smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)Cc2ccccc21 ZINC000736289118 944787537 /nfs/dbraw/zinc/78/75/37/944787537.db2.gz JQNDDHFXVWBJOD-ZDUSSCGKSA-N 1 2 342.406 3.539 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153248902 1125459811 /nfs/dbraw/zinc/45/98/11/1125459811.db2.gz LDYMXDDSBKSZOK-WMZOPIPTSA-N 1 2 334.508 3.936 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000620132417 1125480189 /nfs/dbraw/zinc/48/01/89/1125480189.db2.gz CERSRCUBCLBMQI-CABCVRRESA-N 1 2 335.394 3.706 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000620132417 1125480194 /nfs/dbraw/zinc/48/01/94/1125480194.db2.gz CERSRCUBCLBMQI-CABCVRRESA-N 1 2 335.394 3.706 20 0 EHADLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000620132420 1125480353 /nfs/dbraw/zinc/48/03/53/1125480353.db2.gz CERSRCUBCLBMQI-LSDHHAIUSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000620132420 1125480356 /nfs/dbraw/zinc/48/03/56/1125480356.db2.gz CERSRCUBCLBMQI-LSDHHAIUSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(Br)c(F)c3)ccc2[nH+]1 ZINC000339269641 1014134884 /nfs/dbraw/zinc/13/48/84/1014134884.db2.gz VWPKLXLIJYGXBU-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CCCc1c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)[nH]c(C)c1C(C)=O ZINC000339273316 1014139820 /nfs/dbraw/zinc/13/98/20/1014139820.db2.gz PIPNPQSHROZTDP-UHFFFAOYSA-N 1 2 338.411 3.687 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)[C@@H](C)CO1 ZINC000274511137 1014162291 /nfs/dbraw/zinc/16/22/91/1014162291.db2.gz VJIWDSJRCVEZEF-BBRMVZONSA-N 1 2 335.398 3.628 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)[C@@H](C)CO1 ZINC000274511137 1014162293 /nfs/dbraw/zinc/16/22/93/1014162293.db2.gz VJIWDSJRCVEZEF-BBRMVZONSA-N 1 2 335.398 3.628 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC1 ZINC000339290350 1014167697 /nfs/dbraw/zinc/16/76/97/1014167697.db2.gz NCRHUUSXBGXZDX-MRXNPFEDSA-N 1 2 332.488 3.553 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC1 ZINC000339290350 1014167699 /nfs/dbraw/zinc/16/76/99/1014167699.db2.gz NCRHUUSXBGXZDX-MRXNPFEDSA-N 1 2 332.488 3.553 20 0 EHADLO O=C(COC1CCCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568897 1014171037 /nfs/dbraw/zinc/17/10/37/1014171037.db2.gz VKNAMUCZCVJXPG-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000121246409 1014195198 /nfs/dbraw/zinc/19/51/98/1014195198.db2.gz SOCQLTPZEPFOEP-NSHDSACASA-N 1 2 325.478 3.536 20 0 EHADLO CCCCCCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000728183260 1014228155 /nfs/dbraw/zinc/22/81/55/1014228155.db2.gz HUNZZXNMPMRTPB-LJQANCHMSA-N 1 2 346.515 3.706 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000339330536 1014228435 /nfs/dbraw/zinc/22/84/35/1014228435.db2.gz UKWAOYCOPDPNER-GOSISDBHSA-N 1 2 348.450 3.684 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339382044 1014305686 /nfs/dbraw/zinc/30/56/86/1014305686.db2.gz ZPXRBBMMZGKKGH-CYBMUJFWSA-N 1 2 347.459 3.581 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339382044 1014305696 /nfs/dbraw/zinc/30/56/96/1014305696.db2.gz ZPXRBBMMZGKKGH-CYBMUJFWSA-N 1 2 347.459 3.581 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328498 1014342364 /nfs/dbraw/zinc/34/23/64/1014342364.db2.gz MGQHECXUIASBKD-NCXUSEDFSA-N 1 2 337.467 3.708 20 0 EHADLO CCC1CCC([N@H+](C)Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000748063643 1014451405 /nfs/dbraw/zinc/45/14/05/1014451405.db2.gz LEOCCDDINGWNNI-UHFFFAOYSA-N 1 2 336.427 3.834 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000748063643 1014451410 /nfs/dbraw/zinc/45/14/10/1014451410.db2.gz LEOCCDDINGWNNI-UHFFFAOYSA-N 1 2 336.427 3.834 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(S(C)(=O)=O)c2)s1 ZINC000449023879 1032097372 /nfs/dbraw/zinc/09/73/72/1032097372.db2.gz VTXLUEJMKNLGSX-MRXNPFEDSA-N 1 2 335.494 3.797 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(S(C)(=O)=O)c2)s1 ZINC000449023879 1032097386 /nfs/dbraw/zinc/09/73/86/1032097386.db2.gz VTXLUEJMKNLGSX-MRXNPFEDSA-N 1 2 335.494 3.797 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ncc(Br)cc1F ZINC000858578289 1014607919 /nfs/dbraw/zinc/60/79/19/1014607919.db2.gz UGWQACJNNIRTDQ-JGVFFNPUSA-N 1 2 330.226 3.852 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000536671349 1032102968 /nfs/dbraw/zinc/10/29/68/1032102968.db2.gz DCQAACDOZIALFU-OAQYLSRUSA-N 1 2 333.435 3.824 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000536671349 1032102976 /nfs/dbraw/zinc/10/29/76/1032102976.db2.gz DCQAACDOZIALFU-OAQYLSRUSA-N 1 2 333.435 3.824 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccn1 ZINC000642692586 1014760479 /nfs/dbraw/zinc/76/04/79/1014760479.db2.gz CKHMLPWXTGCWRB-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654996613 1014764787 /nfs/dbraw/zinc/76/47/87/1014764787.db2.gz IZNBQXILKGUJBL-HIFRSBDPSA-N 1 2 335.398 3.502 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728199506 1014953451 /nfs/dbraw/zinc/95/34/51/1014953451.db2.gz VTIDMHPMMBVYMC-CQSZACIVSA-N 1 2 328.378 3.543 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728199506 1014953459 /nfs/dbraw/zinc/95/34/59/1014953459.db2.gz VTIDMHPMMBVYMC-CQSZACIVSA-N 1 2 328.378 3.543 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547673621 1014975131 /nfs/dbraw/zinc/97/51/31/1014975131.db2.gz JKNOZLJYTHXBHC-WMLDXEAASA-N 1 2 346.500 3.736 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(C)c[nH+]1 ZINC000683211434 1015031348 /nfs/dbraw/zinc/03/13/48/1015031348.db2.gz BCJBILXBROVWFX-UHFFFAOYSA-N 1 2 330.256 3.670 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000183268861 1125491817 /nfs/dbraw/zinc/49/18/17/1125491817.db2.gz KSOGVRLGQRHESK-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000183268861 1125491821 /nfs/dbraw/zinc/49/18/21/1125491821.db2.gz KSOGVRLGQRHESK-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000655253918 1015267702 /nfs/dbraw/zinc/26/77/02/1015267702.db2.gz SDQLZQIAKPIBND-LLVKDONJSA-N 1 2 340.254 3.644 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000655253918 1015267713 /nfs/dbraw/zinc/26/77/13/1015267713.db2.gz SDQLZQIAKPIBND-LLVKDONJSA-N 1 2 340.254 3.644 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000471176976 1015290303 /nfs/dbraw/zinc/29/03/03/1015290303.db2.gz IRMRENLVUFDOGN-MRXNPFEDSA-N 1 2 332.350 3.674 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000471176976 1015290310 /nfs/dbraw/zinc/29/03/10/1015290310.db2.gz IRMRENLVUFDOGN-MRXNPFEDSA-N 1 2 332.350 3.674 20 0 EHADLO O=C(NCCC1=CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079009898 1015332438 /nfs/dbraw/zinc/33/24/38/1015332438.db2.gz ALEJHMVPMXJWTL-UHFFFAOYSA-N 1 2 342.487 3.762 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000655341486 1015380647 /nfs/dbraw/zinc/38/06/47/1015380647.db2.gz RLRUIBNOFNMEMO-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430255048 1015385924 /nfs/dbraw/zinc/38/59/24/1015385924.db2.gz HTIRTWWYQVFGRG-QWQRMKEZSA-N 1 2 339.863 3.507 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430255048 1015385935 /nfs/dbraw/zinc/38/59/35/1015385935.db2.gz HTIRTWWYQVFGRG-QWQRMKEZSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000179750766 1015575574 /nfs/dbraw/zinc/57/55/74/1015575574.db2.gz RDLMZFVIHSGAMM-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000179750766 1015575586 /nfs/dbraw/zinc/57/55/86/1015575586.db2.gz RDLMZFVIHSGAMM-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134640055 1015708077 /nfs/dbraw/zinc/70/80/77/1015708077.db2.gz SUUKQDPJZVBMCA-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134640055 1015708082 /nfs/dbraw/zinc/70/80/82/1015708082.db2.gz SUUKQDPJZVBMCA-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000339844268 1015736653 /nfs/dbraw/zinc/73/66/53/1015736653.db2.gz XPZZLFDAIOXGCE-SFHVURJKSA-N 1 2 340.423 3.507 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154837865 1015849514 /nfs/dbraw/zinc/84/95/14/1015849514.db2.gz RIBFJZYZWPASHZ-UHFFFAOYSA-N 1 2 342.487 3.812 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000533517361 1015875891 /nfs/dbraw/zinc/87/58/91/1015875891.db2.gz HPZHKHNNMVKXGP-SFHVURJKSA-N 1 2 340.423 3.790 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000533517361 1015875899 /nfs/dbraw/zinc/87/58/99/1015875899.db2.gz HPZHKHNNMVKXGP-SFHVURJKSA-N 1 2 340.423 3.790 20 0 EHADLO Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)c1 ZINC000180713468 1016029480 /nfs/dbraw/zinc/02/94/80/1016029480.db2.gz SGUSYAJAYLGSTL-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)c1 ZINC000180713468 1016029490 /nfs/dbraw/zinc/02/94/90/1016029490.db2.gz SGUSYAJAYLGSTL-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc3[nH+]ccn32)c(OC2CCC2)n1 ZINC000547771863 1016097287 /nfs/dbraw/zinc/09/72/87/1016097287.db2.gz NMWIULVWAWYEGE-UHFFFAOYSA-N 1 2 336.395 3.530 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c2ccccc2n1 ZINC000047533620 1016148790 /nfs/dbraw/zinc/14/87/90/1016148790.db2.gz IJRRZVFPZOBKLK-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(C(F)F)CCCC1 ZINC000584326782 1032141879 /nfs/dbraw/zinc/14/18/79/1032141879.db2.gz REBNYCJAUWHKTH-UHFFFAOYSA-N 1 2 343.443 3.893 20 0 EHADLO Cc1ncc(C[NH2+][C@H](C)c2ncc(Br)cc2F)s1 ZINC000275268087 1016227018 /nfs/dbraw/zinc/22/70/18/1016227018.db2.gz BHLAALAWXXNGHY-SSDOTTSWSA-N 1 2 330.226 3.599 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115561360 1016381976 /nfs/dbraw/zinc/38/19/76/1016381976.db2.gz RYIRGMDCNSIZAL-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115561360 1016381989 /nfs/dbraw/zinc/38/19/89/1016381989.db2.gz RYIRGMDCNSIZAL-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1Br ZINC000315895685 1121518146 /nfs/dbraw/zinc/51/81/46/1121518146.db2.gz BWPKKGWXHJOMOC-SNVBAGLBSA-N 1 2 338.167 3.929 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1Br ZINC000315895685 1121518152 /nfs/dbraw/zinc/51/81/52/1121518152.db2.gz BWPKKGWXHJOMOC-SNVBAGLBSA-N 1 2 338.167 3.929 20 0 EHADLO COC(=O)C[C@H](c1cc[nH+]c(N2CC3(C2)CCCCC3)c1)C1CC1 ZINC001167180407 1016493030 /nfs/dbraw/zinc/49/30/30/1016493030.db2.gz RAAFHQIASHHIPA-KRWDZBQOSA-N 1 2 328.456 3.909 20 0 EHADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCCc1cccc(Cl)c1 ZINC001167178563 1016487516 /nfs/dbraw/zinc/48/75/16/1016487516.db2.gz DUHYGNBJUMQSNL-INIZCTEOSA-N 1 2 341.904 3.643 20 0 EHADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC001167178563 1016487534 /nfs/dbraw/zinc/48/75/34/1016487534.db2.gz DUHYGNBJUMQSNL-INIZCTEOSA-N 1 2 341.904 3.643 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000361285151 1016496138 /nfs/dbraw/zinc/49/61/38/1016496138.db2.gz BYRRHQASNKULCB-INIZCTEOSA-N 1 2 327.827 3.669 20 0 EHADLO COCC1(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000361285151 1016496148 /nfs/dbraw/zinc/49/61/48/1016496148.db2.gz BYRRHQASNKULCB-INIZCTEOSA-N 1 2 327.827 3.669 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c2ccccc12 ZINC000376565646 1016496257 /nfs/dbraw/zinc/49/62/57/1016496257.db2.gz JDPPIHPZTLLYGU-UHFFFAOYSA-N 1 2 349.409 3.773 20 0 EHADLO O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000177989045 1016511584 /nfs/dbraw/zinc/51/15/84/1016511584.db2.gz TWNSMNOIDNTXAA-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000430375608 1016534998 /nfs/dbraw/zinc/53/49/98/1016534998.db2.gz YMGFXDRJTTUFOA-KBPBESRZSA-N 1 2 348.516 3.805 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000430375608 1016535015 /nfs/dbraw/zinc/53/50/15/1016535015.db2.gz YMGFXDRJTTUFOA-KBPBESRZSA-N 1 2 348.516 3.805 20 0 EHADLO Clc1ccc2c(CCNc3cc(N4CCCC4)nc[nH+]3)c[nH]c2c1 ZINC000683385828 1016548817 /nfs/dbraw/zinc/54/88/17/1016548817.db2.gz CSSOWIQQLJCMAE-UHFFFAOYSA-N 1 2 341.846 3.866 20 0 EHADLO Clc1ccc2c(CCNc3cc(N4CCCC4)[nH+]cn3)c[nH]c2c1 ZINC000683385828 1016548830 /nfs/dbraw/zinc/54/88/30/1016548830.db2.gz CSSOWIQQLJCMAE-UHFFFAOYSA-N 1 2 341.846 3.866 20 0 EHADLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140081379 1016545854 /nfs/dbraw/zinc/54/58/54/1016545854.db2.gz OGFMNDZLIRUUCC-CYBMUJFWSA-N 1 2 327.808 3.572 20 0 EHADLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140081379 1016545863 /nfs/dbraw/zinc/54/58/63/1016545863.db2.gz OGFMNDZLIRUUCC-CYBMUJFWSA-N 1 2 327.808 3.572 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4CCCC[C@H]4C3)cn2c1 ZINC000178315475 1016593373 /nfs/dbraw/zinc/59/33/73/1016593373.db2.gz SHUTXILGSZZSCX-HOTGVXAUSA-N 1 2 343.496 3.525 20 0 EHADLO C[C@H]1C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCCO1 ZINC000340185112 1016637682 /nfs/dbraw/zinc/63/76/82/1016637682.db2.gz PGXIKGJARLJUOV-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCCO1 ZINC000340185112 1016637688 /nfs/dbraw/zinc/63/76/88/1016637688.db2.gz PGXIKGJARLJUOV-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000430396778 1016655573 /nfs/dbraw/zinc/65/55/73/1016655573.db2.gz UKLKIOHFYWPBNE-NDXORKPFSA-N 1 2 349.478 3.738 20 0 EHADLO Cc1ccc2c(CC[NH2+][C@@H](c3cccs3)c3nnc[nH]3)c[nH]c2c1 ZINC000340217766 1016715931 /nfs/dbraw/zinc/71/59/31/1016715931.db2.gz RNHHKRUIGLPGQB-KRWDZBQOSA-N 1 2 337.452 3.578 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000275422209 1016738909 /nfs/dbraw/zinc/73/89/09/1016738909.db2.gz ZRQDYGCVICIZDX-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000376601072 1016779722 /nfs/dbraw/zinc/77/97/22/1016779722.db2.gz XHVFWKULURMNOH-MRXNPFEDSA-N 1 2 328.460 3.653 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000430406066 1016811765 /nfs/dbraw/zinc/81/17/65/1016811765.db2.gz UMFOVFNEKVUEFU-GKCIPKSASA-N 1 2 349.409 3.677 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000892697083 1016845046 /nfs/dbraw/zinc/84/50/46/1016845046.db2.gz ROOVNBFQOTUNMU-HZPDHXFCSA-N 1 2 349.427 3.684 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2F)c1 ZINC000120644795 1016896567 /nfs/dbraw/zinc/89/65/67/1016896567.db2.gz HTZIDXLBUSMJIA-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2F)c1 ZINC000120644795 1016896585 /nfs/dbraw/zinc/89/65/85/1016896585.db2.gz HTZIDXLBUSMJIA-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1O ZINC000340327050 1016950982 /nfs/dbraw/zinc/95/09/82/1016950982.db2.gz OYOPNFKSYUBWIY-MRXNPFEDSA-N 1 2 330.815 3.567 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1O ZINC000340327050 1016950990 /nfs/dbraw/zinc/95/09/90/1016950990.db2.gz OYOPNFKSYUBWIY-MRXNPFEDSA-N 1 2 330.815 3.567 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1c(F)cccc1F)C2 ZINC000376630370 1016958071 /nfs/dbraw/zinc/95/80/71/1016958071.db2.gz ZYLCDCMICONHSJ-RYUDHWBXSA-N 1 2 347.409 3.794 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1c(F)cccc1F)CC2 ZINC000376630370 1016958085 /nfs/dbraw/zinc/95/80/85/1016958085.db2.gz ZYLCDCMICONHSJ-RYUDHWBXSA-N 1 2 347.409 3.794 20 0 EHADLO Cc1cncnc1OC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001203413162 1017023625 /nfs/dbraw/zinc/02/36/25/1017023625.db2.gz RFUKEJDDPIXRAX-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183400959 1032168165 /nfs/dbraw/zinc/16/81/65/1032168165.db2.gz MZFYEWWSOJEAEV-PCCBWWKXSA-N 1 2 334.394 3.558 20 0 EHADLO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]Cc1cscn1 ZINC000449109247 1032187824 /nfs/dbraw/zinc/18/78/24/1032187824.db2.gz VXHYLSLZTYBIPN-LBPRGKRZSA-N 1 2 327.222 3.822 20 0 EHADLO Cn1nccc1C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183704756 1032197000 /nfs/dbraw/zinc/19/70/00/1032197000.db2.gz VTFCSLGYEGWTQI-MRXNPFEDSA-N 1 2 346.228 3.655 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)sc1C ZINC000080652361 1032224549 /nfs/dbraw/zinc/22/45/49/1032224549.db2.gz ZGEDFVPWYQQWOL-OAHLLOKOSA-N 1 2 333.432 3.502 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)sc1C ZINC000080652361 1032224563 /nfs/dbraw/zinc/22/45/63/1032224563.db2.gz ZGEDFVPWYQQWOL-OAHLLOKOSA-N 1 2 333.432 3.502 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1nnc2ccccn21 ZINC000183824811 1032230357 /nfs/dbraw/zinc/23/03/57/1032230357.db2.gz BGFBECZIAHWYOH-HNNXBMFYSA-N 1 2 342.830 3.695 20 0 EHADLO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183858157 1032235078 /nfs/dbraw/zinc/23/50/78/1032235078.db2.gz NBCQWTGTHVKQST-KRWDZBQOSA-N 1 2 340.471 3.741 20 0 EHADLO COC[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C)o1 ZINC000449174418 1032266507 /nfs/dbraw/zinc/26/65/07/1032266507.db2.gz HLTOKPGMTPDQBT-CHWSQXEVSA-N 1 2 325.330 3.970 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@H]1SC ZINC000459554147 1032272379 /nfs/dbraw/zinc/27/23/79/1032272379.db2.gz CVYQPHGJPXYVSG-KZNAEPCWSA-N 1 2 331.485 3.810 20 0 EHADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459569494 1032294689 /nfs/dbraw/zinc/29/46/89/1032294689.db2.gz KWOGEPDHBHKATR-UKRRQHHQSA-N 1 2 340.389 3.671 20 0 EHADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459569494 1032294701 /nfs/dbraw/zinc/29/47/01/1032294701.db2.gz KWOGEPDHBHKATR-UKRRQHHQSA-N 1 2 340.389 3.671 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000184637904 1032312387 /nfs/dbraw/zinc/31/23/87/1032312387.db2.gz DCQDOQHQGVMNDT-MRXNPFEDSA-N 1 2 345.512 3.809 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1nc2ccccc2n1C(F)F ZINC000528464922 1032332455 /nfs/dbraw/zinc/33/24/55/1032332455.db2.gz HIRSCNKYXOXAMP-LLVKDONJSA-N 1 2 349.356 3.914 20 0 EHADLO Cc1csc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000081647605 1032341008 /nfs/dbraw/zinc/34/10/08/1032341008.db2.gz RFFQZEHEQZREBF-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO Cc1csc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000081647605 1032341017 /nfs/dbraw/zinc/34/10/17/1032341017.db2.gz RFFQZEHEQZREBF-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343775544 1032344181 /nfs/dbraw/zinc/34/41/81/1032344181.db2.gz WZAKRJWRAOEVRH-ZDUSSCGKSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449254179 1032359998 /nfs/dbraw/zinc/35/99/98/1032359998.db2.gz WKVUMYAOROUKBI-OAHLLOKOSA-N 1 2 340.496 3.855 20 0 EHADLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449254179 1032360001 /nfs/dbraw/zinc/36/00/01/1032360001.db2.gz WKVUMYAOROUKBI-OAHLLOKOSA-N 1 2 340.496 3.855 20 0 EHADLO COc1cc2c(c(C[NH+]3CC(C)(CC(F)(F)F)C3)c1)O[C@H](C)C2 ZINC000459640206 1032360679 /nfs/dbraw/zinc/36/06/79/1032360679.db2.gz PNSOHIUWYPNZII-LLVKDONJSA-N 1 2 329.362 3.793 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000528510488 1032387227 /nfs/dbraw/zinc/38/72/27/1032387227.db2.gz VDNPMSDFARBXQF-HIFRSBDPSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000528510488 1032387237 /nfs/dbraw/zinc/38/72/37/1032387237.db2.gz VDNPMSDFARBXQF-HIFRSBDPSA-N 1 2 326.362 3.634 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252652682 1032395058 /nfs/dbraw/zinc/39/50/58/1032395058.db2.gz FDAQGPBAEBDZCZ-IKGGRYGDSA-N 1 2 346.519 3.599 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1csc(-c2ncccn2)n1)CC1CC1 ZINC000084137959 1032417069 /nfs/dbraw/zinc/41/70/69/1032417069.db2.gz LYJXXLZNEDLCBL-UHFFFAOYSA-N 1 2 342.390 3.765 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1csc(-c2ncccn2)n1)CC1CC1 ZINC000084137959 1032417078 /nfs/dbraw/zinc/41/70/78/1032417078.db2.gz LYJXXLZNEDLCBL-UHFFFAOYSA-N 1 2 342.390 3.765 20 0 EHADLO CC(C)c1cc(C[NH2+]Cc2cccc(Br)c2F)on1 ZINC000648452161 1032426124 /nfs/dbraw/zinc/42/61/24/1032426124.db2.gz JLINEBPZYUITTO-UHFFFAOYSA-N 1 2 327.197 3.989 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459730525 1032434777 /nfs/dbraw/zinc/43/47/77/1032434777.db2.gz KMURCPOJODBRDJ-UHFFFAOYSA-N 1 2 348.805 3.832 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459730525 1032434786 /nfs/dbraw/zinc/43/47/86/1032434786.db2.gz KMURCPOJODBRDJ-UHFFFAOYSA-N 1 2 348.805 3.832 20 0 EHADLO c1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)n(C2CCCC2)n1 ZINC000449310894 1032447024 /nfs/dbraw/zinc/44/70/24/1032447024.db2.gz IYCKIJXRRVLDTB-UHFFFAOYSA-N 1 2 335.455 3.533 20 0 EHADLO OC1CCC2(CC1)CC[NH+](Cc1ncc(C(F)(F)F)s1)CC2 ZINC000449367980 1032482640 /nfs/dbraw/zinc/48/26/40/1032482640.db2.gz AVNZRXGJOISGIK-UHFFFAOYSA-N 1 2 334.407 3.679 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)Cc1nnc2n1CCC2 ZINC000085899293 1032480555 /nfs/dbraw/zinc/48/05/55/1032480555.db2.gz XNGSCJJTOLQNMY-UHFFFAOYSA-N 1 2 326.488 3.771 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085899293 1032480562 /nfs/dbraw/zinc/48/05/62/1032480562.db2.gz XNGSCJJTOLQNMY-UHFFFAOYSA-N 1 2 326.488 3.771 20 0 EHADLO CCc1noc(CC)c1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000088742009 1032509586 /nfs/dbraw/zinc/50/95/86/1032509586.db2.gz MUFDLKFDEINWEV-UHFFFAOYSA-N 1 2 348.410 3.540 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1F ZINC000537166492 1032545265 /nfs/dbraw/zinc/54/52/65/1032545265.db2.gz LQZVXKSPQHOMLJ-IBGZPJMESA-N 1 2 327.378 3.886 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000449422701 1032559136 /nfs/dbraw/zinc/55/91/36/1032559136.db2.gz NGGYWEVPMPATSB-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000449422701 1032559141 /nfs/dbraw/zinc/55/91/41/1032559141.db2.gz NGGYWEVPMPATSB-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccnc1Cl ZINC000090942185 1032581599 /nfs/dbraw/zinc/58/15/99/1032581599.db2.gz KAEXZQFCMJTOQN-JTQLQIEISA-N 1 2 327.762 3.625 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000091026632 1032619060 /nfs/dbraw/zinc/61/90/60/1032619060.db2.gz OYKLYYHCKFGXPW-MRXNPFEDSA-N 1 2 348.397 3.545 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000091026632 1032619063 /nfs/dbraw/zinc/61/90/63/1032619063.db2.gz OYKLYYHCKFGXPW-MRXNPFEDSA-N 1 2 348.397 3.545 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCc2sccc2C1 ZINC000592982026 1032649761 /nfs/dbraw/zinc/64/97/61/1032649761.db2.gz AJMWAQMTVQJFOD-LBPRGKRZSA-N 1 2 325.437 3.906 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCc2sccc2C1 ZINC000592982026 1032649770 /nfs/dbraw/zinc/64/97/70/1032649770.db2.gz AJMWAQMTVQJFOD-LBPRGKRZSA-N 1 2 325.437 3.906 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC000593041510 1032675813 /nfs/dbraw/zinc/67/58/13/1032675813.db2.gz VRMCAEQHPRIJHX-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC000593041510 1032675821 /nfs/dbraw/zinc/67/58/21/1032675821.db2.gz VRMCAEQHPRIJHX-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000606431852 1032677947 /nfs/dbraw/zinc/67/79/47/1032677947.db2.gz TVBWWROYNVULDJ-IBGZPJMESA-N 1 2 344.430 3.945 20 0 EHADLO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000376803255 1017123002 /nfs/dbraw/zinc/12/30/02/1017123002.db2.gz VOPGKUQTAUDILS-OTWHNJEPSA-N 1 2 348.450 3.730 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000547883750 1017182386 /nfs/dbraw/zinc/18/23/86/1017182386.db2.gz CMHNNIBZGLWPCV-NVXWUHKLSA-N 1 2 329.444 3.981 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000188478143 1017187342 /nfs/dbraw/zinc/18/73/42/1017187342.db2.gz FRGQOPSLJGLROG-GOSISDBHSA-N 1 2 325.412 3.531 20 0 EHADLO CSc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)co1 ZINC001125357347 1017195267 /nfs/dbraw/zinc/19/52/67/1017195267.db2.gz BGAJVSRYXLKPRQ-UHFFFAOYSA-N 1 2 343.408 3.529 20 0 EHADLO COc1ccnc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000683455601 1017224830 /nfs/dbraw/zinc/22/48/30/1017224830.db2.gz WOQKCSQOBBFNGK-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639141151 1017364377 /nfs/dbraw/zinc/36/43/77/1017364377.db2.gz DWDSDWIYYLPMHN-WMZOPIPTSA-N 1 2 344.434 3.851 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000085301713 1017449578 /nfs/dbraw/zinc/44/95/78/1017449578.db2.gz QYSKDASTPGIVID-UHFFFAOYSA-N 1 2 335.407 3.898 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C(F)F)c1 ZINC000655724110 1017456617 /nfs/dbraw/zinc/45/66/17/1017456617.db2.gz VRSZSQUKZWJIOI-FRFSOERESA-N 1 2 327.415 3.921 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000151974406 1017469402 /nfs/dbraw/zinc/46/94/02/1017469402.db2.gz OKOQHSLGGMJVBR-ROUUACIJSA-N 1 2 343.515 3.893 20 0 EHADLO Cc1cccc(Oc2ncccc2NC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC000056484132 1017521753 /nfs/dbraw/zinc/52/17/53/1017521753.db2.gz FFQPJUWDFUZMEO-HNNXBMFYSA-N 1 2 336.395 3.887 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000377274134 1017576085 /nfs/dbraw/zinc/57/60/85/1017576085.db2.gz WCRQUGZQXMPAMK-UHFFFAOYSA-N 1 2 325.456 3.872 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000377274134 1017576093 /nfs/dbraw/zinc/57/60/93/1017576093.db2.gz WCRQUGZQXMPAMK-UHFFFAOYSA-N 1 2 325.456 3.872 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795476 1017628416 /nfs/dbraw/zinc/62/84/16/1017628416.db2.gz CHIWRRZYSMEECJ-LSDHHAIUSA-N 1 2 334.851 3.941 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000574152340 1032713289 /nfs/dbraw/zinc/71/32/89/1032713289.db2.gz SINNBAHGQLAJRN-IHPCNDPISA-N 1 2 336.414 3.817 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000574152340 1032713296 /nfs/dbraw/zinc/71/32/96/1032713296.db2.gz SINNBAHGQLAJRN-IHPCNDPISA-N 1 2 336.414 3.817 20 0 EHADLO Clc1cccc([C@@H]2CC[C@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)c1 ZINC000655797701 1017633164 /nfs/dbraw/zinc/63/31/64/1017633164.db2.gz RRKAUEJFNXEUSE-VNQPRFMTSA-N 1 2 346.862 3.736 20 0 EHADLO Clc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)c1 ZINC000655797698 1017633193 /nfs/dbraw/zinc/63/31/93/1017633193.db2.gz RRKAUEJFNXEUSE-BMFZPTHFSA-N 1 2 346.862 3.736 20 0 EHADLO CC(C)C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000655796939 1017635552 /nfs/dbraw/zinc/63/55/52/1017635552.db2.gz KSUWODOKFGKXLL-HZPDHXFCSA-N 1 2 332.423 3.672 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000655797082 1017635915 /nfs/dbraw/zinc/63/59/15/1017635915.db2.gz LANKLRXQMRFPCL-RDTXWAMCSA-N 1 2 349.438 3.569 20 0 EHADLO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655798788 1017638031 /nfs/dbraw/zinc/63/80/31/1017638031.db2.gz YKTJKFAIWPYNGA-YOEHRIQHSA-N 1 2 344.459 3.542 20 0 EHADLO c1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000325525737 1017646286 /nfs/dbraw/zinc/64/62/86/1017646286.db2.gz KLFWDMNOFNAZJF-SFHVURJKSA-N 1 2 330.472 3.817 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000579948602 1017657948 /nfs/dbraw/zinc/65/79/48/1017657948.db2.gz OUEHVKRXFJIKHD-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000579948602 1017657957 /nfs/dbraw/zinc/65/79/57/1017657957.db2.gz OUEHVKRXFJIKHD-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2cc(=O)c(O)co2)CC1 ZINC000528739961 1032717107 /nfs/dbraw/zinc/71/71/07/1032717107.db2.gz DAYICEHKRJRNKV-UHFFFAOYSA-N 1 2 331.799 3.597 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2cc(=O)c(O)co2)CC1 ZINC000528739961 1032717117 /nfs/dbraw/zinc/71/71/17/1032717117.db2.gz DAYICEHKRJRNKV-UHFFFAOYSA-N 1 2 331.799 3.597 20 0 EHADLO C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000892912538 1017700462 /nfs/dbraw/zinc/70/04/62/1017700462.db2.gz VCZWBFIHMIDIFY-WFASDCNBSA-N 1 2 343.818 3.674 20 0 EHADLO CCc1cc(NCc2nnc(-c3ccccc3)s2)nc(CC)[nH+]1 ZINC000892912722 1017700823 /nfs/dbraw/zinc/70/08/23/1017700823.db2.gz XHRRFKBIBKMTHN-UHFFFAOYSA-N 1 2 325.441 3.732 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000377382232 1017724866 /nfs/dbraw/zinc/72/48/66/1017724866.db2.gz KPIPQLLHANDDOD-DYZYQPBXSA-N 1 2 331.778 3.739 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000349240577 1017726062 /nfs/dbraw/zinc/72/60/62/1017726062.db2.gz MOBXSWAUKVAWBC-DTWKUNHWSA-N 1 2 328.199 3.659 20 0 EHADLO Cc1c[nH+]cn1CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000528744860 1032723260 /nfs/dbraw/zinc/72/32/60/1032723260.db2.gz MQSQFEDIRYPKKF-UHFFFAOYSA-N 1 2 337.427 3.754 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000134953664 1017812001 /nfs/dbraw/zinc/81/20/01/1017812001.db2.gz DIOHTPDOSWKZQP-HXUWFJFHSA-N 1 2 331.419 3.623 20 0 EHADLO C[C@H]([NH2+]CCSc1cc(Cl)ccc1Cl)c1ncn(C)n1 ZINC000275645087 1017884127 /nfs/dbraw/zinc/88/41/27/1017884127.db2.gz WOKQJQSIMJFOHO-VIFPVBQESA-N 1 2 331.272 3.565 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)no1 ZINC000340460387 1017919873 /nfs/dbraw/zinc/91/98/73/1017919873.db2.gz MDYAGCCCOQSVRW-GRDNDAEWSA-N 1 2 345.418 3.525 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C(\C)c2ccc(F)cc2)c1C ZINC000056696077 1017932616 /nfs/dbraw/zinc/93/26/16/1017932616.db2.gz YEGMJAMNHMLYRA-FMIVXFBMSA-N 1 2 328.387 3.566 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177635199 1017941717 /nfs/dbraw/zinc/94/17/17/1017941717.db2.gz LCNDNSLYSOFTNK-MRXNPFEDSA-N 1 2 347.846 3.593 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177635199 1017941724 /nfs/dbraw/zinc/94/17/24/1017941724.db2.gz LCNDNSLYSOFTNK-MRXNPFEDSA-N 1 2 347.846 3.593 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ncsc1C(C)C)C2 ZINC000579977335 1017947613 /nfs/dbraw/zinc/94/76/13/1017947613.db2.gz BBGNFFABHULBLP-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ncsc1C(C)C)CC2 ZINC000579977335 1017947626 /nfs/dbraw/zinc/94/76/26/1017947626.db2.gz BBGNFFABHULBLP-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO FC(F)n1ccnc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340471727 1017978090 /nfs/dbraw/zinc/97/80/90/1017978090.db2.gz XYFJZJSAJGLYDI-UHFFFAOYSA-N 1 2 344.365 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2ccccc2F)c1C ZINC000170998394 1017988687 /nfs/dbraw/zinc/98/86/87/1017988687.db2.gz KIAKONPABWSALW-CYBMUJFWSA-N 1 2 330.403 3.608 20 0 EHADLO CCSc1cccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000644517605 1018012793 /nfs/dbraw/zinc/01/27/93/1018012793.db2.gz XWNHOERGHKCMHN-MRXNPFEDSA-N 1 2 344.484 3.542 20 0 EHADLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)CCCCF ZINC000580004645 1018019737 /nfs/dbraw/zinc/01/97/37/1018019737.db2.gz YZLUCVMHOZDMIJ-UHFFFAOYSA-N 1 2 342.480 3.867 20 0 EHADLO CC(C)[C@H]1C[C@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccccc21 ZINC000683692635 1018039273 /nfs/dbraw/zinc/03/92/73/1018039273.db2.gz JWQKTNSFENYCLS-MOPGFXCFSA-N 1 2 325.456 3.807 20 0 EHADLO Cc1ccc(C2(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCC2)cc1 ZINC000644559232 1018045171 /nfs/dbraw/zinc/04/51/71/1018045171.db2.gz FKMIQPFZKKHQJU-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795064 1018048689 /nfs/dbraw/zinc/04/86/89/1018048689.db2.gz LEZYQWLZGWKVHC-YJYMSZOUSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795064 1018048704 /nfs/dbraw/zinc/04/87/04/1018048704.db2.gz LEZYQWLZGWKVHC-YJYMSZOUSA-N 1 2 343.377 3.734 20 0 EHADLO Clc1ccc(/C=C/C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000511526636 1018068396 /nfs/dbraw/zinc/06/83/96/1018068396.db2.gz PWOSDITVSYJNBW-OWOJBTEDSA-N 1 2 333.888 3.628 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)nn1 ZINC000377625520 1018079859 /nfs/dbraw/zinc/07/98/59/1018079859.db2.gz MUURLBGZVJLEIB-FOIQADDNSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)nn1 ZINC000377625520 1018079877 /nfs/dbraw/zinc/07/98/77/1018079877.db2.gz MUURLBGZVJLEIB-FOIQADDNSA-N 1 2 333.439 3.554 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(F)F)cc3F)n2)C1 ZINC000655998458 1018159275 /nfs/dbraw/zinc/15/92/75/1018159275.db2.gz YHTRVIFYLPPHRD-ZDUSSCGKSA-N 1 2 341.333 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(F)F)cc3F)n2)C1 ZINC000655998458 1018159285 /nfs/dbraw/zinc/15/92/85/1018159285.db2.gz YHTRVIFYLPPHRD-ZDUSSCGKSA-N 1 2 341.333 3.595 20 0 EHADLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000377673761 1018162536 /nfs/dbraw/zinc/16/25/36/1018162536.db2.gz ISDIYGRVTLRWDF-AWEZNQCLSA-N 1 2 335.473 3.662 20 0 EHADLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000377673761 1018162545 /nfs/dbraw/zinc/16/25/45/1018162545.db2.gz ISDIYGRVTLRWDF-AWEZNQCLSA-N 1 2 335.473 3.662 20 0 EHADLO O=C(COc1ccc(Cl)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514861 1018209696 /nfs/dbraw/zinc/20/96/96/1018209696.db2.gz RZTLBZRJXYSTDH-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1C ZINC000893029283 1018214740 /nfs/dbraw/zinc/21/47/40/1018214740.db2.gz RMAAPNKDGJAGIE-UHFFFAOYSA-N 1 2 344.358 3.547 20 0 EHADLO C[C@H](Cc1nc(CCCc2c(F)cccc2F)no1)n1cc[nH+]c1 ZINC000656031125 1018286751 /nfs/dbraw/zinc/28/67/51/1018286751.db2.gz AUXKXIATMXXKDF-GFCCVEGCSA-N 1 2 332.354 3.523 20 0 EHADLO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000377732881 1018287431 /nfs/dbraw/zinc/28/74/31/1018287431.db2.gz QALZFQZZHWHXOV-HNNXBMFYSA-N 1 2 346.793 3.778 20 0 EHADLO Fc1cccc(-c2cnc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000377732881 1018287442 /nfs/dbraw/zinc/28/74/42/1018287442.db2.gz QALZFQZZHWHXOV-HNNXBMFYSA-N 1 2 346.793 3.778 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)sc1C ZINC000893063904 1018320354 /nfs/dbraw/zinc/32/03/54/1018320354.db2.gz GESAIHOVEDFBDI-UHFFFAOYSA-N 1 2 344.406 3.530 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)s2)cc1 ZINC000377775846 1018349413 /nfs/dbraw/zinc/34/94/13/1018349413.db2.gz IDEOJDJRRUTPIM-DOTOQJQBSA-N 1 2 341.480 3.739 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)s2)cc1 ZINC000377775846 1018349423 /nfs/dbraw/zinc/34/94/23/1018349423.db2.gz IDEOJDJRRUTPIM-DOTOQJQBSA-N 1 2 341.480 3.739 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000278819525 1018367915 /nfs/dbraw/zinc/36/79/15/1018367915.db2.gz CDOLPGSCYKXRDL-DCAQKATOSA-N 1 2 349.422 3.602 20 0 EHADLO CCc1csc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)n1 ZINC001299216193 1032762621 /nfs/dbraw/zinc/76/26/21/1032762621.db2.gz LEOOGZDVKKKPSP-XBXGTLAGSA-N 1 2 330.457 3.710 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606580206 1032764615 /nfs/dbraw/zinc/76/46/15/1032764615.db2.gz DYOAAWILNBRUTA-FQEVSTJZSA-N 1 2 334.423 3.920 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000549343807 1018440993 /nfs/dbraw/zinc/44/09/93/1018440993.db2.gz ZURVBWOUJRUICE-UHFFFAOYSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000549343807 1018440999 /nfs/dbraw/zinc/44/09/99/1018440999.db2.gz ZURVBWOUJRUICE-UHFFFAOYSA-N 1 2 325.456 3.838 20 0 EHADLO c1ccc(NCc2ccc3cnccc3c2)c(C[NH+]2CCOCC2)c1 ZINC000683771545 1018468107 /nfs/dbraw/zinc/46/81/07/1018468107.db2.gz IIANRQQCHRJWTD-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1OC(F)F ZINC000606581608 1032766666 /nfs/dbraw/zinc/76/66/66/1032766666.db2.gz KETRWWFXYUFSMP-NSHDSACASA-N 1 2 346.337 3.818 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(OC(F)F)cc1 ZINC000606583287 1032767514 /nfs/dbraw/zinc/76/75/14/1032767514.db2.gz WADQRHCHMMWAQM-NSHDSACASA-N 1 2 346.337 3.818 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc2ccccc2[nH]1 ZINC000606583178 1032767979 /nfs/dbraw/zinc/76/79/79/1032767979.db2.gz RZSIWZDHAGNVQP-KRWDZBQOSA-N 1 2 348.410 3.729 20 0 EHADLO CC(C)Cc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cn1 ZINC000893104306 1018504671 /nfs/dbraw/zinc/50/46/71/1018504671.db2.gz WETSRHYMDZHELR-INIZCTEOSA-N 1 2 335.455 3.712 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CCO2)c1 ZINC000377881963 1018509513 /nfs/dbraw/zinc/50/95/13/1018509513.db2.gz BJBVLFZQLLQPCI-HOTGVXAUSA-N 1 2 343.345 3.651 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CCO2)c1 ZINC000377881963 1018509523 /nfs/dbraw/zinc/50/95/23/1018509523.db2.gz BJBVLFZQLLQPCI-HOTGVXAUSA-N 1 2 343.345 3.651 20 0 EHADLO CCCOc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000340586438 1018587725 /nfs/dbraw/zinc/58/77/25/1018587725.db2.gz ZVEUGXGVHDWUJK-UHFFFAOYSA-N 1 2 349.434 3.650 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000606642233 1032775028 /nfs/dbraw/zinc/77/50/28/1032775028.db2.gz RTROXSCXYADFLP-AEFFLSMTSA-N 1 2 344.503 3.661 20 0 EHADLO COc1cc(Nc2ccc(N3CCSCC3)c(F)c2)cc(C)[nH+]1 ZINC001210780966 1018677049 /nfs/dbraw/zinc/67/70/49/1018677049.db2.gz UGKXWQFYVSPGRV-UHFFFAOYSA-N 1 2 333.432 3.835 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccccn2)cc1 ZINC000894148836 1018715317 /nfs/dbraw/zinc/71/53/17/1018715317.db2.gz QTBPEPGEIXWXTN-FQEVSTJZSA-N 1 2 332.451 3.880 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000052073559 1018722114 /nfs/dbraw/zinc/72/21/14/1018722114.db2.gz ILYUUWLYYXOCAW-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000052073559 1018722126 /nfs/dbraw/zinc/72/21/26/1018722126.db2.gz ILYUUWLYYXOCAW-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)CCC(=O)N2 ZINC000537457854 1032783052 /nfs/dbraw/zinc/78/30/52/1032783052.db2.gz NAHNFPNUSUQGFI-AWEZNQCLSA-N 1 2 336.439 3.740 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1 ZINC000924886938 1018733907 /nfs/dbraw/zinc/73/39/07/1018733907.db2.gz KZFKZZYYDZBFBL-AWEZNQCLSA-N 1 2 343.475 3.564 20 0 EHADLO Cc1ccc(C2CC2)c(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000580181887 1018747120 /nfs/dbraw/zinc/74/71/20/1018747120.db2.gz OARTUNLWRNZXGC-KRWDZBQOSA-N 1 2 327.428 3.704 20 0 EHADLO Cc1ccc(C2CC2)c(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000580181887 1018747139 /nfs/dbraw/zinc/74/71/39/1018747139.db2.gz OARTUNLWRNZXGC-KRWDZBQOSA-N 1 2 327.428 3.704 20 0 EHADLO COc1cccc(OC)c1Oc1ccc(CNc2cccc[nH+]2)cn1 ZINC000052467365 1018807870 /nfs/dbraw/zinc/80/78/70/1018807870.db2.gz FYCCBAGHAAOPLF-UHFFFAOYSA-N 1 2 337.379 3.898 20 0 EHADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000614360960 1018839789 /nfs/dbraw/zinc/83/97/89/1018839789.db2.gz MDDBNIXZPPIXJE-FVQHAEBGSA-N 1 2 343.858 3.611 20 0 EHADLO COc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)c1 ZINC000052162741 1018852514 /nfs/dbraw/zinc/85/25/14/1018852514.db2.gz IMGQPEWIMMKZRM-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO COc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)c1 ZINC000052162741 1018852533 /nfs/dbraw/zinc/85/25/33/1018852533.db2.gz IMGQPEWIMMKZRM-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccccn1 ZINC000052217841 1018875504 /nfs/dbraw/zinc/87/55/04/1018875504.db2.gz RYWYDSFOCMNMHX-QGZVFWFLSA-N 1 2 337.467 3.660 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccccn1 ZINC000052217841 1018875521 /nfs/dbraw/zinc/87/55/21/1018875521.db2.gz RYWYDSFOCMNMHX-QGZVFWFLSA-N 1 2 337.467 3.660 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000429988907 1018912386 /nfs/dbraw/zinc/91/23/86/1018912386.db2.gz KJCUZAFWLFJODZ-LBPRGKRZSA-N 1 2 334.261 3.610 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000429988907 1018912395 /nfs/dbraw/zinc/91/23/95/1018912395.db2.gz KJCUZAFWLFJODZ-LBPRGKRZSA-N 1 2 334.261 3.610 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(C(C)(C)C)CC1 ZINC000476063107 1032794346 /nfs/dbraw/zinc/79/43/46/1032794346.db2.gz KWQCEGDULNXQIA-UHFFFAOYSA-N 1 2 349.425 3.908 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@H]3C)n2)ccc1C ZINC000528771991 1032795956 /nfs/dbraw/zinc/79/59/56/1032795956.db2.gz WCLMBWTXAFXZJK-GFCCVEGCSA-N 1 2 337.370 3.673 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCC(F)(F)C[C@H]3C)n2)ccc1C ZINC000528771991 1032795972 /nfs/dbraw/zinc/79/59/72/1032795972.db2.gz WCLMBWTXAFXZJK-GFCCVEGCSA-N 1 2 337.370 3.673 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001203396504 1019008775 /nfs/dbraw/zinc/00/87/75/1019008775.db2.gz COABNHPTOFXXCH-CQSZACIVSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001203396504 1019008792 /nfs/dbraw/zinc/00/87/92/1019008792.db2.gz COABNHPTOFXXCH-CQSZACIVSA-N 1 2 338.238 3.827 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000025545297 1019052448 /nfs/dbraw/zinc/05/24/48/1019052448.db2.gz JOGXJPUALJMJMD-LBPRGKRZSA-N 1 2 325.250 3.508 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2oc3ccccc3c2C)s1 ZINC000894191057 1019109659 /nfs/dbraw/zinc/10/96/59/1019109659.db2.gz CKMNMMXMQVDTQW-LLVKDONJSA-N 1 2 330.409 3.835 20 0 EHADLO CC[C@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000728982597 1019141460 /nfs/dbraw/zinc/14/14/60/1019141460.db2.gz IPUAGEZMOCHPIJ-AEFFLSMTSA-N 1 2 327.472 3.998 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000683897828 1019149070 /nfs/dbraw/zinc/14/90/70/1019149070.db2.gz GWIHZKVIZVWOOJ-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000683897828 1019149083 /nfs/dbraw/zinc/14/90/83/1019149083.db2.gz GWIHZKVIZVWOOJ-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO C[N@@H+]1CC[C@@H](Nc2nc(C3CC3)ns2)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693623 1032813063 /nfs/dbraw/zinc/81/30/63/1032813063.db2.gz HRIIZHPTDJMEOS-KGLIPLIRSA-N 1 2 336.411 3.551 20 0 EHADLO C[N@H+]1CC[C@@H](Nc2nc(C3CC3)ns2)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693623 1032813073 /nfs/dbraw/zinc/81/30/73/1032813073.db2.gz HRIIZHPTDJMEOS-KGLIPLIRSA-N 1 2 336.411 3.551 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000749796144 1019220664 /nfs/dbraw/zinc/22/06/64/1019220664.db2.gz DJVXNIDTNBZUCC-NSHDSACASA-N 1 2 338.300 3.809 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000749796144 1019220652 /nfs/dbraw/zinc/22/06/52/1019220652.db2.gz DJVXNIDTNBZUCC-NSHDSACASA-N 1 2 338.300 3.809 20 0 EHADLO Brc1ccccc1C1CC[NH+](Cc2cnccn2)CC1 ZINC000580405293 1019305253 /nfs/dbraw/zinc/30/52/53/1019305253.db2.gz LPAQYPBALRIRKH-UHFFFAOYSA-N 1 2 332.245 3.619 20 0 EHADLO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926826 1019314943 /nfs/dbraw/zinc/31/49/43/1019314943.db2.gz RPEIXOQHGWRAHE-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)c2nccn21 ZINC000449572827 1032829051 /nfs/dbraw/zinc/82/90/51/1032829051.db2.gz OFKAJOFGLHABHP-CJNGLKHVSA-N 1 2 330.863 3.932 20 0 EHADLO Fc1ccc(/C=C\C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000255544691 1019423241 /nfs/dbraw/zinc/42/32/41/1019423241.db2.gz JOQJHHVWRXKYOM-PLNGDYQASA-N 1 2 340.442 3.536 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(Br)ccc2C)c[nH+]1 ZINC000396989611 1032831135 /nfs/dbraw/zinc/83/11/35/1032831135.db2.gz ACVIREGYFREQGX-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCn3cccc3[C@H]2C)cn1 ZINC000430001861 1019451656 /nfs/dbraw/zinc/45/16/56/1019451656.db2.gz MZZCRUVRSBZVGM-OAHLLOKOSA-N 1 2 334.423 3.531 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCn3cccc3[C@H]2C)cn1 ZINC000430001861 1019451661 /nfs/dbraw/zinc/45/16/61/1019451661.db2.gz MZZCRUVRSBZVGM-OAHLLOKOSA-N 1 2 334.423 3.531 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(F)cncc1F ZINC000513272566 1019493057 /nfs/dbraw/zinc/49/30/57/1019493057.db2.gz RIAGNPSJHAITGJ-LBPRGKRZSA-N 1 2 347.409 3.947 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000340709106 1019549810 /nfs/dbraw/zinc/54/98/10/1019549810.db2.gz PQBHNHMUPQFDDX-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO COCCSc1ccc([C@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433766579 1019596862 /nfs/dbraw/zinc/59/68/62/1019596862.db2.gz OFFDZBXYFRVIMQ-LBPRGKRZSA-N 1 2 342.468 3.600 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000275916114 1019612814 /nfs/dbraw/zinc/61/28/14/1019612814.db2.gz YJLQCWPOBVKJRC-LLVKDONJSA-N 1 2 341.308 3.587 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)Oc2ccccc2)c1 ZINC000513400781 1019617306 /nfs/dbraw/zinc/61/73/06/1019617306.db2.gz CUWPNUYQZLUVHU-UHFFFAOYSA-N 1 2 349.434 3.768 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000513412204 1019641306 /nfs/dbraw/zinc/64/13/06/1019641306.db2.gz WLMRNCXOPOZHQW-QGZVFWFLSA-N 1 2 340.467 3.583 20 0 EHADLO C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)c2ncnn21 ZINC000664189047 1019719114 /nfs/dbraw/zinc/71/91/14/1019719114.db2.gz WHYALZHVRFEEPH-RNCFNFMXSA-N 1 2 344.216 3.707 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1-c1ccc(F)cc1)C2 ZINC000656275644 1019887094 /nfs/dbraw/zinc/88/70/94/1019887094.db2.gz ROHLSTKNLGHOPE-UHFFFAOYSA-N 1 2 337.398 3.751 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc(F)cc1)C2 ZINC000656275644 1019887107 /nfs/dbraw/zinc/88/71/07/1019887107.db2.gz ROHLSTKNLGHOPE-UHFFFAOYSA-N 1 2 337.398 3.751 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nc(C)no1 ZINC000656278095 1019891261 /nfs/dbraw/zinc/89/12/61/1019891261.db2.gz DYVLNRIOWBHRQS-XFFZJAGNSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nc(C)no1 ZINC000656278095 1019891268 /nfs/dbraw/zinc/89/12/68/1019891268.db2.gz DYVLNRIOWBHRQS-XFFZJAGNSA-N 1 2 325.334 3.932 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000513643766 1019916478 /nfs/dbraw/zinc/91/64/78/1019916478.db2.gz WYMFKFWJIBDCKB-LLVKDONJSA-N 1 2 336.785 3.744 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000513643766 1019916491 /nfs/dbraw/zinc/91/64/91/1019916491.db2.gz WYMFKFWJIBDCKB-LLVKDONJSA-N 1 2 336.785 3.744 20 0 EHADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1cc(Br)cs1 ZINC000339140104 1019926236 /nfs/dbraw/zinc/92/62/36/1019926236.db2.gz LNHIUEPKOYMUNK-UHFFFAOYSA-N 1 2 342.287 3.852 20 0 EHADLO C[N@H+](Cc1cn2ccsc2n1)Cc1cc(Br)cs1 ZINC000339140104 1019926245 /nfs/dbraw/zinc/92/62/45/1019926245.db2.gz LNHIUEPKOYMUNK-UHFFFAOYSA-N 1 2 342.287 3.852 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3cccc(Cl)c3)CC2)c1C ZINC000050448392 1019926319 /nfs/dbraw/zinc/92/63/19/1019926319.db2.gz FRNQKESBXWIMIO-UHFFFAOYSA-N 1 2 344.842 3.708 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000175961754 1019931775 /nfs/dbraw/zinc/93/17/75/1019931775.db2.gz SPPSBWUTOJLGLK-JXFKEZNVSA-N 1 2 346.434 3.775 20 0 EHADLO C[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255723636 1019936756 /nfs/dbraw/zinc/93/67/56/1019936756.db2.gz QORTWGDYHSMBHR-KQQSKNTNSA-N 1 2 332.407 3.500 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nc(N)c3ccccc3n1)[C@@H]2C ZINC000340771296 1019964455 /nfs/dbraw/zinc/96/44/55/1019964455.db2.gz CCQYZCMSYSXWKG-ZIAGYGMSSA-N 1 2 348.450 3.559 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nc(N)c3ccccc3n1)[C@@H]2C ZINC000340771296 1019964465 /nfs/dbraw/zinc/96/44/65/1019964465.db2.gz CCQYZCMSYSXWKG-ZIAGYGMSSA-N 1 2 348.450 3.559 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000280011620 1019968631 /nfs/dbraw/zinc/96/86/31/1019968631.db2.gz WFQHRXOKDVDNBF-PEBXRYMYSA-N 1 2 336.526 3.650 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H]1CSCCS1 ZINC000279995008 1019977765 /nfs/dbraw/zinc/97/77/65/1019977765.db2.gz KYDSYMBQUCJSDI-CYBMUJFWSA-N 1 2 333.482 3.562 20 0 EHADLO CCO[C@@H](c1noc(Cc2cn3cccc(C)c3[nH+]2)n1)c1ccccc1 ZINC000580753590 1019984224 /nfs/dbraw/zinc/98/42/24/1019984224.db2.gz AIJDWTYFXMLLTN-GOSISDBHSA-N 1 2 348.406 3.742 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)c1 ZINC000557614892 1020056061 /nfs/dbraw/zinc/05/60/61/1020056061.db2.gz PQEOSWJRXQIYDK-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000345258748 1020116399 /nfs/dbraw/zinc/11/63/99/1020116399.db2.gz XQZWRSJZQQGMRW-SUMDDJOVSA-N 1 2 325.456 3.794 20 0 EHADLO CC(C)n1ncnc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000280172323 1020125478 /nfs/dbraw/zinc/12/54/78/1020125478.db2.gz YNUOBQQPYFUQIA-UHFFFAOYSA-N 1 2 325.243 3.945 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000528830160 1032880018 /nfs/dbraw/zinc/88/00/18/1032880018.db2.gz RXKYWGRJNNPJNN-FZMZJTMJSA-N 1 2 337.345 3.683 20 0 EHADLO Cc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000345412832 1020228272 /nfs/dbraw/zinc/22/82/72/1020228272.db2.gz KNPMVGRVEABPJF-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345427259 1020241070 /nfs/dbraw/zinc/24/10/70/1020241070.db2.gz XSLOILDZEAFZHS-XLIONFOSSA-N 1 2 329.488 3.608 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606934884 1032886373 /nfs/dbraw/zinc/88/63/73/1032886373.db2.gz CECSHWLIKDSXIE-ZNMIVQPWSA-N 1 2 334.891 3.876 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606934884 1032886388 /nfs/dbraw/zinc/88/63/88/1032886388.db2.gz CECSHWLIKDSXIE-ZNMIVQPWSA-N 1 2 334.891 3.876 20 0 EHADLO O=C(CCCC(F)(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345449982 1020262574 /nfs/dbraw/zinc/26/25/74/1020262574.db2.gz JMNOGKNHTMNBGI-UHFFFAOYSA-N 1 2 343.393 3.658 20 0 EHADLO C[C@@H]1CC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@@H](C)C1 ZINC000345472719 1020284828 /nfs/dbraw/zinc/28/48/28/1020284828.db2.gz ZBZNGBKVBBNWQD-HOTGVXAUSA-N 1 2 343.515 3.998 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234484 1032890298 /nfs/dbraw/zinc/89/02/98/1032890298.db2.gz GGPDFPVBGLSNKE-KKSFZXQISA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234484 1032890313 /nfs/dbraw/zinc/89/03/13/1032890313.db2.gz GGPDFPVBGLSNKE-KKSFZXQISA-N 1 2 337.467 3.650 20 0 EHADLO Clc1cccc(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000345631489 1020404682 /nfs/dbraw/zinc/40/46/82/1020404682.db2.gz GWSYYDZKMOAQLH-UHFFFAOYSA-N 1 2 337.770 3.562 20 0 EHADLO Cc1cnc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)s1 ZINC000581081881 1020411732 /nfs/dbraw/zinc/41/17/32/1020411732.db2.gz GYKPQRYICXUJDH-GFCCVEGCSA-N 1 2 334.832 3.806 20 0 EHADLO O[C@H](C1CC[NH+](Cc2cc(Cl)ccc2F)CC1)C(F)(F)F ZINC000093766654 1032901410 /nfs/dbraw/zinc/90/14/10/1032901410.db2.gz YPIJSRQZCVODOH-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)sc1C ZINC000280538166 1020467827 /nfs/dbraw/zinc/46/78/27/1020467827.db2.gz SVLHVABJICHMCZ-HNNXBMFYSA-N 1 2 346.452 3.584 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2)sc1C ZINC000280538166 1020467832 /nfs/dbraw/zinc/46/78/32/1020467832.db2.gz SVLHVABJICHMCZ-HNNXBMFYSA-N 1 2 346.452 3.584 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)c1 ZINC000280598491 1020504988 /nfs/dbraw/zinc/50/49/88/1020504988.db2.gz UXRFIASHVQCODN-INIZCTEOSA-N 1 2 343.471 3.632 20 0 EHADLO CCCC[C@H](CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126268520 1020533044 /nfs/dbraw/zinc/53/30/44/1020533044.db2.gz WOGQGAKPSMDOLR-SFHVURJKSA-N 1 2 332.488 3.982 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000090721475 1020541089 /nfs/dbraw/zinc/54/10/89/1020541089.db2.gz FSWUMPLKKDZRKF-CYBMUJFWSA-N 1 2 349.837 3.562 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625470634 1020561374 /nfs/dbraw/zinc/56/13/74/1020561374.db2.gz GKZQWMUKKOXBPR-LBPRGKRZSA-N 1 2 339.270 3.595 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)ncc1Br ZINC000628327704 1020587416 /nfs/dbraw/zinc/58/74/16/1020587416.db2.gz MSAVBJKPSWSESB-HNNXBMFYSA-N 1 2 339.277 3.686 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)ncc1Br ZINC000628327704 1020587421 /nfs/dbraw/zinc/58/74/21/1020587421.db2.gz MSAVBJKPSWSESB-HNNXBMFYSA-N 1 2 339.277 3.686 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340936323 1020651190 /nfs/dbraw/zinc/65/11/90/1020651190.db2.gz OTUMEIPFXNXVKP-CVEARBPZSA-N 1 2 328.460 3.555 20 0 EHADLO CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419478731 1020665969 /nfs/dbraw/zinc/66/59/69/1020665969.db2.gz RXCRQHNLIQREFC-BRWVUGGUSA-N 1 2 344.503 3.517 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCOc3cccc(F)c3)cc2[nH+]1 ZINC000340967613 1020700433 /nfs/dbraw/zinc/70/04/33/1020700433.db2.gz DWAGVWTUQIXRBU-UHFFFAOYSA-N 1 2 327.359 3.808 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1c(F)cccc1F ZINC000628215710 1032922882 /nfs/dbraw/zinc/92/28/82/1032922882.db2.gz QVMACDDMZWOGFG-LLVKDONJSA-N 1 2 337.313 3.868 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC000048385632 1020751467 /nfs/dbraw/zinc/75/14/67/1020751467.db2.gz DUCYUXHFIDLCEJ-UHFFFAOYSA-N 1 2 344.480 3.535 20 0 EHADLO Cc1nc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc(C2CC2)n1 ZINC000581378642 1020763442 /nfs/dbraw/zinc/76/34/42/1020763442.db2.gz PBJJRJBULUBODH-KRWDZBQOSA-N 1 2 344.846 3.557 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC001167457570 1020785716 /nfs/dbraw/zinc/78/57/16/1020785716.db2.gz FJGZUBLSTLSBFQ-KRWDZBQOSA-N 1 2 334.891 3.735 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC001167457570 1020785726 /nfs/dbraw/zinc/78/57/26/1020785726.db2.gz FJGZUBLSTLSBFQ-KRWDZBQOSA-N 1 2 334.891 3.735 20 0 EHADLO CC(C)C(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000606947914 1032933212 /nfs/dbraw/zinc/93/32/12/1032933212.db2.gz UQVFDNASFFVWAT-UHFFFAOYSA-N 1 2 330.432 3.518 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)C2 ZINC000933254243 1020829083 /nfs/dbraw/zinc/82/90/83/1020829083.db2.gz OTKGMVHTCQQJBU-UHFFFAOYSA-N 1 2 344.768 3.529 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)C2 ZINC000933254243 1020829092 /nfs/dbraw/zinc/82/90/92/1020829092.db2.gz OTKGMVHTCQQJBU-UHFFFAOYSA-N 1 2 344.768 3.529 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341139142 1021002520 /nfs/dbraw/zinc/00/25/20/1021002520.db2.gz OXCNWXNJMGMVLA-ZJUUUORDSA-N 1 2 333.295 3.541 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341139142 1021002521 /nfs/dbraw/zinc/00/25/21/1021002521.db2.gz OXCNWXNJMGMVLA-ZJUUUORDSA-N 1 2 333.295 3.541 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341177829 1021048989 /nfs/dbraw/zinc/04/89/89/1021048989.db2.gz AGMYDKSGYATPCR-NHCUHLMSSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1cccc(CC2C[NH+](Cc3cncc(Br)c3)C2)c1 ZINC000656648238 1021082634 /nfs/dbraw/zinc/08/26/34/1021082634.db2.gz RJMWTYJLEHWQCH-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000341207936 1021101196 /nfs/dbraw/zinc/10/11/96/1021101196.db2.gz BLOGZQNLQZSAKX-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276364352 1021105997 /nfs/dbraw/zinc/10/59/97/1021105997.db2.gz MYWUOGJGORGMMG-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000375764508 1032954607 /nfs/dbraw/zinc/95/46/07/1032954607.db2.gz QRLFDFCLMHLFHF-AWEZNQCLSA-N 1 2 336.423 3.765 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000375764508 1032954626 /nfs/dbraw/zinc/95/46/26/1032954626.db2.gz QRLFDFCLMHLFHF-AWEZNQCLSA-N 1 2 336.423 3.765 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC1CC1 ZINC000785050790 1021132058 /nfs/dbraw/zinc/13/20/58/1021132058.db2.gz KYLXZCDPWJMWER-OAHLLOKOSA-N 1 2 340.826 3.580 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC1CC1 ZINC000785050790 1021132061 /nfs/dbraw/zinc/13/20/61/1021132061.db2.gz KYLXZCDPWJMWER-OAHLLOKOSA-N 1 2 340.826 3.580 20 0 EHADLO O=C(c1ccc2ncccc2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341236259 1021146259 /nfs/dbraw/zinc/14/62/59/1021146259.db2.gz GUTYCODVMZMONZ-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581610748 1021149896 /nfs/dbraw/zinc/14/98/96/1021149896.db2.gz BLEAYPHAMJNFDE-CHWSQXEVSA-N 1 2 339.361 3.600 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681123 1021159382 /nfs/dbraw/zinc/15/93/82/1021159382.db2.gz AELYWBSSWXXVMW-OLZOCXBDSA-N 1 2 331.485 3.946 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cscn1 ZINC000656682124 1021164991 /nfs/dbraw/zinc/16/49/91/1021164991.db2.gz PXUHXXFQNDPETQ-TUAOUCFPSA-N 1 2 337.876 3.713 20 0 EHADLO FC(F)(F)CC1C[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000656686820 1021169236 /nfs/dbraw/zinc/16/92/36/1021169236.db2.gz YWZSYLFXUVOUMK-UHFFFAOYSA-N 1 2 343.780 3.969 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)s2)c(C)c1 ZINC000427203735 1021212400 /nfs/dbraw/zinc/21/24/00/1021212400.db2.gz IGKVFMVRRACMCM-INIZCTEOSA-N 1 2 341.480 3.992 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)s2)c(C)c1 ZINC000427203735 1021212409 /nfs/dbraw/zinc/21/24/09/1021212409.db2.gz IGKVFMVRRACMCM-INIZCTEOSA-N 1 2 341.480 3.992 20 0 EHADLO Cn1c2ccc(C[N@@H+]3CC[C@@H]3c3cccc(F)c3)cc2sc1=O ZINC000684360951 1021280283 /nfs/dbraw/zinc/28/02/83/1021280283.db2.gz IOUPNBGGPYZWCN-OAHLLOKOSA-N 1 2 328.412 3.686 20 0 EHADLO Cn1c2ccc(C[N@H+]3CC[C@@H]3c3cccc(F)c3)cc2sc1=O ZINC000684360951 1021280298 /nfs/dbraw/zinc/28/02/98/1021280298.db2.gz IOUPNBGGPYZWCN-OAHLLOKOSA-N 1 2 328.412 3.686 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C2CC2)c1 ZINC000519606726 1021280841 /nfs/dbraw/zinc/28/08/41/1021280841.db2.gz ATDDVMZCXIJORD-UHFFFAOYSA-N 1 2 335.451 3.879 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccnn1CC1CC1 ZINC000656771972 1021314249 /nfs/dbraw/zinc/31/42/49/1021314249.db2.gz JMXHMEWFFNCXSF-UHFFFAOYSA-N 1 2 329.835 3.928 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000656772640 1021314304 /nfs/dbraw/zinc/31/43/04/1021314304.db2.gz VKKPGAKQGATMRN-UHFFFAOYSA-N 1 2 329.835 3.840 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nc3ccccc3s1)C2 ZINC000664871913 1021366419 /nfs/dbraw/zinc/36/64/19/1021366419.db2.gz CYYKPEMHSVBYED-UHFFFAOYSA-N 1 2 326.469 3.614 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000664871913 1021366437 /nfs/dbraw/zinc/36/64/37/1021366437.db2.gz CYYKPEMHSVBYED-UHFFFAOYSA-N 1 2 326.469 3.614 20 0 EHADLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)sc1C ZINC000341313580 1021417811 /nfs/dbraw/zinc/41/78/11/1021417811.db2.gz NTWJIKAVVNEPBM-UHFFFAOYSA-N 1 2 331.485 3.894 20 0 EHADLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCC[C@@H](c1cccnc1)C2 ZINC000507700420 1021450356 /nfs/dbraw/zinc/45/03/56/1021450356.db2.gz WOYBCCHWUILOAR-UTKZUKDTSA-N 1 2 341.499 3.980 20 0 EHADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469445478 1021475766 /nfs/dbraw/zinc/47/57/66/1021475766.db2.gz CDGAWSMXQKYNGU-LJQANCHMSA-N 1 2 342.389 3.671 20 0 EHADLO Cc1sccc1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345989078 1021480059 /nfs/dbraw/zinc/48/00/59/1021480059.db2.gz JDUQWSYUCLDQCP-UHFFFAOYSA-N 1 2 336.420 3.942 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCC[C@H]1C1CC1 ZINC000518774242 1021532673 /nfs/dbraw/zinc/53/26/73/1021532673.db2.gz XZPLMTMCDWMFNV-PMACEKPBSA-N 1 2 337.467 3.764 20 0 EHADLO CCCc1csc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC000426419331 1021535847 /nfs/dbraw/zinc/53/58/47/1021535847.db2.gz KPWWXKLPNRFRPO-UHFFFAOYSA-N 1 2 349.525 3.552 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC000341362151 1021539948 /nfs/dbraw/zinc/53/99/48/1021539948.db2.gz DPRZYYZZYKSPLP-UHFFFAOYSA-N 1 2 328.199 3.617 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCN(CC(F)(F)F)[C@H](C)C3)cc2s1 ZINC000426422562 1021546723 /nfs/dbraw/zinc/54/67/23/1021546723.db2.gz XEBNJEBJRLAIHD-LLVKDONJSA-N 1 2 343.418 3.673 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCN(CC(F)(F)F)[C@H](C)C3)cc2s1 ZINC000426422562 1021546729 /nfs/dbraw/zinc/54/67/29/1021546729.db2.gz XEBNJEBJRLAIHD-LLVKDONJSA-N 1 2 343.418 3.673 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000729480087 1021572254 /nfs/dbraw/zinc/57/22/54/1021572254.db2.gz XVGBCDIRYRDIEQ-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000729480087 1021572265 /nfs/dbraw/zinc/57/22/65/1021572265.db2.gz XVGBCDIRYRDIEQ-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO CC[N@H+](Cc1nc(N(C)C)no1)C(c1ccccc1)c1ccccc1 ZINC000518797805 1021580042 /nfs/dbraw/zinc/58/00/42/1021580042.db2.gz PMWHDZLHWPJUPG-UHFFFAOYSA-N 1 2 336.439 3.747 20 0 EHADLO CC[N@@H+](Cc1nc(N(C)C)no1)C(c1ccccc1)c1ccccc1 ZINC000518797805 1021580054 /nfs/dbraw/zinc/58/00/54/1021580054.db2.gz PMWHDZLHWPJUPG-UHFFFAOYSA-N 1 2 336.439 3.747 20 0 EHADLO C[C@@H](N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1(C)CC1 ZINC000297602697 1021643948 /nfs/dbraw/zinc/64/39/48/1021643948.db2.gz NOAIEKCUZQDBJL-CYBMUJFWSA-N 1 2 346.862 3.856 20 0 EHADLO CCc1cc(C[NH2+][C@@H](C)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 ZINC000925057983 1021649377 /nfs/dbraw/zinc/64/93/77/1021649377.db2.gz OJMLCIJFAYHJLV-QMMMGPOBSA-N 1 2 332.757 3.890 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CCc4cccc(F)c4C3)cn2)cc1 ZINC000437240194 1021672646 /nfs/dbraw/zinc/67/26/46/1021672646.db2.gz XDZZYXLYCVOMIH-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CCc4cccc(F)c4C3)cn2)cc1 ZINC000437240194 1021672651 /nfs/dbraw/zinc/67/26/51/1021672651.db2.gz XDZZYXLYCVOMIH-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cc(OC)no1)c1cccc(C(F)(F)F)c1 ZINC000925091768 1021687343 /nfs/dbraw/zinc/68/73/43/1021687343.db2.gz AHQOWRWISOWPPI-MFKMUULPSA-N 1 2 344.333 3.740 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000519830284 1021708725 /nfs/dbraw/zinc/70/87/25/1021708725.db2.gz YSACNACMXNLBND-ULQDDVLXSA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000083248189 1021711047 /nfs/dbraw/zinc/71/10/47/1021711047.db2.gz RQHLABDTRFXTKK-LSDHHAIUSA-N 1 2 338.879 3.804 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000083248189 1021711063 /nfs/dbraw/zinc/71/10/63/1021711063.db2.gz RQHLABDTRFXTKK-LSDHHAIUSA-N 1 2 338.879 3.804 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000439795967 1021722111 /nfs/dbraw/zinc/72/21/11/1021722111.db2.gz VYFAZLNENIEHKU-GBESFXJTSA-N 1 2 337.467 3.549 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437355169 1021751264 /nfs/dbraw/zinc/75/12/64/1021751264.db2.gz UIBYQOBLRDVZFQ-WBMJQRKESA-N 1 2 341.860 3.505 20 0 EHADLO F[C@@H]1CC2(CC[C@H]1[NH+](Cc1ccco1)Cc1ccco1)OCCO2 ZINC000891497752 1021767580 /nfs/dbraw/zinc/76/75/80/1021767580.db2.gz IMVIFINEGYGJJC-IAGOWNOFSA-N 1 2 335.375 3.509 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276555237 1021770195 /nfs/dbraw/zinc/77/01/95/1021770195.db2.gz FWMDZNUQAPLAIW-GOEBONIOSA-N 1 2 343.496 3.833 20 0 EHADLO CC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000440796372 1021773143 /nfs/dbraw/zinc/77/31/43/1021773143.db2.gz WMPLNGZHPVGFGO-WFASDCNBSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000440796372 1021773161 /nfs/dbraw/zinc/77/31/61/1021773161.db2.gz WMPLNGZHPVGFGO-WFASDCNBSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000426522798 1021788297 /nfs/dbraw/zinc/78/82/97/1021788297.db2.gz MOXMSFPINNJSPS-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000426522798 1021788308 /nfs/dbraw/zinc/78/83/08/1021788308.db2.gz MOXMSFPINNJSPS-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440895077 1021852989 /nfs/dbraw/zinc/85/29/89/1021852989.db2.gz ORAIFNHMIBKOGY-SJORKVTESA-N 1 2 340.467 3.861 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440895077 1021853003 /nfs/dbraw/zinc/85/30/03/1021853003.db2.gz ORAIFNHMIBKOGY-SJORKVTESA-N 1 2 340.467 3.861 20 0 EHADLO O=C(CCc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000141118927 1033012072 /nfs/dbraw/zinc/01/20/72/1033012072.db2.gz JNLHSAKLJRIHJT-UHFFFAOYSA-N 1 2 325.456 3.535 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC000520041318 1021891068 /nfs/dbraw/zinc/89/10/68/1021891068.db2.gz KUZHWVWHHIYQDW-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC000520041318 1021891087 /nfs/dbraw/zinc/89/10/87/1021891087.db2.gz KUZHWVWHHIYQDW-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000516966406 1021900568 /nfs/dbraw/zinc/90/05/68/1021900568.db2.gz MRVUZUXEHCRFDV-VAMGGRTRSA-N 1 2 345.446 3.994 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000440969191 1021907081 /nfs/dbraw/zinc/90/70/81/1021907081.db2.gz OXVNYOVEDTVHGQ-QWFCFKBJSA-N 1 2 344.499 3.532 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000440969191 1021907090 /nfs/dbraw/zinc/90/70/90/1021907090.db2.gz OXVNYOVEDTVHGQ-QWFCFKBJSA-N 1 2 344.499 3.532 20 0 EHADLO Cc1cc(C)nc(C2CN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C2)n1 ZINC000894895620 1021910044 /nfs/dbraw/zinc/91/00/44/1021910044.db2.gz FKSCBKZAKOHMMS-UHFFFAOYSA-N 1 2 325.460 3.734 20 0 EHADLO CC(C)c1ncc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)s1 ZINC000341442382 1021911438 /nfs/dbraw/zinc/91/14/38/1021911438.db2.gz XCPGGEPEWMJMAD-ZDUSSCGKSA-N 1 2 328.840 3.882 20 0 EHADLO Cc1c(CNC(=O)NCCn2cc[nH+]c2)sc2ccc(Cl)cc12 ZINC000440995502 1021918024 /nfs/dbraw/zinc/91/80/24/1021918024.db2.gz DDERHVDABZRIBF-UHFFFAOYSA-N 1 2 348.859 3.559 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000139862415 1033016638 /nfs/dbraw/zinc/01/66/38/1033016638.db2.gz XEWFHFSCPCKQEF-UHFFFAOYSA-N 1 2 335.451 3.608 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000139862415 1033016647 /nfs/dbraw/zinc/01/66/47/1033016647.db2.gz XEWFHFSCPCKQEF-UHFFFAOYSA-N 1 2 335.451 3.608 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)no1 ZINC000441039893 1021937627 /nfs/dbraw/zinc/93/76/27/1021937627.db2.gz WLJKTIWFCWNQFU-KXBFYZLASA-N 1 2 349.434 3.869 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)no1 ZINC000441039893 1021937639 /nfs/dbraw/zinc/93/76/39/1021937639.db2.gz WLJKTIWFCWNQFU-KXBFYZLASA-N 1 2 349.434 3.869 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000519219789 1021939256 /nfs/dbraw/zinc/93/92/56/1021939256.db2.gz ONDSXJVTAWSYAX-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000519219789 1021939263 /nfs/dbraw/zinc/93/92/63/1021939263.db2.gz ONDSXJVTAWSYAX-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO Fc1cccc2[nH]c(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)cc21 ZINC000437578622 1021964933 /nfs/dbraw/zinc/96/49/33/1021964933.db2.gz GTHGDFBHNMGTDP-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)C2 ZINC000441072522 1021968774 /nfs/dbraw/zinc/96/87/74/1021968774.db2.gz SYFQYORLQQZTPR-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C)cc1C)C2 ZINC000441072522 1021968784 /nfs/dbraw/zinc/96/87/84/1021968784.db2.gz SYFQYORLQQZTPR-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000506070604 1021973950 /nfs/dbraw/zinc/97/39/50/1021973950.db2.gz IXWMEDDZTHBWQW-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000506070604 1021973968 /nfs/dbraw/zinc/97/39/68/1021973968.db2.gz IXWMEDDZTHBWQW-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000437581693 1021974413 /nfs/dbraw/zinc/97/44/13/1021974413.db2.gz MFIMIZIQSUIXOM-GOEBONIOSA-N 1 2 330.501 3.620 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000437581693 1021974419 /nfs/dbraw/zinc/97/44/19/1021974419.db2.gz MFIMIZIQSUIXOM-GOEBONIOSA-N 1 2 330.501 3.620 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000437617983 1021984876 /nfs/dbraw/zinc/98/48/76/1021984876.db2.gz XLRRRTGHUDPVMZ-CQSZACIVSA-N 1 2 333.863 3.700 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccccc1 ZINC000520183752 1022001356 /nfs/dbraw/zinc/00/13/56/1022001356.db2.gz MZRLFQBKVJWSEK-ZDUSSCGKSA-N 1 2 340.250 3.865 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccccc1 ZINC000520183752 1022001365 /nfs/dbraw/zinc/00/13/65/1022001365.db2.gz MZRLFQBKVJWSEK-ZDUSSCGKSA-N 1 2 340.250 3.865 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c(OCCC)c1 ZINC000276616410 1022006837 /nfs/dbraw/zinc/00/68/37/1022006837.db2.gz LZEFUYIIDUAZDE-CABCVRRESA-N 1 2 346.475 3.805 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260315 1022062691 /nfs/dbraw/zinc/06/26/91/1022062691.db2.gz KXJXCPAOQWMGRK-SGTLLEGYSA-N 1 2 328.366 3.566 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260315 1022062703 /nfs/dbraw/zinc/06/27/03/1022062703.db2.gz KXJXCPAOQWMGRK-SGTLLEGYSA-N 1 2 328.366 3.566 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)ccn1 ZINC000925023447 1022073436 /nfs/dbraw/zinc/07/34/36/1022073436.db2.gz MSYJVTKCBXCYDC-HZPDHXFCSA-N 1 2 345.491 3.918 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000255375370 1022135883 /nfs/dbraw/zinc/13/58/83/1022135883.db2.gz TVXBLCJZKUNJHW-FLIBITNWSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000255375370 1022135887 /nfs/dbraw/zinc/13/58/87/1022135887.db2.gz TVXBLCJZKUNJHW-FLIBITNWSA-N 1 2 347.871 3.826 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000506132765 1022149099 /nfs/dbraw/zinc/14/90/99/1022149099.db2.gz XEAJTHODGXNQTK-NRFANRHFSA-N 1 2 346.430 3.880 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000506132765 1022149106 /nfs/dbraw/zinc/14/91/06/1022149106.db2.gz XEAJTHODGXNQTK-NRFANRHFSA-N 1 2 346.430 3.880 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCOc2ccc(C)c(C)c2)n1 ZINC000441372169 1022194108 /nfs/dbraw/zinc/19/41/08/1022194108.db2.gz BNROJUDAEWWASX-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(C)c(C)c2)n1 ZINC000441372169 1022194114 /nfs/dbraw/zinc/19/41/14/1022194114.db2.gz BNROJUDAEWWASX-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(C(C)(C)C)ccc2=O)CC[C@@H]1c1ccccc1 ZINC000172937131 1033035592 /nfs/dbraw/zinc/03/55/92/1033035592.db2.gz YNQWCWGJZBLASC-WMZOPIPTSA-N 1 2 339.483 3.624 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)CC[C@@H]1c1ccccc1 ZINC000172937131 1033035603 /nfs/dbraw/zinc/03/56/03/1033035603.db2.gz YNQWCWGJZBLASC-WMZOPIPTSA-N 1 2 339.483 3.624 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2cc(C)cnc2Cl)C2CC2)cc1 ZINC000891647599 1022198932 /nfs/dbraw/zinc/19/89/32/1022198932.db2.gz YICJAEVKZOWCJO-UHFFFAOYSA-N 1 2 343.858 3.568 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2cc(C)cnc2Cl)C2CC2)cc1 ZINC000891647599 1022198946 /nfs/dbraw/zinc/19/89/46/1022198946.db2.gz YICJAEVKZOWCJO-UHFFFAOYSA-N 1 2 343.858 3.568 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3nccc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000894414088 1022221938 /nfs/dbraw/zinc/22/19/38/1022221938.db2.gz VCCXNTQKHGSSTA-HOTGVXAUSA-N 1 2 348.450 3.856 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000550330434 1022248536 /nfs/dbraw/zinc/24/85/36/1022248536.db2.gz FUMGQCCYYIKNTI-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(CC(F)(F)F)s1)CCO2 ZINC000894417851 1022257028 /nfs/dbraw/zinc/25/70/28/1022257028.db2.gz CFYYDWJFOPSQTE-UHFFFAOYSA-N 1 2 342.386 3.951 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(CC(F)(F)F)s1)CCO2 ZINC000894417851 1022257041 /nfs/dbraw/zinc/25/70/41/1022257041.db2.gz CFYYDWJFOPSQTE-UHFFFAOYSA-N 1 2 342.386 3.951 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919037 1033042630 /nfs/dbraw/zinc/04/26/30/1033042630.db2.gz ZNIFAGUWNKIRAK-CABCVRRESA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919037 1033042641 /nfs/dbraw/zinc/04/26/41/1033042641.db2.gz ZNIFAGUWNKIRAK-CABCVRRESA-N 1 2 329.419 3.517 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000458876749 1022323807 /nfs/dbraw/zinc/32/38/07/1022323807.db2.gz GLXZWJGNTDEUNC-SUMWQHHRSA-N 1 2 342.418 3.515 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000458876747 1022324448 /nfs/dbraw/zinc/32/44/48/1022324448.db2.gz GLXZWJGNTDEUNC-DYVFJYSZSA-N 1 2 342.418 3.515 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000425941196 1022327938 /nfs/dbraw/zinc/32/79/38/1022327938.db2.gz BMERQEPBVNPQOS-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000425941196 1022327957 /nfs/dbraw/zinc/32/79/57/1022327957.db2.gz BMERQEPBVNPQOS-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO CCc1cc(N2CC[C@H](c3ccc4cccnc4n3)C2)nc(CC)[nH+]1 ZINC000895001120 1022362140 /nfs/dbraw/zinc/36/21/40/1022362140.db2.gz XSACXTAFVGCFQD-HNNXBMFYSA-N 1 2 333.439 3.539 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000528906968 1033049635 /nfs/dbraw/zinc/04/96/35/1033049635.db2.gz NUGZOJDLNZJKRT-WBVHZDCISA-N 1 2 345.874 3.973 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cs1 ZINC000894486942 1022383688 /nfs/dbraw/zinc/38/36/88/1022383688.db2.gz ZZBMKDCFUGGIMR-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cs1 ZINC000894486942 1022383706 /nfs/dbraw/zinc/38/37/06/1022383706.db2.gz ZZBMKDCFUGGIMR-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000472325350 1033053570 /nfs/dbraw/zinc/05/35/70/1033053570.db2.gz HZLNBRYOVHZUNJ-MEDUHNTESA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000472325350 1033053583 /nfs/dbraw/zinc/05/35/83/1033053583.db2.gz HZLNBRYOVHZUNJ-MEDUHNTESA-N 1 2 333.432 3.612 20 0 EHADLO CN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC(C)(C)C1 ZINC000458885916 1022422752 /nfs/dbraw/zinc/42/27/52/1022422752.db2.gz PGCTYITYHMBIOB-UHFFFAOYSA-N 1 2 346.862 3.856 20 0 EHADLO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179273 1022443257 /nfs/dbraw/zinc/44/32/57/1022443257.db2.gz XKZSTJQJIQTYQR-HZPDHXFCSA-N 1 2 330.501 3.681 20 0 EHADLO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179273 1022443271 /nfs/dbraw/zinc/44/32/71/1022443271.db2.gz XKZSTJQJIQTYQR-HZPDHXFCSA-N 1 2 330.501 3.681 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1cccnc1 ZINC000172938422 1033051806 /nfs/dbraw/zinc/05/18/06/1033051806.db2.gz MOAKQBDGCMPQDL-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1cccnc1 ZINC000172938422 1033051822 /nfs/dbraw/zinc/05/18/22/1033051822.db2.gz MOAKQBDGCMPQDL-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO CCCOc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000345979723 1022455041 /nfs/dbraw/zinc/45/50/41/1022455041.db2.gz BRYJBONBMJLIFB-UHFFFAOYSA-N 1 2 347.378 3.773 20 0 EHADLO Cn1c2ccccc2c2cc(C(=O)OCCCn3cc[nH+]c3)sc21 ZINC000780374065 1022471222 /nfs/dbraw/zinc/47/12/22/1022471222.db2.gz JINOJUDPKHODHR-UHFFFAOYSA-N 1 2 339.420 3.837 20 0 EHADLO COCC(C)(C)[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000292249616 1022491294 /nfs/dbraw/zinc/49/12/94/1022491294.db2.gz XOKNWMWLUIIELN-UHFFFAOYSA-N 1 2 338.448 3.718 20 0 EHADLO COCC(C)(C)[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000292249616 1022491302 /nfs/dbraw/zinc/49/13/02/1022491302.db2.gz XOKNWMWLUIIELN-UHFFFAOYSA-N 1 2 338.448 3.718 20 0 EHADLO Cc1noc2ncc(CN[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc12 ZINC000894531860 1022493411 /nfs/dbraw/zinc/49/34/11/1022493411.db2.gz GEVVEOWSBOVVJU-DNVCBOLYSA-N 1 2 338.455 3.621 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000341597376 1022498469 /nfs/dbraw/zinc/49/84/69/1022498469.db2.gz DZVGPTGINJYNQD-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000341597376 1022498474 /nfs/dbraw/zinc/49/84/74/1022498474.db2.gz DZVGPTGINJYNQD-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]1C1CCCC1 ZINC000891739494 1022498669 /nfs/dbraw/zinc/49/86/69/1022498669.db2.gz RCCVEKRKTZSHDB-SFHVURJKSA-N 1 2 342.487 3.546 20 0 EHADLO CCCCCCOc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1OC ZINC000276738886 1022529739 /nfs/dbraw/zinc/52/97/39/1022529739.db2.gz RQRKYQVDTLRXIC-OAHLLOKOSA-N 1 2 346.475 3.634 20 0 EHADLO CC1(C)C[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1c1ccncc1 ZINC000664830071 1022544637 /nfs/dbraw/zinc/54/46/37/1022544637.db2.gz GZVAYHZFGBOWMU-GOSISDBHSA-N 1 2 336.439 3.610 20 0 EHADLO CC1(C)C[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1c1ccncc1 ZINC000664830071 1022544650 /nfs/dbraw/zinc/54/46/50/1022544650.db2.gz GZVAYHZFGBOWMU-GOSISDBHSA-N 1 2 336.439 3.610 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000581962128 1022549554 /nfs/dbraw/zinc/54/95/54/1022549554.db2.gz ZYBWSMXFUUHSPR-OAHLLOKOSA-N 1 2 348.450 3.543 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cc(C)sc2C)c1C ZINC000051334331 1022550083 /nfs/dbraw/zinc/55/00/83/1022550083.db2.gz NBADEVLUHMQUNQ-ZDUSSCGKSA-N 1 2 347.484 3.946 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000341617719 1022570947 /nfs/dbraw/zinc/57/09/47/1022570947.db2.gz VHZMCUKNUZMSCG-UHFFFAOYSA-N 1 2 327.453 3.684 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000341617719 1022570957 /nfs/dbraw/zinc/57/09/57/1022570957.db2.gz VHZMCUKNUZMSCG-UHFFFAOYSA-N 1 2 327.453 3.684 20 0 EHADLO O=c1cc(C(F)F)nc(SCc2c[nH+]cn2Cc2ccccc2)[nH]1 ZINC000581972344 1022587172 /nfs/dbraw/zinc/58/71/72/1022587172.db2.gz IUQOKNPTLIPIDI-UHFFFAOYSA-N 1 2 348.378 3.657 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000303879889 1022589090 /nfs/dbraw/zinc/58/90/90/1022589090.db2.gz QWCWGSKKDDMTLE-KRWDZBQOSA-N 1 2 346.515 3.531 20 0 EHADLO CCC(CC)c1nnc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000144624962 1033061459 /nfs/dbraw/zinc/06/14/59/1033061459.db2.gz NEVVPVKSWKAOOI-AWEZNQCLSA-N 1 2 332.473 3.683 20 0 EHADLO CCCCOc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1OC ZINC000438353282 1022602783 /nfs/dbraw/zinc/60/27/83/1022602783.db2.gz BCXCQRQMYCQCAP-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCCCOc1cc(C[N@H+]2CCc3ncsc3C2)ccc1OC ZINC000438353282 1022602789 /nfs/dbraw/zinc/60/27/89/1022602789.db2.gz BCXCQRQMYCQCAP-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCC(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000042954977 1022627776 /nfs/dbraw/zinc/62/77/76/1022627776.db2.gz RZSNAKJMPYUFEH-GJZGRUSLSA-N 1 2 333.476 3.606 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000151406688 1022642016 /nfs/dbraw/zinc/64/20/16/1022642016.db2.gz YGJQJNDTSCQXJU-FXAWDEMLSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cc(F)c(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(F)c1 ZINC000425337574 1022644005 /nfs/dbraw/zinc/64/40/05/1022644005.db2.gz NYCUMERVJIZLRU-HNNXBMFYSA-N 1 2 331.410 3.547 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc(Br)c1 ZINC000506231013 1022654083 /nfs/dbraw/zinc/65/40/83/1022654083.db2.gz FTMXNEHQEREFSG-UHFFFAOYSA-N 1 2 344.256 3.968 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000506231013 1022654087 /nfs/dbraw/zinc/65/40/87/1022654087.db2.gz FTMXNEHQEREFSG-UHFFFAOYSA-N 1 2 344.256 3.968 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3(C)CCCC3)n2)O1 ZINC000665006536 1022664381 /nfs/dbraw/zinc/66/43/81/1022664381.db2.gz SQPWDXJZMNCEFZ-NVXWUHKLSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3(C)CCCC3)n2)O1 ZINC000665006536 1022664389 /nfs/dbraw/zinc/66/43/89/1022664389.db2.gz SQPWDXJZMNCEFZ-NVXWUHKLSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@H](C)O2 ZINC000430763037 1022666369 /nfs/dbraw/zinc/66/63/69/1022666369.db2.gz OIRAFANNRGSHQO-XUJVJEKNSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@H](C)O2 ZINC000430763037 1022666378 /nfs/dbraw/zinc/66/63/78/1022666378.db2.gz OIRAFANNRGSHQO-XUJVJEKNSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)O2 ZINC000430777250 1022684070 /nfs/dbraw/zinc/68/40/70/1022684070.db2.gz UVBAPBRCKSOXDS-IGCXYCKISA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)O2 ZINC000430777250 1022684074 /nfs/dbraw/zinc/68/40/74/1022684074.db2.gz UVBAPBRCKSOXDS-IGCXYCKISA-N 1 2 327.827 3.638 20 0 EHADLO CC(C)c1nnc(CNCc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC000894659275 1022691738 /nfs/dbraw/zinc/69/17/38/1022691738.db2.gz PYXWSPWPHXRXFI-UHFFFAOYSA-N 1 2 347.875 3.790 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000514097030 1022707475 /nfs/dbraw/zinc/70/74/75/1022707475.db2.gz ZKRANAMTVUBKAY-UHFFFAOYSA-N 1 2 341.455 3.630 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000514097030 1022707490 /nfs/dbraw/zinc/70/74/90/1022707490.db2.gz ZKRANAMTVUBKAY-UHFFFAOYSA-N 1 2 341.455 3.630 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)n1 ZINC000438550877 1022794578 /nfs/dbraw/zinc/79/45/78/1022794578.db2.gz CDUPTNGARSUEII-UGSOOPFHSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)n1 ZINC000438550877 1022794589 /nfs/dbraw/zinc/79/45/89/1022794589.db2.gz CDUPTNGARSUEII-UGSOOPFHSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(C)s1 ZINC000347349891 1033081830 /nfs/dbraw/zinc/08/18/30/1033081830.db2.gz WBSOIRPUNMWEAL-LSDHHAIUSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(C)s1 ZINC000347349891 1033081844 /nfs/dbraw/zinc/08/18/44/1033081844.db2.gz WBSOIRPUNMWEAL-LSDHHAIUSA-N 1 2 334.510 3.761 20 0 EHADLO CCc1nc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000438564679 1022813316 /nfs/dbraw/zinc/81/33/16/1022813316.db2.gz WDQMBSGAGZTSFD-UHFFFAOYSA-N 1 2 341.440 3.521 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cc(C)cc(NC(=O)OC(C)(C)C)c2)s1 ZINC000894744211 1022843552 /nfs/dbraw/zinc/84/35/52/1022843552.db2.gz PJEYPSPIKYMLQW-UHFFFAOYSA-N 1 2 348.472 3.792 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCCCn1cc[nH+]c1 ZINC000783657781 1033085533 /nfs/dbraw/zinc/08/55/33/1033085533.db2.gz XLKKORCQMUBMRA-QGZVFWFLSA-N 1 2 330.428 3.797 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1c(F)cccc1F ZINC000340437709 1022896760 /nfs/dbraw/zinc/89/67/60/1022896760.db2.gz WNPVBNWAWCDORK-ZJUUUORDSA-N 1 2 339.773 3.691 20 0 EHADLO COc1ccc([C@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699163 1022909457 /nfs/dbraw/zinc/90/94/57/1022909457.db2.gz VEAJZIZNQUGNMR-LIRRHRJNSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc([C@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699163 1022909473 /nfs/dbraw/zinc/90/94/73/1022909473.db2.gz VEAJZIZNQUGNMR-LIRRHRJNSA-N 1 2 326.440 3.541 20 0 EHADLO CCCc1csc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)n1 ZINC000426349493 1022935330 /nfs/dbraw/zinc/93/53/30/1022935330.db2.gz CBKSCFYAGCLROJ-UHFFFAOYSA-N 1 2 336.530 3.937 20 0 EHADLO CC[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000546201415 1022982086 /nfs/dbraw/zinc/98/20/86/1022982086.db2.gz HUGNVNVSAXKNBP-LBPRGKRZSA-N 1 2 347.381 3.579 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000426145294 1022988257 /nfs/dbraw/zinc/98/82/57/1022988257.db2.gz JECBCMFUORJKGP-KVPUOBJLSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000426145294 1022988269 /nfs/dbraw/zinc/98/82/69/1022988269.db2.gz JECBCMFUORJKGP-KVPUOBJLSA-N 1 2 346.272 3.860 20 0 EHADLO CC(C)CCc1nc(C[N@H+](CCC(N)=O)Cc2ccccc2)cs1 ZINC000438777501 1022992278 /nfs/dbraw/zinc/99/22/78/1022992278.db2.gz YDADLMBNLHQSLG-UHFFFAOYSA-N 1 2 345.512 3.609 20 0 EHADLO CC(C)CCc1nc(C[N@@H+](CCC(N)=O)Cc2ccccc2)cs1 ZINC000438777501 1022992282 /nfs/dbraw/zinc/99/22/82/1022992282.db2.gz YDADLMBNLHQSLG-UHFFFAOYSA-N 1 2 345.512 3.609 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000506893262 1022995419 /nfs/dbraw/zinc/99/54/19/1022995419.db2.gz SEUJXYQJOJKOSU-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(-c2ccncc2)cs1)c1nccn1C ZINC000341689249 1023025388 /nfs/dbraw/zinc/02/53/88/1023025388.db2.gz HPOASTOMCHQYGS-OCCSQVGLSA-N 1 2 327.457 3.741 20 0 EHADLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548417004 1023039707 /nfs/dbraw/zinc/03/97/07/1023039707.db2.gz FOTJAXKAAQRVMS-KGLIPLIRSA-N 1 2 345.830 3.513 20 0 EHADLO CC1(C)C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000509571235 1023058681 /nfs/dbraw/zinc/05/86/81/1023058681.db2.gz LCUHWVCVWLHZEP-UHFFFAOYSA-N 1 2 328.239 3.880 20 0 EHADLO CC1(C)C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000509571235 1023058688 /nfs/dbraw/zinc/05/86/88/1023058688.db2.gz LCUHWVCVWLHZEP-UHFFFAOYSA-N 1 2 328.239 3.880 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(Cc2ccccc2Cl)CC1 ZINC000189841528 1023121065 /nfs/dbraw/zinc/12/10/65/1023121065.db2.gz JVZRPMVEPFTMQB-UHFFFAOYSA-N 1 2 343.858 3.676 20 0 EHADLO c1nc2c([nH]1)C1(CCC1)[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000895068116 1023133565 /nfs/dbraw/zinc/13/35/65/1023133565.db2.gz JOHPPBNYMUNDBS-UHFFFAOYSA-N 1 2 336.464 3.971 20 0 EHADLO c1nc2c([nH]1)C1(CCC1)[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000895068116 1023133572 /nfs/dbraw/zinc/13/35/72/1023133572.db2.gz JOHPPBNYMUNDBS-UHFFFAOYSA-N 1 2 336.464 3.971 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878191 1033107725 /nfs/dbraw/zinc/10/77/25/1033107725.db2.gz KNPBGZJJIZGQCD-IEBWSBKVSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878191 1033107729 /nfs/dbraw/zinc/10/77/29/1033107729.db2.gz KNPBGZJJIZGQCD-IEBWSBKVSA-N 1 2 331.843 3.665 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470698 1023140040 /nfs/dbraw/zinc/14/00/40/1023140040.db2.gz RXUHCPMXDBBQPY-HRCADAONSA-N 1 2 326.444 3.763 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c(C)c1 ZINC000091894612 1023143540 /nfs/dbraw/zinc/14/35/40/1023143540.db2.gz IQXNPWJGOUZBLL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(F)ccc3C2)c(C)c1 ZINC000091894612 1023143543 /nfs/dbraw/zinc/14/35/43/1023143543.db2.gz IQXNPWJGOUZBLL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000346018963 1023157553 /nfs/dbraw/zinc/15/75/53/1023157553.db2.gz OREBVIMDDPVBFD-UHFFFAOYSA-N 1 2 349.394 3.543 20 0 EHADLO Oc1cc(F)cc(C[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000349599328 1023165929 /nfs/dbraw/zinc/16/59/29/1023165929.db2.gz NZPQZCDPLDLSSW-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000346019972 1023167994 /nfs/dbraw/zinc/16/79/94/1023167994.db2.gz WYKKMERYSXYUTG-GOSISDBHSA-N 1 2 344.480 3.763 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1F ZINC000610682007 1023199688 /nfs/dbraw/zinc/19/96/88/1023199688.db2.gz QWKLQERVVWSTQB-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1F ZINC000610682007 1023199695 /nfs/dbraw/zinc/19/96/95/1023199695.db2.gz QWKLQERVVWSTQB-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1C ZINC000507257628 1023213812 /nfs/dbraw/zinc/21/38/12/1023213812.db2.gz AVVDZYBSAIFLNO-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1C ZINC000507257628 1023213819 /nfs/dbraw/zinc/21/38/19/1023213819.db2.gz AVVDZYBSAIFLNO-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000507276369 1023218546 /nfs/dbraw/zinc/21/85/46/1023218546.db2.gz WLVFCVDBLRHEPW-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000507276369 1023218552 /nfs/dbraw/zinc/21/85/52/1023218552.db2.gz WLVFCVDBLRHEPW-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO CCc1nc(N(Cc2cc(OC)ccc2OC)C2CC2)cc(C)[nH+]1 ZINC000341746112 1023246543 /nfs/dbraw/zinc/24/65/43/1023246543.db2.gz WSILTPHDBVZKEP-UHFFFAOYSA-N 1 2 327.428 3.534 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3c1OCO3)[C@H]2c1ccccc1 ZINC000507351951 1023260731 /nfs/dbraw/zinc/26/07/31/1023260731.db2.gz HLFJNAXGXXNXAV-FQEVSTJZSA-N 1 2 332.403 3.822 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3c1OCO3)[C@H]2c1ccccc1 ZINC000507351951 1023260742 /nfs/dbraw/zinc/26/07/42/1023260742.db2.gz HLFJNAXGXXNXAV-FQEVSTJZSA-N 1 2 332.403 3.822 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091701996 1023297714 /nfs/dbraw/zinc/29/77/14/1023297714.db2.gz PJVVTXCRSPECBH-HOTGVXAUSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091701996 1023297723 /nfs/dbraw/zinc/29/77/23/1023297723.db2.gz PJVVTXCRSPECBH-HOTGVXAUSA-N 1 2 325.456 3.514 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cn1 ZINC000092196188 1023336749 /nfs/dbraw/zinc/33/67/49/1023336749.db2.gz VWIHLJLJGFINEZ-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc2c(C(=O)NCC[NH+]3Cc4ccccc4C3)csc2c1 ZINC000684565002 1023393496 /nfs/dbraw/zinc/39/34/96/1023393496.db2.gz DWFJNUJSKJEXTC-UHFFFAOYSA-N 1 2 336.460 3.955 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582003859 1023498007 /nfs/dbraw/zinc/49/80/07/1023498007.db2.gz IFRRZRPXYCZIDK-GFCCVEGCSA-N 1 2 331.485 3.725 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582003859 1023498011 /nfs/dbraw/zinc/49/80/11/1023498011.db2.gz IFRRZRPXYCZIDK-GFCCVEGCSA-N 1 2 331.485 3.725 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000341873820 1023505040 /nfs/dbraw/zinc/50/50/40/1023505040.db2.gz GVBIEXRHPHYEMU-UNEWFSDZSA-N 1 2 347.484 3.751 20 0 EHADLO Cc1cccc([C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccn2)c1 ZINC000535731053 1023596499 /nfs/dbraw/zinc/59/64/99/1023596499.db2.gz JYWHCIXWSGYKLL-HXUWFJFHSA-N 1 2 330.435 3.989 20 0 EHADLO Cc1cc(NC(=O)N2CCC(=Cc3ccccc3F)CC2)c(C)c[nH+]1 ZINC000535775047 1023626455 /nfs/dbraw/zinc/62/64/55/1023626455.db2.gz YASBYLBZKNCPTM-UHFFFAOYSA-N 1 2 339.414 3.971 20 0 EHADLO COc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001143418001 1023710839 /nfs/dbraw/zinc/71/08/39/1023710839.db2.gz NHBNRAUOUCOAMR-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cncc(F)c1 ZINC000449747967 1033161792 /nfs/dbraw/zinc/16/17/92/1033161792.db2.gz ACCWQXGLSWGENS-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cncc(F)c1 ZINC000449747967 1033161802 /nfs/dbraw/zinc/16/18/02/1033161802.db2.gz ACCWQXGLSWGENS-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342059189 1023810873 /nfs/dbraw/zinc/81/08/73/1023810873.db2.gz IBNRIIVGBAQWCP-HNNXBMFYSA-N 1 2 335.411 3.816 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCc2cc(Br)no2)c1C ZINC001167497255 1023820875 /nfs/dbraw/zinc/82/08/75/1023820875.db2.gz XCKZFXODPBFCDN-UHFFFAOYSA-N 1 2 339.237 3.754 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cnn(CCF)c3)cs2)cc1 ZINC000897738150 1033165411 /nfs/dbraw/zinc/16/54/11/1033165411.db2.gz VKIAEAJZWQOVDD-UHFFFAOYSA-N 1 2 330.432 3.574 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](C)CCCc2nccn2CCC)n1 ZINC000277164232 1023889497 /nfs/dbraw/zinc/88/94/97/1023889497.db2.gz KIWMUCPBTVEUAH-HNNXBMFYSA-N 1 2 333.480 3.644 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](C)CCCc2nccn2CCC)n1 ZINC000277164232 1023889504 /nfs/dbraw/zinc/88/95/04/1023889504.db2.gz KIWMUCPBTVEUAH-HNNXBMFYSA-N 1 2 333.480 3.644 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000150726610 1023929208 /nfs/dbraw/zinc/92/92/08/1023929208.db2.gz UPIQBIUSVGZYBX-KRWDZBQOSA-N 1 2 333.435 3.660 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)cs1 ZINC000342098561 1023954013 /nfs/dbraw/zinc/95/40/13/1023954013.db2.gz PDBSDIJOGUWFGQ-UHFFFAOYSA-N 1 2 346.374 3.861 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)cs1 ZINC000342098561 1023954021 /nfs/dbraw/zinc/95/40/21/1023954021.db2.gz PDBSDIJOGUWFGQ-UHFFFAOYSA-N 1 2 346.374 3.861 20 0 EHADLO C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H](C(F)(F)F)O1 ZINC000608752038 1023964105 /nfs/dbraw/zinc/96/41/05/1023964105.db2.gz ZXDWHXVOBZDWTF-SMDDNHRTSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@H](C(F)(F)F)O1 ZINC000608752038 1023964117 /nfs/dbraw/zinc/96/41/17/1023964117.db2.gz ZXDWHXVOBZDWTF-SMDDNHRTSA-N 1 2 337.769 3.761 20 0 EHADLO c1ccc(CCOCCCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000192282910 1023970569 /nfs/dbraw/zinc/97/05/69/1023970569.db2.gz VBTIVCVDFAQZBF-UHFFFAOYSA-N 1 2 340.471 3.528 20 0 EHADLO c1ccc(CCOCCCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000192282910 1023970590 /nfs/dbraw/zinc/97/05/90/1023970590.db2.gz VBTIVCVDFAQZBF-UHFFFAOYSA-N 1 2 340.471 3.528 20 0 EHADLO c1nc(N2CCCCC2)cc(N[C@H]2CCOC3(CCCCC3)C2)[nH+]1 ZINC000133480176 1023985264 /nfs/dbraw/zinc/98/52/64/1023985264.db2.gz WZSWECSSCTXUJV-INIZCTEOSA-N 1 2 330.476 3.761 20 0 EHADLO c1nc(N[C@H]2CCOC3(CCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000133480176 1023985279 /nfs/dbraw/zinc/98/52/79/1023985279.db2.gz WZSWECSSCTXUJV-INIZCTEOSA-N 1 2 330.476 3.761 20 0 EHADLO Cc1cc(NCC[C@H]2CCC3(CCOCC3)CO2)nc(C2CCC2)[nH+]1 ZINC000895217751 1023987597 /nfs/dbraw/zinc/98/75/97/1023987597.db2.gz KVRYYDABSYTARZ-QGZVFWFLSA-N 1 2 345.487 3.830 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)[nH]1 ZINC000277175315 1023996156 /nfs/dbraw/zinc/99/61/56/1023996156.db2.gz IEQNAQISTDFZCI-VXGBXAGGSA-N 1 2 328.416 3.924 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)c[nH+]1 ZINC000459110380 1024002435 /nfs/dbraw/zinc/00/24/35/1024002435.db2.gz FNYLLMVWHBSSSY-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)CC(C)(C)C ZINC000190994540 1024007169 /nfs/dbraw/zinc/00/71/69/1024007169.db2.gz PGGHCUXWKOKRJQ-ZACQAIPSSA-N 1 2 334.508 3.938 20 0 EHADLO O=C(c1cc2c(s1)CCC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514000820 1024044287 /nfs/dbraw/zinc/04/42/87/1024044287.db2.gz BNUPJULOHQFPAN-HNNXBMFYSA-N 1 2 346.883 3.677 20 0 EHADLO CCc1cc2c(ncnc2N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000134065035 1024063719 /nfs/dbraw/zinc/06/37/19/1024063719.db2.gz UIUFXLCWLUBPPE-IUODEOHRSA-N 1 2 327.457 3.538 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000280854201 1024072831 /nfs/dbraw/zinc/07/28/31/1024072831.db2.gz VIMGQZRHGDOHKF-UHFFFAOYSA-N 1 2 345.874 3.586 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000514058720 1024081490 /nfs/dbraw/zinc/08/14/90/1024081490.db2.gz ASGIPDKSAMZABH-UHFFFAOYSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H]3CCCc4ccccc43)[nH+]c12 ZINC000522238918 1024084000 /nfs/dbraw/zinc/08/40/00/1024084000.db2.gz XPIATPVLEFDKLS-IBGZPJMESA-N 1 2 333.435 3.721 20 0 EHADLO CC[C@]([NH2+]C[C@@H]1CCCC(F)(F)C1)(C(=O)OC)c1ccccc1 ZINC000514074048 1024090391 /nfs/dbraw/zinc/09/03/91/1024090391.db2.gz HNJLGVPBCGYGSD-RDTXWAMCSA-N 1 2 325.399 3.880 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c[nH+]1 ZINC000895255455 1024123117 /nfs/dbraw/zinc/12/31/17/1024123117.db2.gz WYVHJFAPYWYBCQ-SFHVURJKSA-N 1 2 340.471 3.988 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OC(C)C ZINC000428312238 1024132976 /nfs/dbraw/zinc/13/29/76/1024132976.db2.gz DXDPTASBHMXCGR-CYBMUJFWSA-N 1 2 332.448 3.575 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434542888 1024151122 /nfs/dbraw/zinc/15/11/22/1024151122.db2.gz OLJJUARIERWARW-CYBMUJFWSA-N 1 2 342.188 3.925 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434542888 1024151126 /nfs/dbraw/zinc/15/11/26/1024151126.db2.gz OLJJUARIERWARW-CYBMUJFWSA-N 1 2 342.188 3.925 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614701039 1024206908 /nfs/dbraw/zinc/20/69/08/1024206908.db2.gz QBDBYBUIIPODNL-FUHWJXTLSA-N 1 2 345.874 3.797 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)sc21 ZINC000342141363 1024226925 /nfs/dbraw/zinc/22/69/25/1024226925.db2.gz PJRNBYCGJBQLHE-MRXNPFEDSA-N 1 2 338.432 3.898 20 0 EHADLO C[C@@H](F)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000505455604 1024231098 /nfs/dbraw/zinc/23/10/98/1024231098.db2.gz OBDXVTNGIFBIMZ-CQSZACIVSA-N 1 2 334.464 3.703 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000783543481 1024231911 /nfs/dbraw/zinc/23/19/11/1024231911.db2.gz RTHFHXFLFNAQKS-ZIAGYGMSSA-N 1 2 339.222 3.927 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCS[C@H](C)CC3)n2)c1 ZINC000192184860 1024242148 /nfs/dbraw/zinc/24/21/48/1024242148.db2.gz XBSAXUPNOUKBHZ-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCS[C@H](C)CC3)n2)c1 ZINC000192184860 1024242163 /nfs/dbraw/zinc/24/21/63/1024242163.db2.gz XBSAXUPNOUKBHZ-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO CC1CCC(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425141338 1024310228 /nfs/dbraw/zinc/31/02/28/1024310228.db2.gz GIKAUMATNVYPST-HTWSVDAQSA-N 1 2 325.456 3.874 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC[NH2+]1 ZINC000505477248 1024320025 /nfs/dbraw/zinc/32/00/25/1024320025.db2.gz SCKMWQYPQQBSSZ-LNLFQRSKSA-N 1 2 344.499 3.631 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000425145344 1024323031 /nfs/dbraw/zinc/32/30/31/1024323031.db2.gz OBMRTGSMALXUPC-SJLPKXTDSA-N 1 2 334.423 3.624 20 0 EHADLO CCON(CC1CCCCC1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001299176755 1024335197 /nfs/dbraw/zinc/33/51/97/1024335197.db2.gz KSFGYUJOLMKLCQ-UHFFFAOYSA-N 1 2 343.427 3.552 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnn(C(C)C)c2)c2ccco2)cc1 ZINC000449783172 1033208537 /nfs/dbraw/zinc/20/85/37/1033208537.db2.gz ZVVHHKLHVNEAJG-LJQANCHMSA-N 1 2 325.412 3.945 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3ccc(Cl)c(C)c3)[nH+]c12 ZINC000520679276 1024403267 /nfs/dbraw/zinc/40/32/67/1024403267.db2.gz WTEOZHUJALLLSZ-UHFFFAOYSA-N 1 2 341.842 3.506 20 0 EHADLO CCn1c(C)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC000194372864 1024406656 /nfs/dbraw/zinc/40/66/56/1024406656.db2.gz IONUAJGJTIRNOT-UHFFFAOYSA-N 1 2 346.500 3.820 20 0 EHADLO CCc1cnc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)s1 ZINC000346118081 1024417999 /nfs/dbraw/zinc/41/79/99/1024417999.db2.gz CURDLFCYHBIOGL-UHFFFAOYSA-N 1 2 344.480 3.809 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)c1 ZINC000443686876 1024431641 /nfs/dbraw/zinc/43/16/41/1024431641.db2.gz WMMUPEGHYVSZFZ-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)c1 ZINC000443686876 1024431648 /nfs/dbraw/zinc/43/16/48/1024431648.db2.gz WMMUPEGHYVSZFZ-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCc2cc3ccccc3s2)c[nH+]1 ZINC000897852986 1033211887 /nfs/dbraw/zinc/21/18/87/1033211887.db2.gz PJAXBWIYLARKBR-UHFFFAOYSA-N 1 2 327.453 3.500 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc(C)cs1 ZINC000280939278 1024455068 /nfs/dbraw/zinc/45/50/68/1024455068.db2.gz HQPQMOIQVJPIBZ-MRXNPFEDSA-N 1 2 329.429 3.546 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614656548 1024459738 /nfs/dbraw/zinc/45/97/38/1024459738.db2.gz CRNWOJIVYJUQOX-ROUUACIJSA-N 1 2 339.483 4.000 20 0 EHADLO Cc1cc(CNc2cccc3c2CCN(C)C3=O)c2c([nH+]1)CCCC2 ZINC000895395331 1024465051 /nfs/dbraw/zinc/46/50/51/1024465051.db2.gz YSDFDEKJUZJWCV-UHFFFAOYSA-N 1 2 335.451 3.509 20 0 EHADLO CS[C@@H]1CCCCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346166460 1024480929 /nfs/dbraw/zinc/48/09/29/1024480929.db2.gz JHEVKPYTFBVPIO-CQSZACIVSA-N 1 2 339.574 3.627 20 0 EHADLO CS[C@@H]1CCCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346166460 1024480939 /nfs/dbraw/zinc/48/09/39/1024480939.db2.gz JHEVKPYTFBVPIO-CQSZACIVSA-N 1 2 339.574 3.627 20 0 EHADLO O=C(C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)NC1CCCC1 ZINC000434897858 1024488480 /nfs/dbraw/zinc/48/84/80/1024488480.db2.gz ZREWNTCXKUTVCY-UHFFFAOYSA-N 1 2 336.426 3.768 20 0 EHADLO O=C(C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)NC1CCCC1 ZINC000434897858 1024488491 /nfs/dbraw/zinc/48/84/91/1024488491.db2.gz ZREWNTCXKUTVCY-UHFFFAOYSA-N 1 2 336.426 3.768 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425241895 1024507216 /nfs/dbraw/zinc/50/72/16/1024507216.db2.gz NYWAOEUBRPWKLQ-IAGOWNOFSA-N 1 2 325.456 3.826 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@@](F)(c3ccccc3)C1)CSCC2 ZINC000895453612 1024509398 /nfs/dbraw/zinc/50/93/98/1024509398.db2.gz CSFLPAIENOULIB-IBGZPJMESA-N 1 2 345.487 3.670 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@@](F)(c3ccccc3)C1)CSCC2 ZINC000895453612 1024509410 /nfs/dbraw/zinc/50/94/10/1024509410.db2.gz CSFLPAIENOULIB-IBGZPJMESA-N 1 2 345.487 3.670 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425253413 1024523667 /nfs/dbraw/zinc/52/36/67/1024523667.db2.gz JXXKEXYYWUKSAR-NVXWUHKLSA-N 1 2 325.456 3.826 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccn(CCc3ccccc3)n2)cn1 ZINC000520728330 1024537823 /nfs/dbraw/zinc/53/78/23/1024537823.db2.gz IHLFNXLXAPUDHY-QGZVFWFLSA-N 1 2 337.471 3.754 20 0 EHADLO FC(F)(F)c1nc(CNC[C@@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000895468290 1024540305 /nfs/dbraw/zinc/54/03/05/1024540305.db2.gz INRAOXOHLAUQTC-AWEZNQCLSA-N 1 2 341.402 3.526 20 0 EHADLO FC(F)(F)c1nc(CNC[C@@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000895468290 1024540318 /nfs/dbraw/zinc/54/03/18/1024540318.db2.gz INRAOXOHLAUQTC-AWEZNQCLSA-N 1 2 341.402 3.526 20 0 EHADLO CCn1nccc1C[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000895481126 1024552408 /nfs/dbraw/zinc/55/24/08/1024552408.db2.gz PZKXICBELZBMPA-UHFFFAOYSA-N 1 2 346.631 3.748 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1Oc1cccc(F)c1 ZINC000346249244 1024569799 /nfs/dbraw/zinc/56/97/99/1024569799.db2.gz ISOQDQWJJOBWOS-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1OC ZINC000435033131 1024572949 /nfs/dbraw/zinc/57/29/49/1024572949.db2.gz JKNVBEUKFFNDMR-ROUUACIJSA-N 1 2 325.408 3.574 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1OC ZINC000435033131 1024572950 /nfs/dbraw/zinc/57/29/50/1024572950.db2.gz JKNVBEUKFFNDMR-ROUUACIJSA-N 1 2 325.408 3.574 20 0 EHADLO C[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000346254567 1024575340 /nfs/dbraw/zinc/57/53/40/1024575340.db2.gz VXZVKPBJYASMMW-XSCHDIRWSA-N 1 2 343.393 3.661 20 0 EHADLO Cc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000425274683 1024601537 /nfs/dbraw/zinc/60/15/37/1024601537.db2.gz ABNFYOQWFIKAAE-NVXWUHKLSA-N 1 2 329.831 3.628 20 0 EHADLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(C(F)F)c(F)c1 ZINC000892085601 1024618692 /nfs/dbraw/zinc/61/86/92/1024618692.db2.gz HFRIBMMRDSSVCK-UHFFFAOYSA-N 1 2 336.357 3.512 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(C(F)F)c(F)c1 ZINC000892085601 1024618696 /nfs/dbraw/zinc/61/86/96/1024618696.db2.gz HFRIBMMRDSSVCK-UHFFFAOYSA-N 1 2 336.357 3.512 20 0 EHADLO CCc1nc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)co1 ZINC000346051467 1024627980 /nfs/dbraw/zinc/62/79/80/1024627980.db2.gz JIDFCHWCZVYMAX-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO c1cn(CCOc2cccc(-c3cccc4c3OCCCO4)c2)c[nH+]1 ZINC000665202622 1024629453 /nfs/dbraw/zinc/62/94/53/1024629453.db2.gz JZJZFDFRFYEBTQ-UHFFFAOYSA-N 1 2 336.391 3.790 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(COCc3ccccc3)no2)c1 ZINC000346308560 1024634484 /nfs/dbraw/zinc/63/44/84/1024634484.db2.gz BUBMUFJBOBYKDH-UHFFFAOYSA-N 1 2 346.390 3.948 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000346355881 1024649923 /nfs/dbraw/zinc/64/99/23/1024649923.db2.gz LCADYLMTWYXZJX-HNNXBMFYSA-N 1 2 342.443 3.662 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccs1 ZINC000156895740 1024656249 /nfs/dbraw/zinc/65/62/49/1024656249.db2.gz CYKGVIGSTMKMTB-GFCCVEGCSA-N 1 2 335.498 3.933 20 0 EHADLO c1cc2cccc(-c3noc([C@H]4CCC[C@@H](c5ccccc5)[NH2+]4)n3)n2n1 ZINC001211884791 1024658582 /nfs/dbraw/zinc/65/85/82/1024658582.db2.gz HWNRFBWKJROJRL-DLBZAZTESA-N 1 2 345.406 3.940 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000281148233 1024676918 /nfs/dbraw/zinc/67/69/18/1024676918.db2.gz ZYMUBOOUOLLLMI-RTBURBONSA-N 1 2 345.483 3.551 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccccc1N(C)C ZINC000514688657 1024684995 /nfs/dbraw/zinc/68/49/95/1024684995.db2.gz MCKHPTUXAPIJDI-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000514688657 1024685001 /nfs/dbraw/zinc/68/50/01/1024685001.db2.gz MCKHPTUXAPIJDI-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000522800318 1024704454 /nfs/dbraw/zinc/70/44/54/1024704454.db2.gz SAEKYNDQVRKLPK-YJBOKZPZSA-N 1 2 332.492 3.720 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000522800318 1024704470 /nfs/dbraw/zinc/70/44/70/1024704470.db2.gz SAEKYNDQVRKLPK-YJBOKZPZSA-N 1 2 332.492 3.720 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307201 1024717280 /nfs/dbraw/zinc/71/72/80/1024717280.db2.gz CVZOETCYNCJNBO-FQEVSTJZSA-N 1 2 347.462 3.941 20 0 EHADLO COCC(C)(C)CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425310360 1024727364 /nfs/dbraw/zinc/72/73/64/1024727364.db2.gz XLMIRNBWLMSSIB-QGZVFWFLSA-N 1 2 343.471 3.501 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000505639502 1024736004 /nfs/dbraw/zinc/73/60/04/1024736004.db2.gz QOWUHNIPOXPWJN-RDTXWAMCSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000505639502 1024736017 /nfs/dbraw/zinc/73/60/17/1024736017.db2.gz QOWUHNIPOXPWJN-RDTXWAMCSA-N 1 2 342.439 3.872 20 0 EHADLO CC(C)[C@H]1N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425315386 1024752058 /nfs/dbraw/zinc/75/20/58/1024752058.db2.gz OJPIFUBFYWUHHM-PKOBYXMFSA-N 1 2 337.467 3.969 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C2CC2)cn1 ZINC000639358467 1024756122 /nfs/dbraw/zinc/75/61/22/1024756122.db2.gz YEYYJJZJAKNOBI-MSOLQXFVSA-N 1 2 341.459 3.571 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000520784111 1024766908 /nfs/dbraw/zinc/76/69/08/1024766908.db2.gz TUGVXKGLKHRTLT-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000520784111 1024766918 /nfs/dbraw/zinc/76/69/18/1024766918.db2.gz TUGVXKGLKHRTLT-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCN(c2ccc(F)cc2Cl)CC1 ZINC000425331321 1024769975 /nfs/dbraw/zinc/76/99/75/1024769975.db2.gz CMOVVZWSCPKECK-UHFFFAOYSA-N 1 2 336.842 3.579 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H](C2CCCC2)C1 ZINC000425327383 1024772306 /nfs/dbraw/zinc/77/23/06/1024772306.db2.gz NEZDBMSWTMQOMV-RBUKOAKNSA-N 1 2 337.467 3.970 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326553 1024784131 /nfs/dbraw/zinc/78/41/31/1024784131.db2.gz JANFSJBDWZUKBT-ROUUACIJSA-N 1 2 345.874 3.857 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(Br)cc2F)[nH+]1 ZINC000343800845 1024807591 /nfs/dbraw/zinc/80/75/91/1024807591.db2.gz CAUPCRXFCIEYAB-QMMMGPOBSA-N 1 2 349.207 3.763 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000427823449 1024808046 /nfs/dbraw/zinc/80/80/46/1024808046.db2.gz UBZIUMCARRBBTR-FQEVSTJZSA-N 1 2 338.426 3.813 20 0 EHADLO Cc1ccc(Nc2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000536449659 1024837580 /nfs/dbraw/zinc/83/75/80/1024837580.db2.gz VOBQBUASQCRAED-UHFFFAOYSA-N 1 2 349.525 3.761 20 0 EHADLO COc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000346538696 1024842351 /nfs/dbraw/zinc/84/23/51/1024842351.db2.gz DYADGIWBRJFDGP-AWEZNQCLSA-N 1 2 345.406 3.997 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)cc1Cl ZINC000375655975 1024846993 /nfs/dbraw/zinc/84/69/93/1024846993.db2.gz OKHXLUPAEATWLZ-SJKOYZFVSA-N 1 2 331.847 3.877 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427868696 1024852818 /nfs/dbraw/zinc/85/28/18/1024852818.db2.gz WXXQVDALTBMPOB-ZBFHGGJFSA-N 1 2 343.389 3.715 20 0 EHADLO Cc1ccn2c(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cnc2c1 ZINC000425365006 1024867917 /nfs/dbraw/zinc/86/79/17/1024867917.db2.gz IFOMYXDCIQJOKW-IEBWSBKVSA-N 1 2 341.842 3.604 20 0 EHADLO Cc1ccn2c(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cnc2c1 ZINC000425365006 1024867929 /nfs/dbraw/zinc/86/79/29/1024867929.db2.gz IFOMYXDCIQJOKW-IEBWSBKVSA-N 1 2 341.842 3.604 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000346552884 1024892521 /nfs/dbraw/zinc/89/25/21/1024892521.db2.gz JJYRAFLNOABEFC-FQEVSTJZSA-N 1 2 336.414 3.561 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000346556208 1024897113 /nfs/dbraw/zinc/89/71/13/1024897113.db2.gz YUCNYZKQYJNTCM-UHFFFAOYSA-N 1 2 328.803 3.960 20 0 EHADLO Cn1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c2cc(F)ccc21 ZINC000435404754 1024901419 /nfs/dbraw/zinc/90/14/19/1024901419.db2.gz GFKRFFWXJJPSCR-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO C[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(Cl)c1 ZINC000071953586 1024922375 /nfs/dbraw/zinc/92/23/75/1024922375.db2.gz DFAWWRIGSWUBAV-UHFFFAOYSA-N 1 2 329.271 3.828 20 0 EHADLO C[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(Cl)c1 ZINC000071953586 1024922383 /nfs/dbraw/zinc/92/23/83/1024922383.db2.gz DFAWWRIGSWUBAV-UHFFFAOYSA-N 1 2 329.271 3.828 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435448538 1024932963 /nfs/dbraw/zinc/93/29/63/1024932963.db2.gz XOQOLGHOTJPWNV-CQSZACIVSA-N 1 2 325.474 3.581 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435448538 1024932971 /nfs/dbraw/zinc/93/29/71/1024932971.db2.gz XOQOLGHOTJPWNV-CQSZACIVSA-N 1 2 325.474 3.581 20 0 EHADLO COc1cccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)n1 ZINC001211885642 1024976672 /nfs/dbraw/zinc/97/66/72/1024976672.db2.gz RIMBNRACBWWIFK-GOEBONIOSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1nc(C[N@@H+](C)CCNC(=O)C(C)C)oc1-c1ccc(Cl)cc1 ZINC000157650024 1024992569 /nfs/dbraw/zinc/99/25/69/1024992569.db2.gz XDNTVUVTWDAQGT-UHFFFAOYSA-N 1 2 349.862 3.507 20 0 EHADLO Cc1nc(C[N@H+](C)CCNC(=O)C(C)C)oc1-c1ccc(Cl)cc1 ZINC000157650024 1024992575 /nfs/dbraw/zinc/99/25/75/1024992575.db2.gz XDNTVUVTWDAQGT-UHFFFAOYSA-N 1 2 349.862 3.507 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c(C2CC2)n1 ZINC000895938705 1024994581 /nfs/dbraw/zinc/99/45/81/1024994581.db2.gz JKZBVESUOXUMJH-UHFFFAOYSA-N 1 2 344.365 3.521 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc(C)c1O ZINC000515093494 1025015231 /nfs/dbraw/zinc/01/52/31/1025015231.db2.gz KMKMZBQJDOBGBS-SFHVURJKSA-N 1 2 333.378 3.861 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc(C)c1O ZINC000515093494 1025015245 /nfs/dbraw/zinc/01/52/45/1025015245.db2.gz KMKMZBQJDOBGBS-SFHVURJKSA-N 1 2 333.378 3.861 20 0 EHADLO CC[C@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CCCO1 ZINC000281421813 1025018496 /nfs/dbraw/zinc/01/84/96/1025018496.db2.gz YYSIYRKHJXRJNV-INIZCTEOSA-N 1 2 332.469 3.723 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CCCO1 ZINC000281421813 1025018512 /nfs/dbraw/zinc/01/85/12/1025018512.db2.gz YYSIYRKHJXRJNV-INIZCTEOSA-N 1 2 332.469 3.723 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)o1 ZINC000428204965 1025045131 /nfs/dbraw/zinc/04/51/31/1025045131.db2.gz JPZOVYSHHAZLQY-AWEZNQCLSA-N 1 2 349.425 3.702 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000428219012 1025054650 /nfs/dbraw/zinc/05/46/50/1025054650.db2.gz XBHLUCFWXOABDE-UHFFFAOYSA-N 1 2 347.484 3.516 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000428219012 1025054661 /nfs/dbraw/zinc/05/46/61/1025054661.db2.gz XBHLUCFWXOABDE-UHFFFAOYSA-N 1 2 347.484 3.516 20 0 EHADLO Clc1ccccc1-c1ccc(N2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000892158629 1025100678 /nfs/dbraw/zinc/10/06/78/1025100678.db2.gz BTOMFJKQPLGUJY-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Cn1ccc([C@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2ccc(F)cc2)n1 ZINC000665269200 1025108758 /nfs/dbraw/zinc/10/87/58/1025108758.db2.gz BHXBBEVQIJHROG-AZUAARDMSA-N 1 2 336.414 3.508 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000281497479 1025112353 /nfs/dbraw/zinc/11/23/53/1025112353.db2.gz GOTMQYGZVNJFNY-GOSISDBHSA-N 1 2 333.863 3.999 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000281497479 1025112359 /nfs/dbraw/zinc/11/23/59/1025112359.db2.gz GOTMQYGZVNJFNY-GOSISDBHSA-N 1 2 333.863 3.999 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)cc(C)cc1C ZINC000277443061 1025112822 /nfs/dbraw/zinc/11/28/22/1025112822.db2.gz FLXDBBJLNMPDBZ-UHFFFAOYSA-N 1 2 327.472 3.923 20 0 EHADLO c1cn(-c2ccnc(-c3nc(CSCc4ccccc4)no3)c2)c[nH+]1 ZINC000346809325 1025131020 /nfs/dbraw/zinc/13/10/20/1025131020.db2.gz FVMBCUJOYSUEST-UHFFFAOYSA-N 1 2 349.419 3.751 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000435793788 1025140690 /nfs/dbraw/zinc/14/06/90/1025140690.db2.gz DNJKSEJPNKJSIA-CWFSZBLJSA-N 1 2 331.419 3.538 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)cs1 ZINC000281535173 1025144345 /nfs/dbraw/zinc/14/43/45/1025144345.db2.gz IKHPVIZDBWPXEK-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1Cl ZINC000511065335 1025175015 /nfs/dbraw/zinc/17/50/15/1025175015.db2.gz NYFILWSKVFXTID-AWEZNQCLSA-N 1 2 344.842 3.900 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1Cl ZINC000511065335 1025175022 /nfs/dbraw/zinc/17/50/22/1025175022.db2.gz NYFILWSKVFXTID-AWEZNQCLSA-N 1 2 344.842 3.900 20 0 EHADLO COc1ccc(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000346077202 1025177507 /nfs/dbraw/zinc/17/75/07/1025177507.db2.gz RBQSODSCFRJXIE-UHFFFAOYSA-N 1 2 346.390 3.581 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000442209624 1025204779 /nfs/dbraw/zinc/20/47/79/1025204779.db2.gz PHPDUHHCDJFWLK-VIFPVBQESA-N 1 2 340.761 3.753 20 0 EHADLO CCCCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442246359 1025225292 /nfs/dbraw/zinc/22/52/92/1025225292.db2.gz ZXGUQRQKSWDABG-SFHVURJKSA-N 1 2 328.460 3.683 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC2CC2)c(C)c1 ZINC000442234096 1025228643 /nfs/dbraw/zinc/22/86/43/1025228643.db2.gz GQCYNHVWABJFHS-LJQANCHMSA-N 1 2 340.471 3.683 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ccc(C(F)F)nc1)c1cccc(Cl)c1 ZINC000622923375 1025256112 /nfs/dbraw/zinc/25/61/12/1025256112.db2.gz NEZGCGGVFCIVSN-CQSZACIVSA-N 1 2 339.773 3.914 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728471400 1025274554 /nfs/dbraw/zinc/27/45/54/1025274554.db2.gz LJCGDPQOONSLTM-CYBMUJFWSA-N 1 2 342.439 3.526 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(OC)c(OC)cc1C ZINC000436031159 1025313975 /nfs/dbraw/zinc/31/39/75/1025313975.db2.gz XEZURUAMXGCXND-UHFFFAOYSA-N 1 2 343.402 3.555 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(CC2(CSc3ccccc3)CC2)n1 ZINC000346940569 1025317167 /nfs/dbraw/zinc/31/71/67/1025317167.db2.gz JQIPYWLUNGGJCC-UHFFFAOYSA-N 1 2 340.452 3.509 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C(F)F)no2)C(C)(C)C)cc1 ZINC000425457700 1025339843 /nfs/dbraw/zinc/33/98/43/1025339843.db2.gz LBBWFXIPVFNGJD-UHFFFAOYSA-N 1 2 325.359 3.817 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C(F)F)no2)C(C)(C)C)cc1 ZINC000425457700 1025339855 /nfs/dbraw/zinc/33/98/55/1025339855.db2.gz LBBWFXIPVFNGJD-UHFFFAOYSA-N 1 2 325.359 3.817 20 0 EHADLO CC1(C)OCCC12CC[NH+](Cc1csc(C(F)(F)F)n1)CC2 ZINC001141886267 1025343843 /nfs/dbraw/zinc/34/38/43/1025343843.db2.gz TZONJANBQCFMKG-UHFFFAOYSA-N 1 2 334.407 3.943 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000582126591 1025347462 /nfs/dbraw/zinc/34/74/62/1025347462.db2.gz LTAGKXBZMAZJRU-QGZVFWFLSA-N 1 2 325.456 3.513 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Cl ZINC000152671549 1025380242 /nfs/dbraw/zinc/38/02/42/1025380242.db2.gz AUVYFEQFHPIGMG-GUYCJALGSA-N 1 2 331.847 3.612 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000521439242 1025392007 /nfs/dbraw/zinc/39/20/07/1025392007.db2.gz IPJKCTFJJVIKLL-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000521439242 1025392022 /nfs/dbraw/zinc/39/20/22/1025392022.db2.gz IPJKCTFJJVIKLL-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3cn(C4CCC4)nn3)c(C)c2c1 ZINC000657352816 1025401598 /nfs/dbraw/zinc/40/15/98/1025401598.db2.gz DENCPARUYKVNNX-CYBMUJFWSA-N 1 2 340.427 3.917 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000347027123 1025433735 /nfs/dbraw/zinc/43/37/35/1025433735.db2.gz UOVGDWGIFKNVDX-KBPBESRZSA-N 1 2 343.393 3.547 20 0 EHADLO FC(F)(F)[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CCS1 ZINC000896454900 1025446127 /nfs/dbraw/zinc/44/61/27/1025446127.db2.gz BGPBSYGIZUFSCT-NSHDSACASA-N 1 2 333.404 3.618 20 0 EHADLO FC(F)(F)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CCS1 ZINC000896454900 1025446136 /nfs/dbraw/zinc/44/61/36/1025446136.db2.gz BGPBSYGIZUFSCT-NSHDSACASA-N 1 2 333.404 3.618 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c[nH+]1 ZINC000896487450 1025473905 /nfs/dbraw/zinc/47/39/05/1025473905.db2.gz HSDMYDPEBCPIKW-DLBZAZTESA-N 1 2 325.456 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2OC(C)C)c1C ZINC000521577244 1025488567 /nfs/dbraw/zinc/48/85/67/1025488567.db2.gz XNYAIGCFIRNEIA-UHFFFAOYSA-N 1 2 342.439 3.766 20 0 EHADLO Cc1cc(NC(=O)N2CCc3c(cccc3C(F)(F)F)C2)c(C)c[nH+]1 ZINC000529044949 1033285802 /nfs/dbraw/zinc/28/58/02/1033285802.db2.gz YBPBTIPLYGHCRH-UHFFFAOYSA-N 1 2 349.356 3.729 20 0 EHADLO OCCC[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1Cl ZINC000347104806 1025529397 /nfs/dbraw/zinc/52/93/97/1025529397.db2.gz TYCZTUMSGIZTLA-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1Cl ZINC000347104806 1025529402 /nfs/dbraw/zinc/52/94/02/1025529402.db2.gz TYCZTUMSGIZTLA-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@](=O)C1 ZINC000277511548 1025547411 /nfs/dbraw/zinc/54/74/11/1025547411.db2.gz QDQFOJRXAANTRM-HJPURHCSSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@](=O)C1 ZINC000277511548 1025547422 /nfs/dbraw/zinc/54/74/22/1025547422.db2.gz QDQFOJRXAANTRM-HJPURHCSSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909557609 1025570540 /nfs/dbraw/zinc/57/05/40/1025570540.db2.gz MJHLWWYZUFTASB-OAHLLOKOSA-N 1 2 328.460 3.550 20 0 EHADLO Cn1nc(C[NH2+]Cc2cc3cc(F)ccc3o2)cc1C(F)(F)F ZINC000898021731 1033293837 /nfs/dbraw/zinc/29/38/37/1033293837.db2.gz SARYZPJPEXTZOT-UHFFFAOYSA-N 1 2 327.281 3.614 20 0 EHADLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000329171555 1025644680 /nfs/dbraw/zinc/64/46/80/1025644680.db2.gz KOHMBXOGOJWPPF-GJZGRUSLSA-N 1 2 332.835 3.578 20 0 EHADLO Fc1cccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000521807206 1025680758 /nfs/dbraw/zinc/68/07/58/1025680758.db2.gz QEEVUTTZMOSRPA-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO Fc1cccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000521807206 1025680769 /nfs/dbraw/zinc/68/07/69/1025680769.db2.gz QEEVUTTZMOSRPA-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443064286 1025681889 /nfs/dbraw/zinc/68/18/89/1025681889.db2.gz FZRGCEULOKGYSO-UHFFFAOYSA-N 1 2 335.455 3.726 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443064286 1025681895 /nfs/dbraw/zinc/68/18/95/1025681895.db2.gz FZRGCEULOKGYSO-UHFFFAOYSA-N 1 2 335.455 3.726 20 0 EHADLO Cc1cc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)ccn1 ZINC000347228235 1025693926 /nfs/dbraw/zinc/69/39/26/1025693926.db2.gz FGAKFLGHHRGZSL-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO Fc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)c(C(F)(F)F)c1 ZINC000896598646 1025702653 /nfs/dbraw/zinc/70/26/53/1025702653.db2.gz DAVHKMANVNYEAG-CQSZACIVSA-N 1 2 325.309 3.875 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000521822521 1025709204 /nfs/dbraw/zinc/70/92/04/1025709204.db2.gz UKQFNOSOSGCBOT-SNVBAGLBSA-N 1 2 342.226 3.921 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000521822521 1025709212 /nfs/dbraw/zinc/70/92/12/1025709212.db2.gz UKQFNOSOSGCBOT-SNVBAGLBSA-N 1 2 342.226 3.921 20 0 EHADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000413466052 1025741131 /nfs/dbraw/zinc/74/11/31/1025741131.db2.gz BHEWTGIYSQWCKP-VNHYZAJKSA-N 1 2 346.862 3.510 20 0 EHADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000413466052 1025741143 /nfs/dbraw/zinc/74/11/43/1025741143.db2.gz BHEWTGIYSQWCKP-VNHYZAJKSA-N 1 2 346.862 3.510 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCOc3ccc(Br)cc32)no1 ZINC000281943616 1025752959 /nfs/dbraw/zinc/75/29/59/1025752959.db2.gz BQEPUYFFFSRNAO-GXFFZTMASA-N 1 2 337.217 3.920 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCOc2ccccc2F)c(C)[nH+]1 ZINC000436491932 1025774601 /nfs/dbraw/zinc/77/46/01/1025774601.db2.gz IVGLMWCYLMBKPT-UHFFFAOYSA-N 1 2 331.391 3.689 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)CC(C)(C)C ZINC000443168449 1025776276 /nfs/dbraw/zinc/77/62/76/1025776276.db2.gz OMDCZIREICHBJV-WBVHZDCISA-N 1 2 333.476 3.707 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000158297521 1025779664 /nfs/dbraw/zinc/77/96/64/1025779664.db2.gz DJPIYFOZDLMDNP-OAHLLOKOSA-N 1 2 337.423 3.862 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000158297521 1025779682 /nfs/dbraw/zinc/77/96/82/1025779682.db2.gz DJPIYFOZDLMDNP-OAHLLOKOSA-N 1 2 337.423 3.862 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000443169874 1025781210 /nfs/dbraw/zinc/78/12/10/1025781210.db2.gz JYMWVJWBZYROAD-DOTOQJQBSA-N 1 2 326.444 3.640 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000436499660 1025784287 /nfs/dbraw/zinc/78/42/87/1025784287.db2.gz XUSLUCRTLAUPTB-ZDUSSCGKSA-N 1 2 340.427 3.848 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374026852 1025834629 /nfs/dbraw/zinc/83/46/29/1025834629.db2.gz KVDFFSFXGALYAQ-XNJGSVPQSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374026852 1025834651 /nfs/dbraw/zinc/83/46/51/1025834651.db2.gz KVDFFSFXGALYAQ-XNJGSVPQSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374026851 1025835226 /nfs/dbraw/zinc/83/52/26/1025835226.db2.gz KVDFFSFXGALYAQ-PBFPGSCMSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374026851 1025835243 /nfs/dbraw/zinc/83/52/43/1025835243.db2.gz KVDFFSFXGALYAQ-PBFPGSCMSA-N 1 2 327.827 3.638 20 0 EHADLO CCCc1ccccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051588275 1025835292 /nfs/dbraw/zinc/83/52/92/1025835292.db2.gz GBUSVNZCFAZPTL-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000119743080 1025859337 /nfs/dbraw/zinc/85/93/37/1025859337.db2.gz QNCGNSDLYFKHFH-JSGCOSHPSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000119743080 1025859361 /nfs/dbraw/zinc/85/93/61/1025859361.db2.gz QNCGNSDLYFKHFH-JSGCOSHPSA-N 1 2 342.842 3.553 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000444166730 1025860339 /nfs/dbraw/zinc/86/03/39/1025860339.db2.gz KMJIYALTJJMQFH-IAQYHMDHSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000444166730 1025860358 /nfs/dbraw/zinc/86/03/58/1025860358.db2.gz KMJIYALTJJMQFH-IAQYHMDHSA-N 1 2 333.432 3.612 20 0 EHADLO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccn2cc[nH+]c2c1 ZINC000474925153 1025891743 /nfs/dbraw/zinc/89/17/43/1025891743.db2.gz OZMMEXJPPWPTTL-UHFFFAOYSA-N 1 2 348.233 3.890 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c(F)c1 ZINC000121824255 1025893502 /nfs/dbraw/zinc/89/35/02/1025893502.db2.gz IAXCWRVANLITRW-UHFFFAOYSA-N 1 2 343.377 3.885 20 0 EHADLO COc1ccc(-c2n[nH]cc2CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000121842301 1025908993 /nfs/dbraw/zinc/90/89/93/1025908993.db2.gz KGARCFDIXPKBJZ-UHFFFAOYSA-N 1 2 345.406 3.883 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(C)c1 ZINC000443327743 1025916150 /nfs/dbraw/zinc/91/61/50/1025916150.db2.gz HPWPVLNXEFLPDH-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(C)c1 ZINC000443327743 1025916166 /nfs/dbraw/zinc/91/61/66/1025916166.db2.gz HPWPVLNXEFLPDH-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(CF)CC1 ZINC000451397041 1025922572 /nfs/dbraw/zinc/92/25/72/1025922572.db2.gz UFXOIWNJJYCLQU-GFCCVEGCSA-N 1 2 346.402 3.644 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404075 1025934793 /nfs/dbraw/zinc/93/47/93/1025934793.db2.gz FRGXSBYRAAYRTO-SCZZXKLOSA-N 1 2 329.288 3.602 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404075 1025934799 /nfs/dbraw/zinc/93/47/99/1025934799.db2.gz FRGXSBYRAAYRTO-SCZZXKLOSA-N 1 2 329.288 3.602 20 0 EHADLO O=C(C[NH+]1CCCCCCC1)Nc1ccccc1Br ZINC000007486831 1025957857 /nfs/dbraw/zinc/95/78/57/1025957857.db2.gz PQQPLFGNPAORPG-UHFFFAOYSA-N 1 2 325.250 3.654 20 0 EHADLO Cc1c(Br)cncc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000657402689 1025970906 /nfs/dbraw/zinc/97/09/06/1025970906.db2.gz IZKIGNILWXMWBI-UHFFFAOYSA-N 1 2 349.276 3.754 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)[nH+]c1C ZINC000896916387 1025996002 /nfs/dbraw/zinc/99/60/02/1025996002.db2.gz XNAHINXHDBBFTB-QMMMGPOBSA-N 1 2 326.227 3.753 20 0 EHADLO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)cc1 ZINC001279145288 1025999834 /nfs/dbraw/zinc/99/98/34/1025999834.db2.gz XNOPNPZAPNDEGS-IYBDPMFKSA-N 1 2 330.369 3.817 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000522135756 1026010429 /nfs/dbraw/zinc/01/04/29/1026010429.db2.gz BJQDUPGIZTVOGI-SFHVURJKSA-N 1 2 333.435 3.757 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c1C ZINC000113266283 1026028200 /nfs/dbraw/zinc/02/82/00/1026028200.db2.gz VTPHVXUYZGSGAJ-UHFFFAOYSA-N 1 2 346.858 3.845 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c1C ZINC000113266283 1026028218 /nfs/dbraw/zinc/02/82/18/1026028218.db2.gz VTPHVXUYZGSGAJ-UHFFFAOYSA-N 1 2 346.858 3.845 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ccccn3)CC2)c(OC(F)F)cc1C ZINC000505863902 1026039053 /nfs/dbraw/zinc/03/90/53/1026039053.db2.gz IATCVGDKCOJZQT-UHFFFAOYSA-N 1 2 347.409 3.622 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2O1 ZINC000530563801 1026061697 /nfs/dbraw/zinc/06/16/97/1026061697.db2.gz GRUDQQRECUDIFD-UHFFFAOYSA-N 1 2 333.391 3.838 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000314621674 1026062678 /nfs/dbraw/zinc/06/26/78/1026062678.db2.gz JXAPQXKUYRCUIV-PWSUYJOCSA-N 1 2 334.466 3.817 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CC(C)C)C2CC2)s1 ZINC000121979102 1026067002 /nfs/dbraw/zinc/06/70/02/1026067002.db2.gz MCELEJSMYPWORF-CQSZACIVSA-N 1 2 337.533 3.654 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CC(C)C)C2CC2)s1 ZINC000121979102 1026067021 /nfs/dbraw/zinc/06/70/21/1026067021.db2.gz MCELEJSMYPWORF-CQSZACIVSA-N 1 2 337.533 3.654 20 0 EHADLO Cc1cnc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000451526633 1026081232 /nfs/dbraw/zinc/08/12/32/1026081232.db2.gz IMCNADNEBGVSJA-UHFFFAOYSA-N 1 2 333.838 3.985 20 0 EHADLO CCCCO[C@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896826575 1026102355 /nfs/dbraw/zinc/10/23/55/1026102355.db2.gz ZYBVVIVBYQZTHK-CQSZACIVSA-N 1 2 326.400 3.724 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000684854601 1026128342 /nfs/dbraw/zinc/12/83/42/1026128342.db2.gz WHLZFXZZXNOJFF-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000516208352 1026138342 /nfs/dbraw/zinc/13/83/42/1026138342.db2.gz OGPSBOZHMFQZJG-MAUKXSAKSA-N 1 2 326.444 3.592 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2c(s1)CCC2 ZINC000122095854 1026180127 /nfs/dbraw/zinc/18/01/27/1026180127.db2.gz FIVFACWIAOHDBU-UHFFFAOYSA-N 1 2 347.509 3.932 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000475127151 1026222197 /nfs/dbraw/zinc/22/21/97/1026222197.db2.gz HUPZPGBVAPZZDD-VQTJNVASSA-N 1 2 345.483 3.826 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000475127151 1026222210 /nfs/dbraw/zinc/22/22/10/1026222210.db2.gz HUPZPGBVAPZZDD-VQTJNVASSA-N 1 2 345.483 3.826 20 0 EHADLO O=C(/C=C/c1cncc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000104346226 1026233863 /nfs/dbraw/zinc/23/38/63/1026233863.db2.gz SHLMXNICSRSEIA-DAFODLJHSA-N 1 2 342.761 3.712 20 0 EHADLO CC(=O)c1cc(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)on1 ZINC000582428278 1026235463 /nfs/dbraw/zinc/23/54/63/1026235463.db2.gz GTQRZOLNXZZGRV-UHFFFAOYSA-N 1 2 347.846 3.551 20 0 EHADLO CC(=O)c1cc(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)on1 ZINC000582428278 1026235475 /nfs/dbraw/zinc/23/54/75/1026235475.db2.gz GTQRZOLNXZZGRV-UHFFFAOYSA-N 1 2 347.846 3.551 20 0 EHADLO Brc1cccc2c(N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc[nH+]c12 ZINC000897078704 1026310363 /nfs/dbraw/zinc/31/03/63/1026310363.db2.gz VIZALKYHZCUFDT-UOCYRSESSA-N 1 2 331.213 3.585 20 0 EHADLO COCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000190135450 1026332040 /nfs/dbraw/zinc/33/20/40/1026332040.db2.gz ICRKUAKXBIEUNP-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO COCc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000190135450 1026332049 /nfs/dbraw/zinc/33/20/49/1026332049.db2.gz ICRKUAKXBIEUNP-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843252 1026337204 /nfs/dbraw/zinc/33/72/04/1026337204.db2.gz GHNZEYZEAHJAQU-AUUYWEPGSA-N 1 2 328.456 3.596 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843252 1026337220 /nfs/dbraw/zinc/33/72/20/1026337220.db2.gz GHNZEYZEAHJAQU-AUUYWEPGSA-N 1 2 328.456 3.596 20 0 EHADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2nccs2)nc[nH+]1 ZINC000413491122 1026355265 /nfs/dbraw/zinc/35/52/65/1026355265.db2.gz YPAYJCINRLITGV-XEZPLFJOSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1 ZINC000413491122 1026355273 /nfs/dbraw/zinc/35/52/73/1026355273.db2.gz YPAYJCINRLITGV-XEZPLFJOSA-N 1 2 347.488 3.722 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(C(=O)NC)cc1 ZINC000167823803 1026364137 /nfs/dbraw/zinc/36/41/37/1026364137.db2.gz OFDMCRAMEVYCAY-UHFFFAOYSA-N 1 2 342.830 3.681 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(F)c1 ZINC000582473266 1026381483 /nfs/dbraw/zinc/38/14/83/1026381483.db2.gz LHUXWMPCFBDYIA-LBPRGKRZSA-N 1 2 345.418 3.815 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(F)c1 ZINC000582473266 1026381494 /nfs/dbraw/zinc/38/14/94/1026381494.db2.gz LHUXWMPCFBDYIA-LBPRGKRZSA-N 1 2 345.418 3.815 20 0 EHADLO O=C(c1ccc(-c2ccccc2)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342588713 1026394934 /nfs/dbraw/zinc/39/49/34/1026394934.db2.gz JMUWOQNKSPGSAO-QGZVFWFLSA-N 1 2 334.375 3.635 20 0 EHADLO CCC(CC)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000530917831 1026398148 /nfs/dbraw/zinc/39/81/48/1026398148.db2.gz GMUCUIOIBNBBOS-UHFFFAOYSA-N 1 2 326.444 3.735 20 0 EHADLO Fc1cccc(F)c1CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000451960571 1026399545 /nfs/dbraw/zinc/39/95/45/1026399545.db2.gz PTRIIQVIGPCZQA-UHFFFAOYSA-N 1 2 333.382 3.680 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3C[C@H](C)OC4(CCC4)C3)co2)cc1 ZINC000582484260 1026399808 /nfs/dbraw/zinc/39/98/08/1026399808.db2.gz CYICCDKLGKFPAP-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C)OC4(CCC4)C3)co2)cc1 ZINC000582484260 1026399812 /nfs/dbraw/zinc/39/98/12/1026399812.db2.gz CYICCDKLGKFPAP-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc2n1C ZINC000530960901 1026434979 /nfs/dbraw/zinc/43/49/79/1026434979.db2.gz ZCORZDKFAUQQTQ-UHFFFAOYSA-N 1 2 349.843 3.644 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C2CC2)O1 ZINC000475296410 1026448678 /nfs/dbraw/zinc/44/86/78/1026448678.db2.gz USPRKRGPOASPRN-MEDUHNTESA-N 1 2 347.352 3.766 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C2CC2)O1 ZINC000475296410 1026448687 /nfs/dbraw/zinc/44/86/87/1026448687.db2.gz USPRKRGPOASPRN-MEDUHNTESA-N 1 2 347.352 3.766 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000112632726 1026461232 /nfs/dbraw/zinc/46/12/32/1026461232.db2.gz WKWOTDWCZFOGSO-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1ccccc1F ZINC000523018004 1026505909 /nfs/dbraw/zinc/50/59/09/1026505909.db2.gz WWWSODFCTJXVLH-UHFFFAOYSA-N 1 2 330.378 3.783 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452208094 1026574525 /nfs/dbraw/zinc/57/45/25/1026574525.db2.gz OYYASQSGCKPZCS-RDBSUJKOSA-N 1 2 329.831 3.578 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC(F)(F)C1 ZINC000452211184 1026576808 /nfs/dbraw/zinc/57/68/08/1026576808.db2.gz YHMWECGNZKDGFW-LLVKDONJSA-N 1 2 339.773 3.577 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000684914909 1026576729 /nfs/dbraw/zinc/57/67/29/1026576729.db2.gz FWWAPGPMBHSGPM-CVEARBPZSA-N 1 2 339.430 3.540 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000684914909 1026576735 /nfs/dbraw/zinc/57/67/35/1026576735.db2.gz FWWAPGPMBHSGPM-CVEARBPZSA-N 1 2 339.430 3.540 20 0 EHADLO CN(C)C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1 ZINC000657467010 1026593842 /nfs/dbraw/zinc/59/38/42/1026593842.db2.gz DOJZOOFDJKOKPJ-SFHVURJKSA-N 1 2 346.421 3.899 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CC(C)(C)C2)C[C@H](C)O1 ZINC000665626439 1026608164 /nfs/dbraw/zinc/60/81/64/1026608164.db2.gz XWXHAUCNAWHSRE-GASCZTMLSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CC(C)(C)C2)C[C@H](C)O1 ZINC000665626439 1026608171 /nfs/dbraw/zinc/60/81/71/1026608171.db2.gz XWXHAUCNAWHSRE-GASCZTMLSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2=CCCC2)C[C@H](C)O1 ZINC000665625694 1026609228 /nfs/dbraw/zinc/60/92/28/1026609228.db2.gz JSWWBADFRDIQPW-IYBDPMFKSA-N 1 2 343.471 3.528 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2=CCCC2)C[C@H](C)O1 ZINC000665625694 1026609232 /nfs/dbraw/zinc/60/92/32/1026609232.db2.gz JSWWBADFRDIQPW-IYBDPMFKSA-N 1 2 343.471 3.528 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000582564811 1026610376 /nfs/dbraw/zinc/61/03/76/1026610376.db2.gz ZBPOEBPAIPQIBC-GOSISDBHSA-N 1 2 346.471 3.929 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000582564811 1026610380 /nfs/dbraw/zinc/61/03/80/1026610380.db2.gz ZBPOEBPAIPQIBC-GOSISDBHSA-N 1 2 346.471 3.929 20 0 EHADLO O=C(CCCCC(=O)c1ccccc1)Nc1c[nH+]c2n1CCCC2 ZINC000452331866 1026664979 /nfs/dbraw/zinc/66/49/79/1026664979.db2.gz FQOWDDAJRQDJDQ-UHFFFAOYSA-N 1 2 325.412 3.601 20 0 EHADLO CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(Cl)cc1 ZINC000193047607 1026669008 /nfs/dbraw/zinc/66/90/08/1026669008.db2.gz WWEDYPXBZXCIEU-UHFFFAOYSA-N 1 2 345.859 3.888 20 0 EHADLO Cc1cc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000301083815 1026680624 /nfs/dbraw/zinc/68/06/24/1026680624.db2.gz KSEHNEUXHWXFLW-MRXNPFEDSA-N 1 2 338.455 3.764 20 0 EHADLO Fc1ccc(-c2ccc(NCCc3cn4ccccc4[nH+]3)nn2)cc1 ZINC000301108768 1026689309 /nfs/dbraw/zinc/68/93/09/1026689309.db2.gz OAZXJNGVJYWLSJ-UHFFFAOYSA-N 1 2 333.370 3.585 20 0 EHADLO O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1c[nH+]c2n1CCCC2 ZINC000452336252 1026691515 /nfs/dbraw/zinc/69/15/15/1026691515.db2.gz USENZRGHAZVXIR-CYBMUJFWSA-N 1 2 337.345 3.894 20 0 EHADLO COc1cccc(-c2nc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)co2)c1 ZINC000639579838 1026694004 /nfs/dbraw/zinc/69/40/04/1026694004.db2.gz HFVWKWYOGOQMCA-CQSZACIVSA-N 1 2 340.427 3.978 20 0 EHADLO FC(F)(F)c1cccc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000301130239 1026696684 /nfs/dbraw/zinc/69/66/84/1026696684.db2.gz QTQDJGVGRWUATB-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO COc1ccccc1N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301130207 1026696776 /nfs/dbraw/zinc/69/67/76/1026696776.db2.gz QROSCGPXOKZWRA-INIZCTEOSA-N 1 2 340.471 3.855 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(-c2ccccc2C(F)(F)F)n1)c1cn[nH]c1 ZINC000639584456 1026715010 /nfs/dbraw/zinc/71/50/10/1026715010.db2.gz XMBFJGSNWRCXMY-SNVBAGLBSA-N 1 2 336.317 3.934 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342706181 1026786538 /nfs/dbraw/zinc/78/65/38/1026786538.db2.gz RBYBKZPRZOEJSP-UHFFFAOYSA-N 1 2 333.435 3.932 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000611664345 1026801235 /nfs/dbraw/zinc/80/12/35/1026801235.db2.gz IEJPSSPAMQALEN-DZUCGIPZSA-N 1 2 341.455 3.679 20 0 EHADLO Cn1cc([C@H]([NH2+][C@H]2CCCc3cccnc32)c2ccc(F)cc2)cn1 ZINC000684962907 1026864589 /nfs/dbraw/zinc/86/45/89/1026864589.db2.gz ZGNFYMOTYHZFCV-RBUKOAKNSA-N 1 2 336.414 3.711 20 0 EHADLO Cc1cc(Br)cnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301614020 1026875099 /nfs/dbraw/zinc/87/50/99/1026875099.db2.gz HSAWIVGVIZAMKL-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1c(F)cccc1Cl ZINC000582663871 1026893234 /nfs/dbraw/zinc/89/32/34/1026893234.db2.gz KMLSMFWIXGXNSP-UHFFFAOYSA-N 1 2 336.798 3.676 20 0 EHADLO Cc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301684534 1026900198 /nfs/dbraw/zinc/90/01/98/1026900198.db2.gz WKIYHYOCEDXKKG-UHFFFAOYSA-N 1 2 344.503 3.574 20 0 EHADLO CC(C)c1nnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000301707650 1026909881 /nfs/dbraw/zinc/90/98/81/1026909881.db2.gz CDTPJRUNALEOAK-GFCCVEGCSA-N 1 2 326.416 3.655 20 0 EHADLO CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccc(C)c1 ZINC000193066496 1026917499 /nfs/dbraw/zinc/91/74/99/1026917499.db2.gz DERPGNNBZNBXAC-UHFFFAOYSA-N 1 2 325.441 3.543 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000531439461 1026923562 /nfs/dbraw/zinc/92/35/62/1026923562.db2.gz ZRKBCZVXOGERKT-UHFFFAOYSA-N 1 2 330.457 3.684 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000531439461 1026923569 /nfs/dbraw/zinc/92/35/69/1026923569.db2.gz ZRKBCZVXOGERKT-UHFFFAOYSA-N 1 2 330.457 3.684 20 0 EHADLO FC(F)c1nc2ccccc2c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000301787288 1026939027 /nfs/dbraw/zinc/93/90/27/1026939027.db2.gz WVSJNHIHNOUQBA-LBPRGKRZSA-N 1 2 341.365 3.653 20 0 EHADLO Cc1cc(CNc2cccc(Cn3cncn3)c2)c2c([nH+]1)CCCC2 ZINC000892279453 1026943300 /nfs/dbraw/zinc/94/33/00/1026943300.db2.gz BFCOSJOHGSZZIN-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(NCC5CC5)[nH+]cn4)C3)nc2c1 ZINC000301807313 1026946383 /nfs/dbraw/zinc/94/63/83/1026946383.db2.gz CDLSPPJQFAQDKS-OAHLLOKOSA-N 1 2 349.438 3.824 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(NCC5CC5)nc[nH+]4)C3)nc2c1 ZINC000301807313 1026946389 /nfs/dbraw/zinc/94/63/89/1026946389.db2.gz CDLSPPJQFAQDKS-OAHLLOKOSA-N 1 2 349.438 3.824 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301816646 1026949621 /nfs/dbraw/zinc/94/96/21/1026949621.db2.gz HJDNTFZSSPAONT-UHFFFAOYSA-N 1 2 348.454 3.713 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301816646 1026949630 /nfs/dbraw/zinc/94/96/30/1026949630.db2.gz HJDNTFZSSPAONT-UHFFFAOYSA-N 1 2 348.454 3.713 20 0 EHADLO O[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000301826322 1026954737 /nfs/dbraw/zinc/95/47/37/1026954737.db2.gz MXJOEYZLBVIVNA-SFHVURJKSA-N 1 2 334.423 3.597 20 0 EHADLO O[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000301826322 1026954742 /nfs/dbraw/zinc/95/47/42/1026954742.db2.gz MXJOEYZLBVIVNA-SFHVURJKSA-N 1 2 334.423 3.597 20 0 EHADLO CC(C)c1cc(NCc2cn(-c3ccccc3)nn2)nc(C(C)C)[nH+]1 ZINC000301870042 1026972629 /nfs/dbraw/zinc/97/26/29/1026972629.db2.gz OYIYXTPHZNQDCI-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452751337 1026974143 /nfs/dbraw/zinc/97/41/43/1026974143.db2.gz GRVFPTVNPLXWJJ-UHFFFAOYSA-N 1 2 327.428 3.750 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000301895908 1026983061 /nfs/dbraw/zinc/98/30/61/1026983061.db2.gz UFALNIWZIYOZLV-CYBMUJFWSA-N 1 2 342.393 3.724 20 0 EHADLO CCOc1ccc(C2=CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000301934573 1027000227 /nfs/dbraw/zinc/00/02/27/1027000227.db2.gz QVLAMBGAYSSRAF-UHFFFAOYSA-N 1 2 346.434 3.904 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000548754342 1027002461 /nfs/dbraw/zinc/00/24/61/1027002461.db2.gz XVZDJQAXGUXRBH-NFAWXSAZSA-N 1 2 343.452 3.502 20 0 EHADLO CCc1nc(N(CCc2ccccc2)Cc2ccncc2)cc(C)[nH+]1 ZINC000342773227 1027005109 /nfs/dbraw/zinc/00/51/09/1027005109.db2.gz AGYXDSNKSXZUID-UHFFFAOYSA-N 1 2 332.451 3.992 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2ccc(Br)cc2)n1C ZINC000342779400 1027021048 /nfs/dbraw/zinc/02/10/48/1027021048.db2.gz LKBFPLUJQFVHKS-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccc(Cl)c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc12 ZINC000302009878 1027022404 /nfs/dbraw/zinc/02/24/04/1027022404.db2.gz XZOKZNBBRDCQHW-UHFFFAOYSA-N 1 2 338.842 3.918 20 0 EHADLO Cc1nc(NCc2ccc(-n3ccnc3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302071822 1027043643 /nfs/dbraw/zinc/04/36/43/1027043643.db2.gz YWTVXZMNIYWSMK-UHFFFAOYSA-N 1 2 337.402 3.601 20 0 EHADLO Cc1nc(N[C@@H](C)c2noc(Cc3ccccc3)n2)c2c([nH+]1)CCCC2 ZINC000302091620 1027050760 /nfs/dbraw/zinc/05/07/60/1027050760.db2.gz MLIWRIAYARXALS-ZDUSSCGKSA-N 1 2 349.438 3.811 20 0 EHADLO CCN(CC)c1ccc(NCc2ncc(Br)s2)c[nH+]1 ZINC000714068552 1027056346 /nfs/dbraw/zinc/05/63/46/1027056346.db2.gz UEBAPRNWNKYMIJ-UHFFFAOYSA-N 1 2 341.278 3.759 20 0 EHADLO Cc1nc(NC[C@H](c2ccccc2)C(C)(C)CO)c2c([nH+]1)CCCC2 ZINC000302121511 1027060160 /nfs/dbraw/zinc/06/01/60/1027060160.db2.gz YCBDHPFYWKMIOG-GOSISDBHSA-N 1 2 339.483 3.878 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000302181748 1027081688 /nfs/dbraw/zinc/08/16/88/1027081688.db2.gz QYGQQJJRFPHCSJ-KBXCAEBGSA-N 1 2 340.423 3.781 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000302190085 1027083496 /nfs/dbraw/zinc/08/34/96/1027083496.db2.gz VJWZYAKSQKLEEF-KBPBESRZSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000302190085 1027083506 /nfs/dbraw/zinc/08/35/06/1027083506.db2.gz VJWZYAKSQKLEEF-KBPBESRZSA-N 1 2 346.862 3.654 20 0 EHADLO CC[C@](C)(OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000280760728 1027090895 /nfs/dbraw/zinc/09/08/95/1027090895.db2.gz ODUPQAUQDSBGMN-IBGZPJMESA-N 1 2 327.428 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000272734730 1027091568 /nfs/dbraw/zinc/09/15/68/1027091568.db2.gz LXVGLLICWINXLG-FUHWJXTLSA-N 1 2 348.487 3.507 20 0 EHADLO Cc1nc(NCc2nnc(-c3ccccc3)s2)c2c([nH+]1)CCCC2 ZINC000272817650 1027129236 /nfs/dbraw/zinc/12/92/36/1027129236.db2.gz DQQZMGSWOJGXOD-UHFFFAOYSA-N 1 2 337.452 3.794 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000501218601 1027133628 /nfs/dbraw/zinc/13/36/28/1027133628.db2.gz QISFIDWRBWEEAW-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000531642734 1027135837 /nfs/dbraw/zinc/13/58/37/1027135837.db2.gz BRXPUYWQFWEMBO-MRXNPFEDSA-N 1 2 344.455 3.768 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000531642734 1027135845 /nfs/dbraw/zinc/13/58/45/1027135845.db2.gz BRXPUYWQFWEMBO-MRXNPFEDSA-N 1 2 344.455 3.768 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000075476823 1027138413 /nfs/dbraw/zinc/13/84/13/1027138413.db2.gz KKBKOTNPEXXFRR-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO COc1ccc(CCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531828 1027142176 /nfs/dbraw/zinc/14/21/76/1027142176.db2.gz WXGRXHCFAFYXNV-QGZVFWFLSA-N 1 2 341.455 3.537 20 0 EHADLO CC(=O)N1CC[C@H]([N@@H+](Cc2cc(Cl)sc2Cl)C(C)C)C1 ZINC001140589845 1027143416 /nfs/dbraw/zinc/14/34/16/1027143416.db2.gz UNMAYARSGZZOGM-LBPRGKRZSA-N 1 2 335.300 3.886 20 0 EHADLO CC(=O)N1CC[C@H]([N@H+](Cc2cc(Cl)sc2Cl)C(C)C)C1 ZINC001140589845 1027143430 /nfs/dbraw/zinc/14/34/30/1027143430.db2.gz UNMAYARSGZZOGM-LBPRGKRZSA-N 1 2 335.300 3.886 20 0 EHADLO CCOCc1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000075547408 1027168805 /nfs/dbraw/zinc/16/88/05/1027168805.db2.gz HLMORMQVWNKOFO-UHFFFAOYSA-N 1 2 335.407 3.970 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000075552377 1027168996 /nfs/dbraw/zinc/16/89/96/1027168996.db2.gz CJLYYLYBSXGLAA-CYBMUJFWSA-N 1 2 329.831 3.501 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552926 1027169197 /nfs/dbraw/zinc/16/91/97/1027169197.db2.gz SEYVPOBVTZVAEK-AEGPPILISA-N 1 2 329.831 3.573 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554844 1027170877 /nfs/dbraw/zinc/17/08/77/1027170877.db2.gz ZVBTXOKSTHRFQS-AWEZNQCLSA-N 1 2 348.450 3.790 20 0 EHADLO Cc1nc([C@H](C)[N@@H+]2CCC3(C2)OCCO3)oc1-c1ccc(Cl)cc1 ZINC000126180238 1027170948 /nfs/dbraw/zinc/17/09/48/1027170948.db2.gz GEAYQSQBCZAJPU-ZDUSSCGKSA-N 1 2 348.830 3.813 20 0 EHADLO Cc1nc([C@H](C)[N@H+]2CCC3(C2)OCCO3)oc1-c1ccc(Cl)cc1 ZINC000126180238 1027170953 /nfs/dbraw/zinc/17/09/53/1027170953.db2.gz GEAYQSQBCZAJPU-ZDUSSCGKSA-N 1 2 348.830 3.813 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556477 1027171910 /nfs/dbraw/zinc/17/19/10/1027171910.db2.gz CCVBCRKSRYLNOU-CYBMUJFWSA-N 1 2 349.887 3.952 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556524 1027172008 /nfs/dbraw/zinc/17/20/08/1027172008.db2.gz BKAPWLNELDKOEU-ZIAGYGMSSA-N 1 2 347.846 3.545 20 0 EHADLO COc1cc2c(cc1F)ncnc2NCc1ccccc1-n1cc[nH+]c1 ZINC000302519873 1027177733 /nfs/dbraw/zinc/17/77/33/1027177733.db2.gz YRGDMLWSDPJSSI-UHFFFAOYSA-N 1 2 349.369 3.575 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)oc1C ZINC000075863305 1027199971 /nfs/dbraw/zinc/19/99/71/1027199971.db2.gz KSWWYVNTHULSMJ-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO O=C(Nc1ccsc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126500872 1027210462 /nfs/dbraw/zinc/21/04/62/1027210462.db2.gz GUCWHUHZMIBZMR-DLBZAZTESA-N 1 2 338.436 3.995 20 0 EHADLO Clc1cccc2c1CC[N@H+](CCNc1nc(C3CC3)ns1)C2 ZINC000302641158 1027221321 /nfs/dbraw/zinc/22/13/21/1027221321.db2.gz IENZDLSORDGKJP-UHFFFAOYSA-N 1 2 334.876 3.539 20 0 EHADLO Clc1cccc2c1CC[N@@H+](CCNc1nc(C3CC3)ns1)C2 ZINC000302641158 1027221337 /nfs/dbraw/zinc/22/13/37/1027221337.db2.gz IENZDLSORDGKJP-UHFFFAOYSA-N 1 2 334.876 3.539 20 0 EHADLO O=C(NCCC1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058796200 1027222481 /nfs/dbraw/zinc/22/24/81/1027222481.db2.gz NTZVHRZQMPHMKH-LJQANCHMSA-N 1 2 346.540 3.863 20 0 EHADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1F ZINC000126736676 1027235332 /nfs/dbraw/zinc/23/53/32/1027235332.db2.gz DLRQWWHTDPESHF-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1F ZINC000126736676 1027235350 /nfs/dbraw/zinc/23/53/50/1027235350.db2.gz DLRQWWHTDPESHF-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO CC[N@H+](Cc1ccc(S(C)(=O)=O)s1)[C@@H](C)Cc1ccsc1 ZINC000414432914 1027236186 /nfs/dbraw/zinc/23/61/86/1027236186.db2.gz NJXGQMWWWFBPBB-LBPRGKRZSA-N 1 2 343.539 3.666 20 0 EHADLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)[C@@H](C)Cc1ccsc1 ZINC000414432914 1027236190 /nfs/dbraw/zinc/23/61/90/1027236190.db2.gz NJXGQMWWWFBPBB-LBPRGKRZSA-N 1 2 343.539 3.666 20 0 EHADLO CC[C@@H](C)[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000453034732 1027275122 /nfs/dbraw/zinc/27/51/22/1027275122.db2.gz YBJWYJFFDGVLPX-HUUCEWRRSA-N 1 2 329.444 3.718 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1csc(-c2ccco2)n1 ZINC000076415647 1027279849 /nfs/dbraw/zinc/27/98/49/1027279849.db2.gz UOQYUBGSLIKZKW-UHFFFAOYSA-N 1 2 336.457 3.957 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1csc(-c2ccco2)n1 ZINC000076415647 1027279864 /nfs/dbraw/zinc/27/98/64/1027279864.db2.gz UOQYUBGSLIKZKW-UHFFFAOYSA-N 1 2 336.457 3.957 20 0 EHADLO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000127194507 1027280696 /nfs/dbraw/zinc/28/06/96/1027280696.db2.gz AGJILNPRHGTSOE-MRXNPFEDSA-N 1 2 348.397 3.612 20 0 EHADLO Cc1cn2c(n1)CN(c1[nH+]ccc3cc(Br)ccc31)CC2 ZINC000665710994 1027281111 /nfs/dbraw/zinc/28/11/11/1027281111.db2.gz PQDQNOSYRXXIEW-UHFFFAOYSA-N 1 2 343.228 3.522 20 0 EHADLO CCc1ncc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cn1 ZINC000414436862 1027290592 /nfs/dbraw/zinc/29/05/92/1027290592.db2.gz SMPUGHMZXMSQBD-ULQDDVLXSA-N 1 2 345.487 3.514 20 0 EHADLO CCc1ncc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cn1 ZINC000414436862 1027290612 /nfs/dbraw/zinc/29/06/12/1027290612.db2.gz SMPUGHMZXMSQBD-ULQDDVLXSA-N 1 2 345.487 3.514 20 0 EHADLO COc1cccc(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1C ZINC001211926428 1027318343 /nfs/dbraw/zinc/31/83/43/1027318343.db2.gz AOMGVSBRKBYFMJ-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO COC[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302853724 1027326181 /nfs/dbraw/zinc/32/61/81/1027326181.db2.gz JZQNQVLHMRKVJM-HNNXBMFYSA-N 1 2 332.835 3.752 20 0 EHADLO COC[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302853724 1027326203 /nfs/dbraw/zinc/32/62/03/1027326203.db2.gz JZQNQVLHMRKVJM-HNNXBMFYSA-N 1 2 332.835 3.752 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302852129 1027326503 /nfs/dbraw/zinc/32/65/03/1027326503.db2.gz JFPHRJAOAINRJP-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302852129 1027326522 /nfs/dbraw/zinc/32/65/22/1027326522.db2.gz JFPHRJAOAINRJP-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ncc(-c2ccccc2)n1C ZINC000453077265 1027327106 /nfs/dbraw/zinc/32/71/06/1027327106.db2.gz XXLZYFYQYRELSK-CQSZACIVSA-N 1 2 335.407 3.667 20 0 EHADLO Cc1cccc([C@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302888257 1027347007 /nfs/dbraw/zinc/34/70/07/1027347007.db2.gz MRLGXQMNFHYAQU-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1cccc([C@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302888257 1027347022 /nfs/dbraw/zinc/34/70/22/1027347022.db2.gz MRLGXQMNFHYAQU-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cs1 ZINC000076731212 1027349349 /nfs/dbraw/zinc/34/93/49/1027349349.db2.gz WBKPLHVKEQDYFS-PBHICJAKSA-N 1 2 332.469 3.894 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cs1 ZINC000076731212 1027349365 /nfs/dbraw/zinc/34/93/65/1027349365.db2.gz WBKPLHVKEQDYFS-PBHICJAKSA-N 1 2 332.469 3.894 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c2ncnn21 ZINC000657568425 1027349629 /nfs/dbraw/zinc/34/96/29/1027349629.db2.gz GGXVYDBGGCITOX-YGRLFVJLSA-N 1 2 345.859 3.851 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302904960 1027354677 /nfs/dbraw/zinc/35/46/77/1027354677.db2.gz SGVDWORHDWVNRV-HNNXBMFYSA-N 1 2 326.444 3.519 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302904960 1027354695 /nfs/dbraw/zinc/35/46/95/1027354695.db2.gz SGVDWORHDWVNRV-HNNXBMFYSA-N 1 2 326.444 3.519 20 0 EHADLO CC[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000665723904 1027378434 /nfs/dbraw/zinc/37/84/34/1027378434.db2.gz KVBCCWVYHHJMCU-SFHVURJKSA-N 1 2 336.439 3.636 20 0 EHADLO Brc1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000077308226 1027391124 /nfs/dbraw/zinc/39/11/24/1027391124.db2.gz PQPQSCDFVPNZQW-CYBMUJFWSA-N 1 2 332.245 3.783 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1cnn(C)c1 ZINC000273369927 1027398310 /nfs/dbraw/zinc/39/83/10/1027398310.db2.gz KTXBYMCIQOQKJP-QWRGUYRKSA-N 1 2 331.807 3.535 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)o1 ZINC000171234892 1027399155 /nfs/dbraw/zinc/39/91/55/1027399155.db2.gz OMTKSQZKIOGEHN-APWZRJJASA-N 1 2 326.440 3.992 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122597 1027401165 /nfs/dbraw/zinc/40/11/65/1027401165.db2.gz QJFVCUUPQFWIRQ-VOFPXKNKSA-N 1 2 341.543 3.502 20 0 EHADLO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@@H]1CCCCO1 ZINC000128340642 1027421525 /nfs/dbraw/zinc/42/15/25/1027421525.db2.gz TXLYSAPIBFYOKG-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO CCC[N@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@@H]1CCCCO1 ZINC000128340642 1027421538 /nfs/dbraw/zinc/42/15/38/1027421538.db2.gz TXLYSAPIBFYOKG-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO O=C(Nc1cccc(O)c1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000128365603 1027425018 /nfs/dbraw/zinc/42/50/18/1027425018.db2.gz ADZCSQGSYBVDAF-MRXNPFEDSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1cccc(O)c1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000128365603 1027425026 /nfs/dbraw/zinc/42/50/26/1027425026.db2.gz ADZCSQGSYBVDAF-MRXNPFEDSA-N 1 2 328.387 3.525 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cn(C)nc2C2CCCC2)cn1 ZINC000894249448 1027434179 /nfs/dbraw/zinc/43/41/79/1027434179.db2.gz WJIFRMWNEQVKAW-UHFFFAOYSA-N 1 2 327.476 3.623 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cn(C)nc2C2CCCC2)cn1 ZINC000894249448 1027434195 /nfs/dbraw/zinc/43/41/95/1027434195.db2.gz WJIFRMWNEQVKAW-UHFFFAOYSA-N 1 2 327.476 3.623 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NCC1CCCCCC1 ZINC000454228044 1027451937 /nfs/dbraw/zinc/45/19/37/1027451937.db2.gz UZTOVKOSUIVEMD-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Oc2ccccc2)cn1 ZINC000453158333 1027471589 /nfs/dbraw/zinc/47/15/89/1027471589.db2.gz AKEJTJACFBEIBO-OAHLLOKOSA-N 1 2 349.438 3.581 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Cl)cc2Br)c(C)c[nH+]1 ZINC000536574342 1027485048 /nfs/dbraw/zinc/48/50/48/1027485048.db2.gz OSXJNPSRDFIQII-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000414452155 1027485646 /nfs/dbraw/zinc/48/56/46/1027485646.db2.gz LSOSJXOROMFPHM-OAHLLOKOSA-N 1 2 335.494 3.531 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000414452155 1027485651 /nfs/dbraw/zinc/48/56/51/1027485651.db2.gz LSOSJXOROMFPHM-OAHLLOKOSA-N 1 2 335.494 3.531 20 0 EHADLO COc1sc(C[NH2+][C@H](C)c2cscn2)cc1Br ZINC000657600006 1027578139 /nfs/dbraw/zinc/57/81/39/1027578139.db2.gz IBMVEPQOMXYCKP-SSDOTTSWSA-N 1 2 333.276 3.827 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CCN(Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342837949 1027567182 /nfs/dbraw/zinc/56/71/82/1027567182.db2.gz NIZMBWJVAPWFND-GOSISDBHSA-N 1 2 331.341 3.683 20 0 EHADLO CCCCCOCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273705666 1027570128 /nfs/dbraw/zinc/57/01/28/1027570128.db2.gz HCHSGPSOXSCCSV-UHFFFAOYSA-N 1 2 326.400 3.688 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)cs1 ZINC000414458984 1027586441 /nfs/dbraw/zinc/58/64/41/1027586441.db2.gz VFMZVRLIXCKFCR-UHFFFAOYSA-N 1 2 330.375 3.907 20 0 EHADLO COc1cccc(Nc2ccc(NCc3ncnn3C(C)C)[nH+]c2)c1 ZINC000631176518 1027595443 /nfs/dbraw/zinc/59/54/43/1027595443.db2.gz UCUJYZOQOAXKBN-UHFFFAOYSA-N 1 2 338.415 3.618 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881603 1027595942 /nfs/dbraw/zinc/59/59/42/1027595942.db2.gz VLYLXCUMIRKTNA-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881603 1027595950 /nfs/dbraw/zinc/59/59/50/1027595950.db2.gz VLYLXCUMIRKTNA-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130230267 1027651257 /nfs/dbraw/zinc/65/12/57/1027651257.db2.gz PCHQGYBPLWYWOT-VIFPVBQESA-N 1 2 343.736 3.756 20 0 EHADLO CCCC[N@H+](Cc1c(Cl)cccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000475569275 1027652350 /nfs/dbraw/zinc/65/23/50/1027652350.db2.gz WOOBSXRTKNORGO-HNNXBMFYSA-N 1 2 343.920 3.692 20 0 EHADLO CCCC[N@@H+](Cc1c(Cl)cccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000475569275 1027652363 /nfs/dbraw/zinc/65/23/63/1027652363.db2.gz WOOBSXRTKNORGO-HNNXBMFYSA-N 1 2 343.920 3.692 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000105895681 1027654551 /nfs/dbraw/zinc/65/45/51/1027654551.db2.gz BNNLBQYHXAMVNX-UONOGXRCSA-N 1 2 331.464 3.616 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000105895681 1027654568 /nfs/dbraw/zinc/65/45/68/1027654568.db2.gz BNNLBQYHXAMVNX-UONOGXRCSA-N 1 2 331.464 3.616 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000434190012 1027670537 /nfs/dbraw/zinc/67/05/37/1027670537.db2.gz GJJJSNOANCPCML-QGZVFWFLSA-N 1 2 346.519 3.933 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCSc3ccccc32)cc(C)[nH+]1 ZINC000420759911 1027714331 /nfs/dbraw/zinc/71/43/31/1027714331.db2.gz JHRGEFGTFFCGLZ-INIZCTEOSA-N 1 2 327.453 3.735 20 0 EHADLO C[C@@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455109812 1027721284 /nfs/dbraw/zinc/72/12/84/1027721284.db2.gz OMUAUTQOIZYLMF-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO Cc1ccc(OC(F)F)c(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420817274 1027775042 /nfs/dbraw/zinc/77/50/42/1027775042.db2.gz SLQHAGXTOXUNOQ-UHFFFAOYSA-N 1 2 349.381 3.608 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000342871251 1027775747 /nfs/dbraw/zinc/77/57/47/1027775747.db2.gz DJFWHHBQTDXUIM-IFXJQAMLSA-N 1 2 337.398 3.899 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000414475204 1027786259 /nfs/dbraw/zinc/78/62/59/1027786259.db2.gz UNHNBTIFLRDYSR-FQEVSTJZSA-N 1 2 326.415 3.889 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000414475204 1027786276 /nfs/dbraw/zinc/78/62/76/1027786276.db2.gz UNHNBTIFLRDYSR-FQEVSTJZSA-N 1 2 326.415 3.889 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H]2Cc2ccccc2C)cc(C)[nH+]1 ZINC000420848261 1027787886 /nfs/dbraw/zinc/78/78/86/1027787886.db2.gz LROHBIPNJDQUDZ-FQEVSTJZSA-N 1 2 337.467 3.924 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1OC(C)C ZINC000455155342 1027790811 /nfs/dbraw/zinc/79/08/11/1027790811.db2.gz ZVPOMFOJMCMECV-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO Cc1cccc([C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C)c1 ZINC000153389600 1027791779 /nfs/dbraw/zinc/79/17/79/1027791779.db2.gz UKJYCRDARGQKCM-FUHWJXTLSA-N 1 2 325.456 3.658 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CC2(C1)CCCCC2 ZINC000665843982 1027792751 /nfs/dbraw/zinc/79/27/51/1027792751.db2.gz DDLDPYQWBKDQRW-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)CCO2)cc1Cl ZINC000628162375 1027794755 /nfs/dbraw/zinc/79/47/55/1027794755.db2.gz NQSDQYMDOYYKDT-SFHVURJKSA-N 1 2 345.805 3.929 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CCO2)cc1Cl ZINC000628162375 1027794770 /nfs/dbraw/zinc/79/47/70/1027794770.db2.gz NQSDQYMDOYYKDT-SFHVURJKSA-N 1 2 345.805 3.929 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c[nH+]1 ZINC000455186572 1027826354 /nfs/dbraw/zinc/82/63/54/1027826354.db2.gz YMXXAIWZGXHYSC-AWEZNQCLSA-N 1 2 329.366 3.619 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C2CCCC2)C(F)(F)F)c[nH+]1 ZINC000455186574 1027826414 /nfs/dbraw/zinc/82/64/14/1027826414.db2.gz YMXXAIWZGXHYSC-CQSZACIVSA-N 1 2 329.366 3.619 20 0 EHADLO Cn1ncc2c1CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C2 ZINC000414476746 1027829572 /nfs/dbraw/zinc/82/95/72/1027829572.db2.gz YFWNLPKVCKNAPV-UHFFFAOYSA-N 1 2 327.325 3.526 20 0 EHADLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C2 ZINC000414476746 1027829594 /nfs/dbraw/zinc/82/95/94/1027829594.db2.gz YFWNLPKVCKNAPV-UHFFFAOYSA-N 1 2 327.325 3.526 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1C ZINC000246163758 1027854810 /nfs/dbraw/zinc/85/48/10/1027854810.db2.gz UTSQYRGERHTRCZ-GXTWGEPZSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](c3cccs3)C2)cc1C ZINC000246163758 1027854830 /nfs/dbraw/zinc/85/48/30/1027854830.db2.gz UTSQYRGERHTRCZ-GXTWGEPZSA-N 1 2 335.425 3.571 20 0 EHADLO FC(F)Oc1cc2c(cc1C[NH2+]Cc1ccc(Cl)o1)OCO2 ZINC000342881837 1027874838 /nfs/dbraw/zinc/87/48/38/1027874838.db2.gz JDKCGFVTJUBJAO-UHFFFAOYSA-N 1 2 331.702 3.553 20 0 EHADLO CN(c1nc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cs1)C1CC1 ZINC000420948690 1027912338 /nfs/dbraw/zinc/91/23/38/1027912338.db2.gz OCGTZJVXMQUVPT-LLVKDONJSA-N 1 2 333.423 3.906 20 0 EHADLO CN(c1nc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cs1)C1CC1 ZINC000420948690 1027912356 /nfs/dbraw/zinc/91/23/56/1027912356.db2.gz OCGTZJVXMQUVPT-LLVKDONJSA-N 1 2 333.423 3.906 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956273 1027922969 /nfs/dbraw/zinc/92/29/69/1027922969.db2.gz YSZJCYYWMGYELL-KSSFIOAISA-N 1 2 347.842 3.646 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956273 1027922980 /nfs/dbraw/zinc/92/29/80/1027922980.db2.gz YSZJCYYWMGYELL-KSSFIOAISA-N 1 2 347.842 3.646 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccsc1 ZINC000523138493 1027923782 /nfs/dbraw/zinc/92/37/82/1027923782.db2.gz WLBHHUYAQPDHGX-AFCDSYGPSA-N 1 2 340.492 3.709 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428366547 1027928402 /nfs/dbraw/zinc/92/84/02/1027928402.db2.gz YLVDWKGBIOAGLG-VQTJNVASSA-N 1 2 341.451 3.999 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428366547 1027928413 /nfs/dbraw/zinc/92/84/13/1027928413.db2.gz YLVDWKGBIOAGLG-VQTJNVASSA-N 1 2 341.451 3.999 20 0 EHADLO CCn1nncc1C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000459359254 1027939044 /nfs/dbraw/zinc/93/90/44/1027939044.db2.gz GCPBPNDBGLEKRV-NRFANRHFSA-N 1 2 348.450 3.606 20 0 EHADLO CCn1nncc1C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000459359254 1027939053 /nfs/dbraw/zinc/93/90/53/1027939053.db2.gz GCPBPNDBGLEKRV-NRFANRHFSA-N 1 2 348.450 3.606 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@@H](C)C3)c2C1 ZINC000444471213 1027939835 /nfs/dbraw/zinc/93/98/35/1027939835.db2.gz XSOPCPPQLSQPKS-CABCVRRESA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@@H](C)C3)c2C1 ZINC000444471213 1027939851 /nfs/dbraw/zinc/93/98/51/1027939851.db2.gz XSOPCPPQLSQPKS-CABCVRRESA-N 1 2 337.467 3.531 20 0 EHADLO Cn1c(C[NH2+][C@H](CC(F)F)c2ccccc2)nnc1-c1ccccc1 ZINC000420997446 1027975579 /nfs/dbraw/zinc/97/55/79/1027975579.db2.gz RWESJBIMKNXMKM-MRXNPFEDSA-N 1 2 342.393 3.968 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3ccccc3Cl)CCCCC2)no1 ZINC000533487719 1027980762 /nfs/dbraw/zinc/98/07/62/1027980762.db2.gz XMPNGUYSAKGZJV-UHFFFAOYSA-N 1 2 335.835 3.859 20 0 EHADLO C[N@H+](CCOCC1CCCC1)Cc1nccn1Cc1ccccc1 ZINC000459364165 1027984126 /nfs/dbraw/zinc/98/41/26/1027984126.db2.gz WCJCXYSEJZAKCI-UHFFFAOYSA-N 1 2 327.472 3.570 20 0 EHADLO C[N@@H+](CCOCC1CCCC1)Cc1nccn1Cc1ccccc1 ZINC000459364165 1027984148 /nfs/dbraw/zinc/98/41/48/1027984148.db2.gz WCJCXYSEJZAKCI-UHFFFAOYSA-N 1 2 327.472 3.570 20 0 EHADLO COC(=O)C[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C1CC1 ZINC000502266373 1028018792 /nfs/dbraw/zinc/01/87/92/1028018792.db2.gz FIPYTXZVZAPWJJ-XFXZXTDPSA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)C[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C1CC1 ZINC000502266373 1028018809 /nfs/dbraw/zinc/01/88/09/1028018809.db2.gz FIPYTXZVZAPWJJ-XFXZXTDPSA-N 1 2 327.346 3.746 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[C@H]2C)c(C)c1 ZINC000533526710 1028018955 /nfs/dbraw/zinc/01/89/55/1028018955.db2.gz XGJVBNDWCYLDOX-LZQZEXGQSA-N 1 2 340.471 3.729 20 0 EHADLO CCc1nn(C)c(OC)c1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000342908556 1028053494 /nfs/dbraw/zinc/05/34/94/1028053494.db2.gz AVRMJHCSHSQHPJ-UHFFFAOYSA-N 1 2 330.819 3.805 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC000533543146 1028054513 /nfs/dbraw/zinc/05/45/13/1028054513.db2.gz FVKKRFPDXPXAMZ-LNLFQRSKSA-N 1 2 340.471 3.824 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@@H+](CCO[C@@H]1CCCCO1)C2 ZINC000444603508 1028068552 /nfs/dbraw/zinc/06/85/52/1028068552.db2.gz UKVRDESXKCIROP-OAHLLOKOSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@H+](CCO[C@@H]1CCCCO1)C2 ZINC000444603508 1028068572 /nfs/dbraw/zinc/06/85/72/1028068572.db2.gz UKVRDESXKCIROP-OAHLLOKOSA-N 1 2 330.255 3.895 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc2ccsc21 ZINC000533561016 1028085652 /nfs/dbraw/zinc/08/56/52/1028085652.db2.gz KQSPLKKCOMTLIV-UHFFFAOYSA-N 1 2 340.452 3.798 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503709171 1028092963 /nfs/dbraw/zinc/09/29/63/1028092963.db2.gz NMNVAXJIJCCTGZ-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503709171 1028092977 /nfs/dbraw/zinc/09/29/77/1028092977.db2.gz NMNVAXJIJCCTGZ-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO COc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)ccc1OC(C)C ZINC000421100783 1028109110 /nfs/dbraw/zinc/10/91/10/1028109110.db2.gz REYNDSYWJYKRNR-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO c1nnc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1-c1ccccc1 ZINC000444647216 1028111661 /nfs/dbraw/zinc/11/16/61/1028111661.db2.gz GXCFMEJCRAISAS-FQEVSTJZSA-N 1 2 330.435 3.919 20 0 EHADLO c1nnc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1-c1ccccc1 ZINC000444647216 1028111671 /nfs/dbraw/zinc/11/16/71/1028111671.db2.gz GXCFMEJCRAISAS-FQEVSTJZSA-N 1 2 330.435 3.919 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422997301 1028114642 /nfs/dbraw/zinc/11/46/42/1028114642.db2.gz UZXSROBCARILAW-XIKOKIGWSA-N 1 2 348.393 3.629 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444656408 1028119221 /nfs/dbraw/zinc/11/92/21/1028119221.db2.gz FKFUNTIAPAVHNC-YJBOKZPZSA-N 1 2 343.858 3.853 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152493937 1028131555 /nfs/dbraw/zinc/13/15/55/1028131555.db2.gz XUGNUJYXWVJSNN-LSDHHAIUSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152493937 1028131564 /nfs/dbraw/zinc/13/15/64/1028131564.db2.gz XUGNUJYXWVJSNN-LSDHHAIUSA-N 1 2 326.843 3.777 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444663490 1028134208 /nfs/dbraw/zinc/13/42/08/1028134208.db2.gz PATLDYOOVJPLTR-DOTOQJQBSA-N 1 2 343.858 3.853 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc2ocnc21)c1ccc(Cl)cc1 ZINC001269441554 1028139548 /nfs/dbraw/zinc/13/95/48/1028139548.db2.gz MIDYWWBXEKDKDJ-MRXNPFEDSA-N 1 2 329.787 3.723 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423044232 1028149489 /nfs/dbraw/zinc/14/94/89/1028149489.db2.gz BCEDMWWEDFJROH-PIGZYNQJSA-N 1 2 334.366 3.781 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423044216 1028149831 /nfs/dbraw/zinc/14/98/31/1028149831.db2.gz BCEDMWWEDFJROH-GTNSWQLSSA-N 1 2 334.366 3.781 20 0 EHADLO CCCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000532693414 1028179569 /nfs/dbraw/zinc/17/95/69/1028179569.db2.gz ILPUELTUPHZXDV-HNNXBMFYSA-N 1 2 328.378 3.759 20 0 EHADLO CCCNC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000532693414 1028179583 /nfs/dbraw/zinc/17/95/83/1028179583.db2.gz ILPUELTUPHZXDV-HNNXBMFYSA-N 1 2 328.378 3.759 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000444734347 1028201642 /nfs/dbraw/zinc/20/16/42/1028201642.db2.gz LESFZWBKVSZCLU-CYBMUJFWSA-N 1 2 326.375 3.772 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000444734347 1028201660 /nfs/dbraw/zinc/20/16/60/1028201660.db2.gz LESFZWBKVSZCLU-CYBMUJFWSA-N 1 2 326.375 3.772 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735338 1028202172 /nfs/dbraw/zinc/20/21/72/1028202172.db2.gz ZJEXTJAFFQSJIQ-HZMBPMFUSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735338 1028202181 /nfs/dbraw/zinc/20/21/81/1028202181.db2.gz ZJEXTJAFFQSJIQ-HZMBPMFUSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1cc(C[N@H+](C)CC(=O)Nc2nc3c(s2)CCCC3)ccc1F ZINC000444736670 1028203950 /nfs/dbraw/zinc/20/39/50/1028203950.db2.gz ALZSETXQWVWWOS-UHFFFAOYSA-N 1 2 347.459 3.540 20 0 EHADLO Cc1cc(C[N@@H+](C)CC(=O)Nc2nc3c(s2)CCCC3)ccc1F ZINC000444736670 1028203966 /nfs/dbraw/zinc/20/39/66/1028203966.db2.gz ALZSETXQWVWWOS-UHFFFAOYSA-N 1 2 347.459 3.540 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444719839 1028212388 /nfs/dbraw/zinc/21/23/88/1028212388.db2.gz NKYUGQFDYNMRSP-CMPLNLGQSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444719839 1028212404 /nfs/dbraw/zinc/21/24/04/1028212404.db2.gz NKYUGQFDYNMRSP-CMPLNLGQSA-N 1 2 336.423 3.576 20 0 EHADLO Cc1cccc(O[C@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455478378 1028213250 /nfs/dbraw/zinc/21/32/50/1028213250.db2.gz FSPZALDNBNJZMS-OAHLLOKOSA-N 1 2 327.428 3.904 20 0 EHADLO [NH3+][C@@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)c1c(F)cccc1F ZINC000423139015 1028223535 /nfs/dbraw/zinc/22/35/35/1028223535.db2.gz UVPHWRHLXZDUBH-HNAYVOBHSA-N 1 2 344.405 3.761 20 0 EHADLO COCc1ccc([C@@H]2CCCN2c2nc(C)[nH+]c3c2CCCC3)o1 ZINC000161672774 1028233088 /nfs/dbraw/zinc/23/30/88/1028233088.db2.gz DHNIYERGEVGAKX-KRWDZBQOSA-N 1 2 327.428 3.745 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2(C3CCC3)CCC2)c1)[NH+]1CCOCC1 ZINC000455485145 1028253228 /nfs/dbraw/zinc/25/32/28/1028253228.db2.gz QQHWAXDZFABOCR-MRXNPFEDSA-N 1 2 342.483 3.989 20 0 EHADLO COc1ccc2cc(C[NH2+]Cc3n[nH]cc3Br)ccc2c1 ZINC000523391326 1028268648 /nfs/dbraw/zinc/26/86/48/1028268648.db2.gz LUSKQXPORAWNJK-UHFFFAOYSA-N 1 2 346.228 3.624 20 0 EHADLO COc1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)c(C(F)(F)F)c1 ZINC000421324046 1028268719 /nfs/dbraw/zinc/26/87/19/1028268719.db2.gz JGTYFUBUGQXAOC-UHFFFAOYSA-N 1 2 347.768 3.699 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502496579 1028276719 /nfs/dbraw/zinc/27/67/19/1028276719.db2.gz SKMUYRKDZMUXGO-OAHLLOKOSA-N 1 2 330.447 3.579 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502496579 1028276738 /nfs/dbraw/zinc/27/67/38/1028276738.db2.gz SKMUYRKDZMUXGO-OAHLLOKOSA-N 1 2 330.447 3.579 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)nn1C ZINC000421339495 1028310361 /nfs/dbraw/zinc/31/03/61/1028310361.db2.gz GPASLYLSUOSEFX-CYBMUJFWSA-N 1 2 332.879 3.833 20 0 EHADLO COc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1C ZINC000455534310 1028310854 /nfs/dbraw/zinc/31/08/54/1028310854.db2.gz UTMVVCVREARHLU-UHFFFAOYSA-N 1 2 329.400 3.976 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)no1 ZINC000056143820 1028312485 /nfs/dbraw/zinc/31/24/85/1028312485.db2.gz CDLXSKKUQJEQPW-NWDGAFQWSA-N 1 2 340.427 3.707 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)[C@H](C)c2cccs2)c1C ZINC000342946609 1028320184 /nfs/dbraw/zinc/32/01/84/1028320184.db2.gz MCIYDUYSCVMOAO-CYBMUJFWSA-N 1 2 348.468 3.745 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)[C@H](C)c2cccs2)c1C ZINC000342946609 1028320199 /nfs/dbraw/zinc/32/01/99/1028320199.db2.gz MCIYDUYSCVMOAO-CYBMUJFWSA-N 1 2 348.468 3.745 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000523445524 1028342135 /nfs/dbraw/zinc/34/21/35/1028342135.db2.gz MWXGWGPXOHSGMK-CKDBGZEDSA-N 1 2 332.463 3.782 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000523445524 1028342150 /nfs/dbraw/zinc/34/21/50/1028342150.db2.gz MWXGWGPXOHSGMK-CKDBGZEDSA-N 1 2 332.463 3.782 20 0 EHADLO O=C(NCc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862273 1028344105 /nfs/dbraw/zinc/34/41/05/1028344105.db2.gz KIQFRLCIFKUWGH-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000056831507 1028345290 /nfs/dbraw/zinc/34/52/90/1028345290.db2.gz MARMMLJAZOTWLP-GOSISDBHSA-N 1 2 342.487 3.546 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc(F)ccc1F ZINC000067557007 1028370194 /nfs/dbraw/zinc/37/01/94/1028370194.db2.gz HXGGFOJZAXLMDW-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO CCCCc1nc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)no1 ZINC000502597836 1028416244 /nfs/dbraw/zinc/41/62/44/1028416244.db2.gz XSMPLRNFYPVNTM-GOSISDBHSA-N 1 2 349.862 3.557 20 0 EHADLO CCCOCc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069066002 1028418966 /nfs/dbraw/zinc/41/89/66/1028418966.db2.gz OVZVZPVYMBXQQO-INIZCTEOSA-N 1 2 344.455 3.515 20 0 EHADLO CCCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069066002 1028418973 /nfs/dbraw/zinc/41/89/73/1028418973.db2.gz OVZVZPVYMBXQQO-INIZCTEOSA-N 1 2 344.455 3.515 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079081722 1028467798 /nfs/dbraw/zinc/46/77/98/1028467798.db2.gz IFUMQGVJBQNGCP-QGZVFWFLSA-N 1 2 342.487 3.945 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCOc2ccccc2Cl)c[nH+]1 ZINC000455555039 1028468757 /nfs/dbraw/zinc/46/87/57/1028468757.db2.gz ISFVPHHKLCKZJF-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO CCCN(CCc1cccs1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455555359 1028469571 /nfs/dbraw/zinc/46/95/71/1028469571.db2.gz FRMXXCPHELKBNH-UHFFFAOYSA-N 1 2 331.485 3.924 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000455562117 1028476388 /nfs/dbraw/zinc/47/63/88/1028476388.db2.gz RHHBWJUSFPSOTF-DZGCQCFKSA-N 1 2 343.393 3.866 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000342979873 1028492019 /nfs/dbraw/zinc/49/20/19/1028492019.db2.gz WBCOZCLFVCJNEP-MJGOQNOKSA-N 1 2 337.467 3.763 20 0 EHADLO c1c[nH+]c(-c2ccc(Nc3cccnc3OC3CCOCC3)cc2)[nH]1 ZINC001213086488 1028501651 /nfs/dbraw/zinc/50/16/51/1028501651.db2.gz QTKZFXJNEHNHJB-UHFFFAOYSA-N 1 2 336.395 3.773 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c[nH+]1 ZINC000455567143 1028515679 /nfs/dbraw/zinc/51/56/79/1028515679.db2.gz YRBFXOZPHZZNQL-DOTOQJQBSA-N 1 2 341.430 3.925 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2cccc3cccnc32)no1)c1ccccc1 ZINC000504236656 1028517702 /nfs/dbraw/zinc/51/77/02/1028517702.db2.gz UDIOTBHEMKAXPD-HXUWFJFHSA-N 1 2 344.418 3.860 20 0 EHADLO CC[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H](O)C(F)(F)F ZINC000428389858 1028520372 /nfs/dbraw/zinc/52/03/72/1028520372.db2.gz AIZMISQVMONTDR-AWEZNQCLSA-N 1 2 329.318 3.817 20 0 EHADLO CC[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H](O)C(F)(F)F ZINC000428389858 1028520387 /nfs/dbraw/zinc/52/03/87/1028520387.db2.gz AIZMISQVMONTDR-AWEZNQCLSA-N 1 2 329.318 3.817 20 0 EHADLO CCCn1c(C)nn(C[N@H+](CCc2ccccc2)C2CC2)c1=S ZINC000760267446 1028528112 /nfs/dbraw/zinc/52/81/12/1028528112.db2.gz JMJNIBNXZJBSLI-UHFFFAOYSA-N 1 2 330.501 3.797 20 0 EHADLO CCCn1c(C)nn(C[N@@H+](CCc2ccccc2)C2CC2)c1=S ZINC000760267446 1028528127 /nfs/dbraw/zinc/52/81/27/1028528127.db2.gz JMJNIBNXZJBSLI-UHFFFAOYSA-N 1 2 330.501 3.797 20 0 EHADLO O=C(CC1(O)CCCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000072962652 1028529884 /nfs/dbraw/zinc/52/98/84/1028529884.db2.gz VYTMGSPLGYTWHT-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO CC[C@@H](C)Oc1cc(CN2CCc3c([nH+]cn3CC)C2)ccc1OC ZINC000897336271 1028549969 /nfs/dbraw/zinc/54/99/69/1028549969.db2.gz BDKCWLIFRPOLQV-OAHLLOKOSA-N 1 2 343.471 3.647 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)NCCNc3cccc[nH+]3)c2c1 ZINC000434223871 1028562098 /nfs/dbraw/zinc/56/20/98/1028562098.db2.gz ZJQXATRRLZVVIW-UHFFFAOYSA-N 1 2 346.434 3.658 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000455571433 1028567461 /nfs/dbraw/zinc/56/74/61/1028567461.db2.gz NEHMRHDUXCLWQB-LJQANCHMSA-N 1 2 337.467 3.960 20 0 EHADLO COc1cccc(C2(C(=O)NCc3cc(C)[nH+]c(C)c3)CCCC2)c1 ZINC000421574828 1028568045 /nfs/dbraw/zinc/56/80/45/1028568045.db2.gz HSESZIFGKLPZTB-UHFFFAOYSA-N 1 2 338.451 3.835 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc(C)[nH+]1 ZINC000421578412 1028572078 /nfs/dbraw/zinc/57/20/78/1028572078.db2.gz RAAZMOVTGJWUAU-UONOGXRCSA-N 1 2 334.341 3.536 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1CCc1ccccc1)Cn1cc[nH+]c1 ZINC000153677159 1028573300 /nfs/dbraw/zinc/57/33/00/1028573300.db2.gz IDGSCXJERBOJIJ-GOSISDBHSA-N 1 2 347.462 3.734 20 0 EHADLO Cc1ccc([C@H](NC(=O)NCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000504331747 1028575585 /nfs/dbraw/zinc/57/55/85/1028575585.db2.gz JDVUBCMTUASVGC-IBGZPJMESA-N 1 2 338.455 3.643 20 0 EHADLO O[C@@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000195069681 1028576464 /nfs/dbraw/zinc/57/64/64/1028576464.db2.gz XNMQJQZVIIRMNA-DLBZAZTESA-N 1 2 346.402 3.834 20 0 EHADLO CCOCCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000355233268 1028628933 /nfs/dbraw/zinc/62/89/33/1028628933.db2.gz FOCVBZBEQPKKGY-CQSZACIVSA-N 1 2 349.805 3.569 20 0 EHADLO CCOCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000355233268 1028628940 /nfs/dbraw/zinc/62/89/40/1028628940.db2.gz FOCVBZBEQPKKGY-CQSZACIVSA-N 1 2 349.805 3.569 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1cnn(C)c1 ZINC000195518549 1028639297 /nfs/dbraw/zinc/63/92/97/1028639297.db2.gz GXIRXPCYDDUNKK-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1cnn(C)c1 ZINC000195518549 1028639302 /nfs/dbraw/zinc/63/93/02/1028639302.db2.gz GXIRXPCYDDUNKK-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn3ccccc3n2)c(Br)c1 ZINC000237787185 1028663895 /nfs/dbraw/zinc/66/38/95/1028663895.db2.gz OVWPHJZFMDFDEC-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000504471451 1028665212 /nfs/dbraw/zinc/66/52/12/1028665212.db2.gz QMPHDWIZYZSGIA-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc([C@H](C)OCC)no2)cc1 ZINC000246810445 1028694171 /nfs/dbraw/zinc/69/41/71/1028694171.db2.gz RQUUDXKPXCFOSV-YOEHRIQHSA-N 1 2 345.443 3.903 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc([C@H](C)OCC)no2)cc1 ZINC000246810445 1028694176 /nfs/dbraw/zinc/69/41/76/1028694176.db2.gz RQUUDXKPXCFOSV-YOEHRIQHSA-N 1 2 345.443 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2ccc(F)cc2)c1C ZINC000171293501 1028700094 /nfs/dbraw/zinc/70/00/94/1028700094.db2.gz GRWVWRRWJAAFCI-UHFFFAOYSA-N 1 2 344.430 3.782 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000504523338 1028709365 /nfs/dbraw/zinc/70/93/65/1028709365.db2.gz AOCVJRYGQLZVMW-DGCLKSJQSA-N 1 2 333.794 3.585 20 0 EHADLO C[C@@H]1CC[C@H](N(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000429741482 1028722051 /nfs/dbraw/zinc/72/20/51/1028722051.db2.gz FIHXHOKIYQOWOA-CVEARBPZSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c[nH+]1 ZINC000455577644 1028723842 /nfs/dbraw/zinc/72/38/42/1028723842.db2.gz URHJKRWVINIYNN-FQEVSTJZSA-N 1 2 341.430 3.711 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCCC[C@H]2CC)s1 ZINC000247086483 1028743370 /nfs/dbraw/zinc/74/33/70/1028743370.db2.gz XHDVXUDEOXFSNJ-LSDHHAIUSA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCCC[C@H]2CC)s1 ZINC000247086483 1028743382 /nfs/dbraw/zinc/74/33/82/1028743382.db2.gz XHDVXUDEOXFSNJ-LSDHHAIUSA-N 1 2 337.533 3.798 20 0 EHADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000454339230 1028768387 /nfs/dbraw/zinc/76/83/87/1028768387.db2.gz ORTWJQTYBWJWIX-ULQDDVLXSA-N 1 2 344.503 3.564 20 0 EHADLO COc1ccccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532739600 1028778238 /nfs/dbraw/zinc/77/82/38/1028778238.db2.gz JQSKKQIONVONDE-LJQANCHMSA-N 1 2 349.434 3.680 20 0 EHADLO CCn1c(C[NH+]2CCC(OC(C)(C)C)CC2)nc2c1cccc2F ZINC000162426371 1028780069 /nfs/dbraw/zinc/78/00/69/1028780069.db2.gz GERZRPOJIDKCKN-UHFFFAOYSA-N 1 2 333.451 3.975 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2cccc(OCC(C)C)c2)c[nH+]1 ZINC000454367988 1028795353 /nfs/dbraw/zinc/79/53/53/1028795353.db2.gz BHSCRSAURDXIPX-UHFFFAOYSA-N 1 2 341.455 3.733 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C4CC4)CC3)n2)C1 ZINC000532784925 1028837197 /nfs/dbraw/zinc/83/71/97/1028837197.db2.gz AMUORAIJJFJNSM-ZDUSSCGKSA-N 1 2 348.516 3.687 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C4CC4)CC3)n2)C1 ZINC000532784925 1028837207 /nfs/dbraw/zinc/83/72/07/1028837207.db2.gz AMUORAIJJFJNSM-ZDUSSCGKSA-N 1 2 348.516 3.687 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccncc1Cl ZINC000421852404 1028843540 /nfs/dbraw/zinc/84/35/40/1028843540.db2.gz ICZSYYWOJAEJAJ-XPTSAGLGSA-N 1 2 329.202 3.912 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccncc1Cl ZINC000421852405 1028844004 /nfs/dbraw/zinc/84/40/04/1028844004.db2.gz ICZSYYWOJAEJAJ-YMTOWFKASA-N 1 2 329.202 3.912 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000248088497 1028846366 /nfs/dbraw/zinc/84/63/66/1028846366.db2.gz FAARTYSADFWJTK-MRXNPFEDSA-N 1 2 332.469 3.617 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000248088497 1028846376 /nfs/dbraw/zinc/84/63/76/1028846376.db2.gz FAARTYSADFWJTK-MRXNPFEDSA-N 1 2 332.469 3.617 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1F ZINC000445487252 1028850004 /nfs/dbraw/zinc/85/00/04/1028850004.db2.gz RYWSKDWPYXHMNP-HSZRJFAPSA-N 1 2 332.375 3.517 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)n1 ZINC000248176006 1028856692 /nfs/dbraw/zinc/85/66/92/1028856692.db2.gz VOICYSJNCMNSIO-WQGACYEGSA-N 1 2 327.494 3.519 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)n1 ZINC000248176006 1028856708 /nfs/dbraw/zinc/85/67/08/1028856708.db2.gz VOICYSJNCMNSIO-WQGACYEGSA-N 1 2 327.494 3.519 20 0 EHADLO C[C@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)C1(CO)CC1 ZINC000664272750 1028858497 /nfs/dbraw/zinc/85/84/97/1028858497.db2.gz QMVPFFRJEUAFNI-VIFPVBQESA-N 1 2 339.208 3.709 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000445494789 1028872664 /nfs/dbraw/zinc/87/26/64/1028872664.db2.gz TXQDGEIDLQKALX-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc(O)cc4C)no3)[nH]c21 ZINC000445531539 1028876808 /nfs/dbraw/zinc/87/68/08/1028876808.db2.gz IHYOLKYRZKUVKL-UHFFFAOYSA-N 1 2 334.379 3.721 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C)c3ncccc3c2)s1 ZINC000424194566 1028880533 /nfs/dbraw/zinc/88/05/33/1028880533.db2.gz BJJTXLXLSWDYFD-GFCCVEGCSA-N 1 2 341.436 3.637 20 0 EHADLO C[C@H](c1ccccc1)S(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445540698 1028901744 /nfs/dbraw/zinc/90/17/44/1028901744.db2.gz HCASTNANBNLBMC-MRXNPFEDSA-N 1 2 340.448 3.607 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)Cc1cccc(F)c1 ZINC000445542618 1028905003 /nfs/dbraw/zinc/90/50/03/1028905003.db2.gz VHUDCJIFGGQJTQ-QHCPKHFHSA-N 1 2 328.412 3.519 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC ZINC000048198607 1028927651 /nfs/dbraw/zinc/92/76/51/1028927651.db2.gz CUVWLFLCIAJTCD-GOSISDBHSA-N 1 2 335.407 3.762 20 0 EHADLO Cc1cc(C(=O)CCC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)s1 ZINC000421920768 1028937645 /nfs/dbraw/zinc/93/76/45/1028937645.db2.gz OKOREQGWIMNONW-UHFFFAOYSA-N 1 2 330.453 3.656 20 0 EHADLO Cc1ccc(SC2(CNC(=O)CCn3cc[nH+]c3)CCCC2)cc1 ZINC000079637517 1028965467 /nfs/dbraw/zinc/96/54/67/1028965467.db2.gz XKHSNEMPBFDCGQ-UHFFFAOYSA-N 1 2 343.496 3.803 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000076341936 1028965831 /nfs/dbraw/zinc/96/58/31/1028965831.db2.gz MZRSZJXNFKPCME-QGZVFWFLSA-N 1 2 332.444 3.647 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000076341936 1028965849 /nfs/dbraw/zinc/96/58/49/1028965849.db2.gz MZRSZJXNFKPCME-QGZVFWFLSA-N 1 2 332.444 3.647 20 0 EHADLO Cc1ncc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000123714990 1029005118 /nfs/dbraw/zinc/00/51/18/1029005118.db2.gz JBEYUUFQKBKUFZ-SNVBAGLBSA-N 1 2 347.875 3.845 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000076717901 1029036404 /nfs/dbraw/zinc/03/64/04/1029036404.db2.gz FVPQGTPUWUZFMX-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000076717901 1029036417 /nfs/dbraw/zinc/03/64/17/1029036417.db2.gz FVPQGTPUWUZFMX-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO Cc1oc2nc(C[N@H+](C)Cc3cccc(Cl)c3)nc(N)c2c1C ZINC000154199443 1029041192 /nfs/dbraw/zinc/04/11/92/1029041192.db2.gz GKZFGKYDEMHHSM-UHFFFAOYSA-N 1 2 330.819 3.707 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)Cc3cccc(Cl)c3)nc(N)c2c1C ZINC000154199443 1029041203 /nfs/dbraw/zinc/04/12/03/1029041203.db2.gz GKZFGKYDEMHHSM-UHFFFAOYSA-N 1 2 330.819 3.707 20 0 EHADLO CC(C)[N@H+](Cc1ccno1)Cc1cc(Br)ccc1F ZINC000532929232 1029055866 /nfs/dbraw/zinc/05/58/66/1029055866.db2.gz HUBRFXLXIHEPFQ-UHFFFAOYSA-N 1 2 327.197 3.987 20 0 EHADLO CC(C)[N@@H+](Cc1ccno1)Cc1cc(Br)ccc1F ZINC000532929232 1029055882 /nfs/dbraw/zinc/05/58/82/1029055882.db2.gz HUBRFXLXIHEPFQ-UHFFFAOYSA-N 1 2 327.197 3.987 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000445705674 1029067531 /nfs/dbraw/zinc/06/75/31/1029067531.db2.gz VXYVRXZGJQTECA-UHFFFAOYSA-N 1 2 344.434 3.733 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000532981573 1029137421 /nfs/dbraw/zinc/13/74/21/1029137421.db2.gz IKWONSJUEIRJDF-JKSUJKDBSA-N 1 2 342.487 3.876 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000532981573 1029137429 /nfs/dbraw/zinc/13/74/29/1029137429.db2.gz IKWONSJUEIRJDF-JKSUJKDBSA-N 1 2 342.487 3.876 20 0 EHADLO Cc1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000424570991 1029143014 /nfs/dbraw/zinc/14/30/14/1029143014.db2.gz TWNBPILQVITEPY-NHCUHLMSSA-N 1 2 345.446 3.660 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2ccc(F)cc2O1 ZINC000445805392 1029143292 /nfs/dbraw/zinc/14/32/92/1029143292.db2.gz JZQBJQGLMSANFF-OAHLLOKOSA-N 1 2 337.398 3.858 20 0 EHADLO Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000424570995 1029144146 /nfs/dbraw/zinc/14/41/46/1029144146.db2.gz TWNBPILQVITEPY-RTWAWAEBSA-N 1 2 345.446 3.660 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245724879 1029146958 /nfs/dbraw/zinc/14/69/58/1029146958.db2.gz IPPHCHIQMPQKRI-YWZLYKJASA-N 1 2 327.472 3.507 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245724879 1029146973 /nfs/dbraw/zinc/14/69/73/1029146973.db2.gz IPPHCHIQMPQKRI-YWZLYKJASA-N 1 2 327.472 3.507 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000614963711 1029153938 /nfs/dbraw/zinc/15/39/38/1029153938.db2.gz QEXKTPPAXNWTPQ-GBXCKJPGSA-N 1 2 336.460 3.868 20 0 EHADLO CC(C)c1nc2cc(NC(=O)NCCCCn3cc[nH+]c3)ccc2o1 ZINC000079770553 1029169258 /nfs/dbraw/zinc/16/92/58/1029169258.db2.gz GYGOHIWCYKCAJY-UHFFFAOYSA-N 1 2 341.415 3.750 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2-c2c(C)cccc2C)ccc1F ZINC000271792452 1029173800 /nfs/dbraw/zinc/17/38/00/1029173800.db2.gz NMZMMXPVTUURGU-OAHLLOKOSA-N 1 2 339.418 3.577 20 0 EHADLO Cc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c(OC(C)C)c1 ZINC000454660290 1029176655 /nfs/dbraw/zinc/17/66/55/1029176655.db2.gz OTJQVZMFURBWCS-UHFFFAOYSA-N 1 2 341.455 3.793 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(OCC(F)F)c2)c[nH+]1 ZINC000454700611 1029187728 /nfs/dbraw/zinc/18/77/28/1029187728.db2.gz VXYKEATVIBKEFT-UHFFFAOYSA-N 1 2 349.381 3.972 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[C@@H](F)C1 ZINC000424614191 1029204470 /nfs/dbraw/zinc/20/44/70/1029204470.db2.gz VWRLNRKSJFTENU-CHWSQXEVSA-N 1 2 325.453 3.596 20 0 EHADLO COCCc1ccccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343104137 1029204482 /nfs/dbraw/zinc/20/44/82/1029204482.db2.gz IGOCYNBAKTZDGO-GOSISDBHSA-N 1 2 349.434 3.759 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424688777 1029236608 /nfs/dbraw/zinc/23/66/08/1029236608.db2.gz CZDZNYRKCUQAET-ZWKOTPCHSA-N 1 2 347.478 3.675 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000424719827 1029270505 /nfs/dbraw/zinc/27/05/05/1029270505.db2.gz JHDLZFYAHROZPF-QWFCFKBJSA-N 1 2 339.483 3.870 20 0 EHADLO Cc1ccc(CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000065614571 1029317160 /nfs/dbraw/zinc/31/71/60/1029317160.db2.gz NABBPTYUVJXLKG-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1cccs1 ZINC000533089750 1029317188 /nfs/dbraw/zinc/31/71/88/1029317188.db2.gz LOFKVZJNGRFUGI-CJNGLKHVSA-N 1 2 340.558 3.779 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c[nH+]1 ZINC000454778882 1029321369 /nfs/dbraw/zinc/32/13/69/1029321369.db2.gz UDOWPMCUMXFXAO-ZDUSSCGKSA-N 1 2 331.382 3.865 20 0 EHADLO CC(C)c1oc([C@@H]2CCC[N@@H+]2CC2OCCO2)nc1-c1ccccc1 ZINC000272133022 1029324361 /nfs/dbraw/zinc/32/43/61/1029324361.db2.gz VDKVWKMKFWVOGI-INIZCTEOSA-N 1 2 342.439 3.975 20 0 EHADLO CC(C)c1oc([C@@H]2CCC[N@H+]2CC2OCCO2)nc1-c1ccccc1 ZINC000272133022 1029324372 /nfs/dbraw/zinc/32/43/72/1029324372.db2.gz VDKVWKMKFWVOGI-INIZCTEOSA-N 1 2 342.439 3.975 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000524592335 1029344495 /nfs/dbraw/zinc/34/44/95/1029344495.db2.gz GVUMWPPZUYJDKQ-LJQANCHMSA-N 1 2 344.405 3.874 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000154943200 1029381510 /nfs/dbraw/zinc/38/15/10/1029381510.db2.gz OBYIHYNNWNBTKX-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000154943200 1029381524 /nfs/dbraw/zinc/38/15/24/1029381524.db2.gz OBYIHYNNWNBTKX-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000054513570 1029387049 /nfs/dbraw/zinc/38/70/49/1029387049.db2.gz BYNCEESPEUBWDH-HNNXBMFYSA-N 1 2 332.469 3.552 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000054513570 1029387064 /nfs/dbraw/zinc/38/70/64/1029387064.db2.gz BYNCEESPEUBWDH-HNNXBMFYSA-N 1 2 332.469 3.552 20 0 EHADLO [NH3+][C@H](c1nc(-c2ccc(F)cc2)no1)c1ccccc1Br ZINC001212088825 1029390473 /nfs/dbraw/zinc/39/04/73/1029390473.db2.gz HQXRGSWQXHUWIA-ZDUSSCGKSA-N 1 2 348.175 3.686 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccnc1Cl ZINC000272279201 1029393693 /nfs/dbraw/zinc/39/36/93/1029393693.db2.gz QCHPXFAJPIIAOT-MCIONIFRSA-N 1 2 346.862 3.917 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[nH]1 ZINC000272333985 1029422787 /nfs/dbraw/zinc/42/27/87/1029422787.db2.gz SCMCTHFJGVBDNA-ZDUSSCGKSA-N 1 2 344.459 3.734 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(Br)n1)c1nc(C)cs1 ZINC000272450560 1029464797 /nfs/dbraw/zinc/46/47/97/1029464797.db2.gz VZKZXCJGMCPJHJ-LLVKDONJSA-N 1 2 326.263 3.850 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054023065 1029462436 /nfs/dbraw/zinc/46/24/36/1029462436.db2.gz ZWNOUUPCGKEEBS-UHFFFAOYSA-N 1 2 342.487 3.755 20 0 EHADLO CCOc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000454931914 1029469639 /nfs/dbraw/zinc/46/96/39/1029469639.db2.gz VYEDLOCLETVMNZ-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505344247 1029470362 /nfs/dbraw/zinc/47/03/62/1029470362.db2.gz KOLUGHNYYGPPSD-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO O=C(Nc1csc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000272519101 1029495529 /nfs/dbraw/zinc/49/55/29/1029495529.db2.gz XZFIKTUQHRLHHV-UHFFFAOYSA-N 1 2 326.425 3.967 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C)CCC(C)CC3)cn2c1 ZINC000505385535 1029504627 /nfs/dbraw/zinc/50/46/27/1029504627.db2.gz BCRIILKUPUSCDF-UHFFFAOYSA-N 1 2 345.512 3.961 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nncn2-c2ccccc2)c1 ZINC000278176512 1029517425 /nfs/dbraw/zinc/51/74/25/1029517425.db2.gz QMKMDMZUHUVINI-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2nncn2-c2ccccc2)c1 ZINC000278176512 1029517432 /nfs/dbraw/zinc/51/74/32/1029517432.db2.gz QMKMDMZUHUVINI-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000343162794 1029561140 /nfs/dbraw/zinc/56/11/40/1029561140.db2.gz RCOIGJIYAIAJST-UZLBHIALSA-N 1 2 331.419 3.765 20 0 EHADLO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000487521037 1029627145 /nfs/dbraw/zinc/62/71/45/1029627145.db2.gz UPYFELKBPZJGFP-HNNXBMFYSA-N 1 2 340.492 3.756 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@@H](COC)C1 ZINC000524945507 1029630544 /nfs/dbraw/zinc/63/05/44/1029630544.db2.gz YZRLUBAWACXNBH-OAHLLOKOSA-N 1 2 342.439 3.501 20 0 EHADLO O=C(Nc1ccsc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000446464903 1029650809 /nfs/dbraw/zinc/65/08/09/1029650809.db2.gz RQWWNALNKMTRHR-UHFFFAOYSA-N 1 2 341.889 3.813 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000611783472 1029660353 /nfs/dbraw/zinc/66/03/53/1029660353.db2.gz CSUMOGUWALSJCR-DCAQKATOSA-N 1 2 349.315 3.637 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000126159834 1029675193 /nfs/dbraw/zinc/67/51/93/1029675193.db2.gz RKDMZBNHPZRXEJ-QVUXXXOXSA-N 1 2 327.403 3.535 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427990337 1029685244 /nfs/dbraw/zinc/68/52/44/1029685244.db2.gz IGVLHQSJPKJBEO-GOSISDBHSA-N 1 2 339.483 3.635 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnc2ccccn21 ZINC000508682341 1029729860 /nfs/dbraw/zinc/72/98/60/1029729860.db2.gz ZICGUGLDGJQARQ-UHFFFAOYSA-N 1 2 344.418 3.695 20 0 EHADLO CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc2o1 ZINC000156052123 1029731939 /nfs/dbraw/zinc/73/19/39/1029731939.db2.gz IIVQBVQTGAXBRK-LBPRGKRZSA-N 1 2 338.411 3.523 20 0 EHADLO Cc1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cc[nH+]1 ZINC000080220783 1029739329 /nfs/dbraw/zinc/73/93/29/1029739329.db2.gz YTHULAAMMVJOHR-UHFFFAOYSA-N 1 2 329.375 3.766 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1cccc(N2CCCC2)c1 ZINC000126521093 1029741210 /nfs/dbraw/zinc/74/12/10/1029741210.db2.gz ZAHXWLRGOBIOAP-KGLIPLIRSA-N 1 2 326.444 3.959 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)cn1 ZINC000459691447 1029759899 /nfs/dbraw/zinc/75/98/99/1029759899.db2.gz DISJAXYJVFLJIZ-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCc3cccc(Cl)c3C2)cn1 ZINC000459691447 1029759902 /nfs/dbraw/zinc/75/99/02/1029759902.db2.gz DISJAXYJVFLJIZ-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000583397135 1029761950 /nfs/dbraw/zinc/76/19/50/1029761950.db2.gz ILXHZJKLZPOBGQ-XLIONFOSSA-N 1 2 339.483 3.876 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525329137 1029795173 /nfs/dbraw/zinc/79/51/73/1029795173.db2.gz CXMKZSVQLRAVFN-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525329137 1029795175 /nfs/dbraw/zinc/79/51/75/1029795175.db2.gz CXMKZSVQLRAVFN-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO Cc1ccc(C(F)(F)F)c(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580126 1029801513 /nfs/dbraw/zinc/80/15/13/1029801513.db2.gz NBHDCRVEBWUKBL-NSHDSACASA-N 1 2 347.287 3.776 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)n1 ZINC000156342018 1029808094 /nfs/dbraw/zinc/80/80/94/1029808094.db2.gz NESKJYUJEHYUMG-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cc(NCc2ccncc2OCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000343224987 1029810944 /nfs/dbraw/zinc/81/09/44/1029810944.db2.gz NEHJVLLVJXTAFI-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000343223843 1029816936 /nfs/dbraw/zinc/81/69/36/1029816936.db2.gz JXEJBIKRCQYVLY-UHFFFAOYSA-N 1 2 348.903 3.700 20 0 EHADLO CC(C)Sc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000127026656 1029822661 /nfs/dbraw/zinc/82/26/61/1029822661.db2.gz SIIJMFBUKCVSLT-UHFFFAOYSA-N 1 2 332.473 3.938 20 0 EHADLO COc1ccc(-n2c3ccccc3[nH+]c2NCc2cncc(F)c2)cc1 ZINC000446875509 1029839264 /nfs/dbraw/zinc/83/92/64/1029839264.db2.gz LHUMKGNIESJMJV-UHFFFAOYSA-N 1 2 348.381 3.602 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+]CCCc2cnn(C)c2)C(F)F)c1 ZINC000555903655 1029896198 /nfs/dbraw/zinc/89/61/98/1029896198.db2.gz VTQIXQJOFVWJTE-QGZVFWFLSA-N 1 2 337.414 3.736 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000428685898 1029897022 /nfs/dbraw/zinc/89/70/22/1029897022.db2.gz YMZXQNXEHYVFAM-QGZVFWFLSA-N 1 2 342.487 3.671 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)cs1 ZINC000447060325 1029898053 /nfs/dbraw/zinc/89/80/53/1029898053.db2.gz PEJBEPLCZQLRAF-AWEZNQCLSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)cs1 ZINC000447060325 1029898069 /nfs/dbraw/zinc/89/80/69/1029898069.db2.gz PEJBEPLCZQLRAF-AWEZNQCLSA-N 1 2 338.480 3.710 20 0 EHADLO COC1([C@@H](C)[NH2+]CC(F)(F)c2ccc(Cl)cc2)CCOCC1 ZINC000453220780 1029932756 /nfs/dbraw/zinc/93/27/56/1029932756.db2.gz XBQIINISTRERBZ-GFCCVEGCSA-N 1 2 333.806 3.606 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000151019914 1029949456 /nfs/dbraw/zinc/94/94/56/1029949456.db2.gz AXEDWINUWLMHBQ-QGZVFWFLSA-N 1 2 339.483 3.589 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2cccnc2)cc1 ZINC000151019914 1029949467 /nfs/dbraw/zinc/94/94/67/1029949467.db2.gz AXEDWINUWLMHBQ-QGZVFWFLSA-N 1 2 339.483 3.589 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H](C)CCC[C@H]3C)cn2c1 ZINC000525618225 1029972795 /nfs/dbraw/zinc/97/27/95/1029972795.db2.gz PKNGPGQZRFIAPK-GOEBONIOSA-N 1 2 345.512 3.913 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000089912159 1030025898 /nfs/dbraw/zinc/02/58/98/1030025898.db2.gz ODQYBKUKYKCGKN-UHFFFAOYSA-N 1 2 341.411 3.980 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)o1 ZINC000525695701 1030029578 /nfs/dbraw/zinc/02/95/78/1030029578.db2.gz IYZQLFAMQNEAGV-DYVFJYSZSA-N 1 2 345.439 3.651 20 0 EHADLO Cc1ccc([C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000481858771 1030042037 /nfs/dbraw/zinc/04/20/37/1030042037.db2.gz WMZVKTIUCDOGJA-FPOVZHCZSA-N 1 2 345.446 3.660 20 0 EHADLO CCC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1F ZINC000600629229 1030081211 /nfs/dbraw/zinc/08/12/11/1030081211.db2.gz GYTBKXMNNSMDDZ-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO CCC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1F ZINC000600629229 1030081220 /nfs/dbraw/zinc/08/12/20/1030081220.db2.gz GYTBKXMNNSMDDZ-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO Cc1cc(NC[C@H](c2ccccc2)C(C)(C)CO)nc(C2CC2)[nH+]1 ZINC000120771443 1030088129 /nfs/dbraw/zinc/08/81/29/1030088129.db2.gz DEJNWXLJRQAULA-QGZVFWFLSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000156880295 1030090176 /nfs/dbraw/zinc/09/01/76/1030090176.db2.gz OMRXXTKOARNHRP-CRAIPNDOSA-N 1 2 330.472 3.592 20 0 EHADLO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000453320514 1030096803 /nfs/dbraw/zinc/09/68/03/1030096803.db2.gz MHMFQVANAVELEL-CYBMUJFWSA-N 1 2 329.778 3.916 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000343287539 1030097609 /nfs/dbraw/zinc/09/76/09/1030097609.db2.gz BBBFHOBQVPFMMX-YOEHRIQHSA-N 1 2 331.847 3.612 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2F)c1 ZINC000120713797 1030100603 /nfs/dbraw/zinc/10/06/03/1030100603.db2.gz GJWUFUQYLJJTFF-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)c1 ZINC000120713797 1030100614 /nfs/dbraw/zinc/10/06/14/1030100614.db2.gz GJWUFUQYLJJTFF-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000525757637 1030104899 /nfs/dbraw/zinc/10/48/99/1030104899.db2.gz VXGBNLJRFVQCRK-LJQANCHMSA-N 1 2 342.487 3.634 20 0 EHADLO CC(C)CC[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1ccoc1 ZINC000453346436 1030133772 /nfs/dbraw/zinc/13/37/72/1030133772.db2.gz ICQXLFNSJUBCCB-HNNXBMFYSA-N 1 2 325.416 3.727 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](c1ccccc1)C(F)F)C2 ZINC000481966429 1030139393 /nfs/dbraw/zinc/13/93/93/1030139393.db2.gz TZVLRINXSSOFCS-XJKSGUPXSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](c1ccccc1)C(F)F)CC2 ZINC000481966429 1030139407 /nfs/dbraw/zinc/13/94/07/1030139407.db2.gz TZVLRINXSSOFCS-XJKSGUPXSA-N 1 2 347.409 3.761 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900142073 1030140875 /nfs/dbraw/zinc/14/08/75/1030140875.db2.gz SDXYPKPQAAYFSC-QFBILLFUSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657772511 1030163531 /nfs/dbraw/zinc/16/35/31/1030163531.db2.gz FFAIQJTVECIBCO-OAHLLOKOSA-N 1 2 342.270 3.902 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(C(C)(C)C)o1 ZINC000052450903 1030206631 /nfs/dbraw/zinc/20/66/31/1030206631.db2.gz XJTQLCJTLJJEIG-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(C(C)(C)C)o1 ZINC000052450903 1030206642 /nfs/dbraw/zinc/20/66/42/1030206642.db2.gz XJTQLCJTLJJEIG-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000668682076 1030219561 /nfs/dbraw/zinc/21/95/61/1030219561.db2.gz VIMJHERYKRQPOS-HNNXBMFYSA-N 1 2 331.847 3.536 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000121266584 1030226300 /nfs/dbraw/zinc/22/63/00/1030226300.db2.gz NAMNPXSVBANKLR-INIZCTEOSA-N 1 2 343.496 3.514 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)n1cc[nH+]c1 ZINC000565052675 1030237486 /nfs/dbraw/zinc/23/74/86/1030237486.db2.gz WEIILUDSLLGTCV-VIFPVBQESA-N 1 2 338.289 3.633 20 0 EHADLO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647301022 1030266458 /nfs/dbraw/zinc/26/64/58/1030266458.db2.gz OMYIYTLWCKXLHM-CYBMUJFWSA-N 1 2 325.412 3.825 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000121456999 1030272455 /nfs/dbraw/zinc/27/24/55/1030272455.db2.gz NYQJBXFWGMVLJW-HZPDHXFCSA-N 1 2 343.496 3.898 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701962 1030286996 /nfs/dbraw/zinc/28/69/96/1030286996.db2.gz ICUHYNDGNSSUJL-OXJNMPFZSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701962 1030287013 /nfs/dbraw/zinc/28/70/13/1030287013.db2.gz ICUHYNDGNSSUJL-OXJNMPFZSA-N 1 2 325.456 3.588 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)c1ccc(Cl)cc1 ZINC000647301564 1030319416 /nfs/dbraw/zinc/31/94/16/1030319416.db2.gz CQNZSCAXENAWON-ACJLOTCBSA-N 1 2 333.863 3.911 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000583639476 1030342533 /nfs/dbraw/zinc/34/25/33/1030342533.db2.gz ILVYRSCHWSGGGV-KRWDZBQOSA-N 1 2 339.483 3.768 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000583639476 1030342549 /nfs/dbraw/zinc/34/25/49/1030342549.db2.gz ILVYRSCHWSGGGV-KRWDZBQOSA-N 1 2 339.483 3.768 20 0 EHADLO CCc1cccc2cc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)oc21 ZINC000668033096 1030387909 /nfs/dbraw/zinc/38/79/09/1030387909.db2.gz SRKQHDJKJRESJM-ZWKOTPCHSA-N 1 2 327.424 3.565 20 0 EHADLO CCc1cccc2cc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)oc21 ZINC000668033096 1030387923 /nfs/dbraw/zinc/38/79/23/1030387923.db2.gz SRKQHDJKJRESJM-ZWKOTPCHSA-N 1 2 327.424 3.565 20 0 EHADLO c1cc(CNc2ccc(N3CCCC3)c[nH+]2)cc(-c2ccncc2)c1 ZINC000343344720 1030404640 /nfs/dbraw/zinc/40/46/40/1030404640.db2.gz DKJSFBDRRKSAAI-UHFFFAOYSA-N 1 2 330.435 3.778 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cccc(-n4cccn4)c3)CCCCC2)no1 ZINC000532122465 1030419059 /nfs/dbraw/zinc/41/90/59/1030419059.db2.gz MGTILSWZNRVJMS-UHFFFAOYSA-N 1 2 337.427 3.513 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)s1 ZINC000092436113 1030453528 /nfs/dbraw/zinc/45/35/28/1030453528.db2.gz CWUNOBBVSBYROF-INIZCTEOSA-N 1 2 349.500 3.764 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)s1 ZINC000092436113 1030453535 /nfs/dbraw/zinc/45/35/35/1030453535.db2.gz CWUNOBBVSBYROF-INIZCTEOSA-N 1 2 349.500 3.764 20 0 EHADLO Cc1cnn(CC2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)c1 ZINC000447741315 1030461071 /nfs/dbraw/zinc/46/10/71/1030461071.db2.gz MSOYJZMZIDXCJD-UHFFFAOYSA-N 1 2 344.406 3.579 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482125 1030465941 /nfs/dbraw/zinc/46/59/41/1030465941.db2.gz HCODUPHPQWMXMR-DOMZBBRYSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482125 1030465950 /nfs/dbraw/zinc/46/59/50/1030465950.db2.gz HCODUPHPQWMXMR-DOMZBBRYSA-N 1 2 329.893 3.754 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611783474 1030480898 /nfs/dbraw/zinc/48/08/98/1030480898.db2.gz CSUMOGUWALSJCR-OUAUKWLOSA-N 1 2 349.315 3.637 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611783474 1030480908 /nfs/dbraw/zinc/48/09/08/1030480908.db2.gz CSUMOGUWALSJCR-OUAUKWLOSA-N 1 2 349.315 3.637 20 0 EHADLO FC(F)(F)c1ncc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000447798318 1030481138 /nfs/dbraw/zinc/48/11/38/1030481138.db2.gz VIOZWPNRGYHNSV-UHFFFAOYSA-N 1 2 347.431 3.541 20 0 EHADLO Cc1csc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1Cl ZINC000343359135 1030481349 /nfs/dbraw/zinc/48/13/49/1030481349.db2.gz IPJGAMDMHWHOML-UHFFFAOYSA-N 1 2 332.816 3.602 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1cnc(C(F)(F)F)s1 ZINC000447797091 1030481609 /nfs/dbraw/zinc/48/16/09/1030481609.db2.gz GDIRYGZHTLBZSS-UHFFFAOYSA-N 1 2 334.338 3.812 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1cnc(C(F)(F)F)s1 ZINC000447797091 1030481619 /nfs/dbraw/zinc/48/16/19/1030481619.db2.gz GDIRYGZHTLBZSS-UHFFFAOYSA-N 1 2 334.338 3.812 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2c1 ZINC000171038984 1030494095 /nfs/dbraw/zinc/49/40/95/1030494095.db2.gz SVPJLXXSUZCGOR-QGZVFWFLSA-N 1 2 335.407 3.671 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2c1 ZINC000171038984 1030494104 /nfs/dbraw/zinc/49/41/04/1030494104.db2.gz SVPJLXXSUZCGOR-QGZVFWFLSA-N 1 2 335.407 3.671 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2C)c(C)c[nH+]1 ZINC000526961727 1030521320 /nfs/dbraw/zinc/52/13/20/1030521320.db2.gz NWOVXCGQRSJRCK-UHFFFAOYSA-N 1 2 337.345 3.769 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(-c3cc[nH]n3)c1)C2 ZINC000526981389 1030539325 /nfs/dbraw/zinc/53/93/25/1030539325.db2.gz GFOBFVFWQRUWQG-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(-c3cc[nH]n3)c1)CC2 ZINC000526981389 1030539328 /nfs/dbraw/zinc/53/93/28/1030539328.db2.gz GFOBFVFWQRUWQG-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(-c3cc[nH]n3)c1)C2 ZINC000526981390 1030540343 /nfs/dbraw/zinc/54/03/43/1030540343.db2.gz GFOBFVFWQRUWQG-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(-c3cc[nH]n3)c1)CC2 ZINC000526981390 1030540354 /nfs/dbraw/zinc/54/03/54/1030540354.db2.gz GFOBFVFWQRUWQG-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1nc3c(s1)CCCC3)C2 ZINC000526987943 1030548446 /nfs/dbraw/zinc/54/84/46/1030548446.db2.gz JTJUSFYSXZKIMJ-NSHDSACASA-N 1 2 344.484 3.612 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1nc3c(s1)CCCC3)CC2 ZINC000526987943 1030548455 /nfs/dbraw/zinc/54/84/55/1030548455.db2.gz JTJUSFYSXZKIMJ-NSHDSACASA-N 1 2 344.484 3.612 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCc3c1cccc3F)C2 ZINC000526989861 1030550727 /nfs/dbraw/zinc/55/07/27/1030550727.db2.gz BUBQSUWRRZACHH-WBMJQRKESA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCc3c1cccc3F)CC2 ZINC000526989861 1030550743 /nfs/dbraw/zinc/55/07/43/1030550743.db2.gz BUBQSUWRRZACHH-WBMJQRKESA-N 1 2 341.430 3.581 20 0 EHADLO Cc1noc(C2(C)CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000378564043 1030554230 /nfs/dbraw/zinc/55/42/30/1030554230.db2.gz HWLBXVIFPPLDGD-UHFFFAOYSA-N 1 2 343.475 3.973 20 0 EHADLO Cc1cccc(C[N@H+](Cc2cnc3cnccn23)Cc2ccccn2)c1 ZINC000093086570 1030557964 /nfs/dbraw/zinc/55/79/64/1030557964.db2.gz KECXMZYFYAEFIY-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2cnc3cnccn23)Cc2ccccn2)c1 ZINC000093086570 1030557972 /nfs/dbraw/zinc/55/79/72/1030557972.db2.gz KECXMZYFYAEFIY-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000447890787 1030569864 /nfs/dbraw/zinc/56/98/64/1030569864.db2.gz ZSFUJZGIUGKGPG-ZIAGYGMSSA-N 1 2 347.846 3.748 20 0 EHADLO COc1cccc([C@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000193662945 1030600757 /nfs/dbraw/zinc/60/07/57/1030600757.db2.gz OPRZNMFLAUMMHD-ZDUSSCGKSA-N 1 2 339.370 3.762 20 0 EHADLO CCCOc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508614951 1030610579 /nfs/dbraw/zinc/61/05/79/1030610579.db2.gz MJOVHTYEBJQAJV-MDZRGWNJSA-N 1 2 348.487 3.548 20 0 EHADLO C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)CO1 ZINC000575279125 1030614120 /nfs/dbraw/zinc/61/41/20/1030614120.db2.gz DOPPSIDTDAKLPI-IUCAKERBSA-N 1 2 325.181 3.726 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194032988 1030641504 /nfs/dbraw/zinc/64/15/04/1030641504.db2.gz TZVJPTKBDHLGQD-RHSMWYFYSA-N 1 2 344.434 3.732 20 0 EHADLO CCCCNc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000343389806 1030653885 /nfs/dbraw/zinc/65/38/85/1030653885.db2.gz BDIMONFKIYJZHC-UHFFFAOYSA-N 1 2 326.444 3.526 20 0 EHADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000093773196 1030672085 /nfs/dbraw/zinc/67/20/85/1030672085.db2.gz ULJQQDKNQKKNPL-GFCCVEGCSA-N 1 2 335.835 3.502 20 0 EHADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000093773196 1030672088 /nfs/dbraw/zinc/67/20/88/1030672088.db2.gz ULJQQDKNQKKNPL-GFCCVEGCSA-N 1 2 335.835 3.502 20 0 EHADLO Cn1nccc1[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000448033657 1030673372 /nfs/dbraw/zinc/67/33/72/1030673372.db2.gz YUBXGESPCUANDQ-IRXDYDNUSA-N 1 2 339.487 3.944 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1nccn1C ZINC000657792369 1030689224 /nfs/dbraw/zinc/68/92/24/1030689224.db2.gz AGRQINMKPCQUME-SSDOTTSWSA-N 1 2 334.670 3.748 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555742 1030690055 /nfs/dbraw/zinc/69/00/55/1030690055.db2.gz TZHFMMHAGTXRQO-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555742 1030690066 /nfs/dbraw/zinc/69/00/66/1030690066.db2.gz TZHFMMHAGTXRQO-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO O=C(Nc1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000170692385 1030698895 /nfs/dbraw/zinc/69/88/95/1030698895.db2.gz OYJYHBFPUMZRSE-MOPGFXCFSA-N 1 2 332.407 3.933 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccs3)no2)cc1F ZINC000170765106 1030700750 /nfs/dbraw/zinc/70/07/50/1030700750.db2.gz OQYUJMKTOZJCPW-JTQLQIEISA-N 1 2 333.388 3.797 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1cn2ccccc2n1 ZINC000360020098 1030715931 /nfs/dbraw/zinc/71/59/31/1030715931.db2.gz KQTLQCVTDCWNHB-CYBMUJFWSA-N 1 2 334.206 3.864 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235617 1030726975 /nfs/dbraw/zinc/72/69/75/1030726975.db2.gz LRXMWZQVMCOPIW-RDJZCZTQSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235617 1030726994 /nfs/dbraw/zinc/72/69/94/1030726994.db2.gz LRXMWZQVMCOPIW-RDJZCZTQSA-N 1 2 337.467 3.750 20 0 EHADLO CC(C)(C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1cccs1 ZINC000550885919 1030764062 /nfs/dbraw/zinc/76/40/62/1030764062.db2.gz LYDUJQWYBGATLS-INIZCTEOSA-N 1 2 330.432 3.662 20 0 EHADLO CC(C)(C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)c1cccs1 ZINC000550885919 1030764079 /nfs/dbraw/zinc/76/40/79/1030764079.db2.gz LYDUJQWYBGATLS-INIZCTEOSA-N 1 2 330.432 3.662 20 0 EHADLO Cc1ccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000042539708 1030796240 /nfs/dbraw/zinc/79/62/40/1030796240.db2.gz KNMZIRRJEUSRJX-AWEZNQCLSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1ccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000042539708 1030796256 /nfs/dbraw/zinc/79/62/56/1030796256.db2.gz KNMZIRRJEUSRJX-AWEZNQCLSA-N 1 2 327.453 3.568 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000668182860 1030884729 /nfs/dbraw/zinc/88/47/29/1030884729.db2.gz PZRHFMNJAWRFES-JKSUJKDBSA-N 1 2 344.430 3.503 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCCc1ccccc1 ZINC000151172215 1030935467 /nfs/dbraw/zinc/93/54/67/1030935467.db2.gz BZDZCYLMUSLWJP-UTKZUKDTSA-N 1 2 348.446 3.706 20 0 EHADLO C[C@@H]1CC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000172374402 1030950086 /nfs/dbraw/zinc/95/00/86/1030950086.db2.gz DYPVKVGKFGUDRP-HOTGVXAUSA-N 1 2 340.471 3.555 20 0 EHADLO c1coc(C[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H]2CCCO2)c1 ZINC000448339837 1030956081 /nfs/dbraw/zinc/95/60/81/1030956081.db2.gz RTYNJYDKJFTLKC-FQEVSTJZSA-N 1 2 337.423 3.647 20 0 EHADLO c1coc(C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H]2CCCO2)c1 ZINC000448339837 1030956099 /nfs/dbraw/zinc/95/60/99/1030956099.db2.gz RTYNJYDKJFTLKC-FQEVSTJZSA-N 1 2 337.423 3.647 20 0 EHADLO O=C(NCC1(c2cccc(F)c2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343469087 1031004438 /nfs/dbraw/zinc/00/44/38/1031004438.db2.gz IHRIQODRQKNGKF-UHFFFAOYSA-N 1 2 349.409 3.532 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000483152903 1031006757 /nfs/dbraw/zinc/00/67/57/1031006757.db2.gz CJRQOLKHKICNFE-JOCHJYFZSA-N 1 2 346.478 3.944 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000483152903 1031006772 /nfs/dbraw/zinc/00/67/72/1031006772.db2.gz CJRQOLKHKICNFE-JOCHJYFZSA-N 1 2 346.478 3.944 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccccc1OCC1CC1 ZINC000448366732 1031016055 /nfs/dbraw/zinc/01/60/55/1031016055.db2.gz NLKPSHUSRXRHAQ-UHFFFAOYSA-N 1 2 332.469 3.581 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccccc1OCC1CC1 ZINC000448366732 1031016072 /nfs/dbraw/zinc/01/60/72/1031016072.db2.gz NLKPSHUSRXRHAQ-UHFFFAOYSA-N 1 2 332.469 3.581 20 0 EHADLO Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000476924848 1031087676 /nfs/dbraw/zinc/08/76/76/1031087676.db2.gz XSTLWGVWAGASPQ-UHFFFAOYSA-N 1 2 347.827 3.839 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000483330949 1031108538 /nfs/dbraw/zinc/10/85/38/1031108538.db2.gz NJAQSUZYMCOVRC-BZSISCHUSA-N 1 2 338.495 3.784 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000483330949 1031108550 /nfs/dbraw/zinc/10/85/50/1031108550.db2.gz NJAQSUZYMCOVRC-BZSISCHUSA-N 1 2 338.495 3.784 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CCC2CC2)nc1-c1ccncc1 ZINC000760537110 1031109338 /nfs/dbraw/zinc/10/93/38/1031109338.db2.gz BLBDZCFVIZEJLS-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CCC2CC2)nc1-c1ccncc1 ZINC000760537110 1031109347 /nfs/dbraw/zinc/10/93/47/1031109347.db2.gz BLBDZCFVIZEJLS-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000760538568 1031110059 /nfs/dbraw/zinc/11/00/59/1031110059.db2.gz LPTXLGDQSBTESG-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000760538568 1031110066 /nfs/dbraw/zinc/11/00/66/1031110066.db2.gz LPTXLGDQSBTESG-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO Cc1nnc([C@H]2C[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000247549011 1031118129 /nfs/dbraw/zinc/11/81/29/1031118129.db2.gz PSRKXXDKIRQMJQ-CXAGYDPISA-N 1 2 328.460 3.545 20 0 EHADLO Cc1nnc([C@H]2C[N@@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000247549011 1031118137 /nfs/dbraw/zinc/11/81/37/1031118137.db2.gz PSRKXXDKIRQMJQ-CXAGYDPISA-N 1 2 328.460 3.545 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000483419995 1031153887 /nfs/dbraw/zinc/15/38/87/1031153887.db2.gz MHIWCMUAKRLMHM-KRWDZBQOSA-N 1 2 335.904 3.980 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000483419995 1031153897 /nfs/dbraw/zinc/15/38/97/1031153897.db2.gz MHIWCMUAKRLMHM-KRWDZBQOSA-N 1 2 335.904 3.980 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000527724498 1031153942 /nfs/dbraw/zinc/15/39/42/1031153942.db2.gz HNWZREYIJGQGIM-TVQRCGJNSA-N 1 2 344.249 3.861 20 0 EHADLO Cc1cc(-c2noc(C[N@H+](C)CCOc3ccccc3)n2)ccc1F ZINC000483425559 1031158760 /nfs/dbraw/zinc/15/87/60/1031158760.db2.gz IZTVQOSVZKZYLU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+](C)CCOc3ccccc3)n2)ccc1F ZINC000483425559 1031158769 /nfs/dbraw/zinc/15/87/69/1031158769.db2.gz IZTVQOSVZKZYLU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)[nH+]c12 ZINC000611795100 1031179092 /nfs/dbraw/zinc/17/90/92/1031179092.db2.gz MWQWSVXJAGDQAH-PIIMJCKOSA-N 1 2 325.456 3.518 20 0 EHADLO Nc1ccc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)c[nH+]1 ZINC000448541958 1031188824 /nfs/dbraw/zinc/18/88/24/1031188824.db2.gz JGWOAPKOYYGKCD-UHFFFAOYSA-N 1 2 334.379 3.608 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000174366905 1031204640 /nfs/dbraw/zinc/20/46/40/1031204640.db2.gz KOROORNKUSUJAZ-IRXDYDNUSA-N 1 2 329.469 3.619 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000583949070 1031206330 /nfs/dbraw/zinc/20/63/30/1031206330.db2.gz KRNSKHGYHUUHRJ-SZVBFZGTSA-N 1 2 336.414 3.877 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCSc3ccccc3)CCO2)c1 ZINC000483521522 1031210240 /nfs/dbraw/zinc/21/02/40/1031210240.db2.gz YOWLRYPEYRBYTE-IBGZPJMESA-N 1 2 329.465 3.861 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCSc3ccccc3)CCO2)c1 ZINC000483521522 1031210252 /nfs/dbraw/zinc/21/02/52/1031210252.db2.gz YOWLRYPEYRBYTE-IBGZPJMESA-N 1 2 329.465 3.861 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)n(C(C)(C)C)n1 ZINC000536169192 1031210902 /nfs/dbraw/zinc/21/09/02/1031210902.db2.gz JRFNORSEGWJCEF-UHFFFAOYSA-N 1 2 332.492 3.563 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CC=C(C(C)(C)C)CC2)n(C(C)(C)C)n1 ZINC000536169192 1031210919 /nfs/dbraw/zinc/21/09/19/1031210919.db2.gz JRFNORSEGWJCEF-UHFFFAOYSA-N 1 2 332.492 3.563 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000132024486 1031217756 /nfs/dbraw/zinc/21/77/56/1031217756.db2.gz MGVIVUPXAQVSLL-SFHVURJKSA-N 1 2 344.503 3.792 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158288822 1031235252 /nfs/dbraw/zinc/23/52/52/1031235252.db2.gz KCZMRAFMNGCKLQ-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO COCc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000174664643 1031240053 /nfs/dbraw/zinc/24/00/53/1031240053.db2.gz RDXQTIZILOYGMR-ZDUSSCGKSA-N 1 2 341.386 3.873 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCCC2)c1 ZINC000635351144 1031249306 /nfs/dbraw/zinc/24/93/06/1031249306.db2.gz RFSYKSARROZASO-QZTJIDSGSA-N 1 2 337.467 3.840 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCCC2)c1 ZINC000635351144 1031249316 /nfs/dbraw/zinc/24/93/16/1031249316.db2.gz RFSYKSARROZASO-QZTJIDSGSA-N 1 2 337.467 3.840 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000551352512 1031259996 /nfs/dbraw/zinc/25/99/96/1031259996.db2.gz ZYUDDXZDAWPDLM-IEBWSBKVSA-N 1 2 327.472 3.540 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CC23CCCCC3)c1)[NH+]1CCOCC1 ZINC000477109796 1031262525 /nfs/dbraw/zinc/26/25/25/1031262525.db2.gz DLBXNXJPUZRLOQ-VQIMIIECSA-N 1 2 342.483 3.989 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175032740 1031268349 /nfs/dbraw/zinc/26/83/49/1031268349.db2.gz GIVWLGIJXZYMJR-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175032740 1031268371 /nfs/dbraw/zinc/26/83/71/1031268371.db2.gz GIVWLGIJXZYMJR-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO O=C1c2c(cccc2Nc2ccc(-c3[nH]cc[nH+]3)cc2)CN1C1CC1 ZINC001213091708 1031268718 /nfs/dbraw/zinc/26/87/18/1031268718.db2.gz GYZNYJWQTBOHSY-UHFFFAOYSA-N 1 2 330.391 3.939 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000483653182 1031274388 /nfs/dbraw/zinc/27/43/88/1031274388.db2.gz NLNBSUNSMXLGTH-FQEVSTJZSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000483653182 1031274401 /nfs/dbraw/zinc/27/44/01/1031274401.db2.gz NLNBSUNSMXLGTH-FQEVSTJZSA-N 1 2 341.451 3.851 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175141539 1031277978 /nfs/dbraw/zinc/27/79/78/1031277978.db2.gz KHIGEZLHYKKHLC-GOSISDBHSA-N 1 2 341.455 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175141539 1031277999 /nfs/dbraw/zinc/27/79/99/1031277999.db2.gz KHIGEZLHYKKHLC-GOSISDBHSA-N 1 2 341.455 3.508 20 0 EHADLO COC(=O)[C@H]1Cc2cccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2C1 ZINC001213091882 1031278995 /nfs/dbraw/zinc/27/89/95/1031278995.db2.gz PTRLFIFDYMOUAN-HNNXBMFYSA-N 1 2 333.391 3.708 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C(F)F)c1 ZINC000583973182 1031281372 /nfs/dbraw/zinc/28/13/72/1031281372.db2.gz OYCWABJIKDQOTM-RHSMWYFYSA-N 1 2 335.398 3.650 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448590563 1031289475 /nfs/dbraw/zinc/28/94/75/1031289475.db2.gz CYWSKUHSFCGMNG-PKOBYXMFSA-N 1 2 330.472 3.674 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000175304245 1031293100 /nfs/dbraw/zinc/29/31/00/1031293100.db2.gz MXPMEQSTBXORJM-HZPDHXFCSA-N 1 2 344.503 3.659 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000116723895 1031321065 /nfs/dbraw/zinc/32/10/65/1031321065.db2.gz AFMHGGYUNNWNJK-OXQOHEQNSA-N 1 2 339.483 3.708 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000668269225 1031351977 /nfs/dbraw/zinc/35/19/77/1031351977.db2.gz GQIYACMRFLXPAV-WMZOPIPTSA-N 1 2 342.483 3.989 20 0 EHADLO CC(C)[C@H](C)NC(=O)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527873417 1031359180 /nfs/dbraw/zinc/35/91/80/1031359180.db2.gz ZLHYVXINAUSUMV-HNNXBMFYSA-N 1 2 325.456 3.612 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000448680795 1031415153 /nfs/dbraw/zinc/41/51/53/1031415153.db2.gz LXKDCPHJQHKZFJ-GPMSIDNRSA-N 1 2 325.456 3.620 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000527926439 1031420007 /nfs/dbraw/zinc/42/00/07/1031420007.db2.gz ZWWHPCJVMSOPDY-SNVBAGLBSA-N 1 2 349.232 3.658 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000448659040 1031424661 /nfs/dbraw/zinc/42/46/61/1031424661.db2.gz DOBKWXSIZNXFHB-GPMSIDNRSA-N 1 2 325.456 3.620 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448662112 1031426755 /nfs/dbraw/zinc/42/67/55/1031426755.db2.gz YZRNPKZDXHWZEU-OAHLLOKOSA-N 1 2 339.361 3.526 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177033999 1031477959 /nfs/dbraw/zinc/47/79/59/1031477959.db2.gz USUXLKAEENHOGV-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177033999 1031477973 /nfs/dbraw/zinc/47/79/73/1031477973.db2.gz USUXLKAEENHOGV-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCOc2c(Cl)cccc21)n1cc[nH+]c1 ZINC000635414013 1031479945 /nfs/dbraw/zinc/47/99/45/1031479945.db2.gz XZSSRSSRHKAURD-JKSUJKDBSA-N 1 2 347.846 3.764 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2cscc2s1 ZINC000527974245 1031507212 /nfs/dbraw/zinc/50/72/12/1031507212.db2.gz SSNLDEGULVVVNU-UHFFFAOYSA-N 1 2 343.477 3.757 20 0 EHADLO CC(C)c1ncsc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000455898312 1031511196 /nfs/dbraw/zinc/51/11/96/1031511196.db2.gz PDPHMJHRFZJCPJ-UHFFFAOYSA-N 1 2 345.472 3.583 20 0 EHADLO CC(C)(C)c1nsc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000158660635 1031528680 /nfs/dbraw/zinc/52/86/80/1031528680.db2.gz LXZLCSHXMCORCG-UHFFFAOYSA-N 1 2 331.420 3.773 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000477441395 1031550319 /nfs/dbraw/zinc/55/03/19/1031550319.db2.gz VDARVVAZRKLJKZ-KKSFZXQISA-N 1 2 345.446 3.985 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527986459 1031602379 /nfs/dbraw/zinc/60/23/79/1031602379.db2.gz MAVJMWDIOGLWFQ-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO CCCc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904030197 1031636264 /nfs/dbraw/zinc/63/62/64/1031636264.db2.gz UYPFEELMZGZLFV-DOTOQJQBSA-N 1 2 327.428 3.615 20 0 EHADLO CCCc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904030197 1031636278 /nfs/dbraw/zinc/63/62/78/1031636278.db2.gz UYPFEELMZGZLFV-DOTOQJQBSA-N 1 2 327.428 3.615 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178158488 1031663022 /nfs/dbraw/zinc/66/30/22/1031663022.db2.gz YYFMIKRKWVHDOI-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC000667016371 1031672012 /nfs/dbraw/zinc/67/20/12/1031672012.db2.gz NQVAGGPNDPQNIY-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccccc21 ZINC000278618160 1031673256 /nfs/dbraw/zinc/67/32/56/1031673256.db2.gz JVMUZAJZEKWWDP-HUUCEWRRSA-N 1 2 336.439 3.791 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000084742283 1031683008 /nfs/dbraw/zinc/68/30/08/1031683008.db2.gz XRDQCLXVOGJKQA-ONEGZZNKSA-N 1 2 345.446 3.960 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cc(Cl)ccc2o1 ZINC000178364158 1031687104 /nfs/dbraw/zinc/68/71/04/1031687104.db2.gz KENVUVJAPUAMNM-UHFFFAOYSA-N 1 2 325.755 3.664 20 0 EHADLO Cc1ccc(Br)c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000904074968 1031705448 /nfs/dbraw/zinc/70/54/48/1031705448.db2.gz VATAYGLIVZQCPT-AWEZNQCLSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(Br)c(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000904074968 1031705454 /nfs/dbraw/zinc/70/54/54/1031705454.db2.gz VATAYGLIVZQCPT-AWEZNQCLSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)n1 ZINC000178668274 1031713916 /nfs/dbraw/zinc/71/39/16/1031713916.db2.gz XUMFDCFUBNNQFU-FQEVSTJZSA-N 1 2 332.451 3.972 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)n1 ZINC000178668274 1031713939 /nfs/dbraw/zinc/71/39/39/1031713939.db2.gz XUMFDCFUBNNQFU-FQEVSTJZSA-N 1 2 332.451 3.972 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccccc3F)n2)cc1 ZINC000178710302 1031717675 /nfs/dbraw/zinc/71/76/75/1031717675.db2.gz ZAOKDIXNKVQMOL-CQSZACIVSA-N 1 2 325.387 3.871 20 0 EHADLO [NH3+][C@H](c1nc(CCc2ccco2)no1)c1ccccc1C(F)(F)F ZINC000904098018 1031723868 /nfs/dbraw/zinc/72/38/68/1031723868.db2.gz MEHITUXOSQUMHB-AWEZNQCLSA-N 1 2 337.301 3.515 20 0 EHADLO Nc1ccc2nc(NCc3cc[nH+]c(N4CCCCC4)c3)sc2c1 ZINC000685267656 1031735256 /nfs/dbraw/zinc/73/52/56/1031735256.db2.gz TVUDXVXTHVDNJY-UHFFFAOYSA-N 1 2 339.468 3.876 20 0 EHADLO C[C@H](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000551913919 1031757663 /nfs/dbraw/zinc/75/76/63/1031757663.db2.gz AAKGEMJHAGPERS-LLVKDONJSA-N 1 2 326.227 3.800 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117593222 1031759036 /nfs/dbraw/zinc/75/90/36/1031759036.db2.gz FUWZSMRZZXQSMS-OAHLLOKOSA-N 1 2 335.407 3.714 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCC34CC4)n2)C1 ZINC000528140411 1031768361 /nfs/dbraw/zinc/76/83/61/1031768361.db2.gz PVFNDNGSKIVPGX-HIFRSBDPSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCC34CC4)n2)C1 ZINC000528140411 1031768382 /nfs/dbraw/zinc/76/83/82/1031768382.db2.gz PVFNDNGSKIVPGX-HIFRSBDPSA-N 1 2 333.501 3.894 20 0 EHADLO COc1ccccc1CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000117620827 1031780247 /nfs/dbraw/zinc/78/02/47/1031780247.db2.gz VQCAUHXUPHIYFP-UHFFFAOYSA-N 1 2 347.418 3.686 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cocn3)no2)cc1 ZINC000528173154 1031876827 /nfs/dbraw/zinc/87/68/27/1031876827.db2.gz RAATXSTUVZNDLD-AWEZNQCLSA-N 1 2 330.775 3.715 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cocn3)no2)cc1 ZINC000528173154 1031876847 /nfs/dbraw/zinc/87/68/47/1031876847.db2.gz RAATXSTUVZNDLD-AWEZNQCLSA-N 1 2 330.775 3.715 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2scnc2C2CCCC2)n1 ZINC000904268940 1031896654 /nfs/dbraw/zinc/89/66/54/1031896654.db2.gz OAKIAWDWRFLDQK-UHFFFAOYSA-N 1 2 327.413 3.803 20 0 EHADLO Cc1nc(C(C)(C)C)sc1-c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271866 1031899576 /nfs/dbraw/zinc/89/95/76/1031899576.db2.gz COTBVXBKNKEINN-UHFFFAOYSA-N 1 2 329.429 3.752 20 0 EHADLO CC[C@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928106 1031902294 /nfs/dbraw/zinc/90/22/94/1031902294.db2.gz KPZQVWBYCLISEE-ZWKOTPCHSA-N 1 2 329.488 3.905 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000180890917 1031921917 /nfs/dbraw/zinc/92/19/17/1031921917.db2.gz FHTMJIOAMUIXQM-UONOGXRCSA-N 1 2 338.411 3.690 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347476224 1031977486 /nfs/dbraw/zinc/97/74/86/1031977486.db2.gz YRJRICFYFZLETI-WBVHZDCISA-N 1 2 343.446 3.534 20 0 EHADLO Cc1nn(-c2ccccc2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000181418847 1032023364 /nfs/dbraw/zinc/02/33/64/1032023364.db2.gz UDJXHPYFTNWEKY-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449016273 1032027702 /nfs/dbraw/zinc/02/77/02/1032027702.db2.gz GWEDDIKUGBKGEO-OXQOHEQNSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449016273 1032027717 /nfs/dbraw/zinc/02/77/17/1032027717.db2.gz GWEDDIKUGBKGEO-OXQOHEQNSA-N 1 2 325.456 3.960 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000181927276 1032042000 /nfs/dbraw/zinc/04/20/00/1032042000.db2.gz GPXZQUNTAUFAPZ-UONOGXRCSA-N 1 2 329.444 3.897 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000449008542 1032050642 /nfs/dbraw/zinc/05/06/42/1032050642.db2.gz QNHSMQYTQAJLIW-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000449008542 1032050658 /nfs/dbraw/zinc/05/06/58/1032050658.db2.gz QNHSMQYTQAJLIW-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000536646041 1032051025 /nfs/dbraw/zinc/05/10/25/1032051025.db2.gz PKXURKBHWDJTAZ-NSHDSACASA-N 1 2 337.769 3.892 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000536646041 1032051045 /nfs/dbraw/zinc/05/10/45/1032051045.db2.gz PKXURKBHWDJTAZ-NSHDSACASA-N 1 2 337.769 3.892 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000449009299 1032051895 /nfs/dbraw/zinc/05/18/95/1032051895.db2.gz UTZLOJGTNOZGSI-KRWDZBQOSA-N 1 2 344.509 3.877 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000449009299 1032051909 /nfs/dbraw/zinc/05/19/09/1032051909.db2.gz UTZLOJGTNOZGSI-KRWDZBQOSA-N 1 2 344.509 3.877 20 0 EHADLO CSCC[C@H](C)N(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603022405 1033313300 /nfs/dbraw/zinc/31/33/00/1033313300.db2.gz QBAYMMNHCRBLEV-ZDUSSCGKSA-N 1 2 346.500 3.906 20 0 EHADLO Oc1ccc(Cl)cc1/C=N/Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063427634 1033318257 /nfs/dbraw/zinc/31/82/57/1033318257.db2.gz CGBWETNANPLZQX-UFFVCSGVSA-N 1 2 329.762 3.990 20 0 EHADLO CC(C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000603047661 1033323285 /nfs/dbraw/zinc/32/32/85/1033323285.db2.gz NAFLNCZWRDVROY-CQSZACIVSA-N 1 2 342.405 3.642 20 0 EHADLO Cn1cc([C@H]2CSCC[N@@H+]2C/C=C\c2ccc(F)c(F)c2)cn1 ZINC000685429259 1033327262 /nfs/dbraw/zinc/32/72/62/1033327262.db2.gz UMPVQQANJGRYQQ-BAHPRDJBSA-N 1 2 335.423 3.502 20 0 EHADLO Cn1cc([C@H]2CSCC[N@H+]2C/C=C\c2ccc(F)c(F)c2)cn1 ZINC000685429259 1033327276 /nfs/dbraw/zinc/32/72/76/1033327276.db2.gz UMPVQQANJGRYQQ-BAHPRDJBSA-N 1 2 335.423 3.502 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001142538317 1033356038 /nfs/dbraw/zinc/35/60/38/1033356038.db2.gz GCTACSPGFVZXHD-HZMBPMFUSA-N 1 2 334.769 3.755 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001142538317 1033356048 /nfs/dbraw/zinc/35/60/48/1033356048.db2.gz GCTACSPGFVZXHD-HZMBPMFUSA-N 1 2 334.769 3.755 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000173484031 1033367679 /nfs/dbraw/zinc/36/76/79/1033367679.db2.gz IUYIXWJTPDIORU-KGLIPLIRSA-N 1 2 340.562 3.875 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000173484031 1033367688 /nfs/dbraw/zinc/36/76/88/1033367688.db2.gz IUYIXWJTPDIORU-KGLIPLIRSA-N 1 2 340.562 3.875 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C)c1ccccc1 ZINC000120101930 1033367972 /nfs/dbraw/zinc/36/79/72/1033367972.db2.gz DCXKXZSNQMETJW-CQSZACIVSA-N 1 2 333.863 3.552 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C)c1ccccc1 ZINC000120101930 1033367983 /nfs/dbraw/zinc/36/79/83/1033367983.db2.gz DCXKXZSNQMETJW-CQSZACIVSA-N 1 2 333.863 3.552 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccccc2C)c1C ZINC000050447853 1033370513 /nfs/dbraw/zinc/37/05/13/1033370513.db2.gz JERUACGFPOMXEB-UHFFFAOYSA-N 1 2 326.440 3.609 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000173536639 1033381134 /nfs/dbraw/zinc/38/11/34/1033381134.db2.gz DNYNDBKJAPKXSR-OAHLLOKOSA-N 1 2 344.550 3.592 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000173536639 1033381146 /nfs/dbraw/zinc/38/11/46/1033381146.db2.gz DNYNDBKJAPKXSR-OAHLLOKOSA-N 1 2 344.550 3.592 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000170652513 1033398313 /nfs/dbraw/zinc/39/83/13/1033398313.db2.gz GDJZNIOQRNBPRL-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000170652513 1033398327 /nfs/dbraw/zinc/39/83/27/1033398327.db2.gz GDJZNIOQRNBPRL-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000594469841 1033408299 /nfs/dbraw/zinc/40/82/99/1033408299.db2.gz DMGQNNVTHAGJEW-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1CCC(c2ccccc2)CC1 ZINC000594524972 1033430956 /nfs/dbraw/zinc/43/09/56/1033430956.db2.gz LHIZCBQFFMKKLB-UHFFFAOYSA-N 1 2 325.456 3.754 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3ccnc(Cl)c3)CC2)c1 ZINC000063517470 1033435216 /nfs/dbraw/zinc/43/52/16/1033435216.db2.gz HVGMITSDWIEISN-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[NH2+]C1CCC2(CC2)CC1 ZINC000594615808 1033479274 /nfs/dbraw/zinc/47/92/74/1033479274.db2.gz QYSUSXOTVNIKPA-QGZVFWFLSA-N 1 2 330.472 3.647 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594677336 1033482582 /nfs/dbraw/zinc/48/25/82/1033482582.db2.gz FPMRXWJFDYFZNE-OAQYLSRUSA-N 1 2 336.766 3.541 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594677335 1033482950 /nfs/dbraw/zinc/48/29/50/1033482950.db2.gz FPMRXWJFDYFZNE-NRFANRHFSA-N 1 2 336.766 3.541 20 0 EHADLO C[C@@]1(c2ccccc2)C[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000608089493 1033485626 /nfs/dbraw/zinc/48/56/26/1033485626.db2.gz VCZCYCUVWJDGOZ-NQIIRXRSSA-N 1 2 341.418 3.958 20 0 EHADLO CCCOc1nc(C(=O)Nc2cccc3[nH+]ccn32)cc2ccccc21 ZINC000460334308 1033501715 /nfs/dbraw/zinc/50/17/15/1033501715.db2.gz KDUVSZMKQCPLGJ-UHFFFAOYSA-N 1 2 346.390 3.924 20 0 EHADLO CCc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608208941 1033544774 /nfs/dbraw/zinc/54/47/74/1033544774.db2.gz ZUISCCIERWBIPJ-LJQANCHMSA-N 1 2 333.435 3.696 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000106241074 1033559591 /nfs/dbraw/zinc/55/95/91/1033559591.db2.gz MIEJLPBYUPCJQW-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000106241082 1033560217 /nfs/dbraw/zinc/56/02/17/1033560217.db2.gz MIEJLPBYUPCJQW-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO CCC(CC)c1cc(CNC(=O)Nc2ccc3[nH+]ccn3c2)on1 ZINC000608313915 1033614480 /nfs/dbraw/zinc/61/44/80/1033614480.db2.gz SYBFWYDDGJQWHN-UHFFFAOYSA-N 1 2 327.388 3.548 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978260 1033626143 /nfs/dbraw/zinc/62/61/43/1033626143.db2.gz LDPUNXADZJGAGW-LBPRGKRZSA-N 1 2 335.473 3.771 20 0 EHADLO COc1ccccc1Nc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001168300943 1033650586 /nfs/dbraw/zinc/65/05/86/1033650586.db2.gz PSRFNIOPNIHEFT-INIZCTEOSA-N 1 2 348.406 3.510 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000529249162 1033654237 /nfs/dbraw/zinc/65/42/37/1033654237.db2.gz BLJNRDWTOMABIJ-UHFFFAOYSA-N 1 2 348.809 3.537 20 0 EHADLO Cc1ccc(CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608386522 1033666319 /nfs/dbraw/zinc/66/63/19/1033666319.db2.gz DVDYPXWYRXXQGI-LJQANCHMSA-N 1 2 348.450 3.512 20 0 EHADLO Cc1ccc(CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608386521 1033666963 /nfs/dbraw/zinc/66/69/63/1033666963.db2.gz DVDYPXWYRXXQGI-IBGZPJMESA-N 1 2 348.450 3.512 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1O ZINC000685650839 1033676361 /nfs/dbraw/zinc/67/63/61/1033676361.db2.gz XPHIUFGSEDIEAF-MRVPVSSYSA-N 1 2 329.293 3.808 20 0 EHADLO COC[C@@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651239 1033680911 /nfs/dbraw/zinc/68/09/11/1033680911.db2.gz SMSZDCIUSPSNRE-RBUKOAKNSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651239 1033680923 /nfs/dbraw/zinc/68/09/23/1033680923.db2.gz SMSZDCIUSPSNRE-RBUKOAKNSA-N 1 2 330.859 3.804 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410665 1033698247 /nfs/dbraw/zinc/69/82/47/1033698247.db2.gz MFJUHDQRTNWENX-YJBOKZPZSA-N 1 2 344.434 3.595 20 0 EHADLO c1cc(CC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc2c1OCC2 ZINC000608492912 1033727906 /nfs/dbraw/zinc/72/79/06/1033727906.db2.gz KDBWPNDGIKCMHU-KRWDZBQOSA-N 1 2 339.439 3.652 20 0 EHADLO c1cc(CC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc2c1OCC2 ZINC000608492912 1033727919 /nfs/dbraw/zinc/72/79/19/1033727919.db2.gz KDBWPNDGIKCMHU-KRWDZBQOSA-N 1 2 339.439 3.652 20 0 EHADLO CC[C@@H](CC(F)F)C[N@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000595312548 1033738016 /nfs/dbraw/zinc/73/80/16/1033738016.db2.gz NFHHEVSYPQBHOP-NSHDSACASA-N 1 2 335.341 3.621 20 0 EHADLO CC[C@@H](CC(F)F)C[N@@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000595312548 1033738030 /nfs/dbraw/zinc/73/80/30/1033738030.db2.gz NFHHEVSYPQBHOP-NSHDSACASA-N 1 2 335.341 3.621 20 0 EHADLO O=C([C@H]1CCCC12CC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529272833 1033748197 /nfs/dbraw/zinc/74/81/97/1033748197.db2.gz PRQCJHDQMIMOTB-DOTOQJQBSA-N 1 2 327.472 3.506 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000450115855 1033767543 /nfs/dbraw/zinc/76/75/43/1033767543.db2.gz QADZBZDQUMEFBO-GSEOLPGOSA-N 1 2 337.467 3.877 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000537586324 1033770044 /nfs/dbraw/zinc/77/00/44/1033770044.db2.gz HVCKNPIDUQOPBK-SFHVURJKSA-N 1 2 346.434 3.677 20 0 EHADLO CC1CC(C(=O)N(C)CCCn2cc[nH+]c2)(c2cccc(Cl)c2)C1 ZINC000450160685 1033828039 /nfs/dbraw/zinc/82/80/39/1033828039.db2.gz NMRKFTXMJHVWQL-UHFFFAOYSA-N 1 2 345.874 3.753 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1Br)[C@H]1CCOC1 ZINC001140712166 1033858694 /nfs/dbraw/zinc/85/86/94/1033858694.db2.gz UHHGJMORCILTHM-NSHDSACASA-N 1 2 338.167 3.689 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1Br)[C@H]1CCOC1 ZINC001140712166 1033858708 /nfs/dbraw/zinc/85/87/08/1033858708.db2.gz UHHGJMORCILTHM-NSHDSACASA-N 1 2 338.167 3.689 20 0 EHADLO CCCCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000608727867 1033867147 /nfs/dbraw/zinc/86/71/47/1033867147.db2.gz VTTXNECZNFCFAZ-SFHVURJKSA-N 1 2 340.471 3.678 20 0 EHADLO CCCN(CC(C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608729754 1033868529 /nfs/dbraw/zinc/86/85/29/1033868529.db2.gz YRSYBCRXQAYNAK-GOSISDBHSA-N 1 2 342.487 3.782 20 0 EHADLO CCN(Cc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944619 1033892760 /nfs/dbraw/zinc/89/27/60/1033892760.db2.gz NYRAVWPSXPXTBN-UHFFFAOYSA-N 1 2 346.862 3.769 20 0 EHADLO C[C@@H](c1c(F)cccc1F)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120543382 1033921550 /nfs/dbraw/zinc/92/15/50/1033921550.db2.gz LDBWOENBOMJXHN-GJZGRUSLSA-N 1 2 331.410 3.800 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808577 1033940455 /nfs/dbraw/zinc/94/04/55/1033940455.db2.gz CIESTABZHVKGQN-HNNXBMFYSA-N 1 2 335.407 3.792 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C1 ZINC000450248019 1033989494 /nfs/dbraw/zinc/98/94/94/1033989494.db2.gz VLQHFZAOYCPCIC-KRWDZBQOSA-N 1 2 347.462 3.867 20 0 EHADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc(C)c1OC(F)F ZINC000603882302 1034005593 /nfs/dbraw/zinc/00/55/93/1034005593.db2.gz PJUJFRPIAFEBPO-UHFFFAOYSA-N 1 2 331.322 3.805 20 0 EHADLO CN(c1ccccc1)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000603885075 1034008967 /nfs/dbraw/zinc/00/89/67/1034008967.db2.gz PFSPZWVGJBDRNH-UHFFFAOYSA-N 1 2 343.390 3.750 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1Cl ZINC000450271566 1034022756 /nfs/dbraw/zinc/02/27/56/1034022756.db2.gz RHUQZIPUILCJAR-OAHLLOKOSA-N 1 2 334.803 3.760 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1Cl ZINC000450271566 1034022773 /nfs/dbraw/zinc/02/27/73/1034022773.db2.gz RHUQZIPUILCJAR-OAHLLOKOSA-N 1 2 334.803 3.760 20 0 EHADLO CCC(=O)N[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450289393 1034030174 /nfs/dbraw/zinc/03/01/74/1034030174.db2.gz BNBLAUBXULPKSZ-LLVKDONJSA-N 1 2 335.810 3.522 20 0 EHADLO COc1cccc(C[N@@H+](Cc2cccnc2Cl)C[C@@H]2CCCO2)c1 ZINC000171079897 1034037834 /nfs/dbraw/zinc/03/78/34/1034037834.db2.gz LGFMBMRMAWWAKL-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2cccnc2Cl)C[C@@H]2CCCO2)c1 ZINC000171079897 1034037844 /nfs/dbraw/zinc/03/78/44/1034037844.db2.gz LGFMBMRMAWWAKL-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450304706 1034057829 /nfs/dbraw/zinc/05/78/29/1034057829.db2.gz SGMBQOJMNQSQBC-MRXNPFEDSA-N 1 2 329.469 3.934 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450304706 1034057843 /nfs/dbraw/zinc/05/78/43/1034057843.db2.gz SGMBQOJMNQSQBC-MRXNPFEDSA-N 1 2 329.469 3.934 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000603944136 1034060566 /nfs/dbraw/zinc/06/05/66/1034060566.db2.gz IAKZTHFVABJDBP-GOSISDBHSA-N 1 2 330.378 3.913 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000603944136 1034060581 /nfs/dbraw/zinc/06/05/81/1034060581.db2.gz IAKZTHFVABJDBP-GOSISDBHSA-N 1 2 330.378 3.913 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000596070943 1034069021 /nfs/dbraw/zinc/06/90/21/1034069021.db2.gz IWQNMQDJXAELTL-NSHDSACASA-N 1 2 336.338 3.572 20 0 EHADLO Cc1ccc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056894332 1034074583 /nfs/dbraw/zinc/07/45/83/1034074583.db2.gz SRVNLNPKZKFQIS-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667066 1034078197 /nfs/dbraw/zinc/07/81/97/1034078197.db2.gz PJJWQPLBTXVQHU-XJKSGUPXSA-N 1 2 336.391 3.661 20 0 EHADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667066 1034078208 /nfs/dbraw/zinc/07/82/08/1034078208.db2.gz PJJWQPLBTXVQHU-XJKSGUPXSA-N 1 2 336.391 3.661 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2csc3ccccc23)C1 ZINC000537611487 1034084567 /nfs/dbraw/zinc/08/45/67/1034084567.db2.gz KYDSTSLCOCTRGK-LBPRGKRZSA-N 1 2 326.425 3.656 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1F ZINC000658227573 1034085669 /nfs/dbraw/zinc/08/56/69/1034085669.db2.gz IGJYNWYVFZPLGT-INIZCTEOSA-N 1 2 342.414 3.722 20 0 EHADLO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1nc(C(F)(F)F)cs1 ZINC000658214062 1034094254 /nfs/dbraw/zinc/09/42/54/1034094254.db2.gz WAHDSHZIRQWBFF-QMMMGPOBSA-N 1 2 330.379 3.624 20 0 EHADLO Cc1ccsc1C[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529518319 1034102315 /nfs/dbraw/zinc/10/23/15/1034102315.db2.gz DCLHUMXERHQVCA-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ccsc1C[N@H+](C)Cc1ncc(Br)cc1F ZINC000529518319 1034102332 /nfs/dbraw/zinc/10/23/32/1034102332.db2.gz DCLHUMXERHQVCA-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000119230592 1034118442 /nfs/dbraw/zinc/11/84/42/1034118442.db2.gz YUESPSGVTFVJBS-ZDUSSCGKSA-N 1 2 332.831 3.775 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000119230592 1034118450 /nfs/dbraw/zinc/11/84/50/1034118450.db2.gz YUESPSGVTFVJBS-ZDUSSCGKSA-N 1 2 332.831 3.775 20 0 EHADLO COc1cccc(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)c1 ZINC000450323725 1034132512 /nfs/dbraw/zinc/13/25/12/1034132512.db2.gz JYBOYJWKOPGKKZ-UHFFFAOYSA-N 1 2 329.469 3.804 20 0 EHADLO C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@H]1C(=O)OC(C)(C)C ZINC000596284606 1034141510 /nfs/dbraw/zinc/14/15/10/1034141510.db2.gz BCVPCUYJOPLJIM-CZUORRHYSA-N 1 2 341.455 3.621 20 0 EHADLO Brc1csc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC001137780278 1034148293 /nfs/dbraw/zinc/14/82/93/1034148293.db2.gz ZEGIWWCCFJFRAW-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1csc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC001137780278 1034148300 /nfs/dbraw/zinc/14/83/00/1034148300.db2.gz ZEGIWWCCFJFRAW-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO COc1ccc([C@@H](CNCc2ccc(F)cn2)[NH+]2CCCCC2)cc1 ZINC000529536149 1034163409 /nfs/dbraw/zinc/16/34/09/1034163409.db2.gz KYWOEJULLBXIPX-HXUWFJFHSA-N 1 2 343.446 3.546 20 0 EHADLO CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000057530463 1034177725 /nfs/dbraw/zinc/17/77/25/1034177725.db2.gz VVOHEJWVFBLUPX-UHFFFAOYSA-N 1 2 334.464 3.894 20 0 EHADLO Cc1nc(C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000120859492 1034192206 /nfs/dbraw/zinc/19/22/06/1034192206.db2.gz GWYBKFDRYSXJNZ-SFHVURJKSA-N 1 2 332.469 3.641 20 0 EHADLO Cc1nc(C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000120859492 1034192215 /nfs/dbraw/zinc/19/22/15/1034192215.db2.gz GWYBKFDRYSXJNZ-SFHVURJKSA-N 1 2 332.469 3.641 20 0 EHADLO O=C(NCCCCc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000612128409 1034196390 /nfs/dbraw/zinc/19/63/90/1034196390.db2.gz BBMXAUARRHGGMG-UHFFFAOYSA-N 1 2 333.435 3.684 20 0 EHADLO c1c(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)nnn1CC1CC1 ZINC000450386211 1034246221 /nfs/dbraw/zinc/24/62/21/1034246221.db2.gz DSOWGZLLMJQNSQ-JOCHJYFZSA-N 1 2 344.462 3.836 20 0 EHADLO c1c(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)nnn1CC1CC1 ZINC000450386211 1034246242 /nfs/dbraw/zinc/24/62/42/1034246242.db2.gz DSOWGZLLMJQNSQ-JOCHJYFZSA-N 1 2 344.462 3.836 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000537623593 1034258815 /nfs/dbraw/zinc/25/88/15/1034258815.db2.gz KNZWVNDVHNSXMT-LBPRGKRZSA-N 1 2 327.268 3.945 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000537623593 1034258829 /nfs/dbraw/zinc/25/88/29/1034258829.db2.gz KNZWVNDVHNSXMT-LBPRGKRZSA-N 1 2 327.268 3.945 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2C1 ZINC000120947263 1034269716 /nfs/dbraw/zinc/26/97/16/1034269716.db2.gz YRIFYYDCGDRMHD-CZUORRHYSA-N 1 2 342.464 3.561 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2ccsc2C(F)(F)F)C1 ZINC000529605163 1034282335 /nfs/dbraw/zinc/28/23/35/1034282335.db2.gz BPIBGQLPCKUHOJ-UHFFFAOYSA-N 1 2 327.371 3.513 20 0 EHADLO Cc1nn(C)c(C)c1CCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450424058 1034287164 /nfs/dbraw/zinc/28/71/64/1034287164.db2.gz QDPFMEXFNVTIKM-UHFFFAOYSA-N 1 2 334.427 3.506 20 0 EHADLO CCC(=O)CCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000450427417 1034291491 /nfs/dbraw/zinc/29/14/91/1034291491.db2.gz YTTUYWQWMHLLGB-UHFFFAOYSA-N 1 2 333.432 3.658 20 0 EHADLO Clc1ccccc1[C@@H](CNCc1nccn1C1CC1)[NH+]1CCCC1 ZINC000892437104 1034292259 /nfs/dbraw/zinc/29/22/59/1034292259.db2.gz AITLZBLYKZAYMD-GOSISDBHSA-N 1 2 344.890 3.798 20 0 EHADLO Cc1ccc(C2CCN(c3nc(N(C)C)c4ccccc4[nH+]3)CC2)cn1 ZINC000450438351 1034328136 /nfs/dbraw/zinc/32/81/36/1034328136.db2.gz MJFNFIFEXBKTDB-UHFFFAOYSA-N 1 2 347.466 3.783 20 0 EHADLO CCC(C)(C)OC1C[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000529640200 1034328343 /nfs/dbraw/zinc/32/83/43/1034328343.db2.gz ILOWBMSUEBWNPQ-UHFFFAOYSA-N 1 2 327.428 3.658 20 0 EHADLO CC(=O)c1nc(N2CCC(CCCn3cc[nH+]c3)CC2)sc1C ZINC000450443691 1034338328 /nfs/dbraw/zinc/33/83/28/1034338328.db2.gz VRUJNRUQQDEUDQ-UHFFFAOYSA-N 1 2 332.473 3.547 20 0 EHADLO Cc1cc(NC(=O)c2cnc(-c3ccccc3F)s2)c(C)c[nH+]1 ZINC000534300259 1034357730 /nfs/dbraw/zinc/35/77/30/1034357730.db2.gz VFCWBLNZBMQIPI-UHFFFAOYSA-N 1 2 327.384 3.635 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c(C)c[nH+]1 ZINC000534299523 1034358414 /nfs/dbraw/zinc/35/84/14/1034358414.db2.gz JPLMTDRHEFYLRS-HUUCEWRRSA-N 1 2 345.240 3.625 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121051960 1034367622 /nfs/dbraw/zinc/36/76/22/1034367622.db2.gz FYLREQFQBPSHBJ-HOTGVXAUSA-N 1 2 333.476 3.897 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121051960 1034367635 /nfs/dbraw/zinc/36/76/35/1034367635.db2.gz FYLREQFQBPSHBJ-HOTGVXAUSA-N 1 2 333.476 3.897 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ccncc1 ZINC000121071805 1034371481 /nfs/dbraw/zinc/37/14/81/1034371481.db2.gz ODGQBSIVVVQRTD-ZDUSSCGKSA-N 1 2 332.473 3.601 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000121071805 1034371496 /nfs/dbraw/zinc/37/14/96/1034371496.db2.gz ODGQBSIVVVQRTD-ZDUSSCGKSA-N 1 2 332.473 3.601 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](Cc2ccccc2)OC)n1 ZINC000450502306 1034433563 /nfs/dbraw/zinc/43/35/63/1034433563.db2.gz SDEPSLSNSFQXFH-GDBMZVCRSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](Cc2ccccc2)OC)n1 ZINC000450502306 1034433571 /nfs/dbraw/zinc/43/35/71/1034433571.db2.gz SDEPSLSNSFQXFH-GDBMZVCRSA-N 1 2 349.500 3.573 20 0 EHADLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC000636008102 1034436954 /nfs/dbraw/zinc/43/69/54/1034436954.db2.gz DKPLPYHIBCFNJZ-XJFOESAGSA-N 1 2 331.382 3.708 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000604663241 1034447416 /nfs/dbraw/zinc/44/74/16/1034447416.db2.gz RHSUSGMNUVREIF-WMZOPIPTSA-N 1 2 332.492 3.979 20 0 EHADLO Cc1nn2c(C[NH2+][C@@H](C)c3ncccc3F)c(C(C)C)nc2s1 ZINC000529688835 1034460807 /nfs/dbraw/zinc/46/08/07/1034460807.db2.gz LLWSJGBWHWZKHD-JTQLQIEISA-N 1 2 333.436 3.608 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394142 1034470121 /nfs/dbraw/zinc/47/01/21/1034470121.db2.gz UIPRTLQHCMKAHQ-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394142 1034470127 /nfs/dbraw/zinc/47/01/27/1034470127.db2.gz UIPRTLQHCMKAHQ-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394140 1034470665 /nfs/dbraw/zinc/47/06/65/1034470665.db2.gz UIPRTLQHCMKAHQ-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394140 1034470672 /nfs/dbraw/zinc/47/06/72/1034470672.db2.gz UIPRTLQHCMKAHQ-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CCc1ccc2c(C[N@@H+]3CCO[C@H](c4ccco4)C3)cc(=O)oc2c1 ZINC000121154993 1034479065 /nfs/dbraw/zinc/47/90/65/1034479065.db2.gz UALTVWXHEGPBNL-IBGZPJMESA-N 1 2 339.391 3.522 20 0 EHADLO CCc1ccc2c(C[N@H+]3CCO[C@H](c4ccco4)C3)cc(=O)oc2c1 ZINC000121154993 1034479072 /nfs/dbraw/zinc/47/90/72/1034479072.db2.gz UALTVWXHEGPBNL-IBGZPJMESA-N 1 2 339.391 3.522 20 0 EHADLO Cc1ccc(-c2nc(CCNc3cc(C)[nH+]c(C4CC4)n3)co2)cc1 ZINC000604757058 1034500119 /nfs/dbraw/zinc/50/01/19/1034500119.db2.gz ZNWRWGZHAPAHGG-UHFFFAOYSA-N 1 2 334.423 3.702 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023666482 1034500375 /nfs/dbraw/zinc/50/03/75/1034500375.db2.gz ZWBAEUYNEZXKGA-CYBMUJFWSA-N 1 2 348.393 3.913 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023666482 1034500391 /nfs/dbraw/zinc/50/03/91/1034500391.db2.gz ZWBAEUYNEZXKGA-CYBMUJFWSA-N 1 2 348.393 3.913 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000450558721 1034519768 /nfs/dbraw/zinc/51/97/68/1034519768.db2.gz JLFLAYLUTJBWHB-HXUWFJFHSA-N 1 2 335.455 3.576 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000450558721 1034519772 /nfs/dbraw/zinc/51/97/72/1034519772.db2.gz JLFLAYLUTJBWHB-HXUWFJFHSA-N 1 2 335.455 3.576 20 0 EHADLO O=C(c1ccncc1Oc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000669599378 1034533643 /nfs/dbraw/zinc/53/36/43/1034533643.db2.gz MSBQVEPMEUNCIG-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121251967 1034598174 /nfs/dbraw/zinc/59/81/74/1034598174.db2.gz VFKGKTXATPURMU-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121251967 1034598182 /nfs/dbraw/zinc/59/81/82/1034598182.db2.gz VFKGKTXATPURMU-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(Cl)n2)CC1 ZINC000060478470 1034601931 /nfs/dbraw/zinc/60/19/31/1034601931.db2.gz OMZMKIPJWCEULK-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121261343 1034607758 /nfs/dbraw/zinc/60/77/58/1034607758.db2.gz BMITXNUIYIAHHU-KXBFYZLASA-N 1 2 340.423 3.552 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000605047708 1034613069 /nfs/dbraw/zinc/61/30/69/1034613069.db2.gz XQYZWFJJSIMIHW-SFHVURJKSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)(CC(=O)Nc1ccc2[nH+]ccn2c1)CC(=O)c1ccccc1 ZINC000669604048 1034640352 /nfs/dbraw/zinc/64/03/52/1034640352.db2.gz BJLLSQVMVUPTPY-UHFFFAOYSA-N 1 2 335.407 3.962 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525346 1034644441 /nfs/dbraw/zinc/64/44/41/1034644441.db2.gz MTSXADCBCXCWLX-LJQANCHMSA-N 1 2 342.508 3.661 20 0 EHADLO CC[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCCC1 ZINC000456671439 1034646898 /nfs/dbraw/zinc/64/68/98/1034646898.db2.gz XQIDOUHTOQLCIV-OAHLLOKOSA-N 1 2 335.398 3.708 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546497 1034656486 /nfs/dbraw/zinc/65/64/86/1034656486.db2.gz PMHYASYZTSYBNG-CYBMUJFWSA-N 1 2 330.394 3.576 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546497 1034656490 /nfs/dbraw/zinc/65/64/90/1034656490.db2.gz PMHYASYZTSYBNG-CYBMUJFWSA-N 1 2 330.394 3.576 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cc(F)ccc1F ZINC000450684926 1034685023 /nfs/dbraw/zinc/68/50/23/1034685023.db2.gz VYEGMYIAQMZCRV-AWEZNQCLSA-N 1 2 333.304 3.965 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000450702699 1034714716 /nfs/dbraw/zinc/71/47/16/1034714716.db2.gz AYRLYLUAOVWYMY-BOLDSZDNSA-N 1 2 328.437 3.608 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000450702699 1034714732 /nfs/dbraw/zinc/71/47/32/1034714732.db2.gz AYRLYLUAOVWYMY-BOLDSZDNSA-N 1 2 328.437 3.608 20 0 EHADLO FCC1(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CCOCC1 ZINC000450732159 1034737165 /nfs/dbraw/zinc/73/71/65/1034737165.db2.gz DWAGBFZOEVVFCG-UHFFFAOYSA-N 1 2 342.336 3.854 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc2occc2s1 ZINC000605458130 1034743332 /nfs/dbraw/zinc/74/33/32/1034743332.db2.gz YZTSNGOJQKOCBR-UHFFFAOYSA-N 1 2 341.436 3.810 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278790497 1034757474 /nfs/dbraw/zinc/75/74/74/1034757474.db2.gz VULFUPBWZOJHSH-QJPTWQEYSA-N 1 2 335.860 3.634 20 0 EHADLO Cc1cc(C)c(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c[nH+]1 ZINC000456836028 1034779983 /nfs/dbraw/zinc/77/99/83/1034779983.db2.gz AEYBBEOTUFLMDZ-UHFFFAOYSA-N 1 2 332.831 3.826 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2cc(F)ccc2o1 ZINC000172064005 1034794036 /nfs/dbraw/zinc/79/40/36/1034794036.db2.gz PCYFHNBBQBGNEM-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(Br)cc2C)c[nH+]1 ZINC000456862159 1034794092 /nfs/dbraw/zinc/79/40/92/1034794092.db2.gz PNGYNLTYISVRFC-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456870631 1034804232 /nfs/dbraw/zinc/80/42/32/1034804232.db2.gz ZVGPUTJZKSASKD-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C)n1cc[nH+]c1 ZINC000529943873 1034805296 /nfs/dbraw/zinc/80/52/96/1034805296.db2.gz TURVKLFDGLBUIF-RHSMWYFYSA-N 1 2 329.419 3.768 20 0 EHADLO C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000612348445 1034824027 /nfs/dbraw/zinc/82/40/27/1034824027.db2.gz ZBIPZIQKBWQOSF-DSLXNQLJSA-N 1 2 329.488 3.899 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2cc(C)ccc2C)cc1 ZINC000450852187 1034866195 /nfs/dbraw/zinc/86/61/95/1034866195.db2.gz FDGSFMKGNORMNJ-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cc(C)ccc2C)cc1 ZINC000450852187 1034866200 /nfs/dbraw/zinc/86/62/00/1034866200.db2.gz FDGSFMKGNORMNJ-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO O=C(OCc1nc(Cl)ccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172251668 1034867991 /nfs/dbraw/zinc/86/79/91/1034867991.db2.gz GHJJKMPWKDKQDV-UHFFFAOYSA-N 1 2 348.189 3.931 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCCC3)[nH+]cn2)c(F)c1 ZINC000450912183 1034931511 /nfs/dbraw/zinc/93/15/11/1034931511.db2.gz MFJWAHKJPGUPFD-INIZCTEOSA-N 1 2 330.382 3.697 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCCC3)nc[nH+]2)c(F)c1 ZINC000450912183 1034931523 /nfs/dbraw/zinc/93/15/23/1034931523.db2.gz MFJWAHKJPGUPFD-INIZCTEOSA-N 1 2 330.382 3.697 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)cc1C ZINC000450928461 1034954440 /nfs/dbraw/zinc/95/44/40/1034954440.db2.gz GNTGIDKYCZRFHU-UHFFFAOYSA-N 1 2 341.430 3.598 20 0 EHADLO Cc1cc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000375933285 1034958225 /nfs/dbraw/zinc/95/82/25/1034958225.db2.gz QQHIJLDHUSUHDC-FYSMJZIKSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000375933285 1034958231 /nfs/dbraw/zinc/95/82/31/1034958231.db2.gz QQHIJLDHUSUHDC-FYSMJZIKSA-N 1 2 344.480 3.525 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@@H]1c1ccsc1)C2=O ZINC000530097768 1034958893 /nfs/dbraw/zinc/95/88/93/1034958893.db2.gz XTMWQMSDRZBPSV-MRXNPFEDSA-N 1 2 328.437 3.507 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@@H]1c1ccsc1)C2=O ZINC000530097768 1034958897 /nfs/dbraw/zinc/95/88/97/1034958897.db2.gz XTMWQMSDRZBPSV-MRXNPFEDSA-N 1 2 328.437 3.507 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)cc1 ZINC000431657687 1034964825 /nfs/dbraw/zinc/96/48/25/1034964825.db2.gz DGKGVKPIKJAENQ-UHFFFAOYSA-N 1 2 346.515 3.802 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC[C@H](C)C1 ZINC001625883359 1035016741 /nfs/dbraw/zinc/01/67/41/1035016741.db2.gz WZBGMIOHASYTEO-OALUTQOASA-N 1 2 338.536 3.554 20 0 EHADLO CCOc1ccccc1N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000343826480 1035073177 /nfs/dbraw/zinc/07/31/77/1035073177.db2.gz YRRCFIBRCQJUOZ-UHFFFAOYSA-N 1 2 349.434 3.536 20 0 EHADLO Cc1cccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000066006640 1035096240 /nfs/dbraw/zinc/09/62/40/1035096240.db2.gz OUWWVSHGUAAQSL-MRXNPFEDSA-N 1 2 330.501 3.901 20 0 EHADLO Cc1ccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000066006641 1035096790 /nfs/dbraw/zinc/09/67/90/1035096790.db2.gz VIDWUNTXNBBSMF-MRXNPFEDSA-N 1 2 330.501 3.901 20 0 EHADLO Nc1ccc(CNC(=O)Nc2ccc3oc4ccccc4c3c2)c[nH+]1 ZINC000548945570 1035101722 /nfs/dbraw/zinc/10/17/22/1035101722.db2.gz CRWXMRBFTKRVOU-UHFFFAOYSA-N 1 2 332.363 3.715 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1sccc1-c1ccc(F)cc1 ZINC000066048718 1035176287 /nfs/dbraw/zinc/17/62/87/1035176287.db2.gz IPFNMXXTEOZWIB-UHFFFAOYSA-N 1 2 343.427 3.961 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)cc(C)c2C)c(C)c[nH+]1 ZINC000612746511 1035200173 /nfs/dbraw/zinc/20/01/73/1035200173.db2.gz BMTVXFATWVPRFU-UHFFFAOYSA-N 1 2 333.229 3.752 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000511374971 1035203181 /nfs/dbraw/zinc/20/31/81/1035203181.db2.gz CCQYCYCZOLDKBR-KZNAEPCWSA-N 1 2 329.488 3.996 20 0 EHADLO CNC(=O)C[C@H]([NH2+]Cc1ncc(-c2ccccc2C)o1)c1ccccc1 ZINC000570378951 1035227158 /nfs/dbraw/zinc/22/71/58/1035227158.db2.gz LDBWADWOMOCBQT-SFHVURJKSA-N 1 2 349.434 3.617 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000613009687 1035354022 /nfs/dbraw/zinc/35/40/22/1035354022.db2.gz SCMOHDIGCHHCIU-RDJZCZTQSA-N 1 2 345.874 3.973 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000448370977 1035411855 /nfs/dbraw/zinc/41/18/55/1035411855.db2.gz BSYWFRVJUMZRBS-IYOUNJFTSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000448370977 1035411859 /nfs/dbraw/zinc/41/18/59/1035411859.db2.gz BSYWFRVJUMZRBS-IYOUNJFTSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000511435778 1035422182 /nfs/dbraw/zinc/42/21/82/1035422182.db2.gz FYRIBQTVJPUUST-UHFFFAOYSA-N 1 2 349.377 3.916 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)s1 ZINC000414076844 1035448834 /nfs/dbraw/zinc/44/88/34/1035448834.db2.gz QOMBVOYXYOKOQY-CYBMUJFWSA-N 1 2 348.468 3.815 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)s1 ZINC000414079415 1035455615 /nfs/dbraw/zinc/45/56/15/1035455615.db2.gz CDQWCBLOCGJEKZ-GXTWGEPZSA-N 1 2 333.457 3.681 20 0 EHADLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000511456704 1035466125 /nfs/dbraw/zinc/46/61/25/1035466125.db2.gz LYJJAQPTVOERIA-UHFFFAOYSA-N 1 2 341.798 3.517 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177974216 1035476910 /nfs/dbraw/zinc/47/69/10/1035476910.db2.gz IXFQMPYHZZWUQG-LJQANCHMSA-N 1 2 341.455 3.616 20 0 EHADLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc2n(n1)CCC2 ZINC000414099713 1035494021 /nfs/dbraw/zinc/49/40/21/1035494021.db2.gz QQYBEMGMCPIFAA-HNNXBMFYSA-N 1 2 345.450 3.918 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCCC(F)(F)C1 ZINC000492225579 1035513409 /nfs/dbraw/zinc/51/34/09/1035513409.db2.gz JILDGQWUMQFNGN-KKTNHOPESA-N 1 2 331.366 3.580 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]1[C@H]1CCCO1 ZINC000571573483 1035539809 /nfs/dbraw/zinc/53/98/09/1035539809.db2.gz UNLJVEAHMJCGPV-MJGOQNOKSA-N 1 2 339.439 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]1[C@H]1CCCO1 ZINC000571573483 1035539825 /nfs/dbraw/zinc/53/98/25/1035539825.db2.gz UNLJVEAHMJCGPV-MJGOQNOKSA-N 1 2 339.439 3.658 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675018 1035569101 /nfs/dbraw/zinc/56/91/01/1035569101.db2.gz GPLGCNONYBOKCY-WMZOPIPTSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+]Cc2n[nH]cc2Br)c2sccc21 ZINC000571633031 1035574289 /nfs/dbraw/zinc/57/42/89/1035574289.db2.gz PDOICMNEMRDHEK-LDYMZIIASA-N 1 2 326.263 3.962 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+]Cc2n[nH]cc2Br)c2sccc21 ZINC000571633029 1035575784 /nfs/dbraw/zinc/57/57/84/1035575784.db2.gz PDOICMNEMRDHEK-KCJUWKMLSA-N 1 2 326.263 3.962 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2SC)s1 ZINC000414117661 1035584254 /nfs/dbraw/zinc/58/42/54/1035584254.db2.gz SDSKVNBFLOJPDE-NSHDSACASA-N 1 2 336.482 3.811 20 0 EHADLO CCn1c(SCc2ccc(C)[nH+]c2C)nc2ccsc2c1=O ZINC000186581694 1035663279 /nfs/dbraw/zinc/66/32/79/1035663279.db2.gz WVNXXZQCEUKKIE-UHFFFAOYSA-N 1 2 331.466 3.782 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000173924903 1035713628 /nfs/dbraw/zinc/71/36/28/1035713628.db2.gz FWHBSBNHRGRBMK-UHFFFAOYSA-N 1 2 331.375 3.891 20 0 EHADLO CC(C)c1cc(NCc2cc(F)cc3c2OCOC3)nc(C(C)C)[nH+]1 ZINC000534881034 1035743102 /nfs/dbraw/zinc/74/31/02/1035743102.db2.gz XERZRTKYHGYVDD-UHFFFAOYSA-N 1 2 345.418 3.763 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000105081126 1035753843 /nfs/dbraw/zinc/75/38/43/1035753843.db2.gz LCIVXVMHNOCBPE-AWEZNQCLSA-N 1 2 346.862 3.988 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000054388718 1035775333 /nfs/dbraw/zinc/77/53/33/1035775333.db2.gz NVHDGAZUKKIHBE-QGZVFWFLSA-N 1 2 336.464 3.975 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000054388718 1035775355 /nfs/dbraw/zinc/77/53/55/1035775355.db2.gz NVHDGAZUKKIHBE-QGZVFWFLSA-N 1 2 336.464 3.975 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccoc1 ZINC000588169242 1035795875 /nfs/dbraw/zinc/79/58/75/1035795875.db2.gz KGPKZZJFZJBUDF-IBGZPJMESA-N 1 2 332.419 3.754 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccoc1 ZINC000588169242 1035795891 /nfs/dbraw/zinc/79/58/91/1035795891.db2.gz KGPKZZJFZJBUDF-IBGZPJMESA-N 1 2 332.419 3.754 20 0 EHADLO Cc1ccc(C[S@](=O)CC(=O)Nc2cccc(C(C)C)c2)c(C)[nH+]1 ZINC000187230426 1035798975 /nfs/dbraw/zinc/79/89/75/1035798975.db2.gz SGCMXBMYYANBRQ-DEOSSOPVSA-N 1 2 344.480 3.709 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187238614 1035800315 /nfs/dbraw/zinc/80/03/15/1035800315.db2.gz WVZIGHXSPQWPKF-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)c1cc2n(n1)CCC2 ZINC000414153582 1035802908 /nfs/dbraw/zinc/80/29/08/1035802908.db2.gz YHXSIYWWGKPPTF-CYBMUJFWSA-N 1 2 341.846 3.519 20 0 EHADLO CC[NH+]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)CC1 ZINC000588231103 1035828319 /nfs/dbraw/zinc/82/83/19/1035828319.db2.gz HAWDDOMRSXVUHO-UHFFFAOYSA-N 1 2 332.444 3.640 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000541032957 1035926895 /nfs/dbraw/zinc/92/68/95/1035926895.db2.gz FYFPTGWJJOELBO-NVXWUHKLSA-N 1 2 332.463 3.857 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c1 ZINC000572044743 1035957103 /nfs/dbraw/zinc/95/71/03/1035957103.db2.gz IREQPLOSFBBTEE-UHFFFAOYSA-N 1 2 348.410 3.849 20 0 EHADLO C[C@@H]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572049174 1035959275 /nfs/dbraw/zinc/95/92/75/1035959275.db2.gz LRXOLDXTIBJLLD-IXDOHACOSA-N 1 2 344.503 3.545 20 0 EHADLO CCc1cc(N(Cc2ccccc2OC)C[C@@H]2CCCO2)nc(C)[nH+]1 ZINC000541091007 1035975564 /nfs/dbraw/zinc/97/55/64/1035975564.db2.gz RQOVPLPFIFJOTK-SFHVURJKSA-N 1 2 341.455 3.542 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000755929906 1035994665 /nfs/dbraw/zinc/99/46/65/1035994665.db2.gz DCNUCMKWTLINDW-SFHVURJKSA-N 1 2 330.501 3.790 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000755929906 1035994677 /nfs/dbraw/zinc/99/46/77/1035994677.db2.gz DCNUCMKWTLINDW-SFHVURJKSA-N 1 2 330.501 3.790 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000463966086 1036011378 /nfs/dbraw/zinc/01/13/78/1036011378.db2.gz SGJORMYXHAZFHR-NEWSRXKRSA-N 1 2 340.471 3.558 20 0 EHADLO CC(C)(CC(F)F)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000572252316 1036032487 /nfs/dbraw/zinc/03/24/87/1036032487.db2.gz ZSPPZGRMHXXHDJ-JOCQHMNTSA-N 1 2 325.403 3.602 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000541204207 1036076745 /nfs/dbraw/zinc/07/67/45/1036076745.db2.gz GBTFYPNWHQJUCP-IUODEOHRSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000541204207 1036076763 /nfs/dbraw/zinc/07/67/63/1036076763.db2.gz GBTFYPNWHQJUCP-IUODEOHRSA-N 1 2 327.346 3.651 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000492613032 1036083025 /nfs/dbraw/zinc/08/30/25/1036083025.db2.gz BXWUKXFVNLWKED-QIBOZCLASA-N 1 2 331.419 3.982 20 0 EHADLO CCN(CC)[C@H](C[NH2+]Cc1nnc(C2CC2)s1)c1ccsc1 ZINC000892563351 1036107968 /nfs/dbraw/zinc/10/79/68/1036107968.db2.gz DBAWSIFNAKDNCF-CQSZACIVSA-N 1 2 336.530 3.650 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1[C@H]2CCCCCC[C@H]12 ZINC000666198810 1036119422 /nfs/dbraw/zinc/11/94/22/1036119422.db2.gz PEMYXRDMQVAYGT-OALUTQOASA-N 1 2 337.467 3.764 20 0 EHADLO Cc1ncsc1/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000492715869 1036205838 /nfs/dbraw/zinc/20/58/38/1036205838.db2.gz LPZIDDWLCHNMPI-PLNGDYQASA-N 1 2 344.827 3.943 20 0 EHADLO FC(F)(F)c1csc(CN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000535263775 1036254251 /nfs/dbraw/zinc/25/42/51/1036254251.db2.gz BLRKEGFOXQQPHC-UHFFFAOYSA-N 1 2 347.431 3.541 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000457547090 1036272312 /nfs/dbraw/zinc/27/23/12/1036272312.db2.gz ZXRQEWDTCWYXGP-UONOGXRCSA-N 1 2 340.414 3.700 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191191003 1036343558 /nfs/dbraw/zinc/34/35/58/1036343558.db2.gz FVQVDDWCFHZAID-SFHVURJKSA-N 1 2 328.460 3.769 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191191003 1036343570 /nfs/dbraw/zinc/34/35/70/1036343570.db2.gz FVQVDDWCFHZAID-SFHVURJKSA-N 1 2 328.460 3.769 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000191396428 1036376858 /nfs/dbraw/zinc/37/68/58/1036376858.db2.gz GMVFQLJIJLJHOJ-IBGZPJMESA-N 1 2 343.446 3.559 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000191396428 1036376879 /nfs/dbraw/zinc/37/68/79/1036376879.db2.gz GMVFQLJIJLJHOJ-IBGZPJMESA-N 1 2 343.446 3.559 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000191452346 1036384540 /nfs/dbraw/zinc/38/45/40/1036384540.db2.gz GLITYYUTXOEDHA-MRXNPFEDSA-N 1 2 346.452 3.536 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000191452346 1036384558 /nfs/dbraw/zinc/38/45/58/1036384558.db2.gz GLITYYUTXOEDHA-MRXNPFEDSA-N 1 2 346.452 3.536 20 0 EHADLO COC(=O)CC[C@H]([NH2+][C@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925380161 1036388235 /nfs/dbraw/zinc/38/82/35/1036388235.db2.gz RZFYCSKNIWKBJY-HOTGVXAUSA-N 1 2 328.412 3.645 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(O)c3)CCO2)cc1 ZINC000191666316 1036402694 /nfs/dbraw/zinc/40/26/94/1036402694.db2.gz GGZOBKROVOIPPW-FQEVSTJZSA-N 1 2 327.424 3.537 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(O)c3)CCO2)cc1 ZINC000191666316 1036402709 /nfs/dbraw/zinc/40/27/09/1036402709.db2.gz GGZOBKROVOIPPW-FQEVSTJZSA-N 1 2 327.424 3.537 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(C)cc1 ZINC000492973929 1036480957 /nfs/dbraw/zinc/48/09/57/1036480957.db2.gz PIRCWEKTTYVKLR-QXMHVHEDSA-N 1 2 325.456 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2Cl)CC[C@@H]1F ZINC001233053690 1036488551 /nfs/dbraw/zinc/48/85/51/1036488551.db2.gz QUUXCLWWNDZYTK-ONGXEEELSA-N 1 2 331.762 3.629 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccsc2Cl)CC[C@@H]1F ZINC001233053690 1036488559 /nfs/dbraw/zinc/48/85/59/1036488559.db2.gz QUUXCLWWNDZYTK-ONGXEEELSA-N 1 2 331.762 3.629 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC000192246252 1036509457 /nfs/dbraw/zinc/50/94/57/1036509457.db2.gz IBVRZBFGSBTIBE-QGZVFWFLSA-N 1 2 327.472 3.563 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1cccc(F)c1 ZINC001168392279 1036516347 /nfs/dbraw/zinc/51/63/47/1036516347.db2.gz GDYYKTSGSIOCTO-MRXNPFEDSA-N 1 2 328.412 3.772 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000493012013 1036520604 /nfs/dbraw/zinc/52/06/04/1036520604.db2.gz CRFZFQRGXFAPRC-DJTUGOFGSA-N 1 2 349.406 3.700 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnc2ccccc2n1)c1cccc(Cl)c1 ZINC001126665640 1036543390 /nfs/dbraw/zinc/54/33/90/1036543390.db2.gz CHZXBDFUTCMJPN-QGZVFWFLSA-N 1 2 340.814 3.525 20 0 EHADLO c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]Cc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000414305531 1036556973 /nfs/dbraw/zinc/55/69/73/1036556973.db2.gz NMGMTGPHSFLXIY-MJGOQNOKSA-N 1 2 347.466 3.758 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)c3cccnc23)o1 ZINC000541690747 1036562386 /nfs/dbraw/zinc/56/23/86/1036562386.db2.gz SNKSGBQZDUCUHN-SECBINFHSA-N 1 2 347.216 3.540 20 0 EHADLO CCC1(CC)C[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CCS1 ZINC000464574655 1036562841 /nfs/dbraw/zinc/56/28/41/1036562841.db2.gz LFCGAAICEJFZMF-UHFFFAOYSA-N 1 2 339.505 3.518 20 0 EHADLO CCC1(CC)C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CCS1 ZINC000464574655 1036562853 /nfs/dbraw/zinc/56/28/53/1036562853.db2.gz LFCGAAICEJFZMF-UHFFFAOYSA-N 1 2 339.505 3.518 20 0 EHADLO CC(C)n1cc(CNc2[nH+]c3cc(Cl)c(Cl)cc3n2C)cn1 ZINC000414304619 1036570246 /nfs/dbraw/zinc/57/02/46/1036570246.db2.gz OZZJTQXJBKGOGG-UHFFFAOYSA-N 1 2 338.242 3.692 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771523 1036641142 /nfs/dbraw/zinc/64/11/42/1036641142.db2.gz LGCKJDYJLUTGOG-AAEUAGOBSA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771523 1036641152 /nfs/dbraw/zinc/64/11/52/1036641152.db2.gz LGCKJDYJLUTGOG-AAEUAGOBSA-N 1 2 335.341 3.766 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000589958026 1036679317 /nfs/dbraw/zinc/67/93/17/1036679317.db2.gz ZXMVPEVCMBIJEI-MRXNPFEDSA-N 1 2 335.407 3.591 20 0 EHADLO c1c2c(cc3c1OCCC[C@H]3[NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000414324690 1036687132 /nfs/dbraw/zinc/68/71/32/1036687132.db2.gz KYGKWDZQEAZMTO-MRXNPFEDSA-N 1 2 341.480 3.908 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725719 1036707224 /nfs/dbraw/zinc/70/72/24/1036707224.db2.gz OXUMYORDEIUJGO-BLLLJJGKSA-N 1 2 347.821 3.896 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725719 1036707244 /nfs/dbraw/zinc/70/72/44/1036707244.db2.gz OXUMYORDEIUJGO-BLLLJJGKSA-N 1 2 347.821 3.896 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)no1 ZINC000541873420 1036744624 /nfs/dbraw/zinc/74/46/24/1036744624.db2.gz IFEKJONPWJTERA-KRWDZBQOSA-N 1 2 349.434 3.946 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](COc3ccccc3)C2)no1 ZINC000541873420 1036744641 /nfs/dbraw/zinc/74/46/41/1036744641.db2.gz IFEKJONPWJTERA-KRWDZBQOSA-N 1 2 349.434 3.946 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]Cc3cc(-c4ccccc4)on3)cn2)cc1 ZINC000102939133 1036781262 /nfs/dbraw/zinc/78/12/62/1036781262.db2.gz KIGDLEKTIJXFOO-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000414341402 1036785768 /nfs/dbraw/zinc/78/57/68/1036785768.db2.gz LKBSQJITYUAFQF-NEPJUHHUSA-N 1 2 335.448 3.513 20 0 EHADLO CCCc1nc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000102950748 1036808681 /nfs/dbraw/zinc/80/86/81/1036808681.db2.gz IVVOTQBSAPHJDV-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO CCCc1nc(C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000102950748 1036808692 /nfs/dbraw/zinc/80/86/92/1036808692.db2.gz IVVOTQBSAPHJDV-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCC1(c2ccccc2Cl)CCCCC1 ZINC000504347069 1036863427 /nfs/dbraw/zinc/86/34/27/1036863427.db2.gz FWBARHCZTPABJG-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830387 1036867754 /nfs/dbraw/zinc/86/77/54/1036867754.db2.gz ACXDIXCQTCMSET-YOEHRIQHSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830387 1036867767 /nfs/dbraw/zinc/86/77/67/1036867767.db2.gz ACXDIXCQTCMSET-YOEHRIQHSA-N 1 2 346.496 3.993 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(CC)CCCC3)CC2)cc1 ZINC000464854496 1036871990 /nfs/dbraw/zinc/87/19/90/1036871990.db2.gz FVMYQCHLSHQVRS-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc[nH]1 ZINC000760782306 1036927329 /nfs/dbraw/zinc/92/73/29/1036927329.db2.gz NIECULTUGDZBCN-CQSZACIVSA-N 1 2 347.422 3.813 20 0 EHADLO CCc1ccc(CN(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000177785293 1036934812 /nfs/dbraw/zinc/93/48/12/1036934812.db2.gz BWJLWZDOOGZNQJ-UHFFFAOYSA-N 1 2 348.450 3.771 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000541982518 1036944605 /nfs/dbraw/zinc/94/46/05/1036944605.db2.gz DUMXGWVIHCSBPF-KRWDZBQOSA-N 1 2 326.371 3.612 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([S@](C)=O)cc1 ZINC000090228960 1036961899 /nfs/dbraw/zinc/96/18/99/1036961899.db2.gz VJNQSKIUMIZYBW-YGWIHHTISA-N 1 2 345.361 3.831 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000666405087 1036972605 /nfs/dbraw/zinc/97/26/05/1036972605.db2.gz RNSCLZKHAZBTLZ-ZACQAIPSSA-N 1 2 325.456 3.817 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000666405086 1036972978 /nfs/dbraw/zinc/97/29/78/1036972978.db2.gz RNSCLZKHAZBTLZ-BRWVUGGUSA-N 1 2 325.456 3.817 20 0 EHADLO O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000104119143 1036978781 /nfs/dbraw/zinc/97/87/81/1036978781.db2.gz IZRGBLKFOFNAQI-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO C[C@H](Sc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000104131496 1036979770 /nfs/dbraw/zinc/97/97/70/1036979770.db2.gz RRLCNFBPCQDWCP-HNNXBMFYSA-N 1 2 329.469 3.571 20 0 EHADLO CCc1cc(N(CCO)Cc2ccc(Cl)c(Cl)c2)nc(C)[nH+]1 ZINC000542019061 1036988620 /nfs/dbraw/zinc/98/86/20/1036988620.db2.gz DXQCZIDROWGJKJ-UHFFFAOYSA-N 1 2 340.254 3.653 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733384 1037034057 /nfs/dbraw/zinc/03/40/57/1037034057.db2.gz USAZIHXZNOTSLA-DLBZAZTESA-N 1 2 341.455 3.639 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178386041 1037034288 /nfs/dbraw/zinc/03/42/88/1037034288.db2.gz JORZJTZZLCBVDF-UHFFFAOYSA-N 1 2 341.842 3.873 20 0 EHADLO Cn1nc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)c2ccccc21 ZINC000590798011 1037063488 /nfs/dbraw/zinc/06/34/88/1037063488.db2.gz YASNGRKEAQGLGJ-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO CCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000178695216 1037080766 /nfs/dbraw/zinc/08/07/66/1037080766.db2.gz VDDNGEABABELJS-ZWKOTPCHSA-N 1 2 338.455 3.501 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590848179 1037081872 /nfs/dbraw/zinc/08/18/72/1037081872.db2.gz UPRHSHCRJFNDCV-ZWKOTPCHSA-N 1 2 326.444 3.627 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590863085 1037105354 /nfs/dbraw/zinc/10/53/54/1037105354.db2.gz ZZBIUXPVJHVGEZ-SFHVURJKSA-N 1 2 340.471 3.727 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590862849 1037105635 /nfs/dbraw/zinc/10/56/35/1037105635.db2.gz MBXBZTPKCHTURS-QGZVFWFLSA-N 1 2 346.862 3.516 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542182861 1037141993 /nfs/dbraw/zinc/14/19/93/1037141993.db2.gz SLLGCPBAEDTLEJ-UHFFFAOYSA-N 1 2 339.483 3.843 20 0 EHADLO Cc1cccc2c1N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000573005829 1037154944 /nfs/dbraw/zinc/15/49/44/1037154944.db2.gz CZRLHMJUORAQHG-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NC1CC(c2ccccc2)C1 ZINC000105242790 1037161949 /nfs/dbraw/zinc/16/19/49/1037161949.db2.gz QXVBSDHRJWWSQI-UHFFFAOYSA-N 1 2 338.455 3.519 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000351265195 1037173154 /nfs/dbraw/zinc/17/31/54/1037173154.db2.gz WYKPBABLDDVSST-HNNXBMFYSA-N 1 2 340.471 3.521 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539790344 1037199620 /nfs/dbraw/zinc/19/96/20/1037199620.db2.gz PPYABBOLNDTFSB-FQEVSTJZSA-N 1 2 346.434 3.929 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cn2)cc1 ZINC000666554539 1037219513 /nfs/dbraw/zinc/21/95/13/1037219513.db2.gz FKZIKEXIJJLSAO-IAGOWNOFSA-N 1 2 348.406 3.658 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000542254762 1037219797 /nfs/dbraw/zinc/21/97/97/1037219797.db2.gz WIICUKQBFIXEKT-CYBMUJFWSA-N 1 2 342.386 3.863 20 0 EHADLO c1ccc2c(c1)ccnc2CNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001167704293 1037255823 /nfs/dbraw/zinc/25/58/23/1037255823.db2.gz JNOLUEUCEOASOO-UHFFFAOYSA-N 1 2 335.407 3.800 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1nc(-c2ccsc2)no1 ZINC000052711291 1037267802 /nfs/dbraw/zinc/26/78/02/1037267802.db2.gz FSSSYUNRWFPKDT-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nc(-c2ccsc2)no1 ZINC000052711291 1037267816 /nfs/dbraw/zinc/26/78/16/1037267816.db2.gz FSSSYUNRWFPKDT-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395089 1037315226 /nfs/dbraw/zinc/31/52/26/1037315226.db2.gz LWHWWMKEDYFHTM-HIFRSBDPSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395089 1037315245 /nfs/dbraw/zinc/31/52/45/1037315245.db2.gz LWHWWMKEDYFHTM-HIFRSBDPSA-N 1 2 335.494 3.530 20 0 EHADLO CC1(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCCC1 ZINC000573214298 1037358877 /nfs/dbraw/zinc/35/88/77/1037358877.db2.gz MPODLUVNBDDHEQ-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669404795 1037374234 /nfs/dbraw/zinc/37/42/34/1037374234.db2.gz QAEUAYJLIKTIRH-AWEZNQCLSA-N 1 2 330.457 3.782 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000491387967 1037424068 /nfs/dbraw/zinc/42/40/68/1037424068.db2.gz RQLQKLNLFKXADQ-ILVPNPQQSA-N 1 2 325.412 3.546 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000505477760 1037428737 /nfs/dbraw/zinc/42/87/37/1037428737.db2.gz WUMGMYOVNZSBCG-FUHWJXTLSA-N 1 2 344.499 3.775 20 0 EHADLO O=C(Nc1ccc(Cl)c(Cl)n1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000782846994 1037429267 /nfs/dbraw/zinc/42/92/67/1037429267.db2.gz NRGJBTORBSIPCU-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO Fc1cc(C[NH2+]Cc2cnnn2Cc2ccccc2)c(F)cc1Cl ZINC000491377637 1037431449 /nfs/dbraw/zinc/43/14/49/1037431449.db2.gz ZZCGQAFPYBOJEZ-UHFFFAOYSA-N 1 2 348.784 3.548 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1cscn1 ZINC000573339239 1037450976 /nfs/dbraw/zinc/45/09/76/1037450976.db2.gz JTCGAKFQIANQEJ-QWRGUYRKSA-N 1 2 333.848 3.789 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000491419924 1037467087 /nfs/dbraw/zinc/46/70/87/1037467087.db2.gz AAAXWIHXYKIAKE-YVEFUNNKSA-N 1 2 334.822 3.683 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591597213 1037521530 /nfs/dbraw/zinc/52/15/30/1037521530.db2.gz JMZUCOVHHOHZCX-MOPGFXCFSA-N 1 2 338.455 3.771 20 0 EHADLO CCC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccn1 ZINC000591606418 1037525044 /nfs/dbraw/zinc/52/50/44/1037525044.db2.gz YIGJOCAQLRZJLH-KRWDZBQOSA-N 1 2 341.459 3.509 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccccn1 ZINC000491518291 1037535345 /nfs/dbraw/zinc/53/53/45/1037535345.db2.gz BJGZAWDGCDWNNV-WUQYLLKWSA-N 1 2 344.418 3.644 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@@H+](CCOC[C@H]1CCCO1)CC2 ZINC000532529326 1037551526 /nfs/dbraw/zinc/55/15/26/1037551526.db2.gz VLRUEMNNADXQQR-CQSZACIVSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@H+](CCOC[C@H]1CCCO1)CC2 ZINC000532529326 1037551536 /nfs/dbraw/zinc/55/15/36/1037551536.db2.gz VLRUEMNNADXQQR-CQSZACIVSA-N 1 2 330.255 3.547 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000493730828 1037586473 /nfs/dbraw/zinc/58/64/73/1037586473.db2.gz WTZVOHBXRJCCHE-GKXYRXCGSA-N 1 2 348.406 3.695 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)s1 ZINC000172735066 1037624791 /nfs/dbraw/zinc/62/47/91/1037624791.db2.gz FXOGPNAZTNGPOA-UHFFFAOYSA-N 1 2 341.933 3.793 20 0 EHADLO COC(=O)C[C@@H]1CC[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@@H]1C ZINC000463004987 1037634029 /nfs/dbraw/zinc/63/40/29/1037634029.db2.gz BXWFYVPNIWATKI-AZOIQLNYSA-N 1 2 341.455 3.879 20 0 EHADLO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000532559183 1037634704 /nfs/dbraw/zinc/63/47/04/1037634704.db2.gz VSXNICJLVMQMKT-LBPRGKRZSA-N 1 2 325.250 3.570 20 0 EHADLO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000532559183 1037634709 /nfs/dbraw/zinc/63/47/09/1037634709.db2.gz VSXNICJLVMQMKT-LBPRGKRZSA-N 1 2 325.250 3.570 20 0 EHADLO c1cc(-c2cccnc2)n(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000151774562 1037654851 /nfs/dbraw/zinc/65/48/51/1037654851.db2.gz PJHXAIWBEXTARS-LJQANCHMSA-N 1 2 336.464 3.693 20 0 EHADLO c1cc(-c2cccnc2)n(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000151774562 1037654864 /nfs/dbraw/zinc/65/48/64/1037654864.db2.gz PJHXAIWBEXTARS-LJQANCHMSA-N 1 2 336.464 3.693 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000493822990 1037657330 /nfs/dbraw/zinc/65/73/30/1037657330.db2.gz NJYQQPYDYGCLKT-BQYQJAHWSA-N 1 2 329.831 3.558 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(C)[nH+]1 ZINC000573677822 1037662588 /nfs/dbraw/zinc/66/25/88/1037662588.db2.gz FLKRMECQWQPHFZ-AWEZNQCLSA-N 1 2 343.431 3.786 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cnc3ccccc3c2)C2CC2)c(F)c1 ZINC000428804085 1037692127 /nfs/dbraw/zinc/69/21/27/1037692127.db2.gz GQYJABHOAQBSRR-UHFFFAOYSA-N 1 2 349.409 3.637 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cnc3ccccc3c2)C2CC2)c(F)c1 ZINC000428804085 1037692138 /nfs/dbraw/zinc/69/21/38/1037692138.db2.gz GQYJABHOAQBSRR-UHFFFAOYSA-N 1 2 349.409 3.637 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000463033707 1037695615 /nfs/dbraw/zinc/69/56/15/1037695615.db2.gz KONFJFSYLUJBQH-WBVHZDCISA-N 1 2 332.513 3.924 20 0 EHADLO CC(C)OCc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111738461 1037742774 /nfs/dbraw/zinc/74/27/74/1037742774.db2.gz GQFWDJJAPCJLRH-UHFFFAOYSA-N 1 2 342.443 3.677 20 0 EHADLO CCON(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001626003330 1037744060 /nfs/dbraw/zinc/74/40/60/1037744060.db2.gz RAZVYKAIGQYGRS-UHFFFAOYSA-N 1 2 335.407 3.525 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccn(CCc3ccccc3)n2)c(C)[nH+]1 ZINC000573807033 1037755120 /nfs/dbraw/zinc/75/51/20/1037755120.db2.gz KNKUUEBZNLXXKT-UHFFFAOYSA-N 1 2 334.423 3.698 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000573814827 1037756271 /nfs/dbraw/zinc/75/62/71/1037756271.db2.gz VTLLCCLLOYHMBA-FZKQIMNGSA-N 1 2 329.419 3.775 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000573814827 1037756279 /nfs/dbraw/zinc/75/62/79/1037756279.db2.gz VTLLCCLLOYHMBA-FZKQIMNGSA-N 1 2 329.419 3.775 20 0 EHADLO COc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000491290098 1037765288 /nfs/dbraw/zinc/76/52/88/1037765288.db2.gz YULYCSKXJIPHEU-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO COc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000491290098 1037765305 /nfs/dbraw/zinc/76/53/05/1037765305.db2.gz YULYCSKXJIPHEU-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000573859814 1037787903 /nfs/dbraw/zinc/78/79/03/1037787903.db2.gz CVUQQCFQRCILGS-UONOGXRCSA-N 1 2 340.870 3.725 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372071 1037794265 /nfs/dbraw/zinc/79/42/65/1037794265.db2.gz DQSSDFJQMPXQSL-QAPCUYQASA-N 1 2 334.419 3.885 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372071 1037794281 /nfs/dbraw/zinc/79/42/81/1037794281.db2.gz DQSSDFJQMPXQSL-QAPCUYQASA-N 1 2 334.419 3.885 20 0 EHADLO FC(F)(F)c1ccnc(SCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000187855385 1037805415 /nfs/dbraw/zinc/80/54/15/1037805415.db2.gz CAUUMXBDTQRHIE-UHFFFAOYSA-N 1 2 336.342 3.973 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](CC)c2ccc(OC)cc2)cs1 ZINC000540342540 1037847817 /nfs/dbraw/zinc/84/78/17/1037847817.db2.gz GQTAMKAJKOGSCG-OAHLLOKOSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000378079383 1037849614 /nfs/dbraw/zinc/84/96/14/1037849614.db2.gz ZKSUVCPKEZNZTH-QGZVFWFLSA-N 1 2 337.467 3.556 20 0 EHADLO Cc1ccc(Br)c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000152923223 1037874346 /nfs/dbraw/zinc/87/43/46/1037874346.db2.gz ZFXVPSFDKOKEEZ-UHFFFAOYSA-N 1 2 348.244 3.779 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492023583 1037879317 /nfs/dbraw/zinc/87/93/17/1037879317.db2.gz ZHBAXLDUWODNTP-MPHRNGTFSA-N 1 2 349.356 3.685 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(C)(C)c3cc(C(F)(F)F)on3)n2c1 ZINC000492022798 1037880224 /nfs/dbraw/zinc/88/02/24/1037880224.db2.gz JYBCGYOVABLKEQ-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO Cc1ccc2ncc(C[NH2+]C(C)(C)c3cc(C(F)(F)F)on3)n2c1 ZINC000492022798 1037880245 /nfs/dbraw/zinc/88/02/45/1037880245.db2.gz JYBCGYOVABLKEQ-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000119687089 1037907377 /nfs/dbraw/zinc/90/73/77/1037907377.db2.gz SYKGMTZRSIDHDE-RCCFBDPRSA-N 1 2 341.499 3.773 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)N3CCn4c[nH+]cc4C3)c2)c1 ZINC000378113806 1037924302 /nfs/dbraw/zinc/92/43/02/1037924302.db2.gz HPTHDTHPNIGTIR-UHFFFAOYSA-N 1 2 346.434 3.584 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccc(OCc2ccccc2)c1 ZINC000492088029 1037972935 /nfs/dbraw/zinc/97/29/35/1037972935.db2.gz KWPPTZJFHVVBDD-ZHACJKMWSA-N 1 2 347.418 3.627 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1c(F)cccc1Cl ZINC000540477930 1037986613 /nfs/dbraw/zinc/98/66/13/1037986613.db2.gz AFFQETMEIUMKDM-NEPJUHHUSA-N 1 2 338.854 3.919 20 0 EHADLO CCc1cc(OCc2cc(-c3cnn(C)c3)no2)c2ccccc2[nH+]1 ZINC000184442029 1038040514 /nfs/dbraw/zinc/04/05/14/1038040514.db2.gz RITHOXOXTINOQH-UHFFFAOYSA-N 1 2 334.379 3.765 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cccc(Oc2ccncc2)c1 ZINC000651318793 1038094177 /nfs/dbraw/zinc/09/41/77/1038094177.db2.gz MYXWSJZJCQDZLW-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO COc1ccc2oc(C[NH2+]Cc3ccn(-c4ccccc4)n3)cc2c1 ZINC000124467016 1038191582 /nfs/dbraw/zinc/19/15/82/1038191582.db2.gz IIZKOXRJJASHJY-UHFFFAOYSA-N 1 2 333.391 3.917 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCCc2ccccc2)s1 ZINC000106875671 1038237654 /nfs/dbraw/zinc/23/76/54/1038237654.db2.gz NBDFNMWCIPBCQR-OAHLLOKOSA-N 1 2 345.512 3.502 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCCc2ccccc2)s1 ZINC000106875671 1038237665 /nfs/dbraw/zinc/23/76/65/1038237665.db2.gz NBDFNMWCIPBCQR-OAHLLOKOSA-N 1 2 345.512 3.502 20 0 EHADLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000043324539 1038306858 /nfs/dbraw/zinc/30/68/58/1038306858.db2.gz VBOJDWDACVVZRJ-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)COc1cc(Cl)ccc1Cl ZINC000398099690 1038420065 /nfs/dbraw/zinc/42/00/65/1038420065.db2.gz YQJINXLQCJTRMH-GWCFXTLKSA-N 1 2 340.197 3.511 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(C3CC3)no2)c(SC)cc1OC ZINC000659945807 1038458283 /nfs/dbraw/zinc/45/82/83/1038458283.db2.gz DSZUAUPSPCTMGH-UHFFFAOYSA-N 1 2 348.468 3.923 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(C3CC3)no2)c(SC)cc1OC ZINC000659945807 1038458288 /nfs/dbraw/zinc/45/82/88/1038458288.db2.gz DSZUAUPSPCTMGH-UHFFFAOYSA-N 1 2 348.468 3.923 20 0 EHADLO Cc1cc(NC(=O)c2cc(C)c(Br)cc2C)c(C)c[nH+]1 ZINC000538716731 1038488183 /nfs/dbraw/zinc/48/81/83/1038488183.db2.gz OJZADJLWKJASFD-UHFFFAOYSA-N 1 2 333.229 3.752 20 0 EHADLO c1cn2c(cccc2CNc2cccc3c2CN(c2ccccn2)C3)[nH+]1 ZINC000378347957 1038496756 /nfs/dbraw/zinc/49/67/56/1038496756.db2.gz KCEPBQXFDJOMOX-UHFFFAOYSA-N 1 2 341.418 3.862 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3c(Cl)oc4ccccc43)n2)C1 ZINC000351414934 1038517710 /nfs/dbraw/zinc/51/77/10/1038517710.db2.gz YNGGGOJUHKORME-CYBMUJFWSA-N 1 2 347.802 3.918 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3c(Cl)oc4ccccc43)n2)C1 ZINC000351414934 1038517722 /nfs/dbraw/zinc/51/77/22/1038517722.db2.gz YNGGGOJUHKORME-CYBMUJFWSA-N 1 2 347.802 3.918 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000378373569 1038539085 /nfs/dbraw/zinc/53/90/85/1038539085.db2.gz TZZGBDGBQZSYEV-FQEVSTJZSA-N 1 2 348.450 3.662 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000378373569 1038539095 /nfs/dbraw/zinc/53/90/95/1038539095.db2.gz TZZGBDGBQZSYEV-FQEVSTJZSA-N 1 2 348.450 3.662 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000728748216 1038614433 /nfs/dbraw/zinc/61/44/33/1038614433.db2.gz CZEILYCJSAPHDH-RBUKOAKNSA-N 1 2 340.471 3.886 20 0 EHADLO CC1=CC[C@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000667173357 1038621199 /nfs/dbraw/zinc/62/11/99/1038621199.db2.gz FLHMBKOWHGDCQK-IBGZPJMESA-N 1 2 327.403 3.764 20 0 EHADLO CCSCc1ccccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000363842392 1038668672 /nfs/dbraw/zinc/66/86/72/1038668672.db2.gz BXIDLZMPHDSORY-UHFFFAOYSA-N 1 2 343.496 3.745 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)n1 ZINC000648380537 1038669951 /nfs/dbraw/zinc/66/99/51/1038669951.db2.gz LEZRGGJBJXRDFK-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)n1 ZINC000648380537 1038669956 /nfs/dbraw/zinc/66/99/56/1038669956.db2.gz LEZRGGJBJXRDFK-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([S@](C)=O)cc1 ZINC000893247880 1038693435 /nfs/dbraw/zinc/69/34/35/1038693435.db2.gz IOIRTVDTLCZKTE-AUADJRAKSA-N 1 2 348.415 3.750 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccccn2)c1 ZINC000893254829 1038739994 /nfs/dbraw/zinc/73/99/94/1038739994.db2.gz HQBVAFLSQILXRA-FQEVSTJZSA-N 1 2 332.451 3.880 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000539302617 1038773392 /nfs/dbraw/zinc/77/33/92/1038773392.db2.gz BLBHUQGXSQONDG-AWEZNQCLSA-N 1 2 333.505 3.825 20 0 EHADLO Cc1nc(N2CCCC[C@H]2c2noc(C3CC3)n2)c2c([nH+]1)CCCC2 ZINC000378616593 1038774143 /nfs/dbraw/zinc/77/41/43/1038774143.db2.gz CXYJZEJMTPLSNV-INIZCTEOSA-N 1 2 339.443 3.656 20 0 EHADLO CCCc1cnc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000343855468 1038775908 /nfs/dbraw/zinc/77/59/08/1038775908.db2.gz SAPPFIIFTUYHAT-UHFFFAOYSA-N 1 2 326.425 3.593 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000184376173 1038838603 /nfs/dbraw/zinc/83/86/03/1038838603.db2.gz ALHJVDUPJNJSIZ-NNTXTVRGSA-N 1 2 332.494 3.728 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@@H](c3cnn(C)c3)C(C)(C)C)n2)c1 ZINC000539376782 1038868660 /nfs/dbraw/zinc/86/86/60/1038868660.db2.gz KDEJURINVAPROY-KRWDZBQOSA-N 1 2 339.443 3.656 20 0 EHADLO Cc1nc2ccc(C[N@H+]3C[C@@H](C)O[C@](C)(C(F)F)C3)cc2s1 ZINC000668821945 1038873238 /nfs/dbraw/zinc/87/32/38/1038873238.db2.gz ODONPJGKHUMMAL-HWPZZCPQSA-N 1 2 326.412 3.849 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3C[C@@H](C)O[C@](C)(C(F)F)C3)cc2s1 ZINC000668821945 1038873262 /nfs/dbraw/zinc/87/32/62/1038873262.db2.gz ODONPJGKHUMMAL-HWPZZCPQSA-N 1 2 326.412 3.849 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000668821956 1038874624 /nfs/dbraw/zinc/87/46/24/1038874624.db2.gz OEEBDINWZVOPKQ-UGSOOPFHSA-N 1 2 341.446 3.712 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000668821956 1038874642 /nfs/dbraw/zinc/87/46/42/1038874642.db2.gz OEEBDINWZVOPKQ-UGSOOPFHSA-N 1 2 341.446 3.712 20 0 EHADLO Fc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000432721488 1038916525 /nfs/dbraw/zinc/91/65/25/1038916525.db2.gz XHVWYMNSQPGOOI-ZDUSSCGKSA-N 1 2 348.245 3.902 20 0 EHADLO Cc1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1OC(F)F ZINC000552058219 1038923835 /nfs/dbraw/zinc/92/38/35/1038923835.db2.gz CENBRBMNOGAYSW-UHFFFAOYSA-N 1 2 344.365 3.848 20 0 EHADLO c1ccc(COc2cncc(C[N@@H+]3CCOC4(CCCC4)C3)c2)cc1 ZINC000488171547 1038932776 /nfs/dbraw/zinc/93/27/76/1038932776.db2.gz OTWCDRCMJMWELZ-UHFFFAOYSA-N 1 2 338.451 3.806 20 0 EHADLO c1ccc(COc2cncc(C[N@H+]3CCOC4(CCCC4)C3)c2)cc1 ZINC000488171547 1038932793 /nfs/dbraw/zinc/93/27/93/1038932793.db2.gz OTWCDRCMJMWELZ-UHFFFAOYSA-N 1 2 338.451 3.806 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC1(C)C ZINC000416738291 1038962589 /nfs/dbraw/zinc/96/25/89/1038962589.db2.gz QEWRTWROFCUTHP-QZTJIDSGSA-N 1 2 346.519 3.910 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000668831309 1038973488 /nfs/dbraw/zinc/97/34/88/1038973488.db2.gz SUQPUKOGXSLJAL-QZTJIDSGSA-N 1 2 339.439 3.874 20 0 EHADLO Cc1cc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(C)c[nH+]1 ZINC000552114392 1038974311 /nfs/dbraw/zinc/97/43/11/1038974311.db2.gz HYMWYSNNRODRRF-UHFFFAOYSA-N 1 2 345.402 3.625 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OCC(C)C ZINC000552147241 1039026144 /nfs/dbraw/zinc/02/61/44/1039026144.db2.gz UYUSUIJBYGMDDS-NHCUHLMSSA-N 1 2 345.483 3.873 20 0 EHADLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OCC(C)C ZINC000552147241 1039026164 /nfs/dbraw/zinc/02/61/64/1039026164.db2.gz UYUSUIJBYGMDDS-NHCUHLMSSA-N 1 2 345.483 3.873 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H]1c1ccccc1 ZINC000338789856 1039026961 /nfs/dbraw/zinc/02/69/61/1039026961.db2.gz IMKFDYQYHNJHJP-IPELMVKDSA-N 1 2 348.450 3.666 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000512413484 1039064303 /nfs/dbraw/zinc/06/43/03/1039064303.db2.gz XABGKYOJWAFTPA-SFHVURJKSA-N 1 2 346.519 3.764 20 0 EHADLO CC(C)CNC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000477979828 1039083941 /nfs/dbraw/zinc/08/39/41/1039083941.db2.gz BCAYJYYEYNBCRJ-UHFFFAOYSA-N 1 2 340.389 3.567 20 0 EHADLO CC(C)CNC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000477979828 1039083955 /nfs/dbraw/zinc/08/39/55/1039083955.db2.gz BCAYJYYEYNBCRJ-UHFFFAOYSA-N 1 2 340.389 3.567 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cc3ccc(F)cc3[nH]1)CC2 ZINC000488328950 1039089236 /nfs/dbraw/zinc/08/92/36/1039089236.db2.gz ISBYVEKRBKHCIL-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3ccc(F)cc3[nH]1)CC2 ZINC000488328950 1039089252 /nfs/dbraw/zinc/08/92/52/1039089252.db2.gz ISBYVEKRBKHCIL-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO C[C@H]1CCN(c2ncc(F)c(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000418906740 1039108237 /nfs/dbraw/zinc/10/82/37/1039108237.db2.gz QYBSSFYLZOCKLV-SWLSCSKDSA-N 1 2 343.431 3.628 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000552245949 1039110657 /nfs/dbraw/zinc/11/06/57/1039110657.db2.gz BJKSSPSXIPMENE-LBPRGKRZSA-N 1 2 341.436 3.637 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1nc(N)c2ccccc2n1 ZINC000488340845 1039119136 /nfs/dbraw/zinc/11/91/36/1039119136.db2.gz AJOPLQYLCGRVTR-UHFFFAOYSA-N 1 2 326.831 3.718 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1nc(N)c2ccccc2n1 ZINC000488340845 1039119144 /nfs/dbraw/zinc/11/91/44/1039119144.db2.gz AJOPLQYLCGRVTR-UHFFFAOYSA-N 1 2 326.831 3.718 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667276067 1039121166 /nfs/dbraw/zinc/12/11/66/1039121166.db2.gz WPCJVBCRQAUCNS-VQIMIIECSA-N 1 2 338.455 3.616 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898495209 1039143209 /nfs/dbraw/zinc/14/32/09/1039143209.db2.gz JXJRPCFWCFKWDS-CYBMUJFWSA-N 1 2 344.883 3.616 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898495209 1039143215 /nfs/dbraw/zinc/14/32/15/1039143215.db2.gz JXJRPCFWCFKWDS-CYBMUJFWSA-N 1 2 344.883 3.616 20 0 EHADLO C[C@@H]1CCC(C)(C)N1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000924034613 1039166963 /nfs/dbraw/zinc/16/69/63/1039166963.db2.gz LFDFXXHZNGVNRJ-NVXWUHKLSA-N 1 2 326.444 3.597 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512449933 1039193240 /nfs/dbraw/zinc/19/32/40/1039193240.db2.gz MRDLDMXFYCLTGK-NFAWXSAZSA-N 1 2 343.298 3.849 20 0 EHADLO CC[C@@]1(C)C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473014687 1039222057 /nfs/dbraw/zinc/22/20/57/1039222057.db2.gz IOCOSOLYDBWVPJ-DNUAJFIVSA-N 1 2 338.492 3.555 20 0 EHADLO CC[C@@]1(C)C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473014687 1039222066 /nfs/dbraw/zinc/22/20/66/1039222066.db2.gz IOCOSOLYDBWVPJ-DNUAJFIVSA-N 1 2 338.492 3.555 20 0 EHADLO CCCC(CCC)SCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000554341299 1039240963 /nfs/dbraw/zinc/24/09/63/1039240963.db2.gz FCBXNRCWTHGKRF-UHFFFAOYSA-N 1 2 349.544 3.822 20 0 EHADLO O=S1(=O)CC[C@H]([NH2+]Cc2cc3ccccc3o2)c2cc(F)ccc21 ZINC000363982553 1039276490 /nfs/dbraw/zinc/27/64/90/1039276490.db2.gz IQUCHFUDGJLQFB-INIZCTEOSA-N 1 2 345.395 3.580 20 0 EHADLO C[C@H]1CO[C@H](c2noc([C@@]3(C)C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923963053 1039323064 /nfs/dbraw/zinc/32/30/64/1039323064.db2.gz AXKQMDIOTQWIPO-KNBMTAEXSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@H](c2noc([C@@]3(C)C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923963053 1039323077 /nfs/dbraw/zinc/32/30/77/1039323077.db2.gz AXKQMDIOTQWIPO-KNBMTAEXSA-N 1 2 339.439 3.639 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464272 1039359643 /nfs/dbraw/zinc/35/96/43/1039359643.db2.gz JDZBAUCZGYEDPN-MRXNPFEDSA-N 1 2 349.438 3.826 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000552554244 1039366988 /nfs/dbraw/zinc/36/69/88/1039366988.db2.gz BEMZJGAJQSIIET-GOSISDBHSA-N 1 2 347.462 3.909 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651727 1039384736 /nfs/dbraw/zinc/38/47/36/1039384736.db2.gz GDWXSGAJCJMRJW-RTBURBONSA-N 1 2 337.467 3.775 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCO1 ZINC000906198860 1039404957 /nfs/dbraw/zinc/40/49/57/1039404957.db2.gz CTVHNRWGORTHAU-RDTXWAMCSA-N 1 2 339.439 3.640 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000485686639 1039425017 /nfs/dbraw/zinc/42/50/17/1039425017.db2.gz KFWIFQCHJRHRSE-SFHVURJKSA-N 1 2 347.455 3.574 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC2(C1)CCCCC2 ZINC000485686639 1039425028 /nfs/dbraw/zinc/42/50/28/1039425028.db2.gz KFWIFQCHJRHRSE-SFHVURJKSA-N 1 2 347.455 3.574 20 0 EHADLO c1c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)nnn1C1CC1 ZINC000906287274 1039451472 /nfs/dbraw/zinc/45/14/72/1039451472.db2.gz KVJLODIHVFQFEP-FQEVSTJZSA-N 1 2 334.423 3.523 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718181 1039459572 /nfs/dbraw/zinc/45/95/72/1039459572.db2.gz CXYUFBIHULBVNZ-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718181 1039459580 /nfs/dbraw/zinc/45/95/80/1039459580.db2.gz CXYUFBIHULBVNZ-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906302881 1039459691 /nfs/dbraw/zinc/45/96/91/1039459691.db2.gz UDVIOXSMRQGHPD-RDTXWAMCSA-N 1 2 326.444 3.595 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906302881 1039459701 /nfs/dbraw/zinc/45/97/01/1039459701.db2.gz UDVIOXSMRQGHPD-RDTXWAMCSA-N 1 2 326.444 3.595 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724764 1039465682 /nfs/dbraw/zinc/46/56/82/1039465682.db2.gz SLAADKHSSMYMKB-BMGDILEWSA-N 1 2 338.442 3.899 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724764 1039465697 /nfs/dbraw/zinc/46/56/97/1039465697.db2.gz SLAADKHSSMYMKB-BMGDILEWSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000614076427 1039478908 /nfs/dbraw/zinc/47/89/08/1039478908.db2.gz MLNWBFZJPFLLDB-OASPWFOLSA-N 1 2 338.238 3.708 20 0 EHADLO O=C1CC[C@H]2C[N@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@H]2N1 ZINC000668543611 1039498113 /nfs/dbraw/zinc/49/81/13/1039498113.db2.gz WOKSSZUTBOQPGN-TVQRCGJNSA-N 1 2 347.673 3.747 20 0 EHADLO O=C1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@H]2N1 ZINC000668543611 1039498119 /nfs/dbraw/zinc/49/81/19/1039498119.db2.gz WOKSSZUTBOQPGN-TVQRCGJNSA-N 1 2 347.673 3.747 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@H](CSC)C1 ZINC000488960909 1039505284 /nfs/dbraw/zinc/50/52/84/1039505284.db2.gz NFYHATBWNSAGRI-AWEZNQCLSA-N 1 2 344.480 3.991 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC(F)(F)C1)C2 ZINC000554579890 1039505872 /nfs/dbraw/zinc/50/58/72/1039505872.db2.gz NFWQLVBQQHNSBC-STQMWFEESA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC(F)(F)C1)CC2 ZINC000554579890 1039505884 /nfs/dbraw/zinc/50/58/84/1039505884.db2.gz NFWQLVBQQHNSBC-STQMWFEESA-N 1 2 339.430 3.580 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000151921223 1039535502 /nfs/dbraw/zinc/53/55/02/1039535502.db2.gz XNVULZSYUFWOSX-AWEZNQCLSA-N 1 2 326.366 3.505 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000151921223 1039535509 /nfs/dbraw/zinc/53/55/09/1039535509.db2.gz XNVULZSYUFWOSX-AWEZNQCLSA-N 1 2 326.366 3.505 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000417228078 1039562917 /nfs/dbraw/zinc/56/29/17/1039562917.db2.gz QVLDXXGXEUGUOK-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000417228078 1039562934 /nfs/dbraw/zinc/56/29/34/1039562934.db2.gz QVLDXXGXEUGUOK-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CN(CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)c1ccccc1 ZINC000364054855 1039564394 /nfs/dbraw/zinc/56/43/94/1039564394.db2.gz KICRQDLLHCNFLZ-QGZVFWFLSA-N 1 2 326.444 3.610 20 0 EHADLO CN(CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)c1ccccc1 ZINC000364054855 1039564404 /nfs/dbraw/zinc/56/44/04/1039564404.db2.gz KICRQDLLHCNFLZ-QGZVFWFLSA-N 1 2 326.444 3.610 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CCC2CCOCC2)CCO1 ZINC000432866021 1039565231 /nfs/dbraw/zinc/56/52/31/1039565231.db2.gz KEKXMKBXDNGWQG-QGZVFWFLSA-N 1 2 343.389 3.895 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC000432866021 1039565267 /nfs/dbraw/zinc/56/52/67/1039565267.db2.gz KEKXMKBXDNGWQG-QGZVFWFLSA-N 1 2 343.389 3.895 20 0 EHADLO COC1CCC(C[NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)CC1 ZINC000893298026 1039582867 /nfs/dbraw/zinc/58/28/67/1039582867.db2.gz RMYAWFVAOCTQNZ-QWFMPGPPSA-N 1 2 349.862 3.916 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000489047997 1039589136 /nfs/dbraw/zinc/58/91/36/1039589136.db2.gz DXHWMXCSYXZGCD-RDJZCZTQSA-N 1 2 333.435 3.940 20 0 EHADLO CC(C)(C)OC1CC(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000489076207 1039593516 /nfs/dbraw/zinc/59/35/16/1039593516.db2.gz PMQUHLPIETUIJK-UHFFFAOYSA-N 1 2 327.428 3.795 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000480500260 1039629553 /nfs/dbraw/zinc/62/95/53/1039629553.db2.gz PYIZCOMEMFIZNT-UHFFFAOYSA-N 1 2 344.842 3.792 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000480500260 1039629562 /nfs/dbraw/zinc/62/95/62/1039629562.db2.gz PYIZCOMEMFIZNT-UHFFFAOYSA-N 1 2 344.842 3.792 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccccc3Cl)[nH+]c12 ZINC000552946743 1039647395 /nfs/dbraw/zinc/64/73/95/1039647395.db2.gz YQQREOIFPNPIOQ-ZDUSSCGKSA-N 1 2 327.815 3.716 20 0 EHADLO Cc1nc(N2CCC[C@@]3(C2)OCc2ccccc23)c2c([nH+]1)CCCC2 ZINC000480532972 1039650365 /nfs/dbraw/zinc/65/03/65/1039650365.db2.gz SZVXFIGDJBVKDF-NRFANRHFSA-N 1 2 335.451 3.690 20 0 EHADLO Cc1c(C(=O)NCC(C)(C)n2cc[nH+]c2)sc2cccc(F)c12 ZINC000898898826 1039670486 /nfs/dbraw/zinc/67/04/86/1039670486.db2.gz FVXLMTCXISATTL-UHFFFAOYSA-N 1 2 331.416 3.710 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@@H]1CCC3(CCCCCC3)O1)CC2 ZINC000930812282 1039677036 /nfs/dbraw/zinc/67/70/36/1039677036.db2.gz JCFJNSLVEBWIBR-HNNXBMFYSA-N 1 2 335.879 3.760 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@@H]1CCC3(CCCCCC3)O1)CC2 ZINC000930812282 1039677043 /nfs/dbraw/zinc/67/70/43/1039677043.db2.gz JCFJNSLVEBWIBR-HNNXBMFYSA-N 1 2 335.879 3.760 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000584760048 1039728793 /nfs/dbraw/zinc/72/87/93/1039728793.db2.gz JQPULVYSLCMEMD-GDBMZVCRSA-N 1 2 342.487 3.701 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000584760048 1039728809 /nfs/dbraw/zinc/72/88/09/1039728809.db2.gz JQPULVYSLCMEMD-GDBMZVCRSA-N 1 2 342.487 3.701 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000478817808 1039731507 /nfs/dbraw/zinc/73/15/07/1039731507.db2.gz SGTJTAQYKIYVAR-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097497 1039734681 /nfs/dbraw/zinc/73/46/81/1039734681.db2.gz BHUBQVKFROOPOE-YJBOKZPZSA-N 1 2 334.423 3.639 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097497 1039734702 /nfs/dbraw/zinc/73/47/02/1039734702.db2.gz BHUBQVKFROOPOE-YJBOKZPZSA-N 1 2 334.423 3.639 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(C)[nH+]1 ZINC000906803898 1039767179 /nfs/dbraw/zinc/76/71/79/1039767179.db2.gz VNDWVUPKFKZJPL-KSSFIOAISA-N 1 2 342.414 3.748 20 0 EHADLO CC(C)c1cccc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000760635241 1039796046 /nfs/dbraw/zinc/79/60/46/1039796046.db2.gz KZRHBDFZDVSVBT-UHFFFAOYSA-N 1 2 335.407 3.807 20 0 EHADLO Cc1cc(F)cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000152949520 1039816515 /nfs/dbraw/zinc/81/65/15/1039816515.db2.gz AXBVHROAYZRZHG-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC000188181506 1039870924 /nfs/dbraw/zinc/87/09/24/1039870924.db2.gz GPEGREGYONOTPP-HVHJFMEUSA-N 1 2 343.858 3.587 20 0 EHADLO Cc1ccncc1N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553227643 1039896634 /nfs/dbraw/zinc/89/66/34/1039896634.db2.gz SLKRVMUKPRXNNL-UHFFFAOYSA-N 1 2 338.842 3.918 20 0 EHADLO CCc1oc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1C(=O)OC ZINC000549810627 1039929114 /nfs/dbraw/zinc/92/91/14/1039929114.db2.gz UPMGAARZMWAUMJ-UHFFFAOYSA-N 1 2 343.757 3.850 20 0 EHADLO Cc1cc(F)ccc1CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000489417306 1039954681 /nfs/dbraw/zinc/95/46/81/1039954681.db2.gz YHLATBRDIOTGGV-UHFFFAOYSA-N 1 2 337.398 3.651 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)on1 ZINC000567484735 1039966383 /nfs/dbraw/zinc/96/63/83/1039966383.db2.gz YIJWJFRUWYEJHS-GOSISDBHSA-N 1 2 334.366 3.939 20 0 EHADLO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CC1(C)C ZINC000489431905 1039970641 /nfs/dbraw/zinc/97/06/41/1039970641.db2.gz QSCGZBGKMLQNPT-LBPRGKRZSA-N 1 2 329.425 3.887 20 0 EHADLO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CC1(C)C ZINC000489431905 1039970654 /nfs/dbraw/zinc/97/06/54/1039970654.db2.gz QSCGZBGKMLQNPT-LBPRGKRZSA-N 1 2 329.425 3.887 20 0 EHADLO O=C(Nc1cccc(Br)c1F)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000912538624 1039977303 /nfs/dbraw/zinc/97/73/03/1039977303.db2.gz CLOBZBRIGUDANE-ZDUSSCGKSA-N 1 2 341.224 3.544 20 0 EHADLO O=C(Nc1cccc(Br)c1F)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000912538624 1039977313 /nfs/dbraw/zinc/97/73/13/1039977313.db2.gz CLOBZBRIGUDANE-ZDUSSCGKSA-N 1 2 341.224 3.544 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(COc3ccccc3)c2)CC[S@]1=O ZINC000894036523 1039989040 /nfs/dbraw/zinc/98/90/40/1039989040.db2.gz IOHHFIGHXBDSAH-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(COc3ccccc3)c2)CC[S@]1=O ZINC000894036523 1039989046 /nfs/dbraw/zinc/98/90/46/1039989046.db2.gz IOHHFIGHXBDSAH-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO Ic1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000088185077 1039994000 /nfs/dbraw/zinc/99/40/00/1039994000.db2.gz OPWFVSMYAVJTPN-UHFFFAOYSA-N 1 2 349.215 3.850 20 0 EHADLO Ic1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000088185077 1039994017 /nfs/dbraw/zinc/99/40/17/1039994017.db2.gz OPWFVSMYAVJTPN-UHFFFAOYSA-N 1 2 349.215 3.850 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567504117 1040011720 /nfs/dbraw/zinc/01/17/20/1040011720.db2.gz BPAPAVRMKTWZQA-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1cc(F)c(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)c1 ZINC000927095873 1040013220 /nfs/dbraw/zinc/01/32/20/1040013220.db2.gz ZBUCXTHLLGPOMR-LBPRGKRZSA-N 1 2 339.407 3.528 20 0 EHADLO Cc1cc(CNc2ccc3ccc(=O)n(C)c3c2)c2c([nH+]1)CCCC2 ZINC000894081791 1040039685 /nfs/dbraw/zinc/03/96/85/1040039685.db2.gz DHEBRTHIANHDRF-UHFFFAOYSA-N 1 2 333.435 3.733 20 0 EHADLO O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000899120761 1040051376 /nfs/dbraw/zinc/05/13/76/1040051376.db2.gz QQZNQHLUHUDARJ-KKUMJFAQSA-N 1 2 337.414 3.746 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143551895 1040055595 /nfs/dbraw/zinc/05/55/95/1040055595.db2.gz MJTBUWREOGFADD-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143551895 1040055608 /nfs/dbraw/zinc/05/56/08/1040055608.db2.gz MJTBUWREOGFADD-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000899125416 1040061503 /nfs/dbraw/zinc/06/15/03/1040061503.db2.gz PXNKRUJWXHNKIH-OAHLLOKOSA-N 1 2 347.409 3.611 20 0 EHADLO COCC[N@H+](Cc1sccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000555016127 1040066445 /nfs/dbraw/zinc/06/64/45/1040066445.db2.gz SSGXXWXXFRBDCZ-UHFFFAOYSA-N 1 2 339.844 3.779 20 0 EHADLO COCC[N@@H+](Cc1sccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000555016127 1040066452 /nfs/dbraw/zinc/06/64/52/1040066452.db2.gz SSGXXWXXFRBDCZ-UHFFFAOYSA-N 1 2 339.844 3.779 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2N(C)C)n1 ZINC000162448241 1040083709 /nfs/dbraw/zinc/08/37/09/1040083709.db2.gz JDPNYVGSSXMCLF-QGZVFWFLSA-N 1 2 339.443 3.528 20 0 EHADLO CCC[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000553459466 1040088339 /nfs/dbraw/zinc/08/83/39/1040088339.db2.gz PTDKYODFNIBHRS-HNNXBMFYSA-N 1 2 339.483 3.921 20 0 EHADLO CCC[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000553459466 1040088357 /nfs/dbraw/zinc/08/83/57/1040088357.db2.gz PTDKYODFNIBHRS-HNNXBMFYSA-N 1 2 339.483 3.921 20 0 EHADLO CSc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)o1 ZINC000894095219 1040088947 /nfs/dbraw/zinc/08/89/47/1040088947.db2.gz QDNFEWBQYIJIFV-UHFFFAOYSA-N 1 2 329.263 3.735 20 0 EHADLO CSc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)o1 ZINC000894095219 1040088965 /nfs/dbraw/zinc/08/89/65/1040088965.db2.gz QDNFEWBQYIJIFV-UHFFFAOYSA-N 1 2 329.263 3.735 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cc(Br)c(F)cc1F ZINC000907640987 1040113625 /nfs/dbraw/zinc/11/36/25/1040113625.db2.gz RKTVXTFGQQENKH-GFCCVEGCSA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cc(Br)c(F)cc1F ZINC000907640987 1040113630 /nfs/dbraw/zinc/11/36/30/1040113630.db2.gz RKTVXTFGQQENKH-GFCCVEGCSA-N 1 2 347.203 3.539 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000428732928 1040120905 /nfs/dbraw/zinc/12/09/05/1040120905.db2.gz VOWXCPSURWYUAL-PEYYIBSZSA-N 1 2 342.817 3.953 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000428732928 1040120908 /nfs/dbraw/zinc/12/09/08/1040120908.db2.gz VOWXCPSURWYUAL-PEYYIBSZSA-N 1 2 342.817 3.953 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000417685645 1040160638 /nfs/dbraw/zinc/16/06/38/1040160638.db2.gz RSQWICXRNZVTMV-UHFFFAOYSA-N 1 2 339.464 3.630 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000417685645 1040160647 /nfs/dbraw/zinc/16/06/47/1040160647.db2.gz RSQWICXRNZVTMV-UHFFFAOYSA-N 1 2 339.464 3.630 20 0 EHADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](CC)c1ccccc1 ZINC000667473845 1040170916 /nfs/dbraw/zinc/17/09/16/1040170916.db2.gz WYOCKAPVTOJNAC-KURKYZTESA-N 1 2 325.456 3.914 20 0 EHADLO Cc1cc2[nH]c(C[NH2+][C@@H](CO)c3c(F)cccc3F)cc2c(C)c1 ZINC000479377982 1040179614 /nfs/dbraw/zinc/17/96/14/1040179614.db2.gz LQDNXUXGLCSIAK-SFHVURJKSA-N 1 2 330.378 3.886 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3C)CC2)c1 ZINC000512587063 1040209223 /nfs/dbraw/zinc/20/92/23/1040209223.db2.gz NJBHOSZQDVEMBQ-UHFFFAOYSA-N 1 2 341.430 3.792 20 0 EHADLO CCc1nc(N2CCn3c(cc4cc(Cl)ccc43)C2)cc(C)[nH+]1 ZINC000553582607 1040215102 /nfs/dbraw/zinc/21/51/02/1040215102.db2.gz BGBILYUBFHWSPZ-UHFFFAOYSA-N 1 2 326.831 3.976 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432939695 1040235592 /nfs/dbraw/zinc/23/55/92/1040235592.db2.gz RUXKDVOKDXBWQU-UHFFFAOYSA-N 1 2 336.867 3.657 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432939695 1040235600 /nfs/dbraw/zinc/23/56/00/1040235600.db2.gz RUXKDVOKDXBWQU-UHFFFAOYSA-N 1 2 336.867 3.657 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COC(C)(C)C2)c1 ZINC000417837053 1040257407 /nfs/dbraw/zinc/25/74/07/1040257407.db2.gz PIQZMGBZMKBMEF-INIZCTEOSA-N 1 2 331.485 3.755 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COC(C)(C)C2)c1 ZINC000417837053 1040257423 /nfs/dbraw/zinc/25/74/23/1040257423.db2.gz PIQZMGBZMKBMEF-INIZCTEOSA-N 1 2 331.485 3.755 20 0 EHADLO CCC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000053376601 1040261334 /nfs/dbraw/zinc/26/13/34/1040261334.db2.gz OZQOFXNZZHCAQP-LLVKDONJSA-N 1 2 339.823 3.697 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000417854860 1040262892 /nfs/dbraw/zinc/26/28/92/1040262892.db2.gz QIFLUDQJUAODRZ-UHFFFAOYSA-N 1 2 335.333 3.720 20 0 EHADLO CCC[N@H+](Cc1cccnc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490028030 1040297051 /nfs/dbraw/zinc/29/70/51/1040297051.db2.gz CJUUTOVYTXJZAR-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cccnc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490028030 1040297072 /nfs/dbraw/zinc/29/70/72/1040297072.db2.gz CJUUTOVYTXJZAR-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1conc1Cc1ccccc1)n2C ZINC000512617898 1040298724 /nfs/dbraw/zinc/29/87/24/1040298724.db2.gz PHRIGVKUGUBAKS-UHFFFAOYSA-N 1 2 346.434 3.750 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000154420096 1040307410 /nfs/dbraw/zinc/30/74/10/1040307410.db2.gz GWIZQXDJLUPIJG-CVEARBPZSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000154420096 1040307424 /nfs/dbraw/zinc/30/74/24/1040307424.db2.gz GWIZQXDJLUPIJG-CVEARBPZSA-N 1 2 348.418 3.969 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001143508373 1040314609 /nfs/dbraw/zinc/31/46/09/1040314609.db2.gz IJQDBMRBEOVPTE-UHFFFAOYSA-N 1 2 329.753 3.651 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)no1 ZINC000486719188 1040379112 /nfs/dbraw/zinc/37/91/12/1040379112.db2.gz GXLSMWBRXHFKKW-UHFFFAOYSA-N 1 2 331.391 3.900 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000511649550 1040394232 /nfs/dbraw/zinc/39/42/32/1040394232.db2.gz SPZRMMXQLPHKMY-TZIWHRDSSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000511649550 1040394254 /nfs/dbraw/zinc/39/42/54/1040394254.db2.gz SPZRMMXQLPHKMY-TZIWHRDSSA-N 1 2 339.435 3.859 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(N(C)C)[nH+]1 ZINC000759993643 1040424453 /nfs/dbraw/zinc/42/44/53/1040424453.db2.gz KKOACBSCVNJNRO-ZDUSSCGKSA-N 1 2 344.381 3.699 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)o1 ZINC000433033615 1040518198 /nfs/dbraw/zinc/51/81/98/1040518198.db2.gz QGCFANHUYNCYJT-JCQPUDPBSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)o1 ZINC000433033615 1040518209 /nfs/dbraw/zinc/51/82/09/1040518209.db2.gz QGCFANHUYNCYJT-JCQPUDPBSA-N 1 2 335.444 3.737 20 0 EHADLO CSC1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000899468785 1040554237 /nfs/dbraw/zinc/55/42/37/1040554237.db2.gz FVXPGSNFHQQVCE-LBPRGKRZSA-N 1 2 349.422 3.559 20 0 EHADLO CCOc1cc(Br)c(F)cc1NCc1c[nH+]cn1CC ZINC000418081098 1040556518 /nfs/dbraw/zinc/55/65/18/1040556518.db2.gz NMHRBJOXHBQJTA-UHFFFAOYSA-N 1 2 342.212 3.815 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000500129942 1040569133 /nfs/dbraw/zinc/56/91/33/1040569133.db2.gz PWLXRAWEXJBYGA-YGRLFVJLSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000500129942 1040569137 /nfs/dbraw/zinc/56/91/37/1040569137.db2.gz PWLXRAWEXJBYGA-YGRLFVJLSA-N 1 2 346.215 3.728 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261641 1040571491 /nfs/dbraw/zinc/57/14/91/1040571491.db2.gz VLIZGBAHXWRVCJ-LAUBAEHRSA-N 1 2 339.483 3.826 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261641 1040571501 /nfs/dbraw/zinc/57/15/01/1040571501.db2.gz VLIZGBAHXWRVCJ-LAUBAEHRSA-N 1 2 339.483 3.826 20 0 EHADLO CC1(C)CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000490534743 1040585026 /nfs/dbraw/zinc/58/50/26/1040585026.db2.gz LVQCLBWNDZAOJL-UHFFFAOYSA-N 1 2 329.419 3.844 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000486966900 1040587638 /nfs/dbraw/zinc/58/76/38/1040587638.db2.gz GOLKXSOSQWFZDD-UHFFFAOYSA-N 1 2 347.768 3.787 20 0 EHADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000042880392 1040603454 /nfs/dbraw/zinc/60/34/54/1040603454.db2.gz SIDGACKQCKWSII-OAHLLOKOSA-N 1 2 347.418 3.767 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000433071453 1040631042 /nfs/dbraw/zinc/63/10/42/1040631042.db2.gz JTIMXHQFWPTROY-INIZCTEOSA-N 1 2 344.405 3.955 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000433071453 1040631052 /nfs/dbraw/zinc/63/10/52/1040631052.db2.gz JTIMXHQFWPTROY-INIZCTEOSA-N 1 2 344.405 3.955 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C1CCC(CSC)CC1 ZINC000419232143 1040642791 /nfs/dbraw/zinc/64/27/91/1040642791.db2.gz KNLPKDOQMYGKSC-DAWZGUTISA-N 1 2 335.513 3.591 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433076893 1040663311 /nfs/dbraw/zinc/66/33/11/1040663311.db2.gz PRDPVBKBEKQENE-INIZCTEOSA-N 1 2 328.412 3.539 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433076893 1040663318 /nfs/dbraw/zinc/66/33/18/1040663318.db2.gz PRDPVBKBEKQENE-INIZCTEOSA-N 1 2 328.412 3.539 20 0 EHADLO CCc1[nH]nc(Cl)c1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894114437 1040678483 /nfs/dbraw/zinc/67/84/83/1040678483.db2.gz YMKVUGNNJXZHPT-UHFFFAOYSA-N 1 2 347.894 3.538 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000894114437 1040678486 /nfs/dbraw/zinc/67/84/86/1040678486.db2.gz YMKVUGNNJXZHPT-UHFFFAOYSA-N 1 2 347.894 3.538 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000364284610 1040684463 /nfs/dbraw/zinc/68/44/63/1040684463.db2.gz SSBYBJNDOQSGRV-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364321027 1040792356 /nfs/dbraw/zinc/79/23/56/1040792356.db2.gz YGMXFHQYNWDGSN-LLVKDONJSA-N 1 2 335.860 3.850 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000487237578 1040839280 /nfs/dbraw/zinc/83/92/80/1040839280.db2.gz UDHCVILTWRMXGP-MISYRCLQSA-N 1 2 349.478 3.826 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)cc2c1 ZINC000668768080 1040854809 /nfs/dbraw/zinc/85/48/09/1040854809.db2.gz NBSKIEBYXSEPEK-IAQYHMDHSA-N 1 2 343.345 3.983 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)cc2c1 ZINC000668768080 1040854820 /nfs/dbraw/zinc/85/48/20/1040854820.db2.gz NBSKIEBYXSEPEK-IAQYHMDHSA-N 1 2 343.345 3.983 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccccc3F)C3CC3)[nH+]c12 ZINC000586708728 1040986099 /nfs/dbraw/zinc/98/60/99/1040986099.db2.gz KADBWJNQFJUVFB-UHFFFAOYSA-N 1 2 337.398 3.516 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2ccncc2Cl)CC1 ZINC000193137434 1040992133 /nfs/dbraw/zinc/99/21/33/1040992133.db2.gz WUIUUIYXODZENN-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000586811431 1041014807 /nfs/dbraw/zinc/01/48/07/1041014807.db2.gz RSDTZBVJOPMJMD-LBPRGKRZSA-N 1 2 340.254 3.890 20 0 EHADLO CC[C@@H]1C[C@@]1([NH2+]Cc1nn(C)cc1Br)c1cccc(C)c1 ZINC000433189777 1041028414 /nfs/dbraw/zinc/02/84/14/1041028414.db2.gz DMYFERPKAGLICS-DYVFJYSZSA-N 1 2 348.288 3.906 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)nnn1-c1ccc(F)cc1 ZINC000481537402 1041032526 /nfs/dbraw/zinc/03/25/26/1041032526.db2.gz VLUWKGRUTVEELM-NSHDSACASA-N 1 2 346.356 3.844 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000481581585 1041113087 /nfs/dbraw/zinc/11/30/87/1041113087.db2.gz OLHNXYUKLPKQGZ-WOJBJXKFSA-N 1 2 340.467 3.504 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255163 1041163377 /nfs/dbraw/zinc/16/33/77/1041163377.db2.gz FIUFXODAONOCMZ-CHWSQXEVSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255163 1041163385 /nfs/dbraw/zinc/16/33/85/1041163385.db2.gz FIUFXODAONOCMZ-CHWSQXEVSA-N 1 2 326.843 3.700 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859430 1041202272 /nfs/dbraw/zinc/20/22/72/1041202272.db2.gz RXPXPTKLVJIOQY-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859430 1041202284 /nfs/dbraw/zinc/20/22/84/1041202284.db2.gz RXPXPTKLVJIOQY-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1F ZINC000487939939 1041205330 /nfs/dbraw/zinc/20/53/30/1041205330.db2.gz CFSHAZFTLIZOKK-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000571295355 1041258163 /nfs/dbraw/zinc/25/81/63/1041258163.db2.gz WBHVTNIDXAWSJB-AWEZNQCLSA-N 1 2 337.876 3.761 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428745677 1041347045 /nfs/dbraw/zinc/34/70/45/1041347045.db2.gz BZILKBOEIQKYQM-DZGCQCFKSA-N 1 2 328.790 3.564 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428745677 1041347052 /nfs/dbraw/zinc/34/70/52/1041347052.db2.gz BZILKBOEIQKYQM-DZGCQCFKSA-N 1 2 328.790 3.564 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428748367 1041350938 /nfs/dbraw/zinc/35/09/38/1041350938.db2.gz MNDRNIBQJQZCIY-HIFRSBDPSA-N 1 2 329.774 3.604 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428748367 1041350945 /nfs/dbraw/zinc/35/09/45/1041350945.db2.gz MNDRNIBQJQZCIY-HIFRSBDPSA-N 1 2 329.774 3.604 20 0 EHADLO COCC[C@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274746 1041388328 /nfs/dbraw/zinc/38/83/28/1041388328.db2.gz IQAXOPRJAFLOPK-PBHICJAKSA-N 1 2 339.863 3.693 20 0 EHADLO COCC[C@H]1CCCC[N@H+]([C@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274746 1041388335 /nfs/dbraw/zinc/38/83/35/1041388335.db2.gz IQAXOPRJAFLOPK-PBHICJAKSA-N 1 2 339.863 3.693 20 0 EHADLO CCc1nocc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000660460580 1041496869 /nfs/dbraw/zinc/49/68/69/1041496869.db2.gz HVZVBSUAERCFRH-AWEZNQCLSA-N 1 2 348.752 3.732 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000110717644 1041529928 /nfs/dbraw/zinc/52/99/28/1041529928.db2.gz MTKYNIMFJLTLNL-QGZVFWFLSA-N 1 2 343.496 3.961 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000432086786 1041569353 /nfs/dbraw/zinc/56/93/53/1041569353.db2.gz APSAZSWAMZUOOK-BRWVUGGUSA-N 1 2 345.487 3.638 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000047273570 1041603846 /nfs/dbraw/zinc/60/38/46/1041603846.db2.gz XXQNFEPECKKCSQ-CRAIPNDOSA-N 1 2 341.455 3.560 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000047273570 1041603852 /nfs/dbraw/zinc/60/38/52/1041603852.db2.gz XXQNFEPECKKCSQ-CRAIPNDOSA-N 1 2 341.455 3.560 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000511810348 1041640824 /nfs/dbraw/zinc/64/08/24/1041640824.db2.gz NXNFDJQCEBSAPO-KKUMJFAQSA-N 1 2 329.362 3.883 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCn2c[nH+]cc2C1 ZINC000660581701 1041703964 /nfs/dbraw/zinc/70/39/64/1041703964.db2.gz ILIJXOYQCFDJPC-GFCCVEGCSA-N 1 2 328.803 3.768 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618043 1041730409 /nfs/dbraw/zinc/73/04/09/1041730409.db2.gz CHPOWSOIZIFKSH-FZMZJTMJSA-N 1 2 336.892 3.948 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618043 1041730418 /nfs/dbraw/zinc/73/04/18/1041730418.db2.gz CHPOWSOIZIFKSH-FZMZJTMJSA-N 1 2 336.892 3.948 20 0 EHADLO Cc1cccc(CCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000043752746 1041750326 /nfs/dbraw/zinc/75/03/26/1041750326.db2.gz ZPHSWKPRTJEKPF-UHFFFAOYSA-N 1 2 347.462 3.531 20 0 EHADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632331 1041814496 /nfs/dbraw/zinc/81/44/96/1041814496.db2.gz KLZHKGJSYMSIHG-VXGBXAGGSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632331 1041814503 /nfs/dbraw/zinc/81/45/03/1041814503.db2.gz KLZHKGJSYMSIHG-VXGBXAGGSA-N 1 2 349.887 3.628 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000660836473 1041841331 /nfs/dbraw/zinc/84/13/31/1041841331.db2.gz IPNHPIQPPROVGA-UHFFFAOYSA-N 1 2 328.412 3.734 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1cc(C3CC3)no1)C2 ZINC000660836473 1041841337 /nfs/dbraw/zinc/84/13/37/1041841337.db2.gz IPNHPIQPPROVGA-UHFFFAOYSA-N 1 2 328.412 3.734 20 0 EHADLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000618444792 1041891719 /nfs/dbraw/zinc/89/17/19/1041891719.db2.gz OMWLZMOLUVDNQU-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO CC[N@H+](CC(=O)N1CCCC(F)(F)CC1)Cc1ccccc1Cl ZINC000628632580 1041959287 /nfs/dbraw/zinc/95/92/87/1041959287.db2.gz BLJCPTSALADYIL-UHFFFAOYSA-N 1 2 344.833 3.810 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCC(F)(F)CC1)Cc1ccccc1Cl ZINC000628632580 1041959293 /nfs/dbraw/zinc/95/92/93/1041959293.db2.gz BLJCPTSALADYIL-UHFFFAOYSA-N 1 2 344.833 3.810 20 0 EHADLO CCSCc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000593483846 1041992769 /nfs/dbraw/zinc/99/27/69/1041992769.db2.gz JSSLHPWQEUVTHT-UHFFFAOYSA-N 1 2 329.469 3.654 20 0 EHADLO CC1(C)C[C@@H]([N@H+](Cc2cc3n(n2)CCCC3)Cc2ccccc2)CO1 ZINC000661195786 1041999002 /nfs/dbraw/zinc/99/90/02/1041999002.db2.gz MRYJIOCITZGSMO-HXUWFJFHSA-N 1 2 339.483 3.789 20 0 EHADLO CC1(C)C[C@@H]([N@@H+](Cc2cc3n(n2)CCCC3)Cc2ccccc2)CO1 ZINC000661195786 1041999005 /nfs/dbraw/zinc/99/90/05/1041999005.db2.gz MRYJIOCITZGSMO-HXUWFJFHSA-N 1 2 339.483 3.789 20 0 EHADLO C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786347 1042032713 /nfs/dbraw/zinc/03/27/13/1042032713.db2.gz SZGMTJWFCQMKPN-XJKSGUPXSA-N 1 2 340.870 3.557 20 0 EHADLO O=c1nc(C[NH+]2CCC(C3CCC3)CC2)[nH]c2sc3c(c21)CCC3 ZINC000661377022 1042088843 /nfs/dbraw/zinc/08/88/43/1042088843.db2.gz PBBSXOVFHXFCIF-UHFFFAOYSA-N 1 2 343.496 3.898 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000661420856 1042112619 /nfs/dbraw/zinc/11/26/19/1042112619.db2.gz WFXANFQLAQBCML-SGMGOOAPSA-N 1 2 335.498 3.607 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000661644636 1042234842 /nfs/dbraw/zinc/23/48/42/1042234842.db2.gz CYXQTWUQTYTJJT-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000661644636 1042234845 /nfs/dbraw/zinc/23/48/45/1042234845.db2.gz CYXQTWUQTYTJJT-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC1=CCCOC1 ZINC000661656130 1042235819 /nfs/dbraw/zinc/23/58/19/1042235819.db2.gz XIKRIOGBPNZMQP-CYBMUJFWSA-N 1 2 347.846 3.653 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC1=CCCOC1 ZINC000661656130 1042235824 /nfs/dbraw/zinc/23/58/24/1042235824.db2.gz XIKRIOGBPNZMQP-CYBMUJFWSA-N 1 2 347.846 3.653 20 0 EHADLO Brc1c[nH]nc1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652153282 1042246087 /nfs/dbraw/zinc/24/60/87/1042246087.db2.gz FPLHKACVLKRZFH-INIZCTEOSA-N 1 2 349.276 3.978 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CCF)C2)c(Cl)c1 ZINC000661691763 1042259563 /nfs/dbraw/zinc/25/95/63/1042259563.db2.gz ARHQFGGIBHCJRA-CQSZACIVSA-N 1 2 326.843 3.967 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](CCF)C2)c(Cl)c1 ZINC000661691763 1042259566 /nfs/dbraw/zinc/25/95/66/1042259566.db2.gz ARHQFGGIBHCJRA-CQSZACIVSA-N 1 2 326.843 3.967 20 0 EHADLO COCCC1(C)C[NH+](Cc2cccc(Cl)c2Br)C1 ZINC001182226267 1133599350 /nfs/dbraw/zinc/59/93/50/1133599350.db2.gz GCQSCSKSZGQFGE-UHFFFAOYSA-N 1 2 332.669 3.961 20 0 EHADLO COc1cncc(/C=C/CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000661737092 1042293914 /nfs/dbraw/zinc/29/39/14/1042293914.db2.gz ROQPJTMRXQOBLX-XQASTXFUSA-N 1 2 342.414 3.706 20 0 EHADLO COc1cncc(/C=C/CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000661737092 1042293918 /nfs/dbraw/zinc/29/39/18/1042293918.db2.gz ROQPJTMRXQOBLX-XQASTXFUSA-N 1 2 342.414 3.706 20 0 EHADLO O=C(NCCc1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000053680471 1042346654 /nfs/dbraw/zinc/34/66/54/1042346654.db2.gz VXLKZKKSICFKTH-UHFFFAOYSA-N 1 2 331.828 3.560 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2nnn(-c3ccc(C)cc3)c2C)c1 ZINC000652330999 1042378395 /nfs/dbraw/zinc/37/83/95/1042378395.db2.gz VBTAWFCWPXRUTB-CQSZACIVSA-N 1 2 337.427 3.599 20 0 EHADLO Cc1nc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cs1 ZINC000048782773 1042417667 /nfs/dbraw/zinc/41/76/67/1042417667.db2.gz YCUCUWCEBBAPEG-UHFFFAOYSA-N 1 2 348.422 3.822 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000661973584 1042436197 /nfs/dbraw/zinc/43/61/97/1042436197.db2.gz NRTSLPCLVJYVLL-NXEZZACHSA-N 1 2 332.753 3.639 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000661973584 1042436199 /nfs/dbraw/zinc/43/61/99/1042436199.db2.gz NRTSLPCLVJYVLL-NXEZZACHSA-N 1 2 332.753 3.639 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccc(F)cc1 ZINC000661972920 1042438146 /nfs/dbraw/zinc/43/81/46/1042438146.db2.gz RMPTXOCBTLGEQE-KBPBESRZSA-N 1 2 345.443 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccc(F)cc1 ZINC000661972920 1042438149 /nfs/dbraw/zinc/43/81/49/1042438149.db2.gz RMPTXOCBTLGEQE-KBPBESRZSA-N 1 2 345.443 3.809 20 0 EHADLO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1Cl ZINC001626588593 1042439407 /nfs/dbraw/zinc/43/94/07/1042439407.db2.gz YBLUSYUJYDYFLV-UHFFFAOYSA-N 1 2 340.757 3.638 20 0 EHADLO CC(C)(C)OC1CC(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000432275460 1042458779 /nfs/dbraw/zinc/45/87/79/1042458779.db2.gz CAUMDCZQZHCZFI-UHFFFAOYSA-N 1 2 341.455 3.586 20 0 EHADLO Clc1ccccc1-c1nnc(C[NH+]2CCC(c3ccon3)CC2)o1 ZINC000662042335 1042477971 /nfs/dbraw/zinc/47/79/71/1042477971.db2.gz BYNMRDSEMBJANR-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO Cc1cc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)ccc1F ZINC000662047704 1042480581 /nfs/dbraw/zinc/48/05/81/1042480581.db2.gz NJDUSJVERSNMTR-UHFFFAOYSA-N 1 2 342.374 3.552 20 0 EHADLO COCc1nc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cs1 ZINC000662211611 1042605847 /nfs/dbraw/zinc/60/58/47/1042605847.db2.gz HKRLKLAYLMFQCY-UHFFFAOYSA-N 1 2 342.464 3.730 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161741674 1042682427 /nfs/dbraw/zinc/68/24/27/1042682427.db2.gz LBMLLYIJOMSTOJ-KRWDZBQOSA-N 1 2 343.446 3.804 20 0 EHADLO O=C(CSc1ccc(F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161810512 1042687861 /nfs/dbraw/zinc/68/78/61/1042687861.db2.gz VISFGTYCNKVSOS-UHFFFAOYSA-N 1 2 327.384 3.947 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000663352930 1042741953 /nfs/dbraw/zinc/74/19/53/1042741953.db2.gz YHXKFSISJBDHFF-KRWDZBQOSA-N 1 2 349.434 3.667 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000121252965 1042748401 /nfs/dbraw/zinc/74/84/01/1042748401.db2.gz ZXCCAYYRMBHCLS-WWDZGPRUSA-N 1 2 346.519 3.599 20 0 EHADLO CCN(c1ccccc1)c1cc(NCc2ccn3cc[nH+]c3c2)ncn1 ZINC000432313170 1042785529 /nfs/dbraw/zinc/78/55/29/1042785529.db2.gz QOQAZIDSEJFIFL-UHFFFAOYSA-N 1 2 344.422 3.894 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000069070302 1042798000 /nfs/dbraw/zinc/79/80/00/1042798000.db2.gz PSKQNNJGLCFAEF-LLVKDONJSA-N 1 2 342.317 3.810 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000069070302 1042798003 /nfs/dbraw/zinc/79/80/03/1042798003.db2.gz PSKQNNJGLCFAEF-LLVKDONJSA-N 1 2 342.317 3.810 20 0 EHADLO c1ccc(Nc2cc(NC3CCN(c4cccc[nH+]4)CC3)ncn2)cc1 ZINC000663390292 1042800985 /nfs/dbraw/zinc/80/09/85/1042800985.db2.gz DUDRWDFKGGGUGO-UHFFFAOYSA-N 1 2 346.438 3.696 20 0 EHADLO COc1ccc(OC2CCN(c3[nH+]ccc4c(N)cccc43)CC2)cc1 ZINC000663393669 1042807196 /nfs/dbraw/zinc/80/71/96/1042807196.db2.gz IMZHVBLLBRSRSQ-UHFFFAOYSA-N 1 2 349.434 3.873 20 0 EHADLO O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000603785807 1042842346 /nfs/dbraw/zinc/84/23/46/1042842346.db2.gz JWTORNJRTPAGNH-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000166205668 1042928950 /nfs/dbraw/zinc/92/89/50/1042928950.db2.gz XYKAVSMCWNOUIG-ZDUSSCGKSA-N 1 2 345.468 3.821 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2C)cs1 ZINC000166205668 1042928955 /nfs/dbraw/zinc/92/89/55/1042928955.db2.gz XYKAVSMCWNOUIG-ZDUSSCGKSA-N 1 2 345.468 3.821 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000408279438 1042942673 /nfs/dbraw/zinc/94/26/73/1042942673.db2.gz JGTPSVIBPBMJIN-BRWVUGGUSA-N 1 2 332.492 3.904 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C(F)(F)F)cn2)o1 ZINC000278921140 1042952292 /nfs/dbraw/zinc/95/22/92/1042952292.db2.gz WQAPMXCDDLPPGY-CQSZACIVSA-N 1 2 328.334 3.733 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)c2c(n1)CCCC2 ZINC000893623608 1042963095 /nfs/dbraw/zinc/96/30/95/1042963095.db2.gz ZNBSNBUAGXOGRR-UHFFFAOYSA-N 1 2 334.423 3.609 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000424810556 1042976247 /nfs/dbraw/zinc/97/62/47/1042976247.db2.gz NXXYNEAKINIPNQ-MJGOQNOKSA-N 1 2 339.483 3.703 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102482 1042999962 /nfs/dbraw/zinc/99/99/62/1042999962.db2.gz OYAXLCROGFIETA-KRWDZBQOSA-N 1 2 344.499 3.666 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1CSc1nc(N)cc(C)[nH+]1 ZINC000007149228 1043028620 /nfs/dbraw/zinc/02/86/20/1043028620.db2.gz IXAIOZOOHGALLO-UHFFFAOYSA-N 1 2 343.408 3.582 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1ccccc1N(C)C ZINC000344134853 1043309504 /nfs/dbraw/zinc/30/95/04/1043309504.db2.gz ZRKOIKRATMWMAT-MRXNPFEDSA-N 1 2 335.455 3.526 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000344134853 1043309511 /nfs/dbraw/zinc/30/95/11/1043309511.db2.gz ZRKOIKRATMWMAT-MRXNPFEDSA-N 1 2 335.455 3.526 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000279120600 1043384641 /nfs/dbraw/zinc/38/46/41/1043384641.db2.gz LPWRHQBAHVWTST-UHFFFAOYSA-N 1 2 345.512 3.870 20 0 EHADLO CC(C)c1nc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cs1 ZINC000512145734 1043433587 /nfs/dbraw/zinc/43/35/87/1043433587.db2.gz FMZYLBFGZPCOTC-UHFFFAOYSA-N 1 2 342.468 3.991 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cs1 ZINC000512145734 1043433593 /nfs/dbraw/zinc/43/35/93/1043433593.db2.gz FMZYLBFGZPCOTC-UHFFFAOYSA-N 1 2 342.468 3.991 20 0 EHADLO CCCn1ncnc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000279140380 1043438250 /nfs/dbraw/zinc/43/82/50/1043438250.db2.gz YBVNRVPNDSHWQZ-UHFFFAOYSA-N 1 2 338.377 3.876 20 0 EHADLO CCCC1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC1 ZINC000344245252 1043509430 /nfs/dbraw/zinc/50/94/30/1043509430.db2.gz DMRMLFQEQOGGEE-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2nccc3ccccc32)c1 ZINC000344279449 1043582069 /nfs/dbraw/zinc/58/20/69/1043582069.db2.gz RKGHMLITQJNURC-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCCc3occc3C2)c1C ZINC000344309154 1043632612 /nfs/dbraw/zinc/63/26/12/1043632612.db2.gz XVAIHELDVGPJSF-OAHLLOKOSA-N 1 2 344.455 3.536 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCCc3occc3C2)c1C ZINC000344309154 1043632621 /nfs/dbraw/zinc/63/26/21/1043632621.db2.gz XVAIHELDVGPJSF-OAHLLOKOSA-N 1 2 344.455 3.536 20 0 EHADLO c1cc2nc(-c3ccccc3)cc(N3CCC(c4c[nH]c[nH+]4)CC3)n2n1 ZINC000663700569 1043672231 /nfs/dbraw/zinc/67/22/31/1043672231.db2.gz IQAQNRLFTBBCGM-UHFFFAOYSA-N 1 2 344.422 3.503 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000344343224 1043693381 /nfs/dbraw/zinc/69/33/81/1043693381.db2.gz ALJWHZHQAIOHKM-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc3ccccc3s2)C[C@H](C)O1 ZINC000021059108 1043727050 /nfs/dbraw/zinc/72/70/50/1043727050.db2.gz UMQOXKOUDXUDJX-OKILXGFUSA-N 1 2 346.496 3.519 20 0 EHADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc3ccccc3s2)C[C@H](C)O1 ZINC000021059108 1043727055 /nfs/dbraw/zinc/72/70/55/1043727055.db2.gz UMQOXKOUDXUDJX-OKILXGFUSA-N 1 2 346.496 3.519 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000153277549 1043735177 /nfs/dbraw/zinc/73/51/77/1043735177.db2.gz FWTROOZZQAMWHR-OXQOHEQNSA-N 1 2 348.450 3.829 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000153277360 1043743193 /nfs/dbraw/zinc/74/31/93/1043743193.db2.gz FWTROOZZQAMWHR-UZLBHIALSA-N 1 2 348.450 3.829 20 0 EHADLO C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162773091 1043778913 /nfs/dbraw/zinc/77/89/13/1043778913.db2.gz APWCQDQEUQYGAC-LBPRGKRZSA-N 1 2 325.343 3.622 20 0 EHADLO C[C@@H]1CCN(c2cc(Cl)c3ncccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000663714362 1043787962 /nfs/dbraw/zinc/78/79/62/1043787962.db2.gz SXTUBIREADJPRA-IUODEOHRSA-N 1 2 327.819 3.567 20 0 EHADLO CCOc1cccc(CNc2ccc(N(C)C)[nH+]c2)c1OC(F)F ZINC000162956447 1043865053 /nfs/dbraw/zinc/86/50/53/1043865053.db2.gz XMYWAHNGJLDRAN-UHFFFAOYSA-N 1 2 337.370 3.760 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]nc2-c2cccc(Cl)c2)c[nH+]1 ZINC000162965907 1043866578 /nfs/dbraw/zinc/86/65/78/1043866578.db2.gz UWRUEMIVLMAPHO-UHFFFAOYSA-N 1 2 327.819 3.803 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)co2)[C@H]1Oc1ccccc1 ZINC000893685643 1043876721 /nfs/dbraw/zinc/87/67/21/1043876721.db2.gz YDPQAMDTKDDULU-GPMSIDNRSA-N 1 2 344.455 3.687 20 0 EHADLO CC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744399 1043911366 /nfs/dbraw/zinc/91/13/66/1043911366.db2.gz DVDJVCLXDNQAHO-FUHWJXTLSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744399 1043911371 /nfs/dbraw/zinc/91/13/71/1043911371.db2.gz DVDJVCLXDNQAHO-FUHWJXTLSA-N 1 2 347.821 3.934 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000279329686 1043950518 /nfs/dbraw/zinc/95/05/18/1043950518.db2.gz CPNJOXGEEZKIAZ-INIZCTEOSA-N 1 2 339.361 3.793 20 0 EHADLO Cc1cccc(C[NH+](CCOCC(C)C)Cc2cccc(C)n2)n1 ZINC000337307971 1044147114 /nfs/dbraw/zinc/14/71/14/1044147114.db2.gz XJCBRVVKWKVTGF-UHFFFAOYSA-N 1 2 327.472 3.768 20 0 EHADLO CCCn1ncnc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000279583178 1044252637 /nfs/dbraw/zinc/25/26/37/1044252637.db2.gz VUYKYENRGXOQRQ-UHFFFAOYSA-N 1 2 341.484 3.677 20 0 EHADLO COc1cc(C)ccc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000432560574 1044253771 /nfs/dbraw/zinc/25/37/71/1044253771.db2.gz UTLPZBMYQTUZGD-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648278 1044365039 /nfs/dbraw/zinc/36/50/39/1044365039.db2.gz BJWPOYHDBMAJQI-ZRGWGRIASA-N 1 2 344.480 3.578 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648278 1044365052 /nfs/dbraw/zinc/36/50/52/1044365052.db2.gz BJWPOYHDBMAJQI-ZRGWGRIASA-N 1 2 344.480 3.578 20 0 EHADLO CO[C@H]1CCOc2c(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000344916331 1044681911 /nfs/dbraw/zinc/68/19/11/1044681911.db2.gz WUONJRNKRRQINV-SFHVURJKSA-N 1 2 349.390 3.595 20 0 EHADLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1 ZINC001203908220 1135826628 /nfs/dbraw/zinc/82/66/28/1135826628.db2.gz KKGXAANDGGMSKZ-UHFFFAOYSA-N 1 2 328.250 3.613 20 0 EHADLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1 ZINC001203908220 1135826631 /nfs/dbraw/zinc/82/66/31/1135826631.db2.gz KKGXAANDGGMSKZ-UHFFFAOYSA-N 1 2 328.250 3.613 20 0 EHADLO CCSCc1ccnc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000153522928 1125513959 /nfs/dbraw/zinc/51/39/59/1125513959.db2.gz NSZKHHIHAVKJSK-UHFFFAOYSA-N 1 2 338.436 3.773 20 0 EHADLO COc1ccc([C@H](NC(=O)CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000620409754 1125567230 /nfs/dbraw/zinc/56/72/30/1125567230.db2.gz PYEITDAZOUJQCV-OAQYLSRUSA-N 1 2 349.434 3.578 20 0 EHADLO CC1(C)CCCC[C@@H]1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000154407643 1125717265 /nfs/dbraw/zinc/71/72/65/1125717265.db2.gz GYNMVTOEPLKZEK-QGZVFWFLSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000154474637 1125720726 /nfs/dbraw/zinc/72/07/26/1125720726.db2.gz OVQAHHPZUKRLPS-HDMKZQKVSA-N 1 2 344.434 3.684 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2scnc2Br)CCC1(F)F ZINC001238031730 1126705999 /nfs/dbraw/zinc/70/59/99/1126705999.db2.gz ZTAKEWQCRCJLNR-MRVPVSSYSA-N 1 2 325.222 3.773 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2scnc2Br)CCC1(F)F ZINC001238031730 1126706001 /nfs/dbraw/zinc/70/60/01/1126706001.db2.gz ZTAKEWQCRCJLNR-MRVPVSSYSA-N 1 2 325.222 3.773 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546188 1126715830 /nfs/dbraw/zinc/71/58/30/1126715830.db2.gz LCNALFWBPAJUTK-MRXNPFEDSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546188 1126715833 /nfs/dbraw/zinc/71/58/33/1126715833.db2.gz LCNALFWBPAJUTK-MRXNPFEDSA-N 1 2 334.891 3.641 20 0 EHADLO Fc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000172010786 1126774281 /nfs/dbraw/zinc/77/42/81/1126774281.db2.gz IVXZCPKWODRBGX-SFHVURJKSA-N 1 2 345.439 3.982 20 0 EHADLO Fc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000172010786 1126774284 /nfs/dbraw/zinc/77/42/84/1126774284.db2.gz IVXZCPKWODRBGX-SFHVURJKSA-N 1 2 345.439 3.982 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000339665926 1126846673 /nfs/dbraw/zinc/84/66/73/1126846673.db2.gz OFQORJORJRLIQR-KZULUSFZSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000339665926 1126846676 /nfs/dbraw/zinc/84/66/76/1126846676.db2.gz OFQORJORJRLIQR-KZULUSFZSA-N 1 2 334.847 3.949 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000175131490 1126866413 /nfs/dbraw/zinc/86/64/13/1126866413.db2.gz NOCLPAMWWXXKIL-GOSISDBHSA-N 1 2 335.455 3.548 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000175131490 1126866417 /nfs/dbraw/zinc/86/64/17/1126866417.db2.gz NOCLPAMWWXXKIL-GOSISDBHSA-N 1 2 335.455 3.548 20 0 EHADLO C[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000763829929 1126879882 /nfs/dbraw/zinc/87/98/82/1126879882.db2.gz VVYWNQYDWDHFPT-CYBMUJFWSA-N 1 2 342.345 3.997 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000623121896 1126880588 /nfs/dbraw/zinc/88/05/88/1126880588.db2.gz ROCRADHVVJZWBM-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000623121896 1126880592 /nfs/dbraw/zinc/88/05/92/1126880592.db2.gz ROCRADHVVJZWBM-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000623120855 1126880721 /nfs/dbraw/zinc/88/07/21/1126880721.db2.gz KIHIPAZBSQQVJZ-CYBMUJFWSA-N 1 2 328.378 3.629 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000623120855 1126880723 /nfs/dbraw/zinc/88/07/23/1126880723.db2.gz KIHIPAZBSQQVJZ-CYBMUJFWSA-N 1 2 328.378 3.629 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1(O)CCCCC1 ZINC000175961200 1126889907 /nfs/dbraw/zinc/88/99/07/1126889907.db2.gz URYWLQXDQGJYRK-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)ccc1F ZINC000623232158 1126899287 /nfs/dbraw/zinc/89/92/87/1126899287.db2.gz WQVHNPJFYFVAAI-ZWKOTPCHSA-N 1 2 330.378 3.719 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)o1 ZINC000623256596 1126903519 /nfs/dbraw/zinc/90/35/19/1126903519.db2.gz BPOIVXKJJKBGKO-YOEHRIQHSA-N 1 2 327.428 3.571 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000623271418 1126906424 /nfs/dbraw/zinc/90/64/24/1126906424.db2.gz DFNOMVFMPFRQRY-UHFFFAOYSA-N 1 2 345.349 3.768 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623308277 1126911560 /nfs/dbraw/zinc/91/15/60/1126911560.db2.gz YHPLQRFFWQKRRU-IBGZPJMESA-N 1 2 339.483 3.536 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623308046 1126911830 /nfs/dbraw/zinc/91/18/30/1126911830.db2.gz UBOILPPXTQWJMF-OAHLLOKOSA-N 1 2 339.464 3.552 20 0 EHADLO COc1cc(C[NH2+]Cc2csc(N(C)C)n2)cc(C(F)(F)F)c1 ZINC000623438165 1126952067 /nfs/dbraw/zinc/95/20/67/1126952067.db2.gz OPPXVVOJYVYSDU-UHFFFAOYSA-N 1 2 345.390 3.526 20 0 EHADLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000623486971 1126965346 /nfs/dbraw/zinc/96/53/46/1126965346.db2.gz OUJHOUXOBDUDGC-GOSISDBHSA-N 1 2 328.460 3.731 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1OC1CC1 ZINC000623524256 1126974465 /nfs/dbraw/zinc/97/44/65/1126974465.db2.gz LFHWPTGZOMQYPT-NSHDSACASA-N 1 2 334.366 3.760 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(Br)cc(F)c1O ZINC000185698029 1126987698 /nfs/dbraw/zinc/98/76/98/1126987698.db2.gz CDONFFQHEJUGFD-SCZZXKLOSA-N 1 2 334.254 3.840 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(CCC(C)C)no2)cc1OC ZINC000179623063 1127076180 /nfs/dbraw/zinc/07/61/80/1127076180.db2.gz OMEULJDOLYHBGQ-AWEZNQCLSA-N 1 2 347.459 3.835 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)n1cc[nH+]c1 ZINC001299255251 1127147332 /nfs/dbraw/zinc/14/73/32/1127147332.db2.gz PBWUQFAKCFBGJO-HRCADAONSA-N 1 2 335.492 3.569 20 0 EHADLO CCO[C@H](C)c1noc(CSCc2[nH+]cc(C)c(OC)c2C)n1 ZINC000180391038 1127151673 /nfs/dbraw/zinc/15/16/73/1127151673.db2.gz WVWZBJPBGLMGPF-GFCCVEGCSA-N 1 2 337.445 3.621 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1F ZINC000083128637 1127208859 /nfs/dbraw/zinc/20/88/59/1127208859.db2.gz OIDBYKIZVGCRMG-UHFFFAOYSA-N 1 2 345.330 3.516 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1F ZINC000083128637 1127208861 /nfs/dbraw/zinc/20/88/61/1127208861.db2.gz OIDBYKIZVGCRMG-UHFFFAOYSA-N 1 2 345.330 3.516 20 0 EHADLO C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cscn1 ZINC000624078395 1127247281 /nfs/dbraw/zinc/24/72/81/1127247281.db2.gz GPVKPOMLCZZQDM-GLXFQSAKSA-N 1 2 328.359 3.728 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624106267 1127252686 /nfs/dbraw/zinc/25/26/86/1127252686.db2.gz VAUJTWQQYWQBBH-ZDUSSCGKSA-N 1 2 348.454 3.737 20 0 EHADLO Cc1nc([C@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)cs1 ZINC000624111182 1127253785 /nfs/dbraw/zinc/25/37/85/1127253785.db2.gz PAVBYQKSACWLJE-MRXNPFEDSA-N 1 2 335.436 3.989 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000181011668 1127263591 /nfs/dbraw/zinc/26/35/91/1127263591.db2.gz RDSMNCNXLFOXMR-UHFFFAOYSA-N 1 2 325.378 3.594 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000181011668 1127263595 /nfs/dbraw/zinc/26/35/95/1127263595.db2.gz RDSMNCNXLFOXMR-UHFFFAOYSA-N 1 2 325.378 3.594 20 0 EHADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2csnn2)cc1 ZINC000181256341 1127271418 /nfs/dbraw/zinc/27/14/18/1127271418.db2.gz YPXIQHXKKDYAPY-SFHVURJKSA-N 1 2 343.427 3.759 20 0 EHADLO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181736746 1127293353 /nfs/dbraw/zinc/29/33/53/1127293353.db2.gz SCHNVSBSPHCWGO-LLVKDONJSA-N 1 2 336.794 3.777 20 0 EHADLO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3c(F)cccc3Cl)nc12 ZINC000181763176 1127295236 /nfs/dbraw/zinc/29/52/36/1127295236.db2.gz JPEZDPMWPHHBDB-GFCCVEGCSA-N 1 2 345.805 3.646 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000181936550 1127303922 /nfs/dbraw/zinc/30/39/22/1127303922.db2.gz BLZAGPHDRBNAHA-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1nccn1C ZINC000182412319 1127328452 /nfs/dbraw/zinc/32/84/52/1127328452.db2.gz LBJLAMVCPGMPLG-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO FC(F)(F)c1ccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000182620314 1127339785 /nfs/dbraw/zinc/33/97/85/1127339785.db2.gz VRYUJUBRKNLGFY-MRXNPFEDSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000182620314 1127339788 /nfs/dbraw/zinc/33/97/88/1127339788.db2.gz VRYUJUBRKNLGFY-MRXNPFEDSA-N 1 2 329.362 3.505 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000083455590 1127345018 /nfs/dbraw/zinc/34/50/18/1127345018.db2.gz JBIRKBHZMMIXCW-UHFFFAOYSA-N 1 2 334.485 3.756 20 0 EHADLO Fc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000182909441 1127353361 /nfs/dbraw/zinc/35/33/61/1127353361.db2.gz ARZZJTTXYILTLR-QGTPRVQTSA-N 1 2 327.403 3.771 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000183120537 1127363574 /nfs/dbraw/zinc/36/35/74/1127363574.db2.gz FVWQZPFBHZNMQD-WAIKUNEKSA-N 1 2 346.477 3.613 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2)nc1 ZINC000183386363 1127375105 /nfs/dbraw/zinc/37/51/05/1127375105.db2.gz HIFOFMZVFHBZLX-LJQANCHMSA-N 1 2 336.366 3.829 20 0 EHADLO Cn1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)c(C(F)(F)F)n1 ZINC000183805494 1127387366 /nfs/dbraw/zinc/38/73/66/1127387366.db2.gz OVTJGRQSQKMJCV-HNNXBMFYSA-N 1 2 335.329 3.911 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000184195904 1127397676 /nfs/dbraw/zinc/39/76/76/1127397676.db2.gz CBMUOJCTCUFKAP-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000184277498 1127400203 /nfs/dbraw/zinc/40/02/03/1127400203.db2.gz LDHAHFUBAKCQKZ-VHSXEESVSA-N 1 2 348.497 3.778 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184449529 1127404699 /nfs/dbraw/zinc/40/46/99/1127404699.db2.gz MKEOZQFBNUVMNH-LBPRGKRZSA-N 1 2 331.485 3.651 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184427601 1127404708 /nfs/dbraw/zinc/40/47/08/1127404708.db2.gz UZIKGSXESFSNIQ-QWHCGFSZSA-N 1 2 343.452 3.760 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C)cccc2CC)o1 ZINC000184859153 1127414822 /nfs/dbraw/zinc/41/48/22/1127414822.db2.gz WPBRVFPBNJVYFZ-QGZVFWFLSA-N 1 2 344.455 3.629 20 0 EHADLO Cc1c(COc2ccccc2)cccc1NC(=O)CCc1c[nH+]cn1C ZINC000193418534 1127437444 /nfs/dbraw/zinc/43/74/44/1127437444.db2.gz MLPIRFJTWWOKEU-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO Cc1cc2ncn(C[NH2+]C3(c4ccccc4)CCOCC3)c2cc1C ZINC000764122032 1127447584 /nfs/dbraw/zinc/44/75/84/1127447584.db2.gz RXEKCAJATVIAOR-UHFFFAOYSA-N 1 2 335.451 3.906 20 0 EHADLO O=c1c2ccccc2sn1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000764134568 1127447899 /nfs/dbraw/zinc/44/78/99/1127447899.db2.gz HNVXNVZDKSOLLN-UHFFFAOYSA-N 1 2 346.402 3.968 20 0 EHADLO CC[N@H+](CCc1ccccn1)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000764315631 1127477646 /nfs/dbraw/zinc/47/76/46/1127477646.db2.gz PUSXEQGWABBADK-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO CC[N@@H+](CCc1ccccn1)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000764315631 1127477648 /nfs/dbraw/zinc/47/76/48/1127477648.db2.gz PUSXEQGWABBADK-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccccc2)CC1 ZINC000764926936 1127553702 /nfs/dbraw/zinc/55/37/02/1127553702.db2.gz DQNHAZKVDJKKKB-CQSZACIVSA-N 1 2 331.510 3.824 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000765017231 1127565930 /nfs/dbraw/zinc/56/59/30/1127565930.db2.gz ZMSSILSUDGKRRI-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000765017231 1127565931 /nfs/dbraw/zinc/56/59/31/1127565931.db2.gz ZMSSILSUDGKRRI-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CCC[N@H+](Cc1c(Br)c(C)nn1C)Cc1ccccc1 ZINC000384359579 1127576188 /nfs/dbraw/zinc/57/61/88/1127576188.db2.gz UFGRQYOGHRHAJS-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO CCC[N@@H+](Cc1c(Br)c(C)nn1C)Cc1ccccc1 ZINC000384359579 1127576192 /nfs/dbraw/zinc/57/61/92/1127576192.db2.gz UFGRQYOGHRHAJS-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO c1c(Nc2ccc[nH+]c2N2CCOCC2)onc1C1CCCCC1 ZINC001212349530 1127587973 /nfs/dbraw/zinc/58/79/73/1127587973.db2.gz ANFZSMLDJADSKG-UHFFFAOYSA-N 1 2 328.416 3.698 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000654608102 1127596131 /nfs/dbraw/zinc/59/61/31/1127596131.db2.gz JCPPBBUTESBGLH-QGTPRVQTSA-N 1 2 344.434 3.766 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1OC(F)F ZINC000921519549 1127622848 /nfs/dbraw/zinc/62/28/48/1127622848.db2.gz MRPGOSCDXXBQPM-UHFFFAOYSA-N 1 2 340.370 3.872 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OCC ZINC000010657039 1127632884 /nfs/dbraw/zinc/63/28/84/1127632884.db2.gz QUQZSXVOKUWMTB-UHFFFAOYSA-N 1 2 339.395 3.921 20 0 EHADLO Cc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000018063038 1127672662 /nfs/dbraw/zinc/67/26/62/1127672662.db2.gz GMXFZAHGHQNLEM-UHFFFAOYSA-N 1 2 338.455 3.764 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)CCC(=O)N2 ZINC000921546112 1127695537 /nfs/dbraw/zinc/69/55/37/1127695537.db2.gz NECYBLSICWSLEJ-LBPRGKRZSA-N 1 2 327.428 3.708 20 0 EHADLO CCc1sc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000060440011 1127730685 /nfs/dbraw/zinc/73/06/85/1127730685.db2.gz FREWRXYWSMSOGJ-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO Cc1ccc2nc(Nc3ccc[nH+]c3N3CCOCC3)sc2c1 ZINC001212350054 1127737594 /nfs/dbraw/zinc/73/75/94/1127737594.db2.gz MZSLGAHMJDWOHZ-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728083 1127744953 /nfs/dbraw/zinc/74/49/53/1127744953.db2.gz UINJRPPUBNNPFK-XLIONFOSSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728083 1127744958 /nfs/dbraw/zinc/74/49/58/1127744958.db2.gz UINJRPPUBNNPFK-XLIONFOSSA-N 1 2 339.435 3.789 20 0 EHADLO FC(F)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351030504 1127763745 /nfs/dbraw/zinc/76/37/45/1127763745.db2.gz ZCFSNWCBNLWJOI-ZIAGYGMSSA-N 1 2 335.354 3.600 20 0 EHADLO FC(F)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351030504 1127763748 /nfs/dbraw/zinc/76/37/48/1127763748.db2.gz ZCFSNWCBNLWJOI-ZIAGYGMSSA-N 1 2 335.354 3.600 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000026324489 1127771024 /nfs/dbraw/zinc/77/10/24/1127771024.db2.gz HYAUCIXXJBKRLR-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000026324489 1127771026 /nfs/dbraw/zinc/77/10/26/1127771026.db2.gz HYAUCIXXJBKRLR-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)s1 ZINC000028694953 1127790545 /nfs/dbraw/zinc/79/05/45/1127790545.db2.gz ZVBJUFLYCQWEMU-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1Cc1ccccc1 ZINC000030603435 1127822353 /nfs/dbraw/zinc/82/23/53/1127822353.db2.gz HPRVFSHSKIGLMA-FQEVSTJZSA-N 1 2 331.419 3.720 20 0 EHADLO C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CCC1=O ZINC000338573134 1127840103 /nfs/dbraw/zinc/84/01/03/1127840103.db2.gz ZZEJOVVGNMPFCG-GFCCVEGCSA-N 1 2 334.872 3.891 20 0 EHADLO C[C@@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CCC1=O ZINC000338573134 1127840108 /nfs/dbraw/zinc/84/01/08/1127840108.db2.gz ZZEJOVVGNMPFCG-GFCCVEGCSA-N 1 2 334.872 3.891 20 0 EHADLO Cc1ccc(CSc2nnc3ccc(Br)cn32)c(C)[nH+]1 ZINC000338591254 1127872234 /nfs/dbraw/zinc/87/22/34/1127872234.db2.gz XOWTZDAWUPJOGP-UHFFFAOYSA-N 1 2 349.257 3.796 20 0 EHADLO CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC000045067757 1127945273 /nfs/dbraw/zinc/94/52/73/1127945273.db2.gz YHYWVAQQLICVIC-FQEVSTJZSA-N 1 2 348.450 3.739 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000046879301 1127994049 /nfs/dbraw/zinc/99/40/49/1127994049.db2.gz DHNITYXSIFOQRB-CRAIPNDOSA-N 1 2 328.460 3.748 20 0 EHADLO Nc1cc(Cl)c(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362985 1128009497 /nfs/dbraw/zinc/00/94/97/1128009497.db2.gz YSOLWFCBZOXYLN-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO C[N@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168581125 1128035943 /nfs/dbraw/zinc/03/59/43/1128035943.db2.gz ZSCOOIAHGBDMCD-VHSXEESVSA-N 1 2 346.340 3.514 20 0 EHADLO C[N@@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168581125 1128035948 /nfs/dbraw/zinc/03/59/48/1128035948.db2.gz ZSCOOIAHGBDMCD-VHSXEESVSA-N 1 2 346.340 3.514 20 0 EHADLO c1ccc(-c2ccncc2)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212366121 1128040180 /nfs/dbraw/zinc/04/01/80/1128040180.db2.gz BPCGPYIDHSTNDF-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Clc1ccnc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc12 ZINC001212366398 1128041298 /nfs/dbraw/zinc/04/12/98/1128041298.db2.gz NKJDUMWVALTCHP-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000057264887 1128043474 /nfs/dbraw/zinc/04/34/74/1128043474.db2.gz JIWREQPVSBHHQT-CJNGLKHVSA-N 1 2 334.489 3.810 20 0 EHADLO CCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000057612281 1128053735 /nfs/dbraw/zinc/05/37/35/1128053735.db2.gz BUBSEMVVBZDUDE-HNNXBMFYSA-N 1 2 341.858 3.667 20 0 EHADLO FC(F)(F)CN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000058474653 1128069251 /nfs/dbraw/zinc/06/92/51/1128069251.db2.gz HKGPMABVSZBETH-UHFFFAOYSA-N 1 2 338.826 3.612 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(F)c2F)c1C ZINC000058647080 1128075446 /nfs/dbraw/zinc/07/54/46/1128075446.db2.gz OJBQUBHLEFMAPA-UHFFFAOYSA-N 1 2 335.354 3.649 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cccc2)cc1 ZINC000060013782 1128092024 /nfs/dbraw/zinc/09/20/24/1128092024.db2.gz ZNTNHXLXNRSWTQ-UHFFFAOYSA-N 1 2 342.402 3.593 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nn1 ZINC000347594383 1128126398 /nfs/dbraw/zinc/12/63/98/1128126398.db2.gz SIXXXWDTELXWQV-UHFFFAOYSA-N 1 2 346.434 3.571 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nn1 ZINC000347594383 1128126399 /nfs/dbraw/zinc/12/63/99/1128126399.db2.gz SIXXXWDTELXWQV-UHFFFAOYSA-N 1 2 346.434 3.571 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000062422765 1128134641 /nfs/dbraw/zinc/13/46/41/1128134641.db2.gz CXYLVLORDNKDBN-GOSISDBHSA-N 1 2 332.394 3.664 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000063253809 1128140668 /nfs/dbraw/zinc/14/06/68/1128140668.db2.gz NAUWXIYQJSIJOT-MRXNPFEDSA-N 1 2 349.434 3.821 20 0 EHADLO Fc1cc(CNc2ncnc3ccsc32)ccc1-n1cc[nH+]c1 ZINC000063254642 1128140788 /nfs/dbraw/zinc/14/07/88/1128140788.db2.gz PCLNAEOREYYGBL-UHFFFAOYSA-N 1 2 325.372 3.628 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1Oc1ccccc1 ZINC000063707158 1128152827 /nfs/dbraw/zinc/15/28/27/1128152827.db2.gz QCTXYPPDBUGEKM-UHFFFAOYSA-N 1 2 333.391 3.716 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000065515685 1128193098 /nfs/dbraw/zinc/19/30/98/1128193098.db2.gz NBPBNEVQCKOBQI-UHFFFAOYSA-N 1 2 348.450 3.861 20 0 EHADLO Cc1cc(C)cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000067680644 1128246406 /nfs/dbraw/zinc/24/64/06/1128246406.db2.gz MWBTZDQTEGCAIW-UHFFFAOYSA-N 1 2 335.407 3.831 20 0 EHADLO CCCc1noc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400553 1128240890 /nfs/dbraw/zinc/24/08/90/1128240890.db2.gz DHUCRHUAPHYTMT-SFHVURJKSA-N 1 2 349.862 3.621 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000068795051 1128275792 /nfs/dbraw/zinc/27/57/92/1128275792.db2.gz NAUWXIYQJSIJOT-INIZCTEOSA-N 1 2 349.434 3.821 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([NH2+]C(C)(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001168602395 1128280966 /nfs/dbraw/zinc/28/09/66/1128280966.db2.gz SRMWSEAHNRQOIS-WBVHZDCISA-N 1 2 349.471 3.625 20 0 EHADLO CN1CC[N@H+](Cc2csc(-c3ccco3)n2)Cc2ccccc21 ZINC000069611009 1128288360 /nfs/dbraw/zinc/28/83/60/1128288360.db2.gz RVHOOXMMUSXBOH-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CN1CC[N@@H+](Cc2csc(-c3ccco3)n2)Cc2ccccc21 ZINC000069611009 1128288362 /nfs/dbraw/zinc/28/83/62/1128288362.db2.gz RVHOOXMMUSXBOH-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000072946668 1128311669 /nfs/dbraw/zinc/31/16/69/1128311669.db2.gz VBPGTMFJKAXUKU-UHFFFAOYSA-N 1 2 333.794 3.729 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000073119826 1128316891 /nfs/dbraw/zinc/31/68/91/1128316891.db2.gz GDQYEHXHNZIZJF-GOSISDBHSA-N 1 2 339.826 3.637 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000073171586 1128317884 /nfs/dbraw/zinc/31/78/84/1128317884.db2.gz GRXSQQSUCIPIEK-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(SCc2cccnc2)cc1 ZINC000073870541 1128330516 /nfs/dbraw/zinc/33/05/16/1128330516.db2.gz MNOVOACAIFTZSV-UHFFFAOYSA-N 1 2 338.436 3.599 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(F)ccc3NC(C)C)[nH+]c12 ZINC000074255462 1128337349 /nfs/dbraw/zinc/33/73/49/1128337349.db2.gz SHDKAUWRCCYHGE-UHFFFAOYSA-N 1 2 340.402 3.783 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(Oc3cccnc3)nc2)cc(C)[nH+]1 ZINC001670913700 1128345952 /nfs/dbraw/zinc/34/59/52/1128345952.db2.gz RROBEUXBDAQFJO-UHFFFAOYSA-N 1 2 349.394 3.602 20 0 EHADLO C[C@@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C(F)(F)F ZINC000624467948 1128369766 /nfs/dbraw/zinc/36/97/66/1128369766.db2.gz LVLJZOQRGNYSOX-NSHDSACASA-N 1 2 336.317 3.722 20 0 EHADLO CCc1cc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)ccc1F ZINC000671858969 1128429758 /nfs/dbraw/zinc/42/97/58/1128429758.db2.gz JVZCKNRNTOPQST-UHFFFAOYSA-N 1 2 347.340 3.963 20 0 EHADLO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2scnc2Cl)CC1 ZINC001137816128 1128433168 /nfs/dbraw/zinc/43/31/68/1128433168.db2.gz MVJQZCYWXYFPRQ-UHFFFAOYSA-N 1 2 343.279 3.934 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)cn1 ZINC000921653256 1128436172 /nfs/dbraw/zinc/43/61/72/1128436172.db2.gz KHAMULVGAXVLJI-UHFFFAOYSA-N 1 2 337.427 3.572 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H](C)[C@H]3CCCO3)cc2)[nH+]c1C ZINC000921655320 1128437467 /nfs/dbraw/zinc/43/74/67/1128437467.db2.gz QMYIAMTYGJPYES-YVEFUNNKSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccn(C(C)(C)C)n3)cc2)[nH+]c1C ZINC000921655252 1128437575 /nfs/dbraw/zinc/43/75/75/1128437575.db2.gz QCLZKOABRLGALC-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)c4cccn43)cc2)[nH+]c1C ZINC000921659605 1128439279 /nfs/dbraw/zinc/43/92/79/1128439279.db2.gz NYZRFUWKALKKIQ-QGZVFWFLSA-N 1 2 348.406 3.651 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CC[C@H](C)O3)cc2)[nH+]c1C ZINC000921662774 1128440344 /nfs/dbraw/zinc/44/03/44/1128440344.db2.gz ZDKXMGZPCRTGLK-YVEFUNNKSA-N 1 2 327.428 3.980 20 0 EHADLO CCn1nc(C)c(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)c1C ZINC000921663053 1128440887 /nfs/dbraw/zinc/44/08/87/1128440887.db2.gz PHSJBPXNSJCOSG-UHFFFAOYSA-N 1 2 337.427 3.779 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)n1 ZINC000921666690 1128445632 /nfs/dbraw/zinc/44/56/32/1128445632.db2.gz HJTNRYOGVFMDEW-INIZCTEOSA-N 1 2 342.361 3.512 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccn(CC(C)C)n3)cc2)[nH+]c1C ZINC000921667506 1128447174 /nfs/dbraw/zinc/44/71/74/1128447174.db2.gz HIPMPMSQCLFVEW-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO C/C(=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000056872670 1128448812 /nfs/dbraw/zinc/44/88/12/1128448812.db2.gz HSCLOLIZXITZKI-ATVHPVEESA-N 1 2 331.419 3.651 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)c(C)c1OC ZINC000347629973 1128457434 /nfs/dbraw/zinc/45/74/34/1128457434.db2.gz AQBGHVNSOHLMHI-OLZOCXBDSA-N 1 2 333.432 3.930 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)CC2 ZINC000347632139 1128462061 /nfs/dbraw/zinc/46/20/61/1128462061.db2.gz QNTQHFRIVOEKPW-UHFFFAOYSA-N 1 2 345.462 3.961 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)CC2 ZINC000347632139 1128462063 /nfs/dbraw/zinc/46/20/63/1128462063.db2.gz QNTQHFRIVOEKPW-UHFFFAOYSA-N 1 2 345.462 3.961 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000130807440 1128483178 /nfs/dbraw/zinc/48/31/78/1128483178.db2.gz RDUJUIFFDVMWRT-QGZVFWFLSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000347640674 1128503660 /nfs/dbraw/zinc/50/36/60/1128503660.db2.gz QFNWBDMZXKRTDL-BETUJISGSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000347640674 1128503662 /nfs/dbraw/zinc/50/36/62/1128503662.db2.gz QFNWBDMZXKRTDL-BETUJISGSA-N 1 2 339.361 3.500 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000282291569 1128511442 /nfs/dbraw/zinc/51/14/42/1128511442.db2.gz LNCRJOWKWZKSLG-MRXNPFEDSA-N 1 2 341.430 3.687 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265716466 1128521263 /nfs/dbraw/zinc/52/12/63/1128521263.db2.gz XMUNQLIXKXSKPW-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000055696754 1128527310 /nfs/dbraw/zinc/52/73/10/1128527310.db2.gz WADKVISYSAZBCY-MAUKXSAKSA-N 1 2 349.434 3.838 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4sccc4[C@H]3C)ccc2[nH+]1 ZINC000265718816 1128528778 /nfs/dbraw/zinc/52/87/78/1128528778.db2.gz NZANWWGGXBEKLR-GFCCVEGCSA-N 1 2 326.425 3.855 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1C(F)(F)F ZINC000056531929 1128563163 /nfs/dbraw/zinc/56/31/63/1128563163.db2.gz REJXMUPDJZHRKH-UHFFFAOYSA-N 1 2 326.322 3.504 20 0 EHADLO CCOc1ccc(Oc2cc(C[NH2+][C@H](C)c3ncc[nH]3)ccn2)cc1 ZINC000353442869 1128565940 /nfs/dbraw/zinc/56/59/40/1128565940.db2.gz RTVYPQKXXXPAAZ-CQSZACIVSA-N 1 2 338.411 3.847 20 0 EHADLO COc1ccc([C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)cc1F ZINC000624739781 1128566693 /nfs/dbraw/zinc/56/66/93/1128566693.db2.gz YQGVNTSHGPVNBE-HNNXBMFYSA-N 1 2 327.403 3.804 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000542823501 1128666558 /nfs/dbraw/zinc/66/65/58/1128666558.db2.gz HCLOXPVMXACKMK-UHFFFAOYSA-N 1 2 332.831 3.932 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000542823501 1128666560 /nfs/dbraw/zinc/66/65/60/1128666560.db2.gz HCLOXPVMXACKMK-UHFFFAOYSA-N 1 2 332.831 3.932 20 0 EHADLO COc1cccc2c1OCCC[C@H]2NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000921736996 1128689805 /nfs/dbraw/zinc/68/98/05/1128689805.db2.gz PQEVFZNNMCKRPA-MRXNPFEDSA-N 1 2 340.423 3.659 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000509987110 1128695495 /nfs/dbraw/zinc/69/54/95/1128695495.db2.gz STXUYGNHKJUINE-UHFFFAOYSA-N 1 2 331.847 3.991 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000509987110 1128695499 /nfs/dbraw/zinc/69/54/99/1128695499.db2.gz STXUYGNHKJUINE-UHFFFAOYSA-N 1 2 331.847 3.991 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ccnc4ccncc43)CC2)cc1 ZINC000085688498 1128715524 /nfs/dbraw/zinc/71/55/24/1128715524.db2.gz CVSMOFDPLAZVEG-UHFFFAOYSA-N 1 2 347.466 3.777 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000060471336 1128732212 /nfs/dbraw/zinc/73/22/12/1128732212.db2.gz PKKNBALDEPOJQP-CYBMUJFWSA-N 1 2 336.888 3.880 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000060471336 1128732210 /nfs/dbraw/zinc/73/22/10/1128732210.db2.gz PKKNBALDEPOJQP-CYBMUJFWSA-N 1 2 336.888 3.880 20 0 EHADLO Cc1cccc(CCCNc2cccc(C(=O)OC(C)(C)C)n2)[nH+]1 ZINC000338720987 1128754414 /nfs/dbraw/zinc/75/44/14/1128754414.db2.gz FQVMWKPLRWXVLM-UHFFFAOYSA-N 1 2 327.428 3.785 20 0 EHADLO CSc1ccc(F)cc1C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921807358 1128779151 /nfs/dbraw/zinc/77/91/51/1128779151.db2.gz OZQSAAIHSDTSFK-UHFFFAOYSA-N 1 2 348.472 3.694 20 0 EHADLO C[C@@]1(CNc2cc(N3CCSCC3)nc[nH+]2)C[C@@H]1c1ccccc1 ZINC000338734266 1128784202 /nfs/dbraw/zinc/78/42/02/1128784202.db2.gz AJDNZRHBFDGLPM-APWZRJJASA-N 1 2 340.496 3.636 20 0 EHADLO C[C@@]1(CNc2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1c1ccccc1 ZINC000338734266 1128784204 /nfs/dbraw/zinc/78/42/04/1128784204.db2.gz AJDNZRHBFDGLPM-APWZRJJASA-N 1 2 340.496 3.636 20 0 EHADLO OC[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000542881906 1128787637 /nfs/dbraw/zinc/78/76/37/1128787637.db2.gz VXTLJDBQNAIIMA-AWEZNQCLSA-N 1 2 336.313 3.670 20 0 EHADLO Fc1cc(F)c(F)c(C[NH2+]Cc2cnn(CC3CCC3)c2)c1F ZINC000921821041 1128789778 /nfs/dbraw/zinc/78/97/78/1128789778.db2.gz NCWHPCZOAHHEBO-UHFFFAOYSA-N 1 2 327.325 3.529 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(C2CCCCC2)CCCCC1 ZINC000672149266 1128803825 /nfs/dbraw/zinc/80/38/25/1128803825.db2.gz KFEHCTRPZUAWGC-QGZVFWFLSA-N 1 2 329.488 3.845 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000062157938 1128804270 /nfs/dbraw/zinc/80/42/70/1128804270.db2.gz ZPFWJSJUPHAWSD-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO Cc1cc(N2CCCCCC2)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000672161394 1128826929 /nfs/dbraw/zinc/82/69/29/1128826929.db2.gz XHJZOZKQCQSEHO-UHFFFAOYSA-N 1 2 340.471 3.991 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1cc(Cl)cc(Cl)c1 ZINC001670378084 1120066079 /nfs/dbraw/zinc/06/60/79/1120066079.db2.gz WTTPUHDOKQMRSZ-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO CC[C@H]1CCC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001670571202 1120087130 /nfs/dbraw/zinc/08/71/30/1120087130.db2.gz FDWJQVNAPWEABA-BBRMVZONSA-N 1 2 346.862 3.904 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)n1 ZINC000075899373 1128890222 /nfs/dbraw/zinc/89/02/22/1128890222.db2.gz AIBXBLJSSKXKNI-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)[C@@H](CCO)c2ccccc2)n1 ZINC000075899373 1128890224 /nfs/dbraw/zinc/89/02/24/1128890224.db2.gz AIBXBLJSSKXKNI-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC001687360960 1120176193 /nfs/dbraw/zinc/17/61/93/1120176193.db2.gz MPFZLWGZTJASTG-GOSISDBHSA-N 1 2 341.842 3.552 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC001687360960 1120176194 /nfs/dbraw/zinc/17/61/94/1120176194.db2.gz MPFZLWGZTJASTG-GOSISDBHSA-N 1 2 341.842 3.552 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc(OC(F)F)cc2)c1 ZINC000130085700 1120223673 /nfs/dbraw/zinc/22/36/73/1120223673.db2.gz QBWMUAJFOXUTQY-UHFFFAOYSA-N 1 2 340.395 3.521 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Cc2ccccc2)CC1 ZINC000176986559 1120309924 /nfs/dbraw/zinc/30/99/24/1120309924.db2.gz FKEBYSQBLMOZNA-UHFFFAOYSA-N 1 2 349.409 3.651 20 0 EHADLO CCC[C@H]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001687423731 1120336153 /nfs/dbraw/zinc/33/61/53/1120336153.db2.gz DSXCBCOIYAHVQC-PKOBYXMFSA-N 1 2 340.471 3.846 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000355265808 1128909578 /nfs/dbraw/zinc/90/95/78/1128909578.db2.gz MPKIKJGAKJVQJM-UHFFFAOYSA-N 1 2 325.456 3.699 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000185235999 1120405449 /nfs/dbraw/zinc/40/54/49/1120405449.db2.gz SPQQHHIOCSIZPY-USXIJHARSA-N 1 2 343.471 3.903 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000185582453 1120420647 /nfs/dbraw/zinc/42/06/47/1120420647.db2.gz WVKPVYUIRDBHLF-MRXNPFEDSA-N 1 2 341.455 3.630 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000185582453 1120420651 /nfs/dbraw/zinc/42/06/51/1120420651.db2.gz WVKPVYUIRDBHLF-MRXNPFEDSA-N 1 2 341.455 3.630 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)NCc1ccc(Cl)s1 ZINC000186165595 1120447090 /nfs/dbraw/zinc/44/70/90/1120447090.db2.gz MVEJZNPKZHGJQL-UHFFFAOYSA-N 1 2 346.883 3.565 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)NCc1ccc(Cl)s1 ZINC000186165595 1120447091 /nfs/dbraw/zinc/44/70/91/1120447091.db2.gz MVEJZNPKZHGJQL-UHFFFAOYSA-N 1 2 346.883 3.565 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)c2c(O)cccc21 ZINC000186330139 1120455120 /nfs/dbraw/zinc/45/51/20/1120455120.db2.gz QKLCZTOWGSZSEJ-CQSZACIVSA-N 1 2 333.391 3.732 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186569388 1120466172 /nfs/dbraw/zinc/46/61/72/1120466172.db2.gz BFNWQRBRQPIZDC-GHTZIAJQSA-N 1 2 343.515 3.829 20 0 EHADLO Cc1cc(C)c([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1C ZINC000393348967 1120511436 /nfs/dbraw/zinc/51/14/36/1120511436.db2.gz OZHCCEAVATUPJF-ZDUSSCGKSA-N 1 2 336.277 3.959 20 0 EHADLO C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1nccn1C ZINC000494440446 1120566734 /nfs/dbraw/zinc/56/67/34/1120566734.db2.gz XQFQWQDUKHTROW-CABZTGNLSA-N 1 2 338.274 3.680 20 0 EHADLO FC(F)(F)C(F)(F)COCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000189659128 1120603981 /nfs/dbraw/zinc/60/39/81/1120603981.db2.gz DBKDUNRQGMDOAT-UHFFFAOYSA-N 1 2 348.315 3.740 20 0 EHADLO FC(F)(F)C(F)(F)COCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000189659128 1120603984 /nfs/dbraw/zinc/60/39/84/1120603984.db2.gz DBKDUNRQGMDOAT-UHFFFAOYSA-N 1 2 348.315 3.740 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000190241095 1120630890 /nfs/dbraw/zinc/63/08/90/1120630890.db2.gz IUASNMNZLHKVTC-QGZVFWFLSA-N 1 2 333.391 3.841 20 0 EHADLO CCc1cc(O)ccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000191096925 1120661444 /nfs/dbraw/zinc/66/14/44/1120661444.db2.gz LZFYHJMNGPXAOF-BJMVGYQFSA-N 1 2 333.391 3.792 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241353 1120665246 /nfs/dbraw/zinc/66/52/46/1120665246.db2.gz CZOMBTMEGBSXKK-OAHLLOKOSA-N 1 2 342.405 3.842 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241353 1120665247 /nfs/dbraw/zinc/66/52/47/1120665247.db2.gz CZOMBTMEGBSXKK-OAHLLOKOSA-N 1 2 342.405 3.842 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000191657615 1120684109 /nfs/dbraw/zinc/68/41/09/1120684109.db2.gz GHXZJHNQKLGSFM-QGZVFWFLSA-N 1 2 347.455 3.638 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000191657615 1120684114 /nfs/dbraw/zinc/68/41/14/1120684114.db2.gz GHXZJHNQKLGSFM-QGZVFWFLSA-N 1 2 347.455 3.638 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000153106067 1120687621 /nfs/dbraw/zinc/68/76/21/1120687621.db2.gz MJWWHXRMFLQFAQ-CQSZACIVSA-N 1 2 340.562 3.876 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000153106067 1120687623 /nfs/dbraw/zinc/68/76/23/1120687623.db2.gz MJWWHXRMFLQFAQ-CQSZACIVSA-N 1 2 340.562 3.876 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000494644447 1120712090 /nfs/dbraw/zinc/71/20/90/1120712090.db2.gz BNERSQVTWHFPFX-AWEZNQCLSA-N 1 2 332.400 3.674 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494690389 1120722293 /nfs/dbraw/zinc/72/22/93/1120722293.db2.gz KKXQGGMBKLYZGN-GXTWGEPZSA-N 1 2 333.457 3.750 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494690389 1120722298 /nfs/dbraw/zinc/72/22/98/1120722298.db2.gz KKXQGGMBKLYZGN-GXTWGEPZSA-N 1 2 333.457 3.750 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494702791 1120726456 /nfs/dbraw/zinc/72/64/56/1120726456.db2.gz KHKFDMQEUAAMJX-ZBFHGGJFSA-N 1 2 348.512 3.627 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494702791 1120726461 /nfs/dbraw/zinc/72/64/61/1120726461.db2.gz KHKFDMQEUAAMJX-ZBFHGGJFSA-N 1 2 348.512 3.627 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](C)c2ccccc2)c1C ZINC000195004258 1120759683 /nfs/dbraw/zinc/75/96/83/1120759683.db2.gz KFNQVIOSVZZSSZ-CQSZACIVSA-N 1 2 326.440 3.859 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193764956 1120796755 /nfs/dbraw/zinc/79/67/55/1120796755.db2.gz ILGHZRRABLBSRR-SFHVURJKSA-N 1 2 325.456 3.764 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)c1ccccc1F ZINC000195732572 1120813945 /nfs/dbraw/zinc/81/39/45/1120813945.db2.gz OMVQCBSZSYQXAR-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)c1ccccc1F ZINC000195732572 1120813948 /nfs/dbraw/zinc/81/39/48/1120813948.db2.gz OMVQCBSZSYQXAR-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cnc(-c3ccco3)s2)CCCCC1 ZINC000194394688 1120840588 /nfs/dbraw/zinc/84/05/88/1120840588.db2.gz CSISSDPMOBMDQQ-UHFFFAOYSA-N 1 2 334.441 3.711 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cnc(-c3ccco3)s2)CCCCC1 ZINC000194394688 1120840592 /nfs/dbraw/zinc/84/05/92/1120840592.db2.gz CSISSDPMOBMDQQ-UHFFFAOYSA-N 1 2 334.441 3.711 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)on1 ZINC000741259497 1120873079 /nfs/dbraw/zinc/87/30/79/1120873079.db2.gz ZTPNXWRNMUWFNO-UHFFFAOYSA-N 1 2 344.846 3.733 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCO1 ZINC000494977541 1120925913 /nfs/dbraw/zinc/92/59/13/1120925913.db2.gz SGYSOSXDXXYAEO-FGTMMUONSA-N 1 2 334.508 4.000 20 0 EHADLO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000495066182 1120942518 /nfs/dbraw/zinc/94/25/18/1120942518.db2.gz LCDYKDRDVQQDEK-BEFAXECRSA-N 1 2 342.487 3.903 20 0 EHADLO Clc1ccc(CN2CC[NH+](C/C=C\c3ccncc3)CC2)s1 ZINC000495077493 1120947584 /nfs/dbraw/zinc/94/75/84/1120947584.db2.gz FQGGMYOLYYBJEV-UPHRSURJSA-N 1 2 333.888 3.628 20 0 EHADLO CSc1c[nH]c2nc[nH+]c(N[C@H](c3ccccn3)C(F)(F)F)c12 ZINC001168481007 1120992878 /nfs/dbraw/zinc/99/28/78/1120992878.db2.gz PMDQQVSYOGRCGO-LLVKDONJSA-N 1 2 339.346 3.790 20 0 EHADLO FC(F)(F)c1nc2ccccc2c(NCc2ccn3cc[nH+]c3c2)n1 ZINC000761932322 1121011807 /nfs/dbraw/zinc/01/18/07/1121011807.db2.gz LYFHJKASDKHGPG-UHFFFAOYSA-N 1 2 343.312 3.908 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cccc(Oc3ccccn3)c2)[nH]1 ZINC000921947447 1128961257 /nfs/dbraw/zinc/96/12/57/1128961257.db2.gz VDNBPSWYSFRFQK-CQSZACIVSA-N 1 2 337.427 3.966 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1OC(F)F ZINC000157076964 1128966844 /nfs/dbraw/zinc/96/68/44/1128966844.db2.gz WHIDPOJLEJMUFC-SNVBAGLBSA-N 1 2 327.400 3.661 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cncc(Cl)n2)CC1 ZINC000053557472 1121176067 /nfs/dbraw/zinc/17/60/67/1121176067.db2.gz FIYIAQJEXLRMIH-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO COc1cccc(C(F)(F)F)c1CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001168488462 1121225517 /nfs/dbraw/zinc/22/55/17/1121225517.db2.gz CNGMKKPDOVOVHU-UHFFFAOYSA-N 1 2 340.280 3.688 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C3CC3)C3CCCC3)c2=S)c(C)c1 ZINC000915208323 1121253501 /nfs/dbraw/zinc/25/35/01/1121253501.db2.gz JEBVFRODJALVCA-UHFFFAOYSA-N 1 2 343.500 3.780 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C3CC3)C3CCCC3)c2=S)c(C)c1 ZINC000915208323 1121253507 /nfs/dbraw/zinc/25/35/07/1121253507.db2.gz JEBVFRODJALVCA-UHFFFAOYSA-N 1 2 343.500 3.780 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3OC)oc2=S)C1 ZINC000915209701 1121253666 /nfs/dbraw/zinc/25/36/66/1121253666.db2.gz RUAUWWBHUKWTBR-CYBMUJFWSA-N 1 2 333.457 3.961 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3OC)oc2=S)C1 ZINC000915209701 1121253670 /nfs/dbraw/zinc/25/36/70/1121253670.db2.gz RUAUWWBHUKWTBR-CYBMUJFWSA-N 1 2 333.457 3.961 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](C)Cc3ccc(Cl)c(F)c3)c2c1 ZINC000762502616 1121330830 /nfs/dbraw/zinc/33/08/30/1121330830.db2.gz NFRKQBATQVBQRY-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](C)Cc3ccc(Cl)c(F)c3)c2c1 ZINC000762502616 1121330839 /nfs/dbraw/zinc/33/08/39/1121330839.db2.gz NFRKQBATQVBQRY-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO Cc1ccc(SCCC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127365897 1121400744 /nfs/dbraw/zinc/40/07/44/1121400744.db2.gz QTXRTDQVSKKXOW-UHFFFAOYSA-N 1 2 329.469 3.885 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000171677208 1121413612 /nfs/dbraw/zinc/41/36/12/1121413612.db2.gz UDMJKRBLLZOGBT-CYBMUJFWSA-N 1 2 328.441 3.548 20 0 EHADLO Fc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1N1CCCC1 ZINC000237705359 1121492573 /nfs/dbraw/zinc/49/25/73/1121492573.db2.gz RJJUYRYNECBZBO-UHFFFAOYSA-N 1 2 340.446 3.902 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)cn1 ZINC000542573198 1121506772 /nfs/dbraw/zinc/50/67/72/1121506772.db2.gz FGXYSYUVMVCTAP-KGLIPLIRSA-N 1 2 325.416 3.926 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749939277 1121628352 /nfs/dbraw/zinc/62/83/52/1121628352.db2.gz ONXFMRDGTRDGTN-HZPDHXFCSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749939277 1121628355 /nfs/dbraw/zinc/62/83/55/1121628355.db2.gz ONXFMRDGTRDGTN-HZPDHXFCSA-N 1 2 340.389 3.886 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000749939042 1121636649 /nfs/dbraw/zinc/63/66/49/1121636649.db2.gz VJBNBZZQWJZHEH-ZDUSSCGKSA-N 1 2 342.386 3.593 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000749939042 1121636651 /nfs/dbraw/zinc/63/66/51/1121636651.db2.gz VJBNBZZQWJZHEH-ZDUSSCGKSA-N 1 2 342.386 3.593 20 0 EHADLO Clc1c(Br)cccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001235602845 1121647562 /nfs/dbraw/zinc/64/75/62/1121647562.db2.gz CLSRRKNUTQPXCG-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1c(Br)cccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001235602845 1121647567 /nfs/dbraw/zinc/64/75/67/1121647567.db2.gz CLSRRKNUTQPXCG-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO CC(C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370834 1121708934 /nfs/dbraw/zinc/70/89/34/1121708934.db2.gz AKNHCQVDEHNIEQ-OAHLLOKOSA-N 1 2 341.858 3.571 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2cccn3cc[nH+]c23)c(OC)c1 ZINC001212461684 1129004517 /nfs/dbraw/zinc/00/45/17/1129004517.db2.gz GXUUFIDBFGOVFY-UHFFFAOYSA-N 1 2 338.411 3.569 20 0 EHADLO CCc1sc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000053896751 1121725268 /nfs/dbraw/zinc/72/52/68/1121725268.db2.gz SPUHYGZJNKUUPZ-UHFFFAOYSA-N 1 2 339.464 3.794 20 0 EHADLO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053944882 1121726118 /nfs/dbraw/zinc/72/61/18/1121726118.db2.gz KBQMLMXWRJSJAG-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO O=C(c1cccs1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053944882 1121726127 /nfs/dbraw/zinc/72/61/27/1121726127.db2.gz KBQMLMXWRJSJAG-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347453844 1121794236 /nfs/dbraw/zinc/79/42/36/1121794236.db2.gz MSKPURIKMQQPAQ-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO COc1ccc(NC(=O)CC[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347453844 1121794239 /nfs/dbraw/zinc/79/42/39/1121794239.db2.gz MSKPURIKMQQPAQ-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055618784 1121853596 /nfs/dbraw/zinc/85/35/96/1121853596.db2.gz FTGRWUYRWPHTTI-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444136838 1121874472 /nfs/dbraw/zinc/87/44/72/1121874472.db2.gz YRUCAMDQUMHCAD-DLBZAZTESA-N 1 2 334.508 3.916 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000763220612 1121908282 /nfs/dbraw/zinc/90/82/82/1121908282.db2.gz NNUFEWAYGMLKLU-HNNXBMFYSA-N 1 2 347.528 3.765 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000763220612 1121908288 /nfs/dbraw/zinc/90/82/88/1121908288.db2.gz NNUFEWAYGMLKLU-HNNXBMFYSA-N 1 2 347.528 3.765 20 0 EHADLO Fc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c(F)c1Cl ZINC001168506600 1121909572 /nfs/dbraw/zinc/90/95/72/1121909572.db2.gz XKLXRRMZZDWDCJ-UHFFFAOYSA-N 1 2 334.757 3.870 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@@H](CC(C)C)CC1=O)CCC2 ZINC000763222946 1121910818 /nfs/dbraw/zinc/91/08/18/1121910818.db2.gz XLJUFGWQSMWSFU-HOCLYGCPSA-N 1 2 349.544 3.867 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O)CCC2 ZINC000763222946 1121910825 /nfs/dbraw/zinc/91/08/25/1121910825.db2.gz XLJUFGWQSMWSFU-HOCLYGCPSA-N 1 2 349.544 3.867 20 0 EHADLO C[C@H](CNC(=O)CSc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000153388296 1121949344 /nfs/dbraw/zinc/94/93/44/1121949344.db2.gz PBVVGWHCSLNUEU-OAHLLOKOSA-N 1 2 345.512 3.725 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1cccc(Cl)c1 ZINC000763331266 1121962356 /nfs/dbraw/zinc/96/23/56/1121962356.db2.gz FUMKLMKZQXEXNF-AWEZNQCLSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1cccc(Cl)c1 ZINC000763331266 1121962363 /nfs/dbraw/zinc/96/23/63/1121962363.db2.gz FUMKLMKZQXEXNF-AWEZNQCLSA-N 1 2 348.903 3.961 20 0 EHADLO CC(C)c1ccc(NC(=S)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000916010056 1122027778 /nfs/dbraw/zinc/02/77/78/1122027778.db2.gz CNOZUGZELDHGBG-UHFFFAOYSA-N 1 2 342.512 3.872 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000496233564 1122028572 /nfs/dbraw/zinc/02/85/72/1122028572.db2.gz CLUVUFVLUBAIAU-UHFFFAOYSA-N 1 2 339.355 3.547 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccncc1Cl ZINC000496271096 1122042860 /nfs/dbraw/zinc/04/28/60/1122042860.db2.gz DUPVJEAYDAEUSK-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccncc1Cl ZINC000496271096 1122042866 /nfs/dbraw/zinc/04/28/66/1122042866.db2.gz DUPVJEAYDAEUSK-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC000916091777 1122044914 /nfs/dbraw/zinc/04/49/14/1122044914.db2.gz ZXNHALRQLUTCFZ-AWEZNQCLSA-N 1 2 331.847 3.709 20 0 EHADLO COc1ccccc1CC(C)(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000496316643 1122053502 /nfs/dbraw/zinc/05/35/02/1122053502.db2.gz XHHDTQLFDDENDU-UHFFFAOYSA-N 1 2 337.423 3.859 20 0 EHADLO C[C@@H](C(=O)[C@H](C#N)c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000153888718 1122088076 /nfs/dbraw/zinc/08/80/76/1122088076.db2.gz PFHQHWPRRLSKID-FXAWDEMLSA-N 1 2 347.462 3.601 20 0 EHADLO O=C(OCc1nc2ccccc2s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916332523 1122129473 /nfs/dbraw/zinc/12/94/73/1122129473.db2.gz ZBNUCHRWEZBWNL-UHFFFAOYSA-N 1 2 349.415 3.898 20 0 EHADLO CSCc1nnc(SCc2c[nH+]c(N(C)C)c3ccccc23)o1 ZINC000916500335 1122170186 /nfs/dbraw/zinc/17/01/86/1122170186.db2.gz PCYTUCLHQQYWEB-UHFFFAOYSA-N 1 2 346.481 3.839 20 0 EHADLO Cc1nc(F)ccc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000497036915 1122252943 /nfs/dbraw/zinc/25/29/43/1122252943.db2.gz OOTPVKBWUDEOLK-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(C4CCCC4)no3)CC2)cs1 ZINC000171795098 1122317322 /nfs/dbraw/zinc/31/73/22/1122317322.db2.gz JTWZFJQDJMATMW-UHFFFAOYSA-N 1 2 332.473 3.872 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000126420883 1122405760 /nfs/dbraw/zinc/40/57/60/1122405760.db2.gz MKCQTAKLTJBNCY-KBXCAEBGSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000126420883 1122405763 /nfs/dbraw/zinc/40/57/63/1122405763.db2.gz MKCQTAKLTJBNCY-KBXCAEBGSA-N 1 2 329.396 3.509 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000126698584 1122419908 /nfs/dbraw/zinc/41/99/08/1122419908.db2.gz BUZXZMVPNDRAJT-KRWDZBQOSA-N 1 2 337.467 3.882 20 0 EHADLO COc1ccccc1CC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000127181305 1122467999 /nfs/dbraw/zinc/46/79/99/1122467999.db2.gz SHEBXRYHCGOQQZ-UHFFFAOYSA-N 1 2 337.423 3.728 20 0 EHADLO COc1ccccc1CC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000127181305 1122468000 /nfs/dbraw/zinc/46/80/00/1122468000.db2.gz SHEBXRYHCGOQQZ-UHFFFAOYSA-N 1 2 337.423 3.728 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000917067764 1122469726 /nfs/dbraw/zinc/46/97/26/1122469726.db2.gz XYVNWFKULXIVQG-UHFFFAOYSA-N 1 2 332.488 3.746 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)NC1CCCCCCC1 ZINC000917067764 1122469727 /nfs/dbraw/zinc/46/97/27/1122469727.db2.gz XYVNWFKULXIVQG-UHFFFAOYSA-N 1 2 332.488 3.746 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127678339 1122501259 /nfs/dbraw/zinc/50/12/59/1122501259.db2.gz ZUZGPESCVYIZTD-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127678339 1122501263 /nfs/dbraw/zinc/50/12/63/1122501263.db2.gz ZUZGPESCVYIZTD-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1nc(-c3ccccc3)no1)CC2 ZINC000067462704 1122515608 /nfs/dbraw/zinc/51/56/08/1122515608.db2.gz XQFOHRAPAIIXTJ-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1nc(-c3ccccc3)no1)CC2 ZINC000067462704 1122515611 /nfs/dbraw/zinc/51/56/11/1122515611.db2.gz XQFOHRAPAIIXTJ-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000127993613 1122521099 /nfs/dbraw/zinc/52/10/99/1122521099.db2.gz HLGDEPUQWUIQFC-UHFFFAOYSA-N 1 2 346.519 3.896 20 0 EHADLO Cc1ccc(C)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000067680642 1122528468 /nfs/dbraw/zinc/52/84/68/1122528468.db2.gz ICWLCVDHWUCTPY-UHFFFAOYSA-N 1 2 335.407 3.831 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000154333547 1122559215 /nfs/dbraw/zinc/55/92/15/1122559215.db2.gz DKESOORORJCGTD-DLBZAZTESA-N 1 2 345.414 3.843 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000154333547 1122559221 /nfs/dbraw/zinc/55/92/21/1122559221.db2.gz DKESOORORJCGTD-DLBZAZTESA-N 1 2 345.414 3.843 20 0 EHADLO O=C(NCCC1CCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154339004 1122564490 /nfs/dbraw/zinc/56/44/90/1122564490.db2.gz KHXVILNKDJDFPC-OALUTQOASA-N 1 2 338.455 3.601 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000917416986 1122601697 /nfs/dbraw/zinc/60/16/97/1122601697.db2.gz SSQCHKUTHFHSMI-SFHVURJKSA-N 1 2 344.842 3.582 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000917416986 1122601700 /nfs/dbraw/zinc/60/17/00/1122601700.db2.gz SSQCHKUTHFHSMI-SFHVURJKSA-N 1 2 344.842 3.582 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000128465106 1122603499 /nfs/dbraw/zinc/60/34/99/1122603499.db2.gz WWHLFXGICBDJEX-AWEZNQCLSA-N 1 2 330.453 3.734 20 0 EHADLO CCc1nc2ccccc2c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000670415671 1122700548 /nfs/dbraw/zinc/70/05/48/1122700548.db2.gz BLINZRCIEWVIGX-UHFFFAOYSA-N 1 2 348.450 3.849 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000069067021 1122749734 /nfs/dbraw/zinc/74/97/34/1122749734.db2.gz GVRCEKVIUSYENR-JLTOFOAXSA-N 1 2 342.439 3.549 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000069067021 1122749739 /nfs/dbraw/zinc/74/97/39/1122749739.db2.gz GVRCEKVIUSYENR-JLTOFOAXSA-N 1 2 342.439 3.549 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000069070115 1122750154 /nfs/dbraw/zinc/75/01/54/1122750154.db2.gz LXRWKMVWOAJAOM-NSHDSACASA-N 1 2 337.217 3.674 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000069070115 1122750156 /nfs/dbraw/zinc/75/01/56/1122750156.db2.gz LXRWKMVWOAJAOM-NSHDSACASA-N 1 2 337.217 3.674 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnn(CC3CCC3)c2)c(F)c1F ZINC000922073455 1129078319 /nfs/dbraw/zinc/07/83/19/1129078319.db2.gz IDALNFJFUSZPHF-UHFFFAOYSA-N 1 2 327.325 3.529 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cnc(-c3ccccc3F)s2)cn1 ZINC000556140878 1122838142 /nfs/dbraw/zinc/83/81/42/1122838142.db2.gz UEQVSNLLFYJWQI-UHFFFAOYSA-N 1 2 330.432 3.798 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cnc(-c3ccccc3F)s2)cn1 ZINC000556140878 1122838145 /nfs/dbraw/zinc/83/81/45/1122838145.db2.gz UEQVSNLLFYJWQI-UHFFFAOYSA-N 1 2 330.432 3.798 20 0 EHADLO O=C(CCOc1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065730647 1129083928 /nfs/dbraw/zinc/08/39/28/1129083928.db2.gz UJPMRJHIPLHYKE-UHFFFAOYSA-N 1 2 343.333 3.558 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1noc(-c2cncc(C)c2)n1 ZINC000556235239 1122888244 /nfs/dbraw/zinc/88/82/44/1122888244.db2.gz ZMRPSXBJENXENR-UHFFFAOYSA-N 1 2 347.422 3.943 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1noc(-c2cncc(C)c2)n1 ZINC000556235239 1122888249 /nfs/dbraw/zinc/88/82/49/1122888249.db2.gz ZMRPSXBJENXENR-UHFFFAOYSA-N 1 2 347.422 3.943 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1ccc(OC2CCCC2)cc1 ZINC000154805755 1122905051 /nfs/dbraw/zinc/90/50/51/1122905051.db2.gz JNIVGXTWMFKMKY-UHFFFAOYSA-N 1 2 331.803 3.813 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[nH]1 ZINC000130737454 1122989544 /nfs/dbraw/zinc/98/95/44/1122989544.db2.gz AATZCUFRENLYPF-NSHDSACASA-N 1 2 332.473 3.572 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[nH]1 ZINC000130737454 1122989546 /nfs/dbraw/zinc/98/95/46/1122989546.db2.gz AATZCUFRENLYPF-NSHDSACASA-N 1 2 332.473 3.572 20 0 EHADLO CCOCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000131187750 1123057688 /nfs/dbraw/zinc/05/76/88/1123057688.db2.gz JTSCFNISICUXBL-YJBOKZPZSA-N 1 2 342.443 3.535 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000131316386 1123079770 /nfs/dbraw/zinc/07/97/70/1123079770.db2.gz MOOBJZPRSRPPPZ-HXUWFJFHSA-N 1 2 338.451 3.940 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000131316386 1123079773 /nfs/dbraw/zinc/07/97/73/1123079773.db2.gz MOOBJZPRSRPPPZ-HXUWFJFHSA-N 1 2 338.451 3.940 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1F ZINC000131380806 1123094567 /nfs/dbraw/zinc/09/45/67/1123094567.db2.gz JYYDYBXRJBNKCG-KGLIPLIRSA-N 1 2 340.402 3.827 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000498924783 1123116029 /nfs/dbraw/zinc/11/60/29/1123116029.db2.gz PMSFOQCODRJFTP-KRWDZBQOSA-N 1 2 333.435 3.773 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3c1c(F)ccc3F)C2 ZINC000498947956 1123127537 /nfs/dbraw/zinc/12/75/37/1123127537.db2.gz AJSBGMANOPHJEQ-LLVKDONJSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3c1c(F)ccc3F)CC2 ZINC000498947956 1123127539 /nfs/dbraw/zinc/12/75/39/1123127539.db2.gz AJSBGMANOPHJEQ-LLVKDONJSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556860767 1123156193 /nfs/dbraw/zinc/15/61/93/1123156193.db2.gz USSMPCWGSAKCGO-KZNAEPCWSA-N 1 2 347.503 3.762 20 0 EHADLO Fc1cccnc1N1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000556927470 1123215774 /nfs/dbraw/zinc/21/57/74/1123215774.db2.gz QRGKDRBGCHUGII-IHWYPQMZSA-N 1 2 331.822 3.710 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000132465089 1123232454 /nfs/dbraw/zinc/23/24/54/1123232454.db2.gz AWTNJCYQRZNRBL-PKOBYXMFSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236658 1123290183 /nfs/dbraw/zinc/29/01/83/1123290183.db2.gz KJYWPNGMMCQRDN-ZBFHGGJFSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236658 1123290187 /nfs/dbraw/zinc/29/01/87/1123290187.db2.gz KJYWPNGMMCQRDN-ZBFHGGJFSA-N 1 2 332.488 3.872 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2ccsc2C1 ZINC000132825595 1123305289 /nfs/dbraw/zinc/30/52/89/1123305289.db2.gz BWPKRAQCZULDKI-AWEZNQCLSA-N 1 2 333.457 3.600 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2ccsc2C1 ZINC000132825595 1123305292 /nfs/dbraw/zinc/30/52/92/1123305292.db2.gz BWPKRAQCZULDKI-AWEZNQCLSA-N 1 2 333.457 3.600 20 0 EHADLO O=C(C[N@@H+]1CCc2ccsc2C1)Nc1ccccc1C(F)(F)F ZINC000132856140 1123309374 /nfs/dbraw/zinc/30/93/74/1123309374.db2.gz FPTKMIXLIWWGNZ-UHFFFAOYSA-N 1 2 340.370 3.764 20 0 EHADLO O=C(C[N@H+]1CCc2ccsc2C1)Nc1ccccc1C(F)(F)F ZINC000132856140 1123309377 /nfs/dbraw/zinc/30/93/77/1123309377.db2.gz FPTKMIXLIWWGNZ-UHFFFAOYSA-N 1 2 340.370 3.764 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)c3cccc(Cl)c3)[nH+]c12 ZINC000078180515 1129114299 /nfs/dbraw/zinc/11/42/99/1129114299.db2.gz JQMWVBCFCMZISM-UHFFFAOYSA-N 1 2 341.842 3.890 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000152640041 1123360443 /nfs/dbraw/zinc/36/04/43/1123360443.db2.gz YMBOKRPFJJDKRT-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccccc2)cs1 ZINC000075888159 1123436646 /nfs/dbraw/zinc/43/66/46/1123436646.db2.gz VCMUERMOMLGBEC-AWEZNQCLSA-N 1 2 347.484 3.701 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccccc2)cs1 ZINC000075888159 1123436649 /nfs/dbraw/zinc/43/66/49/1123436649.db2.gz VCMUERMOMLGBEC-AWEZNQCLSA-N 1 2 347.484 3.701 20 0 EHADLO c1cn(-c2ccccc2-c2noc([C@H]3CCNc4ccccc43)n2)c[nH+]1 ZINC001212252103 1123476403 /nfs/dbraw/zinc/47/64/03/1123476403.db2.gz HSPOCEQFJGPIOM-HNNXBMFYSA-N 1 2 343.390 3.870 20 0 EHADLO CCSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921204961 1123487427 /nfs/dbraw/zinc/48/74/27/1123487427.db2.gz DXBICGYLNOVDRG-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246970 1123508428 /nfs/dbraw/zinc/50/84/28/1123508428.db2.gz HWNKGNAVERMAID-KBXCAEBGSA-N 1 2 335.407 3.561 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246970 1123508432 /nfs/dbraw/zinc/50/84/32/1123508432.db2.gz HWNKGNAVERMAID-KBXCAEBGSA-N 1 2 335.407 3.561 20 0 EHADLO c1nn(CC2CCC2)cc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000921480480 1123549404 /nfs/dbraw/zinc/54/94/04/1123549404.db2.gz KJKXYJBYJLSYMY-NRFANRHFSA-N 1 2 332.451 3.957 20 0 EHADLO Cc1cc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc[nH+]1 ZINC000078230778 1123608348 /nfs/dbraw/zinc/60/83/48/1123608348.db2.gz QLUMZKARKUYJBL-LBPRGKRZSA-N 1 2 326.425 3.699 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609554361 1123612996 /nfs/dbraw/zinc/61/29/96/1123612996.db2.gz DZPYEZUUESWKNF-QGZVFWFLSA-N 1 2 344.484 3.658 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000135437086 1123615264 /nfs/dbraw/zinc/61/52/64/1123615264.db2.gz XIVBYVXSVRWPTM-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000135437086 1123615267 /nfs/dbraw/zinc/61/52/67/1123615267.db2.gz XIVBYVXSVRWPTM-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO FC(F)(Br)C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000922126452 1129133753 /nfs/dbraw/zinc/13/37/53/1129133753.db2.gz ICQOKXOOMLFOIB-RYUDHWBXSA-N 1 2 326.225 3.549 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000609619000 1123626199 /nfs/dbraw/zinc/62/61/99/1123626199.db2.gz YKLYBDRZXZABPS-UHFFFAOYSA-N 1 2 331.828 3.860 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000079450253 1123695409 /nfs/dbraw/zinc/69/54/09/1123695409.db2.gz XEKSDXDMDIVMST-INIZCTEOSA-N 1 2 346.434 3.765 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)NCCCn1cc[nH+]c1)C(C)(C)C ZINC000079941421 1123731344 /nfs/dbraw/zinc/73/13/44/1123731344.db2.gz PUDPBXKHCBALCX-QGZVFWFLSA-N 1 2 328.460 3.668 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000610116649 1123731557 /nfs/dbraw/zinc/73/15/57/1123731557.db2.gz KJLFGXYOEOKSTI-ZDUSSCGKSA-N 1 2 343.452 3.558 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000175705756 1123743219 /nfs/dbraw/zinc/74/32/19/1123743219.db2.gz JGFMRCWOVIGUMI-ZJUUUORDSA-N 1 2 329.322 3.942 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000245444631 1123828228 /nfs/dbraw/zinc/82/82/28/1123828228.db2.gz YEXCZMSDUMGWRD-QEEYODRMSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000245444631 1123828234 /nfs/dbraw/zinc/82/82/34/1123828234.db2.gz YEXCZMSDUMGWRD-QEEYODRMSA-N 1 2 336.435 3.909 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000348540013 1129149566 /nfs/dbraw/zinc/14/95/66/1129149566.db2.gz RHQKIJADBVLQOY-GJZGRUSLSA-N 1 2 345.874 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000348540013 1129149568 /nfs/dbraw/zinc/14/95/68/1129149568.db2.gz RHQKIJADBVLQOY-GJZGRUSLSA-N 1 2 345.874 3.741 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000179903507 1123894328 /nfs/dbraw/zinc/89/43/28/1123894328.db2.gz FYUPUTPHECLUNP-MSOLQXFVSA-N 1 2 332.513 3.999 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)NCCCCn2cc[nH+]c2)c(C)c1 ZINC000615907480 1123905290 /nfs/dbraw/zinc/90/52/90/1123905290.db2.gz LDLZEWQGSBDDAH-QGZVFWFLSA-N 1 2 328.460 3.683 20 0 EHADLO CCCN(CCC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664879 1123915778 /nfs/dbraw/zinc/91/57/78/1123915778.db2.gz IPRYEXKSSGVZMR-IRXDYDNUSA-N 1 2 339.430 3.542 20 0 EHADLO CCCN(CCC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664879 1123915780 /nfs/dbraw/zinc/91/57/80/1123915780.db2.gz IPRYEXKSSGVZMR-IRXDYDNUSA-N 1 2 339.430 3.542 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327891 1123982907 /nfs/dbraw/zinc/98/29/07/1123982907.db2.gz DDEPGDMNZCCHJR-MISYRCLQSA-N 1 2 337.467 3.630 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328409 1123983250 /nfs/dbraw/zinc/98/32/50/1123983250.db2.gz KSCHFHSPHSNBCE-YZGWKJHDSA-N 1 2 337.467 3.630 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000245958029 1123990037 /nfs/dbraw/zinc/99/00/37/1123990037.db2.gz RDWUPDUMQABFPS-OTWHNJEPSA-N 1 2 337.467 3.630 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246177928 1124039729 /nfs/dbraw/zinc/03/97/29/1124039729.db2.gz CZNNWEFNCVNTAZ-PZPSRYQVSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246177928 1124039735 /nfs/dbraw/zinc/03/97/35/1124039735.db2.gz CZNNWEFNCVNTAZ-PZPSRYQVSA-N 1 2 336.838 3.697 20 0 EHADLO CO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCSCC3)cc2C)C12CCC2 ZINC000453183777 1129173748 /nfs/dbraw/zinc/17/37/48/1129173748.db2.gz GZHFITWAARJOEK-ZWKOTPCHSA-N 1 2 332.513 3.918 20 0 EHADLO O=C(CC/C=C\c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000255672223 1129175927 /nfs/dbraw/zinc/17/59/27/1129175927.db2.gz GOBWCSMWZPLIBE-WMZJFQQLSA-N 1 2 335.451 3.792 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000543063168 1129177410 /nfs/dbraw/zinc/17/74/10/1129177410.db2.gz LIYPEEURBYRSFI-CQSZACIVSA-N 1 2 328.460 3.721 20 0 EHADLO O=C(Cc1coc2ccc3ccccc3c12)NCCCCn1cc[nH+]c1 ZINC000617348555 1124492228 /nfs/dbraw/zinc/49/22/28/1124492228.db2.gz AZSXNQGXBMJESF-UHFFFAOYSA-N 1 2 347.418 3.922 20 0 EHADLO CC(C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000246709950 1124540303 /nfs/dbraw/zinc/54/03/03/1124540303.db2.gz XWRXZSVQNTUYSZ-IPELMVKDSA-N 1 2 340.471 3.846 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247161683 1124592538 /nfs/dbraw/zinc/59/25/38/1124592538.db2.gz XPMATQABRHRQQC-XZJROXQQSA-N 1 2 326.843 3.633 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247161683 1124592541 /nfs/dbraw/zinc/59/25/41/1124592541.db2.gz XPMATQABRHRQQC-XZJROXQQSA-N 1 2 326.843 3.633 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 ZINC000247587795 1124617873 /nfs/dbraw/zinc/61/78/73/1124617873.db2.gz MOQQGVQATOUMSD-UZLBHIALSA-N 1 2 338.451 3.938 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 ZINC000247587795 1124617875 /nfs/dbraw/zinc/61/78/75/1124617875.db2.gz MOQQGVQATOUMSD-UZLBHIALSA-N 1 2 338.451 3.938 20 0 EHADLO CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000248245877 1124647332 /nfs/dbraw/zinc/64/73/32/1124647332.db2.gz JPHQSUCNDXOWPZ-STQMWFEESA-N 1 2 328.909 3.728 20 0 EHADLO CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000248245877 1124647336 /nfs/dbraw/zinc/64/73/36/1124647336.db2.gz JPHQSUCNDXOWPZ-STQMWFEESA-N 1 2 328.909 3.728 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000142238060 1124718259 /nfs/dbraw/zinc/71/82/59/1124718259.db2.gz VEJRIXKJNFKEAY-AWEZNQCLSA-N 1 2 339.464 3.748 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734812419 1131279281 /nfs/dbraw/zinc/27/92/81/1131279281.db2.gz OERAYLQBCMBXRY-WMZOPIPTSA-N 1 2 327.472 3.916 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000735070914 1131306087 /nfs/dbraw/zinc/30/60/87/1131306087.db2.gz TWEFUYOZKROUNH-LPHOPBHVSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000735070914 1131306094 /nfs/dbraw/zinc/30/60/94/1131306094.db2.gz TWEFUYOZKROUNH-LPHOPBHVSA-N 1 2 348.874 3.856 20 0 EHADLO COc1ccc([C@@H](CNCc2ccncc2F)[NH+]2CCCCC2)cc1 ZINC000449065205 1124934450 /nfs/dbraw/zinc/93/44/50/1124934450.db2.gz SKYOWSAUFJTEJM-HXUWFJFHSA-N 1 2 343.446 3.546 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161424 1124961535 /nfs/dbraw/zinc/96/15/35/1124961535.db2.gz FQRCXKDTRVSTTB-IRXDYDNUSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161424 1124961541 /nfs/dbraw/zinc/96/15/41/1124961541.db2.gz FQRCXKDTRVSTTB-IRXDYDNUSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161496 1124961579 /nfs/dbraw/zinc/96/15/79/1124961579.db2.gz CTKCAJZTKUVNIE-GOPGUHFVSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161496 1124961585 /nfs/dbraw/zinc/96/15/85/1124961585.db2.gz CTKCAJZTKUVNIE-GOPGUHFVSA-N 1 2 338.854 3.777 20 0 EHADLO CC(C)CCn1cccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000092069225 1125024578 /nfs/dbraw/zinc/02/45/78/1125024578.db2.gz XMXQKBOENMMIQG-UHFFFAOYSA-N 1 2 342.409 3.919 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000092069225 1125024587 /nfs/dbraw/zinc/02/45/87/1125024587.db2.gz XMXQKBOENMMIQG-UHFFFAOYSA-N 1 2 342.409 3.919 20 0 EHADLO CCN(CC)C(=O)C1([NH2+]Cc2cccc(Cl)c2O)CCCCC1 ZINC000181989013 1125104722 /nfs/dbraw/zinc/10/47/22/1125104722.db2.gz VHXMHZKNDBEYNA-UHFFFAOYSA-N 1 2 338.879 3.707 20 0 EHADLO CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000093314029 1125221365 /nfs/dbraw/zinc/22/13/65/1125221365.db2.gz XKJNDQHHYXKZSE-UHFFFAOYSA-N 1 2 339.650 3.554 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000093314029 1125221372 /nfs/dbraw/zinc/22/13/72/1125221372.db2.gz XKJNDQHHYXKZSE-UHFFFAOYSA-N 1 2 339.650 3.554 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccccc1COC)c1ccccc1 ZINC000182497604 1125316862 /nfs/dbraw/zinc/31/68/62/1125316862.db2.gz RYJGVLXUYAOWIQ-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccccc1COC)c1ccccc1 ZINC000182497604 1125316867 /nfs/dbraw/zinc/31/68/67/1125316867.db2.gz RYJGVLXUYAOWIQ-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000615333785 1125351245 /nfs/dbraw/zinc/35/12/45/1125351245.db2.gz FVPYFDLPMVSCJN-KGLIPLIRSA-N 1 2 332.394 3.629 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152696326 1125370563 /nfs/dbraw/zinc/37/05/63/1125370563.db2.gz WYIMSSYYVAXAMP-AEFFLSMTSA-N 1 2 331.504 3.947 20 0 EHADLO C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000619705545 1125384864 /nfs/dbraw/zinc/38/48/64/1125384864.db2.gz BIUGZARBGTXSAZ-OLZOCXBDSA-N 1 2 336.505 3.543 20 0 EHADLO C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000619705545 1125384867 /nfs/dbraw/zinc/38/48/67/1125384867.db2.gz BIUGZARBGTXSAZ-OLZOCXBDSA-N 1 2 336.505 3.543 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(OC)c1 ZINC001213119101 1129248351 /nfs/dbraw/zinc/24/83/51/1129248351.db2.gz NCGZGDOOPWITTR-UHFFFAOYSA-N 1 2 342.439 3.670 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1Cl ZINC000067656218 1129293454 /nfs/dbraw/zinc/29/34/54/1129293454.db2.gz RFWZGKDOPXNRIE-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCCCCc3ccccc3)[nH+]c12 ZINC000067875614 1129317161 /nfs/dbraw/zinc/31/71/61/1129317161.db2.gz KQALEKLOBZFULL-UHFFFAOYSA-N 1 2 335.451 3.714 20 0 EHADLO C[N@H+](CCc1ccccc1O)Cc1c(F)cccc1Br ZINC000543245509 1129367877 /nfs/dbraw/zinc/36/78/77/1129367877.db2.gz SRRJXVDVLGLMFK-UHFFFAOYSA-N 1 2 338.220 3.968 20 0 EHADLO C[N@@H+](CCc1ccccc1O)Cc1c(F)cccc1Br ZINC000543245509 1129367882 /nfs/dbraw/zinc/36/78/82/1129367882.db2.gz SRRJXVDVLGLMFK-UHFFFAOYSA-N 1 2 338.220 3.968 20 0 EHADLO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000080775361 1129379768 /nfs/dbraw/zinc/37/97/68/1129379768.db2.gz UMJNNWAGOREJIG-RTBURBONSA-N 1 2 325.456 3.766 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717618 1129411886 /nfs/dbraw/zinc/41/18/86/1129411886.db2.gz BJMUJDYSOBVORJ-AWEZNQCLSA-N 1 2 348.874 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717618 1129411889 /nfs/dbraw/zinc/41/18/89/1129411889.db2.gz BJMUJDYSOBVORJ-AWEZNQCLSA-N 1 2 348.874 3.502 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000081318433 1129413508 /nfs/dbraw/zinc/41/35/08/1129413508.db2.gz PXCZKJQIIVHMAJ-KRWDZBQOSA-N 1 2 339.826 3.787 20 0 EHADLO CC[C@@H](CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000081318373 1129413690 /nfs/dbraw/zinc/41/36/90/1129413690.db2.gz NJAMBZMCYQAOAI-WMZOPIPTSA-N 1 2 327.472 3.892 20 0 EHADLO O=C(COc1ccc(Cl)c(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000338838591 1129420303 /nfs/dbraw/zinc/42/03/03/1129420303.db2.gz WLMUMMOUZWESNV-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1C ZINC000543423496 1129480496 /nfs/dbraw/zinc/48/04/96/1129480496.db2.gz WUMLWCQFRDHPNF-INIZCTEOSA-N 1 2 341.455 3.717 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000118421436 1129508182 /nfs/dbraw/zinc/50/81/82/1129508182.db2.gz FNBWYUMLHSGYMI-IFXJQAMLSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000118421436 1129508184 /nfs/dbraw/zinc/50/81/84/1129508184.db2.gz FNBWYUMLHSGYMI-IFXJQAMLSA-N 1 2 344.455 3.943 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000543484978 1129519125 /nfs/dbraw/zinc/51/91/25/1129519125.db2.gz HJDGXKSROOUYNA-SFHVURJKSA-N 1 2 344.455 3.881 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265867336 1129547823 /nfs/dbraw/zinc/54/78/23/1129547823.db2.gz ISCIZWXFJWFPTG-FRRDWIJNSA-N 1 2 347.821 3.712 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(C)c1OC ZINC000922521220 1129561039 /nfs/dbraw/zinc/56/10/39/1129561039.db2.gz IOGCNDJZEPFHEQ-MAUKXSAKSA-N 1 2 331.387 3.574 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3=CCCCCC3)CC2)cc1 ZINC000186539540 1129565461 /nfs/dbraw/zinc/56/54/61/1129565461.db2.gz DJSQPMLFDWPFTO-UHFFFAOYSA-N 1 2 341.499 3.728 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001168730046 1129595397 /nfs/dbraw/zinc/59/53/97/1129595397.db2.gz LWEQYXLKWLYVNS-KRWDZBQOSA-N 1 2 346.883 3.849 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000735873002 1131385010 /nfs/dbraw/zinc/38/50/10/1131385010.db2.gz CXKISUWHVAJSHO-LJQANCHMSA-N 1 2 348.450 3.739 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000735873002 1131385015 /nfs/dbraw/zinc/38/50/15/1131385015.db2.gz CXKISUWHVAJSHO-LJQANCHMSA-N 1 2 348.450 3.739 20 0 EHADLO c1cnn(Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)c1 ZINC000125029281 1129654540 /nfs/dbraw/zinc/65/45/40/1129654540.db2.gz UWEVSQBPHUVFNV-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H]1C ZINC000347763610 1129702260 /nfs/dbraw/zinc/70/22/60/1129702260.db2.gz OZQCVJZOVRVSJE-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(NC[C@@H]1CCCC12CC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000625011218 1129707521 /nfs/dbraw/zinc/70/75/21/1129707521.db2.gz DXCLGVWAFPVVFP-SFHVURJKSA-N 1 2 344.503 3.665 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cccc(F)c2Cl)C2CC2)cc1 ZINC000338891307 1129712675 /nfs/dbraw/zinc/71/26/75/1129712675.db2.gz DSHSCQBEURMVDQ-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2Cl)C2CC2)cc1 ZINC000338891307 1129712676 /nfs/dbraw/zinc/71/26/76/1129712676.db2.gz DSHSCQBEURMVDQ-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1ccc(C)nc1 ZINC000361442991 1129723433 /nfs/dbraw/zinc/72/34/33/1129723433.db2.gz NMEKEKJBKOIXBD-UHFFFAOYSA-N 1 2 345.244 3.556 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000625090648 1129728343 /nfs/dbraw/zinc/72/83/43/1129728343.db2.gz UTNIHCFPZDAAQC-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000625090648 1129728345 /nfs/dbraw/zinc/72/83/45/1129728345.db2.gz UTNIHCFPZDAAQC-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO O=C(C[NH+]1CCC(OC2CCCC2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000625117424 1129736863 /nfs/dbraw/zinc/73/68/63/1129736863.db2.gz FJOKWRGVVODZNC-UHFFFAOYSA-N 1 2 344.430 3.913 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000126587600 1129754191 /nfs/dbraw/zinc/75/41/91/1129754191.db2.gz FLGSMLZPGFDJMB-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000126587600 1129754192 /nfs/dbraw/zinc/75/41/92/1129754192.db2.gz FLGSMLZPGFDJMB-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO Cc1[nH]c(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(C)[nH+]1 ZINC000929326903 1129776295 /nfs/dbraw/zinc/77/62/95/1129776295.db2.gz AVNZUMOFPCNDNP-UHFFFAOYSA-N 1 2 331.847 3.775 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(C(F)F)nc1 ZINC000657919048 1129777002 /nfs/dbraw/zinc/77/70/02/1129777002.db2.gz XDZQLKBBGJFUCF-XPTSAGLGSA-N 1 2 328.309 3.682 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000625233430 1129777826 /nfs/dbraw/zinc/77/78/26/1129777826.db2.gz VCPRIEAGQCQDRG-UHFFFAOYSA-N 1 2 345.826 3.846 20 0 EHADLO CC(C)(C)CNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000625258686 1129786729 /nfs/dbraw/zinc/78/67/29/1129786729.db2.gz CCRXAJFFYUWBAU-GOSISDBHSA-N 1 2 345.874 3.576 20 0 EHADLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000625279889 1129800152 /nfs/dbraw/zinc/80/01/52/1129800152.db2.gz JBTZQWJTRSFQJN-UHFFFAOYSA-N 1 2 347.434 3.511 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)c3ccc(F)cc3)[nH+]c12 ZINC000673726258 1129812085 /nfs/dbraw/zinc/81/20/85/1129812085.db2.gz SNJQPRFGAYUKIY-OAHLLOKOSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NCCc3cn4cccc(C)c4[nH+]3)cc2c1C ZINC000673746942 1129826032 /nfs/dbraw/zinc/82/60/32/1129826032.db2.gz KHRMDAUBTWZTPI-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000766028230 1129834825 /nfs/dbraw/zinc/83/48/25/1129834825.db2.gz CBSXLQINDIOAKI-CQSZACIVSA-N 1 2 349.862 3.701 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000766028230 1129834829 /nfs/dbraw/zinc/83/48/29/1129834829.db2.gz CBSXLQINDIOAKI-CQSZACIVSA-N 1 2 349.862 3.701 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000455225531 1129838964 /nfs/dbraw/zinc/83/89/64/1129838964.db2.gz QVWZVKJGMVZLGH-IXDOHACOSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)CCC3CCCCC3)[nH+]c12 ZINC000673779869 1129842774 /nfs/dbraw/zinc/84/27/74/1129842774.db2.gz PPDJXALVROFHEY-UHFFFAOYSA-N 1 2 342.487 3.797 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429138332 1129851291 /nfs/dbraw/zinc/85/12/91/1129851291.db2.gz VNESMOULDWPJHK-HZPDHXFCSA-N 1 2 338.451 3.859 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429138332 1129851295 /nfs/dbraw/zinc/85/12/95/1129851295.db2.gz VNESMOULDWPJHK-HZPDHXFCSA-N 1 2 338.451 3.859 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000429142395 1129859057 /nfs/dbraw/zinc/85/90/57/1129859057.db2.gz MGGCRWAFIGGHJD-MRXNPFEDSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cccn2cc(CCNc3ccnc(-c4ccccc4)n3)[nH+]c12 ZINC000673817031 1129863819 /nfs/dbraw/zinc/86/38/19/1129863819.db2.gz JUXNIKWWNQUYMU-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO CC1(C)C[N@H+](Cc2coc(-c3ccccc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000625433188 1129869421 /nfs/dbraw/zinc/86/94/21/1129869421.db2.gz RDYGLWGVGZBPCI-DLBZAZTESA-N 1 2 330.403 3.870 20 0 EHADLO CC1(C)C[N@@H+](Cc2coc(-c3ccccc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000625433188 1129869424 /nfs/dbraw/zinc/86/94/24/1129869424.db2.gz RDYGLWGVGZBPCI-DLBZAZTESA-N 1 2 330.403 3.870 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000673828203 1129871504 /nfs/dbraw/zinc/87/15/04/1129871504.db2.gz PLIRSMVURNTNNE-CABCVRRESA-N 1 2 333.863 3.967 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4cc[nH]c43)c[nH+]2)C[C@@H](C)O1 ZINC000347816863 1129873311 /nfs/dbraw/zinc/87/33/11/1129873311.db2.gz RXYQNXWLBUKMBZ-HUUCEWRRSA-N 1 2 336.439 3.789 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1c(Cl)cccc1Cl ZINC000673833934 1129880483 /nfs/dbraw/zinc/88/04/83/1129880483.db2.gz IEAZDUQUCWGFKM-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C/C=C\c3ccc(F)cc3)[nH+]c12 ZINC000673843240 1129884063 /nfs/dbraw/zinc/88/40/63/1129884063.db2.gz HQMFHJHZEDOAKP-DJWKRKHSSA-N 1 2 337.398 3.544 20 0 EHADLO C[N@H+](Cc1cn[nH]c1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000673927112 1129908986 /nfs/dbraw/zinc/90/89/86/1129908986.db2.gz NVMGXCSYGZWPIK-UHFFFAOYSA-N 1 2 342.830 3.669 20 0 EHADLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000673927112 1129908989 /nfs/dbraw/zinc/90/89/89/1129908989.db2.gz NVMGXCSYGZWPIK-UHFFFAOYSA-N 1 2 342.830 3.669 20 0 EHADLO COC(=O)c1occc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057947879 1129920282 /nfs/dbraw/zinc/92/02/82/1129920282.db2.gz JEMCYAYXVCWNRP-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1occc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057947879 1129920283 /nfs/dbraw/zinc/92/02/83/1129920283.db2.gz JEMCYAYXVCWNRP-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO FC(F)(F)c1ccc(CCC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000674005477 1129953806 /nfs/dbraw/zinc/95/38/06/1129953806.db2.gz IOTGMXZEVFAKPB-CYBMUJFWSA-N 1 2 341.295 3.901 20 0 EHADLO FC(F)(F)c1ccc(CCC[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000674005477 1129953808 /nfs/dbraw/zinc/95/38/08/1129953808.db2.gz IOTGMXZEVFAKPB-CYBMUJFWSA-N 1 2 341.295 3.901 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009232 1129956753 /nfs/dbraw/zinc/95/67/53/1129956753.db2.gz HQBPWGQNNDFBRA-OXJNMPFZSA-N 1 2 340.442 3.928 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009232 1129956758 /nfs/dbraw/zinc/95/67/58/1129956758.db2.gz HQBPWGQNNDFBRA-OXJNMPFZSA-N 1 2 340.442 3.928 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012717 1129958772 /nfs/dbraw/zinc/95/87/72/1129958772.db2.gz XZGUJTMGAOKNNE-IQUTYRLHSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012717 1129958775 /nfs/dbraw/zinc/95/87/75/1129958775.db2.gz XZGUJTMGAOKNNE-IQUTYRLHSA-N 1 2 344.405 3.978 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012811 1129960823 /nfs/dbraw/zinc/96/08/23/1129960823.db2.gz FGTARTKSVQADLG-LJQANCHMSA-N 1 2 326.415 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012811 1129960826 /nfs/dbraw/zinc/96/08/26/1129960826.db2.gz FGTARTKSVQADLG-LJQANCHMSA-N 1 2 326.415 3.621 20 0 EHADLO O=C(C[NH+]1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000058889174 1129964000 /nfs/dbraw/zinc/96/40/00/1129964000.db2.gz UDWAEPHHFLTVSZ-UHFFFAOYSA-N 1 2 338.495 3.594 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644118 1129966178 /nfs/dbraw/zinc/96/61/78/1129966178.db2.gz AFJPLWFIIKFVEK-XQQFMLRXSA-N 1 2 342.455 3.959 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644118 1129966182 /nfs/dbraw/zinc/96/61/82/1129966182.db2.gz AFJPLWFIIKFVEK-XQQFMLRXSA-N 1 2 342.455 3.959 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657875 1129971181 /nfs/dbraw/zinc/97/11/81/1129971181.db2.gz XFPZSYUPBCYPOB-HNNXBMFYSA-N 1 2 334.414 3.654 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657875 1129971183 /nfs/dbraw/zinc/97/11/83/1129971183.db2.gz XFPZSYUPBCYPOB-HNNXBMFYSA-N 1 2 334.414 3.654 20 0 EHADLO Fc1ccc(Oc2ccc(NCc3cccc4[nH+]ccn43)nc2)cc1 ZINC000466621577 1129980462 /nfs/dbraw/zinc/98/04/62/1129980462.db2.gz ROHMAOLVXXCAPA-UHFFFAOYSA-N 1 2 334.354 3.695 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000674107823 1130005871 /nfs/dbraw/zinc/00/58/71/1130005871.db2.gz YLDSURYURUCVOT-CVEARBPZSA-N 1 2 330.472 3.845 20 0 EHADLO Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000674468838 1130098612 /nfs/dbraw/zinc/09/86/12/1130098612.db2.gz MMAYEYIYPIXOGJ-KRWDZBQOSA-N 1 2 338.386 3.998 20 0 EHADLO Fc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000674468838 1130098619 /nfs/dbraw/zinc/09/86/19/1130098619.db2.gz MMAYEYIYPIXOGJ-KRWDZBQOSA-N 1 2 338.386 3.998 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)nc1 ZINC000674865315 1130211549 /nfs/dbraw/zinc/21/15/49/1130211549.db2.gz CHCNQERMFPMFJH-UZLBHIALSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)nc1 ZINC000674865315 1130211555 /nfs/dbraw/zinc/21/15/55/1130211555.db2.gz CHCNQERMFPMFJH-UZLBHIALSA-N 1 2 326.440 3.751 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000675103034 1130253512 /nfs/dbraw/zinc/25/35/12/1130253512.db2.gz GJHKKIHFQTUOFK-SUMDDJOVSA-N 1 2 338.455 3.735 20 0 EHADLO CC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCCC1 ZINC001128970198 1130294106 /nfs/dbraw/zinc/29/41/06/1130294106.db2.gz CYXBJZPHSAODDC-RTBURBONSA-N 1 2 346.540 3.862 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675264140 1130296602 /nfs/dbraw/zinc/29/66/02/1130296602.db2.gz IBPLXUSTFIRHKQ-AWEZNQCLSA-N 1 2 348.834 3.804 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000675576853 1130428293 /nfs/dbraw/zinc/42/82/93/1130428293.db2.gz SWWZUVQVGSVOFK-SFHVURJKSA-N 1 2 334.423 3.675 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H]1c1ccccc1 ZINC000675584494 1130429039 /nfs/dbraw/zinc/42/90/39/1130429039.db2.gz VCLPCSDIXNNPNR-GOSISDBHSA-N 1 2 334.423 3.627 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccsc1)c1ccccc1 ZINC000675620375 1130431736 /nfs/dbraw/zinc/43/17/36/1130431736.db2.gz IYYQXRBKJWLXHO-OAHLLOKOSA-N 1 2 326.425 3.587 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCc4ccccc4[C@H]3C(C)C)[nH+]c12 ZINC000675680792 1130450817 /nfs/dbraw/zinc/45/08/17/1130450817.db2.gz ZDVHWEWFZSYTNH-OAQYLSRUSA-N 1 2 347.462 3.967 20 0 EHADLO Cc1occc1C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000675779355 1130471146 /nfs/dbraw/zinc/47/11/46/1130471146.db2.gz MCJSFHFVWHMILW-LLVKDONJSA-N 1 2 330.819 3.981 20 0 EHADLO Clc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc2c1OCO2 ZINC000675976314 1130514722 /nfs/dbraw/zinc/51/47/22/1130514722.db2.gz MBFNZYULUBQJBA-UHFFFAOYSA-N 1 2 341.798 3.544 20 0 EHADLO Cc1ccc(F)c(Br)c1NC(=O)c1cccc2[nH+]ccn21 ZINC001129172753 1130523508 /nfs/dbraw/zinc/52/35/08/1130523508.db2.gz DOFLLYNFKMXOBY-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CC(C)C(NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000676288483 1130554361 /nfs/dbraw/zinc/55/43/61/1130554361.db2.gz NOVXIBFFWROPFH-UHFFFAOYSA-N 1 2 332.492 3.552 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)n1 ZINC000727837912 1130599715 /nfs/dbraw/zinc/59/97/15/1130599715.db2.gz YLDVZCOOGKYNAF-JTQLQIEISA-N 1 2 335.864 3.546 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@@H+]3CCC[C@H]3c3ccsc3)C2=O)CC1 ZINC000727818767 1130600711 /nfs/dbraw/zinc/60/07/11/1130600711.db2.gz WQIWVBIYPPFPSH-RCDNUKIMSA-N 1 2 346.496 3.798 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@H+]3CCC[C@H]3c3ccsc3)C2=O)CC1 ZINC000727818767 1130600715 /nfs/dbraw/zinc/60/07/15/1130600715.db2.gz WQIWVBIYPPFPSH-RCDNUKIMSA-N 1 2 346.496 3.798 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000288083167 1130632547 /nfs/dbraw/zinc/63/25/47/1130632547.db2.gz NRYSDKPDUQITIQ-QAPCUYQASA-N 1 2 334.423 3.627 20 0 EHADLO CC[C@@](C)(NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000730901605 1130747757 /nfs/dbraw/zinc/74/77/57/1130747757.db2.gz CXPHKNSKNLNPOB-OAQYLSRUSA-N 1 2 348.450 3.997 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731003649 1130760077 /nfs/dbraw/zinc/76/00/77/1130760077.db2.gz LSHDANSEBDCEBA-HKUYNNGSSA-N 1 2 339.483 3.924 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000731446184 1130797715 /nfs/dbraw/zinc/79/77/15/1130797715.db2.gz YFSAZGDXRDGFKI-UHFFFAOYSA-N 1 2 348.815 3.693 20 0 EHADLO C/C(=C\C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000732060936 1130881879 /nfs/dbraw/zinc/88/18/79/1130881879.db2.gz CIITVQQXZWNVSE-SHRNQRGKSA-N 1 2 329.419 3.657 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000732809074 1130958713 /nfs/dbraw/zinc/95/87/13/1130958713.db2.gz QTOUGFUZQYYVPM-CYBMUJFWSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000732809074 1130958718 /nfs/dbraw/zinc/95/87/18/1130958718.db2.gz QTOUGFUZQYYVPM-CYBMUJFWSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000732808833 1130958783 /nfs/dbraw/zinc/95/87/83/1130958783.db2.gz MGVCWDICKLUSAD-CQSZACIVSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000732808833 1130958788 /nfs/dbraw/zinc/95/87/88/1130958788.db2.gz MGVCWDICKLUSAD-CQSZACIVSA-N 1 2 341.282 3.970 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000732954774 1130972467 /nfs/dbraw/zinc/97/24/67/1130972467.db2.gz OZFITBJNNRMEMD-UKRRQHHQSA-N 1 2 339.505 3.519 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC/C=C\c2ccccc2)c1C ZINC000733043371 1130987644 /nfs/dbraw/zinc/98/76/44/1130987644.db2.gz VQSPWOCDCGRSAE-FLIBITNWSA-N 1 2 339.439 3.562 20 0 EHADLO C[C@@H](CCC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000348016946 1131120653 /nfs/dbraw/zinc/12/06/53/1131120653.db2.gz NRSLSHLBBRDLKU-KRWDZBQOSA-N 1 2 346.515 3.597 20 0 EHADLO COCC[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccco1 ZINC000348054067 1131130620 /nfs/dbraw/zinc/13/06/20/1131130620.db2.gz UQNRQIFHICGFKE-MRXNPFEDSA-N 1 2 330.359 3.941 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C)c(C)o2)CC2CC2)c(OC)c1 ZINC000282657241 1131135088 /nfs/dbraw/zinc/13/50/88/1131135088.db2.gz IHUSYGCTXBJXFP-UHFFFAOYSA-N 1 2 330.428 3.721 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C)c(C)o2)CC2CC2)c(OC)c1 ZINC000282657241 1131135092 /nfs/dbraw/zinc/13/50/92/1131135092.db2.gz IHUSYGCTXBJXFP-UHFFFAOYSA-N 1 2 330.428 3.721 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000734143801 1131203173 /nfs/dbraw/zinc/20/31/73/1131203173.db2.gz HAGWIUFCEFYMNL-OAHLLOKOSA-N 1 2 348.541 3.713 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000734143801 1131203175 /nfs/dbraw/zinc/20/31/75/1131203175.db2.gz HAGWIUFCEFYMNL-OAHLLOKOSA-N 1 2 348.541 3.713 20 0 EHADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627229 1131428365 /nfs/dbraw/zinc/42/83/65/1131428365.db2.gz DQBXREOORBDYMP-GJDIJTJZSA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627229 1131428366 /nfs/dbraw/zinc/42/83/66/1131428366.db2.gz DQBXREOORBDYMP-GJDIJTJZSA-N 1 2 327.449 3.927 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nc([C@H](C)OCC)no1 ZINC000736604086 1131428756 /nfs/dbraw/zinc/42/87/56/1131428756.db2.gz AOGWXBKAMFUNCZ-ZDUSSCGKSA-N 1 2 343.431 3.777 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057128 1131461794 /nfs/dbraw/zinc/46/17/94/1131461794.db2.gz RITUZEFIOOFQGV-GJZGRUSLSA-N 1 2 345.516 3.708 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057128 1131461797 /nfs/dbraw/zinc/46/17/97/1131461797.db2.gz RITUZEFIOOFQGV-GJZGRUSLSA-N 1 2 345.516 3.708 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000738242735 1131466535 /nfs/dbraw/zinc/46/65/35/1131466535.db2.gz YKHFHOVFYISHMM-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000738242735 1131466537 /nfs/dbraw/zinc/46/65/37/1131466537.db2.gz YKHFHOVFYISHMM-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000738300496 1131467414 /nfs/dbraw/zinc/46/74/14/1131467414.db2.gz WDMFFZWELFMUEC-AWEZNQCLSA-N 1 2 326.440 3.987 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000738300496 1131467416 /nfs/dbraw/zinc/46/74/16/1131467416.db2.gz WDMFFZWELFMUEC-AWEZNQCLSA-N 1 2 326.440 3.987 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000738991826 1131491365 /nfs/dbraw/zinc/49/13/65/1131491365.db2.gz BBSXUTIASNXMMM-DYVFJYSZSA-N 1 2 333.476 3.817 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738989344 1131492733 /nfs/dbraw/zinc/49/27/33/1131492733.db2.gz AIAQGKGTNMTFAR-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+](Cc2cccs2)C(C)C)C1=O ZINC000740854288 1131548746 /nfs/dbraw/zinc/54/87/46/1131548746.db2.gz SIIIYYDENKHXOP-SFHVURJKSA-N 1 2 336.501 3.727 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+](Cc2cccs2)C(C)C)C1=O ZINC000740854288 1131548749 /nfs/dbraw/zinc/54/87/49/1131548749.db2.gz SIIIYYDENKHXOP-SFHVURJKSA-N 1 2 336.501 3.727 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=S)o1 ZINC000740861184 1131549064 /nfs/dbraw/zinc/54/90/64/1131549064.db2.gz LTGHRDDVGSPXJK-OLZOCXBDSA-N 1 2 333.457 3.959 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=S)o1 ZINC000740861184 1131549069 /nfs/dbraw/zinc/54/90/69/1131549069.db2.gz LTGHRDDVGSPXJK-OLZOCXBDSA-N 1 2 333.457 3.959 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000179532606 1131558036 /nfs/dbraw/zinc/55/80/36/1131558036.db2.gz YWGSUSBZTMTSQC-UHFFFAOYSA-N 1 2 346.434 3.593 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000179532606 1131558041 /nfs/dbraw/zinc/55/80/41/1131558041.db2.gz YWGSUSBZTMTSQC-UHFFFAOYSA-N 1 2 346.434 3.593 20 0 EHADLO CC(C)[C@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)c1ccccc1 ZINC000741028733 1131571813 /nfs/dbraw/zinc/57/18/13/1131571813.db2.gz HUJPGTWKDPTFRS-APWZRJJASA-N 1 2 331.456 3.702 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741777981 1131646037 /nfs/dbraw/zinc/64/60/37/1131646037.db2.gz GGWDRFFGZNMRLU-OAHLLOKOSA-N 1 2 346.377 3.812 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741777981 1131646039 /nfs/dbraw/zinc/64/60/39/1131646039.db2.gz GGWDRFFGZNMRLU-OAHLLOKOSA-N 1 2 346.377 3.812 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000741777737 1131646144 /nfs/dbraw/zinc/64/61/44/1131646144.db2.gz QPSMPQSWSLIQPY-AWEZNQCLSA-N 1 2 342.439 3.607 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000741777737 1131646147 /nfs/dbraw/zinc/64/61/47/1131646147.db2.gz QPSMPQSWSLIQPY-AWEZNQCLSA-N 1 2 342.439 3.607 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783166 1131646940 /nfs/dbraw/zinc/64/69/40/1131646940.db2.gz JZGOKDZFUVYLPD-ZFWWWQNUSA-N 1 2 346.377 3.983 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783166 1131646943 /nfs/dbraw/zinc/64/69/43/1131646943.db2.gz JZGOKDZFUVYLPD-ZFWWWQNUSA-N 1 2 346.377 3.983 20 0 EHADLO S=C(NC1CCCCC1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741874446 1131662809 /nfs/dbraw/zinc/66/28/09/1131662809.db2.gz IAUZPSIKPORDOY-QGZVFWFLSA-N 1 2 340.496 3.694 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCSc2ccccc21 ZINC000742056862 1131683858 /nfs/dbraw/zinc/68/38/58/1131683858.db2.gz ZPFHQQYXWFTKDK-WBVHZDCISA-N 1 2 343.496 3.694 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc3ccccn3c2=S)CC[C@@H]1c1ccccc1 ZINC000742166971 1131691900 /nfs/dbraw/zinc/69/19/00/1131691900.db2.gz RPWIQQMMRQAEIT-WBVHZDCISA-N 1 2 338.480 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc3ccccn3c2=S)CC[C@@H]1c1ccccc1 ZINC000742166971 1131691901 /nfs/dbraw/zinc/69/19/01/1131691901.db2.gz RPWIQQMMRQAEIT-WBVHZDCISA-N 1 2 338.480 3.948 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(Br)cn2)CC[C@H]1c1ccccc1 ZINC000742164431 1131692042 /nfs/dbraw/zinc/69/20/42/1131692042.db2.gz IDRABUPDUZDNPC-XJKSGUPXSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(Br)cn2)CC[C@H]1c1ccccc1 ZINC000742164431 1131692045 /nfs/dbraw/zinc/69/20/45/1131692045.db2.gz IDRABUPDUZDNPC-XJKSGUPXSA-N 1 2 334.261 3.729 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742196374 1131696161 /nfs/dbraw/zinc/69/61/61/1131696161.db2.gz LSLYLJCDOUDEOQ-CQSZACIVSA-N 1 2 344.480 3.590 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742196374 1131696163 /nfs/dbraw/zinc/69/61/63/1131696163.db2.gz LSLYLJCDOUDEOQ-CQSZACIVSA-N 1 2 344.480 3.590 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001143619430 1131698282 /nfs/dbraw/zinc/69/82/82/1131698282.db2.gz PMLOHXDNWGHRRL-SFHVURJKSA-N 1 2 340.414 3.573 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001143619430 1131698284 /nfs/dbraw/zinc/69/82/84/1131698284.db2.gz PMLOHXDNWGHRRL-SFHVURJKSA-N 1 2 340.414 3.573 20 0 EHADLO Cc1ccc(N2CCC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2=O)cc1 ZINC000742419289 1131722221 /nfs/dbraw/zinc/72/22/21/1131722221.db2.gz ARBBHFDZWAUHGQ-KRWDZBQOSA-N 1 2 336.439 3.578 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnc4c(Cl)cccc4c3)cc2)C1 ZINC001212667345 1131754183 /nfs/dbraw/zinc/75/41/83/1131754183.db2.gz NNVNOKRJPXXQCC-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(C4CCCCC4)no3)cc2)C1 ZINC001212664264 1131755825 /nfs/dbraw/zinc/75/58/25/1131755825.db2.gz FHZHTIUELNTVNP-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000742598677 1131758025 /nfs/dbraw/zinc/75/80/25/1131758025.db2.gz FXJVBYUNSLWDQS-QBIMZIAESA-N 1 2 348.487 3.697 20 0 EHADLO CCCCCC[C@@H](CCCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172518630 1131766038 /nfs/dbraw/zinc/76/60/38/1131766038.db2.gz ZUIDMRJKQGRYST-CVEARBPZSA-N 1 2 329.481 3.600 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3N3CCCCC3)cc2)C1 ZINC001212669101 1131769627 /nfs/dbraw/zinc/76/96/27/1131769627.db2.gz GXIKRYCWTVBZEJ-UHFFFAOYSA-N 1 2 337.467 3.597 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)[C@@H]2C ZINC001172558272 1131770319 /nfs/dbraw/zinc/77/03/19/1131770319.db2.gz IERCNAQMRDJOMD-NXHRZFHOSA-N 1 2 325.456 3.742 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)[C@@H]2C ZINC001172558272 1131770325 /nfs/dbraw/zinc/77/03/25/1131770325.db2.gz IERCNAQMRDJOMD-NXHRZFHOSA-N 1 2 325.456 3.742 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCn2ccnc2C1 ZINC001172571680 1131778155 /nfs/dbraw/zinc/77/81/55/1131778155.db2.gz QETSPQNRXZPLOQ-LLVKDONJSA-N 1 2 325.790 3.652 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCn2ccnc2C1 ZINC001172571680 1131778160 /nfs/dbraw/zinc/77/81/60/1131778160.db2.gz QETSPQNRXZPLOQ-LLVKDONJSA-N 1 2 325.790 3.652 20 0 EHADLO CCC/C(C)=C/C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000742942595 1131816278 /nfs/dbraw/zinc/81/62/78/1131816278.db2.gz QFNBNDMFCIYURM-BMRADRMJSA-N 1 2 329.488 3.893 20 0 EHADLO FC1(F)CN([C@H]2Cc3ccc(Cl)cc3C2)CC[C@H]1[NH+]1CCCC1 ZINC001172721534 1131822374 /nfs/dbraw/zinc/82/23/74/1131822374.db2.gz COLFIIYDHIHMIY-DLBZAZTESA-N 1 2 340.845 3.613 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000180712676 1131823455 /nfs/dbraw/zinc/82/34/55/1131823455.db2.gz HJJMLYCTAJEBOK-GHMZBOCLSA-N 1 2 338.249 3.599 20 0 EHADLO COC(=O)[C@H](COC(C)(C)C)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818789 1131850971 /nfs/dbraw/zinc/85/09/71/1131850971.db2.gz SPHHVWXIZCWSBS-ACBHZAAOSA-N 1 2 347.499 3.734 20 0 EHADLO CSCC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc2C1)C(=O)OC(C)C ZINC001172830945 1131855244 /nfs/dbraw/zinc/85/52/44/1131855244.db2.gz LLYOAFGESCYZQT-MSOLQXFVSA-N 1 2 335.513 3.515 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001172868419 1131862871 /nfs/dbraw/zinc/86/28/71/1131862871.db2.gz HJNVMAYRNSNPTI-SCLBCKFNSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001172868419 1131862878 /nfs/dbraw/zinc/86/28/78/1131862878.db2.gz HJNVMAYRNSNPTI-SCLBCKFNSA-N 1 2 334.822 3.879 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172854798 1131872864 /nfs/dbraw/zinc/87/28/64/1131872864.db2.gz RVUHCSCJFNDFDS-FZKQIMNGSA-N 1 2 349.833 3.784 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[NH+]1CCC(C)(C)CC1 ZINC000743361602 1131902354 /nfs/dbraw/zinc/90/23/54/1131902354.db2.gz QKXKJXFZDIBDMF-UHFFFAOYSA-N 1 2 330.428 3.513 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743386688 1131907539 /nfs/dbraw/zinc/90/75/39/1131907539.db2.gz SGGKCTLIILZTBE-HXUWFJFHSA-N 1 2 344.455 3.903 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743386688 1131907543 /nfs/dbraw/zinc/90/75/43/1131907543.db2.gz SGGKCTLIILZTBE-HXUWFJFHSA-N 1 2 344.455 3.903 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2C[C@H](C)S[C@@H](C)C2)C1 ZINC000743376535 1131913410 /nfs/dbraw/zinc/91/34/10/1131913410.db2.gz KUTOFOOHGVKRPB-MELADBBJSA-N 1 2 340.558 3.598 20 0 EHADLO O=c1cc(C(F)(F)F)[nH]cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693997 1131921247 /nfs/dbraw/zinc/92/12/47/1131921247.db2.gz DMQNBAKEMAHNNG-UHFFFAOYSA-N 1 2 334.301 3.794 20 0 EHADLO Cc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)nc1Br ZINC001212694967 1131924148 /nfs/dbraw/zinc/92/41/48/1131924148.db2.gz GVZPOLMNVMAZFL-UHFFFAOYSA-N 1 2 344.216 3.536 20 0 EHADLO COC(=O)[C@@H]1CCc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212699866 1131934060 /nfs/dbraw/zinc/93/40/60/1131934060.db2.gz HWPQFHKVJNVILD-HXUWFJFHSA-N 1 2 347.418 3.878 20 0 EHADLO COC(=O)[C@H]1Cc2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2C1 ZINC001212699984 1131935165 /nfs/dbraw/zinc/93/51/65/1131935165.db2.gz NMAIYGDDQJQZCC-KRWDZBQOSA-N 1 2 347.418 3.563 20 0 EHADLO C[C@H]1CC[C@H]([NH+]2CC(Oc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001173069315 1131954135 /nfs/dbraw/zinc/95/41/35/1131954135.db2.gz IVSQSSZNDJSLRF-HOTGVXAUSA-N 1 2 346.471 3.538 20 0 EHADLO CCCOC1CCC(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173103182 1131966764 /nfs/dbraw/zinc/96/67/64/1131966764.db2.gz YALQXSPNDZSBLK-JCYILVPMSA-N 1 2 330.463 3.530 20 0 EHADLO CCCOC1CCC([N@@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173103182 1131966774 /nfs/dbraw/zinc/96/67/74/1131966774.db2.gz YALQXSPNDZSBLK-JCYILVPMSA-N 1 2 330.463 3.530 20 0 EHADLO CCCOC1CCC([N@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173103182 1131966779 /nfs/dbraw/zinc/96/67/79/1131966779.db2.gz YALQXSPNDZSBLK-JCYILVPMSA-N 1 2 330.463 3.530 20 0 EHADLO CCCOC1CCC([N@@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173103197 1131967260 /nfs/dbraw/zinc/96/72/60/1131967260.db2.gz YDUMVRRWOKFPRM-ABHNRTSZSA-N 1 2 344.490 3.920 20 0 EHADLO CCCOC1CCC([N@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173103197 1131967264 /nfs/dbraw/zinc/96/72/64/1131967264.db2.gz YDUMVRRWOKFPRM-ABHNRTSZSA-N 1 2 344.490 3.920 20 0 EHADLO CCCOC1CCC(N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173103197 1131967269 /nfs/dbraw/zinc/96/72/69/1131967269.db2.gz YDUMVRRWOKFPRM-ABHNRTSZSA-N 1 2 344.490 3.920 20 0 EHADLO CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)C1 ZINC001173263080 1132023809 /nfs/dbraw/zinc/02/38/09/1132023809.db2.gz ILIKDZDHIADNOT-HFTRVMKXSA-N 1 2 333.472 3.813 20 0 EHADLO CCc1ccc(C[C@H](C)[N@@H+]2CCn3c(COC)cnc3[C@@H]2C)cc1 ZINC001173241344 1132028615 /nfs/dbraw/zinc/02/86/15/1132028615.db2.gz VNUYMCTYZHZJRU-HOTGVXAUSA-N 1 2 327.472 3.600 20 0 EHADLO CCc1ccc(C[C@H](C)[N@H+]2CCn3c(COC)cnc3[C@@H]2C)cc1 ZINC001173241344 1132028620 /nfs/dbraw/zinc/02/86/20/1132028620.db2.gz VNUYMCTYZHZJRU-HOTGVXAUSA-N 1 2 327.472 3.600 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@H]1CCOc2cc(F)ccc21)c1ccccc1 ZINC000766306812 1132066993 /nfs/dbraw/zinc/06/69/93/1132066993.db2.gz IZPAFHWMDDVRGL-HKUYNNGSSA-N 1 2 343.398 3.886 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@H]1CCOc2cc(F)ccc21)c1ccccc1 ZINC000766306812 1132066998 /nfs/dbraw/zinc/06/69/98/1132066998.db2.gz IZPAFHWMDDVRGL-HKUYNNGSSA-N 1 2 343.398 3.886 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C[C@H](CC(C)C)CC2=O)cc1 ZINC000744435548 1132091565 /nfs/dbraw/zinc/09/15/65/1132091565.db2.gz XRTMOHGTYLJORX-IEBWSBKVSA-N 1 2 346.540 3.937 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C[C@H](CC(C)C)CC2=O)cc1 ZINC000744435548 1132091572 /nfs/dbraw/zinc/09/15/72/1132091572.db2.gz XRTMOHGTYLJORX-IEBWSBKVSA-N 1 2 346.540 3.937 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@H](CC(C)C)C3)[nH]2)cc1 ZINC000744437624 1132099109 /nfs/dbraw/zinc/09/91/09/1132099109.db2.gz XIBAVRPQTYBUJF-CQSZACIVSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@H](CC(C)C)C3)[nH]2)cc1 ZINC000744437624 1132099117 /nfs/dbraw/zinc/09/91/17/1132099117.db2.gz XIBAVRPQTYBUJF-CQSZACIVSA-N 1 2 346.500 3.942 20 0 EHADLO CC[N@H+](Cc1nc(Br)oc1C)Cc1ccc(F)cc1 ZINC001249390430 1132159705 /nfs/dbraw/zinc/15/97/05/1132159705.db2.gz QGLRCXFTHILWCW-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1nc(Br)oc1C)Cc1ccc(F)cc1 ZINC001249390430 1132159709 /nfs/dbraw/zinc/15/97/09/1132159709.db2.gz QGLRCXFTHILWCW-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO O=C(OCCCC1CCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744964896 1132173526 /nfs/dbraw/zinc/17/35/26/1132173526.db2.gz WAZLMPFSIRPEGW-HXUWFJFHSA-N 1 2 345.483 3.698 20 0 EHADLO CS(=O)(=O)c1ccccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001173989254 1132196102 /nfs/dbraw/zinc/19/61/02/1132196102.db2.gz JJVATXSIRMAXSQ-UHFFFAOYSA-N 1 2 330.453 3.824 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(F)c1 ZINC001174143928 1132252950 /nfs/dbraw/zinc/25/29/50/1132252950.db2.gz QOBAIYAKWLWKDS-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2cccc(N3CCCCC3)c2)c1 ZINC001174301651 1132302221 /nfs/dbraw/zinc/30/22/21/1132302221.db2.gz FDVOPUUECYZJAD-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)[nH+]1 ZINC001174259195 1132304299 /nfs/dbraw/zinc/30/42/99/1132304299.db2.gz AVCHFVZSBBTMEA-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO Cn1cc(-c2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2)cn1 ZINC001174377865 1132341594 /nfs/dbraw/zinc/34/15/94/1132341594.db2.gz LKKNKJNBIFMWCW-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000745983084 1132342579 /nfs/dbraw/zinc/34/25/79/1132342579.db2.gz DOMLBIUPFZVDDP-DGCLKSJQSA-N 1 2 349.862 3.643 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000745983084 1132342583 /nfs/dbraw/zinc/34/25/83/1132342583.db2.gz DOMLBIUPFZVDDP-DGCLKSJQSA-N 1 2 349.862 3.643 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cc4n(n3)CC(F)(F)CO4)ccc21 ZINC001174382155 1132344295 /nfs/dbraw/zinc/34/42/95/1132344295.db2.gz BDKSESFKNARADV-UHFFFAOYSA-N 1 2 333.342 3.585 20 0 EHADLO c1cnc2c(c1)cccc2Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432575 1132354074 /nfs/dbraw/zinc/35/40/74/1132354074.db2.gz TUIVJCBAVBTWPQ-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO Cc1cccc(F)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432753 1132354177 /nfs/dbraw/zinc/35/41/77/1132354177.db2.gz XKLYBDGVSFLOSV-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)ccc1O ZINC001174538353 1132388570 /nfs/dbraw/zinc/38/85/70/1132388570.db2.gz GXTBOXANPGKMTI-UHFFFAOYSA-N 1 2 331.372 3.886 20 0 EHADLO O=c1[nH]cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1C(F)(F)F ZINC001174522613 1132400700 /nfs/dbraw/zinc/40/07/00/1132400700.db2.gz OXAQVUPFWKWXDZ-UHFFFAOYSA-N 1 2 338.333 3.935 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524347 1132401348 /nfs/dbraw/zinc/40/13/48/1132401348.db2.gz GYPFVCKXWWJIOU-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccn4cc[nH+]c34)c(C)n2)cc1 ZINC001174576580 1132403882 /nfs/dbraw/zinc/40/38/82/1132403882.db2.gz ZKJHMTNVFODLFP-UHFFFAOYSA-N 1 2 333.395 3.640 20 0 EHADLO CCC(C)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000185473834 1132414143 /nfs/dbraw/zinc/41/41/43/1132414143.db2.gz DBAZAEQEKLTZAL-INIZCTEOSA-N 1 2 332.488 3.727 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3)c[nH+]2)CC1 ZINC001174768792 1132459871 /nfs/dbraw/zinc/45/98/71/1132459871.db2.gz DKSVSXXHVWJJRT-UHFFFAOYSA-N 1 2 337.345 3.805 20 0 EHADLO FC(F)(F)c1cncc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001174743856 1132463310 /nfs/dbraw/zinc/46/33/10/1132463310.db2.gz QRDOJEMREREDDS-UHFFFAOYSA-N 1 2 337.345 3.676 20 0 EHADLO CC(C)(C)c1ccc(C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)cc1 ZINC000193037043 1132477739 /nfs/dbraw/zinc/47/77/39/1132477739.db2.gz LGIDRTNMXDSOML-UHFFFAOYSA-N 1 2 339.483 3.878 20 0 EHADLO CC(C)(C)c1ccc(C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)cc1 ZINC000193037043 1132477744 /nfs/dbraw/zinc/47/77/44/1132477744.db2.gz LGIDRTNMXDSOML-UHFFFAOYSA-N 1 2 339.483 3.878 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000193031895 1132478002 /nfs/dbraw/zinc/47/80/02/1132478002.db2.gz VNJRFJDSEUMAET-UHFFFAOYSA-N 1 2 327.428 3.940 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000193031895 1132478008 /nfs/dbraw/zinc/47/80/08/1132478008.db2.gz VNJRFJDSEUMAET-UHFFFAOYSA-N 1 2 327.428 3.940 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(OCCCC(C)C)c1 ZINC000193510823 1132481119 /nfs/dbraw/zinc/48/11/19/1132481119.db2.gz DMMHWGQLBKVSLJ-UHFFFAOYSA-N 1 2 343.471 3.782 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(OCCCC(C)C)c1 ZINC000193510823 1132481125 /nfs/dbraw/zinc/48/11/25/1132481125.db2.gz DMMHWGQLBKVSLJ-UHFFFAOYSA-N 1 2 343.471 3.782 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001174883971 1132481325 /nfs/dbraw/zinc/48/13/25/1132481325.db2.gz JMQHQCCLQQHPQZ-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001174883971 1132481330 /nfs/dbraw/zinc/48/13/30/1132481330.db2.gz JMQHQCCLQQHPQZ-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc4cccnc43)c[nH+]2)C[C@H](C)O1 ZINC001174856775 1132489091 /nfs/dbraw/zinc/48/90/91/1132489091.db2.gz QJXHKFGSFDPJFT-GASCZTMLSA-N 1 2 334.423 3.987 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2ncn(CC)c2=S)CC[C@H]1c1ccccc1 ZINC000746382789 1132505216 /nfs/dbraw/zinc/50/52/16/1132505216.db2.gz OIVMUPDBMKTONL-NVXWUHKLSA-N 1 2 330.501 3.907 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2ncn(CC)c2=S)CC[C@H]1c1ccccc1 ZINC000746382789 1132505221 /nfs/dbraw/zinc/50/52/21/1132505221.db2.gz OIVMUPDBMKTONL-NVXWUHKLSA-N 1 2 330.501 3.907 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)C(=O)OC ZINC001174925169 1132507905 /nfs/dbraw/zinc/50/79/05/1132507905.db2.gz QBGQKKPQDRENLQ-STECZYCISA-N 1 2 341.879 3.575 20 0 EHADLO O=C1CCCCc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc21 ZINC001174976818 1132511756 /nfs/dbraw/zinc/51/17/56/1132511756.db2.gz CUHYPBYJMHPBPM-UHFFFAOYSA-N 1 2 337.423 3.571 20 0 EHADLO c1cncc(Oc2cccc(Nc3ccc(N4CCOCC4)[nH+]c3)c2)c1 ZINC001174979251 1132533267 /nfs/dbraw/zinc/53/32/67/1132533267.db2.gz IHSCSOGUFGMGKN-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000766430922 1132542680 /nfs/dbraw/zinc/54/26/80/1132542680.db2.gz QVNCETLNUAMZCJ-JSGCOSHPSA-N 1 2 331.464 3.587 20 0 EHADLO Cc1nc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)nc2ccccc12 ZINC000746472016 1132550384 /nfs/dbraw/zinc/55/03/84/1132550384.db2.gz YYNJNFQEWQLZLZ-FQEVSTJZSA-N 1 2 343.434 3.666 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccns1 ZINC001175110330 1132555570 /nfs/dbraw/zinc/55/55/70/1132555570.db2.gz CUORMQJWHUNNHN-MRVPVSSYSA-N 1 2 337.246 3.633 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC001175080396 1132561869 /nfs/dbraw/zinc/56/18/69/1132561869.db2.gz WDQQFXFKIZQCFF-ZDUSSCGKSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001175080396 1132561875 /nfs/dbraw/zinc/56/18/75/1132561875.db2.gz WDQQFXFKIZQCFF-ZDUSSCGKSA-N 1 2 328.225 3.515 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001175140689 1132579967 /nfs/dbraw/zinc/57/99/67/1132579967.db2.gz OFMFHJBMHRTFGW-UHFFFAOYSA-N 1 2 344.377 3.588 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001175140689 1132579972 /nfs/dbraw/zinc/57/99/72/1132579972.db2.gz OFMFHJBMHRTFGW-UHFFFAOYSA-N 1 2 344.377 3.588 20 0 EHADLO CCOc1cc(C)c(Nc2ccc[nH+]c2N2CCOCC2)c(C)c1 ZINC001175171695 1132588049 /nfs/dbraw/zinc/58/80/49/1132588049.db2.gz FAOVVGZEELBPGG-UHFFFAOYSA-N 1 2 327.428 3.677 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CCC(C)(C)OC ZINC001175175762 1132589264 /nfs/dbraw/zinc/58/92/64/1132589264.db2.gz WLMBSMOGBVKXGI-LJQANCHMSA-N 1 2 343.467 3.719 20 0 EHADLO O=C(c1ccccc1)N1CCC[C@H](Nc2[nH+]cccc2-n2cccc2)C1 ZINC001168891993 1132589398 /nfs/dbraw/zinc/58/93/98/1132589398.db2.gz GVVYEYDOCSCAIT-SFHVURJKSA-N 1 2 346.434 3.589 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000766549029 1132608306 /nfs/dbraw/zinc/60/83/06/1132608306.db2.gz HMDUHRSQXSRNQF-ZDUSSCGKSA-N 1 2 344.484 3.639 20 0 EHADLO Fc1ccc(NCc2ccccc2-n2cccn2)cc1-n1cc[nH+]c1 ZINC001168973415 1132624969 /nfs/dbraw/zinc/62/49/69/1132624969.db2.gz ZKIWSOPJNCFLSM-UHFFFAOYSA-N 1 2 333.370 3.809 20 0 EHADLO CN(C)c1ccc(Nc2c(Br)ccc(F)c2F)c[nH+]1 ZINC001175343306 1132627885 /nfs/dbraw/zinc/62/78/85/1132627885.db2.gz FQONEUCRQRVXBF-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175344022 1132628157 /nfs/dbraw/zinc/62/81/57/1132628157.db2.gz NLWCKKGFZAKYEI-UHFFFAOYSA-N 1 2 333.819 3.650 20 0 EHADLO COC(=O)c1cc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c(C)c1F ZINC001175348694 1132630422 /nfs/dbraw/zinc/63/04/22/1132630422.db2.gz HTDQFKHOKAMOQI-UHFFFAOYSA-N 1 2 347.365 3.799 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)c[nH+]1 ZINC001175340120 1132644012 /nfs/dbraw/zinc/64/40/12/1132644012.db2.gz ALHIBHQTYUWVLS-UHFFFAOYSA-N 1 2 330.395 3.601 20 0 EHADLO CC[C@@H]1C[C@H]1C[N@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175503914 1132691106 /nfs/dbraw/zinc/69/11/06/1132691106.db2.gz SVGRDOAMKRDGGB-NRUUGDAUSA-N 1 2 346.290 3.703 20 0 EHADLO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175503914 1132691112 /nfs/dbraw/zinc/69/11/12/1132691112.db2.gz SVGRDOAMKRDGGB-NRUUGDAUSA-N 1 2 346.290 3.703 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001175607086 1132723917 /nfs/dbraw/zinc/72/39/17/1132723917.db2.gz ZTODEGWUGJCWIL-UHFFFAOYSA-N 1 2 332.407 3.567 20 0 EHADLO Cn1cc2cc(Nc3cc(Br)cn4cc[nH+]c34)ccc2n1 ZINC001175617268 1132727604 /nfs/dbraw/zinc/72/76/04/1132727604.db2.gz SGSBWNAKNLPWAW-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(-c3ccccc3)cnn2)c[nH+]1 ZINC001175712007 1132740144 /nfs/dbraw/zinc/74/01/44/1132740144.db2.gz FJHLZCOLWLUDHQ-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO c1cn(-c2ccccc2Nc2ccc(OC3CCOCC3)nc2)c[nH+]1 ZINC001175727450 1132745632 /nfs/dbraw/zinc/74/56/32/1132745632.db2.gz YGQWNNYZNIZYRH-UHFFFAOYSA-N 1 2 336.395 3.569 20 0 EHADLO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC001169494628 1132770878 /nfs/dbraw/zinc/77/08/78/1132770878.db2.gz MYALKVGACPLAQQ-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC001169494628 1132770883 /nfs/dbraw/zinc/77/08/83/1132770883.db2.gz MYALKVGACPLAQQ-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CCSc1ccccc1C[N@@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001175861666 1132786441 /nfs/dbraw/zinc/78/64/41/1132786441.db2.gz PLBREGDUZNLHFI-UHFFFAOYSA-N 1 2 327.453 3.687 20 0 EHADLO CCSc1ccccc1C[N@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001175861666 1132786448 /nfs/dbraw/zinc/78/64/48/1132786448.db2.gz PLBREGDUZNLHFI-UHFFFAOYSA-N 1 2 327.453 3.687 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCCc3coc4ccccc34)nn2)c1C ZINC001169591259 1132789904 /nfs/dbraw/zinc/78/99/04/1132789904.db2.gz SWMBWAVEBMCNGS-UHFFFAOYSA-N 1 2 333.395 3.680 20 0 EHADLO CN(C)C(=O)c1ccc(F)c(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001176043818 1132812368 /nfs/dbraw/zinc/81/23/68/1132812368.db2.gz QABSCGHURYFHLQ-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC001176149623 1132847047 /nfs/dbraw/zinc/84/70/47/1132847047.db2.gz MVBYJWCRHCTXID-UHFFFAOYSA-N 1 2 344.846 3.781 20 0 EHADLO Cn1c[nH+]c2cc(Nc3cc(C(=O)N4CCCC4)ccc3F)ccc21 ZINC001176213408 1132876373 /nfs/dbraw/zinc/87/63/73/1132876373.db2.gz RLOGCSFRFDMYKY-UHFFFAOYSA-N 1 2 338.386 3.692 20 0 EHADLO Cc1cc(C)c2[nH+]c(N[C@H]3c4ccccc4CNC3=O)cc(C)c2c1 ZINC001169883349 1132878472 /nfs/dbraw/zinc/87/84/72/1132878472.db2.gz VMZSNKBXAQJGKB-FQEVSTJZSA-N 1 2 331.419 3.943 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C2CC2)C2CCCCC2)c1C ZINC000766913019 1132913320 /nfs/dbraw/zinc/91/33/20/1132913320.db2.gz GNTOCRJUMFJFCB-UHFFFAOYSA-N 1 2 331.460 3.714 20 0 EHADLO Cc1cc(C)[nH+]c(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1 ZINC001176403707 1132931476 /nfs/dbraw/zinc/93/14/76/1132931476.db2.gz PLMHZTXSXBLXSZ-UHFFFAOYSA-N 1 2 344.358 3.864 20 0 EHADLO Cc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)on1 ZINC000767035563 1132937392 /nfs/dbraw/zinc/93/73/92/1132937392.db2.gz RPGFTYVFXWEVOC-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO Cc1cc(C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)on1 ZINC000767035563 1132937394 /nfs/dbraw/zinc/93/73/94/1132937394.db2.gz RPGFTYVFXWEVOC-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO c1c[nH+]c(Nc2ccc(-c3ccncc3)cc2)c(N2CCOCC2)c1 ZINC001176696369 1132984365 /nfs/dbraw/zinc/98/43/65/1132984365.db2.gz YCUIFGSVKNGHRR-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1nc(Nc2ccc(Cl)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001176726332 1132988239 /nfs/dbraw/zinc/98/82/39/1132988239.db2.gz OKWGVXHGXSEIKO-VXGBXAGGSA-N 1 2 332.835 3.796 20 0 EHADLO Cc1ccc(Oc2ncccc2NC(=O)Cc2c[nH]c[nH+]2)c2c1CCC2 ZINC001176826481 1133003365 /nfs/dbraw/zinc/00/33/65/1133003365.db2.gz PTFWJVJGXMUGCS-UHFFFAOYSA-N 1 2 348.406 3.575 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001176872029 1133006125 /nfs/dbraw/zinc/00/61/25/1133006125.db2.gz UQYOHUNUTVIKJT-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001176872029 1133006127 /nfs/dbraw/zinc/00/61/27/1133006127.db2.gz UQYOHUNUTVIKJT-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc3ccccc3c(Cl)n2)cc[nH+]1 ZINC000767481331 1133008985 /nfs/dbraw/zinc/00/89/85/1133008985.db2.gz HALNVXCMTBQGJG-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC001176969290 1133017136 /nfs/dbraw/zinc/01/71/36/1133017136.db2.gz BGTCZBAYWILEGQ-IXDOHACOSA-N 1 2 329.488 3.629 20 0 EHADLO CC/C(=C\C(=O)OCc1cc[nH+]c(N(C)C)c1)c1ccc(OC)cc1 ZINC000767578137 1133018134 /nfs/dbraw/zinc/01/81/34/1133018134.db2.gz VMJVFPRMMVEOLR-DTQAZKPQSA-N 1 2 340.423 3.693 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cccc(F)c2o1 ZINC000742055820 1133037699 /nfs/dbraw/zinc/03/76/99/1133037699.db2.gz NHDRNDNXRBARGS-OAHLLOKOSA-N 1 2 329.375 3.613 20 0 EHADLO CC(C)C[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001169974493 1133045703 /nfs/dbraw/zinc/04/57/03/1133045703.db2.gz IMCMBOARIYBBOA-HNNXBMFYSA-N 1 2 342.524 3.743 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773676377 1133077224 /nfs/dbraw/zinc/07/72/24/1133077224.db2.gz QWGHUYPTABBQMG-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773676377 1133077227 /nfs/dbraw/zinc/07/72/27/1133077227.db2.gz QWGHUYPTABBQMG-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)CCC2)c1 ZINC000768138107 1133101478 /nfs/dbraw/zinc/10/14/78/1133101478.db2.gz JWTLTQLQASOKAC-KRWDZBQOSA-N 1 2 337.467 3.556 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1nccc2ccccc21 ZINC000768170706 1133105125 /nfs/dbraw/zinc/10/51/25/1133105125.db2.gz UGRIAMQVPLDMHU-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1nccc2ccccc21 ZINC000768170706 1133105128 /nfs/dbraw/zinc/10/51/28/1133105128.db2.gz UGRIAMQVPLDMHU-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH+]1CCSCC1 ZINC000768238239 1133112202 /nfs/dbraw/zinc/11/22/02/1133112202.db2.gz XVTKYUUJSAJSMH-UHFFFAOYSA-N 1 2 335.904 3.750 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000768235052 1133115985 /nfs/dbraw/zinc/11/59/85/1133115985.db2.gz WHURGKWIWWNGIC-UHFFFAOYSA-N 1 2 340.254 3.812 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000768287767 1133120831 /nfs/dbraw/zinc/12/08/31/1133120831.db2.gz RQKFJUFXEAAEPR-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c(OC(C)C)c1 ZINC001178000154 1133123204 /nfs/dbraw/zinc/12/32/04/1133123204.db2.gz ZKHWDICPUYBTBE-UHFFFAOYSA-N 1 2 336.439 3.653 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(OCC)cc3)CC2)C1 ZINC000768471351 1133146369 /nfs/dbraw/zinc/14/63/69/1133146369.db2.gz NWCDSKQVBUPBNF-QGZVFWFLSA-N 1 2 342.483 3.781 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(OCC)cc3)CC2)C1 ZINC000768471351 1133146371 /nfs/dbraw/zinc/14/63/71/1133146371.db2.gz NWCDSKQVBUPBNF-QGZVFWFLSA-N 1 2 342.483 3.781 20 0 EHADLO Cc1ccc2c(/C=C/C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c[nH]c2c1 ZINC001178492816 1133168627 /nfs/dbraw/zinc/16/86/27/1133168627.db2.gz XLXGYPWJLPTISD-BIENSFFJSA-N 1 2 334.423 3.619 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1ccc(CSC(F)F)o1)CC2 ZINC000768867151 1133192782 /nfs/dbraw/zinc/19/27/82/1133192782.db2.gz DVJVSPLMDSEUJJ-UHFFFAOYSA-N 1 2 325.380 3.999 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1ccc(CSC(F)F)o1)CC2 ZINC000768867151 1133192784 /nfs/dbraw/zinc/19/27/84/1133192784.db2.gz DVJVSPLMDSEUJJ-UHFFFAOYSA-N 1 2 325.380 3.999 20 0 EHADLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001178794620 1133198792 /nfs/dbraw/zinc/19/87/92/1133198792.db2.gz MIDVZOVJMSTDRI-JTQLQIEISA-N 1 2 341.798 3.642 20 0 EHADLO CSc1ccc(CCCC(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001179092428 1133226908 /nfs/dbraw/zinc/22/69/08/1133226908.db2.gz NMGPUXDLVHBFGD-UHFFFAOYSA-N 1 2 331.485 3.894 20 0 EHADLO CSc1ccc(CCCC(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001179092428 1133226915 /nfs/dbraw/zinc/22/69/15/1133226915.db2.gz NMGPUXDLVHBFGD-UHFFFAOYSA-N 1 2 331.485 3.894 20 0 EHADLO Fc1ncc(Br)cc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC001206376566 1133242872 /nfs/dbraw/zinc/24/28/72/1133242872.db2.gz JIAGKJUSTXUEKD-UKRRQHHQSA-N 1 2 339.183 3.710 20 0 EHADLO COc1cccc2[nH]c(NCc3c(C)nn(C(C)(C)C)c3C)[nH+]c21 ZINC001179494829 1133256992 /nfs/dbraw/zinc/25/69/92/1133256992.db2.gz WIQYIVLARWHERN-UHFFFAOYSA-N 1 2 327.432 3.752 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000769388468 1133274879 /nfs/dbraw/zinc/27/48/79/1133274879.db2.gz AGVMJEJANPJAIK-QINHECLXSA-N 1 2 339.435 3.824 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000769388468 1133274885 /nfs/dbraw/zinc/27/48/85/1133274885.db2.gz AGVMJEJANPJAIK-QINHECLXSA-N 1 2 339.435 3.824 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769388276 1133275607 /nfs/dbraw/zinc/27/56/07/1133275607.db2.gz KGTACUJAERLXAP-WMLDXEAASA-N 1 2 332.444 3.664 20 0 EHADLO CN(C)c1cc(COC(=O)C2CCC(C(F)(F)F)CC2)cc[nH+]1 ZINC000769441504 1133285792 /nfs/dbraw/zinc/28/57/92/1133285792.db2.gz QOHITOSAVIKQFT-UHFFFAOYSA-N 1 2 330.350 3.560 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cn2C)[nH]c1C(C)C ZINC001179980853 1133309912 /nfs/dbraw/zinc/30/99/12/1133309912.db2.gz SINXHXFZDRWIFO-UHFFFAOYSA-N 1 2 337.851 3.549 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)[nH]c1C(C)C ZINC001179980853 1133309915 /nfs/dbraw/zinc/30/99/15/1133309915.db2.gz SINXHXFZDRWIFO-UHFFFAOYSA-N 1 2 337.851 3.549 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769537176 1133310028 /nfs/dbraw/zinc/31/00/28/1133310028.db2.gz IKBYSBNAZQJANS-FQEVSTJZSA-N 1 2 339.435 3.843 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769537176 1133310031 /nfs/dbraw/zinc/31/00/31/1133310031.db2.gz IKBYSBNAZQJANS-FQEVSTJZSA-N 1 2 339.435 3.843 20 0 EHADLO Cc1csc2nc(C)c(C[N@@H+]3CCC[C@H](OCC(F)(F)F)C3)n12 ZINC001180011625 1133316724 /nfs/dbraw/zinc/31/67/24/1133316724.db2.gz QYQUTDJUGWQIBT-LBPRGKRZSA-N 1 2 347.406 3.556 20 0 EHADLO Cc1csc2nc(C)c(C[N@H+]3CCC[C@H](OCC(F)(F)F)C3)n12 ZINC001180011625 1133316728 /nfs/dbraw/zinc/31/67/28/1133316728.db2.gz QYQUTDJUGWQIBT-LBPRGKRZSA-N 1 2 347.406 3.556 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC001180103122 1133332501 /nfs/dbraw/zinc/33/25/01/1133332501.db2.gz DKLVAPYSJIXPJM-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769753762 1133337402 /nfs/dbraw/zinc/33/74/02/1133337402.db2.gz VNRGWZIZRSBLOE-QGZVFWFLSA-N 1 2 349.434 3.602 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000769768931 1133339197 /nfs/dbraw/zinc/33/91/97/1133339197.db2.gz BXQYQUVMCNIXFL-GFCCVEGCSA-N 1 2 342.830 3.575 20 0 EHADLO COc1cc(OC)c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1F ZINC001180810409 1133418964 /nfs/dbraw/zinc/41/89/64/1133418964.db2.gz MGEJHUDVCPOTBW-CYBMUJFWSA-N 1 2 331.387 3.626 20 0 EHADLO COc1cc(OC)c(C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1F ZINC001180810409 1133418965 /nfs/dbraw/zinc/41/89/65/1133418965.db2.gz MGEJHUDVCPOTBW-CYBMUJFWSA-N 1 2 331.387 3.626 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180951829 1133434886 /nfs/dbraw/zinc/43/48/86/1133434886.db2.gz KBJGVCXAFGDBDV-OKILXGFUSA-N 1 2 335.448 3.584 20 0 EHADLO Cc1c(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cnn1C1CCCC1 ZINC000770610677 1133453381 /nfs/dbraw/zinc/45/33/81/1133453381.db2.gz HSCJCFNIYAGZKP-UHFFFAOYSA-N 1 2 342.447 3.720 20 0 EHADLO Nc1cc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc[nH+]1 ZINC001181263416 1133474078 /nfs/dbraw/zinc/47/40/78/1133474078.db2.gz LRNQCGPDMPQZOA-UHFFFAOYSA-N 1 2 329.709 3.517 20 0 EHADLO Cc1ccc(C)c(C(=O)CCC(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770920508 1133484126 /nfs/dbraw/zinc/48/41/26/1133484126.db2.gz JTBXFXPUVSJHPX-UHFFFAOYSA-N 1 2 336.391 3.657 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(F)cc(C(F)(F)F)c1 ZINC000770932364 1133487117 /nfs/dbraw/zinc/48/71/17/1133487117.db2.gz XXPQIOKWIAHZAU-UHFFFAOYSA-N 1 2 338.260 3.849 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCc2sccc21 ZINC000771295036 1133536118 /nfs/dbraw/zinc/53/61/18/1133536118.db2.gz JTOBDOMMXDVMIM-ZBFHGGJFSA-N 1 2 331.485 3.596 20 0 EHADLO O=C(Nc1ccc(SC(F)F)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000771472084 1133559285 /nfs/dbraw/zinc/55/92/85/1133559285.db2.gz CZOLVJPYOGEUBS-UHFFFAOYSA-N 1 2 346.362 3.834 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001182133376 1133576840 /nfs/dbraw/zinc/57/68/40/1133576840.db2.gz RDXAZAZGOBHLND-SJORKVTESA-N 1 2 336.426 3.512 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C)oc(=O)c1)c1ccccc1Cl ZINC001182217616 1133597395 /nfs/dbraw/zinc/59/73/95/1133597395.db2.gz BHUIOKACSHTQGM-QGZVFWFLSA-N 1 2 348.830 3.623 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)OCCn1cc[nH+]c1 ZINC000771926437 1133609821 /nfs/dbraw/zinc/60/98/21/1133609821.db2.gz KEGNYZLTCZOJDP-UHFFFAOYSA-N 1 2 327.211 3.756 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C(=O)OCCn2cc[nH+]c2)cc1F ZINC000771970363 1133622469 /nfs/dbraw/zinc/62/24/69/1133622469.db2.gz RQEZYFHNYGFDJN-UHFFFAOYSA-N 1 2 342.345 3.994 20 0 EHADLO CCC(C)(C)NC(=S)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000774186356 1133628753 /nfs/dbraw/zinc/62/87/53/1133628753.db2.gz ZWIBKCCZJYFLTM-OAHLLOKOSA-N 1 2 328.485 3.550 20 0 EHADLO CCOc1ccccc1-c1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000772124752 1133644032 /nfs/dbraw/zinc/64/40/32/1133644032.db2.gz OTOJHMOAUFUUAI-UHFFFAOYSA-N 1 2 336.391 3.806 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000772182619 1133649309 /nfs/dbraw/zinc/64/93/09/1133649309.db2.gz LIRIQGSPTXVBSA-CABCVRRESA-N 1 2 342.817 3.623 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000772182619 1133649313 /nfs/dbraw/zinc/64/93/13/1133649313.db2.gz LIRIQGSPTXVBSA-CABCVRRESA-N 1 2 342.817 3.623 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2(F)CCCC2)C[C@H](C)O1 ZINC000772232715 1133664031 /nfs/dbraw/zinc/66/40/31/1133664031.db2.gz VLAJLUMGHILZGL-GJZGRUSLSA-N 1 2 334.435 3.517 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(F)cc1Br ZINC001182553836 1133695593 /nfs/dbraw/zinc/69/55/93/1133695593.db2.gz HTJXNULVIKAAAS-GFCCVEGCSA-N 1 2 346.240 3.596 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c(F)cc1Br ZINC001182553836 1133695596 /nfs/dbraw/zinc/69/55/96/1133695596.db2.gz HTJXNULVIKAAAS-GFCCVEGCSA-N 1 2 346.240 3.596 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1C(=O)OC(C)(C)C ZINC001182567131 1133700442 /nfs/dbraw/zinc/70/04/42/1133700442.db2.gz TXDFUKIRRYHTBL-AAEUAGOBSA-N 1 2 343.389 3.904 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1C(=O)OC(C)(C)C ZINC001182567131 1133700449 /nfs/dbraw/zinc/70/04/49/1133700449.db2.gz TXDFUKIRRYHTBL-AAEUAGOBSA-N 1 2 343.389 3.904 20 0 EHADLO CC[C@@H](C)C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC001182575088 1133702103 /nfs/dbraw/zinc/70/21/03/1133702103.db2.gz WNUISGLOKOWDHA-NXAVXKBCSA-N 1 2 325.399 3.778 20 0 EHADLO Cc1sc(NC(=O)C2([NH+](C)C)CC2)c(C(=O)c2ccccc2)c1C ZINC001182593565 1133706065 /nfs/dbraw/zinc/70/60/65/1133706065.db2.gz SREYAMWCDRRTRC-UHFFFAOYSA-N 1 2 342.464 3.629 20 0 EHADLO C[C@@H](c1nc(CCCc2ccccc2Br)no1)[NH+](C)C ZINC000785588788 1133722715 /nfs/dbraw/zinc/72/27/15/1133722715.db2.gz SMTAEPFTAAQPEW-NSHDSACASA-N 1 2 338.249 3.630 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785566325 1133727784 /nfs/dbraw/zinc/72/77/84/1133727784.db2.gz MNWCZGYBDCSLGG-MRXNPFEDSA-N 1 2 326.444 3.640 20 0 EHADLO O=c1cc[nH]c2cc(C[NH2+]Cc3c(Cl)ccnc3Cl)ccc12 ZINC001182781635 1133733601 /nfs/dbraw/zinc/73/36/01/1133733601.db2.gz MFTXAIZRGKQUDV-UHFFFAOYSA-N 1 2 334.206 3.520 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(C)c(Cl)c2)CC12CCC2 ZINC001182854775 1133740293 /nfs/dbraw/zinc/74/02/93/1133740293.db2.gz KZYDPIJRCBAYEL-SFHVURJKSA-N 1 2 339.838 3.906 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccc(C)c(Cl)c2)CC12CCC2 ZINC001182854775 1133740298 /nfs/dbraw/zinc/74/02/98/1133740298.db2.gz KZYDPIJRCBAYEL-SFHVURJKSA-N 1 2 339.838 3.906 20 0 EHADLO COC(=O)Cc1ccc(NC/C(=C/F)CCc2ccc(F)cc2)[nH+]c1 ZINC001170049978 1133750582 /nfs/dbraw/zinc/75/05/82/1133750582.db2.gz DWDXDTACFABIRJ-LFIBNONCSA-N 1 2 346.377 3.834 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cnnn1-c1ccccc1 ZINC001183490776 1133811797 /nfs/dbraw/zinc/81/17/97/1133811797.db2.gz KQXIJASWJLOYGJ-UHFFFAOYSA-N 1 2 325.441 3.528 20 0 EHADLO O[C@@H](COc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000774647211 1133823570 /nfs/dbraw/zinc/82/35/70/1133823570.db2.gz MJBBCAFKJWKJQA-INIZCTEOSA-N 1 2 332.762 3.777 20 0 EHADLO COc1cc(F)cc(OC)c1CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC001203571176 1133826236 /nfs/dbraw/zinc/82/62/36/1133826236.db2.gz FFPZPJGFACTHOT-UHFFFAOYSA-N 1 2 335.766 3.985 20 0 EHADLO COc1cc(F)cc(OC)c1CNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC001203571176 1133826243 /nfs/dbraw/zinc/82/62/43/1133826243.db2.gz FFPZPJGFACTHOT-UHFFFAOYSA-N 1 2 335.766 3.985 20 0 EHADLO COC(=O)c1[nH+]ccc(NC/C(=C/F)CCc2ccc(F)cc2)c1C ZINC001170056182 1133829857 /nfs/dbraw/zinc/82/98/57/1133829857.db2.gz JEEIQWLYZKFXPW-RVDMUPIBSA-N 1 2 346.377 3.636 20 0 EHADLO Cc1cc(OC(F)F)ccc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183750108 1133853315 /nfs/dbraw/zinc/85/33/15/1133853315.db2.gz DKAMJUCUIWOACV-QGZVFWFLSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1cc(OC(F)F)ccc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183750108 1133853324 /nfs/dbraw/zinc/85/33/24/1133853324.db2.gz DKAMJUCUIWOACV-QGZVFWFLSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc4n[nH]cc4c3)c2)[nH+]c1C ZINC000746593845 1133883646 /nfs/dbraw/zinc/88/36/46/1133883646.db2.gz IFUJITFDPIMDEH-UHFFFAOYSA-N 1 2 331.379 3.822 20 0 EHADLO Cc1ccc(C(F)(F)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000780710603 1133934494 /nfs/dbraw/zinc/93/44/94/1133934494.db2.gz VHTAZYGGWONANI-HNNXBMFYSA-N 1 2 335.398 3.514 20 0 EHADLO CCn1c(NCc2ccc(/C=C/C(=O)OC)o2)[nH+]c2cc(F)ccc21 ZINC001184462744 1133943366 /nfs/dbraw/zinc/94/33/66/1133943366.db2.gz OOEKCGNYWOYCFT-VQHVLOKHSA-N 1 2 343.358 3.587 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000787272096 1133987817 /nfs/dbraw/zinc/98/78/17/1133987817.db2.gz ORLFPYBSJURGNB-FEAKQIBJSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000787272096 1133987821 /nfs/dbraw/zinc/98/78/21/1133987821.db2.gz ORLFPYBSJURGNB-FEAKQIBJSA-N 1 2 346.272 3.860 20 0 EHADLO Cc1cc(N2CCN(C(=O)O[C@H](C)CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001184884684 1133996526 /nfs/dbraw/zinc/99/65/26/1133996526.db2.gz ZVFXNKCBBDTSFW-MRXNPFEDSA-N 1 2 348.491 3.602 20 0 EHADLO Oc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1Br ZINC001185043890 1134024470 /nfs/dbraw/zinc/02/44/70/1134024470.db2.gz PPWBQQSWESPMHJ-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cc(Cl)c[nH]1 ZINC000788243350 1134099303 /nfs/dbraw/zinc/09/93/03/1134099303.db2.gz MBLOUMJSGWNWMK-CYBMUJFWSA-N 1 2 346.862 3.726 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cc(Cl)c[nH]1 ZINC000788243350 1134099309 /nfs/dbraw/zinc/09/93/09/1134099309.db2.gz MBLOUMJSGWNWMK-CYBMUJFWSA-N 1 2 346.862 3.726 20 0 EHADLO CC[C@@H](SC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245486 1134100871 /nfs/dbraw/zinc/10/08/71/1134100871.db2.gz RIBQDWULYDFGKH-CZUORRHYSA-N 1 2 335.517 3.573 20 0 EHADLO CC[C@@H](SC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245486 1134100878 /nfs/dbraw/zinc/10/08/78/1134100878.db2.gz RIBQDWULYDFGKH-CZUORRHYSA-N 1 2 335.517 3.573 20 0 EHADLO Cc1csc2nc(C)nc(NCCc3cn4cccc(C)c4[nH+]3)c12 ZINC001185592218 1134111192 /nfs/dbraw/zinc/11/11/92/1134111192.db2.gz DFTKRUBRLXNMGI-UHFFFAOYSA-N 1 2 337.452 3.919 20 0 EHADLO CCCOc1ncccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788562063 1134143318 /nfs/dbraw/zinc/14/33/18/1134143318.db2.gz FMDXALWQXBGZAV-MRXNPFEDSA-N 1 2 332.831 3.885 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)c1nnc2n1CCCCC2 ZINC000788590814 1134148962 /nfs/dbraw/zinc/14/89/62/1134148962.db2.gz WJKSLZCVDZJGPW-KBPBESRZSA-N 1 2 345.878 3.781 20 0 EHADLO CCCN(CCNc1cc(CC)[nH+]c(CC)n1)C(=O)OC(C)(C)C ZINC001185979574 1134157538 /nfs/dbraw/zinc/15/75/38/1134157538.db2.gz QLVCBLJXVWUMKM-UHFFFAOYSA-N 1 2 336.480 3.660 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)o1 ZINC000789306696 1134251044 /nfs/dbraw/zinc/25/10/44/1134251044.db2.gz RIAWOHJKYZIUBA-GOSISDBHSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)o1 ZINC000789306696 1134251047 /nfs/dbraw/zinc/25/10/47/1134251047.db2.gz RIAWOHJKYZIUBA-GOSISDBHSA-N 1 2 326.440 3.751 20 0 EHADLO CSc1ccccc1NC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001186753515 1134252229 /nfs/dbraw/zinc/25/22/29/1134252229.db2.gz KQYPLVOELGZWPO-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO Cc1cc(NCCc2ccc3c(c2)OC(F)(F)O3)nc(C2CC2)[nH+]1 ZINC001186887617 1134266926 /nfs/dbraw/zinc/26/69/26/1134266926.db2.gz ABNXWPLWOQLFBG-UHFFFAOYSA-N 1 2 333.338 3.639 20 0 EHADLO CCc1cc(N2CCc3c(ccc(OC)c3OC)[C@H]2CC)nc(C)[nH+]1 ZINC001186923405 1134275231 /nfs/dbraw/zinc/27/52/31/1134275231.db2.gz VHQYBWDJSVGCTO-QGZVFWFLSA-N 1 2 341.455 3.878 20 0 EHADLO Cc1cc(C(F)(F)F)c(NCCn2c[nH+]cc2-c2ccccc2)nn1 ZINC001187191090 1134308406 /nfs/dbraw/zinc/30/84/06/1134308406.db2.gz ZQCFIPXRCOPOIG-UHFFFAOYSA-N 1 2 347.344 3.779 20 0 EHADLO CCN(CCn1cc[nH+]c1)c1cc2nc(Cl)cnc2cc1Cl ZINC001157460584 1134312721 /nfs/dbraw/zinc/31/27/21/1134312721.db2.gz WSRMKMGZYWBDHE-UHFFFAOYSA-N 1 2 336.226 3.660 20 0 EHADLO C[N@@H+]1[C@@H](C(=O)Nc2ccsc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187624062 1134357275 /nfs/dbraw/zinc/35/72/75/1134357275.db2.gz OZFYZZIFHYZFIV-UWWQBHOKSA-N 1 2 328.437 3.531 20 0 EHADLO C[N@H+]1[C@@H](C(=O)Nc2ccsc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187624062 1134357283 /nfs/dbraw/zinc/35/72/83/1134357283.db2.gz OZFYZZIFHYZFIV-UWWQBHOKSA-N 1 2 328.437 3.531 20 0 EHADLO Cc1ccccc1-c1nsc(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC001187625092 1134358702 /nfs/dbraw/zinc/35/87/02/1134358702.db2.gz PKNCDJSOWLAEIL-UHFFFAOYSA-N 1 2 325.441 3.587 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000753916404 1134375664 /nfs/dbraw/zinc/37/56/64/1134375664.db2.gz VPSUEBWFTMVURV-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000753916404 1134375672 /nfs/dbraw/zinc/37/56/72/1134375672.db2.gz VPSUEBWFTMVURV-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1c(Cl)cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001187907725 1134395560 /nfs/dbraw/zinc/39/55/60/1134395560.db2.gz PLIBWLCSHCAARW-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO CSc1ccc(NC(=O)NCc2c[nH+]c3c(C)cccn23)cc1 ZINC001188119569 1134430141 /nfs/dbraw/zinc/43/01/41/1134430141.db2.gz LXZLTWGUKDXXGJ-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO O=C1O[C@H](CSc2[nH+]cc3ccccn32)CN1C1CCCCC1 ZINC001188153991 1134434453 /nfs/dbraw/zinc/43/44/53/1134434453.db2.gz BOLLUVCSWVBKGC-HNNXBMFYSA-N 1 2 331.441 3.580 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000790564226 1134435492 /nfs/dbraw/zinc/43/54/92/1134435492.db2.gz BSQYCYFMVRIQGP-KRWDZBQOSA-N 1 2 342.464 3.900 20 0 EHADLO O=C(OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1F)N1CCCC1 ZINC001170142093 1134449114 /nfs/dbraw/zinc/44/91/14/1134449114.db2.gz ZYBOWEVQFFFJDF-AWEZNQCLSA-N 1 2 338.398 3.552 20 0 EHADLO O=C(OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1F)N1CCCC1 ZINC001170142093 1134449118 /nfs/dbraw/zinc/44/91/18/1134449118.db2.gz ZYBOWEVQFFFJDF-AWEZNQCLSA-N 1 2 338.398 3.552 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)c1nnnn1C1CC1 ZINC000790750267 1134462166 /nfs/dbraw/zinc/46/21/66/1134462166.db2.gz OTAQGXZTIWCMAD-DTWKUNHWSA-N 1 2 326.231 3.727 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000790750266 1134462218 /nfs/dbraw/zinc/46/22/18/1134462218.db2.gz OTAQGXZTIWCMAD-BDAKNGLRSA-N 1 2 326.231 3.727 20 0 EHADLO COc1ccc(NC(=O)Nc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC001188498723 1134473338 /nfs/dbraw/zinc/47/33/38/1134473338.db2.gz AUYYHTYFGSWSLG-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO CC(C)c1cnc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000790979754 1134494848 /nfs/dbraw/zinc/49/48/48/1134494848.db2.gz NMYWHMOCFFXPAM-UHFFFAOYSA-N 1 2 341.436 3.868 20 0 EHADLO Cc1nc(C)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791293107 1134526214 /nfs/dbraw/zinc/52/62/14/1134526214.db2.gz UEYJUSGQLKRSIX-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2c(c1)COC2 ZINC000791356899 1134539702 /nfs/dbraw/zinc/53/97/02/1134539702.db2.gz OZPCILKRIKVYQB-UHFFFAOYSA-N 1 2 334.375 3.568 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2nsnc21 ZINC001190274796 1134675965 /nfs/dbraw/zinc/67/59/65/1134675965.db2.gz WFKFVHRDZMCLNP-UHFFFAOYSA-N 1 2 336.380 3.521 20 0 EHADLO COc1ccccc1Cc1cn(Cc2nc(-c3ccccc3)no2)c[nH+]1 ZINC001190283755 1134680047 /nfs/dbraw/zinc/68/00/47/1134680047.db2.gz QKJOGFGQTBFBAO-UHFFFAOYSA-N 1 2 346.390 3.581 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000792481375 1134691112 /nfs/dbraw/zinc/69/11/12/1134691112.db2.gz IVLJCPASLBHOTA-XJKSGUPXSA-N 1 2 346.479 3.595 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000792591228 1134729558 /nfs/dbraw/zinc/72/95/58/1134729558.db2.gz CXBAVVZOMXAOLQ-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925567 1134765454 /nfs/dbraw/zinc/76/54/54/1134765454.db2.gz SOWJWMABAOXCIE-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925567 1134765460 /nfs/dbraw/zinc/76/54/60/1134765460.db2.gz SOWJWMABAOXCIE-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC001191338614 1134845083 /nfs/dbraw/zinc/84/50/83/1134845083.db2.gz ANLKYDFQIMGASB-SFHVURJKSA-N 1 2 347.361 3.890 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC001191338614 1134845086 /nfs/dbraw/zinc/84/50/86/1134845086.db2.gz ANLKYDFQIMGASB-SFHVURJKSA-N 1 2 347.361 3.890 20 0 EHADLO Cc1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)c(C)c[nH+]1 ZINC000747108375 1134874375 /nfs/dbraw/zinc/87/43/75/1134874375.db2.gz RNCHQACTWZOGPM-BQYQJAHWSA-N 1 2 336.313 3.671 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](C(C)C)C1 ZINC001191541497 1134883038 /nfs/dbraw/zinc/88/30/38/1134883038.db2.gz TXOWGEFHYJPFNF-SWLSCSKDSA-N 1 2 340.261 3.641 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C(C)C)C1 ZINC001191541497 1134883047 /nfs/dbraw/zinc/88/30/47/1134883047.db2.gz TXOWGEFHYJPFNF-SWLSCSKDSA-N 1 2 340.261 3.641 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000793250624 1134889000 /nfs/dbraw/zinc/88/90/00/1134889000.db2.gz AOTARFAOZQOYAJ-HUUCEWRRSA-N 1 2 339.222 3.616 20 0 EHADLO COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc[nH+]c(C2CC2)c1 ZINC001191671108 1134897866 /nfs/dbraw/zinc/89/78/66/1134897866.db2.gz MSSQHLAVBZEKLA-UHFFFAOYSA-N 1 2 346.452 3.892 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000747113690 1134907876 /nfs/dbraw/zinc/90/78/76/1134907876.db2.gz ZPNPMNBWXYEJHX-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+](CCO)Cc1cccnc1Cl ZINC000793365803 1134911759 /nfs/dbraw/zinc/91/17/59/1134911759.db2.gz KMFHLRWCBNBDKE-UHFFFAOYSA-N 1 2 330.815 3.784 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+](CCO)Cc1cccnc1Cl ZINC000793365803 1134911764 /nfs/dbraw/zinc/91/17/64/1134911764.db2.gz KMFHLRWCBNBDKE-UHFFFAOYSA-N 1 2 330.815 3.784 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1Cl ZINC001191785893 1134921828 /nfs/dbraw/zinc/92/18/28/1134921828.db2.gz VTCRISKMGKCYJW-OAHLLOKOSA-N 1 2 344.846 3.834 20 0 EHADLO COc1ccc(-c2cc(C(=O)Nc3cccc4[nH+]ccn43)ccn2)cc1 ZINC001192121763 1134968743 /nfs/dbraw/zinc/96/87/43/1134968743.db2.gz MEIQCLIWUFCERX-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H](F)CC1CCCCC1 ZINC000793771967 1134992860 /nfs/dbraw/zinc/99/28/60/1134992860.db2.gz XCEILSZNJNOLEA-KRWDZBQOSA-N 1 2 329.419 3.797 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001192383076 1135010093 /nfs/dbraw/zinc/01/00/93/1135010093.db2.gz AHMQKBLSRPCXGX-INIZCTEOSA-N 1 2 329.375 3.604 20 0 EHADLO CC(C)([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1cccc(F)c1 ZINC001192690724 1135045562 /nfs/dbraw/zinc/04/55/62/1135045562.db2.gz XUJDDQRCZIFUDQ-UHFFFAOYSA-N 1 2 327.359 3.606 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000775545071 1135048363 /nfs/dbraw/zinc/04/83/63/1135048363.db2.gz AJJFSFHPURQBJH-ZYHUDNBSSA-N 1 2 341.381 3.749 20 0 EHADLO CC(C)(C)Oc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001193011065 1135087996 /nfs/dbraw/zinc/08/79/96/1135087996.db2.gz GGGIZTCWCJICFO-UHFFFAOYSA-N 1 2 339.483 3.577 20 0 EHADLO CCOCCN(C(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC001129710355 1135141407 /nfs/dbraw/zinc/14/14/07/1135141407.db2.gz LDJDOKJKNXGYMQ-UHFFFAOYSA-N 1 2 343.814 3.671 20 0 EHADLO OC1(c2ccc(F)cc2)CN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804622007 1135143700 /nfs/dbraw/zinc/14/37/00/1135143700.db2.gz NYWTTYAKKBHUNA-UHFFFAOYSA-N 1 2 328.774 3.735 20 0 EHADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001193517115 1135150305 /nfs/dbraw/zinc/15/03/05/1135150305.db2.gz NEADJIRETFMBSF-OAHLLOKOSA-N 1 2 346.418 3.789 20 0 EHADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001193517115 1135150308 /nfs/dbraw/zinc/15/03/08/1135150308.db2.gz NEADJIRETFMBSF-OAHLLOKOSA-N 1 2 346.418 3.789 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CCC1=O ZINC001193526080 1135152315 /nfs/dbraw/zinc/15/23/15/1135152315.db2.gz HVSMRPKOYMFNDR-HNNXBMFYSA-N 1 2 327.399 3.816 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CCC1=O ZINC001193526080 1135152320 /nfs/dbraw/zinc/15/23/20/1135152320.db2.gz HVSMRPKOYMFNDR-HNNXBMFYSA-N 1 2 327.399 3.816 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC=C(c2ccccc2)C1 ZINC000804716937 1135178010 /nfs/dbraw/zinc/17/80/10/1135178010.db2.gz YZXGTRDTBGNOLL-UHFFFAOYSA-N 1 2 333.439 3.875 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)cs1 ZINC001193798690 1135186593 /nfs/dbraw/zinc/18/65/93/1135186593.db2.gz VSCFSEVKMIASJD-SFHVURJKSA-N 1 2 333.428 3.914 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)cs1 ZINC001193798690 1135186595 /nfs/dbraw/zinc/18/65/95/1135186595.db2.gz VSCFSEVKMIASJD-SFHVURJKSA-N 1 2 333.428 3.914 20 0 EHADLO CCCC[C@H](CC)COC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001193973362 1135208554 /nfs/dbraw/zinc/20/85/54/1135208554.db2.gz RWRJQSSLVFMDNM-INIZCTEOSA-N 1 2 333.476 3.993 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)sn1 ZINC001194052073 1135222524 /nfs/dbraw/zinc/22/25/24/1135222524.db2.gz NNHJJFNFQBXKJH-SFHVURJKSA-N 1 2 325.437 3.734 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001194057024 1135223467 /nfs/dbraw/zinc/22/34/67/1135223467.db2.gz SUTIOJBPQXXRGR-AWEZNQCLSA-N 1 2 344.789 3.644 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(Cl)cc1)Oc1ccccc1 ZINC001194276350 1135247584 /nfs/dbraw/zinc/24/75/84/1135247584.db2.gz YPVFMWWWVFNETA-UHFFFAOYSA-N 1 2 341.798 3.873 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OCC(F)(F)F)CC1 ZINC001194390206 1135263219 /nfs/dbraw/zinc/26/32/19/1135263219.db2.gz HKYBHTBEIRKPPA-CQSZACIVSA-N 1 2 348.340 3.593 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001194600570 1135291573 /nfs/dbraw/zinc/29/15/73/1135291573.db2.gz WFCWPMKXOGTAFU-SUMWQHHRSA-N 1 2 326.843 3.683 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC001194600570 1135291576 /nfs/dbraw/zinc/29/15/76/1135291576.db2.gz WFCWPMKXOGTAFU-SUMWQHHRSA-N 1 2 326.843 3.683 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000805684924 1135311624 /nfs/dbraw/zinc/31/16/24/1135311624.db2.gz XQNQPCINFZOVGF-OAHLLOKOSA-N 1 2 349.434 3.618 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccccc1S(=O)(=O)N(C)C ZINC001194884944 1135335219 /nfs/dbraw/zinc/33/52/19/1135335219.db2.gz SFIFLALBVDZJSS-UHFFFAOYSA-N 1 2 333.457 3.507 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1OC)C2 ZINC001194897946 1135336990 /nfs/dbraw/zinc/33/69/90/1135336990.db2.gz BWEBJYFPBFACET-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1OC)C2 ZINC001194897946 1135336997 /nfs/dbraw/zinc/33/69/97/1135336997.db2.gz BWEBJYFPBFACET-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)C(C)C ZINC000775626983 1135350236 /nfs/dbraw/zinc/35/02/36/1135350236.db2.gz OVRSXTOYRGMIHL-IBGZPJMESA-N 1 2 335.455 3.517 20 0 EHADLO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000775668851 1135457326 /nfs/dbraw/zinc/45/73/26/1135457326.db2.gz ZDXSHGVBUMMEPI-RNCFNFMXSA-N 1 2 341.814 3.544 20 0 EHADLO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cccc(Cl)c1O ZINC000775670383 1135458101 /nfs/dbraw/zinc/45/81/01/1135458101.db2.gz XWTLCFSHZGPAHF-UHFFFAOYSA-N 1 2 338.879 3.630 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1c(Cl)cc(Cl)nc1Cl ZINC001195908493 1135489155 /nfs/dbraw/zinc/48/91/55/1135489155.db2.gz AVBMGWJUPKGYFG-UHFFFAOYSA-N 1 2 341.585 3.942 20 0 EHADLO CCc1nocc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001195945986 1135497979 /nfs/dbraw/zinc/49/79/79/1135497979.db2.gz DSPRLOBDRQVFBH-UHFFFAOYSA-N 1 2 340.254 3.866 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2Cc3ccccc3[C@H]2C)c(C)c1 ZINC001196402388 1135556290 /nfs/dbraw/zinc/55/62/90/1135556290.db2.gz IOMAZJNFHANEDH-GOSISDBHSA-N 1 2 336.479 3.847 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@H+]2Cc3ccccc3[C@H]2C)c(C)c1 ZINC001196402388 1135556294 /nfs/dbraw/zinc/55/62/94/1135556294.db2.gz IOMAZJNFHANEDH-GOSISDBHSA-N 1 2 336.479 3.847 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867185790 1135587714 /nfs/dbraw/zinc/58/77/14/1135587714.db2.gz FRAOIOOJAQSGRM-OLMDTSMNSA-N 1 2 327.428 3.765 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867185790 1135587718 /nfs/dbraw/zinc/58/77/18/1135587718.db2.gz FRAOIOOJAQSGRM-OLMDTSMNSA-N 1 2 327.428 3.765 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730704 1135591506 /nfs/dbraw/zinc/59/15/06/1135591506.db2.gz GKBAIRYZNMEQBZ-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730704 1135591508 /nfs/dbraw/zinc/59/15/08/1135591508.db2.gz GKBAIRYZNMEQBZ-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO CN1CCCC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2F)C1=O ZINC001196727933 1135600842 /nfs/dbraw/zinc/60/08/42/1135600842.db2.gz OXOURCRWGZAVHL-ZDUSSCGKSA-N 1 2 333.234 3.575 20 0 EHADLO CN1CCCC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2F)C1=O ZINC001196727933 1135600844 /nfs/dbraw/zinc/60/08/44/1135600844.db2.gz OXOURCRWGZAVHL-ZDUSSCGKSA-N 1 2 333.234 3.575 20 0 EHADLO CC(C)c1cn(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(=S)n1C ZINC000747455125 1135611527 /nfs/dbraw/zinc/61/15/27/1135611527.db2.gz XIOJFGMUJAXQBM-UHFFFAOYSA-N 1 2 347.484 3.540 20 0 EHADLO CC(C)c1cn(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(=S)n1C ZINC000747455125 1135611531 /nfs/dbraw/zinc/61/15/31/1135611531.db2.gz XIOJFGMUJAXQBM-UHFFFAOYSA-N 1 2 347.484 3.540 20 0 EHADLO CC[N@H+](CCC(=O)OC)Cn1c(-c2ccccc2)csc1=S ZINC000747457700 1135616040 /nfs/dbraw/zinc/61/60/40/1135616040.db2.gz UJDHLFFPZDMTST-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO CC[N@@H+](CCC(=O)OC)Cn1c(-c2ccccc2)csc1=S ZINC000747457700 1135616043 /nfs/dbraw/zinc/61/60/43/1135616043.db2.gz UJDHLFFPZDMTST-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(C)cc1F)CCC2 ZINC000348223020 1135623791 /nfs/dbraw/zinc/62/37/91/1135623791.db2.gz XQYMZPUWBYWSSF-MRXNPFEDSA-N 1 2 347.459 3.847 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(C)cc1F)CCC2 ZINC000348223020 1135623792 /nfs/dbraw/zinc/62/37/92/1135623792.db2.gz XQYMZPUWBYWSSF-MRXNPFEDSA-N 1 2 347.459 3.847 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CCO1 ZINC001197013403 1135640330 /nfs/dbraw/zinc/64/03/30/1135640330.db2.gz UKEITIVQXIEGTA-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)CCO1 ZINC001197013403 1135640332 /nfs/dbraw/zinc/64/03/32/1135640332.db2.gz UKEITIVQXIEGTA-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)s2)C1 ZINC001197326390 1135679767 /nfs/dbraw/zinc/67/97/67/1135679767.db2.gz QSVVLVMFOIKFCT-SNVBAGLBSA-N 1 2 344.196 3.664 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001197326390 1135679768 /nfs/dbraw/zinc/67/97/68/1135679768.db2.gz QSVVLVMFOIKFCT-SNVBAGLBSA-N 1 2 344.196 3.664 20 0 EHADLO CCCCCC[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001197531357 1135699668 /nfs/dbraw/zinc/69/96/68/1135699668.db2.gz DEIYMKFLGOGVBQ-OAHLLOKOSA-N 1 2 347.377 3.839 20 0 EHADLO Nc1[nH+]cccc1CNC(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001197661762 1135717653 /nfs/dbraw/zinc/71/76/53/1135717653.db2.gz RQXUIILBILWKIF-UHFFFAOYSA-N 1 2 336.370 3.792 20 0 EHADLO S=C(Nc1cc[nH+]c2c1CCC2)Nc1ccccc1Br ZINC001197760116 1135729412 /nfs/dbraw/zinc/72/94/12/1135729412.db2.gz XMTYCPJQJGGHOJ-UHFFFAOYSA-N 1 2 348.269 3.564 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC001198676298 1135846244 /nfs/dbraw/zinc/84/62/44/1135846244.db2.gz MJQCEOUYVBNIBB-DOXZYTNZSA-N 1 2 331.456 3.508 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC001198676298 1135846246 /nfs/dbraw/zinc/84/62/46/1135846246.db2.gz MJQCEOUYVBNIBB-DOXZYTNZSA-N 1 2 331.456 3.508 20 0 EHADLO COCC[C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)c2ccccc21 ZINC001198685107 1135847261 /nfs/dbraw/zinc/84/72/61/1135847261.db2.gz HTUAECHAXLMVHS-INIZCTEOSA-N 1 2 326.440 3.929 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000809639613 1135863977 /nfs/dbraw/zinc/86/39/77/1135863977.db2.gz OLZXUAIQNPLHCI-AWEZNQCLSA-N 1 2 336.480 3.582 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@H+]1CCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000809639613 1135863980 /nfs/dbraw/zinc/86/39/80/1135863980.db2.gz OLZXUAIQNPLHCI-AWEZNQCLSA-N 1 2 336.480 3.582 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1F ZINC001137957436 1135865983 /nfs/dbraw/zinc/86/59/83/1135865983.db2.gz BOWHEUMNLPLNPC-WCQYABFASA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1F ZINC001137957436 1135865986 /nfs/dbraw/zinc/86/59/86/1135865986.db2.gz BOWHEUMNLPLNPC-WCQYABFASA-N 1 2 343.723 3.706 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCc3c2cccc3C)c1C ZINC000104793921 1135870629 /nfs/dbraw/zinc/87/06/29/1135870629.db2.gz XGFDDQDCRQKCTN-QGZVFWFLSA-N 1 2 339.439 3.502 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccc(=S)[nH]n1)c1ccc(Cl)cc1Cl ZINC001170585862 1135875083 /nfs/dbraw/zinc/87/50/83/1135875083.db2.gz OZFYFQZFYYLNGK-LBPRGKRZSA-N 1 2 343.283 3.787 20 0 EHADLO CC[N@H+](Cc1cc2c(C)nn(C)c2nc1Cl)[C@@H](C)c1cccnc1 ZINC000809766043 1135888947 /nfs/dbraw/zinc/88/89/47/1135888947.db2.gz SVPHOIVQIGJGGW-ZDUSSCGKSA-N 1 2 343.862 3.908 20 0 EHADLO CC[N@@H+](Cc1cc2c(C)nn(C)c2nc1Cl)[C@@H](C)c1cccnc1 ZINC000809766043 1135888948 /nfs/dbraw/zinc/88/89/48/1135888948.db2.gz SVPHOIVQIGJGGW-ZDUSSCGKSA-N 1 2 343.862 3.908 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000809973228 1135907251 /nfs/dbraw/zinc/90/72/51/1135907251.db2.gz LHKIZUDQLYCHAU-UHFFFAOYSA-N 1 2 337.254 3.814 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000809973228 1135907254 /nfs/dbraw/zinc/90/72/54/1135907254.db2.gz LHKIZUDQLYCHAU-UHFFFAOYSA-N 1 2 337.254 3.814 20 0 EHADLO Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cccc1N(C)C ZINC000775985963 1135909944 /nfs/dbraw/zinc/90/99/44/1135909944.db2.gz FCNQCRMOISNVNF-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3F)ccc2[nH+]1 ZINC001199767806 1135927067 /nfs/dbraw/zinc/92/70/67/1135927067.db2.gz MKKNWJVQBXSOIF-GOEBONIOSA-N 1 2 342.349 3.599 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001137963320 1135936941 /nfs/dbraw/zinc/93/69/41/1135936941.db2.gz BZKJIABBOWFKJW-TZMCWYRMSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001137963320 1135936944 /nfs/dbraw/zinc/93/69/44/1135936944.db2.gz BZKJIABBOWFKJW-TZMCWYRMSA-N 1 2 340.826 3.530 20 0 EHADLO O=c1[nH]c2ccc(C[NH2+][C@@H](c3nccs3)c3ccccc3)cc2[nH]1 ZINC001199925992 1135938730 /nfs/dbraw/zinc/93/87/30/1135938730.db2.gz RWVYUVAGEYEIKI-MRXNPFEDSA-N 1 2 336.420 3.604 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccco1 ZINC001199972217 1135942164 /nfs/dbraw/zinc/94/21/64/1135942164.db2.gz OBXDWVQPVDZKFI-GOSISDBHSA-N 1 2 340.427 3.568 20 0 EHADLO CCCCCC[C@@H](CC)[N@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170601105 1135946191 /nfs/dbraw/zinc/94/61/91/1135946191.db2.gz WVJDGAJCIOPNBZ-MRXNPFEDSA-N 1 2 346.519 3.721 20 0 EHADLO CCCCCC[C@@H](CC)[N@@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170601105 1135946195 /nfs/dbraw/zinc/94/61/95/1135946195.db2.gz WVJDGAJCIOPNBZ-MRXNPFEDSA-N 1 2 346.519 3.721 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ccccc2Cl)c1C ZINC000810272440 1135950738 /nfs/dbraw/zinc/95/07/38/1135950738.db2.gz KZJDWFMENLBGIL-UHFFFAOYSA-N 1 2 346.858 4.000 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000776085235 1135951157 /nfs/dbraw/zinc/95/11/57/1135951157.db2.gz IIJLEBOVPRTIJN-WFASDCNBSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@H]2CCC[C@H](c3ccccc3)O2)C2CC2)no1 ZINC001170603506 1135955497 /nfs/dbraw/zinc/95/54/97/1135955497.db2.gz AOCYDFHFNYKTBB-QWFCFKBJSA-N 1 2 341.455 3.903 20 0 EHADLO CCc1ccc(CCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810586036 1135978435 /nfs/dbraw/zinc/97/84/35/1135978435.db2.gz SBIUBXWKMJZYIF-UHFFFAOYSA-N 1 2 348.446 3.822 20 0 EHADLO Cc1ccccc1CCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810625100 1135982812 /nfs/dbraw/zinc/98/28/12/1135982812.db2.gz WGNDXHNYZWDGDY-UHFFFAOYSA-N 1 2 348.446 3.958 20 0 EHADLO CCOc1cc2c(cc1NCc1c[nH+]c3ccc(C)cn13)O[C@H](C)C2 ZINC001201077422 1135985279 /nfs/dbraw/zinc/98/52/79/1135985279.db2.gz GBYBTEKGLGJDSU-CQSZACIVSA-N 1 2 337.423 3.977 20 0 EHADLO C[C@@H]1CCC[C@H](COC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810655651 1135986463 /nfs/dbraw/zinc/98/64/63/1135986463.db2.gz VPZQSRBLJPWMAQ-AEFFLSMTSA-N 1 2 326.440 3.843 20 0 EHADLO COc1nc2ccccc2cc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001201132901 1135987284 /nfs/dbraw/zinc/98/72/84/1135987284.db2.gz BPHZFOKZCJISSO-UHFFFAOYSA-N 1 2 336.439 3.845 20 0 EHADLO CC1(C)CCC(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000810694326 1135997764 /nfs/dbraw/zinc/99/77/64/1135997764.db2.gz MUWFUYCJPPEEJD-UHFFFAOYSA-N 1 2 326.440 3.986 20 0 EHADLO CCc1ccc(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000747660222 1136027505 /nfs/dbraw/zinc/02/75/05/1136027505.db2.gz USDRPAGHKXXIAB-UHFFFAOYSA-N 1 2 338.480 3.734 20 0 EHADLO Cc1cncc(NCc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001201579604 1136042744 /nfs/dbraw/zinc/04/27/44/1136042744.db2.gz CBZLIICPSYRBAB-UHFFFAOYSA-N 1 2 342.830 3.931 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1OCC(C)C ZINC001201919337 1136075130 /nfs/dbraw/zinc/07/51/30/1136075130.db2.gz DJIZNNLPZSBVHG-GFCCVEGCSA-N 1 2 335.473 3.741 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3c(F)cccc3F)c[nH+]c12 ZINC001202047530 1136086248 /nfs/dbraw/zinc/08/62/48/1136086248.db2.gz GCMMDAGQYKPKNE-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811488183 1136092969 /nfs/dbraw/zinc/09/29/69/1136092969.db2.gz NMHHPPHWTJCCDY-GFCCVEGCSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811488183 1136092973 /nfs/dbraw/zinc/09/29/73/1136092973.db2.gz NMHHPPHWTJCCDY-GFCCVEGCSA-N 1 2 345.270 3.800 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202207200 1136110602 /nfs/dbraw/zinc/11/06/02/1136110602.db2.gz LAYWDSJQXJVWSJ-OAHLLOKOSA-N 1 2 337.414 3.641 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ncccc1F ZINC001202258124 1136115537 /nfs/dbraw/zinc/11/55/37/1136115537.db2.gz CHKQWFGXXDDDDA-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO O=C1[C@H](Cc2ccccc2)CCN1C[N@H+](Cc1cccs1)C1CC1 ZINC000811731170 1136131706 /nfs/dbraw/zinc/13/17/06/1136131706.db2.gz DCMJWZIHSPLJGG-KRWDZBQOSA-N 1 2 340.492 3.761 20 0 EHADLO O=C1[C@H](Cc2ccccc2)CCN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000811731170 1136131707 /nfs/dbraw/zinc/13/17/07/1136131707.db2.gz DCMJWZIHSPLJGG-KRWDZBQOSA-N 1 2 340.492 3.761 20 0 EHADLO Cc1ccc(NC(=O)NC2CCC(C3CCC3)CC2)c(N(C)C)[nH+]1 ZINC001202394632 1136141719 /nfs/dbraw/zinc/14/17/19/1136141719.db2.gz DQYREZGXKKPXAS-UHFFFAOYSA-N 1 2 330.476 3.936 20 0 EHADLO Cc1ccc(NC(=O)N2CCN(c3[nH+]ccc4ccccc43)CC2)cc1 ZINC001202427759 1136147087 /nfs/dbraw/zinc/14/70/87/1136147087.db2.gz IGCQWRKIZIJCOY-UHFFFAOYSA-N 1 2 346.434 3.897 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(N3CCCCC3=O)cc2)[nH+]1 ZINC000811867503 1136148744 /nfs/dbraw/zinc/14/87/44/1136148744.db2.gz OWQLLTCKWSDTDG-CYBMUJFWSA-N 1 2 349.438 3.956 20 0 EHADLO CC[C@@](C)(NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000107841927 1136179309 /nfs/dbraw/zinc/17/93/09/1136179309.db2.gz JUDWPVIRPQHXOG-HXUWFJFHSA-N 1 2 341.455 3.832 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000747781381 1136191606 /nfs/dbraw/zinc/19/16/06/1136191606.db2.gz KJEMIXLRURWDIO-UHFFFAOYSA-N 1 2 341.436 3.508 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@@H](C)C(C)(C)C ZINC001133246903 1136194916 /nfs/dbraw/zinc/19/49/16/1136194916.db2.gz BTWAAUVEGJYBOJ-LLVKDONJSA-N 1 2 337.414 3.764 20 0 EHADLO CC[N@H+](C[C@H](C)OC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000812303025 1136196400 /nfs/dbraw/zinc/19/64/00/1136196400.db2.gz JYEBRZURKYRTGR-NSHDSACASA-N 1 2 329.416 3.882 20 0 EHADLO CC[N@@H+](C[C@H](C)OC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000812303025 1136196404 /nfs/dbraw/zinc/19/64/04/1136196404.db2.gz JYEBRZURKYRTGR-NSHDSACASA-N 1 2 329.416 3.882 20 0 EHADLO CC[N@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)[C@H]1CCOC1 ZINC000812780504 1136246813 /nfs/dbraw/zinc/24/68/13/1136246813.db2.gz GRMTUZPATFPZNE-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO CC[N@@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)[C@H]1CCOC1 ZINC000812780504 1136246817 /nfs/dbraw/zinc/24/68/17/1136246817.db2.gz GRMTUZPATFPZNE-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCO2 ZINC000850454017 1136262102 /nfs/dbraw/zinc/26/21/02/1136262102.db2.gz FCHSIOILMRFZMR-CQSZACIVSA-N 1 2 334.423 3.648 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000850457895 1136263248 /nfs/dbraw/zinc/26/32/48/1136263248.db2.gz PQYDMRFKZPSZCY-CVEARBPZSA-N 1 2 348.487 3.692 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000812976494 1136275795 /nfs/dbraw/zinc/27/57/95/1136275795.db2.gz UMRBHDNEZQXRTD-UHFFFAOYSA-N 1 2 330.775 3.583 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1nc(Br)cs1 ZINC000850542292 1136282507 /nfs/dbraw/zinc/28/25/07/1136282507.db2.gz LDOKTFSLYVWQPH-UFBFGSQYSA-N 1 2 339.258 3.949 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC001133682024 1136311699 /nfs/dbraw/zinc/31/16/99/1136311699.db2.gz GURSSQKVHZUJNS-UHFFFAOYSA-N 1 2 326.343 3.985 20 0 EHADLO C[C@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000851399704 1136376592 /nfs/dbraw/zinc/37/65/92/1136376592.db2.gz ZPRVMCMZRILREZ-AWEZNQCLSA-N 1 2 330.453 3.706 20 0 EHADLO Cc1cccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1F ZINC000851399585 1136376864 /nfs/dbraw/zinc/37/68/64/1136376864.db2.gz BCSPUEBXXYAJAF-UHFFFAOYSA-N 1 2 328.387 3.603 20 0 EHADLO O=C(CCCc1ccsc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400053 1136377062 /nfs/dbraw/zinc/37/70/62/1136377062.db2.gz PALDNVNEDMERIQ-UHFFFAOYSA-N 1 2 344.480 3.926 20 0 EHADLO O=C(C[C@@H]1CCC(F)(F)C1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400946 1136377090 /nfs/dbraw/zinc/37/70/90/1136377090.db2.gz XXPNAMNIBIWDOU-HNNXBMFYSA-N 1 2 338.398 3.667 20 0 EHADLO O=C(OCCC[C@H]1CCCCC1=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813962529 1136379320 /nfs/dbraw/zinc/37/93/20/1136379320.db2.gz HDGYNTPFSVIYBE-MOPGFXCFSA-N 1 2 343.467 3.734 20 0 EHADLO O=C(OCCC[C@H]1CCCCC1=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813962529 1136379324 /nfs/dbraw/zinc/37/93/24/1136379324.db2.gz HDGYNTPFSVIYBE-MOPGFXCFSA-N 1 2 343.467 3.734 20 0 EHADLO O=C(OC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814049634 1136394216 /nfs/dbraw/zinc/39/42/16/1136394216.db2.gz DIGNTIYYWYBOCC-WOJBJXKFSA-N 1 2 348.402 3.949 20 0 EHADLO Cc1ccccc1C(N)=[NH+]O[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000851789684 1136407702 /nfs/dbraw/zinc/40/77/02/1136407702.db2.gz CRUHZJBZSRRMTN-CYBMUJFWSA-N 1 2 345.830 3.831 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180641 1136412071 /nfs/dbraw/zinc/41/20/71/1136412071.db2.gz QDSWRBUPTIUXLV-FWLQQBITSA-N 1 2 339.382 3.717 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180641 1136412073 /nfs/dbraw/zinc/41/20/73/1136412073.db2.gz QDSWRBUPTIUXLV-FWLQQBITSA-N 1 2 339.382 3.717 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000851971183 1136424401 /nfs/dbraw/zinc/42/44/01/1136424401.db2.gz PEDADPJPMFKLRH-AWEZNQCLSA-N 1 2 346.500 3.579 20 0 EHADLO COc1cccc(SCC[N@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000851971183 1136424403 /nfs/dbraw/zinc/42/44/03/1136424403.db2.gz PEDADPJPMFKLRH-AWEZNQCLSA-N 1 2 346.500 3.579 20 0 EHADLO OC[C@@H]([NH2+]CC=C(Cl)Cl)c1ccccc1OC(F)(F)F ZINC000852001699 1136426621 /nfs/dbraw/zinc/42/66/21/1136426621.db2.gz NMQSEUDACWEOLP-SECBINFHSA-N 1 2 330.133 3.527 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H](c2ccccc2)C1 ZINC000814261103 1136428892 /nfs/dbraw/zinc/42/88/92/1136428892.db2.gz HSCGUPIHNHNWIU-MRXNPFEDSA-N 1 2 335.455 3.965 20 0 EHADLO CSc1ccc2cc(C[N@@H+]3CCn4cncc4C3)c(Cl)nc2c1 ZINC000852060779 1136430196 /nfs/dbraw/zinc/43/01/96/1136430196.db2.gz JQOYDKYCQQAUAK-UHFFFAOYSA-N 1 2 344.871 3.822 20 0 EHADLO CSc1ccc2cc(C[N@H+]3CCn4cncc4C3)c(Cl)nc2c1 ZINC000852060779 1136430200 /nfs/dbraw/zinc/43/02/00/1136430200.db2.gz JQOYDKYCQQAUAK-UHFFFAOYSA-N 1 2 344.871 3.822 20 0 EHADLO Brc1ccccc1C1([NH2+]Cc2cnon2)CCCCC1 ZINC000852138057 1136436358 /nfs/dbraw/zinc/43/63/58/1136436358.db2.gz FPGIJASZBSOLDL-UHFFFAOYSA-N 1 2 336.233 3.781 20 0 EHADLO O=C1CCC2=C(CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)N1 ZINC000852300587 1136446520 /nfs/dbraw/zinc/44/65/20/1136446520.db2.gz SNOCLBQRXLYFJS-UHFFFAOYSA-N 1 2 331.485 3.561 20 0 EHADLO O=C1CCC2=C(CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)N1 ZINC000852300587 1136446521 /nfs/dbraw/zinc/44/65/21/1136446521.db2.gz SNOCLBQRXLYFJS-UHFFFAOYSA-N 1 2 331.485 3.561 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322222 1136448580 /nfs/dbraw/zinc/44/85/80/1136448580.db2.gz DSECJMVRKJDATK-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322222 1136448581 /nfs/dbraw/zinc/44/85/81/1136448581.db2.gz DSECJMVRKJDATK-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173222118 1136450583 /nfs/dbraw/zinc/45/05/83/1136450583.db2.gz OIWNBVBWCICTBC-ZJUUUORDSA-N 1 2 337.411 3.507 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000338950905 1136475812 /nfs/dbraw/zinc/47/58/12/1136475812.db2.gz GLOAGJJMHYEZLH-LBPRGKRZSA-N 1 2 336.234 3.760 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000338950905 1136475813 /nfs/dbraw/zinc/47/58/13/1136475813.db2.gz GLOAGJJMHYEZLH-LBPRGKRZSA-N 1 2 336.234 3.760 20 0 EHADLO C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000852681146 1136477398 /nfs/dbraw/zinc/47/73/98/1136477398.db2.gz LVHOTISCHAFVTB-RDJZCZTQSA-N 1 2 332.492 3.526 20 0 EHADLO CCOC(C[N@@H+]1CC[C@H]1c1ccc(Br)cc1)OCC ZINC000852689351 1136477977 /nfs/dbraw/zinc/47/79/77/1136477977.db2.gz YHWMQMNEPFYAFX-AWEZNQCLSA-N 1 2 328.250 3.595 20 0 EHADLO CCOC(C[N@H+]1CC[C@H]1c1ccc(Br)cc1)OCC ZINC000852689351 1136477979 /nfs/dbraw/zinc/47/79/79/1136477979.db2.gz YHWMQMNEPFYAFX-AWEZNQCLSA-N 1 2 328.250 3.595 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138005801 1136499174 /nfs/dbraw/zinc/49/91/74/1136499174.db2.gz PFYAVGRFJFUUCA-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138005801 1136499178 /nfs/dbraw/zinc/49/91/78/1136499178.db2.gz PFYAVGRFJFUUCA-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000815056017 1136540846 /nfs/dbraw/zinc/54/08/46/1136540846.db2.gz YGHOJWMCTIVRPR-DQYPLSBCSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000815056017 1136540849 /nfs/dbraw/zinc/54/08/49/1136540849.db2.gz YGHOJWMCTIVRPR-DQYPLSBCSA-N 1 2 339.357 3.525 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[NH+]1CCC(C2CCC2)CC1 ZINC000853536525 1136542086 /nfs/dbraw/zinc/54/20/86/1136542086.db2.gz VCPWWJWRXUXGFK-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853553959 1136543996 /nfs/dbraw/zinc/54/39/96/1136543996.db2.gz IEIPQDYNUSSMFC-KRWDZBQOSA-N 1 2 325.456 3.565 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853553959 1136543997 /nfs/dbraw/zinc/54/39/97/1136543997.db2.gz IEIPQDYNUSSMFC-KRWDZBQOSA-N 1 2 325.456 3.565 20 0 EHADLO O[C@H](C[N@@H+]1CCSC[C@@H]1c1nccs1)c1cc2ccccc2o1 ZINC000815095305 1136555795 /nfs/dbraw/zinc/55/57/95/1136555795.db2.gz VANGMVUKDXAYFW-ZIAGYGMSSA-N 1 2 346.477 3.713 20 0 EHADLO O[C@H](C[N@H+]1CCSC[C@@H]1c1nccs1)c1cc2ccccc2o1 ZINC000815095305 1136555799 /nfs/dbraw/zinc/55/57/99/1136555799.db2.gz VANGMVUKDXAYFW-ZIAGYGMSSA-N 1 2 346.477 3.713 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000815105046 1136556989 /nfs/dbraw/zinc/55/69/89/1136556989.db2.gz BECYWNPWZPUXEI-SFHVURJKSA-N 1 2 327.428 3.556 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000815105046 1136556990 /nfs/dbraw/zinc/55/69/90/1136556990.db2.gz BECYWNPWZPUXEI-SFHVURJKSA-N 1 2 327.428 3.556 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@@H]1c1ccc(F)cc1 ZINC000853814120 1136566338 /nfs/dbraw/zinc/56/63/38/1136566338.db2.gz KQOOFZDIBXRWPS-OAHLLOKOSA-N 1 2 325.391 3.672 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000815209417 1136570973 /nfs/dbraw/zinc/57/09/73/1136570973.db2.gz VWINRLZZYZBZPC-AWEZNQCLSA-N 1 2 335.835 3.674 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000815209417 1136570977 /nfs/dbraw/zinc/57/09/77/1136570977.db2.gz VWINRLZZYZBZPC-AWEZNQCLSA-N 1 2 335.835 3.674 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(OC(C)=O)cc1)CC2 ZINC000815257057 1136573826 /nfs/dbraw/zinc/57/38/26/1136573826.db2.gz DZPMBDHPVTWGFX-UHFFFAOYSA-N 1 2 345.826 3.832 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(OC(C)=O)cc1)CC2 ZINC000815257057 1136573829 /nfs/dbraw/zinc/57/38/29/1136573829.db2.gz DZPMBDHPVTWGFX-UHFFFAOYSA-N 1 2 345.826 3.832 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000815238442 1136575473 /nfs/dbraw/zinc/57/54/73/1136575473.db2.gz ADELUPBJPOUMCY-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000815238442 1136575475 /nfs/dbraw/zinc/57/54/75/1136575475.db2.gz ADELUPBJPOUMCY-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC2CC1(c1ccccc1)C2 ZINC000853992068 1136578752 /nfs/dbraw/zinc/57/87/52/1136578752.db2.gz KOSYTICWWNCTRM-UHFFFAOYSA-N 1 2 333.439 3.707 20 0 EHADLO COc1ccccc1C1(C(=O)OCCCn2cc[nH+]c2)CCCCC1 ZINC000815302753 1136579060 /nfs/dbraw/zinc/57/90/60/1136579060.db2.gz HFJWKXHSTZFONR-UHFFFAOYSA-N 1 2 342.439 3.727 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000854041077 1136583188 /nfs/dbraw/zinc/58/31/88/1136583188.db2.gz JXWYSYIKETUDAW-PMACEKPBSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000854041077 1136583191 /nfs/dbraw/zinc/58/31/91/1136583191.db2.gz JXWYSYIKETUDAW-PMACEKPBSA-N 1 2 349.478 3.656 20 0 EHADLO C[C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000854106593 1136588350 /nfs/dbraw/zinc/58/83/50/1136588350.db2.gz JXWGGMNXCGCZEG-DAYGRLMNSA-N 1 2 341.455 3.620 20 0 EHADLO C[C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000854106593 1136588352 /nfs/dbraw/zinc/58/83/52/1136588352.db2.gz JXWGGMNXCGCZEG-DAYGRLMNSA-N 1 2 341.455 3.620 20 0 EHADLO C[C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CC1 ZINC000854107216 1136588425 /nfs/dbraw/zinc/58/84/25/1136588425.db2.gz JXWGGMNXCGCZEG-VKJFTORMSA-N 1 2 341.455 3.620 20 0 EHADLO C[C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CC1 ZINC000854107216 1136588431 /nfs/dbraw/zinc/58/84/31/1136588431.db2.gz JXWGGMNXCGCZEG-VKJFTORMSA-N 1 2 341.455 3.620 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000854160277 1136593452 /nfs/dbraw/zinc/59/34/52/1136593452.db2.gz GNNSURUTHSBHFL-JCYILVPMSA-N 1 2 329.444 3.936 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@H]2CCC(C)(C)c3ccccc32)no1 ZINC000854161135 1136593597 /nfs/dbraw/zinc/59/35/97/1136593597.db2.gz MXQMUICODVDUQE-HOCLYGCPSA-N 1 2 329.444 3.698 20 0 EHADLO c1csc([C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)c2nnc[nH]2)c1 ZINC000815554263 1136609911 /nfs/dbraw/zinc/60/99/11/1136609911.db2.gz VZZXYQVCAVQFRX-JKJYUFNASA-N 1 2 328.485 3.762 20 0 EHADLO CCC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3[nH]cc[nH+]3)sc2C1 ZINC000854453269 1136617686 /nfs/dbraw/zinc/61/76/86/1136617686.db2.gz NLMOLVBGFWQUQL-NSHDSACASA-N 1 2 332.473 3.589 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c(OC)c1 ZINC000815650589 1136626385 /nfs/dbraw/zinc/62/63/85/1136626385.db2.gz VZROQBUPZMTOQI-JTQLQIEISA-N 1 2 325.330 3.972 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001135241131 1136642236 /nfs/dbraw/zinc/64/22/36/1136642236.db2.gz RVSZNWSLQCJZFB-UONOGXRCSA-N 1 2 347.409 3.565 20 0 EHADLO Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)C2)c(N(C)C)[nH+]1 ZINC000815859448 1136644987 /nfs/dbraw/zinc/64/49/87/1136644987.db2.gz BKKNPUPTTUMOSB-UHFFFAOYSA-N 1 2 327.403 3.727 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccccc1)c1ccccn1 ZINC000776763932 1136650974 /nfs/dbraw/zinc/65/09/74/1136650974.db2.gz RVTLYCHJCZXJBU-UHFFFAOYSA-N 1 2 328.375 3.576 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000776766804 1136658649 /nfs/dbraw/zinc/65/86/49/1136658649.db2.gz VJCOFAYPXJCSKX-CQSZACIVSA-N 1 2 347.484 3.606 20 0 EHADLO CCC1(CC)CC[NH+](Cn2sc3nc(C)cc(C)c3c2=O)CC1 ZINC000776771170 1136659169 /nfs/dbraw/zinc/65/91/69/1136659169.db2.gz FWCZDNORASSPJT-UHFFFAOYSA-N 1 2 333.501 3.935 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cn1c(=O)sc3c1CC[C@H](C)C3)CC2 ZINC000776776143 1136663703 /nfs/dbraw/zinc/66/37/03/1136663703.db2.gz WFPZSPFKKVFKGT-ZDUSSCGKSA-N 1 2 342.508 3.667 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cn1c(=O)sc3c1CC[C@H](C)C3)CC2 ZINC000776776143 1136663706 /nfs/dbraw/zinc/66/37/06/1136663706.db2.gz WFPZSPFKKVFKGT-ZDUSSCGKSA-N 1 2 342.508 3.667 20 0 EHADLO Cc1nsc(C)c1COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000816343538 1136702194 /nfs/dbraw/zinc/70/21/94/1136702194.db2.gz JNQDHBLKDVKPAK-GOSISDBHSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nsc(C)c1COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000816343538 1136702196 /nfs/dbraw/zinc/70/21/96/1136702196.db2.gz JNQDHBLKDVKPAK-GOSISDBHSA-N 1 2 344.480 3.858 20 0 EHADLO CCC1(CC)[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000776823321 1136708762 /nfs/dbraw/zinc/70/87/62/1136708762.db2.gz AVOKLCAHLIUTMQ-MOPGFXCFSA-N 1 2 332.488 3.653 20 0 EHADLO CCC1(CC)[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000776823321 1136708765 /nfs/dbraw/zinc/70/87/65/1136708765.db2.gz AVOKLCAHLIUTMQ-MOPGFXCFSA-N 1 2 332.488 3.653 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602995 1136725475 /nfs/dbraw/zinc/72/54/75/1136725475.db2.gz ORRZDFWSFOFMFR-UHFFFAOYSA-N 1 2 336.407 3.644 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc(Br)c1OC ZINC000816646863 1136744853 /nfs/dbraw/zinc/74/48/53/1136744853.db2.gz JVICWZCDGWELJX-MNOVXSKESA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc(Br)c1OC ZINC000816646863 1136744856 /nfs/dbraw/zinc/74/48/56/1136744856.db2.gz JVICWZCDGWELJX-MNOVXSKESA-N 1 2 328.250 3.697 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1F ZINC000776846635 1136746093 /nfs/dbraw/zinc/74/60/93/1136746093.db2.gz DZLZOJORYOQXOH-UHFFFAOYSA-N 1 2 348.175 3.513 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC000776846677 1136746573 /nfs/dbraw/zinc/74/65/73/1136746573.db2.gz GQVSBRLSNKJCEG-NSHDSACASA-N 1 2 333.313 3.844 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000816636603 1136747440 /nfs/dbraw/zinc/74/74/40/1136747440.db2.gz BYUDFRDPWZJLBW-MRXNPFEDSA-N 1 2 347.890 3.929 20 0 EHADLO COC[C@H]1CC[N@H+]1Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000816636603 1136747443 /nfs/dbraw/zinc/74/74/43/1136747443.db2.gz BYUDFRDPWZJLBW-MRXNPFEDSA-N 1 2 347.890 3.929 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](C2CCCC2)C1 ZINC000817156680 1136782382 /nfs/dbraw/zinc/78/23/82/1136782382.db2.gz UUTAIKDMEHAEAC-SFHVURJKSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)Cc2ccccc2Cl)cc(C)[nH+]1 ZINC000817153741 1136782469 /nfs/dbraw/zinc/78/24/69/1136782469.db2.gz DEBRIAVXFPHDQC-AWEZNQCLSA-N 1 2 331.847 3.782 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cccc3c2OCCO3)c1C ZINC000776893488 1136799577 /nfs/dbraw/zinc/79/95/77/1136799577.db2.gz NFKDXELWTPFWPK-UHFFFAOYSA-N 1 2 331.437 3.912 20 0 EHADLO COc1ccc(/C=C(\C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1F ZINC000817458855 1136808489 /nfs/dbraw/zinc/80/84/89/1136808489.db2.gz MKNQKHLHQVTHDH-KPKJPENVSA-N 1 2 328.387 3.566 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CCc4cccnc4CC3)cc2)CCO1 ZINC000817584706 1136825364 /nfs/dbraw/zinc/82/53/64/1136825364.db2.gz DIXQUHIYZNOTDE-AEFFLSMTSA-N 1 2 337.467 3.666 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCCCCCC2)CC1 ZINC000114781108 1136832872 /nfs/dbraw/zinc/83/28/72/1136832872.db2.gz RNOARVMREVVZDF-QGZVFWFLSA-N 1 2 344.503 3.583 20 0 EHADLO FC(F)[C@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1 ZINC000857076844 1136841762 /nfs/dbraw/zinc/84/17/62/1136841762.db2.gz YAUMBZFQXMWRBV-CQSZACIVSA-N 1 2 341.199 3.983 20 0 EHADLO Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc4[nH+]ccn43)s2)c1 ZINC000776928420 1136859137 /nfs/dbraw/zinc/85/91/37/1136859137.db2.gz LRNSMXUXPIGMTL-UHFFFAOYSA-N 1 2 349.419 3.722 20 0 EHADLO CCCC[C@@](C)(F)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000857588795 1136887196 /nfs/dbraw/zinc/88/71/96/1136887196.db2.gz QJAGBIVWRKMBDM-LJQANCHMSA-N 1 2 336.451 3.684 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(O)c(C(C)C)c1 ZINC000857988244 1136927589 /nfs/dbraw/zinc/92/75/89/1136927589.db2.gz DACPFCUENKHMHZ-INIZCTEOSA-N 1 2 327.428 3.710 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010410 1136929339 /nfs/dbraw/zinc/92/93/39/1136929339.db2.gz AGTFLXXUPYWTNT-GOSISDBHSA-N 1 2 340.471 3.780 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010410 1136929340 /nfs/dbraw/zinc/92/93/40/1136929340.db2.gz AGTFLXXUPYWTNT-GOSISDBHSA-N 1 2 340.471 3.780 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013840 1136931211 /nfs/dbraw/zinc/93/12/11/1136931211.db2.gz GKSHCVCXLKBLJO-XJKSGUPXSA-N 1 2 342.443 3.509 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013840 1136931213 /nfs/dbraw/zinc/93/12/13/1136931213.db2.gz GKSHCVCXLKBLJO-XJKSGUPXSA-N 1 2 342.443 3.509 20 0 EHADLO CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC000858170337 1136946028 /nfs/dbraw/zinc/94/60/28/1136946028.db2.gz JGRFMJOGHIQNBC-UHFFFAOYSA-N 1 2 329.753 3.508 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccns1 ZINC000858317321 1136958078 /nfs/dbraw/zinc/95/80/78/1136958078.db2.gz WBCPCMNLETWULZ-VIFPVBQESA-N 1 2 340.374 3.899 20 0 EHADLO CC(C)[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000819883437 1136964951 /nfs/dbraw/zinc/96/49/51/1136964951.db2.gz XBZQUUFNPWGDQG-YLJYHZDGSA-N 1 2 348.450 3.840 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC000339013171 1136989268 /nfs/dbraw/zinc/98/92/68/1136989268.db2.gz KBXYHIBUHRCDHB-AWEZNQCLSA-N 1 2 346.471 3.855 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2sccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC000339013171 1136989270 /nfs/dbraw/zinc/98/92/70/1136989270.db2.gz KBXYHIBUHRCDHB-AWEZNQCLSA-N 1 2 346.471 3.855 20 0 EHADLO CCOc1cccc(/C=C\C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000859220477 1137008226 /nfs/dbraw/zinc/00/82/26/1137008226.db2.gz GSMOUQUQYUZDIV-QXMHVHEDSA-N 1 2 339.439 3.502 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCc1ccccc1 ZINC001136394109 1137010986 /nfs/dbraw/zinc/01/09/86/1137010986.db2.gz GHSSNGHDLCEMRA-GOSISDBHSA-N 1 2 327.472 3.827 20 0 EHADLO Cc1cc(N)nc(SCCCCCCNC(=O)OC(C)(C)C)[nH+]1 ZINC000821069146 1137016475 /nfs/dbraw/zinc/01/64/75/1137016475.db2.gz BJRWXMYSROYKTK-UHFFFAOYSA-N 1 2 340.493 3.544 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc2[nH]cnc21 ZINC001136460731 1137031155 /nfs/dbraw/zinc/03/11/55/1137031155.db2.gz LSFZBMNGIBJTLN-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000860043353 1137041844 /nfs/dbraw/zinc/04/18/44/1137041844.db2.gz UKIKUXRRNIHMTQ-CXAGYDPISA-N 1 2 340.402 3.535 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccns3)nc(=O)c2c1C ZINC000860054901 1137042307 /nfs/dbraw/zinc/04/23/07/1137042307.db2.gz PFUIGBXLQHHVGL-DTWKUNHWSA-N 1 2 334.470 3.882 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001136581283 1137056855 /nfs/dbraw/zinc/05/68/55/1137056855.db2.gz PZFHFUONJNEKQQ-RDBSUJKOSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001136578188 1137057944 /nfs/dbraw/zinc/05/79/44/1137057944.db2.gz DJSXQONHHBPLGB-SFHVURJKSA-N 1 2 345.874 3.913 20 0 EHADLO O=C(/C=C/C1CCCCC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000117629079 1137068358 /nfs/dbraw/zinc/06/83/58/1137068358.db2.gz HVLDZKQXYIDGII-MDZDMXLPSA-N 1 2 328.456 3.594 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Sc2ccccn2)ccc1-n1cc[nH+]c1 ZINC001136624657 1137072792 /nfs/dbraw/zinc/07/27/92/1137072792.db2.gz DUEUGFMSSZHKGI-AWEZNQCLSA-N 1 2 338.436 3.695 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000860684043 1137072836 /nfs/dbraw/zinc/07/28/36/1137072836.db2.gz PGKVIMCBGWWWEI-PLNGDYQASA-N 1 2 344.358 3.690 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000860684525 1137072873 /nfs/dbraw/zinc/07/28/73/1137072873.db2.gz WGBOHVITYAEFSC-UHFFFAOYSA-N 1 2 346.736 3.882 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136637986 1137077695 /nfs/dbraw/zinc/07/76/95/1137077695.db2.gz JTOAILPKKVYMHG-KFWWJZLASA-N 1 2 343.393 3.805 20 0 EHADLO CC[C@H](C(=O)N[C@@H](c1ccccc1)C1CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136690871 1137091600 /nfs/dbraw/zinc/09/16/00/1137091600.db2.gz WZAASCMCJRCTCK-AQNXPRMDSA-N 1 2 344.499 3.533 20 0 EHADLO CC[C@H](C(=O)N[C@@H](c1ccccc1)C1CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136690871 1137091602 /nfs/dbraw/zinc/09/16/02/1137091602.db2.gz WZAASCMCJRCTCK-AQNXPRMDSA-N 1 2 344.499 3.533 20 0 EHADLO Cc1cncnc1OC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001137662571 1137096402 /nfs/dbraw/zinc/09/64/02/1137096402.db2.gz XYEUABULXORWJH-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ccc(N2CCC[N@H+](Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000823371579 1137096918 /nfs/dbraw/zinc/09/69/18/1137096918.db2.gz FKJWEVHTUMFJRS-UHFFFAOYSA-N 1 2 333.838 3.895 20 0 EHADLO Cc1ccc(N2CCC[N@@H+](Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000823371579 1137096920 /nfs/dbraw/zinc/09/69/20/1137096920.db2.gz FKJWEVHTUMFJRS-UHFFFAOYSA-N 1 2 333.838 3.895 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000823382204 1137097221 /nfs/dbraw/zinc/09/72/21/1137097221.db2.gz VCUCVLJQNYIWHR-BARDWOONSA-N 1 2 349.475 3.875 20 0 EHADLO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662657 1137097732 /nfs/dbraw/zinc/09/77/32/1137097732.db2.gz ZPZJLAMXNXOEAU-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662657 1137097734 /nfs/dbraw/zinc/09/77/34/1137097734.db2.gz ZPZJLAMXNXOEAU-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001136719239 1137101003 /nfs/dbraw/zinc/10/10/03/1137101003.db2.gz WIIUUYDTMWFBOH-INIZCTEOSA-N 1 2 333.435 3.668 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001136719239 1137101004 /nfs/dbraw/zinc/10/10/04/1137101004.db2.gz WIIUUYDTMWFBOH-INIZCTEOSA-N 1 2 333.435 3.668 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000861350374 1137102413 /nfs/dbraw/zinc/10/24/13/1137102413.db2.gz ODANXLHTFDMUQG-IYNGYCSASA-N 1 2 347.509 3.623 20 0 EHADLO O=C(OCC[NH+]1CCC1)c1sc2ccccc2c1Br ZINC000861391720 1137104209 /nfs/dbraw/zinc/10/42/09/1137104209.db2.gz IMWCXRQWHBDZEH-UHFFFAOYSA-N 1 2 340.242 3.526 20 0 EHADLO O=C(/C=C\[C@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823769391 1137113108 /nfs/dbraw/zinc/11/31/08/1137113108.db2.gz ASZXWSCHSFKXTI-BLIJAFNYSA-N 1 2 337.423 3.560 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000823989628 1137121502 /nfs/dbraw/zinc/12/15/02/1137121502.db2.gz ACZAWNXLRQSJAK-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](F)c3ccccc3)CC2)s1 ZINC001136854666 1137132033 /nfs/dbraw/zinc/13/20/33/1137132033.db2.gz GWRYCXXNCVCFKI-GOSISDBHSA-N 1 2 346.471 3.666 20 0 EHADLO C[C@@H](C[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1)NC(=O)OC(C)(C)C ZINC000777249858 1137138972 /nfs/dbraw/zinc/13/89/72/1137138972.db2.gz USBUHVPBMFWGRF-GJZGRUSLSA-N 1 2 348.491 3.786 20 0 EHADLO O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001136882075 1137139466 /nfs/dbraw/zinc/13/94/66/1137139466.db2.gz ADKZNWRIULUSCQ-UHFFFAOYSA-N 1 2 325.799 3.678 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1C ZINC001136890413 1137141127 /nfs/dbraw/zinc/14/11/27/1137141127.db2.gz MXXNSOASCLVKFO-VZWFDDOASA-N 1 2 349.478 3.699 20 0 EHADLO OCC[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000824672339 1137147628 /nfs/dbraw/zinc/14/76/28/1137147628.db2.gz AUHAIDJXSSTPKY-OAHLLOKOSA-N 1 2 340.345 3.784 20 0 EHADLO CCc1cnc(C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)s1 ZINC000824935766 1137158127 /nfs/dbraw/zinc/15/81/27/1137158127.db2.gz LEVWBYNWNUYKRD-UHFFFAOYSA-N 1 2 339.505 3.585 20 0 EHADLO CCc1cnc(C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)s1 ZINC000824935766 1137158128 /nfs/dbraw/zinc/15/81/28/1137158128.db2.gz LEVWBYNWNUYKRD-UHFFFAOYSA-N 1 2 339.505 3.585 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000825005983 1137160116 /nfs/dbraw/zinc/16/01/16/1137160116.db2.gz WWNMVQARMXJVID-LBPRGKRZSA-N 1 2 346.866 3.733 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000863255099 1137178210 /nfs/dbraw/zinc/17/82/10/1137178210.db2.gz RHRFTTSZHMLGGB-SJORKVTESA-N 1 2 337.467 3.697 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)[C@@H](C)C(=O)OC ZINC001143365068 1137182662 /nfs/dbraw/zinc/18/26/62/1137182662.db2.gz JEMJSBJZJFRREE-VIFPVBQESA-N 1 2 339.741 3.622 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)[C@@H](C)C(=O)OC ZINC001143365068 1137182663 /nfs/dbraw/zinc/18/26/63/1137182663.db2.gz JEMJSBJZJFRREE-VIFPVBQESA-N 1 2 339.741 3.622 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843848385 1137184304 /nfs/dbraw/zinc/18/43/04/1137184304.db2.gz GODMANFVPGWVMB-LSDHHAIUSA-N 1 2 342.817 3.621 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C2(F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843848385 1137184305 /nfs/dbraw/zinc/18/43/05/1137184305.db2.gz GODMANFVPGWVMB-LSDHHAIUSA-N 1 2 342.817 3.621 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[NH+]2Cc3ccccc3C2)ccn1 ZINC001143683334 1137189504 /nfs/dbraw/zinc/18/95/04/1137189504.db2.gz CNZPERNNXJSTGY-UHFFFAOYSA-N 1 2 325.412 3.944 20 0 EHADLO O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1ccn2cc[nH+]c2c1 ZINC001143685744 1137191134 /nfs/dbraw/zinc/19/11/34/1137191134.db2.gz JUIQHZFMXZMDDM-UHFFFAOYSA-N 1 2 337.276 3.673 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2c1cnn2CC ZINC001143760625 1137198023 /nfs/dbraw/zinc/19/80/23/1137198023.db2.gz ATSCTTKQRDMQNJ-OAHLLOKOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2c1cnn2CC ZINC001143760625 1137198024 /nfs/dbraw/zinc/19/80/24/1137198024.db2.gz ATSCTTKQRDMQNJ-OAHLLOKOSA-N 1 2 349.425 3.626 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC001143787945 1137199827 /nfs/dbraw/zinc/19/98/27/1137199827.db2.gz UJTRLTPJYVANON-UHFFFAOYSA-N 1 2 340.814 3.856 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1F ZINC001143825380 1137202232 /nfs/dbraw/zinc/20/22/32/1137202232.db2.gz LJNPTPFSYATUEY-DOMZBBRYSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1F ZINC001143825380 1137202233 /nfs/dbraw/zinc/20/22/33/1137202233.db2.gz LJNPTPFSYATUEY-DOMZBBRYSA-N 1 2 327.827 3.879 20 0 EHADLO C[C@]1(O)CC[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143880135 1137209205 /nfs/dbraw/zinc/20/92/05/1137209205.db2.gz ISHHUPBWDUJIDG-LBPRGKRZSA-N 1 2 328.161 3.969 20 0 EHADLO C[C@]1(O)CC[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143880135 1137209203 /nfs/dbraw/zinc/20/92/03/1137209203.db2.gz ISHHUPBWDUJIDG-LBPRGKRZSA-N 1 2 328.161 3.969 20 0 EHADLO CCOc1ccc(F)c(C[N@H+](C)CCCC(=O)c2cccnc2)c1F ZINC001143937272 1137216112 /nfs/dbraw/zinc/21/61/12/1137216112.db2.gz HNNCDRKWTQTJJL-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+](C)CCCC(=O)c2cccnc2)c1F ZINC001143937272 1137216113 /nfs/dbraw/zinc/21/61/13/1137216113.db2.gz HNNCDRKWTQTJJL-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO Cc1cc(NC(=O)c2cccc3ccc(=O)[nH]c32)ccc1-n1cc[nH+]c1 ZINC001143939254 1137216393 /nfs/dbraw/zinc/21/63/93/1137216393.db2.gz BEAWAQWOFBTMOP-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO COCc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001143940321 1137216593 /nfs/dbraw/zinc/21/65/93/1137216593.db2.gz XPGOYHBXPNQBIB-UHFFFAOYSA-N 1 2 335.407 3.508 20 0 EHADLO CNC(=O)CC[N@@H+](C)Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144041238 1137230818 /nfs/dbraw/zinc/23/08/18/1137230818.db2.gz JEGZENXYTZHXQC-UHFFFAOYSA-N 1 2 343.176 3.580 20 0 EHADLO CCCC[N@H+](Cn1nc(C)n(-c2ccc(OC)cc2)c1=S)C1CC1 ZINC000794621238 1137221209 /nfs/dbraw/zinc/22/12/09/1137221209.db2.gz VUAUSUNMHQVTFE-UHFFFAOYSA-N 1 2 346.500 3.942 20 0 EHADLO CCCC[N@@H+](Cn1nc(C)n(-c2ccc(OC)cc2)c1=S)C1CC1 ZINC000794621238 1137221211 /nfs/dbraw/zinc/22/12/11/1137221211.db2.gz VUAUSUNMHQVTFE-UHFFFAOYSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844482608 1137225641 /nfs/dbraw/zinc/22/56/41/1137225641.db2.gz ZUWXEOUVKOYLNU-HHXXYDBFSA-N 1 2 342.439 3.797 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1ccccn1 ZINC000794684033 1137226182 /nfs/dbraw/zinc/22/61/82/1137226182.db2.gz HUYSXRAOCZNDAJ-AWEZNQCLSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1ccccn1 ZINC000794684033 1137226183 /nfs/dbraw/zinc/22/61/83/1137226183.db2.gz HUYSXRAOCZNDAJ-AWEZNQCLSA-N 1 2 345.516 3.964 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001143996604 1137226788 /nfs/dbraw/zinc/22/67/88/1137226788.db2.gz CZONBFKCYAAFIO-ZIAGYGMSSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001143996604 1137226789 /nfs/dbraw/zinc/22/67/89/1137226789.db2.gz CZONBFKCYAAFIO-ZIAGYGMSSA-N 1 2 339.304 3.866 20 0 EHADLO Cc1cc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc(C)c1Br ZINC000844493354 1137228778 /nfs/dbraw/zinc/22/87/78/1137228778.db2.gz CUCAULZLULAVGJ-LBPRGKRZSA-N 1 2 337.217 3.819 20 0 EHADLO CNC(=O)CC[N@H+](C)Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144041238 1137230817 /nfs/dbraw/zinc/23/08/17/1137230817.db2.gz JEGZENXYTZHXQC-UHFFFAOYSA-N 1 2 343.176 3.580 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000794688595 1137232398 /nfs/dbraw/zinc/23/23/98/1137232398.db2.gz QJJMXJWKRFBNTQ-UHFFFAOYSA-N 1 2 346.500 3.610 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000794688595 1137232399 /nfs/dbraw/zinc/23/23/99/1137232399.db2.gz QJJMXJWKRFBNTQ-UHFFFAOYSA-N 1 2 346.500 3.610 20 0 EHADLO CC(C)C[N@H+](Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CC1 ZINC000844684833 1137246853 /nfs/dbraw/zinc/24/68/53/1137246853.db2.gz QFKNETMVVKTYKW-UHFFFAOYSA-N 1 2 337.876 3.703 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CC1 ZINC000844684833 1137246855 /nfs/dbraw/zinc/24/68/55/1137246855.db2.gz QFKNETMVVKTYKW-UHFFFAOYSA-N 1 2 337.876 3.703 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794801456 1137251998 /nfs/dbraw/zinc/25/19/98/1137251998.db2.gz GHEUJHCVVQPIEA-BLLLJJGKSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794801456 1137252000 /nfs/dbraw/zinc/25/20/00/1137252000.db2.gz GHEUJHCVVQPIEA-BLLLJJGKSA-N 1 2 329.362 3.836 20 0 EHADLO O=C(CCC(=O)C1CC1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001144223098 1137256082 /nfs/dbraw/zinc/25/60/82/1137256082.db2.gz PACSPNSOSMCBTF-UHFFFAOYSA-N 1 2 348.446 3.900 20 0 EHADLO O=C(CCC(=O)C1CC1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001144223098 1137256084 /nfs/dbraw/zinc/25/60/84/1137256084.db2.gz PACSPNSOSMCBTF-UHFFFAOYSA-N 1 2 348.446 3.900 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3nc[nH]c3C(C)(C)C)c2)[nH+]c1C ZINC000864991477 1137257018 /nfs/dbraw/zinc/25/70/18/1137257018.db2.gz BXRNGUOVMNRVFO-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865141354 1137264877 /nfs/dbraw/zinc/26/48/77/1137264877.db2.gz RTDDRXRGBLTODH-XFNCEPBJSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865141104 1137264988 /nfs/dbraw/zinc/26/49/88/1137264988.db2.gz PANBEBNTYVVUKH-MRXNPFEDSA-N 1 2 348.406 3.617 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140844 1137265065 /nfs/dbraw/zinc/26/50/65/1137265065.db2.gz KPIYKKRJYNJXKB-ZBFHGGJFSA-N 1 2 329.419 3.524 20 0 EHADLO CCOc1cc(F)cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000865420731 1137282118 /nfs/dbraw/zinc/28/21/18/1137282118.db2.gz IMIRKPOABVMYTK-UHFFFAOYSA-N 1 2 344.430 3.798 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279332 1137283369 /nfs/dbraw/zinc/28/33/69/1137283369.db2.gz ZTRXBHJEEUHIHM-GJZGRUSLSA-N 1 2 343.427 3.528 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)nn1 ZINC000865456423 1137285570 /nfs/dbraw/zinc/28/55/70/1137285570.db2.gz KORVEYQEXLSLSS-FQEVSTJZSA-N 1 2 336.439 3.598 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccc(Br)c2F)nc1 ZINC001144428433 1137291048 /nfs/dbraw/zinc/29/10/48/1137291048.db2.gz LMGDVEJGKZGGMG-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2F)nc1 ZINC001144428433 1137291049 /nfs/dbraw/zinc/29/10/49/1137291049.db2.gz LMGDVEJGKZGGMG-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO C[C@H](CC(=O)OCc1ccccc1N1CCCCC1)n1cc[nH+]c1 ZINC000845500188 1137295317 /nfs/dbraw/zinc/29/53/17/1137295317.db2.gz VKBZTIBZJOEHNA-MRXNPFEDSA-N 1 2 327.428 3.568 20 0 EHADLO Cn1cc(C[NH2+][C@H]2CCCC2(F)F)c(-c2cc(F)ccc2F)n1 ZINC000865569975 1137295796 /nfs/dbraw/zinc/29/57/96/1137295796.db2.gz YVEJOMTYMVDGJU-AWEZNQCLSA-N 1 2 327.325 3.643 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)cs1 ZINC000865573771 1137296193 /nfs/dbraw/zinc/29/61/93/1137296193.db2.gz MVXGDLCTGHZHMK-UHFFFAOYSA-N 1 2 334.485 3.885 20 0 EHADLO CC(C)S[C@@H]1CCCC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845511143 1137297539 /nfs/dbraw/zinc/29/75/39/1137297539.db2.gz QPRLYVUHFFFZMH-HZPDHXFCSA-N 1 2 336.501 3.758 20 0 EHADLO C[C@H](CC(=O)OC[C@@H]1CCN(c2ccccc2Cl)C1)n1cc[nH+]c1 ZINC000845580112 1137299445 /nfs/dbraw/zinc/29/94/45/1137299445.db2.gz ZFFXPTBVRRVIMD-HUUCEWRRSA-N 1 2 347.846 3.557 20 0 EHADLO C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000845655542 1137303652 /nfs/dbraw/zinc/30/36/52/1137303652.db2.gz ZQPCWZARPMFZJK-GFCCVEGCSA-N 1 2 344.833 3.631 20 0 EHADLO C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000845655542 1137303653 /nfs/dbraw/zinc/30/36/53/1137303653.db2.gz ZQPCWZARPMFZJK-GFCCVEGCSA-N 1 2 344.833 3.631 20 0 EHADLO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144591172 1137313670 /nfs/dbraw/zinc/31/36/70/1137313670.db2.gz TZIFFLRYKQBUPB-GFCCVEGCSA-N 1 2 328.225 3.698 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1noc3ccc(F)cc13)O[C@@H](C)C2 ZINC000865760540 1137309372 /nfs/dbraw/zinc/30/93/72/1137309372.db2.gz KCICDPOZPNYXOI-NSHDSACASA-N 1 2 342.370 3.589 20 0 EHADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144591172 1137313672 /nfs/dbraw/zinc/31/36/72/1137313672.db2.gz TZIFFLRYKQBUPB-GFCCVEGCSA-N 1 2 328.225 3.698 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)on1 ZINC000865764337 1137309806 /nfs/dbraw/zinc/30/98/06/1137309806.db2.gz XIIZKHTWKVVJNA-UHFFFAOYSA-N 1 2 347.173 3.587 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(SC(F)(F)F)o1 ZINC000865952807 1137322031 /nfs/dbraw/zinc/32/20/31/1137322031.db2.gz RADOUNDISLBLED-UHFFFAOYSA-N 1 2 345.346 3.519 20 0 EHADLO C[C@@H](CNC(=O)CCc1ccc(F)c2ccccc12)Cn1cc[nH+]c1 ZINC000866001439 1137323976 /nfs/dbraw/zinc/32/39/76/1137323976.db2.gz APYAYZGAWDLCQS-HNNXBMFYSA-N 1 2 339.414 3.561 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1F ZINC000846012625 1137325831 /nfs/dbraw/zinc/32/58/31/1137325831.db2.gz GHAMPTKUSZONFV-YMTOWFKASA-N 1 2 329.202 3.739 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144689679 1137331156 /nfs/dbraw/zinc/33/11/56/1137331156.db2.gz IKFAOVNZLBVMFO-ZDUSSCGKSA-N 1 2 348.668 3.732 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144689679 1137331157 /nfs/dbraw/zinc/33/11/57/1137331157.db2.gz IKFAOVNZLBVMFO-ZDUSSCGKSA-N 1 2 348.668 3.732 20 0 EHADLO Fc1cccc2c1C[N@H+](Cc1c[nH]c3cc(Br)cnc13)C2 ZINC001144700213 1137331485 /nfs/dbraw/zinc/33/14/85/1137331485.db2.gz BTOORMHLABDIFV-UHFFFAOYSA-N 1 2 346.203 3.980 20 0 EHADLO Fc1cccc2c1C[N@@H+](Cc1c[nH]c3cc(Br)cnc13)C2 ZINC001144700213 1137331487 /nfs/dbraw/zinc/33/14/87/1137331487.db2.gz BTOORMHLABDIFV-UHFFFAOYSA-N 1 2 346.203 3.980 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000846117334 1137334199 /nfs/dbraw/zinc/33/41/99/1137334199.db2.gz MRVPECOFDZNMMA-ZBFHGGJFSA-N 1 2 349.475 3.676 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3cc(F)c(F)cc3Cl)CC2)c1 ZINC001144727631 1137337014 /nfs/dbraw/zinc/33/70/14/1137337014.db2.gz ZWCRSFNFQUEIDZ-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)OCCCO2 ZINC000866231816 1137337121 /nfs/dbraw/zinc/33/71/21/1137337121.db2.gz AEHBQGDVQVJJQU-GQWAEJPESA-N 1 2 343.398 3.970 20 0 EHADLO CCCC(=O)Nc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866234047 1137337360 /nfs/dbraw/zinc/33/73/60/1137337360.db2.gz KFUMCFLNYCWULW-PXNSSMCTSA-N 1 2 342.414 3.987 20 0 EHADLO Cc1[nH+]cc(CN[C@@H]2c3ccccc3OC[C@H]2F)n1-c1ccccc1 ZINC000866275052 1137341891 /nfs/dbraw/zinc/34/18/91/1137341891.db2.gz DOJJUMBVKLSCEC-UYAOXDASSA-N 1 2 337.398 3.742 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1cccc(-n2cccn2)c1 ZINC000866276355 1137341959 /nfs/dbraw/zinc/34/19/59/1137341959.db2.gz OPXJFUAQGTUCTJ-ADLFWFRXSA-N 1 2 337.398 3.995 20 0 EHADLO Cc1cncc([C@@H]2CCCN2c2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000866277651 1137342062 /nfs/dbraw/zinc/34/20/62/1137342062.db2.gz OPXQTVIXMLDCEL-INIZCTEOSA-N 1 2 336.443 3.626 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2cn[nH]n2)cc1 ZINC000846212584 1137343610 /nfs/dbraw/zinc/34/36/10/1137343610.db2.gz FTABXARDGKPTTJ-BXUZGUMPSA-N 1 2 343.233 3.597 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2c[nH]nn2)cc1 ZINC000846212584 1137343611 /nfs/dbraw/zinc/34/36/11/1137343611.db2.gz FTABXARDGKPTTJ-BXUZGUMPSA-N 1 2 343.233 3.597 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(Cl)n1 ZINC000866419383 1137352953 /nfs/dbraw/zinc/35/29/53/1137352953.db2.gz APZGXHHSKYVPIK-UHFFFAOYSA-N 1 2 346.862 3.775 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(Cl)n1 ZINC000866419383 1137352955 /nfs/dbraw/zinc/35/29/55/1137352955.db2.gz APZGXHHSKYVPIK-UHFFFAOYSA-N 1 2 346.862 3.775 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001144873297 1137358655 /nfs/dbraw/zinc/35/86/55/1137358655.db2.gz NPEXGHLTJBCFTC-UHFFFAOYSA-N 1 2 345.512 3.608 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H](F)c1ccccc1 ZINC000846656595 1137360512 /nfs/dbraw/zinc/36/05/12/1137360512.db2.gz WPCIVJWATBFGGA-BQFCYCMXSA-N 1 2 327.403 3.632 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cnn1-c1ccccc1 ZINC000866562453 1137364835 /nfs/dbraw/zinc/36/48/35/1137364835.db2.gz BQFFGQQYORGVHR-GFCCVEGCSA-N 1 2 345.397 3.703 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3cnc(Cl)c(F)c3)CC2)c1C ZINC000846805150 1137368210 /nfs/dbraw/zinc/36/82/10/1137368210.db2.gz DPQMIXALACQKEJ-UHFFFAOYSA-N 1 2 348.849 3.975 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000866626461 1137371146 /nfs/dbraw/zinc/37/11/46/1137371146.db2.gz MRWSRNMXXAFSMC-OALUTQOASA-N 1 2 329.488 3.592 20 0 EHADLO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1cnsn1 ZINC000846917957 1137375334 /nfs/dbraw/zinc/37/53/34/1137375334.db2.gz GILNLSDPVJUBRE-ZDUSSCGKSA-N 1 2 338.274 3.714 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000866745255 1137375837 /nfs/dbraw/zinc/37/58/37/1137375837.db2.gz VPYNKDRNACRGJO-ARJAWSKDSA-N 1 2 343.374 3.525 20 0 EHADLO Cc1ccc(NC(=O)c2cc(Cl)nc(C3CC3)c2)c(N(C)C)[nH+]1 ZINC000846928279 1137376006 /nfs/dbraw/zinc/37/60/06/1137376006.db2.gz BCZPAELHEVWHOF-UHFFFAOYSA-N 1 2 330.819 3.634 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)OCCC(F)(F)F ZINC000866751339 1137376173 /nfs/dbraw/zinc/37/61/73/1137376173.db2.gz WAANFBXKQZFSIT-UHFFFAOYSA-N 1 2 345.365 3.641 20 0 EHADLO CCOC(=O)/C(=C\c1cc(-n2cc[nH+]c2)cs1)c1ncccc1C ZINC000794955385 1137377969 /nfs/dbraw/zinc/37/79/69/1137377969.db2.gz XOGDSLKWGJXPJF-YBEGLDIGSA-N 1 2 339.420 3.741 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267374 1137386675 /nfs/dbraw/zinc/38/66/75/1137386675.db2.gz PIKBMSYFDGFKTA-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267374 1137386676 /nfs/dbraw/zinc/38/66/76/1137386676.db2.gz PIKBMSYFDGFKTA-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CCC4(CCC4)C3)c(=S)n2C)c1 ZINC000121903264 1137388762 /nfs/dbraw/zinc/38/87/62/1137388762.db2.gz LDAHHEXEIZGTFB-UHFFFAOYSA-N 1 2 328.485 3.760 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CCC4(CCC4)C3)c(=S)n2C)c1 ZINC000121903264 1137388764 /nfs/dbraw/zinc/38/87/64/1137388764.db2.gz LDAHHEXEIZGTFB-UHFFFAOYSA-N 1 2 328.485 3.760 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001146409626 1137390087 /nfs/dbraw/zinc/39/00/87/1137390087.db2.gz BUKHGTYWYPQUDQ-QFIPXVFZSA-N 1 2 345.446 3.991 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@]12C[C@H]1CCCC2 ZINC000867936360 1137390287 /nfs/dbraw/zinc/39/02/87/1137390287.db2.gz XJOCMIJFNZWNDN-OXQOHEQNSA-N 1 2 327.472 3.506 20 0 EHADLO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867939689 1137390559 /nfs/dbraw/zinc/39/05/59/1137390559.db2.gz IWKAXEJSDARNGZ-DLBZAZTESA-N 1 2 349.862 3.732 20 0 EHADLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001147177887 1137402425 /nfs/dbraw/zinc/40/24/25/1137402425.db2.gz KHGXINXXCAUIHV-UHFFFAOYSA-N 1 2 349.434 3.708 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)c2cc1C ZINC000122089606 1137404804 /nfs/dbraw/zinc/40/48/04/1137404804.db2.gz UHHQEAVJHRTSKO-GOSISDBHSA-N 1 2 327.453 3.746 20 0 EHADLO Cc1cc2ncn(C[N@H+]3CCO[C@@H](c4ccsc4)C3)c2cc1C ZINC000122089606 1137404805 /nfs/dbraw/zinc/40/48/05/1137404805.db2.gz UHHQEAVJHRTSKO-GOSISDBHSA-N 1 2 327.453 3.746 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1nc2c(s1)CCCC2 ZINC000772994483 1137434487 /nfs/dbraw/zinc/43/44/87/1137434487.db2.gz AGJCQBCMYIDDKE-NSHDSACASA-N 1 2 344.459 3.899 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000348106189 1137441348 /nfs/dbraw/zinc/44/13/48/1137441348.db2.gz FVOZTUHSDJVRAT-KBPBESRZSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348113359 1137441816 /nfs/dbraw/zinc/44/18/16/1137441816.db2.gz ROBAZVNMLIRVSO-UWVGGRQHSA-N 1 2 341.839 3.922 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1OCC ZINC000282724357 1137441979 /nfs/dbraw/zinc/44/19/79/1137441979.db2.gz MEGTYNOPLFMUMD-CQSZACIVSA-N 1 2 346.475 3.681 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282745449 1137445009 /nfs/dbraw/zinc/44/50/09/1137445009.db2.gz FUDRLXHYPVPXRS-CYBMUJFWSA-N 1 2 344.484 3.782 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)Oc3cnc4ccccc4c3)ccc2[nH+]1 ZINC000348203661 1137454749 /nfs/dbraw/zinc/45/47/49/1137454749.db2.gz BRVLVVOUMJPEEG-AWEZNQCLSA-N 1 2 346.390 3.597 20 0 EHADLO CC1(OCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000773031536 1137460507 /nfs/dbraw/zinc/46/05/07/1137460507.db2.gz NCODZEZXHKQPDA-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000339094875 1137467706 /nfs/dbraw/zinc/46/77/06/1137467706.db2.gz YONZQYXKYGBKPL-UHFFFAOYSA-N 1 2 345.446 3.822 20 0 EHADLO COc1cc(F)cc(CNc2cc[nH+]c(OCc3ccccn3)c2)c1 ZINC001171416473 1137476415 /nfs/dbraw/zinc/47/64/15/1137476415.db2.gz ZMWMWIPLEOSKFR-UHFFFAOYSA-N 1 2 339.370 3.815 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773256210 1137481793 /nfs/dbraw/zinc/48/17/93/1137481793.db2.gz BHSNABDZHAQTIW-QWHCGFSZSA-N 1 2 339.530 3.648 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773256210 1137481794 /nfs/dbraw/zinc/48/17/94/1137481794.db2.gz BHSNABDZHAQTIW-QWHCGFSZSA-N 1 2 339.530 3.648 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000870304095 1137486850 /nfs/dbraw/zinc/48/68/50/1137486850.db2.gz IPHAERAJMZJZIS-IBGZPJMESA-N 1 2 341.455 3.655 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489173 1137491285 /nfs/dbraw/zinc/49/12/85/1137491285.db2.gz RTKFIMTVFBDVGL-YOEHRIQHSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489173 1137491286 /nfs/dbraw/zinc/49/12/86/1137491286.db2.gz RTKFIMTVFBDVGL-YOEHRIQHSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NC(C)(C)CC(=O)N2CCCC2)c1C ZINC001171490116 1137491557 /nfs/dbraw/zinc/49/15/57/1137491557.db2.gz JFCQTSLBNYCIBR-UHFFFAOYSA-N 1 2 332.492 3.594 20 0 EHADLO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266095383 1137494869 /nfs/dbraw/zinc/49/48/69/1137494869.db2.gz JPJGGDPZBNRBHO-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO CC(C)[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001171775995 1137509930 /nfs/dbraw/zinc/50/99/30/1137509930.db2.gz LYGHSXDFVYGGIJ-PXNSSMCTSA-N 1 2 341.426 3.651 20 0 EHADLO CC[C@@H]1C[C@H]([NH+]2CC(C)(F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821379 1137511710 /nfs/dbraw/zinc/51/17/10/1137511710.db2.gz QTNFMRAMVLDNOM-FICVDOATSA-N 1 2 328.472 3.987 20 0 EHADLO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172343860 1137552706 /nfs/dbraw/zinc/55/27/06/1137552706.db2.gz VUOFXKPERDOBRC-GHMZBOCLSA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172343860 1137552707 /nfs/dbraw/zinc/55/27/07/1137552707.db2.gz VUOFXKPERDOBRC-GHMZBOCLSA-N 1 2 347.322 3.857 20 0 EHADLO COC(=O)C[N@H+](Cc1cccc(F)c1OC(F)F)C1CCCCC1 ZINC001171853835 1137516123 /nfs/dbraw/zinc/51/61/23/1137516123.db2.gz LFCCFVFIOCLBOO-UHFFFAOYSA-N 1 2 345.361 3.735 20 0 EHADLO COC(=O)C[N@@H+](Cc1cccc(F)c1OC(F)F)C1CCCCC1 ZINC001171853835 1137516124 /nfs/dbraw/zinc/51/61/24/1137516124.db2.gz LFCCFVFIOCLBOO-UHFFFAOYSA-N 1 2 345.361 3.735 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H]1c1ccccc1 ZINC000888578711 1137544598 /nfs/dbraw/zinc/54/45/98/1137544598.db2.gz WJTIXKVHCKARDN-DNVCBOLYSA-N 1 2 334.423 3.627 20 0 EHADLO CCCCn1c(SCc2nocc2C)nnc1[C@@H](CC)[NH+](C)C ZINC000871628420 1137549876 /nfs/dbraw/zinc/54/98/76/1137549876.db2.gz UXBHKDFPOJIDHA-CQSZACIVSA-N 1 2 337.493 3.680 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)CCO[C@H](C)CC ZINC001172355473 1137554107 /nfs/dbraw/zinc/55/41/07/1137554107.db2.gz VJBVSVVHSDNXKM-LSDHHAIUSA-N 1 2 327.490 3.707 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)CCO[C@H](C)CC ZINC001172355473 1137554108 /nfs/dbraw/zinc/55/41/08/1137554108.db2.gz VJBVSVVHSDNXKM-LSDHHAIUSA-N 1 2 327.490 3.707 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000871937288 1137563419 /nfs/dbraw/zinc/56/34/19/1137563419.db2.gz UDQJZVVPJNFSLK-VXGBXAGGSA-N 1 2 331.370 3.942 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3nccnc3C)nc(=O)c2c1C ZINC000871937637 1137563479 /nfs/dbraw/zinc/56/34/79/1137563479.db2.gz WSCBQMSUSSLYRJ-WDEREUQCSA-N 1 2 343.456 3.524 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1cc(O)ccc1F)O[C@@H](C)C2 ZINC000872020498 1137565138 /nfs/dbraw/zinc/56/51/38/1137565138.db2.gz HLVDBDTZVKAOKM-RYUDHWBXSA-N 1 2 331.387 3.714 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(O)c1F ZINC000872059817 1137568806 /nfs/dbraw/zinc/56/88/06/1137568806.db2.gz LGOTXPIXBOBNRG-MCIONIFRSA-N 1 2 345.418 3.713 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CCOC4(CCCC4)C3)cc2)CCO1 ZINC000872060322 1137568894 /nfs/dbraw/zinc/56/88/94/1137568894.db2.gz PPHKXZSHBJNKIH-AEFFLSMTSA-N 1 2 330.472 3.815 20 0 EHADLO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ncc(Cl)s2)s1 ZINC000872114858 1137572020 /nfs/dbraw/zinc/57/20/20/1137572020.db2.gz CWYKWBOLQYOWFA-MRVPVSSYSA-N 1 2 331.894 3.601 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000872136313 1137573700 /nfs/dbraw/zinc/57/37/00/1137573700.db2.gz MEAXTUOZIDBVBK-ZDUSSCGKSA-N 1 2 336.233 3.653 20 0 EHADLO [NH3+][C@H](c1nc(CCc2ccco2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872175219 1137575164 /nfs/dbraw/zinc/57/51/64/1137575164.db2.gz KABVZSBZOPUGAN-AWEZNQCLSA-N 1 2 337.301 3.515 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872281204 1137577699 /nfs/dbraw/zinc/57/76/99/1137577699.db2.gz QNNYDFHOXUJGKH-DZGCQCFKSA-N 1 2 339.505 3.807 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872281204 1137577700 /nfs/dbraw/zinc/57/77/00/1137577700.db2.gz QNNYDFHOXUJGKH-DZGCQCFKSA-N 1 2 339.505 3.807 20 0 EHADLO COc1cc(C[N@H+](C)CN2CCC3(CCCC3)C2=O)ccc1SC ZINC000872573951 1137581651 /nfs/dbraw/zinc/58/16/51/1137581651.db2.gz TXYUXMWFYUOSJG-UHFFFAOYSA-N 1 2 348.512 3.599 20 0 EHADLO COc1cc(C[N@@H+](C)CN2CCC3(CCCC3)C2=O)ccc1SC ZINC000872573951 1137581652 /nfs/dbraw/zinc/58/16/52/1137581652.db2.gz TXYUXMWFYUOSJG-UHFFFAOYSA-N 1 2 348.512 3.599 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cn2cc(Br)cn2)c1 ZINC000124388185 1137589694 /nfs/dbraw/zinc/58/96/94/1137589694.db2.gz FEUAVIDMDPFAKM-UHFFFAOYSA-N 1 2 338.249 3.522 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cn2cc(Br)cn2)c1 ZINC000124388185 1137589695 /nfs/dbraw/zinc/58/96/95/1137589695.db2.gz FEUAVIDMDPFAKM-UHFFFAOYSA-N 1 2 338.249 3.522 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1ccc(C)nc1N1CCCC1 ZINC000873101681 1137590255 /nfs/dbraw/zinc/59/02/55/1137590255.db2.gz HAJNBULIJVELJD-UHFFFAOYSA-N 1 2 343.446 3.818 20 0 EHADLO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]Cc3ccon3)cccc21 ZINC000873127849 1137590761 /nfs/dbraw/zinc/59/07/61/1137590761.db2.gz YKWLZSIJHLXRCG-UHFFFAOYSA-N 1 2 343.427 3.652 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c1C ZINC000873176998 1137592711 /nfs/dbraw/zinc/59/27/11/1137592711.db2.gz XQUOISSVNVDSRT-UHFFFAOYSA-N 1 2 346.381 3.743 20 0 EHADLO Cc1cc(F)c(Br)cc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000873636963 1137605366 /nfs/dbraw/zinc/60/53/66/1137605366.db2.gz JTTPUQQMZGJOGX-JTQLQIEISA-N 1 2 341.180 3.650 20 0 EHADLO Cc1cc(Cl)ccc1OC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000873847814 1137607349 /nfs/dbraw/zinc/60/73/49/1137607349.db2.gz DFSXPHPDYKZGOC-LBPRGKRZSA-N 1 2 332.709 3.944 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1sccc1C(F)F ZINC000874157070 1137611198 /nfs/dbraw/zinc/61/11/98/1137611198.db2.gz IKEJVIREPXTGMD-NSHDSACASA-N 1 2 327.400 3.727 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC000874603607 1137618785 /nfs/dbraw/zinc/61/87/85/1137618785.db2.gz PDXZNUKSYXGMRK-HNNXBMFYSA-N 1 2 331.847 3.709 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc2c(n1)CCCC2 ZINC000874670876 1137621048 /nfs/dbraw/zinc/62/10/48/1137621048.db2.gz ALSOLLYDLRAZDL-KRWDZBQOSA-N 1 2 346.434 3.844 20 0 EHADLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874690646 1137621313 /nfs/dbraw/zinc/62/13/13/1137621313.db2.gz HZSYLVMHKGURTR-JTQLQIEISA-N 1 2 331.807 3.565 20 0 EHADLO Cc1cc(C)c(NC(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000875098628 1137629094 /nfs/dbraw/zinc/62/90/94/1137629094.db2.gz XUORLPOCXMOXMA-HNNXBMFYSA-N 1 2 345.443 3.559 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)C(C)(F)F)c1C ZINC000876181766 1137645733 /nfs/dbraw/zinc/64/57/33/1137645733.db2.gz SHPKJMFOIXIDBC-UHFFFAOYSA-N 1 2 343.418 3.530 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000876336382 1137649181 /nfs/dbraw/zinc/64/91/81/1137649181.db2.gz NFPXRFKKWTUULJ-AWEZNQCLSA-N 1 2 346.500 3.789 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N)n1cc[nH+]c1 ZINC000876506333 1137654350 /nfs/dbraw/zinc/65/43/50/1137654350.db2.gz RUFNUZFZPBXXRN-CQSZACIVSA-N 1 2 340.349 3.710 20 0 EHADLO Fc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)cc1 ZINC001137872410 1137655632 /nfs/dbraw/zinc/65/56/32/1137655632.db2.gz OSKXUYNHLHPKMP-OAHLLOKOSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)cc1 ZINC001137872410 1137655633 /nfs/dbraw/zinc/65/56/33/1137655633.db2.gz OSKXUYNHLHPKMP-OAHLLOKOSA-N 1 2 325.305 3.896 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000876592501 1137656588 /nfs/dbraw/zinc/65/65/88/1137656588.db2.gz QLTBCFGPFTXVKR-UHFFFAOYSA-N 1 2 331.243 3.554 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1C ZINC000877659037 1137684511 /nfs/dbraw/zinc/68/45/11/1137684511.db2.gz HLEKMJLKHSMCLA-GFCCVEGCSA-N 1 2 339.439 3.789 20 0 EHADLO CC(C)([NH2+]Cc1cnn2c1CCC2)c1nc2cc(Cl)ccc2o1 ZINC000877669179 1137685090 /nfs/dbraw/zinc/68/50/90/1137685090.db2.gz XAXMSYWZSRXIMK-UHFFFAOYSA-N 1 2 330.819 3.649 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](Cc3ncc(C(F)(F)F)s3)C2)n1 ZINC000877814336 1137691326 /nfs/dbraw/zinc/69/13/26/1137691326.db2.gz QMHFFZWBIZVJRV-SECBINFHSA-N 1 2 333.404 3.916 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](Cc3ncc(C(F)(F)F)s3)C2)n1 ZINC000877814336 1137691327 /nfs/dbraw/zinc/69/13/27/1137691327.db2.gz QMHFFZWBIZVJRV-SECBINFHSA-N 1 2 333.404 3.916 20 0 EHADLO CCn1nc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c2ccccc21 ZINC000877816288 1137691361 /nfs/dbraw/zinc/69/13/61/1137691361.db2.gz APRULQMXCGYJIO-UHFFFAOYSA-N 1 2 348.450 3.573 20 0 EHADLO CCn1nc(C[N@H+]2CCc3ccc(NC(C)=O)cc3C2)c2ccccc21 ZINC000877816288 1137691362 /nfs/dbraw/zinc/69/13/62/1137691362.db2.gz APRULQMXCGYJIO-UHFFFAOYSA-N 1 2 348.450 3.573 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCO[C@@H](C(C)(C)C)C2 ZINC000877853865 1137693413 /nfs/dbraw/zinc/69/34/13/1137693413.db2.gz NDWZUWNRGULQOQ-OXQOHEQNSA-N 1 2 336.520 3.843 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](C)Cc3ccc(Cl)cc3)cs2)n1 ZINC000877944663 1137696564 /nfs/dbraw/zinc/69/65/64/1137696564.db2.gz GPKYTBHWZCOHSB-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](C)Cc3ccc(Cl)cc3)cs2)n1 ZINC000877944663 1137696565 /nfs/dbraw/zinc/69/65/65/1137696565.db2.gz GPKYTBHWZCOHSB-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878088134 1137701770 /nfs/dbraw/zinc/70/17/70/1137701770.db2.gz HFBXLCUSOOEFQB-GFCCVEGCSA-N 1 2 347.322 3.995 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878088134 1137701771 /nfs/dbraw/zinc/70/17/71/1137701771.db2.gz HFBXLCUSOOEFQB-GFCCVEGCSA-N 1 2 347.322 3.995 20 0 EHADLO Cc1conc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000878185836 1137706299 /nfs/dbraw/zinc/70/62/99/1137706299.db2.gz LVCPCTVECYZAGB-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1conc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000878185836 1137706300 /nfs/dbraw/zinc/70/63/00/1137706300.db2.gz LVCPCTVECYZAGB-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC000878368628 1137713039 /nfs/dbraw/zinc/71/30/39/1137713039.db2.gz LWZARBXBAMTGIP-QVKFZJNVSA-N 1 2 343.279 3.598 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CC(C)(C)CC(F)F)n1 ZINC000878378479 1137713525 /nfs/dbraw/zinc/71/35/25/1137713525.db2.gz KDQOIGBFJRVYKF-UHFFFAOYSA-N 1 2 333.448 3.995 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391296 1137714023 /nfs/dbraw/zinc/71/40/23/1137714023.db2.gz CYRLYEPNTLJCDL-MNOVXSKESA-N 1 2 341.333 3.605 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391296 1137714024 /nfs/dbraw/zinc/71/40/24/1137714024.db2.gz CYRLYEPNTLJCDL-MNOVXSKESA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391298 1137714113 /nfs/dbraw/zinc/71/41/13/1137714113.db2.gz CYRLYEPNTLJCDL-WDEREUQCSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391298 1137714114 /nfs/dbraw/zinc/71/41/14/1137714114.db2.gz CYRLYEPNTLJCDL-WDEREUQCSA-N 1 2 341.333 3.605 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)[C@@H]2CCc3ccccc32)nc1-c1ccco1 ZINC000022758621 1137718708 /nfs/dbraw/zinc/71/87/08/1137718708.db2.gz JEMOOWAFWLNZGJ-OAHLLOKOSA-N 1 2 340.452 3.788 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)[C@@H]2CCc3ccccc32)nc1-c1ccco1 ZINC000022758621 1137718709 /nfs/dbraw/zinc/71/87/09/1137718709.db2.gz JEMOOWAFWLNZGJ-OAHLLOKOSA-N 1 2 340.452 3.788 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CC[C@](F)(c4ccccc4)C3)o2)c1 ZINC000878565804 1137720601 /nfs/dbraw/zinc/72/06/01/1137720601.db2.gz UXPLYRMNIXXONN-LJQANCHMSA-N 1 2 339.370 3.513 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CC[C@](F)(c4ccccc4)C3)o2)c1 ZINC000878565804 1137720602 /nfs/dbraw/zinc/72/06/02/1137720602.db2.gz UXPLYRMNIXXONN-LJQANCHMSA-N 1 2 339.370 3.513 20 0 EHADLO Clc1ncsc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000878635856 1137723239 /nfs/dbraw/zinc/72/32/39/1137723239.db2.gz RVPNICZIMHEBFN-UHFFFAOYSA-N 1 2 344.267 3.888 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000878658536 1137724050 /nfs/dbraw/zinc/72/40/50/1137724050.db2.gz YWMGAUSIKPAUIU-ZBFHGGJFSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000878658536 1137724051 /nfs/dbraw/zinc/72/40/51/1137724051.db2.gz YWMGAUSIKPAUIU-ZBFHGGJFSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000878658533 1137724076 /nfs/dbraw/zinc/72/40/76/1137724076.db2.gz YWMGAUSIKPAUIU-GDBMZVCRSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000878658533 1137724077 /nfs/dbraw/zinc/72/40/77/1137724077.db2.gz YWMGAUSIKPAUIU-GDBMZVCRSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ncccc2Br)CC2CC2)cn1 ZINC000878761170 1137727419 /nfs/dbraw/zinc/72/74/19/1137727419.db2.gz HNQZYSSKYGYBTR-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ncccc2Br)CC2CC2)cn1 ZINC000878761170 1137727420 /nfs/dbraw/zinc/72/74/20/1137727420.db2.gz HNQZYSSKYGYBTR-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO CC[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1F ZINC000878805374 1137728710 /nfs/dbraw/zinc/72/87/10/1137728710.db2.gz KTQWYMAIGDSPJX-HNNXBMFYSA-N 1 2 330.432 3.924 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000878803738 1137728749 /nfs/dbraw/zinc/72/87/49/1137728749.db2.gz GCEKQVHNSVKXHH-LSDHHAIUSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000878803738 1137728750 /nfs/dbraw/zinc/72/87/50/1137728750.db2.gz GCEKQVHNSVKXHH-LSDHHAIUSA-N 1 2 338.879 3.865 20 0 EHADLO CN(C)c1cc(CSCc2nc(-c3ccc(F)cc3)no2)cc[nH+]1 ZINC000127372457 1137730184 /nfs/dbraw/zinc/73/01/84/1137730184.db2.gz DUEJTKNEAVFFPL-UHFFFAOYSA-N 1 2 344.415 3.770 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001137139514 1137734594 /nfs/dbraw/zinc/73/45/94/1137734594.db2.gz DUJNXMXXQHIOQQ-FQEVSTJZSA-N 1 2 325.452 3.917 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001137139514 1137734595 /nfs/dbraw/zinc/73/45/95/1137734595.db2.gz DUJNXMXXQHIOQQ-FQEVSTJZSA-N 1 2 325.452 3.917 20 0 EHADLO CC1(C)C[C@@]1([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1 ZINC000879007810 1137735136 /nfs/dbraw/zinc/73/51/36/1137735136.db2.gz IHCCHAXBJJZBMK-HXUWFJFHSA-N 1 2 335.407 3.857 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](C[C@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629358 1137752809 /nfs/dbraw/zinc/75/28/09/1137752809.db2.gz MQSXYOFVLOVXNG-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](C[C@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629358 1137752810 /nfs/dbraw/zinc/75/28/10/1137752810.db2.gz MQSXYOFVLOVXNG-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999650 1137764186 /nfs/dbraw/zinc/76/41/86/1137764186.db2.gz GXAPNYGPGYETAN-HZMBPMFUSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999650 1137764187 /nfs/dbraw/zinc/76/41/87/1137764187.db2.gz GXAPNYGPGYETAN-HZMBPMFUSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001483 1137764341 /nfs/dbraw/zinc/76/43/41/1137764341.db2.gz VVRXPUYJAJFYKF-XPTSAGLGSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001483 1137764342 /nfs/dbraw/zinc/76/43/42/1137764342.db2.gz VVRXPUYJAJFYKF-XPTSAGLGSA-N 1 2 336.304 3.566 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000880009047 1137764953 /nfs/dbraw/zinc/76/49/53/1137764953.db2.gz JFODOLJBOOLWEB-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000880009047 1137764954 /nfs/dbraw/zinc/76/49/54/1137764954.db2.gz JFODOLJBOOLWEB-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H](C(F)(F)F)O1 ZINC000880055717 1137766837 /nfs/dbraw/zinc/76/68/37/1137766837.db2.gz DPJCHUIXRSAQKK-ZWNOBZJWSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@H](C(F)(F)F)O1 ZINC000880055717 1137766838 /nfs/dbraw/zinc/76/68/38/1137766838.db2.gz DPJCHUIXRSAQKK-ZWNOBZJWSA-N 1 2 330.375 3.838 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@@H](CF)C2)nc2cc(C(F)(F)F)ccc21 ZINC000880232915 1137771575 /nfs/dbraw/zinc/77/15/75/1137771575.db2.gz GTVJTSDPPBVPBM-JTQLQIEISA-N 1 2 343.324 3.536 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@@H](CF)C2)nc2cc(C(F)(F)F)ccc21 ZINC000880232915 1137771576 /nfs/dbraw/zinc/77/15/76/1137771576.db2.gz GTVJTSDPPBVPBM-JTQLQIEISA-N 1 2 343.324 3.536 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@@H](CF)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000880293563 1137773901 /nfs/dbraw/zinc/77/39/01/1137773901.db2.gz AXWYXYPHZOCONK-LBPRGKRZSA-N 1 2 343.427 3.855 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@@H](CF)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000880293563 1137773902 /nfs/dbraw/zinc/77/39/02/1137773902.db2.gz AXWYXYPHZOCONK-LBPRGKRZSA-N 1 2 343.427 3.855 20 0 EHADLO COCc1nc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)cs1 ZINC000880387693 1137777542 /nfs/dbraw/zinc/77/75/42/1137777542.db2.gz LVKRWNHLDOMRPL-INIZCTEOSA-N 1 2 334.510 3.970 20 0 EHADLO COCc1nc(C[N@H+]2CCCSC[C@H]2c2ccccc2)cs1 ZINC000880387693 1137777543 /nfs/dbraw/zinc/77/75/43/1137777543.db2.gz LVKRWNHLDOMRPL-INIZCTEOSA-N 1 2 334.510 3.970 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)cs2)Cc2ncn(CC3CC3)c21 ZINC001137154847 1137779842 /nfs/dbraw/zinc/77/98/42/1137779842.db2.gz VXLQZMJVCNJXCR-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)cs2)Cc2ncn(CC3CC3)c21 ZINC001137154847 1137779843 /nfs/dbraw/zinc/77/98/43/1137779843.db2.gz VXLQZMJVCNJXCR-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO O=S(=O)(CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12)Cc1ccccc1 ZINC000880535801 1137780797 /nfs/dbraw/zinc/78/07/97/1137780797.db2.gz GUSLCRXJBDKZCR-PXNSSMCTSA-N 1 2 341.476 3.536 20 0 EHADLO O=S(=O)(CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12)Cc1ccccc1 ZINC000880535801 1137780798 /nfs/dbraw/zinc/78/07/98/1137780798.db2.gz GUSLCRXJBDKZCR-PXNSSMCTSA-N 1 2 341.476 3.536 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000880863974 1137792165 /nfs/dbraw/zinc/79/21/65/1137792165.db2.gz DLMWPQDKQHMSTP-OAHLLOKOSA-N 1 2 340.427 3.638 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cscc1Cl ZINC000880978660 1137796297 /nfs/dbraw/zinc/79/62/97/1137796297.db2.gz KWVOMQUWVSQQQH-GFCCVEGCSA-N 1 2 326.853 3.834 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162704 1137799228 /nfs/dbraw/zinc/79/92/28/1137799228.db2.gz CIQNEEIMNXYAAC-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162704 1137799229 /nfs/dbraw/zinc/79/92/29/1137799229.db2.gz CIQNEEIMNXYAAC-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2(C)C)cc1 ZINC000881658710 1137812952 /nfs/dbraw/zinc/81/29/52/1137812952.db2.gz HSBMJXUZJXYUSK-ZWKOTPCHSA-N 1 2 337.467 3.549 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137169742 1137817787 /nfs/dbraw/zinc/81/77/87/1137817787.db2.gz QXTKNBAIEWDNBW-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137169742 1137817788 /nfs/dbraw/zinc/81/77/88/1137817788.db2.gz QXTKNBAIEWDNBW-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1c2sccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000882186580 1137823315 /nfs/dbraw/zinc/82/33/15/1137823315.db2.gz FRHGEBDWSDZDNP-CQSZACIVSA-N 1 2 337.448 3.752 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871607 1137836171 /nfs/dbraw/zinc/83/61/71/1137836171.db2.gz KJEQLIYSFPTOSQ-PWRODBHTSA-N 1 2 345.446 3.853 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC000882871554 1137836218 /nfs/dbraw/zinc/83/62/18/1137836218.db2.gz JMCGXQUZTKJZKH-HZPDHXFCSA-N 1 2 333.382 3.566 20 0 EHADLO O=C(Cc1cccc(C2CC2)c1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871726 1137836222 /nfs/dbraw/zinc/83/62/22/1137836222.db2.gz NCMZUEYQKMTKAW-OAQYLSRUSA-N 1 2 345.446 3.861 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872526 1137836374 /nfs/dbraw/zinc/83/63/74/1137836374.db2.gz HCKOFXHYDQTECB-APWZRJJASA-N 1 2 341.455 3.526 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCCC[C@@H](C2CCOCC2)C1)n1cc[nH+]c1 ZINC000882917207 1137838474 /nfs/dbraw/zinc/83/84/74/1137838474.db2.gz GWHYWUHHSBTXQK-RTBURBONSA-N 1 2 347.503 3.526 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000130800555 1137842222 /nfs/dbraw/zinc/84/22/22/1137842222.db2.gz ULODGNVTGKMXQQ-HXUWFJFHSA-N 1 2 347.462 3.841 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000130800555 1137842223 /nfs/dbraw/zinc/84/22/23/1137842223.db2.gz ULODGNVTGKMXQQ-HXUWFJFHSA-N 1 2 347.462 3.841 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000130968110 1137844468 /nfs/dbraw/zinc/84/44/68/1137844468.db2.gz YFXVOKDJGOCVEC-OAHLLOKOSA-N 1 2 348.541 3.711 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000130968110 1137844469 /nfs/dbraw/zinc/84/44/69/1137844469.db2.gz YFXVOKDJGOCVEC-OAHLLOKOSA-N 1 2 348.541 3.711 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccnc(-c3ccccn3)n2)cs1 ZINC000883294060 1137853314 /nfs/dbraw/zinc/85/33/14/1137853314.db2.gz OEMPQDLAAQIGMW-CYBMUJFWSA-N 1 2 339.468 3.969 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883381072 1137858304 /nfs/dbraw/zinc/85/83/04/1137858304.db2.gz GASNAKUHCRFCLO-HIFRSBDPSA-N 1 2 327.325 3.554 20 0 EHADLO CCC(CC)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000131911403 1137861371 /nfs/dbraw/zinc/86/13/71/1137861371.db2.gz YXYHDTGOBHEKRV-UHFFFAOYSA-N 1 2 331.504 3.664 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000132099283 1137862940 /nfs/dbraw/zinc/86/29/40/1137862940.db2.gz LIJKIMSKIBXYKP-SFHVURJKSA-N 1 2 326.444 3.592 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC(F)(F)CC1 ZINC000883565892 1137863937 /nfs/dbraw/zinc/86/39/37/1137863937.db2.gz GKYWPXURGKAFRT-INIZCTEOSA-N 1 2 348.397 3.502 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c(C)[nH]1 ZINC000348232457 1137869858 /nfs/dbraw/zinc/86/98/58/1137869858.db2.gz PTYAIUKTZZJUPP-KRWDZBQOSA-N 1 2 344.430 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c(C)[nH]1 ZINC000348232457 1137869859 /nfs/dbraw/zinc/86/98/59/1137869859.db2.gz PTYAIUKTZZJUPP-KRWDZBQOSA-N 1 2 344.430 3.635 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4occc4[nH]3)n2)C1 ZINC000132951785 1137872959 /nfs/dbraw/zinc/87/29/59/1137872959.db2.gz UFPOXEVEXKKXLQ-NSHDSACASA-N 1 2 344.440 3.702 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4occc4[nH]3)n2)C1 ZINC000132951785 1137872960 /nfs/dbraw/zinc/87/29/60/1137872960.db2.gz UFPOXEVEXKKXLQ-NSHDSACASA-N 1 2 344.440 3.702 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103313210 1137875998 /nfs/dbraw/zinc/87/59/98/1137875998.db2.gz HOKVKMVRWZVOJJ-UHFFFAOYSA-N 1 2 340.471 3.516 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)o2)c(C)o1 ZINC000348249146 1137877794 /nfs/dbraw/zinc/87/77/94/1137877794.db2.gz QONJCONBURSBMB-JOYOIKCWSA-N 1 2 329.322 3.719 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)o2)c(C)o1 ZINC000348249146 1137877795 /nfs/dbraw/zinc/87/77/95/1137877795.db2.gz QONJCONBURSBMB-JOYOIKCWSA-N 1 2 329.322 3.719 20 0 EHADLO C=C/C=C/CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000883914868 1137879290 /nfs/dbraw/zinc/87/92/90/1137879290.db2.gz BQPZVMNFRQICRQ-DUFJLWIISA-N 1 2 336.439 3.543 20 0 EHADLO Cc1ccc2c(Nc3cc(S(C)(=O)=O)ccc3C)cccc2[nH+]1 ZINC001212797937 1137888136 /nfs/dbraw/zinc/88/81/36/1137888136.db2.gz TUVHPMOVNIJRFG-UHFFFAOYSA-N 1 2 326.421 3.999 20 0 EHADLO CCn1cc(C[N@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)nn1 ZINC000883999683 1137890172 /nfs/dbraw/zinc/89/01/72/1137890172.db2.gz PEDPSOSFEUXREX-UHFFFAOYSA-N 1 2 326.366 3.727 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)nn1 ZINC000883999683 1137890173 /nfs/dbraw/zinc/89/01/73/1137890173.db2.gz PEDPSOSFEUXREX-UHFFFAOYSA-N 1 2 326.366 3.727 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(-c4ccsc4)no3)CC2)cs1 ZINC000109479987 1137893018 /nfs/dbraw/zinc/89/30/18/1137893018.db2.gz KADQCTBIPCMTPX-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000348282620 1137893625 /nfs/dbraw/zinc/89/36/25/1137893625.db2.gz TXSZWOVSHRODRS-SNVBAGLBSA-N 1 2 331.363 3.806 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000111540746 1137904935 /nfs/dbraw/zinc/90/49/35/1137904935.db2.gz MIEBNKAPCYWNBG-CQSZACIVSA-N 1 2 347.509 3.640 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000111540746 1137904936 /nfs/dbraw/zinc/90/49/36/1137904936.db2.gz MIEBNKAPCYWNBG-CQSZACIVSA-N 1 2 347.509 3.640 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000331669672 1137916604 /nfs/dbraw/zinc/91/66/04/1137916604.db2.gz ZXJIMZWIIUREJX-AEFFLSMTSA-N 1 2 325.412 3.659 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000114779972 1137918929 /nfs/dbraw/zinc/91/89/29/1137918929.db2.gz RHGAKMFPYYKUDR-AWEZNQCLSA-N 1 2 344.846 3.646 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114805095 1137919081 /nfs/dbraw/zinc/91/90/81/1137919081.db2.gz JOJMCFZANCCDCM-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880510 1137924311 /nfs/dbraw/zinc/92/43/11/1137924311.db2.gz UZUFCQRICGQBSY-WCBMZHEXSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880510 1137924312 /nfs/dbraw/zinc/92/43/12/1137924312.db2.gz UZUFCQRICGQBSY-WCBMZHEXSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c(C)o1 ZINC000332081213 1137931022 /nfs/dbraw/zinc/93/10/22/1137931022.db2.gz LMAQLQJBWGPEAK-LLVKDONJSA-N 1 2 329.322 3.721 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c(C)o1 ZINC000332081213 1137931023 /nfs/dbraw/zinc/93/10/23/1137931023.db2.gz LMAQLQJBWGPEAK-LLVKDONJSA-N 1 2 329.322 3.721 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000332224755 1137936423 /nfs/dbraw/zinc/93/64/23/1137936423.db2.gz WWPNJSMSWZSLLF-MLGOLLRUSA-N 1 2 348.397 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cn2cccnc2n1 ZINC000120972067 1137954036 /nfs/dbraw/zinc/95/40/36/1137954036.db2.gz BHYAXBADILUJGR-CYBMUJFWSA-N 1 2 329.473 3.811 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cn2cccnc2n1 ZINC000120972067 1137954037 /nfs/dbraw/zinc/95/40/37/1137954037.db2.gz BHYAXBADILUJGR-CYBMUJFWSA-N 1 2 329.473 3.811 20 0 EHADLO c1cn(Cc2ccccc2)c(C[NH+]2CCC(OC3CCCC3)CC2)n1 ZINC000121130263 1137955415 /nfs/dbraw/zinc/95/54/15/1137955415.db2.gz QNNIUOUTLZSDBN-UHFFFAOYSA-N 1 2 339.483 3.855 20 0 EHADLO Cc1cc(N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)nc(C)[nH+]1 ZINC000333114277 1137955726 /nfs/dbraw/zinc/95/57/26/1137955726.db2.gz YHZAAYGRAYGYKK-MRXNPFEDSA-N 1 2 340.475 3.643 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885226939 1137989341 /nfs/dbraw/zinc/98/93/41/1137989341.db2.gz HOHCETBNECNRBY-WOJBJXKFSA-N 1 2 335.451 3.582 20 0 EHADLO CC1CCN(c2ccc(F)cc2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000885635232 1138013489 /nfs/dbraw/zinc/01/34/89/1138013489.db2.gz ANFIANQIGYMKDJ-HUUCEWRRSA-N 1 2 342.418 3.527 20 0 EHADLO CC1CCN(c2ccc(F)cc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000885635232 1138013491 /nfs/dbraw/zinc/01/34/91/1138013491.db2.gz ANFIANQIGYMKDJ-HUUCEWRRSA-N 1 2 342.418 3.527 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886272110 1138063277 /nfs/dbraw/zinc/06/32/77/1138063277.db2.gz HGIZUBFKCOHZQK-UHFFFAOYSA-N 1 2 342.830 3.989 20 0 EHADLO Cc1cc(C)c2cc(NCc3c4c(nn3C)CCSC4)ccc2[nH+]1 ZINC000886369665 1138071665 /nfs/dbraw/zinc/07/16/65/1138071665.db2.gz LUNBRRPJEIKABS-UHFFFAOYSA-N 1 2 338.480 3.987 20 0 EHADLO COc1cc([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c(F)cn1 ZINC000348382953 1138071790 /nfs/dbraw/zinc/07/17/90/1138071790.db2.gz IBCVBGPHJTYCEN-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000067441592 1138080958 /nfs/dbraw/zinc/08/09/58/1138080958.db2.gz MWENWSUUQVCBLT-KGLIPLIRSA-N 1 2 337.423 3.652 20 0 EHADLO Cc1ccccc1Nc1nc(C[NH+]2CCC3(CC2)OCCO3)cs1 ZINC000068804708 1138085999 /nfs/dbraw/zinc/08/59/99/1138085999.db2.gz MCLYKHZOUIYMOF-UHFFFAOYSA-N 1 2 345.468 3.534 20 0 EHADLO COc1cc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c(F)cn1 ZINC000348387007 1138086644 /nfs/dbraw/zinc/08/66/44/1138086644.db2.gz XYTHBXIVTPMGEG-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nc(C4CCC4)no3)C2)n1 ZINC000886690352 1138115893 /nfs/dbraw/zinc/11/58/93/1138115893.db2.gz UTWBGIJMRLHJMV-ZDUSSCGKSA-N 1 2 332.473 3.557 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nc(C4CCC4)no3)C2)n1 ZINC000886690352 1138115894 /nfs/dbraw/zinc/11/58/94/1138115894.db2.gz UTWBGIJMRLHJMV-ZDUSSCGKSA-N 1 2 332.473 3.557 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000886712966 1138123109 /nfs/dbraw/zinc/12/31/09/1138123109.db2.gz QIKFGALOXBBZJY-ZDUSSCGKSA-N 1 2 341.386 3.659 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@@H](c2ccccc2C)C2CCCC2)n1 ZINC000886757506 1138132929 /nfs/dbraw/zinc/13/29/29/1138132929.db2.gz IZQKROUVSMIVAI-GOSISDBHSA-N 1 2 330.501 3.997 20 0 EHADLO CSCc1nnc(C[NH2+][C@@H](c2ccccc2C)C2CCCC2)[nH]1 ZINC000886757506 1138132931 /nfs/dbraw/zinc/13/29/31/1138132931.db2.gz IZQKROUVSMIVAI-GOSISDBHSA-N 1 2 330.501 3.997 20 0 EHADLO COc1cccc(OC)c1OC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000076720385 1138134055 /nfs/dbraw/zinc/13/40/55/1138134055.db2.gz KXROZNSWITWDTN-UHFFFAOYSA-N 1 2 348.468 3.512 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000138948671 1138139980 /nfs/dbraw/zinc/13/99/80/1138139980.db2.gz AUZIKQBWQFQHKH-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000138948671 1138139981 /nfs/dbraw/zinc/13/99/81/1138139981.db2.gz AUZIKQBWQFQHKH-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2nc(C3CC3)no2)cc1OC ZINC000079303307 1138155099 /nfs/dbraw/zinc/15/50/99/1138155099.db2.gz RLRDGXNDIZYJJF-NWDGAFQWSA-N 1 2 331.416 3.684 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1c(C(C)C)nc2ccccn21)n1cc[nH+]c1 ZINC000887076213 1138200021 /nfs/dbraw/zinc/20/00/21/1138200021.db2.gz APEJBZNXLZZGSH-OAHLLOKOSA-N 1 2 339.443 3.880 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090560931 1138212050 /nfs/dbraw/zinc/21/20/50/1138212050.db2.gz NWPJPXHPDJXYSU-CYBMUJFWSA-N 1 2 348.830 3.895 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090560931 1138212052 /nfs/dbraw/zinc/21/20/52/1138212052.db2.gz NWPJPXHPDJXYSU-CYBMUJFWSA-N 1 2 348.830 3.895 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000091513521 1138219799 /nfs/dbraw/zinc/21/97/99/1138219799.db2.gz ZMNVWMZEEFSBDW-GFCCVEGCSA-N 1 2 341.484 3.868 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000091513521 1138219800 /nfs/dbraw/zinc/21/98/00/1138219800.db2.gz ZMNVWMZEEFSBDW-GFCCVEGCSA-N 1 2 341.484 3.868 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000091836055 1138222265 /nfs/dbraw/zinc/22/22/65/1138222265.db2.gz MJJDKJLXFIPEIT-UHFFFAOYSA-N 1 2 343.324 3.916 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856392 1138222579 /nfs/dbraw/zinc/22/25/79/1138222579.db2.gz XGVNRHWXMGLEBZ-UONOGXRCSA-N 1 2 335.366 3.551 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856392 1138222577 /nfs/dbraw/zinc/22/25/77/1138222577.db2.gz XGVNRHWXMGLEBZ-UONOGXRCSA-N 1 2 335.366 3.551 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N(C)c3nccs3)CC2)c1 ZINC000092428671 1138227979 /nfs/dbraw/zinc/22/79/79/1138227979.db2.gz JFBSEOVYGGXAQW-UHFFFAOYSA-N 1 2 341.480 3.512 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N(C)c3nccs3)CC2)c1 ZINC000092428671 1138227982 /nfs/dbraw/zinc/22/79/82/1138227982.db2.gz JFBSEOVYGGXAQW-UHFFFAOYSA-N 1 2 341.480 3.512 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093821514 1138241815 /nfs/dbraw/zinc/24/18/15/1138241815.db2.gz RIZYULOEQLZBIT-ZDUSSCGKSA-N 1 2 348.516 3.798 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093821514 1138241816 /nfs/dbraw/zinc/24/18/16/1138241816.db2.gz RIZYULOEQLZBIT-ZDUSSCGKSA-N 1 2 348.516 3.798 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3nc(C4CCCCC4)no3)C2)cc1 ZINC000122725800 1138261305 /nfs/dbraw/zinc/26/13/05/1138261305.db2.gz ZEHPQLRJNYZPLO-KRWDZBQOSA-N 1 2 327.428 3.691 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3nc(C4CCCCC4)no3)C2)cc1 ZINC000122725800 1138261307 /nfs/dbraw/zinc/26/13/07/1138261307.db2.gz ZEHPQLRJNYZPLO-KRWDZBQOSA-N 1 2 327.428 3.691 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000123310697 1138268933 /nfs/dbraw/zinc/26/89/33/1138268933.db2.gz ILORAZMSJYYBRG-IFXJQAMLSA-N 1 2 336.439 3.705 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000123311254 1138268942 /nfs/dbraw/zinc/26/89/42/1138268942.db2.gz FLJBBRQMYQVLLX-HBUWYVDXSA-N 1 2 347.409 3.765 20 0 EHADLO CC(C)(C)[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000333311898 1138276194 /nfs/dbraw/zinc/27/61/94/1138276194.db2.gz NQUQYGINXSXHHJ-GOEBONIOSA-N 1 2 338.455 3.557 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)sc1C ZINC000333446540 1138291091 /nfs/dbraw/zinc/29/10/91/1138291091.db2.gz MUTHEVZBSNTAKP-CYBMUJFWSA-N 1 2 333.505 3.555 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)sc1C ZINC000333446540 1138291092 /nfs/dbraw/zinc/29/10/92/1138291092.db2.gz MUTHEVZBSNTAKP-CYBMUJFWSA-N 1 2 333.505 3.555 20 0 EHADLO Cc1c(C[N@H+](Cc2csc(Br)c2)C2CC2)cnn1C ZINC000125269853 1138304729 /nfs/dbraw/zinc/30/47/29/1138304729.db2.gz RHDWYLCSCQOJRM-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO Cc1c(C[N@@H+](Cc2csc(Br)c2)C2CC2)cnn1C ZINC000125269853 1138304732 /nfs/dbraw/zinc/30/47/32/1138304732.db2.gz RHDWYLCSCQOJRM-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126235349 1138326934 /nfs/dbraw/zinc/32/69/34/1138326934.db2.gz IWUSVUAUNFFLRB-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126235349 1138326937 /nfs/dbraw/zinc/32/69/37/1138326937.db2.gz IWUSVUAUNFFLRB-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127109651 1138347101 /nfs/dbraw/zinc/34/71/01/1138347101.db2.gz IPJNMJFXSMXXDC-IRXDYDNUSA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127109651 1138347103 /nfs/dbraw/zinc/34/71/03/1138347103.db2.gz IPJNMJFXSMXXDC-IRXDYDNUSA-N 1 2 349.356 3.671 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000127735005 1138369127 /nfs/dbraw/zinc/36/91/27/1138369127.db2.gz OPUBEBQYEVYENH-GXTWGEPZSA-N 1 2 341.440 3.608 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263932950 1138394217 /nfs/dbraw/zinc/39/42/17/1138394217.db2.gz DBBHNSAOACWTAQ-INIZCTEOSA-N 1 2 329.469 3.683 20 0 EHADLO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263938779 1138395352 /nfs/dbraw/zinc/39/53/52/1138395352.db2.gz IAOJXDUMKKWOOT-ZDUSSCGKSA-N 1 2 339.370 3.829 20 0 EHADLO CCc1cccc(OCC[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000264039867 1138409722 /nfs/dbraw/zinc/40/97/22/1138409722.db2.gz DFAAINARTWDPMS-UHFFFAOYSA-N 1 2 341.377 3.519 20 0 EHADLO CCc1cccc(OCC[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000264039867 1138409724 /nfs/dbraw/zinc/40/97/24/1138409724.db2.gz DFAAINARTWDPMS-UHFFFAOYSA-N 1 2 341.377 3.519 20 0 EHADLO CSCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129704226 1138418068 /nfs/dbraw/zinc/41/80/68/1138418068.db2.gz QEYGEETYGLIEGQ-PBHICJAKSA-N 1 2 344.484 3.861 20 0 EHADLO O=C(CCCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336892467 1138422449 /nfs/dbraw/zinc/42/24/49/1138422449.db2.gz JPVUOTCBMDRTCY-UHFFFAOYSA-N 1 2 337.398 3.651 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264151621 1138429742 /nfs/dbraw/zinc/42/97/42/1138429742.db2.gz MVYHDWWYKJOBKA-QZTJIDSGSA-N 1 2 325.456 3.946 20 0 EHADLO Fc1cccc([C@@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)c1 ZINC000264201422 1138441904 /nfs/dbraw/zinc/44/19/04/1138441904.db2.gz PUSQNYSZHMZTTA-CYBMUJFWSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)c1 ZINC000264201422 1138441906 /nfs/dbraw/zinc/44/19/06/1138441906.db2.gz PUSQNYSZHMZTTA-CYBMUJFWSA-N 1 2 327.325 3.574 20 0 EHADLO CCCCN(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264261365 1138457775 /nfs/dbraw/zinc/45/77/75/1138457775.db2.gz RNXBRADDZRKHGE-MRXNPFEDSA-N 1 2 333.476 3.734 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)o1 ZINC000130750547 1138473665 /nfs/dbraw/zinc/47/36/65/1138473665.db2.gz SEHBDRGFBQNDTL-MRXNPFEDSA-N 1 2 339.395 3.813 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)o1 ZINC000130750547 1138473668 /nfs/dbraw/zinc/47/36/68/1138473668.db2.gz SEHBDRGFBQNDTL-MRXNPFEDSA-N 1 2 339.395 3.813 20 0 EHADLO CCCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000337143187 1138478334 /nfs/dbraw/zinc/47/83/34/1138478334.db2.gz YCIYDKQQXOFDKU-INIZCTEOSA-N 1 2 329.488 3.896 20 0 EHADLO CCOc1ccc([C@H](CC)[NH2+]Cc2nnc(C)s2)cc1OCC ZINC000543739693 1138483855 /nfs/dbraw/zinc/48/38/55/1138483855.db2.gz WNOMNEWJUHBOPA-AWEZNQCLSA-N 1 2 335.473 3.885 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)o1 ZINC000131018569 1138490869 /nfs/dbraw/zinc/49/08/69/1138490869.db2.gz VXFVPDUWGIPKFV-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C)ccc2C)o1 ZINC000131018569 1138490872 /nfs/dbraw/zinc/49/08/72/1138490872.db2.gz VXFVPDUWGIPKFV-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)o1 ZINC000131137022 1138498012 /nfs/dbraw/zinc/49/80/12/1138498012.db2.gz OCYKHJGZEGOAPH-INIZCTEOSA-N 1 2 339.395 3.813 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)o1 ZINC000131137022 1138498014 /nfs/dbraw/zinc/49/80/14/1138498014.db2.gz OCYKHJGZEGOAPH-INIZCTEOSA-N 1 2 339.395 3.813 20 0 EHADLO Cc1[nH+]cc(CNc2cccc3c2ccn(C)c3=O)n1-c1ccccc1 ZINC000337261304 1138512461 /nfs/dbraw/zinc/51/24/61/1138512461.db2.gz QHEDXUUSVJAPIY-UHFFFAOYSA-N 1 2 344.418 3.645 20 0 EHADLO Fc1ccccc1[C@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000337351921 1138541580 /nfs/dbraw/zinc/54/15/80/1138541580.db2.gz XIMFGGBMOYWTMN-HNNXBMFYSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1ccccc1[C@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000337351921 1138541583 /nfs/dbraw/zinc/54/15/83/1138541583.db2.gz XIMFGGBMOYWTMN-HNNXBMFYSA-N 1 2 326.419 3.600 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nn1C ZINC000337457382 1138574623 /nfs/dbraw/zinc/57/46/23/1138574623.db2.gz JMHTUFGXHLNTIK-MRXNPFEDSA-N 1 2 337.471 3.888 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(Cl)cc1 ZINC000337460381 1138575958 /nfs/dbraw/zinc/57/59/58/1138575958.db2.gz ZZJVBGAAIFVOAF-KZULUSFZSA-N 1 2 330.863 3.761 20 0 EHADLO CCSc1ccc(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000337476826 1138580549 /nfs/dbraw/zinc/58/05/49/1138580549.db2.gz YXAGFCNGCNSWLB-UHFFFAOYSA-N 1 2 325.437 3.936 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccc2ccccc2c1 ZINC000337586995 1138614410 /nfs/dbraw/zinc/61/44/10/1138614410.db2.gz LFXXSMVREAUUKK-IERDGZPVSA-N 1 2 345.446 3.511 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337606920 1138619180 /nfs/dbraw/zinc/61/91/80/1138619180.db2.gz VQRRQZWLGSGAMP-GRERDSQWSA-N 1 2 349.478 3.529 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccc2ccccc2c1 ZINC000337615367 1138621790 /nfs/dbraw/zinc/62/17/90/1138621790.db2.gz DIVQINFEPCDESV-IERDGZPVSA-N 1 2 345.446 3.511 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000337684961 1138642978 /nfs/dbraw/zinc/64/29/78/1138642978.db2.gz PJFXJYUTQAXUFB-OXQOHEQNSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000337684961 1138642980 /nfs/dbraw/zinc/64/29/80/1138642980.db2.gz PJFXJYUTQAXUFB-OXQOHEQNSA-N 1 2 338.451 3.568 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000264861876 1138660420 /nfs/dbraw/zinc/66/04/20/1138660420.db2.gz FTRCACQIORPEAB-INIZCTEOSA-N 1 2 345.487 3.734 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000264900983 1138671452 /nfs/dbraw/zinc/67/14/52/1138671452.db2.gz RINYCZPZWVKRNQ-IBGZPJMESA-N 1 2 338.455 3.689 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000337808398 1138673213 /nfs/dbraw/zinc/67/32/13/1138673213.db2.gz LIBYJFCELRYTFD-HNNXBMFYSA-N 1 2 328.391 3.546 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000337808398 1138673214 /nfs/dbraw/zinc/67/32/14/1138673214.db2.gz LIBYJFCELRYTFD-HNNXBMFYSA-N 1 2 328.391 3.546 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCn1c2ccccc2c2ccccc21 ZINC000337888506 1138691706 /nfs/dbraw/zinc/69/17/06/1138691706.db2.gz ZMXRQNWSMWCORY-UHFFFAOYSA-N 1 2 342.406 3.583 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nccs4)CC3)c2c1 ZINC000135174087 1138731549 /nfs/dbraw/zinc/73/15/49/1138731549.db2.gz VQFIMAPXAWCZCV-UHFFFAOYSA-N 1 2 325.437 3.922 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nccs4)CC3)c2c1 ZINC000135174087 1138731555 /nfs/dbraw/zinc/73/15/55/1138731555.db2.gz VQFIMAPXAWCZCV-UHFFFAOYSA-N 1 2 325.437 3.922 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)o1 ZINC000265129346 1138739002 /nfs/dbraw/zinc/73/90/02/1138739002.db2.gz GMFNJQFKNYRGKR-UHFFFAOYSA-N 1 2 344.194 3.671 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cc3ccccn3c2)c1)[NH+]1CCOCC1 ZINC000265143726 1138743849 /nfs/dbraw/zinc/74/38/49/1138743849.db2.gz SOCVHYFPEULRTK-INIZCTEOSA-N 1 2 349.434 3.585 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265281846 1138794493 /nfs/dbraw/zinc/79/44/93/1138794493.db2.gz RQZYRZZZFHLVJT-YJBOKZPZSA-N 1 2 325.456 3.946 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000338258041 1138804262 /nfs/dbraw/zinc/80/42/62/1138804262.db2.gz OXUYZZURRZIHQE-GOSISDBHSA-N 1 2 344.842 3.525 20 0 EHADLO CSc1ccccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338260109 1138805080 /nfs/dbraw/zinc/80/50/80/1138805080.db2.gz FHEOFNQZLJMBDE-INIZCTEOSA-N 1 2 346.883 3.849 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000265385657 1138844944 /nfs/dbraw/zinc/84/49/44/1138844944.db2.gz GNOXCZQVYYSSNO-GHMZBOCLSA-N 1 2 341.242 3.639 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338355031 1138851125 /nfs/dbraw/zinc/85/11/25/1138851125.db2.gz GSDVEYWLXFYAJT-SJORKVTESA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccnc1 ZINC000137715986 1138870274 /nfs/dbraw/zinc/87/02/74/1138870274.db2.gz KWMCOINUNCHVBO-GFCCVEGCSA-N 1 2 337.345 3.559 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccnc1 ZINC000137715986 1138870259 /nfs/dbraw/zinc/87/02/59/1138870259.db2.gz KWMCOINUNCHVBO-GFCCVEGCSA-N 1 2 337.345 3.559 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 ZINC000348486760 1138928977 /nfs/dbraw/zinc/92/89/77/1138928977.db2.gz ALBKIZVPEFVLEF-NXEZZACHSA-N 1 2 341.839 3.922 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)CO1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000887890021 1138969502 /nfs/dbraw/zinc/96/95/02/1138969502.db2.gz UNWKZOYBMCPWEX-QGZVFWFLSA-N 1 2 325.412 3.550 20 0 EHADLO CC(C)(C)c1nc(CNc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000153663060 1139146425 /nfs/dbraw/zinc/14/64/25/1139146425.db2.gz IMRBVCOFPNHDDO-UHFFFAOYSA-N 1 2 345.512 3.885 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CC(F)(F)F)C3CCCC3)ccn12 ZINC000889363602 1139195645 /nfs/dbraw/zinc/19/56/45/1139195645.db2.gz WYLBRNLOLOAUEA-UHFFFAOYSA-N 1 2 325.334 3.590 20 0 EHADLO CC1(C)CN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)[C@@H]1C1CC1 ZINC000889545960 1139228713 /nfs/dbraw/zinc/22/87/13/1139228713.db2.gz QEZGKIGRTCDDJL-JFIYKMOQSA-N 1 2 342.487 3.635 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@@H]1CCC(F)(F)C1 ZINC000890000109 1139298665 /nfs/dbraw/zinc/29/86/65/1139298665.db2.gz LXBYRYXQWMJEFF-HOCLYGCPSA-N 1 2 347.409 3.873 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC=CCCC1 ZINC000890044374 1139304528 /nfs/dbraw/zinc/30/45/28/1139304528.db2.gz CXRXJHZXMOIGEM-UONOGXRCSA-N 1 2 329.366 3.629 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000826683042 1139315340 /nfs/dbraw/zinc/31/53/40/1139315340.db2.gz SLXNYOUQAPJELX-OAHLLOKOSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000826683042 1139315350 /nfs/dbraw/zinc/31/53/50/1139315350.db2.gz SLXNYOUQAPJELX-OAHLLOKOSA-N 1 2 334.341 3.680 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000890244923 1139329021 /nfs/dbraw/zinc/32/90/21/1139329021.db2.gz PUXNUNPNZIXMGY-FHWLQOOXSA-N 1 2 338.455 3.599 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cn(-c3ccccc3)nc2C)o1 ZINC000174480459 1139423257 /nfs/dbraw/zinc/42/32/57/1139423257.db2.gz KWIVFLBTIYLDAI-IBGZPJMESA-N 1 2 339.439 3.813 20 0 EHADLO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217531 1139472670 /nfs/dbraw/zinc/47/26/70/1139472670.db2.gz IWRVTNIUVLIBFT-MWDXBVQZSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217531 1139472673 /nfs/dbraw/zinc/47/26/73/1139472673.db2.gz IWRVTNIUVLIBFT-MWDXBVQZSA-N 1 2 345.487 3.558 20 0 EHADLO CCc1cc2c(C[NH2+][C@@H](C)c3ncc(C)s3)cc(=O)oc2cc1O ZINC000175238770 1139474860 /nfs/dbraw/zinc/47/48/60/1139474860.db2.gz XJWBLJDKWYTSBP-NSHDSACASA-N 1 2 344.436 3.677 20 0 EHADLO CCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175735686 1139514979 /nfs/dbraw/zinc/51/49/79/1139514979.db2.gz ADKCORYMNXKADV-GJZGRUSLSA-N 1 2 333.476 3.606 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000177100376 1139597326 /nfs/dbraw/zinc/59/73/26/1139597326.db2.gz BTOYVWWNQAZJEI-KRWDZBQOSA-N 1 2 348.393 3.516 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000177368765 1139616738 /nfs/dbraw/zinc/61/67/38/1139616738.db2.gz VVOXATHDTCGJMU-HNNXBMFYSA-N 1 2 335.883 3.572 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000177368765 1139616740 /nfs/dbraw/zinc/61/67/40/1139616740.db2.gz VVOXATHDTCGJMU-HNNXBMFYSA-N 1 2 335.883 3.572 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000177543613 1139625106 /nfs/dbraw/zinc/62/51/06/1139625106.db2.gz POYYNXMHXBNMEY-KXBFYZLASA-N 1 2 334.423 3.602 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Br)ccc1OC)c1ccco1 ZINC000177574057 1139627353 /nfs/dbraw/zinc/62/73/53/1139627353.db2.gz QWBHCRFJLRGUOF-CYBMUJFWSA-N 1 2 340.217 3.528 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cs1 ZINC000177663008 1139632377 /nfs/dbraw/zinc/63/23/77/1139632377.db2.gz BTSUYWVPYHSUQM-OAHLLOKOSA-N 1 2 345.512 3.951 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177800129 1139642765 /nfs/dbraw/zinc/64/27/65/1139642765.db2.gz MWVZAMIHYOMUFZ-CDVVCGDMSA-N 1 2 349.356 3.606 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)n1C ZINC000178306101 1139685676 /nfs/dbraw/zinc/68/56/76/1139685676.db2.gz FNHAGTJBCMPNON-CYBMUJFWSA-N 1 2 340.402 3.906 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1OC(F)F ZINC000178449525 1139695997 /nfs/dbraw/zinc/69/59/97/1139695997.db2.gz NWPYHFDAUWPJSW-LLVKDONJSA-N 1 2 329.778 3.916 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000178725757 1139714522 /nfs/dbraw/zinc/71/45/22/1139714522.db2.gz ISNVUUZHTCPIIF-NSHDSACASA-N 1 2 336.819 3.709 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000178725757 1139714528 /nfs/dbraw/zinc/71/45/28/1139714528.db2.gz ISNVUUZHTCPIIF-NSHDSACASA-N 1 2 336.819 3.709 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000179381285 1139753712 /nfs/dbraw/zinc/75/37/12/1139753712.db2.gz BDBLXGYZRNITHF-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000179381285 1139753720 /nfs/dbraw/zinc/75/37/20/1139753720.db2.gz BDBLXGYZRNITHF-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)c1 ZINC000179681338 1139774605 /nfs/dbraw/zinc/77/46/05/1139774605.db2.gz KFBXUODNVNXGBB-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO COc1c(Br)cccc1C[N@H+](C)Cc1scnc1C ZINC000179916424 1139792828 /nfs/dbraw/zinc/79/28/28/1139792828.db2.gz BTTBHRYNQMHCCT-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1c(Br)cccc1C[N@@H+](C)Cc1scnc1C ZINC000179916424 1139792832 /nfs/dbraw/zinc/79/28/32/1139792832.db2.gz BTTBHRYNQMHCCT-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COCc1noc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)n1 ZINC000180244102 1139820899 /nfs/dbraw/zinc/82/08/99/1139820899.db2.gz OORZSURONQNMMX-GOSISDBHSA-N 1 2 337.423 3.680 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ncc(C)s2)cc1OC(F)F ZINC000180429987 1139833895 /nfs/dbraw/zinc/83/38/95/1139833895.db2.gz WASYUATWCQNOHE-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ncc(C)s2)cc1OC(F)F ZINC000180429987 1139833902 /nfs/dbraw/zinc/83/39/02/1139833902.db2.gz WASYUATWCQNOHE-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C)o2)cc1 ZINC000181137781 1139887937 /nfs/dbraw/zinc/88/79/37/1139887937.db2.gz UIRPNRQPMYNYCN-GOSISDBHSA-N 1 2 341.386 3.599 20 0 EHADLO c1nc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)nn1-c1ccccc1 ZINC000181217748 1139893823 /nfs/dbraw/zinc/89/38/23/1139893823.db2.gz QQFQMNGEPVCTET-YLJYHZDGSA-N 1 2 348.450 3.525 20 0 EHADLO CCc1nnc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000181585216 1139917138 /nfs/dbraw/zinc/91/71/38/1139917138.db2.gz HPLSQJWFMVDAML-QGZVFWFLSA-N 1 2 343.377 3.984 20 0 EHADLO Clc1cccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000181754456 1139928643 /nfs/dbraw/zinc/92/86/43/1139928643.db2.gz HNXSOOHQVHBUJU-UHFFFAOYSA-N 1 2 328.847 3.923 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc(N2CCCC2)c1 ZINC000181888155 1139938293 /nfs/dbraw/zinc/93/82/93/1139938293.db2.gz OKPOPILTAACMQQ-AWEZNQCLSA-N 1 2 328.460 3.818 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1nccn1C ZINC000182412232 1139970738 /nfs/dbraw/zinc/97/07/38/1139970738.db2.gz NISPZZSGULZPTA-QGZVFWFLSA-N 1 2 340.402 3.987 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1CC(C)C ZINC000183112476 1140014009 /nfs/dbraw/zinc/01/40/09/1140014009.db2.gz FPKSQZZNWVUTCT-QGZVFWFLSA-N 1 2 330.476 3.820 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000183863770 1140062422 /nfs/dbraw/zinc/06/24/22/1140062422.db2.gz QQYWMMLJYGTPNT-OAQYLSRUSA-N 1 2 348.450 3.502 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000184292204 1140093329 /nfs/dbraw/zinc/09/33/29/1140093329.db2.gz LSBHKFZCQOOTPT-HKUYNNGSSA-N 1 2 347.422 3.637 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)C)c1ccco1 ZINC000184512632 1140106929 /nfs/dbraw/zinc/10/69/29/1140106929.db2.gz GYIBKRYCOHXBQB-WMLDXEAASA-N 1 2 330.428 3.707 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000184515691 1140106960 /nfs/dbraw/zinc/10/69/60/1140106960.db2.gz HYPVLZVUMWKUKW-ZDUSSCGKSA-N 1 2 330.211 3.808 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccco1 ZINC000184605993 1140111487 /nfs/dbraw/zinc/11/14/87/1140111487.db2.gz LVRHWGCYBPQWRE-GFCCVEGCSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1Cl)c1ccc(C)o1 ZINC000184651745 1140113660 /nfs/dbraw/zinc/11/36/60/1140113660.db2.gz PWRWYOQSQZOKKG-OAHLLOKOSA-N 1 2 337.803 3.505 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cs1 ZINC000184675270 1140114187 /nfs/dbraw/zinc/11/41/87/1140114187.db2.gz YVMOEDKMVKCWBT-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccccc2OC(F)F)o1 ZINC000184778736 1140120183 /nfs/dbraw/zinc/12/01/83/1140120183.db2.gz OTSQONBBUJGKLE-CQSZACIVSA-N 1 2 325.355 3.921 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)o1 ZINC000184795177 1140120408 /nfs/dbraw/zinc/12/04/08/1140120408.db2.gz NOIFIVLKWNCZRB-QGZVFWFLSA-N 1 2 344.455 3.683 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)o1 ZINC000184839615 1140122321 /nfs/dbraw/zinc/12/23/21/1140122321.db2.gz PIHJGBHIPCNGKA-WBVHZDCISA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)o1 ZINC000184859232 1140123152 /nfs/dbraw/zinc/12/31/52/1140123152.db2.gz RHMQHDVEVRKJGK-QAPCUYQASA-N 1 2 344.455 3.763 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862924 1140123447 /nfs/dbraw/zinc/12/34/47/1140123447.db2.gz RXNVYYUURACCGM-HUUCEWRRSA-N 1 2 329.444 3.687 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)s1 ZINC000184981966 1140128895 /nfs/dbraw/zinc/12/88/95/1140128895.db2.gz JJHXTLVZPDMVRI-VXGBXAGGSA-N 1 2 337.876 3.633 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669938 1140162234 /nfs/dbraw/zinc/16/22/34/1140162234.db2.gz UITUOAGNHQAILX-UKRRQHHQSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669938 1140162236 /nfs/dbraw/zinc/16/22/36/1140162236.db2.gz UITUOAGNHQAILX-UKRRQHHQSA-N 1 2 344.484 3.719 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccccc1N(C)C ZINC000186803322 1140222463 /nfs/dbraw/zinc/22/24/63/1140222463.db2.gz QTISVNXCBGSBKR-CQSZACIVSA-N 1 2 331.460 3.907 20 0 EHADLO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186832022 1140224321 /nfs/dbraw/zinc/22/43/21/1140224321.db2.gz NKFVOFJXEAKSQB-CYBMUJFWSA-N 1 2 345.443 3.799 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186951863 1140229960 /nfs/dbraw/zinc/22/99/60/1140229960.db2.gz AYIKMSVQXHFEJM-ZDUSSCGKSA-N 1 2 339.464 3.925 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000189132660 1140322855 /nfs/dbraw/zinc/32/28/55/1140322855.db2.gz DKKMOCYYZDPVJQ-PZPSRYQVSA-N 1 2 331.847 3.520 20 0 EHADLO OCC1CCN(c2ccc(NCc3ccc(Cl)cc3F)[nH+]c2)CC1 ZINC000189387224 1140340881 /nfs/dbraw/zinc/34/08/81/1140340881.db2.gz JRTMNBBRHOHGHL-UHFFFAOYSA-N 1 2 349.837 3.695 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000190399432 1140401836 /nfs/dbraw/zinc/40/18/36/1140401836.db2.gz KRQPLYXVOVJDRL-CYBMUJFWSA-N 1 2 333.444 3.563 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000190399432 1140401841 /nfs/dbraw/zinc/40/18/41/1140401841.db2.gz KRQPLYXVOVJDRL-CYBMUJFWSA-N 1 2 333.444 3.563 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CCc4cc(Cl)ccc4C3)on2)cnn1C ZINC000192244532 1140514336 /nfs/dbraw/zinc/51/43/36/1140514336.db2.gz LASAGZSMRGRGSZ-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CCc4cc(Cl)ccc4C3)on2)cnn1C ZINC000192244532 1140514340 /nfs/dbraw/zinc/51/43/40/1140514340.db2.gz LASAGZSMRGRGSZ-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000192253348 1140515629 /nfs/dbraw/zinc/51/56/29/1140515629.db2.gz NEDVVPVOHMRPEY-INIZCTEOSA-N 1 2 328.460 3.628 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C(\C)c1cccc(F)c1 ZINC000192261085 1140516907 /nfs/dbraw/zinc/51/69/07/1140516907.db2.gz OGFWEMVBWUSUOD-JQIJEIRASA-N 1 2 343.446 3.927 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)c1ccccc1OC(F)F ZINC000192726413 1140546446 /nfs/dbraw/zinc/54/64/46/1140546446.db2.gz PSYFPQDGFWVBGI-DGCLKSJQSA-N 1 2 337.370 3.894 20 0 EHADLO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000193240155 1140567107 /nfs/dbraw/zinc/56/71/07/1140567107.db2.gz YBQYTWSUUZORTD-GFCCVEGCSA-N 1 2 349.418 3.666 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194163349 1140600131 /nfs/dbraw/zinc/60/01/31/1140600131.db2.gz NNMKXYGWRZEBON-YGWPLHOASA-N 1 2 342.483 3.671 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)c3cnn(C)c3)cs2)cc1 ZINC000266170417 1140650704 /nfs/dbraw/zinc/65/07/04/1140650704.db2.gz QYEPFJJUXVKTRE-AWEZNQCLSA-N 1 2 342.468 3.615 20 0 EHADLO CC(C)c1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)no1 ZINC000266416245 1140683459 /nfs/dbraw/zinc/68/34/59/1140683459.db2.gz SSXVSLQUPXISLB-UHFFFAOYSA-N 1 2 343.431 3.505 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cs1 ZINC000267041640 1140753117 /nfs/dbraw/zinc/75/31/17/1140753117.db2.gz ZEOBOELYEKUPAC-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cs1 ZINC000267041640 1140753123 /nfs/dbraw/zinc/75/31/23/1140753123.db2.gz ZEOBOELYEKUPAC-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO CC(C)COc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267429881 1140790397 /nfs/dbraw/zinc/79/03/97/1140790397.db2.gz GIGZFDAXPNAREC-UHFFFAOYSA-N 1 2 342.443 3.856 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267475495 1140796271 /nfs/dbraw/zinc/79/62/71/1140796271.db2.gz QQYIAZXTSZFVQT-UHFFFAOYSA-N 1 2 340.427 3.610 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cs1 ZINC000267666582 1140817703 /nfs/dbraw/zinc/81/77/03/1140817703.db2.gz YDPQOVNFUPTNIM-LLVKDONJSA-N 1 2 346.431 3.670 20 0 EHADLO CC[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000267693376 1140821416 /nfs/dbraw/zinc/82/14/16/1140821416.db2.gz FAOOVDGAHSNCPJ-DOMZBBRYSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000267886576 1140847642 /nfs/dbraw/zinc/84/76/42/1140847642.db2.gz RFHSWUVQRSVFJV-UHFFFAOYSA-N 1 2 331.847 3.890 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000268286225 1140914551 /nfs/dbraw/zinc/91/45/51/1140914551.db2.gz QMNHYAOACHFCAD-VHDGCEQUSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000268286225 1140914556 /nfs/dbraw/zinc/91/45/56/1140914556.db2.gz QMNHYAOACHFCAD-VHDGCEQUSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000268286221 1140914727 /nfs/dbraw/zinc/91/47/27/1140914727.db2.gz QMNHYAOACHFCAD-BPLDGKMQSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000268286221 1140914733 /nfs/dbraw/zinc/91/47/33/1140914733.db2.gz QMNHYAOACHFCAD-BPLDGKMQSA-N 1 2 336.457 3.532 20 0 EHADLO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cncc(F)c1 ZINC000268805400 1140995948 /nfs/dbraw/zinc/99/59/48/1140995948.db2.gz CIPWRJJVVXSEAP-AWEZNQCLSA-N 1 2 336.414 3.746 20 0 EHADLO CCCCCOc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000269010425 1141045681 /nfs/dbraw/zinc/04/56/81/1141045681.db2.gz ZLIYAIAYWREAGT-UHFFFAOYSA-N 1 2 329.444 3.614 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000269408303 1141104906 /nfs/dbraw/zinc/10/49/06/1141104906.db2.gz VASHKCBJWJSKCL-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)cs1 ZINC000269433056 1141108163 /nfs/dbraw/zinc/10/81/63/1141108163.db2.gz QALBMELHCJTCTG-XJKSGUPXSA-N 1 2 332.469 3.778 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000269788592 1141144805 /nfs/dbraw/zinc/14/48/05/1141144805.db2.gz IOTNCNNAXYOSJE-KDOFPFPSSA-N 1 2 338.455 3.657 20 0 EHADLO CC(C)C[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269805312 1141146607 /nfs/dbraw/zinc/14/66/07/1141146607.db2.gz MFEIXBLJSFEGSD-HOTGVXAUSA-N 1 2 333.476 3.636 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000271186485 1141321096 /nfs/dbraw/zinc/32/10/96/1141321096.db2.gz FOVZJWZZLWTASW-UHFFFAOYSA-N 1 2 348.422 3.754 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cs1 ZINC000271418019 1141361897 /nfs/dbraw/zinc/36/18/97/1141361897.db2.gz BNMJTBGYSLATBL-PWSUYJOCSA-N 1 2 338.502 3.612 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271422091 1141362552 /nfs/dbraw/zinc/36/25/52/1141362552.db2.gz ZNPUQGYQHSUHBM-VTEWUSFYSA-N 1 2 327.424 3.507 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271422091 1141362558 /nfs/dbraw/zinc/36/25/58/1141362558.db2.gz ZNPUQGYQHSUHBM-VTEWUSFYSA-N 1 2 327.424 3.507 20 0 EHADLO CC[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000271439521 1141366724 /nfs/dbraw/zinc/36/67/24/1141366724.db2.gz GEFYCFZZFKBQMW-JKSUJKDBSA-N 1 2 349.377 3.510 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1OC(F)F ZINC000271562801 1141398644 /nfs/dbraw/zinc/39/86/44/1141398644.db2.gz XBNRWSHMNFXIHD-NOZJJQNGSA-N 1 2 325.334 3.878 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1OC(F)F ZINC000271562801 1141398650 /nfs/dbraw/zinc/39/86/50/1141398650.db2.gz XBNRWSHMNFXIHD-NOZJJQNGSA-N 1 2 325.334 3.878 20 0 EHADLO Cc1ccn2cc(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)nc2c1 ZINC000271575698 1141401310 /nfs/dbraw/zinc/40/13/10/1141401310.db2.gz QOOVQPSQNWSJNE-ZDUSSCGKSA-N 1 2 326.469 3.829 20 0 EHADLO COC1(c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)CCCC1 ZINC000273877975 1141438127 /nfs/dbraw/zinc/43/81/27/1141438127.db2.gz AGKBRBSGSJBLEH-RMKNXTFCSA-N 1 2 336.395 3.841 20 0 EHADLO c1cn(Cc2cccc(-c3nc([C@H]4CCCCS4)no3)c2)c[nH+]1 ZINC000274108003 1141475616 /nfs/dbraw/zinc/47/56/16/1141475616.db2.gz UBNKJXGEHNEIRF-OAHLLOKOSA-N 1 2 326.425 3.940 20 0 EHADLO Cc1cc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000339138031 1141507228 /nfs/dbraw/zinc/50/72/28/1141507228.db2.gz YMPPBXNZKXMIGV-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCn1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1C ZINC000339238758 1141537476 /nfs/dbraw/zinc/53/74/76/1141537476.db2.gz YHJHXTIFUWAUOT-UHFFFAOYSA-N 1 2 343.818 3.611 20 0 EHADLO NC(=O)C[N@H+](Cc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000339243977 1141538904 /nfs/dbraw/zinc/53/89/04/1141538904.db2.gz SPUJNQMDJTWVRY-UHFFFAOYSA-N 1 2 338.382 3.573 20 0 EHADLO NC(=O)C[N@@H+](Cc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000339243977 1141538908 /nfs/dbraw/zinc/53/89/08/1141538908.db2.gz SPUJNQMDJTWVRY-UHFFFAOYSA-N 1 2 338.382 3.573 20 0 EHADLO Cc1cnccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000274479163 1141541022 /nfs/dbraw/zinc/54/10/22/1141541022.db2.gz XCHSSPLGACGKHB-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000348560969 1141552161 /nfs/dbraw/zinc/55/21/61/1141552161.db2.gz WMFXENVFNMWSOX-SHACYNPGSA-N 1 2 347.484 3.576 20 0 EHADLO CCCc1csc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000348912780 1141608770 /nfs/dbraw/zinc/60/87/70/1141608770.db2.gz TVGLPWGBGQDMSB-UHFFFAOYSA-N 1 2 326.425 3.593 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F ZINC000349036025 1141625711 /nfs/dbraw/zinc/62/57/11/1141625711.db2.gz LPPSCCSCXVORAZ-UHFFFAOYSA-N 1 2 336.382 3.640 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F ZINC000349036025 1141625713 /nfs/dbraw/zinc/62/57/13/1141625713.db2.gz LPPSCCSCXVORAZ-UHFFFAOYSA-N 1 2 336.382 3.640 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1occc1-c1ccccc1 ZINC000349044563 1141627759 /nfs/dbraw/zinc/62/77/59/1141627759.db2.gz YCMGTPDKACJXNW-UHFFFAOYSA-N 1 2 335.407 3.752 20 0 EHADLO Fc1cccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cc21 ZINC000349077905 1141634278 /nfs/dbraw/zinc/63/42/78/1141634278.db2.gz QQSIYHZKKODXAO-CYBMUJFWSA-N 1 2 339.418 3.682 20 0 EHADLO Fc1cccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cc21 ZINC000349077905 1141634282 /nfs/dbraw/zinc/63/42/82/1141634282.db2.gz QQSIYHZKKODXAO-CYBMUJFWSA-N 1 2 339.418 3.682 20 0 EHADLO CCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000076276336 202386895 /nfs/dbraw/zinc/38/68/95/202386895.db2.gz KPZGTBLFGITYRU-UHFFFAOYSA-N 1 2 337.055 3.807 20 0 EHADLO O=C(COc1ccc(Cl)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859942 201104535 /nfs/dbraw/zinc/10/45/35/201104535.db2.gz KMRIKPNKRODWGU-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CC(C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000045965535 201105741 /nfs/dbraw/zinc/10/57/41/201105741.db2.gz JXXMNGFGTOVIFN-UHFFFAOYSA-N 1 2 334.464 3.893 20 0 EHADLO Cc1cc(C)c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(C)[nH+]1 ZINC000097040408 201380059 /nfs/dbraw/zinc/38/00/59/201380059.db2.gz IWOBZYOEMGNZBC-INIZCTEOSA-N 1 2 337.423 3.537 20 0 EHADLO CC(C)C[N@H+](Cc1nnc2n1CCOC2)[C@@H](C)c1ccccc1Cl ZINC000284835441 257935819 /nfs/dbraw/zinc/93/58/19/257935819.db2.gz QRFAZNBCZXNJLT-AWEZNQCLSA-N 1 2 348.878 3.681 20 0 EHADLO CC(C)C[N@@H+](Cc1nnc2n1CCOC2)[C@@H](C)c1ccccc1Cl ZINC000284835441 257935820 /nfs/dbraw/zinc/93/58/20/257935820.db2.gz QRFAZNBCZXNJLT-AWEZNQCLSA-N 1 2 348.878 3.681 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2nc3ccccc3s2)oc1C ZINC000028722955 521834868 /nfs/dbraw/zinc/83/48/68/521834868.db2.gz LRWWRKQOMVUWMP-UHFFFAOYSA-N 1 2 330.409 3.616 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2nc3ccccc3s2)oc1C ZINC000028722955 521834878 /nfs/dbraw/zinc/83/48/78/521834878.db2.gz LRWWRKQOMVUWMP-UHFFFAOYSA-N 1 2 330.409 3.616 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)c1nncn1C ZINC000037017168 525603609 /nfs/dbraw/zinc/60/36/09/525603609.db2.gz NVABXMOAJKCHDK-VHSXEESVSA-N 1 2 349.232 3.736 20 0 EHADLO Clc1cnc(C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)s1 ZINC000583651543 564018318 /nfs/dbraw/zinc/01/83/18/564018318.db2.gz OVPFBSFCKQZYIV-GFCCVEGCSA-N 1 2 330.844 3.729 20 0 EHADLO Clc1cnc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)s1 ZINC000583651543 564018319 /nfs/dbraw/zinc/01/83/19/564018319.db2.gz OVPFBSFCKQZYIV-GFCCVEGCSA-N 1 2 330.844 3.729 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413431 606173362 /nfs/dbraw/zinc/17/33/62/606173362.db2.gz PVONXBZBMUQJTA-RYUDHWBXSA-N 1 2 340.431 3.564 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cccc1-c1nn[nH]n1 ZINC000826371237 608401785 /nfs/dbraw/zinc/40/17/85/608401785.db2.gz XSKSWJYOKMHENO-OAHLLOKOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cccc1-c1nn[nH]n1 ZINC000826371237 608401786 /nfs/dbraw/zinc/40/17/86/608401786.db2.gz XSKSWJYOKMHENO-OAHLLOKOSA-N 1 2 343.793 3.606 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536649792 1032060896 /nfs/dbraw/zinc/06/08/96/1032060896.db2.gz CNXHLDYVMSBQSS-UHFFFAOYSA-N 1 2 328.460 3.802 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000449028587 1032064683 /nfs/dbraw/zinc/06/46/83/1032064683.db2.gz LVJOWEUWOZMUIO-SFHVURJKSA-N 1 2 328.481 3.539 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000449028587 1032064699 /nfs/dbraw/zinc/06/46/99/1032064699.db2.gz LVJOWEUWOZMUIO-SFHVURJKSA-N 1 2 328.481 3.539 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1nc2ccccc2s1 ZINC000163147728 1125472693 /nfs/dbraw/zinc/47/26/93/1125472693.db2.gz KOVWQDMIVLOBEF-UHFFFAOYSA-N 1 2 338.367 3.873 20 0 EHADLO Cn1ccnc1C[N@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000153348120 1125473777 /nfs/dbraw/zinc/47/37/77/1125473777.db2.gz YGQZWVAESWMUQX-UHFFFAOYSA-N 1 2 337.423 3.723 20 0 EHADLO Cn1ccnc1C[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000153348120 1125473781 /nfs/dbraw/zinc/47/37/81/1125473781.db2.gz YGQZWVAESWMUQX-UHFFFAOYSA-N 1 2 337.423 3.723 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000620149026 1125485776 /nfs/dbraw/zinc/48/57/76/1125485776.db2.gz UIYMNGAFOSVXAS-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000620149026 1125485781 /nfs/dbraw/zinc/48/57/81/1125485781.db2.gz UIYMNGAFOSVXAS-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000532091705 1024918851 /nfs/dbraw/zinc/91/88/51/1024918851.db2.gz NXBQMYVRROWFTL-AWEZNQCLSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000532091705 1024918865 /nfs/dbraw/zinc/91/88/65/1024918865.db2.gz NXBQMYVRROWFTL-AWEZNQCLSA-N 1 2 330.241 3.835 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)ccc2[nH+]1 ZINC000339272198 1014138426 /nfs/dbraw/zinc/13/84/26/1014138426.db2.gz DDLZUYQECCFECQ-UHFFFAOYSA-N 1 2 325.799 3.966 20 0 EHADLO COc1ccc(SCCC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000339272433 1014138621 /nfs/dbraw/zinc/13/86/21/1014138621.db2.gz UPRAYGVJBWATPM-UHFFFAOYSA-N 1 2 341.436 3.772 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000536663943 1032084341 /nfs/dbraw/zinc/08/43/41/1032084341.db2.gz YIBHTFIFJMFZFP-DOTOQJQBSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000536663943 1032084353 /nfs/dbraw/zinc/08/43/53/1032084353.db2.gz YIBHTFIFJMFZFP-DOTOQJQBSA-N 1 2 348.512 3.964 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cn(C)nc1C(F)F)C2 ZINC000274513456 1014164819 /nfs/dbraw/zinc/16/48/19/1014164819.db2.gz VXNKXIJXAUYNJC-UHFFFAOYSA-N 1 2 335.398 3.705 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1C(F)F)C2 ZINC000274513456 1014164823 /nfs/dbraw/zinc/16/48/23/1014164823.db2.gz VXNKXIJXAUYNJC-UHFFFAOYSA-N 1 2 335.398 3.705 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000654710717 1014205437 /nfs/dbraw/zinc/20/54/37/1014205437.db2.gz KKYOWOIKVYQUPT-TZMCWYRMSA-N 1 2 340.418 3.513 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000090232864 1014235296 /nfs/dbraw/zinc/23/52/96/1014235296.db2.gz TULHCHBOFIFKEG-LJQANCHMSA-N 1 2 334.423 3.579 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(-c4ccccc4C)c3C)ccc2[nH+]1 ZINC000339391607 1014327352 /nfs/dbraw/zinc/32/73/52/1014327352.db2.gz JDCWIABRHGGGCJ-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H]1CCC(F)(F)C1)Cc1ccccc1Cl ZINC000510041184 1014439199 /nfs/dbraw/zinc/43/91/99/1014439199.db2.gz NBMGZQNDWKFMOA-CYBMUJFWSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H]1CCC(F)(F)C1)Cc1ccccc1Cl ZINC000510041184 1014439202 /nfs/dbraw/zinc/43/92/02/1014439202.db2.gz NBMGZQNDWKFMOA-CYBMUJFWSA-N 1 2 344.833 3.714 20 0 EHADLO CCCC[N@@H+](Cc1ccccc1F)Cn1c(=O)oc2ccccc21 ZINC000063730486 1014469966 /nfs/dbraw/zinc/46/99/66/1014469966.db2.gz LTLIZJHTDJZTIA-UHFFFAOYSA-N 1 2 328.387 3.993 20 0 EHADLO CCCC[N@H+](Cc1ccccc1F)Cn1c(=O)oc2ccccc21 ZINC000063730486 1014469973 /nfs/dbraw/zinc/46/99/73/1014469973.db2.gz LTLIZJHTDJZTIA-UHFFFAOYSA-N 1 2 328.387 3.993 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000339471610 1014537359 /nfs/dbraw/zinc/53/73/59/1014537359.db2.gz XXBPAIYIXQAGMA-SJLPKXTDSA-N 1 2 325.456 3.628 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339471920 1014538166 /nfs/dbraw/zinc/53/81/66/1014538166.db2.gz WXZSKAMMSQGEQV-MRXNPFEDSA-N 1 2 332.492 3.696 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn(C(C)C)c2C)c1C ZINC000339491060 1014579301 /nfs/dbraw/zinc/57/93/01/1014579301.db2.gz HEICYYJDIVLOSR-UHFFFAOYSA-N 1 2 329.444 3.670 20 0 EHADLO C[N@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Cl)s1 ZINC000046171330 1014632067 /nfs/dbraw/zinc/63/20/67/1014632067.db2.gz PFOLGJZRFADXNJ-UHFFFAOYSA-N 1 2 336.888 3.582 20 0 EHADLO C[N@@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Cl)s1 ZINC000046171330 1014632072 /nfs/dbraw/zinc/63/20/72/1014632072.db2.gz PFOLGJZRFADXNJ-UHFFFAOYSA-N 1 2 336.888 3.582 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccccc2C)c1C ZINC000528311608 1032098556 /nfs/dbraw/zinc/09/85/56/1032098556.db2.gz MSRBWTVXAIVZBE-OAHLLOKOSA-N 1 2 340.467 3.853 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000339512965 1014633743 /nfs/dbraw/zinc/63/37/43/1014633743.db2.gz NTOGKWGHHZSHFF-UHFFFAOYSA-N 1 2 327.476 3.862 20 0 EHADLO COc1ccccc1-n1nccc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000339522602 1014685046 /nfs/dbraw/zinc/68/50/46/1014685046.db2.gz CJRIHOHGZIXHAM-UHFFFAOYSA-N 1 2 347.340 3.588 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)[nH+]1 ZINC000007177438 1014901183 /nfs/dbraw/zinc/90/11/83/1014901183.db2.gz DRWIWADXIDNWSG-GFCCVEGCSA-N 1 2 330.457 3.610 20 0 EHADLO CCC(CC)SCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000519964402 1015073375 /nfs/dbraw/zinc/07/33/75/1015073375.db2.gz BGIJPJYNDQYLES-UHFFFAOYSA-N 1 2 334.529 3.561 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C/C2CCCC2)c1)[NH+]1CCOCC1 ZINC000843544125 1015240044 /nfs/dbraw/zinc/24/00/44/1015240044.db2.gz JCTGSTIIZWRTLH-ZNFPLGDCSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000685616154 1033621976 /nfs/dbraw/zinc/62/19/76/1033621976.db2.gz PJXUVQPAXCOKNC-VIFPVBQESA-N 1 2 349.232 3.552 20 0 EHADLO c1cc(-c2ccccc2)oc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000179452306 1015387760 /nfs/dbraw/zinc/38/77/60/1015387760.db2.gz UKQHRWBLDNVHRG-UHFFFAOYSA-N 1 2 349.434 3.786 20 0 EHADLO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001206801244 1015472980 /nfs/dbraw/zinc/47/29/80/1015472980.db2.gz CBANIGIIDIDCGI-UHFFFAOYSA-N 1 2 339.505 3.673 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C2CC2)cc1Cl ZINC000655384118 1015490032 /nfs/dbraw/zinc/49/00/32/1015490032.db2.gz LLHUNYRLVJHMJO-GFCCVEGCSA-N 1 2 345.830 3.624 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430266432 1015554207 /nfs/dbraw/zinc/55/42/07/1015554207.db2.gz YABZZNRBLKSMHM-JSGCOSHPSA-N 1 2 340.423 3.860 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430266432 1015554220 /nfs/dbraw/zinc/55/42/20/1015554220.db2.gz YABZZNRBLKSMHM-JSGCOSHPSA-N 1 2 340.423 3.860 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191531 990782650 /nfs/dbraw/zinc/78/26/50/990782650.db2.gz KUNWTBGANKVZQW-SWLSCSKDSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191531 990782655 /nfs/dbraw/zinc/78/26/55/990782655.db2.gz KUNWTBGANKVZQW-SWLSCSKDSA-N 1 2 345.270 3.535 20 0 EHADLO C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(Cl)s1 ZINC000510135831 1015600392 /nfs/dbraw/zinc/60/03/92/1015600392.db2.gz UGCALCWJEIUYFL-UHFFFAOYSA-N 1 2 334.872 3.813 20 0 EHADLO C[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(Cl)s1 ZINC000510135831 1015600398 /nfs/dbraw/zinc/60/03/98/1015600398.db2.gz UGCALCWJEIUYFL-UHFFFAOYSA-N 1 2 334.872 3.813 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339783339 1015669548 /nfs/dbraw/zinc/66/95/48/1015669548.db2.gz QQZSUIKEXJJQBL-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2c(F)cccc2C1 ZINC000339783339 1015669555 /nfs/dbraw/zinc/66/95/55/1015669555.db2.gz QQZSUIKEXJJQBL-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649176 1015691839 /nfs/dbraw/zinc/69/18/39/1015691839.db2.gz PARWOIIRFSROHP-APWZRJJASA-N 1 2 325.456 3.560 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649176 1015691841 /nfs/dbraw/zinc/69/18/41/1015691841.db2.gz PARWOIIRFSROHP-APWZRJJASA-N 1 2 325.456 3.560 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cnc(CC(C)C)s2)oc1C ZINC000179818872 1015697247 /nfs/dbraw/zinc/69/72/47/1015697247.db2.gz QUKCXQUUDRVDGW-UHFFFAOYSA-N 1 2 336.457 3.662 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cnc(CC(C)C)s2)oc1C ZINC000179818872 1015697253 /nfs/dbraw/zinc/69/72/53/1015697253.db2.gz QUKCXQUUDRVDGW-UHFFFAOYSA-N 1 2 336.457 3.662 20 0 EHADLO CCOC(=O)C[N@H+](CCCc1cnccc1C)Cc1ccc(F)cc1 ZINC000584318309 1032126789 /nfs/dbraw/zinc/12/67/89/1032126789.db2.gz CYDKVDXDEWVSID-UHFFFAOYSA-N 1 2 344.430 3.527 20 0 EHADLO CCOC(=O)C[N@@H+](CCCc1cnccc1C)Cc1ccc(F)cc1 ZINC000584318309 1032126793 /nfs/dbraw/zinc/12/67/93/1032126793.db2.gz CYDKVDXDEWVSID-UHFFFAOYSA-N 1 2 344.430 3.527 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1 ZINC000081317670 1016051379 /nfs/dbraw/zinc/05/13/79/1016051379.db2.gz XEPXNMYRJPDMAN-HYSAVQALSA-N 1 2 337.467 3.957 20 0 EHADLO COC[C@H](C)N(Cc1cccc(OC)c1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001167119244 1016111573 /nfs/dbraw/zinc/11/15/73/1016111573.db2.gz BGIHCCTTXQAUGL-HNNXBMFYSA-N 1 2 341.455 3.713 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000047522455 1016143357 /nfs/dbraw/zinc/14/33/57/1016143357.db2.gz VIZYHQCVNOYJHP-CQSZACIVSA-N 1 2 349.438 3.585 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000047522455 1016143360 /nfs/dbraw/zinc/14/33/60/1016143360.db2.gz VIZYHQCVNOYJHP-CQSZACIVSA-N 1 2 349.438 3.585 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1 ZINC000275214370 1016156526 /nfs/dbraw/zinc/15/65/26/1016156526.db2.gz BBVVSGJPFJHNMM-SJLPKXTDSA-N 1 2 342.443 3.585 20 0 EHADLO Fc1ccc(Br)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093054985 1016332417 /nfs/dbraw/zinc/33/24/17/1016332417.db2.gz KLKJLHZQQRNVDS-UHFFFAOYSA-N 1 2 341.249 3.823 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388153 1016345950 /nfs/dbraw/zinc/34/59/50/1016345950.db2.gz KNSHNVQIJZHLQI-QGZVFWFLSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001203388153 1016345961 /nfs/dbraw/zinc/34/59/61/1016345961.db2.gz KNSHNVQIJZHLQI-QGZVFWFLSA-N 1 2 342.842 3.779 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000588169367 1016423846 /nfs/dbraw/zinc/42/38/46/1016423846.db2.gz VYQHFCVUDLKVOM-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000588169367 1016423850 /nfs/dbraw/zinc/42/38/50/1016423850.db2.gz VYQHFCVUDLKVOM-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO CCCc1ccc(CCCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000648337562 1016665075 /nfs/dbraw/zinc/66/50/75/1016665075.db2.gz IRKLJBHNGBKPNY-IBGZPJMESA-N 1 2 339.483 3.711 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccccc2Cl)c2nnc[nH]2)cc1 ZINC000340210916 1016705242 /nfs/dbraw/zinc/70/52/42/1016705242.db2.gz XKCOYVXOKZBONO-INIZCTEOSA-N 1 2 330.794 3.519 20 0 EHADLO O=C1[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)C[C@@H]2CCCCN12 ZINC000413379679 1016739097 /nfs/dbraw/zinc/73/90/97/1016739097.db2.gz MVSCMUGIIRYOKI-QFYYESIMSA-N 1 2 333.794 3.593 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000182914068 1032149985 /nfs/dbraw/zinc/14/99/85/1032149985.db2.gz SJZVDEABRDQFDX-CQSZACIVSA-N 1 2 336.313 3.670 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000178725445 1016761317 /nfs/dbraw/zinc/76/13/17/1016761317.db2.gz OOMUUHWRLYDFFO-SNVBAGLBSA-N 1 2 347.415 3.796 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000178725445 1016761326 /nfs/dbraw/zinc/76/13/26/1016761326.db2.gz OOMUUHWRLYDFFO-SNVBAGLBSA-N 1 2 347.415 3.796 20 0 EHADLO Cc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(C)c1CC(C)C ZINC000431836231 1016869464 /nfs/dbraw/zinc/86/94/64/1016869464.db2.gz YSXFMCTYFMXEFF-UHFFFAOYSA-N 1 2 349.482 3.571 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(Cl)cccc1OC)O[C@@H](C)C2 ZINC000237297618 1016944204 /nfs/dbraw/zinc/94/42/04/1016944204.db2.gz PZPMQRBNSGPKNJ-LBPRGKRZSA-N 1 2 347.842 3.970 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376717003 1017001042 /nfs/dbraw/zinc/00/10/42/1017001042.db2.gz XFJFBBITDWNHRX-OAHLLOKOSA-N 1 2 329.403 3.655 20 0 EHADLO CCCCn1nnnc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000547840902 1017039519 /nfs/dbraw/zinc/03/95/19/1017039519.db2.gz QYONGOCWSYSNRG-UHFFFAOYSA-N 1 2 333.867 3.506 20 0 EHADLO FC(F)CN1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941178 1017053250 /nfs/dbraw/zinc/05/32/50/1017053250.db2.gz BURNXQIPQCVSLG-UHFFFAOYSA-N 1 2 339.817 3.513 20 0 EHADLO Fc1cccnc1N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000536696086 1032155113 /nfs/dbraw/zinc/15/51/13/1032155113.db2.gz TUKPFVWSYWEBNM-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO CC[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCC(C)CC1 ZINC000460970627 1032163475 /nfs/dbraw/zinc/16/34/75/1032163475.db2.gz DEYZEPFYSIKJNM-HTWSVDAQSA-N 1 2 331.504 3.731 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000538148066 1032188528 /nfs/dbraw/zinc/18/85/28/1032188528.db2.gz UWDONFWUQZNKPW-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000538148066 1032188535 /nfs/dbraw/zinc/18/85/35/1032188535.db2.gz UWDONFWUQZNKPW-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(O)c1 ZINC000080923366 1032206136 /nfs/dbraw/zinc/20/61/36/1032206136.db2.gz AEKZIHQAAJMWBH-UHFFFAOYSA-N 1 2 326.440 3.760 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(O)c1 ZINC000080923366 1032206151 /nfs/dbraw/zinc/20/61/51/1032206151.db2.gz AEKZIHQAAJMWBH-UHFFFAOYSA-N 1 2 326.440 3.760 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000184022813 1032225182 /nfs/dbraw/zinc/22/51/82/1032225182.db2.gz LBEYHPRSKJRAPG-QGZVFWFLSA-N 1 2 336.357 3.716 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000184022813 1032225194 /nfs/dbraw/zinc/22/51/94/1032225194.db2.gz LBEYHPRSKJRAPG-QGZVFWFLSA-N 1 2 336.357 3.716 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c(=S)n1C ZINC000176829587 1032226452 /nfs/dbraw/zinc/22/64/52/1032226452.db2.gz PTOABNBIBXCDNE-CYBMUJFWSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c(=S)n1C ZINC000176829587 1032226460 /nfs/dbraw/zinc/22/64/60/1032226460.db2.gz PTOABNBIBXCDNE-CYBMUJFWSA-N 1 2 346.500 3.705 20 0 EHADLO Cc1nc2ccccc2nc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948833 1032227329 /nfs/dbraw/zinc/22/73/29/1032227329.db2.gz FGPZFYZJYNZVDJ-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO c1c[nH+]c([C@@H]2CCCN(Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000080961776 1032229784 /nfs/dbraw/zinc/22/97/84/1032229784.db2.gz AJLTYZCQILWXSK-GFCCVEGCSA-N 1 2 330.482 3.974 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176830731 1032233731 /nfs/dbraw/zinc/23/37/31/1032233731.db2.gz ZIXUDMVGNIVNOR-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176830731 1032233739 /nfs/dbraw/zinc/23/37/39/1032233739.db2.gz ZIXUDMVGNIVNOR-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)cc(C)c1OCc1ccccn1 ZINC000668423215 1032241263 /nfs/dbraw/zinc/24/12/63/1032241263.db2.gz RIUKPUZWXYWZGI-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)cc(C)c1OCc1ccccn1 ZINC000668423215 1032241271 /nfs/dbraw/zinc/24/12/71/1032241271.db2.gz RIUKPUZWXYWZGI-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)cc(C)c1OCc1ccccn1 ZINC000668423215 1032241238 /nfs/dbraw/zinc/24/12/38/1032241238.db2.gz RIUKPUZWXYWZGI-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)cc(C)c1OCc1ccccn1 ZINC000668423215 1032241252 /nfs/dbraw/zinc/24/12/52/1032241252.db2.gz RIUKPUZWXYWZGI-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)C[C@]2(CCOC2)O1 ZINC000459523666 1032243843 /nfs/dbraw/zinc/24/38/43/1032243843.db2.gz JIICNRURTXWDJB-DYVFJYSZSA-N 1 2 327.827 3.557 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)C[C@]2(CCOC2)O1 ZINC000459523666 1032243850 /nfs/dbraw/zinc/24/38/50/1032243850.db2.gz JIICNRURTXWDJB-DYVFJYSZSA-N 1 2 327.827 3.557 20 0 EHADLO COC[C@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccco1 ZINC000449173317 1032267648 /nfs/dbraw/zinc/26/76/48/1032267648.db2.gz FLUHGBAQKRSYIP-KRWDZBQOSA-N 1 2 342.464 3.999 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(F)F ZINC000459552544 1032270113 /nfs/dbraw/zinc/27/01/13/1032270113.db2.gz ZSDPLIHRXDAGEY-ZETCQYMHSA-N 1 2 344.711 3.931 20 0 EHADLO C[NH+](C)Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)no1 ZINC001351193222 1032308862 /nfs/dbraw/zinc/30/88/62/1032308862.db2.gz CDLGZEGZKUNHKU-UHFFFAOYSA-N 1 2 348.617 3.949 20 0 EHADLO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000184610873 1032308879 /nfs/dbraw/zinc/30/88/79/1032308879.db2.gz PNYWDSCOICYHOT-VIFPVBQESA-N 1 2 343.736 3.756 20 0 EHADLO COCC1(C)C[NH+](Cc2ccc(Br)cc2SC)C1 ZINC000459625570 1032339485 /nfs/dbraw/zinc/33/94/85/1032339485.db2.gz XQDIKGFYYIWZCR-UHFFFAOYSA-N 1 2 330.291 3.639 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000185011432 1032340235 /nfs/dbraw/zinc/34/02/35/1032340235.db2.gz QVPSLECVBWQYSB-FUHIMQAGSA-N 1 2 337.467 3.521 20 0 EHADLO COCCC1(C)C[NH+](Cc2cc(Br)ccc2Cl)C1 ZINC000459627168 1032343698 /nfs/dbraw/zinc/34/36/98/1032343698.db2.gz AZVQMEIEPSEBQC-UHFFFAOYSA-N 1 2 332.669 3.961 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000459630184 1032346945 /nfs/dbraw/zinc/34/69/45/1032346945.db2.gz INGNCOHNNOTGTJ-VIFPVBQESA-N 1 2 327.375 3.896 20 0 EHADLO Cn1c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)nc2ccccc21 ZINC000449237883 1032372465 /nfs/dbraw/zinc/37/24/65/1032372465.db2.gz PGYCXZZSIHAMTB-CYBMUJFWSA-N 1 2 331.341 3.768 20 0 EHADLO COc1ccc(Nc2nnc(SCCCn3cc[nH+]c3)s2)cc1 ZINC000185410222 1032396378 /nfs/dbraw/zinc/39/63/78/1032396378.db2.gz OIPBUCFWXGSTIE-UHFFFAOYSA-N 1 2 347.469 3.669 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000538493606 1032397244 /nfs/dbraw/zinc/39/72/44/1032397244.db2.gz VCIIZPSMACCAJZ-MRXNPFEDSA-N 1 2 330.497 3.884 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000538493606 1032397253 /nfs/dbraw/zinc/39/72/53/1032397253.db2.gz VCIIZPSMACCAJZ-MRXNPFEDSA-N 1 2 330.497 3.884 20 0 EHADLO CCc1ccncc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168108155 1032417971 /nfs/dbraw/zinc/41/79/71/1032417971.db2.gz BZQBUWQHKZWAJE-UHFFFAOYSA-N 1 2 336.530 3.507 20 0 EHADLO Cc1cccc(C(NC(=O)CCn2cc[nH+]c2)c2cccc(C)c2)c1 ZINC000084209568 1032419723 /nfs/dbraw/zinc/41/97/23/1032419723.db2.gz VPHDXWJQMPHCQW-UHFFFAOYSA-N 1 2 333.435 3.796 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccn(C)n1 ZINC000459748075 1032443086 /nfs/dbraw/zinc/44/30/86/1032443086.db2.gz JPCREPIOXPEZSC-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000151885868 1032459448 /nfs/dbraw/zinc/45/94/48/1032459448.db2.gz XNLWJQUTDBBPJO-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000151885868 1032459453 /nfs/dbraw/zinc/45/94/53/1032459453.db2.gz XNLWJQUTDBBPJO-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccc1Oc1ccccc1 ZINC000459793574 1032479118 /nfs/dbraw/zinc/47/91/18/1032479118.db2.gz LCYFCJSFIMCLPC-HOCLYGCPSA-N 1 2 340.448 3.607 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccc1Oc1ccccc1 ZINC000459793574 1032479121 /nfs/dbraw/zinc/47/91/21/1032479121.db2.gz LCYFCJSFIMCLPC-HOCLYGCPSA-N 1 2 340.448 3.607 20 0 EHADLO CCC1(O)CC[NH+](CC(=O)c2cc(C)n(CCC(C)C)c2C)CC1 ZINC000085823345 1032480759 /nfs/dbraw/zinc/48/07/59/1032480759.db2.gz OLSLOYZCCOFXMR-UHFFFAOYSA-N 1 2 334.504 3.571 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1c(F)cccc1F ZINC000537025953 1032489897 /nfs/dbraw/zinc/48/98/97/1032489897.db2.gz PLLVNEHUDBMBSN-VIFPVBQESA-N 1 2 344.814 3.647 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000892719412 1017099856 /nfs/dbraw/zinc/09/98/56/1017099856.db2.gz GVONCCISBKZPAR-HNNXBMFYSA-N 1 2 343.452 3.898 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000449358001 1032497229 /nfs/dbraw/zinc/49/72/29/1032497229.db2.gz BQBOPYFJVLYCBL-OUCADQQQSA-N 1 2 349.418 3.641 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000449358001 1032497232 /nfs/dbraw/zinc/49/72/32/1032497232.db2.gz BQBOPYFJVLYCBL-OUCADQQQSA-N 1 2 349.418 3.641 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000537068231 1032506909 /nfs/dbraw/zinc/50/69/09/1032506909.db2.gz VKEGDCYVIYFRJD-ZDUSSCGKSA-N 1 2 337.379 3.625 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000537155166 1032538754 /nfs/dbraw/zinc/53/87/54/1032538754.db2.gz XOUYRPMSURXJAE-ZDUSSCGKSA-N 1 2 346.402 3.522 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1=CC[C@H](C)CC1 ZINC000455845874 1032542451 /nfs/dbraw/zinc/54/24/51/1032542451.db2.gz NAIYDXZFHDREMO-KRWDZBQOSA-N 1 2 341.499 3.893 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000537169832 1032546292 /nfs/dbraw/zinc/54/62/92/1032546292.db2.gz GCKPYWAULIXEOZ-RYRKJORJSA-N 1 2 332.463 3.857 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431707 1032546799 /nfs/dbraw/zinc/54/67/99/1032546799.db2.gz ZDAXCXZJEYPCJD-VQIMIIECSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431707 1032546807 /nfs/dbraw/zinc/54/68/07/1032546807.db2.gz ZDAXCXZJEYPCJD-VQIMIIECSA-N 1 2 349.833 3.649 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c(C)c1 ZINC000537192098 1032552447 /nfs/dbraw/zinc/55/24/47/1032552447.db2.gz QBDPSBKBCUOKFN-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO CCCC(=O)N[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088429 1032570755 /nfs/dbraw/zinc/57/07/55/1032570755.db2.gz SUXJSOANCZEOEG-OAHLLOKOSA-N 1 2 332.492 3.609 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453930 1032571595 /nfs/dbraw/zinc/57/15/95/1032571595.db2.gz YFCZOWGCZBOJST-SDDRHHMPSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453930 1032571597 /nfs/dbraw/zinc/57/15/97/1032571597.db2.gz YFCZOWGCZBOJST-SDDRHHMPSA-N 1 2 334.407 3.677 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000460067082 1032572119 /nfs/dbraw/zinc/57/21/19/1032572119.db2.gz UXUFKCUGQCHEIH-INIZCTEOSA-N 1 2 329.444 3.973 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c(C)n1 ZINC000090177314 1032577081 /nfs/dbraw/zinc/57/70/81/1032577081.db2.gz IIZIQPCEQDRNIS-VIFPVBQESA-N 1 2 325.334 3.685 20 0 EHADLO C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000606320026 1032605154 /nfs/dbraw/zinc/60/51/54/1032605154.db2.gz ZSNNVIZUMXDZHD-HNNXBMFYSA-N 1 2 349.409 3.830 20 0 EHADLO CCn1ccnc(Nc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)c1=O ZINC000091014499 1032614734 /nfs/dbraw/zinc/61/47/34/1032614734.db2.gz DEVMZDIDAFCMQO-OAHLLOKOSA-N 1 2 326.444 3.694 20 0 EHADLO CCn1ccnc(Nc2ccc([N@H+]3CCCC[C@H]3C)cc2C)c1=O ZINC000091014499 1032614747 /nfs/dbraw/zinc/61/47/47/1032614747.db2.gz DEVMZDIDAFCMQO-OAHLLOKOSA-N 1 2 326.444 3.694 20 0 EHADLO CC(C)c1cc(N[C@@H](CO)C[C@H](O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000761235059 1032621734 /nfs/dbraw/zinc/62/17/34/1032621734.db2.gz ONSYCVSFZVUSKL-AEFFLSMTSA-N 1 2 343.471 3.620 20 0 EHADLO Cc1sc(NC(=O)[C@@H]2CCCC[N@H+]2C)nc1-c1ccc(F)cc1 ZINC000606356082 1032633901 /nfs/dbraw/zinc/63/39/01/1032633901.db2.gz NWHZOBMIHDFFOC-AWEZNQCLSA-N 1 2 333.432 3.680 20 0 EHADLO Cc1sc(NC(=O)[C@@H]2CCCC[N@@H+]2C)nc1-c1ccc(F)cc1 ZINC000606356082 1032633904 /nfs/dbraw/zinc/63/39/04/1032633904.db2.gz NWHZOBMIHDFFOC-AWEZNQCLSA-N 1 2 333.432 3.680 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172364800 1032638021 /nfs/dbraw/zinc/63/80/21/1032638021.db2.gz QTXYECNQNPWVAJ-IBGZPJMESA-N 1 2 349.438 3.560 20 0 EHADLO O=C(Nc1ccc(COc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000091166549 1032648325 /nfs/dbraw/zinc/64/83/25/1032648325.db2.gz FGPFVDRIDMHQEV-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000606365012 1032653153 /nfs/dbraw/zinc/65/31/53/1032653153.db2.gz GNHZOSARRVNBPS-INIZCTEOSA-N 1 2 338.451 3.988 20 0 EHADLO C[C@]1(C(=O)NCCCCNc2cccc[nH+]2)CCCc2ccccc21 ZINC000597779275 1032660802 /nfs/dbraw/zinc/66/08/02/1032660802.db2.gz WSAHZMXVMYAQLA-NRFANRHFSA-N 1 2 337.467 3.684 20 0 EHADLO O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091230915 1032673231 /nfs/dbraw/zinc/67/32/31/1032673231.db2.gz KHEXGADBPLEZQJ-PBHICJAKSA-N 1 2 342.418 3.515 20 0 EHADLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C1 ZINC000188313058 1017121873 /nfs/dbraw/zinc/12/18/73/1017121873.db2.gz INBBBSMTUASNES-BEFAXECRSA-N 1 2 341.455 3.697 20 0 EHADLO Cc1ccncc1C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376845948 1017155524 /nfs/dbraw/zinc/15/55/24/1017155524.db2.gz YVLPSWDMEOSZAV-GFCCVEGCSA-N 1 2 328.803 3.944 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000683456485 1017225550 /nfs/dbraw/zinc/22/55/50/1017225550.db2.gz CZHAOZAPACYOLD-IBGZPJMESA-N 1 2 331.419 3.842 20 0 EHADLO CN(C)c1cccc(CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000188820701 1017303198 /nfs/dbraw/zinc/30/31/98/1017303198.db2.gz QQVDQTFXWNPTPO-UHFFFAOYSA-N 1 2 334.423 3.714 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892778799 1017408724 /nfs/dbraw/zinc/40/87/24/1017408724.db2.gz NJYANDFFJDCDAC-JBEBIEQOSA-N 1 2 343.496 3.987 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892778804 1017409648 /nfs/dbraw/zinc/40/96/48/1017409648.db2.gz NJYANDFFJDCDAC-SHACYNPGSA-N 1 2 343.496 3.987 20 0 EHADLO Fc1ccc(NC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000091456663 1032698334 /nfs/dbraw/zinc/69/83/34/1032698334.db2.gz VWPWJMZDJZLTOS-UHFFFAOYSA-N 1 2 341.434 3.519 20 0 EHADLO Fc1ccc(NC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000091456663 1032698342 /nfs/dbraw/zinc/69/83/42/1032698342.db2.gz VWPWJMZDJZLTOS-UHFFFAOYSA-N 1 2 341.434 3.519 20 0 EHADLO CC[C@H]([NH2+]Cc1ccncc1Br)c1nc(C)cs1 ZINC000625317752 1017434944 /nfs/dbraw/zinc/43/49/44/1017434944.db2.gz IZZYPRZUEMZUGL-LBPRGKRZSA-N 1 2 326.263 3.850 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(-n3ccnc3)c2)n1-c1ccccc1 ZINC000378928216 1017459868 /nfs/dbraw/zinc/45/98/68/1017459868.db2.gz VSSZWGHWUYZDOW-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cn(-c3ccccc3F)nc2C)s1 ZINC000655743355 1017511892 /nfs/dbraw/zinc/51/18/92/1017511892.db2.gz GTBCBRAPIAZBEO-UHFFFAOYSA-N 1 2 330.432 3.629 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(C2CC2)no1)C[C@H]1CCCO1 ZINC000659838050 1017589987 /nfs/dbraw/zinc/58/99/87/1017589987.db2.gz JNCBVCKWZZPOQO-QGZVFWFLSA-N 1 2 342.439 3.742 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(C2CC2)no1)C[C@H]1CCCO1 ZINC000659838050 1017589999 /nfs/dbraw/zinc/58/99/99/1017589999.db2.gz JNCBVCKWZZPOQO-QGZVFWFLSA-N 1 2 342.439 3.742 20 0 EHADLO CC(C)[C@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000537414966 1032714887 /nfs/dbraw/zinc/71/48/87/1032714887.db2.gz ZHRMSDCKVKUBAM-IPMKNSEASA-N 1 2 347.499 3.733 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCCC2)cc1 ZINC000655795176 1017628121 /nfs/dbraw/zinc/62/81/21/1017628121.db2.gz YYFNHLZEPWXSAV-WMZOPIPTSA-N 1 2 344.434 3.816 20 0 EHADLO CC1(C)CC[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655796262 1017631236 /nfs/dbraw/zinc/63/12/36/1017631236.db2.gz DSWLGEKSZYFQLA-CVEARBPZSA-N 1 2 326.444 3.559 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCCC2 ZINC000655797477 1017636137 /nfs/dbraw/zinc/63/61/37/1017636137.db2.gz OKOMQBUMABJCNX-HOTGVXAUSA-N 1 2 346.862 3.867 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)s1 ZINC000655796901 1017636507 /nfs/dbraw/zinc/63/65/07/1017636507.db2.gz KHLBJRRPMFOXGN-ZJUUUORDSA-N 1 2 326.853 3.612 20 0 EHADLO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(F)c1 ZINC000651962532 1017703338 /nfs/dbraw/zinc/70/33/38/1017703338.db2.gz GOMDENCMFCUPHR-IBGZPJMESA-N 1 2 339.414 3.641 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ncc(Br)cn1)CC2 ZINC000340431271 1017774405 /nfs/dbraw/zinc/77/44/05/1017774405.db2.gz HQVPLHIVXMVVOK-MEBBXXQBSA-N 1 2 348.244 3.586 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c(F)c1 ZINC000547972486 1017826343 /nfs/dbraw/zinc/82/63/43/1017826343.db2.gz BPTSUMWWUUVWLJ-HXUWFJFHSA-N 1 2 347.405 3.945 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)c(F)c1 ZINC000547972486 1017826361 /nfs/dbraw/zinc/82/63/61/1017826361.db2.gz BPTSUMWWUUVWLJ-HXUWFJFHSA-N 1 2 347.405 3.945 20 0 EHADLO CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000046980649 1017887355 /nfs/dbraw/zinc/88/73/55/1017887355.db2.gz MMEFZNUVQMSOCU-MRXNPFEDSA-N 1 2 334.872 3.637 20 0 EHADLO CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000046980649 1017887370 /nfs/dbraw/zinc/88/73/70/1017887370.db2.gz MMEFZNUVQMSOCU-MRXNPFEDSA-N 1 2 334.872 3.637 20 0 EHADLO CCOC[C@H]1CC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000177632116 1017908438 /nfs/dbraw/zinc/90/84/38/1017908438.db2.gz BYVRKHFCYCFPHL-LBPRGKRZSA-N 1 2 341.427 3.883 20 0 EHADLO CCOC[C@H]1CC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000177632116 1017908452 /nfs/dbraw/zinc/90/84/52/1017908452.db2.gz BYVRKHFCYCFPHL-LBPRGKRZSA-N 1 2 341.427 3.883 20 0 EHADLO FCC[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000628457681 1017935159 /nfs/dbraw/zinc/93/51/59/1017935159.db2.gz JLEAIBUFHGZZOI-CQSZACIVSA-N 1 2 346.229 3.830 20 0 EHADLO FCC[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000628457681 1017935164 /nfs/dbraw/zinc/93/51/64/1017935164.db2.gz JLEAIBUFHGZZOI-CQSZACIVSA-N 1 2 346.229 3.830 20 0 EHADLO C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1(C)C ZINC000275655775 1017937225 /nfs/dbraw/zinc/93/72/25/1017937225.db2.gz WVCZVGWYBFIFEX-IUODEOHRSA-N 1 2 325.412 3.657 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001143495770 1017943232 /nfs/dbraw/zinc/94/32/32/1017943232.db2.gz SMZFPPACQMCHHZ-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001143495770 1017943240 /nfs/dbraw/zinc/94/32/40/1017943240.db2.gz SMZFPPACQMCHHZ-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO COc1cc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)on1 ZINC000659846941 1017994670 /nfs/dbraw/zinc/99/46/70/1017994670.db2.gz SAXSFKMIFMDJHO-UHFFFAOYSA-N 1 2 326.318 3.867 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)on1 ZINC000659846941 1017994681 /nfs/dbraw/zinc/99/46/81/1017994681.db2.gz SAXSFKMIFMDJHO-UHFFFAOYSA-N 1 2 326.318 3.867 20 0 EHADLO Cc1cccnc1OC1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000377573115 1017998762 /nfs/dbraw/zinc/99/87/62/1017998762.db2.gz MTTBNOMNCNWVMS-UHFFFAOYSA-N 1 2 348.450 3.685 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)CCCOc2ccccc2)no1 ZINC000472800449 1018003150 /nfs/dbraw/zinc/00/31/50/1018003150.db2.gz XPJVZHYOBIFQAC-UHFFFAOYSA-N 1 2 337.423 3.946 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)CCCOc2ccccc2)no1 ZINC000472800449 1018003164 /nfs/dbraw/zinc/00/31/64/1018003164.db2.gz XPJVZHYOBIFQAC-UHFFFAOYSA-N 1 2 337.423 3.946 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613675403 1018007656 /nfs/dbraw/zinc/00/76/56/1018007656.db2.gz JVWNJAVMDGAFSP-IRXDYDNUSA-N 1 2 345.874 3.797 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccccc1 ZINC000047271267 1018089124 /nfs/dbraw/zinc/08/91/24/1018089124.db2.gz MDWXKTKDJVMKJT-FQEVSTJZSA-N 1 2 331.419 3.909 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000548001263 1018108443 /nfs/dbraw/zinc/10/84/43/1018108443.db2.gz SSNRXAPLGITPHW-CRAIPNDOSA-N 1 2 340.471 3.593 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047473199 1018181097 /nfs/dbraw/zinc/18/10/97/1018181097.db2.gz ZDKBTLKKZRXFHZ-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3COc4c3ccc(C)c4C)ccc2[nH+]1 ZINC000606569196 1032751846 /nfs/dbraw/zinc/75/18/46/1032751846.db2.gz DAXUMHYJEWULSK-MRXNPFEDSA-N 1 2 336.395 3.515 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606569421 1032752474 /nfs/dbraw/zinc/75/24/74/1032752474.db2.gz UNAXRZSWUKGUOB-UHFFFAOYSA-N 1 2 338.411 3.705 20 0 EHADLO Cn1c2c(nc1[C@H]1CCC[N@@H+]1Cc1ccc3[nH]cnc3c1)CCCC2 ZINC000548021181 1018295648 /nfs/dbraw/zinc/29/56/48/1018295648.db2.gz BDLILHINVWOTJC-LJQANCHMSA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@H]1CCC[N@H+]1Cc1ccc3[nH]cnc3c1)CCCC2 ZINC000548021181 1018295663 /nfs/dbraw/zinc/29/56/63/1018295663.db2.gz BDLILHINVWOTJC-LJQANCHMSA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@H]1CCC[N@@H+]1Cc1ccc3nc[nH]c3c1)CCCC2 ZINC000548021181 1018295674 /nfs/dbraw/zinc/29/56/74/1018295674.db2.gz BDLILHINVWOTJC-LJQANCHMSA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@H]1CCC[N@H+]1Cc1ccc3nc[nH]c3c1)CCCC2 ZINC000548021181 1018295686 /nfs/dbraw/zinc/29/56/86/1018295686.db2.gz BDLILHINVWOTJC-LJQANCHMSA-N 1 2 335.455 3.512 20 0 EHADLO C[NH+](C)[C@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656034971 1018298216 /nfs/dbraw/zinc/29/82/16/1018298216.db2.gz QLVDJQYZKIRKJU-KRWDZBQOSA-N 1 2 334.423 3.586 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1nccn1CC(F)(F)F)CC1CC1 ZINC000177171153 1018343621 /nfs/dbraw/zinc/34/36/21/1018343621.db2.gz RGFKQBVWDPVHJW-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1nccn1CC(F)(F)F)CC1CC1 ZINC000177171153 1018343625 /nfs/dbraw/zinc/34/36/25/1018343625.db2.gz RGFKQBVWDPVHJW-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO O=C(/C=C\c1cccs1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000255154108 1018387666 /nfs/dbraw/zinc/38/76/66/1018387666.db2.gz SHTGRQXUULBGHH-FPLPWBNLSA-N 1 2 341.480 3.853 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000606581554 1032764889 /nfs/dbraw/zinc/76/48/89/1032764889.db2.gz IHSNUYUWMSXQOJ-KRWDZBQOSA-N 1 2 338.386 3.712 20 0 EHADLO O=C(NCCOc1cccc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000606581499 1032764971 /nfs/dbraw/zinc/76/49/71/1032764971.db2.gz FWBKKDYGDUOFOZ-UHFFFAOYSA-N 1 2 346.390 3.688 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000606580497 1032765274 /nfs/dbraw/zinc/76/52/74/1032765274.db2.gz RDTLCQXOGNFIAY-AWEZNQCLSA-N 1 2 342.786 3.633 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2csc(C(F)(F)F)n2)C(C)(C)C)cn1 ZINC000893098669 1018475127 /nfs/dbraw/zinc/47/51/27/1018475127.db2.gz RECBAHCURFURBQ-LLVKDONJSA-N 1 2 332.395 3.772 20 0 EHADLO COc1ccc(CCC2CC[NH+]([C@H](C)c3noc(C)n3)CC2)cc1 ZINC000377876103 1018504586 /nfs/dbraw/zinc/50/45/86/1018504586.db2.gz VOMBYBWUVQKZJE-CQSZACIVSA-N 1 2 329.444 3.792 20 0 EHADLO COc1ccc([C@@H](C)CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000175875618 1018504996 /nfs/dbraw/zinc/50/49/96/1018504996.db2.gz QLEWNWREWNBXBH-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)c1ncn(C)n1 ZINC000275753689 1018511865 /nfs/dbraw/zinc/51/18/65/1018511865.db2.gz SBBBKXVNQLSWPV-YGRLFVJLSA-N 1 2 338.427 3.858 20 0 EHADLO FC1(F)C[C@H]1OCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000659875601 1018607869 /nfs/dbraw/zinc/60/78/69/1018607869.db2.gz OGSMXRXGWZVLOF-HUUCEWRRSA-N 1 2 349.381 3.688 20 0 EHADLO FC1(F)C[C@H]1OCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000659875601 1018607876 /nfs/dbraw/zinc/60/78/76/1018607876.db2.gz OGSMXRXGWZVLOF-HUUCEWRRSA-N 1 2 349.381 3.688 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047760189 1018649785 /nfs/dbraw/zinc/64/97/85/1018649785.db2.gz MMYWCMMOXPHJIH-GFCCVEGCSA-N 1 2 336.823 3.536 20 0 EHADLO COc1cccc2c(N3CCC[C@@H](c4nncn4C4CC4)C3)cc[nH+]c12 ZINC000275796996 1018668540 /nfs/dbraw/zinc/66/85/40/1018668540.db2.gz JOJMEHFEDFZJJU-CQSZACIVSA-N 1 2 349.438 3.554 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSC(C)(C)C)n2)C1 ZINC000253603254 1018741267 /nfs/dbraw/zinc/74/12/67/1018741267.db2.gz CJYAFQRSKHXXOM-LBPRGKRZSA-N 1 2 341.546 3.845 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSC(C)(C)C)n2)C1 ZINC000253603254 1018741282 /nfs/dbraw/zinc/74/12/82/1018741282.db2.gz CJYAFQRSKHXXOM-LBPRGKRZSA-N 1 2 341.546 3.845 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(F)cc1Br ZINC000580197883 1018774712 /nfs/dbraw/zinc/77/47/12/1018774712.db2.gz JRZIBADBSCPTGF-SNVBAGLBSA-N 1 2 340.196 3.683 20 0 EHADLO Cc1ccc(CNC(=O)c2cccc(CNc3cccc[nH+]3)c2)cc1 ZINC000052308688 1018787134 /nfs/dbraw/zinc/78/71/34/1018787134.db2.gz RHZQTMRMLFQLME-UHFFFAOYSA-N 1 2 331.419 3.932 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247639 1018790381 /nfs/dbraw/zinc/79/03/81/1018790381.db2.gz JUCUVCBUSMHEKZ-GOSISDBHSA-N 1 2 345.826 3.700 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247639 1018790402 /nfs/dbraw/zinc/79/04/02/1018790402.db2.gz JUCUVCBUSMHEKZ-GOSISDBHSA-N 1 2 345.826 3.700 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453257 1018814467 /nfs/dbraw/zinc/81/44/67/1018814467.db2.gz QFDYIVIRZZVMLP-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453257 1018814481 /nfs/dbraw/zinc/81/44/81/1018814481.db2.gz QFDYIVIRZZVMLP-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442639 1018815690 /nfs/dbraw/zinc/81/56/90/1018815690.db2.gz LAAGKMWJLVZURZ-MRXNPFEDSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442639 1018815709 /nfs/dbraw/zinc/81/57/09/1018815709.db2.gz LAAGKMWJLVZURZ-MRXNPFEDSA-N 1 2 326.440 3.539 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000571381235 1018858024 /nfs/dbraw/zinc/85/80/24/1018858024.db2.gz QZOLVLNKNOLLKT-LJQANCHMSA-N 1 2 340.471 3.598 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCc2ccccc21 ZINC000047405990 1018881315 /nfs/dbraw/zinc/88/13/15/1018881315.db2.gz NSEXSDPYSBJZBA-LJQANCHMSA-N 1 2 340.373 3.526 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCc2ccccc21 ZINC000047405990 1018881324 /nfs/dbraw/zinc/88/13/24/1018881324.db2.gz NSEXSDPYSBJZBA-LJQANCHMSA-N 1 2 340.373 3.526 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412708434 1018908906 /nfs/dbraw/zinc/90/89/06/1018908906.db2.gz KGOSYFLOGXKHCK-OAHLLOKOSA-N 1 2 343.496 3.613 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412708434 1018908921 /nfs/dbraw/zinc/90/89/21/1018908921.db2.gz KGOSYFLOGXKHCK-OAHLLOKOSA-N 1 2 343.496 3.613 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571462368 1018977503 /nfs/dbraw/zinc/97/75/03/1018977503.db2.gz ZVPGSRIAMOAYOA-VKJFTORMSA-N 1 2 341.455 3.597 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571462368 1018977517 /nfs/dbraw/zinc/97/75/17/1018977517.db2.gz ZVPGSRIAMOAYOA-VKJFTORMSA-N 1 2 341.455 3.597 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000119291630 1032804363 /nfs/dbraw/zinc/80/43/63/1032804363.db2.gz UEGQGQVYVWDFMB-HZPDHXFCSA-N 1 2 343.446 3.534 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccs1 ZINC000052560170 1019080144 /nfs/dbraw/zinc/08/01/44/1019080144.db2.gz XWJBLBRGPFGAQK-OAHLLOKOSA-N 1 2 334.489 3.811 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCCC[C@H]1c1ccco1 ZINC000345095686 1019095275 /nfs/dbraw/zinc/09/52/75/1019095275.db2.gz YVUZKMBONZEUNI-IKGGRYGDSA-N 1 2 339.439 3.501 20 0 EHADLO Cn1nccc1-c1ccccc1C[NH2+]CC(F)(F)c1ccccc1 ZINC000513143692 1019099613 /nfs/dbraw/zinc/09/96/13/1019099613.db2.gz FXBRSLSCMXIGAN-UHFFFAOYSA-N 1 2 327.378 3.969 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000683889286 1019101528 /nfs/dbraw/zinc/10/15/28/1019101528.db2.gz DXRPNDYBXKFUQV-IRXDYDNUSA-N 1 2 344.282 3.806 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000683889286 1019101535 /nfs/dbraw/zinc/10/15/35/1019101535.db2.gz DXRPNDYBXKFUQV-IRXDYDNUSA-N 1 2 344.282 3.806 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000683889287 1019102839 /nfs/dbraw/zinc/10/28/39/1019102839.db2.gz DXRPNDYBXKFUQV-SJORKVTESA-N 1 2 344.282 3.806 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000683889287 1019102847 /nfs/dbraw/zinc/10/28/47/1019102847.db2.gz DXRPNDYBXKFUQV-SJORKVTESA-N 1 2 344.282 3.806 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000683900559 1019154815 /nfs/dbraw/zinc/15/48/15/1019154815.db2.gz YLJJNHHLDFEJPG-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000683900559 1019154819 /nfs/dbraw/zinc/15/48/19/1019154819.db2.gz YLJJNHHLDFEJPG-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000729251914 1019249049 /nfs/dbraw/zinc/24/90/49/1019249049.db2.gz ZPGNAIVEZZHFOP-SXSDINLZSA-N 1 2 338.426 3.744 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(SC)cc2)c1C ZINC000051586860 1019257778 /nfs/dbraw/zinc/25/77/78/1019257778.db2.gz MSBJHRDPUAGDBW-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2n1 ZINC000729340993 1019301128 /nfs/dbraw/zinc/30/11/28/1019301128.db2.gz JAAUSRCYXBYRLL-GOSISDBHSA-N 1 2 336.439 3.584 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C\c2ccccc2)c1)[NH+]1CCOCC1 ZINC000729409282 1019349883 /nfs/dbraw/zinc/34/98/83/1019349883.db2.gz VNAUFSGHZKESHC-MQNTZWLQSA-N 1 2 336.435 3.732 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449572312 1032829668 /nfs/dbraw/zinc/82/96/68/1032829668.db2.gz MUUGXFKLOUNLAS-ZANVPECISA-N 1 2 326.227 3.994 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3ccc4n[nH]cc4c3)n2)c1 ZINC000513217153 1019432528 /nfs/dbraw/zinc/43/25/28/1019432528.db2.gz DZUZKYVPHQZLEU-CYBMUJFWSA-N 1 2 333.395 3.772 20 0 EHADLO Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000340700436 1019457839 /nfs/dbraw/zinc/45/78/39/1019457839.db2.gz APNRDWOGAGRMKZ-UHFFFAOYSA-N 1 2 348.450 3.931 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433628904 1019466819 /nfs/dbraw/zinc/46/68/19/1019466819.db2.gz PYXHXZQLDXOFCW-ZWKOTPCHSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433628904 1019466825 /nfs/dbraw/zinc/46/68/25/1019466825.db2.gz PYXHXZQLDXOFCW-ZWKOTPCHSA-N 1 2 340.471 3.781 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2c(C)cccc2C)c1C ZINC000050254165 1019473851 /nfs/dbraw/zinc/47/38/51/1019473851.db2.gz VJSQMXSOZDJHRT-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000513266766 1019487296 /nfs/dbraw/zinc/48/72/96/1019487296.db2.gz MMYPVPJQNXSZMD-GFCCVEGCSA-N 1 2 333.382 3.773 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047931448 1019501640 /nfs/dbraw/zinc/50/16/40/1019501640.db2.gz YCJMOAXUNFAMFP-ZDUSSCGKSA-N 1 2 333.391 3.909 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1nc(C(F)(F)F)ccc1=O ZINC000178888933 1019520017 /nfs/dbraw/zinc/52/00/17/1019520017.db2.gz GPIIHVCKJRKGLN-INIZCTEOSA-N 1 2 339.361 3.549 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1nc(C(F)(F)F)ccc1=O ZINC000178888933 1019520024 /nfs/dbraw/zinc/52/00/24/1019520024.db2.gz GPIIHVCKJRKGLN-INIZCTEOSA-N 1 2 339.361 3.549 20 0 EHADLO CCc1ccc([C@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366961 1019574539 /nfs/dbraw/zinc/57/45/39/1019574539.db2.gz NFKFVLJGJKYFLD-VQTJNVASSA-N 1 2 338.451 3.738 20 0 EHADLO CCc1ccc([C@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366961 1019574546 /nfs/dbraw/zinc/57/45/46/1019574546.db2.gz NFKFVLJGJKYFLD-VQTJNVASSA-N 1 2 338.451 3.738 20 0 EHADLO O=C(CCc1cccs1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000580535743 1019575799 /nfs/dbraw/zinc/57/57/99/1019575799.db2.gz WKPUZIJVLRTJCH-SHTZXODSSA-N 1 2 329.469 3.615 20 0 EHADLO CCOc1ccc([C@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OCC ZINC000433771918 1019585067 /nfs/dbraw/zinc/58/50/67/1019585067.db2.gz AHEKINWLAHMLBP-LBPRGKRZSA-N 1 2 340.427 3.659 20 0 EHADLO Fc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OC(F)F ZINC000580543105 1019596085 /nfs/dbraw/zinc/59/60/85/1019596085.db2.gz MUIKZPRRDMZOPF-WBVHZDCISA-N 1 2 327.346 3.571 20 0 EHADLO Fc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OC(F)F ZINC000580543105 1019596096 /nfs/dbraw/zinc/59/60/96/1019596096.db2.gz MUIKZPRRDMZOPF-WBVHZDCISA-N 1 2 327.346 3.571 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCCC(=O)Nc2ccc(Cl)cc2)[nH+]1 ZINC000433773272 1019609746 /nfs/dbraw/zinc/60/97/46/1019609746.db2.gz HOTBIBOSNMUERW-UHFFFAOYSA-N 1 2 343.818 3.702 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000683993852 1019683797 /nfs/dbraw/zinc/68/37/97/1019683797.db2.gz RNIKNPZZSLWGEC-HNNXBMFYSA-N 1 2 344.503 3.687 20 0 EHADLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)c2ncnn21 ZINC000664185247 1019695221 /nfs/dbraw/zinc/69/52/21/1019695221.db2.gz BGVTYRDDRLAPOC-NOZJJQNGSA-N 1 2 333.317 3.963 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(C)c(Br)c2)c[nH+]1 ZINC000397056647 1032847739 /nfs/dbraw/zinc/84/77/39/1032847739.db2.gz UIQOESCNPLLNFI-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Brc1ccncc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001211232921 1019725797 /nfs/dbraw/zinc/72/57/97/1019725797.db2.gz GPSGKVGCXUHDHT-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO CSCC1(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CC1 ZINC000593296583 1032853700 /nfs/dbraw/zinc/85/37/00/1032853700.db2.gz ZSSUWVUXNHDBSG-UHFFFAOYSA-N 1 2 326.425 3.608 20 0 EHADLO COc1ccccc1/C=C\C[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000684027622 1019850398 /nfs/dbraw/zinc/85/03/98/1019850398.db2.gz ANYFVUCWIOPLIO-VURMDHGXSA-N 1 2 339.370 3.687 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2cc(F)cc(F)c2)c1 ZINC000433993583 1019860368 /nfs/dbraw/zinc/86/03/68/1019860368.db2.gz OAFAFWHNFPTRHW-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCCCCNc1cccc[nH+]1 ZINC000255695126 1019867400 /nfs/dbraw/zinc/86/74/00/1019867400.db2.gz HOZZBJGGHZZEQQ-VURMDHGXSA-N 1 2 327.403 3.633 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000340767895 1019959480 /nfs/dbraw/zinc/95/94/80/1019959480.db2.gz IMRDPFWFZHBPDQ-QGZVFWFLSA-N 1 2 339.826 3.902 20 0 EHADLO CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510343713 1019968815 /nfs/dbraw/zinc/96/88/15/1019968815.db2.gz UGJVCSBFADUSBL-QZTJIDSGSA-N 1 2 344.503 3.709 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000345124365 1019981354 /nfs/dbraw/zinc/98/13/54/1019981354.db2.gz KVGIKDTYIYWJEC-UHFFFAOYSA-N 1 2 335.411 3.816 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000345124365 1019981360 /nfs/dbraw/zinc/98/13/60/1019981360.db2.gz KVGIKDTYIYWJEC-UHFFFAOYSA-N 1 2 335.411 3.816 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160621810 1019981464 /nfs/dbraw/zinc/98/14/64/1019981464.db2.gz LPGRGCBYEWGKCY-HIFRSBDPSA-N 1 2 331.464 3.589 20 0 EHADLO C[C@@H]1SCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000345173936 1020008746 /nfs/dbraw/zinc/00/87/46/1020008746.db2.gz WPNWRZRMMSRACD-UWVGGRQHSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H]1SCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000345173936 1020008757 /nfs/dbraw/zinc/00/87/57/1020008757.db2.gz WPNWRZRMMSRACD-UWVGGRQHSA-N 1 2 344.274 3.504 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2[nH+]1 ZINC000071555994 1020019679 /nfs/dbraw/zinc/01/96/79/1020019679.db2.gz LXSBKINYTIHEPE-UHFFFAOYSA-N 1 2 343.452 3.741 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000528825994 1032871460 /nfs/dbraw/zinc/87/14/60/1032871460.db2.gz SLUKLOJNQIBCDS-UWVGGRQHSA-N 1 2 339.773 3.691 20 0 EHADLO C[C@H](Cc1nc(CCCc2ccccc2Cl)no1)n1cc[nH+]c1 ZINC000580837860 1020121706 /nfs/dbraw/zinc/12/17/06/1020121706.db2.gz XPIDLXXJYGVMGT-CYBMUJFWSA-N 1 2 330.819 3.899 20 0 EHADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccco1 ZINC000023828393 1020129684 /nfs/dbraw/zinc/12/96/84/1020129684.db2.gz WPFKLZZUTUNHRF-MRXNPFEDSA-N 1 2 341.455 3.729 20 0 EHADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccco1 ZINC000023828393 1020129690 /nfs/dbraw/zinc/12/96/90/1020129690.db2.gz WPFKLZZUTUNHRF-MRXNPFEDSA-N 1 2 341.455 3.729 20 0 EHADLO C[C@@H](CNc1ncnc2sc3c(c21)CC[C@@H](C)C3)Cn1cc[nH+]c1 ZINC000060380087 1020141018 /nfs/dbraw/zinc/14/10/18/1020141018.db2.gz CVQBDDDGQOCKRB-OLZOCXBDSA-N 1 2 341.484 3.761 20 0 EHADLO CC(C)n1nccc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000280167764 1020148568 /nfs/dbraw/zinc/14/85/68/1020148568.db2.gz GQPOBUAHLWKSRX-UHFFFAOYSA-N 1 2 342.270 3.765 20 0 EHADLO CC(C)n1nccc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000280167764 1020148576 /nfs/dbraw/zinc/14/85/76/1020148576.db2.gz GQPOBUAHLWKSRX-UHFFFAOYSA-N 1 2 342.270 3.765 20 0 EHADLO COc1cccc(NC(=O)CC[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347404210 1032880443 /nfs/dbraw/zinc/88/04/43/1032880443.db2.gz ASPXSFWRYXTRLS-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO COc1cccc(NC(=O)CC[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347404210 1032880459 /nfs/dbraw/zinc/88/04/59/1032880459.db2.gz ASPXSFWRYXTRLS-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO CC[N@@H+]1CCO[C@H](CN[C@H](C)c2csc(C)n2)[C@@H]1c1ccccc1 ZINC000345327602 1020173386 /nfs/dbraw/zinc/17/33/86/1020173386.db2.gz JAZXBSHHOSHMII-ZMYBRWDISA-N 1 2 345.512 3.564 20 0 EHADLO CC[N@H+]1CCO[C@H](CN[C@H](C)c2csc(C)n2)[C@@H]1c1ccccc1 ZINC000345327602 1020173396 /nfs/dbraw/zinc/17/33/96/1020173396.db2.gz JAZXBSHHOSHMII-ZMYBRWDISA-N 1 2 345.512 3.564 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000580894198 1020197223 /nfs/dbraw/zinc/19/72/23/1020197223.db2.gz ANOMCXJAARZMQH-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc(C)c1F ZINC001143384677 1020233319 /nfs/dbraw/zinc/23/33/19/1020233319.db2.gz LICHYBMIXBZBBU-MRXNPFEDSA-N 1 2 326.406 3.748 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000345446369 1020259050 /nfs/dbraw/zinc/25/90/50/1020259050.db2.gz KXXHRWZTXYCZKK-FQEVSTJZSA-N 1 2 338.451 3.503 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)nc2ccccc12 ZINC000280325768 1020293233 /nfs/dbraw/zinc/29/32/33/1020293233.db2.gz GYDLEYQDMUFWOR-LIRRHRJNSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)nc2ccccc12 ZINC000280325768 1020293237 /nfs/dbraw/zinc/29/32/37/1020293237.db2.gz GYDLEYQDMUFWOR-LIRRHRJNSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000345511688 1020308825 /nfs/dbraw/zinc/30/88/25/1020308825.db2.gz BVRXNPSQOUJULI-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000280362417 1020322996 /nfs/dbraw/zinc/32/29/96/1020322996.db2.gz URXGLHKULUFJDV-VKJFTORMSA-N 1 2 348.512 3.630 20 0 EHADLO COCc1c(Br)cccc1NCc1c[nH+]cn1C(C)C ZINC000090208719 1020323001 /nfs/dbraw/zinc/32/30/01/1020323001.db2.gz JTHVYOLTAIRALK-UHFFFAOYSA-N 1 2 338.249 3.985 20 0 EHADLO Cc1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3C(=O)NCC(F)F)cc2c1C ZINC000449600461 1032892893 /nfs/dbraw/zinc/89/28/93/1032892893.db2.gz KCQKUWPXXUKWMC-KRWDZBQOSA-N 1 2 349.425 3.521 20 0 EHADLO Cc1ccc2[nH]c(C[N@H+]3CCCC[C@H]3C(=O)NCC(F)F)cc2c1C ZINC000449600461 1032892905 /nfs/dbraw/zinc/89/29/05/1032892905.db2.gz KCQKUWPXXUKWMC-KRWDZBQOSA-N 1 2 349.425 3.521 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119331917 1032892996 /nfs/dbraw/zinc/89/29/96/1032892996.db2.gz GCZGYJVWNPJUGD-MSOLQXFVSA-N 1 2 339.483 3.703 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000581008182 1020353689 /nfs/dbraw/zinc/35/36/89/1020353689.db2.gz BFDBAMOHYKZWQE-LJQANCHMSA-N 1 2 330.859 3.968 20 0 EHADLO Cc1cnc(CC[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000581008182 1020353701 /nfs/dbraw/zinc/35/37/01/1020353701.db2.gz BFDBAMOHYKZWQE-LJQANCHMSA-N 1 2 330.859 3.968 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c(F)c1F ZINC000280414945 1020373243 /nfs/dbraw/zinc/37/32/43/1020373243.db2.gz BFSLYRKSZHOVGJ-GFCCVEGCSA-N 1 2 346.349 3.841 20 0 EHADLO CC(C)[C@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000280422813 1020379402 /nfs/dbraw/zinc/37/94/02/1020379402.db2.gz ZDHFVTILJBDEOA-AWEZNQCLSA-N 1 2 338.377 3.552 20 0 EHADLO CC(C)[C@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000280422813 1020379410 /nfs/dbraw/zinc/37/94/10/1020379410.db2.gz ZDHFVTILJBDEOA-AWEZNQCLSA-N 1 2 338.377 3.552 20 0 EHADLO CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c3cccc1c32 ZINC000345593880 1020380496 /nfs/dbraw/zinc/38/04/96/1020380496.db2.gz UPHNAXZPBXVQFM-CLCXKQKWSA-N 1 2 349.478 3.862 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000345617657 1020388518 /nfs/dbraw/zinc/38/85/18/1020388518.db2.gz YZJICNHHHUPCGX-QGZVFWFLSA-N 1 2 349.434 3.516 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000345630511 1020403966 /nfs/dbraw/zinc/40/39/66/1020403966.db2.gz NXVQMKPLQXCMRH-PBHICJAKSA-N 1 2 325.456 3.906 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145769 1020429418 /nfs/dbraw/zinc/42/94/18/1020429418.db2.gz SKUMLZDSLXELAX-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145769 1020429423 /nfs/dbraw/zinc/42/94/23/1020429423.db2.gz SKUMLZDSLXELAX-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000030142026 1020436715 /nfs/dbraw/zinc/43/67/15/1020436715.db2.gz KGGNQEOPKULUFD-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000030142026 1020436721 /nfs/dbraw/zinc/43/67/21/1020436721.db2.gz KGGNQEOPKULUFD-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000030142024 1020435856 /nfs/dbraw/zinc/43/58/56/1020435856.db2.gz KGGNQEOPKULUFD-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000030142024 1020435863 /nfs/dbraw/zinc/43/58/63/1020435863.db2.gz KGGNQEOPKULUFD-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO O=C(Nc1cccc2c1CCCC2)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000684161771 1020531331 /nfs/dbraw/zinc/53/13/31/1020531331.db2.gz FPHFYBPUUBOMAW-HXUWFJFHSA-N 1 2 335.451 3.564 20 0 EHADLO O=C(Nc1cccc2c1CCCC2)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000684161771 1020531333 /nfs/dbraw/zinc/53/13/33/1020531333.db2.gz FPHFYBPUUBOMAW-HXUWFJFHSA-N 1 2 335.451 3.564 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000345834347 1020537142 /nfs/dbraw/zinc/53/71/42/1020537142.db2.gz QKPQROCEBSUOQJ-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000292324757 1020539219 /nfs/dbraw/zinc/53/92/19/1020539219.db2.gz MORAVLYIBALYTF-KRWDZBQOSA-N 1 2 346.862 3.900 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@@H]4CCCc5ccccc54)no3)c2)c[nH+]1 ZINC000345859098 1020562299 /nfs/dbraw/zinc/56/22/99/1020562299.db2.gz XQYKVSSYCKVSSA-QGZVFWFLSA-N 1 2 343.390 3.786 20 0 EHADLO Cc1ccc(CSCc2nn(C)cc2Br)c(C)[nH+]1 ZINC000419462213 1020671816 /nfs/dbraw/zinc/67/18/16/1020671816.db2.gz LMQZTKULHLRBDD-UHFFFAOYSA-N 1 2 326.263 3.628 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000375639222 1020709952 /nfs/dbraw/zinc/70/99/52/1020709952.db2.gz LZYBZCIFNPSLRU-ZDUSSCGKSA-N 1 2 344.484 3.782 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000375639222 1020709960 /nfs/dbraw/zinc/70/99/60/1020709960.db2.gz LZYBZCIFNPSLRU-ZDUSSCGKSA-N 1 2 344.484 3.782 20 0 EHADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000581371685 1020754906 /nfs/dbraw/zinc/75/49/06/1020754906.db2.gz IFSQYMUTYFBORY-OXJNMPFZSA-N 1 2 341.430 3.593 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042469702 1020789155 /nfs/dbraw/zinc/78/91/55/1020789155.db2.gz LEKYDRTWKZUXBH-MRXNPFEDSA-N 1 2 331.485 3.667 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1C1CCCCC1 ZINC001167458794 1020815542 /nfs/dbraw/zinc/81/55/42/1020815542.db2.gz XTNOEWFFJHGJLD-SFHVURJKSA-N 1 2 332.875 3.632 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1C1CCCCC1 ZINC001167458794 1020815552 /nfs/dbraw/zinc/81/55/52/1020815552.db2.gz XTNOEWFFJHGJLD-SFHVURJKSA-N 1 2 332.875 3.632 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341003793 1020820066 /nfs/dbraw/zinc/82/00/66/1020820066.db2.gz RVTKJYYUQDRRCL-IBGZPJMESA-N 1 2 333.435 3.899 20 0 EHADLO Cc1c[nH+]c(CNCc2ccc(-c3nc4ccccc4s3)o2)n1C ZINC000341004777 1020824551 /nfs/dbraw/zinc/82/45/51/1020824551.db2.gz CMBOOKXQVWEJAY-UHFFFAOYSA-N 1 2 338.436 3.888 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)n1C ZINC000341004777 1020824561 /nfs/dbraw/zinc/82/45/61/1020824561.db2.gz CMBOOKXQVWEJAY-UHFFFAOYSA-N 1 2 338.436 3.888 20 0 EHADLO CCc1cc(C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)on1 ZINC000548165630 1020834239 /nfs/dbraw/zinc/83/42/39/1020834239.db2.gz JXDJDNVRIXAMOB-UHFFFAOYSA-N 1 2 340.379 3.573 20 0 EHADLO CCC(CC)(CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341014611 1020855828 /nfs/dbraw/zinc/85/58/28/1020855828.db2.gz LTYVGUKTLPNZBH-UHFFFAOYSA-N 1 2 332.423 3.779 20 0 EHADLO Cc1cnc(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)n1C ZINC000341058503 1020944423 /nfs/dbraw/zinc/94/44/23/1020944423.db2.gz VRODHHWZDYEHCO-HXUWFJFHSA-N 1 2 335.451 3.776 20 0 EHADLO Cc1c[nH+]c(CN[C@H](COCc2ccccc2)c2ccccc2)n1C ZINC000341058503 1020944436 /nfs/dbraw/zinc/94/44/36/1020944436.db2.gz VRODHHWZDYEHCO-HXUWFJFHSA-N 1 2 335.451 3.776 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684274939 1020970250 /nfs/dbraw/zinc/97/02/50/1020970250.db2.gz KDOBMRXIVNFTPT-LPHOPBHVSA-N 1 2 349.434 3.667 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000581527344 1021055592 /nfs/dbraw/zinc/05/55/92/1021055592.db2.gz XWDCVXNKZJQIKW-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1coc(C(F)F)c1 ZINC000624527712 1021059434 /nfs/dbraw/zinc/05/94/34/1021059434.db2.gz NPAKKKRPJPNVNI-UHFFFAOYSA-N 1 2 341.383 3.912 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)on1 ZINC000656636400 1021064991 /nfs/dbraw/zinc/06/49/91/1021064991.db2.gz UPIJPSORPIMPLA-YJBOKZPZSA-N 1 2 339.439 3.927 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)on1 ZINC000656636400 1021064999 /nfs/dbraw/zinc/06/49/99/1021064999.db2.gz UPIJPSORPIMPLA-YJBOKZPZSA-N 1 2 339.439 3.927 20 0 EHADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000581581785 1021109074 /nfs/dbraw/zinc/10/90/74/1021109074.db2.gz UDOGZCUBOGMBPZ-KRWDZBQOSA-N 1 2 349.862 3.537 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(CC3CC3)nn2)c2ccccc2)cc1 ZINC000656658839 1021114597 /nfs/dbraw/zinc/11/45/97/1021114597.db2.gz GEDRDICLFDGWIH-OAQYLSRUSA-N 1 2 348.450 3.576 20 0 EHADLO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)C2CC2)o1 ZINC000341217603 1021118856 /nfs/dbraw/zinc/11/88/56/1021118856.db2.gz YGYYXCOUKVRBDJ-ZDUSSCGKSA-N 1 2 348.393 3.708 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000341219902 1021120211 /nfs/dbraw/zinc/12/02/11/1021120211.db2.gz LJFXAASEIYILTF-ZJUUUORDSA-N 1 2 329.322 3.942 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3ccc(OC)cc3)o2)cc1 ZINC000341225298 1021128071 /nfs/dbraw/zinc/12/80/71/1021128071.db2.gz DDWQFHJNETUNCH-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000074859613 1021128804 /nfs/dbraw/zinc/12/88/04/1021128804.db2.gz CZIZEPKLRDOVKM-UHFFFAOYSA-N 1 2 329.425 3.567 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000341229771 1021134455 /nfs/dbraw/zinc/13/44/55/1021134455.db2.gz QKIFPWOCOREQMX-NSHDSACASA-N 1 2 342.468 3.750 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCCCS2)c(C)c1 ZINC000341231831 1021138141 /nfs/dbraw/zinc/13/81/41/1021138141.db2.gz WIWLXLSEIUKILA-MSOLQXFVSA-N 1 2 343.496 3.643 20 0 EHADLO Fc1ccc(CC2C[NH+](Cc3ccc(Br)cn3)C2)cc1 ZINC000656669902 1021140401 /nfs/dbraw/zinc/14/04/01/1021140401.db2.gz YKXAYVBCFSCYOA-UHFFFAOYSA-N 1 2 335.220 3.658 20 0 EHADLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000341244902 1021170060 /nfs/dbraw/zinc/17/00/60/1021170060.db2.gz XPXSCTRMUBDMQP-HNNXBMFYSA-N 1 2 331.485 3.767 20 0 EHADLO COc1ccc(OCc2nc(C[NH+]3CC(C4CCC4)C3)cs2)cc1 ZINC000518439730 1021191676 /nfs/dbraw/zinc/19/16/76/1021191676.db2.gz GHCSVPMEPLFSDI-UHFFFAOYSA-N 1 2 344.480 3.963 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)n1C ZINC000341256834 1021212399 /nfs/dbraw/zinc/21/23/99/1021212399.db2.gz FRTFMYFSBPMSMM-XMMPIXPASA-N 1 2 345.512 3.922 20 0 EHADLO Cc1ccsc1[C@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000230950158 1032967081 /nfs/dbraw/zinc/96/70/81/1032967081.db2.gz CCOVRJTUKOMYDV-NSHDSACASA-N 1 2 334.432 3.867 20 0 EHADLO CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2O1 ZINC000427265884 1021279821 /nfs/dbraw/zinc/27/98/21/1021279821.db2.gz PSVGIZYVWXPUEG-UHFFFAOYSA-N 1 2 347.418 3.749 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000644905719 1021286588 /nfs/dbraw/zinc/28/65/88/1021286588.db2.gz KQTODPCBQMDTOH-LRMJVLKBSA-N 1 2 337.467 3.646 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)c1c[nH]c2ncccc12 ZINC000341282390 1021288398 /nfs/dbraw/zinc/28/83/98/1021288398.db2.gz IKFPRHGLTPSOCV-QWRGUYRKSA-N 1 2 329.350 3.763 20 0 EHADLO CC[C@@H]1C[C@@]1(NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C)c1 ZINC000507498673 1021298454 /nfs/dbraw/zinc/29/84/54/1021298454.db2.gz QZEODUGQMXWSGR-UTKZUKDTSA-N 1 2 348.450 3.767 20 0 EHADLO CC[C@H]1C[C@]1(NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C)c1 ZINC000507498671 1021298578 /nfs/dbraw/zinc/29/85/78/1021298578.db2.gz QZEODUGQMXWSGR-LAUBAEHRSA-N 1 2 348.450 3.767 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1c(C2CC2)cnn1C ZINC000656771712 1021310118 /nfs/dbraw/zinc/31/01/18/1021310118.db2.gz AHVXTWQVVGNVSV-UHFFFAOYSA-N 1 2 329.835 3.933 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCCC34CCCC4)[nH+]c12 ZINC000516362010 1021324279 /nfs/dbraw/zinc/32/42/79/1021324279.db2.gz YWQIMBOXDFCMEZ-QGZVFWFLSA-N 1 2 325.456 3.804 20 0 EHADLO COc1cc(CNc2c[nH+]cc3c2CCCC3)cc(OC)c1OC ZINC000656775833 1021326705 /nfs/dbraw/zinc/32/67/05/1021326705.db2.gz CBQOGMJUHYDUHT-UHFFFAOYSA-N 1 2 328.412 3.598 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ccc(C(F)(F)F)cn2)c(C)[nH+]1 ZINC000341295294 1021369073 /nfs/dbraw/zinc/36/90/73/1021369073.db2.gz WLXZIJZYHOJCOS-QFIPXVFZSA-N 1 2 328.359 3.561 20 0 EHADLO CCCCSCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341294522 1021369594 /nfs/dbraw/zinc/36/95/94/1021369594.db2.gz ATSLZDOWYZEFSO-UHFFFAOYSA-N 1 2 337.533 3.825 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](CC(C)C)c2ccccc2OC)s1 ZINC000894323470 1021370810 /nfs/dbraw/zinc/37/08/10/1021370810.db2.gz MHLWFOYHOPLGQI-CQSZACIVSA-N 1 2 348.468 3.815 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(SC3CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000341300623 1021389718 /nfs/dbraw/zinc/38/97/18/1021389718.db2.gz FTLZDHYSBFEHJP-KDOFPFPSSA-N 1 2 341.480 3.861 20 0 EHADLO O=C(c1cccc2cnccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341307045 1021405914 /nfs/dbraw/zinc/40/59/14/1021405914.db2.gz JVSJJFNLOCWDKB-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000426373454 1021408134 /nfs/dbraw/zinc/40/81/34/1021408134.db2.gz SIRICLKMBHHIKO-UHFFFAOYSA-N 1 2 328.641 3.766 20 0 EHADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000426373454 1021408143 /nfs/dbraw/zinc/40/81/43/1021408143.db2.gz SIRICLKMBHHIKO-UHFFFAOYSA-N 1 2 328.641 3.766 20 0 EHADLO COc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000341316704 1021411635 /nfs/dbraw/zinc/41/16/35/1021411635.db2.gz RXDPSZFQXJRGGI-UHFFFAOYSA-N 1 2 341.455 3.533 20 0 EHADLO O=C(CCCc1cccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341312452 1021413830 /nfs/dbraw/zinc/41/38/30/1021413830.db2.gz NEXQWPVAZYAHBO-UHFFFAOYSA-N 1 2 345.512 3.986 20 0 EHADLO CC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1cc(F)ccc1F ZINC000607083075 1032980534 /nfs/dbraw/zinc/98/05/34/1032980534.db2.gz NSBRVPJSZGZVGQ-KRWDZBQOSA-N 1 2 343.377 3.731 20 0 EHADLO CCCc1csc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)n1 ZINC000426393612 1021459724 /nfs/dbraw/zinc/45/97/24/1021459724.db2.gz GFTFVYXWSUOWHP-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO CCCc1csc(C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)n1 ZINC000426393612 1021459733 /nfs/dbraw/zinc/45/97/33/1021459733.db2.gz GFTFVYXWSUOWHP-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1O ZINC000437000516 1021470784 /nfs/dbraw/zinc/47/07/84/1021470784.db2.gz IGZBPPSQSHHEJJ-UHFFFAOYSA-N 1 2 333.391 3.844 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cnn1C(C)C ZINC000276491668 1021483032 /nfs/dbraw/zinc/48/30/32/1021483032.db2.gz HZYWPQFYZDHOKI-ZDUSSCGKSA-N 1 2 334.464 3.926 20 0 EHADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000506601154 1021503643 /nfs/dbraw/zinc/50/36/43/1021503643.db2.gz CZXJFURMEAFKQA-LJQANCHMSA-N 1 2 346.515 3.561 20 0 EHADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000506601154 1021503655 /nfs/dbraw/zinc/50/36/55/1021503655.db2.gz CZXJFURMEAFKQA-LJQANCHMSA-N 1 2 346.515 3.561 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516581956 1021570734 /nfs/dbraw/zinc/57/07/34/1021570734.db2.gz JZBKKTMVABLVKR-ZDUSSCGKSA-N 1 2 325.412 3.556 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516581956 1021570749 /nfs/dbraw/zinc/57/07/49/1021570749.db2.gz JZBKKTMVABLVKR-ZDUSSCGKSA-N 1 2 325.412 3.556 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518841900 1021619275 /nfs/dbraw/zinc/61/92/75/1021619275.db2.gz MVDDMBMSAMDDIH-APWZRJJASA-N 1 2 325.456 3.764 20 0 EHADLO COc1ccc(C(C)(C)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000164590154 1021636106 /nfs/dbraw/zinc/63/61/06/1021636106.db2.gz HKLBFFWXSVURHF-UHFFFAOYSA-N 1 2 335.407 3.797 20 0 EHADLO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ncccn2)CCC3)cc1 ZINC000581737609 1021654623 /nfs/dbraw/zinc/65/46/23/1021654623.db2.gz MOLFIPUFEBTCOK-AWEZNQCLSA-N 1 2 340.427 3.906 20 0 EHADLO c1ccc2c(c1)sc1ncnc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c21 ZINC000440637585 1021668867 /nfs/dbraw/zinc/66/88/67/1021668867.db2.gz OBHIGDBKNCXVQG-CQSZACIVSA-N 1 2 348.431 3.897 20 0 EHADLO Cc1ccc(SCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000518905944 1021676045 /nfs/dbraw/zinc/67/60/45/1021676045.db2.gz MBBFNKABTVNYKA-UHFFFAOYSA-N 1 2 328.485 3.980 20 0 EHADLO Cc1ccc(SCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000518905944 1021676051 /nfs/dbraw/zinc/67/60/51/1021676051.db2.gz MBBFNKABTVNYKA-UHFFFAOYSA-N 1 2 328.485 3.980 20 0 EHADLO C[C@H](CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000519829154 1021708871 /nfs/dbraw/zinc/70/88/71/1021708871.db2.gz VUBSJRCMNNOTOO-QMTHXVAHSA-N 1 2 345.752 3.907 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@@H](C)O1 ZINC000439772005 1021712264 /nfs/dbraw/zinc/71/22/64/1021712264.db2.gz FNAAYRMUONWFRS-HIFRSBDPSA-N 1 2 335.444 3.790 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@@H](C)O1 ZINC000439772005 1021712283 /nfs/dbraw/zinc/71/22/83/1021712283.db2.gz FNAAYRMUONWFRS-HIFRSBDPSA-N 1 2 335.444 3.790 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2c(NC(=O)OC(C)(C)C)cnn2C)cc1 ZINC000891474247 1021712765 /nfs/dbraw/zinc/71/27/65/1021712765.db2.gz NRICIGZBDUKPRZ-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2c(NC(=O)OC(C)(C)C)cnn2C)cc1 ZINC000891474247 1021712782 /nfs/dbraw/zinc/71/27/82/1021712782.db2.gz NRICIGZBDUKPRZ-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1nc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000519846729 1021720971 /nfs/dbraw/zinc/72/09/71/1021720971.db2.gz WDVRJVKAIPIFGG-SBHAEUEKSA-N 1 2 349.478 3.673 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2ccc(C)cc21 ZINC000684420037 1021737479 /nfs/dbraw/zinc/73/74/79/1021737479.db2.gz HAMCISUIHCGETO-UHFFFAOYSA-N 1 2 341.361 3.521 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439827760 1021761251 /nfs/dbraw/zinc/76/12/51/1021761251.db2.gz CHNUTJAYNKHRGE-QGZVFWFLSA-N 1 2 325.456 3.520 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1c(F)cccc1F)CC3 ZINC000729480519 1021762721 /nfs/dbraw/zinc/76/27/21/1021762721.db2.gz DBGVBKHKOJQJJT-LJQANCHMSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1c(F)cccc1F)CC3 ZINC000729480519 1021762738 /nfs/dbraw/zinc/76/27/38/1021762738.db2.gz DBGVBKHKOJQJJT-LJQANCHMSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)CC2CC2)c(C)c1 ZINC000440808024 1021800457 /nfs/dbraw/zinc/80/04/57/1021800457.db2.gz WWBWBIAQYRSLTP-APWZRJJASA-N 1 2 340.471 3.729 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2ccc(=O)[nH]c21 ZINC000341416997 1021802421 /nfs/dbraw/zinc/80/24/21/1021802421.db2.gz CXVFVFKUFHBHJX-UHFFFAOYSA-N 1 2 348.337 3.518 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439926027 1021832696 /nfs/dbraw/zinc/83/26/96/1021832696.db2.gz HMXCSZASKSNWIX-ZDUSSCGKSA-N 1 2 349.837 3.677 20 0 EHADLO CCC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000516898839 1021836829 /nfs/dbraw/zinc/83/68/29/1021836829.db2.gz JXGPLPGDFCHTIC-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000520043424 1021896440 /nfs/dbraw/zinc/89/64/40/1021896440.db2.gz BANVZUGHSZRWSZ-AWEZNQCLSA-N 1 2 346.833 3.998 20 0 EHADLO Cc1csc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1Cl ZINC000276587365 1021909431 /nfs/dbraw/zinc/90/94/31/1021909431.db2.gz PIAHYLBDQSWDAO-UHFFFAOYSA-N 1 2 335.860 3.635 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000276594681 1021941481 /nfs/dbraw/zinc/94/14/81/1021941481.db2.gz NOHWXBHLBWJIDG-QGZVFWFLSA-N 1 2 329.444 3.652 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673438 1033017479 /nfs/dbraw/zinc/01/74/79/1033017479.db2.gz OVEFNSBETQCMQS-UFBFGSQYSA-N 1 2 346.151 3.878 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673438 1033017494 /nfs/dbraw/zinc/01/74/94/1033017494.db2.gz OVEFNSBETQCMQS-UFBFGSQYSA-N 1 2 346.151 3.878 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520172539 1021988766 /nfs/dbraw/zinc/98/87/66/1021988766.db2.gz NCYFZAMOYZQSRM-INIZCTEOSA-N 1 2 328.431 3.743 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520172539 1021988776 /nfs/dbraw/zinc/98/87/76/1021988776.db2.gz NCYFZAMOYZQSRM-INIZCTEOSA-N 1 2 328.431 3.743 20 0 EHADLO CCCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H](CC)c1ccccc1 ZINC000548280673 1022005296 /nfs/dbraw/zinc/00/52/96/1022005296.db2.gz LYZBFVTZECICFW-QZTJIDSGSA-N 1 2 340.471 3.771 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)C/C=C/c1ccccc1OC ZINC000506788278 1022009498 /nfs/dbraw/zinc/00/94/98/1022009498.db2.gz NVPFTAWOJCBXMN-FMIVXFBMSA-N 1 2 338.451 3.841 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)C/C=C/c1ccccc1OC ZINC000506788278 1022009504 /nfs/dbraw/zinc/00/95/04/1022009504.db2.gz NVPFTAWOJCBXMN-FMIVXFBMSA-N 1 2 338.451 3.841 20 0 EHADLO CC[N@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccc(C)cc1 ZINC000520183247 1022013137 /nfs/dbraw/zinc/01/31/37/1022013137.db2.gz OAWKBSVFVBRQMY-UHFFFAOYSA-N 1 2 335.455 3.610 20 0 EHADLO CC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccc(C)cc1 ZINC000520183247 1022013155 /nfs/dbraw/zinc/01/31/55/1022013155.db2.gz OAWKBSVFVBRQMY-UHFFFAOYSA-N 1 2 335.455 3.610 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(OC)no2)c1 ZINC000925315960 1033025095 /nfs/dbraw/zinc/02/50/95/1033025095.db2.gz ULUZRVJEPDJUJI-OLZOCXBDSA-N 1 2 331.416 3.519 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000517127946 1022051802 /nfs/dbraw/zinc/05/18/02/1022051802.db2.gz IFUSCCLTYYWQAB-MDZRGWNJSA-N 1 2 345.487 3.780 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](c2cccnc2)C1 ZINC000520223283 1022054131 /nfs/dbraw/zinc/05/41/31/1022054131.db2.gz UFGAYFZXNXGHAG-INIZCTEOSA-N 1 2 347.418 3.800 20 0 EHADLO O=C(CCC(F)F)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000684439277 1022062988 /nfs/dbraw/zinc/06/29/88/1022062988.db2.gz SXHZHMWSQFIUGY-ZDUSSCGKSA-N 1 2 348.796 3.605 20 0 EHADLO O=C(CCC(F)F)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000684439277 1022063004 /nfs/dbraw/zinc/06/30/04/1022063004.db2.gz SXHZHMWSQFIUGY-ZDUSSCGKSA-N 1 2 348.796 3.605 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441244248 1022084777 /nfs/dbraw/zinc/08/47/77/1022084777.db2.gz KCOYZRAIBLOHLW-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441244248 1022084796 /nfs/dbraw/zinc/08/47/96/1022084796.db2.gz KCOYZRAIBLOHLW-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)cc1 ZINC000506818709 1022085547 /nfs/dbraw/zinc/08/55/47/1022085547.db2.gz XRRYXMJYWRGWSQ-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)cc1 ZINC000506818709 1022085564 /nfs/dbraw/zinc/08/55/64/1022085564.db2.gz XRRYXMJYWRGWSQ-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000426635597 1022116346 /nfs/dbraw/zinc/11/63/46/1022116346.db2.gz WYHYOJPAHPKABZ-GASCZTMLSA-N 1 2 348.516 3.783 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001143580706 1022134539 /nfs/dbraw/zinc/13/45/39/1022134539.db2.gz SUSNZMXRDYYGOC-IBGZPJMESA-N 1 2 327.399 3.842 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001143580706 1022134543 /nfs/dbraw/zinc/13/45/43/1022134543.db2.gz SUSNZMXRDYYGOC-IBGZPJMESA-N 1 2 327.399 3.842 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cs1 ZINC000520350499 1022167001 /nfs/dbraw/zinc/16/70/01/1022167001.db2.gz NYNJEYIPMTUBJB-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2c2ccccc2C)cs1 ZINC000520350499 1022167004 /nfs/dbraw/zinc/16/70/04/1022167004.db2.gz NYNJEYIPMTUBJB-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349543900 1022169449 /nfs/dbraw/zinc/16/94/49/1022169449.db2.gz JFKCGSQJCQHJNZ-ZDUSSCGKSA-N 1 2 336.526 3.978 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349543900 1022169459 /nfs/dbraw/zinc/16/94/59/1022169459.db2.gz JFKCGSQJCQHJNZ-ZDUSSCGKSA-N 1 2 336.526 3.978 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(C(C)(C)C)ccc2=O)CC[C@@H]1c1ccccc1 ZINC000172937127 1033035518 /nfs/dbraw/zinc/03/55/18/1033035518.db2.gz YNQWCWGJZBLASC-AEFFLSMTSA-N 1 2 339.483 3.624 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)CC[C@@H]1c1ccccc1 ZINC000172937127 1033035528 /nfs/dbraw/zinc/03/55/28/1033035528.db2.gz YNQWCWGJZBLASC-AEFFLSMTSA-N 1 2 339.483 3.624 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000126283585 1022196184 /nfs/dbraw/zinc/19/61/84/1022196184.db2.gz RIAUVUSJTJJUFT-DOTOQJQBSA-N 1 2 341.455 3.745 20 0 EHADLO CCC[C@@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OCC ZINC000441386505 1022203501 /nfs/dbraw/zinc/20/35/01/1022203501.db2.gz ORWHMUOHZGPTQN-RTBURBONSA-N 1 2 343.471 3.563 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CC2CCC1CC2 ZINC000520414287 1022217243 /nfs/dbraw/zinc/21/72/43/1022217243.db2.gz OLEOUYWASDPUMH-USSHROBNSA-N 1 2 344.503 3.576 20 0 EHADLO CC(C)c1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045976912 1022251522 /nfs/dbraw/zinc/25/15/22/1022251522.db2.gz FYGORAHZNGVLCQ-UHFFFAOYSA-N 1 2 338.455 3.996 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000187846057 1022254559 /nfs/dbraw/zinc/25/45/59/1022254559.db2.gz XLSWECPHJDOKAA-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000092973293 1022280078 /nfs/dbraw/zinc/28/00/78/1022280078.db2.gz VIAZLBIDJIZLHS-UHFFFAOYSA-N 1 2 332.831 3.654 20 0 EHADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804163 1022285620 /nfs/dbraw/zinc/28/56/20/1022285620.db2.gz KZRRYFUBIFCADF-UFBFGSQYSA-N 1 2 327.268 3.679 20 0 EHADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804163 1022285626 /nfs/dbraw/zinc/28/56/26/1022285626.db2.gz KZRRYFUBIFCADF-UFBFGSQYSA-N 1 2 327.268 3.679 20 0 EHADLO Fc1c(Cl)cc(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001141596700 1022308406 /nfs/dbraw/zinc/30/84/06/1022308406.db2.gz TYHGFPXEMOVGPI-KOLCDFICSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1c(Cl)cc(Br)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001141596700 1022308418 /nfs/dbraw/zinc/30/84/18/1022308418.db2.gz TYHGFPXEMOVGPI-KOLCDFICSA-N 1 2 348.643 3.710 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c1 ZINC000143366265 1033044897 /nfs/dbraw/zinc/04/48/97/1033044897.db2.gz HGPLPRCRKLASNK-UHFFFAOYSA-N 1 2 348.381 3.731 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)sc1C(C)(C)C ZINC001307456753 1022344006 /nfs/dbraw/zinc/34/40/06/1022344006.db2.gz QFYAETKHYAFDKA-ZYHUDNBSSA-N 1 2 336.423 3.637 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)sc1C(C)(C)C ZINC001307456753 1022344023 /nfs/dbraw/zinc/34/40/23/1022344023.db2.gz QFYAETKHYAFDKA-ZYHUDNBSSA-N 1 2 336.423 3.637 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2cc(C)sc2C)CC1 ZINC000341582137 1022387512 /nfs/dbraw/zinc/38/75/12/1022387512.db2.gz IAUONMPVEGCVJT-UHFFFAOYSA-N 1 2 330.497 3.691 20 0 EHADLO OCC[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000438104543 1022390741 /nfs/dbraw/zinc/39/07/41/1022390741.db2.gz LZEUIWDWQOPPLJ-ZDUSSCGKSA-N 1 2 339.810 3.659 20 0 EHADLO OCC[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000438104543 1022390755 /nfs/dbraw/zinc/39/07/55/1022390755.db2.gz LZEUIWDWQOPPLJ-ZDUSSCGKSA-N 1 2 339.810 3.659 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)c3ccc(F)cc3F)ccc2[nH+]1 ZINC000438128178 1022408135 /nfs/dbraw/zinc/40/81/35/1022408135.db2.gz FZRKOQLBBVWKCS-NSHDSACASA-N 1 2 344.365 3.846 20 0 EHADLO CCC1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000458891085 1022438917 /nfs/dbraw/zinc/43/89/17/1022438917.db2.gz UXNWITLCIUGDMO-UHFFFAOYSA-N 1 2 332.835 3.658 20 0 EHADLO CCc1onc(C)c1CNC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000894515190 1022442243 /nfs/dbraw/zinc/44/22/43/1022442243.db2.gz SFVUBRZELWXDBH-IBGZPJMESA-N 1 2 345.487 3.725 20 0 EHADLO Cc1sc2nc(C)nc(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1C ZINC000328740857 1022477595 /nfs/dbraw/zinc/47/75/95/1022477595.db2.gz NHDOGPGBPPJJAA-AWEZNQCLSA-N 1 2 339.468 3.702 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H](C(F)(F)F)O1 ZINC001167491069 1022479465 /nfs/dbraw/zinc/47/94/65/1022479465.db2.gz KQZMHSHCMIWFEQ-BSWAZPDLSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H](C(F)(F)F)O1 ZINC001167491069 1022479472 /nfs/dbraw/zinc/47/94/72/1022479472.db2.gz KQZMHSHCMIWFEQ-BSWAZPDLSA-N 1 2 343.389 3.948 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000303815062 1022518209 /nfs/dbraw/zinc/51/82/09/1022518209.db2.gz LTBNUDHFRQQGNP-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000303815062 1022518217 /nfs/dbraw/zinc/51/82/17/1022518217.db2.gz LTBNUDHFRQQGNP-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO Cc1cc[nH+]c(N)c1CN(C)Cc1ccc(F)cc1Br ZINC000894553560 1022541521 /nfs/dbraw/zinc/54/15/21/1022541521.db2.gz MMMUWLMLXQZAEB-UHFFFAOYSA-N 1 2 338.224 3.506 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC000607252683 1033065237 /nfs/dbraw/zinc/06/52/37/1033065237.db2.gz PNELWBKILWEWHK-RHSMWYFYSA-N 1 2 348.397 3.659 20 0 EHADLO c1nc2c(s1)C[N@H+](Cc1ccccc1OCc1ccncc1)CC2 ZINC000438349935 1022572143 /nfs/dbraw/zinc/57/21/43/1022572143.db2.gz CQKBZQQBDWFKGY-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO c1nc2c(s1)C[N@@H+](Cc1ccccc1OCc1ccncc1)CC2 ZINC000438349935 1022572162 /nfs/dbraw/zinc/57/21/62/1022572162.db2.gz CQKBZQQBDWFKGY-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000517718093 1022589195 /nfs/dbraw/zinc/58/91/95/1022589195.db2.gz UMNIYCBDQIEWDI-LJQANCHMSA-N 1 2 336.435 3.731 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000517718093 1022589205 /nfs/dbraw/zinc/58/92/05/1022589205.db2.gz UMNIYCBDQIEWDI-LJQANCHMSA-N 1 2 336.435 3.731 20 0 EHADLO Cn1ncc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1C1CC1 ZINC000891771066 1022607318 /nfs/dbraw/zinc/60/73/18/1022607318.db2.gz OQLAMAGAZKWZSG-IBGZPJMESA-N 1 2 349.482 3.911 20 0 EHADLO Cn1ncc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1C1CC1 ZINC000891771066 1022607325 /nfs/dbraw/zinc/60/73/25/1022607325.db2.gz OQLAMAGAZKWZSG-IBGZPJMESA-N 1 2 349.482 3.911 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC000891772373 1022618084 /nfs/dbraw/zinc/61/80/84/1022618084.db2.gz MPKZNINDJIBUIE-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC000891772373 1022618092 /nfs/dbraw/zinc/61/80/92/1022618092.db2.gz MPKZNINDJIBUIE-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CC(C)(C)C)n2)O1 ZINC000665007068 1022683954 /nfs/dbraw/zinc/68/39/54/1022683954.db2.gz HZTWTNLWWVWCPW-ZBFHGGJFSA-N 1 2 329.444 3.620 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CC(C)(C)C)n2)O1 ZINC000665007068 1022683961 /nfs/dbraw/zinc/68/39/61/1022683961.db2.gz HZTWTNLWWVWCPW-ZBFHGGJFSA-N 1 2 329.444 3.620 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CCC1 ZINC000665012537 1022722083 /nfs/dbraw/zinc/72/20/83/1022722083.db2.gz QTHRRNSLQHFYHP-VKJFTORMSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CCC1 ZINC000665012537 1022722090 /nfs/dbraw/zinc/72/20/90/1022722090.db2.gz QTHRRNSLQHFYHP-VKJFTORMSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CCC1(F)F ZINC000519568757 1022794876 /nfs/dbraw/zinc/79/48/76/1022794876.db2.gz LXBKYCWHWZKUQI-SECBINFHSA-N 1 2 344.203 3.803 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CCC1(F)F ZINC000519568757 1022794890 /nfs/dbraw/zinc/79/48/90/1022794890.db2.gz LXBKYCWHWZKUQI-SECBINFHSA-N 1 2 344.203 3.803 20 0 EHADLO CC1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCC1 ZINC000426077816 1022855874 /nfs/dbraw/zinc/85/58/74/1022855874.db2.gz PZGUBSQWDPJIOF-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO CC1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCC1 ZINC000426077816 1022855889 /nfs/dbraw/zinc/85/58/89/1022855889.db2.gz PZGUBSQWDPJIOF-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000426087291 1022867541 /nfs/dbraw/zinc/86/75/41/1022867541.db2.gz VSFFITYETFDPIB-MJBXVCDLSA-N 1 2 346.397 3.597 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000188813950 1022905758 /nfs/dbraw/zinc/90/57/58/1022905758.db2.gz DEOOJHSGTFPMLB-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000188813950 1022905773 /nfs/dbraw/zinc/90/57/73/1022905773.db2.gz DEOOJHSGTFPMLB-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc([C@@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699160 1022908585 /nfs/dbraw/zinc/90/85/85/1022908585.db2.gz VEAJZIZNQUGNMR-AUUYWEPGSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc([C@@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699160 1022908596 /nfs/dbraw/zinc/90/85/96/1022908596.db2.gz VEAJZIZNQUGNMR-AUUYWEPGSA-N 1 2 326.440 3.541 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933767917 1022959117 /nfs/dbraw/zinc/95/91/17/1022959117.db2.gz OFSKNGGTIWQQKH-PXNSSMCTSA-N 1 2 347.462 3.932 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933768507 1022961016 /nfs/dbraw/zinc/96/10/16/1022961016.db2.gz RODMDGBTWFBZTQ-SJQORLFUSA-N 1 2 337.467 3.502 20 0 EHADLO Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cccc4[nH+]ccn43)nc12 ZINC000178944094 1023000944 /nfs/dbraw/zinc/00/09/44/1023000944.db2.gz VQRCGPNOJQZTEF-UVTDQMKNSA-N 1 2 336.782 3.616 20 0 EHADLO Fc1cccc(C2([NH2+]Cc3ccn(-c4ccccc4F)n3)CC2)c1 ZINC000189338050 1023009931 /nfs/dbraw/zinc/00/99/31/1023009931.db2.gz SIRGXNRGXNGCAQ-UHFFFAOYSA-N 1 2 325.362 3.929 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(Br)cnn1C ZINC000426162601 1023020566 /nfs/dbraw/zinc/02/05/66/1023020566.db2.gz SIXZAYLYGWHCSB-AWEZNQCLSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1c(Br)cnn1C ZINC000426162601 1023020580 /nfs/dbraw/zinc/02/05/80/1023020580.db2.gz SIXZAYLYGWHCSB-AWEZNQCLSA-N 1 2 334.261 3.520 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000506948775 1023033461 /nfs/dbraw/zinc/03/34/61/1023033461.db2.gz YBWFFPDBIMUFQV-UHFFFAOYSA-N 1 2 326.843 3.702 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000506948775 1023033473 /nfs/dbraw/zinc/03/34/73/1023033473.db2.gz YBWFFPDBIMUFQV-UHFFFAOYSA-N 1 2 326.843 3.702 20 0 EHADLO CC[N@@H+](Cc1cccc(O)c1Cl)C[C@H]1COc2ccccc2O1 ZINC000506977691 1023058458 /nfs/dbraw/zinc/05/84/58/1023058458.db2.gz SSSYSXAXIYGLBZ-AWEZNQCLSA-N 1 2 333.815 3.708 20 0 EHADLO CC[N@H+](Cc1cccc(O)c1Cl)C[C@H]1COc2ccccc2O1 ZINC000506977691 1023058464 /nfs/dbraw/zinc/05/84/64/1023058464.db2.gz SSSYSXAXIYGLBZ-AWEZNQCLSA-N 1 2 333.815 3.708 20 0 EHADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000343274871 1023064863 /nfs/dbraw/zinc/06/48/63/1023064863.db2.gz IHRGUMNVCKUAPA-UHFFFAOYSA-N 1 2 345.406 3.575 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH+]2CCC(O)(C(F)(F)F)CC2)o1 ZINC000536375120 1023089715 /nfs/dbraw/zinc/08/97/15/1023089715.db2.gz OSWNLBIJZMMLCU-UHFFFAOYSA-N 1 2 340.345 3.539 20 0 EHADLO Cc1noc(C)c1[C@@H](C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000129503399 1023093276 /nfs/dbraw/zinc/09/32/76/1023093276.db2.gz BNMNHPRSKGUWOO-LBPRGKRZSA-N 1 2 348.410 3.636 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[C@@H]1C ZINC000431005321 1023098423 /nfs/dbraw/zinc/09/84/23/1023098423.db2.gz KOTJCSCZKZKLFB-ILOCAZANSA-N 1 2 332.492 3.548 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)c2cccnc2)c(C)c1 ZINC000441477371 1023114851 /nfs/dbraw/zinc/11/48/51/1023114851.db2.gz BRAOFRQMTJOKDS-YLJYHZDGSA-N 1 2 348.450 3.556 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000189869694 1023123137 /nfs/dbraw/zinc/12/31/37/1023123137.db2.gz SDYBONDZGGYXKV-HNNXBMFYSA-N 1 2 331.410 3.547 20 0 EHADLO Cc1sccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000507102699 1023130716 /nfs/dbraw/zinc/13/07/16/1023130716.db2.gz KDIGIWDSDHIZEP-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000426232155 1023145327 /nfs/dbraw/zinc/14/53/27/1023145327.db2.gz LMYAVULXMAZBRW-UHFFFAOYSA-N 1 2 342.773 3.587 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccccc1-c1ccnn1C ZINC000431038878 1023165826 /nfs/dbraw/zinc/16/58/26/1023165826.db2.gz FTYMYSIQBUAJBU-UHFFFAOYSA-N 1 2 349.413 3.630 20 0 EHADLO CC(C)c1cc(NC[C@H](CCO)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000536390732 1023184971 /nfs/dbraw/zinc/18/49/71/1023184971.db2.gz NZWSAWTWRTWBGK-KRWDZBQOSA-N 1 2 327.472 3.723 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(C(C)C)cs1 ZINC000190433899 1023200906 /nfs/dbraw/zinc/20/09/06/1023200906.db2.gz GQVBPRZRSNOJQD-UHFFFAOYSA-N 1 2 349.504 3.970 20 0 EHADLO CSCCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439030561 1023234474 /nfs/dbraw/zinc/23/44/74/1023234474.db2.gz VCCWBOOLFQEBQT-UHFFFAOYSA-N 1 2 344.484 3.761 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@](C)(Cc2ccccc2)C2CC2)c[nH+]1 ZINC000459072174 1023238942 /nfs/dbraw/zinc/23/89/42/1023238942.db2.gz HTWXJXGAQKLPRE-OAQYLSRUSA-N 1 2 337.467 3.909 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000459081405 1023243412 /nfs/dbraw/zinc/24/34/12/1023243412.db2.gz QTKBMTFHXDEYCH-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c[nH+]1 ZINC000459074323 1023248900 /nfs/dbraw/zinc/24/89/00/1023248900.db2.gz KCVHWENJBTXVQB-SUMWQHHRSA-N 1 2 327.428 3.974 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)nc1 ZINC000665084227 1023270094 /nfs/dbraw/zinc/27/00/94/1023270094.db2.gz ZDWBGKQIGPQPBT-QGZVFWFLSA-N 1 2 336.439 3.750 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000602759084 1033130370 /nfs/dbraw/zinc/13/03/70/1033130370.db2.gz KCOCKYXGXWGPJY-CYBMUJFWSA-N 1 2 330.428 3.952 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000602759084 1033130381 /nfs/dbraw/zinc/13/03/81/1033130381.db2.gz KCOCKYXGXWGPJY-CYBMUJFWSA-N 1 2 330.428 3.952 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2ccccn21)[C@@H](CCO)c1ccccc1 ZINC000093442365 1023483124 /nfs/dbraw/zinc/48/31/24/1023483124.db2.gz DJTVMSUWIIWWPP-HNNXBMFYSA-N 1 2 329.831 3.543 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2ccccn21)[C@@H](CCO)c1ccccc1 ZINC000093442365 1023483129 /nfs/dbraw/zinc/48/31/29/1023483129.db2.gz DJTVMSUWIIWWPP-HNNXBMFYSA-N 1 2 329.831 3.543 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3cccnc3s2)cc1OC ZINC000341873900 1023505406 /nfs/dbraw/zinc/50/54/06/1023505406.db2.gz HXHTUGGTBVSGOR-SNVBAGLBSA-N 1 2 347.415 3.698 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)c2ccc(Br)s2)c(C)c[nH+]1 ZINC000535748615 1023605009 /nfs/dbraw/zinc/60/50/09/1023605009.db2.gz OENOKDSXQAIOBY-SNVBAGLBSA-N 1 2 339.258 3.687 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c[nH+]1 ZINC000535748965 1023605450 /nfs/dbraw/zinc/60/54/50/1023605450.db2.gz ZUOASYDFHYYXDY-OAHLLOKOSA-N 1 2 326.440 3.824 20 0 EHADLO Cc1cc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)c(C)c[nH+]1 ZINC000535774321 1023624366 /nfs/dbraw/zinc/62/43/66/1023624366.db2.gz QRQMMJHXDSTDDU-UHFFFAOYSA-N 1 2 341.430 3.746 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@H](C)[NH+]3CCSCC3)ccc21 ZINC000341930375 1023703428 /nfs/dbraw/zinc/70/34/28/1023703428.db2.gz LPNPKJGYXCNAQM-HNNXBMFYSA-N 1 2 345.512 3.673 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277024010 1023706221 /nfs/dbraw/zinc/70/62/21/1023706221.db2.gz RKZFUXPIZWVIBC-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccc3)C2)sc1C ZINC000341982365 1023734000 /nfs/dbraw/zinc/73/40/00/1023734000.db2.gz RPHWYEIFFJCJSJ-CQSZACIVSA-N 1 2 341.480 3.876 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccc3)C2)sc1C ZINC000341982365 1023734011 /nfs/dbraw/zinc/73/40/11/1023734011.db2.gz RPHWYEIFFJCJSJ-CQSZACIVSA-N 1 2 341.480 3.876 20 0 EHADLO CC(=O)C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000386476104 1023740464 /nfs/dbraw/zinc/74/04/64/1023740464.db2.gz HTKOBQTVLUKHII-UHFFFAOYSA-N 1 2 330.653 3.904 20 0 EHADLO CCCCn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1CC ZINC000277114626 1023773482 /nfs/dbraw/zinc/77/34/82/1023773482.db2.gz YKOMWWMXHDAQAL-UHFFFAOYSA-N 1 2 337.427 3.684 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1Cc3ccc(Cl)cc3C1)C2 ZINC000458264381 1023821383 /nfs/dbraw/zinc/82/13/83/1023821383.db2.gz BPUJXLNAIGDARS-GFCCVEGCSA-N 1 2 343.858 3.834 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1Cc3ccc(Cl)cc3C1)CC2 ZINC000458264381 1023821386 /nfs/dbraw/zinc/82/13/86/1023821386.db2.gz BPUJXLNAIGDARS-GFCCVEGCSA-N 1 2 343.858 3.834 20 0 EHADLO CCCC1(c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)CCC1 ZINC000544999057 1023839474 /nfs/dbraw/zinc/83/94/74/1023839474.db2.gz KDOCGWFCJVLJRQ-UHFFFAOYSA-N 1 2 341.455 3.791 20 0 EHADLO COCC[N@H+](Cn1nc(-c2ccccc2)oc1=S)C1CCCC1 ZINC000065188496 1023874653 /nfs/dbraw/zinc/87/46/53/1023874653.db2.gz KTAFQGKDKCLVAJ-UHFFFAOYSA-N 1 2 333.457 3.721 20 0 EHADLO COCC[N@@H+](Cn1nc(-c2ccccc2)oc1=S)C1CCCC1 ZINC000065188496 1023874655 /nfs/dbraw/zinc/87/46/55/1023874655.db2.gz KTAFQGKDKCLVAJ-UHFFFAOYSA-N 1 2 333.457 3.721 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]Cc2ccc3c(=O)cc[nH]c3c2)cs1 ZINC000895201542 1023965460 /nfs/dbraw/zinc/96/54/60/1023965460.db2.gz GMELHIRMECSMKX-UHFFFAOYSA-N 1 2 327.453 3.572 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)[nH]1 ZINC000277175295 1023995741 /nfs/dbraw/zinc/99/57/41/1023995741.db2.gz IEQNAQISTDFZCI-NEPJUHHUSA-N 1 2 328.416 3.924 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)sc1C ZINC000513992278 1024019747 /nfs/dbraw/zinc/01/97/47/1024019747.db2.gz PBKCMSSNIRKRPT-HNNXBMFYSA-N 1 2 334.872 3.805 20 0 EHADLO CCC1(CC)C[N@H+](Cc2oc(-c3ccccc3)nc2C)CC[S@]1=O ZINC000602809333 1033182995 /nfs/dbraw/zinc/18/29/95/1033182995.db2.gz AXBFEKDHXIWEDE-XMMPIXPASA-N 1 2 346.496 3.773 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[S@]1=O ZINC000602809333 1033183006 /nfs/dbraw/zinc/18/30/06/1033183006.db2.gz AXBFEKDHXIWEDE-XMMPIXPASA-N 1 2 346.496 3.773 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514000385 1024043399 /nfs/dbraw/zinc/04/33/99/1024043399.db2.gz WYVZUNQCAXLLIF-MRXNPFEDSA-N 1 2 340.810 3.873 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCn1cc[nH+]c1 ZINC000520525150 1024047237 /nfs/dbraw/zinc/04/72/37/1024047237.db2.gz ZKBHSIDZHAIAEL-LMMKCTJWSA-N 1 2 340.471 3.639 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccncc3)n2)ccc1F ZINC000151113412 1024053898 /nfs/dbraw/zinc/05/38/98/1024053898.db2.gz NJIUFZPJBAYYDS-STQMWFEESA-N 1 2 326.375 3.991 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cccc(Cl)c3Cl)[C@H]2C1 ZINC000434474925 1024066425 /nfs/dbraw/zinc/06/64/25/1024066425.db2.gz TXOTUYIXPNBEEG-KBMXLJTQSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cccc(Cl)c3Cl)[C@H]2C1 ZINC000434474925 1024066442 /nfs/dbraw/zinc/06/64/42/1024066442.db2.gz TXOTUYIXPNBEEG-KBMXLJTQSA-N 1 2 344.282 3.804 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592833 1024081291 /nfs/dbraw/zinc/08/12/91/1024081291.db2.gz VWCAZPPAZLQURZ-AWEZNQCLSA-N 1 2 340.414 3.762 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592833 1024081304 /nfs/dbraw/zinc/08/13/04/1024081304.db2.gz VWCAZPPAZLQURZ-AWEZNQCLSA-N 1 2 340.414 3.762 20 0 EHADLO [NH3+][C@@H](c1nc(-c2cc(Cl)cc(Cl)c2)no1)c1ccc(O)cc1 ZINC001204769639 1024112961 /nfs/dbraw/zinc/11/29/61/1024112961.db2.gz OZCMXYMFRVHLOW-CYBMUJFWSA-N 1 2 336.178 3.797 20 0 EHADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)sc1-c1ccc(F)cc1 ZINC000522258572 1024118880 /nfs/dbraw/zinc/11/88/80/1024118880.db2.gz PSPNCINLKNLCBV-UHFFFAOYSA-N 1 2 341.411 3.756 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000514091844 1024125829 /nfs/dbraw/zinc/12/58/29/1024125829.db2.gz YRMSYFHCDLORBH-ROUUACIJSA-N 1 2 347.842 3.874 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000514091844 1024125838 /nfs/dbraw/zinc/12/58/38/1024125838.db2.gz YRMSYFHCDLORBH-ROUUACIJSA-N 1 2 347.842 3.874 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000514113349 1024146896 /nfs/dbraw/zinc/14/68/96/1024146896.db2.gz RXTYXCMEUNLFEC-IRXDYDNUSA-N 1 2 340.467 3.783 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000514113349 1024146903 /nfs/dbraw/zinc/14/69/03/1024146903.db2.gz RXTYXCMEUNLFEC-IRXDYDNUSA-N 1 2 340.467 3.783 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2cccc(C)c2)CC1 ZINC000277190878 1024148691 /nfs/dbraw/zinc/14/86/91/1024148691.db2.gz BRSGJOZHNSSEOT-UHFFFAOYSA-N 1 2 339.483 3.724 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000349908425 1024190299 /nfs/dbraw/zinc/19/02/99/1024190299.db2.gz JPRYXGZTACLBHR-IBGZPJMESA-N 1 2 334.419 3.666 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000349908425 1024190304 /nfs/dbraw/zinc/19/03/04/1024190304.db2.gz JPRYXGZTACLBHR-IBGZPJMESA-N 1 2 334.419 3.666 20 0 EHADLO Brc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000514183292 1024191288 /nfs/dbraw/zinc/19/12/88/1024191288.db2.gz SZNSAJFHECBYHM-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000548518522 1024209820 /nfs/dbraw/zinc/20/98/20/1024209820.db2.gz YCJWOHIGCCQRFL-QFBILLFUSA-N 1 2 348.450 3.662 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000664432023 1024212827 /nfs/dbraw/zinc/21/28/27/1024212827.db2.gz ZUHYYKIATGKJDY-OAHLLOKOSA-N 1 2 336.505 3.685 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000053076021 1024212701 /nfs/dbraw/zinc/21/27/01/1024212701.db2.gz UDDRKBGLWJTXDH-INIZCTEOSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000053076021 1024212714 /nfs/dbraw/zinc/21/27/14/1024212714.db2.gz UDDRKBGLWJTXDH-INIZCTEOSA-N 1 2 348.368 3.750 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(C(F)F)CC2)n1 ZINC000443613898 1024238203 /nfs/dbraw/zinc/23/82/03/1024238203.db2.gz FHTRALWFMOVWNJ-UHFFFAOYSA-N 1 2 327.325 3.628 20 0 EHADLO Cc1cc(N2CCOC[C@H]2C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000443964493 1024242738 /nfs/dbraw/zinc/24/27/38/1024242738.db2.gz PRKVUNMEHVPRRH-LLVKDONJSA-N 1 2 326.318 3.667 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003683 1024282926 /nfs/dbraw/zinc/28/29/26/1024282926.db2.gz ZXDSJXGMEKVUOJ-QZTJIDSGSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003683 1024282946 /nfs/dbraw/zinc/28/29/46/1024282946.db2.gz ZXDSJXGMEKVUOJ-QZTJIDSGSA-N 1 2 340.471 3.550 20 0 EHADLO Cc1cn2cc(NC(=O)COc3cccc(Cl)c3C)ccc2[nH+]1 ZINC000346036265 1024289362 /nfs/dbraw/zinc/28/93/62/1024289362.db2.gz QPPVMUJCUVWPAA-UHFFFAOYSA-N 1 2 329.787 3.622 20 0 EHADLO CC(C)c1nnc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)s1 ZINC000895335148 1024313307 /nfs/dbraw/zinc/31/33/07/1024313307.db2.gz VSYLTXYZSOEUFT-NSHDSACASA-N 1 2 337.411 3.641 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c1Cl ZINC000892009988 1024324662 /nfs/dbraw/zinc/32/46/62/1024324662.db2.gz QXKGJVUTUZBDOY-UHFFFAOYSA-N 1 2 339.911 3.942 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(C2CCCCC2)cc1 ZINC000193455096 1024336551 /nfs/dbraw/zinc/33/65/51/1024336551.db2.gz BWDCWOFYZCRFEX-LJQANCHMSA-N 1 2 327.476 3.745 20 0 EHADLO COc1cccc(-c2cc(C[NH2+]Cc3cc(C4CC4)no3)on2)c1 ZINC000897840774 1033206179 /nfs/dbraw/zinc/20/61/79/1033206179.db2.gz DKMQNJDGXMSVJM-UHFFFAOYSA-N 1 2 325.368 3.505 20 0 EHADLO c1ccc(-c2nccc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895356016 1024381473 /nfs/dbraw/zinc/38/14/73/1024381473.db2.gz RXLXUEQVHCZZCE-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000443671630 1024384145 /nfs/dbraw/zinc/38/41/45/1024384145.db2.gz CMOSZOCXZKPACV-UHFFFAOYSA-N 1 2 325.362 3.709 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000443671630 1024384159 /nfs/dbraw/zinc/38/41/59/1024384159.db2.gz CMOSZOCXZKPACV-UHFFFAOYSA-N 1 2 325.362 3.709 20 0 EHADLO CSCC[C@H](C)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425178574 1024392265 /nfs/dbraw/zinc/39/22/65/1024392265.db2.gz LWOYKWBPJAKRTB-GOEBONIOSA-N 1 2 331.485 3.532 20 0 EHADLO COc1cccc2c(NCc3cc(Br)no3)cc[nH+]c12 ZINC001167502982 1024398042 /nfs/dbraw/zinc/39/80/42/1024398042.db2.gz KHZZOONNWHQLCY-UHFFFAOYSA-N 1 2 334.173 3.606 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3nc(C)c(C)s3)on2)cc1 ZINC000895366864 1024401948 /nfs/dbraw/zinc/40/19/48/1024401948.db2.gz POULWXCPBVSVFH-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO CCNc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000191554196 1024407269 /nfs/dbraw/zinc/40/72/69/1024407269.db2.gz FVFQVDVLGVHYHZ-UHFFFAOYSA-N 1 2 331.470 3.756 20 0 EHADLO CCC1(CC)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425179116 1024408627 /nfs/dbraw/zinc/40/86/27/1024408627.db2.gz ACWQZQQWQMDNFX-KRWDZBQOSA-N 1 2 325.456 3.970 20 0 EHADLO CC(C)(C)C[C@@H]1CC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000840148979 1024411456 /nfs/dbraw/zinc/41/14/56/1024411456.db2.gz CJVPLSHMEBFWIQ-NSHDSACASA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)(C)C[C@@H]1CC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000840148979 1024411473 /nfs/dbraw/zinc/41/14/73/1024411473.db2.gz CJVPLSHMEBFWIQ-NSHDSACASA-N 1 2 336.427 3.692 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505513840 1024414220 /nfs/dbraw/zinc/41/42/20/1024414220.db2.gz HYMWHGBQESAJOT-HNAYVOBHSA-N 1 2 332.463 3.905 20 0 EHADLO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1C1CC1 ZINC000191552612 1024414613 /nfs/dbraw/zinc/41/46/13/1024414613.db2.gz NPXWKACLBOYBGG-UHFFFAOYSA-N 1 2 339.468 3.962 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425189088 1024416711 /nfs/dbraw/zinc/41/67/11/1024416711.db2.gz LIPHFLJRBOMGIX-SJLPKXTDSA-N 1 2 325.456 3.970 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H]1Cc1ccccc1 ZINC000425193454 1024431859 /nfs/dbraw/zinc/43/18/59/1024431859.db2.gz KPYJHYHVVKGIIW-PMACEKPBSA-N 1 2 345.446 3.775 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000840182585 1024463371 /nfs/dbraw/zinc/46/33/71/1024463371.db2.gz HFOFDVULDOCIRR-CYBMUJFWSA-N 1 2 330.428 3.511 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CC(C)(C)C[C@H]1C ZINC000840182585 1024463381 /nfs/dbraw/zinc/46/33/81/1024463381.db2.gz HFOFDVULDOCIRR-CYBMUJFWSA-N 1 2 330.428 3.511 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000474007841 1024467840 /nfs/dbraw/zinc/46/78/40/1024467840.db2.gz HGJVDUPXLSEOAG-QGZVFWFLSA-N 1 2 344.503 3.650 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2N(C)C)[nH]1 ZINC000277288715 1024468346 /nfs/dbraw/zinc/46/83/46/1024468346.db2.gz RAINMADVNSETCK-YNEHKIRRSA-N 1 2 333.455 3.935 20 0 EHADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1C ZINC000051992617 1024471440 /nfs/dbraw/zinc/47/14/40/1024471440.db2.gz INLCNTYFHZVILW-UHFFFAOYSA-N 1 2 338.451 3.785 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2cccc(Cl)c2Cl)c[nH+]1 ZINC000895443383 1024501872 /nfs/dbraw/zinc/50/18/72/1024501872.db2.gz ITHRXTPOMSGXAF-UHFFFAOYSA-N 1 2 340.254 3.892 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000190777855 1024505264 /nfs/dbraw/zinc/50/52/64/1024505264.db2.gz ZMVTWYNCWQWFQK-ROUUACIJSA-N 1 2 340.471 3.847 20 0 EHADLO CCCCC[N@H+](Cc1nnc2n1CCOC2)Cc1ccc(Cl)cc1 ZINC000281007538 1024541227 /nfs/dbraw/zinc/54/12/27/1024541227.db2.gz GSMZVRPVPIBUMD-UHFFFAOYSA-N 1 2 348.878 3.654 20 0 EHADLO CCCCC[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc(Cl)cc1 ZINC000281007538 1024541238 /nfs/dbraw/zinc/54/12/38/1024541238.db2.gz GSMZVRPVPIBUMD-UHFFFAOYSA-N 1 2 348.878 3.654 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000435035268 1024558577 /nfs/dbraw/zinc/55/85/77/1024558577.db2.gz PMFYLHJMRCEQLC-PMACEKPBSA-N 1 2 349.430 3.841 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1=Cc2ccccc2OC1 ZINC000435035268 1024558586 /nfs/dbraw/zinc/55/85/86/1024558586.db2.gz PMFYLHJMRCEQLC-PMACEKPBSA-N 1 2 349.430 3.841 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(NC)ccc1Cl ZINC000425266047 1024564260 /nfs/dbraw/zinc/56/42/60/1024564260.db2.gz YUCXARSBUMNUTN-UHFFFAOYSA-N 1 2 348.878 3.693 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c[nH+]1 ZINC000895503435 1024564510 /nfs/dbraw/zinc/56/45/10/1024564510.db2.gz VFTNFYHRHQZFSU-CQSZACIVSA-N 1 2 349.887 3.933 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[nH]1 ZINC000277318390 1024582403 /nfs/dbraw/zinc/58/24/03/1024582403.db2.gz SWTOFJAJPRUDGV-QWHCGFSZSA-N 1 2 344.459 3.814 20 0 EHADLO COc1ccc2ccccc2c1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000342255853 1024582558 /nfs/dbraw/zinc/58/25/58/1024582558.db2.gz VZCHWSYJISVDET-UHFFFAOYSA-N 1 2 329.350 3.866 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000346269212 1024590899 /nfs/dbraw/zinc/59/08/99/1024590899.db2.gz DKQMCQMFUIXUNQ-UHFFFAOYSA-N 1 2 342.830 3.694 20 0 EHADLO O=C([C@@H]1CCCC(F)(F)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000282562426 1024591425 /nfs/dbraw/zinc/59/14/25/1024591425.db2.gz DTASVDHXXJWYJX-KRZKXXONSA-N 1 2 348.437 3.670 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1nccc3c1CCCC3)C2 ZINC000895557225 1024609642 /nfs/dbraw/zinc/60/96/42/1024609642.db2.gz DRAFMQHAIQKRDM-UHFFFAOYSA-N 1 2 336.483 3.606 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1nccc3c1CCCC3)C2 ZINC000895557225 1024609646 /nfs/dbraw/zinc/60/96/46/1024609646.db2.gz DRAFMQHAIQKRDM-UHFFFAOYSA-N 1 2 336.483 3.606 20 0 EHADLO COc1ccnc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884665 1024618421 /nfs/dbraw/zinc/61/84/21/1024618421.db2.gz HBTAGJJAFGCBBZ-CVEARBPZSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000895587051 1024632481 /nfs/dbraw/zinc/63/24/81/1024632481.db2.gz GQQOTOUDDNVQIZ-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1cc(F)ncc1C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000895587051 1024632487 /nfs/dbraw/zinc/63/24/87/1024632487.db2.gz GQQOTOUDDNVQIZ-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1nc2c(s1)CCCC2 ZINC000435125578 1024635093 /nfs/dbraw/zinc/63/50/93/1024635093.db2.gz XRMUPJAXJPKNSV-UHFFFAOYSA-N 1 2 328.441 3.637 20 0 EHADLO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1nc2c(s1)CCCC2 ZINC000435125578 1024635096 /nfs/dbraw/zinc/63/50/96/1024635096.db2.gz XRMUPJAXJPKNSV-UHFFFAOYSA-N 1 2 328.441 3.637 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000346349958 1024644667 /nfs/dbraw/zinc/64/46/67/1024644667.db2.gz ZWYXIMSJMXRQDV-UHFFFAOYSA-N 1 2 326.425 3.640 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@H]1CO ZINC001143430059 1024646920 /nfs/dbraw/zinc/64/69/20/1024646920.db2.gz YVIIHCQLNHBZHT-MFKMUULPSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@H]1CO ZINC001143430059 1024646927 /nfs/dbraw/zinc/64/69/27/1024646927.db2.gz YVIIHCQLNHBZHT-MFKMUULPSA-N 1 2 337.769 3.831 20 0 EHADLO Brc1cccc(CC2C[NH+](Cc3nccn3C3CC3)C2)c1 ZINC000895614417 1024660001 /nfs/dbraw/zinc/66/00/01/1024660001.db2.gz WBIAYWHSGLDYOR-UHFFFAOYSA-N 1 2 346.272 3.655 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346388696 1024678710 /nfs/dbraw/zinc/67/87/10/1024678710.db2.gz WWCWKPMCHATVSA-WFASDCNBSA-N 1 2 331.847 3.573 20 0 EHADLO COCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000892098787 1024680697 /nfs/dbraw/zinc/68/06/97/1024680697.db2.gz PMZFRLSPTKWJEP-QFBILLFUSA-N 1 2 345.439 3.575 20 0 EHADLO COCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000892098787 1024680704 /nfs/dbraw/zinc/68/07/04/1024680704.db2.gz PMZFRLSPTKWJEP-QFBILLFUSA-N 1 2 345.439 3.575 20 0 EHADLO Cc1ccc([C@@H](C)c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000346409034 1024698136 /nfs/dbraw/zinc/69/81/36/1024698136.db2.gz KWUVXHRIOUHJMH-CQSZACIVSA-N 1 2 331.379 3.778 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)c1cncs1 ZINC000897931849 1033229743 /nfs/dbraw/zinc/22/97/43/1033229743.db2.gz DBSBRABWWZHDQW-VIFPVBQESA-N 1 2 342.823 3.832 20 0 EHADLO CCOc1nc(C)ccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346395254 1024712869 /nfs/dbraw/zinc/71/28/69/1024712869.db2.gz VJPGVTGKRRNHFU-UHFFFAOYSA-N 1 2 347.378 3.691 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000281192463 1024735801 /nfs/dbraw/zinc/73/58/01/1024735801.db2.gz INXHGICZGJXZTC-HNNXBMFYSA-N 1 2 339.361 3.888 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000281192463 1024735807 /nfs/dbraw/zinc/73/58/07/1024735807.db2.gz INXHGICZGJXZTC-HNNXBMFYSA-N 1 2 339.361 3.888 20 0 EHADLO Cc1oc(C(C)C)nc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000514786038 1024740750 /nfs/dbraw/zinc/74/07/50/1024740750.db2.gz OZWWYBMYDBNNIP-UHFFFAOYSA-N 1 2 337.383 3.703 20 0 EHADLO CC(C)C[C@@H](C)CS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427697298 1024741398 /nfs/dbraw/zinc/74/13/98/1024741398.db2.gz UFGASVOYNXLZRB-IAGOWNOFSA-N 1 2 349.544 3.534 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705006 1024744665 /nfs/dbraw/zinc/74/46/65/1024744665.db2.gz OWFIFFWECNLPRV-ROUUACIJSA-N 1 2 343.515 3.893 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000114724957 1024753895 /nfs/dbraw/zinc/75/38/95/1024753895.db2.gz XREOJVJUOLUBEF-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000114724957 1024753905 /nfs/dbraw/zinc/75/39/05/1024753905.db2.gz XREOJVJUOLUBEF-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO COCc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346468312 1024755592 /nfs/dbraw/zinc/75/55/92/1024755592.db2.gz AEAWIZWUKQKTAT-FQEVSTJZSA-N 1 2 337.398 3.641 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCCCC1(F)F ZINC000425321390 1024759225 /nfs/dbraw/zinc/75/92/25/1024759225.db2.gz YTAUYBVUXSXZIY-CVEARBPZSA-N 1 2 347.409 3.873 20 0 EHADLO C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000427732458 1024768447 /nfs/dbraw/zinc/76/84/47/1024768447.db2.gz WXYKPAPEUBJEGE-LBPRGKRZSA-N 1 2 325.334 3.723 20 0 EHADLO Cc1occc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435332678 1024797803 /nfs/dbraw/zinc/79/78/03/1024797803.db2.gz GCEXDJFWAHEYDP-UHFFFAOYSA-N 1 2 343.814 3.781 20 0 EHADLO Clc1ccccc1-c1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895756773 1024799204 /nfs/dbraw/zinc/79/92/04/1024799204.db2.gz KLTKBUXGZIKZJA-UHFFFAOYSA-N 1 2 328.803 3.597 20 0 EHADLO Clc1ccccc1-c1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895756773 1024799216 /nfs/dbraw/zinc/79/92/16/1024799216.db2.gz KLTKBUXGZIKZJA-UHFFFAOYSA-N 1 2 328.803 3.597 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000171542384 1033235756 /nfs/dbraw/zinc/23/57/56/1033235756.db2.gz KFWFJHHIYCSZCM-LSDHHAIUSA-N 1 2 331.485 3.619 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ccccc2C(=O)OC(C)(C)C)o1 ZINC000895777735 1024823821 /nfs/dbraw/zinc/82/38/21/1024823821.db2.gz WRRLYBLEXFAHEU-UHFFFAOYSA-N 1 2 331.412 3.923 20 0 EHADLO COCc1csc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000657304826 1024849590 /nfs/dbraw/zinc/84/95/90/1024849590.db2.gz ISZZCUVIEKVSDE-KRWDZBQOSA-N 1 2 345.443 3.646 20 0 EHADLO Cc1nc(N[C@@H](c2ccccn2)C2CC2)c(Br)c(C)[nH+]1 ZINC000895795067 1024849324 /nfs/dbraw/zinc/84/93/24/1024849324.db2.gz AMNLKMGWXIWMJC-CQSZACIVSA-N 1 2 333.233 3.814 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427868695 1024851214 /nfs/dbraw/zinc/85/12/14/1024851214.db2.gz WXXQVDALTBMPOB-HOCLYGCPSA-N 1 2 343.389 3.715 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000151876014 1024871405 /nfs/dbraw/zinc/87/14/05/1024871405.db2.gz LMHSGRDWXWCSEO-BZNIZROVSA-N 1 2 335.810 3.707 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425368981 1024887376 /nfs/dbraw/zinc/88/73/76/1024887376.db2.gz YTJLMLXQCDOTPX-IAGOWNOFSA-N 1 2 345.874 3.735 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425368981 1024887386 /nfs/dbraw/zinc/88/73/86/1024887386.db2.gz YTJLMLXQCDOTPX-IAGOWNOFSA-N 1 2 345.874 3.735 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000514918857 1024887412 /nfs/dbraw/zinc/88/74/12/1024887412.db2.gz JRZVJGKPMKLTRP-DVOMOZLQSA-N 1 2 344.846 3.514 20 0 EHADLO Clc1ncc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000255470225 1024894874 /nfs/dbraw/zinc/89/48/74/1024894874.db2.gz VPSHJQADZRJXKR-DAXSKMNVSA-N 1 2 333.888 3.628 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cncn1C(C)C)C2 ZINC000425375105 1024907329 /nfs/dbraw/zinc/90/73/29/1024907329.db2.gz YPJGCOSHVPWLCM-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1cncn1C(C)C)C2 ZINC000425375105 1024907337 /nfs/dbraw/zinc/90/73/37/1024907337.db2.gz YPJGCOSHVPWLCM-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccn1 ZINC000536476855 1024909837 /nfs/dbraw/zinc/90/98/37/1024909837.db2.gz QYDMFNWGDWEHPI-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccn1 ZINC000536476855 1024909845 /nfs/dbraw/zinc/90/98/45/1024909845.db2.gz QYDMFNWGDWEHPI-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO CC(C)[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1F ZINC000346598113 1024910072 /nfs/dbraw/zinc/91/00/72/1024910072.db2.gz BQTAQTCIRVXSMF-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1F ZINC000346598113 1024910078 /nfs/dbraw/zinc/91/00/78/1024910078.db2.gz BQTAQTCIRVXSMF-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO CCCOc1ccc([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1OC ZINC000514942423 1024918249 /nfs/dbraw/zinc/91/82/49/1024918249.db2.gz ZDBHSTARSOIKAW-GJZGRUSLSA-N 1 2 345.443 3.509 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427992436 1024927717 /nfs/dbraw/zinc/92/77/17/1024927717.db2.gz MVKUENLZRJWXQF-HNNXBMFYSA-N 1 2 341.480 3.686 20 0 EHADLO O=c1nc(Cn2cc[nH+]c2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000346622719 1024935129 /nfs/dbraw/zinc/93/51/29/1024935129.db2.gz RTPYMVCVSMSFQZ-UHFFFAOYSA-N 1 2 342.811 3.962 20 0 EHADLO O=C(Nc1ccc(F)cc1F)NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346649537 1024960354 /nfs/dbraw/zinc/96/03/54/1024960354.db2.gz UXNZVRXRHUOFNN-UHFFFAOYSA-N 1 2 346.381 3.905 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc([C@@H]3CCCC(=O)N3)c2)c1C ZINC000895896011 1024962006 /nfs/dbraw/zinc/96/20/06/1024962006.db2.gz YKLSVTIUWPHMBJ-KRWDZBQOSA-N 1 2 339.439 3.660 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602895562 1033249070 /nfs/dbraw/zinc/24/90/70/1033249070.db2.gz AFPWDNZGBOUCMF-QGZVFWFLSA-N 1 2 339.439 3.769 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602895562 1033249081 /nfs/dbraw/zinc/24/90/81/1033249081.db2.gz AFPWDNZGBOUCMF-QGZVFWFLSA-N 1 2 339.439 3.769 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000375659938 1024983227 /nfs/dbraw/zinc/98/32/27/1024983227.db2.gz YTJMGRWDZXIEES-KRWDZBQOSA-N 1 2 325.456 3.557 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000375659938 1024983235 /nfs/dbraw/zinc/98/32/35/1024983235.db2.gz YTJMGRWDZXIEES-KRWDZBQOSA-N 1 2 325.456 3.557 20 0 EHADLO FC(F)(F)c1ncc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)s1 ZINC000443978022 1024997675 /nfs/dbraw/zinc/99/76/75/1024997675.db2.gz KEBGVSWTYBCGIK-UHFFFAOYSA-N 1 2 346.765 3.753 20 0 EHADLO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000897944913 1033254492 /nfs/dbraw/zinc/25/44/92/1033254492.db2.gz QZEWIBAYKZABSQ-UHFFFAOYSA-N 1 2 340.427 3.661 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000071968342 1025028169 /nfs/dbraw/zinc/02/81/69/1025028169.db2.gz FLOCWZXZCMZKQN-SFHVURJKSA-N 1 2 342.508 3.662 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000071968342 1025028180 /nfs/dbraw/zinc/02/81/80/1025028180.db2.gz FLOCWZXZCMZKQN-SFHVURJKSA-N 1 2 342.508 3.662 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000895997711 1025051555 /nfs/dbraw/zinc/05/15/55/1025051555.db2.gz LRBUFFHZFHMLBF-UHFFFAOYSA-N 1 2 348.450 3.502 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@]1(C)Br ZINC000892156123 1025058204 /nfs/dbraw/zinc/05/82/04/1025058204.db2.gz DXYNVDHFVUDDBZ-XCBNKYQSSA-N 1 2 343.212 3.767 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@]1(C)Br ZINC000892156123 1025058215 /nfs/dbraw/zinc/05/82/15/1025058215.db2.gz DXYNVDHFVUDDBZ-XCBNKYQSSA-N 1 2 343.212 3.767 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(C)n1 ZINC000048679198 1025065670 /nfs/dbraw/zinc/06/56/70/1025065670.db2.gz NMVFUEYXYQOWGV-LBPRGKRZSA-N 1 2 344.484 3.639 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(C)n1 ZINC000048679198 1025065681 /nfs/dbraw/zinc/06/56/81/1025065681.db2.gz NMVFUEYXYQOWGV-LBPRGKRZSA-N 1 2 344.484 3.639 20 0 EHADLO OC[C@]1([NH2+]Cc2c(Cl)cccc2Cl)CCOc2ccccc21 ZINC000281465440 1025072835 /nfs/dbraw/zinc/07/28/35/1025072835.db2.gz BGAGOIDQPCBCTI-QGZVFWFLSA-N 1 2 338.234 3.753 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4c[nH]c5ccccc54)no3)[nH+]c12 ZINC000515202830 1025087634 /nfs/dbraw/zinc/08/76/34/1025087634.db2.gz RDZUNFOOKOROGY-UHFFFAOYSA-N 1 2 329.363 3.765 20 0 EHADLO c1ccc(CCOCCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000346784104 1025096664 /nfs/dbraw/zinc/09/66/64/1025096664.db2.gz WWSPIOHUXJLPCR-UHFFFAOYSA-N 1 2 340.471 3.528 20 0 EHADLO c1ccc(CCOCCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000346784104 1025096675 /nfs/dbraw/zinc/09/66/75/1025096675.db2.gz WWSPIOHUXJLPCR-UHFFFAOYSA-N 1 2 340.471 3.528 20 0 EHADLO O=C(NCC1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000515231403 1025098599 /nfs/dbraw/zinc/09/85/99/1025098599.db2.gz HBLKQQIHEXQLIU-UHFFFAOYSA-N 1 2 336.505 3.831 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)C1 ZINC000349858190 1025104478 /nfs/dbraw/zinc/10/44/78/1025104478.db2.gz ZOEIESMMOLTDKE-OAHLLOKOSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)C1 ZINC000349858190 1025104482 /nfs/dbraw/zinc/10/44/82/1025104482.db2.gz ZOEIESMMOLTDKE-OAHLLOKOSA-N 1 2 346.818 3.653 20 0 EHADLO CO[C@@](C)(c1nc(Cc2cn3cccc(C)c3[nH+]2)no1)c1ccccc1 ZINC000896065157 1025118076 /nfs/dbraw/zinc/11/80/76/1025118076.db2.gz IKYAJFNYRIVTPW-HXUWFJFHSA-N 1 2 348.406 3.526 20 0 EHADLO CN1CC[N@H+](Cc2cc(F)cc3cccnc32)[C@H](c2ccccc2)C1 ZINC000342382250 1025121815 /nfs/dbraw/zinc/12/18/15/1025121815.db2.gz BFVJVQDZTGXKKS-FQEVSTJZSA-N 1 2 335.426 3.863 20 0 EHADLO CN1CC[N@@H+](Cc2cc(F)cc3cccnc32)[C@H](c2ccccc2)C1 ZINC000342382250 1025121821 /nfs/dbraw/zinc/12/18/21/1025121821.db2.gz BFVJVQDZTGXKKS-FQEVSTJZSA-N 1 2 335.426 3.863 20 0 EHADLO C[NH+](C)C1(c2nc(CCCOc3cccc4ccccc43)no2)CC1 ZINC000896073218 1025124703 /nfs/dbraw/zinc/12/47/03/1025124703.db2.gz UCPFAFFPYBMXLF-UHFFFAOYSA-N 1 2 337.423 3.785 20 0 EHADLO c1cc(C[N@@H+]2CCc3cncnc3C2)cc(OCC2CCCCC2)c1 ZINC000435769007 1025129080 /nfs/dbraw/zinc/12/90/80/1025129080.db2.gz HXVSIWXXZIWMAM-UHFFFAOYSA-N 1 2 337.467 3.994 20 0 EHADLO c1cc(C[N@H+]2CCc3cncnc3C2)cc(OCC2CCCCC2)c1 ZINC000435769007 1025129085 /nfs/dbraw/zinc/12/90/85/1025129085.db2.gz HXVSIWXXZIWMAM-UHFFFAOYSA-N 1 2 337.467 3.994 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(O)ccc12)c1nccs1 ZINC000161124831 1025131283 /nfs/dbraw/zinc/13/12/83/1025131283.db2.gz SNIPDTVQUJVUHC-CYBMUJFWSA-N 1 2 330.409 3.504 20 0 EHADLO C[NH+](C)C1(c2nc(CCc3c(Cl)cccc3Cl)no2)CC1 ZINC000896090068 1025144696 /nfs/dbraw/zinc/14/46/96/1025144696.db2.gz HAXCAMIAUWOSSI-UHFFFAOYSA-N 1 2 326.227 3.712 20 0 EHADLO C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1cccnc1 ZINC000113314253 1025144937 /nfs/dbraw/zinc/14/49/37/1025144937.db2.gz AFAGKXNECYTREG-AWEZNQCLSA-N 1 2 325.437 3.968 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522698240 1025161735 /nfs/dbraw/zinc/16/17/35/1025161735.db2.gz VEAYILPILIDCOZ-MRXNPFEDSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1ncsc1/C=C\c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000515330904 1025167750 /nfs/dbraw/zinc/16/77/50/1025167750.db2.gz SSVGJAOYGBTLCZ-WAYWQWQTSA-N 1 2 337.408 3.552 20 0 EHADLO Cc1[nH]c(CNc2ccc(-n3nccc3C(F)(F)F)cc2)[nH+]c1C ZINC000515339794 1025178171 /nfs/dbraw/zinc/17/81/71/1025178171.db2.gz UUVSRLGZRAWPBS-UHFFFAOYSA-N 1 2 335.333 3.843 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000522735012 1025187449 /nfs/dbraw/zinc/18/74/49/1025187449.db2.gz PHCJNRMXRZLTDK-GOSISDBHSA-N 1 2 344.418 3.502 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C(C)C)c(C)c1 ZINC000442229126 1025213112 /nfs/dbraw/zinc/21/31/12/1025213112.db2.gz ABFMRBOHCVLUNC-PKOBYXMFSA-N 1 2 342.487 3.927 20 0 EHADLO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896196099 1025228181 /nfs/dbraw/zinc/22/81/81/1025228181.db2.gz WPQWAAFOFKOMCO-UHFFFAOYSA-N 1 2 333.439 3.548 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657332032 1025234206 /nfs/dbraw/zinc/23/42/06/1025234206.db2.gz CXPYIBYCDDIFNI-UHFFFAOYSA-N 1 2 340.652 3.535 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCn3nc(C(F)(F)F)cc3C2)c1 ZINC000896214407 1025251625 /nfs/dbraw/zinc/25/16/25/1025251625.db2.gz KBLJIWHMGPEGQA-UHFFFAOYSA-N 1 2 336.292 3.609 20 0 EHADLO c1c2n(nc1C1CC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCCC4)C2 ZINC000896217888 1025253430 /nfs/dbraw/zinc/25/34/30/1025253430.db2.gz BLQCDWNRPPEMDE-UHFFFAOYSA-N 1 2 333.439 3.536 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)no1 ZINC000896232991 1025267376 /nfs/dbraw/zinc/26/73/76/1025267376.db2.gz PJUSRQHUUGNXNN-SNVBAGLBSA-N 1 2 330.190 3.813 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)no1 ZINC000896232991 1025267386 /nfs/dbraw/zinc/26/73/86/1025267386.db2.gz PJUSRQHUUGNXNN-SNVBAGLBSA-N 1 2 330.190 3.813 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3csc(C4CCCC4)n3)CC2)c1 ZINC000166033199 1025267522 /nfs/dbraw/zinc/26/75/22/1025267522.db2.gz BYQQTHXNPCLJLA-UHFFFAOYSA-N 1 2 342.512 3.826 20 0 EHADLO C[C@@H](CC(=O)NCC1(c2ccc(F)cc2)CCCCC1)n1cc[nH+]c1 ZINC000521254741 1025294568 /nfs/dbraw/zinc/29/45/68/1025294568.db2.gz PNQUKNPKWDAYGM-INIZCTEOSA-N 1 2 343.446 3.992 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c[nH+]1 ZINC000896301560 1025327386 /nfs/dbraw/zinc/32/73/86/1025327386.db2.gz RTPQPIVXXSAIHH-OAHLLOKOSA-N 1 2 331.847 3.596 20 0 EHADLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000521348560 1025343949 /nfs/dbraw/zinc/34/39/49/1025343949.db2.gz PTSDLYCZODLFTM-UHFFFAOYSA-N 1 2 347.503 3.898 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000436086683 1025362375 /nfs/dbraw/zinc/36/23/75/1025362375.db2.gz WMCULWSHHIVFHH-MRXNPFEDSA-N 1 2 344.434 3.589 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(F)c(C)c2)c1 ZINC000436073904 1025366586 /nfs/dbraw/zinc/36/65/86/1025366586.db2.gz WBGAIMAFBWCPLE-UHFFFAOYSA-N 1 2 337.398 3.900 20 0 EHADLO O=C(/C=C/c1cccs1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281702037 1025392327 /nfs/dbraw/zinc/39/23/27/1025392327.db2.gz BWSVNEMCLRUSNA-XVJNWHFHSA-N 1 2 341.480 3.700 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1Cc2ccccc2C1 ZINC000436126162 1025398520 /nfs/dbraw/zinc/39/85/20/1025398520.db2.gz ISURQHDOGUMUBI-ZDUSSCGKSA-N 1 2 346.833 3.842 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442686818 1025423429 /nfs/dbraw/zinc/42/34/29/1025423429.db2.gz LVOIUXHYZYGNCH-UHFFFAOYSA-N 1 2 349.221 3.950 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cncc(F)c1 ZINC000436201355 1025455700 /nfs/dbraw/zinc/45/57/00/1025455700.db2.gz UJURPERYLRZJQU-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(CC(C)C)CC3)CC2)c1 ZINC000442754923 1025466975 /nfs/dbraw/zinc/46/69/75/1025466975.db2.gz QXQARVKMCGWZAP-QGZVFWFLSA-N 1 2 344.499 3.727 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)sc1C ZINC000121518880 1025480728 /nfs/dbraw/zinc/48/07/28/1025480728.db2.gz YOKPXEKZGBLHNM-INIZCTEOSA-N 1 2 330.453 3.698 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCC2(CC2)C1 ZINC000896479405 1025485447 /nfs/dbraw/zinc/48/54/47/1025485447.db2.gz OWJCJILOMZYWJD-ROUUACIJSA-N 1 2 338.455 3.646 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000665453360 1025489258 /nfs/dbraw/zinc/48/92/58/1025489258.db2.gz KCPBHGFOZQXXSU-HOTGVXAUSA-N 1 2 330.476 3.802 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)[nH]n1 ZINC000442814059 1025508388 /nfs/dbraw/zinc/50/83/88/1025508388.db2.gz SVUHSHZWFUWVLJ-GFCCVEGCSA-N 1 2 345.390 3.671 20 0 EHADLO FC(F)(F)c1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)[nH]n1 ZINC000442814059 1025508403 /nfs/dbraw/zinc/50/84/03/1025508403.db2.gz SVUHSHZWFUWVLJ-GFCCVEGCSA-N 1 2 345.390 3.671 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(Br)cc1 ZINC000442816241 1025512376 /nfs/dbraw/zinc/51/23/76/1025512376.db2.gz WPQDFNMMAJGYHM-UHFFFAOYSA-N 1 2 348.166 3.823 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(Br)cc1 ZINC000442816241 1025512388 /nfs/dbraw/zinc/51/23/88/1025512388.db2.gz WPQDFNMMAJGYHM-UHFFFAOYSA-N 1 2 348.166 3.823 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccn12 ZINC000574582510 1033291605 /nfs/dbraw/zinc/29/16/05/1033291605.db2.gz ZHIJDVQQNXTUAF-UHFFFAOYSA-N 1 2 349.390 3.937 20 0 EHADLO C/C=C\C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404637 1025575589 /nfs/dbraw/zinc/57/55/89/1025575589.db2.gz DQJGFCIIYUEUHO-BAHPRDJBSA-N 1 2 342.487 3.570 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)NCCc1c[nH+]cn1C ZINC000515764646 1025592599 /nfs/dbraw/zinc/59/25/99/1025592599.db2.gz GIOXOJVEYYRPAW-UHFFFAOYSA-N 1 2 327.453 3.533 20 0 EHADLO c1ccc2c(c1)oc1ccc(C[NH2+]Cc3noc4c3COCC4)cc12 ZINC000897363390 1025607372 /nfs/dbraw/zinc/60/73/72/1025607372.db2.gz KHONIMSRKXPHLJ-UHFFFAOYSA-N 1 2 334.375 3.937 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cc2ccccc2s1 ZINC000179169579 1025618923 /nfs/dbraw/zinc/61/89/23/1025618923.db2.gz ZONPFTACVSQZRG-OLZOCXBDSA-N 1 2 334.510 3.516 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000892225635 1025638326 /nfs/dbraw/zinc/63/83/26/1025638326.db2.gz PTAGCXWTTBKBPX-CQSZACIVSA-N 1 2 336.476 3.916 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000892225635 1025638358 /nfs/dbraw/zinc/63/83/58/1025638358.db2.gz PTAGCXWTTBKBPX-CQSZACIVSA-N 1 2 336.476 3.916 20 0 EHADLO CCCC[C@H](CCC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443011188 1025662990 /nfs/dbraw/zinc/66/29/90/1025662990.db2.gz OTJLTLAKLBXNKV-KRWDZBQOSA-N 1 2 349.500 3.569 20 0 EHADLO CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](CC)c1ccccc1 ZINC000370883480 1025671632 /nfs/dbraw/zinc/67/16/32/1025671632.db2.gz KXWYOBNPAWLPJN-ZWKOTPCHSA-N 1 2 325.456 3.835 20 0 EHADLO Cc1[nH+]cc(CN(C)Cc2cnc(C(C)C)nc2)n1-c1ccccc1 ZINC000443064168 1025680538 /nfs/dbraw/zinc/68/05/38/1025680538.db2.gz FIWWXGMEAHUSMT-UHFFFAOYSA-N 1 2 335.455 3.726 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000664553593 1025685996 /nfs/dbraw/zinc/68/59/96/1025685996.db2.gz CVOXWYAGGOKKAI-JCURWCKSSA-N 1 2 339.430 3.540 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000664553593 1025686000 /nfs/dbraw/zinc/68/60/00/1025686000.db2.gz CVOXWYAGGOKKAI-JCURWCKSSA-N 1 2 339.430 3.540 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000521822535 1025708988 /nfs/dbraw/zinc/70/89/88/1025708988.db2.gz VDOOVGRLLOCQNE-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000521822535 1025709007 /nfs/dbraw/zinc/70/90/07/1025709007.db2.gz VDOOVGRLLOCQNE-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)c3ncnn3C)cs2)cs1 ZINC000530385933 1025732690 /nfs/dbraw/zinc/73/26/90/1025732690.db2.gz CPYUVBXVNMZLNR-UWVGGRQHSA-N 1 2 333.486 3.720 20 0 EHADLO Cc1ccc(CCC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000081318933 1025757609 /nfs/dbraw/zinc/75/76/09/1025757609.db2.gz KWHIYKSDBFFXDL-HXUWFJFHSA-N 1 2 347.462 3.761 20 0 EHADLO Cc1[nH]c(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)[nH+]c1C ZINC000657388202 1025779736 /nfs/dbraw/zinc/77/97/36/1025779736.db2.gz HVHATLFNCCLYPE-LLVKDONJSA-N 1 2 331.807 3.581 20 0 EHADLO CO[C@H](CC(C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425569084 1025780884 /nfs/dbraw/zinc/78/08/84/1025780884.db2.gz KETUZONVRDNNKW-GOSISDBHSA-N 1 2 341.455 3.886 20 0 EHADLO Nc1cccc(C[N@@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000436487109 1025793557 /nfs/dbraw/zinc/79/35/57/1025793557.db2.gz PGLJQJONQKYKST-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc(C[N@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000436487109 1025793562 /nfs/dbraw/zinc/79/35/62/1025793562.db2.gz PGLJQJONQKYKST-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO O=C(CCCn1cccn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425574370 1025807792 /nfs/dbraw/zinc/80/77/92/1025807792.db2.gz QKBMBHKPZHLNID-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000505839104 1025812594 /nfs/dbraw/zinc/81/25/94/1025812594.db2.gz KLPHPVUBCMDRGR-KQDNUWKFSA-N 1 2 341.476 3.638 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000505839104 1025812618 /nfs/dbraw/zinc/81/26/18/1025812618.db2.gz KLPHPVUBCMDRGR-KQDNUWKFSA-N 1 2 341.476 3.638 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000639510583 1025828129 /nfs/dbraw/zinc/82/81/29/1025828129.db2.gz FHKPOMZLDDTYRO-AWEZNQCLSA-N 1 2 348.245 3.902 20 0 EHADLO CS[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328093 1025832545 /nfs/dbraw/zinc/83/25/45/1025832545.db2.gz UKJPJIQXBOUTEM-SMDDNHRTSA-N 1 2 345.295 3.536 20 0 EHADLO CS[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328093 1025832557 /nfs/dbraw/zinc/83/25/57/1025832557.db2.gz UKJPJIQXBOUTEM-SMDDNHRTSA-N 1 2 345.295 3.536 20 0 EHADLO Cc1ncc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000347287345 1025832945 /nfs/dbraw/zinc/83/29/45/1025832945.db2.gz ULSRWZHZBZRYKI-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO Cc1ncc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000347287345 1025832962 /nfs/dbraw/zinc/83/29/62/1025832962.db2.gz ULSRWZHZBZRYKI-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(-c4ccsc4)oc3C)C2)n1 ZINC000329438520 1025844004 /nfs/dbraw/zinc/84/40/04/1025844004.db2.gz KIFHJXFJFDLKNC-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(-c4ccsc4)oc3C)C2)n1 ZINC000329438520 1025844032 /nfs/dbraw/zinc/84/40/32/1025844032.db2.gz KIFHJXFJFDLKNC-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO CCCc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000472217628 1025852896 /nfs/dbraw/zinc/85/28/96/1025852896.db2.gz VFYDQUYJIWPLCL-MRXNPFEDSA-N 1 2 343.858 3.696 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684821009 1025854744 /nfs/dbraw/zinc/85/47/44/1025854744.db2.gz KXTUMFZDNLQQDP-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657392738 1025868453 /nfs/dbraw/zinc/86/84/53/1025868453.db2.gz ASLKXFYHUFTVPO-OAHLLOKOSA-N 1 2 328.460 3.779 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2cccs2)o1 ZINC000119767118 1025906413 /nfs/dbraw/zinc/90/64/13/1025906413.db2.gz YSYCNDBOHDYFTP-WDEREUQCSA-N 1 2 343.408 3.939 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(Br)s2)s1 ZINC000443339952 1025930872 /nfs/dbraw/zinc/93/08/72/1025930872.db2.gz ZXATXSTYCWACKU-SSDOTTSWSA-N 1 2 348.291 3.612 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000896733728 1025938241 /nfs/dbraw/zinc/93/82/41/1025938241.db2.gz NQOMQMGBVAEQSH-OAHLLOKOSA-N 1 2 347.894 3.837 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000896733728 1025938254 /nfs/dbraw/zinc/93/82/54/1025938254.db2.gz NQOMQMGBVAEQSH-OAHLLOKOSA-N 1 2 347.894 3.837 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2ccoc2c1 ZINC000443359339 1025952216 /nfs/dbraw/zinc/95/22/16/1025952216.db2.gz SMLCYYMXNAOTAE-UHFFFAOYSA-N 1 2 346.390 3.999 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000191176965 1025981164 /nfs/dbraw/zinc/98/11/64/1025981164.db2.gz PGEQQENJDXKNQX-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)nc(C)n1 ZINC000329547898 1025982621 /nfs/dbraw/zinc/98/26/21/1025982621.db2.gz CEAJCCPQLJKMGU-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1Cc1ccco1 ZINC000444257745 1025984426 /nfs/dbraw/zinc/98/44/26/1025984426.db2.gz FFZMBPUXUYENGS-HOCLYGCPSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1Cc1ccco1 ZINC000444257745 1025984440 /nfs/dbraw/zinc/98/44/40/1025984440.db2.gz FFZMBPUXUYENGS-HOCLYGCPSA-N 1 2 346.496 3.755 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CCS1 ZINC000444272356 1025993935 /nfs/dbraw/zinc/99/39/35/1025993935.db2.gz VZRPWEIYVHPMAV-AWEZNQCLSA-N 1 2 349.525 3.561 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CCS1 ZINC000444272356 1025993946 /nfs/dbraw/zinc/99/39/46/1025993946.db2.gz VZRPWEIYVHPMAV-AWEZNQCLSA-N 1 2 349.525 3.561 20 0 EHADLO Cc1[nH]c(CNC(=O)Cc2csc3ccc(Cl)cc23)[nH+]c1C ZINC000896916756 1025998915 /nfs/dbraw/zinc/99/89/15/1025998915.db2.gz QTCPUTLZWHTGFO-UHFFFAOYSA-N 1 2 333.844 3.754 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717866 1026012697 /nfs/dbraw/zinc/01/26/97/1026012697.db2.gz SUBLNUKVRKCACY-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717866 1026012714 /nfs/dbraw/zinc/01/27/14/1026012714.db2.gz SUBLNUKVRKCACY-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO ClC1(Cl)C[C@@H]1c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000896812536 1026058413 /nfs/dbraw/zinc/05/84/13/1026058413.db2.gz ZORREOLSCZKOLD-CYBMUJFWSA-N 1 2 349.221 3.566 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000103295845 1026072206 /nfs/dbraw/zinc/07/22/06/1026072206.db2.gz LELPRFKZAHKXSR-CQSZACIVSA-N 1 2 346.862 3.694 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451525200 1026077612 /nfs/dbraw/zinc/07/76/12/1026077612.db2.gz FQFOANINJDJRBA-IAQYHMDHSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451525200 1026077625 /nfs/dbraw/zinc/07/76/25/1026077625.db2.gz FQFOANINJDJRBA-IAQYHMDHSA-N 1 2 345.270 3.679 20 0 EHADLO CO[C@H]1CCCC[C@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820906 1026082647 /nfs/dbraw/zinc/08/26/47/1026082647.db2.gz MCVXNEADVAYEJJ-SJORKVTESA-N 1 2 338.411 3.519 20 0 EHADLO CC(C)c1ccoc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000342524655 1026084738 /nfs/dbraw/zinc/08/47/38/1026084738.db2.gz RLTJKKLEUFWSKT-UHFFFAOYSA-N 1 2 329.444 3.932 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2ncnc3sc4c(c32)CCC4)[nH+]c1C ZINC000895191934 1026084929 /nfs/dbraw/zinc/08/49/29/1026084929.db2.gz CWQWEFPMZDNKOK-CYBMUJFWSA-N 1 2 339.468 3.861 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451541102 1026087253 /nfs/dbraw/zinc/08/72/53/1026087253.db2.gz LMKCJCKQLYFPLX-XHDPSFHLSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451541102 1026087272 /nfs/dbraw/zinc/08/72/72/1026087272.db2.gz LMKCJCKQLYFPLX-XHDPSFHLSA-N 1 2 345.270 3.679 20 0 EHADLO CCc1cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)nc(-c2ccncc2)n1 ZINC000895193937 1026088993 /nfs/dbraw/zinc/08/89/93/1026088993.db2.gz WQMXROVWIFUMBY-KRWDZBQOSA-N 1 2 348.454 3.782 20 0 EHADLO COC1CCC(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC000896823820 1026093643 /nfs/dbraw/zinc/09/36/43/1026093643.db2.gz PEEYMISERJZFDS-UHFFFAOYSA-N 1 2 338.411 3.519 20 0 EHADLO Cc1ccc(F)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042469973 1026096690 /nfs/dbraw/zinc/09/66/90/1026096690.db2.gz IBOUYVIBRLPULC-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2nc(-c3ccccc3)ns2)[nH+]c1C ZINC000895193238 1026096763 /nfs/dbraw/zinc/09/67/63/1026096763.db2.gz NOZDGWIXVJXNMS-AWEZNQCLSA-N 1 2 325.441 3.887 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000277578731 1026120986 /nfs/dbraw/zinc/12/09/86/1026120986.db2.gz OILLYCKJAVNFBZ-LJQANCHMSA-N 1 2 339.483 3.804 20 0 EHADLO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436775018 1026148816 /nfs/dbraw/zinc/14/88/16/1026148816.db2.gz WGJXKMMTWBQVMC-UHFFFAOYSA-N 1 2 342.842 3.521 20 0 EHADLO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436775018 1026148825 /nfs/dbraw/zinc/14/88/25/1026148825.db2.gz WGJXKMMTWBQVMC-UHFFFAOYSA-N 1 2 342.842 3.521 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2OC)s1 ZINC000122035941 1026160826 /nfs/dbraw/zinc/16/08/26/1026160826.db2.gz LYGOGDUMXNPDIG-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2OC)s1 ZINC000122035941 1026160832 /nfs/dbraw/zinc/16/08/32/1026160832.db2.gz LYGOGDUMXNPDIG-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000475122317 1026197313 /nfs/dbraw/zinc/19/73/13/1026197313.db2.gz VFEXUNWZHDMUBS-PMACEKPBSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000475122317 1026197318 /nfs/dbraw/zinc/19/73/18/1026197318.db2.gz VFEXUNWZHDMUBS-PMACEKPBSA-N 1 2 345.483 3.682 20 0 EHADLO Cc1cc(Br)c(F)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582423841 1026220385 /nfs/dbraw/zinc/22/03/85/1026220385.db2.gz MZMAMLVYMIUOIW-JTQLQIEISA-N 1 2 340.196 3.683 20 0 EHADLO O=C(CC1CCCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000530701539 1026229602 /nfs/dbraw/zinc/22/96/02/1026229602.db2.gz HEKMXPZFAVQXFM-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724654 1026251263 /nfs/dbraw/zinc/25/12/63/1026251263.db2.gz TUNMDKYIPCCFRM-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724654 1026251271 /nfs/dbraw/zinc/25/12/71/1026251271.db2.gz TUNMDKYIPCCFRM-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c(C)c1C ZINC000511124680 1026251351 /nfs/dbraw/zinc/25/13/51/1026251351.db2.gz LQVZJSDLLAHWMH-UHFFFAOYSA-N 1 2 330.453 3.994 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c(C)c1C ZINC000511124680 1026251359 /nfs/dbraw/zinc/25/13/59/1026251359.db2.gz LQVZJSDLLAHWMH-UHFFFAOYSA-N 1 2 330.453 3.994 20 0 EHADLO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000897037132 1026257030 /nfs/dbraw/zinc/25/70/30/1026257030.db2.gz GUSONVQFMZEGPF-UHFFFAOYSA-N 1 2 347.324 3.904 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2Oc2cccnc2)CC[S@@]1=O ZINC000451755484 1026262997 /nfs/dbraw/zinc/26/29/97/1026262997.db2.gz KTDXCWLOCKUVEU-DEOSSOPVSA-N 1 2 344.480 3.607 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2Oc2cccnc2)CC[S@@]1=O ZINC000451755484 1026263008 /nfs/dbraw/zinc/26/30/08/1026263008.db2.gz KTDXCWLOCKUVEU-DEOSSOPVSA-N 1 2 344.480 3.607 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC[C@H]3Cc3ccccc3)no2)cc1 ZINC000530756577 1026267625 /nfs/dbraw/zinc/26/76/25/1026267625.db2.gz XVUABZZTXKAWKZ-KRWDZBQOSA-N 1 2 335.407 3.562 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC[C@H]3Cc3ccccc3)no2)cc1 ZINC000530756577 1026267634 /nfs/dbraw/zinc/26/76/34/1026267634.db2.gz XVUABZZTXKAWKZ-KRWDZBQOSA-N 1 2 335.407 3.562 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000511128739 1026304253 /nfs/dbraw/zinc/30/42/53/1026304253.db2.gz YBLKLWJYIMEUQR-NRFANRHFSA-N 1 2 336.435 3.636 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000511128739 1026304269 /nfs/dbraw/zinc/30/42/69/1026304269.db2.gz YBLKLWJYIMEUQR-NRFANRHFSA-N 1 2 336.435 3.636 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830140 1026312480 /nfs/dbraw/zinc/31/24/80/1026312480.db2.gz CSTXLPHCPHPOAR-QFBILLFUSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830140 1026312494 /nfs/dbraw/zinc/31/24/94/1026312494.db2.gz CSTXLPHCPHPOAR-QFBILLFUSA-N 1 2 338.451 3.820 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848347 1026322467 /nfs/dbraw/zinc/32/24/67/1026322467.db2.gz ZHFPMFINGPXLNP-APWZRJJASA-N 1 2 338.451 3.554 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848347 1026322478 /nfs/dbraw/zinc/32/24/78/1026322478.db2.gz ZHFPMFINGPXLNP-APWZRJJASA-N 1 2 338.451 3.554 20 0 EHADLO Cn1nc(C[NH2+]Cc2cccc(OC3CC3)c2F)c2ccccc21 ZINC000657437067 1026339512 /nfs/dbraw/zinc/33/95/12/1026339512.db2.gz YCCVROVFGHNVIR-UHFFFAOYSA-N 1 2 325.387 3.543 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548738333 1026339926 /nfs/dbraw/zinc/33/99/26/1026339926.db2.gz HSFGGNJFRZNDEY-IUODEOHRSA-N 1 2 327.428 3.561 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H](C2CC2)C1 ZINC000342582251 1026354669 /nfs/dbraw/zinc/35/46/69/1026354669.db2.gz HMTKRSJLTFGESK-OAHLLOKOSA-N 1 2 348.516 3.783 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2c(F)ccc(Br)c2F)cn1 ZINC000451889680 1026355202 /nfs/dbraw/zinc/35/52/02/1026355202.db2.gz MRHMSHXBRULJQE-VIFPVBQESA-N 1 2 344.203 3.795 20 0 EHADLO COC1(C)CC[NH+](Cc2cc(F)c(F)cc2Br)CC1 ZINC001142003838 1026404030 /nfs/dbraw/zinc/40/40/30/1026404030.db2.gz ZXIKKOTVOXVNPO-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000451961670 1026399467 /nfs/dbraw/zinc/39/94/67/1026399467.db2.gz DXRHTICQBFSUTH-QGZVFWFLSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000451961670 1026399482 /nfs/dbraw/zinc/39/94/82/1026399482.db2.gz DXRHTICQBFSUTH-QGZVFWFLSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(O)c1 ZINC000530939007 1026421891 /nfs/dbraw/zinc/42/18/91/1026421891.db2.gz UYCBVQKWYQFPEK-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(O)c1 ZINC000530939007 1026421897 /nfs/dbraw/zinc/42/18/97/1026421897.db2.gz UYCBVQKWYQFPEK-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO CCC[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000104834817 1026423330 /nfs/dbraw/zinc/42/33/30/1026423330.db2.gz BSRNVWRDIFDMIF-LJQANCHMSA-N 1 2 342.508 3.976 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000451971682 1026428371 /nfs/dbraw/zinc/42/83/71/1026428371.db2.gz NIVHLOJXGRCDNX-CYBMUJFWSA-N 1 2 343.324 3.959 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000451971682 1026428379 /nfs/dbraw/zinc/42/83/79/1026428379.db2.gz NIVHLOJXGRCDNX-CYBMUJFWSA-N 1 2 343.324 3.959 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000475294409 1026437675 /nfs/dbraw/zinc/43/76/75/1026437675.db2.gz ZKOVCGCFGUFNOB-BMIGLBTASA-N 1 2 331.790 3.941 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000475294409 1026437683 /nfs/dbraw/zinc/43/76/83/1026437683.db2.gz ZKOVCGCFGUFNOB-BMIGLBTASA-N 1 2 331.790 3.941 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167895360 1026508102 /nfs/dbraw/zinc/50/81/02/1026508102.db2.gz NSDLLYOBAVFRFA-DYVFJYSZSA-N 1 2 341.459 3.546 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000342628374 1026508630 /nfs/dbraw/zinc/50/86/30/1026508630.db2.gz CUPIRJRCMZSDOB-KRWDZBQOSA-N 1 2 345.830 3.986 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630373 1026512187 /nfs/dbraw/zinc/51/21/87/1026512187.db2.gz JEJZDKKXTXHEDS-HOTGVXAUSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630373 1026512193 /nfs/dbraw/zinc/51/21/93/1026512193.db2.gz JEJZDKKXTXHEDS-HOTGVXAUSA-N 1 2 340.467 3.856 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 ZINC000056171945 1026515066 /nfs/dbraw/zinc/51/50/66/1026515066.db2.gz MVVZTDPETWUQHY-FQEVSTJZSA-N 1 2 349.409 3.999 20 0 EHADLO CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475369741 1026530270 /nfs/dbraw/zinc/53/02/70/1026530270.db2.gz MWUWYVVVWBDLLC-UHFFFAOYSA-N 1 2 344.418 3.829 20 0 EHADLO CSc1ccc(CNc2cc(CSCCO)cc[nH+]2)s1 ZINC000352850638 1026561605 /nfs/dbraw/zinc/56/16/05/1026561605.db2.gz YKMSTGOKNRCXMJ-UHFFFAOYSA-N 1 2 326.512 3.703 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582554929 1026575273 /nfs/dbraw/zinc/57/52/73/1026575273.db2.gz XZHGRJRJJPHPTI-AEFFLSMTSA-N 1 2 344.842 3.829 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582554929 1026575284 /nfs/dbraw/zinc/57/52/84/1026575284.db2.gz XZHGRJRJJPHPTI-AEFFLSMTSA-N 1 2 344.842 3.829 20 0 EHADLO Cc1c(Cl)cncc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452232356 1026591557 /nfs/dbraw/zinc/59/15/57/1026591557.db2.gz ZJLQMTMVUNGMJD-OAHLLOKOSA-N 1 2 338.238 3.938 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000152703258 1026608491 /nfs/dbraw/zinc/60/84/91/1026608491.db2.gz ZKJMXLNICUMHNC-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC(C)(C)C2)C[C@@H](C)O1 ZINC000665626441 1026608684 /nfs/dbraw/zinc/60/86/84/1026608684.db2.gz XWXHAUCNAWHSRE-HUUCEWRRSA-N 1 2 345.487 3.606 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665626283 1026611014 /nfs/dbraw/zinc/61/10/14/1026611014.db2.gz UUSYXIDWPKDQEJ-GVDBMIGSSA-N 1 2 347.503 3.854 20 0 EHADLO CC[C@H](C)OCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277715933 1026661118 /nfs/dbraw/zinc/66/11/18/1026661118.db2.gz NXIUHVUNBAVPRU-AWEZNQCLSA-N 1 2 327.428 3.640 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332219 1026664000 /nfs/dbraw/zinc/66/40/00/1026664000.db2.gz GGOQOEDGFSYPMV-GFCCVEGCSA-N 1 2 333.432 3.725 20 0 EHADLO O=C(NCC[C@H]1CCc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452310664 1026669443 /nfs/dbraw/zinc/66/94/43/1026669443.db2.gz FNQADJOJFOMAAX-LJQANCHMSA-N 1 2 345.446 3.781 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342675138 1026669863 /nfs/dbraw/zinc/66/98/63/1026669863.db2.gz JTPUMQSQGMWMMK-RTBURBONSA-N 1 2 348.450 3.936 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1Cl ZINC000531204211 1026684558 /nfs/dbraw/zinc/68/45/58/1026684558.db2.gz GHKIVRGIQQRILW-LRDDRELGSA-N 1 2 332.806 3.935 20 0 EHADLO Cc1ncsc1-c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000657481894 1026686944 /nfs/dbraw/zinc/68/69/44/1026686944.db2.gz ZQFYCRFNJUHQGZ-UHFFFAOYSA-N 1 2 332.860 3.795 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000178611978 1026703630 /nfs/dbraw/zinc/70/36/30/1026703630.db2.gz LUCZFFPHBNULQB-CYBMUJFWSA-N 1 2 329.893 3.689 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000178611978 1026703638 /nfs/dbraw/zinc/70/36/38/1026703638.db2.gz LUCZFFPHBNULQB-CYBMUJFWSA-N 1 2 329.893 3.689 20 0 EHADLO CC(C)(C)c1csc(CCNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000301226291 1026729517 /nfs/dbraw/zinc/72/95/17/1026729517.db2.gz BVMITHDBNCUHNI-UHFFFAOYSA-N 1 2 345.516 3.876 20 0 EHADLO CC(C)(C)c1csc(CCNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000301226291 1026729529 /nfs/dbraw/zinc/72/95/29/1026729529.db2.gz BVMITHDBNCUHNI-UHFFFAOYSA-N 1 2 345.516 3.876 20 0 EHADLO CC(C)Oc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301232157 1026731148 /nfs/dbraw/zinc/73/11/48/1026731148.db2.gz IGTWSGMNIYAKKC-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO CC(C)Oc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301232157 1026731158 /nfs/dbraw/zinc/73/11/58/1026731158.db2.gz IGTWSGMNIYAKKC-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO CC(C)c1noc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301318073 1026761503 /nfs/dbraw/zinc/76/15/03/1026761503.db2.gz BZGFYKRDXDFQBZ-GFCCVEGCSA-N 1 2 336.386 3.548 20 0 EHADLO CC(C)c1noc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301318073 1026761509 /nfs/dbraw/zinc/76/15/09/1026761509.db2.gz BZGFYKRDXDFQBZ-GFCCVEGCSA-N 1 2 336.386 3.548 20 0 EHADLO OCc1cc2ccccc2nc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301357679 1026774831 /nfs/dbraw/zinc/77/48/31/1026774831.db2.gz YXIAIDCUYBUYBF-UHFFFAOYSA-N 1 2 344.418 3.584 20 0 EHADLO COc1ccc(C(=O)C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301437111 1026805426 /nfs/dbraw/zinc/80/54/26/1026805426.db2.gz KNDHFZFYNYECLP-UHFFFAOYSA-N 1 2 339.439 3.510 20 0 EHADLO CC(C)c1noc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000301452853 1026810730 /nfs/dbraw/zinc/81/07/30/1026810730.db2.gz MAPQUBSDTOGFDT-ZDUSSCGKSA-N 1 2 334.851 3.730 20 0 EHADLO C[C@@H]([C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1CCCCC1 ZINC000301481088 1026822934 /nfs/dbraw/zinc/82/29/34/1026822934.db2.gz DRPZGYPUXPERRK-YESZJQIVSA-N 1 2 346.519 3.702 20 0 EHADLO C[C@@H]([C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000301481088 1026822945 /nfs/dbraw/zinc/82/29/45/1026822945.db2.gz DRPZGYPUXPERRK-YESZJQIVSA-N 1 2 346.519 3.702 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000452589102 1026840224 /nfs/dbraw/zinc/84/02/24/1026840224.db2.gz KIBAYSIRIQGBMI-GUYCJALGSA-N 1 2 347.821 3.506 20 0 EHADLO Cc1cccc2ncnc(NCc3ccc(Cn4cc[nH+]c4)cc3)c12 ZINC000301539028 1026843710 /nfs/dbraw/zinc/84/37/10/1026843710.db2.gz NKZJUYZRLUOZSL-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@H]1n1cc[nH+]c1 ZINC000122906416 1026853763 /nfs/dbraw/zinc/85/37/63/1026853763.db2.gz YWYRRWWUFPUUCG-OXQOHEQNSA-N 1 2 348.450 3.612 20 0 EHADLO Cc1nc(NCc2cn3cc(Cl)ccc3n2)c2c([nH+]1)CCCC2 ZINC000301559471 1026854937 /nfs/dbraw/zinc/85/49/37/1026854937.db2.gz JUULBINCEPPZKD-UHFFFAOYSA-N 1 2 327.819 3.577 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000452586994 1026856086 /nfs/dbraw/zinc/85/60/86/1026856086.db2.gz FPPZNLDAHUWMMQ-DYVFJYSZSA-N 1 2 347.821 3.506 20 0 EHADLO Cc1nc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c(C)[nH+]1 ZINC000301628643 1026881064 /nfs/dbraw/zinc/88/10/64/1026881064.db2.gz APFYYYUVWVTYEF-UHFFFAOYSA-N 1 2 348.853 3.517 20 0 EHADLO Cc1nc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c(C)[nH+]1 ZINC000301677957 1026899077 /nfs/dbraw/zinc/89/90/77/1026899077.db2.gz IKNQBDAKULVQLV-UHFFFAOYSA-N 1 2 349.438 3.836 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(OC(F)F)cc1 ZINC000301787744 1026938082 /nfs/dbraw/zinc/93/80/82/1026938082.db2.gz PLFZPRLYDVJDHM-SNVBAGLBSA-N 1 2 330.338 3.987 20 0 EHADLO Clc1ccc2nc(C[NH2+]Cc3ccc4c(n3)CCCC4)cn2c1 ZINC000277790120 1026945345 /nfs/dbraw/zinc/94/53/45/1026945345.db2.gz WEBWGUXCQYEBBD-UHFFFAOYSA-N 1 2 326.831 3.551 20 0 EHADLO CC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000301815459 1026949281 /nfs/dbraw/zinc/94/92/81/1026949281.db2.gz IRDNREFELLFHAD-UHFFFAOYSA-N 1 2 340.471 3.756 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCCCC2CCC2)c1)[NH+]1CCOCC1 ZINC000666003523 1026962692 /nfs/dbraw/zinc/96/26/92/1026962692.db2.gz IQXJFXDIARHYSE-INIZCTEOSA-N 1 2 345.487 3.782 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc(F)cc1F ZINC000301865449 1026971090 /nfs/dbraw/zinc/97/10/90/1026971090.db2.gz FUSXUGQTRJIQFU-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO Cc1ccc(OCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301876332 1026974939 /nfs/dbraw/zinc/97/49/39/1026974939.db2.gz IQMHSSQTQSGCEA-UHFFFAOYSA-N 1 2 339.443 3.771 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000301883999 1026978672 /nfs/dbraw/zinc/97/86/72/1026978672.db2.gz NTOJKLWPWVFKQG-CYBMUJFWSA-N 1 2 347.422 3.512 20 0 EHADLO COc1cc(CCNc2[nH+]cnc3c2cnn3C(C)(C)C)ccc1C ZINC000301885663 1026979499 /nfs/dbraw/zinc/97/94/99/1026979499.db2.gz MAUXTUNPZDQTBW-UHFFFAOYSA-N 1 2 339.443 3.553 20 0 EHADLO Cc1ccc(O[C@@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301891508 1026981763 /nfs/dbraw/zinc/98/17/63/1026981763.db2.gz OESXCHKGWNZVTG-AWEZNQCLSA-N 1 2 339.443 3.769 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2c[nH]cc2C2CC2)c1)[NH+]1CCOCC1 ZINC000639679907 1026996329 /nfs/dbraw/zinc/99/63/29/1026996329.db2.gz OCCLMTOYGHSPLI-CQSZACIVSA-N 1 2 339.439 3.538 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000582704024 1026998492 /nfs/dbraw/zinc/99/84/92/1026998492.db2.gz BBQZOUGZZKEKQD-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000582704024 1026998500 /nfs/dbraw/zinc/99/85/00/1026998500.db2.gz BBQZOUGZZKEKQD-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000123159280 1027005349 /nfs/dbraw/zinc/00/53/49/1027005349.db2.gz UPAIHCFSLLOGPH-KRWDZBQOSA-N 1 2 339.414 3.883 20 0 EHADLO Fc1cccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000123159280 1027005359 /nfs/dbraw/zinc/00/53/59/1027005359.db2.gz UPAIHCFSLLOGPH-KRWDZBQOSA-N 1 2 339.414 3.883 20 0 EHADLO CC[C@](C)(NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666004089 1027015528 /nfs/dbraw/zinc/01/55/28/1027015528.db2.gz STQNEWWMNHXLOH-YWZLYKJASA-N 1 2 345.487 3.780 20 0 EHADLO CC(C)(C)c1ncc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000342778063 1027018430 /nfs/dbraw/zinc/01/84/30/1027018430.db2.gz JNCCJUIEJWERSQ-UHFFFAOYSA-N 1 2 325.391 3.711 20 0 EHADLO Cc1nc(NC[C@@H](O)c2cccc(OC(C)C)c2)c2c([nH+]1)CCCC2 ZINC000302055917 1027037048 /nfs/dbraw/zinc/03/70/48/1027037048.db2.gz QNBXECDEGBMYLM-LJQANCHMSA-N 1 2 341.455 3.597 20 0 EHADLO Cc1nc(N(C)Cc2nccn2Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC000302059672 1027038406 /nfs/dbraw/zinc/03/84/06/1027038406.db2.gz BGBUKMCOQQVYKZ-UHFFFAOYSA-N 1 2 347.466 3.545 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)C2 ZINC000342789106 1027066461 /nfs/dbraw/zinc/06/64/61/1027066461.db2.gz XKQCFKQBBODFNI-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1cnc(C(C)(C)C)nc1)C2 ZINC000342789106 1027066469 /nfs/dbraw/zinc/06/64/69/1027066469.db2.gz XKQCFKQBBODFNI-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000074769715 1027073544 /nfs/dbraw/zinc/07/35/44/1027073544.db2.gz YCNAMFLTAGNMTG-FUHWJXTLSA-N 1 2 340.471 3.547 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000302190088 1027084355 /nfs/dbraw/zinc/08/43/55/1027084355.db2.gz VJWZYAKSQKLEEF-ZIAGYGMSSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000302190088 1027084360 /nfs/dbraw/zinc/08/43/60/1027084360.db2.gz VJWZYAKSQKLEEF-ZIAGYGMSSA-N 1 2 346.862 3.654 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cnc(C)s1)CC2 ZINC000125686262 1027111790 /nfs/dbraw/zinc/11/17/90/1027111790.db2.gz UFMWZNDOSCVENA-UHFFFAOYSA-N 1 2 332.469 3.807 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cnc(C)s1)CC2 ZINC000125686262 1027111803 /nfs/dbraw/zinc/11/18/03/1027111803.db2.gz UFMWZNDOSCVENA-UHFFFAOYSA-N 1 2 332.469 3.807 20 0 EHADLO Brc1cccc2c1CN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000302281785 1027115704 /nfs/dbraw/zinc/11/57/04/1027115704.db2.gz UXUXHZINVQYZHU-UHFFFAOYSA-N 1 2 345.244 3.581 20 0 EHADLO Brc1cccc2c1CN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000302281785 1027115713 /nfs/dbraw/zinc/11/57/13/1027115713.db2.gz UXUXHZINVQYZHU-UHFFFAOYSA-N 1 2 345.244 3.581 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000277835281 1027127309 /nfs/dbraw/zinc/12/73/09/1027127309.db2.gz YXOMPRBEHHIYEQ-IUODEOHRSA-N 1 2 339.361 3.638 20 0 EHADLO CC(C)C[C@@H]1OCCC[C@@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302388830 1027138058 /nfs/dbraw/zinc/13/80/58/1027138058.db2.gz FNVSCOGEIYGGDU-GJZGRUSLSA-N 1 2 331.464 3.587 20 0 EHADLO Cc1c[nH+]c(CN2CCc3sccc3[C@@H]2c2cccs2)n1C ZINC000342799026 1027141344 /nfs/dbraw/zinc/14/13/44/1027141344.db2.gz MFGBICQIMSHEKS-QGZVFWFLSA-N 1 2 329.494 3.999 20 0 EHADLO COc1cccc2c(N3CCCN(c4ccccc4)CC3)cc[nH+]c12 ZINC000302419580 1027146536 /nfs/dbraw/zinc/14/65/36/1027146536.db2.gz IQKKVJGNNFVFBC-UHFFFAOYSA-N 1 2 333.435 3.960 20 0 EHADLO CC(C)Oc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075534436 1027146562 /nfs/dbraw/zinc/14/65/62/1027146562.db2.gz ZITRMRHLBIMGNO-PYUISTEWSA-N 1 2 339.439 3.616 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000126113019 1027162055 /nfs/dbraw/zinc/16/20/55/1027162055.db2.gz KKSXCXZVLAHNOA-GOSISDBHSA-N 1 2 337.467 3.760 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc3c(s1)C[C@H](C)CC3)C2 ZINC000123319628 1027168525 /nfs/dbraw/zinc/16/85/25/1027168525.db2.gz XWMUYRHXSZJDFL-CYBMUJFWSA-N 1 2 344.528 3.683 20 0 EHADLO c1cc(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cs1 ZINC000302500792 1027169502 /nfs/dbraw/zinc/16/95/02/1027169502.db2.gz VNQCEUOUZHQXQY-UHFFFAOYSA-N 1 2 328.485 3.912 20 0 EHADLO c1cc(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cs1 ZINC000302500792 1027169516 /nfs/dbraw/zinc/16/95/16/1027169516.db2.gz VNQCEUOUZHQXQY-UHFFFAOYSA-N 1 2 328.485 3.912 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000075955403 1027211665 /nfs/dbraw/zinc/21/16/65/1027211665.db2.gz ASZVJPXJPZWPIW-UHFFFAOYSA-N 1 2 326.444 3.509 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2cccc(Br)c2)cs1 ZINC000044609638 1027220293 /nfs/dbraw/zinc/22/02/93/1027220293.db2.gz WOASTGMJGSTLGK-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2cccc(Br)c2)cs1 ZINC000044609638 1027220306 /nfs/dbraw/zinc/22/03/06/1027220306.db2.gz WOASTGMJGSTLGK-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414431972 1027238572 /nfs/dbraw/zinc/23/85/72/1027238572.db2.gz LZBQMPOSDICRQM-OAHLLOKOSA-N 1 2 349.521 3.758 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414431972 1027238592 /nfs/dbraw/zinc/23/85/92/1027238592.db2.gz LZBQMPOSDICRQM-OAHLLOKOSA-N 1 2 349.521 3.758 20 0 EHADLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2ccc(F)c(F)c2n1 ZINC000302691230 1027239910 /nfs/dbraw/zinc/23/99/10/1027239910.db2.gz CMEDCWMMXZMXPS-UHFFFAOYSA-N 1 2 340.377 3.543 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cc2c(s1)CCCC2 ZINC000531714100 1027240383 /nfs/dbraw/zinc/24/03/83/1027240383.db2.gz BMNMOMMXTGNDES-SECBINFHSA-N 1 2 340.290 3.963 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](CO)c2c(F)cccc2F)c1C ZINC000273090145 1027264475 /nfs/dbraw/zinc/26/44/75/1027264475.db2.gz JIWUJFPPYZAGQP-GOSISDBHSA-N 1 2 347.405 3.916 20 0 EHADLO C[C@H](c1ccccc1Br)N1CC[NH+](Cc2ccco2)CC1 ZINC000513713942 1027265911 /nfs/dbraw/zinc/26/59/11/1027265911.db2.gz VVMVSDLLVRPKCD-CQSZACIVSA-N 1 2 349.272 3.921 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](Nc1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000302769141 1027279496 /nfs/dbraw/zinc/27/94/96/1027279496.db2.gz AYZOAVGMLJVVKR-SFHVURJKSA-N 1 2 338.455 3.536 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](Nc1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000302769141 1027279506 /nfs/dbraw/zinc/27/95/06/1027279506.db2.gz AYZOAVGMLJVVKR-SFHVURJKSA-N 1 2 338.455 3.536 20 0 EHADLO COc1ccc(CN(Cc2[nH+]cc(C)n2C)Cc2ccccc2)cc1 ZINC000342809726 1027307538 /nfs/dbraw/zinc/30/75/38/1027307538.db2.gz TYOWOOYEVOWJTL-UHFFFAOYSA-N 1 2 335.451 3.940 20 0 EHADLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccncc1 ZINC000453063379 1027312949 /nfs/dbraw/zinc/31/29/49/1027312949.db2.gz FOBHCGNOMRXRFE-RTBURBONSA-N 1 2 336.439 3.654 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000273275687 1027350258 /nfs/dbraw/zinc/35/02/58/1027350258.db2.gz IKDLDEUJJKIIBQ-LBPRGKRZSA-N 1 2 343.379 3.980 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OC)nc3)n2)cc1 ZINC000273287377 1027358013 /nfs/dbraw/zinc/35/80/13/1027358013.db2.gz IAONNDNRUZCBKQ-ZDUSSCGKSA-N 1 2 338.411 3.553 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OCC ZINC000657571124 1027364709 /nfs/dbraw/zinc/36/47/09/1027364709.db2.gz WDXKXNKZMWCECM-HOCLYGCPSA-N 1 2 344.459 3.651 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)o1 ZINC000657571288 1027364924 /nfs/dbraw/zinc/36/49/24/1027364924.db2.gz XKDFMZWMEAESEU-LRDDRELGSA-N 1 2 326.375 3.781 20 0 EHADLO Cc1ccc2nc([C@@H]3CCCN(c4[nH+]cnc5[nH]ccc54)C3)[nH]c2c1 ZINC000273318988 1027372610 /nfs/dbraw/zinc/37/26/10/1027372610.db2.gz OZXURJXHFGCNHA-CYBMUJFWSA-N 1 2 332.411 3.527 20 0 EHADLO CC(C)c1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045956660 1027373954 /nfs/dbraw/zinc/37/39/54/1027373954.db2.gz RZIRRKLQTKIQDR-UHFFFAOYSA-N 1 2 338.455 3.996 20 0 EHADLO O=C(NC1CC(c2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000077337744 1027397919 /nfs/dbraw/zinc/39/79/19/1027397919.db2.gz MLCGWHOVKPVZSO-UHFFFAOYSA-N 1 2 331.419 3.607 20 0 EHADLO Cc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)o1 ZINC000171234897 1027400311 /nfs/dbraw/zinc/40/03/11/1027400311.db2.gz OMTKSQZKIOGEHN-LPHOPBHVSA-N 1 2 326.440 3.992 20 0 EHADLO COc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c(OC(F)F)c1 ZINC000475488428 1027401493 /nfs/dbraw/zinc/40/14/93/1027401493.db2.gz VELOLGVCEQZLMJ-UHFFFAOYSA-N 1 2 347.321 3.505 20 0 EHADLO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000046195367 1027403183 /nfs/dbraw/zinc/40/31/83/1027403183.db2.gz DHCBHBFAWGDJFU-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128238702 1027409593 /nfs/dbraw/zinc/40/95/93/1027409593.db2.gz BHNVYMSQBUQARY-UKRRQHHQSA-N 1 2 331.485 3.738 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128238702 1027409599 /nfs/dbraw/zinc/40/95/99/1027409599.db2.gz BHNVYMSQBUQARY-UKRRQHHQSA-N 1 2 331.485 3.738 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)s1 ZINC000273421018 1027419538 /nfs/dbraw/zinc/41/95/38/1027419538.db2.gz VIZVUGJKXLARJQ-NSHDSACASA-N 1 2 346.481 3.659 20 0 EHADLO Cc1cc(-c2nc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)co2)ccn1 ZINC001625980823 1027434962 /nfs/dbraw/zinc/43/49/62/1027434962.db2.gz DOPCCMKKGWXKFI-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000128578408 1027451314 /nfs/dbraw/zinc/45/13/14/1027451314.db2.gz QBNRAUZCZWWRRG-CYBMUJFWSA-N 1 2 334.872 3.921 20 0 EHADLO C[C@@H](CC(=O)N1CCCC[C@H]1Cc1ccccc1F)n1cc[nH+]c1 ZINC000650648891 1027478633 /nfs/dbraw/zinc/47/86/33/1027478633.db2.gz KGMBHMDJVFCVJA-RDJZCZTQSA-N 1 2 329.419 3.597 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)s1 ZINC000273599911 1027512277 /nfs/dbraw/zinc/51/22/77/1027512277.db2.gz LSRBKBXJQVJQTM-ZDUSSCGKSA-N 1 2 340.452 3.671 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(Br)c1 ZINC000501791900 1027537468 /nfs/dbraw/zinc/53/74/68/1027537468.db2.gz HRTXYKIQMSWZDY-STQMWFEESA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(Br)c1 ZINC000501791900 1027537477 /nfs/dbraw/zinc/53/74/77/1027537477.db2.gz HRTXYKIQMSWZDY-STQMWFEESA-N 1 2 339.277 3.674 20 0 EHADLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccc(SC)cc3Cl)no2)C1 ZINC000420487662 1027555330 /nfs/dbraw/zinc/55/53/30/1027555330.db2.gz MPHOJZCRAHPJIF-ZDUSSCGKSA-N 1 2 339.848 3.505 20 0 EHADLO CC[N@H+]1CCO[C@H](c2nc(-c3ccc(SC)cc3Cl)no2)C1 ZINC000420487662 1027555341 /nfs/dbraw/zinc/55/53/41/1027555341.db2.gz MPHOJZCRAHPJIF-ZDUSSCGKSA-N 1 2 339.848 3.505 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(Cc3cccc4ccccc43)no2)C1 ZINC000420479521 1027570364 /nfs/dbraw/zinc/57/03/64/1027570364.db2.gz GQRPQBJZWCIVHS-GOSISDBHSA-N 1 2 337.423 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(Cc3cccc4ccccc43)no2)C1 ZINC000420479521 1027570380 /nfs/dbraw/zinc/57/03/80/1027570380.db2.gz GQRPQBJZWCIVHS-GOSISDBHSA-N 1 2 337.423 3.595 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129535993 1027573942 /nfs/dbraw/zinc/57/39/42/1027573942.db2.gz WKCBOWFNSXTEIZ-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO O=C1NCCc2ccc(CNc3cc[nH+]c4c(Cl)cccc34)cc21 ZINC000342840901 1027581870 /nfs/dbraw/zinc/58/18/70/1027581870.db2.gz MPOGVMRNLAHOBJ-UHFFFAOYSA-N 1 2 337.810 3.786 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000129865669 1027609818 /nfs/dbraw/zinc/60/98/18/1027609818.db2.gz NHDFPHHWTHZWQV-HNNXBMFYSA-N 1 2 337.398 3.797 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000129865669 1027609823 /nfs/dbraw/zinc/60/98/23/1027609823.db2.gz NHDFPHHWTHZWQV-HNNXBMFYSA-N 1 2 337.398 3.797 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1Cl ZINC000078287979 1027613381 /nfs/dbraw/zinc/61/33/81/1027613381.db2.gz XFRSPUFXMDEBJE-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO c1csc(C[NH+]2CCN(c3nc(C4CCCC4)ns3)CC2)c1 ZINC000420586917 1027631195 /nfs/dbraw/zinc/63/11/95/1027631195.db2.gz OYGYJCNMYQQRGX-UHFFFAOYSA-N 1 2 334.514 3.579 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)n2C)[C@H](C)C2CC2)c(OC)c1 ZINC000342851312 1027641878 /nfs/dbraw/zinc/64/18/78/1027641878.db2.gz BNRDMERESZFTTL-OAHLLOKOSA-N 1 2 343.471 3.546 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)n2C)[C@H](C)C2CC2)c(OC)c1 ZINC000342851312 1027641881 /nfs/dbraw/zinc/64/18/81/1027641881.db2.gz BNRDMERESZFTTL-OAHLLOKOSA-N 1 2 343.471 3.546 20 0 EHADLO COc1ccc(CN(Cc2[nH+]cc(C)n2C)[C@H](C)C2CC2)c(OC)c1 ZINC000342851312 1027641886 /nfs/dbraw/zinc/64/18/86/1027641886.db2.gz BNRDMERESZFTTL-OAHLLOKOSA-N 1 2 343.471 3.546 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3cccnc3C2)cc1OC(F)(F)F ZINC001143447405 1027661607 /nfs/dbraw/zinc/66/16/07/1027661607.db2.gz UXDXNJBHZOXKBE-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3cccnc3C2)cc1OC(F)(F)F ZINC001143447405 1027661609 /nfs/dbraw/zinc/66/16/09/1027661609.db2.gz UXDXNJBHZOXKBE-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO C[NH2+]Cc1noc([C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000414645351 1027669661 /nfs/dbraw/zinc/66/96/61/1027669661.db2.gz QQWKZUVSRHCHPK-FZMZJTMJSA-N 1 2 342.226 3.731 20 0 EHADLO CSCC[C@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425178575 1027679590 /nfs/dbraw/zinc/67/95/90/1027679590.db2.gz LWOYKWBPJAKRTB-HOCLYGCPSA-N 1 2 331.485 3.532 20 0 EHADLO CCCOc1cccc2c(NC[C@](C)(O)C(F)(F)F)cc[nH+]c12 ZINC000501982479 1027680683 /nfs/dbraw/zinc/68/06/83/1027680683.db2.gz KSHMUYOIYJWRDM-HNNXBMFYSA-N 1 2 328.334 3.749 20 0 EHADLO C[C@@H](Cc1ccccc1F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000130586440 1027682946 /nfs/dbraw/zinc/68/29/46/1027682946.db2.gz AMOQMQIGTXFBRW-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO Cn1ncc2c1CCC[N@H+](Cc1ccc(Sc3ccccn3)o1)C2 ZINC000414468790 1027707065 /nfs/dbraw/zinc/70/70/65/1027707065.db2.gz FBEIFLCUSRPYJI-UHFFFAOYSA-N 1 2 340.452 3.508 20 0 EHADLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(Sc3ccccn3)o1)C2 ZINC000414468790 1027707073 /nfs/dbraw/zinc/70/70/73/1027707073.db2.gz FBEIFLCUSRPYJI-UHFFFAOYSA-N 1 2 340.452 3.508 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000130839643 1027707575 /nfs/dbraw/zinc/70/75/75/1027707575.db2.gz UHDYICPPKNZFQV-AWEZNQCLSA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000130839643 1027707588 /nfs/dbraw/zinc/70/75/88/1027707588.db2.gz UHDYICPPKNZFQV-AWEZNQCLSA-N 1 2 337.533 3.798 20 0 EHADLO CCCN(CCC)C(=O)c1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000342865073 1027728220 /nfs/dbraw/zinc/72/82/20/1027728220.db2.gz XIDUITFXAQTSQC-UHFFFAOYSA-N 1 2 328.460 3.603 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000347332619 1027740889 /nfs/dbraw/zinc/74/08/89/1027740889.db2.gz CFBZNWYCGZQAIU-WMLDXEAASA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000347332619 1027740901 /nfs/dbraw/zinc/74/09/01/1027740901.db2.gz CFBZNWYCGZQAIU-WMLDXEAASA-N 1 2 334.485 3.624 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CSC2 ZINC000657642297 1027760540 /nfs/dbraw/zinc/76/05/40/1027760540.db2.gz ZELHTEFZZNDHIY-GFCCVEGCSA-N 1 2 341.299 3.983 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000455169152 1027771822 /nfs/dbraw/zinc/77/18/22/1027771822.db2.gz YOPMLCKJEASMFY-CYBMUJFWSA-N 1 2 330.407 3.507 20 0 EHADLO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000665844231 1027792187 /nfs/dbraw/zinc/79/21/87/1027792187.db2.gz KJRAKBANXXDSQE-YJBOKZPZSA-N 1 2 349.425 3.514 20 0 EHADLO Cc1cc(CNC(=O)NCCCc2c[nH]c3ccccc23)cc(C)[nH+]1 ZINC000420852779 1027794803 /nfs/dbraw/zinc/79/48/03/1027794803.db2.gz SKQWXPDYGXKLNF-UHFFFAOYSA-N 1 2 336.439 3.612 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000105092392 1027798590 /nfs/dbraw/zinc/79/85/90/1027798590.db2.gz OEPZYQKXGAQUFI-LJQANCHMSA-N 1 2 340.471 3.970 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000533392748 1027798934 /nfs/dbraw/zinc/79/89/34/1027798934.db2.gz IRBWATAQFWJGDX-HXUWFJFHSA-N 1 2 337.419 3.699 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000533392748 1027798945 /nfs/dbraw/zinc/79/89/45/1027798945.db2.gz IRBWATAQFWJGDX-HXUWFJFHSA-N 1 2 337.419 3.699 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2nc3ccccc3s2)cc(C)[nH+]1 ZINC000420856138 1027799444 /nfs/dbraw/zinc/79/94/44/1027799444.db2.gz XJMVUVHOBCRJEX-UHFFFAOYSA-N 1 2 340.452 3.650 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)no1 ZINC000503527541 1027846226 /nfs/dbraw/zinc/84/62/26/1027846226.db2.gz YZWAXXSCZXSDFL-HOTGVXAUSA-N 1 2 329.444 3.595 20 0 EHADLO OCCC[N@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(Cl)c1 ZINC000132141883 1027883367 /nfs/dbraw/zinc/88/33/67/1027883367.db2.gz JGHXEWNCSIGMMY-UHFFFAOYSA-N 1 2 329.831 3.601 20 0 EHADLO OCCC[N@@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(Cl)c1 ZINC000132141883 1027883386 /nfs/dbraw/zinc/88/33/86/1027883386.db2.gz JGHXEWNCSIGMMY-UHFFFAOYSA-N 1 2 329.831 3.601 20 0 EHADLO Cc1ncsc1C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000132332137 1027912846 /nfs/dbraw/zinc/91/28/46/1027912846.db2.gz HEFZIJSGKRIVHL-LLVKDONJSA-N 1 2 347.875 3.845 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955302 1027921164 /nfs/dbraw/zinc/92/11/64/1027921164.db2.gz WEYCFJXCBJERRR-OLZOCXBDSA-N 1 2 345.413 3.904 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955302 1027921173 /nfs/dbraw/zinc/92/11/73/1027921173.db2.gz WEYCFJXCBJERRR-OLZOCXBDSA-N 1 2 345.413 3.904 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000536618649 1027937761 /nfs/dbraw/zinc/93/77/61/1027937761.db2.gz UXXHZMSVRYGEAG-GFCCVEGCSA-N 1 2 348.244 3.766 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccccc3C)nc(=O)c2c1C ZINC000120243873 1027968134 /nfs/dbraw/zinc/96/81/34/1027968134.db2.gz JZTPIEBBLFFEPH-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)Cc3ccccc3C)nc(=O)c2c1C ZINC000120243873 1027968146 /nfs/dbraw/zinc/96/81/46/1027968146.db2.gz JZTPIEBBLFFEPH-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c(C)[nH+]1 ZINC000132893004 1027976950 /nfs/dbraw/zinc/97/69/50/1027976950.db2.gz DHMDJUZZVWAZNQ-UHFFFAOYSA-N 1 2 339.317 3.595 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861113 1027996396 /nfs/dbraw/zinc/99/63/96/1027996396.db2.gz MFLNUQAGHUSJAC-AWEZNQCLSA-N 1 2 329.444 3.532 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861114 1027997796 /nfs/dbraw/zinc/99/77/96/1027997796.db2.gz MFLNUQAGHUSJAC-CQSZACIVSA-N 1 2 329.444 3.532 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(N3CCCC3)cc2C)cc(C)[nH+]1 ZINC000421042996 1028026368 /nfs/dbraw/zinc/02/63/68/1028026368.db2.gz POVVRJNRIJZLCN-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO O=C(Cc1ccccc1O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444536892 1028029887 /nfs/dbraw/zinc/02/98/87/1028029887.db2.gz VBUGDICFCGITLI-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnnn1-c1ccccc1 ZINC000051562986 1028033835 /nfs/dbraw/zinc/03/38/35/1028033835.db2.gz AGAYRLGOWOROHI-CHWSQXEVSA-N 1 2 327.819 3.728 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153503490 1028049770 /nfs/dbraw/zinc/04/97/70/1028049770.db2.gz XJQDEWIQTQXTEI-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(COCC3CC3)c2)cc(C)[nH+]1 ZINC000421077110 1028063724 /nfs/dbraw/zinc/06/37/24/1028063724.db2.gz DJXRTTGDNODDEO-UHFFFAOYSA-N 1 2 339.439 3.947 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000444606331 1028071464 /nfs/dbraw/zinc/07/14/64/1028071464.db2.gz FXCSQTVIFLVVBG-LBPRGKRZSA-N 1 2 326.375 3.684 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000152483313 1028079173 /nfs/dbraw/zinc/07/91/73/1028079173.db2.gz OPCBPWUQFJPION-AWEZNQCLSA-N 1 2 331.847 3.532 20 0 EHADLO Cc1ccc(-n2cc(NC(=O)NCc3cc(C)[nH+]c(C)c3)cn2)c(C)c1 ZINC000421097530 1028082757 /nfs/dbraw/zinc/08/27/57/1028082757.db2.gz KNWSIFHBEIVPNU-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CCc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)oc1CC ZINC000134257997 1028104612 /nfs/dbraw/zinc/10/46/12/1028104612.db2.gz KCWATIFBPNCTIF-UHFFFAOYSA-N 1 2 337.423 3.579 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccncc1Cl ZINC000134293970 1028107253 /nfs/dbraw/zinc/10/72/53/1028107253.db2.gz NFXWPGJYUJKDHR-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccncc1Cl ZINC000134293970 1028107259 /nfs/dbraw/zinc/10/72/59/1028107259.db2.gz NFXWPGJYUJKDHR-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1scnc1C1CC1 ZINC000342921680 1028144743 /nfs/dbraw/zinc/14/47/43/1028144743.db2.gz RLOQEPIZKFBCQX-UHFFFAOYSA-N 1 2 339.424 3.528 20 0 EHADLO CSc1ccccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421185092 1028159735 /nfs/dbraw/zinc/15/97/35/1028159735.db2.gz CPLRVVUMHTWUDW-UHFFFAOYSA-N 1 2 329.465 3.820 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692723 1028167416 /nfs/dbraw/zinc/16/74/16/1028167416.db2.gz MXAWGTSWVYQGTP-KBPBESRZSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692723 1028167424 /nfs/dbraw/zinc/16/74/24/1028167424.db2.gz MXAWGTSWVYQGTP-KBPBESRZSA-N 1 2 332.394 3.663 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000444729963 1028194857 /nfs/dbraw/zinc/19/48/57/1028194857.db2.gz GLYDCOPGXSQWJQ-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000444729963 1028194864 /nfs/dbraw/zinc/19/48/64/1028194864.db2.gz GLYDCOPGXSQWJQ-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c(C)[nH+]1 ZINC000455472951 1028206591 /nfs/dbraw/zinc/20/65/91/1028206591.db2.gz BTXWIGWDZNTXNK-QAPCUYQASA-N 1 2 341.455 3.683 20 0 EHADLO CCOCCOCC[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444717132 1028207887 /nfs/dbraw/zinc/20/78/87/1028207887.db2.gz RCDRXOKJHKITSX-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO CCOCCOCC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444717132 1028207902 /nfs/dbraw/zinc/20/79/02/1028207902.db2.gz RCDRXOKJHKITSX-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CCO1 ZINC000564409660 1028216652 /nfs/dbraw/zinc/21/66/52/1028216652.db2.gz RLZGGKAASDVNHK-FQEVSTJZSA-N 1 2 339.483 3.608 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CCO1 ZINC000564409660 1028216662 /nfs/dbraw/zinc/21/66/62/1028216662.db2.gz RLZGGKAASDVNHK-FQEVSTJZSA-N 1 2 339.483 3.608 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444760744 1028224321 /nfs/dbraw/zinc/22/43/21/1028224321.db2.gz KUTALOCXJLOOLR-VIFPVBQESA-N 1 2 343.294 3.671 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)Oc2ccc(F)cc2)c(C)[nH+]1 ZINC000455498575 1028238541 /nfs/dbraw/zinc/23/85/41/1028238541.db2.gz ROAWWJPOJFWPIM-CYBMUJFWSA-N 1 2 331.391 3.735 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136222667 1028241489 /nfs/dbraw/zinc/24/14/89/1028241489.db2.gz NBPBUQMKWLHKAB-SJORKVTESA-N 1 2 334.508 3.599 20 0 EHADLO CC(C)Cn1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000153584330 1028245103 /nfs/dbraw/zinc/24/51/03/1028245103.db2.gz SXOOQFODDUMODI-MRXNPFEDSA-N 1 2 338.455 3.560 20 0 EHADLO CCSc1cccc(F)c1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000353924796 1028247177 /nfs/dbraw/zinc/24/71/77/1028247177.db2.gz XDWNNTPARFELEG-UHFFFAOYSA-N 1 2 344.415 3.907 20 0 EHADLO CO[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000455483428 1028252014 /nfs/dbraw/zinc/25/20/14/1028252014.db2.gz IVDVAIHWAZRLHQ-MRXNPFEDSA-N 1 2 331.391 3.655 20 0 EHADLO FC(F)(F)c1cccc([C@@H]([NH2+]CCc2ccccc2)c2nnc[nH]2)c1 ZINC000136684796 1028264636 /nfs/dbraw/zinc/26/46/36/1028264636.db2.gz ANEQEOMPGDTZMP-MRXNPFEDSA-N 1 2 346.356 3.745 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502496577 1028278700 /nfs/dbraw/zinc/27/87/00/1028278700.db2.gz SKMUYRKDZMUXGO-HNNXBMFYSA-N 1 2 330.447 3.579 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502496577 1028278715 /nfs/dbraw/zinc/27/87/15/1028278715.db2.gz SKMUYRKDZMUXGO-HNNXBMFYSA-N 1 2 330.447 3.579 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423215074 1028281420 /nfs/dbraw/zinc/28/14/20/1028281420.db2.gz QDGMYVKIHPUGJK-AEDCBLDQSA-N 1 2 348.368 3.508 20 0 EHADLO CC1CCC(N(C(=O)NCCc2cn3c([nH+]2)CCCC3)C2CC2)CC1 ZINC000136967319 1028282026 /nfs/dbraw/zinc/28/20/26/1028282026.db2.gz WDWLUXCWGQDRRJ-UHFFFAOYSA-N 1 2 344.503 3.515 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1cn2cccnc2n1 ZINC000444790104 1028286435 /nfs/dbraw/zinc/28/64/35/1028286435.db2.gz HMFXEGWBYDNEFH-HNNXBMFYSA-N 1 2 334.345 3.821 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000423221600 1028286684 /nfs/dbraw/zinc/28/66/84/1028286684.db2.gz XAMKLUTZVRFOGJ-ZDUSSCGKSA-N 1 2 345.468 3.589 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@]2(C)OCCc3sccc32)c(C)[nH+]1 ZINC000455514442 1028294476 /nfs/dbraw/zinc/29/44/76/1028294476.db2.gz JTWLQSJSZTXTSM-GOSISDBHSA-N 1 2 345.468 3.678 20 0 EHADLO Cn1cccc1C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000195542722 1028300786 /nfs/dbraw/zinc/30/07/86/1028300786.db2.gz KUOILXYJUYYPOG-UHFFFAOYSA-N 1 2 347.256 3.635 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000195542722 1028300801 /nfs/dbraw/zinc/30/08/01/1028300801.db2.gz KUOILXYJUYYPOG-UHFFFAOYSA-N 1 2 347.256 3.635 20 0 EHADLO O=C(C[N@@H+](CCCF)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000137373439 1028308556 /nfs/dbraw/zinc/30/85/56/1028308556.db2.gz YKWYVDRVFMNVOL-UHFFFAOYSA-N 1 2 335.810 3.535 20 0 EHADLO O=C(C[N@H+](CCCF)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000137373439 1028308571 /nfs/dbraw/zinc/30/85/71/1028308571.db2.gz YKWYVDRVFMNVOL-UHFFFAOYSA-N 1 2 335.810 3.535 20 0 EHADLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359370 1028310137 /nfs/dbraw/zinc/31/01/37/1028310137.db2.gz FQWMSOJYQNLIIZ-RKDXNWHRSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359370 1028310151 /nfs/dbraw/zinc/31/01/51/1028310151.db2.gz FQWMSOJYQNLIIZ-RKDXNWHRSA-N 1 2 338.698 3.614 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)c(C)[nH+]1 ZINC000455536425 1028312980 /nfs/dbraw/zinc/31/29/80/1028312980.db2.gz VZMJHZRPTJTWPM-SJKOYZFVSA-N 1 2 329.375 3.790 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455536837 1028314864 /nfs/dbraw/zinc/31/48/64/1028314864.db2.gz BVRUOQMQAMLCDF-OAHLLOKOSA-N 1 2 327.428 3.610 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000354074052 1028316006 /nfs/dbraw/zinc/31/60/06/1028316006.db2.gz YRPBIAKFHCLRHU-OAHLLOKOSA-N 1 2 349.434 3.895 20 0 EHADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000455540328 1028318784 /nfs/dbraw/zinc/31/87/84/1028318784.db2.gz FRVRWMGSOFMDEL-AWEZNQCLSA-N 1 2 346.500 3.928 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000057423190 1028362815 /nfs/dbraw/zinc/36/28/15/1028362815.db2.gz BRKWLBAKOGYKFN-GOSISDBHSA-N 1 2 326.444 3.504 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)nc2ccccc12 ZINC000729679466 1028396795 /nfs/dbraw/zinc/39/67/95/1028396795.db2.gz HHRVRNWXOFRCCZ-UHFFFAOYSA-N 1 2 333.435 3.942 20 0 EHADLO Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582967638 1028407249 /nfs/dbraw/zinc/40/72/49/1028407249.db2.gz GNGPKKKMCBUAIQ-LLVKDONJSA-N 1 2 335.810 3.915 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000070827244 1028462917 /nfs/dbraw/zinc/46/29/17/1028462917.db2.gz XMLIWCQXPZDNRD-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698151 1028468023 /nfs/dbraw/zinc/46/80/23/1028468023.db2.gz YLNKVHFZIWGOIA-FZMZJTMJSA-N 1 2 348.447 3.550 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698151 1028468032 /nfs/dbraw/zinc/46/80/32/1028468032.db2.gz YLNKVHFZIWGOIA-FZMZJTMJSA-N 1 2 348.447 3.550 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c[nH+]1 ZINC000455568992 1028515526 /nfs/dbraw/zinc/51/55/26/1028515526.db2.gz JXTDBGQZEUNCDZ-CYBMUJFWSA-N 1 2 345.393 3.806 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2ccco2)c(Br)cc1O ZINC000237227081 1028520030 /nfs/dbraw/zinc/52/00/30/1028520030.db2.gz UZXAYQNWFFQUKU-SECBINFHSA-N 1 2 326.190 3.607 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1F ZINC000153666969 1028546422 /nfs/dbraw/zinc/54/64/22/1028546422.db2.gz UVHSCNOVHLLDLN-SJCJKPOMSA-N 1 2 347.409 3.627 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1OC ZINC000421552902 1028551755 /nfs/dbraw/zinc/55/17/55/1028551755.db2.gz CZLVFABCPWGVCG-UHFFFAOYSA-N 1 2 342.439 3.816 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)o1 ZINC000073606082 1028564124 /nfs/dbraw/zinc/56/41/24/1028564124.db2.gz JXESCTOJKBFCTH-AWEZNQCLSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)o1 ZINC000073606082 1028564140 /nfs/dbraw/zinc/56/41/40/1028564140.db2.gz JXESCTOJKBFCTH-AWEZNQCLSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc[nH+]1 ZINC000073610007 1028564821 /nfs/dbraw/zinc/56/48/21/1028564821.db2.gz BDHITCARJRQGAV-UHFFFAOYSA-N 1 2 342.786 3.665 20 0 EHADLO CCc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cnn1-c1ccccc1C ZINC000421574400 1028568200 /nfs/dbraw/zinc/56/82/00/1028568200.db2.gz FXIYFXIQFLWPQA-UHFFFAOYSA-N 1 2 348.450 3.685 20 0 EHADLO Cc1cc(CNC(=O)C2(c3c(F)cccc3F)CCC2)cc(C)[nH+]1 ZINC000421577311 1028571436 /nfs/dbraw/zinc/57/14/36/1028571436.db2.gz FDQAWSVRIIDFNH-UHFFFAOYSA-N 1 2 330.378 3.715 20 0 EHADLO Cc1cc(CNC(=O)CCOc2ccccc2C(C)C)cc(C)[nH+]1 ZINC000421578414 1028573177 /nfs/dbraw/zinc/57/31/77/1028573177.db2.gz RABFULMIWNAMFW-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1ccc(CC(=O)NCc2cc(C)[nH+]c(C)c2)c(Br)c1 ZINC000421581686 1028577244 /nfs/dbraw/zinc/57/72/44/1028577244.db2.gz RIWOSPYSWCTJST-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000423716026 1028582586 /nfs/dbraw/zinc/58/25/86/1028582586.db2.gz VQOSAOYZQUXQBV-GXFFZTMASA-N 1 2 331.243 3.935 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cncn1-c1ccc(F)cc1 ZINC000195175397 1028587707 /nfs/dbraw/zinc/58/77/07/1028587707.db2.gz VLUZXZUHHWUQMU-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO Oc1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000445196918 1028610991 /nfs/dbraw/zinc/61/09/91/1028610991.db2.gz NPKANRDHLSNQHE-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000445196918 1028610994 /nfs/dbraw/zinc/61/09/94/1028610994.db2.gz NPKANRDHLSNQHE-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728538933 1028619834 /nfs/dbraw/zinc/61/98/34/1028619834.db2.gz SCUNTPBFRQTLFD-CQSZACIVSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1cc(N2CCC[C@H]2C[C@@H](O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000246583739 1028662096 /nfs/dbraw/zinc/66/20/96/1028662096.db2.gz UJQZJWOJVSLUNC-LSDHHAIUSA-N 1 2 329.469 3.816 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000728541240 1028676422 /nfs/dbraw/zinc/67/64/22/1028676422.db2.gz FQMCAMUXNGCMER-IBGZPJMESA-N 1 2 339.483 3.977 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583062266 1028703843 /nfs/dbraw/zinc/70/38/43/1028703843.db2.gz POZUMGIQJCRHKV-MAUKXSAKSA-N 1 2 331.460 3.603 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2C1 ZINC000246915425 1028712672 /nfs/dbraw/zinc/71/26/72/1028712672.db2.gz BOTQGCFKSNJTRC-YCPHGPKFSA-N 1 2 343.496 3.793 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cs1 ZINC000245480894 1028724488 /nfs/dbraw/zinc/72/44/88/1028724488.db2.gz XSOFWPXWUURKMW-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cs1 ZINC000245480894 1028724500 /nfs/dbraw/zinc/72/45/00/1028724500.db2.gz XSOFWPXWUURKMW-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000245492918 1028737941 /nfs/dbraw/zinc/73/79/41/1028737941.db2.gz KLPAOJXAOVOYKB-YOEHRIQHSA-N 1 2 329.444 3.923 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000245492918 1028737961 /nfs/dbraw/zinc/73/79/61/1028737961.db2.gz KLPAOJXAOVOYKB-YOEHRIQHSA-N 1 2 329.444 3.923 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015461552 1028756953 /nfs/dbraw/zinc/75/69/53/1028756953.db2.gz KOQBLWAUKRZHBU-MRXNPFEDSA-N 1 2 334.423 3.620 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)s1 ZINC000247115306 1028782259 /nfs/dbraw/zinc/78/22/59/1028782259.db2.gz YNXQDBCEXJTSDA-ZIAGYGMSSA-N 1 2 349.544 3.796 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)s1 ZINC000247115306 1028782270 /nfs/dbraw/zinc/78/22/70/1028782270.db2.gz YNXQDBCEXJTSDA-ZIAGYGMSSA-N 1 2 349.544 3.796 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000247461259 1028790115 /nfs/dbraw/zinc/79/01/15/1028790115.db2.gz IJTQTQUENXCTKF-ZYHUDNBSSA-N 1 2 330.856 3.634 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000247461259 1028790132 /nfs/dbraw/zinc/79/01/32/1028790132.db2.gz IJTQTQUENXCTKF-ZYHUDNBSSA-N 1 2 330.856 3.634 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2C)cs1 ZINC000247502950 1028796432 /nfs/dbraw/zinc/79/64/32/1028796432.db2.gz OBZNJMZSEXHUSJ-ILXRZTDVSA-N 1 2 345.512 3.930 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000424122539 1028817972 /nfs/dbraw/zinc/81/79/72/1028817972.db2.gz GYMWXIQRMOPBFI-ZJUUUORDSA-N 1 2 349.422 3.602 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000445486848 1028847206 /nfs/dbraw/zinc/84/72/06/1028847206.db2.gz PRLOVCDALWIBRJ-DEOSSOPVSA-N 1 2 336.460 3.728 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2csnn2)[C@H]1Sc1ccccc1 ZINC000414555228 1028856051 /nfs/dbraw/zinc/85/60/51/1028856051.db2.gz WMOKZJYNJACUMJ-UIBBOPPKSA-N 1 2 335.498 3.527 20 0 EHADLO CC(=O)N(Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1)C1CC1 ZINC000424158548 1028859325 /nfs/dbraw/zinc/85/93/25/1028859325.db2.gz TUOKCAZDSNGIHJ-UHFFFAOYSA-N 1 2 326.444 3.587 20 0 EHADLO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000248552301 1028889732 /nfs/dbraw/zinc/88/97/32/1028889732.db2.gz KUXJELHEKDDNIT-IKGGRYGDSA-N 1 2 331.504 3.664 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000504770977 1028906265 /nfs/dbraw/zinc/90/62/65/1028906265.db2.gz ZGHJQARDCJHBSY-ZHALLVOQSA-N 1 2 337.467 3.682 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c(Cl)c1 ZINC000424269118 1028925462 /nfs/dbraw/zinc/92/54/62/1028925462.db2.gz LZXUEPWATXHMEL-JTQLQIEISA-N 1 2 347.768 3.958 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000162538807 1028952493 /nfs/dbraw/zinc/95/24/93/1028952493.db2.gz AHMQBEHEJBUVJX-AWEZNQCLSA-N 1 2 342.468 3.580 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000162538807 1028952501 /nfs/dbraw/zinc/95/25/01/1028952501.db2.gz AHMQBEHEJBUVJX-AWEZNQCLSA-N 1 2 342.468 3.580 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1OC(F)F ZINC000367230320 1028954120 /nfs/dbraw/zinc/95/41/20/1028954120.db2.gz YYHJOWAVCYWIPQ-AWEZNQCLSA-N 1 2 338.354 3.930 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1OC(F)F ZINC000367230320 1028954132 /nfs/dbraw/zinc/95/41/32/1028954132.db2.gz YYHJOWAVCYWIPQ-AWEZNQCLSA-N 1 2 338.354 3.930 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000248895710 1028963134 /nfs/dbraw/zinc/96/31/34/1028963134.db2.gz TYIJRPNQMCYIGM-WMLDXEAASA-N 1 2 331.485 3.561 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000248895710 1028963147 /nfs/dbraw/zinc/96/31/47/1028963147.db2.gz TYIJRPNQMCYIGM-WMLDXEAASA-N 1 2 331.485 3.561 20 0 EHADLO CC(C)C[N@H+](Cc1nc(C2CC2)nn1C)[C@@H]1CCCc2cccnc21 ZINC000583142068 1028978892 /nfs/dbraw/zinc/97/88/92/1028978892.db2.gz AANKHBSDNDRAOG-QGZVFWFLSA-N 1 2 339.487 3.623 20 0 EHADLO CC(C)C[N@@H+](Cc1nc(C2CC2)nn1C)[C@@H]1CCCc2cccnc21 ZINC000583142068 1028978909 /nfs/dbraw/zinc/97/89/09/1028978909.db2.gz AANKHBSDNDRAOG-QGZVFWFLSA-N 1 2 339.487 3.623 20 0 EHADLO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000524201140 1028981183 /nfs/dbraw/zinc/98/11/83/1028981183.db2.gz DMQLMVVGZPCRDG-QGZVFWFLSA-N 1 2 328.460 3.674 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000245667533 1028989224 /nfs/dbraw/zinc/98/92/24/1028989224.db2.gz ONCCVAXAXKUYGE-HIFRSBDPSA-N 1 2 337.533 3.969 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000245667533 1028989242 /nfs/dbraw/zinc/98/92/42/1028989242.db2.gz ONCCVAXAXKUYGE-HIFRSBDPSA-N 1 2 337.533 3.969 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248664 1028996440 /nfs/dbraw/zinc/99/64/40/1028996440.db2.gz XDNYHFPGVOLRNK-GUTXKFCHSA-N 1 2 331.485 3.736 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248664 1028996456 /nfs/dbraw/zinc/99/64/56/1028996456.db2.gz XDNYHFPGVOLRNK-GUTXKFCHSA-N 1 2 331.485 3.736 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249981240 1029034760 /nfs/dbraw/zinc/03/47/60/1029034760.db2.gz LJAHETWWIAGPLI-FMEYXAORSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249981240 1029034776 /nfs/dbraw/zinc/03/47/76/1029034776.db2.gz LJAHETWWIAGPLI-FMEYXAORSA-N 1 2 334.410 3.573 20 0 EHADLO CN(CC1CC1)C(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000076710951 1029036709 /nfs/dbraw/zinc/03/67/09/1029036709.db2.gz WIKZGZJPRKNEOW-UHFFFAOYSA-N 1 2 334.510 3.680 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc3ccccc32)n1 ZINC000076720369 1029036850 /nfs/dbraw/zinc/03/68/50/1029036850.db2.gz IORWRXXMDCHBSJ-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc3ccccc32)n1 ZINC000076720369 1029036862 /nfs/dbraw/zinc/03/68/62/1029036862.db2.gz IORWRXXMDCHBSJ-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000076716395 1029037752 /nfs/dbraw/zinc/03/77/52/1029037752.db2.gz NLMUOIYOKMWQNT-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000076716395 1029037764 /nfs/dbraw/zinc/03/77/64/1029037764.db2.gz NLMUOIYOKMWQNT-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC001126755550 1029050853 /nfs/dbraw/zinc/05/08/53/1029050853.db2.gz CCQOAEVTIKTGFM-ABAIWWIYSA-N 1 2 349.425 3.954 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000532944101 1029085218 /nfs/dbraw/zinc/08/52/18/1029085218.db2.gz SRIPVKCXUGSPSY-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000532944101 1029085231 /nfs/dbraw/zinc/08/52/31/1029085231.db2.gz SRIPVKCXUGSPSY-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccccc3)n2)c(OC)c1 ZINC000154284333 1029086608 /nfs/dbraw/zinc/08/66/08/1029086608.db2.gz KGHQIRDODWAYDD-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000532967793 1029114158 /nfs/dbraw/zinc/11/41/58/1029114158.db2.gz IEJDVBSBAFPQKC-AUUYWEPGSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000532967793 1029114166 /nfs/dbraw/zinc/11/41/66/1029114166.db2.gz IEJDVBSBAFPQKC-AUUYWEPGSA-N 1 2 343.398 3.538 20 0 EHADLO CCOC(=O)c1sc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000454641451 1029135760 /nfs/dbraw/zinc/13/57/60/1029135760.db2.gz KQDRAEWOAMUHPY-UHFFFAOYSA-N 1 2 347.440 3.567 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2)s1 ZINC000271733984 1029146503 /nfs/dbraw/zinc/14/65/03/1029146503.db2.gz UQAZYGHZZQPMJP-SECBINFHSA-N 1 2 342.262 3.550 20 0 EHADLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000524401782 1029148874 /nfs/dbraw/zinc/14/88/74/1029148874.db2.gz FNBNUEZWEYJMPS-LBPRGKRZSA-N 1 2 340.880 3.829 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000424602036 1029158685 /nfs/dbraw/zinc/15/86/85/1029158685.db2.gz DTGIOOFDHRJNNE-CVEARBPZSA-N 1 2 327.428 3.727 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077789768 1029161038 /nfs/dbraw/zinc/16/10/38/1029161038.db2.gz IXTSMQYMKCBZOQ-MOPGFXCFSA-N 1 2 340.471 3.699 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000524410590 1029163674 /nfs/dbraw/zinc/16/36/74/1029163674.db2.gz GDZBWIUVNWVPNP-QZTJIDSGSA-N 1 2 344.499 3.556 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424688775 1029236857 /nfs/dbraw/zinc/23/68/57/1029236857.db2.gz CZDZNYRKCUQAET-ROUUACIJSA-N 1 2 347.478 3.675 20 0 EHADLO COCc1nc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000271956404 1029245323 /nfs/dbraw/zinc/24/53/23/1029245323.db2.gz FBBFUHGRKWYEPB-AWEZNQCLSA-N 1 2 338.860 3.946 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000092143926 1029247297 /nfs/dbraw/zinc/24/72/97/1029247297.db2.gz OULYSLSYTAVWOK-QAPCUYQASA-N 1 2 349.438 3.855 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC2CCC2)c(C)c1 ZINC000533084454 1029260141 /nfs/dbraw/zinc/26/01/41/1029260141.db2.gz VPCAWYWXSMWHFC-IBGZPJMESA-N 1 2 340.471 3.683 20 0 EHADLO CC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1c(C)noc1C ZINC000161795599 1029291380 /nfs/dbraw/zinc/29/13/80/1029291380.db2.gz HAJFAFDTJMVAGD-MRXNPFEDSA-N 1 2 338.411 3.667 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000524547522 1029292176 /nfs/dbraw/zinc/29/21/76/1029292176.db2.gz UNEJIMIEPKVBIJ-UHFFFAOYSA-N 1 2 335.451 3.705 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000533097787 1029299303 /nfs/dbraw/zinc/29/93/03/1029299303.db2.gz LEXDBLJCQHBRNY-UHFFFAOYSA-N 1 2 343.471 3.680 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(F)cc1C ZINC000124701318 1029306565 /nfs/dbraw/zinc/30/65/65/1029306565.db2.gz AKSXEQOEVQTPNH-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](CO)c1ccccc1 ZINC000343124144 1029327152 /nfs/dbraw/zinc/32/71/52/1029327152.db2.gz YNQCMVWUKOQEQT-GOSISDBHSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](CO)c1ccccc1 ZINC000343124144 1029327166 /nfs/dbraw/zinc/32/71/66/1029327166.db2.gz YNQCMVWUKOQEQT-GOSISDBHSA-N 1 2 326.371 3.646 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(N(C)C(C)C)c2)c[nH+]1 ZINC000454796361 1029330845 /nfs/dbraw/zinc/33/08/45/1029330845.db2.gz BXEZFNUFGPKUKQ-UHFFFAOYSA-N 1 2 326.444 3.865 20 0 EHADLO Cc1nc2cc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)ccc2o1 ZINC000431526303 1029331013 /nfs/dbraw/zinc/33/10/13/1029331013.db2.gz YXABCWMTJGUOOO-UHFFFAOYSA-N 1 2 346.390 3.562 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C12CCC2 ZINC000245826321 1029343513 /nfs/dbraw/zinc/34/35/13/1029343513.db2.gz AZDCIOUEXLKEEW-DJIMGWMZSA-N 1 2 341.455 3.659 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000254952335 1029345101 /nfs/dbraw/zinc/34/51/01/1029345101.db2.gz ZABOYEBJDUCGAX-HIFRSBDPSA-N 1 2 332.469 3.870 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000254952335 1029345113 /nfs/dbraw/zinc/34/51/13/1029345113.db2.gz ZABOYEBJDUCGAX-HIFRSBDPSA-N 1 2 332.469 3.870 20 0 EHADLO Cc1ccc(SC[C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454814458 1029352091 /nfs/dbraw/zinc/35/20/91/1029352091.db2.gz PASAUJFYIKBIRQ-MRXNPFEDSA-N 1 2 343.496 3.987 20 0 EHADLO Cc1ccc(SC[C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454814455 1029352962 /nfs/dbraw/zinc/35/29/62/1029352962.db2.gz PASAUJFYIKBIRQ-INIZCTEOSA-N 1 2 343.496 3.987 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000446061335 1029370909 /nfs/dbraw/zinc/37/09/09/1029370909.db2.gz PZAGJBRYSAAWIG-NCOADZHNSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000446061335 1029370925 /nfs/dbraw/zinc/37/09/25/1029370925.db2.gz PZAGJBRYSAAWIG-NCOADZHNSA-N 1 2 340.467 3.515 20 0 EHADLO CCCOc1c(C[N@H+](C)Cc2cnn(C)c2C)cccc1OCC ZINC000583243635 1029374703 /nfs/dbraw/zinc/37/47/03/1029374703.db2.gz RPEAEXMTFZGWLD-UHFFFAOYSA-N 1 2 331.460 3.548 20 0 EHADLO CCCOc1c(C[N@@H+](C)Cc2cnn(C)c2C)cccc1OCC ZINC000583243635 1029374712 /nfs/dbraw/zinc/37/47/12/1029374712.db2.gz RPEAEXMTFZGWLD-UHFFFAOYSA-N 1 2 331.460 3.548 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054010743 1029411388 /nfs/dbraw/zinc/41/13/88/1029411388.db2.gz NMOWSONJYNDYPJ-CYBMUJFWSA-N 1 2 339.370 3.511 20 0 EHADLO Cc1cc(CNC(=O)c2cn(-c3ccccc3)nc2C(C)C)cc(C)[nH+]1 ZINC000424893073 1029422537 /nfs/dbraw/zinc/42/25/37/1029422537.db2.gz OFZXAWFTWOFILI-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1cccnc1 ZINC000161613459 1029427167 /nfs/dbraw/zinc/42/71/67/1029427167.db2.gz TUGRIEDCTSLLDV-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC3(CCCC3)C2)nc1-c1cccnc1 ZINC000161613459 1029427176 /nfs/dbraw/zinc/42/71/76/1029427176.db2.gz TUGRIEDCTSLLDV-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCCC(=O)Nc1ccc(-c2nc([C@H]3COCC[NH2+]3)sc2C)cc1 ZINC000446139104 1029444582 /nfs/dbraw/zinc/44/45/82/1029444582.db2.gz PUTJJLAZKVQCBZ-OAHLLOKOSA-N 1 2 345.468 3.518 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000505308042 1029458892 /nfs/dbraw/zinc/45/88/92/1029458892.db2.gz MCAIERFIOLXQQM-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC2(C1)CCCCCC2 ZINC000524728933 1029472905 /nfs/dbraw/zinc/47/29/05/1029472905.db2.gz QCRJBPWZTAIHAK-UHFFFAOYSA-N 1 2 332.492 3.809 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000454946777 1029486298 /nfs/dbraw/zinc/48/62/98/1029486298.db2.gz UDZNFAATTLYPGC-WMLDXEAASA-N 1 2 331.485 3.801 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1CC1CCCCC1 ZINC000272505515 1029488712 /nfs/dbraw/zinc/48/87/12/1029488712.db2.gz XUJQMZQLGIIFAK-SFHVURJKSA-N 1 2 338.455 3.842 20 0 EHADLO Nc1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)s1 ZINC000261723976 1029489917 /nfs/dbraw/zinc/48/99/17/1029489917.db2.gz GHWRBNPAKZCISB-CQSZACIVSA-N 1 2 341.440 3.503 20 0 EHADLO Nc1ncc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)s1 ZINC000261723976 1029489925 /nfs/dbraw/zinc/48/99/25/1029489925.db2.gz GHWRBNPAKZCISB-CQSZACIVSA-N 1 2 341.440 3.503 20 0 EHADLO O=C(c1cccc(Cl)c1O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001272106232 1029513572 /nfs/dbraw/zinc/51/35/72/1029513572.db2.gz QUIUMVJFFSRYNH-UHFFFAOYSA-N 1 2 348.874 3.526 20 0 EHADLO Cc1ccsc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272598877 1029527040 /nfs/dbraw/zinc/52/70/40/1029527040.db2.gz GYFAZKXEPWJJSL-OAHLLOKOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccsc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272598877 1029527049 /nfs/dbraw/zinc/52/70/49/1029527049.db2.gz GYFAZKXEPWJJSL-OAHLLOKOSA-N 1 2 341.436 3.680 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCc4c3cccc4F)c[nH+]2)C[C@H](C)O1 ZINC000513869067 1029560061 /nfs/dbraw/zinc/56/00/61/1029560061.db2.gz GEAJATRQZTVYCW-KSMMKXTCSA-N 1 2 341.430 3.934 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)s1 ZINC000125605837 1029560385 /nfs/dbraw/zinc/56/03/85/1029560385.db2.gz VNSFUYZBMMVAHH-RWMBFGLXSA-N 1 2 337.876 3.811 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000666817190 1029612498 /nfs/dbraw/zinc/61/24/98/1029612498.db2.gz IHAJHCJXQLKMHT-JCURWCKSSA-N 1 2 343.858 3.929 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC(C)(C)C1CC1 ZINC000455072340 1029623287 /nfs/dbraw/zinc/62/32/87/1029623287.db2.gz WRQNLYDJEKRPHJ-UHFFFAOYSA-N 1 2 334.508 3.693 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)C)CC2)c(Cl)c1 ZINC000533338677 1029636140 /nfs/dbraw/zinc/63/61/40/1029636140.db2.gz NPZZFWOHKKXZJR-AWEZNQCLSA-N 1 2 338.879 3.865 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000155792292 1029651791 /nfs/dbraw/zinc/65/17/91/1029651791.db2.gz DWSFJQBMORMPGY-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1CO ZINC001211575480 1029678544 /nfs/dbraw/zinc/67/85/44/1029678544.db2.gz RQMQUCPIJFHXNZ-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000155886125 1029681321 /nfs/dbraw/zinc/68/13/21/1029681321.db2.gz BKJAEVPUIASLHV-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126235103 1029686722 /nfs/dbraw/zinc/68/67/22/1029686722.db2.gz IWUSVUAUNFFLRB-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126235103 1029686727 /nfs/dbraw/zinc/68/67/27/1029686727.db2.gz IWUSVUAUNFFLRB-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000162514259 1029736561 /nfs/dbraw/zinc/73/65/61/1029736561.db2.gz PXFOABFRAGGZOX-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccc(F)cc3)n2C)c1 ZINC000536011237 1029770396 /nfs/dbraw/zinc/77/03/96/1029770396.db2.gz KERFHZXHZCJLIT-UHFFFAOYSA-N 1 2 344.415 3.626 20 0 EHADLO Cc1c(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cccc1C(F)(F)F ZINC001211579375 1029775599 /nfs/dbraw/zinc/77/55/99/1029775599.db2.gz BZLPHSPPFXNDJF-NSHDSACASA-N 1 2 347.287 3.776 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)o1 ZINC000525274473 1029784982 /nfs/dbraw/zinc/78/49/82/1029784982.db2.gz OYWNEQNLGCGQQN-KXBFYZLASA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)o1 ZINC000525274473 1029784986 /nfs/dbraw/zinc/78/49/86/1029784986.db2.gz OYWNEQNLGCGQQN-KXBFYZLASA-N 1 2 343.423 3.645 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000525640872 1029786524 /nfs/dbraw/zinc/78/65/24/1029786524.db2.gz GVTHHUZAWQNBJU-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000525640872 1029786530 /nfs/dbraw/zinc/78/65/30/1029786530.db2.gz GVTHHUZAWQNBJU-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO CC1=CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000533761356 1029790827 /nfs/dbraw/zinc/79/08/27/1029790827.db2.gz MDIQSQRZNSSSCI-LJQANCHMSA-N 1 2 344.455 3.745 20 0 EHADLO CC1=CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000533761356 1029790832 /nfs/dbraw/zinc/79/08/32/1029790832.db2.gz MDIQSQRZNSSSCI-LJQANCHMSA-N 1 2 344.455 3.745 20 0 EHADLO Cc1ccc(C(F)(F)F)c(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580125 1029800553 /nfs/dbraw/zinc/80/05/53/1029800553.db2.gz NBHDCRVEBWUKBL-LLVKDONJSA-N 1 2 347.287 3.776 20 0 EHADLO CCCCC1CCC(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000533771355 1029804225 /nfs/dbraw/zinc/80/42/25/1029804225.db2.gz IIXVLHGRJFSEJL-ABHNRTSZSA-N 1 2 346.519 3.916 20 0 EHADLO Cc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211580684 1029821229 /nfs/dbraw/zinc/82/12/29/1029821229.db2.gz SMYRFKDLASVJCZ-OAHLLOKOSA-N 1 2 329.350 3.910 20 0 EHADLO c1csc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000278254575 1029831569 /nfs/dbraw/zinc/83/15/69/1029831569.db2.gz MWXXHTZVGWLRHB-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO c1csc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000278254575 1029831575 /nfs/dbraw/zinc/83/15/75/1029831575.db2.gz MWXXHTZVGWLRHB-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@](C)(c4ccccc4)C3)ccc2[nH+]1 ZINC000446916407 1029853056 /nfs/dbraw/zinc/85/30/56/1029853056.db2.gz MCXUYDQAICPMTE-FQEVSTJZSA-N 1 2 334.423 3.838 20 0 EHADLO Cc1cc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)ccc1O ZINC000583471052 1029867704 /nfs/dbraw/zinc/86/77/04/1029867704.db2.gz PGNNWCGQRRVVST-UHFFFAOYSA-N 1 2 346.390 3.586 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000453201807 1029902811 /nfs/dbraw/zinc/90/28/11/1029902811.db2.gz AVGIWPRMKLJRGH-HNAYVOBHSA-N 1 2 349.482 3.989 20 0 EHADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000120234194 1029950032 /nfs/dbraw/zinc/95/00/32/1029950032.db2.gz VGMYRBYKUSMIHS-UHFFFAOYSA-N 1 2 343.452 3.513 20 0 EHADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000120234194 1029950046 /nfs/dbraw/zinc/95/00/46/1029950046.db2.gz VGMYRBYKUSMIHS-UHFFFAOYSA-N 1 2 343.452 3.513 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000455776837 1029951271 /nfs/dbraw/zinc/95/12/71/1029951271.db2.gz OZNXXHKPJZCZFU-UHFFFAOYSA-N 1 2 348.834 3.804 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)CCC[C@@H]3C)cn2c1 ZINC000525618227 1029972609 /nfs/dbraw/zinc/97/26/09/1029972609.db2.gz PKNGPGQZRFIAPK-ZBFHGGJFSA-N 1 2 345.512 3.913 20 0 EHADLO Cc1cc(NCCc2csc(-c3ccccc3)n2)nc(C2CC2)[nH+]1 ZINC000481822712 1030014254 /nfs/dbraw/zinc/01/42/54/1030014254.db2.gz HZIONSXCZHKWHZ-UHFFFAOYSA-N 1 2 336.464 3.862 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453293519 1030038219 /nfs/dbraw/zinc/03/82/19/1030038219.db2.gz DMOCIFNGEASYAB-BJOHPYRUSA-N 1 2 325.309 3.658 20 0 EHADLO CC(C)(C)CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343272781 1030039570 /nfs/dbraw/zinc/03/95/70/1030039570.db2.gz AMDQVQFRUYMEET-UHFFFAOYSA-N 1 2 339.443 3.698 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120760681 1030086111 /nfs/dbraw/zinc/08/61/11/1030086111.db2.gz AGUJNJBZCUQOOT-PMACEKPBSA-N 1 2 338.451 3.576 20 0 EHADLO CCOC(=O)C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000058874568 1030110097 /nfs/dbraw/zinc/11/00/97/1030110097.db2.gz VMLKLRPHLXJBDR-UHFFFAOYSA-N 1 2 346.254 3.647 20 0 EHADLO COCC[N@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1 ZINC000525833706 1030159797 /nfs/dbraw/zinc/15/97/97/1030159797.db2.gz QQADWBNMRHSGQP-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO COCC[N@@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1 ZINC000525833706 1030159807 /nfs/dbraw/zinc/15/98/07/1030159807.db2.gz QQADWBNMRHSGQP-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000482071014 1030196656 /nfs/dbraw/zinc/19/66/56/1030196656.db2.gz YGTUHCBCVQCHCE-OAHLLOKOSA-N 1 2 329.271 3.527 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000482071014 1030196662 /nfs/dbraw/zinc/19/66/62/1030196662.db2.gz YGTUHCBCVQCHCE-OAHLLOKOSA-N 1 2 329.271 3.527 20 0 EHADLO CSc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000525885040 1030201576 /nfs/dbraw/zinc/20/15/76/1030201576.db2.gz MNCRMTAYTUXCNX-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO c1ccc(OCCCCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000525874385 1030212344 /nfs/dbraw/zinc/21/23/44/1030212344.db2.gz FTJHLXRWWBRHHV-UHFFFAOYSA-N 1 2 340.467 3.790 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000525921722 1030228721 /nfs/dbraw/zinc/22/87/21/1030228721.db2.gz JQJFMKNXXZOHTK-HNNXBMFYSA-N 1 2 349.434 3.736 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)cs1 ZINC000453416459 1030232137 /nfs/dbraw/zinc/23/21/37/1030232137.db2.gz UOKHZXRHPTVBOG-LSDHHAIUSA-N 1 2 345.512 3.665 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1O ZINC000657773937 1030255487 /nfs/dbraw/zinc/25/54/87/1030255487.db2.gz WLNLMXCEXCXUTF-ZDUSSCGKSA-N 1 2 342.222 3.531 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657773938 1030256078 /nfs/dbraw/zinc/25/60/78/1030256078.db2.gz WRPWCFMTFXEDBW-AWEZNQCLSA-N 1 2 344.213 3.964 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000447534083 1030268976 /nfs/dbraw/zinc/26/89/76/1030268976.db2.gz ZUQNPKBDKOEOSZ-CYBMUJFWSA-N 1 2 344.411 3.633 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091701827 1030288789 /nfs/dbraw/zinc/28/87/89/1030288789.db2.gz PSIDOZKCAFQNKU-KBPBESRZSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091701827 1030288804 /nfs/dbraw/zinc/28/88/04/1030288804.db2.gz PSIDOZKCAFQNKU-KBPBESRZSA-N 1 2 347.409 3.572 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635102343 1030298371 /nfs/dbraw/zinc/29/83/71/1030298371.db2.gz SRXKSKRPHXZUKR-HNNXBMFYSA-N 1 2 339.361 3.598 20 0 EHADLO CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1OC ZINC000526000506 1030339417 /nfs/dbraw/zinc/33/94/17/1030339417.db2.gz KSJWFCYDJWFCRV-AWEZNQCLSA-N 1 2 341.455 3.700 20 0 EHADLO CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1OC ZINC000526000506 1030339431 /nfs/dbraw/zinc/33/94/31/1030339431.db2.gz KSJWFCYDJWFCRV-AWEZNQCLSA-N 1 2 341.455 3.700 20 0 EHADLO COc1cccnc1C[NH2+]Cc1sc(C)cc1Br ZINC000453570225 1030358809 /nfs/dbraw/zinc/35/88/09/1030358809.db2.gz CPLHPIDKBDZABD-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F ZINC000092017913 1030361037 /nfs/dbraw/zinc/36/10/37/1030361037.db2.gz JKWMHPDUWJQAIK-QWHCGFSZSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F ZINC000092017913 1030361055 /nfs/dbraw/zinc/36/10/55/1030361055.db2.gz JKWMHPDUWJQAIK-QWHCGFSZSA-N 1 2 347.377 3.636 20 0 EHADLO C[C@@H]1C[N@H+](CCN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726956 1030383273 /nfs/dbraw/zinc/38/32/73/1030383273.db2.gz WGEYCGWJMJAAAU-CXAGYDPISA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H]1C[N@@H+](CCN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726956 1030383293 /nfs/dbraw/zinc/38/32/93/1030383293.db2.gz WGEYCGWJMJAAAU-CXAGYDPISA-N 1 2 343.298 3.851 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000668037766 1030401029 /nfs/dbraw/zinc/40/10/29/1030401029.db2.gz DCOVOTGZUZSYOI-NVXWUHKLSA-N 1 2 326.444 3.554 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000092224571 1030410815 /nfs/dbraw/zinc/41/08/15/1030410815.db2.gz HXYCHYPWYWSIAH-INIZCTEOSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000092224571 1030410817 /nfs/dbraw/zinc/41/08/17/1030410817.db2.gz HXYCHYPWYWSIAH-INIZCTEOSA-N 1 2 338.411 3.723 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482450851 1030434020 /nfs/dbraw/zinc/43/40/20/1030434020.db2.gz IZUZBCPBZIOMQN-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482450851 1030434030 /nfs/dbraw/zinc/43/40/30/1030434030.db2.gz IZUZBCPBZIOMQN-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)s1 ZINC000092436115 1030453642 /nfs/dbraw/zinc/45/36/42/1030453642.db2.gz CWUNOBBVSBYROF-MRXNPFEDSA-N 1 2 349.500 3.764 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)s1 ZINC000092436115 1030453649 /nfs/dbraw/zinc/45/36/49/1030453649.db2.gz CWUNOBBVSBYROF-MRXNPFEDSA-N 1 2 349.500 3.764 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cnc(-c2ccc(C)o2)s1 ZINC000092562681 1030477938 /nfs/dbraw/zinc/47/79/38/1030477938.db2.gz NROJAKRRCIHMDE-UHFFFAOYSA-N 1 2 332.425 3.953 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cnc(-c2ccc(C)o2)s1 ZINC000092562681 1030477946 /nfs/dbraw/zinc/47/79/46/1030477946.db2.gz NROJAKRRCIHMDE-UHFFFAOYSA-N 1 2 332.425 3.953 20 0 EHADLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000171032989 1030481369 /nfs/dbraw/zinc/48/13/69/1030481369.db2.gz YKEYFBDXLUNGCS-CYBMUJFWSA-N 1 2 343.818 3.539 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](Cc2ccco2)Cc2ccccc2)C1=O ZINC000447851699 1030541743 /nfs/dbraw/zinc/54/17/43/1030541743.db2.gz URJDJELHSKYHOH-IBGZPJMESA-N 1 2 326.440 3.681 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](Cc2ccco2)Cc2ccccc2)C1=O ZINC000447851699 1030541751 /nfs/dbraw/zinc/54/17/51/1030541751.db2.gz URJDJELHSKYHOH-IBGZPJMESA-N 1 2 326.440 3.681 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000092975595 1030542854 /nfs/dbraw/zinc/54/28/54/1030542854.db2.gz QWGMVKXSTLDZQW-IBGZPJMESA-N 1 2 337.398 3.789 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000092975595 1030542866 /nfs/dbraw/zinc/54/28/66/1030542866.db2.gz QWGMVKXSTLDZQW-IBGZPJMESA-N 1 2 337.398 3.789 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C(F)F)cc1 ZINC000343369492 1030545214 /nfs/dbraw/zinc/54/52/14/1030545214.db2.gz LJMLOBUYWRUDJF-UHFFFAOYSA-N 1 2 328.322 3.516 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3sccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000532345259 1030572632 /nfs/dbraw/zinc/57/26/32/1030572632.db2.gz DHAJKRHELMPNEJ-VXGBXAGGSA-N 1 2 331.466 3.883 20 0 EHADLO Cc1c(C[N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)cnn1C ZINC000668089679 1030583197 /nfs/dbraw/zinc/58/31/97/1030583197.db2.gz ZGXRRKWMUKNUNM-UHFFFAOYSA-N 1 2 340.402 3.687 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)cnn1C ZINC000668089679 1030583212 /nfs/dbraw/zinc/58/32/12/1030583212.db2.gz ZGXRRKWMUKNUNM-UHFFFAOYSA-N 1 2 340.402 3.687 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C(C)C ZINC000093287233 1030584898 /nfs/dbraw/zinc/58/48/98/1030584898.db2.gz QOFCXFOLWFFWRF-UHFFFAOYSA-N 1 2 328.412 3.566 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C(C)C ZINC000093287233 1030584912 /nfs/dbraw/zinc/58/49/12/1030584912.db2.gz QOFCXFOLWFFWRF-UHFFFAOYSA-N 1 2 328.412 3.566 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1nccs1 ZINC000093370752 1030593919 /nfs/dbraw/zinc/59/39/19/1030593919.db2.gz PPCKXSMLWVGHAQ-CQSZACIVSA-N 1 2 326.469 3.856 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)N1c1ccccc1 ZINC000447943511 1030596802 /nfs/dbraw/zinc/59/68/02/1030596802.db2.gz KBNRDSUXLCGVKT-HIFRSBDPSA-N 1 2 343.496 3.724 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(Cl)c1 ZINC000343380782 1030607370 /nfs/dbraw/zinc/60/73/70/1030607370.db2.gz YHVAZXMPVASWQT-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000093413401 1030609823 /nfs/dbraw/zinc/60/98/23/1030609823.db2.gz LTULBAABHVCGDN-JTDSTZFVSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000093413401 1030609838 /nfs/dbraw/zinc/60/98/38/1030609838.db2.gz LTULBAABHVCGDN-JTDSTZFVSA-N 1 2 325.456 3.677 20 0 EHADLO C=Cn1cc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)cn1 ZINC000194151627 1030657176 /nfs/dbraw/zinc/65/71/76/1030657176.db2.gz ISCXLAKQKBGIOM-UHFFFAOYSA-N 1 2 339.468 3.684 20 0 EHADLO C=Cn1cc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)cn1 ZINC000194151627 1030657211 /nfs/dbraw/zinc/65/72/11/1030657211.db2.gz ISCXLAKQKBGIOM-UHFFFAOYSA-N 1 2 339.468 3.684 20 0 EHADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000093773197 1030671197 /nfs/dbraw/zinc/67/11/97/1030671197.db2.gz ULJQQDKNQKKNPL-LBPRGKRZSA-N 1 2 335.835 3.502 20 0 EHADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000093773197 1030671209 /nfs/dbraw/zinc/67/12/09/1030671209.db2.gz ULJQQDKNQKKNPL-LBPRGKRZSA-N 1 2 335.835 3.502 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)s1 ZINC000093807522 1030678027 /nfs/dbraw/zinc/67/80/27/1030678027.db2.gz JPDLNDQEYMAXIV-UHFFFAOYSA-N 1 2 326.412 3.981 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(OCC(F)F)cc2)s1 ZINC000093807522 1030678038 /nfs/dbraw/zinc/67/80/38/1030678038.db2.gz JPDLNDQEYMAXIV-UHFFFAOYSA-N 1 2 326.412 3.981 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841760 1030684456 /nfs/dbraw/zinc/68/44/56/1030684456.db2.gz QOAKXEPHOFYMOB-HNNXBMFYSA-N 1 2 327.302 3.752 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841760 1030684466 /nfs/dbraw/zinc/68/44/66/1030684466.db2.gz QOAKXEPHOFYMOB-HNNXBMFYSA-N 1 2 327.302 3.752 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC001143451894 1030694037 /nfs/dbraw/zinc/69/40/37/1030694037.db2.gz VNAUGLBEQMZYHF-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)n(-c2ccccc2)n1 ZINC000448056376 1030697686 /nfs/dbraw/zinc/69/76/86/1030697686.db2.gz MPFMXTAYPBUIFF-AWEZNQCLSA-N 1 2 347.466 3.622 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(OCCC)c1 ZINC000657793563 1030725148 /nfs/dbraw/zinc/72/51/48/1030725148.db2.gz ISLOEOZYTRKNKD-HNNXBMFYSA-N 1 2 331.460 3.849 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000448119955 1030742222 /nfs/dbraw/zinc/74/22/22/1030742222.db2.gz TVERRWBLGYDYTI-CVEARBPZSA-N 1 2 347.503 3.605 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000171379272 1030756775 /nfs/dbraw/zinc/75/67/75/1030756775.db2.gz UZXKIKNQQAYZSL-OAHLLOKOSA-N 1 2 341.352 3.792 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000171379272 1030756783 /nfs/dbraw/zinc/75/67/83/1030756783.db2.gz UZXKIKNQQAYZSL-OAHLLOKOSA-N 1 2 341.352 3.792 20 0 EHADLO CCn1c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)nc2c1cccc2F ZINC000130720316 1030843872 /nfs/dbraw/zinc/84/38/72/1030843872.db2.gz LAVKZCNTAQWCCO-HNNXBMFYSA-N 1 2 341.434 3.872 20 0 EHADLO CCn1c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)nc2c1cccc2F ZINC000130720316 1030843893 /nfs/dbraw/zinc/84/38/93/1030843893.db2.gz LAVKZCNTAQWCCO-HNNXBMFYSA-N 1 2 341.434 3.872 20 0 EHADLO c1nnc([C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)c2cccnc2)[nH]1 ZINC000551006409 1030882276 /nfs/dbraw/zinc/88/22/76/1030882276.db2.gz DNUDYXGCBCGCMW-IBGZPJMESA-N 1 2 347.466 3.781 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCOC(C)(C)C ZINC001168147722 1030926996 /nfs/dbraw/zinc/92/69/96/1030926996.db2.gz WZGRWBDCCPXONM-CYBMUJFWSA-N 1 2 335.423 3.607 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCOC(C)(C)C ZINC001168147722 1030927010 /nfs/dbraw/zinc/92/70/10/1030927010.db2.gz WZGRWBDCCPXONM-CYBMUJFWSA-N 1 2 335.423 3.607 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ncccc2C)c(C)c1 ZINC000527501460 1030932002 /nfs/dbraw/zinc/93/20/02/1030932002.db2.gz RBQGDTUJWZJDGO-GOSISDBHSA-N 1 2 349.438 3.766 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000115996075 1030958265 /nfs/dbraw/zinc/95/82/65/1030958265.db2.gz ZDMKHISDUUOJRW-LSDHHAIUSA-N 1 2 339.345 3.893 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000483151491 1031005060 /nfs/dbraw/zinc/00/50/60/1031005060.db2.gz XLMKYXHZJSUWHB-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000483151491 1031005076 /nfs/dbraw/zinc/00/50/76/1031005076.db2.gz XLMKYXHZJSUWHB-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)o1 ZINC000527576253 1031010991 /nfs/dbraw/zinc/01/09/91/1031010991.db2.gz BANBVURIASFPBT-UHFFFAOYSA-N 1 2 348.393 3.569 20 0 EHADLO Cc1cc([C@@H]([NH2+]CC(=O)N(C)C)c2ccccc2Cl)ccc1F ZINC000172923716 1031032816 /nfs/dbraw/zinc/03/28/16/1031032816.db2.gz HBLSDYQITNUKTR-GOSISDBHSA-N 1 2 334.822 3.555 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccccc1Sc1ccccc1 ZINC000172922095 1031033658 /nfs/dbraw/zinc/03/36/58/1031033658.db2.gz QAPJAIIQXUOPOJ-UHFFFAOYSA-N 1 2 337.448 3.854 20 0 EHADLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357843 1031039384 /nfs/dbraw/zinc/03/93/84/1031039384.db2.gz CDPYQGHGCFXEPC-UHFFFAOYSA-N 1 2 349.261 3.951 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527617646 1031041096 /nfs/dbraw/zinc/04/10/96/1031041096.db2.gz CFQICKUIJSGPBY-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527617646 1031041106 /nfs/dbraw/zinc/04/11/06/1031041106.db2.gz CFQICKUIJSGPBY-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO CCOCOc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527620236 1031043573 /nfs/dbraw/zinc/04/35/73/1031043573.db2.gz ZOEDQFHXFFFTIN-UHFFFAOYSA-N 1 2 341.455 3.531 20 0 EHADLO CCOCOc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527620236 1031043592 /nfs/dbraw/zinc/04/35/92/1031043592.db2.gz ZOEDQFHXFFFTIN-UHFFFAOYSA-N 1 2 341.455 3.531 20 0 EHADLO CCCn1nccc1C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000668227340 1031069121 /nfs/dbraw/zinc/06/91/21/1031069121.db2.gz HYFDXVZZQSWAOF-UHFFFAOYSA-N 1 2 339.842 3.734 20 0 EHADLO CCCn1nccc1C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000668227340 1031069139 /nfs/dbraw/zinc/06/91/39/1031069139.db2.gz HYFDXVZZQSWAOF-UHFFFAOYSA-N 1 2 339.842 3.734 20 0 EHADLO C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](n2cncn2)C1 ZINC000551164589 1031084129 /nfs/dbraw/zinc/08/41/29/1031084129.db2.gz NSIJIPGJMUUCAM-NJAFHUGGSA-N 1 2 340.475 3.505 20 0 EHADLO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1CCCc2cccnc21 ZINC000483311291 1031105297 /nfs/dbraw/zinc/10/52/97/1031105297.db2.gz PQIOFADIUXDZLV-QGZVFWFLSA-N 1 2 327.476 3.718 20 0 EHADLO CCC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1CCCc2cccnc21 ZINC000483311291 1031105306 /nfs/dbraw/zinc/10/53/06/1031105306.db2.gz PQIOFADIUXDZLV-QGZVFWFLSA-N 1 2 327.476 3.718 20 0 EHADLO CCC[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccccn1 ZINC000527655136 1031115433 /nfs/dbraw/zinc/11/54/33/1031115433.db2.gz ZMBPSIDMKBBBTE-HNNXBMFYSA-N 1 2 327.457 3.570 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000158156679 1031125421 /nfs/dbraw/zinc/12/54/21/1031125421.db2.gz BZTLRBCSDXNXFB-NEPJUHHUSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000158156679 1031125432 /nfs/dbraw/zinc/12/54/32/1031125432.db2.gz BZTLRBCSDXNXFB-NEPJUHHUSA-N 1 2 338.167 3.509 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(F)cc2c1OCOC2)c1nc(C)cs1 ZINC000173940129 1031134952 /nfs/dbraw/zinc/13/49/52/1031134952.db2.gz VOXDWIMSSQUYOH-KRWDZBQOSA-N 1 2 336.432 3.872 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C)c1ccc2ccccc2c1 ZINC000476990786 1031150591 /nfs/dbraw/zinc/15/05/91/1031150591.db2.gz MVLXEPJRPSTDET-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C)c1ccc2ccccc2c1 ZINC000476990786 1031150596 /nfs/dbraw/zinc/15/05/96/1031150596.db2.gz MVLXEPJRPSTDET-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc(OC)c3OC)CCO2)cc1 ZINC000483426618 1031156991 /nfs/dbraw/zinc/15/69/91/1031156991.db2.gz FRXAUDASWJPVKT-FQEVSTJZSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc(OC)c3OC)CCO2)cc1 ZINC000483426618 1031156995 /nfs/dbraw/zinc/15/69/95/1031156995.db2.gz FRXAUDASWJPVKT-FQEVSTJZSA-N 1 2 341.451 3.840 20 0 EHADLO CCSCC[C@@H](C)[N@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000174027004 1031194189 /nfs/dbraw/zinc/19/41/89/1031194189.db2.gz BRGRTGJRXVFZDM-CYBMUJFWSA-N 1 2 335.473 3.709 20 0 EHADLO CCSCC[C@@H](C)[N@@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000174027004 1031194200 /nfs/dbraw/zinc/19/42/00/1031194200.db2.gz BRGRTGJRXVFZDM-CYBMUJFWSA-N 1 2 335.473 3.709 20 0 EHADLO O=C(C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)NCc1ccccc1 ZINC000477051392 1031203986 /nfs/dbraw/zinc/20/39/86/1031203986.db2.gz USYGZWSEQZGGBO-UHFFFAOYSA-N 1 2 346.430 3.621 20 0 EHADLO O=C(C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)NCc1ccccc1 ZINC000477051392 1031204005 /nfs/dbraw/zinc/20/40/05/1031204005.db2.gz USYGZWSEQZGGBO-UHFFFAOYSA-N 1 2 346.430 3.621 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477043874 1031213502 /nfs/dbraw/zinc/21/35/02/1031213502.db2.gz ATENOFKQKDJVDQ-OAHLLOKOSA-N 1 2 326.440 3.610 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477043874 1031213520 /nfs/dbraw/zinc/21/35/20/1031213520.db2.gz ATENOFKQKDJVDQ-OAHLLOKOSA-N 1 2 326.440 3.610 20 0 EHADLO COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000174494971 1031222802 /nfs/dbraw/zinc/22/28/02/1031222802.db2.gz WIFJJKWSUPBIHG-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)[nH+]1 ZINC000158288928 1031234198 /nfs/dbraw/zinc/23/41/98/1031234198.db2.gz OAACKVVHVIFSOS-LBPRGKRZSA-N 1 2 341.440 3.887 20 0 EHADLO O=C(C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)Nc1ccccc1 ZINC000477077346 1031234205 /nfs/dbraw/zinc/23/42/05/1031234205.db2.gz ZHBPYSVYVKXJQA-UHFFFAOYSA-N 1 2 332.403 3.943 20 0 EHADLO O=C(C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)Nc1ccccc1 ZINC000477077346 1031234215 /nfs/dbraw/zinc/23/42/15/1031234215.db2.gz ZHBPYSVYVKXJQA-UHFFFAOYSA-N 1 2 332.403 3.943 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000158288972 1031234822 /nfs/dbraw/zinc/23/48/22/1031234822.db2.gz KCZMRAFMNGCKLQ-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO COC(=O)c1cc(F)cc(F)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091847 1031263424 /nfs/dbraw/zinc/26/34/24/1031263424.db2.gz ODVZQHLLGZNIIV-UHFFFAOYSA-N 1 2 329.306 3.885 20 0 EHADLO C[C@H](CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000527830317 1031295977 /nfs/dbraw/zinc/29/59/77/1031295977.db2.gz ZJPSZDUPNFKATQ-SJLPKXTDSA-N 1 2 344.503 3.518 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000315190364 1031296961 /nfs/dbraw/zinc/29/69/61/1031296961.db2.gz PJINQIUDYVVHIW-VXGBXAGGSA-N 1 2 334.441 3.740 20 0 EHADLO c1csc([C@H](CNc2nccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000527830590 1031297147 /nfs/dbraw/zinc/29/71/47/1031297147.db2.gz JTTXEUOBJURFCL-KRWDZBQOSA-N 1 2 339.464 3.782 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H](C)C1CCCCC1 ZINC000175396444 1031302091 /nfs/dbraw/zinc/30/20/91/1031302091.db2.gz SMOWXUUPNRIFSK-CVEARBPZSA-N 1 2 332.492 3.835 20 0 EHADLO O=C(NC1CCN(c2[nH+]ccc3ccccc32)CC1)C1CCCCC1 ZINC000527865100 1031346727 /nfs/dbraw/zinc/34/67/27/1031346727.db2.gz MEFXPBBNJPDUMN-UHFFFAOYSA-N 1 2 337.467 3.900 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868815 1031349992 /nfs/dbraw/zinc/34/99/92/1031349992.db2.gz MSBLPPHCZYPJHE-KUHUBIRLSA-N 1 2 339.414 3.610 20 0 EHADLO CC(C)CC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000151364047 1031370563 /nfs/dbraw/zinc/37/05/63/1031370563.db2.gz UTZSQAWNCOYNRF-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO Cn1cccc1C(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000219695648 1031383164 /nfs/dbraw/zinc/38/31/64/1031383164.db2.gz JXVJMAZSJCGXMD-UHFFFAOYSA-N 1 2 336.357 3.891 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000219695648 1031383177 /nfs/dbraw/zinc/38/31/77/1031383177.db2.gz JXVJMAZSJCGXMD-UHFFFAOYSA-N 1 2 336.357 3.891 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1F ZINC000668283253 1031393081 /nfs/dbraw/zinc/39/30/81/1031393081.db2.gz LYIRVEDFCPGBEN-QLJPJBMISA-N 1 2 343.320 3.778 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448659060 1031424867 /nfs/dbraw/zinc/42/48/67/1031424867.db2.gz DTXNTFRSSFQROT-IFMALSPDSA-N 1 2 345.446 3.525 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000668307486 1031437445 /nfs/dbraw/zinc/43/74/45/1031437445.db2.gz GZPRBHFAYOUNMW-INIZCTEOSA-N 1 2 325.456 3.620 20 0 EHADLO COCCCOc1ccccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635409843 1031462544 /nfs/dbraw/zinc/46/25/44/1031462544.db2.gz XORCRKIDJLTTFI-KRWDZBQOSA-N 1 2 345.443 3.524 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2C1 ZINC000347423988 1031511126 /nfs/dbraw/zinc/51/11/26/1031511126.db2.gz GPRUQUYISQTIGL-ZIAGYGMSSA-N 1 2 343.496 3.626 20 0 EHADLO O=C([C@@H]1CC12CCN(c1[nH+]ccc3ccccc31)CC2)N1CCCCC1 ZINC000527957253 1031522202 /nfs/dbraw/zinc/52/22/02/1031522202.db2.gz SHXJWZKMCUMUGK-IBGZPJMESA-N 1 2 349.478 3.854 20 0 EHADLO CCOc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1F ZINC000278589449 1031523628 /nfs/dbraw/zinc/52/36/28/1031523628.db2.gz IBPAUWQGAWNAQX-UHFFFAOYSA-N 1 2 333.325 3.568 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)nc2)c(C)[nH+]1 ZINC000177505023 1031547823 /nfs/dbraw/zinc/54/78/23/1031547823.db2.gz NWMUWJBWEQZTOH-UHFFFAOYSA-N 1 2 338.455 3.890 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000177907921 1031594156 /nfs/dbraw/zinc/59/41/56/1031594156.db2.gz KVVBGBRXRVKWKB-GFCCVEGCSA-N 1 2 328.803 3.548 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1C1CC1 ZINC000528036389 1031615239 /nfs/dbraw/zinc/61/52/39/1031615239.db2.gz QWEJDJKORAPIPF-QXUJUKQOSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1C1CC1 ZINC000528036389 1031615250 /nfs/dbraw/zinc/61/52/50/1031615250.db2.gz QWEJDJKORAPIPF-QXUJUKQOSA-N 1 2 342.483 3.526 20 0 EHADLO CC1(C)COc2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc21 ZINC000584083393 1031661609 /nfs/dbraw/zinc/66/16/09/1031661609.db2.gz OMLOATOUEYBLNB-UHFFFAOYSA-N 1 2 333.391 3.999 20 0 EHADLO CSCC[N@H+](C)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000178511520 1031675669 /nfs/dbraw/zinc/67/56/69/1031675669.db2.gz IRBRIURNNKCNRL-UHFFFAOYSA-N 1 2 336.526 3.692 20 0 EHADLO CSCC[N@@H+](C)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000178511520 1031675673 /nfs/dbraw/zinc/67/56/73/1031675673.db2.gz IRBRIURNNKCNRL-UHFFFAOYSA-N 1 2 336.526 3.692 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)c(Cl)cc1Cl ZINC000178358773 1031686686 /nfs/dbraw/zinc/68/66/86/1031686686.db2.gz XTQFVQRGHRPDFK-UHFFFAOYSA-N 1 2 338.169 3.710 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)n1 ZINC000178668291 1031714164 /nfs/dbraw/zinc/71/41/64/1031714164.db2.gz XUMFDCFUBNNQFU-HXUWFJFHSA-N 1 2 332.451 3.972 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)n1 ZINC000178668291 1031714171 /nfs/dbraw/zinc/71/41/71/1031714171.db2.gz XUMFDCFUBNNQFU-HXUWFJFHSA-N 1 2 332.451 3.972 20 0 EHADLO CC[C@@H](C)[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000343635287 1031721524 /nfs/dbraw/zinc/72/15/24/1031721524.db2.gz SPPHWYFBTNEXLE-CRAIPNDOSA-N 1 2 343.471 3.718 20 0 EHADLO CSc1ccccc1C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484569166 1031723929 /nfs/dbraw/zinc/72/39/29/1031723929.db2.gz JVJLOGCWDXHADA-GOSISDBHSA-N 1 2 329.465 3.688 20 0 EHADLO CSc1ccccc1C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484569166 1031723944 /nfs/dbraw/zinc/72/39/44/1031723944.db2.gz JVJLOGCWDXHADA-GOSISDBHSA-N 1 2 329.465 3.688 20 0 EHADLO CCS[C@@H](C)c1noc([C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904098274 1031724597 /nfs/dbraw/zinc/72/45/97/1031724597.db2.gz RUXGYHBSCLXEJX-KWQFWETISA-N 1 2 342.262 3.694 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528106490 1031733356 /nfs/dbraw/zinc/73/33/56/1031733356.db2.gz XYCMBUBRTHRGFT-UHFFFAOYSA-N 1 2 330.476 3.515 20 0 EHADLO FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000179093417 1031733506 /nfs/dbraw/zinc/73/35/06/1031733506.db2.gz KKEXVGLBRSOXFW-VIFPVBQESA-N 1 2 333.404 3.998 20 0 EHADLO FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000179093417 1031733523 /nfs/dbraw/zinc/73/35/23/1031733523.db2.gz KKEXVGLBRSOXFW-VIFPVBQESA-N 1 2 333.404 3.998 20 0 EHADLO CC(=O)c1c(C)oc2ncnc(NCc3ccccc3-n3cc[nH+]c3)c21 ZINC000178884797 1031738841 /nfs/dbraw/zinc/73/88/41/1031738841.db2.gz YXSHBEDQXKLCRT-UHFFFAOYSA-N 1 2 347.378 3.532 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000117582967 1031759756 /nfs/dbraw/zinc/75/97/56/1031759756.db2.gz ZYNLWYLAVOSHRW-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO CC(C)Oc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117599430 1031760962 /nfs/dbraw/zinc/76/09/62/1031760962.db2.gz NOZODYXLHOZDTH-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2nc3ccc(N)cc3s2)c1C ZINC000685268932 1031776073 /nfs/dbraw/zinc/77/60/73/1031776073.db2.gz DBRWDDYZRZOKRF-UHFFFAOYSA-N 1 2 328.441 3.535 20 0 EHADLO C[C@]1(Br)C[C@@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000528127483 1031778678 /nfs/dbraw/zinc/77/86/78/1031778678.db2.gz VHHMSOJKKZFTBJ-DOMZBBRYSA-N 1 2 345.200 3.563 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179495635 1031780160 /nfs/dbraw/zinc/78/01/60/1031780160.db2.gz LGDQSIRJYOEZSK-ZDUSSCGKSA-N 1 2 331.489 3.642 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179495635 1031780173 /nfs/dbraw/zinc/78/01/73/1031780173.db2.gz LGDQSIRJYOEZSK-ZDUSSCGKSA-N 1 2 331.489 3.642 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000086233651 1031815437 /nfs/dbraw/zinc/81/54/37/1031815437.db2.gz UVUTYWPMHQZENN-MRXNPFEDSA-N 1 2 338.451 3.996 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000086233651 1031815449 /nfs/dbraw/zinc/81/54/49/1031815449.db2.gz UVUTYWPMHQZENN-MRXNPFEDSA-N 1 2 338.451 3.996 20 0 EHADLO CC[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528165845 1031824300 /nfs/dbraw/zinc/82/43/00/1031824300.db2.gz SEWYFYJXHKKAPA-SFHVURJKSA-N 1 2 340.471 3.710 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cc2cnccc2o1 ZINC000657831420 1031826598 /nfs/dbraw/zinc/82/65/98/1031826598.db2.gz XXGKAEDFQCEUEM-STQMWFEESA-N 1 2 325.416 3.558 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000086364026 1031841812 /nfs/dbraw/zinc/84/18/12/1031841812.db2.gz COZLXXLYWZCKSG-INIZCTEOSA-N 1 2 340.471 3.650 20 0 EHADLO O=C(NC1CCC(C(F)(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117750434 1031848198 /nfs/dbraw/zinc/84/81/98/1031848198.db2.gz KMJREOYWPLEUDN-UHFFFAOYSA-N 1 2 337.345 3.723 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cnn1C ZINC000180322335 1031876586 /nfs/dbraw/zinc/87/65/86/1031876586.db2.gz IWHHNLKVMXPPCX-FOIQADDNSA-N 1 2 348.450 3.759 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000448912826 1031880478 /nfs/dbraw/zinc/88/04/78/1031880478.db2.gz TYLWOJPVMYYGET-RZQQEMMASA-N 1 2 330.472 3.845 20 0 EHADLO CCOc1ccc(C[C@H](C)c2nc(-c3ccc(N)[nH+]c3C)no2)cc1 ZINC000904262523 1031889759 /nfs/dbraw/zinc/88/97/59/1031889759.db2.gz HRBJWIZBWWSTHF-LBPRGKRZSA-N 1 2 338.411 3.767 20 0 EHADLO Cc1c(-c2nc(-c3ccc(N)[nH+]c3C)no2)cnn1C1CCCCC1 ZINC000904259590 1031906214 /nfs/dbraw/zinc/90/62/14/1031906214.db2.gz GVFIVKQYKLXVNK-UHFFFAOYSA-N 1 2 338.415 3.699 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CC12CCCCC2 ZINC000537808933 1031930558 /nfs/dbraw/zinc/93/05/58/1031930558.db2.gz MZYFIVFQIUKNDS-HNNXBMFYSA-N 1 2 348.516 3.973 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000181001526 1031933073 /nfs/dbraw/zinc/93/30/73/1031933073.db2.gz SNWSKKYEWNVCBL-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000181001526 1031933082 /nfs/dbraw/zinc/93/30/82/1031933082.db2.gz SNWSKKYEWNVCBL-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO Cc1nonc1[C@@H](C)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000924646462 1031983891 /nfs/dbraw/zinc/98/38/91/1031983891.db2.gz BQWRFCRESGPXIY-WBMJQRKESA-N 1 2 334.851 3.519 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347488957 1031992211 /nfs/dbraw/zinc/99/22/11/1031992211.db2.gz RUHVHHKGNRDXIJ-HOCLYGCPSA-N 1 2 345.874 3.658 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1F ZINC000181576854 1032008067 /nfs/dbraw/zinc/00/80/67/1032008067.db2.gz VRKQYTQLOUEYPP-LBPRGKRZSA-N 1 2 328.366 3.611 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000449007127 1032046603 /nfs/dbraw/zinc/04/66/03/1032046603.db2.gz JCVYWTQIUCAGMI-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000449007127 1032046617 /nfs/dbraw/zinc/04/66/17/1032046617.db2.gz JCVYWTQIUCAGMI-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1=S ZINC000173401318 1033303633 /nfs/dbraw/zinc/30/36/33/1033303633.db2.gz FCRINDHRPNZQPL-HNNXBMFYSA-N 1 2 348.541 3.814 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1=S ZINC000173401318 1033303646 /nfs/dbraw/zinc/30/36/46/1033303646.db2.gz FCRINDHRPNZQPL-HNNXBMFYSA-N 1 2 348.541 3.814 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CC[C@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054879 1033308610 /nfs/dbraw/zinc/30/86/10/1033308610.db2.gz KMJOFKSJISWGMM-GXTWGEPZSA-N 1 2 344.352 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CC[C@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054879 1033308621 /nfs/dbraw/zinc/30/86/21/1033308621.db2.gz KMJOFKSJISWGMM-GXTWGEPZSA-N 1 2 344.352 3.514 20 0 EHADLO Brc1cscc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000685419823 1033309246 /nfs/dbraw/zinc/30/92/46/1033309246.db2.gz ZFMWIIPFWOKMPR-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2cccc(F)c2o1 ZINC000607777279 1033312236 /nfs/dbraw/zinc/31/22/36/1033312236.db2.gz HPYHJXZEKTXKNO-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000574662052 1033319359 /nfs/dbraw/zinc/31/93/59/1033319359.db2.gz SDINVFFUCRXZHG-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000574662052 1033319371 /nfs/dbraw/zinc/31/93/71/1033319371.db2.gz SDINVFFUCRXZHG-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574641716 1033333453 /nfs/dbraw/zinc/33/34/53/1033333453.db2.gz YGOPCVPYCWNDCH-ZHALLVOQSA-N 1 2 341.455 3.649 20 0 EHADLO CCCC[C@H](COC)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104286 1033352821 /nfs/dbraw/zinc/35/28/21/1033352821.db2.gz CYWRIVLQJJBENB-PBHICJAKSA-N 1 2 337.414 3.583 20 0 EHADLO c1ccc(CC[N@H+](Cc2n[nH]c3ccccc23)Cc2ccncc2)nc1 ZINC000685464634 1033361109 /nfs/dbraw/zinc/36/11/09/1033361109.db2.gz RCEDFZUXOXQAET-UHFFFAOYSA-N 1 2 343.434 3.598 20 0 EHADLO c1ccc(CC[N@@H+](Cc2n[nH]c3ccccc23)Cc2ccncc2)nc1 ZINC000685464634 1033361118 /nfs/dbraw/zinc/36/11/18/1033361118.db2.gz RCEDFZUXOXQAET-UHFFFAOYSA-N 1 2 343.434 3.598 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486435 1033365799 /nfs/dbraw/zinc/36/57/99/1033365799.db2.gz UMZHBCOCZNEUHE-KBPBESRZSA-N 1 2 340.562 3.704 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486435 1033365813 /nfs/dbraw/zinc/36/58/13/1033365813.db2.gz UMZHBCOCZNEUHE-KBPBESRZSA-N 1 2 340.562 3.704 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@@H]1F ZINC000898188736 1033385864 /nfs/dbraw/zinc/38/58/64/1033385864.db2.gz OQAZXDQKNIIBRE-RBUKOAKNSA-N 1 2 343.446 3.570 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@@H]1F ZINC000898188736 1033385879 /nfs/dbraw/zinc/38/58/79/1033385879.db2.gz OQAZXDQKNIIBRE-RBUKOAKNSA-N 1 2 343.446 3.570 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000343805477 1033409257 /nfs/dbraw/zinc/40/92/57/1033409257.db2.gz LCRDDKHPUYDRIS-HZPDHXFCSA-N 1 2 343.496 3.914 20 0 EHADLO COc1ccc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000529107413 1033412768 /nfs/dbraw/zinc/41/27/68/1033412768.db2.gz ZKMXUYAQNPPTIX-ZDUSSCGKSA-N 1 2 343.427 3.907 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2oc3c(cccc3C)c2C)c[nH+]1 ZINC000898279276 1033423770 /nfs/dbraw/zinc/42/37/70/1033423770.db2.gz AHFOWHMKSHYYPA-UHFFFAOYSA-N 1 2 339.439 3.948 20 0 EHADLO COc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(Cl)c1 ZINC000594587944 1033463493 /nfs/dbraw/zinc/46/34/93/1033463493.db2.gz IJXUOMFYDZQKRI-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000594709602 1033501059 /nfs/dbraw/zinc/50/10/59/1033501059.db2.gz NEWDUSNNCPYUQU-IBGZPJMESA-N 1 2 348.849 3.945 20 0 EHADLO O=C(COc1ccccc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567540 1033517113 /nfs/dbraw/zinc/51/71/13/1033517113.db2.gz HXGLGPSMPBBAOF-UHFFFAOYSA-N 1 2 347.418 3.904 20 0 EHADLO CC12CC(C1)CN2C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000666894668 1033520238 /nfs/dbraw/zinc/52/02/38/1033520238.db2.gz XLQFZNFNCPLVSK-UHFFFAOYSA-N 1 2 336.439 3.903 20 0 EHADLO Cc1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc[nH+]1 ZINC000120216496 1033524613 /nfs/dbraw/zinc/52/46/13/1033524613.db2.gz WUDIRHOESDRHCL-UHFFFAOYSA-N 1 2 339.439 3.760 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC001168295301 1033547621 /nfs/dbraw/zinc/54/76/21/1033547621.db2.gz KQGYFYACBHIVFY-MSOLQXFVSA-N 1 2 333.472 3.818 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC001168295301 1033547631 /nfs/dbraw/zinc/54/76/31/1033547631.db2.gz KQGYFYACBHIVFY-MSOLQXFVSA-N 1 2 333.472 3.818 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000449986640 1033553799 /nfs/dbraw/zinc/55/37/99/1033553799.db2.gz BNERSNKFMIJFKI-IRXDYDNUSA-N 1 2 325.456 3.747 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)CCC1(F)F ZINC000685591341 1033598352 /nfs/dbraw/zinc/59/83/52/1033598352.db2.gz TUEHXQSIISGFMZ-JTQLQIEISA-N 1 2 327.762 3.867 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)CCC1(F)F ZINC000685591341 1033598366 /nfs/dbraw/zinc/59/83/66/1033598366.db2.gz TUEHXQSIISGFMZ-JTQLQIEISA-N 1 2 327.762 3.867 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000685590684 1033598551 /nfs/dbraw/zinc/59/85/51/1033598551.db2.gz WVHPUYPGLTZFHQ-MNOVXSKESA-N 1 2 348.340 3.592 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000685590684 1033598556 /nfs/dbraw/zinc/59/85/56/1033598556.db2.gz WVHPUYPGLTZFHQ-MNOVXSKESA-N 1 2 348.340 3.592 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000608326424 1033603571 /nfs/dbraw/zinc/60/35/71/1033603571.db2.gz HYJYRYVQQPTKGR-KRWDZBQOSA-N 1 2 342.443 3.848 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC000080537708 1033608545 /nfs/dbraw/zinc/60/85/45/1033608545.db2.gz ZEJVDTXPLYCRJO-SFHVURJKSA-N 1 2 343.471 3.966 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCC2CCCCC2)s1 ZINC000106874871 1033624537 /nfs/dbraw/zinc/62/45/37/1033624537.db2.gz QNVKNIMJLJONEV-AWEZNQCLSA-N 1 2 337.533 3.839 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCC2CCCCC2)s1 ZINC000106874871 1033624545 /nfs/dbraw/zinc/62/45/45/1033624545.db2.gz QNVKNIMJLJONEV-AWEZNQCLSA-N 1 2 337.533 3.839 20 0 EHADLO O[C@H](CNc1[nH+]cccc1OCc1ccccc1)c1cccc(F)c1 ZINC000760512012 1033634935 /nfs/dbraw/zinc/63/49/35/1033634935.db2.gz STXSRTFSBOFVBL-GOSISDBHSA-N 1 2 338.382 3.945 20 0 EHADLO CCn1cc(C[NH2+][C@@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)nn1 ZINC000595067003 1033643766 /nfs/dbraw/zinc/64/37/66/1033643766.db2.gz DKGLAMPJBVJKEJ-GOSISDBHSA-N 1 2 342.487 3.907 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000081017199 1033715269 /nfs/dbraw/zinc/71/52/69/1033715269.db2.gz IWYNOFOHMRJESQ-MRXNPFEDSA-N 1 2 334.423 3.603 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000529269326 1033741552 /nfs/dbraw/zinc/74/15/52/1033741552.db2.gz BJPLSIOMOGTWTD-JKSUJKDBSA-N 1 2 341.455 3.712 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C4(C)CC4)CC3)n2)C1 ZINC000574959057 1033744949 /nfs/dbraw/zinc/74/49/49/1033744949.db2.gz KUZWILBAZQOOBY-CYBMUJFWSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C4(C)CC4)CC3)n2)C1 ZINC000574959057 1033744964 /nfs/dbraw/zinc/74/49/64/1033744964.db2.gz KUZWILBAZQOOBY-CYBMUJFWSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@@H](CC(=O)N(CCc1ccc(F)cc1)C1CCCC1)n1cc[nH+]c1 ZINC000574992381 1033755022 /nfs/dbraw/zinc/75/50/22/1033755022.db2.gz HDVDZGVONOAULT-INIZCTEOSA-N 1 2 343.446 3.987 20 0 EHADLO CC(C)Oc1cc(NCCc2ccc(Br)cn2)cc[nH+]1 ZINC001168305835 1033756092 /nfs/dbraw/zinc/75/60/92/1033756092.db2.gz LMSYDXJJWCMDTA-UHFFFAOYSA-N 1 2 336.233 3.681 20 0 EHADLO O=C(Nc1ccccc1O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081932536 1033772140 /nfs/dbraw/zinc/77/21/40/1033772140.db2.gz WCUGUWGMUXZAHJ-QGZVFWFLSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1ccccc1O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081932536 1033772153 /nfs/dbraw/zinc/77/21/53/1033772153.db2.gz WCUGUWGMUXZAHJ-QGZVFWFLSA-N 1 2 328.387 3.525 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000595361576 1033780931 /nfs/dbraw/zinc/78/09/31/1033780931.db2.gz XXGCJTJROYDPRU-CQSZACIVSA-N 1 2 327.428 3.620 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000595361576 1033780943 /nfs/dbraw/zinc/78/09/43/1033780943.db2.gz XXGCJTJROYDPRU-CQSZACIVSA-N 1 2 327.428 3.620 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)csc2C1 ZINC000120472794 1033847283 /nfs/dbraw/zinc/84/72/83/1033847283.db2.gz FEBJOFKMQOIYFW-ZFWWWQNUSA-N 1 2 342.464 3.561 20 0 EHADLO COc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[N@@H+]3C)sc2C)cc1 ZINC000599296756 1033860847 /nfs/dbraw/zinc/86/08/47/1033860847.db2.gz MZNSHEHSUHSXNU-HNNXBMFYSA-N 1 2 345.468 3.550 20 0 EHADLO COc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[N@H+]3C)sc2C)cc1 ZINC000599296756 1033860858 /nfs/dbraw/zinc/86/08/58/1033860858.db2.gz MZNSHEHSUHSXNU-HNNXBMFYSA-N 1 2 345.468 3.550 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1(CF)CCC1 ZINC000575182820 1033882249 /nfs/dbraw/zinc/88/22/49/1033882249.db2.gz LPHGNFADZKHWNI-UHFFFAOYSA-N 1 2 327.403 3.965 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000450211705 1033904121 /nfs/dbraw/zinc/90/41/21/1033904121.db2.gz AZLUREXXKPZIMY-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000450211705 1033904125 /nfs/dbraw/zinc/90/41/25/1033904125.db2.gz AZLUREXXKPZIMY-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cs1 ZINC000120577171 1033933556 /nfs/dbraw/zinc/93/35/56/1033933556.db2.gz GHQPZMQTHLTWTI-HNNXBMFYSA-N 1 2 330.501 3.540 20 0 EHADLO Cc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000055254899 1033941143 /nfs/dbraw/zinc/94/11/43/1033941143.db2.gz STCUDLCDXJNTNJ-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3C[C@H](C)n4ncnc43)oc21 ZINC000658101914 1033950654 /nfs/dbraw/zinc/95/06/54/1033950654.db2.gz NEFBWPDHUBPRRS-OBJOEFQTSA-N 1 2 326.400 3.780 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000516849775 1033971862 /nfs/dbraw/zinc/97/18/62/1033971862.db2.gz MPHXXVRGZXSUFV-HOCLYGCPSA-N 1 2 346.862 3.599 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCSCC3)c2cc1Br ZINC000450255285 1033974313 /nfs/dbraw/zinc/97/43/13/1033974313.db2.gz YKQLSQLKPGSPAG-UHFFFAOYSA-N 1 2 327.222 3.690 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000603885144 1034010311 /nfs/dbraw/zinc/01/03/11/1034010311.db2.gz RHHUROBSFYLKFJ-UHFFFAOYSA-N 1 2 342.305 3.669 20 0 EHADLO COCc1nnc(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000658156259 1034010966 /nfs/dbraw/zinc/01/09/66/1034010966.db2.gz HSTPUCHMYJVNTN-HOTGVXAUSA-N 1 2 348.878 3.811 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CC[C@H]2CCc3ccccc32)CCOCC1 ZINC000595902821 1034026199 /nfs/dbraw/zinc/02/61/99/1034026199.db2.gz SFJYUPVYQROPAP-QGZVFWFLSA-N 1 2 345.483 3.587 20 0 EHADLO C[C@H]1C[N@H+](CCOCCOc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120684434 1034026750 /nfs/dbraw/zinc/02/67/50/1034026750.db2.gz CRZZSNUWJXJTME-QFBILLFUSA-N 1 2 347.480 3.606 20 0 EHADLO C[C@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120684434 1034026757 /nfs/dbraw/zinc/02/67/57/1034026757.db2.gz CRZZSNUWJXJTME-QFBILLFUSA-N 1 2 347.480 3.606 20 0 EHADLO CC(C)c1noc(CCCNc2[nH+]cnc3[nH]c4ccccc4c32)n1 ZINC000450279110 1034039676 /nfs/dbraw/zinc/03/96/76/1034039676.db2.gz SNFABBMHTZLYBX-UHFFFAOYSA-N 1 2 336.399 3.662 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450299245 1034053702 /nfs/dbraw/zinc/05/37/02/1034053702.db2.gz OHEJMVUJYGXTKS-LBPRGKRZSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450299245 1034053714 /nfs/dbraw/zinc/05/37/14/1034053714.db2.gz OHEJMVUJYGXTKS-LBPRGKRZSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1cccc(F)c1 ZINC000472359247 1034058304 /nfs/dbraw/zinc/05/83/04/1034058304.db2.gz KXHZZLDRIVYCKZ-YJYMSZOUSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1cccc(F)c1 ZINC000472359247 1034058313 /nfs/dbraw/zinc/05/83/13/1034058313.db2.gz KXHZZLDRIVYCKZ-YJYMSZOUSA-N 1 2 330.378 3.986 20 0 EHADLO Brc1cccc2c(N[C@@H]3CCO[C@@H]3C3CC3)cc[nH+]c12 ZINC000534062583 1034090221 /nfs/dbraw/zinc/09/02/21/1034090221.db2.gz KPAWKIJSOCGLLR-GDBMZVCRSA-N 1 2 333.229 3.977 20 0 EHADLO Cc1cc(C(F)(F)F)cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000596153024 1034094672 /nfs/dbraw/zinc/09/46/72/1034094672.db2.gz WHTOCCAHCGAEGV-NSHDSACASA-N 1 2 330.350 3.577 20 0 EHADLO COc1ccc([C@H](CCC(C)C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658233877 1034095656 /nfs/dbraw/zinc/09/56/56/1034095656.db2.gz UCMFJOGOTQNFGE-HNNXBMFYSA-N 1 2 347.484 3.518 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ncc(Br)s1 ZINC000658235414 1034101969 /nfs/dbraw/zinc/10/19/69/1034101969.db2.gz DEIPFWAVMMAJEQ-PRHODGIISA-N 1 2 339.258 3.949 20 0 EHADLO O=C(Nc1csc2ccccc12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000537612155 1034108185 /nfs/dbraw/zinc/10/81/85/1034108185.db2.gz VGNXNKKQPNTJBS-ZDUSSCGKSA-N 1 2 326.425 3.794 20 0 EHADLO COCCCOC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529534230 1034122071 /nfs/dbraw/zinc/12/20/71/1034122071.db2.gz ZVEUBTXMPHKGBZ-UHFFFAOYSA-N 1 2 333.806 3.636 20 0 EHADLO Cc1csc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000456127651 1034152915 /nfs/dbraw/zinc/15/29/15/1034152915.db2.gz NGDZQFUFURTLFQ-UHFFFAOYSA-N 1 2 345.493 3.562 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000929176648 1034158753 /nfs/dbraw/zinc/15/87/53/1034158753.db2.gz AAWUPMVXOCZTKU-MRVPVSSYSA-N 1 2 332.292 3.864 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000929176648 1034158762 /nfs/dbraw/zinc/15/87/62/1034158762.db2.gz AAWUPMVXOCZTKU-MRVPVSSYSA-N 1 2 332.292 3.864 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1(C)C ZINC000604033996 1034162469 /nfs/dbraw/zinc/16/24/69/1034162469.db2.gz BYSVBQMHBUXEGA-BHIYHBOVSA-N 1 2 341.499 3.525 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000119463223 1034167187 /nfs/dbraw/zinc/16/71/87/1034167187.db2.gz YGPHYRGRLPXNLO-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000119463223 1034167194 /nfs/dbraw/zinc/16/71/94/1034167194.db2.gz YGPHYRGRLPXNLO-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO C[C@@H](CCO)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450360531 1034197270 /nfs/dbraw/zinc/19/72/70/1034197270.db2.gz LDBDEIANVGITPL-VIFPVBQESA-N 1 2 327.197 3.567 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)CC1=CCCOC1 ZINC000596465995 1034248726 /nfs/dbraw/zinc/24/87/26/1034248726.db2.gz QCAGNXVRWUKVJI-UHFFFAOYSA-N 1 2 340.423 3.503 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)s2)c(C)c1 ZINC000647392135 1034279211 /nfs/dbraw/zinc/27/92/11/1034279211.db2.gz JBYOQBSHTKXQIU-GASCZTMLSA-N 1 2 343.496 3.592 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)s2)c(C)c1 ZINC000647392135 1034279224 /nfs/dbraw/zinc/27/92/24/1034279224.db2.gz JBYOQBSHTKXQIU-GASCZTMLSA-N 1 2 343.496 3.592 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000604267791 1034308634 /nfs/dbraw/zinc/30/86/34/1034308634.db2.gz QKCFZIFPGPWJHB-UHFFFAOYSA-N 1 2 347.846 3.754 20 0 EHADLO FC(F)(F)c1nc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000892439764 1034309381 /nfs/dbraw/zinc/30/93/81/1034309381.db2.gz ZBARRHHYMGYJIM-ZDUSSCGKSA-N 1 2 341.402 3.526 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1C ZINC000596592976 1034310001 /nfs/dbraw/zinc/31/00/01/1034310001.db2.gz OCJLCCOUAZWVEB-SUMWQHHRSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1C ZINC000596592976 1034310013 /nfs/dbraw/zinc/31/00/13/1034310013.db2.gz OCJLCCOUAZWVEB-SUMWQHHRSA-N 1 2 328.412 3.914 20 0 EHADLO Cc1csc(=O)n1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000101919515 1034321940 /nfs/dbraw/zinc/32/19/40/1034321940.db2.gz VLRMPNPRZGTWSM-UHFFFAOYSA-N 1 2 336.460 3.901 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443326 1034337085 /nfs/dbraw/zinc/33/70/85/1034337085.db2.gz VCRGXMMBHOMAFK-HUUCEWRRSA-N 1 2 335.517 3.975 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443326 1034337095 /nfs/dbraw/zinc/33/70/95/1034337095.db2.gz VCRGXMMBHOMAFK-HUUCEWRRSA-N 1 2 335.517 3.975 20 0 EHADLO Fc1cc2[nH+]ccc(NCC[C@@H]3CCOC3)c2cc1Br ZINC000450443398 1034337576 /nfs/dbraw/zinc/33/75/76/1034337576.db2.gz VXOUMMVAXZKYOV-SNVBAGLBSA-N 1 2 339.208 3.975 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101972447 1034347712 /nfs/dbraw/zinc/34/77/12/1034347712.db2.gz XSEFQVAGAOAQQG-MRXNPFEDSA-N 1 2 346.434 3.664 20 0 EHADLO C[C@@H](CCC1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000604380645 1034354857 /nfs/dbraw/zinc/35/48/57/1034354857.db2.gz SAKKPWZKHCNRAY-WMZOPIPTSA-N 1 2 346.519 3.846 20 0 EHADLO C[C@@H](CCC1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000604380645 1034354871 /nfs/dbraw/zinc/35/48/71/1034354871.db2.gz SAKKPWZKHCNRAY-WMZOPIPTSA-N 1 2 346.519 3.846 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c[nH+]1 ZINC000534299646 1034358160 /nfs/dbraw/zinc/35/81/60/1034358160.db2.gz CCTRFUMWEVMDOJ-NSHDSACASA-N 1 2 339.222 3.833 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000685717736 1034362226 /nfs/dbraw/zinc/36/22/26/1034362226.db2.gz MYUYNVHRJKFZFJ-NRFANRHFSA-N 1 2 345.446 3.586 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cs1)C1CC1 ZINC000604416155 1034370576 /nfs/dbraw/zinc/37/05/76/1034370576.db2.gz JYDAELRHJDUIIY-GOSISDBHSA-N 1 2 341.480 3.744 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3C)o2)CCO1 ZINC000529667023 1034392218 /nfs/dbraw/zinc/39/22/18/1034392218.db2.gz QQIZSOQZGWWQTO-MRXNPFEDSA-N 1 2 333.403 3.631 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3C)o2)CCO1 ZINC000529667023 1034392231 /nfs/dbraw/zinc/39/22/31/1034392231.db2.gz QQIZSOQZGWWQTO-MRXNPFEDSA-N 1 2 333.403 3.631 20 0 EHADLO CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C)[nH+]cc2C)C12CCCCC2 ZINC000534324132 1034397900 /nfs/dbraw/zinc/39/79/00/1034397900.db2.gz RHXZKHQXPUCXDN-QZTJIDSGSA-N 1 2 345.487 3.712 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000761201505 1034405965 /nfs/dbraw/zinc/40/59/65/1034405965.db2.gz BIVRGFXXJBJYQO-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000761201505 1034405973 /nfs/dbraw/zinc/40/59/73/1034405973.db2.gz BIVRGFXXJBJYQO-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO CCCc1nc(C[N@H+](CCC(=O)OC)Cc2ccccc2)cs1 ZINC000604560510 1034412120 /nfs/dbraw/zinc/41/21/20/1034412120.db2.gz FGTFOKYXJHIGKL-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO CCCc1nc(C[N@@H+](CCC(=O)OC)Cc2ccccc2)cs1 ZINC000604560510 1034412129 /nfs/dbraw/zinc/41/21/29/1034412129.db2.gz FGTFOKYXJHIGKL-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604576105 1034424666 /nfs/dbraw/zinc/42/46/66/1034424666.db2.gz NKJDODKGPVAVTC-INIZCTEOSA-N 1 2 328.460 3.888 20 0 EHADLO O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030564817 1034429104 /nfs/dbraw/zinc/42/91/04/1034429104.db2.gz YMYOWNNPQVCREV-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO C[C@H](CC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2)n1cc[nH+]c1 ZINC000529705641 1034455749 /nfs/dbraw/zinc/45/57/49/1034455749.db2.gz BDNISXWANXHEIC-CQSZACIVSA-N 1 2 325.412 3.721 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)F)c1 ZINC000171553686 1034468322 /nfs/dbraw/zinc/46/83/22/1034468322.db2.gz WLFMAYPHBYUJQK-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO Cc1ccccc1[C@@]1(F)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000669719319 1034470322 /nfs/dbraw/zinc/47/03/22/1034470322.db2.gz JVCFGRDCXQBHBO-LJQANCHMSA-N 1 2 338.386 3.745 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121172856 1034486175 /nfs/dbraw/zinc/48/61/75/1034486175.db2.gz OSMDQXCYCXLBIS-GOSISDBHSA-N 1 2 349.434 3.566 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)cn2)cc1 ZINC000121188440 1034494230 /nfs/dbraw/zinc/49/42/30/1034494230.db2.gz QNOYXXLUUWVUCK-OAHLLOKOSA-N 1 2 341.846 3.628 20 0 EHADLO O=C([O-])c1ccc[nH+]c1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000647450407 1034584296 /nfs/dbraw/zinc/58/42/96/1034584296.db2.gz NPDNHBDHANTNLG-UHFFFAOYSA-N 1 2 339.439 3.768 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121251815 1034597239 /nfs/dbraw/zinc/59/72/39/1034597239.db2.gz VFKGKTXATPURMU-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121251815 1034597248 /nfs/dbraw/zinc/59/72/48/1034597248.db2.gz VFKGKTXATPURMU-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299493186 1034615714 /nfs/dbraw/zinc/61/57/14/1034615714.db2.gz GKIVDEKMOIRMHG-UHFFFAOYSA-N 1 2 348.450 3.790 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C[C@@H]1C ZINC000597222405 1034622558 /nfs/dbraw/zinc/62/25/58/1034622558.db2.gz PTCAKDBLOPPBPQ-WDEREUQCSA-N 1 2 347.789 3.572 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C[C@@H]1C ZINC000597222405 1034622562 /nfs/dbraw/zinc/62/25/62/1034622562.db2.gz PTCAKDBLOPPBPQ-WDEREUQCSA-N 1 2 347.789 3.572 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000605092675 1034625531 /nfs/dbraw/zinc/62/55/31/1034625531.db2.gz OHCKXMXRRICPTH-KRWDZBQOSA-N 1 2 333.435 3.850 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1csnn1 ZINC000450670889 1034670237 /nfs/dbraw/zinc/67/02/37/1034670237.db2.gz DOIWCOZXTFXTQK-VHSXEESVSA-N 1 2 331.363 3.891 20 0 EHADLO O=C(Nc1ccc(O)c(F)c1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456781917 1034726849 /nfs/dbraw/zinc/72/68/49/1034726849.db2.gz KCBTVENWLQFRNY-OAHLLOKOSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1ccc(O)c(F)c1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456781917 1034726868 /nfs/dbraw/zinc/72/68/68/1034726868.db2.gz KCBTVENWLQFRNY-OAHLLOKOSA-N 1 2 346.377 3.664 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3cccc(F)c3)CCCC2)c[nH+]1 ZINC000456844321 1034763391 /nfs/dbraw/zinc/76/33/91/1034763391.db2.gz IADQMZYUIJQQAP-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO COc1cc(Cl)c(Cl)cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456839210 1034784195 /nfs/dbraw/zinc/78/41/95/1034784195.db2.gz MAUXHPWOWDPKQW-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO c1ccc(OCCOCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000534666501 1034788585 /nfs/dbraw/zinc/78/85/85/1034788585.db2.gz KDNKYANDSFOFKX-UHFFFAOYSA-N 1 2 336.435 3.622 20 0 EHADLO c1ccc(OCCOCC[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000534666501 1034788594 /nfs/dbraw/zinc/78/85/94/1034788594.db2.gz KDNKYANDSFOFKX-UHFFFAOYSA-N 1 2 336.435 3.622 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278791740 1034790405 /nfs/dbraw/zinc/79/04/05/1034790405.db2.gz OCQOKNGQTHEBGN-ZJUUUORDSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278791740 1034790420 /nfs/dbraw/zinc/79/04/20/1034790420.db2.gz OCQOKNGQTHEBGN-ZJUUUORDSA-N 1 2 336.304 3.566 20 0 EHADLO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456869235 1034802594 /nfs/dbraw/zinc/80/25/94/1034802594.db2.gz YDEWBLQAIYXYIE-UHFFFAOYSA-N 1 2 335.407 3.521 20 0 EHADLO C[C@H]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000612347643 1034824228 /nfs/dbraw/zinc/82/42/28/1034824228.db2.gz PDWVNSZBXKTXEM-UONOGXRCSA-N 1 2 343.393 3.805 20 0 EHADLO Cc1ccc(-c2n[nH]cc2CNc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000121356337 1034843422 /nfs/dbraw/zinc/84/34/22/1034843422.db2.gz ZVTKDOQISLSVCF-UHFFFAOYSA-N 1 2 337.358 3.915 20 0 EHADLO CC1(C)C[C@H](O)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450862053 1034876404 /nfs/dbraw/zinc/87/64/04/1034876404.db2.gz ZLSILHPIRJENMM-GFCCVEGCSA-N 1 2 349.272 3.985 20 0 EHADLO CC(C)(C)c1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000584477840 1034881738 /nfs/dbraw/zinc/88/17/38/1034881738.db2.gz YLHUYILAYRVBMJ-UHFFFAOYSA-N 1 2 337.467 3.778 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530043030 1034908379 /nfs/dbraw/zinc/90/83/79/1034908379.db2.gz VFZMORVWQFVDOP-OXQOHEQNSA-N 1 2 345.446 3.789 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530043030 1034908386 /nfs/dbraw/zinc/90/83/86/1034908386.db2.gz VFZMORVWQFVDOP-OXQOHEQNSA-N 1 2 345.446 3.789 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000450887055 1034916550 /nfs/dbraw/zinc/91/65/50/1034916550.db2.gz XXCHHSCHLWZATI-MRXNPFEDSA-N 1 2 336.432 3.898 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000450887055 1034916557 /nfs/dbraw/zinc/91/65/57/1034916557.db2.gz XXCHHSCHLWZATI-MRXNPFEDSA-N 1 2 336.432 3.898 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000612434693 1034929781 /nfs/dbraw/zinc/92/97/81/1034929781.db2.gz UMASMCWZRCGALM-CQSZACIVSA-N 1 2 331.847 3.788 20 0 EHADLO COc1cccc2c(N3CCC(OCCOC(C)C)CC3)cc[nH+]c12 ZINC000450911722 1034932623 /nfs/dbraw/zinc/93/26/23/1034932623.db2.gz WQJDFXVDLUXBJP-UHFFFAOYSA-N 1 2 344.455 3.654 20 0 EHADLO Cc1cc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000375933289 1034957244 /nfs/dbraw/zinc/95/72/44/1034957244.db2.gz QQHIJLDHUSUHDC-UPCLLVRISA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000375933289 1034957255 /nfs/dbraw/zinc/95/72/55/1034957255.db2.gz QQHIJLDHUSUHDC-UPCLLVRISA-N 1 2 344.480 3.525 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769294 1034982753 /nfs/dbraw/zinc/98/27/53/1034982753.db2.gz MZUXAUZFXFZTTR-YPMHNXCESA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769294 1034982761 /nfs/dbraw/zinc/98/27/61/1034982761.db2.gz MZUXAUZFXFZTTR-YPMHNXCESA-N 1 2 345.270 3.557 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000451001163 1035021607 /nfs/dbraw/zinc/02/16/07/1035021607.db2.gz PBPGCIOEXBQCSR-ZDUSSCGKSA-N 1 2 334.851 3.559 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000451001163 1035021611 /nfs/dbraw/zinc/02/16/11/1035021611.db2.gz PBPGCIOEXBQCSR-ZDUSSCGKSA-N 1 2 334.851 3.559 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451023692 1035029654 /nfs/dbraw/zinc/02/96/54/1035029654.db2.gz LTAFNICFRYLFHX-NRFANRHFSA-N 1 2 349.478 3.828 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451023692 1035029662 /nfs/dbraw/zinc/02/96/62/1035029662.db2.gz LTAFNICFRYLFHX-NRFANRHFSA-N 1 2 349.478 3.828 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000612537250 1035033953 /nfs/dbraw/zinc/03/39/53/1035033953.db2.gz PQYKVWPREBKERC-RTBURBONSA-N 1 2 343.430 3.780 20 0 EHADLO Cc1nonc1[C@@H](C)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000924550575 1035087057 /nfs/dbraw/zinc/08/70/57/1035087057.db2.gz GUGLUXGXZVXKPF-WBMJQRKESA-N 1 2 334.851 3.519 20 0 EHADLO Cc1[nH]c(CN2CC[C@H](c3cccc(Br)c3)C2)[nH+]c1C ZINC000628299447 1035091163 /nfs/dbraw/zinc/09/11/63/1035091163.db2.gz OQLZERYAQGNUGH-AWEZNQCLSA-N 1 2 334.261 3.779 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)[nH]c1C ZINC000628299447 1035091172 /nfs/dbraw/zinc/09/11/72/1035091172.db2.gz OQLZERYAQGNUGH-AWEZNQCLSA-N 1 2 334.261 3.779 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)[nH]c1C ZINC000628299447 1035091181 /nfs/dbraw/zinc/09/11/81/1035091181.db2.gz OQLZERYAQGNUGH-AWEZNQCLSA-N 1 2 334.261 3.779 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000612823018 1035246295 /nfs/dbraw/zinc/24/62/95/1035246295.db2.gz HEXVUKUOTZCKAS-UHFFFAOYSA-N 1 2 332.835 3.976 20 0 EHADLO CCc1ccc2occ(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000376092767 1035248443 /nfs/dbraw/zinc/24/84/43/1035248443.db2.gz MUJMPLLLYUFICG-OAHLLOKOSA-N 1 2 337.423 3.749 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511394726 1035294586 /nfs/dbraw/zinc/29/45/86/1035294586.db2.gz AJBLQUQFJITBJH-ZWKOTPCHSA-N 1 2 344.503 3.661 20 0 EHADLO CC(C)c1ncsc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726734 1035344101 /nfs/dbraw/zinc/34/41/01/1035344101.db2.gz SIBLUJBJTFGJHR-UHFFFAOYSA-N 1 2 344.484 3.582 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000685832689 1035363455 /nfs/dbraw/zinc/36/34/55/1035363455.db2.gz JOZLZNXIOOUWBE-VIFPVBQESA-N 1 2 348.082 3.839 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000685832689 1035363458 /nfs/dbraw/zinc/36/34/58/1035363458.db2.gz JOZLZNXIOOUWBE-VIFPVBQESA-N 1 2 348.082 3.839 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1cscc1C(F)(F)F)C1CCCCC1 ZINC000685833747 1035365790 /nfs/dbraw/zinc/36/57/90/1035365790.db2.gz QPCNXMCMKRKEKD-UHFFFAOYSA-N 1 2 348.434 3.990 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1cscc1C(F)(F)F)C1CCCCC1 ZINC000685833747 1035365792 /nfs/dbraw/zinc/36/57/92/1035365792.db2.gz QPCNXMCMKRKEKD-UHFFFAOYSA-N 1 2 348.434 3.990 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376181109 1035385676 /nfs/dbraw/zinc/38/56/76/1035385676.db2.gz KKONKRRECHUNNY-PMACEKPBSA-N 1 2 345.446 3.546 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000613105344 1035402519 /nfs/dbraw/zinc/40/25/19/1035402519.db2.gz YILGOCYUXPATAR-GUDVDZBRSA-N 1 2 337.467 3.538 20 0 EHADLO Cc1cnn([C@@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)c1 ZINC000685852397 1035420241 /nfs/dbraw/zinc/42/02/41/1035420241.db2.gz KXQPSAYVQCJQTF-GFCCVEGCSA-N 1 2 341.789 3.893 20 0 EHADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)c1 ZINC000685852397 1035420244 /nfs/dbraw/zinc/42/02/44/1035420244.db2.gz KXQPSAYVQCJQTF-GFCCVEGCSA-N 1 2 341.789 3.893 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)s1 ZINC000414079420 1035455192 /nfs/dbraw/zinc/45/51/92/1035455192.db2.gz CDQWCBLOCGJEKZ-TZMCWYRMSA-N 1 2 333.457 3.681 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161744884 1035476399 /nfs/dbraw/zinc/47/63/99/1035476399.db2.gz RNEFKWJZNBUCPF-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO Clc1cccc([C@@H]2C[N@H+](CCCCCn3cccn3)CCO2)c1 ZINC000185595961 1035498293 /nfs/dbraw/zinc/49/82/93/1035498293.db2.gz VZQVBSOZTPUDPO-SFHVURJKSA-N 1 2 333.863 3.780 20 0 EHADLO Clc1cccc([C@@H]2C[N@@H+](CCCCCn3cccn3)CCO2)c1 ZINC000185595961 1035498296 /nfs/dbraw/zinc/49/82/96/1035498296.db2.gz VZQVBSOZTPUDPO-SFHVURJKSA-N 1 2 333.863 3.780 20 0 EHADLO CCCC[C@H](CCC)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431792466 1035508576 /nfs/dbraw/zinc/50/85/76/1035508576.db2.gz CQNWUAKORJCIGR-INIZCTEOSA-N 1 2 348.491 3.707 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784907 1035520815 /nfs/dbraw/zinc/52/08/15/1035520815.db2.gz PLOKMZPTWMIYRZ-SJORKVTESA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784907 1035520822 /nfs/dbraw/zinc/52/08/22/1035520822.db2.gz PLOKMZPTWMIYRZ-SJORKVTESA-N 1 2 343.471 3.604 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cs1 ZINC000534728123 1035529323 /nfs/dbraw/zinc/52/93/23/1035529323.db2.gz CTTMNUIOPBDVPD-UHFFFAOYSA-N 1 2 330.453 3.613 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2Cc3ccccc3C(C)(C)C2)cs1 ZINC000534728123 1035529327 /nfs/dbraw/zinc/52/93/27/1035529327.db2.gz CTTMNUIOPBDVPD-UHFFFAOYSA-N 1 2 330.453 3.613 20 0 EHADLO CCOc1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)ccc1OC ZINC000463490060 1035557521 /nfs/dbraw/zinc/55/75/21/1035557521.db2.gz LEFSVOFAUNGEJA-UHFFFAOYSA-N 1 2 345.830 3.668 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)s1 ZINC000414112367 1035568171 /nfs/dbraw/zinc/56/81/71/1035568171.db2.gz YCAQEUVKLXQTBH-HZMBPMFUSA-N 1 2 334.416 3.797 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173674985 1035569636 /nfs/dbraw/zinc/56/96/36/1035569636.db2.gz GPLGCNONYBOKCY-SJLPKXTDSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000456964746 1035576852 /nfs/dbraw/zinc/57/68/52/1035576852.db2.gz PVRLCLKMONWQOS-QGZVFWFLSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000456964746 1035576861 /nfs/dbraw/zinc/57/68/61/1035576861.db2.gz PVRLCLKMONWQOS-QGZVFWFLSA-N 1 2 339.483 3.913 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1nc(C(C)(C)C)cs1 ZINC000304956446 1035605728 /nfs/dbraw/zinc/60/57/28/1035605728.db2.gz ZLMVSSLOSAORHF-GFCCVEGCSA-N 1 2 344.484 3.631 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000456993627 1035609723 /nfs/dbraw/zinc/60/97/23/1035609723.db2.gz STOAUNCYSIXOLZ-VWFIUDSGSA-N 1 2 335.451 3.689 20 0 EHADLO Cc1noc(C)c1CCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000571731883 1035628852 /nfs/dbraw/zinc/62/88/52/1035628852.db2.gz CQLNWDVHDYGIFK-UHFFFAOYSA-N 1 2 335.329 3.935 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3C)c2C1 ZINC000186649312 1035677835 /nfs/dbraw/zinc/67/78/35/1035677835.db2.gz BKXAJKIOBXXWEM-UHFFFAOYSA-N 1 2 344.480 3.663 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3C)c2C1 ZINC000186649312 1035677840 /nfs/dbraw/zinc/67/78/40/1035677840.db2.gz BKXAJKIOBXXWEM-UHFFFAOYSA-N 1 2 344.480 3.663 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000431815701 1035686219 /nfs/dbraw/zinc/68/62/19/1035686219.db2.gz WVLMPTWNGGKROD-SAABIXHNSA-N 1 2 344.503 3.840 20 0 EHADLO C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1ccn(C)n1 ZINC000414136096 1035703116 /nfs/dbraw/zinc/70/31/16/1035703116.db2.gz HQLZMCRAZRISII-RNCFNFMXSA-N 1 2 338.274 3.680 20 0 EHADLO Cc1cc(OCC(=O)NCc2cccs2)c2cccc(C)c2[nH+]1 ZINC000540844918 1035728784 /nfs/dbraw/zinc/72/87/84/1035728784.db2.gz ZFLFBEUTEAIZAT-UHFFFAOYSA-N 1 2 326.421 3.608 20 0 EHADLO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2C1 ZINC000186887631 1035737595 /nfs/dbraw/zinc/73/75/95/1035737595.db2.gz BOFIOBFZMPPFCW-UHFFFAOYSA-N 1 2 346.377 3.894 20 0 EHADLO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2C1 ZINC000186887631 1035737610 /nfs/dbraw/zinc/73/76/10/1035737610.db2.gz BOFIOBFZMPPFCW-UHFFFAOYSA-N 1 2 346.377 3.894 20 0 EHADLO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012088 1035755654 /nfs/dbraw/zinc/75/56/54/1035755654.db2.gz CHDCXWCGWIJXGF-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012088 1035755673 /nfs/dbraw/zinc/75/56/73/1035755673.db2.gz CHDCXWCGWIJXGF-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3c(F)cccc32)s1 ZINC000414145189 1035762487 /nfs/dbraw/zinc/76/24/87/1035762487.db2.gz PBWZVWCSUKCLIV-YGRLFVJLSA-N 1 2 334.416 3.797 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2cc(-c3cccs3)on2)c(C)[nH+]1 ZINC000187158079 1035775595 /nfs/dbraw/zinc/77/55/95/1035775595.db2.gz LWXHDWLJLIUURK-JOCHJYFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187238667 1035800954 /nfs/dbraw/zinc/80/09/54/1035800954.db2.gz WVZIGHXSPQWPKF-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO CSc1cc(C)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000613422471 1035837342 /nfs/dbraw/zinc/83/73/42/1035837342.db2.gz BCNUVHRLAGFZQD-UHFFFAOYSA-N 1 2 347.484 3.839 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c(C)n1 ZINC000187533681 1035837774 /nfs/dbraw/zinc/83/77/74/1035837774.db2.gz KMWKQZALWMQGGT-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO C[C@H]1CC[C@]2(CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)C1 ZINC000540985983 1035880519 /nfs/dbraw/zinc/88/05/19/1035880519.db2.gz DUHXOZNZEWVJSR-JXFKEZNVSA-N 1 2 338.455 3.594 20 0 EHADLO CSCc1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000588249367 1035884561 /nfs/dbraw/zinc/88/45/61/1035884561.db2.gz KUTDZRRPMYRLQJ-UHFFFAOYSA-N 1 2 326.425 3.519 20 0 EHADLO Cc1ccc(/C=C/S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000055957117 1035887564 /nfs/dbraw/zinc/88/75/64/1035887564.db2.gz WKCFNRZTYFAFNL-JLHYYAGUSA-N 1 2 340.404 3.560 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000463868096 1035913137 /nfs/dbraw/zinc/91/31/37/1035913137.db2.gz PLYLODUAPYQTAE-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO COc1ccc(OC2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000613457076 1035916254 /nfs/dbraw/zinc/91/62/54/1035916254.db2.gz RROCYWFQKPZNRI-ZDUSSCGKSA-N 1 2 343.427 3.560 20 0 EHADLO Cc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(C)c[nH+]1 ZINC000535036013 1035917695 /nfs/dbraw/zinc/91/76/95/1035917695.db2.gz NCRVPUJYZNWOTE-UHFFFAOYSA-N 1 2 349.438 3.576 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000174316905 1035924608 /nfs/dbraw/zinc/92/46/08/1035924608.db2.gz LNYOYRZKGVVOBS-CYBMUJFWSA-N 1 2 341.361 3.684 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccccc2OCC(C)C)CC1 ZINC000588670735 1035932006 /nfs/dbraw/zinc/93/20/06/1035932006.db2.gz QCNBXCIFVCCBLO-UHFFFAOYSA-N 1 2 346.515 3.802 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000572056594 1035958843 /nfs/dbraw/zinc/95/88/43/1035958843.db2.gz UZGSAEFGSHAKNP-QWHCGFSZSA-N 1 2 331.847 3.994 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000572056594 1035958850 /nfs/dbraw/zinc/95/88/50/1035958850.db2.gz UZGSAEFGSHAKNP-QWHCGFSZSA-N 1 2 331.847 3.994 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2C)cs1)c1ccccc1F ZINC000174412105 1035960392 /nfs/dbraw/zinc/96/03/92/1035960392.db2.gz RBZOVTNSTGDIQA-LBPRGKRZSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2C)cs1)c1ccccc1F ZINC000174412105 1035960406 /nfs/dbraw/zinc/96/04/06/1035960406.db2.gz RBZOVTNSTGDIQA-LBPRGKRZSA-N 1 2 333.432 3.951 20 0 EHADLO C[C@@H](CC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000572004229 1035964666 /nfs/dbraw/zinc/96/46/66/1035964666.db2.gz CHOPBOWTTIFQRX-AWEZNQCLSA-N 1 2 349.837 3.975 20 0 EHADLO CCc1cc(N(Cc2ccccc2OC)C[C@H]2CCCO2)nc(C)[nH+]1 ZINC000541091006 1035974894 /nfs/dbraw/zinc/97/48/94/1035974894.db2.gz RQOVPLPFIFJOTK-GOSISDBHSA-N 1 2 341.455 3.542 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000535085860 1035980844 /nfs/dbraw/zinc/98/08/44/1035980844.db2.gz VLCPETMOCUMZFW-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1 ZINC000535068365 1035987170 /nfs/dbraw/zinc/98/71/70/1035987170.db2.gz GDDZBINLBMIJDI-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000535071483 1035991871 /nfs/dbraw/zinc/99/18/71/1035991871.db2.gz FPJOSKABWOFXSK-UHFFFAOYSA-N 1 2 333.888 3.996 20 0 EHADLO Cc1cccc([C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)c1 ZINC000572124144 1036007530 /nfs/dbraw/zinc/00/75/30/1036007530.db2.gz JOFZACLVTLJLBT-DOMZBBRYSA-N 1 2 325.334 3.562 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189108580 1036039635 /nfs/dbraw/zinc/03/96/35/1036039635.db2.gz OVDYNEKNBOVKFV-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189108580 1036039654 /nfs/dbraw/zinc/03/96/54/1036039654.db2.gz OVDYNEKNBOVKFV-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccccc3Br)CC2)cc[nH+]1 ZINC000189108770 1036040024 /nfs/dbraw/zinc/04/00/24/1036040024.db2.gz OEJDOMTYVLHYDS-UHFFFAOYSA-N 1 2 331.213 3.823 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2nccn21 ZINC000572211168 1036042941 /nfs/dbraw/zinc/04/29/41/1036042941.db2.gz OPRSNRCEUIAHNL-QAPCUYQASA-N 1 2 334.423 3.653 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000613486001 1036048194 /nfs/dbraw/zinc/04/81/94/1036048194.db2.gz KGTROAUPFWUTOH-HNNXBMFYSA-N 1 2 330.859 3.991 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000613486001 1036048216 /nfs/dbraw/zinc/04/82/16/1036048216.db2.gz KGTROAUPFWUTOH-HNNXBMFYSA-N 1 2 330.859 3.991 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491308947 1036049477 /nfs/dbraw/zinc/04/94/77/1036049477.db2.gz UWJXJINISVNXOI-LJQANCHMSA-N 1 2 348.849 3.993 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164239 1036052978 /nfs/dbraw/zinc/05/29/78/1036052978.db2.gz JHDCIGJNMIMVKT-PBHICJAKSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164239 1036052997 /nfs/dbraw/zinc/05/29/97/1036052997.db2.gz JHDCIGJNMIMVKT-PBHICJAKSA-N 1 2 342.405 3.792 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189380121 1036062381 /nfs/dbraw/zinc/06/23/81/1036062381.db2.gz HXMNVSLGTVGICQ-UHFFFAOYSA-N 1 2 347.418 3.593 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1)NCC(F)(F)F ZINC000541201665 1036073909 /nfs/dbraw/zinc/07/39/09/1036073909.db2.gz UGCZQCQKXGBRMI-GWJCSSMESA-N 1 2 346.418 3.684 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1)NCC(F)(F)F ZINC000541201665 1036073926 /nfs/dbraw/zinc/07/39/26/1036073926.db2.gz UGCZQCQKXGBRMI-GWJCSSMESA-N 1 2 346.418 3.684 20 0 EHADLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000163370409 1036076594 /nfs/dbraw/zinc/07/65/94/1036076594.db2.gz WDYOSPMNOUXIOR-DLBZAZTESA-N 1 2 337.448 3.662 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000174747049 1036090462 /nfs/dbraw/zinc/09/04/62/1036090462.db2.gz ZRCPPWGTNAWCKX-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO CCn1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)n1 ZINC000414214748 1036101058 /nfs/dbraw/zinc/10/10/58/1036101058.db2.gz WSSSHVITTVIFAE-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO Cc1cc(/C=C\C(=O)N(C)CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000492626566 1036109389 /nfs/dbraw/zinc/10/93/89/1036109389.db2.gz YOZBLPDTOBEOGD-CLFYSBASSA-N 1 2 341.455 3.541 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(F)c1 ZINC000170708799 1036119185 /nfs/dbraw/zinc/11/91/85/1036119185.db2.gz ULMSWZXMGQDRNP-UHFFFAOYSA-N 1 2 340.320 3.704 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(F)c1 ZINC000170708799 1036119200 /nfs/dbraw/zinc/11/92/00/1036119200.db2.gz ULMSWZXMGQDRNP-UHFFFAOYSA-N 1 2 340.320 3.704 20 0 EHADLO CCN(CC)[C@@H](C[NH2+]Cc1nnc(C(C)C)s1)c1ccsc1 ZINC000892564176 1036123095 /nfs/dbraw/zinc/12/30/95/1036123095.db2.gz PJMAICVCWDSGMM-AWEZNQCLSA-N 1 2 338.546 3.896 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000457469623 1036134123 /nfs/dbraw/zinc/13/41/23/1036134123.db2.gz VXMVSQKWFPYJJH-BZUAXINKSA-N 1 2 330.472 3.671 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)nc(N)c2c1C ZINC000321697353 1036173575 /nfs/dbraw/zinc/17/35/75/1036173575.db2.gz SSDFMYVHFPZLBM-JTQLQIEISA-N 1 2 344.406 3.665 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)nc(N)c2c1C ZINC000321697353 1036173585 /nfs/dbraw/zinc/17/35/85/1036173585.db2.gz SSDFMYVHFPZLBM-JTQLQIEISA-N 1 2 344.406 3.665 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000175164635 1036260989 /nfs/dbraw/zinc/26/09/89/1036260989.db2.gz WKJWHPZXAOVHIM-KRWDZBQOSA-N 1 2 349.434 3.612 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000175164635 1036261006 /nfs/dbraw/zinc/26/10/06/1036261006.db2.gz WKJWHPZXAOVHIM-KRWDZBQOSA-N 1 2 349.434 3.612 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccn3C)o2)c(C)o1 ZINC000589302717 1036331632 /nfs/dbraw/zinc/33/16/32/1036331632.db2.gz OYDSRBSKESDXTB-MRXNPFEDSA-N 1 2 326.400 3.622 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccn3C)o2)c(C)o1 ZINC000589302717 1036331647 /nfs/dbraw/zinc/33/16/47/1036331647.db2.gz OYDSRBSKESDXTB-MRXNPFEDSA-N 1 2 326.400 3.622 20 0 EHADLO Cc1ccc(Br)c(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000414265146 1036338836 /nfs/dbraw/zinc/33/88/36/1036338836.db2.gz QWLSNKVZYDEHLH-HNNXBMFYSA-N 1 2 334.261 3.732 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(F)c(Cl)c1 ZINC000464350349 1036361453 /nfs/dbraw/zinc/36/14/53/1036361453.db2.gz BFLBJYSCEKWTIY-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C2CCC2)c(C)c1 ZINC000457675990 1036382132 /nfs/dbraw/zinc/38/21/32/1036382132.db2.gz XTCNZBRYYNREDO-VQIMIIECSA-N 1 2 325.456 3.794 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC000414273980 1036385866 /nfs/dbraw/zinc/38/58/66/1036385866.db2.gz UKPOIIXHIWWKKV-HNNXBMFYSA-N 1 2 349.360 3.630 20 0 EHADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000669968647 1036386068 /nfs/dbraw/zinc/38/60/68/1036386068.db2.gz JBRIPVNLVGHWBM-AWEZNQCLSA-N 1 2 335.407 3.915 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131427 1036402598 /nfs/dbraw/zinc/40/25/98/1036402598.db2.gz POIVTBXVEDOABG-MRXNPFEDSA-N 1 2 349.887 3.633 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457695454 1036406545 /nfs/dbraw/zinc/40/65/45/1036406545.db2.gz SQTIXJOTLZDFPS-FUEDEBDSSA-N 1 2 346.368 3.508 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457695454 1036406555 /nfs/dbraw/zinc/40/65/55/1036406555.db2.gz SQTIXJOTLZDFPS-FUEDEBDSSA-N 1 2 346.368 3.508 20 0 EHADLO CCOc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000056702107 1036434154 /nfs/dbraw/zinc/43/41/54/1036434154.db2.gz PEUZLSBRSAQYRU-MRXNPFEDSA-N 1 2 348.422 3.657 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)ccn12 ZINC000572660649 1036449404 /nfs/dbraw/zinc/44/94/04/1036449404.db2.gz NYAQCENWQQCTAU-GUYCJALGSA-N 1 2 337.398 3.800 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c(C)c[nH+]1 ZINC000572677933 1036455068 /nfs/dbraw/zinc/45/50/68/1036455068.db2.gz WJQKUTNEPXIPAL-RDJZCZTQSA-N 1 2 327.403 3.717 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000192108214 1036475444 /nfs/dbraw/zinc/47/54/44/1036475444.db2.gz YCWUKIVYMZAEEE-CQSZACIVSA-N 1 2 348.454 3.648 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000192108214 1036475452 /nfs/dbraw/zinc/47/54/52/1036475452.db2.gz YCWUKIVYMZAEEE-CQSZACIVSA-N 1 2 348.454 3.648 20 0 EHADLO O=C(CCCn1cc[nH+]c1)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC000157110239 1036501564 /nfs/dbraw/zinc/50/15/64/1036501564.db2.gz FEWZDWCCNIUAJS-LJQANCHMSA-N 1 2 340.423 3.683 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000414292280 1036501861 /nfs/dbraw/zinc/50/18/61/1036501861.db2.gz BYAAQCSUZIKSKX-CHWSQXEVSA-N 1 2 347.488 3.824 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(C(C)C)nc1C ZINC000572812127 1036504876 /nfs/dbraw/zinc/50/48/76/1036504876.db2.gz IRGIPEMHJBXMDW-UHFFFAOYSA-N 1 2 348.516 3.886 20 0 EHADLO CC(C)C[C@@]1(C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457787343 1036514715 /nfs/dbraw/zinc/51/47/15/1036514715.db2.gz NKFYPMVFXZPYBI-HXUWFJFHSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1cc(C)cc(CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000669334906 1036525381 /nfs/dbraw/zinc/52/53/81/1036525381.db2.gz NDSBVWCNIRWQJH-FQEVSTJZSA-N 1 2 347.462 3.680 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC000669334529 1036528929 /nfs/dbraw/zinc/52/89/29/1036528929.db2.gz HULWGHBYYBGOKK-GOSISDBHSA-N 1 2 337.467 3.791 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1csnn1 ZINC000414304646 1036570008 /nfs/dbraw/zinc/57/00/08/1036570008.db2.gz PBKBXTZQWLLGDF-WRWORJQWSA-N 1 2 342.237 3.778 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Br)cc3cccnc32)o1 ZINC000541685516 1036571933 /nfs/dbraw/zinc/57/19/33/1036571933.db2.gz QWURTOOVXTZUKK-VIFPVBQESA-N 1 2 347.216 3.540 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457876933 1036601582 /nfs/dbraw/zinc/60/15/82/1036601582.db2.gz UPYAFMZYYOJAQV-RYZJOYRSSA-N 1 2 331.504 3.712 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2ccsc2)no1 ZINC000302736219 1036697504 /nfs/dbraw/zinc/69/75/04/1036697504.db2.gz DPKYUFIHTPFJBT-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2ccsc2)no1 ZINC000302736219 1036697515 /nfs/dbraw/zinc/69/75/15/1036697515.db2.gz DPKYUFIHTPFJBT-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO COc1ccccc1[C@H]([NH2+]C[C@@H](O)C(F)F)c1ccccc1Cl ZINC000493104833 1036699975 /nfs/dbraw/zinc/69/99/75/1036699975.db2.gz OGJLFGTZNZULFZ-GDBMZVCRSA-N 1 2 341.785 3.654 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000170717093 1036700457 /nfs/dbraw/zinc/70/04/57/1036700457.db2.gz QXEKNCMMNDBAHP-NSHDSACASA-N 1 2 329.297 3.650 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000170717093 1036700476 /nfs/dbraw/zinc/70/04/76/1036700476.db2.gz QXEKNCMMNDBAHP-NSHDSACASA-N 1 2 329.297 3.650 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589989096 1036706069 /nfs/dbraw/zinc/70/60/69/1036706069.db2.gz WTJJHLXVWFTDMF-UHFFFAOYSA-N 1 2 346.386 3.777 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000170773286 1036719098 /nfs/dbraw/zinc/71/90/98/1036719098.db2.gz IXGYYTADRNWWRG-MRXNPFEDSA-N 1 2 332.488 3.983 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000170773286 1036719112 /nfs/dbraw/zinc/71/91/12/1036719112.db2.gz IXGYYTADRNWWRG-MRXNPFEDSA-N 1 2 332.488 3.983 20 0 EHADLO CCC1(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000457980870 1036725296 /nfs/dbraw/zinc/72/52/96/1036725296.db2.gz WCRDQPWBZPWBBD-UHFFFAOYSA-N 1 2 330.407 3.533 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2ccccc2)no1 ZINC000302809878 1036750593 /nfs/dbraw/zinc/75/05/93/1036750593.db2.gz UGSHUKOALMKAHY-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2ccccc2)no1 ZINC000302809878 1036750607 /nfs/dbraw/zinc/75/06/07/1036750607.db2.gz UGSHUKOALMKAHY-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO CCC[N@H+](Cc1nc(C(=O)OCC)cs1)Cc1ccc(OC)cc1 ZINC000590108223 1036759248 /nfs/dbraw/zinc/75/92/48/1036759248.db2.gz QXKLYLPFWANGNE-UHFFFAOYSA-N 1 2 348.468 3.741 20 0 EHADLO CCC[N@@H+](Cc1nc(C(=O)OCC)cs1)Cc1ccc(OC)cc1 ZINC000590108223 1036759262 /nfs/dbraw/zinc/75/92/62/1036759262.db2.gz QXKLYLPFWANGNE-UHFFFAOYSA-N 1 2 348.468 3.741 20 0 EHADLO c1cn(Cc2cccc(-c3nc(COCc4ccccc4)no3)c2)c[nH+]1 ZINC000346291708 1036764986 /nfs/dbraw/zinc/76/49/86/1036764986.db2.gz GWNCZQAVPPMSRY-UHFFFAOYSA-N 1 2 346.390 3.698 20 0 EHADLO NC(=O)[C@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)c1ccccc1 ZINC000134303664 1036771695 /nfs/dbraw/zinc/77/16/95/1036771695.db2.gz BEWBQCWCKDXOGC-GDBMZVCRSA-N 1 2 335.234 3.797 20 0 EHADLO Cc1ccc(CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000590150578 1036775501 /nfs/dbraw/zinc/77/55/01/1036775501.db2.gz ZXBUJBZMRDPUKN-GOSISDBHSA-N 1 2 340.471 3.548 20 0 EHADLO CCn1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)nc2c1cccc2F ZINC000103139071 1036824826 /nfs/dbraw/zinc/82/48/26/1036824826.db2.gz IEYNWHUYFOIGLS-UHFFFAOYSA-N 1 2 341.386 3.556 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)nc2c1cccc2F ZINC000103139071 1036824843 /nfs/dbraw/zinc/82/48/43/1036824843.db2.gz IEYNWHUYFOIGLS-UHFFFAOYSA-N 1 2 341.386 3.556 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000464817228 1036829620 /nfs/dbraw/zinc/82/96/20/1036829620.db2.gz GHZRTJCRPUZENY-WBVHZDCISA-N 1 2 342.439 3.772 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc2ccccc2o1 ZINC000464817228 1036829641 /nfs/dbraw/zinc/82/96/41/1036829641.db2.gz GHZRTJCRPUZENY-WBVHZDCISA-N 1 2 342.439 3.772 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162284894 1036838491 /nfs/dbraw/zinc/83/84/91/1036838491.db2.gz ULCGREFRGXIJSU-KBPBESRZSA-N 1 2 336.505 3.594 20 0 EHADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000590348132 1036847493 /nfs/dbraw/zinc/84/74/93/1036847493.db2.gz GRPKGCVOPVXHPC-INIZCTEOSA-N 1 2 340.471 3.549 20 0 EHADLO C[C@@](CO)([NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000237656400 1036852308 /nfs/dbraw/zinc/85/23/08/1036852308.db2.gz ZHXXXHVYMYVBLF-KRWDZBQOSA-N 1 2 330.478 3.869 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000590381824 1036860869 /nfs/dbraw/zinc/86/08/69/1036860869.db2.gz JPVLXXVMNOAQMW-GHTZIAJQSA-N 1 2 343.467 3.785 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000590381824 1036860887 /nfs/dbraw/zinc/86/08/87/1036860887.db2.gz JPVLXXVMNOAQMW-GHTZIAJQSA-N 1 2 343.467 3.785 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000493196427 1036869103 /nfs/dbraw/zinc/86/91/03/1036869103.db2.gz XFIZZRNQPRDORX-VOTSOKGWSA-N 1 2 331.803 3.894 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1CC1CCCCC1 ZINC000064226167 1036897101 /nfs/dbraw/zinc/89/71/01/1036897101.db2.gz LPMXUIRLVNHQIG-SFHVURJKSA-N 1 2 332.492 3.808 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000177781235 1036931884 /nfs/dbraw/zinc/93/18/84/1036931884.db2.gz UOKSDCLBZIXFKZ-IBGZPJMESA-N 1 2 348.450 3.814 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000541984573 1036948418 /nfs/dbraw/zinc/94/84/18/1036948418.db2.gz PAARXWPBWOLZBA-SFHVURJKSA-N 1 2 326.371 3.612 20 0 EHADLO C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1noc(Cc2ccccc2)n1 ZINC000493230739 1036951231 /nfs/dbraw/zinc/95/12/31/1036951231.db2.gz PJEYXHSCVIDRHB-JEYLPNPQSA-N 1 2 329.444 3.657 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[S@]1=O ZINC000590649913 1036989803 /nfs/dbraw/zinc/98/98/03/1036989803.db2.gz DAVMISFHZFSUKR-JOCHJYFZSA-N 1 2 340.876 3.604 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[S@]1=O ZINC000590649913 1036989814 /nfs/dbraw/zinc/98/98/14/1036989814.db2.gz DAVMISFHZFSUKR-JOCHJYFZSA-N 1 2 340.876 3.604 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000176530521 1037024090 /nfs/dbraw/zinc/02/40/90/1037024090.db2.gz PQSUWPFXCBAWNO-NSCUHMNNSA-N 1 2 345.446 3.960 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590734110 1037035124 /nfs/dbraw/zinc/03/51/24/1037035124.db2.gz YPMZDYPFDAOKQS-MRXNPFEDSA-N 1 2 331.847 3.641 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3C)no2)cc1C ZINC000590787331 1037050764 /nfs/dbraw/zinc/05/07/64/1037050764.db2.gz KAVGJCMVYUSLPI-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3C)no2)cc1C ZINC000590787331 1037050785 /nfs/dbraw/zinc/05/07/85/1037050785.db2.gz KAVGJCMVYUSLPI-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO CO[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000666455608 1037071584 /nfs/dbraw/zinc/07/15/84/1037071584.db2.gz UKYCPGLCYQPVMX-MAUKXSAKSA-N 1 2 339.439 3.640 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542115071 1037073378 /nfs/dbraw/zinc/07/33/78/1037073378.db2.gz XAFNVEKJPKOCHX-IRXDYDNUSA-N 1 2 334.508 3.910 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590845441 1037080673 /nfs/dbraw/zinc/08/06/73/1037080673.db2.gz NONJJMCEGPQTFL-ZIAGYGMSSA-N 1 2 332.835 3.644 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590860070 1037103131 /nfs/dbraw/zinc/10/31/31/1037103131.db2.gz LWQSRDCDTIFWKV-SUMWQHHRSA-N 1 2 344.846 3.571 20 0 EHADLO CC(NC(=O)CCCn1cc[nH+]c1)(c1ccccc1)c1ccccc1 ZINC000590899535 1037130689 /nfs/dbraw/zinc/13/06/89/1037130689.db2.gz GVMNTVFZLZLLCA-UHFFFAOYSA-N 1 2 333.435 3.743 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105163878 1037150152 /nfs/dbraw/zinc/15/01/52/1037150152.db2.gz YSCWQQGXYRRQFD-INIZCTEOSA-N 1 2 326.444 3.643 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc(F)cc1 ZINC000573002996 1037153002 /nfs/dbraw/zinc/15/30/02/1037153002.db2.gz XZQUVSNYPMNGMJ-IBGZPJMESA-N 1 2 338.382 3.681 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000591053310 1037201926 /nfs/dbraw/zinc/20/19/26/1037201926.db2.gz JBLQQAMAPBFMLV-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000591027666 1037208526 /nfs/dbraw/zinc/20/85/26/1037208526.db2.gz XQRQPUHTIRRAIX-GOSISDBHSA-N 1 2 344.434 3.643 20 0 EHADLO Cc1nc2ccc(-c3noc(C[C@H](C)n4cc[nH+]c4)n3)cc2s1 ZINC000351413032 1037209000 /nfs/dbraw/zinc/20/90/00/1037209000.db2.gz DDIMFNVKGDFIRT-JTQLQIEISA-N 1 2 325.397 3.655 20 0 EHADLO CCc1ccc(CCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000493305069 1037209419 /nfs/dbraw/zinc/20/94/19/1037209419.db2.gz YJGRTFJBVYSBJW-UHFFFAOYSA-N 1 2 342.508 3.588 20 0 EHADLO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493283331 1037217482 /nfs/dbraw/zinc/21/74/82/1037217482.db2.gz HHNOTCQHQGXVOM-GUOLPTJISA-N 1 2 337.345 3.531 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2noc(C3CCCCC3)n2)c(C)[nH+]1 ZINC000187173035 1037236234 /nfs/dbraw/zinc/23/62/34/1037236234.db2.gz BAPLEDTTWGYJEQ-QHCPKHFHSA-N 1 2 333.457 3.578 20 0 EHADLO CCOc1cccc(C[N@H+](C)Cc2cnn(CC)c2)c1OC(F)F ZINC000539829279 1037256602 /nfs/dbraw/zinc/25/66/02/1037256602.db2.gz ZODZMDJHXMZKDH-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO CCOc1cccc(C[N@@H+](C)Cc2cnn(CC)c2)c1OC(F)F ZINC000539829279 1037256607 /nfs/dbraw/zinc/25/66/07/1037256607.db2.gz ZODZMDJHXMZKDH-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO Cc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591249484 1037269906 /nfs/dbraw/zinc/26/99/06/1037269906.db2.gz RQMIFXXKACEOCB-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)cc2)s1 ZINC000591241176 1037285918 /nfs/dbraw/zinc/28/59/18/1037285918.db2.gz HZKUPUKXIWDZRE-LBPRGKRZSA-N 1 2 348.468 3.958 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000660005032 1037289068 /nfs/dbraw/zinc/28/90/68/1037289068.db2.gz LJMVPOQGZCSKKT-MRXNPFEDSA-N 1 2 335.494 3.922 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000660005032 1037289085 /nfs/dbraw/zinc/28/90/85/1037289085.db2.gz LJMVPOQGZCSKKT-MRXNPFEDSA-N 1 2 335.494 3.922 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395925 1037320694 /nfs/dbraw/zinc/32/06/94/1037320694.db2.gz LBDSEZZWPBXWKY-ZBFHGGJFSA-N 1 2 349.521 3.605 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395925 1037320713 /nfs/dbraw/zinc/32/07/13/1037320713.db2.gz LBDSEZZWPBXWKY-ZBFHGGJFSA-N 1 2 349.521 3.605 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC1CCC(C(F)F)CC1 ZINC000493435377 1037366017 /nfs/dbraw/zinc/36/60/17/1037366017.db2.gz QWRDLRHYDKMGAC-XCVCLJGOSA-N 1 2 345.393 3.826 20 0 EHADLO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414404235 1037394457 /nfs/dbraw/zinc/39/44/57/1037394457.db2.gz HTOOBSUARHKVMN-AWEZNQCLSA-N 1 2 329.531 3.942 20 0 EHADLO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414404235 1037394472 /nfs/dbraw/zinc/39/44/72/1037394472.db2.gz HTOOBSUARHKVMN-AWEZNQCLSA-N 1 2 329.531 3.942 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1 ZINC000646118519 1037416758 /nfs/dbraw/zinc/41/67/58/1037416758.db2.gz LPDBYUHTGWCVFE-RHSMWYFYSA-N 1 2 325.412 3.670 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1 ZINC000646118519 1037416770 /nfs/dbraw/zinc/41/67/70/1037416770.db2.gz LPDBYUHTGWCVFE-RHSMWYFYSA-N 1 2 325.412 3.670 20 0 EHADLO CCOc1cc(C)ccc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000573282923 1037421304 /nfs/dbraw/zinc/42/13/04/1037421304.db2.gz UNGRRNPMVHPHKJ-UHFFFAOYSA-N 1 2 336.439 3.573 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1c1ccccc1 ZINC000540036397 1037503919 /nfs/dbraw/zinc/50/39/19/1037503919.db2.gz DAUBHEQLDHKKPG-APWZRJJASA-N 1 2 346.434 3.533 20 0 EHADLO C[C@H]1CCCN(c2cc(N(C)Cc3cccc4[nH]ccc43)nc[nH+]2)C1 ZINC000493606936 1037510415 /nfs/dbraw/zinc/51/04/15/1037510415.db2.gz RYVDICQTFHJVLG-HNNXBMFYSA-N 1 2 335.455 3.831 20 0 EHADLO C[C@H]1CCCN(c2cc(N(C)Cc3cccc4[nH]ccc43)[nH+]cn2)C1 ZINC000493606936 1037510421 /nfs/dbraw/zinc/51/04/21/1037510421.db2.gz RYVDICQTFHJVLG-HNNXBMFYSA-N 1 2 335.455 3.831 20 0 EHADLO CCC1CCC(CNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000591577570 1037516624 /nfs/dbraw/zinc/51/66/24/1037516624.db2.gz MGDYSHISFZZWOO-UHFFFAOYSA-N 1 2 332.492 3.789 20 0 EHADLO Cn1c(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)nnc1C1CCC1 ZINC000376540245 1037524428 /nfs/dbraw/zinc/52/44/28/1037524428.db2.gz OUHHLMBDUOUEFD-UHFFFAOYSA-N 1 2 346.425 3.740 20 0 EHADLO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000532504116 1037531373 /nfs/dbraw/zinc/53/13/73/1037531373.db2.gz UMBMHFYVNDDNQZ-LBPRGKRZSA-N 1 2 326.625 3.603 20 0 EHADLO Cc1csc([C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000613545176 1037534758 /nfs/dbraw/zinc/53/47/58/1037534758.db2.gz MPQGICYHMNNBPW-KBPBESRZSA-N 1 2 349.525 3.522 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc2c(cn1)CCCC2)c1cccc(Cl)c1 ZINC000462984749 1037600244 /nfs/dbraw/zinc/60/02/44/1037600244.db2.gz BWHWVAUWWVHDFT-GOSISDBHSA-N 1 2 343.858 3.855 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000303636673 1037624720 /nfs/dbraw/zinc/62/47/20/1037624720.db2.gz RHQQGYKWPADDLY-HXUWFJFHSA-N 1 2 344.405 3.957 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000303636673 1037624730 /nfs/dbraw/zinc/62/47/30/1037624730.db2.gz RHQQGYKWPADDLY-HXUWFJFHSA-N 1 2 344.405 3.957 20 0 EHADLO COC(=O)C[C@@H]1CC[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@H]1C ZINC000463004988 1037633726 /nfs/dbraw/zinc/63/37/26/1037633726.db2.gz BXWFYVPNIWATKI-IYJAJMOOSA-N 1 2 341.455 3.879 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493805958 1037644718 /nfs/dbraw/zinc/64/47/18/1037644718.db2.gz VYJYVCLLNCPDQU-KTKRTIGZSA-N 1 2 327.428 3.509 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)n2)cc1 ZINC000591810710 1037652411 /nfs/dbraw/zinc/65/24/11/1037652411.db2.gz IHVBBXQPUXKFRR-IBGZPJMESA-N 1 2 349.434 3.624 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)n2)cc1 ZINC000591810710 1037652424 /nfs/dbraw/zinc/65/24/24/1037652424.db2.gz IHVBBXQPUXKFRR-IBGZPJMESA-N 1 2 349.434 3.624 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000463028845 1037684538 /nfs/dbraw/zinc/68/45/38/1037684538.db2.gz PNPTYHQVVJHKAC-HNNXBMFYSA-N 1 2 335.444 3.792 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000463028845 1037684550 /nfs/dbraw/zinc/68/45/50/1037684550.db2.gz PNPTYHQVVJHKAC-HNNXBMFYSA-N 1 2 335.444 3.792 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000463029601 1037686428 /nfs/dbraw/zinc/68/64/28/1037686428.db2.gz AFTONFYQKYXLSA-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO Cc1nc(Cl)c(C[N@H+](C)C[C@H]2CCCCO2)cc1Br ZINC001233467819 1037696398 /nfs/dbraw/zinc/69/63/98/1037696398.db2.gz UOTHZUUABXVABW-GFCCVEGCSA-N 1 2 347.684 3.807 20 0 EHADLO Cc1nc(Cl)c(C[N@@H+](C)C[C@H]2CCCCO2)cc1Br ZINC001233467819 1037696410 /nfs/dbraw/zinc/69/64/10/1037696410.db2.gz UOTHZUUABXVABW-GFCCVEGCSA-N 1 2 347.684 3.807 20 0 EHADLO Fc1ccc(OCCCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000172886203 1037721454 /nfs/dbraw/zinc/72/14/54/1037721454.db2.gz BRYFLJVXIKYQNJ-UHFFFAOYSA-N 1 2 344.430 3.539 20 0 EHADLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727701 1037734055 /nfs/dbraw/zinc/73/40/55/1037734055.db2.gz XDVNCSWSMFXPEX-CXAGYDPISA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727701 1037734076 /nfs/dbraw/zinc/73/40/76/1037734076.db2.gz XDVNCSWSMFXPEX-CXAGYDPISA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)nn2)CC2(CCCC2)O1 ZINC000646134805 1037738763 /nfs/dbraw/zinc/73/87/63/1037738763.db2.gz RSTORKXGDGKARV-MRXNPFEDSA-N 1 2 339.439 3.802 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)CC2(CCCC2)O1 ZINC000646134805 1037738779 /nfs/dbraw/zinc/73/87/79/1037738779.db2.gz RSTORKXGDGKARV-MRXNPFEDSA-N 1 2 339.439 3.802 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000494039622 1037811059 /nfs/dbraw/zinc/81/10/59/1037811059.db2.gz URWUUSUBMHXLFU-UHFFFAOYSA-N 1 2 340.757 3.600 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000494039622 1037811080 /nfs/dbraw/zinc/81/10/80/1037811080.db2.gz URWUUSUBMHXLFU-UHFFFAOYSA-N 1 2 340.757 3.600 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000540349547 1037833636 /nfs/dbraw/zinc/83/36/36/1037833636.db2.gz YGAKPIABRWMDAH-PXNSSMCTSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000540349547 1037833646 /nfs/dbraw/zinc/83/36/46/1037833646.db2.gz YGAKPIABRWMDAH-PXNSSMCTSA-N 1 2 343.492 3.852 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000152535233 1037851263 /nfs/dbraw/zinc/85/12/63/1037851263.db2.gz PJCNYPJJBOAEFN-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000152535233 1037851288 /nfs/dbraw/zinc/85/12/88/1037851288.db2.gz PJCNYPJJBOAEFN-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1csc(C3CCCCC3)n1)CC2 ZINC000494134651 1037858274 /nfs/dbraw/zinc/85/82/74/1037858274.db2.gz FXAJUJSRGLDDDF-UHFFFAOYSA-N 1 2 329.469 3.850 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1csc(C3CCCCC3)n1)CC2 ZINC000494134651 1037858294 /nfs/dbraw/zinc/85/82/94/1037858294.db2.gz FXAJUJSRGLDDDF-UHFFFAOYSA-N 1 2 329.469 3.850 20 0 EHADLO Cn1cnc2cc(C[NH2+]C(C)(C)c3cc(C(F)(F)F)on3)ccc21 ZINC000492022047 1037877433 /nfs/dbraw/zinc/87/74/33/1037877433.db2.gz HLCARILORTUUHL-UHFFFAOYSA-N 1 2 338.333 3.605 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(SC(F)(F)F)cc1 ZINC000492040683 1037916491 /nfs/dbraw/zinc/91/64/91/1037916491.db2.gz MFMZQRRHDFUYPY-QPJJXVBHSA-N 1 2 341.358 3.660 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1coc(-c2ccccc2)n1 ZINC000463250629 1037938877 /nfs/dbraw/zinc/93/88/77/1037938877.db2.gz PWWBRXGOCZTZKY-UHFFFAOYSA-N 1 2 336.370 3.884 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H](C)O1 ZINC000666647831 1037966158 /nfs/dbraw/zinc/96/61/58/1037966158.db2.gz POWIPEKTOVCKGU-RTYCURFASA-N 1 2 342.483 3.671 20 0 EHADLO CC(C)(CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)CC(F)(F)F ZINC000913817230 1037971536 /nfs/dbraw/zinc/97/15/36/1037971536.db2.gz LYEZFAOQFLNCIC-CQSZACIVSA-N 1 2 346.368 3.667 20 0 EHADLO Cc1c[nH+]c(CCSCc2cc(-c3cnn(C)c3)no2)c(C)c1 ZINC000592454639 1037987510 /nfs/dbraw/zinc/98/75/10/1037987510.db2.gz IATGGXBLVJLRII-UHFFFAOYSA-N 1 2 328.441 3.563 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000540491438 1038010454 /nfs/dbraw/zinc/01/04/54/1038010454.db2.gz KNJPRQGITQGHIG-RDJZCZTQSA-N 1 2 329.350 3.794 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC12CCCCC2 ZINC000463309256 1038012024 /nfs/dbraw/zinc/01/20/24/1038012024.db2.gz OYUVNRUPSJUSLG-INIZCTEOSA-N 1 2 340.471 3.836 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000123659756 1038053660 /nfs/dbraw/zinc/05/36/60/1038053660.db2.gz SUWFYEQIQPGENI-KBXCAEBGSA-N 1 2 347.409 3.594 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3F)cn2c1 ZINC000041294153 1038080645 /nfs/dbraw/zinc/08/06/45/1038080645.db2.gz KGJZLQRCHFDBKV-UHFFFAOYSA-N 1 2 329.400 3.654 20 0 EHADLO C[N@@H+]1CC[C@H](Nc2nnc(C(F)F)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000278823568 1038102094 /nfs/dbraw/zinc/10/20/94/1038102094.db2.gz UEOGHQKHCWANHM-WDEREUQCSA-N 1 2 346.353 3.611 20 0 EHADLO C[N@H+]1CC[C@H](Nc2nnc(C(F)F)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000278823568 1038102106 /nfs/dbraw/zinc/10/21/06/1038102106.db2.gz UEOGHQKHCWANHM-WDEREUQCSA-N 1 2 346.353 3.611 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1nccs1 ZINC000491295231 1038111363 /nfs/dbraw/zinc/11/13/63/1038111363.db2.gz KAXRZZLSFVADRH-OAHLLOKOSA-N 1 2 340.452 3.850 20 0 EHADLO COCC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccco1 ZINC000124061917 1038130238 /nfs/dbraw/zinc/13/02/38/1038130238.db2.gz SOMDVWZYAYFLOB-UHFFFAOYSA-N 1 2 345.830 3.767 20 0 EHADLO COCC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccco1 ZINC000124061917 1038130242 /nfs/dbraw/zinc/13/02/42/1038130242.db2.gz SOMDVWZYAYFLOB-UHFFFAOYSA-N 1 2 345.830 3.767 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000124446077 1038188285 /nfs/dbraw/zinc/18/82/85/1038188285.db2.gz LMENXXBGIKAKMV-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc(F)ccc2F)s1 ZINC000106877558 1038238537 /nfs/dbraw/zinc/23/85/37/1038238537.db2.gz YWOPEYYWMXOEOQ-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc(F)ccc2F)s1 ZINC000106877558 1038238549 /nfs/dbraw/zinc/23/85/49/1038238549.db2.gz YWOPEYYWMXOEOQ-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(C(F)(F)F)CCCC1 ZINC000416151452 1038240656 /nfs/dbraw/zinc/24/06/56/1038240656.db2.gz QHIROCSWNUIHLX-UHFFFAOYSA-N 1 2 329.366 3.513 20 0 EHADLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000472951498 1038347781 /nfs/dbraw/zinc/34/77/81/1038347781.db2.gz MROLGKQPWQGJPN-OAHLLOKOSA-N 1 2 331.456 3.905 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000378276058 1038365538 /nfs/dbraw/zinc/36/55/38/1038365538.db2.gz IRBBBYOUWHKDAL-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)COc1ccc(Cl)cc1Cl ZINC000398084324 1038415799 /nfs/dbraw/zinc/41/57/99/1038415799.db2.gz SVUXYLNHFKVNIW-MFKMUULPSA-N 1 2 340.197 3.511 20 0 EHADLO c1ccc([C@H]2COCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000378344324 1038485393 /nfs/dbraw/zinc/48/53/93/1038485393.db2.gz ZTENUBNKYBZCCK-HXUWFJFHSA-N 1 2 347.418 3.842 20 0 EHADLO c1ccc([C@H]2COCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000378344324 1038485396 /nfs/dbraw/zinc/48/53/96/1038485396.db2.gz ZTENUBNKYBZCCK-HXUWFJFHSA-N 1 2 347.418 3.842 20 0 EHADLO CCc1cnc(N2CC[NH+](C/C=C\c3ccccc3OC)CC2)s1 ZINC000538729403 1038496038 /nfs/dbraw/zinc/49/60/38/1038496038.db2.gz MNXSTHDVQBRWCM-VURMDHGXSA-N 1 2 343.496 3.550 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000538734300 1038499787 /nfs/dbraw/zinc/49/97/87/1038499787.db2.gz OKTVAINLRMXVSE-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1ccc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000538734300 1038499792 /nfs/dbraw/zinc/49/97/92/1038499792.db2.gz OKTVAINLRMXVSE-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C4CC4)cc3)c2)CC1 ZINC000667137521 1038509055 /nfs/dbraw/zinc/50/90/55/1038509055.db2.gz DASLPCZBZDPKKS-UHFFFAOYSA-N 1 2 349.478 3.564 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)cc1 ZINC000538786957 1038540672 /nfs/dbraw/zinc/54/06/72/1038540672.db2.gz WIVZDAMUTAJORP-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)cc1 ZINC000538786957 1038540682 /nfs/dbraw/zinc/54/06/82/1038540682.db2.gz WIVZDAMUTAJORP-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO OCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000339172683 1038619382 /nfs/dbraw/zinc/61/93/82/1038619382.db2.gz NLEUCRYTQJQBNE-KRWDZBQOSA-N 1 2 347.256 3.674 20 0 EHADLO OCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000339172683 1038619383 /nfs/dbraw/zinc/61/93/83/1038619383.db2.gz NLEUCRYTQJQBNE-KRWDZBQOSA-N 1 2 347.256 3.674 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(C2CCC2)cc1Br ZINC000416428237 1038654972 /nfs/dbraw/zinc/65/49/72/1038654972.db2.gz PUZVRSXORBNROX-UHFFFAOYSA-N 1 2 335.249 3.940 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000339175314 1038664661 /nfs/dbraw/zinc/66/46/61/1038664661.db2.gz QERJJPCHFFWCRE-LJQANCHMSA-N 1 2 339.483 3.614 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(C)cn1)[C@@H](c1ccccc1)C2 ZINC000660004449 1038677388 /nfs/dbraw/zinc/67/73/88/1038677388.db2.gz WVIGQMFBPDVXAF-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(C)cn1)[C@@H](c1ccccc1)C2 ZINC000660004449 1038677394 /nfs/dbraw/zinc/67/73/94/1038677394.db2.gz WVIGQMFBPDVXAF-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851487 1038784709 /nfs/dbraw/zinc/78/47/09/1038784709.db2.gz LECDYPRPCJDALJ-TZIWHRDSSA-N 1 2 343.559 3.751 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000485227142 1038786538 /nfs/dbraw/zinc/78/65/38/1038786538.db2.gz ZOTYZQYJWKFDEW-RBUKOAKNSA-N 1 2 325.456 3.876 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000462173023 1038807824 /nfs/dbraw/zinc/80/78/24/1038807824.db2.gz ZQLWHACWNVYTAF-IBGZPJMESA-N 1 2 348.849 3.945 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462214061 1038869736 /nfs/dbraw/zinc/86/97/36/1038869736.db2.gz YUZAMROBFKBCPT-HRCADAONSA-N 1 2 337.533 3.961 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@](C)(C(F)F)O1 ZINC000668821955 1038873137 /nfs/dbraw/zinc/87/31/37/1038873137.db2.gz OEEBDINWZVOPKQ-SCLBCKFNSA-N 1 2 341.446 3.712 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@](C)(C(F)F)O1 ZINC000668821955 1038873163 /nfs/dbraw/zinc/87/31/63/1038873163.db2.gz OEEBDINWZVOPKQ-SCLBCKFNSA-N 1 2 341.446 3.712 20 0 EHADLO Cc1nc2ccc(C[N@H+]3C[C@H](C)O[C@@](C)(C(F)F)C3)cc2s1 ZINC000668821946 1038873620 /nfs/dbraw/zinc/87/36/20/1038873620.db2.gz ODONPJGKHUMMAL-MGPLVRAMSA-N 1 2 326.412 3.849 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3C[C@H](C)O[C@@](C)(C(F)F)C3)cc2s1 ZINC000668821946 1038873645 /nfs/dbraw/zinc/87/36/45/1038873645.db2.gz ODONPJGKHUMMAL-MGPLVRAMSA-N 1 2 326.412 3.849 20 0 EHADLO CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000416685445 1038899294 /nfs/dbraw/zinc/89/92/94/1038899294.db2.gz NKQLUAHZMLEBAF-ZWKOTPCHSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC3(C)C)n2)C1 ZINC000554110600 1038913480 /nfs/dbraw/zinc/91/34/80/1038913480.db2.gz NMZGEPIIRQWEID-OCCSQVGLSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC3(C)C)n2)C1 ZINC000554110600 1038913492 /nfs/dbraw/zinc/91/34/92/1038913492.db2.gz NMZGEPIIRQWEID-OCCSQVGLSA-N 1 2 336.505 3.685 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccccn2)Cc2cc(C)nc(C)n2)c1 ZINC000660076051 1038946554 /nfs/dbraw/zinc/94/65/54/1038946554.db2.gz FKPYXKSZBXRFLM-UHFFFAOYSA-N 1 2 332.451 3.999 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccccn2)Cc2cc(C)nc(C)n2)c1 ZINC000660076051 1038946568 /nfs/dbraw/zinc/94/65/68/1038946568.db2.gz FKPYXKSZBXRFLM-UHFFFAOYSA-N 1 2 332.451 3.999 20 0 EHADLO CCOC[C@H](C)[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000488209029 1038964573 /nfs/dbraw/zinc/96/45/73/1038964573.db2.gz GNERABDPJVACQM-YJBOKZPZSA-N 1 2 337.423 3.841 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1F ZINC000651405683 1039000182 /nfs/dbraw/zinc/00/01/82/1039000182.db2.gz VYPZITDZDMOEOB-YOEHRIQHSA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1F ZINC000651405683 1039000202 /nfs/dbraw/zinc/00/02/02/1039000202.db2.gz VYPZITDZDMOEOB-YOEHRIQHSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000554191206 1039039497 /nfs/dbraw/zinc/03/94/97/1039039497.db2.gz FARUQUUEGBINNL-NEPJUHHUSA-N 1 2 328.334 3.932 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000554191206 1039039518 /nfs/dbraw/zinc/03/95/18/1039039518.db2.gz FARUQUUEGBINNL-NEPJUHHUSA-N 1 2 328.334 3.932 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432748384 1039040844 /nfs/dbraw/zinc/04/08/44/1039040844.db2.gz CMKRGWVCMXKMBC-INIZCTEOSA-N 1 2 328.412 3.527 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432748384 1039040864 /nfs/dbraw/zinc/04/08/64/1039040864.db2.gz CMKRGWVCMXKMBC-INIZCTEOSA-N 1 2 328.412 3.527 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(C2CCCCC2)CC1 ZINC000905702112 1039043405 /nfs/dbraw/zinc/04/34/05/1039043405.db2.gz UTLLLVIQMVJONN-UHFFFAOYSA-N 1 2 337.467 3.908 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@H](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000416809192 1039052393 /nfs/dbraw/zinc/05/23/93/1039052393.db2.gz PYRRKRXBTLIZAD-QZWWFDLISA-N 1 2 345.487 3.588 20 0 EHADLO Cc1cc(F)cc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)c1 ZINC000363944262 1039054024 /nfs/dbraw/zinc/05/40/24/1039054024.db2.gz GZIQKNDMQGVLNA-CQSZACIVSA-N 1 2 338.386 3.963 20 0 EHADLO Cc1cccc(C[NH+](CCO[C@H]2CC2(F)F)Cc2cccc(C)n2)n1 ZINC000660093257 1039068049 /nfs/dbraw/zinc/06/80/49/1039068049.db2.gz DRHQSACWGJACCG-SFHVURJKSA-N 1 2 347.409 3.520 20 0 EHADLO Cc1cc(F)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000432770247 1039098398 /nfs/dbraw/zinc/09/83/98/1039098398.db2.gz GNQBLNAMUNJBJX-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000512431119 1039103176 /nfs/dbraw/zinc/10/31/76/1039103176.db2.gz XXLXNNGMDZOLNN-SJORKVTESA-N 1 2 344.503 3.518 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000488325869 1039104512 /nfs/dbraw/zinc/10/45/12/1039104512.db2.gz BUBUTNUHHGFKKX-UHFFFAOYSA-N 1 2 334.423 3.789 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000477996311 1039106403 /nfs/dbraw/zinc/10/64/03/1039106403.db2.gz CXFHLONNHGVYAR-PBHICJAKSA-N 1 2 327.428 3.919 20 0 EHADLO CCN1CC[C@H]1C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000905803032 1039109464 /nfs/dbraw/zinc/10/94/64/1039109464.db2.gz CEVRVEHKLYJUHW-RBUKOAKNSA-N 1 2 348.450 3.510 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667276036 1039120757 /nfs/dbraw/zinc/12/07/57/1039120757.db2.gz WGCBNXZLWBPBSP-CRAIPNDOSA-N 1 2 338.455 3.685 20 0 EHADLO C[C@@H](NC(=S)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000044059028 1039127083 /nfs/dbraw/zinc/12/70/83/1039127083.db2.gz UGEWUMXNSAJMOP-OAHLLOKOSA-N 1 2 345.537 3.501 20 0 EHADLO CCOC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000614053979 1039168713 /nfs/dbraw/zinc/16/87/13/1039168713.db2.gz DUZFJSPWYUSGJF-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000339201160 1039212864 /nfs/dbraw/zinc/21/28/64/1039212864.db2.gz PKHXRHSVDIOSOK-ZFWWWQNUSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000339201155 1039213382 /nfs/dbraw/zinc/21/33/82/1039213382.db2.gz PKHXRHSVDIOSOK-DZGCQCFKSA-N 1 2 331.847 3.648 20 0 EHADLO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000432796183 1039218911 /nfs/dbraw/zinc/21/89/11/1039218911.db2.gz ZYFXMPRKYYVAEP-UHFFFAOYSA-N 1 2 325.456 3.565 20 0 EHADLO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000432796183 1039218920 /nfs/dbraw/zinc/21/89/20/1039218920.db2.gz ZYFXMPRKYYVAEP-UHFFFAOYSA-N 1 2 325.456 3.565 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(-n2ccnn2)c1 ZINC000554372117 1039256872 /nfs/dbraw/zinc/25/68/72/1039256872.db2.gz HZJKWXGMBKASLP-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO CSCC1(Cc2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000906129844 1039301781 /nfs/dbraw/zinc/30/17/81/1039301781.db2.gz UEVGNUGCWFRSAD-UHFFFAOYSA-N 1 2 340.452 3.532 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000667643282 1039329202 /nfs/dbraw/zinc/32/92/02/1039329202.db2.gz ZUHHRJDYZUFXIK-AWEZNQCLSA-N 1 2 341.402 3.729 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000667643282 1039329211 /nfs/dbraw/zinc/32/92/11/1039329211.db2.gz ZUHHRJDYZUFXIK-AWEZNQCLSA-N 1 2 341.402 3.729 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2ccccc2-n2cccn2)no1)n1cc[nH+]c1 ZINC000923872727 1039365484 /nfs/dbraw/zinc/36/54/84/1039365484.db2.gz LBGWMIUDCJHXKL-KRWDZBQOSA-N 1 2 348.410 3.754 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000552570075 1039368230 /nfs/dbraw/zinc/36/82/30/1039368230.db2.gz VJYITHNMDIHRAO-GXSJLCMTSA-N 1 2 328.243 3.971 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000669272910 1039399685 /nfs/dbraw/zinc/39/96/85/1039399685.db2.gz IQWNKGBLNXYXTM-HKUYNNGSSA-N 1 2 325.456 3.739 20 0 EHADLO C[C@@H](Oc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1)c1ccccc1 ZINC000898677300 1039406800 /nfs/dbraw/zinc/40/68/00/1039406800.db2.gz FUJCHOIQFGLKFR-KBRIMQKVSA-N 1 2 348.406 3.687 20 0 EHADLO C[C@@H](Oc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1)c1ccccc1 ZINC000898677300 1039406810 /nfs/dbraw/zinc/40/68/10/1039406810.db2.gz FUJCHOIQFGLKFR-KBRIMQKVSA-N 1 2 348.406 3.687 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccc(F)cc2)O1 ZINC000667663634 1039459792 /nfs/dbraw/zinc/45/97/92/1039459792.db2.gz SHHQLOLJCYJBFT-JLTOFOAXSA-N 1 2 343.446 3.789 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccc(F)cc2)O1 ZINC000667663634 1039459799 /nfs/dbraw/zinc/45/97/99/1039459799.db2.gz SHHQLOLJCYJBFT-JLTOFOAXSA-N 1 2 343.446 3.789 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485722390 1039461202 /nfs/dbraw/zinc/46/12/02/1039461202.db2.gz XQRMAFILGWCTOR-JTQLQIEISA-N 1 2 347.286 3.737 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485722390 1039461210 /nfs/dbraw/zinc/46/12/10/1039461210.db2.gz XQRMAFILGWCTOR-JTQLQIEISA-N 1 2 347.286 3.737 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543810 1039463331 /nfs/dbraw/zinc/46/33/31/1039463331.db2.gz MVGKCQUBLKXVQZ-MRXNPFEDSA-N 1 2 327.432 3.513 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000554543797 1039463605 /nfs/dbraw/zinc/46/36/05/1039463605.db2.gz LHJFJOIYCZUQSD-INIZCTEOSA-N 1 2 349.438 3.560 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@H](c3ccccn3)C3CCC3)nn2)cc1 ZINC000906316785 1039469237 /nfs/dbraw/zinc/46/92/37/1039469237.db2.gz VVFBSIOBGHMSHQ-FQEVSTJZSA-N 1 2 333.439 3.602 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668888934 1039471683 /nfs/dbraw/zinc/47/16/83/1039471683.db2.gz ZZASEQLTLJOBAS-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCCNc1cccc[nH+]1 ZINC000488987484 1039528111 /nfs/dbraw/zinc/52/81/11/1039528111.db2.gz WQOMOURYBRTMPH-SJORKVTESA-N 1 2 337.467 3.989 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)[C@H](C)[C@H](C)O1 ZINC000488995086 1039532704 /nfs/dbraw/zinc/53/27/04/1039532704.db2.gz HGIFDVKSFIDJBQ-ZACQAIPSSA-N 1 2 326.440 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@H](C)[C@H](C)O1 ZINC000488995086 1039532714 /nfs/dbraw/zinc/53/27/14/1039532714.db2.gz HGIFDVKSFIDJBQ-ZACQAIPSSA-N 1 2 326.440 3.658 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1c1cccc(F)c1 ZINC000651425154 1039537632 /nfs/dbraw/zinc/53/76/32/1039537632.db2.gz GVCBNWFERLWDCF-JLTOFOAXSA-N 1 2 341.430 3.511 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(Br)s1 ZINC000432858027 1039550806 /nfs/dbraw/zinc/55/08/06/1039550806.db2.gz HMBUWADFXRSHGK-MRVPVSSYSA-N 1 2 343.294 3.777 20 0 EHADLO COCC1(C)CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660172500 1039571217 /nfs/dbraw/zinc/57/12/17/1039571217.db2.gz PUZCTISXXJQIPQ-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc(OC)cc1 ZINC000660174537 1039573287 /nfs/dbraw/zinc/57/32/87/1039573287.db2.gz NKMYVXMJMRRRJK-LLVKDONJSA-N 1 2 331.363 3.806 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000554695366 1039599666 /nfs/dbraw/zinc/59/96/66/1039599666.db2.gz QVZQZMOSOFGYTR-AULYBMBSSA-N 1 2 347.344 3.740 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H](C)O1 ZINC000480539345 1039660884 /nfs/dbraw/zinc/66/08/84/1039660884.db2.gz KUAPGAUQLRWBJU-QAPCUYQASA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H](C)O1 ZINC000480539345 1039660893 /nfs/dbraw/zinc/66/08/93/1039660893.db2.gz KUAPGAUQLRWBJU-QAPCUYQASA-N 1 2 344.430 3.799 20 0 EHADLO O=C(C[NH+]1CCC(c2c(F)cccc2F)CC1)Nc1ccccc1 ZINC000485910208 1039683017 /nfs/dbraw/zinc/68/30/17/1039683017.db2.gz VLBMCVXIACQUDD-UHFFFAOYSA-N 1 2 330.378 3.783 20 0 EHADLO Cc1ccccc1C1(C(=O)NCC(C)(C)n2cc[nH+]c2)CCCC1 ZINC000898911275 1039699567 /nfs/dbraw/zinc/69/95/67/1039699567.db2.gz OQMHQLHFOOKVSL-UHFFFAOYSA-N 1 2 325.456 3.555 20 0 EHADLO CCOc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1F ZINC000485951235 1039711885 /nfs/dbraw/zinc/71/18/85/1039711885.db2.gz HVNKEJCBOZXYJT-UHFFFAOYSA-N 1 2 329.419 3.644 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c(C)[nH+]1 ZINC000906722828 1039733562 /nfs/dbraw/zinc/73/35/62/1039733562.db2.gz LMARZQWALYANRX-UHFFFAOYSA-N 1 2 325.387 3.600 20 0 EHADLO CN(C)c1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ns1 ZINC000554834466 1039807790 /nfs/dbraw/zinc/80/77/90/1039807790.db2.gz GDOLKGVVJVRQLF-MUJYYYPQSA-N 1 2 328.485 3.515 20 0 EHADLO CN(C)c1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ns1 ZINC000554834466 1039807805 /nfs/dbraw/zinc/80/78/05/1039807805.db2.gz GDOLKGVVJVRQLF-MUJYYYPQSA-N 1 2 328.485 3.515 20 0 EHADLO COc1cc(F)c(C[NH2+]C2(c3nccs3)CCCC2)cc1OC ZINC000584784839 1039834975 /nfs/dbraw/zinc/83/49/75/1039834975.db2.gz HQMWMOVYJGQZCX-UHFFFAOYSA-N 1 2 336.432 3.859 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2c2cc(N3CCCC3)[nH+]cn2)c1 ZINC000553159141 1039840338 /nfs/dbraw/zinc/84/03/38/1039840338.db2.gz HACDQZAEEBPYKJ-QAPCUYQASA-N 1 2 338.455 3.673 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2c2cc(N3CCCC3)nc[nH+]2)c1 ZINC000553159141 1039840360 /nfs/dbraw/zinc/84/03/60/1039840360.db2.gz HACDQZAEEBPYKJ-QAPCUYQASA-N 1 2 338.455 3.673 20 0 EHADLO CCSc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000478971207 1039849780 /nfs/dbraw/zinc/84/97/80/1039849780.db2.gz ZMACGRXBBWGARW-WMLDXEAASA-N 1 2 329.469 3.718 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c(C)c[nH+]1 ZINC000554866349 1039850714 /nfs/dbraw/zinc/85/07/14/1039850714.db2.gz XYHLYVUXZNQRCK-SFHVURJKSA-N 1 2 347.821 3.876 20 0 EHADLO CCc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1O ZINC000553247186 1039910578 /nfs/dbraw/zinc/91/05/78/1039910578.db2.gz LULYVGHUKGISCF-UHFFFAOYSA-N 1 2 345.468 3.649 20 0 EHADLO O[C@H](CNc1cc[nH+]c2c(Cl)cccc12)COc1ccccc1 ZINC000553279910 1039932216 /nfs/dbraw/zinc/93/22/16/1039932216.db2.gz KQINGMZWWTYWGM-CYBMUJFWSA-N 1 2 328.799 3.740 20 0 EHADLO CN(c1cc[nH+]c2c(Br)ccc(F)c12)[C@H]1CCCOC1 ZINC000553264072 1039935243 /nfs/dbraw/zinc/93/52/43/1039935243.db2.gz AQUDCMAXZNOMFN-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnc(F)c(C)c2)C3)cc1 ZINC000894007437 1039948471 /nfs/dbraw/zinc/94/84/71/1039948471.db2.gz DZUJQEJFZCCOTB-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnc(F)c(C)c2)C3)cc1 ZINC000894007437 1039948486 /nfs/dbraw/zinc/94/84/86/1039948486.db2.gz DZUJQEJFZCCOTB-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO Cc1nc2ccc(Cl)cn2c1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000912538763 1039975756 /nfs/dbraw/zinc/97/57/56/1039975756.db2.gz ZXGHVECWHPRCAX-CQSZACIVSA-N 1 2 345.834 3.719 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162438588 1040005864 /nfs/dbraw/zinc/00/58/64/1040005864.db2.gz ZFKHXAXGFWLRCL-CQSZACIVSA-N 1 2 330.457 3.887 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cccc(OC(C)(C)C)n1 ZINC000489467534 1040010838 /nfs/dbraw/zinc/01/08/38/1040010838.db2.gz FIFNCTGAUFYZBE-UHFFFAOYSA-N 1 2 349.500 3.672 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cccc(OC(C)(C)C)n1 ZINC000489467534 1040010851 /nfs/dbraw/zinc/01/08/51/1040010851.db2.gz FIFNCTGAUFYZBE-UHFFFAOYSA-N 1 2 349.500 3.672 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907344815 1040011957 /nfs/dbraw/zinc/01/19/57/1040011957.db2.gz KWVBYQKIVOWTFA-QGZVFWFLSA-N 1 2 340.471 3.503 20 0 EHADLO Cc1ccoc1CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811365 1040176821 /nfs/dbraw/zinc/17/68/21/1040176821.db2.gz SLXRELGMWIFGBI-OAHLLOKOSA-N 1 2 341.455 3.575 20 0 EHADLO Cc1ccoc1CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811365 1040176834 /nfs/dbraw/zinc/17/68/34/1040176834.db2.gz SLXRELGMWIFGBI-OAHLLOKOSA-N 1 2 341.455 3.575 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000907816766 1040185125 /nfs/dbraw/zinc/18/51/25/1040185125.db2.gz XLRLANFKIUUOLS-YESZJQIVSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000907816766 1040185132 /nfs/dbraw/zinc/18/51/32/1040185132.db2.gz XLRLANFKIUUOLS-YESZJQIVSA-N 1 2 341.499 3.867 20 0 EHADLO CCOc1ccccc1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923808853 1040211732 /nfs/dbraw/zinc/21/17/32/1040211732.db2.gz QHRFFUJFHBAIRE-HNNXBMFYSA-N 1 2 326.400 3.967 20 0 EHADLO CC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)c1ccccc1 ZINC000489879889 1040220428 /nfs/dbraw/zinc/22/04/28/1040220428.db2.gz CZCQQRRUSOTOBG-LJQANCHMSA-N 1 2 348.450 3.754 20 0 EHADLO CCn1nc(C2CC2)cc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000907905736 1040226391 /nfs/dbraw/zinc/22/63/91/1040226391.db2.gz GBEOSHNLUCPVTO-UHFFFAOYSA-N 1 2 335.411 3.731 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016362 1040266990 /nfs/dbraw/zinc/26/69/90/1040266990.db2.gz PVRWSCOZKPFPNG-HZPDHXFCSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016362 1040267007 /nfs/dbraw/zinc/26/70/07/1040267007.db2.gz PVRWSCOZKPFPNG-HZPDHXFCSA-N 1 2 325.449 3.647 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1Oc1ccncc1 ZINC000614150293 1040273780 /nfs/dbraw/zinc/27/37/80/1040273780.db2.gz KPFJFKSBERJDCH-IAGOWNOFSA-N 1 2 348.406 3.658 20 0 EHADLO Cc1cc(N2CC[C@H](O)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000489987985 1040291079 /nfs/dbraw/zinc/29/10/79/1040291079.db2.gz FFLZAACRYBUQRI-YGRLFVJLSA-N 1 2 340.345 3.649 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1CCCCC1 ZINC000490031328 1040298203 /nfs/dbraw/zinc/29/82/03/1040298203.db2.gz ICCBMCBWHQYTDH-ZJUUUORDSA-N 1 2 349.422 3.650 20 0 EHADLO CCc1c(C(=O)C[N@@H+](CC)Cc2ccccc2)[nH]c(C)c1C(C)=O ZINC000432969752 1040328189 /nfs/dbraw/zinc/32/81/89/1040328189.db2.gz DTSAIRMYCZQEPZ-UHFFFAOYSA-N 1 2 326.440 3.793 20 0 EHADLO CCc1c(C(=O)C[N@H+](CC)Cc2ccccc2)[nH]c(C)c1C(C)=O ZINC000432969752 1040328202 /nfs/dbraw/zinc/32/82/02/1040328202.db2.gz DTSAIRMYCZQEPZ-UHFFFAOYSA-N 1 2 326.440 3.793 20 0 EHADLO CCN(CC)c1ccc(NCc2ccc(OC)c(OC)c2C)c[nH+]1 ZINC000490084727 1040350680 /nfs/dbraw/zinc/35/06/80/1040350680.db2.gz IQWATWXUSXMZRF-UHFFFAOYSA-N 1 2 329.444 3.866 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000512635412 1040355607 /nfs/dbraw/zinc/35/56/07/1040355607.db2.gz YDTXPSPNHONGTA-UHFFFAOYSA-N 1 2 337.533 3.927 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc2c1ccn2C(F)F ZINC000667515801 1040385026 /nfs/dbraw/zinc/38/50/26/1040385026.db2.gz NXGYYCJLCQYEMH-UHFFFAOYSA-N 1 2 347.369 3.835 20 0 EHADLO Cn1nc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c2ccccc21 ZINC000668673665 1040393587 /nfs/dbraw/zinc/39/35/87/1040393587.db2.gz WBANTLRAVCEULW-LJQANCHMSA-N 1 2 337.423 3.520 20 0 EHADLO Cn1nc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c2ccccc21 ZINC000668673665 1040393597 /nfs/dbraw/zinc/39/35/97/1040393597.db2.gz WBANTLRAVCEULW-LJQANCHMSA-N 1 2 337.423 3.520 20 0 EHADLO CC(C)(C)C1CC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000908421086 1040461174 /nfs/dbraw/zinc/46/11/74/1040461174.db2.gz AHTCARPGVMLAPQ-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1OC ZINC000555368184 1040488747 /nfs/dbraw/zinc/48/87/47/1040488747.db2.gz MOKTUECKCYPOCM-LJQANCHMSA-N 1 2 333.378 3.914 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1OC ZINC000555368184 1040488753 /nfs/dbraw/zinc/48/87/53/1040488753.db2.gz MOKTUECKCYPOCM-LJQANCHMSA-N 1 2 333.378 3.914 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000433036949 1040539422 /nfs/dbraw/zinc/53/94/22/1040539422.db2.gz AQOHVEUQNRKMJT-JCQPUDPBSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000433036949 1040539436 /nfs/dbraw/zinc/53/94/36/1040539436.db2.gz AQOHVEUQNRKMJT-JCQPUDPBSA-N 1 2 335.444 3.737 20 0 EHADLO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247304120 1040555848 /nfs/dbraw/zinc/55/58/48/1040555848.db2.gz IWRVTNIUVLIBFT-YLFCFFPRSA-N 1 2 345.487 3.558 20 0 EHADLO CC(C)c1noc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951521 1040623270 /nfs/dbraw/zinc/62/32/70/1040623270.db2.gz HHGXNTVDSUAPAG-HOTGVXAUSA-N 1 2 329.444 3.871 20 0 EHADLO CC(C)c1noc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951521 1040623279 /nfs/dbraw/zinc/62/32/79/1040623279.db2.gz HHGXNTVDSUAPAG-HOTGVXAUSA-N 1 2 329.444 3.871 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2s1)N1CC[NH+](C2CCC2)CC1 ZINC000668723333 1040631429 /nfs/dbraw/zinc/63/14/29/1040631429.db2.gz SHWJKQAUAHFFAZ-UHFFFAOYSA-N 1 2 334.872 3.865 20 0 EHADLO COc1cccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1OC(C)C ZINC000667861193 1040633497 /nfs/dbraw/zinc/63/34/97/1040633497.db2.gz JWDVMEVVVIYYSA-UHFFFAOYSA-N 1 2 339.395 3.691 20 0 EHADLO COc1cccc(C2(F)CC[NH+](Cc3nc(CC(C)C)no3)CC2)c1 ZINC000500165006 1040636774 /nfs/dbraw/zinc/63/67/74/1040636774.db2.gz MITNVPAZHQRBRW-UHFFFAOYSA-N 1 2 347.434 3.738 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1O ZINC000343861373 1040678438 /nfs/dbraw/zinc/67/84/38/1040678438.db2.gz YEBKWKHSRHRDGB-MRVPVSSYSA-N 1 2 332.347 3.727 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)n1 ZINC000600130978 1040697572 /nfs/dbraw/zinc/69/75/72/1040697572.db2.gz BQIMSBLKMIUAGY-UHFFFAOYSA-N 1 2 345.468 3.582 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000660359079 1040712768 /nfs/dbraw/zinc/71/27/68/1040712768.db2.gz UNSJUNITZJKRPV-OAHLLOKOSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1[nH]c(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)[nH+]c1C ZINC000600147702 1040732316 /nfs/dbraw/zinc/73/23/16/1040732316.db2.gz IDVIEZQQFNVHEZ-PMPSAXMXSA-N 1 2 333.476 3.501 20 0 EHADLO CC(C)C[C@H](c1nc([C@H]2Cc3ccc(F)cc32)no1)n1cc[nH+]c1 ZINC000924151894 1040779082 /nfs/dbraw/zinc/77/90/82/1040779082.db2.gz UGSYASUBDSFBJW-JKSUJKDBSA-N 1 2 326.375 3.729 20 0 EHADLO CCNC(=O)Nc1ccc(C)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000487195290 1040779129 /nfs/dbraw/zinc/77/91/29/1040779129.db2.gz JOCLEKULMKKADW-UHFFFAOYSA-N 1 2 349.438 3.934 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000364326198 1040803156 /nfs/dbraw/zinc/80/31/56/1040803156.db2.gz FUCSDEANBVZKSV-HNNXBMFYSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000364326198 1040803165 /nfs/dbraw/zinc/80/31/65/1040803165.db2.gz FUCSDEANBVZKSV-HNNXBMFYSA-N 1 2 327.877 3.508 20 0 EHADLO Cc1ccc2ncc(CN3CC[NH+](Cc4cccc(O)c4)CC3)cc2c1 ZINC000411392087 1040816560 /nfs/dbraw/zinc/81/65/60/1040816560.db2.gz QIDDOJWIGFDXNM-UHFFFAOYSA-N 1 2 347.462 3.567 20 0 EHADLO CC1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)Cc2ccccc2C1 ZINC001211782953 1040857981 /nfs/dbraw/zinc/85/79/81/1040857981.db2.gz RRIXKJZPDCFZSM-UHFFFAOYSA-N 1 2 342.402 3.979 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cs1 ZINC000614271081 1040883506 /nfs/dbraw/zinc/88/35/06/1040883506.db2.gz WSVWCRGQLIIAEU-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO Cc1ccc(C)c(OCCn2c3ccccc3[nH+]c2NC[C@@H](C)O)c1 ZINC000253477859 1040887540 /nfs/dbraw/zinc/88/75/40/1040887540.db2.gz HXUAUJALGLILKZ-MRXNPFEDSA-N 1 2 339.439 3.525 20 0 EHADLO CC(F)(F)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000555609024 1040909969 /nfs/dbraw/zinc/90/99/69/1040909969.db2.gz LVIOUPLKGSPGTE-UHFFFAOYSA-N 1 2 328.366 3.679 20 0 EHADLO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000555644128 1040948520 /nfs/dbraw/zinc/94/85/20/1040948520.db2.gz ZGHDQYFPCRMKBP-KGLIPLIRSA-N 1 2 329.206 3.554 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000054733757 1040986271 /nfs/dbraw/zinc/98/62/71/1040986271.db2.gz TVJHPMQXYKWCQW-AWEZNQCLSA-N 1 2 349.525 3.706 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3cccc(F)c3)C3CC3)[nH+]c12 ZINC000586750031 1040995216 /nfs/dbraw/zinc/99/52/16/1040995216.db2.gz TXOXPERLNNCZTB-UHFFFAOYSA-N 1 2 337.398 3.516 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccccc3C)C3CC3)[nH+]c12 ZINC000586750012 1040995770 /nfs/dbraw/zinc/99/57/70/1040995770.db2.gz OCOJVMJRMMFVJC-UHFFFAOYSA-N 1 2 333.435 3.685 20 0 EHADLO C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000364375680 1041044381 /nfs/dbraw/zinc/04/43/81/1041044381.db2.gz FIVLCSBCYZCXKS-OAQYLSRUSA-N 1 2 331.419 3.676 20 0 EHADLO CCNC(=O)Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000433198959 1041048592 /nfs/dbraw/zinc/04/85/92/1041048592.db2.gz JACQWZFYMJRIPH-UHFFFAOYSA-N 1 2 349.438 3.934 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]3CCCC[C@@H]31)C2 ZINC000364386327 1041081102 /nfs/dbraw/zinc/08/11/02/1041081102.db2.gz MXIWCSSOGBNOSD-RKVPGOIHSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]3CCCC[C@@H]31)CC2 ZINC000364386327 1041081119 /nfs/dbraw/zinc/08/11/19/1041081119.db2.gz MXIWCSSOGBNOSD-RKVPGOIHSA-N 1 2 329.488 3.819 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000555740985 1041086845 /nfs/dbraw/zinc/08/68/45/1041086845.db2.gz BADRECLJHPGXPW-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000555740985 1041086860 /nfs/dbraw/zinc/08/68/60/1041086860.db2.gz BADRECLJHPGXPW-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=S)n1C1CC1 ZINC000055019024 1041099765 /nfs/dbraw/zinc/09/97/65/1041099765.db2.gz QVLBBBMKTFSDHI-KRWDZBQOSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=S)n1C1CC1 ZINC000055019024 1041099783 /nfs/dbraw/zinc/09/97/83/1041099783.db2.gz QVLBBBMKTFSDHI-KRWDZBQOSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cn2c3ccccc3n(C)c2=S)on1 ZINC000047272331 1041115496 /nfs/dbraw/zinc/11/54/96/1041115496.db2.gz CBTRTICNRIOFGX-OAHLLOKOSA-N 1 2 328.441 3.800 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cn2c3ccccc3n(C)c2=S)on1 ZINC000047272331 1041115500 /nfs/dbraw/zinc/11/55/00/1041115500.db2.gz CBTRTICNRIOFGX-OAHLLOKOSA-N 1 2 328.441 3.800 20 0 EHADLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000433232801 1041121867 /nfs/dbraw/zinc/12/18/67/1041121867.db2.gz NIEQZNUUSMKZSW-UHFFFAOYSA-N 1 2 325.456 3.655 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nc(C)oc1C ZINC000660392921 1041122008 /nfs/dbraw/zinc/12/20/08/1041122008.db2.gz UEIUUTFYSGWAML-VIFPVBQESA-N 1 2 339.233 3.913 20 0 EHADLO CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](CC)c1ccccc1 ZINC000570931297 1041138042 /nfs/dbraw/zinc/13/80/42/1041138042.db2.gz KOADIIFNMVMSLU-IEBWSBKVSA-N 1 2 325.456 3.835 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433291611 1041227576 /nfs/dbraw/zinc/22/75/76/1041227576.db2.gz WRMAWCQZWGQMGJ-AAEUAGOBSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433291611 1041227594 /nfs/dbraw/zinc/22/75/94/1041227594.db2.gz WRMAWCQZWGQMGJ-AAEUAGOBSA-N 1 2 335.860 3.613 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660424241 1041230645 /nfs/dbraw/zinc/23/06/45/1041230645.db2.gz ASSBMPXUIMXOIC-NSHDSACASA-N 1 2 329.391 3.928 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660424241 1041230659 /nfs/dbraw/zinc/23/06/59/1041230659.db2.gz ASSBMPXUIMXOIC-NSHDSACASA-N 1 2 329.391 3.928 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433293764 1041233314 /nfs/dbraw/zinc/23/33/14/1041233314.db2.gz HRZWJCVRJJGJEN-LLVKDONJSA-N 1 2 345.752 3.817 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433293764 1041233330 /nfs/dbraw/zinc/23/33/30/1041233330.db2.gz HRZWJCVRJJGJEN-LLVKDONJSA-N 1 2 345.752 3.817 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccnc(OC3CCC3)c2)s1 ZINC000433313554 1041254120 /nfs/dbraw/zinc/25/41/20/1041254120.db2.gz WFDTVFHZUUVIKG-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO COc1cccc(C2(c3noc(C[C@H](C)n4cc[nH+]c4)n3)CCC2)c1 ZINC000571289093 1041256999 /nfs/dbraw/zinc/25/69/99/1041256999.db2.gz QACLQVNZIKQOTP-AWEZNQCLSA-N 1 2 338.411 3.548 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)ccc21 ZINC000364423740 1041266722 /nfs/dbraw/zinc/26/67/22/1041266722.db2.gz NLRDQBKIGDFVFD-MRXNPFEDSA-N 1 2 336.439 3.695 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364442408 1041298503 /nfs/dbraw/zinc/29/85/03/1041298503.db2.gz QWPWAFSENKDJJO-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000093638495 1041422131 /nfs/dbraw/zinc/42/21/31/1041422131.db2.gz USPFEIJBQPBEHO-JOCHJYFZSA-N 1 2 347.462 3.730 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000093638495 1041422142 /nfs/dbraw/zinc/42/21/42/1041422142.db2.gz USPFEIJBQPBEHO-JOCHJYFZSA-N 1 2 347.462 3.730 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H](C2CCC2)C1 ZINC000660457222 1041436785 /nfs/dbraw/zinc/43/67/85/1041436785.db2.gz KKUNTDMYTBJIBV-SFHVURJKSA-N 1 2 338.455 3.594 20 0 EHADLO Fc1ccc2oc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000511687254 1041464443 /nfs/dbraw/zinc/46/44/43/1041464443.db2.gz CSQWUDRTQDDCCY-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO C[C@@H]1CC[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000432084130 1041566609 /nfs/dbraw/zinc/56/66/09/1041566609.db2.gz CUFOTKSQCQDMKL-CVEARBPZSA-N 1 2 342.443 3.520 20 0 EHADLO Cc1nc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2s1 ZINC000432136404 1041635796 /nfs/dbraw/zinc/63/57/96/1041635796.db2.gz CWPZNUDGGSKGDH-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C(F)F)C1 ZINC000660626637 1041731952 /nfs/dbraw/zinc/73/19/52/1041731952.db2.gz YWYQMJNSVNELTH-ZBFHGGJFSA-N 1 2 338.442 3.867 20 0 EHADLO CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651619076 1041796124 /nfs/dbraw/zinc/79/61/24/1041796124.db2.gz GMXMCZGLCFTWKJ-UHFFFAOYSA-N 1 2 345.418 3.717 20 0 EHADLO Cc1cc(C)cc(C2=CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)c1 ZINC000651637329 1041819155 /nfs/dbraw/zinc/81/91/55/1041819155.db2.gz KYUZRWCUBHZVOQ-UHFFFAOYSA-N 1 2 349.478 3.695 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)[nH]1 ZINC000661208371 1042008282 /nfs/dbraw/zinc/00/82/82/1042008282.db2.gz SKWUYNQIYBWAMP-AUUYWEPGSA-N 1 2 336.439 3.816 20 0 EHADLO CC1(C)CC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000661249368 1042027849 /nfs/dbraw/zinc/02/78/49/1042027849.db2.gz ZNJITZUIDMWZAK-UHFFFAOYSA-N 1 2 332.835 3.514 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)cc(C)[nH+]1 ZINC000661329471 1042068053 /nfs/dbraw/zinc/06/80/53/1042068053.db2.gz BQKAZSGVGDEHRS-OAHLLOKOSA-N 1 2 339.439 3.584 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1cscn1 ZINC000661424635 1042114779 /nfs/dbraw/zinc/11/47/79/1042114779.db2.gz LLSKGZFXOIEIDC-STQMWFEESA-N 1 2 347.509 3.711 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc(OC)c1 ZINC000661477971 1042139866 /nfs/dbraw/zinc/13/98/66/1042139866.db2.gz JLJAUHGGOWZDID-MRXNPFEDSA-N 1 2 344.436 3.889 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000661508944 1042154641 /nfs/dbraw/zinc/15/46/41/1042154641.db2.gz BTFQTAUUCVDPNM-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000661508944 1042154644 /nfs/dbraw/zinc/15/46/44/1042154644.db2.gz BTFQTAUUCVDPNM-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO CC(C)(C)OCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661540959 1042176243 /nfs/dbraw/zinc/17/62/43/1042176243.db2.gz MHHMGERFLIQMLH-GFCCVEGCSA-N 1 2 331.382 3.838 20 0 EHADLO CC(C)(C)OCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661540959 1042176246 /nfs/dbraw/zinc/17/62/46/1042176246.db2.gz MHHMGERFLIQMLH-GFCCVEGCSA-N 1 2 331.382 3.838 20 0 EHADLO CC[C@H](C)CCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000796655426 1042192529 /nfs/dbraw/zinc/19/25/29/1042192529.db2.gz NZIAXBDWZVTROB-INIZCTEOSA-N 1 2 331.504 3.664 20 0 EHADLO CC[C@@H](C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661582452 1042201427 /nfs/dbraw/zinc/20/14/27/1042201427.db2.gz AFTPZYGNIZQUSR-OAHLLOKOSA-N 1 2 332.492 3.545 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890564 1042210717 /nfs/dbraw/zinc/21/07/17/1042210717.db2.gz SERAEYVVGZQJDY-KRWDZBQOSA-N 1 2 348.450 3.693 20 0 EHADLO Cc1ccc2[nH]c(C[N@H+](C)CC(=O)Nc3cccc(F)c3)cc2c1C ZINC000473146906 1042337664 /nfs/dbraw/zinc/33/76/64/1042337664.db2.gz MDVSKFURRKDECL-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1ccc2[nH]c(C[N@@H+](C)CC(=O)Nc3cccc(F)c3)cc2c1C ZINC000473146906 1042337668 /nfs/dbraw/zinc/33/76/68/1042337668.db2.gz MDVSKFURRKDECL-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000198224810 1042345225 /nfs/dbraw/zinc/34/52/25/1042345225.db2.gz JAKMQBITGARFHC-UHFFFAOYSA-N 1 2 338.451 3.528 20 0 EHADLO O=C(NCCCC1CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000661827577 1042351383 /nfs/dbraw/zinc/35/13/83/1042351383.db2.gz NTZDMNOSDKDRGY-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000026190137 1042415580 /nfs/dbraw/zinc/41/55/80/1042415580.db2.gz IJGCOXUHUQEGEI-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000026190137 1042415585 /nfs/dbraw/zinc/41/55/85/1042415585.db2.gz IJGCOXUHUQEGEI-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000661982557 1042444326 /nfs/dbraw/zinc/44/43/26/1042444326.db2.gz ZIDHGENAFRMDMT-INIZCTEOSA-N 1 2 339.439 3.802 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000661982557 1042444329 /nfs/dbraw/zinc/44/43/29/1042444329.db2.gz ZIDHGENAFRMDMT-INIZCTEOSA-N 1 2 339.439 3.802 20 0 EHADLO CC[C@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000184386991 1042496565 /nfs/dbraw/zinc/49/65/65/1042496565.db2.gz LWHPLJCNRCJVDS-FZMZJTMJSA-N 1 2 337.876 3.715 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1(c2cccc(Cl)c2)CCC1 ZINC000652494179 1042504945 /nfs/dbraw/zinc/50/49/45/1042504945.db2.gz YGKUQKVUKWTJQK-UHFFFAOYSA-N 1 2 343.858 3.611 20 0 EHADLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000053814029 1042568868 /nfs/dbraw/zinc/56/88/68/1042568868.db2.gz LTLYEHHCLJHDRO-LBPRGKRZSA-N 1 2 343.901 3.868 20 0 EHADLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000053814029 1042568873 /nfs/dbraw/zinc/56/88/73/1042568873.db2.gz LTLYEHHCLJHDRO-LBPRGKRZSA-N 1 2 343.901 3.868 20 0 EHADLO CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)CC(F)(F)F ZINC000662196539 1042578837 /nfs/dbraw/zinc/57/88/37/1042578837.db2.gz CEFLKOMBISULEP-UHFFFAOYSA-N 1 2 346.397 3.552 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1ncc(Cl)s1 ZINC000662203770 1042590006 /nfs/dbraw/zinc/59/00/06/1042590006.db2.gz DSUKXYHYERKVOU-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1ncc(Cl)s1 ZINC000662203770 1042590010 /nfs/dbraw/zinc/59/00/10/1042590010.db2.gz DSUKXYHYERKVOU-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000278859956 1042604096 /nfs/dbraw/zinc/60/40/96/1042604096.db2.gz MZPKTHSPWDWZMC-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CC2)nc1-c1ccc(Cl)cc1 ZINC000162879745 1042605159 /nfs/dbraw/zinc/60/51/59/1042605159.db2.gz TWIFXAMZYRFUQL-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CC2)nc1-c1ccc(Cl)cc1 ZINC000162879745 1042605165 /nfs/dbraw/zinc/60/51/65/1042605165.db2.gz TWIFXAMZYRFUQL-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO CO[C@@](C)(C[NH2+]CC(F)(F)c1ccc(Br)cc1)C1CC1 ZINC001182999178 1133755944 /nfs/dbraw/zinc/75/59/44/1133755944.db2.gz HHWCAXKKYGXVBH-AWEZNQCLSA-N 1 2 348.231 3.946 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000601930375 1042646575 /nfs/dbraw/zinc/64/65/75/1042646575.db2.gz HUGNZVPSLXCXHR-QWHCGFSZSA-N 1 2 328.412 3.752 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000186374724 1042658692 /nfs/dbraw/zinc/65/86/92/1042658692.db2.gz FSUAYLKZJBHWCU-KRWDZBQOSA-N 1 2 334.803 3.523 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000186374724 1042658695 /nfs/dbraw/zinc/65/86/95/1042658695.db2.gz FSUAYLKZJBHWCU-KRWDZBQOSA-N 1 2 334.803 3.523 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662289963 1042661365 /nfs/dbraw/zinc/66/13/65/1042661365.db2.gz BIFZHEKFEXKCRE-VCBZYWHSSA-N 1 2 336.435 3.592 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1Cc2ccccc2[C@H]1C ZINC000662289963 1042661369 /nfs/dbraw/zinc/66/13/69/1042661369.db2.gz BIFZHEKFEXKCRE-VCBZYWHSSA-N 1 2 336.435 3.592 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000161800434 1042687141 /nfs/dbraw/zinc/68/71/41/1042687141.db2.gz WMHSFDLBDYMAFA-UHFFFAOYSA-N 1 2 329.363 3.719 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000662367848 1042692077 /nfs/dbraw/zinc/69/20/77/1042692077.db2.gz QKUJLBPLDCLPRD-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000662367848 1042692081 /nfs/dbraw/zinc/69/20/81/1042692081.db2.gz QKUJLBPLDCLPRD-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657465 1042697251 /nfs/dbraw/zinc/69/72/51/1042697251.db2.gz WXMPJCBCKUZVBG-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1OC ZINC000631093000 1042707563 /nfs/dbraw/zinc/70/75/63/1042707563.db2.gz GYAOZLUATFDCSX-UHFFFAOYSA-N 1 2 349.862 3.959 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000663352931 1042742115 /nfs/dbraw/zinc/74/21/15/1042742115.db2.gz YHXKFSISJBDHFF-QGZVFWFLSA-N 1 2 349.434 3.667 20 0 EHADLO COc1cccc(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1F ZINC000663352366 1042745647 /nfs/dbraw/zinc/74/56/47/1042745647.db2.gz UHWSUCQNQUYHTN-MRXNPFEDSA-N 1 2 337.398 3.797 20 0 EHADLO CCOC(=O)CC1(Nc2cc3cc(C)[nH]c3c[nH+]2)Cc2ccccc2C1 ZINC001167801822 1042749149 /nfs/dbraw/zinc/74/91/49/1042749149.db2.gz WWPRVTBAHOWTEQ-UHFFFAOYSA-N 1 2 349.434 3.774 20 0 EHADLO Cc1nc(N[C@@H](C)c2nc3ccccc3[nH]2)c(Br)c(C)[nH+]1 ZINC000663368923 1042761527 /nfs/dbraw/zinc/76/15/27/1042761527.db2.gz RTDDMEQEHBUKFY-VIFPVBQESA-N 1 2 346.232 3.905 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C/C=C/c1ccccc1 ZINC000544624676 1042812974 /nfs/dbraw/zinc/81/29/74/1042812974.db2.gz VWIPKNVCHQGNBX-RMKNXTFCSA-N 1 2 335.856 3.547 20 0 EHADLO FC1(F)CCC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000390792821 1042897897 /nfs/dbraw/zinc/89/78/97/1042897897.db2.gz DGWDAMWVVRVIED-LLVKDONJSA-N 1 2 337.151 3.569 20 0 EHADLO Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272511 1042908376 /nfs/dbraw/zinc/90/83/76/1042908376.db2.gz FDLTWUDXHICJMJ-ZBFHGGJFSA-N 1 2 327.428 3.875 20 0 EHADLO C[C@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC(C)(C)C1 ZINC000303208811 1042917145 /nfs/dbraw/zinc/91/71/45/1042917145.db2.gz QOWHZCWKYSWVID-QWHCGFSZSA-N 1 2 335.517 3.922 20 0 EHADLO C[C@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC(C)(C)C1 ZINC000303208811 1042917147 /nfs/dbraw/zinc/91/71/47/1042917147.db2.gz QOWHZCWKYSWVID-QWHCGFSZSA-N 1 2 335.517 3.922 20 0 EHADLO COc1cncc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000343949936 1042925525 /nfs/dbraw/zinc/92/55/25/1042925525.db2.gz FTSOBYDWUOVKPX-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985799 1043024075 /nfs/dbraw/zinc/02/40/75/1043024075.db2.gz KTLHHCIKSNPCHR-HNNXBMFYSA-N 1 2 332.407 3.533 20 0 EHADLO O=C(CCCOc1ccccc1Cl)NCCCNc1cccc[nH+]1 ZINC000115160192 1043027220 /nfs/dbraw/zinc/02/72/20/1043027220.db2.gz YYOWGDMXNYXRGH-UHFFFAOYSA-N 1 2 347.846 3.512 20 0 EHADLO CCN(CCC(F)(F)F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644855295 1043090745 /nfs/dbraw/zinc/09/07/45/1043090745.db2.gz MTTGPCVDHKLUSL-CQSZACIVSA-N 1 2 339.361 3.733 20 0 EHADLO C[N@H+](CCCc1cccc2ccccc21)Cc1ncnn1CC(F)F ZINC000279023233 1043210645 /nfs/dbraw/zinc/21/06/45/1043210645.db2.gz VYPYDHUTQMNKIT-UHFFFAOYSA-N 1 2 344.409 3.761 20 0 EHADLO C[N@@H+](CCCc1cccc2ccccc21)Cc1ncnn1CC(F)F ZINC000279023233 1043210653 /nfs/dbraw/zinc/21/06/53/1043210653.db2.gz VYPYDHUTQMNKIT-UHFFFAOYSA-N 1 2 344.409 3.761 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000344116778 1043281398 /nfs/dbraw/zinc/28/13/98/1043281398.db2.gz NIKRVFWOPCTJLG-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000344116778 1043281402 /nfs/dbraw/zinc/28/14/02/1043281402.db2.gz NIKRVFWOPCTJLG-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279060644 1043283145 /nfs/dbraw/zinc/28/31/45/1043283145.db2.gz ZWUFTTVYHFJVCT-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512118119 1043308441 /nfs/dbraw/zinc/30/84/41/1043308441.db2.gz GHOJYGLOKUXCIB-DLBZAZTESA-N 1 2 344.503 3.566 20 0 EHADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2c(F)ccc(OC(C)C)c2F)cc1 ZINC001204669870 1043320264 /nfs/dbraw/zinc/32/02/64/1043320264.db2.gz SKZLTPZPKREGEL-KRWDZBQOSA-N 1 2 335.350 3.592 20 0 EHADLO COc1ccc(C[N@@H+]2CCCc3occc3C2)cc1Br ZINC000344309096 1043632996 /nfs/dbraw/zinc/63/29/96/1043632996.db2.gz XFUZCGXKTMGGMS-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO COc1ccc(C[N@H+]2CCCc3occc3C2)cc1Br ZINC000344309096 1043632999 /nfs/dbraw/zinc/63/29/99/1043632999.db2.gz XFUZCGXKTMGGMS-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO Clc1cc(C[NH+]2CCN(c3cncc4ccccc43)CC2)ccn1 ZINC000279257602 1043664315 /nfs/dbraw/zinc/66/43/15/1043664315.db2.gz LWRVPGHFNFTOBG-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO Fc1ccc2nc(C(F)F)nc(N3CCC(c4c[nH]c[nH+]4)CC3)c2c1 ZINC000663701954 1043714033 /nfs/dbraw/zinc/71/40/33/1043714033.db2.gz SOHFVPIYKFKFRW-UHFFFAOYSA-N 1 2 347.344 3.814 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000344355631 1043717172 /nfs/dbraw/zinc/71/71/72/1043717172.db2.gz TXANOGIRXPCSPI-CQSZACIVSA-N 1 2 346.427 3.564 20 0 EHADLO CCc1noc(CC)c1CNc1nc(C)[nH+]c(C)c1Br ZINC000663706884 1043753321 /nfs/dbraw/zinc/75/33/21/1043753321.db2.gz XQBGOLSWEVUNIZ-UHFFFAOYSA-N 1 2 339.237 3.581 20 0 EHADLO C[C@@H]1CCN(c2cc(Nc3ccccc3)ncn2)C[C@H]1n1cc[nH+]c1 ZINC000663714420 1043788137 /nfs/dbraw/zinc/78/81/37/1043788137.db2.gz UITCRYKNDCVUGT-NVXWUHKLSA-N 1 2 334.427 3.504 20 0 EHADLO C[C@H]1CCN(c2ccc(Nc3ccccc3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000663713982 1043790107 /nfs/dbraw/zinc/79/01/07/1043790107.db2.gz KKBSBQPNPMAQGO-DOTOQJQBSA-N 1 2 334.427 3.504 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637327601 1043824112 /nfs/dbraw/zinc/82/41/12/1043824112.db2.gz UWPZYARERITPBE-MRXNPFEDSA-N 1 2 330.476 3.515 20 0 EHADLO Cc1sc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)nc1C(C)C ZINC000344379517 1043848160 /nfs/dbraw/zinc/84/81/60/1043848160.db2.gz YAVITQOXIAEVNB-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(Br)cn2)sc1C ZINC000344416588 1043983501 /nfs/dbraw/zinc/98/35/01/1043983501.db2.gz IURRIWLYVGUZQN-UHFFFAOYSA-N 1 2 340.290 3.942 20 0 EHADLO CCCCOc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000344516772 1044090637 /nfs/dbraw/zinc/09/06/37/1044090637.db2.gz MKEPKJZHQMKWGX-UHFFFAOYSA-N 1 2 339.483 3.578 20 0 EHADLO CCCCOc1ccccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000344516772 1044090653 /nfs/dbraw/zinc/09/06/53/1044090653.db2.gz MKEPKJZHQMKWGX-UHFFFAOYSA-N 1 2 339.483 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)c(C)c1 ZINC000512244730 1044366869 /nfs/dbraw/zinc/36/68/69/1044366869.db2.gz OOGBXHZWWYLXHG-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOc3ccc(C)cc3C2)c(C)c1 ZINC000512244730 1044366878 /nfs/dbraw/zinc/36/68/78/1044366878.db2.gz OOGBXHZWWYLXHG-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO C[N@H+](CCc1cccc(Cl)c1Cl)Cc1ncnn1CC(F)F ZINC000279680665 1044403137 /nfs/dbraw/zinc/40/31/37/1044403137.db2.gz GOFCPKVOHBOUGR-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO C[N@@H+](CCc1cccc(Cl)c1Cl)Cc1ncnn1CC(F)F ZINC000279680665 1044403142 /nfs/dbraw/zinc/40/31/42/1044403142.db2.gz GOFCPKVOHBOUGR-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO COCC[C@@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccco1 ZINC000663782934 1044455379 /nfs/dbraw/zinc/45/53/79/1044455379.db2.gz CTFMGOQJYHWRAG-LLVKDONJSA-N 1 2 340.221 3.639 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000051324185 1044487012 /nfs/dbraw/zinc/48/70/12/1044487012.db2.gz LDFLWWUVYDUKIT-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000051324185 1044487019 /nfs/dbraw/zinc/48/70/19/1044487019.db2.gz LDFLWWUVYDUKIT-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000051353141 1044491780 /nfs/dbraw/zinc/49/17/80/1044491780.db2.gz RNDBTISFFRRPOF-UHFFFAOYSA-N 1 2 340.452 3.631 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000051353141 1044491786 /nfs/dbraw/zinc/49/17/86/1044491786.db2.gz RNDBTISFFRRPOF-UHFFFAOYSA-N 1 2 340.452 3.631 20 0 EHADLO CCc1nc(C)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000432637072 1044569433 /nfs/dbraw/zinc/56/94/33/1044569433.db2.gz CXZJCFRDIUIWGR-UHFFFAOYSA-N 1 2 348.472 3.698 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CCO2 ZINC000512296606 1044570470 /nfs/dbraw/zinc/57/04/70/1044570470.db2.gz ZITVLKBGHSIENK-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CCO2 ZINC000512296606 1044570483 /nfs/dbraw/zinc/57/04/83/1044570483.db2.gz ZITVLKBGHSIENK-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279815009 1044697016 /nfs/dbraw/zinc/69/70/16/1044697016.db2.gz QFDABCYQVOGMIC-DICRZQGBSA-N 1 2 342.439 3.671 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279815009 1044697022 /nfs/dbraw/zinc/69/70/22/1044697022.db2.gz QFDABCYQVOGMIC-DICRZQGBSA-N 1 2 342.439 3.671 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc(C)ccc1C ZINC000637509833 1044713202 /nfs/dbraw/zinc/71/32/02/1044713202.db2.gz ZBALQLLYWRQPHI-IEBWSBKVSA-N 1 2 340.471 3.998 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc(C)ccc1C ZINC000637509834 1044713376 /nfs/dbraw/zinc/71/33/76/1044713376.db2.gz ZBALQLLYWRQPHI-MJGOQNOKSA-N 1 2 340.471 3.998 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000279854251 1044752429 /nfs/dbraw/zinc/75/24/29/1044752429.db2.gz ILEZHUMOPPNKJU-CYBMUJFWSA-N 1 2 331.847 3.758 20 0 EHADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000620368860 1125557542 /nfs/dbraw/zinc/55/75/42/1125557542.db2.gz UKIQGJWCMDSZPA-KRWDZBQOSA-N 1 2 339.483 3.807 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000153964381 1125678964 /nfs/dbraw/zinc/67/89/64/1125678964.db2.gz MUIUKWRJEPDVFB-ROUUACIJSA-N 1 2 329.488 3.797 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCOCc3ccccc3)n2)cc1 ZINC000154556463 1125730164 /nfs/dbraw/zinc/73/01/64/1125730164.db2.gz ATEIRWCSVQESRR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCOCc3ccccc3)n2)cc1 ZINC000154556463 1125730172 /nfs/dbraw/zinc/73/01/72/1125730172.db2.gz ATEIRWCSVQESRR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cnc21 ZINC000154814460 1125757675 /nfs/dbraw/zinc/75/76/75/1125757675.db2.gz MVWNQBFOGRYDNV-LJQANCHMSA-N 1 2 336.439 3.586 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cnc21 ZINC000154814460 1125757687 /nfs/dbraw/zinc/75/76/87/1125757687.db2.gz MVWNQBFOGRYDNV-LJQANCHMSA-N 1 2 336.439 3.586 20 0 EHADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000155042460 1125778812 /nfs/dbraw/zinc/77/88/12/1125778812.db2.gz ZBOZLBYFYXFNMT-UHFFFAOYSA-N 1 2 342.487 3.969 20 0 EHADLO Cc1sc(C(=O)NC2C[NH+](C(C)C)C2)cc1-c1ccc(F)cc1 ZINC000622524299 1126711127 /nfs/dbraw/zinc/71/11/27/1126711127.db2.gz NVYAVTTWDQGOSJ-UHFFFAOYSA-N 1 2 332.444 3.685 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984730 1126728436 /nfs/dbraw/zinc/72/84/36/1126728436.db2.gz LPIDXPQNJQBANU-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984730 1126728439 /nfs/dbraw/zinc/72/84/39/1126728439.db2.gz LPIDXPQNJQBANU-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973720 1126730103 /nfs/dbraw/zinc/73/01/03/1126730103.db2.gz UZLCFICIPCXEOU-XJKSGUPXSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973720 1126730108 /nfs/dbraw/zinc/73/01/08/1126730108.db2.gz UZLCFICIPCXEOU-XJKSGUPXSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H]([NH2+]CCc1cccnc1)c1cc(Br)cc(F)c1O ZINC000184980472 1126730923 /nfs/dbraw/zinc/73/09/23/1126730923.db2.gz SFLUSDZRHZPQHW-SNVBAGLBSA-N 1 2 339.208 3.582 20 0 EHADLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2C1 ZINC000171345850 1126762580 /nfs/dbraw/zinc/76/25/80/1126762580.db2.gz QKLBJSJANHURTE-UHFFFAOYSA-N 1 2 348.443 3.742 20 0 EHADLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2C1 ZINC000171345850 1126762585 /nfs/dbraw/zinc/76/25/85/1126762585.db2.gz QKLBJSJANHURTE-UHFFFAOYSA-N 1 2 348.443 3.742 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)n1 ZINC000072607938 1126798650 /nfs/dbraw/zinc/79/86/50/1126798650.db2.gz JXFFVJSCQZTJNG-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)n1 ZINC000072607938 1126798654 /nfs/dbraw/zinc/79/86/54/1126798654.db2.gz JXFFVJSCQZTJNG-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO Cn1c[nH+]cc1COc1cc(Br)cc(C(F)(F)F)c1 ZINC000336808204 1126810815 /nfs/dbraw/zinc/81/08/15/1126810815.db2.gz BFHICWDSNLNXIU-UHFFFAOYSA-N 1 2 335.123 3.780 20 0 EHADLO C[C@@H](NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1)c1cccs1 ZINC000671253009 1126819618 /nfs/dbraw/zinc/81/96/18/1126819618.db2.gz JXTXLZFLNMQDMJ-LLVKDONJSA-N 1 2 334.407 3.590 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(Br)cc(F)c1O ZINC000185300205 1126858203 /nfs/dbraw/zinc/85/82/03/1126858203.db2.gz VUOZVWYEYMXLTN-SECBINFHSA-N 1 2 340.192 3.850 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccccc3s2)s1 ZINC000175240596 1126867959 /nfs/dbraw/zinc/86/79/59/1126867959.db2.gz CTVNZOGNGGFLEB-GHMZBOCLSA-N 1 2 346.481 3.739 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000654187502 1126887753 /nfs/dbraw/zinc/88/77/53/1126887753.db2.gz XXQPWOGANHKAMW-UHFFFAOYSA-N 1 2 344.459 3.862 20 0 EHADLO CC(C)C[C@@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000185413584 1126889007 /nfs/dbraw/zinc/88/90/07/1126889007.db2.gz QEHKASRWAJHALU-MRXNPFEDSA-N 1 2 331.504 3.520 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000175965303 1126890607 /nfs/dbraw/zinc/89/06/07/1126890607.db2.gz HDXHBUYIZUHZHF-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000175965303 1126890609 /nfs/dbraw/zinc/89/06/09/1126890609.db2.gz HDXHBUYIZUHZHF-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO CN(Cc1ccc(Cl)cc1Cl)C(=O)CCCn1cc[nH+]c1 ZINC000623243317 1126903678 /nfs/dbraw/zinc/90/36/78/1126903678.db2.gz DPSVQFYFHZULBF-UHFFFAOYSA-N 1 2 326.227 3.629 20 0 EHADLO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000623270780 1126906267 /nfs/dbraw/zinc/90/62/67/1126906267.db2.gz PHFRTHGNXFMPDR-QGZVFWFLSA-N 1 2 343.471 3.588 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(C2CCCCC2)CCCCC1 ZINC000623301840 1126911373 /nfs/dbraw/zinc/91/13/73/1126911373.db2.gz UZIDPAPYADDDHS-KRWDZBQOSA-N 1 2 329.488 3.845 20 0 EHADLO COc1ccc(N(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000623325973 1126917482 /nfs/dbraw/zinc/91/74/82/1126917482.db2.gz UBPMJQRXRJMFOM-HNNXBMFYSA-N 1 2 327.428 3.504 20 0 EHADLO O=C(NCC[C@@H]1CC=CCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000623433408 1126954938 /nfs/dbraw/zinc/95/49/38/1126954938.db2.gz IDRVRXUKACMOOG-QGZVFWFLSA-N 1 2 342.487 3.618 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nc(C3CCCC3)no2)C2CC2)cc1 ZINC000179680304 1127080320 /nfs/dbraw/zinc/08/03/20/1127080320.db2.gz MVJNQBDWWXLWAF-GOSISDBHSA-N 1 2 327.428 3.977 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000179897261 1127098682 /nfs/dbraw/zinc/09/86/82/1127098682.db2.gz QXSRUISYGALOKI-AWEZNQCLSA-N 1 2 330.403 3.740 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(Cl)cc1F ZINC000180261672 1127137706 /nfs/dbraw/zinc/13/77/06/1127137706.db2.gz BJZZJOYZYFJLOU-IAGOWNOFSA-N 1 2 334.822 3.992 20 0 EHADLO COc1ccc[nH+]c1NCCCc1nnc(SC)n1C1CCCC1 ZINC000623836880 1127197950 /nfs/dbraw/zinc/19/79/50/1127197950.db2.gz NLQFBHZZQGZXEB-UHFFFAOYSA-N 1 2 347.488 3.563 20 0 EHADLO COc1ccccc1[C@H](CN[C@H](C)c1nc(C)cs1)[NH+]1CCCC1 ZINC000623850290 1127197398 /nfs/dbraw/zinc/19/73/98/1127197398.db2.gz BQTJXTJKGUSATK-WBVHZDCISA-N 1 2 345.512 3.948 20 0 EHADLO CCc1nc([C@@H]2CCCCN2c2nc3ccccc3n3c[nH+]cc23)no1 ZINC000623878613 1127204435 /nfs/dbraw/zinc/20/44/35/1127204435.db2.gz MDDOFQGCGYTZFV-HNNXBMFYSA-N 1 2 348.410 3.560 20 0 EHADLO Cc1ccccc1-c1nsc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000623937099 1127218887 /nfs/dbraw/zinc/21/88/87/1127218887.db2.gz USHAEKOBBDPMEI-CQSZACIVSA-N 1 2 325.441 3.552 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1Cl ZINC000624017751 1127233757 /nfs/dbraw/zinc/23/37/57/1127233757.db2.gz DVWJICOAFIZERI-KCJUWKMLSA-N 1 2 348.661 3.765 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1Cl ZINC000624017752 1127234008 /nfs/dbraw/zinc/23/40/08/1127234008.db2.gz DVWJICOAFIZERI-KWQFWETISA-N 1 2 348.661 3.765 20 0 EHADLO CCCn1nc(C)c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1C ZINC000181014635 1127264220 /nfs/dbraw/zinc/26/42/20/1127264220.db2.gz RRCFNBFWOIYBRJ-UHFFFAOYSA-N 1 2 325.378 3.959 20 0 EHADLO CCCn1nc(C)c(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1C ZINC000181014635 1127264223 /nfs/dbraw/zinc/26/42/23/1127264223.db2.gz RRCFNBFWOIYBRJ-UHFFFAOYSA-N 1 2 325.378 3.959 20 0 EHADLO Nc1ccnc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000181601009 1127284669 /nfs/dbraw/zinc/28/46/69/1127284669.db2.gz MITUWACSAUENLD-KRWDZBQOSA-N 1 2 338.842 3.786 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(N2CCCC2)c1 ZINC000181866663 1127300199 /nfs/dbraw/zinc/30/01/99/1127300199.db2.gz NLJPWVWXSZAPHA-AWEZNQCLSA-N 1 2 338.411 3.781 20 0 EHADLO Cc1cc(CNC(=O)NCc2csc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000624224237 1127322276 /nfs/dbraw/zinc/32/22/76/1127322276.db2.gz QNYWLVNNIYHQHW-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000186139364 1127329346 /nfs/dbraw/zinc/32/93/46/1127329346.db2.gz FINPBXDHRBPOJJ-ZDUSSCGKSA-N 1 2 348.537 3.933 20 0 EHADLO CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000182966902 1127356611 /nfs/dbraw/zinc/35/66/11/1127356611.db2.gz MWMQXFZRXZUWLM-UHFFFAOYSA-N 1 2 345.324 3.562 20 0 EHADLO COc1ncccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000362953701 1127364421 /nfs/dbraw/zinc/36/44/21/1127364421.db2.gz CAJQVBSCEUMQLG-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ncccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000362953701 1127364425 /nfs/dbraw/zinc/36/44/25/1127364425.db2.gz CAJQVBSCEUMQLG-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO Fc1cc(C[N@@H+]2CCOCC23CCC3)ccc1OCC(F)(F)F ZINC000183356653 1127374258 /nfs/dbraw/zinc/37/42/58/1127374258.db2.gz RATKGDQENMMENW-UHFFFAOYSA-N 1 2 333.325 3.522 20 0 EHADLO Fc1cc(C[N@H+]2CCOCC23CCC3)ccc1OCC(F)(F)F ZINC000183356653 1127374261 /nfs/dbraw/zinc/37/42/61/1127374261.db2.gz RATKGDQENMMENW-UHFFFAOYSA-N 1 2 333.325 3.522 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000184379045 1127402918 /nfs/dbraw/zinc/40/29/18/1127402918.db2.gz UQQUFGJEFSOOLW-HNNXBMFYSA-N 1 2 339.464 3.520 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC000184460477 1127405236 /nfs/dbraw/zinc/40/52/36/1127405236.db2.gz IWSUAHFCQWUWKZ-LBPRGKRZSA-N 1 2 325.522 3.644 20 0 EHADLO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460897 1127405518 /nfs/dbraw/zinc/40/55/18/1127405518.db2.gz TZFYMTNRSPLSHD-LBPRGKRZSA-N 1 2 347.484 3.739 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184473755 1127406058 /nfs/dbraw/zinc/40/60/58/1127406058.db2.gz AYCXAMXHLZNPRH-UONOGXRCSA-N 1 2 345.512 3.969 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Cl)c1ccco1 ZINC000184580336 1127408868 /nfs/dbraw/zinc/40/88/68/1127408868.db2.gz MFZONHTZCHISGP-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C)c1ccco1 ZINC000184608780 1127410186 /nfs/dbraw/zinc/41/01/86/1127410186.db2.gz BJXRMCYLBSXTJJ-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccc(C)o1 ZINC000184672345 1127411418 /nfs/dbraw/zinc/41/14/18/1127411418.db2.gz WFRKPVQWEWTKOJ-KRWDZBQOSA-N 1 2 330.428 3.627 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1nccs1 ZINC000185104421 1127420786 /nfs/dbraw/zinc/42/07/86/1127420786.db2.gz KDYICKLJTJJPEX-HOCLYGCPSA-N 1 2 331.485 3.678 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nc(-c3ccc(C(C)C)cc3)no2)cnn1C ZINC000193139809 1127433883 /nfs/dbraw/zinc/43/38/83/1127433883.db2.gz SRAWCZKFJXRNCN-ZDUSSCGKSA-N 1 2 339.443 3.753 20 0 EHADLO Cc1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc[nH+]1 ZINC001127730115 1127443617 /nfs/dbraw/zinc/44/36/17/1127443617.db2.gz KQDZFBNVPJRAME-UHFFFAOYSA-N 1 2 345.613 3.790 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc2ccccc21 ZINC000194388153 1127458487 /nfs/dbraw/zinc/45/84/87/1127458487.db2.gz NBUNYGINRDOLMJ-CYBMUJFWSA-N 1 2 349.369 3.561 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1CC1CCCC1 ZINC000654492365 1127478561 /nfs/dbraw/zinc/47/85/61/1127478561.db2.gz LMGRDXSLLNGZOQ-QGZVFWFLSA-N 1 2 326.444 3.589 20 0 EHADLO COC(=O)Cc1ccc(NCc2cccc(C(F)(F)F)c2C)[nH+]c1 ZINC001168533839 1127539415 /nfs/dbraw/zinc/53/94/15/1127539415.db2.gz BMVKVXLQZUPICH-UHFFFAOYSA-N 1 2 338.329 3.736 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(O)c1 ZINC000383484235 1127544864 /nfs/dbraw/zinc/54/48/64/1127544864.db2.gz PRQXEFAPYMJWSX-JTQLQIEISA-N 1 2 329.787 3.545 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccccn2)n(CC)c1=S)C1CC1 ZINC000764882014 1127548082 /nfs/dbraw/zinc/54/80/82/1127548082.db2.gz AYNJDZNOZHLEPX-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccccn2)n(CC)c1=S)C1CC1 ZINC000764882014 1127548083 /nfs/dbraw/zinc/54/80/83/1127548083.db2.gz AYNJDZNOZHLEPX-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914512 1127550765 /nfs/dbraw/zinc/55/07/65/1127550765.db2.gz IJFCFRNBMOBHPZ-OAHLLOKOSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914512 1127550767 /nfs/dbraw/zinc/55/07/67/1127550767.db2.gz IJFCFRNBMOBHPZ-OAHLLOKOSA-N 1 2 331.489 3.574 20 0 EHADLO CC(C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC001127835039 1127584264 /nfs/dbraw/zinc/58/42/64/1127584264.db2.gz WPWYLMANGZMALF-QGZVFWFLSA-N 1 2 328.481 3.863 20 0 EHADLO CC(C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC001127835039 1127584268 /nfs/dbraw/zinc/58/42/68/1127584268.db2.gz WPWYLMANGZMALF-QGZVFWFLSA-N 1 2 328.481 3.863 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000542648640 1127588885 /nfs/dbraw/zinc/58/88/85/1127588885.db2.gz HGDJQRJTRQLYTP-HXUWFJFHSA-N 1 2 325.456 3.653 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000542648640 1127588886 /nfs/dbraw/zinc/58/88/86/1127588886.db2.gz HGDJQRJTRQLYTP-HXUWFJFHSA-N 1 2 325.456 3.653 20 0 EHADLO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cncs1 ZINC000765437466 1127611541 /nfs/dbraw/zinc/61/15/41/1127611541.db2.gz MLBRQOYTBBTJIZ-WMLDXEAASA-N 1 2 329.469 3.548 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000012816250 1127643758 /nfs/dbraw/zinc/64/37/58/1127643758.db2.gz SHGNEWGSQWAQDT-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000012816250 1127643760 /nfs/dbraw/zinc/64/37/60/1127643760.db2.gz SHGNEWGSQWAQDT-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)CO1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000888314929 1127644494 /nfs/dbraw/zinc/64/44/94/1127644494.db2.gz UTIKGJRRWUBVSW-OAHLLOKOSA-N 1 2 343.402 3.689 20 0 EHADLO Cc1nc2sc3c(c2c(NCCCn2cc[nH+]c2)n1)CC[C@@H](C)C3 ZINC000015206499 1127651362 /nfs/dbraw/zinc/65/13/62/1127651362.db2.gz GARGTRHBKQVLFB-GFCCVEGCSA-N 1 2 341.484 3.823 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000015442643 1127653785 /nfs/dbraw/zinc/65/37/85/1127653785.db2.gz IODBYHMHPZHYFS-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000015442643 1127653787 /nfs/dbraw/zinc/65/37/87/1127653787.db2.gz IODBYHMHPZHYFS-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000016591539 1127664027 /nfs/dbraw/zinc/66/40/27/1127664027.db2.gz IQBIEGQLTRSNEE-CQSZACIVSA-N 1 2 328.378 3.825 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000016591539 1127664030 /nfs/dbraw/zinc/66/40/30/1127664030.db2.gz IQBIEGQLTRSNEE-CQSZACIVSA-N 1 2 328.378 3.825 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000022291180 1127691338 /nfs/dbraw/zinc/69/13/38/1127691338.db2.gz NGASJAWWRFTVAL-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cccc(C)c1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000765649172 1127718875 /nfs/dbraw/zinc/71/88/75/1127718875.db2.gz NJTSIQVAWQKJTF-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)nn1C ZINC001168552572 1127746893 /nfs/dbraw/zinc/74/68/93/1127746893.db2.gz GRIPSUZFAAYCRZ-SNVBAGLBSA-N 1 2 329.778 3.834 20 0 EHADLO Fc1cccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)oc21 ZINC000351020556 1127757436 /nfs/dbraw/zinc/75/74/36/1127757436.db2.gz DLJNARGJZFBPMD-IUODEOHRSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1cccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)oc21 ZINC000351020556 1127757438 /nfs/dbraw/zinc/75/74/38/1127757438.db2.gz DLJNARGJZFBPMD-IUODEOHRSA-N 1 2 343.358 3.548 20 0 EHADLO NC(=O)[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000028962378 1127792265 /nfs/dbraw/zinc/79/22/65/1127792265.db2.gz FGNBAMDZWVOLOJ-HXUWFJFHSA-N 1 2 334.394 3.731 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000029435404 1127800618 /nfs/dbraw/zinc/80/06/18/1127800618.db2.gz QHAAHHJNNBKIBG-UHFFFAOYSA-N 1 2 345.446 3.967 20 0 EHADLO CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029434360 1127800762 /nfs/dbraw/zinc/80/07/62/1127800762.db2.gz HIILRZLUZOEQIM-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000265593517 1127807400 /nfs/dbraw/zinc/80/74/00/1127807400.db2.gz GRPKHMXQIOGSJH-AWEZNQCLSA-N 1 2 339.464 3.662 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029826295 1127808620 /nfs/dbraw/zinc/80/86/20/1127808620.db2.gz HBCJXKNBLZTBIY-GFCCVEGCSA-N 1 2 330.819 3.594 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029826295 1127808624 /nfs/dbraw/zinc/80/86/24/1127808624.db2.gz HBCJXKNBLZTBIY-GFCCVEGCSA-N 1 2 330.819 3.594 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cccc2)cc1 ZINC000029913816 1127811314 /nfs/dbraw/zinc/81/13/14/1127811314.db2.gz WVDPXMWTXNFWHO-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO Cc1ccccc1SCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030029272 1127814118 /nfs/dbraw/zinc/81/41/18/1127814118.db2.gz GTTCMSVMLGFRRR-SFHVURJKSA-N 1 2 340.492 3.602 20 0 EHADLO Cc1ccccc1SCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030029272 1127814120 /nfs/dbraw/zinc/81/41/20/1127814120.db2.gz GTTCMSVMLGFRRR-SFHVURJKSA-N 1 2 340.492 3.602 20 0 EHADLO C[C@@H](C(=O)N(Cc1ccco1)c1cccc(Cl)c1)[NH+]1CC(C)C1 ZINC000654767679 1127822661 /nfs/dbraw/zinc/82/26/61/1127822661.db2.gz JJZRRNJKVFYPBR-AWEZNQCLSA-N 1 2 332.831 3.806 20 0 EHADLO CC[N@@H+](Cc1ccc(SC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000038450460 1127871166 /nfs/dbraw/zinc/87/11/66/1127871166.db2.gz BTQKNPUBBGMQGP-UHFFFAOYSA-N 1 2 339.464 3.667 20 0 EHADLO CC[N@H+](Cc1ccc(SC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000038450460 1127871174 /nfs/dbraw/zinc/87/11/74/1127871174.db2.gz BTQKNPUBBGMQGP-UHFFFAOYSA-N 1 2 339.464 3.667 20 0 EHADLO CC(C)c1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(C(C)C)c1 ZINC000044246913 1127932452 /nfs/dbraw/zinc/93/24/52/1127932452.db2.gz QGTZLHBSYVSFFL-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000044337178 1127935312 /nfs/dbraw/zinc/93/53/12/1127935312.db2.gz PVDSFBZUTXIPNE-IBGZPJMESA-N 1 2 340.492 3.512 20 0 EHADLO O=C(c1ccc(C(F)(F)F)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000671694209 1127946623 /nfs/dbraw/zinc/94/66/23/1127946623.db2.gz FKGNYPIQBFFJQM-VIFPVBQESA-N 1 2 329.347 3.510 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccsc1 ZINC000045764993 1127959364 /nfs/dbraw/zinc/95/93/64/1127959364.db2.gz KYGHZGDYPDITFK-SFHVURJKSA-N 1 2 337.448 3.970 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1csc2ccccc12 ZINC000046089495 1127968913 /nfs/dbraw/zinc/96/89/13/1127968913.db2.gz GOPNHQZVCJWXBR-UHFFFAOYSA-N 1 2 345.489 3.807 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1csc2ccccc12 ZINC000046089495 1127968916 /nfs/dbraw/zinc/96/89/16/1127968916.db2.gz GOPNHQZVCJWXBR-UHFFFAOYSA-N 1 2 345.489 3.807 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000172449795 1127975494 /nfs/dbraw/zinc/97/54/94/1127975494.db2.gz VHTARQFYSXEUES-INIZCTEOSA-N 1 2 342.443 3.616 20 0 EHADLO O=C(Nc1ccc(F)cc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240438 1128003994 /nfs/dbraw/zinc/00/39/94/1128003994.db2.gz HVYOFRCFXGUZLK-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCc2ccccc21 ZINC000047475791 1128008924 /nfs/dbraw/zinc/00/89/24/1128008924.db2.gz WZPBWNAIHDIUBW-NRFANRHFSA-N 1 2 345.446 3.668 20 0 EHADLO Cc1nc2cc(Nc3ccc[nH+]c3N3CCOCC3)c(C)cc2s1 ZINC001212364731 1128032301 /nfs/dbraw/zinc/03/23/01/1128032301.db2.gz QDGCVBZDEACOLH-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000057264890 1128043431 /nfs/dbraw/zinc/04/34/31/1128043431.db2.gz JIWREQPVSBHHQT-CZUORRHYSA-N 1 2 334.489 3.810 20 0 EHADLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000057376955 1128045949 /nfs/dbraw/zinc/04/59/49/1128045949.db2.gz GXBPAMQLRQTYGF-INIZCTEOSA-N 1 2 334.851 3.767 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1)C(C)C ZINC000347531808 1128047623 /nfs/dbraw/zinc/04/76/23/1128047623.db2.gz VNVUXPXDVXQNHQ-QGZVFWFLSA-N 1 2 341.499 3.881 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1)C(C)C ZINC000347531808 1128047627 /nfs/dbraw/zinc/04/76/27/1128047627.db2.gz VNVUXPXDVXQNHQ-QGZVFWFLSA-N 1 2 341.499 3.881 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3ccccc3)CCC2)c1C ZINC000058956960 1128086005 /nfs/dbraw/zinc/08/60/05/1128086005.db2.gz FLHRRLDXWGMXFU-UHFFFAOYSA-N 1 2 338.451 3.787 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCSc2ccccc2)c1C ZINC000058957634 1128086286 /nfs/dbraw/zinc/08/62/86/1128086286.db2.gz QYXGPEZXMQWIGL-UHFFFAOYSA-N 1 2 344.480 3.848 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000347603609 1128131344 /nfs/dbraw/zinc/13/13/44/1128131344.db2.gz RIRLFDDKTVSOBF-INIZCTEOSA-N 1 2 334.510 3.851 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000347603609 1128131348 /nfs/dbraw/zinc/13/13/48/1128131348.db2.gz RIRLFDDKTVSOBF-INIZCTEOSA-N 1 2 334.510 3.851 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000063605245 1128148917 /nfs/dbraw/zinc/14/89/17/1128148917.db2.gz SDJGYVKKDXVYIB-GOSISDBHSA-N 1 2 332.394 3.664 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cccc2c1OCCCO2 ZINC000347625772 1128150494 /nfs/dbraw/zinc/15/04/94/1128150494.db2.gz CMZPWLXKYYHBIV-UHFFFAOYSA-N 1 2 337.341 3.897 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cccc2c1OCCCO2 ZINC000347625772 1128150497 /nfs/dbraw/zinc/15/04/97/1128150497.db2.gz CMZPWLXKYYHBIV-UHFFFAOYSA-N 1 2 337.341 3.897 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3c(c1)OCCO3)[C@@H]2c1ccccc1 ZINC000064431934 1128168130 /nfs/dbraw/zinc/16/81/30/1128168130.db2.gz WYTRVFWEMGHNIE-JOCHJYFZSA-N 1 2 346.430 3.865 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3c(c1)OCCO3)[C@@H]2c1ccccc1 ZINC000064431934 1128168134 /nfs/dbraw/zinc/16/81/34/1128168134.db2.gz WYTRVFWEMGHNIE-JOCHJYFZSA-N 1 2 346.430 3.865 20 0 EHADLO CCc1ccsc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000064695215 1128173901 /nfs/dbraw/zinc/17/39/01/1128173901.db2.gz WNTLEFFRGQSSMJ-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065533291 1128193155 /nfs/dbraw/zinc/19/31/55/1128193155.db2.gz IRSQYDIUHPSMRG-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065533291 1128193156 /nfs/dbraw/zinc/19/31/56/1128193156.db2.gz IRSQYDIUHPSMRG-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cc(Br)ccc2F)s1 ZINC000065535223 1128193658 /nfs/dbraw/zinc/19/36/58/1128193658.db2.gz IERNNJDKWBMMGE-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cc(Br)ccc2F)s1 ZINC000065535223 1128193660 /nfs/dbraw/zinc/19/36/60/1128193660.db2.gz IERNNJDKWBMMGE-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000068421890 1128266319 /nfs/dbraw/zinc/26/63/19/1128266319.db2.gz JLORDQSQGOHFDI-CVEARBPZSA-N 1 2 343.858 3.847 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420219 1128266346 /nfs/dbraw/zinc/26/63/46/1128266346.db2.gz XBSHOFXYXPNXNV-UHFFFAOYSA-N 1 2 341.386 3.897 20 0 EHADLO Cc1cccc(CSCC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000068419890 1128266409 /nfs/dbraw/zinc/26/64/09/1128266409.db2.gz DXBUHLWZRFKIOJ-UHFFFAOYSA-N 1 2 343.496 3.632 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(-c4ccco4)n[nH]3)c2C1 ZINC000066761089 1128225867 /nfs/dbraw/zinc/22/58/67/1128225867.db2.gz GHDYUQMZPDQGFK-UHFFFAOYSA-N 1 2 336.395 3.648 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(-c4ccco4)n[nH]3)c2C1 ZINC000066761089 1128225872 /nfs/dbraw/zinc/22/58/72/1128225872.db2.gz GHDYUQMZPDQGFK-UHFFFAOYSA-N 1 2 336.395 3.648 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccccc2)n1)C[C@H]1COc2ccccc2O1 ZINC000067126794 1128234558 /nfs/dbraw/zinc/23/45/58/1128234558.db2.gz SLVZWIYHJGJLPG-KRWDZBQOSA-N 1 2 336.391 3.613 20 0 EHADLO C[N@H+](Cc1coc(-c2ccccc2)n1)C[C@H]1COc2ccccc2O1 ZINC000067126794 1128234560 /nfs/dbraw/zinc/23/45/60/1128234560.db2.gz SLVZWIYHJGJLPG-KRWDZBQOSA-N 1 2 336.391 3.613 20 0 EHADLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067523293 1128243011 /nfs/dbraw/zinc/24/30/11/1128243011.db2.gz FDLXKCQAZNRAEL-KRWDZBQOSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1cc(NCCCCNc2cccc[nH+]2)nc(-c2ccccn2)n1 ZINC000068698625 1128272457 /nfs/dbraw/zinc/27/24/57/1128272457.db2.gz AREFZOBTSGHLIS-UHFFFAOYSA-N 1 2 334.427 3.546 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000071063130 1128297814 /nfs/dbraw/zinc/29/78/14/1128297814.db2.gz ZROMSMGXQSCHIA-UHFFFAOYSA-N 1 2 339.370 3.521 20 0 EHADLO CCO[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)C1=CCCC1 ZINC000073012929 1128313515 /nfs/dbraw/zinc/31/35/15/1128313515.db2.gz OJUCAOUCLATLPK-GOSISDBHSA-N 1 2 325.412 3.716 20 0 EHADLO CC(C)C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000073282942 1128319445 /nfs/dbraw/zinc/31/94/45/1128319445.db2.gz VEXBPCTVOFPGRU-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(F)cc2F)c1 ZINC000074043888 1128334206 /nfs/dbraw/zinc/33/42/06/1128334206.db2.gz TYVXDUBRRBBZHF-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO O=C(c1ccc(C(F)F)nc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000654995279 1128372775 /nfs/dbraw/zinc/37/27/75/1128372775.db2.gz GCRHOVZXGBJWHL-UHFFFAOYSA-N 1 2 348.397 3.548 20 0 EHADLO CC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815722 1128382874 /nfs/dbraw/zinc/38/28/74/1128382874.db2.gz XHTDJQAFYTVTJG-LLVKDONJSA-N 1 2 330.653 3.904 20 0 EHADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815722 1128382878 /nfs/dbraw/zinc/38/28/78/1128382878.db2.gz XHTDJQAFYTVTJG-LLVKDONJSA-N 1 2 330.653 3.904 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCc1c(Cl)oc2ccccc21 ZINC000624594985 1128401578 /nfs/dbraw/zinc/40/15/78/1128401578.db2.gz NKNSKKUDKLHVAS-UHFFFAOYSA-N 1 2 346.818 3.514 20 0 EHADLO CNc1ccc(Nc2cc(Br)c(Cl)cc2N)c[nH+]1 ZINC001203462159 1128436972 /nfs/dbraw/zinc/43/69/72/1128436972.db2.gz KSARGCAEISFXKZ-UHFFFAOYSA-N 1 2 327.613 3.865 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn(C)nc3C3CC3)cc2)[nH+]c1C ZINC000921657220 1128438572 /nfs/dbraw/zinc/43/85/72/1128438572.db2.gz YIVMWVLRIYFZHV-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921662162 1128440427 /nfs/dbraw/zinc/44/04/27/1128440427.db2.gz UOTKAWDTPBGCCV-UHFFFAOYSA-N 1 2 337.427 3.605 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCCC(F)(F)C1 ZINC000282292469 1128511969 /nfs/dbraw/zinc/51/19/69/1128511969.db2.gz WLOMUNRVMXCGTE-AWEZNQCLSA-N 1 2 349.381 3.726 20 0 EHADLO CC(C)CO[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388398 1128515959 /nfs/dbraw/zinc/51/59/59/1128515959.db2.gz ILMQODWCWKMYAA-HNNXBMFYSA-N 1 2 341.455 3.886 20 0 EHADLO CC(C)CC1(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000428832727 1128521995 /nfs/dbraw/zinc/52/19/95/1128521995.db2.gz WXAXBEJPANCAJW-UHFFFAOYSA-N 1 2 346.519 3.967 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)cn2c1 ZINC000542680573 1128533311 /nfs/dbraw/zinc/53/33/11/1128533311.db2.gz BOCSYFRJNYHISU-ARFHVFGLSA-N 1 2 345.512 3.817 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)c(OC(F)F)c1 ZINC000353407175 1128564643 /nfs/dbraw/zinc/56/46/43/1128564643.db2.gz RBEVVLZCRGPZNQ-LLVKDONJSA-N 1 2 325.359 3.651 20 0 EHADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCCC1 ZINC000056894880 1128594725 /nfs/dbraw/zinc/59/47/25/1128594725.db2.gz RSLOOXBANUXENR-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccccc2F)on1 ZINC000057496912 1128646462 /nfs/dbraw/zinc/64/64/62/1128646462.db2.gz KCSWLDACWKZWFX-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428837098 1128669260 /nfs/dbraw/zinc/66/92/60/1128669260.db2.gz WDTBCPDMUSUZPP-INIZCTEOSA-N 1 2 334.508 3.967 20 0 EHADLO Brc1ccc2[nH+]ccn2c1N[C@@H]1CCCc2cccnc21 ZINC001168659266 1128719270 /nfs/dbraw/zinc/71/92/70/1128719270.db2.gz NRFDJLHRCAAAPS-CYBMUJFWSA-N 1 2 343.228 3.981 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1F ZINC000921767260 1128744984 /nfs/dbraw/zinc/74/49/84/1128744984.db2.gz PLFROYYZIAFDRZ-LLVKDONJSA-N 1 2 330.176 3.691 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(CCSc2ccncc2)CC1 ZINC000929244408 1128767280 /nfs/dbraw/zinc/76/72/80/1128767280.db2.gz VQAZKAWALZABJF-DAXSKMNVSA-N 1 2 339.508 3.505 20 0 EHADLO Fc1ccccc1SCC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428842600 1128776215 /nfs/dbraw/zinc/77/62/15/1128776215.db2.gz RNDNPIJZGNFFAW-UHFFFAOYSA-N 1 2 346.475 3.683 20 0 EHADLO Fc1ccccc1SCC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428842600 1128776218 /nfs/dbraw/zinc/77/62/18/1128776218.db2.gz RNDNPIJZGNFFAW-UHFFFAOYSA-N 1 2 346.475 3.683 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000542913586 1128834852 /nfs/dbraw/zinc/83/48/52/1128834852.db2.gz NYBKXGDLLASVKB-SFHVURJKSA-N 1 2 340.398 3.866 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075744473 1128878492 /nfs/dbraw/zinc/87/84/92/1128878492.db2.gz WOKKFLYWFMNLCV-CYBMUJFWSA-N 1 2 325.334 3.684 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075744473 1128878497 /nfs/dbraw/zinc/87/84/97/1128878497.db2.gz WOKKFLYWFMNLCV-CYBMUJFWSA-N 1 2 325.334 3.684 20 0 EHADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC001167276926 1120041768 /nfs/dbraw/zinc/04/17/68/1120041768.db2.gz YYMLKJGPWYXQLD-WCQYABFASA-N 1 2 328.239 3.551 20 0 EHADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC001167276926 1120041774 /nfs/dbraw/zinc/04/17/74/1120041774.db2.gz YYMLKJGPWYXQLD-WCQYABFASA-N 1 2 328.239 3.551 20 0 EHADLO COc1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c(F)c1 ZINC001648807608 1120044924 /nfs/dbraw/zinc/04/49/24/1120044924.db2.gz ICYHOVOVJLMZTG-UHFFFAOYSA-N 1 2 337.354 3.647 20 0 EHADLO CNc1cc(CNC(=O)Nc2ccc(-c3ccccn3)cc2)cc[nH+]1 ZINC001670699167 1120103950 /nfs/dbraw/zinc/10/39/50/1120103950.db2.gz FXVZDTXICJVKCQ-UHFFFAOYSA-N 1 2 333.395 3.507 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC001687208192 1120112792 /nfs/dbraw/zinc/11/27/92/1120112792.db2.gz CAPDHODOWRNKSE-MRXNPFEDSA-N 1 2 344.846 3.524 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3ccn(C4CCCC4)n3)c1)O[C@H](C)C2 ZINC000129060947 1120140895 /nfs/dbraw/zinc/14/08/95/1120140895.db2.gz PIJBXGCKBMZROZ-CQSZACIVSA-N 1 2 341.455 3.620 20 0 EHADLO O=C(C[N@@H+]1CCSC2(CCCCC2)C1)Nc1ccc(F)cc1F ZINC000430773225 1120142947 /nfs/dbraw/zinc/14/29/47/1120142947.db2.gz RKXXDTBYGLBNIS-UHFFFAOYSA-N 1 2 340.439 3.655 20 0 EHADLO O=C(C[N@H+]1CCSC2(CCCCC2)C1)Nc1ccc(F)cc1F ZINC000430773225 1120142951 /nfs/dbraw/zinc/14/29/51/1120142951.db2.gz RKXXDTBYGLBNIS-UHFFFAOYSA-N 1 2 340.439 3.655 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687360882 1120176068 /nfs/dbraw/zinc/17/60/68/1120176068.db2.gz LMHTWCDYDYITIJ-BSIFCXSSSA-N 1 2 349.478 3.761 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687360882 1120176072 /nfs/dbraw/zinc/17/60/72/1120176072.db2.gz LMHTWCDYDYITIJ-BSIFCXSSSA-N 1 2 349.478 3.761 20 0 EHADLO CC1(C)CC=C(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000454460963 1120331613 /nfs/dbraw/zinc/33/16/13/1120331613.db2.gz JGRMMSGFCBOGIO-UHFFFAOYSA-N 1 2 337.467 3.727 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000185321344 1120408352 /nfs/dbraw/zinc/40/83/52/1120408352.db2.gz GOLOYYAPJPZMQX-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000185321344 1120408356 /nfs/dbraw/zinc/40/83/56/1120408356.db2.gz GOLOYYAPJPZMQX-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000185314378 1120408801 /nfs/dbraw/zinc/40/88/01/1120408801.db2.gz ZLOMUHJIPAGGKU-ZDUSSCGKSA-N 1 2 333.382 3.995 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000185314378 1120408805 /nfs/dbraw/zinc/40/88/05/1120408805.db2.gz ZLOMUHJIPAGGKU-ZDUSSCGKSA-N 1 2 333.382 3.995 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1CNc1[nH+]cnc2c1cnn2C ZINC000185362783 1120411166 /nfs/dbraw/zinc/41/11/66/1120411166.db2.gz ZSLYGBWEIQWFQW-UHFFFAOYSA-N 1 2 347.422 3.916 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000185584818 1120420522 /nfs/dbraw/zinc/42/05/22/1120420522.db2.gz CKCRMWBMGLUOBX-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000185584818 1120420528 /nfs/dbraw/zinc/42/05/28/1120420528.db2.gz CKCRMWBMGLUOBX-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO Brc1cncc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000186614883 1120468410 /nfs/dbraw/zinc/46/84/10/1120468410.db2.gz IFDOFNWEJHEJPT-UHFFFAOYSA-N 1 2 344.212 3.789 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cn[nH]c1 ZINC000494647773 1120712284 /nfs/dbraw/zinc/71/22/84/1120712284.db2.gz JDHNQXNBVNPGBX-QMMMGPOBSA-N 1 2 338.198 3.617 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccncc1C(F)(F)F ZINC000192164483 1120721600 /nfs/dbraw/zinc/72/16/00/1120721600.db2.gz FJUJFQCVARAUIH-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)CCS1 ZINC000192182129 1120722881 /nfs/dbraw/zinc/72/28/81/1120722881.db2.gz DCOFLVKSEPVPCT-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)CCS1 ZINC000192182129 1120722885 /nfs/dbraw/zinc/72/28/85/1120722885.db2.gz DCOFLVKSEPVPCT-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000494701970 1120725918 /nfs/dbraw/zinc/72/59/18/1120725918.db2.gz IDCFMHIYRLVROJ-OAHLLOKOSA-N 1 2 332.400 3.674 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(C(C)C)s1 ZINC000192256270 1120727817 /nfs/dbraw/zinc/72/78/17/1120727817.db2.gz DDGWPHMLYXSLOM-UHFFFAOYSA-N 1 2 334.489 3.578 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC000192247895 1120728163 /nfs/dbraw/zinc/72/81/63/1120728163.db2.gz PTZCDWAYNBUARD-UHFFFAOYSA-N 1 2 341.499 3.852 20 0 EHADLO COc1c(C)c[nH+]c(CN2CC3(CCOCC3)c3ccccc32)c1C ZINC000192284737 1120729083 /nfs/dbraw/zinc/72/90/83/1120729083.db2.gz OKZDFIQBVOZFJP-UHFFFAOYSA-N 1 2 338.451 3.775 20 0 EHADLO Fc1cccc(Br)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000192494312 1120736459 /nfs/dbraw/zinc/73/64/59/1120736459.db2.gz KYZQGQQVCDOJSA-UHFFFAOYSA-N 1 2 338.176 3.607 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000192671937 1120741987 /nfs/dbraw/zinc/74/19/87/1120741987.db2.gz USRDZVCVNBBNKA-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000192671937 1120741992 /nfs/dbraw/zinc/74/19/92/1120741992.db2.gz USRDZVCVNBBNKA-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000356009483 1128939816 /nfs/dbraw/zinc/93/98/16/1128939816.db2.gz YEOMFOJCDNRERF-UHFFFAOYSA-N 1 2 329.787 3.822 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000356009483 1128939819 /nfs/dbraw/zinc/93/98/19/1128939819.db2.gz YEOMFOJCDNRERF-UHFFFAOYSA-N 1 2 329.787 3.822 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747124 1120795310 /nfs/dbraw/zinc/79/53/10/1120795310.db2.gz GIPQPTZVYJGNKU-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747124 1120795314 /nfs/dbraw/zinc/79/53/14/1120795314.db2.gz GIPQPTZVYJGNKU-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCCC[C@@H]3C)cn2c1 ZINC000195668931 1120805643 /nfs/dbraw/zinc/80/56/43/1120805643.db2.gz CIYSVUASTJKYFM-HOTGVXAUSA-N 1 2 345.512 3.818 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCCC[C@H]3C)cn2c1 ZINC000195668935 1120805722 /nfs/dbraw/zinc/80/57/22/1120805722.db2.gz CIYSVUASTJKYFM-HZPDHXFCSA-N 1 2 345.512 3.818 20 0 EHADLO FC(F)Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000112709869 1128945021 /nfs/dbraw/zinc/94/50/21/1128945021.db2.gz PKEJWWLFZMONHO-UHFFFAOYSA-N 1 2 341.741 3.960 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)on1 ZINC000741259409 1120871716 /nfs/dbraw/zinc/87/17/16/1120871716.db2.gz YFUQNAZIUSCFRF-UHFFFAOYSA-N 1 2 348.809 3.813 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)C(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000494824966 1120874843 /nfs/dbraw/zinc/87/48/43/1120874843.db2.gz UGXQYYOBIJODOX-ZIAGYGMSSA-N 1 2 348.397 3.620 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000542517159 1120880378 /nfs/dbraw/zinc/88/03/78/1120880378.db2.gz NVFRVULKFUEQIZ-DTWKUNHWSA-N 1 2 348.082 3.837 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncc(Br)cc1Br ZINC000542517159 1120880380 /nfs/dbraw/zinc/88/03/80/1120880380.db2.gz NVFRVULKFUEQIZ-DTWKUNHWSA-N 1 2 348.082 3.837 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCCOCc3ccccc3)CCO2)cc1F ZINC000542520524 1120897035 /nfs/dbraw/zinc/89/70/35/1120897035.db2.gz IWELSHYSFAPTJN-FQEVSTJZSA-N 1 2 347.405 3.945 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)cc1F ZINC000542520524 1120897040 /nfs/dbraw/zinc/89/70/40/1120897040.db2.gz IWELSHYSFAPTJN-FQEVSTJZSA-N 1 2 347.405 3.945 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](CC)c2nccs2)cc1 ZINC000542521563 1120900291 /nfs/dbraw/zinc/90/02/91/1120900291.db2.gz ODTPPBZKHUISLK-CJNGLKHVSA-N 1 2 331.485 3.624 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=S)o2)cs1 ZINC000914568427 1120902818 /nfs/dbraw/zinc/90/28/18/1120902818.db2.gz IBPAIVUWTZDVON-SNVBAGLBSA-N 1 2 340.518 3.885 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=S)o2)cs1 ZINC000914568427 1120902820 /nfs/dbraw/zinc/90/28/20/1120902820.db2.gz IBPAIVUWTZDVON-SNVBAGLBSA-N 1 2 340.518 3.885 20 0 EHADLO CC(C)c1cnc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000494929273 1120908133 /nfs/dbraw/zinc/90/81/33/1120908133.db2.gz JSCAGHVWVYOGIM-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837662 1120908763 /nfs/dbraw/zinc/90/87/63/1120908763.db2.gz OOMYKXWRPYRJHZ-AAEUAGOBSA-N 1 2 338.238 3.998 20 0 EHADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837662 1120908768 /nfs/dbraw/zinc/90/87/68/1120908768.db2.gz OOMYKXWRPYRJHZ-AAEUAGOBSA-N 1 2 338.238 3.998 20 0 EHADLO Brc1cccc2c1C[N@H+](C/C=C/c1ccncc1)CC2 ZINC000494948815 1120910637 /nfs/dbraw/zinc/91/06/37/1120910637.db2.gz CUMCUVMDRSXVSZ-NSCUHMNNSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1cccc2c1C[N@@H+](C/C=C/c1ccncc1)CC2 ZINC000494948815 1120910639 /nfs/dbraw/zinc/91/06/39/1120910639.db2.gz CUMCUVMDRSXVSZ-NSCUHMNNSA-N 1 2 329.241 3.916 20 0 EHADLO CCCCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000914601313 1120922196 /nfs/dbraw/zinc/92/21/96/1120922196.db2.gz TYCAUIJTCKZXOG-INIZCTEOSA-N 1 2 332.492 3.840 20 0 EHADLO O=C1CCc2cc(NCc3cc(-n4cc[nH+]c4)cs3)c(F)cc2N1 ZINC000495168707 1120978099 /nfs/dbraw/zinc/97/80/99/1120978099.db2.gz RJFRYWMFVQVSPV-UHFFFAOYSA-N 1 2 342.399 3.570 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230309501 1121001026 /nfs/dbraw/zinc/00/10/26/1121001026.db2.gz XEBIUAHHAFVRFN-UHFFFAOYSA-N 1 2 331.160 3.622 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377336 1121002606 /nfs/dbraw/zinc/00/26/06/1121002606.db2.gz JCLVAVAGENWFFD-MNOVXSKESA-N 1 2 348.231 3.853 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377336 1121002610 /nfs/dbraw/zinc/00/26/10/1121002610.db2.gz JCLVAVAGENWFFD-MNOVXSKESA-N 1 2 348.231 3.853 20 0 EHADLO C[C@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000232399236 1121112486 /nfs/dbraw/zinc/11/24/86/1121112486.db2.gz GEDKJLSRIZTMHK-NXEZZACHSA-N 1 2 331.243 3.663 20 0 EHADLO O=C(CC1CCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000303482248 1121152174 /nfs/dbraw/zinc/15/21/74/1121152174.db2.gz KKYCALRMZUUNMD-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(CC1CCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000303482248 1121152177 /nfs/dbraw/zinc/15/21/77/1121152177.db2.gz KKYCALRMZUUNMD-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NCC2CCCCC2)cc1 ZINC000303702302 1121174781 /nfs/dbraw/zinc/17/47/81/1121174781.db2.gz XJZRKLXHCVLGLP-IBGZPJMESA-N 1 2 346.540 3.781 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NCC2CCCCC2)cc1 ZINC000303702302 1121174784 /nfs/dbraw/zinc/17/47/84/1121174784.db2.gz XJZRKLXHCVLGLP-IBGZPJMESA-N 1 2 346.540 3.781 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000762498859 1121328075 /nfs/dbraw/zinc/32/80/75/1121328075.db2.gz ZYQULVITTJIKAV-PXNSSMCTSA-N 1 2 337.467 3.911 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000762498859 1121328085 /nfs/dbraw/zinc/32/80/85/1121328085.db2.gz ZYQULVITTJIKAV-PXNSSMCTSA-N 1 2 337.467 3.911 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000762499810 1121328431 /nfs/dbraw/zinc/32/84/31/1121328431.db2.gz APMWRRNGTZGJPH-KRWDZBQOSA-N 1 2 330.859 3.645 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000762499810 1121328440 /nfs/dbraw/zinc/32/84/40/1121328440.db2.gz APMWRRNGTZGJPH-KRWDZBQOSA-N 1 2 330.859 3.645 20 0 EHADLO CCCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000915316979 1121334406 /nfs/dbraw/zinc/33/44/06/1121334406.db2.gz VWAATHNPJWMHOE-UHFFFAOYSA-N 1 2 338.455 3.956 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000915360625 1121359361 /nfs/dbraw/zinc/35/93/61/1121359361.db2.gz ILPVUJLZGDLQLV-ZDUSSCGKSA-N 1 2 341.789 3.975 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000915360625 1121359371 /nfs/dbraw/zinc/35/93/71/1121359371.db2.gz ILPVUJLZGDLQLV-ZDUSSCGKSA-N 1 2 341.789 3.975 20 0 EHADLO Fc1ccc(-c2nc(C[NH2+]Cc3cccc4c3OCO4)cs2)cc1 ZINC000237933335 1121499543 /nfs/dbraw/zinc/49/95/43/1121499543.db2.gz HOCNUAGSJSIQCD-UHFFFAOYSA-N 1 2 342.395 3.968 20 0 EHADLO CNc1ccc(Nc2ccnn2-c2ccccc2Br)c[nH+]1 ZINC001203452960 1121525766 /nfs/dbraw/zinc/52/57/66/1121525766.db2.gz UTSDYKSOUZFUGY-UHFFFAOYSA-N 1 2 344.216 3.815 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)cc1 ZINC000915677898 1121580680 /nfs/dbraw/zinc/58/06/80/1121580680.db2.gz DHASGZRFYIIHAB-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)cc1 ZINC000915677898 1121580684 /nfs/dbraw/zinc/58/06/84/1121580684.db2.gz DHASGZRFYIIHAB-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749938292 1121596366 /nfs/dbraw/zinc/59/63/66/1121596366.db2.gz REBKEXGROJEGFV-JKSUJKDBSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749938292 1121596373 /nfs/dbraw/zinc/59/63/73/1121596373.db2.gz REBKEXGROJEGFV-JKSUJKDBSA-N 1 2 340.389 3.886 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000393501395 1121642301 /nfs/dbraw/zinc/64/23/01/1121642301.db2.gz JQCXSWFPZMMKLG-VIFPVBQESA-N 1 2 326.897 3.987 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000762991344 1121642312 /nfs/dbraw/zinc/64/23/12/1121642312.db2.gz QZNKAHSFYAGJGD-LBPRGKRZSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000762991344 1121642314 /nfs/dbraw/zinc/64/23/14/1121642314.db2.gz QZNKAHSFYAGJGD-LBPRGKRZSA-N 1 2 346.418 3.744 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000763117112 1121696589 /nfs/dbraw/zinc/69/65/89/1121696589.db2.gz VDQFHSHRPJTPRC-UHFFFAOYSA-N 1 2 343.386 3.955 20 0 EHADLO O=C(c1cc(F)cc(Nc2ccn3cc[nH+]c3c2)c1)N1CCCCC1 ZINC001212209819 1121736110 /nfs/dbraw/zinc/73/61/10/1121736110.db2.gz UGMWYNSJVHTIPE-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)C1 ZINC000054277419 1121747535 /nfs/dbraw/zinc/74/75/35/1121747535.db2.gz ULLXJKPCZNHPFS-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)C1 ZINC000054277419 1121747541 /nfs/dbraw/zinc/74/75/41/1121747541.db2.gz ULLXJKPCZNHPFS-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000356802469 1129010137 /nfs/dbraw/zinc/01/01/37/1129010137.db2.gz PAFJNGDDJDGCNQ-SFHVURJKSA-N 1 2 337.448 3.570 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(OCC2CC2)cc1 ZINC000055695845 1121857609 /nfs/dbraw/zinc/85/76/09/1121857609.db2.gz FKXXKEBSNVPQII-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000194403168 1121880411 /nfs/dbraw/zinc/88/04/11/1121880411.db2.gz BZIZVHXZKYUIGI-IIBYNOLFSA-N 1 2 339.435 3.730 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000194403168 1121880418 /nfs/dbraw/zinc/88/04/18/1121880418.db2.gz BZIZVHXZKYUIGI-IIBYNOLFSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000670272774 1121913563 /nfs/dbraw/zinc/91/35/63/1121913563.db2.gz IRPXYTLYSPGPSP-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000670272774 1121913568 /nfs/dbraw/zinc/91/35/68/1121913568.db2.gz IRPXYTLYSPGPSP-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO CCCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000915885328 1121956928 /nfs/dbraw/zinc/95/69/28/1121956928.db2.gz DDELQOCRBPAITB-MRXNPFEDSA-N 1 2 332.492 3.840 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccn3cc[nH+]c3c2)c(OC)c1 ZINC001212466606 1129024111 /nfs/dbraw/zinc/02/41/11/1129024111.db2.gz QSERBMUVQSKYSX-UHFFFAOYSA-N 1 2 338.411 3.569 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023266 1122024487 /nfs/dbraw/zinc/02/44/87/1122024487.db2.gz IZXKZBBUEDEUMY-RDJZCZTQSA-N 1 2 346.544 3.615 20 0 EHADLO Cc1cc(N)nc(SCc2ccc(OCC(F)(F)F)cc2)[nH+]1 ZINC000077432281 1129029839 /nfs/dbraw/zinc/02/98/39/1129029839.db2.gz OIEUHWJQKLCLRT-UHFFFAOYSA-N 1 2 329.347 3.601 20 0 EHADLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC(CC(F)F)C2)s1 ZINC000496494963 1122099033 /nfs/dbraw/zinc/09/90/33/1122099033.db2.gz SEXJCAOXPWKICQ-UHFFFAOYSA-N 1 2 333.404 3.577 20 0 EHADLO O=C(/C=C\c1ccccc1F)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916441967 1122155000 /nfs/dbraw/zinc/15/50/00/1122155000.db2.gz DEQMRKYDQAFCBB-HJWRWDBZSA-N 1 2 339.414 3.541 20 0 EHADLO CCc1nc(C)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000496824130 1122187055 /nfs/dbraw/zinc/18/70/55/1122187055.db2.gz XTYBSMKYQGPXIO-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO CCc1nc(C)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000496824130 1122187060 /nfs/dbraw/zinc/18/70/60/1122187060.db2.gz XTYBSMKYQGPXIO-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO C[N@H+](Cc1nc(-c2ccnc(C(F)(F)F)c2)no1)Cc1ccccc1 ZINC000347474211 1122224286 /nfs/dbraw/zinc/22/42/86/1122224286.db2.gz UHOXVWRKOCTSOH-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccnc(C(F)(F)F)c2)no1)Cc1ccccc1 ZINC000347474211 1122224290 /nfs/dbraw/zinc/22/42/90/1122224290.db2.gz UHOXVWRKOCTSOH-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO Cc1ccc2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)ccc2n1 ZINC000124318842 1122281164 /nfs/dbraw/zinc/28/11/64/1122281164.db2.gz OQRNDZGSEFIYHS-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CC(C)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000125060527 1122303100 /nfs/dbraw/zinc/30/31/00/1122303100.db2.gz LDDCEWCIVTXBKN-UHFFFAOYSA-N 1 2 346.519 3.668 20 0 EHADLO CCc1nc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000497255414 1122423415 /nfs/dbraw/zinc/42/34/15/1122423415.db2.gz ZEUOAVWLMINATH-CYBMUJFWSA-N 1 2 345.468 3.855 20 0 EHADLO CCc1nc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000497255414 1122423416 /nfs/dbraw/zinc/42/34/16/1122423416.db2.gz ZEUOAVWLMINATH-CYBMUJFWSA-N 1 2 345.468 3.855 20 0 EHADLO CSc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000126998777 1122456093 /nfs/dbraw/zinc/45/60/93/1122456093.db2.gz VHEFZVJKDIRXIV-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO c1nc(C2CC2)sc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000127319100 1122476888 /nfs/dbraw/zinc/47/68/88/1122476888.db2.gz DXCHAYXHZOAFAV-UHFFFAOYSA-N 1 2 327.497 3.728 20 0 EHADLO c1nc(C2CC2)sc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000127319100 1122476891 /nfs/dbraw/zinc/47/68/91/1122476891.db2.gz DXCHAYXHZOAFAV-UHFFFAOYSA-N 1 2 327.497 3.728 20 0 EHADLO C[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000127444983 1122484779 /nfs/dbraw/zinc/48/47/79/1122484779.db2.gz NWRQMNSMYZNYQU-SNVBAGLBSA-N 1 2 345.752 3.621 20 0 EHADLO CCc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067557445 1122521201 /nfs/dbraw/zinc/52/12/01/1122521201.db2.gz UEHSRIMCHQWOKQ-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067646128 1122525629 /nfs/dbraw/zinc/52/56/29/1122525629.db2.gz XGINJSLCUJBETQ-UHFFFAOYSA-N 1 2 346.450 3.835 20 0 EHADLO O=C(/C=C/c1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067680694 1122528384 /nfs/dbraw/zinc/52/83/84/1122528384.db2.gz JVRFJDGUPDKDNV-ZHACJKMWSA-N 1 2 333.391 3.614 20 0 EHADLO O=C(/C=C\c1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000917403212 1122597036 /nfs/dbraw/zinc/59/70/36/1122597036.db2.gz UZRPPETYXVFSLM-DAXSKMNVSA-N 1 2 325.318 3.802 20 0 EHADLO Cc1cccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000056114877 1122620143 /nfs/dbraw/zinc/62/01/43/1122620143.db2.gz DUZMYYNFXBTVNR-UHFFFAOYSA-N 1 2 335.382 3.990 20 0 EHADLO C[C@H](c1ccccn1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000068475282 1122654529 /nfs/dbraw/zinc/65/45/29/1122654529.db2.gz ZFIHHUPMMZQCRX-YCABEKBOSA-N 1 2 332.407 3.500 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000128899181 1122689889 /nfs/dbraw/zinc/68/98/89/1122689889.db2.gz VKKNVJYGKVQGFB-MRXNPFEDSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917874955 1122702128 /nfs/dbraw/zinc/70/21/28/1122702128.db2.gz UJPCHXFQLYROPU-RAXLEYEMSA-N 1 2 339.420 3.593 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(N(C)C)cc1 ZINC000917937480 1122713500 /nfs/dbraw/zinc/71/35/00/1122713500.db2.gz CETSXZZUWHUTEZ-CHWSQXEVSA-N 1 2 347.409 3.709 20 0 EHADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000068945940 1122730525 /nfs/dbraw/zinc/73/05/25/1122730525.db2.gz MUKAPABXROOHFD-UHFFFAOYSA-N 1 2 337.489 3.510 20 0 EHADLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1F ZINC000069057236 1122748534 /nfs/dbraw/zinc/74/85/34/1122748534.db2.gz ORICTLNOOZRQTA-HILYYZTDSA-N 1 2 344.474 3.731 20 0 EHADLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccccc1F ZINC000069057236 1122748538 /nfs/dbraw/zinc/74/85/38/1122748538.db2.gz ORICTLNOOZRQTA-HILYYZTDSA-N 1 2 344.474 3.731 20 0 EHADLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1F ZINC000069057237 1122748865 /nfs/dbraw/zinc/74/88/65/1122748865.db2.gz ORICTLNOOZRQTA-LFPRZYRFSA-N 1 2 344.474 3.731 20 0 EHADLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccccc1F ZINC000069057237 1122748869 /nfs/dbraw/zinc/74/88/69/1122748869.db2.gz ORICTLNOOZRQTA-LFPRZYRFSA-N 1 2 344.474 3.731 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000069069127 1122749919 /nfs/dbraw/zinc/74/99/19/1122749919.db2.gz WPUXZKARIGPMGL-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000069069127 1122749925 /nfs/dbraw/zinc/74/99/25/1122749925.db2.gz WPUXZKARIGPMGL-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000556076537 1122803779 /nfs/dbraw/zinc/80/37/79/1122803779.db2.gz MBUPDFOUEKESFU-YVEFUNNKSA-N 1 2 328.366 3.566 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000444879405 1122853886 /nfs/dbraw/zinc/85/38/86/1122853886.db2.gz QBXLNZVYBHQWPG-WNRNVDISSA-N 1 2 344.503 3.668 20 0 EHADLO COc1ccc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c(F)c1 ZINC000924017223 1122898594 /nfs/dbraw/zinc/89/85/94/1122898594.db2.gz RRFPNUNPRICJFM-INIZCTEOSA-N 1 2 344.390 3.640 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](Cc2ccccc2OC)C2CC2)o1 ZINC000130179408 1122906727 /nfs/dbraw/zinc/90/67/27/1122906727.db2.gz NRQHXOHCBLPTJG-UHFFFAOYSA-N 1 2 329.396 3.630 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2OC)C2CC2)o1 ZINC000130179408 1122906730 /nfs/dbraw/zinc/90/67/30/1122906730.db2.gz NRQHXOHCBLPTJG-UHFFFAOYSA-N 1 2 329.396 3.630 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000130740588 1122991238 /nfs/dbraw/zinc/99/12/38/1122991238.db2.gz MALZWUHEVGWTGL-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000130740588 1122991242 /nfs/dbraw/zinc/99/12/42/1122991242.db2.gz MALZWUHEVGWTGL-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000498628636 1122997916 /nfs/dbraw/zinc/99/79/16/1122997916.db2.gz WMJSYTQXFZUXER-JXFKEZNVSA-N 1 2 341.451 3.563 20 0 EHADLO Cc1cc(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000071858218 1123018646 /nfs/dbraw/zinc/01/86/46/1123018646.db2.gz VPRGPMXPVZBYKN-UHFFFAOYSA-N 1 2 328.224 3.649 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000071958747 1123029175 /nfs/dbraw/zinc/02/91/75/1123029175.db2.gz HJLYLTVCJGJJAS-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000071958747 1123029179 /nfs/dbraw/zinc/02/91/79/1123029179.db2.gz HJLYLTVCJGJJAS-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000556618571 1123062675 /nfs/dbraw/zinc/06/26/75/1123062675.db2.gz BOSLEVMOCXWNAU-GOSISDBHSA-N 1 2 346.833 3.931 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000556618571 1123062680 /nfs/dbraw/zinc/06/26/80/1123062680.db2.gz BOSLEVMOCXWNAU-GOSISDBHSA-N 1 2 346.833 3.931 20 0 EHADLO Fc1cccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccn2)c1 ZINC000556785327 1123124737 /nfs/dbraw/zinc/12/47/37/1123124737.db2.gz UOXDIWBDMOWSOE-IBGZPJMESA-N 1 2 334.398 3.767 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)cc(F)c1O ZINC001212484133 1129103086 /nfs/dbraw/zinc/10/30/86/1129103086.db2.gz LRXKQPRGYLZCLW-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)n1 ZINC000131914595 1123189191 /nfs/dbraw/zinc/18/91/91/1123189191.db2.gz WOZPMVATXIDYKX-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCSCC1 ZINC000132324198 1123219230 /nfs/dbraw/zinc/21/92/30/1123219230.db2.gz SAPCAOCXAGKSLR-OAHLLOKOSA-N 1 2 348.512 3.522 20 0 EHADLO CCc1ccc(C[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)o1 ZINC000132342858 1123219790 /nfs/dbraw/zinc/21/97/90/1123219790.db2.gz ZYSMONVOUBKJFL-INIZCTEOSA-N 1 2 326.400 3.774 20 0 EHADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000132445803 1123229921 /nfs/dbraw/zinc/22/99/21/1123229921.db2.gz UORVZWPZCFMMNQ-NRFANRHFSA-N 1 2 343.279 3.628 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000132445803 1123229923 /nfs/dbraw/zinc/22/99/23/1123229923.db2.gz UORVZWPZCFMMNQ-NRFANRHFSA-N 1 2 343.279 3.628 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000919946524 1123241538 /nfs/dbraw/zinc/24/15/38/1123241538.db2.gz BUEOXILKMISRDO-QGZVFWFLSA-N 1 2 331.485 3.775 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000919946524 1123241541 /nfs/dbraw/zinc/24/15/41/1123241541.db2.gz BUEOXILKMISRDO-QGZVFWFLSA-N 1 2 331.485 3.775 20 0 EHADLO CCCCCC[C@H](C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155190956 1123307250 /nfs/dbraw/zinc/30/72/50/1123307250.db2.gz QXCLREZJPCUHRG-HNNXBMFYSA-N 1 2 333.476 3.772 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)c1C ZINC000132977346 1123324564 /nfs/dbraw/zinc/32/45/64/1123324564.db2.gz OJTBVKLGVRZQLV-FXAWDEMLSA-N 1 2 337.467 3.816 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920564953 1123386275 /nfs/dbraw/zinc/38/62/75/1123386275.db2.gz VCNNVOOCWNWHSS-XYJFISCASA-N 1 2 342.487 3.636 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000133745266 1123428534 /nfs/dbraw/zinc/42/85/34/1123428534.db2.gz HCRYGUUPXPSALS-FXAWDEMLSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@@H]1CCC(C)(C)N1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920836427 1123429927 /nfs/dbraw/zinc/42/99/27/1123429927.db2.gz RMXQEKJRLPKTNG-WBVHZDCISA-N 1 2 340.471 3.676 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC(C)(C)/C=C/Cl)c1ccccc1 ZINC000920841882 1123431161 /nfs/dbraw/zinc/43/11/61/1123431161.db2.gz GWYZOBWVTISHOT-FEAKQIBJSA-N 1 2 346.862 3.534 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](C)CCOc3cccc(Cl)c3)c2c1 ZINC000921045212 1123458669 /nfs/dbraw/zinc/45/86/69/1123458669.db2.gz STNLSSVNRDQMRZ-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](C)CCOc3cccc(Cl)c3)c2c1 ZINC000921045212 1123458671 /nfs/dbraw/zinc/45/86/71/1123458671.db2.gz STNLSSVNRDQMRZ-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000076063919 1123460901 /nfs/dbraw/zinc/46/09/01/1123460901.db2.gz DXWRPWLRGKRMGP-WFASDCNBSA-N 1 2 326.893 3.740 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000076063919 1123460902 /nfs/dbraw/zinc/46/09/02/1123460902.db2.gz DXWRPWLRGKRMGP-WFASDCNBSA-N 1 2 326.893 3.740 20 0 EHADLO CCc1ccccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921143544 1123476298 /nfs/dbraw/zinc/47/62/98/1123476298.db2.gz OKZNWULLRCWDDP-UHFFFAOYSA-N 1 2 336.464 3.921 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)c(Cl)c1OC ZINC000134909805 1123563712 /nfs/dbraw/zinc/56/37/12/1123563712.db2.gz ZNPMFDWYMQGXSY-SNVBAGLBSA-N 1 2 326.849 3.973 20 0 EHADLO C[N@H+](CC(=O)Nc1cccnc1Cl)Cc1cc2ccccc2o1 ZINC000175177494 1123615197 /nfs/dbraw/zinc/61/51/97/1123615197.db2.gz PLZBJKWMQGHSCY-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1cc2ccccc2o1 ZINC000175177494 1123615200 /nfs/dbraw/zinc/61/52/00/1123615200.db2.gz PLZBJKWMQGHSCY-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000135437107 1123615523 /nfs/dbraw/zinc/61/55/23/1123615523.db2.gz XIVBYVXSVRWPTM-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000135437107 1123615527 /nfs/dbraw/zinc/61/55/27/1123615527.db2.gz XIVBYVXSVRWPTM-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc2ccccc2c1 ZINC000064440825 1123618040 /nfs/dbraw/zinc/61/80/40/1123618040.db2.gz YFXMOZMJIQPLQL-LJQANCHMSA-N 1 2 335.451 3.810 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484704 1123635170 /nfs/dbraw/zinc/63/51/70/1123635170.db2.gz WPVMLCOZPZGTKY-HUUCEWRRSA-N 1 2 335.398 3.956 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484704 1123635171 /nfs/dbraw/zinc/63/51/71/1123635171.db2.gz WPVMLCOZPZGTKY-HUUCEWRRSA-N 1 2 335.398 3.956 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000135654035 1123635493 /nfs/dbraw/zinc/63/54/93/1123635493.db2.gz LZITYFCCVVZTSR-OAQYLSRUSA-N 1 2 338.451 3.940 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000135654035 1123635495 /nfs/dbraw/zinc/63/54/95/1123635495.db2.gz LZITYFCCVVZTSR-OAQYLSRUSA-N 1 2 338.451 3.940 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266294 1123644146 /nfs/dbraw/zinc/64/41/46/1123644146.db2.gz HEKOJPMJUDRCIT-PXNSSMCTSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266294 1123644150 /nfs/dbraw/zinc/64/41/50/1123644150.db2.gz HEKOJPMJUDRCIT-PXNSSMCTSA-N 1 2 345.446 3.746 20 0 EHADLO O=C(CCCc1cccs1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255645 1123681654 /nfs/dbraw/zinc/68/16/54/1123681654.db2.gz METZTFIGRXJGEF-UHFFFAOYSA-N 1 2 343.496 3.773 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Cl)o2)C[C@H](C)O1 ZINC000079267049 1123682075 /nfs/dbraw/zinc/68/20/75/1123682075.db2.gz KVSRWPVTODXROO-BETUJISGSA-N 1 2 348.830 3.795 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Cl)o2)C[C@H](C)O1 ZINC000079267049 1123682077 /nfs/dbraw/zinc/68/20/77/1123682077.db2.gz KVSRWPVTODXROO-BETUJISGSA-N 1 2 348.830 3.795 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C[C@@H](C)O2 ZINC000081389887 1123798620 /nfs/dbraw/zinc/79/86/20/1123798620.db2.gz WSYXHNHZUBMHTD-OAHLLOKOSA-N 1 2 333.391 3.608 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412357 1123817411 /nfs/dbraw/zinc/81/74/11/1123817411.db2.gz AKSFFYTWLZRXGJ-FHSNZYRGSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412357 1123817424 /nfs/dbraw/zinc/81/74/24/1123817424.db2.gz AKSFFYTWLZRXGJ-FHSNZYRGSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H]1c1ccccc1 ZINC000081573726 1123849064 /nfs/dbraw/zinc/84/90/64/1123849064.db2.gz SNCZUYXLEGGIAO-DJJJIMSYSA-N 1 2 349.390 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H]1c1ccccc1 ZINC000081573726 1123849070 /nfs/dbraw/zinc/84/90/70/1123849070.db2.gz SNCZUYXLEGGIAO-DJJJIMSYSA-N 1 2 349.390 3.658 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000081574135 1123849192 /nfs/dbraw/zinc/84/91/92/1123849192.db2.gz PHVDHMLRCKJCFD-UGSOOPFHSA-N 1 2 346.377 3.920 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000081574135 1123849197 /nfs/dbraw/zinc/84/91/97/1123849197.db2.gz PHVDHMLRCKJCFD-UGSOOPFHSA-N 1 2 346.377 3.920 20 0 EHADLO CCCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245650985 1123910841 /nfs/dbraw/zinc/91/08/41/1123910841.db2.gz DMRPNENMNVVQSO-IRXDYDNUSA-N 1 2 339.430 3.542 20 0 EHADLO CCCCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245650985 1123910843 /nfs/dbraw/zinc/91/08/43/1123910843.db2.gz DMRPNENMNVVQSO-IRXDYDNUSA-N 1 2 339.430 3.542 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698374 1123930564 /nfs/dbraw/zinc/93/05/64/1123930564.db2.gz MWDJMCKUBHEXFB-JXFKEZNVSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698374 1123930567 /nfs/dbraw/zinc/93/05/67/1123930567.db2.gz MWDJMCKUBHEXFB-JXFKEZNVSA-N 1 2 337.467 3.610 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245717972 1123934923 /nfs/dbraw/zinc/93/49/23/1123934923.db2.gz ABDLIJPTEXOKFN-SJORKVTESA-N 1 2 337.467 3.660 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245717972 1123934927 /nfs/dbraw/zinc/93/49/27/1123934927.db2.gz ABDLIJPTEXOKFN-SJORKVTESA-N 1 2 337.467 3.660 20 0 EHADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327947 1123982760 /nfs/dbraw/zinc/98/27/60/1123982760.db2.gz DWKCSTBFZHCVQT-GUDVDZBRSA-N 1 2 337.467 3.630 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246061735 1124010509 /nfs/dbraw/zinc/01/05/09/1124010509.db2.gz AVCJTZURRQGTTC-QBPKDAKJSA-N 1 2 345.487 3.701 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000138914453 1124029898 /nfs/dbraw/zinc/02/98/98/1124029898.db2.gz YBSQWWGIBFYSEP-KZNAEPCWSA-N 1 2 346.519 3.599 20 0 EHADLO O=C(N[C@@H]1CC12CCCCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543051015 1129164487 /nfs/dbraw/zinc/16/44/87/1129164487.db2.gz CIYBVBAWCIZHAG-GOSISDBHSA-N 1 2 344.503 3.808 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734525227 1131246824 /nfs/dbraw/zinc/24/68/24/1131246824.db2.gz MTIPLTXGTDGFMA-IAGOWNOFSA-N 1 2 340.471 3.888 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246996068 1124575238 /nfs/dbraw/zinc/57/52/38/1124575238.db2.gz KRBMGQZOXNOYIM-CRAIPNDOSA-N 1 2 341.455 3.732 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246996068 1124575247 /nfs/dbraw/zinc/57/52/47/1124575247.db2.gz KRBMGQZOXNOYIM-CRAIPNDOSA-N 1 2 341.455 3.732 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)no1 ZINC000247336540 1124604561 /nfs/dbraw/zinc/60/45/61/1124604561.db2.gz JHNSTTHAUGVHIF-CVEARBPZSA-N 1 2 329.469 3.905 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)no1 ZINC000247336540 1124604564 /nfs/dbraw/zinc/60/45/64/1124604564.db2.gz JHNSTTHAUGVHIF-CVEARBPZSA-N 1 2 329.469 3.905 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000617548515 1124641113 /nfs/dbraw/zinc/64/11/13/1124641113.db2.gz ALONTGDYVYJOBD-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000617548515 1124641116 /nfs/dbraw/zinc/64/11/16/1124641116.db2.gz ALONTGDYVYJOBD-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)c(Br)c1 ZINC000248329374 1124649720 /nfs/dbraw/zinc/64/97/20/1124649720.db2.gz DDCDOSAEROBXOB-UPJWGTAASA-N 1 2 339.277 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)c(Br)c1 ZINC000248329374 1124649723 /nfs/dbraw/zinc/64/97/23/1124649723.db2.gz DDCDOSAEROBXOB-UPJWGTAASA-N 1 2 339.277 3.815 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000248458922 1124665739 /nfs/dbraw/zinc/66/57/39/1124665739.db2.gz NHQMEWOQMPJJBM-HIFRSBDPSA-N 1 2 325.474 3.632 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000248458922 1124665740 /nfs/dbraw/zinc/66/57/40/1124665740.db2.gz NHQMEWOQMPJJBM-HIFRSBDPSA-N 1 2 325.474 3.632 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249196349 1124745837 /nfs/dbraw/zinc/74/58/37/1124745837.db2.gz QYWUNZVHYWXBQJ-ZTFGCOKTSA-N 1 2 331.435 3.823 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735069865 1131305237 /nfs/dbraw/zinc/30/52/37/1131305237.db2.gz BGHNPIGQTJTFDE-SFHVURJKSA-N 1 2 336.863 3.541 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735069865 1131305244 /nfs/dbraw/zinc/30/52/44/1131305244.db2.gz BGHNPIGQTJTFDE-SFHVURJKSA-N 1 2 336.863 3.541 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970211 1124877474 /nfs/dbraw/zinc/87/74/74/1124877474.db2.gz LZQYJBJTAKWFRP-UHFFFAOYSA-N 1 2 346.374 3.601 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc2ccn(C(F)F)c2c1 ZINC000617988848 1124900410 /nfs/dbraw/zinc/90/04/10/1124900410.db2.gz RHHAVVMWCDSUEO-CHWSQXEVSA-N 1 2 330.338 3.512 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000091518160 1124985089 /nfs/dbraw/zinc/98/50/89/1124985089.db2.gz ROIYTMNWTVPXQI-UHFFFAOYSA-N 1 2 349.521 3.885 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000091518160 1124985092 /nfs/dbraw/zinc/98/50/92/1124985092.db2.gz ROIYTMNWTVPXQI-UHFFFAOYSA-N 1 2 349.521 3.885 20 0 EHADLO Cc1noc(C)c1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449314 1125085411 /nfs/dbraw/zinc/08/54/11/1125085411.db2.gz GCNDFHRTAOIZSS-AOOOYVTPSA-N 1 2 330.272 3.854 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449314 1125085419 /nfs/dbraw/zinc/08/54/19/1125085419.db2.gz GCNDFHRTAOIZSS-AOOOYVTPSA-N 1 2 330.272 3.854 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182054141 1125140418 /nfs/dbraw/zinc/14/04/18/1125140418.db2.gz ZCSDKOSITVBYAF-NSHDSACASA-N 1 2 345.345 3.970 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182054141 1125140421 /nfs/dbraw/zinc/14/04/21/1125140421.db2.gz ZCSDKOSITVBYAF-NSHDSACASA-N 1 2 345.345 3.970 20 0 EHADLO CCc1ccc(C2=CC[N@H+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000093263334 1125212652 /nfs/dbraw/zinc/21/26/52/1125212652.db2.gz APYBHMSXGYTVLM-UHFFFAOYSA-N 1 2 335.513 3.551 20 0 EHADLO CCc1ccc(C2=CC[N@@H+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000093263334 1125212658 /nfs/dbraw/zinc/21/26/58/1125212658.db2.gz APYBHMSXGYTVLM-UHFFFAOYSA-N 1 2 335.513 3.551 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000619508879 1125354311 /nfs/dbraw/zinc/35/43/11/1125354311.db2.gz LPHXIJJVIOFCEU-UHFFFAOYSA-N 1 2 348.830 3.599 20 0 EHADLO CC(C)(CCNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000619678873 1125381329 /nfs/dbraw/zinc/38/13/29/1125381329.db2.gz CCEGWHYCWUXXEL-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000619760573 1125397096 /nfs/dbraw/zinc/39/70/96/1125397096.db2.gz PSJCXAIJTNEJSE-KRWDZBQOSA-N 1 2 327.815 3.658 20 0 EHADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000172862177 1129203559 /nfs/dbraw/zinc/20/35/59/1129203559.db2.gz PFVQJOHOISCXRL-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000172862177 1129203561 /nfs/dbraw/zinc/20/35/61/1129203561.db2.gz PFVQJOHOISCXRL-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000785461805 1129203757 /nfs/dbraw/zinc/20/37/57/1129203757.db2.gz OSOPBYFGDPQTHG-RYRKJORJSA-N 1 2 348.487 3.670 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000785461805 1129203761 /nfs/dbraw/zinc/20/37/61/1129203761.db2.gz OSOPBYFGDPQTHG-RYRKJORJSA-N 1 2 348.487 3.670 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](c4ccccc4)CC3)[nH+]c12 ZINC000066762523 1129207927 /nfs/dbraw/zinc/20/79/27/1129207927.db2.gz CNGUHOOJILSOGS-LJQANCHMSA-N 1 2 347.462 3.982 20 0 EHADLO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000682733962 1129237216 /nfs/dbraw/zinc/23/72/16/1129237216.db2.gz JFPHZCSEGNFJET-AWEZNQCLSA-N 1 2 348.393 3.794 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000682806683 1129241671 /nfs/dbraw/zinc/24/16/71/1129241671.db2.gz VKOZEGPUNHFWOW-CQSZACIVSA-N 1 2 349.837 3.817 20 0 EHADLO Cc1ccc(N[C@@H](C)CCCC(C)(C)O)c(C[NH+]2CCOCC2)c1 ZINC001168707561 1129263177 /nfs/dbraw/zinc/26/31/77/1129263177.db2.gz JYLTXEYJPHKXDE-KRWDZBQOSA-N 1 2 334.504 3.569 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000543133433 1129268313 /nfs/dbraw/zinc/26/83/13/1129268313.db2.gz RYDADWPLWUYLKV-SCLBCKFNSA-N 1 2 334.423 3.638 20 0 EHADLO COc1cc2c(cc1Cl)CN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC000338819603 1129293537 /nfs/dbraw/zinc/29/35/37/1129293537.db2.gz OLAHGXIZVOHEJA-UHFFFAOYSA-N 1 2 329.831 3.887 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cnc(Br)c(C)c2)s1 ZINC000929285707 1129401355 /nfs/dbraw/zinc/40/13/55/1129401355.db2.gz OEHMGGJGESGFJA-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cnc(Br)c(C)c2)s1 ZINC000929285707 1129401358 /nfs/dbraw/zinc/40/13/58/1129401358.db2.gz OEHMGGJGESGFJA-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000081317573 1129412934 /nfs/dbraw/zinc/41/29/34/1129412934.db2.gz UASHQCHWOJROFI-GOSISDBHSA-N 1 2 325.456 3.791 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348612 1129449598 /nfs/dbraw/zinc/44/95/98/1129449598.db2.gz CINVXGFXVNRAJN-QWRGUYRKSA-N 1 2 347.406 3.525 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348612 1129449599 /nfs/dbraw/zinc/44/95/99/1129449599.db2.gz CINVXGFXVNRAJN-QWRGUYRKSA-N 1 2 347.406 3.525 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CCOC3CCSCC3)CCO2)cc1 ZINC000929296898 1129502874 /nfs/dbraw/zinc/50/28/74/1129502874.db2.gz DXGHSDKGZMEMEE-QGZVFWFLSA-N 1 2 341.904 3.626 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CCOC3CCSCC3)CCO2)cc1 ZINC000929296898 1129502876 /nfs/dbraw/zinc/50/28/76/1129502876.db2.gz DXGHSDKGZMEMEE-QGZVFWFLSA-N 1 2 341.904 3.626 20 0 EHADLO Cc1cc(CNc2c[nH+]ccc2OC(C)(C)C)ccc1-n1cncn1 ZINC000158426596 1129515613 /nfs/dbraw/zinc/51/56/13/1129515613.db2.gz LOKISSLZIHRSES-UHFFFAOYSA-N 1 2 337.427 3.760 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2ccc(F)cc2)CCCC1 ZINC000118725093 1129520054 /nfs/dbraw/zinc/52/00/54/1129520054.db2.gz SOYUUIONZMMPMW-UHFFFAOYSA-N 1 2 341.430 3.651 20 0 EHADLO C[NH+](C)[C@@H](CNCc1nc2ccc(F)cc2s1)c1ccc(F)cc1 ZINC000428870965 1129559107 /nfs/dbraw/zinc/55/91/07/1129559107.db2.gz JANCRUTWBJROTG-INIZCTEOSA-N 1 2 347.434 3.967 20 0 EHADLO C[NH+](C)[C@H](CNCc1nc2ccc(F)cc2s1)c1ccc(F)cc1 ZINC000428870970 1129559325 /nfs/dbraw/zinc/55/93/25/1129559325.db2.gz JANCRUTWBJROTG-MRXNPFEDSA-N 1 2 347.434 3.967 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521570 1129561587 /nfs/dbraw/zinc/56/15/87/1129561587.db2.gz VWBHIJRQXFEARK-PKOBYXMFSA-N 1 2 331.387 3.621 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@@H+]1CCOCC12CCCC2 ZINC000508946723 1129573222 /nfs/dbraw/zinc/57/32/22/1129573222.db2.gz BFWZCRHTQXXOHI-UHFFFAOYSA-N 1 2 330.453 3.971 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@H+]1CCOCC12CCCC2 ZINC000508946723 1129573226 /nfs/dbraw/zinc/57/32/26/1129573226.db2.gz BFWZCRHTQXXOHI-UHFFFAOYSA-N 1 2 330.453 3.971 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1cccc(Cl)c1F ZINC000499933387 1129575635 /nfs/dbraw/zinc/57/56/35/1129575635.db2.gz DAKBLKTZVAYFBP-KRWDZBQOSA-N 1 2 346.789 3.957 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347724833 1129588343 /nfs/dbraw/zinc/58/83/43/1129588343.db2.gz VTZXPTSYFLJNIP-UHFFFAOYSA-N 1 2 334.448 3.889 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347724833 1129588346 /nfs/dbraw/zinc/58/83/46/1129588346.db2.gz VTZXPTSYFLJNIP-UHFFFAOYSA-N 1 2 334.448 3.889 20 0 EHADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000624941598 1129610819 /nfs/dbraw/zinc/61/08/19/1129610819.db2.gz WPJZMKXOKBXWHR-OVZMXSCWSA-N 1 2 333.819 3.524 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922686507 1129626611 /nfs/dbraw/zinc/62/66/11/1129626611.db2.gz GPJFYHMUHOLCPE-INIZCTEOSA-N 1 2 330.476 3.802 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000428958322 1129638003 /nfs/dbraw/zinc/63/80/03/1129638003.db2.gz CHQUQPSBZSXCGO-YESZJQIVSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c(Cl)c1 ZINC000922712694 1129640914 /nfs/dbraw/zinc/64/09/14/1129640914.db2.gz DRZRIMVQWDLNKH-UHFFFAOYSA-N 1 2 335.732 3.830 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168735381 1129677702 /nfs/dbraw/zinc/67/77/02/1129677702.db2.gz RVHPRYOQHRPFRO-LLVKDONJSA-N 1 2 341.764 3.538 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168735381 1129677704 /nfs/dbraw/zinc/67/77/04/1129677704.db2.gz RVHPRYOQHRPFRO-LLVKDONJSA-N 1 2 341.764 3.538 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H]1C ZINC000347764010 1129702327 /nfs/dbraw/zinc/70/23/27/1129702327.db2.gz PKILVTKLEUGDCB-IIAWOOMASA-N 1 2 344.434 3.635 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H]1C ZINC000347767077 1129705290 /nfs/dbraw/zinc/70/52/90/1129705290.db2.gz FPBWCKMROZREFO-RYRKJORJSA-N 1 2 344.503 3.696 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000625120486 1129738515 /nfs/dbraw/zinc/73/85/15/1129738515.db2.gz URMNFHHCSXIZPV-PKOBYXMFSA-N 1 2 341.455 3.937 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000625120486 1129738516 /nfs/dbraw/zinc/73/85/16/1129738516.db2.gz URMNFHHCSXIZPV-PKOBYXMFSA-N 1 2 341.455 3.937 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673725383 1129811526 /nfs/dbraw/zinc/81/15/26/1129811526.db2.gz VFNGXTBLFIEWNI-MRXNPFEDSA-N 1 2 335.451 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC/C=C\c3ccccc3)[nH+]c12 ZINC000673725094 1129812194 /nfs/dbraw/zinc/81/21/94/1129812194.db2.gz RWYZRNJGIIQSHT-WZUFQYTHSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC000673726324 1129812300 /nfs/dbraw/zinc/81/23/00/1129812300.db2.gz UEPVXRVIWKMXDO-UHFFFAOYSA-N 1 2 347.462 3.650 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H]3CCCc4ccccc43)[nH+]c12 ZINC000673725867 1129813082 /nfs/dbraw/zinc/81/30/82/1129813082.db2.gz GHRVDPXBZAAPGB-SFHVURJKSA-N 1 2 347.462 3.812 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CCc3ccc(Cl)cc3)[nH+]c12 ZINC000673725779 1129813358 /nfs/dbraw/zinc/81/33/58/1129813358.db2.gz YBBFINVFIQANOG-UHFFFAOYSA-N 1 2 341.842 3.588 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429119709 1129828447 /nfs/dbraw/zinc/82/84/47/1129828447.db2.gz YZJTUHHDCRKWKV-DOTOQJQBSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429119709 1129828452 /nfs/dbraw/zinc/82/84/52/1129828452.db2.gz YZJTUHHDCRKWKV-DOTOQJQBSA-N 1 2 338.451 3.914 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000625323999 1129831051 /nfs/dbraw/zinc/83/10/51/1129831051.db2.gz RRSVPMAZFQWSEF-IAGOWNOFSA-N 1 2 345.418 3.828 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000625323999 1129831055 /nfs/dbraw/zinc/83/10/55/1129831055.db2.gz RRSVPMAZFQWSEF-IAGOWNOFSA-N 1 2 345.418 3.828 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3CC(C)(C)C)[nH+]c12 ZINC000673780604 1129841790 /nfs/dbraw/zinc/84/17/90/1129841790.db2.gz ZJGAKLBBFPWJSU-QGZVFWFLSA-N 1 2 342.487 3.795 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)CCO2 ZINC000186825990 1129851137 /nfs/dbraw/zinc/85/11/37/1129851137.db2.gz ISZLRVHXKBUNEC-ZDUSSCGKSA-N 1 2 330.428 3.775 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168744179 1129875904 /nfs/dbraw/zinc/87/59/04/1129875904.db2.gz RNJBVCRVLWZEHW-DNVCBOLYSA-N 1 2 342.870 3.925 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000673856362 1129885923 /nfs/dbraw/zinc/88/59/23/1129885923.db2.gz IRZUWTZOUPBSOE-WMLDXEAASA-N 1 2 332.469 3.814 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000673856362 1129885927 /nfs/dbraw/zinc/88/59/27/1129885927.db2.gz IRZUWTZOUPBSOE-WMLDXEAASA-N 1 2 332.469 3.814 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000625459465 1129886969 /nfs/dbraw/zinc/88/69/69/1129886969.db2.gz XCKIEZYVWKUIDS-ZWNOBZJWSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000625459465 1129886974 /nfs/dbraw/zinc/88/69/74/1129886974.db2.gz XCKIEZYVWKUIDS-ZWNOBZJWSA-N 1 2 348.231 3.974 20 0 EHADLO CC(C)C1(C)CC[NH+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000186887437 1129889825 /nfs/dbraw/zinc/88/98/25/1129889825.db2.gz PBQNJNUHAGGIDT-UHFFFAOYSA-N 1 2 345.516 3.729 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)c1 ZINC000429157771 1129901692 /nfs/dbraw/zinc/90/16/92/1129901692.db2.gz NNRDWVBJIYIRKT-AWEZNQCLSA-N 1 2 334.876 3.702 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)c1 ZINC000429157771 1129901695 /nfs/dbraw/zinc/90/16/95/1129901695.db2.gz NNRDWVBJIYIRKT-AWEZNQCLSA-N 1 2 334.876 3.702 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cn1 ZINC000347859201 1129936631 /nfs/dbraw/zinc/93/66/31/1129936631.db2.gz UIRUIMMLGMJRAP-FQEVSTJZSA-N 1 2 338.430 3.738 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cn1 ZINC000347859201 1129936635 /nfs/dbraw/zinc/93/66/35/1129936635.db2.gz UIRUIMMLGMJRAP-FQEVSTJZSA-N 1 2 338.430 3.738 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429207055 1129975067 /nfs/dbraw/zinc/97/50/67/1129975067.db2.gz WNZQCTMFURYMRE-HNNXBMFYSA-N 1 2 348.406 3.812 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429210338 1129977146 /nfs/dbraw/zinc/97/71/46/1129977146.db2.gz HKFKXSYTVNWVBU-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO COc1cc(CNc2[nH+]c3cccc(Cl)c3n2C)ccc1SC ZINC000466632596 1129993393 /nfs/dbraw/zinc/99/33/93/1129993393.db2.gz AAOWQZCQGTUTBM-UHFFFAOYSA-N 1 2 347.871 3.991 20 0 EHADLO CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCCCC2 ZINC000674282643 1130051939 /nfs/dbraw/zinc/05/19/39/1130051939.db2.gz JVAFAJKNQLDBOY-JKSUJKDBSA-N 1 2 342.443 3.584 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674316458 1130060951 /nfs/dbraw/zinc/06/09/51/1130060951.db2.gz HXGQFSUDLDUCRX-INIZCTEOSA-N 1 2 327.428 3.538 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)Cc2ccccc2)c1C ZINC000172113836 1130107275 /nfs/dbraw/zinc/10/72/75/1130107275.db2.gz RGFYLHYNSBXNII-UHFFFAOYSA-N 1 2 340.467 3.934 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172437904 1130134928 /nfs/dbraw/zinc/13/49/28/1130134928.db2.gz AUCHVXIFCAZURL-ZACQAIPSSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172437904 1130134933 /nfs/dbraw/zinc/13/49/33/1130134933.db2.gz AUCHVXIFCAZURL-ZACQAIPSSA-N 1 2 347.503 3.709 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2nsnc21 ZINC000766074395 1130197921 /nfs/dbraw/zinc/19/79/21/1130197921.db2.gz GDFKDHSGUYTJAW-UHFFFAOYSA-N 1 2 349.463 3.568 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2nsnc21 ZINC000766074395 1130197924 /nfs/dbraw/zinc/19/79/24/1130197924.db2.gz GDFKDHSGUYTJAW-UHFFFAOYSA-N 1 2 349.463 3.568 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000766073607 1130199596 /nfs/dbraw/zinc/19/95/96/1130199596.db2.gz CBJPKGVFFYLLSP-SJCJKPOMSA-N 1 2 343.427 3.792 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000766073607 1130199599 /nfs/dbraw/zinc/19/95/99/1130199599.db2.gz CBJPKGVFFYLLSP-SJCJKPOMSA-N 1 2 343.427 3.792 20 0 EHADLO Clc1cccc2c1OC[C@H]2[NH2+]Cc1ccc(Br)cn1 ZINC000675103389 1130253155 /nfs/dbraw/zinc/25/31/55/1130253155.db2.gz QZAZLVAVNAWSJM-CYBMUJFWSA-N 1 2 339.620 3.721 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000675103032 1130253551 /nfs/dbraw/zinc/25/35/51/1130253551.db2.gz GJHKKIHFQTUOFK-AYBZRNKSSA-N 1 2 338.455 3.735 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000675257495 1130298769 /nfs/dbraw/zinc/29/87/69/1130298769.db2.gz KWWMOLORZMGNAK-YJBOKZPZSA-N 1 2 345.874 3.887 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675257983 1130298787 /nfs/dbraw/zinc/29/87/87/1130298787.db2.gz OWSIFESRZWUFHS-KXBFYZLASA-N 1 2 349.434 3.768 20 0 EHADLO C[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@H]1n1cc[nH+]c1 ZINC000675256997 1130299063 /nfs/dbraw/zinc/29/90/63/1130299063.db2.gz FIVSZQKGFAZXBZ-YVEFUNNKSA-N 1 2 342.830 3.741 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000675257597 1130299764 /nfs/dbraw/zinc/29/97/64/1130299764.db2.gz OAQHTAQJOLMGNY-MVJTYMMSSA-N 1 2 341.455 3.642 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001137610298 1130386897 /nfs/dbraw/zinc/38/68/97/1130386897.db2.gz LWJVYBUNOFULDJ-SFHVURJKSA-N 1 2 348.277 3.803 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001137610298 1130386900 /nfs/dbraw/zinc/38/69/00/1130386900.db2.gz LWJVYBUNOFULDJ-SFHVURJKSA-N 1 2 348.277 3.803 20 0 EHADLO Cc1cc(NC(=O)CCCc2cccc(Br)c2)cc[nH+]1 ZINC000675461772 1130391292 /nfs/dbraw/zinc/39/12/92/1130391292.db2.gz CFLOOPOKURIHKS-UHFFFAOYSA-N 1 2 333.229 3.536 20 0 EHADLO Cc1nc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548307 1130426154 /nfs/dbraw/zinc/42/61/54/1130426154.db2.gz LBOKDBCANBIAPW-GHMZBOCLSA-N 1 2 341.299 3.969 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000675622852 1130432710 /nfs/dbraw/zinc/43/27/10/1130432710.db2.gz XIBVUMFHFGHOJA-AWEZNQCLSA-N 1 2 335.860 3.886 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000675622852 1130432715 /nfs/dbraw/zinc/43/27/15/1130432715.db2.gz XIBVUMFHFGHOJA-AWEZNQCLSA-N 1 2 335.860 3.886 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(C3CCCC3)n2)cc1OC ZINC000675638743 1130442969 /nfs/dbraw/zinc/44/29/69/1130442969.db2.gz IQCYJMKFWGLNEI-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(C3CCCC3)n2)cc1OC ZINC000675638743 1130442972 /nfs/dbraw/zinc/44/29/72/1130442972.db2.gz IQCYJMKFWGLNEI-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(C1CC1)C1CCCCC1 ZINC000675957717 1130510059 /nfs/dbraw/zinc/51/00/59/1130510059.db2.gz WIOCZPSVJIPKGH-UHFFFAOYSA-N 1 2 342.487 3.557 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048706 1130523701 /nfs/dbraw/zinc/52/37/01/1130523701.db2.gz QNBOKDKIFHMJEN-CRAIPNDOSA-N 1 2 342.487 3.795 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000536023093 1130590259 /nfs/dbraw/zinc/59/02/59/1130590259.db2.gz MHOJGRCADYHWOH-MRXNPFEDSA-N 1 2 336.357 3.862 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000536023093 1130590260 /nfs/dbraw/zinc/59/02/60/1130590260.db2.gz MHOJGRCADYHWOH-MRXNPFEDSA-N 1 2 336.357 3.862 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC000728043821 1130619938 /nfs/dbraw/zinc/61/99/38/1130619938.db2.gz ZTKKFANKFIRRCW-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000728043821 1130619944 /nfs/dbraw/zinc/61/99/44/1130619944.db2.gz ZTKKFANKFIRRCW-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC000285621285 1130626660 /nfs/dbraw/zinc/62/66/60/1130626660.db2.gz KUCDABQWZATJPV-CQSZACIVSA-N 1 2 338.411 3.847 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000168207808 1130632261 /nfs/dbraw/zinc/63/22/61/1130632261.db2.gz OCHGPZNHBKMKIQ-CMPLNLGQSA-N 1 2 343.406 3.731 20 0 EHADLO Cc1c(Cl)cccc1-n1ccn(C[N@@H+](C)[C@@H]2CCOC2)c1=S ZINC000730259749 1130692252 /nfs/dbraw/zinc/69/22/52/1130692252.db2.gz VYXLSLLCLOXMNR-CYBMUJFWSA-N 1 2 337.876 3.648 20 0 EHADLO Cc1c(Cl)cccc1-n1ccn(C[N@H+](C)[C@@H]2CCOC2)c1=S ZINC000730259749 1130692254 /nfs/dbraw/zinc/69/22/54/1130692254.db2.gz VYXLSLLCLOXMNR-CYBMUJFWSA-N 1 2 337.876 3.648 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000730544524 1130718589 /nfs/dbraw/zinc/71/85/89/1130718589.db2.gz VGNKZKAWTMOCEL-SECBINFHSA-N 1 2 343.424 3.806 20 0 EHADLO CCCCCCOCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000730751765 1130731581 /nfs/dbraw/zinc/73/15/81/1130731581.db2.gz BANQPBUPTRKWPF-KRWDZBQOSA-N 1 2 348.487 3.615 20 0 EHADLO CCOCC[N@H+](CC)Cn1c(=S)n(-c2ccccc2)nc1C1CC1 ZINC000730802310 1130738837 /nfs/dbraw/zinc/73/88/37/1130738837.db2.gz POCFBHIOBSDAQV-UHFFFAOYSA-N 1 2 346.500 3.597 20 0 EHADLO CCOCC[N@@H+](CC)Cn1c(=S)n(-c2ccccc2)nc1C1CC1 ZINC000730802310 1130738840 /nfs/dbraw/zinc/73/88/40/1130738840.db2.gz POCFBHIOBSDAQV-UHFFFAOYSA-N 1 2 346.500 3.597 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000731029025 1130759621 /nfs/dbraw/zinc/75/96/21/1130759621.db2.gz NCMFCUHIDAYMGT-UHFFFAOYSA-N 1 2 331.372 3.783 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000731875945 1130853517 /nfs/dbraw/zinc/85/35/17/1130853517.db2.gz QJANUUBGIKWQLL-UHFFFAOYSA-N 1 2 348.472 3.739 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CCC[C@H]3c3ccc(F)c(F)c3)c2c1 ZINC000732980380 1130977553 /nfs/dbraw/zinc/97/75/53/1130977553.db2.gz JDHGHEWKKJSPIK-INIZCTEOSA-N 1 2 344.361 3.976 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CCC[C@H]3c3ccc(F)c(F)c3)c2c1 ZINC000732980380 1130977557 /nfs/dbraw/zinc/97/75/57/1130977557.db2.gz JDHGHEWKKJSPIK-INIZCTEOSA-N 1 2 344.361 3.976 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732986605 1130978937 /nfs/dbraw/zinc/97/89/37/1130978937.db2.gz MNCDDHLGFSUMNI-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732986605 1130978941 /nfs/dbraw/zinc/97/89/41/1130978941.db2.gz MNCDDHLGFSUMNI-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000732987446 1130979252 /nfs/dbraw/zinc/97/92/52/1130979252.db2.gz VDZSWZHODPZSJP-GOSISDBHSA-N 1 2 342.389 3.691 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000732987446 1130979255 /nfs/dbraw/zinc/97/92/55/1130979255.db2.gz VDZSWZHODPZSJP-GOSISDBHSA-N 1 2 342.389 3.691 20 0 EHADLO c1cc(-c2nc(C[NH2+]Cc3cccc4c3OCCO4)cs2)cs1 ZINC000733332031 1131027241 /nfs/dbraw/zinc/02/72/41/1131027241.db2.gz WTKUMZJAUCGBSF-UHFFFAOYSA-N 1 2 344.461 3.933 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347959182 1131105306 /nfs/dbraw/zinc/10/53/06/1131105306.db2.gz OXOVLLBCHGZRRN-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000347959182 1131105309 /nfs/dbraw/zinc/10/53/09/1131105309.db2.gz OXOVLLBCHGZRRN-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO Cc1cc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)no1 ZINC000348024247 1131122916 /nfs/dbraw/zinc/12/29/16/1131122916.db2.gz PZQCPCKNEYRUEZ-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1cc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)no1 ZINC000348024247 1131122918 /nfs/dbraw/zinc/12/29/18/1131122918.db2.gz PZQCPCKNEYRUEZ-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348054107 1131130583 /nfs/dbraw/zinc/13/05/83/1131130583.db2.gz UVZCTBDRMFEMMC-AAEUAGOBSA-N 1 2 345.472 3.950 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2n1 ZINC000736307882 1131414890 /nfs/dbraw/zinc/41/48/90/1131414890.db2.gz GLSSVGPAYZAGJJ-UHFFFAOYSA-N 1 2 344.418 3.824 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2n1 ZINC000736307882 1131414891 /nfs/dbraw/zinc/41/48/91/1131414891.db2.gz GLSSVGPAYZAGJJ-UHFFFAOYSA-N 1 2 344.418 3.824 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2cc(Cl)cs2)c1C ZINC000736475642 1131421804 /nfs/dbraw/zinc/42/18/04/1131421804.db2.gz PYVKROMYFCCLEE-UHFFFAOYSA-N 1 2 338.860 3.671 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCCCC[C@H]2C)c(=S)n1C ZINC000738221925 1131463723 /nfs/dbraw/zinc/46/37/23/1131463723.db2.gz FDPYIWSWISGUTD-CQSZACIVSA-N 1 2 346.500 3.849 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCCCC[C@H]2C)c(=S)n1C ZINC000738221925 1131463725 /nfs/dbraw/zinc/46/37/25/1131463725.db2.gz FDPYIWSWISGUTD-CQSZACIVSA-N 1 2 346.500 3.849 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000738239729 1131465827 /nfs/dbraw/zinc/46/58/27/1131465827.db2.gz MTOROHKIDOTFJF-OAHLLOKOSA-N 1 2 331.489 3.514 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000738239729 1131465830 /nfs/dbraw/zinc/46/58/30/1131465830.db2.gz MTOROHKIDOTFJF-OAHLLOKOSA-N 1 2 331.489 3.514 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000738245162 1131466486 /nfs/dbraw/zinc/46/64/86/1131466486.db2.gz LDSYNCMSEUHCSO-KRWDZBQOSA-N 1 2 340.448 3.651 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000738245162 1131466488 /nfs/dbraw/zinc/46/64/88/1131466488.db2.gz LDSYNCMSEUHCSO-KRWDZBQOSA-N 1 2 340.448 3.651 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942434 1131559471 /nfs/dbraw/zinc/55/94/71/1131559471.db2.gz FQZWCNJBMOANQQ-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942434 1131559474 /nfs/dbraw/zinc/55/94/74/1131559474.db2.gz FQZWCNJBMOANQQ-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000741780498 1131646026 /nfs/dbraw/zinc/64/60/26/1131646026.db2.gz XAFRJONLWOKCBQ-ZDUSSCGKSA-N 1 2 338.517 3.962 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cnc3ccsc3c2)n1 ZINC000742051765 1131683608 /nfs/dbraw/zinc/68/36/08/1131683608.db2.gz CJQPBQPMYFYNHV-UHFFFAOYSA-N 1 2 346.481 3.847 20 0 EHADLO Cn1c(C(=O)NCCCCNc2cccc[nH+]2)ccc1-c1ccccc1 ZINC000742067289 1131685977 /nfs/dbraw/zinc/68/59/77/1131685977.db2.gz KHOUBUMKIPFMMO-UHFFFAOYSA-N 1 2 348.450 3.709 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)C1 ZINC000742144809 1131690362 /nfs/dbraw/zinc/69/03/62/1131690362.db2.gz GLRXZQVHWPLNIF-LLVKDONJSA-N 1 2 338.427 3.965 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)C1 ZINC000742144809 1131690364 /nfs/dbraw/zinc/69/03/64/1131690364.db2.gz GLRXZQVHWPLNIF-LLVKDONJSA-N 1 2 338.427 3.965 20 0 EHADLO CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165446 1131691742 /nfs/dbraw/zinc/69/17/42/1131691742.db2.gz WCIJZTDXRFTGBI-IYBDPMFKSA-N 1 2 342.512 3.955 20 0 EHADLO CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165446 1131691743 /nfs/dbraw/zinc/69/17/43/1131691743.db2.gz WCIJZTDXRFTGBI-IYBDPMFKSA-N 1 2 342.512 3.955 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc2n1CCCCC2 ZINC000742152019 1131693703 /nfs/dbraw/zinc/69/37/03/1131693703.db2.gz ALJWWXIEOPSBEZ-KRWDZBQOSA-N 1 2 342.512 3.663 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc2n1CCCCC2 ZINC000742152019 1131693705 /nfs/dbraw/zinc/69/37/05/1131693705.db2.gz ALJWWXIEOPSBEZ-KRWDZBQOSA-N 1 2 342.512 3.663 20 0 EHADLO CC(C)Oc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000742152765 1131694362 /nfs/dbraw/zinc/69/43/62/1131694362.db2.gz LTDGHULYGPLHHS-OAHLLOKOSA-N 1 2 349.525 3.983 20 0 EHADLO CC(C)Oc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000742152765 1131694364 /nfs/dbraw/zinc/69/43/64/1131694364.db2.gz LTDGHULYGPLHHS-OAHLLOKOSA-N 1 2 349.525 3.983 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C[C@@H]2C)C1 ZINC000742159538 1131695033 /nfs/dbraw/zinc/69/50/33/1131695033.db2.gz QRWDNPRVCCFYFS-LSDHHAIUSA-N 1 2 342.508 3.829 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C[C@@H]2C)C1 ZINC000742159538 1131695034 /nfs/dbraw/zinc/69/50/34/1131695034.db2.gz QRWDNPRVCCFYFS-LSDHHAIUSA-N 1 2 342.508 3.829 20 0 EHADLO CC(C)OCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172430718 1131725057 /nfs/dbraw/zinc/72/50/57/1131725057.db2.gz HZCMBCZQQUSQEX-WMZOPIPTSA-N 1 2 335.488 3.733 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000742856917 1131807248 /nfs/dbraw/zinc/80/72/48/1131807248.db2.gz AGEBMYXFHXUGQL-HSNDNRACSA-N 1 2 331.419 3.534 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2cccc(F)c2)C2CC2)[C@@H]1c1ccccc1 ZINC000743355829 1131898651 /nfs/dbraw/zinc/89/86/51/1131898651.db2.gz HSBDPXLNJWNQCG-QRWLVFNGSA-N 1 2 338.426 3.967 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2cccc(F)c2)C2CC2)[C@@H]1c1ccccc1 ZINC000743355829 1131898660 /nfs/dbraw/zinc/89/86/60/1131898660.db2.gz HSBDPXLNJWNQCG-QRWLVFNGSA-N 1 2 338.426 3.967 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@@H](C(C)C)CC1)c2=O ZINC000743365627 1131902579 /nfs/dbraw/zinc/90/25/79/1131902579.db2.gz GHJLWHBVNOGRFJ-OAHLLOKOSA-N 1 2 333.501 3.790 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@@H](C(C)C)CC1)c2=O ZINC000743365627 1131902582 /nfs/dbraw/zinc/90/25/82/1131902582.db2.gz GHJLWHBVNOGRFJ-OAHLLOKOSA-N 1 2 333.501 3.790 20 0 EHADLO Brc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC001212692450 1131903067 /nfs/dbraw/zinc/90/30/67/1131903067.db2.gz UFEMXHPPXPCQDJ-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](C)Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000743348733 1131905162 /nfs/dbraw/zinc/90/51/62/1131905162.db2.gz GJPTZPUEGMUATD-RDTXWAMCSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000743348733 1131905168 /nfs/dbraw/zinc/90/51/68/1131905168.db2.gz GJPTZPUEGMUATD-RDTXWAMCSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000743347601 1131905487 /nfs/dbraw/zinc/90/54/87/1131905487.db2.gz DBNOGSMTLSGLDE-FOIQADDNSA-N 1 2 338.426 3.967 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000743347601 1131905493 /nfs/dbraw/zinc/90/54/93/1131905493.db2.gz DBNOGSMTLSGLDE-FOIQADDNSA-N 1 2 338.426 3.967 20 0 EHADLO Nc1cccc(-c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)n2)n1 ZINC001212693267 1131906586 /nfs/dbraw/zinc/90/65/86/1131906586.db2.gz MDGVZYAZCJXPKY-UHFFFAOYSA-N 1 2 342.406 3.714 20 0 EHADLO COc1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc2cccnc21 ZINC001212693187 1131906619 /nfs/dbraw/zinc/90/66/19/1131906619.db2.gz HSILESWKADFIJT-UHFFFAOYSA-N 1 2 331.379 3.627 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397990 1131909829 /nfs/dbraw/zinc/90/98/29/1131909829.db2.gz FJVVCLAKOKSVKT-CVEARBPZSA-N 1 2 348.541 3.967 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397990 1131909831 /nfs/dbraw/zinc/90/98/31/1131909831.db2.gz FJVVCLAKOKSVKT-CVEARBPZSA-N 1 2 348.541 3.967 20 0 EHADLO Fc1ccc(-n2nccc2Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212694093 1131923397 /nfs/dbraw/zinc/92/33/97/1131923397.db2.gz JNCBTJCUZIVATJ-UHFFFAOYSA-N 1 2 333.370 4.000 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743850321 1131984211 /nfs/dbraw/zinc/98/42/11/1131984211.db2.gz JHKJLUSYDKZHLA-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743850321 1131984215 /nfs/dbraw/zinc/98/42/15/1131984215.db2.gz JHKJLUSYDKZHLA-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743850322 1131984296 /nfs/dbraw/zinc/98/42/96/1131984296.db2.gz JHKJLUSYDKZHLA-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743850322 1131984304 /nfs/dbraw/zinc/98/43/04/1131984304.db2.gz JHKJLUSYDKZHLA-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2cccc(Cl)n2)cn1 ZINC000743850995 1131986854 /nfs/dbraw/zinc/98/68/54/1131986854.db2.gz GBIWWDWLRJRATA-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2cccc(Cl)n2)cn1 ZINC000743850995 1131986859 /nfs/dbraw/zinc/98/68/59/1131986859.db2.gz GBIWWDWLRJRATA-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)C1 ZINC001173280422 1132041158 /nfs/dbraw/zinc/04/11/58/1132041158.db2.gz OUQLEASAHPYABS-BBWFWOEESA-N 1 2 340.471 3.812 20 0 EHADLO CC[C@@H]1CC[C@H]([N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)C1 ZINC001173280422 1132041162 /nfs/dbraw/zinc/04/11/62/1132041162.db2.gz OUQLEASAHPYABS-BBWFWOEESA-N 1 2 340.471 3.812 20 0 EHADLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)sc1Cl ZINC001249381756 1132138260 /nfs/dbraw/zinc/13/82/60/1132138260.db2.gz NBNRQMZJYORMIE-VIFPVBQESA-N 1 2 338.698 3.899 20 0 EHADLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Br)sc1Cl ZINC001249381756 1132138265 /nfs/dbraw/zinc/13/82/65/1132138265.db2.gz NBNRQMZJYORMIE-VIFPVBQESA-N 1 2 338.698 3.899 20 0 EHADLO COc1cccc(OC)c1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001173923521 1132176646 /nfs/dbraw/zinc/17/66/46/1132176646.db2.gz LPJPXKZNCBOSNB-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745085655 1132191698 /nfs/dbraw/zinc/19/16/98/1132191698.db2.gz ALNDURPKZOCPKG-INIZCTEOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745085655 1132191702 /nfs/dbraw/zinc/19/17/02/1132191702.db2.gz ALNDURPKZOCPKG-INIZCTEOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000745098158 1132194144 /nfs/dbraw/zinc/19/41/44/1132194144.db2.gz APPSUCMLNMVIRF-QGZVFWFLSA-N 1 2 330.428 3.708 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000745098158 1132194148 /nfs/dbraw/zinc/19/41/48/1132194148.db2.gz APPSUCMLNMVIRF-QGZVFWFLSA-N 1 2 330.428 3.708 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(C)cc2)no1 ZINC000745081607 1132195326 /nfs/dbraw/zinc/19/53/26/1132195326.db2.gz AEENMDXFBBTXLP-SFHVURJKSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(C)cc2)no1 ZINC000745081607 1132195329 /nfs/dbraw/zinc/19/53/29/1132195329.db2.gz AEENMDXFBBTXLP-SFHVURJKSA-N 1 2 328.412 3.568 20 0 EHADLO CN(C)c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cc2)c[nH+]1 ZINC001174073919 1132236128 /nfs/dbraw/zinc/23/61/28/1132236128.db2.gz MPFVGVUNFDKFHT-UHFFFAOYSA-N 1 2 346.434 3.821 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(C(=O)NCC(C)C)cc2)c[nH+]1 ZINC001174077607 1132237620 /nfs/dbraw/zinc/23/76/20/1132237620.db2.gz NJWZLYITTVVWQU-UHFFFAOYSA-N 1 2 326.444 3.667 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174148360 1132255238 /nfs/dbraw/zinc/25/52/38/1132255238.db2.gz RNUZYDNMMXCQSI-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO Cn1c[nH+]c2cc(Nc3cccc(C(=O)NC4CCCC4)c3)ccc21 ZINC001174198318 1132280925 /nfs/dbraw/zinc/28/09/25/1132280925.db2.gz DGURQTRSQAZZNF-UHFFFAOYSA-N 1 2 334.423 3.989 20 0 EHADLO CC(=O)NCc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001174232181 1132293122 /nfs/dbraw/zinc/29/31/22/1132293122.db2.gz IKDSTJGHFYUAMR-UHFFFAOYSA-N 1 2 325.799 3.690 20 0 EHADLO Cc1cn2c(cccc2Nc2ccc(S(=O)(=O)C(C)C)cc2)[nH+]1 ZINC001174267262 1132305253 /nfs/dbraw/zinc/30/52/53/1132305253.db2.gz FLQYLIJGYRGUFV-UHFFFAOYSA-N 1 2 329.425 3.568 20 0 EHADLO Brc1cc(Nc2ccc3n[nH]cc3c2)c2[nH+]ccn2c1 ZINC001174272893 1132308425 /nfs/dbraw/zinc/30/84/25/1132308425.db2.gz LIIISLABLQWQQC-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Cc1c(Nc2ccc3c(c2)[nH+]cn3C(C)C)cnn1[C@H]1CCOC1 ZINC001174381494 1132343945 /nfs/dbraw/zinc/34/39/45/1132343945.db2.gz LOKXZUVJXJMOJZ-HNNXBMFYSA-N 1 2 325.416 3.827 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1F)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746033337 1132351488 /nfs/dbraw/zinc/35/14/88/1132351488.db2.gz OPXALRVSFBEUTN-LJQANCHMSA-N 1 2 326.415 3.967 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1F)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746033337 1132351496 /nfs/dbraw/zinc/35/14/96/1132351496.db2.gz OPXALRVSFBEUTN-LJQANCHMSA-N 1 2 326.415 3.967 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001174520457 1132397971 /nfs/dbraw/zinc/39/79/71/1132397971.db2.gz USQSSXMWVLKVJX-UHFFFAOYSA-N 1 2 335.411 3.816 20 0 EHADLO CCOC(=O)c1nc(C)sc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523481 1132400401 /nfs/dbraw/zinc/40/04/01/1132400401.db2.gz PVCZNCUOEPWNFG-UHFFFAOYSA-N 1 2 346.456 3.757 20 0 EHADLO CC(=O)c1cc2c(cc1Nc1ccc(N3CCCCC3)[nH+]c1)OCO2 ZINC001174523580 1132400528 /nfs/dbraw/zinc/40/05/28/1132400528.db2.gz PLQMWNNVVJGDFG-UHFFFAOYSA-N 1 2 339.395 3.747 20 0 EHADLO CC(C)c1cnn2cc(Nc3ccc(N4CCCCC4)[nH+]c3)cnc12 ZINC001174522548 1132400656 /nfs/dbraw/zinc/40/06/56/1132400656.db2.gz RBVCVFTXRFNIKQ-UHFFFAOYSA-N 1 2 336.443 3.982 20 0 EHADLO CCC(C)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000185473853 1132414899 /nfs/dbraw/zinc/41/48/99/1132414899.db2.gz DBAZAEQEKLTZAL-MRXNPFEDSA-N 1 2 332.488 3.727 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)CCc2c[nH]c[nH+]2)s1 ZINC000188774108 1132437942 /nfs/dbraw/zinc/43/79/42/1132437942.db2.gz DGUWVSCCNYLWMD-UHFFFAOYSA-N 1 2 329.425 3.534 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)CCc2c[nH+]c[nH]2)s1 ZINC000188774108 1132437944 /nfs/dbraw/zinc/43/79/44/1132437944.db2.gz DGUWVSCCNYLWMD-UHFFFAOYSA-N 1 2 329.425 3.534 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189380231 1132444022 /nfs/dbraw/zinc/44/40/22/1132444022.db2.gz MJMGDHNWVLNNQO-UHFFFAOYSA-N 1 2 333.391 3.583 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000189380231 1132444026 /nfs/dbraw/zinc/44/40/26/1132444026.db2.gz MJMGDHNWVLNNQO-UHFFFAOYSA-N 1 2 333.391 3.583 20 0 EHADLO Cc1c(Cl)cccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000195378977 1132496985 /nfs/dbraw/zinc/49/69/85/1132496985.db2.gz JCESZDHKBJLUHE-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)C(=O)OC ZINC001174925167 1132507954 /nfs/dbraw/zinc/50/79/54/1132507954.db2.gz QBGQKKPQDRENLQ-NKKGCODLSA-N 1 2 341.879 3.575 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976730 1132511797 /nfs/dbraw/zinc/51/17/97/1132511797.db2.gz FJWGJWZSTLYBDF-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO c1cncc(-c2cccc(Nc3ccc(N4CCOCC4)[nH+]c3)c2)c1 ZINC001174977593 1132511872 /nfs/dbraw/zinc/51/18/72/1132511872.db2.gz VRLJOAORGHLIPC-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1ccc2c(c1C)OC[C@H]2Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766404607 1132531753 /nfs/dbraw/zinc/53/17/53/1132531753.db2.gz HAQHZJZQAFLUNG-OAHLLOKOSA-N 1 2 337.427 3.744 20 0 EHADLO CC(C)Oc1cc(F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980652 1132533998 /nfs/dbraw/zinc/53/39/98/1132533998.db2.gz ZFENVRSICXKQNZ-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CC(C)Oc1c(F)cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001174980120 1132534012 /nfs/dbraw/zinc/53/40/12/1132534012.db2.gz OVICULUOZXNVTG-UHFFFAOYSA-N 1 2 349.381 3.727 20 0 EHADLO COc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1C(C)C ZINC001174979654 1132534573 /nfs/dbraw/zinc/53/45/73/1132534573.db2.gz PFBPDCXWIZGPTO-UHFFFAOYSA-N 1 2 327.428 3.794 20 0 EHADLO CC(=O)N1CCC[C@@H](CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001168784858 1132535556 /nfs/dbraw/zinc/53/55/56/1132535556.db2.gz RJYGWKYFSZIVLM-INIZCTEOSA-N 1 2 348.450 3.900 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c1 ZINC001175092665 1132566335 /nfs/dbraw/zinc/56/63/35/1132566335.db2.gz NGNIXLYYNNZVOI-ZIAGYGMSSA-N 1 2 342.443 3.541 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)nc(C)[nH+]2)c1 ZINC001175092665 1132566339 /nfs/dbraw/zinc/56/63/39/1132566339.db2.gz NGNIXLYYNNZVOI-ZIAGYGMSSA-N 1 2 342.443 3.541 20 0 EHADLO Cc1ccc([C@@H](C)Nc2c(Br)ccc3[nH+]ccn32)nc1 ZINC001168859777 1132583037 /nfs/dbraw/zinc/58/30/37/1132583037.db2.gz GCUYIAWVGMMTQU-LLVKDONJSA-N 1 2 331.217 3.973 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1Cl)[NH2+]CCc1cccc(F)c1 ZINC001175175710 1132589065 /nfs/dbraw/zinc/58/90/65/1132589065.db2.gz VRFFPCHUMSNBAX-GOSISDBHSA-N 1 2 349.833 3.786 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)cs1 ZINC000766527177 1132591031 /nfs/dbraw/zinc/59/10/31/1132591031.db2.gz GEYBZNXVDGBDFE-UONOGXRCSA-N 1 2 342.468 3.887 20 0 EHADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)n(Cc2cccc(F)c2)n1 ZINC001175342361 1132626574 /nfs/dbraw/zinc/62/65/74/1132626574.db2.gz SXEMWQHFCFKXPN-UHFFFAOYSA-N 1 2 325.391 3.584 20 0 EHADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)n(Cc2ccc(F)cc2)n1 ZINC001175341730 1132626712 /nfs/dbraw/zinc/62/67/12/1132626712.db2.gz NPCLLBSDUKHUJY-UHFFFAOYSA-N 1 2 325.391 3.584 20 0 EHADLO COC(=O)c1ccc(-c2cccc(Nc3ccc(N(C)C)[nH+]c3)c2)o1 ZINC001175343162 1132627379 /nfs/dbraw/zinc/62/73/79/1132627379.db2.gz ZRXXQCVRSYOQAB-UHFFFAOYSA-N 1 2 337.379 3.938 20 0 EHADLO CN(C)c1ccc(Nc2ccc3c(Br)nn(C)c3c2)c[nH+]1 ZINC001175344293 1132627792 /nfs/dbraw/zinc/62/77/92/1132627792.db2.gz DALQFKNSBYSOKN-UHFFFAOYSA-N 1 2 346.232 3.540 20 0 EHADLO COc1cc(Br)nc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175347320 1132629296 /nfs/dbraw/zinc/62/92/96/1132629296.db2.gz IUCPWTRDUGESKD-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COC(=O)c1cc(F)c(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175348895 1132635353 /nfs/dbraw/zinc/63/53/53/1132635353.db2.gz JCJBIOIJCNBHSZ-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO Cc1cccn2cc(CNc3cc4c5c(c3)CCC[NH+]5CCC4)nc12 ZINC001169021923 1132639332 /nfs/dbraw/zinc/63/93/32/1132639332.db2.gz BYKGXVHMDNSFOI-UHFFFAOYSA-N 1 2 332.451 3.954 20 0 EHADLO CCN(CC)C(=O)c1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350317 1132645862 /nfs/dbraw/zinc/64/58/62/1132645862.db2.gz VKFYQCJAADZFNZ-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO c1ccc(OC2CCOCC2)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349883 1132646187 /nfs/dbraw/zinc/64/61/87/1132646187.db2.gz UCOOVICSIWEPFZ-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO COc1ccc2cc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)ccc2c1 ZINC000804306767 1132653519 /nfs/dbraw/zinc/65/35/19/1132653519.db2.gz JWSDWKGQCWEQJA-UHFFFAOYSA-N 1 2 345.402 3.986 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1Cc1csnn1 ZINC001175419555 1132663511 /nfs/dbraw/zinc/66/35/11/1132663511.db2.gz XIYAOTSWQPDEMF-HNNXBMFYSA-N 1 2 325.840 3.928 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1Cc1csnn1 ZINC001175419555 1132663515 /nfs/dbraw/zinc/66/35/15/1132663515.db2.gz XIYAOTSWQPDEMF-HNNXBMFYSA-N 1 2 325.840 3.928 20 0 EHADLO COC(=O)[C@H](CC1CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001169164412 1132684541 /nfs/dbraw/zinc/68/45/41/1132684541.db2.gz JJYNJEYUBANDCO-IBGZPJMESA-N 1 2 341.455 3.855 20 0 EHADLO COC(=[NH2+])c1cccc(NCc2cc(C)c(Br)cn2)c1 ZINC001169201180 1132690209 /nfs/dbraw/zinc/69/02/09/1132690209.db2.gz DXPIFZKNLGDNQE-UHFFFAOYSA-N 1 2 334.217 3.736 20 0 EHADLO Cc1ccc(Nc2ccc3cc(NS(C)(=O)=O)ccc3c2)[nH+]c1 ZINC001175527359 1132700291 /nfs/dbraw/zinc/70/02/91/1132700291.db2.gz JNCCAFUUENEYOT-UHFFFAOYSA-N 1 2 327.409 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001175587019 1132705723 /nfs/dbraw/zinc/70/57/23/1132705723.db2.gz LUYDORVQDISBRW-SFHVURJKSA-N 1 2 347.575 3.928 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001175587019 1132705729 /nfs/dbraw/zinc/70/57/29/1132705729.db2.gz LUYDORVQDISBRW-SFHVURJKSA-N 1 2 347.575 3.928 20 0 EHADLO CC(=O)c1c(C)[nH]c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1C ZINC001212588748 1132727261 /nfs/dbraw/zinc/72/72/61/1132727261.db2.gz BLZCNGVVXZLLND-UHFFFAOYSA-N 1 2 347.378 3.737 20 0 EHADLO COc1cc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1OC ZINC001175712566 1132740279 /nfs/dbraw/zinc/74/02/79/1132740279.db2.gz DHTKXUNWMPVVHF-UHFFFAOYSA-N 1 2 327.306 3.752 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(-n3ccccc3=O)cc2)c[nH+]1 ZINC001175715110 1132742083 /nfs/dbraw/zinc/74/20/83/1132742083.db2.gz KJYJIBHBQXULEY-UHFFFAOYSA-N 1 2 346.312 3.577 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC001169420866 1132749838 /nfs/dbraw/zinc/74/98/38/1132749838.db2.gz WDRYDWVNGXSWMR-CQSZACIVSA-N 1 2 344.405 3.967 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC001169420866 1132749845 /nfs/dbraw/zinc/74/98/45/1132749845.db2.gz WDRYDWVNGXSWMR-CQSZACIVSA-N 1 2 344.405 3.967 20 0 EHADLO Brc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC001175747685 1132751855 /nfs/dbraw/zinc/75/18/55/1132751855.db2.gz YFIBWOWQLGBQNV-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO CCOc1ccc(NC(=O)c2cccc3[nH+]ccn32)c2ncccc12 ZINC000766699938 1132753854 /nfs/dbraw/zinc/75/38/54/1132753854.db2.gz DNWQRNNPESFZRK-UHFFFAOYSA-N 1 2 332.363 3.534 20 0 EHADLO COc1ccccc1[C@@H]1CSCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001175945356 1132790507 /nfs/dbraw/zinc/79/05/07/1132790507.db2.gz DKTKLAWMSHRDNO-INIZCTEOSA-N 1 2 331.485 3.715 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC001175945356 1132790511 /nfs/dbraw/zinc/79/05/11/1132790511.db2.gz DKTKLAWMSHRDNO-INIZCTEOSA-N 1 2 331.485 3.715 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1nc(C)c(C)[nH]1 ZINC001175945356 1132790518 /nfs/dbraw/zinc/79/05/18/1132790518.db2.gz DKTKLAWMSHRDNO-INIZCTEOSA-N 1 2 331.485 3.715 20 0 EHADLO COCC1=CC[N@H+](Cc2cccc(Cl)c2Br)CC1 ZINC001169613248 1132805454 /nfs/dbraw/zinc/80/54/54/1132805454.db2.gz HPQFEHWQOWQGGE-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2cccc(Cl)c2Br)CC1 ZINC001169613248 1132805462 /nfs/dbraw/zinc/80/54/62/1132805462.db2.gz HPQFEHWQOWQGGE-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000766801553 1132838056 /nfs/dbraw/zinc/83/80/56/1132838056.db2.gz HCTOHMFUONFDEI-HNNXBMFYSA-N 1 2 338.238 3.938 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC001176119382 1132851824 /nfs/dbraw/zinc/85/18/24/1132851824.db2.gz RFIUUGDTTCNKIP-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(C)c1I ZINC001176124001 1132852926 /nfs/dbraw/zinc/85/29/26/1132852926.db2.gz MHBXNMNSLZWUET-UHFFFAOYSA-N 1 2 340.164 3.747 20 0 EHADLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1c(Cl)cncc1Cl ZINC001176186327 1132859818 /nfs/dbraw/zinc/85/98/18/1132859818.db2.gz YXOSLPMCLAOUAV-UHFFFAOYSA-N 1 2 339.222 3.792 20 0 EHADLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1c(Cl)cncc1Cl ZINC001176186327 1132859827 /nfs/dbraw/zinc/85/98/27/1132859827.db2.gz YXOSLPMCLAOUAV-UHFFFAOYSA-N 1 2 339.222 3.792 20 0 EHADLO c1csc(Cn2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn2)c1 ZINC001176162292 1132868925 /nfs/dbraw/zinc/86/89/25/1132868925.db2.gz VXLXODKQJCFIKK-UHFFFAOYSA-N 1 2 335.436 3.981 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cc(F)cc(C(=O)N(CC)CC)c1 ZINC001176297076 1132906008 /nfs/dbraw/zinc/90/60/08/1132906008.db2.gz JZHPAPCONCEONX-UHFFFAOYSA-N 1 2 331.391 3.845 20 0 EHADLO COc1ccc(O)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001176575117 1132970630 /nfs/dbraw/zinc/97/06/30/1132970630.db2.gz UZZIQOVDEPIYLD-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO COCCCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176750718 1132993011 /nfs/dbraw/zinc/99/30/11/1132993011.db2.gz JRCVVTQSMRZEDU-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC001176827363 1133002633 /nfs/dbraw/zinc/00/26/33/1133002633.db2.gz KFDPCOITAKNCOS-UHFFFAOYSA-N 1 2 330.391 3.594 20 0 EHADLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC001176899241 1133013470 /nfs/dbraw/zinc/01/34/70/1133013470.db2.gz XUZNDMIGKKYDTC-UHFFFAOYSA-N 1 2 346.805 3.536 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC001176974094 1133017055 /nfs/dbraw/zinc/01/70/55/1133017055.db2.gz SEEXSZWVBDZMEP-QZTJIDSGSA-N 1 2 337.467 3.792 20 0 EHADLO COc1cc(C)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C ZINC001176968102 1133017819 /nfs/dbraw/zinc/01/78/19/1133017819.db2.gz ZFKXEDBFGXFQPK-MRXNPFEDSA-N 1 2 339.439 3.562 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCCC[C@@]23CCCOC3)nc2cc(Cl)ccc21 ZINC001177015751 1133022792 /nfs/dbraw/zinc/02/27/92/1133022792.db2.gz OFHXDZJKOYWJCB-SFHVURJKSA-N 1 2 347.846 3.524 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCCC[C@@]23CCCOC3)nc2cc(Cl)ccc21 ZINC001177015751 1133022798 /nfs/dbraw/zinc/02/27/98/1133022798.db2.gz OFHXDZJKOYWJCB-SFHVURJKSA-N 1 2 347.846 3.524 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001177033614 1133023985 /nfs/dbraw/zinc/02/39/85/1133023985.db2.gz LLLHDNSLSGQMOD-RCBQFDQVSA-N 1 2 325.811 3.785 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001177033614 1133023990 /nfs/dbraw/zinc/02/39/90/1133023990.db2.gz LLLHDNSLSGQMOD-RCBQFDQVSA-N 1 2 325.811 3.785 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001177046914 1133025502 /nfs/dbraw/zinc/02/55/02/1133025502.db2.gz VASXDBDIHVVEJE-GOSISDBHSA-N 1 2 330.447 3.611 20 0 EHADLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccccn2)nc1=S ZINC000767763444 1133048805 /nfs/dbraw/zinc/04/88/05/1133048805.db2.gz CFPXADVQDTYXRB-CQSZACIVSA-N 1 2 331.489 3.861 20 0 EHADLO CC(C)CC[C@H]1CCC[N@H+]1Cn1[nH]c(-c2ccccn2)nc1=S ZINC000767763444 1133048809 /nfs/dbraw/zinc/04/88/09/1133048809.db2.gz CFPXADVQDTYXRB-CQSZACIVSA-N 1 2 331.489 3.861 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1cccc(F)c1 ZINC000773670816 1133071701 /nfs/dbraw/zinc/07/17/01/1133071701.db2.gz SDNTVUBIKCIDNH-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1cccc(F)c1 ZINC000773670816 1133071705 /nfs/dbraw/zinc/07/17/05/1133071705.db2.gz SDNTVUBIKCIDNH-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767938715 1133073646 /nfs/dbraw/zinc/07/36/46/1133073646.db2.gz OAWILTDSFSBSNY-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c(C)c[nH+]1 ZINC000767949800 1133074998 /nfs/dbraw/zinc/07/49/98/1133074998.db2.gz ZCOROLDEDUUPSU-QGZVFWFLSA-N 1 2 337.423 3.688 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177621705 1133087306 /nfs/dbraw/zinc/08/73/06/1133087306.db2.gz FWFOETWFXNRCNA-KRWDZBQOSA-N 1 2 328.412 3.590 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177621705 1133087311 /nfs/dbraw/zinc/08/73/11/1133087311.db2.gz FWFOETWFXNRCNA-KRWDZBQOSA-N 1 2 328.412 3.590 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000768145596 1133097157 /nfs/dbraw/zinc/09/71/57/1133097157.db2.gz SCDQASVVYCQZKX-YRNVUSSQSA-N 1 2 336.222 3.677 20 0 EHADLO C[C@H](C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1)n1cc[nH+]c1 ZINC001177922976 1133114070 /nfs/dbraw/zinc/11/40/70/1133114070.db2.gz SMQLZODYJKYMIG-CQSZACIVSA-N 1 2 335.411 3.671 20 0 EHADLO Cc1cc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cnc1Cl ZINC000768224859 1133114638 /nfs/dbraw/zinc/11/46/38/1133114638.db2.gz ATUINTHNPQGYNG-UHFFFAOYSA-N 1 2 344.842 3.844 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001177997003 1133122273 /nfs/dbraw/zinc/12/22/73/1133122273.db2.gz UNQLEHRSQNJPNV-UHFFFAOYSA-N 1 2 339.345 3.830 20 0 EHADLO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000217 1133122758 /nfs/dbraw/zinc/12/27/58/1133122758.db2.gz CSERVQGINBUVLH-INIZCTEOSA-N 1 2 338.455 3.741 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC(C)(C)CC(C)(C)C2)c1C ZINC000768311776 1133124066 /nfs/dbraw/zinc/12/40/66/1133124066.db2.gz PUUICXUKGLYHCS-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC001204212048 1133142463 /nfs/dbraw/zinc/14/24/63/1133142463.db2.gz NCIQLUXZPKHOAZ-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)CC2 ZINC001178351119 1133157884 /nfs/dbraw/zinc/15/78/84/1133157884.db2.gz LHFMLXIHXCHVMC-MJGOQNOKSA-N 1 2 347.499 3.899 20 0 EHADLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001178405584 1133166758 /nfs/dbraw/zinc/16/67/58/1133166758.db2.gz HEBCLMUKMSUBNM-UHFFFAOYSA-N 1 2 339.370 3.923 20 0 EHADLO Cc1ccc(CCC(=O)NCCOc2cc[nH+]cc2)c2ccccc12 ZINC001178600591 1133184859 /nfs/dbraw/zinc/18/48/59/1133184859.db2.gz QGQFYPCHVFUNHK-UHFFFAOYSA-N 1 2 334.419 3.671 20 0 EHADLO CCOc1ccc(C2=CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000768855202 1133186679 /nfs/dbraw/zinc/18/66/79/1133186679.db2.gz AIYGKFJXJZFCKG-UHFFFAOYSA-N 1 2 347.418 3.663 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000773767083 1133194244 /nfs/dbraw/zinc/19/42/44/1133194244.db2.gz VMNVBVBODKYKDE-UYAOXDASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000773767083 1133194248 /nfs/dbraw/zinc/19/42/48/1133194248.db2.gz VMNVBVBODKYKDE-UYAOXDASSA-N 1 2 345.870 3.973 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC000768984641 1133210323 /nfs/dbraw/zinc/21/03/23/1133210323.db2.gz HFAQZTDZSATRHZ-UHFFFAOYSA-N 1 2 329.831 3.560 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC000768984641 1133210327 /nfs/dbraw/zinc/21/03/27/1133210327.db2.gz HFAQZTDZSATRHZ-UHFFFAOYSA-N 1 2 329.831 3.560 20 0 EHADLO C/C(=C\C(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1Cl ZINC001178922513 1133213428 /nfs/dbraw/zinc/21/34/28/1133213428.db2.gz NRBUIDMJAWDPHP-ZRDIBKRKSA-N 1 2 329.831 3.662 20 0 EHADLO Cc1cccn2c(CN[C@@H](CCc3ccccc3)C(F)F)c[nH+]c12 ZINC001179159776 1133233088 /nfs/dbraw/zinc/23/30/88/1133233088.db2.gz RAZRLMSTBBDQCH-KRWDZBQOSA-N 1 2 329.394 3.999 20 0 EHADLO COc1cc(NCc2cccc3[nH+]ccn32)c2nccc(OC)c2c1 ZINC001179506949 1133257835 /nfs/dbraw/zinc/25/78/35/1133257835.db2.gz NDUBOBFNSYBKNM-UHFFFAOYSA-N 1 2 334.379 3.512 20 0 EHADLO c1ccc2c(c1)C[NH+](Cc1cc3ccccc3nc1N1CCOCC1)C2 ZINC000769337917 1133265444 /nfs/dbraw/zinc/26/54/44/1133265444.db2.gz MFKIWJIFNAKRDV-UHFFFAOYSA-N 1 2 345.446 3.587 20 0 EHADLO Fc1cccc(/C=C\C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC001179579860 1133265782 /nfs/dbraw/zinc/26/57/82/1133265782.db2.gz WPTSSDUBKHAHNX-XQRVVYSFSA-N 1 2 341.361 3.742 20 0 EHADLO O=C(/C=C/c1cc(F)c(F)cc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001179879632 1133298212 /nfs/dbraw/zinc/29/82/12/1133298212.db2.gz HLRUVQGCQTXOSR-LZCJLJQNSA-N 1 2 343.308 3.942 20 0 EHADLO COC(=O)C[N@H+](CCC(C)(C)SC)Cc1ccc(Cl)cc1 ZINC001180039341 1133320807 /nfs/dbraw/zinc/32/08/07/1133320807.db2.gz TVNSOJJJQOLQGR-UHFFFAOYSA-N 1 2 329.893 3.847 20 0 EHADLO COC(=O)C[N@@H+](CCC(C)(C)SC)Cc1ccc(Cl)cc1 ZINC001180039341 1133320810 /nfs/dbraw/zinc/32/08/10/1133320810.db2.gz TVNSOJJJQOLQGR-UHFFFAOYSA-N 1 2 329.893 3.847 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769753710 1133336765 /nfs/dbraw/zinc/33/67/65/1133336765.db2.gz OUIPAHFVYPYQCO-WCRPCQDQSA-N 1 2 343.858 3.883 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC001180161932 1133340589 /nfs/dbraw/zinc/34/05/89/1133340589.db2.gz RUUYXNHMQGKASB-LJQANCHMSA-N 1 2 337.471 3.825 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC001180161932 1133340594 /nfs/dbraw/zinc/34/05/94/1133340594.db2.gz RUUYXNHMQGKASB-LJQANCHMSA-N 1 2 337.471 3.825 20 0 EHADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000769799353 1133348318 /nfs/dbraw/zinc/34/83/18/1133348318.db2.gz USEBVCADKUNMNN-AWEZNQCLSA-N 1 2 334.529 3.894 20 0 EHADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCCC3(CC3)C2)C1 ZINC000769799353 1133348325 /nfs/dbraw/zinc/34/83/25/1133348325.db2.gz USEBVCADKUNMNN-AWEZNQCLSA-N 1 2 334.529 3.894 20 0 EHADLO CCNc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC001180271054 1133352183 /nfs/dbraw/zinc/35/21/83/1133352183.db2.gz APNJTNVNASXRBJ-UHFFFAOYSA-N 1 2 331.847 3.842 20 0 EHADLO CCNc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC001180271054 1133352190 /nfs/dbraw/zinc/35/21/90/1133352190.db2.gz APNJTNVNASXRBJ-UHFFFAOYSA-N 1 2 331.847 3.842 20 0 EHADLO Clc1cnc(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000769914992 1133358411 /nfs/dbraw/zinc/35/84/11/1133358411.db2.gz TVAWYJDFRUXVCU-UHFFFAOYSA-N 1 2 339.251 3.925 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(F)(F)C(F)F)C1CCCC1 ZINC000769919601 1133359298 /nfs/dbraw/zinc/35/92/98/1133359298.db2.gz AMHPQIQHNDEIBZ-LLVKDONJSA-N 1 2 342.377 3.560 20 0 EHADLO COC(=O)c1cc(C[N@H+](Cc2ccco2)Cc2ccccc2)[nH]c1C ZINC001180359703 1133361454 /nfs/dbraw/zinc/36/14/54/1133361454.db2.gz SIPFSPXJWXQLJD-UHFFFAOYSA-N 1 2 338.407 3.905 20 0 EHADLO COC(=O)c1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2)[nH]c1C ZINC001180359703 1133361460 /nfs/dbraw/zinc/36/14/60/1133361460.db2.gz SIPFSPXJWXQLJD-UHFFFAOYSA-N 1 2 338.407 3.905 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC001180368946 1133367684 /nfs/dbraw/zinc/36/76/84/1133367684.db2.gz XLKVRHMNTHUHES-UHFFFAOYSA-N 1 2 348.487 3.837 20 0 EHADLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001180412944 1133372507 /nfs/dbraw/zinc/37/25/07/1133372507.db2.gz MVUJKGWZFUYRFZ-AWEZNQCLSA-N 1 2 347.484 3.774 20 0 EHADLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@H]1c1cccs1 ZINC001180412944 1133372512 /nfs/dbraw/zinc/37/25/12/1133372512.db2.gz MVUJKGWZFUYRFZ-AWEZNQCLSA-N 1 2 347.484 3.774 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770000964 1133376018 /nfs/dbraw/zinc/37/60/18/1133376018.db2.gz HWSXNHUBMAPNLO-MRXNPFEDSA-N 1 2 329.893 3.690 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770000964 1133376023 /nfs/dbraw/zinc/37/60/23/1133376023.db2.gz HWSXNHUBMAPNLO-MRXNPFEDSA-N 1 2 329.893 3.690 20 0 EHADLO CCCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc2C1 ZINC000770080072 1133385138 /nfs/dbraw/zinc/38/51/38/1133385138.db2.gz XFSYUFIFYHQQRH-GOSISDBHSA-N 1 2 333.435 3.744 20 0 EHADLO O=C(CCn1ccc2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180666901 1133405334 /nfs/dbraw/zinc/40/53/34/1133405334.db2.gz SNATXPZUORXKQT-UHFFFAOYSA-N 1 2 344.418 3.915 20 0 EHADLO CCC[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H](CC)C(=O)OCC ZINC001180858763 1133421949 /nfs/dbraw/zinc/42/19/49/1133421949.db2.gz UUESBROUCCYYFM-INIZCTEOSA-N 1 2 339.863 3.829 20 0 EHADLO CCC[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H](CC)C(=O)OCC ZINC001180858763 1133421953 /nfs/dbraw/zinc/42/19/53/1133421953.db2.gz UUESBROUCCYYFM-INIZCTEOSA-N 1 2 339.863 3.829 20 0 EHADLO O=C(NCc1ccccc1OC1CCCC1)c1cccc2[nH+]ccn21 ZINC000770410817 1133425198 /nfs/dbraw/zinc/42/51/98/1133425198.db2.gz CVYFIVRFUWUMNU-UHFFFAOYSA-N 1 2 335.407 3.586 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770427671 1133428710 /nfs/dbraw/zinc/42/87/10/1133428710.db2.gz SPSRKMWYVCEEHB-ZDUSSCGKSA-N 1 2 327.815 3.691 20 0 EHADLO C[C@]1(Br)C[C@H]1C[N@@H+]1Cc2cccc(Br)c2C1 ZINC001181066230 1133445257 /nfs/dbraw/zinc/44/52/57/1133445257.db2.gz SYGPLIOUWQNZLI-GWCFXTLKSA-N 1 2 345.078 3.938 20 0 EHADLO C[C@]1(Br)C[C@H]1C[N@H+]1Cc2cccc(Br)c2C1 ZINC001181066230 1133445261 /nfs/dbraw/zinc/44/52/61/1133445261.db2.gz SYGPLIOUWQNZLI-GWCFXTLKSA-N 1 2 345.078 3.938 20 0 EHADLO C[C@@]1(Br)C[C@H]1C[N@@H+]1Cc2cccc(Br)c2C1 ZINC001181066231 1133445737 /nfs/dbraw/zinc/44/57/37/1133445737.db2.gz SYGPLIOUWQNZLI-GXFFZTMASA-N 1 2 345.078 3.938 20 0 EHADLO C[C@@]1(Br)C[C@H]1C[N@H+]1Cc2cccc(Br)c2C1 ZINC001181066231 1133445739 /nfs/dbraw/zinc/44/57/39/1133445739.db2.gz SYGPLIOUWQNZLI-GXFFZTMASA-N 1 2 345.078 3.938 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl ZINC001181301649 1133473893 /nfs/dbraw/zinc/47/38/93/1133473893.db2.gz YREDYHGUTRMIHJ-TZMCWYRMSA-N 1 2 329.271 3.758 20 0 EHADLO CCn1c2ccccc2c2cc(NC(=O)Cc3cc[nH+]c(N)c3)ccc21 ZINC001181263453 1133474010 /nfs/dbraw/zinc/47/40/10/1133474010.db2.gz NJNDTQHFLRFIEC-UHFFFAOYSA-N 1 2 344.418 3.973 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2cccc(O)c2F)C1 ZINC001181386447 1133482436 /nfs/dbraw/zinc/48/24/36/1133482436.db2.gz LAONIPSQWPBFLC-ZDUSSCGKSA-N 1 2 345.418 3.503 20 0 EHADLO CCCC[C@H](O)CCC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001181387415 1133482465 /nfs/dbraw/zinc/48/24/65/1133482465.db2.gz VFCMPSGYPDQRIX-IRXDYDNUSA-N 1 2 349.519 3.675 20 0 EHADLO Cc1ccc(SCCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770921936 1133485053 /nfs/dbraw/zinc/48/50/53/1133485053.db2.gz GKHLAROJMRSILN-UHFFFAOYSA-N 1 2 326.421 3.868 20 0 EHADLO COc1ccc(C2(C(=O)OCc3cccc4[nH+]ccn43)CCC2)cc1 ZINC000770927864 1133486165 /nfs/dbraw/zinc/48/61/65/1133486165.db2.gz WEWWAPDRWONHEF-UHFFFAOYSA-N 1 2 336.391 3.508 20 0 EHADLO CSc1ccc(O[C@@H](C)C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770931288 1133486859 /nfs/dbraw/zinc/48/68/59/1133486859.db2.gz SRJCDRVDUVQZHH-ZDUSSCGKSA-N 1 2 342.420 3.567 20 0 EHADLO Cc1cc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)cc(Cl)n1 ZINC001181945493 1133554601 /nfs/dbraw/zinc/55/46/01/1133554601.db2.gz NCTLBOGNTPBCNH-UHFFFAOYSA-N 1 2 327.819 3.759 20 0 EHADLO Cc1ccccc1-c1ccccc1C[NH+]1CC(OC(=O)NC(C)C)C1 ZINC001182228365 1133593515 /nfs/dbraw/zinc/59/35/15/1133593515.db2.gz YBIPCQGTZWMWGK-UHFFFAOYSA-N 1 2 338.451 3.981 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1cncc(O)c1)c1ccccc1 ZINC001182235781 1133595957 /nfs/dbraw/zinc/59/59/57/1133595957.db2.gz HFEMLTSZXLFECN-FQEVSTJZSA-N 1 2 347.418 3.599 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1cncc(O)c1)c1ccccc1 ZINC001182235781 1133595963 /nfs/dbraw/zinc/59/59/63/1133595963.db2.gz HFEMLTSZXLFECN-FQEVSTJZSA-N 1 2 347.418 3.599 20 0 EHADLO CCOCC[N@H+](C)CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000772374965 1133680094 /nfs/dbraw/zinc/68/00/94/1133680094.db2.gz PCJCNYQCAGCBTE-QGZVFWFLSA-N 1 2 342.483 3.865 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000772374965 1133680097 /nfs/dbraw/zinc/68/00/97/1133680097.db2.gz PCJCNYQCAGCBTE-QGZVFWFLSA-N 1 2 342.483 3.865 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@]12CC[C@H](O1)c1ccccc12 ZINC001182481837 1133693370 /nfs/dbraw/zinc/69/33/70/1133693370.db2.gz HIXPATDKPMDKNP-AZUAARDMSA-N 1 2 331.375 3.571 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001182489344 1133694736 /nfs/dbraw/zinc/69/47/36/1133694736.db2.gz KDNSSSOYQPUMGQ-CXAGYDPISA-N 1 2 345.443 3.612 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001182489344 1133694740 /nfs/dbraw/zinc/69/47/40/1133694740.db2.gz KDNSSSOYQPUMGQ-CXAGYDPISA-N 1 2 345.443 3.612 20 0 EHADLO CC1(C)c2ccccc2CC[N@H+]1Cc1ncc(Br)cc1O ZINC001182520494 1133697270 /nfs/dbraw/zinc/69/72/70/1133697270.db2.gz HTHZFVYUPLZEHN-UHFFFAOYSA-N 1 2 347.256 3.843 20 0 EHADLO CC1(C)c2ccccc2CC[N@@H+]1Cc1ncc(Br)cc1O ZINC001182520494 1133697273 /nfs/dbraw/zinc/69/72/73/1133697273.db2.gz HTHZFVYUPLZEHN-UHFFFAOYSA-N 1 2 347.256 3.843 20 0 EHADLO Cc1cc(CC(=O)Nc2ccn3cc[nH+]c3c2)cc(C(F)(F)F)c1 ZINC001182673967 1133714233 /nfs/dbraw/zinc/71/42/33/1133714233.db2.gz RADLHWRNYAQILF-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500668 1133714346 /nfs/dbraw/zinc/71/43/46/1133714346.db2.gz HVWOPBXTIKKIRF-SFHVURJKSA-N 1 2 343.858 3.977 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500668 1133714350 /nfs/dbraw/zinc/71/43/50/1133714350.db2.gz HVWOPBXTIKKIRF-SFHVURJKSA-N 1 2 343.858 3.977 20 0 EHADLO CC[C@@H](c1noc([C@H](C)[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000785587163 1133723468 /nfs/dbraw/zinc/72/34/68/1133723468.db2.gz FLWUWSDSLWFOMH-GXFFZTMASA-N 1 2 338.249 3.997 20 0 EHADLO O=C(/C=C\c1ccsc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785609794 1133725817 /nfs/dbraw/zinc/72/58/17/1133725817.db2.gz IZACDDYHMHJTCJ-PLNGDYQASA-N 1 2 346.883 3.589 20 0 EHADLO O=C(/C=C\c1ccsc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785609794 1133725821 /nfs/dbraw/zinc/72/58/21/1133725821.db2.gz IZACDDYHMHJTCJ-PLNGDYQASA-N 1 2 346.883 3.589 20 0 EHADLO O=C(/C=C/c1cccs1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785609063 1133727286 /nfs/dbraw/zinc/72/72/86/1133727286.db2.gz YFPPPIIPZVIILB-VOTSOKGWSA-N 1 2 346.883 3.589 20 0 EHADLO O=C(/C=C/c1cccs1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785609063 1133727290 /nfs/dbraw/zinc/72/72/90/1133727290.db2.gz YFPPPIIPZVIILB-VOTSOKGWSA-N 1 2 346.883 3.589 20 0 EHADLO Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)C2 ZINC001182960140 1133751472 /nfs/dbraw/zinc/75/14/72/1133751472.db2.gz OUIGNKQPAYPKKJ-SJORKVTESA-N 1 2 335.369 3.985 20 0 EHADLO C[N@@H+]1CCc2ncnc(NC/C(=C/F)CCc3ccc(F)cc3)c2C1 ZINC001170051388 1133762952 /nfs/dbraw/zinc/76/29/52/1133762952.db2.gz ZPBOYPFSSALZCZ-XNTDXEJSSA-N 1 2 344.409 3.502 20 0 EHADLO C[N@H+]1CCc2ncnc(NC/C(=C/F)CCc3ccc(F)cc3)c2C1 ZINC001170051388 1133762957 /nfs/dbraw/zinc/76/29/57/1133762957.db2.gz ZPBOYPFSSALZCZ-XNTDXEJSSA-N 1 2 344.409 3.502 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@H+](Cc2cccnc2Cl)C3)cc1 ZINC000781352448 1133846386 /nfs/dbraw/zinc/84/63/86/1133846386.db2.gz VEOYXRCJNRYJGJ-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@@H+](Cc2cccnc2Cl)C3)cc1 ZINC000781352448 1133846388 /nfs/dbraw/zinc/84/63/88/1133846388.db2.gz VEOYXRCJNRYJGJ-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cc2ccccc2o1 ZINC000786444024 1133849919 /nfs/dbraw/zinc/84/99/19/1133849919.db2.gz GOQCLJFQEBGLBU-HNNXBMFYSA-N 1 2 332.407 3.923 20 0 EHADLO O=C(Nc1ccc(-c2cccnc2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183753770 1133854272 /nfs/dbraw/zinc/85/42/72/1133854272.db2.gz UOXJMTOPGUWRAQ-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ccc(-c2cccnc2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183753770 1133854278 /nfs/dbraw/zinc/85/42/78/1133854278.db2.gz UOXJMTOPGUWRAQ-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO Cc1ccc2cc(C[N@H+](C)CC(=O)NCCC3=CCCCC3)[nH]c2c1 ZINC001183958723 1133881584 /nfs/dbraw/zinc/88/15/84/1133881584.db2.gz NCZKGOFYVMFQCJ-UHFFFAOYSA-N 1 2 339.483 3.915 20 0 EHADLO Cc1ccc2cc(C[N@@H+](C)CC(=O)NCCC3=CCCCC3)[nH]c2c1 ZINC001183958723 1133881588 /nfs/dbraw/zinc/88/15/88/1133881588.db2.gz NCZKGOFYVMFQCJ-UHFFFAOYSA-N 1 2 339.483 3.915 20 0 EHADLO CCn1c[nH+]cc1CN1CCc2cc(C)c(Br)cc2C1 ZINC001183972209 1133883389 /nfs/dbraw/zinc/88/33/89/1133883389.db2.gz OGJRGNOIBRTZII-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1ccsc1=O ZINC000746610755 1133907599 /nfs/dbraw/zinc/90/75/99/1133907599.db2.gz HESPVWNUJYGXPH-UHFFFAOYSA-N 1 2 330.375 3.797 20 0 EHADLO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1ccsc1=O ZINC000746610755 1133907601 /nfs/dbraw/zinc/90/76/01/1133907601.db2.gz HESPVWNUJYGXPH-UHFFFAOYSA-N 1 2 330.375 3.797 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000786881326 1133923184 /nfs/dbraw/zinc/92/31/84/1133923184.db2.gz DFOCMKVVUVZTKR-ZWKOTPCHSA-N 1 2 325.456 3.883 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(Cl)cc1 ZINC001184328430 1133927826 /nfs/dbraw/zinc/92/78/26/1133927826.db2.gz PKDOIUKNNUBVFV-GFCCVEGCSA-N 1 2 348.777 3.737 20 0 EHADLO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccn1)C(=O)OC(C)(C)C ZINC001184364795 1133935584 /nfs/dbraw/zinc/93/55/84/1133935584.db2.gz XYVLZRYPPVBDLV-FUHWJXTLSA-N 1 2 340.467 3.728 20 0 EHADLO Cc1c(C)c(C)c(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001184421577 1133938833 /nfs/dbraw/zinc/93/88/33/1133938833.db2.gz FZSQVHOYUOYWTI-GOSISDBHSA-N 1 2 339.483 3.901 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccncc1F ZINC001184462592 1133944026 /nfs/dbraw/zinc/94/40/26/1133944026.db2.gz MPAMULJAIQYVGA-UHFFFAOYSA-N 1 2 328.391 3.609 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)cn1 ZINC000787250437 1133977722 /nfs/dbraw/zinc/97/77/22/1133977722.db2.gz WUDDCOCVBDDMHL-UHFFFAOYSA-N 1 2 332.757 3.602 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)cn1 ZINC000787250437 1133977729 /nfs/dbraw/zinc/97/77/29/1133977729.db2.gz WUDDCOCVBDDMHL-UHFFFAOYSA-N 1 2 332.757 3.602 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000787272108 1133988260 /nfs/dbraw/zinc/98/82/60/1133988260.db2.gz ORLFPYBSJURGNB-KVPUOBJLSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000787272108 1133988265 /nfs/dbraw/zinc/98/82/65/1133988265.db2.gz ORLFPYBSJURGNB-KVPUOBJLSA-N 1 2 346.272 3.860 20 0 EHADLO COC(=O)c1cc(F)c(C)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185042293 1134023652 /nfs/dbraw/zinc/02/36/52/1134023652.db2.gz DHQNWIQLPMNHKX-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO CCOC(=O)CCc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185043855 1134024826 /nfs/dbraw/zinc/02/48/26/1134024826.db2.gz ORSDENIUHYATNK-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO Fc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001206035071 1134049494 /nfs/dbraw/zinc/04/94/94/1134049494.db2.gz NKRKXISRWYEYCD-OAHLLOKOSA-N 1 2 332.797 3.785 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000154036631 1134056496 /nfs/dbraw/zinc/05/64/96/1134056496.db2.gz HOFMSZPGEJWXGM-CYBMUJFWSA-N 1 2 330.428 3.737 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000788374181 1134119089 /nfs/dbraw/zinc/11/90/89/1134119089.db2.gz WUGDGQDLONRELO-UHFFFAOYSA-N 1 2 344.361 3.652 20 0 EHADLO Cc1nc(N2CCC(COc3ccc(Cl)nc3)CC2)c(C)c(C)[nH+]1 ZINC000788559759 1134142657 /nfs/dbraw/zinc/14/26/57/1134142657.db2.gz JVLURHXZIPXHRZ-UHFFFAOYSA-N 1 2 346.862 3.746 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)c(OC)c1 ZINC000788557859 1134142689 /nfs/dbraw/zinc/14/26/89/1134142689.db2.gz QRCLAORACITEOV-MRXNPFEDSA-N 1 2 333.815 3.718 20 0 EHADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170086857 1134149581 /nfs/dbraw/zinc/14/95/81/1134149581.db2.gz YPECRZWIDZKAPC-CYBMUJFWSA-N 1 2 328.815 3.532 20 0 EHADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170086857 1134149583 /nfs/dbraw/zinc/14/95/83/1134149583.db2.gz YPECRZWIDZKAPC-CYBMUJFWSA-N 1 2 328.815 3.532 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000746755821 1134155029 /nfs/dbraw/zinc/15/50/29/1134155029.db2.gz KNOANIMEJSXNDS-CQSZACIVSA-N 1 2 342.468 3.616 20 0 EHADLO CCc1c[nH]c2nc[nH+]c(Nc3ccc(C[C@H](C)C(=O)OC)cc3)c12 ZINC001186060889 1134167156 /nfs/dbraw/zinc/16/71/56/1134167156.db2.gz BSZQSGHAZVJKAX-LBPRGKRZSA-N 1 2 338.411 3.616 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000788978929 1134206380 /nfs/dbraw/zinc/20/63/80/1134206380.db2.gz BUJXSINCHFNULR-LSDHHAIUSA-N 1 2 340.414 3.814 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000789285351 1134248982 /nfs/dbraw/zinc/24/89/82/1134248982.db2.gz PDOOJKGCJGZEFZ-OAHLLOKOSA-N 1 2 334.851 3.556 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000789285351 1134248986 /nfs/dbraw/zinc/24/89/86/1134248986.db2.gz PDOOJKGCJGZEFZ-OAHLLOKOSA-N 1 2 334.851 3.556 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000789367360 1134263318 /nfs/dbraw/zinc/26/33/18/1134263318.db2.gz XNQMFZYKHOGRPP-AWEZNQCLSA-N 1 2 343.427 3.948 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000789367360 1134263327 /nfs/dbraw/zinc/26/33/27/1134263327.db2.gz XNQMFZYKHOGRPP-AWEZNQCLSA-N 1 2 343.427 3.948 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2c([nH+]1)CCCC2 ZINC001186973406 1134279483 /nfs/dbraw/zinc/27/94/83/1134279483.db2.gz HCWIOJBLWNTZNZ-QRQLOZEOSA-N 1 2 329.488 3.574 20 0 EHADLO Cc1cccc2c1OCC[C@H]2OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000789493802 1134283470 /nfs/dbraw/zinc/28/34/70/1134283470.db2.gz DQCULTZORUHVHZ-GOSISDBHSA-N 1 2 334.375 3.861 20 0 EHADLO C/C=C(/CC)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000789638999 1134308985 /nfs/dbraw/zinc/30/89/85/1134308985.db2.gz QIHPLBDIRBTJFS-CQPUUCJISA-N 1 2 337.427 3.618 20 0 EHADLO Cc1csc(-c2cccc(C(=O)OCCCc3[nH+]ccn3C)c2)n1 ZINC000789791197 1134334822 /nfs/dbraw/zinc/33/48/22/1134334822.db2.gz FTSODBXMCDEREJ-UHFFFAOYSA-N 1 2 341.436 3.642 20 0 EHADLO Cc1cn2c(cccc2Nc2ccc(F)c(C(=O)N3CCCC3)c2)[nH+]1 ZINC001187456777 1134336616 /nfs/dbraw/zinc/33/66/16/1134336616.db2.gz GVLXROMDMHHQNJ-UHFFFAOYSA-N 1 2 338.386 3.761 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C(F)(F)F)c[nH]1 ZINC001187702557 1134370181 /nfs/dbraw/zinc/37/01/81/1134370181.db2.gz KIININCTDBWYQY-UHFFFAOYSA-N 1 2 334.301 3.531 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155755801 1134382496 /nfs/dbraw/zinc/38/24/96/1134382496.db2.gz OUYNQTAYWKNQHP-ZDUSSCGKSA-N 1 2 348.809 3.665 20 0 EHADLO CC(C)Cc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000790250128 1134385773 /nfs/dbraw/zinc/38/57/73/1134385773.db2.gz VLMXQUJTNYCVKF-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO COc1c(Cl)cc(C(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC001187903565 1134394332 /nfs/dbraw/zinc/39/43/32/1134394332.db2.gz JXFDAMYCWFLRTP-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)C[C@H](C)O1 ZINC000790505170 1134428234 /nfs/dbraw/zinc/42/82/34/1134428234.db2.gz UMYWTQWWKJJVBL-DGWIIEBVSA-N 1 2 344.499 3.916 20 0 EHADLO CC(C)(C)OC(=O)N1CC(CCSc2[nH+]cc3ccccn32)C1 ZINC001188154720 1134434771 /nfs/dbraw/zinc/43/47/71/1134434771.db2.gz NFAUAUSLXGFKHI-UHFFFAOYSA-N 1 2 333.457 3.683 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001188174298 1134437052 /nfs/dbraw/zinc/43/70/52/1134437052.db2.gz YTCIDPSKFHXABN-AWEZNQCLSA-N 1 2 327.428 3.567 20 0 EHADLO c1nn(-c2ccccc2)nc1C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000790621609 1134447128 /nfs/dbraw/zinc/44/71/28/1134447128.db2.gz AYWNUIOPEDQZOD-UHFFFAOYSA-N 1 2 348.450 3.879 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000790679764 1134450235 /nfs/dbraw/zinc/45/02/35/1134450235.db2.gz SACIJQPLEOBEJH-UHFFFAOYSA-N 1 2 336.426 3.756 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000790679764 1134450240 /nfs/dbraw/zinc/45/02/40/1134450240.db2.gz SACIJQPLEOBEJH-UHFFFAOYSA-N 1 2 336.426 3.756 20 0 EHADLO COc1ccc(OC)c(NC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001188312708 1134451116 /nfs/dbraw/zinc/45/11/16/1134451116.db2.gz HXJDUGRPVLNJNX-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001188754614 1134499143 /nfs/dbraw/zinc/49/91/43/1134499143.db2.gz GEAHFUBRESDNGD-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@H]1CCCCO1 ZINC000791381161 1134537369 /nfs/dbraw/zinc/53/73/69/1134537369.db2.gz DJJVTKIWYOSGED-GOSISDBHSA-N 1 2 328.412 3.573 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1cccc(F)c1 ZINC000791445865 1134551979 /nfs/dbraw/zinc/55/19/79/1134551979.db2.gz UEOLXPWKLXTMSN-UHFFFAOYSA-N 1 2 349.471 3.651 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1cccc(F)c1 ZINC000791445865 1134551985 /nfs/dbraw/zinc/55/19/85/1134551985.db2.gz UEOLXPWKLXTMSN-UHFFFAOYSA-N 1 2 349.471 3.651 20 0 EHADLO Cc1nc(C2CC2)oc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791447472 1134552636 /nfs/dbraw/zinc/55/26/36/1134552636.db2.gz BUMAQLZBDISIEJ-UHFFFAOYSA-N 1 2 337.379 3.712 20 0 EHADLO Cc1cccnc1/C=C/C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791448633 1134552714 /nfs/dbraw/zinc/55/27/14/1134552714.db2.gz GVCVJSMFRAJYFN-BQYQJAHWSA-N 1 2 333.391 3.641 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584115 1134571342 /nfs/dbraw/zinc/57/13/42/1134571342.db2.gz NMUPLFXNVSCWQX-CABZTGNLSA-N 1 2 329.297 3.648 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584115 1134571344 /nfs/dbraw/zinc/57/13/44/1134571344.db2.gz NMUPLFXNVSCWQX-CABZTGNLSA-N 1 2 329.297 3.648 20 0 EHADLO CCCc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)s1 ZINC001189510190 1134593822 /nfs/dbraw/zinc/59/38/22/1134593822.db2.gz OSRAXEFUNHJEPR-HNNXBMFYSA-N 1 2 342.455 3.646 20 0 EHADLO C[C@H](Oc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cn1)c1ccccc1 ZINC000791736821 1134598110 /nfs/dbraw/zinc/59/81/10/1134598110.db2.gz UCMZDDGDBRIACB-AWEZNQCLSA-N 1 2 349.390 3.556 20 0 EHADLO Nc1cc(COC(=O)CCc2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791822938 1134615829 /nfs/dbraw/zinc/61/58/29/1134615829.db2.gz AGMCVUBBVFWFNI-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO O=C(NCc1c[nH+]cn1CCF)Nc1ccccc1-c1ccccc1 ZINC001189734167 1134623128 /nfs/dbraw/zinc/62/31/28/1134623128.db2.gz CKOGQUWOXQRUKQ-UHFFFAOYSA-N 1 2 338.386 3.841 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3nc(C)oc3c2)n1 ZINC000792079739 1134646627 /nfs/dbraw/zinc/64/66/27/1134646627.db2.gz UTLAHGXKAZCGBN-UHFFFAOYSA-N 1 2 344.440 3.687 20 0 EHADLO CCN(Cc1cccc(F)c1F)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190096983 1134654847 /nfs/dbraw/zinc/65/48/47/1134654847.db2.gz JHUOJXHJAMGMIT-UHFFFAOYSA-N 1 2 341.361 3.813 20 0 EHADLO COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2-n2cc[nH+]c2)C1 ZINC001190075368 1134657987 /nfs/dbraw/zinc/65/79/87/1134657987.db2.gz QOFNKEZJQXWSAF-INIZCTEOSA-N 1 2 347.418 3.511 20 0 EHADLO CCCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)c(OCCC)c1 ZINC000792189390 1134666557 /nfs/dbraw/zinc/66/65/57/1134666557.db2.gz MGLRVDZFQLHQPN-UHFFFAOYSA-N 1 2 344.411 3.598 20 0 EHADLO CCC[C@H](C)S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001190237299 1134676842 /nfs/dbraw/zinc/67/68/42/1134676842.db2.gz FTIGIWXZVPQSDD-AWEZNQCLSA-N 1 2 348.468 3.784 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(F)cc1 ZINC000103482822 1134706516 /nfs/dbraw/zinc/70/65/16/1134706516.db2.gz ZMZQPDAVHZCHEM-UHFFFAOYSA-N 1 2 325.387 3.824 20 0 EHADLO CSCC[C@H]([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OC(C)C ZINC001170261391 1134726897 /nfs/dbraw/zinc/72/68/97/1134726897.db2.gz RIQICMXUWXCOAZ-CJNGLKHVSA-N 1 2 343.920 3.934 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001170286671 1134742379 /nfs/dbraw/zinc/74/23/79/1134742379.db2.gz DYSCZRQFAABLFO-INIZCTEOSA-N 1 2 348.918 3.996 20 0 EHADLO CC1(C)CC(Nc2cc[nH+]c(OC3CCOCC3)c2)CC(C)(C)O1 ZINC001170362780 1134756696 /nfs/dbraw/zinc/75/66/96/1134756696.db2.gz JYEUOXXMUNHQFK-UHFFFAOYSA-N 1 2 334.460 3.788 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)sn1 ZINC001190923062 1134765337 /nfs/dbraw/zinc/76/53/37/1134765337.db2.gz BDYXYQJJVDJAEU-CYBMUJFWSA-N 1 2 337.439 3.609 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001191070933 1134787926 /nfs/dbraw/zinc/78/79/26/1134787926.db2.gz QNNCFUVCEYVZPC-HNAYVOBHSA-N 1 2 345.389 3.744 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001191070933 1134787928 /nfs/dbraw/zinc/78/79/28/1134787928.db2.gz QNNCFUVCEYVZPC-HNAYVOBHSA-N 1 2 345.389 3.744 20 0 EHADLO CC(=O)N(Cc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1)C1CC1 ZINC000157933244 1134894322 /nfs/dbraw/zinc/89/43/22/1134894322.db2.gz ZOGRLXQNEVDZNV-UHFFFAOYSA-N 1 2 348.450 3.766 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2c[nH+]c3c(C)cccn23)c1 ZINC001191713021 1134903310 /nfs/dbraw/zinc/90/33/10/1134903310.db2.gz TZIJBJXTUKSPHW-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001191726621 1134906165 /nfs/dbraw/zinc/90/61/65/1134906165.db2.gz QTFJFUADAUIIMV-UHFFFAOYSA-N 1 2 332.835 3.967 20 0 EHADLO Cc1nc2ccc(C[N@H+](CCO)Cc3cccnc3Cl)cc2s1 ZINC000793367022 1134911655 /nfs/dbraw/zinc/91/16/55/1134911655.db2.gz WLFCBDJHAHKWON-UHFFFAOYSA-N 1 2 347.871 3.648 20 0 EHADLO Cc1nc2ccc(C[N@@H+](CCO)Cc3cccnc3Cl)cc2s1 ZINC000793367022 1134911659 /nfs/dbraw/zinc/91/16/59/1134911659.db2.gz WLFCBDJHAHKWON-UHFFFAOYSA-N 1 2 347.871 3.648 20 0 EHADLO OCC[N@H+](C/C=C\c1ccc(Cl)cc1)Cc1cccnc1Cl ZINC000793364350 1134912086 /nfs/dbraw/zinc/91/20/86/1134912086.db2.gz PGOIKFPMUYKHPT-IHWYPQMZSA-N 1 2 337.250 3.896 20 0 EHADLO OCC[N@@H+](C/C=C\c1ccc(Cl)cc1)Cc1cccnc1Cl ZINC000793364350 1134912095 /nfs/dbraw/zinc/91/20/95/1134912095.db2.gz PGOIKFPMUYKHPT-IHWYPQMZSA-N 1 2 337.250 3.896 20 0 EHADLO COC1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000793379361 1134915872 /nfs/dbraw/zinc/91/58/72/1134915872.db2.gz SHLSDDAWKLEKFU-UHFFFAOYSA-N 1 2 340.423 3.751 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000793486397 1134940700 /nfs/dbraw/zinc/94/07/00/1134940700.db2.gz MNWBYWWCNVXCLU-TZIWHRDSSA-N 1 2 349.478 3.657 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000793486397 1134940709 /nfs/dbraw/zinc/94/07/09/1134940709.db2.gz MNWBYWWCNVXCLU-TZIWHRDSSA-N 1 2 349.478 3.657 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001191947407 1134945120 /nfs/dbraw/zinc/94/51/20/1134945120.db2.gz KFLFQJNYSBIYDK-FMIVXFBMSA-N 1 2 329.488 3.607 20 0 EHADLO C[C@]12CC[N@H+](Cn3nc(-c4ccccc4)oc3=S)C[C@H]1C2(F)F ZINC000793523565 1134946334 /nfs/dbraw/zinc/94/63/34/1134946334.db2.gz GUAKHMHFAYXGSU-DOMZBBRYSA-N 1 2 337.395 3.807 20 0 EHADLO C[C@]12CC[N@@H+](Cn3nc(-c4ccccc4)oc3=S)C[C@H]1C2(F)F ZINC000793523565 1134946337 /nfs/dbraw/zinc/94/63/37/1134946337.db2.gz GUAKHMHFAYXGSU-DOMZBBRYSA-N 1 2 337.395 3.807 20 0 EHADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014807 1134956529 /nfs/dbraw/zinc/95/65/29/1134956529.db2.gz VUZQTYFMYRGOFX-AUUYWEPGSA-N 1 2 347.842 3.714 20 0 EHADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014807 1134956535 /nfs/dbraw/zinc/95/65/35/1134956535.db2.gz VUZQTYFMYRGOFX-AUUYWEPGSA-N 1 2 347.842 3.714 20 0 EHADLO NC(=[NH+]OCc1cc(Br)no1)c1cccc2ccccc21 ZINC000793835096 1134994072 /nfs/dbraw/zinc/99/40/72/1134994072.db2.gz LPWJEXLMABDQIU-UHFFFAOYSA-N 1 2 346.184 3.637 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000794204630 1135026365 /nfs/dbraw/zinc/02/63/65/1135026365.db2.gz CIVUGXCMXSVANP-UHFFFAOYSA-N 1 2 347.418 3.891 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)C(=O)OCc1ccccc1 ZINC001192556773 1135029838 /nfs/dbraw/zinc/02/98/38/1135029838.db2.gz GVYPZHYLWPRIST-CEXWTWQISA-N 1 2 345.483 3.692 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC000775536962 1135032830 /nfs/dbraw/zinc/03/28/30/1135032830.db2.gz SBYBRHXHCMGMAR-IBGZPJMESA-N 1 2 337.423 3.905 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC001192983867 1135080924 /nfs/dbraw/zinc/08/09/24/1135080924.db2.gz OBVFFGSZLXCQLB-HXUWFJFHSA-N 1 2 346.434 3.701 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C)c[nH+]1 ZINC000804466771 1135088495 /nfs/dbraw/zinc/08/84/95/1135088495.db2.gz LYTQKLYFXSSFCL-UHFFFAOYSA-N 1 2 330.256 3.670 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H](C)C(C)(C)C ZINC001129588347 1135116333 /nfs/dbraw/zinc/11/63/33/1135116333.db2.gz UPDBIMJZQOIDLR-CVEARBPZSA-N 1 2 327.472 3.866 20 0 EHADLO CCC[N@H+](Cc1cccc(F)c1OC(F)F)[C@H](CC)C(=O)OCC ZINC001193365127 1135130967 /nfs/dbraw/zinc/13/09/67/1135130967.db2.gz PZXCPNOQOCHAIT-CQSZACIVSA-N 1 2 347.377 3.981 20 0 EHADLO CCC[N@@H+](Cc1cccc(F)c1OC(F)F)[C@H](CC)C(=O)OCC ZINC001193365127 1135130969 /nfs/dbraw/zinc/13/09/69/1135130969.db2.gz PZXCPNOQOCHAIT-CQSZACIVSA-N 1 2 347.377 3.981 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC001193472192 1135140712 /nfs/dbraw/zinc/14/07/12/1135140712.db2.gz DMXUCUIGLOKECP-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(Oc3ccccc3)nc2)c[nH+]1 ZINC001129715018 1135143053 /nfs/dbraw/zinc/14/30/53/1135143053.db2.gz UJIFKQHCBFZUNS-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO Cc1cc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc(C)[nH+]1 ZINC001129858395 1135172927 /nfs/dbraw/zinc/17/29/27/1135172927.db2.gz LYNVOSXCNQKARO-UHFFFAOYSA-N 1 2 341.411 3.891 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Cl)c3ncccc23)cc(C)[nH+]1 ZINC001129857732 1135173227 /nfs/dbraw/zinc/17/32/27/1135173227.db2.gz CSLBUUAJGNRCKQ-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC2 ZINC001193773739 1135177988 /nfs/dbraw/zinc/17/79/88/1135177988.db2.gz UMKKDTPTDOGZCO-AUUYWEPGSA-N 1 2 332.463 3.529 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC2 ZINC001193773739 1135177992 /nfs/dbraw/zinc/17/79/92/1135177992.db2.gz UMKKDTPTDOGZCO-AUUYWEPGSA-N 1 2 332.463 3.529 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c[nH]2)cc1 ZINC001193775082 1135179125 /nfs/dbraw/zinc/17/91/25/1135179125.db2.gz PPCUUQQXISBJFT-MRXNPFEDSA-N 1 2 334.423 3.733 20 0 EHADLO CC(C)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001193862808 1135197825 /nfs/dbraw/zinc/19/78/25/1135197825.db2.gz NPWFQSJOBBUOIA-OAHLLOKOSA-N 1 2 343.858 3.867 20 0 EHADLO COC(=O)N1CCC(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000804821771 1135203599 /nfs/dbraw/zinc/20/35/99/1135203599.db2.gz FHZWOCYILVBWOY-UHFFFAOYSA-N 1 2 334.464 3.614 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001194116600 1135227926 /nfs/dbraw/zinc/22/79/26/1135227926.db2.gz TUMJBZQTWOGHOF-ZDUSSCGKSA-N 1 2 330.881 3.892 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001194116600 1135227931 /nfs/dbraw/zinc/22/79/31/1135227931.db2.gz TUMJBZQTWOGHOF-ZDUSSCGKSA-N 1 2 330.881 3.892 20 0 EHADLO C[C@]1(F)CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001194599653 1135290537 /nfs/dbraw/zinc/29/05/37/1135290537.db2.gz PGNYSEYJRKAJHT-IBGZPJMESA-N 1 2 331.410 3.824 20 0 EHADLO C[C@]1(F)CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001194599653 1135290541 /nfs/dbraw/zinc/29/05/41/1135290541.db2.gz PGNYSEYJRKAJHT-IBGZPJMESA-N 1 2 331.410 3.824 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCOC(F)(F)F)nc2c1 ZINC001194771533 1135320624 /nfs/dbraw/zinc/32/06/24/1135320624.db2.gz GOKVFLPQNHNBJF-AWEZNQCLSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCOC(F)(F)F)nc2c1 ZINC001194771533 1135320629 /nfs/dbraw/zinc/32/06/29/1135320629.db2.gz GOKVFLPQNHNBJF-AWEZNQCLSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCOC(F)(F)F)[nH]c2c1 ZINC001194771533 1135320632 /nfs/dbraw/zinc/32/06/32/1135320632.db2.gz GOKVFLPQNHNBJF-AWEZNQCLSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCOC(F)(F)F)[nH]c2c1 ZINC001194771533 1135320639 /nfs/dbraw/zinc/32/06/39/1135320639.db2.gz GOKVFLPQNHNBJF-AWEZNQCLSA-N 1 2 327.350 3.935 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC001194887432 1135342694 /nfs/dbraw/zinc/34/26/94/1135342694.db2.gz ONRPIEBVCBCDTO-UHFFFAOYSA-N 1 2 346.312 3.753 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)CCC1(F)F ZINC001194888123 1135342932 /nfs/dbraw/zinc/34/29/32/1135342932.db2.gz UZVSXGJKVYORMW-ZDUSSCGKSA-N 1 2 333.382 3.595 20 0 EHADLO Cc1c(Br)ccc2c1N(CCCn1cc[nH+]c1)CCC2 ZINC001194942594 1135344672 /nfs/dbraw/zinc/34/46/72/1135344672.db2.gz OUOHKWHWKZPING-UHFFFAOYSA-N 1 2 334.261 3.797 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc2ccccc2[nH]1 ZINC000775634995 1135365218 /nfs/dbraw/zinc/36/52/18/1135365218.db2.gz XHPXLUSXKKLHKB-LBPRGKRZSA-N 1 2 335.386 3.943 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc2ccccc2[nH]1 ZINC000775634995 1135365222 /nfs/dbraw/zinc/36/52/22/1135365222.db2.gz XHPXLUSXKKLHKB-LBPRGKRZSA-N 1 2 335.386 3.943 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1cn(-c2ccccc2)nn1 ZINC000806147492 1135401204 /nfs/dbraw/zinc/40/12/04/1135401204.db2.gz JXBCBENHLDFPRI-DOMZBBRYSA-N 1 2 339.830 3.654 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2oc3c(cccc3C)c2C)n1 ZINC001195790646 1135469633 /nfs/dbraw/zinc/46/96/33/1135469633.db2.gz UXIIEGCFXVLZKT-UHFFFAOYSA-N 1 2 325.412 3.740 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3cc(C)c(C)cc32)c1C ZINC000806642226 1135477558 /nfs/dbraw/zinc/47/75/58/1135477558.db2.gz ZQLLXWQASUGUDN-UHFFFAOYSA-N 1 2 339.439 3.596 20 0 EHADLO CCn1c(C)nn(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000102390902 1135539690 /nfs/dbraw/zinc/53/96/90/1135539690.db2.gz DZUVRRHOOMCOLH-KRWDZBQOSA-N 1 2 328.485 3.852 20 0 EHADLO CCn1c(C)nn(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000102390902 1135539693 /nfs/dbraw/zinc/53/96/93/1135539693.db2.gz DZUVRRHOOMCOLH-KRWDZBQOSA-N 1 2 328.485 3.852 20 0 EHADLO C[NH+](C)CCc1ccc(NC(=O)c2cc(Cl)c(F)cc2O)cc1 ZINC001196466455 1135564062 /nfs/dbraw/zinc/56/40/62/1135564062.db2.gz GVWXHZCPIIXCNL-UHFFFAOYSA-N 1 2 336.794 3.541 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cnccc1-c1ccccc1 ZINC001196487791 1135567721 /nfs/dbraw/zinc/56/77/21/1135567721.db2.gz WZGQFPZKMFGBRK-UHFFFAOYSA-N 1 2 332.407 3.600 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807808222 1135572159 /nfs/dbraw/zinc/57/21/59/1135572159.db2.gz OYIWKNYGHSAJOC-QZTJIDSGSA-N 1 2 349.434 3.652 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cncs1 ZINC000794427802 1135618790 /nfs/dbraw/zinc/61/87/90/1135618790.db2.gz MGYMUSVTTUVGTR-UHFFFAOYSA-N 1 2 325.393 3.562 20 0 EHADLO O=C1N(C[N@@H+]2CC[C@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000808140388 1135623396 /nfs/dbraw/zinc/62/33/96/1135623396.db2.gz HRUGKSWLLSCYFS-SFHVURJKSA-N 1 2 341.842 3.987 20 0 EHADLO O=C1N(C[N@H+]2CC[C@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000808140388 1135623400 /nfs/dbraw/zinc/62/34/00/1135623400.db2.gz HRUGKSWLLSCYFS-SFHVURJKSA-N 1 2 341.842 3.987 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC001196860101 1135624055 /nfs/dbraw/zinc/62/40/55/1135624055.db2.gz SVSDNYDOLAVFRE-UHFFFAOYSA-N 1 2 349.674 3.867 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC000808169120 1135629582 /nfs/dbraw/zinc/62/95/82/1135629582.db2.gz SVCRYXIADSPSAG-NRFANRHFSA-N 1 2 342.483 3.781 20 0 EHADLO CC(C)CC1(C)CC[NH+](Cn2nc(N(C)C)sc2=S)CC1 ZINC000808231845 1135638339 /nfs/dbraw/zinc/63/83/39/1135638339.db2.gz POSICMUGNSRXTO-UHFFFAOYSA-N 1 2 328.551 3.846 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808465665 1135681562 /nfs/dbraw/zinc/68/15/62/1135681562.db2.gz CLVQOTHGWBBWKZ-KGLIPLIRSA-N 1 2 348.796 3.774 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808465665 1135681564 /nfs/dbraw/zinc/68/15/64/1135681564.db2.gz CLVQOTHGWBBWKZ-KGLIPLIRSA-N 1 2 348.796 3.774 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccnc(Cl)c1C(F)(F)F ZINC001197781220 1135736895 /nfs/dbraw/zinc/73/68/95/1135736895.db2.gz PCHUDUBCNNDMJC-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892271 1135747047 /nfs/dbraw/zinc/74/70/47/1135747047.db2.gz UWCIVWSNVYCNCN-JQWIXIFHSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892271 1135747051 /nfs/dbraw/zinc/74/70/51/1135747051.db2.gz UWCIVWSNVYCNCN-JQWIXIFHSA-N 1 2 328.225 3.514 20 0 EHADLO CCc1nn(C)c(CC)c1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000160621368 1135790488 /nfs/dbraw/zinc/79/04/88/1135790488.db2.gz SGYKGTUYHVFVOI-UHFFFAOYSA-N 1 2 327.476 3.542 20 0 EHADLO Cc1cccc(C)c1NC(=S)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001198386009 1135807742 /nfs/dbraw/zinc/80/77/42/1135807742.db2.gz FPIWWKSGWIMKCL-MRXNPFEDSA-N 1 2 340.496 3.654 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000809352155 1135823129 /nfs/dbraw/zinc/82/31/29/1135823129.db2.gz GLAVYPKOUCRAKJ-UHFFFAOYSA-N 1 2 330.741 3.792 20 0 EHADLO CC(C)(C)c1ccc(NC(=S)NCCOc2cc[nH+]cc2)cc1 ZINC001198510290 1135829325 /nfs/dbraw/zinc/82/93/25/1135829325.db2.gz PVEWKLCBFSLZDU-UHFFFAOYSA-N 1 2 329.469 3.745 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC ZINC001170579986 1135840034 /nfs/dbraw/zinc/84/00/34/1135840034.db2.gz BRRIKHDPHJTENN-GJZGRUSLSA-N 1 2 329.481 3.598 20 0 EHADLO C[N@H+](Cc1ncc(C2OCCO2)s1)[C@H]1CCCc2ccccc21 ZINC000809540659 1135849361 /nfs/dbraw/zinc/84/93/61/1135849361.db2.gz YQOWQVACWJBMPS-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO C[N@@H+](Cc1ncc(C2OCCO2)s1)[C@H]1CCCc2ccccc21 ZINC000809540659 1135849364 /nfs/dbraw/zinc/84/93/64/1135849364.db2.gz YQOWQVACWJBMPS-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO CC1(C)C[N@H+](Cc2cnc(C3OCCO3)s2)[C@@H]1c1ccccc1 ZINC000809551890 1135855333 /nfs/dbraw/zinc/85/53/33/1135855333.db2.gz JTSWDHZWJHHVKF-OAHLLOKOSA-N 1 2 330.453 3.772 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnc(C3OCCO3)s2)[C@@H]1c1ccccc1 ZINC000809551890 1135855337 /nfs/dbraw/zinc/85/53/37/1135855337.db2.gz JTSWDHZWJHHVKF-OAHLLOKOSA-N 1 2 330.453 3.772 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@]1(O)C(F)(F)F ZINC001137957698 1135861645 /nfs/dbraw/zinc/86/16/45/1135861645.db2.gz JAESJGPHCPEUSA-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@@]1(O)C(F)(F)F ZINC001137957698 1135861647 /nfs/dbraw/zinc/86/16/47/1135861647.db2.gz JAESJGPHCPEUSA-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3ccccc3n2C(C)C)c1OC ZINC001199430881 1135903301 /nfs/dbraw/zinc/90/33/01/1135903301.db2.gz QKNBQXFQSYHMLN-UHFFFAOYSA-N 1 2 339.439 3.924 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)C(C)(C)C3CCCC3)CC2)c1 ZINC001131967031 1135906542 /nfs/dbraw/zinc/90/65/42/1135906542.db2.gz XDQZVVPJPQCGMW-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001199812057 1135931185 /nfs/dbraw/zinc/93/11/85/1135931185.db2.gz GWEYEOOUBBHWAJ-UHFFFAOYSA-N 1 2 347.340 3.903 20 0 EHADLO O=c1[nH]ccc2oc(C[NH2+]Cc3ccccc3Br)cc21 ZINC001199843996 1135931882 /nfs/dbraw/zinc/93/18/82/1135931882.db2.gz VBVYZNUUVVJZHH-UHFFFAOYSA-N 1 2 333.185 3.586 20 0 EHADLO CC(C)c1[nH+]c(CNCc2ccc(-n3ccnc3)cc2)c2ccccn21 ZINC001199895983 1135933890 /nfs/dbraw/zinc/93/38/90/1135933890.db2.gz GMMITCLVFOZKID-UHFFFAOYSA-N 1 2 345.450 3.933 20 0 EHADLO Nc1[nH+]cccc1CNC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001199891965 1135934044 /nfs/dbraw/zinc/93/40/44/1135934044.db2.gz NCCOVUAGDMNGLK-UHFFFAOYSA-N 1 2 348.406 3.565 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3snnc3C3CC3)c2)[nH+]c1C ZINC000810197431 1135937104 /nfs/dbraw/zinc/93/71/04/1135937104.db2.gz YTIIPNBONLKQRO-UHFFFAOYSA-N 1 2 339.424 3.675 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1 ZINC000810225959 1135940511 /nfs/dbraw/zinc/94/05/11/1135940511.db2.gz RHWWZIWSGXTGBU-MRXNPFEDSA-N 1 2 347.821 3.843 20 0 EHADLO S=C(NC1CCCCCC1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001199969313 1135941736 /nfs/dbraw/zinc/94/17/36/1135941736.db2.gz VAALEIVGAHDSMY-KRWDZBQOSA-N 1 2 333.501 3.522 20 0 EHADLO Fc1ccc(NC(=S)Nc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC001200930503 1135966717 /nfs/dbraw/zinc/96/67/17/1135966717.db2.gz VITYYCUSFDMCCR-UHFFFAOYSA-N 1 2 330.363 3.959 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC/C=C/c1ccccc1 ZINC000810522386 1135969176 /nfs/dbraw/zinc/96/91/76/1135969176.db2.gz WOMWDGXLCAQGMX-KPKJPENVSA-N 1 2 332.403 3.731 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1cccc(Cl)c1Cl ZINC001201017232 1135973465 /nfs/dbraw/zinc/97/34/65/1135973465.db2.gz VKGHRWZDFXEWOK-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO C[C@H]1C[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000810597007 1135975994 /nfs/dbraw/zinc/97/59/94/1135975994.db2.gz RCKQCYDZOSCDBU-MNZLEMJZSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=S)Nc3ccc(F)c(C)c3)n2c1 ZINC001201040321 1135980729 /nfs/dbraw/zinc/98/07/29/1135980729.db2.gz NJJIVLTUQZFURO-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO Nc1ccc(Nc2cc(C(F)(F)F)cnc2Br)c[nH+]1 ZINC001201279200 1136003458 /nfs/dbraw/zinc/00/34/58/1136003458.db2.gz RCCSMXTZDOCNRJ-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934303 1136073538 /nfs/dbraw/zinc/07/35/38/1136073538.db2.gz WCOOKCVOYOUXKI-RBUKOAKNSA-N 1 2 332.407 3.609 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC001202000828 1136085408 /nfs/dbraw/zinc/08/54/08/1136085408.db2.gz FYLMCAACBGQOOV-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC001202228908 1136108185 /nfs/dbraw/zinc/10/81/85/1136108185.db2.gz ICYHTBPTSYLEIM-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO Cc1cccc(C)c1NC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001202214657 1136111600 /nfs/dbraw/zinc/11/16/00/1136111600.db2.gz VRMRLQIELRCRMF-UHFFFAOYSA-N 1 2 338.455 3.737 20 0 EHADLO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cnn(C)n2)c2cccs2)cc1 ZINC000811727328 1136130866 /nfs/dbraw/zinc/13/08/66/1136130866.db2.gz XQEIDTVMEOGFPM-LJQANCHMSA-N 1 2 340.496 3.954 20 0 EHADLO CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1(CC)CC ZINC001202397857 1136142216 /nfs/dbraw/zinc/14/22/16/1136142216.db2.gz XXAKDIJXQMIYNH-JKSUJKDBSA-N 1 2 348.491 3.561 20 0 EHADLO Cn1c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc2ccccc21 ZINC001133033361 1136146670 /nfs/dbraw/zinc/14/66/70/1136146670.db2.gz WXFANNPDFMWLEE-GOSISDBHSA-N 1 2 344.418 3.546 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)[nH+]1 ZINC000811867516 1136149041 /nfs/dbraw/zinc/14/90/41/1136149041.db2.gz OWQLLTCKWSDTDG-ZDUSSCGKSA-N 1 2 349.438 3.956 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C1CCCCC1 ZINC001170654573 1136160164 /nfs/dbraw/zinc/16/01/64/1136160164.db2.gz GIVHQFQLPLUIBC-MAUKXSAKSA-N 1 2 337.410 3.534 20 0 EHADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000747781568 1136191906 /nfs/dbraw/zinc/19/19/06/1136191906.db2.gz MAWBKFJULZDAMZ-HNNXBMFYSA-N 1 2 337.423 3.805 20 0 EHADLO CC[N@H+](Cn1ccn(-c2cc(C)ccc2C)c1=S)[C@H]1CCOC1 ZINC000812297059 1136195808 /nfs/dbraw/zinc/19/58/08/1136195808.db2.gz XDJUEVSDCVNEJM-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2cc(C)ccc2C)c1=S)[C@H]1CCOC1 ZINC000812297059 1136195810 /nfs/dbraw/zinc/19/58/10/1136195810.db2.gz XDJUEVSDCVNEJM-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cn1c[nH+]cc1COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000747782690 1136195953 /nfs/dbraw/zinc/19/59/53/1136195953.db2.gz QRSYCXUALJEVTP-SXGWCWSVSA-N 1 2 342.395 3.905 20 0 EHADLO CC[N@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@H]1CCOC1 ZINC000812295620 1136196012 /nfs/dbraw/zinc/19/60/12/1136196012.db2.gz INADMTKTYBYLLX-NSHDSACASA-N 1 2 327.400 3.636 20 0 EHADLO CC[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@H]1CCOC1 ZINC000812295620 1136196013 /nfs/dbraw/zinc/19/60/13/1136196013.db2.gz INADMTKTYBYLLX-NSHDSACASA-N 1 2 327.400 3.636 20 0 EHADLO Cc1[nH+]cc(CN[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1C ZINC000850128018 1136212744 /nfs/dbraw/zinc/21/27/44/1136212744.db2.gz ULVMBRSSWQXASO-JOCHJYFZSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1nc2c(s1)CCCC2 ZINC000850143260 1136214611 /nfs/dbraw/zinc/21/46/11/1136214611.db2.gz GYKIOHXKMMBPJA-VIFPVBQESA-N 1 2 344.406 3.625 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000850356650 1136240220 /nfs/dbraw/zinc/24/02/20/1136240220.db2.gz YROXAVSIXTVMBA-UHFFFAOYSA-N 1 2 337.851 3.504 20 0 EHADLO CCOc1cc(C[NH2+][C@H](C)c2cscn2)ccc1OC(=O)CC ZINC000850359828 1136240575 /nfs/dbraw/zinc/24/05/75/1136240575.db2.gz SHAHVDUIFPALQC-GFCCVEGCSA-N 1 2 334.441 3.708 20 0 EHADLO Cc1cncc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)c1 ZINC000812840630 1136257557 /nfs/dbraw/zinc/25/75/57/1136257557.db2.gz JHWQHENEHDYNOW-UHFFFAOYSA-N 1 2 336.794 3.518 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)s1 ZINC001204048060 1136282453 /nfs/dbraw/zinc/28/24/53/1136282453.db2.gz NDCVWZJQOFEDLL-AWEZNQCLSA-N 1 2 326.412 3.542 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1nc(Br)cs1 ZINC000850542290 1136282541 /nfs/dbraw/zinc/28/25/41/1136282541.db2.gz LDOKTFSLYVWQPH-PRHODGIISA-N 1 2 339.258 3.949 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncccn1)c1cc(F)cc(Br)c1 ZINC000850552543 1136283589 /nfs/dbraw/zinc/28/35/89/1136283589.db2.gz OYEAWGHNXIPSLH-HNNXBMFYSA-N 1 2 338.224 3.865 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc2cnccc21 ZINC000851398835 1136376247 /nfs/dbraw/zinc/37/62/47/1136376247.db2.gz FXTKMYKSWMVGKO-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccoc1C1CC1 ZINC000851400960 1136376949 /nfs/dbraw/zinc/37/69/49/1136376949.db2.gz YJXIFLJJSYXZHD-UHFFFAOYSA-N 1 2 326.396 3.625 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)nc1 ZINC000851713869 1136401089 /nfs/dbraw/zinc/40/10/89/1136401089.db2.gz CCPOWMXRPMFHQX-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)nc1 ZINC000851713869 1136401091 /nfs/dbraw/zinc/40/10/91/1136401091.db2.gz CCPOWMXRPMFHQX-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000851765336 1136406093 /nfs/dbraw/zinc/40/60/93/1136406093.db2.gz SHTLNSYTMLEKMQ-SJCJKPOMSA-N 1 2 348.878 3.527 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000851806275 1136409322 /nfs/dbraw/zinc/40/93/22/1136409322.db2.gz MDHCLGULCAQNPY-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000851806275 1136409324 /nfs/dbraw/zinc/40/93/24/1136409324.db2.gz MDHCLGULCAQNPY-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814179325 1136412198 /nfs/dbraw/zinc/41/21/98/1136412198.db2.gz BZEGRAZVORPUMM-IBGZPJMESA-N 1 2 349.434 3.551 20 0 EHADLO C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814179325 1136412201 /nfs/dbraw/zinc/41/22/01/1136412201.db2.gz BZEGRAZVORPUMM-IBGZPJMESA-N 1 2 349.434 3.551 20 0 EHADLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748968 1136459211 /nfs/dbraw/zinc/45/92/11/1136459211.db2.gz BMYFAIJFQSWVTB-UWIFEVILSA-N 1 2 329.488 3.621 20 0 EHADLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748968 1136459214 /nfs/dbraw/zinc/45/92/14/1136459214.db2.gz BMYFAIJFQSWVTB-UWIFEVILSA-N 1 2 329.488 3.621 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCOC2=O)cc1 ZINC000814659789 1136486960 /nfs/dbraw/zinc/48/69/60/1136486960.db2.gz APNVZMZWJMKBHA-CYBMUJFWSA-N 1 2 341.411 3.750 20 0 EHADLO O[C@H](C[N@@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067155 1136505400 /nfs/dbraw/zinc/50/54/00/1136505400.db2.gz PUXMXYOKSOENPB-AEFFLSMTSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@H](C[N@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067155 1136505401 /nfs/dbraw/zinc/50/54/01/1136505401.db2.gz PUXMXYOKSOENPB-AEFFLSMTSA-N 1 2 330.378 3.620 20 0 EHADLO CCOC(=O)c1coc(C[NH2+]Cc2ccsc2Br)c1 ZINC000338956088 1136531608 /nfs/dbraw/zinc/53/16/08/1136531608.db2.gz IKGYIXCYMSWLBY-UHFFFAOYSA-N 1 2 344.230 3.570 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c(=O)c1 ZINC000853490266 1136537012 /nfs/dbraw/zinc/53/70/12/1136537012.db2.gz RUZNVFMCWQOEOJ-UHFFFAOYSA-N 1 2 332.831 3.556 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c(=O)c1 ZINC000853490266 1136537015 /nfs/dbraw/zinc/53/70/15/1136537015.db2.gz RUZNVFMCWQOEOJ-UHFFFAOYSA-N 1 2 332.831 3.556 20 0 EHADLO COc1ccc(C2CC[NH+](Cn3ncc(Cl)c3C3CC3)CC2)nc1 ZINC000853518229 1136539556 /nfs/dbraw/zinc/53/95/56/1136539556.db2.gz FKRUVCSLVNUTAH-UHFFFAOYSA-N 1 2 346.862 3.655 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853562876 1136544975 /nfs/dbraw/zinc/54/49/75/1136544975.db2.gz GPDQHCPPBJQODX-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853562876 1136544979 /nfs/dbraw/zinc/54/49/79/1136544979.db2.gz GPDQHCPPBJQODX-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CC[C@@H](C)N(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000853790694 1136564287 /nfs/dbraw/zinc/56/42/87/1136564287.db2.gz IVFKBDAIHMDEBT-MRXNPFEDSA-N 1 2 346.519 3.551 20 0 EHADLO O=C(/C=C\C1CCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412686 1136614347 /nfs/dbraw/zinc/61/43/47/1136614347.db2.gz SNXMTIDZQZHXGR-SREVYHEPSA-N 1 2 347.528 3.744 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1SC(C)(C)C ZINC000815595215 1136616449 /nfs/dbraw/zinc/61/64/49/1136616449.db2.gz KWAKRIIFWUVIIL-GFCCVEGCSA-N 1 2 331.489 3.749 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCSc2ccc(Cl)cc21 ZINC000776808145 1136687416 /nfs/dbraw/zinc/68/74/16/1136687416.db2.gz ZZLLPGXWPJXDTH-UHFFFAOYSA-N 1 2 329.812 3.740 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc(C2CC2)cc1Cl)[C@@H]1CCSC1 ZINC000816216801 1136687713 /nfs/dbraw/zinc/68/77/13/1136687713.db2.gz ZJMUGOAQXXXJNQ-CYBMUJFWSA-N 1 2 325.861 3.560 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc(C2CC2)cc1Cl)[C@@H]1CCSC1 ZINC000816216801 1136687718 /nfs/dbraw/zinc/68/77/18/1136687718.db2.gz ZJMUGOAQXXXJNQ-CYBMUJFWSA-N 1 2 325.861 3.560 20 0 EHADLO CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cccc3[nH+]ccn32)CO1 ZINC000855333727 1136687900 /nfs/dbraw/zinc/68/79/00/1136687900.db2.gz AGJUCYSQNWYCPN-KRWDZBQOSA-N 1 2 349.434 3.544 20 0 EHADLO Cc1nsc(C)c1COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000816343539 1136702157 /nfs/dbraw/zinc/70/21/57/1136702157.db2.gz JNQDHBLKDVKPAK-SFHVURJKSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nsc(C)c1COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000816343539 1136702159 /nfs/dbraw/zinc/70/21/59/1136702159.db2.gz JNQDHBLKDVKPAK-SFHVURJKSA-N 1 2 344.480 3.858 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCc2c[nH+]cn2C1 ZINC000816869807 1136759976 /nfs/dbraw/zinc/75/99/76/1136759976.db2.gz CIBDAKRVRYTTNK-ZDUSSCGKSA-N 1 2 331.375 3.984 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@H]3CCc4cccnc4CC3)cc2)CCO1 ZINC000817584712 1136825346 /nfs/dbraw/zinc/82/53/46/1136825346.db2.gz DIXQUHIYZNOTDE-WMZOPIPTSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cc(C)[nH+]1 ZINC000817620326 1136829969 /nfs/dbraw/zinc/82/99/69/1136829969.db2.gz IBVLTIGTDSULMY-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(N)cc2C(F)(F)F)cc(C)[nH+]1 ZINC000817868013 1136842517 /nfs/dbraw/zinc/84/25/17/1136842517.db2.gz DPUIOKFMFGJFLS-UHFFFAOYSA-N 1 2 338.333 3.621 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000857192639 1136852024 /nfs/dbraw/zinc/85/20/24/1136852024.db2.gz FIKYRJWYHADZJT-JTQLQIEISA-N 1 2 343.374 3.520 20 0 EHADLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1Cl ZINC000429542807 1136861379 /nfs/dbraw/zinc/86/13/79/1136861379.db2.gz STFWZMFDXINWHR-UHFFFAOYSA-N 1 2 329.831 3.553 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)[C@H]2CCCc3ccccc32)nc1C1CC1 ZINC000818260161 1136868540 /nfs/dbraw/zinc/86/85/40/1136868540.db2.gz VWUXXEPJFWBGOY-INIZCTEOSA-N 1 2 328.485 3.795 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)[C@H]2CCCc3ccccc32)nc1C1CC1 ZINC000818260161 1136868543 /nfs/dbraw/zinc/86/85/43/1136868543.db2.gz VWUXXEPJFWBGOY-INIZCTEOSA-N 1 2 328.485 3.795 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)n1 ZINC000818346943 1136870059 /nfs/dbraw/zinc/87/00/59/1136870059.db2.gz WJKOWESFOGQENC-LBPRGKRZSA-N 1 2 336.867 3.898 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000818337651 1136872090 /nfs/dbraw/zinc/87/20/90/1136872090.db2.gz NFWDJHJIWXKFGH-TVXDQFRWSA-N 1 2 344.499 3.916 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@]1(O)C(F)(F)F ZINC001137656514 1136881033 /nfs/dbraw/zinc/88/10/33/1136881033.db2.gz IJPVPEAFVJOHCX-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@]1(O)C(F)(F)F ZINC001137656514 1136881037 /nfs/dbraw/zinc/88/10/37/1136881037.db2.gz IJPVPEAFVJOHCX-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1F ZINC001137656555 1136885387 /nfs/dbraw/zinc/88/53/87/1136885387.db2.gz LDXMGLPTXDCCDE-QWHCGFSZSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1F ZINC001137656555 1136885391 /nfs/dbraw/zinc/88/53/91/1136885391.db2.gz LDXMGLPTXDCCDE-QWHCGFSZSA-N 1 2 343.723 3.706 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1C ZINC000818614122 1136886126 /nfs/dbraw/zinc/88/61/26/1136886126.db2.gz RPDDMXUOIWTAMA-CYBMUJFWSA-N 1 2 343.452 3.591 20 0 EHADLO CC[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1c1ccccc1 ZINC000776976287 1136908061 /nfs/dbraw/zinc/90/80/61/1136908061.db2.gz ZVVHRMICIOHERM-FUHWJXTLSA-N 1 2 333.435 3.990 20 0 EHADLO CCNc1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC001136185991 1136911398 /nfs/dbraw/zinc/91/13/98/1136911398.db2.gz YAMYYABGQOSTSQ-UHFFFAOYSA-N 1 2 341.802 3.605 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000857847463 1136911804 /nfs/dbraw/zinc/91/18/04/1136911804.db2.gz OLEVJHRGYCCDDH-KRWDZBQOSA-N 1 2 338.386 3.903 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857847463 1136911806 /nfs/dbraw/zinc/91/18/06/1136911806.db2.gz OLEVJHRGYCCDDH-KRWDZBQOSA-N 1 2 338.386 3.903 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(Cl)c1 ZINC000857878239 1136917244 /nfs/dbraw/zinc/91/72/44/1136917244.db2.gz VOHJTQVLRKSXHC-KZULUSFZSA-N 1 2 344.842 3.713 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857976390 1136927030 /nfs/dbraw/zinc/92/70/30/1136927030.db2.gz CTWBNVFFXGHVNP-NSHDSACASA-N 1 2 346.164 3.543 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984407 1136927232 /nfs/dbraw/zinc/92/72/32/1136927232.db2.gz ZTCKDHJENZMNQH-SMJHDNPOSA-N 1 2 335.329 3.566 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000857984810 1136927312 /nfs/dbraw/zinc/92/73/12/1136927312.db2.gz DXHSECYAWCCFKR-MGPQQGTHSA-N 1 2 336.222 3.555 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857990010 1136927891 /nfs/dbraw/zinc/92/78/91/1136927891.db2.gz LMFKYCFNACOUPF-AWEZNQCLSA-N 1 2 335.860 3.670 20 0 EHADLO Clc1ncc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858050893 1136935618 /nfs/dbraw/zinc/93/56/18/1136935618.db2.gz SQACFHSJICTEQL-CYBMUJFWSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ncc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858050893 1136935621 /nfs/dbraw/zinc/93/56/21/1136935621.db2.gz SQACFHSJICTEQL-CYBMUJFWSA-N 1 2 335.860 3.722 20 0 EHADLO Cc1cc(NC[C@H](O)COc2ccccc2Cl)ccc1[NH+](C)C ZINC000819408006 1136936698 /nfs/dbraw/zinc/93/66/98/1136936698.db2.gz HKGCEOALHKOXBX-HNNXBMFYSA-N 1 2 334.847 3.566 20 0 EHADLO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc2[nH+]ccn21 ZINC000777013944 1136955216 /nfs/dbraw/zinc/95/52/16/1136955216.db2.gz YBKCKGKHRYARCB-UHFFFAOYSA-N 1 2 345.362 3.514 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H](C)c2ccccc2C)c1C ZINC000116008887 1136956880 /nfs/dbraw/zinc/95/68/80/1136956880.db2.gz JHPFOXPKMPMZHV-CQSZACIVSA-N 1 2 326.440 3.825 20 0 EHADLO CCCOc1cccc2c(NCc3nn(CC)nc3C)cc[nH+]c12 ZINC000819935245 1136968304 /nfs/dbraw/zinc/96/83/04/1136968304.db2.gz JIBGGCNQXDUMID-UHFFFAOYSA-N 1 2 325.416 3.556 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1[nH+]ccc2ccccc21 ZINC000858454830 1136969558 /nfs/dbraw/zinc/96/95/58/1136969558.db2.gz FYWFOHXXTPLRHK-LSDHHAIUSA-N 1 2 341.455 3.974 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(C2CCC2)C2CCC2)C1 ZINC000858672157 1136985858 /nfs/dbraw/zinc/98/58/58/1136985858.db2.gz ZYFBGHPAODBWQW-QGZVFWFLSA-N 1 2 344.503 3.526 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858727849 1136989146 /nfs/dbraw/zinc/98/91/46/1136989146.db2.gz QTCNIGVHXBAYBB-KURKYZTESA-N 1 2 343.446 3.747 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000820504432 1136996636 /nfs/dbraw/zinc/99/66/36/1136996636.db2.gz WMZYUQKIIRJAMC-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)OCCF ZINC000858963859 1136998743 /nfs/dbraw/zinc/99/87/43/1136998743.db2.gz DAMAFORCYLYOOL-UHFFFAOYSA-N 1 2 349.233 3.654 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccnc(F)c3)CC2)c(C)c1 ZINC000859061320 1137001586 /nfs/dbraw/zinc/00/15/86/1137001586.db2.gz GKXHFUDCSZQUHR-UHFFFAOYSA-N 1 2 326.415 3.932 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820808034 1137005016 /nfs/dbraw/zinc/00/50/16/1137005016.db2.gz WBQHIRWNNOQZIZ-INIZCTEOSA-N 1 2 330.819 3.618 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820862765 1137006838 /nfs/dbraw/zinc/00/68/38/1137006838.db2.gz WPWXTWGWOZGAFD-GXFFZTMASA-N 1 2 341.333 3.527 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCc2c1cccc2Cl)n1cc[nH+]c1 ZINC001136387114 1137007008 /nfs/dbraw/zinc/00/70/08/1137007008.db2.gz XLRZXAUBWXROTR-IRXDYDNUSA-N 1 2 331.847 3.927 20 0 EHADLO C[C@H](c1ccc2ccccc2c1)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001136428216 1137021234 /nfs/dbraw/zinc/02/12/34/1137021234.db2.gz PQXWZNDMGNHZLF-OAHLLOKOSA-N 1 2 333.435 3.868 20 0 EHADLO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC001136484113 1137035525 /nfs/dbraw/zinc/03/55/25/1137035525.db2.gz NWPBQOQLVNNSQE-UHFFFAOYSA-N 1 2 339.443 3.819 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000860042444 1137041549 /nfs/dbraw/zinc/04/15/49/1137041549.db2.gz GNBFJCSSQBPHDH-AUUYWEPGSA-N 1 2 336.439 3.650 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccns1 ZINC000860052581 1137041999 /nfs/dbraw/zinc/04/19/99/1137041999.db2.gz CVGGFJDVAOJCFR-RHSMWYFYSA-N 1 2 329.469 3.548 20 0 EHADLO O[C@@H](C[N@@H+]1CCOc2cc(F)ccc2C1)c1ccc(Cl)c(F)c1 ZINC000860172650 1137047827 /nfs/dbraw/zinc/04/78/27/1137047827.db2.gz IHJWQQZXAADFDM-INIZCTEOSA-N 1 2 339.769 3.546 20 0 EHADLO O[C@@H](C[N@H+]1CCOc2cc(F)ccc2C1)c1ccc(Cl)c(F)c1 ZINC000860172650 1137047829 /nfs/dbraw/zinc/04/78/29/1137047829.db2.gz IHJWQQZXAADFDM-INIZCTEOSA-N 1 2 339.769 3.546 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000860217964 1137050033 /nfs/dbraw/zinc/05/00/33/1137050033.db2.gz NQDVNPBNKCSPEG-ONEGZZNKSA-N 1 2 343.374 3.525 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000822476597 1137061400 /nfs/dbraw/zinc/06/14/00/1137061400.db2.gz QMTLYKUEPPPBJJ-LJQANCHMSA-N 1 2 341.455 3.562 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860616560 1137069215 /nfs/dbraw/zinc/06/92/15/1137069215.db2.gz ULTQWYQXTQVLOG-BPQIPLTHSA-N 1 2 338.794 3.617 20 0 EHADLO CSCc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822756013 1137073405 /nfs/dbraw/zinc/07/34/05/1137073405.db2.gz QJPQSKMBICLBHZ-QGZVFWFLSA-N 1 2 337.448 3.835 20 0 EHADLO CCCOc1cccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)c1 ZINC000822766376 1137074663 /nfs/dbraw/zinc/07/46/63/1137074663.db2.gz QLHKUNHELBEKAH-GOSISDBHSA-N 1 2 335.407 3.912 20 0 EHADLO c1ccc(NCCCNc2ncnc3sc4c(c32)CCCC4)[nH+]c1 ZINC000339021041 1137077831 /nfs/dbraw/zinc/07/78/31/1137077831.db2.gz HTRSWUVEOCRMPL-UHFFFAOYSA-N 1 2 339.468 3.879 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(-n2cccc2)ccc1Cl ZINC001136652017 1137081393 /nfs/dbraw/zinc/08/13/93/1137081393.db2.gz DWFNSHRKDQYJNA-UHFFFAOYSA-N 1 2 342.830 3.537 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000822985712 1137082244 /nfs/dbraw/zinc/08/22/44/1137082244.db2.gz PKRAXVXRQLPEBC-AMKSKSKJSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000822985712 1137082246 /nfs/dbraw/zinc/08/22/46/1137082246.db2.gz PKRAXVXRQLPEBC-AMKSKSKJSA-N 1 2 330.255 3.526 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccsc1 ZINC000860878460 1137082790 /nfs/dbraw/zinc/08/27/90/1137082790.db2.gz JIZKCGZBOKYGJG-DLBZAZTESA-N 1 2 342.464 3.706 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)F)o1 ZINC000860880512 1137083021 /nfs/dbraw/zinc/08/30/21/1137083021.db2.gz VJLCBKFYKZHUOK-UHFFFAOYSA-N 1 2 336.338 3.686 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1csc(C2CCCCC2)c1 ZINC000823634567 1137106155 /nfs/dbraw/zinc/10/61/55/1137106155.db2.gz KNXHOLTWDFWFSP-OAHLLOKOSA-N 1 2 329.469 3.737 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nn(CC)nc2C)cc1OC ZINC000823666481 1137108758 /nfs/dbraw/zinc/10/87/58/1137108758.db2.gz LXZPELRFXINBJG-CQSZACIVSA-N 1 2 346.475 3.645 20 0 EHADLO CCS(=O)(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000118400252 1137113809 /nfs/dbraw/zinc/11/38/09/1137113809.db2.gz WHOQUQPSVORFMW-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO CCS(=O)(=O)CC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000118400252 1137113811 /nfs/dbraw/zinc/11/38/11/1137113811.db2.gz WHOQUQPSVORFMW-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(SC(F)(F)F)nc2)cc(C)[nH+]1 ZINC000862013861 1137126869 /nfs/dbraw/zinc/12/68/69/1137126869.db2.gz QAIAOOBCPQILQJ-UHFFFAOYSA-N 1 2 341.358 3.635 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)cccc3C)CC2)s1 ZINC001136855137 1137132219 /nfs/dbraw/zinc/13/22/19/1137132219.db2.gz VPVOTGIHNMIXQN-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000862312663 1137138025 /nfs/dbraw/zinc/13/80/25/1137138025.db2.gz RCXKLYISLNTSLY-HNNXBMFYSA-N 1 2 349.475 3.773 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000862312663 1137138027 /nfs/dbraw/zinc/13/80/27/1137138027.db2.gz RCXKLYISLNTSLY-HNNXBMFYSA-N 1 2 349.475 3.773 20 0 EHADLO Cc1ncc(C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC000862330002 1137138488 /nfs/dbraw/zinc/13/84/88/1137138488.db2.gz PIRGXYJCARTSCP-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO Cc1ncc(C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC000862330002 1137138489 /nfs/dbraw/zinc/13/84/89/1137138489.db2.gz PIRGXYJCARTSCP-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136870955 1137138657 /nfs/dbraw/zinc/13/86/57/1137138657.db2.gz RKAXLMOOQSRMCX-MRXNPFEDSA-N 1 2 349.862 3.826 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824521811 1137141023 /nfs/dbraw/zinc/14/10/23/1137141023.db2.gz OSRDAMVKNDBTFD-QGZVFWFLSA-N 1 2 341.846 3.574 20 0 EHADLO Cc1ccn2c(C[N@@H+]3CCc4ncc(C(F)(F)F)cc4C3)cnc2c1 ZINC001136890045 1137141062 /nfs/dbraw/zinc/14/10/62/1137141062.db2.gz NXWISLOOAFNRDI-UHFFFAOYSA-N 1 2 346.356 3.615 20 0 EHADLO Cc1ccn2c(C[N@H+]3CCc4ncc(C(F)(F)F)cc4C3)cnc2c1 ZINC001136890045 1137141064 /nfs/dbraw/zinc/14/10/64/1137141064.db2.gz NXWISLOOAFNRDI-UHFFFAOYSA-N 1 2 346.356 3.615 20 0 EHADLO COCc1csc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC000824548830 1137142692 /nfs/dbraw/zinc/14/26/92/1137142692.db2.gz RUGGUOILGYNUJM-GOSISDBHSA-N 1 2 345.464 3.602 20 0 EHADLO COCc1csc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC000824548830 1137142694 /nfs/dbraw/zinc/14/26/94/1137142694.db2.gz RUGGUOILGYNUJM-GOSISDBHSA-N 1 2 345.464 3.602 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ncc(C(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC000862540583 1137149445 /nfs/dbraw/zinc/14/94/45/1137149445.db2.gz GRJHMSFJDZHQAY-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ncc(C(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC000862540583 1137149446 /nfs/dbraw/zinc/14/94/46/1137149446.db2.gz GRJHMSFJDZHQAY-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO Cc1ccc([C@]2(C)C[N@H+](Cc3cnc4c(C)cccn34)CCO2)cc1 ZINC001136965082 1137158207 /nfs/dbraw/zinc/15/82/07/1137158207.db2.gz BULBTRNXFCBMQF-NRFANRHFSA-N 1 2 335.451 3.699 20 0 EHADLO Cc1ccc([C@]2(C)C[N@@H+](Cc3cnc4c(C)cccn34)CCO2)cc1 ZINC001136965082 1137158208 /nfs/dbraw/zinc/15/82/08/1137158208.db2.gz BULBTRNXFCBMQF-NRFANRHFSA-N 1 2 335.451 3.699 20 0 EHADLO CCc1nc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)co1 ZINC000825062144 1137164142 /nfs/dbraw/zinc/16/41/42/1137164142.db2.gz QJBVOUUDXCJZFL-CYBMUJFWSA-N 1 2 339.208 3.916 20 0 EHADLO C[N@H+](CCc1ccc(F)cc1Cl)Cc1csc(C(C)(C)O)n1 ZINC000825152672 1137165575 /nfs/dbraw/zinc/16/55/75/1137165575.db2.gz BGEDXRSLWOUWPE-UHFFFAOYSA-N 1 2 342.867 3.838 20 0 EHADLO C[N@@H+](CCc1ccc(F)cc1Cl)Cc1csc(C(C)(C)O)n1 ZINC000825152672 1137165576 /nfs/dbraw/zinc/16/55/76/1137165576.db2.gz BGEDXRSLWOUWPE-UHFFFAOYSA-N 1 2 342.867 3.838 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)[nH]1 ZINC001171077297 1137169671 /nfs/dbraw/zinc/16/96/71/1137169671.db2.gz CETNLKGRUGIHKC-UHFFFAOYSA-N 1 2 334.414 3.661 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863254579 1137177761 /nfs/dbraw/zinc/17/77/61/1137177761.db2.gz JLYQHKMHDAMLGG-HOCLYGCPSA-N 1 2 325.456 3.840 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863254579 1137177762 /nfs/dbraw/zinc/17/77/62/1137177762.db2.gz JLYQHKMHDAMLGG-HOCLYGCPSA-N 1 2 325.456 3.840 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863255605 1137178082 /nfs/dbraw/zinc/17/80/82/1137178082.db2.gz FGZCKLHISIYBDN-MRXNPFEDSA-N 1 2 325.456 3.604 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000863255331 1137178189 /nfs/dbraw/zinc/17/81/89/1137178189.db2.gz CPIXOOOEBPCDOV-DLBZAZTESA-N 1 2 337.467 3.697 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000863269869 1137178715 /nfs/dbraw/zinc/17/87/15/1137178715.db2.gz SBLQWTAUTAOAIY-UHFFFAOYSA-N 1 2 333.432 3.561 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2c(F)ccc(OC)c2Cl)CC1 ZINC001143371141 1137183578 /nfs/dbraw/zinc/18/35/78/1137183578.db2.gz HCLMUJHBOBLSDW-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143623356 1137183688 /nfs/dbraw/zinc/18/36/88/1137183688.db2.gz PGJNCINWTSSDLI-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143623356 1137183690 /nfs/dbraw/zinc/18/36/90/1137183690.db2.gz PGJNCINWTSSDLI-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000863375143 1137183828 /nfs/dbraw/zinc/18/38/28/1137183828.db2.gz ZPQKWYSFXAXQEJ-BHYGNILZSA-N 1 2 345.817 3.594 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)ccn1 ZINC001143684316 1137187754 /nfs/dbraw/zinc/18/77/54/1137187754.db2.gz OJBUYKOIYJLZGZ-DYVFJYSZSA-N 1 2 341.402 3.701 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)ccn1 ZINC001143684316 1137187755 /nfs/dbraw/zinc/18/77/55/1137187755.db2.gz OJBUYKOIYJLZGZ-DYVFJYSZSA-N 1 2 341.402 3.701 20 0 EHADLO CCc1ccc(C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000863490487 1137188908 /nfs/dbraw/zinc/18/89/08/1137188908.db2.gz IYESXESUSDIKMB-UHFFFAOYSA-N 1 2 333.435 3.917 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C3(c4ccccc4)CCC3)no2)c1 ZINC000863665146 1137197802 /nfs/dbraw/zinc/19/78/02/1137197802.db2.gz FZOAFFWRNVAJQX-KRWDZBQOSA-N 1 2 335.407 3.596 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001171107852 1137200306 /nfs/dbraw/zinc/20/03/06/1137200306.db2.gz SXCDTXHHCUZWME-AWEZNQCLSA-N 1 2 325.412 3.642 20 0 EHADLO O=C(Nc1cccc2cc[nH]c21)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001671072523 1137200559 /nfs/dbraw/zinc/20/05/59/1137200559.db2.gz XQENNMAYGMZQLX-SFHVURJKSA-N 1 2 345.406 3.927 20 0 EHADLO Clc1nc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc2ccccc21 ZINC000794555080 1137201882 /nfs/dbraw/zinc/20/18/82/1137201882.db2.gz UUALZKSZOSWBGA-INIZCTEOSA-N 1 2 332.831 3.616 20 0 EHADLO Clc1nc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc2ccccc21 ZINC000794555080 1137201883 /nfs/dbraw/zinc/20/18/83/1137201883.db2.gz UUALZKSZOSWBGA-INIZCTEOSA-N 1 2 332.831 3.616 20 0 EHADLO Cc1nnsc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000844236787 1137206135 /nfs/dbraw/zinc/20/61/35/1137206135.db2.gz MNQCYUUAUBQGGZ-UHFFFAOYSA-N 1 2 326.425 3.625 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2c(F)ccc(Cl)c2Cl)CC12CC2 ZINC001143868151 1137206816 /nfs/dbraw/zinc/20/68/16/1137206816.db2.gz PUHXAOHUDZUBGC-JTQLQIEISA-N 1 2 332.202 3.518 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)CC12CC2 ZINC001143868151 1137206818 /nfs/dbraw/zinc/20/68/18/1137206818.db2.gz PUHXAOHUDZUBGC-JTQLQIEISA-N 1 2 332.202 3.518 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1n[nH]c2ccc(F)cc21 ZINC001143904838 1137211874 /nfs/dbraw/zinc/21/18/74/1137211874.db2.gz LPXHAZHHGDKGSJ-AWEZNQCLSA-N 1 2 349.369 3.586 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)n1cc[nH+]c1 ZINC000844347698 1137213920 /nfs/dbraw/zinc/21/39/20/1137213920.db2.gz VJBYPNRAMKXNPL-HNNXBMFYSA-N 1 2 349.438 3.673 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001143947136 1137217582 /nfs/dbraw/zinc/21/75/82/1137217582.db2.gz JALNFZUZTLEDEL-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001143947136 1137217584 /nfs/dbraw/zinc/21/75/84/1137217584.db2.gz JALNFZUZTLEDEL-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001143982851 1137220565 /nfs/dbraw/zinc/22/05/65/1137220565.db2.gz BTRYPOSHGLVKQS-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001143982851 1137220567 /nfs/dbraw/zinc/22/05/67/1137220567.db2.gz BTRYPOSHGLVKQS-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844441205 1137223360 /nfs/dbraw/zinc/22/33/60/1137223360.db2.gz YZNGKBBYBCEOQJ-BLLLJJGKSA-N 1 2 326.362 3.582 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844441205 1137223362 /nfs/dbraw/zinc/22/33/62/1137223362.db2.gz YZNGKBBYBCEOQJ-BLLLJJGKSA-N 1 2 326.362 3.582 20 0 EHADLO C[C@H](CC(=O)O[C@H]1CCc2c1cccc2OCC1CC1)n1cc[nH+]c1 ZINC000844443179 1137224018 /nfs/dbraw/zinc/22/40/18/1137224018.db2.gz JBKOMNLZOKQSTN-KUHUBIRLSA-N 1 2 340.423 3.854 20 0 EHADLO O=C(C[N@@H+]1CCC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1F ZINC000844440800 1137224071 /nfs/dbraw/zinc/22/40/71/1137224071.db2.gz UGOZSJKZVDNYLD-AWEZNQCLSA-N 1 2 332.753 3.539 20 0 EHADLO O=C(C[N@H+]1CCC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1F ZINC000844440800 1137224072 /nfs/dbraw/zinc/22/40/72/1137224072.db2.gz UGOZSJKZVDNYLD-AWEZNQCLSA-N 1 2 332.753 3.539 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 ZINC000794659552 1137224645 /nfs/dbraw/zinc/22/46/45/1137224645.db2.gz UAXSQJYVLDOTKO-YSGRDPCXSA-N 1 2 349.434 3.616 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001144004802 1137225022 /nfs/dbraw/zinc/22/50/22/1137225022.db2.gz IVIGUYLQJRHROL-AWEZNQCLSA-N 1 2 331.334 3.537 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC[C@H]1C(C)=O ZINC001144004802 1137225024 /nfs/dbraw/zinc/22/50/24/1137225024.db2.gz IVIGUYLQJRHROL-AWEZNQCLSA-N 1 2 331.334 3.537 20 0 EHADLO C[N@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@H]1CCC(C)(C)C1 ZINC000794683893 1137226119 /nfs/dbraw/zinc/22/61/19/1137226119.db2.gz GKJFQEXVLLLVSD-INIZCTEOSA-N 1 2 345.516 3.520 20 0 EHADLO C[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@H]1CCC(C)(C)C1 ZINC000794683893 1137226121 /nfs/dbraw/zinc/22/61/21/1137226121.db2.gz GKJFQEXVLLLVSD-INIZCTEOSA-N 1 2 345.516 3.520 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000844470335 1137226911 /nfs/dbraw/zinc/22/69/11/1137226911.db2.gz BWYVWTSVOLWYBW-HUUCEWRRSA-N 1 2 333.428 3.518 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000844470335 1137226913 /nfs/dbraw/zinc/22/69/13/1137226913.db2.gz BWYVWTSVOLWYBW-HUUCEWRRSA-N 1 2 333.428 3.518 20 0 EHADLO C[C@H](CC(=O)Oc1ccc(OCC2CC2)c(Cl)c1)n1cc[nH+]c1 ZINC000844546025 1137233551 /nfs/dbraw/zinc/23/35/51/1137233551.db2.gz FFYFHXIRDKDREV-GFCCVEGCSA-N 1 2 334.803 3.882 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844554636 1137234504 /nfs/dbraw/zinc/23/45/04/1137234504.db2.gz QUAUPTWNUQESRA-ABAIWWIYSA-N 1 2 342.317 3.690 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1ccccn1 ZINC000794706270 1137237866 /nfs/dbraw/zinc/23/78/66/1137237866.db2.gz NXGUTJUVDXLUES-CQSZACIVSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1ccccn1 ZINC000794706270 1137237867 /nfs/dbraw/zinc/23/78/67/1137237867.db2.gz NXGUTJUVDXLUES-CQSZACIVSA-N 1 2 345.516 3.729 20 0 EHADLO Cc1c(O)cccc1CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001144108222 1137239235 /nfs/dbraw/zinc/23/92/35/1137239235.db2.gz UKZYZXUKHDBYKM-OAHLLOKOSA-N 1 2 328.431 3.546 20 0 EHADLO Cc1c(O)cccc1CN1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001144108222 1137239237 /nfs/dbraw/zinc/23/92/37/1137239237.db2.gz UKZYZXUKHDBYKM-OAHLLOKOSA-N 1 2 328.431 3.546 20 0 EHADLO Brc1ccc2c(c1)C[N@@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144179810 1137248160 /nfs/dbraw/zinc/24/81/60/1137248160.db2.gz UQDIDSFTDWNWNJ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)C[N@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144179810 1137248162 /nfs/dbraw/zinc/24/81/62/1137248162.db2.gz UQDIDSFTDWNWNJ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Cc1nn(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(=S)n1C1CC1 ZINC000844759383 1137250280 /nfs/dbraw/zinc/25/02/80/1137250280.db2.gz LTMIDZCCVBRVAR-GFCCVEGCSA-N 1 2 346.475 3.816 20 0 EHADLO Cc1nn(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(=S)n1C1CC1 ZINC000844759383 1137250281 /nfs/dbraw/zinc/25/02/81/1137250281.db2.gz LTMIDZCCVBRVAR-GFCCVEGCSA-N 1 2 346.475 3.816 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000844738624 1137251232 /nfs/dbraw/zinc/25/12/32/1137251232.db2.gz ADRGLDVFEAMYOE-UHFFFAOYSA-N 1 2 347.422 3.793 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000844738624 1137251233 /nfs/dbraw/zinc/25/12/33/1137251233.db2.gz ADRGLDVFEAMYOE-UHFFFAOYSA-N 1 2 347.422 3.793 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794801458 1137252193 /nfs/dbraw/zinc/25/21/93/1137252193.db2.gz GHEUJHCVVQPIEA-MLGOLLRUSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794801458 1137252194 /nfs/dbraw/zinc/25/21/94/1137252194.db2.gz GHEUJHCVVQPIEA-MLGOLLRUSA-N 1 2 329.362 3.836 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)c(C)c1 ZINC001144202447 1137253489 /nfs/dbraw/zinc/25/34/89/1137253489.db2.gz QBNKIYVUZMNVIR-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)c2)[nH+]c1C ZINC000864988842 1137256559 /nfs/dbraw/zinc/25/65/59/1137256559.db2.gz HPYUVPNUAUDEID-ZWKOTPCHSA-N 1 2 339.439 3.695 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1([C@@H]2CCCCO2)CCC1 ZINC000865071495 1137261550 /nfs/dbraw/zinc/26/15/50/1137261550.db2.gz BBYFKIUSQNOWOC-INIZCTEOSA-N 1 2 325.412 3.755 20 0 EHADLO O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144288231 1137269044 /nfs/dbraw/zinc/26/90/44/1137269044.db2.gz TXMONXNMKZZWKE-ZCWABKARSA-N 1 2 338.495 3.670 20 0 EHADLO CCc1cccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1 ZINC001144329190 1137274060 /nfs/dbraw/zinc/27/40/60/1137274060.db2.gz QNENSJORVKWRAO-SFHVURJKSA-N 1 2 333.472 3.572 20 0 EHADLO CCc1cccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1 ZINC001144329190 1137274062 /nfs/dbraw/zinc/27/40/62/1137274062.db2.gz QNENSJORVKWRAO-SFHVURJKSA-N 1 2 333.472 3.572 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000865290731 1137274877 /nfs/dbraw/zinc/27/48/77/1137274877.db2.gz MJMFNYGEHXEZFX-UHFFFAOYSA-N 1 2 348.450 3.904 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1nccc(C)c1Br ZINC000865407011 1137280587 /nfs/dbraw/zinc/28/05/87/1137280587.db2.gz AIIJUYLAKZOWPQ-UHFFFAOYSA-N 1 2 335.245 3.759 20 0 EHADLO Ic1c[nH]c(C[N@@H+]2CCC23CCCCC3)c1 ZINC001144397184 1137282687 /nfs/dbraw/zinc/28/26/87/1137282687.db2.gz WIUTUUUZGLVVMQ-UHFFFAOYSA-N 1 2 330.213 3.528 20 0 EHADLO Cc1ccnc(CNc2ccc(N3CCCC3)c[nH+]2)c1Br ZINC000865424491 1137282525 /nfs/dbraw/zinc/28/25/25/1137282525.db2.gz VYJVMMXMRAKNIC-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Ic1c[nH]c(C[N@H+]2CCC23CCCCC3)c1 ZINC001144397184 1137282689 /nfs/dbraw/zinc/28/26/89/1137282689.db2.gz WIUTUUUZGLVVMQ-UHFFFAOYSA-N 1 2 330.213 3.528 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000845268102 1137282847 /nfs/dbraw/zinc/28/28/47/1137282847.db2.gz AHVJMLUSEHGXDU-BBRMVZONSA-N 1 2 333.863 3.871 20 0 EHADLO Cc1ccc(-c2cnc(COC(=O)C[C@@H](C)n3cc[nH+]c3)o2)cc1 ZINC000845282572 1137283705 /nfs/dbraw/zinc/28/37/05/1137283705.db2.gz PTNYZTUIMOIWHW-CQSZACIVSA-N 1 2 325.368 3.541 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3ccc(C(=O)N4CCCC4)cc3)ccc21 ZINC000865500269 1137289349 /nfs/dbraw/zinc/28/93/49/1137289349.db2.gz RTZAVTLIYYSDDE-UHFFFAOYSA-N 1 2 349.478 3.917 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3ccc(C(=O)N4CCCC4)cc3)ccc21 ZINC000865500269 1137289351 /nfs/dbraw/zinc/28/93/51/1137289351.db2.gz RTZAVTLIYYSDDE-UHFFFAOYSA-N 1 2 349.478 3.917 20 0 EHADLO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1csc2ccccc21 ZINC000845450638 1137292651 /nfs/dbraw/zinc/29/26/51/1137292651.db2.gz ZNCUCAFIRMOBOG-ZDUSSCGKSA-N 1 2 339.464 3.854 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc3c(F)cccc3c2)[nH]1 ZINC000865542872 1137293490 /nfs/dbraw/zinc/29/34/90/1137293490.db2.gz YJYBDBMEPHDSJE-NEPJUHHUSA-N 1 2 327.407 3.856 20 0 EHADLO CC(C)[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000845502777 1137295457 /nfs/dbraw/zinc/29/54/57/1137295457.db2.gz NSTQCMRYYHRVEE-LJQANCHMSA-N 1 2 348.393 3.981 20 0 EHADLO COc1ncc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1F ZINC001144462859 1137297000 /nfs/dbraw/zinc/29/70/00/1137297000.db2.gz JQJOKNZBUZIENL-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO C[C@H]1CCN(c2nc(Cl)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000865610825 1137298569 /nfs/dbraw/zinc/29/85/69/1137298569.db2.gz ADITYEPXYWLQJM-WFASDCNBSA-N 1 2 327.819 3.567 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cn(C4CC4)cn3)[nH+]c2)c1 ZINC000865629780 1137300197 /nfs/dbraw/zinc/30/01/97/1137300197.db2.gz QBOHCVMEFZFLEW-UHFFFAOYSA-N 1 2 335.411 3.977 20 0 EHADLO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001144494825 1137300961 /nfs/dbraw/zinc/30/09/61/1137300961.db2.gz FWLZPWFDDSWRPB-MRXNPFEDSA-N 1 2 344.833 3.654 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@@H](Cc4ccncc4)C3)nc[nH+]2)cc1 ZINC000865670538 1137303757 /nfs/dbraw/zinc/30/37/57/1137303757.db2.gz ZFRDSKRDILZEHB-IBGZPJMESA-N 1 2 345.450 3.553 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@@H](Cc4ccncc4)C3)[nH+]cn2)cc1 ZINC000865670538 1137303758 /nfs/dbraw/zinc/30/37/58/1137303758.db2.gz ZFRDSKRDILZEHB-IBGZPJMESA-N 1 2 345.450 3.553 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)n2C)c1 ZINC000845731250 1137307448 /nfs/dbraw/zinc/30/74/48/1137307448.db2.gz VIVACFIDKVSMSH-UHFFFAOYSA-N 1 2 348.450 3.743 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)n2C)c1 ZINC000845731250 1137307449 /nfs/dbraw/zinc/30/74/49/1137307449.db2.gz VIVACFIDKVSMSH-UHFFFAOYSA-N 1 2 348.450 3.743 20 0 EHADLO COc1cc(C[NH2+]Cc2nn(C)cc2C(F)F)cc(C(F)(F)F)c1 ZINC000865806391 1137313244 /nfs/dbraw/zinc/31/32/44/1137313244.db2.gz JMYHVXOEESILAB-UHFFFAOYSA-N 1 2 349.303 3.675 20 0 EHADLO FC(F)c1ccc(C[NH2+]Cc2ncc(Br)s2)cn1 ZINC000865848129 1137316151 /nfs/dbraw/zinc/31/61/51/1137316151.db2.gz GFNDENLFLJCGLM-UHFFFAOYSA-N 1 2 334.189 3.528 20 0 EHADLO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3coc(C4CC4)n3)CC2)n1 ZINC000846055007 1137331050 /nfs/dbraw/zinc/33/10/50/1137331050.db2.gz RMBFSFYXNYAMOL-LRDDRELGSA-N 1 2 342.443 3.513 20 0 EHADLO CC(C)(C)OC(=O)N1CCCCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000846069783 1137332486 /nfs/dbraw/zinc/33/24/86/1137332486.db2.gz LZXXZIDDUVXNKT-UHFFFAOYSA-N 1 2 348.472 3.682 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)OCCO2 ZINC000866215571 1137335807 /nfs/dbraw/zinc/33/58/07/1137335807.db2.gz KHPOMIAMEHDCQW-VRHCTWJESA-N 1 2 329.371 3.580 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866220860 1137336101 /nfs/dbraw/zinc/33/61/01/1137336101.db2.gz LETAILNMXCEATR-HKUYNNGSSA-N 1 2 342.414 3.843 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)no1 ZINC001144722314 1137339103 /nfs/dbraw/zinc/33/91/03/1137339103.db2.gz UZQLPODPEDEHSS-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)no1 ZINC001144722314 1137339104 /nfs/dbraw/zinc/33/91/04/1137339104.db2.gz UZQLPODPEDEHSS-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO CCOc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)ccc1OC ZINC000866266555 1137340912 /nfs/dbraw/zinc/34/09/12/1137340912.db2.gz LBQWQXATISZOEK-HNAYVOBHSA-N 1 2 331.387 3.655 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000846211411 1137343433 /nfs/dbraw/zinc/34/34/33/1137343433.db2.gz FQFUMVSIJQTASS-HOTGVXAUSA-N 1 2 349.475 3.866 20 0 EHADLO ClC1(Cl)C[C@H]1CCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000846212634 1137343504 /nfs/dbraw/zinc/34/35/04/1137343504.db2.gz FYTRMCZAJNXCAU-OLZOCXBDSA-N 1 2 331.291 3.990 20 0 EHADLO COCCCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866309328 1137344322 /nfs/dbraw/zinc/34/43/22/1137344322.db2.gz NRRKGSZBTULRDQ-ICSRJNTNSA-N 1 2 345.414 3.663 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000846298917 1137346001 /nfs/dbraw/zinc/34/60/01/1137346001.db2.gz KHFMWXCHMOVLSO-KRWDZBQOSA-N 1 2 325.456 3.752 20 0 EHADLO C[C@@H](CCc1cccnc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000866331720 1137346484 /nfs/dbraw/zinc/34/64/84/1137346484.db2.gz OMOXIJWDDHAZDB-KRWDZBQOSA-N 1 2 336.439 3.790 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(SC(F)(F)F)c2)[nH]1 ZINC000866364551 1137349737 /nfs/dbraw/zinc/34/97/37/1137349737.db2.gz RGAMDJQVIJYBIG-VIFPVBQESA-N 1 2 330.379 3.830 20 0 EHADLO CCn1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2F)nn1 ZINC000866389833 1137351203 /nfs/dbraw/zinc/35/12/03/1137351203.db2.gz PGJMVCVIWADFIX-IBGZPJMESA-N 1 2 342.393 3.650 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(F)=C3CCCC3)CC2)c1 ZINC001144921919 1137362963 /nfs/dbraw/zinc/36/29/63/1137362963.db2.gz OBVKIBWSFPSLCL-OAHLLOKOSA-N 1 2 346.446 3.698 20 0 EHADLO Cc1cc(N(CC(C)C)C[C@H](O)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000772950874 1137363858 /nfs/dbraw/zinc/36/38/58/1137363858.db2.gz SAJHQMHCDYYMAU-SFHVURJKSA-N 1 2 343.446 3.998 20 0 EHADLO O[C@@H]1CCCOc2cc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)ccc21 ZINC000846782507 1137365264 /nfs/dbraw/zinc/36/52/64/1137365264.db2.gz OPUBWSDAFZBDFM-LJQANCHMSA-N 1 2 338.382 3.944 20 0 EHADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000846858659 1137372572 /nfs/dbraw/zinc/37/25/72/1137372572.db2.gz QGSLMMRDLYQRHJ-NRFANRHFSA-N 1 2 337.419 3.547 20 0 EHADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000846858659 1137372573 /nfs/dbraw/zinc/37/25/73/1137372573.db2.gz QGSLMMRDLYQRHJ-NRFANRHFSA-N 1 2 337.419 3.547 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC3(CCC3)C2)c1=S ZINC000121885891 1137388304 /nfs/dbraw/zinc/38/83/04/1137388304.db2.gz SMEOYFWPTNIFJD-UHFFFAOYSA-N 1 2 332.448 3.591 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC3(CCC3)C2)c1=S ZINC000121885891 1137388306 /nfs/dbraw/zinc/38/83/06/1137388306.db2.gz SMEOYFWPTNIFJD-UHFFFAOYSA-N 1 2 332.448 3.591 20 0 EHADLO CC(C)(CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000867904626 1137389177 /nfs/dbraw/zinc/38/91/77/1137389177.db2.gz CKIFWJXXIINVFP-GOSISDBHSA-N 1 2 342.414 3.568 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)C1CC=CC1)c1ccc(Cl)cc1Cl ZINC001146703363 1137392971 /nfs/dbraw/zinc/39/29/71/1137392971.db2.gz NIUYLDDCPKYCOJ-OAHLLOKOSA-N 1 2 327.255 3.679 20 0 EHADLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C1CC(OC(C)(C)C)C1 ZINC001171286876 1137395055 /nfs/dbraw/zinc/39/50/55/1137395055.db2.gz LZTBVUYHRLQDDS-UHFFFAOYSA-N 1 2 348.878 3.699 20 0 EHADLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C1CC(OC(C)(C)C)C1 ZINC001171286876 1137395057 /nfs/dbraw/zinc/39/50/57/1137395057.db2.gz LZTBVUYHRLQDDS-UHFFFAOYSA-N 1 2 348.878 3.699 20 0 EHADLO CCCC[C@@H]([NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OC ZINC001171298509 1137401546 /nfs/dbraw/zinc/40/15/46/1137401546.db2.gz LPLJPWOSXUTBBI-BLLLJJGKSA-N 1 2 339.863 3.527 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(c2ccccc2F)CC1 ZINC001147219291 1137402744 /nfs/dbraw/zinc/40/27/44/1137402744.db2.gz WRVCJRNIMVWBNZ-INIZCTEOSA-N 1 2 349.409 3.876 20 0 EHADLO CC(C)C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000122105381 1137405250 /nfs/dbraw/zinc/40/52/50/1137405250.db2.gz JBXQYSKVOSRWGU-MRXNPFEDSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000122105381 1137405251 /nfs/dbraw/zinc/40/52/51/1137405251.db2.gz JBXQYSKVOSRWGU-MRXNPFEDSA-N 1 2 343.446 3.908 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc2cc(Br)ccc2c1 ZINC000772988457 1137420482 /nfs/dbraw/zinc/42/04/82/1137420482.db2.gz LAIXHZHXHMWLLQ-UHFFFAOYSA-N 1 2 345.196 3.693 20 0 EHADLO CCC(CC)CCCN(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001149126311 1137423622 /nfs/dbraw/zinc/42/36/22/1137423622.db2.gz ULZKMHVADYBFMM-FQEVSTJZSA-N 1 2 346.515 3.944 20 0 EHADLO CCC(CC)CCCN(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001149126311 1137423624 /nfs/dbraw/zinc/42/36/24/1137423624.db2.gz ULZKMHVADYBFMM-FQEVSTJZSA-N 1 2 346.515 3.944 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](Cc2cccnc2)C2CCCC2)cc(C)[nH+]1 ZINC000868909597 1137428294 /nfs/dbraw/zinc/42/82/94/1137428294.db2.gz IMFWPOIXWWVJQI-FQEVSTJZSA-N 1 2 337.467 3.759 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001148724044 1137432264 /nfs/dbraw/zinc/43/22/64/1137432264.db2.gz MAFMBNMNNSIJIP-IRXDYDNUSA-N 1 2 333.435 3.723 20 0 EHADLO CC(C)n1cccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282711926 1137440473 /nfs/dbraw/zinc/44/04/73/1137440473.db2.gz GNVMUYWNZHLZLF-INIZCTEOSA-N 1 2 340.471 3.622 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2cc(Br)cc3cccnc32)n1 ZINC000348108378 1137445607 /nfs/dbraw/zinc/44/56/07/1137445607.db2.gz JKWBEONLZGOZDN-SECBINFHSA-N 1 2 347.216 3.540 20 0 EHADLO Cc1ccoc1C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000282825278 1137453540 /nfs/dbraw/zinc/45/35/40/1137453540.db2.gz YWYSDLHWDLQABY-LBPRGKRZSA-N 1 2 326.165 3.713 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000773040188 1137461315 /nfs/dbraw/zinc/46/13/15/1137461315.db2.gz ACJQAAIZOXALGP-ZDUSSCGKSA-N 1 2 340.402 3.860 20 0 EHADLO Fc1cccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)n1 ZINC000773085194 1137464483 /nfs/dbraw/zinc/46/44/83/1137464483.db2.gz GNDIXMAZVFEXFD-CYBMUJFWSA-N 1 2 339.183 3.899 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714929120 1137474497 /nfs/dbraw/zinc/47/44/97/1137474497.db2.gz HPWZXKNXKCVQFB-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO CC(C)c1cc(NC(C)(C)CC(=O)N2CCCC2)nc(C(C)C)[nH+]1 ZINC001171489684 1137491612 /nfs/dbraw/zinc/49/16/12/1137491612.db2.gz DJEYQXVNLMSGPJ-UHFFFAOYSA-N 1 2 332.492 3.926 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1 ZINC001171479620 1137493599 /nfs/dbraw/zinc/49/35/99/1137493599.db2.gz IKACZUNJBUNXKN-VBKZILBWSA-N 1 2 343.398 3.713 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1 ZINC001171479620 1137493601 /nfs/dbraw/zinc/49/36/01/1137493601.db2.gz IKACZUNJBUNXKN-VBKZILBWSA-N 1 2 343.398 3.713 20 0 EHADLO Cc1cc2cc(NC[C@H]3CCC(=O)N(Cc4ccccc4)C3)[nH+]cc2[nH]1 ZINC001171523079 1137496168 /nfs/dbraw/zinc/49/61/68/1137496168.db2.gz WWZHKDCVDWUVJP-QGZVFWFLSA-N 1 2 348.450 3.722 20 0 EHADLO CC(C)(CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000339103281 1137497402 /nfs/dbraw/zinc/49/74/02/1137497402.db2.gz AQMKJZSXGFGYOT-UHFFFAOYSA-N 1 2 327.428 3.727 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1CCc3c(C)cccc3C1)[C@@H]2C ZINC001171566966 1137498480 /nfs/dbraw/zinc/49/84/80/1137498480.db2.gz LQDNQNAKLGUWGV-AEFFLSMTSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1CCc3c(C)cccc3C1)[C@@H]2C ZINC001171566966 1137498481 /nfs/dbraw/zinc/49/84/81/1137498481.db2.gz LQDNQNAKLGUWGV-AEFFLSMTSA-N 1 2 339.483 3.662 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601827 1137500139 /nfs/dbraw/zinc/50/01/39/1137500139.db2.gz MFOHHJBOHOEMNF-TUVASFSCSA-N 1 2 346.462 3.792 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(CC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000870807725 1137511201 /nfs/dbraw/zinc/51/12/01/1137511201.db2.gz ZVJJBMREDFYKCD-GFCCVEGCSA-N 1 2 326.318 3.682 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000871080032 1137521777 /nfs/dbraw/zinc/52/17/77/1137521777.db2.gz KJSSCJSCUOZPAA-PXNSSMCTSA-N 1 2 325.456 3.766 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000871080034 1137521818 /nfs/dbraw/zinc/52/18/18/1137521818.db2.gz KJSSCJSCUOZPAA-XLIONFOSSA-N 1 2 325.456 3.766 20 0 EHADLO O=C1[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)CCCN1Cc1ccccc1 ZINC000871925011 1137563145 /nfs/dbraw/zinc/56/31/45/1137563145.db2.gz TVKYCOYISHCYCE-RBUKOAKNSA-N 1 2 344.405 3.617 20 0 EHADLO [NH3+][C@@H](c1nc(CCC(F)(F)F)no1)c1cccc(C(F)(F)F)c1 ZINC000872172913 1137575221 /nfs/dbraw/zinc/57/52/21/1137575221.db2.gz HXPWAZJIILDCDN-SNVBAGLBSA-N 1 2 339.239 3.631 20 0 EHADLO [NH3+][C@@H](c1nc(CCC(F)(F)F)no1)c1ccc(C(F)(F)F)cc1 ZINC000872173157 1137575280 /nfs/dbraw/zinc/57/52/80/1137575280.db2.gz LWGPCZZOPWXUSD-SNVBAGLBSA-N 1 2 339.239 3.631 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000124152617 1137581616 /nfs/dbraw/zinc/58/16/16/1137581616.db2.gz MHYMHGIIQRMOJM-UHFFFAOYSA-N 1 2 330.453 3.579 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000124152617 1137581617 /nfs/dbraw/zinc/58/16/17/1137581617.db2.gz MHYMHGIIQRMOJM-UHFFFAOYSA-N 1 2 330.453 3.579 20 0 EHADLO CC(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000872667326 1137582669 /nfs/dbraw/zinc/58/26/69/1137582669.db2.gz CMNUWOKIEIKBAE-UHFFFAOYSA-N 1 2 333.229 3.803 20 0 EHADLO COCc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)o1 ZINC000873168766 1137592118 /nfs/dbraw/zinc/59/21/18/1137592118.db2.gz GGEQBKWYYNPVIV-UHFFFAOYSA-N 1 2 334.725 3.783 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3cnc(C4CC4)nc3)no2)c(F)c1 ZINC000873176894 1137592644 /nfs/dbraw/zinc/59/26/44/1137592644.db2.gz VVRCNTSRKKBQSF-UHFFFAOYSA-N 1 2 342.349 3.577 20 0 EHADLO CC(C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)=C1CCC1 ZINC000825694031 1137606608 /nfs/dbraw/zinc/60/66/08/1137606608.db2.gz OPWASRMZIFDUAY-UHFFFAOYSA-N 1 2 349.438 3.762 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1Cc1ccccc1 ZINC000874324935 1137613048 /nfs/dbraw/zinc/61/30/48/1137613048.db2.gz UQKDBTLITRBAFF-SFHVURJKSA-N 1 2 348.450 3.588 20 0 EHADLO CC(C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)cc1 ZINC000874350517 1137613364 /nfs/dbraw/zinc/61/33/64/1137613364.db2.gz XTDDTCBHTSRXPJ-CYBMUJFWSA-N 1 2 343.324 3.567 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1sccc1C(F)F ZINC000874380068 1137613401 /nfs/dbraw/zinc/61/34/01/1137613401.db2.gz VZFFJSHTOVTZNY-UHFFFAOYSA-N 1 2 325.384 3.703 20 0 EHADLO CC[C@](C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000874443276 1137614192 /nfs/dbraw/zinc/61/41/92/1137614192.db2.gz FFHARGHYSMIRDF-ZBFHGGJFSA-N 1 2 339.361 3.818 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(Cl)nc1 ZINC000125771770 1137644762 /nfs/dbraw/zinc/64/47/62/1137644762.db2.gz AIMFAQAYOQOLHW-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(Cl)nc1 ZINC000125771770 1137644763 /nfs/dbraw/zinc/64/47/63/1137644763.db2.gz AIMFAQAYOQOLHW-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO CC(C)[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1cccc(Cl)c1 ZINC000876582703 1137656130 /nfs/dbraw/zinc/65/61/30/1137656130.db2.gz XGUYFDKCKSLKFS-GOSISDBHSA-N 1 2 348.878 3.521 20 0 EHADLO CC(C)[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1cccc(Cl)c1 ZINC000876582703 1137656131 /nfs/dbraw/zinc/65/61/31/1137656131.db2.gz XGUYFDKCKSLKFS-GOSISDBHSA-N 1 2 348.878 3.521 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000876757069 1137660639 /nfs/dbraw/zinc/66/06/39/1137660639.db2.gz AZMGLABGCAPVEF-KZULUSFZSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000876757069 1137660640 /nfs/dbraw/zinc/66/06/40/1137660640.db2.gz AZMGLABGCAPVEF-KZULUSFZSA-N 1 2 342.370 3.635 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804821 1137661867 /nfs/dbraw/zinc/66/18/67/1137661867.db2.gz UOEPPJMFUIWAJK-QWRGUYRKSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804821 1137661868 /nfs/dbraw/zinc/66/18/68/1137661868.db2.gz UOEPPJMFUIWAJK-QWRGUYRKSA-N 1 2 328.890 3.946 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nc(Cl)cs2)[C@@H]2CCCO2)cc1 ZINC000876978965 1137666791 /nfs/dbraw/zinc/66/67/91/1137666791.db2.gz RREJYBKCAPTBHX-SWLSCSKDSA-N 1 2 326.824 3.946 20 0 EHADLO CCOc1c(OC)cc(C[NH2+]Cc2nc(Cl)cs2)cc1OC ZINC000876989223 1137667093 /nfs/dbraw/zinc/66/70/93/1137667093.db2.gz VTMSNGPTOZMWTC-UHFFFAOYSA-N 1 2 342.848 3.502 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccc(C(F)(F)F)cc1 ZINC000877125766 1137670822 /nfs/dbraw/zinc/67/08/22/1137670822.db2.gz UYXHGMKANYQWIO-SNVBAGLBSA-N 1 2 336.766 3.639 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccc(C(F)(F)F)cc1 ZINC000877125765 1137670852 /nfs/dbraw/zinc/67/08/52/1137670852.db2.gz UYXHGMKANYQWIO-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877403079 1137675500 /nfs/dbraw/zinc/67/55/00/1137675500.db2.gz MPEPYNRNFLMBIB-LBPRGKRZSA-N 1 2 340.876 3.576 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877403079 1137675501 /nfs/dbraw/zinc/67/55/01/1137675501.db2.gz MPEPYNRNFLMBIB-LBPRGKRZSA-N 1 2 340.876 3.576 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(Cl)cc1O ZINC000877497961 1137678609 /nfs/dbraw/zinc/67/86/09/1137678609.db2.gz HAFFRZQFYVNQFI-UHFFFAOYSA-N 1 2 327.211 3.701 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1 ZINC000877531150 1137679999 /nfs/dbraw/zinc/67/99/99/1137679999.db2.gz MWQRDEFPXJLCRK-ZDUSSCGKSA-N 1 2 338.860 3.969 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccnc1Br ZINC000877532646 1137680098 /nfs/dbraw/zinc/68/00/98/1137680098.db2.gz WEKUFYCQXOIVQO-CYBMUJFWSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccnc1Br ZINC000877532646 1137680099 /nfs/dbraw/zinc/68/00/99/1137680099.db2.gz WEKUFYCQXOIVQO-CYBMUJFWSA-N 1 2 335.249 3.521 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H]3C=CCC3)cs2)cc1 ZINC000877624071 1137683276 /nfs/dbraw/zinc/68/32/76/1137683276.db2.gz IOGKGGIHIPVMNA-CQSZACIVSA-N 1 2 343.452 3.645 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877822629 1137691935 /nfs/dbraw/zinc/69/19/35/1137691935.db2.gz STLUYUJHDPKTFN-GFCCVEGCSA-N 1 2 343.267 3.580 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877822629 1137691936 /nfs/dbraw/zinc/69/19/36/1137691936.db2.gz STLUYUJHDPKTFN-GFCCVEGCSA-N 1 2 343.267 3.580 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)C(C)(C)C ZINC000877966909 1137697355 /nfs/dbraw/zinc/69/73/55/1137697355.db2.gz ZFELAWAECQKMBQ-AWEZNQCLSA-N 1 2 329.531 3.661 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)C(C)(C)C ZINC000877966909 1137697356 /nfs/dbraw/zinc/69/73/56/1137697356.db2.gz ZFELAWAECQKMBQ-AWEZNQCLSA-N 1 2 329.531 3.661 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000878237432 1137708221 /nfs/dbraw/zinc/70/82/21/1137708221.db2.gz YOZFKGRMMWIPKI-UHFFFAOYSA-N 1 2 342.468 3.577 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286505 1137709899 /nfs/dbraw/zinc/70/98/99/1137709899.db2.gz PNNCHBYOEAJKRL-LPHOPBHVSA-N 1 2 345.389 3.736 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286505 1137709900 /nfs/dbraw/zinc/70/99/00/1137709900.db2.gz PNNCHBYOEAJKRL-LPHOPBHVSA-N 1 2 345.389 3.736 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc3c(o2)CCCC3)cc1OC ZINC000878351211 1137712042 /nfs/dbraw/zinc/71/20/42/1137712042.db2.gz PPXPGEGSECWKPD-CYBMUJFWSA-N 1 2 330.428 3.730 20 0 EHADLO C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1cccc(F)c1F ZINC000878375921 1137713465 /nfs/dbraw/zinc/71/34/65/1137713465.db2.gz KQMVCUJXJJWGBZ-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427292 1137715541 /nfs/dbraw/zinc/71/55/41/1137715541.db2.gz AAUJUAZCJKBTOF-DYVFJYSZSA-N 1 2 339.468 3.522 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427292 1137715542 /nfs/dbraw/zinc/71/55/42/1137715542.db2.gz AAUJUAZCJKBTOF-DYVFJYSZSA-N 1 2 339.468 3.522 20 0 EHADLO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2scnc2Cl)CC1 ZINC000878478846 1137717303 /nfs/dbraw/zinc/71/73/03/1137717303.db2.gz SAHBMFPQMIGMPB-UHFFFAOYSA-N 1 2 345.896 3.676 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524822 1137718782 /nfs/dbraw/zinc/71/87/82/1137718782.db2.gz SEFRKGGOWOGYMX-LSDHHAIUSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524822 1137718783 /nfs/dbraw/zinc/71/87/83/1137718783.db2.gz SEFRKGGOWOGYMX-LSDHHAIUSA-N 1 2 326.227 3.587 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672326 1137724606 /nfs/dbraw/zinc/72/46/06/1137724606.db2.gz IGZVOTUMEZPESQ-MNOVXSKESA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672326 1137724607 /nfs/dbraw/zinc/72/46/07/1137724607.db2.gz IGZVOTUMEZPESQ-MNOVXSKESA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672325 1137724620 /nfs/dbraw/zinc/72/46/20/1137724620.db2.gz IGZVOTUMEZPESQ-GHMZBOCLSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672325 1137724621 /nfs/dbraw/zinc/72/46/21/1137724621.db2.gz IGZVOTUMEZPESQ-GHMZBOCLSA-N 1 2 344.406 3.706 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccccc3OC)n2)[C@H](CC)CO1 ZINC000878804071 1137728652 /nfs/dbraw/zinc/72/86/52/1137728652.db2.gz OYXMDMJIAOMNEN-HZPDHXFCSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3OC)n2)[C@H](CC)CO1 ZINC000878804071 1137728653 /nfs/dbraw/zinc/72/86/53/1137728653.db2.gz OYXMDMJIAOMNEN-HZPDHXFCSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804299 1137728668 /nfs/dbraw/zinc/72/86/68/1137728668.db2.gz UEJJEEZQHSDTNZ-HNNXBMFYSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804299 1137728669 /nfs/dbraw/zinc/72/86/69/1137728669.db2.gz UEJJEEZQHSDTNZ-HNNXBMFYSA-N 1 2 330.428 3.740 20 0 EHADLO Clc1nc(C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cs1 ZINC000878905317 1137731606 /nfs/dbraw/zinc/73/16/06/1137731606.db2.gz SIVUWBGMNAUSTO-LBPRGKRZSA-N 1 2 330.844 3.729 20 0 EHADLO Clc1nc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cs1 ZINC000878905317 1137731607 /nfs/dbraw/zinc/73/16/07/1137731607.db2.gz SIVUWBGMNAUSTO-LBPRGKRZSA-N 1 2 330.844 3.729 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@@H](CC(F)(F)F)O1 ZINC000878997162 1137734739 /nfs/dbraw/zinc/73/47/39/1137734739.db2.gz BQGMUHVUUMLGGJ-XLNGHYISSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@@H](CC(F)(F)F)O1 ZINC000878997162 1137734740 /nfs/dbraw/zinc/73/47/40/1137734740.db2.gz BQGMUHVUUMLGGJ-XLNGHYISSA-N 1 2 343.389 3.948 20 0 EHADLO Cc1cccc(-c2noc(CSCc3cc[nH+]c(N(C)C)c3)n2)c1 ZINC000127498946 1137737186 /nfs/dbraw/zinc/73/71/86/1137737186.db2.gz VJYZCWCONIHKDE-UHFFFAOYSA-N 1 2 340.452 3.939 20 0 EHADLO Clc1ncc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)s1 ZINC000879551025 1137750579 /nfs/dbraw/zinc/75/05/79/1137750579.db2.gz YBHCKGPEVPYQHR-UHFFFAOYSA-N 1 2 338.864 3.827 20 0 EHADLO C(c1nc2c(o1)CCCC2)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879553103 1137750598 /nfs/dbraw/zinc/75/05/98/1137750598.db2.gz WXJYSGMBBIFXBE-UHFFFAOYSA-N 1 2 342.443 3.584 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551202 1137750624 /nfs/dbraw/zinc/75/06/24/1137750624.db2.gz OUFSNODFLJUGJH-LLVKDONJSA-N 1 2 343.431 3.538 20 0 EHADLO Clc1ccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)nc1 ZINC000879552105 1137750678 /nfs/dbraw/zinc/75/06/78/1137750678.db2.gz QKKRUAJFICLFAV-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000879735860 1137757249 /nfs/dbraw/zinc/75/72/49/1137757249.db2.gz BNNSZQVTEIOHJF-FQEVSTJZSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2Cc2cccc3cccnc32)cc1 ZINC000879735860 1137757250 /nfs/dbraw/zinc/75/72/50/1137757250.db2.gz BNNSZQVTEIOHJF-FQEVSTJZSA-N 1 2 334.419 3.817 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)c1 ZINC000879752640 1137757996 /nfs/dbraw/zinc/75/79/96/1137757996.db2.gz VTJYEHDCUOYWBR-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccnc(Br)c2)c1 ZINC000879752640 1137757997 /nfs/dbraw/zinc/75/79/97/1137757997.db2.gz VTJYEHDCUOYWBR-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000879976584 1137763781 /nfs/dbraw/zinc/76/37/81/1137763781.db2.gz PZGFGKXNRNFPOE-ZVVDCOBXSA-N 1 2 349.478 3.899 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880187748 1137770519 /nfs/dbraw/zinc/77/05/19/1137770519.db2.gz PUQOZOGGYKQXPP-GJZGRUSLSA-N 1 2 333.357 3.564 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880187748 1137770520 /nfs/dbraw/zinc/77/05/20/1137770520.db2.gz PUQOZOGGYKQXPP-GJZGRUSLSA-N 1 2 333.357 3.564 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2)cc1 ZINC000880296967 1137773904 /nfs/dbraw/zinc/77/39/04/1137773904.db2.gz ICMGWHPXMMFZAP-KRWDZBQOSA-N 1 2 347.455 3.619 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@@H](CF)C3)cc2)cc1 ZINC000880296967 1137773905 /nfs/dbraw/zinc/77/39/05/1137773905.db2.gz ICMGWHPXMMFZAP-KRWDZBQOSA-N 1 2 347.455 3.619 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317189 1137774877 /nfs/dbraw/zinc/77/48/77/1137774877.db2.gz PTIWJZLKUQDFOT-NWDGAFQWSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317189 1137774878 /nfs/dbraw/zinc/77/48/78/1137774878.db2.gz PTIWJZLKUQDFOT-NWDGAFQWSA-N 1 2 335.860 3.613 20 0 EHADLO CN(C[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1)C(=O)OC(C)(C)C ZINC000880344138 1137775715 /nfs/dbraw/zinc/77/57/15/1137775715.db2.gz YRMCXMZFQGSALQ-OAHLLOKOSA-N 1 2 349.475 3.773 20 0 EHADLO CN(C[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1)C(=O)OC(C)(C)C ZINC000880344138 1137775716 /nfs/dbraw/zinc/77/57/16/1137775716.db2.gz YRMCXMZFQGSALQ-OAHLLOKOSA-N 1 2 349.475 3.773 20 0 EHADLO CCc1nnc(C[N@@H+]2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000880372520 1137776916 /nfs/dbraw/zinc/77/69/16/1137776916.db2.gz KFTUSKZQHYJSSP-QGZVFWFLSA-N 1 2 339.361 3.647 20 0 EHADLO CCc1nnc(C[N@H+]2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000880372520 1137776917 /nfs/dbraw/zinc/77/69/17/1137776917.db2.gz KFTUSKZQHYJSSP-QGZVFWFLSA-N 1 2 339.361 3.647 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880386919 1137777408 /nfs/dbraw/zinc/77/74/08/1137777408.db2.gz BHZOOAQFAVXLSG-QGZVFWFLSA-N 1 2 330.501 3.614 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880386919 1137777409 /nfs/dbraw/zinc/77/74/09/1137777409.db2.gz BHZOOAQFAVXLSG-QGZVFWFLSA-N 1 2 330.501 3.614 20 0 EHADLO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH2+]Cc2cc[nH]n2)C1(C)C ZINC000880602411 1137781974 /nfs/dbraw/zinc/78/19/74/1137781974.db2.gz DDXATNJMUOUUQS-INIZCTEOSA-N 1 2 342.443 3.774 20 0 EHADLO Cc1nn(C[N@H+]2CCCC[C@H]2CCC(C)C)c(=O)c2ccccc12 ZINC000128553959 1137783455 /nfs/dbraw/zinc/78/34/55/1137783455.db2.gz YEIZOHPAXNAXIR-KRWDZBQOSA-N 1 2 327.472 3.953 20 0 EHADLO Cc1nn(C[N@@H+]2CCCC[C@H]2CCC(C)C)c(=O)c2ccccc12 ZINC000128553959 1137783456 /nfs/dbraw/zinc/78/34/56/1137783456.db2.gz YEIZOHPAXNAXIR-KRWDZBQOSA-N 1 2 327.472 3.953 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000880780333 1137789448 /nfs/dbraw/zinc/78/94/48/1137789448.db2.gz UZTAKJKCNQLJAK-UHFFFAOYSA-N 1 2 336.386 3.987 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ncsc1C1CC1 ZINC000881030505 1137797873 /nfs/dbraw/zinc/79/78/73/1137797873.db2.gz PDJZJHCGSPPPCK-UHFFFAOYSA-N 1 2 347.488 3.724 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C)CC2)c(=S)n1Cc1ccccc1 ZINC000128775213 1137798983 /nfs/dbraw/zinc/79/89/83/1137798983.db2.gz XUTIKYPAPGCOTD-OAHLLOKOSA-N 1 2 330.501 3.850 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)CC2)c(=S)n1Cc1ccccc1 ZINC000128775213 1137798984 /nfs/dbraw/zinc/79/89/84/1137798984.db2.gz XUTIKYPAPGCOTD-OAHLLOKOSA-N 1 2 330.501 3.850 20 0 EHADLO FC(F)(F)c1nc(C2CC[NH+](Cc3ccc(Cl)nc3)CC2)no1 ZINC001137168001 1137811809 /nfs/dbraw/zinc/81/18/09/1137811809.db2.gz HJXCOUICYRYXDB-UHFFFAOYSA-N 1 2 346.740 3.516 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2(C)C)cc1 ZINC000881659449 1137813061 /nfs/dbraw/zinc/81/30/61/1137813061.db2.gz CZJOWPACDPNQFE-IEBWSBKVSA-N 1 2 337.467 3.549 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2(C)C)cc1 ZINC000881660073 1137813237 /nfs/dbraw/zinc/81/32/37/1137813237.db2.gz KPBKMWOKPWYHBQ-YJBOKZPZSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2(C)C)cc1 ZINC000881660073 1137813238 /nfs/dbraw/zinc/81/32/38/1137813238.db2.gz KPBKMWOKPWYHBQ-YJBOKZPZSA-N 1 2 325.456 3.691 20 0 EHADLO CCc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)s1 ZINC000129267943 1137816144 /nfs/dbraw/zinc/81/61/44/1137816144.db2.gz PUPIMFYBINPKCY-UHFFFAOYSA-N 1 2 344.480 3.703 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904085 1137820078 /nfs/dbraw/zinc/82/00/78/1137820078.db2.gz HPIVMOLQDBCXIR-NJAFHUGGSA-N 1 2 325.456 3.821 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904085 1137820079 /nfs/dbraw/zinc/82/00/79/1137820079.db2.gz HPIVMOLQDBCXIR-NJAFHUGGSA-N 1 2 325.456 3.821 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000888904108 1137820101 /nfs/dbraw/zinc/82/01/01/1137820101.db2.gz HXRIFRHPWYPXDE-GBESFXJTSA-N 1 2 337.467 3.678 20 0 EHADLO Cc1c(C)c(N2CCC(CCCn3cc[nH+]c3)CC2)nnc1Cl ZINC000882174030 1137822732 /nfs/dbraw/zinc/82/27/32/1137822732.db2.gz MDOZAHASBSBCAP-UHFFFAOYSA-N 1 2 333.867 3.640 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000882871810 1137836220 /nfs/dbraw/zinc/83/62/20/1137836220.db2.gz OYLLYGSTPKESJK-LEWJYISDSA-N 1 2 345.446 3.546 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873415 1137836322 /nfs/dbraw/zinc/83/63/22/1137836322.db2.gz ZRKUIZSITTYKKL-PZJWPPBQSA-N 1 2 345.446 3.861 20 0 EHADLO CC(C)CCSCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873587 1137836371 /nfs/dbraw/zinc/83/63/71/1137836371.db2.gz DZMJJHRVAQSBBW-KRWDZBQOSA-N 1 2 331.485 3.520 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C)cc2)n1 ZINC000626154032 1137839044 /nfs/dbraw/zinc/83/90/44/1137839044.db2.gz DEIDRDCOOSQLOV-GOSISDBHSA-N 1 2 343.496 3.609 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C)cc2)n1 ZINC000626154032 1137839045 /nfs/dbraw/zinc/83/90/45/1137839045.db2.gz DEIDRDCOOSQLOV-GOSISDBHSA-N 1 2 343.496 3.609 20 0 EHADLO CC[N@@H+](Cc1c(Cl)nc(Cl)n1C)C[C@H](O)c1ccc(C)cc1 ZINC000130530037 1137839092 /nfs/dbraw/zinc/83/90/92/1137839092.db2.gz PDFNGTQTKPROOF-AWEZNQCLSA-N 1 2 342.270 3.591 20 0 EHADLO CC[N@H+](Cc1c(Cl)nc(Cl)n1C)C[C@H](O)c1ccc(C)cc1 ZINC000130530037 1137839093 /nfs/dbraw/zinc/83/90/93/1137839093.db2.gz PDFNGTQTKPROOF-AWEZNQCLSA-N 1 2 342.270 3.591 20 0 EHADLO COc1cc(Br)ccc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883091939 1137844392 /nfs/dbraw/zinc/84/43/92/1137844392.db2.gz AZZDQYFHBUSDNN-UHFFFAOYSA-N 1 2 338.249 3.594 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1c2c(nn1C)CCSC2 ZINC000883207192 1137848689 /nfs/dbraw/zinc/84/86/89/1137848689.db2.gz HTJSFROZYBKHGC-UHFFFAOYSA-N 1 2 341.484 3.581 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1c2c(nn1C)CCSC2 ZINC000883215395 1137849075 /nfs/dbraw/zinc/84/90/75/1137849075.db2.gz XXOMAULGJKOTEN-UHFFFAOYSA-N 1 2 341.484 3.752 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000131521708 1137855530 /nfs/dbraw/zinc/85/55/30/1137855530.db2.gz HGPGQLZDOSGMKB-QGZVFWFLSA-N 1 2 329.469 3.560 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000131521708 1137855531 /nfs/dbraw/zinc/85/55/31/1137855531.db2.gz HGPGQLZDOSGMKB-QGZVFWFLSA-N 1 2 329.469 3.560 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2CCC2)C[C@H](C)O1 ZINC000131766862 1137860203 /nfs/dbraw/zinc/86/02/03/1137860203.db2.gz DTYRSGQYDHHOOU-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO Fc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)cc1 ZINC001137891430 1137860609 /nfs/dbraw/zinc/86/06/09/1137860609.db2.gz PXKZBWOBEBNUQM-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)cc1 ZINC001137891430 1137860610 /nfs/dbraw/zinc/86/06/10/1137860610.db2.gz PXKZBWOBEBNUQM-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO C[N@H+](CCc1cccc2ccccc21)CN1C(=O)SC(C)(C)C1=O ZINC000132533362 1137866970 /nfs/dbraw/zinc/86/69/70/1137866970.db2.gz QKAMHUDNICCXCB-UHFFFAOYSA-N 1 2 342.464 3.746 20 0 EHADLO C[N@@H+](CCc1cccc2ccccc21)CN1C(=O)SC(C)(C)C1=O ZINC000132533362 1137866971 /nfs/dbraw/zinc/86/69/71/1137866971.db2.gz QKAMHUDNICCXCB-UHFFFAOYSA-N 1 2 342.464 3.746 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2F)cc(C)[nH+]1 ZINC000883695969 1137867438 /nfs/dbraw/zinc/86/74/38/1137867438.db2.gz RUWIYFRVRKURJY-MSOLQXFVSA-N 1 2 327.403 3.523 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cc(C)[nH+]1 ZINC000883695972 1137867471 /nfs/dbraw/zinc/86/74/71/1137867471.db2.gz RUWIYFRVRKURJY-ZWKOTPCHSA-N 1 2 327.403 3.523 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000883775576 1137869782 /nfs/dbraw/zinc/86/97/82/1137869782.db2.gz DQKWZUMESBKBDU-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccco1 ZINC000101596933 1137870929 /nfs/dbraw/zinc/87/09/29/1137870929.db2.gz URQWVRKQLLGEFU-QGZVFWFLSA-N 1 2 345.439 3.944 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245997 1137875393 /nfs/dbraw/zinc/87/53/93/1137875393.db2.gz KXACXELHKAQCHG-ZYHUDNBSSA-N 1 2 327.375 3.978 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245997 1137875394 /nfs/dbraw/zinc/87/53/94/1137875394.db2.gz KXACXELHKAQCHG-ZYHUDNBSSA-N 1 2 327.375 3.978 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875777 1137884864 /nfs/dbraw/zinc/88/48/64/1137884864.db2.gz KERFQVOLOMZYEP-CYBMUJFWSA-N 1 2 347.484 3.708 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875777 1137884865 /nfs/dbraw/zinc/88/48/65/1137884865.db2.gz KERFQVOLOMZYEP-CYBMUJFWSA-N 1 2 347.484 3.708 20 0 EHADLO CCOC(=O)C1CCC(N(CC)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509514682 1137884936 /nfs/dbraw/zinc/88/49/36/1137884936.db2.gz GEFYMCZFWMXCLT-UHFFFAOYSA-N 1 2 333.476 3.857 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348262068 1137886434 /nfs/dbraw/zinc/88/64/34/1137886434.db2.gz QCLBBKMVHUAHOO-WEVVVXLNSA-N 1 2 349.409 3.790 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000111376370 1137904309 /nfs/dbraw/zinc/90/43/09/1137904309.db2.gz WICNXYRLKJHKER-NWDGAFQWSA-N 1 2 335.448 3.831 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)c(Br)cc1O ZINC000113314179 1137912611 /nfs/dbraw/zinc/91/26/11/1137912611.db2.gz DRWFXBHDQPZWFY-SNVBAGLBSA-N 1 2 340.217 3.916 20 0 EHADLO COCc1n[nH]c([C@@H]2CCCC[N@@H+]2Cc2c(C)cc(C)cc2C)n1 ZINC000331967776 1137927329 /nfs/dbraw/zinc/92/73/29/1137927329.db2.gz QNTMZADVVOODDT-KRWDZBQOSA-N 1 2 328.460 3.604 20 0 EHADLO COCc1n[nH]c([C@@H]2CCCC[N@H+]2Cc2c(C)cc(C)cc2C)n1 ZINC000331967776 1137927330 /nfs/dbraw/zinc/92/73/30/1137927330.db2.gz QNTMZADVVOODDT-KRWDZBQOSA-N 1 2 328.460 3.604 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332402769 1137942854 /nfs/dbraw/zinc/94/28/54/1137942854.db2.gz NWMPQACJEQIPOH-VIFPVBQESA-N 1 2 340.214 3.523 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000119575974 1137942861 /nfs/dbraw/zinc/94/28/61/1137942861.db2.gz ISNMMDQEQQNCJR-ZDUSSCGKSA-N 1 2 341.546 3.847 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000119575974 1137942862 /nfs/dbraw/zinc/94/28/62/1137942862.db2.gz ISNMMDQEQQNCJR-ZDUSSCGKSA-N 1 2 341.546 3.847 20 0 EHADLO CC1(C)CCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333019880 1137953074 /nfs/dbraw/zinc/95/30/74/1137953074.db2.gz IGVFNJGAXBHCHE-KRWDZBQOSA-N 1 2 344.503 3.687 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039085 1137953548 /nfs/dbraw/zinc/95/35/48/1137953548.db2.gz CDAJSIVWFDDMMT-AAEUAGOBSA-N 1 2 335.473 3.576 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039085 1137953549 /nfs/dbraw/zinc/95/35/49/1137953549.db2.gz CDAJSIVWFDDMMT-AAEUAGOBSA-N 1 2 335.473 3.576 20 0 EHADLO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333202578 1137958122 /nfs/dbraw/zinc/95/81/22/1137958122.db2.gz ZTQAJFFRGKACFU-YJBOKZPZSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000885245335 1137991776 /nfs/dbraw/zinc/99/17/76/1137991776.db2.gz MGWUXFRXICZCFI-INIZCTEOSA-N 1 2 337.876 3.599 20 0 EHADLO Cc1ccc2nc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)ccc2c1 ZINC001137220181 1138020534 /nfs/dbraw/zinc/02/05/34/1138020534.db2.gz WJEGEIRSVCROAZ-LJQANCHMSA-N 1 2 345.437 3.849 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000885945023 1138027304 /nfs/dbraw/zinc/02/73/04/1138027304.db2.gz YCPHIENHDDDIFJ-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000057604976 1138059904 /nfs/dbraw/zinc/05/99/04/1138059904.db2.gz LLCSLGVYDOBOTD-HNNXBMFYSA-N 1 2 327.428 3.610 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ncco1 ZINC000886274380 1138063367 /nfs/dbraw/zinc/06/33/67/1138063367.db2.gz RMMLJXKWIQXVAS-NSHDSACASA-N 1 2 336.317 3.730 20 0 EHADLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000072976969 1138109908 /nfs/dbraw/zinc/10/99/08/1138109908.db2.gz DBYZEBUPUZCSAT-HNNXBMFYSA-N 1 2 338.879 3.644 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000072976969 1138109909 /nfs/dbraw/zinc/10/99/09/1138109909.db2.gz DBYZEBUPUZCSAT-HNNXBMFYSA-N 1 2 338.879 3.644 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)[nH+]c1C ZINC000886672161 1138112293 /nfs/dbraw/zinc/11/22/93/1138112293.db2.gz JVSMQJNZQYZPNW-UHFFFAOYSA-N 1 2 343.862 3.707 20 0 EHADLO Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C[NH+](C)C)c1 ZINC000073314465 1138112925 /nfs/dbraw/zinc/11/29/25/1138112925.db2.gz QETMMEPVKLLEMU-UHFFFAOYSA-N 1 2 344.889 3.572 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000886723635 1138125880 /nfs/dbraw/zinc/12/58/80/1138125880.db2.gz GRHSLJXUIQUXDI-UHFFFAOYSA-N 1 2 334.441 3.567 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)o1 ZINC000080238342 1138161845 /nfs/dbraw/zinc/16/18/45/1138161845.db2.gz IMVZUTZBTWXYIA-GOSISDBHSA-N 1 2 325.412 3.559 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)c(OC)c1OC ZINC000080346447 1138162100 /nfs/dbraw/zinc/16/21/00/1138162100.db2.gz FQXSQWUIIQVNMS-UHFFFAOYSA-N 1 2 336.457 3.502 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080909160 1138164802 /nfs/dbraw/zinc/16/48/02/1138164802.db2.gz FAQLLONIUUQYMK-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080909160 1138164803 /nfs/dbraw/zinc/16/48/03/1138164803.db2.gz FAQLLONIUUQYMK-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H]3CCc4c3cccc4F)o2)c(C)o1 ZINC000886921169 1138172472 /nfs/dbraw/zinc/17/24/72/1138172472.db2.gz ZYZINOVVUFMEEG-INIZCTEOSA-N 1 2 327.359 3.863 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000084233547 1138178858 /nfs/dbraw/zinc/17/88/58/1138178858.db2.gz ISZNRDVNBYRCLW-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)C1CC1 ZINC000348398977 1138182889 /nfs/dbraw/zinc/18/28/89/1138182889.db2.gz KLVHFVXLRCZNDL-CQSZACIVSA-N 1 2 345.315 3.958 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012625 1138224061 /nfs/dbraw/zinc/22/40/61/1138224061.db2.gz VINNZOJDYBNHOY-MRXNPFEDSA-N 1 2 349.910 3.880 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012625 1138224063 /nfs/dbraw/zinc/22/40/63/1138224063.db2.gz VINNZOJDYBNHOY-MRXNPFEDSA-N 1 2 349.910 3.880 20 0 EHADLO CC[N@H+](Cc1cnccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137238140 1138224193 /nfs/dbraw/zinc/22/41/93/1138224193.db2.gz PLLCXVYKBWRIGT-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CC[N@@H+](Cc1cnccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137238140 1138224195 /nfs/dbraw/zinc/22/41/95/1138224195.db2.gz PLLCXVYKBWRIGT-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H](CC(=O)N(C)CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000092960681 1138233094 /nfs/dbraw/zinc/23/30/94/1138233094.db2.gz KJJZULPDBRGDQG-HNNXBMFYSA-N 1 2 333.863 3.654 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000093159873 1138234858 /nfs/dbraw/zinc/23/48/58/1138234858.db2.gz DJMHVCDNVGFCMU-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000093159873 1138234859 /nfs/dbraw/zinc/23/48/59/1138234859.db2.gz DJMHVCDNVGFCMU-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3nc(C(C)(C)C)cs3)c(C)n2n1 ZINC000093405694 1138237525 /nfs/dbraw/zinc/23/75/25/1138237525.db2.gz CAZWJOIXPPXHID-LBPRGKRZSA-N 1 2 343.500 3.951 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c(C)c1 ZINC001202741309 1138254947 /nfs/dbraw/zinc/25/49/47/1138254947.db2.gz LLQBKZUKNBVYKK-UHFFFAOYSA-N 1 2 325.412 3.774 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000122280378 1138256627 /nfs/dbraw/zinc/25/66/27/1138256627.db2.gz RIZCHMTWWGDECL-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000122280378 1138256628 /nfs/dbraw/zinc/25/66/28/1138256628.db2.gz RIZCHMTWWGDECL-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1C ZINC000122367185 1138257173 /nfs/dbraw/zinc/25/71/73/1138257173.db2.gz ZHGMLBWHEVXQQJ-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1C ZINC000122367185 1138257176 /nfs/dbraw/zinc/25/71/76/1138257176.db2.gz ZHGMLBWHEVXQQJ-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(F)cc(F)c1 ZINC000122347689 1138257280 /nfs/dbraw/zinc/25/72/80/1138257280.db2.gz DZHDOFYPVMBYDW-UHFFFAOYSA-N 1 2 346.381 3.672 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC001202748304 1138266407 /nfs/dbraw/zinc/26/64/07/1138266407.db2.gz ZKOBPEJZRALALW-QGZVFWFLSA-N 1 2 325.412 3.774 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125735774 1138315130 /nfs/dbraw/zinc/31/51/30/1138315130.db2.gz WRRPHQGSIWHASU-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125735774 1138315132 /nfs/dbraw/zinc/31/51/32/1138315132.db2.gz WRRPHQGSIWHASU-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1CCC(F)(F)F ZINC000125869764 1138317850 /nfs/dbraw/zinc/31/78/50/1138317850.db2.gz GJQCFZFQJHOTOX-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO CSc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1Cl ZINC000126131794 1138324906 /nfs/dbraw/zinc/32/49/06/1138324906.db2.gz QVWBOVACGNALOW-UHFFFAOYSA-N 1 2 338.864 3.812 20 0 EHADLO CC(C)c1ncsc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000333746841 1138328051 /nfs/dbraw/zinc/32/80/51/1138328051.db2.gz YWIJXTBBXQHARZ-QWHCGFSZSA-N 1 2 333.461 3.578 20 0 EHADLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902575 1138345402 /nfs/dbraw/zinc/34/54/02/1138345402.db2.gz TXAGIIKDZLWKCQ-ABFRBSLYSA-N 1 2 331.460 3.701 20 0 EHADLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902575 1138345405 /nfs/dbraw/zinc/34/54/05/1138345405.db2.gz TXAGIIKDZLWKCQ-ABFRBSLYSA-N 1 2 331.460 3.701 20 0 EHADLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902577 1138345476 /nfs/dbraw/zinc/34/54/76/1138345476.db2.gz TXAGIIKDZLWKCQ-FSDCSDTHSA-N 1 2 331.460 3.701 20 0 EHADLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902577 1138345478 /nfs/dbraw/zinc/34/54/78/1138345478.db2.gz TXAGIIKDZLWKCQ-FSDCSDTHSA-N 1 2 331.460 3.701 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000128565329 1138393230 /nfs/dbraw/zinc/39/32/30/1138393230.db2.gz XBLAPHAUDKEBPO-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000263927777 1138393712 /nfs/dbraw/zinc/39/37/12/1138393712.db2.gz ATPDAPGRXFAXFP-GXTWGEPZSA-N 1 2 332.835 3.713 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000128637542 1138394968 /nfs/dbraw/zinc/39/49/68/1138394968.db2.gz DCDKSDJDZWQNNY-CQSZACIVSA-N 1 2 339.464 3.748 20 0 EHADLO CC(C)[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000263949464 1138396329 /nfs/dbraw/zinc/39/63/29/1138396329.db2.gz ZFNREGQDELBAJW-MRXNPFEDSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000336874883 1138419041 /nfs/dbraw/zinc/41/90/41/1138419041.db2.gz YUYJXSKSOJFPEB-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000336874883 1138419043 /nfs/dbraw/zinc/41/90/43/1138419043.db2.gz YUYJXSKSOJFPEB-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264185181 1138436977 /nfs/dbraw/zinc/43/69/77/1138436977.db2.gz KZSHZFNAYTVWPQ-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264185181 1138436978 /nfs/dbraw/zinc/43/69/78/1138436978.db2.gz KZSHZFNAYTVWPQ-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000264235294 1138450602 /nfs/dbraw/zinc/45/06/02/1138450602.db2.gz WGRQHAYAHINRSF-LJQANCHMSA-N 1 2 338.455 3.689 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000264250613 1138454240 /nfs/dbraw/zinc/45/42/40/1138454240.db2.gz PCUYCROCRCHOAI-MRXNPFEDSA-N 1 2 345.487 3.876 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000264262590 1138458180 /nfs/dbraw/zinc/45/81/80/1138458180.db2.gz RZMUWOGRXQCBKD-OAHLLOKOSA-N 1 2 331.460 3.534 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCOc2ccc(Cl)cc2Cl)no1 ZINC000264283023 1138463412 /nfs/dbraw/zinc/46/34/12/1138463412.db2.gz GQOLCGUAEQNCQF-UHFFFAOYSA-N 1 2 330.215 3.589 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000264337313 1138481012 /nfs/dbraw/zinc/48/10/12/1138481012.db2.gz AAVNSUBQERCNMR-RYUDHWBXSA-N 1 2 340.254 3.573 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264343207 1138482738 /nfs/dbraw/zinc/48/27/38/1138482738.db2.gz ZYICXBYWCXGXFV-GOSISDBHSA-N 1 2 338.455 3.840 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337192882 1138491164 /nfs/dbraw/zinc/49/11/64/1138491164.db2.gz UEIFLFCEBLDIOX-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO O=C(CCc1nc2ccccc2o1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000337241277 1138505293 /nfs/dbraw/zinc/50/52/93/1138505293.db2.gz GEKDKMSRCJSNQF-UHFFFAOYSA-N 1 2 332.363 3.585 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000337330283 1138535695 /nfs/dbraw/zinc/53/56/95/1138535695.db2.gz GKUXWWZSJPGTQN-IXDOHACOSA-N 1 2 328.456 3.591 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000337330283 1138535699 /nfs/dbraw/zinc/53/56/99/1138535699.db2.gz GKUXWWZSJPGTQN-IXDOHACOSA-N 1 2 328.456 3.591 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cccc(-c4cccnc4)c3)CCCC2)no1 ZINC000131957319 1138553099 /nfs/dbraw/zinc/55/30/99/1138553099.db2.gz ZVHBFFVJUWLADK-UHFFFAOYSA-N 1 2 334.423 3.999 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000264553649 1138557044 /nfs/dbraw/zinc/55/70/44/1138557044.db2.gz XWSSIKALSDUNPP-UHFFFAOYSA-N 1 2 329.419 3.774 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1cccnc1 ZINC000132330459 1138574109 /nfs/dbraw/zinc/57/41/09/1138574109.db2.gz QISSEWHCEPZMRV-OAQYLSRUSA-N 1 2 337.467 3.561 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1cccnc1 ZINC000132330459 1138574112 /nfs/dbraw/zinc/57/41/12/1138574112.db2.gz QISSEWHCEPZMRV-OAQYLSRUSA-N 1 2 337.467 3.561 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337603772 1138618301 /nfs/dbraw/zinc/61/83/01/1138618301.db2.gz UEUAJFMAUHULDZ-QGZVFWFLSA-N 1 2 338.382 3.667 20 0 EHADLO O=C(CC1CC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000264742450 1138623632 /nfs/dbraw/zinc/62/36/32/1138623632.db2.gz KKIIEDVNUALLSL-UHFFFAOYSA-N 1 2 349.837 3.895 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000337684965 1138643025 /nfs/dbraw/zinc/64/30/25/1138643025.db2.gz PJFXJYUTQAXUFB-UZLBHIALSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000337684965 1138643027 /nfs/dbraw/zinc/64/30/27/1138643027.db2.gz PJFXJYUTQAXUFB-UZLBHIALSA-N 1 2 338.451 3.568 20 0 EHADLO CSc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000264826209 1138650368 /nfs/dbraw/zinc/65/03/68/1138650368.db2.gz HGNFPONUBFIATO-CYBMUJFWSA-N 1 2 346.452 3.647 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC1CCC(c2ccc(F)cc2)CC1 ZINC000337887533 1138691138 /nfs/dbraw/zinc/69/11/38/1138691138.db2.gz ZAAOOCQYXFONTB-UHFFFAOYSA-N 1 2 325.391 3.641 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809635 1138706649 /nfs/dbraw/zinc/70/66/49/1138706649.db2.gz NLPVOZOZXFQEEW-GJZGRUSLSA-N 1 2 339.361 3.505 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809635 1138706652 /nfs/dbraw/zinc/70/66/52/1138706652.db2.gz NLPVOZOZXFQEEW-GJZGRUSLSA-N 1 2 339.361 3.505 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000338032314 1138728277 /nfs/dbraw/zinc/72/82/77/1138728277.db2.gz VLXDHYUHSLQBLM-WCBMZHEXSA-N 1 2 330.379 3.624 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000338030282 1138728291 /nfs/dbraw/zinc/72/82/91/1138728291.db2.gz OIRFKDHCZKQXLD-QGZVFWFLSA-N 1 2 333.435 3.610 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000338174239 1138774608 /nfs/dbraw/zinc/77/46/08/1138774608.db2.gz FRRLNIFFAJIQCW-LBPRGKRZSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265368512 1138835314 /nfs/dbraw/zinc/83/53/14/1138835314.db2.gz MVQGNVFAVBNTCQ-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO CCN(CC)C(=O)c1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000265403334 1138860775 /nfs/dbraw/zinc/86/07/75/1138860775.db2.gz YRYVQUIFCNOUIO-UHFFFAOYSA-N 1 2 338.455 3.757 20 0 EHADLO CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379934 1138873860 /nfs/dbraw/zinc/87/38/60/1138873860.db2.gz KRDDAHYGZLQDSC-MAUKXSAKSA-N 1 2 343.471 3.753 20 0 EHADLO CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379934 1138873870 /nfs/dbraw/zinc/87/38/70/1138873870.db2.gz KRDDAHYGZLQDSC-MAUKXSAKSA-N 1 2 343.471 3.753 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338407053 1138896115 /nfs/dbraw/zinc/89/61/15/1138896115.db2.gz CPKDGNMPBKJRSN-RDJZCZTQSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(C)cc3C)CCC2)n1 ZINC000265452949 1138904016 /nfs/dbraw/zinc/90/40/16/1138904016.db2.gz CPTREARYSYKIEY-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO NC(=O)c1cccc(C[NH+]2Cc3ccccc3-c3ccccc3C2)c1 ZINC000338419987 1138906084 /nfs/dbraw/zinc/90/60/84/1138906084.db2.gz DZPNLPOZEIHHRI-UHFFFAOYSA-N 1 2 328.415 3.968 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 ZINC000348486763 1138928701 /nfs/dbraw/zinc/92/87/01/1138928701.db2.gz ALBKIZVPEFVLEF-UWVGGRQHSA-N 1 2 341.839 3.922 20 0 EHADLO CC(C)Sc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152465809 1139092922 /nfs/dbraw/zinc/09/29/22/1139092922.db2.gz NAHWVTOSCSUVLD-MRXNPFEDSA-N 1 2 341.480 3.591 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000152638132 1139101537 /nfs/dbraw/zinc/10/15/37/1139101537.db2.gz IDMYGKGDSVTLRF-SFHVURJKSA-N 1 2 334.423 3.579 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153362961 1139132623 /nfs/dbraw/zinc/13/26/23/1139132623.db2.gz SZJIKXQSNSFPGV-YQVWRLOYSA-N 1 2 340.471 3.854 20 0 EHADLO C[C@H](CNC(=O)Cc1csc2ccc(Cl)cc12)Cn1cc[nH+]c1 ZINC000153809160 1139152977 /nfs/dbraw/zinc/15/29/77/1139152977.db2.gz WOSKNFDCPXBHBQ-GFCCVEGCSA-N 1 2 347.871 3.746 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137253050 1139189658 /nfs/dbraw/zinc/18/96/58/1139189658.db2.gz NQDDNJWPPMWCGC-ZDUSSCGKSA-N 1 2 335.400 3.520 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137253050 1139189660 /nfs/dbraw/zinc/18/96/60/1139189660.db2.gz NQDDNJWPPMWCGC-ZDUSSCGKSA-N 1 2 335.400 3.520 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)CC2 ZINC000429569963 1139275842 /nfs/dbraw/zinc/27/58/42/1139275842.db2.gz VKFRFZFKVMPQBP-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)CC2 ZINC000429569963 1139275845 /nfs/dbraw/zinc/27/58/45/1139275845.db2.gz VKFRFZFKVMPQBP-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000826680152 1139312366 /nfs/dbraw/zinc/31/23/66/1139312366.db2.gz DLVOJUUEMDWZJR-BZUAXINKSA-N 1 2 340.389 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000826680152 1139312373 /nfs/dbraw/zinc/31/23/73/1139312373.db2.gz DLVOJUUEMDWZJR-BZUAXINKSA-N 1 2 340.389 3.658 20 0 EHADLO CCC(CC)N(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890247822 1139329753 /nfs/dbraw/zinc/32/97/53/1139329753.db2.gz DRKKDSRENUYUGB-GOSISDBHSA-N 1 2 328.460 3.845 20 0 EHADLO CCSCc1ccccc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826695381 1139360213 /nfs/dbraw/zinc/36/02/13/1139360213.db2.gz HGRWWUTVRWSFBQ-LJQANCHMSA-N 1 2 340.492 3.856 20 0 EHADLO CCSCc1ccccc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826695381 1139360219 /nfs/dbraw/zinc/36/02/19/1139360219.db2.gz HGRWWUTVRWSFBQ-LJQANCHMSA-N 1 2 340.492 3.856 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1nc(Cc2ccccc2)no1 ZINC000173925265 1139387024 /nfs/dbraw/zinc/38/70/24/1139387024.db2.gz YOFQUMCLHSGICL-OAHLLOKOSA-N 1 2 333.435 4.000 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001202767375 1139430930 /nfs/dbraw/zinc/43/09/30/1139430930.db2.gz QGTUVVDCGDGYLE-MRXNPFEDSA-N 1 2 337.414 3.641 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000175160697 1139468827 /nfs/dbraw/zinc/46/88/27/1139468827.db2.gz QPEZHALMURECHS-HNNXBMFYSA-N 1 2 325.416 3.571 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)s1 ZINC000175246419 1139475472 /nfs/dbraw/zinc/47/54/72/1139475472.db2.gz KZIJFSDHSPTJDT-UWVGGRQHSA-N 1 2 341.839 3.922 20 0 EHADLO CC(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)=C1CCCC1 ZINC000176575884 1139566395 /nfs/dbraw/zinc/56/63/95/1139566395.db2.gz FPDCWDYPPXSZIQ-UHFFFAOYSA-N 1 2 325.412 3.791 20 0 EHADLO C[C@H]1CCN(C(=O)COc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000177491287 1139622542 /nfs/dbraw/zinc/62/25/42/1139622542.db2.gz OOOLIJCNXGDAIV-QFBILLFUSA-N 1 2 349.434 3.525 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177645249 1139631413 /nfs/dbraw/zinc/63/14/13/1139631413.db2.gz KDYLMRBWABYISV-UHFFFAOYSA-N 1 2 334.467 3.943 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177645249 1139631415 /nfs/dbraw/zinc/63/14/15/1139631415.db2.gz KDYLMRBWABYISV-UHFFFAOYSA-N 1 2 334.467 3.943 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000179598974 1139767520 /nfs/dbraw/zinc/76/75/20/1139767520.db2.gz JYBVVYKSOYEWCQ-LLVKDONJSA-N 1 2 325.359 3.864 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181278522 1139896579 /nfs/dbraw/zinc/89/65/79/1139896579.db2.gz MGYBRDCEDHCCQT-BJLQDIEVSA-N 1 2 339.483 3.952 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181287092 1139898027 /nfs/dbraw/zinc/89/80/27/1139898027.db2.gz HOYKLRBQYQYQOM-CHWSQXEVSA-N 1 2 344.415 3.561 20 0 EHADLO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1c(F)cccc1Cl ZINC000181733938 1139927500 /nfs/dbraw/zinc/92/75/00/1139927500.db2.gz MLJHGARNQUZKNE-LBPRGKRZSA-N 1 2 341.835 3.604 20 0 EHADLO COc1ccccc1CCC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000182356976 1139967262 /nfs/dbraw/zinc/96/72/62/1139967262.db2.gz AHJIFNRSHXYBMO-XMMPIXPASA-N 1 2 342.464 3.533 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)n1 ZINC000182500274 1139976593 /nfs/dbraw/zinc/97/65/93/1139976593.db2.gz YKZHIIGBMVDQJT-IBGZPJMESA-N 1 2 331.460 3.901 20 0 EHADLO Cc1cc2ncc([C@@H](C)Nc3ccc4c(c3)CCC[N@H+]4C)c(C)n2n1 ZINC000182954894 1140003234 /nfs/dbraw/zinc/00/32/34/1140003234.db2.gz MGONHZVFNXVKLK-CQSZACIVSA-N 1 2 335.455 3.902 20 0 EHADLO Cc1cc2ncc([C@@H](C)Nc3ccc4c(c3)CCC[N@@H+]4C)c(C)n2n1 ZINC000182954894 1140003241 /nfs/dbraw/zinc/00/32/41/1140003241.db2.gz MGONHZVFNXVKLK-CQSZACIVSA-N 1 2 335.455 3.902 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000183022467 1140007935 /nfs/dbraw/zinc/00/79/35/1140007935.db2.gz PDJMTCSZYYUWMH-NXEZZACHSA-N 1 2 329.322 3.647 20 0 EHADLO Cc1ccnc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000184153436 1140083946 /nfs/dbraw/zinc/08/39/46/1140083946.db2.gz ZMUSNUAEHANRPL-IEBWSBKVSA-N 1 2 347.422 3.637 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000184470068 1140104366 /nfs/dbraw/zinc/10/43/66/1140104366.db2.gz XJEILEQDRSNJSN-KRWDZBQOSA-N 1 2 335.455 3.781 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000184470068 1140104369 /nfs/dbraw/zinc/10/43/69/1140104369.db2.gz XJEILEQDRSNJSN-KRWDZBQOSA-N 1 2 335.455 3.781 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C)c1ccc(C)o1 ZINC000184711568 1140117121 /nfs/dbraw/zinc/11/71/21/1140117121.db2.gz MLEDYINGKVMAFX-WBVHZDCISA-N 1 2 330.428 3.509 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cs1 ZINC000184726739 1140117597 /nfs/dbraw/zinc/11/75/97/1140117597.db2.gz YBRTWFCVQSCNSI-GXTWGEPZSA-N 1 2 347.459 3.862 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)=O)cs1 ZINC000184747943 1140118621 /nfs/dbraw/zinc/11/86/21/1140118621.db2.gz VMOYSTDWEZLHLK-NWDGAFQWSA-N 1 2 345.468 3.586 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(C)o1 ZINC000184759126 1140119592 /nfs/dbraw/zinc/11/95/92/1140119592.db2.gz VRKZREAWLRLCSD-QGZVFWFLSA-N 1 2 344.455 3.936 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)o1 ZINC000184790712 1140120365 /nfs/dbraw/zinc/12/03/65/1140120365.db2.gz YDGLPLKJJDYPGI-SUMWQHHRSA-N 1 2 348.418 3.594 20 0 EHADLO CSCc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184793461 1140120761 /nfs/dbraw/zinc/12/07/61/1140120761.db2.gz ZNSJBNSZKWKHTR-PBHICJAKSA-N 1 2 344.484 3.861 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)s1 ZINC000185025435 1140131721 /nfs/dbraw/zinc/13/17/21/1140131721.db2.gz FIHJVWSLUNMNIV-GJZGRUSLSA-N 1 2 331.485 3.596 20 0 EHADLO C=Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000185280780 1140143332 /nfs/dbraw/zinc/14/33/32/1140143332.db2.gz XWGHYFVJWLVVPC-UHFFFAOYSA-N 1 2 336.435 3.723 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185297291 1140143875 /nfs/dbraw/zinc/14/38/75/1140143875.db2.gz FYHXXCIGRUDNKZ-KRWDZBQOSA-N 1 2 330.476 3.546 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)CC(C)C ZINC000185423740 1140149906 /nfs/dbraw/zinc/14/99/06/1140149906.db2.gz DTUYPXXSVXPAAV-KRWDZBQOSA-N 1 2 331.504 3.829 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185785925 1140170083 /nfs/dbraw/zinc/17/00/83/1140170083.db2.gz PZTMJCKZFLJDJU-GFCCVEGCSA-N 1 2 335.835 3.810 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)c1 ZINC000185922109 1140177249 /nfs/dbraw/zinc/17/72/49/1140177249.db2.gz UMHQZGUKLBSUIA-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)c1 ZINC000185922109 1140177252 /nfs/dbraw/zinc/17/72/52/1140177252.db2.gz UMHQZGUKLBSUIA-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000186426950 1140203133 /nfs/dbraw/zinc/20/31/33/1140203133.db2.gz FJVJRCKOQLXSLS-FQEVSTJZSA-N 1 2 336.439 3.871 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CC2 ZINC000186811019 1140222684 /nfs/dbraw/zinc/22/26/84/1140222684.db2.gz YDFRVRDMURPYLY-SFHVURJKSA-N 1 2 330.428 3.775 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3nccs3)C2=O)c(C)c1 ZINC000190962225 1140428422 /nfs/dbraw/zinc/42/84/22/1140428422.db2.gz HSPCPXUPMFOJKD-LSDHHAIUSA-N 1 2 329.469 3.524 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000191466480 1140465425 /nfs/dbraw/zinc/46/54/25/1140465425.db2.gz ZFTGNOJSGOQJMY-UHFFFAOYSA-N 1 2 340.471 3.721 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000191466480 1140465426 /nfs/dbraw/zinc/46/54/26/1140465426.db2.gz ZFTGNOJSGOQJMY-UHFFFAOYSA-N 1 2 340.471 3.721 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000192247820 1140514047 /nfs/dbraw/zinc/51/40/47/1140514047.db2.gz VJDLSQCZABBCJR-CQSZACIVSA-N 1 2 349.425 3.766 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000192252164 1140515420 /nfs/dbraw/zinc/51/54/20/1140515420.db2.gz FEMFTUIOQCDFOB-HXUWFJFHSA-N 1 2 339.483 3.878 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000193063472 1140561633 /nfs/dbraw/zinc/56/16/33/1140561633.db2.gz WOAJZCHSPNCFGK-NRFANRHFSA-N 1 2 339.483 3.819 20 0 EHADLO CCCNc1ccc(C[NH2+]Cc2csc(N(CC)C(C)=O)n2)cc1 ZINC000193155750 1140566541 /nfs/dbraw/zinc/56/65/41/1140566541.db2.gz HDZOQCZQJXUEDN-UHFFFAOYSA-N 1 2 346.500 3.628 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000193678438 1140582462 /nfs/dbraw/zinc/58/24/62/1140582462.db2.gz RFZKWSBWJTYJCF-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000193678438 1140582469 /nfs/dbraw/zinc/58/24/69/1140582469.db2.gz RFZKWSBWJTYJCF-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cs1 ZINC000194292442 1140604583 /nfs/dbraw/zinc/60/45/83/1140604583.db2.gz DZOMPCSULQQJAZ-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cs1 ZINC000194292442 1140604589 /nfs/dbraw/zinc/60/45/89/1140604589.db2.gz DZOMPCSULQQJAZ-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266319749 1140668072 /nfs/dbraw/zinc/66/80/72/1140668072.db2.gz WDKFJRMDASTSQL-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO Cc1nc(C2([NH2+]C[C@@H](O)c3cccc(Cl)c3)CCCCC2)no1 ZINC000266679736 1140715367 /nfs/dbraw/zinc/71/53/67/1140715367.db2.gz RVQGYUXZZSQPGB-OAHLLOKOSA-N 1 2 335.835 3.514 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000266957871 1140743207 /nfs/dbraw/zinc/74/32/07/1140743207.db2.gz JFLZFFVETMAPMR-UHFFFAOYSA-N 1 2 328.416 3.528 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000267221562 1140769512 /nfs/dbraw/zinc/76/95/12/1140769512.db2.gz HMECKRWYPROBFT-QZTJIDSGSA-N 1 2 343.496 3.726 20 0 EHADLO Cc1cscc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267289416 1140775986 /nfs/dbraw/zinc/77/59/86/1140775986.db2.gz ZDWXLYKAUWJYOG-AWEZNQCLSA-N 1 2 330.453 3.702 20 0 EHADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000267724577 1140825804 /nfs/dbraw/zinc/82/58/04/1140825804.db2.gz MEFRDTCGPDDDMR-GGXPGOJBSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000267883385 1140845387 /nfs/dbraw/zinc/84/53/87/1140845387.db2.gz PQGAGSFQDMHZEZ-UHFFFAOYSA-N 1 2 329.469 3.748 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccncc1 ZINC000267940664 1140852714 /nfs/dbraw/zinc/85/27/14/1140852714.db2.gz UKYPXBPFPHBNFF-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccncc1 ZINC000267940664 1140852726 /nfs/dbraw/zinc/85/27/26/1140852726.db2.gz UKYPXBPFPHBNFF-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268437260 1140939056 /nfs/dbraw/zinc/93/90/56/1140939056.db2.gz XUBWGSINSQEGOY-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000268993379 1141041820 /nfs/dbraw/zinc/04/18/20/1141041820.db2.gz WUSUMXWBDANOPD-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268993379 1141041810 /nfs/dbraw/zinc/04/18/10/1141041810.db2.gz WUSUMXWBDANOPD-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000269467138 1141113100 /nfs/dbraw/zinc/11/31/00/1141113100.db2.gz ZGHKTNITJFJVKT-STQMWFEESA-N 1 2 331.485 3.831 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269762543 1141142434 /nfs/dbraw/zinc/14/24/34/1141142434.db2.gz YTHLTNKSMYIEOA-NVXWUHKLSA-N 1 2 341.455 3.708 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000270034557 1141170375 /nfs/dbraw/zinc/17/03/75/1141170375.db2.gz MJVHFJZTSJDVQS-INIZCTEOSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1C ZINC000270189325 1141190103 /nfs/dbraw/zinc/19/01/03/1141190103.db2.gz CRZDVPLMYWRLPE-HUUCEWRRSA-N 1 2 336.439 3.864 20 0 EHADLO CN(CCC1CC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270344452 1141209578 /nfs/dbraw/zinc/20/95/78/1141209578.db2.gz OHYUOSBKHSCGKP-UHFFFAOYSA-N 1 2 336.439 3.866 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270380038 1141215718 /nfs/dbraw/zinc/21/57/18/1141215718.db2.gz VTMAGPYUWUOSFE-HNNXBMFYSA-N 1 2 336.439 3.866 20 0 EHADLO O=C(NCC1(C2CC2)CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270386549 1141216402 /nfs/dbraw/zinc/21/64/02/1141216402.db2.gz WYLFJGLFASWOJU-UHFFFAOYSA-N 1 2 348.450 3.914 20 0 EHADLO CCCCO[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270455345 1141225842 /nfs/dbraw/zinc/22/58/42/1141225842.db2.gz LLODOLRMDGPAQK-OAHLLOKOSA-N 1 2 339.439 3.746 20 0 EHADLO CCc1cccnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000270923159 1141282931 /nfs/dbraw/zinc/28/29/31/1141282931.db2.gz DEOAKFIIYGXCJY-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cccnc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000270923159 1141282937 /nfs/dbraw/zinc/28/29/37/1141282937.db2.gz DEOAKFIIYGXCJY-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000270920649 1141283591 /nfs/dbraw/zinc/28/35/91/1141283591.db2.gz FKYIQFQEIVOLEP-OLZOCXBDSA-N 1 2 339.361 3.600 20 0 EHADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271118423 1141309116 /nfs/dbraw/zinc/30/91/16/1141309116.db2.gz KJMOMBVYCUTOSH-PBHICJAKSA-N 1 2 349.434 3.546 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[nH]1 ZINC000271537105 1141390617 /nfs/dbraw/zinc/39/06/17/1141390617.db2.gz QIUMYAOKOGQXCW-CABCVRRESA-N 1 2 338.459 3.585 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000271571967 1141400388 /nfs/dbraw/zinc/40/03/88/1141400388.db2.gz YYCTZZWFTNXEJR-YGRLFVJLSA-N 1 2 335.835 3.809 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000271571967 1141400395 /nfs/dbraw/zinc/40/03/95/1141400395.db2.gz YYCTZZWFTNXEJR-YGRLFVJLSA-N 1 2 335.835 3.809 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271647638 1141412013 /nfs/dbraw/zinc/41/20/13/1141412013.db2.gz DNBDKTXAUXOPIT-OLZOCXBDSA-N 1 2 348.393 3.501 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(C(F)(F)F)cs3)CC2)c1 ZINC000271670023 1141416217 /nfs/dbraw/zinc/41/62/17/1141416217.db2.gz CSIOJUUKRSDJIV-UHFFFAOYSA-N 1 2 328.359 3.949 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273863948 1141435498 /nfs/dbraw/zinc/43/54/98/1141435498.db2.gz OOFQJYRSPQROKE-LLVKDONJSA-N 1 2 348.244 3.991 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273863948 1141435500 /nfs/dbraw/zinc/43/55/00/1141435500.db2.gz OOFQJYRSPQROKE-LLVKDONJSA-N 1 2 348.244 3.991 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000274286509 1141493149 /nfs/dbraw/zinc/49/31/49/1141493149.db2.gz ZJXDJEQHTVXBBP-QWRGUYRKSA-N 1 2 345.447 3.892 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000274294561 1141494768 /nfs/dbraw/zinc/49/47/68/1141494768.db2.gz HVMYPYSTTKITSI-LADRHHBVSA-N 1 2 343.279 3.977 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274326722 1141497466 /nfs/dbraw/zinc/49/74/66/1141497466.db2.gz DUDRRNURQAEMEE-AWEZNQCLSA-N 1 2 338.411 3.554 20 0 EHADLO CC[C@@H](SC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000339173380 1141517566 /nfs/dbraw/zinc/51/75/66/1141517566.db2.gz YNMNOIHZJGJSGB-MRXNPFEDSA-N 1 2 329.469 3.967 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217411 1141531541 /nfs/dbraw/zinc/53/15/41/1141531541.db2.gz CHZCBXAUZIGGDF-RDTXWAMCSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217411 1141531544 /nfs/dbraw/zinc/53/15/44/1141531544.db2.gz CHZCBXAUZIGGDF-RDTXWAMCSA-N 1 2 345.512 3.929 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348583208 1141554452 /nfs/dbraw/zinc/55/44/52/1141554452.db2.gz XHOUIQAJMDUHRN-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348583208 1141554455 /nfs/dbraw/zinc/55/44/55/1141554455.db2.gz XHOUIQAJMDUHRN-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349061330 1141631568 /nfs/dbraw/zinc/63/15/68/1141631568.db2.gz IVYZVBPZODMQAI-IBGZPJMESA-N 1 2 347.418 3.566 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349061330 1141631570 /nfs/dbraw/zinc/63/15/70/1141631570.db2.gz IVYZVBPZODMQAI-IBGZPJMESA-N 1 2 347.418 3.566 20 0 EHADLO O=C(CSc1[nH+]cc2ccccn21)Nc1cc(Cl)ccc1F ZINC000036849909 202332951 /nfs/dbraw/zinc/33/29/51/202332951.db2.gz ACXWMILQXSJFLP-UHFFFAOYSA-N 1 2 335.791 3.858 20 0 EHADLO CSCc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000042799218 201100301 /nfs/dbraw/zinc/10/03/01/201100301.db2.gz BBMHUPRMPJDGRN-UHFFFAOYSA-N 1 2 345.855 3.781 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883022 201116514 /nfs/dbraw/zinc/11/65/14/201116514.db2.gz WWNZCOWPESMJOD-IUODEOHRSA-N 1 2 326.425 3.776 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883022 201116518 /nfs/dbraw/zinc/11/65/18/201116518.db2.gz WWNZCOWPESMJOD-IUODEOHRSA-N 1 2 326.425 3.776 20 0 EHADLO COc1ccccc1[C@@H](N[C@@H](C)c1csc(C)n1)c1[nH+]ccn1C ZINC000359979973 201122759 /nfs/dbraw/zinc/12/27/59/201122759.db2.gz WAZZGCAQNVCJAE-YVEFUNNKSA-N 1 2 342.468 3.634 20 0 EHADLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000054628603 201132195 /nfs/dbraw/zinc/13/21/95/201132195.db2.gz GSIYSBBJFYYGPC-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@@H](c2ccccc2)O1 ZINC000195675005 201150094 /nfs/dbraw/zinc/15/00/94/201150094.db2.gz JVXGYWLVLWSYQE-YJBOKZPZSA-N 1 2 335.407 3.699 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@@H](c2ccccc2)O1 ZINC000195675005 201150098 /nfs/dbraw/zinc/15/00/98/201150098.db2.gz JVXGYWLVLWSYQE-YJBOKZPZSA-N 1 2 335.407 3.699 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)Cc2cn3ccccc3[nH+]2)cc1C ZINC000068380349 201163905 /nfs/dbraw/zinc/16/39/05/201163905.db2.gz PHGQAKWIMDSHOT-LJQANCHMSA-N 1 2 333.435 3.857 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000069067880 201164843 /nfs/dbraw/zinc/16/48/43/201164843.db2.gz RFFFFEWDXQLYTP-NSHDSACASA-N 1 2 337.217 3.674 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000069067880 201164845 /nfs/dbraw/zinc/16/48/45/201164845.db2.gz RFFFFEWDXQLYTP-NSHDSACASA-N 1 2 337.217 3.674 20 0 EHADLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1OC(F)F ZINC000097040082 201378848 /nfs/dbraw/zinc/37/88/48/201378848.db2.gz OTRUGEJQNVPMMA-UHFFFAOYSA-N 1 2 336.338 3.869 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)[nH+]1 ZINC000097040114 201379617 /nfs/dbraw/zinc/37/96/17/201379617.db2.gz LPYFGQHPMOFSRM-GOSISDBHSA-N 1 2 340.423 3.817 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000098136933 201386670 /nfs/dbraw/zinc/38/66/70/201386670.db2.gz PSPHWKVVIFHZIN-AWEZNQCLSA-N 1 2 346.393 3.537 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000098136933 201386672 /nfs/dbraw/zinc/38/66/72/201386672.db2.gz PSPHWKVVIFHZIN-AWEZNQCLSA-N 1 2 346.393 3.537 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccnc1N1CCCCC1 ZINC000072058399 203160462 /nfs/dbraw/zinc/16/04/62/203160462.db2.gz QUBMGGGKXDURMY-UHFFFAOYSA-N 1 2 347.422 3.714 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[C@H]3C)c2)cc[nH+]1 ZINC000536092958 478241192 /nfs/dbraw/zinc/24/11/92/478241192.db2.gz COUJOBVUMPLNRA-KDOFPFPSSA-N 1 2 338.455 3.563 20 0 EHADLO COc1ccc2[nH+]c(NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)ccc2c1 ZINC000624688453 480870069 /nfs/dbraw/zinc/87/00/69/480870069.db2.gz RKXKDQCLICFKIK-IFXJQAMLSA-N 1 2 338.411 3.546 20 0 EHADLO CN(C(=O)Nc1cc(F)cc(F)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432638452 564175749 /nfs/dbraw/zinc/17/57/49/564175749.db2.gz LBYBZGBAJYMOOZ-INIZCTEOSA-N 1 2 342.349 3.941 20 0 EHADLO CC(C)C[N@H+](C/C(Cl)=C\Cl)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820086934 606921678 /nfs/dbraw/zinc/92/16/78/606921678.db2.gz IMERNQPJHBPEFC-VGOFMYFVSA-N 1 2 340.258 3.644 20 0 EHADLO CC(C)C[N@@H+](C/C(Cl)=C\Cl)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820086934 606921679 /nfs/dbraw/zinc/92/16/79/606921679.db2.gz IMERNQPJHBPEFC-VGOFMYFVSA-N 1 2 340.258 3.644 20 0 EHADLO C[C@H]([NH2+]Cc1cscc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626151 608136283 /nfs/dbraw/zinc/13/62/83/608136283.db2.gz MRXZAMNEDPGYTK-QMMMGPOBSA-N 1 2 337.811 3.572 20 0 EHADLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655509 609162093 /nfs/dbraw/zinc/16/20/93/609162093.db2.gz CYVVQWKQYKXQHO-AWEZNQCLSA-N 1 2 334.427 3.640 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@H](C)c3nc(C(F)(F)F)cs3)n2c1 ZINC000278701809 1032058762 /nfs/dbraw/zinc/05/87/62/1032058762.db2.gz JRKGAVZJFAGLPK-SNVBAGLBSA-N 1 2 340.374 3.969 20 0 EHADLO COc1ccc(-n2c3ccccc3[nH+]c2NCc2c[nH]nc2C)cc1 ZINC000195152573 1032059122 /nfs/dbraw/zinc/05/91/22/1032059122.db2.gz BAMRWBCZYXMACP-UHFFFAOYSA-N 1 2 333.395 3.678 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528317332 1032068957 /nfs/dbraw/zinc/06/89/57/1032068957.db2.gz PMFOKEVNVZSIGU-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149074 1125485000 /nfs/dbraw/zinc/48/50/00/1125485000.db2.gz WVRKAZQBLPFQOO-CABCVRRESA-N 1 2 338.879 3.785 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149074 1125485001 /nfs/dbraw/zinc/48/50/01/1125485001.db2.gz WVRKAZQBLPFQOO-CABCVRRESA-N 1 2 338.879 3.785 20 0 EHADLO CC[C@@H](c1noc([C@@H](C)[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000923955027 1032083582 /nfs/dbraw/zinc/08/35/82/1032083582.db2.gz FLWUWSDSLWFOMH-ZWNOBZJWSA-N 1 2 338.249 3.997 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000654710706 1014205824 /nfs/dbraw/zinc/20/58/24/1014205824.db2.gz KKYOWOIKVYQUPT-GXTWGEPZSA-N 1 2 340.418 3.513 20 0 EHADLO Cc1ccc(C)c(SCc2noc(C[C@@H](C)n3cc[nH+]c3)n2)c1 ZINC000579718687 1014251925 /nfs/dbraw/zinc/25/19/25/1014251925.db2.gz LIEQTMWEARIXFT-CQSZACIVSA-N 1 2 328.441 3.979 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1 ZINC000274580855 1014276478 /nfs/dbraw/zinc/27/64/78/1014276478.db2.gz ISXYPDIZDBAICN-NXEZZACHSA-N 1 2 343.374 3.840 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000683112608 1014347201 /nfs/dbraw/zinc/34/72/01/1014347201.db2.gz VLJQIAYBUUSXDU-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339402771 1014359763 /nfs/dbraw/zinc/35/97/63/1014359763.db2.gz BKRNSESZBBKXOM-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)cs1 ZINC000063604816 1014417647 /nfs/dbraw/zinc/41/76/47/1014417647.db2.gz CGWTXOCCCTZMAR-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)cs1 ZINC000063604816 1014417652 /nfs/dbraw/zinc/41/76/52/1014417652.db2.gz CGWTXOCCCTZMAR-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO C[C@@H](CNC(=O)CCc1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000654820927 1014447124 /nfs/dbraw/zinc/44/71/24/1014447124.db2.gz XIRRJCPQQDUOFO-LBPRGKRZSA-N 1 2 340.254 3.575 20 0 EHADLO C[C@H](CCCC(F)(F)F)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000683142093 1014490513 /nfs/dbraw/zinc/49/05/13/1014490513.db2.gz GIGIMHZVQROUND-LLVKDONJSA-N 1 2 342.365 3.567 20 0 EHADLO C[C@@H](CCCC(F)(F)F)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000683142094 1014491028 /nfs/dbraw/zinc/49/10/28/1014491028.db2.gz GIGIMHZVQROUND-NSHDSACASA-N 1 2 342.365 3.567 20 0 EHADLO COC(=O)c1cccnc1C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000459418522 1032093255 /nfs/dbraw/zinc/09/32/55/1032093255.db2.gz AKMPGMIVURHUSD-UHFFFAOYSA-N 1 2 346.377 3.526 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498099 1032094688 /nfs/dbraw/zinc/09/46/88/1032094688.db2.gz UZRXJBFYCVCTFH-FOIQADDNSA-N 1 2 341.455 3.647 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339473546 1014541057 /nfs/dbraw/zinc/54/10/57/1014541057.db2.gz LAJXWDGSMOOKAG-NVXWUHKLSA-N 1 2 343.496 3.553 20 0 EHADLO Oc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000339482607 1014554850 /nfs/dbraw/zinc/55/48/50/1014554850.db2.gz SYGSZUYRHIINQY-UHFFFAOYSA-N 1 2 349.221 3.570 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000654893815 1014560650 /nfs/dbraw/zinc/56/06/50/1014560650.db2.gz VBHAXDSGTLVURP-KDOFPFPSSA-N 1 2 347.409 3.594 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000153928389 1014574779 /nfs/dbraw/zinc/57/47/79/1014574779.db2.gz CKLQGBARLIVIEY-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000153928389 1014574791 /nfs/dbraw/zinc/57/47/91/1014574791.db2.gz CKLQGBARLIVIEY-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc(-c3ccccn3)s2)c(F)c1 ZINC000339522713 1014687008 /nfs/dbraw/zinc/68/70/08/1014687008.db2.gz AAWIYLGTRAYQEW-UHFFFAOYSA-N 1 2 335.354 3.912 20 0 EHADLO CC(C)(C)[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000119012246 1014708130 /nfs/dbraw/zinc/70/81/30/1014708130.db2.gz OPBMLNFWKFJNLI-QGZVFWFLSA-N 1 2 335.398 3.845 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 ZINC000654996622 1014764515 /nfs/dbraw/zinc/76/45/15/1014764515.db2.gz LXDSAECEMPWGGP-ABHNRTSZSA-N 1 2 339.483 3.892 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCc2cccc(OC)c2)no1 ZINC000607727049 1014852515 /nfs/dbraw/zinc/85/25/15/1014852515.db2.gz AQZWHCOWZUMQMW-KRWDZBQOSA-N 1 2 329.444 3.800 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@H+]2CCCc2cccc(OC)c2)no1 ZINC000607727049 1014852528 /nfs/dbraw/zinc/85/25/28/1014852528.db2.gz AQZWHCOWZUMQMW-KRWDZBQOSA-N 1 2 329.444 3.800 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000023666537 1014923609 /nfs/dbraw/zinc/92/36/09/1014923609.db2.gz RDGMQFZDICJVFX-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000023666537 1014923618 /nfs/dbraw/zinc/92/36/18/1014923618.db2.gz RDGMQFZDICJVFX-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)c1 ZINC000182530677 1032108272 /nfs/dbraw/zinc/10/82/72/1032108272.db2.gz MUJFZLPTGIHPBW-NSHDSACASA-N 1 2 342.424 3.607 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(-c3ccsc3)no2)C2CC2)cc1 ZINC000008327945 1015034355 /nfs/dbraw/zinc/03/43/55/1015034355.db2.gz JBOHTGMSHFXQFM-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(-c3ccsc3)no2)C2CC2)cc1 ZINC000008327945 1015034372 /nfs/dbraw/zinc/03/43/72/1015034372.db2.gz JBOHTGMSHFXQFM-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO COc1cccc2c1[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CC2 ZINC000339591906 1015102119 /nfs/dbraw/zinc/10/21/19/1015102119.db2.gz AUYPFSCYALKFGX-INIZCTEOSA-N 1 2 333.391 3.754 20 0 EHADLO CN1c2ccc(CNc3ccc([NH+]4CCCC4)cc3)cc2CCC1=O ZINC000274790515 1015156549 /nfs/dbraw/zinc/15/65/49/1015156549.db2.gz MLGQFNPHPGPFLA-UHFFFAOYSA-N 1 2 335.451 3.808 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000655228590 1015242546 /nfs/dbraw/zinc/24/25/46/1015242546.db2.gz RTSDUFUZXZUSMT-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000655230434 1015252136 /nfs/dbraw/zinc/25/21/36/1015252136.db2.gz YQZGYVHJEVJAFX-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000343734489 1032114781 /nfs/dbraw/zinc/11/47/81/1032114781.db2.gz LLRJPBZBYZLIJE-LBPRGKRZSA-N 1 2 345.834 3.707 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000343734489 1032114787 /nfs/dbraw/zinc/11/47/87/1032114787.db2.gz LLRJPBZBYZLIJE-LBPRGKRZSA-N 1 2 345.834 3.707 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000339648712 1015458150 /nfs/dbraw/zinc/45/81/50/1015458150.db2.gz ZYQQGJGLCFAGHV-INIZCTEOSA-N 1 2 326.444 3.566 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000536678520 1032116731 /nfs/dbraw/zinc/11/67/31/1032116731.db2.gz FGNKIZYKZFNUKJ-NRFANRHFSA-N 1 2 333.435 3.620 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000536678520 1032116740 /nfs/dbraw/zinc/11/67/40/1032116740.db2.gz FGNKIZYKZFNUKJ-NRFANRHFSA-N 1 2 333.435 3.620 20 0 EHADLO Cc1cn[nH]c1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000685618533 1033628440 /nfs/dbraw/zinc/62/84/40/1033628440.db2.gz MXWIQTOMHOWFDN-UHFFFAOYSA-N 1 2 336.169 3.916 20 0 EHADLO Cc1c[nH]nc1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000685618533 1033628449 /nfs/dbraw/zinc/62/84/49/1033628449.db2.gz MXWIQTOMHOWFDN-UHFFFAOYSA-N 1 2 336.169 3.916 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260467 1015473073 /nfs/dbraw/zinc/47/30/73/1015473073.db2.gz QAOSGXPUDNVZIP-ZUMXRPEOSA-N 1 2 325.399 3.684 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260467 1015473078 /nfs/dbraw/zinc/47/30/78/1015473078.db2.gz QAOSGXPUDNVZIP-ZUMXRPEOSA-N 1 2 325.399 3.684 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Cl)c(F)c2)c1C ZINC000179687869 1015550224 /nfs/dbraw/zinc/55/02/24/1015550224.db2.gz GVDGELUOSHZYNX-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C ZINC000660719211 1015570220 /nfs/dbraw/zinc/57/02/20/1015570220.db2.gz DDPDTQMCYXZVRW-YGRLFVJLSA-N 1 2 347.684 3.744 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C ZINC000660719211 1015570231 /nfs/dbraw/zinc/57/02/31/1015570231.db2.gz DDPDTQMCYXZVRW-YGRLFVJLSA-N 1 2 347.684 3.744 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](CC[S@@](=O)c1ccccc1)CC2 ZINC000339734976 1015617552 /nfs/dbraw/zinc/61/75/52/1015617552.db2.gz BBARWHKPNIOFRG-HSZRJFAPSA-N 1 2 349.883 3.515 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](CC[S@@](=O)c1ccccc1)CC2 ZINC000339734976 1015617555 /nfs/dbraw/zinc/61/75/55/1015617555.db2.gz BBARWHKPNIOFRG-HSZRJFAPSA-N 1 2 349.883 3.515 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339776457 1015672930 /nfs/dbraw/zinc/67/29/30/1015672930.db2.gz JNFDVNLBOVLXMR-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2c(F)cccc2C1 ZINC000339776457 1015672936 /nfs/dbraw/zinc/67/29/36/1015672936.db2.gz JNFDVNLBOVLXMR-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO C[N@H+](CCC[NH2+][C@@H](C(=O)[O-])c1ccccc1Cl)C1CCCCC1 ZINC001598481659 992161707 /nfs/dbraw/zinc/16/17/07/992161707.db2.gz XCIKOACKPBMZJD-QGZVFWFLSA-N 1 2 338.879 3.710 20 0 EHADLO C[N@@H+](CCC[NH2+][C@@H](C(=O)[O-])c1ccccc1Cl)C1CCCCC1 ZINC001598481659 992161713 /nfs/dbraw/zinc/16/17/13/992161713.db2.gz XCIKOACKPBMZJD-QGZVFWFLSA-N 1 2 338.879 3.710 20 0 EHADLO CC[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000045572009 1015771967 /nfs/dbraw/zinc/77/19/67/1015771967.db2.gz RBJKBDBOUSHQBB-OAHLLOKOSA-N 1 2 332.835 3.597 20 0 EHADLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000430283616 1015777445 /nfs/dbraw/zinc/77/74/45/1015777445.db2.gz IFXUYUNJFDUHNN-NSHDSACASA-N 1 2 333.482 3.708 20 0 EHADLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000430283616 1015777448 /nfs/dbraw/zinc/77/74/48/1015777448.db2.gz IFXUYUNJFDUHNN-NSHDSACASA-N 1 2 333.482 3.708 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000180243162 1015886657 /nfs/dbraw/zinc/88/66/57/1015886657.db2.gz AFOWEFMMQOUQRV-GOSISDBHSA-N 1 2 343.423 3.808 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000180243162 1015886666 /nfs/dbraw/zinc/88/66/66/1015886666.db2.gz AFOWEFMMQOUQRV-GOSISDBHSA-N 1 2 343.423 3.808 20 0 EHADLO CC(C)n1cnc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000375606050 1016150487 /nfs/dbraw/zinc/15/04/87/1016150487.db2.gz GMOGQGZWTWSVRB-UHFFFAOYSA-N 1 2 347.422 3.632 20 0 EHADLO C[C@H]1CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)C1 ZINC000183187325 1032142160 /nfs/dbraw/zinc/14/21/60/1032142160.db2.gz UXOZXSOGRNKNFD-BYICEURKSA-N 1 2 329.488 3.760 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1O ZINC000155242700 1016351199 /nfs/dbraw/zinc/35/11/99/1016351199.db2.gz YWFXMZBSJVMCQX-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1O ZINC000155242700 1016351206 /nfs/dbraw/zinc/35/12/06/1016351206.db2.gz YWFXMZBSJVMCQX-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000115561271 1016381145 /nfs/dbraw/zinc/38/11/45/1016381145.db2.gz DILAFCOYCVHWMB-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000115561271 1016381161 /nfs/dbraw/zinc/38/11/61/1016381161.db2.gz DILAFCOYCVHWMB-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO C[C@H]([NH2+]Cc1ccco1)c1ccccc1I ZINC000381465679 1033795051 /nfs/dbraw/zinc/79/50/51/1033795051.db2.gz LCCLQMLQILTGDE-JTQLQIEISA-N 1 2 327.165 3.735 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)N3CC[NH+](C(C)C)CC3)s2)c(C)c1 ZINC000140032255 1016482113 /nfs/dbraw/zinc/48/21/13/1016482113.db2.gz NCNUMUZTWOIDSD-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1c1ccccc1 ZINC000430392649 1016614938 /nfs/dbraw/zinc/61/49/38/1016614938.db2.gz JMTAUOCESVBCGP-MJXNMMHHSA-N 1 2 335.382 4.000 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000275383580 1016646339 /nfs/dbraw/zinc/64/63/39/1016646339.db2.gz BWCVDVIOBBAHPF-GFCCVEGCSA-N 1 2 334.370 3.933 20 0 EHADLO CC[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000049412234 1016708728 /nfs/dbraw/zinc/70/87/28/1016708728.db2.gz GFTYDHAPONFQCI-SFHVURJKSA-N 1 2 328.481 3.586 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000275413812 1016724230 /nfs/dbraw/zinc/72/42/30/1016724230.db2.gz DYCIWSCHWHFKPC-LLVKDONJSA-N 1 2 332.354 3.686 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000049718822 1016780338 /nfs/dbraw/zinc/78/03/38/1016780338.db2.gz RQMLMDLPLKGBIB-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000892695167 1016830562 /nfs/dbraw/zinc/83/05/62/1016830562.db2.gz HOKVDMZYXONDOT-GDBMZVCRSA-N 1 2 335.448 3.811 20 0 EHADLO C[C@@H](CC(=O)NCc1cccc(COc2ccccc2)c1)n1cc[nH+]c1 ZINC001125351247 1016840676 /nfs/dbraw/zinc/84/06/76/1016840676.db2.gz HJTHOJIYCNCKDF-KRWDZBQOSA-N 1 2 349.434 3.730 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001167271016 1016903621 /nfs/dbraw/zinc/90/36/21/1016903621.db2.gz SIBAURKXTQBJGQ-UHFFFAOYSA-N 1 2 337.467 3.684 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001167271016 1016903662 /nfs/dbraw/zinc/90/36/62/1016903662.db2.gz SIBAURKXTQBJGQ-UHFFFAOYSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(O)c1 ZINC000181499027 1016922912 /nfs/dbraw/zinc/92/29/12/1016922912.db2.gz YAXIZGHCUJFJLU-NSHDSACASA-N 1 2 329.787 3.946 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000278728449 1032158785 /nfs/dbraw/zinc/15/87/85/1032158785.db2.gz AQANPZWVWSZEOY-NSHDSACASA-N 1 2 328.338 3.608 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000459463402 1032163274 /nfs/dbraw/zinc/16/32/74/1032163274.db2.gz LWUPAEBUQBMEET-GFCCVEGCSA-N 1 2 329.473 3.508 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000459463402 1032163286 /nfs/dbraw/zinc/16/32/86/1032163286.db2.gz LWUPAEBUQBMEET-GFCCVEGCSA-N 1 2 329.473 3.508 20 0 EHADLO FC(F)(F)[C@H]1C[NH+](Cc2cnc(C3CC3)o2)C[C@@H]1C(F)(F)F ZINC000628189291 1032168524 /nfs/dbraw/zinc/16/85/24/1032168524.db2.gz WZEQASMBTYTQTI-UWVGGRQHSA-N 1 2 328.256 3.725 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000538127700 1032170087 /nfs/dbraw/zinc/17/00/87/1032170087.db2.gz RJUPYKUWROHPIT-GFCCVEGCSA-N 1 2 334.366 3.653 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1c(F)cccc1F ZINC000538130239 1032172681 /nfs/dbraw/zinc/17/26/81/1032172681.db2.gz VQQWNXXUCDGVSP-GFCCVEGCSA-N 1 2 348.418 3.754 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080923199 1032206199 /nfs/dbraw/zinc/20/61/99/1032206199.db2.gz YORZKQOFNKZAOB-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923199 1032206214 /nfs/dbraw/zinc/20/62/14/1032206214.db2.gz YORZKQOFNKZAOB-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000080665018 1032229938 /nfs/dbraw/zinc/22/99/38/1032229938.db2.gz QAVGGHQPFUVJFF-RDJZCZTQSA-N 1 2 344.459 3.611 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)nc2c1 ZINC000528405088 1032242373 /nfs/dbraw/zinc/24/23/73/1032242373.db2.gz KSSLOIGOBNUTNJ-HNNXBMFYSA-N 1 2 344.402 3.740 20 0 EHADLO C[C@@H](CC(=O)N(Cc1ccccc1Cl)CC1CC1)n1cc[nH+]c1 ZINC000568753010 1032265765 /nfs/dbraw/zinc/26/57/65/1032265765.db2.gz KMPLBHQMNPQSCP-AWEZNQCLSA-N 1 2 331.847 3.926 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1Br ZINC000459555910 1032274444 /nfs/dbraw/zinc/27/44/44/1032274444.db2.gz GUCZTFCBPVAEIG-AWEZNQCLSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1Br ZINC000459555910 1032274459 /nfs/dbraw/zinc/27/44/59/1032274459.db2.gz GUCZTFCBPVAEIG-AWEZNQCLSA-N 1 2 333.229 3.887 20 0 EHADLO C[C@H]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000536802546 1032282677 /nfs/dbraw/zinc/28/26/77/1032282677.db2.gz YWMARSZSIJBVCF-FUHWJXTLSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)s1 ZINC000528447235 1032286496 /nfs/dbraw/zinc/28/64/96/1032286496.db2.gz DDGSBKVNFWXGNT-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000081301625 1032292924 /nfs/dbraw/zinc/29/29/24/1032292924.db2.gz XXCAUMIEECDDKP-YJBOKZPZSA-N 1 2 327.428 3.617 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)Cc1cccc(F)c1 ZINC000081338557 1032299488 /nfs/dbraw/zinc/29/94/88/1032299488.db2.gz CRAODWFYSKMHMV-HOCLYGCPSA-N 1 2 329.419 3.524 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000184491821 1032305002 /nfs/dbraw/zinc/30/50/02/1032305002.db2.gz XAVRZBYQWVDZGB-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000184491821 1032305012 /nfs/dbraw/zinc/30/50/12/1032305012.db2.gz XAVRZBYQWVDZGB-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000184491802 1032305233 /nfs/dbraw/zinc/30/52/33/1032305233.db2.gz XAVRZBYQWVDZGB-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000184491802 1032305245 /nfs/dbraw/zinc/30/52/45/1032305245.db2.gz XAVRZBYQWVDZGB-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO c1cc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)sn1 ZINC000905017512 1032317401 /nfs/dbraw/zinc/31/74/01/1032317401.db2.gz GRSIKWCVDVOBNE-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO c1cc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)sn1 ZINC000905017512 1032317407 /nfs/dbraw/zinc/31/74/07/1032317407.db2.gz GRSIKWCVDVOBNE-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000081573705 1032334297 /nfs/dbraw/zinc/33/42/97/1032334297.db2.gz IKEZDTVBZJWQTO-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000081573705 1032334308 /nfs/dbraw/zinc/33/43/08/1032334308.db2.gz IKEZDTVBZJWQTO-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343775538 1032343805 /nfs/dbraw/zinc/34/38/05/1032343805.db2.gz WZAKRJWRAOEVRH-CYBMUJFWSA-N 1 2 328.460 3.748 20 0 EHADLO c1cnn(Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)c2)c1 ZINC000185209099 1032369924 /nfs/dbraw/zinc/36/99/24/1032369924.db2.gz VZRHCBAAFQMNME-FQEVSTJZSA-N 1 2 343.434 3.534 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000195210022 1032386842 /nfs/dbraw/zinc/38/68/42/1032386842.db2.gz METPVGUVASTQDI-UHFFFAOYSA-N 1 2 343.471 3.636 20 0 EHADLO OCC[C@H]([NH2+]Cc1ncccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000528521057 1032398606 /nfs/dbraw/zinc/39/86/06/1032398606.db2.gz ZEFAIXQIYWOOSK-AWEZNQCLSA-N 1 2 344.764 3.967 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000528525074 1032402500 /nfs/dbraw/zinc/40/25/00/1032402500.db2.gz MACHSHQBTOQHMB-HXUWFJFHSA-N 1 2 327.399 3.602 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000528525074 1032402505 /nfs/dbraw/zinc/40/25/05/1032402505.db2.gz MACHSHQBTOQHMB-HXUWFJFHSA-N 1 2 327.399 3.602 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3csc(C)c3)n2)c1 ZINC000449281315 1032400484 /nfs/dbraw/zinc/40/04/84/1032400484.db2.gz YZMUHFNKKLULJS-LBPRGKRZSA-N 1 2 329.425 3.966 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000083642941 1032401829 /nfs/dbraw/zinc/40/18/29/1032401829.db2.gz PEPMSVCXWCKVAF-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306737 1032425008 /nfs/dbraw/zinc/42/50/08/1032425008.db2.gz XMJBFNGTLVEASI-LPHOPBHVSA-N 1 2 343.492 3.858 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306737 1032425015 /nfs/dbraw/zinc/42/50/15/1032425015.db2.gz XMJBFNGTLVEASI-LPHOPBHVSA-N 1 2 343.492 3.858 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OC3CCCC3)c2)[nH]1 ZINC000459716799 1032427876 /nfs/dbraw/zinc/42/78/76/1032427876.db2.gz VWWICSCMHOGNNS-UHFFFAOYSA-N 1 2 328.460 3.713 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000449326349 1032437821 /nfs/dbraw/zinc/43/78/21/1032437821.db2.gz UWMKUBAXGXDVOD-GFCCVEGCSA-N 1 2 339.313 3.651 20 0 EHADLO C[C@@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(F)c3C2)CCO1 ZINC000459711028 1032439693 /nfs/dbraw/zinc/43/96/93/1032439693.db2.gz LSZYQGLMNSKIJD-OAHLLOKOSA-N 1 2 326.415 3.567 20 0 EHADLO C[C@@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(F)c3C2)CCO1 ZINC000459711028 1032439699 /nfs/dbraw/zinc/43/96/99/1032439699.db2.gz LSZYQGLMNSKIJD-OAHLLOKOSA-N 1 2 326.415 3.567 20 0 EHADLO Fc1cc(Br)cc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000449330583 1032441868 /nfs/dbraw/zinc/44/18/68/1032441868.db2.gz UXJSPFBLEHNBQF-UHFFFAOYSA-N 1 2 339.208 3.745 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3cccnc3o2)C[C@@](C)(C(F)(F)F)O1 ZINC000449343102 1032458514 /nfs/dbraw/zinc/45/85/14/1032458514.db2.gz HQCCWRGBDXHRLC-HNNXBMFYSA-N 1 2 328.334 3.760 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3cccnc3o2)C[C@@](C)(C(F)(F)F)O1 ZINC000449343102 1032458521 /nfs/dbraw/zinc/45/85/21/1032458521.db2.gz HQCCWRGBDXHRLC-HNNXBMFYSA-N 1 2 328.334 3.760 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767788 1032471049 /nfs/dbraw/zinc/47/10/49/1032471049.db2.gz YBROJVADVVFVKC-ORAYPTAESA-N 1 2 342.389 3.643 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767788 1032471057 /nfs/dbraw/zinc/47/10/57/1032471057.db2.gz YBROJVADVVFVKC-ORAYPTAESA-N 1 2 342.389 3.643 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459795829 1032479350 /nfs/dbraw/zinc/47/93/50/1032479350.db2.gz QUNATBKHKJQDSI-ZNMIVQPWSA-N 1 2 328.460 3.611 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)cc1 ZINC000459799376 1032479890 /nfs/dbraw/zinc/47/98/90/1032479890.db2.gz WSZQPEAQXSNINU-HOCLYGCPSA-N 1 2 345.468 3.605 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@H]3CS4)o2)cc1 ZINC000459799376 1032479895 /nfs/dbraw/zinc/47/98/95/1032479895.db2.gz WSZQPEAQXSNINU-HOCLYGCPSA-N 1 2 345.468 3.605 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1c(F)cccc1F ZINC000537025027 1032489794 /nfs/dbraw/zinc/48/97/94/1032489794.db2.gz HTRGYMLJAYRSEJ-RNODOKPDSA-N 1 2 344.405 3.883 20 0 EHADLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)sn1 ZINC000659825130 1017099830 /nfs/dbraw/zinc/09/98/30/1017099830.db2.gz OERJOZJEKHLDSQ-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)cc(OC)c1OCc1ccccc1 ZINC000449386711 1032512643 /nfs/dbraw/zinc/51/26/43/1032512643.db2.gz JFXITJUIRBXSPS-QGZVFWFLSA-N 1 2 345.414 3.827 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)cc(OC)c1OCc1ccccc1 ZINC000449386711 1032512649 /nfs/dbraw/zinc/51/26/49/1032512649.db2.gz JFXITJUIRBXSPS-QGZVFWFLSA-N 1 2 345.414 3.827 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1c1ccccc1 ZINC000449424842 1032538011 /nfs/dbraw/zinc/53/80/11/1032538011.db2.gz PJENVTIEPUTVQS-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1c1ccccc1 ZINC000449424842 1032538021 /nfs/dbraw/zinc/53/80/21/1032538021.db2.gz PJENVTIEPUTVQS-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426084 1032542973 /nfs/dbraw/zinc/54/29/73/1032542973.db2.gz QRLFHMFQVPRMBZ-IEBWSBKVSA-N 1 2 349.833 3.649 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426084 1032542976 /nfs/dbraw/zinc/54/29/76/1032542976.db2.gz QRLFHMFQVPRMBZ-IEBWSBKVSA-N 1 2 349.833 3.649 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000089969337 1032549950 /nfs/dbraw/zinc/54/99/50/1032549950.db2.gz IEVAVZDYFBTASF-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000643451079 1032545569 /nfs/dbraw/zinc/54/55/69/1032545569.db2.gz USYFKAPUQGLJCC-OLZOCXBDSA-N 1 2 340.349 3.919 20 0 EHADLO c1csc(-c2noc(C[NH2+][C@H](c3ccccn3)C3CCC3)n2)c1 ZINC000528648911 1032554585 /nfs/dbraw/zinc/55/45/85/1032554585.db2.gz JUNCXTCFPUSQMR-INIZCTEOSA-N 1 2 326.425 3.824 20 0 EHADLO CCN(CC)C(=O)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090086137 1032570386 /nfs/dbraw/zinc/57/03/86/1032570386.db2.gz KATSIAGANJGWLV-UHFFFAOYSA-N 1 2 346.519 3.808 20 0 EHADLO CC(C)c1cc(N2CCC([C@H](O)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000090112869 1032574218 /nfs/dbraw/zinc/57/42/18/1032574218.db2.gz KYWYKHWJIHOKNQ-HNNXBMFYSA-N 1 2 345.409 3.863 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ncccc2F)cnn1-c1ccc(F)cc1 ZINC000090720750 1032591767 /nfs/dbraw/zinc/59/17/67/1032591767.db2.gz LEPGMOMFKIFWCG-LBPRGKRZSA-N 1 2 328.366 3.705 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)c2cnccn2)c2ccccc2OC)cc1 ZINC000090772211 1032594075 /nfs/dbraw/zinc/59/40/75/1032594075.db2.gz LUCRFIDEXCMCNV-BTYIYWSLSA-N 1 2 349.434 3.934 20 0 EHADLO CCc1cc(CCCN2CC[NH+](C/C=C/c3ccccc3)CC2)on1 ZINC000584437134 1032603604 /nfs/dbraw/zinc/60/36/04/1032603604.db2.gz UDPZSOYPFHTTKT-UXBLZVDNSA-N 1 2 339.483 3.501 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cncc(F)c1 ZINC000090883192 1032604570 /nfs/dbraw/zinc/60/45/70/1032604570.db2.gz OKZBVJZCPIVREG-LLVKDONJSA-N 1 2 332.329 3.535 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CCCc2sccc2C1 ZINC000592982053 1032649563 /nfs/dbraw/zinc/64/95/63/1032649563.db2.gz BDQNPSHLELOGQT-GOSISDBHSA-N 1 2 344.455 3.655 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CCCc2sccc2C1 ZINC000592982053 1032649573 /nfs/dbraw/zinc/64/95/73/1032649573.db2.gz BDQNPSHLELOGQT-GOSISDBHSA-N 1 2 344.455 3.655 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000606365566 1032653061 /nfs/dbraw/zinc/65/30/61/1032653061.db2.gz CTGMDJVCXMALJF-APWZRJJASA-N 1 2 325.456 3.803 20 0 EHADLO CCSCc1ccnc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602133067 1032663718 /nfs/dbraw/zinc/66/37/18/1032663718.db2.gz LNSHVYYSUQQPCQ-OAHLLOKOSA-N 1 2 332.473 3.757 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000188478166 1017186456 /nfs/dbraw/zinc/18/64/56/1017186456.db2.gz FRGQOPSLJGLROG-SFHVURJKSA-N 1 2 325.412 3.531 20 0 EHADLO C[C@H](OCC1CC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683454070 1017211789 /nfs/dbraw/zinc/21/17/89/1017211789.db2.gz AOTLTWZJQQPMES-AWEZNQCLSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C(c1ccccc1)c1ccccc1 ZINC000188604994 1017218457 /nfs/dbraw/zinc/21/84/57/1017218457.db2.gz LOQIOZONBQDHFF-KRWDZBQOSA-N 1 2 347.462 3.690 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683481224 1017222704 /nfs/dbraw/zinc/22/27/04/1017222704.db2.gz ZFAQLJOPQSDMEC-SJLPKXTDSA-N 1 2 349.434 3.667 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000376957911 1017223022 /nfs/dbraw/zinc/22/30/22/1017223022.db2.gz YXVPJOGHBLPLTK-MRXNPFEDSA-N 1 2 347.418 3.760 20 0 EHADLO COc1ncc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)cc1Br ZINC001140161559 1017324520 /nfs/dbraw/zinc/32/45/20/1017324520.db2.gz MIQBXBYDBFFRMW-JTQLQIEISA-N 1 2 349.219 3.720 20 0 EHADLO COc1ncc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)cc1Br ZINC001140161559 1017324530 /nfs/dbraw/zinc/32/45/30/1017324530.db2.gz MIQBXBYDBFFRMW-JTQLQIEISA-N 1 2 349.219 3.720 20 0 EHADLO C[C@H]1CCc2c(F)cccc2[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000537394880 1032692770 /nfs/dbraw/zinc/69/27/70/1032692770.db2.gz SMCJJNRSJJYSPY-XOBRGWDASA-N 1 2 341.430 3.793 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)[nH]1 ZINC000659834431 1017362869 /nfs/dbraw/zinc/36/28/69/1017362869.db2.gz SNILGTPTYCXDBA-LBPRGKRZSA-N 1 2 341.484 3.917 20 0 EHADLO Cc1cc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc(C)c1F ZINC000537398250 1032695794 /nfs/dbraw/zinc/69/57/94/1032695794.db2.gz LVTPOYINTZRPLA-HNNXBMFYSA-N 1 2 329.419 3.847 20 0 EHADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000683564617 1017389650 /nfs/dbraw/zinc/38/96/50/1017389650.db2.gz RNJNGSCYGOSZFP-CABCVRRESA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000683564617 1017389662 /nfs/dbraw/zinc/38/96/62/1017389662.db2.gz RNJNGSCYGOSZFP-CABCVRRESA-N 1 2 349.887 3.589 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120979720 1017427484 /nfs/dbraw/zinc/42/74/84/1017427484.db2.gz CGGADKREHOWWHJ-INIZCTEOSA-N 1 2 336.391 3.738 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccncc1Br)c1nc(C)cs1 ZINC000625317750 1017433294 /nfs/dbraw/zinc/43/32/94/1017433294.db2.gz IZZYPRZUEMZUGL-GFCCVEGCSA-N 1 2 326.263 3.850 20 0 EHADLO C[C@@H](c1ccccc1)[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000584451979 1032704687 /nfs/dbraw/zinc/70/46/87/1032704687.db2.gz MFHWVUYJLZFRCR-XHDPSFHLSA-N 1 2 335.329 3.615 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1C(C)C ZINC000081798030 1032705432 /nfs/dbraw/zinc/70/54/32/1032705432.db2.gz XSYPDBWQBBQESP-RDJZCZTQSA-N 1 2 343.471 3.535 20 0 EHADLO CCCC[C@H](CC)CNC(=S)NCc1[nH+]cc(C)c(OC)c1C ZINC000064855606 1017551156 /nfs/dbraw/zinc/55/11/56/1017551156.db2.gz ARAWQWDBLZJKMY-HNNXBMFYSA-N 1 2 337.533 3.888 20 0 EHADLO O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574062136 1032708898 /nfs/dbraw/zinc/70/88/98/1032708898.db2.gz JMRVVMGNCJGUAC-WZGPROSRSA-N 1 2 328.456 3.668 20 0 EHADLO COCC1=CC[N@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000187623236 1017585235 /nfs/dbraw/zinc/58/52/35/1017585235.db2.gz GQWXJQHOJUDFOZ-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000187623236 1017585246 /nfs/dbraw/zinc/58/52/46/1017585246.db2.gz GQWXJQHOJUDFOZ-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655793795 1017625595 /nfs/dbraw/zinc/62/55/95/1017625595.db2.gz CVAMLJJGUWMUFX-CWRNSKLLSA-N 1 2 346.862 3.736 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCCC2)cc1 ZINC000655795173 1017628144 /nfs/dbraw/zinc/62/81/44/1017628144.db2.gz YYFNHLZEPWXSAV-AEFFLSMTSA-N 1 2 344.434 3.816 20 0 EHADLO c1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000325525736 1017645867 /nfs/dbraw/zinc/64/58/67/1017645867.db2.gz KLFWDMNOFNAZJF-GOSISDBHSA-N 1 2 330.472 3.817 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)c1 ZINC001143379002 1017721202 /nfs/dbraw/zinc/72/12/02/1017721202.db2.gz PQMUXIGWKDBTRK-UHFFFAOYSA-N 1 2 340.442 3.709 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000121347875 1017728525 /nfs/dbraw/zinc/72/85/25/1017728525.db2.gz WXCSEHIVAVQWQC-UHFFFAOYSA-N 1 2 341.499 3.789 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000134953644 1017813224 /nfs/dbraw/zinc/81/32/24/1017813224.db2.gz DIOHTPDOSWKZQP-FQEVSTJZSA-N 1 2 331.419 3.623 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccccc1Cl)C[C@H]2O ZINC000053145636 1017909122 /nfs/dbraw/zinc/90/91/22/1017909122.db2.gz XUDAWGIXYBKMJW-MLGOLLRUSA-N 1 2 347.842 3.967 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccccc1Cl)C[C@H]2O ZINC000053145636 1017909131 /nfs/dbraw/zinc/90/91/31/1017909131.db2.gz XUDAWGIXYBKMJW-MLGOLLRUSA-N 1 2 347.842 3.967 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+](C1CC1)C1CCCCC1 ZINC000066792546 1017929048 /nfs/dbraw/zinc/92/90/48/1017929048.db2.gz OXWGJSUGGWBTJM-UHFFFAOYSA-N 1 2 341.430 3.804 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+](C1CC1)C1CCCCC1 ZINC000066792546 1017929057 /nfs/dbraw/zinc/92/90/57/1017929057.db2.gz OXWGJSUGGWBTJM-UHFFFAOYSA-N 1 2 341.430 3.804 20 0 EHADLO CC(C)[C@@H]1C[C@@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccccc21 ZINC000683692637 1018038167 /nfs/dbraw/zinc/03/81/67/1018038167.db2.gz JWQKTNSFENYCLS-RBUKOAKNSA-N 1 2 325.456 3.807 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+](C)CC(=O)Nc2ccccc2)c1 ZINC000091916422 1032741380 /nfs/dbraw/zinc/74/13/80/1032741380.db2.gz JMMCTDXNLKURRO-UHFFFAOYSA-N 1 2 334.366 3.667 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+](C)CC(=O)Nc2ccccc2)c1 ZINC000091916422 1032741396 /nfs/dbraw/zinc/74/13/96/1032741396.db2.gz JMMCTDXNLKURRO-UHFFFAOYSA-N 1 2 334.366 3.667 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)ccn1 ZINC000340504268 1018160917 /nfs/dbraw/zinc/16/09/17/1018160917.db2.gz FNMXWIGFOUWGPS-BDAKNGLRSA-N 1 2 331.363 3.977 20 0 EHADLO Cc1cc(C)c(NC(=O)c2nc(Br)ccc2F)c(C)[nH+]1 ZINC001125403706 1018276767 /nfs/dbraw/zinc/27/67/67/1018276767.db2.gz DTECHBSPSFMUJH-UHFFFAOYSA-N 1 2 338.180 3.556 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)c3c(F)cccc3F)ccc2[nH+]1 ZINC000606570303 1032753269 /nfs/dbraw/zinc/75/32/69/1032753269.db2.gz KOKAAEYKDMSCKQ-LLVKDONJSA-N 1 2 330.338 3.804 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143498451 1018284746 /nfs/dbraw/zinc/28/47/46/1018284746.db2.gz DNZFOIWPXBRYFY-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143498451 1018284777 /nfs/dbraw/zinc/28/47/77/1018284777.db2.gz DNZFOIWPXBRYFY-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc([C@H]2CCCO2)s1 ZINC000548031576 1018402075 /nfs/dbraw/zinc/40/20/75/1018402075.db2.gz SKQGCBKRUZGGED-OAHLLOKOSA-N 1 2 346.431 3.537 20 0 EHADLO C[C@@H](OCCCNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000606581360 1032764698 /nfs/dbraw/zinc/76/46/98/1032764698.db2.gz ADGJIBCDQRQIAQ-OAHLLOKOSA-N 1 2 338.411 3.624 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583446 1032766176 /nfs/dbraw/zinc/76/61/76/1032766176.db2.gz BJFQDBALPGMYDG-INIZCTEOSA-N 1 2 336.395 3.542 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2nccn2C2CC2)c1OC(F)F ZINC000893111068 1018530495 /nfs/dbraw/zinc/53/04/95/1018530495.db2.gz OJZNADMYQQVNLP-UHFFFAOYSA-N 1 2 337.370 3.508 20 0 EHADLO O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000606584110 1032770830 /nfs/dbraw/zinc/77/08/30/1032770830.db2.gz BFYSZYUWHUYOJG-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO Fc1ccc2nc(N3CCC(CCCn4cc[nH+]c4)CC3)oc2c1 ZINC000893125869 1018572702 /nfs/dbraw/zinc/57/27/02/1018572702.db2.gz QMGOAGRQWLHMNU-UHFFFAOYSA-N 1 2 328.391 3.860 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\Sc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000255128274 1018672249 /nfs/dbraw/zinc/67/22/49/1018672249.db2.gz IABOLEVFPIRBDO-UFIVEKMNSA-N 1 2 327.453 3.599 20 0 EHADLO O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178803812 1018723366 /nfs/dbraw/zinc/72/33/66/1018723366.db2.gz ZFCUNCQTQBUTRA-HNNXBMFYSA-N 1 2 347.296 3.728 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1Br)c1c(F)cncc1F ZINC000513066039 1018742258 /nfs/dbraw/zinc/74/22/58/1018742258.db2.gz ZFGJOUJGDZIQDP-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1cccc(OCc2ccccc2)c1 ZINC000052326074 1018796132 /nfs/dbraw/zinc/79/61/32/1018796132.db2.gz DRXKCDPRSBYIOI-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580214613 1018805124 /nfs/dbraw/zinc/80/51/24/1018805124.db2.gz AIERVZJULKSYAV-WCQYABFASA-N 1 2 334.489 3.696 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580214613 1018805140 /nfs/dbraw/zinc/80/51/40/1018805140.db2.gz AIERVZJULKSYAV-WCQYABFASA-N 1 2 334.489 3.696 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)CCO2)cc1 ZINC000683840888 1018829650 /nfs/dbraw/zinc/82/96/50/1018829650.db2.gz KNAPCEIKEVWCTM-NRFANRHFSA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)CCO2)cc1 ZINC000683840888 1018829669 /nfs/dbraw/zinc/82/96/69/1018829669.db2.gz KNAPCEIKEVWCTM-NRFANRHFSA-N 1 2 334.419 3.515 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)[C@H]1CCc2ccccc21 ZINC000047406055 1018882919 /nfs/dbraw/zinc/88/29/19/1018882919.db2.gz UBCRPCPYQORZBV-FQEVSTJZSA-N 1 2 348.446 3.565 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)[C@H]1CCc2ccccc21 ZINC000047406055 1018882934 /nfs/dbraw/zinc/88/29/34/1018882934.db2.gz UBCRPCPYQORZBV-FQEVSTJZSA-N 1 2 348.446 3.565 20 0 EHADLO CCCc1c(NCc2[nH]c(C)c(C)[nH+]2)cnn1-c1ccc(F)cc1 ZINC000576410012 1018957432 /nfs/dbraw/zinc/95/74/32/1018957432.db2.gz FGUJEEBJTOXRSQ-UHFFFAOYSA-N 1 2 327.407 3.916 20 0 EHADLO Cc1ccccc1/C=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255372107 1019007282 /nfs/dbraw/zinc/00/72/82/1019007282.db2.gz QEYDOZLALOWLSI-KTKRTIGZSA-N 1 2 331.419 3.569 20 0 EHADLO Cc1cn2cc(NC(=O)NCCC3CC(OC(C)(C)C)C3)ccc2[nH+]1 ZINC000433522324 1019045149 /nfs/dbraw/zinc/04/51/49/1019045149.db2.gz RJEXYAUFHAWNJF-UHFFFAOYSA-N 1 2 344.459 3.748 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340643470 1019057668 /nfs/dbraw/zinc/05/76/68/1019057668.db2.gz VGVJZEJTZRMEOU-LLVKDONJSA-N 1 2 328.803 3.564 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21)n1cc[nH+]c1 ZINC000580332863 1019061883 /nfs/dbraw/zinc/06/18/83/1019061883.db2.gz GIKZDBVDAAHBMQ-TZMCWYRMSA-N 1 2 337.345 3.917 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)s1 ZINC000894180807 1019074726 /nfs/dbraw/zinc/07/47/26/1019074726.db2.gz MENNCFWFJUFWHO-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2ncc(C)cn2)cc1OC ZINC000340661463 1019125259 /nfs/dbraw/zinc/12/52/59/1019125259.db2.gz LNEIWVUQMNVWIC-UHFFFAOYSA-N 1 2 343.471 3.995 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2ncc(C)cn2)cc1OC ZINC000340661463 1019125267 /nfs/dbraw/zinc/12/52/67/1019125267.db2.gz LNEIWVUQMNVWIC-UHFFFAOYSA-N 1 2 343.471 3.995 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000513154917 1019165247 /nfs/dbraw/zinc/16/52/47/1019165247.db2.gz SDAYZQSYSHPMIB-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000513154917 1019165249 /nfs/dbraw/zinc/16/52/49/1019165249.db2.gz SDAYZQSYSHPMIB-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000729033724 1019166833 /nfs/dbraw/zinc/16/68/33/1019166833.db2.gz ZIWQXEQPOYFFDD-DZGCQCFKSA-N 1 2 343.298 3.568 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726260161 1019171072 /nfs/dbraw/zinc/17/10/72/1019171072.db2.gz KWOKICLMEWFPHF-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726260161 1019171085 /nfs/dbraw/zinc/17/10/85/1019171085.db2.gz KWOKICLMEWFPHF-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO Cc1nc2c(cccc2-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)[nH]1 ZINC000340679360 1019200585 /nfs/dbraw/zinc/20/05/85/1019200585.db2.gz HBCGEPUBNZUMQE-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C)[nH+]1 ZINC000408467618 1019230058 /nfs/dbraw/zinc/23/00/58/1019230058.db2.gz OSBNSBCOZSRFRV-HXPMCKFVSA-N 1 2 333.476 3.706 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000052832627 1019279431 /nfs/dbraw/zinc/27/94/31/1019279431.db2.gz RWBFFJSOBARPFD-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000052832627 1019279444 /nfs/dbraw/zinc/27/94/44/1019279444.db2.gz RWBFFJSOBARPFD-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Fc1cc(C[NH2+]Cc2cc(C3CC3)no2)c(F)cc1Br ZINC000639350768 1019327675 /nfs/dbraw/zinc/32/76/75/1019327675.db2.gz PCCXEZNJIVLORX-UHFFFAOYSA-N 1 2 343.171 3.883 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@]1(C)CC1(Cl)Cl ZINC000829058459 1019329532 /nfs/dbraw/zinc/32/95/32/1019329532.db2.gz IRRBRLRIGJSKAU-AWEZNQCLSA-N 1 2 342.274 3.967 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(Cl)c3cccnc23)CC[S@]1=O ZINC000449571277 1032825126 /nfs/dbraw/zinc/82/51/26/1032825126.db2.gz JMWCUYGWDFMFIW-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[S@]1=O ZINC000449571277 1032825138 /nfs/dbraw/zinc/82/51/38/1032825138.db2.gz JMWCUYGWDFMFIW-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000729402859 1019347464 /nfs/dbraw/zinc/34/74/64/1019347464.db2.gz CUSDOKZMHIJMJM-UHFFFAOYSA-N 1 2 344.415 3.649 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCc2sccc2C1 ZINC000593241129 1032826912 /nfs/dbraw/zinc/82/69/12/1032826912.db2.gz WSNHSTGTOORMKC-UHFFFAOYSA-N 1 2 337.448 3.582 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCCCC1 ZINC000471577866 1019356060 /nfs/dbraw/zinc/35/60/60/1019356060.db2.gz MNAXJJCSQOEHLN-KRWDZBQOSA-N 1 2 328.460 3.832 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000580447627 1019381284 /nfs/dbraw/zinc/38/12/84/1019381284.db2.gz NBPMBCBZALJLLD-MEDUHNTESA-N 1 2 337.826 3.894 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000580447627 1019381302 /nfs/dbraw/zinc/38/13/02/1019381302.db2.gz NBPMBCBZALJLLD-MEDUHNTESA-N 1 2 337.826 3.894 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)c2nccn21 ZINC000449572826 1032827969 /nfs/dbraw/zinc/82/79/69/1032827969.db2.gz OFKAJOFGLHABHP-BBRMVZONSA-N 1 2 330.863 3.932 20 0 EHADLO Cc1nc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c2c([nH+]1)CCCC2 ZINC000656229712 1019448163 /nfs/dbraw/zinc/44/81/63/1019448163.db2.gz ZHSIORARIVRDSA-FZMZJTMJSA-N 1 2 329.366 3.576 20 0 EHADLO Cc1nc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)c2c([nH+]1)CCCC2 ZINC000656229711 1019448469 /nfs/dbraw/zinc/44/84/69/1019448469.db2.gz ZHSIORARIVRDSA-BXUZGUMPSA-N 1 2 329.366 3.576 20 0 EHADLO Cc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000576640582 1019448477 /nfs/dbraw/zinc/44/84/77/1019448477.db2.gz OBTXODWZDMPAJE-OAHLLOKOSA-N 1 2 337.427 3.584 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246558275 1019485079 /nfs/dbraw/zinc/48/50/79/1019485079.db2.gz RDOOPZJMWLSMNH-ORAYPTAESA-N 1 2 339.464 3.962 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246558275 1019485094 /nfs/dbraw/zinc/48/50/94/1019485094.db2.gz RDOOPZJMWLSMNH-ORAYPTAESA-N 1 2 339.464 3.962 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c1 ZINC000891291281 1019506677 /nfs/dbraw/zinc/50/66/77/1019506677.db2.gz JVHZSFHQPZEHFR-UHFFFAOYSA-N 1 2 325.456 3.686 20 0 EHADLO c1cc(C[N@@H+](Cc2ccccc2)CC2=Cc3ccccc3OC2)n[nH]1 ZINC000513386388 1019612933 /nfs/dbraw/zinc/61/29/33/1019612933.db2.gz KMGUYNBPWGSIGE-UHFFFAOYSA-N 1 2 331.419 3.888 20 0 EHADLO c1cc(C[N@H+](Cc2ccccc2)CC2=Cc3ccccc3OC2)n[nH]1 ZINC000513386388 1019612950 /nfs/dbraw/zinc/61/29/50/1019612950.db2.gz KMGUYNBPWGSIGE-UHFFFAOYSA-N 1 2 331.419 3.888 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cc1 ZINC000433811264 1019635079 /nfs/dbraw/zinc/63/50/79/1019635079.db2.gz OYPFWUOILBRPLR-UHFFFAOYSA-N 1 2 341.436 3.940 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000513459996 1019718492 /nfs/dbraw/zinc/71/84/92/1019718492.db2.gz ALIGAIVZTXFTQJ-HNNXBMFYSA-N 1 2 341.398 3.637 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000513459996 1019718510 /nfs/dbraw/zinc/71/85/10/1019718510.db2.gz ALIGAIVZTXFTQJ-HNNXBMFYSA-N 1 2 341.398 3.637 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1F ZINC001203399257 1019769618 /nfs/dbraw/zinc/76/96/18/1019769618.db2.gz QPHBPCSZUXYNTA-STQMWFEESA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1F ZINC001203399257 1019769635 /nfs/dbraw/zinc/76/96/35/1019769635.db2.gz QPHBPCSZUXYNTA-STQMWFEESA-N 1 2 343.723 3.706 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000580700850 1019870827 /nfs/dbraw/zinc/87/08/27/1019870827.db2.gz DSWKKLSJTXZYRC-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000580700850 1019870844 /nfs/dbraw/zinc/87/08/44/1019870844.db2.gz DSWKKLSJTXZYRC-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCSCC1 ZINC000047994200 1019898565 /nfs/dbraw/zinc/89/85/65/1019898565.db2.gz NNDYNTNGXBYDKN-JTQLQIEISA-N 1 2 343.374 3.865 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000255714427 1019907124 /nfs/dbraw/zinc/90/71/24/1019907124.db2.gz ZKLUZWOUYRGXCN-BOPUHXCYSA-N 1 2 329.831 3.659 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC(C)(C)C1 ZINC000580720276 1019907682 /nfs/dbraw/zinc/90/76/82/1019907682.db2.gz BGUZOLPXMKRXSV-GDBMZVCRSA-N 1 2 326.444 3.727 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000434068419 1019920675 /nfs/dbraw/zinc/92/06/75/1019920675.db2.gz PENCYKUNHVOKRS-UHFFFAOYSA-N 1 2 348.406 3.787 20 0 EHADLO COc1ccc(OC)c(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923773171 1019924576 /nfs/dbraw/zinc/92/45/76/1019924576.db2.gz FPAMJFQFZXTNQP-HNNXBMFYSA-N 1 2 342.399 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)c1C ZINC000050447890 1019930491 /nfs/dbraw/zinc/93/04/91/1019930491.db2.gz JOQFNBNMKHBTEF-ZWKOTPCHSA-N 1 2 338.451 3.744 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(s2)CCCC3)c1C ZINC000050449681 1019935544 /nfs/dbraw/zinc/93/55/44/1019935544.db2.gz XWEKAMIDUQZYBX-UHFFFAOYSA-N 1 2 330.453 3.577 20 0 EHADLO Fc1ccc([C@H]2COCCN2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000449595471 1032866579 /nfs/dbraw/zinc/86/65/79/1032866579.db2.gz UDNVBMCXVBHTIP-GOSISDBHSA-N 1 2 343.427 3.646 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Oc2cccnc2)cc1 ZINC000340768124 1019958519 /nfs/dbraw/zinc/95/85/19/1019958519.db2.gz AXBDVDKISJSHFW-ZDUSSCGKSA-N 1 2 346.394 3.724 20 0 EHADLO c1cn(CCCC2CCN(c3ncnc4c3CCCCC4)CC2)c[nH+]1 ZINC000340767668 1019958830 /nfs/dbraw/zinc/95/88/30/1019958830.db2.gz ALSDQVNJBNADFK-UHFFFAOYSA-N 1 2 339.487 3.639 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)CCc2cccc(Cl)c2Cl)n1 ZINC000280007917 1019964878 /nfs/dbraw/zinc/96/48/78/1019964878.db2.gz LOTDRJQGKMXAMT-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)CCc2cccc(Cl)c2Cl)n1 ZINC000280007917 1019964888 /nfs/dbraw/zinc/96/48/88/1019964888.db2.gz LOTDRJQGKMXAMT-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)[nH]2)cc1 ZINC000471616204 1019967271 /nfs/dbraw/zinc/96/72/71/1019967271.db2.gz ANJIUXQMFHBULI-MOPGFXCFSA-N 1 2 348.450 3.810 20 0 EHADLO CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510343712 1019968710 /nfs/dbraw/zinc/96/87/10/1019968710.db2.gz UGJVCSBFADUSBL-MSOLQXFVSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160621934 1019981803 /nfs/dbraw/zinc/98/18/03/1019981803.db2.gz LPGRGCBYEWGKCY-ZFWWWQNUSA-N 1 2 331.464 3.589 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2C)ccc1SC ZINC000058527997 1019999236 /nfs/dbraw/zinc/99/92/36/1019999236.db2.gz TVLFZQHNWUKPQP-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2C)ccc1SC ZINC000058527997 1019999240 /nfs/dbraw/zinc/99/92/40/1019999240.db2.gz TVLFZQHNWUKPQP-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc[nH]c1C1CCC1 ZINC000345194820 1020018409 /nfs/dbraw/zinc/01/84/09/1020018409.db2.gz AZTGJWIKKFXZID-UHFFFAOYSA-N 1 2 338.386 3.537 20 0 EHADLO Cc1ccc(C2(CNC(=O)CCCn3cc[nH+]c3)CCC2)cc1C ZINC000684064498 1020043169 /nfs/dbraw/zinc/04/31/69/1020043169.db2.gz NMTVCVAYLWQCHW-UHFFFAOYSA-N 1 2 325.456 3.518 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000048123015 1020091697 /nfs/dbraw/zinc/09/16/97/1020091697.db2.gz ZULLHSRVSBWNEL-UHFFFAOYSA-N 1 2 342.443 3.801 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000345279204 1020108778 /nfs/dbraw/zinc/10/87/78/1020108778.db2.gz NKUSVNAXVLEPSK-AWEZNQCLSA-N 1 2 343.496 3.863 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000684091777 1020122531 /nfs/dbraw/zinc/12/25/31/1020122531.db2.gz IXIIJVAUJGPKET-LJQANCHMSA-N 1 2 347.455 3.609 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000684091777 1020122540 /nfs/dbraw/zinc/12/25/40/1020122540.db2.gz IXIIJVAUJGPKET-LJQANCHMSA-N 1 2 347.455 3.609 20 0 EHADLO Cc1nc(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc[nH+]1 ZINC000280169967 1020150198 /nfs/dbraw/zinc/15/01/98/1020150198.db2.gz HDMFVXHDDDZPSO-GFCCVEGCSA-N 1 2 331.725 3.603 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccsc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528829139 1032879572 /nfs/dbraw/zinc/87/95/72/1032879572.db2.gz POWREUCJFISEAY-JQWIXIFHSA-N 1 2 343.374 3.687 20 0 EHADLO Brc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc2c1OCO2 ZINC000513690293 1020171136 /nfs/dbraw/zinc/17/11/36/1020171136.db2.gz IDGNTROAGFXBBV-AWEZNQCLSA-N 1 2 349.228 3.843 20 0 EHADLO Brc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc2c1OCO2 ZINC000513690293 1020171141 /nfs/dbraw/zinc/17/11/41/1020171141.db2.gz IDGNTROAGFXBBV-AWEZNQCLSA-N 1 2 349.228 3.843 20 0 EHADLO OC[C@@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000280212281 1020183072 /nfs/dbraw/zinc/18/30/72/1020183072.db2.gz ISZDZHOSNVQCFO-LLVKDONJSA-N 1 2 336.766 3.639 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000292020133 1020199560 /nfs/dbraw/zinc/19/95/60/1020199560.db2.gz PBVOQODDVWDOPT-KRWDZBQOSA-N 1 2 346.862 3.804 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000528832242 1032883212 /nfs/dbraw/zinc/88/32/12/1032883212.db2.gz UVJDQHXIGNEJDA-SOUVJXGZSA-N 1 2 341.430 3.628 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)[nH]c1C ZINC000602434874 1032885751 /nfs/dbraw/zinc/88/57/51/1032885751.db2.gz GAYDDNWTJQYRDB-LBPRGKRZSA-N 1 2 343.452 3.912 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)[nH]c1C ZINC000602434874 1032885772 /nfs/dbraw/zinc/88/57/72/1032885772.db2.gz GAYDDNWTJQYRDB-LBPRGKRZSA-N 1 2 343.452 3.912 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345427256 1020241536 /nfs/dbraw/zinc/24/15/36/1020241536.db2.gz XSLOILDZEAFZHS-PXNSSMCTSA-N 1 2 329.488 3.608 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528834652 1032886875 /nfs/dbraw/zinc/88/68/75/1032886875.db2.gz UMCMDTMZLFEXMK-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528834652 1032886914 /nfs/dbraw/zinc/88/69/14/1032886914.db2.gz UMCMDTMZLFEXMK-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345444550 1020257587 /nfs/dbraw/zinc/25/75/87/1020257587.db2.gz INUMEVJTWKSSJC-QGZVFWFLSA-N 1 2 329.488 3.752 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)sc2C1 ZINC001143385812 1020282428 /nfs/dbraw/zinc/28/24/28/1020282428.db2.gz UZMOYSUZOOEGID-TZMCWYRMSA-N 1 2 335.517 3.859 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)sc2C1 ZINC001143385812 1020282433 /nfs/dbraw/zinc/28/24/33/1020282433.db2.gz UZMOYSUZOOEGID-TZMCWYRMSA-N 1 2 335.517 3.859 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC000510362634 1020299979 /nfs/dbraw/zinc/29/99/79/1020299979.db2.gz OOIRTVMOLBDRLN-IXDOHACOSA-N 1 2 329.488 3.629 20 0 EHADLO Cc1cccc(C)c1CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000580959357 1020309283 /nfs/dbraw/zinc/30/92/83/1020309283.db2.gz CGHNSKDEDVCLOR-IYARVYRRSA-N 1 2 337.467 3.780 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000280397557 1020360261 /nfs/dbraw/zinc/36/02/61/1020360261.db2.gz AFADIWOAUCWLMQ-UHFFFAOYSA-N 1 2 343.320 3.558 20 0 EHADLO CCOCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000093312611 1032896003 /nfs/dbraw/zinc/89/60/03/1032896003.db2.gz OELLHFCTPVPMIY-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO CCOCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000093312611 1032896020 /nfs/dbraw/zinc/89/60/20/1032896020.db2.gz OELLHFCTPVPMIY-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC001167444660 1020390640 /nfs/dbraw/zinc/39/06/40/1020390640.db2.gz KDNJWDDRGPAIIG-CHWSQXEVSA-N 1 2 341.798 3.675 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1[nH]c2ccc(F)cc2c1Cl ZINC000345640163 1020408934 /nfs/dbraw/zinc/40/89/34/1020408934.db2.gz SEJVHAHQDCFGLP-UHFFFAOYSA-N 1 2 346.793 3.587 20 0 EHADLO Cc1nc2cc(CNc3cc(C)[nH+]c(C4CC4)n3)ccc2n1C1CC1 ZINC000581143765 1020481881 /nfs/dbraw/zinc/48/18/81/1020481881.db2.gz ZBEZDSZVPLVMDF-UHFFFAOYSA-N 1 2 333.439 3.689 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(C)c1 ZINC000048273652 1020493843 /nfs/dbraw/zinc/49/38/43/1020493843.db2.gz QNYKCGSVTVQIMW-UHFFFAOYSA-N 1 2 325.456 3.856 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(C)c1 ZINC000048273652 1020493849 /nfs/dbraw/zinc/49/38/49/1020493849.db2.gz QNYKCGSVTVQIMW-UHFFFAOYSA-N 1 2 325.456 3.856 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@@H](OCC(C)C)C3)o2)cc1C ZINC000345858127 1020562138 /nfs/dbraw/zinc/56/21/38/1020562138.db2.gz CFHGWEOTWVCSRM-CQSZACIVSA-N 1 2 349.500 3.916 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CC[C@@H](OCC(C)C)C3)o2)cc1C ZINC000345858127 1020562148 /nfs/dbraw/zinc/56/21/48/1020562148.db2.gz CFHGWEOTWVCSRM-CQSZACIVSA-N 1 2 349.500 3.916 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CCO2)ccc1F ZINC000656443597 1020580627 /nfs/dbraw/zinc/58/06/27/1020580627.db2.gz LRXXUVMYHBIKQF-FQEVSTJZSA-N 1 2 326.415 3.591 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CCO2)ccc1F ZINC000656443597 1020580637 /nfs/dbraw/zinc/58/06/37/1020580637.db2.gz LRXXUVMYHBIKQF-FQEVSTJZSA-N 1 2 326.415 3.591 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000280703219 1020593015 /nfs/dbraw/zinc/59/30/15/1020593015.db2.gz AQKVJSWJSNFCJV-KRWDZBQOSA-N 1 2 336.395 3.712 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)NC1CCCCCC1 ZINC000026877713 1020664853 /nfs/dbraw/zinc/66/48/53/1020664853.db2.gz WFADVPBQYFXJRK-NRFANRHFSA-N 1 2 337.467 3.600 20 0 EHADLO C[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000152929530 1020667743 /nfs/dbraw/zinc/66/77/43/1020667743.db2.gz MCWDCZGYLMOUSV-JTQLQIEISA-N 1 2 327.215 3.648 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(COC2CCCC2)cc1)n1cc[nH+]c1 ZINC000581313890 1020668152 /nfs/dbraw/zinc/66/81/52/1020668152.db2.gz VDQQDIYCMJCGCD-OAHLLOKOSA-N 1 2 327.428 3.932 20 0 EHADLO COc1ccccc1CN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340962644 1020687896 /nfs/dbraw/zinc/68/78/96/1020687896.db2.gz MDXHIBCGSGCLHB-GOSISDBHSA-N 1 2 349.434 3.599 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000292415234 1020697587 /nfs/dbraw/zinc/69/75/87/1020697587.db2.gz SYEVCCVOIHTRGI-GOSISDBHSA-N 1 2 340.471 3.507 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2[nH+]1 ZINC000340975131 1020722491 /nfs/dbraw/zinc/72/24/91/1020722491.db2.gz QAHZRDOSTDCUDG-UHFFFAOYSA-N 1 2 349.419 3.571 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)n1 ZINC000684209446 1020751022 /nfs/dbraw/zinc/75/10/22/1020751022.db2.gz BKHLPVYQKSJJCE-WCQYABFASA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)n1 ZINC000684209446 1020751032 /nfs/dbraw/zinc/75/10/32/1020751032.db2.gz BKHLPVYQKSJJCE-WCQYABFASA-N 1 2 325.334 3.818 20 0 EHADLO Cc1c[nH+]c(CNc2ccnn2Cc2ccc(C(F)(F)F)cc2)n1C ZINC000341004054 1020820903 /nfs/dbraw/zinc/82/09/03/1020820903.db2.gz ABWQLKOPAJGCGH-UHFFFAOYSA-N 1 2 349.360 3.604 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694760 1020847504 /nfs/dbraw/zinc/84/75/04/1020847504.db2.gz IROBJGRNTZNSQF-GUYCJALGSA-N 1 2 347.256 3.979 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694760 1020847511 /nfs/dbraw/zinc/84/75/11/1020847511.db2.gz IROBJGRNTZNSQF-GUYCJALGSA-N 1 2 347.256 3.979 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)CCS2 ZINC000276202810 1020894146 /nfs/dbraw/zinc/89/41/46/1020894146.db2.gz YXZPRWCKORYYAC-FZMZJTMJSA-N 1 2 332.473 3.824 20 0 EHADLO COc1c(C)cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1Cl ZINC000834882605 1021018180 /nfs/dbraw/zinc/01/81/80/1021018180.db2.gz MMGMEGQBJKZQOG-SNVBAGLBSA-N 1 2 328.243 3.895 20 0 EHADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC001204562796 1021072026 /nfs/dbraw/zinc/07/20/26/1021072026.db2.gz RCIWZPLZKQGEQH-KOLCDFICSA-N 1 2 328.161 3.596 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC001204562796 1021072032 /nfs/dbraw/zinc/07/20/32/1021072032.db2.gz RCIWZPLZKQGEQH-KOLCDFICSA-N 1 2 328.161 3.596 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccc(OC)cc3)o2)cc1 ZINC000341225297 1021128334 /nfs/dbraw/zinc/12/83/34/1021128334.db2.gz DDWQFHJNETUNCH-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO CSc1ccsc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341226811 1021129408 /nfs/dbraw/zinc/12/94/08/1021129408.db2.gz AARPHTQNNFRATR-UHFFFAOYSA-N 1 2 349.525 3.999 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341240834 1021155219 /nfs/dbraw/zinc/15/52/19/1021155219.db2.gz NIBJYIHFWMYKEQ-UHFFFAOYSA-N 1 2 331.847 3.869 20 0 EHADLO Cc1cc(N2CCN(c3cncc4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC000439131177 1021160631 /nfs/dbraw/zinc/16/06/31/1021160631.db2.gz GZVJOIQTRRGEOY-UHFFFAOYSA-N 1 2 345.450 3.537 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000602529198 1032960924 /nfs/dbraw/zinc/96/09/24/1032960924.db2.gz FOTMCTSRQGPLEV-HNNXBMFYSA-N 1 2 337.441 3.631 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc3c2OC(C)(C)C3)nn1 ZINC000566077551 1021218684 /nfs/dbraw/zinc/21/86/84/1021218684.db2.gz AIRAAIRDLOXAQK-UHFFFAOYSA-N 1 2 328.460 3.597 20 0 EHADLO Cc1ccncc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000341261019 1021224298 /nfs/dbraw/zinc/22/42/98/1021224298.db2.gz ABGPKHWFALDYSD-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO COc1ccccc1-c1nn(C[NH+]2CCCCCCC2)c(=S)n1C ZINC000007075001 1021233090 /nfs/dbraw/zinc/23/30/90/1021233090.db2.gz DAXZPEQFUKHSLR-UHFFFAOYSA-N 1 2 346.500 3.850 20 0 EHADLO COC[C@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000638600047 1021245652 /nfs/dbraw/zinc/24/56/52/1021245652.db2.gz RWLAZODRLWTHMI-FQEVSTJZSA-N 1 2 348.450 3.622 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000426312922 1021246494 /nfs/dbraw/zinc/24/64/94/1021246494.db2.gz UUIJZHINGXPMRX-INIZCTEOSA-N 1 2 349.434 3.980 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867829 1021252937 /nfs/dbraw/zinc/25/29/37/1021252937.db2.gz IVORPJFWRCXXMX-CYBMUJFWSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867829 1021252946 /nfs/dbraw/zinc/25/29/46/1021252946.db2.gz IVORPJFWRCXXMX-CYBMUJFWSA-N 1 2 337.427 3.605 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001141554542 1021294776 /nfs/dbraw/zinc/29/47/76/1021294776.db2.gz AQDILOYLMFXTTB-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001141554542 1021294788 /nfs/dbraw/zinc/29/47/88/1021294788.db2.gz AQDILOYLMFXTTB-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO CCCn1nc(C)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1C ZINC000505892179 1021317795 /nfs/dbraw/zinc/31/77/95/1021317795.db2.gz XXDPOPLJJPDERQ-UHFFFAOYSA-N 1 2 346.906 3.886 20 0 EHADLO CCc1nn(C)cc1CNc1ccc(Nc2cccc(OC)c2)c[nH+]1 ZINC000656780929 1021321881 /nfs/dbraw/zinc/32/18/81/1021321881.db2.gz NSMPRIKRBGIPBZ-UHFFFAOYSA-N 1 2 337.427 3.742 20 0 EHADLO Cc1ccc2nc(CNc3ccccc3OCCn3cc[nH+]c3)cn2c1 ZINC000341287666 1021336438 /nfs/dbraw/zinc/33/64/38/1021336438.db2.gz PQBDXCJXELELQA-UHFFFAOYSA-N 1 2 347.422 3.530 20 0 EHADLO C[C@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000607038799 1032971940 /nfs/dbraw/zinc/97/19/40/1032971940.db2.gz PKIGMZUZSRBOBV-NEPJUHHUSA-N 1 2 340.254 3.746 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ncc(-c3cccs3)o1)C2 ZINC000664873677 1021379882 /nfs/dbraw/zinc/37/98/82/1021379882.db2.gz JUQSWPVEMOYWDN-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ncc(-c3cccs3)o1)C2 ZINC000664873677 1021379897 /nfs/dbraw/zinc/37/98/97/1021379897.db2.gz JUQSWPVEMOYWDN-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507597507 1021388185 /nfs/dbraw/zinc/38/81/85/1021388185.db2.gz NHEHYYDKCRESBD-GVDBMIGSSA-N 1 2 346.519 3.933 20 0 EHADLO Fc1cc(-c2ccccc2)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000507626026 1021408142 /nfs/dbraw/zinc/40/81/42/1021408142.db2.gz RLEXHYQUUDFZCA-UHFFFAOYSA-N 1 2 348.425 3.605 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000505907682 1021412946 /nfs/dbraw/zinc/41/29/46/1021412946.db2.gz PMUKOIMXYKSUIS-UHFFFAOYSA-N 1 2 333.476 3.902 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)c3cscn3)C2=O)c(C)c1 ZINC000276472316 1021433687 /nfs/dbraw/zinc/43/36/87/1021433687.db2.gz BMPFJXTWEGJXPT-HUUCEWRRSA-N 1 2 329.469 3.524 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507664303 1021434369 /nfs/dbraw/zinc/43/43/69/1021434369.db2.gz FQDGLDCZGWJCQR-HXUWFJFHSA-N 1 2 333.435 3.520 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507664303 1021434376 /nfs/dbraw/zinc/43/43/76/1021434376.db2.gz FQDGLDCZGWJCQR-HXUWFJFHSA-N 1 2 333.435 3.520 20 0 EHADLO Cc1n[nH]cc1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425673975 1021441304 /nfs/dbraw/zinc/44/13/04/1021441304.db2.gz OCOMQNSMVCGADK-UHFFFAOYSA-N 1 2 336.399 3.562 20 0 EHADLO O=C(NCCCCF)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425680706 1021467415 /nfs/dbraw/zinc/46/74/15/1021467415.db2.gz ZPRIYXMBJPIHPB-UHFFFAOYSA-N 1 2 330.407 3.758 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000656858618 1021493319 /nfs/dbraw/zinc/49/33/19/1021493319.db2.gz MATCOJSSDBSRCC-ZDUSSCGKSA-N 1 2 345.830 3.561 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000518752395 1021498010 /nfs/dbraw/zinc/49/80/10/1021498010.db2.gz WAAUJDYFQFRZRB-FUHWJXTLSA-N 1 2 329.488 3.905 20 0 EHADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000506601153 1021503026 /nfs/dbraw/zinc/50/30/26/1021503026.db2.gz CZXJFURMEAFKQA-IBGZPJMESA-N 1 2 346.515 3.561 20 0 EHADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000506601153 1021503041 /nfs/dbraw/zinc/50/30/41/1021503041.db2.gz CZXJFURMEAFKQA-IBGZPJMESA-N 1 2 346.515 3.561 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC2(C)C)c(Br)c1 ZINC000077382630 1123553446 /nfs/dbraw/zinc/55/34/46/1123553446.db2.gz HFRYSKIIYDJGCD-UHFFFAOYSA-N 1 2 325.250 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC2(C)C)c(Br)c1 ZINC000077382630 1123553451 /nfs/dbraw/zinc/55/34/51/1123553451.db2.gz HFRYSKIIYDJGCD-UHFFFAOYSA-N 1 2 325.250 3.570 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000506610467 1021537434 /nfs/dbraw/zinc/53/74/34/1021537434.db2.gz ICTRMROLUVEPRW-UHFFFAOYSA-N 1 2 333.426 3.988 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000506610467 1021537450 /nfs/dbraw/zinc/53/74/50/1021537450.db2.gz ICTRMROLUVEPRW-UHFFFAOYSA-N 1 2 333.426 3.988 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000509608052 1021551639 /nfs/dbraw/zinc/55/16/39/1021551639.db2.gz JRMYXPLEALQLDK-KBAYOESNSA-N 1 2 333.439 3.526 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000078657902 1021586625 /nfs/dbraw/zinc/58/66/25/1021586625.db2.gz NVDAUPDHOFRNQY-UHFFFAOYSA-N 1 2 331.362 3.765 20 0 EHADLO FCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000078927048 1021621398 /nfs/dbraw/zinc/62/13/98/1021621398.db2.gz KWAONUVZUVZSNO-UHFFFAOYSA-N 1 2 340.855 3.578 20 0 EHADLO CC(C)(C)OCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000350045663 1032993297 /nfs/dbraw/zinc/99/32/97/1032993297.db2.gz GYDHUQSBRUOAIS-UHFFFAOYSA-N 1 2 326.400 3.670 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cc(OCc3ccccc3)ncn1)CCC2 ZINC000518930600 1021696907 /nfs/dbraw/zinc/69/69/07/1021696907.db2.gz ZDPGRPUTTUWHQA-KRWDZBQOSA-N 1 2 349.438 3.550 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000891468546 1021702870 /nfs/dbraw/zinc/70/28/70/1021702870.db2.gz BDILJPQTXNOYKH-UHFFFAOYSA-N 1 2 330.375 3.889 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000891468546 1021702885 /nfs/dbraw/zinc/70/28/85/1021702885.db2.gz BDILJPQTXNOYKH-UHFFFAOYSA-N 1 2 330.375 3.889 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC000516808440 1021757253 /nfs/dbraw/zinc/75/72/53/1021757253.db2.gz MKPSYFBDLSCZLE-OAHLLOKOSA-N 1 2 335.513 3.742 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC000516808440 1021757268 /nfs/dbraw/zinc/75/72/68/1021757268.db2.gz MKPSYFBDLSCZLE-OAHLLOKOSA-N 1 2 335.513 3.742 20 0 EHADLO COc1cccc(NC(=O)C[N@H+](Cc2ccccc2F)C(C)C)c1 ZINC000519908099 1021760707 /nfs/dbraw/zinc/76/07/07/1021760707.db2.gz HJSJTMJYZKMVFI-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)c1 ZINC000519908099 1021760721 /nfs/dbraw/zinc/76/07/21/1021760721.db2.gz HJSJTMJYZKMVFI-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(F)c1 ZINC000581814501 1021795557 /nfs/dbraw/zinc/79/55/57/1021795557.db2.gz ZRZQRIPQLUCKLE-OAHLLOKOSA-N 1 2 337.332 3.799 20 0 EHADLO C[C@H](CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000188103437 1021810836 /nfs/dbraw/zinc/81/08/36/1021810836.db2.gz WPXCXCHMVQIGKM-OAHLLOKOSA-N 1 2 347.890 3.948 20 0 EHADLO COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)c1 ZINC000366668019 1021828689 /nfs/dbraw/zinc/82/86/89/1021828689.db2.gz GIRXNHZUIVIMIG-LJQANCHMSA-N 1 2 334.423 3.817 20 0 EHADLO COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3ccncc3)n2)c1 ZINC000366668019 1021828706 /nfs/dbraw/zinc/82/87/06/1021828706.db2.gz GIRXNHZUIVIMIG-LJQANCHMSA-N 1 2 334.423 3.817 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000593698082 1033011004 /nfs/dbraw/zinc/01/10/04/1033011004.db2.gz OTSPCHKTFPZWKB-CQSZACIVSA-N 1 2 333.432 3.530 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000593698082 1033011021 /nfs/dbraw/zinc/01/10/21/1033011021.db2.gz OTSPCHKTFPZWKB-CQSZACIVSA-N 1 2 333.432 3.530 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465080 1021857212 /nfs/dbraw/zinc/85/72/12/1021857212.db2.gz QCNFTSSCNBETTL-HOCLYGCPSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465080 1021857221 /nfs/dbraw/zinc/85/72/21/1021857221.db2.gz QCNFTSSCNBETTL-HOCLYGCPSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000440886652 1021860817 /nfs/dbraw/zinc/86/08/17/1021860817.db2.gz KHJWELPGGSEERH-ZIAGYGMSSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000440886652 1021860831 /nfs/dbraw/zinc/86/08/31/1021860831.db2.gz KHJWELPGGSEERH-ZIAGYGMSSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000520043425 1021897832 /nfs/dbraw/zinc/89/78/32/1021897832.db2.gz BANVZUGHSZRWSZ-CQSZACIVSA-N 1 2 346.833 3.998 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000506743082 1021905251 /nfs/dbraw/zinc/90/52/51/1021905251.db2.gz KAJXITNRJWMAAW-UHFFFAOYSA-N 1 2 332.419 3.741 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000506743082 1021905255 /nfs/dbraw/zinc/90/52/55/1021905255.db2.gz KAJXITNRJWMAAW-UHFFFAOYSA-N 1 2 332.419 3.741 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1F ZINC000437533092 1021927786 /nfs/dbraw/zinc/92/77/86/1021927786.db2.gz DZVCCNJBIAVECR-LSDHHAIUSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1F ZINC000437533092 1021927792 /nfs/dbraw/zinc/92/77/92/1021927792.db2.gz DZVCCNJBIAVECR-LSDHHAIUSA-N 1 2 342.867 3.778 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000520174972 1021988027 /nfs/dbraw/zinc/98/80/27/1021988027.db2.gz NMFGUJOWWGYWJD-QGZVFWFLSA-N 1 2 340.467 3.901 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000520174972 1021988037 /nfs/dbraw/zinc/98/80/37/1021988037.db2.gz NMFGUJOWWGYWJD-QGZVFWFLSA-N 1 2 340.467 3.901 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1CC)C2 ZINC000441107105 1021991648 /nfs/dbraw/zinc/99/16/48/1021991648.db2.gz SRUJODHDUCVWPD-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1CC)C2 ZINC000441107105 1021991655 /nfs/dbraw/zinc/99/16/55/1021991655.db2.gz SRUJODHDUCVWPD-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c(OCCC)c1 ZINC000276616413 1022006512 /nfs/dbraw/zinc/00/65/12/1022006512.db2.gz LZEFUYIIDUAZDE-GJZGRUSLSA-N 1 2 346.475 3.805 20 0 EHADLO CCOc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)ccc1OC(F)F ZINC000341505012 1022043814 /nfs/dbraw/zinc/04/38/14/1022043814.db2.gz SCJGVJAFTXYEGX-UHFFFAOYSA-N 1 2 349.381 3.697 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1F ZINC000341526168 1022069888 /nfs/dbraw/zinc/06/98/88/1022069888.db2.gz PJTWCHVFCMXPOP-KRWDZBQOSA-N 1 2 345.805 3.692 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c(C)c1 ZINC000520302760 1022125948 /nfs/dbraw/zinc/12/59/48/1022125948.db2.gz KHNZFQYZVXGVOE-UHFFFAOYSA-N 1 2 349.434 3.853 20 0 EHADLO CCCCCOc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2C ZINC000506127028 1022131357 /nfs/dbraw/zinc/13/13/57/1022131357.db2.gz NPIMPNFQDXWZEF-UHFFFAOYSA-N 1 2 339.443 3.853 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000437801130 1022137661 /nfs/dbraw/zinc/13/76/61/1022137661.db2.gz OLYHQWYBXVMQEQ-UHFFFAOYSA-N 1 2 343.427 3.844 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000437801130 1022137669 /nfs/dbraw/zinc/13/76/69/1022137669.db2.gz OLYHQWYBXVMQEQ-UHFFFAOYSA-N 1 2 343.427 3.844 20 0 EHADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](COC)c1ccc(C)o1)CCO2 ZINC000156414012 1022147960 /nfs/dbraw/zinc/14/79/60/1022147960.db2.gz XGXOWWWGIKWQHZ-IRXDYDNUSA-N 1 2 331.412 3.788 20 0 EHADLO CCS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000341533624 1022152511 /nfs/dbraw/zinc/15/25/11/1022152511.db2.gz UEDASGJKWINSPV-UHFFFAOYSA-N 1 2 345.468 3.609 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000548300047 1022155016 /nfs/dbraw/zinc/15/50/16/1022155016.db2.gz QYILTQJYAKERPV-UHFFFAOYSA-N 1 2 342.773 3.587 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3C3CCC3)sc2C1 ZINC000891635022 1022172576 /nfs/dbraw/zinc/17/25/76/1022172576.db2.gz CHAGEILCWZXPGK-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3C3CCC3)sc2C1 ZINC000891635022 1022172588 /nfs/dbraw/zinc/17/25/88/1022172588.db2.gz CHAGEILCWZXPGK-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000112430198 1022249089 /nfs/dbraw/zinc/24/90/89/1022249089.db2.gz PJOYGYFFTKMWRL-SFHVURJKSA-N 1 2 328.460 3.620 20 0 EHADLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1cc2c(cccc2O)s1 ZINC000894928890 1022263217 /nfs/dbraw/zinc/26/32/17/1022263217.db2.gz MPOVBFSVGKSVEM-UHFFFAOYSA-N 1 2 348.493 3.923 20 0 EHADLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1cc2c(cccc2O)s1 ZINC000894928890 1022263219 /nfs/dbraw/zinc/26/32/19/1022263219.db2.gz MPOVBFSVGKSVEM-UHFFFAOYSA-N 1 2 348.493 3.923 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)s1 ZINC000894443073 1022288257 /nfs/dbraw/zinc/28/82/57/1022288257.db2.gz CJIZFLMNBVCPMG-WFASDCNBSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)s1 ZINC000894443073 1022288264 /nfs/dbraw/zinc/28/82/64/1022288264.db2.gz CJIZFLMNBVCPMG-WFASDCNBSA-N 1 2 346.452 3.521 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1c(Cl)nc(Cl)nc1Cl ZINC001167991103 1022299383 /nfs/dbraw/zinc/29/93/83/1022299383.db2.gz DZKHDGGATNZBBG-UHFFFAOYSA-N 1 2 334.569 3.607 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC(C(C)C)CC3)n2c(C)c1C ZINC000172955639 1033046821 /nfs/dbraw/zinc/04/68/21/1033046821.db2.gz RBRQKIZFOKCPLH-UHFFFAOYSA-N 1 2 333.505 3.511 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC000894466908 1022344476 /nfs/dbraw/zinc/34/44/76/1022344476.db2.gz OWHUSLDNDXRMOW-GQCTYLIASA-N 1 2 330.369 3.797 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C/C=C/c1cccc(F)c1 ZINC000894466908 1022344492 /nfs/dbraw/zinc/34/44/92/1022344492.db2.gz OWHUSLDNDXRMOW-GQCTYLIASA-N 1 2 330.369 3.797 20 0 EHADLO CSc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000894994356 1022351786 /nfs/dbraw/zinc/35/17/86/1022351786.db2.gz OMINXVDCBBISPG-SFHVURJKSA-N 1 2 329.421 3.611 20 0 EHADLO CSc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000894994356 1022351795 /nfs/dbraw/zinc/35/17/95/1022351795.db2.gz OMINXVDCBBISPG-SFHVURJKSA-N 1 2 329.421 3.611 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550079807 1022361303 /nfs/dbraw/zinc/36/13/03/1022361303.db2.gz QDGOPODSKYMWEB-MRXNPFEDSA-N 1 2 339.863 3.835 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550079807 1022361317 /nfs/dbraw/zinc/36/13/17/1022361317.db2.gz QDGOPODSKYMWEB-MRXNPFEDSA-N 1 2 339.863 3.835 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1F ZINC000302743877 1022370110 /nfs/dbraw/zinc/37/01/10/1022370110.db2.gz NZZPHJQLMLZMJS-HZPDHXFCSA-N 1 2 328.431 3.566 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1F ZINC000302743877 1022370124 /nfs/dbraw/zinc/37/01/24/1022370124.db2.gz NZZPHJQLMLZMJS-HZPDHXFCSA-N 1 2 328.431 3.566 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCCCCC1 ZINC000458883034 1022393491 /nfs/dbraw/zinc/39/34/91/1022393491.db2.gz MKKVOYBBDBLWEO-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(Cc2ccccc2F)CC1 ZINC000188448515 1022402942 /nfs/dbraw/zinc/40/29/42/1022402942.db2.gz BOJMXCOXKKLARE-UHFFFAOYSA-N 1 2 341.430 3.552 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(C(F)(F)F)o1 ZINC000471823104 1022431266 /nfs/dbraw/zinc/43/12/66/1022431266.db2.gz CEQSJWAQDJIXIC-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO C[C@@H]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458891756 1022438388 /nfs/dbraw/zinc/43/83/88/1022438388.db2.gz VPCYDAJXINSKRY-ZIAGYGMSSA-N 1 2 346.862 3.856 20 0 EHADLO COc1cccc(CCC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000292110928 1022455345 /nfs/dbraw/zinc/45/53/45/1022455345.db2.gz KELJMTMRHABGPX-SFHVURJKSA-N 1 2 328.460 3.657 20 0 EHADLO Fc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1Br ZINC000349561948 1022461206 /nfs/dbraw/zinc/46/12/06/1022461206.db2.gz CLMTUPYHXSVRJC-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](CCC(=O)c1ccccc1)CC2 ZINC000550112299 1022475791 /nfs/dbraw/zinc/47/57/91/1022475791.db2.gz FDICVUAZSBVWDH-UHFFFAOYSA-N 1 2 329.827 3.980 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](CCC(=O)c1ccccc1)CC2 ZINC000550112299 1022475800 /nfs/dbraw/zinc/47/58/00/1022475800.db2.gz FDICVUAZSBVWDH-UHFFFAOYSA-N 1 2 329.827 3.980 20 0 EHADLO CC1CCC(N(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000341597691 1022501009 /nfs/dbraw/zinc/50/10/09/1022501009.db2.gz YHZDMFMWHTUJLW-VJFUWPCTSA-N 1 2 325.456 3.969 20 0 EHADLO Cc1cc(N)nc(SCc2cc(Br)ccc2F)[nH+]1 ZINC000049372476 1022507150 /nfs/dbraw/zinc/50/71/50/1022507150.db2.gz PJNLEVYQNUDIFY-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)CC(F)(F)F)o1 ZINC000303806603 1022511186 /nfs/dbraw/zinc/51/11/86/1022511186.db2.gz KLAPVJYVNJPLNQ-CQSZACIVSA-N 1 2 346.393 3.780 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)CC(F)(F)F)o1 ZINC000303806603 1022511193 /nfs/dbraw/zinc/51/11/93/1022511193.db2.gz KLAPVJYVNJPLNQ-CQSZACIVSA-N 1 2 346.393 3.780 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639268 1022517109 /nfs/dbraw/zinc/51/71/09/1022517109.db2.gz HCHJVRWXTPPVFY-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639268 1022517124 /nfs/dbraw/zinc/51/71/24/1022517124.db2.gz HCHJVRWXTPPVFY-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2ccccc2F)c1C ZINC000051334695 1022549535 /nfs/dbraw/zinc/54/95/35/1022549535.db2.gz AYCRFOXWYRBZOR-CQSZACIVSA-N 1 2 345.418 3.749 20 0 EHADLO Fc1c(Br)cccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449703177 1033066178 /nfs/dbraw/zinc/06/61/78/1033066178.db2.gz FROULSGTSUEZEN-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833613 1022589451 /nfs/dbraw/zinc/58/94/51/1022589451.db2.gz QECNAFQZVSFQSZ-SCLBCKFNSA-N 1 2 334.423 3.612 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833613 1022589461 /nfs/dbraw/zinc/58/94/61/1022589461.db2.gz QECNAFQZVSFQSZ-SCLBCKFNSA-N 1 2 334.423 3.612 20 0 EHADLO COC(=O)c1c[nH]c(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1C1CC1 ZINC000894584745 1022591107 /nfs/dbraw/zinc/59/11/07/1022591107.db2.gz LTXBBPPOSLGXPO-GOSISDBHSA-N 1 2 339.439 3.657 20 0 EHADLO COC(=O)c1c[nH]c(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c1C1CC1 ZINC000894584745 1022591111 /nfs/dbraw/zinc/59/11/11/1022591111.db2.gz LTXBBPPOSLGXPO-GOSISDBHSA-N 1 2 339.439 3.657 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000430707641 1022611161 /nfs/dbraw/zinc/61/11/61/1022611161.db2.gz YHVQTGSKFDNINQ-YSSFQJQWSA-N 1 2 331.419 3.538 20 0 EHADLO CC(C)c1ccccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000517742622 1022613683 /nfs/dbraw/zinc/61/36/83/1022613683.db2.gz SKQKIBSKUPCEPB-UHFFFAOYSA-N 1 2 345.468 3.606 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC3(C)C)n2)O1 ZINC000665003459 1022634616 /nfs/dbraw/zinc/63/46/16/1022634616.db2.gz AUFKLRXBFGFUNZ-FVQBIDKESA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC3(C)C)n2)O1 ZINC000665003459 1022634624 /nfs/dbraw/zinc/63/46/24/1022634624.db2.gz AUFKLRXBFGFUNZ-FVQBIDKESA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC34CCC4)n2)O1 ZINC000665009714 1022689181 /nfs/dbraw/zinc/68/91/81/1022689181.db2.gz RFBBDOXRHSOBOK-OIISXLGYSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC34CCC4)n2)O1 ZINC000665009714 1022689192 /nfs/dbraw/zinc/68/91/92/1022689192.db2.gz RFBBDOXRHSOBOK-OIISXLGYSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838537 1022711317 /nfs/dbraw/zinc/71/13/17/1022711317.db2.gz STPGKDSNIPUVQV-YJBOKZPZSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838537 1022711331 /nfs/dbraw/zinc/71/13/31/1022711331.db2.gz STPGKDSNIPUVQV-YJBOKZPZSA-N 1 2 329.488 3.644 20 0 EHADLO C(=C\c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)\c1cncs1 ZINC000345985708 1022719172 /nfs/dbraw/zinc/71/91/72/1022719172.db2.gz DWDDIFRJXRGOGQ-PLNGDYQASA-N 1 2 335.392 3.608 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000345985669 1022726392 /nfs/dbraw/zinc/72/63/92/1022726392.db2.gz SRROIHVKSGUJQR-AEFFLSMTSA-N 1 2 343.496 3.783 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CC2CCC2)C[C@H](C)O1 ZINC000111727700 1022727162 /nfs/dbraw/zinc/72/71/62/1022727162.db2.gz MRZHKMRWNNRHQY-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CC2CCC2)C[C@H](C)O1 ZINC000111727700 1022727174 /nfs/dbraw/zinc/72/71/74/1022727174.db2.gz MRZHKMRWNNRHQY-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO CC[C@@H](Nc1nc(C)[nH+]c(C)c1Br)c1nccs1 ZINC000322787464 1022742689 /nfs/dbraw/zinc/74/26/89/1022742689.db2.gz KXHAQJJMPQLRTK-SECBINFHSA-N 1 2 327.251 3.876 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925103598 1022754452 /nfs/dbraw/zinc/75/44/52/1022754452.db2.gz KYMVXFFGYMRETF-SWLSCSKDSA-N 1 2 336.867 3.915 20 0 EHADLO FC(F)(F)c1ccnc([C@H]2CC[N@H+](CC=C(Cl)Cl)C2)n1 ZINC000933712907 1022794521 /nfs/dbraw/zinc/79/45/21/1022794521.db2.gz BFPGFWCYXVAUBM-QMMMGPOBSA-N 1 2 326.149 3.604 20 0 EHADLO FC(F)(F)c1ccnc([C@H]2CC[N@@H+](CC=C(Cl)Cl)C2)n1 ZINC000933712907 1022794534 /nfs/dbraw/zinc/79/45/34/1022794534.db2.gz BFPGFWCYXVAUBM-QMMMGPOBSA-N 1 2 326.149 3.604 20 0 EHADLO Cc1ccc(Br)cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460331758 1033480779 /nfs/dbraw/zinc/48/07/79/1033480779.db2.gz QYTOEFWRXLTNKL-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC000458970187 1022907834 /nfs/dbraw/zinc/90/78/34/1022907834.db2.gz SCUJHRJRJJLONZ-JKSUJKDBSA-N 1 2 334.508 3.599 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000519577746 1022932269 /nfs/dbraw/zinc/93/22/69/1022932269.db2.gz YLFKZRJMGNGHAC-MAUKXSAKSA-N 1 2 343.471 3.534 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341674453 1022950024 /nfs/dbraw/zinc/95/00/24/1022950024.db2.gz IOJBUMSRTVTKQL-OAHLLOKOSA-N 1 2 342.870 3.745 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341674453 1022950035 /nfs/dbraw/zinc/95/00/35/1022950035.db2.gz IOJBUMSRTVTKQL-OAHLLOKOSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCN(C4CC4)c4c(C)cccc43)ccn12 ZINC000579371197 1023008362 /nfs/dbraw/zinc/00/83/62/1023008362.db2.gz IKIJCPBEHCFWJZ-UHFFFAOYSA-N 1 2 346.434 3.580 20 0 EHADLO CC[N@H+](CCc1nccs1)Cc1noc(-c2ccccc2C)n1 ZINC000159337396 1023029697 /nfs/dbraw/zinc/02/96/97/1023029697.db2.gz SOYCVIPGUFCCSR-UHFFFAOYSA-N 1 2 328.441 3.566 20 0 EHADLO CC[N@@H+](CCc1nccs1)Cc1noc(-c2ccccc2C)n1 ZINC000159337396 1023029709 /nfs/dbraw/zinc/02/97/09/1023029709.db2.gz SOYCVIPGUFCCSR-UHFFFAOYSA-N 1 2 328.441 3.566 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000536360606 1023029969 /nfs/dbraw/zinc/02/99/69/1023029969.db2.gz BZOWFWKZKCITPE-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000536360606 1023029978 /nfs/dbraw/zinc/02/99/78/1023029978.db2.gz BZOWFWKZKCITPE-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](CCCc2ccccc2)C1 ZINC000509552121 1023030446 /nfs/dbraw/zinc/03/04/46/1023030446.db2.gz IUPWQUWSOJSKSW-KRWDZBQOSA-N 1 2 335.455 3.603 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@@H]2CCc3ccccc3C2)no1)c1ccccc1 ZINC000685319111 1033101034 /nfs/dbraw/zinc/10/10/34/1033101034.db2.gz KQCAAJABDQBDJM-MOPGFXCFSA-N 1 2 333.435 3.993 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)CCC=C(C)C)c1C ZINC000458997859 1023053135 /nfs/dbraw/zinc/05/31/35/1023053135.db2.gz YESWSVPAKVMICB-HNNXBMFYSA-N 1 2 333.476 3.983 20 0 EHADLO Clc1cccc(CCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000294559052 1023059758 /nfs/dbraw/zinc/05/97/58/1023059758.db2.gz BIZZFRSNWZBPMJ-OAHLLOKOSA-N 1 2 332.860 3.831 20 0 EHADLO CC[C@@H](c1nn(C[N@H+](C)C[C@@H]2CCOC2)c(=S)o1)c1ccccc1 ZINC000176105228 1023064112 /nfs/dbraw/zinc/06/41/12/1023064112.db2.gz GCDNBIWORIPRGJ-GOEBONIOSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@@H](c1nn(C[N@@H+](C)C[C@@H]2CCOC2)c(=S)o1)c1ccccc1 ZINC000176105228 1023064125 /nfs/dbraw/zinc/06/41/25/1023064125.db2.gz GCDNBIWORIPRGJ-GOEBONIOSA-N 1 2 347.484 3.673 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)nn1 ZINC000449732174 1033103021 /nfs/dbraw/zinc/10/30/21/1033103021.db2.gz YXXPZEBSNGBEBJ-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO CCCCc1noc(C[N@H+](Cc2ccccc2)C[C@@](C)(O)CC)n1 ZINC000189742795 1023097040 /nfs/dbraw/zinc/09/70/40/1023097040.db2.gz ZLXQCCGTGJVRQX-IBGZPJMESA-N 1 2 331.460 3.575 20 0 EHADLO CCCCc1noc(C[N@@H+](Cc2ccccc2)C[C@@](C)(O)CC)n1 ZINC000189742795 1023097047 /nfs/dbraw/zinc/09/70/47/1023097047.db2.gz ZLXQCCGTGJVRQX-IBGZPJMESA-N 1 2 331.460 3.575 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075831915 1023119258 /nfs/dbraw/zinc/11/92/58/1023119258.db2.gz ROFAUZSYLVZBDN-OAHLLOKOSA-N 1 2 327.428 3.833 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831915 1023119266 /nfs/dbraw/zinc/11/92/66/1023119266.db2.gz ROFAUZSYLVZBDN-OAHLLOKOSA-N 1 2 327.428 3.833 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000189913607 1023131682 /nfs/dbraw/zinc/13/16/82/1023131682.db2.gz VQCHDMRNDDYGJS-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000189913607 1023131688 /nfs/dbraw/zinc/13/16/88/1023131688.db2.gz VQCHDMRNDDYGJS-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO COCc1nc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)cs1 ZINC000507140479 1023145915 /nfs/dbraw/zinc/14/59/15/1023145915.db2.gz DLCKAYCBNQEAAV-QGZVFWFLSA-N 1 2 332.469 3.808 20 0 EHADLO COCc1nc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)cs1 ZINC000507140479 1023145919 /nfs/dbraw/zinc/14/59/19/1023145919.db2.gz DLCKAYCBNQEAAV-QGZVFWFLSA-N 1 2 332.469 3.808 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCc2ccccc2)c(C)c1 ZINC000441481644 1023151542 /nfs/dbraw/zinc/15/15/42/1023151542.db2.gz OLRPLJAKMDOLPD-OAQYLSRUSA-N 1 2 347.462 3.990 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000427007501 1023156273 /nfs/dbraw/zinc/15/62/73/1023156273.db2.gz HOACYEJULAUEHD-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000427007501 1023156279 /nfs/dbraw/zinc/15/62/79/1023156279.db2.gz HOACYEJULAUEHD-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO Clc1cnc2oc(C[N@@H+]3CCc4nc[nH]c4C34CCC4)cc2c1 ZINC000895069494 1023178360 /nfs/dbraw/zinc/17/83/60/1023178360.db2.gz ZEQTZVNFDIMLOW-UHFFFAOYSA-N 1 2 328.803 3.642 20 0 EHADLO Clc1cnc2oc(C[N@H+]3CCc4nc[nH]c4C34CCC4)cc2c1 ZINC000895069494 1023178365 /nfs/dbraw/zinc/17/83/65/1023178365.db2.gz ZEQTZVNFDIMLOW-UHFFFAOYSA-N 1 2 328.803 3.642 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCSCC2)c(C)c1 ZINC000441488867 1023188432 /nfs/dbraw/zinc/18/84/32/1023188432.db2.gz IFVLKEDEUFMHMI-SFHVURJKSA-N 1 2 343.496 3.501 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1CC ZINC000341728254 1023200724 /nfs/dbraw/zinc/20/07/24/1023200724.db2.gz KDIMHAICZHUBNR-INIZCTEOSA-N 1 2 326.444 3.566 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000510836290 1023255503 /nfs/dbraw/zinc/25/55/03/1023255503.db2.gz KOSMCYAQUSEWBR-UHFFFAOYSA-N 1 2 337.398 3.682 20 0 EHADLO CN(C)C(=O)C[N@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1 ZINC000507345067 1023257580 /nfs/dbraw/zinc/25/75/80/1023257580.db2.gz FUHQEZGRNXIUPC-CKOAPEAFSA-N 1 2 334.463 3.803 20 0 EHADLO CN(C)C(=O)C[N@@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1 ZINC000507345067 1023257588 /nfs/dbraw/zinc/25/75/88/1023257588.db2.gz FUHQEZGRNXIUPC-CKOAPEAFSA-N 1 2 334.463 3.803 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@H]1C(F)(F)F ZINC000190182108 1023268543 /nfs/dbraw/zinc/26/85/43/1023268543.db2.gz WFQDAMILJYIVIX-CYBMUJFWSA-N 1 2 338.377 3.622 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(N)c3ccccc3n2)CC[C@H]1C(F)(F)F ZINC000190182108 1023268550 /nfs/dbraw/zinc/26/85/50/1023268550.db2.gz WFQDAMILJYIVIX-CYBMUJFWSA-N 1 2 338.377 3.622 20 0 EHADLO Cc1ccc(CCCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000520494007 1023296864 /nfs/dbraw/zinc/29/68/64/1023296864.db2.gz YEOGJHPGHBWRSL-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO C[C@H](O)C[C@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000133188834 1023298868 /nfs/dbraw/zinc/29/88/68/1023298868.db2.gz BNGLNNBWLQUHMT-NWDGAFQWSA-N 1 2 335.245 3.737 20 0 EHADLO C[C@@H](O)C[C@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000133189041 1023299716 /nfs/dbraw/zinc/29/97/16/1023299716.db2.gz BNGLNNBWLQUHMT-VXGBXAGGSA-N 1 2 335.245 3.737 20 0 EHADLO Clc1cc(C[NH2+]Cc2nc3ccccc3o2)cc2c1OCCCO2 ZINC000607392607 1033122257 /nfs/dbraw/zinc/12/22/57/1033122257.db2.gz CDZKRWYJLWDBHX-UHFFFAOYSA-N 1 2 344.798 3.932 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000602758019 1033128034 /nfs/dbraw/zinc/12/80/34/1033128034.db2.gz FCKDPVJQLKISLG-OAHLLOKOSA-N 1 2 334.416 3.796 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000602758019 1033128043 /nfs/dbraw/zinc/12/80/43/1033128043.db2.gz FCKDPVJQLKISLG-OAHLLOKOSA-N 1 2 334.416 3.796 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@H]1CCCc2cccnc21 ZINC000548488810 1023518209 /nfs/dbraw/zinc/51/82/09/1023518209.db2.gz LYYOROXVLJMXSJ-SFHVURJKSA-N 1 2 338.455 3.837 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000476338519 1033141543 /nfs/dbraw/zinc/14/15/43/1033141543.db2.gz YFKBHOJAKNPHRI-CQSZACIVSA-N 1 2 349.425 3.908 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)ccc2Cl)c(C)c[nH+]1 ZINC000535748915 1023605556 /nfs/dbraw/zinc/60/55/56/1023605556.db2.gz SUSUIAKDDHYAML-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO CCC(=O)N1CCc2ccc(NCc3[nH+]cc(C)c(OC)c3C)cc21 ZINC000897763187 1033153762 /nfs/dbraw/zinc/15/37/62/1033153762.db2.gz LHOTZDAGSNQSBE-UHFFFAOYSA-N 1 2 339.439 3.618 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341942359 1023711546 /nfs/dbraw/zinc/71/15/46/1023711546.db2.gz FZMBREQLVBOQIA-UHFFFAOYSA-N 1 2 328.460 3.886 20 0 EHADLO Cc1noc(C[C@@H]([NH2+][C@H](C)c2csc(C)n2)c2ccccc2)n1 ZINC000277093536 1023757833 /nfs/dbraw/zinc/75/78/33/1023757833.db2.gz KUTBBTRXYYWHQW-IAQYHMDHSA-N 1 2 328.441 3.778 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH+]2CCC(c3ccccc3F)CC2)n1 ZINC000602786635 1033159959 /nfs/dbraw/zinc/15/99/59/1033159959.db2.gz ZNYFSBPRZCSLDI-LBPRGKRZSA-N 1 2 332.375 3.541 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000897772268 1033160471 /nfs/dbraw/zinc/16/04/71/1033160471.db2.gz QBLJMPOETOQWTE-MRXNPFEDSA-N 1 2 332.492 3.590 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342061579 1023813312 /nfs/dbraw/zinc/81/33/12/1023813312.db2.gz VLBHZFDIIRTBJM-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602795746 1033169896 /nfs/dbraw/zinc/16/98/96/1033169896.db2.gz CHZRCRFSSMJEPR-QGZVFWFLSA-N 1 2 348.830 3.567 20 0 EHADLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602795746 1033169903 /nfs/dbraw/zinc/16/99/03/1033169903.db2.gz CHZRCRFSSMJEPR-QGZVFWFLSA-N 1 2 348.830 3.567 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610947750 1023903612 /nfs/dbraw/zinc/90/36/12/1023903612.db2.gz WRDGRLUAQGCNKF-CQSZACIVSA-N 1 2 325.437 3.842 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884117 1023941565 /nfs/dbraw/zinc/94/15/65/1023941565.db2.gz AYPBXMLXDUKWFC-BUIXCFAXSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884117 1023941571 /nfs/dbraw/zinc/94/15/71/1023941571.db2.gz AYPBXMLXDUKWFC-BUIXCFAXSA-N 1 2 338.854 3.777 20 0 EHADLO CCOc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468995 1033174697 /nfs/dbraw/zinc/17/46/97/1033174697.db2.gz XBFMOARHPBIZFC-INIZCTEOSA-N 1 2 330.432 3.518 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccoc3Cl)n2)C1 ZINC000192412601 1024002863 /nfs/dbraw/zinc/00/28/63/1024002863.db2.gz SYKGEBQLCJQDJO-SNVBAGLBSA-N 1 2 339.848 3.874 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccoc3Cl)n2)C1 ZINC000192412601 1024002876 /nfs/dbraw/zinc/00/28/76/1024002876.db2.gz SYKGEBQLCJQDJO-SNVBAGLBSA-N 1 2 339.848 3.874 20 0 EHADLO Cc1cc(N2CCN(Cc3ccc(F)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000216500078 1024031953 /nfs/dbraw/zinc/03/19/53/1024031953.db2.gz UIMBEEVFVFCVHY-UHFFFAOYSA-N 1 2 346.425 3.509 20 0 EHADLO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc(Cl)c1OC ZINC000443853146 1024053467 /nfs/dbraw/zinc/05/34/67/1024053467.db2.gz MAERVCIYMZQINA-UHFFFAOYSA-N 1 2 327.852 3.747 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccncc3)n2)ccc1F ZINC000151113347 1024053796 /nfs/dbraw/zinc/05/37/96/1024053796.db2.gz NJIUFZPJBAYYDS-QWHCGFSZSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCCCNc2cccc[nH+]2)c1C ZINC000434480139 1024071359 /nfs/dbraw/zinc/07/13/59/1024071359.db2.gz CPHVNPMAHBWXCZ-UHFFFAOYSA-N 1 2 332.835 3.976 20 0 EHADLO Cc1ccc2c(CC[NH2+][C@H](c3nnc[nH]3)c3ccccc3)cn(C)c2c1 ZINC000343801259 1033181774 /nfs/dbraw/zinc/18/17/74/1033181774.db2.gz TUYFSJIUXRFWPA-FQEVSTJZSA-N 1 2 345.450 3.527 20 0 EHADLO O=C1c2ncccc2CN1C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000839976609 1024096239 /nfs/dbraw/zinc/09/62/39/1024096239.db2.gz YZMHBOIRCSZYJB-UHFFFAOYSA-N 1 2 343.430 3.813 20 0 EHADLO O=C1c2ncccc2CN1C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000839976609 1024096253 /nfs/dbraw/zinc/09/62/53/1024096253.db2.gz YZMHBOIRCSZYJB-UHFFFAOYSA-N 1 2 343.430 3.813 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3c3ccncc3)nc(N)c2c1C ZINC000093222525 1024102353 /nfs/dbraw/zinc/10/23/53/1024102353.db2.gz RKOPUPBZDYQJFI-CQSZACIVSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H]3c3ccncc3)nc(N)c2c1C ZINC000093222525 1024102360 /nfs/dbraw/zinc/10/23/60/1024102360.db2.gz RKOPUPBZDYQJFI-CQSZACIVSA-N 1 2 339.468 3.622 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnc(N(C)C)s2)c2ccco2)cc1 ZINC000449769301 1033187235 /nfs/dbraw/zinc/18/72/35/1033187235.db2.gz DFAKKMVUDDHXEW-KRWDZBQOSA-N 1 2 343.452 3.690 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(OC)ccc(F)c1F ZINC001143421758 1024125552 /nfs/dbraw/zinc/12/55/52/1024125552.db2.gz XTENAGKATPSEFE-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(OC)ccc(F)c1F ZINC001143421758 1024125557 /nfs/dbraw/zinc/12/55/57/1024125557.db2.gz XTENAGKATPSEFE-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1nc(C(C)(C)C)no1 ZINC000191571460 1024127198 /nfs/dbraw/zinc/12/71/98/1024127198.db2.gz ROMSYSPNPPBGMC-WBVHZDCISA-N 1 2 342.487 3.682 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1nc(C(C)(C)C)no1 ZINC000191571435 1024127872 /nfs/dbraw/zinc/12/78/72/1024127872.db2.gz ROMSYSPNPPBGMC-NVXWUHKLSA-N 1 2 342.487 3.682 20 0 EHADLO C[C@H](C1CCC1)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547246 1024134305 /nfs/dbraw/zinc/13/43/05/1024134305.db2.gz AFIXVQWHXIREFF-CQSZACIVSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@H](C1CCC1)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547246 1024134311 /nfs/dbraw/zinc/13/43/11/1024134311.db2.gz AFIXVQWHXIREFF-CQSZACIVSA-N 1 2 349.906 3.528 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(CCc3ccccc3)ccn2)c[nH+]1 ZINC000896869714 1024171689 /nfs/dbraw/zinc/17/16/89/1024171689.db2.gz QVWKRMLFRZNQBH-UHFFFAOYSA-N 1 2 348.450 3.746 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(C)s1 ZINC000443613731 1024239709 /nfs/dbraw/zinc/23/97/09/1024239709.db2.gz DMJADEBQQFFXDB-HNNXBMFYSA-N 1 2 332.444 3.994 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(C)s1 ZINC000443613731 1024239723 /nfs/dbraw/zinc/23/97/23/1024239723.db2.gz DMJADEBQQFFXDB-HNNXBMFYSA-N 1 2 332.444 3.994 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280984337 1024241536 /nfs/dbraw/zinc/24/15/36/1024241536.db2.gz UPEPTJRLCUMBGZ-LLVKDONJSA-N 1 2 340.254 3.879 20 0 EHADLO Cc1sc2nc(C)nc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1C ZINC000329916321 1024249785 /nfs/dbraw/zinc/24/97/85/1024249785.db2.gz YVDUDUODWJRGDB-OAHLLOKOSA-N 1 2 340.452 3.669 20 0 EHADLO C[C@H](F)CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000505466320 1024282586 /nfs/dbraw/zinc/28/25/86/1024282586.db2.gz FTEQRNADWOYULF-RYUDHWBXSA-N 1 2 340.443 3.869 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342184192 1024344464 /nfs/dbraw/zinc/34/44/64/1024344464.db2.gz YYVMVIMKYPPEDS-UHFFFAOYSA-N 1 2 341.430 3.598 20 0 EHADLO c1ccc([C@H]2OCC[C@@H]2CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000330240343 1024368198 /nfs/dbraw/zinc/36/81/98/1024368198.db2.gz IPCPOVRHBWUOGO-YLJYHZDGSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@H]2OCC[C@@H]2CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000330240343 1024368217 /nfs/dbraw/zinc/36/82/17/1024368217.db2.gz IPCPOVRHBWUOGO-YLJYHZDGSA-N 1 2 338.455 3.657 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(Br)c1F ZINC001141778329 1024371982 /nfs/dbraw/zinc/37/19/82/1024371982.db2.gz UNNQDVXFHQDWSB-ZACCUICWSA-N 1 2 346.215 3.869 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(Br)c1F ZINC001141778329 1024371997 /nfs/dbraw/zinc/37/19/97/1024371997.db2.gz UNNQDVXFHQDWSB-ZACCUICWSA-N 1 2 346.215 3.869 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)C1CCCCC1 ZINC000505505730 1024388841 /nfs/dbraw/zinc/38/88/41/1024388841.db2.gz KDDKMXZALFCGON-DNVCBOLYSA-N 1 2 332.463 3.905 20 0 EHADLO CC[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425185527 1024418582 /nfs/dbraw/zinc/41/85/82/1024418582.db2.gz HAIBIHHLFZJKQH-FUHWJXTLSA-N 1 2 325.456 3.970 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414854851 1024435828 /nfs/dbraw/zinc/43/58/28/1024435828.db2.gz UXBFBKMJLAMKOQ-UHFFFAOYSA-N 1 2 328.412 3.683 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505524782 1024436144 /nfs/dbraw/zinc/43/61/44/1024436144.db2.gz WMSBMDNJZBUCNX-LJQANCHMSA-N 1 2 326.415 3.736 20 0 EHADLO Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000346145508 1024446186 /nfs/dbraw/zinc/44/61/86/1024446186.db2.gz SLYRYVXLBJQGFM-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000190736003 1024446403 /nfs/dbraw/zinc/44/64/03/1024446403.db2.gz FJWSYOJJEADFNY-UHFFFAOYSA-N 1 2 347.422 3.547 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCN1CCCC1=O ZINC000434894292 1024476945 /nfs/dbraw/zinc/47/69/45/1024476945.db2.gz FINSKBHABCNJNL-LLVKDONJSA-N 1 2 327.255 3.535 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCN1CCCC1=O ZINC000434894292 1024476953 /nfs/dbraw/zinc/47/69/53/1024476953.db2.gz FINSKBHABCNJNL-LLVKDONJSA-N 1 2 327.255 3.535 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895404701 1024478184 /nfs/dbraw/zinc/47/81/84/1024478184.db2.gz KUSCBODTAAAGHJ-YPMHNXCESA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895404701 1024478187 /nfs/dbraw/zinc/47/81/87/1024478187.db2.gz KUSCBODTAAAGHJ-YPMHNXCESA-N 1 2 334.407 3.943 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c(F)c1 ZINC000434904203 1024495969 /nfs/dbraw/zinc/49/59/69/1024495969.db2.gz DMBWGGNATPSGGX-UHFFFAOYSA-N 1 2 348.462 3.744 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425244694 1024501053 /nfs/dbraw/zinc/50/10/53/1024501053.db2.gz ZQUPYXINNYBZIA-HXUWFJFHSA-N 1 2 347.462 3.907 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000190777833 1024504808 /nfs/dbraw/zinc/50/48/08/1024504808.db2.gz ZMVTWYNCWQWFQK-ZWKOTPCHSA-N 1 2 340.471 3.847 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187586 1024511694 /nfs/dbraw/zinc/51/16/94/1024511694.db2.gz YKCDEGSOMOWSKM-HUUCEWRRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187586 1024511709 /nfs/dbraw/zinc/51/17/09/1024511709.db2.gz YKCDEGSOMOWSKM-HUUCEWRRSA-N 1 2 345.270 3.557 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)o1 ZINC000895449574 1024514848 /nfs/dbraw/zinc/51/48/48/1024514848.db2.gz RSBKZUOKGOZNLF-CYBMUJFWSA-N 1 2 330.211 3.808 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425253416 1024523502 /nfs/dbraw/zinc/52/35/02/1024523502.db2.gz JXXKEXYYWUKSAR-RDJZCZTQSA-N 1 2 325.456 3.826 20 0 EHADLO Clc1ccc2nc([C@@H]3CCCN3c3[nH+]cnc4[nH]ccc43)[nH]c2c1 ZINC000342240099 1024525788 /nfs/dbraw/zinc/52/57/88/1024525788.db2.gz WHRITZLSCNWOIL-AWEZNQCLSA-N 1 2 338.802 3.829 20 0 EHADLO CCCN(Cc1ccccc1F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000653270833 1033217324 /nfs/dbraw/zinc/21/73/24/1033217324.db2.gz GAIBTUMFEKRKPM-UHFFFAOYSA-N 1 2 329.419 3.959 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000895454328 1024530483 /nfs/dbraw/zinc/53/04/83/1024530483.db2.gz XEVYBZIFYIGOIM-UHFFFAOYSA-N 1 2 339.361 3.604 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)[nH]1 ZINC000277308724 1024551433 /nfs/dbraw/zinc/55/14/33/1024551433.db2.gz SIPYCVTZVJYGCM-YNEHKIRRSA-N 1 2 332.496 3.990 20 0 EHADLO CN(Cc1ccccc1Cl)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346238713 1024553871 /nfs/dbraw/zinc/55/38/71/1024553871.db2.gz UPUSPXXVXLTAMA-UHFFFAOYSA-N 1 2 339.826 3.857 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000346247261 1024568343 /nfs/dbraw/zinc/56/83/43/1024568343.db2.gz ARZBTCQFGMVKTH-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCOc4c(F)cccc4C3)cc2c1 ZINC000435031722 1024570083 /nfs/dbraw/zinc/57/00/83/1024570083.db2.gz AEUDLUOWVBEQKB-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCOc4c(F)cccc4C3)cc2c1 ZINC000435031722 1024570094 /nfs/dbraw/zinc/57/00/94/1024570094.db2.gz AEUDLUOWVBEQKB-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)ccc21 ZINC000366620255 1024573494 /nfs/dbraw/zinc/57/34/94/1024573494.db2.gz ONJSRFZCLWLESE-MRXNPFEDSA-N 1 2 336.439 3.695 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1Cl ZINC000895549475 1024594018 /nfs/dbraw/zinc/59/40/18/1024594018.db2.gz IEFCGCVKISVOSL-UHFFFAOYSA-N 1 2 337.826 3.564 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000185312973 1024598468 /nfs/dbraw/zinc/59/84/68/1024598468.db2.gz MDVJTCDGZZJTDN-UKRRQHHQSA-N 1 2 335.835 3.640 20 0 EHADLO Cc1nn2c(C[N@H+](C)Cc3cccc(F)c3)c(C(C)C)nc2s1 ZINC000505597335 1024605966 /nfs/dbraw/zinc/60/59/66/1024605966.db2.gz QMUZMCUQXVFWLJ-UHFFFAOYSA-N 1 2 332.448 3.994 20 0 EHADLO Cc1nn2c(C[N@@H+](C)Cc3cccc(F)c3)c(C(C)C)nc2s1 ZINC000505597335 1024605970 /nfs/dbraw/zinc/60/59/70/1024605970.db2.gz QMUZMCUQXVFWLJ-UHFFFAOYSA-N 1 2 332.448 3.994 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC000116393185 1024612660 /nfs/dbraw/zinc/61/26/60/1024612660.db2.gz ATKVGJCSLHVJDU-UGSOOPFHSA-N 1 2 329.444 3.552 20 0 EHADLO CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342260422 1024613810 /nfs/dbraw/zinc/61/38/10/1024613810.db2.gz UUDWPKHPQHCFAH-OAHLLOKOSA-N 1 2 344.827 3.784 20 0 EHADLO CSc1cc(C)c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000665398618 1024622045 /nfs/dbraw/zinc/62/20/45/1024622045.db2.gz QEVVUPQVCNTFNG-UHFFFAOYSA-N 1 2 344.480 3.576 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000684686823 1024627267 /nfs/dbraw/zinc/62/72/67/1024627267.db2.gz QVLYJRSQRKWHSP-LJQANCHMSA-N 1 2 338.386 3.669 20 0 EHADLO COCCOCc1ccc(CNc2[nH+]c3ccccc3cc2C)cc1 ZINC000514640925 1024629502 /nfs/dbraw/zinc/62/95/02/1024629502.db2.gz ORDGJHZQUHZPFV-UHFFFAOYSA-N 1 2 336.435 3.740 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000684686889 1024629763 /nfs/dbraw/zinc/62/97/63/1024629763.db2.gz UCMJNGLHCNOBMN-GOEBONIOSA-N 1 2 338.386 3.931 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135440 1024646557 /nfs/dbraw/zinc/64/65/57/1024646557.db2.gz PSTMSTMWEGBZHY-WDEREUQCSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135440 1024646567 /nfs/dbraw/zinc/64/65/67/1024646567.db2.gz PSTMSTMWEGBZHY-WDEREUQCSA-N 1 2 334.407 3.941 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cc(F)cc1F ZINC000151794165 1024652390 /nfs/dbraw/zinc/65/23/90/1024652390.db2.gz UGZBEBQDQVBODK-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000514675414 1024660908 /nfs/dbraw/zinc/66/09/08/1024660908.db2.gz RHWDBXJARGPZAD-YLJYHZDGSA-N 1 2 343.430 3.624 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([S@](C)=O)cc1 ZINC000281109136 1024665304 /nfs/dbraw/zinc/66/53/04/1024665304.db2.gz LRYNJQCEHRPZKW-WBNWAKSLSA-N 1 2 345.361 3.831 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346346391 1024669104 /nfs/dbraw/zinc/66/91/04/1024669104.db2.gz IQGKOROGUIFHMQ-UHFFFAOYSA-N 1 2 333.435 3.982 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)Cc1c(F)cccc1F ZINC000474270312 1024672085 /nfs/dbraw/zinc/67/20/85/1024672085.db2.gz BTYDZWBIARIXSG-UHFFFAOYSA-N 1 2 348.418 3.900 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)Cc1c(F)cccc1F ZINC000474270312 1024672092 /nfs/dbraw/zinc/67/20/92/1024672092.db2.gz BTYDZWBIARIXSG-UHFFFAOYSA-N 1 2 348.418 3.900 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000346360737 1024680998 /nfs/dbraw/zinc/68/09/98/1024680998.db2.gz JLKAWARCYPLRKU-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000346360737 1024680999 /nfs/dbraw/zinc/68/09/99/1024680999.db2.gz JLKAWARCYPLRKU-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000104002810 1024691326 /nfs/dbraw/zinc/69/13/26/1024691326.db2.gz YZZPNUTZOMNUBH-AWEZNQCLSA-N 1 2 347.846 3.511 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccccc1C(=O)N(C)C ZINC000417793081 1024699590 /nfs/dbraw/zinc/69/95/90/1024699590.db2.gz JTLKKSYJKGABQG-ZDUSSCGKSA-N 1 2 344.405 3.786 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccccc1C(=O)N(C)C ZINC000417793081 1024699595 /nfs/dbraw/zinc/69/95/95/1024699595.db2.gz JTLKKSYJKGABQG-ZDUSSCGKSA-N 1 2 344.405 3.786 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccccc1C(=O)N(C)C ZINC000417793076 1024700838 /nfs/dbraw/zinc/70/08/38/1024700838.db2.gz JTLKKSYJKGABQG-CYBMUJFWSA-N 1 2 344.405 3.786 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccccc1C(=O)N(C)C ZINC000417793076 1024700848 /nfs/dbraw/zinc/70/08/48/1024700848.db2.gz JTLKKSYJKGABQG-CYBMUJFWSA-N 1 2 344.405 3.786 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccco1)CC(F)(F)F ZINC000342282373 1024707301 /nfs/dbraw/zinc/70/73/01/1024707301.db2.gz NPRQSTAKDNGZTI-UHFFFAOYSA-N 1 2 349.312 3.670 20 0 EHADLO Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1NC(=O)C(C)(C)C ZINC000514733994 1024707928 /nfs/dbraw/zinc/70/79/28/1024707928.db2.gz WLYFTFDHRCYERQ-CQSZACIVSA-N 1 2 342.443 3.766 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C3CCC3)nn1)CCS2 ZINC000657297656 1024711533 /nfs/dbraw/zinc/71/15/33/1024711533.db2.gz POLICUICYWPLHW-OAHLLOKOSA-N 1 2 334.876 3.983 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000346426433 1024725958 /nfs/dbraw/zinc/72/59/58/1024725958.db2.gz FVWSORZWVJJRNV-UHFFFAOYSA-N 1 2 333.382 3.510 20 0 EHADLO C[NH+](C)[C@H](CN[C@@H](c1ccc(F)cc1)c1ccccn1)c1ccco1 ZINC000346437644 1024733123 /nfs/dbraw/zinc/73/31/23/1024733123.db2.gz GWEQPPQQSZENPI-QUCCMNQESA-N 1 2 339.414 3.796 20 0 EHADLO CC(C)n1cncc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000425323639 1024761950 /nfs/dbraw/zinc/76/19/50/1024761950.db2.gz LBIPSJBSYWDHIV-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO CC(C)n1cncc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000425323639 1024761960 /nfs/dbraw/zinc/76/19/60/1024761960.db2.gz LBIPSJBSYWDHIV-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cncn1C(C)C)CC2 ZINC000425318572 1024744743 /nfs/dbraw/zinc/74/47/43/1024744743.db2.gz AXYAHCJBNNSOQV-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cncn1C(C)C)CC2 ZINC000425318572 1024744757 /nfs/dbraw/zinc/74/47/57/1024744757.db2.gz AXYAHCJBNNSOQV-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(F)cc2cccnc21 ZINC000346467272 1024753725 /nfs/dbraw/zinc/75/37/25/1024753725.db2.gz WTDKTAWPKYQEGJ-UHFFFAOYSA-N 1 2 332.419 3.926 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(F)cc2cccnc21 ZINC000346467272 1024753736 /nfs/dbraw/zinc/75/37/36/1024753736.db2.gz WTDKTAWPKYQEGJ-UHFFFAOYSA-N 1 2 332.419 3.926 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC1(C)C ZINC000425326787 1024754311 /nfs/dbraw/zinc/75/43/11/1024754311.db2.gz LZTALHJIENBVFC-ZACQAIPSSA-N 1 2 325.456 3.873 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000114724959 1024754336 /nfs/dbraw/zinc/75/43/36/1024754336.db2.gz XREOJVJUOLUBEF-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000114724959 1024754344 /nfs/dbraw/zinc/75/43/44/1024754344.db2.gz XREOJVJUOLUBEF-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000427741651 1024761834 /nfs/dbraw/zinc/76/18/34/1024761834.db2.gz DQHJDYVNMLLMBL-UHFFFAOYSA-N 1 2 344.418 3.685 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(=O)c2ccccc12 ZINC000054549609 1033238013 /nfs/dbraw/zinc/23/80/13/1033238013.db2.gz IMRHIUCLTAKVPN-LJQANCHMSA-N 1 2 347.462 3.760 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c(=O)c2ccccc12 ZINC000054549609 1033238021 /nfs/dbraw/zinc/23/80/21/1033238021.db2.gz IMRHIUCLTAKVPN-LJQANCHMSA-N 1 2 347.462 3.760 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(F)c1 ZINC000425336534 1024780384 /nfs/dbraw/zinc/78/03/84/1024780384.db2.gz LPNLYRXILIZKGS-CYBMUJFWSA-N 1 2 333.382 3.913 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(F)c1 ZINC000425336534 1024780396 /nfs/dbraw/zinc/78/03/96/1024780396.db2.gz LPNLYRXILIZKGS-CYBMUJFWSA-N 1 2 333.382 3.913 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000505662150 1024781686 /nfs/dbraw/zinc/78/16/86/1024781686.db2.gz OXJNBIDVTTXVTJ-KDOFPFPSSA-N 1 2 344.430 3.680 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000505662150 1024781699 /nfs/dbraw/zinc/78/16/99/1024781699.db2.gz OXJNBIDVTTXVTJ-KDOFPFPSSA-N 1 2 344.430 3.680 20 0 EHADLO CCCc1c(C(=O)Nc2cccc3[nH+]ccn32)cnn1-c1ccccc1 ZINC000342306438 1024802531 /nfs/dbraw/zinc/80/25/31/1024802531.db2.gz FFMFTRDRVHTLMO-UHFFFAOYSA-N 1 2 345.406 3.725 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000346498907 1024811432 /nfs/dbraw/zinc/81/14/32/1024811432.db2.gz KWKPLZCNFDWQGL-UHFFFAOYSA-N 1 2 343.333 3.970 20 0 EHADLO COC[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000346522001 1024824609 /nfs/dbraw/zinc/82/46/09/1024824609.db2.gz JZKOHVULCOEUNJ-CABCVRRESA-N 1 2 343.345 3.699 20 0 EHADLO COc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000346538712 1024844326 /nfs/dbraw/zinc/84/43/26/1024844326.db2.gz DYADGIWBRJFDGP-CQSZACIVSA-N 1 2 345.406 3.997 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cs1 ZINC000342317774 1024851736 /nfs/dbraw/zinc/85/17/36/1024851736.db2.gz AHUYMFUBDZRKOC-WFASDCNBSA-N 1 2 336.505 3.851 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+]2CCc3sccc3C2)C2CC2)CC1 ZINC000342320912 1024864619 /nfs/dbraw/zinc/86/46/19/1024864619.db2.gz NTOWLFNTFLYQDH-UHFFFAOYSA-N 1 2 332.513 3.676 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+]2CCc3sccc3C2)C2CC2)CC1 ZINC000342320912 1024864633 /nfs/dbraw/zinc/86/46/33/1024864633.db2.gz NTOWLFNTFLYQDH-UHFFFAOYSA-N 1 2 332.513 3.676 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000151875928 1024871870 /nfs/dbraw/zinc/87/18/70/1024871870.db2.gz LMHSGRDWXWCSEO-ZBEGNZNMSA-N 1 2 335.810 3.707 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000346543691 1024879091 /nfs/dbraw/zinc/87/90/91/1024879091.db2.gz HWDQYYYVBFXHHE-HNNXBMFYSA-N 1 2 328.460 3.886 20 0 EHADLO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000281296598 1024894179 /nfs/dbraw/zinc/89/41/79/1024894179.db2.gz NFHDLLYBDOMGGG-HNNXBMFYSA-N 1 2 348.450 3.687 20 0 EHADLO C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000281296598 1024894190 /nfs/dbraw/zinc/89/41/90/1024894190.db2.gz NFHDLLYBDOMGGG-HNNXBMFYSA-N 1 2 348.450 3.687 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000563212194 1024895545 /nfs/dbraw/zinc/89/55/45/1024895545.db2.gz QQJFBUIYDBKFNJ-KBRIMQKVSA-N 1 2 343.389 3.630 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000563212194 1024895561 /nfs/dbraw/zinc/89/55/61/1024895561.db2.gz QQJFBUIYDBKFNJ-KBRIMQKVSA-N 1 2 343.389 3.630 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000895845927 1024907053 /nfs/dbraw/zinc/90/70/53/1024907053.db2.gz RQBBSJWLTZTRJN-QXMXGUDHSA-N 1 2 339.530 3.598 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccn(CC(C)C)n3)c2)[nH+]c1C ZINC000895854296 1024913527 /nfs/dbraw/zinc/91/35/27/1024913527.db2.gz MLMKMIOCXZWMQN-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)NCc1ccccc1F ZINC000071953721 1024921749 /nfs/dbraw/zinc/92/17/49/1024921749.db2.gz MBNKFSFTRWRFBO-GOSISDBHSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)NCc1ccccc1F ZINC000071953721 1024921756 /nfs/dbraw/zinc/92/17/56/1024921756.db2.gz MBNKFSFTRWRFBO-GOSISDBHSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427992640 1024928551 /nfs/dbraw/zinc/92/85/51/1024928551.db2.gz MKXODNKKHQJXPF-HNNXBMFYSA-N 1 2 339.464 3.552 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153820 1024937689 /nfs/dbraw/zinc/93/76/89/1024937689.db2.gz FLAPVCFVVSSQPG-ZIAGYGMSSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153820 1024937698 /nfs/dbraw/zinc/93/76/98/1024937698.db2.gz FLAPVCFVVSSQPG-ZIAGYGMSSA-N 1 2 345.512 3.712 20 0 EHADLO CCC[C@](C)(CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474424784 1024941587 /nfs/dbraw/zinc/94/15/87/1024941587.db2.gz DAUGDHVMZYCTTN-FQEVSTJZSA-N 1 2 346.519 3.773 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157556992 1024950553 /nfs/dbraw/zinc/95/05/53/1024950553.db2.gz IYUUPTKSJCPKNX-LBPRGKRZSA-N 1 2 347.532 3.918 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCCC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000594218695 1033248446 /nfs/dbraw/zinc/24/84/46/1033248446.db2.gz RTIMFCARVDWDSM-UHFFFAOYSA-N 1 2 331.416 3.712 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000157604749 1024971280 /nfs/dbraw/zinc/97/12/80/1024971280.db2.gz IXPNPOAFBZCYDC-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000157604749 1024971289 /nfs/dbraw/zinc/97/12/89/1024971289.db2.gz IXPNPOAFBZCYDC-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO Cc1cncc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346632322 1024971671 /nfs/dbraw/zinc/97/16/71/1024971671.db2.gz MKFCYUYDEGIDBU-LJQANCHMSA-N 1 2 325.362 3.942 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000508283668 1025005387 /nfs/dbraw/zinc/00/53/87/1025005387.db2.gz HYTBOMMWDGTWCB-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000508283668 1025005395 /nfs/dbraw/zinc/00/53/95/1025005395.db2.gz HYTBOMMWDGTWCB-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548646317 1025008393 /nfs/dbraw/zinc/00/83/93/1025008393.db2.gz GFCUGAWTHDJDRO-ZDUSSCGKSA-N 1 2 346.862 3.798 20 0 EHADLO O=S(=O)(Cc1ccccc1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000151938689 1025013085 /nfs/dbraw/zinc/01/30/85/1025013085.db2.gz OZBXSIFBXDGPEF-UHFFFAOYSA-N 1 2 338.432 3.618 20 0 EHADLO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(C(F)F)no1 ZINC000425397568 1025046521 /nfs/dbraw/zinc/04/65/21/1025046521.db2.gz SESWZQUOLAGBLU-UHFFFAOYSA-N 1 2 348.353 3.727 20 0 EHADLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(C(F)F)no1 ZINC000425397568 1025046538 /nfs/dbraw/zinc/04/65/38/1025046538.db2.gz SESWZQUOLAGBLU-UHFFFAOYSA-N 1 2 348.353 3.727 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)co1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000366884135 1025067275 /nfs/dbraw/zinc/06/72/75/1025067275.db2.gz VVIWUHFNLTTYJD-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CSc1c(F)cccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000435684121 1025067352 /nfs/dbraw/zinc/06/73/52/1025067352.db2.gz KDTDOITZSCBGKM-UHFFFAOYSA-N 1 2 333.432 3.565 20 0 EHADLO Cc1cccn2cc(Cc3noc(C4C[C@H]5CC[C@@H](C4)S5)n3)[nH+]c12 ZINC000896066690 1025119862 /nfs/dbraw/zinc/11/98/62/1025119862.db2.gz PLOXCZDTMKZEAF-LQDVMPOASA-N 1 2 340.452 3.758 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000469818185 1025126501 /nfs/dbraw/zinc/12/65/01/1025126501.db2.gz SDTUNXOOCIHJFG-AWEZNQCLSA-N 1 2 339.464 3.768 20 0 EHADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1)OCO2 ZINC000435769731 1025130777 /nfs/dbraw/zinc/13/07/77/1025130777.db2.gz WYGACBJEXKAXPD-AWEZNQCLSA-N 1 2 349.228 3.843 20 0 EHADLO Brc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1)OCO2 ZINC000435769731 1025130788 /nfs/dbraw/zinc/13/07/88/1025130788.db2.gz WYGACBJEXKAXPD-AWEZNQCLSA-N 1 2 349.228 3.843 20 0 EHADLO CCc1ccccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000190950285 1025134874 /nfs/dbraw/zinc/13/48/74/1025134874.db2.gz WYZFSHJOWUZTQS-UHFFFAOYSA-N 1 2 343.496 3.873 20 0 EHADLO OCC[NH+]=c1[nH]c2ccccc2n1Cc1ccc(-c2ccsc2)cc1 ZINC000435787746 1025136390 /nfs/dbraw/zinc/13/63/90/1025136390.db2.gz ABDZDTYMKBFHTQ-UHFFFAOYSA-N 1 2 349.459 3.639 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000152068623 1025145824 /nfs/dbraw/zinc/14/58/24/1025145824.db2.gz AOVXKTZYFXNYMY-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc(C(C)C)nc4)n3)[nH+]c12 ZINC000546387225 1025170210 /nfs/dbraw/zinc/17/02/10/1025170210.db2.gz SUWZAQHSKJFJHU-UHFFFAOYSA-N 1 2 333.395 3.802 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000152102322 1025193941 /nfs/dbraw/zinc/19/39/41/1025193941.db2.gz RKQLCXNCSXIGMZ-AWEZNQCLSA-N 1 2 336.391 3.979 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CCC3(CCCCC3)O1)C2 ZINC000190965269 1025199102 /nfs/dbraw/zinc/19/91/02/1025199102.db2.gz VCMWATHPXNVZMA-INIZCTEOSA-N 1 2 331.504 3.784 20 0 EHADLO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CCC3(CCCCC3)O1)C2 ZINC000190965269 1025199106 /nfs/dbraw/zinc/19/91/06/1025199106.db2.gz VCMWATHPXNVZMA-INIZCTEOSA-N 1 2 331.504 3.784 20 0 EHADLO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CCC3(CCCCC3)O1)C2 ZINC000190965269 1025199109 /nfs/dbraw/zinc/19/91/09/1025199109.db2.gz VCMWATHPXNVZMA-INIZCTEOSA-N 1 2 331.504 3.784 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C)c1ncc(Br)cn1 ZINC000346883511 1025254033 /nfs/dbraw/zinc/25/40/33/1025254033.db2.gz LWEJQJRMZHIUFG-JTQLQIEISA-N 1 2 326.263 3.884 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C)c1ncc(Br)cn1 ZINC000346883511 1025254046 /nfs/dbraw/zinc/25/40/46/1025254046.db2.gz LWEJQJRMZHIUFG-JTQLQIEISA-N 1 2 326.263 3.884 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)c1 ZINC000425427373 1025259774 /nfs/dbraw/zinc/25/97/74/1025259774.db2.gz UKPRUZYUEPKGNO-GOSISDBHSA-N 1 2 337.448 3.779 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)c1 ZINC000425427373 1025259785 /nfs/dbraw/zinc/25/97/85/1025259785.db2.gz UKPRUZYUEPKGNO-GOSISDBHSA-N 1 2 337.448 3.779 20 0 EHADLO CC(C)[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1F ZINC000521195554 1025269095 /nfs/dbraw/zinc/26/90/95/1025269095.db2.gz GYEOGMWRNITMHX-UHFFFAOYSA-N 1 2 346.421 3.534 20 0 EHADLO CC(C)[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1F ZINC000521195554 1025269110 /nfs/dbraw/zinc/26/91/10/1025269110.db2.gz GYEOGMWRNITMHX-UHFFFAOYSA-N 1 2 346.421 3.534 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000281609213 1025293215 /nfs/dbraw/zinc/29/32/15/1025293215.db2.gz ZCSNIXDIIHWDRU-IFXJQAMLSA-N 1 2 337.398 3.899 20 0 EHADLO FC(F)(F)c1cccc(C2([NH2+]Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000657344757 1025339821 /nfs/dbraw/zinc/33/98/21/1025339821.db2.gz CGJDSVWCLHNKMW-UHFFFAOYSA-N 1 2 336.361 3.801 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+][C@@H]2COc3cccc(Cl)c32)cn1 ZINC000342420109 1025341468 /nfs/dbraw/zinc/34/14/68/1025341468.db2.gz PZRDXUMBTIPHMM-OAHLLOKOSA-N 1 2 331.847 3.803 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)oc21 ZINC000521365898 1025348573 /nfs/dbraw/zinc/34/85/73/1025348573.db2.gz DZSQNDLAUGKOKT-OLZOCXBDSA-N 1 2 341.411 3.611 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)oc21 ZINC000521365898 1025348589 /nfs/dbraw/zinc/34/85/89/1025348589.db2.gz DZSQNDLAUGKOKT-OLZOCXBDSA-N 1 2 341.411 3.611 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)o1 ZINC000425454175 1025353427 /nfs/dbraw/zinc/35/34/27/1025353427.db2.gz AHTARHFRBGFDTC-CQSZACIVSA-N 1 2 337.464 3.669 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)o1 ZINC000425454175 1025353437 /nfs/dbraw/zinc/35/34/37/1025353437.db2.gz AHTARHFRBGFDTC-CQSZACIVSA-N 1 2 337.464 3.669 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccccc1C ZINC000277486520 1025353867 /nfs/dbraw/zinc/35/38/67/1025353867.db2.gz IEOWMQBOCHMBKL-VAWYXSNFSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C4CCCCC4)nn3C)ccn12 ZINC000521366915 1025355511 /nfs/dbraw/zinc/35/55/11/1025355511.db2.gz QMYSOYMMYJSWNB-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO Cc1cc[nH]c1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000436074193 1025366740 /nfs/dbraw/zinc/36/67/40/1025366740.db2.gz WSPAABCLUQNEJD-HNNXBMFYSA-N 1 2 349.837 3.683 20 0 EHADLO Cc1csc(-c2cccc(OC(=O)CCCn3cc[nH+]c3)c2)n1 ZINC000728474485 1025381427 /nfs/dbraw/zinc/38/14/27/1025381427.db2.gz QCDPKGDJNPYJFD-UHFFFAOYSA-N 1 2 327.409 3.701 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cn2c1 ZINC000505758618 1025381957 /nfs/dbraw/zinc/38/19/57/1025381957.db2.gz OZYMODXTQIYBRP-RHSMWYFYSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000896372645 1025387968 /nfs/dbraw/zinc/38/79/68/1025387968.db2.gz YNDDKIZXESUMNB-QWHCGFSZSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000896372645 1025387983 /nfs/dbraw/zinc/38/79/83/1025387983.db2.gz YNDDKIZXESUMNB-QWHCGFSZSA-N 1 2 348.365 3.557 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000521478468 1025403932 /nfs/dbraw/zinc/40/39/32/1025403932.db2.gz IXBFDFIECLSLAQ-GFCCVEGCSA-N 1 2 333.426 3.942 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000521478468 1025403938 /nfs/dbraw/zinc/40/39/38/1025403938.db2.gz IXBFDFIECLSLAQ-GFCCVEGCSA-N 1 2 333.426 3.942 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000347007874 1025405013 /nfs/dbraw/zinc/40/50/13/1025405013.db2.gz HYXSGOQUSNIMRB-IRXDYDNUSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000342431764 1025418764 /nfs/dbraw/zinc/41/87/64/1025418764.db2.gz HEYDHIATAFCRAG-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442675162 1025419286 /nfs/dbraw/zinc/41/92/86/1025419286.db2.gz FKUYFSXQNZOHHR-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cncc(C)c2)CC1 ZINC000442675162 1025419298 /nfs/dbraw/zinc/41/92/98/1025419298.db2.gz FKUYFSXQNZOHHR-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000436166375 1025430057 /nfs/dbraw/zinc/43/00/57/1025430057.db2.gz QZAMGKUGOMYPPZ-BXUZGUMPSA-N 1 2 325.334 3.579 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@H+](CCOC3CCC3)CCO2)c1 ZINC000347051185 1025445069 /nfs/dbraw/zinc/44/50/69/1025445069.db2.gz JUKWWTOJIHGFKG-INIZCTEOSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCOC3CCC3)CCO2)c1 ZINC000347051185 1025445078 /nfs/dbraw/zinc/44/50/78/1025445078.db2.gz JUKWWTOJIHGFKG-INIZCTEOSA-N 1 2 329.362 3.648 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000684776376 1025451155 /nfs/dbraw/zinc/45/11/55/1025451155.db2.gz IKRYPMAMSYCDHZ-SWLSCSKDSA-N 1 2 344.777 3.804 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000281762588 1025451645 /nfs/dbraw/zinc/45/16/45/1025451645.db2.gz WLKDTQVNHXZUEV-ZUZCIYMTSA-N 1 2 336.432 3.775 20 0 EHADLO CC(C)[C@@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000347093183 1025489488 /nfs/dbraw/zinc/48/94/88/1025489488.db2.gz GRYSEGDKEPTIAW-LJQANCHMSA-N 1 2 343.446 3.757 20 0 EHADLO Cc1ccc([C@H](Nc2cc(NC3CC3)[nH+]cn2)c2ccccn2)cc1 ZINC000521579270 1025492130 /nfs/dbraw/zinc/49/21/30/1025492130.db2.gz XWQUEHPJCXBXEI-FQEVSTJZSA-N 1 2 331.423 3.956 20 0 EHADLO Cc1ccc([C@H](Nc2cc(NC3CC3)nc[nH+]2)c2ccccn2)cc1 ZINC000521579270 1025492143 /nfs/dbraw/zinc/49/21/43/1025492143.db2.gz XWQUEHPJCXBXEI-FQEVSTJZSA-N 1 2 331.423 3.956 20 0 EHADLO CC1=CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000436275274 1025546842 /nfs/dbraw/zinc/54/68/42/1025546842.db2.gz YZCFLBLSVZWTEA-OAHLLOKOSA-N 1 2 325.239 3.751 20 0 EHADLO CC1=CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000436275274 1025546851 /nfs/dbraw/zinc/54/68/51/1025546851.db2.gz YZCFLBLSVZWTEA-OAHLLOKOSA-N 1 2 325.239 3.751 20 0 EHADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000664540984 1025563065 /nfs/dbraw/zinc/56/30/65/1025563065.db2.gz BRXFVZCVLPWODB-OCCSQVGLSA-N 1 2 339.361 3.888 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000664540984 1025563077 /nfs/dbraw/zinc/56/30/77/1025563077.db2.gz BRXFVZCVLPWODB-OCCSQVGLSA-N 1 2 339.361 3.888 20 0 EHADLO COc1cccc2c(NCc3nccn3CC(F)(F)F)cc[nH+]c12 ZINC000436301104 1025566371 /nfs/dbraw/zinc/56/63/71/1025566371.db2.gz XPZLEJSTBWTXHW-UHFFFAOYSA-N 1 2 336.317 3.614 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000607714973 1033291511 /nfs/dbraw/zinc/29/15/11/1033291511.db2.gz URCQTQNNQQHZIR-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO CCc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1F ZINC000530288795 1025592550 /nfs/dbraw/zinc/59/25/50/1025592550.db2.gz PBVMIYUKSGXCAW-CYBMUJFWSA-N 1 2 329.419 3.978 20 0 EHADLO CCc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1F ZINC000530288795 1025592564 /nfs/dbraw/zinc/59/25/64/1025592564.db2.gz PBVMIYUKSGXCAW-CYBMUJFWSA-N 1 2 329.419 3.978 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1scnc1C1CC1)C2 ZINC000530289516 1025597271 /nfs/dbraw/zinc/59/72/71/1025597271.db2.gz IZVYGKDXHBQVMF-NSHDSACASA-N 1 2 330.457 3.611 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1scnc1C1CC1)CC2 ZINC000530289516 1025597289 /nfs/dbraw/zinc/59/72/89/1025597289.db2.gz IZVYGKDXHBQVMF-NSHDSACASA-N 1 2 330.457 3.611 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000425518754 1025606175 /nfs/dbraw/zinc/60/61/75/1025606175.db2.gz ZZLOIXHCTYVWCC-UHFFFAOYSA-N 1 2 336.867 3.789 20 0 EHADLO OC[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000286289005 1025632811 /nfs/dbraw/zinc/63/28/11/1025632811.db2.gz CANOTYWQPGZNGL-MNOVXSKESA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000286289005 1025632821 /nfs/dbraw/zinc/63/28/21/1025632821.db2.gz CANOTYWQPGZNGL-MNOVXSKESA-N 1 2 342.188 3.986 20 0 EHADLO CCC[C@](C)(NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000892225700 1025638954 /nfs/dbraw/zinc/63/89/54/1025638954.db2.gz CKHLWSDLEHNONL-IBGZPJMESA-N 1 2 328.460 3.678 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000443013577 1025664918 /nfs/dbraw/zinc/66/49/18/1025664918.db2.gz LPPNMOYQEPWKTC-FUHWJXTLSA-N 1 2 344.503 3.840 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261600522 1025697844 /nfs/dbraw/zinc/69/78/44/1025697844.db2.gz YEBWXHUPCZQWHO-WQHBLYJGSA-N 1 2 329.227 3.558 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)[nH]2)cc1 ZINC000436409118 1025705569 /nfs/dbraw/zinc/70/55/69/1025705569.db2.gz IAQVUYATANOPDE-MSOLQXFVSA-N 1 2 348.450 3.810 20 0 EHADLO Cc1ccc(C)c([C@H]2CN(c3nc(N)c4ccccc4[nH+]3)[C@H](C)CO2)c1 ZINC000530370511 1025721834 /nfs/dbraw/zinc/72/18/34/1025721834.db2.gz LGRKEGPGRABZOL-DNVCBOLYSA-N 1 2 348.450 3.626 20 0 EHADLO c1ccc(-n2nnc(C[NH2+][C@@H](c3ccccn3)C3CC3)c2C2CC2)cc1 ZINC000896610020 1025727168 /nfs/dbraw/zinc/72/71/68/1025727168.db2.gz SHFZAELWKDIVOZ-HXUWFJFHSA-N 1 2 345.450 3.781 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC(F)(F)C1 ZINC000425565917 1025762744 /nfs/dbraw/zinc/76/27/44/1025762744.db2.gz GXUOUIDTSSEFJH-UHFFFAOYSA-N 1 2 331.366 3.870 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000081318150 1025763073 /nfs/dbraw/zinc/76/30/73/1025763073.db2.gz WDSIPOPJCRYMBO-NXHRZFHOSA-N 1 2 325.456 3.646 20 0 EHADLO COC[C@@H]([NH2+]Cc1cncc(Br)c1C)c1ccc(C)o1 ZINC000657384467 1025767374 /nfs/dbraw/zinc/76/73/74/1025767374.db2.gz SNZAPTWVFGJWAK-CQSZACIVSA-N 1 2 339.233 3.531 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCc4cc(F)ccc43)c[nH+]2)C[C@H](C)O1 ZINC000530424998 1025794881 /nfs/dbraw/zinc/79/48/81/1025794881.db2.gz UENXOEBVGXBXMQ-KSMMKXTCSA-N 1 2 341.430 3.934 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc2cccnc21 ZINC000277541532 1025812589 /nfs/dbraw/zinc/81/25/89/1025812589.db2.gz LTVOTFHKMFWXGW-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000896655062 1025814299 /nfs/dbraw/zinc/81/42/99/1025814299.db2.gz SJIHPRVMTZJELS-UHFFFAOYSA-N 1 2 330.741 3.533 20 0 EHADLO CCc1ccc([C@H](COC)NC(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000436500388 1025814760 /nfs/dbraw/zinc/81/47/60/1025814760.db2.gz ZWLDIPXGQSYTKS-HNNXBMFYSA-N 1 2 331.416 3.671 20 0 EHADLO CCCn1nccc1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000657391680 1025849974 /nfs/dbraw/zinc/84/99/74/1025849974.db2.gz WNSOFMBATWIVFQ-UHFFFAOYSA-N 1 2 340.496 3.825 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000684820908 1025854634 /nfs/dbraw/zinc/85/46/34/1025854634.db2.gz IAZGPKSCSLOSID-UHFFFAOYSA-N 1 2 330.391 3.947 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC000530470915 1025877787 /nfs/dbraw/zinc/87/77/87/1025877787.db2.gz LZLJROIEYOUXEX-XHSDSOJGSA-N 1 2 341.455 3.877 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccccn2)cc1 ZINC000451382849 1025886409 /nfs/dbraw/zinc/88/64/09/1025886409.db2.gz YDWPKMRJPOLKCS-KRWDZBQOSA-N 1 2 339.483 3.589 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccn2)cc1 ZINC000451382849 1025886427 /nfs/dbraw/zinc/88/64/27/1025886427.db2.gz YDWPKMRJPOLKCS-KRWDZBQOSA-N 1 2 339.483 3.589 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CF)CC2)c(Cl)c1 ZINC000451388099 1025892514 /nfs/dbraw/zinc/89/25/14/1025892514.db2.gz ILTJLCZKVOBXOJ-ZDUSSCGKSA-N 1 2 326.843 3.965 20 0 EHADLO Cc1[nH]c(CNC(=O)C2(c3cccc(Cl)c3)CC(C)C2)[nH+]c1C ZINC000896910012 1025936262 /nfs/dbraw/zinc/93/62/62/1025936262.db2.gz KDMSDDPGEUNKJV-UHFFFAOYSA-N 1 2 331.847 3.664 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)[nH+]c1C ZINC000896910104 1025936787 /nfs/dbraw/zinc/93/67/87/1025936787.db2.gz LQEUIINMCOBIDH-TZMCWYRMSA-N 1 2 335.810 3.629 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C)c2O)c(C)c1 ZINC000436611075 1025943527 /nfs/dbraw/zinc/94/35/27/1025943527.db2.gz YNZQSBZICXHZSX-LJQANCHMSA-N 1 2 349.434 3.685 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000436627293 1025953817 /nfs/dbraw/zinc/95/38/17/1025953817.db2.gz SANJBMUSSCUNBZ-UHFFFAOYSA-N 1 2 343.471 3.949 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(F)cc1Br ZINC001141910802 1025962700 /nfs/dbraw/zinc/96/27/00/1025962700.db2.gz XMGGOEYPEYHTCM-ZUZCIYMTSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(F)cc1Br ZINC001141910802 1025962717 /nfs/dbraw/zinc/96/27/17/1025962717.db2.gz XMGGOEYPEYHTCM-ZUZCIYMTSA-N 1 2 346.215 3.728 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCn2ccc3cc(Cl)ccc32)[nH+]c1C ZINC000896912991 1025963481 /nfs/dbraw/zinc/96/34/81/1025963481.db2.gz KFTIDIXMRZCSPU-UHFFFAOYSA-N 1 2 344.846 3.731 20 0 EHADLO CC(C)(C)OCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000530505324 1025967055 /nfs/dbraw/zinc/96/70/55/1025967055.db2.gz NITORPURMKGCQV-KRWDZBQOSA-N 1 2 327.415 3.933 20 0 EHADLO CC(C)(C)OCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000530505324 1025967065 /nfs/dbraw/zinc/96/70/65/1025967065.db2.gz NITORPURMKGCQV-KRWDZBQOSA-N 1 2 327.415 3.933 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)s1 ZINC000530519187 1025975408 /nfs/dbraw/zinc/97/54/08/1025975408.db2.gz WSUBYKABVJPBSA-WBMJQRKESA-N 1 2 339.468 3.760 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)no1 ZINC000451506156 1026024895 /nfs/dbraw/zinc/02/48/95/1026024895.db2.gz UIIRSRFIENHUCK-CVEARBPZSA-N 1 2 329.444 3.667 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2nccc(OCc3ccccc3)n2)[nH+]c1C ZINC000895191509 1026083807 /nfs/dbraw/zinc/08/38/07/1026083807.db2.gz AHKKGJCUGHADNL-KRWDZBQOSA-N 1 2 349.438 3.737 20 0 EHADLO Cc1cc2nc(N3CCC[C@H]3c3[nH]c(C)c(C)[nH+]3)c3ccccc3n2n1 ZINC000895194190 1026091047 /nfs/dbraw/zinc/09/10/47/1026091047.db2.gz XONNTAYCFZERDM-KRWDZBQOSA-N 1 2 346.438 3.872 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)[nH+]c1C ZINC000895194494 1026092667 /nfs/dbraw/zinc/09/26/67/1026092667.db2.gz ZEJZYSFUCBELEF-OAHLLOKOSA-N 1 2 329.354 3.589 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2ccccc2cc1O ZINC000436736534 1026102514 /nfs/dbraw/zinc/10/25/14/1026102514.db2.gz IXPFUAKNTZGZCR-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO CO[C@H]1CCC[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821871 1026106878 /nfs/dbraw/zinc/10/68/78/1026106878.db2.gz WPXQYGNILSCXHX-WBVHZDCISA-N 1 2 338.411 3.519 20 0 EHADLO FC1(F)CC[C@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896822056 1026107554 /nfs/dbraw/zinc/10/75/54/1026107554.db2.gz ZBENULKUZLUHMX-ZDUSSCGKSA-N 1 2 330.338 3.749 20 0 EHADLO CC(C)(C)c1cc(C(=O)NCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000436744907 1026114090 /nfs/dbraw/zinc/11/40/90/1026114090.db2.gz QSQOOBDRJNVBTQ-UHFFFAOYSA-N 1 2 343.471 3.614 20 0 EHADLO CC[C@@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000451598516 1026152005 /nfs/dbraw/zinc/15/20/05/1026152005.db2.gz OSAWYGDBEFVGSC-NVXWUHKLSA-N 1 2 331.847 3.611 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1coc(-c2ccccc2)n1 ZINC000155841036 1026181433 /nfs/dbraw/zinc/18/14/33/1026181433.db2.gz YBJCBGTXIFPEDF-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000530666270 1026183105 /nfs/dbraw/zinc/18/31/05/1026183105.db2.gz RZROQQPVVKSOMS-SFHVURJKSA-N 1 2 346.858 3.745 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000530666270 1026183114 /nfs/dbraw/zinc/18/31/14/1026183114.db2.gz RZROQQPVVKSOMS-SFHVURJKSA-N 1 2 346.858 3.745 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000475127149 1026221285 /nfs/dbraw/zinc/22/12/85/1026221285.db2.gz HUPZPGBVAPZZDD-PMACEKPBSA-N 1 2 345.483 3.826 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000475127149 1026221297 /nfs/dbraw/zinc/22/12/97/1026221297.db2.gz HUPZPGBVAPZZDD-PMACEKPBSA-N 1 2 345.483 3.826 20 0 EHADLO Cc1cc([C@H]([NH2+]Cc2cnnn2C)c2ccccc2Cl)ccc1F ZINC000530714083 1026221475 /nfs/dbraw/zinc/22/14/75/1026221475.db2.gz JOIKMAOSMUWMOR-SFHVURJKSA-N 1 2 344.821 3.795 20 0 EHADLO COc1cc2c(cc1C[NH2+]C(C)(C)c1ncc(C)s1)O[C@H](C)C2 ZINC000530714299 1026222557 /nfs/dbraw/zinc/22/25/57/1026222557.db2.gz UFBGBPGBANSEDM-LLVKDONJSA-N 1 2 332.469 3.808 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)o2)cc1 ZINC000475128478 1026224890 /nfs/dbraw/zinc/22/48/90/1026224890.db2.gz ICGDLKMKLUMWDF-RTBURBONSA-N 1 2 339.435 3.825 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)o2)cc1 ZINC000475128478 1026224899 /nfs/dbraw/zinc/22/48/99/1026224899.db2.gz ICGDLKMKLUMWDF-RTBURBONSA-N 1 2 339.435 3.825 20 0 EHADLO O=C1[C@@H]([NH+]2CC(c3nc4ccccc4s3)C2)CCN1c1ccccc1 ZINC000342548799 1026249251 /nfs/dbraw/zinc/24/92/51/1026249251.db2.gz LXCMCXMNJPJPPN-KRWDZBQOSA-N 1 2 349.459 3.501 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152524766 1026286850 /nfs/dbraw/zinc/28/68/50/1026286850.db2.gz SEOGPIMWHQLRQS-LPHOPBHVSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCOCC23CCCCC3)c(C)c1 ZINC000451811978 1026296017 /nfs/dbraw/zinc/29/60/17/1026296017.db2.gz GHSQZSDYKYAQAW-UHFFFAOYSA-N 1 2 330.472 3.585 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCOCC23CCCCC3)c(C)c1 ZINC000451811978 1026296028 /nfs/dbraw/zinc/29/60/28/1026296028.db2.gz GHSQZSDYKYAQAW-UHFFFAOYSA-N 1 2 330.472 3.585 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C[C@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091537 1026308395 /nfs/dbraw/zinc/30/83/95/1026308395.db2.gz UFRRDEAIWVFORA-OXJNMPFZSA-N 1 2 349.434 3.829 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C[C@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091537 1026308406 /nfs/dbraw/zinc/30/84/06/1026308406.db2.gz UFRRDEAIWVFORA-OXJNMPFZSA-N 1 2 349.434 3.829 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1F ZINC000451851075 1026322429 /nfs/dbraw/zinc/32/24/29/1026322429.db2.gz ITHOYDBPLDSWKG-KRWDZBQOSA-N 1 2 329.371 3.933 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1F ZINC000451851075 1026322442 /nfs/dbraw/zinc/32/24/42/1026322442.db2.gz ITHOYDBPLDSWKG-KRWDZBQOSA-N 1 2 329.371 3.933 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110047 1026370845 /nfs/dbraw/zinc/37/08/45/1026370845.db2.gz DACCMJRUZHYAAS-IAGOWNOFSA-N 1 2 341.455 3.927 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110047 1026370854 /nfs/dbraw/zinc/37/08/54/1026370854.db2.gz DACCMJRUZHYAAS-IAGOWNOFSA-N 1 2 341.455 3.927 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913935 1026377806 /nfs/dbraw/zinc/37/78/06/1026377806.db2.gz TYMRJTMHKLNVDX-WCQYABFASA-N 1 2 334.407 3.546 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913935 1026377816 /nfs/dbraw/zinc/37/78/16/1026377816.db2.gz TYMRJTMHKLNVDX-WCQYABFASA-N 1 2 334.407 3.546 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(Cc3nc(C)no3)cc2)c1C ZINC000897114148 1026380418 /nfs/dbraw/zinc/38/04/18/1026380418.db2.gz RJGKXRCSNAOAMT-UHFFFAOYSA-N 1 2 338.411 3.601 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451963426 1026401942 /nfs/dbraw/zinc/40/19/42/1026401942.db2.gz ZJTPMFLHZWXDIA-UHFFFAOYSA-N 1 2 348.441 3.729 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)s1 ZINC000277644216 1026414144 /nfs/dbraw/zinc/41/41/44/1026414144.db2.gz ZRGUCGVKCYXLOD-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)[nH+]c12 ZINC000530959139 1026435273 /nfs/dbraw/zinc/43/52/73/1026435273.db2.gz VNWGCMUWWMWHDG-LPHOPBHVSA-N 1 2 333.435 3.590 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000582524920 1026497862 /nfs/dbraw/zinc/49/78/62/1026497862.db2.gz HFHDCKLKAIRYAH-UHFFFAOYSA-N 1 2 334.448 3.889 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000582524920 1026497867 /nfs/dbraw/zinc/49/78/67/1026497867.db2.gz HFHDCKLKAIRYAH-UHFFFAOYSA-N 1 2 334.448 3.889 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000897212902 1026501219 /nfs/dbraw/zinc/50/12/19/1026501219.db2.gz BAKIZNFWAFSPAF-HZPDHXFCSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000897212902 1026501222 /nfs/dbraw/zinc/50/12/22/1026501222.db2.gz BAKIZNFWAFSPAF-HZPDHXFCSA-N 1 2 336.838 3.531 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000475383289 1026544837 /nfs/dbraw/zinc/54/48/37/1026544837.db2.gz MAGSUPDFVMCUBE-GOSISDBHSA-N 1 2 340.471 3.979 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(F)ccc2OC(F)F)o1 ZINC000657473200 1026629396 /nfs/dbraw/zinc/62/93/96/1026629396.db2.gz HAFKGUVVBGPXOU-UHFFFAOYSA-N 1 2 328.334 3.966 20 0 EHADLO c1cn(CCNc2nc(C3CC3)nc3sc4c(c32)CCCC4)c[nH+]1 ZINC000301127915 1026695522 /nfs/dbraw/zinc/69/55/22/1026695522.db2.gz VRMDXPJMDFCUJQ-UHFFFAOYSA-N 1 2 339.468 3.756 20 0 EHADLO Cc1nc2sc3c(c2c(NC[C@@H](C)Cn2cc[nH+]c2)n1)CCCC3 ZINC000301149908 1026702544 /nfs/dbraw/zinc/70/25/44/1026702544.db2.gz JFQWUHVSUZJDIC-GFCCVEGCSA-N 1 2 341.484 3.823 20 0 EHADLO Cc1ncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000277730362 1026720978 /nfs/dbraw/zinc/72/09/78/1026720978.db2.gz PGMLNGRDARKZOC-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452418824 1026737831 /nfs/dbraw/zinc/73/78/31/1026737831.db2.gz KSCSYFMBKGFHOW-RTBURBONSA-N 1 2 339.483 3.807 20 0 EHADLO CCc1cc(N2CCC[C@@H]2c2ccc(OC)cc2OC)nc(C)[nH+]1 ZINC000301372409 1026780305 /nfs/dbraw/zinc/78/03/05/1026780305.db2.gz VTVQCUHSBUNUNS-QGZVFWFLSA-N 1 2 327.428 3.706 20 0 EHADLO Cc1cc(CNc2cccc(N3CCOCC3)c2)c2c([nH+]1)CCCC2 ZINC000892272045 1026795376 /nfs/dbraw/zinc/79/53/76/1026795376.db2.gz CNFIBBQTSGKKGF-UHFFFAOYSA-N 1 2 337.467 3.718 20 0 EHADLO Cc1[nH+]ccn1CCCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000342710843 1026805699 /nfs/dbraw/zinc/80/56/99/1026805699.db2.gz UWKZOHLYGLIDKN-UHFFFAOYSA-N 1 2 339.468 3.648 20 0 EHADLO Cc1cc(Br)cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301576095 1026860430 /nfs/dbraw/zinc/86/04/30/1026860430.db2.gz ZWUNXVHALHKFBJ-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000531378477 1026865449 /nfs/dbraw/zinc/86/54/49/1026865449.db2.gz OMLGOAOVYCYODL-ZDUSSCGKSA-N 1 2 344.842 3.906 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000531378477 1026865461 /nfs/dbraw/zinc/86/54/61/1026865461.db2.gz OMLGOAOVYCYODL-ZDUSSCGKSA-N 1 2 344.842 3.906 20 0 EHADLO CCN(CC(=O)Nc1c(C)cccc1C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301626634 1026879856 /nfs/dbraw/zinc/87/98/56/1026879856.db2.gz AWMFSUMLTFNLFT-UHFFFAOYSA-N 1 2 340.471 3.990 20 0 EHADLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000159217447 1026899096 /nfs/dbraw/zinc/89/90/96/1026899096.db2.gz RGPFTAMJGFMTJX-CQSZACIVSA-N 1 2 330.432 3.518 20 0 EHADLO Cc1cc(NCc2ccc(O)c(Br)c2)nc(C(C)C)[nH+]1 ZINC000301699020 1026906126 /nfs/dbraw/zinc/90/61/26/1026906126.db2.gz OQMJIDMCHCCYDC-UHFFFAOYSA-N 1 2 336.233 3.989 20 0 EHADLO C[C@H]1C[C@@]1(NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000582676876 1026917966 /nfs/dbraw/zinc/91/79/66/1026917966.db2.gz LQZXZJZAUDCUJG-KSSFIOAISA-N 1 2 346.862 3.551 20 0 EHADLO Cc1csc(N2CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000301834179 1026956986 /nfs/dbraw/zinc/95/69/86/1026956986.db2.gz VNNZAJPVLYRQLH-UHFFFAOYSA-N 1 2 345.516 3.815 20 0 EHADLO Cn1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)n1 ZINC000531535645 1027014713 /nfs/dbraw/zinc/01/47/13/1027014713.db2.gz NNZATFHDAXSRFL-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)Cc1cnccn1 ZINC000342782181 1027026939 /nfs/dbraw/zinc/02/69/39/1027026939.db2.gz OFOJSZVWKUZCKB-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)Cc1cnccn1 ZINC000342782181 1027026945 /nfs/dbraw/zinc/02/69/45/1027026945.db2.gz OFOJSZVWKUZCKB-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO Cc1nc2c(s1)[C@H](N(C)c1nc(C)[nH+]c3c1CCCC3)CCC2 ZINC000302055537 1027037375 /nfs/dbraw/zinc/03/73/75/1027037375.db2.gz QJRCJQILJVHDOY-MRXNPFEDSA-N 1 2 328.485 3.943 20 0 EHADLO Cc1nc(N(C)Cc2nc(-c3ccccc3)c[nH]2)c2c([nH+]1)CCCC2 ZINC000302081616 1027047977 /nfs/dbraw/zinc/04/79/77/1027047977.db2.gz JGAMBZIKVOLYGS-UHFFFAOYSA-N 1 2 333.439 3.690 20 0 EHADLO CCO[C@@H](C)c1nc(CN(C)c2nc(C)[nH+]c3c2CCCC3)cs1 ZINC000302081158 1027048414 /nfs/dbraw/zinc/04/84/14/1027048414.db2.gz JDAWXXHNAPJWSP-LBPRGKRZSA-N 1 2 346.500 3.854 20 0 EHADLO C[C@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000531581214 1027069232 /nfs/dbraw/zinc/06/92/32/1027069232.db2.gz YPSGJIHJGCJVJJ-RFXRWBHQSA-N 1 2 341.430 3.626 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](C3(C)OCCO3)C2)nc(C(C)C)[nH+]1 ZINC000302163490 1027075069 /nfs/dbraw/zinc/07/50/69/1027075069.db2.gz OKSKJZCWVAYHSK-OAHLLOKOSA-N 1 2 333.476 3.703 20 0 EHADLO Fc1cccc(CNc2cc(NCc3cccc(F)c3)[nH+]cn2)c1 ZINC000302240408 1027107548 /nfs/dbraw/zinc/10/75/48/1027107548.db2.gz NGKYHCNAEIUSKW-UHFFFAOYSA-N 1 2 326.350 3.979 20 0 EHADLO Cc1nc(N2Cc3cccc(Br)c3C2)c2c([nH+]1)CCCC2 ZINC000302247003 1027109852 /nfs/dbraw/zinc/10/98/52/1027109852.db2.gz KZWMDTUUUBJYPG-UHFFFAOYSA-N 1 2 344.256 3.947 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2cc(N[C@@H]3CC[C@H](SC)C3)nc[nH+]2)C1 ZINC000302258019 1027112793 /nfs/dbraw/zinc/11/27/93/1027112793.db2.gz BHXKUEKAXYBMQU-LVEBTZEWSA-N 1 2 338.546 3.869 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2cc(N[C@@H]3CC[C@H](SC)C3)[nH+]cn2)C1 ZINC000302258019 1027112802 /nfs/dbraw/zinc/11/28/02/1027112802.db2.gz BHXKUEKAXYBMQU-LVEBTZEWSA-N 1 2 338.546 3.869 20 0 EHADLO CC(C)C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302388828 1027138621 /nfs/dbraw/zinc/13/86/21/1027138621.db2.gz FNVSCOGEIYGGDU-CABCVRRESA-N 1 2 331.464 3.587 20 0 EHADLO CCCN(Cc1[nH+]cc(C)n1C)Cc1ccccc1Br ZINC000342801175 1027156456 /nfs/dbraw/zinc/15/64/56/1027156456.db2.gz WFPPYMBIJZNUAJ-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000302449942 1027156441 /nfs/dbraw/zinc/15/64/41/1027156441.db2.gz SRHJDWVEONASKZ-UHFFFAOYSA-N 1 2 349.356 3.817 20 0 EHADLO O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551897 1027168312 /nfs/dbraw/zinc/16/83/12/1027168312.db2.gz DXTHDLUIODLRPZ-GFCCVEGCSA-N 1 2 340.814 3.631 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552928 1027169224 /nfs/dbraw/zinc/16/92/24/1027169224.db2.gz SEYVPOBVTZVAEK-NWANDNLSSA-N 1 2 329.831 3.573 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555588 1027170902 /nfs/dbraw/zinc/17/09/02/1027170902.db2.gz RBJFUFLXZFBNAE-LLVKDONJSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c(C)[nH+]1 ZINC000419778333 1027178049 /nfs/dbraw/zinc/17/80/49/1027178049.db2.gz HHRHYACDTJYKDX-CVEARBPZSA-N 1 2 345.487 3.619 20 0 EHADLO COc1cccc2c(N(C)Cc3ccc([S@](C)=O)cc3)cc[nH+]c12 ZINC000302536990 1027182975 /nfs/dbraw/zinc/18/29/75/1027182975.db2.gz MUCACQWPOKNDLR-DEOSSOPVSA-N 1 2 340.448 3.617 20 0 EHADLO CCCC[C@H](CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000075635214 1027183762 /nfs/dbraw/zinc/18/37/62/1027183762.db2.gz ULPQUGLXOJZALI-SFHVURJKSA-N 1 2 327.472 3.807 20 0 EHADLO Cc1nc(N[C@H](C)c2ccc([S@@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272936446 1027186150 /nfs/dbraw/zinc/18/61/50/1027186150.db2.gz WHQODLJGMVXWFC-SFDCACGMSA-N 1 2 329.469 3.574 20 0 EHADLO COc1cccc2c(NCc3cccnc3OCC(F)F)cc[nH+]c12 ZINC000302567739 1027199669 /nfs/dbraw/zinc/19/96/69/1027199669.db2.gz XJQPXLCRXLXHTO-UHFFFAOYSA-N 1 2 345.349 3.894 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141449 1027200024 /nfs/dbraw/zinc/20/00/24/1027200024.db2.gz JJOAWKGIVMIJDM-RHSMWYFYSA-N 1 2 343.446 3.807 20 0 EHADLO C[C@@H]1C[C@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141449 1027200037 /nfs/dbraw/zinc/20/00/37/1027200037.db2.gz JJOAWKGIVMIJDM-RHSMWYFYSA-N 1 2 343.446 3.807 20 0 EHADLO O=C(Nc1ccsc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126501368 1027210640 /nfs/dbraw/zinc/21/06/40/1027210640.db2.gz GUCWHUHZMIBZMR-IRXDYDNUSA-N 1 2 338.436 3.995 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CC[S@@](=O)c2ccccc2)[C@H](C)CO1 ZINC000075785448 1027225013 /nfs/dbraw/zinc/22/50/13/1027225013.db2.gz RUBYJTPHKWAFPQ-YQOVMPOYSA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)[C@H](C)CO1 ZINC000075785448 1027225030 /nfs/dbraw/zinc/22/50/30/1027225030.db2.gz RUBYJTPHKWAFPQ-YQOVMPOYSA-N 1 2 343.492 3.565 20 0 EHADLO CC(C)OCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000273029252 1027232603 /nfs/dbraw/zinc/23/26/03/1027232603.db2.gz RVYAXXUXXPTNCS-UHFFFAOYSA-N 1 2 339.439 3.746 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000076176434 1027256996 /nfs/dbraw/zinc/25/69/96/1027256996.db2.gz KATVCUUJHOTVKJ-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000076176434 1027257010 /nfs/dbraw/zinc/25/70/10/1027257010.db2.gz KATVCUUJHOTVKJ-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CCO2)c1 ZINC000513714092 1027263824 /nfs/dbraw/zinc/26/38/24/1027263824.db2.gz YBFOLHVDQZNKCS-QMIHWGKISA-N 1 2 327.424 3.985 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CCO2)c1 ZINC000513714092 1027263842 /nfs/dbraw/zinc/26/38/42/1027263842.db2.gz YBFOLHVDQZNKCS-QMIHWGKISA-N 1 2 327.424 3.985 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000076341910 1027274960 /nfs/dbraw/zinc/27/49/60/1027274960.db2.gz SFVLPZYVTJVDBE-INIZCTEOSA-N 1 2 349.434 3.773 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248449185 1027298120 /nfs/dbraw/zinc/29/81/20/1027298120.db2.gz ICPYPAKDLMGZLA-SWLSCSKDSA-N 1 2 333.407 3.721 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248449185 1027298137 /nfs/dbraw/zinc/29/81/37/1027298137.db2.gz ICPYPAKDLMGZLA-SWLSCSKDSA-N 1 2 333.407 3.721 20 0 EHADLO O=S(=O)(c1ccccc1F)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127368595 1027301808 /nfs/dbraw/zinc/30/18/08/1027301808.db2.gz OQOPXVLWQXTUFP-UHFFFAOYSA-N 1 2 342.395 3.616 20 0 EHADLO CC(C)c1noc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804814 1027302350 /nfs/dbraw/zinc/30/23/50/1027302350.db2.gz FHTAISVFBANQBN-ZIAGYGMSSA-N 1 2 338.814 3.843 20 0 EHADLO CC(C)c1noc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804814 1027302370 /nfs/dbraw/zinc/30/23/70/1027302370.db2.gz FHTAISVFBANQBN-ZIAGYGMSSA-N 1 2 338.814 3.843 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C2CC2)cc1 ZINC000302804158 1027303461 /nfs/dbraw/zinc/30/34/61/1027303461.db2.gz VTEOSDIRNSKWMQ-SFHVURJKSA-N 1 2 326.469 3.593 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C2CC2)cc1 ZINC000302804158 1027303478 /nfs/dbraw/zinc/30/34/78/1027303478.db2.gz VTEOSDIRNSKWMQ-SFHVURJKSA-N 1 2 326.469 3.593 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000123452825 1027313540 /nfs/dbraw/zinc/31/35/40/1027313540.db2.gz ZFSNFLCWLBXHIO-PKOBYXMFSA-N 1 2 347.422 3.637 20 0 EHADLO CC1(C)CC[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)c2ccccc21 ZINC000302874180 1027338355 /nfs/dbraw/zinc/33/83/55/1027338355.db2.gz DDWZBTYWXSHONG-QGZVFWFLSA-N 1 2 338.455 3.538 20 0 EHADLO CC1(C)CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)c2ccccc21 ZINC000302874180 1027338363 /nfs/dbraw/zinc/33/83/63/1027338363.db2.gz DDWZBTYWXSHONG-QGZVFWFLSA-N 1 2 338.455 3.538 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OC)cn1)c1nc(C(F)(F)F)cs1 ZINC000273253334 1027338559 /nfs/dbraw/zinc/33/85/59/1027338559.db2.gz HCEZOQAWOOYYIA-NSHDSACASA-N 1 2 331.363 3.806 20 0 EHADLO CC(C)(C)c1ccc([C@H](O)CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302918715 1027362205 /nfs/dbraw/zinc/36/22/05/1027362205.db2.gz XZVMCFJUGMGBNU-QGZVFWFLSA-N 1 2 340.471 3.520 20 0 EHADLO CC(C)(C)c1ccc([C@H](O)CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302918715 1027362220 /nfs/dbraw/zinc/36/22/20/1027362220.db2.gz XZVMCFJUGMGBNU-QGZVFWFLSA-N 1 2 340.471 3.520 20 0 EHADLO COC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000453105427 1027369083 /nfs/dbraw/zinc/36/90/83/1027369083.db2.gz BTEPCKFMHAEJAT-UGFHNGPFSA-N 1 2 339.361 3.885 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3nnc4n3CCCC4)c(C)c2c1 ZINC000273314302 1027373084 /nfs/dbraw/zinc/37/30/84/1027373084.db2.gz PQSABVSODAGVRC-ZDUSSCGKSA-N 1 2 340.427 3.528 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1nc(C(F)(F)F)cs1 ZINC000273329642 1027377577 /nfs/dbraw/zinc/37/75/77/1027377577.db2.gz UGXJCBMZEQYBIX-JTQLQIEISA-N 1 2 331.363 3.806 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000273369932 1027398492 /nfs/dbraw/zinc/39/84/92/1027398492.db2.gz KTXBYMCIQOQKJP-WDEREUQCSA-N 1 2 331.807 3.535 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122596 1027399809 /nfs/dbraw/zinc/39/98/09/1027399809.db2.gz QJFVCUUPQFWIRQ-MSEOUXRUSA-N 1 2 341.543 3.502 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000453129969 1027429644 /nfs/dbraw/zinc/42/96/44/1027429644.db2.gz FJDBICCKRHPTNE-SJLPKXTDSA-N 1 2 343.471 3.620 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077416426 1027440251 /nfs/dbraw/zinc/44/02/51/1027440251.db2.gz PZEZZPRBHQLHMK-FUHWJXTLSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ncc(-c2ccccc2)n1C ZINC000453138237 1027444789 /nfs/dbraw/zinc/44/47/89/1027444789.db2.gz HGMJVYVTOGWBHY-KBXCAEBGSA-N 1 2 339.414 3.610 20 0 EHADLO c1cn(CCCSc2nc(C3CC3)nn2-c2ccccc2)c[nH+]1 ZINC000273519581 1027470172 /nfs/dbraw/zinc/47/01/72/1027470172.db2.gz YITVWYHGIBOQBN-UHFFFAOYSA-N 1 2 325.441 3.524 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000128729385 1027472577 /nfs/dbraw/zinc/47/25/77/1027472577.db2.gz CTDKRYDYQGWXDH-INIZCTEOSA-N 1 2 337.467 3.722 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1Br ZINC000050515216 1027518948 /nfs/dbraw/zinc/51/89/48/1027518948.db2.gz UVMABBFIBBVOBN-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1Br ZINC000050515216 1027518962 /nfs/dbraw/zinc/51/89/62/1027518962.db2.gz UVMABBFIBBVOBN-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)[C@H]1C=CCCC1 ZINC000501786310 1027534146 /nfs/dbraw/zinc/53/41/46/1027534146.db2.gz POGACTXQGBYDHW-LSDHHAIUSA-N 1 2 338.245 3.704 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1C=CCCC1 ZINC000501786310 1027534157 /nfs/dbraw/zinc/53/41/57/1027534157.db2.gz POGACTXQGBYDHW-LSDHHAIUSA-N 1 2 338.245 3.704 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(Cc3ccc(C(C)(C)C)cc3)no2)C1 ZINC000420484565 1027550753 /nfs/dbraw/zinc/55/07/53/1027550753.db2.gz YVXHZFIPCOJDEG-KRWDZBQOSA-N 1 2 343.471 3.740 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(Cc3ccc(C(C)(C)C)cc3)no2)C1 ZINC000420484565 1027550762 /nfs/dbraw/zinc/55/07/62/1027550762.db2.gz YVXHZFIPCOJDEG-KRWDZBQOSA-N 1 2 343.471 3.740 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(CCCc3ccccc3Cl)no2)C1 ZINC000420485313 1027553811 /nfs/dbraw/zinc/55/38/11/1027553811.db2.gz HJDIXVIICPONKD-INIZCTEOSA-N 1 2 349.862 3.680 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(CCCc3ccccc3Cl)no2)C1 ZINC000420485313 1027553822 /nfs/dbraw/zinc/55/38/22/1027553822.db2.gz HJDIXVIICPONKD-INIZCTEOSA-N 1 2 349.862 3.680 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000342838900 1027559749 /nfs/dbraw/zinc/55/97/49/1027559749.db2.gz IQLFSKGAFKOGPH-UHFFFAOYSA-N 1 2 333.317 3.540 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4noc5c4CCCC5)n3)c2)c[nH+]1 ZINC000273686511 1027562075 /nfs/dbraw/zinc/56/20/75/1027562075.db2.gz DKEXNJXSLXDSBG-UHFFFAOYSA-N 1 2 347.378 3.515 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@@H](C)C1 ZINC001236850608 1125063166 /nfs/dbraw/zinc/06/31/66/1125063166.db2.gz GZUOJZIANNWPRW-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CCOCc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129608535 1027581475 /nfs/dbraw/zinc/58/14/75/1027581475.db2.gz YXOUHEIVQHHABC-YJBOKZPZSA-N 1 2 342.443 3.535 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881614 1027594683 /nfs/dbraw/zinc/59/46/83/1027594683.db2.gz VLYLXCUMIRKTNA-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881614 1027594692 /nfs/dbraw/zinc/59/46/92/1027594692.db2.gz VLYLXCUMIRKTNA-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO c1nc2cc(-c3noc([C@H]4CCC[N@H+]4Cc4ccccc4)n3)ccc2[nH]1 ZINC000273759520 1027603779 /nfs/dbraw/zinc/60/37/79/1027603779.db2.gz AWWVUHMKVXLYBA-GOSISDBHSA-N 1 2 345.406 3.950 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000129856940 1027609758 /nfs/dbraw/zinc/60/97/58/1027609758.db2.gz QHNROCRYKXXECW-MRXNPFEDSA-N 1 2 340.492 3.685 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000501877988 1027625108 /nfs/dbraw/zinc/62/51/08/1027625108.db2.gz WIBDHPJSRWHUOM-HUUCEWRRSA-N 1 2 342.508 3.935 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000501877988 1027625116 /nfs/dbraw/zinc/62/51/16/1027625116.db2.gz WIBDHPJSRWHUOM-HUUCEWRRSA-N 1 2 342.508 3.935 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N([C@@H](C)C(C)C)C3CC3)cn2c1 ZINC000513725718 1027682710 /nfs/dbraw/zinc/68/27/10/1027682710.db2.gz RSOZWSUUQVBNHW-HNNXBMFYSA-N 1 2 345.512 3.911 20 0 EHADLO Nc1cc(CNc2ccc(-c3ccc4ccccc4c3)nn2)cc[nH+]1 ZINC001167617659 1027719295 /nfs/dbraw/zinc/71/92/95/1027719295.db2.gz UXQAOEWZUBFGRY-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)c[nH+]1 ZINC000645533510 1027719998 /nfs/dbraw/zinc/71/99/98/1027719998.db2.gz QNFCVEUGMOBCFT-INIZCTEOSA-N 1 2 349.438 3.826 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000130960476 1027720161 /nfs/dbraw/zinc/72/01/61/1027720161.db2.gz YUZWPUVGTTYXDV-KSSFIOAISA-N 1 2 344.434 3.641 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000503337123 1027729471 /nfs/dbraw/zinc/72/94/71/1027729471.db2.gz LOASICCZMSVJCT-GOSISDBHSA-N 1 2 340.471 3.970 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131089757 1027735315 /nfs/dbraw/zinc/73/53/15/1027735315.db2.gz FSFZVMHZGPXWNC-QGZVFWFLSA-N 1 2 347.418 3.554 20 0 EHADLO CCCOCc1ccccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420801271 1027738801 /nfs/dbraw/zinc/73/88/01/1027738801.db2.gz OIHVVAGWFPVOQA-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc(C)[nH+]1 ZINC000420821765 1027757742 /nfs/dbraw/zinc/75/77/42/1027757742.db2.gz JBTXDEWXCDCYIQ-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO Cc1ccc2cccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)c2n1 ZINC000131296315 1027759363 /nfs/dbraw/zinc/75/93/63/1027759363.db2.gz OVHZQAICQDRIOZ-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1CC2(C1)CCCCC2 ZINC000665838131 1027769581 /nfs/dbraw/zinc/76/95/81/1027769581.db2.gz QYGAQPSYYCODJL-UHFFFAOYSA-N 1 2 337.467 3.908 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](CC(F)(F)F)C2)c[nH+]1 ZINC000420862446 1027779930 /nfs/dbraw/zinc/77/99/30/1027779930.db2.gz QDIJYTVYEIXEKA-ZDUSSCGKSA-N 1 2 329.366 3.572 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000420847960 1027788921 /nfs/dbraw/zinc/78/89/21/1027788921.db2.gz LHEQJKUSMOYHKS-KRWDZBQOSA-N 1 2 327.403 3.537 20 0 EHADLO CC1(C)C[C@@]1(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000665843971 1027791988 /nfs/dbraw/zinc/79/19/88/1027791988.db2.gz CRAXFDKPMXOSPB-QFIPXVFZSA-N 1 2 349.478 3.666 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000420849871 1027792248 /nfs/dbraw/zinc/79/22/48/1027792248.db2.gz OVXFIPDWLWZVFK-OAQYLSRUSA-N 1 2 337.467 3.880 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420851779 1027794641 /nfs/dbraw/zinc/79/46/41/1027794641.db2.gz RCRIVZCFBFVHNP-FQEVSTJZSA-N 1 2 341.430 3.711 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc(C)[nH+]1 ZINC000420851379 1027795935 /nfs/dbraw/zinc/79/59/35/1027795935.db2.gz QVMPSGBQHGZUFF-LJQANCHMSA-N 1 2 340.471 3.634 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1OC ZINC000582812241 1027811207 /nfs/dbraw/zinc/81/12/07/1027811207.db2.gz BYPHIDALFLKOKA-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1OC ZINC000582812241 1027811229 /nfs/dbraw/zinc/81/12/29/1027811229.db2.gz BYPHIDALFLKOKA-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc([C@@H]4CCc5ccccc5C4)no3)cn2c1 ZINC000866932204 1027854475 /nfs/dbraw/zinc/85/44/75/1027854475.db2.gz KRRLASLDDKHLTI-OAHLLOKOSA-N 1 2 348.381 3.720 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)c(OC)c1 ZINC000110203384 1027855461 /nfs/dbraw/zinc/85/54/61/1027855461.db2.gz LRNOHZIYESYJOV-AWEZNQCLSA-N 1 2 342.443 3.657 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)c(OC)c1 ZINC000110203384 1027855481 /nfs/dbraw/zinc/85/54/81/1027855481.db2.gz LRNOHZIYESYJOV-AWEZNQCLSA-N 1 2 342.443 3.657 20 0 EHADLO Cc1cc(CNC(=O)NCC2(c3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000420917717 1027865839 /nfs/dbraw/zinc/86/58/39/1027865839.db2.gz NYKNAFNYAZSSRF-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)n1 ZINC000420916299 1027896946 /nfs/dbraw/zinc/89/69/46/1027896946.db2.gz OGNHPQYIIWKYEY-UHFFFAOYSA-N 1 2 333.863 3.502 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)n1 ZINC000420916299 1027896966 /nfs/dbraw/zinc/89/69/66/1027896966.db2.gz OGNHPQYIIWKYEY-UHFFFAOYSA-N 1 2 333.863 3.502 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000132270697 1027905104 /nfs/dbraw/zinc/90/51/04/1027905104.db2.gz RLRMEXHEFRLBKK-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(Nc1cccc(Nc2ccccc2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132381353 1027917032 /nfs/dbraw/zinc/91/70/32/1027917032.db2.gz LLLFGZIHPITLTA-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO CC[C@@H]1C[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@@H](CC)O1 ZINC000420964661 1027935244 /nfs/dbraw/zinc/93/52/44/1027935244.db2.gz XDIQDQPXYDOZCE-USXIJHARSA-N 1 2 329.444 3.995 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132731755 1027958664 /nfs/dbraw/zinc/95/86/64/1027958664.db2.gz XSMWKFCVISPTQL-OAHLLOKOSA-N 1 2 343.496 3.525 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010053 1027961698 /nfs/dbraw/zinc/96/16/98/1027961698.db2.gz ITZTVLJWRMRJLQ-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010053 1027961716 /nfs/dbraw/zinc/96/17/16/1027961716.db2.gz ITZTVLJWRMRJLQ-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC[C@@]34CCOC4)co2)cc1 ZINC000421011295 1027964229 /nfs/dbraw/zinc/96/42/29/1027964229.db2.gz DJTGUQOOUGRTHU-INIZCTEOSA-N 1 2 338.329 3.725 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC[C@@]34CCOC4)co2)cc1 ZINC000421011295 1027964242 /nfs/dbraw/zinc/96/42/42/1027964242.db2.gz DJTGUQOOUGRTHU-INIZCTEOSA-N 1 2 338.329 3.725 20 0 EHADLO OC[C@@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342887 1027992085 /nfs/dbraw/zinc/99/20/85/1027992085.db2.gz FWQLMEHBCQJAJO-HUUCEWRRSA-N 1 2 340.448 3.829 20 0 EHADLO OC[C@@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342887 1027992091 /nfs/dbraw/zinc/99/20/91/1027992091.db2.gz FWQLMEHBCQJAJO-HUUCEWRRSA-N 1 2 340.448 3.829 20 0 EHADLO CCCOc1cccc2c(N[C@@H]3CCOC34CCOCC4)cc[nH+]c12 ZINC000897326429 1027998114 /nfs/dbraw/zinc/99/81/14/1027998114.db2.gz HAYNOSQMDODLIB-GOSISDBHSA-N 1 2 342.439 3.774 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934966 1028003299 /nfs/dbraw/zinc/00/32/99/1028003299.db2.gz YXCMGXCNXLVNCN-QMTHXVAHSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934966 1028003319 /nfs/dbraw/zinc/00/33/19/1028003319.db2.gz YXCMGXCNXLVNCN-QMTHXVAHSA-N 1 2 346.374 3.538 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018912 1028005210 /nfs/dbraw/zinc/00/52/10/1028005210.db2.gz MVHYNYBAAYXEIG-HIFRSBDPSA-N 1 2 349.475 3.527 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018912 1028005217 /nfs/dbraw/zinc/00/52/17/1028005217.db2.gz MVHYNYBAAYXEIG-HIFRSBDPSA-N 1 2 349.475 3.527 20 0 EHADLO C[C@H](C(=O)Nc1nc(C2CCC2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000444524421 1028009360 /nfs/dbraw/zinc/00/93/60/1028009360.db2.gz IDFIKIPETZHKDS-CYBMUJFWSA-N 1 2 341.480 3.796 20 0 EHADLO C[C@H](C(=O)Nc1nc(C2CCC2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000444524421 1028009375 /nfs/dbraw/zinc/00/93/75/1028009375.db2.gz IDFIKIPETZHKDS-CYBMUJFWSA-N 1 2 341.480 3.796 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1F ZINC000657672766 1028025285 /nfs/dbraw/zinc/02/52/85/1028025285.db2.gz HQBGMDKJLCUDRE-UHFFFAOYSA-N 1 2 330.403 3.841 20 0 EHADLO CCN(CC)C(=O)C1([NH2+]Cc2ncc(C(C)(C)C)o2)CCCCC1 ZINC000533519163 1028036800 /nfs/dbraw/zinc/03/68/00/1028036800.db2.gz SIAKPMZSECYFLT-UHFFFAOYSA-N 1 2 335.492 3.633 20 0 EHADLO C[NH2+]Cc1noc(C(C)(C)Sc2ccc(Br)cc2)n1 ZINC000414494669 1028040646 /nfs/dbraw/zinc/04/06/46/1028040646.db2.gz AKEQFFWTWKREHQ-UHFFFAOYSA-N 1 2 342.262 3.579 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)oc21 ZINC000277940174 1028042958 /nfs/dbraw/zinc/04/29/58/1028042958.db2.gz DXNQSGMYMVWBNR-GOEBONIOSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)oc21 ZINC000277940174 1028042976 /nfs/dbraw/zinc/04/29/76/1028042976.db2.gz DXNQSGMYMVWBNR-GOEBONIOSA-N 1 2 339.395 3.717 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277951631 1028091594 /nfs/dbraw/zinc/09/15/94/1028091594.db2.gz LCSVWDKSMUJVEG-OAHLLOKOSA-N 1 2 349.434 3.736 20 0 EHADLO Fc1cccc2c1CC[N@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000342915039 1028104396 /nfs/dbraw/zinc/10/43/96/1028104396.db2.gz CVVXPRMZIDLSDT-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO Fc1cccc2c1CC[N@@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000342915039 1028104404 /nfs/dbraw/zinc/10/44/04/1028104404.db2.gz CVVXPRMZIDLSDT-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCCc2ccccc2)c1C ZINC000052802492 1028130665 /nfs/dbraw/zinc/13/06/65/1028130665.db2.gz LMROEJLEGZMBOK-UHFFFAOYSA-N 1 2 326.440 3.581 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCCc2ccccc2)c1C ZINC000052802492 1028130686 /nfs/dbraw/zinc/13/06/86/1028130686.db2.gz LMROEJLEGZMBOK-UHFFFAOYSA-N 1 2 326.440 3.581 20 0 EHADLO O=C(CCC(=O)c1ccc(F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926412 1028140382 /nfs/dbraw/zinc/14/03/82/1028140382.db2.gz CMQABAVWXZNYJN-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696537 1028169519 /nfs/dbraw/zinc/16/95/19/1028169519.db2.gz VVBYCEZBYNDAEK-GJZGRUSLSA-N 1 2 346.421 3.705 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696537 1028169527 /nfs/dbraw/zinc/16/95/27/1028169527.db2.gz VVBYCEZBYNDAEK-GJZGRUSLSA-N 1 2 346.421 3.705 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)c(F)c1 ZINC000444703941 1028179858 /nfs/dbraw/zinc/17/98/58/1028179858.db2.gz KNHIDZNZJCJGCI-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)c(F)c1 ZINC000444703941 1028179867 /nfs/dbraw/zinc/17/98/67/1028179867.db2.gz KNHIDZNZJCJGCI-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(C)[nH+]1 ZINC000455471792 1028202447 /nfs/dbraw/zinc/20/24/47/1028202447.db2.gz BIZRHCPDFRAAOX-QAPCUYQASA-N 1 2 339.439 3.863 20 0 EHADLO CCO[C@@H]1C[C@]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)(C(=O)OC)C1(C)C ZINC000444758957 1028220040 /nfs/dbraw/zinc/22/00/40/1028220040.db2.gz GXCICDLVIKEEBM-OLMMMNRUSA-N 1 2 325.493 3.539 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)COc2cccc(F)c2)c(C)[nH+]1 ZINC000455460110 1028221779 /nfs/dbraw/zinc/22/17/79/1028221779.db2.gz AIYSWXVHDIHKBJ-CYBMUJFWSA-N 1 2 331.391 3.735 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1F ZINC000444740962 1028226594 /nfs/dbraw/zinc/22/65/94/1028226594.db2.gz COPAWZGOTUAXRG-LJQANCHMSA-N 1 2 344.405 3.725 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1F ZINC000444740962 1028226601 /nfs/dbraw/zinc/22/66/01/1028226601.db2.gz COPAWZGOTUAXRG-LJQANCHMSA-N 1 2 344.405 3.725 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c(C)[nH+]1 ZINC000455497466 1028229699 /nfs/dbraw/zinc/22/96/99/1028229699.db2.gz QFJMJXLWIBNEFH-MRXNPFEDSA-N 1 2 329.448 3.649 20 0 EHADLO CC(C)(C)Cc1nc2cc(NC(=O)[C@H]([NH3+])c3cscn3)ccc2o1 ZINC000423164710 1028238007 /nfs/dbraw/zinc/23/80/07/1028238007.db2.gz OYOSZLOIQUGSHR-OAHLLOKOSA-N 1 2 344.440 3.511 20 0 EHADLO O=C(NC1CC[NH+](Cc2csc(C3CC3)n2)CC1)C1CCCCC1 ZINC000136115410 1028238831 /nfs/dbraw/zinc/23/88/31/1028238831.db2.gz YTTIPXMOYTXMES-UHFFFAOYSA-N 1 2 347.528 3.681 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153575460 1028242550 /nfs/dbraw/zinc/24/25/50/1028242550.db2.gz FLZCVAHLUNZCED-HNAYVOBHSA-N 1 2 341.430 3.632 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccoc2C)C(C)C)cc1 ZINC000055054398 1028259075 /nfs/dbraw/zinc/25/90/75/1028259075.db2.gz BZXMTYYLQVTDNM-HXUWFJFHSA-N 1 2 344.455 3.542 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccoc2C)C(C)C)cc1 ZINC000055054398 1028259088 /nfs/dbraw/zinc/25/90/88/1028259088.db2.gz BZXMTYYLQVTDNM-HXUWFJFHSA-N 1 2 344.455 3.542 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548778805 1028259435 /nfs/dbraw/zinc/25/94/35/1028259435.db2.gz ZGOFYEPNXMUQGU-OAHLLOKOSA-N 1 2 341.459 3.759 20 0 EHADLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000523385365 1028260829 /nfs/dbraw/zinc/26/08/29/1028260829.db2.gz IGSGJVAHLZGKNC-MRXNPFEDSA-N 1 2 340.471 3.739 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H]2CCSc3c(F)cccc32)nn1C ZINC000421320682 1028262719 /nfs/dbraw/zinc/26/27/19/1028262719.db2.gz AVSCVLGOZGZERZ-LBPRGKRZSA-N 1 2 325.840 3.848 20 0 EHADLO Cc1c(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)sc2c1CCCC2 ZINC000423237426 1028276541 /nfs/dbraw/zinc/27/65/41/1028276541.db2.gz DGHXHYVFSXHMPR-HNNXBMFYSA-N 1 2 336.407 3.852 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)Oc2ccccc2C)c(C)[nH+]1 ZINC000455503077 1028279564 /nfs/dbraw/zinc/27/95/64/1028279564.db2.gz VJCDXIONYMUTOT-HNNXBMFYSA-N 1 2 327.428 3.904 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000078873182 1028280188 /nfs/dbraw/zinc/28/01/88/1028280188.db2.gz XJJXRONKTXZNOE-HXUWFJFHSA-N 1 2 336.435 3.973 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000078873182 1028280200 /nfs/dbraw/zinc/28/02/00/1028280200.db2.gz XJJXRONKTXZNOE-HXUWFJFHSA-N 1 2 336.435 3.973 20 0 EHADLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCC1 ZINC000455514547 1028293977 /nfs/dbraw/zinc/29/39/77/1028293977.db2.gz NRLVBZPDAVNVJC-MRXNPFEDSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCOc2cccc(Cl)c2)c[nH+]1 ZINC000455535779 1028312819 /nfs/dbraw/zinc/31/28/19/1028312819.db2.gz BGDMTLURCILTRD-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2csc3ccccc23)c[nH+]1 ZINC000455535720 1028313768 /nfs/dbraw/zinc/31/37/68/1028313768.db2.gz AVBYXBBGYFHEIO-UHFFFAOYSA-N 1 2 339.464 3.955 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066563802 1028331948 /nfs/dbraw/zinc/33/19/48/1028331948.db2.gz POMCWJYLEFKSKM-UONOGXRCSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066563802 1028331970 /nfs/dbraw/zinc/33/19/70/1028331970.db2.gz POMCWJYLEFKSKM-UONOGXRCSA-N 1 2 349.525 3.697 20 0 EHADLO Nc1cccc(-c2cccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)n2)n1 ZINC001213086388 1028353583 /nfs/dbraw/zinc/35/35/83/1028353583.db2.gz OXTAJXPAMDBXLU-UHFFFAOYSA-N 1 2 328.379 3.860 20 0 EHADLO CCCc1nc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cs1 ZINC000067460536 1028367511 /nfs/dbraw/zinc/36/75/11/1028367511.db2.gz ZVDSWICEFYVBEM-UHFFFAOYSA-N 1 2 349.525 3.552 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)[C@@H](C)Cc3cccc(F)c3)ccc2[nH+]1 ZINC000459378182 1028398638 /nfs/dbraw/zinc/39/86/38/1028398638.db2.gz VMTMNZQGSUMOET-AWEZNQCLSA-N 1 2 340.402 3.877 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060615906 1028415868 /nfs/dbraw/zinc/41/58/68/1028415868.db2.gz GQUPBJXRMMAGJY-HNNXBMFYSA-N 1 2 337.398 3.904 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000455555245 1028439849 /nfs/dbraw/zinc/43/98/49/1028439849.db2.gz FBFQGRPYSDZYOU-OAQYLSRUSA-N 1 2 337.467 3.880 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCOc2ccc(Cl)cc2)c[nH+]1 ZINC000455556309 1028448192 /nfs/dbraw/zinc/44/81/92/1028448192.db2.gz KIZWJJGPMUNVRE-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000455558751 1028453362 /nfs/dbraw/zinc/45/33/62/1028453362.db2.gz NKBGVNGDQJNAID-IBGZPJMESA-N 1 2 339.439 3.754 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)c[nH+]1 ZINC000455557314 1028453631 /nfs/dbraw/zinc/45/36/31/1028453631.db2.gz IAHLBJLKOQOYND-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)sc3C)CC2)s1 ZINC000194391914 1028512605 /nfs/dbraw/zinc/51/26/05/1028512605.db2.gz IWQSYTFAQJRICS-UHFFFAOYSA-N 1 2 334.510 3.693 20 0 EHADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c(Br)s1 ZINC000421575093 1028569207 /nfs/dbraw/zinc/56/92/07/1028569207.db2.gz ITCFRZXYINHTCQ-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc(OC)c1C(C)C ZINC000421578535 1028572967 /nfs/dbraw/zinc/57/29/67/1028572967.db2.gz RIPAVSPMMKJFPQ-UHFFFAOYSA-N 1 2 342.439 3.769 20 0 EHADLO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000073699308 1028573184 /nfs/dbraw/zinc/57/31/84/1028573184.db2.gz KEEDHADVGRYJRF-UHFFFAOYSA-N 1 2 341.392 3.858 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccc3ncccc3c2)c2ncc[nH]2)cc1 ZINC000195148916 1028587056 /nfs/dbraw/zinc/58/70/56/1028587056.db2.gz IYVMSVRJMVEDED-LJQANCHMSA-N 1 2 332.382 3.976 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000246470997 1028594968 /nfs/dbraw/zinc/59/49/68/1028594968.db2.gz JLKQRFACZGUNEN-KBXCAEBGSA-N 1 2 346.496 3.624 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000246470997 1028594980 /nfs/dbraw/zinc/59/49/80/1028594980.db2.gz JLKQRFACZGUNEN-KBXCAEBGSA-N 1 2 346.496 3.624 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCC3)CC2)c(F)c1 ZINC000195324638 1028628902 /nfs/dbraw/zinc/62/89/02/1028628902.db2.gz HERSCNNNCHUZMA-OAHLLOKOSA-N 1 2 348.462 3.885 20 0 EHADLO FC(F)(F)c1n[nH]c(CNc2cc[nH+]c3c(Cl)cccc23)n1 ZINC000343014126 1028638028 /nfs/dbraw/zinc/63/80/28/1028638028.db2.gz VGGBETVDJXDIIW-UHFFFAOYSA-N 1 2 327.697 3.637 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccsc2C1 ZINC000343014687 1028641569 /nfs/dbraw/zinc/64/15/69/1028641569.db2.gz XAXPZVKRGBVVSM-MRXNPFEDSA-N 1 2 337.448 3.578 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000523860483 1028674882 /nfs/dbraw/zinc/67/48/82/1028674882.db2.gz POGWRCCGCWOBSL-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000523860483 1028674887 /nfs/dbraw/zinc/67/48/87/1028674887.db2.gz POGWRCCGCWOBSL-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000079436323 1028719387 /nfs/dbraw/zinc/71/93/87/1028719387.db2.gz MUPCKWPIXQXKBB-IBGZPJMESA-N 1 2 349.434 3.622 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000079436323 1028719401 /nfs/dbraw/zinc/71/94/01/1028719401.db2.gz MUPCKWPIXQXKBB-IBGZPJMESA-N 1 2 349.434 3.622 20 0 EHADLO CC1CC(c2nc(Cc3c[nH+]cn3C)no2)(c2cccc(Cl)c2)C1 ZINC000583066332 1028722337 /nfs/dbraw/zinc/72/23/37/1028722337.db2.gz KMFQKUIRUGAVRD-UHFFFAOYSA-N 1 2 342.830 3.763 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122777682 1028736776 /nfs/dbraw/zinc/73/67/76/1028736776.db2.gz QAQQTBYFGXDDQU-NVXWUHKLSA-N 1 2 343.496 3.702 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000414550305 1028756735 /nfs/dbraw/zinc/75/67/35/1028756735.db2.gz NPTIQAHSFCEJQR-UHFFFAOYSA-N 1 2 327.371 3.513 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2C[C@H](C)[C@H](C)C2)c(C)c1 ZINC000532752704 1028771936 /nfs/dbraw/zinc/77/19/36/1028771936.db2.gz PNRMJXNEWDFMFO-ZIFCJYIRSA-N 1 2 340.471 3.539 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2)cs1 ZINC000247490758 1028793983 /nfs/dbraw/zinc/79/39/83/1028793983.db2.gz LOGJLHAQIODGIC-HZSPNIEDSA-N 1 2 331.485 3.622 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000247505005 1028797820 /nfs/dbraw/zinc/79/78/20/1028797820.db2.gz MBLUVZVGGVYGCZ-YOEHRIQHSA-N 1 2 344.459 3.570 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000247505005 1028797835 /nfs/dbraw/zinc/79/78/35/1028797835.db2.gz MBLUVZVGGVYGCZ-YOEHRIQHSA-N 1 2 344.459 3.570 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413005 1028824187 /nfs/dbraw/zinc/82/41/87/1028824187.db2.gz YQGNGSAXEPGGHZ-VVLHAWIVSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413005 1028824205 /nfs/dbraw/zinc/82/42/05/1028824205.db2.gz YQGNGSAXEPGGHZ-VVLHAWIVSA-N 1 2 340.467 3.515 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000414555394 1028857318 /nfs/dbraw/zinc/85/73/18/1028857318.db2.gz MLIUEFJYZSNGLQ-UHFFFAOYSA-N 1 2 347.484 3.893 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000424171340 1028869322 /nfs/dbraw/zinc/86/93/22/1028869322.db2.gz CJTXVANNKAOXFD-UHFFFAOYSA-N 1 2 340.349 3.967 20 0 EHADLO CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123309604 1028877108 /nfs/dbraw/zinc/87/71/08/1028877108.db2.gz YXZIOXPUBLUSON-HOTGVXAUSA-N 1 2 342.443 3.662 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2ccncc2OCC(F)F)c(F)c1 ZINC000424198400 1028881986 /nfs/dbraw/zinc/88/19/86/1028881986.db2.gz YAEQXUUNOPMGMK-UHFFFAOYSA-N 1 2 328.309 3.602 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)s1 ZINC000424201913 1028889254 /nfs/dbraw/zinc/88/92/54/1028889254.db2.gz PFQSTPCNPCTCDX-MRVPVSSYSA-N 1 2 328.796 3.573 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000454432632 1028890344 /nfs/dbraw/zinc/89/03/44/1028890344.db2.gz CURQZPAMXXMRSB-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000524141737 1028904760 /nfs/dbraw/zinc/90/47/60/1028904760.db2.gz XKYOVMRYYBQMPE-NSHDSACASA-N 1 2 333.350 3.747 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000524141737 1028904776 /nfs/dbraw/zinc/90/47/76/1028904776.db2.gz XKYOVMRYYBQMPE-NSHDSACASA-N 1 2 333.350 3.747 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000248435782 1028905195 /nfs/dbraw/zinc/90/51/95/1028905195.db2.gz AJQOLKLTMYRMFL-DNVCBOLYSA-N 1 2 349.434 3.925 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000248435782 1028905213 /nfs/dbraw/zinc/90/52/13/1028905213.db2.gz AJQOLKLTMYRMFL-DNVCBOLYSA-N 1 2 349.434 3.925 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000502957395 1028912856 /nfs/dbraw/zinc/91/28/56/1028912856.db2.gz RAEGKPJJSGPOLJ-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000502957395 1028912873 /nfs/dbraw/zinc/91/28/73/1028912873.db2.gz RAEGKPJJSGPOLJ-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)Cc2cnc3ccccc3n2)c(C)[nH+]1 ZINC000583129962 1028927809 /nfs/dbraw/zinc/92/78/09/1028927809.db2.gz WZSXLLDHYIEOME-CYBMUJFWSA-N 1 2 334.423 3.767 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475631831 1028942604 /nfs/dbraw/zinc/94/26/04/1028942604.db2.gz PDHRDUXIMQYFNS-CQSZACIVSA-N 1 2 335.391 3.537 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475631831 1028942631 /nfs/dbraw/zinc/94/26/31/1028942631.db2.gz PDHRDUXIMQYFNS-CQSZACIVSA-N 1 2 335.391 3.537 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1cnn(C)c1 ZINC000153990338 1028955107 /nfs/dbraw/zinc/95/51/07/1028955107.db2.gz WQIGWIDVBJJEBO-QRWLVFNGSA-N 1 2 345.450 3.747 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](C3CCCC3)C1)C2 ZINC000421951960 1028959252 /nfs/dbraw/zinc/95/92/52/1028959252.db2.gz QZOIEFPHZZROEF-CVEARBPZSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C3CCCC3)C1)CC2 ZINC000421951960 1028959263 /nfs/dbraw/zinc/95/92/63/1028959263.db2.gz QZOIEFPHZZROEF-CVEARBPZSA-N 1 2 329.488 3.677 20 0 EHADLO CCOc1ccc([C@H](CC)[NH2+]Cc2nccc(OC)n2)cc1OCC ZINC000424313293 1028959963 /nfs/dbraw/zinc/95/99/63/1028959963.db2.gz XWKFTAGRHRBVRP-HNNXBMFYSA-N 1 2 345.443 3.524 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(Cl)c1 ZINC000424319214 1028964725 /nfs/dbraw/zinc/96/47/25/1028964725.db2.gz SCFVTSGUMOAZJP-NEPJUHHUSA-N 1 2 334.851 3.688 20 0 EHADLO Cc1ncc(C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)s1 ZINC000123635193 1028979129 /nfs/dbraw/zinc/97/91/29/1028979129.db2.gz RUYUJJFGHQGIJE-SNVBAGLBSA-N 1 2 347.875 3.845 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@@H](C)CCC[C@H]3CO)cs2)cc1 ZINC000245662958 1028985709 /nfs/dbraw/zinc/98/57/09/1028985709.db2.gz GBMFIUCSNHPMIX-RDJZCZTQSA-N 1 2 346.496 3.766 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@@H](C)CCC[C@H]3CO)cs2)cc1 ZINC000245662958 1028985722 /nfs/dbraw/zinc/98/57/22/1028985722.db2.gz GBMFIUCSNHPMIX-RDJZCZTQSA-N 1 2 346.496 3.766 20 0 EHADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](C)C(C)C ZINC000065461124 1028995763 /nfs/dbraw/zinc/99/57/63/1028995763.db2.gz MMNLZFFRHBBACA-AWEZNQCLSA-N 1 2 332.423 3.587 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)cc1O ZINC000503041601 1029006581 /nfs/dbraw/zinc/00/65/81/1029006581.db2.gz MENLMHWJIRIGRT-LJQANCHMSA-N 1 2 333.378 3.919 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)cc1O ZINC000503041601 1029006593 /nfs/dbraw/zinc/00/65/93/1029006593.db2.gz MENLMHWJIRIGRT-LJQANCHMSA-N 1 2 333.378 3.919 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C/c2cccs2)c1)[NH+]1CCOCC1 ZINC000729408182 1029052318 /nfs/dbraw/zinc/05/23/18/1029052318.db2.gz BBJDLLYYBPZWFI-KIUWMYQTSA-N 1 2 342.464 3.793 20 0 EHADLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422066339 1029055175 /nfs/dbraw/zinc/05/51/75/1029055175.db2.gz MDXCGZDJVVSILC-GOSISDBHSA-N 1 2 346.434 3.676 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)[C@H](C)C2 ZINC000504938871 1029065076 /nfs/dbraw/zinc/06/50/76/1029065076.db2.gz JDCBLSNJNBHTDO-IERDGZPVSA-N 1 2 345.446 3.903 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000532920407 1029072760 /nfs/dbraw/zinc/07/27/60/1029072760.db2.gz MKMPDJVWAGXKMP-ZDUSSCGKSA-N 1 2 345.830 3.681 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000532920407 1029072778 /nfs/dbraw/zinc/07/27/78/1029072778.db2.gz MKMPDJVWAGXKMP-ZDUSSCGKSA-N 1 2 345.830 3.681 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+]([C@H](C)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000532950673 1029092445 /nfs/dbraw/zinc/09/24/45/1029092445.db2.gz ZTEMIXGPQDJSJY-CQSZACIVSA-N 1 2 349.434 3.853 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000532950673 1029092463 /nfs/dbraw/zinc/09/24/63/1029092463.db2.gz ZTEMIXGPQDJSJY-CQSZACIVSA-N 1 2 349.434 3.853 20 0 EHADLO Cc1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000505023686 1029128343 /nfs/dbraw/zinc/12/83/43/1029128343.db2.gz JFLLHTOKVZXQNE-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3cccs3)c3nnc[nH]3)C2)c1 ZINC000583185721 1029140918 /nfs/dbraw/zinc/14/09/18/1029140918.db2.gz GPIWVSYKLYRDPP-ZQIUZPCESA-N 1 2 340.452 3.500 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245724869 1029146696 /nfs/dbraw/zinc/14/66/96/1029146696.db2.gz IPPHCHIQMPQKRI-QRWLVFNGSA-N 1 2 327.472 3.507 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245724869 1029146706 /nfs/dbraw/zinc/14/67/06/1029146706.db2.gz IPPHCHIQMPQKRI-QRWLVFNGSA-N 1 2 327.472 3.507 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)nc1C ZINC000445797872 1029157179 /nfs/dbraw/zinc/15/71/79/1029157179.db2.gz LQALZHONRGUDBG-GFCCVEGCSA-N 1 2 336.432 3.927 20 0 EHADLO COc1ccc2c(c1)N(Cc1c[nH+]cn1Cc1ccccc1)C[C@H](C)O2 ZINC000445820079 1029159474 /nfs/dbraw/zinc/15/94/74/1029159474.db2.gz SUUMYUQBGBVMEK-INIZCTEOSA-N 1 2 349.434 3.728 20 0 EHADLO Cc1ccc(C)c(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000524415325 1029165030 /nfs/dbraw/zinc/16/50/30/1029165030.db2.gz UMMIVKLJQHBISB-UHFFFAOYSA-N 1 2 343.496 3.927 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271785392 1029169244 /nfs/dbraw/zinc/16/92/44/1029169244.db2.gz LNMAADCZENSRJJ-GFCCVEGCSA-N 1 2 347.386 3.845 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@H](F)C3)n2)C1 ZINC000424610824 1029169720 /nfs/dbraw/zinc/16/97/20/1029169720.db2.gz QIOMGTBLSHUOHX-MCIONIFRSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@H](F)C3)n2)C1 ZINC000424610824 1029169727 /nfs/dbraw/zinc/16/97/27/1029169727.db2.gz QIOMGTBLSHUOHX-MCIONIFRSA-N 1 2 339.480 3.842 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1F ZINC000271798447 1029177747 /nfs/dbraw/zinc/17/77/47/1029177747.db2.gz OWOWOSURVIAQNG-MRXNPFEDSA-N 1 2 334.414 3.914 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(N2CCOC2=O)c1 ZINC000271855604 1029204037 /nfs/dbraw/zinc/20/40/37/1029204037.db2.gz XUGCMRDPONBFIG-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO CCC1CCC([N@H+](Cn2ncc3ccccc3c2=O)C2CC2)CC1 ZINC000054487380 1029219658 /nfs/dbraw/zinc/21/96/58/1029219658.db2.gz YPJIHTDBMYUQKM-UHFFFAOYSA-N 1 2 325.456 3.787 20 0 EHADLO CCC1CCC([N@@H+](Cn2ncc3ccccc3c2=O)C2CC2)CC1 ZINC000054487380 1029219674 /nfs/dbraw/zinc/21/96/74/1029219674.db2.gz YPJIHTDBMYUQKM-UHFFFAOYSA-N 1 2 325.456 3.787 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCC[C@H](F)C1 ZINC000424659652 1029222404 /nfs/dbraw/zinc/22/24/04/1029222404.db2.gz IFERPJJJYGALOL-SJORKVTESA-N 1 2 333.451 3.607 20 0 EHADLO CC[C@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1c(C)noc1C ZINC000161795464 1029290190 /nfs/dbraw/zinc/29/01/90/1029290190.db2.gz HAJFAFDTJMVAGD-INIZCTEOSA-N 1 2 338.411 3.667 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccccc2Cl)no1 ZINC001211570802 1029323167 /nfs/dbraw/zinc/32/31/67/1029323167.db2.gz GWYOMPICCSIZQO-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccccc2Cl)no1 ZINC001211570802 1029323184 /nfs/dbraw/zinc/32/31/84/1029323184.db2.gz GWYOMPICCSIZQO-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431526458 1029325793 /nfs/dbraw/zinc/32/57/93/1029325793.db2.gz ZRNZXILMGILLGE-KRWDZBQOSA-N 1 2 327.472 3.805 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000533718072 1029331471 /nfs/dbraw/zinc/33/14/71/1029331471.db2.gz AWSNXLLUQQXVCN-SJORKVTESA-N 1 2 332.492 3.668 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000272191845 1029353242 /nfs/dbraw/zinc/35/32/42/1029353242.db2.gz FZFDYEWESCKSOV-FQEVSTJZSA-N 1 2 346.434 3.943 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255554846 1029369913 /nfs/dbraw/zinc/36/99/13/1029369913.db2.gz QHJLCTWHGJPBOY-HYXAFXHYSA-N 1 2 349.409 3.790 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)CC(F)(F)F)Cc1ccccc1Cl ZINC000505280341 1029434664 /nfs/dbraw/zinc/43/46/64/1029434664.db2.gz JMUOIDUYURRSKH-NSHDSACASA-N 1 2 336.785 3.619 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)CC(F)(F)F)Cc1ccccc1Cl ZINC000505280341 1029434673 /nfs/dbraw/zinc/43/46/73/1029434673.db2.gz JMUOIDUYURRSKH-NSHDSACASA-N 1 2 336.785 3.619 20 0 EHADLO CC(C)CCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272370271 1029434779 /nfs/dbraw/zinc/43/47/79/1029434779.db2.gz ULIGFFAMWWHSHH-UHFFFAOYSA-N 1 2 326.444 3.556 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1OC ZINC000505308233 1029458624 /nfs/dbraw/zinc/45/86/24/1029458624.db2.gz OCQUZUXKTWFFMU-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245912028 1029463195 /nfs/dbraw/zinc/46/31/95/1029463195.db2.gz RIKQIUZAYRXFNA-GJZGRUSLSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245912028 1029463197 /nfs/dbraw/zinc/46/31/97/1029463197.db2.gz RIKQIUZAYRXFNA-GJZGRUSLSA-N 1 2 349.887 3.589 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000454946775 1029485769 /nfs/dbraw/zinc/48/57/69/1029485769.db2.gz UDZNFAATTLYPGC-PBHICJAKSA-N 1 2 331.485 3.801 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)CCCc2c(F)cccc2Cl)n1 ZINC000278176085 1029505271 /nfs/dbraw/zinc/50/52/71/1029505271.db2.gz GGUQLPKZKWNKJC-NSHDSACASA-N 1 2 341.814 3.634 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCc2c(F)cccc2Cl)n1 ZINC000278176085 1029505278 /nfs/dbraw/zinc/50/52/78/1029505278.db2.gz GGUQLPKZKWNKJC-NSHDSACASA-N 1 2 341.814 3.634 20 0 EHADLO CCC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC000454989608 1029528423 /nfs/dbraw/zinc/52/84/23/1029528423.db2.gz JWLQDMXNKSKWCY-MRXNPFEDSA-N 1 2 348.491 3.563 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000685114446 1029549784 /nfs/dbraw/zinc/54/97/84/1029549784.db2.gz ODDBZEGZECCPSS-UHFFFAOYSA-N 1 2 331.725 3.974 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccc(C)c(C)c3)C3CC3)[nH+]c12 ZINC000524840521 1029552406 /nfs/dbraw/zinc/55/24/06/1029552406.db2.gz GRVHZLKFSWLLPL-UHFFFAOYSA-N 1 2 347.462 3.993 20 0 EHADLO CCSc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343161510 1029554132 /nfs/dbraw/zinc/55/41/32/1029554132.db2.gz GYRHWVAISNGLMG-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO Cc1noc(C2CC2)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000161634645 1029583086 /nfs/dbraw/zinc/58/30/86/1029583086.db2.gz YIAACWOMGHOXDS-UHFFFAOYSA-N 1 2 346.456 3.555 20 0 EHADLO O=C(CC1CCC1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000079342661 1029610700 /nfs/dbraw/zinc/61/07/00/1029610700.db2.gz QNPONISVFULRBQ-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO O=C(CC1CCC1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000079342661 1029610711 /nfs/dbraw/zinc/61/07/11/1029610711.db2.gz QNPONISVFULRBQ-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nc(C2CC2)n1Cc1ccco1 ZINC000728562298 1029622968 /nfs/dbraw/zinc/62/29/68/1029622968.db2.gz KXVDSZOOWJKNFO-INIZCTEOSA-N 1 2 344.484 3.765 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CC2)nc(C2CC2)n1Cc1ccco1 ZINC000728562298 1029622976 /nfs/dbraw/zinc/62/29/76/1029622976.db2.gz KXVDSZOOWJKNFO-INIZCTEOSA-N 1 2 344.484 3.765 20 0 EHADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000126024025 1029651406 /nfs/dbraw/zinc/65/14/06/1029651406.db2.gz HDHNSOQBVVGBJN-PXAZEXFGSA-N 1 2 332.831 3.616 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155876457 1029678279 /nfs/dbraw/zinc/67/82/79/1029678279.db2.gz QZOSDBGXZBGPQL-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000583362434 1029707178 /nfs/dbraw/zinc/70/71/78/1029707178.db2.gz XJLLEABYUAWVAE-CYBMUJFWSA-N 1 2 327.457 3.581 20 0 EHADLO CC(C)n1ncc2cc(CNc3ccc(N(C)C)[nH+]c3)c(Cl)nc21 ZINC000162969251 1029748526 /nfs/dbraw/zinc/74/85/26/1029748526.db2.gz QPORTBKKLHIAQA-UHFFFAOYSA-N 1 2 344.850 3.739 20 0 EHADLO O=C(C[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1)N1CCC1 ZINC000446713528 1029758912 /nfs/dbraw/zinc/75/89/12/1029758912.db2.gz ZPVCMLZEDYIHIS-IBGZPJMESA-N 1 2 340.854 3.672 20 0 EHADLO O=C(C[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1)N1CCC1 ZINC000446713528 1029758915 /nfs/dbraw/zinc/75/89/15/1029758915.db2.gz ZPVCMLZEDYIHIS-IBGZPJMESA-N 1 2 340.854 3.672 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)n2)C1 ZINC000421747240 1029763614 /nfs/dbraw/zinc/76/36/14/1029763614.db2.gz HFHZQTJGADEFQP-BARDWOONSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)n2)C1 ZINC000421747240 1029763622 /nfs/dbraw/zinc/76/36/22/1029763622.db2.gz HFHZQTJGADEFQP-BARDWOONSA-N 1 2 333.501 3.750 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525328279 1029795279 /nfs/dbraw/zinc/79/52/79/1029795279.db2.gz IZKTUEKIEQURFC-ZBFHGGJFSA-N 1 2 334.891 3.878 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525328279 1029795282 /nfs/dbraw/zinc/79/52/82/1029795282.db2.gz IZKTUEKIEQURFC-ZBFHGGJFSA-N 1 2 334.891 3.878 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455632195 1029800402 /nfs/dbraw/zinc/80/04/02/1029800402.db2.gz USBBVSOCZSSUSF-HOTGVXAUSA-N 1 2 346.519 3.933 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3cc(F)ccc3o1)CCO2 ZINC000634976443 1029833158 /nfs/dbraw/zinc/83/31/58/1029833158.db2.gz XDAQXVUENZGXTE-AWEZNQCLSA-N 1 2 328.343 3.589 20 0 EHADLO Cc1cc([C@@H](C)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C ZINC000548793931 1029838556 /nfs/dbraw/zinc/83/85/56/1029838556.db2.gz KJPFCUZBNBTYJK-BEFAXECRSA-N 1 2 346.906 3.870 20 0 EHADLO Cc1cc([C@@H](C)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C ZINC000548793946 1029839252 /nfs/dbraw/zinc/83/92/52/1029839252.db2.gz KJPFCUZBNBTYJK-DNVCBOLYSA-N 1 2 346.906 3.870 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000156443083 1029848907 /nfs/dbraw/zinc/84/89/07/1029848907.db2.gz XBNUOHDAJYQSPO-GFCCVEGCSA-N 1 2 348.809 3.665 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000156483384 1029855390 /nfs/dbraw/zinc/85/53/90/1029855390.db2.gz HPDKGOFJUITNMS-SQWLQELKSA-N 1 2 334.489 3.520 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000533814511 1029861143 /nfs/dbraw/zinc/86/11/43/1029861143.db2.gz ACZPJAUTWZJMIS-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815597 1029862323 /nfs/dbraw/zinc/86/23/23/1029862323.db2.gz QAVBWNOJXHPLPC-ZWKOTPCHSA-N 1 2 347.528 3.544 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000156531009 1029874578 /nfs/dbraw/zinc/87/45/78/1029874578.db2.gz YMDNRTNXFXMIMR-QAPCUYQASA-N 1 2 325.456 3.658 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428685678 1029898421 /nfs/dbraw/zinc/89/84/21/1029898421.db2.gz ROHQLGKKZSRACW-UHFFFAOYSA-N 1 2 348.834 3.545 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000127545725 1029911042 /nfs/dbraw/zinc/91/10/42/1029911042.db2.gz JODNXUWHDFYEPV-BXUZGUMPSA-N 1 2 336.798 3.791 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1c[nH]nc1C ZINC000447084629 1029912471 /nfs/dbraw/zinc/91/24/71/1029912471.db2.gz ZRBIYNFXPLWPMC-CQSZACIVSA-N 1 2 334.261 3.818 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1c[nH]nc1C ZINC000447084629 1029912487 /nfs/dbraw/zinc/91/24/87/1029912487.db2.gz ZRBIYNFXPLWPMC-CQSZACIVSA-N 1 2 334.261 3.818 20 0 EHADLO COC(=O)C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(C)C ZINC000508772935 1029950663 /nfs/dbraw/zinc/95/06/63/1029950663.db2.gz JFDIGTLXUSYSPT-UHFFFAOYSA-N 1 2 344.238 3.653 20 0 EHADLO COC(=O)C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(C)C ZINC000508772935 1029950678 /nfs/dbraw/zinc/95/06/78/1029950678.db2.gz JFDIGTLXUSYSPT-UHFFFAOYSA-N 1 2 344.238 3.653 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000429767797 1029973394 /nfs/dbraw/zinc/97/33/94/1029973394.db2.gz BYTDIXDTPIBWKO-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000429767797 1029973412 /nfs/dbraw/zinc/97/34/12/1029973412.db2.gz BYTDIXDTPIBWKO-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO Cc1cnc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)s1 ZINC000481827019 1030004945 /nfs/dbraw/zinc/00/49/45/1030004945.db2.gz WZXUSOCDXVRKGI-ILXRZTDVSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1cnc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)s1 ZINC000481827019 1030004958 /nfs/dbraw/zinc/00/49/58/1030004958.db2.gz WZXUSOCDXVRKGI-ILXRZTDVSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(Cl)s2)o1 ZINC000531904517 1030012213 /nfs/dbraw/zinc/01/22/13/1030012213.db2.gz KSKCXUKEZHHMHY-ZDUSSCGKSA-N 1 2 338.860 3.756 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(Cl)s2)o1 ZINC000531904517 1030012227 /nfs/dbraw/zinc/01/22/27/1030012227.db2.gz KSKCXUKEZHHMHY-ZDUSSCGKSA-N 1 2 338.860 3.756 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453293521 1030039144 /nfs/dbraw/zinc/03/91/44/1030039144.db2.gz DMOCIFNGEASYAB-PSLIRLAXSA-N 1 2 325.309 3.658 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](c2ccncc2)C(C)C)c1C ZINC000343279959 1030071833 /nfs/dbraw/zinc/07/18/33/1030071833.db2.gz YMUVXQVYCUJWQC-SFHVURJKSA-N 1 2 341.455 3.500 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000481873822 1030081809 /nfs/dbraw/zinc/08/18/09/1030081809.db2.gz LUJREXWYBVKPGN-BPAFIMBUSA-N 1 2 332.463 3.713 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(C)o1 ZINC000278315083 1030117172 /nfs/dbraw/zinc/11/71/72/1030117172.db2.gz UJBVKAWNOHNPPG-SNVBAGLBSA-N 1 2 338.333 3.809 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453342994 1030128082 /nfs/dbraw/zinc/12/80/82/1030128082.db2.gz IIWOWUPKKBHJNT-STQMWFEESA-N 1 2 344.850 3.549 20 0 EHADLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000120911462 1030145415 /nfs/dbraw/zinc/14/54/15/1030145415.db2.gz HDPMLKKBIONJES-QGZVFWFLSA-N 1 2 344.842 3.693 20 0 EHADLO CC[C@@H](O)CN(Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000525832913 1030156175 /nfs/dbraw/zinc/15/61/75/1030156175.db2.gz HGUTZIZSTWYAMP-OAQYLSRUSA-N 1 2 335.451 3.709 20 0 EHADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000476548515 1030177195 /nfs/dbraw/zinc/17/71/95/1030177195.db2.gz NEGPAGXBWZHLOF-UHFFFAOYSA-N 1 2 344.499 3.575 20 0 EHADLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000476548515 1030177198 /nfs/dbraw/zinc/17/71/98/1030177198.db2.gz NEGPAGXBWZHLOF-UHFFFAOYSA-N 1 2 344.499 3.575 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC1(c2ccccc2Cl)CCC1 ZINC000650721611 1030204268 /nfs/dbraw/zinc/20/42/68/1030204268.db2.gz SLDXMOVFTXNVDY-UHFFFAOYSA-N 1 2 346.862 3.695 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c(C)c1 ZINC000525908983 1030217821 /nfs/dbraw/zinc/21/78/21/1030217821.db2.gz GVQHMTVYZUVHGX-GOSISDBHSA-N 1 2 347.462 3.818 20 0 EHADLO Cc1cccc(C)c1OCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000447526278 1030247554 /nfs/dbraw/zinc/24/75/54/1030247554.db2.gz CHWTWGYFVBVRKL-GOSISDBHSA-N 1 2 336.439 3.570 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000657774559 1030248825 /nfs/dbraw/zinc/24/88/25/1030248825.db2.gz ZPGVLAXWMYWHLT-CQSZACIVSA-N 1 2 342.270 3.768 20 0 EHADLO CC(C)[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000121413110 1030250903 /nfs/dbraw/zinc/25/09/03/1030250903.db2.gz WZMMCNAXBBWRES-PMACEKPBSA-N 1 2 338.451 3.891 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000476572487 1030264896 /nfs/dbraw/zinc/26/48/96/1030264896.db2.gz LCVQKUAYOKTVAO-WMLDXEAASA-N 1 2 342.405 3.726 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000476572487 1030264902 /nfs/dbraw/zinc/26/49/02/1030264902.db2.gz LCVQKUAYOKTVAO-WMLDXEAASA-N 1 2 342.405 3.726 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000121456829 1030272936 /nfs/dbraw/zinc/27/29/36/1030272936.db2.gz NYQJBXFWGMVLJW-CVEARBPZSA-N 1 2 343.496 3.898 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3nccs3)CC2)cc(C(F)(F)F)c1 ZINC001143449579 1030301371 /nfs/dbraw/zinc/30/13/71/1030301371.db2.gz ZYWSIQOXHKXQSI-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000583638802 1030339494 /nfs/dbraw/zinc/33/94/94/1030339494.db2.gz KCYAPMOVYFTWBO-PMUMKWKESA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000583638802 1030339508 /nfs/dbraw/zinc/33/95/08/1030339508.db2.gz KCYAPMOVYFTWBO-PMUMKWKESA-N 1 2 339.863 3.507 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2noc3c2CCCC3)s1 ZINC000453594893 1030354699 /nfs/dbraw/zinc/35/46/99/1030354699.db2.gz LLCMLTOPLVWDGQ-UHFFFAOYSA-N 1 2 341.274 3.976 20 0 EHADLO C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000092034617 1030363214 /nfs/dbraw/zinc/36/32/14/1030363214.db2.gz BICSBXRNVOEDQB-JKSUJKDBSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1[nH+]cc(CNc2cccc([S@](C)=O)c2)n1-c1ccccc1 ZINC000121762714 1030368189 /nfs/dbraw/zinc/36/81/89/1030368189.db2.gz IJFIRWWSTPJQSZ-HSZRJFAPSA-N 1 2 325.437 3.530 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H]2CCCc3cn[nH]c32)s1 ZINC000453578333 1030368965 /nfs/dbraw/zinc/36/89/65/1030368965.db2.gz YJRLOHZWMSUSQI-NSHDSACASA-N 1 2 326.263 3.709 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H]2CCCc3c[nH]nc32)s1 ZINC000453578333 1030368982 /nfs/dbraw/zinc/36/89/82/1030368982.db2.gz YJRLOHZWMSUSQI-NSHDSACASA-N 1 2 326.263 3.709 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2F)CCN1 ZINC000092076164 1030372154 /nfs/dbraw/zinc/37/21/54/1030372154.db2.gz YEFBHSPDFZKCKO-MRXNPFEDSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2F)CCN1 ZINC000092076164 1030372173 /nfs/dbraw/zinc/37/21/73/1030372173.db2.gz YEFBHSPDFZKCKO-MRXNPFEDSA-N 1 2 332.806 3.542 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000453616050 1030405894 /nfs/dbraw/zinc/40/58/94/1030405894.db2.gz RQYSOIJGAVIYSF-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000453616050 1030405903 /nfs/dbraw/zinc/40/59/03/1030405903.db2.gz RQYSOIJGAVIYSF-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1C(F)(F)F ZINC000343345723 1030414777 /nfs/dbraw/zinc/41/47/77/1030414777.db2.gz QZTLDOBGFUYJQJ-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO CCC[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343347878 1030425719 /nfs/dbraw/zinc/42/57/19/1030425719.db2.gz VWXXWILTRCAUIW-GOSISDBHSA-N 1 2 334.423 3.849 20 0 EHADLO C[N@H+](CCOc1ccccc1C(C)(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000482448284 1030430924 /nfs/dbraw/zinc/43/09/24/1030430924.db2.gz FPZGKNAKQUIJAN-UHFFFAOYSA-N 1 2 344.503 3.841 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000482448284 1030430934 /nfs/dbraw/zinc/43/09/34/1030430934.db2.gz FPZGKNAKQUIJAN-UHFFFAOYSA-N 1 2 344.503 3.841 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000447707492 1030443271 /nfs/dbraw/zinc/44/32/71/1030443271.db2.gz BILSRAZZPZNEGP-INIZCTEOSA-N 1 2 330.815 3.562 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000447707492 1030443279 /nfs/dbraw/zinc/44/32/79/1030443279.db2.gz BILSRAZZPZNEGP-INIZCTEOSA-N 1 2 330.815 3.562 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1OC ZINC000092437961 1030452728 /nfs/dbraw/zinc/45/27/28/1030452728.db2.gz FRRKPBYOZOJOCA-UHFFFAOYSA-N 1 2 328.243 3.758 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1OC ZINC000092437961 1030452739 /nfs/dbraw/zinc/45/27/39/1030452739.db2.gz FRRKPBYOZOJOCA-UHFFFAOYSA-N 1 2 328.243 3.758 20 0 EHADLO O=C(CC/C=C/c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343357885 1030489741 /nfs/dbraw/zinc/48/97/41/1030489741.db2.gz FXHGFJLTCYBFIJ-XBXARRHUSA-N 1 2 332.407 3.759 20 0 EHADLO C[C@@H](CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)n1cc[nH+]c1 ZINC000567991468 1030489973 /nfs/dbraw/zinc/48/99/73/1030489973.db2.gz UUIGPNNSGVOZFN-LKFCYVNXSA-N 1 2 347.287 3.532 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000668064673 1030503617 /nfs/dbraw/zinc/50/36/17/1030503617.db2.gz UDDISZXZYFLQPZ-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000668064673 1030503628 /nfs/dbraw/zinc/50/36/28/1030503628.db2.gz UDDISZXZYFLQPZ-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447830579 1030520243 /nfs/dbraw/zinc/52/02/43/1030520243.db2.gz KWERTFUZNLRYBT-KOFHJDLBSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447830579 1030520256 /nfs/dbraw/zinc/52/02/56/1030520256.db2.gz KWERTFUZNLRYBT-KOFHJDLBSA-N 1 2 327.827 3.808 20 0 EHADLO Cc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000092822306 1030524392 /nfs/dbraw/zinc/52/43/92/1030524392.db2.gz QQNWCPWIOJSYCN-AWEZNQCLSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000092822306 1030524407 /nfs/dbraw/zinc/52/44/07/1030524407.db2.gz QQNWCPWIOJSYCN-AWEZNQCLSA-N 1 2 327.453 3.568 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000526989539 1030550510 /nfs/dbraw/zinc/55/05/10/1030550510.db2.gz OPLJIRWZMUNFPA-PHIMTYICSA-N 1 2 328.250 3.839 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000526989539 1030550522 /nfs/dbraw/zinc/55/05/22/1030550522.db2.gz OPLJIRWZMUNFPA-PHIMTYICSA-N 1 2 328.250 3.839 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000093048345 1030553740 /nfs/dbraw/zinc/55/37/40/1030553740.db2.gz JOQINMRMEDRCJS-UHFFFAOYSA-N 1 2 345.512 3.593 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)s2)[C@@H]1[C@H]1CCCO1 ZINC000583721497 1030561114 /nfs/dbraw/zinc/56/11/14/1030561114.db2.gz BJKJTIFSSUEVLZ-DGCLKSJQSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)s2)[C@@H]1[C@H]1CCCO1 ZINC000583721497 1030561117 /nfs/dbraw/zinc/56/11/17/1030561117.db2.gz BJKJTIFSSUEVLZ-DGCLKSJQSA-N 1 2 330.291 3.900 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](Cc1ccccc1)C(C)C ZINC000060466462 1030562447 /nfs/dbraw/zinc/56/24/47/1030562447.db2.gz XPCWWRLXBYVATC-UHFFFAOYSA-N 1 2 335.455 3.690 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000060466462 1030562456 /nfs/dbraw/zinc/56/24/56/1030562456.db2.gz XPCWWRLXBYVATC-UHFFFAOYSA-N 1 2 335.455 3.690 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000583735446 1030584079 /nfs/dbraw/zinc/58/40/79/1030584079.db2.gz BVDIMONEMFBCPM-ZDUSSCGKSA-N 1 2 340.452 3.501 20 0 EHADLO CC(=O)Nc1ccc(Cl)c(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000122389723 1030602736 /nfs/dbraw/zinc/60/27/36/1030602736.db2.gz RWXYZUYZFNLBKN-UHFFFAOYSA-N 1 2 331.803 3.871 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCc1cccs1 ZINC000093418431 1030608050 /nfs/dbraw/zinc/60/80/50/1030608050.db2.gz HAGWGJVHSYZOOC-GJZGRUSLSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCc1cccs1 ZINC000093418431 1030608059 /nfs/dbraw/zinc/60/80/59/1030608059.db2.gz HAGWGJVHSYZOOC-GJZGRUSLSA-N 1 2 347.480 3.945 20 0 EHADLO CCCOc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000508614948 1030610502 /nfs/dbraw/zinc/61/05/02/1030610502.db2.gz MJOVHTYEBJQAJV-BXWFABGCSA-N 1 2 348.487 3.548 20 0 EHADLO Cc1cc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000532369567 1030629798 /nfs/dbraw/zinc/62/97/98/1030629798.db2.gz BLLPWSGOSBBSLX-CQSZACIVSA-N 1 2 331.460 3.611 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000657791499 1030657196 /nfs/dbraw/zinc/65/71/96/1030657196.db2.gz DCLFGDJTSAZMCA-OAHLLOKOSA-N 1 2 349.274 3.946 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@H](c3ccsc3)C2)n1-c1ccccc1 ZINC000093768401 1030667523 /nfs/dbraw/zinc/66/75/23/1030667523.db2.gz LBHLBHSIRQKJSU-IBGZPJMESA-N 1 2 339.464 3.816 20 0 EHADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093793242 1030677769 /nfs/dbraw/zinc/67/77/69/1030677769.db2.gz CKFPKENVEWPYGL-OALUTQOASA-N 1 2 341.455 3.695 20 0 EHADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093793242 1030677778 /nfs/dbraw/zinc/67/77/78/1030677778.db2.gz CKFPKENVEWPYGL-OALUTQOASA-N 1 2 341.455 3.695 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935080632 1030677883 /nfs/dbraw/zinc/67/78/83/1030677883.db2.gz IRJOMQAKEGJQAO-BLBBIFAFSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935080632 1030677892 /nfs/dbraw/zinc/67/78/92/1030677892.db2.gz IRJOMQAKEGJQAO-BLBBIFAFSA-N 1 2 336.838 3.531 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865547 1030687447 /nfs/dbraw/zinc/68/74/47/1030687447.db2.gz NXQPBODABSISQF-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865547 1030687454 /nfs/dbraw/zinc/68/74/54/1030687454.db2.gz NXQPBODABSISQF-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1F ZINC000170764926 1030702062 /nfs/dbraw/zinc/70/20/62/1030702062.db2.gz SCVCGSQQDADPTO-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527242852 1030734558 /nfs/dbraw/zinc/73/45/58/1030734558.db2.gz ABWMWGLZWYYWHO-HIFRSBDPSA-N 1 2 341.455 3.984 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527242852 1030734573 /nfs/dbraw/zinc/73/45/73/1030734573.db2.gz ABWMWGLZWYYWHO-HIFRSBDPSA-N 1 2 341.455 3.984 20 0 EHADLO COc1c(F)cc(F)cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527250303 1030739053 /nfs/dbraw/zinc/73/90/53/1030739053.db2.gz QIUWUXLGRCZZPN-JTQLQIEISA-N 1 2 349.381 3.564 20 0 EHADLO COc1c(F)cc(F)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527250303 1030739069 /nfs/dbraw/zinc/73/90/69/1030739069.db2.gz QIUWUXLGRCZZPN-JTQLQIEISA-N 1 2 349.381 3.564 20 0 EHADLO c1ccc([C@H]2CCC[N@@H+](Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000171091398 1030765176 /nfs/dbraw/zinc/76/51/76/1030765176.db2.gz UOEBSUKAMJCTLW-KRWDZBQOSA-N 1 2 341.455 3.733 20 0 EHADLO c1ccc([C@H]2CCC[N@H+](Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000171091398 1030765195 /nfs/dbraw/zinc/76/51/95/1030765195.db2.gz UOEBSUKAMJCTLW-KRWDZBQOSA-N 1 2 341.455 3.733 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1cccnc1 ZINC000646236778 1030831146 /nfs/dbraw/zinc/83/11/46/1030831146.db2.gz RWKFEMSKMFFMBL-INIZCTEOSA-N 1 2 343.452 3.648 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000172169110 1030842174 /nfs/dbraw/zinc/84/21/74/1030842174.db2.gz VCBJGSHSFZQORN-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000172169110 1030842198 /nfs/dbraw/zinc/84/21/98/1030842198.db2.gz VCBJGSHSFZQORN-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)cnc21 ZINC000157791815 1030853882 /nfs/dbraw/zinc/85/38/82/1030853882.db2.gz DWNZQFFWPOWTSE-MRXNPFEDSA-N 1 2 342.468 3.647 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@@H](c4cccs4)C3)cnc21 ZINC000157791815 1030853905 /nfs/dbraw/zinc/85/39/05/1030853905.db2.gz DWNZQFFWPOWTSE-MRXNPFEDSA-N 1 2 342.468 3.647 20 0 EHADLO COC(=O)[C@H]([NH2+]CCOC(c1ccccc1)c1ccccc1)C(C)C ZINC000545177476 1030879743 /nfs/dbraw/zinc/87/97/43/1030879743.db2.gz HZWBMTFKBMCPOC-LJQANCHMSA-N 1 2 341.451 3.580 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000583838584 1030905374 /nfs/dbraw/zinc/90/53/74/1030905374.db2.gz SHYHSROKNXYJKH-KRWDZBQOSA-N 1 2 329.350 3.590 20 0 EHADLO C[C@H]1CC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)C1 ZINC000172374405 1030950057 /nfs/dbraw/zinc/95/00/57/1030950057.db2.gz DYPVKVGKFGUDRP-HZPDHXFCSA-N 1 2 340.471 3.555 20 0 EHADLO COCC[N@H+](Cc1cc2c(ccc(C)c2C)[nH]1)Cc1cncs1 ZINC000448377132 1031007859 /nfs/dbraw/zinc/00/78/59/1031007859.db2.gz XJFXJXLFBSQQQC-UHFFFAOYSA-N 1 2 329.469 3.890 20 0 EHADLO COCC[N@@H+](Cc1cc2c(ccc(C)c2C)[nH]1)Cc1cncs1 ZINC000448377132 1031007883 /nfs/dbraw/zinc/00/78/83/1031007883.db2.gz XJFXJXLFBSQQQC-UHFFFAOYSA-N 1 2 329.469 3.890 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000131341192 1031022954 /nfs/dbraw/zinc/02/29/54/1031022954.db2.gz UHLUCRJVQHCXRD-CXAGYDPISA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000131341192 1031022972 /nfs/dbraw/zinc/02/29/72/1031022972.db2.gz UHLUCRJVQHCXRD-CXAGYDPISA-N 1 2 346.402 3.729 20 0 EHADLO CCCCn1ncc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1C ZINC000448421613 1031041719 /nfs/dbraw/zinc/04/17/19/1031041719.db2.gz ORWSFKUREUTHJY-QGZVFWFLSA-N 1 2 348.878 3.886 20 0 EHADLO c1nnc([C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c2cccnc2)[nH]1 ZINC000551175845 1031077616 /nfs/dbraw/zinc/07/76/16/1031077616.db2.gz ONKXGPGBHHSCQY-NZSAHSFTSA-N 1 2 333.439 3.605 20 0 EHADLO C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173752063 1031103343 /nfs/dbraw/zinc/10/33/43/1031103343.db2.gz JQRHAQWXUCOSHE-MRXNPFEDSA-N 1 2 346.434 3.605 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483337603 1031110473 /nfs/dbraw/zinc/11/04/73/1031110473.db2.gz GXDKKERLRJRAFM-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483337603 1031110485 /nfs/dbraw/zinc/11/04/85/1031110485.db2.gz GXDKKERLRJRAFM-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1nc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)[nH]c1C ZINC000565491876 1031120943 /nfs/dbraw/zinc/12/09/43/1031120943.db2.gz RSPULBDNCREDNA-UHFFFAOYSA-N 1 2 325.334 3.704 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000483351036 1031121312 /nfs/dbraw/zinc/12/13/12/1031121312.db2.gz ZXENWUUFERELLW-UHFFFAOYSA-N 1 2 326.444 3.553 20 0 EHADLO COCc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)cc1 ZINC000583919862 1031123003 /nfs/dbraw/zinc/12/30/03/1031123003.db2.gz KFHFGZIXLDMJQT-UHFFFAOYSA-N 1 2 329.444 3.864 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC(C)=C(C)C3)n2)c1 ZINC000483377643 1031135725 /nfs/dbraw/zinc/13/57/25/1031135725.db2.gz QNBRFLPWUJKKGT-UHFFFAOYSA-N 1 2 327.428 3.808 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC(C)=C(C)C3)n2)c1 ZINC000483377643 1031135736 /nfs/dbraw/zinc/13/57/36/1031135736.db2.gz QNBRFLPWUJKKGT-UHFFFAOYSA-N 1 2 327.428 3.808 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(F)c1 ZINC000483401314 1031140926 /nfs/dbraw/zinc/14/09/26/1031140926.db2.gz FEELTYKATRJYMD-HXUWFJFHSA-N 1 2 344.405 3.875 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(F)c1 ZINC000483401314 1031140936 /nfs/dbraw/zinc/14/09/36/1031140936.db2.gz FEELTYKATRJYMD-HXUWFJFHSA-N 1 2 344.405 3.875 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000247627969 1031141040 /nfs/dbraw/zinc/14/10/40/1031141040.db2.gz NPZFEFXPPDUXCB-IFIJOSMWSA-N 1 2 346.500 3.915 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@]2(CCCOC2)O1 ZINC000483419010 1031154836 /nfs/dbraw/zinc/15/48/36/1031154836.db2.gz OSFQUAOOFAZDPH-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@]2(CCCOC2)O1 ZINC000483419010 1031154840 /nfs/dbraw/zinc/15/48/40/1031154840.db2.gz OSFQUAOOFAZDPH-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C12CCC2 ZINC000666975790 1031177106 /nfs/dbraw/zinc/17/71/06/1031177106.db2.gz YOZZGVBINOJATH-CABCVRRESA-N 1 2 342.443 3.582 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)cn1 ZINC000343514411 1031194252 /nfs/dbraw/zinc/19/42/52/1031194252.db2.gz WSXZZHRCLUIDMX-NHYWBVRUSA-N 1 2 325.815 3.641 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c1 ZINC000483542467 1031211018 /nfs/dbraw/zinc/21/10/18/1031211018.db2.gz WHQQFZJTAJETHR-UHFFFAOYSA-N 1 2 339.414 3.906 20 0 EHADLO C[C@@H]1CC[N@H+](CCCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000174508163 1031225737 /nfs/dbraw/zinc/22/57/37/1031225737.db2.gz VQNPZINVCMJXSG-AEFFLSMTSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@@H]1CC[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000174508163 1031225752 /nfs/dbraw/zinc/22/57/52/1031225752.db2.gz VQNPZINVCMJXSG-AEFFLSMTSA-N 1 2 347.480 3.917 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccc(F)cc1Cl ZINC000138900179 1031228371 /nfs/dbraw/zinc/22/83/71/1031228371.db2.gz LQBZVXAMVBCLPT-KRWDZBQOSA-N 1 2 348.805 3.960 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccc(F)cc1Cl ZINC000138900179 1031228388 /nfs/dbraw/zinc/22/83/88/1031228388.db2.gz LQBZVXAMVBCLPT-KRWDZBQOSA-N 1 2 348.805 3.960 20 0 EHADLO Nc1ccc(CNC(=O)Nc2ccccc2Oc2ccccc2)c[nH+]1 ZINC000448541526 1031231336 /nfs/dbraw/zinc/23/13/36/1031231336.db2.gz HJZZXLZNHYRCQW-UHFFFAOYSA-N 1 2 334.379 3.608 20 0 EHADLO CC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCC(F)(F)CC1 ZINC000527776860 1031240157 /nfs/dbraw/zinc/24/01/57/1031240157.db2.gz HZQAHDAKWVPKML-UHFFFAOYSA-N 1 2 347.409 3.763 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000483644300 1031257091 /nfs/dbraw/zinc/25/70/91/1031257091.db2.gz AHVPYBXIGSOVTP-QFIPXVFZSA-N 1 2 349.430 3.998 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000483644300 1031257103 /nfs/dbraw/zinc/25/71/03/1031257103.db2.gz AHVPYBXIGSOVTP-QFIPXVFZSA-N 1 2 349.430 3.998 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1F ZINC000174899057 1031286059 /nfs/dbraw/zinc/28/60/59/1031286059.db2.gz DAEOJSXRRTUEHL-UHFFFAOYSA-N 1 2 341.430 3.599 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551401549 1031301097 /nfs/dbraw/zinc/30/10/97/1031301097.db2.gz GRZXTNVEFHIZPN-UHFFFAOYSA-N 1 2 328.378 3.906 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)nc1 ZINC000527853574 1031325556 /nfs/dbraw/zinc/32/55/56/1031325556.db2.gz PVYCTDHMVRENNM-KRWDZBQOSA-N 1 2 346.434 3.793 20 0 EHADLO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527853310 1031326772 /nfs/dbraw/zinc/32/67/72/1031326772.db2.gz URYGJTPNVVXUBI-HNNXBMFYSA-N 1 2 336.439 3.732 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000583997833 1031353260 /nfs/dbraw/zinc/35/32/60/1031353260.db2.gz VPODTJMYVWSGGN-IRXDYDNUSA-N 1 2 325.456 3.851 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132554736 1031354528 /nfs/dbraw/zinc/35/45/28/1031354528.db2.gz QBIRWWJMIMLWKP-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132554736 1031354547 /nfs/dbraw/zinc/35/45/47/1031354547.db2.gz QBIRWWJMIMLWKP-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865447 1031360559 /nfs/dbraw/zinc/36/05/59/1031360559.db2.gz VJRHGKMDCGEWEI-GJZGRUSLSA-N 1 2 347.484 3.877 20 0 EHADLO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865447 1031360581 /nfs/dbraw/zinc/36/05/81/1031360581.db2.gz VJRHGKMDCGEWEI-GJZGRUSLSA-N 1 2 347.484 3.877 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175736842 1031371854 /nfs/dbraw/zinc/37/18/54/1031371854.db2.gz JEQBCUJALKOHMZ-UZLBHIALSA-N 1 2 331.419 3.891 20 0 EHADLO Cc1cc(N2CCC[C@H]2C[C@H](O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000175779104 1031378645 /nfs/dbraw/zinc/37/86/45/1031378645.db2.gz UJQZJWOJVSLUNC-GJZGRUSLSA-N 1 2 329.469 3.816 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000668281443 1031384232 /nfs/dbraw/zinc/38/42/32/1031384232.db2.gz VTQCHYJMXZCWAG-INIZCTEOSA-N 1 2 341.352 3.742 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000668281443 1031384245 /nfs/dbraw/zinc/38/42/45/1031384245.db2.gz VTQCHYJMXZCWAG-INIZCTEOSA-N 1 2 341.352 3.742 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1F ZINC000668283250 1031392903 /nfs/dbraw/zinc/39/29/03/1031392903.db2.gz LYIRVEDFCPGBEN-HWPZZCPQSA-N 1 2 343.320 3.778 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278562220 1031398749 /nfs/dbraw/zinc/39/87/49/1031398749.db2.gz BOWXWEYDDQERDG-MNOVXSKESA-N 1 2 325.334 3.671 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278562220 1031398767 /nfs/dbraw/zinc/39/87/67/1031398767.db2.gz BOWXWEYDDQERDG-MNOVXSKESA-N 1 2 325.334 3.671 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1Cl ZINC000176027816 1031407588 /nfs/dbraw/zinc/40/75/88/1031407588.db2.gz CLVBJVIPMJMVTI-LBPRGKRZSA-N 1 2 326.227 3.760 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1Cl ZINC000176027816 1031407598 /nfs/dbraw/zinc/40/75/98/1031407598.db2.gz CLVBJVIPMJMVTI-LBPRGKRZSA-N 1 2 326.227 3.760 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448681569 1031416741 /nfs/dbraw/zinc/41/67/41/1031416741.db2.gz QIAKBJJBUCEVGO-MOPGFXCFSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c2c1CCC2 ZINC000448662161 1031431988 /nfs/dbraw/zinc/43/19/88/1031431988.db2.gz ZJQYXWCIYDCMKB-UHFFFAOYSA-N 1 2 345.446 3.659 20 0 EHADLO COc1ccc(Cl)c(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1 ZINC000484080563 1031443865 /nfs/dbraw/zinc/44/38/65/1031443865.db2.gz HDYMYTWMZOAWMA-KRWDZBQOSA-N 1 2 344.846 3.878 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000484062292 1031447391 /nfs/dbraw/zinc/44/73/91/1031447391.db2.gz CEDKLMFXTSWDMA-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000484062292 1031447400 /nfs/dbraw/zinc/44/74/00/1031447400.db2.gz CEDKLMFXTSWDMA-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)c1cnccn1 ZINC000527953744 1031487090 /nfs/dbraw/zinc/48/70/90/1031487090.db2.gz YALOIHOSYDZZRV-RKDXNWHRSA-N 1 2 342.187 3.929 20 0 EHADLO c1csc([C@H]([NH2+]CC2CCc3ccccc3CC2)c2nnc[nH]2)c1 ZINC000527932067 1031495807 /nfs/dbraw/zinc/49/58/07/1031495807.db2.gz QTARLVUUEWUQQW-SFHVURJKSA-N 1 2 338.480 3.740 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000347426916 1031514440 /nfs/dbraw/zinc/51/44/40/1031514440.db2.gz JBLIOMPKYSDLEQ-CQSZACIVSA-N 1 2 339.464 3.584 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000347429900 1031517957 /nfs/dbraw/zinc/51/79/57/1031517957.db2.gz LTYCUTLOCWIUPP-IKGGRYGDSA-N 1 2 331.504 3.979 20 0 EHADLO COc1ccc(Cl)c(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635424503 1031521913 /nfs/dbraw/zinc/52/19/13/1031521913.db2.gz BLEGMTDFLWDGEX-LBPRGKRZSA-N 1 2 347.724 3.677 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000083953237 1031540265 /nfs/dbraw/zinc/54/02/65/1031540265.db2.gz MDAPFLMDGWFBLH-SPSFWMDKSA-N 1 2 334.391 3.931 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2Cc3ccccc3C[C@H]2C)o1 ZINC000177545459 1031551773 /nfs/dbraw/zinc/55/17/73/1031551773.db2.gz KQNPDSMODNMQIR-MRXNPFEDSA-N 1 2 333.435 3.916 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2Cc3ccccc3C[C@H]2C)o1 ZINC000177545459 1031551780 /nfs/dbraw/zinc/55/17/80/1031551780.db2.gz KQNPDSMODNMQIR-MRXNPFEDSA-N 1 2 333.435 3.916 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1F ZINC000177628777 1031581153 /nfs/dbraw/zinc/58/11/53/1031581153.db2.gz SHUMUQSPZZBLTI-MRXNPFEDSA-N 1 2 344.365 3.563 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000177639233 1031583104 /nfs/dbraw/zinc/58/31/04/1031583104.db2.gz RHQHYFGULXFNLS-MAUKXSAKSA-N 1 2 337.423 3.851 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(Br)c1 ZINC000904000585 1031585157 /nfs/dbraw/zinc/58/51/57/1031585157.db2.gz YKGLTIZDFNJLFA-CQSZACIVSA-N 1 2 339.277 3.877 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(Br)c1 ZINC000904000585 1031585171 /nfs/dbraw/zinc/58/51/71/1031585171.db2.gz YKGLTIZDFNJLFA-CQSZACIVSA-N 1 2 339.277 3.877 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccn2C)o1 ZINC000178032027 1031608924 /nfs/dbraw/zinc/60/89/24/1031608924.db2.gz HQMNTDOAPSDSTH-GOSISDBHSA-N 1 2 336.439 3.644 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccn2C)o1 ZINC000178032027 1031608937 /nfs/dbraw/zinc/60/89/37/1031608937.db2.gz HQMNTDOAPSDSTH-GOSISDBHSA-N 1 2 336.439 3.644 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cn3ccsc3n1)CCC2 ZINC000177896602 1031635242 /nfs/dbraw/zinc/63/52/42/1031635242.db2.gz RMCZYEGKJJNOBP-CYBMUJFWSA-N 1 2 332.498 3.924 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn3ccsc3n1)CCC2 ZINC000177896602 1031635254 /nfs/dbraw/zinc/63/52/54/1031635254.db2.gz RMCZYEGKJJNOBP-CYBMUJFWSA-N 1 2 332.498 3.924 20 0 EHADLO Cc1cnc(N2CCN(c3[nH+]ccc4ccccc43)CC2)nc1C(C)C ZINC000528054979 1031666949 /nfs/dbraw/zinc/66/69/49/1031666949.db2.gz SNWSVHVESIXKSD-UHFFFAOYSA-N 1 2 347.466 3.783 20 0 EHADLO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528083800 1031677956 /nfs/dbraw/zinc/67/79/56/1031677956.db2.gz QAJZDHKSBCDOSB-QRVBRYPASA-N 1 2 344.503 3.521 20 0 EHADLO CCCCOCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475732156 1031687345 /nfs/dbraw/zinc/68/73/45/1031687345.db2.gz PEPJGFSOHYQVGC-MRXNPFEDSA-N 1 2 331.378 3.895 20 0 EHADLO CCCCOCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475732156 1031687357 /nfs/dbraw/zinc/68/73/57/1031687357.db2.gz PEPJGFSOHYQVGC-MRXNPFEDSA-N 1 2 331.378 3.895 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178362605 1031687452 /nfs/dbraw/zinc/68/74/52/1031687452.db2.gz WIPKZDNRZAUTAK-LBPRGKRZSA-N 1 2 345.855 3.785 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1sccc1-c1ccccc1 ZINC000178364898 1031689632 /nfs/dbraw/zinc/68/96/32/1031689632.db2.gz UHVLBRLPMCIKGJ-UHFFFAOYSA-N 1 2 333.416 3.993 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccccc1OCCOC ZINC000158909864 1031730147 /nfs/dbraw/zinc/73/01/47/1031730147.db2.gz ZTJMWQMPEVKLDL-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OCCOC)cc1 ZINC000158912056 1031733130 /nfs/dbraw/zinc/73/31/30/1031733130.db2.gz CIUKMDXGFSQSNY-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000179426144 1031774237 /nfs/dbraw/zinc/77/42/37/1031774237.db2.gz RMVBPUGUVPGRAB-GOSISDBHSA-N 1 2 341.386 3.691 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000179426144 1031774246 /nfs/dbraw/zinc/77/42/46/1031774246.db2.gz RMVBPUGUVPGRAB-GOSISDBHSA-N 1 2 341.386 3.691 20 0 EHADLO CC(C)n1cc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000179436549 1031775980 /nfs/dbraw/zinc/77/59/80/1031775980.db2.gz HBEPABSSPZBCLJ-HNNXBMFYSA-N 1 2 348.441 3.621 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000158994687 1031779042 /nfs/dbraw/zinc/77/90/42/1031779042.db2.gz IBTLMPZDCNWTDW-GOSISDBHSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000158994687 1031779052 /nfs/dbraw/zinc/77/90/52/1031779052.db2.gz IBTLMPZDCNWTDW-GOSISDBHSA-N 1 2 328.387 3.525 20 0 EHADLO CC(C)[C@H]1C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000923888266 1031794648 /nfs/dbraw/zinc/79/46/48/1031794648.db2.gz MMZDQSHYSWRMCW-NVXWUHKLSA-N 1 2 338.411 3.841 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086232844 1031814323 /nfs/dbraw/zinc/81/43/23/1031814323.db2.gz WIXWMMFGEIMVLK-GFCCVEGCSA-N 1 2 332.366 3.604 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086232844 1031814340 /nfs/dbraw/zinc/81/43/40/1031814340.db2.gz WIXWMMFGEIMVLK-GFCCVEGCSA-N 1 2 332.366 3.604 20 0 EHADLO CC(C)C[C@@H](c1nc(Cc2cccc3ccn(C)c32)no1)n1cc[nH+]c1 ZINC000904166494 1031814393 /nfs/dbraw/zinc/81/43/93/1031814393.db2.gz WOENBWLAMKRWPE-KRWDZBQOSA-N 1 2 349.438 3.984 20 0 EHADLO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2noc(C)n2)cc1 ZINC000484623838 1031816555 /nfs/dbraw/zinc/81/65/55/1031816555.db2.gz YHBBXUVUNGIKED-ZWKOTPCHSA-N 1 2 345.443 3.647 20 0 EHADLO CC(C)C[C@@H](C(=O)NCc1nc(C(C)(C)C)cs1)n1cc[nH+]c1 ZINC000635505079 1031822396 /nfs/dbraw/zinc/82/23/96/1031822396.db2.gz IDOKILAQODVMHN-ZDUSSCGKSA-N 1 2 334.489 3.541 20 0 EHADLO Fc1cccc2c3c([nH]c21)CN(Cc1cccc2[nH+]ccn21)CCC3 ZINC000343665919 1031854207 /nfs/dbraw/zinc/85/42/07/1031854207.db2.gz XEZPOHJINQHKOZ-UHFFFAOYSA-N 1 2 334.398 3.903 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180456942 1031856679 /nfs/dbraw/zinc/85/66/79/1031856679.db2.gz PIRNTURHTFXQIL-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180456942 1031856689 /nfs/dbraw/zinc/85/66/89/1031856689.db2.gz PIRNTURHTFXQIL-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO Cc1cnc(-c2cccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)c2)o1 ZINC000343671966 1031871486 /nfs/dbraw/zinc/87/14/86/1031871486.db2.gz FWOXDLFBNGWMPT-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO Cc1cnc(-c2cccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)c2)o1 ZINC000343671966 1031871490 /nfs/dbraw/zinc/87/14/90/1031871490.db2.gz FWOXDLFBNGWMPT-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CO[C@@H]2CCCc3ccccc32)n1 ZINC000904268873 1031897665 /nfs/dbraw/zinc/89/76/65/1031897665.db2.gz LWMCYDNIDDZCCZ-MRXNPFEDSA-N 1 2 336.395 3.616 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000180840337 1031913527 /nfs/dbraw/zinc/91/35/27/1031913527.db2.gz SFZNZDNQVXEMQV-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000180840337 1031913532 /nfs/dbraw/zinc/91/35/32/1031913532.db2.gz SFZNZDNQVXEMQV-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000350006255 1031935040 /nfs/dbraw/zinc/93/50/40/1031935040.db2.gz IVUHEIPUZUYIGM-UHFFFAOYSA-N 1 2 348.450 3.917 20 0 EHADLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000537844931 1031960120 /nfs/dbraw/zinc/96/01/20/1031960120.db2.gz CGGDJXLHTIVBSF-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000537844931 1031960133 /nfs/dbraw/zinc/96/01/33/1031960133.db2.gz CGGDJXLHTIVBSF-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628177302 1031971971 /nfs/dbraw/zinc/97/19/71/1031971971.db2.gz SNIAUWLKGBSUTP-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628177302 1031971988 /nfs/dbraw/zinc/97/19/88/1031971988.db2.gz SNIAUWLKGBSUTP-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1Br ZINC000484811347 1031981273 /nfs/dbraw/zinc/98/12/73/1031981273.db2.gz JLSZTNDWLTVCOK-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000537899659 1032004004 /nfs/dbraw/zinc/00/40/04/1032004004.db2.gz GGPDFPVBGLSNKE-IERDGZPVSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000537899659 1032004019 /nfs/dbraw/zinc/00/40/19/1032004019.db2.gz GGPDFPVBGLSNKE-IERDGZPVSA-N 1 2 337.467 3.650 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(Cc4ccccc4Cl)no3)cn2c1 ZINC000904375532 1032005775 /nfs/dbraw/zinc/00/57/75/1032005775.db2.gz MYGWOBFCJNZLAG-UHFFFAOYSA-N 1 2 342.761 3.691 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449014582 1032027134 /nfs/dbraw/zinc/02/71/34/1032027134.db2.gz QEFRCPOZYPPVJZ-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449014582 1032027150 /nfs/dbraw/zinc/02/71/50/1032027150.db2.gz QEFRCPOZYPPVJZ-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000449025998 1032056901 /nfs/dbraw/zinc/05/69/01/1032056901.db2.gz DFDIKCSUBOKCIB-UHFFFAOYSA-N 1 2 328.481 3.683 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCOC2(CCC2)C1 ZINC000449025998 1032056911 /nfs/dbraw/zinc/05/69/11/1032056911.db2.gz DFDIKCSUBOKCIB-UHFFFAOYSA-N 1 2 328.481 3.683 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)nn1 ZINC000685429492 1033327528 /nfs/dbraw/zinc/32/75/28/1033327528.db2.gz CCRZWNWYSSFHCK-OAHLLOKOSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)nn1 ZINC000685429492 1033327546 /nfs/dbraw/zinc/32/75/46/1033327546.db2.gz CCRZWNWYSSFHCK-OAHLLOKOSA-N 1 2 338.377 3.739 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485154 1033366565 /nfs/dbraw/zinc/36/65/65/1033366565.db2.gz PWSUCBMMIQAMLI-STQMWFEESA-N 1 2 328.551 3.638 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485154 1033366580 /nfs/dbraw/zinc/36/65/80/1033366580.db2.gz PWSUCBMMIQAMLI-STQMWFEESA-N 1 2 328.551 3.638 20 0 EHADLO CSCc1cnc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)s1 ZINC000898181830 1033382205 /nfs/dbraw/zinc/38/22/05/1033382205.db2.gz OUGQDIPSOCMIQA-LBPRGKRZSA-N 1 2 336.530 3.854 20 0 EHADLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000607907458 1033400990 /nfs/dbraw/zinc/40/09/90/1033400990.db2.gz ZMYFABTWTCATLN-CYBMUJFWSA-N 1 2 339.361 3.602 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000449903326 1033402847 /nfs/dbraw/zinc/40/28/47/1033402847.db2.gz MTFPFFAEAPPFDK-RBUKOAKNSA-N 1 2 344.499 3.982 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3cc(F)ccc3C2)c(-c2cccs2)n1 ZINC000628495196 1033406117 /nfs/dbraw/zinc/40/61/17/1033406117.db2.gz KRHZOXOKHLUHCD-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3cc(F)ccc3C2)c(-c2cccs2)n1 ZINC000628495196 1033406126 /nfs/dbraw/zinc/40/61/26/1033406126.db2.gz KRHZOXOKHLUHCD-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO C[C@H]1CCN(C(=O)NCC2CCC(C)(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000533967485 1033433258 /nfs/dbraw/zinc/43/32/58/1033433258.db2.gz SPQVYIGDQAPCRU-DOTOQJQBSA-N 1 2 332.492 3.692 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173615587 1033434498 /nfs/dbraw/zinc/43/44/98/1033434498.db2.gz SAJFBFPQVZWSKY-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000173615587 1033434509 /nfs/dbraw/zinc/43/45/09/1033434509.db2.gz SAJFBFPQVZWSKY-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](c2cccnc2)C(C)C)n1 ZINC000898312505 1033449423 /nfs/dbraw/zinc/44/94/23/1033449423.db2.gz GCVYUXCEJAKPSG-INIZCTEOSA-N 1 2 346.500 3.758 20 0 EHADLO C[C@H](CCC(F)(F)F)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594614710 1033480478 /nfs/dbraw/zinc/48/04/78/1033480478.db2.gz JKCBFTMAPCXROC-OCCSQVGLSA-N 1 2 346.393 3.655 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1Cc2ccccc2C1 ZINC000431604911 1033485356 /nfs/dbraw/zinc/48/53/56/1033485356.db2.gz QGJCBRKQDLHKEW-UHFFFAOYSA-N 1 2 337.810 3.879 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(C2CC2)nc2ccccc21 ZINC000603296807 1033524531 /nfs/dbraw/zinc/52/45/31/1033524531.db2.gz HCZUGERWWSXNPJ-UHFFFAOYSA-N 1 2 334.423 3.519 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000131164407 1033536890 /nfs/dbraw/zinc/53/68/90/1033536890.db2.gz ABARRHQCRVOBAJ-NHYWBVRUSA-N 1 2 325.334 3.534 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528395 1033562018 /nfs/dbraw/zinc/56/20/18/1033562018.db2.gz QRLUABFTRVPZIO-OCCSQVGLSA-N 1 2 342.405 3.715 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528395 1033562022 /nfs/dbraw/zinc/56/20/22/1033562022.db2.gz QRLUABFTRVPZIO-OCCSQVGLSA-N 1 2 342.405 3.715 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc3ccc(C)cc3[nH]2)s1 ZINC000594952170 1033595022 /nfs/dbraw/zinc/59/50/22/1033595022.db2.gz XJHSFGRBFUICSX-LLVKDONJSA-N 1 2 329.425 3.570 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1ccco1 ZINC000598964950 1033601446 /nfs/dbraw/zinc/60/14/46/1033601446.db2.gz IJCPENZUGDXELZ-CYBMUJFWSA-N 1 2 337.441 3.774 20 0 EHADLO O=C(CC1=CCCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107178246 1033651557 /nfs/dbraw/zinc/65/15/57/1033651557.db2.gz SLMGGDCHYPLAJW-UHFFFAOYSA-N 1 2 327.472 3.969 20 0 EHADLO C[C@H](Nc1cc(CSCCO)cc[nH+]1)c1cc2cnccc2o1 ZINC000595030625 1033653530 /nfs/dbraw/zinc/65/35/30/1033653530.db2.gz SZNMPGWIOHIFBI-LBPRGKRZSA-N 1 2 329.425 3.621 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000529248791 1033653570 /nfs/dbraw/zinc/65/35/70/1033653570.db2.gz AYKAOQGIPTXUEG-NSHDSACASA-N 1 2 336.798 3.542 20 0 EHADLO COC[C@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651237 1033681752 /nfs/dbraw/zinc/68/17/52/1033681752.db2.gz SMSZDCIUSPSNRE-MOPGFXCFSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651237 1033681755 /nfs/dbraw/zinc/68/17/55/1033681755.db2.gz SMSZDCIUSPSNRE-MOPGFXCFSA-N 1 2 330.859 3.804 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410431 1033699326 /nfs/dbraw/zinc/69/93/26/1033699326.db2.gz BDNMGDBLMGUJSR-MAUKXSAKSA-N 1 2 344.434 3.595 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@H]4C[C@@H]43)n2)cc1C ZINC000761098261 1033706959 /nfs/dbraw/zinc/70/69/59/1033706959.db2.gz WEQRJRKYUGDWDV-PBHICJAKSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@H]4C[C@@H]43)n2)cc1C ZINC000761098261 1033706973 /nfs/dbraw/zinc/70/69/73/1033706973.db2.gz WEQRJRKYUGDWDV-PBHICJAKSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000529255683 1033713858 /nfs/dbraw/zinc/71/38/58/1033713858.db2.gz ZLDBTOCPTBKAHP-LLVKDONJSA-N 1 2 336.798 3.922 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(OCC3CCCCC3)CC2)n1 ZINC000608500109 1033729555 /nfs/dbraw/zinc/72/95/55/1033729555.db2.gz STFDVDOWTMYEBS-UHFFFAOYSA-N 1 2 335.492 3.829 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(N)c(Cl)c3)c2c1 ZINC001212110791 1033743349 /nfs/dbraw/zinc/74/33/49/1033743349.db2.gz MXDNACJGKVBMGJ-UHFFFAOYSA-N 1 2 341.798 3.813 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(CCOC)CC1 ZINC000599120241 1033757270 /nfs/dbraw/zinc/75/72/70/1033757270.db2.gz BWWQXRCNMXNFBS-UHFFFAOYSA-N 1 2 342.439 3.664 20 0 EHADLO O=C([C@@H]1CCC[C@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450110470 1033757214 /nfs/dbraw/zinc/75/72/14/1033757214.db2.gz FGYIIWKENIEEIA-SLFFLAALSA-N 1 2 336.435 3.645 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000537586306 1033769983 /nfs/dbraw/zinc/76/99/83/1033769983.db2.gz HVCKNPIDUQOPBK-GOSISDBHSA-N 1 2 346.434 3.677 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000595426655 1033799096 /nfs/dbraw/zinc/79/90/96/1033799096.db2.gz RBVMGUGOBYGALK-QAPCUYQASA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000595426655 1033799108 /nfs/dbraw/zinc/79/91/08/1033799108.db2.gz RBVMGUGOBYGALK-QAPCUYQASA-N 1 2 344.842 3.514 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608656853 1033819959 /nfs/dbraw/zinc/81/99/59/1033819959.db2.gz GSKXERAWSKPCPC-APWZRJJASA-N 1 2 329.488 3.612 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000065729360 1033852560 /nfs/dbraw/zinc/85/25/60/1033852560.db2.gz NTEIAKNJAZUJPT-RUDMXATFSA-N 1 2 337.354 3.672 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046902732 1033886023 /nfs/dbraw/zinc/88/60/23/1033886023.db2.gz KDFJWNSQXCDOML-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO CCN(Cc1ccccc1Cl)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944620 1033893846 /nfs/dbraw/zinc/89/38/46/1033893846.db2.gz NWQXCUZOSQTRAP-UHFFFAOYSA-N 1 2 346.862 3.769 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000055055001 1033907490 /nfs/dbraw/zinc/90/74/90/1033907490.db2.gz AXWZBZKJDASECX-KRWDZBQOSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000055055001 1033907501 /nfs/dbraw/zinc/90/75/01/1033907501.db2.gz AXWZBZKJDASECX-KRWDZBQOSA-N 1 2 334.485 3.985 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC13CCCCC3)C2 ZINC000476484627 1033932881 /nfs/dbraw/zinc/93/28/81/1033932881.db2.gz OXTVOOPYTBTWAL-HNNXBMFYSA-N 1 2 329.488 3.963 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC13CCCCC3)CC2 ZINC000476484627 1033932892 /nfs/dbraw/zinc/93/28/92/1033932892.db2.gz OXTVOOPYTBTWAL-HNNXBMFYSA-N 1 2 329.488 3.963 20 0 EHADLO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc2n(n1)CCCC2 ZINC000658123158 1033981120 /nfs/dbraw/zinc/98/11/20/1033981120.db2.gz IKRBXGYJOYCQQB-WBMJQRKESA-N 1 2 345.409 3.760 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc2[nH+]ccn2c1 ZINC000603882358 1034006898 /nfs/dbraw/zinc/00/68/98/1034006898.db2.gz RTUCBYBQKIQQMN-UHFFFAOYSA-N 1 2 330.391 3.901 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000603882913 1034007344 /nfs/dbraw/zinc/00/73/44/1034007344.db2.gz ZZHJUCIGBQGICO-UHFFFAOYSA-N 1 2 344.783 3.957 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc3[nH+]ccn3c2)cc1Cl ZINC000603883571 1034007794 /nfs/dbraw/zinc/00/77/94/1034007794.db2.gz FIFWRNBSQYIWCZ-UHFFFAOYSA-N 1 2 329.787 3.568 20 0 EHADLO C[C@@H]1C[N@H+](CCOCCOc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120684289 1034026463 /nfs/dbraw/zinc/02/64/63/1034026463.db2.gz CRZZSNUWJXJTME-VQIMIIECSA-N 1 2 347.480 3.606 20 0 EHADLO C[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000120684289 1034026482 /nfs/dbraw/zinc/02/64/82/1034026482.db2.gz CRZZSNUWJXJTME-VQIMIIECSA-N 1 2 347.480 3.606 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599594447 1034034253 /nfs/dbraw/zinc/03/42/53/1034034253.db2.gz HCCYVPYZZGKWGU-ZFWWWQNUSA-N 1 2 346.427 3.734 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599594447 1034034269 /nfs/dbraw/zinc/03/42/69/1034034269.db2.gz HCCYVPYZZGKWGU-ZFWWWQNUSA-N 1 2 346.427 3.734 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc2n(n1)CCCC2 ZINC000658171708 1034037906 /nfs/dbraw/zinc/03/79/06/1034037906.db2.gz JWDZEGFOOWEWDM-CYBMUJFWSA-N 1 2 329.419 3.751 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)nn1 ZINC000658175448 1034041849 /nfs/dbraw/zinc/04/18/49/1034041849.db2.gz AZRYYNSZLDYSHD-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@@H]1CCCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869619 1034052132 /nfs/dbraw/zinc/05/21/32/1034052132.db2.gz WZKBWSZTLMISKG-AEFFLSMTSA-N 1 2 340.471 3.678 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000596056093 1034057624 /nfs/dbraw/zinc/05/76/24/1034057624.db2.gz XMOFJMREVBNDDK-LLVKDONJSA-N 1 2 338.329 3.989 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(OC3CCCC3)cc2)c1 ZINC000596105105 1034064695 /nfs/dbraw/zinc/06/46/95/1034064695.db2.gz NQJHUYXLRXZUQX-UHFFFAOYSA-N 1 2 340.423 3.731 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000596155600 1034080722 /nfs/dbraw/zinc/08/07/22/1034080722.db2.gz UODXPMNTBFRGME-STQMWFEESA-N 1 2 330.350 3.578 20 0 EHADLO CCC(CC)(CC)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870337 1034085877 /nfs/dbraw/zinc/08/58/77/1034085877.db2.gz MAIJLJCYUBHYEG-QGZVFWFLSA-N 1 2 342.487 3.972 20 0 EHADLO Cc1cc(C(F)(F)F)cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000596153015 1034094720 /nfs/dbraw/zinc/09/47/20/1034094720.db2.gz WHTOCCAHCGAEGV-LLVKDONJSA-N 1 2 330.350 3.577 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000658212265 1034094960 /nfs/dbraw/zinc/09/49/60/1034094960.db2.gz JYRFVEJTOLWVTN-HXUWFJFHSA-N 1 2 336.414 3.711 20 0 EHADLO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc(C(F)(F)F)cc1 ZINC000350203640 1034124202 /nfs/dbraw/zinc/12/42/02/1034124202.db2.gz IBHMEJUKACBIQS-JTQLQIEISA-N 1 2 336.317 3.565 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2coc(-c3cccs3)n2)[C@H](C)C1 ZINC000599706312 1034131273 /nfs/dbraw/zinc/13/12/73/1034131273.db2.gz LAFJCDINTBGQGL-VXGBXAGGSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2csc(CCC(C)C)n2)[C@@H](C)C1 ZINC000599707537 1034131338 /nfs/dbraw/zinc/13/13/38/1034131338.db2.gz NIYZUSKTPBCVFB-KBPBESRZSA-N 1 2 338.517 3.894 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000596248955 1034135238 /nfs/dbraw/zinc/13/52/38/1034135238.db2.gz OKXOHSWSWONZKE-HDJSIYSDSA-N 1 2 330.815 3.809 20 0 EHADLO Clc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1-c1ccccc1 ZINC000529541528 1034145928 /nfs/dbraw/zinc/14/59/28/1034145928.db2.gz INXQQKFXBPWGEG-FQEVSTJZSA-N 1 2 343.854 3.998 20 0 EHADLO Clc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1-c1ccccc1 ZINC000529541528 1034145937 /nfs/dbraw/zinc/14/59/37/1034145937.db2.gz INXQQKFXBPWGEG-FQEVSTJZSA-N 1 2 343.854 3.998 20 0 EHADLO Brc1csc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001137780279 1034148144 /nfs/dbraw/zinc/14/81/44/1034148144.db2.gz ZEGIWWCCFJFRAW-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1csc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001137780279 1034148152 /nfs/dbraw/zinc/14/81/52/1034148152.db2.gz ZEGIWWCCFJFRAW-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000596255766 1034149717 /nfs/dbraw/zinc/14/97/17/1034149717.db2.gz UBCAEGIZSDJYIX-MRXNPFEDSA-N 1 2 332.350 3.565 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3nc(-c4ccccn4)no3)CCC2)cc1 ZINC000604046117 1034165692 /nfs/dbraw/zinc/16/56/92/1034165692.db2.gz NWGMZVZDPMRMSY-UHFFFAOYSA-N 1 2 340.814 3.954 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C)n2C2CC2)ccc1OC(C)C ZINC000120822147 1034175857 /nfs/dbraw/zinc/17/58/57/1034175857.db2.gz JEGGLOIXJLWZJP-CYBMUJFWSA-N 1 2 344.459 3.568 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120883896 1034198352 /nfs/dbraw/zinc/19/83/52/1034198352.db2.gz UOTOTKQIGCGEOK-SFHVURJKSA-N 1 2 340.423 3.552 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C)cc2C)c1C ZINC000057616085 1034203372 /nfs/dbraw/zinc/20/33/72/1034203372.db2.gz CTRVLJJWLCJXTQ-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000119680035 1034221725 /nfs/dbraw/zinc/22/17/25/1034221725.db2.gz VRQJVVHOCQVBRI-KPZWWZAWSA-N 1 2 342.370 3.607 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1F ZINC000089117628 1034257553 /nfs/dbraw/zinc/25/75/53/1034257553.db2.gz FPMJXEUZXAGFID-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1F ZINC000089117628 1034257572 /nfs/dbraw/zinc/25/75/72/1034257572.db2.gz FPMJXEUZXAGFID-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO CCC(CC)(CC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120983797 1034281503 /nfs/dbraw/zinc/28/15/03/1034281503.db2.gz LYKJCQLEDXBOKY-MRXNPFEDSA-N 1 2 334.508 3.601 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCc2cscn2)CC1 ZINC000450434617 1034322023 /nfs/dbraw/zinc/32/20/23/1034322023.db2.gz DJPYYDZPKMLHOC-AWEZNQCLSA-N 1 2 335.904 3.718 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H]2CCc3ccccc32)c1C ZINC000604321536 1034326916 /nfs/dbraw/zinc/32/69/16/1034326916.db2.gz VSHCXPRJVIQQQF-KRWDZBQOSA-N 1 2 338.451 3.786 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c(C)c[nH+]1 ZINC000534299522 1034358851 /nfs/dbraw/zinc/35/88/51/1034358851.db2.gz JPLMTDRHEFYLRS-GJZGRUSLSA-N 1 2 345.240 3.625 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H](C)c1ccc2ncsc2c1)n1cc[nH+]c1 ZINC000635828798 1034375604 /nfs/dbraw/zinc/37/56/04/1034375604.db2.gz OROQNFWSIPXRBW-CZUORRHYSA-N 1 2 342.468 3.957 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000534331842 1034406401 /nfs/dbraw/zinc/40/64/01/1034406401.db2.gz ZEHGAIFUQJPDOH-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000534331842 1034406407 /nfs/dbraw/zinc/40/64/07/1034406407.db2.gz ZEHGAIFUQJPDOH-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO OC1CC(CCNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450485187 1034413584 /nfs/dbraw/zinc/41/35/84/1034413584.db2.gz ISBNWIATCUCHDH-UHFFFAOYSA-N 1 2 339.208 3.709 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604651959 1034444908 /nfs/dbraw/zinc/44/49/08/1034444908.db2.gz ZABVANLHYMOSOX-QZTJIDSGSA-N 1 2 340.471 3.886 20 0 EHADLO Cc1ccc(OCCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030608435 1034461689 /nfs/dbraw/zinc/46/16/89/1034461689.db2.gz FUPOZSVLBATAIK-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO CC(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cc1 ZINC000450553572 1034517734 /nfs/dbraw/zinc/51/77/34/1034517734.db2.gz JKLCBEGKYJBLKF-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cc1 ZINC000450553572 1034517742 /nfs/dbraw/zinc/51/77/42/1034517742.db2.gz JKLCBEGKYJBLKF-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000604852839 1034526228 /nfs/dbraw/zinc/52/62/28/1034526228.db2.gz BXDZNOAFPGFEDG-UHFFFAOYSA-N 1 2 345.874 3.798 20 0 EHADLO CCOC1CC[NH+](Cn2cc(-c3ccccc3)n(C)c2=S)CC1 ZINC000060445445 1034539815 /nfs/dbraw/zinc/53/98/15/1034539815.db2.gz IMKZJCPTMUVBFF-UHFFFAOYSA-N 1 2 331.485 3.681 20 0 EHADLO Cc1ccnc([C@H](C)[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000375802478 1034557988 /nfs/dbraw/zinc/55/79/88/1034557988.db2.gz UICIOMOWXQBXSK-WMLDXEAASA-N 1 2 337.427 3.883 20 0 EHADLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469657 1034574518 /nfs/dbraw/zinc/57/45/18/1034574518.db2.gz TYFOMSHKMJEBQT-MRXNPFEDSA-N 1 2 331.423 3.722 20 0 EHADLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469657 1034574527 /nfs/dbraw/zinc/57/45/27/1034574527.db2.gz TYFOMSHKMJEBQT-MRXNPFEDSA-N 1 2 331.423 3.722 20 0 EHADLO CCn1c[nH+]cc1CN1CC[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597209082 1034594394 /nfs/dbraw/zinc/59/43/94/1034594394.db2.gz JJFLWBRANUMLLD-KRWDZBQOSA-N 1 2 341.455 3.739 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000450641549 1034607227 /nfs/dbraw/zinc/60/72/27/1034607227.db2.gz HOSDNRFRECBQFY-DZGCQCFKSA-N 1 2 342.455 3.779 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](OC)C2CCCC2)cs1 ZINC000659959307 1034607303 /nfs/dbraw/zinc/60/73/03/1034607303.db2.gz HBAYQHGAGVNETJ-XJKSGUPXSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](OC)C2CCCC2)cs1 ZINC000659959307 1034607310 /nfs/dbraw/zinc/60/73/10/1034607310.db2.gz HBAYQHGAGVNETJ-XJKSGUPXSA-N 1 2 326.506 3.878 20 0 EHADLO CCCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000628254090 1034637719 /nfs/dbraw/zinc/63/77/19/1034637719.db2.gz MCOKAZKLKYJWBW-INIZCTEOSA-N 1 2 328.460 3.574 20 0 EHADLO CSc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000450649841 1034638495 /nfs/dbraw/zinc/63/84/95/1034638495.db2.gz QKZCTSCEKKRRBR-AWEZNQCLSA-N 1 2 346.521 3.989 20 0 EHADLO COCCCC[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000605150690 1034651058 /nfs/dbraw/zinc/65/10/58/1034651058.db2.gz PGPPEMAQXSDVSK-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO COCCCC[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000605150690 1034651065 /nfs/dbraw/zinc/65/10/65/1034651065.db2.gz PGPPEMAQXSDVSK-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO c1cc(-c2noc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)co1 ZINC000605153806 1034651938 /nfs/dbraw/zinc/65/19/38/1034651938.db2.gz CBXGFTBOYLOAIM-HNNXBMFYSA-N 1 2 327.409 3.620 20 0 EHADLO c1cc(-c2noc(C[N@H+]3CCS[C@H](c4ccccc4)C3)n2)co1 ZINC000605153806 1034651948 /nfs/dbraw/zinc/65/19/48/1034651948.db2.gz CBXGFTBOYLOAIM-HNNXBMFYSA-N 1 2 327.409 3.620 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC000450666740 1034665506 /nfs/dbraw/zinc/66/55/06/1034665506.db2.gz UKLZPZPJKDAJCV-CYBMUJFWSA-N 1 2 334.441 3.569 20 0 EHADLO C[C@@H](C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000450711381 1034724944 /nfs/dbraw/zinc/72/49/44/1034724944.db2.gz RLPPSFKTIQHQSD-NSHDSACASA-N 1 2 348.295 3.516 20 0 EHADLO C[C@@H](C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000450711381 1034724956 /nfs/dbraw/zinc/72/49/56/1034724956.db2.gz RLPPSFKTIQHQSD-NSHDSACASA-N 1 2 348.295 3.516 20 0 EHADLO C[C@@H](CNC(=O)c1cc2occc2s1)[N@@H+]1CCc2sccc2C1 ZINC000605453956 1034741087 /nfs/dbraw/zinc/74/10/87/1034741087.db2.gz ZBKCHYUFFQJYDY-NSHDSACASA-N 1 2 346.477 3.732 20 0 EHADLO C[C@@H](CNC(=O)c1cc2occc2s1)[N@H+]1CCc2sccc2C1 ZINC000605453956 1034741098 /nfs/dbraw/zinc/74/10/98/1034741098.db2.gz ZBKCHYUFFQJYDY-NSHDSACASA-N 1 2 346.477 3.732 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)c[nH+]1 ZINC000456848937 1034766922 /nfs/dbraw/zinc/76/69/22/1034766922.db2.gz VHIHMNKIXPITPM-UHFFFAOYSA-N 1 2 348.406 3.556 20 0 EHADLO O=C1CCC(C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000450750877 1034769665 /nfs/dbraw/zinc/76/96/65/1034769665.db2.gz CTBQVGZCNKSTOI-UHFFFAOYSA-N 1 2 341.282 3.875 20 0 EHADLO Cc1nc(CCC(=O)NCc2c[nH+]c(C)cc2C)oc1-c1ccccc1 ZINC000456839226 1034784517 /nfs/dbraw/zinc/78/45/17/1034784517.db2.gz MDEDKCTWQSCWAK-UHFFFAOYSA-N 1 2 349.434 3.911 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c[nH+]1 ZINC000456842321 1034790416 /nfs/dbraw/zinc/79/04/16/1034790416.db2.gz GHFDWWMBQZHGAQ-UHFFFAOYSA-N 1 2 349.434 3.993 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c[nH+]1 ZINC000456865681 1034799855 /nfs/dbraw/zinc/79/98/55/1034799855.db2.gz UAQVYOCZYXXHMN-INIZCTEOSA-N 1 2 326.440 3.906 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C(F)F)c1 ZINC000171543647 1034802119 /nfs/dbraw/zinc/80/21/19/1034802119.db2.gz HCKIWOQVNMNVHN-UHFFFAOYSA-N 1 2 345.393 3.940 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000612347642 1034824503 /nfs/dbraw/zinc/82/45/03/1034824503.db2.gz PDWVNSZBXKTXEM-KGLIPLIRSA-N 1 2 343.393 3.805 20 0 EHADLO CC(C)c1cc(N2CCC([N@H+](C)CC(F)F)CC2)nc(C(C)C)n1 ZINC000761228721 1034833226 /nfs/dbraw/zinc/83/32/26/1034833226.db2.gz AOGFXVVGLCHMET-UHFFFAOYSA-N 1 2 340.462 3.889 20 0 EHADLO CC(C)c1cc(N2CCC([N@@H+](C)CC(F)F)CC2)nc(C(C)C)n1 ZINC000761228721 1034833236 /nfs/dbraw/zinc/83/32/36/1034833236.db2.gz AOGFXVVGLCHMET-UHFFFAOYSA-N 1 2 340.462 3.889 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000530036781 1034889220 /nfs/dbraw/zinc/88/92/20/1034889220.db2.gz FHBSJHSTUSYNTN-PBHICJAKSA-N 1 2 329.419 3.768 20 0 EHADLO O[C@@H]([C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1)C(F)(F)F ZINC000450886133 1034915235 /nfs/dbraw/zinc/91/52/35/1034915235.db2.gz VVWVQRYKUVBGEH-RTHLEPHNSA-N 1 2 348.727 3.777 20 0 EHADLO FC1(c2cccc(Cl)c2)CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450911461 1034933575 /nfs/dbraw/zinc/93/35/75/1034933575.db2.gz ZAOGXCPQGIIHFY-UHFFFAOYSA-N 1 2 348.853 3.802 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612517001 1035023307 /nfs/dbraw/zinc/02/33/07/1035023307.db2.gz FQRHFNJHWLMLPN-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO O=C(N1CCC(CCCn2cc[nH+]c2)CC1)C1(C(F)F)CCCC1 ZINC000570125027 1035066875 /nfs/dbraw/zinc/06/68/75/1035066875.db2.gz DVTZHCBDBJRGLN-UHFFFAOYSA-N 1 2 339.430 3.727 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC001625884037 1035116430 /nfs/dbraw/zinc/11/64/30/1035116430.db2.gz JQWMNORZJUSTBB-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000376136672 1035319368 /nfs/dbraw/zinc/31/93/68/1035319368.db2.gz VKRRPJZWAONZSW-UHFFFAOYSA-N 1 2 349.478 3.751 20 0 EHADLO CCC[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000613009686 1035353473 /nfs/dbraw/zinc/35/34/73/1035353473.db2.gz SCMOHDIGCHHCIU-NVXWUHKLSA-N 1 2 345.874 3.973 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137719 1035417134 /nfs/dbraw/zinc/41/71/34/1035417134.db2.gz DADHIVIODLRWHV-NSHGMRRFSA-N 1 2 348.437 3.963 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137719 1035417136 /nfs/dbraw/zinc/41/71/36/1035417136.db2.gz DADHIVIODLRWHV-NSHGMRRFSA-N 1 2 348.437 3.963 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414073450 1035446450 /nfs/dbraw/zinc/44/64/50/1035446450.db2.gz MBNZFZMIVRKOJA-VXGBXAGGSA-N 1 2 334.441 3.740 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)NC(C)(C)C ZINC000414073984 1035447573 /nfs/dbraw/zinc/44/75/73/1035447573.db2.gz MLABZJLHJWNZRF-QWHCGFSZSA-N 1 2 331.485 3.764 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(Cc1ccccc1)C1CC1)C2 ZINC000376230652 1035477819 /nfs/dbraw/zinc/47/78/19/1035477819.db2.gz XQUWKLQLKPKLIQ-MRXNPFEDSA-N 1 2 337.467 3.829 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(Cc1ccccc1)C1CC1)CC2 ZINC000376230652 1035477823 /nfs/dbraw/zinc/47/78/23/1035477823.db2.gz XQUWKLQLKPKLIQ-MRXNPFEDSA-N 1 2 337.467 3.829 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000613255912 1035478467 /nfs/dbraw/zinc/47/84/67/1035478467.db2.gz VKLYNNPVWKEENE-LJQANCHMSA-N 1 2 347.499 3.736 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431782437 1035481500 /nfs/dbraw/zinc/48/15/00/1035481500.db2.gz OWZWSEZBWFGBTL-LJQANCHMSA-N 1 2 339.483 3.759 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cn1 ZINC000185635725 1035504019 /nfs/dbraw/zinc/50/40/19/1035504019.db2.gz PBFDWBBWXIXMEC-HNNXBMFYSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cn1 ZINC000185635725 1035504023 /nfs/dbraw/zinc/50/40/23/1035504023.db2.gz PBFDWBBWXIXMEC-HNNXBMFYSA-N 1 2 338.224 3.659 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)s1 ZINC000414101549 1035504476 /nfs/dbraw/zinc/50/44/76/1035504476.db2.gz SIHRVJMAMUOZAE-IINYFYTJSA-N 1 2 334.416 3.797 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)C3CCCC3)cn2c1 ZINC000172201490 1035505171 /nfs/dbraw/zinc/50/51/71/1035505171.db2.gz LCKHLSSIDRJRDC-CQSZACIVSA-N 1 2 331.485 3.571 20 0 EHADLO C[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@H]1COc2ccccc21 ZINC000185647757 1035506560 /nfs/dbraw/zinc/50/65/60/1035506560.db2.gz KRTAAATZWLLNBJ-CZUORRHYSA-N 1 2 327.428 3.772 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000173673510 1035565550 /nfs/dbraw/zinc/56/55/50/1035565550.db2.gz SFMKBBJNVBTLIO-HXUWFJFHSA-N 1 2 344.503 3.794 20 0 EHADLO CC1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC(=O)CC1 ZINC000571612684 1035567482 /nfs/dbraw/zinc/56/74/82/1035567482.db2.gz NGOUNPKOYRWUGS-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCC[C@@H]3CCCCO3)c12 ZINC000186078182 1035576960 /nfs/dbraw/zinc/57/69/60/1035576960.db2.gz VFIOFABRIWYBMH-INIZCTEOSA-N 1 2 337.427 3.577 20 0 EHADLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000511487433 1035613314 /nfs/dbraw/zinc/61/33/14/1035613314.db2.gz KVRWJLYYSVTDRT-JQIJEIRASA-N 1 2 340.492 3.918 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(OC(F)F)c1 ZINC000414120597 1035613853 /nfs/dbraw/zinc/61/38/53/1035613853.db2.gz YAIRMSVBAWSWMZ-GFCCVEGCSA-N 1 2 339.386 3.661 20 0 EHADLO COC(=O)c1ccc(CSCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000540726458 1035633608 /nfs/dbraw/zinc/63/36/08/1035633608.db2.gz WTGSNNDZLJGMNP-UHFFFAOYSA-N 1 2 337.466 3.989 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2N(C)C(C)C)s1 ZINC000414126639 1035651482 /nfs/dbraw/zinc/65/14/82/1035651482.db2.gz FGJRAVGNWQTOBV-ZDUSSCGKSA-N 1 2 347.484 3.625 20 0 EHADLO CC[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000492352495 1035652929 /nfs/dbraw/zinc/65/29/29/1035652929.db2.gz BMSRTLFZJRFJLL-GOSISDBHSA-N 1 2 328.481 3.586 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000463590383 1035661756 /nfs/dbraw/zinc/66/17/56/1035661756.db2.gz OYDNFLZRJYGISK-LISAXSMJSA-N 1 2 330.472 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)C2 ZINC000457086664 1035701408 /nfs/dbraw/zinc/70/14/08/1035701408.db2.gz PWBFGVBDKIUANJ-GJZGRUSLSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)CC2 ZINC000457086664 1035701421 /nfs/dbraw/zinc/70/14/21/1035701421.db2.gz PWBFGVBDKIUANJ-GJZGRUSLSA-N 1 2 331.504 3.923 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000186925612 1035720546 /nfs/dbraw/zinc/72/05/46/1035720546.db2.gz DITCRROTGNZXGE-MRXNPFEDSA-N 1 2 341.904 3.898 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000186925612 1035720564 /nfs/dbraw/zinc/72/05/64/1035720564.db2.gz DITCRROTGNZXGE-MRXNPFEDSA-N 1 2 341.904 3.898 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000613392430 1035737880 /nfs/dbraw/zinc/73/78/80/1035737880.db2.gz USMKTESZADFHCI-CPUCHLNUSA-N 1 2 349.837 3.830 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000053124781 1035762771 /nfs/dbraw/zinc/76/27/71/1035762771.db2.gz IHHNLBBAQJERIY-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000053124781 1035762786 /nfs/dbraw/zinc/76/27/86/1035762786.db2.gz IHHNLBBAQJERIY-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000571815272 1035766343 /nfs/dbraw/zinc/76/63/43/1035766343.db2.gz BXSOEDILNGPRSI-GOEBONIOSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000571815272 1035766356 /nfs/dbraw/zinc/76/63/56/1035766356.db2.gz BXSOEDILNGPRSI-GOEBONIOSA-N 1 2 341.398 3.686 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[S@](=O)Cc2ccc(C)[nH+]c2C)s1 ZINC000187179535 1035779970 /nfs/dbraw/zinc/77/99/70/1035779970.db2.gz MDXIEPASEQWNSL-JOCHJYFZSA-N 1 2 348.415 3.931 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187218880 1035788511 /nfs/dbraw/zinc/78/85/11/1035788511.db2.gz KFHAAHKINBBLNP-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO Cc1cc(C)c(NC(=O)C[S@@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187219215 1035788585 /nfs/dbraw/zinc/78/85/85/1035788585.db2.gz UPNKSLSQGVRDKN-DEOSSOPVSA-N 1 2 344.480 3.511 20 0 EHADLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000669885187 1035798332 /nfs/dbraw/zinc/79/83/32/1035798332.db2.gz UVGJKZKZSQCWGQ-OAHLLOKOSA-N 1 2 346.500 3.908 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2c(C)cccc2C)c(C)[nH+]1 ZINC000187239094 1035798518 /nfs/dbraw/zinc/79/85/18/1035798518.db2.gz DQJNGKTWXVFTMF-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO CCc1ccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000613412918 1035805413 /nfs/dbraw/zinc/80/54/13/1035805413.db2.gz YRVPHQRMHRCDFJ-UHFFFAOYSA-N 1 2 334.423 3.859 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000613412918 1035805428 /nfs/dbraw/zinc/80/54/28/1035805428.db2.gz YRVPHQRMHRCDFJ-UHFFFAOYSA-N 1 2 334.423 3.859 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C)nc3C)n2)c1 ZINC000187534124 1035838730 /nfs/dbraw/zinc/83/87/30/1035838730.db2.gz OAMOBYDKPRQIPI-CQSZACIVSA-N 1 2 338.411 3.608 20 0 EHADLO CN1CCC[C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc21 ZINC000571972190 1035854051 /nfs/dbraw/zinc/85/40/51/1035854051.db2.gz ZSFOZAIBMPKTAO-SFHVURJKSA-N 1 2 348.450 3.721 20 0 EHADLO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669271520 1035884107 /nfs/dbraw/zinc/88/41/07/1035884107.db2.gz VVTJWJXPRADUDI-MKXGPGLRSA-N 1 2 337.467 3.627 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000588641495 1035938410 /nfs/dbraw/zinc/93/84/10/1035938410.db2.gz PYRMMIYXWKOPFT-UHFFFAOYSA-N 1 2 329.469 3.619 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c(C)c[nH+]1 ZINC000535060225 1035942768 /nfs/dbraw/zinc/94/27/68/1035942768.db2.gz SSUCFYVKKMUYFV-CYBMUJFWSA-N 1 2 340.452 3.955 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535061258 1035945970 /nfs/dbraw/zinc/94/59/70/1035945970.db2.gz VDMLRFQKAJQUNZ-MRXNPFEDSA-N 1 2 327.428 3.857 20 0 EHADLO Cc1ncc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)o1 ZINC000414188783 1035959737 /nfs/dbraw/zinc/95/97/37/1035959737.db2.gz RPMHYHARKGLIQX-ZDUSSCGKSA-N 1 2 325.181 3.662 20 0 EHADLO C[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572049175 1035960990 /nfs/dbraw/zinc/96/09/90/1035960990.db2.gz LRXOLDXTIBJLLD-ZACQAIPSSA-N 1 2 344.503 3.545 20 0 EHADLO CC1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000572057632 1035962724 /nfs/dbraw/zinc/96/27/24/1035962724.db2.gz FKGJYNUFJLWBAI-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO Cc1ccccc1[C@H]1CN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)CO1 ZINC000541090151 1035975303 /nfs/dbraw/zinc/97/53/03/1035975303.db2.gz MCRFMZMRIHDFKA-MGPUTAFESA-N 1 2 337.467 3.939 20 0 EHADLO Cc1cc(-c2ncccc2NC(=O)NCCCn2cc[nH+]c2)cs1 ZINC000189201775 1036032554 /nfs/dbraw/zinc/03/25/54/1036032554.db2.gz LNLOQXPPWCOGBQ-UHFFFAOYSA-N 1 2 341.440 3.527 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc2c(c1)CCC2 ZINC000613483482 1036033331 /nfs/dbraw/zinc/03/33/31/1036033331.db2.gz ZGOWUIDQLGDYFT-UHFFFAOYSA-N 1 2 338.426 3.918 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc2c(c1)CCC2 ZINC000613483482 1036033343 /nfs/dbraw/zinc/03/33/43/1036033343.db2.gz ZGOWUIDQLGDYFT-UHFFFAOYSA-N 1 2 338.426 3.918 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572246556 1036056488 /nfs/dbraw/zinc/05/64/88/1036056488.db2.gz GQYOMWSLLBDSCI-KNBMTAEXSA-N 1 2 325.456 3.910 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000174753467 1036095358 /nfs/dbraw/zinc/09/53/58/1036095358.db2.gz ORZXGVXAPMTBOX-UHFFFAOYSA-N 1 2 331.847 3.525 20 0 EHADLO CC(C)[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000535152477 1036112751 /nfs/dbraw/zinc/11/27/51/1036112751.db2.gz HHKQWKNFMIIOCG-LJQANCHMSA-N 1 2 343.446 3.969 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000613501963 1036131367 /nfs/dbraw/zinc/13/13/67/1036131367.db2.gz SFPOJJQULSHVSI-OAHLLOKOSA-N 1 2 339.439 3.624 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000613501963 1036131378 /nfs/dbraw/zinc/13/13/78/1036131378.db2.gz SFPOJJQULSHVSI-OAHLLOKOSA-N 1 2 339.439 3.624 20 0 EHADLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174979827 1036156854 /nfs/dbraw/zinc/15/68/54/1036156854.db2.gz ZSOBAKDUJWGUHW-APWZRJJASA-N 1 2 329.465 3.543 20 0 EHADLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174979827 1036156856 /nfs/dbraw/zinc/15/68/56/1036156856.db2.gz ZSOBAKDUJWGUHW-APWZRJJASA-N 1 2 329.465 3.543 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2nccc(OC)c2OC)s1 ZINC000190598081 1036250910 /nfs/dbraw/zinc/25/09/10/1036250910.db2.gz FMCHFPJHOVMPMB-LBPRGKRZSA-N 1 2 335.473 3.619 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2nccc(OC)c2OC)s1 ZINC000190598081 1036250930 /nfs/dbraw/zinc/25/09/30/1036250930.db2.gz FMCHFPJHOVMPMB-LBPRGKRZSA-N 1 2 335.473 3.619 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1[nH]ccc1C1CC1 ZINC000457558022 1036254855 /nfs/dbraw/zinc/25/48/55/1036254855.db2.gz WICGHTHWHYHUFZ-UHFFFAOYSA-N 1 2 338.455 3.598 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000102345309 1036294192 /nfs/dbraw/zinc/29/41/92/1036294192.db2.gz FTJLDRITLMKUDW-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000464348276 1036352819 /nfs/dbraw/zinc/35/28/19/1036352819.db2.gz NSCYELLKROYVIP-UHFFFAOYSA-N 1 2 349.356 3.736 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC000414265770 1036357255 /nfs/dbraw/zinc/35/72/55/1036357255.db2.gz LSZPYYAMJNXNCG-AWEZNQCLSA-N 1 2 349.360 3.774 20 0 EHADLO Cc1cc(CCCC(=O)NCCCNc2cccc[nH+]2)c(C)s1 ZINC000175427857 1036357601 /nfs/dbraw/zinc/35/76/01/1036357601.db2.gz AXWPQVACNMSRKG-UHFFFAOYSA-N 1 2 331.485 3.701 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000175455606 1036370011 /nfs/dbraw/zinc/37/00/11/1036370011.db2.gz MOACDYRSXCZDJK-HOTGVXAUSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000175455606 1036370026 /nfs/dbraw/zinc/37/00/26/1036370026.db2.gz MOACDYRSXCZDJK-HOTGVXAUSA-N 1 2 329.362 3.648 20 0 EHADLO c1cn(-c2ccc(CNc3ccnc(-c4ccccc4)n3)cc2)c[nH+]1 ZINC000729181796 1036394551 /nfs/dbraw/zinc/39/45/51/1036394551.db2.gz IIRHDMDQZGABJL-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191580445 1036414563 /nfs/dbraw/zinc/41/45/63/1036414563.db2.gz JEKWRWYAMDAVPY-UHFFFAOYSA-N 1 2 343.434 3.656 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccsc3n2)c(OC)c1 ZINC000064344824 1036460505 /nfs/dbraw/zinc/46/05/05/1036460505.db2.gz ZBLNKOBCMKAZQR-MRXNPFEDSA-N 1 2 343.452 3.750 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccsc3n2)c(OC)c1 ZINC000064344824 1036460515 /nfs/dbraw/zinc/46/05/15/1036460515.db2.gz ZBLNKOBCMKAZQR-MRXNPFEDSA-N 1 2 343.452 3.750 20 0 EHADLO COc1cccc(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000032506664 1036505399 /nfs/dbraw/zinc/50/53/99/1036505399.db2.gz OUXVUTBQYQLCLS-UHFFFAOYSA-N 1 2 332.403 3.898 20 0 EHADLO COc1cccc(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000032506664 1036505419 /nfs/dbraw/zinc/50/54/19/1036505419.db2.gz OUXVUTBQYQLCLS-UHFFFAOYSA-N 1 2 332.403 3.898 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332904511 1036518337 /nfs/dbraw/zinc/51/83/37/1036518337.db2.gz QNPFTIYLEZRJGT-CVEARBPZSA-N 1 2 330.476 3.802 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C/c2ccccc2F)c1C ZINC000175940119 1036534282 /nfs/dbraw/zinc/53/42/82/1036534282.db2.gz DEVZWESXVOMCMA-VQHVLOKHSA-N 1 2 342.414 3.908 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)cc2F)c1 ZINC000589597113 1036561551 /nfs/dbraw/zinc/56/15/51/1036561551.db2.gz QAJBWWHXOBKPJF-UHFFFAOYSA-N 1 2 346.421 3.983 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)cc2F)c1 ZINC000589597113 1036561559 /nfs/dbraw/zinc/56/15/59/1036561559.db2.gz QAJBWWHXOBKPJF-UHFFFAOYSA-N 1 2 346.421 3.983 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Br)cc3cccnc32)o1 ZINC000541685515 1036570782 /nfs/dbraw/zinc/57/07/82/1036570782.db2.gz QWURTOOVXTZUKK-SECBINFHSA-N 1 2 347.216 3.540 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000032509372 1036571208 /nfs/dbraw/zinc/57/12/08/1036571208.db2.gz LHOXQEWUHLEKES-UHFFFAOYSA-N 1 2 336.804 3.749 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000032509372 1036571228 /nfs/dbraw/zinc/57/12/28/1036571228.db2.gz LHOXQEWUHLEKES-UHFFFAOYSA-N 1 2 336.804 3.749 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193146017 1036589857 /nfs/dbraw/zinc/58/98/57/1036589857.db2.gz CPAKAOUDJLMEHL-CYBMUJFWSA-N 1 2 343.456 3.743 20 0 EHADLO CCOC(=O)c1coc(C[NH2+]Cc2ccc(Cl)cc2OCC)c1 ZINC000354451129 1036606041 /nfs/dbraw/zinc/60/60/41/1036606041.db2.gz AKEHJAXADSBFTJ-UHFFFAOYSA-N 1 2 337.803 3.798 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](CCc1ccccn1)CC2 ZINC000186198450 1036647645 /nfs/dbraw/zinc/64/76/45/1036647645.db2.gz MRKXSWWBPLKYSI-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](CCc1ccccn1)CC2 ZINC000186198450 1036647659 /nfs/dbraw/zinc/64/76/59/1036647659.db2.gz MRKXSWWBPLKYSI-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000376419004 1036652536 /nfs/dbraw/zinc/65/25/36/1036652536.db2.gz FDBMLKLOMJVIAL-WBVHZDCISA-N 1 2 345.874 3.655 20 0 EHADLO O=C(NCCCC1CCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000914117840 1036662703 /nfs/dbraw/zinc/66/27/03/1036662703.db2.gz DNVWHMOYYKFVTH-UHFFFAOYSA-N 1 2 330.476 3.638 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CCS2 ZINC000414325406 1036690060 /nfs/dbraw/zinc/69/00/60/1036690060.db2.gz MCJOUJRPJWHBBO-CYBMUJFWSA-N 1 2 333.482 3.751 20 0 EHADLO c1csc(-c2nc(C[NH+]3CCC(Nc4ccccn4)CC3)co2)c1 ZINC000535576654 1036691769 /nfs/dbraw/zinc/69/17/69/1036691769.db2.gz QLUHPGRUOYUSMK-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000176806457 1036697027 /nfs/dbraw/zinc/69/70/27/1036697027.db2.gz HFOXEUMMVMIMOE-MRXNPFEDSA-N 1 2 325.391 3.846 20 0 EHADLO COc1ccccc1[C@H]([NH2+]C[C@H](O)C(F)F)c1ccccc1Cl ZINC000493104834 1036699803 /nfs/dbraw/zinc/69/98/03/1036699803.db2.gz OGJLFGTZNZULFZ-GOEBONIOSA-N 1 2 341.785 3.654 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000170718332 1036700781 /nfs/dbraw/zinc/70/07/81/1036700781.db2.gz HOHJFTYOTVKWLM-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000170718332 1036700798 /nfs/dbraw/zinc/70/07/98/1036700798.db2.gz HOHJFTYOTVKWLM-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725072 1036701820 /nfs/dbraw/zinc/70/18/20/1036701820.db2.gz LQZLKPIEEOKGGA-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725072 1036701845 /nfs/dbraw/zinc/70/18/45/1036701845.db2.gz LQZLKPIEEOKGGA-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@@H]3CCC(C)C)[nH+]c12 ZINC000590028547 1036714339 /nfs/dbraw/zinc/71/43/39/1036714339.db2.gz FJNMMUBMOJLDFQ-AEFFLSMTSA-N 1 2 327.472 3.906 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)o1 ZINC000580065999 1036733330 /nfs/dbraw/zinc/73/33/30/1036733330.db2.gz HKIFMMYVSBRZIE-JLSDUUJJSA-N 1 2 349.434 3.965 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525155 1036746531 /nfs/dbraw/zinc/74/65/31/1036746531.db2.gz CSEUIYCTGDPZRT-FUHWJXTLSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525155 1036746548 /nfs/dbraw/zinc/74/65/48/1036746548.db2.gz CSEUIYCTGDPZRT-FUHWJXTLSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccc(NC(=O)N(Cc2cccs2)C2CC2)c(N(C)C)[nH+]1 ZINC000162081865 1036749399 /nfs/dbraw/zinc/74/93/99/1036749399.db2.gz LCOXIQXPRBQMNU-UHFFFAOYSA-N 1 2 330.457 3.714 20 0 EHADLO O=C1NCC[N@@H+](CCCc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000464767346 1036758282 /nfs/dbraw/zinc/75/82/82/1036758282.db2.gz WFOAIXLNWOMXSA-INIZCTEOSA-N 1 2 334.872 3.507 20 0 EHADLO O=C1NCC[N@H+](CCCc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000464767346 1036758298 /nfs/dbraw/zinc/75/82/98/1036758298.db2.gz WFOAIXLNWOMXSA-INIZCTEOSA-N 1 2 334.872 3.507 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462263301 1036759418 /nfs/dbraw/zinc/75/94/18/1036759418.db2.gz WUHQXELVAYDXBB-HQQPKKBNSA-N 1 2 338.854 3.777 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462263301 1036759429 /nfs/dbraw/zinc/75/94/29/1036759429.db2.gz WUHQXELVAYDXBB-HQQPKKBNSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789206 1036788858 /nfs/dbraw/zinc/78/88/58/1036788858.db2.gz NXKSKDHZOBQUIR-XJKSGUPXSA-N 1 2 340.558 3.779 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789206 1036788874 /nfs/dbraw/zinc/78/88/74/1036788874.db2.gz NXKSKDHZOBQUIR-XJKSGUPXSA-N 1 2 340.558 3.779 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000103064095 1036830937 /nfs/dbraw/zinc/83/09/37/1036830937.db2.gz HDNMDDXBODVOJD-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCC[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCC1 ZINC001299212292 1036837329 /nfs/dbraw/zinc/83/73/29/1036837329.db2.gz KZTNGIAECHVFPM-QGZVFWFLSA-N 1 2 345.512 3.961 20 0 EHADLO FC(F)Sc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000180456028 1036865869 /nfs/dbraw/zinc/86/58/69/1036865869.db2.gz ITZAWMYIBKJYKN-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO FC(F)Sc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000180456028 1036865875 /nfs/dbraw/zinc/86/58/75/1036865875.db2.gz ITZAWMYIBKJYKN-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830380 1036866925 /nfs/dbraw/zinc/86/69/25/1036866925.db2.gz ACXDIXCQTCMSET-PBHICJAKSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830380 1036866951 /nfs/dbraw/zinc/86/69/51/1036866951.db2.gz ACXDIXCQTCMSET-PBHICJAKSA-N 1 2 346.496 3.993 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)Cc3ccccc3C)[nH+]c12 ZINC000590464156 1036878361 /nfs/dbraw/zinc/87/83/61/1036878361.db2.gz SJFMJCYJBBCUNG-UHFFFAOYSA-N 1 2 335.451 3.631 20 0 EHADLO CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177786109 1036934237 /nfs/dbraw/zinc/93/42/37/1036934237.db2.gz LIMASRIEVUZSJQ-UHFFFAOYSA-N 1 2 342.830 3.719 20 0 EHADLO CCc1ncc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)cn1 ZINC000414357567 1036943641 /nfs/dbraw/zinc/94/36/41/1036943641.db2.gz AHNVGBQWYAMMJN-UHFFFAOYSA-N 1 2 330.379 3.539 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)Sc3nc(N)cc(C)[nH+]3)o2)cc1 ZINC000006980321 1036960831 /nfs/dbraw/zinc/96/08/31/1036960831.db2.gz JVTKWIVULYAFSS-NSHDSACASA-N 1 2 327.413 3.579 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)n1 ZINC000590599991 1036963676 /nfs/dbraw/zinc/96/36/76/1036963676.db2.gz IPAYVIJJIFVQAC-UONOGXRCSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)n1 ZINC000590599991 1036963685 /nfs/dbraw/zinc/96/36/85/1036963685.db2.gz IPAYVIJJIFVQAC-UONOGXRCSA-N 1 2 332.473 3.658 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528846 1036965663 /nfs/dbraw/zinc/96/56/63/1036965663.db2.gz QLJRYKGPCSLBEO-WMZOPIPTSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528846 1036965682 /nfs/dbraw/zinc/96/56/82/1036965682.db2.gz QLJRYKGPCSLBEO-WMZOPIPTSA-N 1 2 347.462 3.849 20 0 EHADLO CNc1ccc(Nc2cc(-c3ccc(F)cc3)sc2C(N)=O)c[nH+]1 ZINC001203449563 1037002839 /nfs/dbraw/zinc/00/28/39/1037002839.db2.gz JCABGOPMZBKOMH-UHFFFAOYSA-N 1 2 342.399 3.833 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728724 1037008458 /nfs/dbraw/zinc/00/84/58/1037008458.db2.gz GXTNHADYVKFEGQ-NCXUSEDFSA-N 1 2 347.503 3.524 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000178354830 1037028404 /nfs/dbraw/zinc/02/84/04/1037028404.db2.gz PRCMMZVYEGMWKR-UXHICEINSA-N 1 2 341.414 3.907 20 0 EHADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2cccc(Cl)c2)CCC1 ZINC000590733376 1037035742 /nfs/dbraw/zinc/03/57/42/1037035742.db2.gz UPLNLOWPZFUJMS-QGZVFWFLSA-N 1 2 343.858 3.822 20 0 EHADLO C[C@H]1C[C@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235611512 1037038494 /nfs/dbraw/zinc/03/84/94/1037038494.db2.gz PKGJWAGGEUSJLS-CBAPKCEASA-N 1 2 349.066 3.663 20 0 EHADLO CC(=O)N1CCc2cc(NCc3cc(C)[nH+]c4c3CCCC4)ccc21 ZINC000892641139 1037050658 /nfs/dbraw/zinc/05/06/58/1037050658.db2.gz RVMIGHMBQKYWFU-UHFFFAOYSA-N 1 2 335.451 3.790 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178554297 1037060391 /nfs/dbraw/zinc/06/03/91/1037060391.db2.gz UNVIVZHOTGXROM-MRXNPFEDSA-N 1 2 328.460 3.509 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1nc(-c3cccs3)no1)C2 ZINC000590789514 1037061572 /nfs/dbraw/zinc/06/15/72/1037061572.db2.gz ZMOYDNJCAYSIEQ-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1nc(-c3cccs3)no1)C2 ZINC000590789514 1037061594 /nfs/dbraw/zinc/06/15/94/1037061594.db2.gz ZMOYDNJCAYSIEQ-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000178604279 1037065768 /nfs/dbraw/zinc/06/57/68/1037065768.db2.gz ITORFWAAZHFQFX-CQSZACIVSA-N 1 2 332.423 3.589 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000892644519 1037092243 /nfs/dbraw/zinc/09/22/43/1037092243.db2.gz FMRYMVMOACVKTP-GFCCVEGCSA-N 1 2 344.484 3.690 20 0 EHADLO CCc1nc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2s1 ZINC000646517162 1037102024 /nfs/dbraw/zinc/10/20/24/1037102024.db2.gz HEFPCWDQIWNCKL-UHFFFAOYSA-N 1 2 343.456 3.657 20 0 EHADLO O=C(CCCCc1ccc(Cl)c(Cl)c1)NCCc1[nH]cc[nH+]1 ZINC000178797620 1037102014 /nfs/dbraw/zinc/10/20/14/1037102014.db2.gz IMKDMDGJQJNGJP-UHFFFAOYSA-N 1 2 340.254 3.788 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892645921 1037117714 /nfs/dbraw/zinc/11/77/14/1037117714.db2.gz QOGLNKLSQNOKOW-ZDUSSCGKSA-N 1 2 346.500 3.936 20 0 EHADLO Clc1cnc(CN2CCC(Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000539729921 1037130191 /nfs/dbraw/zinc/13/01/91/1037130191.db2.gz ZNGWXGBRGNVKRU-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO CCC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000465129792 1037162536 /nfs/dbraw/zinc/16/25/36/1037162536.db2.gz OKWAXYVCJVSLNG-AWEZNQCLSA-N 1 2 338.442 3.872 20 0 EHADLO CCC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000465129792 1037162544 /nfs/dbraw/zinc/16/25/44/1037162544.db2.gz OKWAXYVCJVSLNG-AWEZNQCLSA-N 1 2 338.442 3.872 20 0 EHADLO C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(C)(C)C ZINC000472604260 1037176840 /nfs/dbraw/zinc/17/68/40/1037176840.db2.gz OSCOWEIQPDCPJR-KKUMJFAQSA-N 1 2 340.508 3.849 20 0 EHADLO C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(C)(C)C ZINC000472604260 1037176849 /nfs/dbraw/zinc/17/68/49/1037176849.db2.gz OSCOWEIQPDCPJR-KKUMJFAQSA-N 1 2 340.508 3.849 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1Br ZINC000104077366 1037180436 /nfs/dbraw/zinc/18/04/36/1037180436.db2.gz RWICJAZKRSXJQX-VXGBXAGGSA-N 1 2 325.250 3.651 20 0 EHADLO Cc1occc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000414384030 1037182801 /nfs/dbraw/zinc/18/28/01/1037182801.db2.gz TUHNIBJQJHRBTH-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1occc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000414384030 1037182808 /nfs/dbraw/zinc/18/28/08/1037182808.db2.gz TUHNIBJQJHRBTH-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000152516893 1037184282 /nfs/dbraw/zinc/18/42/82/1037184282.db2.gz MJSNQCKQORJCHP-VWILAXROSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1ccccc1/C=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000493247745 1037195170 /nfs/dbraw/zinc/19/51/70/1037195170.db2.gz DSKLXTQFIAHJDB-KHPPLWFESA-N 1 2 331.419 3.569 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1C ZINC000591053354 1037202819 /nfs/dbraw/zinc/20/28/19/1037202819.db2.gz LBRJLPITBWUALL-QGZVFWFLSA-N 1 2 340.442 3.962 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000542268213 1037215841 /nfs/dbraw/zinc/21/58/41/1037215841.db2.gz MHZGCYLSKSFAIL-SFHVURJKSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000591138334 1037233240 /nfs/dbraw/zinc/23/32/40/1037233240.db2.gz YQEAYBYGLMWPKN-UHFFFAOYSA-N 1 2 349.438 3.571 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccccc3C)no2)cc1 ZINC000052711141 1037269668 /nfs/dbraw/zinc/26/96/68/1037269668.db2.gz WKIWBRNQLPNLKH-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccccc3C)no2)cc1 ZINC000052711141 1037269685 /nfs/dbraw/zinc/26/96/85/1037269685.db2.gz WKIWBRNQLPNLKH-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000591249469 1037270449 /nfs/dbraw/zinc/27/04/49/1037270449.db2.gz QZTNVUHPMPVSKH-CQSZACIVSA-N 1 2 344.842 3.986 20 0 EHADLO C/C=C(/C=C\C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC ZINC000493347709 1037286852 /nfs/dbraw/zinc/28/68/52/1037286852.db2.gz DLHHGVULSSCJRI-FKTHQISDSA-N 1 2 327.472 3.838 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)s1 ZINC000669931527 1037327806 /nfs/dbraw/zinc/32/78/06/1037327806.db2.gz RPARVKIZCGQIJF-KBPBESRZSA-N 1 2 342.512 3.823 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000669851643 1037374868 /nfs/dbraw/zinc/37/48/68/1037374868.db2.gz RRZDXMGAMAJWJI-CQSZACIVSA-N 1 2 340.452 3.553 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(C(F)(F)F)c1 ZINC001143479039 1037375806 /nfs/dbraw/zinc/37/58/06/1037375806.db2.gz PXNOYFBDRNORAA-INIZCTEOSA-N 1 2 337.345 3.841 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(C(F)(F)F)c1 ZINC001143479039 1037375826 /nfs/dbraw/zinc/37/58/26/1037375826.db2.gz PXNOYFBDRNORAA-INIZCTEOSA-N 1 2 337.345 3.841 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000088520037 1037379238 /nfs/dbraw/zinc/37/92/38/1037379238.db2.gz XRIWQPQUGCTEEX-CYBMUJFWSA-N 1 2 336.482 3.809 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000088520037 1037379267 /nfs/dbraw/zinc/37/92/67/1037379267.db2.gz XRIWQPQUGCTEEX-CYBMUJFWSA-N 1 2 336.482 3.809 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1snc(Cl)c1Cl ZINC001625885912 1037382627 /nfs/dbraw/zinc/38/26/27/1037382627.db2.gz WPNPFMQJLZYVDU-UHFFFAOYSA-N 1 2 339.207 3.888 20 0 EHADLO Cc1ccc(C[N@H+](Cc2csc(Br)c2)C2CC2)nn1 ZINC000414403575 1037392529 /nfs/dbraw/zinc/39/25/29/1037392529.db2.gz GXJGIMKFWAPVRS-UHFFFAOYSA-N 1 2 338.274 3.774 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2csc(Br)c2)C2CC2)nn1 ZINC000414403575 1037392547 /nfs/dbraw/zinc/39/25/47/1037392547.db2.gz GXJGIMKFWAPVRS-UHFFFAOYSA-N 1 2 338.274 3.774 20 0 EHADLO O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000491382300 1037437877 /nfs/dbraw/zinc/43/78/77/1037437877.db2.gz IYVHBRLLMWEYQB-RQOWECAXSA-N 1 2 333.794 3.553 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000493509051 1037438225 /nfs/dbraw/zinc/43/82/25/1037438225.db2.gz ACTPRQHZPCYOEV-DZGCQCFKSA-N 1 2 348.491 3.648 20 0 EHADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000171079560 1037447335 /nfs/dbraw/zinc/44/73/35/1037447335.db2.gz LUXQSXBXWWBKCE-UHFFFAOYSA-N 1 2 344.846 3.521 20 0 EHADLO C[NH+](C)[C@H](CNc1ccc2ccc(F)cc2n1)c1c(F)cccc1F ZINC000462830935 1037453918 /nfs/dbraw/zinc/45/39/18/1037453918.db2.gz CEYIFLIXSUOJIU-QGZVFWFLSA-N 1 2 345.368 3.789 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000376528154 1037457065 /nfs/dbraw/zinc/45/70/65/1037457065.db2.gz NSOOTAAXNINFPX-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1nc3ccsc3s1)C2 ZINC000573313571 1037461426 /nfs/dbraw/zinc/46/14/26/1037461426.db2.gz LXBKTPJZCPYLOW-VIFPVBQESA-N 1 2 346.481 3.948 20 0 EHADLO CC(C)Oc1ncccc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000573334952 1037472783 /nfs/dbraw/zinc/47/27/83/1037472783.db2.gz AQAZOZMJMXSYSZ-INIZCTEOSA-N 1 2 347.846 3.764 20 0 EHADLO CCC(CC)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000591521498 1037474341 /nfs/dbraw/zinc/47/43/41/1037474341.db2.gz PIMVPPQFXJJKLW-OAHLLOKOSA-N 1 2 333.476 3.638 20 0 EHADLO C/C=C(/C=C/C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)CC ZINC000493599182 1037484227 /nfs/dbraw/zinc/48/42/27/1037484227.db2.gz RCPSGDLOFRYORY-CQRODTLXSA-N 1 2 328.456 3.678 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1c(F)cncc1F ZINC000573391902 1037504603 /nfs/dbraw/zinc/50/46/03/1037504603.db2.gz VFGWCNACLFOXLN-GFCCVEGCSA-N 1 2 326.350 3.668 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1OC(F)F)CC2 ZINC000540044181 1037514753 /nfs/dbraw/zinc/51/47/53/1037514753.db2.gz VNFLMWQUQRLJKH-UHFFFAOYSA-N 1 2 347.361 3.633 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000540044181 1037514761 /nfs/dbraw/zinc/51/47/61/1037514761.db2.gz VNFLMWQUQRLJKH-UHFFFAOYSA-N 1 2 347.361 3.633 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 ZINC000532478126 1037515945 /nfs/dbraw/zinc/51/59/45/1037515945.db2.gz XVQKLSRZFZRIEF-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 ZINC000532478126 1037515959 /nfs/dbraw/zinc/51/59/59/1037515959.db2.gz XVQKLSRZFZRIEF-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000152716139 1037579322 /nfs/dbraw/zinc/57/93/22/1037579322.db2.gz DJDFXLMGVJNIJF-HNNXBMFYSA-N 1 2 346.500 3.610 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000152716139 1037579342 /nfs/dbraw/zinc/57/93/42/1037579342.db2.gz DJDFXLMGVJNIJF-HNNXBMFYSA-N 1 2 346.500 3.610 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000493729615 1037586738 /nfs/dbraw/zinc/58/67/38/1037586738.db2.gz WKZXYZHXRIGLKE-FPLPWBNLSA-N 1 2 335.329 3.633 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000493731483 1037588867 /nfs/dbraw/zinc/58/88/67/1037588867.db2.gz XMDYXSMOTYZSHQ-SSCKDZNOSA-N 1 2 339.439 3.608 20 0 EHADLO Cn1cc2cccc(CNc3cc[nH+]c(OCc4ccccn4)c3)c2n1 ZINC001168207697 1037599966 /nfs/dbraw/zinc/59/99/66/1037599966.db2.gz VDHQBNBBNDADKX-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000303636671 1037624254 /nfs/dbraw/zinc/62/42/54/1037624254.db2.gz RHQQGYKWPADDLY-FQEVSTJZSA-N 1 2 344.405 3.957 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000303636671 1037624259 /nfs/dbraw/zinc/62/42/59/1037624259.db2.gz RHQQGYKWPADDLY-FQEVSTJZSA-N 1 2 344.405 3.957 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1sccc1Br ZINC000540155666 1037630938 /nfs/dbraw/zinc/63/09/38/1037630938.db2.gz AWYWJDJNOUXNQA-LDYMZIIASA-N 1 2 326.263 3.962 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1sccc1Br ZINC000540155666 1037630949 /nfs/dbraw/zinc/63/09/49/1037630949.db2.gz AWYWJDJNOUXNQA-LDYMZIIASA-N 1 2 326.263 3.962 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812262 1037652603 /nfs/dbraw/zinc/65/26/03/1037652603.db2.gz WVHQGVCLPCRIAS-HXUWFJFHSA-N 1 2 338.451 3.651 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812262 1037652618 /nfs/dbraw/zinc/65/26/18/1037652618.db2.gz WVHQGVCLPCRIAS-HXUWFJFHSA-N 1 2 338.451 3.651 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000463029751 1037686144 /nfs/dbraw/zinc/68/61/44/1037686144.db2.gz SVSLJHOVBHYOPE-UHFFFAOYSA-N 1 2 333.790 3.865 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000613684436 1037732192 /nfs/dbraw/zinc/73/21/92/1037732192.db2.gz GKMMJFGPPJSHAH-ZWKOPEQDSA-N 1 2 338.238 3.708 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111749409 1037742511 /nfs/dbraw/zinc/74/25/11/1037742511.db2.gz VAMNUXFNPFSJLN-UHFFFAOYSA-N 1 2 346.406 3.678 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780769 1037763911 /nfs/dbraw/zinc/76/39/11/1037763911.db2.gz ZVFRSPYUCXEYFP-CVEARBPZSA-N 1 2 326.444 3.566 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780769 1037763940 /nfs/dbraw/zinc/76/39/40/1037763940.db2.gz ZVFRSPYUCXEYFP-CVEARBPZSA-N 1 2 326.444 3.566 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000058297123 1037782199 /nfs/dbraw/zinc/78/21/99/1037782199.db2.gz MMKSGYJQLLSWAY-CQSZACIVSA-N 1 2 346.390 3.510 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000494007872 1037790170 /nfs/dbraw/zinc/79/01/70/1037790170.db2.gz COGZTYBPXSXCHU-ZFWWWQNUSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000494007872 1037790187 /nfs/dbraw/zinc/79/01/87/1037790187.db2.gz COGZTYBPXSXCHU-ZFWWWQNUSA-N 1 2 349.475 3.820 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2c(F)cccc2F)n1 ZINC000592075977 1037828942 /nfs/dbraw/zinc/82/89/42/1037828942.db2.gz SVENYYWTOTXDHY-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2c(F)cccc2F)n1 ZINC000592075977 1037828961 /nfs/dbraw/zinc/82/89/61/1037828961.db2.gz SVENYYWTOTXDHY-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000592158388 1037834366 /nfs/dbraw/zinc/83/43/66/1037834366.db2.gz CBTULCMMIZSAPW-UHFFFAOYSA-N 1 2 336.501 3.964 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C2(c3cccc(C)c3)CCC2)cs1 ZINC000592145982 1037849232 /nfs/dbraw/zinc/84/92/32/1037849232.db2.gz HSYRLDJBWPSLLL-UHFFFAOYSA-N 1 2 330.453 3.797 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C\C1CCC1 ZINC000492051894 1037905603 /nfs/dbraw/zinc/90/56/03/1037905603.db2.gz SYEHSFRLXRVHSS-KTKRTIGZSA-N 1 2 327.472 3.503 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000540460654 1037960978 /nfs/dbraw/zinc/96/09/78/1037960978.db2.gz NUQYICVUIKGXRS-AWEZNQCLSA-N 1 2 336.451 3.572 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)cc1Cl ZINC000092972824 1037976019 /nfs/dbraw/zinc/97/60/19/1037976019.db2.gz DFDKJJBTKFFMFZ-KRWDZBQOSA-N 1 2 345.805 3.929 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)cc1Cl ZINC000092972824 1037976031 /nfs/dbraw/zinc/97/60/31/1037976031.db2.gz DFDKJJBTKFFMFZ-KRWDZBQOSA-N 1 2 345.805 3.929 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000123641920 1038049823 /nfs/dbraw/zinc/04/98/23/1038049823.db2.gz QXQVSLVOSNWFIR-UHFFFAOYSA-N 1 2 346.368 3.535 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000123641920 1038049846 /nfs/dbraw/zinc/04/98/46/1038049846.db2.gz QXQVSLVOSNWFIR-UHFFFAOYSA-N 1 2 346.368 3.535 20 0 EHADLO C[C@H](C(=O)OCc1ccc2ncccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000760986742 1038077776 /nfs/dbraw/zinc/07/77/76/1038077776.db2.gz SKKAQQGMTXQYLE-MRXNPFEDSA-N 1 2 346.430 3.725 20 0 EHADLO C[C@H](C(=O)OCc1ccc2ncccc2c1)[N@H+]1CCc2ccccc2C1 ZINC000760986742 1038077797 /nfs/dbraw/zinc/07/77/97/1038077797.db2.gz SKKAQQGMTXQYLE-MRXNPFEDSA-N 1 2 346.430 3.725 20 0 EHADLO C[N@@H+]1CC[C@H](Nc2nnc(C(F)F)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000278823565 1038128051 /nfs/dbraw/zinc/12/80/51/1038128051.db2.gz UEOGHQKHCWANHM-QWRGUYRKSA-N 1 2 346.353 3.611 20 0 EHADLO C[N@H+]1CC[C@H](Nc2nnc(C(F)F)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000278823565 1038128058 /nfs/dbraw/zinc/12/80/58/1038128058.db2.gz UEOGHQKHCWANHM-QWRGUYRKSA-N 1 2 346.353 3.611 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000124174831 1038147986 /nfs/dbraw/zinc/14/79/86/1038147986.db2.gz HNNMUZQOFZTPSW-UHFFFAOYSA-N 1 2 325.437 3.716 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000124174831 1038147991 /nfs/dbraw/zinc/14/79/91/1038147991.db2.gz HNNMUZQOFZTPSW-UHFFFAOYSA-N 1 2 325.437 3.716 20 0 EHADLO CO[C@](C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000106627319 1038160799 /nfs/dbraw/zinc/16/07/99/1038160799.db2.gz MGYCVNNYDODLPV-IBGZPJMESA-N 1 2 339.370 3.512 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000106808610 1038218345 /nfs/dbraw/zinc/21/83/45/1038218345.db2.gz ZJQOKLHJMGDIKU-MRXNPFEDSA-N 1 2 331.419 3.691 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3ccccc3)cn2c1 ZINC000042470967 1038223662 /nfs/dbraw/zinc/22/36/62/1038223662.db2.gz PCJBIBPTJMRIAU-UHFFFAOYSA-N 1 2 325.437 3.539 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc[nH+]1 ZINC000106902645 1038236886 /nfs/dbraw/zinc/23/68/86/1038236886.db2.gz HACOAOUJXZGHAH-UHFFFAOYSA-N 1 2 347.374 3.534 20 0 EHADLO O=C(N[C@H]1CCCc2sccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274322648 1038241233 /nfs/dbraw/zinc/24/12/33/1038241233.db2.gz KSXWRRAUBJKJDZ-KRWDZBQOSA-N 1 2 337.448 3.800 20 0 EHADLO CC1=CC[C@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000667112296 1038405474 /nfs/dbraw/zinc/40/54/74/1038405474.db2.gz ALYNNXWZHYGEBJ-FQEVSTJZSA-N 1 2 328.456 3.594 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOc3ccccc3[C@@H]2C)c(C)[nH+]1 ZINC000667117694 1038438508 /nfs/dbraw/zinc/43/85/08/1038438508.db2.gz AJLGWRBTKFAKID-HNNXBMFYSA-N 1 2 325.412 3.994 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)s1 ZINC000538725553 1038505611 /nfs/dbraw/zinc/50/56/11/1038505611.db2.gz DUBYARJHDBZGNS-GDBMZVCRSA-N 1 2 336.501 3.649 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)s1 ZINC000538725553 1038505615 /nfs/dbraw/zinc/50/56/15/1038505615.db2.gz DUBYARJHDBZGNS-GDBMZVCRSA-N 1 2 336.501 3.649 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cc(C)nc(C)n3)[C@@H](C)CO2)c1 ZINC000659957440 1038507118 /nfs/dbraw/zinc/50/71/18/1038507118.db2.gz SCWQGUMMGPVKHU-OXJNMPFZSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cc(C)nc(C)n3)[C@@H](C)CO2)c1 ZINC000659957440 1038507123 /nfs/dbraw/zinc/50/71/23/1038507123.db2.gz SCWQGUMMGPVKHU-OXJNMPFZSA-N 1 2 325.456 3.672 20 0 EHADLO Brc1csc(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000538749701 1038513713 /nfs/dbraw/zinc/51/37/13/1038513713.db2.gz BAPOULNBJVBAAV-UHFFFAOYSA-N 1 2 343.315 3.894 20 0 EHADLO COCc1cccc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000538783769 1038539636 /nfs/dbraw/zinc/53/96/36/1038539636.db2.gz IRCMMGMREYHORM-KRWDZBQOSA-N 1 2 342.458 3.851 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000728746008 1038570293 /nfs/dbraw/zinc/57/02/93/1038570293.db2.gz NVFSPJIDSIXZND-CQSZACIVSA-N 1 2 346.862 3.514 20 0 EHADLO Cn1c(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)nc2ccccc21 ZINC000378399138 1038583391 /nfs/dbraw/zinc/58/33/91/1038583391.db2.gz UDLNEPFPDQOROG-UHFFFAOYSA-N 1 2 338.842 3.911 20 0 EHADLO Cn1c(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)nc2ccccc21 ZINC000378399138 1038583400 /nfs/dbraw/zinc/58/34/00/1038583400.db2.gz UDLNEPFPDQOROG-UHFFFAOYSA-N 1 2 338.842 3.911 20 0 EHADLO CCCN(CCC)C(=O)c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000416429801 1038655290 /nfs/dbraw/zinc/65/52/90/1038655290.db2.gz XBTBZBPAYFCFAR-UHFFFAOYSA-N 1 2 328.460 3.777 20 0 EHADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000930635623 1038658593 /nfs/dbraw/zinc/65/85/93/1038658593.db2.gz CBBLBGSRRVWNSZ-TZMCWYRMSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000930635623 1038658599 /nfs/dbraw/zinc/65/85/99/1038658599.db2.gz CBBLBGSRRVWNSZ-TZMCWYRMSA-N 1 2 332.245 3.790 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)s1 ZINC000363854702 1038691102 /nfs/dbraw/zinc/69/11/02/1038691102.db2.gz VPWXZRJLIWZELA-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)s1 ZINC000363854702 1038691105 /nfs/dbraw/zinc/69/11/05/1038691105.db2.gz VPWXZRJLIWZELA-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1ncc(Br)cc1Cl ZINC000660018216 1038715718 /nfs/dbraw/zinc/71/57/18/1038715718.db2.gz QZCUUFPYFXLFPI-UHFFFAOYSA-N 1 2 335.673 3.744 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1ncc(Br)cc1Cl ZINC000660018216 1038715730 /nfs/dbraw/zinc/71/57/30/1038715730.db2.gz QZCUUFPYFXLFPI-UHFFFAOYSA-N 1 2 335.673 3.744 20 0 EHADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000183873262 1038750172 /nfs/dbraw/zinc/75/01/72/1038750172.db2.gz UIXIELGEPTYHSC-CHWSQXEVSA-N 1 2 331.416 3.508 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000539263377 1038756470 /nfs/dbraw/zinc/75/64/70/1038756470.db2.gz QDJUEQXBGPCMEB-JTQLQIEISA-N 1 2 341.333 3.739 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)sc1C ZINC000552035794 1038767365 /nfs/dbraw/zinc/76/73/65/1038767365.db2.gz IKQJMWWNHHGJOL-SHTZXODSSA-N 1 2 329.469 3.913 20 0 EHADLO COc1cc(Cl)cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000431888153 1038771676 /nfs/dbraw/zinc/77/16/76/1038771676.db2.gz AZLAEUYAEKLRDU-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)C(C)(C)CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000905298029 1038781292 /nfs/dbraw/zinc/78/12/92/1038781292.db2.gz KPEFTCNHYQLDKQ-UHFFFAOYSA-N 1 2 334.485 3.528 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cnc(-c3ccccc3)cn2)c1C ZINC000488060964 1038818191 /nfs/dbraw/zinc/81/81/91/1038818191.db2.gz YCAMLMWSRXNCBZ-UHFFFAOYSA-N 1 2 334.423 3.800 20 0 EHADLO CCCCOc1cc(OCCC)ccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000479875430 1038825591 /nfs/dbraw/zinc/82/55/91/1038825591.db2.gz MFRJOIVEKIPMBI-UHFFFAOYSA-N 1 2 345.443 3.616 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000184323922 1038827435 /nfs/dbraw/zinc/82/74/35/1038827435.db2.gz PZYYGCGICNMZQF-MAUKXSAKSA-N 1 2 342.389 3.685 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000184323922 1038827458 /nfs/dbraw/zinc/82/74/58/1038827458.db2.gz PZYYGCGICNMZQF-MAUKXSAKSA-N 1 2 342.389 3.685 20 0 EHADLO CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1(CC)CC ZINC000488090696 1038841008 /nfs/dbraw/zinc/84/10/08/1038841008.db2.gz QZJXHJHQTYMHOP-QZTJIDSGSA-N 1 2 341.455 3.586 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000539377920 1038868122 /nfs/dbraw/zinc/86/81/22/1038868122.db2.gz ZEQKSQNAQPNKAR-CHWSQXEVSA-N 1 2 326.843 3.921 20 0 EHADLO C[C@]1([NH2+]Cc2nnc(C(F)(F)F)s2)CCCc2ccccc21 ZINC000660068346 1038904747 /nfs/dbraw/zinc/90/47/47/1038904747.db2.gz DZDDVLMVVMKVHQ-AWEZNQCLSA-N 1 2 327.375 3.898 20 0 EHADLO CCCCCN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H](C)CCC ZINC000418764919 1038940717 /nfs/dbraw/zinc/94/07/17/1038940717.db2.gz OFYWSODFEVUGRA-GJZGRUSLSA-N 1 2 333.467 3.622 20 0 EHADLO CCCCCN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@H](C)CCC ZINC000418764918 1038941077 /nfs/dbraw/zinc/94/10/77/1038941077.db2.gz OFYWSODFEVUGRA-CABCVRRESA-N 1 2 333.467 3.622 20 0 EHADLO CCCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000485364661 1038956819 /nfs/dbraw/zinc/95/68/19/1038956819.db2.gz YYENBQXTYZEHCS-UHFFFAOYSA-N 1 2 348.878 3.939 20 0 EHADLO CC[C@@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001125890301 1038970143 /nfs/dbraw/zinc/97/01/43/1038970143.db2.gz MCSXAOQBUWKONG-KRWDZBQOSA-N 1 2 332.488 3.920 20 0 EHADLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000479978276 1038988099 /nfs/dbraw/zinc/98/80/99/1038988099.db2.gz JTUACNOGVXZATB-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000479978276 1038988114 /nfs/dbraw/zinc/98/81/14/1038988114.db2.gz JTUACNOGVXZATB-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000818039108 1039058211 /nfs/dbraw/zinc/05/82/11/1039058211.db2.gz SFOKLXPGUAPDLN-MRVPVSSYSA-N 1 2 334.153 3.756 20 0 EHADLO C[C@@H]1CC(C)(C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000416834500 1039101778 /nfs/dbraw/zinc/10/17/78/1039101778.db2.gz YDWRIAOXSQGEHN-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C2CC2)no1 ZINC000660100741 1039104009 /nfs/dbraw/zinc/10/40/09/1039104009.db2.gz GNOJDRCHQJBVIN-UHFFFAOYSA-N 1 2 345.418 3.930 20 0 EHADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C2CC2)no1 ZINC000660100741 1039104023 /nfs/dbraw/zinc/10/40/23/1039104023.db2.gz GNOJDRCHQJBVIN-UHFFFAOYSA-N 1 2 345.418 3.930 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000552243992 1039106638 /nfs/dbraw/zinc/10/66/38/1039106638.db2.gz SVUIMTDVDDJSIQ-RKCSUWQLSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000552243992 1039106648 /nfs/dbraw/zinc/10/66/48/1039106648.db2.gz SVUIMTDVDDJSIQ-RKCSUWQLSA-N 1 2 325.399 3.592 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667275244 1039119324 /nfs/dbraw/zinc/11/93/24/1039119324.db2.gz FDTZHZWUAZIASF-GOSISDBHSA-N 1 2 338.455 3.685 20 0 EHADLO CCc1onc(C)c1C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000927134744 1039197083 /nfs/dbraw/zinc/19/70/83/1039197083.db2.gz MXNOAYDNQGRYQZ-CQSZACIVSA-N 1 2 326.799 3.815 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000339201156 1039212725 /nfs/dbraw/zinc/21/27/25/1039212725.db2.gz PKHXRHSVDIOSOK-HIFRSBDPSA-N 1 2 331.847 3.648 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000760626496 1039221468 /nfs/dbraw/zinc/22/14/68/1039221468.db2.gz VCVYMIKXSZKNMT-UHFFFAOYSA-N 1 2 348.393 3.748 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000760626496 1039221483 /nfs/dbraw/zinc/22/14/83/1039221483.db2.gz VCVYMIKXSZKNMT-UHFFFAOYSA-N 1 2 348.393 3.748 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1)C1CCCCC1 ZINC000668514338 1039226294 /nfs/dbraw/zinc/22/62/94/1039226294.db2.gz DJMUTYVKPBHPCS-SFHVURJKSA-N 1 2 337.467 3.807 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1Cl ZINC000906019213 1039236422 /nfs/dbraw/zinc/23/64/22/1039236422.db2.gz SKTOHFDENXQTSD-HNNXBMFYSA-N 1 2 346.862 3.645 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1Cl ZINC000906019213 1039236430 /nfs/dbraw/zinc/23/64/30/1039236430.db2.gz SKTOHFDENXQTSD-HNNXBMFYSA-N 1 2 346.862 3.645 20 0 EHADLO CC[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Oc1ccccc1C ZINC000488662661 1039320987 /nfs/dbraw/zinc/32/09/87/1039320987.db2.gz PGMLNWBLUCJLON-IBGZPJMESA-N 1 2 349.434 3.768 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1nnc2n1CCC2 ZINC000237430756 1039364852 /nfs/dbraw/zinc/36/48/52/1039364852.db2.gz BTLIJCFHNOGALK-GFCCVEGCSA-N 1 2 342.830 3.989 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1ccccc1 ZINC000554465975 1039365275 /nfs/dbraw/zinc/36/52/75/1039365275.db2.gz MGEHCLDTLASYCU-BEFAXECRSA-N 1 2 347.422 3.551 20 0 EHADLO COc1c(C)cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1C ZINC000186430444 1039366341 /nfs/dbraw/zinc/36/63/41/1039366341.db2.gz QYCGLJFVRZZKBZ-UHFFFAOYSA-N 1 2 332.444 3.905 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667648297 1039376069 /nfs/dbraw/zinc/37/60/69/1039376069.db2.gz QIJULZVNNUEPMR-HXUWFJFHSA-N 1 2 325.456 3.570 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667648297 1039376080 /nfs/dbraw/zinc/37/60/80/1039376080.db2.gz QIJULZVNNUEPMR-HXUWFJFHSA-N 1 2 325.456 3.570 20 0 EHADLO Cn1ccc([C@@H]([NH2+]Cc2ccc3ncccc3c2)c2ccc(F)cc2)n1 ZINC000552604531 1039390357 /nfs/dbraw/zinc/39/03/57/1039390357.db2.gz LYWZUUSXVKISBD-NRFANRHFSA-N 1 2 346.409 3.987 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCCCC[C@@H]3C(F)(F)F)ccn12 ZINC000906194892 1039399912 /nfs/dbraw/zinc/39/99/12/1039399912.db2.gz ZXBBSVJGXZVNSW-CYBMUJFWSA-N 1 2 325.334 3.590 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000480305448 1039411050 /nfs/dbraw/zinc/41/10/50/1039411050.db2.gz DDXKTNYBLVRHNS-QWHCGFSZSA-N 1 2 328.382 3.634 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000480305448 1039411058 /nfs/dbraw/zinc/41/10/58/1039411058.db2.gz DDXKTNYBLVRHNS-QWHCGFSZSA-N 1 2 328.382 3.634 20 0 EHADLO c1n[nH]c2c1C[N@H+](Cc1ccc(-n3cnc4ccccc43)cc1)CCC2 ZINC000911596489 1039425669 /nfs/dbraw/zinc/42/56/69/1039425669.db2.gz TYHBHANQBBQWRP-UHFFFAOYSA-N 1 2 343.434 3.697 20 0 EHADLO c1n[nH]c2c1C[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)CCC2 ZINC000911596489 1039425674 /nfs/dbraw/zinc/42/56/74/1039425674.db2.gz TYHBHANQBBQWRP-UHFFFAOYSA-N 1 2 343.434 3.697 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3csc(Br)c3)C2)no1 ZINC000364024545 1039430953 /nfs/dbraw/zinc/43/09/53/1039430953.db2.gz BMJRSNCWERYZBN-LLVKDONJSA-N 1 2 342.262 3.582 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)no1 ZINC000364024545 1039430959 /nfs/dbraw/zinc/43/09/59/1039430959.db2.gz BMJRSNCWERYZBN-LLVKDONJSA-N 1 2 342.262 3.582 20 0 EHADLO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000485711181 1039450983 /nfs/dbraw/zinc/45/09/83/1039450983.db2.gz QUFIJBYLHUMVKL-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)s2)cc1 ZINC000485729323 1039474335 /nfs/dbraw/zinc/47/43/35/1039474335.db2.gz OVYAYWMYKOAGMP-CQSZACIVSA-N 1 2 345.512 3.854 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)s2)cc1 ZINC000485729323 1039474344 /nfs/dbraw/zinc/47/43/44/1039474344.db2.gz OVYAYWMYKOAGMP-CQSZACIVSA-N 1 2 345.512 3.854 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(C)(C(C)C)CC2)n1 ZINC000186880477 1039476993 /nfs/dbraw/zinc/47/69/93/1039476993.db2.gz RRIQRZLZVBQPFO-UHFFFAOYSA-N 1 2 333.505 3.593 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(C(F)(F)F)CCCCC1 ZINC000667667954 1039483805 /nfs/dbraw/zinc/48/38/05/1039483805.db2.gz ZRMWRELMNVTDRE-UHFFFAOYSA-N 1 2 329.366 3.559 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000364059179 1039572988 /nfs/dbraw/zinc/57/29/88/1039572988.db2.gz RBSFRXOEVPQWDG-INIZCTEOSA-N 1 2 347.418 3.842 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000489058410 1039578134 /nfs/dbraw/zinc/57/81/34/1039578134.db2.gz DAHCMNHWHOMNET-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO CC(C)(C)c1nsc(N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000489060400 1039597662 /nfs/dbraw/zinc/59/76/62/1039597662.db2.gz ZIKNWZRZLISILM-YFHOEESVSA-N 1 2 342.512 3.671 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506020 1039619114 /nfs/dbraw/zinc/61/91/14/1039619114.db2.gz LOQTXNICAOLIGU-QAPCUYQASA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506020 1039619121 /nfs/dbraw/zinc/61/91/21/1039619121.db2.gz LOQTXNICAOLIGU-QAPCUYQASA-N 1 2 344.430 3.799 20 0 EHADLO Cc1cnc(CC[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c(C)c1 ZINC000584718572 1039619198 /nfs/dbraw/zinc/61/91/98/1039619198.db2.gz WWJLMTDWEZIKCE-INIZCTEOSA-N 1 2 336.439 3.566 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000480535020 1039655907 /nfs/dbraw/zinc/65/59/07/1039655907.db2.gz GLVCSDGRSALKSM-NOZJJQNGSA-N 1 2 325.733 3.929 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000480535020 1039655913 /nfs/dbraw/zinc/65/59/13/1039655913.db2.gz GLVCSDGRSALKSM-NOZJJQNGSA-N 1 2 325.733 3.929 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC000660195718 1039693115 /nfs/dbraw/zinc/69/31/15/1039693115.db2.gz BBTVYETWBQNGHM-SSDOTTSWSA-N 1 2 344.640 3.953 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898903572 1039712466 /nfs/dbraw/zinc/71/24/66/1039712466.db2.gz CHRHEYIJACEKIY-MRXNPFEDSA-N 1 2 342.487 3.813 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(SC)o1 ZINC000893891888 1039811479 /nfs/dbraw/zinc/81/14/79/1039811479.db2.gz QSBBJJFXBHNAPO-UHFFFAOYSA-N 1 2 348.468 3.861 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(SC)o1 ZINC000893891888 1039811500 /nfs/dbraw/zinc/81/15/00/1039811500.db2.gz QSBBJJFXBHNAPO-UHFFFAOYSA-N 1 2 348.468 3.861 20 0 EHADLO Cc1cc[nH+]c(N)c1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000893961720 1039864255 /nfs/dbraw/zinc/86/42/55/1039864255.db2.gz IPQCRRRZRLIKEQ-UHFFFAOYSA-N 1 2 326.831 3.665 20 0 EHADLO CC(C)C[C@H](c1nc(-c2cccc(OC(F)F)n2)no1)n1cc[nH+]c1 ZINC000924132699 1039898695 /nfs/dbraw/zinc/89/86/95/1039898695.db2.gz LZUMXXPSGYGFRU-GFCCVEGCSA-N 1 2 349.341 3.565 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000417493482 1039902300 /nfs/dbraw/zinc/90/23/00/1039902300.db2.gz YTJFVYUQYNJNJW-SUMWQHHRSA-N 1 2 346.406 3.536 20 0 EHADLO CC[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(OC)c(OC)c1 ZINC000553265653 1039922524 /nfs/dbraw/zinc/92/25/24/1039922524.db2.gz VXYDDIRSDWMCRW-CQSZACIVSA-N 1 2 325.412 3.576 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000554920656 1039930191 /nfs/dbraw/zinc/93/01/91/1039930191.db2.gz ZZRWDKHWBABDPA-SJLPKXTDSA-N 1 2 340.471 3.983 20 0 EHADLO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230977 1039971147 /nfs/dbraw/zinc/97/11/47/1039971147.db2.gz JALLDWAUCCUDDQ-KSSFIOAISA-N 1 2 330.403 3.652 20 0 EHADLO O=C(Nc1cccc(Br)c1F)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000912538623 1039976153 /nfs/dbraw/zinc/97/61/53/1039976153.db2.gz CLOBZBRIGUDANE-CYBMUJFWSA-N 1 2 341.224 3.544 20 0 EHADLO O=C(Nc1cccc(Br)c1F)[C@H]1CC[N@H+]1C1CCCC1 ZINC000912538623 1039976159 /nfs/dbraw/zinc/97/61/59/1039976159.db2.gz CLOBZBRIGUDANE-CYBMUJFWSA-N 1 2 341.224 3.544 20 0 EHADLO Cc1cc(C)c(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000907313655 1040003164 /nfs/dbraw/zinc/00/31/64/1040003164.db2.gz JLZDZGIUZUPYFY-UHFFFAOYSA-N 1 2 345.512 3.823 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438659 1040022727 /nfs/dbraw/zinc/02/27/27/1040022727.db2.gz MQCYILKDJUPFPA-HOTGVXAUSA-N 1 2 329.444 3.783 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438659 1040022742 /nfs/dbraw/zinc/02/27/42/1040022742.db2.gz MQCYILKDJUPFPA-HOTGVXAUSA-N 1 2 329.444 3.783 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)n1 ZINC000907408059 1040041525 /nfs/dbraw/zinc/04/15/25/1040041525.db2.gz AIZWPEBRANXTEU-INIZCTEOSA-N 1 2 343.496 3.587 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000668603668 1040059888 /nfs/dbraw/zinc/05/98/88/1040059888.db2.gz IPPAJPIZSBGAHJ-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000668603668 1040059901 /nfs/dbraw/zinc/05/99/01/1040059901.db2.gz IPPAJPIZSBGAHJ-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO CC(C)C1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000553491635 1040106879 /nfs/dbraw/zinc/10/68/79/1040106879.db2.gz NXVJSYXQWAXVHN-GOSISDBHSA-N 1 2 325.456 3.826 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@@H](C)c2ccccc2)c1C ZINC000067080411 1040123802 /nfs/dbraw/zinc/12/38/02/1040123802.db2.gz XNJPISNTAOWCNN-OAHLLOKOSA-N 1 2 341.455 3.652 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC000912697954 1040124072 /nfs/dbraw/zinc/12/40/72/1040124072.db2.gz CYEJUSVWYOBBOG-SNVBAGLBSA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC000912697954 1040124082 /nfs/dbraw/zinc/12/40/82/1040124082.db2.gz CYEJUSVWYOBBOG-SNVBAGLBSA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)C[C@H](NCc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000544176329 1040139944 /nfs/dbraw/zinc/13/99/44/1040139944.db2.gz VSIVGZRPDVMNRR-INIZCTEOSA-N 1 2 349.500 3.780 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000667470768 1040151961 /nfs/dbraw/zinc/15/19/61/1040151961.db2.gz KQJLTGPOTWKRBR-HNNXBMFYSA-N 1 2 338.377 3.951 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000667470768 1040151970 /nfs/dbraw/zinc/15/19/70/1040151970.db2.gz KQJLTGPOTWKRBR-HNNXBMFYSA-N 1 2 338.377 3.951 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC12CCC2 ZINC000907813851 1040180894 /nfs/dbraw/zinc/18/08/94/1040180894.db2.gz AQFURSTYCZFXIV-HUUCEWRRSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC12CCC2 ZINC000907813851 1040180900 /nfs/dbraw/zinc/18/09/00/1040180900.db2.gz AQFURSTYCZFXIV-HUUCEWRRSA-N 1 2 327.472 3.621 20 0 EHADLO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432922547 1040185480 /nfs/dbraw/zinc/18/54/80/1040185480.db2.gz AGHPWGMPPPGPPC-SNVBAGLBSA-N 1 2 347.261 3.869 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccco1 ZINC000907816705 1040185537 /nfs/dbraw/zinc/18/55/37/1040185537.db2.gz XFURFNLGVSJALC-HIFRSBDPSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccco1 ZINC000907816705 1040185546 /nfs/dbraw/zinc/18/55/46/1040185546.db2.gz XFURFNLGVSJALC-HIFRSBDPSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000119652204 1040195159 /nfs/dbraw/zinc/19/51/59/1040195159.db2.gz LEVDDTILGBRLLI-NEPJUHHUSA-N 1 2 339.407 3.780 20 0 EHADLO CC(C)N(CC1CC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893318766 1040216565 /nfs/dbraw/zinc/21/65/65/1040216565.db2.gz OVXGXVONYWZHST-SFHVURJKSA-N 1 2 340.471 3.534 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3cn(C4CCC4)nn3)ccc2c1 ZINC000667486186 1040217711 /nfs/dbraw/zinc/21/77/11/1040217711.db2.gz OTWXZTZSOAGNAB-UHFFFAOYSA-N 1 2 336.439 3.797 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3cn(C4CCC4)nn3)ccc2c1 ZINC000667486186 1040217730 /nfs/dbraw/zinc/21/77/30/1040217730.db2.gz OTWXZTZSOAGNAB-UHFFFAOYSA-N 1 2 336.439 3.797 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCC3CCOCC3)CCO2)cc1Cl ZINC000432937283 1040218646 /nfs/dbraw/zinc/21/86/46/1040218646.db2.gz KBROPPLKAPOJCP-KRWDZBQOSA-N 1 2 327.827 3.669 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCC3CCOCC3)CCO2)cc1Cl ZINC000432937283 1040218656 /nfs/dbraw/zinc/21/86/56/1040218656.db2.gz KBROPPLKAPOJCP-KRWDZBQOSA-N 1 2 327.827 3.669 20 0 EHADLO CCOC(=O)c1csc(C[N@H+](C)CCCCc2ccccc2)n1 ZINC000432938178 1040227885 /nfs/dbraw/zinc/22/78/85/1040227885.db2.gz KCOYDSREQMJPRE-UHFFFAOYSA-N 1 2 332.469 3.775 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+](C)CCCCc2ccccc2)n1 ZINC000432938178 1040227906 /nfs/dbraw/zinc/22/79/06/1040227906.db2.gz KCOYDSREQMJPRE-UHFFFAOYSA-N 1 2 332.469 3.775 20 0 EHADLO CCn1c[nH+]cc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000417769302 1040228225 /nfs/dbraw/zinc/22/82/25/1040228225.db2.gz SIYDQMXNQQBOHK-INIZCTEOSA-N 1 2 340.254 3.783 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667488045 1040235557 /nfs/dbraw/zinc/23/55/57/1040235557.db2.gz QHFRDYIITJDKPI-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155326990 1040269417 /nfs/dbraw/zinc/26/94/17/1040269417.db2.gz IGPNOLJDGSSSMB-MRXNPFEDSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000155326990 1040269433 /nfs/dbraw/zinc/26/94/33/1040269433.db2.gz IGPNOLJDGSSSMB-MRXNPFEDSA-N 1 2 331.485 3.842 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000908130284 1040305504 /nfs/dbraw/zinc/30/55/04/1040305504.db2.gz BKNIUZSSEPBCBZ-DOTOQJQBSA-N 1 2 339.439 3.502 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000481073463 1040336640 /nfs/dbraw/zinc/33/66/40/1040336640.db2.gz PHKCGEGRUYNHNO-HOTGVXAUSA-N 1 2 346.519 3.666 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264893 1040444378 /nfs/dbraw/zinc/44/43/78/1040444378.db2.gz VNPBVKZWDXWCBE-HZPDHXFCSA-N 1 2 339.430 3.588 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264893 1040444397 /nfs/dbraw/zinc/44/43/97/1040444397.db2.gz VNPBVKZWDXWCBE-HZPDHXFCSA-N 1 2 339.430 3.588 20 0 EHADLO CN(C)c1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)[nH+]c1 ZINC001168375772 1040445417 /nfs/dbraw/zinc/44/54/17/1040445417.db2.gz COUBWPZQFVWLKI-UHFFFAOYSA-N 1 2 337.345 3.504 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000479619624 1040451774 /nfs/dbraw/zinc/45/17/74/1040451774.db2.gz JCBHIZYQXBUCBV-JOCQHMNTSA-N 1 2 335.398 3.708 20 0 EHADLO O=C(Cc1cc2c(ccc3ccccc23)o1)NCCNc1cccc[nH+]1 ZINC000512680150 1040504082 /nfs/dbraw/zinc/50/40/82/1040504082.db2.gz IOYILKVQDZVUAB-UHFFFAOYSA-N 1 2 345.402 3.752 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)cc1 ZINC000490397786 1040529572 /nfs/dbraw/zinc/52/95/72/1040529572.db2.gz KQQNBDWGXOAIOO-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[S@](=O)CC3)o2)cc1 ZINC000433042352 1040532037 /nfs/dbraw/zinc/53/20/37/1040532037.db2.gz GBAKFLQWPZGBKR-NPMXOYFQSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[S@](=O)CC3)o2)cc1 ZINC000433042352 1040532057 /nfs/dbraw/zinc/53/20/57/1040532057.db2.gz GBAKFLQWPZGBKR-NPMXOYFQSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[S@@](=O)CC3)o2)cc1 ZINC000433042353 1040533786 /nfs/dbraw/zinc/53/37/86/1040533786.db2.gz GBAKFLQWPZGBKR-WNSKOXEYSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[S@@](=O)CC3)o2)cc1 ZINC000433042353 1040533800 /nfs/dbraw/zinc/53/38/00/1040533800.db2.gz GBAKFLQWPZGBKR-WNSKOXEYSA-N 1 2 331.481 3.852 20 0 EHADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000925647378 1040534164 /nfs/dbraw/zinc/53/41/64/1040534164.db2.gz YJDZWQVYJDIBLQ-KBPBESRZSA-N 1 2 340.345 3.702 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000667853400 1040558488 /nfs/dbraw/zinc/55/84/88/1040558488.db2.gz AIEAWJPSDLBEPU-IAGOWNOFSA-N 1 2 337.448 3.819 20 0 EHADLO O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc2[nH+]ccn21 ZINC000479801407 1040629918 /nfs/dbraw/zinc/62/99/18/1040629918.db2.gz BKMSURCVAPYBGN-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000667861083 1040633037 /nfs/dbraw/zinc/63/30/37/1040633037.db2.gz GMOVCZBTLYEOIT-YJBOKZPZSA-N 1 2 335.407 3.784 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCOc4ccc(O)cc4C3)cc2c1 ZINC000668724218 1040635378 /nfs/dbraw/zinc/63/53/78/1040635378.db2.gz MWLGQDCBZONGRI-UHFFFAOYSA-N 1 2 325.364 3.542 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCOc4ccc(O)cc4C3)cc2c1 ZINC000668724218 1040635381 /nfs/dbraw/zinc/63/53/81/1040635381.db2.gz MWLGQDCBZONGRI-UHFFFAOYSA-N 1 2 325.364 3.542 20 0 EHADLO COc1cc(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1OC(C)C ZINC000668724768 1040642158 /nfs/dbraw/zinc/64/21/58/1040642158.db2.gz GWRPHCXSPWESGO-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO COc1cc(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1OC(C)C ZINC000668724768 1040642174 /nfs/dbraw/zinc/64/21/74/1040642174.db2.gz GWRPHCXSPWESGO-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO Cc1ccc(CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000247864817 1040655425 /nfs/dbraw/zinc/65/54/25/1040655425.db2.gz IBWVVGOKUIORFC-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c2cc1C ZINC000029533811 1040679598 /nfs/dbraw/zinc/67/95/98/1040679598.db2.gz SLZQDPKXDQIKLE-OAQYLSRUSA-N 1 2 349.430 3.983 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c2cc1C ZINC000029533811 1040679607 /nfs/dbraw/zinc/67/96/07/1040679607.db2.gz SLZQDPKXDQIKLE-OAQYLSRUSA-N 1 2 349.430 3.983 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC000481326726 1040691016 /nfs/dbraw/zinc/69/10/16/1040691016.db2.gz ZDMFERFKTAUTBB-LJQANCHMSA-N 1 2 336.439 3.893 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]C2(c3ccccc3Cl)CC2)n1 ZINC000600168271 1040756789 /nfs/dbraw/zinc/75/67/89/1040756789.db2.gz VOWJNJNZPKLEPI-UHFFFAOYSA-N 1 2 330.815 3.691 20 0 EHADLO CCOC(=O)Nc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000490809050 1040757001 /nfs/dbraw/zinc/75/70/01/1040757001.db2.gz QUXZMJNEYOTVMI-UHFFFAOYSA-N 1 2 327.384 3.828 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000042142544 1040805587 /nfs/dbraw/zinc/80/55/87/1040805587.db2.gz AASKXFRGSLGXIS-UHFFFAOYSA-N 1 2 345.512 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000042142544 1040805606 /nfs/dbraw/zinc/80/56/06/1040805606.db2.gz AASKXFRGSLGXIS-UHFFFAOYSA-N 1 2 345.512 3.676 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000555553872 1040810165 /nfs/dbraw/zinc/81/01/65/1040810165.db2.gz XNCQHRVBQGZEBX-UHFFFAOYSA-N 1 2 329.293 3.865 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc2ccccc21 ZINC000899654767 1040921569 /nfs/dbraw/zinc/92/15/69/1040921569.db2.gz IQCBBPAUUJIRPE-UZLBHIALSA-N 1 2 333.435 3.866 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253551873 1040934081 /nfs/dbraw/zinc/93/40/81/1040934081.db2.gz KJXVFEIHCKKZAZ-HUUCEWRRSA-N 1 2 329.444 3.533 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253551873 1040934093 /nfs/dbraw/zinc/93/40/93/1040934093.db2.gz KJXVFEIHCKKZAZ-HUUCEWRRSA-N 1 2 329.444 3.533 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](c4ccccc4C)C3)[nH+]c12 ZINC000586759446 1041001362 /nfs/dbraw/zinc/00/13/62/1041001362.db2.gz BRGHASHANGFYRA-KRWDZBQOSA-N 1 2 333.435 3.510 20 0 EHADLO CCCCOc1c(Cl)cc(C(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000500310618 1041028572 /nfs/dbraw/zinc/02/85/72/1041028572.db2.gz CDOKZHYCUHZTDC-UHFFFAOYSA-N 1 2 348.830 3.905 20 0 EHADLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)sc2nccc(C)c12 ZINC000586817896 1041041056 /nfs/dbraw/zinc/04/10/56/1041041056.db2.gz PKJZLRGHQVLXMT-UHFFFAOYSA-N 1 2 340.452 3.587 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000343866116 1041064600 /nfs/dbraw/zinc/06/46/00/1041064600.db2.gz SPVXKZJAODBGKZ-JQWIXIFHSA-N 1 2 330.375 3.936 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147864 1041093891 /nfs/dbraw/zinc/09/38/91/1041093891.db2.gz ONSBHULYXWJWEB-FXAWDEMLSA-N 1 2 348.494 3.574 20 0 EHADLO Cc1nc2cc(NC(=O)[C@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)ccc2o1 ZINC000364389145 1041095883 /nfs/dbraw/zinc/09/58/83/1041095883.db2.gz UFBRADVISDPOSP-LBPRGKRZSA-N 1 2 338.411 3.726 20 0 EHADLO Cc1nc2cc(NC(=O)[C@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)ccc2o1 ZINC000364389145 1041095902 /nfs/dbraw/zinc/09/59/02/1041095902.db2.gz UFBRADVISDPOSP-LBPRGKRZSA-N 1 2 338.411 3.726 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000055033833 1041102672 /nfs/dbraw/zinc/10/26/72/1041102672.db2.gz QBPSYYJOJKZQIW-INIZCTEOSA-N 1 2 346.475 3.632 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000055033833 1041102684 /nfs/dbraw/zinc/10/26/84/1041102684.db2.gz QBPSYYJOJKZQIW-INIZCTEOSA-N 1 2 346.475 3.632 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000899783508 1041117358 /nfs/dbraw/zinc/11/73/58/1041117358.db2.gz YMRUPMSVKGEVHJ-QZTJIDSGSA-N 1 2 343.471 3.890 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364417458 1041249292 /nfs/dbraw/zinc/24/92/92/1041249292.db2.gz KVHHUXKUOCLDEK-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO Cn1c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nnc1C1CCC1 ZINC000433315889 1041288537 /nfs/dbraw/zinc/28/85/37/1041288537.db2.gz CNXCQNGERCUWTP-OAHLLOKOSA-N 1 2 330.863 3.726 20 0 EHADLO Cn1c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nnc1C1CCC1 ZINC000433315889 1041288543 /nfs/dbraw/zinc/28/85/43/1041288543.db2.gz CNXCQNGERCUWTP-OAHLLOKOSA-N 1 2 330.863 3.726 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H]1CCCC[C@H]1C ZINC001143553993 1041325428 /nfs/dbraw/zinc/32/54/28/1041325428.db2.gz UROPPYWUMBXIKX-UXPWSPDFSA-N 1 2 344.499 3.697 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H]1CCCC[C@H]1C ZINC001143553993 1041325437 /nfs/dbraw/zinc/32/54/37/1041325437.db2.gz UROPPYWUMBXIKX-UXPWSPDFSA-N 1 2 344.499 3.697 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](C)[C@@H](C)[C@@H]3C)s2)cc1 ZINC000419337707 1041412604 /nfs/dbraw/zinc/41/26/04/1041412604.db2.gz BNBFSGFJJQIBCP-MJBXVCDLSA-N 1 2 344.484 3.575 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](C)[C@@H](C)[C@@H]3C)s2)cc1 ZINC000419337707 1041412607 /nfs/dbraw/zinc/41/26/07/1041412607.db2.gz BNBFSGFJJQIBCP-MJBXVCDLSA-N 1 2 344.484 3.575 20 0 EHADLO CCN(CC1CCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000432077684 1041560162 /nfs/dbraw/zinc/56/01/62/1041560162.db2.gz GXTSHOAGHSQYFC-UHFFFAOYSA-N 1 2 342.443 3.616 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)[nH]1 ZINC000660495950 1041574908 /nfs/dbraw/zinc/57/49/08/1041574908.db2.gz VRPNVMYZEAFJSX-CQSZACIVSA-N 1 2 347.894 3.602 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)[nH]1 ZINC000660495950 1041574913 /nfs/dbraw/zinc/57/49/13/1041574913.db2.gz VRPNVMYZEAFJSX-CQSZACIVSA-N 1 2 347.894 3.602 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CCc4ncsc4C3)c2c1 ZINC000893383260 1041577700 /nfs/dbraw/zinc/57/77/00/1041577700.db2.gz SUGWRCCMPPFQDP-UHFFFAOYSA-N 1 2 331.828 3.916 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1Cl ZINC000092937399 1041585132 /nfs/dbraw/zinc/58/51/32/1041585132.db2.gz LUCFHYYYAAKWMI-CYBMUJFWSA-N 1 2 347.789 3.669 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1Cl ZINC000092937399 1041585139 /nfs/dbraw/zinc/58/51/39/1041585139.db2.gz LUCFHYYYAAKWMI-CYBMUJFWSA-N 1 2 347.789 3.669 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000333095802 1041724839 /nfs/dbraw/zinc/72/48/39/1041724839.db2.gz DMNYRSSHQDDKPE-IWKCEXAMSA-N 1 2 338.455 3.600 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651617994 1041798841 /nfs/dbraw/zinc/79/88/41/1041798841.db2.gz YOFMTXATRSSIKU-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651617994 1041798850 /nfs/dbraw/zinc/79/88/50/1041798850.db2.gz YOFMTXATRSSIKU-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO Cc1csc([C@H](C)CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)n1 ZINC000302146747 1041920192 /nfs/dbraw/zinc/92/01/92/1041920192.db2.gz RLHOQRGKAWQFFQ-QWHCGFSZSA-N 1 2 331.489 3.693 20 0 EHADLO Cc1csc([C@H](C)CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)n1 ZINC000302146747 1041920199 /nfs/dbraw/zinc/92/01/99/1041920199.db2.gz RLHOQRGKAWQFFQ-QWHCGFSZSA-N 1 2 331.489 3.693 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651714086 1041952797 /nfs/dbraw/zinc/95/27/97/1041952797.db2.gz PDIDQFDQLPIVQH-LSDHHAIUSA-N 1 2 335.806 3.798 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000651742944 1041988200 /nfs/dbraw/zinc/98/82/00/1041988200.db2.gz BWQFGPZIWWKQLQ-INIZCTEOSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)c[nH+]1 ZINC000661291804 1042052729 /nfs/dbraw/zinc/05/27/29/1042052729.db2.gz KSHURKGOBICKKD-OAHLLOKOSA-N 1 2 329.419 3.576 20 0 EHADLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376623 1042089248 /nfs/dbraw/zinc/08/92/48/1042089248.db2.gz FHLNWNMAADQQKB-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO Cc1noc(CCC[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)n1 ZINC000661372906 1042090003 /nfs/dbraw/zinc/09/00/03/1042090003.db2.gz IBHSMGHUMJYQJX-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO Cc1noc(CCC[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)n1 ZINC000661372906 1042090012 /nfs/dbraw/zinc/09/00/12/1042090012.db2.gz IBHSMGHUMJYQJX-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cscn1 ZINC000661417760 1042111564 /nfs/dbraw/zinc/11/15/64/1042111564.db2.gz CTHIQBGFLDEUFA-NHYWBVRUSA-N 1 2 337.514 3.759 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cscn1)c1ccc2c(c1)CCCC2 ZINC000661419619 1042112691 /nfs/dbraw/zinc/11/26/91/1042112691.db2.gz FRAYVIDFAICBSX-ZIAGYGMSSA-N 1 2 343.496 3.550 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000047649494 1042113453 /nfs/dbraw/zinc/11/34/53/1042113453.db2.gz CSIZAWQFVSDWEG-QGZVFWFLSA-N 1 2 342.487 3.598 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000661433816 1042121869 /nfs/dbraw/zinc/12/18/69/1042121869.db2.gz HVMIABYFTUHGQS-MRXNPFEDSA-N 1 2 330.476 3.802 20 0 EHADLO CCCCn1ncc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1C(C)C ZINC000651877440 1042131603 /nfs/dbraw/zinc/13/16/03/1042131603.db2.gz MXNMKBLODFOVAT-UHFFFAOYSA-N 1 2 343.475 3.521 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](COC)c2cccc(OC)c2)cs1 ZINC000661478448 1042140079 /nfs/dbraw/zinc/14/00/79/1042140079.db2.gz MFYLNBRGARKCGT-KRWDZBQOSA-N 1 2 334.485 3.972 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc(OC)c1 ZINC000661474556 1042142762 /nfs/dbraw/zinc/14/27/62/1042142762.db2.gz XMYYPWMKIPWNAJ-MRXNPFEDSA-N 1 2 341.238 3.874 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000661487764 1042144226 /nfs/dbraw/zinc/14/42/26/1042144226.db2.gz PTYAETSGPKNALE-KBXCAEBGSA-N 1 2 339.418 3.849 20 0 EHADLO CC(C)C[C@@H]1COCC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000893494892 1042273865 /nfs/dbraw/zinc/27/38/65/1042273865.db2.gz UVEWYVBIZWUSKF-MOPGFXCFSA-N 1 2 342.439 3.539 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000025692623 1042279439 /nfs/dbraw/zinc/27/94/39/1042279439.db2.gz LLNSLBAIZKAUJF-QRWLVFNGSA-N 1 2 338.451 3.674 20 0 EHADLO CC[C@@H](OCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000652235785 1042282151 /nfs/dbraw/zinc/28/21/51/1042282151.db2.gz SJXXHPBBLBXZHE-MOPGFXCFSA-N 1 2 336.439 3.652 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc(C(F)(F)F)c1 ZINC001143517124 1042304212 /nfs/dbraw/zinc/30/42/12/1042304212.db2.gz DWFSXRMXRKHMBY-MRXNPFEDSA-N 1 2 337.345 3.841 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc(C(F)(F)F)c1 ZINC001143517124 1042304219 /nfs/dbraw/zinc/30/42/19/1042304219.db2.gz DWFSXRMXRKHMBY-MRXNPFEDSA-N 1 2 337.345 3.841 20 0 EHADLO Cc1ccc2oc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000661763368 1042311675 /nfs/dbraw/zinc/31/16/75/1042311675.db2.gz FMSXCRRDEITOGS-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ncc(Cl)n2C)cnn1-c1ccc(F)cc1 ZINC000178448384 1042316795 /nfs/dbraw/zinc/31/67/95/1042316795.db2.gz CPXZLMPBCXFTFV-LLVKDONJSA-N 1 2 347.825 3.558 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@H](C)O1 ZINC000661856350 1042369672 /nfs/dbraw/zinc/36/96/72/1042369672.db2.gz NTLLCFKLDXZCGK-OLZOCXBDSA-N 1 2 347.484 3.676 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@H](C)O1 ZINC000661856350 1042369676 /nfs/dbraw/zinc/36/96/76/1042369676.db2.gz NTLLCFKLDXZCGK-OLZOCXBDSA-N 1 2 347.484 3.676 20 0 EHADLO Cc1cc(-c2noc(C[NH+]3CCC4(CCCC4=O)CC3)n2)ccc1F ZINC000661956437 1042430572 /nfs/dbraw/zinc/43/05/72/1042430572.db2.gz HOAMSJNALNSZBU-UHFFFAOYSA-N 1 2 343.402 3.519 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000661973586 1042436170 /nfs/dbraw/zinc/43/61/70/1042436170.db2.gz NRTSLPCLVJYVLL-UWVGGRQHSA-N 1 2 332.753 3.639 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000661973586 1042436172 /nfs/dbraw/zinc/43/61/72/1042436172.db2.gz NRTSLPCLVJYVLL-UWVGGRQHSA-N 1 2 332.753 3.639 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661973911 1042439037 /nfs/dbraw/zinc/43/90/37/1042439037.db2.gz HDDMJPKNTSLZEZ-YVECIDJPSA-N 1 2 343.496 3.925 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661973911 1042439041 /nfs/dbraw/zinc/43/90/41/1042439041.db2.gz HDDMJPKNTSLZEZ-YVECIDJPSA-N 1 2 343.496 3.925 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)s1 ZINC000662050540 1042482855 /nfs/dbraw/zinc/48/28/55/1042482855.db2.gz QRFJXWWCRXUQAD-CYBMUJFWSA-N 1 2 329.469 3.767 20 0 EHADLO O[C@@H](C[N@@H+]1CC[C@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094336 1042515018 /nfs/dbraw/zinc/51/50/18/1042515018.db2.gz LVLWVXQVMLBKPK-NEPJUHHUSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@@H](C[N@H+]1CC[C@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094336 1042515021 /nfs/dbraw/zinc/51/50/21/1042515021.db2.gz LVLWVXQVMLBKPK-NEPJUHHUSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2sccc2C1 ZINC000028175812 1042516033 /nfs/dbraw/zinc/51/60/33/1042516033.db2.gz QGQWDNOQYGMXGM-CYBMUJFWSA-N 1 2 337.448 3.682 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2sccc2C1 ZINC000028175812 1042516034 /nfs/dbraw/zinc/51/60/34/1042516034.db2.gz QGQWDNOQYGMXGM-CYBMUJFWSA-N 1 2 337.448 3.682 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1C ZINC000663181320 1042529391 /nfs/dbraw/zinc/52/93/91/1042529391.db2.gz BTEUSKUSIPGKKF-KRWDZBQOSA-N 1 2 340.423 3.560 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1C ZINC000663181320 1042529398 /nfs/dbraw/zinc/52/93/98/1042529398.db2.gz BTEUSKUSIPGKKF-KRWDZBQOSA-N 1 2 340.423 3.560 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662163908 1042556490 /nfs/dbraw/zinc/55/64/90/1042556490.db2.gz UYIPNPQLJCYAMG-SFHVURJKSA-N 1 2 335.394 3.920 20 0 EHADLO C/C=C\C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000728842305 1042574217 /nfs/dbraw/zinc/57/42/17/1042574217.db2.gz LVWUFWUUJZHIEA-DJWKRKHSSA-N 1 2 331.419 3.791 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H](CC(F)(F)F)O1 ZINC000662242685 1042628798 /nfs/dbraw/zinc/62/87/98/1042628798.db2.gz PEQKTYRPEOOQIF-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H](CC(F)(F)F)O1 ZINC000662242685 1042628799 /nfs/dbraw/zinc/62/87/99/1042628799.db2.gz PEQKTYRPEOOQIF-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO Brc1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)nc1 ZINC000662330216 1042690107 /nfs/dbraw/zinc/69/01/07/1042690107.db2.gz CNILAYBLSFRKAZ-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO Brc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)nc1 ZINC000662330216 1042690111 /nfs/dbraw/zinc/69/01/11/1042690111.db2.gz CNILAYBLSFRKAZ-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+]Cc1nc3c(s1)CCC3)CCc1ccccc1-2 ZINC000663351062 1042742152 /nfs/dbraw/zinc/74/21/52/1042742152.db2.gz HWPRRLAJESQQJR-HNNXBMFYSA-N 1 2 336.464 3.595 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c(OC)c1 ZINC000165265757 1042757535 /nfs/dbraw/zinc/75/75/35/1042757535.db2.gz HXGVIOUGXNFUMB-NEPJUHHUSA-N 1 2 336.457 3.719 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)n(CC)c2=S)C1 ZINC000162929315 1042772393 /nfs/dbraw/zinc/77/23/93/1042772393.db2.gz STNBTBOXJNHLET-CYBMUJFWSA-N 1 2 334.464 3.929 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(CC)c2=S)C1 ZINC000162929315 1042772398 /nfs/dbraw/zinc/77/23/98/1042772398.db2.gz STNBTBOXJNHLET-CYBMUJFWSA-N 1 2 334.464 3.929 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000043272880 1042787403 /nfs/dbraw/zinc/78/74/03/1042787403.db2.gz OXAJBMPCKILGIC-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000043272880 1042787409 /nfs/dbraw/zinc/78/74/09/1042787409.db2.gz OXAJBMPCKILGIC-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc4ccccc4n3)C2)cc1 ZINC000311774926 1042828091 /nfs/dbraw/zinc/82/80/91/1042828091.db2.gz NTOGESSAQIPYPX-IBGZPJMESA-N 1 2 333.435 3.548 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](CNc3ccc4ccccc4n3)C2)cc1 ZINC000311774926 1042828096 /nfs/dbraw/zinc/82/80/96/1042828096.db2.gz NTOGESSAQIPYPX-IBGZPJMESA-N 1 2 333.435 3.548 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901133 1042846184 /nfs/dbraw/zinc/84/61/84/1042846184.db2.gz FAYQODBWPISPSH-GUYCJALGSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901133 1042846190 /nfs/dbraw/zinc/84/61/90/1042846190.db2.gz FAYQODBWPISPSH-GUYCJALGSA-N 1 2 338.386 3.854 20 0 EHADLO O=C(NCc1cc2ccccc2o1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000613909072 1042860313 /nfs/dbraw/zinc/86/03/13/1042860313.db2.gz APTGSDRQBCSCHL-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO COc1c(C)cnc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1C ZINC000303164188 1042913758 /nfs/dbraw/zinc/91/37/58/1042913758.db2.gz IBGYTFDPWBDNRK-UHFFFAOYSA-N 1 2 339.483 3.646 20 0 EHADLO CC(C)(C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000663478642 1042916613 /nfs/dbraw/zinc/91/66/13/1042916613.db2.gz SWPWUVXZMABIBY-LBPRGKRZSA-N 1 2 330.329 3.601 20 0 EHADLO Cc1nc2c(cnn2C)c(Nc2ccc([NH+]3CCC(C)CC3)cc2)n1 ZINC000054043926 1043016123 /nfs/dbraw/zinc/01/61/23/1043016123.db2.gz FXXDUVVHJAZIII-UHFFFAOYSA-N 1 2 336.443 3.652 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000585756430 1043025774 /nfs/dbraw/zinc/02/57/74/1043025774.db2.gz NGOOMLGFSHBVIK-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000585756430 1043025778 /nfs/dbraw/zinc/02/57/78/1043025778.db2.gz NGOOMLGFSHBVIK-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)c1nccn1C ZINC000343995627 1043075436 /nfs/dbraw/zinc/07/54/36/1043075436.db2.gz TXZJLDIDOOEKCG-NXEZZACHSA-N 1 2 326.213 3.734 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279026697 1043218136 /nfs/dbraw/zinc/21/81/36/1043218136.db2.gz WIYLCWCGJAGRGZ-GUBZILKMSA-N 1 2 337.411 3.506 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344129820 1043299621 /nfs/dbraw/zinc/29/96/21/1043299621.db2.gz VAHZMIYZFDRYOQ-LLVKDONJSA-N 1 2 345.306 3.516 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344129820 1043299629 /nfs/dbraw/zinc/29/96/29/1043299629.db2.gz VAHZMIYZFDRYOQ-LLVKDONJSA-N 1 2 345.306 3.516 20 0 EHADLO CC(C)c1ncc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)s1 ZINC000348838407 1043359376 /nfs/dbraw/zinc/35/93/76/1043359376.db2.gz PDGUJVHBOHSIMW-UHFFFAOYSA-N 1 2 337.533 3.880 20 0 EHADLO CC(C)c1ncc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)s1 ZINC000348838407 1043359384 /nfs/dbraw/zinc/35/93/84/1043359384.db2.gz PDGUJVHBOHSIMW-UHFFFAOYSA-N 1 2 337.533 3.880 20 0 EHADLO CCOc1ccccc1[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344207270 1043423930 /nfs/dbraw/zinc/42/39/30/1043423930.db2.gz IMAUZOWPQQXRMT-HNNXBMFYSA-N 1 2 335.407 3.762 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000279161125 1043466616 /nfs/dbraw/zinc/46/66/16/1043466616.db2.gz IEYWIYUELQEOKW-FQEVSTJZSA-N 1 2 345.446 3.711 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000728895846 1043495363 /nfs/dbraw/zinc/49/53/63/1043495363.db2.gz CKZJFBUQNQTFAC-KBPBESRZSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000728895846 1043495373 /nfs/dbraw/zinc/49/53/73/1043495373.db2.gz CKZJFBUQNQTFAC-KBPBESRZSA-N 1 2 325.526 3.529 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000279171184 1043498268 /nfs/dbraw/zinc/49/82/68/1043498268.db2.gz BCLASKDIMPTJJW-UHFFFAOYSA-N 1 2 344.484 3.936 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000344364732 1043738664 /nfs/dbraw/zinc/73/86/64/1043738664.db2.gz CUJYDQULIVDWJS-UHFFFAOYSA-N 1 2 325.412 3.685 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000344364732 1043738677 /nfs/dbraw/zinc/73/86/77/1043738677.db2.gz CUJYDQULIVDWJS-UHFFFAOYSA-N 1 2 325.412 3.685 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660390 1043757408 /nfs/dbraw/zinc/75/74/08/1043757408.db2.gz GEEHDLHTKMDREY-VQIMIIECSA-N 1 2 329.488 3.612 20 0 EHADLO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000162778115 1043779398 /nfs/dbraw/zinc/77/93/98/1043779398.db2.gz GMMMKJVHYWQNBS-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000344647343 1044237112 /nfs/dbraw/zinc/23/71/12/1044237112.db2.gz RPYIXSBQNPJLKG-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1OC ZINC000344686395 1044273837 /nfs/dbraw/zinc/27/38/37/1044273837.db2.gz RADWTLDOMLTLTO-UHFFFAOYSA-N 1 2 335.473 3.533 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000344739537 1044358011 /nfs/dbraw/zinc/35/80/11/1044358011.db2.gz YXTCNEPYFRJJPU-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO COc1ccc(S[C@H](C)C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000051226869 1044457035 /nfs/dbraw/zinc/45/70/35/1044457035.db2.gz YBDHXAVTZGVIFE-LLVKDONJSA-N 1 2 341.436 3.999 20 0 EHADLO Cc1nc(N(C)C[C@H](C)c2nccs2)c(Br)c(C)[nH+]1 ZINC000663792045 1044625820 /nfs/dbraw/zinc/62/58/20/1044625820.db2.gz CJKKVPLIVINFKR-QMMMGPOBSA-N 1 2 341.278 3.552 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000279814137 1044696429 /nfs/dbraw/zinc/69/64/29/1044696429.db2.gz OWBWYAZYQWLKAU-UHFFFAOYSA-N 1 2 347.462 3.912 20 0 EHADLO Cc1c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cnn1C(C)(C)C ZINC000279845453 1044738771 /nfs/dbraw/zinc/73/87/71/1044738771.db2.gz BZNMJSMPDUPOMA-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)cc1Cl ZINC000279880847 1044800624 /nfs/dbraw/zinc/80/06/24/1044800624.db2.gz KERBXJRQNBZVIU-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)cc1Cl ZINC000279880847 1044800630 /nfs/dbraw/zinc/80/06/30/1044800630.db2.gz KERBXJRQNBZVIU-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000620410762 1125566597 /nfs/dbraw/zinc/56/65/97/1125566597.db2.gz JOTXZRGKJZHMHW-CQSZACIVSA-N 1 2 335.860 3.670 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)cs1 ZINC000620410784 1125566802 /nfs/dbraw/zinc/56/68/02/1125566802.db2.gz KXQUQLIYCFTLKO-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000620499968 1125583425 /nfs/dbraw/zinc/58/34/25/1125583425.db2.gz ZSFNEMOCUZTHOO-JTQLQIEISA-N 1 2 344.217 3.987 20 0 EHADLO Cc1ccccc1C1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000153699126 1125650727 /nfs/dbraw/zinc/65/07/27/1125650727.db2.gz ACBMPGDXXFHTSZ-QGZVFWFLSA-N 1 2 339.483 3.846 20 0 EHADLO Cc1oc2nc(C[N@H+](CCC(F)(F)F)CC3CC3)nc(N)c2c1C ZINC000154182068 1125700238 /nfs/dbraw/zinc/70/02/38/1125700238.db2.gz ZAQMSASTGOLALC-UHFFFAOYSA-N 1 2 342.365 3.586 20 0 EHADLO Cc1oc2nc(C[N@@H+](CCC(F)(F)F)CC3CC3)nc(N)c2c1C ZINC000154182068 1125700247 /nfs/dbraw/zinc/70/02/47/1125700247.db2.gz ZAQMSASTGOLALC-UHFFFAOYSA-N 1 2 342.365 3.586 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1Oc1ccccc1 ZINC000155020402 1125776873 /nfs/dbraw/zinc/77/68/73/1125776873.db2.gz FWHQTNZEUWJCGN-UHFFFAOYSA-N 1 2 335.407 3.838 20 0 EHADLO CC(C)c1ccoc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000671209903 1126724620 /nfs/dbraw/zinc/72/46/20/1126724620.db2.gz DEHMEXUNBTZAEO-QGZVFWFLSA-N 1 2 337.423 3.850 20 0 EHADLO C[C@H]([NH2+]CCc1cccnc1)c1cc(Br)cc(F)c1O ZINC000184980453 1126730532 /nfs/dbraw/zinc/73/05/32/1126730532.db2.gz SFLUSDZRHZPQHW-JTQLQIEISA-N 1 2 339.208 3.582 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1ccon1)OCCO3 ZINC000172384095 1126792379 /nfs/dbraw/zinc/79/23/79/1126792379.db2.gz YWVSVBAQCHZDTJ-AWEZNQCLSA-N 1 2 340.423 3.834 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1ccon1)OCCO3 ZINC000172384095 1126792382 /nfs/dbraw/zinc/79/23/82/1126792382.db2.gz YWVSVBAQCHZDTJ-AWEZNQCLSA-N 1 2 340.423 3.834 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000172909524 1126821046 /nfs/dbraw/zinc/82/10/46/1126821046.db2.gz YRNBKDVAMRQVCW-ZDUSSCGKSA-N 1 2 346.377 3.673 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000172909524 1126821048 /nfs/dbraw/zinc/82/10/48/1126821048.db2.gz YRNBKDVAMRQVCW-ZDUSSCGKSA-N 1 2 346.377 3.673 20 0 EHADLO CCCCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185228856 1126831554 /nfs/dbraw/zinc/83/15/54/1126831554.db2.gz ZCGBLUZXOGOBDB-SNVBAGLBSA-N 1 2 334.229 3.761 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185236994 1126834530 /nfs/dbraw/zinc/83/45/30/1126834530.db2.gz KQDNWPMPPLZHCO-UHFFFAOYSA-N 1 2 326.183 3.929 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185236994 1126834533 /nfs/dbraw/zinc/83/45/33/1126834533.db2.gz KQDNWPMPPLZHCO-UHFFFAOYSA-N 1 2 326.183 3.929 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000185290927 1126859434 /nfs/dbraw/zinc/85/94/34/1126859434.db2.gz YJWUGRSVWCFMIB-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000175020148 1126865273 /nfs/dbraw/zinc/86/52/73/1126865273.db2.gz SYHQPPYKMINZEN-QWHCGFSZSA-N 1 2 334.822 3.835 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cnc2ccsc2c1 ZINC000623233657 1126900109 /nfs/dbraw/zinc/90/01/09/1126900109.db2.gz HJLNWXVRDBVFEU-SGTLLEGYSA-N 1 2 337.448 3.660 20 0 EHADLO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(C)ccc1OC ZINC000623234777 1126900318 /nfs/dbraw/zinc/90/03/18/1126900318.db2.gz WMPXSNDSUDDGOH-AZUAARDMSA-N 1 2 338.451 3.758 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)CCCn2cc[nH+]c2)c1 ZINC000623253600 1126903049 /nfs/dbraw/zinc/90/30/49/1126903049.db2.gz QPNJANNUJZPKFG-UHFFFAOYSA-N 1 2 337.423 3.794 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000623254856 1126903089 /nfs/dbraw/zinc/90/30/89/1126903089.db2.gz GNCFLVKASHDQSW-UHFFFAOYSA-N 1 2 336.395 3.834 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623253612 1126903111 /nfs/dbraw/zinc/90/31/11/1126903111.db2.gz SETZKBDXQUFSPS-CYBMUJFWSA-N 1 2 339.361 3.902 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1C ZINC000623302805 1126910972 /nfs/dbraw/zinc/91/09/72/1126910972.db2.gz PKOBHWAIJLXMMM-INIZCTEOSA-N 1 2 335.407 3.505 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623342872 1126922646 /nfs/dbraw/zinc/92/26/46/1126922646.db2.gz SGXNWRGXUCNODV-AWEZNQCLSA-N 1 2 340.402 3.574 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc3cccc(C)c3[nH]2)cc1OC1CC1 ZINC000623478616 1126968303 /nfs/dbraw/zinc/96/83/03/1126968303.db2.gz RYCDOPMXPYCONA-UHFFFAOYSA-N 1 2 337.423 3.711 20 0 EHADLO Fc1cc(Br)ccc1C[NH2+]Cc1cccnc1Cl ZINC000732231416 1130903581 /nfs/dbraw/zinc/90/35/81/1130903581.db2.gz VBTKUOIWEQBKBK-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178187534 1127012242 /nfs/dbraw/zinc/01/22/42/1127012242.db2.gz VUVANMQLPAKIPE-CQSZACIVSA-N 1 2 338.411 3.833 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(Br)c1Cl ZINC001238379639 1127023763 /nfs/dbraw/zinc/02/37/63/1127023763.db2.gz GTJZJZINJCBSQT-FOSCPWQOSA-N 1 2 345.668 3.639 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(Br)c1Cl ZINC001238379639 1127023767 /nfs/dbraw/zinc/02/37/67/1127023767.db2.gz GTJZJZINJCBSQT-FOSCPWQOSA-N 1 2 345.668 3.639 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000179263139 1127053393 /nfs/dbraw/zinc/05/33/93/1127053393.db2.gz IUSWGWKPWPTHTD-SFHVURJKSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(Cl)cc1F ZINC000180261656 1127137836 /nfs/dbraw/zinc/13/78/36/1127137836.db2.gz BJZZJOYZYFJLOU-DLBZAZTESA-N 1 2 334.822 3.992 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000351095575 1127140891 /nfs/dbraw/zinc/14/08/91/1127140891.db2.gz ULXIHKHEHSRSMI-UONOGXRCSA-N 1 2 348.328 3.684 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000180501265 1127166574 /nfs/dbraw/zinc/16/65/74/1127166574.db2.gz CZTNBCYUSURSCU-JTQLQIEISA-N 1 2 341.329 3.985 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000180501265 1127166576 /nfs/dbraw/zinc/16/65/76/1127166576.db2.gz CZTNBCYUSURSCU-JTQLQIEISA-N 1 2 341.329 3.985 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000763983187 1127178837 /nfs/dbraw/zinc/17/88/37/1127178837.db2.gz JSHKIJSNRFGBKX-IBGZPJMESA-N 1 2 341.455 3.734 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000763983187 1127178839 /nfs/dbraw/zinc/17/88/39/1127178839.db2.gz JSHKIJSNRFGBKX-IBGZPJMESA-N 1 2 341.455 3.734 20 0 EHADLO Cc1cc(C2([NH2+]Cc3nc4ccc(F)cc4s3)CCOCC2)on1 ZINC000623812492 1127184149 /nfs/dbraw/zinc/18/41/49/1127184149.db2.gz ZAMLFCGBLANGHM-UHFFFAOYSA-N 1 2 347.415 3.527 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(-n2cccn2)cc1 ZINC000180835918 1127189134 /nfs/dbraw/zinc/18/91/34/1127189134.db2.gz VOKAVXKNWGSCIN-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc(-n2cccn2)cc1 ZINC000180855373 1127189874 /nfs/dbraw/zinc/18/98/74/1127189874.db2.gz PBNYKZBIIGCPNN-CQSZACIVSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ncn(C)n1 ZINC000623965812 1127223752 /nfs/dbraw/zinc/22/37/52/1127223752.db2.gz WDLGKKTYKFFIMG-BMIGLBTASA-N 1 2 329.835 3.678 20 0 EHADLO CC(C)Oc1cc(C[NH+]2CCC(F)CC2)c(Br)cn1 ZINC001238521353 1127282912 /nfs/dbraw/zinc/28/29/12/1127282912.db2.gz YHZRZBBZXYFWDH-UHFFFAOYSA-N 1 2 331.229 3.565 20 0 EHADLO O=C1NCC[C@H]1[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181888534 1127301429 /nfs/dbraw/zinc/30/14/29/1127301429.db2.gz LFRABANWCIOIHD-HZPDHXFCSA-N 1 2 335.234 3.561 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182494925 1127332641 /nfs/dbraw/zinc/33/26/41/1127332641.db2.gz WFWAAFJEATXMKG-UHFFFAOYSA-N 1 2 345.406 3.803 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000182504083 1127334051 /nfs/dbraw/zinc/33/40/51/1127334051.db2.gz NQNBJLSZNHXFAY-UHFFFAOYSA-N 1 2 345.406 3.803 20 0 EHADLO Cc1ccc(-c2cc(C[NH2+][C@@H](C)c3nnc4ccccn43)on2)cc1 ZINC000182668651 1127342115 /nfs/dbraw/zinc/34/21/15/1127342115.db2.gz FQXSVBRMEIHTHR-AWEZNQCLSA-N 1 2 333.395 3.544 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000183117570 1127363308 /nfs/dbraw/zinc/36/33/08/1127363308.db2.gz CCGKZVOTWZPMEQ-QRQCRPRQSA-N 1 2 330.478 3.506 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2)nc1 ZINC000183386339 1127375152 /nfs/dbraw/zinc/37/51/52/1127375152.db2.gz HIFOFMZVFHBZLX-IBGZPJMESA-N 1 2 336.366 3.829 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+]Cc3ccsc3)nn2)cc1Cl ZINC000183458317 1127377580 /nfs/dbraw/zinc/37/75/80/1127377580.db2.gz YWESZTCAJVNTDF-UHFFFAOYSA-N 1 2 339.251 3.925 20 0 EHADLO c1cc(Oc2ccccc2)oc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000183667490 1127384120 /nfs/dbraw/zinc/38/41/20/1127384120.db2.gz WTLLHVIZOOUTMC-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184144594 1127395533 /nfs/dbraw/zinc/39/55/33/1127395533.db2.gz ZIJBMYXZNYQNQP-GOSISDBHSA-N 1 2 344.455 3.784 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 ZINC000184188155 1127397359 /nfs/dbraw/zinc/39/73/59/1127397359.db2.gz PDSZRQUVFIFPHA-NVXWUHKLSA-N 1 2 345.512 3.658 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184471086 1127405241 /nfs/dbraw/zinc/40/52/41/1127405241.db2.gz QNPRLNIRKNNOEG-CYBMUJFWSA-N 1 2 337.533 3.882 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(CC)C2CCCCC2)cs1 ZINC000184743696 1127412696 /nfs/dbraw/zinc/41/26/96/1127412696.db2.gz FRUJEBGYGCABMZ-KBPBESRZSA-N 1 2 337.533 3.926 20 0 EHADLO C[C@@H]([NH2+]CCOc1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185223926 1127422233 /nfs/dbraw/zinc/42/22/33/1127422233.db2.gz CTNDMMRKFWFHIB-CYBMUJFWSA-N 1 2 333.407 3.986 20 0 EHADLO Cc1cnc([C@H]([NH2+]Cc2cc(F)cc3c2OCOC3)C2CC2)s1 ZINC000185353803 1127425600 /nfs/dbraw/zinc/42/56/00/1127425600.db2.gz BPJZPSDXONMVDF-OAHLLOKOSA-N 1 2 334.416 3.698 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185611032 1127429012 /nfs/dbraw/zinc/42/90/12/1127429012.db2.gz GOPXXPWBGWYJGJ-KRWDZBQOSA-N 1 2 326.444 3.737 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185611016 1127429021 /nfs/dbraw/zinc/42/90/21/1127429021.db2.gz GOPXXPWBGWYJGJ-QGZVFWFLSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nc(-c3ccc(C(C)C)cc3)no2)cnn1C ZINC000193139792 1127433682 /nfs/dbraw/zinc/43/36/82/1127433682.db2.gz SRAWCZKFJXRNCN-CYBMUJFWSA-N 1 2 339.443 3.753 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196487 1127434500 /nfs/dbraw/zinc/43/45/00/1127434500.db2.gz DZPNKPYETHLECT-NEPJUHHUSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196487 1127434502 /nfs/dbraw/zinc/43/45/02/1127434502.db2.gz DZPNKPYETHLECT-NEPJUHHUSA-N 1 2 332.341 3.735 20 0 EHADLO CC(C)(C)c1nn(C[NH2+]C2(c3ccccc3)CCOCC2)c(=S)o1 ZINC000764122260 1127447647 /nfs/dbraw/zinc/44/76/47/1127447647.db2.gz VIFDPZZJPAMBKN-UHFFFAOYSA-N 1 2 347.484 3.756 20 0 EHADLO Fc1c[nH+]ccc1N[C@@H]1COc2c1ccc(Br)c2Cl ZINC001168535699 1127562668 /nfs/dbraw/zinc/56/26/68/1127562668.db2.gz XRZCHKMQLXEUJE-LLVKDONJSA-N 1 2 343.583 3.604 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)CC1 ZINC000765014402 1127563154 /nfs/dbraw/zinc/56/31/54/1127563154.db2.gz QNNRRFWVOFHAKX-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)CC1 ZINC000765014402 1127563156 /nfs/dbraw/zinc/56/31/56/1127563156.db2.gz QNNRRFWVOFHAKX-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3c4c(nn3C)CCCC4)c2)[nH+]c1C ZINC000765056827 1127567724 /nfs/dbraw/zinc/56/77/24/1127567724.db2.gz VQIABNZFIHGPSH-UHFFFAOYSA-N 1 2 349.438 3.558 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000765057818 1127568124 /nfs/dbraw/zinc/56/81/24/1127568124.db2.gz VKLTYSTWWLMCNO-GOSISDBHSA-N 1 2 346.268 3.758 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000765057818 1127568127 /nfs/dbraw/zinc/56/81/27/1127568127.db2.gz VKLTYSTWWLMCNO-GOSISDBHSA-N 1 2 346.268 3.758 20 0 EHADLO Cc1nc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)cc1Cl ZINC001212349525 1127585490 /nfs/dbraw/zinc/58/54/90/1127585490.db2.gz AJZYXNUOZLMDFX-UHFFFAOYSA-N 1 2 339.226 3.672 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000010107188 1127628296 /nfs/dbraw/zinc/62/82/96/1127628296.db2.gz ZSYNCICGOZFPCK-UHFFFAOYSA-N 1 2 342.508 3.589 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000010107188 1127628300 /nfs/dbraw/zinc/62/83/00/1127628300.db2.gz ZSYNCICGOZFPCK-UHFFFAOYSA-N 1 2 342.508 3.589 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000171957204 1127637958 /nfs/dbraw/zinc/63/79/58/1127637958.db2.gz GZNLAPPIPBCUAM-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000171957204 1127637961 /nfs/dbraw/zinc/63/79/61/1127637961.db2.gz GZNLAPPIPBCUAM-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000888314653 1127647384 /nfs/dbraw/zinc/64/73/84/1127647384.db2.gz KMIUYFKGPBWTMK-QXMXGUDHSA-N 1 2 331.416 3.624 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000016420437 1127662195 /nfs/dbraw/zinc/66/21/95/1127662195.db2.gz QWUXFJNNZFTDPE-JSGCOSHPSA-N 1 2 334.510 3.996 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000016420437 1127662198 /nfs/dbraw/zinc/66/21/98/1127662198.db2.gz QWUXFJNNZFTDPE-JSGCOSHPSA-N 1 2 334.510 3.996 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(F)c3)CC2)s1 ZINC000020542021 1127679148 /nfs/dbraw/zinc/67/91/48/1127679148.db2.gz HVDCRUAJOZXOBY-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO C[NH+](Cc1cnn(-c2ccccc2)c1)Cc1cnn(-c2ccccc2)c1 ZINC000021319302 1127680888 /nfs/dbraw/zinc/68/08/88/1127680888.db2.gz DOTYAGLFEFBCGE-UHFFFAOYSA-N 1 2 343.434 3.690 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000023355479 1127695795 /nfs/dbraw/zinc/69/57/95/1127695795.db2.gz UAENHNXHGBXXKT-CYBMUJFWSA-N 1 2 330.378 3.547 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000023355479 1127695796 /nfs/dbraw/zinc/69/57/96/1127695796.db2.gz UAENHNXHGBXXKT-CYBMUJFWSA-N 1 2 330.378 3.547 20 0 EHADLO Cc1cccc(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000024970531 1127715212 /nfs/dbraw/zinc/71/52/12/1127715212.db2.gz PLHIIGGTKDHXSW-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C)nc1 ZINC000765644177 1127717996 /nfs/dbraw/zinc/71/79/96/1127717996.db2.gz ZJQBIXHYKNIJEI-KRWDZBQOSA-N 1 2 333.476 3.611 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C)nc1 ZINC000765644177 1127718000 /nfs/dbraw/zinc/71/80/00/1127718000.db2.gz ZJQBIXHYKNIJEI-KRWDZBQOSA-N 1 2 333.476 3.611 20 0 EHADLO Brc1ccc2c(c1)CN(Cc1cccc3[nH+]ccn31)C2 ZINC000765672700 1127722128 /nfs/dbraw/zinc/72/21/28/1127722128.db2.gz OSOFBPBPHDTCCZ-UHFFFAOYSA-N 1 2 328.213 3.613 20 0 EHADLO Cc1ccc2sc(Nc3ccc[nH+]c3N3CCOCC3)nc2c1 ZINC001212350376 1127765928 /nfs/dbraw/zinc/76/59/28/1127765928.db2.gz ULXIFSKFAQSJDR-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO COCc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000028933720 1127792237 /nfs/dbraw/zinc/79/22/37/1127792237.db2.gz XLMFKHDNIPQOTG-UHFFFAOYSA-N 1 2 345.468 3.528 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265585351 1127797046 /nfs/dbraw/zinc/79/70/46/1127797046.db2.gz DNBPUVZGJOYZGP-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO Cc1nc2ccccc2nc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029585225 1127803620 /nfs/dbraw/zinc/80/36/20/1127803620.db2.gz JHMMOTVWIKFLQA-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1sccc1-n1cccc1 ZINC000029911205 1127811155 /nfs/dbraw/zinc/81/11/55/1127811155.db2.gz ICQXPSQAZTWBTI-UHFFFAOYSA-N 1 2 334.404 3.977 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000265598883 1127815286 /nfs/dbraw/zinc/81/52/86/1127815286.db2.gz BXJWMPAJZGGHDM-CHWSQXEVSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCOCC12CC2 ZINC000338592676 1127871298 /nfs/dbraw/zinc/87/12/98/1127871298.db2.gz MYYNQQZXBVIMDP-UHFFFAOYSA-N 1 2 345.874 3.566 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCOCC12CC2 ZINC000338592676 1127871301 /nfs/dbraw/zinc/87/13/01/1127871301.db2.gz MYYNQQZXBVIMDP-UHFFFAOYSA-N 1 2 345.874 3.566 20 0 EHADLO CO[C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000624313122 1127927935 /nfs/dbraw/zinc/92/79/35/1127927935.db2.gz FXTKYJXAAANIOF-BIMULSAOSA-N 1 2 334.204 3.770 20 0 EHADLO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741700 1127941235 /nfs/dbraw/zinc/94/12/35/1127941235.db2.gz ZINOHUKPRLDGRX-KGLIPLIRSA-N 1 2 348.878 3.725 20 0 EHADLO Clc1cccc2ncc(Nc3ccc[nH+]c3N3CCOCC3)cc12 ZINC001212355858 1127945870 /nfs/dbraw/zinc/94/58/70/1127945870.db2.gz DWEFRGOYBPOTTF-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)o1 ZINC000045905129 1127963383 /nfs/dbraw/zinc/96/33/83/1127963383.db2.gz JHMHJSXSGRNBJL-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO Nc1ccccc1N(c1ccccc1)c1ccc[nH+]c1N1CCOCC1 ZINC001212358593 1127965009 /nfs/dbraw/zinc/96/50/09/1127965009.db2.gz ROIDJSSUCNDPCC-UHFFFAOYSA-N 1 2 346.434 3.970 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)CCOc3ccccc3F)o2)cc1 ZINC000046503507 1127980995 /nfs/dbraw/zinc/98/09/95/1127980995.db2.gz SYBUOALWBHAOCA-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)CCOc3ccccc3F)o2)cc1 ZINC000046503507 1127980999 /nfs/dbraw/zinc/98/09/99/1127980999.db2.gz SYBUOALWBHAOCA-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO CCOc1ccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047295877 1128005457 /nfs/dbraw/zinc/00/54/57/1128005457.db2.gz GKXFWHBAQSVUNH-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000057431068 1128049253 /nfs/dbraw/zinc/04/92/53/1128049253.db2.gz UICTZKVSSXMFCT-QWHCGFSZSA-N 1 2 339.361 3.600 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(C)on2)ccc1OCc1ccccc1 ZINC000057620841 1128054041 /nfs/dbraw/zinc/05/40/41/1128054041.db2.gz GZCKDRLGUCWTRE-UHFFFAOYSA-N 1 2 338.407 3.860 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2c(F)cccc2Br)ccn1 ZINC000347537306 1128055349 /nfs/dbraw/zinc/05/53/49/1128055349.db2.gz JWUSTUPSTVVXPI-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000058217257 1128063917 /nfs/dbraw/zinc/06/39/17/1128063917.db2.gz NFYSRWJWXCMAAI-UHFFFAOYSA-N 1 2 346.434 3.535 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2cc(=O)[nH]c3ccccc32)no1)c1ccccc1 ZINC000347549939 1128069330 /nfs/dbraw/zinc/06/93/30/1128069330.db2.gz FCOQBRCLBWCEOO-GOSISDBHSA-N 1 2 346.390 3.641 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000347555531 1128077779 /nfs/dbraw/zinc/07/77/79/1128077779.db2.gz KXOBFYQOYHRYCW-OAHLLOKOSA-N 1 2 340.427 3.558 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000347555531 1128077784 /nfs/dbraw/zinc/07/77/84/1128077784.db2.gz KXOBFYQOYHRYCW-OAHLLOKOSA-N 1 2 340.427 3.558 20 0 EHADLO Cc1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000064411981 1128072866 /nfs/dbraw/zinc/07/28/66/1128072866.db2.gz JPHASDYYFTUQND-UHFFFAOYSA-N 1 2 329.381 3.910 20 0 EHADLO CCc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058605086 1128073670 /nfs/dbraw/zinc/07/36/70/1128073670.db2.gz NTZPCTAYAJEBAX-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)ccn1 ZINC000347554782 1128079078 /nfs/dbraw/zinc/07/90/78/1128079078.db2.gz JRUOAPZBMDRLPA-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000281843995 1128088358 /nfs/dbraw/zinc/08/83/58/1128088358.db2.gz MPZSGSNPWVILFX-UHFFFAOYSA-N 1 2 338.238 3.845 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000281843995 1128088362 /nfs/dbraw/zinc/08/83/62/1128088362.db2.gz MPZSGSNPWVILFX-UHFFFAOYSA-N 1 2 338.238 3.845 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000060408129 1128100794 /nfs/dbraw/zinc/10/07/94/1128100794.db2.gz RWFUWOYOTNJVIQ-UHFFFAOYSA-N 1 2 343.427 3.961 20 0 EHADLO COc1cccc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000060463118 1128102219 /nfs/dbraw/zinc/10/22/19/1128102219.db2.gz OGRPEYKQWLWRDF-UHFFFAOYSA-N 1 2 336.888 3.728 20 0 EHADLO Cc1cc(C)cc(OCCCn2c3ccccc3[nH+]c2NCCO)c1 ZINC000061111560 1128119286 /nfs/dbraw/zinc/11/92/86/1128119286.db2.gz PGKFXWHWKHWJSV-UHFFFAOYSA-N 1 2 339.439 3.526 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)cc(OC)c1O ZINC000347604748 1128131684 /nfs/dbraw/zinc/13/16/84/1128131684.db2.gz DSDDLKFZFPQPQT-NSHDSACASA-N 1 2 337.366 3.881 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)cc(OC)c1O ZINC000347604748 1128131687 /nfs/dbraw/zinc/13/16/87/1128131687.db2.gz DSDDLKFZFPQPQT-NSHDSACASA-N 1 2 337.366 3.881 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NCCNc1cccc[nH+]1 ZINC000063704031 1128152222 /nfs/dbraw/zinc/15/22/22/1128152222.db2.gz PRHMLQCMOQZBDQ-UHFFFAOYSA-N 1 2 329.400 3.586 20 0 EHADLO O=C(C[N@H+]1CC=C(c2cccc3ccccc32)CC1)NCc1ccco1 ZINC000063762779 1128155286 /nfs/dbraw/zinc/15/52/86/1128155286.db2.gz NOSDWJPBIWFADT-UHFFFAOYSA-N 1 2 346.430 3.838 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)NCc1ccco1 ZINC000063762779 1128155288 /nfs/dbraw/zinc/15/52/88/1128155288.db2.gz NOSDWJPBIWFADT-UHFFFAOYSA-N 1 2 346.430 3.838 20 0 EHADLO Cc1nc(F)ccc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001203553975 1128191219 /nfs/dbraw/zinc/19/12/19/1128191219.db2.gz SMGZOPORQLNEDG-UHFFFAOYSA-N 1 2 333.313 3.752 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nnc2ccccc2c1=S ZINC000734477933 1131242479 /nfs/dbraw/zinc/24/24/79/1131242479.db2.gz VNFOIUGJVYXVBF-HOCLYGCPSA-N 1 2 336.464 3.996 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nnc2ccccc2c1=S ZINC000734477933 1131242482 /nfs/dbraw/zinc/24/24/82/1131242482.db2.gz VNFOIUGJVYXVBF-HOCLYGCPSA-N 1 2 336.464 3.996 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000067962562 1128254724 /nfs/dbraw/zinc/25/47/24/1128254724.db2.gz YQZCOLNZZGVJKM-HXUWFJFHSA-N 1 2 343.471 3.604 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000066444168 1128217869 /nfs/dbraw/zinc/21/78/69/1128217869.db2.gz RFZOFBMOFGXLQF-GOSISDBHSA-N 1 2 347.462 3.909 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)c3ccc(Cl)cc3)[nH+]c12 ZINC000066527314 1128220344 /nfs/dbraw/zinc/22/03/44/1128220344.db2.gz KWXNQSVMHVNUAL-UHFFFAOYSA-N 1 2 341.842 3.890 20 0 EHADLO COC(=O)c1occc1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000074235872 1128337744 /nfs/dbraw/zinc/33/77/44/1128337744.db2.gz GAJPLMBZCLKKEB-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO COC(=O)c1occc1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000074235872 1128337749 /nfs/dbraw/zinc/33/77/49/1128337749.db2.gz GAJPLMBZCLKKEB-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[C@H]2C=CCC2)CC1 ZINC001687482810 1128342019 /nfs/dbraw/zinc/34/20/19/1128342019.db2.gz DPTQDLIRVSCFRJ-IRXDYDNUSA-N 1 2 347.528 3.883 20 0 EHADLO Cc1nc(N2CCC(Cc3nc(C4CCC4)no3)CC2)c(C)c(C)[nH+]1 ZINC000624649270 1128416763 /nfs/dbraw/zinc/41/67/63/1128416763.db2.gz OYGQXYURNGJSQJ-UHFFFAOYSA-N 1 2 341.459 3.511 20 0 EHADLO CCCOc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000624581480 1128397737 /nfs/dbraw/zinc/39/77/37/1128397737.db2.gz GSTHGRQYLNJBFL-UHFFFAOYSA-N 1 2 337.423 3.921 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000921647882 1128428516 /nfs/dbraw/zinc/42/85/16/1128428516.db2.gz BQJSBGIBTABLEQ-OAHLLOKOSA-N 1 2 329.835 3.573 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3nn(C)c4c3CCCC4)cc2)[nH+]c1C ZINC000921657389 1128438550 /nfs/dbraw/zinc/43/85/50/1128438550.db2.gz SUANOSRMWLQCPW-UHFFFAOYSA-N 1 2 349.438 3.558 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3c4c(nn3C)CCCC4)cc2)[nH+]c1C ZINC000921659125 1128439131 /nfs/dbraw/zinc/43/91/31/1128439131.db2.gz APMZXRRPGZFIEW-UHFFFAOYSA-N 1 2 349.438 3.558 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc4c([nH]c3=O)CCC4)cc2)[nH+]c1C ZINC000921664799 1128442954 /nfs/dbraw/zinc/44/29/54/1128442954.db2.gz GIQRYCUUMKGRTL-UHFFFAOYSA-N 1 2 348.406 3.535 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CSC(F)(F)F)cc2)[nH+]c1C ZINC000921666134 1128445227 /nfs/dbraw/zinc/44/52/27/1128445227.db2.gz PLHVGQDVDJPJLK-UHFFFAOYSA-N 1 2 329.347 3.885 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1cscc1Br ZINC000352772581 1128445736 /nfs/dbraw/zinc/44/57/36/1128445736.db2.gz QZOXDEQXVOQJNX-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO Cc1cn2cc(NC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)ccc2[nH+]1 ZINC000542674260 1128496309 /nfs/dbraw/zinc/49/63/09/1128496309.db2.gz PICTUGPFUBXULU-DYVFJYSZSA-N 1 2 335.411 3.653 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1)c1ccccc1 ZINC000347636556 1128502070 /nfs/dbraw/zinc/50/20/70/1128502070.db2.gz MLAPBXGYVQIPEM-SFHVURJKSA-N 1 2 344.455 3.636 20 0 EHADLO Cc1csc([C@H]2CCCC[N@@H+]2Cc2cnn(CC(F)(F)F)c2)n1 ZINC000353106568 1128533677 /nfs/dbraw/zinc/53/36/77/1128533677.db2.gz DEXRIGJJRYWCBF-CYBMUJFWSA-N 1 2 344.406 3.938 20 0 EHADLO Cc1csc([C@H]2CCCC[N@H+]2Cc2cnn(CC(F)(F)F)c2)n1 ZINC000353106568 1128533680 /nfs/dbraw/zinc/53/36/80/1128533680.db2.gz DEXRIGJJRYWCBF-CYBMUJFWSA-N 1 2 344.406 3.938 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057373185 1128632462 /nfs/dbraw/zinc/63/24/62/1128632462.db2.gz RKBRDXDXDTYBEY-AWEZNQCLSA-N 1 2 334.851 3.719 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000172590319 1128678207 /nfs/dbraw/zinc/67/82/07/1128678207.db2.gz IAFBWVCTPWEJHG-JTQLQIEISA-N 1 2 343.374 3.693 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000172590319 1128678208 /nfs/dbraw/zinc/67/82/08/1128678208.db2.gz IAFBWVCTPWEJHG-JTQLQIEISA-N 1 2 343.374 3.693 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(Br)cc1F ZINC000921725685 1128674823 /nfs/dbraw/zinc/67/48/23/1128674823.db2.gz NPIKPTOILCUDRZ-UHFFFAOYSA-N 1 2 346.631 3.817 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)n1 ZINC000156349296 1128742586 /nfs/dbraw/zinc/74/25/86/1128742586.db2.gz VQSVDFHSWSZIIH-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cnn1-c1ccc(F)cc1 ZINC000347667797 1128749707 /nfs/dbraw/zinc/74/97/07/1128749707.db2.gz DITUBSFILOTOKL-CQSZACIVSA-N 1 2 341.434 3.948 20 0 EHADLO Cc1cccc([C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C(C)C)c1 ZINC000624797140 1128756611 /nfs/dbraw/zinc/75/66/11/1128756611.db2.gz FOLSUKRGFPMMQQ-IBGZPJMESA-N 1 2 336.439 3.839 20 0 EHADLO COc1cc(CNc2ccc(-n3cccc3)c[nH+]2)cc(OC)c1OC ZINC001168669135 1128757286 /nfs/dbraw/zinc/75/72/86/1128757286.db2.gz BDGMUVJMHACPED-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672157679 1128821582 /nfs/dbraw/zinc/82/15/82/1128821582.db2.gz HGQRXPHMHDSSPK-LJQANCHMSA-N 1 2 339.483 3.536 20 0 EHADLO Cc1cccn2cc(C[NH+]3CCN(c4cccc(C)c4C)CC3)nc12 ZINC000007486295 1128868440 /nfs/dbraw/zinc/86/84/40/1128868440.db2.gz CPKONXRBVRDURK-UHFFFAOYSA-N 1 2 334.467 3.582 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000672252074 1128881905 /nfs/dbraw/zinc/88/19/05/1128881905.db2.gz BWTOXIHFDVEZDB-ZDUSSCGKSA-N 1 2 328.464 3.510 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000672252074 1128881907 /nfs/dbraw/zinc/88/19/07/1128881907.db2.gz BWTOXIHFDVEZDB-ZDUSSCGKSA-N 1 2 328.464 3.510 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109084218 1120020234 /nfs/dbraw/zinc/02/02/34/1120020234.db2.gz UAZVNCPUIMSKQH-JKSUJKDBSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC001648856870 1120056067 /nfs/dbraw/zinc/05/60/67/1120056067.db2.gz ABCKAGODTXHBCK-NSHDSACASA-N 1 2 334.872 3.863 20 0 EHADLO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC001648856870 1120056070 /nfs/dbraw/zinc/05/60/70/1120056070.db2.gz ABCKAGODTXHBCK-NSHDSACASA-N 1 2 334.872 3.863 20 0 EHADLO COc1nsc(C[NH2+]Cc2ccccc2OC(C)C)c1Cl ZINC001648889455 1120060684 /nfs/dbraw/zinc/06/06/84/1120060684.db2.gz XLVGBOKTOZBWCD-UHFFFAOYSA-N 1 2 326.849 3.882 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(-c3ncco3)ccc2C)c[nH+]1 ZINC001670448733 1120075244 /nfs/dbraw/zinc/07/52/44/1120075244.db2.gz DEONIXCCCRKJPJ-UHFFFAOYSA-N 1 2 336.395 3.984 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000253546751 1128889861 /nfs/dbraw/zinc/88/98/61/1128889861.db2.gz UJQRBPWFXKBRFO-TXPKVOOTSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c2ccccc12 ZINC000073870271 1120099016 /nfs/dbraw/zinc/09/90/16/1120099016.db2.gz RSJQTOQYKNVQPE-UHFFFAOYSA-N 1 2 327.428 3.600 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(N2CCCC2)nc1 ZINC000128915500 1120134303 /nfs/dbraw/zinc/13/43/03/1120134303.db2.gz DWHDFKLYGLHRIR-UHFFFAOYSA-N 1 2 339.418 3.803 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1ncc(Br)s1 ZINC000542947523 1128897324 /nfs/dbraw/zinc/89/73/24/1128897324.db2.gz FHHNAVYRDOVVDR-UHFFFAOYSA-N 1 2 341.274 3.939 20 0 EHADLO COc1cccc2c1CC[N@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000542947182 1128898344 /nfs/dbraw/zinc/89/83/44/1128898344.db2.gz UTPIBIGBFRSTFW-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000542947182 1128898346 /nfs/dbraw/zinc/89/83/46/1128898346.db2.gz UTPIBIGBFRSTFW-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ncoc1-c1ccccc1 ZINC000112003109 1128900203 /nfs/dbraw/zinc/90/02/03/1128900203.db2.gz DCBTWUVDYFSLMQ-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2ccncc2OCC(F)F)s1 ZINC000441344354 1120268912 /nfs/dbraw/zinc/26/89/12/1120268912.db2.gz DWYPQXFTEPYGSK-UHFFFAOYSA-N 1 2 341.427 3.769 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(Br)c1 ZINC000008119209 1128903479 /nfs/dbraw/zinc/90/34/79/1128903479.db2.gz BMILMQMULZPYFF-CYBMUJFWSA-N 1 2 339.277 3.961 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000355147904 1128907654 /nfs/dbraw/zinc/90/76/54/1128907654.db2.gz ZOHSTUWSNZLMKU-HNNXBMFYSA-N 1 2 331.485 3.646 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000355147904 1128907657 /nfs/dbraw/zinc/90/76/57/1128907657.db2.gz ZOHSTUWSNZLMKU-HNNXBMFYSA-N 1 2 331.485 3.646 20 0 EHADLO CC[C@H](C)CN(C)c1nnc(C(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001708572024 1120319971 /nfs/dbraw/zinc/31/99/71/1120319971.db2.gz LNSUVQLSNGGLSI-AWEZNQCLSA-N 1 2 345.491 3.510 20 0 EHADLO Cc1cc(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c(C)c[nH+]1 ZINC000534326085 1120365789 /nfs/dbraw/zinc/36/57/89/1120365789.db2.gz HWCTVNAAOWSHSF-LBPRGKRZSA-N 1 2 331.366 3.550 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c(Br)c1 ZINC000008318392 1128914428 /nfs/dbraw/zinc/91/44/28/1128914428.db2.gz JHVOCBPXCPSQNR-ZDUSSCGKSA-N 1 2 339.277 3.816 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000185584835 1120420667 /nfs/dbraw/zinc/42/06/67/1120420667.db2.gz CKCRMWBMGLUOBX-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000185584835 1120420670 /nfs/dbraw/zinc/42/06/70/1120420670.db2.gz CKCRMWBMGLUOBX-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO Fc1ccccc1COc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000185623469 1120422241 /nfs/dbraw/zinc/42/22/41/1120422241.db2.gz MLHJLIFHTGQMJU-UHFFFAOYSA-N 1 2 329.400 3.546 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccc2ccc(Br)cc2n1 ZINC000357441831 1128917209 /nfs/dbraw/zinc/91/72/09/1128917209.db2.gz SAYNVTXIRQLPAN-UHFFFAOYSA-N 1 2 345.244 3.720 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@H]1C(F)(F)F ZINC000190182008 1120628928 /nfs/dbraw/zinc/62/89/28/1120628928.db2.gz YTQGXDNKKYJXLH-LLVKDONJSA-N 1 2 349.784 3.584 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@H]1C(F)(F)F ZINC000190182008 1120628930 /nfs/dbraw/zinc/62/89/30/1120628930.db2.gz YTQGXDNKKYJXLH-LLVKDONJSA-N 1 2 349.784 3.584 20 0 EHADLO Cc1cccc(C[NH2+]Cc2cn3ccccc3n2)c1Br ZINC000190320591 1120633886 /nfs/dbraw/zinc/63/38/86/1120633886.db2.gz UGCRQLIOTDSCDW-UHFFFAOYSA-N 1 2 330.229 3.695 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1nc(Cc2ccccc2)no1 ZINC000191595479 1120680957 /nfs/dbraw/zinc/68/09/57/1120680957.db2.gz POWLNFKUXWWICY-CQSZACIVSA-N 1 2 332.407 3.993 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC1CCOCC1 ZINC000192069202 1120710435 /nfs/dbraw/zinc/71/04/35/1120710435.db2.gz XTBGPEYTJUANMB-QGZVFWFLSA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CCOCC1 ZINC000192069202 1120710440 /nfs/dbraw/zinc/71/04/40/1120710440.db2.gz XTBGPEYTJUANMB-QGZVFWFLSA-N 1 2 339.863 3.693 20 0 EHADLO Clc1ncccc1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282108070 1120723671 /nfs/dbraw/zinc/72/36/71/1120723671.db2.gz PSHGCVBJQJPFLE-OAHLLOKOSA-N 1 2 330.863 3.647 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c(OCC)c1 ZINC000192252923 1120727649 /nfs/dbraw/zinc/72/76/49/1120727649.db2.gz HEHKMTDNQLFIPI-UHFFFAOYSA-N 1 2 343.471 3.705 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(C)(C)C2=CCCCC2)C1 ZINC000444103212 1120749513 /nfs/dbraw/zinc/74/95/13/1120749513.db2.gz UMGATZFEUFVPOH-INIZCTEOSA-N 1 2 344.503 3.836 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](C)c2ccccc2)c1C ZINC000195004273 1120759715 /nfs/dbraw/zinc/75/97/15/1120759715.db2.gz KFNQVIOSVZZSSZ-AWEZNQCLSA-N 1 2 326.440 3.859 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1N[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494792302 1120824593 /nfs/dbraw/zinc/82/45/93/1120824593.db2.gz QYXLFXYJUWSHPL-NZSAHSFTSA-N 1 2 327.472 3.832 20 0 EHADLO Clc1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000194160346 1120825685 /nfs/dbraw/zinc/82/56/85/1120825685.db2.gz PONHFHSYEYLYDP-KBRIMQKVSA-N 1 2 329.831 3.895 20 0 EHADLO CCCOc1cccc2c(NCCCOC[C@@H]3CCOC3)cc[nH+]c12 ZINC000194719754 1120857089 /nfs/dbraw/zinc/85/70/89/1120857089.db2.gz NDSMOKQKSDJBRD-INIZCTEOSA-N 1 2 344.455 3.879 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000914532389 1120881800 /nfs/dbraw/zinc/88/18/00/1120881800.db2.gz HKVKVBWXPWMXMX-INIZCTEOSA-N 1 2 337.533 3.934 20 0 EHADLO O=C1O[C@H](C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CN1c1ccccc1 ZINC000172788290 1128947030 /nfs/dbraw/zinc/94/70/30/1128947030.db2.gz VAQHNXIOXYFCDE-MRXNPFEDSA-N 1 2 347.418 3.551 20 0 EHADLO O=C1O[C@H](C[N@H+]2CCc3[nH]c4ccccc4c3C2)CN1c1ccccc1 ZINC000172788290 1128947032 /nfs/dbraw/zinc/94/70/32/1128947032.db2.gz VAQHNXIOXYFCDE-MRXNPFEDSA-N 1 2 347.418 3.551 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000542521565 1120900280 /nfs/dbraw/zinc/90/02/80/1120900280.db2.gz ODTPPBZKHUISLK-CZUORRHYSA-N 1 2 331.485 3.624 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3ncc(CC)s3)CC2)cc1F ZINC000494933680 1120904561 /nfs/dbraw/zinc/90/45/61/1120904561.db2.gz VMZHIDQRYOSPIY-UHFFFAOYSA-N 1 2 349.475 3.566 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000761935194 1121012154 /nfs/dbraw/zinc/01/21/54/1121012154.db2.gz XCHSNRJSHBFXNS-UHFFFAOYSA-N 1 2 346.452 3.526 20 0 EHADLO CCC[C@H]1C[C@@H](C(=O)Nc2nc(C[NH+](CC)CC)cs2)CCO1 ZINC000780400974 1121018351 /nfs/dbraw/zinc/01/83/51/1121018351.db2.gz NYACCEGGPWMUFD-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO c1cn(-c2ccc(-c3nc([C@H]4CCOc5ccccc54)no3)cc2)c[nH+]1 ZINC000762060261 1121084724 /nfs/dbraw/zinc/08/47/24/1121084724.db2.gz SIZGAJOASAUTSO-KRWDZBQOSA-N 1 2 344.374 3.837 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000762118987 1121111498 /nfs/dbraw/zinc/11/14/98/1121111498.db2.gz IHTNIGXIQQBHOW-KRWDZBQOSA-N 1 2 332.806 3.842 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000762118987 1121111500 /nfs/dbraw/zinc/11/15/00/1121111500.db2.gz IHTNIGXIQQBHOW-KRWDZBQOSA-N 1 2 332.806 3.842 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000762236199 1121206084 /nfs/dbraw/zinc/20/60/84/1121206084.db2.gz KHLZNFNJQFAOFF-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO Cc1ccc(C=Cc2nc(SCc3cc[nH+]c(N(C)C)c3)n[nH]2)o1 ZINC000762465775 1121317698 /nfs/dbraw/zinc/31/76/98/1121317698.db2.gz BICMTMLFRTZKRK-SREVYHEPSA-N 1 2 341.440 3.630 20 0 EHADLO CN(C)c1cc(COc2cc(Br)ccc2F)cc[nH+]1 ZINC000762476614 1121319015 /nfs/dbraw/zinc/31/90/15/1121319015.db2.gz FSENEJLQXNHGKJ-UHFFFAOYSA-N 1 2 325.181 3.628 20 0 EHADLO Cc1ccc(NC(=O)CSc2ccccc2Cl)c(N(C)C)[nH+]1 ZINC001127364900 1121395420 /nfs/dbraw/zinc/39/54/20/1121395420.db2.gz GPYOISFABMCOCW-UHFFFAOYSA-N 1 2 335.860 3.840 20 0 EHADLO C[C@H](CNC(=O)c1sc2ccccc2c1Cl)Cn1cc[nH+]c1 ZINC000153609095 1121412588 /nfs/dbraw/zinc/41/25/88/1121412588.db2.gz ZJGVJQDMHNSCHE-LLVKDONJSA-N 1 2 333.844 3.817 20 0 EHADLO CCc1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)on1 ZINC001203227001 1121444857 /nfs/dbraw/zinc/44/48/57/1121444857.db2.gz UTBOVQFTGFLLNT-UHFFFAOYSA-N 1 2 329.227 3.538 20 0 EHADLO CCc1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)on1 ZINC001203227001 1121444862 /nfs/dbraw/zinc/44/48/62/1121444862.db2.gz UTBOVQFTGFLLNT-UHFFFAOYSA-N 1 2 329.227 3.538 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnc3n2CCCC3)o1 ZINC000265800917 1128991136 /nfs/dbraw/zinc/99/11/36/1128991136.db2.gz NXOADTOFQYGUKP-MRXNPFEDSA-N 1 2 328.460 3.887 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2nnc3n2CCCC3)o1 ZINC000265800917 1128991139 /nfs/dbraw/zinc/99/11/39/1128991139.db2.gz NXOADTOFQYGUKP-MRXNPFEDSA-N 1 2 328.460 3.887 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCCC[C@H]1c1ccccc1 ZINC000763025745 1121660026 /nfs/dbraw/zinc/66/00/26/1121660026.db2.gz KCBJODRMRZMMNL-NRFANRHFSA-N 1 2 349.478 3.939 20 0 EHADLO CC(C)(C)OC1CC(CCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000763029421 1121660502 /nfs/dbraw/zinc/66/05/02/1121660502.db2.gz ZPCXCYYZXJIAMP-UHFFFAOYSA-N 1 2 345.491 3.977 20 0 EHADLO CCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000053949622 1121725790 /nfs/dbraw/zinc/72/57/90/1121725790.db2.gz ODENWQDVBZHVDO-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1scnc1C)[C@@H](C)c1ccc(F)cc1 ZINC000171751457 1121738032 /nfs/dbraw/zinc/73/80/32/1121738032.db2.gz HZZZYYARYYQUNS-AWEZNQCLSA-N 1 2 349.475 3.632 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1scnc1C)[C@@H](C)c1ccc(F)cc1 ZINC000171751457 1121738040 /nfs/dbraw/zinc/73/80/40/1121738040.db2.gz HZZZYYARYYQUNS-AWEZNQCLSA-N 1 2 349.475 3.632 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000055695775 1121857772 /nfs/dbraw/zinc/85/77/72/1121857772.db2.gz BECFGEMQVDDQQR-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000055696281 1121858506 /nfs/dbraw/zinc/85/85/06/1121858506.db2.gz JRYCTLMYSNGTOH-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763336142 1121967128 /nfs/dbraw/zinc/96/71/28/1121967128.db2.gz ZIFBTYFVIPMYSU-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763336142 1121967136 /nfs/dbraw/zinc/96/71/36/1121967136.db2.gz ZIFBTYFVIPMYSU-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO CCCn1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c1 ZINC000496320680 1122054620 /nfs/dbraw/zinc/05/46/20/1122054620.db2.gz FYGDLYBOGLLLFH-UHFFFAOYSA-N 1 2 344.459 3.930 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496341615 1122062783 /nfs/dbraw/zinc/06/27/83/1122062783.db2.gz JBLISODFVDEZKR-LBPRGKRZSA-N 1 2 345.399 3.541 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496341615 1122062791 /nfs/dbraw/zinc/06/27/91/1122062791.db2.gz JBLISODFVDEZKR-LBPRGKRZSA-N 1 2 345.399 3.541 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000916152899 1122074983 /nfs/dbraw/zinc/07/49/83/1122074983.db2.gz YLTSRFCRSUOCAA-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000916152899 1122074991 /nfs/dbraw/zinc/07/49/91/1122074991.db2.gz YLTSRFCRSUOCAA-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000922017050 1129029976 /nfs/dbraw/zinc/02/99/76/1129029976.db2.gz RYNDYUOJVJOAKL-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2c1CCCC2 ZINC000916466561 1122162816 /nfs/dbraw/zinc/16/28/16/1122162816.db2.gz ULRVHLOMPQUOSO-SFHVURJKSA-N 1 2 340.471 3.998 20 0 EHADLO CC(C)COc1ccccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000496999678 1122244462 /nfs/dbraw/zinc/24/44/62/1122244462.db2.gz GXEVZIRVDLSQHT-UHFFFAOYSA-N 1 2 346.496 3.531 20 0 EHADLO CC(C)COc1ccccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000496999678 1122244465 /nfs/dbraw/zinc/24/44/65/1122244465.db2.gz GXEVZIRVDLSQHT-UHFFFAOYSA-N 1 2 346.496 3.531 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccccn1 ZINC000125337358 1122312841 /nfs/dbraw/zinc/31/28/41/1122312841.db2.gz MLWKMCRMGPWHMS-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccccn1 ZINC000125337358 1122312846 /nfs/dbraw/zinc/31/28/46/1122312846.db2.gz MLWKMCRMGPWHMS-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000125499353 1122317937 /nfs/dbraw/zinc/31/79/37/1122317937.db2.gz XOTNGVGSGPCDLD-UHFFFAOYSA-N 1 2 340.349 3.542 20 0 EHADLO CC(C)COC(=O)Nc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000497120824 1122341067 /nfs/dbraw/zinc/34/10/67/1122341067.db2.gz SRUIIONMRJLTJN-AWEZNQCLSA-N 1 2 344.415 3.677 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000497124245 1122341960 /nfs/dbraw/zinc/34/19/60/1122341960.db2.gz LBRKLVZJFQTEOK-UHFFFAOYSA-N 1 2 346.471 3.509 20 0 EHADLO CCCOc1cccc2c(NCCNC(=O)C(C)(C)C)cc[nH+]c12 ZINC000497150229 1122348785 /nfs/dbraw/zinc/34/87/85/1122348785.db2.gz SKBQSECXPFZOAJ-UHFFFAOYSA-N 1 2 329.444 3.598 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000126032645 1122382119 /nfs/dbraw/zinc/38/21/19/1122382119.db2.gz SAKYTRRQFNSWAX-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000126032645 1122382125 /nfs/dbraw/zinc/38/21/25/1122382125.db2.gz SAKYTRRQFNSWAX-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NCC1CCC1 ZINC000066473835 1122470315 /nfs/dbraw/zinc/47/03/15/1122470315.db2.gz SIBFKQBZVSFVFU-SFHVURJKSA-N 1 2 346.521 3.673 20 0 EHADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NCC1CCC1 ZINC000066473835 1122470319 /nfs/dbraw/zinc/47/03/19/1122470319.db2.gz SIBFKQBZVSFVFU-SFHVURJKSA-N 1 2 346.521 3.673 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000127470682 1122486908 /nfs/dbraw/zinc/48/69/08/1122486908.db2.gz DVOZINNOVCNEOT-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000127470682 1122486910 /nfs/dbraw/zinc/48/69/10/1122486910.db2.gz DVOZINNOVCNEOT-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO CNc1ccc(Nc2ccc(C(=O)OC)cc2C(F)(F)F)c[nH+]1 ZINC001203454640 1122488832 /nfs/dbraw/zinc/48/88/32/1122488832.db2.gz HYAHNWPNCFHYJP-UHFFFAOYSA-N 1 2 325.290 3.672 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127863482 1122512163 /nfs/dbraw/zinc/51/21/63/1122512163.db2.gz VFBJLOXQAJCQEU-GOSISDBHSA-N 1 2 343.377 3.933 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)Cc1ccoc1 ZINC000497491290 1122565131 /nfs/dbraw/zinc/56/51/31/1122565131.db2.gz JDDOOTZTUIKREU-HXUWFJFHSA-N 1 2 344.430 3.898 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)Cc1ccoc1 ZINC000497491290 1122565133 /nfs/dbraw/zinc/56/51/33/1122565133.db2.gz JDDOOTZTUIKREU-HXUWFJFHSA-N 1 2 344.430 3.898 20 0 EHADLO O=C(NCCC1CCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154338788 1122565353 /nfs/dbraw/zinc/56/53/53/1122565353.db2.gz KHXVILNKDJDFPC-RBUKOAKNSA-N 1 2 338.455 3.601 20 0 EHADLO C[S@@](=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000128394814 1122584269 /nfs/dbraw/zinc/58/42/69/1122584269.db2.gz XVDUQQKWAZKYGF-GCJKJVERSA-N 1 2 331.506 3.714 20 0 EHADLO C[S@@](=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000128394814 1122584272 /nfs/dbraw/zinc/58/42/72/1122584272.db2.gz XVDUQQKWAZKYGF-GCJKJVERSA-N 1 2 331.506 3.714 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000068839356 1122711628 /nfs/dbraw/zinc/71/16/28/1122711628.db2.gz SWYKZBSUAUFGIU-FQEVSTJZSA-N 1 2 332.403 3.795 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000068938855 1122730450 /nfs/dbraw/zinc/73/04/50/1122730450.db2.gz KRSSMYOUNPQNFE-NSHDSACASA-N 1 2 333.794 3.670 20 0 EHADLO CCCCc1ccc(NC(=S)NCCCCn2cc[nH+]c2)cc1 ZINC000918164660 1122769877 /nfs/dbraw/zinc/76/98/77/1122769877.db2.gz XUCJFQTYYRJXMV-UHFFFAOYSA-N 1 2 330.501 3.993 20 0 EHADLO Cc1ccccc1C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000170705136 1122780774 /nfs/dbraw/zinc/78/07/74/1122780774.db2.gz AKHQQTKEVAQZEJ-UHFFFAOYSA-N 1 2 335.382 3.990 20 0 EHADLO C[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000556076530 1122803308 /nfs/dbraw/zinc/80/33/08/1122803308.db2.gz MBUPDFOUEKESFU-PXAZEXFGSA-N 1 2 328.366 3.566 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000672825441 1129080223 /nfs/dbraw/zinc/08/02/23/1129080223.db2.gz DXWWGKWLAAMPTR-MRXNPFEDSA-N 1 2 349.438 3.560 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cn2ccccc2n1 ZINC000556244578 1122895757 /nfs/dbraw/zinc/89/57/57/1122895757.db2.gz DOJFEJFXXHDQCK-RYUDHWBXSA-N 1 2 345.244 3.904 20 0 EHADLO COc1ccc(/C(C)=C/C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127451684 1122937806 /nfs/dbraw/zinc/93/78/06/1122937806.db2.gz CZECKVGXJWCDCJ-OUKQBFOZSA-N 1 2 325.412 3.507 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000070978915 1122947804 /nfs/dbraw/zinc/94/78/04/1122947804.db2.gz ULRIKNAXXCCLMY-MRXNPFEDSA-N 1 2 326.440 3.569 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000070978915 1122947807 /nfs/dbraw/zinc/94/78/07/1122947807.db2.gz ULRIKNAXXCCLMY-MRXNPFEDSA-N 1 2 326.440 3.569 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000010141884 1122982304 /nfs/dbraw/zinc/98/23/04/1122982304.db2.gz UTTMJPAQUIGQKF-FQEVSTJZSA-N 1 2 344.455 3.542 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000010141884 1122982308 /nfs/dbraw/zinc/98/23/08/1122982308.db2.gz UTTMJPAQUIGQKF-FQEVSTJZSA-N 1 2 344.455 3.542 20 0 EHADLO CC[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1(C(=O)OC)CCC1 ZINC000498639399 1123001313 /nfs/dbraw/zinc/00/13/13/1123001313.db2.gz RLXRKYKEXUHIJH-INIZCTEOSA-N 1 2 331.460 3.606 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1F ZINC000131381241 1123094593 /nfs/dbraw/zinc/09/45/93/1123094593.db2.gz JYYDYBXRJBNKCG-ZIAGYGMSSA-N 1 2 340.402 3.827 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649214662 1123130959 /nfs/dbraw/zinc/13/09/59/1123130959.db2.gz NEQKYOITMFCYNB-AZUAARDMSA-N 1 2 337.467 3.883 20 0 EHADLO CCSCC[C@@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000132151836 1123205176 /nfs/dbraw/zinc/20/51/76/1123205176.db2.gz RVURBHUZHFHDAG-GFCCVEGCSA-N 1 2 338.517 3.734 20 0 EHADLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000132151836 1123205180 /nfs/dbraw/zinc/20/51/80/1123205180.db2.gz RVURBHUZHFHDAG-GFCCVEGCSA-N 1 2 338.517 3.734 20 0 EHADLO CCc1ccc(-c2ccc(C[NH2+][C@H](C)c3nnc4n3CCC4)o2)cc1 ZINC000499224078 1123287219 /nfs/dbraw/zinc/28/72/19/1123287219.db2.gz VSJIRSGBFNCNFW-CQSZACIVSA-N 1 2 336.439 3.898 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)cc1 ZINC000499254006 1123304710 /nfs/dbraw/zinc/30/47/10/1123304710.db2.gz IXMAHBYBVYVJHC-SFHVURJKSA-N 1 2 349.377 3.740 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)cc1 ZINC000499254006 1123304713 /nfs/dbraw/zinc/30/47/13/1123304713.db2.gz IXMAHBYBVYVJHC-SFHVURJKSA-N 1 2 349.377 3.740 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000074985881 1123353548 /nfs/dbraw/zinc/35/35/48/1123353548.db2.gz SAAOGRVFSBTGDM-UHFFFAOYSA-N 1 2 341.436 3.560 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920313301 1123357184 /nfs/dbraw/zinc/35/71/84/1123357184.db2.gz VAVPTHQTEZACRA-XJKSGUPXSA-N 1 2 346.475 3.554 20 0 EHADLO COCc1ccc(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)o1 ZINC000133389102 1123390876 /nfs/dbraw/zinc/39/08/76/1123390876.db2.gz GIEZOHKODMRQTQ-UHFFFAOYSA-N 1 2 331.412 3.608 20 0 EHADLO COCc1ccc(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)o1 ZINC000133389102 1123390880 /nfs/dbraw/zinc/39/08/80/1123390880.db2.gz GIEZOHKODMRQTQ-UHFFFAOYSA-N 1 2 331.412 3.608 20 0 EHADLO CC(C)CC[NH+](CCC(C)C)Cc1csc(CS(C)(=O)=O)n1 ZINC000075593572 1123405269 /nfs/dbraw/zinc/40/52/69/1123405269.db2.gz ARRMZKJJJNRODX-UHFFFAOYSA-N 1 2 346.562 3.582 20 0 EHADLO CC(C)c1ccc(OCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000920767573 1123422330 /nfs/dbraw/zinc/42/23/30/1123422330.db2.gz HVWPPSWOMZXZFM-GOSISDBHSA-N 1 2 343.471 3.616 20 0 EHADLO CCCC[C@H](CC)CNC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920994629 1123445432 /nfs/dbraw/zinc/44/54/32/1123445432.db2.gz RETYKPOWYYOWOW-JKSUJKDBSA-N 1 2 338.565 3.978 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000921045828 1123458634 /nfs/dbraw/zinc/45/86/34/1123458634.db2.gz FSENAIZJGLHVRX-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000921045828 1123458635 /nfs/dbraw/zinc/45/86/35/1123458635.db2.gz FSENAIZJGLHVRX-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921149752 1123472418 /nfs/dbraw/zinc/47/24/18/1123472418.db2.gz XETWEWRPSVLNKO-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO CCc1ccc(C[N@H+](Cn2cc(Br)cn2)C2CC2)cc1 ZINC000921186150 1123479670 /nfs/dbraw/zinc/47/96/70/1123479670.db2.gz IXAOLHRHOQZUJH-UHFFFAOYSA-N 1 2 334.261 3.830 20 0 EHADLO CCc1ccc(C[N@@H+](Cn2cc(Br)cn2)C2CC2)cc1 ZINC000921186150 1123479672 /nfs/dbraw/zinc/47/96/72/1123479672.db2.gz IXAOLHRHOQZUJH-UHFFFAOYSA-N 1 2 334.261 3.830 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000763451062 1123504275 /nfs/dbraw/zinc/50/42/75/1123504275.db2.gz LULJHDQHDSXBLJ-LJQANCHMSA-N 1 2 348.402 3.654 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)n1 ZINC000921472681 1123548078 /nfs/dbraw/zinc/54/80/78/1123548078.db2.gz OBXMYENCWYVTDW-CQSZACIVSA-N 1 2 333.501 3.960 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077762625 1123579087 /nfs/dbraw/zinc/57/90/87/1123579087.db2.gz BYNMIKGXVFBRJJ-MRXNPFEDSA-N 1 2 346.434 3.592 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000135147059 1123586101 /nfs/dbraw/zinc/58/61/01/1123586101.db2.gz SRAKLJIZTDJSHG-GOSISDBHSA-N 1 2 345.464 3.887 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000135147059 1123586107 /nfs/dbraw/zinc/58/61/07/1123586107.db2.gz SRAKLJIZTDJSHG-GOSISDBHSA-N 1 2 345.464 3.887 20 0 EHADLO O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170832261 1123608430 /nfs/dbraw/zinc/60/84/30/1123608430.db2.gz FDIRSNQYUIYTJD-UHFFFAOYSA-N 1 2 345.358 3.884 20 0 EHADLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(NC(C)=O)c1 ZINC000136339792 1123688558 /nfs/dbraw/zinc/68/85/58/1123688558.db2.gz RXEUKUWZEBOLFW-CQSZACIVSA-N 1 2 334.460 3.587 20 0 EHADLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(NC(C)=O)c1 ZINC000136339792 1123688562 /nfs/dbraw/zinc/68/85/62/1123688562.db2.gz RXEUKUWZEBOLFW-CQSZACIVSA-N 1 2 334.460 3.587 20 0 EHADLO Cc1ccc(SC2(C(=O)NCCCn3cc[nH+]c3)CCCC2)cc1 ZINC000079505102 1123699843 /nfs/dbraw/zinc/69/98/43/1123699843.db2.gz QWSRLIICWVGWIR-UHFFFAOYSA-N 1 2 343.496 3.803 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000615328945 1123779408 /nfs/dbraw/zinc/77/94/08/1123779408.db2.gz HWUHHOPMWVTUMH-UONOGXRCSA-N 1 2 338.411 3.764 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000615335193 1123783141 /nfs/dbraw/zinc/78/31/41/1123783141.db2.gz PNUFOFGLMVXDJI-CABCVRRESA-N 1 2 346.421 3.671 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(-c2nccs2)cc1 ZINC000615480772 1123805018 /nfs/dbraw/zinc/80/50/18/1123805018.db2.gz ZXFHAIWNNVLBPH-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830432 1123868803 /nfs/dbraw/zinc/86/88/03/1123868803.db2.gz IIOKQTOPMMXWNB-DZGCQCFKSA-N 1 2 338.879 3.562 20 0 EHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830432 1123868812 /nfs/dbraw/zinc/86/88/12/1123868812.db2.gz IIOKQTOPMMXWNB-DZGCQCFKSA-N 1 2 338.879 3.562 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1C ZINC000245644865 1123907288 /nfs/dbraw/zinc/90/72/88/1123907288.db2.gz AZKKMLWMVRSQPI-DLBZAZTESA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1C ZINC000245644865 1123907292 /nfs/dbraw/zinc/90/72/92/1123907292.db2.gz AZKKMLWMVRSQPI-DLBZAZTESA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245660730 1123914935 /nfs/dbraw/zinc/91/49/35/1123914935.db2.gz HNWYNFGKRKGBGZ-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245660730 1123914937 /nfs/dbraw/zinc/91/49/37/1123914937.db2.gz HNWYNFGKRKGBGZ-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H](C)c1ccc(F)cc1 ZINC000616094076 1123941656 /nfs/dbraw/zinc/94/16/56/1123941656.db2.gz MRKXRJFLEJISGY-HNNXBMFYSA-N 1 2 344.434 3.815 20 0 EHADLO CCSc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000138495358 1123944631 /nfs/dbraw/zinc/94/46/31/1123944631.db2.gz ZQEMSBNTSSVIJT-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000616153922 1123952765 /nfs/dbraw/zinc/95/27/65/1123952765.db2.gz KUCGLNIOCDWJQE-QMCVQRASSA-N 1 2 343.858 3.630 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2F)c1 ZINC000068867069 1124038724 /nfs/dbraw/zinc/03/87/24/1124038724.db2.gz NLKPZWADGGDETE-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2F)c1 ZINC000068867069 1124038729 /nfs/dbraw/zinc/03/87/29/1124038729.db2.gz NLKPZWADGGDETE-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000353389208 1124057267 /nfs/dbraw/zinc/05/72/67/1124057267.db2.gz UKIASPGHDOQSJP-SUMWQHHRSA-N 1 2 331.485 3.876 20 0 EHADLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246276449 1124073735 /nfs/dbraw/zinc/07/37/35/1124073735.db2.gz SLERHQUTQWDFMC-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246276449 1124073737 /nfs/dbraw/zinc/07/37/37/1124073737.db2.gz SLERHQUTQWDFMC-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CCCCC[C@@H](CC)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000180811684 1124081052 /nfs/dbraw/zinc/08/10/52/1124081052.db2.gz FPDOPGGPVAVKFB-QZTJIDSGSA-N 1 2 331.504 3.893 20 0 EHADLO CC[C@H]1CCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543052861 1129165950 /nfs/dbraw/zinc/16/59/50/1129165950.db2.gz VNVDFZLWEWIHMI-ZWKOTPCHSA-N 1 2 332.492 3.664 20 0 EHADLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000543063086 1129176602 /nfs/dbraw/zinc/17/66/02/1129176602.db2.gz OBMFSXQMKGSOMO-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000543063086 1129176603 /nfs/dbraw/zinc/17/66/03/1129176603.db2.gz OBMFSXQMKGSOMO-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@@H](C)C(C)(C)C)c1)[NH+]1CCOCC1 ZINC000734649623 1131262418 /nfs/dbraw/zinc/26/24/18/1131262418.db2.gz JCZQLURVKGBHGV-HZPDHXFCSA-N 1 2 347.503 3.884 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000246543567 1124506524 /nfs/dbraw/zinc/50/65/24/1124506524.db2.gz CYUCDUSPHICIEK-LNMJFAINSA-N 1 2 340.471 3.846 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247343815 1124606084 /nfs/dbraw/zinc/60/60/84/1124606084.db2.gz HSRAGOHOLDVGDU-QXAKKESOSA-N 1 2 340.471 3.990 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247374544 1124607898 /nfs/dbraw/zinc/60/78/98/1124607898.db2.gz FNBZNASUQFGFCH-ULQDDVLXSA-N 1 2 347.503 3.806 20 0 EHADLO Cc1cccc(CCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000247896557 1124629226 /nfs/dbraw/zinc/62/92/26/1124629226.db2.gz XJMJAROXRURYJL-WDZFZDKYSA-N 1 2 348.490 3.785 20 0 EHADLO CCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000763489751 1124682370 /nfs/dbraw/zinc/68/23/70/1124682370.db2.gz IADHENPOEPPCEI-UZUQRXQVSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000763489751 1124682373 /nfs/dbraw/zinc/68/23/73/1124682373.db2.gz IADHENPOEPPCEI-UZUQRXQVSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000763489749 1124682587 /nfs/dbraw/zinc/68/25/87/1124682587.db2.gz IADHENPOEPPCEI-HXOBKFHXSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000763489749 1124682593 /nfs/dbraw/zinc/68/25/93/1124682593.db2.gz IADHENPOEPPCEI-HXOBKFHXSA-N 1 2 337.529 3.989 20 0 EHADLO Cc1cc(NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734834726 1131284624 /nfs/dbraw/zinc/28/46/24/1131284624.db2.gz FZZSSWJOUSDCHQ-AWEZNQCLSA-N 1 2 346.475 3.721 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2csc3ccccc23)C1=O ZINC000735070496 1131306439 /nfs/dbraw/zinc/30/64/39/1131306439.db2.gz PISOVPOVSRMRGZ-LJQANCHMSA-N 1 2 344.480 3.712 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2csc3ccccc23)C1=O ZINC000735070496 1131306443 /nfs/dbraw/zinc/30/64/43/1131306443.db2.gz PISOVPOVSRMRGZ-LJQANCHMSA-N 1 2 344.480 3.712 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000448783132 1124908387 /nfs/dbraw/zinc/90/83/87/1124908387.db2.gz GKZACVFRCZUDAL-IEBWSBKVSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)Oc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000735250861 1131325585 /nfs/dbraw/zinc/32/55/85/1131325585.db2.gz RYKGKALTKAZQEE-UHFFFAOYSA-N 1 2 336.391 3.938 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@@H](C)C1 ZINC001236850608 1125063160 /nfs/dbraw/zinc/06/31/60/1125063160.db2.gz GZUOJZIANNWPRW-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1occc1Br ZINC000735321590 1131331811 /nfs/dbraw/zinc/33/18/11/1131331811.db2.gz XQKMKCKZGNXQMX-GFCCVEGCSA-N 1 2 338.201 3.664 20 0 EHADLO N#Cc1ccccc1CSCC[NH2+]Cc1cccc(Cl)c1O ZINC000182022947 1125119149 /nfs/dbraw/zinc/11/91/49/1125119149.db2.gz JXTBWWZYEWBTLT-UHFFFAOYSA-N 1 2 332.856 3.940 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000618609686 1125124117 /nfs/dbraw/zinc/12/41/17/1125124117.db2.gz OZLUNRVFMZSJPB-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000618609686 1125124122 /nfs/dbraw/zinc/12/41/22/1125124122.db2.gz OZLUNRVFMZSJPB-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)ccc1F ZINC000093637635 1125279296 /nfs/dbraw/zinc/27/92/96/1125279296.db2.gz BKHRJQWCDGMXCP-QGZVFWFLSA-N 1 2 331.435 3.728 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)ccc1F ZINC000093637635 1125279300 /nfs/dbraw/zinc/27/93/00/1125279300.db2.gz BKHRJQWCDGMXCP-QGZVFWFLSA-N 1 2 331.435 3.728 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152711847 1125372551 /nfs/dbraw/zinc/37/25/51/1125372551.db2.gz DGNBZZKTRYYXQR-QZTJIDSGSA-N 1 2 329.488 3.629 20 0 EHADLO CC[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C)cc1 ZINC000152827845 1125385480 /nfs/dbraw/zinc/38/54/80/1125385480.db2.gz RLDKMGXHZYXNCP-PKOBYXMFSA-N 1 2 337.467 3.669 20 0 EHADLO CSCc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000066550694 1129184459 /nfs/dbraw/zinc/18/44/59/1129184459.db2.gz MJIZRHGHPQKUTA-UHFFFAOYSA-N 1 2 325.437 3.687 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114782119 1129193122 /nfs/dbraw/zinc/19/31/22/1129193122.db2.gz LZPCJRXRUZTVQO-QZTJIDSGSA-N 1 2 346.519 3.685 20 0 EHADLO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466109181 1129205539 /nfs/dbraw/zinc/20/55/39/1129205539.db2.gz XXHIKZBEBPRKCH-MSOLQXFVSA-N 1 2 347.528 3.544 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)ccn1 ZINC000347691008 1129208718 /nfs/dbraw/zinc/20/87/18/1129208718.db2.gz WRBGWRKLRPZOAP-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO c1cn(-c2ccc(NCc3ccc(O[C@@H]4CCOC4)cc3)cc2)c[nH+]1 ZINC000657320608 1129258581 /nfs/dbraw/zinc/25/85/81/1129258581.db2.gz VMKMTTYTTWRXGL-HXUWFJFHSA-N 1 2 335.407 3.652 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[nH]1 ZINC000657419735 1129309413 /nfs/dbraw/zinc/30/94/13/1129309413.db2.gz GRLKWSLRHIRKJN-LBPRGKRZSA-N 1 2 341.390 3.544 20 0 EHADLO CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466217637 1129309977 /nfs/dbraw/zinc/30/99/77/1129309977.db2.gz LNUVGMZIMXVENP-FUHWJXTLSA-N 1 2 340.471 3.983 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000543206209 1129344424 /nfs/dbraw/zinc/34/44/24/1129344424.db2.gz RFGNNDUXSDNQLO-OXQOHEQNSA-N 1 2 339.435 3.744 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000543206209 1129344427 /nfs/dbraw/zinc/34/44/27/1129344427.db2.gz RFGNNDUXSDNQLO-OXQOHEQNSA-N 1 2 339.435 3.744 20 0 EHADLO CC(C)c1nnc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2)s1 ZINC000358016880 1129351307 /nfs/dbraw/zinc/35/13/07/1129351307.db2.gz ADHBTZCHTGBTCP-HNNXBMFYSA-N 1 2 344.484 3.827 20 0 EHADLO CC(C)c1nnc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)s1 ZINC000358016880 1129351309 /nfs/dbraw/zinc/35/13/09/1129351309.db2.gz ADHBTZCHTGBTCP-HNNXBMFYSA-N 1 2 344.484 3.827 20 0 EHADLO O[C@H](C[NH2+]Cc1n[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000735676747 1131369208 /nfs/dbraw/zinc/36/92/08/1131369208.db2.gz DSWLVQPLUDTDPU-MRXNPFEDSA-N 1 2 336.222 3.693 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccn1Cc1ccccc1 ZINC000068419831 1129369433 /nfs/dbraw/zinc/36/94/33/1129369433.db2.gz PUMQVCZZNUQGTR-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO O[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000735676746 1131369720 /nfs/dbraw/zinc/36/97/20/1131369720.db2.gz DSWLVQPLUDTDPU-INIZCTEOSA-N 1 2 336.222 3.693 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+]3CCS[C@H](C)[C@H]3C)c2=S)c1 ZINC000735668670 1131371750 /nfs/dbraw/zinc/37/17/50/1131371750.db2.gz XPICAHUEKKBGRO-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+]3CCS[C@H](C)[C@H]3C)c2=S)c1 ZINC000735668670 1131371753 /nfs/dbraw/zinc/37/17/53/1131371753.db2.gz XPICAHUEKKBGRO-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000081318274 1129413449 /nfs/dbraw/zinc/41/34/49/1129413449.db2.gz FMUPSTPKCFEHBE-LJQANCHMSA-N 1 2 344.418 3.615 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470804 1129444544 /nfs/dbraw/zinc/44/45/44/1129444544.db2.gz BDBIJLZTKNHRCX-MRXNPFEDSA-N 1 2 349.544 3.824 20 0 EHADLO O=C(CC1CCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673472559 1129447122 /nfs/dbraw/zinc/44/71/22/1129447122.db2.gz UNDLDKQIKVVSJS-UHFFFAOYSA-N 1 2 335.517 3.578 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccccc2C(=O)OC(C)(C)C)c1Cl ZINC000922307873 1129455171 /nfs/dbraw/zinc/45/51/71/1129455171.db2.gz LJRHCNIRBYCKLZ-UHFFFAOYSA-N 1 2 349.862 3.627 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922315066 1129458974 /nfs/dbraw/zinc/45/89/74/1129458974.db2.gz GVIFDNKRUQJPLH-UHFFFAOYSA-N 1 2 345.752 3.971 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347713618 1129470425 /nfs/dbraw/zinc/47/04/25/1129470425.db2.gz BTGQGNWKIVZJBV-MRXNPFEDSA-N 1 2 331.423 3.513 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347713618 1129470427 /nfs/dbraw/zinc/47/04/27/1129470427.db2.gz BTGQGNWKIVZJBV-MRXNPFEDSA-N 1 2 331.423 3.513 20 0 EHADLO CCC(CC)(NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000069718677 1129477012 /nfs/dbraw/zinc/47/70/12/1129477012.db2.gz YQIHMIWKCYBKPY-UHFFFAOYSA-N 1 2 348.878 3.941 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)c(Cl)c1OC ZINC000922471886 1129544809 /nfs/dbraw/zinc/54/48/09/1129544809.db2.gz ZAXNVZCGTUDHQF-UHFFFAOYSA-N 1 2 338.860 3.592 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000922492043 1129553742 /nfs/dbraw/zinc/55/37/42/1129553742.db2.gz ZHQKSFHOOYVYFH-UHFFFAOYSA-N 1 2 327.453 3.755 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000275654846 1129555621 /nfs/dbraw/zinc/55/56/21/1129555621.db2.gz CRCASRYLLCGYBV-RBUKOAKNSA-N 1 2 345.483 3.632 20 0 EHADLO COc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)ccc1SC ZINC000922527028 1129562456 /nfs/dbraw/zinc/56/24/56/1129562456.db2.gz VVOLLIBFGVLCMA-KBXCAEBGSA-N 1 2 333.428 3.979 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1cccc(Cl)c1F ZINC000499933391 1129575397 /nfs/dbraw/zinc/57/53/97/1129575397.db2.gz DAKBLKTZVAYFBP-QGZVFWFLSA-N 1 2 346.789 3.957 20 0 EHADLO CCn1nc(C[NH2+]Cc2nc3c(s2)CCCC3)c2ccccc21 ZINC000922697465 1129630477 /nfs/dbraw/zinc/63/04/77/1129630477.db2.gz SREIYROXKHJJCU-UHFFFAOYSA-N 1 2 326.469 3.681 20 0 EHADLO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000428983351 1129664815 /nfs/dbraw/zinc/66/48/15/1129664815.db2.gz VDVOYFMENWRTSQ-CRAIPNDOSA-N 1 2 328.460 3.983 20 0 EHADLO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1Cc1cn(C(C)C)nn1 ZINC000428983351 1129664817 /nfs/dbraw/zinc/66/48/17/1129664817.db2.gz VDVOYFMENWRTSQ-CRAIPNDOSA-N 1 2 328.460 3.983 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673632672 1129717498 /nfs/dbraw/zinc/71/74/98/1129717498.db2.gz UMJQEEYLCDEOFZ-MRXNPFEDSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673632672 1129717502 /nfs/dbraw/zinc/71/75/02/1129717502.db2.gz UMJQEEYLCDEOFZ-MRXNPFEDSA-N 1 2 349.356 3.704 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(O)ccc1Cl)C2 ZINC000625109882 1129734840 /nfs/dbraw/zinc/73/48/40/1129734840.db2.gz XVGHYWBRUPRFDU-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(O)ccc1Cl)C2 ZINC000625109882 1129734843 /nfs/dbraw/zinc/73/48/43/1129734843.db2.gz XVGHYWBRUPRFDU-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(C)s1 ZINC000126316596 1129744018 /nfs/dbraw/zinc/74/40/18/1129744018.db2.gz VXTRTRGZSUJBGF-UHFFFAOYSA-N 1 2 344.480 3.758 20 0 EHADLO CC(C)(C)c1ccc([C@@H](NC(=O)Cn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000673649825 1129755046 /nfs/dbraw/zinc/75/50/46/1129755046.db2.gz OLAVTATZQOIYGN-OAHLLOKOSA-N 1 2 339.361 3.600 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625242363 1129782546 /nfs/dbraw/zinc/78/25/46/1129782546.db2.gz VABZSXDCBQEELQ-OAHLLOKOSA-N 1 2 337.423 3.598 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1CCc2ccccc2CC1 ZINC000625277149 1129798569 /nfs/dbraw/zinc/79/85/69/1129798569.db2.gz RPTLRVNKPHANGO-UHFFFAOYSA-N 1 2 337.467 3.585 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@]3(C)CCCc4ccccc43)[nH+]c12 ZINC000673727168 1129812857 /nfs/dbraw/zinc/81/28/57/1129812857.db2.gz SJSWTGAXZLLNFD-JOCHJYFZSA-N 1 2 347.462 3.596 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(CC(C)C)cc3)[nH+]c12 ZINC000673726055 1129813070 /nfs/dbraw/zinc/81/30/70/1129813070.db2.gz ZXZLTRDKPDOHMQ-UHFFFAOYSA-N 1 2 335.451 3.814 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000625337432 1129834132 /nfs/dbraw/zinc/83/41/32/1129834132.db2.gz ZFOQPBIRDBQEDS-UHFFFAOYSA-N 1 2 348.434 3.728 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429127595 1129837611 /nfs/dbraw/zinc/83/76/11/1129837611.db2.gz MHJKQSVTGSGFBR-CABCVRRESA-N 1 2 342.414 3.744 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429127595 1129837617 /nfs/dbraw/zinc/83/76/17/1129837617.db2.gz MHJKQSVTGSGFBR-CABCVRRESA-N 1 2 342.414 3.744 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CCc4ccccc43)[nH+]c12 ZINC000673781098 1129842874 /nfs/dbraw/zinc/84/28/74/1129842874.db2.gz LGPDNVNTNDHCNI-LJQANCHMSA-N 1 2 348.450 3.514 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381661 1129850958 /nfs/dbraw/zinc/85/09/58/1129850958.db2.gz HRVWJRDZFWFUSS-WCBMZHEXSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381661 1129850963 /nfs/dbraw/zinc/85/09/63/1129850963.db2.gz HRVWJRDZFWFUSS-WCBMZHEXSA-N 1 2 338.732 3.690 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572024 1129906516 /nfs/dbraw/zinc/90/65/16/1129906516.db2.gz FLAITPRIRGYMRU-SCLBCKFNSA-N 1 2 348.537 3.918 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572024 1129906517 /nfs/dbraw/zinc/90/65/17/1129906517.db2.gz FLAITPRIRGYMRU-SCLBCKFNSA-N 1 2 348.537 3.918 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)c1c[nH]c2ccc(F)cc21 ZINC000625518896 1129914230 /nfs/dbraw/zinc/91/42/30/1129914230.db2.gz ZUXYIYZBVWPIAM-OAHLLOKOSA-N 1 2 330.403 3.523 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)c1c[nH]c2ccc(F)cc21 ZINC000625518896 1129914232 /nfs/dbraw/zinc/91/42/32/1129914232.db2.gz ZUXYIYZBVWPIAM-OAHLLOKOSA-N 1 2 330.403 3.523 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000282470576 1129914825 /nfs/dbraw/zinc/91/48/25/1129914825.db2.gz WVCPHPZYLVTJLH-SFHVURJKSA-N 1 2 337.467 3.856 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(CC)nc2)cc1 ZINC000347845309 1129917628 /nfs/dbraw/zinc/91/76/28/1129917628.db2.gz MCXBLKFUSPWORB-INIZCTEOSA-N 1 2 339.483 3.645 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(CC)nc2)cc1 ZINC000347845309 1129917630 /nfs/dbraw/zinc/91/76/30/1129917630.db2.gz MCXBLKFUSPWORB-INIZCTEOSA-N 1 2 339.483 3.645 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000347861765 1129938879 /nfs/dbraw/zinc/93/88/79/1129938879.db2.gz UXAIPWJTPDAKHF-HNNXBMFYSA-N 1 2 347.553 3.819 20 0 EHADLO CN(C)Cc1cnc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000347861765 1129938881 /nfs/dbraw/zinc/93/88/81/1129938881.db2.gz UXAIPWJTPDAKHF-HNNXBMFYSA-N 1 2 347.553 3.819 20 0 EHADLO CN(C)Cc1cnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000347861765 1129938883 /nfs/dbraw/zinc/93/88/83/1129938883.db2.gz UXAIPWJTPDAKHF-HNNXBMFYSA-N 1 2 347.553 3.819 20 0 EHADLO O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000674023483 1129967473 /nfs/dbraw/zinc/96/74/73/1129967473.db2.gz IVDDWGLKERJXJI-YPMHNXCESA-N 1 2 340.349 3.825 20 0 EHADLO O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000134160430 1129983124 /nfs/dbraw/zinc/98/31/24/1129983124.db2.gz CLRNURDLGWWWAY-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1Oc1ccncc1 ZINC001128632968 1130018479 /nfs/dbraw/zinc/01/84/79/1130018479.db2.gz HBUBYRQJGPATHU-OAHLLOKOSA-N 1 2 336.395 3.969 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H](C)c3ccc(Cl)s3)[nH+]c12 ZINC000674254622 1130033637 /nfs/dbraw/zinc/03/36/37/1130033637.db2.gz ZPMUZGOSPVUFHL-LBPRGKRZSA-N 1 2 347.871 3.820 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000674253991 1130033698 /nfs/dbraw/zinc/03/36/98/1130033698.db2.gz OVIKADXHHDAQEP-UHFFFAOYSA-N 1 2 349.478 3.842 20 0 EHADLO C[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C1CCCC1 ZINC000674238631 1130035267 /nfs/dbraw/zinc/03/52/67/1130035267.db2.gz VCDCVTAUIDXOBD-HNNXBMFYSA-N 1 2 341.455 3.863 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000171381450 1130050356 /nfs/dbraw/zinc/05/03/56/1130050356.db2.gz KGZHWETTZMPZLM-GOSISDBHSA-N 1 2 339.414 3.952 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362712 1130074939 /nfs/dbraw/zinc/07/49/39/1130074939.db2.gz HMZOILUVXINVBP-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362712 1130074944 /nfs/dbraw/zinc/07/49/44/1130074944.db2.gz HMZOILUVXINVBP-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO Cc1nc2ccccn2c1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429230720 1130111249 /nfs/dbraw/zinc/11/12/49/1130111249.db2.gz MDNNFKNDVMUAHQ-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2OC(F)F)nn1 ZINC000658175190 1130233466 /nfs/dbraw/zinc/23/34/66/1130233466.db2.gz CGGRFPNHRHIGOB-LBPRGKRZSA-N 1 2 346.381 3.903 20 0 EHADLO c1nc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)oc1-c1ccccc1 ZINC000675023103 1130242099 /nfs/dbraw/zinc/24/20/99/1130242099.db2.gz DWEMJUWBWDMJAD-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133515 1130263779 /nfs/dbraw/zinc/26/37/79/1130263779.db2.gz CDSMTOHOOIISLV-SJLPKXTDSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133515 1130263780 /nfs/dbraw/zinc/26/37/80/1130263780.db2.gz CDSMTOHOOIISLV-SJLPKXTDSA-N 1 2 340.467 3.692 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000675255336 1130299270 /nfs/dbraw/zinc/29/92/70/1130299270.db2.gz LNTMLEVXITYKAD-WFASDCNBSA-N 1 2 343.427 3.960 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C(C)(C)C)s3)[nH+]c12 ZINC000675641397 1130436759 /nfs/dbraw/zinc/43/67/59/1130436759.db2.gz HTYFZBKKHOFKSH-UHFFFAOYSA-N 1 2 341.480 3.974 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676085705 1130530534 /nfs/dbraw/zinc/53/05/34/1130530534.db2.gz PCAHQVJJHDPEDB-ZDUSSCGKSA-N 1 2 326.400 3.660 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676085705 1130530538 /nfs/dbraw/zinc/53/05/38/1130530538.db2.gz PCAHQVJJHDPEDB-ZDUSSCGKSA-N 1 2 326.400 3.660 20 0 EHADLO Cc1cc(C)c(NC(=O)CCCn2cc[nH+]c2)c(Br)c1 ZINC000676294171 1130557688 /nfs/dbraw/zinc/55/76/88/1130557688.db2.gz SGCPDSMZUHLLPX-UHFFFAOYSA-N 1 2 336.233 3.681 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000727818888 1130600244 /nfs/dbraw/zinc/60/02/44/1130600244.db2.gz KKSKCLICGYKICM-INIZCTEOSA-N 1 2 348.491 3.973 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000727818888 1130600246 /nfs/dbraw/zinc/60/02/46/1130600246.db2.gz KKSKCLICGYKICM-INIZCTEOSA-N 1 2 348.491 3.973 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729985147 1130662627 /nfs/dbraw/zinc/66/26/27/1130662627.db2.gz IHQBDIIUUNJORP-QGZVFWFLSA-N 1 2 338.480 3.777 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729985147 1130662628 /nfs/dbraw/zinc/66/26/28/1130662628.db2.gz IHQBDIIUUNJORP-QGZVFWFLSA-N 1 2 338.480 3.777 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000730030174 1130665477 /nfs/dbraw/zinc/66/54/77/1130665477.db2.gz WJYPVYIXUIBPKP-UHFFFAOYSA-N 1 2 341.361 3.648 20 0 EHADLO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000731666825 1130828047 /nfs/dbraw/zinc/82/80/47/1130828047.db2.gz LQMSDUSYYHJOPH-IBGZPJMESA-N 1 2 339.435 3.711 20 0 EHADLO COc1ccc(C)cc1C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000731666825 1130828054 /nfs/dbraw/zinc/82/80/54/1130828054.db2.gz LQMSDUSYYHJOPH-IBGZPJMESA-N 1 2 339.435 3.711 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2ncn(CC)c2=S)cc1 ZINC000732526479 1130932175 /nfs/dbraw/zinc/93/21/75/1130932175.db2.gz GRZVMOVQMDGQRM-INIZCTEOSA-N 1 2 332.473 3.627 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(CC)c2=S)cc1 ZINC000732526479 1130932180 /nfs/dbraw/zinc/93/21/80/1130932180.db2.gz GRZVMOVQMDGQRM-INIZCTEOSA-N 1 2 332.473 3.627 20 0 EHADLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000732986827 1130979224 /nfs/dbraw/zinc/97/92/24/1130979224.db2.gz NUYWEBUHOAEUFN-LEHRNKBSSA-N 1 2 336.426 3.797 20 0 EHADLO CC1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000732986827 1130979227 /nfs/dbraw/zinc/97/92/27/1130979227.db2.gz NUYWEBUHOAEUFN-LEHRNKBSSA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000732989234 1130979978 /nfs/dbraw/zinc/97/99/78/1130979978.db2.gz QBTOLRGMSIIBKF-QWQRMKEZSA-N 1 2 336.426 3.606 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000732989234 1130979982 /nfs/dbraw/zinc/97/99/82/1130979982.db2.gz QBTOLRGMSIIBKF-QWQRMKEZSA-N 1 2 336.426 3.606 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)n1 ZINC000733136568 1130998686 /nfs/dbraw/zinc/99/86/86/1130998686.db2.gz ZHGHTRIWZWLLQC-DZGCQCFKSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199897 1131004532 /nfs/dbraw/zinc/00/45/32/1131004532.db2.gz WZGCAXPTHWMIAT-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199897 1131004533 /nfs/dbraw/zinc/00/45/33/1131004533.db2.gz WZGCAXPTHWMIAT-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)c3ccc(C)c(Cl)c3)[nH+]c12 ZINC000733223755 1131010947 /nfs/dbraw/zinc/01/09/47/1131010947.db2.gz DDEKXCOHOAHCSF-UHFFFAOYSA-N 1 2 327.815 3.810 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000733307523 1131019687 /nfs/dbraw/zinc/01/96/87/1131019687.db2.gz BAAAYBZJDGGQTQ-AWEZNQCLSA-N 1 2 337.464 3.535 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000733307523 1131019692 /nfs/dbraw/zinc/01/96/92/1131019692.db2.gz BAAAYBZJDGGQTQ-AWEZNQCLSA-N 1 2 337.464 3.535 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000733309525 1131020406 /nfs/dbraw/zinc/02/04/06/1131020406.db2.gz SBPHKJHUQCRFMB-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000733309525 1131020411 /nfs/dbraw/zinc/02/04/11/1131020411.db2.gz SBPHKJHUQCRFMB-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000733289276 1131022037 /nfs/dbraw/zinc/02/20/37/1131022037.db2.gz FKBJPKAWFLXVOM-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000733289276 1131022044 /nfs/dbraw/zinc/02/20/44/1131022044.db2.gz FKBJPKAWFLXVOM-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297467 1131023498 /nfs/dbraw/zinc/02/34/98/1131023498.db2.gz NVYBBEGYNNXJIV-DOMZBBRYSA-N 1 2 326.362 3.668 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297467 1131023503 /nfs/dbraw/zinc/02/35/03/1131023503.db2.gz NVYBBEGYNNXJIV-DOMZBBRYSA-N 1 2 326.362 3.668 20 0 EHADLO CCC1(c2ccc(Cl)cc2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000347968136 1131108741 /nfs/dbraw/zinc/10/87/41/1131108741.db2.gz WWFKEBJIHXHZHS-UHFFFAOYSA-N 1 2 345.874 3.897 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000282614344 1131113339 /nfs/dbraw/zinc/11/33/39/1131113339.db2.gz ZGLDAWRYBMAHAS-NSHDSACASA-N 1 2 326.366 3.903 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000347976162 1131115599 /nfs/dbraw/zinc/11/55/99/1131115599.db2.gz WRMMLMIBEDRPCI-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000347976162 1131115602 /nfs/dbraw/zinc/11/56/02/1131115602.db2.gz WRMMLMIBEDRPCI-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000348026120 1131122988 /nfs/dbraw/zinc/12/29/88/1131122988.db2.gz BEFPBBUMWKJXOY-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000348026120 1131122990 /nfs/dbraw/zinc/12/29/90/1131122990.db2.gz BEFPBBUMWKJXOY-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H]2CSCCc3ccccc32)cs1 ZINC000348045826 1131136428 /nfs/dbraw/zinc/13/64/28/1131136428.db2.gz RNCJIHXCVMWDLM-MLGOLLRUSA-N 1 2 334.510 3.971 20 0 EHADLO Cn1cc(-c2ccc(CNc3ccc(N4CCCC4)[nH+]c3)s2)cn1 ZINC000282686467 1131139590 /nfs/dbraw/zinc/13/95/90/1131139590.db2.gz TWQJFVVNDADNFH-UHFFFAOYSA-N 1 2 339.468 3.756 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2cccc(Cl)c2)c1C ZINC000736474023 1131421932 /nfs/dbraw/zinc/42/19/32/1131421932.db2.gz FVBAHHQCRFHZGU-UHFFFAOYSA-N 1 2 346.858 3.954 20 0 EHADLO CCC[N@@H+](Cc1ccc(C)cc1)Cn1ncn(CCCOC)c1=S ZINC000738028516 1131459365 /nfs/dbraw/zinc/45/93/65/1131459365.db2.gz WICFQZYYNQXLPT-UHFFFAOYSA-N 1 2 348.516 3.629 20 0 EHADLO CCC[N@H+](Cc1ccc(C)cc1)Cn1ncn(CCCOC)c1=S ZINC000738028516 1131459366 /nfs/dbraw/zinc/45/93/66/1131459366.db2.gz WICFQZYYNQXLPT-UHFFFAOYSA-N 1 2 348.516 3.629 20 0 EHADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(-c2cc(C)cc(C)c2)oc1=S ZINC000738075187 1131460356 /nfs/dbraw/zinc/46/03/56/1131460356.db2.gz GCNGDBFYIQFQBG-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2cc(C)cc(C)c2)oc1=S ZINC000738075187 1131460358 /nfs/dbraw/zinc/46/03/58/1131460358.db2.gz GCNGDBFYIQFQBG-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)CC1 ZINC000738252784 1131464458 /nfs/dbraw/zinc/46/44/58/1131464458.db2.gz BDWCZMJJHURPMF-AWEZNQCLSA-N 1 2 334.489 3.989 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)CC1 ZINC000738252784 1131464461 /nfs/dbraw/zinc/46/44/61/1131464461.db2.gz BDWCZMJJHURPMF-AWEZNQCLSA-N 1 2 334.489 3.989 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)CC1 ZINC000738252785 1131464778 /nfs/dbraw/zinc/46/47/78/1131464778.db2.gz BDWCZMJJHURPMF-CQSZACIVSA-N 1 2 334.489 3.989 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)CC1 ZINC000738252785 1131464782 /nfs/dbraw/zinc/46/47/82/1131464782.db2.gz BDWCZMJJHURPMF-CQSZACIVSA-N 1 2 334.489 3.989 20 0 EHADLO CCc1ccc(CN2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)s1 ZINC000738880835 1131486663 /nfs/dbraw/zinc/48/66/63/1131486663.db2.gz DTIRZBWUZWMNBD-LBPRGKRZSA-N 1 2 333.328 3.622 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738948190 1131490670 /nfs/dbraw/zinc/49/06/70/1131490670.db2.gz GAGJRMPJXFZAJN-MRXNPFEDSA-N 1 2 342.349 3.982 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc3ccccc3c2)cc1OC ZINC000739899177 1131513135 /nfs/dbraw/zinc/51/31/35/1131513135.db2.gz FQVCVTCXTYWHMC-UHFFFAOYSA-N 1 2 336.391 3.904 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000740749493 1131541192 /nfs/dbraw/zinc/54/11/92/1131541192.db2.gz AOEOVWNJKOLUBY-QGZVFWFLSA-N 1 2 332.488 3.608 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861425 1131549361 /nfs/dbraw/zinc/54/93/61/1131549361.db2.gz WQHLLGMFOBYIBZ-UONOGXRCSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861425 1131549365 /nfs/dbraw/zinc/54/93/65/1131549365.db2.gz WQHLLGMFOBYIBZ-UONOGXRCSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)cc1 ZINC000740860474 1131549541 /nfs/dbraw/zinc/54/95/41/1131549541.db2.gz FFSHPLJSBMVIDD-KBPBESRZSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)cc1 ZINC000740860474 1131549547 /nfs/dbraw/zinc/54/95/47/1131549547.db2.gz FFSHPLJSBMVIDD-KBPBESRZSA-N 1 2 333.457 3.781 20 0 EHADLO O=C(Oc1cccc2ccccc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741170653 1131583764 /nfs/dbraw/zinc/58/37/64/1131583764.db2.gz SCIABRISAHCZJH-NRFANRHFSA-N 1 2 347.414 3.646 20 0 EHADLO O=C(Oc1cccc2ccccc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741170653 1131583766 /nfs/dbraw/zinc/58/37/66/1131583766.db2.gz SCIABRISAHCZJH-NRFANRHFSA-N 1 2 347.414 3.646 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000742360084 1131709468 /nfs/dbraw/zinc/70/94/68/1131709468.db2.gz XEWQXBATNKXIBH-UHFFFAOYSA-N 1 2 344.358 3.930 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3cc[nH]c32)n1 ZINC000742573281 1131752524 /nfs/dbraw/zinc/75/25/24/1131752524.db2.gz MGNRJVJYDQIKBT-UHFFFAOYSA-N 1 2 328.441 3.719 20 0 EHADLO Cc1ccc2sc(Nc3ccc(C[NH+]4CC(O)C4)cc3)nc2c1 ZINC001212664292 1131755380 /nfs/dbraw/zinc/75/53/80/1131755380.db2.gz GVIRUFABGLMWDM-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO CCCCC[C@@H](C)CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000742631894 1131763908 /nfs/dbraw/zinc/76/39/08/1131763908.db2.gz VFGADZLGMLXMDT-GOSISDBHSA-N 1 2 346.515 3.946 20 0 EHADLO Nc1ccccc1-c1ccccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670431 1131780414 /nfs/dbraw/zinc/78/04/14/1131780414.db2.gz XELQDJDXEUWELT-UHFFFAOYSA-N 1 2 345.446 3.856 20 0 EHADLO CCCC[C@@](CC)([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OCC ZINC001172757731 1131836276 /nfs/dbraw/zinc/83/62/76/1131836276.db2.gz BLDQHNIERMIXOC-MAUKXSAKSA-N 1 2 329.481 3.598 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CCCCC1 ZINC001172836886 1131858869 /nfs/dbraw/zinc/85/88/69/1131858869.db2.gz JDZHPCDAZFRTEB-LBPRGKRZSA-N 1 2 327.827 3.876 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172839023 1131863655 /nfs/dbraw/zinc/86/36/55/1131863655.db2.gz AKSRZJMIFPFFGZ-SSDOTTSWSA-N 1 2 337.704 3.602 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc3ccn(C)c3c2)c1C ZINC000743203574 1131869013 /nfs/dbraw/zinc/86/90/13/1131869013.db2.gz MQVGVMHVCBVGCA-UHFFFAOYSA-N 1 2 338.411 3.520 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](Cn3cc[nH]c3=S)CC2)cc1 ZINC000743351731 1131897347 /nfs/dbraw/zinc/89/73/47/1131897347.db2.gz JKOUQPCFHXXVQR-UHFFFAOYSA-N 1 2 331.485 3.796 20 0 EHADLO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001172882773 1131897930 /nfs/dbraw/zinc/89/79/30/1131897930.db2.gz RKQNPAJIFMNMOA-LLVKDONJSA-N 1 2 333.831 3.931 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)C1=O ZINC000743374210 1131903848 /nfs/dbraw/zinc/90/38/48/1131903848.db2.gz PAVXXFQUGVNXMJ-ZTQAJYAQSA-N 1 2 346.446 3.587 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)C1=O ZINC000743374210 1131903853 /nfs/dbraw/zinc/90/38/53/1131903853.db2.gz PAVXXFQUGVNXMJ-ZTQAJYAQSA-N 1 2 346.446 3.587 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743347951 1131906333 /nfs/dbraw/zinc/90/63/33/1131906333.db2.gz BVMXHFFCXMVABK-QGZVFWFLSA-N 1 2 332.806 3.842 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743347951 1131906339 /nfs/dbraw/zinc/90/63/39/1131906339.db2.gz BVMXHFFCXMVABK-QGZVFWFLSA-N 1 2 332.806 3.842 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000743347061 1131906429 /nfs/dbraw/zinc/90/64/29/1131906429.db2.gz GCMFTBCIBGUMPV-CQSZACIVSA-N 1 2 327.453 3.546 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000743347061 1131906435 /nfs/dbraw/zinc/90/64/35/1131906435.db2.gz GCMFTBCIBGUMPV-CQSZACIVSA-N 1 2 327.453 3.546 20 0 EHADLO COC(=O)c1cc(Cl)cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694351 1131922882 /nfs/dbraw/zinc/92/28/82/1131922882.db2.gz XBDSZUDPCNVBCT-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc4nc(C5CCC5)nn4c3)cc2)c[nH+]1 ZINC001212695921 1131930154 /nfs/dbraw/zinc/93/01/54/1131930154.db2.gz YIOFLTLZFZLICM-UHFFFAOYSA-N 1 2 344.422 3.985 20 0 EHADLO COC(=O)c1cc(C)c(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699933 1131934302 /nfs/dbraw/zinc/93/43/02/1131934302.db2.gz KROFCDPBUITLKM-UHFFFAOYSA-N 1 2 339.370 3.909 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC001212698454 1131937428 /nfs/dbraw/zinc/93/74/28/1131937428.db2.gz UMTBLFLDSOJBJH-UHFFFAOYSA-N 1 2 339.370 3.909 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccnc1C1CC1 ZINC001212737978 1132087879 /nfs/dbraw/zinc/08/78/79/1132087879.db2.gz NNFMYRWHVXTQTA-UHFFFAOYSA-N 1 2 335.411 3.854 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000744437018 1132092942 /nfs/dbraw/zinc/09/29/42/1132092942.db2.gz ZBFLKLDOJBVFLM-GOSISDBHSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000744437018 1132092946 /nfs/dbraw/zinc/09/29/46/1132092946.db2.gz ZBFLKLDOJBVFLM-GOSISDBHSA-N 1 2 333.501 3.853 20 0 EHADLO COc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001173958627 1132183220 /nfs/dbraw/zinc/18/32/20/1132183220.db2.gz OOFWHJSOESQIBH-UHFFFAOYSA-N 1 2 330.185 3.566 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000745085729 1132190634 /nfs/dbraw/zinc/19/06/34/1132190634.db2.gz CNLDURODKPFABZ-INIZCTEOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000745085729 1132190641 /nfs/dbraw/zinc/19/06/41/1132190641.db2.gz CNLDURODKPFABZ-INIZCTEOSA-N 1 2 328.412 3.568 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(F)c1F ZINC001173946271 1132192454 /nfs/dbraw/zinc/19/24/54/1132192454.db2.gz YJUUNRYYKFIRFQ-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCOC1CCCCCC1)c1ccccc1 ZINC000745097594 1132192594 /nfs/dbraw/zinc/19/25/94/1132192594.db2.gz GWOAXTREAVLSHC-IBGZPJMESA-N 1 2 333.472 3.962 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCOC1CCCCCC1)c1ccccc1 ZINC000745097594 1132192596 /nfs/dbraw/zinc/19/25/96/1132192596.db2.gz GWOAXTREAVLSHC-IBGZPJMESA-N 1 2 333.472 3.962 20 0 EHADLO COc1ccc(F)cc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001173953650 1132193846 /nfs/dbraw/zinc/19/38/46/1132193846.db2.gz RXGMXERQGMECLC-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100200 1132194081 /nfs/dbraw/zinc/19/40/81/1132194081.db2.gz LLBLWOSSCURRHS-UXHICEINSA-N 1 2 339.435 3.537 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100200 1132194085 /nfs/dbraw/zinc/19/40/85/1132194085.db2.gz LLBLWOSSCURRHS-UXHICEINSA-N 1 2 339.435 3.537 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 ZINC000745097473 1132194369 /nfs/dbraw/zinc/19/43/69/1132194369.db2.gz DGRXRWZEXRXKRX-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 ZINC000745097473 1132194373 /nfs/dbraw/zinc/19/43/73/1132194373.db2.gz DGRXRWZEXRXKRX-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC(C)(C)NC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174126095 1132245084 /nfs/dbraw/zinc/24/50/84/1132245084.db2.gz AZLBDFLEWVUUCR-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO O=C(c1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1)N1CCCC1 ZINC001174171032 1132267007 /nfs/dbraw/zinc/26/70/07/1132267007.db2.gz IFMKUZJEYHPQTI-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO CCN(C)c1ccc(Nc2cccc(C(=O)NC3CCCC3)c2)c[nH+]1 ZINC001174196465 1132278542 /nfs/dbraw/zinc/27/85/42/1132278542.db2.gz NXNVDXKXEHKSBG-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO Cc1cc(F)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432025 1132352634 /nfs/dbraw/zinc/35/26/34/1132352634.db2.gz KWJVJVBRKAWNFT-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001174440541 1132358691 /nfs/dbraw/zinc/35/86/91/1132358691.db2.gz OVESTTJIHINIDH-UHFFFAOYSA-N 1 2 344.459 3.618 20 0 EHADLO CCOc1ncccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001174456176 1132374499 /nfs/dbraw/zinc/37/44/99/1132374499.db2.gz JPLGTLLMYUSDFP-UHFFFAOYSA-N 1 2 330.388 3.966 20 0 EHADLO CCCCc1oc2ccccc2c1/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000746244459 1132396688 /nfs/dbraw/zinc/39/66/88/1132396688.db2.gz OKPRADGNUMWHQZ-KTKRTIGZSA-N 1 2 337.423 3.871 20 0 EHADLO Clc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n2nccc2n1 ZINC001174522481 1132399475 /nfs/dbraw/zinc/39/94/75/1132399475.db2.gz NSOSJIXYNDYFBB-UHFFFAOYSA-N 1 2 328.807 3.512 20 0 EHADLO COc1ccc2c(c1Nc1ccc(N3CCCCC3)[nH+]c1)C(=O)CC2 ZINC001174523785 1132400559 /nfs/dbraw/zinc/40/05/59/1132400559.db2.gz RFRNQYMRMOMXDY-UHFFFAOYSA-N 1 2 337.423 3.953 20 0 EHADLO COCCn1cc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001174550236 1132413436 /nfs/dbraw/zinc/41/34/36/1132413436.db2.gz NKGZPGACHNIXEY-UHFFFAOYSA-N 1 2 347.216 3.584 20 0 EHADLO c1cc2c(cccc2Nc2cccc(OCC[NH+]3CCOCC3)c2)[nH]1 ZINC001174649415 1132439413 /nfs/dbraw/zinc/43/94/13/1132439413.db2.gz XHBWKVNLBRTHEQ-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321832 1132439461 /nfs/dbraw/zinc/43/94/61/1132439461.db2.gz YDCHQOALJMRUGH-HNNXBMFYSA-N 1 2 330.463 3.781 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321832 1132439465 /nfs/dbraw/zinc/43/94/65/1132439465.db2.gz YDCHQOALJMRUGH-HNNXBMFYSA-N 1 2 330.463 3.781 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)cc1 ZINC000188924954 1132440211 /nfs/dbraw/zinc/44/02/11/1132440211.db2.gz NCOICIFTPFPWNB-UHFFFAOYSA-N 1 2 326.425 3.667 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)cc1 ZINC000188924954 1132440213 /nfs/dbraw/zinc/44/02/13/1132440213.db2.gz NCOICIFTPFPWNB-UHFFFAOYSA-N 1 2 326.425 3.667 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000189072666 1132441897 /nfs/dbraw/zinc/44/18/97/1132441897.db2.gz ZEGKSMXPVLTITL-MRXNPFEDSA-N 1 2 333.435 3.679 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000189072666 1132441901 /nfs/dbraw/zinc/44/19/01/1132441901.db2.gz ZEGKSMXPVLTITL-MRXNPFEDSA-N 1 2 333.435 3.679 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1N ZINC000746323174 1132442788 /nfs/dbraw/zinc/44/27/88/1132442788.db2.gz UAGZLILNVCURGH-GFCCVEGCSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1N ZINC000746323174 1132442793 /nfs/dbraw/zinc/44/27/93/1132442793.db2.gz UAGZLILNVCURGH-GFCCVEGCSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189444841 1132444977 /nfs/dbraw/zinc/44/49/77/1132444977.db2.gz NYJZSSFMLTWFGE-MFKMUULPSA-N 1 2 339.270 3.954 20 0 EHADLO Clc1ccc2oc(C3CC[NH+](Cc4ncccn4)CC3)nc2c1 ZINC000192087264 1132467953 /nfs/dbraw/zinc/46/79/53/1132467953.db2.gz WWMYAATXULWKGN-UHFFFAOYSA-N 1 2 328.803 3.651 20 0 EHADLO Clc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1I ZINC001174798153 1132476664 /nfs/dbraw/zinc/47/66/64/1132476664.db2.gz MLPAKOXXPZQKLQ-GHMZBOCLSA-N 1 2 347.627 3.786 20 0 EHADLO Clc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1I ZINC001174798153 1132476669 /nfs/dbraw/zinc/47/66/69/1132476669.db2.gz MLPAKOXXPZQKLQ-GHMZBOCLSA-N 1 2 347.627 3.786 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193415305 1132481142 /nfs/dbraw/zinc/48/11/42/1132481142.db2.gz FPKAGONPMSRKTG-QGZVFWFLSA-N 1 2 329.444 3.645 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193415305 1132481145 /nfs/dbraw/zinc/48/11/45/1132481145.db2.gz FPKAGONPMSRKTG-QGZVFWFLSA-N 1 2 329.444 3.645 20 0 EHADLO COc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(OC)c1OC ZINC001174897275 1132497333 /nfs/dbraw/zinc/49/73/33/1132497333.db2.gz KPCHTPCRZHWVDT-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO Clc1nc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2s1 ZINC001174975787 1132510142 /nfs/dbraw/zinc/51/01/42/1132510142.db2.gz CWNMWWCTPGVHEQ-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO Nc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)cc1 ZINC001174976189 1132510256 /nfs/dbraw/zinc/51/02/56/1132510256.db2.gz NANLGOGJCHCSEH-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO Cc1cc(OC(F)F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977493 1132511147 /nfs/dbraw/zinc/51/11/47/1132511147.db2.gz SCLSKXJICQLAOT-UHFFFAOYSA-N 1 2 335.354 3.572 20 0 EHADLO CCO[C@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)C1CCCC1 ZINC000766420846 1132538727 /nfs/dbraw/zinc/53/87/27/1132538727.db2.gz FWUIOSRMIRNLEY-MRXNPFEDSA-N 1 2 345.491 3.979 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c(Br)c2F)C1 ZINC001249461897 1132548240 /nfs/dbraw/zinc/54/82/40/1132548240.db2.gz MMLCGAMYRGOBKZ-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2F)C1 ZINC001249461897 1132548248 /nfs/dbraw/zinc/54/82/48/1132548248.db2.gz MMLCGAMYRGOBKZ-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC001175165449 1132586733 /nfs/dbraw/zinc/58/67/33/1132586733.db2.gz SRTYTSQIWAGEEC-LJQANCHMSA-N 1 2 325.452 3.772 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC001175229716 1132601508 /nfs/dbraw/zinc/60/15/08/1132601508.db2.gz TVGJFVIRQMGQSH-GWCFXTLKSA-N 1 2 334.204 3.866 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC001175229716 1132601512 /nfs/dbraw/zinc/60/15/12/1132601512.db2.gz TVGJFVIRQMGQSH-GWCFXTLKSA-N 1 2 334.204 3.866 20 0 EHADLO Cc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)ccc1F ZINC001175251392 1132609427 /nfs/dbraw/zinc/60/94/27/1132609427.db2.gz OVQKKUDNIKCUTE-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CCCc1cc(NCCC(=O)Nc2ccccc2)nc(CCC)[nH+]1 ZINC001168975871 1132624719 /nfs/dbraw/zinc/62/47/19/1132624719.db2.gz GEBMEQRHGXAQLJ-UHFFFAOYSA-N 1 2 326.444 3.822 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1C(F)(F)F ZINC001175343553 1132627388 /nfs/dbraw/zinc/62/73/88/1132627388.db2.gz HPRHSHSCPPYDMT-UHFFFAOYSA-N 1 2 339.317 3.697 20 0 EHADLO Cc1ccccc1-c1ccc(NCCc2cn3ccccc3[nH+]2)nn1 ZINC001169003003 1132628526 /nfs/dbraw/zinc/62/85/26/1132628526.db2.gz WFCZCNPVEWNGBJ-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO COC(=O)c1ccc(C(F)(F)F)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175346145 1132629230 /nfs/dbraw/zinc/62/92/30/1132629230.db2.gz OPIZAGSXVJHPEP-UHFFFAOYSA-N 1 2 339.317 3.697 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(C)cc1C ZINC001175348668 1132630252 /nfs/dbraw/zinc/63/02/52/1132630252.db2.gz HOHPSLGWLJCNBY-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO CC1(C)Oc2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc2NC1=O ZINC001175350963 1132645762 /nfs/dbraw/zinc/64/57/62/1132645762.db2.gz GFYJOULBQXWGNR-UHFFFAOYSA-N 1 2 338.411 3.535 20 0 EHADLO COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(C(C)=O)cc1OC ZINC001175351725 1132646097 /nfs/dbraw/zinc/64/60/97/1132646097.db2.gz SRUDRYWBKQHDBQ-UHFFFAOYSA-N 1 2 341.411 3.645 20 0 EHADLO CCOc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cc(C(=O)OC)c1 ZINC001175352378 1132646265 /nfs/dbraw/zinc/64/62/65/1132646265.db2.gz UYWRXVYUJZAWKN-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Cn1ncc2c1cccc2Nc1cc(Br)c2[nH+]ccn2c1 ZINC001175435700 1132669428 /nfs/dbraw/zinc/66/94/28/1132669428.db2.gz IKXUZPMITDJDEO-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CC(C)OC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712687 1132740071 /nfs/dbraw/zinc/74/00/71/1132740071.db2.gz GZPJQPZMXOPMJS-UHFFFAOYSA-N 1 2 339.317 3.991 20 0 EHADLO CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175717672 1132742592 /nfs/dbraw/zinc/74/25/92/1132742592.db2.gz LNXQSBVEVUNCJP-UHFFFAOYSA-N 1 2 325.290 3.603 20 0 EHADLO COc1cc(F)c(Nc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC001175722384 1132743563 /nfs/dbraw/zinc/74/35/63/1132743563.db2.gz SMGPQSDSJFUBDJ-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO Cc1ccccc1-n1nccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710859 1132755180 /nfs/dbraw/zinc/75/51/80/1132755180.db2.gz LVCBHHNUAFRXDQ-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO COCCCCC[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000103227724 1132756132 /nfs/dbraw/zinc/75/61/32/1132756132.db2.gz JDDUKAIMUHJOCU-MRXNPFEDSA-N 1 2 342.277 3.639 20 0 EHADLO COCCCCC[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000103227724 1132756138 /nfs/dbraw/zinc/75/61/38/1132756138.db2.gz JDDUKAIMUHJOCU-MRXNPFEDSA-N 1 2 342.277 3.639 20 0 EHADLO COCCOc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001175785281 1132767822 /nfs/dbraw/zinc/76/78/22/1132767822.db2.gz OCOXCQYMBPWDPE-UHFFFAOYSA-N 1 2 328.290 3.749 20 0 EHADLO CCOC(=O)[C@H](Nc1cc[nH+]c(CC)c1)c1cccc2ccccc21 ZINC001169504034 1132772287 /nfs/dbraw/zinc/77/22/87/1132772287.db2.gz NCPHMHFTOCJELT-HXUWFJFHSA-N 1 2 334.419 3.935 20 0 EHADLO COC(=O)C1(c2ccc(Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC001175919049 1132796946 /nfs/dbraw/zinc/79/69/46/1132796946.db2.gz BLWTXXBCBVXREM-UHFFFAOYSA-N 1 2 333.391 3.821 20 0 EHADLO CCOC(=O)C[C@H](Nc1cc[nH+]c(OCC(C)C)c1)c1cccnc1 ZINC001169678780 1132817434 /nfs/dbraw/zinc/81/74/34/1132817434.db2.gz MZYAFECNKWTQLO-KRWDZBQOSA-N 1 2 343.427 3.618 20 0 EHADLO CC(=O)N1CC=C(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC001176029259 1132824453 /nfs/dbraw/zinc/82/44/53/1132824453.db2.gz MLAWFNUTQLTRNW-UHFFFAOYSA-N 1 2 346.228 3.545 20 0 EHADLO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000766791938 1132832689 /nfs/dbraw/zinc/83/26/89/1132832689.db2.gz YSZLSOCVHRUXPL-HNNXBMFYSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1nc(Cl)ccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000766791938 1132832697 /nfs/dbraw/zinc/83/26/97/1132832697.db2.gz YSZLSOCVHRUXPL-HNNXBMFYSA-N 1 2 325.239 3.944 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001176098028 1132834865 /nfs/dbraw/zinc/83/48/65/1132834865.db2.gz PQPUGZPOBDWSJG-HNNXBMFYSA-N 1 2 340.414 3.700 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001176098028 1132834872 /nfs/dbraw/zinc/83/48/72/1132834872.db2.gz PQPUGZPOBDWSJG-HNNXBMFYSA-N 1 2 340.414 3.700 20 0 EHADLO Fc1ncc(Br)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC001206262847 1132843721 /nfs/dbraw/zinc/84/37/21/1132843721.db2.gz CWRCLDDVYROKFK-CQSZACIVSA-N 1 2 345.281 3.702 20 0 EHADLO Fc1ncc(Br)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001206262847 1132843727 /nfs/dbraw/zinc/84/37/27/1132843727.db2.gz CWRCLDDVYROKFK-CQSZACIVSA-N 1 2 345.281 3.702 20 0 EHADLO COc1cc[nH+]cc1Nc1ccnn1-c1ccccc1Br ZINC001176118856 1132852409 /nfs/dbraw/zinc/85/24/09/1132852409.db2.gz LTPZRMXPTGFJRK-UHFFFAOYSA-N 1 2 345.200 3.782 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C)c(I)c1 ZINC001176122577 1132853580 /nfs/dbraw/zinc/85/35/80/1132853580.db2.gz BVXDBCHOEOMYHX-UHFFFAOYSA-N 1 2 340.164 3.747 20 0 EHADLO COCOc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC001176191817 1132861841 /nfs/dbraw/zinc/86/18/41/1132861841.db2.gz ZXCMWQBAGVBMIA-UHFFFAOYSA-N 1 2 327.359 3.797 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2)[nH+]c1C ZINC001176209936 1132874444 /nfs/dbraw/zinc/87/44/44/1132874444.db2.gz DBMWKNDKOIZBQF-UHFFFAOYSA-N 1 2 345.406 3.833 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ncn4ccc(C)cc34)cc2)[nH+]c1C ZINC001176220778 1132878552 /nfs/dbraw/zinc/87/85/52/1132878552.db2.gz VZMCMGHJDPQTOW-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000766868608 1132884046 /nfs/dbraw/zinc/88/40/46/1132884046.db2.gz GBMTUJHVMREOIH-UXBLZVDNSA-N 1 2 325.195 3.874 20 0 EHADLO CCC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@@H](C)C(=O)OCC ZINC001169933828 1132902024 /nfs/dbraw/zinc/90/20/24/1132902024.db2.gz SPQYAPKOIYJLLR-HNNXBMFYSA-N 1 2 345.439 3.573 20 0 EHADLO CCC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@@H](C)C(=O)OCC ZINC001169933828 1132902027 /nfs/dbraw/zinc/90/20/27/1132902027.db2.gz SPQYAPKOIYJLLR-HNNXBMFYSA-N 1 2 345.439 3.573 20 0 EHADLO Cc1cc(C)c(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c[nH+]1 ZINC001176403197 1132932160 /nfs/dbraw/zinc/93/21/60/1132932160.db2.gz BZMMCAGCVDACGP-UHFFFAOYSA-N 1 2 344.358 3.864 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1nc(C2CCCCC2)cs1 ZINC000767058853 1132937805 /nfs/dbraw/zinc/93/78/05/1132937805.db2.gz CSLKDGBVHRWPTO-UHFFFAOYSA-N 1 2 333.457 3.911 20 0 EHADLO Clc1ccc2[nH+]ccc(Nc3cnc(N4CCCCC4)nc3)c2c1 ZINC001176503510 1132951253 /nfs/dbraw/zinc/95/12/53/1132951253.db2.gz QLOVXQBMZSXXBX-UHFFFAOYSA-N 1 2 339.830 3.834 20 0 EHADLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccccc1Cl ZINC001176552716 1132964974 /nfs/dbraw/zinc/96/49/74/1132964974.db2.gz HPQYVKHCTVOJPE-UHFFFAOYSA-N 1 2 328.803 3.569 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000804349780 1132969093 /nfs/dbraw/zinc/96/90/93/1132969093.db2.gz JFTCHUWEPAOASC-KZNAEPCWSA-N 1 2 331.419 3.743 20 0 EHADLO C(=C\[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639321 1132975056 /nfs/dbraw/zinc/97/50/56/1132975056.db2.gz FWTKQWDIBVLLMW-ODLZTCLXSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C\[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639321 1132975061 /nfs/dbraw/zinc/97/50/61/1132975061.db2.gz FWTKQWDIBVLLMW-ODLZTCLXSA-N 1 2 330.435 3.945 20 0 EHADLO Cc1nccc(Br)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749750 1132991665 /nfs/dbraw/zinc/99/16/65/1132991665.db2.gz JECSUEWEAGLLDY-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CCOC(=O)N[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804353627 1132997613 /nfs/dbraw/zinc/99/76/13/1132997613.db2.gz MNRRDTQIHLHSFW-GFCCVEGCSA-N 1 2 333.819 3.603 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001176878981 1133006770 /nfs/dbraw/zinc/00/67/70/1133006770.db2.gz WHEPZSXJXKMRBC-UHFFFAOYSA-N 1 2 326.787 3.627 20 0 EHADLO Fc1cncc(Br)c1C[NH2+]Cc1ccc(Cl)s1 ZINC001177163106 1133036989 /nfs/dbraw/zinc/03/69/89/1133036989.db2.gz UUEPSVQTOMAKEW-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001177195220 1133037827 /nfs/dbraw/zinc/03/78/27/1133037827.db2.gz KWPBNSZLFHZRSV-UHFFFAOYSA-N 1 2 325.387 3.700 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000767683464 1133038225 /nfs/dbraw/zinc/03/82/25/1133038225.db2.gz FYDDSGJFHNQHRU-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000767691907 1133040440 /nfs/dbraw/zinc/04/04/40/1133040440.db2.gz NDNWXXJQABICHV-UHFFFAOYSA-N 1 2 342.390 3.621 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nccs2)c1)C1CCCCC1 ZINC001177554010 1133075208 /nfs/dbraw/zinc/07/52/08/1133075208.db2.gz JITWOODSRZNWCH-UHFFFAOYSA-N 1 2 329.469 3.952 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177623183 1133086983 /nfs/dbraw/zinc/08/69/83/1133086983.db2.gz XCWHVGKVHDNENC-KRWDZBQOSA-N 1 2 339.370 3.570 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177623183 1133086990 /nfs/dbraw/zinc/08/69/90/1133086990.db2.gz XCWHVGKVHDNENC-KRWDZBQOSA-N 1 2 339.370 3.570 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000768159860 1133102309 /nfs/dbraw/zinc/10/23/09/1133102309.db2.gz KOWYJYRWLLLKNB-CJNGLKHVSA-N 1 2 343.858 3.510 20 0 EHADLO CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000768158590 1133102689 /nfs/dbraw/zinc/10/26/89/1133102689.db2.gz ZCGPPPFJVVEOSZ-CRAIPNDOSA-N 1 2 325.456 3.953 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc1F ZINC000768200676 1133106841 /nfs/dbraw/zinc/10/68/41/1133106841.db2.gz OIYYWEDBEQKEBB-INIZCTEOSA-N 1 2 336.432 3.774 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc1F ZINC000768200676 1133106847 /nfs/dbraw/zinc/10/68/47/1133106847.db2.gz OIYYWEDBEQKEBB-INIZCTEOSA-N 1 2 336.432 3.774 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1occc1Br ZINC000768213973 1133113506 /nfs/dbraw/zinc/11/35/06/1133113506.db2.gz XKIPNUODUMKBKD-UHFFFAOYSA-N 1 2 328.181 3.692 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1occc1Br ZINC000768213973 1133113511 /nfs/dbraw/zinc/11/35/11/1133113511.db2.gz XKIPNUODUMKBKD-UHFFFAOYSA-N 1 2 328.181 3.692 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](CCO)C1CC1 ZINC000768329885 1133125659 /nfs/dbraw/zinc/12/56/59/1133125659.db2.gz JMEUFHCSURRTDF-UHFFFAOYSA-N 1 2 333.863 3.606 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000768329885 1133125661 /nfs/dbraw/zinc/12/56/61/1133125661.db2.gz JMEUFHCSURRTDF-UHFFFAOYSA-N 1 2 333.863 3.606 20 0 EHADLO CCOC(=O)C[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CCC1 ZINC000768530541 1133151576 /nfs/dbraw/zinc/15/15/76/1133151576.db2.gz KBYLBZNHVIJADT-UHFFFAOYSA-N 1 2 347.484 3.534 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CCC1 ZINC000768530541 1133151580 /nfs/dbraw/zinc/15/15/80/1133151580.db2.gz KBYLBZNHVIJADT-UHFFFAOYSA-N 1 2 347.484 3.534 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C(F)F)C1 ZINC000768707777 1133170957 /nfs/dbraw/zinc/17/09/57/1133170957.db2.gz JYGQWDCQLBGKEO-NRXISQOPSA-N 1 2 325.399 3.573 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)C2(c3ccc(F)cc3F)CCCC2)[nH+]1 ZINC001179092578 1133228265 /nfs/dbraw/zinc/22/82/65/1133228265.db2.gz QQJRSSZYCWQZNZ-UHFFFAOYSA-N 1 2 347.409 3.940 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)C2(c3ccc(F)cc3F)CCCC2)c[nH+]1 ZINC001179092578 1133228271 /nfs/dbraw/zinc/22/82/71/1133228271.db2.gz QQJRSSZYCWQZNZ-UHFFFAOYSA-N 1 2 347.409 3.940 20 0 EHADLO O=C1C[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CCCN1 ZINC000769114366 1133228647 /nfs/dbraw/zinc/22/86/47/1133228647.db2.gz KTISVYBSXPNSSH-UHFFFAOYSA-N 1 2 339.222 3.575 20 0 EHADLO O=C1C[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CCCN1 ZINC000769114366 1133228654 /nfs/dbraw/zinc/22/86/54/1133228654.db2.gz KTISVYBSXPNSSH-UHFFFAOYSA-N 1 2 339.222 3.575 20 0 EHADLO Cn1c(Cl)cnc1C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000769228168 1133247352 /nfs/dbraw/zinc/24/73/52/1133247352.db2.gz LNJPYPLKCPDLPX-UHFFFAOYSA-N 1 2 339.817 3.806 20 0 EHADLO Clc1cnccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001179484165 1133253882 /nfs/dbraw/zinc/25/38/82/1133253882.db2.gz DYLMSMRICALBOZ-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO Clc1cnccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001179484165 1133253888 /nfs/dbraw/zinc/25/38/88/1133253888.db2.gz DYLMSMRICALBOZ-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cncc2ccccc21 ZINC000769317935 1133260755 /nfs/dbraw/zinc/26/07/55/1133260755.db2.gz BIFXESPIOYMCAB-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cncc2ccccc21 ZINC000769317935 1133260760 /nfs/dbraw/zinc/26/07/60/1133260760.db2.gz BIFXESPIOYMCAB-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000769338676 1133267008 /nfs/dbraw/zinc/26/70/08/1133267008.db2.gz NDSAJUIYVWCZSV-NSHDSACASA-N 1 2 328.218 3.856 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000769338676 1133267012 /nfs/dbraw/zinc/26/70/12/1133267012.db2.gz NDSAJUIYVWCZSV-NSHDSACASA-N 1 2 328.218 3.856 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000769388793 1133273969 /nfs/dbraw/zinc/27/39/69/1133273969.db2.gz HTIHRFCEOSLJEP-UHFFFAOYSA-N 1 2 347.455 3.609 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000769456616 1133294397 /nfs/dbraw/zinc/29/43/97/1133294397.db2.gz OJVZEZBEDDMUGK-CYBMUJFWSA-N 1 2 342.277 3.706 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCOC[C@H](C)C1 ZINC000769456616 1133294402 /nfs/dbraw/zinc/29/44/02/1133294402.db2.gz OJVZEZBEDDMUGK-CYBMUJFWSA-N 1 2 342.277 3.706 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769537177 1133310719 /nfs/dbraw/zinc/31/07/19/1133310719.db2.gz IKBYSBNAZQJANS-HXUWFJFHSA-N 1 2 339.435 3.843 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769537177 1133310725 /nfs/dbraw/zinc/31/07/25/1133310725.db2.gz IKBYSBNAZQJANS-HXUWFJFHSA-N 1 2 339.435 3.843 20 0 EHADLO c1cc(C[N@H+](Cc2ccccc2)Cc2cccc3c2NCCC3)n[nH]1 ZINC001179997709 1133311444 /nfs/dbraw/zinc/31/14/44/1133311444.db2.gz UFFDETPYIFRODP-UHFFFAOYSA-N 1 2 332.451 3.970 20 0 EHADLO c1cc(C[N@@H+](Cc2ccccc2)Cc2cccc3c2NCCC3)n[nH]1 ZINC001179997709 1133311450 /nfs/dbraw/zinc/31/14/50/1133311450.db2.gz UFFDETPYIFRODP-UHFFFAOYSA-N 1 2 332.451 3.970 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000769769070 1133339242 /nfs/dbraw/zinc/33/92/42/1133339242.db2.gz GJGYBBMVXIQPFI-FQQSSWHASA-N 1 2 337.467 3.765 20 0 EHADLO CCn1nc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000769913310 1133358954 /nfs/dbraw/zinc/35/89/54/1133358954.db2.gz AJOUMJCVGDTKPG-UHFFFAOYSA-N 1 2 349.463 3.865 20 0 EHADLO Clc1cnc(C[NH2+]Cc2ccnn2CCc2ccccc2)s1 ZINC000769916896 1133359851 /nfs/dbraw/zinc/35/98/51/1133359851.db2.gz JWKWUOFYQJHNIU-UHFFFAOYSA-N 1 2 332.860 3.526 20 0 EHADLO CCO[C@H]1C[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C12CCCCC2 ZINC000770433626 1133429410 /nfs/dbraw/zinc/42/94/10/1133429410.db2.gz VGKUPQQZVHHZIY-IRXDYDNUSA-N 1 2 341.455 3.534 20 0 EHADLO CCn1nc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c2ccccc21 ZINC000770613011 1133453216 /nfs/dbraw/zinc/45/32/16/1133453216.db2.gz SGRMKFQRTRXQGB-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCn1nc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c2ccccc21 ZINC000770613011 1133453219 /nfs/dbraw/zinc/45/32/19/1133453219.db2.gz SGRMKFQRTRXQGB-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCCN1CC[N@H+](Cc2cc3cccc(CC)c3o2)C(C)(C)C1=O ZINC001181073626 1133453539 /nfs/dbraw/zinc/45/35/39/1133453539.db2.gz ODQSCTQDNFPTMA-UHFFFAOYSA-N 1 2 328.456 3.828 20 0 EHADLO CCCN1CC[N@@H+](Cc2cc3cccc(CC)c3o2)C(C)(C)C1=O ZINC001181073626 1133453543 /nfs/dbraw/zinc/45/35/43/1133453543.db2.gz ODQSCTQDNFPTMA-UHFFFAOYSA-N 1 2 328.456 3.828 20 0 EHADLO Nc1cc(CC(=O)Nc2ccc3[nH]c(-c4ccccc4)cc3c2)cc[nH+]1 ZINC001181262863 1133474294 /nfs/dbraw/zinc/47/42/94/1133474294.db2.gz BNHMIPLYCUYNOQ-UHFFFAOYSA-N 1 2 342.402 3.993 20 0 EHADLO COc1ccc(CCC(=O)OCc2cccc3[nH+]ccn32)cc1Cl ZINC000770919850 1133483656 /nfs/dbraw/zinc/48/36/56/1133483656.db2.gz FKIAMBRUYATUJV-UHFFFAOYSA-N 1 2 344.798 3.672 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)OCc1cccc2[nH+]ccn21 ZINC000770925753 1133485440 /nfs/dbraw/zinc/48/54/40/1133485440.db2.gz ORSFNHJBMPTLIZ-UHFFFAOYSA-N 1 2 346.839 3.964 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)OCc3cccc4[nH+]ccn43)c2c1 ZINC000770926058 1133485468 /nfs/dbraw/zinc/48/54/68/1133485468.db2.gz DNJNMDMMWFPKLS-UHFFFAOYSA-N 1 2 333.391 3.800 20 0 EHADLO O=C(CCSc1ccccc1F)OCc1cccc2[nH+]ccn21 ZINC000770925572 1133485480 /nfs/dbraw/zinc/48/54/80/1133485480.db2.gz MMWNWUQXPBRTPT-UHFFFAOYSA-N 1 2 330.384 3.699 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000770926148 1133485861 /nfs/dbraw/zinc/48/58/61/1133485861.db2.gz QAMFAAUHWMZJPV-VXGBXAGGSA-N 1 2 326.318 3.746 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181447151 1133488847 /nfs/dbraw/zinc/48/88/47/1133488847.db2.gz VLQYYWTVQLKQSS-WOJBJXKFSA-N 1 2 331.419 3.634 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1cccc2[nH]ccc21 ZINC001181722381 1133515844 /nfs/dbraw/zinc/51/58/44/1133515844.db2.gz ICKPHUKYXFYUFK-UHFFFAOYSA-N 1 2 344.418 3.555 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC001181760253 1133522799 /nfs/dbraw/zinc/52/27/99/1133522799.db2.gz NLVMOJOBIPELDH-HXUWFJFHSA-N 1 2 331.419 3.561 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC001181808846 1133531180 /nfs/dbraw/zinc/53/11/80/1133531180.db2.gz QOQJXANMJQEIQA-STQMWFEESA-N 1 2 330.419 3.553 20 0 EHADLO CC(C)Cc1ccc(CC(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001181822989 1133535861 /nfs/dbraw/zinc/53/58/61/1133535861.db2.gz JCCTXUXMXVSOPP-UHFFFAOYSA-N 1 2 325.456 3.666 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181831295 1133538436 /nfs/dbraw/zinc/53/84/36/1133538436.db2.gz LEJXRGKOCGBYAW-OAQYLSRUSA-N 1 2 346.430 3.603 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3n[nH]c(C)c3-c3cccc(F)c3)ccn12 ZINC001181940704 1133554348 /nfs/dbraw/zinc/55/43/48/1133554348.db2.gz FWYMOUSDCMJLFF-UHFFFAOYSA-N 1 2 349.369 3.733 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(SC)cc(C)nc1SC ZINC001181992752 1133559568 /nfs/dbraw/zinc/55/95/68/1133559568.db2.gz ADFGUPQQBYPGIR-LBPRGKRZSA-N 1 2 339.530 3.647 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1c(SC)cc(C)nc1SC ZINC001181992752 1133559571 /nfs/dbraw/zinc/55/95/71/1133559571.db2.gz ADFGUPQQBYPGIR-LBPRGKRZSA-N 1 2 339.530 3.647 20 0 EHADLO C[N@H+](CC(=O)Oc1cccc(Oc2ccccc2)c1)[C@H]1CCSC1 ZINC000773961027 1133561840 /nfs/dbraw/zinc/56/18/40/1133561840.db2.gz VLUVJFPSIXSSMT-HNNXBMFYSA-N 1 2 343.448 3.822 20 0 EHADLO C[N@@H+](CC(=O)Oc1cccc(Oc2ccccc2)c1)[C@H]1CCSC1 ZINC000773961027 1133561844 /nfs/dbraw/zinc/56/18/44/1133561844.db2.gz VLUVJFPSIXSSMT-HNNXBMFYSA-N 1 2 343.448 3.822 20 0 EHADLO CN(C)c1ccc(NC[C@@H](O)c2c(Cl)cccc2Cl)[nH+]c1 ZINC001170035370 1133611477 /nfs/dbraw/zinc/61/14/77/1133611477.db2.gz ZWMVMFIJQWRSEJ-CYBMUJFWSA-N 1 2 326.227 3.600 20 0 EHADLO CC[C@H](C(=O)OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000771991720 1133624833 /nfs/dbraw/zinc/62/48/33/1133624833.db2.gz BTHJCLZIQVCUCC-AWEZNQCLSA-N 1 2 326.318 3.639 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000771992656 1133625048 /nfs/dbraw/zinc/62/50/48/1133625048.db2.gz HCHFSISDFKDFCJ-UHFFFAOYSA-N 1 2 339.222 3.855 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@H](CC)O1 ZINC001182461675 1133680146 /nfs/dbraw/zinc/68/01/46/1133680146.db2.gz KQCNMFJABKVVGM-BGYRXZFFSA-N 1 2 327.472 3.515 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccnn2CCc2ccccc2)C[C@H](CC)O1 ZINC001182461675 1133680150 /nfs/dbraw/zinc/68/01/50/1133680150.db2.gz KQCNMFJABKVVGM-BGYRXZFFSA-N 1 2 327.472 3.515 20 0 EHADLO Cc1cc(CC(=O)Nc2cccc3[nH+]ccn32)cc(C(F)(F)F)c1 ZINC001182672297 1133713446 /nfs/dbraw/zinc/71/34/46/1133713446.db2.gz MKBIZTLMGOONMG-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO Cn1nccc1[C@H]1COCC[N@@H+]1CC1CCC2(CCCCC2)CC1 ZINC001182646151 1133714906 /nfs/dbraw/zinc/71/49/06/1133714906.db2.gz XEBKKHWBTZHDDJ-LJQANCHMSA-N 1 2 331.504 3.934 20 0 EHADLO Cn1nccc1[C@H]1COCC[N@H+]1CC1CCC2(CCCCC2)CC1 ZINC001182646151 1133714908 /nfs/dbraw/zinc/71/49/08/1133714908.db2.gz XEBKKHWBTZHDDJ-LJQANCHMSA-N 1 2 331.504 3.934 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)C(=O)O1 ZINC000785506550 1133715248 /nfs/dbraw/zinc/71/52/48/1133715248.db2.gz YXXBYOSDHLXSJQ-QZTJIDSGSA-N 1 2 346.471 3.665 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)C(=O)O1 ZINC000785506550 1133715252 /nfs/dbraw/zinc/71/52/52/1133715252.db2.gz YXXBYOSDHLXSJQ-QZTJIDSGSA-N 1 2 346.471 3.665 20 0 EHADLO CCCn1c[nH+]cc1CN1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001182773741 1133732795 /nfs/dbraw/zinc/73/27/95/1133732795.db2.gz UXZCJYIRJGQMOW-UHFFFAOYSA-N 1 2 340.254 3.863 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(Cc3cccc(F)c3)no2)Cc2ccccc21 ZINC000785632197 1133735034 /nfs/dbraw/zinc/73/50/34/1133735034.db2.gz PLXRNEAYYDXXFT-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)Cc2ccccc21 ZINC000785632197 1133735038 /nfs/dbraw/zinc/73/50/38/1133735038.db2.gz PLXRNEAYYDXXFT-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO CC(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)=C1CCCC1 ZINC000785717906 1133747195 /nfs/dbraw/zinc/74/71/95/1133747195.db2.gz IDMSSZAOZQECPI-UHFFFAOYSA-N 1 2 332.875 3.705 20 0 EHADLO CC(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)=C1CCCC1 ZINC000785717906 1133747200 /nfs/dbraw/zinc/74/72/00/1133747200.db2.gz IDMSSZAOZQECPI-UHFFFAOYSA-N 1 2 332.875 3.705 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000785836833 1133759387 /nfs/dbraw/zinc/75/93/87/1133759387.db2.gz IODCOZSKRZZASG-UHFFFAOYSA-N 1 2 327.819 3.799 20 0 EHADLO Cc1cc(F)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001183028959 1133759352 /nfs/dbraw/zinc/75/93/52/1133759352.db2.gz GEZYSNUIBLCUAY-CYBMUJFWSA-N 1 2 341.361 3.950 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C(F)(F)C3(O)CCCC3)c2)[nH+]c1C ZINC000785942881 1133780855 /nfs/dbraw/zinc/78/08/55/1133780855.db2.gz PWMCLWAWPMKYEN-UHFFFAOYSA-N 1 2 349.381 3.572 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)[nH]1 ZINC001183409559 1133799756 /nfs/dbraw/zinc/79/97/56/1133799756.db2.gz NERZNBWPUKBJMX-IBGZPJMESA-N 1 2 330.403 3.652 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)[nH]1 ZINC001183409559 1133799760 /nfs/dbraw/zinc/79/97/60/1133799760.db2.gz NERZNBWPUKBJMX-IBGZPJMESA-N 1 2 330.403 3.652 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001183758251 1133848689 /nfs/dbraw/zinc/84/86/89/1133848689.db2.gz RVDQQRXUPHUCQX-RTBURBONSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001183758251 1133848698 /nfs/dbraw/zinc/84/86/98/1133848698.db2.gz RVDQQRXUPHUCQX-RTBURBONSA-N 1 2 344.405 3.807 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C(C)(C)c1ccc(O)cc1 ZINC001183778118 1133850866 /nfs/dbraw/zinc/85/08/66/1133850866.db2.gz SJQCDTKSQNMWHB-UHFFFAOYSA-N 1 2 349.434 3.514 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752956 1133854746 /nfs/dbraw/zinc/85/47/46/1133854746.db2.gz PTXVPCWEOMHAIF-MRXNPFEDSA-N 1 2 341.798 3.694 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752956 1133854753 /nfs/dbraw/zinc/85/47/53/1133854753.db2.gz PTXVPCWEOMHAIF-MRXNPFEDSA-N 1 2 341.798 3.694 20 0 EHADLO CC(C)[C@@H](Nc1[nH+]cnc2[nH]cc([S@@](C)=O)c21)c1ccc(F)cc1 ZINC001170060851 1133880173 /nfs/dbraw/zinc/88/01/73/1133880173.db2.gz VQKBOBPLDDASAG-OYLFLEFRSA-N 1 2 346.431 3.644 20 0 EHADLO CSCc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000746594541 1133881475 /nfs/dbraw/zinc/88/14/75/1133881475.db2.gz PLECXSUNHTVYOR-INIZCTEOSA-N 1 2 349.475 3.730 20 0 EHADLO C[C@@H]([NH2+]C1CC(Sc2ccccc2)C1)c1nc(C(F)(F)F)n[nH]1 ZINC001184001946 1133887567 /nfs/dbraw/zinc/88/75/67/1133887567.db2.gz IPSFXZWSNKKKQE-GRZMOONWSA-N 1 2 342.390 3.797 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc(F)c(Cl)c2)cc1OC ZINC000786742012 1133893845 /nfs/dbraw/zinc/89/38/45/1133893845.db2.gz HUCWYGFEDUSYHC-UHFFFAOYSA-N 1 2 338.766 3.543 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001184179530 1133901694 /nfs/dbraw/zinc/90/16/94/1133901694.db2.gz VHEFXBWDYRIHPS-BETUJISGSA-N 1 2 349.466 3.799 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001184179530 1133901698 /nfs/dbraw/zinc/90/16/98/1133901698.db2.gz VHEFXBWDYRIHPS-BETUJISGSA-N 1 2 349.466 3.799 20 0 EHADLO CCCCC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000786881310 1133923591 /nfs/dbraw/zinc/92/35/91/1133923591.db2.gz DFOCMKVVUVZTKR-MSOLQXFVSA-N 1 2 325.456 3.883 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC001184504479 1133953476 /nfs/dbraw/zinc/95/34/76/1133953476.db2.gz HLBGJJMYZDPJOH-KBPBESRZSA-N 1 2 342.443 3.603 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000746654304 1133963183 /nfs/dbraw/zinc/96/31/83/1133963183.db2.gz YRCILLOFCODFAQ-INIZCTEOSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000746654304 1133963186 /nfs/dbraw/zinc/96/31/86/1133963186.db2.gz YRCILLOFCODFAQ-INIZCTEOSA-N 1 2 329.444 3.885 20 0 EHADLO Cc1cc(Br)ccc1NC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184790684 1133990916 /nfs/dbraw/zinc/99/09/16/1133990916.db2.gz AISSQPCCBZAKND-UHFFFAOYSA-N 1 2 346.228 3.707 20 0 EHADLO Cc1nc(NCCO[C@@H]2CCCC[C@H]2C)c(Br)c(C)[nH+]1 ZINC001184874154 1134001523 /nfs/dbraw/zinc/00/15/23/1134001523.db2.gz LAHIVIARRGARKY-ZWNOBZJWSA-N 1 2 342.281 3.863 20 0 EHADLO COC(=O)c1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC001184968562 1134009243 /nfs/dbraw/zinc/00/92/43/1134009243.db2.gz PZXCXFQJOUTHHU-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO C[C@H](Cc1ccccc1)c1cc(C(=O)Nc2cccc3[nH+]ccn32)n[nH]1 ZINC001184968364 1134009637 /nfs/dbraw/zinc/00/96/37/1134009637.db2.gz OMNOCOGTZWFJCP-CQSZACIVSA-N 1 2 345.406 3.656 20 0 EHADLO Cc1cccc(C2(CC(=O)Nc3cccc4[nH+]ccn43)CCOCC2)c1 ZINC001185056487 1134019570 /nfs/dbraw/zinc/01/95/70/1134019570.db2.gz ZYTVVEYPIAIHOG-UHFFFAOYSA-N 1 2 349.434 3.720 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc(Cl)o1 ZINC000788239750 1134098403 /nfs/dbraw/zinc/09/84/03/1134098403.db2.gz MCVRCFXFGPEUQZ-GFCCVEGCSA-N 1 2 347.846 3.991 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc(Cl)o1 ZINC000788239750 1134098410 /nfs/dbraw/zinc/09/84/10/1134098410.db2.gz MCVRCFXFGPEUQZ-GFCCVEGCSA-N 1 2 347.846 3.991 20 0 EHADLO Cc1nscc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788249705 1134100574 /nfs/dbraw/zinc/10/05/74/1134100574.db2.gz VYNQQFNHKVHMOH-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1nscc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788249705 1134100577 /nfs/dbraw/zinc/10/05/77/1134100577.db2.gz VYNQQFNHKVHMOH-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO S=C(Nc1ccsc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788336581 1134110621 /nfs/dbraw/zinc/11/06/21/1134110621.db2.gz GRPDZGZQWJCJOO-UHFFFAOYSA-N 1 2 346.525 3.857 20 0 EHADLO Cn1ccc2cccc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c21 ZINC000788311023 1134113100 /nfs/dbraw/zinc/11/31/00/1134113100.db2.gz MJWJHAOEJBBYPL-MRXNPFEDSA-N 1 2 339.443 3.611 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788560032 1134142548 /nfs/dbraw/zinc/14/25/48/1134142548.db2.gz AOROCKSKQRBECP-QGZVFWFLSA-N 1 2 347.842 3.726 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788532621 1134144977 /nfs/dbraw/zinc/14/49/77/1134144977.db2.gz RKBUGAXXUQUDME-UHFFFAOYSA-N 1 2 340.588 3.948 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(C(C)C)o2)cc(OC)c1OC ZINC000774956951 1134151430 /nfs/dbraw/zinc/15/14/30/1134151430.db2.gz BBLSKFCNRZFERK-LBPRGKRZSA-N 1 2 334.416 3.675 20 0 EHADLO OC1(c2ccc(F)cc2)C[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000788830273 1134177876 /nfs/dbraw/zinc/17/78/76/1134177876.db2.gz BZCLJYJJWAFTLA-UHFFFAOYSA-N 1 2 334.394 3.591 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000788832006 1134179091 /nfs/dbraw/zinc/17/90/91/1134179091.db2.gz DQJGWXZLQKQIKV-GPZRYRNASA-N 1 2 342.826 3.818 20 0 EHADLO Nc1ccc(CCC(=O)OCCc2cccc(Cl)c2Cl)c[nH+]1 ZINC000788970553 1134197236 /nfs/dbraw/zinc/19/72/36/1134197236.db2.gz NIFFRKKKHQQLKF-UHFFFAOYSA-N 1 2 339.222 3.689 20 0 EHADLO Cc1cc(NC[C@H](OC2CCCC2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001186973480 1134279683 /nfs/dbraw/zinc/27/96/83/1134279683.db2.gz KELBFEZJGSTTHQ-ZDUSSCGKSA-N 1 2 329.366 3.964 20 0 EHADLO Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000789493089 1134283170 /nfs/dbraw/zinc/28/31/70/1134283170.db2.gz DQCULTZORUHVHZ-SFHVURJKSA-N 1 2 334.375 3.861 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)C1 ZINC000789527499 1134290727 /nfs/dbraw/zinc/29/07/27/1134290727.db2.gz KMJDGSVXMCBBOI-AWEZNQCLSA-N 1 2 334.426 3.893 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)c1[nH+]cnc2c1cnn2C ZINC001187141488 1134303099 /nfs/dbraw/zinc/30/30/99/1134303099.db2.gz TZGPMCMFHROAAE-UHFFFAOYSA-N 1 2 329.835 3.679 20 0 EHADLO Cc1ccc2cc(NCc3ccnc(-c4cnn(C)c4)c3)[nH+]cc2c1 ZINC001170115223 1134318148 /nfs/dbraw/zinc/31/81/48/1134318148.db2.gz GCGKKCFXBRZUPE-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO Cc1nc(-c2ccccc2)sc1C(=O)OCCCc1[nH+]ccn1C ZINC000789791185 1134334694 /nfs/dbraw/zinc/33/46/94/1134334694.db2.gz FKBKKVUXYUVGBJ-UHFFFAOYSA-N 1 2 341.436 3.642 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000075681087 1134389598 /nfs/dbraw/zinc/38/95/98/1134389598.db2.gz VZMULGOAMFMMRH-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000075681087 1134389605 /nfs/dbraw/zinc/38/96/05/1134389605.db2.gz VZMULGOAMFMMRH-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCSCC[C@H]2C)C1 ZINC000790480448 1134423163 /nfs/dbraw/zinc/42/31/63/1134423163.db2.gz LFKNSORZNBPORV-ZIAGYGMSSA-N 1 2 340.558 3.600 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCSCC[C@H]2C)C1 ZINC000790480448 1134423168 /nfs/dbraw/zinc/42/31/68/1134423168.db2.gz LFKNSORZNBPORV-ZIAGYGMSSA-N 1 2 340.558 3.600 20 0 EHADLO CSc1ccc(NC(=O)NCc2c[nH+]c3ccc(F)cn23)cc1 ZINC001188134744 1134431158 /nfs/dbraw/zinc/43/11/58/1134431158.db2.gz KSHDCNJWCOFPSP-UHFFFAOYSA-N 1 2 330.388 3.517 20 0 EHADLO OC1(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCCC1 ZINC000790592870 1134440173 /nfs/dbraw/zinc/44/01/73/1134440173.db2.gz XLGXKMMRQMGCPS-UHFFFAOYSA-N 1 2 326.440 3.960 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(Br)o1)CCC2 ZINC000790990385 1134489717 /nfs/dbraw/zinc/48/97/17/1134489717.db2.gz NGJPLRRDWSURFV-CYBMUJFWSA-N 1 2 338.249 3.987 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1c[nH]c2ccccc12 ZINC000791267039 1134523538 /nfs/dbraw/zinc/52/35/38/1134523538.db2.gz RSFDTIOJNGYVMZ-UHFFFAOYSA-N 1 2 345.402 3.948 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCSC(F)(F)F ZINC000791331421 1134532844 /nfs/dbraw/zinc/53/28/44/1134532844.db2.gz AVPLBUYVNQKJBI-UHFFFAOYSA-N 1 2 344.358 3.867 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccnc(Cl)c1 ZINC000791311167 1134535255 /nfs/dbraw/zinc/53/52/55/1134535255.db2.gz OHXBYTNXWFMCDN-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC001189111684 1134540909 /nfs/dbraw/zinc/54/09/09/1134540909.db2.gz RFGNYZXIPLTCHP-UHFFFAOYSA-N 1 2 344.724 3.603 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C/c1cccc(O)c1 ZINC000791405243 1134546417 /nfs/dbraw/zinc/54/64/17/1134546417.db2.gz LZVCTDJWGMHWDJ-VMPITWQZSA-N 1 2 334.375 3.643 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)Cc1ccccc1 ZINC000791449451 1134553775 /nfs/dbraw/zinc/55/37/75/1134553775.db2.gz BAWXBRRYEPAZQW-KRWDZBQOSA-N 1 2 349.521 3.672 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)Cc1ccccc1 ZINC000791449451 1134553782 /nfs/dbraw/zinc/55/37/82/1134553782.db2.gz BAWXBRRYEPAZQW-KRWDZBQOSA-N 1 2 349.521 3.672 20 0 EHADLO Cc1cc(C(=O)N(C(N)=[NH2+])c2ccccc2F)c(-n2cccc2)s1 ZINC001189312735 1134569612 /nfs/dbraw/zinc/56/96/12/1134569612.db2.gz SHVOXTZVZQFFPZ-UHFFFAOYSA-N 1 2 342.399 3.527 20 0 EHADLO Nc1cc(COC(=O)COC(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000791602506 1134582148 /nfs/dbraw/zinc/58/21/48/1134582148.db2.gz HWSFHZPTCQWQGJ-UHFFFAOYSA-N 1 2 348.402 3.513 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2[nH+]ccn21 ZINC000791680834 1134589691 /nfs/dbraw/zinc/58/96/91/1134589691.db2.gz RSDLKJFXZMUWPO-CQSZACIVSA-N 1 2 337.276 3.507 20 0 EHADLO Nc1cc(COC(=O)c2cc3cc(Br)ccc3o2)cc[nH+]1 ZINC000791713780 1134593955 /nfs/dbraw/zinc/59/39/55/1134593955.db2.gz SLQXGSIISYQINK-UHFFFAOYSA-N 1 2 347.168 3.530 20 0 EHADLO COc1cccc(-c2nnc(SCc3cc(OC)cc(C)[nH+]3)o2)c1 ZINC001189875871 1134632747 /nfs/dbraw/zinc/63/27/47/1134632747.db2.gz HSRJLJGHDFAAMN-UHFFFAOYSA-N 1 2 343.408 3.750 20 0 EHADLO Nc1cc(COC(=O)c2ccc(C(F)(F)F)cc2Cl)cc[nH+]1 ZINC000792088129 1134653296 /nfs/dbraw/zinc/65/32/96/1134653296.db2.gz DIAOOYFUBDQGEU-UHFFFAOYSA-N 1 2 330.693 3.693 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-n1cc[nH+]c1 ZINC001190105752 1134656981 /nfs/dbraw/zinc/65/69/81/1134656981.db2.gz AHVAMONLXGWAEQ-INIZCTEOSA-N 1 2 345.324 3.906 20 0 EHADLO CC(C)(c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1)C(F)(F)F ZINC000792184040 1134665091 /nfs/dbraw/zinc/66/50/91/1134665091.db2.gz KAWUMGMXEZLJRY-UHFFFAOYSA-N 1 2 338.329 3.861 20 0 EHADLO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775366299 1134670841 /nfs/dbraw/zinc/67/08/41/1134670841.db2.gz XSRZTZVOFVJJQC-LWMMSDEHSA-N 1 2 347.261 3.756 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)Nc1ccc([NH+](C)C)c(C)c1 ZINC001170173296 1134695731 /nfs/dbraw/zinc/69/57/31/1134695731.db2.gz PBVRJGXBEGMDFV-SFHVURJKSA-N 1 2 326.440 3.647 20 0 EHADLO CCN(C)c1cc(NCc2nc(-c3ccccc3)cs2)[nH+]cn1 ZINC001170242599 1134720727 /nfs/dbraw/zinc/72/07/27/1134720727.db2.gz GVYCZFOZPVJMRG-UHFFFAOYSA-N 1 2 325.441 3.668 20 0 EHADLO CCN(C)c1cc(NCc2nc(-c3ccccc3)cs2)nc[nH+]1 ZINC001170242599 1134720731 /nfs/dbraw/zinc/72/07/31/1134720731.db2.gz GVYCZFOZPVJMRG-UHFFFAOYSA-N 1 2 325.441 3.668 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)Nc1ccccc1OC(F)(F)F ZINC001190657398 1134733702 /nfs/dbraw/zinc/73/37/02/1134733702.db2.gz MSLFTTATFJBJGW-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)on1 ZINC001191031553 1134781341 /nfs/dbraw/zinc/78/13/41/1134781341.db2.gz XFASAIKLKXVGCX-DYVFJYSZSA-N 1 2 346.452 3.530 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)on1 ZINC001191031553 1134781345 /nfs/dbraw/zinc/78/13/45/1134781345.db2.gz XFASAIKLKXVGCX-DYVFJYSZSA-N 1 2 346.452 3.530 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000792838149 1134803886 /nfs/dbraw/zinc/80/38/86/1134803886.db2.gz CJOUGCDZFKXKEN-GHTZIAJQSA-N 1 2 343.442 3.713 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000792838149 1134803894 /nfs/dbraw/zinc/80/38/94/1134803894.db2.gz CJOUGCDZFKXKEN-GHTZIAJQSA-N 1 2 343.442 3.713 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)o1 ZINC001191208372 1134816080 /nfs/dbraw/zinc/81/60/80/1134816080.db2.gz UDPTUCTVWFRYJA-UHFFFAOYSA-N 1 2 335.407 3.998 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)o1 ZINC001191208372 1134816085 /nfs/dbraw/zinc/81/60/85/1134816085.db2.gz UDPTUCTVWFRYJA-UHFFFAOYSA-N 1 2 335.407 3.998 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191359990 1134857403 /nfs/dbraw/zinc/85/74/03/1134857403.db2.gz HIZPMQVOPRPTKG-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)cc1Cl ZINC000793166872 1134858755 /nfs/dbraw/zinc/85/87/55/1134858755.db2.gz JGMANUGEKUREGB-INIZCTEOSA-N 1 2 333.863 3.998 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](F)CC1CCCCC1 ZINC000793186567 1134870957 /nfs/dbraw/zinc/87/09/57/1134870957.db2.gz VFDDSHGRBDBVGY-KRWDZBQOSA-N 1 2 347.409 3.936 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1sccc1-c1ccc(F)cc1 ZINC000793251720 1134888958 /nfs/dbraw/zinc/88/89/58/1134888958.db2.gz VDQQYMMPCRBYNV-UHFFFAOYSA-N 1 2 330.384 3.687 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCCCc1nccs1)c1ccccc1 ZINC000793360524 1134909202 /nfs/dbraw/zinc/90/92/02/1134909202.db2.gz YEPPOBNVVMDVOS-KRWDZBQOSA-N 1 2 332.469 3.702 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCCCc1nccs1)c1ccccc1 ZINC000793360524 1134909214 /nfs/dbraw/zinc/90/92/14/1134909214.db2.gz YEPPOBNVVMDVOS-KRWDZBQOSA-N 1 2 332.469 3.702 20 0 EHADLO CCSc1nn(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(=S)s1 ZINC000793549405 1134954822 /nfs/dbraw/zinc/95/48/22/1134954822.db2.gz ZVLWQBROUFSHQG-KCJUWKMLSA-N 1 2 337.486 3.721 20 0 EHADLO CCSc1nn(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(=S)s1 ZINC000793549405 1134954828 /nfs/dbraw/zinc/95/48/28/1134954828.db2.gz ZVLWQBROUFSHQG-KCJUWKMLSA-N 1 2 337.486 3.721 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)cc1 ZINC000793592479 1134964347 /nfs/dbraw/zinc/96/43/47/1134964347.db2.gz RDDPGFNOBZLIBJ-UHFFFAOYSA-N 1 2 338.499 3.659 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000794023241 1135015473 /nfs/dbraw/zinc/01/54/73/1135015473.db2.gz CZVIXLFSPNPKMD-UHFFFAOYSA-N 1 2 337.810 3.917 20 0 EHADLO COc1cccc([C@H](C)NC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001192844826 1135064189 /nfs/dbraw/zinc/06/41/89/1135064189.db2.gz LTJMBYWGEXSEOG-AWEZNQCLSA-N 1 2 336.395 3.764 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1noc(Cc2ccccc2)n1 ZINC001193155583 1135110319 /nfs/dbraw/zinc/11/03/19/1135110319.db2.gz XWQYOAGEFBIASL-GDBMZVCRSA-N 1 2 329.444 3.659 20 0 EHADLO C[C@H]([NH2+]Cc1ccc([Si](C)(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC001193154139 1135110381 /nfs/dbraw/zinc/11/03/81/1135110381.db2.gz IBFAGJQPLGUGIH-ZDUSSCGKSA-N 1 2 331.536 3.763 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc([Si](C)(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC001193154138 1135110430 /nfs/dbraw/zinc/11/04/30/1135110430.db2.gz IBFAGJQPLGUGIH-CYBMUJFWSA-N 1 2 331.536 3.763 20 0 EHADLO CCCCNc1cc(N[C@@H]2CCCc3nc(C)sc32)nc(N)[nH+]1 ZINC000804603974 1135135393 /nfs/dbraw/zinc/13/53/93/1135135393.db2.gz ZJYRRIVKJORLTH-GFCCVEGCSA-N 1 2 332.477 3.525 20 0 EHADLO CCCCNc1cc(N[C@@H]2CCCc3nc(C)sc32)[nH+]c(N)n1 ZINC000804603974 1135135395 /nfs/dbraw/zinc/13/53/95/1135135395.db2.gz ZJYRRIVKJORLTH-GFCCVEGCSA-N 1 2 332.477 3.525 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001193977200 1135209635 /nfs/dbraw/zinc/20/96/35/1135209635.db2.gz PVPCXXNGSUKNLA-GTTSAUCSSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001193977200 1135209641 /nfs/dbraw/zinc/20/96/41/1135209641.db2.gz PVPCXXNGSUKNLA-GTTSAUCSSA-N 1 2 330.255 3.526 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193983538 1135209984 /nfs/dbraw/zinc/20/99/84/1135209984.db2.gz ISONLRJQIDHDEF-SJORKVTESA-N 1 2 333.476 3.993 20 0 EHADLO CCCC[C@H](CC)COC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193983535 1135210069 /nfs/dbraw/zinc/21/00/69/1135210069.db2.gz ISONLRJQIDHDEF-DLBZAZTESA-N 1 2 333.476 3.993 20 0 EHADLO CCCOC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001194148076 1135234379 /nfs/dbraw/zinc/23/43/79/1135234379.db2.gz RGKYZLSYXLKNGG-UHFFFAOYSA-N 1 2 328.815 3.580 20 0 EHADLO CCc1ccc([N@H+](CCCNC(=O)C(F)(F)F)CC2CC2)cc1 ZINC001194466832 1135270919 /nfs/dbraw/zinc/27/09/19/1135270919.db2.gz KQUUWFVYQPCNPA-UHFFFAOYSA-N 1 2 328.378 3.534 20 0 EHADLO CCc1ccc([N@@H+](CCCNC(=O)C(F)(F)F)CC2CC2)cc1 ZINC001194466832 1135270941 /nfs/dbraw/zinc/27/09/41/1135270941.db2.gz KQUUWFVYQPCNPA-UHFFFAOYSA-N 1 2 328.378 3.534 20 0 EHADLO COc1ccc(OC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001194528539 1135281726 /nfs/dbraw/zinc/28/17/26/1135281726.db2.gz VJJXDLLJNFTWOQ-UHFFFAOYSA-N 1 2 337.379 3.512 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001194693176 1135306512 /nfs/dbraw/zinc/30/65/12/1135306512.db2.gz ZKCLELXTHZNLEE-CQSZACIVSA-N 1 2 338.879 3.582 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001194693176 1135306517 /nfs/dbraw/zinc/30/65/17/1135306517.db2.gz ZKCLELXTHZNLEE-CQSZACIVSA-N 1 2 338.879 3.582 20 0 EHADLO CC[C@H](C)COC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001194836217 1135328299 /nfs/dbraw/zinc/32/82/99/1135328299.db2.gz YPPWDQAIYHVMEC-ZDUSSCGKSA-N 1 2 335.835 3.857 20 0 EHADLO C[C@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1cccc(N(C)C)c1 ZINC001194926972 1135341717 /nfs/dbraw/zinc/34/17/17/1135341717.db2.gz CWMQQDRQWPPNRC-HNNXBMFYSA-N 1 2 348.450 3.644 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Oc1ccccc1C(F)(F)F ZINC001195221176 1135396352 /nfs/dbraw/zinc/39/63/52/1135396352.db2.gz PMGVLPWHGIAREK-UHFFFAOYSA-N 1 2 335.285 3.642 20 0 EHADLO Cc1cc2cc(CNC(=O)Nc3ccc(C)[nH+]c3N(C)C)ccc2[nH]1 ZINC000806364055 1135436208 /nfs/dbraw/zinc/43/62/08/1135436208.db2.gz QNEDZECKQZCZGL-UHFFFAOYSA-N 1 2 337.427 3.567 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CCCCCC1 ZINC001195766467 1135462781 /nfs/dbraw/zinc/46/27/81/1135462781.db2.gz FGDALEMTGLEUMW-IRXDYDNUSA-N 1 2 337.504 3.968 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669889 1135464204 /nfs/dbraw/zinc/46/42/04/1135464204.db2.gz SHILBXKGPTTWOT-ZFWWWQNUSA-N 1 2 344.842 3.611 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669889 1135464207 /nfs/dbraw/zinc/46/42/07/1135464207.db2.gz SHILBXKGPTTWOT-ZFWWWQNUSA-N 1 2 344.842 3.611 20 0 EHADLO Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2N(C)C)cs1 ZINC000775681652 1135505574 /nfs/dbraw/zinc/50/55/74/1135505574.db2.gz FBXOMICJBGHDHF-OAHLLOKOSA-N 1 2 345.472 3.590 20 0 EHADLO CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)OC(C)(C)C ZINC001196124902 1135523810 /nfs/dbraw/zinc/52/38/10/1135523810.db2.gz OTEOLOFZQFKREU-RRFJBIMHSA-N 1 2 325.493 3.823 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807808221 1135572509 /nfs/dbraw/zinc/57/25/09/1135572509.db2.gz OYIWKNYGHSAJOC-MSOLQXFVSA-N 1 2 349.434 3.652 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cncc(-c2ccc(Cl)cc2)n1 ZINC001196599125 1135582521 /nfs/dbraw/zinc/58/25/21/1135582521.db2.gz FVRJRXGMMWCQRX-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732429 1135591256 /nfs/dbraw/zinc/59/12/56/1135591256.db2.gz WVPLCHJWXVXOMA-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732429 1135591258 /nfs/dbraw/zinc/59/12/58/1135591258.db2.gz WVPLCHJWXVXOMA-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCSCC1 ZINC000807948567 1135595305 /nfs/dbraw/zinc/59/53/05/1135595305.db2.gz MBCVJTTWAVOSSJ-HNNXBMFYSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCSCC1 ZINC000807948567 1135595310 /nfs/dbraw/zinc/59/53/10/1135595310.db2.gz MBCVJTTWAVOSSJ-HNNXBMFYSA-N 1 2 347.528 3.574 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000747452585 1135610525 /nfs/dbraw/zinc/61/05/25/1135610525.db2.gz SLAINNZDZLXNBW-UHFFFAOYSA-N 1 2 349.500 3.656 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000747452585 1135610526 /nfs/dbraw/zinc/61/05/26/1135610526.db2.gz SLAINNZDZLXNBW-UHFFFAOYSA-N 1 2 349.500 3.656 20 0 EHADLO C[N@H+](Cn1cccnc1=S)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197509 1135629030 /nfs/dbraw/zinc/62/90/30/1135629030.db2.gz ICOJRKNOKYZKBV-JKSUJKDBSA-N 1 2 329.469 3.748 20 0 EHADLO C[N@@H+](Cn1cccnc1=S)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197509 1135629032 /nfs/dbraw/zinc/62/90/32/1135629032.db2.gz ICOJRKNOKYZKBV-JKSUJKDBSA-N 1 2 329.469 3.748 20 0 EHADLO FC(F)(F)c1c[nH]c2[nH+]ccc(NCc3nccc(Cl)n3)c12 ZINC001170545943 1135630221 /nfs/dbraw/zinc/63/02/21/1135630221.db2.gz BRGIIZCTDNBZBL-UHFFFAOYSA-N 1 2 327.697 3.637 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000808226298 1135633071 /nfs/dbraw/zinc/63/30/71/1135633071.db2.gz BAUYNISEDFKDGT-MRXNPFEDSA-N 1 2 328.485 3.698 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000808226298 1135633075 /nfs/dbraw/zinc/63/30/75/1135633075.db2.gz BAUYNISEDFKDGT-MRXNPFEDSA-N 1 2 328.485 3.698 20 0 EHADLO CCC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCc2cccnc21 ZINC000775761740 1135659945 /nfs/dbraw/zinc/65/99/45/1135659945.db2.gz WNCGYVSVOMBFNH-HXUWFJFHSA-N 1 2 347.466 3.952 20 0 EHADLO CCC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCc2cccnc21 ZINC000775761740 1135659949 /nfs/dbraw/zinc/65/99/49/1135659949.db2.gz WNCGYVSVOMBFNH-HXUWFJFHSA-N 1 2 347.466 3.952 20 0 EHADLO Fc1ccc2[nH+]cc(CNC(=S)Nc3ccc(Cl)cc3)n2c1 ZINC001197362887 1135678325 /nfs/dbraw/zinc/67/83/25/1135678325.db2.gz SNPIIRHRSAJRKX-UHFFFAOYSA-N 1 2 334.807 3.613 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001197324890 1135679156 /nfs/dbraw/zinc/67/91/56/1135679156.db2.gz SKJJRBFRPIBMPD-HNNXBMFYSA-N 1 2 333.844 3.585 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001197777292 1135736304 /nfs/dbraw/zinc/73/63/04/1135736304.db2.gz HZVQHPPBQAJDPG-CYBMUJFWSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(F)c1Cl ZINC001197777292 1135736308 /nfs/dbraw/zinc/73/63/08/1135736308.db2.gz HZVQHPPBQAJDPG-CYBMUJFWSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)c1scnc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000808915503 1135760526 /nfs/dbraw/zinc/76/05/26/1135760526.db2.gz ZELLMLWDJZICRV-GFCCVEGCSA-N 1 2 335.477 3.699 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1F ZINC001198173821 1135782464 /nfs/dbraw/zinc/78/24/64/1135782464.db2.gz HYZSVKPXOGMJQI-HNNXBMFYSA-N 1 2 331.362 3.691 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1F ZINC001198173821 1135782468 /nfs/dbraw/zinc/78/24/68/1135782468.db2.gz HYZSVKPXOGMJQI-HNNXBMFYSA-N 1 2 331.362 3.691 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1ccc(C(C)(C)C)cc1 ZINC001198488259 1135822096 /nfs/dbraw/zinc/82/20/96/1135822096.db2.gz ZYCAINXNVNZGJZ-UHFFFAOYSA-N 1 2 330.501 3.900 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cccc(Br)n2)c1C ZINC000809352485 1135823889 /nfs/dbraw/zinc/82/38/89/1135823889.db2.gz QGJKBSCAWXDVHL-UHFFFAOYSA-N 1 2 336.233 3.501 20 0 EHADLO CC[C@@H](C)CC[C@@H](O)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809404813 1135837189 /nfs/dbraw/zinc/83/71/89/1135837189.db2.gz TZWSVWWCZXJHEB-RHSMWYFYSA-N 1 2 340.427 3.652 20 0 EHADLO CC(C)c1nsc(C[NH2+][C@]2(CO)CC[C@H](C)c3ccccc32)n1 ZINC001198694341 1135844273 /nfs/dbraw/zinc/84/42/73/1135844273.db2.gz CFYUMBZYMSCUEL-UGSOOPFHSA-N 1 2 331.485 3.536 20 0 EHADLO C[C@@H](c1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1)[NH+](C)C ZINC000809510544 1135846532 /nfs/dbraw/zinc/84/65/32/1135846532.db2.gz FAWWPDJEEBRVFM-JTQLQIEISA-N 1 2 325.334 3.791 20 0 EHADLO Cc1ccc(-c2noc(CCC[N@@H+]3Cc4ccncc4C3)n2)cc1F ZINC000809565204 1135850707 /nfs/dbraw/zinc/85/07/07/1135850707.db2.gz XRLYYNSKEUFHHZ-UHFFFAOYSA-N 1 2 338.386 3.528 20 0 EHADLO Cc1ccc(-c2noc(CCC[N@H+]3Cc4ccncc4C3)n2)cc1F ZINC000809565204 1135850711 /nfs/dbraw/zinc/85/07/11/1135850711.db2.gz XRLYYNSKEUFHHZ-UHFFFAOYSA-N 1 2 338.386 3.528 20 0 EHADLO C[C@H]1C[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)S1 ZINC000809555228 1135855620 /nfs/dbraw/zinc/85/56/20/1135855620.db2.gz DNEIKFBLJSAESA-UWVGGRQHSA-N 1 2 330.284 3.967 20 0 EHADLO C[C@@H]1C[C@@H](OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC(C)(C)C1 ZINC001131782202 1135859399 /nfs/dbraw/zinc/85/93/99/1135859399.db2.gz JPUMAOVLKMQEDM-BHIYHBOVSA-N 1 2 345.483 3.645 20 0 EHADLO C[C@@H]1C[C@@H](OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC(C)(C)C1 ZINC001131782202 1135859403 /nfs/dbraw/zinc/85/94/03/1135859403.db2.gz JPUMAOVLKMQEDM-BHIYHBOVSA-N 1 2 345.483 3.645 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)C3(CC(C)C)CCC3)CC2)c1 ZINC001131966984 1135906392 /nfs/dbraw/zinc/90/63/92/1135906392.db2.gz VVOLHAKJAXPBOG-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(Br)nc3)[nH]c2c1 ZINC000810222275 1135939908 /nfs/dbraw/zinc/93/99/08/1135939908.db2.gz YEUVPEBWKATLSK-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO C[C@H]([NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374692 1135960415 /nfs/dbraw/zinc/96/04/15/1135960415.db2.gz CHTXAZTWRRHKGA-GXTWGEPZSA-N 1 2 346.368 3.667 20 0 EHADLO C[C@H]([NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374692 1135960418 /nfs/dbraw/zinc/96/04/18/1135960418.db2.gz CHTXAZTWRRHKGA-GXTWGEPZSA-N 1 2 346.368 3.667 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001201103360 1135983390 /nfs/dbraw/zinc/98/33/90/1135983390.db2.gz LIAPJCYHYGBUTJ-INIZCTEOSA-N 1 2 347.871 3.975 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccc2c(c1)CCC2 ZINC000810603055 1135983667 /nfs/dbraw/zinc/98/36/67/1135983667.db2.gz JRPYHLGEPMVMBO-UHFFFAOYSA-N 1 2 346.430 3.706 20 0 EHADLO CCOC(=O)c1csc(-c2ccccc2Nc2ccc(N)[nH+]c2)n1 ZINC001201295159 1136003584 /nfs/dbraw/zinc/00/35/84/1136003584.db2.gz KWUXGGIZCJOHJI-UHFFFAOYSA-N 1 2 340.408 3.708 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1CNc1ccc(N(C)C)[nH+]c1 ZINC001201364427 1136008705 /nfs/dbraw/zinc/00/87/05/1136008705.db2.gz DYRMHHUZKYYLEW-UHFFFAOYSA-N 1 2 341.846 3.907 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000776175301 1136021612 /nfs/dbraw/zinc/02/16/12/1136021612.db2.gz KTBAUJMBUPZYKT-CQSZACIVSA-N 1 2 331.284 3.807 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3c(C)cccc3C)[nH+]c12 ZINC000747661158 1136027471 /nfs/dbraw/zinc/02/74/71/1136027471.db2.gz ZVWYACZKZRHWRI-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC1(Cl)Cl ZINC000747682369 1136053333 /nfs/dbraw/zinc/05/33/33/1136053333.db2.gz ZPVSDIKQLUKAMK-NSHDSACASA-N 1 2 340.254 3.740 20 0 EHADLO CC(C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC1(Cl)Cl ZINC000747682369 1136053336 /nfs/dbraw/zinc/05/33/36/1136053336.db2.gz ZPVSDIKQLUKAMK-NSHDSACASA-N 1 2 340.254 3.740 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc2cccnc21 ZINC001132814793 1136088176 /nfs/dbraw/zinc/08/81/76/1136088176.db2.gz CKZZLELLSMYSST-IBGZPJMESA-N 1 2 342.402 3.603 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(Br)cc2F)cs1 ZINC000107715655 1136176329 /nfs/dbraw/zinc/17/63/29/1136176329.db2.gz IZIXVWJIZISUHK-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3cccc(C(F)(F)F)c3)c[nH+]c12 ZINC001202298730 1136124771 /nfs/dbraw/zinc/12/47/71/1136124771.db2.gz PSYZQAWBERRCSG-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2CC[C@@H](Cc3ccccc3)C2=O)s1 ZINC000811743115 1136128839 /nfs/dbraw/zinc/12/88/39/1136128839.db2.gz MYCJPGPZQAHLKO-KRWDZBQOSA-N 1 2 328.481 3.537 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2CC[C@@H](Cc3ccccc3)C2=O)s1 ZINC000811743115 1136128841 /nfs/dbraw/zinc/12/88/41/1136128841.db2.gz MYCJPGPZQAHLKO-KRWDZBQOSA-N 1 2 328.481 3.537 20 0 EHADLO CC1=C(Br)C[N@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000797529041 1136135284 /nfs/dbraw/zinc/13/52/84/1136135284.db2.gz FLSSBEVSIXYHDH-MJBXVCDLSA-N 1 2 343.309 3.539 20 0 EHADLO CC1=C(Br)C[N@@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000797529041 1136135289 /nfs/dbraw/zinc/13/52/89/1136135289.db2.gz FLSSBEVSIXYHDH-MJBXVCDLSA-N 1 2 343.309 3.539 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1)CCC2 ZINC000811756712 1136135826 /nfs/dbraw/zinc/13/58/26/1136135826.db2.gz QZRDIUMTGTZRHI-RHSMWYFYSA-N 1 2 347.528 3.619 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1)CCC2 ZINC000811756712 1136135829 /nfs/dbraw/zinc/13/58/29/1136135829.db2.gz QZRDIUMTGTZRHI-RHSMWYFYSA-N 1 2 347.528 3.619 20 0 EHADLO Cc1nc(F)ccc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000811840842 1136144051 /nfs/dbraw/zinc/14/40/51/1136144051.db2.gz YKVDQXDZUWTTRI-UHFFFAOYSA-N 1 2 347.287 3.815 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000776312176 1136152263 /nfs/dbraw/zinc/15/22/63/1136152263.db2.gz QPIMPFOEYUNAOE-LBPRGKRZSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2CCCCCCC2)s1 ZINC000106878141 1136155035 /nfs/dbraw/zinc/15/50/35/1136155035.db2.gz UZGCCFGXNYMDEX-CQSZACIVSA-N 1 2 337.533 3.982 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2CCCCCCC2)s1 ZINC000106878141 1136155039 /nfs/dbraw/zinc/15/50/39/1136155039.db2.gz UZGCCFGXNYMDEX-CQSZACIVSA-N 1 2 337.533 3.982 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CCCOC3)c(=S)o2)c(C)c1 ZINC000107671165 1136175395 /nfs/dbraw/zinc/17/53/95/1136175395.db2.gz SODFDFDREWLWKR-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CCCOC3)c(=S)o2)c(C)c1 ZINC000107671165 1136175397 /nfs/dbraw/zinc/17/53/97/1136175397.db2.gz SODFDFDREWLWKR-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108360146 1136185337 /nfs/dbraw/zinc/18/53/37/1136185337.db2.gz KXUWIFBRDDKIFP-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108360146 1136185340 /nfs/dbraw/zinc/18/53/40/1136185340.db2.gz KXUWIFBRDDKIFP-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO CC(C)[N@H+](Cn1c2cc(Cl)ccc2n(C)c1=S)[C@@H]1CCOC1 ZINC000812291251 1136192524 /nfs/dbraw/zinc/19/25/24/1136192524.db2.gz LJUXYLMVNAJQFO-CYBMUJFWSA-N 1 2 339.892 3.819 20 0 EHADLO CC(C)[N@@H+](Cn1c2cc(Cl)ccc2n(C)c1=S)[C@@H]1CCOC1 ZINC000812291251 1136192528 /nfs/dbraw/zinc/19/25/28/1136192528.db2.gz LJUXYLMVNAJQFO-CYBMUJFWSA-N 1 2 339.892 3.819 20 0 EHADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000747782696 1136196147 /nfs/dbraw/zinc/19/61/47/1136196147.db2.gz QTVRPIWDCLNBHU-VIFPVBQESA-N 1 2 345.251 3.951 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000747785031 1136198695 /nfs/dbraw/zinc/19/86/95/1136198695.db2.gz YMRBWJVNCPPHAK-GOSISDBHSA-N 1 2 338.432 3.997 20 0 EHADLO CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000812420202 1136204940 /nfs/dbraw/zinc/20/49/40/1136204940.db2.gz VIJMSRATBAORFT-WMZOPIPTSA-N 1 2 341.455 3.761 20 0 EHADLO CN(C)c1cc(COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc[nH+]1 ZINC000850280380 1136230425 /nfs/dbraw/zinc/23/04/25/1136230425.db2.gz RIOLRJTWBGIAKG-CHWSQXEVSA-N 1 2 330.350 3.560 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1F ZINC000850537292 1136281496 /nfs/dbraw/zinc/28/14/96/1136281496.db2.gz OPRFRIRBCCPRRP-CYBMUJFWSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1ccc([C@H](C)C(=O)OCC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000851398859 1136376357 /nfs/dbraw/zinc/37/63/57/1136376357.db2.gz GQZNXGZAKVBLBN-HNNXBMFYSA-N 1 2 328.412 3.546 20 0 EHADLO CC(C)c1ncc(C(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000851465667 1136381747 /nfs/dbraw/zinc/38/17/47/1136381747.db2.gz BRUBWBBZGBCUKO-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)c1ncc(C(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000851465667 1136381750 /nfs/dbraw/zinc/38/17/50/1136381750.db2.gz BRUBWBBZGBCUKO-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO CCc1oc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1C(=O)OC ZINC000338940196 1136394679 /nfs/dbraw/zinc/39/46/79/1136394679.db2.gz UQAUSJMPIZMWLZ-UHFFFAOYSA-N 1 2 343.427 3.626 20 0 EHADLO C[N@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814180762 1136411996 /nfs/dbraw/zinc/41/19/96/1136411996.db2.gz RUIRHSRWPMJXNM-GFCCVEGCSA-N 1 2 333.375 3.824 20 0 EHADLO C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814180762 1136411998 /nfs/dbraw/zinc/41/19/98/1136411998.db2.gz RUIRHSRWPMJXNM-GFCCVEGCSA-N 1 2 333.375 3.824 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265948563 1136414025 /nfs/dbraw/zinc/41/40/25/1136414025.db2.gz OSYOYALYOVNMKZ-HNNXBMFYSA-N 1 2 330.432 3.614 20 0 EHADLO Fc1cc(Br)cc([C@@H]2CCC[N@H+]2CCOC(F)F)c1 ZINC000851939184 1136421169 /nfs/dbraw/zinc/42/11/69/1136421169.db2.gz AGIDVBFNZLFOGZ-LBPRGKRZSA-N 1 2 338.167 3.964 20 0 EHADLO Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2CCOC(F)F)c1 ZINC000851939184 1136421172 /nfs/dbraw/zinc/42/11/72/1136421172.db2.gz AGIDVBFNZLFOGZ-LBPRGKRZSA-N 1 2 338.167 3.964 20 0 EHADLO O=C1CC[C@H](C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944053 1136422208 /nfs/dbraw/zinc/42/22/08/1136422208.db2.gz JFEDLORUXONPHV-KGLIPLIRSA-N 1 2 345.386 3.501 20 0 EHADLO O=C1CC[C@H](C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944053 1136422209 /nfs/dbraw/zinc/42/22/09/1136422209.db2.gz JFEDLORUXONPHV-KGLIPLIRSA-N 1 2 345.386 3.501 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)c1C ZINC000852031778 1136428488 /nfs/dbraw/zinc/42/84/88/1136428488.db2.gz XSOGCFBMAOUAJJ-KRWDZBQOSA-N 1 2 343.402 3.503 20 0 EHADLO CCCCCC[C@@H](CC)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000852266760 1136444257 /nfs/dbraw/zinc/44/42/57/1136444257.db2.gz STCLBBVLRZFFCD-IAGOWNOFSA-N 1 2 334.508 3.836 20 0 EHADLO O=C1O[C@@H](C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2 ZINC000852406590 1136454291 /nfs/dbraw/zinc/45/42/91/1136454291.db2.gz QPJJNSCNBNISAH-GFCCVEGCSA-N 1 2 340.250 3.837 20 0 EHADLO O=C1O[C@@H](C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2 ZINC000852406590 1136454293 /nfs/dbraw/zinc/45/42/93/1136454293.db2.gz QPJJNSCNBNISAH-GFCCVEGCSA-N 1 2 340.250 3.837 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544675 1136464651 /nfs/dbraw/zinc/46/46/51/1136464651.db2.gz WJFMGHRXIHDKHF-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544675 1136464652 /nfs/dbraw/zinc/46/46/52/1136464652.db2.gz WJFMGHRXIHDKHF-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO CC(C)[C@H]([NH2+]CC(F)(F)C(F)F)[C@H](O)c1ccc(Cl)cc1 ZINC000852730379 1136481276 /nfs/dbraw/zinc/48/12/76/1136481276.db2.gz DTNPLIWXZWFKJF-NWDGAFQWSA-N 1 2 327.749 3.888 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3nccn3C(C)C)[C@@H](C)C2)cc1C ZINC000747967589 1136488524 /nfs/dbraw/zinc/48/85/24/1136488524.db2.gz GWMFLJDTFFIXET-SFHVURJKSA-N 1 2 326.488 3.792 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3nccn3C(C)C)[C@@H](C)C2)cc1C ZINC000747967589 1136488526 /nfs/dbraw/zinc/48/85/26/1136488526.db2.gz GWMFLJDTFFIXET-SFHVURJKSA-N 1 2 326.488 3.792 20 0 EHADLO Cc1nn(Cc2cccc(C(C)C)c2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852964349 1136494538 /nfs/dbraw/zinc/49/45/38/1136494538.db2.gz RHDFQXHPULRLBK-IBGZPJMESA-N 1 2 327.472 3.675 20 0 EHADLO Cc1nn(Cc2cccc(C(C)C)c2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852964349 1136494540 /nfs/dbraw/zinc/49/45/40/1136494540.db2.gz RHDFQXHPULRLBK-IBGZPJMESA-N 1 2 327.472 3.675 20 0 EHADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)sc1-c1ccc(F)cc1 ZINC000747983819 1136517688 /nfs/dbraw/zinc/51/76/88/1136517688.db2.gz IHBLBKMAPRSDNE-CYBMUJFWSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)sc1-c1ccc(F)cc1 ZINC000747983819 1136517690 /nfs/dbraw/zinc/51/76/90/1136517690.db2.gz IHBLBKMAPRSDNE-CYBMUJFWSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)sc1-c1ccc(F)cc1 ZINC000747983821 1136517748 /nfs/dbraw/zinc/51/77/48/1136517748.db2.gz IHBLBKMAPRSDNE-ZDUSSCGKSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)sc1-c1ccc(F)cc1 ZINC000747983821 1136517752 /nfs/dbraw/zinc/51/77/52/1136517752.db2.gz IHBLBKMAPRSDNE-ZDUSSCGKSA-N 1 2 332.444 3.639 20 0 EHADLO Cn1ncc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1Cl ZINC000815141269 1136561871 /nfs/dbraw/zinc/56/18/71/1136561871.db2.gz XLEQEMSHXSJYBM-UHFFFAOYSA-N 1 2 336.867 3.573 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000854156533 1136593262 /nfs/dbraw/zinc/59/32/62/1136593262.db2.gz ONERCNDQESHNEQ-LSDHHAIUSA-N 1 2 337.851 3.936 20 0 EHADLO CC(C)c1cccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)c1 ZINC000854164842 1136593893 /nfs/dbraw/zinc/59/38/93/1136593893.db2.gz BNTCJMGYBKBQNU-AWEZNQCLSA-N 1 2 331.416 3.592 20 0 EHADLO O=C(Nc1cc(F)c(O)cc1Cl)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000885674201 1136599246 /nfs/dbraw/zinc/59/92/46/1136599246.db2.gz KFAAXJSNHZHBOV-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1cc(F)c(O)cc1Cl)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000885674201 1136599250 /nfs/dbraw/zinc/59/92/50/1136599250.db2.gz KFAAXJSNHZHBOV-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO Cc1ccc2c(c1)SCCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000854514949 1136623105 /nfs/dbraw/zinc/62/31/05/1136623105.db2.gz FSKHACGNFWYQOR-UHFFFAOYSA-N 1 2 341.480 3.599 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2ccnc3ccccc32)CC1)n1cc[nH+]c1 ZINC000854757060 1136642074 /nfs/dbraw/zinc/64/20/74/1136642074.db2.gz NTKPQENKFPLESW-MRXNPFEDSA-N 1 2 348.450 3.789 20 0 EHADLO CCOc1ccc(CN(C(=O)c2cccc3[nH+]ccn32)C(C)C)cc1 ZINC000776804715 1136686607 /nfs/dbraw/zinc/68/66/07/1136686607.db2.gz JCXSWZOKOXSVEW-UHFFFAOYSA-N 1 2 337.423 3.784 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000816480520 1136723204 /nfs/dbraw/zinc/72/32/04/1136723204.db2.gz OPUZSCGOIOOWDQ-LJQANCHMSA-N 1 2 335.407 3.973 20 0 EHADLO CC1(C)CCC(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001135603240 1136725491 /nfs/dbraw/zinc/72/54/91/1136725491.db2.gz ZEIATYKTGHOOCQ-UHFFFAOYSA-N 1 2 334.529 3.999 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000816636840 1136743060 /nfs/dbraw/zinc/74/30/60/1136743060.db2.gz JIMLIMDDPDPXBZ-OAHLLOKOSA-N 1 2 333.863 3.870 20 0 EHADLO COC[C@H]1CC[N@H+]1Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000816636840 1136743063 /nfs/dbraw/zinc/74/30/63/1136743063.db2.gz JIMLIMDDPDPXBZ-OAHLLOKOSA-N 1 2 333.863 3.870 20 0 EHADLO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000338985131 1136748827 /nfs/dbraw/zinc/74/88/27/1136748827.db2.gz LBHPDEAFLMWPJW-LJQANCHMSA-N 1 2 349.434 3.534 20 0 EHADLO CC[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000338985131 1136748830 /nfs/dbraw/zinc/74/88/30/1136748830.db2.gz LBHPDEAFLMWPJW-LJQANCHMSA-N 1 2 349.434 3.534 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1F ZINC000830356181 1136752436 /nfs/dbraw/zinc/75/24/36/1136752436.db2.gz VNNKHHHWSUDXQJ-CYBMUJFWSA-N 1 2 329.202 3.741 20 0 EHADLO c1cn(-c2ccc(CNc3nc(C4CCCC4)ns3)cc2)c[nH+]1 ZINC000817117520 1136780646 /nfs/dbraw/zinc/78/06/46/1136780646.db2.gz LQGGBXJSBJIVEH-UHFFFAOYSA-N 1 2 325.441 3.994 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)nc1 ZINC000338995615 1136787335 /nfs/dbraw/zinc/78/73/35/1136787335.db2.gz NKKIZCFYJVUOND-GOSISDBHSA-N 1 2 343.858 3.535 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)nc1 ZINC000338995615 1136787338 /nfs/dbraw/zinc/78/73/38/1136787338.db2.gz NKKIZCFYJVUOND-GOSISDBHSA-N 1 2 343.858 3.535 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000817274188 1136793161 /nfs/dbraw/zinc/79/31/61/1136793161.db2.gz FPDFUGOJFGOCFQ-XJKSGUPXSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000817274188 1136793162 /nfs/dbraw/zinc/79/31/62/1136793162.db2.gz FPDFUGOJFGOCFQ-XJKSGUPXSA-N 1 2 337.851 3.535 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc(F)c2C)[nH+]1 ZINC000817421723 1136807289 /nfs/dbraw/zinc/80/72/89/1136807289.db2.gz KBLUTIJXAFBNNW-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO COc1ccc(/C=C(/C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1F ZINC000817458854 1136808567 /nfs/dbraw/zinc/80/85/67/1136808567.db2.gz MKNQKHLHQVTHDH-GHXNOFRVSA-N 1 2 328.387 3.566 20 0 EHADLO Cc1noc(C)c1C[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817574549 1136821564 /nfs/dbraw/zinc/82/15/64/1136821564.db2.gz QSBHTUDGQLVSEN-LBPRGKRZSA-N 1 2 342.262 3.751 20 0 EHADLO c1cnc2c(c1)CC[C@H]([NH2+]c1ccc(N3CCSCC3)cc1)CC2 ZINC000817587016 1136826255 /nfs/dbraw/zinc/82/62/55/1136826255.db2.gz UYYUQUVYLCZFQW-KRWDZBQOSA-N 1 2 339.508 3.994 20 0 EHADLO COCc1csc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000857043467 1136835975 /nfs/dbraw/zinc/83/59/75/1136835975.db2.gz BPCFVTNGBQOBGV-SFHVURJKSA-N 1 2 345.464 3.602 20 0 EHADLO COCc1csc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000857043467 1136835977 /nfs/dbraw/zinc/83/59/77/1136835977.db2.gz BPCFVTNGBQOBGV-SFHVURJKSA-N 1 2 345.464 3.602 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000817840739 1136841052 /nfs/dbraw/zinc/84/10/52/1136841052.db2.gz BOUDCUVPJJVJBT-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001136051049 1136844428 /nfs/dbraw/zinc/84/44/28/1136844428.db2.gz PSNYKRVMASVYKH-FQEVSTJZSA-N 1 2 333.435 3.833 20 0 EHADLO CCCCCCOC(=O)CCC(=O)CNc1ccc([NH+](C)C)c(C)c1 ZINC001170884235 1136855087 /nfs/dbraw/zinc/85/50/87/1136855087.db2.gz ZNORDRXIDUXIFD-UHFFFAOYSA-N 1 2 348.487 3.946 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@]1(O)C(F)(F)F ZINC001137656513 1136880852 /nfs/dbraw/zinc/88/08/52/1136880852.db2.gz IJPVPEAFVJOHCX-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@]1(O)C(F)(F)F ZINC001137656513 1136880855 /nfs/dbraw/zinc/88/08/55/1136880855.db2.gz IJPVPEAFVJOHCX-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCC(F)(F)c1ccccn1 ZINC001170908064 1136881646 /nfs/dbraw/zinc/88/16/46/1136881646.db2.gz YFMNELLTUNBGKD-UHFFFAOYSA-N 1 2 349.381 3.565 20 0 EHADLO CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1c1ccccc1 ZINC000776976288 1136908156 /nfs/dbraw/zinc/90/81/56/1136908156.db2.gz ZVVHRMICIOHERM-SJLPKXTDSA-N 1 2 333.435 3.990 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857944689 1136924913 /nfs/dbraw/zinc/92/49/13/1136924913.db2.gz LTXUWTIYQPIEEV-GOSISDBHSA-N 1 2 339.483 3.635 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977154 1136926964 /nfs/dbraw/zinc/92/69/64/1136926964.db2.gz AUXMTVBPIPLWPV-DNGMOHDESA-N 1 2 336.222 3.854 20 0 EHADLO O=C(CCCc1cc(Cl)sc1Cl)N[C@H]1CCn2c[nH+]cc21 ZINC000857984348 1136927236 /nfs/dbraw/zinc/92/72/36/1136927236.db2.gz YSXYXKNTIUOEMK-JTQLQIEISA-N 1 2 344.267 3.835 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(c2cccc(Cl)c2)CCCC1 ZINC000857987816 1136927559 /nfs/dbraw/zinc/92/75/59/1136927559.db2.gz ANCUHFMZDYBBAR-HNNXBMFYSA-N 1 2 329.831 3.610 20 0 EHADLO Cc1cc2occ(CC(=O)N[C@H]3CCn4c[nH+]cc43)c2cc1C(C)C ZINC000857991443 1136927799 /nfs/dbraw/zinc/92/77/99/1136927799.db2.gz YFOSVTFCNPDZJK-KRWDZBQOSA-N 1 2 337.423 3.865 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCOc1ccccc1C(C)C)CCN2 ZINC000858000336 1136928599 /nfs/dbraw/zinc/92/85/99/1136928599.db2.gz ZTDOHCDGHHIGKF-UHFFFAOYSA-N 1 2 339.439 3.741 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000858014216 1136930676 /nfs/dbraw/zinc/93/06/76/1136930676.db2.gz MFVDYOUIDFZNSL-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000858014216 1136930678 /nfs/dbraw/zinc/93/06/78/1136930678.db2.gz MFVDYOUIDFZNSL-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046472 1136934764 /nfs/dbraw/zinc/93/47/64/1136934764.db2.gz NQOBPIMYABNLDQ-MRXNPFEDSA-N 1 2 341.455 3.898 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046472 1136934766 /nfs/dbraw/zinc/93/47/66/1136934766.db2.gz NQOBPIMYABNLDQ-MRXNPFEDSA-N 1 2 341.455 3.898 20 0 EHADLO Cc1cc(NC[C@@H](O)COCc2ccccc2Cl)ccc1[NH+](C)C ZINC000819407790 1136937163 /nfs/dbraw/zinc/93/71/63/1136937163.db2.gz BQXSKYGVTPGAJX-QGZVFWFLSA-N 1 2 348.874 3.704 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(F)=C2CCC2)c(C)c1 ZINC000819417322 1136942261 /nfs/dbraw/zinc/94/22/61/1136942261.db2.gz XRUPMMKHAKSPRZ-KRWDZBQOSA-N 1 2 327.403 3.765 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccns1 ZINC000858316422 1136958114 /nfs/dbraw/zinc/95/81/14/1136958114.db2.gz BTLAKWKZXJMGCP-SNVBAGLBSA-N 1 2 345.449 3.846 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858363048 1136961838 /nfs/dbraw/zinc/96/18/38/1136961838.db2.gz DUWNCSJCMVPEIR-OAHLLOKOSA-N 1 2 341.455 3.976 20 0 EHADLO CON(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccccc1C ZINC000820033377 1136973867 /nfs/dbraw/zinc/97/38/67/1136973867.db2.gz JXFUEXLXGDSTNT-MRXNPFEDSA-N 1 2 335.407 3.946 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C(F)F)c1F ZINC000858727176 1136989047 /nfs/dbraw/zinc/98/90/47/1136989047.db2.gz DSVQNNMRSAXFMV-CYBMUJFWSA-N 1 2 339.361 3.805 20 0 EHADLO C[C@H](C(=O)O[C@@H](C(=O)C1CC1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820393174 1136989857 /nfs/dbraw/zinc/98/98/57/1136989857.db2.gz KQOJXRVYZCQQGW-NXEZDXNNSA-N 1 2 329.440 3.511 20 0 EHADLO C[C@H](C(=O)O[C@@H](C(=O)C1CC1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000820393174 1136989859 /nfs/dbraw/zinc/98/98/59/1136989859.db2.gz KQOJXRVYZCQQGW-NXEZDXNNSA-N 1 2 329.440 3.511 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCc2ccccc2CC1 ZINC000858828027 1136993752 /nfs/dbraw/zinc/99/37/52/1136993752.db2.gz BTEFBYFLXSGOJX-UHFFFAOYSA-N 1 2 345.446 3.684 20 0 EHADLO O=C(/C=C\c1ccsc1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820502702 1136996725 /nfs/dbraw/zinc/99/67/25/1136996725.db2.gz CBEBDNHMAVGZPH-PLNGDYQASA-N 1 2 343.839 3.917 20 0 EHADLO O=C(/C=C/c1ccsc1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820502703 1136996741 /nfs/dbraw/zinc/99/67/41/1136996741.db2.gz CBEBDNHMAVGZPH-SNAWJCMRSA-N 1 2 343.839 3.917 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3scnc32)c1C ZINC000858916663 1136996783 /nfs/dbraw/zinc/99/67/83/1136996783.db2.gz NETHWECJZPDKEJ-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO c1[nH]c2c([nH+]1)CCN(c1ncnc3sc(-c4ccccc4)cc31)C2 ZINC000820581741 1136998275 /nfs/dbraw/zinc/99/82/75/1136998275.db2.gz ZMAMOWSZGHYYOL-UHFFFAOYSA-N 1 2 333.420 3.644 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2cc(O)ccc2Cl)C2CC2)cc1 ZINC000859051915 1137001268 /nfs/dbraw/zinc/00/12/68/1137001268.db2.gz OBGAFZQLFZESHW-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2cc(O)ccc2Cl)C2CC2)cc1 ZINC000859051915 1137001270 /nfs/dbraw/zinc/00/12/70/1137001270.db2.gz OBGAFZQLFZESHW-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001136394418 1137010730 /nfs/dbraw/zinc/01/07/30/1137010730.db2.gz LSDMAARNLNXLSF-QGZVFWFLSA-N 1 2 345.462 3.921 20 0 EHADLO CCOCC[N@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000859829973 1137033315 /nfs/dbraw/zinc/03/33/15/1137033315.db2.gz MGGNTRUVKDTBBZ-MRXNPFEDSA-N 1 2 333.863 3.600 20 0 EHADLO CCOCC[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000859829973 1137033316 /nfs/dbraw/zinc/03/33/16/1137033316.db2.gz MGGNTRUVKDTBBZ-MRXNPFEDSA-N 1 2 333.863 3.600 20 0 EHADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2cc3ccccc3nc2Cl)n[nH]1 ZINC000859893655 1137036190 /nfs/dbraw/zinc/03/61/90/1137036190.db2.gz SNIXZFYXJZSAOO-MRXNPFEDSA-N 1 2 340.814 3.721 20 0 EHADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2Cl)n[nH]1 ZINC000859893655 1137036191 /nfs/dbraw/zinc/03/61/91/1137036191.db2.gz SNIXZFYXJZSAOO-MRXNPFEDSA-N 1 2 340.814 3.721 20 0 EHADLO Cc1ccc(N(C)C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1C ZINC001136489753 1137037668 /nfs/dbraw/zinc/03/76/68/1137037668.db2.gz BQCKIQRRWNHIPD-UHFFFAOYSA-N 1 2 348.450 3.889 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000860001777 1137040223 /nfs/dbraw/zinc/04/02/23/1137040223.db2.gz BDTAUJUDDWFZSE-UHFFFAOYSA-N 1 2 330.432 3.757 20 0 EHADLO CCc1ccc(C2CC[NH+]([C@@H](C)c3nc(N)nc(Cl)n3)CC2)cc1 ZINC000860025566 1137041106 /nfs/dbraw/zinc/04/11/06/1137041106.db2.gz BSVULZPEDFUEDF-LBPRGKRZSA-N 1 2 345.878 3.610 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000822037840 1137046132 /nfs/dbraw/zinc/04/61/32/1137046132.db2.gz MTXSVIJBZNBGMK-QWFCFKBJSA-N 1 2 337.467 3.961 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529722 1137062529 /nfs/dbraw/zinc/06/25/29/1137062529.db2.gz HUZUYCPOLSXORP-ZDUSSCGKSA-N 1 2 344.286 3.508 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529722 1137062530 /nfs/dbraw/zinc/06/25/30/1137062530.db2.gz HUZUYCPOLSXORP-ZDUSSCGKSA-N 1 2 344.286 3.508 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c2c1CCC2 ZINC000822725929 1137071700 /nfs/dbraw/zinc/07/17/00/1137071700.db2.gz KKVVFIXWBUBYST-GOSISDBHSA-N 1 2 325.456 3.525 20 0 EHADLO Cc1cc(NC(=O)c2c[nH]c(=O)c3ccccc23)ccc1-n1cc[nH+]c1 ZINC001136624606 1137072821 /nfs/dbraw/zinc/07/28/21/1137072821.db2.gz BGLYXMLQGIGTPG-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CCCOc1cccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822766518 1137074706 /nfs/dbraw/zinc/07/47/06/1137074706.db2.gz RXJJPCKAOOKOKA-SFHVURJKSA-N 1 2 335.407 3.761 20 0 EHADLO CCCCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H](C)CC ZINC001136636437 1137076697 /nfs/dbraw/zinc/07/66/97/1137076697.db2.gz ACKZQGCCYMKNDT-VQIMIIECSA-N 1 2 332.488 3.697 20 0 EHADLO CCCCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H](C)CC ZINC001136636437 1137076698 /nfs/dbraw/zinc/07/66/98/1137076698.db2.gz ACKZQGCCYMKNDT-VQIMIIECSA-N 1 2 332.488 3.697 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cn1cnc(-c3ccccc3)n1)CCC2 ZINC000117864040 1137085196 /nfs/dbraw/zinc/08/51/96/1137085196.db2.gz KSNVPEFXHQCRDU-MRXNPFEDSA-N 1 2 339.468 3.677 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cn1cnc(-c3ccccc3)n1)CCC2 ZINC000117864040 1137085197 /nfs/dbraw/zinc/08/51/97/1137085197.db2.gz KSNVPEFXHQCRDU-MRXNPFEDSA-N 1 2 339.468 3.677 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005367 1137086642 /nfs/dbraw/zinc/08/66/42/1137086642.db2.gz ORAWXNNIALYCKC-PBHICJAKSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005367 1137086644 /nfs/dbraw/zinc/08/66/44/1137086644.db2.gz ORAWXNNIALYCKC-PBHICJAKSA-N 1 2 334.435 3.582 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC(CC(C)C)CC(C)C)cc1 ZINC001136679842 1137089538 /nfs/dbraw/zinc/08/95/38/1137089538.db2.gz IHCKHMNXQBXMNJ-FQEVSTJZSA-N 1 2 346.515 3.847 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC(CC(C)C)CC(C)C)cc1 ZINC001136679842 1137089540 /nfs/dbraw/zinc/08/95/40/1137089540.db2.gz IHCKHMNXQBXMNJ-FQEVSTJZSA-N 1 2 346.515 3.847 20 0 EHADLO CC[C@H](Cc1ccccc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823393644 1137098085 /nfs/dbraw/zinc/09/80/85/1137098085.db2.gz LKKUOLVCGRTURH-CABCVRRESA-N 1 2 345.443 3.538 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000823402106 1137098418 /nfs/dbraw/zinc/09/84/18/1137098418.db2.gz RFOFAPPDSMDSRI-AWEZNQCLSA-N 1 2 345.443 3.766 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC000861352068 1137102409 /nfs/dbraw/zinc/10/24/09/1137102409.db2.gz XQBNHWAYUROLKQ-LLVKDONJSA-N 1 2 337.345 3.517 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000861350131 1137102470 /nfs/dbraw/zinc/10/24/70/1137102470.db2.gz XCVYOGFCZOIPPW-JTQLQIEISA-N 1 2 343.374 3.520 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729013 1137102574 /nfs/dbraw/zinc/10/25/74/1137102574.db2.gz PEWPWWJXUWXFLV-MEJUDOHFSA-N 1 2 348.490 3.956 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2ccccn2)c1 ZINC000824050976 1137122703 /nfs/dbraw/zinc/12/27/03/1137122703.db2.gz PWASTCNDMLXTAC-NRFANRHFSA-N 1 2 332.451 3.880 20 0 EHADLO Clc1cccc2[nH]c(CN3CC[NH+](Cc4ccccn4)CC3)cc21 ZINC001136858044 1137132963 /nfs/dbraw/zinc/13/29/63/1137132963.db2.gz LAWPCRIVMNUXDG-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccnc1Cl ZINC000824417184 1137138575 /nfs/dbraw/zinc/13/85/75/1137138575.db2.gz QXOQRVUSPHGEDV-SFHVURJKSA-N 1 2 332.806 3.844 20 0 EHADLO Fc1c(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccnc1Cl ZINC000824417184 1137138576 /nfs/dbraw/zinc/13/85/76/1137138576.db2.gz QXOQRVUSPHGEDV-SFHVURJKSA-N 1 2 332.806 3.844 20 0 EHADLO COC(=O)C1([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171060426 1137144652 /nfs/dbraw/zinc/14/46/52/1137144652.db2.gz RZUXGLZWFDWEDR-LBPRGKRZSA-N 1 2 328.239 3.536 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC[C@H]2CC2(Cl)Cl)c1C ZINC000824664472 1137147437 /nfs/dbraw/zinc/14/74/37/1137147437.db2.gz XDWZQLPCTKPGBE-LBPRGKRZSA-N 1 2 345.270 3.639 20 0 EHADLO Cc1ccsc1C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824673356 1137147634 /nfs/dbraw/zinc/14/76/34/1137147634.db2.gz RBXJEIBZMZSHOC-NSHDSACASA-N 1 2 334.432 3.695 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)no1 ZINC001136930221 1137150145 /nfs/dbraw/zinc/15/01/45/1137150145.db2.gz DTJUWOPHJXMPQO-VIFPVBQESA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)no1 ZINC001136930221 1137150146 /nfs/dbraw/zinc/15/01/46/1137150146.db2.gz DTJUWOPHJXMPQO-VIFPVBQESA-N 1 2 346.740 3.516 20 0 EHADLO Fc1cc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)ccn1 ZINC000824806053 1137153221 /nfs/dbraw/zinc/15/32/21/1137153221.db2.gz YXSKQWUUQRMFRS-UHFFFAOYSA-N 1 2 346.475 3.657 20 0 EHADLO Cc1cccn2c(CN3CCN(c4ccccc4Cl)CC3)c[nH+]c12 ZINC001136964338 1137157895 /nfs/dbraw/zinc/15/78/95/1137157895.db2.gz KDWAHGHMGLGFBX-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c2c1 ZINC001136975733 1137159788 /nfs/dbraw/zinc/15/97/88/1137159788.db2.gz PQVFMNNKXRIKCO-JOCHJYFZSA-N 1 2 331.463 3.891 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c2c1 ZINC001136975733 1137159789 /nfs/dbraw/zinc/15/97/89/1137159789.db2.gz PQVFMNNKXRIKCO-JOCHJYFZSA-N 1 2 331.463 3.891 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCOc1ccccc1 ZINC000119168114 1137163596 /nfs/dbraw/zinc/16/35/96/1137163596.db2.gz FYSGKWKIZAKVPA-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCOc1ccccc1 ZINC000119168114 1137163598 /nfs/dbraw/zinc/16/35/98/1137163598.db2.gz FYSGKWKIZAKVPA-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(F)ccc1F ZINC000825068478 1137164330 /nfs/dbraw/zinc/16/43/30/1137164330.db2.gz QPWCLDXWKRYQOG-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136989865 1137165570 /nfs/dbraw/zinc/16/55/70/1137165570.db2.gz WBBZOHYJDKGIES-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136989865 1137165571 /nfs/dbraw/zinc/16/55/71/1137165571.db2.gz WBBZOHYJDKGIES-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000862992191 1137166350 /nfs/dbraw/zinc/16/63/50/1137166350.db2.gz JOWJDUJPDRPUPT-INIZCTEOSA-N 1 2 337.398 3.882 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)c(Br)c1 ZINC001171078862 1137170767 /nfs/dbraw/zinc/17/07/67/1137170767.db2.gz SYCSCXFQQFKMGV-LBPRGKRZSA-N 1 2 339.277 3.959 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)c(Br)c1 ZINC001171078862 1137170769 /nfs/dbraw/zinc/17/07/69/1137170769.db2.gz SYCSCXFQQFKMGV-LBPRGKRZSA-N 1 2 339.277 3.959 20 0 EHADLO C[C@@H]1C[N@@H+](CN2c3cccc4cccc(c34)C2=O)C[C@H](C)C1(F)F ZINC000863275133 1137179140 /nfs/dbraw/zinc/17/91/40/1137179140.db2.gz PQMHLJOIRSDGND-BETUJISGSA-N 1 2 330.378 3.981 20 0 EHADLO C[C@@H]1C[N@H+](CN2c3cccc4cccc(c34)C2=O)C[C@H](C)C1(F)F ZINC000863275133 1137179142 /nfs/dbraw/zinc/17/91/42/1137179142.db2.gz PQMHLJOIRSDGND-BETUJISGSA-N 1 2 330.378 3.981 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341184 1137181467 /nfs/dbraw/zinc/18/14/67/1137181467.db2.gz WDCPGTUNDOTWNL-PYLYLYNFSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341184 1137181469 /nfs/dbraw/zinc/18/14/69/1137181469.db2.gz WDCPGTUNDOTWNL-PYLYLYNFSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339776 1137181638 /nfs/dbraw/zinc/18/16/38/1137181638.db2.gz IWPAHTUZKPWCMR-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339776 1137181639 /nfs/dbraw/zinc/18/16/39/1137181639.db2.gz IWPAHTUZKPWCMR-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1Cl ZINC001143371225 1137183468 /nfs/dbraw/zinc/18/34/68/1137183468.db2.gz JYJHMHMNCJBMGV-LLVKDONJSA-N 1 2 343.826 3.651 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1Cl ZINC001143371225 1137183469 /nfs/dbraw/zinc/18/34/69/1137183469.db2.gz JYJHMHMNCJBMGV-LLVKDONJSA-N 1 2 343.826 3.651 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001143698195 1137190386 /nfs/dbraw/zinc/19/03/86/1137190386.db2.gz AIGZOBASHKPGAX-UHFFFAOYSA-N 1 2 335.753 3.851 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001143698195 1137190387 /nfs/dbraw/zinc/19/03/87/1137190387.db2.gz AIGZOBASHKPGAX-UHFFFAOYSA-N 1 2 335.753 3.851 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(Cc3c(C)cc(C)cc3C)no2)c1 ZINC000863660656 1137197655 /nfs/dbraw/zinc/19/76/55/1137197655.db2.gz WDELLTLHRKXSHJ-LJQANCHMSA-N 1 2 337.423 3.642 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2noc3ccccc32)CC1 ZINC001143757460 1137197779 /nfs/dbraw/zinc/19/77/79/1137197779.db2.gz AFMBGBLKCVXYLO-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO O[C@H]1CCCC[C@@H]1Nc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000863689659 1137199518 /nfs/dbraw/zinc/19/95/18/1137199518.db2.gz CTECSASVFQNBBH-PMACEKPBSA-N 1 2 348.450 3.709 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)C[C@@H]1C ZINC001143799880 1137200772 /nfs/dbraw/zinc/20/07/72/1137200772.db2.gz CCPJRJIYVQTWBO-WPRPVWTQSA-N 1 2 336.646 3.888 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)C[C@@H]1C ZINC001143799880 1137200773 /nfs/dbraw/zinc/20/07/73/1137200773.db2.gz CCPJRJIYVQTWBO-WPRPVWTQSA-N 1 2 336.646 3.888 20 0 EHADLO CC(C)O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143823709 1137201748 /nfs/dbraw/zinc/20/17/48/1137201748.db2.gz AQUBZJUWQNVILQ-JTQLQIEISA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)O[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143823709 1137201749 /nfs/dbraw/zinc/20/17/49/1137201749.db2.gz AQUBZJUWQNVILQ-JTQLQIEISA-N 1 2 334.204 3.727 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1F ZINC001143825381 1137202276 /nfs/dbraw/zinc/20/22/76/1137202276.db2.gz LJNPTPFSYATUEY-IUODEOHRSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1F ZINC001143825381 1137202277 /nfs/dbraw/zinc/20/22/77/1137202277.db2.gz LJNPTPFSYATUEY-IUODEOHRSA-N 1 2 327.827 3.879 20 0 EHADLO COCC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143813671 1137203132 /nfs/dbraw/zinc/20/31/32/1137203132.db2.gz WWMISZSYELVHGP-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1Br ZINC001143813590 1137203203 /nfs/dbraw/zinc/20/32/03/1137203203.db2.gz VEWCYBIVVARNJD-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1Br ZINC001143813590 1137203204 /nfs/dbraw/zinc/20/32/04/1137203204.db2.gz VEWCYBIVVARNJD-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860385 1137204967 /nfs/dbraw/zinc/20/49/67/1137204967.db2.gz NAGTWUSIUWLNFJ-ZJUUUORDSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860385 1137204968 /nfs/dbraw/zinc/20/49/68/1137204968.db2.gz NAGTWUSIUWLNFJ-ZJUUUORDSA-N 1 2 334.218 3.906 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1OC(F)(F)F ZINC001143867593 1137206778 /nfs/dbraw/zinc/20/67/78/1137206778.db2.gz DVPWSNGWFAXMPN-ZIAGYGMSSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1OC(F)(F)F ZINC001143867593 1137206779 /nfs/dbraw/zinc/20/67/79/1137206779.db2.gz DVPWSNGWFAXMPN-ZIAGYGMSSA-N 1 2 339.304 3.866 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCCOC2)O1 ZINC000794580241 1137209866 /nfs/dbraw/zinc/20/98/66/1137209866.db2.gz ASXAQZYGRTWWCA-AUUYWEPGSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCCOC2)O1 ZINC000794580241 1137209867 /nfs/dbraw/zinc/20/98/67/1137209867.db2.gz ASXAQZYGRTWWCA-AUUYWEPGSA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@@H](OCC[N@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000844324499 1137212595 /nfs/dbraw/zinc/21/25/95/1137212595.db2.gz IQDKOBNAWJMWOS-GOSISDBHSA-N 1 2 348.874 3.697 20 0 EHADLO CC[C@@H](OCC[N@@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000844324499 1137212596 /nfs/dbraw/zinc/21/25/96/1137212596.db2.gz IQDKOBNAWJMWOS-GOSISDBHSA-N 1 2 348.874 3.697 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143896214 1137212999 /nfs/dbraw/zinc/21/29/99/1137212999.db2.gz WWLCCLBQNSUROB-NSHDSACASA-N 1 2 343.826 3.651 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143896214 1137213000 /nfs/dbraw/zinc/21/30/00/1137213000.db2.gz WWLCCLBQNSUROB-NSHDSACASA-N 1 2 343.826 3.651 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000844372526 1137213637 /nfs/dbraw/zinc/21/36/37/1137213637.db2.gz YQCIYDIVYFUMDX-GOSISDBHSA-N 1 2 349.862 3.504 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000844372526 1137213638 /nfs/dbraw/zinc/21/36/38/1137213638.db2.gz YQCIYDIVYFUMDX-GOSISDBHSA-N 1 2 349.862 3.504 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(F)c1F ZINC001143910632 1137213836 /nfs/dbraw/zinc/21/38/36/1137213836.db2.gz KUYMSLMPGOZYOG-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c(F)c1F ZINC001143910632 1137213838 /nfs/dbraw/zinc/21/38/38/1137213838.db2.gz KUYMSLMPGOZYOG-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(OC)c(F)c2F)cc(OC)c1 ZINC001143911200 1137214025 /nfs/dbraw/zinc/21/40/25/1137214025.db2.gz VIMYNBWNYWVXDT-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(OC)c(F)c2F)cc(OC)c1 ZINC001143911200 1137214026 /nfs/dbraw/zinc/21/40/26/1137214026.db2.gz VIMYNBWNYWVXDT-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Cc1c(CN2CC[NH+](Cc3ccncc3)CC2)cccc1C(F)(F)F ZINC001143924333 1137215680 /nfs/dbraw/zinc/21/56/80/1137215680.db2.gz DVYNLVGYICNJML-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Cc1nc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)nc2ccccc12 ZINC000844383392 1137215888 /nfs/dbraw/zinc/21/58/88/1137215888.db2.gz UGSGXNBPISINLT-UHFFFAOYSA-N 1 2 339.336 3.805 20 0 EHADLO Cc1cc(NC(=O)C2([C@@H]3CCCCO3)CCC2)ccc1-n1cc[nH+]c1 ZINC001143939955 1137216599 /nfs/dbraw/zinc/21/65/99/1137216599.db2.gz QZNAOIYJPALYLQ-SFHVURJKSA-N 1 2 339.439 3.859 20 0 EHADLO Cc1cc(NC(=O)CCc2ccc3c(c2)CCO3)ccc1-n1cc[nH+]c1 ZINC001143939886 1137216640 /nfs/dbraw/zinc/21/66/40/1137216640.db2.gz QBFWYEMVENAQDA-UHFFFAOYSA-N 1 2 347.418 3.687 20 0 EHADLO Fc1ccc(Cl)c(CN2CC[NH+](Cc3ccco3)CC2)c1F ZINC001143956776 1137218554 /nfs/dbraw/zinc/21/85/54/1137218554.db2.gz DLBJKWKJCPVIGL-UHFFFAOYSA-N 1 2 326.774 3.529 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000339067249 1137220683 /nfs/dbraw/zinc/22/06/83/1137220683.db2.gz LIARPIKCKNAMEJ-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451071 1137221265 /nfs/dbraw/zinc/22/12/65/1137221265.db2.gz IVCIWGOXLQJSNS-IXDOHACOSA-N 1 2 328.362 3.563 20 0 EHADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451071 1137221266 /nfs/dbraw/zinc/22/12/66/1137221266.db2.gz IVCIWGOXLQJSNS-IXDOHACOSA-N 1 2 328.362 3.563 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CCC4(CCC4)C3)c2=S)cc1 ZINC000794634070 1137221865 /nfs/dbraw/zinc/22/18/65/1137221865.db2.gz YLQFCGFFMRXCCC-UHFFFAOYSA-N 1 2 344.484 3.554 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CCC4(CCC4)C3)c2=S)cc1 ZINC000794634070 1137221866 /nfs/dbraw/zinc/22/18/66/1137221866.db2.gz YLQFCGFFMRXCCC-UHFFFAOYSA-N 1 2 344.484 3.554 20 0 EHADLO CC[C@@]1(C)CC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794632376 1137221923 /nfs/dbraw/zinc/22/19/23/1137221923.db2.gz PUDYJPBJKFJTJE-SFHVURJKSA-N 1 2 346.500 3.800 20 0 EHADLO CC[C@@]1(C)CC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794632376 1137221925 /nfs/dbraw/zinc/22/19/25/1137221925.db2.gz PUDYJPBJKFJTJE-SFHVURJKSA-N 1 2 346.500 3.800 20 0 EHADLO C[C@H](CC(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000844489051 1137228144 /nfs/dbraw/zinc/22/81/44/1137228144.db2.gz HJIBCSFZDMAVRU-RISCZKNCSA-N 1 2 344.308 3.690 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1)n1cc[nH+]c1 ZINC000844513688 1137232493 /nfs/dbraw/zinc/23/24/93/1137232493.db2.gz VRJVGYZTWPQAKB-GHMZBOCLSA-N 1 2 327.306 3.552 20 0 EHADLO CC1=CCC[N@H+](Cn2c(=S)n(-c3ccccc3)nc2C2CC2)C1 ZINC000797822194 1137239895 /nfs/dbraw/zinc/23/98/95/1137239895.db2.gz LXRYFOIQSAFIHL-UHFFFAOYSA-N 1 2 326.469 3.890 20 0 EHADLO CC1=CCC[N@@H+](Cn2c(=S)n(-c3ccccc3)nc2C2CC2)C1 ZINC000797822194 1137239896 /nfs/dbraw/zinc/23/98/96/1137239896.db2.gz LXRYFOIQSAFIHL-UHFFFAOYSA-N 1 2 326.469 3.890 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1F ZINC001144135641 1137242644 /nfs/dbraw/zinc/24/26/44/1137242644.db2.gz XSYNRIIOGPPDHT-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1F ZINC001144135641 1137242645 /nfs/dbraw/zinc/24/26/45/1137242645.db2.gz XSYNRIIOGPPDHT-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171147137 1137245839 /nfs/dbraw/zinc/24/58/39/1137245839.db2.gz CJNHFZNHSXDFGF-CYBMUJFWSA-N 1 2 342.266 3.926 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000844680344 1137246425 /nfs/dbraw/zinc/24/64/25/1137246425.db2.gz ZEABQFPSXGBJNM-HNNXBMFYSA-N 1 2 341.480 3.936 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000844680344 1137246426 /nfs/dbraw/zinc/24/64/26/1137246426.db2.gz ZEABQFPSXGBJNM-HNNXBMFYSA-N 1 2 341.480 3.936 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700763 1137248555 /nfs/dbraw/zinc/24/85/55/1137248555.db2.gz NVAUCDMUMGSHLL-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700763 1137248556 /nfs/dbraw/zinc/24/85/56/1137248556.db2.gz NVAUCDMUMGSHLL-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@]34CCC[C@H]3OCC4)c2)[nH+]c1C ZINC000864989341 1137256878 /nfs/dbraw/zinc/25/68/78/1137256878.db2.gz UXPLXNGFAIWYJX-APWZRJJASA-N 1 2 325.412 3.591 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140916 1137264868 /nfs/dbraw/zinc/26/48/68/1137264868.db2.gz LOLKBTFZTOKZSH-NSHDSACASA-N 1 2 346.843 3.693 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cn1 ZINC000339072261 1137276144 /nfs/dbraw/zinc/27/61/44/1137276144.db2.gz VNWCVSWFVCAKKN-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865401921 1137279765 /nfs/dbraw/zinc/27/97/65/1137279765.db2.gz DNYYTXNOYCTVJC-UHFFFAOYSA-N 1 2 331.485 3.786 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144382240 1137281630 /nfs/dbraw/zinc/28/16/30/1137281630.db2.gz TUADBHHJGZIQJP-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144382240 1137281632 /nfs/dbraw/zinc/28/16/32/1137281632.db2.gz TUADBHHJGZIQJP-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1cc(Br)ccc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845287050 1137283777 /nfs/dbraw/zinc/28/37/77/1137283777.db2.gz ZMXHTWQMRDGGCM-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000845286615 1137283849 /nfs/dbraw/zinc/28/38/49/1137283849.db2.gz QUVGACUWKRJHSS-VXGBXAGGSA-N 1 2 337.217 3.901 20 0 EHADLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001144478689 1137298110 /nfs/dbraw/zinc/29/81/10/1137298110.db2.gz LYLJHJRVRYZAQX-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC1(c2cccc(F)c2Cl)CC1 ZINC000845552824 1137299037 /nfs/dbraw/zinc/29/90/37/1137299037.db2.gz PBRRECQOJVVDSZ-UHFFFAOYSA-N 1 2 348.805 3.787 20 0 EHADLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC001144488200 1137299913 /nfs/dbraw/zinc/29/99/13/1137299913.db2.gz WENQWEAYYXYWEN-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO O=C(OCC[C@H]1CC1(Cl)Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000845752134 1137308459 /nfs/dbraw/zinc/30/84/59/1137308459.db2.gz KYMZYXPYGNIXGM-AWEZNQCLSA-N 1 2 339.222 3.672 20 0 EHADLO CC[C@H](COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)CC(F)F ZINC000845762866 1137309409 /nfs/dbraw/zinc/30/94/09/1137309409.db2.gz LWJMPGVJXMZITR-JTQLQIEISA-N 1 2 346.324 3.848 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000865786366 1137311617 /nfs/dbraw/zinc/31/16/17/1137311617.db2.gz AZJLDXWOOADCDJ-UHFFFAOYSA-N 1 2 328.359 3.662 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(F)cc1Br ZINC001144582964 1137312503 /nfs/dbraw/zinc/31/25/03/1137312503.db2.gz APKADOWTIVEFEF-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)c(F)cc1Br ZINC001144582964 1137312505 /nfs/dbraw/zinc/31/25/05/1137312505.db2.gz APKADOWTIVEFEF-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000120773415 1137317111 /nfs/dbraw/zinc/31/71/11/1137317111.db2.gz OWHNJLDDKISUME-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000120773415 1137317113 /nfs/dbraw/zinc/31/71/13/1137317113.db2.gz OWHNJLDDKISUME-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO C[N@H+](CCOc1ccccc1C(C)(C)C)Cn1cccnc1=S ZINC000794880779 1137319898 /nfs/dbraw/zinc/31/98/98/1137319898.db2.gz HRZBTOMVQOVOBW-UHFFFAOYSA-N 1 2 331.485 3.878 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cn1cccnc1=S ZINC000794880779 1137319900 /nfs/dbraw/zinc/31/99/00/1137319900.db2.gz HRZBTOMVQOVOBW-UHFFFAOYSA-N 1 2 331.485 3.878 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794892057 1137325493 /nfs/dbraw/zinc/32/54/93/1137325493.db2.gz JQWSFHLLASNYPD-KRWDZBQOSA-N 1 2 334.464 3.503 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794892057 1137325495 /nfs/dbraw/zinc/32/54/95/1137325495.db2.gz JQWSFHLLASNYPD-KRWDZBQOSA-N 1 2 334.464 3.503 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1F ZINC000846012623 1137325681 /nfs/dbraw/zinc/32/56/81/1137325681.db2.gz GHAMPTKUSZONFV-OTYXRUKQSA-N 1 2 329.202 3.739 20 0 EHADLO C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2sccc2C(=O)[O-])CC1 ZINC001144678351 1137328244 /nfs/dbraw/zinc/32/82/44/1137328244.db2.gz WVKMQZFVYJJYLO-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2sccc2C(=O)[O-])CC1 ZINC001144678351 1137328246 /nfs/dbraw/zinc/32/82/46/1137328246.db2.gz WVKMQZFVYJJYLO-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO Fc1cccc(CN2CC[NH+](Cc3ccc4scnc4c3)CC2)c1 ZINC001144736953 1137340977 /nfs/dbraw/zinc/34/09/77/1137340977.db2.gz HVLKSNTVOFSIRA-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3ccc4scnc4c3)CC2)c1 ZINC001144736953 1137340979 /nfs/dbraw/zinc/34/09/79/1137340979.db2.gz HVLKSNTVOFSIRA-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC2(CCc3ccccc3C2)CC1 ZINC000846292381 1137345852 /nfs/dbraw/zinc/34/58/52/1137345852.db2.gz TYFNQFUZRLEDKG-UHFFFAOYSA-N 1 2 345.446 3.746 20 0 EHADLO Cn1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(-c2ccccc2)n1 ZINC000866335916 1137346566 /nfs/dbraw/zinc/34/65/66/1137346566.db2.gz MLUMRKDWRXIMKL-PXNSSMCTSA-N 1 2 337.398 3.649 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000121021428 1137347564 /nfs/dbraw/zinc/34/75/64/1137347564.db2.gz DQJGWXZLQKQIKV-DEQJRXDXSA-N 1 2 342.826 3.818 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cnc4ccccc4c3)c[nH+]2)C[C@@H](C)O1 ZINC000772940006 1137354814 /nfs/dbraw/zinc/35/48/14/1137354814.db2.gz TVTMXCHKEDGDGK-HZPDHXFCSA-N 1 2 348.450 3.856 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cnc4ccccc4c3)c[nH+]2)C[C@H](C)O1 ZINC000772940008 1137354958 /nfs/dbraw/zinc/35/49/58/1137354958.db2.gz TVTMXCHKEDGDGK-IYBDPMFKSA-N 1 2 348.450 3.856 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000846660532 1137360791 /nfs/dbraw/zinc/36/07/91/1137360791.db2.gz GXDOCOQNXDMSIR-INIZCTEOSA-N 1 2 340.471 3.711 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846825409 1137367027 /nfs/dbraw/zinc/36/70/27/1137367027.db2.gz VFSXWXSJGVHFMB-CQSZACIVSA-N 1 2 341.484 3.848 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846825409 1137367029 /nfs/dbraw/zinc/36/70/29/1137367029.db2.gz VFSXWXSJGVHFMB-CQSZACIVSA-N 1 2 341.484 3.848 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cnsn3)s2)cc1 ZINC000846854235 1137372253 /nfs/dbraw/zinc/37/22/53/1137372253.db2.gz CWAVMTNRGQVZRC-JTQLQIEISA-N 1 2 346.481 3.829 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2nonc2c1)c1nc(C(F)(F)F)cs1 ZINC000846880700 1137373296 /nfs/dbraw/zinc/37/32/96/1137373296.db2.gz YKKCVOLWJRKSOR-ZETCQYMHSA-N 1 2 328.319 3.549 20 0 EHADLO CC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000846950770 1137378368 /nfs/dbraw/zinc/37/83/68/1137378368.db2.gz MBXLLAQPXLFCSM-NSHDSACASA-N 1 2 333.819 3.752 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846952312 1137378479 /nfs/dbraw/zinc/37/84/79/1137378479.db2.gz MHRJIRRKSHUKPY-GJZGRUSLSA-N 1 2 330.472 3.828 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1 ZINC000867844075 1137387959 /nfs/dbraw/zinc/38/79/59/1137387959.db2.gz PUTXDDNWCSBJNK-HNNXBMFYSA-N 1 2 348.450 3.799 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnccc1C(F)(F)F ZINC001147260305 1137403491 /nfs/dbraw/zinc/40/34/91/1137403491.db2.gz ZVVJQDOWCZDIAN-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)Cc1ccccc1Cl ZINC001147563416 1137410012 /nfs/dbraw/zinc/41/00/12/1137410012.db2.gz CRUWZSUKIGDPNB-YQQAZPJKSA-N 1 2 334.891 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)Cc1ccccc1Cl ZINC001147563416 1137410013 /nfs/dbraw/zinc/41/00/13/1137410013.db2.gz CRUWZSUKIGDPNB-YQQAZPJKSA-N 1 2 334.891 3.714 20 0 EHADLO CC[N@H+](CC(=O)NCc1c(C)cccc1F)Cc1ccccc1Cl ZINC001147888468 1137413842 /nfs/dbraw/zinc/41/38/42/1137413842.db2.gz OENONBVHPQWEDE-UHFFFAOYSA-N 1 2 348.849 3.926 20 0 EHADLO CC[N@@H+](CC(=O)NCc1c(C)cccc1F)Cc1ccccc1Cl ZINC001147888468 1137413843 /nfs/dbraw/zinc/41/38/43/1137413843.db2.gz OENONBVHPQWEDE-UHFFFAOYSA-N 1 2 348.849 3.926 20 0 EHADLO C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1 ZINC001148724045 1137432293 /nfs/dbraw/zinc/43/22/93/1137432293.db2.gz MAFMBNMNNSIJIP-SJORKVTESA-N 1 2 333.435 3.723 20 0 EHADLO C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1 ZINC001148724043 1137432307 /nfs/dbraw/zinc/43/23/07/1137432307.db2.gz MAFMBNMNNSIJIP-IAGOWNOFSA-N 1 2 333.435 3.723 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1O ZINC001148790467 1137433697 /nfs/dbraw/zinc/43/36/97/1137433697.db2.gz LCKWBHTUDJPFLK-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1sccc1F ZINC000339088334 1137436827 /nfs/dbraw/zinc/43/68/27/1137436827.db2.gz ISBDOMOSOGKJDA-UHFFFAOYSA-N 1 2 325.434 3.582 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)Cc1ccncc1 ZINC000348129236 1137443845 /nfs/dbraw/zinc/44/38/45/1137443845.db2.gz RJBCNXIFTNUNSA-HXUWFJFHSA-N 1 2 339.483 3.807 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)Cc1ccncc1 ZINC000348129236 1137443846 /nfs/dbraw/zinc/44/38/46/1137443846.db2.gz RJBCNXIFTNUNSA-HXUWFJFHSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000348129894 1137444084 /nfs/dbraw/zinc/44/40/84/1137444084.db2.gz YVFADKWEIHWWBV-SFHVURJKSA-N 1 2 344.430 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000348129894 1137444085 /nfs/dbraw/zinc/44/40/85/1137444085.db2.gz YVFADKWEIHWWBV-SFHVURJKSA-N 1 2 344.430 3.635 20 0 EHADLO C=Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282773638 1137447965 /nfs/dbraw/zinc/44/79/65/1137447965.db2.gz LRUYQRCLORPPMW-SFHVURJKSA-N 1 2 335.451 3.882 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c(C)s1 ZINC000773016617 1137459564 /nfs/dbraw/zinc/45/95/64/1137459564.db2.gz QKCNCZJNIUOTCL-LRDDRELGSA-N 1 2 329.469 3.524 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380958 1137464614 /nfs/dbraw/zinc/46/46/14/1137464614.db2.gz PUFGQUAQPJEPNH-YOEHRIQHSA-N 1 2 337.410 3.628 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380958 1137464615 /nfs/dbraw/zinc/46/46/15/1137464615.db2.gz PUFGQUAQPJEPNH-YOEHRIQHSA-N 1 2 337.410 3.628 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870128422 1137477981 /nfs/dbraw/zinc/47/79/81/1137477981.db2.gz PYJJFFQFFJYHNW-INIZCTEOSA-N 1 2 341.455 3.625 20 0 EHADLO CC(C)c1cc(NCc2ccc(-n3cccn3)nc2)nc(C(C)C)[nH+]1 ZINC001171433673 1137481485 /nfs/dbraw/zinc/48/14/85/1137481485.db2.gz URPDDMUMPJAVSA-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000773306772 1137488917 /nfs/dbraw/zinc/48/89/17/1137488917.db2.gz GXHMYFHOPJBCFB-UHFFFAOYSA-N 1 2 344.361 3.710 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601823 1137500243 /nfs/dbraw/zinc/50/02/43/1137500243.db2.gz MFOHHJBOHOEMNF-BYNSBNAKSA-N 1 2 346.462 3.792 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601823 1137500245 /nfs/dbraw/zinc/50/02/45/1137500245.db2.gz MFOHHJBOHOEMNF-BYNSBNAKSA-N 1 2 346.462 3.792 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001171777580 1137510214 /nfs/dbraw/zinc/51/02/14/1137510214.db2.gz CBTMXEUXVZFRHA-INIZCTEOSA-N 1 2 339.483 3.750 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001171777580 1137510216 /nfs/dbraw/zinc/51/02/16/1137510216.db2.gz CBTMXEUXVZFRHA-INIZCTEOSA-N 1 2 339.483 3.750 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCc3sccc32)c1C ZINC000123360765 1137514028 /nfs/dbraw/zinc/51/40/28/1137514028.db2.gz DSEOCCSDRXRNTF-AWEZNQCLSA-N 1 2 330.453 3.505 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001171961138 1137519561 /nfs/dbraw/zinc/51/95/61/1137519561.db2.gz QMLWXFBPCBHTSP-LBPRGKRZSA-N 1 2 329.362 3.712 20 0 EHADLO CCC1(CC)CCC[N@@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001171949093 1137522404 /nfs/dbraw/zinc/52/24/04/1137522404.db2.gz MJLOPJKGVPYQDV-GOSISDBHSA-N 1 2 349.471 3.820 20 0 EHADLO CCC1(CC)CCC[N@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001171949093 1137522405 /nfs/dbraw/zinc/52/24/05/1137522405.db2.gz MJLOPJKGVPYQDV-GOSISDBHSA-N 1 2 349.471 3.820 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1n[nH]c(C2CC2)c1-c1ccccc1 ZINC000871144650 1137523655 /nfs/dbraw/zinc/52/36/55/1137523655.db2.gz PADGVOHYJXXHSF-UHFFFAOYSA-N 1 2 335.411 3.570 20 0 EHADLO Cc1c[nH+]c(CCSCCCS(=O)(=O)C(C)(C)C)c(C)c1 ZINC000871707699 1137555206 /nfs/dbraw/zinc/55/52/06/1137555206.db2.gz SCISCESJKOBPNM-UHFFFAOYSA-N 1 2 329.531 3.578 20 0 EHADLO C/C=C/c1ccc(OC[C@@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871990131 1137564194 /nfs/dbraw/zinc/56/41/94/1137564194.db2.gz XJGHSWWYBZGHEM-MOEXGYKKSA-N 1 2 344.455 3.662 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000888591981 1137564407 /nfs/dbraw/zinc/56/44/07/1137564407.db2.gz MLEGQUJKAHULPF-CYBMUJFWSA-N 1 2 345.830 3.814 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCOC4(CCCC4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000872059141 1137568700 /nfs/dbraw/zinc/56/87/00/1137568700.db2.gz FFRUQSGEBXJWHI-BRWVUGGUSA-N 1 2 345.487 3.599 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(O)c1F ZINC000872059814 1137568730 /nfs/dbraw/zinc/56/87/30/1137568730.db2.gz LGOTXPIXBOBNRG-HZSPNIEDSA-N 1 2 345.418 3.713 20 0 EHADLO Cc1cc([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1N1CCOCC1 ZINC000872061621 1137569069 /nfs/dbraw/zinc/56/90/69/1137569069.db2.gz ZZJLZEVUDDSMMQ-IEBWSBKVSA-N 1 2 332.488 3.837 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000872138411 1137573760 /nfs/dbraw/zinc/57/37/60/1137573760.db2.gz VSICFJXQTSNRIW-ZETCQYMHSA-N 1 2 330.613 3.645 20 0 EHADLO [NH3+][C@H](c1nc(CCC(F)(F)F)no1)c1ccc(C(F)(F)F)cc1 ZINC000872173156 1137575278 /nfs/dbraw/zinc/57/52/78/1137575278.db2.gz LWGPCZZOPWXUSD-JTQLQIEISA-N 1 2 339.239 3.631 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000872804292 1137584745 /nfs/dbraw/zinc/58/47/45/1137584745.db2.gz JMCVYRVROVTEOO-HIFRSBDPSA-N 1 2 346.780 3.845 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000872804292 1137584746 /nfs/dbraw/zinc/58/47/46/1137584746.db2.gz JMCVYRVROVTEOO-HIFRSBDPSA-N 1 2 346.780 3.845 20 0 EHADLO C[C@H](C[N@H+](C)Cn1ncn(CCc2ccccn2)c1=S)C(C)(C)C ZINC000872819323 1137585068 /nfs/dbraw/zinc/58/50/68/1137585068.db2.gz XUJVEVGXRBJMBS-OAHLLOKOSA-N 1 2 347.532 3.623 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1ncn(CCc2ccccn2)c1=S)C(C)(C)C ZINC000872819323 1137585069 /nfs/dbraw/zinc/58/50/69/1137585069.db2.gz XUJVEVGXRBJMBS-OAHLLOKOSA-N 1 2 347.532 3.623 20 0 EHADLO CN(C)c1cc(COC(=O)Cc2csc(C3CCCC3)n2)cc[nH+]1 ZINC000873460426 1137600285 /nfs/dbraw/zinc/60/02/85/1137600285.db2.gz BIYQAIOJCKMDSY-UHFFFAOYSA-N 1 2 345.468 3.548 20 0 EHADLO O=C(Cc1csc(C2CCCC2)n1)OCc1cccc2[nH+]ccn21 ZINC000873512962 1137601440 /nfs/dbraw/zinc/60/14/40/1137601440.db2.gz SMSYWOIRMUSRRZ-UHFFFAOYSA-N 1 2 341.436 3.734 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1Br ZINC001137616663 1137629292 /nfs/dbraw/zinc/62/92/92/1137629292.db2.gz WGSDJSUACRMSCY-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1Br ZINC001137616663 1137629293 /nfs/dbraw/zinc/62/92/93/1137629293.db2.gz WGSDJSUACRMSCY-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H](C)c2ccccc2)[nH+]1 ZINC000125820577 1137646378 /nfs/dbraw/zinc/64/63/78/1137646378.db2.gz PTIGDIIOAAPLBT-KRWDZBQOSA-N 1 2 327.424 3.686 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000876221392 1137646392 /nfs/dbraw/zinc/64/63/92/1137646392.db2.gz GFWCABZLOJNRLA-HOCLYGCPSA-N 1 2 344.459 3.566 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876536388 1137654807 /nfs/dbraw/zinc/65/48/07/1137654807.db2.gz BJSUMEMBXDYJAE-UHFFFAOYSA-N 1 2 343.446 3.579 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876536388 1137654808 /nfs/dbraw/zinc/65/48/08/1137654808.db2.gz BJSUMEMBXDYJAE-UHFFFAOYSA-N 1 2 343.446 3.579 20 0 EHADLO CCCC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)[C@@H](C)c1ccc(C)o1 ZINC000876606769 1137656954 /nfs/dbraw/zinc/65/69/54/1137656954.db2.gz FFZTXLJRSFIMEE-WMZOPIPTSA-N 1 2 346.475 3.722 20 0 EHADLO CCCC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)[C@@H](C)c1ccc(C)o1 ZINC000876606769 1137656955 /nfs/dbraw/zinc/65/69/55/1137656955.db2.gz FFZTXLJRSFIMEE-WMZOPIPTSA-N 1 2 346.475 3.722 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nc(Cl)cs3)CCOCC2)c(F)c1 ZINC000877124238 1137670809 /nfs/dbraw/zinc/67/08/09/1137670809.db2.gz URNUAGQMTFCUOS-UHFFFAOYSA-N 1 2 344.814 3.870 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cc3c(ccnc3Cl)o2)c1 ZINC000877127371 1137670856 /nfs/dbraw/zinc/67/08/56/1137670856.db2.gz FYIIZWMZKNRGCL-UHFFFAOYSA-N 1 2 349.843 3.714 20 0 EHADLO CC(=O)NCC1CCC(Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000877543492 1137680721 /nfs/dbraw/zinc/68/07/21/1137680721.db2.gz CFQQRAKEYQDHQM-UHFFFAOYSA-N 1 2 340.471 3.596 20 0 EHADLO Cn1ncc2cc(C[N@@H+]3CCc4c(cccc4C(F)(F)F)C3)cnc21 ZINC000877656061 1137684607 /nfs/dbraw/zinc/68/46/07/1137684607.db2.gz VBKCVSVSKKPOON-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO Cn1ncc2cc(C[N@H+]3CCc4c(cccc4C(F)(F)F)C3)cnc21 ZINC000877656061 1137684608 /nfs/dbraw/zinc/68/46/08/1137684608.db2.gz VBKCVSVSKKPOON-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc([C@H](O)C(F)(F)F)cc2)c1C ZINC000877667315 1137685057 /nfs/dbraw/zinc/68/50/57/1137685057.db2.gz MUGFEXBOHUYTPD-INIZCTEOSA-N 1 2 340.345 3.915 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cs1 ZINC000877783986 1137689788 /nfs/dbraw/zinc/68/97/88/1137689788.db2.gz MEXXPKNDCDBWSX-ZDUSSCGKSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cs1 ZINC000877783986 1137689789 /nfs/dbraw/zinc/68/97/89/1137689789.db2.gz MEXXPKNDCDBWSX-ZDUSSCGKSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cs1 ZINC000877783986 1137689790 /nfs/dbraw/zinc/68/97/90/1137689790.db2.gz MEXXPKNDCDBWSX-ZDUSSCGKSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cs1 ZINC000877783986 1137689791 /nfs/dbraw/zinc/68/97/91/1137689791.db2.gz MEXXPKNDCDBWSX-ZDUSSCGKSA-N 1 2 334.489 3.516 20 0 EHADLO CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878013503 1137699601 /nfs/dbraw/zinc/69/96/01/1137699601.db2.gz JZCORDLQPBITER-AZUAARDMSA-N 1 2 325.456 3.764 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2O)o1)[C@H](C)c1cccc(O)c1 ZINC000878167812 1137705456 /nfs/dbraw/zinc/70/54/56/1137705456.db2.gz KHOHZQNZBHHFID-CYBMUJFWSA-N 1 2 339.395 3.731 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@H](C)c1cccc(O)c1 ZINC000878167812 1137705457 /nfs/dbraw/zinc/70/54/57/1137705457.db2.gz KHOHZQNZBHHFID-CYBMUJFWSA-N 1 2 339.395 3.731 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)c1ccccc1F ZINC000878189764 1137706611 /nfs/dbraw/zinc/70/66/11/1137706611.db2.gz BZKZMWXNNKEYHF-CRAIPNDOSA-N 1 2 345.414 3.970 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)c1ccccc1F ZINC000878189764 1137706612 /nfs/dbraw/zinc/70/66/12/1137706612.db2.gz BZKZMWXNNKEYHF-CRAIPNDOSA-N 1 2 345.414 3.970 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)C(C)C ZINC000878247966 1137708594 /nfs/dbraw/zinc/70/85/94/1137708594.db2.gz MFSUWIQTORVWQX-QGZVFWFLSA-N 1 2 338.411 3.633 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878340507 1137711362 /nfs/dbraw/zinc/71/13/62/1137711362.db2.gz MPOCTJCBXDXUEH-CQSZACIVSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878340507 1137711363 /nfs/dbraw/zinc/71/13/63/1137711363.db2.gz MPOCTJCBXDXUEH-CQSZACIVSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000878352600 1137712200 /nfs/dbraw/zinc/71/22/00/1137712200.db2.gz BNRBKTLZVIJSMW-ZDUSSCGKSA-N 1 2 339.439 3.753 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427294 1137715544 /nfs/dbraw/zinc/71/55/44/1137715544.db2.gz AAUJUAZCJKBTOF-SUMWQHHRSA-N 1 2 339.468 3.522 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427294 1137715545 /nfs/dbraw/zinc/71/55/45/1137715545.db2.gz AAUJUAZCJKBTOF-SUMWQHHRSA-N 1 2 339.468 3.522 20 0 EHADLO C[N@@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H](O)c1ccccc1 ZINC000878927541 1137732391 /nfs/dbraw/zinc/73/23/91/1137732391.db2.gz FDEVICJCYMOOHD-INIZCTEOSA-N 1 2 349.356 3.747 20 0 EHADLO C[N@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H](O)c1ccccc1 ZINC000878927541 1137732392 /nfs/dbraw/zinc/73/23/92/1137732392.db2.gz FDEVICJCYMOOHD-INIZCTEOSA-N 1 2 349.356 3.747 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997380 1137734722 /nfs/dbraw/zinc/73/47/22/1137734722.db2.gz DLDBQVYMQILVOQ-BBWFWOEESA-N 1 2 343.389 3.950 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997380 1137734723 /nfs/dbraw/zinc/73/47/23/1137734723.db2.gz DLDBQVYMQILVOQ-BBWFWOEESA-N 1 2 343.389 3.950 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000879025240 1137735640 /nfs/dbraw/zinc/73/56/40/1137735640.db2.gz VYUXABAOTDGFIH-OALUTQOASA-N 1 2 341.499 3.583 20 0 EHADLO Cc1cc(NC(=O)N2CCCSC[C@H]2c2ccccc2)c(C)c[nH+]1 ZINC000879074813 1137737076 /nfs/dbraw/zinc/73/70/76/1137737076.db2.gz AMXMSFWAZNODQL-SFHVURJKSA-N 1 2 341.480 3.832 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000879104203 1137737886 /nfs/dbraw/zinc/73/78/86/1137737886.db2.gz YYPLESJEXDWTKT-CQSZACIVSA-N 1 2 337.464 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000879104203 1137737887 /nfs/dbraw/zinc/73/78/87/1137737887.db2.gz YYPLESJEXDWTKT-CQSZACIVSA-N 1 2 337.464 3.506 20 0 EHADLO CC(C)Oc1ccccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137140781 1137737972 /nfs/dbraw/zinc/73/79/72/1137737972.db2.gz QBKRKMXKPOIHIY-GOSISDBHSA-N 1 2 338.442 3.779 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000879605305 1137752207 /nfs/dbraw/zinc/75/22/07/1137752207.db2.gz IVZIPCHCLZGNPR-MJGOQNOKSA-N 1 2 339.439 3.737 20 0 EHADLO COc1ccc([C@H]2C[N@H+](C[C@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636039 1137753044 /nfs/dbraw/zinc/75/30/44/1137753044.db2.gz FRQWAHCHHOJVQY-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](C[C@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636039 1137753045 /nfs/dbraw/zinc/75/30/45/1137753045.db2.gz FRQWAHCHHOJVQY-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015565 1137765618 /nfs/dbraw/zinc/76/56/18/1137765618.db2.gz JHOQZIMVVAUMOJ-YESZJQIVSA-N 1 2 341.904 3.548 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015565 1137765619 /nfs/dbraw/zinc/76/56/19/1137765619.db2.gz JHOQZIMVVAUMOJ-YESZJQIVSA-N 1 2 341.904 3.548 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880088768 1137767721 /nfs/dbraw/zinc/76/77/21/1137767721.db2.gz PQSSFHKARHKVHU-LBPRGKRZSA-N 1 2 328.412 3.689 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880088768 1137767722 /nfs/dbraw/zinc/76/77/22/1137767722.db2.gz PQSSFHKARHKVHU-LBPRGKRZSA-N 1 2 328.412 3.689 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000880175612 1137769817 /nfs/dbraw/zinc/76/98/17/1137769817.db2.gz BKIDHTCNJKVRDI-SFHVURJKSA-N 1 2 343.496 3.518 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000880175612 1137769818 /nfs/dbraw/zinc/76/98/18/1137769818.db2.gz BKIDHTCNJKVRDI-SFHVURJKSA-N 1 2 343.496 3.518 20 0 EHADLO C=Cc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000880212054 1137771134 /nfs/dbraw/zinc/77/11/34/1137771134.db2.gz DZCBJMVIDCDMDQ-MRXNPFEDSA-N 1 2 336.439 3.635 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000880373896 1137777111 /nfs/dbraw/zinc/77/71/11/1137777111.db2.gz WXAWCSHJWFKUOB-INIZCTEOSA-N 1 2 341.402 3.861 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000880373896 1137777112 /nfs/dbraw/zinc/77/71/12/1137777112.db2.gz WXAWCSHJWFKUOB-INIZCTEOSA-N 1 2 341.402 3.861 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@H](CO)c1ccccc1 ZINC000880459562 1137779071 /nfs/dbraw/zinc/77/90/71/1137779071.db2.gz GZXKPUGROKIPOH-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@H](CO)c1ccccc1 ZINC000880459562 1137779072 /nfs/dbraw/zinc/77/90/72/1137779072.db2.gz GZXKPUGROKIPOH-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC3(CCCCO3)CC2)c(Cl)c1 ZINC000880457345 1137779169 /nfs/dbraw/zinc/77/91/69/1137779169.db2.gz MGZBFNCTKDCVLD-UHFFFAOYSA-N 1 2 336.863 3.622 20 0 EHADLO CO[C@H](C)c1nc(CN[C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569093 1137781384 /nfs/dbraw/zinc/78/13/84/1137781384.db2.gz IMPVXOPAFLYGJV-RHSMWYFYSA-N 1 2 342.468 3.578 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](O)c2cc(C)cc(C)c2)n1 ZINC000128530041 1137782779 /nfs/dbraw/zinc/78/27/79/1137782779.db2.gz WOROXCHNTFWFOQ-ZBFHGGJFSA-N 1 2 349.500 3.666 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2cc(C)cc(C)c2)n1 ZINC000128530041 1137782780 /nfs/dbraw/zinc/78/27/80/1137782780.db2.gz WOROXCHNTFWFOQ-ZBFHGGJFSA-N 1 2 349.500 3.666 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCc2ccccc21 ZINC000626133944 1137785384 /nfs/dbraw/zinc/78/53/84/1137785384.db2.gz XLSPKNXSERGZBL-YOEHRIQHSA-N 1 2 342.487 3.627 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCc2ccccc21 ZINC000626133944 1137785385 /nfs/dbraw/zinc/78/53/85/1137785385.db2.gz XLSPKNXSERGZBL-YOEHRIQHSA-N 1 2 342.487 3.627 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000880775762 1137789163 /nfs/dbraw/zinc/78/91/63/1137789163.db2.gz QBEIIKOCQZATDN-ZDUSSCGKSA-N 1 2 348.397 3.943 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000880857492 1137791580 /nfs/dbraw/zinc/79/15/80/1137791580.db2.gz XIURWKRYEUCKJD-UHFFFAOYSA-N 1 2 325.412 3.906 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135426 1137796014 /nfs/dbraw/zinc/79/60/14/1137796014.db2.gz ZKMHJTAZCNOTQY-RHSMWYFYSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135426 1137796015 /nfs/dbraw/zinc/79/60/15/1137796015.db2.gz ZKMHJTAZCNOTQY-RHSMWYFYSA-N 1 2 329.444 3.717 20 0 EHADLO FC(F)c1cc(Nc2ccc([NH+]3CCCCC3)cc2)n2ncnc2n1 ZINC000881736719 1137815113 /nfs/dbraw/zinc/81/51/13/1137815113.db2.gz YFYAKBAELMITOE-UHFFFAOYSA-N 1 2 344.369 3.796 20 0 EHADLO CC(C)(C)c1csc(CC2(O)CCN(c3cc[nH+]cc3F)CC2)n1 ZINC000882702452 1137832025 /nfs/dbraw/zinc/83/20/25/1137832025.db2.gz ABWFRVUEOSTYKA-UHFFFAOYSA-N 1 2 349.475 3.549 20 0 EHADLO CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000882837718 1137835607 /nfs/dbraw/zinc/83/56/07/1137835607.db2.gz OXFPCSBHPPWRNJ-GOSISDBHSA-N 1 2 326.444 3.599 20 0 EHADLO CC(C)n1cc(C[NH2+]Cc2cc3cc(Br)ccc3o2)nn1 ZINC000883279814 1137852218 /nfs/dbraw/zinc/85/22/18/1137852218.db2.gz HELQMPOPNUDDCS-UHFFFAOYSA-N 1 2 349.232 3.658 20 0 EHADLO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCn1cc[nH+]c1 ZINC000065515616 1137853000 /nfs/dbraw/zinc/85/30/00/1137853000.db2.gz TXWJPGLUVWCDFQ-UHFFFAOYSA-N 1 2 342.468 3.562 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)c(Cl)n1 ZINC000883291371 1137853024 /nfs/dbraw/zinc/85/30/24/1137853024.db2.gz CCFJMDDRLGSJSK-UHFFFAOYSA-N 1 2 327.259 3.844 20 0 EHADLO C[C@@H]([NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21)c1cscn1 ZINC000883385203 1137858724 /nfs/dbraw/zinc/85/87/24/1137858724.db2.gz HIJCZERSMFIBIN-HIFRSBDPSA-N 1 2 330.453 3.867 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC2CCC2)C[C@H](C)O1 ZINC000131766634 1137860279 /nfs/dbraw/zinc/86/02/79/1137860279.db2.gz DTYRSGQYDHHOOU-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC2CCC2)C[C@H](C)O1 ZINC000131766634 1137860280 /nfs/dbraw/zinc/86/02/80/1137860280.db2.gz DTYRSGQYDHHOOU-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000883525522 1137862665 /nfs/dbraw/zinc/86/26/65/1137862665.db2.gz HPJOUMIORKXMPG-FQEVSTJZSA-N 1 2 334.423 3.555 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000626183023 1137869604 /nfs/dbraw/zinc/86/96/04/1137869604.db2.gz KTBXQASGXRMOBV-UHFFFAOYSA-N 1 2 345.752 3.718 20 0 EHADLO CC1(C)C[C@@]1(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000883817956 1137872253 /nfs/dbraw/zinc/87/22/53/1137872253.db2.gz HWIXMZDGZOQGAH-FQEVSTJZSA-N 1 2 344.503 3.545 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000103311502 1137875942 /nfs/dbraw/zinc/87/59/42/1137875942.db2.gz QTXGJJXISVPGTJ-UHFFFAOYSA-N 1 2 340.471 3.516 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)(C)c1ccccc1 ZINC000103314936 1137875965 /nfs/dbraw/zinc/87/59/65/1137875965.db2.gz RIIQXXKBUKHEHV-MRXNPFEDSA-N 1 2 340.471 3.596 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC001202561293 1137876254 /nfs/dbraw/zinc/87/62/54/1137876254.db2.gz DRXDFLXHNFRKJI-GOSISDBHSA-N 1 2 344.480 3.610 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001202561293 1137876255 /nfs/dbraw/zinc/87/62/55/1137876255.db2.gz DRXDFLXHNFRKJI-GOSISDBHSA-N 1 2 344.480 3.610 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(Cl)c1 ZINC000348271056 1137891433 /nfs/dbraw/zinc/89/14/33/1137891433.db2.gz VTYSUAJCYPEOGF-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1Cl ZINC000348271688 1137891538 /nfs/dbraw/zinc/89/15/38/1137891538.db2.gz YVLXJJGDUYLDDV-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000133495506 1137894517 /nfs/dbraw/zinc/89/45/17/1137894517.db2.gz JFRHJFAXWFIGSJ-GOSISDBHSA-N 1 2 343.496 3.602 20 0 EHADLO Cc1cnc(=S)n(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000133495506 1137894518 /nfs/dbraw/zinc/89/45/18/1137894518.db2.gz JFRHJFAXWFIGSJ-GOSISDBHSA-N 1 2 343.496 3.602 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000111376618 1137904581 /nfs/dbraw/zinc/90/45/81/1137904581.db2.gz JXTJNXQPWUGYDG-VHSXEESVSA-N 1 2 339.411 3.662 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111901651 1137906103 /nfs/dbraw/zinc/90/61/03/1137906103.db2.gz FGBOBPRMBDDDJQ-MOPGFXCFSA-N 1 2 338.455 3.566 20 0 EHADLO CSc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000112277158 1137906979 /nfs/dbraw/zinc/90/69/79/1137906979.db2.gz FHJBDEBDODUZQS-UHFFFAOYSA-N 1 2 337.470 3.696 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644564 1137915851 /nfs/dbraw/zinc/91/58/51/1137915851.db2.gz QZCUIJODVDPKRC-CZUORRHYSA-N 1 2 329.444 3.959 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644564 1137915852 /nfs/dbraw/zinc/91/58/52/1137915852.db2.gz QZCUIJODVDPKRC-CZUORRHYSA-N 1 2 329.444 3.959 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000348302216 1137920109 /nfs/dbraw/zinc/92/01/09/1137920109.db2.gz BHOOXFTWWAWZFV-UHFFFAOYSA-N 1 2 346.471 3.638 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000348302216 1137920110 /nfs/dbraw/zinc/92/01/10/1137920110.db2.gz BHOOXFTWWAWZFV-UHFFFAOYSA-N 1 2 346.471 3.638 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000331800292 1137921339 /nfs/dbraw/zinc/92/13/39/1137921339.db2.gz WZWJLKWARDNHME-LLVKDONJSA-N 1 2 333.461 3.575 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000331883530 1137924473 /nfs/dbraw/zinc/92/44/73/1137924473.db2.gz DDIUARFSABFMIG-ZDUSSCGKSA-N 1 2 332.835 3.712 20 0 EHADLO CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000332068780 1137930701 /nfs/dbraw/zinc/93/07/01/1137930701.db2.gz VGFUTAQJNWHWEX-MRXNPFEDSA-N 1 2 341.459 3.982 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000119584870 1137942959 /nfs/dbraw/zinc/94/29/59/1137942959.db2.gz XOHKKKUBZGKXAJ-SFHVURJKSA-N 1 2 344.434 3.595 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c1C ZINC000120224565 1137947545 /nfs/dbraw/zinc/94/75/45/1137947545.db2.gz PLTNTBDAZGWRMN-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c1C ZINC000120224565 1137947546 /nfs/dbraw/zinc/94/75/46/1137947546.db2.gz PLTNTBDAZGWRMN-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1SC ZINC000348319420 1137949267 /nfs/dbraw/zinc/94/92/67/1137949267.db2.gz MIQKAGZHRICMLM-UHFFFAOYSA-N 1 2 342.508 3.889 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000348319420 1137949268 /nfs/dbraw/zinc/94/92/68/1137949268.db2.gz MIQKAGZHRICMLM-UHFFFAOYSA-N 1 2 342.508 3.889 20 0 EHADLO COc1cccc2c1CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C2 ZINC000332640917 1137949901 /nfs/dbraw/zinc/94/99/01/1137949901.db2.gz XAVVDQCJDZGERX-UHFFFAOYSA-N 1 2 325.412 3.606 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000120720823 1137952090 /nfs/dbraw/zinc/95/20/90/1137952090.db2.gz HLLAOYGMLJDWPH-SCLBCKFNSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000120720823 1137952091 /nfs/dbraw/zinc/95/20/91/1137952091.db2.gz HLLAOYGMLJDWPH-SCLBCKFNSA-N 1 2 330.453 3.669 20 0 EHADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000333086615 1137954994 /nfs/dbraw/zinc/95/49/94/1137954994.db2.gz BRVSRVCPFSRXRS-CQSZACIVSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333086615 1137954995 /nfs/dbraw/zinc/95/49/95/1137954995.db2.gz BRVSRVCPFSRXRS-CQSZACIVSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333086615 1137954996 /nfs/dbraw/zinc/95/49/96/1137954996.db2.gz BRVSRVCPFSRXRS-CQSZACIVSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1csc2nc(C)nc(NCc3cc[nH+]c(N4CCCC4)c3)c12 ZINC000121125912 1137955404 /nfs/dbraw/zinc/95/54/04/1137955404.db2.gz CBDZEXDWBQUCDP-UHFFFAOYSA-N 1 2 339.468 3.915 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333132609 1137956280 /nfs/dbraw/zinc/95/62/80/1137956280.db2.gz IYIIVIXUFNTIFQ-WBVHZDCISA-N 1 2 344.503 3.687 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333178741 1137957420 /nfs/dbraw/zinc/95/74/20/1137957420.db2.gz RUGVIFAGACCFPC-BHYGNILZSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333178741 1137957421 /nfs/dbraw/zinc/95/74/21/1137957421.db2.gz RUGVIFAGACCFPC-BHYGNILZSA-N 1 2 330.476 3.658 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOC3(C2)CCCCCC3)c(C)[nH+]1 ZINC000333195195 1137957871 /nfs/dbraw/zinc/95/78/71/1137957871.db2.gz PINGIRZPYURDEI-UHFFFAOYSA-N 1 2 331.460 3.964 20 0 EHADLO O=C(NCC1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333213164 1137958384 /nfs/dbraw/zinc/95/83/84/1137958384.db2.gz DDGNOHHUONICED-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO CCn1ccnc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000135492601 1137971237 /nfs/dbraw/zinc/97/12/37/1137971237.db2.gz OJNOIYPQBNUFPO-NRFANRHFSA-N 1 2 349.478 3.947 20 0 EHADLO CCn1ccnc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000135492601 1137971238 /nfs/dbraw/zinc/97/12/38/1137971238.db2.gz OJNOIYPQBNUFPO-NRFANRHFSA-N 1 2 349.478 3.947 20 0 EHADLO OCC[C@H](Nc1[nH+]ccc2cc(Br)ccc21)C(F)(F)F ZINC000884833407 1137975833 /nfs/dbraw/zinc/97/58/33/1137975833.db2.gz KDFBAIPSZGWPAE-NSHDSACASA-N 1 2 349.150 3.723 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]Cc3cnc(C)s3)cs2)cc1 ZINC001649171754 1138020711 /nfs/dbraw/zinc/02/07/11/1138020711.db2.gz VRCMSWDGWURJSL-UHFFFAOYSA-N 1 2 331.466 3.873 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000070043443 1138091920 /nfs/dbraw/zinc/09/19/20/1138091920.db2.gz DNWGNKJGFMBAMB-HZPDHXFCSA-N 1 2 345.487 3.560 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnn(C)c1)Cc1cccs1 ZINC000071089277 1138097250 /nfs/dbraw/zinc/09/72/50/1138097250.db2.gz DSIDNEJGELTEPM-UHFFFAOYSA-N 1 2 327.453 3.693 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnn(C)c1)Cc1cccs1 ZINC000071089277 1138097252 /nfs/dbraw/zinc/09/72/52/1138097252.db2.gz DSIDNEJGELTEPM-UHFFFAOYSA-N 1 2 327.453 3.693 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1noc(-c3ccsc3)n1)C2 ZINC000886611067 1138101798 /nfs/dbraw/zinc/10/17/98/1138101798.db2.gz RQXBTQXEWMKZDW-FZMZJTMJSA-N 1 2 343.374 3.963 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1noc(-c3ccsc3)n1)C2 ZINC000886611067 1138101799 /nfs/dbraw/zinc/10/17/99/1138101799.db2.gz RQXBTQXEWMKZDW-FZMZJTMJSA-N 1 2 343.374 3.963 20 0 EHADLO Cc1nc(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000072962614 1138109525 /nfs/dbraw/zinc/10/95/25/1138109525.db2.gz KFATVCMDAJTOCY-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000077274539 1138138244 /nfs/dbraw/zinc/13/82/44/1138138244.db2.gz ZIDJDGVESBIRNB-JZXOWHBKSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000077274539 1138138246 /nfs/dbraw/zinc/13/82/46/1138138246.db2.gz ZIDJDGVESBIRNB-JZXOWHBKSA-N 1 2 343.471 3.526 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)cc1OC ZINC000079303301 1138155296 /nfs/dbraw/zinc/15/52/96/1138155296.db2.gz RLRDGXNDIZYJJF-NEPJUHHUSA-N 1 2 331.416 3.684 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000079409979 1138155924 /nfs/dbraw/zinc/15/59/24/1138155924.db2.gz MHJQKYLAMAIQOH-HXUWFJFHSA-N 1 2 337.467 3.738 20 0 EHADLO C[C@H]1C[C@@H]1[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080603200 1138163453 /nfs/dbraw/zinc/16/34/53/1138163453.db2.gz OZOJRTNGZSVDAO-RRQGHBQHSA-N 1 2 346.862 3.623 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137231710 1138178440 /nfs/dbraw/zinc/17/84/40/1138178440.db2.gz SFOWPZUKZQNYCX-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cnccc1Cl ZINC001137236556 1138184318 /nfs/dbraw/zinc/18/43/18/1138184318.db2.gz HGZBMFUGEKVGGZ-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cnccc1Cl ZINC001137236556 1138184319 /nfs/dbraw/zinc/18/43/19/1138184319.db2.gz HGZBMFUGEKVGGZ-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090008002 1138208416 /nfs/dbraw/zinc/20/84/16/1138208416.db2.gz POIUGODTJOSPTC-HXUWFJFHSA-N 1 2 336.435 3.550 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090008002 1138208418 /nfs/dbraw/zinc/20/84/18/1138208418.db2.gz POIUGODTJOSPTC-HXUWFJFHSA-N 1 2 336.435 3.550 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000090955744 1138214472 /nfs/dbraw/zinc/21/44/72/1138214472.db2.gz KSFHPVMCZHVKBW-FXAWDEMLSA-N 1 2 336.414 3.711 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921136 1138223164 /nfs/dbraw/zinc/22/31/64/1138223164.db2.gz FQAHKHBCFXTJMH-BARYYXIYSA-N 1 2 347.455 3.725 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921136 1138223167 /nfs/dbraw/zinc/22/31/67/1138223167.db2.gz FQAHKHBCFXTJMH-BARYYXIYSA-N 1 2 347.455 3.725 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1OC ZINC000093768952 1138240881 /nfs/dbraw/zinc/24/08/81/1138240881.db2.gz MIKICXDVLAMBCX-SUMWQHHRSA-N 1 2 333.453 3.727 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1OC ZINC000093768952 1138240884 /nfs/dbraw/zinc/24/08/84/1138240884.db2.gz MIKICXDVLAMBCX-SUMWQHHRSA-N 1 2 333.453 3.727 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cnccc2Cl)[C@H](c2ccccc2)C1 ZINC001137239128 1138242091 /nfs/dbraw/zinc/24/20/91/1138242091.db2.gz HYZXUNNLQQTTMP-YJBOKZPZSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnccc2Cl)[C@H](c2ccccc2)C1 ZINC001137239128 1138242093 /nfs/dbraw/zinc/24/20/93/1138242093.db2.gz HYZXUNNLQQTTMP-YJBOKZPZSA-N 1 2 344.842 3.861 20 0 EHADLO Cn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000121859602 1138251310 /nfs/dbraw/zinc/25/13/10/1138251310.db2.gz XCXKTDUUSQHMSR-UHFFFAOYSA-N 1 2 341.484 3.768 20 0 EHADLO CN(C(=O)C[N@H+](Cc1ccncc1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000122415615 1138258141 /nfs/dbraw/zinc/25/81/41/1138258141.db2.gz OUCAUYCRYOOREV-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1ccncc1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000122415615 1138258143 /nfs/dbraw/zinc/25/81/43/1138258143.db2.gz OUCAUYCRYOOREV-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3ccsc3)CCCC2)no1 ZINC000124070069 1138278882 /nfs/dbraw/zinc/27/88/82/1138278882.db2.gz YIQWVUDUWRLQSG-UHFFFAOYSA-N 1 2 334.489 3.532 20 0 EHADLO FC(F)Oc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125476628 1138309833 /nfs/dbraw/zinc/30/98/33/1138309833.db2.gz WAQIZHHIRYQONZ-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125476628 1138309837 /nfs/dbraw/zinc/30/98/37/1138309837.db2.gz WAQIZHHIRYQONZ-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000126124552 1138324540 /nfs/dbraw/zinc/32/45/40/1138324540.db2.gz KKVNOKYIPRFUGZ-OAHLLOKOSA-N 1 2 344.480 3.631 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000126266355 1138327528 /nfs/dbraw/zinc/32/75/28/1138327528.db2.gz SUCIFLZZCFVEQQ-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO CC(C)c1ncsc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000333746839 1138328174 /nfs/dbraw/zinc/32/81/74/1138328174.db2.gz YWIJXTBBXQHARZ-OLZOCXBDSA-N 1 2 333.461 3.578 20 0 EHADLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559367 1138362682 /nfs/dbraw/zinc/36/26/82/1138362682.db2.gz PNOLWFCBQPYJSU-LSDHHAIUSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559367 1138362686 /nfs/dbraw/zinc/36/26/86/1138362686.db2.gz PNOLWFCBQPYJSU-LSDHHAIUSA-N 1 2 336.407 3.510 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263777846 1138363395 /nfs/dbraw/zinc/36/33/95/1138363395.db2.gz JTXOFCUGBSHYRQ-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)nc4c3cnn4C(C)C)ccc2[nH+]1 ZINC000263779951 1138363911 /nfs/dbraw/zinc/36/39/11/1138363911.db2.gz GQDBDQXBRLBRSX-UHFFFAOYSA-N 1 2 348.410 3.529 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000127613583 1138364463 /nfs/dbraw/zinc/36/44/63/1138364463.db2.gz RAPUMSCIXZMSQO-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000263896918 1138388579 /nfs/dbraw/zinc/38/85/79/1138388579.db2.gz XNDRFBJFUASVQP-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000336878752 1138419397 /nfs/dbraw/zinc/41/93/97/1138419397.db2.gz IKEZDTVBZJWQTO-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000336878752 1138419399 /nfs/dbraw/zinc/41/93/99/1138419399.db2.gz IKEZDTVBZJWQTO-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000336878850 1138419413 /nfs/dbraw/zinc/41/94/13/1138419413.db2.gz JEHAHNRDXGPMQP-UHFFFAOYSA-N 1 2 328.460 3.983 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2c(F)cccc2F)c1)[NH+]1CCOCC1 ZINC000264279594 1138462786 /nfs/dbraw/zinc/46/27/86/1138462786.db2.gz TYTANMCROMAYQL-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO C[C@H]1CC(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[C@H](C)C1 ZINC000337129623 1138473842 /nfs/dbraw/zinc/47/38/42/1138473842.db2.gz AQCKUGZFTLCLIV-ZACQAIPSSA-N 1 2 343.515 3.998 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000337167761 1138483804 /nfs/dbraw/zinc/48/38/04/1138483804.db2.gz AZRAZLVAQNBMAW-LLVKDONJSA-N 1 2 332.329 3.535 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000337193439 1138491558 /nfs/dbraw/zinc/49/15/58/1138491558.db2.gz VLBYFOPYPXRARJ-UHFFFAOYSA-N 1 2 340.430 3.979 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000337193439 1138491559 /nfs/dbraw/zinc/49/15/59/1138491559.db2.gz VLBYFOPYPXRARJ-UHFFFAOYSA-N 1 2 340.430 3.979 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3ncnn3-c3ccccc3)oc21 ZINC000337205981 1138495211 /nfs/dbraw/zinc/49/52/11/1138495211.db2.gz LROKCOUTNHAMRN-CQSZACIVSA-N 1 2 348.406 3.873 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2ncccn2)CC1 ZINC000337278561 1138517917 /nfs/dbraw/zinc/51/79/17/1138517917.db2.gz SVPCJWVNXQYUNF-UHFFFAOYSA-N 1 2 339.336 3.956 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2)o1 ZINC000131447974 1138518468 /nfs/dbraw/zinc/51/84/68/1138518468.db2.gz XJKWISDBEQNZBF-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2)o1 ZINC000131447974 1138518472 /nfs/dbraw/zinc/51/84/72/1138518472.db2.gz XJKWISDBEQNZBF-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO CCc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000337352040 1138541612 /nfs/dbraw/zinc/54/16/12/1138541612.db2.gz XSADEFAXBJIQDZ-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H](C)C1 ZINC000337429439 1138566917 /nfs/dbraw/zinc/56/69/17/1138566917.db2.gz UMNHBUZPDSUBNB-GJZGRUSLSA-N 1 2 344.434 3.589 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)cn21 ZINC000337490777 1138585201 /nfs/dbraw/zinc/58/52/01/1138585201.db2.gz DYPPSYPXEYXYGF-GOSISDBHSA-N 1 2 349.434 3.751 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)cn21 ZINC000337490777 1138585205 /nfs/dbraw/zinc/58/52/05/1138585205.db2.gz DYPPSYPXEYXYGF-GOSISDBHSA-N 1 2 349.434 3.751 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337500405 1138587800 /nfs/dbraw/zinc/58/78/00/1138587800.db2.gz LJZMBMTUBSZPLS-VIYPGNBHSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337500405 1138587803 /nfs/dbraw/zinc/58/78/03/1138587803.db2.gz LJZMBMTUBSZPLS-VIYPGNBHSA-N 1 2 345.430 3.952 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000264722183 1138617389 /nfs/dbraw/zinc/61/73/89/1138617389.db2.gz LHQRUWCYOFBILA-LBPRGKRZSA-N 1 2 348.476 3.576 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000264728440 1138618858 /nfs/dbraw/zinc/61/88/58/1138618858.db2.gz MSLMLZDXYOGOMP-HNNXBMFYSA-N 1 2 342.443 3.929 20 0 EHADLO C[N@@H+](CC(=O)c1c[nH]c2ccccc12)C[C@H]1OCCc2ccccc21 ZINC000337636126 1138628774 /nfs/dbraw/zinc/62/87/74/1138628774.db2.gz BXJAPXFSXGKKBG-OAQYLSRUSA-N 1 2 334.419 3.596 20 0 EHADLO C[N@H+](CC(=O)c1c[nH]c2ccccc12)C[C@H]1OCCc2ccccc21 ZINC000337636126 1138628776 /nfs/dbraw/zinc/62/87/76/1138628776.db2.gz BXJAPXFSXGKKBG-OAQYLSRUSA-N 1 2 334.419 3.596 20 0 EHADLO Cc1cc(C)cc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000348460310 1138657109 /nfs/dbraw/zinc/65/71/09/1138657109.db2.gz YRSSTVQKOLJEAG-UHFFFAOYSA-N 1 2 346.434 3.688 20 0 EHADLO C[C@H]([NH2+]Cc1cc(O)ccc1Br)c1ccncc1F ZINC000337953504 1138707117 /nfs/dbraw/zinc/70/71/17/1138707117.db2.gz LIUDSTZGKAOSSC-VIFPVBQESA-N 1 2 325.181 3.540 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265059341 1138715195 /nfs/dbraw/zinc/71/51/95/1138715195.db2.gz WBSDRJIXFBJEKI-HNNXBMFYSA-N 1 2 340.427 3.610 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000265111926 1138732331 /nfs/dbraw/zinc/73/23/31/1138732331.db2.gz HUAJSKJDUJQHMN-VQTJNVASSA-N 1 2 336.435 3.692 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000265111926 1138732334 /nfs/dbraw/zinc/73/23/34/1138732334.db2.gz HUAJSKJDUJQHMN-VQTJNVASSA-N 1 2 336.435 3.692 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000338112310 1138754987 /nfs/dbraw/zinc/75/49/87/1138754987.db2.gz LBHAYQHLPCRBGG-CQSZACIVSA-N 1 2 333.391 3.530 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000338238742 1138797954 /nfs/dbraw/zinc/79/79/54/1138797954.db2.gz MNGKYSXHJYPOFI-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000338238742 1138797955 /nfs/dbraw/zinc/79/79/55/1138797955.db2.gz MNGKYSXHJYPOFI-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO O=C(c1csc(Cl)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338260167 1138804438 /nfs/dbraw/zinc/80/44/38/1138804438.db2.gz FUDMIOQFGIPRIX-CYBMUJFWSA-N 1 2 341.263 3.842 20 0 EHADLO C[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C[C@H]1n1cc[nH+]c1 ZINC000136628005 1138806131 /nfs/dbraw/zinc/80/61/31/1138806131.db2.gz OQSFFVWQXDCOQV-NUEKZKHPSA-N 1 2 344.484 3.615 20 0 EHADLO COC[C@@H]([NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000136653481 1138806781 /nfs/dbraw/zinc/80/67/81/1138806781.db2.gz BNDFNQXLZUEZFQ-RTBURBONSA-N 1 2 349.434 3.841 20 0 EHADLO CC(C)(NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000338280847 1138813765 /nfs/dbraw/zinc/81/37/65/1138813765.db2.gz QLBLDOQCQVSOOX-UHFFFAOYSA-N 1 2 348.450 3.666 20 0 EHADLO Cc1[nH+]ccn1CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338376398 1138870438 /nfs/dbraw/zinc/87/04/38/1138870438.db2.gz KVUGSLUFEUKUKL-MRXNPFEDSA-N 1 2 341.352 3.781 20 0 EHADLO Cc1nccn1CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338376398 1138870454 /nfs/dbraw/zinc/87/04/54/1138870454.db2.gz KVUGSLUFEUKUKL-MRXNPFEDSA-N 1 2 341.352 3.781 20 0 EHADLO COc1cnc2ccccc2c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000338410625 1138900077 /nfs/dbraw/zinc/90/00/77/1138900077.db2.gz MCSAQBRKDAVZAU-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000338467827 1138929878 /nfs/dbraw/zinc/92/98/78/1138929878.db2.gz ZCLSQVFHIGUUPI-MOPGFXCFSA-N 1 2 337.467 3.544 20 0 EHADLO Cc1cccc(C)c1CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000887958913 1138992614 /nfs/dbraw/zinc/99/26/14/1138992614.db2.gz DZGACNOORCFSBJ-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000151278214 1139021156 /nfs/dbraw/zinc/02/11/56/1139021156.db2.gz HHEKVSVKRUUWIJ-GOSISDBHSA-N 1 2 340.471 3.727 20 0 EHADLO CC[N@H+](CC(=O)N1CC[C@H](C(F)(F)F)C1)Cc1ccccc1Cl ZINC000888018974 1139041896 /nfs/dbraw/zinc/04/18/96/1139041896.db2.gz HLPNRADQYFQTMU-ZDUSSCGKSA-N 1 2 348.796 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N1CC[C@H](C(F)(F)F)C1)Cc1ccccc1Cl ZINC000888018974 1139041903 /nfs/dbraw/zinc/04/19/03/1139041903.db2.gz HLPNRADQYFQTMU-ZDUSSCGKSA-N 1 2 348.796 3.573 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000151674563 1139051561 /nfs/dbraw/zinc/05/15/61/1139051561.db2.gz KJNBASYIHYFHLC-JKIFEVAISA-N 1 2 346.862 3.890 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153363070 1139132478 /nfs/dbraw/zinc/13/24/78/1139132478.db2.gz SZJIKXQSNSFPGV-JENIJYKNSA-N 1 2 340.471 3.854 20 0 EHADLO CC1(C)CN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)[C@H]1C1CC1 ZINC000889545959 1139228840 /nfs/dbraw/zinc/22/88/40/1139228840.db2.gz QEZGKIGRTCDDJL-BQFCYCMXSA-N 1 2 342.487 3.635 20 0 EHADLO Cc1occc1CN(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889561230 1139234243 /nfs/dbraw/zinc/23/42/43/1139234243.db2.gz FPSRQICGJLTFCL-QAQDUYKDSA-N 1 2 342.443 3.548 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(OCC3CCCCC3)cc2)[nH+]c1C ZINC001137260182 1139301880 /nfs/dbraw/zinc/30/18/80/1139301880.db2.gz CTVMCIXQISMKEB-UHFFFAOYSA-N 1 2 341.455 3.916 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000826682791 1139316089 /nfs/dbraw/zinc/31/60/89/1139316089.db2.gz QBJMDCYMIGVFFO-CQSZACIVSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000826682791 1139316097 /nfs/dbraw/zinc/31/60/97/1139316097.db2.gz QBJMDCYMIGVFFO-CQSZACIVSA-N 1 2 340.370 3.683 20 0 EHADLO CCc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)no1 ZINC000890355341 1139345798 /nfs/dbraw/zinc/34/57/98/1139345798.db2.gz NNNMFHSAWFQXMF-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1cccnc1 ZINC000174211497 1139406667 /nfs/dbraw/zinc/40/66/67/1139406667.db2.gz ISTKBNLRXGVYKE-KGLIPLIRSA-N 1 2 344.484 3.512 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1cccnc1 ZINC000174211497 1139406671 /nfs/dbraw/zinc/40/66/71/1139406671.db2.gz ISTKBNLRXGVYKE-KGLIPLIRSA-N 1 2 344.484 3.512 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc3ccccc3[nH]c2=O)o1 ZINC000174481960 1139422918 /nfs/dbraw/zinc/42/29/18/1139422918.db2.gz VSFYZGSSZNYPQA-KRWDZBQOSA-N 1 2 326.396 3.573 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)s1 ZINC000175258311 1139476186 /nfs/dbraw/zinc/47/61/86/1139476186.db2.gz BMFSNBXCSZSFMS-FZMZJTMJSA-N 1 2 335.860 3.561 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175259491 1139476398 /nfs/dbraw/zinc/47/63/98/1139476398.db2.gz UPDIMIFJNRTJRY-RYUDHWBXSA-N 1 2 335.498 3.851 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000176568396 1139565595 /nfs/dbraw/zinc/56/55/95/1139565595.db2.gz HOGZLJKDDYRSQY-WMZOPIPTSA-N 1 2 340.471 3.639 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000176568396 1139565598 /nfs/dbraw/zinc/56/55/98/1139565598.db2.gz HOGZLJKDDYRSQY-WMZOPIPTSA-N 1 2 340.471 3.639 20 0 EHADLO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000177149015 1139599909 /nfs/dbraw/zinc/59/99/09/1139599909.db2.gz SJHHPKBPBHFTAX-GFCCVEGCSA-N 1 2 348.393 3.530 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000177543645 1139624938 /nfs/dbraw/zinc/62/49/38/1139624938.db2.gz POYYNXMHXBNMEY-HNAYVOBHSA-N 1 2 334.423 3.602 20 0 EHADLO CC(C)(C)O[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178776749 1139717369 /nfs/dbraw/zinc/71/73/69/1139717369.db2.gz MEHVSRMEVDAOCD-GOSISDBHSA-N 1 2 337.423 3.507 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179738228 1139779138 /nfs/dbraw/zinc/77/91/38/1139779138.db2.gz UJYQXWJZQJNLDS-PXAZEXFGSA-N 1 2 343.427 3.766 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(C2CC2)no1 ZINC000179761960 1139780219 /nfs/dbraw/zinc/78/02/19/1139780219.db2.gz QFBYOZGOVIIGPJ-GTNSWQLSSA-N 1 2 341.411 3.520 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccn1C ZINC000179796298 1139783787 /nfs/dbraw/zinc/78/37/87/1139783787.db2.gz HTHNBJUTIBIXBM-UHFFFAOYSA-N 1 2 340.254 3.793 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccn1C ZINC000179796298 1139783794 /nfs/dbraw/zinc/78/37/94/1139783794.db2.gz HTHNBJUTIBIXBM-UHFFFAOYSA-N 1 2 340.254 3.793 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000180251340 1139821034 /nfs/dbraw/zinc/82/10/34/1139821034.db2.gz MQAYGIUZGNJFQQ-KRWDZBQOSA-N 1 2 335.835 3.891 20 0 EHADLO Cc1cc(N2CCC[C@@H]2CC(=O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000180342906 1139827757 /nfs/dbraw/zinc/82/77/57/1139827757.db2.gz NMIPJHUAWLGHOR-CQSZACIVSA-N 1 2 327.453 3.966 20 0 EHADLO Cc1cc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000180387993 1139830979 /nfs/dbraw/zinc/83/09/79/1139830979.db2.gz BHJVKRQJKQLWHW-UHFFFAOYSA-N 1 2 343.858 3.882 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180424427 1139832914 /nfs/dbraw/zinc/83/29/14/1139832914.db2.gz ROIJTFGZRJLQTM-UHFFFAOYSA-N 1 2 342.439 3.762 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180424427 1139832918 /nfs/dbraw/zinc/83/29/18/1139832918.db2.gz ROIJTFGZRJLQTM-UHFFFAOYSA-N 1 2 342.439 3.762 20 0 EHADLO CCn1c(SCCCn2cc[nH+]c2)nnc1-c1cccc(Cl)c1 ZINC000180427454 1139833654 /nfs/dbraw/zinc/83/36/54/1139833654.db2.gz GFSAJZFUNRYSBS-UHFFFAOYSA-N 1 2 347.875 3.997 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2ccccc2)n1 ZINC000180545691 1139843335 /nfs/dbraw/zinc/84/33/35/1139843335.db2.gz RSBFVVLFAIPDPL-GOSISDBHSA-N 1 2 339.464 3.722 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2ccccc2)n1 ZINC000180545691 1139843348 /nfs/dbraw/zinc/84/33/48/1139843348.db2.gz RSBFVVLFAIPDPL-GOSISDBHSA-N 1 2 339.464 3.722 20 0 EHADLO Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)s1 ZINC000180556070 1139845337 /nfs/dbraw/zinc/84/53/37/1139845337.db2.gz XNHWSJDYDJQVCX-INIZCTEOSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)s1 ZINC000180556070 1139845346 /nfs/dbraw/zinc/84/53/46/1139845346.db2.gz XNHWSJDYDJQVCX-INIZCTEOSA-N 1 2 344.484 3.628 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000180803612 1139863791 /nfs/dbraw/zinc/86/37/91/1139863791.db2.gz BPGZAFAUTRCMDA-PKOBYXMFSA-N 1 2 341.455 3.586 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)s2)o1 ZINC000180939454 1139873575 /nfs/dbraw/zinc/87/35/75/1139873575.db2.gz XJKQQERVFYKVIR-UHFFFAOYSA-N 1 2 341.436 3.990 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc(C(C)C)no4)C3)nc2c1 ZINC000181147137 1139888268 /nfs/dbraw/zinc/88/82/68/1139888268.db2.gz DACYFLNOFYYDDC-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nc(C(C)C)no4)C3)nc2c1 ZINC000181147137 1139888277 /nfs/dbraw/zinc/88/82/77/1139888277.db2.gz DACYFLNOFYYDDC-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nc(C(C)C)no4)C3)[nH]c2c1 ZINC000181147137 1139888284 /nfs/dbraw/zinc/88/82/84/1139888284.db2.gz DACYFLNOFYYDDC-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc(C(C)C)no4)C3)[nH]c2c1 ZINC000181147137 1139888293 /nfs/dbraw/zinc/88/82/93/1139888293.db2.gz DACYFLNOFYYDDC-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO O=C([C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1)N1CCCCC1 ZINC000182337374 1139965915 /nfs/dbraw/zinc/96/59/15/1139965915.db2.gz LUEZVYWQFROLNP-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1OCC ZINC000183092585 1140012682 /nfs/dbraw/zinc/01/26/82/1140012682.db2.gz NYTJZHYTXJYHHK-HNNXBMFYSA-N 1 2 346.475 3.582 20 0 EHADLO COCCc1nc(C)c([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000183150939 1140016450 /nfs/dbraw/zinc/01/64/50/1140016450.db2.gz DIMRZJDQUAZXIA-CYBMUJFWSA-N 1 2 346.500 3.809 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000183981331 1140071457 /nfs/dbraw/zinc/07/14/57/1140071457.db2.gz ABURZHGGFSQWAP-GFCCVEGCSA-N 1 2 345.468 3.506 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]CCOC(C)C)cs1)c1ccc(C)cc1 ZINC000184158985 1140083725 /nfs/dbraw/zinc/08/37/25/1140083725.db2.gz GQCLRNLKXQNDMH-UHFFFAOYSA-N 1 2 347.484 3.651 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)o1 ZINC000184346293 1140097749 /nfs/dbraw/zinc/09/77/49/1140097749.db2.gz DOEPHGATGIGKBV-SECBINFHSA-N 1 2 332.404 3.800 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(C)C)c1ccco1 ZINC000184512617 1140106971 /nfs/dbraw/zinc/10/69/71/1140106971.db2.gz GYIBKRYCOHXBQB-RHSMWYFYSA-N 1 2 330.428 3.707 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000184698876 1140115765 /nfs/dbraw/zinc/11/57/65/1140115765.db2.gz VYCZKPCZGFADJE-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)cccc1C)c1ccc(C)o1 ZINC000184731433 1140117708 /nfs/dbraw/zinc/11/77/08/1140117708.db2.gz VMUVXEUCICZFMM-CVEARBPZSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2CC)cs1 ZINC000184744731 1140118890 /nfs/dbraw/zinc/11/88/90/1140118890.db2.gz UGMDCNLULAOMIN-CYBMUJFWSA-N 1 2 331.485 3.866 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184897892 1140124838 /nfs/dbraw/zinc/12/48/38/1140124838.db2.gz TZOTWDNAZWDWOB-HNNXBMFYSA-N 1 2 329.444 3.689 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000184980324 1140128924 /nfs/dbraw/zinc/12/89/24/1140128924.db2.gz VKRZWABZGDGSAR-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1F ZINC000185322827 1140144906 /nfs/dbraw/zinc/14/49/06/1140144906.db2.gz AYMKQSCDLKPZTB-UHFFFAOYSA-N 1 2 349.837 3.817 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cccc(F)c1 ZINC000187111318 1140239539 /nfs/dbraw/zinc/23/95/39/1140239539.db2.gz KOGHWPCRIWRIKW-UHFFFAOYSA-N 1 2 341.835 3.563 20 0 EHADLO Cn1cncc1C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189805131 1140364125 /nfs/dbraw/zinc/36/41/25/1140364125.db2.gz COCNRSABKUZOKB-UHFFFAOYSA-N 1 2 334.261 3.562 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3c[nH+]cn3C)n2)cc1 ZINC000189859435 1140367982 /nfs/dbraw/zinc/36/79/82/1140367982.db2.gz MDODRMOFURNOSE-UHFFFAOYSA-N 1 2 340.452 3.677 20 0 EHADLO CCCC[N@H+](Cc1nnnn1CC(F)(F)F)[C@H](C)c1ccccc1 ZINC000190842606 1140420809 /nfs/dbraw/zinc/42/08/09/1140420809.db2.gz GZYOSGYCTRAINM-CYBMUJFWSA-N 1 2 341.381 3.599 20 0 EHADLO CCCC[N@@H+](Cc1nnnn1CC(F)(F)F)[C@H](C)c1ccccc1 ZINC000190842606 1140420811 /nfs/dbraw/zinc/42/08/11/1140420811.db2.gz GZYOSGYCTRAINM-CYBMUJFWSA-N 1 2 341.381 3.599 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191265207 1140449996 /nfs/dbraw/zinc/44/99/96/1140449996.db2.gz NXVMYQIVWKXHDB-QGZVFWFLSA-N 1 2 330.476 3.919 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(F)c1C ZINC000191909028 1140492722 /nfs/dbraw/zinc/49/27/22/1140492722.db2.gz BJYPHSCHVWWCCP-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cc(C)ccc1C ZINC000192250995 1140513837 /nfs/dbraw/zinc/51/38/37/1140513837.db2.gz GMDKCBFRSBBAOJ-UHFFFAOYSA-N 1 2 327.472 3.544 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cccc(F)c1F ZINC000192256835 1140515697 /nfs/dbraw/zinc/51/56/97/1140515697.db2.gz CKJVZQNVWZJHQA-UHFFFAOYSA-N 1 2 349.425 3.595 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000192259675 1140516558 /nfs/dbraw/zinc/51/65/58/1140516558.db2.gz NJRKHMFIDDMBTB-SFHVURJKSA-N 1 2 341.499 3.871 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1nc(C)cs1)CCC2 ZINC000192639980 1140541696 /nfs/dbraw/zinc/54/16/96/1140541696.db2.gz XVRSPFFCANALSN-LBPRGKRZSA-N 1 2 334.441 3.697 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000193683258 1140583477 /nfs/dbraw/zinc/58/34/77/1140583477.db2.gz ZYLQXGJELDRFST-UHFFFAOYSA-N 1 2 341.499 3.744 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cccc3cc[nH]c32)c1)[NH+]1CCOCC1 ZINC000266321987 1140668006 /nfs/dbraw/zinc/66/80/06/1140668006.db2.gz ICEHUJVKOGDAHM-OAHLLOKOSA-N 1 2 349.434 3.813 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000266342019 1140670434 /nfs/dbraw/zinc/67/04/34/1140670434.db2.gz MPOQTSBDYXKISG-HXUWFJFHSA-N 1 2 325.456 3.974 20 0 EHADLO CC[C@](C)(NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nc(C)cs1 ZINC000266365902 1140675165 /nfs/dbraw/zinc/67/51/65/1140675165.db2.gz AVHRLJRSKNTDIG-KRWDZBQOSA-N 1 2 343.456 3.855 20 0 EHADLO CCC(CC)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)SC ZINC000266369606 1140675431 /nfs/dbraw/zinc/67/54/31/1140675431.db2.gz RBJWIZNOUQKGSC-UHFFFAOYSA-N 1 2 331.485 3.583 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635841 1140710446 /nfs/dbraw/zinc/71/04/46/1140710446.db2.gz RRWVPINFFJTIOW-WMLDXEAASA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635841 1140710453 /nfs/dbraw/zinc/71/04/53/1140710453.db2.gz RRWVPINFFJTIOW-WMLDXEAASA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1c1cccc(F)c1 ZINC000266925920 1140739175 /nfs/dbraw/zinc/73/91/75/1140739175.db2.gz KAWQUFBPCCRVKD-LIRRHRJNSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1c1cccc(F)c1 ZINC000266925920 1140739180 /nfs/dbraw/zinc/73/91/80/1140739180.db2.gz KAWQUFBPCCRVKD-LIRRHRJNSA-N 1 2 328.435 3.727 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000266997081 1140748133 /nfs/dbraw/zinc/74/81/33/1140748133.db2.gz XDYDITJQLLQWQO-UHFFFAOYSA-N 1 2 325.412 3.755 20 0 EHADLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccc2ccccc2c1 ZINC000267006372 1140750130 /nfs/dbraw/zinc/75/01/30/1140750130.db2.gz FXDNTPFVKNSGSI-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccc2ccccc2c1 ZINC000267006372 1140750133 /nfs/dbraw/zinc/75/01/33/1140750133.db2.gz FXDNTPFVKNSGSI-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)[C@@H]1CCc2ccc(F)cc21 ZINC000267171469 1140765306 /nfs/dbraw/zinc/76/53/06/1140765306.db2.gz UWBNUTBEDMIFID-CQSZACIVSA-N 1 2 327.325 3.704 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)[C@@H]1CCc2ccc(F)cc21 ZINC000267171469 1140765314 /nfs/dbraw/zinc/76/53/14/1140765314.db2.gz UWBNUTBEDMIFID-CQSZACIVSA-N 1 2 327.325 3.704 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267193625 1140766978 /nfs/dbraw/zinc/76/69/78/1140766978.db2.gz ZSTITKXIDCUSBZ-HNNXBMFYSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1sc2nc(SCc3c[nH+]cn3C)n(C(C)C)c(=O)c2c1C ZINC000267250661 1140772107 /nfs/dbraw/zinc/77/21/07/1140772107.db2.gz ZRGFRMLFCQMFPK-UHFFFAOYSA-N 1 2 348.497 3.682 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(Br)c2)cs1 ZINC000267630827 1140814095 /nfs/dbraw/zinc/81/40/95/1140814095.db2.gz NQGSOUOKEGOXRO-SNVBAGLBSA-N 1 2 341.274 3.903 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364196 1140782246 /nfs/dbraw/zinc/78/22/46/1140782246.db2.gz ITVSRAYQQRCPNL-CXAGYDPISA-N 1 2 329.831 3.533 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364196 1140782248 /nfs/dbraw/zinc/78/22/48/1140782248.db2.gz ITVSRAYQQRCPNL-CXAGYDPISA-N 1 2 329.831 3.533 20 0 EHADLO CC(C)c1oc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)nc1-c1ccccc1 ZINC000267395433 1140786694 /nfs/dbraw/zinc/78/66/94/1140786694.db2.gz PKURTKOJKXZTOQ-MRXNPFEDSA-N 1 2 341.455 3.690 20 0 EHADLO CC(C)c1oc([C@H]2CCC[N@H+]2CC(=O)N(C)C)nc1-c1ccccc1 ZINC000267395433 1140786702 /nfs/dbraw/zinc/78/67/02/1140786702.db2.gz PKURTKOJKXZTOQ-MRXNPFEDSA-N 1 2 341.455 3.690 20 0 EHADLO C[C@@H]1CCN(c2ncnc3cc(Cl)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000268269857 1140912345 /nfs/dbraw/zinc/91/23/45/1140912345.db2.gz OJQBICNVJLJIQU-MLGOLLRUSA-N 1 2 327.819 3.567 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000268361062 1140925765 /nfs/dbraw/zinc/92/57/65/1140925765.db2.gz GZUXCWSTDPUFGC-HOTGVXAUSA-N 1 2 347.459 3.874 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000268361062 1140925772 /nfs/dbraw/zinc/92/57/72/1140925772.db2.gz GZUXCWSTDPUFGC-HOTGVXAUSA-N 1 2 347.459 3.874 20 0 EHADLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000268375709 1140929890 /nfs/dbraw/zinc/92/98/90/1140929890.db2.gz XCSVYGMVTKOUAT-MSOLQXFVSA-N 1 2 339.439 3.783 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000268495539 1140947824 /nfs/dbraw/zinc/94/78/24/1140947824.db2.gz RDMOXEOJJRJDKQ-UHFFFAOYSA-N 1 2 347.488 3.785 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)nnn1-c1ccc(C)cc1 ZINC000268882029 1141016321 /nfs/dbraw/zinc/01/63/21/1141016321.db2.gz MZJPEOWZZAIQNL-LIRRHRJNSA-N 1 2 348.450 3.928 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000268911867 1141023833 /nfs/dbraw/zinc/02/38/33/1141023833.db2.gz OIBHKOJRNMDTDO-GXTWGEPZSA-N 1 2 341.484 3.583 20 0 EHADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000269062269 1141058085 /nfs/dbraw/zinc/05/80/85/1141058085.db2.gz KOTGSDQSWOMTLZ-CQSZACIVSA-N 1 2 340.496 3.821 20 0 EHADLO CC1(C)CCC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000269117684 1141067867 /nfs/dbraw/zinc/06/78/67/1141067867.db2.gz SQPPYOJERFIYAA-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000269321430 1141092538 /nfs/dbraw/zinc/09/25/38/1141092538.db2.gz PRXUTESHOJTUTJ-UHFFFAOYSA-N 1 2 348.450 3.521 20 0 EHADLO CC(C)(C)O[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000270023959 1141168957 /nfs/dbraw/zinc/16/89/57/1141168957.db2.gz OWMXHQPCDPJIGF-DLBZAZTESA-N 1 2 341.455 3.672 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270037088 1141171558 /nfs/dbraw/zinc/17/15/58/1141171558.db2.gz RGZNJAISVLXBDR-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC=C(C)CC3)cs2)cc1 ZINC000270103374 1141179436 /nfs/dbraw/zinc/17/94/36/1141179436.db2.gz BYNPEKFYZFHEAL-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC=C(C)CC3)cs2)cc1 ZINC000270103374 1141179438 /nfs/dbraw/zinc/17/94/38/1141179438.db2.gz BYNPEKFYZFHEAL-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO CSC[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270481259 1141230093 /nfs/dbraw/zinc/23/00/93/1141230093.db2.gz OCZPVOKYJSDMGO-ZDUSSCGKSA-N 1 2 327.453 3.539 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270705628 1141259292 /nfs/dbraw/zinc/25/92/92/1141259292.db2.gz MYHJHQNWKGRRRG-OAHLLOKOSA-N 1 2 326.444 3.642 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H](c1ccccc1)C1CC1 ZINC000270812858 1141273316 /nfs/dbraw/zinc/27/33/16/1141273316.db2.gz QFYOAGZZLIUHOQ-OAQYLSRUSA-N 1 2 345.446 3.741 20 0 EHADLO COc1ccc(C[N@H+](Cc2csnn2)C2CCCCC2)cc1OC ZINC000271056268 1141301980 /nfs/dbraw/zinc/30/19/80/1141301980.db2.gz BGYAZJKFDCGARJ-UHFFFAOYSA-N 1 2 347.484 3.890 20 0 EHADLO COc1ccc(C[N@@H+](Cc2csnn2)C2CCCCC2)cc1OC ZINC000271056268 1141301987 /nfs/dbraw/zinc/30/19/87/1141301987.db2.gz BGYAZJKFDCGARJ-UHFFFAOYSA-N 1 2 347.484 3.890 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3cnc4ccccc4c3)CCO2)c1 ZINC000271159338 1141315832 /nfs/dbraw/zinc/31/58/32/1141315832.db2.gz JQHIPTPQJDGZNE-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCO2)c1 ZINC000271159338 1141315839 /nfs/dbraw/zinc/31/58/39/1141315839.db2.gz JQHIPTPQJDGZNE-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000271191164 1141321759 /nfs/dbraw/zinc/32/17/59/1141321759.db2.gz PWQKBAWGZPTWIA-MRXNPFEDSA-N 1 2 349.887 3.580 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000271191164 1141321766 /nfs/dbraw/zinc/32/17/66/1141321766.db2.gz PWQKBAWGZPTWIA-MRXNPFEDSA-N 1 2 349.887 3.580 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc3ccsc32)C[C@H]1n1cc[nH+]c1 ZINC000274279377 1141492656 /nfs/dbraw/zinc/49/26/56/1141492656.db2.gz DGNPWVFUVHSMSV-XJKSGUPXSA-N 1 2 325.437 3.821 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc2[nH+]1 ZINC000339122526 1141503107 /nfs/dbraw/zinc/50/31/07/1141503107.db2.gz AVNFCYSSKVUQSW-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000339144247 1141509297 /nfs/dbraw/zinc/50/92/97/1141509297.db2.gz IOYJUVFOTJBDQO-QGZVFWFLSA-N 1 2 328.412 3.921 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000339144247 1141509299 /nfs/dbraw/zinc/50/92/99/1141509299.db2.gz IOYJUVFOTJBDQO-QGZVFWFLSA-N 1 2 328.412 3.921 20 0 EHADLO CCC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccn1 ZINC000339263307 1141543339 /nfs/dbraw/zinc/54/33/39/1141543339.db2.gz GRBBIGVLPACDBC-OAHLLOKOSA-N 1 2 338.386 3.929 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1F ZINC000348542626 1141549204 /nfs/dbraw/zinc/54/92/04/1141549204.db2.gz DEZIBZZNXFWODU-SJLPKXTDSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1F ZINC000348542626 1141549206 /nfs/dbraw/zinc/54/92/06/1141549206.db2.gz DEZIBZZNXFWODU-SJLPKXTDSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000348548633 1141549784 /nfs/dbraw/zinc/54/97/84/1141549784.db2.gz QUOCBCDFYMRGLT-DLBZAZTESA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000348548633 1141549786 /nfs/dbraw/zinc/54/97/86/1141549786.db2.gz QUOCBCDFYMRGLT-DLBZAZTESA-N 1 2 349.377 3.605 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC(C)C ZINC000348701186 1141567581 /nfs/dbraw/zinc/56/75/81/1141567581.db2.gz CJOFEAHHNPQFFE-QGZVFWFLSA-N 1 2 329.444 3.933 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC(C)C ZINC000348701186 1141567582 /nfs/dbraw/zinc/56/75/82/1141567582.db2.gz CJOFEAHHNPQFFE-QGZVFWFLSA-N 1 2 329.444 3.933 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000349038274 1141626205 /nfs/dbraw/zinc/62/62/05/1141626205.db2.gz ONPIORSQFXHEIY-RMKNXTFCSA-N 1 2 337.467 3.609 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000022290049 202082486 /nfs/dbraw/zinc/08/24/86/202082486.db2.gz VLVWTXDNVPSBIQ-UHFFFAOYSA-N 1 2 329.469 3.619 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951451 202192700 /nfs/dbraw/zinc/19/27/00/202192700.db2.gz KSYZLWDGLJTUAO-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)cn1 ZINC000071797167 202354316 /nfs/dbraw/zinc/35/43/16/202354316.db2.gz QTQLDWROAYUJME-HNNXBMFYSA-N 1 2 330.482 3.942 20 0 EHADLO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)cn1 ZINC000071797167 202354320 /nfs/dbraw/zinc/35/43/20/202354320.db2.gz QTQLDWROAYUJME-HNNXBMFYSA-N 1 2 330.482 3.942 20 0 EHADLO c1ccc2[nH+]c(CCNc3ncnc4c5ccccc5oc43)[nH]c2c1 ZINC000072751724 216302859 /nfs/dbraw/zinc/30/28/59/216302859.db2.gz POAHYVLMYABQGQ-UHFFFAOYSA-N 1 2 329.363 3.907 20 0 EHADLO CC(C)OCc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000359938437 201118124 /nfs/dbraw/zinc/11/81/24/201118124.db2.gz UTLBWOGQWXWYCC-INIZCTEOSA-N 1 2 342.443 3.746 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2nc3ccccc3s2)c2ccccc2)cn1 ZINC000359954956 201119396 /nfs/dbraw/zinc/11/93/96/201119396.db2.gz AFXYGRZBIYWJMB-IBGZPJMESA-N 1 2 334.448 3.909 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2cc(C)ccc2o1 ZINC000072003490 201173042 /nfs/dbraw/zinc/17/30/42/201173042.db2.gz LUICZBZRRCCKAZ-UHFFFAOYSA-N 1 2 333.391 3.829 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000122944505 222187096 /nfs/dbraw/zinc/18/70/96/222187096.db2.gz ZABOYEBJDUCGAX-DZGCQCFKSA-N 1 2 332.469 3.870 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000122944505 222187099 /nfs/dbraw/zinc/18/70/99/222187099.db2.gz ZABOYEBJDUCGAX-DZGCQCFKSA-N 1 2 332.469 3.870 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1c(F)cccc1Cl ZINC000824619697 608552879 /nfs/dbraw/zinc/55/28/79/608552879.db2.gz ZFDZWTLWPQPCPP-SECBINFHSA-N 1 2 349.772 3.649 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1F ZINC000824530473 609327047 /nfs/dbraw/zinc/32/70/47/609327047.db2.gz LXRWPCYSBCBONF-VHSXEESVSA-N 1 2 347.344 3.696 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c(-c2nn[nH]n2)c1 ZINC000822766237 946169824 /nfs/dbraw/zinc/16/98/24/946169824.db2.gz GLKONLMEECYMBG-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c(-c2nn[nH]n2)c1 ZINC000822766237 946169829 /nfs/dbraw/zinc/16/98/29/946169829.db2.gz GLKONLMEECYMBG-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528315787 1032063393 /nfs/dbraw/zinc/06/33/93/1032063393.db2.gz ILNOVDVVFYFZDF-UHFFFAOYSA-N 1 2 337.423 3.667 20 0 EHADLO COc1cc(Br)ccc1C[N@H+](C)Cc1cnc(C)s1 ZINC000182117043 1032064771 /nfs/dbraw/zinc/06/47/71/1032064771.db2.gz OPTMQNFVUOBNDQ-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1cc(Br)ccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000182117043 1032064784 /nfs/dbraw/zinc/06/47/84/1032064784.db2.gz OPTMQNFVUOBNDQ-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)cn1 ZINC000536667807 1032065100 /nfs/dbraw/zinc/06/51/00/1032065100.db2.gz DJHLOBIKIKUXPR-UHFFFAOYSA-N 1 2 328.243 3.850 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)cn1 ZINC000536667807 1032065116 /nfs/dbraw/zinc/06/51/16/1032065116.db2.gz DJHLOBIKIKUXPR-UHFFFAOYSA-N 1 2 328.243 3.850 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459409675 1032074757 /nfs/dbraw/zinc/07/47/57/1032074757.db2.gz ROWVIKAHLHCBIE-OAHLLOKOSA-N 1 2 340.452 3.855 20 0 EHADLO CCOc1ccc(SCC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000339269076 1014135253 /nfs/dbraw/zinc/13/52/53/1014135253.db2.gz BSGBIPSBZQGZTA-UHFFFAOYSA-N 1 2 341.436 3.772 20 0 EHADLO CSCc1cnc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)s1 ZINC000339306456 1014196760 /nfs/dbraw/zinc/19/67/60/1014196760.db2.gz XCQNFTIYJIOQJF-UHFFFAOYSA-N 1 2 334.466 3.514 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC000579688782 1014202184 /nfs/dbraw/zinc/20/21/84/1014202184.db2.gz IRDKZFALGZPJJL-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cscc1-c1ccccc1 ZINC000579695991 1014212944 /nfs/dbraw/zinc/21/29/44/1014212944.db2.gz HAPOORBBLAEMDV-UHFFFAOYSA-N 1 2 325.437 3.822 20 0 EHADLO Cc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)nc(C(C)C)[nH+]1 ZINC000339358480 1014277543 /nfs/dbraw/zinc/27/75/43/1014277543.db2.gz HYGGXLFMFLABMM-MRXNPFEDSA-N 1 2 335.455 3.927 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@@H]3c3nccs3)nc[nH+]2)C1 ZINC001167048869 1014352782 /nfs/dbraw/zinc/35/27/82/1014352782.db2.gz UCMKTBIMUPPVGM-UONOGXRCSA-N 1 2 329.473 3.511 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@@H]3c3nccs3)[nH+]cn2)C1 ZINC001167048869 1014352792 /nfs/dbraw/zinc/35/27/92/1014352792.db2.gz UCMKTBIMUPPVGM-UONOGXRCSA-N 1 2 329.473 3.511 20 0 EHADLO CCCOc1c(C[N@H+](C)Cc2cnn(CC)c2)cccc1OCC ZINC000536668493 1032091496 /nfs/dbraw/zinc/09/14/96/1032091496.db2.gz HCOVDFGESNRJAA-UHFFFAOYSA-N 1 2 331.460 3.723 20 0 EHADLO CCCOc1c(C[N@@H+](C)Cc2cnn(CC)c2)cccc1OCC ZINC000536668493 1032091521 /nfs/dbraw/zinc/09/15/21/1032091521.db2.gz HCOVDFGESNRJAA-UHFFFAOYSA-N 1 2 331.460 3.723 20 0 EHADLO CC(=O)[C@@H](C)CCCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000547636954 1014577433 /nfs/dbraw/zinc/57/74/33/1014577433.db2.gz ZEFXRTBTGGJGJX-ZDUSSCGKSA-N 1 2 340.427 3.554 20 0 EHADLO CCc1cc(C(=O)Nc2cc(C)[nH+]cc2C)c2c(n1)onc2C(C)C ZINC000584303492 1032100938 /nfs/dbraw/zinc/10/09/38/1032100938.db2.gz RQXGFGBEMKCELG-UHFFFAOYSA-N 1 2 338.411 3.595 20 0 EHADLO NC(=O)C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000339532156 1014722162 /nfs/dbraw/zinc/72/21/62/1014722162.db2.gz RQAMCAIFZNJUTE-QGZVFWFLSA-N 1 2 337.448 3.516 20 0 EHADLO CON1CCC(N(C)c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000413359611 1014804273 /nfs/dbraw/zinc/80/42/73/1014804273.db2.gz HKWPFVARAIHFOC-UHFFFAOYSA-N 1 2 339.361 3.716 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2O1 ZINC000530503273 1014876138 /nfs/dbraw/zinc/87/61/38/1014876138.db2.gz XEYJXKKDGWQOBV-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538016324 1032105050 /nfs/dbraw/zinc/10/50/50/1032105050.db2.gz ZUUQGFOVLLINBE-XZJROXQQSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538016324 1032105045 /nfs/dbraw/zinc/10/50/45/1032105045.db2.gz ZUUQGFOVLLINBE-XZJROXQQSA-N 1 2 341.858 3.712 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000370764457 1015028141 /nfs/dbraw/zinc/02/81/41/1015028141.db2.gz XFGVCJNHDGEVSD-GOSISDBHSA-N 1 2 340.471 3.523 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000370764457 1015028153 /nfs/dbraw/zinc/02/81/53/1015028153.db2.gz XFGVCJNHDGEVSD-GOSISDBHSA-N 1 2 340.471 3.523 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000014923556 1015074468 /nfs/dbraw/zinc/07/44/68/1015074468.db2.gz HALFETHHVSZOJD-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000014923556 1015074480 /nfs/dbraw/zinc/07/44/80/1015074480.db2.gz HALFETHHVSZOJD-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538025668 1032109763 /nfs/dbraw/zinc/10/97/63/1032109763.db2.gz CMTKJFYVTNUXQP-IUIKQTSFSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538025668 1032109768 /nfs/dbraw/zinc/10/97/68/1032109768.db2.gz CMTKJFYVTNUXQP-IUIKQTSFSA-N 1 2 326.843 3.777 20 0 EHADLO c1nc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)n(-c2ccccc2)n1 ZINC000375594744 1015124214 /nfs/dbraw/zinc/12/42/14/1015124214.db2.gz FDTOSJLXAAXBRT-SFHVURJKSA-N 1 2 336.464 3.557 20 0 EHADLO c1nc(C[N@H+]2CCS[C@H](c3ccccc3)C2)n(-c2ccccc2)n1 ZINC000375594744 1015124222 /nfs/dbraw/zinc/12/42/22/1015124222.db2.gz FDTOSJLXAAXBRT-SFHVURJKSA-N 1 2 336.464 3.557 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1)C(C)C ZINC000070754297 1015210454 /nfs/dbraw/zinc/21/04/54/1015210454.db2.gz DDCOKYYLAIUYDC-LPHOPBHVSA-N 1 2 328.456 3.993 20 0 EHADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000510130585 1015510517 /nfs/dbraw/zinc/51/05/17/1015510517.db2.gz GEVVCBXNRCILTK-WOVMCDHWSA-N 1 2 332.469 3.640 20 0 EHADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000510130585 1015510531 /nfs/dbraw/zinc/51/05/31/1015510531.db2.gz GEVVCBXNRCILTK-WOVMCDHWSA-N 1 2 332.469 3.640 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccc12 ZINC001266318664 1015523756 /nfs/dbraw/zinc/52/37/56/1015523756.db2.gz XXPRFQKKEJBZSQ-MRXNPFEDSA-N 1 2 331.419 3.552 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000683257507 1015553972 /nfs/dbraw/zinc/55/39/72/1015553972.db2.gz WXHQTERMJAWFQY-SFHVURJKSA-N 1 2 339.483 3.804 20 0 EHADLO COCc1nc(C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)no1 ZINC000182654819 1032119048 /nfs/dbraw/zinc/11/90/48/1032119048.db2.gz YZPSEDJHXMDGGG-KRWDZBQOSA-N 1 2 329.444 3.593 20 0 EHADLO COCc1nc(C[N@H+]2CCCC[C@H]2CCCc2ccccc2)no1 ZINC000182654819 1032119054 /nfs/dbraw/zinc/11/90/54/1032119054.db2.gz YZPSEDJHXMDGGG-KRWDZBQOSA-N 1 2 329.444 3.593 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191529 990782943 /nfs/dbraw/zinc/78/29/43/990782943.db2.gz KUNWTBGANKVZQW-IUODEOHRSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191529 990782946 /nfs/dbraw/zinc/78/29/46/990782946.db2.gz KUNWTBGANKVZQW-IUODEOHRSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191542 990783065 /nfs/dbraw/zinc/78/30/65/990783065.db2.gz LALPEMKVSDOKPH-HUUCEWRRSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191542 990783072 /nfs/dbraw/zinc/78/30/72/990783072.db2.gz LALPEMKVSDOKPH-HUUCEWRRSA-N 1 2 345.270 3.535 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(C)noc1C ZINC000339756820 1015653266 /nfs/dbraw/zinc/65/32/66/1015653266.db2.gz OHCAEPSNYOCSHK-WFASDCNBSA-N 1 2 345.443 3.751 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000339824525 1015705514 /nfs/dbraw/zinc/70/55/14/1015705514.db2.gz HPGVKRKIAZSTOG-GOSISDBHSA-N 1 2 342.414 3.775 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(Cc2cccc(F)c2)CCC1 ZINC000274994172 1015720531 /nfs/dbraw/zinc/72/05/31/1015720531.db2.gz OOLRBVXBDOYQBN-MRXNPFEDSA-N 1 2 341.430 3.668 20 0 EHADLO CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001591623031 992892974 /nfs/dbraw/zinc/89/29/74/992892974.db2.gz MSPXJOPCSFIPKK-UHFFFAOYSA-N 1 2 342.439 3.607 20 0 EHADLO C[N@H+](CCOC(=O)c1ccccc1)Cc1nc2ccccc2s1 ZINC001209041301 1015761536 /nfs/dbraw/zinc/76/15/36/1015761536.db2.gz CQYDXUYQVGDLEL-UHFFFAOYSA-N 1 2 326.421 3.585 20 0 EHADLO C[N@@H+](CCOC(=O)c1ccccc1)Cc1nc2ccccc2s1 ZINC001209041301 1015761543 /nfs/dbraw/zinc/76/15/43/1015761543.db2.gz CQYDXUYQVGDLEL-UHFFFAOYSA-N 1 2 326.421 3.585 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000088255349 1015764468 /nfs/dbraw/zinc/76/44/68/1015764468.db2.gz YCFVWUMIQWUMDY-HXUWFJFHSA-N 1 2 337.398 3.708 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc2ccccc21 ZINC000060059530 1015791876 /nfs/dbraw/zinc/79/18/76/1015791876.db2.gz NMDCMKBFUCRZKG-UHFFFAOYSA-N 1 2 346.430 3.924 20 0 EHADLO C[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)Cn1cc[nH+]c1 ZINC000076921789 1015857245 /nfs/dbraw/zinc/85/72/45/1015857245.db2.gz KGJJPGDCYZVQOL-OAHLLOKOSA-N 1 2 344.422 3.637 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C4CCCC3CCC4)cn2c1 ZINC000610243518 1015941748 /nfs/dbraw/zinc/94/17/48/1015941748.db2.gz HHDAARFMDCSNRR-UHFFFAOYSA-N 1 2 343.496 3.810 20 0 EHADLO CCc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000081318224 1016051117 /nfs/dbraw/zinc/05/11/17/1016051117.db2.gz IZSKEHMEITXNCE-INIZCTEOSA-N 1 2 339.464 3.758 20 0 EHADLO COC[C@H](C)N(Cc1cccc(OC)c1)c1cc(C(C)C)[nH+]c(C)n1 ZINC001167118566 1016107339 /nfs/dbraw/zinc/10/73/39/1016107339.db2.gz DFOMAPQWKYDYBO-HNNXBMFYSA-N 1 2 343.471 3.959 20 0 EHADLO c1csc(CN(C[C@@H]2CCCO2)c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000340024613 1016136694 /nfs/dbraw/zinc/13/66/94/1016136694.db2.gz NGAAKQFORWNDMS-HNNXBMFYSA-N 1 2 344.484 3.546 20 0 EHADLO c1csc(CN(C[C@@H]2CCCO2)c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000340024613 1016136701 /nfs/dbraw/zinc/13/67/01/1016136701.db2.gz NGAAKQFORWNDMS-HNNXBMFYSA-N 1 2 344.484 3.546 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514856 1016143438 /nfs/dbraw/zinc/14/34/38/1016143438.db2.gz RXKACRIOUQLNKN-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514837 1016143452 /nfs/dbraw/zinc/14/34/52/1016143452.db2.gz OIPUNBCQTMIFLH-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000275224865 1016169386 /nfs/dbraw/zinc/16/93/86/1016169386.db2.gz DOOMURNWMWEHRC-ZDUSSCGKSA-N 1 2 340.452 3.795 20 0 EHADLO CC(C)COC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155125174 1016189652 /nfs/dbraw/zinc/18/96/52/1016189652.db2.gz XNUXGRMMNSIJQA-UHFFFAOYSA-N 1 2 331.485 3.842 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001625850170 1016202515 /nfs/dbraw/zinc/20/25/15/1016202515.db2.gz YITCUOKMHXGKNE-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO C[C@H]1[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC001594182722 998702689 /nfs/dbraw/zinc/70/26/89/998702689.db2.gz GBMRXSQPTGPIPF-LYSIVYOWSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@H]1[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC001594182722 998702693 /nfs/dbraw/zinc/70/26/93/998702693.db2.gz GBMRXSQPTGPIPF-LYSIVYOWSA-N 1 2 344.499 3.520 20 0 EHADLO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1C ZINC000022290281 1016326946 /nfs/dbraw/zinc/32/69/46/1016326946.db2.gz OVWUGUZIMISGBF-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000022290261 1016327048 /nfs/dbraw/zinc/32/70/48/1016327048.db2.gz MRZGRWGTPREOKN-UHFFFAOYSA-N 1 2 349.481 3.645 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000254930184 1016330967 /nfs/dbraw/zinc/33/09/67/1016330967.db2.gz HIQICGGJLHIFHW-PLNGDYQASA-N 1 2 335.451 3.579 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2ccc(F)cc2F)no1)c1ccccc1 ZINC000579888603 1016382971 /nfs/dbraw/zinc/38/29/71/1016382971.db2.gz FPVLCLPFYKXXOF-KRWDZBQOSA-N 1 2 329.350 3.590 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000683377650 1016478327 /nfs/dbraw/zinc/47/83/27/1016478327.db2.gz HZNPFTJQFMBRKR-GOSISDBHSA-N 1 2 347.462 3.968 20 0 EHADLO Cc1cccn2c(CNc3cccc(-c4n[nH]c(C5CC5)n4)c3)c[nH+]c12 ZINC000119366143 1016514312 /nfs/dbraw/zinc/51/43/12/1016514312.db2.gz GBHDVPQIWVQKKM-UHFFFAOYSA-N 1 2 344.422 3.917 20 0 EHADLO CCOC(=O)[C@H]1CCN(c2[nH+]ccc(F)c2C)C[C@H]1c1ccccc1 ZINC001167194860 1016534623 /nfs/dbraw/zinc/53/46/23/1016534623.db2.gz DJDFNPLQVQDBNL-IRXDYDNUSA-N 1 2 342.414 3.702 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)c2C1 ZINC000340164411 1016543880 /nfs/dbraw/zinc/54/38/80/1016543880.db2.gz NXBKCGHWEZMHRA-UHFFFAOYSA-N 1 2 347.418 3.506 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)c2C1 ZINC000340164411 1016543888 /nfs/dbraw/zinc/54/38/88/1016543888.db2.gz NXBKCGHWEZMHRA-UHFFFAOYSA-N 1 2 347.418 3.506 20 0 EHADLO Fc1cccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000326691251 1016565511 /nfs/dbraw/zinc/56/55/11/1016565511.db2.gz QZVNSSPOVDCVHZ-UHFFFAOYSA-N 1 2 333.370 3.609 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3C[C@H]3c3ccccc3)c12 ZINC000326702538 1016577574 /nfs/dbraw/zinc/57/75/74/1016577574.db2.gz VKIBEEREJGLGCB-FUHWJXTLSA-N 1 2 327.391 3.784 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3C[C@H]3c3ccccc3)c12 ZINC000326702552 1016577723 /nfs/dbraw/zinc/57/77/23/1016577723.db2.gz VKIBEEREJGLGCB-WMZOPIPTSA-N 1 2 327.391 3.784 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000340250163 1016787461 /nfs/dbraw/zinc/78/74/61/1016787461.db2.gz HWDCOHPXQNCFJY-PIGZYNQJSA-N 1 2 346.356 3.705 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340263693 1016816789 /nfs/dbraw/zinc/81/67/89/1016816789.db2.gz KGNSSLDJSRZZME-OAGGEKHMSA-N 1 2 334.464 3.687 20 0 EHADLO CO[C@H](C[N@@H+]1CCn2nc(C3CC3)cc2C1)c1ccc(Cl)cc1 ZINC000932603986 1016830322 /nfs/dbraw/zinc/83/03/22/1016830322.db2.gz GPAVOPFLJHMFLI-GOSISDBHSA-N 1 2 331.847 3.617 20 0 EHADLO CO[C@H](C[N@H+]1CCn2nc(C3CC3)cc2C1)c1ccc(Cl)cc1 ZINC000932603986 1016830333 /nfs/dbraw/zinc/83/03/33/1016830333.db2.gz GPAVOPFLJHMFLI-GOSISDBHSA-N 1 2 331.847 3.617 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccs2)C[C@H](C)O1 ZINC000046342228 1016859104 /nfs/dbraw/zinc/85/91/04/1016859104.db2.gz UJXUMQPUMBDJSL-KBPBESRZSA-N 1 2 330.453 3.610 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000237107428 1016856997 /nfs/dbraw/zinc/85/69/97/1016856997.db2.gz INPFDKDEKVSUAF-KRWDZBQOSA-N 1 2 338.432 3.809 20 0 EHADLO CN(C)c1cc(COc2ccc(Br)cc2F)cc[nH+]1 ZINC000782110595 1016883629 /nfs/dbraw/zinc/88/36/29/1016883629.db2.gz NYGNCASMVNMEPH-UHFFFAOYSA-N 1 2 325.181 3.628 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(O)c1 ZINC000181566957 1016927895 /nfs/dbraw/zinc/92/78/95/1016927895.db2.gz XDUMKHYNFUXHJR-LLVKDONJSA-N 1 2 329.787 3.946 20 0 EHADLO CC(C)c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023863272 1016983937 /nfs/dbraw/zinc/98/39/37/1016983937.db2.gz BRGSTNSJPDWPQS-UHFFFAOYSA-N 1 2 342.420 3.763 20 0 EHADLO COc1cccc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000904600917 1032152863 /nfs/dbraw/zinc/15/28/63/1032152863.db2.gz KPEHRLNCGXDPDX-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000536695895 1032155063 /nfs/dbraw/zinc/15/50/63/1032155063.db2.gz DPBKANYFPUAQJC-UHFFFAOYSA-N 1 2 327.472 3.981 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000536695895 1032155069 /nfs/dbraw/zinc/15/50/69/1032155069.db2.gz DPBKANYFPUAQJC-UHFFFAOYSA-N 1 2 327.472 3.981 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000538142987 1032163991 /nfs/dbraw/zinc/16/39/91/1032163991.db2.gz COWORFXHKIGLJA-SNVBAGLBSA-N 1 2 341.379 3.987 20 0 EHADLO C[C@H]1C[C@H](NCc2ccc(O)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379625611 1032182735 /nfs/dbraw/zinc/18/27/35/1032182735.db2.gz FWRARHXBISILAA-MAUKXSAKSA-N 1 2 328.431 3.674 20 0 EHADLO C[C@H]1C[C@H](NCc2ccc(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379625611 1032182743 /nfs/dbraw/zinc/18/27/43/1032182743.db2.gz FWRARHXBISILAA-MAUKXSAKSA-N 1 2 328.431 3.674 20 0 EHADLO C[N@H+](CCc1ccccc1O)Cc1cccc(O)c1Br ZINC000459488394 1032183377 /nfs/dbraw/zinc/18/33/77/1032183377.db2.gz UPQXWNXCBVCSTO-UHFFFAOYSA-N 1 2 336.229 3.535 20 0 EHADLO C[N@@H+](CCc1ccccc1O)Cc1cccc(O)c1Br ZINC000459488394 1032183392 /nfs/dbraw/zinc/18/33/92/1032183392.db2.gz UPQXWNXCBVCSTO-UHFFFAOYSA-N 1 2 336.229 3.535 20 0 EHADLO CC[NH+](Cc1ccc2nc[nH]c2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708981 1032186987 /nfs/dbraw/zinc/18/69/87/1032186987.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 2 348.494 3.907 20 0 EHADLO CC[NH+](Cc1ccc2nc[nH]c2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708981 1032186995 /nfs/dbraw/zinc/18/69/95/1032186995.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 2 348.494 3.907 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000428449213 1032192029 /nfs/dbraw/zinc/19/20/29/1032192029.db2.gz SKHDIIPAHYBGGV-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c(Cl)c1 ZINC000459500245 1032200890 /nfs/dbraw/zinc/20/08/90/1032200890.db2.gz GEDZSJDWGHGNOX-ZDUSSCGKSA-N 1 2 327.827 3.557 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c(Cl)c1 ZINC000459500245 1032200904 /nfs/dbraw/zinc/20/09/04/1032200904.db2.gz GEDZSJDWGHGNOX-ZDUSSCGKSA-N 1 2 327.827 3.557 20 0 EHADLO Oc1cccc(C[NH+]2CCN(Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000183969319 1032218800 /nfs/dbraw/zinc/21/88/00/1032218800.db2.gz ZDXOWLXEIKMAGI-UHFFFAOYSA-N 1 2 332.394 3.648 20 0 EHADLO COCc1cc(C[N@H+](C)CCOc2ccccc2C(C)(C)C)no1 ZINC000459507930 1032231216 /nfs/dbraw/zinc/23/12/16/1032231216.db2.gz ILYBXLZYYWIYHG-UHFFFAOYSA-N 1 2 332.444 3.629 20 0 EHADLO COCc1cc(C[N@@H+](C)CCOc2ccccc2C(C)(C)C)no1 ZINC000459507930 1032231227 /nfs/dbraw/zinc/23/12/27/1032231227.db2.gz ILYBXLZYYWIYHG-UHFFFAOYSA-N 1 2 332.444 3.629 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000459523358 1032243950 /nfs/dbraw/zinc/24/39/50/1032243950.db2.gz IXYYWUZDVGQCCP-PIGZYNQJSA-N 1 2 331.485 3.581 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000459523358 1032243963 /nfs/dbraw/zinc/24/39/63/1032243963.db2.gz IXYYWUZDVGQCCP-PIGZYNQJSA-N 1 2 331.485 3.581 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cscn1 ZINC000647330320 1032247880 /nfs/dbraw/zinc/24/78/80/1032247880.db2.gz GYHPOFJKNRZLKE-GWCFXTLKSA-N 1 2 346.374 3.816 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccco1 ZINC000449173318 1032267512 /nfs/dbraw/zinc/26/75/12/1032267512.db2.gz FLUHGBAQKRSYIP-QGZVFWFLSA-N 1 2 342.464 3.999 20 0 EHADLO C[C@H]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000536802548 1032282851 /nfs/dbraw/zinc/28/28/51/1032282851.db2.gz YWMARSZSIJBVCF-WMZOPIPTSA-N 1 2 329.488 3.905 20 0 EHADLO COC(=O)C1(C[N@@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000459585106 1032285405 /nfs/dbraw/zinc/28/54/05/1032285405.db2.gz BRJBYFUXADJZFI-HNNXBMFYSA-N 1 2 347.846 3.697 20 0 EHADLO COC(=O)C1(C[N@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000459585106 1032285416 /nfs/dbraw/zinc/28/54/16/1032285416.db2.gz BRJBYFUXADJZFI-HNNXBMFYSA-N 1 2 347.846 3.697 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459591469 1032312137 /nfs/dbraw/zinc/31/21/37/1032312137.db2.gz ZVDGLRHJGYAEOM-UHFFFAOYSA-N 1 2 330.453 3.532 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1Cc2sccc2CC1(C)C ZINC000459591469 1032312150 /nfs/dbraw/zinc/31/21/50/1032312150.db2.gz ZVDGLRHJGYAEOM-UHFFFAOYSA-N 1 2 330.453 3.532 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184844571 1032325380 /nfs/dbraw/zinc/32/53/80/1032325380.db2.gz AJVCOAIYRIXNKT-INIZCTEOSA-N 1 2 349.434 3.617 20 0 EHADLO COCC[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CC=CCC1 ZINC000485137707 1032337598 /nfs/dbraw/zinc/33/75/98/1032337598.db2.gz XYWDIYMIAAHDMU-MRXNPFEDSA-N 1 2 333.476 3.922 20 0 EHADLO COCC[N@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CC=CCC1 ZINC000485137707 1032337614 /nfs/dbraw/zinc/33/76/14/1032337614.db2.gz XYWDIYMIAAHDMU-MRXNPFEDSA-N 1 2 333.476 3.922 20 0 EHADLO COc1cc(CNc2ccc(N3CCOCC3)[nH+]c2)cc2ccccc21 ZINC000449221542 1032337773 /nfs/dbraw/zinc/33/77/73/1032337773.db2.gz KKUQZPOQVAYYJO-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CC(=O)N[C@H](C)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449248779 1032353639 /nfs/dbraw/zinc/35/36/39/1032353639.db2.gz KGDOHBVVPFTMAD-SECBINFHSA-N 1 2 335.300 3.792 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)nc2c1 ZINC000528486882 1032376255 /nfs/dbraw/zinc/37/62/55/1032376255.db2.gz KHOBJODPTHMYLI-VCBZYWHSSA-N 1 2 346.496 3.763 20 0 EHADLO Cc1ccc2sc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)nc2c1 ZINC000528486882 1032376264 /nfs/dbraw/zinc/37/62/64/1032376264.db2.gz KHOBJODPTHMYLI-VCBZYWHSSA-N 1 2 346.496 3.763 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@@H+]2CCc3ncsc3C2)s1 ZINC000449267075 1032385990 /nfs/dbraw/zinc/38/59/90/1032385990.db2.gz YFCPNCSLFLKRJY-UHFFFAOYSA-N 1 2 331.441 3.964 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@H+]2CCc3ncsc3C2)s1 ZINC000449267075 1032386000 /nfs/dbraw/zinc/38/60/00/1032386000.db2.gz YFCPNCSLFLKRJY-UHFFFAOYSA-N 1 2 331.441 3.964 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185463906 1032398713 /nfs/dbraw/zinc/39/87/13/1032398713.db2.gz WGJDKXNYDWRWAI-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000449297359 1032415837 /nfs/dbraw/zinc/41/58/37/1032415837.db2.gz CLRQPCCSLBWXJT-HNAYVOBHSA-N 1 2 349.471 3.707 20 0 EHADLO Cc1ncc(C[NH2+]Cc2cc(Cl)c(C)cc2Br)o1 ZINC000459699026 1032423201 /nfs/dbraw/zinc/42/32/01/1032423201.db2.gz NDCUXNLPDGUXNB-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000449326350 1032437504 /nfs/dbraw/zinc/43/75/04/1032437504.db2.gz UWMKUBAXGXDVOD-LBPRGKRZSA-N 1 2 339.313 3.651 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000459755454 1032448665 /nfs/dbraw/zinc/44/86/65/1032448665.db2.gz ORGNQXYHSVMWJY-CYBMUJFWSA-N 1 2 349.475 3.718 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000459755454 1032448673 /nfs/dbraw/zinc/44/86/73/1032448673.db2.gz ORGNQXYHSVMWJY-CYBMUJFWSA-N 1 2 349.475 3.718 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(Br)c1F)C1CC1 ZINC000449323507 1032453828 /nfs/dbraw/zinc/45/38/28/1032453828.db2.gz VUKQUMYGBHIRGH-AWEZNQCLSA-N 1 2 338.224 3.563 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)C(F)F ZINC000449364797 1032477764 /nfs/dbraw/zinc/47/77/64/1032477764.db2.gz UDTVNMPOPSFSRA-HNNXBMFYSA-N 1 2 336.382 3.803 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459795826 1032478252 /nfs/dbraw/zinc/47/82/52/1032478252.db2.gz QUNATBKHKJQDSI-KKUMJFAQSA-N 1 2 328.460 3.611 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cs1 ZINC000449372635 1032487229 /nfs/dbraw/zinc/48/72/29/1032487229.db2.gz KAPOYYNMWGLIBZ-GFCCVEGCSA-N 1 2 335.448 3.814 20 0 EHADLO Cc1sc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1-c1ccc(F)cc1 ZINC000087121161 1032497506 /nfs/dbraw/zinc/49/75/06/1032497506.db2.gz FAFBBWSMPXSCTO-GFCCVEGCSA-N 1 2 343.427 3.878 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000170250488 1032502167 /nfs/dbraw/zinc/50/21/67/1032502167.db2.gz KMAKKTOPYYCOPA-FQEVSTJZSA-N 1 2 345.446 3.675 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1C ZINC000537046964 1032502555 /nfs/dbraw/zinc/50/25/55/1032502555.db2.gz WBNOFVFTOKPYRW-QAPCUYQASA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1C ZINC000537046964 1032502557 /nfs/dbraw/zinc/50/25/57/1032502557.db2.gz WBNOFVFTOKPYRW-QAPCUYQASA-N 1 2 343.423 3.818 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000537068230 1032506008 /nfs/dbraw/zinc/50/60/08/1032506008.db2.gz VKEGDCYVIYFRJD-CYBMUJFWSA-N 1 2 337.379 3.625 20 0 EHADLO O=c1[nH]c(C[NH2+]C2(c3cccc(F)c3)CC2)nc2cc(Cl)ccc12 ZINC000537087694 1032515696 /nfs/dbraw/zinc/51/56/96/1032515696.db2.gz CQTJNHKOIXAXJH-UHFFFAOYSA-N 1 2 343.789 3.907 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000459915306 1032525513 /nfs/dbraw/zinc/52/55/13/1032525513.db2.gz AUZAUJSMLPXBJF-SJCJKPOMSA-N 1 2 330.453 3.957 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000449418167 1032553320 /nfs/dbraw/zinc/55/33/20/1032553320.db2.gz BNUDSBIUYVFVKK-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000449418167 1032553324 /nfs/dbraw/zinc/55/33/24/1032553324.db2.gz BNUDSBIUYVFVKK-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000449418165 1032553381 /nfs/dbraw/zinc/55/33/81/1032553381.db2.gz BNUDSBIUYVFVKK-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000449418165 1032553385 /nfs/dbraw/zinc/55/33/85/1032553385.db2.gz BNUDSBIUYVFVKK-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO Cn1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(C(C)(C)C)n1 ZINC000537206892 1032561449 /nfs/dbraw/zinc/56/14/49/1032561449.db2.gz CQFCVLWOLCBUAU-UHFFFAOYSA-N 1 2 346.906 3.693 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CC3)o2)c(C)o1 ZINC000089912256 1032561886 /nfs/dbraw/zinc/56/18/86/1032561886.db2.gz CECQGYVQMUWQIV-UHFFFAOYSA-N 1 2 327.359 3.864 20 0 EHADLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000592998562 1032633510 /nfs/dbraw/zinc/63/35/10/1032633510.db2.gz BQPHAOWBFCOWCV-NSHDSACASA-N 1 2 349.456 3.582 20 0 EHADLO OC[C@@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349088 1032656643 /nfs/dbraw/zinc/65/66/43/1032656643.db2.gz VDGFZBWCKQOCJZ-UKRRQHHQSA-N 1 2 334.872 3.736 20 0 EHADLO OC[C@@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349088 1032656646 /nfs/dbraw/zinc/65/66/46/1032656646.db2.gz VDGFZBWCKQOCJZ-UKRRQHHQSA-N 1 2 334.872 3.736 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611865543 1032657877 /nfs/dbraw/zinc/65/78/77/1032657877.db2.gz JDYXBJHHMVMSMR-NSNWQYSKSA-N 1 2 345.874 3.828 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537363948 1032660956 /nfs/dbraw/zinc/66/09/56/1032660956.db2.gz VASAYSAKGDVNGC-UHFFFAOYSA-N 1 2 348.328 3.907 20 0 EHADLO CSCc1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602133633 1032663601 /nfs/dbraw/zinc/66/36/01/1032663601.db2.gz BJSCXMVBNUWNFI-ZDUSSCGKSA-N 1 2 343.374 3.878 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCNc1cccc[nH+]1 ZINC000597772653 1032670395 /nfs/dbraw/zinc/67/03/95/1032670395.db2.gz KVZALALHAOJCJL-UHFFFAOYSA-N 1 2 341.499 3.996 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)[C@@H](C)CSc2ccccc2)n1 ZINC000593045038 1032678137 /nfs/dbraw/zinc/67/81/37/1032678137.db2.gz FWRZMLJSNKHHOK-LBPRGKRZSA-N 1 2 336.482 3.542 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)n1 ZINC000593045038 1032678148 /nfs/dbraw/zinc/67/81/48/1032678148.db2.gz FWRZMLJSNKHHOK-LBPRGKRZSA-N 1 2 336.482 3.542 20 0 EHADLO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000547883751 1017183137 /nfs/dbraw/zinc/18/31/37/1017183137.db2.gz CMHNNIBZGLWPCV-RDJZCZTQSA-N 1 2 329.444 3.981 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000613628296 1017264792 /nfs/dbraw/zinc/26/47/92/1017264792.db2.gz IHZADCWVBXVPTM-IAGOWNOFSA-N 1 2 343.858 3.583 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377067054 1017297601 /nfs/dbraw/zinc/29/76/01/1017297601.db2.gz KWSZUVBCGIIUGF-CYBMUJFWSA-N 1 2 338.436 3.900 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 ZINC000655621743 1017308717 /nfs/dbraw/zinc/30/87/17/1017308717.db2.gz SZRYZCNMTPASEE-YLJYHZDGSA-N 1 2 338.455 3.502 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000890940412 1017404362 /nfs/dbraw/zinc/40/43/62/1017404362.db2.gz ITZLYFSNTKQEIJ-INIZCTEOSA-N 1 2 329.444 3.648 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc(Br)cc1F ZINC000655768185 1017553758 /nfs/dbraw/zinc/55/37/58/1017553758.db2.gz RMAWLZPPJHVLPF-QMTHXVAHSA-N 1 2 338.224 3.970 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cn2nccc2-c2ccncc2)[C@@H](C)CO1 ZINC000247237560 1017581297 /nfs/dbraw/zinc/58/12/97/1017581297.db2.gz XPNVFDPWFOSHQH-UWJYYQICSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cn2nccc2-c2ccncc2)[C@@H](C)CO1 ZINC000247237560 1017581314 /nfs/dbraw/zinc/58/13/14/1017581314.db2.gz XPNVFDPWFOSHQH-UWJYYQICSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nnc(C(C)C)[nH]3)s2)cc1C ZINC000655778853 1017585552 /nfs/dbraw/zinc/58/55/52/1017585552.db2.gz VHVLWDZAYWOXBF-UHFFFAOYSA-N 1 2 341.484 3.958 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cs1 ZINC000892861228 1017602239 /nfs/dbraw/zinc/60/22/39/1017602239.db2.gz SOKJYUYGKHTVEV-UHFFFAOYSA-N 1 2 344.358 3.613 20 0 EHADLO c1ccc([C@@H]2CCCC[C@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)cc1 ZINC000655793650 1017621020 /nfs/dbraw/zinc/62/10/20/1017621020.db2.gz ANRLQSZBWDFQSQ-FGTMMUONSA-N 1 2 340.471 3.862 20 0 EHADLO COc1ccc([C@@H](CC(C)C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796662 1017629966 /nfs/dbraw/zinc/62/99/66/1017629966.db2.gz HOVZXYTZINSZQD-SJORKVTESA-N 1 2 344.459 3.542 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796828 1017632844 /nfs/dbraw/zinc/63/28/44/1017632844.db2.gz JMIYWTUWPRFMED-SWLSCSKDSA-N 1 2 332.473 3.619 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796829 1017636381 /nfs/dbraw/zinc/63/63/81/1017636381.db2.gz JMIYWTUWPRFMED-WFASDCNBSA-N 1 2 332.473 3.619 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)C1CCCC1 ZINC000655798057 1017637800 /nfs/dbraw/zinc/63/78/00/1017637800.db2.gz VVQQDJLXBPZLBY-MJGOQNOKSA-N 1 2 340.471 3.986 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000177587516 1017701408 /nfs/dbraw/zinc/70/14/08/1017701408.db2.gz ZJPRUGXASWZFRF-SNVBAGLBSA-N 1 2 332.766 3.775 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000377382229 1017724050 /nfs/dbraw/zinc/72/40/50/1017724050.db2.gz KPIPQLLHANDDOD-BMLIUANNSA-N 1 2 331.778 3.739 20 0 EHADLO COc1coc(C[N@H+]2CC=C(c3ccc(Cl)cc3C)CC2)cc1=O ZINC000528742575 1032719282 /nfs/dbraw/zinc/71/92/82/1032719282.db2.gz WZCHPVRKAQGEAW-UHFFFAOYSA-N 1 2 345.826 3.900 20 0 EHADLO COc1coc(C[N@@H+]2CC=C(c3ccc(Cl)cc3C)CC2)cc1=O ZINC000528742575 1032719297 /nfs/dbraw/zinc/71/92/97/1032719297.db2.gz WZCHPVRKAQGEAW-UHFFFAOYSA-N 1 2 345.826 3.900 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ncc(Br)cn1 ZINC000340425131 1017738261 /nfs/dbraw/zinc/73/82/61/1017738261.db2.gz LPKYFTRFMUPGHF-XPTSAGLGSA-N 1 2 336.208 3.716 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000377394969 1017747815 /nfs/dbraw/zinc/74/78/15/1017747815.db2.gz ZKKPEVJWZLNYSZ-GXTWGEPZSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000377394969 1017747828 /nfs/dbraw/zinc/74/78/28/1017747828.db2.gz ZKKPEVJWZLNYSZ-GXTWGEPZSA-N 1 2 332.245 3.790 20 0 EHADLO COc1cc(Br)c(Nc2c[nH+]c(C)c(N)c2)cc1F ZINC001210289190 1017751219 /nfs/dbraw/zinc/75/12/19/1017751219.db2.gz AYMSRSLHMAJLDK-UHFFFAOYSA-N 1 2 326.169 3.626 20 0 EHADLO COc1cc(Cl)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000377429016 1017791939 /nfs/dbraw/zinc/79/19/39/1017791939.db2.gz CVVWCIHJCWWNHT-CYBMUJFWSA-N 1 2 348.834 3.723 20 0 EHADLO CCCCc1nc(C)c(CC(=O)Nc2ccn3cc[nH+]c3c2)s1 ZINC000891016219 1017808431 /nfs/dbraw/zinc/80/84/31/1017808431.db2.gz IUYGOQRMWCDPMY-UHFFFAOYSA-N 1 2 328.441 3.623 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(Cc2ccccc2)CCCCC1 ZINC000613673202 1017836242 /nfs/dbraw/zinc/83/62/42/1017836242.db2.gz PLCVYIYNACHXPE-UHFFFAOYSA-N 1 2 339.483 3.973 20 0 EHADLO CC[N@H+](Cc1ccncc1)Cc1cc(F)c(O)c(Br)c1 ZINC001232630479 1032732126 /nfs/dbraw/zinc/73/21/26/1032732126.db2.gz SQQQJHMAUKFKEF-UHFFFAOYSA-N 1 2 339.208 3.711 20 0 EHADLO CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(O)c(Br)c1 ZINC001232630479 1032732135 /nfs/dbraw/zinc/73/21/35/1032732135.db2.gz SQQQJHMAUKFKEF-UHFFFAOYSA-N 1 2 339.208 3.711 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122318501 1017903789 /nfs/dbraw/zinc/90/37/89/1017903789.db2.gz UQGLFYACLATZEL-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122318501 1017903799 /nfs/dbraw/zinc/90/37/99/1017903799.db2.gz UQGLFYACLATZEL-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000341029103 1017926938 /nfs/dbraw/zinc/92/69/38/1017926938.db2.gz VANUISHNMQRKAB-DLBZAZTESA-N 1 2 330.472 3.674 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)Nc1ccon1 ZINC000683680800 1017974507 /nfs/dbraw/zinc/97/45/07/1017974507.db2.gz LNWAUVZHBBRVJE-UHFFFAOYSA-N 1 2 340.210 3.589 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000574185888 1032736011 /nfs/dbraw/zinc/73/60/11/1032736011.db2.gz CJFZDQPXAIGHSS-AWEZNQCLSA-N 1 2 340.254 3.954 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000574185888 1032736015 /nfs/dbraw/zinc/73/60/15/1032736015.db2.gz CJFZDQPXAIGHSS-AWEZNQCLSA-N 1 2 340.254 3.954 20 0 EHADLO c1nnn(-c2ccccc2)c1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000377567595 1017999918 /nfs/dbraw/zinc/99/99/18/1017999918.db2.gz QADZPBYPUVDQHY-NRFANRHFSA-N 1 2 341.418 3.542 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000349254166 1018069029 /nfs/dbraw/zinc/06/90/29/1018069029.db2.gz YENHKRBTJIPTEC-IUCAKERBSA-N 1 2 328.199 3.659 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)on1 ZINC000047273581 1018089861 /nfs/dbraw/zinc/08/98/61/1018089861.db2.gz PRKPXTCPIWFMFB-XJKSGUPXSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)on1 ZINC000047273581 1018089873 /nfs/dbraw/zinc/08/98/73/1018089873.db2.gz PRKPXTCPIWFMFB-XJKSGUPXSA-N 1 2 347.846 3.651 20 0 EHADLO C[N@@H+]1CC[C@H]1CN[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000926889595 1018128155 /nfs/dbraw/zinc/12/81/55/1018128155.db2.gz LTIQUMFXCKICGS-YOEHRIQHSA-N 1 2 336.266 3.772 20 0 EHADLO C[N@H+]1CC[C@H]1CN[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000926889595 1018128164 /nfs/dbraw/zinc/12/81/64/1018128164.db2.gz LTIQUMFXCKICGS-YOEHRIQHSA-N 1 2 336.266 3.772 20 0 EHADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Br ZINC000745081462 1018153829 /nfs/dbraw/zinc/15/38/29/1018153829.db2.gz ZKEHZBPENWYYQM-RISCZKNCSA-N 1 2 326.234 3.538 20 0 EHADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1Br ZINC000745081462 1018153836 /nfs/dbraw/zinc/15/38/36/1018153836.db2.gz ZKEHZBPENWYYQM-RISCZKNCSA-N 1 2 326.234 3.538 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593080059 1032750981 /nfs/dbraw/zinc/75/09/81/1032750981.db2.gz DDOUAYHRNYDHHA-AWEZNQCLSA-N 1 2 348.443 3.666 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593080059 1032750999 /nfs/dbraw/zinc/75/09/99/1032750999.db2.gz DDOUAYHRNYDHHA-AWEZNQCLSA-N 1 2 348.443 3.666 20 0 EHADLO Fc1ccccc1-c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000548026396 1018351504 /nfs/dbraw/zinc/35/15/04/1018351504.db2.gz MPTYRZLSRKZFDY-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 ZINC000340542828 1018366496 /nfs/dbraw/zinc/36/64/96/1018366496.db2.gz OBHVTTYBVCWGAK-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001143500223 1018373909 /nfs/dbraw/zinc/37/39/09/1018373909.db2.gz YKYZLMNRUVGSAT-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001143500223 1018373915 /nfs/dbraw/zinc/37/39/15/1018373915.db2.gz YKYZLMNRUVGSAT-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(F)cc1 ZINC000683765351 1018409793 /nfs/dbraw/zinc/40/97/93/1018409793.db2.gz JDXYCARNIVOSMY-FQEVSTJZSA-N 1 2 346.409 3.987 20 0 EHADLO COc1ccc(OC)c(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1 ZINC000340557257 1018434342 /nfs/dbraw/zinc/43/43/42/1018434342.db2.gz ZYAOWIAVIBYTHC-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583447 1032766145 /nfs/dbraw/zinc/76/61/45/1032766145.db2.gz BJFQDBALPGMYDG-MRXNPFEDSA-N 1 2 336.395 3.542 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC(F)(F)C[C@H]3C)n2)ccc1F ZINC000528766437 1032766741 /nfs/dbraw/zinc/76/67/41/1032766741.db2.gz LATVROVYXRVERX-LLVKDONJSA-N 1 2 325.334 3.804 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@H]3C)n2)ccc1F ZINC000528766437 1032766756 /nfs/dbraw/zinc/76/67/56/1032766756.db2.gz LATVROVYXRVERX-LLVKDONJSA-N 1 2 325.334 3.804 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000606583668 1032767869 /nfs/dbraw/zinc/76/78/69/1032767869.db2.gz JUHYBNUBMBFMLR-IBGZPJMESA-N 1 2 343.390 3.640 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000606582828 1032768005 /nfs/dbraw/zinc/76/80/05/1032768005.db2.gz FUHAMJPYANEIDP-OAHLLOKOSA-N 1 2 340.358 3.509 20 0 EHADLO CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582870 1032768461 /nfs/dbraw/zinc/76/84/61/1032768461.db2.gz GXTWBBDXMAZOAV-UHFFFAOYSA-N 1 2 332.766 3.791 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548047164 1018515095 /nfs/dbraw/zinc/51/50/95/1018515095.db2.gz SHOSUZIBGIXPFN-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548047164 1018515103 /nfs/dbraw/zinc/51/51/03/1018515103.db2.gz SHOSUZIBGIXPFN-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000340579037 1018567199 /nfs/dbraw/zinc/56/71/99/1018567199.db2.gz LQURYPFEFNGAPM-KRWDZBQOSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000340579037 1018567209 /nfs/dbraw/zinc/56/72/09/1018567209.db2.gz LQURYPFEFNGAPM-KRWDZBQOSA-N 1 2 327.449 3.595 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893132157 1018588274 /nfs/dbraw/zinc/58/82/74/1018588274.db2.gz LMZDCWLGKHMGLP-GFCCVEGCSA-N 1 2 328.359 3.948 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCOC3CCCCC3)ccc2[nH+]1 ZINC000340598665 1018609774 /nfs/dbraw/zinc/60/97/74/1018609774.db2.gz UVTBMOAQQFFIIW-UHFFFAOYSA-N 1 2 330.432 3.504 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC000580092924 1018631332 /nfs/dbraw/zinc/63/13/32/1018631332.db2.gz UVVZYKWWXIMVDM-INIZCTEOSA-N 1 2 325.456 3.525 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCCC2)c1 ZINC000580092924 1018631339 /nfs/dbraw/zinc/63/13/39/1018631339.db2.gz UVVZYKWWXIMVDM-INIZCTEOSA-N 1 2 325.456 3.525 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000606642236 1032778482 /nfs/dbraw/zinc/77/84/82/1032778482.db2.gz RTROXSCXYADFLP-WMZOPIPTSA-N 1 2 344.503 3.661 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660389 1032786274 /nfs/dbraw/zinc/78/62/74/1032786274.db2.gz GEEHDLHTKMDREY-QFBILLFUSA-N 1 2 329.488 3.612 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2ccc(F)cc2Br)o1 ZINC000291784798 1018837146 /nfs/dbraw/zinc/83/71/46/1018837146.db2.gz OZSWCIJDTZGVEV-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO Cc1[nH]c(=O)ccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614354715 1018833801 /nfs/dbraw/zinc/83/38/01/1018833801.db2.gz XLAMUVMMNQNYDK-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000433456280 1018836157 /nfs/dbraw/zinc/83/61/57/1018836157.db2.gz LTJHBQPKZQYDTB-XMMPIXPASA-N 1 2 344.411 3.800 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000449563833 1032788684 /nfs/dbraw/zinc/78/86/84/1032788684.db2.gz YXCAACRWYDXTNU-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000172586638 1032795923 /nfs/dbraw/zinc/79/59/23/1032795923.db2.gz WHDIXWHXWGWSMG-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000172586638 1032795946 /nfs/dbraw/zinc/79/59/46/1032795946.db2.gz WHDIXWHXWGWSMG-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC2(C)CC2)C[C@H](C)O1 ZINC000279966351 1018947772 /nfs/dbraw/zinc/94/77/72/1018947772.db2.gz IPODHPXWGXJGDY-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC2(C)CC2)C[C@H](C)O1 ZINC000279966351 1018947786 /nfs/dbraw/zinc/94/77/86/1018947786.db2.gz IPODHPXWGXJGDY-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048331477 1018957880 /nfs/dbraw/zinc/95/78/80/1018957880.db2.gz CNXFLQUNBDXNGB-XJKSGUPXSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048331477 1018957885 /nfs/dbraw/zinc/95/78/85/1018957885.db2.gz CNXFLQUNBDXNGB-XJKSGUPXSA-N 1 2 325.441 3.622 20 0 EHADLO CCC[C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000580318157 1019014762 /nfs/dbraw/zinc/01/47/62/1019014762.db2.gz QXYLJUUIXPJBRF-HNNXBMFYSA-N 1 2 348.468 3.615 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)NCc2nc(C[NH+](C)C)cs2)CC(C)(C)C1 ZINC000927770103 1019031854 /nfs/dbraw/zinc/03/18/54/1019031854.db2.gz QLFNQMHPRUNPFB-ZIAGYGMSSA-N 1 2 337.533 3.673 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642657 1019055616 /nfs/dbraw/zinc/05/56/16/1019055616.db2.gz NGPPULBUATXQMD-INIZCTEOSA-N 1 2 325.456 3.792 20 0 EHADLO CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000124944266 1019090786 /nfs/dbraw/zinc/09/07/86/1019090786.db2.gz XBHOQAFIUBWYPU-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@]3(CC=CCC3)C1)C2 ZINC000476070501 1032812951 /nfs/dbraw/zinc/81/29/51/1032812951.db2.gz HZRJWXPAAWXOTK-IERDGZPVSA-N 1 2 341.499 3.987 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@]3(CC=CCC3)C1)CC2 ZINC000476070501 1032812966 /nfs/dbraw/zinc/81/29/66/1032812966.db2.gz HZRJWXPAAWXOTK-IERDGZPVSA-N 1 2 341.499 3.987 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000580372607 1019210741 /nfs/dbraw/zinc/21/07/41/1019210741.db2.gz WHSACLYACHOXAL-HOTGVXAUSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000580372607 1019210748 /nfs/dbraw/zinc/21/07/48/1019210748.db2.gz WHSACLYACHOXAL-HOTGVXAUSA-N 1 2 341.398 3.686 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000729251913 1019249270 /nfs/dbraw/zinc/24/92/70/1019249270.db2.gz ZPGNAIVEZZHFOP-QXPKXGMISA-N 1 2 338.426 3.744 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc2ccccc2n1 ZINC000729339879 1019300554 /nfs/dbraw/zinc/30/05/54/1019300554.db2.gz DPORYKSXJFSMMG-GDWUOILNSA-N 1 2 348.450 3.676 20 0 EHADLO CC(C)(C)n1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1C1CC1 ZINC000052927310 1019319549 /nfs/dbraw/zinc/31/95/49/1019319549.db2.gz YATIOKKZKGQBBY-UHFFFAOYSA-N 1 2 349.438 3.954 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2ccncc2)no1 ZINC000580412477 1019322911 /nfs/dbraw/zinc/32/29/11/1019322911.db2.gz YBIUGRIPMUMPRW-GOSISDBHSA-N 1 2 349.438 3.502 20 0 EHADLO Cc1cc(F)ccc1C1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000580426998 1019355149 /nfs/dbraw/zinc/35/51/49/1019355149.db2.gz XHLQKYCQGRRKNZ-UHFFFAOYSA-N 1 2 328.435 3.520 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)C1CCC1 ZINC001203396939 1019367499 /nfs/dbraw/zinc/36/74/99/1019367499.db2.gz NVAJWDUJYCMJRH-OAHLLOKOSA-N 1 2 341.282 3.874 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)C1CCC1 ZINC001203396939 1019367511 /nfs/dbraw/zinc/36/75/11/1019367511.db2.gz NVAJWDUJYCMJRH-OAHLLOKOSA-N 1 2 341.282 3.874 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(NCc3nnc(C4CC4)s3)c2c1 ZINC000894216991 1019381003 /nfs/dbraw/zinc/38/10/03/1019381003.db2.gz MORHUFHUFCPIOK-UHFFFAOYSA-N 1 2 346.843 3.660 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449573068 1032827915 /nfs/dbraw/zinc/82/79/15/1032827915.db2.gz PJBXJHBFRHDYSA-MAUKXSAKSA-N 1 2 335.455 3.988 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc3ccccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000255544255 1019423904 /nfs/dbraw/zinc/42/39/04/1019423904.db2.gz YFJLCGXPAGDXBW-YEPKGFQBSA-N 1 2 346.434 3.554 20 0 EHADLO Cc1ccc([C@@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000433606296 1019435523 /nfs/dbraw/zinc/43/55/23/1019435523.db2.gz YJIPQXFFNJBQKR-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1ccc([C@@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000433606296 1019435537 /nfs/dbraw/zinc/43/55/37/1019435537.db2.gz YJIPQXFFNJBQKR-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO CSCC1(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000597987981 1032833042 /nfs/dbraw/zinc/83/30/42/1032833042.db2.gz OOLWMQXPTVDOIO-INIZCTEOSA-N 1 2 343.496 3.581 20 0 EHADLO O=C(Nc1ccc2cc[nH]c2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000433643645 1019483548 /nfs/dbraw/zinc/48/35/48/1019483548.db2.gz VRJVJQGSYVWYMB-UHFFFAOYSA-N 1 2 340.452 3.579 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000047931575 1019496337 /nfs/dbraw/zinc/49/63/37/1019496337.db2.gz WBBDSZJBIMLDLV-GFCCVEGCSA-N 1 2 329.787 3.615 20 0 EHADLO FC(F)(F)[C@H]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433755547 1019570391 /nfs/dbraw/zinc/57/03/91/1019570391.db2.gz HOWGLEIAAPMYKM-OLZOCXBDSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@H]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433755547 1019570403 /nfs/dbraw/zinc/57/04/03/1019570403.db2.gz HOWGLEIAAPMYKM-OLZOCXBDSA-N 1 2 328.382 3.857 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000291751277 1019584450 /nfs/dbraw/zinc/58/44/50/1019584450.db2.gz CZIXXYCUYFWFFK-SFHVURJKSA-N 1 2 326.444 3.541 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000433782147 1019604040 /nfs/dbraw/zinc/60/40/40/1019604040.db2.gz ZHIKMKRTDHMUDW-SFHVURJKSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000433782147 1019604049 /nfs/dbraw/zinc/60/40/49/1019604049.db2.gz ZHIKMKRTDHMUDW-SFHVURJKSA-N 1 2 340.471 3.563 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(C(F)(F)F)c2F)c[nH+]1 ZINC000397051748 1032847391 /nfs/dbraw/zinc/84/73/91/1032847391.db2.gz YOSYYKOFGSXVLZ-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000513433810 1019659809 /nfs/dbraw/zinc/65/98/09/1019659809.db2.gz ZFIKQRWFAGDGAO-FIXISWKDSA-N 1 2 329.362 3.739 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@]12C[C@H]1CCCC2 ZINC001207120435 1019713599 /nfs/dbraw/zinc/71/35/99/1019713599.db2.gz VCXRLMHPHRFPTQ-RWSFTLGLSA-N 1 2 325.250 3.608 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1F ZINC001203399254 1019771159 /nfs/dbraw/zinc/77/11/59/1019771159.db2.gz QPHBPCSZUXYNTA-CHWSQXEVSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1F ZINC001203399254 1019771173 /nfs/dbraw/zinc/77/11/73/1019771173.db2.gz QPHBPCSZUXYNTA-CHWSQXEVSA-N 1 2 343.723 3.706 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430016027 1019779902 /nfs/dbraw/zinc/77/99/02/1019779902.db2.gz CYWMLKYTKZYHOP-UHFFFAOYSA-N 1 2 336.288 3.787 20 0 EHADLO C[C@H](CC(=O)NCC1(c2ccc(F)cc2F)CCCC1)n1cc[nH+]c1 ZINC000580650399 1019789461 /nfs/dbraw/zinc/78/94/61/1019789461.db2.gz XKRSQBIJNPOWRU-CQSZACIVSA-N 1 2 347.409 3.741 20 0 EHADLO CCc1nc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cs1 ZINC000684021525 1019831830 /nfs/dbraw/zinc/83/18/30/1019831830.db2.gz YNOWMLSGZNGFKM-UHFFFAOYSA-N 1 2 340.496 3.505 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000513606495 1019852206 /nfs/dbraw/zinc/85/22/06/1019852206.db2.gz OWOAPRAPEKYXFA-SJORKVTESA-N 1 2 327.472 3.638 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc1 ZINC000684026211 1019855201 /nfs/dbraw/zinc/85/52/01/1019855201.db2.gz XXZTZKPHGOALKB-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606836637 1032858321 /nfs/dbraw/zinc/85/83/21/1032858321.db2.gz LLJDSEMWPSNINU-OAQYLSRUSA-N 1 2 336.479 3.633 20 0 EHADLO CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000434007681 1019869448 /nfs/dbraw/zinc/86/94/48/1019869448.db2.gz WOCFFCLNCAHTRQ-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000580700852 1019871720 /nfs/dbraw/zinc/87/17/20/1019871720.db2.gz DSWKKLSJTXZYRC-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000580700852 1019871732 /nfs/dbraw/zinc/87/17/32/1019871732.db2.gz DSWKKLSJTXZYRC-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000580717748 1019904864 /nfs/dbraw/zinc/90/48/64/1019904864.db2.gz ICKJEZDAQXCWES-LPHOPBHVSA-N 1 2 341.455 3.987 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000050449319 1019929340 /nfs/dbraw/zinc/92/93/40/1019929340.db2.gz HIGQPGPOYRHZAK-RMKNXTFCSA-N 1 2 330.815 3.690 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2sc(C(C)(C)C)nc2C)c1C ZINC000050447781 1019931583 /nfs/dbraw/zinc/93/15/83/1019931583.db2.gz AMWRHDGFFQLPJX-UHFFFAOYSA-N 1 2 347.484 3.699 20 0 EHADLO CCSCc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000050447682 1019931754 /nfs/dbraw/zinc/93/17/54/1019931754.db2.gz IJLVLTGHHDSEOY-UHFFFAOYSA-N 1 2 344.480 3.890 20 0 EHADLO CCCc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)sc1C ZINC000500983768 1019937911 /nfs/dbraw/zinc/93/79/11/1019937911.db2.gz RWFLTEBNUBOVBI-UHFFFAOYSA-N 1 2 348.537 3.859 20 0 EHADLO CCCc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)sc1C ZINC000500983768 1019937920 /nfs/dbraw/zinc/93/79/20/1019937920.db2.gz RWFLTEBNUBOVBI-UHFFFAOYSA-N 1 2 348.537 3.859 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCc1ccccc1 ZINC000340751627 1019950526 /nfs/dbraw/zinc/95/05/26/1019950526.db2.gz LQRVBSVDHSNYBW-IBGZPJMESA-N 1 2 333.435 3.681 20 0 EHADLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986941 1019956904 /nfs/dbraw/zinc/95/69/04/1019956904.db2.gz INMFACDVPQGMJM-SJORKVTESA-N 1 2 345.418 3.783 20 0 EHADLO CC(C)c1nnc([C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986941 1019956912 /nfs/dbraw/zinc/95/69/12/1019956912.db2.gz INMFACDVPQGMJM-SJORKVTESA-N 1 2 345.418 3.783 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)CCc2cccc(Cl)c2Cl)n1 ZINC000280007911 1019965376 /nfs/dbraw/zinc/96/53/76/1019965376.db2.gz LOTDRJQGKMXAMT-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCc2cccc(Cl)c2Cl)n1 ZINC000280007911 1019965387 /nfs/dbraw/zinc/96/53/87/1019965387.db2.gz LOTDRJQGKMXAMT-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000280011616 1019968850 /nfs/dbraw/zinc/96/88/50/1019968850.db2.gz WFQHRXOKDVDNBF-JLCFBVMHSA-N 1 2 336.526 3.650 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)o2)cc1C ZINC000345220787 1020047087 /nfs/dbraw/zinc/04/70/87/1020047087.db2.gz ARNOZIGBZDLAON-RYUDHWBXSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CCS[C@@H](C)[C@@H]3C)o2)cc1C ZINC000345220787 1020047098 /nfs/dbraw/zinc/04/70/98/1020047098.db2.gz ARNOZIGBZDLAON-RYUDHWBXSA-N 1 2 337.514 3.995 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055688 1020048306 /nfs/dbraw/zinc/04/83/06/1020048306.db2.gz QMMHPUXDCFSZCV-KBXCAEBGSA-N 1 2 342.439 3.619 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055688 1020048320 /nfs/dbraw/zinc/04/83/20/1020048320.db2.gz QMMHPUXDCFSZCV-KBXCAEBGSA-N 1 2 342.439 3.619 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(COC2CCCC2)cc1 ZINC000606825667 1032871146 /nfs/dbraw/zinc/87/11/46/1032871146.db2.gz TWJODJPSUVBFPU-UHFFFAOYSA-N 1 2 327.428 3.761 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528826804 1032871377 /nfs/dbraw/zinc/87/13/77/1032871377.db2.gz YTLZWCVVZLCHDA-NWDGAFQWSA-N 1 2 335.810 3.860 20 0 EHADLO Cc1cn2cc(NC(=O)CCN3c4ccccc4CC[C@@H]3C)ccc2[nH+]1 ZINC000345258242 1020086645 /nfs/dbraw/zinc/08/66/45/1020086645.db2.gz YZLVMBGFYWOGNW-INIZCTEOSA-N 1 2 348.450 3.813 20 0 EHADLO CCc1ncc(C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)o1 ZINC000449610926 1032877191 /nfs/dbraw/zinc/87/71/91/1032877191.db2.gz SNFZIXVJNUVNFU-UHFFFAOYSA-N 1 2 340.379 3.573 20 0 EHADLO Cc1cc(=O)[nH]cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000580872352 1020163194 /nfs/dbraw/zinc/16/31/94/1020163194.db2.gz SINSDXYWQJGFOV-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000528832226 1032883532 /nfs/dbraw/zinc/88/35/32/1032883532.db2.gz UVJDQHXIGNEJDA-ILXRZTDVSA-N 1 2 341.430 3.628 20 0 EHADLO CN(Cc1ccccc1NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000345439628 1020253355 /nfs/dbraw/zinc/25/33/55/1020253355.db2.gz BPADAGAYTXCYFT-UHFFFAOYSA-N 1 2 334.423 3.548 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccc(Cl)s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345452175 1020266797 /nfs/dbraw/zinc/26/67/97/1020266797.db2.gz GTSGNNZQCYFYSN-HZSPNIEDSA-N 1 2 348.855 3.580 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000255913204 1020291974 /nfs/dbraw/zinc/29/19/74/1020291974.db2.gz BVUIUQALABTWPK-MOBDVTQCSA-N 1 2 335.860 3.721 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000345483335 1020294452 /nfs/dbraw/zinc/29/44/52/1020294452.db2.gz VILIUBNYTWDKQF-OALUTQOASA-N 1 2 339.439 3.786 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000580962362 1020306237 /nfs/dbraw/zinc/30/62/37/1020306237.db2.gz OMMKTEQXOPKHLI-GUYCJALGSA-N 1 2 331.847 3.996 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000580962362 1020306245 /nfs/dbraw/zinc/30/62/45/1020306245.db2.gz OMMKTEQXOPKHLI-GUYCJALGSA-N 1 2 331.847 3.996 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345494841 1020317673 /nfs/dbraw/zinc/31/76/73/1020317673.db2.gz WTEZOKQMMVEZKJ-OAHLLOKOSA-N 1 2 349.544 3.847 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)sc1C ZINC000280339868 1020321093 /nfs/dbraw/zinc/32/10/93/1020321093.db2.gz HRVKAURFJMYSRD-HNNXBMFYSA-N 1 2 330.453 3.884 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2)sc1C ZINC000280339868 1020321103 /nfs/dbraw/zinc/32/11/03/1020321103.db2.gz HRVKAURFJMYSRD-HNNXBMFYSA-N 1 2 330.453 3.884 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000093304125 1032894271 /nfs/dbraw/zinc/89/42/71/1032894271.db2.gz JJUFEQZEMDFPEW-OAHLLOKOSA-N 1 2 329.444 3.500 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000093304125 1032894285 /nfs/dbraw/zinc/89/42/85/1032894285.db2.gz JJUFEQZEMDFPEW-OAHLLOKOSA-N 1 2 329.444 3.500 20 0 EHADLO Cc1cc(OCC(=O)NCCCNc2cccc[nH+]2)ccc1C(C)C ZINC000345620269 1020390774 /nfs/dbraw/zinc/39/07/74/1020390774.db2.gz DTRBSGMIPSJXFA-UHFFFAOYSA-N 1 2 341.455 3.511 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000528825639 1032899061 /nfs/dbraw/zinc/89/90/61/1032899061.db2.gz ILRQCTVYAPSGSO-ZWQIFLOQSA-N 1 2 341.430 3.626 20 0 EHADLO Cc1cccn2cc(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000610477052 1020420082 /nfs/dbraw/zinc/42/00/82/1020420082.db2.gz GNPZUBWWHXGDMY-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccn2cc(C[N@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000610477052 1020420090 /nfs/dbraw/zinc/42/00/90/1020420090.db2.gz GNPZUBWWHXGDMY-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCc2cccs2)c1 ZINC000345651227 1020425599 /nfs/dbraw/zinc/42/55/99/1020425599.db2.gz BWQYHLPNRRLLRI-UHFFFAOYSA-N 1 2 325.437 3.557 20 0 EHADLO C[C@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528824089 1032900388 /nfs/dbraw/zinc/90/03/88/1032900388.db2.gz DRHIMTJPEXJSAW-UONOGXRCSA-N 1 2 325.403 3.508 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)CC2CCCCC2)nc1-c1cccnc1 ZINC000177916871 1020443438 /nfs/dbraw/zinc/44/34/38/1020443438.db2.gz WZLAGTGQBGCWCX-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)CC2CCCCC2)nc1-c1cccnc1 ZINC000177916871 1020443448 /nfs/dbraw/zinc/44/34/48/1020443448.db2.gz WZLAGTGQBGCWCX-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1sccc1-c1ccc(F)cc1 ZINC000066043980 1020522637 /nfs/dbraw/zinc/52/26/37/1020522637.db2.gz WNHGVAKSGYHVMX-UHFFFAOYSA-N 1 2 341.411 3.791 20 0 EHADLO C[C@H]1C[C@@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890581 1020524165 /nfs/dbraw/zinc/52/41/65/1020524165.db2.gz JCFFJPGHMIRACD-KBPBESRZSA-N 1 2 349.837 3.751 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccsc1 ZINC000156896207 1020527784 /nfs/dbraw/zinc/52/77/84/1020527784.db2.gz DVJMJDVMEYQKPZ-GFCCVEGCSA-N 1 2 335.498 3.933 20 0 EHADLO C=COc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001299156321 1020534391 /nfs/dbraw/zinc/53/43/91/1020534391.db2.gz FNANSRQUVQONIC-ZDUSSCGKSA-N 1 2 325.290 3.538 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(F)ccc1F ZINC000156070551 1020563739 /nfs/dbraw/zinc/56/37/39/1020563739.db2.gz RBTSZQFOAVHWAX-QGZVFWFLSA-N 1 2 348.397 3.659 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000066965934 1020589983 /nfs/dbraw/zinc/58/99/83/1020589983.db2.gz VOZXTXDAIAFRRP-UHFFFAOYSA-N 1 2 349.356 3.631 20 0 EHADLO O=C(/C=C/Sc1cc(F)ccc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280741455 1020624498 /nfs/dbraw/zinc/62/44/98/1020624498.db2.gz LHQWCQAIIHDSAO-BJMVGYQFSA-N 1 2 349.406 3.700 20 0 EHADLO c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc(C2CC2)c1 ZINC000581320656 1020683930 /nfs/dbraw/zinc/68/39/30/1020683930.db2.gz KMVHOGPTXWJQMA-IAGOWNOFSA-N 1 2 325.412 3.540 20 0 EHADLO c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc(C2CC2)c1 ZINC000581320656 1020683933 /nfs/dbraw/zinc/68/39/33/1020683933.db2.gz KMVHOGPTXWJQMA-IAGOWNOFSA-N 1 2 325.412 3.540 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000602500245 1032924757 /nfs/dbraw/zinc/92/47/57/1032924757.db2.gz XIWYVOFLZFXYBN-MRVPVSSYSA-N 1 2 329.183 3.619 20 0 EHADLO CC/C(=C\C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000172767534 1032930034 /nfs/dbraw/zinc/93/00/34/1032930034.db2.gz RTILJEKYTIGIOX-FBMGVBCBSA-N 1 2 349.478 3.969 20 0 EHADLO CCC(CC)(NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000292434743 1020747588 /nfs/dbraw/zinc/74/75/88/1020747588.db2.gz VGASZQIVHZZQBX-UHFFFAOYSA-N 1 2 334.851 3.588 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)C(F)F)n2)C1 ZINC000684222899 1020806898 /nfs/dbraw/zinc/80/68/98/1020806898.db2.gz KYLAKKPJULOZBQ-SNVBAGLBSA-N 1 2 346.447 3.540 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)C(F)F)n2)C1 ZINC000684222899 1020806906 /nfs/dbraw/zinc/80/69/06/1020806906.db2.gz KYLAKKPJULOZBQ-SNVBAGLBSA-N 1 2 346.447 3.540 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(Cl)nc3ccccc13)C2 ZINC000933256509 1020829829 /nfs/dbraw/zinc/82/98/29/1020829829.db2.gz FJONHHIQIBTSME-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(Cl)nc3ccccc13)C2 ZINC000933256509 1020829834 /nfs/dbraw/zinc/82/98/34/1020829834.db2.gz FJONHHIQIBTSME-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000656527546 1020838980 /nfs/dbraw/zinc/83/89/80/1020838980.db2.gz SKJSLBBSGAOGIR-CYBMUJFWSA-N 1 2 336.464 3.940 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1coc(-c3cccc(Cl)c3)n1)C2 ZINC000933264577 1020839247 /nfs/dbraw/zinc/83/92/47/1020839247.db2.gz ZFCPLRPZWVZMJO-UHFFFAOYSA-N 1 2 342.830 3.770 20 0 EHADLO C[NH+](C)c1ccc(N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000382374463 1020871421 /nfs/dbraw/zinc/87/14/21/1020871421.db2.gz QOVBESBXAILROK-WMLDXEAASA-N 1 2 333.476 3.858 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000341040318 1020896472 /nfs/dbraw/zinc/89/64/72/1020896472.db2.gz STLLEBSNYPDVFV-LZLYRXPVSA-N 1 2 338.455 3.640 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC001203411154 1032942204 /nfs/dbraw/zinc/94/22/04/1032942204.db2.gz QHNCGYNPVXLJBE-NHYWBVRUSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC001203411154 1032942214 /nfs/dbraw/zinc/94/22/14/1032942214.db2.gz QHNCGYNPVXLJBE-NHYWBVRUSA-N 1 2 340.826 3.530 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000581485744 1021007809 /nfs/dbraw/zinc/00/78/09/1021007809.db2.gz KJRPOWUUZKGPPC-UHFFFAOYSA-N 1 2 332.451 3.992 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000581485744 1021007816 /nfs/dbraw/zinc/00/78/16/1021007816.db2.gz KJRPOWUUZKGPPC-UHFFFAOYSA-N 1 2 332.451 3.992 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000341159598 1021027655 /nfs/dbraw/zinc/02/76/55/1021027655.db2.gz FFTQABQQXAQZJN-CQSZACIVSA-N 1 2 334.441 3.834 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581520357 1021043618 /nfs/dbraw/zinc/04/36/18/1021043618.db2.gz SJLHTSZQOKJTHC-SFHVURJKSA-N 1 2 347.462 3.968 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000341176301 1021048086 /nfs/dbraw/zinc/04/80/86/1021048086.db2.gz IWLCVGZUZDXGHP-KZNAEPCWSA-N 1 2 338.455 3.640 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341177831 1021048494 /nfs/dbraw/zinc/04/84/94/1021048494.db2.gz AGMYDKSGYATPCR-RTWAWAEBSA-N 1 2 345.446 3.741 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000073425336 1021060268 /nfs/dbraw/zinc/06/02/68/1021060268.db2.gz KHKZQDRVTUPTLP-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO CN(CC1(C)COC1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000624528904 1021070156 /nfs/dbraw/zinc/07/01/56/1021070156.db2.gz USMXIJKSQPGUTE-UHFFFAOYSA-N 1 2 339.208 3.609 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000581574720 1021105169 /nfs/dbraw/zinc/10/51/69/1021105169.db2.gz KKNNTZNWNNITDN-DZXKJOIRSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000581574720 1021105170 /nfs/dbraw/zinc/10/51/70/1021105170.db2.gz KKNNTZNWNNITDN-DZXKJOIRSA-N 1 2 341.373 3.600 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000341219878 1021119936 /nfs/dbraw/zinc/11/99/36/1021119936.db2.gz LJFXAASEIYILTF-NXEZZACHSA-N 1 2 329.322 3.942 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCCCS2)c(C)c1 ZINC000341231834 1021138571 /nfs/dbraw/zinc/13/85/71/1021138571.db2.gz WIWLXLSEIUKILA-ZWKOTPCHSA-N 1 2 343.496 3.643 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581610749 1021149691 /nfs/dbraw/zinc/14/96/91/1021149691.db2.gz BLEAYPHAMJNFDE-OLZOCXBDSA-N 1 2 339.361 3.600 20 0 EHADLO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccs1 ZINC000341244041 1021168042 /nfs/dbraw/zinc/16/80/42/1021168042.db2.gz TVKIAPXIJAZEGR-OAHLLOKOSA-N 1 2 331.485 3.767 20 0 EHADLO CCc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)oc1CC ZINC000341244351 1021169309 /nfs/dbraw/zinc/16/93/09/1021169309.db2.gz UXDMWHMYBDWNCY-UHFFFAOYSA-N 1 2 343.471 3.934 20 0 EHADLO COc1cc(C)sc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244910 1021171347 /nfs/dbraw/zinc/17/13/47/1021171347.db2.gz XRPQXCNDARKEHN-UHFFFAOYSA-N 1 2 347.484 3.594 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341245029 1021171647 /nfs/dbraw/zinc/17/16/47/1021171647.db2.gz ZGPRWISOPJBZNN-UHFFFAOYSA-N 1 2 344.459 3.636 20 0 EHADLO FC1CC2(C1)C[NH+](Cc1ccnc3c(Br)cccc13)C2 ZINC000656693457 1021179840 /nfs/dbraw/zinc/17/98/40/1021179840.db2.gz BKPQQGBPYFPJFW-UHFFFAOYSA-N 1 2 335.220 3.931 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000276398332 1021181138 /nfs/dbraw/zinc/18/11/38/1021181138.db2.gz OBRHPRRKOYSMFG-SECBINFHSA-N 1 2 331.363 3.806 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncccc2Br)c1C ZINC000439160425 1021183235 /nfs/dbraw/zinc/18/32/35/1021183235.db2.gz ZGQAIDVZPLIBKX-UHFFFAOYSA-N 1 2 336.233 3.501 20 0 EHADLO CC(C)[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507397265 1021231058 /nfs/dbraw/zinc/23/10/58/1021231058.db2.gz AIZDUPGGVGCQQM-HNNXBMFYSA-N 1 2 333.863 3.857 20 0 EHADLO COc1cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(Br)cn1 ZINC000625652522 1021237823 /nfs/dbraw/zinc/23/78/23/1021237823.db2.gz ALTCCEYCZXCMJK-NXEZZACHSA-N 1 2 349.219 3.576 20 0 EHADLO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000516268269 1021251315 /nfs/dbraw/zinc/25/13/15/1021251315.db2.gz MCFOYGHRPYSCDE-INIZCTEOSA-N 1 2 343.471 3.545 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C2CC2)cn1 ZINC000528852306 1032965027 /nfs/dbraw/zinc/96/50/27/1032965027.db2.gz ZZMGJFDORYJNND-IAQYHMDHSA-N 1 2 330.432 3.573 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439286972 1021303736 /nfs/dbraw/zinc/30/37/36/1021303736.db2.gz OXEMVTKPIJKTPJ-VBNZEHGJSA-N 1 2 342.277 3.636 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439286972 1021303755 /nfs/dbraw/zinc/30/37/55/1021303755.db2.gz OXEMVTKPIJKTPJ-VBNZEHGJSA-N 1 2 342.277 3.636 20 0 EHADLO C[C@H]1CC[N@H+](Cc2c(F)cc(Br)cc2F)CC[C@@]1(C)O ZINC001141554707 1021319633 /nfs/dbraw/zinc/31/96/33/1021319633.db2.gz HJFSOELOSHGWLN-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2c(F)cc(Br)cc2F)CC[C@@]1(C)O ZINC001141554707 1021319653 /nfs/dbraw/zinc/31/96/53/1021319653.db2.gz HJFSOELOSHGWLN-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO CCc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(O)c1 ZINC000436857437 1021320848 /nfs/dbraw/zinc/32/08/48/1021320848.db2.gz CQQUEGFNNXRIRD-UHFFFAOYSA-N 1 2 332.363 3.857 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc2c1OCO2 ZINC000449636875 1032972310 /nfs/dbraw/zinc/97/23/10/1032972310.db2.gz XOARINXBDSKAMN-SFHVURJKSA-N 1 2 327.380 3.744 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc2c1OCO2 ZINC000449636875 1032972315 /nfs/dbraw/zinc/97/23/15/1032972315.db2.gz XOARINXBDSKAMN-SFHVURJKSA-N 1 2 327.380 3.744 20 0 EHADLO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1Cl ZINC000436911465 1021359179 /nfs/dbraw/zinc/35/91/79/1021359179.db2.gz QSFHDACEKSBNCV-UHFFFAOYSA-N 1 2 340.757 3.638 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc(OC)c1O ZINC000449637495 1032975374 /nfs/dbraw/zinc/97/53/74/1032975374.db2.gz GTPDOCKCBZRWKE-GOSISDBHSA-N 1 2 329.396 3.730 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc(OC)c1O ZINC000449637495 1032975388 /nfs/dbraw/zinc/97/53/88/1032975388.db2.gz GTPDOCKCBZRWKE-GOSISDBHSA-N 1 2 329.396 3.730 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@@H]2CSc3ccccc32)no1)c1ccccc1 ZINC000296601242 1021396984 /nfs/dbraw/zinc/39/69/84/1021396984.db2.gz XRGMCVQVRTWDFM-WBVHZDCISA-N 1 2 337.448 3.958 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000366657486 1021401680 /nfs/dbraw/zinc/40/16/80/1021401680.db2.gz UWFFRNDUUWPNQB-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO FC(F)(F)c1nn(CCN2CCc3ccccc32)c2cc[nH+]cc21 ZINC000427526133 1021460515 /nfs/dbraw/zinc/46/05/15/1021460515.db2.gz VTPXAEYIFOHTEO-UHFFFAOYSA-N 1 2 332.329 3.513 20 0 EHADLO c1cc2ccc(-c3nc(-c4cccc(Cn5cc[nH+]c5)c4)no3)nc2[nH]1 ZINC000345996596 1021488534 /nfs/dbraw/zinc/48/85/34/1021488534.db2.gz UWTPTWHAXYLKOM-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1F ZINC000579009620 1021490027 /nfs/dbraw/zinc/49/00/27/1021490027.db2.gz CJXKJLMFSLGGOC-SJKOYZFVSA-N 1 2 349.837 3.752 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCc4c(C)cccc4C3)n2)cc1 ZINC000729478063 1021523567 /nfs/dbraw/zinc/52/35/67/1021523567.db2.gz QZOWVYJANWTBDF-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCc4c(C)cccc4C3)n2)cc1 ZINC000729478063 1021523577 /nfs/dbraw/zinc/52/35/77/1021523577.db2.gz QZOWVYJANWTBDF-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1C ZINC000139510660 1032986712 /nfs/dbraw/zinc/98/67/12/1032986712.db2.gz QNSAOIAXSKLVBP-ZDUSSCGKSA-N 1 2 348.468 3.745 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1C ZINC000139510660 1032986724 /nfs/dbraw/zinc/98/67/24/1032986724.db2.gz QNSAOIAXSKLVBP-ZDUSSCGKSA-N 1 2 348.468 3.745 20 0 EHADLO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1[nH+]cnc2c1cnn2C ZINC000509608474 1021552107 /nfs/dbraw/zinc/55/21/07/1021552107.db2.gz LTFNIQCSQWCSLG-VIFPVBQESA-N 1 2 348.237 3.794 20 0 EHADLO CC(C)[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccccn1 ZINC000581702111 1021556088 /nfs/dbraw/zinc/55/60/88/1021556088.db2.gz CCCKOVOBYGQBKO-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccccn1 ZINC000581702111 1021556098 /nfs/dbraw/zinc/55/60/98/1021556098.db2.gz CCCKOVOBYGQBKO-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CCN(CC1CCC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684393062 1021558895 /nfs/dbraw/zinc/55/88/95/1021558895.db2.gz LLWQXHABFSEZDE-GOSISDBHSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccc(OC(C)(C)C)cn4)no3)ccn12 ZINC000518796088 1021576345 /nfs/dbraw/zinc/57/63/45/1021576345.db2.gz QDTVPKWXISPKNO-UHFFFAOYSA-N 1 2 349.394 3.932 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(-c3cccs3)n2C)c1C ZINC000078709223 1021595808 /nfs/dbraw/zinc/59/58/08/1021595808.db2.gz VKTCJAVSBWANLK-UHFFFAOYSA-N 1 2 346.481 3.856 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ncccc1Oc1ccccc1 ZINC000440646570 1021688663 /nfs/dbraw/zinc/68/86/63/1021688663.db2.gz NCCXALUSWMIHHR-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCc1cc(N2CC[NH+]([C@@H](CC)c3ccc(F)cc3F)CC2)ncn1 ZINC000608091047 1021713860 /nfs/dbraw/zinc/71/38/60/1021713860.db2.gz HAYFPTDEPIOUNZ-SFHVURJKSA-N 1 2 346.425 3.591 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341406755 1021747052 /nfs/dbraw/zinc/74/70/52/1021747052.db2.gz LAAOCSSPOGYUQJ-UHFFFAOYSA-N 1 2 343.393 3.875 20 0 EHADLO CCCCn1nnnc1C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519000730 1021750365 /nfs/dbraw/zinc/75/03/65/1021750365.db2.gz RDGDXCDJLPXWNL-HXUWFJFHSA-N 1 2 347.466 3.621 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519000730 1021750378 /nfs/dbraw/zinc/75/03/78/1021750378.db2.gz RDGDXCDJLPXWNL-HXUWFJFHSA-N 1 2 347.466 3.621 20 0 EHADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000581779548 1021775240 /nfs/dbraw/zinc/77/52/40/1021775240.db2.gz PICQHLITIUCUAH-GFCCVEGCSA-N 1 2 339.361 3.591 20 0 EHADLO Cc1cc(N2C[C@H]3CCC[C@]3(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000341416029 1021798256 /nfs/dbraw/zinc/79/82/56/1021798256.db2.gz ZFJNFJBHAJMQSU-QRWLVFNGSA-N 1 2 343.471 3.611 20 0 EHADLO CN(C(=O)NCCCCn1cc[nH+]c1)C1CCC(C(C)(C)C)CC1 ZINC000519044856 1021800365 /nfs/dbraw/zinc/80/03/65/1021800365.db2.gz HZWQOBDGWIBAQS-UHFFFAOYSA-N 1 2 334.508 3.910 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000891527435 1021843854 /nfs/dbraw/zinc/84/38/54/1021843854.db2.gz IGEHRLAVNFIEBP-UHFFFAOYSA-N 1 2 337.471 3.899 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000891527435 1021843869 /nfs/dbraw/zinc/84/38/69/1021843869.db2.gz IGEHRLAVNFIEBP-UHFFFAOYSA-N 1 2 337.471 3.899 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000440902529 1021856805 /nfs/dbraw/zinc/85/68/05/1021856805.db2.gz IYAUTNMEHKTSHL-CQSZACIVSA-N 1 2 328.412 3.842 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000440902529 1021856822 /nfs/dbraw/zinc/85/68/22/1021856822.db2.gz IYAUTNMEHKTSHL-CQSZACIVSA-N 1 2 328.412 3.842 20 0 EHADLO Clc1c(Br)cccc1C[NH2+]Cc1nccn1C1CC1 ZINC000894893519 1021859923 /nfs/dbraw/zinc/85/99/23/1021859923.db2.gz HBKRQGGEFYVHGK-UHFFFAOYSA-N 1 2 340.652 3.924 20 0 EHADLO CCN(C(=O)[C@H]1CC12C[NH+](Cc1ccc(F)cc1Cl)C2)C(C)C ZINC001280302740 1021889127 /nfs/dbraw/zinc/88/91/27/1021889127.db2.gz DWJJXHLXRSMBKG-OAHLLOKOSA-N 1 2 338.854 3.558 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504747 1021895848 /nfs/dbraw/zinc/89/58/48/1021895848.db2.gz VVGWCQWESSBEKM-KUHUBIRLSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504747 1021895865 /nfs/dbraw/zinc/89/58/65/1021895865.db2.gz VVGWCQWESSBEKM-KUHUBIRLSA-N 1 2 349.475 3.506 20 0 EHADLO Cc1cc(C)n(CC[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)n1 ZINC000440953020 1021899805 /nfs/dbraw/zinc/89/98/05/1021899805.db2.gz PFXAKYPKXRLITN-UHFFFAOYSA-N 1 2 349.482 3.609 20 0 EHADLO CO[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188221553 1021937303 /nfs/dbraw/zinc/93/73/03/1021937303.db2.gz OVMYSKGSEFMESX-ROUUACIJSA-N 1 2 343.377 3.755 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C2 ZINC000441073454 1021968644 /nfs/dbraw/zinc/96/86/44/1021968644.db2.gz VHOVWGIYFVEARR-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cccc1C)C2 ZINC000441073454 1021968650 /nfs/dbraw/zinc/96/86/50/1021968650.db2.gz VHOVWGIYFVEARR-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CC(C)CNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520169917 1021983618 /nfs/dbraw/zinc/98/36/18/1021983618.db2.gz PYNOWRTYHLTFCX-UHFFFAOYSA-N 1 2 328.431 3.600 20 0 EHADLO CC(C)CNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520169917 1021983627 /nfs/dbraw/zinc/98/36/27/1021983627.db2.gz PYNOWRTYHLTFCX-UHFFFAOYSA-N 1 2 328.431 3.600 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000891588124 1021993894 /nfs/dbraw/zinc/99/38/94/1021993894.db2.gz PZAMQDPCXSQACX-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000891588124 1021993902 /nfs/dbraw/zinc/99/39/02/1021993902.db2.gz PZAMQDPCXSQACX-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(Br)c1 ZINC000520183174 1022012160 /nfs/dbraw/zinc/01/21/60/1022012160.db2.gz JPBKIIHXGBATML-UHFFFAOYSA-N 1 2 328.250 3.613 20 0 EHADLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(Br)c1 ZINC000520183174 1022012175 /nfs/dbraw/zinc/01/21/75/1022012175.db2.gz JPBKIIHXGBATML-UHFFFAOYSA-N 1 2 328.250 3.613 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000520234713 1022046389 /nfs/dbraw/zinc/04/63/89/1022046389.db2.gz BLJYJFJREGXCLX-LLVKDONJSA-N 1 2 341.333 3.890 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000520226844 1022055004 /nfs/dbraw/zinc/05/50/04/1022055004.db2.gz UTRUVMYULRNBCQ-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000520226844 1022055018 /nfs/dbraw/zinc/05/50/18/1022055018.db2.gz UTRUVMYULRNBCQ-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO CC[C@H](C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1)OC ZINC000290656421 1022067659 /nfs/dbraw/zinc/06/76/59/1022067659.db2.gz PMBAOJHDLXIAIU-MSOLQXFVSA-N 1 2 337.423 3.841 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1F ZINC000341526170 1022070366 /nfs/dbraw/zinc/07/03/66/1022070366.db2.gz PJTWCHVFCMXPOP-QGZVFWFLSA-N 1 2 345.805 3.692 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000519423810 1022082117 /nfs/dbraw/zinc/08/21/17/1022082117.db2.gz PLPSVGJNKKSPLM-LJQANCHMSA-N 1 2 333.435 3.835 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cccc3F)[nH]1)CC2 ZINC000437767196 1022112646 /nfs/dbraw/zinc/11/26/46/1022112646.db2.gz ZHWVTCWLZFHBBP-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc3c(cccc3F)[nH]1)CC2 ZINC000437767196 1022112655 /nfs/dbraw/zinc/11/26/55/1022112655.db2.gz ZHWVTCWLZFHBBP-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3coc4cc(F)ccc34)[nH+]c12 ZINC000684452594 1022145127 /nfs/dbraw/zinc/14/51/27/1022145127.db2.gz LWGHVHKHLNADKW-UHFFFAOYSA-N 1 2 337.354 3.501 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)C[C@H](C)CC3)CCO2 ZINC000341539472 1022170004 /nfs/dbraw/zinc/17/00/04/1022170004.db2.gz BPOJVDCBAAMKHY-IUODEOHRSA-N 1 2 344.480 3.890 20 0 EHADLO Cn1ncc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1C1CC1 ZINC000891646686 1022202970 /nfs/dbraw/zinc/20/29/70/1022202970.db2.gz ZQZHMMHHSGSCMR-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1ncc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1C1CC1 ZINC000891646686 1022202975 /nfs/dbraw/zinc/20/29/75/1022202975.db2.gz ZQZHMMHHSGSCMR-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(Br)ccc2F)c(C)n1 ZINC001204573951 1022214192 /nfs/dbraw/zinc/21/41/92/1022214192.db2.gz QEBCHHIANOSLFP-UHFFFAOYSA-N 1 2 340.240 3.745 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)c(C)n1 ZINC001204573951 1022214200 /nfs/dbraw/zinc/21/42/00/1022214200.db2.gz QEBCHHIANOSLFP-UHFFFAOYSA-N 1 2 340.240 3.745 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Cl)cc1Cl ZINC000187710994 1022224022 /nfs/dbraw/zinc/22/40/22/1022224022.db2.gz CWECOWLTPDKRIA-CQSZACIVSA-N 1 2 327.211 3.926 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591414 1022224269 /nfs/dbraw/zinc/22/42/69/1022224269.db2.gz BQVMOSVVTOFHJB-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591414 1022224285 /nfs/dbraw/zinc/22/42/85/1022224285.db2.gz BQVMOSVVTOFHJB-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(C)c([C@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccccc2)c1 ZINC000187723695 1022226724 /nfs/dbraw/zinc/22/67/24/1022226724.db2.gz FURNAILBPQUGCF-HXUWFJFHSA-N 1 2 334.419 3.875 20 0 EHADLO CC[N@H+](Cc1nc(Br)c[nH]1)[C@@H](C)c1cccc(OC)c1 ZINC000891656514 1022236166 /nfs/dbraw/zinc/23/61/66/1022236166.db2.gz AKTXXJFADFKNHY-NSHDSACASA-N 1 2 338.249 3.764 20 0 EHADLO CC[N@@H+](Cc1nc(Br)c[nH]1)[C@@H](C)c1cccc(OC)c1 ZINC000891656514 1022236189 /nfs/dbraw/zinc/23/61/89/1022236189.db2.gz AKTXXJFADFKNHY-NSHDSACASA-N 1 2 338.249 3.764 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000628134614 1022269653 /nfs/dbraw/zinc/26/96/53/1022269653.db2.gz WQSFYCYHWBWKRO-UHFFFAOYSA-N 1 2 334.407 3.504 20 0 EHADLO Cc1ccc(-c2cccc(CNc3[nH+]cnc4c3cnn4C)c2)cc1 ZINC000506167861 1022282661 /nfs/dbraw/zinc/28/26/61/1022282661.db2.gz XSCYNOFEMMMPNA-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000437953110 1022290740 /nfs/dbraw/zinc/29/07/40/1022290740.db2.gz ZWSSJTWGVRRPLR-UHFFFAOYSA-N 1 2 343.723 3.951 20 0 EHADLO Cc1ccc(-c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)nn2)s1 ZINC001167991637 1022299419 /nfs/dbraw/zinc/29/94/19/1022299419.db2.gz KIELTIIDRQIKII-UHFFFAOYSA-N 1 2 327.388 3.684 20 0 EHADLO COc1c(F)cc(F)cc1C[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC001143568496 1022326208 /nfs/dbraw/zinc/32/62/08/1022326208.db2.gz ZPMQLZQLOVGEJE-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000506174660 1022366448 /nfs/dbraw/zinc/36/64/48/1022366448.db2.gz JDEBWAGLYFJCNE-GOSISDBHSA-N 1 2 343.434 3.802 20 0 EHADLO CC[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccs1 ZINC000302844728 1022374284 /nfs/dbraw/zinc/37/42/84/1022374284.db2.gz ATSCIFAFFLHPJO-UHFFFAOYSA-N 1 2 331.466 3.818 20 0 EHADLO CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccs1 ZINC000302844728 1022374295 /nfs/dbraw/zinc/37/42/95/1022374295.db2.gz ATSCIFAFFLHPJO-UHFFFAOYSA-N 1 2 331.466 3.818 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)[nH]c(C)c1C(C)=O ZINC000051083014 1022379964 /nfs/dbraw/zinc/37/99/64/1022379964.db2.gz MZPFVQHCCVTXFR-UHFFFAOYSA-N 1 2 336.395 3.526 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CCc4c(F)cccc4C3)cn2)cc1 ZINC000438104306 1022389624 /nfs/dbraw/zinc/38/96/24/1022389624.db2.gz MRHNFKLTDJEAES-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CCc4c(F)cccc4C3)cn2)cc1 ZINC000438104306 1022389640 /nfs/dbraw/zinc/38/96/40/1022389640.db2.gz MRHNFKLTDJEAES-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000895017742 1022390833 /nfs/dbraw/zinc/39/08/33/1022390833.db2.gz XQPATOGZHCPRMD-LJQANCHMSA-N 1 2 348.491 3.509 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000895017742 1022390847 /nfs/dbraw/zinc/39/08/47/1022390847.db2.gz XQPATOGZHCPRMD-LJQANCHMSA-N 1 2 348.491 3.509 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)[C@@H](CC)CN1C(C)=O ZINC000438126317 1022405044 /nfs/dbraw/zinc/40/50/44/1022405044.db2.gz JPWRQVPQXLVEMN-JKSUJKDBSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)[C@@H](CC)CN1C(C)=O ZINC000438126317 1022405054 /nfs/dbraw/zinc/40/50/54/1022405054.db2.gz JPWRQVPQXLVEMN-JKSUJKDBSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000120701007 1022426999 /nfs/dbraw/zinc/42/69/99/1022426999.db2.gz WNSQRHZWCCQTDE-MAUKXSAKSA-N 1 2 326.444 3.592 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000550113817 1022478353 /nfs/dbraw/zinc/47/83/53/1022478353.db2.gz QDGOPODSKYMWEB-INIZCTEOSA-N 1 2 339.863 3.835 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000550113817 1022478359 /nfs/dbraw/zinc/47/83/59/1022478359.db2.gz QDGOPODSKYMWEB-INIZCTEOSA-N 1 2 339.863 3.835 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000550110763 1022486738 /nfs/dbraw/zinc/48/67/38/1022486738.db2.gz QWZZWWAWANQJPQ-CQSZACIVSA-N 1 2 331.375 3.894 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826992 1022491544 /nfs/dbraw/zinc/49/15/44/1022491544.db2.gz DOVIVXDKLRUSLF-VQIMIIECSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826992 1022491555 /nfs/dbraw/zinc/49/15/55/1022491555.db2.gz DOVIVXDKLRUSLF-VQIMIIECSA-N 1 2 341.499 3.860 20 0 EHADLO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)OC(C)(C)C ZINC000101558680 1022523069 /nfs/dbraw/zinc/52/30/69/1022523069.db2.gz XKWVIRKCAXMJIS-UHFFFAOYSA-N 1 2 330.428 3.548 20 0 EHADLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)OC(C)(C)C ZINC000101558680 1022523080 /nfs/dbraw/zinc/52/30/80/1022523080.db2.gz XKWVIRKCAXMJIS-UHFFFAOYSA-N 1 2 330.428 3.548 20 0 EHADLO CCC[N@H+](CCC(=O)Nc1cccc(Br)c1)CC(F)F ZINC000303781310 1022526470 /nfs/dbraw/zinc/52/64/70/1022526470.db2.gz OJQJFQIPVAQYSS-UHFFFAOYSA-N 1 2 349.219 3.755 20 0 EHADLO CCC[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC(F)F ZINC000303781310 1022526472 /nfs/dbraw/zinc/52/64/72/1022526472.db2.gz OJQJFQIPVAQYSS-UHFFFAOYSA-N 1 2 349.219 3.755 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000438299439 1022540186 /nfs/dbraw/zinc/54/01/86/1022540186.db2.gz MAJIGFXWIMSOPN-BEFAXECRSA-N 1 2 329.415 3.612 20 0 EHADLO CC(C)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000438302383 1022542344 /nfs/dbraw/zinc/54/23/44/1022542344.db2.gz HWGWVIFBBNEWOL-UHFFFAOYSA-N 1 2 348.450 3.682 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833764 1022584873 /nfs/dbraw/zinc/58/48/73/1022584873.db2.gz UOSMWAAXKXBOMV-NRLXWARBSA-N 1 2 329.488 3.548 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833764 1022584882 /nfs/dbraw/zinc/58/48/82/1022584882.db2.gz UOSMWAAXKXBOMV-NRLXWARBSA-N 1 2 329.488 3.548 20 0 EHADLO CCC(CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042954971 1022627518 /nfs/dbraw/zinc/62/75/18/1022627518.db2.gz RZSNAKJMPYUFEH-GASCZTMLSA-N 1 2 333.476 3.606 20 0 EHADLO CCC(CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042954971 1022627520 /nfs/dbraw/zinc/62/75/20/1022627520.db2.gz RZSNAKJMPYUFEH-GASCZTMLSA-N 1 2 333.476 3.606 20 0 EHADLO CC[C@H](C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002678 1022635432 /nfs/dbraw/zinc/63/54/32/1022635432.db2.gz GUJWHQJANDNQEN-ZOBUZTSGSA-N 1 2 329.444 3.620 20 0 EHADLO CC[C@H](C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002678 1022635440 /nfs/dbraw/zinc/63/54/40/1022635440.db2.gz GUJWHQJANDNQEN-ZOBUZTSGSA-N 1 2 329.444 3.620 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000517780849 1022664741 /nfs/dbraw/zinc/66/47/41/1022664741.db2.gz CYDPKFURVCLDGK-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000517780849 1022664747 /nfs/dbraw/zinc/66/47/47/1022664747.db2.gz CYDPKFURVCLDGK-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC1CC1)c1nnc2n1CCC2 ZINC000430778669 1022687004 /nfs/dbraw/zinc/68/70/04/1022687004.db2.gz ULFJHVFWDJOZFW-LBPRGKRZSA-N 1 2 346.862 3.517 20 0 EHADLO CC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012580 1022722641 /nfs/dbraw/zinc/72/26/41/1022722641.db2.gz RKQRQUYWFQWBSX-DZUCGIPZSA-N 1 2 327.428 3.545 20 0 EHADLO CC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012580 1022722657 /nfs/dbraw/zinc/72/26/57/1022722657.db2.gz RKQRQUYWFQWBSX-DZUCGIPZSA-N 1 2 327.428 3.545 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000894688089 1022732094 /nfs/dbraw/zinc/73/20/94/1022732094.db2.gz ZBARDIOITUHHEY-UHFFFAOYSA-N 1 2 334.414 3.524 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000894688089 1022732108 /nfs/dbraw/zinc/73/21/08/1022732108.db2.gz ZBARDIOITUHHEY-UHFFFAOYSA-N 1 2 334.414 3.524 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC000119494848 1033079416 /nfs/dbraw/zinc/07/94/16/1033079416.db2.gz YXHRVFFSVYGBDT-GOSISDBHSA-N 1 2 331.504 3.952 20 0 EHADLO CCCCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000510673054 1022862126 /nfs/dbraw/zinc/86/21/26/1022862126.db2.gz YDDIKWATQZARQK-SFHVURJKSA-N 1 2 338.455 3.825 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000305131792 1022864986 /nfs/dbraw/zinc/86/49/86/1022864986.db2.gz JYJUTXZUSYIUOL-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000426087290 1022867390 /nfs/dbraw/zinc/86/73/90/1022867390.db2.gz VSFFITYETFDPIB-MGPQQGTHSA-N 1 2 346.397 3.597 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c(OCCC)c1 ZINC000894771686 1022867547 /nfs/dbraw/zinc/86/75/47/1022867547.db2.gz RDGOUZVXAIRZRN-CYBMUJFWSA-N 1 2 332.448 3.542 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2c(OC(F)F)ccc3ccccc32)[nH]1 ZINC000894771721 1022869144 /nfs/dbraw/zinc/86/91/44/1022869144.db2.gz SMPNZAHZZZFCJE-JTQLQIEISA-N 1 2 332.354 3.719 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)n1cc[nH+]c1 ZINC000517944936 1022871580 /nfs/dbraw/zinc/87/15/80/1022871580.db2.gz QOOGZCYMEDCICQ-WBMJQRKESA-N 1 2 349.381 3.629 20 0 EHADLO COc1ccnc(C[NH2+]C(c2ccccc2)c2ccccc2)c1OC ZINC000188664631 1022876201 /nfs/dbraw/zinc/87/62/01/1022876201.db2.gz IBEMMRINYZYUQJ-UHFFFAOYSA-N 1 2 334.419 3.978 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccco2)cc1 ZINC000894786788 1022911296 /nfs/dbraw/zinc/91/12/96/1022911296.db2.gz CGEUMUNMNPUIJI-IBGZPJMESA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC000894794314 1022934751 /nfs/dbraw/zinc/93/47/51/1022934751.db2.gz NTOBTEPNMMBEDR-UHFFFAOYSA-N 1 2 348.491 3.509 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC000894794314 1022934763 /nfs/dbraw/zinc/93/47/63/1022934763.db2.gz NTOBTEPNMMBEDR-UHFFFAOYSA-N 1 2 348.491 3.509 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CCO1 ZINC000506352333 1022987906 /nfs/dbraw/zinc/98/79/06/1022987906.db2.gz GTEZCROTUGFQPU-MRXNPFEDSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CCO1 ZINC000506352333 1022987919 /nfs/dbraw/zinc/98/79/19/1022987919.db2.gz GTEZCROTUGFQPU-MRXNPFEDSA-N 1 2 347.480 3.947 20 0 EHADLO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000438786141 1022998895 /nfs/dbraw/zinc/99/88/95/1022998895.db2.gz XLTGVAVDIOEEBX-LLVKDONJSA-N 1 2 349.312 3.759 20 0 EHADLO CC(C)n1cc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)nn1 ZINC000449729615 1033099869 /nfs/dbraw/zinc/09/98/69/1033099869.db2.gz AYILWMKYUJPJSG-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO C[C@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000438827477 1023044812 /nfs/dbraw/zinc/04/48/12/1023044812.db2.gz SIYQRKVSQJFOJK-ZMZPIMSZSA-N 1 2 346.356 3.705 20 0 EHADLO Cn1ccc2cccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c21 ZINC000471902399 1023065045 /nfs/dbraw/zinc/06/50/45/1023065045.db2.gz YVDKBOAPYZZRCG-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000189723614 1023094700 /nfs/dbraw/zinc/09/47/00/1023094700.db2.gz AEPPBZQKEADYSI-FQEVSTJZSA-N 1 2 343.471 3.890 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000189723614 1023094714 /nfs/dbraw/zinc/09/47/14/1023094714.db2.gz AEPPBZQKEADYSI-FQEVSTJZSA-N 1 2 343.471 3.890 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832384 1023118214 /nfs/dbraw/zinc/11/82/14/1023118214.db2.gz LBPZGKQRVQOEBR-OAHLLOKOSA-N 1 2 327.428 3.833 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832384 1023118222 /nfs/dbraw/zinc/11/82/22/1023118222.db2.gz LBPZGKQRVQOEBR-OAHLLOKOSA-N 1 2 327.428 3.833 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000476309463 1033106948 /nfs/dbraw/zinc/10/69/48/1033106948.db2.gz YFTRLIBDUWHEEB-ZFWWWQNUSA-N 1 2 343.446 3.963 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000476309463 1033106963 /nfs/dbraw/zinc/10/69/63/1033106963.db2.gz YFTRLIBDUWHEEB-ZFWWWQNUSA-N 1 2 343.446 3.963 20 0 EHADLO COc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1OC(C)C ZINC000895068047 1023144122 /nfs/dbraw/zinc/14/41/22/1023144122.db2.gz GLHXNIOVJKPMJT-UHFFFAOYSA-N 1 2 341.455 3.643 20 0 EHADLO COc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1OC(C)C ZINC000895068047 1023144129 /nfs/dbraw/zinc/14/41/29/1023144129.db2.gz GLHXNIOVJKPMJT-UHFFFAOYSA-N 1 2 341.455 3.643 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000366735967 1023153712 /nfs/dbraw/zinc/15/37/12/1023153712.db2.gz GPTOFJOSYUEJOV-GLFJAGTFSA-N 1 2 343.858 3.612 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2C)c(C)c1 ZINC000441483579 1023165514 /nfs/dbraw/zinc/16/55/14/1023165514.db2.gz WFOACZIWQWRAFY-FQEVSTJZSA-N 1 2 333.435 3.980 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000579421369 1023209190 /nfs/dbraw/zinc/20/91/90/1023209190.db2.gz RBZRCYMXXPFRTK-DOMZBBRYSA-N 1 2 337.345 3.512 20 0 EHADLO C#Cc1cccc(N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C(C)C)c1 ZINC000077293190 1023209464 /nfs/dbraw/zinc/20/94/64/1023209464.db2.gz YVCABHSEDKBPAB-UHFFFAOYSA-N 1 2 331.419 3.608 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(SCCOC)cc2)o1 ZINC000341742186 1023220581 /nfs/dbraw/zinc/22/05/81/1023220581.db2.gz HPNGZRJPMNDNPL-STQMWFEESA-N 1 2 335.473 3.782 20 0 EHADLO c1ccc(-c2nccc(NCc3cc[nH+]c(N4CCCCC4)c3)n2)cc1 ZINC000520489616 1023268100 /nfs/dbraw/zinc/26/81/00/1023268100.db2.gz LHPZRVZURILPBE-UHFFFAOYSA-N 1 2 345.450 3.563 20 0 EHADLO Cc1cc(C)n(-c2ccc(CNc3cc(C)[nH+]c(C4CCC4)n3)cn2)n1 ZINC000891891455 1023307603 /nfs/dbraw/zinc/30/76/03/1023307603.db2.gz QFVVJEDPJZTBQH-UHFFFAOYSA-N 1 2 348.454 3.862 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000178407449 1023370169 /nfs/dbraw/zinc/37/01/69/1023370169.db2.gz OSWWXTCUGNMGJI-UHFFFAOYSA-N 1 2 348.406 3.787 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000341844678 1023444311 /nfs/dbraw/zinc/44/43/11/1023444311.db2.gz PMZJODFZBGUAKX-MUYFXNHWSA-N 1 2 325.456 3.752 20 0 EHADLO CC(=O)Nc1cccc2c1CCN(c1cc(C)[nH+]c(C3CCC3)n1)C2 ZINC000891940385 1023476021 /nfs/dbraw/zinc/47/60/21/1023476021.db2.gz OWBDPZDTZQMZLT-UHFFFAOYSA-N 1 2 336.439 3.574 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535774209 1023625336 /nfs/dbraw/zinc/62/53/36/1023625336.db2.gz VAAATTKUQSTCNS-GOSISDBHSA-N 1 2 325.456 3.914 20 0 EHADLO Cc1cccc([C@H](NCc2c[nH+]cn2C(C)C)C(=O)OC(C)(C)C)c1 ZINC000897749435 1033148616 /nfs/dbraw/zinc/14/86/16/1033148616.db2.gz IWIGHNULUQCNFG-SFHVURJKSA-N 1 2 343.471 3.945 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785594 1023633657 /nfs/dbraw/zinc/63/36/57/1023633657.db2.gz XMAGSIQURYPEMX-CYBMUJFWSA-N 1 2 332.398 3.548 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785594 1023633661 /nfs/dbraw/zinc/63/36/61/1023633661.db2.gz XMAGSIQURYPEMX-CYBMUJFWSA-N 1 2 332.398 3.548 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)s1 ZINC000602771322 1033151314 /nfs/dbraw/zinc/15/13/14/1033151314.db2.gz GHYXMLRKEPNYOP-UHFFFAOYSA-N 1 2 348.468 3.577 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)s1 ZINC000602771322 1033151319 /nfs/dbraw/zinc/15/13/19/1033151319.db2.gz GHYXMLRKEPNYOP-UHFFFAOYSA-N 1 2 348.468 3.577 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H]1CO ZINC000934016614 1023681828 /nfs/dbraw/zinc/68/18/28/1023681828.db2.gz IRRNGVGBSSJQEV-ONGXEEELSA-N 1 2 327.211 3.776 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H]1CO ZINC000934016614 1023681831 /nfs/dbraw/zinc/68/18/31/1023681831.db2.gz IRRNGVGBSSJQEV-ONGXEEELSA-N 1 2 327.211 3.776 20 0 EHADLO Cc1nc(CC[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cs1 ZINC000341983969 1023733914 /nfs/dbraw/zinc/73/39/14/1023733914.db2.gz GORVQEFZTJOLRK-MRXNPFEDSA-N 1 2 326.387 3.843 20 0 EHADLO Cc1nc(CC[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cs1 ZINC000341983969 1023733924 /nfs/dbraw/zinc/73/39/24/1023733924.db2.gz GORVQEFZTJOLRK-MRXNPFEDSA-N 1 2 326.387 3.843 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000341995579 1023748559 /nfs/dbraw/zinc/74/85/59/1023748559.db2.gz GSXYWJAMGNWWOA-RYUDHWBXSA-N 1 2 341.386 3.633 20 0 EHADLO Cc1noc(C[C@H]([NH2+][C@@H](C)c2csc(C)n2)c2ccccc2)n1 ZINC000277093540 1023757719 /nfs/dbraw/zinc/75/77/19/1023757719.db2.gz KUTBBTRXYYWHQW-NHYWBVRUSA-N 1 2 328.441 3.778 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277125726 1023805585 /nfs/dbraw/zinc/80/55/85/1023805585.db2.gz SLCBIODUZCNVEX-UHFFFAOYSA-N 1 2 338.455 3.766 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1C1CC1 ZINC000548500971 1023863093 /nfs/dbraw/zinc/86/30/93/1023863093.db2.gz FHQQNTWNXQKIJF-QGZVFWFLSA-N 1 2 336.439 3.668 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000684620423 1023866221 /nfs/dbraw/zinc/86/62/21/1023866221.db2.gz QEJQFVTVUWEUSG-AWEZNQCLSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000684620423 1023866226 /nfs/dbraw/zinc/86/62/26/1023866226.db2.gz QEJQFVTVUWEUSG-AWEZNQCLSA-N 1 2 337.769 3.892 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000458319259 1023935227 /nfs/dbraw/zinc/93/52/27/1023935227.db2.gz OZIWEESGAZNZLO-CQSZACIVSA-N 1 2 346.500 3.524 20 0 EHADLO CCCOCc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000192282400 1023968799 /nfs/dbraw/zinc/96/87/99/1023968799.db2.gz IURNQXKETVCFPW-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO CCCOCc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000192282400 1023968809 /nfs/dbraw/zinc/96/88/09/1023968809.db2.gz IURNQXKETVCFPW-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)c[nH+]1 ZINC000459101980 1023981944 /nfs/dbraw/zinc/98/19/44/1023981944.db2.gz AIYJGZQGBJLHCD-LJQANCHMSA-N 1 2 338.455 3.920 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000520503687 1024007832 /nfs/dbraw/zinc/00/78/32/1024007832.db2.gz WKXKGLZSCOHBEZ-GOSISDBHSA-N 1 2 341.846 3.534 20 0 EHADLO Cc1cccc(C2(C(=O)NCCCCn3cc[nH+]c3)CCCC2)c1 ZINC000522189418 1024014326 /nfs/dbraw/zinc/01/43/26/1024014326.db2.gz CXUBWJMVBKHALF-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO O=C(CCCc1cccs1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988046 1024031322 /nfs/dbraw/zinc/03/13/22/1024031322.db2.gz SWZFCVJSOBQDHE-QGZVFWFLSA-N 1 2 348.899 3.897 20 0 EHADLO OCC[N@H+](Cc1ccsc1Br)Cc1ccccc1 ZINC000388993696 1024075859 /nfs/dbraw/zinc/07/58/59/1024075859.db2.gz VVPQAQXIMZURFA-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO OCC[N@@H+](Cc1ccsc1Br)Cc1ccccc1 ZINC000388993696 1024075879 /nfs/dbraw/zinc/07/58/79/1024075879.db2.gz VVPQAQXIMZURFA-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000602790956 1033191084 /nfs/dbraw/zinc/19/10/84/1033191084.db2.gz AJGITEXYHNKCFX-BDJLRTHQSA-N 1 2 332.375 3.792 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000514102949 1024133572 /nfs/dbraw/zinc/13/35/72/1024133572.db2.gz XOYYWLVGYCRGOX-PBHICJAKSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000514102949 1024133578 /nfs/dbraw/zinc/13/35/78/1024133578.db2.gz XOYYWLVGYCRGOX-PBHICJAKSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(-n2c3ccccc3[nH+]c2NCc2cncc(F)c2)c1 ZINC000508450075 1024134997 /nfs/dbraw/zinc/13/49/97/1024134997.db2.gz CBURTGWTUXQHSC-UHFFFAOYSA-N 1 2 348.381 3.602 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000602790965 1033191355 /nfs/dbraw/zinc/19/13/55/1033191355.db2.gz AJGITEXYHNKCFX-ZBEGNZNMSA-N 1 2 332.375 3.792 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000343305177 1024183073 /nfs/dbraw/zinc/18/30/73/1024183073.db2.gz UGZYPEXUSCJWPH-OESLAJAZSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000343305177 1024183080 /nfs/dbraw/zinc/18/30/80/1024183080.db2.gz UGZYPEXUSCJWPH-OESLAJAZSA-N 1 2 336.426 3.653 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000151585565 1024188836 /nfs/dbraw/zinc/18/88/36/1024188836.db2.gz CKWZCCFROJQGGY-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000548519373 1024189118 /nfs/dbraw/zinc/18/91/18/1024189118.db2.gz UHKNNDLTHQBNMM-GOSISDBHSA-N 1 2 325.456 3.624 20 0 EHADLO COC1(C[C@@H](C)Nc2ccccc2OCCn2cc[nH+]c2)CCC1 ZINC000277195616 1024189222 /nfs/dbraw/zinc/18/92/22/1024189222.db2.gz VFBFOCVLQSNORJ-MRXNPFEDSA-N 1 2 329.444 3.722 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(C)C)nc1 ZINC000277200623 1024195555 /nfs/dbraw/zinc/19/55/55/1024195555.db2.gz CLYYUYURFRZWML-UHFFFAOYSA-N 1 2 328.460 3.516 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346033966 1024204287 /nfs/dbraw/zinc/20/42/87/1024204287.db2.gz RFQDLCHSPMIOTP-KBPBESRZSA-N 1 2 330.378 3.781 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346033966 1024204292 /nfs/dbraw/zinc/20/42/92/1024204292.db2.gz RFQDLCHSPMIOTP-KBPBESRZSA-N 1 2 330.378 3.781 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1C[C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179558 1024205096 /nfs/dbraw/zinc/20/50/96/1024205096.db2.gz JJMWNTGNCVHWRW-UONOGXRCSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1C[C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179558 1024205112 /nfs/dbraw/zinc/20/51/12/1024205112.db2.gz JJMWNTGNCVHWRW-UONOGXRCSA-N 1 2 343.439 3.847 20 0 EHADLO CC(=O)OC1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000178982792 1024210151 /nfs/dbraw/zinc/21/01/51/1024210151.db2.gz DOQRCGMEYWQHLJ-LLVKDONJSA-N 1 2 337.370 3.520 20 0 EHADLO CSc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000342140989 1024224345 /nfs/dbraw/zinc/22/43/45/1024224345.db2.gz ZBWWMECGDMKUIP-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179040121 1024258676 /nfs/dbraw/zinc/25/86/76/1024258676.db2.gz IAXJCAFYSOBQLE-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179040121 1024258698 /nfs/dbraw/zinc/25/86/98/1024258698.db2.gz IAXJCAFYSOBQLE-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000324158707 1024259210 /nfs/dbraw/zinc/25/92/10/1024259210.db2.gz ASXSXBYNYBKMHJ-GJZGRUSLSA-N 1 2 328.460 3.733 20 0 EHADLO O=C(c1cc2cccc(Cl)c2o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121277134 1024262960 /nfs/dbraw/zinc/26/29/60/1024262960.db2.gz IXZNEYTYSZISOJ-CQSZACIVSA-N 1 2 342.782 3.775 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622839664 1024266123 /nfs/dbraw/zinc/26/61/23/1024266123.db2.gz TUOLWQCOLQRGEJ-WMZOPIPTSA-N 1 2 343.471 3.967 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622839664 1024266130 /nfs/dbraw/zinc/26/61/30/1024266130.db2.gz TUOLWQCOLQRGEJ-WMZOPIPTSA-N 1 2 343.471 3.967 20 0 EHADLO C[C@@H](F)CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000505466321 1024282961 /nfs/dbraw/zinc/28/29/61/1024282961.db2.gz FTEQRNADWOYULF-VXGBXAGGSA-N 1 2 340.443 3.869 20 0 EHADLO C[C@@H](c1nnc(SCCCCF)n1-c1ccc(F)cc1)[NH+](C)C ZINC000505472409 1024302711 /nfs/dbraw/zinc/30/27/11/1024302711.db2.gz AFUUQWLOFSZVNV-LBPRGKRZSA-N 1 2 340.443 3.871 20 0 EHADLO Cc1ccc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)c1 ZINC000425138161 1024303032 /nfs/dbraw/zinc/30/30/32/1024303032.db2.gz ABAPQGXXERFTLQ-FQEVSTJZSA-N 1 2 347.462 3.907 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000342179896 1024321720 /nfs/dbraw/zinc/32/17/20/1024321720.db2.gz YAPGFANABPWAEC-RHSMWYFYSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000342179896 1024321743 /nfs/dbraw/zinc/32/17/43/1024321743.db2.gz YAPGFANABPWAEC-RHSMWYFYSA-N 1 2 327.428 3.689 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)n1 ZINC000892013466 1024333261 /nfs/dbraw/zinc/33/32/61/1024333261.db2.gz JYWDCAAFGDMRDW-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000342181638 1024335882 /nfs/dbraw/zinc/33/58/82/1024335882.db2.gz ZVTRRMJYPSGJPK-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000509982379 1024340684 /nfs/dbraw/zinc/34/06/84/1024340684.db2.gz LKHFFARYHFSFJU-MXVIHJGJSA-N 1 2 331.419 3.607 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1F ZINC000505485042 1024340872 /nfs/dbraw/zinc/34/08/72/1024340872.db2.gz XJZSEVGVZUZTIS-IFXJQAMLSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1F ZINC000505485043 1024341821 /nfs/dbraw/zinc/34/18/21/1024341821.db2.gz XJZSEVGVZUZTIS-KUHUBIRLSA-N 1 2 344.405 3.632 20 0 EHADLO COc1cccc(-c2cc(C[NH2+]Cc3nc(C)c(C)s3)on2)c1 ZINC000897841087 1033204867 /nfs/dbraw/zinc/20/48/67/1033204867.db2.gz HWCDNMHITYRRIB-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c(F)c1 ZINC000324289227 1024362546 /nfs/dbraw/zinc/36/25/46/1024362546.db2.gz MXGRVRRRXYWCNX-OLZOCXBDSA-N 1 2 332.423 3.564 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152405444 1024362790 /nfs/dbraw/zinc/36/27/90/1024362790.db2.gz CHWLKOOUYJOCMV-QFBILLFUSA-N 1 2 337.467 3.533 20 0 EHADLO Cc1ccnc(N2CCC(Nc3cccc[nH+]3)CC2)c1Br ZINC000895351879 1024364545 /nfs/dbraw/zinc/36/45/45/1024364545.db2.gz GDRREAZAOVAJAJ-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000113574543 1024368353 /nfs/dbraw/zinc/36/83/53/1024368353.db2.gz XRBJXNPPGCYGNA-QGZVFWFLSA-N 1 2 348.878 3.965 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505498979 1024382140 /nfs/dbraw/zinc/38/21/40/1024382140.db2.gz PNHFLNXQOTUHNI-WVPUOPKMSA-N 1 2 338.426 3.792 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CC2(C)CCCCC2)CC[NH2+]1 ZINC000505508850 1024405221 /nfs/dbraw/zinc/40/52/21/1024405221.db2.gz XTCYGSZYGJMFLR-KRWDZBQOSA-N 1 2 330.472 3.529 20 0 EHADLO Cc1cc(NC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c(C)c[nH+]1 ZINC000535772395 1024411700 /nfs/dbraw/zinc/41/17/00/1024411700.db2.gz CGLKYSVLNILONW-QGZVFWFLSA-N 1 2 329.419 3.648 20 0 EHADLO Cc1cc(Br)cn2c(C[N@H+](C)Cc3ccoc3)cnc12 ZINC000346117146 1024415851 /nfs/dbraw/zinc/41/58/51/1024415851.db2.gz AWMWOTODHCKIIM-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1cc(Br)cn2c(C[N@@H+](C)Cc3ccoc3)cnc12 ZINC000346117146 1024415859 /nfs/dbraw/zinc/41/58/59/1024415859.db2.gz AWMWOTODHCKIIM-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO COCC[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000535782200 1024424906 /nfs/dbraw/zinc/42/49/06/1024424906.db2.gz DBNOTBWIULHMDY-UHFFFAOYSA-N 1 2 341.274 3.651 20 0 EHADLO COCC[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000535782200 1024424911 /nfs/dbraw/zinc/42/49/11/1024424911.db2.gz DBNOTBWIULHMDY-UHFFFAOYSA-N 1 2 341.274 3.651 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000128897093 1033211842 /nfs/dbraw/zinc/21/18/42/1033211842.db2.gz PYHPAGSTTGYGES-GJYPPUQNSA-N 1 2 338.455 3.735 20 0 EHADLO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nc(C)no2)s1 ZINC000042509707 1024459987 /nfs/dbraw/zinc/45/99/87/1024459987.db2.gz JKRUGQLWBXALIO-UHFFFAOYSA-N 1 2 327.453 3.993 20 0 EHADLO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nc(C)no2)s1 ZINC000042509707 1024459999 /nfs/dbraw/zinc/45/99/99/1024459999.db2.gz JKRUGQLWBXALIO-UHFFFAOYSA-N 1 2 327.453 3.993 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000346158108 1024461050 /nfs/dbraw/zinc/46/10/50/1024461050.db2.gz YYNHGUHKQORBJL-SFHVURJKSA-N 1 2 334.419 3.632 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000346158108 1024461061 /nfs/dbraw/zinc/46/10/61/1024461061.db2.gz YYNHGUHKQORBJL-SFHVURJKSA-N 1 2 334.419 3.632 20 0 EHADLO Cc1cc(N2CC[C@@H](Oc3ccccc3Cl)C2)nc(C2CC2)[nH+]1 ZINC000443708909 1024461510 /nfs/dbraw/zinc/46/15/10/1024461510.db2.gz VDOIFNYYHNIESP-CQSZACIVSA-N 1 2 329.831 3.974 20 0 EHADLO CC[C@H](CSC)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228495 1024464012 /nfs/dbraw/zinc/46/40/12/1024464012.db2.gz KGZBNQYNCLAECJ-HZPDHXFCSA-N 1 2 331.485 3.532 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](c1cccnc1)C1CC1 ZINC000425224288 1024469574 /nfs/dbraw/zinc/46/95/74/1024469574.db2.gz KVUCXFGZQFBVDV-ICSRJNTNSA-N 1 2 346.434 3.594 20 0 EHADLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000113936106 1024480188 /nfs/dbraw/zinc/48/01/88/1024480188.db2.gz ASLUJNSRNAQXSZ-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000113936106 1024480202 /nfs/dbraw/zinc/48/02/02/1024480202.db2.gz ASLUJNSRNAQXSZ-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000459132310 1024480740 /nfs/dbraw/zinc/48/07/40/1024480740.db2.gz BUKIYCVBJMVVFT-ZBRFXRBCSA-N 1 2 332.492 3.690 20 0 EHADLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000113937954 1024481073 /nfs/dbraw/zinc/48/10/73/1024481073.db2.gz VGNQNBWRAVADIY-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000113937954 1024481079 /nfs/dbraw/zinc/48/10/79/1024481079.db2.gz VGNQNBWRAVADIY-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1C ZINC000895411968 1024484372 /nfs/dbraw/zinc/48/43/72/1024484372.db2.gz RFMSAJMMWVGGRC-OAHLLOKOSA-N 1 2 327.428 3.576 20 0 EHADLO CCCc1nc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cs1 ZINC000156709312 1024491568 /nfs/dbraw/zinc/49/15/68/1024491568.db2.gz NUTLZJGIBLREDQ-UHFFFAOYSA-N 1 2 326.347 3.907 20 0 EHADLO COCC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccccc1 ZINC000505577376 1024512084 /nfs/dbraw/zinc/51/20/84/1024512084.db2.gz VAZDBXAUQVUTNY-OAHLLOKOSA-N 1 2 330.497 3.917 20 0 EHADLO COCC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccccc1 ZINC000505577376 1024512095 /nfs/dbraw/zinc/51/20/95/1024512095.db2.gz VAZDBXAUQVUTNY-OAHLLOKOSA-N 1 2 330.497 3.917 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000280976293 1024515506 /nfs/dbraw/zinc/51/55/06/1024515506.db2.gz LJWSAIHHDYRXTL-UHFFFAOYSA-N 1 2 349.478 3.882 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CC[C@H]1c1ccccc1)OCO2 ZINC000434982064 1024528071 /nfs/dbraw/zinc/52/80/71/1024528071.db2.gz NAJRHEGZMIMKCY-AWEZNQCLSA-N 1 2 333.334 3.964 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CC[C@H]1c1ccccc1)OCO2 ZINC000434982064 1024528083 /nfs/dbraw/zinc/52/80/83/1024528083.db2.gz NAJRHEGZMIMKCY-AWEZNQCLSA-N 1 2 333.334 3.964 20 0 EHADLO O=c1[nH]c(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)nc2ccccc21 ZINC000053128520 1024534253 /nfs/dbraw/zinc/53/42/53/1024534253.db2.gz XRQNGIAMGSMRNN-UHFFFAOYSA-N 1 2 339.826 3.741 20 0 EHADLO O=c1[nH]c(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)nc2ccccc21 ZINC000053128520 1024534267 /nfs/dbraw/zinc/53/42/67/1024534267.db2.gz XRQNGIAMGSMRNN-UHFFFAOYSA-N 1 2 339.826 3.741 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1c1ccccc1Cl ZINC000346226167 1024540283 /nfs/dbraw/zinc/54/02/83/1024540283.db2.gz VOBSHYPWOVYTOX-CJNGLKHVSA-N 1 2 329.831 3.847 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccco3)CC2)cc1 ZINC000607619157 1033218812 /nfs/dbraw/zinc/21/88/12/1033218812.db2.gz BTMRPXXZULBDNS-KRWDZBQOSA-N 1 2 340.467 3.851 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000435039022 1024561750 /nfs/dbraw/zinc/56/17/50/1024561750.db2.gz ZJAWVLJFAKBFDN-UHFFFAOYSA-N 1 2 331.435 3.789 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCOc2c(F)cccc2C1 ZINC000435039022 1024561756 /nfs/dbraw/zinc/56/17/56/1024561756.db2.gz ZJAWVLJFAKBFDN-UHFFFAOYSA-N 1 2 331.435 3.789 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)c1ccccc1)C2 ZINC000474202291 1024573475 /nfs/dbraw/zinc/57/34/75/1024573475.db2.gz SQNVYPSHKWSBQK-HOCLYGCPSA-N 1 2 325.456 3.558 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)c1ccccc1)CC2 ZINC000474202291 1024573495 /nfs/dbraw/zinc/57/34/95/1024573495.db2.gz SQNVYPSHKWSBQK-HOCLYGCPSA-N 1 2 325.456 3.558 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)no1 ZINC000435058890 1024588200 /nfs/dbraw/zinc/58/82/00/1024588200.db2.gz UYRAVQJJTAOROW-HXUWFJFHSA-N 1 2 347.462 3.958 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)no1 ZINC000435058890 1024588208 /nfs/dbraw/zinc/58/82/08/1024588208.db2.gz UYRAVQJJTAOROW-HXUWFJFHSA-N 1 2 347.462 3.958 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)NCCCNc1cccc[nH+]1 ZINC000346266814 1024588460 /nfs/dbraw/zinc/58/84/60/1024588460.db2.gz BCBFROGUNSUXEP-UHFFFAOYSA-N 1 2 348.450 3.628 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1c[nH]c2ccccc21 ZINC000346280927 1024599026 /nfs/dbraw/zinc/59/90/26/1024599026.db2.gz PABHBFHGIHUXQJ-RDJZCZTQSA-N 1 2 349.434 3.736 20 0 EHADLO Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3c(C)cc(C)[nH+]c3C)c2c1 ZINC000182509346 1024600575 /nfs/dbraw/zinc/60/05/75/1024600575.db2.gz RBKVSBPSKSSPFE-UHFFFAOYSA-N 1 2 339.370 3.960 20 0 EHADLO C[C@@H](CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000156851293 1024616233 /nfs/dbraw/zinc/61/62/33/1024616233.db2.gz YDRPFJKRBVZELU-ZDUSSCGKSA-N 1 2 329.469 3.653 20 0 EHADLO C[C@@H](CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000156851293 1024616249 /nfs/dbraw/zinc/61/62/49/1024616249.db2.gz YDRPFJKRBVZELU-ZDUSSCGKSA-N 1 2 329.469 3.653 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCc2ccccc2OC)o1 ZINC000505605653 1024628804 /nfs/dbraw/zinc/62/88/04/1024628804.db2.gz HOXVMSZLJXTRJW-SFHVURJKSA-N 1 2 329.440 3.857 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCc2ccccc2OC)o1 ZINC000505605653 1024628809 /nfs/dbraw/zinc/62/88/09/1024628809.db2.gz HOXVMSZLJXTRJW-SFHVURJKSA-N 1 2 329.440 3.857 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139550 1024647742 /nfs/dbraw/zinc/64/77/42/1024647742.db2.gz XIEILRIXEMXHFX-GWCFXTLKSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139550 1024647751 /nfs/dbraw/zinc/64/77/51/1024647751.db2.gz XIEILRIXEMXHFX-GWCFXTLKSA-N 1 2 342.386 3.986 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1OCC ZINC000514682565 1024653533 /nfs/dbraw/zinc/65/35/33/1024653533.db2.gz PMBBSAPAVQWKER-CABCVRRESA-N 1 2 345.443 3.509 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614673361 1024657407 /nfs/dbraw/zinc/65/74/07/1024657407.db2.gz HLDBPSUVYVIXSF-IAGOWNOFSA-N 1 2 349.544 3.824 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(-c4ccco4)s3)n2)C1 ZINC000349850263 1024675272 /nfs/dbraw/zinc/67/52/72/1024675272.db2.gz LJSHPAGPGWRVCU-ZDUSSCGKSA-N 1 2 345.424 3.840 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(-c4ccco4)s3)n2)C1 ZINC000349850263 1024675287 /nfs/dbraw/zinc/67/52/87/1024675287.db2.gz LJSHPAGPGWRVCU-ZDUSSCGKSA-N 1 2 345.424 3.840 20 0 EHADLO CC(C)(C)OC(=O)CC1([NH2+]Cc2nnsc2Cl)CCCCC1 ZINC000602877405 1033229354 /nfs/dbraw/zinc/22/93/54/1033229354.db2.gz IHXOAQQYWGPYPB-UHFFFAOYSA-N 1 2 345.896 3.716 20 0 EHADLO Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1OC(C)C ZINC000427655187 1024710039 /nfs/dbraw/zinc/71/00/39/1024710039.db2.gz QTAYLTLCBRVBOZ-UHFFFAOYSA-N 1 2 336.395 3.615 20 0 EHADLO CCOC(=O)c1cccc(CNc2[nH+]cccc2CSCC)n1 ZINC000895687439 1024720775 /nfs/dbraw/zinc/72/07/75/1024720775.db2.gz BWRVRFVKTFFGJE-UHFFFAOYSA-N 1 2 331.441 3.519 20 0 EHADLO Cc1ccnc2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc12 ZINC000505641393 1024726974 /nfs/dbraw/zinc/72/69/74/1024726974.db2.gz VGQVZMINIPONME-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000425311845 1024730148 /nfs/dbraw/zinc/73/01/48/1024730148.db2.gz GAFZJUKDCSLBDQ-MJGOQNOKSA-N 1 2 335.451 3.723 20 0 EHADLO C[NH+](C)[C@H](CN[C@H](c1ccc(F)cc1)c1ccccn1)c1ccco1 ZINC000346437646 1024733419 /nfs/dbraw/zinc/73/34/19/1024733419.db2.gz GWEQPPQQSZENPI-UYAOXDASSA-N 1 2 339.414 3.796 20 0 EHADLO CC(C)[C@@H]1N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425315383 1024751907 /nfs/dbraw/zinc/75/19/07/1024751907.db2.gz OJPIFUBFYWUHHM-MJGOQNOKSA-N 1 2 337.467 3.969 20 0 EHADLO CCOc1ncccc1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346468960 1024754915 /nfs/dbraw/zinc/75/49/15/1024754915.db2.gz VMCOXRNPBAOVDY-LJQANCHMSA-N 1 2 337.398 3.894 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1Cl)[C@H](CCO)c1ccccc1 ZINC000283276493 1024760585 /nfs/dbraw/zinc/76/05/85/1024760585.db2.gz WVZSITKIFSQOIJ-CQSZACIVSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1Cl)[C@H](CCO)c1ccccc1 ZINC000283276493 1024760603 /nfs/dbraw/zinc/76/06/03/1024760603.db2.gz WVZSITKIFSQOIJ-CQSZACIVSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000427732457 1024768264 /nfs/dbraw/zinc/76/82/64/1024768264.db2.gz WXYKPAPEUBJEGE-GFCCVEGCSA-N 1 2 325.334 3.723 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452810800 1024768420 /nfs/dbraw/zinc/76/84/20/1024768420.db2.gz HCNUZFJUESTQIK-UHFFFAOYSA-N 1 2 349.837 3.569 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452810800 1024768435 /nfs/dbraw/zinc/76/84/35/1024768435.db2.gz HCNUZFJUESTQIK-UHFFFAOYSA-N 1 2 349.837 3.569 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1Cl ZINC000514836915 1024778681 /nfs/dbraw/zinc/77/86/81/1024778681.db2.gz KIXURHWOXSSFRZ-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1Cl ZINC000514836915 1024778694 /nfs/dbraw/zinc/77/86/94/1024778694.db2.gz KIXURHWOXSSFRZ-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO O=C(/C=C/C=C(Cl)Cl)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000895763645 1024806223 /nfs/dbraw/zinc/80/62/23/1024806223.db2.gz JMNMULZBTROKKI-GQCTYLIASA-N 1 2 340.254 3.563 20 0 EHADLO CCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000346498267 1024809101 /nfs/dbraw/zinc/80/91/01/1024809101.db2.gz XQXQRUOSIXTYDX-UHFFFAOYSA-N 1 2 342.402 3.657 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCOc2ccc(Br)cc21 ZINC000425342931 1024809120 /nfs/dbraw/zinc/80/91/20/1024809120.db2.gz QPDVEZCDJNLNGY-UHFFFAOYSA-N 1 2 336.233 3.626 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427868691 1024850756 /nfs/dbraw/zinc/85/07/56/1024850756.db2.gz WXXQVDALTBMPOB-GDBMZVCRSA-N 1 2 343.389 3.715 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCc1ccccc1 ZINC000508027421 1024853871 /nfs/dbraw/zinc/85/38/71/1024853871.db2.gz QHJWOCIREWWLLV-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCc1ccccc1 ZINC000508027421 1024853889 /nfs/dbraw/zinc/85/38/89/1024853889.db2.gz QHJWOCIREWWLLV-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1 ZINC000508053396 1024859666 /nfs/dbraw/zinc/85/96/66/1024859666.db2.gz ITFWVRRLUFOFHB-ZDUSSCGKSA-N 1 2 346.496 3.917 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1 ZINC000508053396 1024859683 /nfs/dbraw/zinc/85/96/83/1024859683.db2.gz ITFWVRRLUFOFHB-ZDUSSCGKSA-N 1 2 346.496 3.917 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)n2c1 ZINC000425365304 1024869296 /nfs/dbraw/zinc/86/92/96/1024869296.db2.gz KBXSXSXXMCCJIG-IEBWSBKVSA-N 1 2 341.842 3.604 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)n2c1 ZINC000425365304 1024869319 /nfs/dbraw/zinc/86/93/19/1024869319.db2.gz KBXSXSXXMCCJIG-IEBWSBKVSA-N 1 2 341.842 3.604 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000531077928 1024875910 /nfs/dbraw/zinc/87/59/10/1024875910.db2.gz LKZXSMWSXIBZQB-QAPCUYQASA-N 1 2 344.434 3.595 20 0 EHADLO FC1(F)CC[C@@H](c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310366 1024876596 /nfs/dbraw/zinc/87/65/96/1024876596.db2.gz HYHCDZMQOQSGGL-HUUCEWRRSA-N 1 2 349.381 3.546 20 0 EHADLO FC1(F)CC[C@@H](c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310366 1024876609 /nfs/dbraw/zinc/87/66/09/1024876609.db2.gz HYHCDZMQOQSGGL-HUUCEWRRSA-N 1 2 349.381 3.546 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895837725 1024881728 /nfs/dbraw/zinc/88/17/28/1024881728.db2.gz XNQPREICITYJEV-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895837725 1024881749 /nfs/dbraw/zinc/88/17/49/1024881749.db2.gz XNQPREICITYJEV-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO CCn1c(C[NH2+][C@@H](COC)c2ccc(F)cc2)nc2cc(F)ccc21 ZINC000342329599 1024899748 /nfs/dbraw/zinc/89/97/48/1024899748.db2.gz WCDTWEFWRAHTMG-KRWDZBQOSA-N 1 2 345.393 3.812 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000281335839 1024910102 /nfs/dbraw/zinc/91/01/02/1024910102.db2.gz JYFLFWQZILTQIE-KRWDZBQOSA-N 1 2 343.471 3.654 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCOC4(CCC4)C3)c2)[nH+]c1C ZINC000895855317 1024913570 /nfs/dbraw/zinc/91/35/70/1024913570.db2.gz SPAWBRUSVLCJQG-INIZCTEOSA-N 1 2 339.439 3.981 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009065 1024936522 /nfs/dbraw/zinc/93/65/22/1024936522.db2.gz SBNFLLVYVLMMQH-MAUKXSAKSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1ncc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)s1 ZINC000105448401 1024942833 /nfs/dbraw/zinc/94/28/33/1024942833.db2.gz NAFMTOPHSUUTSN-UHFFFAOYSA-N 1 2 345.449 3.594 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3F)CC2)c1 ZINC000120064363 1033248377 /nfs/dbraw/zinc/24/83/77/1033248377.db2.gz AIUSNOLZPQCOLF-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(F)ccc3F)CC2)c1 ZINC000120064363 1033248395 /nfs/dbraw/zinc/24/83/95/1033248395.db2.gz AIUSNOLZPQCOLF-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000639365560 1024962226 /nfs/dbraw/zinc/96/22/26/1024962226.db2.gz DUESTUOUAQWMAI-SJORKVTESA-N 1 2 347.256 3.542 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000639365560 1024962237 /nfs/dbraw/zinc/96/22/37/1024962237.db2.gz DUESTUOUAQWMAI-SJORKVTESA-N 1 2 347.256 3.542 20 0 EHADLO Cc1cc(N(C)Cc2ncc[nH]2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000428121944 1024996429 /nfs/dbraw/zinc/99/64/29/1024996429.db2.gz RHQRSLHYTGXIPP-UHFFFAOYSA-N 1 2 336.317 3.801 20 0 EHADLO C[C@@H](CC(=O)N(c1ccc(Br)cc1)C1CC1)n1cc[nH+]c1 ZINC000563222847 1025004347 /nfs/dbraw/zinc/00/43/47/1025004347.db2.gz YEGHQNOLAKLSPU-LBPRGKRZSA-N 1 2 348.244 3.792 20 0 EHADLO CCCC[C@H](CCC)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120075510 1033253856 /nfs/dbraw/zinc/25/38/56/1033253856.db2.gz SOZPTOQCJJNBMJ-SJORKVTESA-N 1 2 334.508 3.743 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000346688702 1025015468 /nfs/dbraw/zinc/01/54/68/1025015468.db2.gz NWAAHENZRGSLIF-INIZCTEOSA-N 1 2 347.418 3.604 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000105895679 1025024788 /nfs/dbraw/zinc/02/47/88/1025024788.db2.gz BNNLBQYHXAMVNX-KBPBESRZSA-N 1 2 331.464 3.616 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000105895679 1025024799 /nfs/dbraw/zinc/02/47/99/1025024799.db2.gz BNNLBQYHXAMVNX-KBPBESRZSA-N 1 2 331.464 3.616 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000428208623 1025035248 /nfs/dbraw/zinc/03/52/48/1025035248.db2.gz DNCHFDUDIDBARL-VIFPVBQESA-N 1 2 327.272 3.663 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000428208623 1025035255 /nfs/dbraw/zinc/03/52/55/1025035255.db2.gz DNCHFDUDIDBARL-VIFPVBQESA-N 1 2 327.272 3.663 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCc2ccccc21 ZINC000520800143 1025060704 /nfs/dbraw/zinc/06/07/04/1025060704.db2.gz HPHTUBRURNBKLA-ICSRJNTNSA-N 1 2 345.446 3.778 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054838 1033256008 /nfs/dbraw/zinc/25/60/08/1033256008.db2.gz JXAQPBGEWOWOHD-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054838 1033256020 /nfs/dbraw/zinc/25/60/20/1033256020.db2.gz JXAQPBGEWOWOHD-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@]1=O ZINC000277425682 1025066279 /nfs/dbraw/zinc/06/62/79/1025066279.db2.gz IKDYYQQNMHKCTQ-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@]1=O ZINC000277425682 1025066287 /nfs/dbraw/zinc/06/62/87/1025066287.db2.gz IKDYYQQNMHKCTQ-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000435703801 1025089716 /nfs/dbraw/zinc/08/97/16/1025089716.db2.gz HLSDZZYZAAWKOU-QGZVFWFLSA-N 1 2 346.862 3.863 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277437171 1025106073 /nfs/dbraw/zinc/10/60/73/1025106073.db2.gz MHECXDYGRSSNAC-MRXNPFEDSA-N 1 2 344.459 3.510 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277437171 1025106080 /nfs/dbraw/zinc/10/60/80/1025106080.db2.gz MHECXDYGRSSNAC-MRXNPFEDSA-N 1 2 344.459 3.510 20 0 EHADLO CCOc1cncc(N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000441924693 1025106606 /nfs/dbraw/zinc/10/66/06/1025106606.db2.gz QNSRHJOHMRTCHH-QGZVFWFLSA-N 1 2 337.427 3.542 20 0 EHADLO Cc1cc2occ(-c3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)c2cc1C ZINC000346799885 1025122338 /nfs/dbraw/zinc/12/23/38/1025122338.db2.gz OUNCSKHEILUIOO-KRWDZBQOSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1cc2occ(-c3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)c2cc1C ZINC000346799885 1025122343 /nfs/dbraw/zinc/12/23/43/1025122343.db2.gz OUNCSKHEILUIOO-KRWDZBQOSA-N 1 2 341.411 3.881 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000157815988 1025162246 /nfs/dbraw/zinc/16/22/46/1025162246.db2.gz LDEAYEOOCIZYQP-KRWDZBQOSA-N 1 2 325.437 3.507 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000157815988 1025162253 /nfs/dbraw/zinc/16/22/53/1025162253.db2.gz LDEAYEOOCIZYQP-KRWDZBQOSA-N 1 2 325.437 3.507 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000346830704 1025209640 /nfs/dbraw/zinc/20/96/40/1025209640.db2.gz RSYKMSBKJIBRPV-MSOLQXFVSA-N 1 2 343.496 3.678 20 0 EHADLO Cc1cc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc[nH+]1 ZINC000521137448 1025224996 /nfs/dbraw/zinc/22/49/96/1025224996.db2.gz VWNXLCIKTGCAQR-UHFFFAOYSA-N 1 2 343.430 3.627 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(-c2ccccn2)nc1 ZINC000425426668 1025240597 /nfs/dbraw/zinc/24/05/97/1025240597.db2.gz SVHIJOQFYGQPAU-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(-c2ccccn2)nc1 ZINC000425426668 1025240606 /nfs/dbraw/zinc/24/06/06/1025240606.db2.gz SVHIJOQFYGQPAU-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)C(C)(C)C ZINC000934290058 1025278318 /nfs/dbraw/zinc/27/83/18/1025278318.db2.gz UXVOBWKYLWKCMP-LJQANCHMSA-N 1 2 335.455 3.848 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCSC2(CCC2)C1 ZINC000896250738 1025294008 /nfs/dbraw/zinc/29/40/08/1025294008.db2.gz RZASJROLNSQYKG-GFCCVEGCSA-N 1 2 331.489 3.812 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCCc1cccs1 ZINC000521249835 1025299420 /nfs/dbraw/zinc/29/94/20/1025299420.db2.gz ZMLQYOHDBSSXBY-UHFFFAOYSA-N 1 2 348.516 3.561 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1F ZINC000521253297 1025301581 /nfs/dbraw/zinc/30/15/81/1025301581.db2.gz XNTHIIKGTBZNHV-YVEFUNNKSA-N 1 2 347.409 3.627 20 0 EHADLO COc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1OC ZINC000894311361 1025305065 /nfs/dbraw/zinc/30/50/65/1025305065.db2.gz SQDKJHAXNLPAEW-INIZCTEOSA-N 1 2 348.830 3.599 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)[C@@H](C)C1 ZINC000281648758 1025328824 /nfs/dbraw/zinc/32/88/24/1025328824.db2.gz JOULQJSQTDMNSQ-YOEHRIQHSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)[C@@H](C)C1 ZINC000281648758 1025328833 /nfs/dbraw/zinc/32/88/33/1025328833.db2.gz JOULQJSQTDMNSQ-YOEHRIQHSA-N 1 2 332.469 3.721 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)no1 ZINC000281655611 1025339245 /nfs/dbraw/zinc/33/92/45/1025339245.db2.gz PXHACLSXRJTGMG-QGZVFWFLSA-N 1 2 333.407 3.765 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451285 1025344320 /nfs/dbraw/zinc/34/43/20/1025344320.db2.gz XRQGSJXLAGXWSA-RHSMWYFYSA-N 1 2 338.879 3.806 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451285 1025344333 /nfs/dbraw/zinc/34/43/33/1025344333.db2.gz XRQGSJXLAGXWSA-RHSMWYFYSA-N 1 2 338.879 3.806 20 0 EHADLO FC(F)(F)c1nc(CN2CCC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC001141885946 1025352556 /nfs/dbraw/zinc/35/25/56/1025352556.db2.gz FPFSCXAQJJOHIK-ZDUSSCGKSA-N 1 2 343.374 3.600 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@](C)(c3ccccc3)C2)c[nH+]1 ZINC000896341651 1025365251 /nfs/dbraw/zinc/36/52/51/1025365251.db2.gz BHTIUQXJXZCZIS-FQEVSTJZSA-N 1 2 325.456 3.507 20 0 EHADLO CSc1c(F)cccc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000436080303 1025371979 /nfs/dbraw/zinc/37/19/79/1025371979.db2.gz VDJLGXNADLHIFI-QGZVFWFLSA-N 1 2 344.455 3.677 20 0 EHADLO CSc1c(F)cccc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000436080303 1025371994 /nfs/dbraw/zinc/37/19/94/1025371994.db2.gz VDJLGXNADLHIFI-QGZVFWFLSA-N 1 2 344.455 3.677 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000607746482 1033276881 /nfs/dbraw/zinc/27/68/81/1033276881.db2.gz RQYVIKSGOUAXSK-BFUOFWGJSA-N 1 2 333.378 3.935 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000607746482 1033276886 /nfs/dbraw/zinc/27/68/86/1033276886.db2.gz RQYVIKSGOUAXSK-BFUOFWGJSA-N 1 2 333.378 3.935 20 0 EHADLO C[C@H]([C@H](C)NC(=O)c1ccc(C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000521490233 1025417332 /nfs/dbraw/zinc/41/73/32/1025417332.db2.gz OJGFNOKEJTWZKU-DLBZAZTESA-N 1 2 344.499 3.573 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000152278591 1025464008 /nfs/dbraw/zinc/46/40/08/1025464008.db2.gz XFXDUPNBJFZIAM-UHFFFAOYSA-N 1 2 348.406 3.787 20 0 EHADLO C[C@]1(C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)COC(=O)N1 ZINC000896462495 1025468424 /nfs/dbraw/zinc/46/84/24/1025468424.db2.gz DJRVUNWGMYKVAI-CQSZACIVSA-N 1 2 349.283 3.765 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000303524814 1025473764 /nfs/dbraw/zinc/47/37/64/1025473764.db2.gz DCMAYZHSUONYEL-JKIFEVAISA-N 1 2 344.434 3.635 20 0 EHADLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c(C)c1C ZINC000285852796 1025475518 /nfs/dbraw/zinc/47/55/18/1025475518.db2.gz XFASPPMGCUIOHO-SNVBAGLBSA-N 1 2 339.411 3.636 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1N1CCCC1 ZINC000442805816 1025481513 /nfs/dbraw/zinc/48/15/13/1025481513.db2.gz ZLLPUXVAOIYMJO-UHFFFAOYSA-N 1 2 338.377 3.661 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1N1CCCC1 ZINC000442805816 1025481519 /nfs/dbraw/zinc/48/15/19/1025481519.db2.gz ZLLPUXVAOIYMJO-UHFFFAOYSA-N 1 2 338.377 3.661 20 0 EHADLO O=C(CC1CC(F)(F)C1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000449819581 1033286364 /nfs/dbraw/zinc/28/63/64/1033286364.db2.gz IXFUKCJGJZCPGD-UHFFFAOYSA-N 1 2 325.746 3.900 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000436263332 1025520263 /nfs/dbraw/zinc/52/02/63/1025520263.db2.gz GTGRQQGTXHYAJA-LLVKDONJSA-N 1 2 328.485 3.550 20 0 EHADLO CC1=CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000436263332 1025520274 /nfs/dbraw/zinc/52/02/74/1025520274.db2.gz GTGRQQGTXHYAJA-LLVKDONJSA-N 1 2 328.485 3.550 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccsc1 ZINC000530265218 1025546887 /nfs/dbraw/zinc/54/68/87/1025546887.db2.gz HMGFDKXCQOQBQA-LUKYLMHMSA-N 1 2 341.480 3.786 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C2CC2)c1 ZINC000451117049 1025556863 /nfs/dbraw/zinc/55/68/63/1025556863.db2.gz SPTSXZAYLDSTEP-NSHDSACASA-N 1 2 334.261 3.911 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2c(Cl)ccc3cccnc32)cc1 ZINC000054230985 1025579312 /nfs/dbraw/zinc/57/93/12/1025579312.db2.gz USUXCZSPLXAGDG-UHFFFAOYSA-N 1 2 341.798 3.734 20 0 EHADLO CCCc1csc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000530289859 1025596796 /nfs/dbraw/zinc/59/67/96/1025596796.db2.gz HXBDQLNAXMJMRS-LLVKDONJSA-N 1 2 332.473 3.686 20 0 EHADLO CCCc1csc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000530289859 1025596808 /nfs/dbraw/zinc/59/68/08/1025596808.db2.gz HXBDQLNAXMJMRS-LLVKDONJSA-N 1 2 332.473 3.686 20 0 EHADLO CSc1ccc(F)cc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000342454704 1025602405 /nfs/dbraw/zinc/60/24/05/1025602405.db2.gz SCGVLGBZVKBHDH-UHFFFAOYSA-N 1 2 332.448 3.940 20 0 EHADLO CSc1ccc(F)cc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000342454704 1025602413 /nfs/dbraw/zinc/60/24/13/1025602413.db2.gz SCGVLGBZVKBHDH-UHFFFAOYSA-N 1 2 332.448 3.940 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892227023 1025629728 /nfs/dbraw/zinc/62/97/28/1025629728.db2.gz YZHZUBQVBYYTGI-SSKCKEOISA-N 1 2 341.373 3.518 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892227023 1025629738 /nfs/dbraw/zinc/62/97/38/1025629738.db2.gz YZHZUBQVBYYTGI-SSKCKEOISA-N 1 2 341.373 3.518 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000179250096 1025653739 /nfs/dbraw/zinc/65/37/39/1025653739.db2.gz DHJNKAKMFPQAMM-SFHVURJKSA-N 1 2 346.858 3.658 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cs1 ZINC000443002667 1025655927 /nfs/dbraw/zinc/65/59/27/1025655927.db2.gz PVBRSWAGQSMBFJ-MRXNPFEDSA-N 1 2 349.544 3.854 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cccnc2s1 ZINC000451193137 1025664233 /nfs/dbraw/zinc/66/42/33/1025664233.db2.gz XINQGJFZIDQHRW-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc([S@](C)=O)cc1 ZINC000342470744 1025721661 /nfs/dbraw/zinc/72/16/61/1025721661.db2.gz IKGLDYQEQSVAOM-SPSFWMDKSA-N 1 2 346.477 3.991 20 0 EHADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000413466049 1025742201 /nfs/dbraw/zinc/74/22/01/1025742201.db2.gz BHEWTGIYSQWCKP-IPYPFGDCSA-N 1 2 346.862 3.510 20 0 EHADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000413466049 1025742217 /nfs/dbraw/zinc/74/22/17/1025742217.db2.gz BHEWTGIYSQWCKP-IPYPFGDCSA-N 1 2 346.862 3.510 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CCSCC1 ZINC000474875688 1025744486 /nfs/dbraw/zinc/74/44/86/1025744486.db2.gz BRVSAESXUJRABD-RBSFLKMASA-N 1 2 335.517 3.639 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)cn21 ZINC000121752355 1025752503 /nfs/dbraw/zinc/75/25/03/1025752503.db2.gz ZJQWJDLBCDVIEM-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)cn21 ZINC000121752355 1025752511 /nfs/dbraw/zinc/75/25/11/1025752511.db2.gz ZJQWJDLBCDVIEM-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000081318166 1025762550 /nfs/dbraw/zinc/76/25/50/1025762550.db2.gz PRFQWKDMYKRJGK-LJQANCHMSA-N 1 2 333.435 3.751 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000281971202 1025818308 /nfs/dbraw/zinc/81/83/08/1025818308.db2.gz LFLYQXYXVZUOSP-GOSISDBHSA-N 1 2 336.439 3.907 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000474903603 1025832412 /nfs/dbraw/zinc/83/24/12/1025832412.db2.gz XINXPKNUGIEIJY-ROUUACIJSA-N 1 2 329.488 3.905 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2ccccc2cc1O ZINC000436530890 1025834514 /nfs/dbraw/zinc/83/45/14/1025834514.db2.gz BVXCUXUQHWLPGG-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000329437347 1025845943 /nfs/dbraw/zinc/84/59/43/1025845943.db2.gz MEKODBZMMCEUKY-MRXNPFEDSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000329437347 1025845967 /nfs/dbraw/zinc/84/59/67/1025845967.db2.gz MEKODBZMMCEUKY-MRXNPFEDSA-N 1 2 327.428 3.819 20 0 EHADLO C[C@@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccn(C)n1 ZINC000521982328 1025854839 /nfs/dbraw/zinc/85/48/39/1025854839.db2.gz GKWRNORQKNVZDU-RDTXWAMCSA-N 1 2 332.879 3.561 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000444166731 1025859252 /nfs/dbraw/zinc/85/92/52/1025859252.db2.gz KMJIYALTJJMQFH-NHYWBVRUSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000444166731 1025859272 /nfs/dbraw/zinc/85/92/72/1025859272.db2.gz KMJIYALTJJMQFH-NHYWBVRUSA-N 1 2 333.432 3.612 20 0 EHADLO CCc1cccc2c(CCNC(=O)Nc3ccn4cc[nH+]c4c3)c[nH]c21 ZINC000582330088 1025872069 /nfs/dbraw/zinc/87/20/69/1025872069.db2.gz AMCDYEAMPLUWEM-UHFFFAOYSA-N 1 2 347.422 3.742 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000657394145 1025881754 /nfs/dbraw/zinc/88/17/54/1025881754.db2.gz KJYMHGJJSCNTKY-CYBMUJFWSA-N 1 2 349.500 3.539 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376336 1025907252 /nfs/dbraw/zinc/90/72/52/1025907252.db2.gz MBAGRENCJJRCAY-OAHLLOKOSA-N 1 2 325.456 3.665 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376336 1025907269 /nfs/dbraw/zinc/90/72/69/1025907269.db2.gz MBAGRENCJJRCAY-OAHLLOKOSA-N 1 2 325.456 3.665 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000324482441 1025907851 /nfs/dbraw/zinc/90/78/51/1025907851.db2.gz JGZDMTVJILOBAF-LJQANCHMSA-N 1 2 341.432 3.562 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443326532 1025917700 /nfs/dbraw/zinc/91/77/00/1025917700.db2.gz KUTALOCXJLOOLR-SECBINFHSA-N 1 2 343.294 3.671 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2cccs2)c1C ZINC000444263053 1025982700 /nfs/dbraw/zinc/98/27/00/1025982700.db2.gz FCHNQUPSQDCLTO-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2cccs2)c1C ZINC000444263053 1025982709 /nfs/dbraw/zinc/98/27/09/1025982709.db2.gz FCHNQUPSQDCLTO-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000665580137 1026019486 /nfs/dbraw/zinc/01/94/86/1026019486.db2.gz NLBTUQQAAKPLPG-QGZVFWFLSA-N 1 2 345.446 3.842 20 0 EHADLO CC(C)([NH2+]Cc1nnc(C2CC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000530552936 1026039417 /nfs/dbraw/zinc/03/94/17/1026039417.db2.gz UBVQRWUJZRDOBN-UHFFFAOYSA-N 1 2 341.333 3.871 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000530555870 1026045871 /nfs/dbraw/zinc/04/58/71/1026045871.db2.gz ODOMHFBXZHHUEV-AWEZNQCLSA-N 1 2 340.427 3.535 20 0 EHADLO CC[C@H]1C[C@@H](Nc2cccc(C[N@H+](C)Cc3cscn3)c2)CO1 ZINC000657409501 1026079112 /nfs/dbraw/zinc/07/91/12/1026079112.db2.gz ZBDSBFGWYAAELJ-AEFFLSMTSA-N 1 2 331.485 3.755 20 0 EHADLO CC[C@H]1C[C@@H](Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)CO1 ZINC000657409501 1026079129 /nfs/dbraw/zinc/07/91/29/1026079129.db2.gz ZBDSBFGWYAAELJ-AEFFLSMTSA-N 1 2 331.485 3.755 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H]2Cc2cccc(OC)c2)no1 ZINC000516197162 1026107552 /nfs/dbraw/zinc/10/75/52/1026107552.db2.gz AMDPOKALXCQEJO-INIZCTEOSA-N 1 2 329.444 3.628 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)no1 ZINC000516197162 1026107565 /nfs/dbraw/zinc/10/75/65/1026107565.db2.gz AMDPOKALXCQEJO-INIZCTEOSA-N 1 2 329.444 3.628 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564073 1026118195 /nfs/dbraw/zinc/11/81/95/1026118195.db2.gz LIIKLCXIWIEQPF-NHYWBVRUSA-N 1 2 342.842 3.553 20 0 EHADLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564073 1026118202 /nfs/dbraw/zinc/11/82/02/1026118202.db2.gz LIIKLCXIWIEQPF-NHYWBVRUSA-N 1 2 342.842 3.553 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436748945 1026137252 /nfs/dbraw/zinc/13/72/52/1026137252.db2.gz WMCQQRQLPPBDSY-LLVKDONJSA-N 1 2 345.270 3.693 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436748945 1026137257 /nfs/dbraw/zinc/13/72/57/1026137257.db2.gz WMCQQRQLPPBDSY-LLVKDONJSA-N 1 2 345.270 3.693 20 0 EHADLO FC(F)(F)COc1ccc(C[N@@H+]2CCc3sccc3C2)cn1 ZINC000122041688 1026162797 /nfs/dbraw/zinc/16/27/97/1026162797.db2.gz AZAKXDIPRVHSPP-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO FC(F)(F)COc1ccc(C[N@H+]2CCc3sccc3C2)cn1 ZINC000122041688 1026162810 /nfs/dbraw/zinc/16/28/10/1026162810.db2.gz AZAKXDIPRVHSPP-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000896985069 1026205596 /nfs/dbraw/zinc/20/55/96/1026205596.db2.gz PVQPHDGVSHXBFF-LLVKDONJSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000896985069 1026205608 /nfs/dbraw/zinc/20/56/08/1026205608.db2.gz PVQPHDGVSHXBFF-LLVKDONJSA-N 1 2 345.896 3.533 20 0 EHADLO COCC[C@H]([NH2+]Cc1ncc(C)cn1)c1cccc(C(F)(F)F)c1 ZINC000451689891 1026231075 /nfs/dbraw/zinc/23/10/75/1026231075.db2.gz KOAMWSGYRISDDO-HNNXBMFYSA-N 1 2 339.361 3.671 20 0 EHADLO Cc1ccc(Oc2ccccc2NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000043436587 1026263116 /nfs/dbraw/zinc/26/31/16/1026263116.db2.gz WOIWVZBSZYYRJX-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000111376970 1026267395 /nfs/dbraw/zinc/26/73/95/1026267395.db2.gz ZIHNTKZISYSLGA-UWVGGRQHSA-N 1 2 339.411 3.662 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCOc1ccccc1 ZINC000158314886 1026284329 /nfs/dbraw/zinc/28/43/29/1026284329.db2.gz AVJQEOZGBRTYOO-INIZCTEOSA-N 1 2 337.423 3.732 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCOc1ccccc1 ZINC000158314886 1026284341 /nfs/dbraw/zinc/28/43/41/1026284341.db2.gz AVJQEOZGBRTYOO-INIZCTEOSA-N 1 2 337.423 3.732 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(C)n1Cc1ccco1 ZINC000530778123 1026286665 /nfs/dbraw/zinc/28/66/65/1026286665.db2.gz IPPBYBGZNDAUPJ-GJZGRUSLSA-N 1 2 346.496 3.755 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841618 1026337059 /nfs/dbraw/zinc/33/70/59/1026337059.db2.gz QHTBZJXFPSEFSN-HPFXQQBRSA-N 1 2 330.472 3.700 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841618 1026337064 /nfs/dbraw/zinc/33/70/64/1026337064.db2.gz QHTBZJXFPSEFSN-HPFXQQBRSA-N 1 2 330.472 3.700 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342579019 1026339490 /nfs/dbraw/zinc/33/94/90/1026339490.db2.gz OUTGIWHGHJSHJY-HNNXBMFYSA-N 1 2 337.427 3.928 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)c(C)[nH+]1 ZINC000582469781 1026352598 /nfs/dbraw/zinc/35/25/98/1026352598.db2.gz IEIHDVLOLFVKHX-QGZVFWFLSA-N 1 2 349.438 3.835 20 0 EHADLO CCn1cc(CNc2[nH+]c3ccc(Br)cc3n2CC)cn1 ZINC000167834337 1026366223 /nfs/dbraw/zinc/36/62/23/1026366223.db2.gz JCNUXSOEHVOBSA-UHFFFAOYSA-N 1 2 348.248 3.647 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000451903286 1026369435 /nfs/dbraw/zinc/36/94/35/1026369435.db2.gz DOPGEZWURYMKLB-MRXNPFEDSA-N 1 2 342.270 3.768 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)n1 ZINC000451949156 1026409208 /nfs/dbraw/zinc/40/92/08/1026409208.db2.gz BALWKRAMPZOVLA-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(C(F)(F)F)s2)no1)n1cc[nH+]c1 ZINC000897161840 1026423938 /nfs/dbraw/zinc/42/39/38/1026423938.db2.gz PILGZZIOYJUJGP-QMMMGPOBSA-N 1 2 328.319 3.817 20 0 EHADLO CSc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000161300737 1026434586 /nfs/dbraw/zinc/43/45/86/1026434586.db2.gz ZPBHGRWBZPYFSI-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000452003753 1026443813 /nfs/dbraw/zinc/44/38/13/1026443813.db2.gz GMOVMHPEBWRRKF-LLVKDONJSA-N 1 2 348.447 3.692 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000452003753 1026443820 /nfs/dbraw/zinc/44/38/20/1026443820.db2.gz GMOVMHPEBWRRKF-LLVKDONJSA-N 1 2 348.447 3.692 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000511151656 1026511227 /nfs/dbraw/zinc/51/12/27/1026511227.db2.gz GZIZCQPEKSJVJR-GPMSIDNRSA-N 1 2 330.447 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C ZINC000475363428 1026515519 /nfs/dbraw/zinc/51/55/19/1026515519.db2.gz CXAODAPMELUAIZ-GWCFXTLKSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C ZINC000475363428 1026515525 /nfs/dbraw/zinc/51/55/25/1026515525.db2.gz CXAODAPMELUAIZ-GWCFXTLKSA-N 1 2 349.780 3.990 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)C1(C)C ZINC000248195421 1026522392 /nfs/dbraw/zinc/52/23/92/1026522392.db2.gz OYWDGWSKZJOZPD-SJORKVTESA-N 1 2 332.513 3.631 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000531077926 1026524081 /nfs/dbraw/zinc/52/40/81/1026524081.db2.gz LKZXSMWSXIBZQB-CRAIPNDOSA-N 1 2 344.434 3.595 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1Br)CO2 ZINC000546657565 1026535975 /nfs/dbraw/zinc/53/59/75/1026535975.db2.gz HIJGQZMNKCSZGS-AWEZNQCLSA-N 1 2 340.167 3.951 20 0 EHADLO CCCOc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1OCC ZINC000347318798 1026581968 /nfs/dbraw/zinc/58/19/68/1026581968.db2.gz GZGSQZPJBLGTQJ-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(OC)c1F)c1ccc(F)c(F)c1 ZINC000192707262 1026585229 /nfs/dbraw/zinc/58/52/29/1026585229.db2.gz DKQPODWBHVANTG-OAHLLOKOSA-N 1 2 325.330 3.590 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000582564812 1026610605 /nfs/dbraw/zinc/61/06/05/1026610605.db2.gz ZBPOEBPAIPQIBC-SFHVURJKSA-N 1 2 346.471 3.929 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000582564812 1026610610 /nfs/dbraw/zinc/61/06/10/1026610610.db2.gz ZBPOEBPAIPQIBC-SFHVURJKSA-N 1 2 346.471 3.929 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)s1 ZINC000897269287 1026620594 /nfs/dbraw/zinc/62/05/94/1026620594.db2.gz AZJGXHPNQLADGH-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)s1 ZINC000897269287 1026620603 /nfs/dbraw/zinc/62/06/03/1026620603.db2.gz AZJGXHPNQLADGH-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(CC2CCCCC2)C2CC2)c1C ZINC000051756300 1026629330 /nfs/dbraw/zinc/62/93/30/1026629330.db2.gz AAHPRCSQLSOYNP-UHFFFAOYSA-N 1 2 345.487 3.961 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccnn1C ZINC000192960932 1026655000 /nfs/dbraw/zinc/65/50/00/1026655000.db2.gz MITTZIXUGKWQSO-FZKQIMNGSA-N 1 2 326.831 3.909 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000452333539 1026666701 /nfs/dbraw/zinc/66/67/01/1026666701.db2.gz JRJLSDUGGJOHHV-KBPBESRZSA-N 1 2 349.356 3.980 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176334342 1026667011 /nfs/dbraw/zinc/66/70/11/1026667011.db2.gz AHVYWTUAFMZHQZ-CQSZACIVSA-N 1 2 339.226 3.886 20 0 EHADLO CC[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000277721647 1026680970 /nfs/dbraw/zinc/68/09/70/1026680970.db2.gz OLZKYDLNXTVXMH-QZTJIDSGSA-N 1 2 339.439 3.783 20 0 EHADLO COC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000531250647 1026733082 /nfs/dbraw/zinc/73/30/82/1026733082.db2.gz DIFXLUQXRPPRCM-SFHVURJKSA-N 1 2 325.387 3.693 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452412149 1026734178 /nfs/dbraw/zinc/73/41/78/1026734178.db2.gz BQZYYGNAYWJGQQ-HKUYNNGSSA-N 1 2 325.456 3.878 20 0 EHADLO Brc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301269021 1026744684 /nfs/dbraw/zinc/74/46/84/1026744684.db2.gz UTCVLHRBGNTFAM-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO Brc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301269021 1026744692 /nfs/dbraw/zinc/74/46/92/1026744692.db2.gz UTCVLHRBGNTFAM-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H](c2ccccc2)C1 ZINC000665652907 1026784577 /nfs/dbraw/zinc/78/45/77/1026784577.db2.gz IQZKQPHIOVIBNA-WNHJNPCNSA-N 1 2 337.467 3.534 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000665652905 1026784766 /nfs/dbraw/zinc/78/47/66/1026784766.db2.gz IQZKQPHIOVIBNA-KANFNMMFSA-N 1 2 337.467 3.534 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000611664443 1026801651 /nfs/dbraw/zinc/80/16/51/1026801651.db2.gz IEJPSSPAMQALEN-SVGFKBNWSA-N 1 2 341.455 3.679 20 0 EHADLO c1ccc(-c2nsc(NCCCCNc3cccc[nH+]3)n2)cc1 ZINC000301426218 1026802250 /nfs/dbraw/zinc/80/22/50/1026802250.db2.gz UHAIIEMDSKRKCU-UHFFFAOYSA-N 1 2 325.441 3.904 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000277754335 1026809777 /nfs/dbraw/zinc/80/97/77/1026809777.db2.gz RGWGJWXKQNSEIB-GDBMZVCRSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000531339880 1026826792 /nfs/dbraw/zinc/82/67/92/1026826792.db2.gz ANOQIADSEJUNSV-OAHLLOKOSA-N 1 2 339.277 3.898 20 0 EHADLO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000531339880 1026826800 /nfs/dbraw/zinc/82/68/00/1026826800.db2.gz ANOQIADSEJUNSV-OAHLLOKOSA-N 1 2 339.277 3.898 20 0 EHADLO COc1cccc([C@@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301525941 1026839755 /nfs/dbraw/zinc/83/97/55/1026839755.db2.gz NECBYNVFTBBZLY-SFHVURJKSA-N 1 2 338.455 3.817 20 0 EHADLO COc1cccc([C@@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301525941 1026839760 /nfs/dbraw/zinc/83/97/60/1026839760.db2.gz NECBYNVFTBBZLY-SFHVURJKSA-N 1 2 338.455 3.817 20 0 EHADLO COc1ccc(OC)c([C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301535528 1026844034 /nfs/dbraw/zinc/84/40/34/1026844034.db2.gz QOEWXVFTCCPEAR-AWEZNQCLSA-N 1 2 342.443 3.657 20 0 EHADLO COc1ccc(OC)c([C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301535528 1026844044 /nfs/dbraw/zinc/84/40/44/1026844044.db2.gz QOEWXVFTCCPEAR-AWEZNQCLSA-N 1 2 342.443 3.657 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2nnc(-c3ccccc3)o2)c1 ZINC000301742362 1026923552 /nfs/dbraw/zinc/92/35/52/1026923552.db2.gz LVBHYMCYONJAOB-UHFFFAOYSA-N 1 2 334.301 3.805 20 0 EHADLO CC(C)c1cc(N2CCN(c3nccs3)CC2)nc(C(C)C)[nH+]1 ZINC000301798388 1026941726 /nfs/dbraw/zinc/94/17/26/1026941726.db2.gz BCSFFGSLHRVWFC-UHFFFAOYSA-N 1 2 331.489 3.507 20 0 EHADLO Cc1ccc(-c2nc(CCNc3cc(NCC4CC4)[nH+]cn3)co2)cc1 ZINC000301806665 1026946050 /nfs/dbraw/zinc/94/60/50/1026946050.db2.gz BXEYBJJPEIIUTI-UHFFFAOYSA-N 1 2 349.438 3.917 20 0 EHADLO Cc1ccc(-c2nc(CCNc3cc(NCC4CC4)nc[nH+]3)co2)cc1 ZINC000301806665 1026946058 /nfs/dbraw/zinc/94/60/58/1026946058.db2.gz BXEYBJJPEIIUTI-UHFFFAOYSA-N 1 2 349.438 3.917 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000123088480 1026951183 /nfs/dbraw/zinc/95/11/83/1026951183.db2.gz KNHMZFZXQNPENC-OZOXKJRCSA-N 1 2 337.467 3.587 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342757634 1026972466 /nfs/dbraw/zinc/97/24/66/1026972466.db2.gz NBRWXAOCQHZADU-LJQANCHMSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342757634 1026972475 /nfs/dbraw/zinc/97/24/75/1026972475.db2.gz NBRWXAOCQHZADU-LJQANCHMSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1ccccc1C1(CNc2nc(N)c3ccccc3[nH+]2)CCOCC1 ZINC000301871748 1026972506 /nfs/dbraw/zinc/97/25/06/1026972506.db2.gz IZFBINXEERNVJH-UHFFFAOYSA-N 1 2 348.450 3.681 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(F)c(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000301882297 1026978887 /nfs/dbraw/zinc/97/88/87/1026978887.db2.gz IQICLHNOCCJJBA-QGZVFWFLSA-N 1 2 329.419 3.934 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1-n1cccn1 ZINC000301892829 1026981995 /nfs/dbraw/zinc/98/19/95/1026981995.db2.gz MMYFHRCBGRXABD-CYBMUJFWSA-N 1 2 330.395 3.571 20 0 EHADLO COc1ccc(C)cc1CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301893440 1026982852 /nfs/dbraw/zinc/98/28/52/1026982852.db2.gz OZUWLBIYIDYDSV-UHFFFAOYSA-N 1 2 339.443 3.553 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCOc2ccccc21 ZINC000301895483 1026983583 /nfs/dbraw/zinc/98/35/83/1026983583.db2.gz PYABALKFUIITQW-CYBMUJFWSA-N 1 2 337.427 3.560 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC1C[C@H](C)O[C@@H](C)C1 ZINC000301912237 1026992674 /nfs/dbraw/zinc/99/26/74/1026992674.db2.gz BYDQXZZAMMCVTA-STQMWFEESA-N 1 2 328.412 3.779 20 0 EHADLO O=C(CCCc1csc2ccccc12)NCCNc1cccc[nH+]1 ZINC000531516379 1026998615 /nfs/dbraw/zinc/99/86/15/1026998615.db2.gz JBTWFRXLAILQEV-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCOc1ccccc1Cl ZINC000301943045 1027002117 /nfs/dbraw/zinc/00/21/17/1027002117.db2.gz VWUVIEBDZLKBHB-UHFFFAOYSA-N 1 2 345.834 3.726 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123147518 1027002443 /nfs/dbraw/zinc/00/24/43/1027002443.db2.gz ZBZMEEKIOVGPNJ-KDOFPFPSSA-N 1 2 347.409 3.594 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)Cc1ccccn1 ZINC000301978799 1027013699 /nfs/dbraw/zinc/01/36/99/1027013699.db2.gz GYJCNDRXEWXMFJ-UHFFFAOYSA-N 1 2 335.407 3.751 20 0 EHADLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)sc1C ZINC000531534863 1027014592 /nfs/dbraw/zinc/01/45/92/1027014592.db2.gz IKZOSCFNLOWDQJ-LBPRGKRZSA-N 1 2 337.439 3.921 20 0 EHADLO c1cn(-c2ccccc2CNc2ncnc3sc4c(c32)CCC4)c[nH+]1 ZINC000301985116 1027015176 /nfs/dbraw/zinc/01/51/76/1027015176.db2.gz JKJMQHLEVODACW-UHFFFAOYSA-N 1 2 347.447 3.978 20 0 EHADLO Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC000301994837 1027017591 /nfs/dbraw/zinc/01/75/91/1027017591.db2.gz OWYICEURCVFKSL-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000248405130 1027029804 /nfs/dbraw/zinc/02/98/04/1027029804.db2.gz ALVAVRDBNYMVPF-HHXXYDBFSA-N 1 2 338.455 3.592 20 0 EHADLO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(NC2CC2)[nH+]cn1 ZINC000665696256 1027052413 /nfs/dbraw/zinc/05/24/13/1027052413.db2.gz CABVWFFUUVACAN-OXQOHEQNSA-N 1 2 338.455 3.655 20 0 EHADLO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(NC2CC2)nc[nH+]1 ZINC000665696256 1027052423 /nfs/dbraw/zinc/05/24/23/1027052423.db2.gz CABVWFFUUVACAN-OXQOHEQNSA-N 1 2 338.455 3.655 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c2c([nH+]1)CCCC2 ZINC000302103560 1027053178 /nfs/dbraw/zinc/05/31/78/1027053178.db2.gz QWYXEVKNPXVDLA-YJYMSZOUSA-N 1 2 341.430 3.769 20 0 EHADLO CCN(CC)c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000342788611 1027059251 /nfs/dbraw/zinc/05/92/51/1027059251.db2.gz XEFRJCKRHSIZMA-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO c1cn(Cc2ccc(CNc3noc(-c4ccccc4)n3)cc2)c[nH+]1 ZINC000302135677 1027064155 /nfs/dbraw/zinc/06/41/55/1027064155.db2.gz ZXCMDEHNVGODGK-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1F ZINC000123279872 1027083334 /nfs/dbraw/zinc/08/33/34/1027083334.db2.gz FLYBPFXNPWGFDM-CJNGLKHVSA-N 1 2 346.377 3.533 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccnc1 ZINC000125629283 1027101586 /nfs/dbraw/zinc/10/15/86/1027101586.db2.gz BCPGHEPEMQPZRW-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccnc1 ZINC000125629283 1027101596 /nfs/dbraw/zinc/10/15/96/1027101596.db2.gz BCPGHEPEMQPZRW-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO CC(C)Cc1nsc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000302250423 1027109479 /nfs/dbraw/zinc/10/94/79/1027109479.db2.gz WMYSLQBHJPJMJU-UHFFFAOYSA-N 1 2 327.457 3.594 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 ZINC000125710433 1027115763 /nfs/dbraw/zinc/11/57/63/1027115763.db2.gz SNRKMCMYUJVWIQ-VOTSOKGWSA-N 1 2 339.420 3.529 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 ZINC000125710433 1027115769 /nfs/dbraw/zinc/11/57/69/1027115769.db2.gz SNRKMCMYUJVWIQ-VOTSOKGWSA-N 1 2 339.420 3.529 20 0 EHADLO CO[C@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)COCc1ccccc1 ZINC000664235919 1027130280 /nfs/dbraw/zinc/13/02/80/1027130280.db2.gz LAGZPHDPUUCRJN-HXUWFJFHSA-N 1 2 341.455 3.696 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1cccc(O)c1)[C@@H](C)c1ccc(F)cc1 ZINC000531645605 1027137528 /nfs/dbraw/zinc/13/75/28/1027137528.db2.gz QEPPESXTMFHGBA-HNNXBMFYSA-N 1 2 344.430 3.573 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1cccc(O)c1)[C@@H](C)c1ccc(F)cc1 ZINC000531645605 1027137532 /nfs/dbraw/zinc/13/75/32/1027137532.db2.gz QEPPESXTMFHGBA-HNNXBMFYSA-N 1 2 344.430 3.573 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)s2)CC12CCCCC2 ZINC000414425842 1027160567 /nfs/dbraw/zinc/16/05/67/1027160567.db2.gz BAFMMUMAXMADDZ-CQSZACIVSA-N 1 2 341.542 3.944 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CC12CCCCC2 ZINC000414425842 1027160576 /nfs/dbraw/zinc/16/05/76/1027160576.db2.gz BAFMMUMAXMADDZ-CQSZACIVSA-N 1 2 341.542 3.944 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)s2)CC12CCCCC2 ZINC000414425841 1027161660 /nfs/dbraw/zinc/16/16/60/1027161660.db2.gz BAFMMUMAXMADDZ-AWEZNQCLSA-N 1 2 341.542 3.944 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CC12CCCCC2 ZINC000414425841 1027161670 /nfs/dbraw/zinc/16/16/70/1027161670.db2.gz BAFMMUMAXMADDZ-AWEZNQCLSA-N 1 2 341.542 3.944 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)s1 ZINC000075745131 1027165755 /nfs/dbraw/zinc/16/57/55/1027165755.db2.gz OIHLXUVDZZOMBL-SNVBAGLBSA-N 1 2 331.363 3.881 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)s1 ZINC000075745131 1027165765 /nfs/dbraw/zinc/16/57/65/1027165765.db2.gz OIHLXUVDZZOMBL-SNVBAGLBSA-N 1 2 331.363 3.881 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551783 1027167605 /nfs/dbraw/zinc/16/76/05/1027167605.db2.gz YNTGOSYGRPCMOM-LBPRGKRZSA-N 1 2 328.803 3.564 20 0 EHADLO O=C(CSc1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553105 1027167703 /nfs/dbraw/zinc/16/77/03/1027167703.db2.gz HUUKGNGEQLKLPK-GFCCVEGCSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+]2CCC3(C2)OCCO3)oc1-c1ccc(Cl)cc1 ZINC000126180027 1027171884 /nfs/dbraw/zinc/17/18/84/1027171884.db2.gz GEAYQSQBCZAJPU-CYBMUJFWSA-N 1 2 348.830 3.813 20 0 EHADLO Cc1nc([C@@H](C)[N@H+]2CCC3(C2)OCCO3)oc1-c1ccc(Cl)cc1 ZINC000126180027 1027171891 /nfs/dbraw/zinc/17/18/91/1027171891.db2.gz GEAYQSQBCZAJPU-CYBMUJFWSA-N 1 2 348.830 3.813 20 0 EHADLO COc1cccc2c(NCc3ccc([S@](C)=O)cc3)cc[nH+]c12 ZINC000302522732 1027178567 /nfs/dbraw/zinc/17/85/67/1027178567.db2.gz JFKGGGDJTKILSL-QHCPKHFHSA-N 1 2 326.421 3.593 20 0 EHADLO COc1cccc2c(N3CC[C@]4(C3)OCc3ccccc34)cc[nH+]c12 ZINC000302567423 1027199509 /nfs/dbraw/zinc/19/95/09/1027199509.db2.gz XEUJPEZGNAUGGI-OAQYLSRUSA-N 1 2 332.403 3.879 20 0 EHADLO COc1cccc(F)c1CNc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001167607059 1027202770 /nfs/dbraw/zinc/20/27/70/1027202770.db2.gz NIEYVQVYVUHENW-UHFFFAOYSA-N 1 2 346.402 3.726 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915382 1027209005 /nfs/dbraw/zinc/20/90/05/1027209005.db2.gz QCVNBBUFKWYICL-ICSRJNTNSA-N 1 2 341.499 3.959 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915382 1027209012 /nfs/dbraw/zinc/20/90/12/1027209012.db2.gz QCVNBBUFKWYICL-ICSRJNTNSA-N 1 2 341.499 3.959 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000513712169 1027211611 /nfs/dbraw/zinc/21/16/11/1027211611.db2.gz AAICUUAOTSMPTQ-UHFFFAOYSA-N 1 2 325.239 3.904 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071508 1027233946 /nfs/dbraw/zinc/23/39/46/1027233946.db2.gz QDMJEBBPBGBBEI-CVEARBPZSA-N 1 2 331.485 3.766 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071508 1027233963 /nfs/dbraw/zinc/23/39/63/1027233963.db2.gz QDMJEBBPBGBBEI-CVEARBPZSA-N 1 2 331.485 3.766 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2ccccc2O)CC1 ZINC000302706935 1027249508 /nfs/dbraw/zinc/24/95/08/1027249508.db2.gz KEUOJGHKGQVZDK-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N(C)CC(=O)Nc1ccccc1 ZINC000302750592 1027272243 /nfs/dbraw/zinc/27/22/43/1027272243.db2.gz UHJDHXRWMSHULK-UHFFFAOYSA-N 1 2 335.407 3.627 20 0 EHADLO Cc1c[nH+]c(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342807889 1027276577 /nfs/dbraw/zinc/27/65/77/1027276577.db2.gz POERPPMNJWDNAF-HNNXBMFYSA-N 1 2 340.254 3.609 20 0 EHADLO FC(F)(F)Oc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302781673 1027288663 /nfs/dbraw/zinc/28/86/63/1027288663.db2.gz JOTNOCKDOPBLEV-UHFFFAOYSA-N 1 2 338.333 3.588 20 0 EHADLO FC(F)(F)Oc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302781673 1027288685 /nfs/dbraw/zinc/28/86/85/1027288685.db2.gz JOTNOCKDOPBLEV-UHFFFAOYSA-N 1 2 338.333 3.588 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000123453027 1027313882 /nfs/dbraw/zinc/31/38/82/1027313882.db2.gz ZFSNFLCWLBXHIO-HKUYNNGSSA-N 1 2 347.422 3.637 20 0 EHADLO c1ccc(-c2cccc(CNc3cc(N4CCCC4)nc[nH+]3)c2)nc1 ZINC000302828102 1027314729 /nfs/dbraw/zinc/31/47/29/1027314729.db2.gz IJOJUFIOHJUKMU-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO c1ccc(-c2cccc(CNc3cc(N4CCCC4)[nH+]cn3)c2)nc1 ZINC000302828102 1027314747 /nfs/dbraw/zinc/31/47/47/1027314747.db2.gz IJOJUFIOHJUKMU-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO CC1(C)C[C@@H](Nc2cc(N3CCSCC3)nc[nH+]2)c2ccccc21 ZINC000302847467 1027322448 /nfs/dbraw/zinc/32/24/48/1027322448.db2.gz OLYPWRGGYBPQJW-MRXNPFEDSA-N 1 2 340.496 3.864 20 0 EHADLO CC1(C)C[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)c2ccccc21 ZINC000302847467 1027322466 /nfs/dbraw/zinc/32/24/66/1027322466.db2.gz OLYPWRGGYBPQJW-MRXNPFEDSA-N 1 2 340.496 3.864 20 0 EHADLO O=C(NCCC1=CCCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605947 1027328220 /nfs/dbraw/zinc/32/82/20/1027328220.db2.gz ZIUMSVCQLBBFHP-UHFFFAOYSA-N 1 2 338.455 3.621 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)c2ncnn21 ZINC000657570390 1027335963 /nfs/dbraw/zinc/33/59/63/1027335963.db2.gz SEHCLDUESQZOJE-NHYWBVRUSA-N 1 2 328.803 3.987 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000302904758 1027356817 /nfs/dbraw/zinc/35/68/17/1027356817.db2.gz SDSXHKKPEMCXAF-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000302904758 1027356831 /nfs/dbraw/zinc/35/68/31/1027356831.db2.gz SDSXHKKPEMCXAF-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO O=C(Nc1ccccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045951279 1027369944 /nfs/dbraw/zinc/36/99/44/1027369944.db2.gz VGBBCVWAFLIXAA-UHFFFAOYSA-N 1 2 330.819 3.526 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989836 1027372970 /nfs/dbraw/zinc/37/29/70/1027372970.db2.gz NPTVSIROKPWICG-CQSZACIVSA-N 1 2 348.434 3.932 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989836 1027372988 /nfs/dbraw/zinc/37/29/88/1027372988.db2.gz NPTVSIROKPWICG-CQSZACIVSA-N 1 2 348.434 3.932 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045975585 1027375296 /nfs/dbraw/zinc/37/52/96/1027375296.db2.gz HNPLCAXCDQFLFM-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)ccn1 ZINC000453121550 1027398313 /nfs/dbraw/zinc/39/83/13/1027398313.db2.gz XNNOBOQEKAKOML-ZOBUZTSGSA-N 1 2 328.460 3.887 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000434118788 1027399878 /nfs/dbraw/zinc/39/98/78/1027399878.db2.gz KQHRUQMOLOVBDI-UHFFFAOYSA-N 1 2 345.362 3.514 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128466023 1027440673 /nfs/dbraw/zinc/44/06/73/1027440673.db2.gz IMGFGEMNPKCIED-MRXNPFEDSA-N 1 2 341.411 3.554 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414448661 1027443593 /nfs/dbraw/zinc/44/35/93/1027443593.db2.gz SLBPUKMLFBMHNO-CQSZACIVSA-N 1 2 337.510 3.523 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414448661 1027443597 /nfs/dbraw/zinc/44/35/97/1027443597.db2.gz SLBPUKMLFBMHNO-CQSZACIVSA-N 1 2 337.510 3.523 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ncc(-c2ccccc2)n1C ZINC000453138238 1027444034 /nfs/dbraw/zinc/44/40/34/1027444034.db2.gz HGMJVYVTOGWBHY-KDOFPFPSSA-N 1 2 339.414 3.610 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]Cc2ccc3occc3c2)cs1)C1CC1 ZINC000657586422 1027506308 /nfs/dbraw/zinc/50/63/08/1027506308.db2.gz ZKQPCJWYPWXVMB-UHFFFAOYSA-N 1 2 341.436 3.694 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273623626 1027523018 /nfs/dbraw/zinc/52/30/18/1027523018.db2.gz NWADOAMBRYCHLV-ZDUSSCGKSA-N 1 2 330.457 3.684 20 0 EHADLO C[C@H](Cc1ccccc1F)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078132778 1027533689 /nfs/dbraw/zinc/53/36/89/1027533689.db2.gz AVPDYOKFMADECM-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459316480 1027569947 /nfs/dbraw/zinc/56/99/47/1027569947.db2.gz YXOZMGFWLBBTOQ-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459317344 1027575799 /nfs/dbraw/zinc/57/57/99/1027575799.db2.gz BWEFQOYFJSTJME-UHFFFAOYSA-N 1 2 335.451 3.757 20 0 EHADLO Cc1cccc([C@H](c2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500565 1027601940 /nfs/dbraw/zinc/60/19/40/1027601940.db2.gz SUBHXJMLPOWUPC-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1cccc([C@H](c2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500565 1027601951 /nfs/dbraw/zinc/60/19/51/1027601951.db2.gz SUBHXJMLPOWUPC-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(Cc3cc4ccccc4s3)no2)C1 ZINC000420500015 1027603508 /nfs/dbraw/zinc/60/35/08/1027603508.db2.gz FAVPITBAUGKSTM-OAHLLOKOSA-N 1 2 343.452 3.657 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(Cc3cc4ccccc4s3)no2)C1 ZINC000420500015 1027603513 /nfs/dbraw/zinc/60/35/13/1027603513.db2.gz FAVPITBAUGKSTM-OAHLLOKOSA-N 1 2 343.452 3.657 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc([C@@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505808 1027608834 /nfs/dbraw/zinc/60/88/34/1027608834.db2.gz QEOVRXOZXKEZOD-KBPBESRZSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc([C@@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505808 1027608839 /nfs/dbraw/zinc/60/88/39/1027608839.db2.gz QEOVRXOZXKEZOD-KBPBESRZSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000501899190 1027627354 /nfs/dbraw/zinc/62/73/54/1027627354.db2.gz KJUXMVWGRVORAS-UHFFFAOYSA-N 1 2 335.451 3.782 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2c(Br)cccc12)c1cnn(C)c1 ZINC000078306753 1027644144 /nfs/dbraw/zinc/64/41/44/1027644144.db2.gz SPWZBAZJFDLWRI-SNVBAGLBSA-N 1 2 331.217 3.904 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cc(NC3CC3)[nH+]cn2)cc1 ZINC000664305437 1027652170 /nfs/dbraw/zinc/65/21/70/1027652170.db2.gz SLRMLEFVCYHNJI-BYICEURKSA-N 1 2 336.439 3.630 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cc(NC3CC3)nc[nH+]2)cc1 ZINC000664305437 1027652182 /nfs/dbraw/zinc/65/21/82/1027652182.db2.gz SLRMLEFVCYHNJI-BYICEURKSA-N 1 2 336.439 3.630 20 0 EHADLO Cc1cc(CNC(=O)N2CCSC[C@@H]2c2ccccc2)cc(C)[nH+]1 ZINC000422215363 1027654158 /nfs/dbraw/zinc/65/41/58/1027654158.db2.gz ULUHRPOOZDAZOU-GOSISDBHSA-N 1 2 341.480 3.698 20 0 EHADLO Cc1cc(CNC(=O)N2CCSC[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC000422215365 1027654641 /nfs/dbraw/zinc/65/46/41/1027654641.db2.gz ULUHRPOOZDAZOU-SFHVURJKSA-N 1 2 341.480 3.698 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130740748 1027700551 /nfs/dbraw/zinc/70/05/51/1027700551.db2.gz XAJXHRBPASECBS-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc(C)[nH+]1 ZINC000420753944 1027709600 /nfs/dbraw/zinc/70/96/00/1027709600.db2.gz AREOTLXPZHMEBR-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc(C)[nH+]1 ZINC000420785922 1027730334 /nfs/dbraw/zinc/73/03/34/1027730334.db2.gz BAOWCKXMUXYUKP-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO Cc1ccc(OCCCCNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420784852 1027730405 /nfs/dbraw/zinc/73/04/05/1027730405.db2.gz AITLKBYEJFPUMQ-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO O=C(NCCC1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000503368024 1027745533 /nfs/dbraw/zinc/74/55/33/1027745533.db2.gz MTKDFTNQJBCCIH-UHFFFAOYSA-N 1 2 335.517 3.546 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)cc1 ZINC000131169669 1027746002 /nfs/dbraw/zinc/74/60/02/1027746002.db2.gz ZBOZQWDIOLYQBR-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCCOc3c(F)cccc32)cc(C)[nH+]1 ZINC000420821762 1027758032 /nfs/dbraw/zinc/75/80/32/1027758032.db2.gz JBTXDEWXCDCYIQ-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000420844346 1027786932 /nfs/dbraw/zinc/78/69/32/1027786932.db2.gz GPTJRZXRNJTBPE-AWEZNQCLSA-N 1 2 346.500 3.928 20 0 EHADLO Cc1cc(CNC(=O)N2CCSC3(CCCCC3)C2)cc(C)[nH+]1 ZINC000420846510 1027789551 /nfs/dbraw/zinc/78/95/51/1027789551.db2.gz JJVBRNAQZYGNBW-UHFFFAOYSA-N 1 2 333.501 3.660 20 0 EHADLO CCS[C@H]1CCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000503442570 1027802971 /nfs/dbraw/zinc/80/29/71/1027802971.db2.gz LGHMKKCTVLKGKC-CVEARBPZSA-N 1 2 331.485 3.733 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](CC(F)F)c2ccccc2)c[nH+]1 ZINC000420859865 1027805164 /nfs/dbraw/zinc/80/51/64/1027805164.db2.gz LNEMTRQYMZZXHB-MRXNPFEDSA-N 1 2 333.382 3.894 20 0 EHADLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cccc(O)c1Br ZINC000459350384 1027828313 /nfs/dbraw/zinc/82/83/13/1027828313.db2.gz CBSUVOKJHHYCIN-CQSZACIVSA-N 1 2 348.240 3.995 20 0 EHADLO Cn1cc(Cl)c(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000420910294 1027854513 /nfs/dbraw/zinc/85/45/13/1027854513.db2.gz ZSCFDRJCDPVOGD-UHFFFAOYSA-N 1 2 328.847 3.934 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342881135 1027869305 /nfs/dbraw/zinc/86/93/05/1027869305.db2.gz JNQZFFABQCBBEI-UHFFFAOYSA-N 1 2 344.418 3.603 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000420925348 1027872130 /nfs/dbraw/zinc/87/21/30/1027872130.db2.gz LJOYQXWXVPMGRP-GXTWGEPZSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1csc(C2CC2)n1 ZINC000420925348 1027872152 /nfs/dbraw/zinc/87/21/52/1027872152.db2.gz LJOYQXWXVPMGRP-GXTWGEPZSA-N 1 2 336.501 3.963 20 0 EHADLO Cn1ncc(C[N@H+](Cc2ccccc2F)C2CC2)c1C(F)(F)F ZINC000132294493 1027904052 /nfs/dbraw/zinc/90/40/52/1027904052.db2.gz UJPJYAOUUWCSEA-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cn1ncc(C[N@@H+](Cc2ccccc2F)C2CC2)c1C(F)(F)F ZINC000132294493 1027904066 /nfs/dbraw/zinc/90/40/66/1027904066.db2.gz UJPJYAOUUWCSEA-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO COc1cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)ccc1F ZINC000444468763 1027924612 /nfs/dbraw/zinc/92/46/12/1027924612.db2.gz RJDIYZAMQDYAHZ-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@H](C)C3)c2C1 ZINC000444471219 1027940000 /nfs/dbraw/zinc/94/00/00/1027940000.db2.gz XSOPCPPQLSQPKS-LSDHHAIUSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@H](C)C3)c2C1 ZINC000444471219 1027940013 /nfs/dbraw/zinc/94/00/13/1027940013.db2.gz XSOPCPPQLSQPKS-LSDHHAIUSA-N 1 2 337.467 3.531 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000657665659 1027951704 /nfs/dbraw/zinc/95/17/04/1027951704.db2.gz ULHSNEXZKJNACQ-UHFFFAOYSA-N 1 2 343.324 3.625 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000132732311 1027959139 /nfs/dbraw/zinc/95/91/39/1027959139.db2.gz ZLRXEUKPXNUJLI-NFOMZHRRSA-N 1 2 339.480 3.581 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000132732311 1027959153 /nfs/dbraw/zinc/95/91/53/1027959153.db2.gz ZLRXEUKPXNUJLI-NFOMZHRRSA-N 1 2 339.480 3.581 20 0 EHADLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132754123 1027962595 /nfs/dbraw/zinc/96/25/95/1027962595.db2.gz NRFDYTPZQCXPHX-MRXNPFEDSA-N 1 2 339.439 3.543 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)c[nH+]1 ZINC000536620594 1027965275 /nfs/dbraw/zinc/96/52/75/1027965275.db2.gz AINDSRVHFWZONF-XHDPSFHLSA-N 1 2 333.794 3.590 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000133033876 1027993288 /nfs/dbraw/zinc/99/32/88/1027993288.db2.gz PWXKMZQVOJQGRA-DOTOQJQBSA-N 1 2 339.345 3.893 20 0 EHADLO CCc1sc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1C ZINC000277937498 1028028400 /nfs/dbraw/zinc/02/84/00/1028028400.db2.gz DTWBYFXTVOMVAD-QWHCGFSZSA-N 1 2 333.457 3.595 20 0 EHADLO CCc1sc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1C ZINC000277937498 1028028422 /nfs/dbraw/zinc/02/84/22/1028028422.db2.gz DTWBYFXTVOMVAD-QWHCGFSZSA-N 1 2 333.457 3.595 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc(C)[nH+]1 ZINC000421093987 1028080262 /nfs/dbraw/zinc/08/02/62/1028080262.db2.gz WOYBKVSIFQNDQP-UHFFFAOYSA-N 1 2 327.384 3.527 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503729000 1028105403 /nfs/dbraw/zinc/10/54/03/1028105403.db2.gz PVSVPSZBIYDIKL-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503729000 1028105413 /nfs/dbraw/zinc/10/54/13/1028105413.db2.gz PVSVPSZBIYDIKL-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCCc1cccc(F)c1)c1cccs1 ZINC000444634120 1028106086 /nfs/dbraw/zinc/10/60/86/1028106086.db2.gz XQHSMUIPKRPHQQ-KRWDZBQOSA-N 1 2 347.455 3.794 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCCc1cccc(F)c1)c1cccs1 ZINC000444634120 1028106095 /nfs/dbraw/zinc/10/60/95/1028106095.db2.gz XQHSMUIPKRPHQQ-KRWDZBQOSA-N 1 2 347.455 3.794 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000444689091 1028160779 /nfs/dbraw/zinc/16/07/79/1028160779.db2.gz FEQRTXIJUNTFHY-RYUDHWBXSA-N 1 2 335.370 3.578 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000444689091 1028160793 /nfs/dbraw/zinc/16/07/93/1028160793.db2.gz FEQRTXIJUNTFHY-RYUDHWBXSA-N 1 2 335.370 3.578 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689437 1028164507 /nfs/dbraw/zinc/16/45/07/1028164507.db2.gz FWLPTJGKAZFRFC-OAHLLOKOSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689437 1028164513 /nfs/dbraw/zinc/16/45/13/1028164513.db2.gz FWLPTJGKAZFRFC-OAHLLOKOSA-N 1 2 346.421 3.752 20 0 EHADLO Cn1c2ccc(C[N@@H+]3CCc4[nH]c5ccccc5c4C3)cc2sc1=O ZINC000194979401 1028166938 /nfs/dbraw/zinc/16/69/38/1028166938.db2.gz VPVPDIFKOWHHHW-UHFFFAOYSA-N 1 2 349.459 3.640 20 0 EHADLO Cn1c2ccc(C[N@H+]3CCc4[nH]c5ccccc5c4C3)cc2sc1=O ZINC000194979401 1028166949 /nfs/dbraw/zinc/16/69/49/1028166949.db2.gz VPVPDIFKOWHHHW-UHFFFAOYSA-N 1 2 349.459 3.640 20 0 EHADLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000246293449 1028170602 /nfs/dbraw/zinc/17/06/02/1028170602.db2.gz BPUKXGWPGIEEEW-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000246293449 1028170613 /nfs/dbraw/zinc/17/06/13/1028170613.db2.gz BPUKXGWPGIEEEW-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000455436092 1028171933 /nfs/dbraw/zinc/17/19/33/1028171933.db2.gz OJPRFCKGKXDDDM-UHFFFAOYSA-N 1 2 329.448 3.520 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246301577 1028184710 /nfs/dbraw/zinc/18/47/10/1028184710.db2.gz BZLYVRMYXGZMES-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246301577 1028184750 /nfs/dbraw/zinc/18/47/50/1028184750.db2.gz BZLYVRMYXGZMES-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000153560455 1028187589 /nfs/dbraw/zinc/18/75/89/1028187589.db2.gz LBHZDVYBDVPPSL-CXAGYDPISA-N 1 2 345.830 3.659 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCN2CCc3ccccc32)c(C)[nH+]1 ZINC000455461180 1028190803 /nfs/dbraw/zinc/19/08/03/1028190803.db2.gz BCCFUWOHDAXEDK-UHFFFAOYSA-N 1 2 338.455 3.581 20 0 EHADLO CCc1nc(CSCc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000421201872 1028194519 /nfs/dbraw/zinc/19/45/19/1028194519.db2.gz AGFGBRLQXMDVDM-UHFFFAOYSA-N 1 2 348.537 3.971 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c(C)[nH+]1 ZINC000455471789 1028202890 /nfs/dbraw/zinc/20/28/90/1028202890.db2.gz BIZRHCPDFRAAOX-MAUKXSAKSA-N 1 2 339.439 3.863 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135580112 1028204398 /nfs/dbraw/zinc/20/43/98/1028204398.db2.gz DMPPJTKKQBOOSV-HNNXBMFYSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135580112 1028204412 /nfs/dbraw/zinc/20/44/12/1028204412.db2.gz DMPPJTKKQBOOSV-HNNXBMFYSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCOCc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455479374 1028214610 /nfs/dbraw/zinc/21/46/10/1028214610.db2.gz GPBQXDUWVXRPMK-UHFFFAOYSA-N 1 2 347.846 3.999 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(-c2ccccc2)cc1 ZINC000135945874 1028224580 /nfs/dbraw/zinc/22/45/80/1028224580.db2.gz VFGHRDUXNOSNQX-OXJNMPFZSA-N 1 2 345.446 3.990 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)[nH+]1 ZINC000455493701 1028225259 /nfs/dbraw/zinc/22/52/59/1028225259.db2.gz MHUMSKZMJWLRFY-RZFZLAGVSA-N 1 2 345.468 3.627 20 0 EHADLO CCCOc1ccc(C(=O)CCC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000135992108 1028226836 /nfs/dbraw/zinc/22/68/36/1028226836.db2.gz NMSPOUFHQHKYDN-UHFFFAOYSA-N 1 2 326.396 3.780 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136244377 1028242265 /nfs/dbraw/zinc/24/22/65/1028242265.db2.gz TZCHJFPUYGGHTC-SJORKVTESA-N 1 2 334.508 3.743 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808114 1028251656 /nfs/dbraw/zinc/25/16/56/1028251656.db2.gz IHSGSLSIKWVRKU-KRWDZBQOSA-N 1 2 337.467 3.691 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808114 1028251673 /nfs/dbraw/zinc/25/16/73/1028251673.db2.gz IHSGSLSIKWVRKU-KRWDZBQOSA-N 1 2 337.467 3.691 20 0 EHADLO Cc1cc(C)c(NC(=O)N(CCc2nccs2)C(C)C)c(C)[nH+]1 ZINC000455492767 1028264039 /nfs/dbraw/zinc/26/40/39/1028264039.db2.gz LKHYYVCMKJUAGQ-UHFFFAOYSA-N 1 2 332.473 3.948 20 0 EHADLO CCCc1nc(C)c(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000428377571 1028266708 /nfs/dbraw/zinc/26/67/08/1028266708.db2.gz HMUQIBFBPLHNDL-INIZCTEOSA-N 1 2 345.462 3.953 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000428377571 1028266724 /nfs/dbraw/zinc/26/67/24/1028266724.db2.gz HMUQIBFBPLHNDL-INIZCTEOSA-N 1 2 345.462 3.953 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455505524 1028281887 /nfs/dbraw/zinc/28/18/87/1028281887.db2.gz XJPFNEQOARAJIN-FXAWDEMLSA-N 1 2 339.439 3.867 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000455505518 1028282823 /nfs/dbraw/zinc/28/28/23/1028282823.db2.gz XILPDYCFCMBGTD-OAHLLOKOSA-N 1 2 349.475 3.885 20 0 EHADLO CCc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)no1 ZINC000888222460 1028284212 /nfs/dbraw/zinc/28/42/12/1028284212.db2.gz KNLVKRMLGKEAQH-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)nn1C ZINC000421344377 1028288473 /nfs/dbraw/zinc/28/84/73/1028288473.db2.gz SUKIZDGTHHVGQA-UHFFFAOYSA-N 1 2 333.863 3.993 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCc3c[nH]c4ccccc34)ccc2[nH+]1 ZINC000523424621 1028293700 /nfs/dbraw/zinc/29/37/00/1028293700.db2.gz FJOWKOJGAGRLDK-UHFFFAOYSA-N 1 2 347.422 3.878 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681201 1028309385 /nfs/dbraw/zinc/30/93/85/1028309385.db2.gz WUZYFNQOPFINOU-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681201 1028309401 /nfs/dbraw/zinc/30/94/01/1028309401.db2.gz WUZYFNQOPFINOU-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO COc1ccc(C)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056526928 1028327356 /nfs/dbraw/zinc/32/73/56/1028327356.db2.gz TWGCLJNSFKVPMM-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000504058892 1028369165 /nfs/dbraw/zinc/36/91/65/1028369165.db2.gz XTWMQBHBKBNUSH-KRWDZBQOSA-N 1 2 342.487 3.947 20 0 EHADLO CCn1cnnc1C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000459377012 1028373882 /nfs/dbraw/zinc/37/38/82/1028373882.db2.gz OZPUQCOFPUVDOY-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475615873 1028378428 /nfs/dbraw/zinc/37/84/28/1028378428.db2.gz MALSZDVRVWIWNH-RISCZKNCSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475615873 1028378445 /nfs/dbraw/zinc/37/84/45/1028378445.db2.gz MALSZDVRVWIWNH-RISCZKNCSA-N 1 2 335.391 3.537 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153624654 1028394168 /nfs/dbraw/zinc/39/41/68/1028394168.db2.gz FZUJUEUTWUXXMM-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO CCCOC1(CNC(=O)NCc2c[nH+]c(C)cc2C)CCCCC1 ZINC000455552867 1028417251 /nfs/dbraw/zinc/41/72/51/1028417251.db2.gz HCYPXGNEKWNAJV-UHFFFAOYSA-N 1 2 333.476 3.627 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000069070295 1028417918 /nfs/dbraw/zinc/41/79/18/1028417918.db2.gz OKBHMFSXGAQWEY-MAUKXSAKSA-N 1 2 326.440 3.808 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000069070295 1028417924 /nfs/dbraw/zinc/41/79/24/1028417924.db2.gz OKBHMFSXGAQWEY-MAUKXSAKSA-N 1 2 326.440 3.808 20 0 EHADLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cc(F)ccc1F ZINC000455556319 1028447911 /nfs/dbraw/zinc/44/79/11/1028447911.db2.gz KKWRHEMGOLBTOG-QGZVFWFLSA-N 1 2 333.382 3.927 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)cc1F ZINC000472273964 1028451463 /nfs/dbraw/zinc/45/14/63/1028451463.db2.gz JDPYGSGPDKMFQO-UHFFFAOYSA-N 1 2 326.371 3.951 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)cc1F ZINC000472273964 1028451471 /nfs/dbraw/zinc/45/14/71/1028451471.db2.gz JDPYGSGPDKMFQO-UHFFFAOYSA-N 1 2 326.371 3.951 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccsc2C(F)(F)F)CC1)C(F)(F)F ZINC000628186058 1028457109 /nfs/dbraw/zinc/45/71/09/1028457109.db2.gz WJAVCLYCWHWWQO-JTQLQIEISA-N 1 2 347.324 3.902 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@@H](C)O1 ZINC000523609279 1028466320 /nfs/dbraw/zinc/46/63/20/1028466320.db2.gz DKIOQORKKMLLNG-CHWSQXEVSA-N 1 2 333.453 3.687 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@@H](C)O1 ZINC000523609279 1028466328 /nfs/dbraw/zinc/46/63/28/1028466328.db2.gz DKIOQORKKMLLNG-CHWSQXEVSA-N 1 2 333.453 3.687 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000445016632 1028469366 /nfs/dbraw/zinc/46/93/66/1028469366.db2.gz UEIYXSJGJQEVAW-UHFFFAOYSA-N 1 2 348.834 3.756 20 0 EHADLO Cc1ccc(C[C@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455564791 1028482776 /nfs/dbraw/zinc/48/27/76/1028482776.db2.gz VOTCMEOZTDWJEM-HXUWFJFHSA-N 1 2 337.467 3.924 20 0 EHADLO COC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(Cl)cc1 ZINC000194075855 1028488898 /nfs/dbraw/zinc/48/88/98/1028488898.db2.gz DGTISUBQCDWCNV-HZPDHXFCSA-N 1 2 348.878 3.867 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000421543469 1028520141 /nfs/dbraw/zinc/52/01/41/1028520141.db2.gz OOOIPGLRNPZNGG-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO CC(C)(CCCc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000523663003 1028522783 /nfs/dbraw/zinc/52/27/83/1028522783.db2.gz PYBASTUPBMQKOB-UHFFFAOYSA-N 1 2 327.472 3.829 20 0 EHADLO c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000236575082 1028551821 /nfs/dbraw/zinc/55/18/21/1028551821.db2.gz RCUJZHOWQJDPOD-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO CCCc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cnn1-c1ccccc1 ZINC000421574431 1028567512 /nfs/dbraw/zinc/56/75/12/1028567512.db2.gz GDNIKOKISXFDLF-UHFFFAOYSA-N 1 2 348.450 3.767 20 0 EHADLO CCOc1c(Cl)cccc1CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575337 1028569258 /nfs/dbraw/zinc/56/92/58/1028569258.db2.gz JSHQSCUDBZEHJH-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO CC[C@@H](C)n1ncc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1C1CC1 ZINC000421578891 1028572586 /nfs/dbraw/zinc/57/25/86/1028572586.db2.gz SFHSMFVZEAXCDF-CQSZACIVSA-N 1 2 326.444 3.673 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C)cc(Br)c3)ccn12 ZINC001269547550 1028575890 /nfs/dbraw/zinc/57/58/90/1028575890.db2.gz OQGDNCMWUBDWKI-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)c2ccc(Br)cc2)cc(C)[nH+]1 ZINC000421579714 1028576102 /nfs/dbraw/zinc/57/61/02/1028576102.db2.gz UXCPMRYSVRMIPS-ZDUSSCGKSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cnn1C1CCCCC1 ZINC000421580965 1028576127 /nfs/dbraw/zinc/57/61/27/1028576127.db2.gz XIJYFSFJHXGTJC-UHFFFAOYSA-N 1 2 326.444 3.639 20 0 EHADLO CCOc1c(Cl)cc(CN2CCc3c([nH+]cn3CC)C2)cc1OC ZINC000897337243 1028589621 /nfs/dbraw/zinc/58/96/21/1028589621.db2.gz XTHCHFBGOPFPCR-UHFFFAOYSA-N 1 2 349.862 3.522 20 0 EHADLO [NH3+][C@H](C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c(F)cccc1F ZINC000423785090 1028611419 /nfs/dbraw/zinc/61/14/19/1028611419.db2.gz SMPBNVRMGICUSJ-DFHBCGBQSA-N 1 2 348.368 3.556 20 0 EHADLO Cc1ncc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000195243687 1028621424 /nfs/dbraw/zinc/62/14/24/1028621424.db2.gz OZPVOZORCQNTCN-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434157618 1028659705 /nfs/dbraw/zinc/65/97/05/1028659705.db2.gz PCPCGEFQUDMQFS-MOPGFXCFSA-N 1 2 345.487 3.993 20 0 EHADLO Cc1ncsc1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000237665030 1028660418 /nfs/dbraw/zinc/66/04/18/1028660418.db2.gz QVNBHKZKBYMRKL-GOSISDBHSA-N 1 2 337.448 3.921 20 0 EHADLO Cn1c[nH+]cc1CNc1ccnn1Cc1c(Cl)cccc1Cl ZINC000237945168 1028669958 /nfs/dbraw/zinc/66/99/58/1028669958.db2.gz OWLYYIUKBHHQQH-UHFFFAOYSA-N 1 2 336.226 3.584 20 0 EHADLO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000237986437 1028672605 /nfs/dbraw/zinc/67/26/05/1028672605.db2.gz VFTCKKSERRNGQX-FQEVSTJZSA-N 1 2 332.403 3.862 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ccncc2Cl)C[C@@H]2CCCO2)c1 ZINC000075648543 1028732340 /nfs/dbraw/zinc/73/23/40/1028732340.db2.gz HCPLBFRYMJWKAX-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2ccncc2Cl)C[C@@H]2CCCO2)c1 ZINC000075648543 1028732348 /nfs/dbraw/zinc/73/23/48/1028732348.db2.gz HCPLBFRYMJWKAX-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000246932976 1028747697 /nfs/dbraw/zinc/74/76/97/1028747697.db2.gz TVJQBRSFFQXITO-CAGXHZNZSA-N 1 2 343.858 3.612 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000247211137 1028761123 /nfs/dbraw/zinc/76/11/23/1028761123.db2.gz CJZDOYDELVDQMZ-IOASZLSFSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000247211137 1028761142 /nfs/dbraw/zinc/76/11/42/1028761142.db2.gz CJZDOYDELVDQMZ-IOASZLSFSA-N 1 2 333.407 3.889 20 0 EHADLO O=c1nc(C[N@@H+]2CCC3(CCC3)C2)[nH]c2scc(-c3ccco3)c21 ZINC000122878125 1028762477 /nfs/dbraw/zinc/76/24/77/1028762477.db2.gz JPSQIKBADNVSBG-UHFFFAOYSA-N 1 2 341.436 3.621 20 0 EHADLO O=c1nc(C[N@H+]2CCC3(CCC3)C2)[nH]c2scc(-c3ccco3)c21 ZINC000122878125 1028762493 /nfs/dbraw/zinc/76/24/93/1028762493.db2.gz JPSQIKBADNVSBG-UHFFFAOYSA-N 1 2 341.436 3.621 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C(C)(C)C)cn2)c1C ZINC000421760624 1028762546 /nfs/dbraw/zinc/76/25/46/1028762546.db2.gz XLCGRBARARSSRT-UHFFFAOYSA-N 1 2 341.455 3.672 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000245531263 1028772109 /nfs/dbraw/zinc/77/21/09/1028772109.db2.gz GXZVMRWFBXFIKZ-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000245531263 1028772119 /nfs/dbraw/zinc/77/21/19/1028772119.db2.gz GXZVMRWFBXFIKZ-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278071944 1028772611 /nfs/dbraw/zinc/77/26/11/1028772611.db2.gz VYXMXJQUKRKMQP-NVXWUHKLSA-N 1 2 349.434 3.736 20 0 EHADLO CC1(C)CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000454327409 1028777925 /nfs/dbraw/zinc/77/79/25/1028777925.db2.gz GUDSAUKXUYYPJN-MRXNPFEDSA-N 1 2 344.503 3.566 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000025414206 1028812613 /nfs/dbraw/zinc/81/26/13/1028812613.db2.gz KMUWMEBBBBRFOX-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000025414206 1028812624 /nfs/dbraw/zinc/81/26/24/1028812624.db2.gz KMUWMEBBBBRFOX-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(CCC(F)(F)F)cc1 ZINC000532777294 1028822573 /nfs/dbraw/zinc/82/25/73/1028822573.db2.gz HLMBZLNXSYUIHZ-UHFFFAOYSA-N 1 2 339.361 3.588 20 0 EHADLO Oc1ccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000445479705 1028837382 /nfs/dbraw/zinc/83/73/82/1028837382.db2.gz KFWQEUUAKKYOGU-FPYGCLRLSA-N 1 2 348.337 3.937 20 0 EHADLO C[C@H]1CCN(C(=O)c2occc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123197509 1028840457 /nfs/dbraw/zinc/84/04/57/1028840457.db2.gz TXXCCOFMUZMICC-MAUKXSAKSA-N 1 2 335.407 3.866 20 0 EHADLO CC(C)CC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000445493666 1028850739 /nfs/dbraw/zinc/85/07/39/1028850739.db2.gz VKFXRUQHMADFRC-UHFFFAOYSA-N 1 2 346.519 3.668 20 0 EHADLO CC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000248387909 1028877014 /nfs/dbraw/zinc/87/70/14/1028877014.db2.gz CHYWKGPEVRBYAB-WBAXXEDZSA-N 1 2 329.419 3.626 20 0 EHADLO FC(F)(F)Oc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414557056 1028902305 /nfs/dbraw/zinc/90/23/05/1028902305.db2.gz PBSRUCPJMHHIQB-UHFFFAOYSA-N 1 2 329.347 3.604 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1Cl ZINC000245654040 1028978372 /nfs/dbraw/zinc/97/83/72/1028978372.db2.gz DAUJWVXISAIADC-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1Cl ZINC000245654040 1028978383 /nfs/dbraw/zinc/97/83/83/1028978383.db2.gz DAUJWVXISAIADC-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2ccc(F)cc2Cl)c[nH+]1 ZINC000454490261 1028982853 /nfs/dbraw/zinc/98/28/53/1028982853.db2.gz GZAUMKMHEYMZHN-UHFFFAOYSA-N 1 2 335.810 3.533 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076725624 1029040957 /nfs/dbraw/zinc/04/09/57/1029040957.db2.gz ZQNBCVUUJCAWJY-ZBFHGGJFSA-N 1 2 331.485 3.927 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076725624 1029040972 /nfs/dbraw/zinc/04/09/72/1029040972.db2.gz ZQNBCVUUJCAWJY-ZBFHGGJFSA-N 1 2 331.485 3.927 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1Br)C[C@@H](O)C(F)(F)F ZINC000428414432 1029042852 /nfs/dbraw/zinc/04/28/52/1029042852.db2.gz PNZKUWYMVRSORE-GFCCVEGCSA-N 1 2 340.183 3.503 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1Br)C[C@@H](O)C(F)(F)F ZINC000428414432 1029042868 /nfs/dbraw/zinc/04/28/68/1029042868.db2.gz PNZKUWYMVRSORE-GFCCVEGCSA-N 1 2 340.183 3.503 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c[nH+]1 ZINC000454572448 1029050236 /nfs/dbraw/zinc/05/02/36/1029050236.db2.gz HGMLCDWYVKRTSV-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c[nH+]1 ZINC000454573382 1029052001 /nfs/dbraw/zinc/05/20/01/1029052001.db2.gz GPAZCHVFGVMQMF-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454561621 1029069772 /nfs/dbraw/zinc/06/97/72/1029069772.db2.gz RYQVPCDBZUVSER-AWEZNQCLSA-N 1 2 341.455 3.700 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000154243685 1029072004 /nfs/dbraw/zinc/07/20/04/1029072004.db2.gz SBPHWWWRSYWJQJ-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000154243685 1029072019 /nfs/dbraw/zinc/07/20/19/1029072019.db2.gz SBPHWWWRSYWJQJ-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000154290708 1029086767 /nfs/dbraw/zinc/08/67/67/1029086767.db2.gz RHIPOSVFHBTDFK-OALUTQOASA-N 1 2 337.467 3.883 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532968917 1029114379 /nfs/dbraw/zinc/11/43/79/1029114379.db2.gz VTJMTMMTVUEZSW-GRYCIOLGSA-N 1 2 342.892 3.501 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532968917 1029114385 /nfs/dbraw/zinc/11/43/85/1029114385.db2.gz VTJMTMMTVUEZSW-GRYCIOLGSA-N 1 2 342.892 3.501 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000532969526 1029116085 /nfs/dbraw/zinc/11/60/85/1029116085.db2.gz XRAQOKZCMBNCOG-NSHDSACASA-N 1 2 330.375 3.840 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000532969526 1029116095 /nfs/dbraw/zinc/11/60/95/1029116095.db2.gz XRAQOKZCMBNCOG-NSHDSACASA-N 1 2 330.375 3.840 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000271703612 1029131121 /nfs/dbraw/zinc/13/11/21/1029131121.db2.gz SYNSIMNWORIJIF-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO CCC(CC)(NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000524372117 1029135714 /nfs/dbraw/zinc/13/57/14/1029135714.db2.gz KKXUUNSMSVYQGX-CQSZACIVSA-N 1 2 348.878 3.940 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000664395004 1029137878 /nfs/dbraw/zinc/13/78/78/1029137878.db2.gz QBGZODRWTFNILY-QGZVFWFLSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245733634 1029195776 /nfs/dbraw/zinc/19/57/76/1029195776.db2.gz JZXMKFXIYSKPPG-SMDDNHRTSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245733634 1029195781 /nfs/dbraw/zinc/19/57/81/1029195781.db2.gz JZXMKFXIYSKPPG-SMDDNHRTSA-N 1 2 332.398 3.901 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)C2CCCC2)c(C)c1 ZINC000533084325 1029262710 /nfs/dbraw/zinc/26/27/10/1029262710.db2.gz ZLROFPKTRVRQLP-IBGZPJMESA-N 1 2 340.471 3.825 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@H]2C)c(C)c1 ZINC000533084529 1029264323 /nfs/dbraw/zinc/26/43/23/1029264323.db2.gz PLATTWXUWDUZGN-IEBWSBKVSA-N 1 2 340.471 3.825 20 0 EHADLO c1cn2c(cccc2CNc2ccccc2OC[C@@H]2CCCCO2)[nH+]1 ZINC000272020092 1029274077 /nfs/dbraw/zinc/27/40/77/1029274077.db2.gz XHRSJCVKMYKLAS-KRWDZBQOSA-N 1 2 337.423 3.894 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC=CCC2)c(C)c1 ZINC000533077696 1029281134 /nfs/dbraw/zinc/28/11/34/1029281134.db2.gz HZOTZBCRIVIILF-IEBWSBKVSA-N 1 2 338.455 3.649 20 0 EHADLO CC(C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCC1 ZINC000454761656 1029286509 /nfs/dbraw/zinc/28/65/09/1029286509.db2.gz PEHIFPBXCGMCOM-UHFFFAOYSA-N 1 2 342.443 3.662 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000161780301 1029287396 /nfs/dbraw/zinc/28/73/96/1029287396.db2.gz AFNXSLDQMMTVJO-ZDUSSCGKSA-N 1 2 330.428 3.952 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000161780301 1029287413 /nfs/dbraw/zinc/28/74/13/1029287413.db2.gz AFNXSLDQMMTVJO-ZDUSSCGKSA-N 1 2 330.428 3.952 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+](C)[C@H](CO)c3ccccc3)cs2)o1 ZINC000343123597 1029316240 /nfs/dbraw/zinc/31/62/40/1029316240.db2.gz UVKBNAWAWUIWQL-MRXNPFEDSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+](C)[C@H](CO)c3ccccc3)cs2)o1 ZINC000343123597 1029316252 /nfs/dbraw/zinc/31/62/52/1029316252.db2.gz UVKBNAWAWUIWQL-MRXNPFEDSA-N 1 2 328.437 3.877 20 0 EHADLO Oc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1Br ZINC000316201489 1029346218 /nfs/dbraw/zinc/34/62/18/1029346218.db2.gz VCNDSSYEEISDKX-UHFFFAOYSA-N 1 2 338.167 3.929 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000524621849 1029355727 /nfs/dbraw/zinc/35/57/27/1029355727.db2.gz QIFNOSJJLSVOTF-YYIAUSFCSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(Cl)nc1 ZINC000272294255 1029401636 /nfs/dbraw/zinc/40/16/36/1029401636.db2.gz SKURJPIRDRADKN-MGPQQGTHSA-N 1 2 346.862 3.917 20 0 EHADLO CCCCC1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000535975418 1029409460 /nfs/dbraw/zinc/40/94/60/1029409460.db2.gz UOVPGESHZUFSCR-CGZBRXJRSA-N 1 2 332.492 3.668 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3C[C@H]3C3CCC3)c2C1 ZINC000424980580 1029476712 /nfs/dbraw/zinc/47/67/12/1029476712.db2.gz KZNNIPGYAFEMOJ-OXJNMPFZSA-N 1 2 349.478 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3C[C@H]3C3CCC3)c2C1 ZINC000424980580 1029476719 /nfs/dbraw/zinc/47/67/19/1029476719.db2.gz KZNNIPGYAFEMOJ-OXJNMPFZSA-N 1 2 349.478 3.531 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000524756709 1029487300 /nfs/dbraw/zinc/48/73/00/1029487300.db2.gz JLQDQHAMKVPBOK-AWEZNQCLSA-N 1 2 330.447 3.678 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000524756709 1029487310 /nfs/dbraw/zinc/48/73/10/1029487310.db2.gz JLQDQHAMKVPBOK-AWEZNQCLSA-N 1 2 330.447 3.678 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3CCC[C@H]3C3CC3)c(=S)o2)cc1 ZINC000728559141 1029497722 /nfs/dbraw/zinc/49/77/22/1029497722.db2.gz AHBXIJWXPSNXHA-INIZCTEOSA-N 1 2 345.468 3.925 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3CCC[C@H]3C3CC3)c(=S)o2)cc1 ZINC000728559141 1029497731 /nfs/dbraw/zinc/49/77/31/1029497731.db2.gz AHBXIJWXPSNXHA-INIZCTEOSA-N 1 2 345.468 3.925 20 0 EHADLO COCc1nsc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000272548390 1029506957 /nfs/dbraw/zinc/50/69/57/1029506957.db2.gz SSIRQVWKWUDAMJ-LBPRGKRZSA-N 1 2 333.461 3.510 20 0 EHADLO C[C@@H](CNC(=O)CCc1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000155374152 1029520317 /nfs/dbraw/zinc/52/03/17/1029520317.db2.gz VQPDVYDRCAJUOH-LBPRGKRZSA-N 1 2 340.254 3.575 20 0 EHADLO FC(F)(F)[C@@H]1CC[C@@H](C[NH+](Cc2ccco2)Cc2ccco2)O1 ZINC000929091189 1029545089 /nfs/dbraw/zinc/54/50/89/1029545089.db2.gz IKURHXNKFUBSPJ-GJZGRUSLSA-N 1 2 329.318 3.985 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000524859732 1029555992 /nfs/dbraw/zinc/55/59/92/1029555992.db2.gz VOYFCYSPTPLNEV-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H](C2CC2)C1 ZINC000343162707 1029559474 /nfs/dbraw/zinc/55/94/74/1029559474.db2.gz IETXKOPQSMHJRB-INIZCTEOSA-N 1 2 348.450 3.866 20 0 EHADLO C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000343162781 1029559948 /nfs/dbraw/zinc/55/99/48/1029559948.db2.gz RCOIGJIYAIAJST-OXQOHEQNSA-N 1 2 331.419 3.765 20 0 EHADLO CC[C@H]1C[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272674755 1029560161 /nfs/dbraw/zinc/56/01/61/1029560161.db2.gz AKMRXVBKZNKQAX-HIFRSBDPSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(C)o1 ZINC000272678533 1029561347 /nfs/dbraw/zinc/56/13/47/1029561347.db2.gz RMMGAACMTVAOPL-KRWDZBQOSA-N 1 2 339.395 3.520 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(C)o1 ZINC000272678533 1029561357 /nfs/dbraw/zinc/56/13/57/1029561357.db2.gz RMMGAACMTVAOPL-KRWDZBQOSA-N 1 2 339.395 3.520 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4ccccc4s3)n2)C1 ZINC000272701963 1029572888 /nfs/dbraw/zinc/57/28/88/1029572888.db2.gz WJSWPIKOBQHZMC-CYBMUJFWSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4ccccc4s3)n2)C1 ZINC000272701963 1029572893 /nfs/dbraw/zinc/57/28/93/1029572893.db2.gz WJSWPIKOBQHZMC-CYBMUJFWSA-N 1 2 329.425 3.733 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000533290515 1029583796 /nfs/dbraw/zinc/58/37/96/1029583796.db2.gz WSBMBXRGQWHTAO-AVGNSLFASA-N 1 2 326.893 3.801 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000155720556 1029631714 /nfs/dbraw/zinc/63/17/14/1029631714.db2.gz VFGZHRHZRBTJSD-YLJYHZDGSA-N 1 2 337.467 3.763 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2C1 ZINC000125944156 1029637773 /nfs/dbraw/zinc/63/77/73/1029637773.db2.gz BOTQGCFKSNJTRC-OFQRWUPVSA-N 1 2 343.496 3.793 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000583331128 1029663543 /nfs/dbraw/zinc/66/35/43/1029663543.db2.gz UPZGLKUTHOILMQ-ZYSHUDEJSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000583331128 1029663546 /nfs/dbraw/zinc/66/35/46/1029663546.db2.gz UPZGLKUTHOILMQ-ZYSHUDEJSA-N 1 2 325.456 3.691 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1SCCc2ccccc21 ZINC000079602769 1029677536 /nfs/dbraw/zinc/67/75/36/1029677536.db2.gz NLQMLCLNRWYOOY-SFHVURJKSA-N 1 2 335.432 3.841 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nc(-c2ccncc2)n1C1CC1 ZINC000728562832 1029692282 /nfs/dbraw/zinc/69/22/82/1029692282.db2.gz OLTHOIXTTWSWOD-MRXNPFEDSA-N 1 2 341.484 3.643 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nc(-c2ccncc2)n1C1CC1 ZINC000728562832 1029692289 /nfs/dbraw/zinc/69/22/89/1029692289.db2.gz OLTHOIXTTWSWOD-MRXNPFEDSA-N 1 2 341.484 3.643 20 0 EHADLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n(CC2CCOCC2)n1 ZINC001213088082 1029700532 /nfs/dbraw/zinc/70/05/32/1029700532.db2.gz OODLXVDZLIRYPV-UHFFFAOYSA-N 1 2 337.427 3.752 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126371798 1029711771 /nfs/dbraw/zinc/71/17/71/1029711771.db2.gz ZKLUZWOUYRGXCN-CEJLMLBOSA-N 1 2 329.831 3.659 20 0 EHADLO OCC[N@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21 ZINC000114722765 1029712573 /nfs/dbraw/zinc/71/25/73/1029712573.db2.gz WVUBNIUMRMOMMD-LJQANCHMSA-N 1 2 349.434 3.609 20 0 EHADLO OCC[N@@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21 ZINC000114722765 1029712581 /nfs/dbraw/zinc/71/25/81/1029712581.db2.gz WVUBNIUMRMOMMD-LJQANCHMSA-N 1 2 349.434 3.609 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155996529 1029719314 /nfs/dbraw/zinc/71/93/14/1029719314.db2.gz BFLDRAJIYQROPP-PMACEKPBSA-N 1 2 345.446 3.546 20 0 EHADLO CC(C)COc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000156033470 1029727136 /nfs/dbraw/zinc/72/71/36/1029727136.db2.gz AVQNPPRTJGURCG-CYBMUJFWSA-N 1 2 347.846 3.772 20 0 EHADLO CN(C)c1ccc(NCc2ccc(C(=O)OC(C)(C)C)cc2)c[nH+]1 ZINC000508682727 1029730913 /nfs/dbraw/zinc/73/09/13/1029730913.db2.gz WYAJSLIVSVYJRE-UHFFFAOYSA-N 1 2 327.428 3.715 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000079852550 1029731842 /nfs/dbraw/zinc/73/18/42/1029731842.db2.gz UCBPTXQNRKSZJC-UHFFFAOYSA-N 1 2 329.363 3.719 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)o1 ZINC000428450279 1029742875 /nfs/dbraw/zinc/74/28/75/1029742875.db2.gz VIQWJLBLTRSVCQ-GOSISDBHSA-N 1 2 328.456 3.769 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)o1 ZINC000428450279 1029742876 /nfs/dbraw/zinc/74/28/76/1029742876.db2.gz VIQWJLBLTRSVCQ-GOSISDBHSA-N 1 2 328.456 3.769 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126614624 1029754132 /nfs/dbraw/zinc/75/41/32/1029754132.db2.gz CPAMHALUTSDHON-PBHICJAKSA-N 1 2 345.874 3.924 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126614869 1029754392 /nfs/dbraw/zinc/75/43/92/1029754392.db2.gz CPAMHALUTSDHON-YOEHRIQHSA-N 1 2 345.874 3.924 20 0 EHADLO FC(F)(F)c1csc(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000536020971 1029807646 /nfs/dbraw/zinc/80/76/46/1029807646.db2.gz WYGDAZCCSKIFFB-UHFFFAOYSA-N 1 2 333.404 3.546 20 0 EHADLO Cc1cnc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cn1 ZINC000428455671 1029821091 /nfs/dbraw/zinc/82/10/91/1029821091.db2.gz TWFCTBVEOBEMKD-CVEARBPZSA-N 1 2 344.890 3.878 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)nc(N)c2c1C ZINC000093174504 1029824275 /nfs/dbraw/zinc/82/42/75/1029824275.db2.gz NFMVZSBAPFGTDQ-GFCCVEGCSA-N 1 2 328.441 3.820 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H]3c3ccco3)nc(N)c2c1C ZINC000093174504 1029824285 /nfs/dbraw/zinc/82/42/85/1029824285.db2.gz NFMVZSBAPFGTDQ-GFCCVEGCSA-N 1 2 328.441 3.820 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc3sc4ccccc4n23)c1 ZINC000533807136 1029855880 /nfs/dbraw/zinc/85/58/80/1029855880.db2.gz ROYLCWWERFAYMS-UHFFFAOYSA-N 1 2 342.449 3.948 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000565035902 1029857691 /nfs/dbraw/zinc/85/76/91/1029857691.db2.gz QSEGLPAWIZBITO-ROUUACIJSA-N 1 2 329.488 3.797 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000533814513 1029860887 /nfs/dbraw/zinc/86/08/87/1029860887.db2.gz ACZPJAUTWZJMIS-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162755117 1029873001 /nfs/dbraw/zinc/87/30/01/1029873001.db2.gz KLXAYNFPSAPCLY-NYYWCZLTSA-N 1 2 346.390 3.687 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000533840554 1029883289 /nfs/dbraw/zinc/88/32/89/1029883289.db2.gz CAHTXGYSBGEBSY-UHFFFAOYSA-N 1 2 333.391 3.684 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(OC(F)F)cc1 ZINC000162789679 1029886596 /nfs/dbraw/zinc/88/65/96/1029886596.db2.gz IGWBKLWCTDVSTN-UHFFFAOYSA-N 1 2 329.306 3.930 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481754522 1029923911 /nfs/dbraw/zinc/92/39/11/1029923911.db2.gz XHCDWPRAURQJRU-UHFFFAOYSA-N 1 2 338.476 3.894 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481754522 1029923927 /nfs/dbraw/zinc/92/39/27/1029923927.db2.gz XHCDWPRAURQJRU-UHFFFAOYSA-N 1 2 338.476 3.894 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccncn1 ZINC000453221620 1029934063 /nfs/dbraw/zinc/93/40/63/1029934063.db2.gz PTTJIUBJVYZSKL-XPTSAGLGSA-N 1 2 345.752 3.533 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000120212661 1029946613 /nfs/dbraw/zinc/94/66/13/1029946613.db2.gz MGYNOIMCZBEKHD-GOSISDBHSA-N 1 2 330.497 3.981 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000120212661 1029946624 /nfs/dbraw/zinc/94/66/24/1029946624.db2.gz MGYNOIMCZBEKHD-GOSISDBHSA-N 1 2 330.497 3.981 20 0 EHADLO CCCC(CCC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000509637871 1029955652 /nfs/dbraw/zinc/95/56/52/1029955652.db2.gz RHPKRLHZLDBZQH-UHFFFAOYSA-N 1 2 331.504 3.589 20 0 EHADLO Cc1cccc([C@H]2CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)c1 ZINC000583529581 1030043441 /nfs/dbraw/zinc/04/34/41/1030043441.db2.gz PHMKXOOTLLLNEU-HNNXBMFYSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)c1 ZINC000583529581 1030043456 /nfs/dbraw/zinc/04/34/56/1030043456.db2.gz PHMKXOOTLLLNEU-HNNXBMFYSA-N 1 2 330.378 3.701 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000531942188 1030059186 /nfs/dbraw/zinc/05/91/86/1030059186.db2.gz JOJNXUZYYUNZQN-AZUAARDMSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc4ccccc4c3)[nH+]c12 ZINC000525728543 1030059860 /nfs/dbraw/zinc/05/98/60/1030059860.db2.gz TWBILUIUSXVQPT-UHFFFAOYSA-N 1 2 329.403 3.655 20 0 EHADLO CN(Cc1ccccc1)c1ccc([NH2+]C2CCS(=O)CC2)cc1 ZINC000892342328 1030064576 /nfs/dbraw/zinc/06/45/76/1030064576.db2.gz LJMOICMJJIVFDP-UHFFFAOYSA-N 1 2 328.481 3.646 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000120600577 1030069767 /nfs/dbraw/zinc/06/97/67/1030069767.db2.gz FJRKZBKBBVJPHR-KRWDZBQOSA-N 1 2 338.455 3.607 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1OC(F)F ZINC000453316128 1030092024 /nfs/dbraw/zinc/09/20/24/1030092024.db2.gz HVQIHQWZOVRTLP-VIFPVBQESA-N 1 2 345.777 3.534 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1OC(F)F ZINC000453333231 1030113251 /nfs/dbraw/zinc/11/32/51/1030113251.db2.gz BKLCOUISMAFHGK-GBIKHYSHSA-N 1 2 325.334 3.980 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000525782717 1030117529 /nfs/dbraw/zinc/11/75/29/1030117529.db2.gz BMNQHQNBBVYLBG-DLBZAZTESA-N 1 2 342.458 3.874 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000525782717 1030117538 /nfs/dbraw/zinc/11/75/38/1030117538.db2.gz BMNQHQNBBVYLBG-DLBZAZTESA-N 1 2 342.458 3.874 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(F)cc1Cl ZINC000156919440 1030133565 /nfs/dbraw/zinc/13/35/65/1030133565.db2.gz AYICLGZNJWVSHL-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900142074 1030140548 /nfs/dbraw/zinc/14/05/48/1030140548.db2.gz SDXYPKPQAAYFSC-VQIMIIECSA-N 1 2 340.471 3.646 20 0 EHADLO COCC[N@H+](Cc1ccsc1C(=O)OC)[C@@H](C)c1ccccc1 ZINC000447374141 1030144898 /nfs/dbraw/zinc/14/48/98/1030144898.db2.gz NKYFLUWBJHAWLJ-AWEZNQCLSA-N 1 2 333.453 3.744 20 0 EHADLO COCC[N@@H+](Cc1ccsc1C(=O)OC)[C@@H](C)c1ccccc1 ZINC000447374141 1030144906 /nfs/dbraw/zinc/14/49/06/1030144906.db2.gz NKYFLUWBJHAWLJ-AWEZNQCLSA-N 1 2 333.453 3.744 20 0 EHADLO Cc1cc2[nH]c(C[NH+]3CCN(c4ncccc4F)CC3)cc2c(C)c1 ZINC000482012239 1030161467 /nfs/dbraw/zinc/16/14/67/1030161467.db2.gz WCVLDITUIBNZBK-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO CC[C@@H](C[N@H+](C)Cc1nnc(C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000428481872 1030171513 /nfs/dbraw/zinc/17/15/13/1030171513.db2.gz NPADDKWPQFHNSG-NSHDSACASA-N 1 2 343.258 3.709 20 0 EHADLO CC[C@@H](C[N@@H+](C)Cc1nnc(C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000428481872 1030171521 /nfs/dbraw/zinc/17/15/21/1030171521.db2.gz NPADDKWPQFHNSG-NSHDSACASA-N 1 2 343.258 3.709 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H](C)C1 ZINC000121104608 1030183130 /nfs/dbraw/zinc/18/31/30/1030183130.db2.gz PVMGUFFQXPIWPL-DLBZAZTESA-N 1 2 344.503 3.650 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000128481647 1030191583 /nfs/dbraw/zinc/19/15/83/1030191583.db2.gz FDNLXHFNPGUDJK-UONOGXRCSA-N 1 2 331.485 3.965 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000583596590 1030232254 /nfs/dbraw/zinc/23/22/54/1030232254.db2.gz SURNSXXRLXYROW-GOSISDBHSA-N 1 2 325.456 3.655 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000583594179 1030236602 /nfs/dbraw/zinc/23/66/02/1030236602.db2.gz LALAUIDYGKQUFL-QGZVFWFLSA-N 1 2 326.375 3.992 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000583606021 1030266306 /nfs/dbraw/zinc/26/63/06/1030266306.db2.gz BAZTXFTZCDCZSV-MRXNPFEDSA-N 1 2 337.830 3.507 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000482211281 1030267235 /nfs/dbraw/zinc/26/72/35/1030267235.db2.gz NNNJUQQHVIXTPL-UHFFFAOYSA-N 1 2 325.456 3.540 20 0 EHADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168344670 1030269808 /nfs/dbraw/zinc/26/98/08/1030269808.db2.gz KKDHKLAKINXYTG-PZJKJEQHSA-N 1 2 339.838 3.952 20 0 EHADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168344670 1030269830 /nfs/dbraw/zinc/26/98/30/1030269830.db2.gz KKDHKLAKINXYTG-PZJKJEQHSA-N 1 2 339.838 3.952 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1ccc(Cl)cc1 ZINC000647301567 1030319957 /nfs/dbraw/zinc/31/99/57/1030319957.db2.gz CQNZSCAXENAWON-UGSOOPFHSA-N 1 2 333.863 3.911 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091990300 1030357279 /nfs/dbraw/zinc/35/72/79/1030357279.db2.gz SSMHXYGGAGMYCM-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091990300 1030357294 /nfs/dbraw/zinc/35/72/94/1030357294.db2.gz SSMHXYGGAGMYCM-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccn(C2CCCCC2)n1 ZINC000526080251 1030403949 /nfs/dbraw/zinc/40/39/49/1030403949.db2.gz IYTKILALEAJPAL-UHFFFAOYSA-N 1 2 335.411 3.826 20 0 EHADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000453615397 1030404803 /nfs/dbraw/zinc/40/48/03/1030404803.db2.gz QOEWAQIUENVDAE-VIFPVBQESA-N 1 2 344.267 3.875 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@@H](CC)c3ccc(F)cc3F)CC2)cn1 ZINC000447725772 1030437518 /nfs/dbraw/zinc/43/75/18/1030437518.db2.gz DOAJEIOOYVUVPA-IBGZPJMESA-N 1 2 346.425 3.531 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000121946262 1030443352 /nfs/dbraw/zinc/44/33/52/1030443352.db2.gz LWLGUIFSAJETAF-MRXNPFEDSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000121946262 1030443360 /nfs/dbraw/zinc/44/33/60/1030443360.db2.gz LWLGUIFSAJETAF-MRXNPFEDSA-N 1 2 342.464 3.732 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)o2)C[C@]2(CCCOC2)O1 ZINC000482460616 1030443596 /nfs/dbraw/zinc/44/35/96/1030443596.db2.gz YIOAKHKQCUBTBK-JXFKEZNVSA-N 1 2 343.423 3.842 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)o2)C[C@]2(CCCOC2)O1 ZINC000482460616 1030443610 /nfs/dbraw/zinc/44/36/10/1030443610.db2.gz YIOAKHKQCUBTBK-JXFKEZNVSA-N 1 2 343.423 3.842 20 0 EHADLO Fc1ccc(OC(F)F)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000657782652 1030450836 /nfs/dbraw/zinc/45/08/36/1030450836.db2.gz PSZFIZLNCHPQCO-UHFFFAOYSA-N 1 2 328.359 3.662 20 0 EHADLO CSc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635140858 1030462541 /nfs/dbraw/zinc/46/25/41/1030462541.db2.gz KPAWVWPVLLYFKE-GFCCVEGCSA-N 1 2 329.347 3.737 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@H](c3cccs3)C2)n1-c1ccccc1 ZINC000092594138 1030490845 /nfs/dbraw/zinc/49/08/45/1030490845.db2.gz CLZVDYZJYHGCJT-SFHVURJKSA-N 1 2 339.464 3.816 20 0 EHADLO Cc1cccc(C2=CC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000092821809 1030525308 /nfs/dbraw/zinc/52/53/08/1030525308.db2.gz ZAOXKFGOFIUSPA-UHFFFAOYSA-N 1 2 341.476 3.558 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000092821809 1030525326 /nfs/dbraw/zinc/52/53/26/1030525326.db2.gz ZAOXKFGOFIUSPA-UHFFFAOYSA-N 1 2 341.476 3.558 20 0 EHADLO C[C@@H]1COCC[C@@H]1c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000564522829 1030526339 /nfs/dbraw/zinc/52/63/39/1030526339.db2.gz MLOZEHYJULSAPL-BOPUHXCYSA-N 1 2 336.395 3.566 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C(C)(F)F)c(C)c1 ZINC000343365433 1030532573 /nfs/dbraw/zinc/53/25/73/1030532573.db2.gz BLPDHLCKVSESEA-GDBMZVCRSA-N 1 2 335.398 3.649 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C1CCC1)C1CCC1 ZINC000343371926 1030549359 /nfs/dbraw/zinc/54/93/59/1030549359.db2.gz FBHYXYXKHHBAOQ-UHFFFAOYSA-N 1 2 347.409 3.708 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)s1 ZINC000093104330 1030561735 /nfs/dbraw/zinc/56/17/35/1030561735.db2.gz CZZSKUXUFQWWAQ-MRXNPFEDSA-N 1 2 329.469 3.504 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)s1 ZINC000093104330 1030561739 /nfs/dbraw/zinc/56/17/39/1030561739.db2.gz CZZSKUXUFQWWAQ-MRXNPFEDSA-N 1 2 329.469 3.504 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093217001 1030574452 /nfs/dbraw/zinc/57/44/52/1030574452.db2.gz KMAYHAWFOOCNPV-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093217001 1030574465 /nfs/dbraw/zinc/57/44/65/1030574465.db2.gz KMAYHAWFOOCNPV-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000532348747 1030574878 /nfs/dbraw/zinc/57/48/78/1030574878.db2.gz NTRPJJACQQKOMD-XWTMOSNGSA-N 1 2 332.492 3.835 20 0 EHADLO C=Cn1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)cn1 ZINC000194026007 1030642193 /nfs/dbraw/zinc/64/21/93/1030642193.db2.gz HMYVBZAKPPJGGF-UHFFFAOYSA-N 1 2 338.274 3.972 20 0 EHADLO C=Cn1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)cn1 ZINC000194026007 1030642207 /nfs/dbraw/zinc/64/22/07/1030642207.db2.gz HMYVBZAKPPJGGF-UHFFFAOYSA-N 1 2 338.274 3.972 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)s1 ZINC000657791265 1030670133 /nfs/dbraw/zinc/67/01/33/1030670133.db2.gz CFDXVGVHMTUHLC-AWEZNQCLSA-N 1 2 326.412 3.542 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000343394905 1030671364 /nfs/dbraw/zinc/67/13/64/1030671364.db2.gz ASGMFSYZUNYOQJ-GOSISDBHSA-N 1 2 343.496 3.679 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1 ZINC000093768914 1030671595 /nfs/dbraw/zinc/67/15/95/1030671595.db2.gz AXVNTUOQDLQAKP-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1 ZINC000093768914 1030671607 /nfs/dbraw/zinc/67/16/07/1030671607.db2.gz AXVNTUOQDLQAKP-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO CCc1cnc(CN(C)Cc2c[nH+]c(C)n2-c2ccccc2)s1 ZINC000093807604 1030676751 /nfs/dbraw/zinc/67/67/51/1030676751.db2.gz DTJJPJWDRAVGOO-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO Cc1cccn2c(CN(C)Cc3nc(C(F)(F)F)cs3)c[nH+]c12 ZINC000093814703 1030679828 /nfs/dbraw/zinc/67/98/28/1030679828.db2.gz ZGWPPTVOTVFILX-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000093863907 1030683732 /nfs/dbraw/zinc/68/37/32/1030683732.db2.gz ZUYBYYZIJLEWLU-QGZVFWFLSA-N 1 2 337.471 3.689 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000093863907 1030683738 /nfs/dbraw/zinc/68/37/38/1030683738.db2.gz ZUYBYYZIJLEWLU-QGZVFWFLSA-N 1 2 337.471 3.689 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)C[C@@]2(CCOC2)O1 ZINC000527243641 1030733117 /nfs/dbraw/zinc/73/31/17/1030733117.db2.gz ASDXKAFSLWZIIN-KBXCAEBGSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)C[C@@]2(CCOC2)O1 ZINC000527243641 1030733134 /nfs/dbraw/zinc/73/31/34/1030733134.db2.gz ASDXKAFSLWZIIN-KBXCAEBGSA-N 1 2 336.501 3.571 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000527243933 1030733676 /nfs/dbraw/zinc/73/36/76/1030733676.db2.gz AWMSRNJQFWHHBI-HOTGVXAUSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000527243933 1030733684 /nfs/dbraw/zinc/73/36/84/1030733684.db2.gz AWMSRNJQFWHHBI-HOTGVXAUSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)C[C@]2(CCOC2)O1 ZINC000527243642 1030733832 /nfs/dbraw/zinc/73/38/32/1030733832.db2.gz ASDXKAFSLWZIIN-KDOFPFPSSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)C[C@]2(CCOC2)O1 ZINC000527243642 1030733847 /nfs/dbraw/zinc/73/38/47/1030733847.db2.gz ASDXKAFSLWZIIN-KDOFPFPSSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@H]([NH2+]Cc1cc2cc(Br)ccc2o1)c1nccn1C ZINC000657792959 1030743136 /nfs/dbraw/zinc/74/31/36/1030743136.db2.gz GVYLVAMUXFVJQB-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C(F)F)c1 ZINC000550898837 1030780543 /nfs/dbraw/zinc/78/05/43/1030780543.db2.gz LQLMRBZSKRUHHM-COXVUDFISA-N 1 2 327.415 3.921 20 0 EHADLO O=c1[nH]c(C[NH2+][C@H](c2cccnc2)C2CC2)nc2cc(Cl)ccc21 ZINC000527326120 1030797109 /nfs/dbraw/zinc/79/71/09/1030797109.db2.gz DETQCBXISOTQDI-KRWDZBQOSA-N 1 2 340.814 3.625 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677420 1030814127 /nfs/dbraw/zinc/81/41/27/1030814127.db2.gz YEXFCWPYNYQHIK-ZJUUUORDSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677420 1030814149 /nfs/dbraw/zinc/81/41/49/1030814149.db2.gz YEXFCWPYNYQHIK-ZJUUUORDSA-N 1 2 337.332 3.898 20 0 EHADLO CC(C)c1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000583817076 1030829855 /nfs/dbraw/zinc/82/98/55/1030829855.db2.gz WBMRAWGSFQSCRL-OAHLLOKOSA-N 1 2 337.427 3.782 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C2CC2)C1 ZINC000583821470 1030847994 /nfs/dbraw/zinc/84/79/94/1030847994.db2.gz KVVZSOVGOCEJQY-MDCZIUGASA-N 1 2 337.467 3.834 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C2CC2)C1 ZINC000583821470 1030848009 /nfs/dbraw/zinc/84/80/09/1030848009.db2.gz KVVZSOVGOCEJQY-MDCZIUGASA-N 1 2 337.467 3.834 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c(C)c1 ZINC000527359451 1030850642 /nfs/dbraw/zinc/85/06/42/1030850642.db2.gz SQAREZMMWXKRQY-GOSISDBHSA-N 1 2 325.387 3.745 20 0 EHADLO CC(C)CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000172650732 1030954879 /nfs/dbraw/zinc/95/48/79/1030954879.db2.gz PRVKOYBWIPIIRT-UHFFFAOYSA-N 1 2 328.460 3.507 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000448355638 1030977101 /nfs/dbraw/zinc/97/71/01/1030977101.db2.gz PBWITIBFNCHTAS-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000448355638 1030977113 /nfs/dbraw/zinc/97/71/13/1030977113.db2.gz PBWITIBFNCHTAS-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccc(F)cc1F ZINC000483115214 1030979782 /nfs/dbraw/zinc/97/97/82/1030979782.db2.gz CUPZFKCXVSNDDR-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccc(F)cc1F ZINC000483115214 1030979801 /nfs/dbraw/zinc/97/98/01/1030979801.db2.gz CUPZFKCXVSNDDR-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000098068283 1030996007 /nfs/dbraw/zinc/99/60/07/1030996007.db2.gz OKRPRCVCFBFTKZ-INIZCTEOSA-N 1 2 328.431 3.695 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000098068283 1030996019 /nfs/dbraw/zinc/99/60/19/1030996019.db2.gz OKRPRCVCFBFTKZ-INIZCTEOSA-N 1 2 328.431 3.695 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000483147258 1031002855 /nfs/dbraw/zinc/00/28/55/1031002855.db2.gz RWKUXSTUYGXVHD-QEORTHHSSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000483147258 1031002870 /nfs/dbraw/zinc/00/28/70/1031002870.db2.gz RWKUXSTUYGXVHD-QEORTHHSSA-N 1 2 327.827 3.810 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000448373543 1031008688 /nfs/dbraw/zinc/00/86/88/1031008688.db2.gz QXOKJUFHSYLMFY-HNNXBMFYSA-N 1 2 335.398 3.602 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000448373543 1031008706 /nfs/dbraw/zinc/00/87/06/1031008706.db2.gz QXOKJUFHSYLMFY-HNNXBMFYSA-N 1 2 335.398 3.602 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1 ZINC000583880051 1031025717 /nfs/dbraw/zinc/02/57/17/1031025717.db2.gz LSJZWHPPUNAMNC-AWEZNQCLSA-N 1 2 335.835 3.867 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000080563656 1031057873 /nfs/dbraw/zinc/05/78/73/1031057873.db2.gz SGOMARLGUOYIGR-SJLPKXTDSA-N 1 2 326.444 3.517 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000668227776 1031063485 /nfs/dbraw/zinc/06/34/85/1031063485.db2.gz SNABDJLPDJRTFJ-IAOVAPTHSA-N 1 2 343.496 3.902 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](CC(F)(F)F)C(C)C)C2 ZINC000476907567 1031064494 /nfs/dbraw/zinc/06/44/94/1031064494.db2.gz GTCVWHLGAVLCID-SMDDNHRTSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](CC(F)(F)F)C(C)C)CC2 ZINC000476907567 1031064510 /nfs/dbraw/zinc/06/45/10/1031064510.db2.gz GTCVWHLGAVLCID-SMDDNHRTSA-N 1 2 345.409 3.731 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(C)c1F ZINC000483264333 1031073043 /nfs/dbraw/zinc/07/30/43/1031073043.db2.gz AWDDNNZGVMNWGJ-UHFFFAOYSA-N 1 2 341.430 3.758 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)nn1 ZINC000583898903 1031075511 /nfs/dbraw/zinc/07/55/11/1031075511.db2.gz QIJRYWYVORBXLQ-CQSZACIVSA-N 1 2 336.842 3.859 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)nn1 ZINC000583898903 1031075521 /nfs/dbraw/zinc/07/55/21/1031075521.db2.gz QIJRYWYVORBXLQ-CQSZACIVSA-N 1 2 336.842 3.859 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000760537256 1031107324 /nfs/dbraw/zinc/10/73/24/1031107324.db2.gz IGPKRTUTHGIKEN-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000760537256 1031107330 /nfs/dbraw/zinc/10/73/30/1031107330.db2.gz IGPKRTUTHGIKEN-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000760539085 1031109803 /nfs/dbraw/zinc/10/98/03/1031109803.db2.gz SDQNETWRAUMELH-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000760539085 1031109816 /nfs/dbraw/zinc/10/98/16/1031109816.db2.gz SDQNETWRAUMELH-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000760536515 1031110099 /nfs/dbraw/zinc/11/00/99/1031110099.db2.gz GFSDPCIHRJIBLB-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000760536515 1031110104 /nfs/dbraw/zinc/11/01/04/1031110104.db2.gz GFSDPCIHRJIBLB-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ncc(Br)cc2F)cn1 ZINC000527657743 1031119911 /nfs/dbraw/zinc/11/99/11/1031119911.db2.gz BTMAUEBVMLDIJJ-SNVBAGLBSA-N 1 2 341.228 3.611 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)cc3OC)CCO2)cc1 ZINC000483430934 1031149810 /nfs/dbraw/zinc/14/98/10/1031149810.db2.gz YUJMFWWQWCTKQR-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)cc3OC)CCO2)cc1 ZINC000483430934 1031149820 /nfs/dbraw/zinc/14/98/20/1031149820.db2.gz YUJMFWWQWCTKQR-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cs1 ZINC000173897811 1031154616 /nfs/dbraw/zinc/15/46/16/1031154616.db2.gz DYFPZRSAFRIDAL-QGZVFWFLSA-N 1 2 344.484 3.505 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cs1 ZINC000173897811 1031154629 /nfs/dbraw/zinc/15/46/29/1031154629.db2.gz DYFPZRSAFRIDAL-QGZVFWFLSA-N 1 2 344.484 3.505 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)C2 ZINC000477023141 1031183812 /nfs/dbraw/zinc/18/38/12/1031183812.db2.gz XCQHDIKRIGSYKJ-INIZCTEOSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)C2 ZINC000477023141 1031183820 /nfs/dbraw/zinc/18/38/20/1031183820.db2.gz XCQHDIKRIGSYKJ-INIZCTEOSA-N 1 2 337.467 3.531 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)Cc1ccccc1 ZINC000551304195 1031206117 /nfs/dbraw/zinc/20/61/17/1031206117.db2.gz SYLXVJNDGUBDFM-LJQANCHMSA-N 1 2 338.430 3.892 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)Cc1ccccc1 ZINC000551304195 1031206126 /nfs/dbraw/zinc/20/61/26/1031206126.db2.gz SYLXVJNDGUBDFM-LJQANCHMSA-N 1 2 338.430 3.892 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2ccc(Cl)cc2)c2cn[nH]n2)cc1 ZINC000551306977 1031210248 /nfs/dbraw/zinc/21/02/48/1031210248.db2.gz BSPSPVPXSBFNOH-SFHVURJKSA-N 1 2 344.821 3.909 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2ccc(Cl)cc2)c2c[nH]nn2)cc1 ZINC000551306977 1031210255 /nfs/dbraw/zinc/21/02/55/1031210255.db2.gz BSPSPVPXSBFNOH-SFHVURJKSA-N 1 2 344.821 3.909 20 0 EHADLO Cc1sccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000448561842 1031225149 /nfs/dbraw/zinc/22/51/49/1031225149.db2.gz ARWMZSYVEPYWRO-YVMONPNESA-N 1 2 326.465 3.528 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477064105 1031229875 /nfs/dbraw/zinc/22/98/75/1031229875.db2.gz BATYWVKBTUNGGE-OAHLLOKOSA-N 1 2 338.451 3.752 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477064105 1031229890 /nfs/dbraw/zinc/22/98/90/1031229890.db2.gz BATYWVKBTUNGGE-OAHLLOKOSA-N 1 2 338.451 3.752 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000525678429 1031262877 /nfs/dbraw/zinc/26/28/77/1031262877.db2.gz GNMGQTGMCTWWSE-GOSISDBHSA-N 1 2 347.462 3.909 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000483710912 1031301849 /nfs/dbraw/zinc/30/18/49/1031301849.db2.gz NTARPUNAXDWAJX-WBVHZDCISA-N 1 2 344.503 3.564 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000158398233 1031308392 /nfs/dbraw/zinc/30/83/92/1031308392.db2.gz MLQAZXPOSHNSOP-HNNXBMFYSA-N 1 2 336.867 3.837 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000343537189 1031311658 /nfs/dbraw/zinc/31/16/58/1031311658.db2.gz ICGDDUQUMMVFEO-LVCYWYKZSA-N 1 2 339.483 3.503 20 0 EHADLO C[C@H]1C[N@H+](CCSc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000551423739 1031318213 /nfs/dbraw/zinc/31/82/13/1031318213.db2.gz KHGRBVBZZLXLPP-LBPRGKRZSA-N 1 2 338.860 3.808 20 0 EHADLO C[C@H]1C[N@@H+](CCSc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000551423739 1031318234 /nfs/dbraw/zinc/31/82/34/1031318234.db2.gz KHGRBVBZZLXLPP-LBPRGKRZSA-N 1 2 338.860 3.808 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527869057 1031354831 /nfs/dbraw/zinc/35/48/31/1031354831.db2.gz ZVYNSPBRICYXNK-RDJZCZTQSA-N 1 2 325.456 3.756 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1F ZINC000668283141 1031383966 /nfs/dbraw/zinc/38/39/66/1031383966.db2.gz JWSYTDBEGNNQFW-BMIGLBTASA-N 1 2 343.320 3.778 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152944 1031442358 /nfs/dbraw/zinc/44/23/58/1031442358.db2.gz CLNFWEIPSQQIGV-SWLSCSKDSA-N 1 2 329.893 3.545 20 0 EHADLO CSCC[C@@H]([NH2+]Cc1cc(C)ccc1F)c1nnc2ccccn21 ZINC000116912670 1031473764 /nfs/dbraw/zinc/47/37/64/1031473764.db2.gz BTWCWRRSVCXMSI-MRXNPFEDSA-N 1 2 344.459 3.761 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000347417042 1031495624 /nfs/dbraw/zinc/49/56/24/1031495624.db2.gz DCJOFYXKXHXJCV-INIZCTEOSA-N 1 2 343.496 3.617 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000151501235 1031500203 /nfs/dbraw/zinc/50/02/03/1031500203.db2.gz LEWAKRKCYXIGOM-QAPCUYQASA-N 1 2 343.446 3.878 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000347424020 1031511712 /nfs/dbraw/zinc/51/17/12/1031511712.db2.gz GUAYBCHGDBCVMC-LBPRGKRZSA-N 1 2 343.814 3.840 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)nc3C)n2)ccc1F ZINC000278585763 1031514025 /nfs/dbraw/zinc/51/40/25/1031514025.db2.gz HSLWHZOQJRCERF-GFCCVEGCSA-N 1 2 344.365 3.877 20 0 EHADLO COc1ccc(Cl)cc1C[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083944345 1031536283 /nfs/dbraw/zinc/53/62/83/1031536283.db2.gz FTIQRUOPBHWGLN-HSZRJFAPSA-N 1 2 348.855 3.754 20 0 EHADLO COc1cccc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)n1 ZINC000177644919 1031584312 /nfs/dbraw/zinc/58/43/12/1031584312.db2.gz SYWDBTIWPWUQMY-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1cccc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)n1 ZINC000177644919 1031584321 /nfs/dbraw/zinc/58/43/21/1031584321.db2.gz SYWDBTIWPWUQMY-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000133576975 1031652272 /nfs/dbraw/zinc/65/22/72/1031652272.db2.gz ZOYJXHTVSUYJQU-KRWDZBQOSA-N 1 2 346.450 3.841 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)csc2C1 ZINC000347465183 1031655404 /nfs/dbraw/zinc/65/54/04/1031655404.db2.gz JVKNWELPUIKXLK-UONOGXRCSA-N 1 2 343.496 3.626 20 0 EHADLO C[C@@H](CCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347458027 1031670112 /nfs/dbraw/zinc/67/01/12/1031670112.db2.gz CJTPUOCDTKJFMF-WMZOPIPTSA-N 1 2 325.456 3.710 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000178366770 1031689777 /nfs/dbraw/zinc/68/97/77/1031689777.db2.gz ZSPDVOHLQKQWDP-PMACEKPBSA-N 1 2 341.414 3.907 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)NCc1ccn2cc[nH+]c2c1 ZINC000178391749 1031692464 /nfs/dbraw/zinc/69/24/64/1031692464.db2.gz KKSKOKMGBPFDNP-UHFFFAOYSA-N 1 2 345.855 3.537 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CCCO2 ZINC000178422732 1031698567 /nfs/dbraw/zinc/69/85/67/1031698567.db2.gz UXCHATFNAZVZON-LBPRGKRZSA-N 1 2 339.258 3.909 20 0 EHADLO COc1ccc(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000179099788 1031732822 /nfs/dbraw/zinc/73/28/22/1031732822.db2.gz NGZRAFIPRQZYBY-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO COc1ccc(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000179099788 1031732833 /nfs/dbraw/zinc/73/28/33/1031732833.db2.gz NGZRAFIPRQZYBY-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)[nH]c(C)c1C(C)=O ZINC000085784435 1031766899 /nfs/dbraw/zinc/76/68/99/1031766899.db2.gz PAENUXNNZYHFQR-SFHVURJKSA-N 1 2 338.451 3.890 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)[nH]c(C)c1C(C)=O ZINC000085784435 1031766907 /nfs/dbraw/zinc/76/69/07/1031766907.db2.gz PAENUXNNZYHFQR-SFHVURJKSA-N 1 2 338.451 3.890 20 0 EHADLO CC1(C)C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C(C)(C)O1 ZINC000528125867 1031774397 /nfs/dbraw/zinc/77/43/97/1031774397.db2.gz OXESORFIQGLEOF-OAHLLOKOSA-N 1 2 338.411 3.983 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)[nH]c(C)c1C(C)=O ZINC000085771590 1031779029 /nfs/dbraw/zinc/77/90/29/1031779029.db2.gz NASZLIYUIMASAQ-AWEZNQCLSA-N 1 2 326.440 3.964 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)[nH]c(C)c1C(C)=O ZINC000085771590 1031779032 /nfs/dbraw/zinc/77/90/32/1031779032.db2.gz NASZLIYUIMASAQ-AWEZNQCLSA-N 1 2 326.440 3.964 20 0 EHADLO O=C(NCCCCOCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117637140 1031784478 /nfs/dbraw/zinc/78/44/78/1031784478.db2.gz IMJONJVZFUUOLK-UHFFFAOYSA-N 1 2 349.434 3.599 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccon3)no2)cc1 ZINC000528150321 1031799682 /nfs/dbraw/zinc/79/96/82/1031799682.db2.gz XDFWKHKKNYRAHX-CQSZACIVSA-N 1 2 330.775 3.715 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccon3)no2)cc1 ZINC000528150321 1031799695 /nfs/dbraw/zinc/79/96/95/1031799695.db2.gz XDFWKHKKNYRAHX-CQSZACIVSA-N 1 2 330.775 3.715 20 0 EHADLO FC(F)(F)c1nn(Cc2cc(-c3ccco3)on2)c2cc[nH+]cc21 ZINC000179933320 1031821473 /nfs/dbraw/zinc/82/14/73/1031821473.db2.gz FMKIBJPGXRTFMI-UHFFFAOYSA-N 1 2 334.257 3.746 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC2(CCCC2)O1 ZINC000551992049 1031824777 /nfs/dbraw/zinc/82/47/77/1031824777.db2.gz YAVDEGUGRCZUMF-ZDUSSCGKSA-N 1 2 333.457 3.722 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC2(CCCC2)O1 ZINC000551992049 1031824787 /nfs/dbraw/zinc/82/47/87/1031824787.db2.gz YAVDEGUGRCZUMF-ZDUSSCGKSA-N 1 2 333.457 3.722 20 0 EHADLO O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000117776580 1031851361 /nfs/dbraw/zinc/85/13/61/1031851361.db2.gz ABCMEDOQSUQNDI-HNNXBMFYSA-N 1 2 333.391 3.972 20 0 EHADLO C[C@H](c1cccc(NC(=O)C(C)(C)C(C)(F)F)c1)[NH+]1CCOCC1 ZINC000448907964 1031868235 /nfs/dbraw/zinc/86/82/35/1031868235.db2.gz IANALBZZODPGFE-CYBMUJFWSA-N 1 2 340.414 3.700 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000448890337 1031875155 /nfs/dbraw/zinc/87/51/55/1031875155.db2.gz IMAPOOSKWXBXDV-LBPRGKRZSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cnn1C ZINC000180322544 1031876805 /nfs/dbraw/zinc/87/68/05/1031876805.db2.gz IWHHNLKVMXPPCX-MGPUTAFESA-N 1 2 348.450 3.759 20 0 EHADLO CCOCc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278660875 1031882732 /nfs/dbraw/zinc/88/27/32/1031882732.db2.gz NFOKUEZHPOKWGC-UHFFFAOYSA-N 1 2 330.375 3.988 20 0 EHADLO Cc1ccc(C)c(C2=NO[C@H](c3nc(-c4ccc(N)[nH+]c4C)no3)C2)c1 ZINC000904264776 1031890384 /nfs/dbraw/zinc/89/03/84/1031890384.db2.gz QGDDEQGVUMOPLP-INIZCTEOSA-N 1 2 349.394 3.505 20 0 EHADLO Cc1ccc(C)c(C2=NO[C@@H](c3nc(-c4ccc(N)[nH+]c4C)no3)C2)c1 ZINC000904264777 1031891187 /nfs/dbraw/zinc/89/11/87/1031891187.db2.gz QGDDEQGVUMOPLP-MRXNPFEDSA-N 1 2 349.394 3.505 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2cnc(CC(C)(C)C)s2)n1 ZINC000904266041 1031892763 /nfs/dbraw/zinc/89/27/63/1031892763.db2.gz XEEOWPGKDPQIOF-UHFFFAOYSA-N 1 2 329.429 3.734 20 0 EHADLO C[C@H]1C[NH+](CCCOc2ccc(C(C)(C)C)cc2)C[C@H](C)S1=O ZINC000484717811 1031893579 /nfs/dbraw/zinc/89/35/79/1031893579.db2.gz VWDVCJUHSCFPRO-HOTGVXAUSA-N 1 2 337.529 3.594 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)CCc2ccccc2F)n1 ZINC000904269396 1031897528 /nfs/dbraw/zinc/89/75/28/1031897528.db2.gz DWNSNTVEPMNSJV-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000448910295 1031914343 /nfs/dbraw/zinc/91/43/43/1031914343.db2.gz NSZWRWXJYVLEKT-GPMSIDNRSA-N 1 2 330.472 3.845 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159180183 1031936220 /nfs/dbraw/zinc/93/62/20/1031936220.db2.gz SQQAWLQMBHOTRE-LSDHHAIUSA-N 1 2 330.432 3.518 20 0 EHADLO CCOCC[N@H+](C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000537857936 1031967579 /nfs/dbraw/zinc/96/75/79/1031967579.db2.gz VRIYMEUNPGMHGR-UHFFFAOYSA-N 1 2 344.480 3.745 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000537857936 1031967593 /nfs/dbraw/zinc/96/75/93/1031967593.db2.gz VRIYMEUNPGMHGR-UHFFFAOYSA-N 1 2 344.480 3.745 20 0 EHADLO CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCCCC1 ZINC000460715836 1031983428 /nfs/dbraw/zinc/98/34/28/1031983428.db2.gz MFTLHSBOIGQYKO-UHFFFAOYSA-N 1 2 343.515 3.733 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000449001179 1032008629 /nfs/dbraw/zinc/00/86/29/1032008629.db2.gz CKLLRRGHXQNXMY-AWEZNQCLSA-N 1 2 327.457 3.553 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000449001179 1032008646 /nfs/dbraw/zinc/00/86/46/1032008646.db2.gz CKLLRRGHXQNXMY-AWEZNQCLSA-N 1 2 327.457 3.553 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cs1 ZINC000449014379 1032021381 /nfs/dbraw/zinc/02/13/81/1032021381.db2.gz AIJZRQCSYMKXBA-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727704 1032028249 /nfs/dbraw/zinc/02/82/49/1032028249.db2.gz XDVNCSWSMFXPEX-SUMWQHHRSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@H]1COCC[N@H+]1CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727704 1032028263 /nfs/dbraw/zinc/02/82/63/1032028263.db2.gz XDVNCSWSMFXPEX-SUMWQHHRSA-N 1 2 343.298 3.851 20 0 EHADLO CC[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC(C)CC1 ZINC000460786992 1032051200 /nfs/dbraw/zinc/05/12/00/1032051200.db2.gz OFGCAZWISMSROK-ABHNRTSZSA-N 1 2 329.488 3.583 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426520 1033318581 /nfs/dbraw/zinc/31/85/81/1033318581.db2.gz VQHFOPCJLDDOIX-WCQYABFASA-N 1 2 347.377 3.528 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426520 1033318600 /nfs/dbraw/zinc/31/86/00/1033318600.db2.gz VQHFOPCJLDDOIX-WCQYABFASA-N 1 2 347.377 3.528 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CCCCC2)nc1-c1ccccn1 ZINC000158059447 1033348746 /nfs/dbraw/zinc/34/87/46/1033348746.db2.gz SRRNRIXWMSFIHS-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CCCCC2)nc1-c1ccccn1 ZINC000158059447 1033348754 /nfs/dbraw/zinc/34/87/54/1033348754.db2.gz SRRNRIXWMSFIHS-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120119924 1033377787 /nfs/dbraw/zinc/37/77/87/1033377787.db2.gz QVAJPZCIOMFZTC-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120119924 1033377798 /nfs/dbraw/zinc/37/77/98/1033377798.db2.gz QVAJPZCIOMFZTC-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000607907462 1033402293 /nfs/dbraw/zinc/40/22/93/1033402293.db2.gz ZMYFABTWTCATLN-ZDUSSCGKSA-N 1 2 339.361 3.602 20 0 EHADLO CCCc1ccc([C@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000358123427 1033406098 /nfs/dbraw/zinc/40/60/98/1033406098.db2.gz VZICYYMIUNUZJD-GOSISDBHSA-N 1 2 328.460 3.569 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1nc(C(F)(F)F)cs1 ZINC000657898526 1033436186 /nfs/dbraw/zinc/43/61/86/1033436186.db2.gz CNVZWFDCWIUJFS-VHSXEESVSA-N 1 2 330.379 3.934 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168240754 1033461206 /nfs/dbraw/zinc/46/12/06/1033461206.db2.gz FUBUMMGBYMONPK-UHFFFAOYSA-N 1 2 336.775 3.555 20 0 EHADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608083075 1033465981 /nfs/dbraw/zinc/46/59/81/1033465981.db2.gz OJUBKZRSRJRGMI-KRWDZBQOSA-N 1 2 337.402 3.629 20 0 EHADLO C[C@H](CCc1ccco1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616971 1033466298 /nfs/dbraw/zinc/46/62/98/1033466298.db2.gz YRWIDJNHGICGLN-CRAIPNDOSA-N 1 2 344.455 3.538 20 0 EHADLO CSCC1(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000594660288 1033492994 /nfs/dbraw/zinc/49/29/94/1033492994.db2.gz MQQLPOAMUHHJOQ-UHFFFAOYSA-N 1 2 339.468 3.761 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1)C2 ZINC001168289766 1033530179 /nfs/dbraw/zinc/53/01/79/1033530179.db2.gz VGBHUJMZMIPPSP-UYAOXDASSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1)C2 ZINC001168289766 1033530189 /nfs/dbraw/zinc/53/01/89/1033530189.db2.gz VGBHUJMZMIPPSP-UYAOXDASSA-N 1 2 343.854 3.889 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000131164823 1033538426 /nfs/dbraw/zinc/53/84/26/1033538426.db2.gz ABARRHQCRVOBAJ-XHDPSFHLSA-N 1 2 325.334 3.534 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001168292123 1033540006 /nfs/dbraw/zinc/54/00/06/1033540006.db2.gz ALJLTCGSXYDYGZ-QGZVFWFLSA-N 1 2 332.407 3.526 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000608206369 1033542656 /nfs/dbraw/zinc/54/26/56/1033542656.db2.gz WLAKIBQMXBPFDO-IBGZPJMESA-N 1 2 344.418 3.615 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120260565 1033551902 /nfs/dbraw/zinc/55/19/02/1033551902.db2.gz ITUNBWUJEKTWBD-AWEZNQCLSA-N 1 2 333.476 3.510 20 0 EHADLO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079318704 1033569190 /nfs/dbraw/zinc/56/91/90/1033569190.db2.gz NLBFRLMUHDQKJM-UHFFFAOYSA-N 1 2 345.896 3.533 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000685565272 1033571645 /nfs/dbraw/zinc/57/16/45/1033571645.db2.gz VTLUHGAOLRXPHX-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000608388389 1033666072 /nfs/dbraw/zinc/66/60/72/1033666072.db2.gz JDWPHCOLSYOQON-APWZRJJASA-N 1 2 348.450 3.764 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651064 1033676408 /nfs/dbraw/zinc/67/64/08/1033676408.db2.gz ZXOUSMTYXYPQKE-GHMZBOCLSA-N 1 2 326.322 3.529 20 0 EHADLO Cc1cc(NC(=O)c2coc3c2cc(Br)cc3C)cc[nH+]1 ZINC000472346925 1033705801 /nfs/dbraw/zinc/70/58/01/1033705801.db2.gz HFOGEZJYRWZBGO-UHFFFAOYSA-N 1 2 345.196 3.881 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341936 1033757043 /nfs/dbraw/zinc/75/70/43/1033757043.db2.gz XIPZOVFDEKKRBX-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341936 1033757056 /nfs/dbraw/zinc/75/70/56/1033757056.db2.gz XIPZOVFDEKKRBX-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)[C@H](CC)CN1C(C)=O ZINC000472351986 1033789364 /nfs/dbraw/zinc/78/93/64/1033789364.db2.gz SAJMPFNIILJPEB-QZTJIDSGSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@H](CC)CN1C(C)=O ZINC000472351986 1033789380 /nfs/dbraw/zinc/78/93/80/1033789380.db2.gz SAJMPFNIILJPEB-QZTJIDSGSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@@H](CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000174201053 1033803810 /nfs/dbraw/zinc/80/38/10/1033803810.db2.gz CBNCCXXIMCZHAJ-KRWDZBQOSA-N 1 2 345.531 3.910 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)csc2C1 ZINC000120472631 1033848014 /nfs/dbraw/zinc/84/80/14/1033848014.db2.gz FEBJOFKMQOIYFW-HIFRSBDPSA-N 1 2 342.464 3.561 20 0 EHADLO CC[C@@H]1C[C@H](C)CN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608728152 1033868191 /nfs/dbraw/zinc/86/81/91/1033868191.db2.gz HUHLOODQLKHAFD-CGTJXYLNSA-N 1 2 340.471 3.534 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120525219 1033913133 /nfs/dbraw/zinc/91/31/33/1033913133.db2.gz OBVYKASDBHHRRN-OAHLLOKOSA-N 1 2 341.798 3.510 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccccc1OC(F)(F)F ZINC000658099155 1033917497 /nfs/dbraw/zinc/91/74/97/1033917497.db2.gz UYVCQAMHWAZRKU-NHCYSSNCSA-N 1 2 326.322 3.533 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)Nc3ccc4[nH+]ccn4c3)cs2)cc1 ZINC000603785422 1033920538 /nfs/dbraw/zinc/92/05/38/1033920538.db2.gz NKNNPFAOQSNNTM-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCC12CCCCC2 ZINC000476484545 1033932715 /nfs/dbraw/zinc/93/27/15/1033932715.db2.gz DOEWXFLQJLTMRN-UHFFFAOYSA-N 1 2 347.409 3.948 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000599432708 1033935799 /nfs/dbraw/zinc/93/57/99/1033935799.db2.gz AKAJKOOMAIUZTA-QGZVFWFLSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000599432708 1033935810 /nfs/dbraw/zinc/93/58/10/1033935810.db2.gz AKAJKOOMAIUZTA-QGZVFWFLSA-N 1 2 345.830 3.644 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450242102 1033944613 /nfs/dbraw/zinc/94/46/13/1033944613.db2.gz NZOAVYHQLNSUOK-HNNXBMFYSA-N 1 2 346.356 3.899 20 0 EHADLO O=C(CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000450254430 1033971645 /nfs/dbraw/zinc/97/16/45/1033971645.db2.gz IOYFMOPHABVNKU-FQEVSTJZSA-N 1 2 327.399 3.862 20 0 EHADLO O=C(CCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000450254430 1033971659 /nfs/dbraw/zinc/97/16/59/1033971659.db2.gz IOYFMOPHABVNKU-FQEVSTJZSA-N 1 2 327.399 3.862 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1OC ZINC000658118265 1033977193 /nfs/dbraw/zinc/97/71/93/1033977193.db2.gz DKYMIZDRSXOMPE-LBPRGKRZSA-N 1 2 349.402 3.711 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000450248238 1033989450 /nfs/dbraw/zinc/98/94/50/1033989450.db2.gz WKBGEVMLHUKWSG-CYBMUJFWSA-N 1 2 334.851 3.730 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000595775158 1033994258 /nfs/dbraw/zinc/99/42/58/1033994258.db2.gz MZMDOIRQYYSZHO-ABAIWWIYSA-N 1 2 335.341 3.690 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000595791170 1034001065 /nfs/dbraw/zinc/00/10/65/1034001065.db2.gz ZXZGTEALWCNJSP-ZFWWWQNUSA-N 1 2 339.505 3.665 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](CCC(C)C)c2ccc(Cl)cc2)n1 ZINC000658159938 1034017116 /nfs/dbraw/zinc/01/71/16/1034017116.db2.gz ULTQEPWYMAAFSM-HNNXBMFYSA-N 1 2 336.867 3.872 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000599652073 1034085969 /nfs/dbraw/zinc/08/59/69/1034085969.db2.gz DWECVNSEPFKMJM-LALPHHSUSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000599652073 1034085986 /nfs/dbraw/zinc/08/59/86/1034085986.db2.gz DWECVNSEPFKMJM-LALPHHSUSA-N 1 2 343.254 3.552 20 0 EHADLO Cc1nn(C)cc1[C@@H](C)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450311135 1034087144 /nfs/dbraw/zinc/08/71/44/1034087144.db2.gz YPCNHBZNKIJTCH-SNVBAGLBSA-N 1 2 334.345 3.891 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCCC2=O)cc1 ZINC000179285819 1034090536 /nfs/dbraw/zinc/09/05/36/1034090536.db2.gz NRDFDHUTODWXDB-CQSZACIVSA-N 1 2 334.423 3.873 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000119143610 1034101032 /nfs/dbraw/zinc/10/10/32/1034101032.db2.gz KZXKLGOWDHDWOJ-INIZCTEOSA-N 1 2 338.451 3.653 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000119143610 1034101039 /nfs/dbraw/zinc/10/10/39/1034101039.db2.gz KZXKLGOWDHDWOJ-INIZCTEOSA-N 1 2 338.451 3.653 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787400 1034104598 /nfs/dbraw/zinc/10/45/98/1034104598.db2.gz VGJRFVKHIQAEOW-HZPDHXFCSA-N 1 2 327.428 3.516 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787400 1034104607 /nfs/dbraw/zinc/10/46/07/1034104607.db2.gz VGJRFVKHIQAEOW-HZPDHXFCSA-N 1 2 327.428 3.516 20 0 EHADLO CCC[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120781859 1034105011 /nfs/dbraw/zinc/10/50/11/1034105011.db2.gz RBWMWWDSOKUVDY-PKOBYXMFSA-N 1 2 339.483 3.785 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787252 1034105631 /nfs/dbraw/zinc/10/56/31/1034105631.db2.gz VGJRFVKHIQAEOW-HOTGVXAUSA-N 1 2 327.428 3.516 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787252 1034105646 /nfs/dbraw/zinc/10/56/46/1034105646.db2.gz VGJRFVKHIQAEOW-HOTGVXAUSA-N 1 2 327.428 3.516 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000119298496 1034112018 /nfs/dbraw/zinc/11/20/18/1034112018.db2.gz RSKWIBMBCFYWKU-AWEZNQCLSA-N 1 2 347.459 3.567 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000596218927 1034124563 /nfs/dbraw/zinc/12/45/63/1034124563.db2.gz KPFFVWSGRFEPAP-UHFFFAOYSA-N 1 2 348.805 3.890 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529525731 1034138146 /nfs/dbraw/zinc/13/81/46/1034138146.db2.gz LZCDJQVUQOBRBZ-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529525731 1034138158 /nfs/dbraw/zinc/13/81/58/1034138158.db2.gz LZCDJQVUQOBRBZ-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000596292617 1034145958 /nfs/dbraw/zinc/14/59/58/1034145958.db2.gz LRAWGTKSQONYMZ-HNNXBMFYSA-N 1 2 344.386 3.651 20 0 EHADLO Cc1c(Br)cccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000534133698 1034177133 /nfs/dbraw/zinc/17/71/33/1034177133.db2.gz GIEFGULQWNWHST-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1c(Br)cccc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000534133698 1034177146 /nfs/dbraw/zinc/17/71/46/1034177146.db2.gz GIEFGULQWNWHST-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1NC(=O)C(C)(C)C ZINC000599824416 1034190536 /nfs/dbraw/zinc/19/05/36/1034190536.db2.gz WPSGNIHHJGCGDJ-UHFFFAOYSA-N 1 2 342.443 3.595 20 0 EHADLO Clc1cnn([C@H]2CC[N@H+](Cc3ccsc3Br)C2)c1 ZINC000529574722 1034204547 /nfs/dbraw/zinc/20/45/47/1034204547.db2.gz QXVNQMUQFRWUND-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO Clc1cnn([C@H]2CC[N@@H+](Cc3ccsc3Br)C2)c1 ZINC000529574722 1034204559 /nfs/dbraw/zinc/20/45/59/1034204559.db2.gz QXVNQMUQFRWUND-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO CN(C[C@@H]1CCOC1)c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450368616 1034216712 /nfs/dbraw/zinc/21/67/12/1034216712.db2.gz INKLDAVHBCDGCX-JTQLQIEISA-N 1 2 339.208 3.609 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421798141 1034216961 /nfs/dbraw/zinc/21/69/61/1034216961.db2.gz XTDDKULVNGDAHR-RCBQFDQVSA-N 1 2 336.838 3.531 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421798141 1034216970 /nfs/dbraw/zinc/21/69/70/1034216970.db2.gz XTDDKULVNGDAHR-RCBQFDQVSA-N 1 2 336.838 3.531 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000604112213 1034224086 /nfs/dbraw/zinc/22/40/86/1034224086.db2.gz ZIBCLWDXAOZVOM-QGZVFWFLSA-N 1 2 334.529 3.561 20 0 EHADLO CCC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000456242975 1034228709 /nfs/dbraw/zinc/22/87/09/1034228709.db2.gz ZXZQHUKSOMRUDW-UHFFFAOYSA-N 1 2 325.456 3.703 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(Br)c1 ZINC000529595573 1034236324 /nfs/dbraw/zinc/23/63/24/1034236324.db2.gz JMQJWLOXKNFAIN-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(Br)c1 ZINC000529595573 1034236333 /nfs/dbraw/zinc/23/63/33/1034236333.db2.gz JMQJWLOXKNFAIN-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccn(CC(F)(F)F)n2)s1 ZINC000450384911 1034244384 /nfs/dbraw/zinc/24/43/84/1034244384.db2.gz CLFLUBUVMQLBOJ-JTQLQIEISA-N 1 2 332.395 3.712 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccn(CC(F)(F)F)n2)s1 ZINC000450384911 1034244397 /nfs/dbraw/zinc/24/43/97/1034244397.db2.gz CLFLUBUVMQLBOJ-JTQLQIEISA-N 1 2 332.395 3.712 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C(C)C ZINC000456297553 1034289230 /nfs/dbraw/zinc/28/92/30/1034289230.db2.gz RHNTYEXYXPEAED-RBUKOAKNSA-N 1 2 325.456 3.684 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000121012315 1034348768 /nfs/dbraw/zinc/34/87/68/1034348768.db2.gz FTXGVQABSKGNIS-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000121012315 1034348780 /nfs/dbraw/zinc/34/87/80/1034348780.db2.gz FTXGVQABSKGNIS-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO OC1(C(F)F)CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450451911 1034356963 /nfs/dbraw/zinc/35/69/63/1034356963.db2.gz KRIRIEIVWPDMKR-UHFFFAOYSA-N 1 2 346.299 3.850 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cc2c1 ZINC000529664003 1034387006 /nfs/dbraw/zinc/38/70/06/1034387006.db2.gz AWRDYPPUTJSYET-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)cc2c1 ZINC000529664003 1034387021 /nfs/dbraw/zinc/38/70/21/1034387021.db2.gz AWRDYPPUTJSYET-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO COc1ccc(C2(NC(=O)Nc3cc(C)[nH+]cc3C)CCCC2)cc1 ZINC000534323782 1034397214 /nfs/dbraw/zinc/39/72/14/1034397214.db2.gz SHNGAVMYJBZRFT-UHFFFAOYSA-N 1 2 339.439 3.720 20 0 EHADLO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000529693773 1034435863 /nfs/dbraw/zinc/43/58/63/1034435863.db2.gz MNYQOPUMRAHKJR-UHFFFAOYSA-N 1 2 339.361 3.656 20 0 EHADLO C[N@H+](CC1CCCCC1)Cn1ncn(CCc2ccccn2)c1=S ZINC000171558682 1034456735 /nfs/dbraw/zinc/45/67/35/1034456735.db2.gz XKYUKXSQVJDJEO-UHFFFAOYSA-N 1 2 345.516 3.521 20 0 EHADLO C[N@@H+](CC1CCCCC1)Cn1ncn(CCc2ccccn2)c1=S ZINC000171558682 1034456746 /nfs/dbraw/zinc/45/67/46/1034456746.db2.gz XKYUKXSQVJDJEO-UHFFFAOYSA-N 1 2 345.516 3.521 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC000121173705 1034486133 /nfs/dbraw/zinc/48/61/33/1034486133.db2.gz UXJVZSCPIGCVHT-OAHLLOKOSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000121173705 1034486144 /nfs/dbraw/zinc/48/61/44/1034486144.db2.gz UXJVZSCPIGCVHT-OAHLLOKOSA-N 1 2 337.533 3.826 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000450583132 1034547494 /nfs/dbraw/zinc/54/74/94/1034547494.db2.gz UIDNAOWYFBEDLA-UHFFFAOYSA-N 1 2 328.847 3.631 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000450583132 1034547499 /nfs/dbraw/zinc/54/74/99/1034547499.db2.gz UIDNAOWYFBEDLA-UHFFFAOYSA-N 1 2 328.847 3.631 20 0 EHADLO CCCOc1cccc2c(NCc3nnc(C(C)C)[nH]3)cc[nH+]c12 ZINC000450629397 1034583328 /nfs/dbraw/zinc/58/33/28/1034583328.db2.gz PHIPIHYZWYKERM-UHFFFAOYSA-N 1 2 325.416 3.877 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cscc2Cl)C1 ZINC000597182122 1034586217 /nfs/dbraw/zinc/58/62/17/1034586217.db2.gz RDAQLYNPHTWDNW-SCZZXKLOSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cscc2Cl)C1 ZINC000597182122 1034586229 /nfs/dbraw/zinc/58/62/29/1034586229.db2.gz RDAQLYNPHTWDNW-SCZZXKLOSA-N 1 2 341.782 3.575 20 0 EHADLO CCC(NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)(C1CC1)C1CC1 ZINC000529801623 1034595373 /nfs/dbraw/zinc/59/53/73/1034595373.db2.gz ZOVLXWDSHRYZOU-UHFFFAOYSA-N 1 2 347.409 3.708 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000375827556 1034652546 /nfs/dbraw/zinc/65/25/46/1034652546.db2.gz ZSONGTYBZDNKAI-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000375827556 1034652563 /nfs/dbraw/zinc/65/25/63/1034652563.db2.gz ZSONGTYBZDNKAI-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO C[C@@H](Cc1ccsc1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000584465522 1034657280 /nfs/dbraw/zinc/65/72/80/1034657280.db2.gz MUTBOZMNTQLCDJ-WMLDXEAASA-N 1 2 339.464 3.741 20 0 EHADLO CC([NH2+]Cc1cn(CC2CC2)nn1)(c1ccccc1)c1ccccc1 ZINC000450677137 1034675727 /nfs/dbraw/zinc/67/57/27/1034675727.db2.gz FVJPTCGPVCCFSF-UHFFFAOYSA-N 1 2 332.451 3.741 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612265633 1034678805 /nfs/dbraw/zinc/67/88/05/1034678805.db2.gz BKCDDDRKRFSRJU-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000450686980 1034688489 /nfs/dbraw/zinc/68/84/89/1034688489.db2.gz YUORHUSYXTVVKC-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO O[C@@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccc(-c2ccccc2)cc1 ZINC000375841259 1034689707 /nfs/dbraw/zinc/68/97/07/1034689707.db2.gz RHOYMWHQDDFYRV-FPOVZHCZSA-N 1 2 333.435 3.777 20 0 EHADLO Brc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)nc1 ZINC000601756625 1034725916 /nfs/dbraw/zinc/72/59/16/1034725916.db2.gz SOYYIQYSEOFVIJ-QGZVFWFLSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)nc1 ZINC000601756625 1034725931 /nfs/dbraw/zinc/72/59/31/1034725931.db2.gz SOYYIQYSEOFVIJ-QGZVFWFLSA-N 1 2 347.256 3.808 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)c[nH+]1 ZINC000456844719 1034762656 /nfs/dbraw/zinc/76/26/56/1034762656.db2.gz RVJDUBOPUFZDKG-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO CC(C)c1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nc1 ZINC000685764699 1034767782 /nfs/dbraw/zinc/76/77/82/1034767782.db2.gz MGRGDNNCVXHJLC-LJQANCHMSA-N 1 2 348.450 3.652 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2CCOc3ccc(Cl)cc32)c[nH+]1 ZINC000456840269 1034784126 /nfs/dbraw/zinc/78/41/26/1034784126.db2.gz NMZUKALCFMNLDL-HNNXBMFYSA-N 1 2 330.815 3.534 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456844147 1034790693 /nfs/dbraw/zinc/79/06/93/1034790693.db2.gz HQZHQQZTSUODGY-CQSZACIVSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000601905322 1034810523 /nfs/dbraw/zinc/81/05/23/1034810523.db2.gz PFIXJLHJOIMROE-IEBWSBKVSA-N 1 2 340.471 3.935 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c[nH+]1 ZINC000456853890 1034812406 /nfs/dbraw/zinc/81/24/06/1034812406.db2.gz YFWYDHPNEMHFNS-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO CCC[N@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccc(OC)cc1 ZINC000605708958 1034819805 /nfs/dbraw/zinc/81/98/05/1034819805.db2.gz STIBWVKZJGMPFB-CQSZACIVSA-N 1 2 333.432 3.588 20 0 EHADLO CCC[N@@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccc(OC)cc1 ZINC000605708958 1034819819 /nfs/dbraw/zinc/81/98/19/1034819819.db2.gz STIBWVKZJGMPFB-CQSZACIVSA-N 1 2 333.432 3.588 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000605708968 1034820170 /nfs/dbraw/zinc/82/01/70/1034820170.db2.gz ULQISQGPCNHZRT-OAHLLOKOSA-N 1 2 347.459 3.834 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000605708968 1034820179 /nfs/dbraw/zinc/82/01/79/1034820179.db2.gz ULQISQGPCNHZRT-OAHLLOKOSA-N 1 2 347.459 3.834 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601946917 1034830831 /nfs/dbraw/zinc/83/08/31/1034830831.db2.gz DLCHRKCOUVOUPJ-NEPJUHHUSA-N 1 2 334.441 3.985 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000121364236 1034845928 /nfs/dbraw/zinc/84/59/28/1034845928.db2.gz NENYMKKSIYSRGQ-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000121364236 1034845942 /nfs/dbraw/zinc/84/59/42/1034845942.db2.gz NENYMKKSIYSRGQ-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO FC(F)(F)c1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)[nH]n1 ZINC000669619676 1034851566 /nfs/dbraw/zinc/85/15/66/1034851566.db2.gz FVICHGFNYKOFMK-UHFFFAOYSA-N 1 2 349.360 3.684 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649564 1034911379 /nfs/dbraw/zinc/91/13/79/1034911379.db2.gz BNBMTFOILHQQNF-VXGBXAGGSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649564 1034911387 /nfs/dbraw/zinc/91/13/87/1034911387.db2.gz BNBMTFOILHQQNF-VXGBXAGGSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095939 1034956754 /nfs/dbraw/zinc/95/67/54/1034956754.db2.gz PCHQLWHWOHFHIB-KGLIPLIRSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095939 1034956763 /nfs/dbraw/zinc/95/67/63/1034956763.db2.gz PCHQLWHWOHFHIB-KGLIPLIRSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@H](C[N@H+](C)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1 ZINC000530106935 1034967163 /nfs/dbraw/zinc/96/71/63/1034967163.db2.gz BGLCAXWJUMYOSP-LLVKDONJSA-N 1 2 332.275 3.656 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1 ZINC000530106935 1034967169 /nfs/dbraw/zinc/96/71/69/1034967169.db2.gz BGLCAXWJUMYOSP-LLVKDONJSA-N 1 2 332.275 3.656 20 0 EHADLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000065943492 1034982860 /nfs/dbraw/zinc/98/28/60/1034982860.db2.gz XRGUOZAZGBYISP-UHFFFAOYSA-N 1 2 330.501 3.736 20 0 EHADLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000065943492 1034982862 /nfs/dbraw/zinc/98/28/62/1034982862.db2.gz XRGUOZAZGBYISP-UHFFFAOYSA-N 1 2 330.501 3.736 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC)c(OC)c1 ZINC000450980611 1035010655 /nfs/dbraw/zinc/01/06/55/1035010655.db2.gz UTPRKMZLCLPQDZ-ZDUSSCGKSA-N 1 2 333.457 3.674 20 0 EHADLO FC(F)(F)c1ncc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cn1 ZINC000926674934 1035010834 /nfs/dbraw/zinc/01/08/34/1035010834.db2.gz CHZGKOKNYOYXAG-LBPRGKRZSA-N 1 2 343.736 3.510 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892505717 1035092406 /nfs/dbraw/zinc/09/24/06/1035092406.db2.gz HVMSXQYCCHGWDQ-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000066155661 1035268014 /nfs/dbraw/zinc/26/80/14/1035268014.db2.gz HDQAMNKQZREJTB-MRXNPFEDSA-N 1 2 333.863 3.563 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000066155661 1035268018 /nfs/dbraw/zinc/26/80/18/1035268018.db2.gz HDQAMNKQZREJTB-MRXNPFEDSA-N 1 2 333.863 3.563 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000376120730 1035291248 /nfs/dbraw/zinc/29/12/48/1035291248.db2.gz YVEKYBMJCCMLDD-UHFFFAOYSA-N 1 2 336.798 3.676 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000685843228 1035396170 /nfs/dbraw/zinc/39/61/70/1035396170.db2.gz TYFAEEILNHTKNN-LCYFTJDESA-N 1 2 333.382 3.712 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCn2cc(C)nc2C1 ZINC000685843228 1035396174 /nfs/dbraw/zinc/39/61/74/1035396174.db2.gz TYFAEEILNHTKNN-LCYFTJDESA-N 1 2 333.382 3.712 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)s1 ZINC000414062825 1035424554 /nfs/dbraw/zinc/42/45/54/1035424554.db2.gz DFOKKAXOJHSDGK-CYBMUJFWSA-N 1 2 348.468 3.815 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)n1cc[nH+]c1 ZINC000636281454 1035436680 /nfs/dbraw/zinc/43/66/80/1035436680.db2.gz QCCVPEZKXYYHLP-NRSFXHEJSA-N 1 2 343.858 3.578 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H]1c1ccco1 ZINC000636306084 1035487970 /nfs/dbraw/zinc/48/79/70/1035487970.db2.gz YXBRMNISFXEJCE-TZMCWYRMSA-N 1 2 341.333 3.579 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c(OCC2CC2)c1 ZINC000414110017 1035558725 /nfs/dbraw/zinc/55/87/25/1035558725.db2.gz LIKWVKRDOABIFS-HNNXBMFYSA-N 1 2 325.456 3.777 20 0 EHADLO CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376249405 1035583548 /nfs/dbraw/zinc/58/35/48/1035583548.db2.gz IJDNMYBVZGELSV-WMLDXEAASA-N 1 2 341.455 3.537 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1c(C)nc2ccccn21 ZINC000463527359 1035584183 /nfs/dbraw/zinc/58/41/83/1035584183.db2.gz OMJZWWUTGMXHKC-UHFFFAOYSA-N 1 2 339.830 3.700 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)Nc1scnc1C1CC1 ZINC000492295304 1035590810 /nfs/dbraw/zinc/59/08/10/1035590810.db2.gz CRNGGMSJXMEICT-FPYGCLRLSA-N 1 2 336.420 3.858 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(F)ccc2SC)s1 ZINC000414119402 1035611819 /nfs/dbraw/zinc/61/18/19/1035611819.db2.gz WIKQCSLSQWXJBB-VIFPVBQESA-N 1 2 340.445 3.642 20 0 EHADLO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000540780927 1035678040 /nfs/dbraw/zinc/67/80/40/1035678040.db2.gz XQRTZBYTCBUSNL-CRAIPNDOSA-N 1 2 348.487 3.668 20 0 EHADLO CCOC(=O)C[C@](C)([NH2+]Cc1noc(C2CCCCC2)n1)C(C)C ZINC000186690318 1035688159 /nfs/dbraw/zinc/68/81/59/1035688159.db2.gz GECOKHLKBAZJIQ-SFHVURJKSA-N 1 2 337.464 3.575 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cc(C)cc2C)c1C ZINC000534873428 1035706327 /nfs/dbraw/zinc/70/63/27/1035706327.db2.gz MCCCYEOVGNJATH-UHFFFAOYSA-N 1 2 326.440 3.905 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000571810649 1035762089 /nfs/dbraw/zinc/76/20/89/1035762089.db2.gz MTMOZDUJLFCLRA-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000571810649 1035762105 /nfs/dbraw/zinc/76/21/05/1035762105.db2.gz MTMOZDUJLFCLRA-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO CN(C)c1nccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000540923793 1035795755 /nfs/dbraw/zinc/79/57/55/1035795755.db2.gz WNDOEHHLWLDUJG-UHFFFAOYSA-N 1 2 344.768 3.505 20 0 EHADLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000669885186 1035796504 /nfs/dbraw/zinc/79/65/04/1035796504.db2.gz UVGJKZKZSQCWGQ-HNNXBMFYSA-N 1 2 346.500 3.908 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1nc(C)c(C)s1 ZINC000187273921 1035803383 /nfs/dbraw/zinc/80/33/83/1035803383.db2.gz AXXBHBPJBNNRSS-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000669272911 1035890194 /nfs/dbraw/zinc/89/01/94/1035890194.db2.gz IQWNKGBLNXYXTM-IEBWSBKVSA-N 1 2 325.456 3.739 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)no1 ZINC000541022986 1035909101 /nfs/dbraw/zinc/90/91/01/1035909101.db2.gz KDBBABZADXIWEP-FOIQADDNSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)no1 ZINC000541022986 1035909118 /nfs/dbraw/zinc/90/91/18/1035909118.db2.gz KDBBABZADXIWEP-FOIQADDNSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccccc3F)C(C)C)[nH+]c12 ZINC000588359882 1035909856 /nfs/dbraw/zinc/90/98/56/1035909856.db2.gz JLJDUCOHPDJVCB-UHFFFAOYSA-N 1 2 339.414 3.762 20 0 EHADLO CSc1cccc(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000588373738 1035914693 /nfs/dbraw/zinc/91/46/93/1035914693.db2.gz HWFBARXNUYHXNJ-UHFFFAOYSA-N 1 2 325.437 3.570 20 0 EHADLO COCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672186 1035932107 /nfs/dbraw/zinc/93/21/07/1035932107.db2.gz LMFYBGCKLYYGJF-FQEVSTJZSA-N 1 2 344.886 3.693 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000152157186 1035979895 /nfs/dbraw/zinc/97/98/95/1035979895.db2.gz VMGZFWJQLGRSRN-UHFFFAOYSA-N 1 2 334.489 3.610 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000152157186 1035979904 /nfs/dbraw/zinc/97/99/04/1035979904.db2.gz VMGZFWJQLGRSRN-UHFFFAOYSA-N 1 2 334.489 3.610 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000572111650 1035999603 /nfs/dbraw/zinc/99/96/03/1035999603.db2.gz NMTYDLXBZQLSHU-RBUKOAKNSA-N 1 2 340.471 3.546 20 0 EHADLO CCC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613478555 1036012983 /nfs/dbraw/zinc/01/29/83/1036012983.db2.gz FMBLMIVYOIVAOD-OAHLLOKOSA-N 1 2 341.455 3.789 20 0 EHADLO CC[C@@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492566904 1036016704 /nfs/dbraw/zinc/01/67/04/1036016704.db2.gz SPIPRKZOJGWAIW-PODYEWJSSA-N 1 2 337.345 3.733 20 0 EHADLO CC(C)c1cc(C(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc2n1 ZINC000475794860 1036019730 /nfs/dbraw/zinc/01/97/30/1036019730.db2.gz IWWSMDHXFKTWBP-UHFFFAOYSA-N 1 2 344.418 3.936 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1F ZINC000189153988 1036022550 /nfs/dbraw/zinc/02/25/50/1036022550.db2.gz AXUHFKNTKSPCTP-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189188432 1036029737 /nfs/dbraw/zinc/02/97/37/1036029737.db2.gz QWYAPUDNACOUDS-CXAGYDPISA-N 1 2 336.863 3.558 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1)NCC(F)(F)F ZINC000541201670 1036073344 /nfs/dbraw/zinc/07/33/44/1036073344.db2.gz UGCZQCQKXGBRMI-WSROAFLRSA-N 1 2 346.418 3.684 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1)NCC(F)(F)F ZINC000541201670 1036073363 /nfs/dbraw/zinc/07/33/63/1036073363.db2.gz UGCZQCQKXGBRMI-WSROAFLRSA-N 1 2 346.418 3.684 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535155100 1036116413 /nfs/dbraw/zinc/11/64/13/1036116413.db2.gz BBCNRCVEFJDOCZ-UVBJJODRSA-N 1 2 326.843 3.777 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535155100 1036116427 /nfs/dbraw/zinc/11/64/27/1036116427.db2.gz BBCNRCVEFJDOCZ-UVBJJODRSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OC(F)F)cc1 ZINC000414229813 1036173700 /nfs/dbraw/zinc/17/37/00/1036173700.db2.gz AEEGBLYIQBBQMH-VIFPVBQESA-N 1 2 347.287 3.948 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000457496147 1036197088 /nfs/dbraw/zinc/19/70/88/1036197088.db2.gz ZPLQSCXXPVMPJC-NSHDSACASA-N 1 2 331.432 3.749 20 0 EHADLO CO[C@H](C[N@H+](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000549041517 1036203533 /nfs/dbraw/zinc/20/35/33/1036203533.db2.gz MMVLPGOHLDNQHJ-LJQANCHMSA-N 1 2 326.440 3.561 20 0 EHADLO CO[C@H](C[N@@H+](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000549041517 1036203548 /nfs/dbraw/zinc/20/35/48/1036203548.db2.gz MMVLPGOHLDNQHJ-LJQANCHMSA-N 1 2 326.440 3.561 20 0 EHADLO Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3S(C)(=O)=O)oc2c1 ZINC000414235847 1036206356 /nfs/dbraw/zinc/20/63/56/1036206356.db2.gz HKAOMKLWEVEEJQ-CQSZACIVSA-N 1 2 343.448 3.996 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000457520267 1036244787 /nfs/dbraw/zinc/24/47/87/1036244787.db2.gz IWUYKRGLZZHZKF-ZIAGYGMSSA-N 1 2 342.405 3.712 20 0 EHADLO CO[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000170819877 1036273825 /nfs/dbraw/zinc/27/38/25/1036273825.db2.gz LGCABFFXVVWUAO-MRXNPFEDSA-N 1 2 346.496 3.508 20 0 EHADLO CO[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000170819877 1036273837 /nfs/dbraw/zinc/27/38/37/1036273837.db2.gz LGCABFFXVVWUAO-MRXNPFEDSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000056444940 1036279546 /nfs/dbraw/zinc/27/95/46/1036279546.db2.gz VZSFIFAOEPOMLL-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC=C(F)C1 ZINC000492811169 1036303515 /nfs/dbraw/zinc/30/35/15/1036303515.db2.gz VRKUFDRQCGTGQC-LJQANCHMSA-N 1 2 327.399 3.652 20 0 EHADLO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC=C(F)C1 ZINC000492811169 1036303534 /nfs/dbraw/zinc/30/35/34/1036303534.db2.gz VRKUFDRQCGTGQC-LJQANCHMSA-N 1 2 327.399 3.652 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000492795168 1036309542 /nfs/dbraw/zinc/30/95/42/1036309542.db2.gz OPGQYSVZECGNOX-CLFYSBASSA-N 1 2 347.409 3.676 20 0 EHADLO O=C(/C=C\c1cc2ccccc2o1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492796613 1036313229 /nfs/dbraw/zinc/31/32/29/1036313229.db2.gz HFVWFCRATKAAPI-VURMDHGXSA-N 1 2 344.374 3.725 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCOCC(F)(F)F ZINC000191014075 1036326913 /nfs/dbraw/zinc/32/69/13/1036326913.db2.gz LBVNYRGRHWBUTI-UHFFFAOYSA-N 1 2 330.375 3.993 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105657 1036337750 /nfs/dbraw/zinc/33/77/50/1036337750.db2.gz YUBWOORAJPNPGM-MNOVXSKESA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105657 1036337770 /nfs/dbraw/zinc/33/77/70/1036337770.db2.gz YUBWOORAJPNPGM-MNOVXSKESA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457679953 1036385818 /nfs/dbraw/zinc/38/58/18/1036385818.db2.gz PCZTXJFTHIVKAJ-UZLBHIALSA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC000414273981 1036386705 /nfs/dbraw/zinc/38/67/05/1036386705.db2.gz UKPOIIXHIWWKKV-OAHLLOKOSA-N 1 2 349.360 3.630 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376379082 1036392943 /nfs/dbraw/zinc/39/29/43/1036392943.db2.gz WENQQQFCKZQHHM-LBPRGKRZSA-N 1 2 343.427 3.712 20 0 EHADLO COc1cc(C[N@H+](Cc2cc(F)c(F)cc2F)C2CC2)ccc1O ZINC000191510741 1036405523 /nfs/dbraw/zinc/40/55/23/1036405523.db2.gz FAKQDFGLTWTRJH-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO COc1cc(C[N@@H+](Cc2cc(F)c(F)cc2F)C2CC2)ccc1O ZINC000191510741 1036405534 /nfs/dbraw/zinc/40/55/34/1036405534.db2.gz FAKQDFGLTWTRJH-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO O=C(/C=C/c1cccnc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000492929428 1036413606 /nfs/dbraw/zinc/41/36/06/1036413606.db2.gz PAHGKKRRRJESRJ-ZHACJKMWSA-N 1 2 344.418 3.933 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(-c3ncco3)cc2F)c1C ZINC000639925151 1036471807 /nfs/dbraw/zinc/47/18/07/1036471807.db2.gz RSOSKQYRPOFQIL-UHFFFAOYSA-N 1 2 342.418 3.946 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(-c3ncco3)cc2F)c1C ZINC000639925151 1036471820 /nfs/dbraw/zinc/47/18/20/1036471820.db2.gz RSOSKQYRPOFQIL-UHFFFAOYSA-N 1 2 342.418 3.946 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000414292285 1036503799 /nfs/dbraw/zinc/50/37/99/1036503799.db2.gz BYAAQCSUZIKSKX-QWHCGFSZSA-N 1 2 347.488 3.824 20 0 EHADLO Cc1nc(N[C@@H](c2ccncc2)C2CC2)c(Br)c(C)[nH+]1 ZINC000897423641 1036519148 /nfs/dbraw/zinc/51/91/48/1036519148.db2.gz NOBNCYHFASSAKK-CQSZACIVSA-N 1 2 333.233 3.814 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCNc2ccccc2C1 ZINC000589559415 1036524250 /nfs/dbraw/zinc/52/42/50/1036524250.db2.gz FDDJEJKVKXUMRF-UHFFFAOYSA-N 1 2 347.418 3.844 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000376406321 1036560705 /nfs/dbraw/zinc/56/07/05/1036560705.db2.gz CYJZLJXWOHMMOH-PPDQVPDSSA-N 1 2 330.472 3.815 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193146004 1036590053 /nfs/dbraw/zinc/59/00/53/1036590053.db2.gz CPAKAOUDJLMEHL-ZDUSSCGKSA-N 1 2 343.456 3.743 20 0 EHADLO Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(C)[nH+]1 ZINC000193183445 1036591397 /nfs/dbraw/zinc/59/13/97/1036591397.db2.gz QZBVYGQIUOPJDS-UHFFFAOYSA-N 1 2 346.434 3.934 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c(C)[nH+]1 ZINC000193183020 1036592541 /nfs/dbraw/zinc/59/25/41/1036592541.db2.gz ABZYLWDMNAFHTC-CQSZACIVSA-N 1 2 330.815 3.850 20 0 EHADLO O=C(/C=C\C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493052001 1036599240 /nfs/dbraw/zinc/59/92/40/1036599240.db2.gz PMEBWCAFLBXSBH-MQNTZWLQSA-N 1 2 327.472 3.672 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1nnc(-c2ccccc2)n1C)C1CC1 ZINC000535561694 1036664022 /nfs/dbraw/zinc/66/40/22/1036664022.db2.gz WFRSYNQELAGXSP-UHFFFAOYSA-N 1 2 332.451 3.955 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1nnc(-c2ccccc2)n1C)C1CC1 ZINC000535561694 1036664030 /nfs/dbraw/zinc/66/40/30/1036664030.db2.gz WFRSYNQELAGXSP-UHFFFAOYSA-N 1 2 332.451 3.955 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001168179370 1036678075 /nfs/dbraw/zinc/67/80/75/1036678075.db2.gz JSOUXBIMHNCTBF-QGZVFWFLSA-N 1 2 343.902 3.526 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000668824197 1036683624 /nfs/dbraw/zinc/68/36/24/1036683624.db2.gz OPXHIVMJZFXBFJ-ORAYPTAESA-N 1 2 349.425 3.734 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000668824197 1036683631 /nfs/dbraw/zinc/68/36/31/1036683631.db2.gz OPXHIVMJZFXBFJ-ORAYPTAESA-N 1 2 349.425 3.734 20 0 EHADLO C#CC[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032514279 1036737930 /nfs/dbraw/zinc/73/79/30/1036737930.db2.gz BZXMGQKHOLFNEL-MRXNPFEDSA-N 1 2 332.325 3.608 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000177010627 1036747784 /nfs/dbraw/zinc/74/77/84/1036747784.db2.gz RQSKWMWXXAUGII-CYBMUJFWSA-N 1 2 333.863 3.700 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000177010627 1036747804 /nfs/dbraw/zinc/74/78/04/1036747804.db2.gz RQSKWMWXXAUGII-CYBMUJFWSA-N 1 2 333.863 3.700 20 0 EHADLO CCC[N@H+](Cc1cn2ccccc2n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000102844106 1036776220 /nfs/dbraw/zinc/77/62/20/1036776220.db2.gz OHKZQISGTOTNHA-MRXNPFEDSA-N 1 2 336.439 3.574 20 0 EHADLO CCC[N@@H+](Cc1cn2ccccc2n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000102844106 1036776233 /nfs/dbraw/zinc/77/62/33/1036776233.db2.gz OHKZQISGTOTNHA-MRXNPFEDSA-N 1 2 336.439 3.574 20 0 EHADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000414341406 1036786732 /nfs/dbraw/zinc/78/67/32/1036786732.db2.gz LKBSQJITYUAFQF-RYUDHWBXSA-N 1 2 335.448 3.513 20 0 EHADLO CCCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000539485844 1036802120 /nfs/dbraw/zinc/80/21/20/1036802120.db2.gz GOKOGEWLOGTZGU-IBGZPJMESA-N 1 2 340.471 3.825 20 0 EHADLO COC[C@H](C)[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000462314417 1036807440 /nfs/dbraw/zinc/80/74/40/1036807440.db2.gz DDNZVINBXAOWMN-LSDHHAIUSA-N 1 2 341.455 3.744 20 0 EHADLO CC(C)n1ccc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000177405412 1036837371 /nfs/dbraw/zinc/83/73/71/1036837371.db2.gz SGQDVRWIMMBWRP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CC(C)n1ccc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000177405412 1036837388 /nfs/dbraw/zinc/83/73/88/1036837388.db2.gz SGQDVRWIMMBWRP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO COCCn1c(C)c(C)c2cc(C(=O)Nc3cc[nH+]c(C)c3)ccc21 ZINC000103186426 1036853228 /nfs/dbraw/zinc/85/32/28/1036853228.db2.gz WBZWJMKULWDPTE-UHFFFAOYSA-N 1 2 337.423 3.860 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054391243 1036868327 /nfs/dbraw/zinc/86/83/27/1036868327.db2.gz HTSIMHQDXVHJCL-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054391243 1036868346 /nfs/dbraw/zinc/86/83/46/1036868346.db2.gz HTSIMHQDXVHJCL-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464851712 1036897090 /nfs/dbraw/zinc/89/70/90/1036897090.db2.gz QLRTVPNISNYCGN-HIFRSBDPSA-N 1 2 332.469 3.739 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464851712 1036897106 /nfs/dbraw/zinc/89/71/06/1036897106.db2.gz QLRTVPNISNYCGN-HIFRSBDPSA-N 1 2 332.469 3.739 20 0 EHADLO O=C(/C=C\c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493213017 1036913598 /nfs/dbraw/zinc/91/35/98/1036913598.db2.gz CQMSDPAGURWICD-YUIUBULTSA-N 1 2 335.451 3.639 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC2(CCCC2)c2ccccc21 ZINC000177767313 1036930660 /nfs/dbraw/zinc/93/06/60/1036930660.db2.gz BGTAPBNOQCRAGB-UHFFFAOYSA-N 1 2 346.434 3.876 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000541980414 1036940397 /nfs/dbraw/zinc/94/03/97/1036940397.db2.gz AXYBNJMYVDWYPT-KRWDZBQOSA-N 1 2 326.371 3.612 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000162539273 1036944342 /nfs/dbraw/zinc/94/43/42/1036944342.db2.gz WWYJFCDXGFVHTH-SFHVURJKSA-N 1 2 331.847 3.974 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)c1 ZINC000177919385 1036966394 /nfs/dbraw/zinc/96/63/94/1036966394.db2.gz PJWYSVPGMXGUOM-MRXNPFEDSA-N 1 2 341.455 3.712 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532546 1036994920 /nfs/dbraw/zinc/99/49/20/1036994920.db2.gz VKQNSVNRNANFMK-ZIAGYGMSSA-N 1 2 348.541 3.884 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532546 1036994931 /nfs/dbraw/zinc/99/49/31/1036994931.db2.gz VKQNSVNRNANFMK-ZIAGYGMSSA-N 1 2 348.541 3.884 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590733651 1037035250 /nfs/dbraw/zinc/03/52/50/1037035250.db2.gz SKFXCXLEOZYQNE-SFHVURJKSA-N 1 2 341.455 3.785 20 0 EHADLO CCC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000464980204 1037045498 /nfs/dbraw/zinc/04/54/98/1037045498.db2.gz JZMLDXDMBBRZAO-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590799483 1037063139 /nfs/dbraw/zinc/06/31/39/1037063139.db2.gz CLHFNFDFMZAVLO-CQSZACIVSA-N 1 2 338.333 3.771 20 0 EHADLO O=[S@](CC[NH2+][C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104679749 1037065225 /nfs/dbraw/zinc/06/52/25/1037065225.db2.gz LBXIKNFZMDGFKZ-HXOBKFHXSA-N 1 2 342.489 3.630 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000666456603 1037073935 /nfs/dbraw/zinc/07/39/35/1037073935.db2.gz PJGCOUVDBGNKDE-SFHVURJKSA-N 1 2 339.439 3.640 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000590846140 1037079437 /nfs/dbraw/zinc/07/94/37/1037079437.db2.gz LNHMPRZXGOHBES-ZWKOTPCHSA-N 1 2 326.444 3.689 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000590846916 1037079581 /nfs/dbraw/zinc/07/95/81/1037079581.db2.gz VWEPQDICWLYZDE-HOCLYGCPSA-N 1 2 338.411 3.737 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000590848050 1037083381 /nfs/dbraw/zinc/08/33/81/1037083381.db2.gz FTBMOEAMTMSPIC-QZTJIDSGSA-N 1 2 344.434 3.766 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168456833 1037117288 /nfs/dbraw/zinc/11/72/88/1037117288.db2.gz WYXDOJLWXDREPU-HNAYVOBHSA-N 1 2 329.415 3.521 20 0 EHADLO Cc1cc(NC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c(C)c[nH+]1 ZINC000666496162 1037150872 /nfs/dbraw/zinc/15/08/72/1037150872.db2.gz KJRPXXLMZYUYAZ-QGZVFWFLSA-N 1 2 325.412 3.863 20 0 EHADLO CCCOc1cccc2c(NCCOC[C@@H]3CCCO3)cc[nH+]c12 ZINC000539813794 1037229540 /nfs/dbraw/zinc/22/95/40/1037229540.db2.gz ZYYHEWICJVFTTR-HNNXBMFYSA-N 1 2 330.428 3.631 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]nc1-c1ccccc1F ZINC000087225534 1037236311 /nfs/dbraw/zinc/23/63/11/1037236311.db2.gz VBFALVJOERALEY-UHFFFAOYSA-N 1 2 347.353 3.858 20 0 EHADLO CCOC(=O)c1ccc(CNc2cc[nH+]c3c(OC)cccc23)o1 ZINC000614820337 1037284096 /nfs/dbraw/zinc/28/40/96/1037284096.db2.gz IDSFYGVMCMGQOL-UHFFFAOYSA-N 1 2 326.352 3.625 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395570 1037316720 /nfs/dbraw/zinc/31/67/20/1037316720.db2.gz KHLYUJMDNMPBPT-CABCVRRESA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395570 1037316730 /nfs/dbraw/zinc/31/67/30/1037316730.db2.gz KHLYUJMDNMPBPT-CABCVRRESA-N 1 2 349.521 3.838 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000532452504 1037317277 /nfs/dbraw/zinc/31/72/77/1037317277.db2.gz BHBCOSIZKRBBIJ-YWZLYKJASA-N 1 2 349.434 3.632 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)CCC(F)(F)F)c1 ZINC000088433349 1037369165 /nfs/dbraw/zinc/36/91/65/1037369165.db2.gz PUIFJYMACYTRQD-UHFFFAOYSA-N 1 2 326.156 3.842 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)CCC(F)(F)F)c1 ZINC000088433349 1037369184 /nfs/dbraw/zinc/36/91/84/1037369184.db2.gz PUIFJYMACYTRQD-UHFFFAOYSA-N 1 2 326.156 3.842 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(C(F)(F)F)c1 ZINC001143479040 1037375317 /nfs/dbraw/zinc/37/53/17/1037375317.db2.gz PXNOYFBDRNORAA-MRXNPFEDSA-N 1 2 337.345 3.841 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(C(F)(F)F)c1 ZINC001143479040 1037375332 /nfs/dbraw/zinc/37/53/32/1037375332.db2.gz PXNOYFBDRNORAA-MRXNPFEDSA-N 1 2 337.345 3.841 20 0 EHADLO CS[C@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301288063 1037377791 /nfs/dbraw/zinc/37/77/91/1037377791.db2.gz NPZONZYXXBCBNW-HIFRSBDPSA-N 1 2 339.468 3.902 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1nc(-c2ccccc2)no1)CC1CC1 ZINC000177163362 1037403646 /nfs/dbraw/zinc/40/36/46/1037403646.db2.gz ONJYAGKJYMVVJE-UHFFFAOYSA-N 1 2 325.334 3.901 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1nc(-c2ccccc2)no1)CC1CC1 ZINC000177163362 1037403670 /nfs/dbraw/zinc/40/36/70/1037403670.db2.gz ONJYAGKJYMVVJE-UHFFFAOYSA-N 1 2 325.334 3.901 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000493486802 1037407345 /nfs/dbraw/zinc/40/73/45/1037407345.db2.gz RQCSPDYEIUVHBX-SNAWJCMRSA-N 1 2 333.794 3.564 20 0 EHADLO CCCn1c2ccc(Cl)cc2nc1SCC[NH+]1CCOCC1 ZINC000913593499 1037428847 /nfs/dbraw/zinc/42/88/47/1037428847.db2.gz VNJNPWCHHUHPEN-UHFFFAOYSA-N 1 2 339.892 3.524 20 0 EHADLO c1ccc(-c2nsc(NCCCCC[NH+]3CCCCC3)n2)cc1 ZINC000462840258 1037463030 /nfs/dbraw/zinc/46/30/30/1037463030.db2.gz QPPYASTWHYCOKB-UHFFFAOYSA-N 1 2 330.501 3.695 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376532600 1037480298 /nfs/dbraw/zinc/48/02/98/1037480298.db2.gz RYBAGXZMXVBSAX-HNNXBMFYSA-N 1 2 349.475 3.986 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376532600 1037480312 /nfs/dbraw/zinc/48/03/12/1037480312.db2.gz RYBAGXZMXVBSAX-HNNXBMFYSA-N 1 2 349.475 3.986 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000079775350 1037480489 /nfs/dbraw/zinc/48/04/89/1037480489.db2.gz YKUPWAUVDNKLGE-HXUWFJFHSA-N 1 2 333.435 3.928 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000573393227 1037505379 /nfs/dbraw/zinc/50/53/79/1037505379.db2.gz WFPMCKQJABNSPY-UHFFFAOYSA-N 1 2 336.435 3.813 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000573393227 1037505392 /nfs/dbraw/zinc/50/53/92/1037505392.db2.gz WFPMCKQJABNSPY-UHFFFAOYSA-N 1 2 336.435 3.813 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC(Cc3cccnc3)CC2)no1 ZINC000540042557 1037511188 /nfs/dbraw/zinc/51/11/88/1037511188.db2.gz QQHITTGRRKZRIM-UHFFFAOYSA-N 1 2 348.450 3.895 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491503028 1037512461 /nfs/dbraw/zinc/51/24/61/1037512461.db2.gz BJBABVPGHKRXCM-JXMROGBWSA-N 1 2 335.407 3.916 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000493615141 1037516870 /nfs/dbraw/zinc/51/68/70/1037516870.db2.gz JHYHKVGBNZLVLR-NAYCQUOUSA-N 1 2 335.329 3.504 20 0 EHADLO CC[NH+](CC)Cc1nc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)no1 ZINC000491489092 1037520235 /nfs/dbraw/zinc/52/02/35/1037520235.db2.gz UYYAWQANYFWFOQ-CYBMUJFWSA-N 1 2 340.468 3.523 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000532485964 1037525534 /nfs/dbraw/zinc/52/55/34/1037525534.db2.gz QRAKQQBDSDUZQC-SJLPKXTDSA-N 1 2 328.456 3.828 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000532485964 1037525546 /nfs/dbraw/zinc/52/55/46/1037525546.db2.gz QRAKQQBDSDUZQC-SJLPKXTDSA-N 1 2 328.456 3.828 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000613546405 1037528237 /nfs/dbraw/zinc/52/82/37/1037528237.db2.gz XXGQYWVKAWESBG-GFCCVEGCSA-N 1 2 348.434 3.932 20 0 EHADLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc[nH]1 ZINC000760863921 1037535088 /nfs/dbraw/zinc/53/50/88/1037535088.db2.gz COLNDIJDZKKXIC-JVPBZIDWSA-N 1 2 349.438 3.500 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000493685360 1037542081 /nfs/dbraw/zinc/54/20/81/1037542081.db2.gz KMHDAPLSLJQNSM-BQYQJAHWSA-N 1 2 337.345 3.536 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000172642216 1037568399 /nfs/dbraw/zinc/56/83/99/1037568399.db2.gz SIHBAAUMAHSAHU-SFHVURJKSA-N 1 2 347.397 3.898 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccccc1Cl ZINC000493703268 1037570567 /nfs/dbraw/zinc/57/05/67/1037570567.db2.gz FDQNSODJNUCGNB-KTKRTIGZSA-N 1 2 329.831 3.545 20 0 EHADLO Cc1nnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000102656712 1037582482 /nfs/dbraw/zinc/58/24/82/1037582482.db2.gz XUPZCYSHHXXFMS-OAHLLOKOSA-N 1 2 338.377 3.870 20 0 EHADLO Cc1nnc(C[N@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000102656712 1037582494 /nfs/dbraw/zinc/58/24/94/1037582494.db2.gz XUPZCYSHHXXFMS-OAHLLOKOSA-N 1 2 338.377 3.870 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000493727899 1037584597 /nfs/dbraw/zinc/58/45/97/1037584597.db2.gz QXUMMEAGKYYOSA-AATRIKPKSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)c(F)cc1F ZINC000105047822 1037598123 /nfs/dbraw/zinc/59/81/23/1037598123.db2.gz CPOPSMBXGMVDLN-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000540148491 1037605860 /nfs/dbraw/zinc/60/58/60/1037605860.db2.gz QCYKRCQBJDXHSE-ZMZPIMSZSA-N 1 2 340.377 3.773 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000540148491 1037605866 /nfs/dbraw/zinc/60/58/66/1037605866.db2.gz QCYKRCQBJDXHSE-ZMZPIMSZSA-N 1 2 340.377 3.773 20 0 EHADLO O=C(/C=C\c1cc2ccccc2o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000493843460 1037660840 /nfs/dbraw/zinc/66/08/40/1037660840.db2.gz JXBNLFUJUOCQAN-OOFWQKGWSA-N 1 2 334.375 3.521 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132636 1037689299 /nfs/dbraw/zinc/68/92/99/1037689299.db2.gz DGIYJWVDPVPUDS-CABCVRRESA-N 1 2 327.428 3.831 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132636 1037689302 /nfs/dbraw/zinc/68/93/02/1037689302.db2.gz DGIYJWVDPVPUDS-CABCVRRESA-N 1 2 327.428 3.831 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCn1cc[nH+]c1 ZINC000491829469 1037698193 /nfs/dbraw/zinc/69/81/93/1037698193.db2.gz ZZEXZPCZSMYISW-VOTSOKGWSA-N 1 2 337.345 3.512 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000463064861 1037716927 /nfs/dbraw/zinc/71/69/27/1037716927.db2.gz RKCSQYKWHWIBPB-AZUAARDMSA-N 1 2 337.467 3.973 20 0 EHADLO Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152810396 1037729352 /nfs/dbraw/zinc/72/93/52/1037729352.db2.gz HTQRSOWYFMKJHU-UHFFFAOYSA-N 1 2 342.424 3.733 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000429727289 1037734961 /nfs/dbraw/zinc/73/49/61/1037734961.db2.gz WLCPSQQUVUXVJU-MRXNPFEDSA-N 1 2 343.452 3.648 20 0 EHADLO Cc1ccc(Br)cc1-c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000573687845 1037745837 /nfs/dbraw/zinc/74/58/37/1037745837.db2.gz DNMJZGXVVAWILF-NSHDSACASA-N 1 2 347.216 3.808 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)CCCc1ccccc1 ZINC000493962071 1037747800 /nfs/dbraw/zinc/74/78/00/1037747800.db2.gz SNUUJPKAQRICFG-UHFFFAOYSA-N 1 2 327.472 3.781 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)[C@@H]1SC ZINC000591990076 1037779124 /nfs/dbraw/zinc/77/91/24/1037779124.db2.gz DBTVKSNHNCWKTL-NFAWXSAZSA-N 1 2 346.431 3.571 20 0 EHADLO Cc1nc2ccc(C[NH2+][C@@H](CO)c3c(F)cccc3F)cc2s1 ZINC000494061061 1037804923 /nfs/dbraw/zinc/80/49/23/1037804923.db2.gz SYMMLKREXVQIFA-HNNXBMFYSA-N 1 2 334.391 3.706 20 0 EHADLO COc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc12 ZINC000378070150 1037811028 /nfs/dbraw/zinc/81/10/28/1037811028.db2.gz AAFXGINXCDSXGO-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO COc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccccc12 ZINC000378070150 1037811054 /nfs/dbraw/zinc/81/10/54/1037811054.db2.gz AAFXGINXCDSXGO-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096444 1037815933 /nfs/dbraw/zinc/81/59/33/1037815933.db2.gz LAZMIDGSZYJORE-AEFFLSMTSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096444 1037815952 /nfs/dbraw/zinc/81/59/52/1037815952.db2.gz LAZMIDGSZYJORE-AEFFLSMTSA-N 1 2 336.426 3.653 20 0 EHADLO CCOC(=O)c1csc(C[NH2+]C2(c3cccc(F)c3)CCC2)n1 ZINC000592145179 1037846602 /nfs/dbraw/zinc/84/66/02/1037846602.db2.gz QLUSESPHPBFNIU-UHFFFAOYSA-N 1 2 334.416 3.628 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncncc2-c2ccccc2)c1C ZINC000540345991 1037849363 /nfs/dbraw/zinc/84/93/63/1037849363.db2.gz VKOKKBCLIQTOGN-UHFFFAOYSA-N 1 2 334.423 3.800 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2OC(C)C)oc1C ZINC000053351127 1037876199 /nfs/dbraw/zinc/87/61/99/1037876199.db2.gz VJCONNPUVNOCAS-UHFFFAOYSA-N 1 2 331.412 3.794 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2OC(C)C)oc1C ZINC000053351127 1037876220 /nfs/dbraw/zinc/87/62/20/1037876220.db2.gz VJCONNPUVNOCAS-UHFFFAOYSA-N 1 2 331.412 3.794 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccsc3)nc(=O)c2c1C ZINC000128414526 1037927077 /nfs/dbraw/zinc/92/70/77/1037927077.db2.gz XEMGBBLTCYEDDJ-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccsc3)nc(=O)c2c1C ZINC000128414526 1037927092 /nfs/dbraw/zinc/92/70/92/1037927092.db2.gz XEMGBBLTCYEDDJ-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000378113428 1037927514 /nfs/dbraw/zinc/92/75/14/1037927514.db2.gz PWYYEBNMGQAFTI-HXUWFJFHSA-N 1 2 345.446 3.642 20 0 EHADLO Cc1ccc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)cc1 ZINC000573967013 1037957156 /nfs/dbraw/zinc/95/71/56/1037957156.db2.gz BBGBNDVSYWXUED-UHFFFAOYSA-N 1 2 330.391 3.881 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCc2ccc(OC3COC3)cc2)c1C ZINC001168461755 1037993181 /nfs/dbraw/zinc/99/31/81/1037993181.db2.gz HHZKXJLFVOGOOD-UHFFFAOYSA-N 1 2 341.455 3.781 20 0 EHADLO CC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccc(F)cc1 ZINC000184107835 1038005502 /nfs/dbraw/zinc/00/55/02/1038005502.db2.gz ALNLRDSTNZHQDC-QGZVFWFLSA-N 1 2 344.430 3.998 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000174759271 1038007914 /nfs/dbraw/zinc/00/79/14/1038007914.db2.gz WMCVZBMROXIQAU-UHFFFAOYSA-N 1 2 343.789 3.842 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc(OC(F)F)cc1 ZINC000058497702 1038023089 /nfs/dbraw/zinc/02/30/89/1038023089.db2.gz AMWYEBVWXWLPOM-UHFFFAOYSA-N 1 2 340.757 3.973 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336878383 1038026564 /nfs/dbraw/zinc/02/65/64/1038026564.db2.gz DWHOMIOEIZUURZ-WOSRLPQWSA-N 1 2 347.484 3.708 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336878383 1038026583 /nfs/dbraw/zinc/02/65/83/1038026583.db2.gz DWHOMIOEIZUURZ-WOSRLPQWSA-N 1 2 347.484 3.708 20 0 EHADLO COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000106761075 1038191055 /nfs/dbraw/zinc/19/10/55/1038191055.db2.gz FEPXWGYKYZOYSK-ROUUACIJSA-N 1 2 333.391 3.828 20 0 EHADLO Cc1sc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c(C)c1C ZINC000124925500 1038254035 /nfs/dbraw/zinc/25/40/35/1038254035.db2.gz XRHCLZDSGBSYLH-UHFFFAOYSA-N 1 2 329.469 3.671 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c(C)c1C ZINC000124925500 1038254054 /nfs/dbraw/zinc/25/40/54/1038254054.db2.gz XRHCLZDSGBSYLH-UHFFFAOYSA-N 1 2 329.469 3.671 20 0 EHADLO Cc1cc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc[nH+]1 ZINC000125151475 1038286031 /nfs/dbraw/zinc/28/60/31/1038286031.db2.gz UWYBWDUZIKIHQP-UHFFFAOYSA-N 1 2 331.375 3.639 20 0 EHADLO Cc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043135125 1038291310 /nfs/dbraw/zinc/29/13/10/1038291310.db2.gz MISZSRLJDGHFRC-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](OC(F)F)C3)n2)ccc1F ZINC000549407586 1038336778 /nfs/dbraw/zinc/33/67/78/1038336778.db2.gz FUOBUNJYUOFFJP-JQWIXIFHSA-N 1 2 341.333 3.559 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](OC(F)F)C3)n2)ccc1F ZINC000549407586 1038336793 /nfs/dbraw/zinc/33/67/93/1038336793.db2.gz FUOBUNJYUOFFJP-JQWIXIFHSA-N 1 2 341.333 3.559 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)n1 ZINC000378266644 1038346553 /nfs/dbraw/zinc/34/65/53/1038346553.db2.gz RUIOOCRFECZZTF-AWEZNQCLSA-N 1 2 341.455 3.777 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCc3ccc(C(C)=O)cc3CC2)n1 ZINC000378266644 1038346568 /nfs/dbraw/zinc/34/65/68/1038346568.db2.gz RUIOOCRFECZZTF-AWEZNQCLSA-N 1 2 341.455 3.777 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc4ccsc43)n2)C1 ZINC000274361577 1038373913 /nfs/dbraw/zinc/37/39/13/1038373913.db2.gz WJOCQECAPXKCKI-CQSZACIVSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc4ccsc43)n2)C1 ZINC000274361577 1038373924 /nfs/dbraw/zinc/37/39/24/1038373924.db2.gz WJOCQECAPXKCKI-CQSZACIVSA-N 1 2 329.425 3.733 20 0 EHADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)COc1cc(Cl)ccc1Cl ZINC000398099692 1038420232 /nfs/dbraw/zinc/42/02/32/1038420232.db2.gz YQJINXLQCJTRMH-MFKMUULPSA-N 1 2 340.197 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)c(C)[nH+]1 ZINC000667119138 1038457424 /nfs/dbraw/zinc/45/74/24/1038457424.db2.gz JXRVBZSTYLAMEG-RTBURBONSA-N 1 2 341.455 3.887 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)n1 ZINC000538713123 1038484474 /nfs/dbraw/zinc/48/44/74/1038484474.db2.gz YVIBTYHWYXAPDZ-CYBMUJFWSA-N 1 2 347.484 3.880 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)n1 ZINC000538717634 1038488445 /nfs/dbraw/zinc/48/84/45/1038488445.db2.gz ODXUYIXAERUWAY-LPHOPBHVSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)n1 ZINC000538717634 1038488451 /nfs/dbraw/zinc/48/84/51/1038488451.db2.gz ODXUYIXAERUWAY-LPHOPBHVSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccc([C@H]2CCCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651368597 1038584801 /nfs/dbraw/zinc/58/48/01/1038584801.db2.gz CWNNAJJVLSVGDB-QGZVFWFLSA-N 1 2 341.455 3.807 20 0 EHADLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000538911458 1038591731 /nfs/dbraw/zinc/59/17/31/1038591731.db2.gz JLNDZEVBWATAHK-CYBMUJFWSA-N 1 2 339.361 3.885 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1C ZINC000728747285 1038595420 /nfs/dbraw/zinc/59/54/20/1038595420.db2.gz IJJSDNIXPXEWFO-JKSUJKDBSA-N 1 2 333.476 3.721 20 0 EHADLO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000667175295 1038618884 /nfs/dbraw/zinc/61/88/84/1038618884.db2.gz FUTRSYXYRSULSU-LZLYRXPVSA-N 1 2 332.492 3.692 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3Cc3ccccc3C)ccn12 ZINC000566441597 1038672840 /nfs/dbraw/zinc/67/28/40/1038672840.db2.gz HMLJOGUXRDICDO-IBGZPJMESA-N 1 2 333.435 3.798 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccsc1)Cc1ccccc1Cl ZINC000042157239 1038697293 /nfs/dbraw/zinc/69/72/93/1038697293.db2.gz HJJHYNCSJGJDIH-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccsc1)Cc1ccccc1Cl ZINC000042157239 1038697299 /nfs/dbraw/zinc/69/72/99/1038697299.db2.gz HJJHYNCSJGJDIH-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2ncnn2C(C)C)cc1Cl ZINC000631118533 1038720722 /nfs/dbraw/zinc/72/07/22/1038720722.db2.gz KPDFNLRFTRIXJK-UHFFFAOYSA-N 1 2 336.867 3.981 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2n[nH]cc2Br)C(C)C)cc1 ZINC000539218243 1038736049 /nfs/dbraw/zinc/73/60/49/1038736049.db2.gz USEUXAFIZVSMJP-OAHLLOKOSA-N 1 2 338.249 3.668 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1 ZINC000539227532 1038740678 /nfs/dbraw/zinc/74/06/78/1038740678.db2.gz UKPXJFYYLUWEBO-NEPJUHHUSA-N 1 2 336.357 3.632 20 0 EHADLO c1csc(-c2cc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)no2)c1 ZINC000539334023 1038782654 /nfs/dbraw/zinc/78/26/54/1038782654.db2.gz UJFJOBMEXHHGDC-UHFFFAOYSA-N 1 2 340.404 3.911 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000462186414 1038824659 /nfs/dbraw/zinc/82/46/59/1038824659.db2.gz FYMABJZMFCBINT-LSDHHAIUSA-N 1 2 335.517 3.715 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000462224814 1038861557 /nfs/dbraw/zinc/86/15/57/1038861557.db2.gz UDYYIQMPOMASDV-GOEBONIOSA-N 1 2 335.517 3.715 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000462219910 1038882573 /nfs/dbraw/zinc/88/25/73/1038882573.db2.gz BMPZRDHQZDYICM-HNNXBMFYSA-N 1 2 347.528 3.717 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000178366321 1038937992 /nfs/dbraw/zinc/93/79/92/1038937992.db2.gz VVWPMSHNXUZNBE-QUCCMNQESA-N 1 2 343.492 3.733 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000178366321 1038938003 /nfs/dbraw/zinc/93/80/03/1038938003.db2.gz VVWPMSHNXUZNBE-QUCCMNQESA-N 1 2 343.492 3.733 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)[C@H]1CC1(C)C ZINC000416730083 1038950138 /nfs/dbraw/zinc/95/01/38/1038950138.db2.gz LHTZIKYTXTWXJA-HZPDHXFCSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CC=C(c3ccnn3C)CC2)o1 ZINC000552143037 1039019579 /nfs/dbraw/zinc/01/95/79/1039019579.db2.gz GGPHFCFTPVOZAC-UHFFFAOYSA-N 1 2 334.423 3.673 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CC=C(c3ccnn3C)CC2)o1 ZINC000552143037 1039019601 /nfs/dbraw/zinc/01/96/01/1039019601.db2.gz GGPHFCFTPVOZAC-UHFFFAOYSA-N 1 2 334.423 3.673 20 0 EHADLO Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000488264850 1039021617 /nfs/dbraw/zinc/02/16/17/1039021617.db2.gz PBRFUPHUVSSKIT-UHFFFAOYSA-N 1 2 349.419 3.587 20 0 EHADLO CCn1ncnc1C[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC000488293061 1039060827 /nfs/dbraw/zinc/06/08/27/1039060827.db2.gz YAMOTSJJNIAZGA-KRWDZBQOSA-N 1 2 342.487 3.646 20 0 EHADLO CCn1ncnc1C[N@@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC000488293061 1039060843 /nfs/dbraw/zinc/06/08/43/1039060843.db2.gz YAMOTSJJNIAZGA-KRWDZBQOSA-N 1 2 342.487 3.646 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000910817512 1039094614 /nfs/dbraw/zinc/09/46/14/1039094614.db2.gz LLAUSLFAJCQIQK-GFCCVEGCSA-N 1 2 337.345 3.517 20 0 EHADLO COc1ccccc1/C=C\C[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898470779 1039101762 /nfs/dbraw/zinc/10/17/62/1039101762.db2.gz MLWXRPIMSRCYQN-JKUMZLIPSA-N 1 2 342.405 3.665 20 0 EHADLO COc1ccccc1/C=C\C[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898470779 1039101779 /nfs/dbraw/zinc/10/17/79/1039101779.db2.gz MLWXRPIMSRCYQN-JKUMZLIPSA-N 1 2 342.405 3.665 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667276065 1039119857 /nfs/dbraw/zinc/11/98/57/1039119857.db2.gz WPCJVBCRQAUCNS-LPHOPBHVSA-N 1 2 338.455 3.616 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cncc(F)c1 ZINC000554264089 1039135243 /nfs/dbraw/zinc/13/52/43/1039135243.db2.gz LYJGIOJXGYVOCQ-PVAVHDDUSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(F)c1 ZINC000554264089 1039135250 /nfs/dbraw/zinc/13/52/50/1039135250.db2.gz LYJGIOJXGYVOCQ-PVAVHDDUSA-N 1 2 334.435 3.696 20 0 EHADLO COc1ncccc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000488407195 1039141671 /nfs/dbraw/zinc/14/16/71/1039141671.db2.gz MICXMDVOROJABS-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1ncccc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000488407195 1039141681 /nfs/dbraw/zinc/14/16/81/1039141681.db2.gz MICXMDVOROJABS-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898498637 1039147699 /nfs/dbraw/zinc/14/76/99/1039147699.db2.gz KMWJBVCIOYEAAN-CYBMUJFWSA-N 1 2 344.883 3.616 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898498637 1039147709 /nfs/dbraw/zinc/14/77/09/1039147709.db2.gz KMWJBVCIOYEAAN-CYBMUJFWSA-N 1 2 344.883 3.616 20 0 EHADLO Cn1cc(Br)c(C[NH+]2CCC(C)(c3ccccc3)CC2)n1 ZINC000432779723 1039157209 /nfs/dbraw/zinc/15/72/09/1039157209.db2.gz INSRLCVDDNKLKM-UHFFFAOYSA-N 1 2 348.288 3.736 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2nc3ccccc3nc2C)CCCCC1 ZINC000478043864 1039164807 /nfs/dbraw/zinc/16/48/07/1039164807.db2.gz WDTVKTVRSAFFCS-UHFFFAOYSA-N 1 2 341.455 3.636 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2nc3ccccc3nc2C)CCCCC1 ZINC000478043864 1039164818 /nfs/dbraw/zinc/16/48/18/1039164818.db2.gz WDTVKTVRSAFFCS-UHFFFAOYSA-N 1 2 341.455 3.636 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+](C)Cc2nc3ccccc3o2)oc1C ZINC000432785497 1039178755 /nfs/dbraw/zinc/17/87/55/1039178755.db2.gz UMTMSDKHIMXGAS-NSHDSACASA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+](C)Cc2nc3ccccc3o2)oc1C ZINC000432785497 1039178765 /nfs/dbraw/zinc/17/87/65/1039178765.db2.gz UMTMSDKHIMXGAS-NSHDSACASA-N 1 2 328.368 3.709 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)[nH+]1 ZINC000906047078 1039264759 /nfs/dbraw/zinc/26/47/59/1039264759.db2.gz DUANNYNHLOMXEQ-HXUWFJFHSA-N 1 2 338.451 3.593 20 0 EHADLO CCc1onc(C)c1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000927138149 1039309585 /nfs/dbraw/zinc/30/95/85/1039309585.db2.gz CUIXSSVBGSTRDH-LLVKDONJSA-N 1 2 332.835 3.936 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000552570078 1039369199 /nfs/dbraw/zinc/36/91/99/1039369199.db2.gz VJYITHNMDIHRAO-MWLCHTKSSA-N 1 2 328.243 3.971 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(Br)s1 ZINC000480285499 1039395946 /nfs/dbraw/zinc/39/59/46/1039395946.db2.gz BLNFGIGQOMWDQV-SECBINFHSA-N 1 2 343.294 3.708 20 0 EHADLO CC(C)Oc1cncc(-c2ccc(NCCCn3cc[nH+]c3)nc2)c1 ZINC000906196760 1039402806 /nfs/dbraw/zinc/40/28/06/1039402806.db2.gz UCQPRBYQXYASAS-UHFFFAOYSA-N 1 2 337.427 3.630 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)[nH]1 ZINC000432820230 1039415078 /nfs/dbraw/zinc/41/50/78/1039415078.db2.gz CMZSKBCHXDFLNB-AWEZNQCLSA-N 1 2 330.501 3.716 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)[nH]1 ZINC000432820230 1039415083 /nfs/dbraw/zinc/41/50/83/1039415083.db2.gz CMZSKBCHXDFLNB-AWEZNQCLSA-N 1 2 330.501 3.716 20 0 EHADLO Fc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)o2)cc1 ZINC000485704850 1039429164 /nfs/dbraw/zinc/42/91/64/1039429164.db2.gz ZPPPUXHHDUKSPO-IBGZPJMESA-N 1 2 345.414 3.713 20 0 EHADLO Fc1ccc(-c2ccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)o2)cc1 ZINC000485704850 1039429173 /nfs/dbraw/zinc/42/91/73/1039429173.db2.gz ZPPPUXHHDUKSPO-IBGZPJMESA-N 1 2 345.414 3.713 20 0 EHADLO COc1cc(C)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c(C)c1C ZINC000554551097 1039454192 /nfs/dbraw/zinc/45/41/92/1039454192.db2.gz CUQBJJHNNYMYCI-UHFFFAOYSA-N 1 2 338.411 3.590 20 0 EHADLO O=C([C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666221 1039469009 /nfs/dbraw/zinc/46/90/09/1039469009.db2.gz GALFDZYCKUKYPF-QUCCMNQESA-N 1 2 337.467 3.706 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)C2 ZINC000554579887 1039505509 /nfs/dbraw/zinc/50/55/09/1039505509.db2.gz NFWQLVBQQHNSBC-CHWSQXEVSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)CC2 ZINC000554579887 1039505519 /nfs/dbraw/zinc/50/55/19/1039505519.db2.gz NFWQLVBQQHNSBC-CHWSQXEVSA-N 1 2 339.430 3.580 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)oc1C ZINC000432848719 1039532612 /nfs/dbraw/zinc/53/26/12/1039532612.db2.gz XHYJCMNOXDKJOG-BMIGLBTASA-N 1 2 334.441 3.941 20 0 EHADLO Cc1cccc(C[NH+]2CCN(CCCC(=O)c3ccccc3)CC2)c1 ZINC000552794619 1039533884 /nfs/dbraw/zinc/53/38/84/1039533884.db2.gz LJWCWTHZLZAASA-UHFFFAOYSA-N 1 2 336.479 3.776 20 0 EHADLO CC(C)Cn1ncc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000554660123 1039576833 /nfs/dbraw/zinc/57/68/33/1039576833.db2.gz DRHIJTRAQSMIPW-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667371241 1039606012 /nfs/dbraw/zinc/60/60/12/1039606012.db2.gz ZXWKNYYMEYOMPP-ZDUSSCGKSA-N 1 2 333.461 3.640 20 0 EHADLO CCc1cc(N2CCn3c(cc4ccc(Cl)cc43)C2)nc(C)[nH+]1 ZINC000447670122 1039633720 /nfs/dbraw/zinc/63/37/20/1039633720.db2.gz IFORRANJQGRNGI-UHFFFAOYSA-N 1 2 326.831 3.976 20 0 EHADLO Cc1nc(NCc2ccc3c(n2)CCCC3)c(Br)c(C)[nH+]1 ZINC000663846978 1039638540 /nfs/dbraw/zinc/63/85/40/1039638540.db2.gz OALAUBBYGNBEDD-UHFFFAOYSA-N 1 2 347.260 3.742 20 0 EHADLO COc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1OCC(C)C ZINC000554719541 1039640673 /nfs/dbraw/zinc/64/06/73/1039640673.db2.gz YGCDPMGUKDTIBJ-UHFFFAOYSA-N 1 2 344.455 3.887 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(C(F)(F)F)nn2C)c1 ZINC000667688958 1039652248 /nfs/dbraw/zinc/65/22/48/1039652248.db2.gz JYYUCNPLRXOHKE-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)c1 ZINC000667688958 1039652261 /nfs/dbraw/zinc/65/22/61/1039652261.db2.gz JYYUCNPLRXOHKE-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000536237421 1039664169 /nfs/dbraw/zinc/66/41/69/1039664169.db2.gz GHNLUTOLZWVVAC-INIZCTEOSA-N 1 2 349.272 3.998 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000536237421 1039664179 /nfs/dbraw/zinc/66/41/79/1039664179.db2.gz GHNLUTOLZWVVAC-INIZCTEOSA-N 1 2 349.272 3.998 20 0 EHADLO CCc1cc(N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)nc(CC)[nH+]1 ZINC000893743418 1039670831 /nfs/dbraw/zinc/67/08/31/1039670831.db2.gz FIAOHXAFJLZOFZ-ZDUSSCGKSA-N 1 2 347.484 3.568 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898900136 1039672989 /nfs/dbraw/zinc/67/29/89/1039672989.db2.gz UFAODOTUNQWOHH-UHFFFAOYSA-N 1 2 331.803 3.756 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3c(Cl)cccc23)[C@H]1n1cccn1 ZINC000549684940 1039674150 /nfs/dbraw/zinc/67/41/50/1039674150.db2.gz YJJRDNGNDJKHFU-JFIYKMOQSA-N 1 2 342.830 3.915 20 0 EHADLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000898902491 1039679218 /nfs/dbraw/zinc/67/92/18/1039679218.db2.gz PDIHSIYPJQZQHN-NSHDSACASA-N 1 2 340.254 3.845 20 0 EHADLO FC(F)C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CCC1 ZINC000667695317 1039681622 /nfs/dbraw/zinc/68/16/22/1039681622.db2.gz OZBFXQWZEIGEDZ-KRWDZBQOSA-N 1 2 325.399 3.722 20 0 EHADLO FC(F)C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CCC1 ZINC000667695317 1039681627 /nfs/dbraw/zinc/68/16/27/1039681627.db2.gz OZBFXQWZEIGEDZ-KRWDZBQOSA-N 1 2 325.399 3.722 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000554761120 1039693018 /nfs/dbraw/zinc/69/30/18/1039693018.db2.gz MJWUSTXBLNGPPU-KSSFIOAISA-N 1 2 335.407 3.578 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3cccc(F)c3OC)CC2)c1 ZINC001143537229 1039709111 /nfs/dbraw/zinc/70/91/11/1039709111.db2.gz RZKISGRSXXXNEN-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000584760051 1039729670 /nfs/dbraw/zinc/72/96/70/1039729670.db2.gz JQPULVYSLCMEMD-ZBFHGGJFSA-N 1 2 342.487 3.701 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000584760051 1039729682 /nfs/dbraw/zinc/72/96/82/1039729682.db2.gz JQPULVYSLCMEMD-ZBFHGGJFSA-N 1 2 342.487 3.701 20 0 EHADLO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnc(-c2ccccc2F)s1 ZINC000554811211 1039750278 /nfs/dbraw/zinc/75/02/78/1039750278.db2.gz CSYIWHMTOSSMOU-NSHDSACASA-N 1 2 345.447 3.664 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000667409732 1039775762 /nfs/dbraw/zinc/77/57/62/1039775762.db2.gz FRFMXGLIKQYNCS-UHFFFAOYSA-N 1 2 334.420 3.613 20 0 EHADLO OCC[N@H+](Cc1cccs1)Cc1cc(OC(F)(F)F)ccc1F ZINC001143542618 1039789827 /nfs/dbraw/zinc/78/98/27/1039789827.db2.gz GLKWIDCBHKSONY-UHFFFAOYSA-N 1 2 349.349 3.780 20 0 EHADLO OCC[N@@H+](Cc1cccs1)Cc1cc(OC(F)(F)F)ccc1F ZINC001143542618 1039789838 /nfs/dbraw/zinc/78/98/38/1039789838.db2.gz GLKWIDCBHKSONY-UHFFFAOYSA-N 1 2 349.349 3.780 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1F ZINC000554842640 1039797296 /nfs/dbraw/zinc/79/72/96/1039797296.db2.gz AAOGODWPAPOYFE-CQSZACIVSA-N 1 2 344.352 3.819 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1F ZINC000554842640 1039797313 /nfs/dbraw/zinc/79/73/13/1039797313.db2.gz AAOGODWPAPOYFE-CQSZACIVSA-N 1 2 344.352 3.819 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc3c2ccn3C(F)F)c[nH+]1 ZINC000912305576 1039804451 /nfs/dbraw/zinc/80/44/51/1039804451.db2.gz ZKBCAMFPKPOBGP-UHFFFAOYSA-N 1 2 332.354 3.915 20 0 EHADLO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)CS1 ZINC000554867959 1039854116 /nfs/dbraw/zinc/85/41/16/1039854116.db2.gz XAPZPQGMCQVNLT-NUEKZKHPSA-N 1 2 331.485 3.841 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc[nH+]1 ZINC000486106286 1039883660 /nfs/dbraw/zinc/88/36/60/1039883660.db2.gz ZRFNOLHKIRIICJ-MRXNPFEDSA-N 1 2 332.403 3.885 20 0 EHADLO Cc1noc2ncc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4n3C)cc12 ZINC000893968066 1039898814 /nfs/dbraw/zinc/89/88/14/1039898814.db2.gz WHVNESMOEALIQU-GOSISDBHSA-N 1 2 347.422 3.755 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4n3C)cc12 ZINC000893968066 1039898839 /nfs/dbraw/zinc/89/88/39/1039898839.db2.gz WHVNESMOEALIQU-GOSISDBHSA-N 1 2 347.422 3.755 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000584805645 1039918812 /nfs/dbraw/zinc/91/88/12/1039918812.db2.gz AOSCFRUVQKYZRL-NRFANRHFSA-N 1 2 348.450 3.921 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000584805645 1039918825 /nfs/dbraw/zinc/91/88/25/1039918825.db2.gz AOSCFRUVQKYZRL-NRFANRHFSA-N 1 2 348.450 3.921 20 0 EHADLO Cc1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)s1 ZINC000651436051 1039943829 /nfs/dbraw/zinc/94/38/29/1039943829.db2.gz IZEUKWBJMLDBGX-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccnn2C2CCC2)C3)cc1 ZINC000894008104 1039947934 /nfs/dbraw/zinc/94/79/34/1039947934.db2.gz LRERWFKXBTZJQO-UHFFFAOYSA-N 1 2 347.466 3.661 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccnn2C2CCC2)C3)cc1 ZINC000894008104 1039947953 /nfs/dbraw/zinc/94/79/53/1039947953.db2.gz LRERWFKXBTZJQO-UHFFFAOYSA-N 1 2 347.466 3.661 20 0 EHADLO Cc1csc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)n1 ZINC000553309743 1039973173 /nfs/dbraw/zinc/97/31/73/1039973173.db2.gz CYNGXJGQQLBWDC-UHFFFAOYSA-N 1 2 344.871 3.980 20 0 EHADLO C[C@H](c1ccncc1)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393510 1040028966 /nfs/dbraw/zinc/02/89/66/1040028966.db2.gz VYCOTSYGSCVNOY-CRAIPNDOSA-N 1 2 334.423 3.546 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553386208 1040039187 /nfs/dbraw/zinc/03/91/87/1040039187.db2.gz YWWGBDBQPSTJNU-QGZVFWFLSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1ncoc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000894073539 1040052123 /nfs/dbraw/zinc/05/21/23/1040052123.db2.gz SQDYVSDXHGGOBS-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO Cc1ncoc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000894073539 1040052141 /nfs/dbraw/zinc/05/21/41/1040052141.db2.gz SQDYVSDXHGGOBS-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000907419747 1040052154 /nfs/dbraw/zinc/05/21/54/1040052154.db2.gz BQXBJELYFDGKNT-CQSZACIVSA-N 1 2 349.356 3.528 20 0 EHADLO CCOc1ccc2c(c1)[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)CCO2 ZINC000907487959 1040072590 /nfs/dbraw/zinc/07/25/90/1040072590.db2.gz NQZQZRXIHIDJMU-QGZVFWFLSA-N 1 2 340.423 3.659 20 0 EHADLO Cc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1OC(C)C ZINC000489530249 1040076602 /nfs/dbraw/zinc/07/66/02/1040076602.db2.gz WSMXYKNOKBSYDR-UHFFFAOYSA-N 1 2 330.432 3.533 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000512553657 1040084172 /nfs/dbraw/zinc/08/41/72/1040084172.db2.gz HLMHMPGWXZKYOH-IRXDYDNUSA-N 1 2 345.487 3.876 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1)Cn1cc[nH+]c1 ZINC000486417679 1040117474 /nfs/dbraw/zinc/11/74/74/1040117474.db2.gz IWBMCDJUKLACOV-ZDUSSCGKSA-N 1 2 333.863 3.900 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCO1 ZINC000907773963 1040164064 /nfs/dbraw/zinc/16/40/64/1040164064.db2.gz VQFXHYRGSIOTQQ-KDOFPFPSSA-N 1 2 339.439 3.640 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000584872950 1040174653 /nfs/dbraw/zinc/17/46/53/1040174653.db2.gz JQEKMMSUGNZWPH-ICSRJNTNSA-N 1 2 333.435 3.882 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814803 1040179862 /nfs/dbraw/zinc/17/98/62/1040179862.db2.gz GVJJVYNDSZTOQM-JYJNAYRXSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814803 1040179875 /nfs/dbraw/zinc/17/98/75/1040179875.db2.gz GVJJVYNDSZTOQM-JYJNAYRXSA-N 1 2 329.488 3.723 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000154119874 1040190342 /nfs/dbraw/zinc/19/03/42/1040190342.db2.gz JVYNCWXNJDVFOQ-UHFFFAOYSA-N 1 2 347.418 3.630 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nn(C)cc2Br)c1 ZINC000432928669 1040200189 /nfs/dbraw/zinc/20/01/89/1040200189.db2.gz NTXPCGWKXKCKSE-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nn(C)cc2Br)c1 ZINC000432928669 1040200182 /nfs/dbraw/zinc/20/01/82/1040200182.db2.gz NTXPCGWKXKCKSE-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)n(C)n1 ZINC000417734569 1040204799 /nfs/dbraw/zinc/20/47/99/1040204799.db2.gz YSQBPVBYCKQOTG-QGZVFWFLSA-N 1 2 329.494 3.999 20 0 EHADLO Cc1cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)n(C)n1 ZINC000417734569 1040204803 /nfs/dbraw/zinc/20/48/03/1040204803.db2.gz YSQBPVBYCKQOTG-QGZVFWFLSA-N 1 2 329.494 3.999 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c[nH+]1 ZINC000907845845 1040210643 /nfs/dbraw/zinc/21/06/43/1040210643.db2.gz AJXYLDNCIZLHJA-UHFFFAOYSA-N 1 2 341.415 3.603 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cc1 ZINC000553591855 1040223914 /nfs/dbraw/zinc/22/39/14/1040223914.db2.gz WONKFSOBQFKZEP-QGZVFWFLSA-N 1 2 325.456 3.656 20 0 EHADLO CCn1c[nH+]cc1CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000417814458 1040251397 /nfs/dbraw/zinc/25/13/97/1040251397.db2.gz QNEMTNVAACYNKR-SFHVURJKSA-N 1 2 341.846 3.568 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000667495586 1040260390 /nfs/dbraw/zinc/26/03/90/1040260390.db2.gz PDMAYQJRDVSWNW-UHFFFAOYSA-N 1 2 328.847 3.946 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000667495586 1040260406 /nfs/dbraw/zinc/26/04/06/1040260406.db2.gz PDMAYQJRDVSWNW-UHFFFAOYSA-N 1 2 328.847 3.946 20 0 EHADLO CC1CCN(c2nn(C[NH+]3C4CCC3CC4)c(=S)n2C2CC2)CC1 ZINC000912789037 1040274543 /nfs/dbraw/zinc/27/45/43/1040274543.db2.gz ZAMZAWHLUHVPQJ-UHFFFAOYSA-N 1 2 347.532 3.570 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)[nH]c2c1 ZINC000667498879 1040275249 /nfs/dbraw/zinc/27/52/49/1040275249.db2.gz WBPYPURSKWBDEH-UHFFFAOYSA-N 1 2 327.472 3.557 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000490031327 1040298932 /nfs/dbraw/zinc/29/89/32/1040298932.db2.gz ICCBMCBWHQYTDH-VHSXEESVSA-N 1 2 349.422 3.650 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000908130288 1040304656 /nfs/dbraw/zinc/30/46/56/1040304656.db2.gz BKNIUZSSEPBCBZ-NVXWUHKLSA-N 1 2 339.439 3.502 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000925627552 1040308411 /nfs/dbraw/zinc/30/84/11/1040308411.db2.gz BKLFBQOOGHLACI-MRXNPFEDSA-N 1 2 333.863 3.559 20 0 EHADLO C[N@H+](C[C@H]1CC=CCC1)Cn1ncn(-c2ccccc2F)c1=S ZINC000784015037 1040331524 /nfs/dbraw/zinc/33/15/24/1040331524.db2.gz ZHOOIVUTZRCNSM-AWEZNQCLSA-N 1 2 332.448 3.788 20 0 EHADLO C[N@@H+](C[C@H]1CC=CCC1)Cn1ncn(-c2ccccc2F)c1=S ZINC000784015037 1040331537 /nfs/dbraw/zinc/33/15/37/1040331537.db2.gz ZHOOIVUTZRCNSM-AWEZNQCLSA-N 1 2 332.448 3.788 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091824 1040354855 /nfs/dbraw/zinc/35/48/55/1040354855.db2.gz PVGQVMMGLXHWSH-RKDXNWHRSA-N 1 2 337.411 3.506 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccccc2F)C1)c1ccc(Cl)cc1 ZINC000066846004 1040358318 /nfs/dbraw/zinc/35/83/18/1040358318.db2.gz ZMLSWGXGMCSKCM-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccccc2F)C1)c1ccc(Cl)cc1 ZINC000066846004 1040358326 /nfs/dbraw/zinc/35/83/26/1040358326.db2.gz ZMLSWGXGMCSKCM-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(C(F)(F)F)c(F)c2)c[nH+]1 ZINC000912836894 1040383468 /nfs/dbraw/zinc/38/34/68/1040383468.db2.gz HXWXLYYJQBSFMT-UHFFFAOYSA-N 1 2 329.297 3.723 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224500 1040406986 /nfs/dbraw/zinc/40/69/86/1040406986.db2.gz NFEASYPBTOWCGX-HOTGVXAUSA-N 1 2 339.430 3.588 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224500 1040406999 /nfs/dbraw/zinc/40/69/99/1040406999.db2.gz NFEASYPBTOWCGX-HOTGVXAUSA-N 1 2 339.430 3.588 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCCc1ccsc1)c1ccccc1 ZINC000473041301 1040436959 /nfs/dbraw/zinc/43/69/59/1040436959.db2.gz LAEVDHHCULLJHP-SFHVURJKSA-N 1 2 329.465 3.655 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCCc1ccsc1)c1ccccc1 ZINC000473041301 1040436966 /nfs/dbraw/zinc/43/69/66/1040436966.db2.gz LAEVDHHCULLJHP-SFHVURJKSA-N 1 2 329.465 3.655 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264891 1040443938 /nfs/dbraw/zinc/44/39/38/1040443938.db2.gz VNPBVKZWDXWCBE-CVEARBPZSA-N 1 2 339.430 3.588 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264891 1040443941 /nfs/dbraw/zinc/44/39/41/1040443941.db2.gz VNPBVKZWDXWCBE-CVEARBPZSA-N 1 2 339.430 3.588 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433026786 1040496790 /nfs/dbraw/zinc/49/67/90/1040496790.db2.gz HVZKTMLMZYXVPA-GYCJOSAFSA-N 1 2 343.492 3.563 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433026786 1040496800 /nfs/dbraw/zinc/49/68/00/1040496800.db2.gz HVZKTMLMZYXVPA-GYCJOSAFSA-N 1 2 343.492 3.563 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028929 1040502919 /nfs/dbraw/zinc/50/29/19/1040502919.db2.gz QNFCGDYMZXIQAG-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028929 1040502937 /nfs/dbraw/zinc/50/29/37/1040502937.db2.gz QNFCGDYMZXIQAG-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1cccc(F)c1 ZINC000553877930 1040533843 /nfs/dbraw/zinc/53/38/43/1040533843.db2.gz BTNNAXCWMLTYDT-OAHLLOKOSA-N 1 2 349.274 3.946 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000473468095 1040553302 /nfs/dbraw/zinc/55/33/02/1040553302.db2.gz CDBZVJIXXUKMRI-KFWWJZLASA-N 1 2 344.434 3.587 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000913066340 1040559414 /nfs/dbraw/zinc/55/94/14/1040559414.db2.gz KDPRZIFOVSPUJO-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000913066340 1040559431 /nfs/dbraw/zinc/55/94/31/1040559431.db2.gz KDPRZIFOVSPUJO-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000029363369 1040560047 /nfs/dbraw/zinc/56/00/47/1040560047.db2.gz SUHXTJQSMXBZBL-HVHJFMEUSA-N 1 2 344.842 3.852 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000600111464 1040675172 /nfs/dbraw/zinc/67/51/72/1040675172.db2.gz IPWAMEPLUDPIFM-SFHVURJKSA-N 1 2 342.464 3.548 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000600111464 1040675182 /nfs/dbraw/zinc/67/51/82/1040675182.db2.gz IPWAMEPLUDPIFM-SFHVURJKSA-N 1 2 342.464 3.548 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@@H]3c3ccsc3)nc(N)c2c1C ZINC000153436442 1040678465 /nfs/dbraw/zinc/67/84/65/1040678465.db2.gz AFGBSMQAXRQREY-CYBMUJFWSA-N 1 2 328.441 3.820 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@@H]3c3ccsc3)nc(N)c2c1C ZINC000153436442 1040678469 /nfs/dbraw/zinc/67/84/69/1040678469.db2.gz AFGBSMQAXRQREY-CYBMUJFWSA-N 1 2 328.441 3.820 20 0 EHADLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487044640 1040679138 /nfs/dbraw/zinc/67/91/38/1040679138.db2.gz RFCDZMMZPWFADP-HXUWFJFHSA-N 1 2 349.434 3.655 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2Cl)n1 ZINC000600126384 1040690951 /nfs/dbraw/zinc/69/09/51/1040690951.db2.gz NRMGKDBMKDESGK-UHFFFAOYSA-N 1 2 339.222 3.855 20 0 EHADLO CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H](C)c1cccc(O)c1 ZINC000162594225 1040713969 /nfs/dbraw/zinc/71/39/69/1040713969.db2.gz MRISQKSNFFVXPE-AWEZNQCLSA-N 1 2 342.443 3.777 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+][C@H](C)c2nc(C)cs2)cn1 ZINC000490764631 1040723404 /nfs/dbraw/zinc/72/34/04/1040723404.db2.gz ZAGBKMLWWCVGQD-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ncc(CSC)s2)cc1 ZINC001204640466 1040730986 /nfs/dbraw/zinc/73/09/86/1040730986.db2.gz LJUNOETXNUNRDW-AWEZNQCLSA-N 1 2 334.510 3.832 20 0 EHADLO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ncc(CSC)s2)cc1 ZINC001204640466 1040731005 /nfs/dbraw/zinc/73/10/05/1040731005.db2.gz LJUNOETXNUNRDW-AWEZNQCLSA-N 1 2 334.510 3.832 20 0 EHADLO Cc1ncc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC000600172358 1040760076 /nfs/dbraw/zinc/76/00/76/1040760076.db2.gz AHIYENWIJAXXBY-IRXDYDNUSA-N 1 2 328.412 3.643 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162607996 1040760627 /nfs/dbraw/zinc/76/06/27/1040760627.db2.gz VSFVJTYMCUZIBJ-UHFFFAOYSA-N 1 2 343.818 3.839 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)no2)cc1 ZINC000364312059 1040761038 /nfs/dbraw/zinc/76/10/38/1040761038.db2.gz YSPCEWQCYWODTH-FQEVSTJZSA-N 1 2 349.434 3.994 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)o1 ZINC000411422394 1040847916 /nfs/dbraw/zinc/84/79/16/1040847916.db2.gz LMGFALOZKAIQHB-KRWDZBQOSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)o1 ZINC000411422394 1040847921 /nfs/dbraw/zinc/84/79/21/1040847921.db2.gz LMGFALOZKAIQHB-KRWDZBQOSA-N 1 2 347.480 3.670 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC000614270172 1040897033 /nfs/dbraw/zinc/89/70/33/1040897033.db2.gz JFTCKQHMEIILEH-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000668782456 1040966311 /nfs/dbraw/zinc/96/63/11/1040966311.db2.gz UMKDQUXZHPYQAA-QGZVFWFLSA-N 1 2 341.499 3.647 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911494 1040976491 /nfs/dbraw/zinc/97/64/91/1040976491.db2.gz VLMATVQDJPUUBY-ZIAGYGMSSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@H+]2[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911494 1040976515 /nfs/dbraw/zinc/97/65/15/1040976515.db2.gz VLMATVQDJPUUBY-ZIAGYGMSSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cc(F)cc(Cl)c3)[nH+]c12 ZINC000152988203 1040978689 /nfs/dbraw/zinc/97/86/89/1040978689.db2.gz KRTIZSWIIZQPJB-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(-c4ccccc4)o3)[nH+]c12 ZINC000586753309 1040998208 /nfs/dbraw/zinc/99/82/08/1040998208.db2.gz RPODSBGILHIEFW-UHFFFAOYSA-N 1 2 345.402 3.762 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000586753431 1041000264 /nfs/dbraw/zinc/00/02/64/1041000264.db2.gz CWZBTNRSOXJPNT-IBGZPJMESA-N 1 2 333.435 3.857 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1c(C)cnn1C ZINC000652039142 1041018304 /nfs/dbraw/zinc/01/83/04/1041018304.db2.gz TWUGUABBKHTQRI-OAHLLOKOSA-N 1 2 333.863 3.900 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1c(C)cnn1C ZINC000652039142 1041018320 /nfs/dbraw/zinc/01/83/20/1041018320.db2.gz TWUGUABBKHTQRI-OAHLLOKOSA-N 1 2 333.863 3.900 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nn(C)cc1Br ZINC000433196445 1041041893 /nfs/dbraw/zinc/04/18/93/1041041893.db2.gz JQFDCWUOASNMRW-ZDUSSCGKSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1nn(C)cc1Br ZINC000433196445 1041041905 /nfs/dbraw/zinc/04/19/05/1041041905.db2.gz JQFDCWUOASNMRW-ZDUSSCGKSA-N 1 2 336.277 3.554 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)oc1C ZINC000433197263 1041045343 /nfs/dbraw/zinc/04/53/43/1041045343.db2.gz QXJAFSVXMFXPEE-CYBMUJFWSA-N 1 2 329.396 3.639 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCOc3ccc(C)cc3C2)oc1C ZINC000433197263 1041045363 /nfs/dbraw/zinc/04/53/63/1041045363.db2.gz QXJAFSVXMFXPEE-CYBMUJFWSA-N 1 2 329.396 3.639 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000419275832 1041049025 /nfs/dbraw/zinc/04/90/25/1041049025.db2.gz DXMADXSVSYUOQM-BEFAXECRSA-N 1 2 344.455 3.518 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419283455 1041078294 /nfs/dbraw/zinc/07/82/94/1041078294.db2.gz ZJXQKIUIOIUVIZ-UHFFFAOYSA-N 1 2 342.773 3.587 20 0 EHADLO C[C@H]1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000644801092 1041104355 /nfs/dbraw/zinc/10/43/55/1041104355.db2.gz UZUKNFONJTUTPA-TXIZYHGNSA-N 1 2 341.430 3.626 20 0 EHADLO C[C@@H]1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000644801089 1041105710 /nfs/dbraw/zinc/10/57/10/1041105710.db2.gz UZUKNFONJTUTPA-FOSZKXBFSA-N 1 2 341.430 3.626 20 0 EHADLO CCOc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433222333 1041106922 /nfs/dbraw/zinc/10/69/22/1041106922.db2.gz YHCTVZYGGSEEDV-UHFFFAOYSA-N 1 2 335.407 3.511 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000660399523 1041132985 /nfs/dbraw/zinc/13/29/85/1041132985.db2.gz FHVRBKQVOJMYJE-NRFANRHFSA-N 1 2 333.435 3.766 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000660399523 1041132990 /nfs/dbraw/zinc/13/29/90/1041132990.db2.gz FHVRBKQVOJMYJE-NRFANRHFSA-N 1 2 333.435 3.766 20 0 EHADLO Cc1cc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143610944 1041136976 /nfs/dbraw/zinc/13/69/76/1041136976.db2.gz LIHBNMIKECJOOF-UHFFFAOYSA-N 1 2 340.414 3.620 20 0 EHADLO CN(C)c1ccc(Nc2cc(Cl)ncc2Br)c[nH+]1 ZINC001175338529 1132643305 /nfs/dbraw/zinc/64/33/05/1132643305.db2.gz GWRHFDKJSBPJGV-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1C ZINC000419298679 1041149575 /nfs/dbraw/zinc/14/95/75/1041149575.db2.gz GSZWLIPXZIDHME-HXUWFJFHSA-N 1 2 337.467 3.542 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2cccc(OC(C)(C)C)n2)CCCCC1 ZINC001167759509 1041149650 /nfs/dbraw/zinc/14/96/50/1041149650.db2.gz GCXOZGMTUJTOFO-UHFFFAOYSA-N 1 2 348.487 3.957 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)CCCCC1 ZINC001167759509 1041149655 /nfs/dbraw/zinc/14/96/55/1041149655.db2.gz GCXOZGMTUJTOFO-UHFFFAOYSA-N 1 2 348.487 3.957 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000193739159 1041222132 /nfs/dbraw/zinc/22/21/32/1041222132.db2.gz AIXSCWFLMJAZJW-MRXNPFEDSA-N 1 2 337.345 3.629 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000193739159 1041222156 /nfs/dbraw/zinc/22/21/56/1041222156.db2.gz AIXSCWFLMJAZJW-MRXNPFEDSA-N 1 2 337.345 3.629 20 0 EHADLO CCN(Cc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000481702858 1041271454 /nfs/dbraw/zinc/27/14/54/1041271454.db2.gz RQGVZMCHUMHIDR-UHFFFAOYSA-N 1 2 346.862 3.769 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000433320708 1041277228 /nfs/dbraw/zinc/27/72/28/1041277228.db2.gz MGVRNUMMCHDYJB-GFCCVEGCSA-N 1 2 330.375 3.548 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000333119401 1041319974 /nfs/dbraw/zinc/31/99/74/1041319974.db2.gz GWOQUWGVJWUXFA-HNNXBMFYSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)C(=O)N(C)CC3)c2c([nH+]1)CCCC2 ZINC000893371111 1041385084 /nfs/dbraw/zinc/38/50/84/1041385084.db2.gz YPKVUFTUDSJOTH-UHFFFAOYSA-N 1 2 335.451 3.509 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511704254 1041468688 /nfs/dbraw/zinc/46/86/88/1041468688.db2.gz RZMLGQLDLMBCGC-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511704254 1041468695 /nfs/dbraw/zinc/46/86/95/1041468695.db2.gz RZMLGQLDLMBCGC-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660495124 1041569757 /nfs/dbraw/zinc/56/97/57/1041569757.db2.gz DHJKXIJZLBVPFM-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000660495124 1041569762 /nfs/dbraw/zinc/56/97/62/1041569762.db2.gz DHJKXIJZLBVPFM-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000047273676 1041603923 /nfs/dbraw/zinc/60/39/23/1041603923.db2.gz CYCOHAGNSIHKTQ-FXAWDEMLSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000047273676 1041603928 /nfs/dbraw/zinc/60/39/28/1041603928.db2.gz CYCOHAGNSIHKTQ-FXAWDEMLSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660547624 1041654324 /nfs/dbraw/zinc/65/43/24/1041654324.db2.gz BOJVZLDSBXELOK-AWEZNQCLSA-N 1 2 339.411 3.976 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660547624 1041654326 /nfs/dbraw/zinc/65/43/26/1041654326.db2.gz BOJVZLDSBXELOK-AWEZNQCLSA-N 1 2 339.411 3.976 20 0 EHADLO Cc1nc(N2CC[C@H](Cc3ccc(Br)cc3)C2)cc[nH+]1 ZINC000432155809 1041663495 /nfs/dbraw/zinc/66/34/95/1041663495.db2.gz GKKILXHASFPVCD-CQSZACIVSA-N 1 2 332.245 3.617 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC000026323327 1041689672 /nfs/dbraw/zinc/68/96/72/1041689672.db2.gz BZOZRHDJVCUDCA-UHFFFAOYSA-N 1 2 335.451 3.926 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC000026323327 1041689675 /nfs/dbraw/zinc/68/96/75/1041689675.db2.gz BZOZRHDJVCUDCA-UHFFFAOYSA-N 1 2 335.451 3.926 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000332677121 1041692732 /nfs/dbraw/zinc/69/27/32/1041692732.db2.gz DXOXKBWCEMJTFA-GOEBONIOSA-N 1 2 336.439 3.912 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3OC(F)F)[nH+]cn2)C1 ZINC000432176871 1041696369 /nfs/dbraw/zinc/69/63/69/1041696369.db2.gz KWCCUBKAPWNLCV-MGPQQGTHSA-N 1 2 340.418 3.675 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3OC(F)F)nc[nH+]2)C1 ZINC000432176871 1041696374 /nfs/dbraw/zinc/69/63/74/1041696374.db2.gz KWCCUBKAPWNLCV-MGPQQGTHSA-N 1 2 340.418 3.675 20 0 EHADLO CC(C)(C)c1cc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)no1 ZINC000660666040 1041762311 /nfs/dbraw/zinc/76/23/11/1041762311.db2.gz YNSWOHVNCFGJSX-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO CC(C)(C)c1cc(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)no1 ZINC000660666040 1041762317 /nfs/dbraw/zinc/76/23/17/1041762317.db2.gz YNSWOHVNCFGJSX-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3ncns3)CC2)c2ccccc12 ZINC000660705549 1041779595 /nfs/dbraw/zinc/77/95/95/1041779595.db2.gz GSXKMDHWRNJXCT-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC(F)(F)CC1 ZINC000628628606 1041835043 /nfs/dbraw/zinc/83/50/43/1041835043.db2.gz DCBGFXKKVXZOIU-HNNXBMFYSA-N 1 2 333.382 3.580 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000660926194 1041876219 /nfs/dbraw/zinc/87/62/19/1041876219.db2.gz JSCAFGBMINFTQB-CYBMUJFWSA-N 1 2 336.426 3.565 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1F ZINC000651724887 1041971560 /nfs/dbraw/zinc/97/15/60/1041971560.db2.gz KPWFOEIGEABQBR-MRXNPFEDSA-N 1 2 336.432 3.849 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045034907 1042028204 /nfs/dbraw/zinc/02/82/04/1042028204.db2.gz TYQJKAPOQBMOMZ-INIZCTEOSA-N 1 2 349.434 3.821 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c[nH+]1 ZINC000661291477 1042052655 /nfs/dbraw/zinc/05/26/55/1042052655.db2.gz HKNXHMCKECNKAK-SJORKVTESA-N 1 2 345.487 3.624 20 0 EHADLO COc1ccc(Cl)cc1CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001126063469 1042056876 /nfs/dbraw/zinc/05/68/76/1042056876.db2.gz RWQVGRFXWJOPTA-UHFFFAOYSA-N 1 2 332.831 3.641 20 0 EHADLO Cc1cc(N2CCC(Oc3ccc(F)nc3)CC2)nc(C2CCC2)[nH+]1 ZINC000893452643 1042083366 /nfs/dbraw/zinc/08/33/66/1042083366.db2.gz VZCVDNOUVJIJMY-UHFFFAOYSA-N 1 2 342.418 3.634 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c1 ZINC000661371241 1042085698 /nfs/dbraw/zinc/08/56/98/1042085698.db2.gz FULVXJJMCBTPOX-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(C)cc3C2)c1 ZINC000661371241 1042085703 /nfs/dbraw/zinc/08/57/03/1042085703.db2.gz FULVXJJMCBTPOX-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC[C@@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccc(Cl)cc1 ZINC000661419956 1042112277 /nfs/dbraw/zinc/11/22/77/1042112277.db2.gz GRDTVDNZWIXISJ-SMDDNHRTSA-N 1 2 337.876 3.715 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1)C1CC1 ZINC000661445394 1042123433 /nfs/dbraw/zinc/12/34/33/1042123433.db2.gz GRZBOCXCZNXJFR-MGPUTAFESA-N 1 2 342.483 3.986 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1)C1CC1 ZINC000661445394 1042123435 /nfs/dbraw/zinc/12/34/35/1042123435.db2.gz GRZBOCXCZNXJFR-MGPUTAFESA-N 1 2 342.483 3.986 20 0 EHADLO CC(C)[C@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000661487765 1042143612 /nfs/dbraw/zinc/14/36/12/1042143612.db2.gz PTYAETSGPKNALE-KDOFPFPSSA-N 1 2 339.418 3.849 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@@H]2CCc3ccccc32)Cc2ccccc2C1 ZINC001167779528 1042144977 /nfs/dbraw/zinc/14/49/77/1042144977.db2.gz UKLPVXYXWWEBKF-SFHVURJKSA-N 1 2 349.474 3.797 20 0 EHADLO Cc1ccc(OCCCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000045860036 1042156073 /nfs/dbraw/zinc/15/60/73/1042156073.db2.gz MNAXRNIAOCXMJX-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514215 1042160193 /nfs/dbraw/zinc/16/01/93/1042160193.db2.gz NTVAXQKUICGKIX-YWZLYKJASA-N 1 2 338.426 3.546 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514215 1042160199 /nfs/dbraw/zinc/16/01/99/1042160199.db2.gz NTVAXQKUICGKIX-YWZLYKJASA-N 1 2 338.426 3.546 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534848 1042176397 /nfs/dbraw/zinc/17/63/97/1042176397.db2.gz HJFAYIPLLSEYFT-KGLIPLIRSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534848 1042176401 /nfs/dbraw/zinc/17/64/01/1042176401.db2.gz HJFAYIPLLSEYFT-KGLIPLIRSA-N 1 2 343.393 3.574 20 0 EHADLO O=C(NCc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066891234 1042214183 /nfs/dbraw/zinc/21/41/83/1042214183.db2.gz FPAJYAWRCGUSQS-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000027535380 1042230138 /nfs/dbraw/zinc/23/01/38/1042230138.db2.gz LBGRONGNVOVUBR-MRXNPFEDSA-N 1 2 328.485 3.932 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000027535380 1042230143 /nfs/dbraw/zinc/23/01/43/1042230143.db2.gz LBGRONGNVOVUBR-MRXNPFEDSA-N 1 2 328.485 3.932 20 0 EHADLO Cc1ccc(Nc2nc(C[N@@H+](C)CC3=CCCOC3)cs2)cc1 ZINC000661658128 1042238342 /nfs/dbraw/zinc/23/83/42/1042238342.db2.gz ZDSKEYNWLSIWRL-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO Cc1ccc(Nc2nc(C[N@H+](C)CC3=CCCOC3)cs2)cc1 ZINC000661658128 1042238348 /nfs/dbraw/zinc/23/83/48/1042238348.db2.gz ZDSKEYNWLSIWRL-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487360609 1042258622 /nfs/dbraw/zinc/25/86/22/1042258622.db2.gz CCEJITZCBOQWMQ-GFCCVEGCSA-N 1 2 341.361 3.962 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487360609 1042258623 /nfs/dbraw/zinc/25/86/23/1042258623.db2.gz CCEJITZCBOQWMQ-GFCCVEGCSA-N 1 2 341.361 3.962 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273169 1042298588 /nfs/dbraw/zinc/29/85/88/1042298588.db2.gz IEHJSNQPPRRQCD-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273169 1042298591 /nfs/dbraw/zinc/29/85/91/1042298591.db2.gz IEHJSNQPPRRQCD-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1cc(CNc2cccc(-c3ncn(C)n3)c2)c2c([nH+]1)CCCC2 ZINC000893502895 1042303332 /nfs/dbraw/zinc/30/33/32/1042303332.db2.gz OTMIZOVFAIXXKQ-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)(C)F)c(C)c1 ZINC000661753400 1042306285 /nfs/dbraw/zinc/30/62/85/1042306285.db2.gz XNKMEIDMOPCGAX-QGZVFWFLSA-N 1 2 346.450 3.679 20 0 EHADLO O=C(NCCCC1CCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661827647 1042351253 /nfs/dbraw/zinc/35/12/53/1042351253.db2.gz OLWHZVRPMCHFKA-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)nc(=O)c2c1C ZINC000661853132 1042366007 /nfs/dbraw/zinc/36/60/07/1042366007.db2.gz AXNHVQBAVWLFGB-SCVCMEIPSA-N 1 2 335.473 3.574 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+]3CC[C@@H](C)O[C@@H](C)C3)nc(=O)c2c1C ZINC000661853132 1042366010 /nfs/dbraw/zinc/36/60/10/1042366010.db2.gz AXNHVQBAVWLFGB-SCVCMEIPSA-N 1 2 335.473 3.574 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000661858542 1042366648 /nfs/dbraw/zinc/36/66/48/1042366648.db2.gz YLSPJOCFYCNNIZ-ILXRZTDVSA-N 1 2 338.879 3.783 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000661858542 1042366658 /nfs/dbraw/zinc/36/66/58/1042366658.db2.gz YLSPJOCFYCNNIZ-ILXRZTDVSA-N 1 2 338.879 3.783 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854819 1042369131 /nfs/dbraw/zinc/36/91/31/1042369131.db2.gz QJTPCEDQWLCHBI-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854819 1042369135 /nfs/dbraw/zinc/36/91/35/1042369135.db2.gz QJTPCEDQWLCHBI-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO O=C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)Nc1ccccc1Cl ZINC000661864987 1042375447 /nfs/dbraw/zinc/37/54/47/1042375447.db2.gz KTMRFHWFFANDRY-KRWDZBQOSA-N 1 2 336.863 3.560 20 0 EHADLO CC(C)c1cccc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)c1 ZINC000661950695 1042425304 /nfs/dbraw/zinc/42/53/04/1042425304.db2.gz CTGBRARRBYNLQI-UHFFFAOYSA-N 1 2 328.456 3.584 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2=CCCC2)c(C)c1 ZINC000661963474 1042432759 /nfs/dbraw/zinc/43/27/59/1042432759.db2.gz CZHIIYPXHQOOLF-IBGZPJMESA-N 1 2 338.455 3.651 20 0 EHADLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000662022161 1042465176 /nfs/dbraw/zinc/46/51/76/1042465176.db2.gz SKNJFVBCXVCXIF-CYBMUJFWSA-N 1 2 341.402 3.873 20 0 EHADLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000662022161 1042465178 /nfs/dbraw/zinc/46/51/78/1042465178.db2.gz SKNJFVBCXVCXIF-CYBMUJFWSA-N 1 2 341.402 3.873 20 0 EHADLO Clc1cccc(-c2nnc(C[NH+]3CCC(c4ccon4)CC3)o2)c1 ZINC000662046596 1042479363 /nfs/dbraw/zinc/47/93/63/1042479363.db2.gz JRWKKUIOSUOCDM-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO Fc1ccc(-n2ccc(C[NH+]3CCC(c4ccon4)CC3)n2)c(F)c1 ZINC000662047912 1042480390 /nfs/dbraw/zinc/48/03/90/1042480390.db2.gz LCIOUQHSIYIHST-UHFFFAOYSA-N 1 2 344.365 3.518 20 0 EHADLO CCCCc1noc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662056682 1042486981 /nfs/dbraw/zinc/48/69/81/1042486981.db2.gz ULAQCTTYQPTWDK-UHFFFAOYSA-N 1 2 341.455 3.772 20 0 EHADLO C[C@@H](CC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000026214594 1042494296 /nfs/dbraw/zinc/49/42/96/1042494296.db2.gz PFDFBCKVKMBHLV-SFHVURJKSA-N 1 2 347.462 3.784 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000278855767 1042525806 /nfs/dbraw/zinc/52/58/06/1042525806.db2.gz MMTOZUOBGUXGQL-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184409932 1042530646 /nfs/dbraw/zinc/53/06/46/1042530646.db2.gz MTMUMYVWADALAI-NWDGAFQWSA-N 1 2 337.876 3.667 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC(C)(C)C2)c(C)c1 ZINC000662121535 1042533950 /nfs/dbraw/zinc/53/39/50/1042533950.db2.gz MOXALJXPMCMFEO-SFHVURJKSA-N 1 2 340.471 3.729 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1nccs1 ZINC000184428772 1042540787 /nfs/dbraw/zinc/54/07/87/1042540787.db2.gz JCBSYOYADJJCDS-KBPBESRZSA-N 1 2 339.464 3.824 20 0 EHADLO C[C@@H](Oc1cccnc1NCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663257539 1042605741 /nfs/dbraw/zinc/60/57/41/1042605741.db2.gz XDTYCQNVPWHHET-OAHLLOKOSA-N 1 2 334.423 3.976 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000662215294 1042611088 /nfs/dbraw/zinc/61/10/88/1042611088.db2.gz SNQBAXBRFHENRS-CQSZACIVSA-N 1 2 325.412 3.633 20 0 EHADLO CCC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000643221569 1042613646 /nfs/dbraw/zinc/61/36/46/1042613646.db2.gz KHFPHQVPGZXDCH-JYJNAYRXSA-N 1 2 333.476 3.606 20 0 EHADLO C[N@H+](CC1=CCSC1)Cc1ncc(Br)cc1Cl ZINC000662266634 1042643515 /nfs/dbraw/zinc/64/35/15/1042643515.db2.gz JRPOVZVIDJUGRP-UHFFFAOYSA-N 1 2 333.682 3.603 20 0 EHADLO C[N@@H+](CC1=CCSC1)Cc1ncc(Br)cc1Cl ZINC000662266634 1042643519 /nfs/dbraw/zinc/64/35/19/1042643519.db2.gz JRPOVZVIDJUGRP-UHFFFAOYSA-N 1 2 333.682 3.603 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662290004 1042661474 /nfs/dbraw/zinc/66/14/74/1042661474.db2.gz DHXXVVHMNDCEFN-OAGGEKHMSA-N 1 2 338.451 3.838 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000662290004 1042661477 /nfs/dbraw/zinc/66/14/77/1042661477.db2.gz DHXXVVHMNDCEFN-OAGGEKHMSA-N 1 2 338.451 3.838 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602107443 1042663144 /nfs/dbraw/zinc/66/31/44/1042663144.db2.gz QYABXOXVPBQEIO-JHJVBQTASA-N 1 2 349.422 3.509 20 0 EHADLO Clc1ccc2cccnc2c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000613886187 1042664264 /nfs/dbraw/zinc/66/42/64/1042664264.db2.gz HEGZGLQKJPNQTK-AWEZNQCLSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc2cccnc2c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000613886187 1042664270 /nfs/dbraw/zinc/66/42/70/1042664270.db2.gz HEGZGLQKJPNQTK-AWEZNQCLSA-N 1 2 326.831 3.991 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(OC)ccc2OC)o1 ZINC000165212185 1042671062 /nfs/dbraw/zinc/67/10/62/1042671062.db2.gz HIJHYQDONWUZCE-GUYCJALGSA-N 1 2 333.428 3.898 20 0 EHADLO COc1c(C[NH2+][C@H](C)c2cc(Cl)sc2Cl)c(C)nn1C ZINC000162414116 1042727663 /nfs/dbraw/zinc/72/76/63/1042727663.db2.gz KRXPMCBXTKUWNA-SSDOTTSWSA-N 1 2 334.272 3.956 20 0 EHADLO Clc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc2cccnc12 ZINC000663374032 1042764166 /nfs/dbraw/zinc/76/41/66/1042764166.db2.gz BVIOZSAZMCXYDJ-UHFFFAOYSA-N 1 2 339.830 3.891 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000662504894 1042765757 /nfs/dbraw/zinc/76/57/57/1042765757.db2.gz GZJHDMMIDMDDDN-OAHLLOKOSA-N 1 2 326.375 3.583 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000662504894 1042765760 /nfs/dbraw/zinc/76/57/60/1042765760.db2.gz GZJHDMMIDMDDDN-OAHLLOKOSA-N 1 2 326.375 3.583 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(OCC(F)(F)F)c1 ZINC000432312696 1042768183 /nfs/dbraw/zinc/76/81/83/1042768183.db2.gz KCSCBNMHTJAGJC-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000511977768 1042805930 /nfs/dbraw/zinc/80/59/30/1042805930.db2.gz JCVZUDMPKZRIAW-NRFANRHFSA-N 1 2 348.446 3.709 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000511977768 1042805933 /nfs/dbraw/zinc/80/59/33/1042805933.db2.gz JCVZUDMPKZRIAW-NRFANRHFSA-N 1 2 348.446 3.709 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000159300405 1042814913 /nfs/dbraw/zinc/81/49/13/1042814913.db2.gz BCHVNXMTAJYGPM-GOSISDBHSA-N 1 2 347.462 3.702 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)c(F)c1F ZINC000066962387 1042883306 /nfs/dbraw/zinc/88/33/06/1042883306.db2.gz DOXVSVXSSLFJRR-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO COc1ccc(C)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066962608 1042883952 /nfs/dbraw/zinc/88/39/52/1042883952.db2.gz NPNXQXZWKGSDQD-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO FC1(F)CCC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000390792823 1042897165 /nfs/dbraw/zinc/89/71/65/1042897165.db2.gz DGWDAMWVVRVIED-NSHDSACASA-N 1 2 337.151 3.569 20 0 EHADLO Cc1ccnc(-c2noc(CSCCc3[nH+]cc(C)cc3C)n2)c1 ZINC000563148073 1042941965 /nfs/dbraw/zinc/94/19/65/1042941965.db2.gz YYOYQHHXUDVNCO-UHFFFAOYSA-N 1 2 340.452 3.928 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000408279441 1042942338 /nfs/dbraw/zinc/94/23/38/1042942338.db2.gz JGTPSVIBPBMJIN-IXDOHACOSA-N 1 2 332.492 3.904 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)n1 ZINC000343960152 1042951917 /nfs/dbraw/zinc/95/19/17/1042951917.db2.gz HUCIAHMVXISGDD-CZUORRHYSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)n1 ZINC000343960152 1042951922 /nfs/dbraw/zinc/95/19/22/1042951922.db2.gz HUCIAHMVXISGDD-CZUORRHYSA-N 1 2 333.432 3.759 20 0 EHADLO CC(C)(C(=O)N1CCc2oc(-c3ccccc3)cc2C1)c1c[nH+]c[nH]1 ZINC000652672728 1043065578 /nfs/dbraw/zinc/06/55/78/1043065578.db2.gz UHHMCPAQUNVFFA-UHFFFAOYSA-N 1 2 335.407 3.532 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000344041360 1043143660 /nfs/dbraw/zinc/14/36/60/1043143660.db2.gz YLUHSVKABIZRLR-UHFFFAOYSA-N 1 2 348.450 3.748 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000279009460 1043184104 /nfs/dbraw/zinc/18/41/04/1043184104.db2.gz KTOXBRJOMRQQAP-SJORKVTESA-N 1 2 343.471 3.618 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1nc(C(F)(F)F)cs1 ZINC000279014553 1043200128 /nfs/dbraw/zinc/20/01/28/1043200128.db2.gz VGBUMYJWWAOJBA-ZCFIWIBFSA-N 1 2 340.321 3.684 20 0 EHADLO CCCC[C@@H](CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000512150149 1043461825 /nfs/dbraw/zinc/46/18/25/1043461825.db2.gz UYKQVVIUHMYPNK-GOSISDBHSA-N 1 2 331.504 3.589 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1nc(C)cs1 ZINC000344223225 1043472165 /nfs/dbraw/zinc/47/21/65/1043472165.db2.gz OAGPYHRFSTZACG-GFCCVEGCSA-N 1 2 326.263 3.850 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000279176649 1043512981 /nfs/dbraw/zinc/51/29/81/1043512981.db2.gz HQXACZRKACIRJB-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344250993 1043529314 /nfs/dbraw/zinc/52/93/14/1043529314.db2.gz PKJFMXOEDJCLFI-FGTMMUONSA-N 1 2 332.394 3.768 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000344348639 1043716241 /nfs/dbraw/zinc/71/62/41/1043716241.db2.gz JWXNLADVIMQWKQ-UHFFFAOYSA-N 1 2 327.334 3.991 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438651 1043757047 /nfs/dbraw/zinc/75/70/47/1043757047.db2.gz DRRUNLMPXZIEOM-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438651 1043757056 /nfs/dbraw/zinc/75/70/56/1043757056.db2.gz DRRUNLMPXZIEOM-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438653 1043757356 /nfs/dbraw/zinc/75/73/56/1043757356.db2.gz KMNKDKPVYPVSDT-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438653 1043757367 /nfs/dbraw/zinc/75/73/67/1043757367.db2.gz KMNKDKPVYPVSDT-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1cc(F)ccc1Br)CC2 ZINC000661953420 1043772870 /nfs/dbraw/zinc/77/28/70/1043772870.db2.gz CENIIZURAYTHIX-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccccc3F)n2)c1 ZINC000279432316 1044078606 /nfs/dbraw/zinc/07/86/06/1044078606.db2.gz GRVVODHGVWZYIV-CHWSQXEVSA-N 1 2 325.391 3.726 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(F)cc3F)n2)c1 ZINC000279525868 1044187279 /nfs/dbraw/zinc/18/72/79/1044187279.db2.gz OTTBBQFEEJVRFQ-NWDGAFQWSA-N 1 2 343.381 3.865 20 0 EHADLO O=C(c1c(F)cccc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279569800 1044231914 /nfs/dbraw/zinc/23/19/14/1044231914.db2.gz RFERXYRRQZVQMX-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)s1 ZINC000344680314 1044282263 /nfs/dbraw/zinc/28/22/63/1044282263.db2.gz NEBWUIMTYGWFNI-UHFFFAOYSA-N 1 2 331.363 3.850 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1ncc(C)s1 ZINC000230686762 1044385411 /nfs/dbraw/zinc/38/54/11/1044385411.db2.gz PZABAXMFBWVVMB-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO CC(C)n1nccc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000279714000 1044458050 /nfs/dbraw/zinc/45/80/50/1044458050.db2.gz UALGUBLNGHKQNF-UHFFFAOYSA-N 1 2 347.409 3.837 20 0 EHADLO Cn1c[nH+]cc1CCCOC(=O)c1cc(Cl)cc(Cl)c1F ZINC001343737819 1044500230 /nfs/dbraw/zinc/50/02/30/1044500230.db2.gz ACTGFKRELHNZCU-UHFFFAOYSA-N 1 2 331.174 3.656 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H]1C ZINC000644875061 1044504242 /nfs/dbraw/zinc/50/42/42/1044504242.db2.gz FQGRDEQOSNZOHG-XYVMCAHJSA-N 1 2 325.456 3.873 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(Cl)cc1 ZINC000279745503 1044508088 /nfs/dbraw/zinc/50/80/88/1044508088.db2.gz PLNGNZUGDQSPEG-KRWDZBQOSA-N 1 2 329.831 3.773 20 0 EHADLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000344867265 1044553887 /nfs/dbraw/zinc/55/38/87/1044553887.db2.gz DPIJSASQYQRQCH-KRWDZBQOSA-N 1 2 325.456 3.706 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000112007943 1044576311 /nfs/dbraw/zinc/57/63/11/1044576311.db2.gz AMFMEGPZKOWCON-KRWDZBQOSA-N 1 2 349.434 3.779 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000112089835 1044578826 /nfs/dbraw/zinc/57/88/26/1044578826.db2.gz PVWWVDZWHGBKGB-OAHLLOKOSA-N 1 2 336.501 3.624 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000112089835 1044578843 /nfs/dbraw/zinc/57/88/43/1044578843.db2.gz PVWWVDZWHGBKGB-OAHLLOKOSA-N 1 2 336.501 3.624 20 0 EHADLO Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc[nH+]1 ZINC000112298381 1044599112 /nfs/dbraw/zinc/59/91/12/1044599112.db2.gz DYKWKLDAZFQNJT-UHFFFAOYSA-N 1 2 327.331 3.535 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000279852369 1044748321 /nfs/dbraw/zinc/74/83/21/1044748321.db2.gz PDHGMVFWZBHXED-HNNXBMFYSA-N 1 2 344.528 3.714 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3ccccc3OC(F)F)cc2[nH+]1 ZINC000345000011 1044804954 /nfs/dbraw/zinc/80/49/54/1044804954.db2.gz SSTLFZHHEUCVLI-UHFFFAOYSA-N 1 2 331.322 3.654 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000866620503 1137370314 /nfs/dbraw/zinc/37/03/14/1137370314.db2.gz OVKWPIYKKNVEMN-ZETCQYMHSA-N 1 2 333.276 3.827 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1SCC(F)(F)F ZINC000620410779 1125566621 /nfs/dbraw/zinc/56/66/21/1125566621.db2.gz KHEJXKCXDHBTPF-UHFFFAOYSA-N 1 2 343.374 3.956 20 0 EHADLO C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000620585646 1125601462 /nfs/dbraw/zinc/60/14/62/1125601462.db2.gz SAQVKRGQGBFVGN-OAQYLSRUSA-N 1 2 333.435 3.660 20 0 EHADLO CC(C)(C)n1nccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620619290 1125612906 /nfs/dbraw/zinc/61/29/06/1125612906.db2.gz DYRJRJMJRUYLGS-OAHLLOKOSA-N 1 2 337.427 3.522 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000154654432 1125742434 /nfs/dbraw/zinc/74/24/34/1125742434.db2.gz UNADMNAUJVWFEG-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000154654432 1125742439 /nfs/dbraw/zinc/74/24/39/1125742439.db2.gz UNADMNAUJVWFEG-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO Cc1sc(NC(=O)C[N@H+](C)CCOCc2ccccc2)c(C)c1C ZINC000154712038 1125750998 /nfs/dbraw/zinc/75/09/98/1125750998.db2.gz PWOWOHWIJWLNFJ-UHFFFAOYSA-N 1 2 346.496 3.760 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c(C)c1C ZINC000154712038 1125751008 /nfs/dbraw/zinc/75/10/08/1125751008.db2.gz PWOWOHWIJWLNFJ-UHFFFAOYSA-N 1 2 346.496 3.760 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000154873558 1125762117 /nfs/dbraw/zinc/76/21/17/1125762117.db2.gz MUHKUPRRHCUUKB-UHFFFAOYSA-N 1 2 345.874 3.897 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCCCC1 ZINC000622546284 1126715422 /nfs/dbraw/zinc/71/54/22/1126715422.db2.gz PLKGWXKLRPFBND-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCCCC1 ZINC000622546284 1126715425 /nfs/dbraw/zinc/71/54/25/1126715425.db2.gz PLKGWXKLRPFBND-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO O=C(CC1CCCCC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546235 1126715726 /nfs/dbraw/zinc/71/57/26/1126715726.db2.gz NBQJKTBJOOFGLO-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO O=C(CC1CCCCC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546235 1126715731 /nfs/dbraw/zinc/71/57/31/1126715731.db2.gz NBQJKTBJOOFGLO-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccnc(OC3CCCCC3)c2)c[nH+]1 ZINC000622667430 1126740513 /nfs/dbraw/zinc/74/05/13/1126740513.db2.gz GAKMKFYJMDERNO-UHFFFAOYSA-N 1 2 339.439 3.735 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514202 1126741736 /nfs/dbraw/zinc/74/17/36/1126741736.db2.gz ZXACKQPUKKQCCC-HIFRSBDPSA-N 1 2 343.471 3.552 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514202 1126741739 /nfs/dbraw/zinc/74/17/39/1126741739.db2.gz ZXACKQPUKKQCCC-HIFRSBDPSA-N 1 2 343.471 3.552 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c[nH+]1 ZINC000622667360 1126741820 /nfs/dbraw/zinc/74/18/20/1126741820.db2.gz BSEPQIOYCNPOHE-UHFFFAOYSA-N 1 2 340.814 3.672 20 0 EHADLO CC(C)c1ccc(-c2nnc(SCCC[NH+]3CCOCC3)o2)cc1 ZINC000171162888 1126754433 /nfs/dbraw/zinc/75/44/33/1126754433.db2.gz YCDLYLYCVNKKAB-UHFFFAOYSA-N 1 2 347.484 3.674 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2scnc2c1 ZINC000171377361 1126764338 /nfs/dbraw/zinc/76/43/38/1126764338.db2.gz JBNGZORRELEZFP-UHFFFAOYSA-N 1 2 349.419 3.804 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185151261 1126781569 /nfs/dbraw/zinc/78/15/69/1126781569.db2.gz BDADHIUQHFGWNP-AWEZNQCLSA-N 1 2 340.492 3.540 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185151261 1126781573 /nfs/dbraw/zinc/78/15/73/1126781573.db2.gz BDADHIUQHFGWNP-AWEZNQCLSA-N 1 2 340.492 3.540 20 0 EHADLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000623035230 1126860815 /nfs/dbraw/zinc/86/08/15/1126860815.db2.gz WIJHSEMYPYVSQM-VIFPVBQESA-N 1 2 349.797 3.704 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(C1CC1)C1CCCC1 ZINC000175299519 1126869369 /nfs/dbraw/zinc/86/93/69/1126869369.db2.gz UCVOHEUBJZPHDH-UHFFFAOYSA-N 1 2 338.455 3.548 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1OC(F)F ZINC000623121952 1126880391 /nfs/dbraw/zinc/88/03/91/1126880391.db2.gz WPBRQJTYRXHOMM-UHFFFAOYSA-N 1 2 340.292 3.501 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1OC(F)F ZINC000623121952 1126880392 /nfs/dbraw/zinc/88/03/92/1126880392.db2.gz WPBRQJTYRXHOMM-UHFFFAOYSA-N 1 2 340.292 3.501 20 0 EHADLO CC(C)CN(CCc1ccc(F)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000623253866 1126903255 /nfs/dbraw/zinc/90/32/55/1126903255.db2.gz FWLHOFCOGVMQBI-UHFFFAOYSA-N 1 2 331.435 3.530 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)o1 ZINC000623256595 1126903462 /nfs/dbraw/zinc/90/34/62/1126903462.db2.gz BPOIVXKJJKBGKO-WMLDXEAASA-N 1 2 327.428 3.571 20 0 EHADLO CCC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000623296696 1126910664 /nfs/dbraw/zinc/91/06/64/1126910664.db2.gz NYQVPNVJZGDJGR-DOTOQJQBSA-N 1 2 331.847 3.551 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000072919746 1126935139 /nfs/dbraw/zinc/93/51/39/1126935139.db2.gz ACVYBWZOVMSYNI-GFCCVEGCSA-N 1 2 340.358 3.582 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1Cl ZINC000623446583 1126958200 /nfs/dbraw/zinc/95/82/00/1126958200.db2.gz JQRDDOBQPOQRHL-UHFFFAOYSA-N 1 2 325.865 3.787 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]C3(c4ccccc4F)CCC3)nn2)cc1 ZINC000623557462 1126984540 /nfs/dbraw/zinc/98/45/40/1126984540.db2.gz YPJTWLMITQNICU-UHFFFAOYSA-N 1 2 340.377 3.715 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000178366885 1127016118 /nfs/dbraw/zinc/01/61/18/1127016118.db2.gz SFKXIQQAZYFSGS-NEPJUHHUSA-N 1 2 345.468 3.586 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(OC2CCCC2)c1 ZINC000178371471 1127016490 /nfs/dbraw/zinc/01/64/90/1127016490.db2.gz OIAWGGSMKJPDKG-UHFFFAOYSA-N 1 2 335.407 3.586 20 0 EHADLO C[C@@H](CCC1CCCC1)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000349422429 1127039788 /nfs/dbraw/zinc/03/97/88/1127039788.db2.gz JGIWHNKEWNWRHJ-HNNXBMFYSA-N 1 2 328.460 3.832 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000179909711 1127099545 /nfs/dbraw/zinc/09/95/45/1127099545.db2.gz DZSPNTVFKLVANK-NSHDSACASA-N 1 2 335.350 3.691 20 0 EHADLO CS/C=C/C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000083067756 1127175995 /nfs/dbraw/zinc/17/59/95/1127175995.db2.gz WMKWGCFXZHVOAK-RNVIBTMRSA-N 1 2 342.867 3.609 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000623810484 1127186749 /nfs/dbraw/zinc/18/67/49/1127186749.db2.gz PHJDKMWIAIWOKI-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO COCC[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccc(C)o1 ZINC000624089749 1127249235 /nfs/dbraw/zinc/24/92/35/1127249235.db2.gz YCVCMJIPJWNHMJ-OAHLLOKOSA-N 1 2 336.395 3.974 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cc(C)c(Br)cn3)n2c1 ZINC000181736718 1127293381 /nfs/dbraw/zinc/29/33/81/1127293381.db2.gz OKWMTKNRHVFWHI-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000182878276 1127351756 /nfs/dbraw/zinc/35/17/56/1127351756.db2.gz NRVCAMMOPPLSRV-ZDUSSCGKSA-N 1 2 349.381 3.693 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000183117520 1127363411 /nfs/dbraw/zinc/36/34/11/1127363411.db2.gz CCGKZVOTWZPMEQ-OYHNWAKOSA-N 1 2 330.478 3.506 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 ZINC000184188173 1127397429 /nfs/dbraw/zinc/39/74/29/1127397429.db2.gz PDSZRQUVFIFPHA-DOTOQJQBSA-N 1 2 345.512 3.658 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184195409 1127397896 /nfs/dbraw/zinc/39/78/96/1127397896.db2.gz AJPPCJIGEVYQMC-NXEZZACHSA-N 1 2 341.839 3.922 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000184465282 1127405580 /nfs/dbraw/zinc/40/55/80/1127405580.db2.gz YCZLQFBSQMCNTG-LLVKDONJSA-N 1 2 335.448 3.869 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cs1 ZINC000184672965 1127411361 /nfs/dbraw/zinc/41/13/61/1127411361.db2.gz JUWJJXFFKHFJAF-LIRRHRJNSA-N 1 2 345.512 3.870 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)cs1 ZINC000184702045 1127411905 /nfs/dbraw/zinc/41/19/05/1127411905.db2.gz GKFZAAOGBBRLSZ-ZIAGYGMSSA-N 1 2 325.522 3.687 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1SC)c1ccc(C)o1 ZINC000184728173 1127411937 /nfs/dbraw/zinc/41/19/37/1127411937.db2.gz WOQBTAWQHMLFNU-HIFRSBDPSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000184827256 1127413845 /nfs/dbraw/zinc/41/38/45/1127413845.db2.gz WWYBQMIFMNLIDO-CXAGYDPISA-N 1 2 348.418 3.594 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1nc2ccc(C)cc2s1)c1nccs1 ZINC000185058338 1127419386 /nfs/dbraw/zinc/41/93/86/1127419386.db2.gz OMSDAEFVSPJXDZ-NSHDSACASA-N 1 2 346.481 3.741 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000193218930 1127434464 /nfs/dbraw/zinc/43/44/64/1127434464.db2.gz ISAOSPPZAILIFO-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000185841963 1127432444 /nfs/dbraw/zinc/43/24/44/1127432444.db2.gz UORYBLPGQWUOGM-UHFFFAOYSA-N 1 2 343.333 3.672 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000193469485 1127438041 /nfs/dbraw/zinc/43/80/41/1127438041.db2.gz VQCZVRJUWLJHEY-OAHLLOKOSA-N 1 2 345.512 3.709 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000193469485 1127438042 /nfs/dbraw/zinc/43/80/42/1127438042.db2.gz VQCZVRJUWLJHEY-OAHLLOKOSA-N 1 2 345.512 3.709 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)ccc1F ZINC000764485628 1127500023 /nfs/dbraw/zinc/50/00/23/1127500023.db2.gz IDABOYOITBGATO-KRWDZBQOSA-N 1 2 343.427 3.712 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)ccc1F ZINC000764485628 1127500025 /nfs/dbraw/zinc/50/00/25/1127500025.db2.gz IDABOYOITBGATO-KRWDZBQOSA-N 1 2 343.427 3.712 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001137526456 1127551325 /nfs/dbraw/zinc/55/13/25/1127551325.db2.gz QJQCSKKWJMSIGR-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001137526456 1127551328 /nfs/dbraw/zinc/55/13/28/1127551328.db2.gz QJQCSKKWJMSIGR-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058679 1127568304 /nfs/dbraw/zinc/56/83/04/1127568304.db2.gz WIEDDQNERSXOKS-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058679 1127568308 /nfs/dbraw/zinc/56/83/08/1127568308.db2.gz WIEDDQNERSXOKS-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2c(=O)sc3c2CC[C@H](C)C3)n1 ZINC000765106820 1127573773 /nfs/dbraw/zinc/57/37/73/1127573773.db2.gz RECACLJNAXLSMP-BBRMVZONSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2c(=O)sc3c2CC[C@H](C)C3)n1 ZINC000765106820 1127573778 /nfs/dbraw/zinc/57/37/78/1127573778.db2.gz RECACLJNAXLSMP-BBRMVZONSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2c(=O)sc3c2CC[C@@H](C)C3)n1 ZINC000765106824 1127573994 /nfs/dbraw/zinc/57/39/94/1127573994.db2.gz RECACLJNAXLSMP-CZUORRHYSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2c(=O)sc3c2CC[C@@H](C)C3)n1 ZINC000765106824 1127573996 /nfs/dbraw/zinc/57/39/96/1127573996.db2.gz RECACLJNAXLSMP-CZUORRHYSA-N 1 2 343.496 3.533 20 0 EHADLO CNc1ccc(Nc2cc(C(=O)OCC(C)C)cc(N)c2Cl)c[nH+]1 ZINC001203456668 1127594882 /nfs/dbraw/zinc/59/48/82/1127594882.db2.gz PUVBMNRCBBNFHP-UHFFFAOYSA-N 1 2 348.834 3.915 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000654608103 1127596314 /nfs/dbraw/zinc/59/63/14/1127596314.db2.gz JCPPBBUTESBGLH-ZTFGCOKTSA-N 1 2 344.434 3.766 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)o1 ZINC000015296558 1127651792 /nfs/dbraw/zinc/65/17/92/1127651792.db2.gz ANJRPPXIBPQKOS-IBGZPJMESA-N 1 2 328.456 3.923 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)o1 ZINC000015296558 1127651795 /nfs/dbraw/zinc/65/17/95/1127651795.db2.gz ANJRPPXIBPQKOS-IBGZPJMESA-N 1 2 328.456 3.923 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000023330006 1127695923 /nfs/dbraw/zinc/69/59/23/1127695923.db2.gz PHWZYRHWFPAMBG-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000023330006 1127695927 /nfs/dbraw/zinc/69/59/27/1127695927.db2.gz PHWZYRHWFPAMBG-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO CC(C)(C)c1coc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000921577122 1127755187 /nfs/dbraw/zinc/75/51/87/1127755187.db2.gz FEZHULBACNKXSA-LJQANCHMSA-N 1 2 342.439 3.984 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)OCCO2 ZINC000921581389 1127756502 /nfs/dbraw/zinc/75/65/02/1127756502.db2.gz ZTHXXJRODRYUPJ-AWEZNQCLSA-N 1 2 330.428 3.984 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000624283769 1127771095 /nfs/dbraw/zinc/77/10/95/1127771095.db2.gz YLJQKQCZSZHNOP-UHFFFAOYSA-N 1 2 349.381 3.841 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000029333047 1127798872 /nfs/dbraw/zinc/79/88/72/1127798872.db2.gz TZFBFNYNPHYCGO-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000029333047 1127798877 /nfs/dbraw/zinc/79/88/77/1127798877.db2.gz TZFBFNYNPHYCGO-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000265598887 1127815518 /nfs/dbraw/zinc/81/55/18/1127815518.db2.gz BXJWMPAJZGGHDM-OLZOCXBDSA-N 1 2 339.361 3.600 20 0 EHADLO CO[C@H](CN1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000338565498 1127817574 /nfs/dbraw/zinc/81/75/74/1127817574.db2.gz XSSMHOPOMLWRJK-VQIMIIECSA-N 1 2 330.497 3.814 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nncn2C)[C@@H]2CCc3ccccc32)cc1 ZINC000103469067 1127837683 /nfs/dbraw/zinc/83/76/83/1127837683.db2.gz ZFIIKDOVUAPIMO-HXUWFJFHSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nncn2C)[C@@H]2CCc3ccccc32)cc1 ZINC000103469067 1127837688 /nfs/dbraw/zinc/83/76/88/1127837688.db2.gz ZFIIKDOVUAPIMO-HXUWFJFHSA-N 1 2 332.451 3.813 20 0 EHADLO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1ccon1 ZINC000077313920 1127854730 /nfs/dbraw/zinc/85/47/30/1127854730.db2.gz BYRLMVULOVUUQZ-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1ccon1 ZINC000077313920 1127854737 /nfs/dbraw/zinc/85/47/37/1127854737.db2.gz BYRLMVULOVUUQZ-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000041625903 1127876844 /nfs/dbraw/zinc/87/68/44/1127876844.db2.gz SZCFCEVCWSUTSE-UKRRQHHQSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000041625903 1127876848 /nfs/dbraw/zinc/87/68/48/1127876848.db2.gz SZCFCEVCWSUTSE-UKRRQHHQSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043500025 1127920916 /nfs/dbraw/zinc/92/09/16/1127920916.db2.gz IMVDFFCUQPYFIE-ZIAGYGMSSA-N 1 2 336.505 3.829 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc(C3CCOCC3)cc2)c1 ZINC001212360566 1127980065 /nfs/dbraw/zinc/98/00/65/1127980065.db2.gz WSILPGOHQJLSBD-UHFFFAOYSA-N 1 2 339.439 3.556 20 0 EHADLO Clc1nc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2s1 ZINC001212360558 1127980177 /nfs/dbraw/zinc/98/01/77/1127980177.db2.gz WLSOAQHZQRUAEN-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO Fc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1C(F)(F)F ZINC001212362359 1127998927 /nfs/dbraw/zinc/99/89/27/1127998927.db2.gz LWWJJFPLGXAKMN-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000047028592 1127998932 /nfs/dbraw/zinc/99/89/32/1127998932.db2.gz VOESLCRWUFTBJR-HNNXBMFYSA-N 1 2 336.395 3.886 20 0 EHADLO Cc1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc(C)c1O ZINC000047538076 1128010260 /nfs/dbraw/zinc/01/02/60/1128010260.db2.gz DJQZOPLUYQUWAH-UHFFFAOYSA-N 1 2 345.406 3.750 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC/C=C/c3ccccc3)sc2C1 ZINC000265695423 1128011504 /nfs/dbraw/zinc/01/15/04/1128011504.db2.gz ZXYVNMKMHLZQPP-WEVVVXLNSA-N 1 2 327.453 3.563 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC/C=C/c3ccccc3)sc2C1 ZINC000265695423 1128011507 /nfs/dbraw/zinc/01/15/07/1128011507.db2.gz ZXYVNMKMHLZQPP-WEVVVXLNSA-N 1 2 327.453 3.563 20 0 EHADLO Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1OC(F)F ZINC001212364885 1128030163 /nfs/dbraw/zinc/03/01/63/1128030163.db2.gz XXHINBHACRIDNW-UHFFFAOYSA-N 1 2 335.354 3.572 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(O)c1 ZINC000058481882 1128070070 /nfs/dbraw/zinc/07/00/70/1128070070.db2.gz ZSTHPLNCOAOITG-ZDUSSCGKSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(O)c1 ZINC000058481882 1128070074 /nfs/dbraw/zinc/07/00/74/1128070074.db2.gz ZSTHPLNCOAOITG-ZDUSSCGKSA-N 1 2 345.468 3.641 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CC=C(c2cccc3ccccc32)CC1 ZINC000063738794 1128153879 /nfs/dbraw/zinc/15/38/79/1128153879.db2.gz ROZBEWIUXBCLIZ-UHFFFAOYSA-N 1 2 341.418 3.810 20 0 EHADLO CC(C)COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063805093 1128157245 /nfs/dbraw/zinc/15/72/45/1128157245.db2.gz KIAODSXDYFDIJT-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065924701 1128207494 /nfs/dbraw/zinc/20/74/94/1128207494.db2.gz FIIYZBUAPLZYNZ-ZVBHREPYSA-N 1 2 335.451 3.582 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000066435319 1128217960 /nfs/dbraw/zinc/21/79/60/1128217960.db2.gz KECXPMZLWJJGAU-IEBWSBKVSA-N 1 2 336.545 3.504 20 0 EHADLO FC(F)c1nc2ccccc2c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000066465718 1128219380 /nfs/dbraw/zinc/21/93/80/1128219380.db2.gz PAQWWAJRSZHOSC-UHFFFAOYSA-N 1 2 329.354 3.605 20 0 EHADLO Cc1ccnc([C@@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)c1 ZINC000624371760 1128230395 /nfs/dbraw/zinc/23/03/95/1128230395.db2.gz WXAVKUSMWAMPPL-OAHLLOKOSA-N 1 2 329.407 3.580 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3cc(C)no3)o2)cc1 ZINC000068474455 1128267772 /nfs/dbraw/zinc/26/77/72/1128267772.db2.gz LRBHDYACYFATKQ-MRXNPFEDSA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3cc(C)no3)o2)cc1 ZINC000068474455 1128267773 /nfs/dbraw/zinc/26/77/73/1128267773.db2.gz LRBHDYACYFATKQ-MRXNPFEDSA-N 1 2 339.395 3.984 20 0 EHADLO CCCCc1oc2ccccc2c1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000072830026 1128306945 /nfs/dbraw/zinc/30/69/45/1128306945.db2.gz BROLJGOXFYHRKU-UHFFFAOYSA-N 1 2 325.412 3.631 20 0 EHADLO Cc1cccc(COc2ccc([C@H](C)NC(=O)Cn3cc[nH+]c3)cc2)c1 ZINC000073334454 1128321452 /nfs/dbraw/zinc/32/14/52/1128321452.db2.gz IHOKUTIQAHQMRE-KRWDZBQOSA-N 1 2 349.434 3.648 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000073171640 1128318258 /nfs/dbraw/zinc/31/82/58/1128318258.db2.gz KCOUEMCCQLUIGB-QGZVFWFLSA-N 1 2 333.435 3.741 20 0 EHADLO FCC[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000624652225 1128418293 /nfs/dbraw/zinc/41/82/93/1128418293.db2.gz XHVRWXIVAZHWOE-NSHDSACASA-N 1 2 339.208 3.562 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 ZINC000654996623 1128373011 /nfs/dbraw/zinc/37/30/11/1128373011.db2.gz LXDSAECEMPWGGP-DAWZGUTISA-N 1 2 339.483 3.892 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CCN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000624652732 1128419321 /nfs/dbraw/zinc/41/93/21/1128419321.db2.gz OMYPLSCYWUPFIX-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CCN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000624652732 1128419322 /nfs/dbraw/zinc/41/93/22/1128419322.db2.gz OMYPLSCYWUPFIX-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO Cc1ccn([C@@H](C)CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)n1 ZINC000921652402 1128434258 /nfs/dbraw/zinc/43/42/58/1128434258.db2.gz HWHYTIDZTZPGDE-ZDUSSCGKSA-N 1 2 337.427 3.788 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cscc1Br ZINC000352742628 1128434302 /nfs/dbraw/zinc/43/43/02/1128434302.db2.gz PIEDZPAFANXFKJ-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3(Br)CC3)cc2)[nH+]c1C ZINC000921653466 1128436083 /nfs/dbraw/zinc/43/60/83/1128436083.db2.gz DMXOVVOXZJKVDR-UHFFFAOYSA-N 1 2 334.217 3.560 20 0 EHADLO COCC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCCC1 ZINC000921657605 1128438635 /nfs/dbraw/zinc/43/86/35/1128438635.db2.gz WQXQGWWCCXDWHC-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)cc2)[nH+]c1C ZINC000921661982 1128440889 /nfs/dbraw/zinc/44/08/89/1128440889.db2.gz KFPBPKASHLAXEY-PIGZYNQJSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)cc2)[nH+]c1C ZINC000921661933 1128441049 /nfs/dbraw/zinc/44/10/49/1128441049.db2.gz JVKCOLMSARGIHX-XHDPSFHLSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)ccn12 ZINC000655162442 1128471827 /nfs/dbraw/zinc/47/18/27/1128471827.db2.gz NNJGJAZQYMCRQI-HXUWFJFHSA-N 1 2 337.398 3.586 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899786 1128536057 /nfs/dbraw/zinc/53/60/57/1128536057.db2.gz YVMWIAVCKJAHKE-MRXNPFEDSA-N 1 2 349.434 3.588 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899786 1128536061 /nfs/dbraw/zinc/53/60/61/1128536061.db2.gz YVMWIAVCKJAHKE-MRXNPFEDSA-N 1 2 349.434 3.588 20 0 EHADLO Cc1noc([C@@H]2OCC[C@@H]2Nc2cc[nH+]c3cc(F)c(Cl)cc23)n1 ZINC000624751729 1128634816 /nfs/dbraw/zinc/63/48/16/1128634816.db2.gz DQEROFKSCGODCH-DZGCQCFKSA-N 1 2 348.765 3.661 20 0 EHADLO Cc1ccc(N[C@H]2CCNc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001168650964 1128654720 /nfs/dbraw/zinc/65/47/20/1128654720.db2.gz WCLSKNVUHGQERL-NRFANRHFSA-N 1 2 337.467 3.796 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000475116092 1128679925 /nfs/dbraw/zinc/67/99/25/1128679925.db2.gz IRLGLNSBBBSCFY-IEBWSBKVSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(-c2ccncc2)n1 ZINC000057828865 1128714764 /nfs/dbraw/zinc/71/47/64/1128714764.db2.gz RYJHCNUVRDGVMJ-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO CC[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1F ZINC000172621615 1128739845 /nfs/dbraw/zinc/73/98/45/1128739845.db2.gz YDHWASDSGVPPPP-MSOLQXFVSA-N 1 2 332.394 3.835 20 0 EHADLO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000018181497 1128782403 /nfs/dbraw/zinc/78/24/03/1128782403.db2.gz WIWQNPZODZFFOE-UHFFFAOYSA-N 1 2 335.860 3.751 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338736703 1128793058 /nfs/dbraw/zinc/79/30/58/1128793058.db2.gz MWCUENOBUNXRCP-UHFFFAOYSA-N 1 2 331.419 3.681 20 0 EHADLO Brc1c[nH]c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000921837842 1128800899 /nfs/dbraw/zinc/80/08/99/1128800899.db2.gz FWOSEFGZTXCVJL-GFCCVEGCSA-N 1 2 348.244 3.708 20 0 EHADLO Cc1ccnc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1Br ZINC000672243898 1128877799 /nfs/dbraw/zinc/87/77/99/1128877799.db2.gz UKEXEXMAAUIRKY-AWEZNQCLSA-N 1 2 332.245 3.751 20 0 EHADLO Cc1ccnc(N[C@H]2C[N@H+](C)Cc3ccccc32)c1Br ZINC000672243898 1128877805 /nfs/dbraw/zinc/87/78/05/1128877805.db2.gz UKEXEXMAAUIRKY-AWEZNQCLSA-N 1 2 332.245 3.751 20 0 EHADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)sc1-c1ccc(F)cc1 ZINC000338758569 1128882934 /nfs/dbraw/zinc/88/29/34/1128882934.db2.gz WVMQVXZLOUAJNQ-UHFFFAOYSA-N 1 2 343.427 3.879 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cs1 ZINC000111407007 1120019014 /nfs/dbraw/zinc/01/90/14/1120019014.db2.gz TXUHHXKLAVGKAD-NSHDSACASA-N 1 2 336.457 3.582 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c(C)[nH+]1 ZINC001648801787 1120041341 /nfs/dbraw/zinc/04/13/41/1120041341.db2.gz MCVGVCHOCDHXPV-SFHVURJKSA-N 1 2 325.456 3.873 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@]3(C)CCCS3)ccc21 ZINC001670371388 1120043811 /nfs/dbraw/zinc/04/38/11/1120043811.db2.gz QQVRKZXWQSFZOI-SFHVURJKSA-N 1 2 344.484 3.708 20 0 EHADLO COc1cccc(NC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c1 ZINC001670371853 1120044444 /nfs/dbraw/zinc/04/44/44/1120044444.db2.gz YTLTYDMQPZIZNF-UHFFFAOYSA-N 1 2 336.395 3.953 20 0 EHADLO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc(-c2cccs2)s1 ZINC001648854665 1120055422 /nfs/dbraw/zinc/05/54/22/1120055422.db2.gz DXJNVWYJTRYLNO-GFCCVEGCSA-N 1 2 332.494 3.785 20 0 EHADLO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc(-c2cccs2)s1 ZINC001648854665 1120055426 /nfs/dbraw/zinc/05/54/26/1120055426.db2.gz DXJNVWYJTRYLNO-GFCCVEGCSA-N 1 2 332.494 3.785 20 0 EHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000200377328 1120085104 /nfs/dbraw/zinc/08/51/04/1120085104.db2.gz SYLICOVENDROHO-MRXNPFEDSA-N 1 2 336.863 3.880 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)[C@@H](CCO)c3ccccc3)n2)cc1 ZINC000075898434 1128890351 /nfs/dbraw/zinc/89/03/51/1128890351.db2.gz UGNDVUAODORGPB-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)[C@@H](CCO)c3ccccc3)n2)cc1 ZINC000075898434 1128890356 /nfs/dbraw/zinc/89/03/56/1128890356.db2.gz UGNDVUAODORGPB-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO Brc1cc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cs1 ZINC000126864483 1120138082 /nfs/dbraw/zinc/13/80/82/1120138082.db2.gz LSYCWTJFNVNSQD-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2cccc(Cl)c2C1 ZINC001687362727 1120175981 /nfs/dbraw/zinc/17/59/81/1120175981.db2.gz FMMKREDYDLIVAR-GOSISDBHSA-N 1 2 341.842 3.552 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2cccc(Cl)c2C1 ZINC001687362727 1120175986 /nfs/dbraw/zinc/17/59/86/1120175986.db2.gz FMMKREDYDLIVAR-GOSISDBHSA-N 1 2 341.842 3.552 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2sccc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251803620 1120329288 /nfs/dbraw/zinc/32/92/88/1120329288.db2.gz YEMDHAVSDVGZNP-HBUWYVDXSA-N 1 2 346.496 3.974 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC000184578351 1120380480 /nfs/dbraw/zinc/38/04/80/1120380480.db2.gz KPHANCVNNJXUAN-AUUYWEPGSA-N 1 2 346.425 3.585 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000184858251 1120389767 /nfs/dbraw/zinc/38/97/67/1120389767.db2.gz JJOXZLXAKGZJFV-PKOBYXMFSA-N 1 2 340.471 3.532 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000184858304 1120390052 /nfs/dbraw/zinc/39/00/52/1120390052.db2.gz JJOXZLXAKGZJFV-MJGOQNOKSA-N 1 2 340.471 3.532 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185324468 1120409625 /nfs/dbraw/zinc/40/96/25/1120409625.db2.gz IAJOTULROGWYHE-HNNXBMFYSA-N 1 2 344.405 3.955 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185324468 1120409629 /nfs/dbraw/zinc/40/96/29/1120409629.db2.gz IAJOTULROGWYHE-HNNXBMFYSA-N 1 2 344.405 3.955 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000076402389 1128918723 /nfs/dbraw/zinc/91/87/23/1128918723.db2.gz MIFNWMOOPWVKKX-KRWDZBQOSA-N 1 2 332.469 3.723 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000076402389 1128918726 /nfs/dbraw/zinc/91/87/26/1128918726.db2.gz MIFNWMOOPWVKKX-KRWDZBQOSA-N 1 2 332.469 3.723 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[S@]1=O ZINC000187555105 1120502523 /nfs/dbraw/zinc/50/25/23/1120502523.db2.gz ABBYBVFVGCTYKE-XMMPIXPASA-N 1 2 345.512 3.508 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[S@]1=O ZINC000187555105 1120502524 /nfs/dbraw/zinc/50/25/24/1120502524.db2.gz ABBYBVFVGCTYKE-XMMPIXPASA-N 1 2 345.512 3.508 20 0 EHADLO C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1cnccn1 ZINC000494529746 1120584370 /nfs/dbraw/zinc/58/43/70/1120584370.db2.gz OIWGAUCOMGIVDN-TVQRCGJNSA-N 1 2 336.258 3.737 20 0 EHADLO O=C(Nc1csc(-c2ccccc2)n1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000672332988 1128934306 /nfs/dbraw/zinc/93/43/06/1128934306.db2.gz ALQAPJNRMOIOHQ-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494661764 1120714953 /nfs/dbraw/zinc/71/49/53/1120714953.db2.gz PVUYOECHTOGYQX-GOSISDBHSA-N 1 2 343.496 3.700 20 0 EHADLO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494661764 1120714958 /nfs/dbraw/zinc/71/49/58/1120714958.db2.gz PVUYOECHTOGYQX-GOSISDBHSA-N 1 2 343.496 3.700 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494690392 1120722025 /nfs/dbraw/zinc/72/20/25/1120722025.db2.gz KKXQGGMBKLYZGN-TZMCWYRMSA-N 1 2 333.457 3.750 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494690392 1120722030 /nfs/dbraw/zinc/72/20/30/1120722030.db2.gz KKXQGGMBKLYZGN-TZMCWYRMSA-N 1 2 333.457 3.750 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)CCS1 ZINC000192188686 1120723927 /nfs/dbraw/zinc/72/39/27/1120723927.db2.gz AAKWRMVOCQUSAR-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)CCS1 ZINC000192188686 1120723931 /nfs/dbraw/zinc/72/39/31/1120723931.db2.gz AAKWRMVOCQUSAR-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO CC(C)CC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000156907585 1128938694 /nfs/dbraw/zinc/93/86/94/1128938694.db2.gz BPXJHXRTYDAYRU-UHFFFAOYSA-N 1 2 330.472 3.674 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC1CC1 ZINC000195294123 1120775302 /nfs/dbraw/zinc/77/53/02/1120775302.db2.gz FGPMNKADNMCEOK-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccnc1Cl ZINC000153197499 1120837187 /nfs/dbraw/zinc/83/71/87/1120837187.db2.gz UOHZIYPRXMBNKB-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccnc1Cl ZINC000153197499 1120837192 /nfs/dbraw/zinc/83/71/92/1120837192.db2.gz UOHZIYPRXMBNKB-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000494923988 1120906713 /nfs/dbraw/zinc/90/67/13/1120906713.db2.gz RXXBTBBJARIMSV-MRXNPFEDSA-N 1 2 338.879 3.572 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000494923988 1120906717 /nfs/dbraw/zinc/90/67/17/1120906717.db2.gz RXXBTBBJARIMSV-MRXNPFEDSA-N 1 2 338.879 3.572 20 0 EHADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837664 1120908619 /nfs/dbraw/zinc/90/86/19/1120908619.db2.gz OOMYKXWRPYRJHZ-WCQYABFASA-N 1 2 338.238 3.998 20 0 EHADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837664 1120908621 /nfs/dbraw/zinc/90/86/21/1120908621.db2.gz OOMYKXWRPYRJHZ-WCQYABFASA-N 1 2 338.238 3.998 20 0 EHADLO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)s1 ZINC000542530447 1120925144 /nfs/dbraw/zinc/92/51/44/1120925144.db2.gz FBLWWNYAUMAUQL-ABAIWWIYSA-N 1 2 340.452 3.640 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433195852 1120941338 /nfs/dbraw/zinc/94/13/38/1120941338.db2.gz ZEABXWLDFNMKCD-WBMJQRKESA-N 1 2 334.261 3.766 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433195852 1120941342 /nfs/dbraw/zinc/94/13/42/1120941342.db2.gz ZEABXWLDFNMKCD-WBMJQRKESA-N 1 2 334.261 3.766 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1(CC)CC ZINC000495096090 1120952082 /nfs/dbraw/zinc/95/20/82/1120952082.db2.gz ZNOHGLYBGNEDDA-GVDBMIGSSA-N 1 2 334.508 4.000 20 0 EHADLO CCCC[N@H+](Cn1ncn(-c2ccccc2OC)c1=S)C1CC1 ZINC000914784729 1120985686 /nfs/dbraw/zinc/98/56/86/1120985686.db2.gz CFCKLYOUKBFGBQ-UHFFFAOYSA-N 1 2 332.473 3.634 20 0 EHADLO CCCC[N@@H+](Cn1ncn(-c2ccccc2OC)c1=S)C1CC1 ZINC000914784729 1120985687 /nfs/dbraw/zinc/98/56/87/1120985687.db2.gz CFCKLYOUKBFGBQ-UHFFFAOYSA-N 1 2 332.473 3.634 20 0 EHADLO Cc1cccn2cc(Cc3noc(/C=C\c4ccccc4F)n3)[nH+]c12 ZINC000761891797 1121003700 /nfs/dbraw/zinc/00/37/00/1121003700.db2.gz TUHOHTUAPUMAMM-HJWRWDBZSA-N 1 2 334.354 3.926 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000122652084 1121006141 /nfs/dbraw/zinc/00/61/41/1121006141.db2.gz GSQPPJCCEFVOFP-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000122652084 1121006144 /nfs/dbraw/zinc/00/61/44/1121006144.db2.gz GSQPPJCCEFVOFP-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762138903 1121126284 /nfs/dbraw/zinc/12/62/84/1121126284.db2.gz NTEVDQSCCMMTDP-OAHLLOKOSA-N 1 2 328.485 3.934 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762138903 1121126288 /nfs/dbraw/zinc/12/62/88/1121126288.db2.gz NTEVDQSCCMMTDP-OAHLLOKOSA-N 1 2 328.485 3.934 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(F)c1)[C@@H]2C ZINC001168487745 1121176873 /nfs/dbraw/zinc/17/68/73/1121176873.db2.gz QLVDGPZJXXWWJR-LSDHHAIUSA-N 1 2 331.435 3.567 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(F)c1)[C@@H]2C ZINC001168487745 1121176876 /nfs/dbraw/zinc/17/68/76/1121176876.db2.gz QLVDGPZJXXWWJR-LSDHHAIUSA-N 1 2 331.435 3.567 20 0 EHADLO Cc1cc(NCc2cc(Cl)c3c(c2)OCCO3)nc(C(C)C)[nH+]1 ZINC000915210863 1121247764 /nfs/dbraw/zinc/24/77/64/1121247764.db2.gz AWQNGTLFIPNJIE-UHFFFAOYSA-N 1 2 333.819 3.945 20 0 EHADLO CC(C)[N@H+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915207941 1121252915 /nfs/dbraw/zinc/25/29/15/1121252915.db2.gz JJCFYKMJOPDZIF-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CC(C)[N@@H+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915207941 1121252921 /nfs/dbraw/zinc/25/29/21/1121252921.db2.gz JJCFYKMJOPDZIF-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nnn(-c3ccccc3)c2=S)[C@@H]2CCCC[C@H]12 ZINC000915209687 1121252960 /nfs/dbraw/zinc/25/29/60/1121252960.db2.gz MRTRJJIHSPEZLJ-DJIMGWMZSA-N 1 2 343.500 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)[C@@H]2CCCC[C@H]12 ZINC000915209687 1121252966 /nfs/dbraw/zinc/25/29/66/1121252966.db2.gz MRTRJJIHSPEZLJ-DJIMGWMZSA-N 1 2 343.500 3.656 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000915279280 1121301087 /nfs/dbraw/zinc/30/10/87/1121301087.db2.gz UITKCAUDGQZXAO-VOTSOKGWSA-N 1 2 349.478 3.937 20 0 EHADLO CCCn1c(CO)nn(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762456985 1121310302 /nfs/dbraw/zinc/31/03/02/1121310302.db2.gz AIRBQTBHUCLAEC-MRXNPFEDSA-N 1 2 346.500 3.501 20 0 EHADLO CCCn1c(CO)nn(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762456985 1121310312 /nfs/dbraw/zinc/31/03/12/1121310312.db2.gz AIRBQTBHUCLAEC-MRXNPFEDSA-N 1 2 346.500 3.501 20 0 EHADLO Cc1cccc(-c2nnc(SCc3cc[nH+]c(N(C)C)c3)n2C)c1 ZINC000762467033 1121319113 /nfs/dbraw/zinc/31/91/13/1121319113.db2.gz AVJSMKNQQRUSKY-UHFFFAOYSA-N 1 2 339.468 3.544 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(F)=C1CCCC1 ZINC000762606258 1121380717 /nfs/dbraw/zinc/38/07/17/1121380717.db2.gz YNLOHTISMRVYRK-UHFFFAOYSA-N 1 2 345.462 3.944 20 0 EHADLO CCc1ocnc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000265799245 1128981646 /nfs/dbraw/zinc/98/16/46/1128981646.db2.gz VAZNGFCGZMIJNJ-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO CCOc1ccc(OCC)c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237095968 1121473253 /nfs/dbraw/zinc/47/32/53/1121473253.db2.gz AJKYXPFCDXJGQP-UHFFFAOYSA-N 1 2 341.455 3.960 20 0 EHADLO O=C(Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1)C1CC1 ZINC000238116887 1121503924 /nfs/dbraw/zinc/50/39/24/1121503924.db2.gz PQXUPDFRXCDHEE-UHFFFAOYSA-N 1 2 336.439 3.511 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000915604424 1121558418 /nfs/dbraw/zinc/55/84/18/1121558418.db2.gz ILWOBPKDBOECMY-FPLPWBNLSA-N 1 2 349.478 3.805 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC001235491410 1121614331 /nfs/dbraw/zinc/61/43/31/1121614331.db2.gz GHTYFSQEZFFWLT-MNOVXSKESA-N 1 2 346.240 3.596 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC001235491410 1121614334 /nfs/dbraw/zinc/61/43/34/1121614334.db2.gz GHTYFSQEZFFWLT-MNOVXSKESA-N 1 2 346.240 3.596 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cc(Cl)ccc1F ZINC001168498672 1121619289 /nfs/dbraw/zinc/61/92/89/1121619289.db2.gz SIOJRKJQNKZUTG-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000763003869 1121651172 /nfs/dbraw/zinc/65/11/72/1121651172.db2.gz RDWCVZAXIWQCMK-FQEVSTJZSA-N 1 2 349.434 3.578 20 0 EHADLO Cc1cc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)nc(C2CC2)[nH+]1 ZINC000763073087 1121673725 /nfs/dbraw/zinc/67/37/25/1121673725.db2.gz PTRDPYBUZCTBDZ-KRWDZBQOSA-N 1 2 327.403 3.504 20 0 EHADLO CCOc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225507 1121749398 /nfs/dbraw/zinc/74/93/98/1121749398.db2.gz ZLCNRHKRJKZRAV-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccc(OC)cc2)[nH]c1=S)C1CC1 ZINC000025480238 1121764945 /nfs/dbraw/zinc/76/49/45/1121764945.db2.gz IUKYZKDAQNKHCF-UHFFFAOYSA-N 1 2 332.473 3.838 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccc(OC)cc2)[nH]c1=S)C1CC1 ZINC000025480238 1121764950 /nfs/dbraw/zinc/76/49/50/1121764950.db2.gz IUKYZKDAQNKHCF-UHFFFAOYSA-N 1 2 332.473 3.838 20 0 EHADLO C[C@@H](C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265639 1121880572 /nfs/dbraw/zinc/88/05/72/1121880572.db2.gz LZFHGUHHVYQSSE-FZMZJTMJSA-N 1 2 329.893 3.782 20 0 EHADLO C[C@@H](C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265639 1121880577 /nfs/dbraw/zinc/88/05/77/1121880577.db2.gz LZFHGUHHVYQSSE-FZMZJTMJSA-N 1 2 329.893 3.782 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000672577277 1129017507 /nfs/dbraw/zinc/01/75/07/1129017507.db2.gz VNDAAPXFGLCMMX-MRXNPFEDSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000672577277 1129017510 /nfs/dbraw/zinc/01/75/10/1129017510.db2.gz VNDAAPXFGLCMMX-MRXNPFEDSA-N 1 2 338.411 3.723 20 0 EHADLO Cc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(Cl)n1 ZINC000496142081 1121934302 /nfs/dbraw/zinc/93/43/02/1121934302.db2.gz PVLROMUWWGKWQJ-UHFFFAOYSA-N 1 2 339.867 3.533 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763336144 1121967805 /nfs/dbraw/zinc/96/78/05/1121967805.db2.gz ZIFBTYFVIPMYSU-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763336144 1121967808 /nfs/dbraw/zinc/96/78/08/1121967808.db2.gz ZIFBTYFVIPMYSU-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO COC[C@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605531 1129025241 /nfs/dbraw/zinc/02/52/41/1129025241.db2.gz LWHMXGKOVWCGGH-ROUUACIJSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605531 1129025243 /nfs/dbraw/zinc/02/52/43/1129025243.db2.gz LWHMXGKOVWCGGH-ROUUACIJSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605531 1129025245 /nfs/dbraw/zinc/02/52/45/1129025245.db2.gz LWHMXGKOVWCGGH-ROUUACIJSA-N 1 2 348.849 3.943 20 0 EHADLO Fc1ccc(NC(=S)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000916014520 1122029277 /nfs/dbraw/zinc/02/92/77/1122029277.db2.gz CWTXMXWHAHVRJE-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C/C(Cl)=C\Cl)CC1 ZINC000496274443 1122043650 /nfs/dbraw/zinc/04/36/50/1122043650.db2.gz LPUBUSOXWIHPEX-ZRDIBKRKSA-N 1 2 335.275 3.781 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C/C(Cl)=C\Cl)CC1 ZINC000496274443 1122043657 /nfs/dbraw/zinc/04/36/57/1122043657.db2.gz LPUBUSOXWIHPEX-ZRDIBKRKSA-N 1 2 335.275 3.781 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(Cl)nc1C)c1ccccc1 ZINC000153859330 1122067747 /nfs/dbraw/zinc/06/77/47/1122067747.db2.gz ZRXXVFJMUDWSKL-QGZVFWFLSA-N 1 2 332.831 3.780 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(Cl)nc1C)c1ccccc1 ZINC000153859330 1122067755 /nfs/dbraw/zinc/06/77/55/1122067755.db2.gz ZRXXVFJMUDWSKL-QGZVFWFLSA-N 1 2 332.831 3.780 20 0 EHADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000916152362 1122082162 /nfs/dbraw/zinc/08/21/62/1122082162.db2.gz PUWOPVABQCIUJE-CQSZACIVSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000916152362 1122082167 /nfs/dbraw/zinc/08/21/67/1122082167.db2.gz PUWOPVABQCIUJE-CQSZACIVSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154123559 1122251107 /nfs/dbraw/zinc/25/11/07/1122251107.db2.gz JVFSTCZWMBWJDH-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO CCCCOCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000124008233 1122272066 /nfs/dbraw/zinc/27/20/66/1122272066.db2.gz DUONGNVZNUVSEO-UHFFFAOYSA-N 1 2 327.472 3.912 20 0 EHADLO CC[C@@H](SC)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125542463 1122320372 /nfs/dbraw/zinc/32/03/72/1122320372.db2.gz STRTTWKXEZZTPW-MRXNPFEDSA-N 1 2 340.920 3.516 20 0 EHADLO CC[C@@H](SC)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125542463 1122320376 /nfs/dbraw/zinc/32/03/76/1122320376.db2.gz STRTTWKXEZZTPW-MRXNPFEDSA-N 1 2 340.920 3.516 20 0 EHADLO Cc1cc(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000154161265 1122341490 /nfs/dbraw/zinc/34/14/90/1122341490.db2.gz JYIQNHCTPKUDOM-UHFFFAOYSA-N 1 2 347.459 3.756 20 0 EHADLO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126294161 1122400171 /nfs/dbraw/zinc/40/01/71/1122400171.db2.gz WMPLNGZHPVGFGO-SWLSCSKDSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126294161 1122400174 /nfs/dbraw/zinc/40/01/74/1122400174.db2.gz WMPLNGZHPVGFGO-SWLSCSKDSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)Cc2ccccc21 ZINC000917040912 1122444463 /nfs/dbraw/zinc/44/44/63/1122444463.db2.gz XSAIGEXDCHPILY-ZDUSSCGKSA-N 1 2 341.480 3.580 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)Cc2ccccc21 ZINC000917040912 1122444467 /nfs/dbraw/zinc/44/44/67/1122444467.db2.gz XSAIGEXDCHPILY-ZDUSSCGKSA-N 1 2 341.480 3.580 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccs1 ZINC000126972263 1122454762 /nfs/dbraw/zinc/45/47/62/1122454762.db2.gz DUHHBMINFJHIQY-GASCZTMLSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccs1 ZINC000126972263 1122454765 /nfs/dbraw/zinc/45/47/65/1122454765.db2.gz DUHHBMINFJHIQY-GASCZTMLSA-N 1 2 347.480 3.945 20 0 EHADLO CCc1oc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000127255372 1122473028 /nfs/dbraw/zinc/47/30/28/1122473028.db2.gz YDVZBLZASXSCTC-CRAIPNDOSA-N 1 2 348.393 3.604 20 0 EHADLO CCc1oc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000127255372 1122473029 /nfs/dbraw/zinc/47/30/29/1122473029.db2.gz YDVZBLZASXSCTC-CRAIPNDOSA-N 1 2 348.393 3.604 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066565842 1122474888 /nfs/dbraw/zinc/47/48/88/1122474888.db2.gz UUDWLOUEEWJNPD-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565842 1122474889 /nfs/dbraw/zinc/47/48/89/1122474889.db2.gz UUDWLOUEEWJNPD-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO CCS[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000066629138 1122477532 /nfs/dbraw/zinc/47/75/32/1122477532.db2.gz CYOIILLTTKCPEX-CQSZACIVSA-N 1 2 341.546 3.845 20 0 EHADLO Cc1ccc(N2CCC[N@H+](Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000917088901 1122486072 /nfs/dbraw/zinc/48/60/72/1122486072.db2.gz RQVJUPREIDQHCB-UHFFFAOYSA-N 1 2 348.450 3.757 20 0 EHADLO Cc1ccc(N2CCC[N@@H+](Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000917088901 1122486074 /nfs/dbraw/zinc/48/60/74/1122486074.db2.gz RQVJUPREIDQHCB-UHFFFAOYSA-N 1 2 348.450 3.757 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1Cl ZINC000128067027 1122526547 /nfs/dbraw/zinc/52/65/47/1122526547.db2.gz LXWRGSKKGBFYGI-KRWDZBQOSA-N 1 2 327.815 3.951 20 0 EHADLO Clc1ccc(Cc2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c(Cl)c1 ZINC000923756647 1122589613 /nfs/dbraw/zinc/58/96/13/1122589613.db2.gz DORHSXKGEHHUSW-GHMZBOCLSA-N 1 2 335.194 3.961 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000497599382 1122604976 /nfs/dbraw/zinc/60/49/76/1122604976.db2.gz BTTTUMPCJOLIGL-IBGZPJMESA-N 1 2 347.466 3.925 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000497599382 1122604981 /nfs/dbraw/zinc/60/49/81/1122604981.db2.gz BTTTUMPCJOLIGL-IBGZPJMESA-N 1 2 347.466 3.925 20 0 EHADLO C[C@@H](SCc1ccc(N)nc1)[C@H](C)SCc1ccc(N)[nH+]c1 ZINC000917535159 1122630936 /nfs/dbraw/zinc/63/09/36/1122630936.db2.gz ABOSWANICZIZPM-TXEJJXNPSA-N 1 2 334.514 3.585 20 0 EHADLO C[C@@H](SCc1ccc(N)[nH+]c1)[C@H](C)SCc1ccc(N)nc1 ZINC000917535159 1122630940 /nfs/dbraw/zinc/63/09/40/1122630940.db2.gz ABOSWANICZIZPM-TXEJJXNPSA-N 1 2 334.514 3.585 20 0 EHADLO O=C(Cc1csc(-c2ccccc2)n1)NNc1cc[nH+]cc1Cl ZINC000154442710 1122634028 /nfs/dbraw/zinc/63/40/28/1122634028.db2.gz YRWNLIUKVVYNAS-UHFFFAOYSA-N 1 2 344.827 3.544 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)oc21 ZINC000497912994 1122699822 /nfs/dbraw/zinc/69/98/22/1122699822.db2.gz MSFZHMKRPALAHE-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)oc21 ZINC000497912994 1122699823 /nfs/dbraw/zinc/69/98/23/1122699823.db2.gz MSFZHMKRPALAHE-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000918021357 1122731456 /nfs/dbraw/zinc/73/14/56/1122731456.db2.gz AXZGQYUDJJIRDG-LZNQSLFOSA-N 1 2 344.455 3.806 20 0 EHADLO COc1ccc(-c2cc(CO[NH+]=C(N)Cc3ccccc3)on2)cc1 ZINC000918186050 1122773534 /nfs/dbraw/zinc/77/35/34/1122773534.db2.gz QMZBCTYEYUQPGN-UHFFFAOYSA-N 1 2 337.379 3.591 20 0 EHADLO FC(F)n1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000347683268 1129077584 /nfs/dbraw/zinc/07/75/84/1129077584.db2.gz NCVPVGZKXNISRD-UHFFFAOYSA-N 1 2 335.398 3.502 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000129594734 1122808611 /nfs/dbraw/zinc/80/86/11/1122808611.db2.gz VCHBEDQINYXKBG-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO COc1cc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccn1 ZINC000556287562 1122918504 /nfs/dbraw/zinc/91/85/04/1122918504.db2.gz IDRAZOAEDWOTMY-UHFFFAOYSA-N 1 2 335.407 3.869 20 0 EHADLO C[C@H]1COCC[N@@H+]1CCSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000556325061 1122929493 /nfs/dbraw/zinc/92/94/93/1122929493.db2.gz LDOXMVZEZDSEOW-LBPRGKRZSA-N 1 2 338.860 3.808 20 0 EHADLO C[C@H]1COCC[N@H+]1CCSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000556325061 1122929497 /nfs/dbraw/zinc/92/94/97/1122929497.db2.gz LDOXMVZEZDSEOW-LBPRGKRZSA-N 1 2 338.860 3.808 20 0 EHADLO COc1cc(OC)c(C[N@H+](C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000130464269 1122953025 /nfs/dbraw/zinc/95/30/25/1122953025.db2.gz GDICVIFXIMDNQM-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(OC)c(C[N@@H+](C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000130464269 1122953028 /nfs/dbraw/zinc/95/30/28/1122953028.db2.gz GDICVIFXIMDNQM-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Cc1ccc(CN(C(=O)Cn2c[nH+]c(Cc3ccccc3)c2)C2CC2)o1 ZINC000919143787 1122986024 /nfs/dbraw/zinc/98/60/24/1122986024.db2.gz LVXIHJKKMULORH-UHFFFAOYSA-N 1 2 349.434 3.567 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000130816189 1123004529 /nfs/dbraw/zinc/00/45/29/1123004529.db2.gz RYGPBPYYWKWZQA-UHFFFAOYSA-N 1 2 344.459 3.976 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000130816189 1123004533 /nfs/dbraw/zinc/00/45/33/1123004533.db2.gz RYGPBPYYWKWZQA-UHFFFAOYSA-N 1 2 344.459 3.976 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC(C)(C)CC2)c1C ZINC000466014177 1129097938 /nfs/dbraw/zinc/09/79/38/1129097938.db2.gz XMRBOECRGYOZAA-UHFFFAOYSA-N 1 2 333.476 3.817 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)CC12CCCCC2 ZINC000498911196 1123108149 /nfs/dbraw/zinc/10/81/49/1123108149.db2.gz IASUSQKTANSKBO-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@H](C)c2cc(F)ccc2F)CC12CCCCC2 ZINC000498911196 1123108151 /nfs/dbraw/zinc/10/81/51/1123108151.db2.gz IASUSQKTANSKBO-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000072662877 1123138864 /nfs/dbraw/zinc/13/88/64/1123138864.db2.gz WTVCTUSHXZULQT-UHFFFAOYSA-N 1 2 345.512 3.795 20 0 EHADLO CC[C@](C)([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1nccs1 ZINC000072683349 1123142272 /nfs/dbraw/zinc/14/22/72/1123142272.db2.gz FSUBDQBMQZQWGA-HNNXBMFYSA-N 1 2 341.839 3.789 20 0 EHADLO COc1cc(C)sc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556857963 1123155240 /nfs/dbraw/zinc/15/52/40/1123155240.db2.gz JBNCJULCRHSBDN-HDJSIYSDSA-N 1 2 345.468 3.613 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc2ncccc2c1 ZINC000556860718 1123156243 /nfs/dbraw/zinc/15/62/43/1123156243.db2.gz UAFAIOHHKJZSIC-IYARVYRRSA-N 1 2 346.434 3.783 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802450 1123160401 /nfs/dbraw/zinc/16/04/01/1123160401.db2.gz APJMEXLYRHVKJO-GFCCVEGCSA-N 1 2 344.377 3.605 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875580 1123434451 /nfs/dbraw/zinc/43/44/51/1123434451.db2.gz PWYKBHYRXRONPY-IJEWVQPXSA-N 1 2 344.484 3.517 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000921185853 1123479980 /nfs/dbraw/zinc/47/99/80/1123479980.db2.gz ZVDYAUAOWVLZPV-AWEZNQCLSA-N 1 2 326.227 3.691 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000921185853 1123479983 /nfs/dbraw/zinc/47/99/83/1123479983.db2.gz ZVDYAUAOWVLZPV-AWEZNQCLSA-N 1 2 326.227 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)o1 ZINC000076546668 1123499913 /nfs/dbraw/zinc/49/99/13/1123499913.db2.gz WTERGKJYEVKPLA-GFCCVEGCSA-N 1 2 329.425 3.657 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)o1 ZINC000076546668 1123499917 /nfs/dbraw/zinc/49/99/17/1123499917.db2.gz WTERGKJYEVKPLA-GFCCVEGCSA-N 1 2 329.425 3.657 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)n1 ZINC000921472680 1123547694 /nfs/dbraw/zinc/54/76/94/1123547694.db2.gz OBXMYENCWYVTDW-AWEZNQCLSA-N 1 2 333.501 3.960 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000174949031 1123557991 /nfs/dbraw/zinc/55/79/91/1123557991.db2.gz AWHZNRFFZAHKSP-STQMWFEESA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000174949031 1123557993 /nfs/dbraw/zinc/55/79/93/1123557993.db2.gz AWHZNRFFZAHKSP-STQMWFEESA-N 1 2 336.530 3.715 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000064441324 1123618756 /nfs/dbraw/zinc/61/87/56/1123618756.db2.gz RXFWESRKGKZGIA-YXMGTMDOSA-N 1 2 331.847 3.781 20 0 EHADLO CC(C)[N@H+](Cc1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000078719460 1123647519 /nfs/dbraw/zinc/64/75/19/1123647519.db2.gz SYXPACIBYGNUHO-UHFFFAOYSA-N 1 2 343.377 3.612 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000078719460 1123647521 /nfs/dbraw/zinc/64/75/21/1123647521.db2.gz SYXPACIBYGNUHO-UHFFFAOYSA-N 1 2 343.377 3.612 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282330164 1129136974 /nfs/dbraw/zinc/13/69/74/1129136974.db2.gz NXNJHPQALINZQW-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000175391699 1123671647 /nfs/dbraw/zinc/67/16/47/1123671647.db2.gz DQCQZLOPRQRMET-HOTGVXAUSA-N 1 2 340.471 3.981 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136196419 1123675794 /nfs/dbraw/zinc/67/57/94/1123675794.db2.gz LYBDUOWNGLSXAH-SJORKVTESA-N 1 2 334.508 3.601 20 0 EHADLO O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000136551981 1123706056 /nfs/dbraw/zinc/70/60/56/1123706056.db2.gz FJLZGKQMYISECQ-UHFFFAOYSA-N 1 2 331.297 3.675 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)sc1Br ZINC000922134712 1129139925 /nfs/dbraw/zinc/13/99/25/1129139925.db2.gz RJINFIKMZSQMLO-ZANVPECISA-N 1 2 339.258 3.826 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000136945432 1123740714 /nfs/dbraw/zinc/74/07/14/1123740714.db2.gz ZPYAAWXOMWXSAL-KRWDZBQOSA-N 1 2 346.862 3.719 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccco1 ZINC000080239088 1123748060 /nfs/dbraw/zinc/74/80/60/1123748060.db2.gz YLUCZKWNMLRIKH-MRXNPFEDSA-N 1 2 331.803 3.596 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc2[nH]ccc21 ZINC000080589639 1123758026 /nfs/dbraw/zinc/75/80/26/1123758026.db2.gz SICUTGPCZIBESE-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000615454078 1123802726 /nfs/dbraw/zinc/80/27/26/1123802726.db2.gz RHGPFJDXPMFMIH-INIZCTEOSA-N 1 2 340.442 3.907 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000615454295 1123802999 /nfs/dbraw/zinc/80/29/99/1123802999.db2.gz ZUOLHCDDUVVAFP-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179704501 1123828695 /nfs/dbraw/zinc/82/86/95/1123828695.db2.gz HZMDITXZVJUWGW-CYBMUJFWSA-N 1 2 340.851 3.535 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179704501 1123828700 /nfs/dbraw/zinc/82/87/00/1123828700.db2.gz HZMDITXZVJUWGW-CYBMUJFWSA-N 1 2 340.851 3.535 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245573118 1123880643 /nfs/dbraw/zinc/88/06/43/1123880643.db2.gz CTKCAJZTKUVNIE-NVGVWMPQSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245573118 1123880649 /nfs/dbraw/zinc/88/06/49/1123880649.db2.gz CTKCAJZTKUVNIE-NVGVWMPQSA-N 1 2 338.854 3.777 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000081806477 1123904841 /nfs/dbraw/zinc/90/48/41/1123904841.db2.gz XEINCTQLOIMZNY-OAHLLOKOSA-N 1 2 337.423 3.772 20 0 EHADLO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245679020 1123921024 /nfs/dbraw/zinc/92/10/24/1123921024.db2.gz LWONDSKHYKXMEE-MOPGFXCFSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245679020 1123921026 /nfs/dbraw/zinc/92/10/26/1123921026.db2.gz LWONDSKHYKXMEE-MOPGFXCFSA-N 1 2 344.405 3.702 20 0 EHADLO Cc1[nH+]c(NCc2c(Cl)n[nH]c2C2CC2)ccc1-c1cnn(C)c1 ZINC000922149031 1129159330 /nfs/dbraw/zinc/15/93/30/1129159330.db2.gz JZNDWXRMUSMYJB-UHFFFAOYSA-N 1 2 342.834 3.657 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000246252773 1124062612 /nfs/dbraw/zinc/06/26/12/1124062612.db2.gz LUZIQYXFDHLDBJ-UKRRQHHQSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000246252773 1124062617 /nfs/dbraw/zinc/06/26/17/1124062617.db2.gz LUZIQYXFDHLDBJ-UKRRQHHQSA-N 1 2 343.496 3.640 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143615545 1129170114 /nfs/dbraw/zinc/17/01/14/1129170114.db2.gz DUZDUMDEMGYDFP-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143615545 1129170118 /nfs/dbraw/zinc/17/01/18/1129170118.db2.gz DUZDUMDEMGYDFP-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000617249446 1124456202 /nfs/dbraw/zinc/45/62/02/1124456202.db2.gz MAUVJHNUVYYHFM-GFCCVEGCSA-N 1 2 332.835 3.558 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247076972 1124585938 /nfs/dbraw/zinc/58/59/38/1124585938.db2.gz VVUZSEFKHZHMQP-HUUCEWRRSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247076972 1124585957 /nfs/dbraw/zinc/58/59/57/1124585957.db2.gz VVUZSEFKHZHMQP-HUUCEWRRSA-N 1 2 338.835 3.716 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCO3)CCO2)cc1Cl ZINC000249267514 1124749434 /nfs/dbraw/zinc/74/94/34/1124749434.db2.gz IRURBVVDSKSJLJ-CJNGLKHVSA-N 1 2 330.255 3.936 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCO3)CCO2)cc1Cl ZINC000249267514 1124749443 /nfs/dbraw/zinc/74/94/43/1124749443.db2.gz IRURBVVDSKSJLJ-CJNGLKHVSA-N 1 2 330.255 3.936 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000735071012 1131306581 /nfs/dbraw/zinc/30/65/81/1131306581.db2.gz VZPRUSPHUFTTEP-QFBILLFUSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000735071012 1131306586 /nfs/dbraw/zinc/30/65/86/1131306586.db2.gz VZPRUSPHUFTTEP-QFBILLFUSA-N 1 2 348.874 3.856 20 0 EHADLO Cc1cc(NC[C@@H](O)c2cccc(OC(C)C)c2)nc(C2CC2)[nH+]1 ZINC000735075541 1131307970 /nfs/dbraw/zinc/30/79/70/1131307970.db2.gz AWIIUPSYUNVDKV-QGZVFWFLSA-N 1 2 327.428 3.595 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000181520627 1124909755 /nfs/dbraw/zinc/90/97/55/1124909755.db2.gz SQRUUYAWMYFXMO-IBGZPJMESA-N 1 2 349.430 3.545 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000181520627 1124909764 /nfs/dbraw/zinc/90/97/64/1124909764.db2.gz SQRUUYAWMYFXMO-IBGZPJMESA-N 1 2 349.430 3.545 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161425 1124962002 /nfs/dbraw/zinc/96/20/02/1124962002.db2.gz FQRCXKDTRVSTTB-SJORKVTESA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161425 1124962008 /nfs/dbraw/zinc/96/20/08/1124962008.db2.gz FQRCXKDTRVSTTB-SJORKVTESA-N 1 2 338.854 3.921 20 0 EHADLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000181671485 1125009696 /nfs/dbraw/zinc/00/96/96/1125009696.db2.gz NJUGLUMDSGSNQJ-CYBMUJFWSA-N 1 2 333.347 3.932 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000069797065 1125051871 /nfs/dbraw/zinc/05/18/71/1125051871.db2.gz NAPYCSXQIXOCRQ-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000069797065 1125051880 /nfs/dbraw/zinc/05/18/80/1125051880.db2.gz NAPYCSXQIXOCRQ-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@@](C)(CO)C1 ZINC001236846486 1125057963 /nfs/dbraw/zinc/05/79/63/1125057963.db2.gz BVWXQONYARFRTE-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@@](C)(CO)C1 ZINC001236846486 1125057971 /nfs/dbraw/zinc/05/79/71/1125057971.db2.gz BVWXQONYARFRTE-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO Fc1ccc(F)c(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1 ZINC000093393666 1125240972 /nfs/dbraw/zinc/24/09/72/1125240972.db2.gz PNZNZRIQUQEKAP-UHFFFAOYSA-N 1 2 335.423 3.621 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619073291 1125272297 /nfs/dbraw/zinc/27/22/97/1125272297.db2.gz QKXBFMIRXYDPDH-HXUWFJFHSA-N 1 2 336.435 3.774 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619073291 1125272302 /nfs/dbraw/zinc/27/23/02/1125272302.db2.gz QKXBFMIRXYDPDH-HXUWFJFHSA-N 1 2 336.435 3.774 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ncccc2F)o1 ZINC000152792557 1125381206 /nfs/dbraw/zinc/38/12/06/1125381206.db2.gz UIVVZLPMOGQHDM-UHFFFAOYSA-N 1 2 340.354 3.557 20 0 EHADLO Cc1ncsc1C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000152874004 1125391038 /nfs/dbraw/zinc/39/10/38/1125391038.db2.gz SZJMENHLVSOONH-AWEZNQCLSA-N 1 2 335.904 3.984 20 0 EHADLO CCc1oc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1C(=O)OC ZINC000619843841 1125415521 /nfs/dbraw/zinc/41/55/21/1125415521.db2.gz RYMMTMWOYBANPO-ZDUSSCGKSA-N 1 2 329.396 3.584 20 0 EHADLO CCc1oc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1C(=O)OC ZINC000619843841 1125415526 /nfs/dbraw/zinc/41/55/26/1125415526.db2.gz RYMMTMWOYBANPO-ZDUSSCGKSA-N 1 2 329.396 3.584 20 0 EHADLO CCc1oc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1C(=O)OC ZINC000619844986 1125416282 /nfs/dbraw/zinc/41/62/82/1125416282.db2.gz NRVCUCWCCBEPMH-AWEZNQCLSA-N 1 2 335.787 3.505 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000085987782 1129182563 /nfs/dbraw/zinc/18/25/63/1129182563.db2.gz PVAQPDUFCZMHQV-UHFFFAOYSA-N 1 2 345.402 3.780 20 0 EHADLO CCn1ccc(CN(C)C(=O)C[N@H+](CC)Cc2ccccc2Cl)c1 ZINC000673130178 1129197856 /nfs/dbraw/zinc/19/78/56/1129197856.db2.gz AJSQZVLZFNHVAY-UHFFFAOYSA-N 1 2 347.890 3.642 20 0 EHADLO CCn1ccc(CN(C)C(=O)C[N@@H+](CC)Cc2ccccc2Cl)c1 ZINC000673130178 1129197858 /nfs/dbraw/zinc/19/78/58/1129197858.db2.gz AJSQZVLZFNHVAY-UHFFFAOYSA-N 1 2 347.890 3.642 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466129906 1129232658 /nfs/dbraw/zinc/23/26/58/1129232658.db2.gz OCBPDYDATBEZEB-GVDBMIGSSA-N 1 2 347.528 3.544 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)cc1 ZINC000543132297 1129267470 /nfs/dbraw/zinc/26/74/70/1129267470.db2.gz VTAVIZKTQDNZPA-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)cc1 ZINC000543132297 1129267474 /nfs/dbraw/zinc/26/74/74/1129267474.db2.gz VTAVIZKTQDNZPA-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO Cc1nc(C[NH2+][C@H]2COCc3ccccc32)sc1Br ZINC000922191330 1129323742 /nfs/dbraw/zinc/32/37/42/1129323742.db2.gz STAIUIPQGJLMNL-LBPRGKRZSA-N 1 2 339.258 3.575 20 0 EHADLO CC(C)c1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ncn1 ZINC000543208472 1129342855 /nfs/dbraw/zinc/34/28/55/1129342855.db2.gz DVLJVGPNRVGBGL-UHFFFAOYSA-N 1 2 347.466 3.602 20 0 EHADLO Cc1ccc2c(CC(=O)NCCCCNc3cccc[nH+]3)coc2c1 ZINC000068422029 1129369345 /nfs/dbraw/zinc/36/93/45/1129369345.db2.gz GMLNAWPILOBBMY-UHFFFAOYSA-N 1 2 337.423 3.687 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000069281543 1129437650 /nfs/dbraw/zinc/43/76/50/1129437650.db2.gz GIPNNGMMUKQAAJ-WMZOPIPTSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348615 1129451306 /nfs/dbraw/zinc/45/13/06/1129451306.db2.gz CINVXGFXVNRAJN-WDEREUQCSA-N 1 2 347.406 3.525 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348615 1129451309 /nfs/dbraw/zinc/45/13/09/1129451309.db2.gz CINVXGFXVNRAJN-WDEREUQCSA-N 1 2 347.406 3.525 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3nc4c(s3)CCC4)on2)cc1 ZINC000657634460 1129453204 /nfs/dbraw/zinc/45/32/04/1129453204.db2.gz JMXCIPZNFORXEQ-UHFFFAOYSA-N 1 2 341.436 3.585 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccccc1 ZINC000499752398 1129456506 /nfs/dbraw/zinc/45/65/06/1129456506.db2.gz OEQLGZJKOHIEAP-JXFKEZNVSA-N 1 2 340.467 3.956 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccn(C(F)F)n1)CCC2 ZINC000347707892 1129461802 /nfs/dbraw/zinc/46/18/02/1129461802.db2.gz RPLKXHREXNAKEU-GFCCVEGCSA-N 1 2 326.416 3.807 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccn(C(F)F)n1)CCC2 ZINC000347707892 1129461805 /nfs/dbraw/zinc/46/18/05/1129461805.db2.gz RPLKXHREXNAKEU-GFCCVEGCSA-N 1 2 326.416 3.807 20 0 EHADLO FC(F)(F)c1ccc(C[NH2+]Cc2nc(Br)c[nH]2)s1 ZINC000922323252 1129466054 /nfs/dbraw/zinc/46/60/54/1129466054.db2.gz CEIVQIGBAOHLLN-UHFFFAOYSA-N 1 2 340.168 3.542 20 0 EHADLO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000466466303 1129473913 /nfs/dbraw/zinc/47/39/13/1129473913.db2.gz QDPXAKXBEZALIZ-CYBMUJFWSA-N 1 2 339.277 3.900 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000466466303 1129473915 /nfs/dbraw/zinc/47/39/15/1129473915.db2.gz QDPXAKXBEZALIZ-CYBMUJFWSA-N 1 2 339.277 3.900 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000922335837 1129474622 /nfs/dbraw/zinc/47/46/22/1129474622.db2.gz PFAQWXZYWGWLQR-MOPGFXCFSA-N 1 2 326.415 3.504 20 0 EHADLO C[C@H]1C[NH+](Cc2ncc(Br)cc2Br)C[C@@H]1C ZINC000543446224 1129490692 /nfs/dbraw/zinc/49/06/92/1129490692.db2.gz ASVVCHWWIPSFQF-IUCAKERBSA-N 1 2 348.082 3.694 20 0 EHADLO Cc1ccsc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000347716049 1129495773 /nfs/dbraw/zinc/49/57/73/1129495773.db2.gz WULXVTCQAOHDMN-UHFFFAOYSA-N 1 2 327.409 3.584 20 0 EHADLO Clc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc2c1OCCCO2 ZINC000922580462 1129580530 /nfs/dbraw/zinc/58/05/30/1129580530.db2.gz DBNNOWHCKOJMCE-MRXNPFEDSA-N 1 2 345.830 3.532 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000508967306 1129597568 /nfs/dbraw/zinc/59/75/68/1129597568.db2.gz QSGCGDUZEOEGRL-GRFAERAESA-N 1 2 327.424 3.903 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000508967306 1129597572 /nfs/dbraw/zinc/59/75/72/1129597572.db2.gz QSGCGDUZEOEGRL-GRFAERAESA-N 1 2 327.424 3.903 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1F ZINC000508967366 1129597887 /nfs/dbraw/zinc/59/78/87/1129597887.db2.gz RJBYYHXAFCFYON-INIZCTEOSA-N 1 2 347.405 3.894 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1F ZINC000508967366 1129597889 /nfs/dbraw/zinc/59/78/89/1129597889.db2.gz RJBYYHXAFCFYON-INIZCTEOSA-N 1 2 347.405 3.894 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]n1)CC1(CCC1)O2 ZINC000922645325 1129611229 /nfs/dbraw/zinc/61/12/29/1129611229.db2.gz PUUCIMRAAXILKB-AWEZNQCLSA-N 1 2 348.244 3.708 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CC1(CCC1)O2 ZINC000922645730 1129611251 /nfs/dbraw/zinc/61/12/51/1129611251.db2.gz OQEDDIWBCOMABO-CQSZACIVSA-N 1 2 349.228 3.973 20 0 EHADLO CCC[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC000922659241 1129618133 /nfs/dbraw/zinc/61/81/33/1129618133.db2.gz MWSVIDMMAXMGHY-UYAOXDASSA-N 1 2 348.450 3.720 20 0 EHADLO Cc1cnc([C@@H](C)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)cn1 ZINC000428973273 1129653194 /nfs/dbraw/zinc/65/31/94/1129653194.db2.gz CPEJIYOWWSPAOP-MRXNPFEDSA-N 1 2 344.890 3.626 20 0 EHADLO Nc1ccc(COC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c[nH+]1 ZINC000922775705 1129657312 /nfs/dbraw/zinc/65/73/12/1129657312.db2.gz LBSXBAIJSFGGJG-GXTWGEPZSA-N 1 2 334.778 3.693 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000125262212 1129675179 /nfs/dbraw/zinc/67/51/79/1129675179.db2.gz HWNZBVRZUMMSEF-UHFFFAOYSA-N 1 2 330.388 3.565 20 0 EHADLO Oc1ccc(F)c(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1F ZINC000509037527 1129682371 /nfs/dbraw/zinc/68/23/71/1129682371.db2.gz LCBYMCOJRQIHNO-OAHLLOKOSA-N 1 2 333.378 3.504 20 0 EHADLO Oc1ccc(F)c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1F ZINC000509037527 1129682374 /nfs/dbraw/zinc/68/23/74/1129682374.db2.gz LCBYMCOJRQIHNO-OAHLLOKOSA-N 1 2 333.378 3.504 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000338885728 1129696207 /nfs/dbraw/zinc/69/62/07/1129696207.db2.gz BDYPWUJPKUUATI-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000338885728 1129696208 /nfs/dbraw/zinc/69/62/08/1129696208.db2.gz BDYPWUJPKUUATI-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2cn3cccc(C)c3n2)cc1OC ZINC000631077311 1129714745 /nfs/dbraw/zinc/71/47/45/1129714745.db2.gz YZXWQBAETLRYGU-UHFFFAOYSA-N 1 2 345.830 3.603 20 0 EHADLO COc1cccc(-c2ccc(C[NH2+]Cc3ncnn3C(C)C)cc2)c1 ZINC000631079213 1129726669 /nfs/dbraw/zinc/72/66/69/1129726669.db2.gz OINWYKYJESAQQP-UHFFFAOYSA-N 1 2 336.439 3.824 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccncc1Br ZINC000625088896 1129729639 /nfs/dbraw/zinc/72/96/39/1129729639.db2.gz MGBJPMVPBLZCTI-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccncc1Br ZINC000625088896 1129729643 /nfs/dbraw/zinc/72/96/43/1129729643.db2.gz MGBJPMVPBLZCTI-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000429073580 1129744101 /nfs/dbraw/zinc/74/41/01/1129744101.db2.gz GSMSYPQWIASXMT-MAUKXSAKSA-N 1 2 345.487 3.780 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000429077933 1129744891 /nfs/dbraw/zinc/74/48/91/1129744891.db2.gz MFOYKAAUSHVQMM-GJZGRUSLSA-N 1 2 332.473 3.829 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625239594 1129778240 /nfs/dbraw/zinc/77/82/40/1129778240.db2.gz GCCLHFPPNNUJDD-OAHLLOKOSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cccc(C(F)F)c3)[nH+]c12 ZINC000673724703 1129811420 /nfs/dbraw/zinc/81/14/20/1129811420.db2.gz OUOKULOXFSUGEF-UHFFFAOYSA-N 1 2 329.350 3.553 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4cc(C)c(C)cc4o3)[nH+]c12 ZINC000673724879 1129812365 /nfs/dbraw/zinc/81/23/65/1129812365.db2.gz IWUXFFSKRRQHDB-UHFFFAOYSA-N 1 2 347.418 3.978 20 0 EHADLO CSc1ccc(C)c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673747023 1129826223 /nfs/dbraw/zinc/82/62/23/1129826223.db2.gz NQZPQTNSMXRHEQ-UHFFFAOYSA-N 1 2 339.464 3.646 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000625323088 1129830593 /nfs/dbraw/zinc/83/05/93/1129830593.db2.gz ZAABYVQNSBMOGI-HNNXBMFYSA-N 1 2 345.748 3.888 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429127598 1129837392 /nfs/dbraw/zinc/83/73/92/1129837392.db2.gz MHJKQSVTGSGFBR-LSDHHAIUSA-N 1 2 342.414 3.744 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429127598 1129837398 /nfs/dbraw/zinc/83/73/98/1129837398.db2.gz MHJKQSVTGSGFBR-LSDHHAIUSA-N 1 2 342.414 3.744 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H](C(C)C)CC3)[nH+]c12 ZINC000673776143 1129845349 /nfs/dbraw/zinc/84/53/49/1129845349.db2.gz KLIYRCPJDSAHLC-QGZVFWFLSA-N 1 2 342.487 3.653 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4[nH]ccc43)c[nH+]2)C[C@@H](C)O1 ZINC000347821157 1129880866 /nfs/dbraw/zinc/88/08/66/1129880866.db2.gz UJWWDUKAUINXBS-HUUCEWRRSA-N 1 2 336.439 3.789 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@H]2CCCC(C)(C)C2)C1 ZINC000455564727 1129897364 /nfs/dbraw/zinc/89/73/64/1129897364.db2.gz ITCMFLOJMGEFOK-JKSUJKDBSA-N 1 2 332.492 3.526 20 0 EHADLO C[NH+]1CCN(C(=O)c2cc(Cl)ccc2SC2CCCC2)CC1 ZINC000347832854 1129902154 /nfs/dbraw/zinc/90/21/54/1129902154.db2.gz TYNSMHUWXPYFDF-UHFFFAOYSA-N 1 2 338.904 3.762 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1OC(F)F ZINC000282471210 1129913681 /nfs/dbraw/zinc/91/36/81/1129913681.db2.gz GMZGHDJPPXOFNG-CYBMUJFWSA-N 1 2 338.402 3.875 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008712 1129955553 /nfs/dbraw/zinc/95/55/53/1129955553.db2.gz BITKBLPSTMLXTQ-CLCXKQKWSA-N 1 2 338.426 3.939 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008712 1129955557 /nfs/dbraw/zinc/95/55/57/1129955557.db2.gz BITKBLPSTMLXTQ-CLCXKQKWSA-N 1 2 338.426 3.939 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008455 1129956401 /nfs/dbraw/zinc/95/64/01/1129956401.db2.gz BDLAFCRAFITWLD-JXFKEZNVSA-N 1 2 340.442 3.628 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008455 1129956405 /nfs/dbraw/zinc/95/64/05/1129956405.db2.gz BDLAFCRAFITWLD-JXFKEZNVSA-N 1 2 340.442 3.628 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010320 1129957986 /nfs/dbraw/zinc/95/79/86/1129957986.db2.gz PUVOTNANOKUKSP-ACJLOTCBSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010320 1129957988 /nfs/dbraw/zinc/95/79/88/1129957988.db2.gz PUVOTNANOKUKSP-ACJLOTCBSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625651083 1129968909 /nfs/dbraw/zinc/96/89/09/1129968909.db2.gz ZAVIVAYZCMDPIY-IJLUTSLNSA-N 1 2 330.806 3.890 20 0 EHADLO CCCC[N@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1ccc(C)o1 ZINC000674052108 1129986393 /nfs/dbraw/zinc/98/63/93/1129986393.db2.gz KHEBBCCLLNAECG-CQSZACIVSA-N 1 2 349.500 3.696 20 0 EHADLO CCCC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1ccc(C)o1 ZINC000674052108 1129986396 /nfs/dbraw/zinc/98/63/96/1129986396.db2.gz KHEBBCCLLNAECG-CQSZACIVSA-N 1 2 349.500 3.696 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc4cnccc4o3)n2)c1 ZINC000657995238 1129994308 /nfs/dbraw/zinc/99/43/08/1129994308.db2.gz LHMONPXXEXIGNX-QWHCGFSZSA-N 1 2 348.410 3.728 20 0 EHADLO CC(C)[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000674090214 1130001163 /nfs/dbraw/zinc/00/11/63/1130001163.db2.gz WKEDHEOFAVVKMI-SFHVURJKSA-N 1 2 344.842 3.764 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674239822 1130035741 /nfs/dbraw/zinc/03/57/41/1130035741.db2.gz BTQZBDQLBHTJEO-DOTOQJQBSA-N 1 2 327.428 3.538 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1O ZINC000674266949 1130050320 /nfs/dbraw/zinc/05/03/20/1130050320.db2.gz TWFGTJLBUVLPBR-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1O ZINC000674266949 1130050325 /nfs/dbraw/zinc/05/03/25/1130050325.db2.gz TWFGTJLBUVLPBR-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000674300397 1130060108 /nfs/dbraw/zinc/06/01/08/1130060108.db2.gz UDSCFIGWRVABNA-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362728 1130075424 /nfs/dbraw/zinc/07/54/24/1130075424.db2.gz OBOHCGRTPODRLH-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362728 1130075430 /nfs/dbraw/zinc/07/54/30/1130075430.db2.gz OBOHCGRTPODRLH-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000171754310 1130085293 /nfs/dbraw/zinc/08/52/93/1130085293.db2.gz FPOPYAWERKDNJI-UHFFFAOYSA-N 1 2 341.436 3.509 20 0 EHADLO O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172039545 1130101758 /nfs/dbraw/zinc/10/17/58/1130101758.db2.gz XILBNURMSBSMKV-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000172724706 1130157314 /nfs/dbraw/zinc/15/73/14/1130157314.db2.gz OIMFBJCXQNYQBL-JKSUJKDBSA-N 1 2 338.407 3.520 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCn1c2ccccc2c2ccccc21 ZINC000674717613 1130183445 /nfs/dbraw/zinc/18/34/45/1130183445.db2.gz IKQAZOUTWOUVBB-UHFFFAOYSA-N 1 2 332.407 3.533 20 0 EHADLO CCCCn1nnnc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000674766653 1130192274 /nfs/dbraw/zinc/19/22/74/1130192274.db2.gz HMTQGJVCAFUNOQ-UHFFFAOYSA-N 1 2 349.482 3.718 20 0 EHADLO CCCCn1nnnc1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000674766653 1130192278 /nfs/dbraw/zinc/19/22/78/1130192278.db2.gz HMTQGJVCAFUNOQ-UHFFFAOYSA-N 1 2 349.482 3.718 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674792225 1130195114 /nfs/dbraw/zinc/19/51/14/1130195114.db2.gz PIFQXJQIIDEBHP-ZBFHGGJFSA-N 1 2 347.459 3.614 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869684 1130212832 /nfs/dbraw/zinc/21/28/32/1130212832.db2.gz ZDOMPLKVHZSQQL-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869684 1130212834 /nfs/dbraw/zinc/21/28/34/1130212834.db2.gz ZDOMPLKVHZSQQL-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675257550 1130300151 /nfs/dbraw/zinc/30/01/51/1130300151.db2.gz NCJWVUWDDOJDOC-WBMJQRKESA-N 1 2 341.386 3.800 20 0 EHADLO CCC[N@H+](CCCCS(C)(=O)=O)Cc1c(F)cccc1Cl ZINC000675288553 1130300948 /nfs/dbraw/zinc/30/09/48/1130300948.db2.gz KIHGYVZEYCVQGZ-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO CCC[N@@H+](CCCCS(C)(=O)=O)Cc1c(F)cccc1Cl ZINC000675288553 1130300953 /nfs/dbraw/zinc/30/09/53/1130300953.db2.gz KIHGYVZEYCVQGZ-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212536446 1130321697 /nfs/dbraw/zinc/32/16/97/1130321697.db2.gz HEQAZSWXSVEJNO-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)o1 ZINC000625745871 1130416975 /nfs/dbraw/zinc/41/69/75/1130416975.db2.gz VMUAORUMVSUKFK-MPKXVKKWSA-N 1 2 326.318 3.568 20 0 EHADLO Cc1occc1C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000675779653 1130470908 /nfs/dbraw/zinc/47/09/08/1130470908.db2.gz NEXWBHLHBYTTRK-NSHDSACASA-N 1 2 330.819 3.981 20 0 EHADLO Fc1ccccc1-c1cnc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)o1 ZINC000675975193 1130513484 /nfs/dbraw/zinc/51/34/84/1130513484.db2.gz VDGBXENPMFEUPJ-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)n1 ZINC000727837915 1130599187 /nfs/dbraw/zinc/59/91/87/1130599187.db2.gz YLDVZCOOGKYNAF-SNVBAGLBSA-N 1 2 335.864 3.546 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(Cc2ccccc2OC)oc1=S ZINC000727825641 1130601206 /nfs/dbraw/zinc/60/12/06/1130601206.db2.gz WLBQBEDMKPSSIU-AWEZNQCLSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(Cc2ccccc2OC)oc1=S ZINC000727825641 1130601208 /nfs/dbraw/zinc/60/12/08/1130601208.db2.gz WLBQBEDMKPSSIU-AWEZNQCLSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000727824128 1130601765 /nfs/dbraw/zinc/60/17/65/1130601765.db2.gz MMNQFNYZJYJXHZ-CYBMUJFWSA-N 1 2 349.456 3.722 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000727824128 1130601767 /nfs/dbraw/zinc/60/17/67/1130601767.db2.gz MMNQFNYZJYJXHZ-CYBMUJFWSA-N 1 2 349.456 3.722 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccccc2C)C1 ZINC000728041203 1130619925 /nfs/dbraw/zinc/61/99/25/1130619925.db2.gz NCRICTFMYYDKMO-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccccc2C)C1 ZINC000728041203 1130619930 /nfs/dbraw/zinc/61/99/30/1130619930.db2.gz NCRICTFMYYDKMO-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000730122966 1130677603 /nfs/dbraw/zinc/67/76/03/1130677603.db2.gz DFVLUBWUHSDSDU-FQEVSTJZSA-N 1 2 346.434 3.667 20 0 EHADLO CC(C)(C)C[N@H+](CCCO)Cc1c(F)c(F)c(F)c(F)c1F ZINC000730378828 1130704087 /nfs/dbraw/zinc/70/40/87/1130704087.db2.gz KCZCGTPIWPMPMK-UHFFFAOYSA-N 1 2 325.321 3.613 20 0 EHADLO CC(C)(C)C[N@@H+](CCCO)Cc1c(F)c(F)c(F)c(F)c1F ZINC000730378828 1130704092 /nfs/dbraw/zinc/70/40/92/1130704092.db2.gz KCZCGTPIWPMPMK-UHFFFAOYSA-N 1 2 325.321 3.613 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+]1CCCc2sccc2C1 ZINC000730453935 1130712882 /nfs/dbraw/zinc/71/28/82/1130712882.db2.gz FPCWDRKOWTXYMP-UHFFFAOYSA-N 1 2 334.828 3.715 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+]1CCCc2sccc2C1 ZINC000730453935 1130712886 /nfs/dbraw/zinc/71/28/86/1130712886.db2.gz FPCWDRKOWTXYMP-UHFFFAOYSA-N 1 2 334.828 3.715 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000731875522 1130851812 /nfs/dbraw/zinc/85/18/12/1130851812.db2.gz HHFFGULHQZXPBO-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000731875522 1130851818 /nfs/dbraw/zinc/85/18/18/1130851818.db2.gz HHFFGULHQZXPBO-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCCC3(CCCCC3)C2)c(=S)s1 ZINC000732191085 1130892566 /nfs/dbraw/zinc/89/25/66/1130892566.db2.gz QMEWEPMKOKIZMZ-UHFFFAOYSA-N 1 2 326.535 3.744 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCCC3(CCCCC3)C2)c(=S)s1 ZINC000732191085 1130892575 /nfs/dbraw/zinc/89/25/75/1130892575.db2.gz QMEWEPMKOKIZMZ-UHFFFAOYSA-N 1 2 326.535 3.744 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(Cc3ccccc3F)CC2)o1 ZINC000732215028 1130899206 /nfs/dbraw/zinc/89/92/06/1130899206.db2.gz YMIDQYARHYEDRG-UHFFFAOYSA-N 1 2 331.435 3.961 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2coc3ccccc32)n1 ZINC000733255398 1131012189 /nfs/dbraw/zinc/01/21/89/1131012189.db2.gz UYTJWZLGKDOBKV-UHFFFAOYSA-N 1 2 329.425 3.983 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+]2Cn2nnn(C(C)(C)C)c2=S)cc1 ZINC000733298154 1131024385 /nfs/dbraw/zinc/02/43/85/1131024385.db2.gz BAOOIAUWXKTRPP-MRXNPFEDSA-N 1 2 345.516 3.537 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2nnn(C(C)(C)C)c2=S)cc1 ZINC000733298154 1131024392 /nfs/dbraw/zinc/02/43/92/1131024392.db2.gz BAOOIAUWXKTRPP-MRXNPFEDSA-N 1 2 345.516 3.537 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2cc(C)on2)ccc1OCC(F)(F)F ZINC000282687664 1131140438 /nfs/dbraw/zinc/14/04/38/1131140438.db2.gz NXSFGFCPFLMGHI-LLVKDONJSA-N 1 2 344.333 3.784 20 0 EHADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733969474 1131177662 /nfs/dbraw/zinc/17/76/62/1131177662.db2.gz HLKYRHCNRXDOIS-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000734145022 1131203752 /nfs/dbraw/zinc/20/37/52/1131203752.db2.gz ITLRKKDZEZAVFZ-LJQANCHMSA-N 1 2 347.462 3.678 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000734145022 1131203754 /nfs/dbraw/zinc/20/37/54/1131203754.db2.gz ITLRKKDZEZAVFZ-LJQANCHMSA-N 1 2 347.462 3.678 20 0 EHADLO O=c1sc2c(n1C[NH+]1CCC(c3ccccc3F)CC1)CCCC2 ZINC000736279460 1131415316 /nfs/dbraw/zinc/41/53/16/1131415316.db2.gz ICSHNPZKMGQXJH-UHFFFAOYSA-N 1 2 346.471 3.765 20 0 EHADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(C)cc2C)oc1=S ZINC000738084402 1131459983 /nfs/dbraw/zinc/45/99/83/1131459983.db2.gz ZVJOVEOXBBUNMJ-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(C)cc2C)oc1=S ZINC000738084402 1131459986 /nfs/dbraw/zinc/45/99/86/1131459986.db2.gz ZVJOVEOXBBUNMJ-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948342 1131490866 /nfs/dbraw/zinc/49/08/66/1131490866.db2.gz HGVKFFNFICITAL-UHFFFAOYSA-N 1 2 326.375 3.916 20 0 EHADLO C/C(=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000740727639 1131538570 /nfs/dbraw/zinc/53/85/70/1131538570.db2.gz VZSXOKQEJYXYCC-VGWNAKGGSA-N 1 2 341.499 3.798 20 0 EHADLO C[C@@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000740986333 1131564034 /nfs/dbraw/zinc/56/40/34/1131564034.db2.gz FUPBCAJFSVUWRK-FUHIMQAGSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000740986333 1131564038 /nfs/dbraw/zinc/56/40/38/1131564038.db2.gz FUPBCAJFSVUWRK-FUHIMQAGSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000742014764 1131679654 /nfs/dbraw/zinc/67/96/54/1131679654.db2.gz SLEYQEPWXYLHGX-WHLNPGIBSA-N 1 2 344.842 3.852 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCSc2ccccc21 ZINC000742056859 1131683791 /nfs/dbraw/zinc/68/37/91/1131683791.db2.gz ZPFHQQYXWFTKDK-DOTOQJQBSA-N 1 2 343.496 3.694 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)[nH]2)o1 ZINC000742164676 1131691763 /nfs/dbraw/zinc/69/17/63/1131691763.db2.gz BEPIKSOPHBLYKR-JMCXLMSJSA-N 1 2 330.457 3.558 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)[nH]2)o1 ZINC000742164676 1131691766 /nfs/dbraw/zinc/69/17/66/1131691766.db2.gz BEPIKSOPHBLYKR-JMCXLMSJSA-N 1 2 330.457 3.558 20 0 EHADLO CC(C)COCC[C@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172468153 1131754505 /nfs/dbraw/zinc/75/45/05/1131754505.db2.gz JMAZEJBBFHDAOK-NSHDSACASA-N 1 2 347.322 3.715 20 0 EHADLO CC(C)COCC[C@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172468153 1131754511 /nfs/dbraw/zinc/75/45/11/1131754511.db2.gz JMAZEJBBFHDAOK-NSHDSACASA-N 1 2 347.322 3.715 20 0 EHADLO Cc1cc(CC(C)C)ncc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667327 1131754663 /nfs/dbraw/zinc/75/46/63/1131754663.db2.gz MJUHDAPTVYUBRV-UHFFFAOYSA-N 1 2 325.456 3.509 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cncc(-c4ccccc4)c3)cc2)C1 ZINC001212666660 1131764503 /nfs/dbraw/zinc/76/45/03/1131764503.db2.gz ZMRLDDOEUZLUMC-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO Cc1ccc([C@H](C)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000742637760 1131764878 /nfs/dbraw/zinc/76/48/78/1131764878.db2.gz HZYOLVYNDPYQKM-JKSUJKDBSA-N 1 2 342.439 3.723 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(OC4CCCC4)c3)cc2)C1 ZINC001212669205 1131769818 /nfs/dbraw/zinc/76/98/18/1131769818.db2.gz LWUIVSJJUWSBLV-UHFFFAOYSA-N 1 2 338.451 3.928 20 0 EHADLO Oc1c(Cl)cc(Cl)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669406 1131772939 /nfs/dbraw/zinc/77/29/39/1131772939.db2.gz WIMAUZNLIAIKBO-UHFFFAOYSA-N 1 2 339.222 3.619 20 0 EHADLO COc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Cl)cc1C ZINC001212672503 1131790718 /nfs/dbraw/zinc/79/07/18/1131790718.db2.gz PIQFKHFCHHVCOR-UHFFFAOYSA-N 1 2 332.831 3.577 20 0 EHADLO COc1ccc2[nH+]ccc(Nc3cccc(C(=O)C(F)(F)F)c3)c2n1 ZINC001203341411 1131810338 /nfs/dbraw/zinc/81/03/38/1131810338.db2.gz QAPVXQCGZHQAHG-UHFFFAOYSA-N 1 2 347.296 3.549 20 0 EHADLO CCCC[C@@](CC)([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OCC ZINC001172757730 1131835759 /nfs/dbraw/zinc/83/57/59/1131835759.db2.gz BLDQHNIERMIXOC-CRAIPNDOSA-N 1 2 329.481 3.598 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854800 1131872385 /nfs/dbraw/zinc/87/23/85/1131872385.db2.gz RVUHCSCJFNDFDS-UGSOOPFHSA-N 1 2 349.833 3.784 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172859197 1131877758 /nfs/dbraw/zinc/87/77/58/1131877758.db2.gz YOORYDWRAYBFDU-GFCCVEGCSA-N 1 2 336.842 3.641 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172859197 1131877769 /nfs/dbraw/zinc/87/77/69/1131877769.db2.gz YOORYDWRAYBFDU-GFCCVEGCSA-N 1 2 336.842 3.641 20 0 EHADLO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CC(Oc2cccnc2)C1 ZINC001172880359 1131896489 /nfs/dbraw/zinc/89/64/89/1131896489.db2.gz URZBGKUHNSSOFR-CYBMUJFWSA-N 1 2 334.872 3.979 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000743365169 1131902755 /nfs/dbraw/zinc/90/27/55/1131902755.db2.gz DBTVDYSCLHPEQM-SJLPKXTDSA-N 1 2 332.513 3.691 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000743365169 1131902765 /nfs/dbraw/zinc/90/27/65/1131902765.db2.gz DBTVDYSCLHPEQM-SJLPKXTDSA-N 1 2 332.513 3.691 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371806 1131903960 /nfs/dbraw/zinc/90/39/60/1131903960.db2.gz COATXIRVGSTJEJ-AUUYWEPGSA-N 1 2 339.414 3.520 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371806 1131903967 /nfs/dbraw/zinc/90/39/67/1131903967.db2.gz COATXIRVGSTJEJ-AUUYWEPGSA-N 1 2 339.414 3.520 20 0 EHADLO Brc1cncc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212693168 1131906657 /nfs/dbraw/zinc/90/66/57/1131906657.db2.gz HEJYRLYKBTWTPU-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398369 1131911098 /nfs/dbraw/zinc/91/10/98/1131911098.db2.gz GWCGMZRGWCYFNR-QWRGUYRKSA-N 1 2 333.548 3.632 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398369 1131911103 /nfs/dbraw/zinc/91/11/03/1131911103.db2.gz GWCGMZRGWCYFNR-QWRGUYRKSA-N 1 2 333.548 3.632 20 0 EHADLO Fc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Br)n1 ZINC001212694038 1131921189 /nfs/dbraw/zinc/92/11/89/1131921189.db2.gz GQCRMVLZILVGJO-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO CCCC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173077370 1131957980 /nfs/dbraw/zinc/95/79/80/1131957980.db2.gz FJAVPOFVHSHCOD-SWLSCSKDSA-N 1 2 347.377 3.838 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cn4c(cccc4C)n3)CC2)cc1 ZINC000743866659 1131993887 /nfs/dbraw/zinc/99/38/87/1131993887.db2.gz HOBVTAJPVBGZQV-UHFFFAOYSA-N 1 2 334.467 3.527 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000744432064 1132096375 /nfs/dbraw/zinc/09/63/75/1132096375.db2.gz FQHKDKXQWDXXEP-PMACEKPBSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000744432064 1132096384 /nfs/dbraw/zinc/09/63/84/1132096384.db2.gz FQHKDKXQWDXXEP-PMACEKPBSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000744431173 1132096769 /nfs/dbraw/zinc/09/67/69/1132096769.db2.gz FQAWETVGLASMPU-INIZCTEOSA-N 1 2 330.447 3.767 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000744431173 1132096778 /nfs/dbraw/zinc/09/67/78/1132096778.db2.gz FQAWETVGLASMPU-INIZCTEOSA-N 1 2 330.447 3.767 20 0 EHADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(C4CC4)n3)ccc2NC1=O ZINC000744450182 1132102053 /nfs/dbraw/zinc/10/20/53/1132102053.db2.gz WDHUMPLUXNPHHL-BDJLRTHQSA-N 1 2 341.411 3.512 20 0 EHADLO CCc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001173868638 1132159268 /nfs/dbraw/zinc/15/92/68/1132159268.db2.gz OSNHHYUMCMVIRH-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000745098463 1132193937 /nfs/dbraw/zinc/19/39/37/1132193937.db2.gz CXQLQEYBGUULAY-HXUWFJFHSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000745098463 1132193941 /nfs/dbraw/zinc/19/39/41/1132193941.db2.gz CXQLQEYBGUULAY-HXUWFJFHSA-N 1 2 349.434 3.674 20 0 EHADLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c1 ZINC001174022108 1132216745 /nfs/dbraw/zinc/21/67/45/1132216745.db2.gz KSVQZJUAFVBKHP-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO c1nn(Cc2ccccc2)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001174133430 1132248859 /nfs/dbraw/zinc/24/88/59/1132248859.db2.gz OOWDCTYTLZOQJT-UHFFFAOYSA-N 1 2 348.450 3.507 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001174149276 1132254699 /nfs/dbraw/zinc/25/46/99/1132254699.db2.gz OTBCNMPWLDHTAG-UHFFFAOYSA-N 1 2 328.803 3.870 20 0 EHADLO O=C1N=NC(=O)c2c(NC3=CCC[N@H+](Cc4ccccc4)C3)cccc21 ZINC001174395480 1132331265 /nfs/dbraw/zinc/33/12/65/1132331265.db2.gz XULQNCUUIZHBHU-UHFFFAOYSA-N 1 2 346.390 3.635 20 0 EHADLO O=C1N=NC(=O)c2c(NC3=CCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC001174395480 1132331274 /nfs/dbraw/zinc/33/12/74/1132331274.db2.gz XULQNCUUIZHBHU-UHFFFAOYSA-N 1 2 346.390 3.635 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426876 1132335043 /nfs/dbraw/zinc/33/50/43/1132335043.db2.gz WYZIRUZYMMQJSN-LSDHHAIUSA-N 1 2 332.488 3.810 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426876 1132335051 /nfs/dbraw/zinc/33/50/51/1132335051.db2.gz WYZIRUZYMMQJSN-LSDHHAIUSA-N 1 2 332.488 3.810 20 0 EHADLO COC(=O)c1cc(N)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)s1 ZINC001174381188 1132343608 /nfs/dbraw/zinc/34/36/08/1132343608.db2.gz ARBQRHTUQCLPHK-UHFFFAOYSA-N 1 2 330.413 3.791 20 0 EHADLO COC(=O)c1ccc(OC)nc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382463 1132344768 /nfs/dbraw/zinc/34/47/68/1132344768.db2.gz RCKFXQURPXNACF-UHFFFAOYSA-N 1 2 340.383 3.551 20 0 EHADLO CCOC(=O)c1nc(C)oc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382497 1132344777 /nfs/dbraw/zinc/34/47/77/1132344777.db2.gz SIDBYMQLZUPXTB-UHFFFAOYSA-N 1 2 328.372 3.834 20 0 EHADLO COC(=O)c1cc(O)c(F)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174383628 1132345079 /nfs/dbraw/zinc/34/50/79/1132345079.db2.gz PXIKLMKBRAYTJU-UHFFFAOYSA-N 1 2 343.358 3.992 20 0 EHADLO c1cc2c(c(Nc3ccc(OCC[NH+]4CCOCC4)cc3)c1)CCC2 ZINC001174432440 1132352563 /nfs/dbraw/zinc/35/25/63/1132352563.db2.gz QMHRKLOCAKQUEB-UHFFFAOYSA-N 1 2 338.451 3.630 20 0 EHADLO c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc2c1CCC2 ZINC001174432400 1132353302 /nfs/dbraw/zinc/35/33/02/1132353302.db2.gz QGLGAYPVEXOICI-UHFFFAOYSA-N 1 2 338.451 3.630 20 0 EHADLO Cc1cc(F)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC001174434934 1132353472 /nfs/dbraw/zinc/35/34/72/1132353472.db2.gz UMSJJPABKZJBOI-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1F ZINC001174434794 1132353773 /nfs/dbraw/zinc/35/37/73/1132353773.db2.gz QVPREIUHZKBWBZ-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO Cc1cn2c(C[NH2+]Cc3cc(COC(C)(C)C)on3)c(C)nc2s1 ZINC000186430354 1132423075 /nfs/dbraw/zinc/42/30/75/1132423075.db2.gz ARDSVUXMYGVEBS-UHFFFAOYSA-N 1 2 348.472 3.606 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000338905820 1132438067 /nfs/dbraw/zinc/43/80/67/1132438067.db2.gz NQFORMZZADZFBH-UHFFFAOYSA-N 1 2 329.419 3.723 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000338905820 1132438074 /nfs/dbraw/zinc/43/80/74/1132438074.db2.gz NQFORMZZADZFBH-UHFFFAOYSA-N 1 2 329.419 3.723 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188742199 1132438377 /nfs/dbraw/zinc/43/83/77/1132438377.db2.gz RXXKJACIVKPEPA-UHFFFAOYSA-N 1 2 341.361 3.526 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188742199 1132438381 /nfs/dbraw/zinc/43/83/81/1132438381.db2.gz RXXKJACIVKPEPA-UHFFFAOYSA-N 1 2 341.361 3.526 20 0 EHADLO CNS(=O)(=O)c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC001174728695 1132453121 /nfs/dbraw/zinc/45/31/21/1132453121.db2.gz ULIWDVJSNGJUND-UHFFFAOYSA-N 1 2 347.827 3.540 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc2nccnc21 ZINC001174772533 1132461272 /nfs/dbraw/zinc/46/12/72/1132461272.db2.gz WAOVAFXJLHTOFM-OAHLLOKOSA-N 1 2 343.390 3.514 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997585 1132478261 /nfs/dbraw/zinc/47/82/61/1132478261.db2.gz MJEQKWHZDRLEJU-UHFFFAOYSA-N 1 2 344.455 3.635 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997585 1132478265 /nfs/dbraw/zinc/47/82/65/1132478265.db2.gz MJEQKWHZDRLEJU-UHFFFAOYSA-N 1 2 344.455 3.635 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(COC)cc1 ZINC001174919473 1132505825 /nfs/dbraw/zinc/50/58/25/1132505825.db2.gz HERWVZVGGGPFMG-UHFFFAOYSA-N 1 2 338.411 3.728 20 0 EHADLO Clc1cccc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)cnc12 ZINC001174974801 1132510469 /nfs/dbraw/zinc/51/04/69/1132510469.db2.gz MXRRAAYJTYCUML-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c2cccnc12 ZINC001174977095 1132511051 /nfs/dbraw/zinc/51/10/51/1132511051.db2.gz GMKLYOGXWBWNPL-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Fc1c(Nc2ccc(N3CCOCC3)[nH+]c2)cccc1C(F)(F)F ZINC001174977893 1132511215 /nfs/dbraw/zinc/51/12/15/1132511215.db2.gz YGLIEGVUOCEAKH-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Cc1ccc(OC(C)C)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978607 1132511377 /nfs/dbraw/zinc/51/13/77/1132511377.db2.gz XFCXYIPKJLIIQZ-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO COc1cccc(F)c1Nc1cc(Br)cn2cc[nH+]c12 ZINC001174992050 1132523361 /nfs/dbraw/zinc/52/33/61/1132523361.db2.gz NSAYVVDXKMSZNP-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCOc1ccccc1F ZINC000766388511 1132532618 /nfs/dbraw/zinc/53/26/18/1132532618.db2.gz QISFKXBJSKIOCI-UHFFFAOYSA-N 1 2 343.406 3.601 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)C2=O)cc1 ZINC001174984469 1132535098 /nfs/dbraw/zinc/53/50/98/1132535098.db2.gz PMAVJDLGGKGXBD-UXHICEINSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+]3CC(C)(C)[C@@H]3c3cccnc3)C2=O)cc1 ZINC001174984469 1132535103 /nfs/dbraw/zinc/53/51/03/1132535103.db2.gz PMAVJDLGGKGXBD-UXHICEINSA-N 1 2 349.478 3.969 20 0 EHADLO CN1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc21 ZINC001175062369 1132539060 /nfs/dbraw/zinc/53/90/60/1132539060.db2.gz NPQTTZDPMOMYTL-UHFFFAOYSA-N 1 2 338.842 3.982 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NCCC(=O)Nc3nccs3)c2)cc1 ZINC001168911488 1132603297 /nfs/dbraw/zinc/60/32/97/1132603297.db2.gz GEMXMHZOWGDZOQ-UHFFFAOYSA-N 1 2 338.436 3.954 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932170 1132607000 /nfs/dbraw/zinc/60/70/00/1132607000.db2.gz JZFBRBLQAXTCCO-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932170 1132607007 /nfs/dbraw/zinc/60/70/07/1132607007.db2.gz JZFBRBLQAXTCCO-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO CSc1cccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001175289820 1132614675 /nfs/dbraw/zinc/61/46/75/1132614675.db2.gz YZRBGXNLRVJKBO-BETUJISGSA-N 1 2 344.484 3.864 20 0 EHADLO CN(C)c1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)c[nH+]1 ZINC001175343222 1132628145 /nfs/dbraw/zinc/62/81/45/1132628145.db2.gz AVLCINJUBVITES-AWEZNQCLSA-N 1 2 331.391 3.588 20 0 EHADLO Cc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Br ZINC001175345745 1132629248 /nfs/dbraw/zinc/62/92/48/1132629248.db2.gz DZTZVZIJENHOBN-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO FC(F)(F)c1c[nH]c2[nH+]ccc(NCCc3cn4ccccc4n3)c12 ZINC001169003797 1132629933 /nfs/dbraw/zinc/62/99/33/1132629933.db2.gz GYEZJIGLYDWVSU-UHFFFAOYSA-N 1 2 345.328 3.884 20 0 EHADLO COC(=O)c1ccc2ccc(NCCc3cn4ccccc4[nH+]3)cc2c1 ZINC001169010362 1132631433 /nfs/dbraw/zinc/63/14/33/1132631433.db2.gz BYHATOLAYDLCPZ-UHFFFAOYSA-N 1 2 345.402 3.929 20 0 EHADLO CC1(C)CC(=O)Nc2cccc(NCCc3cn4ccccc4[nH+]3)c21 ZINC001169009183 1132631831 /nfs/dbraw/zinc/63/18/31/1132631831.db2.gz OJQVFGMTNFONSL-UHFFFAOYSA-N 1 2 334.423 3.609 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C)c1 ZINC001175350386 1132645340 /nfs/dbraw/zinc/64/53/40/1132645340.db2.gz IDFHGJFICZEUHH-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO CCCc1cc(NCc2cc(F)cc3c2OCOC3)nc(CCC)[nH+]1 ZINC001169096809 1132653079 /nfs/dbraw/zinc/65/30/79/1132653079.db2.gz OQTDJFNIRZWXKC-UHFFFAOYSA-N 1 2 345.418 3.999 20 0 EHADLO CCS(=O)(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001175445902 1132660151 /nfs/dbraw/zinc/66/01/51/1132660151.db2.gz AWCJSRRYIOOIHF-UHFFFAOYSA-N 1 2 345.468 3.609 20 0 EHADLO Cc1ccc(NCCCc2ccc(C)nc2)c(C[NH+]2CCOCC2)c1 ZINC001169259323 1132712257 /nfs/dbraw/zinc/71/22/57/1132712257.db2.gz IQOWBZGQSSIJOH-UHFFFAOYSA-N 1 2 339.483 3.575 20 0 EHADLO CCOC(=O)Cc1cc(Cl)c(NC2=CCC[N@H+](C)C2)c(Cl)c1 ZINC001175577493 1132713593 /nfs/dbraw/zinc/71/35/93/1132713593.db2.gz AACWJHCGVUZNGX-UHFFFAOYSA-N 1 2 343.254 3.730 20 0 EHADLO CCOC(=O)Cc1cc(Cl)c(NC2=CCC[N@@H+](C)C2)c(Cl)c1 ZINC001175577493 1132713598 /nfs/dbraw/zinc/71/35/98/1132713598.db2.gz AACWJHCGVUZNGX-UHFFFAOYSA-N 1 2 343.254 3.730 20 0 EHADLO Cn1cc2ccc(Nc3cc(Br)c4[nH+]ccn4c3)cc2n1 ZINC001175609198 1132724786 /nfs/dbraw/zinc/72/47/86/1132724786.db2.gz HZSMMJAXUKXRLI-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CC[N@H+](Cc1nccc(Cl)c1Cl)[C@@H](CO)c1ccccc1 ZINC001175661937 1132732402 /nfs/dbraw/zinc/73/24/02/1132732402.db2.gz UNWBGCFCNCPOIO-HNNXBMFYSA-N 1 2 325.239 3.944 20 0 EHADLO CC[N@@H+](Cc1nccc(Cl)c1Cl)[C@@H](CO)c1ccccc1 ZINC001175661937 1132732408 /nfs/dbraw/zinc/73/24/08/1132732408.db2.gz UNWBGCFCNCPOIO-HNNXBMFYSA-N 1 2 325.239 3.944 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712468 1132739992 /nfs/dbraw/zinc/73/99/92/1132739992.db2.gz BGKPISKDFFICJR-UHFFFAOYSA-N 1 2 338.333 3.564 20 0 EHADLO CC[N@H+](C)c1ccc(Nc2ccc(OC3CCOCC3)nc2)cc1 ZINC001175735150 1132748145 /nfs/dbraw/zinc/74/81/45/1132748145.db2.gz SMKLGUXXFYFBKG-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO CC[N@@H+](C)c1ccc(Nc2ccc(OC3CCOCC3)nc2)cc1 ZINC001175735150 1132748150 /nfs/dbraw/zinc/74/81/50/1132748150.db2.gz SMKLGUXXFYFBKG-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO Cc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c2ccccc12 ZINC001169414463 1132748205 /nfs/dbraw/zinc/74/82/05/1132748205.db2.gz XBQXHEDATMGHHU-UHFFFAOYSA-N 1 2 333.435 3.992 20 0 EHADLO CCNc1ccnc(Cl)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707159 1132754960 /nfs/dbraw/zinc/75/49/60/1132754960.db2.gz XMPOBXGJUTZGDR-UHFFFAOYSA-N 1 2 331.729 3.906 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3ccsc3[C@H]2C)s1 ZINC001175830253 1132771228 /nfs/dbraw/zinc/77/12/28/1132771228.db2.gz JCVFKIUUEJLZAX-GFCCVEGCSA-N 1 2 334.510 3.608 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3ccsc3[C@H]2C)s1 ZINC001175830253 1132771237 /nfs/dbraw/zinc/77/12/37/1132771237.db2.gz JCVFKIUUEJLZAX-GFCCVEGCSA-N 1 2 334.510 3.608 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@@H](C)c3cnccn3)ccc21 ZINC001169533546 1132779714 /nfs/dbraw/zinc/77/97/14/1132779714.db2.gz NDHZATXQEHINTA-AWEZNQCLSA-N 1 2 345.406 3.997 20 0 EHADLO c1nn(C2CCCCC2)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175884088 1132781254 /nfs/dbraw/zinc/78/12/54/1132781254.db2.gz JCDUQQGNVRFCNV-UHFFFAOYSA-N 1 2 340.471 3.964 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744022 1132836821 /nfs/dbraw/zinc/83/68/21/1132836821.db2.gz GTZBEXGDXBGVOT-TZIWHRDSSA-N 1 2 338.426 3.753 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744022 1132836827 /nfs/dbraw/zinc/83/68/27/1132836827.db2.gz GTZBEXGDXBGVOT-TZIWHRDSSA-N 1 2 338.426 3.753 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001176068995 1132841384 /nfs/dbraw/zinc/84/13/84/1132841384.db2.gz MHAWYGDQKSHFLR-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001176118247 1132851670 /nfs/dbraw/zinc/85/16/70/1132851670.db2.gz DRVXXJNBMGUENI-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC001169790657 1132859090 /nfs/dbraw/zinc/85/90/90/1132859090.db2.gz CRBKIZKIBAUBSX-NSHDSACASA-N 1 2 333.350 3.920 20 0 EHADLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC001169790657 1132859100 /nfs/dbraw/zinc/85/91/00/1132859100.db2.gz CRBKIZKIBAUBSX-NSHDSACASA-N 1 2 333.350 3.920 20 0 EHADLO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC001169790656 1132859877 /nfs/dbraw/zinc/85/98/77/1132859877.db2.gz CRBKIZKIBAUBSX-LLVKDONJSA-N 1 2 333.350 3.920 20 0 EHADLO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC001169790656 1132859887 /nfs/dbraw/zinc/85/98/87/1132859887.db2.gz CRBKIZKIBAUBSX-LLVKDONJSA-N 1 2 333.350 3.920 20 0 EHADLO COCOc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001176190495 1132861268 /nfs/dbraw/zinc/86/12/68/1132861268.db2.gz GCEVWGKNSLIVSY-UHFFFAOYSA-N 1 2 327.359 3.797 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001169890640 1132882685 /nfs/dbraw/zinc/88/26/85/1132882685.db2.gz PVPCXXNGSUKNLA-HNHYXYPQSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001169890640 1132882691 /nfs/dbraw/zinc/88/26/91/1132882691.db2.gz PVPCXXNGSUKNLA-HNHYXYPQSA-N 1 2 330.255 3.526 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2cccc3[nH+]ccn32)c1 ZINC001176295209 1132893691 /nfs/dbraw/zinc/89/36/91/1132893691.db2.gz IHUVDOXJCHTWIP-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO OCc1cc(Nc2cc[nH+]c3ccc(Br)cc23)cs1 ZINC001176365948 1132923443 /nfs/dbraw/zinc/92/34/43/1132923443.db2.gz HXXTWXXSTIAJDH-UHFFFAOYSA-N 1 2 335.226 3.717 20 0 EHADLO O=C(c1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1)N1CCCCC1 ZINC001176681343 1132982359 /nfs/dbraw/zinc/98/23/59/1132982359.db2.gz GBHLGPNWZWZSNB-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO Cc1cc(Br)ncc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750454 1132992786 /nfs/dbraw/zinc/99/27/86/1132992786.db2.gz TXJWMHNRPFRWSZ-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Oc1ccc(Br)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176751226 1132993339 /nfs/dbraw/zinc/99/33/39/1132993339.db2.gz ZRHNWOBYVWIJQR-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CC1(C)C[NH+](Cn2c(-c3ccccn3)csc2=O)CC(C)(C)C1 ZINC000767514569 1133011308 /nfs/dbraw/zinc/01/13/08/1133011308.db2.gz KHUHRIYZJWDJAV-UHFFFAOYSA-N 1 2 331.485 3.687 20 0 EHADLO O=C(Nc1ccc(-n2cccc2)cc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958271 1133016182 /nfs/dbraw/zinc/01/61/82/1133016182.db2.gz OXEWPODLOABVJX-KRWDZBQOSA-N 1 2 346.434 3.727 20 0 EHADLO Fc1cc(Br)cc(C[N@@H+]2CCCC[C@]23CCOC3)c1 ZINC001176971969 1133017373 /nfs/dbraw/zinc/01/73/73/1133017373.db2.gz WLXUDFZQXPPSOM-OAHLLOKOSA-N 1 2 328.225 3.733 20 0 EHADLO Fc1cc(Br)cc(C[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001176971969 1133017376 /nfs/dbraw/zinc/01/73/76/1133017376.db2.gz WLXUDFZQXPPSOM-OAHLLOKOSA-N 1 2 328.225 3.733 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1ncn(-c2ccc(C)cc2C)c1=S ZINC000767774031 1133050910 /nfs/dbraw/zinc/05/09/10/1133050910.db2.gz ITZBBFRTRSZHBR-HNNXBMFYSA-N 1 2 348.541 3.805 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1ncn(-c2ccc(C)cc2C)c1=S ZINC000767774031 1133050917 /nfs/dbraw/zinc/05/09/17/1133050917.db2.gz ITZBBFRTRSZHBR-HNNXBMFYSA-N 1 2 348.541 3.805 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667716 1133065368 /nfs/dbraw/zinc/06/53/68/1133065368.db2.gz UUDZTGVKLYALMJ-WMLDXEAASA-N 1 2 347.890 3.519 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667716 1133065373 /nfs/dbraw/zinc/06/53/73/1133065373.db2.gz UUDZTGVKLYALMJ-WMLDXEAASA-N 1 2 347.890 3.519 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767876687 1133066165 /nfs/dbraw/zinc/06/61/65/1133066165.db2.gz QLESTCGDPCYCFX-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767876687 1133066170 /nfs/dbraw/zinc/06/61/70/1133066170.db2.gz QLESTCGDPCYCFX-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616682 1133087942 /nfs/dbraw/zinc/08/79/42/1133087942.db2.gz SEFWMDDKAMJSJP-SFHVURJKSA-N 1 2 325.412 3.545 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616682 1133087946 /nfs/dbraw/zinc/08/79/46/1133087946.db2.gz SEFWMDDKAMJSJP-SFHVURJKSA-N 1 2 325.412 3.545 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625128 1133088951 /nfs/dbraw/zinc/08/89/51/1133088951.db2.gz BBZDWKXRPUZZFJ-RTBURBONSA-N 1 2 342.414 3.651 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625128 1133088954 /nfs/dbraw/zinc/08/89/54/1133088954.db2.gz BBZDWKXRPUZZFJ-RTBURBONSA-N 1 2 342.414 3.651 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177628507 1133089084 /nfs/dbraw/zinc/08/90/84/1133089084.db2.gz OUXNWXXNUSQDEA-SFHVURJKSA-N 1 2 340.423 3.672 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177628507 1133089089 /nfs/dbraw/zinc/08/90/89/1133089089.db2.gz OUXNWXXNUSQDEA-SFHVURJKSA-N 1 2 340.423 3.672 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCc3cc(C)ccc32)cs1 ZINC001177647177 1133092325 /nfs/dbraw/zinc/09/23/25/1133092325.db2.gz XTLSEZBXQLWDSM-QGZVFWFLSA-N 1 2 329.469 3.601 20 0 EHADLO CC[N@@H+](Cc1cncc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161228 1133103282 /nfs/dbraw/zinc/10/32/82/1133103282.db2.gz URRZZYHLMMBXBC-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO CC[N@H+](Cc1cncc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161228 1133103287 /nfs/dbraw/zinc/10/32/87/1133103287.db2.gz URRZZYHLMMBXBC-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO OC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)c1cccc(F)c1 ZINC001177830222 1133106363 /nfs/dbraw/zinc/10/63/63/1133106363.db2.gz WHEMBHXZOOPWQA-MRXNPFEDSA-N 1 2 328.412 3.772 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000768242772 1133120350 /nfs/dbraw/zinc/12/03/50/1133120350.db2.gz CCCCJRHMGYNYEI-CYBMUJFWSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000768242772 1133120355 /nfs/dbraw/zinc/12/03/55/1133120355.db2.gz CCCCJRHMGYNYEI-CYBMUJFWSA-N 1 2 328.815 3.578 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cccc(OC(C)(C)C)n2)cc1 ZINC000768299261 1133122681 /nfs/dbraw/zinc/12/26/81/1133122681.db2.gz JEMDRJIIEVERLO-UHFFFAOYSA-N 1 2 343.427 3.509 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCc1c(Cl)ccc(Cl)c1Cl ZINC001178000630 1133122834 /nfs/dbraw/zinc/12/28/34/1133122834.db2.gz XPFCSCUFPBDMEO-UHFFFAOYSA-N 1 2 332.618 3.619 20 0 EHADLO CN(Cc1sc2ccccc2c1Cl)C(=O)CCc1[nH]cc[nH+]1 ZINC001177994826 1133126601 /nfs/dbraw/zinc/12/66/01/1133126601.db2.gz JWDQMJGMFXHBOV-UHFFFAOYSA-N 1 2 333.844 3.869 20 0 EHADLO Cc1cc(C)c(/C=C/CNc2ccc(N(C)CCO)c[nH+]2)cc1C ZINC001178060663 1133128429 /nfs/dbraw/zinc/12/84/29/1133128429.db2.gz WDYRMEGIIFRSCY-AATRIKPKSA-N 1 2 325.456 3.561 20 0 EHADLO COc1cc(F)cc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC001178208284 1133143435 /nfs/dbraw/zinc/14/34/35/1133143435.db2.gz KXWSEEMAHNYBRX-UHFFFAOYSA-N 1 2 340.192 3.592 20 0 EHADLO Cc1cc([NH2+]C[C@@H]2CCOc3ccccc32)ccc1N1CCOCC1 ZINC001178299379 1133154582 /nfs/dbraw/zinc/15/45/82/1133154582.db2.gz DASYTLSVNIFKPE-KRWDZBQOSA-N 1 2 338.451 3.810 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2c1[C@H](C)CC2(C)C)[NH+]1CCSCC1 ZINC001178500333 1133169886 /nfs/dbraw/zinc/16/98/86/1133169886.db2.gz XYKSVKMDKLYCML-KGLIPLIRSA-N 1 2 332.513 3.847 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H]1CCC1CCCCC1)C[NH+]1CCOCC1 ZINC001150805878 1133179054 /nfs/dbraw/zinc/17/90/54/1133179054.db2.gz KVSCHGPRZYXVTE-BONDDZEJSA-N 1 2 348.531 3.616 20 0 EHADLO Fc1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001204233568 1133213943 /nfs/dbraw/zinc/21/39/43/1133213943.db2.gz RPIKZWLYLKOFNB-MRXNPFEDSA-N 1 2 330.369 3.660 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)Cc2ccccc2OC2CCCC2)[nH+]1 ZINC001179092716 1133228285 /nfs/dbraw/zinc/22/82/85/1133228285.db2.gz XRYNNRQYARWCFA-UHFFFAOYSA-N 1 2 341.455 3.713 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)Cc2ccccc2OC2CCCC2)c[nH+]1 ZINC001179092716 1133228290 /nfs/dbraw/zinc/22/82/90/1133228290.db2.gz XRYNNRQYARWCFA-UHFFFAOYSA-N 1 2 341.455 3.713 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1cnn(-c2ccccc2)n1 ZINC001179479164 1133254503 /nfs/dbraw/zinc/25/45/03/1133254503.db2.gz LBVOKSGWOIZDBZ-UHFFFAOYSA-N 1 2 332.411 3.810 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000769328469 1133262267 /nfs/dbraw/zinc/26/22/67/1133262267.db2.gz INJKYKYCYCLRAK-HNNXBMFYSA-N 1 2 333.863 3.672 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000769328469 1133262270 /nfs/dbraw/zinc/26/22/70/1133262270.db2.gz INJKYKYCYCLRAK-HNNXBMFYSA-N 1 2 333.863 3.672 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1nccc2ccccc21 ZINC000769379820 1133273423 /nfs/dbraw/zinc/27/34/23/1133273423.db2.gz NWISDNDXEWMTGG-OAQYLSRUSA-N 1 2 348.446 3.841 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nccc2ccccc21 ZINC000769379820 1133273426 /nfs/dbraw/zinc/27/34/26/1133273426.db2.gz NWISDNDXEWMTGG-OAQYLSRUSA-N 1 2 348.446 3.841 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C(C)C)n1 ZINC001179838131 1133288371 /nfs/dbraw/zinc/28/83/71/1133288371.db2.gz LQNGUNXGRZLVAC-QGZVFWFLSA-N 1 2 329.444 3.969 20 0 EHADLO CCCn1cncc1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001179877753 1133298284 /nfs/dbraw/zinc/29/82/84/1133298284.db2.gz JAFWOJUXCVIFOB-INIZCTEOSA-N 1 2 346.906 3.825 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001179952019 1133304854 /nfs/dbraw/zinc/30/48/54/1133304854.db2.gz NSZYGJOFRMWCCP-UHFFFAOYSA-N 1 2 342.870 3.906 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1nc(Cl)c2ccccc21 ZINC000769647001 1133325121 /nfs/dbraw/zinc/32/51/21/1133325121.db2.gz FRKZWNUSHIFVKP-OAHLLOKOSA-N 1 2 329.835 3.526 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1nc(Cl)c2ccccc21 ZINC000769647001 1133325125 /nfs/dbraw/zinc/32/51/25/1133325125.db2.gz FRKZWNUSHIFVKP-OAHLLOKOSA-N 1 2 329.835 3.526 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000769909257 1133357891 /nfs/dbraw/zinc/35/78/91/1133357891.db2.gz QBCHVGTWCHKYLU-UHFFFAOYSA-N 1 2 327.355 3.578 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000769909257 1133357894 /nfs/dbraw/zinc/35/78/94/1133357894.db2.gz QBCHVGTWCHKYLU-UHFFFAOYSA-N 1 2 327.355 3.578 20 0 EHADLO Fc1ccc(/C=C\C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 ZINC001180375505 1133363067 /nfs/dbraw/zinc/36/30/67/1133363067.db2.gz SGDOAEYQYUAXHA-UPHRSURJSA-N 1 2 349.812 3.849 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001180379068 1133363109 /nfs/dbraw/zinc/36/31/09/1133363109.db2.gz RQEQMXZUEFYQTA-CYBMUJFWSA-N 1 2 340.414 3.714 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001180379068 1133363113 /nfs/dbraw/zinc/36/31/13/1133363113.db2.gz RQEQMXZUEFYQTA-CYBMUJFWSA-N 1 2 340.414 3.714 20 0 EHADLO COc1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC001180363962 1133367653 /nfs/dbraw/zinc/36/76/53/1133367653.db2.gz KXBLRTADJHDUSD-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)ccc1F ZINC001180363962 1133367654 /nfs/dbraw/zinc/36/76/54/1133367654.db2.gz KXBLRTADJHDUSD-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cc2n[nH]cc2Br)CC1 ZINC001180686940 1133406847 /nfs/dbraw/zinc/40/68/47/1133406847.db2.gz JMXATLSDTYGXJN-UHFFFAOYSA-N 1 2 334.261 3.860 20 0 EHADLO O=C(Cc1cccc(-c2ccccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001181100655 1133451087 /nfs/dbraw/zinc/45/10/87/1133451087.db2.gz KFLSOADSNIZQJJ-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000770760642 1133465501 /nfs/dbraw/zinc/46/55/01/1133465501.db2.gz LSZHMJYLAQYYGF-INIZCTEOSA-N 1 2 338.455 3.594 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770734158 1133466401 /nfs/dbraw/zinc/46/64/01/1133466401.db2.gz RTAWQKQIXZRUAV-CQSZACIVSA-N 1 2 326.421 3.699 20 0 EHADLO C[C@H]1CC[C@H](C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)C1 ZINC001181359601 1133480651 /nfs/dbraw/zinc/48/06/51/1133480651.db2.gz CXIBDCSLYGXAQK-HOCLYGCPSA-N 1 2 345.874 3.680 20 0 EHADLO O=C(Cn1ccc2ccc(Cl)cc21)OCc1cccc2[nH+]ccn21 ZINC000770910731 1133481092 /nfs/dbraw/zinc/48/10/92/1133481092.db2.gz OHJALRCZRVRUDJ-UHFFFAOYSA-N 1 2 339.782 3.686 20 0 EHADLO O=C(C=C1CCCC1)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181349623 1133483216 /nfs/dbraw/zinc/48/32/16/1133483216.db2.gz ZPNOAEBKTXPRPD-UHFFFAOYSA-N 1 2 343.858 3.744 20 0 EHADLO CCn1cc(CC(=O)OCc2cccc3[nH+]ccn32)c2ccccc21 ZINC000770921346 1133484866 /nfs/dbraw/zinc/48/48/66/1133484866.db2.gz BJOZSJRHOXYXSS-UHFFFAOYSA-N 1 2 333.391 3.595 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)NCCOc1cc[nH+]cc1 ZINC001181428204 1133485815 /nfs/dbraw/zinc/48/58/15/1133485815.db2.gz KFYDRLYPXPMFEX-UHFFFAOYSA-N 1 2 346.839 3.687 20 0 EHADLO O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1cccc2[nH+]ccn21 ZINC000770927760 1133486261 /nfs/dbraw/zinc/48/62/61/1133486261.db2.gz ZWPPWGWFKWEGDC-UHFFFAOYSA-N 1 2 339.782 3.755 20 0 EHADLO COc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2C)nc1 ZINC001181472375 1133491707 /nfs/dbraw/zinc/49/17/07/1133491707.db2.gz QJPVCUYORSRGOB-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)nc1 ZINC001181472375 1133491715 /nfs/dbraw/zinc/49/17/15/1133491715.db2.gz QJPVCUYORSRGOB-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO O=C(CCc1cccc(OC(F)(F)F)c1)Nc1cccc2[nH+]ccn21 ZINC001181679719 1133513194 /nfs/dbraw/zinc/51/31/94/1133513194.db2.gz YNGCTAOTVHPJIO-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181804184 1133529317 /nfs/dbraw/zinc/52/93/17/1133529317.db2.gz AJIDDXDQKHDMKK-ZBWUASRJSA-N 1 2 328.500 3.916 20 0 EHADLO Cc1ccc(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1Cl ZINC000771507881 1133568096 /nfs/dbraw/zinc/56/80/96/1133568096.db2.gz DBGIRKDUNSGKEM-UHFFFAOYSA-N 1 2 326.787 3.506 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(C2CC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000771734141 1133589775 /nfs/dbraw/zinc/58/97/75/1133589775.db2.gz TWMZGLHCTALDOX-CLCXKQKWSA-N 1 2 330.472 3.636 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1c(Cl)ccnc1Cl)C(=O)OC(C)(C)C ZINC001182239071 1133606001 /nfs/dbraw/zinc/60/60/01/1133606001.db2.gz TYCKGFNLQWZKTM-JTQLQIEISA-N 1 2 333.259 3.798 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1c(Cl)ccnc1Cl)C(=O)OC(C)(C)C ZINC001182239071 1133606007 /nfs/dbraw/zinc/60/60/07/1133606007.db2.gz TYCKGFNLQWZKTM-JTQLQIEISA-N 1 2 333.259 3.798 20 0 EHADLO C[C@H](Cc1ccco1)Nc1cc(N[C@@H](C)Cc2ccco2)nc[nH+]1 ZINC000771975524 1133623442 /nfs/dbraw/zinc/62/34/42/1133623442.db2.gz NHTPOQMVRLPLDC-OKILXGFUSA-N 1 2 326.400 3.749 20 0 EHADLO C[C@H](Cc1ccco1)Nc1cc(N[C@@H](C)Cc2ccco2)[nH+]cn1 ZINC000771975524 1133623446 /nfs/dbraw/zinc/62/34/46/1133623446.db2.gz NHTPOQMVRLPLDC-OKILXGFUSA-N 1 2 326.400 3.749 20 0 EHADLO O=C(CCCc1cc(Cl)sc1Cl)OCCn1cc[nH+]c1 ZINC000772001804 1133626123 /nfs/dbraw/zinc/62/61/23/1133626123.db2.gz ONMLXHWIMYOOTM-UHFFFAOYSA-N 1 2 333.240 3.818 20 0 EHADLO c1ccc(NCCNc2cc(NCCNc3ccccc3)[nH+]cn2)cc1 ZINC000772072676 1133640940 /nfs/dbraw/zinc/64/09/40/1133640940.db2.gz WRRBAYOLLVFIBG-UHFFFAOYSA-N 1 2 348.454 3.525 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001182360802 1133645635 /nfs/dbraw/zinc/64/56/35/1133645635.db2.gz PXFFTFDIODYHGT-KGLIPLIRSA-N 1 2 346.352 3.753 20 0 EHADLO CC(C)C1(c2ccccc2)C[NH+](Cc2c(Br)cnn2C)C1 ZINC001182423587 1133653511 /nfs/dbraw/zinc/65/35/11/1133653511.db2.gz HFOXXBJRQMSXSA-UHFFFAOYSA-N 1 2 348.288 3.592 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@@H](C)c3cccnc3)cc12 ZINC000772257232 1133667272 /nfs/dbraw/zinc/66/72/72/1133667272.db2.gz PZZGREITKSYBPX-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@@H](C)c3cccnc3)cc12 ZINC000772257232 1133667276 /nfs/dbraw/zinc/66/72/76/1133667276.db2.gz PZZGREITKSYBPX-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1O ZINC001182489198 1133694750 /nfs/dbraw/zinc/69/47/50/1133694750.db2.gz ASQHQPCMFDMMAW-CYBMUJFWSA-N 1 2 342.842 3.569 20 0 EHADLO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1O ZINC001182489198 1133694753 /nfs/dbraw/zinc/69/47/53/1133694753.db2.gz ASQHQPCMFDMMAW-CYBMUJFWSA-N 1 2 342.842 3.569 20 0 EHADLO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206526975 1133701980 /nfs/dbraw/zinc/70/19/80/1133701980.db2.gz ROUPERUFOXEHLJ-INIZCTEOSA-N 1 2 347.256 3.806 20 0 EHADLO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206526975 1133701983 /nfs/dbraw/zinc/70/19/83/1133701983.db2.gz ROUPERUFOXEHLJ-INIZCTEOSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@]1(Br)C[C@H]1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182624687 1133706777 /nfs/dbraw/zinc/70/67/77/1133706777.db2.gz BNRWDYKSJOSKIM-WMLDXEAASA-N 1 2 346.268 3.517 20 0 EHADLO Cc1cc(C(F)(F)F)c(NCc2ccccc2-n2cc[nH+]c2)nn1 ZINC000774535661 1133717621 /nfs/dbraw/zinc/71/76/21/1133717621.db2.gz DITCDUIORVOZFS-UHFFFAOYSA-N 1 2 333.317 3.602 20 0 EHADLO O=C(Cn1ccc2c1cccc2F)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182826020 1133737160 /nfs/dbraw/zinc/73/71/60/1133737160.db2.gz VGENYOWMGVQJMU-UHFFFAOYSA-N 1 2 348.381 3.664 20 0 EHADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001182828318 1133738453 /nfs/dbraw/zinc/73/84/53/1133738453.db2.gz CSMURCRBYNIPJJ-SFHVURJKSA-N 1 2 338.455 3.561 20 0 EHADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001182828318 1133738459 /nfs/dbraw/zinc/73/84/59/1133738459.db2.gz CSMURCRBYNIPJJ-SFHVURJKSA-N 1 2 338.455 3.561 20 0 EHADLO C[C@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183030931 1133759307 /nfs/dbraw/zinc/75/93/07/1133759307.db2.gz SDOBUJQFZGWCDF-INIZCTEOSA-N 1 2 348.450 3.940 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1OC ZINC001183757538 1133847943 /nfs/dbraw/zinc/84/79/43/1133847943.db2.gz MYVIKJYOCYRLPB-RBUKOAKNSA-N 1 2 338.451 3.537 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1OC ZINC001183757538 1133847951 /nfs/dbraw/zinc/84/79/51/1133847951.db2.gz MYVIKJYOCYRLPB-RBUKOAKNSA-N 1 2 338.451 3.537 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](C/C=C/c2ccc(F)cc2F)C[C@@H]1CC ZINC001183787720 1133858151 /nfs/dbraw/zinc/85/81/51/1133858151.db2.gz CNURLFQLXKQTOP-MVWKGKBHSA-N 1 2 341.373 3.591 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](C/C=C/c2ccc(F)cc2F)C[C@@H]1CC ZINC001183787720 1133858156 /nfs/dbraw/zinc/85/81/56/1133858156.db2.gz CNURLFQLXKQTOP-MVWKGKBHSA-N 1 2 341.373 3.591 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc2c(c1)oc1ccccc12 ZINC001183850203 1133864278 /nfs/dbraw/zinc/86/42/78/1133864278.db2.gz SJILBIKGVOXDAS-OAHLLOKOSA-N 1 2 340.398 3.750 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc2c(c1)oc1ccccc12 ZINC001183850203 1133864284 /nfs/dbraw/zinc/86/42/84/1133864284.db2.gz SJILBIKGVOXDAS-OAHLLOKOSA-N 1 2 340.398 3.750 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC001183939998 1133874945 /nfs/dbraw/zinc/87/49/45/1133874945.db2.gz VOSODZXJZFYAKQ-HNNXBMFYSA-N 1 2 325.456 3.672 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccco1 ZINC000787297651 1133985471 /nfs/dbraw/zinc/98/54/71/1133985471.db2.gz ZQEWVFJWSQWTSU-JTQLQIEISA-N 1 2 334.725 3.824 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cn1)[NH2+][C@@H](C)CCCC(C)C ZINC001170073909 1134010172 /nfs/dbraw/zinc/01/01/72/1134010172.db2.gz PQGQJTQPBOAXSO-BBRMVZONSA-N 1 2 326.868 3.624 20 0 EHADLO CC1(C)NC(=O)Nc2ccc(Nc3ccc[nH+]c3N3CCCC3)cc21 ZINC001185042342 1134023950 /nfs/dbraw/zinc/02/39/50/1134023950.db2.gz GGKCQZVJWFPUNG-UHFFFAOYSA-N 1 2 337.427 3.796 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000746703621 1134027775 /nfs/dbraw/zinc/02/77/75/1134027775.db2.gz NYWBKVUHDQCTPV-OAHLLOKOSA-N 1 2 346.475 3.546 20 0 EHADLO Cc1nc(CO[NH+]=C(N)Cc2ccccc2Cl)nc2ccccc12 ZINC000774821238 1134031943 /nfs/dbraw/zinc/03/19/43/1134031943.db2.gz MXKHTEJUKZJVGE-UHFFFAOYSA-N 1 2 340.814 3.833 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(OCC2CC2)cc1F ZINC001185850294 1134143430 /nfs/dbraw/zinc/14/34/30/1134143430.db2.gz CWLHLDMZSWOACW-UHFFFAOYSA-N 1 2 325.343 3.515 20 0 EHADLO CC/C(=C\C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000788834763 1134179001 /nfs/dbraw/zinc/17/90/01/1134179001.db2.gz OGRJRNSWRWICMY-BBKFTCMMSA-N 1 2 336.435 3.863 20 0 EHADLO Cc1cc(C)cc([C@@H](O)CNc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001186239322 1134185366 /nfs/dbraw/zinc/18/53/66/1134185366.db2.gz VHTGKIJUDIAGFX-IBGZPJMESA-N 1 2 332.407 3.645 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)C3CCCCCCC3)[nH+]c12 ZINC000746775258 1134194876 /nfs/dbraw/zinc/19/48/76/1134194876.db2.gz DVKCGQNYVBIJRW-UHFFFAOYSA-N 1 2 342.487 3.940 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ncc(Cl)s3)C2=O)c(C)c1 ZINC000788972861 1134198620 /nfs/dbraw/zinc/19/86/20/1134198620.db2.gz IXNBLQNEMSSEKU-ZDUSSCGKSA-N 1 2 349.887 3.617 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000789545221 1134294422 /nfs/dbraw/zinc/29/44/22/1134294422.db2.gz FJAWBKRSEQTWSU-HNNXBMFYSA-N 1 2 340.492 3.781 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000789545221 1134294427 /nfs/dbraw/zinc/29/44/27/1134294427.db2.gz FJAWBKRSEQTWSU-HNNXBMFYSA-N 1 2 340.492 3.781 20 0 EHADLO CC(C)c1cc(NCC(C)(C)[C@]2(O)CCCOC2)nc(C(C)C)[nH+]1 ZINC001187122880 1134300882 /nfs/dbraw/zinc/30/08/82/1134300882.db2.gz AGVZCWCLRWGUJT-IBGZPJMESA-N 1 2 335.492 3.703 20 0 EHADLO Cc1nc(Cl)ccc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001273535199 1134303008 /nfs/dbraw/zinc/30/30/08/1134303008.db2.gz AVKJFZVVQZFVNX-UHFFFAOYSA-N 1 2 340.814 3.910 20 0 EHADLO Cc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)c(Br)c(C)[nH+]1 ZINC001187305319 1134324352 /nfs/dbraw/zinc/32/43/52/1134324352.db2.gz AGVYCGQNLOKFME-HIFRSBDPSA-N 1 2 348.244 3.798 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000789791198 1134334287 /nfs/dbraw/zinc/33/42/87/1134334287.db2.gz FTTOMMXPRCAZQA-UHFFFAOYSA-N 1 2 337.423 3.570 20 0 EHADLO CC1(C)C[C@@]1(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001187489324 1134342786 /nfs/dbraw/zinc/34/27/86/1134342786.db2.gz TUZLPJFMUOJGSL-SFHVURJKSA-N 1 2 325.391 3.803 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1nc(Cl)cs1 ZINC000789919898 1134344301 /nfs/dbraw/zinc/34/43/01/1134344301.db2.gz RVIJAWQQBKSLRO-UHFFFAOYSA-N 1 2 339.207 3.888 20 0 EHADLO CCc1cc(N[C@@H](C)c2ccncc2Br)nc(CC)[nH+]1 ZINC001187518089 1134345183 /nfs/dbraw/zinc/34/51/83/1134345183.db2.gz MLRGQHRIZAGDDP-JTQLQIEISA-N 1 2 335.249 3.932 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001187695562 1134369896 /nfs/dbraw/zinc/36/98/96/1134369896.db2.gz ALGKNQKLMVTWLD-CQSZACIVSA-N 1 2 349.793 3.949 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc4c([nH]c3=O)CCC4)c2)[nH+]c1C ZINC000746880664 1134371576 /nfs/dbraw/zinc/37/15/76/1134371576.db2.gz FDRHQGFOGGQPMG-UHFFFAOYSA-N 1 2 348.406 3.535 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001187945144 1134403604 /nfs/dbraw/zinc/40/36/04/1134403604.db2.gz LGXWMMZIBJHKHM-UHFFFAOYSA-N 1 2 348.834 3.667 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CC[C@H](C(F)(F)F)C(C)(C)C3)c2c1 ZINC000790460730 1134416599 /nfs/dbraw/zinc/41/65/99/1134416599.db2.gz PZMSJKJTCRJBSR-AWEZNQCLSA-N 1 2 342.361 3.771 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CC[C@H](C(F)(F)F)C(C)(C)C3)c2c1 ZINC000790460730 1134416602 /nfs/dbraw/zinc/41/66/02/1134416602.db2.gz PZMSJKJTCRJBSR-AWEZNQCLSA-N 1 2 342.361 3.771 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000790470122 1134421630 /nfs/dbraw/zinc/42/16/30/1134421630.db2.gz GBRXEWZUJUFYJB-UHFFFAOYSA-N 1 2 331.485 3.731 20 0 EHADLO CCC1=C(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCCO1 ZINC000790478460 1134422998 /nfs/dbraw/zinc/42/29/98/1134422998.db2.gz OPWUWVKAAPLQMW-UHFFFAOYSA-N 1 2 349.500 3.788 20 0 EHADLO CSc1ccc(OCC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000075888781 1134436739 /nfs/dbraw/zinc/43/67/39/1134436739.db2.gz KMHLBHMJPQOWBO-UHFFFAOYSA-N 1 2 330.409 3.711 20 0 EHADLO CSc1ccc(OCC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000075888781 1134436743 /nfs/dbraw/zinc/43/67/43/1134436743.db2.gz KMHLBHMJPQOWBO-UHFFFAOYSA-N 1 2 330.409 3.711 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(F)cc1F ZINC000791270620 1134524751 /nfs/dbraw/zinc/52/47/51/1134524751.db2.gz YCJFTDSCUKZNIA-UHFFFAOYSA-N 1 2 328.318 3.816 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)OCCC(C)C ZINC000791350385 1134538848 /nfs/dbraw/zinc/53/88/48/1134538848.db2.gz BTFGZKRRYAUMCY-INIZCTEOSA-N 1 2 330.428 3.675 20 0 EHADLO COC1CCC(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000791428601 1134557208 /nfs/dbraw/zinc/55/72/08/1134557208.db2.gz JXWKOEGEWALQGW-UHFFFAOYSA-N 1 2 342.439 3.819 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC000791466809 1134560180 /nfs/dbraw/zinc/56/01/80/1134560180.db2.gz IAXMTBLMZUGADI-AEFFLSMTSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC000791466809 1134560186 /nfs/dbraw/zinc/56/01/86/1134560186.db2.gz IAXMTBLMZUGADI-AEFFLSMTSA-N 1 2 347.480 3.668 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2SCc2ccco2)cc[nH+]1 ZINC000791638047 1134582687 /nfs/dbraw/zinc/58/26/87/1134582687.db2.gz LBUJSHJUIHSNRY-UHFFFAOYSA-N 1 2 340.404 3.906 20 0 EHADLO Nc1cc(COC(=O)c2cc(-c3ccccn3)ccc2Cl)cc[nH+]1 ZINC000792063444 1134646588 /nfs/dbraw/zinc/64/65/88/1134646588.db2.gz IMWUVSPVGNSYNU-UHFFFAOYSA-N 1 2 339.782 3.736 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)c2ccccc2c1 ZINC000792082549 1134652543 /nfs/dbraw/zinc/65/25/43/1134652543.db2.gz SDZDIABFVOXSKU-SFHVURJKSA-N 1 2 337.423 3.587 20 0 EHADLO CCc1cn(CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c[nH+]1 ZINC001190103443 1134656144 /nfs/dbraw/zinc/65/61/44/1134656144.db2.gz LPDJQLAGIKLIRL-UHFFFAOYSA-N 1 2 341.499 3.719 20 0 EHADLO COCCOc1ccc(NCc2c[nH+]c3c(C)cccn23)cc1Cl ZINC000157243953 1134668647 /nfs/dbraw/zinc/66/86/47/1134668647.db2.gz UZUNPPIIKXTDPO-UHFFFAOYSA-N 1 2 345.830 3.933 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000792259585 1134674308 /nfs/dbraw/zinc/67/43/08/1134674308.db2.gz ANPZQZLLDAYQTI-AWEZNQCLSA-N 1 2 328.412 3.690 20 0 EHADLO Nc1[nH+]ccc2c1CN(C(=O)c1cc3c(s1)CCCCCC3)CC2 ZINC001170257454 1134725185 /nfs/dbraw/zinc/72/51/85/1134725185.db2.gz BOOCEYQUVLOWMD-UHFFFAOYSA-N 1 2 341.480 3.583 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(OC(F)(F)F)ccc1F ZINC001190657998 1134727436 /nfs/dbraw/zinc/72/74/36/1134727436.db2.gz RASVCFZQBLUYPY-UHFFFAOYSA-N 1 2 339.248 3.624 20 0 EHADLO CCOC(=O)C[N@H+](CCCc1ccsc1)Cc1ccc(F)cc1 ZINC001190672272 1134738236 /nfs/dbraw/zinc/73/82/36/1134738236.db2.gz DANOVUGIYPZDCT-UHFFFAOYSA-N 1 2 335.444 3.885 20 0 EHADLO CCOC(=O)C[N@@H+](CCCc1ccsc1)Cc1ccc(F)cc1 ZINC001190672272 1134738241 /nfs/dbraw/zinc/73/82/41/1134738241.db2.gz DANOVUGIYPZDCT-UHFFFAOYSA-N 1 2 335.444 3.885 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925570 1134765526 /nfs/dbraw/zinc/76/55/26/1134765526.db2.gz SOWJWMABAOXCIE-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925570 1134765530 /nfs/dbraw/zinc/76/55/30/1134765530.db2.gz SOWJWMABAOXCIE-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO COc1ccc2c(c1)C[C@H](Nc1nc(C3CC3)[nH+]c(C)c1OC)CC2 ZINC001170407420 1134771005 /nfs/dbraw/zinc/77/10/05/1134771005.db2.gz CWVVIQCIRPGDCD-MRXNPFEDSA-N 1 2 339.439 3.649 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000792708657 1134783722 /nfs/dbraw/zinc/78/37/22/1134783722.db2.gz ZEHRRGKNVLWABX-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000792708657 1134783726 /nfs/dbraw/zinc/78/37/26/1134783726.db2.gz ZEHRRGKNVLWABX-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO CCc1ccccc1C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001191113147 1134796075 /nfs/dbraw/zinc/79/60/75/1134796075.db2.gz SCGJBTQHZYACMX-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO CCc1ccccc1C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001191113147 1134796082 /nfs/dbraw/zinc/79/60/82/1134796082.db2.gz SCGJBTQHZYACMX-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](F)CC1CCCCC1 ZINC000792839908 1134805786 /nfs/dbraw/zinc/80/57/86/1134805786.db2.gz QKGONROMPJHJGJ-IBGZPJMESA-N 1 2 348.462 3.766 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256275 1134825504 /nfs/dbraw/zinc/82/55/04/1134825504.db2.gz HCRQHWXNYXOOAU-RHSMWYFYSA-N 1 2 341.455 3.957 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256275 1134825514 /nfs/dbraw/zinc/82/55/14/1134825514.db2.gz HCRQHWXNYXOOAU-RHSMWYFYSA-N 1 2 341.455 3.957 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](F)CC1CCCCC1 ZINC000793011004 1134838111 /nfs/dbraw/zinc/83/81/11/1134838111.db2.gz SKMIFZRHUAHMKC-LJQANCHMSA-N 1 2 343.446 3.856 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001191289003 1134841691 /nfs/dbraw/zinc/84/16/91/1134841691.db2.gz JUUNFFUSTSHSFN-ZDUSSCGKSA-N 1 2 342.842 3.920 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001191289003 1134841698 /nfs/dbraw/zinc/84/16/98/1134841698.db2.gz JUUNFFUSTSHSFN-ZDUSSCGKSA-N 1 2 342.842 3.920 20 0 EHADLO c1ccc(N(CCSC2CCCCC2)CC[NH+]2CCOCC2)cc1 ZINC001191389554 1134854198 /nfs/dbraw/zinc/85/41/98/1134854198.db2.gz DVSMTZZOSWXDFB-UHFFFAOYSA-N 1 2 348.556 3.891 20 0 EHADLO C[C@@H](CC(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793254284 1134890908 /nfs/dbraw/zinc/89/09/08/1134890908.db2.gz DFNNHSJKHSUTDJ-LBPRGKRZSA-N 1 2 340.345 3.718 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C3CC3)cnc2Cl)c1C ZINC000793299868 1134897679 /nfs/dbraw/zinc/89/76/79/1134897679.db2.gz QNBUJPLUCACGAY-UHFFFAOYSA-N 1 2 345.830 3.563 20 0 EHADLO C[C@@H](OCC1CC1)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793376452 1134915453 /nfs/dbraw/zinc/91/54/53/1134915453.db2.gz BEUNFFOFNFWMRF-CQSZACIVSA-N 1 2 340.423 3.607 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000775494887 1134947818 /nfs/dbraw/zinc/94/78/18/1134947818.db2.gz PVOUSRCYNMAVMC-KXBFYZLASA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000775494887 1134947822 /nfs/dbraw/zinc/94/78/22/1134947822.db2.gz PVOUSRCYNMAVMC-KXBFYZLASA-N 1 2 327.424 3.992 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC001192197295 1134977574 /nfs/dbraw/zinc/97/75/74/1134977574.db2.gz DYMXNFOOMGMZGQ-BEFAXECRSA-N 1 2 349.471 3.676 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001192197295 1134977580 /nfs/dbraw/zinc/97/75/80/1134977580.db2.gz DYMXNFOOMGMZGQ-BEFAXECRSA-N 1 2 349.471 3.676 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC001192213168 1134981001 /nfs/dbraw/zinc/98/10/01/1134981001.db2.gz CDODMTSUDIDOTK-JSGCOSHPSA-N 1 2 331.362 3.724 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC001192213168 1134981008 /nfs/dbraw/zinc/98/10/08/1134981008.db2.gz CDODMTSUDIDOTK-JSGCOSHPSA-N 1 2 331.362 3.724 20 0 EHADLO Oc1ccc(Cl)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001192253537 1134985875 /nfs/dbraw/zinc/98/58/75/1134985875.db2.gz UVKJMFGGSWYSMX-IBGZPJMESA-N 1 2 329.827 3.720 20 0 EHADLO Oc1ccc(Cl)c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001192253537 1134985880 /nfs/dbraw/zinc/98/58/80/1134985880.db2.gz UVKJMFGGSWYSMX-IBGZPJMESA-N 1 2 329.827 3.720 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001192233049 1134988941 /nfs/dbraw/zinc/98/89/41/1134988941.db2.gz CAYQUWLYMLYWPM-LJQANCHMSA-N 1 2 335.488 3.627 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001192233049 1134988944 /nfs/dbraw/zinc/98/89/44/1134988944.db2.gz CAYQUWLYMLYWPM-LJQANCHMSA-N 1 2 335.488 3.627 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2cc(C)ccc21 ZINC000793773905 1134992688 /nfs/dbraw/zinc/99/26/88/1134992688.db2.gz QWVORFPILPHLQM-UHFFFAOYSA-N 1 2 341.361 3.521 20 0 EHADLO COc1cccc(-c2ccc(C(=O)Nc3cccc4[nH+]ccn43)cn2)c1 ZINC001192361346 1135006070 /nfs/dbraw/zinc/00/60/70/1135006070.db2.gz HVJIFWXOKNORGK-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO CCN(CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C)c1ccccc1 ZINC000794212510 1135033348 /nfs/dbraw/zinc/03/33/48/1135033348.db2.gz GRCBLEHXOAGWMT-UHFFFAOYSA-N 1 2 334.423 3.850 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(C)(F)F)cc2)c1C ZINC000794261918 1135039748 /nfs/dbraw/zinc/03/97/48/1135039748.db2.gz RBMPZYXDPRWHEM-UHFFFAOYSA-N 1 2 334.366 3.749 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(-c4ccccn4)cc3)ccn12 ZINC001129455042 1135060501 /nfs/dbraw/zinc/06/05/01/1135060501.db2.gz JUHGOCAXSJKTHF-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CCCC[C@H](C)NC(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001193035174 1135086366 /nfs/dbraw/zinc/08/63/66/1135086366.db2.gz JJPWTUJUHLQFIW-ZDUSSCGKSA-N 1 2 345.447 3.539 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)N[C@@H]3CCc4ccccc43)c[nH+]c12 ZINC001193009163 1135088323 /nfs/dbraw/zinc/08/83/23/1135088323.db2.gz DRAYZAHINUQTBG-WMLDXEAASA-N 1 2 334.423 3.690 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(F)cc1Cl ZINC001193210610 1135114735 /nfs/dbraw/zinc/11/47/35/1135114735.db2.gz OSLKNRPFBDLASZ-OAHLLOKOSA-N 1 2 345.842 3.566 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(F)cc1Cl ZINC001193210610 1135114738 /nfs/dbraw/zinc/11/47/38/1135114738.db2.gz OSLKNRPFBDLASZ-OAHLLOKOSA-N 1 2 345.842 3.566 20 0 EHADLO CCC[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(F)cc1 ZINC000775585472 1135119793 /nfs/dbraw/zinc/11/97/93/1135119793.db2.gz DKXYCSXHJLBXMQ-UHFFFAOYSA-N 1 2 338.430 3.878 20 0 EHADLO CCC[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(F)cc1 ZINC000775585472 1135119794 /nfs/dbraw/zinc/11/97/94/1135119794.db2.gz DKXYCSXHJLBXMQ-UHFFFAOYSA-N 1 2 338.430 3.878 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccnc(C(F)F)c1 ZINC001193653657 1135167622 /nfs/dbraw/zinc/16/76/22/1135167622.db2.gz ZCJZOMKHIURXBX-UHFFFAOYSA-N 1 2 328.322 3.516 20 0 EHADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc2c3ccccc3sc21 ZINC001193732344 1135173383 /nfs/dbraw/zinc/17/33/83/1135173383.db2.gz DWMZLWHGGKGCAJ-UHFFFAOYSA-N 1 2 337.404 3.999 20 0 EHADLO CSc1nc2ncnc(NCCCc3cccc(C)[nH+]3)c2s1 ZINC000804774161 1135187708 /nfs/dbraw/zinc/18/77/08/1135187708.db2.gz CZZFOYRDVQJTGZ-UHFFFAOYSA-N 1 2 331.470 3.556 20 0 EHADLO CCCC[C@@H](CC)COC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001193973363 1135208424 /nfs/dbraw/zinc/20/84/24/1135208424.db2.gz RWRJQSSLVFMDNM-MRXNPFEDSA-N 1 2 333.476 3.993 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC001194020749 1135215896 /nfs/dbraw/zinc/21/58/96/1135215896.db2.gz PCKDGNTULLEJHX-IBGZPJMESA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC001194020749 1135215900 /nfs/dbraw/zinc/21/59/00/1135215900.db2.gz PCKDGNTULLEJHX-IBGZPJMESA-N 1 2 340.467 3.908 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)OCCc1ccccc1 ZINC001194076985 1135225677 /nfs/dbraw/zinc/22/56/77/1135225677.db2.gz MLRFEVZUZMWJDC-LJQANCHMSA-N 1 2 335.407 3.593 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1Cl ZINC001194115676 1135228304 /nfs/dbraw/zinc/22/83/04/1135228304.db2.gz DXVXKVLGWHXEQT-OAHLLOKOSA-N 1 2 339.867 3.534 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1Cl ZINC001194115676 1135228307 /nfs/dbraw/zinc/22/83/07/1135228307.db2.gz DXVXKVLGWHXEQT-OAHLLOKOSA-N 1 2 339.867 3.534 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1cccc(OC)c1 ZINC001194204778 1135243834 /nfs/dbraw/zinc/24/38/34/1135243834.db2.gz DAGGSICRDBRGQY-UHFFFAOYSA-N 1 2 345.443 3.747 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1Cl ZINC001194250596 1135250220 /nfs/dbraw/zinc/25/02/20/1135250220.db2.gz HTBCGRFGHUWIIW-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)cc1Cl ZINC001194250596 1135250225 /nfs/dbraw/zinc/25/02/25/1135250225.db2.gz HTBCGRFGHUWIIW-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO CC(C)(C)COC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001194413190 1135266625 /nfs/dbraw/zinc/26/66/25/1135266625.db2.gz FHMBTJKKFQRXJK-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001194417979 1135267252 /nfs/dbraw/zinc/26/72/52/1135267252.db2.gz MFQZRSVCLPQETL-UHFFFAOYSA-N 1 2 342.842 3.967 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001194417979 1135267255 /nfs/dbraw/zinc/26/72/55/1135267255.db2.gz MFQZRSVCLPQETL-UHFFFAOYSA-N 1 2 342.842 3.967 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001194723817 1135313482 /nfs/dbraw/zinc/31/34/82/1135313482.db2.gz KXBKUMRZTPZJAS-UHFFFAOYSA-N 1 2 333.407 3.733 20 0 EHADLO O[C@@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)cc1F ZINC000805841805 1135333378 /nfs/dbraw/zinc/33/33/78/1135333378.db2.gz UZULGVUPPZZGKY-FQEVSTJZSA-N 1 2 342.389 3.859 20 0 EHADLO O[C@@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)cc1F ZINC000805841805 1135333383 /nfs/dbraw/zinc/33/33/83/1135333383.db2.gz UZULGVUPPZZGKY-FQEVSTJZSA-N 1 2 342.389 3.859 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccccc2-c2ncc[nH]2)c1 ZINC001194908332 1135339168 /nfs/dbraw/zinc/33/91/68/1135339168.db2.gz WMNMVWWAAQRJJT-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CCCN1c1ccccc1 ZINC001195015111 1135349851 /nfs/dbraw/zinc/34/98/51/1135349851.db2.gz SDIPWRJPVCXDNN-IBGZPJMESA-N 1 2 340.854 3.894 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CCCN1c1ccccc1 ZINC001195015111 1135349854 /nfs/dbraw/zinc/34/98/54/1135349854.db2.gz SDIPWRJPVCXDNN-IBGZPJMESA-N 1 2 340.854 3.894 20 0 EHADLO Cc1cc(C)nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001195187097 1135380332 /nfs/dbraw/zinc/38/03/32/1135380332.db2.gz HRFUXIXDOIHZGV-UHFFFAOYSA-N 1 2 333.476 3.530 20 0 EHADLO Cc1cc(C)nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001195187097 1135380336 /nfs/dbraw/zinc/38/03/36/1135380336.db2.gz HRFUXIXDOIHZGV-UHFFFAOYSA-N 1 2 333.476 3.530 20 0 EHADLO O=C(Oc1ccccc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC001195193817 1135390729 /nfs/dbraw/zinc/39/07/29/1135390729.db2.gz MKJCZPKUJUDNAO-UHFFFAOYSA-N 1 2 339.317 3.738 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Oc1ccccc1C(F)(F)F ZINC001195220101 1135395756 /nfs/dbraw/zinc/39/57/56/1135395756.db2.gz ORDJXIPRJHIBMZ-UHFFFAOYSA-N 1 2 327.306 3.771 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001195456948 1135426212 /nfs/dbraw/zinc/42/62/12/1135426212.db2.gz DOIGRYDKCIYBSP-CQSZACIVSA-N 1 2 341.455 3.736 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695038 1135456511 /nfs/dbraw/zinc/45/65/11/1135456511.db2.gz SZJHJXRJYIICKQ-DJJJIMSYSA-N 1 2 345.389 3.841 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695038 1135456513 /nfs/dbraw/zinc/45/65/13/1135456513.db2.gz SZJHJXRJYIICKQ-DJJJIMSYSA-N 1 2 345.389 3.841 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(F)c1Cl ZINC000806770096 1135487147 /nfs/dbraw/zinc/48/71/47/1135487147.db2.gz WPWLCORKOOMBTH-CYBMUJFWSA-N 1 2 338.814 3.912 20 0 EHADLO CCOC(=O)[C@H]1c2ccoc2CC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC001196126231 1135518543 /nfs/dbraw/zinc/51/85/43/1135518543.db2.gz VNGWQXFERTWSCE-OXQOHEQNSA-N 1 2 339.435 3.862 20 0 EHADLO CCOC(=O)[C@H]1c2ccoc2CC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC001196126231 1135518545 /nfs/dbraw/zinc/51/85/45/1135518545.db2.gz VNGWQXFERTWSCE-OXQOHEQNSA-N 1 2 339.435 3.862 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000807219678 1135528930 /nfs/dbraw/zinc/52/89/30/1135528930.db2.gz FNLXEWBXCFAAIE-UHFFFAOYSA-N 1 2 344.434 3.891 20 0 EHADLO COc1ccccc1NC(=S)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001196249467 1135535122 /nfs/dbraw/zinc/53/51/22/1135535122.db2.gz GIVNPQYEYVBBMN-UHFFFAOYSA-N 1 2 338.436 3.749 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@H](C)C3CCC3)n2)C1 ZINC000867182123 1135578676 /nfs/dbraw/zinc/57/86/76/1135578676.db2.gz SCVSEYDDFJUTLN-CRAIPNDOSA-N 1 2 341.455 3.855 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@H](C)C3CCC3)n2)C1 ZINC000867182123 1135578679 /nfs/dbraw/zinc/57/86/79/1135578679.db2.gz SCVSEYDDFJUTLN-CRAIPNDOSA-N 1 2 341.455 3.855 20 0 EHADLO C[Si](C)(C)c1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001196604310 1135584241 /nfs/dbraw/zinc/58/42/41/1135584241.db2.gz FHZXYDYMWMIDEN-UHFFFAOYSA-N 1 2 329.491 3.766 20 0 EHADLO C[Si](C)(C)c1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001196604310 1135584245 /nfs/dbraw/zinc/58/42/45/1135584245.db2.gz FHZXYDYMWMIDEN-UHFFFAOYSA-N 1 2 329.491 3.766 20 0 EHADLO CC/C=C(\C)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186035 1135587228 /nfs/dbraw/zinc/58/72/28/1135587228.db2.gz FRAOIOOJAQSGRM-SXKJYUOZSA-N 1 2 327.428 3.765 20 0 EHADLO CC/C=C(\C)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186035 1135587232 /nfs/dbraw/zinc/58/72/32/1135587232.db2.gz FRAOIOOJAQSGRM-SXKJYUOZSA-N 1 2 327.428 3.765 20 0 EHADLO Cc1cc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc(C)n1 ZINC000794426401 1135591521 /nfs/dbraw/zinc/59/15/21/1135591521.db2.gz DUXIXJHZIGOYGJ-UHFFFAOYSA-N 1 2 348.406 3.512 20 0 EHADLO O=C(c1ccc(-c2cccs2)nc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001196783456 1135609110 /nfs/dbraw/zinc/60/91/10/1135609110.db2.gz JSDYATPKMMYCJE-CQSZACIVSA-N 1 2 338.436 3.553 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CCc1ccccc1 ZINC001196757785 1135609223 /nfs/dbraw/zinc/60/92/23/1135609223.db2.gz BEYHZDXNRNGCAB-GOSISDBHSA-N 1 2 331.843 3.647 20 0 EHADLO O=C1N(C[N@@H+]2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1 ZINC000808133814 1135620987 /nfs/dbraw/zinc/62/09/87/1135620987.db2.gz KNVDJVXLDROOJB-UHFFFAOYSA-N 1 2 341.842 3.598 20 0 EHADLO O=C1N(C[N@H+]2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1 ZINC000808133814 1135620989 /nfs/dbraw/zinc/62/09/89/1135620989.db2.gz KNVDJVXLDROOJB-UHFFFAOYSA-N 1 2 341.842 3.598 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000808137653 1135622642 /nfs/dbraw/zinc/62/26/42/1135622642.db2.gz ANPFAXQRKPKXCL-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000808137653 1135622643 /nfs/dbraw/zinc/62/26/43/1135622643.db2.gz ANPFAXQRKPKXCL-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO COC(=O)c1cc2cc(C[N@@H+]3Cc4cccc(OC)c4C3)ccc2o1 ZINC001196943159 1135632397 /nfs/dbraw/zinc/63/23/97/1135632397.db2.gz KCJSLHFHIFPYJG-UHFFFAOYSA-N 1 2 337.375 3.744 20 0 EHADLO COC(=O)c1cc2cc(C[N@H+]3Cc4cccc(OC)c4C3)ccc2o1 ZINC001196943159 1135632402 /nfs/dbraw/zinc/63/24/02/1135632402.db2.gz KCJSLHFHIFPYJG-UHFFFAOYSA-N 1 2 337.375 3.744 20 0 EHADLO CCc1cc(NC(=S)Nc2cccc(Br)c2)cc[nH+]1 ZINC001196980746 1135636605 /nfs/dbraw/zinc/63/66/05/1135636605.db2.gz SDIIXJDBRDJHGI-UHFFFAOYSA-N 1 2 336.258 3.637 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CCO1 ZINC001197013325 1135640001 /nfs/dbraw/zinc/64/00/01/1135640001.db2.gz RLKQPEKBHLOUCJ-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCO1 ZINC001197013325 1135640004 /nfs/dbraw/zinc/64/00/04/1135640004.db2.gz RLKQPEKBHLOUCJ-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1Cl ZINC001197212966 1135660671 /nfs/dbraw/zinc/66/06/71/1135660671.db2.gz YUJHQHWDTWRQCO-UHFFFAOYSA-N 1 2 345.874 3.974 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCN(C)c3ncccc3C2)cc1Cl ZINC001197212966 1135660675 /nfs/dbraw/zinc/66/06/75/1135660675.db2.gz YUJHQHWDTWRQCO-UHFFFAOYSA-N 1 2 345.874 3.974 20 0 EHADLO Cn1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)c1 ZINC000808394958 1135662574 /nfs/dbraw/zinc/66/25/74/1135662574.db2.gz VRLZHYDPPQSRDA-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=S)Nc1ccccc1C(F)(F)F ZINC001197289644 1135674268 /nfs/dbraw/zinc/67/42/68/1135674268.db2.gz LNEFPAQGYQBOGG-UHFFFAOYSA-N 1 2 342.390 3.969 20 0 EHADLO CCc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC001197499824 1135700723 /nfs/dbraw/zinc/70/07/23/1135700723.db2.gz ZXOBOILWMFIXNM-UHFFFAOYSA-N 1 2 341.358 3.773 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775782044 1135727355 /nfs/dbraw/zinc/72/73/55/1135727355.db2.gz RNHGJIJYJKARBX-UHFFFAOYSA-N 1 2 329.448 3.574 20 0 EHADLO CC(C)C[N@H+](Cc1ccccn1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001198002836 1135760833 /nfs/dbraw/zinc/76/08/33/1135760833.db2.gz XZZVXGBFKPKZPY-QGZVFWFLSA-N 1 2 335.455 3.882 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccn1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001198002836 1135760837 /nfs/dbraw/zinc/76/08/37/1135760837.db2.gz XZZVXGBFKPKZPY-QGZVFWFLSA-N 1 2 335.455 3.882 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001197988086 1135764153 /nfs/dbraw/zinc/76/41/53/1135764153.db2.gz GPPNIKCFWNEKNG-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001197988086 1135764156 /nfs/dbraw/zinc/76/41/56/1135764156.db2.gz GPPNIKCFWNEKNG-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO Cc1ccccc1NC(=S)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001198427993 1135814387 /nfs/dbraw/zinc/81/43/87/1135814387.db2.gz WYKLTFAHQREVMY-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO CC(C)[N@H+](Cc1ncc(C2OCCO2)s1)Cc1cccc(F)c1 ZINC000809545229 1135854555 /nfs/dbraw/zinc/85/45/55/1135854555.db2.gz JRGMFMMWJCWOKN-UHFFFAOYSA-N 1 2 336.432 3.738 20 0 EHADLO CC(C)[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1cccc(F)c1 ZINC000809545229 1135854557 /nfs/dbraw/zinc/85/45/57/1135854557.db2.gz JRGMFMMWJCWOKN-UHFFFAOYSA-N 1 2 336.432 3.738 20 0 EHADLO C[C@H](O)c1ncc(C[NH2+]Cc2csc(-c3ccccc3)n2)s1 ZINC000809609463 1135856995 /nfs/dbraw/zinc/85/69/95/1135856995.db2.gz DLXIZBYYFXIUSA-NSHDSACASA-N 1 2 331.466 3.610 20 0 EHADLO Brc1c(C[NH2+]C/C=C\c2ccccc2)nc2ccccn12 ZINC000809618025 1135858785 /nfs/dbraw/zinc/85/87/85/1135858785.db2.gz DZFWCNFVMFQHOS-TWGQIWQCSA-N 1 2 342.240 3.900 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccn2c1Br)c1ccccc1 ZINC000809601898 1135860883 /nfs/dbraw/zinc/86/08/83/1135860883.db2.gz NIMMGOSZIADONK-GFCCVEGCSA-N 1 2 330.229 3.948 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCC(=O)Nc1cccc(C(C)C)c1 ZINC000809791954 1135893287 /nfs/dbraw/zinc/89/32/87/1135893287.db2.gz CODFXPMEBHYPSN-UHFFFAOYSA-N 1 2 325.412 3.604 20 0 EHADLO CCCCCCOCc1cccc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000809875440 1135896760 /nfs/dbraw/zinc/89/67/60/1135896760.db2.gz MBSISJHFDDDGKQ-UHFFFAOYSA-N 1 2 344.459 3.839 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131967120 1135906547 /nfs/dbraw/zinc/90/65/47/1135906547.db2.gz ZTJYNDXLEHKXLK-ICSRJNTNSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000776017055 1135921931 /nfs/dbraw/zinc/92/19/31/1135921931.db2.gz ZEWKDCYPCVJRHO-IBGZPJMESA-N 1 2 328.412 3.810 20 0 EHADLO Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c(F)c1 ZINC001273845414 1135955102 /nfs/dbraw/zinc/95/51/02/1135955102.db2.gz IDZFLIKQJYOGDX-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO CC(C)(COC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000810556992 1135972277 /nfs/dbraw/zinc/97/22/77/1135972277.db2.gz AYAMYLXGYOHCMJ-UHFFFAOYSA-N 1 2 348.446 3.995 20 0 EHADLO Cc1ccnc(NC(=O)c2ccc(Nc3ccc(N)[nH+]c3)c(C)c2)c1 ZINC001201291490 1136001401 /nfs/dbraw/zinc/00/14/01/1136001401.db2.gz JBNJTLVUWRSHIC-UHFFFAOYSA-N 1 2 333.395 3.672 20 0 EHADLO Nc1ccc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c[nH+]1 ZINC001201291947 1136001658 /nfs/dbraw/zinc/00/16/58/1136001658.db2.gz PYDFZZWLXIPYHJ-UHFFFAOYSA-N 1 2 333.370 3.945 20 0 EHADLO Nc1ccc(Nc2cc(-c3cccc(Br)c3)no2)c[nH+]1 ZINC001201272383 1136002585 /nfs/dbraw/zinc/00/25/85/1136002585.db2.gz MHZLBBVVZYOCPP-UHFFFAOYSA-N 1 2 331.173 3.825 20 0 EHADLO CSc1cc(C)ccc1C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001201408521 1136013319 /nfs/dbraw/zinc/01/33/19/1136013319.db2.gz VIQPIHKNYRXQBX-UHFFFAOYSA-N 1 2 342.443 3.727 20 0 EHADLO CN(C(=O)C[NH2+]Cc1c(Cl)cccc1Cl)C1CCCCC1 ZINC001201441696 1136025024 /nfs/dbraw/zinc/02/50/24/1136025024.db2.gz FCCYSZIUKHONPG-UHFFFAOYSA-N 1 2 329.271 3.874 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3ccc(Cl)cc3)[nH+]c12 ZINC000747657536 1136027103 /nfs/dbraw/zinc/02/71/03/1136027103.db2.gz HCOBPHLSVHZPIL-UHFFFAOYSA-N 1 2 344.871 3.825 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Oc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000810990476 1136034166 /nfs/dbraw/zinc/03/41/66/1136034166.db2.gz DNMVZPACXVUMFZ-IBGZPJMESA-N 1 2 325.408 3.610 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Oc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000810990476 1136034169 /nfs/dbraw/zinc/03/41/69/1136034169.db2.gz DNMVZPACXVUMFZ-IBGZPJMESA-N 1 2 325.408 3.610 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Oc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000810990477 1136034457 /nfs/dbraw/zinc/03/44/57/1136034457.db2.gz DNMVZPACXVUMFZ-LJQANCHMSA-N 1 2 325.408 3.610 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Oc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000810990477 1136034460 /nfs/dbraw/zinc/03/44/60/1136034460.db2.gz DNMVZPACXVUMFZ-LJQANCHMSA-N 1 2 325.408 3.610 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC001201850505 1136070237 /nfs/dbraw/zinc/07/02/37/1136070237.db2.gz FYSBRAGKNWOIHH-QMMMGPOBSA-N 1 2 329.267 3.603 20 0 EHADLO Cc1ccc(-c2ocnc2C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132622169 1136047169 /nfs/dbraw/zinc/04/71/69/1136047169.db2.gz LMHLESQJFPDDBT-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1ccc(-c2ocnc2C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132622169 1136047171 /nfs/dbraw/zinc/04/71/71/1136047171.db2.gz LMHLESQJFPDDBT-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO O=C1C[N@@H+](CCCc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC001201671765 1136050385 /nfs/dbraw/zinc/05/03/85/1136050385.db2.gz KZXBUQYVDUNOAM-UHFFFAOYSA-N 1 2 328.843 3.621 20 0 EHADLO O=C1C[N@H+](CCCc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC001201671765 1136050388 /nfs/dbraw/zinc/05/03/88/1136050388.db2.gz KZXBUQYVDUNOAM-UHFFFAOYSA-N 1 2 328.843 3.621 20 0 EHADLO COc1cc(Br)cc(NCc2cccc3[nH+]ccn32)c1 ZINC001201815460 1136064725 /nfs/dbraw/zinc/06/47/25/1136064725.db2.gz WQHMQIYZVUSAEX-UHFFFAOYSA-N 1 2 332.201 3.718 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001132814802 1136087747 /nfs/dbraw/zinc/08/77/47/1136087747.db2.gz CRVCTYRSJBXKDH-HSALFYBXSA-N 1 2 331.419 3.544 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000811467155 1136090772 /nfs/dbraw/zinc/09/07/72/1136090772.db2.gz GPBXUFPXJBGIKR-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000811467155 1136090775 /nfs/dbraw/zinc/09/07/75/1136090775.db2.gz GPBXUFPXJBGIKR-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC001202255085 1136115052 /nfs/dbraw/zinc/11/50/52/1136115052.db2.gz CJLJGNZIDTWLSQ-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1cccc(C(F)(F)F)c1 ZINC001202303641 1136125873 /nfs/dbraw/zinc/12/58/73/1136125873.db2.gz ZTQQQQLBRGWPFR-UHFFFAOYSA-N 1 2 338.333 3.634 20 0 EHADLO O=C(Nc1ccc(Br)cc1)Nc1cccc2[nH+]ccn21 ZINC001202324698 1136129744 /nfs/dbraw/zinc/12/97/44/1136129744.db2.gz SACMXWGSWGISNW-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811730137 1136131555 /nfs/dbraw/zinc/13/15/55/1136131555.db2.gz UHFSZMLNVYAZKE-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811730137 1136131558 /nfs/dbraw/zinc/13/15/58/1136131558.db2.gz UHFSZMLNVYAZKE-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@H](C)CC3)c(=O)cc2C)cc1 ZINC000811738977 1136132828 /nfs/dbraw/zinc/13/28/28/1136132828.db2.gz BAQWBPHQFYVLGA-HNNXBMFYSA-N 1 2 325.456 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@H](C)CC3)c(=O)cc2C)cc1 ZINC000811738977 1136132830 /nfs/dbraw/zinc/13/28/30/1136132830.db2.gz BAQWBPHQFYVLGA-HNNXBMFYSA-N 1 2 325.456 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@@H](C(C)C)C3)c(=O)cc2C)cc1 ZINC000811769134 1136133662 /nfs/dbraw/zinc/13/36/62/1136133662.db2.gz RCCQZJFFNJFGHZ-LJQANCHMSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@@H](C(C)C)C3)c(=O)cc2C)cc1 ZINC000811769134 1136133665 /nfs/dbraw/zinc/13/36/65/1136133665.db2.gz RCCQZJFFNJFGHZ-LJQANCHMSA-N 1 2 339.483 3.853 20 0 EHADLO COc1ccc(NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001202392748 1136141137 /nfs/dbraw/zinc/14/11/37/1136141137.db2.gz BNAZTKUCTSPIEK-UHFFFAOYSA-N 1 2 336.395 3.545 20 0 EHADLO CC[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001133033080 1136146344 /nfs/dbraw/zinc/14/63/44/1136146344.db2.gz PUHZMQQJBDPIJF-PMACEKPBSA-N 1 2 333.435 3.934 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)OCc1ccccc1 ZINC001170664260 1136181534 /nfs/dbraw/zinc/18/15/34/1136181534.db2.gz IESFCWDHPIGTQV-GUYCJALGSA-N 1 2 345.389 3.544 20 0 EHADLO CC[N@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@@H]1CCOC1 ZINC000812296665 1136195911 /nfs/dbraw/zinc/19/59/11/1136195911.db2.gz SLNMOZINMLHDRH-SNVBAGLBSA-N 1 2 340.798 3.958 20 0 EHADLO CC[N@@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@@H]1CCOC1 ZINC000812296665 1136195913 /nfs/dbraw/zinc/19/59/13/1136195913.db2.gz SLNMOZINMLHDRH-SNVBAGLBSA-N 1 2 340.798 3.958 20 0 EHADLO S=C1OCCN1C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000812302133 1136196749 /nfs/dbraw/zinc/19/67/49/1136196749.db2.gz SLFCQGRRUBJYNI-UHFFFAOYSA-N 1 2 345.295 3.747 20 0 EHADLO CCC(=O)Nc1ccccc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000812560988 1136221745 /nfs/dbraw/zinc/22/17/45/1136221745.db2.gz YZJGIGNMZWRCID-UHFFFAOYSA-N 1 2 348.406 3.986 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H]2C=CCC2)cs1)c1ccc(F)cc1 ZINC000850359169 1136240502 /nfs/dbraw/zinc/24/05/02/1136240502.db2.gz ZJKWACQQVOAQHJ-AWEZNQCLSA-N 1 2 331.416 3.775 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H]2C=CCC2)cs1)c1ccc(C)cc1 ZINC000850359147 1136240861 /nfs/dbraw/zinc/24/08/61/1136240861.db2.gz XTYQEALQPZAAFZ-HNNXBMFYSA-N 1 2 327.453 3.944 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2csc(C(C)C)n2)n(C)c1C ZINC000812756872 1136244133 /nfs/dbraw/zinc/24/41/33/1136244133.db2.gz AKMRSDAUBVRTAU-LLVKDONJSA-N 1 2 335.473 3.551 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)CCCO2 ZINC000850443896 1136259962 /nfs/dbraw/zinc/25/99/62/1136259962.db2.gz OTFIFKHXOUMCSI-YVEFUNNKSA-N 1 2 333.378 3.674 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747833467 1136280233 /nfs/dbraw/zinc/28/02/33/1136280233.db2.gz WVULBSZGQZSBHM-HOTGVXAUSA-N 1 2 345.468 3.579 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747833467 1136280234 /nfs/dbraw/zinc/28/02/34/1136280234.db2.gz WVULBSZGQZSBHM-HOTGVXAUSA-N 1 2 345.468 3.579 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cccc(C)c2C)c1C ZINC000813615283 1136351527 /nfs/dbraw/zinc/35/15/27/1136351527.db2.gz PHHCUYBMQBBODC-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO CC(C)(C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000851397017 1136376103 /nfs/dbraw/zinc/37/61/03/1136376103.db2.gz AUBCRPMVQCQHAW-UHFFFAOYSA-N 1 2 338.451 3.819 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1sccc1Cl ZINC000851400712 1136377166 /nfs/dbraw/zinc/37/71/66/1136377166.db2.gz NDBJZXGCPWVWBZ-UHFFFAOYSA-N 1 2 336.844 3.870 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(=S)n1C1CC1 ZINC000814225113 1136425347 /nfs/dbraw/zinc/42/53/47/1136425347.db2.gz DKCCRDLYSMIDCP-INIZCTEOSA-N 1 2 328.485 3.895 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(=S)n1C1CC1 ZINC000814225113 1136425348 /nfs/dbraw/zinc/42/53/48/1136425348.db2.gz DKCCRDLYSMIDCP-INIZCTEOSA-N 1 2 328.485 3.895 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c(C)o1 ZINC000852046182 1136428921 /nfs/dbraw/zinc/42/89/21/1136428921.db2.gz MKKMZLKTYIWDIM-QGZVFWFLSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c(C)o1 ZINC000852046182 1136428924 /nfs/dbraw/zinc/42/89/24/1136428924.db2.gz MKKMZLKTYIWDIM-QGZVFWFLSA-N 1 2 349.475 3.514 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334455 1136449909 /nfs/dbraw/zinc/44/99/09/1136449909.db2.gz QVGZSLFDAYHKHE-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334455 1136449912 /nfs/dbraw/zinc/44/99/12/1136449912.db2.gz QVGZSLFDAYHKHE-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852442975 1136456393 /nfs/dbraw/zinc/45/63/93/1136456393.db2.gz JBNOIPRVYOICBH-LBPRGKRZSA-N 1 2 327.346 3.575 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852442975 1136456397 /nfs/dbraw/zinc/45/63/97/1136456397.db2.gz JBNOIPRVYOICBH-LBPRGKRZSA-N 1 2 327.346 3.575 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)CC1=CCCOC1 ZINC000852519202 1136461603 /nfs/dbraw/zinc/46/16/03/1136461603.db2.gz VNXSFYRJRGWQKX-UHFFFAOYSA-N 1 2 345.874 3.672 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)CC1=CCCOC1 ZINC000852519202 1136461605 /nfs/dbraw/zinc/46/16/05/1136461605.db2.gz VNXSFYRJRGWQKX-UHFFFAOYSA-N 1 2 345.874 3.672 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCCO2 ZINC000852781832 1136486620 /nfs/dbraw/zinc/48/66/20/1136486620.db2.gz GSPRLRAFTJSFIZ-LBPRGKRZSA-N 1 2 341.436 3.974 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000338954149 1136495710 /nfs/dbraw/zinc/49/57/10/1136495710.db2.gz WRHXRFNLPDSQDX-AWEZNQCLSA-N 1 2 349.805 3.569 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000338954149 1136495712 /nfs/dbraw/zinc/49/57/12/1136495712.db2.gz WRHXRFNLPDSQDX-AWEZNQCLSA-N 1 2 349.805 3.569 20 0 EHADLO Fc1ccc(N2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)cc1 ZINC000111138861 1136514870 /nfs/dbraw/zinc/51/48/70/1136514870.db2.gz SCAPHAHEBYYBPP-UHFFFAOYSA-N 1 2 342.443 3.530 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(CC(C)C)C2CCCC2)c1C ZINC000747985372 1136521813 /nfs/dbraw/zinc/52/18/13/1136521813.db2.gz DVKWFYPQKHHIJS-UHFFFAOYSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1nc(NCCc2ccc(Cl)nc2)c(Br)c(C)[nH+]1 ZINC000853446566 1136532798 /nfs/dbraw/zinc/53/27/98/1136532798.db2.gz CRHIBWVBGDWTSM-UHFFFAOYSA-N 1 2 341.640 3.559 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000853445829 1136533185 /nfs/dbraw/zinc/53/31/85/1136533185.db2.gz XTKVWHIUBYCQLT-MRXNPFEDSA-N 1 2 338.407 3.656 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000853606701 1136548149 /nfs/dbraw/zinc/54/81/49/1136548149.db2.gz VYULUFCMGRNPDV-AGUYFDCRSA-N 1 2 346.475 3.978 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000853606701 1136548152 /nfs/dbraw/zinc/54/81/52/1136548152.db2.gz VYULUFCMGRNPDV-AGUYFDCRSA-N 1 2 346.475 3.978 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCCC[C@@H]1CC1CCC1)-c1ccccc1C2 ZINC000853606138 1136548283 /nfs/dbraw/zinc/54/82/83/1136548283.db2.gz KTZUEMYRCKTZBC-LJQANCHMSA-N 1 2 349.478 3.817 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCCC[C@@H]1CC1CCC1)-c1ccccc1C2 ZINC000853606138 1136548286 /nfs/dbraw/zinc/54/82/86/1136548286.db2.gz KTZUEMYRCKTZBC-LJQANCHMSA-N 1 2 349.478 3.817 20 0 EHADLO Cn1ncc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)c1Cl ZINC000815114866 1136550674 /nfs/dbraw/zinc/55/06/74/1136550674.db2.gz RHALYFUVDATHRV-UHFFFAOYSA-N 1 2 346.793 3.690 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2csc(Cl)n2)c1C(=O)OC ZINC000853701327 1136557121 /nfs/dbraw/zinc/55/71/21/1136557121.db2.gz KGPKYFSAVJXWBK-UHFFFAOYSA-N 1 2 340.832 3.818 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(F)c1 ZINC000815152899 1136557685 /nfs/dbraw/zinc/55/76/85/1136557685.db2.gz ZNEDRZCSAJHOAC-UHFFFAOYSA-N 1 2 343.732 3.818 20 0 EHADLO Cc1nc(-c2cccc(-c3noc([C@@H]([NH3+])COC(C)C)n3)c2)cs1 ZINC000854147069 1136592320 /nfs/dbraw/zinc/59/23/20/1136592320.db2.gz SUKPIXIGKVOTGW-AWEZNQCLSA-N 1 2 344.440 3.593 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC000854153617 1136592975 /nfs/dbraw/zinc/59/29/75/1136592975.db2.gz QFTPWLDVIBKPTC-ZDUSSCGKSA-N 1 2 341.814 3.613 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000854343565 1136609095 /nfs/dbraw/zinc/60/90/95/1136609095.db2.gz MZIZMNVEVXGOAA-IRVMHKCDSA-N 1 2 339.439 3.622 20 0 EHADLO C[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000815567319 1136611726 /nfs/dbraw/zinc/61/17/26/1136611726.db2.gz ULMVAKOJZDWJTL-PXAZEXFGSA-N 1 2 328.366 3.566 20 0 EHADLO CCC1(CC)CC[NH+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000776771683 1136659137 /nfs/dbraw/zinc/65/91/37/1136659137.db2.gz LYUNDOKZWBPEBY-UHFFFAOYSA-N 1 2 331.489 3.862 20 0 EHADLO CCN(C(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000776806728 1136686797 /nfs/dbraw/zinc/68/67/97/1136686797.db2.gz ZPSKJPZXNYPSLP-UHFFFAOYSA-N 1 2 344.212 3.764 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000776834434 1136726877 /nfs/dbraw/zinc/72/68/77/1136726877.db2.gz XKLKHOODFITYBG-UHFFFAOYSA-N 1 2 346.365 3.715 20 0 EHADLO O=C(NCc1nc2cc(Cl)ccc2s1)c1cccc2[nH+]ccn21 ZINC000776853708 1136747672 /nfs/dbraw/zinc/74/76/72/1136747672.db2.gz WTJINDVYROEFEY-UHFFFAOYSA-N 1 2 342.811 3.527 20 0 EHADLO Cc1ccc(NC(=O)c2coc(C3CCCCC3)n2)c(N(C)C)[nH+]1 ZINC000776877567 1136759974 /nfs/dbraw/zinc/75/99/74/1136759974.db2.gz QYRZJMVYSWTOJE-UHFFFAOYSA-N 1 2 328.416 3.744 20 0 EHADLO Cc1cccc2cc(C(=O)N(C)CCCn3cc[nH+]c3)c(Cl)nc12 ZINC000816948820 1136765931 /nfs/dbraw/zinc/76/59/31/1136765931.db2.gz HRNNCPMBANMOAE-UHFFFAOYSA-N 1 2 342.830 3.555 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000816949570 1136766487 /nfs/dbraw/zinc/76/64/87/1136766487.db2.gz ZPXAVPXPKJDFAK-CQSZACIVSA-N 1 2 340.814 3.927 20 0 EHADLO Cc1c(NC(=O)c2cccc3[nH+]ccn32)cccc1OCC(F)(F)F ZINC000776889406 1136787484 /nfs/dbraw/zinc/78/74/84/1136787484.db2.gz PMLLGPYPZCJSDW-UHFFFAOYSA-N 1 2 349.312 3.836 20 0 EHADLO CCOc1nn(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(=S)s1 ZINC000114445055 1136798199 /nfs/dbraw/zinc/79/81/99/1136798199.db2.gz FNFDMGZIYMIFCI-HNNXBMFYSA-N 1 2 325.503 3.853 20 0 EHADLO CCOc1nn(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(=S)s1 ZINC000114445055 1136798202 /nfs/dbraw/zinc/79/82/02/1136798202.db2.gz FNFDMGZIYMIFCI-HNNXBMFYSA-N 1 2 325.503 3.853 20 0 EHADLO CCOc1nn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(=S)s1 ZINC000114445056 1136798543 /nfs/dbraw/zinc/79/85/43/1136798543.db2.gz FNFDMGZIYMIFCI-OAHLLOKOSA-N 1 2 325.503 3.853 20 0 EHADLO CCOc1nn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(=S)s1 ZINC000114445056 1136798546 /nfs/dbraw/zinc/79/85/46/1136798546.db2.gz FNFDMGZIYMIFCI-OAHLLOKOSA-N 1 2 325.503 3.853 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c(=S)n1C ZINC000817368891 1136800835 /nfs/dbraw/zinc/80/08/35/1136800835.db2.gz NFKOYEHQWPLNKQ-OAHLLOKOSA-N 1 2 346.500 3.989 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC[C@@H](C3CCCC3)C2)c(=S)n1C ZINC000817368891 1136800837 /nfs/dbraw/zinc/80/08/37/1136800837.db2.gz NFKOYEHQWPLNKQ-OAHLLOKOSA-N 1 2 346.500 3.989 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000817365038 1136803695 /nfs/dbraw/zinc/80/36/95/1136803695.db2.gz MNDZKLHKKDYQSG-NWDGAFQWSA-N 1 2 348.434 3.657 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000817365038 1136803698 /nfs/dbraw/zinc/80/36/98/1136803698.db2.gz MNDZKLHKKDYQSG-NWDGAFQWSA-N 1 2 348.434 3.657 20 0 EHADLO CCOc1ccc(OC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001135911452 1136804614 /nfs/dbraw/zinc/80/46/14/1136804614.db2.gz JLHUMNOBNFPWMH-GOSISDBHSA-N 1 2 336.391 3.936 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817405999 1136804913 /nfs/dbraw/zinc/80/49/13/1136804913.db2.gz HQFWQZBUGIBERW-MOPGFXCFSA-N 1 2 343.492 3.950 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817405999 1136804916 /nfs/dbraw/zinc/80/49/16/1136804916.db2.gz HQFWQZBUGIBERW-MOPGFXCFSA-N 1 2 343.492 3.950 20 0 EHADLO Cc1cncnc1OC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001137655529 1136809529 /nfs/dbraw/zinc/80/95/29/1136809529.db2.gz SAONEQHNJDARGI-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Fc1ccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)nc1 ZINC000817578289 1136822465 /nfs/dbraw/zinc/82/24/65/1136822465.db2.gz JSOCCDQDTMLFFJ-GFCCVEGCSA-N 1 2 342.237 3.681 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000817587754 1136826382 /nfs/dbraw/zinc/82/63/82/1136826382.db2.gz ZRLUJNFZBFYEOX-AEFFLSMTSA-N 1 2 337.467 3.666 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001136051050 1136844493 /nfs/dbraw/zinc/84/44/93/1136844493.db2.gz PSNYKRVMASVYKH-HXUWFJFHSA-N 1 2 333.435 3.833 20 0 EHADLO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000817950104 1136850880 /nfs/dbraw/zinc/85/08/80/1136850880.db2.gz RUVWXQRTQQVTNS-ZIAGYGMSSA-N 1 2 338.398 3.824 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000818194876 1136865379 /nfs/dbraw/zinc/86/53/79/1136865379.db2.gz QMDDDQLCLZBTKN-HOTGVXAUSA-N 1 2 328.460 3.690 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)n1 ZINC000818219535 1136866994 /nfs/dbraw/zinc/86/69/94/1136866994.db2.gz BALKXZYPOLCYHT-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170895770 1136869314 /nfs/dbraw/zinc/86/93/14/1136869314.db2.gz VJEDWAOEGHBVJW-APWZRJJASA-N 1 2 343.854 3.571 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)n1 ZINC000818344929 1136873330 /nfs/dbraw/zinc/87/33/30/1136873330.db2.gz QXVJGJVLKMWXJB-SNVBAGLBSA-N 1 2 347.513 3.951 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000339007906 1136916755 /nfs/dbraw/zinc/91/67/55/1136916755.db2.gz WQFKXDPAHQMPAL-MSOLQXFVSA-N 1 2 341.455 3.778 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000339007906 1136916760 /nfs/dbraw/zinc/91/67/60/1136916760.db2.gz WQFKXDPAHQMPAL-MSOLQXFVSA-N 1 2 341.455 3.778 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981097 1136926831 /nfs/dbraw/zinc/92/68/31/1136926831.db2.gz XCZNWNZQXJCYGL-CYBMUJFWSA-N 1 2 331.828 3.555 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977160 1136926846 /nfs/dbraw/zinc/92/68/46/1136926846.db2.gz AUXMTVBPIPLWPV-YHAOYDPOSA-N 1 2 336.222 3.854 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857975546 1136926982 /nfs/dbraw/zinc/92/69/82/1136926982.db2.gz PAYKZQBPQHJMNI-CVEARBPZSA-N 1 2 331.847 3.927 20 0 EHADLO CCCCCCOc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857987140 1136927198 /nfs/dbraw/zinc/92/71/98/1136927198.db2.gz VAMDUUOJUWVGIZ-SFHVURJKSA-N 1 2 341.455 3.646 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCc1ccccc1Cl)CCN2 ZINC000858000824 1136928616 /nfs/dbraw/zinc/92/86/16/1136928616.db2.gz MHIRBZLZMALWLL-UHFFFAOYSA-N 1 2 329.831 3.825 20 0 EHADLO Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)nc(C2CC2)[nH+]1 ZINC000858008885 1136929009 /nfs/dbraw/zinc/92/90/09/1136929009.db2.gz ICRJVCAUADLFQH-KRWDZBQOSA-N 1 2 336.439 3.593 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000858031008 1136933727 /nfs/dbraw/zinc/93/37/27/1136933727.db2.gz DKXBLHHDJVMJRV-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000858031008 1136933728 /nfs/dbraw/zinc/93/37/28/1136933728.db2.gz DKXBLHHDJVMJRV-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046148 1136935114 /nfs/dbraw/zinc/93/51/14/1136935114.db2.gz IFAQTQREFYWOBW-BBRMVZONSA-N 1 2 342.443 3.680 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046148 1136935116 /nfs/dbraw/zinc/93/51/16/1136935116.db2.gz IFAQTQREFYWOBW-BBRMVZONSA-N 1 2 342.443 3.680 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)COc1ccccc1Cl ZINC000819409329 1136937001 /nfs/dbraw/zinc/93/70/01/1136937001.db2.gz ROYKDPXADQXPGX-OAHLLOKOSA-N 1 2 334.847 3.566 20 0 EHADLO COc1ccncc1C[NH2+]Cc1cc(C)c(F)cc1Br ZINC000858169468 1136946115 /nfs/dbraw/zinc/94/61/15/1136946115.db2.gz VXLJHMKFLLWETL-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CC(C)(C)SCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819875838 1136964486 /nfs/dbraw/zinc/96/44/86/1136964486.db2.gz LIONSQVCYMEMEZ-HNNXBMFYSA-N 1 2 331.485 3.580 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000819901137 1136965501 /nfs/dbraw/zinc/96/55/01/1136965501.db2.gz SRMRCYSNAGOJIU-IBGZPJMESA-N 1 2 337.467 3.553 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000819901137 1136965504 /nfs/dbraw/zinc/96/55/04/1136965504.db2.gz SRMRCYSNAGOJIU-IBGZPJMESA-N 1 2 337.467 3.553 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC[C@@H]2CCCC2(C)C)C1 ZINC000858648737 1136983852 /nfs/dbraw/zinc/98/38/52/1136983852.db2.gz RWNLPHDHTXSDPK-CVEARBPZSA-N 1 2 332.492 3.526 20 0 EHADLO CC[NH+]1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 ZINC000820598618 1136999514 /nfs/dbraw/zinc/99/95/14/1136999514.db2.gz GWXCRCJSRUCIFW-UHFFFAOYSA-N 1 2 328.165 3.549 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H](c1ccccn1)C1CCC1 ZINC000858704925 1136987646 /nfs/dbraw/zinc/98/76/46/1136987646.db2.gz YRRRXYHRXLPDRA-INIZCTEOSA-N 1 2 336.443 3.930 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1nc(C2CC2)cs1 ZINC001136329692 1136988056 /nfs/dbraw/zinc/98/80/56/1136988056.db2.gz LKHDCDJXZOITFZ-UHFFFAOYSA-N 1 2 328.372 3.598 20 0 EHADLO CCOc1cccc(/C=C\C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858728067 1136989064 /nfs/dbraw/zinc/98/90/64/1136989064.db2.gz UQOIDBZSUQZGGY-LPADLIQXSA-N 1 2 341.455 3.526 20 0 EHADLO O=C(/C=C\c1ccccc1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820510752 1136995322 /nfs/dbraw/zinc/99/53/22/1136995322.db2.gz RPWOTPRGIPNCBM-KTKRTIGZSA-N 1 2 337.810 3.855 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(OC(C)(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000820858787 1137006894 /nfs/dbraw/zinc/00/68/94/1137006894.db2.gz AZZVOFBUHJGUHN-MAUKXSAKSA-N 1 2 341.455 3.784 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)c2)[nH+]c1C ZINC001136399192 1137012598 /nfs/dbraw/zinc/01/25/98/1137012598.db2.gz NBDAMPXRIFQZDH-APPDUMDISA-N 1 2 325.412 3.637 20 0 EHADLO CCOCC[N@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000859829971 1137033366 /nfs/dbraw/zinc/03/33/66/1137033366.db2.gz MGGNTRUVKDTBBZ-INIZCTEOSA-N 1 2 333.863 3.600 20 0 EHADLO CCOCC[N@@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000859829971 1137033368 /nfs/dbraw/zinc/03/33/68/1137033368.db2.gz MGGNTRUVKDTBBZ-INIZCTEOSA-N 1 2 333.863 3.600 20 0 EHADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2cc3ccccc3c(Cl)n2)n[nH]1 ZINC000859887999 1137035897 /nfs/dbraw/zinc/03/58/97/1137035897.db2.gz MLMIKKGCNKLUKL-MRXNPFEDSA-N 1 2 340.814 3.721 20 0 EHADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3c(Cl)n2)n[nH]1 ZINC000859887999 1137035898 /nfs/dbraw/zinc/03/58/98/1137035898.db2.gz MLMIKKGCNKLUKL-MRXNPFEDSA-N 1 2 340.814 3.721 20 0 EHADLO CCCCC[C@@H](O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000822533803 1137062855 /nfs/dbraw/zinc/06/28/55/1137062855.db2.gz MVHJCZLVHVRJOG-GOSISDBHSA-N 1 2 341.455 3.766 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)ccc1Oc1ccccc1 ZINC001136601861 1137067103 /nfs/dbraw/zinc/06/71/03/1137067103.db2.gz LRSYSIBSSASOJJ-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO C[C@@]1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1(Cl)Cl ZINC000822651777 1137068242 /nfs/dbraw/zinc/06/82/42/1137068242.db2.gz CDLPFDWXTLTFRH-CQSZACIVSA-N 1 2 342.201 3.924 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692049 1137070612 /nfs/dbraw/zinc/07/06/12/1137070612.db2.gz TXPGGPRAQQMCMX-ZFWWWQNUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692049 1137070613 /nfs/dbraw/zinc/07/06/13/1137070613.db2.gz TXPGGPRAQQMCMX-ZFWWWQNUSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)ccc1-n1cc[nH+]c1 ZINC001136625210 1137073016 /nfs/dbraw/zinc/07/30/16/1137073016.db2.gz BEGFNHZFEZWYIF-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823067226 1137085655 /nfs/dbraw/zinc/08/56/55/1137085655.db2.gz LSGNFUPBEIDHPR-FQEVSTJZSA-N 1 2 337.398 3.939 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005369 1137086689 /nfs/dbraw/zinc/08/66/89/1137086689.db2.gz ORAWXNNIALYCKC-WMLDXEAASA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005369 1137086691 /nfs/dbraw/zinc/08/66/91/1137086691.db2.gz ORAWXNNIALYCKC-WMLDXEAASA-N 1 2 334.435 3.582 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000823128263 1137088161 /nfs/dbraw/zinc/08/81/61/1137088161.db2.gz GECKCBYAHJRMJT-WCQYABFASA-N 1 2 343.302 3.896 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000823128263 1137088162 /nfs/dbraw/zinc/08/81/62/1137088162.db2.gz GECKCBYAHJRMJT-WCQYABFASA-N 1 2 343.302 3.896 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(OC)c2C)n1 ZINC000823224271 1137091358 /nfs/dbraw/zinc/09/13/58/1137091358.db2.gz KAVSBZPSTSROKC-UHFFFAOYSA-N 1 2 333.457 3.554 20 0 EHADLO CC[C@@H](Cc1ccccc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823393647 1137098080 /nfs/dbraw/zinc/09/80/80/1137098080.db2.gz LKKUOLVCGRTURH-GJZGRUSLSA-N 1 2 345.443 3.538 20 0 EHADLO O=C(/C=C/[C@@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823769392 1137113212 /nfs/dbraw/zinc/11/32/12/1137113212.db2.gz ASZXWSCHSFKXTI-OFAQMXQXSA-N 1 2 337.423 3.560 20 0 EHADLO Brc1cc(C[NH+]2CC3(C2)CCCCC3)cc2c1OCO2 ZINC001136846720 1137130658 /nfs/dbraw/zinc/13/06/58/1137130658.db2.gz AVGSXPTYHTYDQY-UHFFFAOYSA-N 1 2 338.245 3.944 20 0 EHADLO COCCC1CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001136854501 1137132084 /nfs/dbraw/zinc/13/20/84/1137132084.db2.gz ZSHVLOKEUDPKAX-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1Cl ZINC000862236590 1137133959 /nfs/dbraw/zinc/13/39/59/1137133959.db2.gz OUUDTDDMZIUZTC-ZDUSSCGKSA-N 1 2 345.817 3.778 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527414 1137141501 /nfs/dbraw/zinc/14/15/01/1137141501.db2.gz VNNNRPZESLSWNW-QGZVFWFLSA-N 1 2 335.455 3.601 20 0 EHADLO FC(F)(F)Sc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000824603714 1137144755 /nfs/dbraw/zinc/14/47/55/1137144755.db2.gz ZCEKFJATZQCVBF-UHFFFAOYSA-N 1 2 328.363 3.584 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC001136932643 1137149230 /nfs/dbraw/zinc/14/92/30/1137149230.db2.gz PCAHVZHFXRBGGH-QAPCUYQASA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC001136932643 1137149232 /nfs/dbraw/zinc/14/92/32/1137149232.db2.gz PCAHVZHFXRBGGH-QAPCUYQASA-N 1 2 344.842 3.861 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)no1 ZINC001136930220 1137150155 /nfs/dbraw/zinc/15/01/55/1137150155.db2.gz DTJUWOPHJXMPQO-SECBINFHSA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)no1 ZINC001136930220 1137150157 /nfs/dbraw/zinc/15/01/57/1137150157.db2.gz DTJUWOPHJXMPQO-SECBINFHSA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)COc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001136935744 1137152178 /nfs/dbraw/zinc/15/21/78/1137152178.db2.gz QTHACXWLRUHQII-UHFFFAOYSA-N 1 2 346.421 3.648 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000824883996 1137156916 /nfs/dbraw/zinc/15/69/16/1137156916.db2.gz RLZHIVNJYVZTSC-CYBMUJFWSA-N 1 2 335.220 3.800 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000824883996 1137156917 /nfs/dbraw/zinc/15/69/17/1137156917.db2.gz RLZHIVNJYVZTSC-CYBMUJFWSA-N 1 2 335.220 3.800 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)c[nH]c2c1 ZINC001136970851 1137160830 /nfs/dbraw/zinc/16/08/30/1137160830.db2.gz WCILTENWBXBBAO-MSOLQXFVSA-N 1 2 341.455 3.670 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)c[nH]c2c1 ZINC001136970851 1137160832 /nfs/dbraw/zinc/16/08/32/1137160832.db2.gz WCILTENWBXBBAO-MSOLQXFVSA-N 1 2 341.455 3.670 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)CCN1C(=O)OC(C)(C)C ZINC001136979996 1137162611 /nfs/dbraw/zinc/16/26/11/1137162611.db2.gz YAOFQJUKRWQVLF-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCN1C(=O)OC(C)(C)C ZINC001136979996 1137162612 /nfs/dbraw/zinc/16/26/12/1137162612.db2.gz YAOFQJUKRWQVLF-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000825103363 1137163458 /nfs/dbraw/zinc/16/34/58/1137163458.db2.gz DCAZGVKNHMEHDA-LJQANCHMSA-N 1 2 343.423 3.998 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000825103363 1137163460 /nfs/dbraw/zinc/16/34/60/1137163460.db2.gz DCAZGVKNHMEHDA-LJQANCHMSA-N 1 2 343.423 3.998 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)[C@H](c2ccccc2)C1 ZINC001136997706 1137168639 /nfs/dbraw/zinc/16/86/39/1137168639.db2.gz KYPBXYPMYAIHSN-AEFFLSMTSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)[C@H](c2ccccc2)C1 ZINC001136997706 1137168640 /nfs/dbraw/zinc/16/86/40/1137168640.db2.gz KYPBXYPMYAIHSN-AEFFLSMTSA-N 1 2 344.842 3.861 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136997588 1137168714 /nfs/dbraw/zinc/16/87/14/1137168714.db2.gz FYLHPQARYTZSAD-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136997588 1137168715 /nfs/dbraw/zinc/16/87/15/1137168715.db2.gz FYLHPQARYTZSAD-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)[C@H](C)C1 ZINC001143824667 1137202121 /nfs/dbraw/zinc/20/21/21/1137202121.db2.gz MLCOIQXXCOYRRZ-NXEZZACHSA-N 1 2 334.204 3.727 20 0 EHADLO CCSCC[C@H](C)NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001137013485 1137171507 /nfs/dbraw/zinc/17/15/07/1137171507.db2.gz VWGSLWXAMPFITM-HRCADAONSA-N 1 2 335.517 3.700 20 0 EHADLO COc1cccc(CC2(C(=O)OCc3c[nH+]cn3C)CCCCC2)c1 ZINC000805889723 1137171789 /nfs/dbraw/zinc/17/17/89/1137171789.db2.gz MOGRARNGMRSOLT-UHFFFAOYSA-N 1 2 342.439 3.665 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340939 1137181670 /nfs/dbraw/zinc/18/16/70/1137181670.db2.gz OMXOLWOJAXJSQP-QAVQXKDTSA-N 1 2 334.411 3.612 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340939 1137181671 /nfs/dbraw/zinc/18/16/71/1137181671.db2.gz OMXOLWOJAXJSQP-QAVQXKDTSA-N 1 2 334.411 3.612 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341508 1137181770 /nfs/dbraw/zinc/18/17/70/1137181770.db2.gz RSJMHLFLHRNCAO-JFDDCEBESA-N 1 2 345.516 3.821 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341508 1137181772 /nfs/dbraw/zinc/18/17/72/1137181772.db2.gz RSJMHLFLHRNCAO-JFDDCEBESA-N 1 2 345.516 3.821 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143363382 1137182544 /nfs/dbraw/zinc/18/25/44/1137182544.db2.gz SOFZXKMFASOCAI-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143363382 1137182545 /nfs/dbraw/zinc/18/25/45/1137182545.db2.gz SOFZXKMFASOCAI-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)[C@H](C)C1 ZINC001143824667 1137202119 /nfs/dbraw/zinc/20/21/19/1137202119.db2.gz MLCOIQXXCOYRRZ-NXEZZACHSA-N 1 2 334.204 3.727 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)[C@H]1C ZINC001143860535 1137204882 /nfs/dbraw/zinc/20/48/82/1137204882.db2.gz QCXSQYJLEYFGGA-UWVGGRQHSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)[C@H]1C ZINC001143860535 1137204884 /nfs/dbraw/zinc/20/48/84/1137204884.db2.gz QCXSQYJLEYFGGA-UWVGGRQHSA-N 1 2 334.218 3.906 20 0 EHADLO C[C@@]1(O)CC[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143880134 1137209127 /nfs/dbraw/zinc/20/91/27/1137209127.db2.gz ISHHUPBWDUJIDG-GFCCVEGCSA-N 1 2 328.161 3.969 20 0 EHADLO C[C@@]1(O)CC[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143880134 1137209128 /nfs/dbraw/zinc/20/91/28/1137209128.db2.gz ISHHUPBWDUJIDG-GFCCVEGCSA-N 1 2 328.161 3.969 20 0 EHADLO CC[C@H](OCC[N@H+](C)Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000844325346 1137212983 /nfs/dbraw/zinc/21/29/83/1137212983.db2.gz WEUILOMXZAAMRG-KRWDZBQOSA-N 1 2 335.879 3.982 20 0 EHADLO CC[C@H](OCC[N@@H+](C)Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000844325346 1137212984 /nfs/dbraw/zinc/21/29/84/1137212984.db2.gz WEUILOMXZAAMRG-KRWDZBQOSA-N 1 2 335.879 3.982 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143945334 1137217330 /nfs/dbraw/zinc/21/73/30/1137217330.db2.gz CYCSCKLOZHMWDR-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143945334 1137217331 /nfs/dbraw/zinc/21/73/31/1137217331.db2.gz CYCSCKLOZHMWDR-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C2(CCC2)CO1 ZINC000844422339 1137219617 /nfs/dbraw/zinc/21/96/17/1137219617.db2.gz NGNISBFGXSUHSE-LBPRGKRZSA-N 1 2 327.346 3.575 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C2(CCC2)CO1 ZINC000844422339 1137219618 /nfs/dbraw/zinc/21/96/18/1137219618.db2.gz NGNISBFGXSUHSE-LBPRGKRZSA-N 1 2 327.346 3.575 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)o1 ZINC000844409848 1137220625 /nfs/dbraw/zinc/22/06/25/1137220625.db2.gz LZKLCOKHRVZNQW-DZGCQCFKSA-N 1 2 344.459 3.759 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)o1 ZINC000844409849 1137220731 /nfs/dbraw/zinc/22/07/31/1137220731.db2.gz LZKLCOKHRVZNQW-HIFRSBDPSA-N 1 2 344.459 3.759 20 0 EHADLO CCc1ccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000145093016 1137221489 /nfs/dbraw/zinc/22/14/89/1137221489.db2.gz NGUCAZYBCFRXBK-MRXNPFEDSA-N 1 2 330.501 3.847 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794626134 1137221521 /nfs/dbraw/zinc/22/15/21/1137221521.db2.gz GXMCCVORBUQANS-AWEZNQCLSA-N 1 2 332.473 3.552 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794626134 1137221522 /nfs/dbraw/zinc/22/15/22/1137221522.db2.gz GXMCCVORBUQANS-AWEZNQCLSA-N 1 2 332.473 3.552 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440908 1137223390 /nfs/dbraw/zinc/22/33/90/1137223390.db2.gz WKTQRZKYQZMZQB-IAQYHMDHSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440908 1137223392 /nfs/dbraw/zinc/22/33/92/1137223392.db2.gz WKTQRZKYQZMZQB-IAQYHMDHSA-N 1 2 328.790 3.788 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844441137 1137223611 /nfs/dbraw/zinc/22/36/11/1137223611.db2.gz WORWUIULBRNBPF-QGZVFWFLSA-N 1 2 333.382 3.590 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844441137 1137223613 /nfs/dbraw/zinc/22/36/13/1137223613.db2.gz WORWUIULBRNBPF-QGZVFWFLSA-N 1 2 333.382 3.590 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001144004803 1137225134 /nfs/dbraw/zinc/22/51/34/1137225134.db2.gz IVIGUYLQJRHROL-CQSZACIVSA-N 1 2 331.334 3.537 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC[C@@H]1C(C)=O ZINC001144004803 1137225136 /nfs/dbraw/zinc/22/51/36/1137225136.db2.gz IVIGUYLQJRHROL-CQSZACIVSA-N 1 2 331.334 3.537 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CC2CCC2)nc1-c1ccccn1 ZINC000794688783 1137232105 /nfs/dbraw/zinc/23/21/05/1137232105.db2.gz RAYBIZJWAAASEL-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CC2CCC2)nc1-c1ccccn1 ZINC000794688783 1137232106 /nfs/dbraw/zinc/23/21/06/1137232106.db2.gz RAYBIZJWAAASEL-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO O=C1CCCCN1c1cccnc1-c1cccc(Cn2cc[nH+]c2)c1 ZINC000864533063 1137233361 /nfs/dbraw/zinc/23/33/61/1137233361.db2.gz HPNWRGJXPBAGLX-UHFFFAOYSA-N 1 2 332.407 3.510 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(OC(F)(F)F)c1 ZINC001144057088 1137235587 /nfs/dbraw/zinc/23/55/87/1137235587.db2.gz UOGZRHAUXKAUPC-SNVBAGLBSA-N 1 2 343.267 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(OC(F)(F)F)c1 ZINC001144057088 1137235589 /nfs/dbraw/zinc/23/55/89/1137235589.db2.gz UOGZRHAUXKAUPC-SNVBAGLBSA-N 1 2 343.267 3.978 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144137184 1137242958 /nfs/dbraw/zinc/24/29/58/1137242958.db2.gz IDBTZYVCCIBLFJ-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144137184 1137242959 /nfs/dbraw/zinc/24/29/59/1137242959.db2.gz IDBTZYVCCIBLFJ-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO CC[C@H]1[N@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@]12CCC(=O)N2 ZINC001144127066 1137243823 /nfs/dbraw/zinc/24/38/23/1137243823.db2.gz QCIBUYXBIGWABB-WBVHZDCISA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@H]1[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@]12CCC(=O)N2 ZINC001144127066 1137243825 /nfs/dbraw/zinc/24/38/25/1137243825.db2.gz QCIBUYXBIGWABB-WBVHZDCISA-N 1 2 342.817 3.641 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686443 1137246742 /nfs/dbraw/zinc/24/67/42/1137246742.db2.gz PWZXKMPEPJIVIH-LLVKDONJSA-N 1 2 325.865 3.559 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686443 1137246744 /nfs/dbraw/zinc/24/67/44/1137246744.db2.gz PWZXKMPEPJIVIH-LLVKDONJSA-N 1 2 325.865 3.559 20 0 EHADLO COCc1cc[nH+]c(NCc2ccc(NC(=O)OC(C)(C)C)nc2)c1 ZINC000844708860 1137247185 /nfs/dbraw/zinc/24/71/85/1137247185.db2.gz UMDHUQMWJJRLMH-UHFFFAOYSA-N 1 2 344.415 3.582 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144191642 1137249568 /nfs/dbraw/zinc/24/95/68/1137249568.db2.gz VCWNBEGWILPGJF-UHFFFAOYSA-N 1 2 337.398 3.797 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844759938 1137250347 /nfs/dbraw/zinc/25/03/47/1137250347.db2.gz NLCBINHWWVMEFO-LBPRGKRZSA-N 1 2 334.464 3.501 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844759938 1137250348 /nfs/dbraw/zinc/25/03/48/1137250348.db2.gz NLCBINHWWVMEFO-LBPRGKRZSA-N 1 2 334.464 3.501 20 0 EHADLO CN(c1ccc(Nc2cnc3c(cnn3C)c2)c[nH+]1)C1CCCCC1 ZINC001212613516 1137251042 /nfs/dbraw/zinc/25/10/42/1137251042.db2.gz XYHQKMMDQGJXCY-UHFFFAOYSA-N 1 2 336.443 3.876 20 0 EHADLO CCn1cc(C[N@H+](Cn2ccc(-c3cccs3)n2)C(C)C)cn1 ZINC000844737318 1137251242 /nfs/dbraw/zinc/25/12/42/1137251242.db2.gz MRVKJICQRVHHNM-UHFFFAOYSA-N 1 2 329.473 3.696 20 0 EHADLO CCn1cc(C[N@@H+](Cn2ccc(-c3cccs3)n2)C(C)C)cn1 ZINC000844737318 1137251243 /nfs/dbraw/zinc/25/12/43/1137251243.db2.gz MRVKJICQRVHHNM-UHFFFAOYSA-N 1 2 329.473 3.696 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000844796743 1137252728 /nfs/dbraw/zinc/25/27/28/1137252728.db2.gz CAOGPBORBLUWQA-UHFFFAOYSA-N 1 2 341.459 3.557 20 0 EHADLO CCOC1CC2(C[C@H]2C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000864993741 1137257102 /nfs/dbraw/zinc/25/71/02/1137257102.db2.gz RZMRBFQJEDOFEP-GNZRSQJKSA-N 1 2 339.439 3.837 20 0 EHADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865102714 1137263056 /nfs/dbraw/zinc/26/30/56/1137263056.db2.gz GGRZVPMZVCLZNX-AATRIKPKSA-N 1 2 348.512 3.713 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCc3ccccc3C2)n1 ZINC000845265535 1137282813 /nfs/dbraw/zinc/28/28/13/1137282813.db2.gz BKUQABFLAOPMIX-INIZCTEOSA-N 1 2 343.496 3.729 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2)n1cc[nH+]c1 ZINC000845277923 1137283254 /nfs/dbraw/zinc/28/32/54/1137283254.db2.gz KVLDNZJHZRGSSH-DOFAYWRZSA-N 1 2 344.455 3.551 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(Cl)nc1C(F)(F)F)n1cc[nH+]c1 ZINC000845286131 1137283545 /nfs/dbraw/zinc/28/35/45/1137283545.db2.gz VMAKFLHNWWUWSZ-SECBINFHSA-N 1 2 347.724 3.645 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1)n1cc[nH+]c1 ZINC000845283662 1137283678 /nfs/dbraw/zinc/28/36/78/1137283678.db2.gz YOQDICULSPNQHB-KBPBESRZSA-N 1 2 325.368 3.794 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc(C)c1Br)c1c(C)noc1C ZINC000865512649 1137290421 /nfs/dbraw/zinc/29/04/21/1137290421.db2.gz RCBYJIXLJGOCAG-LBPRGKRZSA-N 1 2 338.249 3.998 20 0 EHADLO COCC[C@@H]([NH2+]Cc1cccnc1Br)c1ccc(C)o1 ZINC000865524266 1137291404 /nfs/dbraw/zinc/29/14/04/1137291404.db2.gz UHGDGYRXLORSAV-CYBMUJFWSA-N 1 2 339.233 3.613 20 0 EHADLO COCC[C@H]([NH2+]Cc1nccc(C)c1Br)c1ccco1 ZINC000865524891 1137291784 /nfs/dbraw/zinc/29/17/84/1137291784.db2.gz PEGBMXBQTFRBFW-LBPRGKRZSA-N 1 2 339.233 3.613 20 0 EHADLO CCCCOc1ccccc1COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845451317 1137292663 /nfs/dbraw/zinc/29/26/63/1137292663.db2.gz XBEGUELFDWIMKK-UHFFFAOYSA-N 1 2 342.439 3.684 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc[nH]c2C2CCC2)[nH+]1 ZINC000845468352 1137293852 /nfs/dbraw/zinc/29/38/52/1137293852.db2.gz BWPXQDUAOKJRDL-UHFFFAOYSA-N 1 2 342.439 3.792 20 0 EHADLO Cc1ccc(C[C@@H](OC(=O)Cc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000845474749 1137294051 /nfs/dbraw/zinc/29/40/51/1137294051.db2.gz CFQQVPDHOORZBS-LJQANCHMSA-N 1 2 338.451 3.635 20 0 EHADLO Cc1noc(C)c1C[C@@H](C)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865549771 1137294302 /nfs/dbraw/zinc/29/43/02/1137294302.db2.gz VKVYLWFWQCCUQA-CYBMUJFWSA-N 1 2 337.427 3.737 20 0 EHADLO Cc1noc(C)c1C[C@@H](C)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865549771 1137294303 /nfs/dbraw/zinc/29/43/03/1137294303.db2.gz VKVYLWFWQCCUQA-CYBMUJFWSA-N 1 2 337.427 3.737 20 0 EHADLO C[C@@H](CC(=O)OCCc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845478293 1137295829 /nfs/dbraw/zinc/29/58/29/1137295829.db2.gz VTDAEQILTJTBPR-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO Cc1[nH+]c(N[C@H]2CCc3cccnc3CC2)ccc1-c1cnn(C)c1 ZINC000865581337 1137296701 /nfs/dbraw/zinc/29/67/01/1137296701.db2.gz MRCIAYJHZLZLJC-KRWDZBQOSA-N 1 2 333.439 3.545 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000865665393 1137302945 /nfs/dbraw/zinc/30/29/45/1137302945.db2.gz XFZHWXGGEQROHZ-KRWDZBQOSA-N 1 2 340.858 3.932 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC000865729104 1137307257 /nfs/dbraw/zinc/30/72/57/1137307257.db2.gz DYSDTTDFZNTYJQ-UHFFFAOYSA-N 1 2 349.862 3.627 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@H](CC(C)C)C2)n1 ZINC000120750107 1137312602 /nfs/dbraw/zinc/31/26/02/1137312602.db2.gz KQOOTUMMZVLGRL-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@H](CC(C)C)C2)n1 ZINC000120750107 1137312603 /nfs/dbraw/zinc/31/26/03/1137312603.db2.gz KQOOTUMMZVLGRL-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000846116776 1137333653 /nfs/dbraw/zinc/33/36/53/1137333653.db2.gz HNWAXXCLPBAXED-GOEBONIOSA-N 1 2 349.475 3.818 20 0 EHADLO CCc1nc(C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)co1 ZINC000846170780 1137338020 /nfs/dbraw/zinc/33/80/20/1137338020.db2.gz ZYAJBZSYYFPBHN-CQSZACIVSA-N 1 2 334.416 3.504 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2scnc2c1 ZINC001144738956 1137341429 /nfs/dbraw/zinc/34/14/29/1137341429.db2.gz MRYGOJYJXWCBFM-HNNXBMFYSA-N 1 2 332.469 3.993 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2scnc2c1 ZINC001144738956 1137341430 /nfs/dbraw/zinc/34/14/30/1137341430.db2.gz MRYGOJYJXWCBFM-HNNXBMFYSA-N 1 2 332.469 3.993 20 0 EHADLO Cn1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c(-c2ccccc2)n1 ZINC000866335918 1137346780 /nfs/dbraw/zinc/34/67/80/1137346780.db2.gz MLUMRKDWRXIMKL-XLIONFOSSA-N 1 2 337.398 3.649 20 0 EHADLO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000866362577 1137349280 /nfs/dbraw/zinc/34/92/80/1137349280.db2.gz GDFFXDXLFKDOTR-JLTOFOAXSA-N 1 2 336.414 3.820 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)c1F ZINC000866389470 1137351019 /nfs/dbraw/zinc/35/10/19/1137351019.db2.gz GYURRVMARUBSTK-SECBINFHSA-N 1 2 335.766 3.875 20 0 EHADLO Cc1cc(NCCC2CCC3(CC2)OCCO3)cc(OC(F)F)[nH+]1 ZINC001171224408 1137351895 /nfs/dbraw/zinc/35/18/95/1137351895.db2.gz KNDMQWPMJAHOLS-UHFFFAOYSA-N 1 2 342.386 3.727 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001144833270 1137352598 /nfs/dbraw/zinc/35/25/98/1137352598.db2.gz NPSZWHNAMRHJAX-UZLBHIALSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001144833270 1137352600 /nfs/dbraw/zinc/35/26/00/1137352600.db2.gz NPSZWHNAMRHJAX-UZLBHIALSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866419415 1137352963 /nfs/dbraw/zinc/35/29/63/1137352963.db2.gz BWWAHCSVFGKSRZ-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866419415 1137352965 /nfs/dbraw/zinc/35/29/65/1137352965.db2.gz BWWAHCSVFGKSRZ-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)on1 ZINC000866516795 1137360728 /nfs/dbraw/zinc/36/07/28/1137360728.db2.gz VRYAXYNLXFGLNB-INIZCTEOSA-N 1 2 338.354 3.616 20 0 EHADLO Cc1ccc2[nH]c(-c3ccccc3NC(=O)[C@@H](C)n3cc[nH+]c3)nc2c1 ZINC001144934910 1137364044 /nfs/dbraw/zinc/36/40/44/1137364044.db2.gz UYYFRXDAMLDJBB-CQSZACIVSA-N 1 2 345.406 3.935 20 0 EHADLO Cc1ccc2nc(-c3ccccc3NC(=O)[C@@H](C)n3cc[nH+]c3)[nH]c2c1 ZINC001144934910 1137364046 /nfs/dbraw/zinc/36/40/46/1137364046.db2.gz UYYFRXDAMLDJBB-CQSZACIVSA-N 1 2 345.406 3.935 20 0 EHADLO COc1ccc([NH2+]C2CCN(c3ccccc3OC)CC2)c(OC)c1 ZINC000846748671 1137364292 /nfs/dbraw/zinc/36/42/92/1137364292.db2.gz VMTYGDBCFXDRJN-UHFFFAOYSA-N 1 2 342.439 3.793 20 0 EHADLO CC(C)(C)OC(=O)N=c1[nH]cc(CNc2cc3cc[nH]c3c[nH+]2)s1 ZINC000846777303 1137364984 /nfs/dbraw/zinc/36/49/84/1137364984.db2.gz NSTYUFNCBKNYHT-UHFFFAOYSA-N 1 2 345.428 3.979 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000866566947 1137365648 /nfs/dbraw/zinc/36/56/48/1137365648.db2.gz LLFFNRDGODMYLK-AWEZNQCLSA-N 1 2 333.382 3.894 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cscn1)c1cccc(Br)c1 ZINC000866596759 1137367935 /nfs/dbraw/zinc/36/79/35/1137367935.db2.gz JIUUJTLOXFJLCC-MFKMUULPSA-N 1 2 341.274 3.944 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cnc1Cl ZINC000846862252 1137369882 /nfs/dbraw/zinc/36/98/82/1137369882.db2.gz PTDMEXARCXPEAT-SFHVURJKSA-N 1 2 332.806 3.896 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cnc1Cl ZINC000846862252 1137369884 /nfs/dbraw/zinc/36/98/84/1137369884.db2.gz PTDMEXARCXPEAT-SFHVURJKSA-N 1 2 332.806 3.896 20 0 EHADLO CC(C)[C@@](C)([NH2+]Cc1cnsn1)c1ccc(Br)cc1 ZINC000846871327 1137370476 /nfs/dbraw/zinc/37/04/76/1137370476.db2.gz GUIOFAXNSNEIHI-CQSZACIVSA-N 1 2 340.290 3.962 20 0 EHADLO Clc1cccc2c1C[N@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000846901010 1137374945 /nfs/dbraw/zinc/37/49/45/1137374945.db2.gz SXIMGWAUMWYRLO-KRWDZBQOSA-N 1 2 328.843 3.561 20 0 EHADLO Clc1cccc2c1C[N@@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000846901010 1137374947 /nfs/dbraw/zinc/37/49/47/1137374947.db2.gz SXIMGWAUMWYRLO-KRWDZBQOSA-N 1 2 328.843 3.561 20 0 EHADLO Brc1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)ccn1 ZINC000846921658 1137375505 /nfs/dbraw/zinc/37/55/05/1137375505.db2.gz ABYJXDOAWVCXNI-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cc(C[N@H+]2CCC=C(c3ccccn3)C2)ccn1 ZINC000846921658 1137375507 /nfs/dbraw/zinc/37/55/07/1137375507.db2.gz ABYJXDOAWVCXNI-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000173562539 1137384557 /nfs/dbraw/zinc/38/45/57/1137384557.db2.gz KKMXFCHEHSISQA-IBGZPJMESA-N 1 2 334.423 3.578 20 0 EHADLO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1(F)F ZINC001171263918 1137386173 /nfs/dbraw/zinc/38/61/73/1137386173.db2.gz PMVKIQZKLNRZFA-NAZJXLNTSA-N 1 2 348.437 3.799 20 0 EHADLO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1(F)F ZINC001171263918 1137386174 /nfs/dbraw/zinc/38/61/74/1137386174.db2.gz PMVKIQZKLNRZFA-NAZJXLNTSA-N 1 2 348.437 3.799 20 0 EHADLO CC(C)C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000122151086 1137409053 /nfs/dbraw/zinc/40/90/53/1137409053.db2.gz OGZXANWFIUYIHC-GOSISDBHSA-N 1 2 325.456 3.768 20 0 EHADLO CC(C)C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000122151086 1137409054 /nfs/dbraw/zinc/40/90/54/1137409054.db2.gz OGZXANWFIUYIHC-GOSISDBHSA-N 1 2 325.456 3.768 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001148904256 1137437468 /nfs/dbraw/zinc/43/74/68/1137437468.db2.gz JVAIEXSUOAPMOX-AWEZNQCLSA-N 1 2 331.419 3.817 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001148904256 1137437469 /nfs/dbraw/zinc/43/74/69/1137437469.db2.gz JVAIEXSUOAPMOX-AWEZNQCLSA-N 1 2 331.419 3.817 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000348103426 1137440708 /nfs/dbraw/zinc/44/07/08/1137440708.db2.gz BPNRYWMUTCNXCV-SFHVURJKSA-N 1 2 328.481 3.913 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000348103426 1137440710 /nfs/dbraw/zinc/44/07/10/1137440710.db2.gz BPNRYWMUTCNXCV-SFHVURJKSA-N 1 2 328.481 3.913 20 0 EHADLO Cc1scc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1C ZINC000923607366 1137441672 /nfs/dbraw/zinc/44/16/72/1137441672.db2.gz VQVOEKCLXMJOGL-UHFFFAOYSA-N 1 2 344.484 3.546 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)n1 ZINC000348118423 1137442480 /nfs/dbraw/zinc/44/24/80/1137442480.db2.gz YQBFMRIEODOPEW-KDOFPFPSSA-N 1 2 343.496 3.678 20 0 EHADLO c1cc2cc(C[NH+]3CC(n4cc(-c5ccccc5)nn4)C3)ccc2o1 ZINC000348156923 1137446749 /nfs/dbraw/zinc/44/67/49/1137446749.db2.gz JPAXGDPSZKZEHZ-UHFFFAOYSA-N 1 2 330.391 3.748 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)s1 ZINC000282795417 1137452052 /nfs/dbraw/zinc/45/20/52/1137452052.db2.gz MMESEWVDENKLSW-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)s1 ZINC000282795417 1137452053 /nfs/dbraw/zinc/45/20/53/1137452053.db2.gz MMESEWVDENKLSW-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870120749 1137477872 /nfs/dbraw/zinc/47/78/72/1137477872.db2.gz GHTPRHNVRCTAKM-INIZCTEOSA-N 1 2 341.455 3.625 20 0 EHADLO O=C(Nc1nc(C2CCCCCC2)cs1)[C@H]1CCc2[nH+]ccn2C1 ZINC001171422004 1137478280 /nfs/dbraw/zinc/47/82/80/1137478280.db2.gz NVIXYUPBYWQESM-AWEZNQCLSA-N 1 2 344.484 3.979 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(=S)o1 ZINC000773265537 1137482712 /nfs/dbraw/zinc/48/27/12/1137482712.db2.gz SUAOFTSTAWSTKC-ZIAGYGMSSA-N 1 2 339.505 3.599 20 0 EHADLO CC(C)(C)c1nn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(=S)o1 ZINC000773265537 1137482713 /nfs/dbraw/zinc/48/27/13/1137482713.db2.gz SUAOFTSTAWSTKC-ZIAGYGMSSA-N 1 2 339.505 3.599 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000716399528 1137487165 /nfs/dbraw/zinc/48/71/65/1137487165.db2.gz RQZBLGGVYVICRC-UHFFFAOYSA-N 1 2 348.231 3.710 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000123091380 1137490711 /nfs/dbraw/zinc/49/07/11/1137490711.db2.gz WTFIVALQSAZFRZ-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NC2CCN(c3cccnc3)CC2)c1C ZINC001171468861 1137492585 /nfs/dbraw/zinc/49/25/85/1137492585.db2.gz HRYKMOJYOAPDEO-UHFFFAOYSA-N 1 2 339.487 3.867 20 0 EHADLO Cc1ccc(CC[C@H](C)[N@@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001171681833 1137503811 /nfs/dbraw/zinc/50/38/11/1137503811.db2.gz NCLDKNSDSQIFCB-KRWDZBQOSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1ccc(CC[C@H](C)[N@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001171681833 1137503812 /nfs/dbraw/zinc/50/38/12/1137503812.db2.gz NCLDKNSDSQIFCB-KRWDZBQOSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1ccc(CC[C@@H](C)[N@@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001171681834 1137503999 /nfs/dbraw/zinc/50/39/99/1137503999.db2.gz NCLDKNSDSQIFCB-QGZVFWFLSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1ccc(CC[C@@H](C)[N@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001171681834 1137504000 /nfs/dbraw/zinc/50/40/00/1137504000.db2.gz NCLDKNSDSQIFCB-QGZVFWFLSA-N 1 2 339.483 3.880 20 0 EHADLO C[N@H+](CC(=O)Oc1ccccc1-c1ccccc1)[C@@H]1CCSC1 ZINC000123313567 1137509692 /nfs/dbraw/zinc/50/96/92/1137509692.db2.gz WQINVKGOJLTGFF-MRXNPFEDSA-N 1 2 327.449 3.696 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccccc1-c1ccccc1)[C@@H]1CCSC1 ZINC000123313567 1137509694 /nfs/dbraw/zinc/50/96/94/1137509694.db2.gz WQINVKGOJLTGFF-MRXNPFEDSA-N 1 2 327.449 3.696 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(CC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000870807726 1137511100 /nfs/dbraw/zinc/51/11/00/1137511100.db2.gz ZVJJBMREDFYKCD-LBPRGKRZSA-N 1 2 326.318 3.682 20 0 EHADLO CCOC(=O)C1([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001171961137 1137519497 /nfs/dbraw/zinc/51/94/97/1137519497.db2.gz QMLWXFBPCBHTSP-GFCCVEGCSA-N 1 2 329.362 3.712 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001171974402 1137524596 /nfs/dbraw/zinc/52/45/96/1137524596.db2.gz TYLNBASEYOWHRK-ZWNOBZJWSA-N 1 2 341.295 3.900 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001171974402 1137524597 /nfs/dbraw/zinc/52/45/97/1137524597.db2.gz TYLNBASEYOWHRK-ZWNOBZJWSA-N 1 2 341.295 3.900 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1Cl)Cc1cccc(=O)n1C ZINC001248809305 1137531147 /nfs/dbraw/zinc/53/11/47/1137531147.db2.gz RVVKZMQKEOSBJJ-UHFFFAOYSA-N 1 2 325.239 3.714 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1Cl)Cc1cccc(=O)n1C ZINC001248809305 1137531149 /nfs/dbraw/zinc/53/11/49/1137531149.db2.gz RVVKZMQKEOSBJJ-UHFFFAOYSA-N 1 2 325.239 3.714 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@H](c1nnc(C)o1)c1ccccc1OC ZINC001172352145 1137553630 /nfs/dbraw/zinc/55/36/30/1137553630.db2.gz QCVGLMGPQNBOGP-DEYYWGMASA-N 1 2 347.459 3.659 20 0 EHADLO COc1c(C)c[nH+]c(CSCCCS(=O)(=O)C(C)(C)C)c1C ZINC000871700920 1137554629 /nfs/dbraw/zinc/55/46/29/1137554629.db2.gz SBWQPIKWPWGPKZ-UHFFFAOYSA-N 1 2 345.530 3.544 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000871869886 1137561514 /nfs/dbraw/zinc/56/15/14/1137561514.db2.gz BMFKQGNKTULXSI-ZJUUUORDSA-N 1 2 342.317 3.892 20 0 EHADLO CC[C@@H]([NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000872066924 1137569379 /nfs/dbraw/zinc/56/93/79/1137569379.db2.gz MJHNAXKQBXYHKN-AXVVYFOYSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(Br)nc1 ZINC000872114123 1137572029 /nfs/dbraw/zinc/57/20/29/1137572029.db2.gz VSYJZBPNBVIBEL-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO CCC[C@@H](OC)c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182363 1137575599 /nfs/dbraw/zinc/57/55/99/1137575599.db2.gz KISGOISQQRNSFQ-NEPJUHHUSA-N 1 2 329.322 3.624 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)c1 ZINC000124052321 1137578787 /nfs/dbraw/zinc/57/87/87/1137578787.db2.gz HKOKZDZVOBNXRM-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)c1 ZINC000124052321 1137578788 /nfs/dbraw/zinc/57/87/88/1137578788.db2.gz HKOKZDZVOBNXRM-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124183709 1137582491 /nfs/dbraw/zinc/58/24/91/1137582491.db2.gz MJDNDSYLABQDSL-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000872774125 1137584254 /nfs/dbraw/zinc/58/42/54/1137584254.db2.gz DIHOPVDCAAYLPR-CVEARBPZSA-N 1 2 339.443 3.505 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)(C)C ZINC000872818655 1137585020 /nfs/dbraw/zinc/58/50/20/1137585020.db2.gz NPUXELDVNFTSRD-LLVKDONJSA-N 1 2 345.409 3.711 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)(C)C ZINC000872818655 1137585021 /nfs/dbraw/zinc/58/50/21/1137585021.db2.gz NPUXELDVNFTSRD-LLVKDONJSA-N 1 2 345.409 3.711 20 0 EHADLO CCOc1cccc(F)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000873017913 1137588154 /nfs/dbraw/zinc/58/81/54/1137588154.db2.gz DUYOTMOBZLCASU-UHFFFAOYSA-N 1 2 344.430 3.798 20 0 EHADLO CCCOc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1OC ZINC000873167825 1137592106 /nfs/dbraw/zinc/59/21/06/1137592106.db2.gz PCLYOKYGKKCBSF-UHFFFAOYSA-N 1 2 326.849 3.884 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3ccnn3CC3CC3)no2)c(F)c1 ZINC000873175599 1137592477 /nfs/dbraw/zinc/59/24/77/1137592477.db2.gz MDYUETSJCIGCQV-UHFFFAOYSA-N 1 2 344.365 3.516 20 0 EHADLO CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(C)cc1 ZINC000873982089 1137608765 /nfs/dbraw/zinc/60/87/65/1137608765.db2.gz XZGBCVNGIBLFTO-CQSZACIVSA-N 1 2 325.334 3.738 20 0 EHADLO C[N@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@@H]1CCSC1 ZINC000125114545 1137620620 /nfs/dbraw/zinc/62/06/20/1137620620.db2.gz OOILSMUNRAWJLW-SNVBAGLBSA-N 1 2 329.441 3.962 20 0 EHADLO C[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@@H]1CCSC1 ZINC000125114545 1137620621 /nfs/dbraw/zinc/62/06/21/1137620621.db2.gz OOILSMUNRAWJLW-SNVBAGLBSA-N 1 2 329.441 3.962 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893920 1137625710 /nfs/dbraw/zinc/62/57/10/1137625710.db2.gz WYGFONYUPJMXDA-QGZVFWFLSA-N 1 2 346.471 3.691 20 0 EHADLO Fc1cccc(-c2ccnc(C3CC[NH+](Cc4cocn4)CC3)n2)c1 ZINC000828084017 1137634241 /nfs/dbraw/zinc/63/42/41/1137634241.db2.gz XWNJDJHVRVCUEA-UHFFFAOYSA-N 1 2 338.386 3.650 20 0 EHADLO CCc1ccc(Br)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000876481775 1137653552 /nfs/dbraw/zinc/65/35/52/1137653552.db2.gz CDUJFZPGWBMEOV-LLVKDONJSA-N 1 2 336.233 3.798 20 0 EHADLO CCC(=O)Nc1ccc(C)c(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000876817994 1137662608 /nfs/dbraw/zinc/66/26/08/1137662608.db2.gz JDQCVGPBEKQVQT-UHFFFAOYSA-N 1 2 327.428 3.976 20 0 EHADLO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ncc(Cl)s1)CC2 ZINC001137112765 1137663405 /nfs/dbraw/zinc/66/34/05/1137663405.db2.gz HWAXUUVPDXFDQB-ZDUSSCGKSA-N 1 2 342.892 3.742 20 0 EHADLO CC1(C)[N@H+](Cc2ncc(Cl)s2)CC[C@@]12C(=O)Oc1ccccc12 ZINC001137113306 1137663555 /nfs/dbraw/zinc/66/35/55/1137663555.db2.gz XTDYLHDWWBDPCG-QGZVFWFLSA-N 1 2 348.855 3.638 20 0 EHADLO CC1(C)[N@@H+](Cc2ncc(Cl)s2)CC[C@@]12C(=O)Oc1ccccc12 ZINC001137113306 1137663556 /nfs/dbraw/zinc/66/35/56/1137663556.db2.gz XTDYLHDWWBDPCG-QGZVFWFLSA-N 1 2 348.855 3.638 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(Cl)cs2)ccc1OC(F)F ZINC000876897068 1137664804 /nfs/dbraw/zinc/66/48/04/1137664804.db2.gz GHZRUTQFDRQWAC-UHFFFAOYSA-N 1 2 334.775 3.696 20 0 EHADLO Cc1cnn([C@H]2CC[N@H+](Cc3cccc(F)c3OC(F)(F)F)C2)c1 ZINC000877541567 1137680470 /nfs/dbraw/zinc/68/04/70/1137680470.db2.gz GRHBZYDHBILGCM-ZDUSSCGKSA-N 1 2 343.324 3.676 20 0 EHADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)(F)F)C2)c1 ZINC000877541567 1137680471 /nfs/dbraw/zinc/68/04/71/1137680471.db2.gz GRHBZYDHBILGCM-ZDUSSCGKSA-N 1 2 343.324 3.676 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)c1 ZINC000877699322 1137686294 /nfs/dbraw/zinc/68/62/94/1137686294.db2.gz GQXHMYUQFZHWIV-UHFFFAOYSA-N 1 2 344.194 3.671 20 0 EHADLO Cc1sccc1C[NH+]1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000877780109 1137689289 /nfs/dbraw/zinc/68/92/89/1137689289.db2.gz UMMUBVSUNJFAEZ-UHFFFAOYSA-N 1 2 349.521 3.803 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000877807381 1137690674 /nfs/dbraw/zinc/69/06/74/1137690674.db2.gz PWTALHJCVHUMJS-UHFFFAOYSA-N 1 2 331.725 3.909 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccn(C)n2)n1)Cc1ccc(OC)cc1 ZINC000877970690 1137697514 /nfs/dbraw/zinc/69/75/14/1137697514.db2.gz AWQVLCGFKCHTHE-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccn(C)n2)n1)Cc1ccc(OC)cc1 ZINC000877970690 1137697515 /nfs/dbraw/zinc/69/75/15/1137697515.db2.gz AWQVLCGFKCHTHE-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878013291 1137699540 /nfs/dbraw/zinc/69/95/40/1137699540.db2.gz BUHHOWZIFORMFS-RBBKRZOGSA-N 1 2 345.446 3.525 20 0 EHADLO O=C(CC[C@@H]1CCc2ccccc21)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000878056356 1137700974 /nfs/dbraw/zinc/70/09/74/1137700974.db2.gz RVCJEGYYRILFSL-IBGZPJMESA-N 1 2 349.478 3.808 20 0 EHADLO Cc1conc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000878185837 1137706292 /nfs/dbraw/zinc/70/62/92/1137706292.db2.gz LVCPCTVECYZAGB-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1conc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000878185837 1137706293 /nfs/dbraw/zinc/70/62/93/1137706293.db2.gz LVCPCTVECYZAGB-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1ncccc1Br ZINC000878237501 1137708253 /nfs/dbraw/zinc/70/82/53/1137708253.db2.gz ZUTMDUQOFBMBHW-UHFFFAOYSA-N 1 2 335.245 3.878 20 0 EHADLO C[C@@](O)(C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1)C(F)(F)F ZINC000878439697 1137716024 /nfs/dbraw/zinc/71/60/24/1137716024.db2.gz TZUOGTABIYKQFE-GFCCVEGCSA-N 1 2 345.283 3.824 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1ncccc1Br)c1ccccc1 ZINC000878520469 1137718797 /nfs/dbraw/zinc/71/87/97/1137718797.db2.gz INCVRETXZROCGD-MRXNPFEDSA-N 1 2 349.272 3.694 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3scnc3Cl)CC2)c1 ZINC000878538207 1137719378 /nfs/dbraw/zinc/71/93/78/1137719378.db2.gz VGNGUEFPPFFAPX-UHFFFAOYSA-N 1 2 336.888 3.675 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)N(C)c1ccc(C)cc1 ZINC000878613769 1137722341 /nfs/dbraw/zinc/72/23/41/1137722341.db2.gz WMINEQJNPUNRQQ-CXAGYDPISA-N 1 2 347.409 3.760 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804069 1137728770 /nfs/dbraw/zinc/72/87/70/1137728770.db2.gz OYXMDMJIAOMNEN-CVEARBPZSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804069 1137728771 /nfs/dbraw/zinc/72/87/71/1137728771.db2.gz OYXMDMJIAOMNEN-CVEARBPZSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2ccc3cc[nH]c3c2)c(N(C)C)[nH+]1 ZINC000879002227 1137734849 /nfs/dbraw/zinc/73/48/49/1137734849.db2.gz RVQQLCLQDKOXFL-UHFFFAOYSA-N 1 2 337.427 3.601 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000879152331 1137739599 /nfs/dbraw/zinc/73/95/99/1137739599.db2.gz NOYPUJJPZKVCDZ-QWHCGFSZSA-N 1 2 331.382 3.661 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244983 1137742298 /nfs/dbraw/zinc/74/22/98/1137742298.db2.gz VBRVQMFLICAPQA-SWLSCSKDSA-N 1 2 342.386 3.860 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244983 1137742299 /nfs/dbraw/zinc/74/22/99/1137742299.db2.gz VBRVQMFLICAPQA-SWLSCSKDSA-N 1 2 342.386 3.860 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499142 1137749309 /nfs/dbraw/zinc/74/93/09/1137749309.db2.gz KSPVPFZKHKSCPO-GOEBONIOSA-N 1 2 340.471 3.913 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499142 1137749310 /nfs/dbraw/zinc/74/93/10/1137749310.db2.gz KSPVPFZKHKSCPO-GOEBONIOSA-N 1 2 340.471 3.913 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)cc1F ZINC000626124340 1137750384 /nfs/dbraw/zinc/75/03/84/1137750384.db2.gz LJXCYXQREMEZJC-ZDUSSCGKSA-N 1 2 333.407 3.504 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)cc1F ZINC000626124340 1137750385 /nfs/dbraw/zinc/75/03/85/1137750385.db2.gz LJXCYXQREMEZJC-ZDUSSCGKSA-N 1 2 333.407 3.504 20 0 EHADLO Cc1ccc(Nc2nc(C[NH2+][C@@H](C)c3ccnn3C)cs2)cc1 ZINC000879683617 1137755269 /nfs/dbraw/zinc/75/52/69/1137755269.db2.gz BKXXZYXBRKCBRD-ZDUSSCGKSA-N 1 2 327.457 3.779 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CCCN(C(=O)CC(C)C)CC3)nc2c1 ZINC000879761494 1137758167 /nfs/dbraw/zinc/75/81/67/1137758167.db2.gz JHSVYIXWZHCFRN-UHFFFAOYSA-N 1 2 345.512 3.685 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CCCN(C(=O)CC(C)C)CC3)nc2c1 ZINC000879761494 1137758168 /nfs/dbraw/zinc/75/81/68/1137758168.db2.gz JHSVYIXWZHCFRN-UHFFFAOYSA-N 1 2 345.512 3.685 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999652 1137764100 /nfs/dbraw/zinc/76/41/00/1137764100.db2.gz GXAPNYGPGYETAN-QMTHXVAHSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999652 1137764101 /nfs/dbraw/zinc/76/41/01/1137764101.db2.gz GXAPNYGPGYETAN-QMTHXVAHSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000880001468 1137764344 /nfs/dbraw/zinc/76/43/44/1137764344.db2.gz PTUNWNYLGSSZPT-AWEZNQCLSA-N 1 2 347.287 3.789 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000880001468 1137764345 /nfs/dbraw/zinc/76/43/45/1137764345.db2.gz PTUNWNYLGSSZPT-AWEZNQCLSA-N 1 2 347.287 3.789 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000880009375 1137765286 /nfs/dbraw/zinc/76/52/86/1137765286.db2.gz MHQRMEFPZSNJFI-SECBINFHSA-N 1 2 333.404 3.916 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000880009375 1137765287 /nfs/dbraw/zinc/76/52/87/1137765287.db2.gz MHQRMEFPZSNJFI-SECBINFHSA-N 1 2 333.404 3.916 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880317188 1137774668 /nfs/dbraw/zinc/77/46/68/1137774668.db2.gz PTIWJZLKUQDFOT-NEPJUHHUSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880317188 1137774669 /nfs/dbraw/zinc/77/46/69/1137774669.db2.gz PTIWJZLKUQDFOT-NEPJUHHUSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000880375295 1137777069 /nfs/dbraw/zinc/77/70/69/1137777069.db2.gz CKAVBAJEEXIOLF-LLVKDONJSA-N 1 2 327.409 3.623 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000880375295 1137777070 /nfs/dbraw/zinc/77/70/70/1137777070.db2.gz CKAVBAJEEXIOLF-LLVKDONJSA-N 1 2 327.409 3.623 20 0 EHADLO CO[C@@H](C)c1nc(CN[C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569095 1137781314 /nfs/dbraw/zinc/78/13/14/1137781314.db2.gz IMPVXOPAFLYGJV-WMLDXEAASA-N 1 2 342.468 3.578 20 0 EHADLO Cc1nn(C[N@H+]2CCCC[C@@H]2CCC(C)C)c(=O)c2ccccc12 ZINC000128553712 1137783303 /nfs/dbraw/zinc/78/33/03/1137783303.db2.gz YEIZOHPAXNAXIR-QGZVFWFLSA-N 1 2 327.472 3.953 20 0 EHADLO Cc1nn(C[N@@H+]2CCCC[C@@H]2CCC(C)C)c(=O)c2ccccc12 ZINC000128553712 1137783304 /nfs/dbraw/zinc/78/33/04/1137783304.db2.gz YEIZOHPAXNAXIR-QGZVFWFLSA-N 1 2 327.472 3.953 20 0 EHADLO CC[C@@H](C(=O)N(CC1CCC1)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001137158620 1137785162 /nfs/dbraw/zinc/78/51/62/1137785162.db2.gz ARPPDGSNPFMDST-UXHICEINSA-N 1 2 344.499 3.709 20 0 EHADLO CC[C@@H](C(=O)N(CC1CCC1)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC001137158620 1137785163 /nfs/dbraw/zinc/78/51/63/1137785163.db2.gz ARPPDGSNPFMDST-UXHICEINSA-N 1 2 344.499 3.709 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCc3cc(F)cc(Br)c3C2)CO1 ZINC000626133774 1137785353 /nfs/dbraw/zinc/78/53/53/1137785353.db2.gz UDQNKXNGBHRFNL-GFCCVEGCSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCc3cc(F)cc(Br)c3C2)CO1 ZINC000626133774 1137785354 /nfs/dbraw/zinc/78/53/54/1137785354.db2.gz UDQNKXNGBHRFNL-GFCCVEGCSA-N 1 2 328.225 3.514 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128987350 1137806762 /nfs/dbraw/zinc/80/67/62/1137806762.db2.gz WHAHOMYNTHBUMI-GFCCVEGCSA-N 1 2 336.892 3.709 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128987350 1137806763 /nfs/dbraw/zinc/80/67/63/1137806763.db2.gz WHAHOMYNTHBUMI-GFCCVEGCSA-N 1 2 336.892 3.709 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2(C)C)cc1 ZINC000881660025 1137813228 /nfs/dbraw/zinc/81/32/28/1137813228.db2.gz JQZCQFSMEWQAPN-ZWKOTPCHSA-N 1 2 337.467 3.549 20 0 EHADLO Clc1ccc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)cn1 ZINC001137168709 1137815922 /nfs/dbraw/zinc/81/59/22/1137815922.db2.gz NWMNZGZPSIGGDG-UHFFFAOYSA-N 1 2 328.843 3.916 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000129273912 1137816189 /nfs/dbraw/zinc/81/61/89/1137816189.db2.gz WMADIHFHGJZWSY-MRXNPFEDSA-N 1 2 341.455 3.616 20 0 EHADLO FC(F)c1cc(Nc2ccc(NC3CCCC3)[nH+]c2)n2ncnc2n1 ZINC000881904233 1137817171 /nfs/dbraw/zinc/81/71/71/1137817171.db2.gz DTQQEIVAFHUOHL-UHFFFAOYSA-N 1 2 345.357 3.555 20 0 EHADLO CC(C)(C)c1nnc(NCc2c(Cl)cccc2-n2cc[nH+]c2)o1 ZINC000882404538 1137826388 /nfs/dbraw/zinc/82/63/88/1137826388.db2.gz BDKLEMDAAGMGQT-UHFFFAOYSA-N 1 2 331.807 3.818 20 0 EHADLO Cc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c(Cl)n1 ZINC000882881786 1137836554 /nfs/dbraw/zinc/83/65/54/1137836554.db2.gz DLGYRSRMNBUEIX-UHFFFAOYSA-N 1 2 330.823 3.550 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000130475406 1137837894 /nfs/dbraw/zinc/83/78/94/1137837894.db2.gz OJFCPHJHYHXLDW-UHFFFAOYSA-N 1 2 328.847 3.915 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000130475406 1137837895 /nfs/dbraw/zinc/83/78/95/1137837895.db2.gz OJFCPHJHYHXLDW-UHFFFAOYSA-N 1 2 328.847 3.915 20 0 EHADLO CC(C)Cc1nsc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883003595 1137841353 /nfs/dbraw/zinc/84/13/53/1137841353.db2.gz WPIWOLAMSMKMPW-HNNXBMFYSA-N 1 2 327.457 3.787 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC000883038467 1137842400 /nfs/dbraw/zinc/84/24/00/1137842400.db2.gz IYHCFFSGYAXHQR-KRWDZBQOSA-N 1 2 343.471 3.689 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1 ZINC000131277296 1137849688 /nfs/dbraw/zinc/84/96/88/1137849688.db2.gz PHCXXJPAHCJCGT-ZDUSSCGKSA-N 1 2 342.270 3.500 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1 ZINC000131277296 1137849689 /nfs/dbraw/zinc/84/96/89/1137849689.db2.gz PHCXXJPAHCJCGT-ZDUSSCGKSA-N 1 2 342.270 3.500 20 0 EHADLO CCSc1ccc(C[NH2+]Cc2csc(N(CC)C(C)=O)n2)cc1 ZINC000883236433 1137849947 /nfs/dbraw/zinc/84/99/47/1137849947.db2.gz AVKWBBNHOJDQTF-UHFFFAOYSA-N 1 2 349.525 3.918 20 0 EHADLO CCOc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1OC(F)F ZINC000883308503 1137853846 /nfs/dbraw/zinc/85/38/46/1137853846.db2.gz RBKMCJMDNHKIFY-UHFFFAOYSA-N 1 2 349.381 3.646 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ncccc1Br ZINC000883464512 1137861135 /nfs/dbraw/zinc/86/11/35/1137861135.db2.gz OYTMYMACPDQKDH-OAHLLOKOSA-N 1 2 332.245 3.879 20 0 EHADLO CN(CCC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000101606345 1137871045 /nfs/dbraw/zinc/87/10/45/1137871045.db2.gz QEAFCCSEJVCLML-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000626186574 1137873429 /nfs/dbraw/zinc/87/34/29/1137873429.db2.gz GOZCZWJDROGTED-UHFFFAOYSA-N 1 2 348.450 3.826 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)nc(N)c2c1C ZINC000348249997 1137878695 /nfs/dbraw/zinc/87/86/95/1137878695.db2.gz XYLDOVWATKVQLL-SCZZXKLOSA-N 1 2 344.406 3.663 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)nc(N)c2c1C ZINC000348249997 1137878696 /nfs/dbraw/zinc/87/86/96/1137878696.db2.gz XYLDOVWATKVQLL-SCZZXKLOSA-N 1 2 344.406 3.663 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000104970703 1137879708 /nfs/dbraw/zinc/87/97/08/1137879708.db2.gz VXPOVKUFXIKGSR-UHFFFAOYSA-N 1 2 326.444 3.966 20 0 EHADLO O=C(Nc1cccc(Br)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000105347216 1137880807 /nfs/dbraw/zinc/88/08/07/1137880807.db2.gz FKGUYLAIIIDVNA-UHFFFAOYSA-N 1 2 349.232 3.515 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106877612 1137884747 /nfs/dbraw/zinc/88/47/47/1137884747.db2.gz JDNPZBHHFYAJIT-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106877612 1137884748 /nfs/dbraw/zinc/88/47/48/1137884748.db2.gz JDNPZBHHFYAJIT-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875340 1137884896 /nfs/dbraw/zinc/88/48/96/1137884896.db2.gz OVIKXZCVRYPDEE-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875340 1137884897 /nfs/dbraw/zinc/88/48/97/1137884897.db2.gz OVIKXZCVRYPDEE-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397889 1137892960 /nfs/dbraw/zinc/89/29/60/1137892960.db2.gz GPCDAAKHZWLGDO-BXKDBHETSA-N 1 2 341.242 3.634 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397889 1137892961 /nfs/dbraw/zinc/89/29/61/1137892961.db2.gz GPCDAAKHZWLGDO-BXKDBHETSA-N 1 2 341.242 3.634 20 0 EHADLO O=S(=O)(/C=C/c1ccccc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000800039960 1137895408 /nfs/dbraw/zinc/89/54/08/1137895408.db2.gz VGLAUBDXFHWMBG-FMIVXFBMSA-N 1 2 343.383 3.628 20 0 EHADLO O=C(C(F)=C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103885 1137897808 /nfs/dbraw/zinc/89/78/08/1137897808.db2.gz RCUYMSFIIDVSPV-OAHLLOKOSA-N 1 2 331.435 3.723 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(C)n1C1CC1 ZINC000348287768 1137900334 /nfs/dbraw/zinc/90/03/34/1137900334.db2.gz WBHDRXDTHDLLIB-WFASDCNBSA-N 1 2 328.378 3.895 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(C)n1C1CC1 ZINC000348287768 1137900335 /nfs/dbraw/zinc/90/03/35/1137900335.db2.gz WBHDRXDTHDLLIB-WFASDCNBSA-N 1 2 328.378 3.895 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000111376157 1137904344 /nfs/dbraw/zinc/90/43/44/1137904344.db2.gz BMWQELDOCOLKSF-KFWWJZLASA-N 1 2 345.512 3.665 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(CC)c2ccccc2)cs1 ZINC000111376433 1137904360 /nfs/dbraw/zinc/90/43/60/1137904360.db2.gz IENBBCATUCUWAT-KBPBESRZSA-N 1 2 331.485 3.798 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000111376365 1137904368 /nfs/dbraw/zinc/90/43/68/1137904368.db2.gz WICNXYRLKJHKER-NEPJUHHUSA-N 1 2 335.448 3.831 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(CC)c2ccccc2)cs1 ZINC000111376437 1137904421 /nfs/dbraw/zinc/90/44/21/1137904421.db2.gz IENBBCATUCUWAT-UONOGXRCSA-N 1 2 331.485 3.798 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1OC ZINC000112531282 1137908425 /nfs/dbraw/zinc/90/84/25/1137908425.db2.gz FZDQVEGMAPPVPG-OLZOCXBDSA-N 1 2 333.432 3.977 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1OC ZINC000112531287 1137908465 /nfs/dbraw/zinc/90/84/65/1137908465.db2.gz FZDQVEGMAPPVPG-QWHCGFSZSA-N 1 2 333.432 3.977 20 0 EHADLO CCc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114805484 1137919017 /nfs/dbraw/zinc/91/90/17/1137919017.db2.gz CKYGZPNBOYGFBP-MRXNPFEDSA-N 1 2 338.455 3.555 20 0 EHADLO CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H](C)c1cccnc1 ZINC000115666557 1137922840 /nfs/dbraw/zinc/92/28/40/1137922840.db2.gz YMBDGSBTFKUYCZ-INIZCTEOSA-N 1 2 349.438 3.560 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)C(C)C ZINC000118840083 1137935839 /nfs/dbraw/zinc/93/58/39/1137935839.db2.gz OOYVCOHMFKCIRU-OAHLLOKOSA-N 1 2 328.441 3.988 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1nccs1 ZINC000118848366 1137935887 /nfs/dbraw/zinc/93/58/87/1137935887.db2.gz ZIHRLHIOBLTEIT-UHFFFAOYSA-N 1 2 344.267 3.913 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000120029640 1137946027 /nfs/dbraw/zinc/94/60/27/1137946027.db2.gz MTMLVMBZCBMHKM-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120337847 1137948702 /nfs/dbraw/zinc/94/87/02/1137948702.db2.gz NQNWZYQWNHPZPI-UHFFFAOYSA-N 1 2 342.830 3.804 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000348320945 1137950302 /nfs/dbraw/zinc/95/03/02/1137950302.db2.gz DVIFQLYNAWHIEX-IBGZPJMESA-N 1 2 340.492 3.860 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000348320945 1137950303 /nfs/dbraw/zinc/95/03/03/1137950303.db2.gz DVIFQLYNAWHIEX-IBGZPJMESA-N 1 2 340.492 3.860 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120944037 1137953890 /nfs/dbraw/zinc/95/38/90/1137953890.db2.gz GWKVFOYACGUVJY-KGLIPLIRSA-N 1 2 333.457 3.578 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120944037 1137953891 /nfs/dbraw/zinc/95/38/91/1137953891.db2.gz GWKVFOYACGUVJY-KGLIPLIRSA-N 1 2 333.457 3.578 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000121013850 1137954391 /nfs/dbraw/zinc/95/43/91/1137954391.db2.gz GVFUHOHZQUFAPC-SFHVURJKSA-N 1 2 334.485 3.520 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000121013850 1137954392 /nfs/dbraw/zinc/95/43/92/1137954392.db2.gz GVFUHOHZQUFAPC-SFHVURJKSA-N 1 2 334.485 3.520 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000333168828 1137957142 /nfs/dbraw/zinc/95/71/42/1137957142.db2.gz IXDPODCZVZLIMW-NVXWUHKLSA-N 1 2 329.444 3.572 20 0 EHADLO CCOCc1noc2c1C[N@H+](Cc1ccc3cc(C)ccc3n1)CC2 ZINC001137214583 1137975167 /nfs/dbraw/zinc/97/51/67/1137975167.db2.gz VOUMHHUCHNXZDR-UHFFFAOYSA-N 1 2 337.423 3.626 20 0 EHADLO CCOCc1noc2c1C[N@@H+](Cc1ccc3cc(C)ccc3n1)CC2 ZINC001137214583 1137975169 /nfs/dbraw/zinc/97/51/69/1137975169.db2.gz VOUMHHUCHNXZDR-UHFFFAOYSA-N 1 2 337.423 3.626 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000885232886 1137990111 /nfs/dbraw/zinc/99/01/11/1137990111.db2.gz UJOACHLEVKXSFT-QGZVFWFLSA-N 1 2 337.467 3.557 20 0 EHADLO COc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)c(C)c1OC ZINC000348362732 1138045456 /nfs/dbraw/zinc/04/54/56/1138045456.db2.gz ZFHSKTSBRUDKHP-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)c(C)c1OC ZINC000348362732 1138045457 /nfs/dbraw/zinc/04/54/57/1138045457.db2.gz ZFHSKTSBRUDKHP-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000886263788 1138062554 /nfs/dbraw/zinc/06/25/54/1138062554.db2.gz GRLCLEGVVGLVIV-UHFFFAOYSA-N 1 2 344.415 3.584 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)[C@@H](CO)c3ccccc3C)n2)cc1 ZINC000886431637 1138076298 /nfs/dbraw/zinc/07/62/98/1138076298.db2.gz CGVCOJPSPIMYJG-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)[C@@H](CO)c3ccccc3C)n2)cc1 ZINC000886431637 1138076301 /nfs/dbraw/zinc/07/63/01/1138076301.db2.gz CGVCOJPSPIMYJG-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714808 1138123916 /nfs/dbraw/zinc/12/39/16/1138123916.db2.gz VKAISDHEPUOYKA-RBZFPXEDSA-N 1 2 337.398 3.823 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000886730510 1138127812 /nfs/dbraw/zinc/12/78/12/1138127812.db2.gz FOVYZHHXBAJFJN-UHFFFAOYSA-N 1 2 344.480 3.974 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997413 1138129589 /nfs/dbraw/zinc/12/95/89/1138129589.db2.gz ORWAPMZEWPMKEQ-NSHDSACASA-N 1 2 332.341 3.735 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)C2CCCC2)n1 ZINC000886757507 1138133091 /nfs/dbraw/zinc/13/30/91/1138133091.db2.gz IZQKROUVSMIVAI-SFHVURJKSA-N 1 2 330.501 3.997 20 0 EHADLO CSCc1nnc(C[NH2+][C@H](c2ccccc2C)C2CCCC2)[nH]1 ZINC000886757507 1138133093 /nfs/dbraw/zinc/13/30/93/1138133093.db2.gz IZQKROUVSMIVAI-SFHVURJKSA-N 1 2 330.501 3.997 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000083214992 1138175335 /nfs/dbraw/zinc/17/53/35/1138175335.db2.gz QQPFJWIUIVZRHO-UHFFFAOYSA-N 1 2 334.441 3.644 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@H+](Cc3cnccc3Cl)C2)no1 ZINC001137236834 1138184454 /nfs/dbraw/zinc/18/44/54/1138184454.db2.gz QLOJUBXPEFBWGE-VIFPVBQESA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)no1 ZINC001137236834 1138184457 /nfs/dbraw/zinc/18/44/57/1138184457.db2.gz QLOJUBXPEFBWGE-VIFPVBQESA-N 1 2 346.740 3.516 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)o1 ZINC000091728170 1138221068 /nfs/dbraw/zinc/22/10/68/1138221068.db2.gz PGZGQTVRICUFNZ-SUMWQHHRSA-N 1 2 342.443 3.540 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1Cl)Cc1nccn1C(F)F ZINC000091731938 1138221434 /nfs/dbraw/zinc/22/14/34/1138221434.db2.gz DVLGXDDFBZAFQZ-UHFFFAOYSA-N 1 2 333.741 3.582 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1Cl)Cc1nccn1C(F)F ZINC000091731938 1138221436 /nfs/dbraw/zinc/22/14/36/1138221436.db2.gz DVLGXDDFBZAFQZ-UHFFFAOYSA-N 1 2 333.741 3.582 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)n1 ZINC000091835367 1138222337 /nfs/dbraw/zinc/22/23/37/1138222337.db2.gz PXZHKEWKETUVIP-UHFFFAOYSA-N 1 2 343.324 3.916 20 0 EHADLO Fc1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)ccc1Cl ZINC000093016437 1138233191 /nfs/dbraw/zinc/23/31/91/1138233191.db2.gz AQLHXPJEMAOQKT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1cc(C[N@H+]2CCCN(Cc3cscn3)CC2)ccc1Cl ZINC000093016437 1138233193 /nfs/dbraw/zinc/23/31/93/1138233193.db2.gz AQLHXPJEMAOQKT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000093364859 1138236794 /nfs/dbraw/zinc/23/67/94/1138236794.db2.gz AYSDHYKIIVBJIE-AWEZNQCLSA-N 1 2 338.908 3.910 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000093364859 1138236795 /nfs/dbraw/zinc/23/67/95/1138236795.db2.gz AYSDHYKIIVBJIE-AWEZNQCLSA-N 1 2 338.908 3.910 20 0 EHADLO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(C)ccc1OC ZINC000093397097 1138237183 /nfs/dbraw/zinc/23/71/83/1138237183.db2.gz XNPKFCDBMLBCFS-GOSISDBHSA-N 1 2 336.439 3.825 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(OC)cc3)n2)o1 ZINC000121741872 1138249425 /nfs/dbraw/zinc/24/94/25/1138249425.db2.gz ZEIFETIHFLZNLH-AWEZNQCLSA-N 1 2 325.412 3.887 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(OC)c2)s1 ZINC000122111295 1138254754 /nfs/dbraw/zinc/25/47/54/1138254754.db2.gz YNQCHMVUXYJRTK-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(OC)c2)s1 ZINC000122111295 1138254755 /nfs/dbraw/zinc/25/47/55/1138254755.db2.gz YNQCHMVUXYJRTK-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000122277260 1138256696 /nfs/dbraw/zinc/25/66/96/1138256696.db2.gz WSWCKSHIYNYJBJ-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000122277260 1138256698 /nfs/dbraw/zinc/25/66/98/1138256698.db2.gz WSWCKSHIYNYJBJ-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000122429710 1138258129 /nfs/dbraw/zinc/25/81/29/1138258129.db2.gz LYSRLTIZTZSSCY-INIZCTEOSA-N 1 2 349.434 3.930 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123458360 1138270414 /nfs/dbraw/zinc/27/04/14/1138270414.db2.gz VNGUHBNXWYJVEO-SUMWQHHRSA-N 1 2 337.423 3.969 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000124426862 1138286666 /nfs/dbraw/zinc/28/66/66/1138286666.db2.gz ABQGBODPKAZONL-UHFFFAOYSA-N 1 2 329.753 3.878 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124468517 1138287381 /nfs/dbraw/zinc/28/73/81/1138287381.db2.gz KVGDGVNWVURCSQ-ABAIWWIYSA-N 1 2 338.238 3.913 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124473995 1138287678 /nfs/dbraw/zinc/28/76/78/1138287678.db2.gz DEBHLCUYYAAETF-KRWDZBQOSA-N 1 2 348.450 3.615 20 0 EHADLO CC1(C)CCc2sc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)nc21 ZINC000333500361 1138297289 /nfs/dbraw/zinc/29/72/89/1138297289.db2.gz HRKCBXDZXYCZKX-NSHDSACASA-N 1 2 345.472 3.502 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1OC(F)F ZINC000125740373 1138315371 /nfs/dbraw/zinc/31/53/71/1138315371.db2.gz WTHUNEFZRQUTLK-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1OC(F)F ZINC000125740373 1138315372 /nfs/dbraw/zinc/31/53/72/1138315372.db2.gz WTHUNEFZRQUTLK-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333713190 1138323828 /nfs/dbraw/zinc/32/38/28/1138323828.db2.gz IQTYYSJIIRBEFT-SFHVURJKSA-N 1 2 345.487 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333713190 1138323831 /nfs/dbraw/zinc/32/38/31/1138323831.db2.gz IQTYYSJIIRBEFT-SFHVURJKSA-N 1 2 345.487 3.898 20 0 EHADLO CC(C)c1ncsc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000333746846 1138328006 /nfs/dbraw/zinc/32/80/06/1138328006.db2.gz YWIJXTBBXQHARZ-STQMWFEESA-N 1 2 333.461 3.578 20 0 EHADLO Cc1ccc(CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C(C)C)s1 ZINC000263779558 1138363808 /nfs/dbraw/zinc/36/38/08/1138363808.db2.gz PFDTZJVEMLNZFU-UHFFFAOYSA-N 1 2 346.500 3.710 20 0 EHADLO CCCc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128094028 1138380556 /nfs/dbraw/zinc/38/05/56/1138380556.db2.gz ZJFXUKHSLIVAOV-MAUKXSAKSA-N 1 2 326.444 3.951 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263938759 1138395266 /nfs/dbraw/zinc/39/52/66/1138395266.db2.gz IAAXCBBYHPPHHJ-HNNXBMFYSA-N 1 2 329.469 3.930 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263957592 1138398045 /nfs/dbraw/zinc/39/80/45/1138398045.db2.gz UIPDQBJAWKISJF-CQSZACIVSA-N 1 2 349.887 3.703 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)coc2c1C ZINC000263962705 1138398653 /nfs/dbraw/zinc/39/86/53/1138398653.db2.gz YJSWQGPPDJAOIK-HNNXBMFYSA-N 1 2 337.423 3.721 20 0 EHADLO C[C@@H]1CCCC[C@@]1(C)n1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531552 1138399266 /nfs/dbraw/zinc/39/92/66/1138399266.db2.gz UBHFECGHSIHVJG-CXAGYDPISA-N 1 2 342.472 3.572 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000128862984 1138399758 /nfs/dbraw/zinc/39/97/58/1138399758.db2.gz XPBFWZUSHZQITH-QWHCGFSZSA-N 1 2 334.407 3.840 20 0 EHADLO CCCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000336901806 1138424122 /nfs/dbraw/zinc/42/41/22/1138424122.db2.gz SXYPZZKGGIWYPL-UHFFFAOYSA-N 1 2 337.398 3.894 20 0 EHADLO COc1ccc(C2CC(Nc3cc(C)[nH+]c(C4CC4)n3)C2)cc1F ZINC000336912275 1138426200 /nfs/dbraw/zinc/42/62/00/1138426200.db2.gz YVMQIXXAPPZTGA-UHFFFAOYSA-N 1 2 327.403 3.590 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264185188 1138436880 /nfs/dbraw/zinc/43/68/80/1138436880.db2.gz KZSHZFNAYTVWPQ-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264185188 1138436882 /nfs/dbraw/zinc/43/68/82/1138436882.db2.gz KZSHZFNAYTVWPQ-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO CCCc1occc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000337004516 1138446142 /nfs/dbraw/zinc/44/61/42/1138446142.db2.gz XGEILJDKIJMUNX-WMZOPIPTSA-N 1 2 348.393 3.686 20 0 EHADLO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000337004516 1138446144 /nfs/dbraw/zinc/44/61/44/1138446144.db2.gz XGEILJDKIJMUNX-WMZOPIPTSA-N 1 2 348.393 3.686 20 0 EHADLO CCCc1occc1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000337031906 1138452366 /nfs/dbraw/zinc/45/23/66/1138452366.db2.gz ZANZOTPNYKWFBU-UHFFFAOYSA-N 1 2 346.496 3.814 20 0 EHADLO CCCc1occc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000337038539 1138453214 /nfs/dbraw/zinc/45/32/14/1138453214.db2.gz IYKVIRAZUHISFM-AWEZNQCLSA-N 1 2 332.469 3.813 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)CC2CCCC2)c1)[NH+]1CCOCC1 ZINC000264265114 1138458667 /nfs/dbraw/zinc/45/86/67/1138458667.db2.gz SQDIPYHVYVKTAM-INIZCTEOSA-N 1 2 345.487 3.734 20 0 EHADLO Cc1ccccc1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264312350 1138471490 /nfs/dbraw/zinc/47/14/90/1138471490.db2.gz ZDAROANOZKIKBD-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000130876722 1138481919 /nfs/dbraw/zinc/48/19/19/1138481919.db2.gz WWDMNQXWMAUCHD-OAHLLOKOSA-N 1 2 339.443 3.633 20 0 EHADLO Cc1nccn1CCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000130876722 1138481920 /nfs/dbraw/zinc/48/19/20/1138481920.db2.gz WWDMNQXWMAUCHD-OAHLLOKOSA-N 1 2 339.443 3.633 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000131000001 1138489250 /nfs/dbraw/zinc/48/92/50/1138489250.db2.gz POKQEFMAUSJFEY-DOTOQJQBSA-N 1 2 330.472 3.592 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000337192449 1138491601 /nfs/dbraw/zinc/49/16/01/1138491601.db2.gz UALRVAPJSCVKAA-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000337192449 1138491602 /nfs/dbraw/zinc/49/16/02/1138491602.db2.gz UALRVAPJSCVKAA-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000131768648 1138540522 /nfs/dbraw/zinc/54/05/22/1138540522.db2.gz MYZKLTZYYAKUEH-BRWVUGGUSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC000264609183 1138575062 /nfs/dbraw/zinc/57/50/62/1138575062.db2.gz IUBFQBSBUQMCPI-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC000264609183 1138575063 /nfs/dbraw/zinc/57/50/63/1138575063.db2.gz IUBFQBSBUQMCPI-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000337490723 1138585317 /nfs/dbraw/zinc/58/53/17/1138585317.db2.gz DWEHQKAIORFMRP-SUIFULHWSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000337490723 1138585318 /nfs/dbraw/zinc/58/53/18/1138585318.db2.gz DWEHQKAIORFMRP-SUIFULHWSA-N 1 2 336.361 3.777 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cnn(C2CCCC2)c1 ZINC000337521876 1138593843 /nfs/dbraw/zinc/59/38/43/1138593843.db2.gz PRTULHKOERNHLB-GFCCVEGCSA-N 1 2 341.381 3.608 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1CCC(C)(C)CC1 ZINC000337599750 1138617211 /nfs/dbraw/zinc/61/72/11/1138617211.db2.gz CNAOMTIMHYAMNL-UHFFFAOYSA-N 1 2 345.487 3.772 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337652209 1138634283 /nfs/dbraw/zinc/63/42/83/1138634283.db2.gz LTKFKXICWGTDGH-YVWKXTFCSA-N 1 2 349.478 3.544 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000337684957 1138642836 /nfs/dbraw/zinc/64/28/36/1138642836.db2.gz PJFXJYUTQAXUFB-OXJNMPFZSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000337684957 1138642837 /nfs/dbraw/zinc/64/28/37/1138642837.db2.gz PJFXJYUTQAXUFB-OXJNMPFZSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000264819974 1138649018 /nfs/dbraw/zinc/64/90/18/1138649018.db2.gz CREUYDHRLQLENJ-AEFFLSMTSA-N 1 2 338.455 3.758 20 0 EHADLO O=C(NCCc1ccccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338189615 1138780785 /nfs/dbraw/zinc/78/07/85/1138780785.db2.gz BIBSYVXVXYSBSQ-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000338291782 1138819583 /nfs/dbraw/zinc/81/95/83/1138819583.db2.gz NJWUIXNCJRXWNH-CYBMUJFWSA-N 1 2 347.459 3.908 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCOCC2(CCC2)C1 ZINC000338291782 1138819589 /nfs/dbraw/zinc/81/95/89/1138819589.db2.gz NJWUIXNCJRXWNH-CYBMUJFWSA-N 1 2 347.459 3.908 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)cn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338378907 1138872003 /nfs/dbraw/zinc/87/20/03/1138872003.db2.gz WBPYSRAKBWGLAV-HNNXBMFYSA-N 1 2 341.455 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)cn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338378907 1138872014 /nfs/dbraw/zinc/87/20/14/1138872014.db2.gz WBPYSRAKBWGLAV-HNNXBMFYSA-N 1 2 341.455 3.603 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000338393577 1138885817 /nfs/dbraw/zinc/88/58/17/1138885817.db2.gz BEHNNBJDYVWLKC-UHFFFAOYSA-N 1 2 331.847 3.723 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2sc(C)nc2C)nc1C ZINC000348492780 1138943440 /nfs/dbraw/zinc/94/34/40/1138943440.db2.gz MATHTSIHVQQRCN-SNVBAGLBSA-N 1 2 339.486 3.552 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000338502898 1138944982 /nfs/dbraw/zinc/94/49/82/1138944982.db2.gz QEHWXXSXZVJXNE-HOTGVXAUSA-N 1 2 341.455 3.504 20 0 EHADLO C[C@H](CCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151602756 1139046754 /nfs/dbraw/zinc/04/67/54/1139046754.db2.gz GEDKIFQXIJVTAY-ZHALLVOQSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1cccnc1 ZINC000152468367 1139093601 /nfs/dbraw/zinc/09/36/01/1139093601.db2.gz TZDROTBMSJSKKJ-CXAGYDPISA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1cccnc1 ZINC000152468367 1139093607 /nfs/dbraw/zinc/09/36/07/1139093607.db2.gz TZDROTBMSJSKKJ-CXAGYDPISA-N 1 2 347.256 3.806 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000152888822 1139112472 /nfs/dbraw/zinc/11/24/72/1139112472.db2.gz AZYPNJKZUVEONK-OXJNMPFZSA-N 1 2 348.450 3.829 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000153590917 1139143552 /nfs/dbraw/zinc/14/35/52/1139143552.db2.gz BBFNYYBZCNOFSM-LSDHHAIUSA-N 1 2 346.500 3.515 20 0 EHADLO CCCCc1nc(C)c(CC(=O)Nc2cccc3[nH+]ccn32)s1 ZINC000889225191 1139179745 /nfs/dbraw/zinc/17/97/45/1139179745.db2.gz KKJAJYAIEXPIGQ-UHFFFAOYSA-N 1 2 328.441 3.623 20 0 EHADLO Cc1[nH]c(CNC(=O)CCOc2ccccc2-c2ccccc2)[nH+]c1C ZINC001137260310 1139302960 /nfs/dbraw/zinc/30/29/60/1139302960.db2.gz DRTGMNAOUTURCL-UHFFFAOYSA-N 1 2 349.434 3.779 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000826680154 1139311939 /nfs/dbraw/zinc/31/19/39/1139311939.db2.gz DLVOJUUEMDWZJR-OAGGEKHMSA-N 1 2 340.389 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000826680154 1139311947 /nfs/dbraw/zinc/31/19/47/1139311947.db2.gz DLVOJUUEMDWZJR-OAGGEKHMSA-N 1 2 340.389 3.658 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251407 1139330366 /nfs/dbraw/zinc/33/03/66/1139330366.db2.gz VUFNJKNZOODZFS-LJQANCHMSA-N 1 2 340.471 3.845 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(Cl)cc2c[nH]nc21)n1cc[nH+]c1 ZINC000890494813 1139367180 /nfs/dbraw/zinc/36/71/80/1139367180.db2.gz MNMXIHWDJZBDNF-AWEZNQCLSA-N 1 2 331.807 3.639 20 0 EHADLO CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000174993666 1139455714 /nfs/dbraw/zinc/45/57/14/1139455714.db2.gz VMVNPHIRBPFBPM-INIZCTEOSA-N 1 2 329.469 3.509 20 0 EHADLO CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000174993666 1139455717 /nfs/dbraw/zinc/45/57/17/1139455717.db2.gz VMVNPHIRBPFBPM-INIZCTEOSA-N 1 2 329.469 3.509 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000176806070 1139579645 /nfs/dbraw/zinc/57/96/45/1139579645.db2.gz LYGAZQZRASIFCW-INIZCTEOSA-N 1 2 329.893 3.690 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000176806070 1139579648 /nfs/dbraw/zinc/57/96/48/1139579648.db2.gz LYGAZQZRASIFCW-INIZCTEOSA-N 1 2 329.893 3.690 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000178510109 1139700437 /nfs/dbraw/zinc/70/04/37/1139700437.db2.gz BGCNZVJTHNMWSR-MRXNPFEDSA-N 1 2 344.365 3.690 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000178510109 1139700439 /nfs/dbraw/zinc/70/04/39/1139700439.db2.gz BGCNZVJTHNMWSR-MRXNPFEDSA-N 1 2 344.365 3.690 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000178507808 1139700588 /nfs/dbraw/zinc/70/05/88/1139700588.db2.gz TUPUCTAMMYBXLZ-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000178507808 1139700592 /nfs/dbraw/zinc/70/05/92/1139700592.db2.gz TUPUCTAMMYBXLZ-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504553 1139762329 /nfs/dbraw/zinc/76/23/29/1139762329.db2.gz HULAJJXGAQCFHD-CQSZACIVSA-N 1 2 348.397 3.663 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504553 1139762332 /nfs/dbraw/zinc/76/23/32/1139762332.db2.gz HULAJJXGAQCFHD-CQSZACIVSA-N 1 2 348.397 3.663 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cccc(O)c3)n2)cc1 ZINC000181533445 1139913149 /nfs/dbraw/zinc/91/31/49/1139913149.db2.gz KKRQYLLHJPDKEW-STQMWFEESA-N 1 2 339.395 3.863 20 0 EHADLO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc(F)c3F)nc(=O)c2c1C ZINC000181996188 1139943918 /nfs/dbraw/zinc/94/39/18/1139943918.db2.gz PKTIPCGFKVNAQM-VIFPVBQESA-N 1 2 349.406 3.730 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000182388853 1139969612 /nfs/dbraw/zinc/96/96/12/1139969612.db2.gz CTLPOIGKGPGBII-INIZCTEOSA-N 1 2 344.436 3.625 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404074 1139970021 /nfs/dbraw/zinc/97/00/21/1139970021.db2.gz XAGLQAXHJAYEGZ-UKRRQHHQSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404074 1139970023 /nfs/dbraw/zinc/97/00/23/1139970023.db2.gz XAGLQAXHJAYEGZ-UKRRQHHQSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H](CC(=O)Nc1cccnc1Cl)Nc1ccc([NH+](C)C)cc1 ZINC000182493568 1139975962 /nfs/dbraw/zinc/97/59/62/1139975962.db2.gz GDKMLUCWDZTAEQ-GFCCVEGCSA-N 1 2 332.835 3.630 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000183022926 1140008054 /nfs/dbraw/zinc/00/80/54/1140008054.db2.gz SQGPZXPJDSCDIJ-UWVGGRQHSA-N 1 2 345.321 3.526 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cnn1C ZINC000183318953 1140030062 /nfs/dbraw/zinc/03/00/62/1140030062.db2.gz XFCIHPGAPHXMFY-LBPRGKRZSA-N 1 2 327.457 3.779 20 0 EHADLO CC[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCO1 ZINC000183593941 1140048215 /nfs/dbraw/zinc/04/82/15/1140048215.db2.gz ZEJQACWHMVTZJD-JSGCOSHPSA-N 1 2 333.819 3.669 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000183623987 1140050368 /nfs/dbraw/zinc/05/03/68/1140050368.db2.gz VCEHOANRGYJSHQ-LJQANCHMSA-N 1 2 340.471 3.846 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2c(C)oc3ccccc32)cs1 ZINC000183914861 1140065421 /nfs/dbraw/zinc/06/54/21/1140065421.db2.gz WFHMSYAOEJHWDO-UHFFFAOYSA-N 1 2 343.452 3.860 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccco1 ZINC000184517301 1140106810 /nfs/dbraw/zinc/10/68/10/1140106810.db2.gz BLFCDWCFCIHUNL-ZDUSSCGKSA-N 1 2 328.181 3.659 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccco1 ZINC000184516577 1140106985 /nfs/dbraw/zinc/10/69/85/1140106985.db2.gz LRZAEHRWWMWSIM-ZDUSSCGKSA-N 1 2 344.636 3.909 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cs1 ZINC000184732598 1140118148 /nfs/dbraw/zinc/11/81/48/1140118148.db2.gz BCTFCYRPDCTHNQ-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)o1 ZINC000184839580 1140122397 /nfs/dbraw/zinc/12/23/97/1140122397.db2.gz PIHJGBHIPCNGKA-RDJZCZTQSA-N 1 2 344.455 3.763 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984944 1140129791 /nfs/dbraw/zinc/12/97/91/1140129791.db2.gz WCMGHJHFGVTISX-GFCCVEGCSA-N 1 2 330.819 3.922 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984944 1140129794 /nfs/dbraw/zinc/12/97/94/1140129794.db2.gz WCMGHJHFGVTISX-GFCCVEGCSA-N 1 2 330.819 3.922 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](C)c1ncc(C)s1)[C@@H](C)c1ccc(F)cc1 ZINC000184994166 1140130620 /nfs/dbraw/zinc/13/06/20/1140130620.db2.gz RYKUVMXIWNCJQK-KGLIPLIRSA-N 1 2 349.475 3.851 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185297268 1140143947 /nfs/dbraw/zinc/14/39/47/1140143947.db2.gz FYHXXCIGRUDNKZ-QGZVFWFLSA-N 1 2 330.476 3.546 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC12CCCCC2 ZINC000357456408 1140164036 /nfs/dbraw/zinc/16/40/36/1140164036.db2.gz UGMOXRDBOYXRAC-HNNXBMFYSA-N 1 2 327.403 3.598 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cnn(C(C)C)c1 ZINC000185747245 1140167957 /nfs/dbraw/zinc/16/79/57/1140167957.db2.gz LSNNPRRQJPNNKO-UHFFFAOYSA-N 1 2 341.459 3.852 20 0 EHADLO C[C@@H](CNC(=O)CC1(CSc2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000185811902 1140171589 /nfs/dbraw/zinc/17/15/89/1140171589.db2.gz KSTPKQYEFQWCOH-INIZCTEOSA-N 1 2 343.496 3.598 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777422722 1140198345 /nfs/dbraw/zinc/19/83/45/1140198345.db2.gz TYNWDRZRXNJILZ-LSDHHAIUSA-N 1 2 344.833 3.867 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777422722 1140198349 /nfs/dbraw/zinc/19/83/49/1140198349.db2.gz TYNWDRZRXNJILZ-LSDHHAIUSA-N 1 2 344.833 3.867 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@@H]3CCCc4ccccc43)n2)cc1 ZINC000186428784 1140203343 /nfs/dbraw/zinc/20/33/43/1140203343.db2.gz NWDJILZUEDAPSZ-GOSISDBHSA-N 1 2 334.423 3.551 20 0 EHADLO c1csc([C@H]2CSCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000186649258 1140215345 /nfs/dbraw/zinc/21/53/45/1140215345.db2.gz FCVNIHKPKBHQMH-OAHLLOKOSA-N 1 2 327.478 3.981 20 0 EHADLO c1csc([C@H]2CSCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000186649258 1140215350 /nfs/dbraw/zinc/21/53/50/1140215350.db2.gz FCVNIHKPKBHQMH-OAHLLOKOSA-N 1 2 327.478 3.981 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)OCCO2 ZINC000186819347 1140222695 /nfs/dbraw/zinc/22/26/95/1140222695.db2.gz WUMBEYXEAUVQLO-CYBMUJFWSA-N 1 2 346.427 3.612 20 0 EHADLO FC(F)C(F)(F)COCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000188550813 1140301030 /nfs/dbraw/zinc/30/10/30/1140301030.db2.gz DMBHHQSZUGLTPZ-UHFFFAOYSA-N 1 2 335.297 3.792 20 0 EHADLO Fc1cc(Cl)ccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000188996913 1140316828 /nfs/dbraw/zinc/31/68/28/1140316828.db2.gz JJWYITRINSYYOX-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1cc(Cl)ccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000188996913 1140316832 /nfs/dbraw/zinc/31/68/32/1140316832.db2.gz JJWYITRINSYYOX-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc(OC)c1OC ZINC000189938843 1140373147 /nfs/dbraw/zinc/37/31/47/1140373147.db2.gz ATOIAZQTFUPNOQ-OAHLLOKOSA-N 1 2 348.468 3.814 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc(OC)c1OC ZINC000189938843 1140373153 /nfs/dbraw/zinc/37/31/53/1140373153.db2.gz ATOIAZQTFUPNOQ-OAHLLOKOSA-N 1 2 348.468 3.814 20 0 EHADLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148459 1140389746 /nfs/dbraw/zinc/38/97/46/1140389746.db2.gz KODFHFJBZJLZJE-OCCSQVGLSA-N 1 2 335.473 3.699 20 0 EHADLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148459 1140389755 /nfs/dbraw/zinc/38/97/55/1140389755.db2.gz KODFHFJBZJLZJE-OCCSQVGLSA-N 1 2 335.473 3.699 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000190435158 1140403605 /nfs/dbraw/zinc/40/36/05/1140403605.db2.gz KMHMYCLRBIJJKT-UHFFFAOYSA-N 1 2 342.443 3.592 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)c2ccccn2)cc1 ZINC000191078255 1140434811 /nfs/dbraw/zinc/43/48/11/1140434811.db2.gz CYUHLFCRGGDQMU-FQEVSTJZSA-N 1 2 349.482 3.810 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cn1 ZINC000191165617 1140441309 /nfs/dbraw/zinc/44/13/09/1140441309.db2.gz IJYASRDUSJMWQW-UHFFFAOYSA-N 1 2 344.406 3.691 20 0 EHADLO COc1cccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000191403680 1140461415 /nfs/dbraw/zinc/46/14/15/1140461415.db2.gz BRTMXDKSLGPSEZ-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC)cc1C ZINC000191885162 1140490724 /nfs/dbraw/zinc/49/07/24/1140490724.db2.gz ODSQOFUVRZPQDB-UHFFFAOYSA-N 1 2 344.459 3.707 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](SC)c1ccccc1 ZINC000192246158 1140514325 /nfs/dbraw/zinc/51/43/25/1140514325.db2.gz UVLDJWPLQBTNCR-SFHVURJKSA-N 1 2 345.512 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(CC)s1 ZINC000192251685 1140514731 /nfs/dbraw/zinc/51/47/31/1140514731.db2.gz CIRKPPKPCJRDDC-UHFFFAOYSA-N 1 2 333.501 3.930 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccc(Cl)cc1 ZINC000193679973 1140582745 /nfs/dbraw/zinc/58/27/45/1140582745.db2.gz QAEPEIHNRHZTOL-CQSZACIVSA-N 1 2 328.243 3.513 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000266321686 1140668271 /nfs/dbraw/zinc/66/82/71/1140668271.db2.gz WSFYOFDGPHJLCO-YBJDMEARSA-N 1 2 344.484 3.583 20 0 EHADLO CCC(CC)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000266560628 1140701993 /nfs/dbraw/zinc/70/19/93/1140701993.db2.gz MSCZEKONJJSLGM-UHFFFAOYSA-N 1 2 325.456 3.805 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cs1 ZINC000267064957 1140755557 /nfs/dbraw/zinc/75/55/57/1140755557.db2.gz ULKNEDCCHGCRKV-KSSFIOAISA-N 1 2 346.496 3.796 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000267206394 1140767639 /nfs/dbraw/zinc/76/76/39/1140767639.db2.gz RLHRGAZIDWGTLO-INIZCTEOSA-N 1 2 328.460 3.509 20 0 EHADLO Fc1cc(Br)cc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267451704 1140793399 /nfs/dbraw/zinc/79/33/99/1140793399.db2.gz ROJIVLFIERRDGV-LBPRGKRZSA-N 1 2 338.224 3.691 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cs1 ZINC000267630872 1140814147 /nfs/dbraw/zinc/81/41/47/1140814147.db2.gz NTYRHQRVDDLCKS-NSHDSACASA-N 1 2 342.411 3.784 20 0 EHADLO CC[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000267693386 1140820707 /nfs/dbraw/zinc/82/07/07/1140820707.db2.gz FAOOVDGAHSNCPJ-WFASDCNBSA-N 1 2 339.361 3.600 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000267938846 1140851970 /nfs/dbraw/zinc/85/19/70/1140851970.db2.gz AWJLASDRMAYKPN-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO CC(C)OCc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268369274 1140928602 /nfs/dbraw/zinc/92/86/02/1140928602.db2.gz JRMPLJIABZLFJO-QFBILLFUSA-N 1 2 341.455 3.531 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000268520486 1140951116 /nfs/dbraw/zinc/95/11/16/1140951116.db2.gz GBSJLBBVZGRSPV-IBGZPJMESA-N 1 2 334.423 3.593 20 0 EHADLO Cc1ccc(Br)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268571667 1140956902 /nfs/dbraw/zinc/95/69/02/1140956902.db2.gz CCDDLAQEWJMGFT-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1noc(CCC[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000268643080 1140966503 /nfs/dbraw/zinc/96/65/03/1140966503.db2.gz HURSLSADAMYOQU-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO Cc1noc(CCC[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000268643080 1140966506 /nfs/dbraw/zinc/96/65/06/1140966506.db2.gz HURSLSADAMYOQU-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268855136 1141010117 /nfs/dbraw/zinc/01/01/17/1141010117.db2.gz QNMGQBDUJOGVEF-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000268855136 1141010123 /nfs/dbraw/zinc/01/01/23/1141010123.db2.gz QNMGQBDUJOGVEF-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO CC(C)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000268965556 1141036454 /nfs/dbraw/zinc/03/64/54/1141036454.db2.gz KVNYYWJNNHUDQJ-QGZVFWFLSA-N 1 2 348.878 3.965 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H](c2ccsc2)O1 ZINC000269009681 1141045875 /nfs/dbraw/zinc/04/58/75/1141045875.db2.gz MIJOZJPIKKWEPC-ABAIWWIYSA-N 1 2 331.466 3.715 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H](c2ccsc2)O1 ZINC000269009681 1141045884 /nfs/dbraw/zinc/04/58/84/1141045884.db2.gz MIJOZJPIKKWEPC-ABAIWWIYSA-N 1 2 331.466 3.715 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269033998 1141051292 /nfs/dbraw/zinc/05/12/92/1141051292.db2.gz UFJLMJBSVJZICD-JTQLQIEISA-N 1 2 341.308 3.587 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cs1 ZINC000269130687 1141070129 /nfs/dbraw/zinc/07/01/29/1141070129.db2.gz ZLEAKXGWFYOIDJ-ABAIWWIYSA-N 1 2 336.432 3.993 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCCC2=CCCC2)c1)[NH+]1CCOCC1 ZINC000269827522 1141148401 /nfs/dbraw/zinc/14/84/01/1141148401.db2.gz BXNHCARGMYHKNG-INIZCTEOSA-N 1 2 343.471 3.702 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000270330906 1141208097 /nfs/dbraw/zinc/20/80/97/1141208097.db2.gz SLZXUNFLZDDSOQ-GOSISDBHSA-N 1 2 342.439 3.753 20 0 EHADLO CC1(C)[C@@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[C@@H]21 ZINC000270337407 1141209094 /nfs/dbraw/zinc/20/90/94/1141209094.db2.gz NCCKKOJUVQKVCW-CALCHBBNSA-N 1 2 348.450 3.722 20 0 EHADLO CC(C)n1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000270500500 1141232882 /nfs/dbraw/zinc/23/28/82/1141232882.db2.gz QKYDHASBEBVUOZ-UHFFFAOYSA-N 1 2 347.422 3.632 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000270876424 1141278068 /nfs/dbraw/zinc/27/80/68/1141278068.db2.gz CVDRVVZOKANEQW-ZACQAIPSSA-N 1 2 345.487 3.590 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271210152 1141325617 /nfs/dbraw/zinc/32/56/17/1141325617.db2.gz UIOIJXBSKATPRS-NSHDSACASA-N 1 2 349.529 3.928 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271210152 1141325624 /nfs/dbraw/zinc/32/56/24/1141325624.db2.gz UIOIJXBSKATPRS-NSHDSACASA-N 1 2 349.529 3.928 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000271497111 1141380833 /nfs/dbraw/zinc/38/08/33/1141380833.db2.gz COHIMBAOWASXLM-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cncc(Br)c1 ZINC000271497111 1141380839 /nfs/dbraw/zinc/38/08/39/1141380839.db2.gz COHIMBAOWASXLM-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ncc(Br)s1 ZINC000271565048 1141398385 /nfs/dbraw/zinc/39/83/85/1141398385.db2.gz YJFXTDKREOYNSG-JTQLQIEISA-N 1 2 340.290 3.822 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(OC)c3)n2)cc1 ZINC000271608030 1141406013 /nfs/dbraw/zinc/40/60/13/1141406013.db2.gz AXJTZEPERCSVQX-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)NCCNc1cccc[nH+]1 ZINC000274083051 1141471929 /nfs/dbraw/zinc/47/19/29/1141471929.db2.gz LZEXIDIMXJRGDY-UHFFFAOYSA-N 1 2 335.860 3.689 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3nc(-c4ccccc4)oc3C)ccc2[nH+]1 ZINC000339127080 1141503853 /nfs/dbraw/zinc/50/38/53/1141503853.db2.gz WINZMMMMGPXKGL-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](CCOC)Cc1cncs1 ZINC000339139243 1141508132 /nfs/dbraw/zinc/50/81/32/1141508132.db2.gz WKAPGVOXVXNHMJ-UHFFFAOYSA-N 1 2 333.501 3.873 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](CCOC)Cc1cncs1 ZINC000339139243 1141508136 /nfs/dbraw/zinc/50/81/36/1141508136.db2.gz WKAPGVOXVXNHMJ-UHFFFAOYSA-N 1 2 333.501 3.873 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCc1c[nH+]cn1C)CCC2 ZINC000339164420 1141515370 /nfs/dbraw/zinc/51/53/70/1141515370.db2.gz MWOIVJTYYGUWDD-IBGZPJMESA-N 1 2 325.456 3.670 20 0 EHADLO Cc1cncc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000274440421 1141529320 /nfs/dbraw/zinc/52/93/20/1141529320.db2.gz XHDUVVIOGFCJFU-OWCLPIDISA-N 1 2 326.444 3.572 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000283289991 1141586551 /nfs/dbraw/zinc/58/65/51/1141586551.db2.gz XWOPYHQFZDMKEG-ZDUSSCGKSA-N 1 2 346.450 3.812 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842503 1141594183 /nfs/dbraw/zinc/59/41/83/1141594183.db2.gz IQKHXHPWRMWHHX-XQQFMLRXSA-N 1 2 342.405 3.714 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842503 1141594188 /nfs/dbraw/zinc/59/41/88/1141594188.db2.gz IQKHXHPWRMWHHX-XQQFMLRXSA-N 1 2 342.405 3.714 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(Cl)c1 ZINC000348865722 1141599341 /nfs/dbraw/zinc/59/93/41/1141599341.db2.gz IRTNWHXORMHIIP-OAHLLOKOSA-N 1 2 334.851 3.533 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1cnc2cnccn12)Cc1cccnc1 ZINC000349061810 1141631298 /nfs/dbraw/zinc/63/12/98/1141631298.db2.gz KIQZOILRPOYLJY-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1cnc2cnccn12)Cc1cccnc1 ZINC000349061810 1141631302 /nfs/dbraw/zinc/63/13/02/1141631302.db2.gz KIQZOILRPOYLJY-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083665 1141636262 /nfs/dbraw/zinc/63/62/62/1141636262.db2.gz YOJGDEMWJOXIHC-BQTXGFLSSA-N 1 2 344.409 3.853 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083665 1141636264 /nfs/dbraw/zinc/63/62/64/1141636264.db2.gz YOJGDEMWJOXIHC-BQTXGFLSSA-N 1 2 344.409 3.853 20 0 EHADLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2[nH+]1 ZINC000098068703 219077348 /nfs/dbraw/zinc/07/73/48/219077348.db2.gz RNEKPMFFSYSHGC-UHFFFAOYSA-N 1 2 347.415 3.800 20 0 EHADLO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)cn1 ZINC000071797168 202353929 /nfs/dbraw/zinc/35/39/29/202353929.db2.gz QTQLDWROAYUJME-OAHLLOKOSA-N 1 2 330.482 3.942 20 0 EHADLO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)cn1 ZINC000071797168 202353931 /nfs/dbraw/zinc/35/39/31/202353931.db2.gz QTQLDWROAYUJME-OAHLLOKOSA-N 1 2 330.482 3.942 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000054362369 201131774 /nfs/dbraw/zinc/13/17/74/201131774.db2.gz OKXYGPQNKULJKK-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000054362369 201131778 /nfs/dbraw/zinc/13/17/78/201131778.db2.gz OKXYGPQNKULJKK-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000023387420 212374821 /nfs/dbraw/zinc/37/48/21/212374821.db2.gz KVWUKPQTLMWAOH-IBGZPJMESA-N 1 2 336.435 3.649 20 0 EHADLO Oc1c(Br)cc(C[NH2+]C2CCCC2)cc1Br ZINC000076276343 203345288 /nfs/dbraw/zinc/34/52/88/203345288.db2.gz HGXPWIZPWYRPKY-UHFFFAOYSA-N 1 2 349.066 3.949 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[C@@H]3C)c2)cc[nH+]1 ZINC000536092960 478241334 /nfs/dbraw/zinc/24/13/34/478241334.db2.gz COUJOBVUMPLNRA-KSSFIOAISA-N 1 2 338.455 3.563 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286070116 563643066 /nfs/dbraw/zinc/64/30/66/563643066.db2.gz CVNCDOQUTPKOFZ-JKSUJKDBSA-N 1 2 346.431 3.507 20 0 EHADLO CCc1noc(C)c1C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286070116 563643071 /nfs/dbraw/zinc/64/30/71/563643071.db2.gz CVNCDOQUTPKOFZ-JKSUJKDBSA-N 1 2 346.431 3.507 20 0 EHADLO CC[N@H+](C/C(Cl)=C\Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169702 606100343 /nfs/dbraw/zinc/10/03/43/606100343.db2.gz BCMVAKIYHKMIGW-SEEODLKFSA-N 1 2 326.231 3.569 20 0 EHADLO CC[N@@H+](C/C(Cl)=C\Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169702 606100345 /nfs/dbraw/zinc/10/03/45/606100345.db2.gz BCMVAKIYHKMIGW-SEEODLKFSA-N 1 2 326.231 3.569 20 0 EHADLO Cc1nnc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)s1 ZINC000377154569 1017372155 /nfs/dbraw/zinc/37/21/55/1017372155.db2.gz ZSYZVYJMDWKYMG-UHFFFAOYSA-N 1 2 325.840 3.961 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000620148678 1125485833 /nfs/dbraw/zinc/48/58/33/1125485833.db2.gz GSQPPJCCEFVOFP-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000620148678 1125485836 /nfs/dbraw/zinc/48/58/36/1125485836.db2.gz GSQPPJCCEFVOFP-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c(C)c[nH+]1 ZINC000683079599 1014203715 /nfs/dbraw/zinc/20/37/15/1014203715.db2.gz SCJTUDIUIYQGDM-AWEZNQCLSA-N 1 2 341.308 3.685 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC(C)C)C3CC3)cn2c1 ZINC000042768462 1014206891 /nfs/dbraw/zinc/20/68/91/1014206891.db2.gz NEVLPGRBJYYSFZ-UHFFFAOYSA-N 1 2 345.512 3.913 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000579708074 1014239607 /nfs/dbraw/zinc/23/96/07/1014239607.db2.gz LVLMJHLFWGFYAJ-SFHVURJKSA-N 1 2 333.439 3.555 20 0 EHADLO Cc1cccc(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000579708074 1014239618 /nfs/dbraw/zinc/23/96/18/1014239618.db2.gz LVLMJHLFWGFYAJ-SFHVURJKSA-N 1 2 333.439 3.555 20 0 EHADLO COCC[N@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000343727144 1032087205 /nfs/dbraw/zinc/08/72/05/1032087205.db2.gz FUIMXMLUIBWNBK-AWEZNQCLSA-N 1 2 341.377 3.655 20 0 EHADLO COCC[N@@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000343727144 1032087222 /nfs/dbraw/zinc/08/72/22/1032087222.db2.gz FUIMXMLUIBWNBK-AWEZNQCLSA-N 1 2 341.377 3.655 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(CSC)s1)CCO2 ZINC000339357379 1014277628 /nfs/dbraw/zinc/27/76/28/1014277628.db2.gz KZSFZEJSUTYSJR-AWEZNQCLSA-N 1 2 336.482 3.628 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000339363978 1014282045 /nfs/dbraw/zinc/28/20/45/1014282045.db2.gz UUUGNCWBZGWDQT-IBGZPJMESA-N 1 2 343.377 3.586 20 0 EHADLO C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001592445075 978108004 /nfs/dbraw/zinc/10/80/04/978108004.db2.gz JCEIRGMNKABMSD-PKOBYXMFSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001592445075 978108008 /nfs/dbraw/zinc/10/80/08/978108008.db2.gz JCEIRGMNKABMSD-PKOBYXMFSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000510047165 1014473889 /nfs/dbraw/zinc/47/38/89/1014473889.db2.gz FENFQHAWRREYKW-JTDSTZFVSA-N 1 2 325.456 3.734 20 0 EHADLO Clc1cc(Br)cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683140967 1014486986 /nfs/dbraw/zinc/48/69/86/1014486986.db2.gz FRHFECDYULFOAN-NSHDSACASA-N 1 2 341.640 3.536 20 0 EHADLO FC(F)(F)[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000339457533 1014519952 /nfs/dbraw/zinc/51/99/52/1014519952.db2.gz XSFISSZGZNMSQO-CYBMUJFWSA-N 1 2 338.358 3.722 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339469337 1014532675 /nfs/dbraw/zinc/53/26/75/1014532675.db2.gz JNTICNCWDMAIPG-JQHSSLGASA-N 1 2 325.456 3.566 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000339470235 1014544482 /nfs/dbraw/zinc/54/44/82/1014544482.db2.gz QOMCMXHDJMKGQQ-KXBFYZLASA-N 1 2 333.435 3.693 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3)c2C1 ZINC000016025464 1014564263 /nfs/dbraw/zinc/56/42/63/1014564263.db2.gz YPLIDTMVKOZAEV-UHFFFAOYSA-N 1 2 345.446 3.543 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3)c2C1 ZINC000016025464 1014564268 /nfs/dbraw/zinc/56/42/68/1014564268.db2.gz YPLIDTMVKOZAEV-UHFFFAOYSA-N 1 2 345.446 3.543 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@@H](C)C(C)C ZINC000182416926 1032096497 /nfs/dbraw/zinc/09/64/97/1032096497.db2.gz GYTUGUNBEWNCFD-AWEZNQCLSA-N 1 2 346.500 3.965 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@@H](C)C(C)C ZINC000182416926 1032096509 /nfs/dbraw/zinc/09/65/09/1032096509.db2.gz GYTUGUNBEWNCFD-AWEZNQCLSA-N 1 2 346.500 3.965 20 0 EHADLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547643351 1014629119 /nfs/dbraw/zinc/62/91/19/1014629119.db2.gz BGQVHLSWYYYQFB-ZDUSSCGKSA-N 1 2 334.803 3.631 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547643351 1014629128 /nfs/dbraw/zinc/62/91/28/1014629128.db2.gz BGQVHLSWYYYQFB-ZDUSSCGKSA-N 1 2 334.803 3.631 20 0 EHADLO CCN(Cc1ccccn1)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339514119 1014631309 /nfs/dbraw/zinc/63/13/09/1014631309.db2.gz IFUFQWURBSAXPH-UHFFFAOYSA-N 1 2 345.874 3.606 20 0 EHADLO CCN(Cc1ccccn1)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339514119 1014631317 /nfs/dbraw/zinc/63/13/17/1014631317.db2.gz IFUFQWURBSAXPH-UHFFFAOYSA-N 1 2 345.874 3.606 20 0 EHADLO Cc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(Cl)c1 ZINC000683174822 1014753449 /nfs/dbraw/zinc/75/34/49/1014753449.db2.gz LOJXDTIWNGVBFW-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000650107201 1014856497 /nfs/dbraw/zinc/85/64/97/1014856497.db2.gz MQSBJIGJQYARIM-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000650107201 1014856509 /nfs/dbraw/zinc/85/65/09/1014856509.db2.gz MQSBJIGJQYARIM-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000536671348 1032104300 /nfs/dbraw/zinc/10/43/00/1032104300.db2.gz DCQAACDOZIALFU-NRFANRHFSA-N 1 2 333.435 3.824 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000536671348 1032104307 /nfs/dbraw/zinc/10/43/07/1032104307.db2.gz DCQAACDOZIALFU-NRFANRHFSA-N 1 2 333.435 3.824 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504658 1032104722 /nfs/dbraw/zinc/10/47/22/1032104722.db2.gz IURZQGVENAJBCD-ZIAGYGMSSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504658 1032104727 /nfs/dbraw/zinc/10/47/27/1032104727.db2.gz IURZQGVENAJBCD-ZIAGYGMSSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000655070184 1014919593 /nfs/dbraw/zinc/91/95/93/1014919593.db2.gz DABQTNJGKUHYCJ-GFCCVEGCSA-N 1 2 349.837 3.820 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000655070184 1014919604 /nfs/dbraw/zinc/91/96/04/1014919604.db2.gz DABQTNJGKUHYCJ-GFCCVEGCSA-N 1 2 349.837 3.820 20 0 EHADLO C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C ZINC001625798086 1014952657 /nfs/dbraw/zinc/95/26/57/1014952657.db2.gz UDTFQANDRFOZCJ-LGMDPLHJSA-N 1 2 331.419 3.900 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCC[C@H]3C3CCC3)c2=S)cc1C ZINC000728198731 1014948041 /nfs/dbraw/zinc/94/80/41/1014948041.db2.gz DRVLYBBNCDXNBY-KRWDZBQOSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCC[C@H]3C3CCC3)c2=S)cc1C ZINC000728198731 1014948049 /nfs/dbraw/zinc/94/80/49/1014948049.db2.gz DRVLYBBNCDXNBY-KRWDZBQOSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000153439077 1125490521 /nfs/dbraw/zinc/49/05/21/1125490521.db2.gz DZRXANCJJSLNEE-GJZGRUSLSA-N 1 2 342.439 3.758 20 0 EHADLO CC[C@@H](OCCNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC000655164652 1015189717 /nfs/dbraw/zinc/18/97/17/1015189717.db2.gz SOUUKVAJRCWQDB-GOSISDBHSA-N 1 2 337.423 3.540 20 0 EHADLO c1ccc([C@@H]2c3ccccc3CC[N@H+]2Cc2nnc3n2CCCC3)cc1 ZINC000339608509 1015225297 /nfs/dbraw/zinc/22/52/97/1015225297.db2.gz OBYWNZSCJANRHX-JOCHJYFZSA-N 1 2 344.462 3.762 20 0 EHADLO c1ccc([C@@H]2c3ccccc3CC[N@@H+]2Cc2nnc3n2CCCC3)cc1 ZINC000339608509 1015225305 /nfs/dbraw/zinc/22/53/05/1015225305.db2.gz OBYWNZSCJANRHX-JOCHJYFZSA-N 1 2 344.462 3.762 20 0 EHADLO CS(=O)(=O)CCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000343734564 1032113967 /nfs/dbraw/zinc/11/39/67/1032113967.db2.gz LYRYHDPGAFDLJD-HNNXBMFYSA-N 1 2 349.418 3.667 20 0 EHADLO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000343734564 1032113961 /nfs/dbraw/zinc/11/39/61/1032113961.db2.gz LYRYHDPGAFDLJD-HNNXBMFYSA-N 1 2 349.418 3.667 20 0 EHADLO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000343734580 1032114064 /nfs/dbraw/zinc/11/40/64/1032114064.db2.gz LYRYHDPGAFDLJD-OAHLLOKOSA-N 1 2 349.418 3.667 20 0 EHADLO CS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000343734580 1032114072 /nfs/dbraw/zinc/11/40/72/1032114072.db2.gz LYRYHDPGAFDLJD-OAHLLOKOSA-N 1 2 349.418 3.667 20 0 EHADLO C[C@H]1C[C@H](CC(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000066610597 1015389921 /nfs/dbraw/zinc/38/99/21/1015389921.db2.gz MYYLKKUDIPDMFO-JKSUJKDBSA-N 1 2 331.504 3.731 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@H](C)CC2)c(=S)o1 ZINC000748084916 1015403959 /nfs/dbraw/zinc/40/39/59/1015403959.db2.gz ZANPVYRRUGRTPD-ZDUSSCGKSA-N 1 2 333.457 3.961 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@H](C)CC2)c(=S)o1 ZINC000748084916 1015403967 /nfs/dbraw/zinc/40/39/67/1015403967.db2.gz ZANPVYRRUGRTPD-ZDUSSCGKSA-N 1 2 333.457 3.961 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+](C)CCC(F)(F)F)n2)cc1 ZINC000153488121 1125503830 /nfs/dbraw/zinc/50/38/30/1125503830.db2.gz QMWGGKMPZAFULT-JTQLQIEISA-N 1 2 329.322 3.690 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)CCC(F)(F)F)n2)cc1 ZINC000153488121 1125503833 /nfs/dbraw/zinc/50/38/33/1125503833.db2.gz QMWGGKMPZAFULT-JTQLQIEISA-N 1 2 329.322 3.690 20 0 EHADLO O=C(NCCc1ccc(Cl)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339636015 1015441068 /nfs/dbraw/zinc/44/10/68/1015441068.db2.gz KSYUVSVAAJFYLM-UHFFFAOYSA-N 1 2 345.855 3.619 20 0 EHADLO CC[N@H+](C/C=C\c1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179559439 1015442213 /nfs/dbraw/zinc/44/22/13/1015442213.db2.gz DDIINKJHGUIKOA-WAYWQWQTSA-N 1 2 337.398 3.598 20 0 EHADLO CC[N@@H+](C/C=C\c1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179559439 1015442216 /nfs/dbraw/zinc/44/22/16/1015442216.db2.gz DDIINKJHGUIKOA-WAYWQWQTSA-N 1 2 337.398 3.598 20 0 EHADLO COc1ccc(Cl)cc1NCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000339684882 1015515446 /nfs/dbraw/zinc/51/54/46/1015515446.db2.gz YDBQPWDJYPFNBB-UHFFFAOYSA-N 1 2 344.802 3.584 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001590603158 990264872 /nfs/dbraw/zinc/26/48/72/990264872.db2.gz RDKTXSGWNOLFJH-CYBMUJFWSA-N 1 2 347.484 3.777 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001590603158 990264879 /nfs/dbraw/zinc/26/48/79/990264879.db2.gz RDKTXSGWNOLFJH-CYBMUJFWSA-N 1 2 347.484 3.777 20 0 EHADLO COCC[C@@H]([NH2+]Cc1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000285042324 1015558036 /nfs/dbraw/zinc/55/80/36/1015558036.db2.gz KYHXVBFMAURPNJ-CYBMUJFWSA-N 1 2 332.256 3.712 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C ZINC000660719202 1015570129 /nfs/dbraw/zinc/57/01/29/1015570129.db2.gz DDPDTQMCYXZVRW-QMTHXVAHSA-N 1 2 347.684 3.744 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C ZINC000660719202 1015570138 /nfs/dbraw/zinc/57/01/38/1015570138.db2.gz DDPDTQMCYXZVRW-QMTHXVAHSA-N 1 2 347.684 3.744 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204432785 1015583302 /nfs/dbraw/zinc/58/33/02/1015583302.db2.gz RLSBWVXBLLLOLE-AWEZNQCLSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204432785 1015583310 /nfs/dbraw/zinc/58/33/10/1015583310.db2.gz RLSBWVXBLLLOLE-AWEZNQCLSA-N 1 2 331.334 3.503 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047049 1032120458 /nfs/dbraw/zinc/12/04/58/1032120458.db2.gz MQAJNNCJBMDHFW-OWJWWREXSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047049 1032120469 /nfs/dbraw/zinc/12/04/69/1032120469.db2.gz MQAJNNCJBMDHFW-OWJWWREXSA-N 1 2 345.512 3.929 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339786925 1015670605 /nfs/dbraw/zinc/67/06/05/1015670605.db2.gz MSEYNUCAOFDIBB-ZDUSSCGKSA-N 1 2 344.455 3.933 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339786925 1015670608 /nfs/dbraw/zinc/67/06/08/1015670608.db2.gz MSEYNUCAOFDIBB-ZDUSSCGKSA-N 1 2 344.455 3.933 20 0 EHADLO COCC[C@H](c1ccccc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339802868 1015682757 /nfs/dbraw/zinc/68/27/57/1015682757.db2.gz GUOYSPLITMECRR-HXUWFJFHSA-N 1 2 333.435 3.966 20 0 EHADLO COCC[C@H](c1ccccc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339802868 1015682760 /nfs/dbraw/zinc/68/27/60/1015682760.db2.gz GUOYSPLITMECRR-HXUWFJFHSA-N 1 2 333.435 3.966 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649289 1015692707 /nfs/dbraw/zinc/69/27/07/1015692707.db2.gz PARWOIIRFSROHP-VQIMIIECSA-N 1 2 325.456 3.560 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649289 1015692712 /nfs/dbraw/zinc/69/27/12/1015692712.db2.gz PARWOIIRFSROHP-VQIMIIECSA-N 1 2 325.456 3.560 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339832268 1015721294 /nfs/dbraw/zinc/72/12/94/1015721294.db2.gz XGOIRUVHVIXJEF-GFCCVEGCSA-N 1 2 349.356 3.756 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339832268 1015721303 /nfs/dbraw/zinc/72/13/03/1015721303.db2.gz XGOIRUVHVIXJEF-GFCCVEGCSA-N 1 2 349.356 3.756 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3ncccc3c2)no1 ZINC000274999057 1015730206 /nfs/dbraw/zinc/73/02/06/1015730206.db2.gz NFBFCVSIFDFLHG-UHFFFAOYSA-N 1 2 325.412 3.828 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000088250985 1015761088 /nfs/dbraw/zinc/76/10/88/1015761088.db2.gz WCCCABNRTBULOU-IBGZPJMESA-N 1 2 329.419 3.850 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000045571984 1015771651 /nfs/dbraw/zinc/77/16/51/1015771651.db2.gz OUSLGCQLNKSKKL-KRWDZBQOSA-N 1 2 344.846 3.597 20 0 EHADLO CC(C)n1ncc(C(=O)OCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000784953429 1015843641 /nfs/dbraw/zinc/84/36/41/1015843641.db2.gz HYTJCKSOZHIERU-UHFFFAOYSA-N 1 2 338.411 3.575 20 0 EHADLO CC(C)(C(=O)N1CCC(c2c[nH]c3ccccc32)CC1)c1c[nH+]c[nH]1 ZINC000547756696 1015850704 /nfs/dbraw/zinc/85/07/04/1015850704.db2.gz DLVDWGJWXILAAX-UHFFFAOYSA-N 1 2 336.439 3.575 20 0 EHADLO Cc1cc(C[N@H+]2CCN(C)c3ncccc3C2)cc(C(F)(F)F)c1 ZINC001143454248 1032129994 /nfs/dbraw/zinc/12/99/94/1032129994.db2.gz DYUWAXZJQSQCFX-UHFFFAOYSA-N 1 2 335.373 3.861 20 0 EHADLO Cc1cc(C[N@@H+]2CCN(C)c3ncccc3C2)cc(C(F)(F)F)c1 ZINC001143454248 1032130001 /nfs/dbraw/zinc/13/00/01/1032130001.db2.gz DYUWAXZJQSQCFX-UHFFFAOYSA-N 1 2 335.373 3.861 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045708830 1015914228 /nfs/dbraw/zinc/91/42/28/1015914228.db2.gz BSDUOUDILCHNLK-HNNXBMFYSA-N 1 2 337.398 3.904 20 0 EHADLO COc1cc(Br)c(C[NH+]2CC3(C2)CCCC3)cc1OC ZINC000362309214 1015922436 /nfs/dbraw/zinc/92/24/36/1015922436.db2.gz OYFMVUCIKFGIIF-UHFFFAOYSA-N 1 2 340.261 3.842 20 0 EHADLO COc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC000625206845 1015926289 /nfs/dbraw/zinc/92/62/89/1015926289.db2.gz VYTSBQQLVCAUEL-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180760334 1016039348 /nfs/dbraw/zinc/03/93/48/1016039348.db2.gz LHKASZVFAIFTCR-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO COCc1cccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)c1 ZINC000533538612 1016091220 /nfs/dbraw/zinc/09/12/20/1016091220.db2.gz VFECJAWESQFDKP-UHFFFAOYSA-N 1 2 329.444 3.864 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(NCC3CC3)[nH+]cn1)CCCO2 ZINC000340026473 1016134426 /nfs/dbraw/zinc/13/44/26/1016134426.db2.gz BCYIEKOWQFDTIM-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(NCC3CC3)nc[nH+]1)CCCO2 ZINC000340026473 1016134433 /nfs/dbraw/zinc/13/44/33/1016134433.db2.gz BCYIEKOWQFDTIM-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)F)cc1 ZINC000047514484 1016145499 /nfs/dbraw/zinc/14/54/99/1016145499.db2.gz FZKILENTAPIOMY-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC001204439588 1016184760 /nfs/dbraw/zinc/18/47/60/1016184760.db2.gz ZQPHQGHYJCZQTC-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC001204439588 1016184770 /nfs/dbraw/zinc/18/47/70/1016184770.db2.gz ZQPHQGHYJCZQTC-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO Cc1nc2cc(Cl)ccc2c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167126173 1016209806 /nfs/dbraw/zinc/20/98/06/1016209806.db2.gz RECRUANMAJBZHJ-UHFFFAOYSA-N 1 2 327.819 3.630 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccco3)n2)CC1 ZINC000022292369 1016327227 /nfs/dbraw/zinc/32/72/27/1016327227.db2.gz JWRIZEIIBAWRQQ-UHFFFAOYSA-N 1 2 333.457 3.539 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3cc4ccccc4c(Cl)n3)CC2)on1 ZINC000022977690 1016373890 /nfs/dbraw/zinc/37/38/90/1016373890.db2.gz NMZHNDMHLNDDGE-UHFFFAOYSA-N 1 2 342.830 3.507 20 0 EHADLO C[NH+](C)[C@H](c1nc(COc2ccc(Cl)cc2)no1)c1ccccc1 ZINC000579888656 1016414805 /nfs/dbraw/zinc/41/48/05/1016414805.db2.gz HZGCETBIZPOJEJ-KRWDZBQOSA-N 1 2 343.814 3.953 20 0 EHADLO COc1cccc(C2([NH2+]Cc3ccn(-c4ccc(F)cc4)n3)CC2)c1 ZINC000510209077 1016437262 /nfs/dbraw/zinc/43/72/62/1016437262.db2.gz OZHBGSQHEHULNV-UHFFFAOYSA-N 1 2 337.398 3.799 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080563615 1032148683 /nfs/dbraw/zinc/14/86/83/1032148683.db2.gz GGJZMDKYYIORFI-SFHVURJKSA-N 1 2 326.444 3.518 20 0 EHADLO Cc1nc(N2CCC3(C[C@H](F)CO3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001167210034 1016592644 /nfs/dbraw/zinc/59/26/44/1016592644.db2.gz KBJWMKJXACVKCA-INIZCTEOSA-N 1 2 333.451 3.930 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3cc(C(F)F)ncn3)CC2)cc1 ZINC000892680993 1016594671 /nfs/dbraw/zinc/59/46/71/1016594671.db2.gz CRRUXXMIOLFWJB-UHFFFAOYSA-N 1 2 347.413 3.561 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C)[nH]1 ZINC000340189206 1016653107 /nfs/dbraw/zinc/65/31/07/1016653107.db2.gz XDHMGXWCOJTEAG-MRXNPFEDSA-N 1 2 332.831 3.621 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C)[nH]1 ZINC000340189206 1016653114 /nfs/dbraw/zinc/65/31/14/1016653114.db2.gz XDHMGXWCOJTEAG-MRXNPFEDSA-N 1 2 332.831 3.621 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC000178437705 1016662803 /nfs/dbraw/zinc/66/28/03/1016662803.db2.gz SLZZPYQVKUKHJE-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000340194907 1016667800 /nfs/dbraw/zinc/66/78/00/1016667800.db2.gz PLNLKDQLNZRGEV-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO Brc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)nc1 ZINC000418132493 1040626146 /nfs/dbraw/zinc/62/61/46/1040626146.db2.gz ZAWKMCDFPVHAFT-CQSZACIVSA-N 1 2 327.291 3.562 20 0 EHADLO Brc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)nc1 ZINC000418132493 1040626155 /nfs/dbraw/zinc/62/61/55/1040626155.db2.gz ZAWKMCDFPVHAFT-CQSZACIVSA-N 1 2 327.291 3.562 20 0 EHADLO CC[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000049412236 1016708614 /nfs/dbraw/zinc/70/86/14/1016708614.db2.gz GFTYDHAPONFQCI-GOSISDBHSA-N 1 2 328.481 3.586 20 0 EHADLO CC(=O)c1c[nH]c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000647652427 1016752454 /nfs/dbraw/zinc/75/24/54/1016752454.db2.gz RZTQENWQTGXYPA-UHFFFAOYSA-N 1 2 348.406 3.669 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCC(C)C ZINC000121168368 1016901851 /nfs/dbraw/zinc/90/18/51/1016901851.db2.gz WQNWWPLJJFCMBC-KRWDZBQOSA-N 1 2 343.471 3.833 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCC(C)C ZINC000121168368 1016901863 /nfs/dbraw/zinc/90/18/63/1016901863.db2.gz WQNWWPLJJFCMBC-KRWDZBQOSA-N 1 2 343.471 3.833 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1 ZINC000376624985 1016957371 /nfs/dbraw/zinc/95/73/71/1016957371.db2.gz BHKWUHQYZCVXJY-SFHVURJKSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1 ZINC000376624985 1016957380 /nfs/dbraw/zinc/95/73/80/1016957380.db2.gz BHKWUHQYZCVXJY-SFHVURJKSA-N 1 2 334.423 3.613 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(CO)c1 ZINC000376675530 1016970552 /nfs/dbraw/zinc/97/05/52/1016970552.db2.gz YQBJWAIGOPLAHL-UHFFFAOYSA-N 1 2 347.418 3.631 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000376689313 1016974931 /nfs/dbraw/zinc/97/49/31/1016974931.db2.gz MKLRIRITOFDPSH-OAHLLOKOSA-N 1 2 344.484 3.695 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C2CC(c3ccccc3F)C2)c2nnc[nH]2)cc1 ZINC000340374039 1017054617 /nfs/dbraw/zinc/05/46/17/1017054617.db2.gz CBFHYGIOEHHZBH-LEHRNKBSSA-N 1 2 340.377 3.708 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ncccc2Cl)C[C@@H]2CCCO2)c1 ZINC000528356253 1032162579 /nfs/dbraw/zinc/16/25/79/1032162579.db2.gz DFJYRJKIPFULAG-KRWDZBQOSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2ncccc2Cl)C[C@@H]2CCCO2)c1 ZINC000528356253 1032162581 /nfs/dbraw/zinc/16/25/81/1032162581.db2.gz DFJYRJKIPFULAG-KRWDZBQOSA-N 1 2 346.858 3.925 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000528355546 1032165315 /nfs/dbraw/zinc/16/53/15/1032165315.db2.gz CTMMWBBODKBDMS-OAHLLOKOSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000528355546 1032165319 /nfs/dbraw/zinc/16/53/19/1032165319.db2.gz CTMMWBBODKBDMS-OAHLLOKOSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc(OCC3CC3)nc2)s1 ZINC000278731524 1032178517 /nfs/dbraw/zinc/17/85/17/1032178517.db2.gz UMXRXCQVUQHPEC-UHFFFAOYSA-N 1 2 343.374 3.636 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000278734930 1032184986 /nfs/dbraw/zinc/18/49/86/1032184986.db2.gz WAXHKGGWNHIPBB-INIZCTEOSA-N 1 2 346.862 3.542 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000278734930 1032184987 /nfs/dbraw/zinc/18/49/87/1032184987.db2.gz WAXHKGGWNHIPBB-INIZCTEOSA-N 1 2 346.862 3.542 20 0 EHADLO CCC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000528366041 1032192379 /nfs/dbraw/zinc/19/23/79/1032192379.db2.gz OTWYJIYENVZIJK-KRWDZBQOSA-N 1 2 333.453 3.583 20 0 EHADLO CCC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000528366041 1032192386 /nfs/dbraw/zinc/19/23/86/1032192386.db2.gz OTWYJIYENVZIJK-KRWDZBQOSA-N 1 2 333.453 3.583 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cs1 ZINC000183731115 1032198909 /nfs/dbraw/zinc/19/89/09/1032198909.db2.gz PYHQTQLEKAPNIT-OAHLLOKOSA-N 1 2 335.860 3.996 20 0 EHADLO C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1cccc(O)c1 ZINC000080920856 1032205093 /nfs/dbraw/zinc/20/50/93/1032205093.db2.gz WPRVXNLWQMTSOG-UHFFFAOYSA-N 1 2 336.222 3.979 20 0 EHADLO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1cccc(O)c1 ZINC000080920856 1032205112 /nfs/dbraw/zinc/20/51/12/1032205112.db2.gz WPRVXNLWQMTSOG-UHFFFAOYSA-N 1 2 336.222 3.979 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(Cn2cc[nH+]c2)c1 ZINC000904753423 1032209914 /nfs/dbraw/zinc/20/99/14/1032209914.db2.gz QSPFFVYXQGTWTO-UHFFFAOYSA-N 1 2 334.345 3.974 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001271986810 1032209844 /nfs/dbraw/zinc/20/98/44/1032209844.db2.gz GFOYIJHVRKGVTM-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001271986810 1032209859 /nfs/dbraw/zinc/20/98/59/1032209859.db2.gz GFOYIJHVRKGVTM-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528394821 1032220942 /nfs/dbraw/zinc/22/09/42/1032220942.db2.gz IBQYOMAEHTZLIV-JTQLQIEISA-N 1 2 346.843 3.693 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000184010104 1032223782 /nfs/dbraw/zinc/22/37/82/1032223782.db2.gz QZDSBGZSWQAPHA-KRWDZBQOSA-N 1 2 336.357 3.716 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000184010104 1032223791 /nfs/dbraw/zinc/22/37/91/1032223791.db2.gz QZDSBGZSWQAPHA-KRWDZBQOSA-N 1 2 336.357 3.716 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)[nH+]1 ZINC000080946452 1032224168 /nfs/dbraw/zinc/22/41/68/1032224168.db2.gz HZNMYWHKFKBVAV-NSHDSACASA-N 1 2 335.411 3.788 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000080665014 1032229056 /nfs/dbraw/zinc/22/90/56/1032229056.db2.gz QAVGGHQPFUVJFF-WBVHZDCISA-N 1 2 344.459 3.611 20 0 EHADLO O=C(NCCC1=CCCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000183863443 1032234124 /nfs/dbraw/zinc/23/41/24/1032234124.db2.gz JGFDGKGAWRMSDO-UHFFFAOYSA-N 1 2 342.487 3.630 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1F ZINC000528406075 1032242729 /nfs/dbraw/zinc/24/27/29/1032242729.db2.gz SMROAAWHHDJNSN-AAEUAGOBSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1F ZINC000528406075 1032242735 /nfs/dbraw/zinc/24/27/35/1032242735.db2.gz SMROAAWHHDJNSN-AAEUAGOBSA-N 1 2 346.215 3.728 20 0 EHADLO CC(C)(C)[N@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000528408604 1032248252 /nfs/dbraw/zinc/24/82/52/1032248252.db2.gz YADYPZISHCJWIP-UHFFFAOYSA-N 1 2 339.432 3.623 20 0 EHADLO CC(C)(C)[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000528408604 1032248259 /nfs/dbraw/zinc/24/82/59/1032248259.db2.gz YADYPZISHCJWIP-UHFFFAOYSA-N 1 2 339.432 3.623 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1c(F)cccc1Cl ZINC000538276386 1032264581 /nfs/dbraw/zinc/26/45/81/1032264581.db2.gz QBXINFSNCZWMHY-CPCZMJQVSA-N 1 2 326.843 3.825 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)c(F)c1 ZINC000528426060 1032280315 /nfs/dbraw/zinc/28/03/15/1032280315.db2.gz PHRCJUGMWOBMLN-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)c(F)c1 ZINC000528426060 1032280326 /nfs/dbraw/zinc/28/03/26/1032280326.db2.gz PHRCJUGMWOBMLN-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)s1 ZINC000449191470 1032284621 /nfs/dbraw/zinc/28/46/21/1032284621.db2.gz JZRRDJMNWWKWDS-INIZCTEOSA-N 1 2 332.469 3.608 20 0 EHADLO CSc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184366050 1032287880 /nfs/dbraw/zinc/28/78/80/1032287880.db2.gz BGPSKCJQYLNRTP-CQSZACIVSA-N 1 2 346.521 3.989 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)nc2c1 ZINC000528436143 1032293962 /nfs/dbraw/zinc/29/39/62/1032293962.db2.gz KROLCLLSGIVONM-MWTRTKDXSA-N 1 2 344.505 3.814 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000459569361 1032295567 /nfs/dbraw/zinc/29/55/67/1032295567.db2.gz MEWHKIMKWKSUTA-UHFFFAOYSA-N 1 2 348.450 3.956 20 0 EHADLO Cn1c[nH+]cc1CN1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459592636 1032312851 /nfs/dbraw/zinc/31/28/51/1032312851.db2.gz NKWSDYUMKYWZDH-INIZCTEOSA-N 1 2 329.835 3.677 20 0 EHADLO CCOC(=O)c1cc(CNc2cc(CSCC)cc[nH+]2)[nH]c1C ZINC000449212176 1032316244 /nfs/dbraw/zinc/31/62/44/1032316244.db2.gz IVYVHONMQRVMLM-UHFFFAOYSA-N 1 2 333.457 3.760 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1csc(-c2ccoc2)n1 ZINC000459599877 1032319244 /nfs/dbraw/zinc/31/92/44/1032319244.db2.gz YNDDSYFDUKHGFX-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2ccoc2)n1 ZINC000459599877 1032319253 /nfs/dbraw/zinc/31/92/53/1032319253.db2.gz YNDDSYFDUKHGFX-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO COc1cc(CC2C[NH+](Cc3csc(C4CC4)n3)C2)cc(OC)c1 ZINC000459613377 1032326043 /nfs/dbraw/zinc/32/60/43/1032326043.db2.gz WWWHFZNEZLFFIX-UHFFFAOYSA-N 1 2 344.480 3.712 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184863008 1032327652 /nfs/dbraw/zinc/32/76/52/1032327652.db2.gz GNOPLMVATUPXFR-HUUCEWRRSA-N 1 2 329.444 3.543 20 0 EHADLO Brc1csc(-c2noc(C[N@@H+]3CCC34CCC4)n2)c1 ZINC000081545829 1032328331 /nfs/dbraw/zinc/32/83/31/1032328331.db2.gz IOLSUKIAXMRRLS-UHFFFAOYSA-N 1 2 340.246 3.689 20 0 EHADLO Brc1csc(-c2noc(C[N@H+]3CCC34CCC4)n2)c1 ZINC000081545829 1032328341 /nfs/dbraw/zinc/32/83/41/1032328341.db2.gz IOLSUKIAXMRRLS-UHFFFAOYSA-N 1 2 340.246 3.689 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000459630183 1032347091 /nfs/dbraw/zinc/34/70/91/1032347091.db2.gz INGNCOHNNOTGTJ-SECBINFHSA-N 1 2 327.375 3.896 20 0 EHADLO Cc1cc2occ(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2cc1C ZINC000184962681 1032349417 /nfs/dbraw/zinc/34/94/17/1032349417.db2.gz IFSZNHSWSBVZCZ-UHFFFAOYSA-N 1 2 349.434 3.975 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1OC1CCCCC1)Cn1cc[nH+]c1 ZINC000081800632 1032367641 /nfs/dbraw/zinc/36/76/41/1032367641.db2.gz MEJVGTYDYDVUSB-MRXNPFEDSA-N 1 2 341.455 3.661 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3F)s2)s1 ZINC000449239626 1032372405 /nfs/dbraw/zinc/37/24/05/1032372405.db2.gz WJDWMYDSNCEKBY-SECBINFHSA-N 1 2 334.445 3.960 20 0 EHADLO C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H](C)c1ccccc1 ZINC000083229207 1032391190 /nfs/dbraw/zinc/39/11/90/1032391190.db2.gz MMXLOUFJLCTSTK-DLBZAZTESA-N 1 2 348.450 3.864 20 0 EHADLO CC[C@](O)(C[NH2+][C@@H](c1ccco1)c1ccccc1OC)C(F)(F)F ZINC000905259354 1032395895 /nfs/dbraw/zinc/39/58/95/1032395895.db2.gz DSTKAEKJWWIYLL-CVEARBPZSA-N 1 2 343.345 3.671 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1F ZINC000528523082 1032399294 /nfs/dbraw/zinc/39/92/94/1032399294.db2.gz XNMAWTASWXEGJB-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1F ZINC000528523082 1032399305 /nfs/dbraw/zinc/39/93/05/1032399305.db2.gz XNMAWTASWXEGJB-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000084292970 1032437782 /nfs/dbraw/zinc/43/77/82/1032437782.db2.gz VKIWJGWZMWOJLB-CYBMUJFWSA-N 1 2 340.814 3.631 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(OC)c2)C[C@H](C)[S@]1=O ZINC000449320504 1032451936 /nfs/dbraw/zinc/45/19/36/1032451936.db2.gz JETJCIWUDZOKGV-DJKDLEHESA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(OC)c2)C[C@H](C)[S@]1=O ZINC000449320504 1032451945 /nfs/dbraw/zinc/45/19/45/1032451945.db2.gz JETJCIWUDZOKGV-DJKDLEHESA-N 1 2 331.481 3.580 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000537029236 1032493576 /nfs/dbraw/zinc/49/35/76/1032493576.db2.gz MKJNGZWMIWMPDY-HUUCEWRRSA-N 1 2 346.421 3.671 20 0 EHADLO COc1cc(C[NH2+][C@H](C)C(C)(F)F)ccc1OCC(F)(F)F ZINC000449417800 1032521545 /nfs/dbraw/zinc/52/15/45/1032521545.db2.gz ZSAPFXURTZVYGQ-SECBINFHSA-N 1 2 327.293 3.770 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000089268835 1032522056 /nfs/dbraw/zinc/52/20/56/1032522056.db2.gz LPFZJYBJSKACCR-GJZGRUSLSA-N 1 2 328.803 3.862 20 0 EHADLO Nc1nc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH+]c2ccccc12 ZINC000089269111 1032522236 /nfs/dbraw/zinc/52/22/36/1032522236.db2.gz IRBVJVWCWADJFF-HOTGVXAUSA-N 1 2 340.814 3.808 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449405020 1032528589 /nfs/dbraw/zinc/52/85/89/1032528589.db2.gz HQAVACSKBUPYMT-ZDUSSCGKSA-N 1 2 345.466 3.593 20 0 EHADLO Cn1c(C[NH2+][C@H](c2ccccn2)C2CCC2)nnc1-c1ccccc1 ZINC000528657465 1032542834 /nfs/dbraw/zinc/54/28/34/1032542834.db2.gz KAYOWKMMWXDHFA-IBGZPJMESA-N 1 2 333.439 3.508 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1F ZINC000537166493 1032545347 /nfs/dbraw/zinc/54/53/47/1032545347.db2.gz LQZVXKSPQHOMLJ-LJQANCHMSA-N 1 2 327.378 3.886 20 0 EHADLO Cc1cc2c(ncnc2NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000090073638 1032548495 /nfs/dbraw/zinc/54/84/95/1032548495.db2.gz FGEIPKOOULYDFE-UHFFFAOYSA-N 1 2 339.399 3.937 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c(OC)c1 ZINC000528672779 1032562107 /nfs/dbraw/zinc/56/21/07/1032562107.db2.gz LGKPTDIENQQPRE-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000537228719 1032570204 /nfs/dbraw/zinc/57/02/04/1032570204.db2.gz JOVCCGTWECOLHQ-GOSISDBHSA-N 1 2 347.462 3.909 20 0 EHADLO C[N@H+](Cc1cscc1Br)[C@H](CO)c1ccccc1 ZINC000449460836 1032578000 /nfs/dbraw/zinc/57/80/00/1032578000.db2.gz ZZHTWZSLXXJLKQ-CQSZACIVSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@@H+](Cc1cscc1Br)[C@H](CO)c1ccccc1 ZINC000449460836 1032578005 /nfs/dbraw/zinc/57/80/05/1032578005.db2.gz ZZHTWZSLXXJLKQ-CQSZACIVSA-N 1 2 326.259 3.676 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)no1 ZINC000537290402 1032597884 /nfs/dbraw/zinc/59/78/84/1032597884.db2.gz MARDSXZDIKLTCC-OAHLLOKOSA-N 1 2 335.423 3.915 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2ccccc2F)CC1 ZINC000119101554 1032627254 /nfs/dbraw/zinc/62/72/54/1032627254.db2.gz ATYANIPBGSTFNU-UHFFFAOYSA-N 1 2 339.345 3.821 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)sc1C ZINC000091051468 1032627869 /nfs/dbraw/zinc/62/78/69/1032627869.db2.gz BLBZAAGADHIEMQ-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO CC(C)Oc1ccnc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000593016819 1032642794 /nfs/dbraw/zinc/64/27/94/1032642794.db2.gz WJJZZGJMQDFIMH-OYLFLEFRSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)Oc1ccnc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000593016819 1032642806 /nfs/dbraw/zinc/64/28/06/1032642806.db2.gz WJJZZGJMQDFIMH-OYLFLEFRSA-N 1 2 346.496 3.799 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000606365859 1032651703 /nfs/dbraw/zinc/65/17/03/1032651703.db2.gz YIKVNPTWCOGPIK-PKOBYXMFSA-N 1 2 325.456 3.939 20 0 EHADLO CSCc1cc(F)ccc1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602113741 1032657332 /nfs/dbraw/zinc/65/73/32/1032657332.db2.gz PKXVCGUTMXATIL-KRWDZBQOSA-N 1 2 349.475 3.789 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449494089 1032659725 /nfs/dbraw/zinc/65/97/25/1032659725.db2.gz GFAGKJVKJBMEMG-YGRLFVJLSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449494089 1032659731 /nfs/dbraw/zinc/65/97/31/1032659731.db2.gz GFAGKJVKJBMEMG-YGRLFVJLSA-N 1 2 348.231 3.974 20 0 EHADLO c1c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)onc1-c1ccccc1 ZINC000537373960 1032668398 /nfs/dbraw/zinc/66/83/98/1032668398.db2.gz FEWHCQBAXFQREX-IBGZPJMESA-N 1 2 334.419 3.785 20 0 EHADLO c1c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)onc1-c1ccccc1 ZINC000537373960 1032668410 /nfs/dbraw/zinc/66/84/10/1032668410.db2.gz FEWHCQBAXFQREX-IBGZPJMESA-N 1 2 334.419 3.785 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000079436330 1017216566 /nfs/dbraw/zinc/21/65/66/1017216566.db2.gz MUPCKWPIXQXKBB-LJQANCHMSA-N 1 2 349.434 3.622 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000079436330 1017216580 /nfs/dbraw/zinc/21/65/80/1017216580.db2.gz MUPCKWPIXQXKBB-LJQANCHMSA-N 1 2 349.434 3.622 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515447 1123108213 /nfs/dbraw/zinc/10/82/13/1123108213.db2.gz DNRLYUOTSPZKFB-GHMZBOCLSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515447 1123108216 /nfs/dbraw/zinc/10/82/16/1123108216.db2.gz DNRLYUOTSPZKFB-GHMZBOCLSA-N 1 2 347.322 3.636 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000408033289 1017283803 /nfs/dbraw/zinc/28/38/03/1017283803.db2.gz KCKBXVCUQRIMAJ-MPGHIAIKSA-N 1 2 341.455 3.601 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000377124149 1017354378 /nfs/dbraw/zinc/35/43/78/1017354378.db2.gz CVCFUJKKORWKSH-UHFFFAOYSA-N 1 2 337.847 3.518 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1Br ZINC000613645677 1017396309 /nfs/dbraw/zinc/39/63/09/1017396309.db2.gz LTMBRRSBFYUPMS-VXGBXAGGSA-N 1 2 348.244 3.542 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1ccc(Br)cc1F ZINC000046601009 1017424876 /nfs/dbraw/zinc/42/48/76/1017424876.db2.gz BHQSWGGAYIBVMJ-UHFFFAOYSA-N 1 2 342.208 3.830 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1ccc(Br)cc1F ZINC000046601009 1017424883 /nfs/dbraw/zinc/42/48/83/1017424883.db2.gz BHQSWGGAYIBVMJ-UHFFFAOYSA-N 1 2 342.208 3.830 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528732063 1032701101 /nfs/dbraw/zinc/70/11/01/1032701101.db2.gz NABARXOOBQKDPZ-HXUWFJFHSA-N 1 2 341.455 3.727 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528732063 1032701119 /nfs/dbraw/zinc/70/11/19/1032701119.db2.gz NABARXOOBQKDPZ-HXUWFJFHSA-N 1 2 341.455 3.727 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000377226251 1017491515 /nfs/dbraw/zinc/49/15/15/1017491515.db2.gz SBFMNOOSVAGKGS-LJQANCHMSA-N 1 2 343.471 3.655 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000377226251 1017491523 /nfs/dbraw/zinc/49/15/23/1017491523.db2.gz SBFMNOOSVAGKGS-LJQANCHMSA-N 1 2 343.471 3.655 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nc1C)c1ccc(C)o1 ZINC000655741988 1017509718 /nfs/dbraw/zinc/50/97/18/1017509718.db2.gz DCGCYTVAUKGTTE-QGZVFWFLSA-N 1 2 343.402 3.699 20 0 EHADLO O[C@@H](C[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179798 1017536533 /nfs/dbraw/zinc/53/65/33/1017536533.db2.gz CNWNDVJSEOTRND-CHWSQXEVSA-N 1 2 325.733 3.524 20 0 EHADLO O[C@@H](C[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179798 1017536540 /nfs/dbraw/zinc/53/65/40/1017536540.db2.gz CNWNDVJSEOTRND-CHWSQXEVSA-N 1 2 325.733 3.524 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655776393 1017569849 /nfs/dbraw/zinc/56/98/49/1017569849.db2.gz IYPPZMXDTNRHIM-LBPRGKRZSA-N 1 2 340.652 3.924 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000340412768 1017580987 /nfs/dbraw/zinc/58/09/87/1017580987.db2.gz VLUJLFQEJLJDFH-IBGZPJMESA-N 1 2 326.415 3.586 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000340412768 1017581003 /nfs/dbraw/zinc/58/10/03/1017581003.db2.gz VLUJLFQEJLJDFH-IBGZPJMESA-N 1 2 326.415 3.586 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000655796638 1017630406 /nfs/dbraw/zinc/63/04/06/1017630406.db2.gz GJACSQZNAMARON-PBHICJAKSA-N 1 2 328.460 3.706 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)C1CCCC1 ZINC000655798055 1017637947 /nfs/dbraw/zinc/63/79/47/1017637947.db2.gz VVQQDJLXBPZLBY-IEBWSBKVSA-N 1 2 340.471 3.986 20 0 EHADLO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000377328862 1017641827 /nfs/dbraw/zinc/64/18/27/1017641827.db2.gz DHUITJJYNPTBGO-UXHICEINSA-N 1 2 347.418 3.522 20 0 EHADLO Cc1nnc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)n1C1CC1 ZINC000375620935 1017680936 /nfs/dbraw/zinc/68/09/36/1017680936.db2.gz ZYPZPEHIXCPAAG-IBGZPJMESA-N 1 2 346.425 3.983 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NCCc3c[nH+]cn3C)CCCC2)cc1 ZINC000121496110 1017726039 /nfs/dbraw/zinc/72/60/39/1017726039.db2.gz RCORHUYPGAPHNI-UHFFFAOYSA-N 1 2 339.483 3.714 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OC[C@@H]2CCCO2)c1 ZINC000091736177 1032719726 /nfs/dbraw/zinc/71/97/26/1032719726.db2.gz WGIHZWFGZVWEAP-ZBFHGGJFSA-N 1 2 332.469 3.860 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000377397661 1017741406 /nfs/dbraw/zinc/74/14/06/1017741406.db2.gz KOYYHKQTDJNHPX-DIFFPNOSSA-N 1 2 341.411 3.956 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626134226 1032720987 /nfs/dbraw/zinc/72/09/87/1032720987.db2.gz CPGLNILDYUFWSZ-HNAYVOBHSA-N 1 2 342.487 3.521 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626134226 1032721002 /nfs/dbraw/zinc/72/10/02/1032721002.db2.gz CPGLNILDYUFWSZ-HNAYVOBHSA-N 1 2 342.487 3.521 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000579958270 1017781006 /nfs/dbraw/zinc/78/10/06/1017781006.db2.gz WQOWCCOKIHXYMJ-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000579958270 1017781016 /nfs/dbraw/zinc/78/10/16/1017781016.db2.gz WQOWCCOKIHXYMJ-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO COc1ccccc1CN1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC001167312826 1017890268 /nfs/dbraw/zinc/89/02/68/1017890268.db2.gz ACAHTKOVXSSVEP-UHFFFAOYSA-N 1 2 344.886 3.975 20 0 EHADLO CCc1nc([C@H]2CCCCN2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000377487756 1017891283 /nfs/dbraw/zinc/89/12/83/1017891283.db2.gz JLRRPYXDHBPURN-QGZVFWFLSA-N 1 2 337.427 3.545 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000066792841 1017972527 /nfs/dbraw/zinc/97/25/27/1017972527.db2.gz OTBHQNWWXQVCFP-GOSISDBHSA-N 1 2 339.483 3.596 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000066792841 1017972536 /nfs/dbraw/zinc/97/25/36/1017972536.db2.gz OTBHQNWWXQVCFP-GOSISDBHSA-N 1 2 339.483 3.596 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000834392719 1017995183 /nfs/dbraw/zinc/99/51/83/1017995183.db2.gz NSDKFBYOXQDUDI-LBPRGKRZSA-N 1 2 325.733 3.787 20 0 EHADLO CC1(C)CC(C)(C)c2cc(NC(=O)N3CCn4c[nH+]cc4C3)ccc21 ZINC000564424766 1018009880 /nfs/dbraw/zinc/00/98/80/1018009880.db2.gz YOKGSSGTQJQMBB-UHFFFAOYSA-N 1 2 338.455 3.890 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000038638408 1018053154 /nfs/dbraw/zinc/05/31/54/1018053154.db2.gz MAVWORYQVLAXBS-UHFFFAOYSA-N 1 2 346.740 3.767 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708350 1018101713 /nfs/dbraw/zinc/10/17/13/1018101713.db2.gz GQVLTFXDRTYODI-KXBFYZLASA-N 1 2 344.430 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708350 1018101720 /nfs/dbraw/zinc/10/17/20/1018101720.db2.gz GQVLTFXDRTYODI-KXBFYZLASA-N 1 2 344.430 3.849 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c(Br)c1O ZINC000580015504 1018116363 /nfs/dbraw/zinc/11/63/63/1018116363.db2.gz NCMZGXURFZXFPZ-OAHLLOKOSA-N 1 2 340.261 3.784 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c(Br)c1O ZINC000580015504 1018116372 /nfs/dbraw/zinc/11/63/72/1018116372.db2.gz NCMZGXURFZXFPZ-OAHLLOKOSA-N 1 2 340.261 3.784 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377657194 1018133748 /nfs/dbraw/zinc/13/37/48/1018133748.db2.gz UFLDVAQCSJPMOV-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377657194 1018133751 /nfs/dbraw/zinc/13/37/51/1018133751.db2.gz UFLDVAQCSJPMOV-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000340522377 1018207819 /nfs/dbraw/zinc/20/78/19/1018207819.db2.gz DKDIUEXZWHZPEF-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155545076 1018238178 /nfs/dbraw/zinc/23/81/78/1018238178.db2.gz OHMMBHVJCJMARE-LJQANCHMSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](c3cccs3)C3CC3)ccc2[nH+]1 ZINC000606569142 1032752271 /nfs/dbraw/zinc/75/22/71/1032752271.db2.gz ZZLACCHWYTVSOL-INIZCTEOSA-N 1 2 326.425 3.977 20 0 EHADLO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1Cc1ccc3[nH]cnc3c1)CCCC2 ZINC000548021180 1018295750 /nfs/dbraw/zinc/29/57/50/1018295750.db2.gz BDLILHINVWOTJC-IBGZPJMESA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@@H]1CCC[N@H+]1Cc1ccc3[nH]cnc3c1)CCCC2 ZINC000548021180 1018295753 /nfs/dbraw/zinc/29/57/53/1018295753.db2.gz BDLILHINVWOTJC-IBGZPJMESA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1Cc1ccc3nc[nH]c3c1)CCCC2 ZINC000548021180 1018295762 /nfs/dbraw/zinc/29/57/62/1018295762.db2.gz BDLILHINVWOTJC-IBGZPJMESA-N 1 2 335.455 3.512 20 0 EHADLO Cn1c2c(nc1[C@@H]1CCC[N@H+]1Cc1ccc3nc[nH]c3c1)CCCC2 ZINC000548021180 1018295774 /nfs/dbraw/zinc/29/57/74/1018295774.db2.gz BDLILHINVWOTJC-IBGZPJMESA-N 1 2 335.455 3.512 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000092040164 1032755549 /nfs/dbraw/zinc/75/55/49/1032755549.db2.gz UCGJMNRGTFYYAG-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000092040164 1032755565 /nfs/dbraw/zinc/75/55/65/1032755565.db2.gz UCGJMNRGTFYYAG-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)n2)cc1 ZINC000377758827 1018324358 /nfs/dbraw/zinc/32/43/58/1018324358.db2.gz FJAKZNSSIUZWRV-ZDUSSCGKSA-N 1 2 338.436 3.900 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001143499984 1018325423 /nfs/dbraw/zinc/32/54/23/1018325423.db2.gz UOJLOIBEOQWBNK-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001143499984 1018325440 /nfs/dbraw/zinc/32/54/40/1018325440.db2.gz UOJLOIBEOQWBNK-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 ZINC000340542830 1018366026 /nfs/dbraw/zinc/36/60/26/1018366026.db2.gz OBHVTTYBVCWGAK-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042845099 1018370080 /nfs/dbraw/zinc/37/00/80/1018370080.db2.gz NZWPJTIXUGOEHT-HZPDHXFCSA-N 1 2 333.476 3.608 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(C2CC2)c1 ZINC000656054077 1018378351 /nfs/dbraw/zinc/37/83/51/1018378351.db2.gz JKIRKQSYMQBXKU-KXBFYZLASA-N 1 2 338.455 3.868 20 0 EHADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175865096 1018399132 /nfs/dbraw/zinc/39/91/32/1018399132.db2.gz XHBZEYUEKVSEQW-UHFFFAOYSA-N 1 2 345.358 3.744 20 0 EHADLO Cn1cnc2cc(CNc3cc[nH+]c(OCC(F)(F)F)c3)ccc21 ZINC000340557117 1018431900 /nfs/dbraw/zinc/43/19/00/1018431900.db2.gz KVTAUNLJOFCVRV-UHFFFAOYSA-N 1 2 336.317 3.522 20 0 EHADLO O=C(NCC1(Sc2ccccc2)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000606581563 1032764764 /nfs/dbraw/zinc/76/47/64/1032764764.db2.gz ISNQLVOAFZTJHJ-UHFFFAOYSA-N 1 2 338.436 3.781 20 0 EHADLO O=C(NCc1cc2c(s1)CCCC2)Nc1ccc2[nH+]ccn2c1 ZINC000606583019 1032767679 /nfs/dbraw/zinc/76/76/79/1032767679.db2.gz MGHIUSUOEOCAFM-UHFFFAOYSA-N 1 2 326.425 3.596 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000606583604 1032767817 /nfs/dbraw/zinc/76/78/17/1032767817.db2.gz HWMBCCPAHUXQIP-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccccc1Oc1ccccc1 ZINC000343850300 1018496541 /nfs/dbraw/zinc/49/65/41/1018496541.db2.gz YXKQEZGJILPZRM-QHCPKHFHSA-N 1 2 326.421 3.661 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581629 1032768083 /nfs/dbraw/zinc/76/80/83/1032768083.db2.gz KSWPVBHUYSGCBN-LLVKDONJSA-N 1 2 330.338 3.837 20 0 EHADLO Cc1nc([C@H](C)[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)no1 ZINC000377867725 1018502153 /nfs/dbraw/zinc/50/21/53/1018502153.db2.gz BGJQDLAHASARPB-LBPRGKRZSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1nc([C@H](C)[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)no1 ZINC000377867725 1018502160 /nfs/dbraw/zinc/50/21/60/1018502160.db2.gz BGJQDLAHASARPB-LBPRGKRZSA-N 1 2 343.406 3.533 20 0 EHADLO CCc1nc(N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc(C)[nH+]1 ZINC000580057119 1018576150 /nfs/dbraw/zinc/57/61/50/1018576150.db2.gz WSBAHPYAVDQAPT-BBRMVZONSA-N 1 2 331.847 3.967 20 0 EHADLO CCc1nc(N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc(C)[nH+]1 ZINC000580057122 1018576165 /nfs/dbraw/zinc/57/61/65/1018576165.db2.gz WSBAHPYAVDQAPT-XJKSGUPXSA-N 1 2 331.847 3.967 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)o1 ZINC000580066001 1018582313 /nfs/dbraw/zinc/58/23/13/1018582313.db2.gz HKIFMMYVSBRZIE-ZTFGCOKTSA-N 1 2 349.434 3.965 20 0 EHADLO O=C(C[N@@H+]1CCCc2sccc2C1)Nc1ccc(Cl)c(F)c1 ZINC001167350687 1018614287 /nfs/dbraw/zinc/61/42/87/1018614287.db2.gz OIVJLDTUKHICFZ-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO O=C(C[N@H+]1CCCc2sccc2C1)Nc1ccc(Cl)c(F)c1 ZINC001167350687 1018614296 /nfs/dbraw/zinc/61/42/96/1018614296.db2.gz OIVJLDTUKHICFZ-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO c1[nH+]cn2c1CN(c1nc(-c3ccccc3)nc3ccccc31)CC2 ZINC000377982494 1018636121 /nfs/dbraw/zinc/63/61/21/1018636121.db2.gz HLOOBMZFIZDIQP-UHFFFAOYSA-N 1 2 327.391 3.514 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000606617989 1032773773 /nfs/dbraw/zinc/77/37/73/1032773773.db2.gz VYKQEUGSWVXVQV-LMMKCTJWSA-N 1 2 340.471 3.763 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc(OC(C)C)cc3)ccn12 ZINC000563897320 1032776980 /nfs/dbraw/zinc/77/69/80/1032776980.db2.gz VGWJGQWCSIJQJO-OAHLLOKOSA-N 1 2 337.423 3.921 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000580148916 1018710039 /nfs/dbraw/zinc/71/00/39/1018710039.db2.gz LNURRPOTZDVWBA-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+](CCC2CCCCC2)CC(N)=O)s1 ZINC000513056729 1018722293 /nfs/dbraw/zinc/72/22/93/1018722293.db2.gz KULZQCDAFUEIIR-UHFFFAOYSA-N 1 2 337.533 3.698 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+](CCC2CCCCC2)CC(N)=O)s1 ZINC000513056729 1018722307 /nfs/dbraw/zinc/72/23/07/1018722307.db2.gz KULZQCDAFUEIIR-UHFFFAOYSA-N 1 2 337.533 3.698 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000052410053 1018797177 /nfs/dbraw/zinc/79/71/77/1018797177.db2.gz ADYYJUJBSRXARY-MRXNPFEDSA-N 1 2 328.481 3.586 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1cccc(C)c1C)C1CC1 ZINC000052183617 1018859106 /nfs/dbraw/zinc/85/91/06/1018859106.db2.gz QGTZUYBPBLSJHP-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1cccc(C)c1C)C1CC1 ZINC000052183617 1018859126 /nfs/dbraw/zinc/85/91/26/1018859126.db2.gz QGTZUYBPBLSJHP-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580250162 1018865319 /nfs/dbraw/zinc/86/53/19/1018865319.db2.gz ZLSVJIHJLNNLCP-GOSISDBHSA-N 1 2 347.462 3.530 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC12CCC(CC1)CC2 ZINC000576359542 1018867367 /nfs/dbraw/zinc/86/73/67/1018867367.db2.gz IROYKXHWJMPOHD-UHFFFAOYSA-N 1 2 342.418 3.533 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccn(C3CCCC3)n2)c(C)[nH+]1 ZINC000333228120 1018901406 /nfs/dbraw/zinc/90/14/06/1018901406.db2.gz XOXDKVOUZCQWKG-UHFFFAOYSA-N 1 2 327.432 3.640 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000193389396 1032794415 /nfs/dbraw/zinc/79/44/15/1032794415.db2.gz VJVJNCKVYRSNFG-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO O=C(Cc1csc(-c2cccs2)n1)Nc1c[nH+]c2n1CCCC2 ZINC000580284289 1018922095 /nfs/dbraw/zinc/92/20/95/1018922095.db2.gz UNNHODUHIUILSC-UHFFFAOYSA-N 1 2 344.465 3.586 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000419368285 1018932999 /nfs/dbraw/zinc/93/29/99/1018932999.db2.gz WMGAOYXODIZRFJ-DOMZBBRYSA-N 1 2 326.531 3.958 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000419368285 1018933021 /nfs/dbraw/zinc/93/30/21/1018933021.db2.gz WMGAOYXODIZRFJ-DOMZBBRYSA-N 1 2 326.531 3.958 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C(C)C)c1 ZINC000528772800 1032795662 /nfs/dbraw/zinc/79/56/62/1032795662.db2.gz ZOHHMSXERRAMBU-HNNXBMFYSA-N 1 2 327.350 3.970 20 0 EHADLO CCn1c(SCCc2[nH+]cc(C)cc2C)nnc1-c1ccco1 ZINC000580310511 1018981498 /nfs/dbraw/zinc/98/14/98/1018981498.db2.gz YMIAONLCDCQKQU-UHFFFAOYSA-N 1 2 328.441 3.905 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000255193060 1018999334 /nfs/dbraw/zinc/99/93/34/1018999334.db2.gz TXQLINUODSSGEB-AFZMMIJPSA-N 1 2 348.805 3.647 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000255193060 1018999349 /nfs/dbraw/zinc/99/93/49/1018999349.db2.gz TXQLINUODSSGEB-AFZMMIJPSA-N 1 2 348.805 3.647 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccccc3OC[C@H]2C)c(C)[nH+]1 ZINC000408462120 1019001691 /nfs/dbraw/zinc/00/16/91/1019001691.db2.gz CKIRKPVBLHHNKF-CQSZACIVSA-N 1 2 325.412 3.822 20 0 EHADLO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340641681 1019053893 /nfs/dbraw/zinc/05/38/93/1019053893.db2.gz GRBCKIIEKZIXDJ-QGZVFWFLSA-N 1 2 340.471 3.522 20 0 EHADLO O=C(NCc1c(F)cccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340647301 1019066863 /nfs/dbraw/zinc/06/68/63/1019066863.db2.gz HCLHKRWGTRSKRJ-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000340648149 1019067259 /nfs/dbraw/zinc/06/72/59/1019067259.db2.gz LHRNFXLZUJLIBM-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CCCc4c(cnn4C)C3)c2c1 ZINC000894182366 1019078852 /nfs/dbraw/zinc/07/88/52/1019078852.db2.gz LEPQNVBUOFAURX-UHFFFAOYSA-N 1 2 342.830 3.583 20 0 EHADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052565761 1019088922 /nfs/dbraw/zinc/08/89/22/1019088922.db2.gz XNPHDBKVDGSPKZ-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1OC ZINC000449561944 1032808708 /nfs/dbraw/zinc/80/87/08/1032808708.db2.gz FRCSFUIJRZYWSG-NSHDSACASA-N 1 2 338.249 3.525 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000449563936 1032809267 /nfs/dbraw/zinc/80/92/67/1032809267.db2.gz ZTWOMTZSQQZHQN-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275869538 1019154111 /nfs/dbraw/zinc/15/41/11/1019154111.db2.gz NYXIEBKHBALLAL-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1sccc1C ZINC000052661793 1019174239 /nfs/dbraw/zinc/17/42/39/1019174239.db2.gz NAFSEXLRBHAQTI-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC000052661793 1019174248 /nfs/dbraw/zinc/17/42/48/1019174248.db2.gz NAFSEXLRBHAQTI-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2CCC[C@H](CC)CC2)nc1C(F)(F)F ZINC000738256403 1019191473 /nfs/dbraw/zinc/19/14/73/1019191473.db2.gz SYPYCUXPKFJXTN-LBPRGKRZSA-N 1 2 347.381 3.548 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2CCC[C@H](CC)CC2)nc1C(F)(F)F ZINC000738256403 1019191481 /nfs/dbraw/zinc/19/14/81/1019191481.db2.gz SYPYCUXPKFJXTN-LBPRGKRZSA-N 1 2 347.381 3.548 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000052804269 1019267727 /nfs/dbraw/zinc/26/77/27/1019267727.db2.gz FJWXNSOBKARVGQ-AWEZNQCLSA-N 1 2 335.498 3.851 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000052804269 1019267738 /nfs/dbraw/zinc/26/77/38/1019267738.db2.gz FJWXNSOBKARVGQ-AWEZNQCLSA-N 1 2 335.498 3.851 20 0 EHADLO O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052910066 1019305494 /nfs/dbraw/zinc/30/54/94/1019305494.db2.gz BFOUJYDMNMVUGP-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO N#CCSc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533785 1019335869 /nfs/dbraw/zinc/33/58/69/1019335869.db2.gz MYHPXWGBVMWWGX-UHFFFAOYSA-N 1 2 334.404 3.740 20 0 EHADLO C[C@H](C1CC1)n1nccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255511689 1019341773 /nfs/dbraw/zinc/34/17/73/1019341773.db2.gz AWFUMRKKVOWRQX-KHSJVXASSA-N 1 2 347.422 3.692 20 0 EHADLO C[C@@H]1[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C[C@@H]1c1ccccc1 ZINC000471576522 1019346124 /nfs/dbraw/zinc/34/61/24/1019346124.db2.gz DDLLVAOGBGSHEC-ZYSHUDEJSA-N 1 2 348.450 3.666 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccccc1 ZINC000078364339 1019369883 /nfs/dbraw/zinc/36/98/83/1019369883.db2.gz NOWUYVYTLBGHFQ-SJORKVTESA-N 1 2 340.471 3.582 20 0 EHADLO C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000513176272 1019384921 /nfs/dbraw/zinc/38/49/21/1019384921.db2.gz PJACIIOTIWLLCQ-OAHLLOKOSA-N 1 2 337.398 3.604 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000433603895 1019432122 /nfs/dbraw/zinc/43/21/22/1019432122.db2.gz ODFVRNVNCCXFNK-GOSISDBHSA-N 1 2 346.862 3.776 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000433603895 1019432133 /nfs/dbraw/zinc/43/21/33/1019432133.db2.gz ODFVRNVNCCXFNK-GOSISDBHSA-N 1 2 346.862 3.776 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1c(F)cncc1F ZINC000513265807 1019480807 /nfs/dbraw/zinc/48/08/07/1019480807.db2.gz HCBBBMBOKAGERT-GFCCVEGCSA-N 1 2 347.409 3.947 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001203397361 1019504455 /nfs/dbraw/zinc/50/44/55/1019504455.db2.gz VAWFXGZARHSVKB-CQSZACIVSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001203397361 1019504474 /nfs/dbraw/zinc/50/44/74/1019504474.db2.gz VAWFXGZARHSVKB-CQSZACIVSA-N 1 2 338.238 3.827 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000155777068 1019570337 /nfs/dbraw/zinc/57/03/37/1019570337.db2.gz GRSKNJHMTWVYTM-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155777068 1019570349 /nfs/dbraw/zinc/57/03/49/1019570349.db2.gz GRSKNJHMTWVYTM-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3ccc(CC)cc3)C2)s1 ZINC000513380342 1019583743 /nfs/dbraw/zinc/58/37/43/1019583743.db2.gz GDTRXVJYAIHMDX-INIZCTEOSA-N 1 2 331.485 3.879 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H](c3ccc(CC)cc3)C2)s1 ZINC000513380342 1019583775 /nfs/dbraw/zinc/58/37/75/1019583775.db2.gz GDTRXVJYAIHMDX-INIZCTEOSA-N 1 2 331.485 3.879 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)CC(=O)NC(C)(C)C)s2)cc1C ZINC000656248192 1019589694 /nfs/dbraw/zinc/58/96/94/1019589694.db2.gz MBUFYVOPQALQMM-UHFFFAOYSA-N 1 2 345.512 3.773 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)CC(=O)NC(C)(C)C)s2)cc1C ZINC000656248192 1019589703 /nfs/dbraw/zinc/58/97/03/1019589703.db2.gz MBUFYVOPQALQMM-UHFFFAOYSA-N 1 2 345.512 3.773 20 0 EHADLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309441 1032841836 /nfs/dbraw/zinc/84/18/36/1032841836.db2.gz CCBQSHLVEJSYDT-STQMWFEESA-N 1 2 347.488 3.586 20 0 EHADLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309441 1032841854 /nfs/dbraw/zinc/84/18/54/1032841854.db2.gz CCBQSHLVEJSYDT-STQMWFEESA-N 1 2 347.488 3.586 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2nc3ccccc3n2C(F)F)[nH+]1 ZINC000433784606 1019615486 /nfs/dbraw/zinc/61/54/86/1019615486.db2.gz FHUGULOPPSXRTK-SECBINFHSA-N 1 2 342.353 3.606 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)NCCCn2cc[nH+]c2)cs1 ZINC000433786571 1019619442 /nfs/dbraw/zinc/61/94/42/1019619442.db2.gz YAMOOZSVCGZAFJ-UHFFFAOYSA-N 1 2 341.440 3.527 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H](C)C1 ZINC000074869127 1019637868 /nfs/dbraw/zinc/63/78/68/1019637868.db2.gz SHBSHOLDOQNMML-NUJGCVRESA-N 1 2 340.471 3.534 20 0 EHADLO COc1ccc2nc(C[NH2+][C@@H](c3ccccc3F)[C@@H](C)O)sc2c1 ZINC000580558602 1019643363 /nfs/dbraw/zinc/64/33/63/1019643363.db2.gz GJQRXVRWPBZICG-ADLMAVQZSA-N 1 2 346.427 3.656 20 0 EHADLO C[C@H](CCCC(F)(F)F)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000433800487 1019643765 /nfs/dbraw/zinc/64/37/65/1019643765.db2.gz DTZPEHLABAPDHG-LLVKDONJSA-N 1 2 334.411 3.563 20 0 EHADLO C[C@H](CCCC(F)(F)F)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000433800487 1019643771 /nfs/dbraw/zinc/64/37/71/1019643771.db2.gz DTZPEHLABAPDHG-LLVKDONJSA-N 1 2 334.411 3.563 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000119239594 1019757978 /nfs/dbraw/zinc/75/79/78/1019757978.db2.gz ISGAZLYQVLNBBO-LJQANCHMSA-N 1 2 340.471 3.796 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c(F)c1F ZINC000430023075 1019784367 /nfs/dbraw/zinc/78/43/67/1019784367.db2.gz VZRVZWBDQINAPC-UHFFFAOYSA-N 1 2 341.333 3.984 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC3CCC1CC3)C2 ZINC000580650961 1019796706 /nfs/dbraw/zinc/79/67/06/1019796706.db2.gz VAADCHJUQBNNKY-SSHXOBKSSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC3CCC1CC3)CC2 ZINC000580650961 1019796725 /nfs/dbraw/zinc/79/67/25/1019796725.db2.gz VAADCHJUQBNNKY-SSHXOBKSSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)C[C@H](C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)c1ccccc1 ZINC000656269851 1019821319 /nfs/dbraw/zinc/82/13/19/1019821319.db2.gz USTGKGQPLYYEFI-SJORKVTESA-N 1 2 328.460 3.576 20 0 EHADLO Cc1csc([C@H](C)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000684024168 1019846386 /nfs/dbraw/zinc/84/63/86/1019846386.db2.gz NZYYEGCMDOCVEE-HNNXBMFYSA-N 1 2 340.496 3.812 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000129987991 1019923237 /nfs/dbraw/zinc/92/32/37/1019923237.db2.gz WJOFXWRNYYBBIT-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3cccc(F)c3)CCC2)c1C ZINC000050448465 1019927657 /nfs/dbraw/zinc/92/76/57/1019927657.db2.gz LIYLEKOKJFRAPM-UHFFFAOYSA-N 1 2 342.414 3.584 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2coc3cc(C)ccc23)c1C ZINC000050449574 1019930930 /nfs/dbraw/zinc/93/09/30/1019930930.db2.gz HPEQSHKKIYGFCO-UHFFFAOYSA-N 1 2 338.407 3.621 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCc1ccccc1 ZINC000340751630 1019950545 /nfs/dbraw/zinc/95/05/45/1019950545.db2.gz LQRVBSVDHSNYBW-LJQANCHMSA-N 1 2 333.435 3.681 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC2(C1)CCCCC2 ZINC000175849340 1019993519 /nfs/dbraw/zinc/99/35/19/1019993519.db2.gz AVGFYWTYTXUOSM-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c1 ZINC000126398995 1020020888 /nfs/dbraw/zinc/02/08/88/1020020888.db2.gz TZFDZOCBGJYCAO-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c1 ZINC000126398995 1020020901 /nfs/dbraw/zinc/02/09/01/1020020901.db2.gz TZFDZOCBGJYCAO-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000606823923 1032870974 /nfs/dbraw/zinc/87/09/74/1032870974.db2.gz MEJLLNIGZHJFKG-SFHVURJKSA-N 1 2 336.439 3.580 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)cs1 ZINC000345210063 1020063780 /nfs/dbraw/zinc/06/37/80/1020063780.db2.gz QXNNJPCHQMHRNE-ZDUSSCGKSA-N 1 2 335.904 3.984 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000476115991 1032875939 /nfs/dbraw/zinc/87/59/39/1032875939.db2.gz ABVHFERAROLPEM-CZUORRHYSA-N 1 2 347.409 3.708 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280123209 1020115366 /nfs/dbraw/zinc/11/53/66/1020115366.db2.gz VWRZVVKULMMDES-LBPRGKRZSA-N 1 2 337.427 3.857 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3ccccc3F)no2)c1 ZINC000580917865 1020235544 /nfs/dbraw/zinc/23/55/44/1020235544.db2.gz LPGKBNSUIUFBDR-UHFFFAOYSA-N 1 2 334.354 3.961 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000580923167 1020243575 /nfs/dbraw/zinc/24/35/75/1020243575.db2.gz FTZACOQCSVYGMH-OAQYLSRUSA-N 1 2 339.483 3.903 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345448240 1020260541 /nfs/dbraw/zinc/26/05/41/1020260541.db2.gz NJZCTHNNWVOXGP-INIZCTEOSA-N 1 2 331.504 3.998 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000345472643 1020284682 /nfs/dbraw/zinc/28/46/82/1020284682.db2.gz MCGPTABYVSJEAS-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CSC[C@@H]1CCCCO1 ZINC000280323765 1020289477 /nfs/dbraw/zinc/28/94/77/1020289477.db2.gz VBGVUKFBGXVCOM-HNNXBMFYSA-N 1 2 345.468 3.626 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000345483809 1020292029 /nfs/dbraw/zinc/29/20/29/1020292029.db2.gz MCOBREDPAIEIQL-SUMWQHHRSA-N 1 2 330.815 3.518 20 0 EHADLO O=C(Nc1ccccc1-c1ncco1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001167440160 1020301419 /nfs/dbraw/zinc/30/14/19/1020301419.db2.gz RNAIHSLNWWEOOC-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO Fc1cccc(Cc2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000580981277 1020334169 /nfs/dbraw/zinc/33/41/69/1020334169.db2.gz AYSHYTRTYBCLID-UHFFFAOYSA-N 1 2 348.381 3.635 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119331516 1032892936 /nfs/dbraw/zinc/89/29/36/1032892936.db2.gz GCZGYJVWNPJUGD-ZWKOTPCHSA-N 1 2 339.483 3.703 20 0 EHADLO CC1(C)C(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1(C)C ZINC000345520970 1020342079 /nfs/dbraw/zinc/34/20/79/1020342079.db2.gz KUGIYSVVSWDOHR-UHFFFAOYSA-N 1 2 329.488 3.760 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000093304124 1032894228 /nfs/dbraw/zinc/89/42/28/1032894228.db2.gz JJUFEQZEMDFPEW-HNNXBMFYSA-N 1 2 329.444 3.500 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000093304124 1032894244 /nfs/dbraw/zinc/89/42/44/1032894244.db2.gz JJUFEQZEMDFPEW-HNNXBMFYSA-N 1 2 329.444 3.500 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(F)cccc2Cl)s1 ZINC000280483068 1020427820 /nfs/dbraw/zinc/42/78/20/1020427820.db2.gz DTQDPFVTACTFJH-UHFFFAOYSA-N 1 2 347.864 3.624 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528824087 1032900330 /nfs/dbraw/zinc/90/03/30/1032900330.db2.gz DRHIMTJPEXJSAW-KGLIPLIRSA-N 1 2 325.403 3.508 20 0 EHADLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000345705624 1020461517 /nfs/dbraw/zinc/46/15/17/1020461517.db2.gz AIVZUDQDHGDKGV-UHFFFAOYSA-N 1 2 338.498 3.699 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccn1 ZINC000048272854 1020487398 /nfs/dbraw/zinc/48/73/98/1020487398.db2.gz BJYUFZKQEABUCF-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccn1 ZINC000048272854 1020487403 /nfs/dbraw/zinc/48/74/03/1020487403.db2.gz BJYUFZKQEABUCF-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000581201513 1020514425 /nfs/dbraw/zinc/51/44/25/1020514425.db2.gz WXQZZRKVCNJARO-AWEZNQCLSA-N 1 2 347.422 3.503 20 0 EHADLO CSc1ccc2ncnc(N(C)Cc3cn4c([nH+]3)CCCC4)c2c1 ZINC000340904982 1020573153 /nfs/dbraw/zinc/57/31/53/1020573153.db2.gz OVYHJKQPAGUGPL-UHFFFAOYSA-N 1 2 339.468 3.521 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ncc(-c2ccccc2)o1 ZINC000606950661 1032917916 /nfs/dbraw/zinc/91/79/16/1032917916.db2.gz LFYILFFCTZQELP-CYBMUJFWSA-N 1 2 347.378 3.872 20 0 EHADLO CSCCc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000345911242 1020605744 /nfs/dbraw/zinc/60/57/44/1020605744.db2.gz SWINLSHPMICDNX-IBGZPJMESA-N 1 2 340.492 3.805 20 0 EHADLO CSCCc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000345911242 1020605756 /nfs/dbraw/zinc/60/57/56/1020605756.db2.gz SWINLSHPMICDNX-IBGZPJMESA-N 1 2 340.492 3.805 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000501006641 1020642929 /nfs/dbraw/zinc/64/29/29/1020642929.db2.gz UZYUGJUMGYHPLG-IHWYPQMZSA-N 1 2 338.426 3.605 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(C2CC2)cc1 ZINC000419584313 1020723295 /nfs/dbraw/zinc/72/32/95/1020723295.db2.gz MCZBOHANJOCZCE-CQSZACIVSA-N 1 2 338.455 3.937 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(C2CC2)cc1 ZINC000419584313 1020723301 /nfs/dbraw/zinc/72/33/01/1020723301.db2.gz MCZBOHANJOCZCE-CQSZACIVSA-N 1 2 338.455 3.937 20 0 EHADLO CC(C)c1ccnc(N2CC[NH+](Cc3cccc(C(F)F)c3)CC2)n1 ZINC000684204481 1020728547 /nfs/dbraw/zinc/72/85/47/1020728547.db2.gz COUDDQOCNMPNMX-UHFFFAOYSA-N 1 2 346.425 3.860 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684210873 1020756434 /nfs/dbraw/zinc/75/64/34/1020756434.db2.gz SRZWHOJJDXPZCR-AWEZNQCLSA-N 1 2 331.375 3.894 20 0 EHADLO c1[nH+]c(-c2ccc(OCc3cc4n(n3)CCC4)cc2)n2c1CCCC2 ZINC000650321266 1020787281 /nfs/dbraw/zinc/78/72/81/1020787281.db2.gz GGPNGKZIDKFKJF-UHFFFAOYSA-N 1 2 334.423 3.608 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC000341009564 1020840357 /nfs/dbraw/zinc/84/03/57/1020840357.db2.gz BODKVXGFFQNRNT-GFCCVEGCSA-N 1 2 347.484 3.610 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000389779637 1020848761 /nfs/dbraw/zinc/84/87/61/1020848761.db2.gz GTMHGOJCNFXEFK-PBHICJAKSA-N 1 2 330.859 3.656 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCC1 ZINC000341013650 1020853181 /nfs/dbraw/zinc/85/31/81/1020853181.db2.gz KPPZJONOBZTDJS-CQSZACIVSA-N 1 2 344.434 3.779 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C(C)C)cc1 ZINC000341023011 1020874047 /nfs/dbraw/zinc/87/40/47/1020874047.db2.gz YDTCLGRDRAOUEJ-OAHLLOKOSA-N 1 2 343.349 3.670 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)CCS2 ZINC000276202815 1020893968 /nfs/dbraw/zinc/89/39/68/1020893968.db2.gz YXZPRWCKORYYAC-RISCZKNCSA-N 1 2 332.473 3.824 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000341050371 1020924790 /nfs/dbraw/zinc/92/47/90/1020924790.db2.gz PUAZUTCSOHRJRH-UGSOOPFHSA-N 1 2 343.390 3.750 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341150348 1021018033 /nfs/dbraw/zinc/01/80/33/1021018033.db2.gz GYINTBLJPWCOCJ-AWEZNQCLSA-N 1 2 340.404 3.697 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000548186534 1021050788 /nfs/dbraw/zinc/05/07/88/1021050788.db2.gz BELZBHSEGDDMJT-LPHOPBHVSA-N 1 2 340.471 3.799 20 0 EHADLO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccc(F)cc3F)cc(=O)oc12 ZINC000073893987 1021080006 /nfs/dbraw/zinc/08/00/06/1021080006.db2.gz YFPSJIXJTUYMTD-UHFFFAOYSA-N 1 2 345.345 3.717 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157196018 1021080978 /nfs/dbraw/zinc/08/09/78/1021080978.db2.gz VLJHSSLRIYREKS-NWDGAFQWSA-N 1 2 326.387 3.625 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157196018 1021080985 /nfs/dbraw/zinc/08/09/85/1021080985.db2.gz VLJHSSLRIYREKS-NWDGAFQWSA-N 1 2 326.387 3.625 20 0 EHADLO Cc1cccc(CC2C[NH+](Cc3nccn3Cc3ccccc3)C2)c1 ZINC000656648255 1021082536 /nfs/dbraw/zinc/08/25/36/1021082536.db2.gz TYUIQYUCQCXMMS-UHFFFAOYSA-N 1 2 331.463 3.914 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)on1 ZINC000341234293 1021144865 /nfs/dbraw/zinc/14/48/65/1021144865.db2.gz DHKDJJWDYVMKNE-OAHLLOKOSA-N 1 2 344.459 3.717 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cn(CC(C)C)nc3C(F)F)ccn12 ZINC000581616372 1021156874 /nfs/dbraw/zinc/15/68/74/1021156874.db2.gz KIVZEPKFCZUZDC-UHFFFAOYSA-N 1 2 347.369 3.685 20 0 EHADLO CCOc1ccccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341242926 1021166408 /nfs/dbraw/zinc/16/64/08/1021166408.db2.gz PNHPSBLPPDOZAI-UHFFFAOYSA-N 1 2 341.455 3.614 20 0 EHADLO COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1Br ZINC000656685976 1021167279 /nfs/dbraw/zinc/16/72/79/1021167279.db2.gz JFMHCARLWQCNTL-UHFFFAOYSA-N 1 2 338.167 3.842 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2Br)c1F ZINC000656688538 1021170456 /nfs/dbraw/zinc/17/04/56/1021170456.db2.gz NOWDSIWBYSOORC-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(Br)c1 ZINC000656688837 1021176551 /nfs/dbraw/zinc/17/65/51/1021176551.db2.gz WYOLMFBPLPCECB-UHFFFAOYSA-N 1 2 338.167 3.842 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997410 1021200736 /nfs/dbraw/zinc/20/07/36/1021200736.db2.gz ORWAPMZEWPMKEQ-LLVKDONJSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1csc(C(F)(F)F)c1 ZINC000926158690 1021203138 /nfs/dbraw/zinc/20/31/38/1021203138.db2.gz NETPUCLQQMHYMP-VIFPVBQESA-N 1 2 330.379 3.546 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1F ZINC000341275684 1021261787 /nfs/dbraw/zinc/26/17/87/1021261787.db2.gz AHJCMMYITNLEBK-SNVBAGLBSA-N 1 2 332.379 3.729 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000607038812 1032970281 /nfs/dbraw/zinc/97/02/81/1032970281.db2.gz PKIGMZUZSRBOBV-VXGBXAGGSA-N 1 2 340.254 3.746 20 0 EHADLO Oc1ccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000436893950 1021323457 /nfs/dbraw/zinc/32/34/57/1021323457.db2.gz QSBJQQBEQSVRKY-KMKOMSMNSA-N 1 2 330.347 3.798 20 0 EHADLO COc1ncc(NCc2c[nH+]cn2C(C)C)c(C)c1Br ZINC000656778923 1021329486 /nfs/dbraw/zinc/32/94/86/1021329486.db2.gz NSEJKWVNWDKZER-UHFFFAOYSA-N 1 2 339.237 3.551 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)o1 ZINC000426351109 1021352123 /nfs/dbraw/zinc/35/21/23/1021352123.db2.gz JHCZINZMUNSVTK-LLVKDONJSA-N 1 2 336.407 3.943 20 0 EHADLO CN(CCOc1cccc(Cl)c1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000518602746 1021364792 /nfs/dbraw/zinc/36/47/92/1021364792.db2.gz JZOPBTXBDQZIHC-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO CN(CCOc1cccc(Cl)c1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000518602746 1021364812 /nfs/dbraw/zinc/36/48/12/1021364812.db2.gz JZOPBTXBDQZIHC-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO CCc1nnc(C[NH+]2CCC(c3cccc(Br)c3)CC2)[nH]1 ZINC000439331597 1021366796 /nfs/dbraw/zinc/36/67/96/1021366796.db2.gz YFLZYHXDFQXNJM-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO COCc1nc(C[NH2+]Cc2cc(C)c(Br)s2)cs1 ZINC000353221725 1021383017 /nfs/dbraw/zinc/38/30/17/1021383017.db2.gz BPWRKLJHZSNYFH-UHFFFAOYSA-N 1 2 347.303 3.712 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507597509 1021388506 /nfs/dbraw/zinc/38/85/06/1021388506.db2.gz NHEHYYDKCRESBD-ULQDDVLXSA-N 1 2 346.519 3.933 20 0 EHADLO C[NH+](C)Cc1cc(-c2noc(-c3cc(Cl)ccc3O)n2)ccc1F ZINC000436939376 1021398460 /nfs/dbraw/zinc/39/84/60/1021398460.db2.gz NMCMQVNHLZPOTF-UHFFFAOYSA-N 1 2 347.777 3.963 20 0 EHADLO OCC[N@H+](Cc1cccc(F)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000426371652 1021400611 /nfs/dbraw/zinc/40/06/11/1021400611.db2.gz LVNMSLHRKWEQPR-UHFFFAOYSA-N 1 2 345.311 3.978 20 0 EHADLO OCC[N@@H+](Cc1cccc(F)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000426371652 1021400614 /nfs/dbraw/zinc/40/06/14/1021400614.db2.gz LVNMSLHRKWEQPR-UHFFFAOYSA-N 1 2 345.311 3.978 20 0 EHADLO Cc1cc(NC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c(C)c[nH+]1 ZINC000516429328 1021410031 /nfs/dbraw/zinc/41/00/31/1021410031.db2.gz UMAAFCVBJKRDEF-GOSISDBHSA-N 1 2 335.451 3.922 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000507667223 1021424887 /nfs/dbraw/zinc/42/48/87/1021424887.db2.gz BMWPEYPNAQJGAM-KRWDZBQOSA-N 1 2 331.799 3.642 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000507667223 1021424892 /nfs/dbraw/zinc/42/48/92/1021424892.db2.gz BMWPEYPNAQJGAM-KRWDZBQOSA-N 1 2 331.799 3.642 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c[nH+]1 ZINC000897612799 1032979181 /nfs/dbraw/zinc/97/91/81/1032979181.db2.gz HTLLPXCDGGFWAG-QGZVFWFLSA-N 1 2 325.456 3.560 20 0 EHADLO COC(=O)[C@H](CC1CCCCC1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000426389731 1021448790 /nfs/dbraw/zinc/44/87/90/1021448790.db2.gz GMXDRAYXSJSWGC-KRWDZBQOSA-N 1 2 347.484 3.535 20 0 EHADLO C[C@H](CNC(=O)c1cc2occc2s1)[N@@H+]1CCc2sccc2C1 ZINC000605453948 1021452503 /nfs/dbraw/zinc/45/25/03/1021452503.db2.gz ZBKCHYUFFQJYDY-LLVKDONJSA-N 1 2 346.477 3.732 20 0 EHADLO C[C@H](CNC(=O)c1cc2occc2s1)[N@H+]1CCc2sccc2C1 ZINC000605453948 1021452513 /nfs/dbraw/zinc/45/25/13/1021452513.db2.gz ZBKCHYUFFQJYDY-LLVKDONJSA-N 1 2 346.477 3.732 20 0 EHADLO CCCc1csc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)n1 ZINC000426392973 1021461660 /nfs/dbraw/zinc/46/16/60/1021461660.db2.gz BPPBGTLKMTYJMR-UHFFFAOYSA-N 1 2 349.544 3.757 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000139671236 1032981753 /nfs/dbraw/zinc/98/17/53/1032981753.db2.gz GNEQJZNTBVKFGH-NSHDSACASA-N 1 2 338.320 3.529 20 0 EHADLO Cc1c[nH+]c(CNc2cccc3cncc(Br)c32)n1C ZINC000341338191 1021468746 /nfs/dbraw/zinc/46/87/46/1021468746.db2.gz HFISCHHRMQZEAQ-UHFFFAOYSA-N 1 2 331.217 3.651 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cncc(Cl)c1C ZINC000296962365 1021478242 /nfs/dbraw/zinc/47/82/42/1021478242.db2.gz KGPLTHFLZUCTSZ-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000516486455 1021480086 /nfs/dbraw/zinc/48/00/86/1021480086.db2.gz QAXZAUPWBPZAJM-JHJVBQTASA-N 1 2 329.366 3.509 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000439499571 1021504976 /nfs/dbraw/zinc/50/49/76/1021504976.db2.gz OSELOAJJPVGTAV-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000439499571 1021504984 /nfs/dbraw/zinc/50/49/84/1021504984.db2.gz OSELOAJJPVGTAV-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO CCCc1csc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000426414240 1021515785 /nfs/dbraw/zinc/51/57/85/1021515785.db2.gz AHKQXOWWXTWKFJ-OAHLLOKOSA-N 1 2 330.501 3.733 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCC[C@H]1F ZINC000333942131 1021517043 /nfs/dbraw/zinc/51/70/43/1021517043.db2.gz PRVSICNQRXFUHY-ZIAGYGMSSA-N 1 2 340.468 3.531 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000139551412 1032987019 /nfs/dbraw/zinc/98/70/19/1032987019.db2.gz PYTVIZBDVYEXNP-UHFFFAOYSA-N 1 2 333.391 3.732 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000139551412 1032987028 /nfs/dbraw/zinc/98/70/28/1032987028.db2.gz PYTVIZBDVYEXNP-UHFFFAOYSA-N 1 2 333.391 3.732 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c(C)c1 ZINC000437092044 1021545338 /nfs/dbraw/zinc/54/53/38/1021545338.db2.gz DXPDGORTVSXEOZ-MRXNPFEDSA-N 1 2 338.430 3.933 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccccc1C(F)F ZINC000425721197 1021557315 /nfs/dbraw/zinc/55/73/15/1021557315.db2.gz YKEYDPIMBONBFO-UHFFFAOYSA-N 1 2 346.381 3.941 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449659587 1032991241 /nfs/dbraw/zinc/99/12/41/1032991241.db2.gz BNSXVGRFVVKFHG-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccsc2Cl)C1 ZINC000449659587 1032991229 /nfs/dbraw/zinc/99/12/29/1032991229.db2.gz BNSXVGRFVVKFHG-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1Cc2ccc(F)cc21 ZINC000684404644 1021629991 /nfs/dbraw/zinc/62/99/91/1021629991.db2.gz QHLTWMMAMUYTRU-INIZCTEOSA-N 1 2 345.443 3.547 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000593586581 1032991375 /nfs/dbraw/zinc/99/13/75/1032991375.db2.gz ZQFNCHONQVXMJV-GOSISDBHSA-N 1 2 338.407 3.954 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000593586581 1032991387 /nfs/dbraw/zinc/99/13/87/1032991387.db2.gz ZQFNCHONQVXMJV-GOSISDBHSA-N 1 2 338.407 3.954 20 0 EHADLO COc1ccc(OCc2nc(C[NH+]3CC(C(C)C)C3)cs2)cc1 ZINC000684408598 1021652156 /nfs/dbraw/zinc/65/21/56/1021652156.db2.gz KECWWJZIXTWPEI-UHFFFAOYSA-N 1 2 332.469 3.819 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)c1 ZINC000519832779 1021709840 /nfs/dbraw/zinc/70/98/40/1021709840.db2.gz MAMIDPBSDPAQDA-NSHDSACASA-N 1 2 327.375 3.855 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)c1 ZINC000519832779 1021709853 /nfs/dbraw/zinc/70/98/53/1021709853.db2.gz MAMIDPBSDPAQDA-NSHDSACASA-N 1 2 327.375 3.855 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000289320820 1021711595 /nfs/dbraw/zinc/71/15/95/1021711595.db2.gz FRMUZZBRQUWKCK-IBGZPJMESA-N 1 2 339.418 3.521 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000289320820 1021711613 /nfs/dbraw/zinc/71/16/13/1021711613.db2.gz FRMUZZBRQUWKCK-IBGZPJMESA-N 1 2 339.418 3.521 20 0 EHADLO CCC[N@H+](Cc1nnn(CC(F)(F)F)n1)[C@@H](CC)c1ccccc1 ZINC000440692053 1021711940 /nfs/dbraw/zinc/71/19/40/1021711940.db2.gz JVJBETDFTXNOBV-AWEZNQCLSA-N 1 2 341.381 3.599 20 0 EHADLO CCC[N@@H+](Cc1nnn(CC(F)(F)F)n1)[C@@H](CC)c1ccccc1 ZINC000440692053 1021711952 /nfs/dbraw/zinc/71/19/52/1021711952.db2.gz JVJBETDFTXNOBV-AWEZNQCLSA-N 1 2 341.381 3.599 20 0 EHADLO CC[C@H](F)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000440705020 1021725923 /nfs/dbraw/zinc/72/59/23/1021725923.db2.gz NEFPELPMTSOJJN-INIZCTEOSA-N 1 2 333.476 3.676 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(Oc2ccccc2F)CC1 ZINC000440753744 1021754343 /nfs/dbraw/zinc/75/43/43/1021754343.db2.gz AHTNXTLROLLOPH-UHFFFAOYSA-N 1 2 337.354 3.562 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC1 ZINC000593672184 1033002725 /nfs/dbraw/zinc/00/27/25/1033002725.db2.gz NTMXMISKQROHFD-UHFFFAOYSA-N 1 2 347.484 3.692 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC1 ZINC000593672184 1033002739 /nfs/dbraw/zinc/00/27/39/1033002739.db2.gz NTMXMISKQROHFD-UHFFFAOYSA-N 1 2 347.484 3.692 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000140524959 1033003225 /nfs/dbraw/zinc/00/32/25/1033003225.db2.gz HPFUUTDOTBKFPJ-AWEZNQCLSA-N 1 2 348.447 3.550 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000140524959 1033003241 /nfs/dbraw/zinc/00/32/41/1033003241.db2.gz HPFUUTDOTBKFPJ-AWEZNQCLSA-N 1 2 348.447 3.550 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C)c(C)c1 ZINC000440807992 1021799793 /nfs/dbraw/zinc/79/97/93/1021799793.db2.gz WTXDHRDOKQQWNA-KRWDZBQOSA-N 1 2 328.460 3.587 20 0 EHADLO c1csc(C[N@H+](Cc2ccnn2C2CCC2)C[C@H]2CCCO2)c1 ZINC000891515228 1021805161 /nfs/dbraw/zinc/80/51/61/1021805161.db2.gz CCVRGJPMJBFRBX-QGZVFWFLSA-N 1 2 331.485 3.851 20 0 EHADLO c1csc(C[N@@H+](Cc2ccnn2C2CCC2)C[C@H]2CCCO2)c1 ZINC000891515228 1021805180 /nfs/dbraw/zinc/80/51/80/1021805180.db2.gz CCVRGJPMJBFRBX-QGZVFWFLSA-N 1 2 331.485 3.851 20 0 EHADLO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1cnn(-c2ccccc2)c1 ZINC000891527494 1021843741 /nfs/dbraw/zinc/84/37/41/1021843741.db2.gz JBAZNKPBLRUPKJ-UHFFFAOYSA-N 1 2 335.455 3.501 20 0 EHADLO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1cnn(-c2ccccc2)c1 ZINC000891527494 1021843756 /nfs/dbraw/zinc/84/37/56/1021843756.db2.gz JBAZNKPBLRUPKJ-UHFFFAOYSA-N 1 2 335.455 3.501 20 0 EHADLO CCCCc1ccc2nc(NC(=O)CCc3c[nH]c[nH+]3)sc2c1 ZINC000684431254 1021893555 /nfs/dbraw/zinc/89/35/55/1021893555.db2.gz NTMAPJPUPIQXFD-UHFFFAOYSA-N 1 2 328.441 3.933 20 0 EHADLO CCCCc1ccc2nc(NC(=O)CCc3c[nH+]c[nH]3)sc2c1 ZINC000684431254 1021893567 /nfs/dbraw/zinc/89/35/67/1021893567.db2.gz NTMAPJPUPIQXFD-UHFFFAOYSA-N 1 2 328.441 3.933 20 0 EHADLO FC(F)(F)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000607150530 1033014717 /nfs/dbraw/zinc/01/47/17/1033014717.db2.gz RZAWFMUMSADTAR-UHFFFAOYSA-N 1 2 340.311 3.775 20 0 EHADLO CC[N@H+](Cn1nc(N(C(C)=O)C2CC2)sc1=S)[C@@H](C)C(C)C ZINC000067366702 1021913373 /nfs/dbraw/zinc/91/33/73/1021913373.db2.gz PCPFXIJWIGVEFS-NSHDSACASA-N 1 2 342.534 3.513 20 0 EHADLO CC[N@@H+](Cn1nc(N(C(C)=O)C2CC2)sc1=S)[C@@H](C)C(C)C ZINC000067366702 1021913381 /nfs/dbraw/zinc/91/33/81/1021913381.db2.gz PCPFXIJWIGVEFS-NSHDSACASA-N 1 2 342.534 3.513 20 0 EHADLO CCc1occc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000280797861 1021963964 /nfs/dbraw/zinc/96/39/64/1021963964.db2.gz LUTDAUMHYNULRL-LBPRGKRZSA-N 1 2 333.457 3.783 20 0 EHADLO CCc1occc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000280797861 1021963970 /nfs/dbraw/zinc/96/39/70/1021963970.db2.gz LUTDAUMHYNULRL-LBPRGKRZSA-N 1 2 333.457 3.783 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@@H](Nc2cc(COC)cc[nH+]2)c2ccccc21 ZINC000593725982 1033019264 /nfs/dbraw/zinc/01/92/64/1033019264.db2.gz ULIJZGYVTQWRDQ-QZTJIDSGSA-N 1 2 340.423 3.822 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)c1C ZINC000437586971 1021978606 /nfs/dbraw/zinc/97/86/06/1021978606.db2.gz ZRIUKGLQCDNGKZ-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)c1C ZINC000437586971 1021978615 /nfs/dbraw/zinc/97/86/15/1021978615.db2.gz ZRIUKGLQCDNGKZ-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1F ZINC000520173483 1021987902 /nfs/dbraw/zinc/98/79/02/1021987902.db2.gz MVLWRUNSLXKGFN-MRXNPFEDSA-N 1 2 328.431 3.914 20 0 EHADLO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1F ZINC000520173483 1021987911 /nfs/dbraw/zinc/98/79/11/1021987911.db2.gz MVLWRUNSLXKGFN-MRXNPFEDSA-N 1 2 328.431 3.914 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCSC[C@@H]2C2CCC2)nc2cc(Cl)ccc12 ZINC000520205832 1022021516 /nfs/dbraw/zinc/02/15/16/1022021516.db2.gz OPMVNGMJRVXBFO-OAHLLOKOSA-N 1 2 349.887 3.706 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCSC[C@@H]2C2CCC2)nc2cc(Cl)ccc12 ZINC000520205832 1022021531 /nfs/dbraw/zinc/02/15/31/1022021531.db2.gz OPMVNGMJRVXBFO-OAHLLOKOSA-N 1 2 349.887 3.706 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccn2)cc1 ZINC000519337070 1022028476 /nfs/dbraw/zinc/02/84/76/1022028476.db2.gz YHKXVQLGGDSOIV-HXUWFJFHSA-N 1 2 330.435 3.937 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C[C@@H]1COc2ccccc2O1 ZINC000506095990 1022033295 /nfs/dbraw/zinc/03/32/95/1022033295.db2.gz PURPWVICDAXCFK-CQSZACIVSA-N 1 2 330.428 3.634 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)C[C@@H]1COc2ccccc2O1 ZINC000506095990 1022033310 /nfs/dbraw/zinc/03/33/10/1022033310.db2.gz PURPWVICDAXCFK-CQSZACIVSA-N 1 2 330.428 3.634 20 0 EHADLO FC(F)(F)c1ccc(OCC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000441176138 1022036288 /nfs/dbraw/zinc/03/62/88/1022036288.db2.gz UPNHTELTNQJXIT-INIZCTEOSA-N 1 2 341.329 3.751 20 0 EHADLO FC(F)(F)c1ccc(OCC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000441176138 1022036300 /nfs/dbraw/zinc/03/63/00/1022036300.db2.gz UPNHTELTNQJXIT-INIZCTEOSA-N 1 2 341.329 3.751 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440270305 1022058385 /nfs/dbraw/zinc/05/83/85/1022058385.db2.gz WIYCFWSFIVZHKM-OFQRWUPVSA-N 1 2 345.874 3.750 20 0 EHADLO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(Br)o1 ZINC000891602341 1022077648 /nfs/dbraw/zinc/07/76/48/1022077648.db2.gz OJPYLYFRXRDXBC-UHFFFAOYSA-N 1 2 338.249 3.671 20 0 EHADLO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(Br)o1 ZINC000891602341 1022077663 /nfs/dbraw/zinc/07/76/63/1022077663.db2.gz OJPYLYFRXRDXBC-UHFFFAOYSA-N 1 2 338.249 3.671 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000517172950 1022104455 /nfs/dbraw/zinc/10/44/55/1022104455.db2.gz REYUEQSQQXUEFJ-JXFKEZNVSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000517172950 1022104463 /nfs/dbraw/zinc/10/44/63/1022104463.db2.gz REYUEQSQQXUEFJ-JXFKEZNVSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1cc(F)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000124271605 1022114084 /nfs/dbraw/zinc/11/40/84/1022114084.db2.gz FUTOEUNCUUBKOK-UHFFFAOYSA-N 1 2 345.324 3.528 20 0 EHADLO Cc1cccc(-c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2)c1 ZINC000506127999 1022119577 /nfs/dbraw/zinc/11/95/77/1022119577.db2.gz XRWJJKUMVIHUMP-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1C ZINC000520299478 1022121106 /nfs/dbraw/zinc/12/11/06/1022121106.db2.gz RURWXLYVSJTTRX-UHFFFAOYSA-N 1 2 349.434 3.853 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000891633145 1022175071 /nfs/dbraw/zinc/17/50/71/1022175071.db2.gz GWMHGXBSEQGKCY-OAHLLOKOSA-N 1 2 333.844 3.623 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000891633145 1022175099 /nfs/dbraw/zinc/17/50/99/1022175099.db2.gz GWMHGXBSEQGKCY-OAHLLOKOSA-N 1 2 333.844 3.623 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000172937609 1033035108 /nfs/dbraw/zinc/03/51/08/1033035108.db2.gz MRLHNRVSINAATM-UHFFFAOYSA-N 1 2 341.430 3.663 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172937609 1033035129 /nfs/dbraw/zinc/03/51/29/1033035129.db2.gz MRLHNRVSINAATM-UHFFFAOYSA-N 1 2 341.430 3.663 20 0 EHADLO CC(C)[N@H+](Cc1ccccn1)Cc1cc2c(cc1Cl)OCCO2 ZINC000574313980 1033035226 /nfs/dbraw/zinc/03/52/26/1033035226.db2.gz USGYOCONZKTZTL-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc2c(cc1Cl)OCCO2 ZINC000574313980 1033035237 /nfs/dbraw/zinc/03/52/37/1033035237.db2.gz USGYOCONZKTZTL-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO Cn1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(C2CC2)n1 ZINC000891643461 1022194939 /nfs/dbraw/zinc/19/49/39/1022194939.db2.gz BRDIIOQZKGYLKT-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(C2CC2)n1 ZINC000891643461 1022194955 /nfs/dbraw/zinc/19/49/55/1022194955.db2.gz BRDIIOQZKGYLKT-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)n1 ZINC000437867888 1022218477 /nfs/dbraw/zinc/21/84/77/1022218477.db2.gz BTWYRLCHVYPNJF-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)n1 ZINC000437867888 1022218488 /nfs/dbraw/zinc/21/84/88/1022218488.db2.gz BTWYRLCHVYPNJF-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437901751 1022244377 /nfs/dbraw/zinc/24/43/77/1022244377.db2.gz MLJUQRJTVVXPJK-MRXNPFEDSA-N 1 2 339.483 3.974 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437901751 1022244388 /nfs/dbraw/zinc/24/43/88/1022244388.db2.gz MLJUQRJTVVXPJK-MRXNPFEDSA-N 1 2 339.483 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c(C)c1 ZINC000437889596 1022248086 /nfs/dbraw/zinc/24/80/86/1022248086.db2.gz CGPISEQXVWCGRF-QGZVFWFLSA-N 1 2 325.456 3.774 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)c(C)c1 ZINC000437889596 1022248092 /nfs/dbraw/zinc/24/80/92/1022248092.db2.gz CGPISEQXVWCGRF-QGZVFWFLSA-N 1 2 325.456 3.774 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)s1 ZINC000090418959 1022258905 /nfs/dbraw/zinc/25/89/05/1022258905.db2.gz GGFXRNZUYDIKDF-AWEZNQCLSA-N 1 2 326.469 3.742 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1C ZINC000473911613 1022272255 /nfs/dbraw/zinc/27/22/55/1022272255.db2.gz PMJBZJKETNOREM-KRWDZBQOSA-N 1 2 340.442 3.962 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CC3CCC2CC3)c1)[NH+]1CCOCC1 ZINC000550341172 1022277486 /nfs/dbraw/zinc/27/74/86/1022277486.db2.gz IBFXPOAUSWSGLA-ILCXRZRJSA-N 1 2 342.483 3.845 20 0 EHADLO CCC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000092973408 1022280172 /nfs/dbraw/zinc/28/01/72/1022280172.db2.gz UDLSJYKRALYUIL-UHFFFAOYSA-N 1 2 332.831 3.654 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000519526569 1022287104 /nfs/dbraw/zinc/28/71/04/1022287104.db2.gz OVQAHHPZUKRLPS-DAYGRLMNSA-N 1 2 344.434 3.684 20 0 EHADLO CCN(C)C(=O)c1cccc(NCc2cc(C)[nH+]c3c2CCCC3)c1 ZINC000894444048 1022290005 /nfs/dbraw/zinc/29/00/05/1022290005.db2.gz COHLCTLKXIFIOV-UHFFFAOYSA-N 1 2 337.467 3.973 20 0 EHADLO COc1cc(C)[nH+]c(CN(CC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000534548723 1022297957 /nfs/dbraw/zinc/29/79/57/1022297957.db2.gz VBEHUYKVBMYURW-UHFFFAOYSA-N 1 2 342.439 3.747 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000894482643 1022356173 /nfs/dbraw/zinc/35/61/73/1022356173.db2.gz DGVZVKWAPHDOGE-AWEZNQCLSA-N 1 2 331.489 3.873 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000894482643 1022356190 /nfs/dbraw/zinc/35/61/90/1022356190.db2.gz DGVZVKWAPHDOGE-AWEZNQCLSA-N 1 2 331.489 3.873 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000684476257 1022395589 /nfs/dbraw/zinc/39/55/89/1022395589.db2.gz OXVWSPZEGBQRDX-HLRDLLSLSA-N 1 2 329.469 3.888 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000684476257 1022395608 /nfs/dbraw/zinc/39/56/08/1022395608.db2.gz OXVWSPZEGBQRDX-HLRDLLSLSA-N 1 2 329.469 3.888 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)nc1 ZINC000894509004 1022432881 /nfs/dbraw/zinc/43/28/81/1022432881.db2.gz QODVBUXVGUTCGC-UHFFFAOYSA-N 1 2 332.272 3.677 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1C[C@@H]1C(F)F ZINC000510495744 1022436194 /nfs/dbraw/zinc/43/61/94/1022436194.db2.gz JLYLPLGADGUCAR-GJZGRUSLSA-N 1 2 331.366 3.726 20 0 EHADLO CC1(C)CN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000664823842 1022438517 /nfs/dbraw/zinc/43/85/17/1022438517.db2.gz PYEJARSXAUXKAB-HXUWFJFHSA-N 1 2 332.451 3.910 20 0 EHADLO COc1ccc2c(c1)c(C(=O)Nc1ccc3[nH+]c(C)cn3c1)c(C)n2C ZINC001125545744 1022455383 /nfs/dbraw/zinc/45/53/83/1022455383.db2.gz MKDGHWXXTKGODT-UHFFFAOYSA-N 1 2 348.406 3.704 20 0 EHADLO c1cc(-c2n[nH]cc2CNc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000548359281 1022489471 /nfs/dbraw/zinc/48/94/71/1022489471.db2.gz ZETPBSJCXNKBAA-UHFFFAOYSA-N 1 2 325.441 3.746 20 0 EHADLO C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccsc1 ZINC000588928603 1022514919 /nfs/dbraw/zinc/51/49/19/1022514919.db2.gz JMAXSQZBLFJEKJ-UHFFFAOYSA-N 1 2 342.508 3.661 20 0 EHADLO C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccsc1 ZINC000588928603 1022514925 /nfs/dbraw/zinc/51/49/25/1022514925.db2.gz JMAXSQZBLFJEKJ-UHFFFAOYSA-N 1 2 342.508 3.661 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1C ZINC000051334747 1022549981 /nfs/dbraw/zinc/54/99/81/1022549981.db2.gz VFLNLZMSNHFVBL-MRXNPFEDSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000276742766 1022554227 /nfs/dbraw/zinc/55/42/27/1022554227.db2.gz ZMQUFBYKMVXUSB-JSGCOSHPSA-N 1 2 341.484 3.583 20 0 EHADLO c1cc(-c2ccccc2)oc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000119467280 1033064226 /nfs/dbraw/zinc/06/42/26/1033064226.db2.gz RKILKROSZIYASF-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000476223667 1033062349 /nfs/dbraw/zinc/06/23/49/1033062349.db2.gz MAUKOUACEBPBIX-SJORKVTESA-N 1 2 340.442 3.835 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000767 1022609156 /nfs/dbraw/zinc/60/91/56/1022609156.db2.gz OXCWHSSQGSALPV-OHZIQAAMSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000767 1022609162 /nfs/dbraw/zinc/60/91/62/1022609162.db2.gz OXCWHSSQGSALPV-OHZIQAAMSA-N 1 2 327.428 3.845 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000430707638 1022611905 /nfs/dbraw/zinc/61/19/05/1022611905.db2.gz YHVQTGSKFDNINQ-CWFSZBLJSA-N 1 2 331.419 3.538 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC=CCC3)n2)O1 ZINC000665004674 1022644476 /nfs/dbraw/zinc/64/44/76/1022644476.db2.gz JFJYAMPOGRVYNL-BPQIPLTHSA-N 1 2 339.439 3.855 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC=CCC3)n2)O1 ZINC000665004674 1022644485 /nfs/dbraw/zinc/64/44/85/1022644485.db2.gz JFJYAMPOGRVYNL-BPQIPLTHSA-N 1 2 339.439 3.855 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3=CCCC3)n2)O1 ZINC000665004448 1022652116 /nfs/dbraw/zinc/65/21/16/1022652116.db2.gz VMQZLSQBGHKOEC-RHSMWYFYSA-N 1 2 325.412 3.599 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3=CCCC3)n2)O1 ZINC000665004448 1022652127 /nfs/dbraw/zinc/65/21/27/1022652127.db2.gz VMQZLSQBGHKOEC-RHSMWYFYSA-N 1 2 325.412 3.599 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC=CCC3)n2)O1 ZINC000665005452 1022665608 /nfs/dbraw/zinc/66/56/08/1022665608.db2.gz JFJYAMPOGRVYNL-NJAFHUGGSA-N 1 2 339.439 3.855 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC=CCC3)n2)O1 ZINC000665005452 1022665618 /nfs/dbraw/zinc/66/56/18/1022665618.db2.gz JFJYAMPOGRVYNL-NJAFHUGGSA-N 1 2 339.439 3.855 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000517786966 1022682041 /nfs/dbraw/zinc/68/20/41/1022682041.db2.gz IPCRFJSMUNYHEJ-AWEZNQCLSA-N 1 2 338.411 3.658 20 0 EHADLO COc1ccc(F)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000550199836 1022700945 /nfs/dbraw/zinc/70/09/45/1022700945.db2.gz QAGQGVDYBPBJOW-UHFFFAOYSA-N 1 2 327.403 3.746 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579568 1022702407 /nfs/dbraw/zinc/70/24/07/1022702407.db2.gz OMJLKSPSZRGOQM-KBPBESRZSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579568 1022702420 /nfs/dbraw/zinc/70/24/20/1022702420.db2.gz OMJLKSPSZRGOQM-KBPBESRZSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000152304071 1022705309 /nfs/dbraw/zinc/70/53/09/1022705309.db2.gz OBBHTOZNRFJJFP-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO Cc1cc(NC(=O)NCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000438542139 1022769198 /nfs/dbraw/zinc/76/91/98/1022769198.db2.gz ANEPVALIEWZJRY-UHFFFAOYSA-N 1 2 338.333 3.642 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001143575345 1022780349 /nfs/dbraw/zinc/78/03/49/1022780349.db2.gz UEPGBQNUZFFBIR-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001143575345 1022780359 /nfs/dbraw/zinc/78/03/59/1022780359.db2.gz UEPGBQNUZFFBIR-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510649807 1022820459 /nfs/dbraw/zinc/82/04/59/1022820459.db2.gz XZDWGXBGDICMTQ-QGZVFWFLSA-N 1 2 337.872 3.936 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510649807 1022820481 /nfs/dbraw/zinc/82/04/81/1022820481.db2.gz XZDWGXBGDICMTQ-QGZVFWFLSA-N 1 2 337.872 3.936 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2sccc2C)c1 ZINC000008309912 1022853268 /nfs/dbraw/zinc/85/32/68/1022853268.db2.gz HZWFXPXXASFIAJ-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2sccc2C)c1 ZINC000008309912 1022853287 /nfs/dbraw/zinc/85/32/87/1022853287.db2.gz HZWFXPXXASFIAJ-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(C)(C)CC[C@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OC(C)(C)C ZINC000602684342 1033086316 /nfs/dbraw/zinc/08/63/16/1033086316.db2.gz WARIFZMRRSWDPK-GPANFISMSA-N 1 2 335.492 3.713 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C(F)(F)F ZINC000305139686 1022863899 /nfs/dbraw/zinc/86/38/99/1022863899.db2.gz LYWKYZMAUDNZML-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO COCCCC[N@H+](Cc1c(Cl)c(C)nn1C)Cc1ccccc1 ZINC000891810755 1022876159 /nfs/dbraw/zinc/87/61/59/1022876159.db2.gz VOZUKYDHEJOUHJ-UHFFFAOYSA-N 1 2 335.879 3.811 20 0 EHADLO COCCCC[N@@H+](Cc1c(Cl)c(C)nn1C)Cc1ccccc1 ZINC000891810755 1022876171 /nfs/dbraw/zinc/87/61/71/1022876171.db2.gz VOZUKYDHEJOUHJ-UHFFFAOYSA-N 1 2 335.879 3.811 20 0 EHADLO C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000149543369 1033083555 /nfs/dbraw/zinc/08/35/55/1033083555.db2.gz BANWZBWLAZLTKX-CYBMUJFWSA-N 1 2 341.361 3.968 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)[C@H](C)C2(C)CC2)c1)[NH+]1CCOCC1 ZINC000438651776 1022902377 /nfs/dbraw/zinc/90/23/77/1022902377.db2.gz BHRBXQHIQULJLI-HZPDHXFCSA-N 1 2 345.487 3.732 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccccc2F)no1 ZINC000188930332 1022933490 /nfs/dbraw/zinc/93/34/90/1022933490.db2.gz MHRUMADRCLORKD-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccccc2F)no1 ZINC000188930332 1022933506 /nfs/dbraw/zinc/93/35/06/1022933506.db2.gz MHRUMADRCLORKD-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO CCSCC[C@H](C)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189117946 1022969981 /nfs/dbraw/zinc/96/99/81/1022969981.db2.gz MRYBWBWVBPBSNX-NSHDSACASA-N 1 2 341.427 3.978 20 0 EHADLO CCSCC[C@H](C)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189117946 1022969990 /nfs/dbraw/zinc/96/99/90/1022969990.db2.gz MRYBWBWVBPBSNX-NSHDSACASA-N 1 2 341.427 3.978 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCCCc1ccccc1)c1ccco1 ZINC000189267595 1022987909 /nfs/dbraw/zinc/98/79/09/1022987909.db2.gz USONOKIKQSWUPK-SFHVURJKSA-N 1 2 327.424 3.576 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCCCc1ccccc1)c1ccco1 ZINC000189267595 1022987922 /nfs/dbraw/zinc/98/79/22/1022987922.db2.gz USONOKIKQSWUPK-SFHVURJKSA-N 1 2 327.424 3.576 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000366700149 1022989849 /nfs/dbraw/zinc/98/98/49/1022989849.db2.gz KQXYREUMUOHEFS-IYARVYRRSA-N 1 2 349.409 3.747 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)CCO1 ZINC000506358217 1022996483 /nfs/dbraw/zinc/99/64/83/1022996483.db2.gz VNGPXXZJXUHYLB-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)CCO1 ZINC000506358217 1022996495 /nfs/dbraw/zinc/99/64/95/1022996495.db2.gz VNGPXXZJXUHYLB-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000441463413 1023000381 /nfs/dbraw/zinc/00/03/81/1023000381.db2.gz FMSMJXRFJTXLTM-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000441463413 1023000395 /nfs/dbraw/zinc/00/03/95/1023000395.db2.gz FMSMJXRFJTXLTM-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548417003 1023038176 /nfs/dbraw/zinc/03/81/76/1023038176.db2.gz FOTJAXKAAQRVMS-KBPBESRZSA-N 1 2 345.830 3.513 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000430974613 1023048381 /nfs/dbraw/zinc/04/83/81/1023048381.db2.gz BMIIOPMLGXNGOS-KXBFYZLASA-N 1 2 338.455 3.523 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000341700627 1023058911 /nfs/dbraw/zinc/05/89/11/1023058911.db2.gz RQCWDMOJKIQKRY-GFCCVEGCSA-N 1 2 345.855 3.998 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341700627 1023058917 /nfs/dbraw/zinc/05/89/17/1023058917.db2.gz RQCWDMOJKIQKRY-GFCCVEGCSA-N 1 2 345.855 3.998 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)Nc3cccc4[nH+]ccn43)c2)c1 ZINC000426839913 1023075967 /nfs/dbraw/zinc/07/59/67/1023075967.db2.gz HWKHBKMLMVTWRH-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1nc3c(s1)CCC3)O[C@H](C)C2 ZINC000134728783 1033105031 /nfs/dbraw/zinc/10/50/31/1033105031.db2.gz QEKJHRNZOWJDDQ-VXGBXAGGSA-N 1 2 344.480 3.815 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143564884 1023150429 /nfs/dbraw/zinc/15/04/29/1023150429.db2.gz NHOGWCZQWCPNKL-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143564884 1023150434 /nfs/dbraw/zinc/15/04/34/1023150434.db2.gz NHOGWCZQWCPNKL-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000130540607 1023185567 /nfs/dbraw/zinc/18/55/67/1023185567.db2.gz UABMIJNKJHYHIJ-AWEZNQCLSA-N 1 2 342.491 3.900 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000130540607 1023185574 /nfs/dbraw/zinc/18/55/74/1023185574.db2.gz UABMIJNKJHYHIJ-AWEZNQCLSA-N 1 2 342.491 3.900 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)cs1 ZINC000439010236 1023207026 /nfs/dbraw/zinc/20/70/26/1023207026.db2.gz ZOKQGTWKMSRKOH-NSHDSACASA-N 1 2 333.457 3.523 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000190482061 1023207182 /nfs/dbraw/zinc/20/71/82/1023207182.db2.gz GBSWDHKWMGWSCF-INIZCTEOSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2ccccc2C)c(C)c1 ZINC000441491111 1023232110 /nfs/dbraw/zinc/23/21/10/1023232110.db2.gz RTOOILNAACQZCD-NRFANRHFSA-N 1 2 347.462 3.909 20 0 EHADLO CCCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000518358781 1023258300 /nfs/dbraw/zinc/25/83/00/1023258300.db2.gz CVQRMLFPROHPSE-MRXNPFEDSA-N 1 2 338.451 3.861 20 0 EHADLO CCCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000518358781 1023258307 /nfs/dbraw/zinc/25/83/07/1023258307.db2.gz CVQRMLFPROHPSE-MRXNPFEDSA-N 1 2 338.451 3.861 20 0 EHADLO CC(C)=CCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000276869781 1023262599 /nfs/dbraw/zinc/26/25/99/1023262599.db2.gz QHJBHVMIUPPVFE-CALCHBBNSA-N 1 2 345.487 3.774 20 0 EHADLO CC(C)=CCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000276869781 1023262609 /nfs/dbraw/zinc/26/26/09/1023262609.db2.gz QHJBHVMIUPPVFE-CALCHBBNSA-N 1 2 345.487 3.774 20 0 EHADLO CC(C)=CCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000276869788 1023263266 /nfs/dbraw/zinc/26/32/66/1023263266.db2.gz QHJBHVMIUPPVFE-IRXDYDNUSA-N 1 2 345.487 3.774 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC2CCCC2)c(C)c1 ZINC000441497524 1023272924 /nfs/dbraw/zinc/27/29/24/1023272924.db2.gz KCORYDUOIQBZSY-LJQANCHMSA-N 1 2 325.456 3.938 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(CCc2ccc(F)cc2)C2CC2)c[nH+]1 ZINC000459088807 1023275673 /nfs/dbraw/zinc/27/56/73/1023275673.db2.gz XUNOXQIRGPGRIQ-UHFFFAOYSA-N 1 2 341.430 3.754 20 0 EHADLO CCCc1csc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)n1 ZINC000426393436 1023284553 /nfs/dbraw/zinc/28/45/53/1023284553.db2.gz DVGSFDMJOAZUQZ-UHFFFAOYSA-N 1 2 334.489 3.982 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000128744745 1033124631 /nfs/dbraw/zinc/12/46/31/1033124631.db2.gz VJEYYPPXMRCYOJ-CYBMUJFWSA-N 1 2 332.831 3.860 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000128744745 1033124637 /nfs/dbraw/zinc/12/46/37/1033124637.db2.gz VJEYYPPXMRCYOJ-CYBMUJFWSA-N 1 2 332.831 3.860 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000602757929 1033127898 /nfs/dbraw/zinc/12/78/98/1033127898.db2.gz BSWINAACQSOOAL-SNVBAGLBSA-N 1 2 340.395 3.791 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000602757929 1033127913 /nfs/dbraw/zinc/12/79/13/1033127913.db2.gz BSWINAACQSOOAL-SNVBAGLBSA-N 1 2 340.395 3.791 20 0 EHADLO COCCCn1nccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000449734230 1033129757 /nfs/dbraw/zinc/12/97/57/1033129757.db2.gz RNBADYNFJOPOOB-GOSISDBHSA-N 1 2 335.398 3.535 20 0 EHADLO COCCCn1nccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000449734230 1033129763 /nfs/dbraw/zinc/12/97/63/1033129763.db2.gz RNBADYNFJOPOOB-GOSISDBHSA-N 1 2 335.398 3.535 20 0 EHADLO c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276947418 1023449742 /nfs/dbraw/zinc/44/97/42/1023449742.db2.gz NYRLZCCVEAIPAH-QGZVFWFLSA-N 1 2 327.428 3.691 20 0 EHADLO c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276947418 1023449747 /nfs/dbraw/zinc/44/97/47/1023449747.db2.gz NYRLZCCVEAIPAH-QGZVFWFLSA-N 1 2 327.428 3.691 20 0 EHADLO Cc1noc(C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)c2ccccc2)n1 ZINC000276952287 1023460960 /nfs/dbraw/zinc/46/09/60/1023460960.db2.gz BWGFPRFOECRBTH-GOSISDBHSA-N 1 2 349.438 3.751 20 0 EHADLO CCC(CC)(CC)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476342610 1033143246 /nfs/dbraw/zinc/14/32/46/1033143246.db2.gz OSVXCTFMSYHCDV-UHFFFAOYSA-N 1 2 337.414 3.956 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000684595019 1023614052 /nfs/dbraw/zinc/61/40/52/1023614052.db2.gz RPOGPURIJPHWLK-UHFFFAOYSA-N 1 2 328.362 3.693 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000684595019 1023614056 /nfs/dbraw/zinc/61/40/56/1023614056.db2.gz RPOGPURIJPHWLK-UHFFFAOYSA-N 1 2 328.362 3.693 20 0 EHADLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1cccs1 ZINC000535792898 1023640341 /nfs/dbraw/zinc/64/03/41/1023640341.db2.gz SGYIDSYAPRLIBU-OLZOCXBDSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1cccs1 ZINC000535792898 1023640346 /nfs/dbraw/zinc/64/03/46/1023640346.db2.gz SGYIDSYAPRLIBU-OLZOCXBDSA-N 1 2 332.444 3.511 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC(F)(F)C1 ZINC000277009817 1023698849 /nfs/dbraw/zinc/69/88/49/1023698849.db2.gz AWAUEKGQUKMWNO-UHFFFAOYSA-N 1 2 344.365 3.521 20 0 EHADLO Cn1ncc(C[NH+]2CCC(CC(F)(F)F)CC2)c1C(F)(F)F ZINC000341976958 1023737995 /nfs/dbraw/zinc/73/79/95/1023737995.db2.gz LKHQYGRQVQUYSS-UHFFFAOYSA-N 1 2 329.288 3.603 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001143418423 1023739226 /nfs/dbraw/zinc/73/92/26/1023739226.db2.gz UOYSZYADTQMEPD-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001143418423 1023739232 /nfs/dbraw/zinc/73/92/32/1023739232.db2.gz UOYSZYADTQMEPD-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(C)[nH]1 ZINC000341994536 1023747235 /nfs/dbraw/zinc/74/72/35/1023747235.db2.gz NXBKEFJAWSFLNR-UHFFFAOYSA-N 1 2 332.488 3.874 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000449748817 1033161756 /nfs/dbraw/zinc/16/17/56/1033161756.db2.gz NMPYQPIQCPMFGZ-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3cccc(F)c3)no2)c1 ZINC000684612821 1023813176 /nfs/dbraw/zinc/81/31/76/1023813176.db2.gz XRMKNVNVPFHVCR-UHFFFAOYSA-N 1 2 334.354 3.961 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000342062816 1023813576 /nfs/dbraw/zinc/81/35/76/1023813576.db2.gz NJIMMJSYUNRDEP-UHFFFAOYSA-N 1 2 335.411 3.747 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000684616921 1023840580 /nfs/dbraw/zinc/84/05/80/1023840580.db2.gz GZBINAWSEQCVHT-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000684616921 1023840590 /nfs/dbraw/zinc/84/05/90/1023840590.db2.gz GZBINAWSEQCVHT-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(F)c2)c(C)c1 ZINC000441503139 1023952389 /nfs/dbraw/zinc/95/23/89/1023952389.db2.gz SMSJRZYBICZVTI-IBGZPJMESA-N 1 2 337.398 3.810 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccsc2)c(C)c1 ZINC000441504468 1023957164 /nfs/dbraw/zinc/95/71/64/1023957164.db2.gz YPNOHKRSAXZUFA-QGZVFWFLSA-N 1 2 325.437 3.733 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(F)c1F ZINC000046469138 1033175038 /nfs/dbraw/zinc/17/50/38/1033175038.db2.gz PQMMZZFXDURRFJ-LBPRGKRZSA-N 1 2 340.349 3.537 20 0 EHADLO C[C@H]1CC2(CCC2)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000431558982 1033176797 /nfs/dbraw/zinc/17/67/97/1033176797.db2.gz ROJJHPZCPWXWNG-AWEZNQCLSA-N 1 2 348.516 3.925 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(O)cc1O ZINC000192492282 1024029108 /nfs/dbraw/zinc/02/91/08/1024029108.db2.gz RFVGCYQTFOBYTL-UHFFFAOYSA-N 1 2 349.390 3.550 20 0 EHADLO O=C(CSc1ccccc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514002344 1024044417 /nfs/dbraw/zinc/04/44/17/1024044417.db2.gz VUWFALHWDACYOS-QGZVFWFLSA-N 1 2 346.883 3.605 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000434472939 1024058955 /nfs/dbraw/zinc/05/89/55/1024058955.db2.gz CPNXFRYHXITEFW-IBGZPJMESA-N 1 2 336.439 3.769 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000434481989 1024073266 /nfs/dbraw/zinc/07/32/66/1024073266.db2.gz IFDHJCUHUMJQSB-ZDUSSCGKSA-N 1 2 332.423 3.638 20 0 EHADLO COC[C@@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000443513073 1024079139 /nfs/dbraw/zinc/07/91/39/1024079139.db2.gz UJBRNTSSMJZMJF-SNVBAGLBSA-N 1 2 339.208 3.609 20 0 EHADLO CCCCc1nc(CN2CCN(c3cc(C)cc[nH+]3)CC2)cs1 ZINC000166378780 1024088952 /nfs/dbraw/zinc/08/89/52/1024088952.db2.gz IBPIPNZWGLWBAM-UHFFFAOYSA-N 1 2 330.501 3.511 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000514113350 1024145800 /nfs/dbraw/zinc/14/58/00/1024145800.db2.gz RXTYXCMEUNLFEC-SJORKVTESA-N 1 2 340.467 3.783 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000514113350 1024145815 /nfs/dbraw/zinc/14/58/15/1024145815.db2.gz RXTYXCMEUNLFEC-SJORKVTESA-N 1 2 340.467 3.783 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](Cc1ccccc1)c1sccc1C)C1CC1 ZINC000514121034 1024163606 /nfs/dbraw/zinc/16/36/06/1024163606.db2.gz QXKMPWIFEOFHCG-IRXDYDNUSA-N 1 2 329.465 3.882 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000329775023 1024190652 /nfs/dbraw/zinc/19/06/52/1024190652.db2.gz IYBQULSMAVUQGO-WMZOPIPTSA-N 1 2 341.455 3.688 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000329775023 1024190655 /nfs/dbraw/zinc/19/06/55/1024190655.db2.gz IYBQULSMAVUQGO-WMZOPIPTSA-N 1 2 341.455 3.688 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329816075 1024208101 /nfs/dbraw/zinc/20/81/01/1024208101.db2.gz FGXXZZPFPITSCU-BZPMIXESSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329816075 1024208117 /nfs/dbraw/zinc/20/81/17/1024208117.db2.gz FGXXZZPFPITSCU-BZPMIXESSA-N 1 2 333.457 3.749 20 0 EHADLO Cc1coc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1 ZINC000895289932 1024224949 /nfs/dbraw/zinc/22/49/49/1024224949.db2.gz AJGOAZIXUVZZPE-LJQANCHMSA-N 1 2 343.471 3.794 20 0 EHADLO Cc1coc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1 ZINC000895289932 1024224965 /nfs/dbraw/zinc/22/49/65/1024224965.db2.gz AJGOAZIXUVZZPE-LJQANCHMSA-N 1 2 343.471 3.794 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000231635166 1024236072 /nfs/dbraw/zinc/23/60/72/1024236072.db2.gz DAULFFZVFMPQGQ-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO O=C(c1coc2ccccc12)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329890138 1024237003 /nfs/dbraw/zinc/23/70/03/1024237003.db2.gz FRDLSPHGFXJXLZ-UHFFFAOYSA-N 1 2 349.434 3.985 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CC[NH2+]1 ZINC000505452875 1024237442 /nfs/dbraw/zinc/23/74/42/1024237442.db2.gz GIDQBAJFPWRYSN-APWZRJJASA-N 1 2 344.499 3.775 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cs1 ZINC000053076531 1024238663 /nfs/dbraw/zinc/23/86/63/1024238663.db2.gz SDNHXUHVRCVYQO-MRXNPFEDSA-N 1 2 348.443 3.666 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cs1 ZINC000053076531 1024238681 /nfs/dbraw/zinc/23/86/81/1024238681.db2.gz SDNHXUHVRCVYQO-MRXNPFEDSA-N 1 2 348.443 3.666 20 0 EHADLO Clc1ccc(/C=C/CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000349653009 1024243565 /nfs/dbraw/zinc/24/35/65/1024243565.db2.gz IZABOTMGNZIWEC-ONEGZZNKSA-N 1 2 327.859 3.566 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000342157456 1024253888 /nfs/dbraw/zinc/25/38/88/1024253888.db2.gz GDAQFBNBBAJAHK-UHFFFAOYSA-N 1 2 347.455 3.551 20 0 EHADLO COC1(C)CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000342158332 1024256035 /nfs/dbraw/zinc/25/60/35/1024256035.db2.gz RSSKJHBJUABMGV-UHFFFAOYSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639368 1024289692 /nfs/dbraw/zinc/28/96/92/1024289692.db2.gz NTBZKWWXJGZBBW-GOEBONIOSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639368 1024289705 /nfs/dbraw/zinc/28/97/05/1024289705.db2.gz NTBZKWWXJGZBBW-GOEBONIOSA-N 1 2 344.842 3.820 20 0 EHADLO CC[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CCCC1 ZINC000459118880 1024291206 /nfs/dbraw/zinc/29/12/06/1024291206.db2.gz XTMLXNSGILSTIM-MRXNPFEDSA-N 1 2 333.476 3.817 20 0 EHADLO CN(CCCOCc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342172250 1024296609 /nfs/dbraw/zinc/29/66/09/1024296609.db2.gz USXKQONJICOKGS-UHFFFAOYSA-N 1 2 349.434 3.551 20 0 EHADLO Cc1ccc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)c1 ZINC000425138163 1024304426 /nfs/dbraw/zinc/30/44/26/1024304426.db2.gz ABAPQGXXERFTLQ-HXUWFJFHSA-N 1 2 347.462 3.907 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)oc21 ZINC000505491220 1024345819 /nfs/dbraw/zinc/34/58/19/1024345819.db2.gz MFMKYUCYUCYYES-KRWDZBQOSA-N 1 2 338.382 3.667 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000545969850 1024354332 /nfs/dbraw/zinc/35/43/32/1024354332.db2.gz UFAIZTZUNIMTIM-CQSZACIVSA-N 1 2 339.464 3.785 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c1Br ZINC000430096664 1024362131 /nfs/dbraw/zinc/36/21/31/1024362131.db2.gz AUCFMKDOXHOJGG-AWEZNQCLSA-N 1 2 326.282 3.502 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c1Br ZINC000430096664 1024362145 /nfs/dbraw/zinc/36/21/45/1024362145.db2.gz AUCFMKDOXHOJGG-AWEZNQCLSA-N 1 2 326.282 3.502 20 0 EHADLO c1ccc(NC2CCN(c3nc(C4CCCC4)ns3)CC2)[nH+]c1 ZINC000895350913 1024365712 /nfs/dbraw/zinc/36/57/12/1024365712.db2.gz VMPMQFQMUJPRDH-UHFFFAOYSA-N 1 2 329.473 3.672 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000151673597 1024375250 /nfs/dbraw/zinc/37/52/50/1024375250.db2.gz BRDLESYVKCWGKD-NSHDSACASA-N 1 2 335.249 3.508 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000896889623 1024378937 /nfs/dbraw/zinc/37/89/37/1024378937.db2.gz KMZCSJGQGOPNCR-UHFFFAOYSA-N 1 2 343.858 3.896 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@]1=O ZINC000277268044 1024385894 /nfs/dbraw/zinc/38/58/94/1024385894.db2.gz RIKPDTDTXZVQLW-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@]1=O ZINC000277268044 1024385909 /nfs/dbraw/zinc/38/59/09/1024385909.db2.gz RIKPDTDTXZVQLW-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)C1CCCCC1 ZINC000505505732 1024388756 /nfs/dbraw/zinc/38/87/56/1024388756.db2.gz KDDKMXZALFCGON-KXBFYZLASA-N 1 2 332.463 3.905 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281610274 1024416140 /nfs/dbraw/zinc/41/61/40/1024416140.db2.gz SGVZIEUTUHHMKM-VNQPRFMTSA-N 1 2 344.846 3.508 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H]1Cc1ccccc1 ZINC000425193455 1024432216 /nfs/dbraw/zinc/43/22/16/1024432216.db2.gz KPYJHYHVVKGIIW-UXHICEINSA-N 1 2 345.446 3.775 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000194622711 1024444114 /nfs/dbraw/zinc/44/41/14/1024444114.db2.gz JPHSOQKGBWIUGX-NUJGCVRESA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cccc(C)c1CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425203108 1024444777 /nfs/dbraw/zinc/44/47/77/1024444777.db2.gz QUUATHCDDCNZAA-HXUWFJFHSA-N 1 2 347.462 3.907 20 0 EHADLO Cc1nc(N[C@@H]2CCc3ccc(O)cc32)c(Br)c(C)[nH+]1 ZINC000664450428 1024449611 /nfs/dbraw/zinc/44/96/11/1024449611.db2.gz BNKLPIKWNFIKGD-CYBMUJFWSA-N 1 2 334.217 3.661 20 0 EHADLO c1ccc(OCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000533868163 1024449472 /nfs/dbraw/zinc/44/94/72/1024449472.db2.gz UOEUWVXCJASCRG-GOSISDBHSA-N 1 2 334.423 3.688 20 0 EHADLO c1ccc(OCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000533868163 1024449482 /nfs/dbraw/zinc/44/94/82/1024449482.db2.gz UOEUWVXCJASCRG-GOSISDBHSA-N 1 2 334.423 3.688 20 0 EHADLO CCN(C)C(=O)c1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000342222605 1024463805 /nfs/dbraw/zinc/46/38/05/1024463805.db2.gz UUNMBOOMMKAKKD-UHFFFAOYSA-N 1 2 348.450 3.885 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)n1 ZINC000895406287 1024479520 /nfs/dbraw/zinc/47/95/20/1024479520.db2.gz STDRZKPJUQFJEM-UHFFFAOYSA-N 1 2 343.475 3.638 20 0 EHADLO CCc1ccc([C@@H](NC(=O)NCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000514453298 1024481509 /nfs/dbraw/zinc/48/15/09/1024481509.db2.gz HPKUSNTZBJRVCK-IBGZPJMESA-N 1 2 340.471 3.752 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3cnn(CC4CCC4)c3)CC23CCOCC3)c1 ZINC000895435344 1024495204 /nfs/dbraw/zinc/49/52/04/1024495204.db2.gz ZYLKUJRDHNDJNR-IBGZPJMESA-N 1 2 341.455 3.630 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3cnn(CC4CCC4)c3)CC23CCOCC3)c1 ZINC000895435344 1024495211 /nfs/dbraw/zinc/49/52/11/1024495211.db2.gz ZYLKUJRDHNDJNR-IBGZPJMESA-N 1 2 341.455 3.630 20 0 EHADLO CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCc2ccccc2C1 ZINC000346212887 1024503962 /nfs/dbraw/zinc/50/39/62/1024503962.db2.gz BXRXOWPWNBIRSR-ROUUACIJSA-N 1 2 337.467 3.626 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000190777874 1024505013 /nfs/dbraw/zinc/50/50/13/1024505013.db2.gz ZMVTWYNCWQWFQK-QZTJIDSGSA-N 1 2 340.471 3.847 20 0 EHADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000346195246 1024515700 /nfs/dbraw/zinc/51/57/00/1024515700.db2.gz WIHMAAUESSNXCQ-HNNXBMFYSA-N 1 2 328.378 3.711 20 0 EHADLO CCN(C)C(=O)C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000346195246 1024515707 /nfs/dbraw/zinc/51/57/07/1024515707.db2.gz WIHMAAUESSNXCQ-HNNXBMFYSA-N 1 2 328.378 3.711 20 0 EHADLO Cc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2n[nH]cc21 ZINC000342236291 1024518388 /nfs/dbraw/zinc/51/83/88/1024518388.db2.gz UFVHNLADUDFFTJ-OAHLLOKOSA-N 1 2 345.406 3.755 20 0 EHADLO CC(C)Oc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000346197294 1024520280 /nfs/dbraw/zinc/52/02/80/1024520280.db2.gz DZEOXEQRMOJFKA-UHFFFAOYSA-N 1 2 347.378 3.772 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000895456964 1024520821 /nfs/dbraw/zinc/52/08/21/1024520821.db2.gz BGBJRCZSBFEFQG-GFCCVEGCSA-N 1 2 339.361 3.823 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1c1ccccc1Cl ZINC000346226170 1024539927 /nfs/dbraw/zinc/53/99/27/1024539927.db2.gz VOBSHYPWOVYTOX-CZUORRHYSA-N 1 2 329.831 3.847 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC(C)(C)C3)n2)C1 ZINC000664461690 1024541208 /nfs/dbraw/zinc/54/12/08/1024541208.db2.gz CUAVPQOUGYZJLH-GFCCVEGCSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC(C)(C)C3)n2)C1 ZINC000664461690 1024541219 /nfs/dbraw/zinc/54/12/19/1024541219.db2.gz CUAVPQOUGYZJLH-GFCCVEGCSA-N 1 2 336.505 3.685 20 0 EHADLO CCn1nc(CNC[C@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc21 ZINC000472062526 1024542165 /nfs/dbraw/zinc/54/21/65/1024542165.db2.gz KJFAKKGVLGKATQ-HXUWFJFHSA-N 1 2 340.446 3.588 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3cccc4c3NCCC4)c2C1 ZINC000895473006 1024546682 /nfs/dbraw/zinc/54/66/82/1024546682.db2.gz MDEZGQAKWCIJKL-UHFFFAOYSA-N 1 2 325.456 3.837 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346273297 1024564396 /nfs/dbraw/zinc/56/43/96/1024564396.db2.gz BTTMCBDBWZMWJY-UHFFFAOYSA-N 1 2 346.434 3.875 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000342251922 1024569317 /nfs/dbraw/zinc/56/93/17/1024569317.db2.gz RBWCQWIOWBSYLK-UHFFFAOYSA-N 1 2 338.402 3.778 20 0 EHADLO C[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000346254565 1024574931 /nfs/dbraw/zinc/57/49/31/1024574931.db2.gz VXZVKPBJYASMMW-VXGQWTEUSA-N 1 2 343.393 3.661 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459759 1024580794 /nfs/dbraw/zinc/58/07/94/1024580794.db2.gz ZFVSRZLDUUFREA-HUUCEWRRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459759 1024580805 /nfs/dbraw/zinc/58/08/05/1024580805.db2.gz ZFVSRZLDUUFREA-HUUCEWRRSA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCC(O)CC1 ZINC000346259588 1024581392 /nfs/dbraw/zinc/58/13/92/1024581392.db2.gz WSPGZEWNQKJZED-UHFFFAOYSA-N 1 2 345.418 3.527 20 0 EHADLO Brc1ccc2c(cc[nH+]c2N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000514600704 1024598613 /nfs/dbraw/zinc/59/86/13/1024598613.db2.gz SZNZKPMHMFKRSF-DOMZBBRYSA-N 1 2 333.229 3.613 20 0 EHADLO COC(=O)c1cnc([C@@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)s1 ZINC000425274976 1024619257 /nfs/dbraw/zinc/61/92/57/1024619257.db2.gz SJVNUKYPDIYEBW-LLVKDONJSA-N 1 2 348.472 3.562 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1 ZINC000505613135 1024632904 /nfs/dbraw/zinc/63/29/04/1024632904.db2.gz OIMIGSAIERONJC-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342271687 1024660585 /nfs/dbraw/zinc/66/05/85/1024660585.db2.gz MGAUCGXIVYDAJT-UHFFFAOYSA-N 1 2 349.419 3.635 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2c(Cl)cccc2Cl)c[nH+]1 ZINC000895640045 1024684383 /nfs/dbraw/zinc/68/43/83/1024684383.db2.gz RTABVKBZXWRNDC-UHFFFAOYSA-N 1 2 340.254 3.892 20 0 EHADLO Clc1ccccc1OC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000157006110 1024697119 /nfs/dbraw/zinc/69/71/19/1024697119.db2.gz AAYFGOJRDDGKRH-CYBMUJFWSA-N 1 2 347.846 3.891 20 0 EHADLO Clc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000157006110 1024697121 /nfs/dbraw/zinc/69/71/21/1024697121.db2.gz AAYFGOJRDDGKRH-CYBMUJFWSA-N 1 2 347.846 3.891 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474289997 1024698575 /nfs/dbraw/zinc/69/85/75/1024698575.db2.gz NWIFSMJJWKFSEG-IEBWSBKVSA-N 1 2 330.472 3.674 20 0 EHADLO CCn1c[nH+]cc1CN(CCc1ccc(C)cc1)CC(F)(F)F ZINC000417794633 1024709403 /nfs/dbraw/zinc/70/94/03/1024709403.db2.gz PLEQSKGGDJBRNS-UHFFFAOYSA-N 1 2 325.378 3.818 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000114705009 1024744916 /nfs/dbraw/zinc/74/49/16/1024744916.db2.gz OWFIFFWECNLPRV-ZWKOTPCHSA-N 1 2 343.515 3.893 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000342292156 1024749968 /nfs/dbraw/zinc/74/99/68/1024749968.db2.gz FRTRLFRABZJHTK-JLTOFOAXSA-N 1 2 337.398 3.682 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000346424529 1024752335 /nfs/dbraw/zinc/75/23/35/1024752335.db2.gz UEADUXCWGKYHLS-KZNAEPCWSA-N 1 2 335.492 3.544 20 0 EHADLO CC1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346480943 1024766508 /nfs/dbraw/zinc/76/65/08/1024766508.db2.gz GZRPOVMPNDOBMP-FQEVSTJZSA-N 1 2 327.447 3.632 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725996 1024772101 /nfs/dbraw/zinc/77/21/01/1024772101.db2.gz RIUSJYILOKBQKG-RMKNXTFCSA-N 1 2 345.296 3.802 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000505661625 1024778371 /nfs/dbraw/zinc/77/83/71/1024778371.db2.gz NINZWQURVSVKRA-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000505661625 1024778385 /nfs/dbraw/zinc/77/83/85/1024778385.db2.gz NINZWQURVSVKRA-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO Cc1ccc(-c2csc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000505660778 1024778444 /nfs/dbraw/zinc/77/84/44/1024778444.db2.gz LTJDFQLMAUTZAC-UHFFFAOYSA-N 1 2 334.510 3.684 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000505661269 1024779015 /nfs/dbraw/zinc/77/90/15/1024779015.db2.gz MMGZFFYCURTDPD-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000505661269 1024779025 /nfs/dbraw/zinc/77/90/25/1024779025.db2.gz MMGZFFYCURTDPD-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(F)c1 ZINC000425336535 1024779636 /nfs/dbraw/zinc/77/96/36/1024779636.db2.gz LPNLYRXILIZKGS-ZDUSSCGKSA-N 1 2 333.382 3.913 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(F)c1 ZINC000425336535 1024779640 /nfs/dbraw/zinc/77/96/40/1024779640.db2.gz LPNLYRXILIZKGS-ZDUSSCGKSA-N 1 2 333.382 3.913 20 0 EHADLO CC(C)[C@H]1C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326549 1024784531 /nfs/dbraw/zinc/78/45/31/1024784531.db2.gz JANFSJBDWZUKBT-MSOLQXFVSA-N 1 2 345.874 3.857 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCN(CC(F)(F)F)c2ccccc21 ZINC000425344025 1024813703 /nfs/dbraw/zinc/81/37/03/1024813703.db2.gz IPPLYEDFXJSIMA-UHFFFAOYSA-N 1 2 338.377 3.853 20 0 EHADLO Cc1cc([C@H]([NH2+][C@H](CCO)c2ccco2)c2cccnc2)ccc1F ZINC000346537043 1024839498 /nfs/dbraw/zinc/83/94/98/1024839498.db2.gz JBLLITMETDWRTO-QUCCMNQESA-N 1 2 340.398 3.925 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C1CC1)C(F)(F)F)Cc1ccccc1Cl ZINC000514883892 1024848671 /nfs/dbraw/zinc/84/86/71/1024848671.db2.gz DWOAVUBOCOIRPF-OAHLLOKOSA-N 1 2 348.796 3.619 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C1CC1)C(F)(F)F)Cc1ccccc1Cl ZINC000514883892 1024848682 /nfs/dbraw/zinc/84/86/82/1024848682.db2.gz DWOAVUBOCOIRPF-OAHLLOKOSA-N 1 2 348.796 3.619 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000427869918 1024855309 /nfs/dbraw/zinc/85/53/09/1024855309.db2.gz XJBXWIURNCYGAF-CYBMUJFWSA-N 1 2 340.402 3.574 20 0 EHADLO C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346570274 1024875452 /nfs/dbraw/zinc/87/54/52/1024875452.db2.gz JDXWYAMRQCMCIR-HNNXBMFYSA-N 1 2 347.422 3.575 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000895837865 1024881537 /nfs/dbraw/zinc/88/15/37/1024881537.db2.gz QSMBQJCYAADXAV-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000895837865 1024881546 /nfs/dbraw/zinc/88/15/46/1024881546.db2.gz QSMBQJCYAADXAV-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO OCc1cccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346547036 1024884395 /nfs/dbraw/zinc/88/43/95/1024884395.db2.gz AZXXOCFPVQIFBE-FQEVSTJZSA-N 1 2 340.373 3.731 20 0 EHADLO OCC[C@H]([NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)c1ccco1 ZINC000346553436 1024891906 /nfs/dbraw/zinc/89/19/06/1024891906.db2.gz AGKAIRLQRKCUTO-HKUYNNGSSA-N 1 2 326.371 3.616 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1OC(F)F ZINC000657307630 1024902509 /nfs/dbraw/zinc/90/25/09/1024902509.db2.gz RMZOQFZTEQNFOR-OAHLLOKOSA-N 1 2 336.386 3.845 20 0 EHADLO Oc1cccc2c(N3CCC[C@@H](c4ncc5n4CCCC5)C3)cc[nH+]c12 ZINC000669660239 1033244397 /nfs/dbraw/zinc/24/43/97/1033244397.db2.gz HLZCONWQIXBLPD-OAHLLOKOSA-N 1 2 348.450 3.857 20 0 EHADLO COc1cc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211885479 1024931908 /nfs/dbraw/zinc/93/19/08/1024931908.db2.gz PNPLVYMVNRUFPN-CVEARBPZSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000346600345 1024937891 /nfs/dbraw/zinc/93/78/91/1024937891.db2.gz FZCMJMSZBDKFEO-KGLIPLIRSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000346600345 1024937898 /nfs/dbraw/zinc/93/78/98/1024937898.db2.gz FZCMJMSZBDKFEO-KGLIPLIRSA-N 1 2 334.847 3.939 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000505698659 1024939248 /nfs/dbraw/zinc/93/92/48/1024939248.db2.gz ADSFBQFFIWMHPT-OALUTQOASA-N 1 2 325.456 3.876 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCS2 ZINC000157528735 1024942580 /nfs/dbraw/zinc/94/25/80/1024942580.db2.gz DSJIVHAHAGPZNR-CQSZACIVSA-N 1 2 348.903 3.985 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)o1 ZINC000115611210 1024946496 /nfs/dbraw/zinc/94/64/96/1024946496.db2.gz FVGNJGPQQDKEHT-LJQANCHMSA-N 1 2 338.382 3.710 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000607643869 1033247589 /nfs/dbraw/zinc/24/75/89/1033247589.db2.gz JUJAHHSCQBJMIV-LNLFQRSKSA-N 1 2 344.499 3.727 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000508203460 1024960964 /nfs/dbraw/zinc/96/09/64/1024960964.db2.gz ALMZPEKRSBSRSU-UHFFFAOYSA-N 1 2 334.508 3.522 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC12CCCC2 ZINC000474442672 1024963856 /nfs/dbraw/zinc/96/38/56/1024963856.db2.gz ZEVJJGMGMRSNDX-GOSISDBHSA-N 1 2 341.499 3.727 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2cccc(Br)c2)c(C)[nH+]1 ZINC000097039912 1024968601 /nfs/dbraw/zinc/96/86/01/1024968601.db2.gz VYRHXAYIOXRPNX-UHFFFAOYSA-N 1 2 349.228 3.787 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccsc2)O1 ZINC000892139827 1024978865 /nfs/dbraw/zinc/97/88/65/1024978865.db2.gz FGSMYQGVTQSMSE-ABAIWWIYSA-N 1 2 330.409 3.557 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccsc2)O1 ZINC000892139827 1024978875 /nfs/dbraw/zinc/97/88/75/1024978875.db2.gz FGSMYQGVTQSMSE-ABAIWWIYSA-N 1 2 330.409 3.557 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000342344940 1025001135 /nfs/dbraw/zinc/00/11/35/1025001135.db2.gz UESXRSSEIOXXNO-KRWDZBQOSA-N 1 2 343.427 3.822 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3nc(C(C)(C)C)co3)[C@@H]2C(C)C)C1 ZINC000895987361 1025044715 /nfs/dbraw/zinc/04/47/15/1025044715.db2.gz DSJJQKMRWIMGHE-MRXNPFEDSA-N 1 2 336.476 3.582 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3nc(C(C)(C)C)co3)[C@@H]2C(C)C)C1 ZINC000895987361 1025044724 /nfs/dbraw/zinc/04/47/24/1025044724.db2.gz DSJJQKMRWIMGHE-MRXNPFEDSA-N 1 2 336.476 3.582 20 0 EHADLO Fc1c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cccc1OC1CC1 ZINC000657316068 1025062508 /nfs/dbraw/zinc/06/25/08/1025062508.db2.gz HSINVILAUONOQR-CQSZACIVSA-N 1 2 347.352 3.910 20 0 EHADLO Fc1c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cccc1OC1CC1 ZINC000657316068 1025062517 /nfs/dbraw/zinc/06/25/17/1025062517.db2.gz HSINVILAUONOQR-CQSZACIVSA-N 1 2 347.352 3.910 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@]1=O ZINC000277425663 1025066573 /nfs/dbraw/zinc/06/65/73/1025066573.db2.gz IKDYYQQNMHKCTQ-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@]1=O ZINC000277425663 1025066587 /nfs/dbraw/zinc/06/65/87/1025066587.db2.gz IKDYYQQNMHKCTQ-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000435688338 1025080518 /nfs/dbraw/zinc/08/05/18/1025080518.db2.gz OFJYGCUZLJUKJE-LPHOPBHVSA-N 1 2 346.434 3.633 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001270979576 1025083690 /nfs/dbraw/zinc/08/36/90/1025083690.db2.gz XEPXOWUPHJSFLH-CALCHBBNSA-N 1 2 349.434 3.558 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001270979576 1025083705 /nfs/dbraw/zinc/08/37/05/1025083705.db2.gz XEPXOWUPHJSFLH-CALCHBBNSA-N 1 2 349.434 3.558 20 0 EHADLO C[C@]1(F)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346752523 1025089592 /nfs/dbraw/zinc/08/95/92/1025089592.db2.gz FYIKXEAHTYVSOH-IBGZPJMESA-N 1 2 340.402 3.568 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000435706937 1025091277 /nfs/dbraw/zinc/09/12/77/1025091277.db2.gz UNGDOTAPCGOCHA-PBHICJAKSA-N 1 2 346.862 3.862 20 0 EHADLO O=C(N[C@H]1CSc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346784115 1025096615 /nfs/dbraw/zinc/09/66/15/1025096615.db2.gz ZDUBVEVANXDYDS-KRWDZBQOSA-N 1 2 335.432 3.508 20 0 EHADLO CC(C)c1cc(NC[C@@H]2CCC3(CCOCC3)O2)nc(C(C)C)[nH+]1 ZINC000896175293 1025206327 /nfs/dbraw/zinc/20/63/27/1025206327.db2.gz KWEFRZHUZLGALL-HNNXBMFYSA-N 1 2 333.476 3.864 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277467541 1025209529 /nfs/dbraw/zinc/20/95/29/1025209529.db2.gz NBRLHRFLIXAANO-INIZCTEOSA-N 1 2 330.453 3.545 20 0 EHADLO Cc1nscc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277467788 1025210471 /nfs/dbraw/zinc/21/04/71/1025210471.db2.gz AJUFKPRNZJYJDB-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000435916068 1025215937 /nfs/dbraw/zinc/21/59/37/1025215937.db2.gz TUFCYZKNBPOPEV-LJQANCHMSA-N 1 2 340.471 3.509 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000428324640 1025216671 /nfs/dbraw/zinc/21/66/71/1025216671.db2.gz YGRBTVNOVPFHIP-CYBMUJFWSA-N 1 2 332.448 3.576 20 0 EHADLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000657330948 1025229551 /nfs/dbraw/zinc/22/95/51/1025229551.db2.gz IJGKMXCOHVNISM-UHFFFAOYSA-N 1 2 328.460 3.738 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)C(C)(C)C ZINC000934292612 1025290595 /nfs/dbraw/zinc/29/05/95/1025290595.db2.gz PMTLXOQSXJRLPZ-LJQANCHMSA-N 1 2 335.455 3.848 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)c1ncc(Br)cn1 ZINC000346893584 1025291482 /nfs/dbraw/zinc/29/14/82/1025291482.db2.gz VGCUSZITXWGKLN-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)c1ncc(Br)cn1 ZINC000346893584 1025291495 /nfs/dbraw/zinc/29/14/95/1025291495.db2.gz VGCUSZITXWGKLN-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(C(C)C)nc1C ZINC000281637357 1025301982 /nfs/dbraw/zinc/30/19/82/1025301982.db2.gz OTNSDYRGILHHFW-UHFFFAOYSA-N 1 2 342.487 3.932 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(C(C)C)nc1C ZINC000281637357 1025301989 /nfs/dbraw/zinc/30/19/89/1025301989.db2.gz OTNSDYRGILHHFW-UHFFFAOYSA-N 1 2 342.487 3.932 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000346916712 1025311010 /nfs/dbraw/zinc/31/10/10/1025311010.db2.gz SHTTZBZQZRVZCM-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO Cn1c(NCc2c[nH]nc2-c2ccsc2)[nH+]c2cccc(Cl)c21 ZINC000436016477 1025315949 /nfs/dbraw/zinc/31/59/49/1025315949.db2.gz KLQWQJIHJHCYOT-UHFFFAOYSA-N 1 2 343.843 3.712 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452245 1025319863 /nfs/dbraw/zinc/31/98/63/1025319863.db2.gz CMTNEPPXEUDBFA-JKSUJKDBSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452245 1025319875 /nfs/dbraw/zinc/31/98/75/1025319875.db2.gz CMTNEPPXEUDBFA-JKSUJKDBSA-N 1 2 329.362 3.504 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000285351835 1025328110 /nfs/dbraw/zinc/32/81/10/1025328110.db2.gz ATQCVISJNCZVMY-UHFFFAOYSA-N 1 2 328.441 3.835 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451286 1025343447 /nfs/dbraw/zinc/34/34/47/1025343447.db2.gz XRQGSJXLAGXWSA-WMLDXEAASA-N 1 2 338.879 3.806 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451286 1025343461 /nfs/dbraw/zinc/34/34/61/1025343461.db2.gz XRQGSJXLAGXWSA-WMLDXEAASA-N 1 2 338.879 3.806 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1F ZINC000607746485 1033278173 /nfs/dbraw/zinc/27/81/73/1033278173.db2.gz RQYVIKSGOUAXSK-YJYMSZOUSA-N 1 2 333.378 3.935 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1F ZINC000607746485 1033278182 /nfs/dbraw/zinc/27/81/82/1033278182.db2.gz RQYVIKSGOUAXSK-YJYMSZOUSA-N 1 2 333.378 3.935 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425460558 1025364769 /nfs/dbraw/zinc/36/47/69/1025364769.db2.gz QWGGBUFOIWCJGP-QPUJVOFHSA-N 1 2 331.750 3.526 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1nncn1C ZINC000285521480 1025382648 /nfs/dbraw/zinc/38/26/48/1025382648.db2.gz OIZUQRQRLLVLTG-CYBMUJFWSA-N 1 2 346.784 3.974 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccco2)CC[C@H]1C(F)(F)F ZINC000896372643 1025388705 /nfs/dbraw/zinc/38/87/05/1025388705.db2.gz YNDDKIZXESUMNB-OLZOCXBDSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccco2)CC[C@H]1C(F)(F)F ZINC000896372643 1025388719 /nfs/dbraw/zinc/38/87/19/1025388719.db2.gz YNDDKIZXESUMNB-OLZOCXBDSA-N 1 2 348.365 3.557 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(CCCOC(C)C)no2)c1 ZINC000346989622 1025392792 /nfs/dbraw/zinc/39/27/92/1025392792.db2.gz OHHHRPHBTCDUOS-UHFFFAOYSA-N 1 2 326.400 3.588 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(SC2CC2)cc1 ZINC000347012462 1025407681 /nfs/dbraw/zinc/40/76/81/1025407681.db2.gz HQGMTSZVLUMACS-UHFFFAOYSA-N 1 2 341.480 3.746 20 0 EHADLO Cc1ccccc1C([NH2+]Cc1ncnn1CCF)c1ccccc1C ZINC000281722149 1025410400 /nfs/dbraw/zinc/41/04/00/1025410400.db2.gz VLCHSBXBFIYRRC-UHFFFAOYSA-N 1 2 338.430 3.744 20 0 EHADLO O=C(c1ccc(Cl)c2occc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000934316530 1025417172 /nfs/dbraw/zinc/41/71/72/1025417172.db2.gz OAMCSSOQYZDHAK-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO O=C(c1ccc(Cl)c2occc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000934316530 1025417183 /nfs/dbraw/zinc/41/71/83/1025417183.db2.gz OAMCSSOQYZDHAK-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO COC(=O)[C@H](CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1)c1ccccc1 ZINC000425476970 1025417913 /nfs/dbraw/zinc/41/79/13/1025417913.db2.gz NRTUQKRKOTZHHK-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO COC(=O)[C@H](CC[N@H+]1Cc2ccc(C(C)=O)cc2C1)c1ccccc1 ZINC000425476970 1025417916 /nfs/dbraw/zinc/41/79/16/1025417916.db2.gz NRTUQKRKOTZHHK-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCSC1 ZINC000436158890 1025425386 /nfs/dbraw/zinc/42/53/86/1025425386.db2.gz DNSRARQVNJGFCL-AWEZNQCLSA-N 1 2 327.453 3.578 20 0 EHADLO FC(F)(F)C1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1 ZINC000505768685 1025431279 /nfs/dbraw/zinc/43/12/79/1025431279.db2.gz ZQYDFOIHAIDYAA-UHFFFAOYSA-N 1 2 347.344 3.960 20 0 EHADLO CC1(C)OCc2cc(C[NH2+][C@@H]3c4ccccc4OC[C@@H]3F)ccc2O1 ZINC000896421849 1025433488 /nfs/dbraw/zinc/43/34/88/1025433488.db2.gz CVAFEDOIAKKQFW-QFBILLFUSA-N 1 2 343.398 3.893 20 0 EHADLO CC(C)CC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000442733125 1025443964 /nfs/dbraw/zinc/44/39/64/1025443964.db2.gz XXODQQMAONSDJH-MRXNPFEDSA-N 1 2 332.463 3.857 20 0 EHADLO COc1ccncc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000347041531 1025455201 /nfs/dbraw/zinc/45/52/01/1025455201.db2.gz YVSJJIUVZJJRQT-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccncc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000347041531 1025455208 /nfs/dbraw/zinc/45/52/08/1025455208.db2.gz YVSJJIUVZJJRQT-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000684776797 1025455492 /nfs/dbraw/zinc/45/54/92/1025455492.db2.gz URGQAMSSYLYKNO-LSDHHAIUSA-N 1 2 326.787 3.665 20 0 EHADLO CC1=CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000436262550 1025521108 /nfs/dbraw/zinc/52/11/08/1025521108.db2.gz QLMFXJKOYIWSFR-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000436262550 1025521117 /nfs/dbraw/zinc/52/11/17/1025521117.db2.gz QLMFXJKOYIWSFR-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000425507119 1025544168 /nfs/dbraw/zinc/54/41/68/1025544168.db2.gz DLXXXWVXTJDFOE-UHFFFAOYSA-N 1 2 336.867 3.720 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C2CC2)c1 ZINC000451117048 1025556661 /nfs/dbraw/zinc/55/66/61/1025556661.db2.gz SPTSXZAYLDSTEP-LLVKDONJSA-N 1 2 334.261 3.911 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442882660 1025563373 /nfs/dbraw/zinc/56/33/73/1025563373.db2.gz FFJVOKXGHVIABG-CYBMUJFWSA-N 1 2 338.879 3.865 20 0 EHADLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000442885910 1025568845 /nfs/dbraw/zinc/56/88/45/1025568845.db2.gz MQQWWIWGGOOJSQ-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000442885910 1025568858 /nfs/dbraw/zinc/56/88/58/1025568858.db2.gz MQQWWIWGGOOJSQ-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000515775684 1025584835 /nfs/dbraw/zinc/58/48/35/1025584835.db2.gz RHLRZIDHRVPQJX-QGZVFWFLSA-N 1 2 331.481 3.770 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000515775684 1025584840 /nfs/dbraw/zinc/58/48/40/1025584840.db2.gz RHLRZIDHRVPQJX-QGZVFWFLSA-N 1 2 331.481 3.770 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451146152 1025596874 /nfs/dbraw/zinc/59/68/74/1025596874.db2.gz MCUZSINXHQWIRG-HOSYDEDBSA-N 1 2 348.365 3.711 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451146152 1025596886 /nfs/dbraw/zinc/59/68/86/1025596886.db2.gz MCUZSINXHQWIRG-HOSYDEDBSA-N 1 2 348.365 3.711 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000469831692 1025628681 /nfs/dbraw/zinc/62/86/81/1025628681.db2.gz PTPKKIYHDZANTD-FQMFCJFBSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000469831692 1025628687 /nfs/dbraw/zinc/62/86/87/1025628687.db2.gz PTPKKIYHDZANTD-FQMFCJFBSA-N 1 2 327.255 3.640 20 0 EHADLO COc1cccc(C)c1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530310290 1025633368 /nfs/dbraw/zinc/63/33/68/1025633368.db2.gz SOVIDUHBTDBDCN-CYBMUJFWSA-N 1 2 327.428 3.594 20 0 EHADLO COc1cccc(C)c1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530310290 1025633388 /nfs/dbraw/zinc/63/33/88/1025633388.db2.gz SOVIDUHBTDBDCN-CYBMUJFWSA-N 1 2 327.428 3.594 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056204 1025696023 /nfs/dbraw/zinc/69/60/23/1025696023.db2.gz FKEITTYRBUWLDV-QZTJIDSGSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056204 1025696030 /nfs/dbraw/zinc/69/60/30/1025696030.db2.gz FKEITTYRBUWLDV-QZTJIDSGSA-N 1 2 341.854 3.794 20 0 EHADLO Fc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)c(C(F)(F)F)c1 ZINC000896598645 1025702597 /nfs/dbraw/zinc/70/25/97/1025702597.db2.gz DAVHKMANVNYEAG-AWEZNQCLSA-N 1 2 325.309 3.875 20 0 EHADLO COc1ccc2nc(CNc3ccc(N4CCCC4)[nH+]c3)sc2c1 ZINC000530382731 1025717921 /nfs/dbraw/zinc/71/79/21/1025717921.db2.gz PJGBZYDIQBRBKH-UHFFFAOYSA-N 1 2 340.452 3.912 20 0 EHADLO Cc1ccc([C@H](Nc2nc(N)c3ccccc3[nH+]2)c2ccccn2)cc1 ZINC000530379106 1025729183 /nfs/dbraw/zinc/72/91/83/1025729183.db2.gz UOYBEWXDZJBWRK-IBGZPJMESA-N 1 2 341.418 3.947 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257003 1025730637 /nfs/dbraw/zinc/73/06/37/1025730637.db2.gz FRNHSZIIHQNZCN-OMWUSAIZSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257003 1025730652 /nfs/dbraw/zinc/73/06/52/1025730652.db2.gz FRNHSZIIHQNZCN-OMWUSAIZSA-N 1 2 335.369 3.826 20 0 EHADLO CC1(C)C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccccc2O1 ZINC000121734268 1025740522 /nfs/dbraw/zinc/74/05/22/1025740522.db2.gz DTTIWLMAXGQBBN-GOSISDBHSA-N 1 2 347.418 3.905 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc([S@](C)=O)cc1 ZINC000342475089 1025743309 /nfs/dbraw/zinc/74/33/09/1025743309.db2.gz YCQJBJMRGCXHQM-BSEYFRJRSA-N 1 2 340.448 3.930 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249407 1025745188 /nfs/dbraw/zinc/74/51/88/1025745188.db2.gz NJPIENZLFOZBNZ-DYVFJYSZSA-N 1 2 328.485 3.720 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249407 1025745196 /nfs/dbraw/zinc/74/51/96/1025745196.db2.gz NJPIENZLFOZBNZ-DYVFJYSZSA-N 1 2 328.485 3.720 20 0 EHADLO CC(C)[C@H](CNc1cccc(CN2CCOCC2)[nH+]1)c1ccccc1 ZINC000474882090 1025755661 /nfs/dbraw/zinc/75/56/61/1025755661.db2.gz YHWSNVXOSREFQO-FQEVSTJZSA-N 1 2 339.483 3.766 20 0 EHADLO C[C@@H](CC(=O)N1CCC(Cc2cc(F)ccc2F)CC1)n1cc[nH+]c1 ZINC000521887103 1025762341 /nfs/dbraw/zinc/76/23/41/1025762341.db2.gz ZLXJCIJNESORSQ-AWEZNQCLSA-N 1 2 347.409 3.594 20 0 EHADLO C[C@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000081318758 1025764036 /nfs/dbraw/zinc/76/40/36/1025764036.db2.gz WHKOZGKHBPHYDF-WMLDXEAASA-N 1 2 339.464 3.685 20 0 EHADLO Cc1cccn2cc(Cc3nc(C[C@@H](C)c4ccccc4)no3)[nH+]c12 ZINC000546470182 1025778858 /nfs/dbraw/zinc/77/88/58/1025778858.db2.gz VGDAHERGWBJOGH-OAHLLOKOSA-N 1 2 332.407 3.963 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](CCCO)c2ccccc2)c(C)[nH+]1 ZINC000436500276 1025779200 /nfs/dbraw/zinc/77/92/00/1025779200.db2.gz ZBABJPPQVMHLGK-QGZVFWFLSA-N 1 2 327.428 3.642 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000444153256 1025788665 /nfs/dbraw/zinc/78/86/65/1025788665.db2.gz XQUQWLKRDHHUCI-WMZOPIPTSA-N 1 2 344.503 3.518 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1c(Cl)ccc2cccnc21 ZINC000347277810 1025795815 /nfs/dbraw/zinc/79/58/15/1025795815.db2.gz UXWFWIIJGWGGMN-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1c(Cl)ccc2cccnc21 ZINC000347277810 1025795828 /nfs/dbraw/zinc/79/58/28/1025795828.db2.gz UXWFWIIJGWGGMN-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000515964418 1025796982 /nfs/dbraw/zinc/79/69/82/1025796982.db2.gz NJLCNYJIGYDMMQ-KSSFIOAISA-N 1 2 335.407 3.578 20 0 EHADLO C[C@@H](c1nc(CCC(F)(F)F)no1)[N@@H+]1CCc2ccccc2C1 ZINC000443198360 1025802573 /nfs/dbraw/zinc/80/25/73/1025802573.db2.gz OEJMRFINTPKJNQ-NSHDSACASA-N 1 2 325.334 3.684 20 0 EHADLO C[C@@H](c1nc(CCC(F)(F)F)no1)[N@H+]1CCc2ccccc2C1 ZINC000443198360 1025802597 /nfs/dbraw/zinc/80/25/97/1025802597.db2.gz OEJMRFINTPKJNQ-NSHDSACASA-N 1 2 325.334 3.684 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000684820699 1025831469 /nfs/dbraw/zinc/83/14/69/1025831469.db2.gz FPTKCQTWOULDDJ-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684820835 1025855180 /nfs/dbraw/zinc/85/51/80/1025855180.db2.gz PCQPWUNHYPMDAF-GFCCVEGCSA-N 1 2 329.400 3.840 20 0 EHADLO O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccn2cc[nH+]c2c1 ZINC000684821096 1025858673 /nfs/dbraw/zinc/85/86/73/1025858673.db2.gz NIAASPCOORBIHD-UHFFFAOYSA-N 1 2 346.390 3.951 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)s1 ZINC000451359227 1025865607 /nfs/dbraw/zinc/86/56/07/1025865607.db2.gz VUIJZEASODQVRU-CQSZACIVSA-N 1 2 341.839 3.970 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)[nH+]c1C ZINC000896905664 1025868631 /nfs/dbraw/zinc/86/86/31/1025868631.db2.gz JBPXMDMYCLVNKN-UHFFFAOYSA-N 1 2 331.725 3.629 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=S)NC2(C)CCC2)c(C)c1 ZINC000840737798 1025873828 /nfs/dbraw/zinc/87/38/28/1025873828.db2.gz QUTHRDQQBNDLBZ-QGZVFWFLSA-N 1 2 342.512 3.648 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)s1 ZINC000522034786 1025899570 /nfs/dbraw/zinc/89/95/70/1025899570.db2.gz GKIPJTWRURRVTC-ZWKOTPCHSA-N 1 2 347.455 3.934 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)s1 ZINC000522034786 1025899586 /nfs/dbraw/zinc/89/95/86/1025899586.db2.gz GKIPJTWRURRVTC-ZWKOTPCHSA-N 1 2 347.455 3.934 20 0 EHADLO CC1(C)C[N@H+](CC(=O)c2c[nH]c3ccccc32)CC2(CCCC2)O1 ZINC000443314006 1025902083 /nfs/dbraw/zinc/90/20/83/1025902083.db2.gz BQMIQZYWBGMKKO-UHFFFAOYSA-N 1 2 326.440 3.774 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)c2c[nH]c3ccccc32)CC2(CCCC2)O1 ZINC000443314006 1025902098 /nfs/dbraw/zinc/90/20/98/1025902098.db2.gz BQMIQZYWBGMKKO-UHFFFAOYSA-N 1 2 326.440 3.774 20 0 EHADLO C[N@H+](Cc1ccncc1)Cc1cc(F)c(Br)cc1F ZINC001141910206 1025928313 /nfs/dbraw/zinc/92/83/13/1025928313.db2.gz MHIRVQKAQVDFAX-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO C[N@@H+](Cc1ccncc1)Cc1cc(F)c(Br)cc1F ZINC001141910206 1025928325 /nfs/dbraw/zinc/92/83/25/1025928325.db2.gz MHIRVQKAQVDFAX-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000522092802 1025962569 /nfs/dbraw/zinc/96/25/69/1025962569.db2.gz PSYYBRSLYRGSMO-UONOGXRCSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000522092802 1025962581 /nfs/dbraw/zinc/96/25/81/1025962581.db2.gz PSYYBRSLYRGSMO-UONOGXRCSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](CC)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000119799457 1025991396 /nfs/dbraw/zinc/99/13/96/1025991396.db2.gz GMJNYXBADNBIKQ-GOSISDBHSA-N 1 2 345.874 3.824 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000119799457 1025991408 /nfs/dbraw/zinc/99/14/08/1025991408.db2.gz GMJNYXBADNBIKQ-GOSISDBHSA-N 1 2 345.874 3.824 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451460597 1026007619 /nfs/dbraw/zinc/00/76/19/1026007619.db2.gz HYDNDBNXKLPATG-QGZVFWFLSA-N 1 2 331.423 3.856 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451460597 1026007637 /nfs/dbraw/zinc/00/76/37/1026007637.db2.gz HYDNDBNXKLPATG-QGZVFWFLSA-N 1 2 331.423 3.856 20 0 EHADLO ClC1(Cl)C[C@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000896797558 1026038357 /nfs/dbraw/zinc/03/83/57/1026038357.db2.gz HSUAZHYVMWZBQJ-LBPRGKRZSA-N 1 2 335.194 3.643 20 0 EHADLO c1cn(-c2cccc(NCc3ccc(O[C@@H]4CCOC4)cc3)c2)c[nH+]1 ZINC000657406934 1026043202 /nfs/dbraw/zinc/04/32/02/1026043202.db2.gz NLHRVOJXGRBVBQ-HXUWFJFHSA-N 1 2 335.407 3.652 20 0 EHADLO C[C@@H](c1nncn1C)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451530939 1026052992 /nfs/dbraw/zinc/05/29/92/1026052992.db2.gz QHDVINMTVPZWDP-ZDUSSCGKSA-N 1 2 336.842 3.576 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc(OC)c1O ZINC000326877842 1026097674 /nfs/dbraw/zinc/09/76/74/1026097674.db2.gz FWKCKTGSYBDWGS-IBGZPJMESA-N 1 2 339.391 3.882 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451556890 1026108202 /nfs/dbraw/zinc/10/82/02/1026108202.db2.gz DUFBUQRVEYYQNL-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451556890 1026108209 /nfs/dbraw/zinc/10/82/09/1026108209.db2.gz DUFBUQRVEYYQNL-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451579829 1026130873 /nfs/dbraw/zinc/13/08/73/1026130873.db2.gz ZCKUKXMBYKWDCA-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451579829 1026130881 /nfs/dbraw/zinc/13/08/81/1026130881.db2.gz ZCKUKXMBYKWDCA-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)sc1C ZINC000030217273 1026143919 /nfs/dbraw/zinc/14/39/19/1026143919.db2.gz APLNXGBPEQUBCB-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO Cc1ccsc1C[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000096981842 1026191146 /nfs/dbraw/zinc/19/11/46/1026191146.db2.gz IFBZFPGSTVVGFW-UHFFFAOYSA-N 1 2 349.456 3.876 20 0 EHADLO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000096981842 1026191158 /nfs/dbraw/zinc/19/11/58/1026191158.db2.gz IFBZFPGSTVVGFW-UHFFFAOYSA-N 1 2 349.456 3.876 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nc(-c2ccccn2)no1 ZINC000375703937 1026191637 /nfs/dbraw/zinc/19/16/37/1026191637.db2.gz JZLWNNYZKARKBI-GFCCVEGCSA-N 1 2 326.425 3.704 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000451688028 1026229020 /nfs/dbraw/zinc/22/90/20/1026229020.db2.gz JDKZFWRJEUTTOC-FZMZJTMJSA-N 1 2 348.796 3.792 20 0 EHADLO Clc1cc(COc2cccc(-n3cc[nH+]c3)c2)cc2c1OCO2 ZINC000530806162 1026308198 /nfs/dbraw/zinc/30/81/98/1026308198.db2.gz YYHPCIHFYHSJKF-UHFFFAOYSA-N 1 2 328.755 3.833 20 0 EHADLO NC(=O)[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000122209966 1026321832 /nfs/dbraw/zinc/32/18/32/1026321832.db2.gz JZLODEJQLBMVRT-HOCLYGCPSA-N 1 2 332.856 3.693 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccnn2CC2CCC2)o1 ZINC000925139643 1026323453 /nfs/dbraw/zinc/32/34/53/1026323453.db2.gz FHVXGQBYCQXQIL-RHSMWYFYSA-N 1 2 331.460 3.877 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858958 1026330412 /nfs/dbraw/zinc/33/04/12/1026330412.db2.gz SKODFBSAFNXFCS-FZKQIMNGSA-N 1 2 335.407 3.954 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858958 1026330421 /nfs/dbraw/zinc/33/04/21/1026330421.db2.gz SKODFBSAFNXFCS-FZKQIMNGSA-N 1 2 335.407 3.954 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451847091 1026341668 /nfs/dbraw/zinc/34/16/68/1026341668.db2.gz XPSGLBMYIYEHQZ-LPHOPBHVSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451847091 1026341683 /nfs/dbraw/zinc/34/16/83/1026341683.db2.gz XPSGLBMYIYEHQZ-LPHOPBHVSA-N 1 2 338.451 3.820 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451962665 1026399865 /nfs/dbraw/zinc/39/98/65/1026399865.db2.gz XKOCAOJJOQZPJR-UHFFFAOYSA-N 1 2 348.441 3.667 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451963247 1026400653 /nfs/dbraw/zinc/40/06/53/1026400653.db2.gz HGUOAXTZNVXDQE-DOMZBBRYSA-N 1 2 327.519 3.603 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451963247 1026400657 /nfs/dbraw/zinc/40/06/57/1026400657.db2.gz HGUOAXTZNVXDQE-DOMZBBRYSA-N 1 2 327.519 3.603 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3[C@@H](C)CCC3(C)C)s2)cc1 ZINC000452009401 1026445089 /nfs/dbraw/zinc/44/50/89/1026445089.db2.gz PSVZGWKTGMEBBH-ZDUSSCGKSA-N 1 2 344.484 3.862 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3[C@@H](C)CCC3(C)C)s2)cc1 ZINC000452009401 1026445096 /nfs/dbraw/zinc/44/50/96/1026445096.db2.gz PSVZGWKTGMEBBH-ZDUSSCGKSA-N 1 2 344.484 3.862 20 0 EHADLO CCC1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCC1 ZINC000530979918 1026452904 /nfs/dbraw/zinc/45/29/04/1026452904.db2.gz KIQJMQXBSVJGEZ-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO CCC1(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCC1 ZINC000530979918 1026452907 /nfs/dbraw/zinc/45/29/07/1026452907.db2.gz KIQJMQXBSVJGEZ-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@@H]2CCOC3(CCCC3)C2)no1)c1ccccc1 ZINC000897186980 1026468802 /nfs/dbraw/zinc/46/88/02/1026468802.db2.gz LUOYJUCGHOXUBR-SJORKVTESA-N 1 2 341.455 3.927 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC3C[C@@H]4CC1C[C@H](C3)C4)C2 ZINC000475317130 1026474193 /nfs/dbraw/zinc/47/41/93/1026474193.db2.gz FCYOULFWFRZHIP-YKDOHLLJSA-N 1 2 341.499 3.675 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC3C[C@@H]4CC1C[C@H](C3)C4)CC2 ZINC000475317130 1026474201 /nfs/dbraw/zinc/47/42/01/1026474201.db2.gz FCYOULFWFRZHIP-YKDOHLLJSA-N 1 2 341.499 3.675 20 0 EHADLO Cc1noc([C@H](C)[N@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000680817206 1026524549 /nfs/dbraw/zinc/52/45/49/1026524549.db2.gz AARIPMKVEAQXAR-NSHDSACASA-N 1 2 348.244 3.991 20 0 EHADLO Cc1noc([C@H](C)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000680817206 1026524555 /nfs/dbraw/zinc/52/45/55/1026524555.db2.gz AARIPMKVEAQXAR-NSHDSACASA-N 1 2 348.244 3.991 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CCC2 ZINC000563388621 1026557509 /nfs/dbraw/zinc/55/75/09/1026557509.db2.gz XPCJKQAAKLIIKI-LIRRHRJNSA-N 1 2 325.456 3.906 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CCC2 ZINC000563388621 1026557517 /nfs/dbraw/zinc/55/75/17/1026557517.db2.gz XPCJKQAAKLIIKI-LIRRHRJNSA-N 1 2 325.456 3.906 20 0 EHADLO CC(C)CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000452203954 1026571011 /nfs/dbraw/zinc/57/10/11/1026571011.db2.gz GCUVUTXCRIJRDS-UHFFFAOYSA-N 1 2 331.847 3.968 20 0 EHADLO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000347316418 1026578404 /nfs/dbraw/zinc/57/84/04/1026578404.db2.gz FIGVGSWSQRGDNF-NSHDSACASA-N 1 2 349.312 3.759 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000531165775 1026640270 /nfs/dbraw/zinc/64/02/70/1026640270.db2.gz RDIBNWIJQYRKHJ-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)c(F)c1 ZINC000122685702 1026647388 /nfs/dbraw/zinc/64/73/88/1026647388.db2.gz LGPOVTPDIBMPRQ-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000168023075 1026651171 /nfs/dbraw/zinc/65/11/71/1026651171.db2.gz MWCPTDBBMWMKAL-GOEBONIOSA-N 1 2 328.460 3.986 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000452333541 1026665920 /nfs/dbraw/zinc/66/59/20/1026665920.db2.gz JRJLSDUGGJOHHV-UONOGXRCSA-N 1 2 349.356 3.980 20 0 EHADLO CCCNc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000193028400 1026665873 /nfs/dbraw/zinc/66/58/73/1026665873.db2.gz ZWTLBFHKHXLMJW-UHFFFAOYSA-N 1 2 334.423 3.624 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2c(C)cccc2C)nc(C(C)C)[nH+]1 ZINC000301056204 1026669375 /nfs/dbraw/zinc/66/93/75/1026669375.db2.gz FSHPVAVNTSXSQQ-UHFFFAOYSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1cc(NCc2ccc(Cn3ccccc3=O)cc2)nc(C(C)C)[nH+]1 ZINC000301065898 1026673564 /nfs/dbraw/zinc/67/35/64/1026673564.db2.gz DCUNCBHHMCSNDL-UHFFFAOYSA-N 1 2 348.450 3.731 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1Cl ZINC000531204214 1026683828 /nfs/dbraw/zinc/68/38/28/1026683828.db2.gz GHKIVRGIQQRILW-WBMJQRKESA-N 1 2 332.806 3.935 20 0 EHADLO C/C(=C/C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CC1 ZINC000728497900 1026718932 /nfs/dbraw/zinc/71/89/32/1026718932.db2.gz GRJVSWIOIGNGAR-SQFISAMPSA-N 1 2 349.438 3.618 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452412151 1026734231 /nfs/dbraw/zinc/73/42/31/1026734231.db2.gz BQZYYGNAYWJGQQ-IEBWSBKVSA-N 1 2 325.456 3.878 20 0 EHADLO CC/C=C(/C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000728498391 1026744812 /nfs/dbraw/zinc/74/48/12/1026744812.db2.gz KYFLNJUKPIVRMN-CHHVJCJISA-N 1 2 337.427 3.618 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000115112587 1026770129 /nfs/dbraw/zinc/77/01/29/1026770129.db2.gz IOBBWLFKJBPKTA-GOSISDBHSA-N 1 2 334.423 3.703 20 0 EHADLO COCc1cnc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)s1 ZINC000342706654 1026778414 /nfs/dbraw/zinc/77/84/14/1026778414.db2.gz RCEFJAOBTRROAO-UHFFFAOYSA-N 1 2 332.469 3.641 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934557592 1026786019 /nfs/dbraw/zinc/78/60/19/1026786019.db2.gz SGEYZWDDSOFYQK-STQMWFEESA-N 1 2 334.489 3.698 20 0 EHADLO CC(C)C[C@@]1(C)CCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000452518367 1026813274 /nfs/dbraw/zinc/81/32/74/1026813274.db2.gz ZQEYUGBUYXQAFA-MBOZVWFJSA-N 1 2 329.488 3.581 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCCCc2ccccc21 ZINC000511175371 1026818250 /nfs/dbraw/zinc/81/82/50/1026818250.db2.gz JCQYHMJXUZGNMF-SJLPKXTDSA-N 1 2 335.451 3.523 20 0 EHADLO Cc1cccc(Nc2nnc(SCc3cc[nH+]c(N)c3)s2)c1 ZINC000193058085 1026824385 /nfs/dbraw/zinc/82/43/85/1026824385.db2.gz QXXFBHKVZKRYAB-UHFFFAOYSA-N 1 2 329.454 3.860 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416019 1026859536 /nfs/dbraw/zinc/85/95/36/1026859536.db2.gz WJFRBDLGDRTJMM-NRFANRHFSA-N 1 2 331.419 3.708 20 0 EHADLO COc1ccc(CN(C)c2nc(C)[nH+]c(C)c2C)cc1OC(F)F ZINC000301714292 1026912729 /nfs/dbraw/zinc/91/27/29/1026912729.db2.gz ZJDNMWXPZYHLLR-UHFFFAOYSA-N 1 2 337.370 3.648 20 0 EHADLO CCCC(=O)Nc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301837341 1026959446 /nfs/dbraw/zinc/95/94/46/1026959446.db2.gz VXKABNIQJCPXPS-UHFFFAOYSA-N 1 2 339.443 3.649 20 0 EHADLO CCCC(=O)Nc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301837341 1026959452 /nfs/dbraw/zinc/95/94/52/1026959452.db2.gz VXKABNIQJCPXPS-UHFFFAOYSA-N 1 2 339.443 3.649 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301862342 1026969953 /nfs/dbraw/zinc/96/99/53/1026969953.db2.gz DZHHMMHRCMOCJU-GOEBONIOSA-N 1 2 335.455 3.964 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000048776549 1026975465 /nfs/dbraw/zinc/97/54/65/1026975465.db2.gz CCCLDLAZUYHEFC-UHFFFAOYSA-N 1 2 347.462 3.968 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cn1 ZINC000048776700 1026977382 /nfs/dbraw/zinc/97/73/82/1026977382.db2.gz IBUFWTDJGFGSGO-UHFFFAOYSA-N 1 2 349.482 3.602 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc2cccnc21 ZINC000301904139 1026989134 /nfs/dbraw/zinc/98/91/34/1026989134.db2.gz XXRKPVXUAAZCPH-UHFFFAOYSA-N 1 2 332.411 3.742 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2c3ccccc3[nH]c2C1 ZINC000301908772 1026990879 /nfs/dbraw/zinc/99/08/79/1026990879.db2.gz FISXSFVHVXCGOW-UHFFFAOYSA-N 1 2 346.438 3.625 20 0 EHADLO Cc1cc(C)n(-c2ccccc2CNc2nc(N)c3ccccc3[nH+]2)n1 ZINC000301919170 1026994956 /nfs/dbraw/zinc/99/49/56/1026994956.db2.gz WVLSMZGOENJNEM-UHFFFAOYSA-N 1 2 344.422 3.627 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1CCCCCC1 ZINC000452796162 1027014659 /nfs/dbraw/zinc/01/46/59/1027014659.db2.gz RMSHLEVLEROWFH-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO Cc1nc2c(c(NCc3cccc(Cn4cc[nH+]c4)c3)n1)CCCC2 ZINC000302034416 1027030029 /nfs/dbraw/zinc/03/00/29/1027030029.db2.gz DRSGRWREXKVVBB-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccccc3Cl)C2)c2c([nH+]1)CCCC2 ZINC000302047177 1027034076 /nfs/dbraw/zinc/03/40/76/1027034076.db2.gz LLXVNNWJJAIZHM-SFHVURJKSA-N 1 2 343.858 3.895 20 0 EHADLO Cc1nc(NC[C@H](O)c2ccc(OC(C)C)cc2)c2c([nH+]1)CCCC2 ZINC000302064413 1027040862 /nfs/dbraw/zinc/04/08/62/1027040862.db2.gz VJTNUTGEMJVLPH-IBGZPJMESA-N 1 2 341.455 3.597 20 0 EHADLO Cc1ccc(-c2noc(NCc3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000302078198 1027046240 /nfs/dbraw/zinc/04/62/40/1027046240.db2.gz XBKHBTQWFWVGTP-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452829753 1027047534 /nfs/dbraw/zinc/04/75/34/1027047534.db2.gz YSUJUKZGFCOBNM-UHFFFAOYSA-N 1 2 349.837 3.500 20 0 EHADLO C[C@H](Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[N@H+](C)CCO1 ZINC000302103271 1027054000 /nfs/dbraw/zinc/05/40/00/1027054000.db2.gz WBPGQLUADXLRAT-XHDPSFHLSA-N 1 2 337.876 3.595 20 0 EHADLO C[C@H](Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[N@@H+](C)CCO1 ZINC000302103271 1027054010 /nfs/dbraw/zinc/05/40/10/1027054010.db2.gz WBPGQLUADXLRAT-XHDPSFHLSA-N 1 2 337.876 3.595 20 0 EHADLO Cc1cc(N2CCO[C@@H](CCc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000302127582 1027061057 /nfs/dbraw/zinc/06/10/57/1027061057.db2.gz IWZUCVACEVRXSS-SFHVURJKSA-N 1 2 325.456 3.746 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)N(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302126965 1027061790 /nfs/dbraw/zinc/06/17/90/1027061790.db2.gz ISVGNMKTLKEAPR-BBRMVZONSA-N 1 2 336.443 3.564 20 0 EHADLO CCSc1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000531580878 1027068843 /nfs/dbraw/zinc/06/88/43/1027068843.db2.gz UCMKURWOQMJCQG-GDBMZVCRSA-N 1 2 329.469 3.718 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000531580980 1027069021 /nfs/dbraw/zinc/06/90/21/1027069021.db2.gz QEXOZUJKUZVNQL-QRQLOZEOSA-N 1 2 325.456 3.562 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123240847 1027071954 /nfs/dbraw/zinc/07/19/54/1027071954.db2.gz JQRRDSRGIVIWBD-QFBILLFUSA-N 1 2 341.455 3.641 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000074769707 1027073250 /nfs/dbraw/zinc/07/32/50/1027073250.db2.gz YCNAMFLTAGNMTG-WMZOPIPTSA-N 1 2 340.471 3.547 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000302158035 1027073274 /nfs/dbraw/zinc/07/32/74/1027073274.db2.gz JDBWBPXWDGDPER-UHFFFAOYSA-N 1 2 336.226 3.660 20 0 EHADLO CCC(CC)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000075191411 1027106000 /nfs/dbraw/zinc/10/60/00/1027106000.db2.gz UUOPNEVDIWYMRO-UHFFFAOYSA-N 1 2 339.483 3.636 20 0 EHADLO C[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1n1cc[nH+]c1 ZINC000125775166 1027120474 /nfs/dbraw/zinc/12/04/74/1027120474.db2.gz GSZCFTDFBXARME-MVJVIOSPSA-N 1 2 327.472 3.509 20 0 EHADLO CSc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000043857601 1027127582 /nfs/dbraw/zinc/12/75/82/1027127582.db2.gz JCFCFMYBODEIQT-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1OC ZINC000125991197 1027146364 /nfs/dbraw/zinc/14/63/64/1027146364.db2.gz WDGMZBLRQCRAJG-DOTOQJQBSA-N 1 2 332.831 3.616 20 0 EHADLO CCOc1ccc2c(c1)[C@H](Nc1nc(C)[nH+]c3c1CCCC3)CCO2 ZINC000302414057 1027146481 /nfs/dbraw/zinc/14/64/81/1027146481.db2.gz NADSUJQFQAJXEY-GOSISDBHSA-N 1 2 339.439 3.998 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532547 1027146644 /nfs/dbraw/zinc/14/66/44/1027146644.db2.gz UCHBBBGQIDYHBI-IBGZPJMESA-N 1 2 333.435 3.902 20 0 EHADLO C[C@H](CC(=O)N[C@H](COc1ccccc1F)C(C)(C)C)n1cc[nH+]c1 ZINC000582731119 1027156848 /nfs/dbraw/zinc/15/68/48/1027156848.db2.gz SJBIKWXDTYZJQD-RHSMWYFYSA-N 1 2 347.434 3.583 20 0 EHADLO COc1cccc2c(NC3CCN(CC(F)(F)F)CC3)cc[nH+]c12 ZINC000302490450 1027165882 /nfs/dbraw/zinc/16/58/82/1027165882.db2.gz YXRACZINPBBMSF-UHFFFAOYSA-N 1 2 339.361 3.682 20 0 EHADLO COCc1nc(C[NH+]2CCC(OCCc3ccccc3)CC2)cs1 ZINC000075673654 1027189837 /nfs/dbraw/zinc/18/98/37/1027189837.db2.gz JYDBILVEGFUSGK-UHFFFAOYSA-N 1 2 346.496 3.513 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCCCS2)C[C@@H](C)O1 ZINC000272957274 1027196319 /nfs/dbraw/zinc/19/63/19/1027196319.db2.gz LOCRPAAEYIKCKN-IIDMSEBBSA-N 1 2 348.512 3.520 20 0 EHADLO O=C(Nc1ccsc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126501127 1027210677 /nfs/dbraw/zinc/21/06/77/1027210677.db2.gz GUCWHUHZMIBZMR-IAGOWNOFSA-N 1 2 338.436 3.995 20 0 EHADLO CC(C)c1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000076036281 1027230465 /nfs/dbraw/zinc/23/04/65/1027230465.db2.gz DSRUEBSFGMJSEN-UHFFFAOYSA-N 1 2 326.444 3.707 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@H](C)CC1 ZINC000302705256 1027248456 /nfs/dbraw/zinc/24/84/56/1027248456.db2.gz CCYSKNQWCSBUEG-CYBMUJFWSA-N 1 2 330.453 3.743 20 0 EHADLO Cc1csc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000453033727 1027271304 /nfs/dbraw/zinc/27/13/04/1027271304.db2.gz WFQGKBHJBLXKSH-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](C2(C)OCCO2)C1 ZINC000302755281 1027272835 /nfs/dbraw/zinc/27/28/35/1027272835.db2.gz IJNNTPLJNJLYBN-HNNXBMFYSA-N 1 2 342.439 3.531 20 0 EHADLO Cc1c[nH+]c(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342807890 1027277525 /nfs/dbraw/zinc/27/75/25/1027277525.db2.gz POERPPMNJWDNAF-OAHLLOKOSA-N 1 2 340.254 3.609 20 0 EHADLO CC(C)c1noc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804811 1027302010 /nfs/dbraw/zinc/30/20/10/1027302010.db2.gz FHTAISVFBANQBN-KGLIPLIRSA-N 1 2 338.814 3.843 20 0 EHADLO CC(C)c1noc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804811 1027302035 /nfs/dbraw/zinc/30/20/35/1027302035.db2.gz FHTAISVFBANQBN-KGLIPLIRSA-N 1 2 338.814 3.843 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(CO)cc3)n2)cc1 ZINC000273268095 1027346422 /nfs/dbraw/zinc/34/64/22/1027346422.db2.gz DFEZLCYEPLFRLF-AWEZNQCLSA-N 1 2 337.423 3.642 20 0 EHADLO C[C@@H]1CC(C)(C)CN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000665722991 1027347804 /nfs/dbraw/zinc/34/78/04/1027347804.db2.gz IFJCIVOSZRWGJS-NVXWUHKLSA-N 1 2 340.471 3.534 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccc1OC ZINC000657567400 1027348886 /nfs/dbraw/zinc/34/88/86/1027348886.db2.gz AXHNMIZSKCXZPE-HOCLYGCPSA-N 1 2 344.459 3.651 20 0 EHADLO c1nc(N2CCC[C@@H]2C2CCCCC2)cc(N2CCSCC2)[nH+]1 ZINC000302897772 1027348906 /nfs/dbraw/zinc/34/89/06/1027348906.db2.gz PPIRMDIGECRETO-MRXNPFEDSA-N 1 2 332.517 3.579 20 0 EHADLO c1nc(N2CCSCC2)cc(N2CCC[C@@H]2C2CCCCC2)[nH+]1 ZINC000302897772 1027348912 /nfs/dbraw/zinc/34/89/12/1027348912.db2.gz PPIRMDIGECRETO-MRXNPFEDSA-N 1 2 332.517 3.579 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H](C)[S@@]1=O ZINC000414445060 1027381885 /nfs/dbraw/zinc/38/18/85/1027381885.db2.gz VTLUJNNITHJLOB-HXZRUIPCSA-N 1 2 333.419 3.745 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H](C)[S@@]1=O ZINC000414445060 1027381898 /nfs/dbraw/zinc/38/18/98/1027381898.db2.gz VTLUJNNITHJLOB-HXZRUIPCSA-N 1 2 333.419 3.745 20 0 EHADLO Fc1ccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1 ZINC000077306238 1027388264 /nfs/dbraw/zinc/38/82/64/1027388264.db2.gz IUACNIKDXDYZAW-UHFFFAOYSA-N 1 2 337.402 3.766 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273395593 1027411602 /nfs/dbraw/zinc/41/16/02/1027411602.db2.gz PWFARRWRSYGQCC-CYBMUJFWSA-N 1 2 342.468 3.793 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273416026 1027417368 /nfs/dbraw/zinc/41/73/68/1027417368.db2.gz JCFFNBDUHFNZET-HZPDHXFCSA-N 1 2 333.407 3.513 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273416026 1027417379 /nfs/dbraw/zinc/41/73/79/1027417379.db2.gz JCFFNBDUHFNZET-HZPDHXFCSA-N 1 2 333.407 3.513 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(OC[C@@H]2CCCO2)c1 ZINC000453150426 1027420003 /nfs/dbraw/zinc/42/00/03/1027420003.db2.gz XVHOTWJNDYKOSH-RYQLBKOJSA-N 1 2 341.455 3.545 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Oc2ccccc2)cn1 ZINC000453158332 1027469993 /nfs/dbraw/zinc/46/99/93/1027469993.db2.gz AKEJTJACFBEIBO-HNNXBMFYSA-N 1 2 349.438 3.581 20 0 EHADLO O=C(/C=C/c1ccc(Cl)s1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617880 1027471211 /nfs/dbraw/zinc/47/12/11/1027471211.db2.gz KTOUFGCAKALBMF-FNORWQNLSA-N 1 2 347.871 3.595 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000128747715 1027476230 /nfs/dbraw/zinc/47/62/30/1027476230.db2.gz AHTBDZVIZIUSIB-INIZCTEOSA-N 1 2 337.467 3.722 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc3occc3c2)cs1 ZINC000657584131 1027487031 /nfs/dbraw/zinc/48/70/31/1027487031.db2.gz AFXKANHHFFPRKW-UHFFFAOYSA-N 1 2 329.425 3.552 20 0 EHADLO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000475509066 1027491834 /nfs/dbraw/zinc/49/18/34/1027491834.db2.gz QWLZAUPJSISYBQ-GOSISDBHSA-N 1 2 344.524 3.539 20 0 EHADLO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000475509066 1027491843 /nfs/dbraw/zinc/49/18/43/1027491843.db2.gz QWLZAUPJSISYBQ-GOSISDBHSA-N 1 2 344.524 3.539 20 0 EHADLO COc1cccc2c(NCc3nnc(C4CC4)s3)c(C)c[nH+]c12 ZINC000665752679 1027498531 /nfs/dbraw/zinc/49/85/31/1027498531.db2.gz ZYHPQEZJMIXFHF-UHFFFAOYSA-N 1 2 326.425 3.893 20 0 EHADLO Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C)c[nH+]1 ZINC000536574907 1027501747 /nfs/dbraw/zinc/50/17/47/1027501747.db2.gz UWAHZFUOKWAJNS-UHFFFAOYSA-N 1 2 327.771 3.681 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000128982150 1027506355 /nfs/dbraw/zinc/50/63/55/1027506355.db2.gz LEVFYUFASGBLFU-ZIAGYGMSSA-N 1 2 334.510 3.819 20 0 EHADLO Cc1nc(C2CC2)oc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000273614770 1027520155 /nfs/dbraw/zinc/52/01/55/1027520155.db2.gz SHJLQLNZIUWVNN-UHFFFAOYSA-N 1 2 346.456 3.555 20 0 EHADLO COc1ccccc1/C=C/C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000501764742 1027525977 /nfs/dbraw/zinc/52/59/77/1027525977.db2.gz SMOQCGAVQGIBOL-YRNVUSSQSA-N 1 2 346.434 3.524 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c(C)c1 ZINC000261386160 1027545216 /nfs/dbraw/zinc/54/52/16/1027545216.db2.gz HDOVABZEMGRRIL-KRWDZBQOSA-N 1 2 328.456 3.557 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c(C)c1 ZINC000261386160 1027545232 /nfs/dbraw/zinc/54/52/32/1027545232.db2.gz HDOVABZEMGRRIL-KRWDZBQOSA-N 1 2 328.456 3.557 20 0 EHADLO CC(C)(C)Oc1cc(F)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000536579830 1027547122 /nfs/dbraw/zinc/54/71/22/1027547122.db2.gz PHUAISMUIHHRST-UHFFFAOYSA-N 1 2 348.422 3.801 20 0 EHADLO CC(C)(CCC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000129414587 1027557342 /nfs/dbraw/zinc/55/73/42/1027557342.db2.gz ICIIYHXEYLCVIH-UHFFFAOYSA-N 1 2 339.483 3.636 20 0 EHADLO C[C@H]1C[N@H+](Cc2noc(C3CCOCC3)n2)CC[C@@H]1c1ccccc1 ZINC000129777868 1027599177 /nfs/dbraw/zinc/59/91/77/1027599177.db2.gz FXGKTAVNIBLMQW-YJBOKZPZSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@H]1C[N@@H+](Cc2noc(C3CCOCC3)n2)CC[C@@H]1c1ccccc1 ZINC000129777868 1027599182 /nfs/dbraw/zinc/59/91/82/1027599182.db2.gz FXGKTAVNIBLMQW-YJBOKZPZSA-N 1 2 341.455 3.589 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)n1 ZINC000129970024 1027622132 /nfs/dbraw/zinc/62/21/32/1027622132.db2.gz CIXRPLLLQZKUEP-KSSFIOAISA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)n1 ZINC000129970024 1027622141 /nfs/dbraw/zinc/62/21/41/1027622141.db2.gz CIXRPLLLQZKUEP-KSSFIOAISA-N 1 2 330.403 3.581 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc(C)[nH+]1 ZINC000422217545 1027653293 /nfs/dbraw/zinc/65/32/93/1027653293.db2.gz WMIHXDAVHPAKSC-CYBMUJFWSA-N 1 2 329.366 3.571 20 0 EHADLO CCc1ccc(CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C2CC2)cc1 ZINC000261399864 1027653580 /nfs/dbraw/zinc/65/35/80/1027653580.db2.gz VUGIZAWRIRHMLU-UHFFFAOYSA-N 1 2 347.462 3.939 20 0 EHADLO CCCN(CCC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455108981 1027718480 /nfs/dbraw/zinc/71/84/80/1027718480.db2.gz NOENEDYGSQRMAD-UHFFFAOYSA-N 1 2 334.851 3.857 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420786346 1027720245 /nfs/dbraw/zinc/72/02/45/1027720245.db2.gz BEZJKLKZRCDYPA-AWEZNQCLSA-N 1 2 341.455 3.700 20 0 EHADLO CCc1cccc2c(C3CC[NH+](Cc4csnn4)CC3)c[nH]c21 ZINC000130982157 1027723064 /nfs/dbraw/zinc/72/30/64/1027723064.db2.gz ALSZLPHZNZPCPB-UHFFFAOYSA-N 1 2 326.469 3.961 20 0 EHADLO CN(C[C@H]1CCCOC1)c1cc[nH+]c2c(Br)cccc12 ZINC000107674031 1027754298 /nfs/dbraw/zinc/75/42/98/1027754298.db2.gz DLIJVIVANRGIPG-GFCCVEGCSA-N 1 2 335.245 3.860 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131275839 1027755750 /nfs/dbraw/zinc/75/57/50/1027755750.db2.gz HEOAVGVQDSIBFI-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420848431 1027791718 /nfs/dbraw/zinc/79/17/18/1027791718.db2.gz MDNPDDIHLJZCIU-QGZVFWFLSA-N 1 2 327.403 3.537 20 0 EHADLO FC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000414475989 1027794899 /nfs/dbraw/zinc/79/48/99/1027794899.db2.gz IKHZDQFOKASDSG-LBPRGKRZSA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000414475989 1027794906 /nfs/dbraw/zinc/79/49/06/1027794906.db2.gz IKHZDQFOKASDSG-LBPRGKRZSA-N 1 2 325.733 3.919 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420852336 1027797290 /nfs/dbraw/zinc/79/72/90/1027797290.db2.gz SFJCXGWUSJGYMS-UHFFFAOYSA-N 1 2 331.847 3.736 20 0 EHADLO COc1cc(NCc2cc(C)[nH+]c3c2CCCC3)ccc1NC(C)=O ZINC000892308012 1027811694 /nfs/dbraw/zinc/81/16/94/1027811694.db2.gz AXHRFSRHCNGXFO-UHFFFAOYSA-N 1 2 339.439 3.848 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000380338150 1027849490 /nfs/dbraw/zinc/84/94/90/1027849490.db2.gz JCPHOYMHIVPRBE-SECBINFHSA-N 1 2 336.245 3.912 20 0 EHADLO C[C@H]1CSCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000380338150 1027849471 /nfs/dbraw/zinc/84/94/71/1027849471.db2.gz JCPHOYMHIVPRBE-SECBINFHSA-N 1 2 336.245 3.912 20 0 EHADLO FC(F)Oc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110126278 1027854908 /nfs/dbraw/zinc/85/49/08/1027854908.db2.gz OOVMPNANKQMDJN-UHFFFAOYSA-N 1 2 334.370 3.680 20 0 EHADLO FC(F)Oc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110126278 1027854929 /nfs/dbraw/zinc/85/49/29/1027854929.db2.gz OOVMPNANKQMDJN-UHFFFAOYSA-N 1 2 334.370 3.680 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000459352819 1027867860 /nfs/dbraw/zinc/86/78/60/1027867860.db2.gz WETLPYMWESNDTE-XOBRGWDASA-N 1 2 345.414 3.892 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000459352819 1027867881 /nfs/dbraw/zinc/86/78/81/1027867881.db2.gz WETLPYMWESNDTE-XOBRGWDASA-N 1 2 345.414 3.892 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000420940099 1027894965 /nfs/dbraw/zinc/89/49/65/1027894965.db2.gz RHOTZTMGAYFXQW-UHFFFAOYSA-N 1 2 340.254 3.522 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)Nc3cc(C)[nH+]cc3C)nc2c1 ZINC000536619652 1027915801 /nfs/dbraw/zinc/91/58/01/1027915801.db2.gz UIMRBWLMHPSPGD-GOSISDBHSA-N 1 2 349.438 3.674 20 0 EHADLO Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cc(C)[nH+]cc3C)[nH]c2c1 ZINC000536619652 1027915814 /nfs/dbraw/zinc/91/58/14/1027915814.db2.gz UIMRBWLMHPSPGD-GOSISDBHSA-N 1 2 349.438 3.674 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951884 1027919312 /nfs/dbraw/zinc/91/93/12/1027919312.db2.gz RITSANJZFGBPIH-ZDUSSCGKSA-N 1 2 344.377 3.607 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951884 1027919323 /nfs/dbraw/zinc/91/93/23/1027919323.db2.gz RITSANJZFGBPIH-ZDUSSCGKSA-N 1 2 344.377 3.607 20 0 EHADLO CCOc1ccc(Cl)cc1CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000536618091 1027935106 /nfs/dbraw/zinc/93/51/06/1027935106.db2.gz DLUGPKGWPPNQKO-UHFFFAOYSA-N 1 2 347.846 3.537 20 0 EHADLO C[N@H+](CCC(F)(F)F)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000533490446 1027951157 /nfs/dbraw/zinc/95/11/57/1027951157.db2.gz VDOVLEOMBNUXPM-ZDUSSCGKSA-N 1 2 334.769 3.720 20 0 EHADLO C[N@@H+](CCC(F)(F)F)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000533490446 1027951171 /nfs/dbraw/zinc/95/11/71/1027951171.db2.gz VDOVLEOMBNUXPM-ZDUSSCGKSA-N 1 2 334.769 3.720 20 0 EHADLO COc1cccc2c(N[C@@H]3CCN(C4CCCCC4)C3=O)cc[nH+]c12 ZINC000685039206 1027999475 /nfs/dbraw/zinc/99/94/75/1027999475.db2.gz OHGWQDCMIGEMSY-QGZVFWFLSA-N 1 2 339.439 3.589 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934960 1028002993 /nfs/dbraw/zinc/00/29/93/1028002993.db2.gz YXCMGXCNXLVNCN-IINYFYTJSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934960 1028003001 /nfs/dbraw/zinc/00/30/01/1028003001.db2.gz YXCMGXCNXLVNCN-IINYFYTJSA-N 1 2 346.374 3.538 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342891 1028004382 /nfs/dbraw/zinc/00/43/82/1028004382.db2.gz FWQLMEHBCQJAJO-LSDHHAIUSA-N 1 2 340.448 3.829 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342891 1028004399 /nfs/dbraw/zinc/00/43/99/1028004399.db2.gz FWQLMEHBCQJAJO-LSDHHAIUSA-N 1 2 340.448 3.829 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C2CCC2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000444524422 1028008188 /nfs/dbraw/zinc/00/81/88/1028008188.db2.gz IDFIKIPETZHKDS-ZDUSSCGKSA-N 1 2 341.480 3.796 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C2CCC2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000444524422 1028008205 /nfs/dbraw/zinc/00/82/05/1028008205.db2.gz IDFIKIPETZHKDS-ZDUSSCGKSA-N 1 2 341.480 3.796 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444510752 1028015851 /nfs/dbraw/zinc/01/58/51/1028015851.db2.gz PVMMVYKTGJJXIG-YLJYHZDGSA-N 1 2 343.430 3.624 20 0 EHADLO COc1ccc(F)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000523176727 1028016905 /nfs/dbraw/zinc/01/69/05/1028016905.db2.gz IYSCPUYVQHAGFG-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000513739521 1028024915 /nfs/dbraw/zinc/02/49/15/1028024915.db2.gz JGJWSLKYVJVKEV-RDJZCZTQSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000444572686 1028044100 /nfs/dbraw/zinc/04/41/00/1028044100.db2.gz MERNNZSLPMNYCU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000444572686 1028044115 /nfs/dbraw/zinc/04/41/15/1028044115.db2.gz MERNNZSLPMNYCU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1 ZINC000078686768 1028093295 /nfs/dbraw/zinc/09/32/95/1028093295.db2.gz JDQWWKAXCZWMTO-KRWDZBQOSA-N 1 2 337.448 3.875 20 0 EHADLO CC(C)Cc1noc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134320863 1028112316 /nfs/dbraw/zinc/11/23/16/1028112316.db2.gz PDKUWRAXWSMDQM-UHFFFAOYSA-N 1 2 343.471 3.575 20 0 EHADLO CC(C)Cc1noc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134320863 1028112326 /nfs/dbraw/zinc/11/23/26/1028112326.db2.gz PDKUWRAXWSMDQM-UHFFFAOYSA-N 1 2 343.471 3.575 20 0 EHADLO CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422997300 1028113032 /nfs/dbraw/zinc/11/30/32/1028113032.db2.gz UZXSROBCARILAW-SGTLLEGYSA-N 1 2 348.393 3.629 20 0 EHADLO [NH3+][C@H](C(=O)NC1CCC(c2ccccc2)CC1)c1c(F)cccc1F ZINC000423006421 1028118497 /nfs/dbraw/zinc/11/84/97/1028118497.db2.gz OPPQXUKHZZJCQE-ZOJXTTQQSA-N 1 2 344.405 3.807 20 0 EHADLO Oc1ccc(CCC2CC[NH+](Cc3nccn3C(F)F)CC2)cc1 ZINC000078723020 1028147313 /nfs/dbraw/zinc/14/73/13/1028147313.db2.gz UBTIGIVNIXMDGH-UHFFFAOYSA-N 1 2 335.398 3.829 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698564 1028172126 /nfs/dbraw/zinc/17/21/26/1028172126.db2.gz MEURQVPFZPHJBS-SGTLLEGYSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698564 1028172132 /nfs/dbraw/zinc/17/21/32/1028172132.db2.gz MEURQVPFZPHJBS-SGTLLEGYSA-N 1 2 334.847 3.949 20 0 EHADLO CCC[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C(C)(C)C ZINC000455436038 1028174212 /nfs/dbraw/zinc/17/42/12/1028174212.db2.gz NXGQDORRKMJOHU-OAHLLOKOSA-N 1 2 329.448 3.663 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444705098 1028178978 /nfs/dbraw/zinc/17/89/78/1028178978.db2.gz MASMVORZNUTQAM-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444705098 1028178987 /nfs/dbraw/zinc/17/89/87/1028178987.db2.gz MASMVORZNUTQAM-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000153558641 1028186655 /nfs/dbraw/zinc/18/66/55/1028186655.db2.gz CYSZFULXKZGFJG-UKRRQHHQSA-N 1 2 345.830 3.659 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135380006 1028186943 /nfs/dbraw/zinc/18/69/43/1028186943.db2.gz ROFHHQJCCDQHGX-UHFFFAOYSA-N 1 2 334.794 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135380006 1028186948 /nfs/dbraw/zinc/18/69/48/1028186948.db2.gz ROFHHQJCCDQHGX-UHFFFAOYSA-N 1 2 334.794 3.653 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709735 1028187974 /nfs/dbraw/zinc/18/79/74/1028187974.db2.gz RAAKXZNJQUVGLF-HUUCEWRRSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709735 1028187987 /nfs/dbraw/zinc/18/79/87/1028187987.db2.gz RAAKXZNJQUVGLF-HUUCEWRRSA-N 1 2 346.421 3.971 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 ZINC000532693677 1028189392 /nfs/dbraw/zinc/18/93/92/1028189392.db2.gz OSPNZIQCMOYSEE-HNNXBMFYSA-N 1 2 326.362 3.511 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 ZINC000532693677 1028189398 /nfs/dbraw/zinc/18/93/98/1028189398.db2.gz OSPNZIQCMOYSEE-HNNXBMFYSA-N 1 2 326.362 3.511 20 0 EHADLO C[NH2+]Cc1noc([C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000414506516 1028198510 /nfs/dbraw/zinc/19/85/10/1028198510.db2.gz WUIIQZNYYWDHJN-QZTJIDSGSA-N 1 2 335.407 3.639 20 0 EHADLO Cn1cc(Cl)c(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000421219216 1028202497 /nfs/dbraw/zinc/20/24/97/1028202497.db2.gz UGBLMWHFNRKWMY-UHFFFAOYSA-N 1 2 342.830 3.852 20 0 EHADLO c1c[nH+]c(-c2ccc(Nc3ccc(OC4CCOCC4)nc3)cc2)[nH]1 ZINC001213086091 1028203651 /nfs/dbraw/zinc/20/36/51/1028203651.db2.gz GDHRDHJHSMEBDJ-UHFFFAOYSA-N 1 2 336.395 3.773 20 0 EHADLO Cc1ccccc1C1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423154945 1028214091 /nfs/dbraw/zinc/21/40/91/1028214091.db2.gz PQKHKQKZCAWREP-LJQANCHMSA-N 1 2 344.405 3.679 20 0 EHADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc(Cl)c(Cl)c1 ZINC000546552802 1028218177 /nfs/dbraw/zinc/21/81/77/1028218177.db2.gz KBECTISFTWAITG-SECBINFHSA-N 1 2 337.210 3.853 20 0 EHADLO [NH3+][C@@H](C(=O)N1CC2(CCC2)c2c1cccc2F)c1c(F)cccc1F ZINC000423137111 1028223890 /nfs/dbraw/zinc/22/38/90/1028223890.db2.gz HRCHNOJDDBLMFE-QGZVFWFLSA-N 1 2 346.352 3.572 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)c(C)[nH+]1 ZINC000455498646 1028237729 /nfs/dbraw/zinc/23/77/29/1028237729.db2.gz RSVDUQUENCOQHW-CQSZACIVSA-N 1 2 331.803 3.915 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)cc1C ZINC000054620269 1028244651 /nfs/dbraw/zinc/24/46/51/1028244651.db2.gz QOXGXMGPJJJOER-UHFFFAOYSA-N 1 2 326.425 3.571 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)CCc2ccc(O)cc2)c(C)[nH+]1 ZINC000455481686 1028247707 /nfs/dbraw/zinc/24/77/07/1028247707.db2.gz OTEQLLYMCQBGOL-CYBMUJFWSA-N 1 2 327.428 3.855 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)COc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000431505004 1028254486 /nfs/dbraw/zinc/25/44/86/1028254486.db2.gz AQBFVXODRMNDLG-KRWDZBQOSA-N 1 2 330.403 3.893 20 0 EHADLO Cc1c([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)nnn1-c1ccc(F)cc1 ZINC000423213606 1028256619 /nfs/dbraw/zinc/25/66/19/1028256619.db2.gz KBWGWKMSRLSZLT-GFCCVEGCSA-N 1 2 337.402 3.856 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)c(C)[nH+]1 ZINC000455500075 1028275110 /nfs/dbraw/zinc/27/51/10/1028275110.db2.gz SSBGPTNMFOJORW-MRXNPFEDSA-N 1 2 341.455 3.812 20 0 EHADLO CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455503090 1028279197 /nfs/dbraw/zinc/27/91/97/1028279197.db2.gz VLGOOXAXRCJSST-SFHVURJKSA-N 1 2 341.455 3.812 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000121229858 1028293010 /nfs/dbraw/zinc/29/30/10/1028293010.db2.gz IPMSNGDDANLALW-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H]3CCCc4ccccc43)ccc2[nH+]1 ZINC000523422517 1028321358 /nfs/dbraw/zinc/32/13/58/1028321358.db2.gz PXKDRHIZUHFOCI-INIZCTEOSA-N 1 2 334.423 3.884 20 0 EHADLO CC(C)(C)c1ncc(CN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000536630888 1028333141 /nfs/dbraw/zinc/33/31/41/1028333141.db2.gz RNGBSCIGJZXCMS-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO CCOc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056718778 1028340421 /nfs/dbraw/zinc/34/04/21/1028340421.db2.gz JIVSYPLTSDBVQD-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ncc(Br)cn1 ZINC000421379347 1028340786 /nfs/dbraw/zinc/34/07/86/1028340786.db2.gz INOBONDRXJTVCU-NSHDSACASA-N 1 2 332.245 3.967 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000523445525 1028342507 /nfs/dbraw/zinc/34/25/07/1028342507.db2.gz MWXGWGPXOHSGMK-ISXOHVOVSA-N 1 2 332.463 3.782 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000523445525 1028342526 /nfs/dbraw/zinc/34/25/26/1028342526.db2.gz MWXGWGPXOHSGMK-ISXOHVOVSA-N 1 2 332.463 3.782 20 0 EHADLO CCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894235 1028345480 /nfs/dbraw/zinc/34/54/80/1028345480.db2.gz VLLNGLFCWVUPFC-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO Cc1ccc2c(CCNC(=O)NCc3c[nH+]c(C)cc3C)c[nH]c2c1 ZINC000455540298 1028357872 /nfs/dbraw/zinc/35/78/72/1028357872.db2.gz FNNUZOLIVZNSPD-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCCC(C)(C)C)C1 ZINC000138925389 1028381007 /nfs/dbraw/zinc/38/10/07/1028381007.db2.gz HCZBOZDBLATPHT-INIZCTEOSA-N 1 2 334.508 3.601 20 0 EHADLO C[C@H]1CC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@H](C)C1 ZINC000523536929 1028405233 /nfs/dbraw/zinc/40/52/33/1028405233.db2.gz UURYAIUFUFIAQH-GPMSIDNRSA-N 1 2 346.540 3.717 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc3ccnc(Cl)c3s1)C2 ZINC000897333688 1028426975 /nfs/dbraw/zinc/42/69/75/1028426975.db2.gz KQCQJPPFZGCWPW-UHFFFAOYSA-N 1 2 332.860 3.724 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@](F)(c3ccccc3C)C2)c[nH+]1 ZINC000455556190 1028450909 /nfs/dbraw/zinc/45/09/09/1028450909.db2.gz GGZQUNKQJXJBDT-HXUWFJFHSA-N 1 2 341.430 3.787 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000071090504 1028474935 /nfs/dbraw/zinc/47/49/35/1028474935.db2.gz ZNRGRSLFTGONHW-GHTZIAJQSA-N 1 2 337.467 3.552 20 0 EHADLO CCOc1ccc(CC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000072303269 1028500552 /nfs/dbraw/zinc/50/05/52/1028500552.db2.gz QAADBRTVYUTZFO-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421559457 1028535084 /nfs/dbraw/zinc/53/50/84/1028535084.db2.gz OLGHRMQTKUIMMY-UHFFFAOYSA-N 1 2 332.831 3.826 20 0 EHADLO Cc1cc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc[nH+]1 ZINC000073069220 1028539276 /nfs/dbraw/zinc/53/92/76/1028539276.db2.gz OSUFEZLPPQXUPN-UHFFFAOYSA-N 1 2 327.384 3.834 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccco3)Cc3ccco3)[nH+]c12 ZINC000523702850 1028556393 /nfs/dbraw/zinc/55/63/93/1028556393.db2.gz SRVBMGJCCWXVIW-UHFFFAOYSA-N 1 2 349.390 3.600 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)CSc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421573940 1028568440 /nfs/dbraw/zinc/56/84/40/1028568440.db2.gz CKRXLYYYMGNIJO-LBPRGKRZSA-N 1 2 332.444 3.882 20 0 EHADLO O[C@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1F ZINC000195069754 1028575200 /nfs/dbraw/zinc/57/52/00/1028575200.db2.gz POXVVXQURSHTAU-SJORKVTESA-N 1 2 346.402 3.834 20 0 EHADLO Cc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cnn1-c1cc(C)ccc1C ZINC000421581440 1028577324 /nfs/dbraw/zinc/57/73/24/1028577324.db2.gz YUGZPVBMXDMIPZ-UHFFFAOYSA-N 1 2 348.450 3.739 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000073986291 1028590462 /nfs/dbraw/zinc/59/04/62/1028590462.db2.gz PHZLEXGPEOLLEN-CQSZACIVSA-N 1 2 340.423 3.529 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000073986291 1028590473 /nfs/dbraw/zinc/59/04/73/1028590473.db2.gz PHZLEXGPEOLLEN-CQSZACIVSA-N 1 2 340.423 3.529 20 0 EHADLO COc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000074123695 1028597627 /nfs/dbraw/zinc/59/76/27/1028597627.db2.gz MXYZAZUWBQYXPB-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000421647775 1028640467 /nfs/dbraw/zinc/64/04/67/1028640467.db2.gz XAPRDBXLCRJNON-CQSZACIVSA-N 1 2 347.409 3.662 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523813310 1028644342 /nfs/dbraw/zinc/64/43/42/1028644342.db2.gz RTPWRYUUQSWMLL-SFHVURJKSA-N 1 2 329.488 3.583 20 0 EHADLO CCCN(CCc1cccs1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423846558 1028649884 /nfs/dbraw/zinc/64/98/84/1028649884.db2.gz LMZRYVQWLUHFFG-INIZCTEOSA-N 1 2 338.423 3.507 20 0 EHADLO CCCN(CCc1cccs1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423846559 1028650303 /nfs/dbraw/zinc/65/03/03/1028650303.db2.gz LMZRYVQWLUHFFG-MRXNPFEDSA-N 1 2 338.423 3.507 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)o1 ZINC000237426573 1028651003 /nfs/dbraw/zinc/65/10/03/1028651003.db2.gz FSZSLBOYKNRMQO-CYBMUJFWSA-N 1 2 340.402 3.783 20 0 EHADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]([NH3+])c3c(F)cccc3F)C2)c1 ZINC000423871706 1028660862 /nfs/dbraw/zinc/66/08/62/1028660862.db2.gz HCGCWVQGEORWAG-AUUYWEPGSA-N 1 2 344.405 3.598 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000246630857 1028670652 /nfs/dbraw/zinc/67/06/52/1028670652.db2.gz KIMIIBRTUYVYDM-GDBMZVCRSA-N 1 2 331.485 3.927 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000246630857 1028670660 /nfs/dbraw/zinc/67/06/60/1028670660.db2.gz KIMIIBRTUYVYDM-GDBMZVCRSA-N 1 2 331.485 3.927 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC2CCCCCC2)cc1 ZINC000523860612 1028674143 /nfs/dbraw/zinc/67/41/43/1028674143.db2.gz XWUDVIORAPQERC-LJQANCHMSA-N 1 2 346.540 3.924 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC2CCCCCC2)cc1 ZINC000523860612 1028674149 /nfs/dbraw/zinc/67/41/49/1028674149.db2.gz XWUDVIORAPQERC-LJQANCHMSA-N 1 2 346.540 3.924 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000246699825 1028677569 /nfs/dbraw/zinc/67/75/69/1028677569.db2.gz FVPQGTPUWUZFMX-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000246699825 1028677574 /nfs/dbraw/zinc/67/75/74/1028677574.db2.gz FVPQGTPUWUZFMX-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536637851 1028684432 /nfs/dbraw/zinc/68/44/32/1028684432.db2.gz WWMNWMGAZIFZSW-LBPRGKRZSA-N 1 2 346.356 3.878 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536637851 1028684436 /nfs/dbraw/zinc/68/44/36/1028684436.db2.gz WWMNWMGAZIFZSW-LBPRGKRZSA-N 1 2 346.356 3.878 20 0 EHADLO CC1(C)OC(=O)c2c1cccc2C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001625981601 1028703230 /nfs/dbraw/zinc/70/32/30/1028703230.db2.gz IHQAVLAIUSMGTQ-UHFFFAOYSA-N 1 2 347.374 3.735 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000245425847 1028706851 /nfs/dbraw/zinc/70/68/51/1028706851.db2.gz UHYUNHFCDXVNNH-UIAACRFSSA-N 1 2 333.435 3.592 20 0 EHADLO Cc1nc(COc2ccc(C[NH2+][C@H](C)c3csnn3)cc2)cs1 ZINC000414547765 1028731068 /nfs/dbraw/zinc/73/10/68/1028731068.db2.gz IGBVOVZHVMZTPO-LLVKDONJSA-N 1 2 346.481 3.733 20 0 EHADLO Cc1sc(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c(C)c1C ZINC000162407457 1028737417 /nfs/dbraw/zinc/73/74/17/1028737417.db2.gz ACKZDLFYCVHFCD-UHFFFAOYSA-N 1 2 338.517 3.891 20 0 EHADLO CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454321974 1028739298 /nfs/dbraw/zinc/73/92/98/1028739298.db2.gz CCOLTGKRAFRKAD-RBUKOAKNSA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000454322700 1028740215 /nfs/dbraw/zinc/74/02/15/1028740215.db2.gz OKXLVJROHPWJPH-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000421746584 1028747770 /nfs/dbraw/zinc/74/77/70/1028747770.db2.gz DNXIVOOYTHBSAS-UHFFFAOYSA-N 1 2 346.500 3.908 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000246932952 1028749372 /nfs/dbraw/zinc/74/93/72/1028749372.db2.gz TVJQBRSFFQXITO-BSXOQXRQSA-N 1 2 343.858 3.612 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC(C)(C)F)n2)C1 ZINC000664374288 1028749700 /nfs/dbraw/zinc/74/97/00/1028749700.db2.gz QSFIZESJLACBHS-LBPRGKRZSA-N 1 2 342.484 3.635 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC(C)(C)F)n2)C1 ZINC000664374288 1028749717 /nfs/dbraw/zinc/74/97/17/1028749717.db2.gz QSFIZESJLACBHS-LBPRGKRZSA-N 1 2 342.484 3.635 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCc1cccs1 ZINC000245512548 1028755072 /nfs/dbraw/zinc/75/50/72/1028755072.db2.gz AHAYYHXWLISQQF-LSDHHAIUSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1OCc1cccs1 ZINC000245512548 1028755091 /nfs/dbraw/zinc/75/50/91/1028755091.db2.gz AHAYYHXWLISQQF-LSDHHAIUSA-N 1 2 347.480 3.945 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398632 1028762068 /nfs/dbraw/zinc/76/20/68/1028762068.db2.gz WYFUEWXYPMHFJQ-ZIAGYGMSSA-N 1 2 329.444 3.849 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398632 1028762077 /nfs/dbraw/zinc/76/20/77/1028762077.db2.gz WYFUEWXYPMHFJQ-ZIAGYGMSSA-N 1 2 329.444 3.849 20 0 EHADLO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502872631 1028763688 /nfs/dbraw/zinc/76/36/88/1028763688.db2.gz YCEGUOLDUQEIAZ-NSHDSACASA-N 1 2 331.243 3.902 20 0 EHADLO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502872631 1028763703 /nfs/dbraw/zinc/76/37/03/1028763703.db2.gz YCEGUOLDUQEIAZ-NSHDSACASA-N 1 2 331.243 3.902 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000454341027 1028770008 /nfs/dbraw/zinc/77/00/08/1028770008.db2.gz QGZDLOBKDWEYQS-SFHVURJKSA-N 1 2 342.487 3.945 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@H](C)CC2)c(=S)n1C ZINC000052085792 1028771526 /nfs/dbraw/zinc/77/15/26/1028771526.db2.gz AJRZRFIEAHUEDV-AWEZNQCLSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@H](C)CC2)c(=S)n1C ZINC000052085792 1028771539 /nfs/dbraw/zinc/77/15/39/1028771539.db2.gz AJRZRFIEAHUEDV-AWEZNQCLSA-N 1 2 346.500 3.706 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2c(O)ccc(Cl)c2F)o1 ZINC000191194309 1028788238 /nfs/dbraw/zinc/78/82/38/1028788238.db2.gz YVZLMNNBHSCJDY-CYBMUJFWSA-N 1 2 327.783 3.817 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245542455 1028789607 /nfs/dbraw/zinc/78/96/07/1028789607.db2.gz PSIDOZKCAFQNKU-ZIAGYGMSSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245542455 1028789617 /nfs/dbraw/zinc/78/96/17/1028789617.db2.gz PSIDOZKCAFQNKU-ZIAGYGMSSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000247697308 1028812013 /nfs/dbraw/zinc/81/20/13/1028812013.db2.gz UCOZMMGDLVJPDN-VUNQQRPYSA-N 1 2 343.858 3.750 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000421833854 1028823786 /nfs/dbraw/zinc/82/37/86/1028823786.db2.gz JQTZRZHENGZXDH-ZDUSSCGKSA-N 1 2 347.846 3.753 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)[nH+]c12 ZINC000524103313 1028864923 /nfs/dbraw/zinc/86/49/23/1028864923.db2.gz URWDAYVSRTYZRM-UYAOXDASSA-N 1 2 347.462 3.713 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)cc2[nH+]1 ZINC000343069428 1028946213 /nfs/dbraw/zinc/94/62/13/1028946213.db2.gz YZOUPRTVGVPPAV-DYZYQPBXSA-N 1 2 341.436 3.821 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc5cc[nH]c5n4)no3)[nH]c21 ZINC000445576604 1028959807 /nfs/dbraw/zinc/95/98/07/1028959807.db2.gz XTABFMPZMRLFDS-UHFFFAOYSA-N 1 2 344.378 3.583 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(C(F)(F)F)c1 ZINC000414560644 1028968251 /nfs/dbraw/zinc/96/82/51/1028968251.db2.gz XFCRBQQBPLUZCI-UHFFFAOYSA-N 1 2 331.338 3.863 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2C)s1 ZINC000424337689 1028972724 /nfs/dbraw/zinc/97/27/24/1028972724.db2.gz ZTOHGEQUJHTIOE-NWDGAFQWSA-N 1 2 334.441 3.659 20 0 EHADLO Cc1ccccc1CN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000504854998 1028978059 /nfs/dbraw/zinc/97/80/59/1028978059.db2.gz YHMBUNIBUGMEDU-YLJYHZDGSA-N 1 2 349.478 3.654 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000245653809 1028978265 /nfs/dbraw/zinc/97/82/65/1028978265.db2.gz CYJOMINRCZZFJX-IAGOWNOFSA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000245653809 1028978283 /nfs/dbraw/zinc/97/82/83/1028978283.db2.gz CYJOMINRCZZFJX-IAGOWNOFSA-N 1 2 325.456 3.569 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)s1 ZINC000424330047 1028979813 /nfs/dbraw/zinc/97/98/13/1028979813.db2.gz QBXUWQCDIKFXDH-WPRPVWTQSA-N 1 2 339.486 3.669 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000503042632 1029005666 /nfs/dbraw/zinc/00/56/66/1029005666.db2.gz AHISGDXFFAXDIP-KRWDZBQOSA-N 1 2 337.439 3.727 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000503042632 1029005680 /nfs/dbraw/zinc/00/56/80/1029005680.db2.gz AHISGDXFFAXDIP-KRWDZBQOSA-N 1 2 337.439 3.727 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)n1 ZINC000424358037 1029008245 /nfs/dbraw/zinc/00/82/45/1029008245.db2.gz XDDSUNTWSZENIQ-AWEZNQCLSA-N 1 2 332.860 3.604 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000343081391 1029029598 /nfs/dbraw/zinc/02/95/98/1029029598.db2.gz BBIPOAPNUHRMMK-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000076719813 1029037170 /nfs/dbraw/zinc/03/71/70/1029037170.db2.gz BOQAAWHSXDKJGO-KBPBESRZSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000076719813 1029037174 /nfs/dbraw/zinc/03/71/74/1029037174.db2.gz BOQAAWHSXDKJGO-KBPBESRZSA-N 1 2 333.432 3.759 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000454554655 1029037756 /nfs/dbraw/zinc/03/77/56/1029037756.db2.gz RWGYQKLTLXLNOS-XJKSGUPXSA-N 1 2 347.821 3.846 20 0 EHADLO CO[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000454556249 1029064146 /nfs/dbraw/zinc/06/41/46/1029064146.db2.gz AFNZQZKGCGOOST-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569514 1029070260 /nfs/dbraw/zinc/07/02/60/1029070260.db2.gz IMHDMCMHXYPGBA-BDAKNGLRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569514 1029070280 /nfs/dbraw/zinc/07/02/80/1029070280.db2.gz IMHDMCMHXYPGBA-BDAKNGLRSA-N 1 2 338.698 3.757 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1 ZINC000503185621 1029124088 /nfs/dbraw/zinc/12/40/88/1029124088.db2.gz BVMSLJSSSOOHNI-SFHVURJKSA-N 1 2 326.371 3.958 20 0 EHADLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000445806792 1029145018 /nfs/dbraw/zinc/14/50/18/1029145018.db2.gz AYVWTJJJYKKFRA-KRWDZBQOSA-N 1 2 333.435 3.715 20 0 EHADLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000445806792 1029145022 /nfs/dbraw/zinc/14/50/22/1029145022.db2.gz AYVWTJJJYKKFRA-KRWDZBQOSA-N 1 2 333.435 3.715 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(C(F)F)CCCC1 ZINC000614948628 1029147824 /nfs/dbraw/zinc/14/78/24/1029147824.db2.gz NXKSMCPFIXEARB-AWEZNQCLSA-N 1 2 333.382 3.626 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)nnn1-c1cccc(Cl)c1 ZINC000154393088 1029148160 /nfs/dbraw/zinc/14/81/60/1029148160.db2.gz KHGUDYVDQAPBFP-GFCCVEGCSA-N 1 2 342.830 3.786 20 0 EHADLO Cc1nn2c(C[NH2+][C@@H](COCC(C)C)c3ccco3)c(C)nc2s1 ZINC000271815535 1029187432 /nfs/dbraw/zinc/18/74/32/1029187432.db2.gz BKFDKVLQISAVOH-AWEZNQCLSA-N 1 2 348.472 3.504 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000424644031 1029206843 /nfs/dbraw/zinc/20/68/43/1029206843.db2.gz MFXCJKBEXMZPII-UWWQBHOKSA-N 1 2 336.426 3.559 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCCOc2ccc(C(C)(C)C)cc2)no1 ZINC000533046094 1029230578 /nfs/dbraw/zinc/23/05/78/1029230578.db2.gz HTDCZXDRZBAKKY-UHFFFAOYSA-N 1 2 331.460 3.969 20 0 EHADLO COc1ccc(Br)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213087535 1029236994 /nfs/dbraw/zinc/23/69/94/1029236994.db2.gz RPESKLKMWXAONB-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H](CO)c1ccccc1 ZINC000343116300 1029280163 /nfs/dbraw/zinc/28/01/63/1029280163.db2.gz HSTOIIKLGOLLNG-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H](CO)c1ccccc1 ZINC000343116300 1029280182 /nfs/dbraw/zinc/28/01/82/1029280182.db2.gz HSTOIIKLGOLLNG-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000272038758 1029284752 /nfs/dbraw/zinc/28/47/52/1029284752.db2.gz AFTULCIOBHORMS-KURKYZTESA-N 1 2 330.497 3.609 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCC2CCCCC2)s1 ZINC000525639014 1029304035 /nfs/dbraw/zinc/30/40/35/1029304035.db2.gz OIEMJWSSMKDGKD-AWEZNQCLSA-N 1 2 337.533 3.703 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCC2CCCCC2)s1 ZINC000525639014 1029304049 /nfs/dbraw/zinc/30/40/49/1029304049.db2.gz OIEMJWSSMKDGKD-AWEZNQCLSA-N 1 2 337.533 3.703 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454789852 1029304639 /nfs/dbraw/zinc/30/46/39/1029304639.db2.gz FXEQYTJBUUPPAT-AWEZNQCLSA-N 1 2 343.475 3.519 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000524592334 1029343092 /nfs/dbraw/zinc/34/30/92/1029343092.db2.gz GVUMWPPZUYJDKQ-IBGZPJMESA-N 1 2 344.405 3.874 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000254985380 1029345231 /nfs/dbraw/zinc/34/52/31/1029345231.db2.gz WFZADDQRTTWBFM-ARJAWSKDSA-N 1 2 339.414 3.541 20 0 EHADLO Cc1ccc2nc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cn2c1 ZINC000078499651 1029355344 /nfs/dbraw/zinc/35/53/44/1029355344.db2.gz PDEVXJDXDBOGDK-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1ccc2nc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)cn2c1 ZINC000078499651 1029355360 /nfs/dbraw/zinc/35/53/60/1029355360.db2.gz PDEVXJDXDBOGDK-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c[nH+]1 ZINC000455582589 1029364879 /nfs/dbraw/zinc/36/48/79/1029364879.db2.gz ZLMCRGPPDYOKML-OCCSQVGLSA-N 1 2 329.366 3.571 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000424856913 1029391098 /nfs/dbraw/zinc/39/10/98/1029391098.db2.gz VITGSRZPKNMXPU-GOSISDBHSA-N 1 2 348.450 3.842 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000505250051 1029405171 /nfs/dbraw/zinc/40/51/71/1029405171.db2.gz ZGCQITWWSTXXSD-CLWVCHIJSA-N 1 2 348.512 3.574 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000505250051 1029405184 /nfs/dbraw/zinc/40/51/84/1029405184.db2.gz ZGCQITWWSTXXSD-CLWVCHIJSA-N 1 2 348.512 3.574 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000078657986 1029406804 /nfs/dbraw/zinc/40/68/04/1029406804.db2.gz QECZRBJTEIPOHM-UHFFFAOYSA-N 1 2 330.815 3.536 20 0 EHADLO CCCCC1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000535975417 1029409191 /nfs/dbraw/zinc/40/91/91/1029409191.db2.gz UOVPGESHZUFSCR-AQFXKWCLSA-N 1 2 332.492 3.668 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272340169 1029424539 /nfs/dbraw/zinc/42/45/39/1029424539.db2.gz ONQFMTFCVZABMA-SFHVURJKSA-N 1 2 348.450 3.669 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000286263365 1029432762 /nfs/dbraw/zinc/43/27/62/1029432762.db2.gz BAXQRNWQIWXPAT-GXSJLCMTSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000286263365 1029432778 /nfs/dbraw/zinc/43/27/78/1029432778.db2.gz BAXQRNWQIWXPAT-GXSJLCMTSA-N 1 2 342.188 3.986 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000446161272 1029460659 /nfs/dbraw/zinc/46/06/59/1029460659.db2.gz KSPUXRNQXRRYMA-MRXNPFEDSA-N 1 2 338.455 3.560 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446411 1029461376 /nfs/dbraw/zinc/46/13/76/1029461376.db2.gz DBDZPIQQSMIDLO-TZMCWYRMSA-N 1 2 330.457 3.553 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446411 1029461383 /nfs/dbraw/zinc/46/13/83/1029461383.db2.gz DBDZPIQQSMIDLO-TZMCWYRMSA-N 1 2 330.457 3.553 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000583265253 1029468431 /nfs/dbraw/zinc/46/84/31/1029468431.db2.gz HXWZCYXNAZOHIZ-CRAIPNDOSA-N 1 2 343.446 3.878 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000505347972 1029475026 /nfs/dbraw/zinc/47/50/26/1029475026.db2.gz BNYGCICEPQWDCQ-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000505376390 1029496254 /nfs/dbraw/zinc/49/62/54/1029496254.db2.gz CLQKPGWKBRKTKQ-UHFFFAOYSA-N 1 2 333.435 3.979 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(c2)CC(C)(C)O3)c[nH+]1 ZINC000454971829 1029521336 /nfs/dbraw/zinc/52/13/36/1029521336.db2.gz WIYLWTRTWDUHJF-UHFFFAOYSA-N 1 2 325.412 3.734 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000272654966 1029551086 /nfs/dbraw/zinc/55/10/86/1029551086.db2.gz NPZAMRIPOSBLEX-GFCCVEGCSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000272654966 1029551098 /nfs/dbraw/zinc/55/10/98/1029551098.db2.gz NPZAMRIPOSBLEX-GFCCVEGCSA-N 1 2 342.226 3.825 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000125587534 1029556969 /nfs/dbraw/zinc/55/69/69/1029556969.db2.gz UUHHNQSTOIJYTM-LBPRGKRZSA-N 1 2 337.876 3.715 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000272722480 1029581758 /nfs/dbraw/zinc/58/17/58/1029581758.db2.gz ZTSSUZARWXADTE-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000272722480 1029581762 /nfs/dbraw/zinc/58/17/62/1029581762.db2.gz ZTSSUZARWXADTE-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000162416641 1029601533 /nfs/dbraw/zinc/60/15/33/1029601533.db2.gz NALMHLAKIUXMQZ-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO c1cc(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)cs1 ZINC000367321703 1029638345 /nfs/dbraw/zinc/63/83/45/1029638345.db2.gz JDYALLYVULOIQC-UHFFFAOYSA-N 1 2 336.482 3.630 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563299 1029659549 /nfs/dbraw/zinc/65/95/49/1029659549.db2.gz RNFAZEXFABCVEK-OAHLLOKOSA-N 1 2 332.448 3.589 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563299 1029659551 /nfs/dbraw/zinc/65/95/51/1029659551.db2.gz RNFAZEXFABCVEK-OAHLLOKOSA-N 1 2 332.448 3.589 20 0 EHADLO CCC[N@H+](Cc1noc(CC)n1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126339 1029699463 /nfs/dbraw/zinc/69/94/63/1029699463.db2.gz XLYSGSULLIPNHZ-HZPDHXFCSA-N 1 2 335.492 3.972 20 0 EHADLO CCC[N@@H+](Cc1noc(CC)n1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126339 1029699471 /nfs/dbraw/zinc/69/94/71/1029699471.db2.gz XLYSGSULLIPNHZ-HZPDHXFCSA-N 1 2 335.492 3.972 20 0 EHADLO CCc1nc(C)c(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)o1 ZINC000428448075 1029710083 /nfs/dbraw/zinc/71/00/83/1029710083.db2.gz OWVJNLCLZAMNTN-UHFFFAOYSA-N 1 2 330.428 3.727 20 0 EHADLO CCc1nc(C)c(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)o1 ZINC000428448075 1029710074 /nfs/dbraw/zinc/71/00/74/1029710074.db2.gz OWVJNLCLZAMNTN-UHFFFAOYSA-N 1 2 330.428 3.727 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@H]2C[C@H]2c2cccc(Cl)c2Cl)n1 ZINC000545134460 1029722817 /nfs/dbraw/zinc/72/28/17/1029722817.db2.gz VUUFLEUYULPZTK-RYUDHWBXSA-N 1 2 349.221 3.972 20 0 EHADLO CCOc1c(Cl)cc(C[N@H+](CC(=O)OC)[C@@H](C)CC)cc1OC ZINC000467513954 1029745064 /nfs/dbraw/zinc/74/50/64/1029745064.db2.gz UEBQMOSVMQMKFC-LBPRGKRZSA-N 1 2 343.851 3.521 20 0 EHADLO CCOc1c(Cl)cc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)cc1OC ZINC000467513954 1029745073 /nfs/dbraw/zinc/74/50/73/1029745073.db2.gz UEBQMOSVMQMKFC-LBPRGKRZSA-N 1 2 343.851 3.521 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cc2n(n1)CCCC2 ZINC000647289738 1029767430 /nfs/dbraw/zinc/76/74/30/1029767430.db2.gz GMVCRXJNLXITIX-OAHLLOKOSA-N 1 2 325.456 3.859 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536012470 1029773115 /nfs/dbraw/zinc/77/31/15/1029773115.db2.gz LEFKXAKDHXJOME-MRXNPFEDSA-N 1 2 337.533 3.790 20 0 EHADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000926487988 1029781916 /nfs/dbraw/zinc/78/19/16/1029781916.db2.gz QRNSCVRVTMEMEB-JGVFFNPUSA-N 1 2 328.185 3.691 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455632197 1029800307 /nfs/dbraw/zinc/80/03/07/1029800307.db2.gz USBBVSOCZSSUSF-JKSUJKDBSA-N 1 2 346.519 3.933 20 0 EHADLO Cc1ccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000080005635 1029807002 /nfs/dbraw/zinc/80/70/02/1029807002.db2.gz CNYWONYFEONWDG-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156455266 1029842355 /nfs/dbraw/zinc/84/23/55/1029842355.db2.gz ONDCMEZYEQEWEV-AWEZNQCLSA-N 1 2 349.438 3.549 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)n2)CC1 ZINC000448769677 1029846303 /nfs/dbraw/zinc/84/63/03/1029846303.db2.gz IJGFWSZJMRVWKP-YCPHGPKFSA-N 1 2 333.501 3.750 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035902 1029860552 /nfs/dbraw/zinc/86/05/52/1029860552.db2.gz PGZJEKQJUSXNBC-ZIAGYGMSSA-N 1 2 340.389 3.755 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035902 1029860556 /nfs/dbraw/zinc/86/05/56/1029860556.db2.gz PGZJEKQJUSXNBC-ZIAGYGMSSA-N 1 2 340.389 3.755 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@](=O)C1 ZINC000446974756 1029869268 /nfs/dbraw/zinc/86/92/68/1029869268.db2.gz LNEYFAJTWMRFJF-OWJWWREXSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@](=O)C1 ZINC000446974756 1029869276 /nfs/dbraw/zinc/86/92/76/1029869276.db2.gz LNEYFAJTWMRFJF-OWJWWREXSA-N 1 2 347.455 3.818 20 0 EHADLO Cn1c(NCc2cnc(C(F)(F)F)s2)[nH+]c2cccc(Cl)c21 ZINC000446971648 1029877137 /nfs/dbraw/zinc/87/71/37/1029877137.db2.gz GRQUOKLFKBZXGQ-UHFFFAOYSA-N 1 2 346.765 3.736 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCc2ccsc2C1 ZINC000760286739 1029880902 /nfs/dbraw/zinc/88/09/02/1029880902.db2.gz YEIZPKGKESDKAT-OAHLLOKOSA-N 1 2 332.856 3.691 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCc2ccsc2C1 ZINC000760286739 1029880906 /nfs/dbraw/zinc/88/09/06/1029880906.db2.gz YEIZPKGKESDKAT-OAHLLOKOSA-N 1 2 332.856 3.691 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H](C)Cc3ccccc31)C2 ZINC000475648735 1029883345 /nfs/dbraw/zinc/88/33/45/1029883345.db2.gz UTGRYIOTXVOQOB-ZBFHGGJFSA-N 1 2 337.467 3.863 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H](C)Cc3ccccc31)CC2 ZINC000475648735 1029883351 /nfs/dbraw/zinc/88/33/51/1029883351.db2.gz UTGRYIOTXVOQOB-ZBFHGGJFSA-N 1 2 337.467 3.863 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624743 1029903137 /nfs/dbraw/zinc/90/31/37/1029903137.db2.gz UCFQJULXLASJHO-LSDHHAIUSA-N 1 2 349.496 3.762 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624743 1029903156 /nfs/dbraw/zinc/90/31/56/1029903156.db2.gz UCFQJULXLASJHO-LSDHHAIUSA-N 1 2 349.496 3.762 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531869063 1029946668 /nfs/dbraw/zinc/94/66/68/1029946668.db2.gz YMJNSEYAIBHKFA-CQSZACIVSA-N 1 2 349.276 3.570 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531869063 1029946680 /nfs/dbraw/zinc/94/66/80/1029946680.db2.gz YMJNSEYAIBHKFA-CQSZACIVSA-N 1 2 349.276 3.570 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)c2cn[nH]n2)cc1 ZINC000453247473 1029975941 /nfs/dbraw/zinc/97/59/41/1029975941.db2.gz WKHGKPJUQZACCD-QUCCMNQESA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)c2c[nH]nn2)cc1 ZINC000453247473 1029975953 /nfs/dbraw/zinc/97/59/53/1029975953.db2.gz WKHGKPJUQZACCD-QUCCMNQESA-N 1 2 336.414 3.817 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000531899139 1030007762 /nfs/dbraw/zinc/00/77/62/1030007762.db2.gz DCMAFROZQKACDO-CQSZACIVSA-N 1 2 346.858 3.697 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531899139 1030007778 /nfs/dbraw/zinc/00/77/78/1030007778.db2.gz DCMAFROZQKACDO-CQSZACIVSA-N 1 2 346.858 3.697 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1OCC ZINC000453330533 1030062993 /nfs/dbraw/zinc/06/29/93/1030062993.db2.gz XCVSBDOFRADHRT-LBPRGKRZSA-N 1 2 337.851 3.722 20 0 EHADLO CCO[C@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000600632300 1030065573 /nfs/dbraw/zinc/06/55/73/1030065573.db2.gz IAKMIYKFMMCKGO-LJQANCHMSA-N 1 2 335.513 3.567 20 0 EHADLO CC(C)Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000892342560 1030067137 /nfs/dbraw/zinc/06/71/37/1030067137.db2.gz PWGJADYAOWECFY-UHFFFAOYSA-N 1 2 339.483 3.724 20 0 EHADLO CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(Cl)s1 ZINC000600623041 1030071678 /nfs/dbraw/zinc/07/16/78/1030071678.db2.gz HQWLUNKPFURQLE-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(Cl)s1 ZINC000600623041 1030071689 /nfs/dbraw/zinc/07/16/89/1030071689.db2.gz HQWLUNKPFURQLE-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000481873825 1030081068 /nfs/dbraw/zinc/08/10/68/1030081068.db2.gz LUJREXWYBVKPGN-XFQXTVEOSA-N 1 2 332.463 3.713 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)n1 ZINC000453314815 1030089434 /nfs/dbraw/zinc/08/94/34/1030089434.db2.gz IWHLELGUGIAWOU-ZDUSSCGKSA-N 1 2 344.768 3.655 20 0 EHADLO Cc1ccc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000156912312 1030115747 /nfs/dbraw/zinc/11/57/47/1030115747.db2.gz DAFYFMHSBPXTKU-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000612818834 1030129236 /nfs/dbraw/zinc/12/92/36/1030129236.db2.gz NHBIJQNRWTULPT-FRRDWIJNSA-N 1 2 328.909 3.726 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000612818834 1030129245 /nfs/dbraw/zinc/12/92/45/1030129245.db2.gz NHBIJQNRWTULPT-FRRDWIJNSA-N 1 2 328.909 3.726 20 0 EHADLO CCc1ncc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000657771540 1030131503 /nfs/dbraw/zinc/13/15/03/1030131503.db2.gz CVOPLVYWMXIJHL-GFCCVEGCSA-N 1 2 331.268 3.836 20 0 EHADLO Cc1cc(C)c(C[NH2+][C@H](C)c2ncc(Br)s2)cn1 ZINC000453344610 1030131738 /nfs/dbraw/zinc/13/17/38/1030131738.db2.gz DWFJRLQRJIQEGR-SNVBAGLBSA-N 1 2 326.263 3.768 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@H]1n1cc[nH+]c1 ZINC000128353790 1030149653 /nfs/dbraw/zinc/14/96/53/1030149653.db2.gz DTMCCTBAOBJOLX-SWLSCSKDSA-N 1 2 341.440 3.608 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000531968911 1030157729 /nfs/dbraw/zinc/15/77/29/1030157729.db2.gz CVLNHKMGFYLBRU-VIFPVBQESA-N 1 2 326.263 3.745 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(-c3ccccc3F)n2)c1 ZINC000525833657 1030160176 /nfs/dbraw/zinc/16/01/76/1030160176.db2.gz ILEGLHDYCBLRGW-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(-c3ccccc3F)n2)c1 ZINC000525833657 1030160184 /nfs/dbraw/zinc/16/01/84/1030160184.db2.gz ILEGLHDYCBLRGW-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO CC[C@H](C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447385867 1030177121 /nfs/dbraw/zinc/17/71/21/1030177121.db2.gz PIQROIDBEDPHQS-NSHDSACASA-N 1 2 329.271 3.877 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(Cl)c1Cl ZINC000657772346 1030185593 /nfs/dbraw/zinc/18/55/93/1030185593.db2.gz LTJZIKZOGFATGK-CYBMUJFWSA-N 1 2 340.206 3.545 20 0 EHADLO COCc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000537634487 1030189928 /nfs/dbraw/zinc/18/99/28/1030189928.db2.gz MLUPZGSVKFACCC-HNNXBMFYSA-N 1 2 348.874 3.958 20 0 EHADLO COCc1ccc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000537634487 1030189936 /nfs/dbraw/zinc/18/99/36/1030189936.db2.gz MLUPZGSVKFACCC-HNNXBMFYSA-N 1 2 348.874 3.958 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000121186994 1030202549 /nfs/dbraw/zinc/20/25/49/1030202549.db2.gz IDWRGHVFJPFQPI-CYBMUJFWSA-N 1 2 349.544 3.873 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000121186994 1030202566 /nfs/dbraw/zinc/20/25/66/1030202566.db2.gz IDWRGHVFJPFQPI-CYBMUJFWSA-N 1 2 349.544 3.873 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000157094126 1030260553 /nfs/dbraw/zinc/26/05/53/1030260553.db2.gz SYRGFYBVEZPVGG-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000157180407 1030329170 /nfs/dbraw/zinc/32/91/70/1030329170.db2.gz PJROBAFRVLCDCR-UHFFFAOYSA-N 1 2 330.775 3.531 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000091888945 1030332628 /nfs/dbraw/zinc/33/26/28/1030332628.db2.gz BCRPUGVJPCRLBN-UHFFFAOYSA-N 1 2 347.434 3.588 20 0 EHADLO Cc1[nH+]cc(CN(C)Cc2cc(Cl)cn2C)n1-c1ccccc1 ZINC000091930879 1030338613 /nfs/dbraw/zinc/33/86/13/1030338613.db2.gz FVTZLSABDDQOSI-UHFFFAOYSA-N 1 2 328.847 3.805 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3c[nH+]cn3C)n2)s1 ZINC000526003798 1030342944 /nfs/dbraw/zinc/34/29/44/1030342944.db2.gz KYWFSLKFTBVCGY-UHFFFAOYSA-N 1 2 346.481 3.739 20 0 EHADLO Cc1noc(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000278355503 1030344848 /nfs/dbraw/zinc/34/48/48/1030344848.db2.gz DOEWWXNEEBFUGV-UHFFFAOYSA-N 1 2 349.434 3.529 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121751032 1030354201 /nfs/dbraw/zinc/35/42/01/1030354201.db2.gz QPCZNGFCQKUXNY-NXHRZFHOSA-N 1 2 342.487 3.544 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(-c2ccccc2)o1 ZINC000343337629 1030356625 /nfs/dbraw/zinc/35/66/25/1030356625.db2.gz ATVIBPNWTKOLBT-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457809 1030372357 /nfs/dbraw/zinc/37/23/57/1030372357.db2.gz FIRRJOGWIRTACY-ZWNOBZJWSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457809 1030372378 /nfs/dbraw/zinc/37/23/78/1030372378.db2.gz FIRRJOGWIRTACY-ZWNOBZJWSA-N 1 2 342.386 3.986 20 0 EHADLO COc1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129235617 1030399195 /nfs/dbraw/zinc/39/91/95/1030399195.db2.gz HOHLUQFVLOSASR-BLLLJJGKSA-N 1 2 348.834 3.660 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCCCC1(F)F ZINC000448773362 1030399564 /nfs/dbraw/zinc/39/95/64/1030399564.db2.gz WZPSRVMPYRBOAJ-CYBMUJFWSA-N 1 2 343.443 3.893 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCSc2ccccc21)n1cc[nH+]c1 ZINC000635123461 1030399857 /nfs/dbraw/zinc/39/98/57/1030399857.db2.gz WWOFIPWMCSAUHJ-JKSUJKDBSA-N 1 2 329.469 3.824 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000447679661 1030413072 /nfs/dbraw/zinc/41/30/72/1030413072.db2.gz OJJKSOSGDPPPKY-AHRSYUTCSA-N 1 2 338.451 3.891 20 0 EHADLO CC(C)[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)c2ccccc21 ZINC000447665657 1030417267 /nfs/dbraw/zinc/41/72/67/1030417267.db2.gz DTGXYVWHFXVQOG-QGZVFWFLSA-N 1 2 338.455 3.853 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000092452455 1030456127 /nfs/dbraw/zinc/45/61/27/1030456127.db2.gz GJJSAXXTDFCSTK-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000092452455 1030456136 /nfs/dbraw/zinc/45/61/36/1030456136.db2.gz GJJSAXXTDFCSTK-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482128 1030465042 /nfs/dbraw/zinc/46/50/42/1030465042.db2.gz HCODUPHPQWMXMR-WFASDCNBSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482128 1030465050 /nfs/dbraw/zinc/46/50/50/1030465050.db2.gz HCODUPHPQWMXMR-WFASDCNBSA-N 1 2 329.893 3.754 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@H](c4cccs4)C3)c1)O[C@H](C)C2 ZINC000092593435 1030488196 /nfs/dbraw/zinc/48/81/96/1030488196.db2.gz PBMLRHANYNOUKB-DYVFJYSZSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@H](c4cccs4)C3)c1)O[C@H](C)C2 ZINC000092593435 1030488209 /nfs/dbraw/zinc/48/82/09/1030488209.db2.gz PBMLRHANYNOUKB-DYVFJYSZSA-N 1 2 345.464 3.654 20 0 EHADLO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1n[nH]cc1Br ZINC000532225745 1030493493 /nfs/dbraw/zinc/49/34/93/1030493493.db2.gz RAKKQRJVCIBCAO-PSLIRLAXSA-N 1 2 338.224 3.725 20 0 EHADLO CSCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129704646 1030532146 /nfs/dbraw/zinc/53/21/46/1030532146.db2.gz QEYGEETYGLIEGQ-RHSMWYFYSA-N 1 2 344.484 3.861 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000093080889 1030554152 /nfs/dbraw/zinc/55/41/52/1030554152.db2.gz LNCFFKDNWHTMRU-KRWDZBQOSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000093080889 1030554158 /nfs/dbraw/zinc/55/41/58/1030554158.db2.gz LNCFFKDNWHTMRU-KRWDZBQOSA-N 1 2 327.815 3.790 20 0 EHADLO COC(C)(C)C[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000532339888 1030561403 /nfs/dbraw/zinc/56/14/03/1030561403.db2.gz UCWMRAJUFYDLSJ-UHFFFAOYSA-N 1 2 338.448 3.718 20 0 EHADLO COC(C)(C)C[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000532339888 1030561418 /nfs/dbraw/zinc/56/14/18/1030561418.db2.gz UCWMRAJUFYDLSJ-UHFFFAOYSA-N 1 2 338.448 3.718 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(C)c1O ZINC000527010648 1030562513 /nfs/dbraw/zinc/56/25/13/1030562513.db2.gz AWIIPRWAAASLIO-CYBMUJFWSA-N 1 2 327.428 3.599 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(C)c1O ZINC000527010648 1030562526 /nfs/dbraw/zinc/56/25/26/1030562526.db2.gz AWIIPRWAAASLIO-CYBMUJFWSA-N 1 2 327.428 3.599 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(c3ccc(F)cc3)CC1)C2 ZINC000527013547 1030565906 /nfs/dbraw/zinc/56/59/06/1030565906.db2.gz CEGWOHWYIIHCAN-CYBMUJFWSA-N 1 2 341.430 3.583 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(c3ccc(F)cc3)CC1)CC2 ZINC000527013547 1030565924 /nfs/dbraw/zinc/56/59/24/1030565924.db2.gz CEGWOHWYIIHCAN-CYBMUJFWSA-N 1 2 341.430 3.583 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093273784 1030578576 /nfs/dbraw/zinc/57/85/76/1030578576.db2.gz ISDABARUHINDJS-FQEVSTJZSA-N 1 2 338.451 3.529 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cccnc1C)C1CC1 ZINC000093273784 1030578586 /nfs/dbraw/zinc/57/85/86/1030578586.db2.gz ISDABARUHINDJS-FQEVSTJZSA-N 1 2 338.451 3.529 20 0 EHADLO Cc1ccccc1Sc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000122349840 1030583152 /nfs/dbraw/zinc/58/31/52/1030583152.db2.gz JGKOYNJYNZEWDH-UHFFFAOYSA-N 1 2 337.448 3.773 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H]1c2ccccc2O[C@H]1C)c1ccccc1 ZINC000685192068 1030597006 /nfs/dbraw/zinc/59/70/06/1030597006.db2.gz UOCVAQGAWIXMBA-CWFSZBLJSA-N 1 2 338.451 3.708 20 0 EHADLO Nc1nc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)[nH+]c2ccccc12 ZINC000527073553 1030624746 /nfs/dbraw/zinc/62/47/46/1030624746.db2.gz HIGLQARPQZWYQT-QGZVFWFLSA-N 1 2 348.454 3.843 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CC2)c1F ZINC000668101522 1030626978 /nfs/dbraw/zinc/62/69/78/1030626978.db2.gz SYUPNLMQNUYQRQ-QGZVFWFLSA-N 1 2 329.419 3.828 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(OC2CC2)c1F ZINC000668101522 1030626992 /nfs/dbraw/zinc/62/69/92/1030626992.db2.gz SYUPNLMQNUYQRQ-QGZVFWFLSA-N 1 2 329.419 3.828 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064554968 1030666000 /nfs/dbraw/zinc/66/60/00/1030666000.db2.gz ABFLCXMSTIVTND-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064554968 1030666011 /nfs/dbraw/zinc/66/60/11/1030666011.db2.gz ABFLCXMSTIVTND-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC(C1CCC1)C1CCC1 ZINC000343406660 1030733225 /nfs/dbraw/zinc/73/32/25/1030733225.db2.gz NNJKORDVYCUOMS-UHFFFAOYSA-N 1 2 337.467 3.559 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cncc3ccccc31)C2 ZINC000527251992 1030738917 /nfs/dbraw/zinc/73/89/17/1030738917.db2.gz LDARPDAIPURFHY-CYBMUJFWSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cncc3ccccc31)CC2 ZINC000527251992 1030738935 /nfs/dbraw/zinc/73/89/35/1030738935.db2.gz LDARPDAIPURFHY-CYBMUJFWSA-N 1 2 334.423 3.825 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000042511447 1030741560 /nfs/dbraw/zinc/74/15/60/1030741560.db2.gz IUVULTUCRFALLL-MRXNPFEDSA-N 1 2 329.444 3.661 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000171388920 1030757742 /nfs/dbraw/zinc/75/77/42/1030757742.db2.gz FWJJVWYVWZIEJC-UHFFFAOYSA-N 1 2 346.381 3.810 20 0 EHADLO O=c1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c2ccc(O)cc2o1 ZINC000171618886 1030766981 /nfs/dbraw/zinc/76/69/81/1030766981.db2.gz SATLFPUDYUIYOM-UHFFFAOYSA-N 1 2 346.386 3.538 20 0 EHADLO O=c1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c2ccc(O)cc2o1 ZINC000171618886 1030766996 /nfs/dbraw/zinc/76/69/96/1030766996.db2.gz SATLFPUDYUIYOM-UHFFFAOYSA-N 1 2 346.386 3.538 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000537648050 1030788606 /nfs/dbraw/zinc/78/86/06/1030788606.db2.gz UZFQJPYCCLLQRR-UHFFFAOYSA-N 1 2 349.471 3.638 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000537648050 1030788616 /nfs/dbraw/zinc/78/86/16/1030788616.db2.gz UZFQJPYCCLLQRR-UHFFFAOYSA-N 1 2 349.471 3.638 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc2scnc2c1 ZINC000171542072 1030792477 /nfs/dbraw/zinc/79/24/77/1030792477.db2.gz MDHJBVYTQLPQQP-UHFFFAOYSA-N 1 2 341.440 3.705 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324227 1030793604 /nfs/dbraw/zinc/79/36/04/1030793604.db2.gz YZXJIOYRPJIIDM-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324227 1030793623 /nfs/dbraw/zinc/79/36/23/1030793623.db2.gz YZXJIOYRPJIIDM-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000668156319 1030810280 /nfs/dbraw/zinc/81/02/80/1030810280.db2.gz MMJVWMMJDCCUDP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000668156319 1030810304 /nfs/dbraw/zinc/81/03/04/1030810304.db2.gz MMJVWMMJDCCUDP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000016383787 1030828561 /nfs/dbraw/zinc/82/85/61/1030828561.db2.gz UPMKHMUSOBBXEF-QGZVFWFLSA-N 1 2 348.450 3.640 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000016383787 1030828586 /nfs/dbraw/zinc/82/85/86/1030828586.db2.gz UPMKHMUSOBBXEF-QGZVFWFLSA-N 1 2 348.450 3.640 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2cc[nH]c2c1 ZINC000194266188 1030849153 /nfs/dbraw/zinc/84/91/53/1030849153.db2.gz YYTDNGOTUQMMNS-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096642968 1030851594 /nfs/dbraw/zinc/85/15/94/1030851594.db2.gz UAZWYGJDPUOYOT-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO CCc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000537672141 1030939604 /nfs/dbraw/zinc/93/96/04/1030939604.db2.gz XFFJYEAYTDKHNY-UHFFFAOYSA-N 1 2 326.444 3.966 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448345346 1030995009 /nfs/dbraw/zinc/99/50/09/1030995009.db2.gz RWDRLJYCBIELBF-UHFFFAOYSA-N 1 2 338.517 3.994 20 0 EHADLO CCn1nc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c2ccccc21 ZINC000527618167 1031041661 /nfs/dbraw/zinc/04/16/61/1031041661.db2.gz HYVKPOSPDZBYFL-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO CCn1nc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c2ccccc21 ZINC000527618167 1031041684 /nfs/dbraw/zinc/04/16/84/1031041684.db2.gz HYVKPOSPDZBYFL-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC3(CCCC3)C1)C2 ZINC000476911812 1031066126 /nfs/dbraw/zinc/06/61/26/1031066126.db2.gz FGYCMJYPJLVJEA-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC3(CCCC3)C1)CC2 ZINC000476911812 1031066140 /nfs/dbraw/zinc/06/61/40/1031066140.db2.gz FGYCMJYPJLVJEA-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc([C@H](C)OCC)no2)cc1 ZINC000483264985 1031073815 /nfs/dbraw/zinc/07/38/15/1031073815.db2.gz AUWPFDPUTDSHOM-AWEZNQCLSA-N 1 2 347.459 3.981 20 0 EHADLO Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000476932511 1031076247 /nfs/dbraw/zinc/07/62/47/1031076247.db2.gz LPDQSFYIRXUJFC-UHFFFAOYSA-N 1 2 347.827 3.839 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000247495877 1031098782 /nfs/dbraw/zinc/09/87/82/1031098782.db2.gz MQIJKZSRDQHRBA-GZBLMMOJSA-N 1 2 337.533 3.686 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)c(C)s1 ZINC000343491445 1031109374 /nfs/dbraw/zinc/10/93/74/1031109374.db2.gz GCFRMPXUIRBGEH-JDFRZJQESA-N 1 2 343.496 3.710 20 0 EHADLO O[C@@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccsc1 ZINC000760551209 1031115043 /nfs/dbraw/zinc/11/50/43/1031115043.db2.gz OMVVZAQXKKEIBL-INIZCTEOSA-N 1 2 326.421 3.868 20 0 EHADLO Cc1ncsc1C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527655285 1031115863 /nfs/dbraw/zinc/11/58/63/1031115863.db2.gz ABDHTEMWWXTQMF-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO c1c(C[NH2+]Cc2ccc(N3CCCC3)nc2)noc1-c1ccccc1 ZINC000131895741 1031182222 /nfs/dbraw/zinc/18/22/22/1031182222.db2.gz MXJUTAGDULDSIR-UHFFFAOYSA-N 1 2 334.423 3.627 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@]3(c4ccccc4)CC3(C)C)[nH+]c12 ZINC000611794847 1031182619 /nfs/dbraw/zinc/18/26/19/1031182619.db2.gz KQSHXUMCKSUYFH-QFIPXVFZSA-N 1 2 347.462 3.669 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000174355940 1031201124 /nfs/dbraw/zinc/20/11/24/1031201124.db2.gz IJTQTQUENXCTKF-JQWIXIFHSA-N 1 2 330.856 3.634 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000174355940 1031201139 /nfs/dbraw/zinc/20/11/39/1031201139.db2.gz IJTQTQUENXCTKF-JQWIXIFHSA-N 1 2 330.856 3.634 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000483522377 1031209591 /nfs/dbraw/zinc/20/95/91/1031209591.db2.gz GCODCDIVOFQVLL-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000483522377 1031209610 /nfs/dbraw/zinc/20/96/10/1031209610.db2.gz GCODCDIVOFQVLL-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)oc1C ZINC000343527664 1031269227 /nfs/dbraw/zinc/26/92/27/1031269227.db2.gz LIOLUHZUOIGWOW-SFHVURJKSA-N 1 2 345.874 3.750 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000483710908 1031300940 /nfs/dbraw/zinc/30/09/40/1031300940.db2.gz NTARPUNAXDWAJX-NVXWUHKLSA-N 1 2 344.503 3.564 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000448629422 1031348887 /nfs/dbraw/zinc/34/88/87/1031348887.db2.gz HODGPZOBWGRECJ-UXHICEINSA-N 1 2 349.478 3.882 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483978307 1031412709 /nfs/dbraw/zinc/41/27/09/1031412709.db2.gz NQNKKKYARNAXJA-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483978307 1031412720 /nfs/dbraw/zinc/41/27/20/1031412720.db2.gz NQNKKKYARNAXJA-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO FC(F)(F)c1cnc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000278572623 1031430946 /nfs/dbraw/zinc/43/09/46/1031430946.db2.gz BCSUAGMPKPXQER-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000484062293 1031446036 /nfs/dbraw/zinc/44/60/36/1031446036.db2.gz CEDKLMFXTSWDMA-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000484062293 1031446046 /nfs/dbraw/zinc/44/60/46/1031446046.db2.gz CEDKLMFXTSWDMA-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347418275 1031505886 /nfs/dbraw/zinc/50/58/86/1031505886.db2.gz NMYCSABUTLXXGH-CYBMUJFWSA-N 1 2 346.500 3.502 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc2[nH]ccc21 ZINC000171395233 1031547243 /nfs/dbraw/zinc/54/72/43/1031547243.db2.gz QFZVSASGCKRAQK-UHFFFAOYSA-N 1 2 349.438 3.875 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000477441393 1031548925 /nfs/dbraw/zinc/54/89/25/1031548925.db2.gz VDARVVAZRKLJKZ-IERDGZPVSA-N 1 2 345.446 3.985 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177547899 1031551752 /nfs/dbraw/zinc/55/17/52/1031551752.db2.gz MWPDDQNIUHHNFF-SJLPKXTDSA-N 1 2 325.456 3.579 20 0 EHADLO CCC[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347434145 1031576176 /nfs/dbraw/zinc/57/61/76/1031576176.db2.gz QRBGJXPOCOEYCY-ZWKOTPCHSA-N 1 2 325.456 3.710 20 0 EHADLO COC1(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CCCCCC1 ZINC000903997094 1031598987 /nfs/dbraw/zinc/59/89/87/1031598987.db2.gz PHPWISUITAFWNI-UHFFFAOYSA-N 1 2 340.427 3.812 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527986461 1031602281 /nfs/dbraw/zinc/60/22/81/1031602281.db2.gz MAVJMWDIOGLWFQ-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn3ccsc3n1)CCC2 ZINC000177896616 1031636806 /nfs/dbraw/zinc/63/68/06/1031636806.db2.gz RMCZYEGKJJNOBP-ZDUSSCGKSA-N 1 2 332.498 3.924 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn3ccsc3n1)CCC2 ZINC000177896616 1031636821 /nfs/dbraw/zinc/63/68/21/1031636821.db2.gz RMCZYEGKJJNOBP-ZDUSSCGKSA-N 1 2 332.498 3.924 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178217646 1031642686 /nfs/dbraw/zinc/64/26/86/1031642686.db2.gz DIDCEHDMRQQICN-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)n2)C1 ZINC000448771670 1031658666 /nfs/dbraw/zinc/65/86/66/1031658666.db2.gz QDVCHBBOFYXFAB-NYTXWWLZSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)n2)C1 ZINC000448771670 1031658674 /nfs/dbraw/zinc/65/86/74/1031658674.db2.gz QDVCHBBOFYXFAB-NYTXWWLZSA-N 1 2 333.501 3.750 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551806732 1031665569 /nfs/dbraw/zinc/66/55/69/1031665569.db2.gz ZIFWKZJCUHEIJY-CQDKDKBSSA-N 1 2 329.362 3.883 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508635898 1031671439 /nfs/dbraw/zinc/67/14/39/1031671439.db2.gz ZRWZZOWZUVDAHU-XHBSWPGZSA-N 1 2 342.842 3.551 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178383779 1031689819 /nfs/dbraw/zinc/68/98/19/1031689819.db2.gz HTCMCUQLGCEMAJ-UHFFFAOYSA-N 1 2 334.206 3.500 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(C(=O)N(C)C)c(C)c2)n1-c1ccccc1 ZINC000194919843 1031697705 /nfs/dbraw/zinc/69/77/05/1031697705.db2.gz DWFHQSIAPQFNGA-UHFFFAOYSA-N 1 2 348.450 3.803 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000178915099 1031720206 /nfs/dbraw/zinc/72/02/06/1031720206.db2.gz FOCVBZBEQPKKGY-AWEZNQCLSA-N 1 2 349.805 3.569 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000178915099 1031720218 /nfs/dbraw/zinc/72/02/18/1031720218.db2.gz FOCVBZBEQPKKGY-AWEZNQCLSA-N 1 2 349.805 3.569 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2Br)c1 ZINC000278629045 1031723560 /nfs/dbraw/zinc/72/35/60/1031723560.db2.gz GRVLBDGBWYZPQE-JTQLQIEISA-N 1 2 338.201 3.680 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CC12CCSCC2 ZINC000448833376 1031743393 /nfs/dbraw/zinc/74/33/93/1031743393.db2.gz GRZYWMNZVMUDJH-ZDUSSCGKSA-N 1 2 347.871 3.998 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000179166155 1031756061 /nfs/dbraw/zinc/75/60/61/1031756061.db2.gz DAXPUSQEAWXMDN-MRXNPFEDSA-N 1 2 343.427 3.772 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000179166155 1031756074 /nfs/dbraw/zinc/75/60/74/1031756074.db2.gz DAXPUSQEAWXMDN-MRXNPFEDSA-N 1 2 343.427 3.772 20 0 EHADLO CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117576148 1031757270 /nfs/dbraw/zinc/75/72/70/1031757270.db2.gz PEBLRYILXWUMRO-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000117582560 1031759593 /nfs/dbraw/zinc/75/95/93/1031759593.db2.gz UJXWHJZMNAASGB-CYBMUJFWSA-N 1 2 339.370 3.511 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1nc(C(F)(F)F)cs1 ZINC000278637726 1031773042 /nfs/dbraw/zinc/77/30/42/1031773042.db2.gz FWPVMNAJWKRPEF-ZETCQYMHSA-N 1 2 336.408 3.535 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@H]1c1cccs1 ZINC000343653874 1031796535 /nfs/dbraw/zinc/79/65/35/1031796535.db2.gz BKRGSQRUIAPOIB-PMPSAXMXSA-N 1 2 341.480 3.579 20 0 EHADLO CCOc1ccc(OC)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635499837 1031810308 /nfs/dbraw/zinc/81/03/08/1031810308.db2.gz CBPAECZUGXTOCF-MRXNPFEDSA-N 1 2 331.416 3.516 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C2(c3cc(F)cc(F)c3)CCCC2)n1 ZINC000528160912 1031813919 /nfs/dbraw/zinc/81/39/19/1031813919.db2.gz YFMUSMCRQNWDNM-UHFFFAOYSA-N 1 2 344.365 3.532 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cn1 ZINC000584148652 1031815233 /nfs/dbraw/zinc/81/52/33/1031815233.db2.gz ONCPPPPKAJPAPU-CYBMUJFWSA-N 1 2 345.397 3.779 20 0 EHADLO C[C@H]1CC(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)C1 ZINC000180136350 1031819387 /nfs/dbraw/zinc/81/93/87/1031819387.db2.gz PBDOQDGNBTVYGR-HZPDHXFCSA-N 1 2 325.456 3.620 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)s1 ZINC000086235595 1031820196 /nfs/dbraw/zinc/82/01/96/1031820196.db2.gz KPVXMIPHVYILNI-CYBMUJFWSA-N 1 2 332.469 3.745 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)s1 ZINC000086235595 1031820216 /nfs/dbraw/zinc/82/02/16/1031820216.db2.gz KPVXMIPHVYILNI-CYBMUJFWSA-N 1 2 332.469 3.745 20 0 EHADLO C[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1c[nH]c2ccccc21 ZINC000278652239 1031824151 /nfs/dbraw/zinc/82/41/51/1031824151.db2.gz MGNXFOCOWLUURG-HNNXBMFYSA-N 1 2 336.439 3.722 20 0 EHADLO Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117749784 1031847129 /nfs/dbraw/zinc/84/71/29/1031847129.db2.gz AVTUJAYZHSWXQI-FQEVSTJZSA-N 1 2 348.450 3.968 20 0 EHADLO C[C@@H]1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1 ZINC000180401726 1031850580 /nfs/dbraw/zinc/85/05/80/1031850580.db2.gz CAKMSDQCMQWHHO-HOTGVXAUSA-N 1 2 330.472 3.530 20 0 EHADLO OCCC[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000278665769 1031886090 /nfs/dbraw/zinc/88/60/90/1031886090.db2.gz NPOSNEZMBIEKEL-LBPRGKRZSA-N 1 2 330.375 3.765 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2cn(C)nc2-c2cccs2)s1 ZINC000180559161 1031887075 /nfs/dbraw/zinc/88/70/75/1031887075.db2.gz XOMZPYUKPPKBOE-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2cn(C)nc2-c2cccs2)s1 ZINC000180559161 1031887096 /nfs/dbraw/zinc/88/70/96/1031887096.db2.gz XOMZPYUKPPKBOE-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2[C@@H]3c4ccc(Cl)cc4C[C@@H]32)n1 ZINC000904262835 1031890472 /nfs/dbraw/zinc/89/04/72/1031890472.db2.gz LTZJMRAIGAXMMD-NUEKZKHPSA-N 1 2 338.798 3.729 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180747351 1031907312 /nfs/dbraw/zinc/90/73/12/1031907312.db2.gz YMOPXYFZOPNHLO-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180747351 1031907328 /nfs/dbraw/zinc/90/73/28/1031907328.db2.gz YMOPXYFZOPNHLO-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000455910587 1031960531 /nfs/dbraw/zinc/96/05/31/1031960531.db2.gz PVBZNIWZTWTBDD-YOEHRIQHSA-N 1 2 342.443 3.569 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482291 1031993909 /nfs/dbraw/zinc/99/39/09/1031993909.db2.gz ZKCYWEDVIWBGTH-SJORKVTESA-N 1 2 346.519 3.906 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482291 1031993926 /nfs/dbraw/zinc/99/39/26/1031993926.db2.gz ZKCYWEDVIWBGTH-SJORKVTESA-N 1 2 346.519 3.906 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460738516 1032005732 /nfs/dbraw/zinc/00/57/32/1032005732.db2.gz UUHBXODDMNCCRM-RXVVDRJESA-N 1 2 347.462 3.804 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000449019307 1032033982 /nfs/dbraw/zinc/03/39/82/1032033982.db2.gz QWWIKTBVWMRSTF-ZDUSSCGKSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000449019307 1032033999 /nfs/dbraw/zinc/03/39/99/1032033999.db2.gz QWWIKTBVWMRSTF-ZDUSSCGKSA-N 1 2 338.224 3.622 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CC1CCC(F)(F)CC1)c1cccs1 ZINC000459403603 1032047554 /nfs/dbraw/zinc/04/75/54/1032047554.db2.gz HTTDCPFPKBVUED-AWEZNQCLSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1)c1cccs1 ZINC000459403603 1032047561 /nfs/dbraw/zinc/04/75/61/1032047561.db2.gz HTTDCPFPKBVUED-AWEZNQCLSA-N 1 2 343.439 3.847 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cc4cccnc4o3)CC2)s1 ZINC000449008727 1032049062 /nfs/dbraw/zinc/04/90/62/1032049062.db2.gz ROZBREUZMOKHMD-UHFFFAOYSA-N 1 2 347.871 3.861 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)cc1OC ZINC000449007851 1032050083 /nfs/dbraw/zinc/05/00/83/1032050083.db2.gz NNYHFTIBGCNPAM-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)cc1OC ZINC000449007851 1032050096 /nfs/dbraw/zinc/05/00/96/1032050096.db2.gz NNYHFTIBGCNPAM-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C)CCC(F)(F)CC2)c1C ZINC000528311457 1032056637 /nfs/dbraw/zinc/05/66/37/1032056637.db2.gz LORWGEYWIKZNOR-UHFFFAOYSA-N 1 2 340.414 3.881 20 0 EHADLO C[C@H](CC(=O)NCCCCc1ccc(Cl)s1)n1cc[nH+]c1 ZINC000574576739 1033303478 /nfs/dbraw/zinc/30/34/78/1033303478.db2.gz QOZNJPDFFQSCGO-GFCCVEGCSA-N 1 2 325.865 3.688 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000685415011 1033305189 /nfs/dbraw/zinc/30/51/89/1033305189.db2.gz COLQXSVYEFZLMP-HXUWFJFHSA-N 1 2 348.450 3.921 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000685415011 1033305191 /nfs/dbraw/zinc/30/51/91/1033305191.db2.gz COLQXSVYEFZLMP-HXUWFJFHSA-N 1 2 348.450 3.921 20 0 EHADLO CC(C)[N@H+](C)Cc1nc(COc2cccc(C(F)(F)F)c2)no1 ZINC000528236118 1033348962 /nfs/dbraw/zinc/34/89/62/1033348962.db2.gz QTMKOYVPAZOFSF-UHFFFAOYSA-N 1 2 329.322 3.508 20 0 EHADLO CC(C)[N@@H+](C)Cc1nc(COc2cccc(C(F)(F)F)c2)no1 ZINC000528236118 1033348975 /nfs/dbraw/zinc/34/89/75/1033348975.db2.gz QTMKOYVPAZOFSF-UHFFFAOYSA-N 1 2 329.322 3.508 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000529097419 1033391272 /nfs/dbraw/zinc/39/12/72/1033391272.db2.gz AZCYTZHETYDWIW-MRXNPFEDSA-N 1 2 341.459 3.664 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000170652852 1033399496 /nfs/dbraw/zinc/39/94/96/1033399496.db2.gz KTMLJNIMCMGERJ-CQSZACIVSA-N 1 2 345.443 3.659 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000170652852 1033399510 /nfs/dbraw/zinc/39/95/10/1033399510.db2.gz KTMLJNIMCMGERJ-CQSZACIVSA-N 1 2 345.443 3.659 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC2CCC(C)(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000533967487 1033432417 /nfs/dbraw/zinc/43/24/17/1033432417.db2.gz SPQVYIGDQAPCRU-NVXWUHKLSA-N 1 2 332.492 3.692 20 0 EHADLO CCCCN(C(=O)NCc1c[nH+]cn1C)[C@@H](CC)c1ccccc1 ZINC000358128761 1033444398 /nfs/dbraw/zinc/44/43/98/1033444398.db2.gz COXZLSVDOFUCRU-SFHVURJKSA-N 1 2 328.460 3.883 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)CC1 ZINC000141485332 1033459565 /nfs/dbraw/zinc/45/95/65/1033459565.db2.gz OZOJYPHWVBYWGB-UHFFFAOYSA-N 1 2 338.864 3.609 20 0 EHADLO Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(Cl)c1Cl ZINC000449957319 1033491312 /nfs/dbraw/zinc/49/13/12/1033491312.db2.gz CEDVFVNDTFATLN-JTQLQIEISA-N 1 2 326.227 3.564 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1CCC(c2ccccc2)CC1 ZINC000608134351 1033512248 /nfs/dbraw/zinc/51/22/48/1033512248.db2.gz VMBFXWATFQCDIS-UHFFFAOYSA-N 1 2 325.456 3.754 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1)C2 ZINC001168289763 1033529106 /nfs/dbraw/zinc/52/91/06/1033529106.db2.gz VGBHUJMZMIPPSP-AZUAARDMSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1)C2 ZINC001168289763 1033529115 /nfs/dbraw/zinc/52/91/15/1033529115.db2.gz VGBHUJMZMIPPSP-AZUAARDMSA-N 1 2 343.854 3.889 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000131309994 1033555744 /nfs/dbraw/zinc/55/57/44/1033555744.db2.gz ACPAYIWYLLOVGS-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000131309994 1033555750 /nfs/dbraw/zinc/55/57/50/1033555750.db2.gz ACPAYIWYLLOVGS-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000106240324 1033559475 /nfs/dbraw/zinc/55/94/75/1033559475.db2.gz JBOZFODOXVHUGL-WOPDTQHZSA-N 1 2 337.876 3.713 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000143604347 1033566630 /nfs/dbraw/zinc/56/66/30/1033566630.db2.gz DNWRLGZWJJNHLE-HNNXBMFYSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccc1OC(C)C ZINC000608326515 1033603452 /nfs/dbraw/zinc/60/34/52/1033603452.db2.gz RTWGVCKDKGJSDE-UHFFFAOYSA-N 1 2 330.432 3.581 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@@H]1c1ccccc1 ZINC000608313445 1033614019 /nfs/dbraw/zinc/61/40/19/1033614019.db2.gz XZKMALWWEJBNQD-YJBOKZPZSA-N 1 2 334.423 3.992 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000685605458 1033616878 /nfs/dbraw/zinc/61/68/78/1033616878.db2.gz MKNGZOPHZKMHTB-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000685605458 1033616886 /nfs/dbraw/zinc/61/68/86/1033616886.db2.gz MKNGZOPHZKMHTB-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000685605459 1033617194 /nfs/dbraw/zinc/61/71/94/1033617194.db2.gz MKNGZOPHZKMHTB-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000685605459 1033617201 /nfs/dbraw/zinc/61/72/01/1033617201.db2.gz MKNGZOPHZKMHTB-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000529228358 1033633396 /nfs/dbraw/zinc/63/33/96/1033633396.db2.gz ZGZRGWDCKIPCOB-CQSZACIVSA-N 1 2 327.428 3.917 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(C)CCC[C@H]1C ZINC000450052119 1033670191 /nfs/dbraw/zinc/67/01/91/1033670191.db2.gz YPKUZHBRBSNDKD-UTKZUKDTSA-N 1 2 343.515 3.973 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(C)CC=CCC1 ZINC000450051770 1033670395 /nfs/dbraw/zinc/67/03/95/1033670395.db2.gz XPJZMPVEBOMNBB-OAQYLSRUSA-N 1 2 341.499 3.893 20 0 EHADLO CCCC[C@H](CC)COCCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC001168115169 1033721176 /nfs/dbraw/zinc/72/11/76/1033721176.db2.gz WHTNASHSQCWLEF-INIZCTEOSA-N 1 2 336.476 3.832 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000608497979 1033725931 /nfs/dbraw/zinc/72/59/31/1033725931.db2.gz KVGIBPNTJDFRMD-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000608497979 1033725948 /nfs/dbraw/zinc/72/59/48/1033725948.db2.gz KVGIBPNTJDFRMD-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCCCC[C@H]2c2ccco2)n1 ZINC000608501749 1033734519 /nfs/dbraw/zinc/73/45/19/1033734519.db2.gz WSQAFPUMQPZJJK-NSHDSACASA-N 1 2 329.322 3.885 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCCCC[C@H]2c2ccco2)n1 ZINC000608501749 1033734523 /nfs/dbraw/zinc/73/45/23/1033734523.db2.gz WSQAFPUMQPZJJK-NSHDSACASA-N 1 2 329.322 3.885 20 0 EHADLO O=C([C@H]1CCCC12CC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529272834 1033748433 /nfs/dbraw/zinc/74/84/33/1033748433.db2.gz PRQCJHDQMIMOTB-NVXWUHKLSA-N 1 2 327.472 3.506 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000574986976 1033751128 /nfs/dbraw/zinc/75/11/28/1033751128.db2.gz WEDOWLLXQLXQFP-HNNXBMFYSA-N 1 2 339.414 3.645 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000574986976 1033751144 /nfs/dbraw/zinc/75/11/44/1033751144.db2.gz WEDOWLLXQLXQFP-HNNXBMFYSA-N 1 2 339.414 3.645 20 0 EHADLO CCOc1ccccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608553618 1033756882 /nfs/dbraw/zinc/75/68/82/1033756882.db2.gz MCBJEIDYASBAHA-GOSISDBHSA-N 1 2 349.434 3.533 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)CC[C@H]1C(=O)OC(C)(C)C ZINC000599150906 1033765410 /nfs/dbraw/zinc/76/54/10/1033765410.db2.gz UBVQWQGKIQMFJG-UONOGXRCSA-N 1 2 341.455 3.621 20 0 EHADLO O=C(C[NH+]1C2CCCC1CCC2)Nc1ccccc1Br ZINC000608564878 1033767957 /nfs/dbraw/zinc/76/79/57/1033767957.db2.gz FXJZXYIZIDPVFZ-UHFFFAOYSA-N 1 2 337.261 3.795 20 0 EHADLO CC(=O)Nc1nc(C[N@H+](C)CCc2cccc3ccccc32)cs1 ZINC000101556433 1033786321 /nfs/dbraw/zinc/78/63/21/1033786321.db2.gz BAWSRMUGONWSFW-UHFFFAOYSA-N 1 2 339.464 3.929 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+](C)CCc2cccc3ccccc32)cs1 ZINC000101556433 1033786335 /nfs/dbraw/zinc/78/63/35/1033786335.db2.gz BAWSRMUGONWSFW-UHFFFAOYSA-N 1 2 339.464 3.929 20 0 EHADLO O=C(NC1(c2c(Cl)cccc2Cl)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635682001 1033804275 /nfs/dbraw/zinc/80/42/75/1033804275.db2.gz PKFMQNLJHFWFJV-NXEZZACHSA-N 1 2 336.222 3.626 20 0 EHADLO O=C(NC1(c2c(Cl)cccc2Cl)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635682001 1033804283 /nfs/dbraw/zinc/80/42/83/1033804283.db2.gz PKFMQNLJHFWFJV-NXEZZACHSA-N 1 2 336.222 3.626 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(C(C)(C)C)c2)no1 ZINC000595489073 1033810707 /nfs/dbraw/zinc/81/07/07/1033810707.db2.gz JOADHJAMMSUHEO-UHFFFAOYSA-N 1 2 330.428 3.784 20 0 EHADLO C[C@H](CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC000650899788 1033826046 /nfs/dbraw/zinc/82/60/46/1033826046.db2.gz PDEJJKPSMJGWFS-GFCCVEGCSA-N 1 2 337.345 3.659 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc3cc[nH]c32)[nH+]1 ZINC000174266846 1033854701 /nfs/dbraw/zinc/85/47/01/1033854701.db2.gz AWXNWDAIOKXYCJ-UHFFFAOYSA-N 1 2 338.407 3.678 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(Cl)s2)C1 ZINC000595621339 1033906395 /nfs/dbraw/zinc/90/63/95/1033906395.db2.gz MTGQZZHPTYXPQY-BDAKNGLRSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000595621339 1033906408 /nfs/dbraw/zinc/90/64/08/1033906408.db2.gz MTGQZZHPTYXPQY-BDAKNGLRSA-N 1 2 341.782 3.575 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000450229926 1033948042 /nfs/dbraw/zinc/94/80/42/1033948042.db2.gz OVLPNAWQCLCXEF-UHFFFAOYSA-N 1 2 335.494 3.706 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000450229926 1033948046 /nfs/dbraw/zinc/94/80/46/1033948046.db2.gz OVLPNAWQCLCXEF-UHFFFAOYSA-N 1 2 335.494 3.706 20 0 EHADLO CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1cccc(F)c1 ZINC000450248531 1033988764 /nfs/dbraw/zinc/98/87/64/1033988764.db2.gz SCULGEUVQNRCLR-UHFFFAOYSA-N 1 2 326.375 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1cccc(F)c1 ZINC000450248531 1033988783 /nfs/dbraw/zinc/98/87/83/1033988783.db2.gz SCULGEUVQNRCLR-UHFFFAOYSA-N 1 2 326.375 3.601 20 0 EHADLO Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4[nH+]ccn4c3)c12 ZINC000603886543 1034010405 /nfs/dbraw/zinc/01/04/05/1034010405.db2.gz YTBDKNDREXADOS-UHFFFAOYSA-N 1 2 335.367 3.555 20 0 EHADLO COCc1nnc(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000658156261 1034012139 /nfs/dbraw/zinc/01/21/39/1034012139.db2.gz HSTPUCHMYJVNTN-HZPDHXFCSA-N 1 2 348.878 3.811 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591805 1034030231 /nfs/dbraw/zinc/03/02/31/1034030231.db2.gz WBBYTRPQPAXEQK-QAPCUYQASA-N 1 2 347.503 3.798 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591805 1034030248 /nfs/dbraw/zinc/03/02/48/1034030248.db2.gz WBBYTRPQPAXEQK-QAPCUYQASA-N 1 2 347.503 3.798 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869240 1034033315 /nfs/dbraw/zinc/03/33/15/1034033315.db2.gz CANUOEZCKVSFBC-QZTJIDSGSA-N 1 2 340.471 3.678 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599594440 1034033773 /nfs/dbraw/zinc/03/37/73/1034033773.db2.gz HCCYVPYZZGKWGU-DZGCQCFKSA-N 1 2 346.427 3.734 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599594440 1034033785 /nfs/dbraw/zinc/03/37/85/1034033785.db2.gz HCCYVPYZZGKWGU-DZGCQCFKSA-N 1 2 346.427 3.734 20 0 EHADLO CCn1cc(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000658175423 1034041071 /nfs/dbraw/zinc/04/10/71/1034041071.db2.gz AJKJWFNXBCWILE-CYBMUJFWSA-N 1 2 341.242 3.608 20 0 EHADLO C[C@@H]1CC=C(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000456019240 1034054479 /nfs/dbraw/zinc/05/44/79/1034054479.db2.gz FKSCQWSQBZYOSW-OAHLLOKOSA-N 1 2 327.472 3.672 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1 ZINC000118970213 1034065755 /nfs/dbraw/zinc/06/57/55/1034065755.db2.gz RXBHQHGPRRQWQM-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1 ZINC000118970213 1034065769 /nfs/dbraw/zinc/06/57/69/1034065769.db2.gz RXBHQHGPRRQWQM-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO CC(C)c1cccc(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000118974942 1034069490 /nfs/dbraw/zinc/06/94/90/1034069490.db2.gz MGZBQXQUQBWLSY-UHFFFAOYSA-N 1 2 348.406 3.573 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895119 1034074077 /nfs/dbraw/zinc/07/40/77/1034074077.db2.gz AUGPDSYRNKRHCB-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H]2CCCn3ccnc32)s1 ZINC000658227276 1034087267 /nfs/dbraw/zinc/08/72/67/1034087267.db2.gz YPKGKBKVAZQRIR-LLVKDONJSA-N 1 2 326.263 3.640 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)s1 ZINC000599699370 1034101672 /nfs/dbraw/zinc/10/16/72/1034101672.db2.gz RSXVANBPJZZQBT-UHFFFAOYSA-N 1 2 337.391 3.982 20 0 EHADLO CCC[N@H+](Cc1cn(CC2CC2)nn1)[C@H](C)c1ccccc1OC ZINC000450306403 1034104332 /nfs/dbraw/zinc/10/43/32/1034104332.db2.gz SZBXZRSXKSUYJG-OAHLLOKOSA-N 1 2 328.460 3.670 20 0 EHADLO CCC[N@@H+](Cc1cn(CC2CC2)nn1)[C@H](C)c1ccccc1OC ZINC000450306403 1034104343 /nfs/dbraw/zinc/10/43/43/1034104343.db2.gz SZBXZRSXKSUYJG-OAHLLOKOSA-N 1 2 328.460 3.670 20 0 EHADLO CCC[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120781714 1034104675 /nfs/dbraw/zinc/10/46/75/1034104675.db2.gz RBWMWWDSOKUVDY-HKUYNNGSSA-N 1 2 339.483 3.785 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000119271244 1034105705 /nfs/dbraw/zinc/10/57/05/1034105705.db2.gz UVWCEQQRSOSZIP-CQSZACIVSA-N 1 2 345.512 3.874 20 0 EHADLO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658240589 1034111713 /nfs/dbraw/zinc/11/17/13/1034111713.db2.gz ZODXXQSHKOFSLM-ZDUSSCGKSA-N 1 2 347.484 3.518 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000596216661 1034122172 /nfs/dbraw/zinc/12/21/72/1034122172.db2.gz QABXDGQIDLKYEW-KOMQPUFPSA-N 1 2 330.815 3.809 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000596217922 1034124171 /nfs/dbraw/zinc/12/41/71/1034124171.db2.gz PJJWWMXMGDSBJS-UHFFFAOYSA-N 1 2 344.842 3.835 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000596226099 1034126156 /nfs/dbraw/zinc/12/61/56/1034126156.db2.gz VGSJOZKCVUGBCX-WBVHZDCISA-N 1 2 328.387 3.684 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cs1 ZINC000892431483 1034153211 /nfs/dbraw/zinc/15/32/11/1034153211.db2.gz QQLLDOVYODKWTB-LBPRGKRZSA-N 1 2 345.390 3.682 20 0 EHADLO CCCCNC(=O)[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000534143615 1034160038 /nfs/dbraw/zinc/16/00/38/1034160038.db2.gz AITMJDLVWRWQJY-MRXNPFEDSA-N 1 2 346.519 3.856 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](c3ccnn3C)C2)nc(C(C)C)[nH+]1 ZINC000534143663 1034160922 /nfs/dbraw/zinc/16/09/22/1034160922.db2.gz BPMHLWLWXKRLKA-OAHLLOKOSA-N 1 2 327.476 3.841 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)[C@H]1CCOC1 ZINC000450353097 1034183616 /nfs/dbraw/zinc/18/36/16/1034183616.db2.gz DHPAKHKMFBGKBX-ZJUUUORDSA-N 1 2 339.208 3.973 20 0 EHADLO C[C@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)[C@@H]1CCOC1 ZINC000450353096 1034184983 /nfs/dbraw/zinc/18/49/83/1034184983.db2.gz DHPAKHKMFBGKBX-VHSXEESVSA-N 1 2 339.208 3.973 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000119640382 1034217495 /nfs/dbraw/zinc/21/74/95/1034217495.db2.gz XFIQLZMIKAPGCB-WMLDXEAASA-N 1 2 347.434 3.607 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000119640382 1034217511 /nfs/dbraw/zinc/21/75/11/1034217511.db2.gz XFIQLZMIKAPGCB-WMLDXEAASA-N 1 2 347.434 3.607 20 0 EHADLO CCOc1cc(C[N@H+](Cc2cccnc2)C2CC2)c(F)cc1OC ZINC000529568292 1034222943 /nfs/dbraw/zinc/22/29/43/1034222943.db2.gz WRCABYHKMPHKFR-UHFFFAOYSA-N 1 2 330.403 3.793 20 0 EHADLO CCOc1cc(C[N@@H+](Cc2cccnc2)C2CC2)c(F)cc1OC ZINC000529568292 1034222957 /nfs/dbraw/zinc/22/29/57/1034222957.db2.gz WRCABYHKMPHKFR-UHFFFAOYSA-N 1 2 330.403 3.793 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000119713938 1034229331 /nfs/dbraw/zinc/22/93/31/1034229331.db2.gz MBDPMJRKKQWYSH-SJORKVTESA-N 1 2 327.472 3.638 20 0 EHADLO C[N@H+](Cc1ccsc1Br)[C@H](CO)c1ccccc1 ZINC000529588573 1034247493 /nfs/dbraw/zinc/24/74/93/1034247493.db2.gz GOMRPRMZTXVBGQ-CYBMUJFWSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@@H+](Cc1ccsc1Br)[C@H](CO)c1ccccc1 ZINC000529588573 1034247507 /nfs/dbraw/zinc/24/75/07/1034247507.db2.gz GOMRPRMZTXVBGQ-CYBMUJFWSA-N 1 2 326.259 3.676 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccn(CC(F)(F)F)n2)s1 ZINC000450384915 1034243192 /nfs/dbraw/zinc/24/31/92/1034243192.db2.gz CLFLUBUVMQLBOJ-SNVBAGLBSA-N 1 2 332.395 3.712 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccn(CC(F)(F)F)n2)s1 ZINC000450384915 1034243210 /nfs/dbraw/zinc/24/32/10/1034243210.db2.gz CLFLUBUVMQLBOJ-SNVBAGLBSA-N 1 2 332.395 3.712 20 0 EHADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000456298636 1034288928 /nfs/dbraw/zinc/28/89/28/1034288928.db2.gz RUPJHTGXMHDASU-RTBURBONSA-N 1 2 325.456 3.684 20 0 EHADLO O=[S@@](CCNc1cc(C2CC2)[nH+]c(C2CC2)n1)Cc1ccccc1 ZINC000892440995 1034310873 /nfs/dbraw/zinc/31/08/73/1034310873.db2.gz YDKYJFXZHDWKON-DEOSSOPVSA-N 1 2 341.480 3.592 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCCc2cc(CC)no2)cs1 ZINC000450443472 1034337650 /nfs/dbraw/zinc/33/76/50/1034337650.db2.gz WDPSQCFMIPZTBU-CYBMUJFWSA-N 1 2 337.489 3.856 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCCc2cc(CC)no2)cs1 ZINC000450443472 1034337664 /nfs/dbraw/zinc/33/76/64/1034337664.db2.gz WDPSQCFMIPZTBU-CYBMUJFWSA-N 1 2 337.489 3.856 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000121005858 1034346014 /nfs/dbraw/zinc/34/60/14/1034346014.db2.gz BRASQMAUVSHYFY-HNNXBMFYSA-N 1 2 345.512 3.884 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000121005858 1034346025 /nfs/dbraw/zinc/34/60/25/1034346025.db2.gz BRASQMAUVSHYFY-HNNXBMFYSA-N 1 2 345.512 3.884 20 0 EHADLO Cc1ccc(OCc2cccc(C(=O)Nc3cc(C)[nH+]cc3C)c2)cn1 ZINC000534299466 1034359519 /nfs/dbraw/zinc/35/95/19/1034359519.db2.gz BRYAZVUDHCWCLR-UHFFFAOYSA-N 1 2 347.418 3.655 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000604386839 1034359581 /nfs/dbraw/zinc/35/95/81/1034359581.db2.gz SYTSMSHLXFHTOT-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000604386839 1034359591 /nfs/dbraw/zinc/35/95/91/1034359591.db2.gz SYTSMSHLXFHTOT-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCC(Cn4cncn4)CC3)c2cc1Cl ZINC000450456641 1034364794 /nfs/dbraw/zinc/36/47/94/1034364794.db2.gz YCBAEHWQWYMLRX-UHFFFAOYSA-N 1 2 345.809 3.535 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000302811550 1034366931 /nfs/dbraw/zinc/36/69/31/1034366931.db2.gz WTQZJBBEURLAGE-CQSZACIVSA-N 1 2 338.879 3.572 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000302811550 1034366942 /nfs/dbraw/zinc/36/69/42/1034366942.db2.gz WTQZJBBEURLAGE-CQSZACIVSA-N 1 2 338.879 3.572 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CCCN(c2ccccc2)C1 ZINC000450464991 1034378964 /nfs/dbraw/zinc/37/89/64/1034378964.db2.gz CRPFVHAITIJBIM-INIZCTEOSA-N 1 2 328.485 3.516 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CCCN(c2ccccc2)C1 ZINC000450464991 1034378975 /nfs/dbraw/zinc/37/89/75/1034378975.db2.gz CRPFVHAITIJBIM-INIZCTEOSA-N 1 2 328.485 3.516 20 0 EHADLO O[C@H]1CC[C@@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450477125 1034396094 /nfs/dbraw/zinc/39/60/94/1034396094.db2.gz UZYNEOGEOUKCFS-ZJUUUORDSA-N 1 2 339.208 3.709 20 0 EHADLO CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C)[nH+]cc2C)C12CCCCC2 ZINC000534324134 1034396439 /nfs/dbraw/zinc/39/64/39/1034396439.db2.gz RHXZKHQXPUCXDN-ZWKOTPCHSA-N 1 2 345.487 3.712 20 0 EHADLO Cc1cc(NC(=O)NCc2ccccc2OC2CCCC2)c(C)c[nH+]1 ZINC000534323807 1034397334 /nfs/dbraw/zinc/39/73/34/1034397334.db2.gz WGEXGTQIZKGWCD-UHFFFAOYSA-N 1 2 339.439 3.763 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)c(C)c[nH+]1 ZINC000534324776 1034399091 /nfs/dbraw/zinc/39/90/91/1034399091.db2.gz DUWMIACXSGAVKP-NRFANRHFSA-N 1 2 337.467 3.997 20 0 EHADLO CCOc1ccc(CN(C(=O)Nc2cc(C)[nH+]cc2C)C(C)C)cc1 ZINC000534323569 1034400090 /nfs/dbraw/zinc/40/00/90/1034400090.db2.gz BUPCFCFSDXYUPQ-UHFFFAOYSA-N 1 2 341.455 3.962 20 0 EHADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000450496162 1034400760 /nfs/dbraw/zinc/40/07/60/1034400760.db2.gz CKKKFBHOGGEXFN-VXGBXAGGSA-N 1 2 334.514 3.814 20 0 EHADLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000450496162 1034400766 /nfs/dbraw/zinc/40/07/66/1034400766.db2.gz CKKKFBHOGGEXFN-VXGBXAGGSA-N 1 2 334.514 3.814 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604584371 1034429514 /nfs/dbraw/zinc/42/95/14/1034429514.db2.gz QFIYQHASQZFDQW-DYESRHJHSA-N 1 2 349.478 3.590 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393580 1034470276 /nfs/dbraw/zinc/47/02/76/1034470276.db2.gz SOUZHSRGLFQXRR-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393580 1034470282 /nfs/dbraw/zinc/47/02/82/1034470282.db2.gz SOUZHSRGLFQXRR-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO Cc1cnn([C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)c1 ZINC000450542010 1034496692 /nfs/dbraw/zinc/49/66/92/1034496692.db2.gz ULWUXMYMFZDHTI-GFCCVEGCSA-N 1 2 330.794 3.984 20 0 EHADLO COc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc12 ZINC000121203928 1034555327 /nfs/dbraw/zinc/55/53/27/1034555327.db2.gz HRRCKBAJXYDWEB-MRXNPFEDSA-N 1 2 348.402 3.537 20 0 EHADLO CCCCn1c(SCC[C@@H]2CCOC2)nnc1[C@H](CC)[NH+](C)C ZINC000450596215 1034568391 /nfs/dbraw/zinc/56/83/91/1034568391.db2.gz SMWIEWAUPFTBIV-GJZGRUSLSA-N 1 2 340.537 3.610 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000450631039 1034587087 /nfs/dbraw/zinc/58/70/87/1034587087.db2.gz ZCAMHQXHPODZTL-OAQYLSRUSA-N 1 2 332.451 3.858 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000450631039 1034587097 /nfs/dbraw/zinc/58/70/97/1034587097.db2.gz ZCAMHQXHPODZTL-OAQYLSRUSA-N 1 2 332.451 3.858 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000605047707 1034613536 /nfs/dbraw/zinc/61/35/36/1034613536.db2.gz XQYZWFJJSIMIHW-GOSISDBHSA-N 1 2 344.503 3.792 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000534519759 1034623776 /nfs/dbraw/zinc/62/37/76/1034623776.db2.gz SXWICLCXAHGIPG-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000450648537 1034639273 /nfs/dbraw/zinc/63/92/73/1034639273.db2.gz VZKKHDPVZVEWCM-ZDUSSCGKSA-N 1 2 341.484 3.848 20 0 EHADLO Cc1ccccc1-c1cnc(CN2CC[NH+](Cc3ccco3)CC2)o1 ZINC000534528354 1034646874 /nfs/dbraw/zinc/64/68/74/1034646874.db2.gz WKVLBKYPIXAXSU-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]Cc1nc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000450680024 1034677319 /nfs/dbraw/zinc/67/73/19/1034677319.db2.gz LENCTGOXRMPMDO-ZBEGNZNMSA-N 1 2 336.819 3.992 20 0 EHADLO C[C@H](C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000450711379 1034724211 /nfs/dbraw/zinc/72/42/11/1034724211.db2.gz RLPPSFKTIQHQSD-LLVKDONJSA-N 1 2 348.295 3.516 20 0 EHADLO C[C@H](C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000450711379 1034724219 /nfs/dbraw/zinc/72/42/19/1034724219.db2.gz RLPPSFKTIQHQSD-LLVKDONJSA-N 1 2 348.295 3.516 20 0 EHADLO CCCCN(CC(F)(F)F)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000605503868 1034756234 /nfs/dbraw/zinc/75/62/34/1034756234.db2.gz MOSAPALCNAMRNY-AWEZNQCLSA-N 1 2 342.405 3.624 20 0 EHADLO CCCCN(CC(F)(F)F)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000605503868 1034756244 /nfs/dbraw/zinc/75/62/44/1034756244.db2.gz MOSAPALCNAMRNY-AWEZNQCLSA-N 1 2 342.405 3.624 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](OC)C(C)(C)C1 ZINC000450766099 1034760241 /nfs/dbraw/zinc/76/02/41/1034760241.db2.gz SHKFVFWGJANXIR-KRWDZBQOSA-N 1 2 342.439 3.663 20 0 EHADLO CCc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccccc1C ZINC000456835614 1034779613 /nfs/dbraw/zinc/77/96/13/1034779613.db2.gz IUDZNUFVJHFTDT-UHFFFAOYSA-N 1 2 348.450 3.685 20 0 EHADLO CCOc1c(Cl)cc(C(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000456836714 1034782244 /nfs/dbraw/zinc/78/22/44/1034782244.db2.gz AYBILHQISHRLLW-UHFFFAOYSA-N 1 2 348.830 3.689 20 0 EHADLO CCOc1ccc(OCCCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456841585 1034789062 /nfs/dbraw/zinc/78/90/62/1034789062.db2.gz FNGDQUWAWCYBMJ-UHFFFAOYSA-N 1 2 342.439 3.573 20 0 EHADLO COc1ccc(SCCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456863143 1034796695 /nfs/dbraw/zinc/79/66/95/1034796695.db2.gz QPVYEHLKGLMLLB-UHFFFAOYSA-N 1 2 330.453 3.506 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000612349294 1034824179 /nfs/dbraw/zinc/82/41/79/1034824179.db2.gz CLLGVCQCDXMHTB-KCUHQSDYSA-N 1 2 337.467 3.713 20 0 EHADLO C[C@@H](c1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813889 1034824245 /nfs/dbraw/zinc/82/42/45/1034824245.db2.gz XFEWIWRAPCFREK-YTEVENLXSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@@H](c1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813889 1034824257 /nfs/dbraw/zinc/82/42/57/1034824257.db2.gz XFEWIWRAPCFREK-YTEVENLXSA-N 1 2 333.419 3.695 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000601930376 1034829667 /nfs/dbraw/zinc/82/96/67/1034829667.db2.gz HUGNZVPSLXCXHR-STQMWFEESA-N 1 2 328.412 3.752 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601946918 1034830301 /nfs/dbraw/zinc/83/03/01/1034830301.db2.gz DLCHRKCOUVOUPJ-NWDGAFQWSA-N 1 2 334.441 3.985 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@H]3CCCCS3)c12 ZINC000390839059 1034858808 /nfs/dbraw/zinc/85/88/08/1034858808.db2.gz CAIRHFRLHLQGPV-CQSZACIVSA-N 1 2 325.441 3.513 20 0 EHADLO C[C@H](c1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1)C(F)(F)F ZINC000450849864 1034864757 /nfs/dbraw/zinc/86/47/57/1034864757.db2.gz ZSOYIMXUOLCFEQ-JHJVBQTASA-N 1 2 333.419 3.694 20 0 EHADLO OCC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccccc1 ZINC000303413085 1034962401 /nfs/dbraw/zinc/96/24/01/1034962401.db2.gz YUMMDPHRXKDCKW-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccccc1 ZINC000303413085 1034962408 /nfs/dbraw/zinc/96/24/08/1034962408.db2.gz YUMMDPHRXKDCKW-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@H](c2ccccc2)O1 ZINC000065942042 1034981122 /nfs/dbraw/zinc/98/11/22/1034981122.db2.gz HIVPPYWDOPKJEL-LAUBAEHRSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H](c2ccccc2)O1 ZINC000065942042 1034981128 /nfs/dbraw/zinc/98/11/28/1034981128.db2.gz HIVPPYWDOPKJEL-LAUBAEHRSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769288 1034983081 /nfs/dbraw/zinc/98/30/81/1034983081.db2.gz MZUXAUZFXFZTTR-AAEUAGOBSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769288 1034983090 /nfs/dbraw/zinc/98/30/90/1034983090.db2.gz MZUXAUZFXFZTTR-AAEUAGOBSA-N 1 2 345.270 3.557 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)N1CCC1 ZINC000544081037 1035017158 /nfs/dbraw/zinc/01/71/58/1035017158.db2.gz BNVIFMMOVSGNBM-SFHVURJKSA-N 1 2 349.261 3.905 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000413785239 1035018742 /nfs/dbraw/zinc/01/87/42/1035018742.db2.gz QMODHQQBPDUTDW-MJGOQNOKSA-N 1 2 329.488 3.551 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000451011315 1035027635 /nfs/dbraw/zinc/02/76/35/1035027635.db2.gz CSRAYSVTBYPKNI-IBGZPJMESA-N 1 2 348.450 3.568 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000451011315 1035027642 /nfs/dbraw/zinc/02/76/42/1035027642.db2.gz CSRAYSVTBYPKNI-IBGZPJMESA-N 1 2 348.450 3.568 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(Br)c(F)cc1C ZINC001625883697 1035086969 /nfs/dbraw/zinc/08/69/69/1035086969.db2.gz DBIPFUZRYCSYHD-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000092040092 1035097661 /nfs/dbraw/zinc/09/76/61/1035097661.db2.gz DSTQZNIQTDCLKR-WMZOPIPTSA-N 1 2 349.858 3.874 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000092040092 1035097667 /nfs/dbraw/zinc/09/76/67/1035097667.db2.gz DSTQZNIQTDCLKR-WMZOPIPTSA-N 1 2 349.858 3.874 20 0 EHADLO CC(C)CC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511371100 1035189161 /nfs/dbraw/zinc/18/91/61/1035189161.db2.gz LLZHOTNWWISACR-QZTJIDSGSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1nc([C@@H]([NH2+][C@@H](C)CC2CCOCC2)c2ccc(Cl)cc2)no1 ZINC000133071334 1035198323 /nfs/dbraw/zinc/19/83/23/1035198323.db2.gz YYQJMGCOORZOGC-SJCJKPOMSA-N 1 2 349.862 3.916 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061736 1035203362 /nfs/dbraw/zinc/20/33/62/1035203362.db2.gz KYIWKIPTKXYMQE-HOTGVXAUSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061736 1035203364 /nfs/dbraw/zinc/20/33/64/1035203364.db2.gz KYIWKIPTKXYMQE-HOTGVXAUSA-N 1 2 336.407 3.510 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1F ZINC000636122604 1035211910 /nfs/dbraw/zinc/21/19/10/1035211910.db2.gz SMUJERXPCBJJTH-UONOGXRCSA-N 1 2 343.324 3.783 20 0 EHADLO CCc1ccc2occ(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000376092766 1035248189 /nfs/dbraw/zinc/24/81/89/1035248189.db2.gz MUJMPLLLYUFICG-HNNXBMFYSA-N 1 2 337.423 3.749 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(-c3cncnc3)cn2)n1-c1ccccc1 ZINC000376137029 1035320456 /nfs/dbraw/zinc/32/04/56/1035320456.db2.gz VICSDDLMWSTZPB-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO COc1ccc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1F ZINC000923781689 1035363929 /nfs/dbraw/zinc/36/39/29/1035363929.db2.gz CAESSYVYVTWQLA-HNNXBMFYSA-N 1 2 344.390 3.640 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000685838827 1035374873 /nfs/dbraw/zinc/37/48/73/1035374873.db2.gz KKTGXXSTKPQKGP-MRXNPFEDSA-N 1 2 339.361 3.790 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000685838827 1035374877 /nfs/dbraw/zinc/37/48/77/1035374877.db2.gz KKTGXXSTKPQKGP-MRXNPFEDSA-N 1 2 339.361 3.790 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000414070234 1035435721 /nfs/dbraw/zinc/43/57/21/1035435721.db2.gz JQXGMLQEHFKLBY-NOZJJQNGSA-N 1 2 336.844 3.921 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000414070237 1035436180 /nfs/dbraw/zinc/43/61/80/1035436180.db2.gz JQXGMLQEHFKLBY-ZANVPECISA-N 1 2 336.844 3.921 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511443051 1035436912 /nfs/dbraw/zinc/43/69/12/1035436912.db2.gz ZGULEBMLZAWESB-GVDBMIGSSA-N 1 2 344.503 3.564 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc2n(n1)CCC2 ZINC000414072014 1035442711 /nfs/dbraw/zinc/44/27/11/1035442711.db2.gz MIKUNPGTQFROID-GFCCVEGCSA-N 1 2 339.361 3.621 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc2n(n1)CCC2 ZINC000414083956 1035463143 /nfs/dbraw/zinc/46/31/43/1035463143.db2.gz WRZYCZQLNRZZMK-FASAQXTFSA-N 1 2 329.419 3.539 20 0 EHADLO Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nc12 ZINC000613261784 1035476965 /nfs/dbraw/zinc/47/69/65/1035476965.db2.gz PXXIUPSOXBGFHN-CHWSQXEVSA-N 1 2 340.814 3.672 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(F)ccc1NC1CC1)n1cc[nH+]c1 ZINC000636306026 1035488066 /nfs/dbraw/zinc/48/80/66/1035488066.db2.gz CNVCZDGNIKGNBJ-KRWDZBQOSA-N 1 2 330.407 3.822 20 0 EHADLO COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000571447594 1035498173 /nfs/dbraw/zinc/49/81/73/1035498173.db2.gz FPBNGNHDXSEHMO-JKSUJKDBSA-N 1 2 336.439 3.939 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cncc1Cl ZINC000431802722 1035602911 /nfs/dbraw/zinc/60/29/11/1035602911.db2.gz UOLDZAVDEJWXPG-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)s1 ZINC000511488438 1035627408 /nfs/dbraw/zinc/62/74/08/1035627408.db2.gz NUPNMRVMXYOPQB-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000457003064 1035632388 /nfs/dbraw/zinc/63/23/88/1035632388.db2.gz BOLQEYBMYBTPCI-QGZVFWFLSA-N 1 2 325.456 3.830 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186683730 1035685674 /nfs/dbraw/zinc/68/56/74/1035685674.db2.gz MDFRELORZSEFSN-IFXJQAMLSA-N 1 2 344.480 3.872 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186683730 1035685681 /nfs/dbraw/zinc/68/56/81/1035685681.db2.gz MDFRELORZSEFSN-IFXJQAMLSA-N 1 2 344.480 3.872 20 0 EHADLO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000540821571 1035708481 /nfs/dbraw/zinc/70/84/81/1035708481.db2.gz MHQOMZNUOQGVBW-UHFFFAOYSA-N 1 2 348.899 3.792 20 0 EHADLO COc1ccc(NC(=O)COc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000540845498 1035728444 /nfs/dbraw/zinc/72/84/44/1035728444.db2.gz KWGLSLKQAYHPAA-UHFFFAOYSA-N 1 2 336.391 3.878 20 0 EHADLO O=C1CCCCN1CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000571913749 1035784384 /nfs/dbraw/zinc/78/43/84/1035784384.db2.gz WBMZQQLFGWHHFK-UHFFFAOYSA-N 1 2 341.430 3.603 20 0 EHADLO CC(C)[C@@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC12CCCC2 ZINC000457159567 1035797295 /nfs/dbraw/zinc/79/72/95/1035797295.db2.gz GUSLOENFVIRISA-IBGZPJMESA-N 1 2 337.467 3.972 20 0 EHADLO Cc1cc(C)cc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000613423760 1035836871 /nfs/dbraw/zinc/83/68/71/1035836871.db2.gz LIHONZYWPKPZAX-UHFFFAOYSA-N 1 2 339.483 3.761 20 0 EHADLO CCOC(=O)c1sc(NCc2c[nH+]c3ccc(C)cn23)cc1C ZINC000571968170 1035854388 /nfs/dbraw/zinc/85/43/88/1035854388.db2.gz XMLOBQGHRLCFKI-UHFFFAOYSA-N 1 2 329.425 3.801 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccsc2)c1 ZINC000613432845 1035865241 /nfs/dbraw/zinc/86/52/41/1035865241.db2.gz KDYQVYLXAVBXGU-UHFFFAOYSA-N 1 2 346.496 3.675 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccsc2)c1 ZINC000613432845 1035865264 /nfs/dbraw/zinc/86/52/64/1035865264.db2.gz KDYQVYLXAVBXGU-UHFFFAOYSA-N 1 2 346.496 3.675 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)on1 ZINC000613457314 1035916623 /nfs/dbraw/zinc/91/66/23/1035916623.db2.gz YAKJOQZXFSUJMI-AEFFLSMTSA-N 1 2 341.455 3.614 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)on1 ZINC000613457314 1035916640 /nfs/dbraw/zinc/91/66/40/1035916640.db2.gz YAKJOQZXFSUJMI-AEFFLSMTSA-N 1 2 341.455 3.614 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC(C)(C)C2CC2)C[C@H](C)O1 ZINC000535039612 1035920828 /nfs/dbraw/zinc/92/08/28/1035920828.db2.gz DNPRHZCOUGDLDZ-GJZGRUSLSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000541054237 1035930214 /nfs/dbraw/zinc/93/02/14/1035930214.db2.gz KZSCKQZMGBLUHF-MRXNPFEDSA-N 1 2 343.814 3.522 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccnc1 ZINC000174405854 1035934396 /nfs/dbraw/zinc/93/43/96/1035934396.db2.gz NVIBWVRWMTTZMU-LBPRGKRZSA-N 1 2 326.787 3.663 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000174330041 1035951351 /nfs/dbraw/zinc/95/13/51/1035951351.db2.gz VFNWDRAHCNEDEM-ZDUSSCGKSA-N 1 2 341.361 3.684 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000613464178 1035966185 /nfs/dbraw/zinc/96/61/85/1035966185.db2.gz DTBLUWGBNIPNRQ-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000613464178 1035966195 /nfs/dbraw/zinc/96/61/95/1035966195.db2.gz DTBLUWGBNIPNRQ-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO COc1ccc(-c2cc(C[N@H+](C)Cc3cnc(C)s3)on2)cc1 ZINC000613470464 1035976025 /nfs/dbraw/zinc/97/60/25/1035976025.db2.gz NQTMTJGAKKZMMS-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+](C)Cc3cnc(C)s3)on2)cc1 ZINC000613470464 1035976033 /nfs/dbraw/zinc/97/60/33/1035976033.db2.gz NQTMTJGAKKZMMS-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000174539887 1035994169 /nfs/dbraw/zinc/99/41/69/1035994169.db2.gz LIDHEPHAKDYWFP-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000174539887 1035994176 /nfs/dbraw/zinc/99/41/76/1035994176.db2.gz LIDHEPHAKDYWFP-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1F ZINC000613482759 1036031756 /nfs/dbraw/zinc/03/17/56/1036031756.db2.gz HVTQYJRFKNDDPI-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1F ZINC000613482759 1036031779 /nfs/dbraw/zinc/03/17/79/1036031779.db2.gz HVTQYJRFKNDDPI-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163172 1036051557 /nfs/dbraw/zinc/05/15/57/1036051557.db2.gz KMSNFANPPSNQCL-KCTSRDHCSA-N 1 2 342.405 3.792 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163172 1036051579 /nfs/dbraw/zinc/05/15/79/1036051579.db2.gz KMSNFANPPSNQCL-KCTSRDHCSA-N 1 2 342.405 3.792 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332753195 1036071553 /nfs/dbraw/zinc/07/15/53/1036071553.db2.gz HRTWZSHMOOTVOL-MWDXBVQZSA-N 1 2 330.476 3.658 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000163370039 1036072896 /nfs/dbraw/zinc/07/28/96/1036072896.db2.gz WDYOSPMNOUXIOR-SJORKVTESA-N 1 2 337.448 3.662 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSc1ccc(F)cc1)[C@H]2C ZINC000189542236 1036083388 /nfs/dbraw/zinc/08/33/88/1036083388.db2.gz BQCCUMRBOPUFKW-ZDUSSCGKSA-N 1 2 334.464 3.710 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSc1ccc(F)cc1)[C@H]2C ZINC000189542236 1036083408 /nfs/dbraw/zinc/08/34/08/1036083408.db2.gz BQCCUMRBOPUFKW-ZDUSSCGKSA-N 1 2 334.464 3.710 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000174756776 1036094249 /nfs/dbraw/zinc/09/42/49/1036094249.db2.gz LVTKAXLIZRSDQS-UHFFFAOYSA-N 1 2 341.798 3.828 20 0 EHADLO CC[C@@H](C)[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000158179238 1036134613 /nfs/dbraw/zinc/13/46/13/1036134613.db2.gz ASOQTYBURAWKIG-LLVKDONJSA-N 1 2 338.249 3.653 20 0 EHADLO CC[C@@H](C)[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000158179238 1036134621 /nfs/dbraw/zinc/13/46/21/1036134621.db2.gz ASOQTYBURAWKIG-LLVKDONJSA-N 1 2 338.249 3.653 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000492676678 1036164243 /nfs/dbraw/zinc/16/42/43/1036164243.db2.gz RVQQUQAJAHASNC-SMDDNHRTSA-N 1 2 335.341 3.621 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CCCC(F)(F)F ZINC000492676677 1036164759 /nfs/dbraw/zinc/16/47/59/1036164759.db2.gz RVQQUQAJAHASNC-RISCZKNCSA-N 1 2 335.341 3.621 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 ZINC000414230619 1036177672 /nfs/dbraw/zinc/17/76/72/1036177672.db2.gz BBDZPWSBWTWUSG-LBPRGKRZSA-N 1 2 327.737 3.926 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC(C)(C)C1 ZINC000541335380 1036194391 /nfs/dbraw/zinc/19/43/91/1036194391.db2.gz AKMKJJJSQBETSF-CQSZACIVSA-N 1 2 344.434 3.589 20 0 EHADLO CO[C@@H](C[N@H+](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000549041516 1036204290 /nfs/dbraw/zinc/20/42/90/1036204290.db2.gz MMVLPGOHLDNQHJ-IBGZPJMESA-N 1 2 326.440 3.561 20 0 EHADLO CO[C@@H](C[N@@H+](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000549041516 1036204313 /nfs/dbraw/zinc/20/43/13/1036204313.db2.gz MMVLPGOHLDNQHJ-IBGZPJMESA-N 1 2 326.440 3.561 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000170785667 1036232695 /nfs/dbraw/zinc/23/26/95/1036232695.db2.gz CQKZULFECXFWJH-SFHVURJKSA-N 1 2 348.450 3.828 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000170785667 1036232711 /nfs/dbraw/zinc/23/27/11/1036232711.db2.gz CQKZULFECXFWJH-SFHVURJKSA-N 1 2 348.450 3.828 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627330 1036267728 /nfs/dbraw/zinc/26/77/28/1036267728.db2.gz IYJKAIWBKJFNDE-RCBQFDQVSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627330 1036267750 /nfs/dbraw/zinc/26/77/50/1036267750.db2.gz IYJKAIWBKJFNDE-RCBQFDQVSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000457547538 1036271982 /nfs/dbraw/zinc/27/19/82/1036271982.db2.gz ICZZUQLGVOXWTC-ZDUSSCGKSA-N 1 2 343.393 3.667 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1Cl ZINC000535280344 1036274355 /nfs/dbraw/zinc/27/43/55/1036274355.db2.gz JGYRHWXMAWJBIN-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1Cl ZINC000535280344 1036274373 /nfs/dbraw/zinc/27/43/73/1036274373.db2.gz JGYRHWXMAWJBIN-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO C[NH+](C)[C@H](CNCc1ccc(Br)o1)c1ccc(F)cc1 ZINC000190798715 1036293694 /nfs/dbraw/zinc/29/36/94/1036293694.db2.gz PLGNSGGDVJHLIN-CQSZACIVSA-N 1 2 341.224 3.574 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c(C)c1 ZINC000414258995 1036326014 /nfs/dbraw/zinc/32/60/14/1036326014.db2.gz YABIPACIXHYACZ-NSHDSACASA-N 1 2 325.334 3.663 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NCc3cnc(C)nc3)ccc21 ZINC001168388045 1036326536 /nfs/dbraw/zinc/32/65/36/1036326536.db2.gz FBAPOSRKBWNJIE-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO COc1ccc(C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000535335225 1036348932 /nfs/dbraw/zinc/34/89/32/1036348932.db2.gz NPWNDOKXZWYTCF-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO COc1ccc(C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000535335225 1036348945 /nfs/dbraw/zinc/34/89/45/1036348945.db2.gz NPWNDOKXZWYTCF-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1(C)C ZINC000457656650 1036363969 /nfs/dbraw/zinc/36/39/69/1036363969.db2.gz DHJQHHBGQPGRMJ-SFHVURJKSA-N 1 2 340.471 3.507 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127122992 1036377496 /nfs/dbraw/zinc/37/74/96/1036377496.db2.gz NVUQWQJWTKTAJN-UHFFFAOYSA-N 1 2 329.787 3.947 20 0 EHADLO C[C@H]1CCCC[C@@]1(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457679947 1036385081 /nfs/dbraw/zinc/38/50/81/1036385081.db2.gz PCZTXJFTHIVKAJ-OXJNMPFZSA-N 1 2 340.471 3.699 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000191452332 1036386404 /nfs/dbraw/zinc/38/64/04/1036386404.db2.gz GLITYYUTXOEDHA-INIZCTEOSA-N 1 2 346.452 3.536 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000191452332 1036386417 /nfs/dbraw/zinc/38/64/17/1036386417.db2.gz GLITYYUTXOEDHA-INIZCTEOSA-N 1 2 346.452 3.536 20 0 EHADLO COC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000191552425 1036412944 /nfs/dbraw/zinc/41/29/44/1036412944.db2.gz OSNIUTDDWFJKHA-GOSISDBHSA-N 1 2 343.377 3.628 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cc(F)ccc3C)CC2)c1 ZINC000491239915 1036452910 /nfs/dbraw/zinc/45/29/10/1036452910.db2.gz QZDLWUIZWDLPEM-UHFFFAOYSA-N 1 2 341.430 3.792 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(C)c[nH+]1 ZINC000572677934 1036455258 /nfs/dbraw/zinc/45/52/58/1036455258.db2.gz WJQKUTNEPXIPAL-WBVHZDCISA-N 1 2 327.403 3.717 20 0 EHADLO CCCCCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174740346 1036494458 /nfs/dbraw/zinc/49/44/58/1036494458.db2.gz QQIDVPXNEUJSDQ-UHFFFAOYSA-N 1 2 346.519 3.601 20 0 EHADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000464502776 1036515114 /nfs/dbraw/zinc/51/51/14/1036515114.db2.gz RYHVBUYOMZJZNF-JQPIKURYSA-N 1 2 345.516 3.948 20 0 EHADLO CC(C)(C)n1nnnc1C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000464502776 1036515122 /nfs/dbraw/zinc/51/51/22/1036515122.db2.gz RYHVBUYOMZJZNF-JQPIKURYSA-N 1 2 345.516 3.948 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]CCOC(c2ccccc2)c2ccccc2)o1 ZINC000541683063 1036567867 /nfs/dbraw/zinc/56/78/67/1036567867.db2.gz FIPGAZXELAXOIA-OAHLLOKOSA-N 1 2 337.423 3.835 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000589641756 1036574270 /nfs/dbraw/zinc/57/42/70/1036574270.db2.gz MJOPHNJMUZYKHF-CYBMUJFWSA-N 1 2 349.438 3.698 20 0 EHADLO FC(F)(F)c1ccc(OCC[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000589645629 1036576754 /nfs/dbraw/zinc/57/67/54/1036576754.db2.gz DFVWCYIVERJDRP-UHFFFAOYSA-N 1 2 335.329 3.750 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175821379 1036586843 /nfs/dbraw/zinc/58/68/43/1036586843.db2.gz DOBWWHKAOIKIRE-GHTZIAJQSA-N 1 2 329.403 3.919 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000493076768 1036644975 /nfs/dbraw/zinc/64/49/75/1036644975.db2.gz YGHKXDWPGHFFJJ-XFHJGTJQSA-N 1 2 331.366 3.511 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000464676168 1036652412 /nfs/dbraw/zinc/65/24/12/1036652412.db2.gz FVCNBCHJARXFQC-XLIONFOSSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000464676168 1036652419 /nfs/dbraw/zinc/65/24/19/1036652419.db2.gz FVCNBCHJARXFQC-XLIONFOSSA-N 1 2 343.492 3.852 20 0 EHADLO Clc1ccc(CNc2cccc[nH+]2)c(I)c1 ZINC000309529683 1036665228 /nfs/dbraw/zinc/66/52/28/1036665228.db2.gz CUBHRRDQHHXSEJ-UHFFFAOYSA-N 1 2 344.583 3.952 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000057103048 1036701927 /nfs/dbraw/zinc/70/19/27/1036701927.db2.gz MAFWOHJOYSTOKB-GOSISDBHSA-N 1 2 329.403 3.990 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000057103048 1036701940 /nfs/dbraw/zinc/70/19/40/1036701940.db2.gz MAFWOHJOYSTOKB-GOSISDBHSA-N 1 2 329.403 3.990 20 0 EHADLO O=C(c1cc2c(s1)CCCCCC2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589988480 1036705629 /nfs/dbraw/zinc/70/56/29/1036705629.db2.gz OOYDLRRYQSPYJC-UHFFFAOYSA-N 1 2 342.464 3.706 20 0 EHADLO CC[N@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102680135 1036770266 /nfs/dbraw/zinc/77/02/66/1036770266.db2.gz OZIGIRHOTGWQFN-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO CC[N@@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102680135 1036770274 /nfs/dbraw/zinc/77/02/74/1036770274.db2.gz OZIGIRHOTGWQFN-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1nnsc1Cl ZINC000539493836 1036800969 /nfs/dbraw/zinc/80/09/69/1036800969.db2.gz RUYFRWRGWIDYJP-CYBMUJFWSA-N 1 2 343.855 3.914 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(Br)c1 ZINC000464812260 1036819788 /nfs/dbraw/zinc/81/97/88/1036819788.db2.gz FBERPMXHIGLJAJ-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)c(Br)c1 ZINC000464812260 1036819808 /nfs/dbraw/zinc/81/98/08/1036819808.db2.gz FBERPMXHIGLJAJ-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000590348133 1036847375 /nfs/dbraw/zinc/84/73/75/1036847375.db2.gz GRPKGCVOPVXHPC-MRXNPFEDSA-N 1 2 340.471 3.549 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)sc1C ZINC000541950618 1036883637 /nfs/dbraw/zinc/88/36/37/1036883637.db2.gz LXYNZCORMRYEIQ-ZDUSSCGKSA-N 1 2 330.375 3.602 20 0 EHADLO CCCCOC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000464850323 1036898595 /nfs/dbraw/zinc/89/85/95/1036898595.db2.gz JRMYOMGGACECEC-UHFFFAOYSA-N 1 2 338.879 3.868 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccsc1 ZINC000669831087 1036919436 /nfs/dbraw/zinc/91/94/36/1036919436.db2.gz ORYANJVDNPDWME-JTQLQIEISA-N 1 2 336.823 3.972 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177753113 1036926521 /nfs/dbraw/zinc/92/65/21/1036926521.db2.gz MVTVRCIWDWFYJK-ZDUSSCGKSA-N 1 2 342.830 3.890 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177772462 1036929994 /nfs/dbraw/zinc/92/99/94/1036929994.db2.gz FGVINCVPNKIGHT-IBGZPJMESA-N 1 2 348.450 3.998 20 0 EHADLO CC[C@]1(C)CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000467576250 1036934441 /nfs/dbraw/zinc/93/44/41/1036934441.db2.gz DFZZMAJJQCMPRD-OXQOHEQNSA-N 1 2 345.487 3.734 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000103592825 1036947654 /nfs/dbraw/zinc/94/76/54/1036947654.db2.gz PDAZWDMBZNCCFP-HNNXBMFYSA-N 1 2 346.500 3.834 20 0 EHADLO COc1cccc([C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000177901920 1036964020 /nfs/dbraw/zinc/96/40/20/1036964020.db2.gz LRQHDYIAUUEWGH-WOJBJXKFSA-N 1 2 327.399 3.895 20 0 EHADLO COc1cccc([C@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000177901920 1036964032 /nfs/dbraw/zinc/96/40/32/1036964032.db2.gz LRQHDYIAUUEWGH-WOJBJXKFSA-N 1 2 327.399 3.895 20 0 EHADLO C[C@@H](Sc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000104131502 1036980743 /nfs/dbraw/zinc/98/07/43/1036980743.db2.gz RRLCNFBPCQDWCP-OAHLLOKOSA-N 1 2 329.469 3.571 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000590603536 1036981627 /nfs/dbraw/zinc/98/16/27/1036981627.db2.gz OXDIIZUSCUMJND-UHFFFAOYSA-N 1 2 349.434 3.774 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725672 1037006604 /nfs/dbraw/zinc/00/66/04/1037006604.db2.gz RKPHZKPNVWSMFT-AEFFLSMTSA-N 1 2 343.496 3.864 20 0 EHADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000590712730 1037018613 /nfs/dbraw/zinc/01/86/13/1037018613.db2.gz JXGUINIIJBCPQJ-OAHLLOKOSA-N 1 2 347.484 3.692 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000178514253 1037056501 /nfs/dbraw/zinc/05/65/01/1037056501.db2.gz LJYPFRSUZSIVLP-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000178514253 1037056519 /nfs/dbraw/zinc/05/65/19/1037056519.db2.gz LJYPFRSUZSIVLP-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO Cc1occc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000590797840 1037064053 /nfs/dbraw/zinc/06/40/53/1037064053.db2.gz HDDVCXJYWGREIL-UHFFFAOYSA-N 1 2 328.393 3.730 20 0 EHADLO CC[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000666451581 1037065197 /nfs/dbraw/zinc/06/51/97/1037065197.db2.gz LORIVRGPIMIERC-QGZVFWFLSA-N 1 2 336.439 3.912 20 0 EHADLO CCc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)oc1CC ZINC000178623717 1037069086 /nfs/dbraw/zinc/06/90/86/1037069086.db2.gz KYLPGRGNTCWIKB-UHFFFAOYSA-N 1 2 330.428 3.697 20 0 EHADLO CSCC1CCC(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000590809849 1037069984 /nfs/dbraw/zinc/06/99/84/1037069984.db2.gz UGZYIEDFNYNXAF-UHFFFAOYSA-N 1 2 332.473 3.686 20 0 EHADLO CCCc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393346017 1037077048 /nfs/dbraw/zinc/07/70/48/1037077048.db2.gz CAGUCJUYNIOTDV-LBPRGKRZSA-N 1 2 336.277 3.986 20 0 EHADLO C[N@@H+]1CCN(Cc2cc(Cl)c(O)c(Cl)c2)C2(CCCC2)C1 ZINC001140836050 1037086911 /nfs/dbraw/zinc/08/69/11/1037086911.db2.gz JZTOHWVNKQDXKS-UHFFFAOYSA-N 1 2 329.271 3.759 20 0 EHADLO C[N@H+]1CCN(Cc2cc(Cl)c(O)c(Cl)c2)C2(CCCC2)C1 ZINC001140836050 1037086925 /nfs/dbraw/zinc/08/69/25/1037086925.db2.gz JZTOHWVNKQDXKS-UHFFFAOYSA-N 1 2 329.271 3.759 20 0 EHADLO Cc1cccc(C2(NC(=O)NCCCCn3cc[nH+]c3)CCCC2)c1 ZINC000590864293 1037106147 /nfs/dbraw/zinc/10/61/47/1037106147.db2.gz XCXCYORQCNOUKU-UHFFFAOYSA-N 1 2 340.471 3.740 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)(C)c1ccccc1 ZINC000590871220 1037109415 /nfs/dbraw/zinc/10/94/15/1037109415.db2.gz XQPLHOWDWWAUFK-FUHWJXTLSA-N 1 2 340.471 3.596 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000038276102 1037111463 /nfs/dbraw/zinc/11/14/63/1037111463.db2.gz OKVTUPQWBFRATJ-UHFFFAOYSA-N 1 2 327.428 3.758 20 0 EHADLO Cc1nc(C(C)C)sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000351017727 1037122080 /nfs/dbraw/zinc/12/20/80/1037122080.db2.gz AHJRLXSCFQTEOU-CHWSQXEVSA-N 1 2 348.472 3.551 20 0 EHADLO Cc1nc(C(C)C)sc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000351017727 1037122084 /nfs/dbraw/zinc/12/20/84/1037122084.db2.gz AHJRLXSCFQTEOU-CHWSQXEVSA-N 1 2 348.472 3.551 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000590955625 1037140797 /nfs/dbraw/zinc/14/07/97/1037140797.db2.gz PKCDSNWSFVVXOZ-UHFFFAOYSA-N 1 2 342.487 3.921 20 0 EHADLO CCN(Cc1cccc(Cl)c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539749537 1037149542 /nfs/dbraw/zinc/14/95/42/1037149542.db2.gz ISCVECGIEHHUTE-UHFFFAOYSA-N 1 2 340.814 3.583 20 0 EHADLO Cc1cc(NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c(C)c[nH+]1 ZINC000666496184 1037151721 /nfs/dbraw/zinc/15/17/21/1037151721.db2.gz LCBGTRHYLSSTPZ-UHFFFAOYSA-N 1 2 349.434 3.593 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414380730 1037159918 /nfs/dbraw/zinc/15/99/18/1037159918.db2.gz JNEYHGYBCZNHJE-MRXNPFEDSA-N 1 2 349.521 3.667 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414380730 1037159922 /nfs/dbraw/zinc/15/99/22/1037159922.db2.gz JNEYHGYBCZNHJE-MRXNPFEDSA-N 1 2 349.521 3.667 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000591027697 1037209406 /nfs/dbraw/zinc/20/94/06/1037209406.db2.gz DRCVLZFSNOQUNM-GOSISDBHSA-N 1 2 349.438 3.608 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833099 1037260687 /nfs/dbraw/zinc/26/06/87/1037260687.db2.gz JBKSIUJVPUOYOK-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833099 1037260703 /nfs/dbraw/zinc/26/07/03/1037260703.db2.gz JBKSIUJVPUOYOK-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO C/C=C(/C=C/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC ZINC000493347710 1037288987 /nfs/dbraw/zinc/28/89/87/1037288987.db2.gz DLHHGVULSSCJRI-OHULPMOGSA-N 1 2 327.472 3.838 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414395573 1037318128 /nfs/dbraw/zinc/31/81/28/1037318128.db2.gz NCZZRHFHXOBPQJ-CQSZACIVSA-N 1 2 337.510 3.523 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414395573 1037318178 /nfs/dbraw/zinc/31/81/78/1037318178.db2.gz NCZZRHFHXOBPQJ-CQSZACIVSA-N 1 2 337.510 3.523 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1 ZINC000539887823 1037326392 /nfs/dbraw/zinc/32/63/92/1037326392.db2.gz ZEAKQOPHFYUICQ-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1 ZINC000539887823 1037326407 /nfs/dbraw/zinc/32/64/07/1037326407.db2.gz ZEAKQOPHFYUICQ-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO CC(C)SCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000573201384 1037353068 /nfs/dbraw/zinc/35/30/68/1037353068.db2.gz PXWVCMSBXVJBED-UHFFFAOYSA-N 1 2 329.469 3.967 20 0 EHADLO C[C@]1(F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000539924525 1037371275 /nfs/dbraw/zinc/37/12/75/1037371275.db2.gz GKXJGWXLCZJSKS-WBVHZDCISA-N 1 2 327.827 3.832 20 0 EHADLO C[C@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000539924525 1037371287 /nfs/dbraw/zinc/37/12/87/1037371287.db2.gz GKXJGWXLCZJSKS-WBVHZDCISA-N 1 2 327.827 3.832 20 0 EHADLO C(=C\c1ccccc1)\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000547003670 1037373251 /nfs/dbraw/zinc/37/32/51/1037373251.db2.gz YHAORNJRIOWBNY-KHPPLWFESA-N 1 2 347.418 3.739 20 0 EHADLO C[C@@H](c1nncn1C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000376516404 1037400801 /nfs/dbraw/zinc/40/08/01/1037400801.db2.gz ARNPXIUWDGSJQT-LBPRGKRZSA-N 1 2 333.505 3.510 20 0 EHADLO Cn1nc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc21 ZINC000648519063 1037409015 /nfs/dbraw/zinc/40/90/15/1037409015.db2.gz ULCZHBLYJRXALB-CYBMUJFWSA-N 1 2 331.341 3.768 20 0 EHADLO O=C(N[C@H]1CC12CCCCC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000539992485 1037431153 /nfs/dbraw/zinc/43/11/53/1037431153.db2.gz GQBXYMZFUOOIIL-ROUUACIJSA-N 1 2 344.524 3.616 20 0 EHADLO CC(=O)c1ccc(OCC[NH+]2CCCCC2)c(Br)c1 ZINC000061696087 1037489931 /nfs/dbraw/zinc/48/99/31/1037489931.db2.gz HBMCHEWZNYFVCA-UHFFFAOYSA-N 1 2 326.234 3.516 20 0 EHADLO O=C1[C@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000177352511 1037490582 /nfs/dbraw/zinc/49/05/82/1037490582.db2.gz UKGQREPTEYOTGS-CQSZACIVSA-N 1 2 346.780 3.720 20 0 EHADLO CCC1CCC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000505617475 1037498087 /nfs/dbraw/zinc/49/80/87/1037498087.db2.gz ZBAVXUGSPCIISJ-AQEOSJORSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1cc(NC(=O)N2CCC(c3ccc(F)cc3C)CC2)c(C)c[nH+]1 ZINC000573441179 1037498303 /nfs/dbraw/zinc/49/83/03/1037498303.db2.gz LMKFYNRHTMZWDX-UHFFFAOYSA-N 1 2 341.430 3.979 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nc1 ZINC000760842661 1037509683 /nfs/dbraw/zinc/50/96/83/1037509683.db2.gz CILNJKYIBGLRCH-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nc1 ZINC000760842661 1037509694 /nfs/dbraw/zinc/50/96/94/1037509694.db2.gz CILNJKYIBGLRCH-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000016564039 1037511170 /nfs/dbraw/zinc/51/11/70/1037511170.db2.gz UVPYOPGHJXVDPL-UHFFFAOYSA-N 1 2 326.440 3.889 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000016564039 1037511184 /nfs/dbraw/zinc/51/11/84/1037511184.db2.gz UVPYOPGHJXVDPL-UHFFFAOYSA-N 1 2 326.440 3.889 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3nnc(C4CCC4)n3C)CC2)CC1 ZINC000376538073 1037514590 /nfs/dbraw/zinc/51/45/90/1037514590.db2.gz GRDJVGQDCZMRNJ-UHFFFAOYSA-N 1 2 346.519 3.642 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462897089 1037524216 /nfs/dbraw/zinc/52/42/16/1037524216.db2.gz SATSJMQXFVRTRQ-QGZVFWFLSA-N 1 2 336.838 3.880 20 0 EHADLO FC(F)(F)COCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490172 1037593268 /nfs/dbraw/zinc/59/32/68/1037593268.db2.gz HGAHLXQZILYDRC-CQSZACIVSA-N 1 2 337.769 3.682 20 0 EHADLO FC(F)(F)COCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490172 1037593286 /nfs/dbraw/zinc/59/32/86/1037593286.db2.gz HGAHLXQZILYDRC-CQSZACIVSA-N 1 2 337.769 3.682 20 0 EHADLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000669861192 1037641618 /nfs/dbraw/zinc/64/16/18/1037641618.db2.gz BLPHUXAVVQYXKI-YOEHRIQHSA-N 1 2 346.521 3.715 20 0 EHADLO COc1ccc(-c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2)cc1 ZINC000172774858 1037648227 /nfs/dbraw/zinc/64/82/27/1037648227.db2.gz IKAAMLSGRYIWNC-UHFFFAOYSA-N 1 2 345.406 3.651 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000463024366 1037653142 /nfs/dbraw/zinc/65/31/42/1037653142.db2.gz KVLCSGFXBDTSFO-GFCCVEGCSA-N 1 2 325.861 3.792 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000463024366 1037653153 /nfs/dbraw/zinc/65/31/53/1037653153.db2.gz KVLCSGFXBDTSFO-GFCCVEGCSA-N 1 2 325.861 3.792 20 0 EHADLO Cc1nc(C2CC2)ccc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712387 1037658329 /nfs/dbraw/zinc/65/83/29/1037658329.db2.gz RQRSPNLPIOLURR-UHFFFAOYSA-N 1 2 346.434 3.561 20 0 EHADLO CC1(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCOCC1 ZINC000493860991 1037681377 /nfs/dbraw/zinc/68/13/77/1037681377.db2.gz SMFHZOYJQLXSNP-SNAWJCMRSA-N 1 2 345.830 3.837 20 0 EHADLO COc1c(C)cnc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1C ZINC000303717225 1037684785 /nfs/dbraw/zinc/68/47/85/1037684785.db2.gz QWDPIHJACQPLAV-GOSISDBHSA-N 1 2 328.481 3.997 20 0 EHADLO COc1c(C)cnc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1C ZINC000303717225 1037684794 /nfs/dbraw/zinc/68/47/94/1037684794.db2.gz QWDPIHJACQPLAV-GOSISDBHSA-N 1 2 328.481 3.997 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111736372 1037742684 /nfs/dbraw/zinc/74/26/84/1037742684.db2.gz FAJHUWGILHBOFC-OAHLLOKOSA-N 1 2 342.443 3.929 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000493992626 1037757834 /nfs/dbraw/zinc/75/78/34/1037757834.db2.gz PFLLZSJXOPEXNF-UHFFFAOYSA-N 1 2 345.874 3.897 20 0 EHADLO C[N@H+](CCC(F)(F)F)Cc1nc2ccc(Br)cc2o1 ZINC000463085782 1037761324 /nfs/dbraw/zinc/76/13/24/1037761324.db2.gz MSJRHJWJKWGMFZ-UHFFFAOYSA-N 1 2 337.139 3.975 20 0 EHADLO C[N@@H+](CCC(F)(F)F)Cc1nc2ccc(Br)cc2o1 ZINC000463085782 1037761360 /nfs/dbraw/zinc/76/13/60/1037761360.db2.gz MSJRHJWJKWGMFZ-UHFFFAOYSA-N 1 2 337.139 3.975 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000573859812 1037786694 /nfs/dbraw/zinc/78/66/94/1037786694.db2.gz CVUQQCFQRCILGS-KBPBESRZSA-N 1 2 340.870 3.725 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000651256072 1037804417 /nfs/dbraw/zinc/80/44/17/1037804417.db2.gz SGRMYIYYTOIWGM-BBRMVZONSA-N 1 2 330.407 3.589 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CCC(CC(C)C)CC2)cs1)C1CC1 ZINC000760923556 1037817120 /nfs/dbraw/zinc/81/71/20/1037817120.db2.gz BZKBXLYKRULMCD-UHFFFAOYSA-N 1 2 335.517 3.917 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096490 1037817524 /nfs/dbraw/zinc/81/75/24/1037817524.db2.gz MAUHUZBSOBOSKM-WMZOPIPTSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096490 1037817538 /nfs/dbraw/zinc/81/75/38/1037817538.db2.gz MAUHUZBSOBOSKM-WMZOPIPTSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000494068993 1037821480 /nfs/dbraw/zinc/82/14/80/1037821480.db2.gz LZCABVOGALOZQH-JTQLQIEISA-N 1 2 330.284 3.969 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000494068993 1037821491 /nfs/dbraw/zinc/82/14/91/1037821491.db2.gz LZCABVOGALOZQH-JTQLQIEISA-N 1 2 330.284 3.969 20 0 EHADLO CC(C)Oc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1Cl ZINC000187873880 1037823908 /nfs/dbraw/zinc/82/39/08/1037823908.db2.gz VCNNHHIIHKVSHG-UHFFFAOYSA-N 1 2 346.858 3.615 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1Cl ZINC000187873880 1037823931 /nfs/dbraw/zinc/82/39/31/1037823931.db2.gz VCNNHHIIHKVSHG-UHFFFAOYSA-N 1 2 346.858 3.615 20 0 EHADLO CSCC[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(=O)OC(C)(C)C ZINC001168460345 1037825275 /nfs/dbraw/zinc/82/52/75/1037825275.db2.gz SCFCCFBPAXQKPP-CJNGLKHVSA-N 1 2 341.492 3.810 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592146467 1037848413 /nfs/dbraw/zinc/84/84/13/1037848413.db2.gz QOBRTYALHBKRDN-UHFFFAOYSA-N 1 2 330.453 3.650 20 0 EHADLO COC(=O)c1sccc1C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592146467 1037848438 /nfs/dbraw/zinc/84/84/38/1037848438.db2.gz QOBRTYALHBKRDN-UHFFFAOYSA-N 1 2 330.453 3.650 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117748366 1037859873 /nfs/dbraw/zinc/85/98/73/1037859873.db2.gz NOOHKNVNZJKHKY-FQEVSTJZSA-N 1 2 347.418 3.858 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000187929057 1037875417 /nfs/dbraw/zinc/87/54/17/1037875417.db2.gz RHLSUBJPVOPSCP-CQSZACIVSA-N 1 2 337.769 3.626 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000187929057 1037875430 /nfs/dbraw/zinc/87/54/30/1037875430.db2.gz RHLSUBJPVOPSCP-CQSZACIVSA-N 1 2 337.769 3.626 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000463230718 1037909201 /nfs/dbraw/zinc/90/92/01/1037909201.db2.gz QLEGEWYIEPTPHM-GOSISDBHSA-N 1 2 334.847 3.521 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@H+]1CCCOc1cccc(Cl)c1 ZINC000463230718 1037909211 /nfs/dbraw/zinc/90/92/11/1037909211.db2.gz QLEGEWYIEPTPHM-GOSISDBHSA-N 1 2 334.847 3.521 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000888267136 1037916819 /nfs/dbraw/zinc/91/68/19/1037916819.db2.gz QPRJXXNILWMXQF-KRWDZBQOSA-N 1 2 325.412 3.550 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(SC(F)(F)F)cc1 ZINC000492040682 1037916993 /nfs/dbraw/zinc/91/69/93/1037916993.db2.gz MFMZQRRHDFUYPY-DAXSKMNVSA-N 1 2 341.358 3.660 20 0 EHADLO O=C(/C=C\SCc1ccco1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000492055724 1037920768 /nfs/dbraw/zinc/92/07/68/1037920768.db2.gz DQHDIXRNXCXDIO-POHAHGRESA-N 1 2 339.420 3.529 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000378113426 1037927486 /nfs/dbraw/zinc/92/74/86/1037927486.db2.gz PWYYEBNMGQAFTI-FQEVSTJZSA-N 1 2 345.446 3.642 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000540459509 1037959815 /nfs/dbraw/zinc/95/98/15/1037959815.db2.gz MFELDBMHGLDESN-ZDUSSCGKSA-N 1 2 330.403 3.686 20 0 EHADLO FC(F)(F)C1CCC(CNc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000183748762 1037966021 /nfs/dbraw/zinc/96/60/21/1037966021.db2.gz PXOWYOCIBSSNSD-UHFFFAOYSA-N 1 2 343.393 3.699 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000492109926 1037988980 /nfs/dbraw/zinc/98/89/80/1037988980.db2.gz IYHDVKYKBHFCHY-UWQDDJICSA-N 1 2 347.821 3.799 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184189795 1038016296 /nfs/dbraw/zinc/01/62/96/1038016296.db2.gz KXZWDCSLZPBKJM-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO Cc1ccc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000041219314 1038078086 /nfs/dbraw/zinc/07/80/86/1038078086.db2.gz KEGXDVQEWPLRAV-FXAWDEMLSA-N 1 2 348.450 3.669 20 0 EHADLO CC[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123825201 1038086198 /nfs/dbraw/zinc/08/61/98/1038086198.db2.gz BGSYDMURSONINJ-YJBOKZPZSA-N 1 2 343.446 3.534 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(c1ccccc1)c1ccccc1 ZINC000492192690 1038104872 /nfs/dbraw/zinc/10/48/72/1038104872.db2.gz IPRKEIXFNRGULU-MRXNPFEDSA-N 1 2 332.407 3.746 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000124288993 1038165742 /nfs/dbraw/zinc/16/57/42/1038165742.db2.gz XRRHLRBAZIJVOE-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO CCc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)nc(C)[nH+]1 ZINC000180450481 1038178573 /nfs/dbraw/zinc/17/85/73/1038178573.db2.gz JCKLEVQDSQHMIW-GOSISDBHSA-N 1 2 337.423 3.681 20 0 EHADLO Cc1ccc(CSCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124387588 1038179220 /nfs/dbraw/zinc/17/92/20/1038179220.db2.gz YLKIQLUMOMUOMS-FUHWJXTLSA-N 1 2 343.496 3.534 20 0 EHADLO COc1cccc(C(F)F)c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000893177848 1038253752 /nfs/dbraw/zinc/25/37/52/1038253752.db2.gz ZROIFSPSKOSZTR-OAHLLOKOSA-N 1 2 346.377 3.549 20 0 EHADLO COc1cccc(C(F)F)c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000893177848 1038253761 /nfs/dbraw/zinc/25/37/61/1038253761.db2.gz ZROIFSPSKOSZTR-OAHLLOKOSA-N 1 2 346.377 3.549 20 0 EHADLO CCS[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(C)C ZINC000107179453 1038305417 /nfs/dbraw/zinc/30/54/17/1038305417.db2.gz NTTPLRFRUDUSEP-SFHVURJKSA-N 1 2 349.544 3.856 20 0 EHADLO c1c[nH]c(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000378253829 1038320474 /nfs/dbraw/zinc/32/04/74/1038320474.db2.gz CHMBVGIJHCPYLU-HNNXBMFYSA-N 1 2 343.475 3.685 20 0 EHADLO c1c[nH]c(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000378253829 1038320488 /nfs/dbraw/zinc/32/04/88/1038320488.db2.gz CHMBVGIJHCPYLU-HNNXBMFYSA-N 1 2 343.475 3.685 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+](C)[C@@]3(CO)CCOC3)cs2)cc1 ZINC000461363437 1038364809 /nfs/dbraw/zinc/36/48/09/1038364809.db2.gz QNFWAAGOOMXPQJ-LJQANCHMSA-N 1 2 346.496 3.517 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+](C)[C@@]3(CO)CCOC3)cs2)cc1 ZINC000461363437 1038364819 /nfs/dbraw/zinc/36/48/19/1038364819.db2.gz QNFWAAGOOMXPQJ-LJQANCHMSA-N 1 2 346.496 3.517 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nn1[C@@H](C)C1CC1 ZINC000538585848 1038387509 /nfs/dbraw/zinc/38/75/09/1038387509.db2.gz TYWKRQOEMFJOLG-AWEZNQCLSA-N 1 2 335.411 3.601 20 0 EHADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000398060348 1038409467 /nfs/dbraw/zinc/40/94/67/1038409467.db2.gz MMJZIPMBRCSCBV-ZANVPECISA-N 1 2 340.197 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOc3ccccc3[C@H]2C)c(C)[nH+]1 ZINC000667117695 1038438539 /nfs/dbraw/zinc/43/85/39/1038438539.db2.gz AJLGWRBTKFAKID-OAHLLOKOSA-N 1 2 325.412 3.994 20 0 EHADLO Cc1cc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nc(C2CCC2)[nH+]1 ZINC000893209017 1038488410 /nfs/dbraw/zinc/48/84/10/1038488410.db2.gz DLBNSAMYYVHNEX-MRXNPFEDSA-N 1 2 343.393 3.582 20 0 EHADLO Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c(C)c[nH+]1 ZINC000378356568 1038512713 /nfs/dbraw/zinc/51/27/13/1038512713.db2.gz URWYADOQVKJBNB-UHFFFAOYSA-N 1 2 346.434 3.923 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](OC)C2CCCC2)cs1 ZINC000659959304 1038520078 /nfs/dbraw/zinc/52/00/78/1038520078.db2.gz HBAYQHGAGVNETJ-BBRMVZONSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](OC)C2CCCC2)cs1 ZINC000659959304 1038520085 /nfs/dbraw/zinc/52/00/85/1038520085.db2.gz HBAYQHGAGVNETJ-BBRMVZONSA-N 1 2 326.506 3.878 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000659962084 1038525350 /nfs/dbraw/zinc/52/53/50/1038525350.db2.gz RNILCMXCLGOBNP-HNNXBMFYSA-N 1 2 344.890 3.626 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000659962084 1038525353 /nfs/dbraw/zinc/52/53/53/1038525353.db2.gz RNILCMXCLGOBNP-HNNXBMFYSA-N 1 2 344.890 3.626 20 0 EHADLO Cc1cnc([C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000538911459 1038591752 /nfs/dbraw/zinc/59/17/52/1038591752.db2.gz JLNDZEVBWATAHK-ZDUSSCGKSA-N 1 2 339.361 3.885 20 0 EHADLO CC1=CC[C@@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000667173358 1038621683 /nfs/dbraw/zinc/62/16/83/1038621683.db2.gz FLHMBKOWHGDCQK-LJQANCHMSA-N 1 2 327.403 3.764 20 0 EHADLO CC(=O)c1[nH]c(CC[NH+]2CCC(=Cc3ccccc3F)CC2)nc1C ZINC000659997723 1038656446 /nfs/dbraw/zinc/65/64/46/1038656446.db2.gz LFRZRUDCLLBFFE-UHFFFAOYSA-N 1 2 341.430 3.782 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccccc2C(=O)N(C)C)c1 ZINC000416424319 1038656647 /nfs/dbraw/zinc/65/66/47/1038656647.db2.gz CACQULQCCONBQG-UHFFFAOYSA-N 1 2 329.469 3.649 20 0 EHADLO Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000613707448 1038662268 /nfs/dbraw/zinc/66/22/68/1038662268.db2.gz FQHXQTFQCAPAQB-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156201 1038717298 /nfs/dbraw/zinc/71/72/98/1038717298.db2.gz UKWSGGKUYDHIFP-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156201 1038717305 /nfs/dbraw/zinc/71/73/05/1038717305.db2.gz UKWSGGKUYDHIFP-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1noc(C2(C)CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)n1 ZINC000378575664 1038731785 /nfs/dbraw/zinc/73/17/85/1038731785.db2.gz YOUGQRYZTSAZDK-UHFFFAOYSA-N 1 2 341.242 3.634 20 0 EHADLO O=C(C[N@@H+]1CCOc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000614028217 1038778364 /nfs/dbraw/zinc/77/83/64/1038778364.db2.gz UOUMVQSNZALILS-UHFFFAOYSA-N 1 2 325.452 3.667 20 0 EHADLO O=C(C[N@H+]1CCOc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000614028217 1038778376 /nfs/dbraw/zinc/77/83/76/1038778376.db2.gz UOUMVQSNZALILS-UHFFFAOYSA-N 1 2 325.452 3.667 20 0 EHADLO COCc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338380296 1038792754 /nfs/dbraw/zinc/79/27/54/1038792754.db2.gz OUGUNHRJVZKSBM-UHFFFAOYSA-N 1 2 341.798 3.924 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000667566596 1038809586 /nfs/dbraw/zinc/80/95/86/1038809586.db2.gz BRDKQBABZNVOIK-CHWSQXEVSA-N 1 2 338.436 3.649 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1F ZINC000096965367 1038829047 /nfs/dbraw/zinc/82/90/47/1038829047.db2.gz NJOKDBQQPCLQEZ-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000378651755 1038830901 /nfs/dbraw/zinc/83/09/01/1038830901.db2.gz SMRITMIKXCABJM-LJQANCHMSA-N 1 2 331.419 3.810 20 0 EHADLO CCO[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1(CC)CC ZINC000488090695 1038841857 /nfs/dbraw/zinc/84/18/57/1038841857.db2.gz QZJXHJHQTYMHOP-MSOLQXFVSA-N 1 2 341.455 3.586 20 0 EHADLO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667575892 1038891074 /nfs/dbraw/zinc/89/10/74/1038891074.db2.gz XQYZAKXHWNMBRV-WJFTUGDTSA-N 1 2 337.467 3.708 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCc3cc(F)ccc32)c1C ZINC000667576841 1038916600 /nfs/dbraw/zinc/91/66/00/1038916600.db2.gz XHCNTADNZYYSJZ-KRWDZBQOSA-N 1 2 342.414 3.535 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000416730082 1038949796 /nfs/dbraw/zinc/94/97/96/1038949796.db2.gz LHTZIKYTXTWXJA-HOTGVXAUSA-N 1 2 334.508 3.692 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccc(C)cc4)o3)CC2)c1 ZINC000552092165 1038949997 /nfs/dbraw/zinc/94/99/97/1038949997.db2.gz AMWILAIYUAUXSG-UHFFFAOYSA-N 1 2 335.407 3.833 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cccc(CC(F)(F)F)c1 ZINC000651404128 1038954172 /nfs/dbraw/zinc/95/41/72/1038954172.db2.gz LADHEROJFATAGQ-UHFFFAOYSA-N 1 2 337.345 3.505 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000155519602 1038982738 /nfs/dbraw/zinc/98/27/38/1038982738.db2.gz FIWCLUVOAQVZKD-KGLIPLIRSA-N 1 2 328.843 3.922 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432743417 1039004468 /nfs/dbraw/zinc/00/44/68/1039004468.db2.gz ZCUZHTOXMRVTJB-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432743417 1039004485 /nfs/dbraw/zinc/00/44/85/1039004485.db2.gz ZCUZHTOXMRVTJB-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)[nH+]1 ZINC000905637757 1039018362 /nfs/dbraw/zinc/01/83/62/1039018362.db2.gz OOFLAMJQOULIEP-UHFFFAOYSA-N 1 2 336.435 3.742 20 0 EHADLO Cn1nc(-c2ccsc2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000488268470 1039024073 /nfs/dbraw/zinc/02/40/73/1039024073.db2.gz WXSHHHMUYQXMHM-UHFFFAOYSA-N 1 2 349.419 3.587 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OCC(C)C ZINC000552147243 1039027140 /nfs/dbraw/zinc/02/71/40/1039027140.db2.gz UYUSUIJBYGMDDS-SFTDATJTSA-N 1 2 345.483 3.873 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OCC(C)C ZINC000552147243 1039027161 /nfs/dbraw/zinc/02/71/61/1039027161.db2.gz UYUSUIJBYGMDDS-SFTDATJTSA-N 1 2 345.483 3.873 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@H](C)[C@H]2C)c1)[NH+]1CCOCC1 ZINC000416809195 1039052100 /nfs/dbraw/zinc/05/21/00/1039052100.db2.gz PYRRKRXBTLIZAD-TWMKSMIVSA-N 1 2 345.487 3.588 20 0 EHADLO C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1c(F)cncc1F ZINC000552205365 1039058436 /nfs/dbraw/zinc/05/84/36/1039058436.db2.gz GSVXHMZUNYOMIM-QMMMGPOBSA-N 1 2 326.730 3.593 20 0 EHADLO Cc1cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000828316525 1039059081 /nfs/dbraw/zinc/05/90/81/1039059081.db2.gz JBOFZSGHGOLLIY-LBPRGKRZSA-N 1 2 334.464 3.768 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512408678 1039059622 /nfs/dbraw/zinc/05/96/22/1039059622.db2.gz JHYLNCWTVGSEIG-NFAWXSAZSA-N 1 2 343.298 3.849 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910790726 1039078555 /nfs/dbraw/zinc/07/85/55/1039078555.db2.gz PKKNJCSKAZFTGG-UHFFFAOYSA-N 1 2 332.403 3.533 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910790726 1039078572 /nfs/dbraw/zinc/07/85/72/1039078572.db2.gz PKKNJCSKAZFTGG-UHFFFAOYSA-N 1 2 332.403 3.533 20 0 EHADLO COc1ccc(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c(F)c1 ZINC000477963510 1039089886 /nfs/dbraw/zinc/08/98/86/1039089886.db2.gz AHNMFXRSBIOVRO-UHFFFAOYSA-N 1 2 339.370 3.714 20 0 EHADLO CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000279919642 1039108841 /nfs/dbraw/zinc/10/88/41/1039108841.db2.gz GMWJKXREXAVGDL-GDBMZVCRSA-N 1 2 327.428 3.919 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ncc(Br)cn1 ZINC000554258034 1039117171 /nfs/dbraw/zinc/11/71/71/1039117171.db2.gz XLDCEKLODVADPH-VHSXEESVSA-N 1 2 346.232 3.527 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667614932 1039128927 /nfs/dbraw/zinc/12/89/27/1039128927.db2.gz BJZMEZXFPMIRGX-VIFPVBQESA-N 1 2 332.395 3.705 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667614932 1039128939 /nfs/dbraw/zinc/12/89/39/1039128939.db2.gz BJZMEZXFPMIRGX-VIFPVBQESA-N 1 2 332.395 3.705 20 0 EHADLO C[C@@](O)(Cn1c2ccccc2[nH+]c1NCc1ccccc1)C(F)F ZINC000905875329 1039152626 /nfs/dbraw/zinc/15/26/26/1039152626.db2.gz FBTYUQUDGHHODN-GOSISDBHSA-N 1 2 331.366 3.665 20 0 EHADLO COc1cccc2c(N3CCC(OC)(C(F)(F)F)CC3)cc[nH+]c12 ZINC000418981881 1039202854 /nfs/dbraw/zinc/20/28/54/1039202854.db2.gz HIHLHSBCLFWEMV-UHFFFAOYSA-N 1 2 340.345 3.791 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000554312262 1039217055 /nfs/dbraw/zinc/21/70/55/1039217055.db2.gz KEOYWPSVZNQFMJ-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000554312262 1039217069 /nfs/dbraw/zinc/21/70/69/1039217069.db2.gz KEOYWPSVZNQFMJ-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO C[N@@H+](Cc1nnc(C(F)(F)F)s1)C[C@H]1CCc2ccccc21 ZINC000662197898 1039241897 /nfs/dbraw/zinc/24/18/97/1039241897.db2.gz WFSKGKMJMCCVMF-LLVKDONJSA-N 1 2 327.375 3.719 20 0 EHADLO C[N@H+](Cc1nnc(C(F)(F)F)s1)C[C@H]1CCc2ccccc21 ZINC000662197898 1039241917 /nfs/dbraw/zinc/24/19/17/1039241917.db2.gz WFSKGKMJMCCVMF-LLVKDONJSA-N 1 2 327.375 3.719 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)cc1F ZINC000488526537 1039243329 /nfs/dbraw/zinc/24/33/29/1039243329.db2.gz XTKQTWLIJTXEFN-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)cc1F ZINC000488526537 1039243351 /nfs/dbraw/zinc/24/33/51/1039243351.db2.gz XTKQTWLIJTXEFN-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000363991020 1039295334 /nfs/dbraw/zinc/29/53/34/1039295334.db2.gz QHUXXFYCNBQHNI-HXUWFJFHSA-N 1 2 347.418 3.614 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccc(F)cc1F ZINC000552514806 1039333131 /nfs/dbraw/zinc/33/31/31/1039333131.db2.gz ODAVCXXQAPTYCA-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccc(F)cc1F ZINC000552514806 1039333147 /nfs/dbraw/zinc/33/31/47/1039333147.db2.gz ODAVCXXQAPTYCA-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[NH+]1CCC2(CCCC2)CC1 ZINC000485666406 1039381569 /nfs/dbraw/zinc/38/15/69/1039381569.db2.gz FQYVEMRGAWYPEQ-GOSISDBHSA-N 1 2 347.455 3.574 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(-n2cccc2)s1 ZINC000667651774 1039383090 /nfs/dbraw/zinc/38/30/90/1039383090.db2.gz IBWRBBSQGBVIBE-UHFFFAOYSA-N 1 2 340.452 3.590 20 0 EHADLO Cc1cc(NC(=O)N(C)c2cccc(OC(F)(F)F)c2)c(C)c[nH+]1 ZINC000584662979 1039407409 /nfs/dbraw/zinc/40/74/09/1039407409.db2.gz QIDSFMKPHFSZFV-UHFFFAOYSA-N 1 2 339.317 3.687 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cn(C4CC4)nn3)oc21 ZINC000906291888 1039453784 /nfs/dbraw/zinc/45/37/84/1039453784.db2.gz XNRZXIIJTAVOCH-LBPRGKRZSA-N 1 2 326.400 3.609 20 0 EHADLO CC(C)[N@H+](Cc1cn[nH]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000660161352 1039458887 /nfs/dbraw/zinc/45/88/87/1039458887.db2.gz JHUXRKGVDZHUIR-UHFFFAOYSA-N 1 2 331.807 3.524 20 0 EHADLO CC(C)[N@@H+](Cc1cn[nH]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000660161352 1039458896 /nfs/dbraw/zinc/45/88/96/1039458896.db2.gz JHUXRKGVDZHUIR-UHFFFAOYSA-N 1 2 331.807 3.524 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542428 1039459884 /nfs/dbraw/zinc/45/98/84/1039459884.db2.gz QMNZJAVVQBCBHU-NVXWUHKLSA-N 1 2 341.459 3.759 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543746 1039463518 /nfs/dbraw/zinc/46/35/18/1039463518.db2.gz CLIHMQOUQOPUNY-GOEBONIOSA-N 1 2 341.459 3.663 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667665437 1039478173 /nfs/dbraw/zinc/47/81/73/1039478173.db2.gz KPFIWJGAAJOYDF-JTQLQIEISA-N 1 2 346.422 3.959 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667665437 1039478186 /nfs/dbraw/zinc/47/81/86/1039478186.db2.gz KPFIWJGAAJOYDF-JTQLQIEISA-N 1 2 346.422 3.959 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000584689234 1039508968 /nfs/dbraw/zinc/50/89/68/1039508968.db2.gz DRGZSBCABGNZNR-SJLPKXTDSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000584689234 1039508976 /nfs/dbraw/zinc/50/89/76/1039508976.db2.gz DRGZSBCABGNZNR-SJLPKXTDSA-N 1 2 347.409 3.540 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1nnc2n1CCCC2 ZINC000489003916 1039551880 /nfs/dbraw/zinc/55/18/80/1039551880.db2.gz ALLAUGJBPMOBPR-AWEZNQCLSA-N 1 2 338.377 3.706 20 0 EHADLO CCC[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000911879604 1039562109 /nfs/dbraw/zinc/56/21/09/1039562109.db2.gz OJKOXMYIKLLZDK-KRWDZBQOSA-N 1 2 330.476 3.546 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000667680453 1039611607 /nfs/dbraw/zinc/61/16/07/1039611607.db2.gz HLVVGFQAHIXCTA-BEFAXECRSA-N 1 2 347.480 3.735 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000667680453 1039611615 /nfs/dbraw/zinc/61/16/15/1039611615.db2.gz HLVVGFQAHIXCTA-BEFAXECRSA-N 1 2 347.480 3.735 20 0 EHADLO Fc1cccc(C2(c3noc([C@@H]4CC[N@@H+]4C4CCCC4)n3)CC2)c1 ZINC000924126289 1039614148 /nfs/dbraw/zinc/61/41/48/1039614148.db2.gz LDTMUKRRNMXKGP-INIZCTEOSA-N 1 2 327.403 3.978 20 0 EHADLO Fc1cccc(C2(c3noc([C@@H]4CC[N@H+]4C4CCCC4)n3)CC2)c1 ZINC000924126289 1039614161 /nfs/dbraw/zinc/61/41/61/1039614161.db2.gz LDTMUKRRNMXKGP-INIZCTEOSA-N 1 2 327.403 3.978 20 0 EHADLO Fc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(F)c1F ZINC000667687205 1039634915 /nfs/dbraw/zinc/63/49/15/1039634915.db2.gz DSHMRYDYNFCFES-OAHLLOKOSA-N 1 2 343.389 3.654 20 0 EHADLO CC1(C)CCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000478720382 1039666173 /nfs/dbraw/zinc/66/61/73/1039666173.db2.gz IPSSBRWIUQZTMT-QGZVFWFLSA-N 1 2 341.455 3.863 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@H]3C[C@H](C)n4ncnc43)cc2)cs1 ZINC000924808446 1039699528 /nfs/dbraw/zinc/69/95/28/1039699528.db2.gz CGIXAWYXUPVOAI-NHYWBVRUSA-N 1 2 325.441 3.506 20 0 EHADLO COc1cc(C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)on1 ZINC000660197808 1039702294 /nfs/dbraw/zinc/70/22/94/1039702294.db2.gz SPHGQOKNTSCFFV-IBGZPJMESA-N 1 2 338.407 3.731 20 0 EHADLO CO[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1 ZINC000906809083 1039753584 /nfs/dbraw/zinc/75/35/84/1039753584.db2.gz JMYJSZOIBSIDLU-INIZCTEOSA-N 1 2 332.831 3.778 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000553090921 1039753931 /nfs/dbraw/zinc/75/39/31/1039753931.db2.gz DTMZFYBNYUKNQT-MAUKXSAKSA-N 1 2 330.447 3.611 20 0 EHADLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000047973317 1039772037 /nfs/dbraw/zinc/77/20/37/1039772037.db2.gz IVQUQDGHBLNUNU-AWEZNQCLSA-N 1 2 340.452 3.553 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434301398 1039807049 /nfs/dbraw/zinc/80/70/49/1039807049.db2.gz PXRCVFIMJJWJHN-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434301398 1039807075 /nfs/dbraw/zinc/80/70/75/1039807075.db2.gz PXRCVFIMJJWJHN-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnc2onc(C)c2c1 ZINC000893911506 1039818600 /nfs/dbraw/zinc/81/86/00/1039818600.db2.gz WEOAAWPIIQMPON-UHFFFAOYSA-N 1 2 331.803 3.825 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2onc(C)c2c1 ZINC000893911506 1039818617 /nfs/dbraw/zinc/81/86/17/1039818617.db2.gz WEOAAWPIIQMPON-UHFFFAOYSA-N 1 2 331.803 3.825 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1nc(Br)nn1C ZINC000893952792 1039880315 /nfs/dbraw/zinc/88/03/15/1039880315.db2.gz VIHTUMOEPPHQDQ-ZDUSSCGKSA-N 1 2 337.265 3.551 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1nc(Br)nn1C ZINC000893952792 1039880334 /nfs/dbraw/zinc/88/03/34/1039880334.db2.gz VIHTUMOEPPHQDQ-ZDUSSCGKSA-N 1 2 337.265 3.551 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2cccc(OC(F)F)n2)no1)n1cc[nH+]c1 ZINC000924132700 1039901651 /nfs/dbraw/zinc/90/16/51/1039901651.db2.gz LZUMXXPSGYGFRU-LBPRGKRZSA-N 1 2 349.341 3.565 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCc2occc21 ZINC000553269734 1039923694 /nfs/dbraw/zinc/92/36/94/1039923694.db2.gz JOUBDAHNWXSNRH-IRXDYDNUSA-N 1 2 335.407 3.719 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)nc3c2CCCC3)[nH]1 ZINC000894010317 1039951402 /nfs/dbraw/zinc/95/14/02/1039951402.db2.gz WYVNIFKDDYWTRN-TZMCWYRMSA-N 1 2 327.476 3.751 20 0 EHADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894018738 1039965042 /nfs/dbraw/zinc/96/50/42/1039965042.db2.gz BSMNNWGOWXWGMH-IBGZPJMESA-N 1 2 346.519 3.536 20 0 EHADLO COc1c(C)ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1C ZINC000554966969 1040009232 /nfs/dbraw/zinc/00/92/32/1040009232.db2.gz HVWJSBJTBGCORI-UHFFFAOYSA-N 1 2 349.434 3.738 20 0 EHADLO COCC[N@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCO[C@H]1C ZINC000489471847 1040014222 /nfs/dbraw/zinc/01/42/22/1040014222.db2.gz ODXJGUVDYCLBJH-YOEHRIQHSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCO[C@H]1C ZINC000489471847 1040014241 /nfs/dbraw/zinc/01/42/41/1040014241.db2.gz ODXJGUVDYCLBJH-YOEHRIQHSA-N 1 2 338.517 3.817 20 0 EHADLO O=C(NCCc1cccc2ccccc21)Nc1ccn2cc[nH+]c2c1 ZINC000554985140 1040016116 /nfs/dbraw/zinc/01/61/16/1040016116.db2.gz HUIMXLVSPZOIED-UHFFFAOYSA-N 1 2 330.391 3.852 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C)[C@@H]3CC3(C)C)cs2)cc1 ZINC000489498019 1040026119 /nfs/dbraw/zinc/02/61/19/1040026119.db2.gz OBZAHWLGAJHUNY-MRXNPFEDSA-N 1 2 343.496 3.863 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)[C@@H]3CC3(C)C)cs2)cc1 ZINC000489498019 1040026134 /nfs/dbraw/zinc/02/61/34/1040026134.db2.gz OBZAHWLGAJHUNY-MRXNPFEDSA-N 1 2 343.496 3.863 20 0 EHADLO COCC[N@H+](Cc1nc(C2CCCCC2)cs1)[C@H]1CCO[C@@H]1C ZINC000489503692 1040027612 /nfs/dbraw/zinc/02/76/12/1040027612.db2.gz VJOUPRIIIRLKFA-PBHICJAKSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1nc(C2CCCCC2)cs1)[C@H]1CCO[C@@H]1C ZINC000489503692 1040027618 /nfs/dbraw/zinc/02/76/18/1040027618.db2.gz VJOUPRIIIRLKFA-PBHICJAKSA-N 1 2 338.517 3.817 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000553384978 1040036117 /nfs/dbraw/zinc/03/61/17/1040036117.db2.gz YSGJSFODNUQBJR-NVXWUHKLSA-N 1 2 340.496 3.617 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000553384978 1040036138 /nfs/dbraw/zinc/03/61/38/1040036138.db2.gz YSGJSFODNUQBJR-NVXWUHKLSA-N 1 2 340.496 3.617 20 0 EHADLO COc1ccc2ccc(N[C@@H]3CCO[C@H](c4ccncc4)C3)[nH+]c2c1 ZINC000894078663 1040058552 /nfs/dbraw/zinc/05/85/52/1040058552.db2.gz MWFHKQIDSRZIHD-APWZRJJASA-N 1 2 335.407 3.971 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1 ZINC000894093579 1040074366 /nfs/dbraw/zinc/07/43/66/1040074366.db2.gz GUAFVSNPTLFKQY-MRXNPFEDSA-N 1 2 329.419 3.910 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1 ZINC000894093579 1040074383 /nfs/dbraw/zinc/07/43/83/1040074383.db2.gz GUAFVSNPTLFKQY-MRXNPFEDSA-N 1 2 329.419 3.910 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H](OC(F)F)C3)cs2)cc1 ZINC000555077198 1040116710 /nfs/dbraw/zinc/11/67/10/1040116710.db2.gz VIYWPNHXOOJVOX-ZDUSSCGKSA-N 1 2 328.359 3.763 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](OC(F)F)C3)cs2)cc1 ZINC000555077198 1040116714 /nfs/dbraw/zinc/11/67/14/1040116714.db2.gz VIYWPNHXOOJVOX-ZDUSSCGKSA-N 1 2 328.359 3.763 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1C ZINC000555075043 1040132141 /nfs/dbraw/zinc/13/21/41/1040132141.db2.gz KQEBGHOLAZXUEX-GOSISDBHSA-N 1 2 335.350 3.584 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1C ZINC000555075043 1040132155 /nfs/dbraw/zinc/13/21/55/1040132155.db2.gz KQEBGHOLAZXUEX-GOSISDBHSA-N 1 2 335.350 3.584 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000480898381 1040146828 /nfs/dbraw/zinc/14/68/28/1040146828.db2.gz MTZBRHKNWDSIPB-IBGZPJMESA-N 1 2 344.430 3.657 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000480898381 1040146835 /nfs/dbraw/zinc/14/68/35/1040146835.db2.gz MTZBRHKNWDSIPB-IBGZPJMESA-N 1 2 344.430 3.657 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000667471099 1040152143 /nfs/dbraw/zinc/15/21/43/1040152143.db2.gz XKQKGCVBTALCAE-HNNXBMFYSA-N 1 2 338.377 3.951 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000667471099 1040152154 /nfs/dbraw/zinc/15/21/54/1040152154.db2.gz XKQKGCVBTALCAE-HNNXBMFYSA-N 1 2 338.377 3.951 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811001 1040177385 /nfs/dbraw/zinc/17/73/85/1040177385.db2.gz RCRISWBZWXBGQS-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811001 1040177403 /nfs/dbraw/zinc/17/74/03/1040177403.db2.gz RCRISWBZWXBGQS-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810145 1040178334 /nfs/dbraw/zinc/17/83/34/1040178334.db2.gz NZUAJSBOYHSSSS-HUUCEWRRSA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810145 1040178345 /nfs/dbraw/zinc/17/83/45/1040178345.db2.gz NZUAJSBOYHSSSS-HUUCEWRRSA-N 1 2 329.488 3.867 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814802 1040180274 /nfs/dbraw/zinc/18/02/74/1040180274.db2.gz GVJJVYNDSZTOQM-HRCADAONSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814802 1040180296 /nfs/dbraw/zinc/18/02/96/1040180296.db2.gz GVJJVYNDSZTOQM-HRCADAONSA-N 1 2 329.488 3.723 20 0 EHADLO CSCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816896 1040184096 /nfs/dbraw/zinc/18/40/96/1040184096.db2.gz ZAELAJOKMKSYBM-OAHLLOKOSA-N 1 2 349.544 3.964 20 0 EHADLO CSCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816896 1040184105 /nfs/dbraw/zinc/18/41/05/1040184105.db2.gz ZAELAJOKMKSYBM-OAHLLOKOSA-N 1 2 349.544 3.964 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c[nH+]1 ZINC000899232151 1040195709 /nfs/dbraw/zinc/19/57/09/1040195709.db2.gz ZZDGQVWKDXHKCD-UHFFFAOYSA-N 1 2 344.434 3.695 20 0 EHADLO CN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@H]1CCC(C)(C)C1 ZINC000907912895 1040228571 /nfs/dbraw/zinc/22/85/71/1040228571.db2.gz PKRZORDMYNNXOC-SFHVURJKSA-N 1 2 340.471 3.646 20 0 EHADLO CCC(C)(C)C(=O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000907936297 1040236312 /nfs/dbraw/zinc/23/63/12/1040236312.db2.gz RSGRZXCUIFLTSS-UHFFFAOYSA-N 1 2 339.439 3.830 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553639226 1040266559 /nfs/dbraw/zinc/26/65/59/1040266559.db2.gz ZGYWBGZEAMKQQK-IBGZPJMESA-N 1 2 348.450 3.780 20 0 EHADLO COc1ccccc1C[N@H+](Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000667498398 1040290691 /nfs/dbraw/zinc/29/06/91/1040290691.db2.gz HFVWSAFGKDUDKC-UHFFFAOYSA-N 1 2 325.456 3.861 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000667498398 1040290703 /nfs/dbraw/zinc/29/07/03/1040290703.db2.gz HFVWSAFGKDUDKC-UHFFFAOYSA-N 1 2 325.456 3.861 20 0 EHADLO COc1ccc(OC)c(CN(Cc2c[nH+]c(C)n2C)C(C)(C)C)c1 ZINC000667500836 1040306333 /nfs/dbraw/zinc/30/63/33/1040306333.db2.gz CJFQIHJTAPOXGK-UHFFFAOYSA-N 1 2 331.460 3.546 20 0 EHADLO C[N@H+](C[C@@H]1CC=CCC1)Cn1ncn(-c2ccccc2F)c1=S ZINC000784015038 1040332711 /nfs/dbraw/zinc/33/27/11/1040332711.db2.gz ZHOOIVUTZRCNSM-CQSZACIVSA-N 1 2 332.448 3.788 20 0 EHADLO C[N@@H+](C[C@@H]1CC=CCC1)Cn1ncn(-c2ccccc2F)c1=S ZINC000784015038 1040332723 /nfs/dbraw/zinc/33/27/23/1040332723.db2.gz ZHOOIVUTZRCNSM-CQSZACIVSA-N 1 2 332.448 3.788 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000490080674 1040339653 /nfs/dbraw/zinc/33/96/53/1040339653.db2.gz PMGGSQCNPCYFKD-GOSISDBHSA-N 1 2 346.858 3.622 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000490080674 1040339668 /nfs/dbraw/zinc/33/96/68/1040339668.db2.gz PMGGSQCNPCYFKD-GOSISDBHSA-N 1 2 346.858 3.622 20 0 EHADLO COc1ccc([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c(C)c1OC ZINC000908218507 1040357037 /nfs/dbraw/zinc/35/70/37/1040357037.db2.gz AKFQOJIJWBSBAF-AWEZNQCLSA-N 1 2 342.439 3.823 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1cccc(CO)c1 ZINC000479548942 1040357796 /nfs/dbraw/zinc/35/77/96/1040357796.db2.gz YFJDFBWJSFVNNU-BDJLRTHQSA-N 1 2 340.250 3.870 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c[nH+]1 ZINC000908279105 1040380987 /nfs/dbraw/zinc/38/09/87/1040380987.db2.gz JHJFUYYVSPBKMS-UHFFFAOYSA-N 1 2 325.334 3.893 20 0 EHADLO CCn1c(C)nn(C[N@H+](CC)Cc2c[nH]c3ccccc23)c1=S ZINC000190405998 1040395701 /nfs/dbraw/zinc/39/57/01/1040395701.db2.gz VTQJCVBJUVFJNO-UHFFFAOYSA-N 1 2 329.473 3.703 20 0 EHADLO CCn1c(C)nn(C[N@@H+](CC)Cc2c[nH]c3ccccc23)c1=S ZINC000190405998 1040395714 /nfs/dbraw/zinc/39/57/14/1040395714.db2.gz VTQJCVBJUVFJNO-UHFFFAOYSA-N 1 2 329.473 3.703 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000473466221 1040437324 /nfs/dbraw/zinc/43/73/24/1040437324.db2.gz YWSLWSMMFIEODN-BRWVUGGUSA-N 1 2 340.471 3.507 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000668684118 1040461590 /nfs/dbraw/zinc/46/15/90/1040461590.db2.gz ABWRKAXRDQUQMA-UHFFFAOYSA-N 1 2 345.874 3.618 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000668684118 1040461598 /nfs/dbraw/zinc/46/15/98/1040461598.db2.gz ABWRKAXRDQUQMA-UHFFFAOYSA-N 1 2 345.874 3.618 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@@](=O)C[C@H](C)C3)o2)cc1 ZINC000433027217 1040493189 /nfs/dbraw/zinc/49/31/89/1040493189.db2.gz JYUUGIXDJNXGOK-IQMFZBJNSA-N 1 2 331.481 3.709 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@@](=O)C[C@H](C)C3)o2)cc1 ZINC000433027217 1040493197 /nfs/dbraw/zinc/49/31/97/1040493197.db2.gz JYUUGIXDJNXGOK-IQMFZBJNSA-N 1 2 331.481 3.709 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2ccccc2s1 ZINC000247521147 1040605945 /nfs/dbraw/zinc/60/59/45/1040605945.db2.gz XKHVZBZDZVALBX-UHFFFAOYSA-N 1 2 337.448 3.827 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCc1ccc(C(F)F)cc1)CCN2 ZINC000913177338 1040623199 /nfs/dbraw/zinc/62/31/99/1040623199.db2.gz MWBQBNZSWXJIPT-UHFFFAOYSA-N 1 2 331.366 3.719 20 0 EHADLO CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487027380 1040660337 /nfs/dbraw/zinc/66/03/37/1040660337.db2.gz BZRFPJDVIOUMLE-IBGZPJMESA-N 1 2 349.434 3.655 20 0 EHADLO CCOc1c(OC)cc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1OC ZINC000924871281 1040670500 /nfs/dbraw/zinc/67/05/00/1040670500.db2.gz IPOXYEVKQABXCL-AWEZNQCLSA-N 1 2 346.427 3.566 20 0 EHADLO CCn1ccnc1C[NH2+]Cc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC000687631401 1040692581 /nfs/dbraw/zinc/69/25/81/1040692581.db2.gz IOURHPZDCFPBAG-UHFFFAOYSA-N 1 2 348.422 3.679 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CO2)c1 ZINC000759793092 1040727765 /nfs/dbraw/zinc/72/77/65/1040727765.db2.gz LJVZCCAXAPIQMM-FUHWJXTLSA-N 1 2 348.487 3.590 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CO2)c1 ZINC000759793092 1040727779 /nfs/dbraw/zinc/72/77/79/1040727779.db2.gz LJVZCCAXAPIQMM-FUHWJXTLSA-N 1 2 348.487 3.590 20 0 EHADLO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1OC ZINC000668767500 1040849462 /nfs/dbraw/zinc/84/94/62/1040849462.db2.gz HGNUBAVZCWPVJM-TZMCWYRMSA-N 1 2 347.377 3.554 20 0 EHADLO COc1cc(C)c(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1OC ZINC000668767500 1040849478 /nfs/dbraw/zinc/84/94/78/1040849478.db2.gz HGNUBAVZCWPVJM-TZMCWYRMSA-N 1 2 347.377 3.554 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2ccsc2Br)c1 ZINC000555586990 1040867542 /nfs/dbraw/zinc/86/75/42/1040867542.db2.gz QHDFWQQSVIEOAZ-UHFFFAOYSA-N 1 2 330.222 3.948 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C12CCCC2 ZINC000555596695 1040897290 /nfs/dbraw/zinc/89/72/90/1040897290.db2.gz YYMYXUZNIYQMBP-GVDBMIGSSA-N 1 2 332.492 3.754 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)cc1Cl ZINC000487320097 1040911368 /nfs/dbraw/zinc/91/13/68/1040911368.db2.gz LNLSKCJNDDGEQL-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)cc1Cl ZINC000487320097 1040911384 /nfs/dbraw/zinc/91/13/84/1040911384.db2.gz LNLSKCJNDDGEQL-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000481457846 1040930300 /nfs/dbraw/zinc/93/03/00/1040930300.db2.gz GQIWQUQRQQIMFH-ABAIWWIYSA-N 1 2 337.851 3.886 20 0 EHADLO CC(C)=CCC[C@@H](C)CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000843807249 1040995686 /nfs/dbraw/zinc/99/56/86/1040995686.db2.gz AHQWGFRYGQTMQU-OAHLLOKOSA-N 1 2 330.463 3.947 20 0 EHADLO CC(C)=CCC[C@@H](C)CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000843807249 1040995731 /nfs/dbraw/zinc/99/57/31/1040995731.db2.gz AHQWGFRYGQTMQU-OAHLLOKOSA-N 1 2 330.463 3.947 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCC(C)(C)c3ccccc3)[nH+]c12 ZINC000586755226 1040999070 /nfs/dbraw/zinc/99/90/70/1040999070.db2.gz RGUXRXAAFVKZQC-UHFFFAOYSA-N 1 2 335.451 3.669 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000512827135 1041048343 /nfs/dbraw/zinc/04/83/43/1041048343.db2.gz LLLOJDGIKAXXJB-IRXDYDNUSA-N 1 2 332.492 3.789 20 0 EHADLO Cc1cn2cc(NC(=O)c3c(F)cccc3Br)ccc2[nH+]1 ZINC000487720468 1041068762 /nfs/dbraw/zinc/06/87/62/1041068762.db2.gz XDICLVMHRUBXFX-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](C)CCCC(F)(F)F ZINC000481576196 1041084860 /nfs/dbraw/zinc/08/48/60/1041084860.db2.gz JACNYYPMZLAIBZ-UKRRQHHQSA-N 1 2 331.378 3.790 20 0 EHADLO Fc1ccc(C[C@@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000055018747 1041100659 /nfs/dbraw/zinc/10/06/59/1041100659.db2.gz SAUVGVNQDBSOJS-INIZCTEOSA-N 1 2 332.448 3.553 20 0 EHADLO Fc1ccc(C[C@@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000055018747 1041100665 /nfs/dbraw/zinc/10/06/65/1041100665.db2.gz SAUVGVNQDBSOJS-INIZCTEOSA-N 1 2 332.448 3.553 20 0 EHADLO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2ccoc2C)cc1)C(C)C ZINC000055052464 1041107870 /nfs/dbraw/zinc/10/78/70/1041107870.db2.gz JUDLDFRSBNGECN-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2ccoc2C)cc1)C(C)C ZINC000055052464 1041107882 /nfs/dbraw/zinc/10/78/82/1041107882.db2.gz JUDLDFRSBNGECN-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC(F)F)C1CCC1 ZINC000899785703 1041122702 /nfs/dbraw/zinc/12/27/02/1041122702.db2.gz IGZUDBCWGVFQNM-HNNXBMFYSA-N 1 2 333.382 3.578 20 0 EHADLO CCCCOc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000500913171 1041134063 /nfs/dbraw/zinc/13/40/63/1041134063.db2.gz GQQWUISTUNEAIU-KRWDZBQOSA-N 1 2 345.443 3.697 20 0 EHADLO CCCCOc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000500913171 1041134076 /nfs/dbraw/zinc/13/40/76/1041134076.db2.gz GQQWUISTUNEAIU-KRWDZBQOSA-N 1 2 345.443 3.697 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000433252177 1041174489 /nfs/dbraw/zinc/17/44/89/1041174489.db2.gz MEKZDABUXUGTJC-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000433252177 1041174492 /nfs/dbraw/zinc/17/44/92/1041174492.db2.gz MEKZDABUXUGTJC-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000364402707 1041185634 /nfs/dbraw/zinc/18/56/34/1041185634.db2.gz KBEVWAWTOQEHHU-OAHLLOKOSA-N 1 2 340.379 3.935 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000364402707 1041185640 /nfs/dbraw/zinc/18/56/40/1041185640.db2.gz KBEVWAWTOQEHHU-OAHLLOKOSA-N 1 2 340.379 3.935 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000343867206 1041202773 /nfs/dbraw/zinc/20/27/73/1041202773.db2.gz OUSPEVKPJORPRC-HZPDHXFCSA-N 1 2 339.345 3.893 20 0 EHADLO c1cc(-c2ccc(CNc3ccccc3OCCn3cc[nH+]c3)o2)n[nH]1 ZINC000433335708 1041299290 /nfs/dbraw/zinc/29/92/90/1041299290.db2.gz QTPCAQAFFTYNQL-UHFFFAOYSA-N 1 2 349.394 3.557 20 0 EHADLO Cc1nnc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)s1 ZINC000369736765 1041333490 /nfs/dbraw/zinc/33/34/90/1041333490.db2.gz DDBOCRJHPDMUOE-UHFFFAOYSA-N 1 2 325.840 3.961 20 0 EHADLO c1cn(-c2ccc(CNc3ccc(-c4ccccc4)cn3)cc2)c[nH+]1 ZINC000614335699 1041359573 /nfs/dbraw/zinc/35/95/73/1041359573.db2.gz JUFLIQXOMYRETO-UHFFFAOYSA-N 1 2 326.403 3.968 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC000429978775 1041415186 /nfs/dbraw/zinc/41/51/86/1041415186.db2.gz FJPRXHZFHPVHNS-UHFFFAOYSA-N 1 2 349.369 3.556 20 0 EHADLO CCCCOc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000513053324 1041431151 /nfs/dbraw/zinc/43/11/51/1041431151.db2.gz BTZLWYXVECVUNP-UHFFFAOYSA-N 1 2 325.456 3.895 20 0 EHADLO CCc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000043333577 1041494889 /nfs/dbraw/zinc/49/48/89/1041494889.db2.gz CWONIEPTYGBNCL-UHFFFAOYSA-N 1 2 348.450 3.858 20 0 EHADLO COc1cccc(NC2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)c1 ZINC000110036875 1041498265 /nfs/dbraw/zinc/49/82/65/1041498265.db2.gz HUCGAMUUEXIYSY-CQSZACIVSA-N 1 2 344.459 3.839 20 0 EHADLO CC[N@H+](Cc1cc2ccccc2[nH]c1=O)Cc1c(F)cccc1F ZINC000111214791 1041534270 /nfs/dbraw/zinc/53/42/70/1041534270.db2.gz QZOBBYKIHLMFGF-UHFFFAOYSA-N 1 2 328.362 3.828 20 0 EHADLO CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)Cc1c(F)cccc1F ZINC000111214791 1041534284 /nfs/dbraw/zinc/53/42/84/1041534284.db2.gz QZOBBYKIHLMFGF-UHFFFAOYSA-N 1 2 328.362 3.828 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000111376067 1041547203 /nfs/dbraw/zinc/54/72/03/1041547203.db2.gz OBZNJMZSEXHUSJ-SOUVJXGZSA-N 1 2 345.512 3.930 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](C)Cc3cccc(Cl)c3)cs2)cn1 ZINC000047264913 1041600203 /nfs/dbraw/zinc/60/02/03/1041600203.db2.gz OWXOIVQTIUPPLS-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](C)Cc3cccc(Cl)c3)cs2)cn1 ZINC000047264913 1041600207 /nfs/dbraw/zinc/60/02/07/1041600207.db2.gz OWXOIVQTIUPPLS-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@H](c3ccccc3)C2)oc1C ZINC000292718241 1041601287 /nfs/dbraw/zinc/60/12/87/1041601287.db2.gz UJXGJOKOVPZESB-UGSOOPFHSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@H](c3ccccc3)C2)oc1C ZINC000292718241 1041601293 /nfs/dbraw/zinc/60/12/93/1041601293.db2.gz UJXGJOKOVPZESB-UGSOOPFHSA-N 1 2 329.396 3.509 20 0 EHADLO C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102198 1041605927 /nfs/dbraw/zinc/60/59/27/1041605927.db2.gz JUFFNRAYQRHAJN-QFBILLFUSA-N 1 2 337.467 3.762 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432131554 1041627047 /nfs/dbraw/zinc/62/70/47/1041627047.db2.gz YXNRLIDSHFIWLY-CYBMUJFWSA-N 1 2 335.333 3.511 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000647693201 1041691347 /nfs/dbraw/zinc/69/13/47/1041691347.db2.gz BHKBWGOEFDHVMI-KRWDZBQOSA-N 1 2 349.544 3.824 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](CC(C)C)C2CC2)c(=S)n1C ZINC000026625621 1041721213 /nfs/dbraw/zinc/72/12/13/1041721213.db2.gz UYOQIIUWHNRHSX-UHFFFAOYSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](CC(C)C)C2CC2)c(=S)n1C ZINC000026625621 1041721217 /nfs/dbraw/zinc/72/12/17/1041721217.db2.gz UYOQIIUWHNRHSX-UHFFFAOYSA-N 1 2 346.500 3.705 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@H+](Cc1cccs1)C1CC1 ZINC000026637921 1041726996 /nfs/dbraw/zinc/72/69/96/1041726996.db2.gz SFWJYBXUJOIFLJ-UHFFFAOYSA-N 1 2 334.828 3.932 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@@H+](Cc1cccs1)C1CC1 ZINC000026637921 1041727004 /nfs/dbraw/zinc/72/70/04/1041727004.db2.gz SFWJYBXUJOIFLJ-UHFFFAOYSA-N 1 2 334.828 3.932 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(CSc2ccccc2)cc1 ZINC000043947123 1041794075 /nfs/dbraw/zinc/79/40/75/1041794075.db2.gz QBJHYYJGEYZTCU-UHFFFAOYSA-N 1 2 337.448 3.605 20 0 EHADLO C[N@H+](C[C@H]1CCc2ccccc2C1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766046 1041813447 /nfs/dbraw/zinc/81/34/47/1041813447.db2.gz ZWYQSKYLZZUNPF-JXFKEZNVSA-N 1 2 332.451 3.631 20 0 EHADLO C[N@@H+](C[C@H]1CCc2ccccc2C1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766046 1041813449 /nfs/dbraw/zinc/81/34/49/1041813449.db2.gz ZWYQSKYLZZUNPF-JXFKEZNVSA-N 1 2 332.451 3.631 20 0 EHADLO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799881 1041831648 /nfs/dbraw/zinc/83/16/48/1041831648.db2.gz INGAGQJFDPHKSK-HZPDHXFCSA-N 1 2 337.341 3.735 20 0 EHADLO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799881 1041831653 /nfs/dbraw/zinc/83/16/53/1041831653.db2.gz INGAGQJFDPHKSK-HZPDHXFCSA-N 1 2 337.341 3.735 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552044 1041937670 /nfs/dbraw/zinc/93/76/70/1041937670.db2.gz OBDMBAFWRSZSEA-NSHDSACASA-N 1 2 328.803 3.564 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(OC)cc2OC)o1 ZINC000651764137 1042009356 /nfs/dbraw/zinc/00/93/56/1042009356.db2.gz GBWYCLSPGRUHKD-INIZCTEOSA-N 1 2 349.402 3.919 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(OC)cc2OC)o1 ZINC000651764137 1042009364 /nfs/dbraw/zinc/00/93/64/1042009364.db2.gz GBWYCLSPGRUHKD-INIZCTEOSA-N 1 2 349.402 3.919 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c[nH+]1 ZINC000661292815 1042052074 /nfs/dbraw/zinc/05/20/74/1042052074.db2.gz SGCWTASXWOTDIN-SFHVURJKSA-N 1 2 336.439 3.530 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cscn1 ZINC000661418065 1042110380 /nfs/dbraw/zinc/11/03/80/1042110380.db2.gz FBRSOQHJKWNNBU-RYUDHWBXSA-N 1 2 337.876 3.667 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cscn1 ZINC000661417758 1042111598 /nfs/dbraw/zinc/11/15/98/1042111598.db2.gz CTHIQBGFLDEUFA-IAQYHMDHSA-N 1 2 337.514 3.759 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1cscn1 ZINC000661424627 1042114826 /nfs/dbraw/zinc/11/48/26/1042114826.db2.gz LLSKGZFXOIEIDC-OLZOCXBDSA-N 1 2 347.509 3.711 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000661426493 1042115609 /nfs/dbraw/zinc/11/56/09/1042115609.db2.gz XCIQSKBFBAKPKB-GJZGRUSLSA-N 1 2 345.512 3.870 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc(OC)c1 ZINC000661474555 1042142668 /nfs/dbraw/zinc/14/26/68/1042142668.db2.gz XMYYPWMKIPWNAJ-INIZCTEOSA-N 1 2 341.238 3.874 20 0 EHADLO COc1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000661561460 1042188944 /nfs/dbraw/zinc/18/89/44/1042188944.db2.gz LSVIHNKNFODWIB-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000661561460 1042188947 /nfs/dbraw/zinc/18/89/47/1042188947.db2.gz LSVIHNKNFODWIB-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661559602 1042189182 /nfs/dbraw/zinc/18/91/82/1042189182.db2.gz PHQLGGZQLMWRLX-HZPDHXFCSA-N 1 2 346.519 3.933 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3cnc4ccccc4n3)CC23CCOCC3)c1 ZINC000661562718 1042191677 /nfs/dbraw/zinc/19/16/77/1042191677.db2.gz STXJBHYSDWFFAZ-IBGZPJMESA-N 1 2 335.407 3.577 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3cnc4ccccc4n3)CC23CCOCC3)c1 ZINC000661562718 1042191680 /nfs/dbraw/zinc/19/16/80/1042191680.db2.gz STXJBHYSDWFFAZ-IBGZPJMESA-N 1 2 335.407 3.577 20 0 EHADLO COCCOc1c(Cl)cccc1NCc1c[nH+]c2c(C)cccn12 ZINC000123563590 1042204379 /nfs/dbraw/zinc/20/43/79/1042204379.db2.gz LBRVPTUCROCRLJ-UHFFFAOYSA-N 1 2 345.830 3.933 20 0 EHADLO CCc1ccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066890419 1042209812 /nfs/dbraw/zinc/20/98/12/1042209812.db2.gz VHUFFSKKAWNPCP-UHFFFAOYSA-N 1 2 348.450 3.776 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890540 1042210664 /nfs/dbraw/zinc/21/06/64/1042210664.db2.gz NEDZLTPMLUSDBU-MRXNPFEDSA-N 1 2 334.423 3.775 20 0 EHADLO CC(C)[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1F ZINC000661670909 1042248897 /nfs/dbraw/zinc/24/88/97/1042248897.db2.gz YSBSQRLIBULPPW-SFHVURJKSA-N 1 2 340.402 3.670 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736812 1042293670 /nfs/dbraw/zinc/29/36/70/1042293670.db2.gz PVCWBAYNFWBYKK-QGZVFWFLSA-N 1 2 333.863 3.734 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736812 1042293671 /nfs/dbraw/zinc/29/36/71/1042293671.db2.gz PVCWBAYNFWBYKK-QGZVFWFLSA-N 1 2 333.863 3.734 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(c1ccc(Br)cc1)C1CC1 ZINC000661804608 1042339056 /nfs/dbraw/zinc/33/90/56/1042339056.db2.gz WKVBWVNABORGFI-UHFFFAOYSA-N 1 2 348.244 3.621 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000151993470 1042373840 /nfs/dbraw/zinc/37/38/40/1042373840.db2.gz IAOJGXZOQFWSGF-MRXNPFEDSA-N 1 2 343.430 3.655 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000626235094 1042394441 /nfs/dbraw/zinc/39/44/41/1042394441.db2.gz YZJFOXOYRLTJAD-OALUTQOASA-N 1 2 343.471 3.563 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1csc(-c3ccccn3)n1)CC2 ZINC000661953837 1042428825 /nfs/dbraw/zinc/42/88/25/1042428825.db2.gz RINBMPOVJXVVLL-UHFFFAOYSA-N 1 2 327.453 3.540 20 0 EHADLO O=S(=O)(Nc1ccc([NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000244206873 1042435095 /nfs/dbraw/zinc/43/50/95/1042435095.db2.gz VRXGTOKKZCYQNU-UHFFFAOYSA-N 1 2 330.453 3.868 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCCC4)OC[C@@H]3C)o2)cc1 ZINC000661984935 1042443317 /nfs/dbraw/zinc/44/33/17/1042443317.db2.gz NYEKECNUQMSYKP-HNNXBMFYSA-N 1 2 327.428 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCCC4)OC[C@@H]3C)o2)cc1 ZINC000661984935 1042443319 /nfs/dbraw/zinc/44/33/19/1042443319.db2.gz NYEKECNUQMSYKP-HNNXBMFYSA-N 1 2 327.428 3.579 20 0 EHADLO CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000432270462 1042450718 /nfs/dbraw/zinc/45/07/18/1042450718.db2.gz LGIKGFLWRDWMSZ-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1 ZINC000181826024 1042480356 /nfs/dbraw/zinc/48/03/56/1042480356.db2.gz ONXCEDHYZXWTDL-QGZVFWFLSA-N 1 2 342.439 3.726 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(-c4cccs4)no3)CCC2)c1 ZINC000662109311 1042525254 /nfs/dbraw/zinc/52/52/54/1042525254.db2.gz WNUVCBAPIIUBIE-UHFFFAOYSA-N 1 2 341.436 3.976 20 0 EHADLO COc1ccc(NC(=S)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058466612 1042597317 /nfs/dbraw/zinc/59/73/17/1042597317.db2.gz DIPHVJDIAZQDSH-UHFFFAOYSA-N 1 2 345.468 3.544 20 0 EHADLO C[N@H+](CC1=CCSC1)Cc1c(F)ccc(Br)c1F ZINC000662263900 1042640760 /nfs/dbraw/zinc/64/07/60/1042640760.db2.gz NWEHGFALBRAMSL-UHFFFAOYSA-N 1 2 334.229 3.832 20 0 EHADLO C[N@@H+](CC1=CCSC1)Cc1c(F)ccc(Br)c1F ZINC000662263900 1042640761 /nfs/dbraw/zinc/64/07/61/1042640761.db2.gz NWEHGFALBRAMSL-UHFFFAOYSA-N 1 2 334.229 3.832 20 0 EHADLO CSCc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602099617 1042663049 /nfs/dbraw/zinc/66/30/49/1042663049.db2.gz XQDFUXPYCRARGN-ZDUSSCGKSA-N 1 2 343.374 3.878 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2cnccn2)c1OC1CCCC1 ZINC000165203883 1042673147 /nfs/dbraw/zinc/67/31/47/1042673147.db2.gz UBFOZGGSVOLZKE-CQSZACIVSA-N 1 2 327.428 3.657 20 0 EHADLO O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161748054 1042683861 /nfs/dbraw/zinc/68/38/61/1042683861.db2.gz QJRHCQZWGNFNLJ-QAPCUYQASA-N 1 2 343.858 3.757 20 0 EHADLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1Cl ZINC000663326848 1042694796 /nfs/dbraw/zinc/69/47/96/1042694796.db2.gz WKJXDTKBTYYZAF-ZDUSSCGKSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1Cl ZINC000663326848 1042694799 /nfs/dbraw/zinc/69/47/99/1042694799.db2.gz WKJXDTKBTYYZAF-ZDUSSCGKSA-N 1 2 346.862 3.654 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cs1 ZINC000165251980 1042737713 /nfs/dbraw/zinc/73/77/13/1042737713.db2.gz OCPDAZZDIVEEET-DGCLKSJQSA-N 1 2 336.505 3.961 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000278867309 1042764561 /nfs/dbraw/zinc/76/45/61/1042764561.db2.gz YHYDDDRDTQRMKO-QWRGUYRKSA-N 1 2 331.445 3.886 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000278874601 1042798841 /nfs/dbraw/zinc/79/88/41/1042798841.db2.gz CECQVOLTHDNKRH-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C2CC2)C2CC2)c(C)c1 ZINC000636959531 1042895652 /nfs/dbraw/zinc/89/56/52/1042895652.db2.gz MUANZPOGKBRSQH-LJQANCHMSA-N 1 2 338.455 3.578 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272423 1042908297 /nfs/dbraw/zinc/90/82/97/1042908297.db2.gz CVNUSZVUSVZTQU-UNEWFSDZSA-N 1 2 341.455 3.985 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC(C)(C)C1 ZINC000303208807 1042917332 /nfs/dbraw/zinc/91/73/32/1042917332.db2.gz QOWHZCWKYSWVID-CHWSQXEVSA-N 1 2 335.517 3.922 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC(C)(C)C1 ZINC000303208807 1042917335 /nfs/dbraw/zinc/91/73/35/1042917335.db2.gz QOWHZCWKYSWVID-CHWSQXEVSA-N 1 2 335.517 3.922 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000343949088 1042922965 /nfs/dbraw/zinc/92/29/65/1042922965.db2.gz WVSVZEDHELHINO-CYBMUJFWSA-N 1 2 329.387 3.592 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000343949088 1042922968 /nfs/dbraw/zinc/92/29/68/1042922968.db2.gz WVSVZEDHELHINO-CYBMUJFWSA-N 1 2 329.387 3.592 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000408275253 1042927672 /nfs/dbraw/zinc/92/76/72/1042927672.db2.gz WUKFJSRDURCAMF-OCCSQVGLSA-N 1 2 346.500 3.669 20 0 EHADLO Cn1cccc1[C@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852925 1043001155 /nfs/dbraw/zinc/00/11/55/1043001155.db2.gz ZFKGTRKNYICQIZ-PKOBYXMFSA-N 1 2 348.450 3.634 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278960321 1043089108 /nfs/dbraw/zinc/08/91/08/1043089108.db2.gz NHCCMTYYCRGQNR-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1nc2ccc(F)cc2s1 ZINC000432411408 1043123016 /nfs/dbraw/zinc/12/30/16/1043123016.db2.gz XXLYMGFUORNADF-UHFFFAOYSA-N 1 2 326.400 3.839 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279026700 1043218876 /nfs/dbraw/zinc/21/88/76/1043218876.db2.gz WIYLCWCGJAGRGZ-IVZWLZJFSA-N 1 2 337.411 3.506 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000344098248 1043240230 /nfs/dbraw/zinc/24/02/30/1043240230.db2.gz YGYYMRLAOVFEFZ-JJRVBVJISA-N 1 2 345.443 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000344098248 1043240239 /nfs/dbraw/zinc/24/02/39/1043240239.db2.gz YGYYMRLAOVFEFZ-JJRVBVJISA-N 1 2 345.443 3.759 20 0 EHADLO Cn1ncc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c1C(F)(F)F ZINC000344119536 1043290474 /nfs/dbraw/zinc/29/04/74/1043290474.db2.gz RHPHXYWHAVXHKO-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO Cn1ncc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)c1C(F)(F)F ZINC000344119536 1043290486 /nfs/dbraw/zinc/29/04/86/1043290486.db2.gz RHPHXYWHAVXHKO-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccoc3)no2)Cc2ccccc2O1 ZINC000344126785 1043293613 /nfs/dbraw/zinc/29/36/13/1043293613.db2.gz XTOJPFGKXZBNGR-UHFFFAOYSA-N 1 2 325.368 3.503 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccoc3)no2)Cc2ccccc2O1 ZINC000344126785 1043293623 /nfs/dbraw/zinc/29/36/23/1043293623.db2.gz XTOJPFGKXZBNGR-UHFFFAOYSA-N 1 2 325.368 3.503 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)c1cncnc1)CCO2 ZINC000344134080 1043306716 /nfs/dbraw/zinc/30/67/16/1043306716.db2.gz ODJPVIZSYYVPQP-CTNGQTDRSA-N 1 2 347.418 3.688 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2cccnc2s1)c1cccc(Cl)c1 ZINC000344197679 1043401175 /nfs/dbraw/zinc/40/11/75/1043401175.db2.gz MKGKMYIUOGSRCN-AWEZNQCLSA-N 1 2 333.844 3.822 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)s1 ZINC000279145608 1043447069 /nfs/dbraw/zinc/44/70/69/1043447069.db2.gz OIQGZABKEWDBIN-UHFFFAOYSA-N 1 2 343.496 3.857 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344245681 1043509824 /nfs/dbraw/zinc/50/98/24/1043509824.db2.gz GCOVZGVBAYARRC-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO C[C@@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000512172478 1043605001 /nfs/dbraw/zinc/60/50/01/1043605001.db2.gz YNLLWNGZCXZPBT-MRXNPFEDSA-N 1 2 330.476 3.546 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076073448 1043671312 /nfs/dbraw/zinc/67/13/12/1043671312.db2.gz RVQLDTPHUBPVSF-CYBMUJFWSA-N 1 2 340.452 3.714 20 0 EHADLO O=C(NCCCSc1ccc(F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000606581377 1043694783 /nfs/dbraw/zinc/69/47/83/1043694783.db2.gz AUALBIZVYPBJTC-UHFFFAOYSA-N 1 2 344.415 3.777 20 0 EHADLO O=C(CCOc1ccc(F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162714395 1043771563 /nfs/dbraw/zinc/77/15/63/1043771563.db2.gz XTKHSUBYHDNFJQ-UHFFFAOYSA-N 1 2 325.343 3.623 20 0 EHADLO CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637380762 1043901632 /nfs/dbraw/zinc/90/16/32/1043901632.db2.gz XYNYJEGNJSDZCX-QZTJIDSGSA-N 1 2 340.471 3.710 20 0 EHADLO O=C(NCCc1ccc(F)cc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000344404142 1043966450 /nfs/dbraw/zinc/96/64/50/1043966450.db2.gz QIYFYRHSUUMAFS-UHFFFAOYSA-N 1 2 343.789 3.637 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279541481 1044202368 /nfs/dbraw/zinc/20/23/68/1044202368.db2.gz OCEKSVCRNDUIFU-FYWRMAATSA-N 1 2 329.488 3.918 20 0 EHADLO Clc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001203424573 1044255373 /nfs/dbraw/zinc/25/53/73/1044255373.db2.gz VFUPCICGORGKMP-LBPRGKRZSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001203424573 1044255386 /nfs/dbraw/zinc/25/53/86/1044255386.db2.gz VFUPCICGORGKMP-LBPRGKRZSA-N 1 2 338.238 3.827 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Br)s2)s1 ZINC000344683886 1044286645 /nfs/dbraw/zinc/28/66/45/1044286645.db2.gz OJCZFEZOOTZYRW-UHFFFAOYSA-N 1 2 332.292 3.775 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cs1 ZINC000344715545 1044331347 /nfs/dbraw/zinc/33/13/47/1044331347.db2.gz XYCMZMUDGAFJSR-LBPRGKRZSA-N 1 2 332.469 3.854 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000279721834 1044462856 /nfs/dbraw/zinc/46/28/56/1044462856.db2.gz LWPFPEAKLUPMGM-OAHLLOKOSA-N 1 2 348.878 3.803 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000279721834 1044462866 /nfs/dbraw/zinc/46/28/66/1044462866.db2.gz LWPFPEAKLUPMGM-OAHLLOKOSA-N 1 2 348.878 3.803 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717750 1044465490 /nfs/dbraw/zinc/46/54/90/1044465490.db2.gz MAXXGMAUCPJSMI-MOPGFXCFSA-N 1 2 347.405 3.949 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717750 1044465495 /nfs/dbraw/zinc/46/54/95/1044465495.db2.gz MAXXGMAUCPJSMI-MOPGFXCFSA-N 1 2 347.405 3.949 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000344941487 1044721481 /nfs/dbraw/zinc/72/14/81/1044721481.db2.gz NZYQBNLMRDCJJU-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000279897644 1044818698 /nfs/dbraw/zinc/81/86/98/1044818698.db2.gz VRTZJVWVKPDMLM-RTBURBONSA-N 1 2 325.456 3.538 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000153607981 1125636231 /nfs/dbraw/zinc/63/62/31/1125636231.db2.gz MLDBUUKAEGCSPJ-GFCCVEGCSA-N 1 2 331.416 3.679 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000153607981 1125636234 /nfs/dbraw/zinc/63/62/34/1125636234.db2.gz MLDBUUKAEGCSPJ-GFCCVEGCSA-N 1 2 331.416 3.679 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000153759824 1125657213 /nfs/dbraw/zinc/65/72/13/1125657213.db2.gz HTQQBPSLRISVKX-DLBZAZTESA-N 1 2 325.456 3.764 20 0 EHADLO CC1(C)CCC(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000154411115 1125718011 /nfs/dbraw/zinc/71/80/11/1125718011.db2.gz BKDXIUATMIRGJS-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625128875 1129741462 /nfs/dbraw/zinc/74/14/62/1129741462.db2.gz BFCHXYJLSHFCOS-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625128875 1129741464 /nfs/dbraw/zinc/74/14/64/1129741464.db2.gz BFCHXYJLSHFCOS-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(C)(C)C ZINC000734444479 1131237002 /nfs/dbraw/zinc/23/70/02/1131237002.db2.gz CHUBWXWKVVPQIS-DOTOQJQBSA-N 1 2 334.529 3.575 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514204 1126741748 /nfs/dbraw/zinc/74/17/48/1126741748.db2.gz ZXACKQPUKKQCCC-ZFWWWQNUSA-N 1 2 343.471 3.552 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514204 1126741750 /nfs/dbraw/zinc/74/17/50/1126741750.db2.gz ZXACKQPUKKQCCC-ZFWWWQNUSA-N 1 2 343.471 3.552 20 0 EHADLO C[C@H]([NH2+]CCc1nccs1)c1cc(Br)cc(F)c1O ZINC000185248133 1126837287 /nfs/dbraw/zinc/83/72/87/1126837287.db2.gz LKYVYXDFFLJUBD-QMMMGPOBSA-N 1 2 345.237 3.644 20 0 EHADLO Cc1ccc(C(=O)CCCC(=O)NNc2cc[nH+]cc2Cl)cc1 ZINC000185256840 1126840735 /nfs/dbraw/zinc/84/07/35/1126840735.db2.gz OVGYZDADAWNHKZ-UHFFFAOYSA-N 1 2 331.803 3.540 20 0 EHADLO CC[N@H+](Cc1ccc(Br)cc1)Cc1c(N)ccnc1F ZINC001238161243 1126843763 /nfs/dbraw/zinc/84/37/63/1126843763.db2.gz CEXWYBHECMKCJT-UHFFFAOYSA-N 1 2 338.224 3.588 20 0 EHADLO CC[N@@H+](Cc1ccc(Br)cc1)Cc1c(N)ccnc1F ZINC001238161243 1126843766 /nfs/dbraw/zinc/84/37/66/1126843766.db2.gz CEXWYBHECMKCJT-UHFFFAOYSA-N 1 2 338.224 3.588 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000339665927 1126846963 /nfs/dbraw/zinc/84/69/63/1126846963.db2.gz OFQORJORJRLIQR-XIKOKIGWSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000339665927 1126846965 /nfs/dbraw/zinc/84/69/65/1126846965.db2.gz OFQORJORJRLIQR-XIKOKIGWSA-N 1 2 334.847 3.949 20 0 EHADLO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2nccs2)c1 ZINC000174407769 1126852711 /nfs/dbraw/zinc/85/27/11/1126852711.db2.gz RPJHLCZLMVQRFG-AWEZNQCLSA-N 1 2 338.860 3.644 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1[C@H](C)c1ccccc1 ZINC000072712399 1126864617 /nfs/dbraw/zinc/86/46/17/1126864617.db2.gz OEABGHQCYOVTQR-IAGOWNOFSA-N 1 2 342.483 3.600 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1[C@H](C)c1ccccc1 ZINC000072712399 1126864621 /nfs/dbraw/zinc/86/46/21/1126864621.db2.gz OEABGHQCYOVTQR-IAGOWNOFSA-N 1 2 342.483 3.600 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000623121495 1126881438 /nfs/dbraw/zinc/88/14/38/1126881438.db2.gz YYNYCNPUEFPDHO-MRXNPFEDSA-N 1 2 344.421 3.817 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000623121495 1126881442 /nfs/dbraw/zinc/88/14/42/1126881442.db2.gz YYNYCNPUEFPDHO-MRXNPFEDSA-N 1 2 344.421 3.817 20 0 EHADLO Cc1ccc(NC(=O)NCCC2CC(OC(C)(C)C)C2)c(N(C)C)[nH+]1 ZINC000763855270 1126884288 /nfs/dbraw/zinc/88/42/88/1126884288.db2.gz SFMMXSSYJWSJRC-UHFFFAOYSA-N 1 2 348.491 3.561 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000343859451 1126891575 /nfs/dbraw/zinc/89/15/75/1126891575.db2.gz QNJAFRZJUHUSAS-QRFRQXIXSA-N 1 2 337.467 3.754 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)c(F)c1 ZINC000623234622 1126901176 /nfs/dbraw/zinc/90/11/76/1126901176.db2.gz PWHZAMOTWXVODE-GTNSWQLSSA-N 1 2 332.806 3.843 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1OCc1ccccc1 ZINC000623266500 1126905620 /nfs/dbraw/zinc/90/56/20/1126905620.db2.gz VWNLNGDXYSTAKD-UHFFFAOYSA-N 1 2 349.434 3.559 20 0 EHADLO Cc1cc(NCc2csc(Br)c2)nc(C(C)C)[nH+]1 ZINC000345176045 1126938097 /nfs/dbraw/zinc/93/80/97/1126938097.db2.gz VSOHGNOUUUGQAE-UHFFFAOYSA-N 1 2 326.263 3.766 20 0 EHADLO Cc1nc(CC2CC2)oc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350030027 1127060711 /nfs/dbraw/zinc/06/07/11/1127060711.db2.gz ASWXMMWFMZRTNN-UHFFFAOYSA-N 1 2 349.394 3.532 20 0 EHADLO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000179925640 1127100852 /nfs/dbraw/zinc/10/08/52/1127100852.db2.gz BYZZKJXHBNZAEG-CRAIPNDOSA-N 1 2 348.487 3.668 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351436445 1127178130 /nfs/dbraw/zinc/17/81/30/1127178130.db2.gz VHZUTVBVVVENBT-CXAGYDPISA-N 1 2 338.411 3.547 20 0 EHADLO c1ccc2c(c1)CN(c1cc[nH+]c(N3CCC[C@@H]3c3cccnc3)n1)C2 ZINC000623820299 1127191488 /nfs/dbraw/zinc/19/14/88/1127191488.db2.gz RYCMFQMZOVMSCC-LJQANCHMSA-N 1 2 343.434 3.733 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)n1 ZINC000623978546 1127226941 /nfs/dbraw/zinc/22/69/41/1127226941.db2.gz XNEBSEVNPRTXHD-SNVBAGLBSA-N 1 2 331.363 3.638 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+][C@@H]1CCCc3scnc31)CCc1ccccc1-2 ZINC000624017251 1127233975 /nfs/dbraw/zinc/23/39/75/1127233975.db2.gz UUWHUEOHIHYHJW-HUUCEWRRSA-N 1 2 336.464 3.983 20 0 EHADLO CCc1ccc([C@@H]2COCCN2c2nc3ccccc3n3c[nH+]cc23)o1 ZINC000624023794 1127235460 /nfs/dbraw/zinc/23/54/60/1127235460.db2.gz KRRPSJJREBLZNQ-SFHVURJKSA-N 1 2 348.406 3.616 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nncn3-c3ccccc3)oc21 ZINC000181483158 1127278680 /nfs/dbraw/zinc/27/86/80/1127278680.db2.gz GXTBEDZPVWSPHD-CQSZACIVSA-N 1 2 348.406 3.873 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(Cl)cc1F ZINC000764010956 1127282236 /nfs/dbraw/zinc/28/22/36/1127282236.db2.gz YISZWCTWDNHCOR-CQSZACIVSA-N 1 2 341.789 3.659 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000181704902 1127289871 /nfs/dbraw/zinc/28/98/71/1127289871.db2.gz BMOOJVWYBCFVDO-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000181704902 1127289872 /nfs/dbraw/zinc/28/98/72/1127289872.db2.gz BMOOJVWYBCFVDO-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CN(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181887662 1127301133 /nfs/dbraw/zinc/30/11/33/1127301133.db2.gz TYBRKTXGCDBDIQ-KRWDZBQOSA-N 1 2 337.250 3.761 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H](c3ccncc3)C1)nc1ccccc12 ZINC000624252960 1127341872 /nfs/dbraw/zinc/34/18/72/1127341872.db2.gz PXYXEFVHKMFQLQ-INIZCTEOSA-N 1 2 329.407 3.662 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1cccc(-n2cccn2)c1 ZINC000183608717 1127382008 /nfs/dbraw/zinc/38/20/08/1127382008.db2.gz RBBKRUDETXQOGI-AWEZNQCLSA-N 1 2 337.427 3.764 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)s1 ZINC000183927141 1127389500 /nfs/dbraw/zinc/38/95/00/1127389500.db2.gz FMBCXRFXBHNQFB-JTQLQIEISA-N 1 2 339.411 3.582 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000184165791 1127396108 /nfs/dbraw/zinc/39/61/08/1127396108.db2.gz RMZUFBBJPRBWNU-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184463150 1127405208 /nfs/dbraw/zinc/40/52/08/1127405208.db2.gz AUSRQWASJVOKMS-AWEZNQCLSA-N 1 2 345.512 3.750 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184556028 1127408485 /nfs/dbraw/zinc/40/84/85/1127408485.db2.gz NGUZEAOGODHJCW-RHSMWYFYSA-N 1 2 344.455 3.709 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)cs1 ZINC000184681343 1127411154 /nfs/dbraw/zinc/41/11/54/1127411154.db2.gz CXCIIDDBQDPOCG-KBPBESRZSA-N 1 2 343.496 3.724 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@H](COC)c1ccc(C)o1)c1ccccc1 ZINC000184746168 1127412402 /nfs/dbraw/zinc/41/24/02/1127412402.db2.gz OFGVLACGOCOOCI-QZTJIDSGSA-N 1 2 344.455 3.523 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)s1 ZINC000184974705 1127417444 /nfs/dbraw/zinc/41/74/44/1127417444.db2.gz WQADPWKMBBRGFT-YOEHRIQHSA-N 1 2 331.485 3.616 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185040715 1127418595 /nfs/dbraw/zinc/41/85/95/1127418595.db2.gz UUWBYTPYOGPUTC-NVXWUHKLSA-N 1 2 331.485 3.697 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185447548 1127426218 /nfs/dbraw/zinc/42/62/18/1127426218.db2.gz OPHVRNHQXJYOPC-IBGZPJMESA-N 1 2 340.471 3.796 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000193776443 1127444579 /nfs/dbraw/zinc/44/45/79/1127444579.db2.gz YMLXFEZWMGMVKK-GFCCVEGCSA-N 1 2 346.500 3.599 20 0 EHADLO CCOCCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000764132824 1127448056 /nfs/dbraw/zinc/44/80/56/1127448056.db2.gz AQTULNJVYHLGMR-UHFFFAOYSA-N 1 2 342.439 3.903 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765032460 1127565074 /nfs/dbraw/zinc/56/50/74/1127565074.db2.gz VZZCYQIFCRWZQJ-OLZOCXBDSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765032460 1127565076 /nfs/dbraw/zinc/56/50/76/1127565076.db2.gz VZZCYQIFCRWZQJ-OLZOCXBDSA-N 1 2 334.464 3.928 20 0 EHADLO FC(F)C1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000765148821 1127579415 /nfs/dbraw/zinc/57/94/15/1127579415.db2.gz XSQUOFOKOVLUOY-UHFFFAOYSA-N 1 2 344.475 3.624 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2[nH+]1 ZINC000010896298 1127634220 /nfs/dbraw/zinc/63/42/20/1127634220.db2.gz AUJAVBIHXMNPJS-UHFFFAOYSA-N 1 2 349.419 3.571 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000015296307 1127651979 /nfs/dbraw/zinc/65/19/79/1127651979.db2.gz MJQMDZWMNNDINS-INIZCTEOSA-N 1 2 340.467 3.567 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000015296307 1127651981 /nfs/dbraw/zinc/65/19/81/1127651981.db2.gz MJQMDZWMNNDINS-INIZCTEOSA-N 1 2 340.467 3.567 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1Cl ZINC000015295705 1127651994 /nfs/dbraw/zinc/65/19/94/1127651994.db2.gz VJRGMGUOSUONCS-UHFFFAOYSA-N 1 2 334.822 3.617 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1Cl ZINC000015295705 1127651997 /nfs/dbraw/zinc/65/19/97/1127651997.db2.gz VJRGMGUOSUONCS-UHFFFAOYSA-N 1 2 334.822 3.617 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015572002 1127655575 /nfs/dbraw/zinc/65/55/75/1127655575.db2.gz HSELUROSFLUFJB-INIZCTEOSA-N 1 2 334.510 3.672 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015572002 1127655579 /nfs/dbraw/zinc/65/55/79/1127655579.db2.gz HSELUROSFLUFJB-INIZCTEOSA-N 1 2 334.510 3.672 20 0 EHADLO CSc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000020544236 1127679105 /nfs/dbraw/zinc/67/91/05/1127679105.db2.gz OPQXIUMVJDARQR-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H]1C ZINC001127940659 1127740304 /nfs/dbraw/zinc/74/03/04/1127740304.db2.gz FVWAGYHCBFHAQJ-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO CC(C)([NH2+]Cc1cc(-c2ccccc2)on1)C(=O)Nc1ccccc1 ZINC000671626198 1127754066 /nfs/dbraw/zinc/75/40/66/1127754066.db2.gz TTWVLVYAWUROLY-UHFFFAOYSA-N 1 2 335.407 3.849 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCOC2=O)cc1 ZINC000921600942 1127758877 /nfs/dbraw/zinc/75/88/77/1127758877.db2.gz QGUYNDMPQIQYIR-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+][C@H]3CSCc4ccccc43)cs2)n1 ZINC000921612576 1127762909 /nfs/dbraw/zinc/76/29/09/1127762909.db2.gz MAOTXIXDOMRZPT-INIZCTEOSA-N 1 2 342.493 3.621 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001626039687 1127768305 /nfs/dbraw/zinc/76/83/05/1127768305.db2.gz ZYUQYKUJODDTRY-QGZVFWFLSA-N 1 2 339.826 3.706 20 0 EHADLO c1ccc2c(c1)oc1c2ncnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029147415 1127795289 /nfs/dbraw/zinc/79/52/89/1127795289.db2.gz LOJNKEDLADOTRT-UHFFFAOYSA-N 1 2 345.406 3.983 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000671667926 1127796393 /nfs/dbraw/zinc/79/63/93/1127796393.db2.gz GOXPCMDOBDDESC-LSTHTHJFSA-N 1 2 326.484 3.725 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cccc(F)c3F)CC2)c1 ZINC000029850582 1127809677 /nfs/dbraw/zinc/80/96/77/1127809677.db2.gz SXMNDTGOHQMXQM-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cccc(F)c3F)CC2)c1 ZINC000029850582 1127809680 /nfs/dbraw/zinc/80/96/80/1127809680.db2.gz SXMNDTGOHQMXQM-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000029921206 1127810875 /nfs/dbraw/zinc/81/08/75/1127810875.db2.gz FSEXAPXQBYGGTF-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000030219021 1127816219 /nfs/dbraw/zinc/81/62/19/1127816219.db2.gz SXCNBZLCNQAPAN-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO Cc1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)ccc1F ZINC000045699620 1127957461 /nfs/dbraw/zinc/95/74/61/1127957461.db2.gz IMUUOWMTOVYIKC-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000046019632 1127966441 /nfs/dbraw/zinc/96/64/41/1127966441.db2.gz HDOQDMCEZPNVQT-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO CCCCOc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c(Cl)c1 ZINC000802230310 1128006566 /nfs/dbraw/zinc/00/65/66/1128006566.db2.gz CGUBLHPNNFPRKZ-CQSZACIVSA-N 1 2 343.826 3.720 20 0 EHADLO CCCCOc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c(Cl)c1 ZINC000802230310 1128006570 /nfs/dbraw/zinc/00/65/70/1128006570.db2.gz CGUBLHPNNFPRKZ-CQSZACIVSA-N 1 2 343.826 3.720 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c[nH+]1 ZINC000282172035 1128027749 /nfs/dbraw/zinc/02/77/49/1128027749.db2.gz YRVKKVXGYIMLKD-UHFFFAOYSA-N 1 2 349.460 3.563 20 0 EHADLO Clc1ccc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2n1 ZINC001212364882 1128030397 /nfs/dbraw/zinc/03/03/97/1128030397.db2.gz XSXNBMHRVTUVKK-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000056990990 1128033587 /nfs/dbraw/zinc/03/35/87/1128033587.db2.gz DRGZPTIUJCBNMY-HXUWFJFHSA-N 1 2 349.409 3.859 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000057372951 1128045597 /nfs/dbraw/zinc/04/55/97/1128045597.db2.gz NIUDIUAUJXOCSK-SFHVURJKSA-N 1 2 326.444 3.518 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000347542812 1128063464 /nfs/dbraw/zinc/06/34/64/1128063464.db2.gz MOUXIYKBBBBIBI-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO CCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000060442218 1128101588 /nfs/dbraw/zinc/10/15/88/1128101588.db2.gz KJTHNCNUSOVPLP-UHFFFAOYSA-N 1 2 329.444 3.501 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347577852 1128115977 /nfs/dbraw/zinc/11/59/77/1128115977.db2.gz HJHMZIMHWXMBCL-JKSUJKDBSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1noc(C)c1C[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347577852 1128115979 /nfs/dbraw/zinc/11/59/79/1128115979.db2.gz HJHMZIMHWXMBCL-JKSUJKDBSA-N 1 2 327.472 3.640 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)NCCNc2cccc[nH+]2)ccc1C(C)C ZINC000063704509 1128152791 /nfs/dbraw/zinc/15/27/91/1128152791.db2.gz LOZZNKMGNXWNFR-MRXNPFEDSA-N 1 2 341.455 3.509 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000064432171 1128168346 /nfs/dbraw/zinc/16/83/46/1128168346.db2.gz CXRHRXPHMMXYSP-LJQANCHMSA-N 1 2 345.826 3.685 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000064432171 1128168348 /nfs/dbraw/zinc/16/83/48/1128168348.db2.gz CXRHRXPHMMXYSP-LJQANCHMSA-N 1 2 345.826 3.685 20 0 EHADLO c1coc(-c2nc(C[N@@H+]3CCCN(c4nccs4)CC3)cs2)c1 ZINC000064518795 1128169200 /nfs/dbraw/zinc/16/92/00/1128169200.db2.gz WQMRIUGFYIELSX-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO c1coc(-c2nc(C[N@H+]3CCCN(c4nccs4)CC3)cs2)c1 ZINC000064518795 1128169203 /nfs/dbraw/zinc/16/92/03/1128169203.db2.gz WQMRIUGFYIELSX-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO CCCCOc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000065452422 1128190741 /nfs/dbraw/zinc/19/07/41/1128190741.db2.gz MWOIBGZGULVJKB-UHFFFAOYSA-N 1 2 342.443 3.884 20 0 EHADLO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H](C)C(C)C ZINC000067697240 1128247824 /nfs/dbraw/zinc/24/78/24/1128247824.db2.gz XWFWVJXVKIFMJX-MRXNPFEDSA-N 1 2 328.460 3.507 20 0 EHADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000067716183 1128247848 /nfs/dbraw/zinc/24/78/48/1128247848.db2.gz SFVJKDWLRUVXON-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000067716183 1128247850 /nfs/dbraw/zinc/24/78/50/1128247850.db2.gz SFVJKDWLRUVXON-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO CC(C)(CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000067142928 1128235189 /nfs/dbraw/zinc/23/51/89/1128235189.db2.gz RBTMQJJYLLNVFJ-UHFFFAOYSA-N 1 2 347.462 3.916 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477117 1128268046 /nfs/dbraw/zinc/26/80/46/1128268046.db2.gz JGRPMFCOXXNDCK-RYUDHWBXSA-N 1 2 335.835 3.950 20 0 EHADLO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccccc2)C(C)C)s1 ZINC000067461431 1128241429 /nfs/dbraw/zinc/24/14/29/1128241429.db2.gz XBMUMRDMVCSWJH-UHFFFAOYSA-N 1 2 337.510 3.741 20 0 EHADLO Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccccc2)C(C)C)s1 ZINC000067461431 1128241431 /nfs/dbraw/zinc/24/14/31/1128241431.db2.gz XBMUMRDMVCSWJH-UHFFFAOYSA-N 1 2 337.510 3.741 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477117 1128268047 /nfs/dbraw/zinc/26/80/47/1128268047.db2.gz JGRPMFCOXXNDCK-RYUDHWBXSA-N 1 2 335.835 3.950 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000069631390 1128289175 /nfs/dbraw/zinc/28/91/75/1128289175.db2.gz MUWOSCNYJOHBJF-QXAKKESOSA-N 1 2 340.471 3.639 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069265414 1128284884 /nfs/dbraw/zinc/28/48/84/1128284884.db2.gz LDQGWUITUMFDOJ-FUHWJXTLSA-N 1 2 346.519 3.666 20 0 EHADLO Cc1nc2cc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)ccc2n1C ZINC000072539533 1128300629 /nfs/dbraw/zinc/30/06/29/1128300629.db2.gz YSMNLRRXXLGGBV-UHFFFAOYSA-N 1 2 345.406 3.628 20 0 EHADLO CC(C)([NH2+]Cc1cnn2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000072923927 1128309916 /nfs/dbraw/zinc/30/99/16/1128309916.db2.gz JPEGWZRRZKQLPU-UHFFFAOYSA-N 1 2 340.374 3.835 20 0 EHADLO COCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000073016147 1128313542 /nfs/dbraw/zinc/31/35/42/1128313542.db2.gz DMPZJTUDLPPDKE-HNNXBMFYSA-N 1 2 346.500 3.553 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1C2CC3CC(C2)CC1C3 ZINC000073171710 1128318174 /nfs/dbraw/zinc/31/81/74/1128318174.db2.gz KSFGZLQTZOVHLG-UHFFFAOYSA-N 1 2 349.478 3.620 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2CC=CC2)c(C)c1 ZINC000624540708 1128389812 /nfs/dbraw/zinc/38/98/12/1128389812.db2.gz RUFQHQZTWUBWTO-IBGZPJMESA-N 1 2 338.455 3.507 20 0 EHADLO Cc1cc([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)ccc1N1CCOCC1 ZINC000765809544 1128420985 /nfs/dbraw/zinc/42/09/85/1128420985.db2.gz KRPRQYTYCGVFEK-OALUTQOASA-N 1 2 332.488 3.836 20 0 EHADLO CCCn1cc([C@@H](C)[NH2+]Cc2ccccc2N2CCCCC2)nn1 ZINC000902942836 1128439991 /nfs/dbraw/zinc/43/99/91/1128439991.db2.gz VEDOOJZPDVYLFZ-MRXNPFEDSA-N 1 2 327.476 3.529 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)cc2)[nH+]c1C ZINC000921661973 1128441013 /nfs/dbraw/zinc/44/10/13/1128441013.db2.gz KFPBPKASHLAXEY-DIFFPNOSSA-N 1 2 325.412 3.637 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)F)cc1 ZINC000338671543 1128442160 /nfs/dbraw/zinc/44/21/60/1128442160.db2.gz FSUNMRZBZCKYCU-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cscc3Br)cn2c1 ZINC000352772108 1128445687 /nfs/dbraw/zinc/44/56/87/1128445687.db2.gz PPZGZSQYFLNANN-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921671652 1128452148 /nfs/dbraw/zinc/45/21/48/1128452148.db2.gz YHRLKKTYYNCILQ-OHTSDLOESA-N 1 2 339.439 3.837 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)c1C ZINC000347628321 1128450893 /nfs/dbraw/zinc/45/08/93/1128450893.db2.gz IOAPEXOGDCFANN-UHFFFAOYSA-N 1 2 331.435 3.616 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCc3cc(OC)c(F)cc3C2)c1C ZINC000347628321 1128450896 /nfs/dbraw/zinc/45/08/96/1128450896.db2.gz IOAPEXOGDCFANN-UHFFFAOYSA-N 1 2 331.435 3.616 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)c(C)c1OC ZINC000347629975 1128457391 /nfs/dbraw/zinc/45/73/91/1128457391.db2.gz AQBGHVNSOHLMHI-QWHCGFSZSA-N 1 2 333.432 3.930 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155742897 1128468511 /nfs/dbraw/zinc/46/85/11/1128468511.db2.gz HJDKNXYMRTZDJH-RYUDHWBXSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155742897 1128468513 /nfs/dbraw/zinc/46/85/13/1128468513.db2.gz HJDKNXYMRTZDJH-RYUDHWBXSA-N 1 2 334.407 3.941 20 0 EHADLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347649249 1128512751 /nfs/dbraw/zinc/51/27/51/1128512751.db2.gz IGKDBZAZQYLIPY-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)ccc1Cl ZINC000056531076 1128563042 /nfs/dbraw/zinc/56/30/42/1128563042.db2.gz DQTAFYCHFMEQLB-UHFFFAOYSA-N 1 2 327.215 3.792 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000465738205 1128608064 /nfs/dbraw/zinc/60/80/64/1128608064.db2.gz OYJUDSTTYGQONU-HXUWFJFHSA-N 1 2 340.471 3.984 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465740468 1128611545 /nfs/dbraw/zinc/61/15/45/1128611545.db2.gz MRPMTAJMTJKDDP-WMZOPIPTSA-N 1 2 340.471 3.983 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000353790825 1128654350 /nfs/dbraw/zinc/65/43/50/1128654350.db2.gz JLWYSOLTCJAMFA-KRWDZBQOSA-N 1 2 343.477 3.640 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000353790825 1128654352 /nfs/dbraw/zinc/65/43/52/1128654352.db2.gz JLWYSOLTCJAMFA-KRWDZBQOSA-N 1 2 343.477 3.640 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@H]1CCCc2cccnc21 ZINC001168655491 1128679072 /nfs/dbraw/zinc/67/90/72/1128679072.db2.gz GNDPSUDBTFYAAM-INIZCTEOSA-N 1 2 339.439 3.850 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000303835404 1128700837 /nfs/dbraw/zinc/70/08/37/1128700837.db2.gz CEFKXFASAYCIPD-MJGOQNOKSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@@]1(CNc2cc(N3CCSCC3)nc[nH+]2)C[C@H]1c1ccccc1 ZINC000338734268 1128784325 /nfs/dbraw/zinc/78/43/25/1128784325.db2.gz AJDNZRHBFDGLPM-LPHOPBHVSA-N 1 2 340.496 3.636 20 0 EHADLO C[C@@]1(CNc2cc(N3CCSCC3)[nH+]cn2)C[C@H]1c1ccccc1 ZINC000338734268 1128784330 /nfs/dbraw/zinc/78/43/30/1128784330.db2.gz AJDNZRHBFDGLPM-LPHOPBHVSA-N 1 2 340.496 3.636 20 0 EHADLO CC(C)(C)c1nc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cs1 ZINC000338754268 1128865231 /nfs/dbraw/zinc/86/52/31/1128865231.db2.gz XGHLTKZWRONGAK-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO CC(C)C[C@H](C)CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000075629916 1128872542 /nfs/dbraw/zinc/87/25/42/1128872542.db2.gz KQCXAXRXCBLHKC-KRWDZBQOSA-N 1 2 327.472 3.662 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cs1 ZINC000111406770 1120018084 /nfs/dbraw/zinc/01/80/84/1120018084.db2.gz FMLJZXFNXMEWDW-NSHDSACASA-N 1 2 336.457 3.582 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3CCCC3(F)F)ccc21 ZINC001670370699 1120042058 /nfs/dbraw/zinc/04/20/58/1120042058.db2.gz FDCPWMKBDOXLCQ-AWEZNQCLSA-N 1 2 334.370 3.610 20 0 EHADLO CC1(C)CC(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC(C)(C)C1 ZINC001670377597 1120066009 /nfs/dbraw/zinc/06/60/09/1120066009.db2.gz RAQWGNMRLKIVFO-UHFFFAOYSA-N 1 2 342.487 3.986 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110038526 1120132399 /nfs/dbraw/zinc/13/23/99/1120132399.db2.gz AHXYCNWRUJUOBV-KRWDZBQOSA-N 1 2 329.831 3.728 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110038526 1120132402 /nfs/dbraw/zinc/13/24/02/1120132402.db2.gz AHXYCNWRUJUOBV-KRWDZBQOSA-N 1 2 329.831 3.728 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110039634 1120132476 /nfs/dbraw/zinc/13/24/76/1120132476.db2.gz VPJCIAYXTHGABU-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110039634 1120132477 /nfs/dbraw/zinc/13/24/77/1120132477.db2.gz VPJCIAYXTHGABU-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO CC1(C)C[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000226751514 1120187231 /nfs/dbraw/zinc/18/72/31/1120187231.db2.gz NAHWHCWKACWXBY-JTQLQIEISA-N 1 2 349.066 3.805 20 0 EHADLO Clc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001648924717 1120204265 /nfs/dbraw/zinc/20/42/65/1120204265.db2.gz OUZIJDXXTQXAHW-QGZVFWFLSA-N 1 2 340.814 3.534 20 0 EHADLO COc1ccccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000652065431 1120224332 /nfs/dbraw/zinc/22/43/32/1120224332.db2.gz IAPLACSHGQFTJE-SHTZXODSSA-N 1 2 340.427 3.635 20 0 EHADLO Cc1cc(N)nc(SCc2cc(-c3ccc(Cl)cc3)no2)[nH+]1 ZINC000054832540 1120310020 /nfs/dbraw/zinc/31/00/20/1120310020.db2.gz XGGWOQYPBOMFMP-UHFFFAOYSA-N 1 2 332.816 3.968 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000355318065 1128911102 /nfs/dbraw/zinc/91/11/02/1128911102.db2.gz NDESJJGFQKCUPY-UONOGXRCSA-N 1 2 345.409 3.663 20 0 EHADLO c1ccc([C@H]2OCCC[C@@H]2CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302917859 1120396000 /nfs/dbraw/zinc/39/60/00/1120396000.db2.gz XJFJUCSFCQYMEV-YLJYHZDGSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@H]2OCCC[C@@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302917859 1120396007 /nfs/dbraw/zinc/39/60/07/1120396007.db2.gz XJFJUCSFCQYMEV-YLJYHZDGSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@@H]2OCCC[C@@H]2CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302917858 1120396162 /nfs/dbraw/zinc/39/61/62/1120396162.db2.gz XJFJUCSFCQYMEV-XLIONFOSSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@@H]2OCCC[C@@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302917858 1120396168 /nfs/dbraw/zinc/39/61/68/1120396168.db2.gz XJFJUCSFCQYMEV-XLIONFOSSA-N 1 2 338.455 3.657 20 0 EHADLO COCC1=CC[N@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC000185821617 1120430018 /nfs/dbraw/zinc/43/00/18/1120430018.db2.gz PSMKDMLIHGBMMM-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC000185821617 1120430022 /nfs/dbraw/zinc/43/00/22/1120430022.db2.gz PSMKDMLIHGBMMM-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186431517 1120461000 /nfs/dbraw/zinc/46/10/00/1120461000.db2.gz GFIXDFPCXPJBBU-HOTGVXAUSA-N 1 2 336.439 3.666 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186569368 1120466085 /nfs/dbraw/zinc/46/60/85/1120466085.db2.gz BFNWQRBRQPIZDC-NQIIRXRSSA-N 1 2 343.515 3.829 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000076402384 1128918849 /nfs/dbraw/zinc/91/88/49/1128918849.db2.gz MIFNWMOOPWVKKX-QGZVFWFLSA-N 1 2 332.469 3.723 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000076402384 1128918852 /nfs/dbraw/zinc/91/88/52/1128918852.db2.gz MIFNWMOOPWVKKX-QGZVFWFLSA-N 1 2 332.469 3.723 20 0 EHADLO OCC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000494286133 1120526382 /nfs/dbraw/zinc/52/63/82/1120526382.db2.gz WTFFGLTXMNTVJN-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000494286133 1120526386 /nfs/dbraw/zinc/52/63/86/1120526386.db2.gz WTFFGLTXMNTVJN-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@H+](Cc1cc(-c2cccs2)on1)Cc1cccc(F)c1 ZINC000494280497 1120526559 /nfs/dbraw/zinc/52/65/59/1120526559.db2.gz WBTMIWVWQUPLSH-UHFFFAOYSA-N 1 2 332.400 3.537 20 0 EHADLO OCC[N@@H+](Cc1cc(-c2cccs2)on1)Cc1cccc(F)c1 ZINC000494280497 1120526561 /nfs/dbraw/zinc/52/65/61/1120526561.db2.gz WBTMIWVWQUPLSH-UHFFFAOYSA-N 1 2 332.400 3.537 20 0 EHADLO C[C@H](NC(=O)N1CCCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470836 1128922625 /nfs/dbraw/zinc/92/26/25/1128922625.db2.gz VFBXUGVPHUABQO-HOTGVXAUSA-N 1 2 326.444 3.907 20 0 EHADLO C[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000494489785 1120571326 /nfs/dbraw/zinc/57/13/26/1120571326.db2.gz BHAKTKCHBXZVDZ-OAHLLOKOSA-N 1 2 344.418 3.897 20 0 EHADLO C[C@]([NH2+]Cc1ccc(F)c(Cl)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000189706578 1120606973 /nfs/dbraw/zinc/60/69/73/1120606973.db2.gz PRIYYHGABYQUHP-MRXNPFEDSA-N 1 2 341.213 3.623 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190194433 1120629140 /nfs/dbraw/zinc/62/91/40/1120629140.db2.gz ZRIUOMUQASQLTL-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190194433 1120629142 /nfs/dbraw/zinc/62/91/42/1120629142.db2.gz ZRIUOMUQASQLTL-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO CC(C)n1ccnc1C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190365029 1120635346 /nfs/dbraw/zinc/63/53/46/1120635346.db2.gz CRMRHTXYBOBWHZ-UHFFFAOYSA-N 1 2 341.377 3.994 20 0 EHADLO CC(C)n1ccnc1C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190365029 1120635350 /nfs/dbraw/zinc/63/53/50/1120635350.db2.gz CRMRHTXYBOBWHZ-UHFFFAOYSA-N 1 2 341.377 3.994 20 0 EHADLO Cc1cccn2c(CN3CC4(CCOCC4)c4ccccc43)c[nH+]c12 ZINC000191618784 1120682324 /nfs/dbraw/zinc/68/23/24/1120682324.db2.gz XHGRDJSROPTKIO-UHFFFAOYSA-N 1 2 333.435 3.711 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000224594551 1120684336 /nfs/dbraw/zinc/68/43/36/1120684336.db2.gz GHBLWQBQUACJOO-JTQLQIEISA-N 1 2 349.232 3.658 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000191673800 1120685810 /nfs/dbraw/zinc/68/58/10/1120685810.db2.gz QKRBBTKCNCYSTH-BMFZPTHFSA-N 1 2 334.485 3.574 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000191673800 1120685814 /nfs/dbraw/zinc/68/58/14/1120685814.db2.gz QKRBBTKCNCYSTH-BMFZPTHFSA-N 1 2 334.485 3.574 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000494622322 1120702107 /nfs/dbraw/zinc/70/21/07/1120702107.db2.gz ASKSVFTWQKGOKK-CYBMUJFWSA-N 1 2 349.843 3.583 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)CCS1 ZINC000192188321 1120723827 /nfs/dbraw/zinc/72/38/27/1120723827.db2.gz FLTYUDFNSUANPW-JTQLQIEISA-N 1 2 340.290 3.653 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)CCS1 ZINC000192188321 1120723830 /nfs/dbraw/zinc/72/38/30/1120723830.db2.gz FLTYUDFNSUANPW-JTQLQIEISA-N 1 2 340.290 3.653 20 0 EHADLO Cc1cccc(Oc2ccccc2NC(=O)NCCn2cc[nH+]c2)c1 ZINC000192658422 1120742312 /nfs/dbraw/zinc/74/23/12/1120742312.db2.gz PCIFSPIHLBHGOW-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000195380879 1120780620 /nfs/dbraw/zinc/78/06/20/1120780620.db2.gz QZBUUMBHGDHWAR-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000914464564 1120785223 /nfs/dbraw/zinc/78/52/23/1120785223.db2.gz HAUGICVHYJBZNZ-CYBMUJFWSA-N 1 2 341.546 3.847 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000914464564 1120785227 /nfs/dbraw/zinc/78/52/27/1120785227.db2.gz HAUGICVHYJBZNZ-CYBMUJFWSA-N 1 2 341.546 3.847 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000195518713 1120789743 /nfs/dbraw/zinc/78/97/43/1120789743.db2.gz UYCFTOILFQPHQI-MRXNPFEDSA-N 1 2 342.487 3.701 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000195518713 1120789745 /nfs/dbraw/zinc/78/97/45/1120789745.db2.gz UYCFTOILFQPHQI-MRXNPFEDSA-N 1 2 342.487 3.701 20 0 EHADLO CC1(C)OCCC12CC[NH+](Cc1nc(Br)cs1)CC2 ZINC001137782991 1120819273 /nfs/dbraw/zinc/81/92/73/1120819273.db2.gz CBZDENQZLWLUFN-UHFFFAOYSA-N 1 2 345.306 3.687 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194056753 1120819347 /nfs/dbraw/zinc/81/93/47/1120819347.db2.gz XJGPIWFNKQVWBN-VQIMIIECSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccccc1Oc1cccc(F)c1 ZINC000194358333 1120838076 /nfs/dbraw/zinc/83/80/76/1120838076.db2.gz KLPGVXCSBSINFG-UHFFFAOYSA-N 1 2 340.358 3.636 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000542519740 1120892335 /nfs/dbraw/zinc/89/23/35/1120892335.db2.gz JLWYOGBQSWUIKX-FXAWDEMLSA-N 1 2 345.870 3.707 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000542519740 1120892337 /nfs/dbraw/zinc/89/23/37/1120892337.db2.gz JLWYOGBQSWUIKX-FXAWDEMLSA-N 1 2 345.870 3.707 20 0 EHADLO CC(C)(C)Cc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001127309970 1120900962 /nfs/dbraw/zinc/90/09/62/1120900962.db2.gz LFCMOHUYPWXTIM-QGZVFWFLSA-N 1 2 337.467 3.679 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000494998777 1120925655 /nfs/dbraw/zinc/92/56/55/1120925655.db2.gz PZSMBRLZNUUFMU-HYVNUMGLSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000494998777 1120925658 /nfs/dbraw/zinc/92/56/58/1120925658.db2.gz PZSMBRLZNUUFMU-HYVNUMGLSA-N 1 2 339.863 3.507 20 0 EHADLO CSCc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000921947896 1128961786 /nfs/dbraw/zinc/96/17/86/1128961786.db2.gz UREPTURRZQAHBN-UHFFFAOYSA-N 1 2 334.510 3.782 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000303460766 1121150200 /nfs/dbraw/zinc/15/02/00/1121150200.db2.gz HESPWMKEXDJKFB-KRWDZBQOSA-N 1 2 346.833 3.874 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000303460766 1121150202 /nfs/dbraw/zinc/15/02/02/1121150202.db2.gz HESPWMKEXDJKFB-KRWDZBQOSA-N 1 2 346.833 3.874 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000303634778 1121167844 /nfs/dbraw/zinc/16/78/44/1121167844.db2.gz PJURXIMRIYFSGB-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000303634778 1121167847 /nfs/dbraw/zinc/16/78/47/1121167847.db2.gz PJURXIMRIYFSGB-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(F)c1)[C@H]2C ZINC001168487743 1121176338 /nfs/dbraw/zinc/17/63/38/1121176338.db2.gz QLVDGPZJXXWWJR-GJZGRUSLSA-N 1 2 331.435 3.567 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(F)c1)[C@H]2C ZINC001168487743 1121176342 /nfs/dbraw/zinc/17/63/42/1121176342.db2.gz QLVDGPZJXXWWJR-GJZGRUSLSA-N 1 2 331.435 3.567 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209369 1121253007 /nfs/dbraw/zinc/25/30/07/1121253007.db2.gz OLBLMUDILXONPB-AWEZNQCLSA-N 1 2 333.505 3.820 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209369 1121253015 /nfs/dbraw/zinc/25/30/15/1121253015.db2.gz OLBLMUDILXONPB-AWEZNQCLSA-N 1 2 333.505 3.820 20 0 EHADLO COc1ccc2cc(/C=C\c3nc(Cc4c[nH+]cn4C)no3)ccc2c1 ZINC000762412170 1121288998 /nfs/dbraw/zinc/28/89/98/1121288998.db2.gz SJKQIDGDHRNPNT-YWEYNIOJSA-N 1 2 346.390 3.726 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(C)cnc1Cl)c1ccc(F)c(F)c1 ZINC000921963402 1128980316 /nfs/dbraw/zinc/98/03/16/1128980316.db2.gz BHJLHUFRZITWPW-HNNXBMFYSA-N 1 2 326.774 3.799 20 0 EHADLO O=C(Nc1ccc(Cl)cc1OC(F)F)c1cccc2[nH+]ccn21 ZINC000762525313 1121339081 /nfs/dbraw/zinc/33/90/81/1121339081.db2.gz QUIZUVHHMIEIEJ-UHFFFAOYSA-N 1 2 337.713 3.841 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000749937728 1121368215 /nfs/dbraw/zinc/36/82/15/1121368215.db2.gz OYCNNDJHAAAEBV-LBPRGKRZSA-N 1 2 328.359 3.723 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000749937728 1121368223 /nfs/dbraw/zinc/36/82/23/1121368223.db2.gz OYCNNDJHAAAEBV-LBPRGKRZSA-N 1 2 328.359 3.723 20 0 EHADLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(OC)cc1Cl ZINC000237309533 1121479663 /nfs/dbraw/zinc/47/96/63/1121479663.db2.gz SPQICJJAEOTWQC-UHFFFAOYSA-N 1 2 347.846 3.833 20 0 EHADLO Fc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1OC(F)F ZINC000237897944 1121497852 /nfs/dbraw/zinc/49/78/52/1121497852.db2.gz PYENTGRJTZVJIL-UHFFFAOYSA-N 1 2 337.345 3.903 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)cn1 ZINC000542573339 1121501339 /nfs/dbraw/zinc/50/13/39/1121501339.db2.gz HVGVJMWWRSNENZ-VXGBXAGGSA-N 1 2 331.445 3.987 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000921982327 1128997016 /nfs/dbraw/zinc/99/70/16/1128997016.db2.gz GGYKVTKGUSYEQI-QGZVFWFLSA-N 1 2 344.434 3.708 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000041284010 1121702109 /nfs/dbraw/zinc/70/21/09/1121702109.db2.gz PEYQSMYRBGRBTE-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO COCC[N@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000054356180 1121754663 /nfs/dbraw/zinc/75/46/63/1121754663.db2.gz ODWCYWGNRVYSQV-UHFFFAOYSA-N 1 2 330.375 3.907 20 0 EHADLO COCC[N@@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000054356180 1121754670 /nfs/dbraw/zinc/75/46/70/1121754670.db2.gz ODWCYWGNRVYSQV-UHFFFAOYSA-N 1 2 330.375 3.907 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000054370397 1121756581 /nfs/dbraw/zinc/75/65/81/1121756581.db2.gz KDWBCYJZSPLNHW-UHFFFAOYSA-N 1 2 342.508 3.642 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000763332349 1121962225 /nfs/dbraw/zinc/96/22/25/1121962225.db2.gz KZOUKOXJMIXPNY-CQSZACIVSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000763332349 1121962233 /nfs/dbraw/zinc/96/22/33/1121962233.db2.gz KZOUKOXJMIXPNY-CQSZACIVSA-N 1 2 348.903 3.961 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444186973 1121966635 /nfs/dbraw/zinc/96/66/35/1121966635.db2.gz UAWPJFJOTYXARE-ZACQAIPSSA-N 1 2 332.492 3.526 20 0 EHADLO Fc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000326671779 1121974410 /nfs/dbraw/zinc/97/44/10/1121974410.db2.gz JMQLJLGJNKEOMZ-UHFFFAOYSA-N 1 2 333.370 3.609 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)c1ccccc1Br ZINC000036969069 1121993309 /nfs/dbraw/zinc/99/33/09/1121993309.db2.gz AKJSREXFXZDZGN-NEPJUHHUSA-N 1 2 345.244 3.904 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000347680307 1129030662 /nfs/dbraw/zinc/03/06/62/1129030662.db2.gz APVAMQSGTMBWSR-UHFFFAOYSA-N 1 2 347.821 3.634 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668811 1129040672 /nfs/dbraw/zinc/04/06/72/1129040672.db2.gz YDJUJLYIGIHCMD-MRXNPFEDSA-N 1 2 338.411 3.958 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C)cc1OC)c1ccccc1 ZINC000124558921 1122288351 /nfs/dbraw/zinc/28/83/51/1122288351.db2.gz ZTDJGCGTQLCBQC-HXUWFJFHSA-N 1 2 340.467 3.703 20 0 EHADLO CCCOc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000125306829 1122312388 /nfs/dbraw/zinc/31/23/88/1122312388.db2.gz TXYXCNSGLYWJKH-UHFFFAOYSA-N 1 2 342.443 3.884 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)ccc1O ZINC000125975666 1122371624 /nfs/dbraw/zinc/37/16/24/1122371624.db2.gz YHQLXXBVZDIASW-LBPRGKRZSA-N 1 2 332.469 3.614 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)C[C@@H](C)CC3)ccc1O ZINC000125975666 1122371630 /nfs/dbraw/zinc/37/16/30/1122371630.db2.gz YHQLXXBVZDIASW-LBPRGKRZSA-N 1 2 332.469 3.614 20 0 EHADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ncc(C3CC3)o1)CC2 ZINC000497208423 1122373830 /nfs/dbraw/zinc/37/38/30/1122373830.db2.gz KEPSSSRLJIEWFT-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)c1ncc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)s1 ZINC000127318827 1122477115 /nfs/dbraw/zinc/47/71/15/1122477115.db2.gz YKMCZOKEMCNBFN-UHFFFAOYSA-N 1 2 329.513 3.974 20 0 EHADLO CC(C)c1ncc(C[N@H+]2CCCN(Cc3ccccc3)CC2)s1 ZINC000127318827 1122477117 /nfs/dbraw/zinc/47/71/17/1122477117.db2.gz YKMCZOKEMCNBFN-UHFFFAOYSA-N 1 2 329.513 3.974 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc2n1 ZINC000127433736 1122484608 /nfs/dbraw/zinc/48/46/08/1122484608.db2.gz XSZMYNJREMGQKH-HXUWFJFHSA-N 1 2 344.418 3.846 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127859703 1122511873 /nfs/dbraw/zinc/51/18/73/1122511873.db2.gz WGARIBISQRXWJT-MRXNPFEDSA-N 1 2 329.350 3.890 20 0 EHADLO CC[N@H+](Cc1ccccc1Oc1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000497483827 1122562842 /nfs/dbraw/zinc/56/28/42/1122562842.db2.gz UTGLTZYDRXILTG-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO CC[N@@H+](Cc1ccccc1Oc1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000497483827 1122562845 /nfs/dbraw/zinc/56/28/45/1122562845.db2.gz UTGLTZYDRXILTG-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)o1 ZINC000128406685 1122587391 /nfs/dbraw/zinc/58/73/91/1122587391.db2.gz REGWWVFWZXMOJP-LBPRGKRZSA-N 1 2 329.425 3.795 20 0 EHADLO CC1CCC([N@H+](Cn2nnn(-c3ccccc3)c2=S)C2CC2)CC1 ZINC000917438224 1122602207 /nfs/dbraw/zinc/60/22/07/1122602207.db2.gz MOUROQMHKJEAOB-UHFFFAOYSA-N 1 2 343.500 3.799 20 0 EHADLO CC1CCC([N@@H+](Cn2nnn(-c3ccccc3)c2=S)C2CC2)CC1 ZINC000917438224 1122602212 /nfs/dbraw/zinc/60/22/12/1122602212.db2.gz MOUROQMHKJEAOB-UHFFFAOYSA-N 1 2 343.500 3.799 20 0 EHADLO S=c1c2ccccc2nnn1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000917427915 1122605652 /nfs/dbraw/zinc/60/56/52/1122605652.db2.gz ACCKYKJRYVAZIN-INIZCTEOSA-N 1 2 336.464 3.825 20 0 EHADLO S=c1c2ccccc2nnn1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000917427915 1122605655 /nfs/dbraw/zinc/60/56/55/1122605655.db2.gz ACCKYKJRYVAZIN-INIZCTEOSA-N 1 2 336.464 3.825 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1nnn(Cc2cccs2)c1=S ZINC000917454037 1122611181 /nfs/dbraw/zinc/61/11/81/1122611181.db2.gz DJLJTIQLVPBBLK-UHFFFAOYSA-N 1 2 339.534 3.634 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1nnn(Cc2cccs2)c1=S ZINC000917454037 1122611186 /nfs/dbraw/zinc/61/11/86/1122611186.db2.gz DJLJTIQLVPBBLK-UHFFFAOYSA-N 1 2 339.534 3.634 20 0 EHADLO O=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000917478195 1122613459 /nfs/dbraw/zinc/61/34/59/1122613459.db2.gz LKSPHYOCHCLBMT-IBGZPJMESA-N 1 2 349.434 3.558 20 0 EHADLO O=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000917478195 1122613463 /nfs/dbraw/zinc/61/34/63/1122613463.db2.gz LKSPHYOCHCLBMT-IBGZPJMESA-N 1 2 349.434 3.558 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1=O ZINC000917482983 1122614218 /nfs/dbraw/zinc/61/42/18/1122614218.db2.gz NQXZQOJBWZDQKA-MRXNPFEDSA-N 1 2 341.842 3.788 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1=O ZINC000917482983 1122614221 /nfs/dbraw/zinc/61/42/21/1122614221.db2.gz NQXZQOJBWZDQKA-MRXNPFEDSA-N 1 2 341.842 3.788 20 0 EHADLO CCNc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cs1 ZINC000128574679 1122627886 /nfs/dbraw/zinc/62/78/86/1122627886.db2.gz ZYKUPLGMTGQYFN-UHFFFAOYSA-N 1 2 347.831 3.666 20 0 EHADLO Nc1ccc(COC(=O)[C@H](OCC2CCCC2)c2ccccc2)c[nH+]1 ZINC000923757938 1122680170 /nfs/dbraw/zinc/68/01/70/1122680170.db2.gz DWOSXNVLOGQANV-LJQANCHMSA-N 1 2 340.423 3.655 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1nc(C(F)(F)F)cs1 ZINC000922072648 1129077699 /nfs/dbraw/zinc/07/76/99/1129077699.db2.gz MPJARHYONCPFRK-VIFPVBQESA-N 1 2 328.359 3.948 20 0 EHADLO Cn1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c(-c2ccccc2)n1 ZINC000129655531 1122817616 /nfs/dbraw/zinc/81/76/16/1122817616.db2.gz CBCWWGPQCKQVBO-FQEVSTJZSA-N 1 2 343.434 3.689 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127455729 1122952321 /nfs/dbraw/zinc/95/23/21/1122952321.db2.gz ZAUSYOZWWXELNY-CQSZACIVSA-N 1 2 341.455 3.987 20 0 EHADLO C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCC1 ZINC000556518531 1123008264 /nfs/dbraw/zinc/00/82/64/1123008264.db2.gz UCEADBOOXCHGKM-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1nc2sccn2c1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924020706 1123050019 /nfs/dbraw/zinc/05/00/19/1123050019.db2.gz FVTSRSNFJADDRH-LBPRGKRZSA-N 1 2 342.428 3.586 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCCC[C@@H]1C1CCC1 ZINC000649196890 1123052236 /nfs/dbraw/zinc/05/22/36/1123052236.db2.gz ZIUVTRZOVPRETD-HXUWFJFHSA-N 1 2 337.467 3.655 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(F)c2)o1 ZINC000131340481 1123086576 /nfs/dbraw/zinc/08/65/76/1123086576.db2.gz ZWFAXGPTDOUBQN-QGZVFWFLSA-N 1 2 346.402 3.649 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(F)c2)o1 ZINC000131340481 1123086582 /nfs/dbraw/zinc/08/65/82/1123086582.db2.gz ZWFAXGPTDOUBQN-QGZVFWFLSA-N 1 2 346.402 3.649 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515450 1123108142 /nfs/dbraw/zinc/10/81/42/1123108142.db2.gz DNRLYUOTSPZKFB-WDEREUQCSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515450 1123108145 /nfs/dbraw/zinc/10/81/45/1123108145.db2.gz DNRLYUOTSPZKFB-WDEREUQCSA-N 1 2 347.322 3.636 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000072650822 1123137540 /nfs/dbraw/zinc/13/75/40/1123137540.db2.gz VYSLFHDDWPABOI-QGZVFWFLSA-N 1 2 338.451 3.651 20 0 EHADLO O=C(CSc1ccccc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556860574 1123156112 /nfs/dbraw/zinc/15/61/12/1123156112.db2.gz PMMZIEFVISANJC-WKILWMFISA-N 1 2 341.480 3.713 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000556882841 1123164784 /nfs/dbraw/zinc/16/47/84/1123164784.db2.gz FXPUBECGBKUAIK-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000556882841 1123164788 /nfs/dbraw/zinc/16/47/88/1123164788.db2.gz FXPUBECGBKUAIK-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO Fc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000557010062 1123265735 /nfs/dbraw/zinc/26/57/35/1123265735.db2.gz IESRNIYTNSEMOB-HXUWFJFHSA-N 1 2 343.421 3.892 20 0 EHADLO Fc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000557010062 1123265739 /nfs/dbraw/zinc/26/57/39/1123265739.db2.gz IESRNIYTNSEMOB-HXUWFJFHSA-N 1 2 343.421 3.892 20 0 EHADLO O=C(C[NH2+]Cc1c(F)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000920179730 1123328115 /nfs/dbraw/zinc/32/81/15/1123328115.db2.gz BCGOVKNCFYVJPM-UHFFFAOYSA-N 1 2 327.186 3.861 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cccc2)cc1 ZINC000920769074 1123422119 /nfs/dbraw/zinc/42/21/19/1123422119.db2.gz ZPFODUGZMWDLFA-SFHVURJKSA-N 1 2 336.439 3.519 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920768137 1123422566 /nfs/dbraw/zinc/42/25/66/1123422566.db2.gz OHUIGPUXTZQOSB-CZUORRHYSA-N 1 2 349.862 3.535 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000134653066 1123540413 /nfs/dbraw/zinc/54/04/13/1123540413.db2.gz DRMZVTCFXZBQJP-WDEREUQCSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(Cl)s1 ZINC000134653066 1123540415 /nfs/dbraw/zinc/54/04/15/1123540415.db2.gz DRMZVTCFXZBQJP-WDEREUQCSA-N 1 2 345.896 3.674 20 0 EHADLO CNc1ccc(Nc2cnc3c(Br)cccc3n2)c[nH+]1 ZINC001203454980 1123635140 /nfs/dbraw/zinc/63/51/40/1123635140.db2.gz OTDKPMGDBUTTFE-UHFFFAOYSA-N 1 2 330.189 3.573 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3ccc(F)cc3Br)nc12 ZINC000136179653 1123674789 /nfs/dbraw/zinc/67/47/89/1123674789.db2.gz ZQHJMVBWDLHISO-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nnsc1Cl ZINC000136232453 1123678736 /nfs/dbraw/zinc/67/87/36/1123678736.db2.gz IPNXXVZTRUWFOR-CYBMUJFWSA-N 1 2 347.271 3.577 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc2ncccc21 ZINC000079256108 1123681647 /nfs/dbraw/zinc/68/16/47/1123681647.db2.gz HLSDEUHZOPRIFR-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000079454929 1123696117 /nfs/dbraw/zinc/69/61/17/1123696117.db2.gz LVLGSJZRFJNEOR-OAQYLSRUSA-N 1 2 347.462 3.987 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000079833051 1123726775 /nfs/dbraw/zinc/72/67/75/1123726775.db2.gz PBALFTNPMAKKJY-CYBMUJFWSA-N 1 2 336.382 3.518 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000079833051 1123726778 /nfs/dbraw/zinc/72/67/78/1123726778.db2.gz PBALFTNPMAKKJY-CYBMUJFWSA-N 1 2 336.382 3.518 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000610127276 1123738286 /nfs/dbraw/zinc/73/82/86/1123738286.db2.gz ONCUPIZEVULBMP-HZPDHXFCSA-N 1 2 345.512 3.961 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000610127274 1123738449 /nfs/dbraw/zinc/73/84/49/1123738449.db2.gz ONCUPIZEVULBMP-CVEARBPZSA-N 1 2 345.512 3.961 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)c(C)c1 ZINC000615688975 1123857206 /nfs/dbraw/zinc/85/72/06/1123857206.db2.gz BJCKCSHFRODCNE-KRWDZBQOSA-N 1 2 340.471 3.903 20 0 EHADLO C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179895258 1123884177 /nfs/dbraw/zinc/88/41/77/1123884177.db2.gz FPODNSBSQLINOB-HNNXBMFYSA-N 1 2 334.423 3.874 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938571 1123900437 /nfs/dbraw/zinc/90/04/37/1123900437.db2.gz PZSWOJGXWRBUQN-UKRRQHHQSA-N 1 2 338.879 3.562 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938571 1123900439 /nfs/dbraw/zinc/90/04/39/1123900439.db2.gz PZSWOJGXWRBUQN-UKRRQHHQSA-N 1 2 338.879 3.562 20 0 EHADLO CCc1ncsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245747934 1123943608 /nfs/dbraw/zinc/94/36/08/1123943608.db2.gz ANRLMRBGUGMNNW-CABCVRRESA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245747934 1123943610 /nfs/dbraw/zinc/94/36/10/1123943610.db2.gz ANRLMRBGUGMNNW-CABCVRRESA-N 1 2 349.887 3.534 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245852797 1123961177 /nfs/dbraw/zinc/96/11/77/1123961177.db2.gz BQQXYNOSXFSIDW-IIDMSEBBSA-N 1 2 345.874 3.825 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCOC[C@H]1CCCO1 ZINC000616303386 1123980240 /nfs/dbraw/zinc/98/02/40/1123980240.db2.gz MZXJKARXBDNZTJ-GOSISDBHSA-N 1 2 332.469 3.610 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000246208429 1124054276 /nfs/dbraw/zinc/05/42/76/1124054276.db2.gz XYCKMFAOCBWESB-YJBOKZPZSA-N 1 2 346.496 3.684 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000246208429 1124054278 /nfs/dbraw/zinc/05/42/78/1124054278.db2.gz XYCKMFAOCBWESB-YJBOKZPZSA-N 1 2 346.496 3.684 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000246543576 1124506690 /nfs/dbraw/zinc/50/66/90/1124506690.db2.gz CYUCDUSPHICIEK-SAKMYQHLSA-N 1 2 340.471 3.846 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247168656 1124592927 /nfs/dbraw/zinc/59/29/27/1124592927.db2.gz XUGNUJYXWVJSNN-CABCVRRESA-N 1 2 326.843 3.777 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247168656 1124592931 /nfs/dbraw/zinc/59/29/31/1124592931.db2.gz XUGNUJYXWVJSNN-CABCVRRESA-N 1 2 326.843 3.777 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617515653 1124621656 /nfs/dbraw/zinc/62/16/56/1124621656.db2.gz INRHKEZNYCLWJK-SFHVURJKSA-N 1 2 331.847 3.538 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(CC(C)C)c2)[C@@H](C)CO1 ZINC000248389913 1124655042 /nfs/dbraw/zinc/65/50/42/1124655042.db2.gz SQWKSVXBNYPLHH-FXAWDEMLSA-N 1 2 327.472 3.810 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(CC(C)C)c2)[C@@H](C)CO1 ZINC000248389913 1124655043 /nfs/dbraw/zinc/65/50/43/1124655043.db2.gz SQWKSVXBNYPLHH-FXAWDEMLSA-N 1 2 327.472 3.810 20 0 EHADLO O=C1OCCC12CC[NH+](Cc1cc(Cl)c(F)c(Cl)c1)CC2 ZINC001236659833 1124707793 /nfs/dbraw/zinc/70/77/93/1124707793.db2.gz SVTISHQJTJBTDD-UHFFFAOYSA-N 1 2 332.202 3.662 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000734810762 1131279361 /nfs/dbraw/zinc/27/93/61/1131279361.db2.gz BYZOJQDAJFLNMI-YOEHRIQHSA-N 1 2 331.435 3.747 20 0 EHADLO CC(C)Oc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069391352 1124743519 /nfs/dbraw/zinc/74/35/19/1124743519.db2.gz PSFBHWINLCKLEN-UHFFFAOYSA-N 1 2 349.434 3.518 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000249267386 1124749359 /nfs/dbraw/zinc/74/93/59/1124749359.db2.gz IQBPIVVQEAMJDY-CZUORRHYSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000249267386 1124749365 /nfs/dbraw/zinc/74/93/65/1124749365.db2.gz IQBPIVVQEAMJDY-CZUORRHYSA-N 1 2 329.362 3.648 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000089358272 1124808353 /nfs/dbraw/zinc/80/83/53/1124808353.db2.gz FYJQMRLELHUTEA-ICSRJNTNSA-N 1 2 337.467 3.933 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(-c2ccoc2)c1 ZINC000089658975 1124831611 /nfs/dbraw/zinc/83/16/11/1124831611.db2.gz SLWKCHPIZJIKOD-UHFFFAOYSA-N 1 2 347.418 3.872 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000448782603 1124908601 /nfs/dbraw/zinc/90/86/01/1124908601.db2.gz FGQYMWNZSXNOTJ-SOLBZPMBSA-N 1 2 330.472 3.530 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c(OC)c1 ZINC000090547119 1124920184 /nfs/dbraw/zinc/92/01/84/1124920184.db2.gz QUCKARNRYIMICY-AWEZNQCLSA-N 1 2 329.444 3.866 20 0 EHADLO CO[C@H]1C[N@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@@H]1C ZINC000251785958 1124944143 /nfs/dbraw/zinc/94/41/43/1124944143.db2.gz LQJOXTCLBIGAQP-YJBOKZPZSA-N 1 2 346.496 3.887 20 0 EHADLO CO[C@H]1C[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@@H]1C ZINC000251785958 1124944148 /nfs/dbraw/zinc/94/41/48/1124944148.db2.gz LQJOXTCLBIGAQP-YJBOKZPZSA-N 1 2 346.496 3.887 20 0 EHADLO CCCC(=CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)CCC ZINC001127640179 1124986261 /nfs/dbraw/zinc/98/62/61/1124986261.db2.gz GBGXAADDZYSQHX-UHFFFAOYSA-N 1 2 332.463 3.997 20 0 EHADLO Cc1cc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)c2ccccc2n1 ZINC000181980823 1125101700 /nfs/dbraw/zinc/10/17/00/1125101700.db2.gz RMMUNWNJYMMSDO-FQEVSTJZSA-N 1 2 334.419 3.889 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000093278857 1125213666 /nfs/dbraw/zinc/21/36/66/1125213666.db2.gz OMWOEVVOBGMVEP-ZDUSSCGKSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000093278857 1125213669 /nfs/dbraw/zinc/21/36/69/1125213669.db2.gz OMWOEVVOBGMVEP-ZDUSSCGKSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccccc3F)CC3CC3)ccn12 ZINC000618965484 1125250453 /nfs/dbraw/zinc/25/04/53/1125250453.db2.gz WZBYDBIZGVOQOW-UHFFFAOYSA-N 1 2 337.398 3.834 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619073286 1125272623 /nfs/dbraw/zinc/27/26/23/1125272623.db2.gz QKXBFMIRXYDPDH-FQEVSTJZSA-N 1 2 336.435 3.774 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619073286 1125272626 /nfs/dbraw/zinc/27/26/26/1125272626.db2.gz QKXBFMIRXYDPDH-FQEVSTJZSA-N 1 2 336.435 3.774 20 0 EHADLO C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000619705546 1125385003 /nfs/dbraw/zinc/38/50/03/1125385003.db2.gz BIUGZARBGTXSAZ-QWHCGFSZSA-N 1 2 336.505 3.543 20 0 EHADLO C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000619705546 1125385005 /nfs/dbraw/zinc/38/50/05/1125385005.db2.gz BIUGZARBGTXSAZ-QWHCGFSZSA-N 1 2 336.505 3.543 20 0 EHADLO C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)CC1 ZINC000619955294 1125435730 /nfs/dbraw/zinc/43/57/30/1125435730.db2.gz ZCNMJUCYNJDQHA-VSVYTNTFSA-N 1 2 343.446 3.965 20 0 EHADLO Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C ZINC000079255575 1129251493 /nfs/dbraw/zinc/25/14/93/1129251493.db2.gz YRSIWNJYHOHNAN-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO c1csc(-c2cnc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000067378219 1129269728 /nfs/dbraw/zinc/26/97/28/1129269728.db2.gz RUMPBGQAFUVWGA-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO c1csc(-c2cnc(C[N@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000067378219 1129269733 /nfs/dbraw/zinc/26/97/33/1129269733.db2.gz RUMPBGQAFUVWGA-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO FC(F)n1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000347695507 1129284564 /nfs/dbraw/zinc/28/45/64/1129284564.db2.gz ZDKYQNATGOEAQE-CQSZACIVSA-N 1 2 327.762 3.585 20 0 EHADLO FC(F)n1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000347695507 1129284566 /nfs/dbraw/zinc/28/45/66/1129284566.db2.gz ZDKYQNATGOEAQE-CQSZACIVSA-N 1 2 327.762 3.585 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000543181897 1129316224 /nfs/dbraw/zinc/31/62/24/1129316224.db2.gz PPXWKFAVOSWDPW-GFCCVEGCSA-N 1 2 339.277 3.756 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000543181897 1129316227 /nfs/dbraw/zinc/31/62/27/1129316227.db2.gz PPXWKFAVOSWDPW-GFCCVEGCSA-N 1 2 339.277 3.756 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000068254682 1129355750 /nfs/dbraw/zinc/35/57/50/1129355750.db2.gz BDUBESXSDRDMOT-QZTJIDSGSA-N 1 2 340.854 3.576 20 0 EHADLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@@H]1O ZINC000657492572 1129366599 /nfs/dbraw/zinc/36/65/99/1129366599.db2.gz XUAYBDHWDSVUQD-HIFRSBDPSA-N 1 2 343.370 3.528 20 0 EHADLO CN(CC[N@H+](C)Cc1ccc(F)c(Cl)c1F)C(=O)OC(C)(C)C ZINC001143616904 1129371542 /nfs/dbraw/zinc/37/15/42/1129371542.db2.gz XCVUEIQCKNOWLZ-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO CN(CC[N@@H+](C)Cc1ccc(F)c(Cl)c1F)C(=O)OC(C)(C)C ZINC001143616904 1129371545 /nfs/dbraw/zinc/37/15/45/1129371545.db2.gz XCVUEIQCKNOWLZ-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cccc(Cl)c1F ZINC000068527246 1129378272 /nfs/dbraw/zinc/37/82/72/1129378272.db2.gz CIYIJBCEFVJYJP-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO Cc1ccn(C)c1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000673438242 1129397619 /nfs/dbraw/zinc/39/76/19/1129397619.db2.gz RXUXIMFNCQCLJC-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1 ZINC000543328400 1129413525 /nfs/dbraw/zinc/41/35/25/1129413525.db2.gz INXGQEFDYBRALD-GOSISDBHSA-N 1 2 349.438 3.766 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000081318190 1129413655 /nfs/dbraw/zinc/41/36/55/1129413655.db2.gz VRAGQGUISYWNLU-SFHVURJKSA-N 1 2 325.456 3.791 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265847855 1129415345 /nfs/dbraw/zinc/41/53/45/1129415345.db2.gz FLYSQRGESZWWPK-QWHCGFSZSA-N 1 2 347.821 3.712 20 0 EHADLO CCCC[C@H](CC)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471595 1129445277 /nfs/dbraw/zinc/44/52/77/1129445277.db2.gz CIIKRIRTCTYOOX-INIZCTEOSA-N 1 2 337.533 3.824 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000282356547 1129493641 /nfs/dbraw/zinc/49/36/41/1129493641.db2.gz CXVQZXNFQKLNMB-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000282356547 1129493643 /nfs/dbraw/zinc/49/36/43/1129493643.db2.gz CXVQZXNFQKLNMB-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922526800 1129562506 /nfs/dbraw/zinc/56/25/06/1129562506.db2.gz UVWAYGHROKKRCL-YLJYHZDGSA-N 1 2 337.398 3.947 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922526794 1129562794 /nfs/dbraw/zinc/56/27/94/1129562794.db2.gz UVWAYGHROKKRCL-FXAWDEMLSA-N 1 2 337.398 3.947 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC ZINC000922578925 1129579589 /nfs/dbraw/zinc/57/95/89/1129579589.db2.gz FSJDJGMCPFAOSV-AUUYWEPGSA-N 1 2 341.455 3.903 20 0 EHADLO Fc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Br ZINC000922581841 1129581400 /nfs/dbraw/zinc/58/14/00/1129581400.db2.gz KOXCWQSLTJEUEV-CQSZACIVSA-N 1 2 336.208 3.619 20 0 EHADLO Cc1noc(CCC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000347724174 1129584122 /nfs/dbraw/zinc/58/41/22/1129584122.db2.gz HDUZSAHDUTVOFJ-HNNXBMFYSA-N 1 2 345.834 3.677 20 0 EHADLO Cc1noc(CCC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000347724174 1129584124 /nfs/dbraw/zinc/58/41/24/1129584124.db2.gz HDUZSAHDUTVOFJ-HNNXBMFYSA-N 1 2 345.834 3.677 20 0 EHADLO CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922600605 1129589335 /nfs/dbraw/zinc/58/93/35/1129589335.db2.gz WMULYICYDXVYAD-UHFFFAOYSA-N 1 2 346.814 3.660 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000158700820 1129612371 /nfs/dbraw/zinc/61/23/71/1129612371.db2.gz XPYYNNJDHLZPDR-OAQYLSRUSA-N 1 2 332.451 3.554 20 0 EHADLO CN(C)c1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000158700820 1129612374 /nfs/dbraw/zinc/61/23/74/1129612374.db2.gz XPYYNNJDHLZPDR-OAQYLSRUSA-N 1 2 332.451 3.554 20 0 EHADLO Cn1c(C[NH2+]Cc2nc3c(s2)CCCC3)nc2ccc(Cl)cc21 ZINC000922697556 1129630107 /nfs/dbraw/zinc/63/01/07/1129630107.db2.gz VHOREHXWIVNNJG-UHFFFAOYSA-N 1 2 346.887 3.852 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428977464 1129658290 /nfs/dbraw/zinc/65/82/90/1129658290.db2.gz NFPYRLJLWBFMON-SJORKVTESA-N 1 2 346.519 3.966 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000347751469 1129687180 /nfs/dbraw/zinc/68/71/80/1129687180.db2.gz IXEGHACTZBMHGJ-UHFFFAOYSA-N 1 2 337.345 3.595 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C)on2)[C@H](C)C2CC2)c(OC)c1 ZINC000282398114 1129693372 /nfs/dbraw/zinc/69/33/72/1129693372.db2.gz HKSLBDYCNCMYKG-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C)on2)[C@H](C)C2CC2)c(OC)c1 ZINC000282398114 1129693375 /nfs/dbraw/zinc/69/33/75/1129693375.db2.gz HKSLBDYCNCMYKG-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO CCCCc1noc([C@@H](C)O[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000735918997 1131391308 /nfs/dbraw/zinc/39/13/08/1131391308.db2.gz GPKKNEGGFZOSPG-LLVKDONJSA-N 1 2 336.823 3.868 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H]1C ZINC000347767070 1129705076 /nfs/dbraw/zinc/70/50/76/1129705076.db2.gz FPBWCKMROZREFO-JFIYKMOQSA-N 1 2 344.503 3.696 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000625090647 1129728230 /nfs/dbraw/zinc/72/82/30/1129728230.db2.gz UTNIHCFPZDAAQC-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000625090647 1129728233 /nfs/dbraw/zinc/72/82/33/1129728233.db2.gz UTNIHCFPZDAAQC-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO Brc1cccc2c(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cccc12 ZINC000429062757 1129733552 /nfs/dbraw/zinc/73/35/52/1129733552.db2.gz RDAXYWRRUWUFOW-OKILXGFUSA-N 1 2 332.241 3.966 20 0 EHADLO Brc1cccc2c(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cccc12 ZINC000429062757 1129733556 /nfs/dbraw/zinc/73/35/56/1129733556.db2.gz RDAXYWRRUWUFOW-OKILXGFUSA-N 1 2 332.241 3.966 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625210362 1129761547 /nfs/dbraw/zinc/76/15/47/1129761547.db2.gz VPPBGGLUUFHOHN-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625206890 1129762351 /nfs/dbraw/zinc/76/23/51/1129762351.db2.gz YHQQOTPTDBPDJU-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO c1ccc2oc([C@H]3CCC[N@@H+](Cc4noc(C5CCC5)n4)C3)nc2c1 ZINC000625230855 1129772797 /nfs/dbraw/zinc/77/27/97/1129772797.db2.gz NYVSYHWRFKNPSZ-AWEZNQCLSA-N 1 2 338.411 3.858 20 0 EHADLO c1ccc2oc([C@H]3CCC[N@H+](Cc4noc(C5CCC5)n4)C3)nc2c1 ZINC000625230855 1129772798 /nfs/dbraw/zinc/77/27/98/1129772798.db2.gz NYVSYHWRFKNPSZ-AWEZNQCLSA-N 1 2 338.411 3.858 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)C3CCCCC3)[nH+]c12 ZINC000673727343 1129813242 /nfs/dbraw/zinc/81/32/42/1129813242.db2.gz ZOHKMDAAYVNTTL-MRXNPFEDSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3occc3-c3ccccc3)[nH+]c12 ZINC000673747138 1129825202 /nfs/dbraw/zinc/82/52/02/1129825202.db2.gz JQFYQGDLQOYKHS-UHFFFAOYSA-N 1 2 345.402 3.875 20 0 EHADLO CSc1cccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673758705 1129834669 /nfs/dbraw/zinc/83/46/69/1129834669.db2.gz XINDDCORPNVYKL-UHFFFAOYSA-N 1 2 340.452 3.729 20 0 EHADLO Fc1ccc(COc2ccc(C[N@@H+]3CCc4nc[nH]c4C3)cc2)cc1 ZINC000625435343 1129874044 /nfs/dbraw/zinc/87/40/44/1129874044.db2.gz DQFVQYSOOPMUDK-UHFFFAOYSA-N 1 2 337.398 3.686 20 0 EHADLO Fc1ccc(COc2ccc(C[N@H+]3CCc4nc[nH]c4C3)cc2)cc1 ZINC000625435343 1129874049 /nfs/dbraw/zinc/87/40/49/1129874049.db2.gz DQFVQYSOOPMUDK-UHFFFAOYSA-N 1 2 337.398 3.686 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000347823221 1129884115 /nfs/dbraw/zinc/88/41/15/1129884115.db2.gz ZRJKGEXVWWVWCM-MRXNPFEDSA-N 1 2 329.362 3.838 20 0 EHADLO CCC(=O)CCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000347823221 1129884118 /nfs/dbraw/zinc/88/41/18/1129884118.db2.gz ZRJKGEXVWWVWCM-MRXNPFEDSA-N 1 2 329.362 3.838 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000347831778 1129900633 /nfs/dbraw/zinc/90/06/33/1129900633.db2.gz OITCCPTZRPGPEN-JSGCOSHPSA-N 1 2 337.345 3.594 20 0 EHADLO C[C@@H](CO)C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625515020 1129912567 /nfs/dbraw/zinc/91/25/67/1129912567.db2.gz XDEKOLKOXCPTJC-JTQLQIEISA-N 1 2 348.231 3.568 20 0 EHADLO c1cc2n(n1)CCC[C@H]2Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000657955057 1129918258 /nfs/dbraw/zinc/91/82/58/1129918258.db2.gz WHTQKHLHDDVNKO-GOSISDBHSA-N 1 2 331.423 3.745 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000455786939 1129921976 /nfs/dbraw/zinc/92/19/76/1129921976.db2.gz ULDXMCXRWGCBCZ-OAHLLOKOSA-N 1 2 342.443 3.619 20 0 EHADLO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3csc(C)n3)o2)cc1 ZINC000132944803 1129924854 /nfs/dbraw/zinc/92/48/54/1129924854.db2.gz RRKOSSJNZOEBLC-UHFFFAOYSA-N 1 2 342.420 3.788 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cscc1Br ZINC000347877098 1129962873 /nfs/dbraw/zinc/96/28/73/1129962873.db2.gz ZETHKUOTKTTXNX-OAHLLOKOSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cscc1Br ZINC000347877098 1129962876 /nfs/dbraw/zinc/96/28/76/1129962876.db2.gz ZETHKUOTKTTXNX-OAHLLOKOSA-N 1 2 338.270 3.602 20 0 EHADLO C[C@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H](C)C1(F)F ZINC000625647734 1129966128 /nfs/dbraw/zinc/96/61/28/1129966128.db2.gz HIKZDVJSJNHFHA-UWVGGRQHSA-N 1 2 334.769 3.641 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000282506768 1129968618 /nfs/dbraw/zinc/96/86/18/1129968618.db2.gz ZIAZADWXCOBNEE-INIZCTEOSA-N 1 2 341.430 3.687 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674048008 1129983277 /nfs/dbraw/zinc/98/32/77/1129983277.db2.gz WEWVKPZWCQPTGG-QRWLVFNGSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674048008 1129983281 /nfs/dbraw/zinc/98/32/81/1129983281.db2.gz WEWVKPZWCQPTGG-QRWLVFNGSA-N 1 2 338.426 3.546 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000528572888 1130037145 /nfs/dbraw/zinc/03/71/45/1130037145.db2.gz JVFLQHNCZBWUAF-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2c(F)c(F)cc(F)c2F)o1 ZINC000674374997 1130078838 /nfs/dbraw/zinc/07/88/38/1130078838.db2.gz AXLFFAHXDBHULB-UHFFFAOYSA-N 1 2 339.292 3.824 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505593 1130111773 /nfs/dbraw/zinc/11/17/73/1130111773.db2.gz OPWZSGQSDMEACC-MRXNPFEDSA-N 1 2 335.451 3.819 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505593 1130111775 /nfs/dbraw/zinc/11/17/75/1130111775.db2.gz OPWZSGQSDMEACC-MRXNPFEDSA-N 1 2 335.451 3.819 20 0 EHADLO CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccccc1 ZINC000172417560 1130132504 /nfs/dbraw/zinc/13/25/04/1130132504.db2.gz KOAWYRKDWOBDPC-FQEVSTJZSA-N 1 2 338.451 3.537 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000675138529 1130262031 /nfs/dbraw/zinc/26/20/31/1130262031.db2.gz WXWZBYVHIOPIAK-HXUWFJFHSA-N 1 2 346.434 3.731 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675255143 1130297913 /nfs/dbraw/zinc/29/79/13/1130297913.db2.gz HCANEMRFPBALRF-WBMJQRKESA-N 1 2 341.386 3.800 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@H]1n1cc[nH+]c1 ZINC000675256996 1130299119 /nfs/dbraw/zinc/29/91/19/1130299119.db2.gz FIVSZQKGFAZXBZ-SJKOYZFVSA-N 1 2 342.830 3.741 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000675257493 1130299200 /nfs/dbraw/zinc/29/92/00/1130299200.db2.gz KWWMOLORZMGNAK-QAPCUYQASA-N 1 2 345.874 3.887 20 0 EHADLO CCOc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1OC ZINC001212542432 1130338317 /nfs/dbraw/zinc/33/83/17/1130338317.db2.gz MOQOTDQMGUIZQT-UHFFFAOYSA-N 1 2 342.439 3.670 20 0 EHADLO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2n[nH]c3ccccc32)n1 ZINC000675476918 1130401627 /nfs/dbraw/zinc/40/16/27/1130401627.db2.gz RQWAZJOKYONXTC-UHFFFAOYSA-N 1 2 331.423 3.655 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(C3CC3)cs1)O[C@@H](C)C2 ZINC000675763848 1130471896 /nfs/dbraw/zinc/47/18/96/1130471896.db2.gz YBRUJPCPJRMNBL-NSHDSACASA-N 1 2 330.453 3.642 20 0 EHADLO O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc2[nH+]ccn2c1 ZINC000675795868 1130477335 /nfs/dbraw/zinc/47/73/35/1130477335.db2.gz MCUYHQWAQGDBOJ-UHFFFAOYSA-N 1 2 335.407 3.621 20 0 EHADLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1C(F)(F)F ZINC000675808582 1130483177 /nfs/dbraw/zinc/48/31/77/1130483177.db2.gz VXIFMIPOQMIWGZ-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1C(F)(F)F ZINC000675808582 1130483181 /nfs/dbraw/zinc/48/31/81/1130483181.db2.gz VXIFMIPOQMIWGZ-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000675816294 1130485803 /nfs/dbraw/zinc/48/58/03/1130485803.db2.gz CWOILBUBMHTGNQ-UHFFFAOYSA-N 1 2 349.478 3.842 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000675822769 1130486919 /nfs/dbraw/zinc/48/69/19/1130486919.db2.gz CBDOEROURSXMSA-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000675822769 1130486921 /nfs/dbraw/zinc/48/69/21/1130486921.db2.gz CBDOEROURSXMSA-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO CC(C)[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)Cc1ccccc1 ZINC000675957849 1130509615 /nfs/dbraw/zinc/50/96/15/1130509615.db2.gz QVRIXXVYAMYVMH-PMACEKPBSA-N 1 2 334.467 3.999 20 0 EHADLO CC(C)(C)c1csc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000675975653 1130513703 /nfs/dbraw/zinc/51/37/03/1130513703.db2.gz VEARRVZOPHAFDE-UHFFFAOYSA-N 1 2 326.469 3.916 20 0 EHADLO c1csc(-c2cnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)c1 ZINC000675977796 1130514392 /nfs/dbraw/zinc/51/43/92/1130514392.db2.gz XOEOZVLPYMDOBE-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001143252109 1130521193 /nfs/dbraw/zinc/52/11/93/1130521193.db2.gz QGJWSNODXOKRLD-UHFFFAOYSA-N 1 2 326.387 3.723 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727824430 1130600166 /nfs/dbraw/zinc/60/01/66/1130600166.db2.gz PHXDPIYISQQIEJ-CYBMUJFWSA-N 1 2 349.456 3.722 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727824430 1130600168 /nfs/dbraw/zinc/60/01/68/1130600168.db2.gz PHXDPIYISQQIEJ-CYBMUJFWSA-N 1 2 349.456 3.722 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3ccccc3C2)C1 ZINC000728038945 1130619580 /nfs/dbraw/zinc/61/95/80/1130619580.db2.gz BQRPHELWGHMARA-OAHLLOKOSA-N 1 2 342.508 3.831 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3ccccc3C2)C1 ZINC000728038945 1130619582 /nfs/dbraw/zinc/61/95/82/1130619582.db2.gz BQRPHELWGHMARA-OAHLLOKOSA-N 1 2 342.508 3.831 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](CC)Cc2ccccc2)C1 ZINC000728039510 1130619891 /nfs/dbraw/zinc/61/98/91/1130619891.db2.gz MMDDZJYAGWAWGW-HNNXBMFYSA-N 1 2 330.497 3.904 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](CC)Cc2ccccc2)C1 ZINC000728039510 1130619895 /nfs/dbraw/zinc/61/98/95/1130619895.db2.gz MMDDZJYAGWAWGW-HNNXBMFYSA-N 1 2 330.497 3.904 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](CCc2ccccc2)C2CC2)C1 ZINC000728042975 1130621014 /nfs/dbraw/zinc/62/10/14/1130621014.db2.gz LTCWFVRJEFURPJ-OAHLLOKOSA-N 1 2 342.508 3.699 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](CCc2ccccc2)C2CC2)C1 ZINC000728042975 1130621018 /nfs/dbraw/zinc/62/10/18/1130621018.db2.gz LTCWFVRJEFURPJ-OAHLLOKOSA-N 1 2 342.508 3.699 20 0 EHADLO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)on1 ZINC000169258044 1130637346 /nfs/dbraw/zinc/63/73/46/1130637346.db2.gz MTEUSKPIAYGJBT-LBPRGKRZSA-N 1 2 345.834 3.883 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000728174893 1130647645 /nfs/dbraw/zinc/64/76/45/1130647645.db2.gz YTTPIFDWMGSIIP-AWEZNQCLSA-N 1 2 346.254 3.600 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000728174893 1130647647 /nfs/dbraw/zinc/64/76/47/1130647647.db2.gz YTTPIFDWMGSIIP-AWEZNQCLSA-N 1 2 346.254 3.600 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCc3sccc3C2)C1 ZINC000730457974 1130712385 /nfs/dbraw/zinc/71/23/85/1130712385.db2.gz NCCUPKXRZCWWBL-CYBMUJFWSA-N 1 2 348.537 3.892 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCCc3sccc3C2)C1 ZINC000730457974 1130712386 /nfs/dbraw/zinc/71/23/86/1130712386.db2.gz NCCUPKXRZCWWBL-CYBMUJFWSA-N 1 2 348.537 3.892 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1cccc(Br)c1 ZINC000731028910 1130762080 /nfs/dbraw/zinc/76/20/80/1130762080.db2.gz KCUPKGCQNVZGOW-UHFFFAOYSA-N 1 2 325.231 3.752 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000731657120 1130823219 /nfs/dbraw/zinc/82/32/19/1130823219.db2.gz BAAVHCKLEYXGSU-UHFFFAOYSA-N 1 2 338.480 3.700 20 0 EHADLO O=C(C=C1CCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732137091 1130890289 /nfs/dbraw/zinc/89/02/89/1130890289.db2.gz ALBYVHYTYWSVFD-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO O=C(C=C1CCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732137091 1130890295 /nfs/dbraw/zinc/89/02/95/1130890295.db2.gz ALBYVHYTYWSVFD-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccco3)C2)nc1-c1ccccc1 ZINC000732182989 1130894780 /nfs/dbraw/zinc/89/47/80/1130894780.db2.gz KPLBVUKGCZVTRP-OAHLLOKOSA-N 1 2 340.452 3.658 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](c3ccco3)C2)nc1-c1ccccc1 ZINC000732182989 1130894784 /nfs/dbraw/zinc/89/47/84/1130894784.db2.gz KPLBVUKGCZVTRP-OAHLLOKOSA-N 1 2 340.452 3.658 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H](C)O1 ZINC000732186353 1130896444 /nfs/dbraw/zinc/89/64/44/1130896444.db2.gz SQXLYLNDQMXPJM-VXGBXAGGSA-N 1 2 341.427 3.808 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H](C)O1 ZINC000732186353 1130896452 /nfs/dbraw/zinc/89/64/52/1130896452.db2.gz SQXLYLNDQMXPJM-VXGBXAGGSA-N 1 2 341.427 3.808 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cs1 ZINC000732413202 1130924956 /nfs/dbraw/zinc/92/49/56/1130924956.db2.gz QPOPLYLOIPIUSI-QGZVFWFLSA-N 1 2 349.544 3.709 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cs1 ZINC000732413202 1130924960 /nfs/dbraw/zinc/92/49/60/1130924960.db2.gz QPOPLYLOIPIUSI-QGZVFWFLSA-N 1 2 349.544 3.709 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000732410479 1130925359 /nfs/dbraw/zinc/92/53/59/1130925359.db2.gz BSHNKJJGOMSLMX-CURYNPBISA-N 1 2 344.499 3.626 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000732410479 1130925364 /nfs/dbraw/zinc/92/53/64/1130925364.db2.gz BSHNKJJGOMSLMX-CURYNPBISA-N 1 2 344.499 3.626 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000732989230 1130980431 /nfs/dbraw/zinc/98/04/31/1130980431.db2.gz QBTOLRGMSIIBKF-LBTNJELSSA-N 1 2 336.426 3.606 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000732989230 1130980438 /nfs/dbraw/zinc/98/04/38/1130980438.db2.gz QBTOLRGMSIIBKF-LBTNJELSSA-N 1 2 336.426 3.606 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176523248 1130982249 /nfs/dbraw/zinc/98/22/49/1130982249.db2.gz KHASKVOMXWYAST-WMLDXEAASA-N 1 2 326.444 3.811 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000733291240 1131021956 /nfs/dbraw/zinc/02/19/56/1131021956.db2.gz GTJFLYOSDBJIMU-PXAZEXFGSA-N 1 2 332.494 3.583 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000733291240 1131021960 /nfs/dbraw/zinc/02/19/60/1131021960.db2.gz GTJFLYOSDBJIMU-PXAZEXFGSA-N 1 2 332.494 3.583 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000733289277 1131022097 /nfs/dbraw/zinc/02/20/97/1131022097.db2.gz FKBJPKAWFLXVOM-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000733289277 1131022103 /nfs/dbraw/zinc/02/21/03/1131022103.db2.gz FKBJPKAWFLXVOM-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000733293986 1131022674 /nfs/dbraw/zinc/02/26/74/1131022674.db2.gz ZINSKSJGWFXZHL-ZDUSSCGKSA-N 1 2 329.271 3.887 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000733293986 1131022679 /nfs/dbraw/zinc/02/26/79/1131022679.db2.gz ZINSKSJGWFXZHL-ZDUSSCGKSA-N 1 2 329.271 3.887 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000347977122 1131116289 /nfs/dbraw/zinc/11/62/89/1131116289.db2.gz LQDMWMMRUJSOPZ-CHWSQXEVSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000347977122 1131116292 /nfs/dbraw/zinc/11/62/92/1131116292.db2.gz LQDMWMMRUJSOPZ-CHWSQXEVSA-N 1 2 346.374 3.599 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000282604339 1131118842 /nfs/dbraw/zinc/11/88/42/1131118842.db2.gz HUDKAZGDDQNTAA-UHFFFAOYSA-N 1 2 344.793 3.578 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3CCCCC[C@@H]3C)c(=S)n2C)cc1 ZINC000738227125 1131464082 /nfs/dbraw/zinc/46/40/82/1131464082.db2.gz RTRPYKVTHLRUPN-AWEZNQCLSA-N 1 2 346.500 3.849 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3CCCCC[C@@H]3C)c(=S)n2C)cc1 ZINC000738227125 1131464085 /nfs/dbraw/zinc/46/40/85/1131464085.db2.gz RTRPYKVTHLRUPN-AWEZNQCLSA-N 1 2 346.500 3.849 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000738298212 1131467433 /nfs/dbraw/zinc/46/74/33/1131467433.db2.gz FQZFPLFSSKPGHH-LJQANCHMSA-N 1 2 344.405 3.874 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)c2ccc(C)cc2)c1C ZINC000738467004 1131472589 /nfs/dbraw/zinc/47/25/89/1131472589.db2.gz GQUSPMNQKTUCJD-AWEZNQCLSA-N 1 2 341.455 3.618 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000738951888 1131490805 /nfs/dbraw/zinc/49/08/05/1131490805.db2.gz LVLMNKVFBJGHJB-UHFFFAOYSA-N 1 2 339.355 3.547 20 0 EHADLO CC[C@@H](c1nn(C[N@@H+]2CC[C@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866915 1131511963 /nfs/dbraw/zinc/51/19/63/1131511963.db2.gz IGPLKYNQYWOMTM-GOEBONIOSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@@H](c1nn(C[N@H+]2CC[C@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866915 1131511967 /nfs/dbraw/zinc/51/19/67/1131511967.db2.gz IGPLKYNQYWOMTM-GOEBONIOSA-N 1 2 347.484 3.673 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000740667855 1131536605 /nfs/dbraw/zinc/53/66/05/1131536605.db2.gz FIOOIMQDBOYERL-CYBMUJFWSA-N 1 2 333.457 3.683 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858487 1131549077 /nfs/dbraw/zinc/54/90/77/1131549077.db2.gz FNHGPHJDJHBDJX-ZIAGYGMSSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858487 1131549081 /nfs/dbraw/zinc/54/90/81/1131549081.db2.gz FNHGPHJDJHBDJX-ZIAGYGMSSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861495 1131549604 /nfs/dbraw/zinc/54/96/04/1131549604.db2.gz WWWURKJESJDKQO-OLZOCXBDSA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861495 1131549610 /nfs/dbraw/zinc/54/96/10/1131549610.db2.gz WWWURKJESJDKQO-OLZOCXBDSA-N 1 2 332.473 3.621 20 0 EHADLO CO[C@@H]1CC[N@H+](Cn2ccn(-c3cccc(Cl)c3C)c2=S)C1 ZINC000751940927 1131553095 /nfs/dbraw/zinc/55/30/95/1131553095.db2.gz OVVWCAKDOCEPBQ-CYBMUJFWSA-N 1 2 337.876 3.648 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cn2ccn(-c3cccc(Cl)c3C)c2=S)C1 ZINC000751940927 1131553098 /nfs/dbraw/zinc/55/30/98/1131553098.db2.gz OVVWCAKDOCEPBQ-CYBMUJFWSA-N 1 2 337.876 3.648 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000741025592 1131570421 /nfs/dbraw/zinc/57/04/21/1131570421.db2.gz HPYSCNTZEAUFTD-ZDUSSCGKSA-N 1 2 339.304 3.897 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc(Cl)cn2)CC1 ZINC000742176267 1131697301 /nfs/dbraw/zinc/69/73/01/1131697301.db2.gz IEUJVEDYPJJFIQ-ZDUSSCGKSA-N 1 2 339.270 3.526 20 0 EHADLO CC(C)COCC[C@@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172459642 1131751372 /nfs/dbraw/zinc/75/13/72/1131751372.db2.gz CDXPKDQIYLEVQW-QGZVFWFLSA-N 1 2 333.472 3.693 20 0 EHADLO CCCCCC[C@@H](CCCC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172517139 1131765567 /nfs/dbraw/zinc/76/55/67/1131765567.db2.gz OJUBGHPBJQPMJJ-SJLPKXTDSA-N 1 2 337.508 3.623 20 0 EHADLO CCCCCC[C@@H](CCCC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172517139 1131765572 /nfs/dbraw/zinc/76/55/72/1131765572.db2.gz OJUBGHPBJQPMJJ-SJLPKXTDSA-N 1 2 337.508 3.623 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3-c3ccccn3)cc2)C1 ZINC001212669229 1131770025 /nfs/dbraw/zinc/77/00/25/1131770025.db2.gz NJRULIDCMAKNKP-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561396 1131771534 /nfs/dbraw/zinc/77/15/34/1131771534.db2.gz WEOVALKMMQGCKU-MISYRCLQSA-N 1 2 341.426 3.836 20 0 EHADLO Oc1cccc(-c2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2)c1 ZINC001212673408 1131795402 /nfs/dbraw/zinc/79/54/02/1131795402.db2.gz LJOPSYDDMWJDHU-UHFFFAOYSA-N 1 2 346.430 3.979 20 0 EHADLO CCOCc1cnc2n1CC[N@H+](C1CC(C)(C)OC(C)(C)C1)[C@H]2C ZINC001172655830 1131802657 /nfs/dbraw/zinc/80/26/57/1131802657.db2.gz BRZHDKMVVJJCOA-AWEZNQCLSA-N 1 2 335.492 3.532 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+](C1CC(C)(C)OC(C)(C)C1)[C@H]2C ZINC001172655830 1131802666 /nfs/dbraw/zinc/80/26/66/1131802666.db2.gz BRZHDKMVVJJCOA-AWEZNQCLSA-N 1 2 335.492 3.532 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)[C@@H]2C ZINC001172719571 1131820973 /nfs/dbraw/zinc/82/09/73/1131820973.db2.gz VMQSHMMWKCKJCW-DYVFJYSZSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)[C@@H]2C ZINC001172719571 1131820977 /nfs/dbraw/zinc/82/09/77/1131820977.db2.gz VMQSHMMWKCKJCW-DYVFJYSZSA-N 1 2 345.874 3.617 20 0 EHADLO C(OCC1CC1)c1nnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725672 1131825618 /nfs/dbraw/zinc/82/56/18/1131825618.db2.gz HOIHRBNFZXBSLO-UHFFFAOYSA-N 1 2 344.503 3.523 20 0 EHADLO C(OCC1CC1)c1nnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725672 1131825622 /nfs/dbraw/zinc/82/56/22/1131825622.db2.gz HOIHRBNFZXBSLO-UHFFFAOYSA-N 1 2 344.503 3.523 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1CCc3ccc(C)cc3C1)[C@H]2C ZINC001172834071 1131857459 /nfs/dbraw/zinc/85/74/59/1131857459.db2.gz RVNCNDFQUNSPKL-LPHOPBHVSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1CCc3ccc(C)cc3C1)[C@H]2C ZINC001172834071 1131857466 /nfs/dbraw/zinc/85/74/66/1131857466.db2.gz RVNCNDFQUNSPKL-LPHOPBHVSA-N 1 2 339.483 3.662 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(CCc2ccccc2)oc1=S ZINC000743350329 1131896957 /nfs/dbraw/zinc/89/69/57/1131896957.db2.gz ZHGNKQPWDPZUBY-UHFFFAOYSA-N 1 2 349.500 3.553 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(CCc2ccccc2)oc1=S ZINC000743350329 1131896964 /nfs/dbraw/zinc/89/69/64/1131896964.db2.gz ZHGNKQPWDPZUBY-UHFFFAOYSA-N 1 2 349.500 3.553 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000743365171 1131902303 /nfs/dbraw/zinc/90/23/03/1131902303.db2.gz DBTVDYSCLHPEQM-WMZOPIPTSA-N 1 2 332.513 3.691 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000743365171 1131902308 /nfs/dbraw/zinc/90/23/08/1131902308.db2.gz DBTVDYSCLHPEQM-WMZOPIPTSA-N 1 2 332.513 3.691 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397994 1131910564 /nfs/dbraw/zinc/91/05/64/1131910564.db2.gz FJVVCLAKOKSVKT-HZPDHXFCSA-N 1 2 348.541 3.967 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397994 1131910571 /nfs/dbraw/zinc/91/05/71/1131910571.db2.gz FJVVCLAKOKSVKT-HZPDHXFCSA-N 1 2 348.541 3.967 20 0 EHADLO O=c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)[nH]n1-c1ccccc1 ZINC001212693990 1131921948 /nfs/dbraw/zinc/92/19/48/1131921948.db2.gz DFUVUSRDIASIBD-UHFFFAOYSA-N 1 2 331.379 3.566 20 0 EHADLO c1cn(Cc2ccc(Nc3cnc(OCC4CCC4)nc3)cc2)c[nH+]1 ZINC001212695285 1131925550 /nfs/dbraw/zinc/92/55/50/1131925550.db2.gz WZWJGERCZYTSQK-UHFFFAOYSA-N 1 2 335.411 3.644 20 0 EHADLO CC(C)c1nc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn2n1 ZINC001212695879 1131929289 /nfs/dbraw/zinc/92/92/89/1131929289.db2.gz XCYQSQUJLFHSLZ-UHFFFAOYSA-N 1 2 332.411 3.841 20 0 EHADLO CCOC(=O)Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212700042 1131936023 /nfs/dbraw/zinc/93/60/23/1131936023.db2.gz QRPLRUNSMPCUQP-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO Cc1ccc(F)c(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000743563890 1131942103 /nfs/dbraw/zinc/94/21/03/1131942103.db2.gz TZTSHSVTSQCBOY-UHFFFAOYSA-N 1 2 349.500 3.710 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1C ZINC000743575687 1131945242 /nfs/dbraw/zinc/94/52/42/1131945242.db2.gz WPAHFILYRKFGCH-KSSFIOAISA-N 1 2 339.439 3.610 20 0 EHADLO C[C@H]1CC[C@H]([N@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076821 1131957232 /nfs/dbraw/zinc/95/72/32/1131957232.db2.gz PJZMYTILQZHGQV-RDJZCZTQSA-N 1 2 346.471 3.589 20 0 EHADLO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076821 1131957238 /nfs/dbraw/zinc/95/72/38/1131957238.db2.gz PJZMYTILQZHGQV-RDJZCZTQSA-N 1 2 346.471 3.589 20 0 EHADLO COC(=O)[C@H](COC(C)(C)C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173115365 1131972297 /nfs/dbraw/zinc/97/22/97/1131972297.db2.gz WQXJCJSFUFGAOM-INIZCTEOSA-N 1 2 325.493 3.826 20 0 EHADLO COc1cccc2c1C[C@@H]([N@H+](C)Cc1csc(C(C)C)n1)CO2 ZINC001173163423 1131990092 /nfs/dbraw/zinc/99/00/92/1131990092.db2.gz FGCXTNJRJLVNBQ-CQSZACIVSA-N 1 2 332.469 3.711 20 0 EHADLO COc1cccc2c1C[C@@H]([N@@H+](C)Cc1csc(C(C)C)n1)CO2 ZINC001173163423 1131990096 /nfs/dbraw/zinc/99/00/96/1131990096.db2.gz FGCXTNJRJLVNBQ-CQSZACIVSA-N 1 2 332.469 3.711 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(OCc2ccccc2)ccn1 ZINC000744367696 1132077962 /nfs/dbraw/zinc/07/79/62/1132077962.db2.gz NTWRXKWUNGABME-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000744435188 1132091042 /nfs/dbraw/zinc/09/10/42/1132091042.db2.gz UBMPQOZGUPHJRT-HNNXBMFYSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000744435188 1132091049 /nfs/dbraw/zinc/09/10/49/1132091049.db2.gz UBMPQOZGUPHJRT-HNNXBMFYSA-N 1 2 333.501 3.853 20 0 EHADLO Cc1nc2sn(C[NH+]3CCC4(CCCC4)CC3)c(=O)c2c(C)c1C ZINC000744434495 1132097574 /nfs/dbraw/zinc/09/75/74/1132097574.db2.gz NCVUGDXQZKOUKK-UHFFFAOYSA-N 1 2 345.512 3.997 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444491 1132101270 /nfs/dbraw/zinc/10/12/70/1132101270.db2.gz XMFNWJBHXNBNAL-MAUKXSAKSA-N 1 2 348.446 3.961 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444491 1132101275 /nfs/dbraw/zinc/10/12/75/1132101275.db2.gz XMFNWJBHXNBNAL-MAUKXSAKSA-N 1 2 348.446 3.961 20 0 EHADLO Ic1cc(Nc2ccsc2)cn2cc[nH+]c12 ZINC001173818170 1132144332 /nfs/dbraw/zinc/14/43/32/1132144332.db2.gz BOIFGVGENCUTHR-UHFFFAOYSA-N 1 2 341.177 3.744 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(C(C)=O)c1 ZINC001173899273 1132166292 /nfs/dbraw/zinc/16/62/92/1132166292.db2.gz FJFYWMDUWWGYRG-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO CCC(C)(C)CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962740 1132172651 /nfs/dbraw/zinc/17/26/51/1132172651.db2.gz CKGWGZZJUSLSKU-SFHVURJKSA-N 1 2 333.472 3.554 20 0 EHADLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)c(OC)c1 ZINC001173890053 1132181643 /nfs/dbraw/zinc/18/16/43/1132181643.db2.gz JWXRGAKSCLJDJZ-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO Cc1nc(C)c(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000745105142 1132198270 /nfs/dbraw/zinc/19/82/70/1132198270.db2.gz RDYZPXUGUGDREF-QGZVFWFLSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nc(C)c(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000745105142 1132198275 /nfs/dbraw/zinc/19/82/75/1132198275.db2.gz RDYZPXUGUGDREF-QGZVFWFLSA-N 1 2 344.480 3.858 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174063845 1132213397 /nfs/dbraw/zinc/21/33/97/1132213397.db2.gz GCYAKGUQCACSFE-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OC)cc1F ZINC001174145466 1132253280 /nfs/dbraw/zinc/25/32/80/1132253280.db2.gz PXYSNAWNWXWFMH-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC001174154214 1132257567 /nfs/dbraw/zinc/25/75/67/1132257567.db2.gz KKQAMPDCCIXENQ-UHFFFAOYSA-N 1 2 337.379 3.747 20 0 EHADLO CCOc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)cc(C)[nH+]1 ZINC001174270020 1132306840 /nfs/dbraw/zinc/30/68/40/1132306840.db2.gz ZTLLRAHCHRNRJE-UHFFFAOYSA-N 1 2 334.441 3.714 20 0 EHADLO Cn1cnc2ccc(Nc3cc(Br)cn4cc[nH+]c34)cc21 ZINC001174346047 1132325509 /nfs/dbraw/zinc/32/55/09/1132325509.db2.gz IJADJRFAXDBWGT-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO c1nc2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2s1 ZINC001174367311 1132338034 /nfs/dbraw/zinc/33/80/34/1132338034.db2.gz BSHXBUBRCKKEFQ-UHFFFAOYSA-N 1 2 325.437 3.872 20 0 EHADLO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1F ZINC001174384506 1132345346 /nfs/dbraw/zinc/34/53/46/1132345346.db2.gz YADNTQARAWGAEK-UHFFFAOYSA-N 1 2 326.375 3.860 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(N4C(=O)C=CC4=O)cc3)ccc21 ZINC001174385971 1132346048 /nfs/dbraw/zinc/34/60/48/1132346048.db2.gz WWZLTYJHKIVMCA-UHFFFAOYSA-N 1 2 346.390 3.790 20 0 EHADLO Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1OC1CCOCC1 ZINC001174414031 1132367598 /nfs/dbraw/zinc/36/75/98/1132367598.db2.gz TULVNPIPEDVDTI-UHFFFAOYSA-N 1 2 327.359 3.955 20 0 EHADLO COC(=O)c1ccc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523540 1132400150 /nfs/dbraw/zinc/40/01/50/1132400150.db2.gz NKKWOJUSWWWKGT-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO CN1Cc2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc2NC1=O ZINC001174524714 1132401371 /nfs/dbraw/zinc/40/13/71/1132401371.db2.gz ORSCDKFNBQNYBM-UHFFFAOYSA-N 1 2 337.427 3.793 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000189096668 1132441287 /nfs/dbraw/zinc/44/12/87/1132441287.db2.gz XHWHOHAFMMBBPV-LJQANCHMSA-N 1 2 337.398 3.582 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000189096668 1132441294 /nfs/dbraw/zinc/44/12/94/1132441294.db2.gz XHWHOHAFMMBBPV-LJQANCHMSA-N 1 2 337.398 3.582 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc(N4CCOCC4)cc3)cc2)c[nH+]1 ZINC001174708881 1132448174 /nfs/dbraw/zinc/44/81/74/1132448174.db2.gz JKBPFYISXJAISG-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc2nccnc21 ZINC001174772532 1132461531 /nfs/dbraw/zinc/46/15/31/1132461531.db2.gz WAOVAFXJLHTOFM-HNNXBMFYSA-N 1 2 343.390 3.514 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193315811 1132480152 /nfs/dbraw/zinc/48/01/52/1132480152.db2.gz AEEATIPPDHPMGW-MRXNPFEDSA-N 1 2 349.862 3.908 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193315811 1132480155 /nfs/dbraw/zinc/48/01/55/1132480155.db2.gz AEEATIPPDHPMGW-MRXNPFEDSA-N 1 2 349.862 3.908 20 0 EHADLO COc1cc(F)c(Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC001174926438 1132507922 /nfs/dbraw/zinc/50/79/22/1132507922.db2.gz MBUNMBLWRRFUJI-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO c1ccc(-c2ncccc2Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174972754 1132509366 /nfs/dbraw/zinc/50/93/66/1132509366.db2.gz CDYHVMGKOARUMF-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Fc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC001174973819 1132509388 /nfs/dbraw/zinc/50/93/88/1132509388.db2.gz FBIPVNLZPXHDKM-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CCCCOc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174976703 1132511686 /nfs/dbraw/zinc/51/16/86/1132511686.db2.gz DGAMECUHLJFQTN-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766376070 1132526296 /nfs/dbraw/zinc/52/62/96/1132526296.db2.gz XBMSYOUYIPAFIL-BZUAXINKSA-N 1 2 330.501 3.959 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766376070 1132526302 /nfs/dbraw/zinc/52/63/02/1132526302.db2.gz XBMSYOUYIPAFIL-BZUAXINKSA-N 1 2 330.501 3.959 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407154 1132531369 /nfs/dbraw/zinc/53/13/69/1132531369.db2.gz GZHHEVYTGNZFPO-ZBFHGGJFSA-N 1 2 335.455 3.964 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C(C)(C)C3CCCCC3)[nH+]c12 ZINC000766460246 1132546399 /nfs/dbraw/zinc/54/63/99/1132546399.db2.gz HKQSNUFYTHLOAL-UHFFFAOYSA-N 1 2 327.472 3.908 20 0 EHADLO CCOc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1F ZINC001175050790 1132550280 /nfs/dbraw/zinc/55/02/80/1132550280.db2.gz NCXZKRLWIFUHTO-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO CC(C)c1cc(CNc2c(Br)ccc3[nH+]ccn32)on1 ZINC001168832839 1132574077 /nfs/dbraw/zinc/57/40/77/1132574077.db2.gz VWHJVLRFWPJKSJ-UHFFFAOYSA-N 1 2 335.205 3.820 20 0 EHADLO Cc1cc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)[nH+]c2cc[nH]c21 ZINC001168899116 1132591985 /nfs/dbraw/zinc/59/19/85/1132591985.db2.gz OYATZZADSWVSNA-INIZCTEOSA-N 1 2 334.423 3.588 20 0 EHADLO FC(F)(F)C1(c2ccc(NCCn3nnc4ccccc43)[nH+]c2)CC1 ZINC001168927083 1132599044 /nfs/dbraw/zinc/59/90/44/1132599044.db2.gz ISQVDTDZBDKOAJ-UHFFFAOYSA-N 1 2 347.344 3.532 20 0 EHADLO CC(C)OC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175258777 1132619101 /nfs/dbraw/zinc/61/91/01/1132619101.db2.gz SCXUNBLZRVYDFF-UHFFFAOYSA-N 1 2 325.412 3.991 20 0 EHADLO c1cnn(-c2ccccc2CNc2cc(-c3ccncc3)cc[nH+]2)c1 ZINC001168961190 1132620354 /nfs/dbraw/zinc/62/03/54/1132620354.db2.gz XDZMWVCGRNSOGF-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO CN(C)c1ccc(Nc2ccc(Br)c(F)c2F)c[nH+]1 ZINC001175345166 1132627928 /nfs/dbraw/zinc/62/79/28/1132627928.db2.gz NPPTYKRBHMHARB-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO COC(=O)c1cccc2c(Nc3ccc(N4CCCC4)[nH+]c3)ccnc12 ZINC001175347100 1132628567 /nfs/dbraw/zinc/62/85/67/1132628567.db2.gz BLZGETSWNZKDLC-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO Fc1cnc(Br)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350137 1132645549 /nfs/dbraw/zinc/64/55/49/1132645549.db2.gz ULOZVAUGVKHXNT-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001169068119 1132649415 /nfs/dbraw/zinc/64/94/15/1132649415.db2.gz LFVUDADFBWQAQD-RXVVDRJESA-N 1 2 341.451 3.523 20 0 EHADLO CCCn1ncnc1C[NH+]1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001175445330 1132672656 /nfs/dbraw/zinc/67/26/56/1132672656.db2.gz XUYARRWQIATPQC-UHFFFAOYSA-N 1 2 332.879 3.796 20 0 EHADLO CC(C)Oc1ccccc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169158554 1132681548 /nfs/dbraw/zinc/68/15/48/1132681548.db2.gz JUNMFNZUDXFEMJ-UHFFFAOYSA-N 1 2 349.434 3.767 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@H]3C[C@H](C)c4ccccc43)nc2[nH]1 ZINC001169364771 1132733591 /nfs/dbraw/zinc/73/35/91/1132733591.db2.gz MHXDZJCGQRTCNW-NHYWBVRUSA-N 1 2 336.395 3.747 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(-c3ccncn3)cc2)c[nH+]1 ZINC001175713576 1132740110 /nfs/dbraw/zinc/74/01/10/1132740110.db2.gz FHEFNQYNMFBFSR-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO Cc1cc(=O)oc2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)ccc12 ZINC001175712758 1132740575 /nfs/dbraw/zinc/74/05/75/1132740575.db2.gz KBZHJDPIZQWLOP-UHFFFAOYSA-N 1 2 335.285 3.841 20 0 EHADLO COC(=O)c1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1Cl ZINC001175714638 1132741127 /nfs/dbraw/zinc/74/11/27/1132741127.db2.gz UJWJCWOTCVUZLA-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO Cc1cc(NCc2nn(C)cc2Br)[nH+]cc1C(F)(F)F ZINC001169387651 1132744100 /nfs/dbraw/zinc/74/41/00/1132744100.db2.gz TYKWSURJUQRZOC-UHFFFAOYSA-N 1 2 349.154 3.517 20 0 EHADLO CCN(C)c1cc(N[C@H](CCO)c2cccc3ccccc32)[nH+]cn1 ZINC001169421352 1132749900 /nfs/dbraw/zinc/74/99/00/1132749900.db2.gz AFARPPBEZPYIFK-GOSISDBHSA-N 1 2 336.439 3.622 20 0 EHADLO CCN(C)c1cc(N[C@H](CCO)c2cccc3ccccc32)nc[nH+]1 ZINC001169421352 1132749905 /nfs/dbraw/zinc/74/99/05/1132749905.db2.gz AFARPPBEZPYIFK-GOSISDBHSA-N 1 2 336.439 3.622 20 0 EHADLO CC(C)[C@H](CC(=O)NCCCN(C)c1cccc[nH+]1)c1ccccc1 ZINC001175709055 1132754691 /nfs/dbraw/zinc/75/46/91/1132754691.db2.gz XAOLNKYDLDNVTR-IBGZPJMESA-N 1 2 339.483 3.854 20 0 EHADLO Cc1nc(Cl)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c(Cl)n1 ZINC001175706756 1132755069 /nfs/dbraw/zinc/75/50/69/1132755069.db2.gz SGBZZLSAQYDJSS-UHFFFAOYSA-N 1 2 338.120 3.831 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(-c3ccccc3O)no2)c[nH+]1 ZINC001175710936 1132755706 /nfs/dbraw/zinc/75/57/06/1132755706.db2.gz OVTHSRRWUIZZLO-UHFFFAOYSA-N 1 2 336.273 3.787 20 0 EHADLO O[C@H]1c2ccccc2CC[C@H]1Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169624714 1132799549 /nfs/dbraw/zinc/79/95/49/1132799549.db2.gz BAFDOPYMKZZGGS-CTNGQTDRSA-N 1 2 347.418 3.516 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](Cc1nc(C)c(C)o1)CC2 ZINC001176068522 1132841038 /nfs/dbraw/zinc/84/10/38/1132841038.db2.gz AGDRAYSWFXSUCH-HXUWFJFHSA-N 1 2 342.439 3.818 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@@H+](Cc1nc(C)c(C)o1)CC2 ZINC001176068522 1132841049 /nfs/dbraw/zinc/84/10/49/1132841049.db2.gz AGDRAYSWFXSUCH-HXUWFJFHSA-N 1 2 342.439 3.818 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2c(cnn2C(=O)OC(C)(C)C)c1 ZINC001176121980 1132852804 /nfs/dbraw/zinc/85/28/04/1132852804.db2.gz WSJPDYPQONNZAS-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2c(c1)ncn2C(=O)OC(C)(C)C ZINC001176122969 1132853612 /nfs/dbraw/zinc/85/36/12/1132853612.db2.gz DTSGLRPMBMKIEA-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000766827227 1132854137 /nfs/dbraw/zinc/85/41/37/1132854137.db2.gz IBBBXBZIQZXEAD-UHFFFAOYSA-N 1 2 338.238 3.895 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)[nH+]c1C ZINC001176211700 1132875022 /nfs/dbraw/zinc/87/50/22/1132875022.db2.gz WFNPMZCCQCKVSK-UHFFFAOYSA-N 1 2 343.390 3.889 20 0 EHADLO CCNc1nc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cs1 ZINC001169879134 1132879374 /nfs/dbraw/zinc/87/93/74/1132879374.db2.gz GNRORRRMMQOYMP-VIFPVBQESA-N 1 2 341.278 3.583 20 0 EHADLO OC[C@@H](CNc1cc[nH+]c(OCc2ccccc2)c1)Cc1ccccc1 ZINC001169897046 1132890054 /nfs/dbraw/zinc/89/00/54/1132890054.db2.gz ALDSYMBKAFLLTA-HXUWFJFHSA-N 1 2 348.446 3.924 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001169903416 1132893674 /nfs/dbraw/zinc/89/36/74/1132893674.db2.gz CUBYXONKOKWRJY-QGZVFWFLSA-N 1 2 341.499 3.884 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103457815 1132899835 /nfs/dbraw/zinc/89/98/35/1132899835.db2.gz SIVRWWDBXGXPHD-UHFFFAOYSA-N 1 2 327.542 3.777 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103457815 1132899846 /nfs/dbraw/zinc/89/98/46/1132899846.db2.gz SIVRWWDBXGXPHD-UHFFFAOYSA-N 1 2 327.542 3.777 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccn(-c2ccc(Cl)cc2)n1 ZINC000767099902 1132949936 /nfs/dbraw/zinc/94/99/36/1132949936.db2.gz LWCDFDDLQJRDHD-UHFFFAOYSA-N 1 2 346.843 3.828 20 0 EHADLO c1c[nH+]c(N2CCCC2)c(Nc2ccc3nc(C4CCC4)nn3c2)c1 ZINC001176749090 1132991799 /nfs/dbraw/zinc/99/17/99/1132991799.db2.gz UAPYKBVXTHORRD-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO Cc1nc(Nc2ccc[nH+]c2N2CCCC2)ccc1Br ZINC001176744711 1132991953 /nfs/dbraw/zinc/99/19/53/1132991953.db2.gz YBKOTMFYGGIRKZ-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Fc1cccc(Cn2nccc2Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176750056 1132992641 /nfs/dbraw/zinc/99/26/41/1132992641.db2.gz ODJHJLJHCMHFPL-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO COc1cccc(-n2ncc(C)c2Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176750493 1132992657 /nfs/dbraw/zinc/99/26/57/1132992657.db2.gz WFRQIICKOBCKBO-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO c1cc(Nc2ccccc2C[NH+]2CCOCC2)n(Cc2ccccc2)n1 ZINC001176705993 1132994490 /nfs/dbraw/zinc/99/44/90/1132994490.db2.gz SHQIVGAGYCYMQN-UHFFFAOYSA-N 1 2 348.450 3.507 20 0 EHADLO Nc1ccc(-c2cc3cc(NC(=O)Cc4c[nH]c[nH+]4)ccc3o2)cc1 ZINC001176833472 1133004547 /nfs/dbraw/zinc/00/45/47/1133004547.db2.gz LYUCENMJZDHPAR-UHFFFAOYSA-N 1 2 332.363 3.586 20 0 EHADLO CN(C)c1cc(COC(=O)c2nc(-c3ccccc3)cs2)cc[nH+]1 ZINC000767485266 1133008811 /nfs/dbraw/zinc/00/88/11/1133008811.db2.gz YURCAGVSWHAYKI-UHFFFAOYSA-N 1 2 339.420 3.628 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767583241 1133018774 /nfs/dbraw/zinc/01/87/74/1133018774.db2.gz KZXVOPFWIMQRMD-UHFFFAOYSA-N 1 2 342.439 3.783 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177012337 1133021252 /nfs/dbraw/zinc/02/12/52/1133021252.db2.gz AXKCTSSQVLQFBG-BTZGUFSASA-N 1 2 338.426 3.792 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@@H+](CCCS(=O)(=O)c1ccccc1)C2 ZINC001177033573 1133024124 /nfs/dbraw/zinc/02/41/24/1133024124.db2.gz JVNTVSOMQRTRHG-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@H+](CCCS(=O)(=O)c1ccccc1)C2 ZINC001177033573 1133024131 /nfs/dbraw/zinc/02/41/31/1133024131.db2.gz JVNTVSOMQRTRHG-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO c1nc(C[N@@H+]2CCCC[C@H]2C2OCCO2)sc1-c1ccccc1 ZINC000746487173 1133047570 /nfs/dbraw/zinc/04/75/70/1133047570.db2.gz BFYHDANYNPSKGS-HNNXBMFYSA-N 1 2 330.453 3.538 20 0 EHADLO c1nc(C[N@H+]2CCCC[C@H]2C2OCCO2)sc1-c1ccccc1 ZINC000746487173 1133047575 /nfs/dbraw/zinc/04/75/75/1133047575.db2.gz BFYHDANYNPSKGS-HNNXBMFYSA-N 1 2 330.453 3.538 20 0 EHADLO CN(CCCn1cc[nH+]c1)Cn1c(=S)snc1-c1ccccc1 ZINC000767760325 1133048898 /nfs/dbraw/zinc/04/88/98/1133048898.db2.gz VUVAFINRXPTQKD-UHFFFAOYSA-N 1 2 345.497 3.517 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767795750 1133055925 /nfs/dbraw/zinc/05/59/25/1133055925.db2.gz KYYKIAYIKFRZRW-ZACQAIPSSA-N 1 2 332.492 3.668 20 0 EHADLO CCCCCC(C)(C)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767842712 1133061580 /nfs/dbraw/zinc/06/15/80/1133061580.db2.gz ISHXVEAJRPGASP-MRXNPFEDSA-N 1 2 334.508 3.916 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cn2ccc(Br)n2)c1 ZINC000767981213 1133077125 /nfs/dbraw/zinc/07/71/25/1133077125.db2.gz IGISAVNIPBTBMN-UHFFFAOYSA-N 1 2 338.249 3.522 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cn2ccc(Br)n2)c1 ZINC000767981213 1133077127 /nfs/dbraw/zinc/07/71/27/1133077127.db2.gz IGISAVNIPBTBMN-UHFFFAOYSA-N 1 2 338.249 3.522 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC001204202373 1133095658 /nfs/dbraw/zinc/09/56/58/1133095658.db2.gz BAPUDCMEQHBBCX-SFHVURJKSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204202373 1133095667 /nfs/dbraw/zinc/09/56/67/1133095667.db2.gz BAPUDCMEQHBBCX-SFHVURJKSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768133222 1133100032 /nfs/dbraw/zinc/10/00/32/1133100032.db2.gz SXWYUKGFAZNRFK-QGZVFWFLSA-N 1 2 325.456 3.638 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCOc1ccc(C(C)C)cc1)CCN2 ZINC001169989316 1133107897 /nfs/dbraw/zinc/10/78/97/1133107897.db2.gz GEUGNOUFYJGOKZ-UHFFFAOYSA-N 1 2 339.439 3.741 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001177892799 1133110306 /nfs/dbraw/zinc/11/03/06/1133110306.db2.gz BQWOHRXZWVXSHA-UHFFFAOYSA-N 1 2 336.222 3.940 20 0 EHADLO COCC[N@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000768241186 1133112163 /nfs/dbraw/zinc/11/21/63/1133112163.db2.gz MABXBHCWNLSWBC-UHFFFAOYSA-N 1 2 328.243 3.566 20 0 EHADLO COCC[N@@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000768241186 1133112165 /nfs/dbraw/zinc/11/21/65/1133112165.db2.gz MABXBHCWNLSWBC-UHFFFAOYSA-N 1 2 328.243 3.566 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)cs1 ZINC001177931492 1133116889 /nfs/dbraw/zinc/11/68/89/1133116889.db2.gz BXTJGLLUISDAOD-SNVBAGLBSA-N 1 2 347.415 3.533 20 0 EHADLO CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001177998091 1133122915 /nfs/dbraw/zinc/12/29/15/1133122915.db2.gz NEBKHJIMYLQMMH-INIZCTEOSA-N 1 2 341.455 3.536 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001177995207 1133127010 /nfs/dbraw/zinc/12/70/10/1133127010.db2.gz VVQLWFKKNJKWBA-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC001177994193 1133127212 /nfs/dbraw/zinc/12/72/12/1133127212.db2.gz SKUONFONHAVEJU-UHFFFAOYSA-N 1 2 344.418 3.984 20 0 EHADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(c1ccccc1)c1ccccc1 ZINC001178101193 1133131871 /nfs/dbraw/zinc/13/18/71/1133131871.db2.gz RZBCBARXNVPBNP-LJQANCHMSA-N 1 2 345.446 3.694 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1)O[C@@H](C)C2 ZINC000768429962 1133138130 /nfs/dbraw/zinc/13/81/30/1133138130.db2.gz PLRXDEUWUMZXTH-YVEFUNNKSA-N 1 2 328.412 3.652 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cc(C)on1)O[C@@H](C)C2 ZINC000768429962 1133138133 /nfs/dbraw/zinc/13/81/33/1133138133.db2.gz PLRXDEUWUMZXTH-YVEFUNNKSA-N 1 2 328.412 3.652 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542098 1133152746 /nfs/dbraw/zinc/15/27/46/1133152746.db2.gz IQAUSPPAEJAJBI-KBPBESRZSA-N 1 2 336.501 3.543 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542098 1133152749 /nfs/dbraw/zinc/15/27/49/1133152749.db2.gz IQAUSPPAEJAJBI-KBPBESRZSA-N 1 2 336.501 3.543 20 0 EHADLO CCCN1C(=O)CCc2cc(NCc3cccc4[nH+]ccn43)ccc21 ZINC001178311079 1133158881 /nfs/dbraw/zinc/15/88/81/1133158881.db2.gz XORKWJGQUJBAPZ-UHFFFAOYSA-N 1 2 334.423 3.636 20 0 EHADLO C[C@H](C(=O)Nc1cccc2c1[C@H](C)CC2(C)C)[NH+]1CCSCC1 ZINC001178500335 1133169714 /nfs/dbraw/zinc/16/97/14/1133169714.db2.gz XYKSVKMDKLYCML-ZIAGYGMSSA-N 1 2 332.513 3.847 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922571 1133214003 /nfs/dbraw/zinc/21/40/03/1133214003.db2.gz PKVQDWLYZCVDKO-UHFFFAOYSA-N 1 2 343.393 3.664 20 0 EHADLO CC1(C)C[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)CCS1 ZINC001179042749 1133222391 /nfs/dbraw/zinc/22/23/91/1133222391.db2.gz OIUGONZCTNEATP-HNNXBMFYSA-N 1 2 341.480 3.651 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769164957 1133237841 /nfs/dbraw/zinc/23/78/41/1133237841.db2.gz VZTOISUZSANVTE-OAHLLOKOSA-N 1 2 337.467 3.968 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2occc2Br)CC1 ZINC000769315068 1133259866 /nfs/dbraw/zinc/25/98/66/1133259866.db2.gz FLPTZVFWLGGEBQ-UHFFFAOYSA-N 1 2 344.249 3.596 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333772 1133264859 /nfs/dbraw/zinc/26/48/59/1133264859.db2.gz LALKYPGDQTVHHF-LBPRGKRZSA-N 1 2 344.377 3.545 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333772 1133264865 /nfs/dbraw/zinc/26/48/65/1133264865.db2.gz LALKYPGDQTVHHF-LBPRGKRZSA-N 1 2 344.377 3.545 20 0 EHADLO CN(CC[N@H+](C)Cc1c(Cl)nc2ccccn21)c1ccccc1 ZINC000769380623 1133273308 /nfs/dbraw/zinc/27/33/08/1133273308.db2.gz KUAKEQKHZFXMDV-UHFFFAOYSA-N 1 2 328.847 3.556 20 0 EHADLO CN(CC[N@@H+](C)Cc1c(Cl)nc2ccccn21)c1ccccc1 ZINC000769380623 1133273314 /nfs/dbraw/zinc/27/33/14/1133273314.db2.gz KUAKEQKHZFXMDV-UHFFFAOYSA-N 1 2 328.847 3.556 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000769390259 1133275225 /nfs/dbraw/zinc/27/52/25/1133275225.db2.gz SJKIXFDYYMEYMM-UHFFFAOYSA-N 1 2 347.455 3.609 20 0 EHADLO O=C1CC2(CN1)CC[NH+](Cc1c(Cl)ccc(Cl)c1Cl)CC2 ZINC000769445109 1133283066 /nfs/dbraw/zinc/28/30/66/1133283066.db2.gz CCUKDDXYLONQBX-UHFFFAOYSA-N 1 2 347.673 3.749 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cnc1Cl ZINC000769450857 1133292567 /nfs/dbraw/zinc/29/25/67/1133292567.db2.gz BKEBJWBQBTXZEY-KRWDZBQOSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cnc1Cl ZINC000769450857 1133292572 /nfs/dbraw/zinc/29/25/72/1133292572.db2.gz BKEBJWBQBTXZEY-KRWDZBQOSA-N 1 2 343.858 3.671 20 0 EHADLO C[C@H]1C[N@H+](Cc2n[nH]cc2Br)CC[C@@H]1c1ccccc1 ZINC001179878219 1133298139 /nfs/dbraw/zinc/29/81/39/1133298139.db2.gz MZTRXBKQEFMFHC-JSGCOSHPSA-N 1 2 334.261 3.798 20 0 EHADLO C[C@H]1C[N@@H+](Cc2n[nH]cc2Br)CC[C@@H]1c1ccccc1 ZINC001179878219 1133298142 /nfs/dbraw/zinc/29/81/42/1133298142.db2.gz MZTRXBKQEFMFHC-JSGCOSHPSA-N 1 2 334.261 3.798 20 0 EHADLO CC[N@H+](CCS(C)(=O)=O)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000769528571 1133309564 /nfs/dbraw/zinc/30/95/64/1133309564.db2.gz RTBTUEMTHYRZIZ-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000769528571 1133309567 /nfs/dbraw/zinc/30/95/67/1133309567.db2.gz RTBTUEMTHYRZIZ-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO COc1ccc(SCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC001180047662 1133315390 /nfs/dbraw/zinc/31/53/90/1133315390.db2.gz LZPPJJSGEIJJOD-LJQANCHMSA-N 1 2 347.455 4.000 20 0 EHADLO COc1ccc(SCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC001180047662 1133315394 /nfs/dbraw/zinc/31/53/94/1133315394.db2.gz LZPPJJSGEIJJOD-LJQANCHMSA-N 1 2 347.455 4.000 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001180234652 1133349674 /nfs/dbraw/zinc/34/96/74/1133349674.db2.gz RJKWCPIHJDTEGY-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001180234652 1133349678 /nfs/dbraw/zinc/34/96/78/1133349678.db2.gz RJKWCPIHJDTEGY-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO COc1ccc(Cl)c2c1N(C(=O)c1cccc3[nH+]ccn31)CCC2 ZINC000770079002 1133385355 /nfs/dbraw/zinc/38/53/55/1133385355.db2.gz PYQKWPNUBZYZLK-UHFFFAOYSA-N 1 2 341.798 3.589 20 0 EHADLO CC[N@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001180697844 1133407993 /nfs/dbraw/zinc/40/79/93/1133407993.db2.gz KINAEWOHNGCWKN-AGUYFDCRSA-N 1 2 332.435 3.752 20 0 EHADLO CC[N@@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001180697844 1133407996 /nfs/dbraw/zinc/40/79/96/1133407996.db2.gz KINAEWOHNGCWKN-AGUYFDCRSA-N 1 2 332.435 3.752 20 0 EHADLO Cc1ccc([C@H]2CSCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770425949 1133427536 /nfs/dbraw/zinc/42/75/36/1133427536.db2.gz LPWZKNFFHCEBGK-QGZVFWFLSA-N 1 2 337.448 3.573 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@H](C)Cc2ccccc2C)c(N(C)C)[nH+]1 ZINC000770610727 1133453517 /nfs/dbraw/zinc/45/35/17/1133453517.db2.gz IATWLEHUDNGRSV-MRXNPFEDSA-N 1 2 340.471 3.859 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770922977 1133484484 /nfs/dbraw/zinc/48/44/84/1133484484.db2.gz VDKHSPZSFKMRKB-CYBMUJFWSA-N 1 2 344.798 3.807 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770921317 1133484796 /nfs/dbraw/zinc/48/47/96/1133484796.db2.gz AHDFYLKMEKYHIJ-OAHLLOKOSA-N 1 2 338.407 3.968 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921932 1133484909 /nfs/dbraw/zinc/48/49/09/1133484909.db2.gz GHNMNVXKFXGLSJ-CQSZACIVSA-N 1 2 326.371 3.786 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](O)C2)cc1Cl ZINC001181505404 1133494937 /nfs/dbraw/zinc/49/49/37/1133494937.db2.gz FUJPENAYFZZKQN-XHDPSFHLSA-N 1 2 332.271 3.983 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](O)C2)cc1Cl ZINC001181505404 1133494939 /nfs/dbraw/zinc/49/49/39/1133494939.db2.gz FUJPENAYFZZKQN-XHDPSFHLSA-N 1 2 332.271 3.983 20 0 EHADLO Cc1c(F)cccc1CC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001181708466 1133513859 /nfs/dbraw/zinc/51/38/59/1133513859.db2.gz VKUQSOMVMLDZFD-UHFFFAOYSA-N 1 2 337.398 3.521 20 0 EHADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001181880402 1133545703 /nfs/dbraw/zinc/54/57/03/1133545703.db2.gz VACNSZYTHBJULM-CQSZACIVSA-N 1 2 348.340 3.507 20 0 EHADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001181880402 1133545707 /nfs/dbraw/zinc/54/57/07/1133545707.db2.gz VACNSZYTHBJULM-CQSZACIVSA-N 1 2 348.340 3.507 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1CC(F)(C2CC2)C1)c1ccccc1Cl ZINC001182219500 1133599028 /nfs/dbraw/zinc/59/90/28/1133599028.db2.gz UDIBMDLULJGWBT-INIZCTEOSA-N 1 2 338.854 3.683 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[C@H](F)C1)c1ccccc1Cl ZINC001182225779 1133599968 /nfs/dbraw/zinc/59/99/68/1133599968.db2.gz YNCHETHRTXEWHB-XEZPLFJOSA-N 1 2 326.843 3.587 20 0 EHADLO O=C(Nc1cnoc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246382 1133600620 /nfs/dbraw/zinc/60/06/20/1133600620.db2.gz WPEGXORQVWULCH-MRXNPFEDSA-N 1 2 333.819 3.884 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC001182282830 1133615586 /nfs/dbraw/zinc/61/55/86/1133615586.db2.gz ATGOZUVOQVHVMC-MOPGFXCFSA-N 1 2 349.409 3.774 20 0 EHADLO Cc1nc(F)ccc1C[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000785509783 1133713231 /nfs/dbraw/zinc/71/32/31/1133713231.db2.gz RCBGQBNIPVZNGG-LJQANCHMSA-N 1 2 325.362 3.942 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)[C@H]1c1ccccc1 ZINC000785516109 1133716448 /nfs/dbraw/zinc/71/64/48/1133716448.db2.gz GCCJYFLIFOPPMF-FUHWJXTLSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)[C@H]1c1ccccc1 ZINC000785516109 1133716451 /nfs/dbraw/zinc/71/64/51/1133716451.db2.gz GCCJYFLIFOPPMF-FUHWJXTLSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1cccc(Oc2ccccc2)c1 ZINC001182741326 1133727785 /nfs/dbraw/zinc/72/77/85/1133727785.db2.gz USTGLDLGWFLLCH-MRXNPFEDSA-N 1 2 349.434 3.675 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@H+](Cc2ccc(C)c(Cl)c2)CC12CCC2 ZINC001182854773 1133740075 /nfs/dbraw/zinc/74/00/75/1133740075.db2.gz KZYDPIJRCBAYEL-GOSISDBHSA-N 1 2 339.838 3.906 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@@H+](Cc2ccc(C)c(Cl)c2)CC12CCC2 ZINC001182854773 1133740080 /nfs/dbraw/zinc/74/00/80/1133740080.db2.gz KZYDPIJRCBAYEL-GOSISDBHSA-N 1 2 339.838 3.906 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC000785731395 1133742750 /nfs/dbraw/zinc/74/27/50/1133742750.db2.gz MHFWHSABAKUVEX-OKILXGFUSA-N 1 2 330.453 3.726 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC000785731395 1133742752 /nfs/dbraw/zinc/74/27/52/1133742752.db2.gz MHFWHSABAKUVEX-OKILXGFUSA-N 1 2 330.453 3.726 20 0 EHADLO CCc1nc(C)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001183018857 1133761365 /nfs/dbraw/zinc/76/13/65/1133761365.db2.gz STHJLRCOIPGMHO-GFCCVEGCSA-N 1 2 340.452 3.691 20 0 EHADLO COC(=O)c1ccc(-c2ccc(C[N@H+](C)Cc3ccns3)o2)cc1 ZINC001183364164 1133794723 /nfs/dbraw/zinc/79/47/23/1133794723.db2.gz XIBVTCDAOBZEOV-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(-c2ccc(C[N@@H+](C)Cc3ccns3)o2)cc1 ZINC001183364164 1133794727 /nfs/dbraw/zinc/79/47/27/1133794727.db2.gz XIBVTCDAOBZEOV-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758856 1133847891 /nfs/dbraw/zinc/84/78/91/1133847891.db2.gz XVKRLPYURFSHAP-VQTJNVASSA-N 1 2 338.426 3.668 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758856 1133847900 /nfs/dbraw/zinc/84/79/00/1133847900.db2.gz XVKRLPYURFSHAP-VQTJNVASSA-N 1 2 338.426 3.668 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001183879050 1133868844 /nfs/dbraw/zinc/86/88/44/1133868844.db2.gz LOHKHBMMNDWYNR-QPJJXVBHSA-N 1 2 338.495 3.814 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1C(C)(C)C ZINC001183905636 1133875832 /nfs/dbraw/zinc/87/58/32/1133875832.db2.gz KOECUHAVZWTCCN-CYBMUJFWSA-N 1 2 345.270 3.501 20 0 EHADLO C[N@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1C(C)(C)C ZINC001183905636 1133875837 /nfs/dbraw/zinc/87/58/37/1133875837.db2.gz KOECUHAVZWTCCN-CYBMUJFWSA-N 1 2 345.270 3.501 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(F)c(CSC)c2)c1C ZINC000746594696 1133881223 /nfs/dbraw/zinc/88/12/23/1133881223.db2.gz IBQPNNYZCTUVAG-UHFFFAOYSA-N 1 2 348.443 3.639 20 0 EHADLO CO[C@@H](c1ccccc1)[C@@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000786871918 1133915036 /nfs/dbraw/zinc/91/50/36/1133915036.db2.gz KPJCEVYJDVKPEK-IIBYNOLFSA-N 1 2 340.467 3.836 20 0 EHADLO CC(=O)[C@H](C)CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184337157 1133929116 /nfs/dbraw/zinc/92/91/16/1133929116.db2.gz FMJQYOVXFUOFHO-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO CC(=O)[C@H](C)CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184337157 1133929146 /nfs/dbraw/zinc/92/91/46/1133929146.db2.gz FMJQYOVXFUOFHO-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccnc(Cl)c3)n2)c1 ZINC000787011673 1133934347 /nfs/dbraw/zinc/93/43/47/1133934347.db2.gz KAYHPXWYEIINCC-RYUDHWBXSA-N 1 2 342.834 3.635 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CC2)nc1-c1cccc(Cl)c1 ZINC000746626819 1133938181 /nfs/dbraw/zinc/93/81/81/1133938181.db2.gz IKPBFHRLOLUKBU-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CC2)nc1-c1cccc(Cl)c1 ZINC000746626819 1133938185 /nfs/dbraw/zinc/93/81/85/1133938185.db2.gz IKPBFHRLOLUKBU-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)ccnc1F)c1cc(F)ccc1N(C)C ZINC001184428256 1133940391 /nfs/dbraw/zinc/94/03/91/1133940391.db2.gz JMPVJBFOXREDRN-SNVBAGLBSA-N 1 2 325.790 3.930 20 0 EHADLO CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)NCCc3cn(C)c[nH+]3)CC[C@@H](C)[C@@H]2CC1 ZINC001184503019 1133952851 /nfs/dbraw/zinc/95/28/51/1133952851.db2.gz HWCWNGYUMNNJNZ-CJGGRQNCSA-N 1 2 343.515 3.734 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787168045 1133965687 /nfs/dbraw/zinc/96/56/87/1133965687.db2.gz HWCLGGIFLPWGIB-UHFFFAOYSA-N 1 2 348.752 3.995 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787168045 1133965690 /nfs/dbraw/zinc/96/56/90/1133965690.db2.gz HWCLGGIFLPWGIB-UHFFFAOYSA-N 1 2 348.752 3.995 20 0 EHADLO CC(C)(C)C[C@H]1CC(=O)N(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000787217816 1133969191 /nfs/dbraw/zinc/96/91/91/1133969191.db2.gz DQYJACMXWKYPJK-IEBWSBKVSA-N 1 2 344.499 3.692 20 0 EHADLO CC(C)(C)C[C@H]1CC(=O)N(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000787217816 1133969196 /nfs/dbraw/zinc/96/91/96/1133969196.db2.gz DQYJACMXWKYPJK-IEBWSBKVSA-N 1 2 344.499 3.692 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(N(C)C)[nH+]1 ZINC000787420289 1134000805 /nfs/dbraw/zinc/00/08/05/1134000805.db2.gz FXLNKXXNVAFZHL-GFCCVEGCSA-N 1 2 344.381 3.651 20 0 EHADLO COc1ccccc1C1(CC(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC001184980376 1134011319 /nfs/dbraw/zinc/01/13/19/1134011319.db2.gz UXMUTXHVRFJQNV-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001185016077 1134014531 /nfs/dbraw/zinc/01/45/31/1134014531.db2.gz BNOYLMBXIXVBGV-MRXNPFEDSA-N 1 2 334.423 3.775 20 0 EHADLO Cc1nc(NC[C@H]2CCc3ccccc3N2)c(Br)c(C)[nH+]1 ZINC001185242287 1134056670 /nfs/dbraw/zinc/05/66/70/1134056670.db2.gz RWOUFMNRGLPOPD-CYBMUJFWSA-N 1 2 347.260 3.695 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ncccc1C1CCC1 ZINC001185276878 1134060431 /nfs/dbraw/zinc/06/04/31/1134060431.db2.gz CVDWGZHMDZTCQX-UHFFFAOYSA-N 1 2 332.407 3.846 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000788021379 1134074561 /nfs/dbraw/zinc/07/45/61/1134074561.db2.gz VLKZKPRLQDGNHE-UHFFFAOYSA-N 1 2 348.853 3.542 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000788021379 1134074564 /nfs/dbraw/zinc/07/45/64/1134074564.db2.gz VLKZKPRLQDGNHE-UHFFFAOYSA-N 1 2 348.853 3.542 20 0 EHADLO CCCC[C@H](COC)Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001185429708 1134084148 /nfs/dbraw/zinc/08/41/48/1134084148.db2.gz NMVBINSIWWWEMT-CYBMUJFWSA-N 1 2 343.406 3.572 20 0 EHADLO CC[C@H](NC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000788331107 1134110066 /nfs/dbraw/zinc/11/00/66/1134110066.db2.gz GKRZEZANUPPOAP-CABCVRRESA-N 1 2 347.509 3.622 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)c1nnc2n1CCCCC2 ZINC000788590822 1134148873 /nfs/dbraw/zinc/14/88/73/1134148873.db2.gz WJKSLZCVDZJGPW-UONOGXRCSA-N 1 2 345.878 3.781 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(n1)CCCC3)COC2 ZINC000788775967 1134173715 /nfs/dbraw/zinc/17/37/15/1134173715.db2.gz NLDOHGXYPDPKNB-SFHVURJKSA-N 1 2 328.843 3.975 20 0 EHADLO CSC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)CCC1 ZINC001186266769 1134190822 /nfs/dbraw/zinc/19/08/22/1134190822.db2.gz GPICYAYRSCERRN-UHFFFAOYSA-N 1 2 343.431 3.652 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000789298949 1134250704 /nfs/dbraw/zinc/25/07/04/1134250704.db2.gz ZUZCFKIGNJHZRS-QGZVFWFLSA-N 1 2 333.428 3.981 20 0 EHADLO COc1c[nH+]c(NCc2ccccc2-c2cccnc2)nc1NC1CC1 ZINC001170108064 1134287328 /nfs/dbraw/zinc/28/73/28/1134287328.db2.gz LQPUKOXSEKPUAN-UHFFFAOYSA-N 1 2 347.422 3.734 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[NH+]2CCC(CC(F)(F)F)CC2)C(=O)O1 ZINC000789532583 1134292622 /nfs/dbraw/zinc/29/26/22/1134292622.db2.gz XTEBEBIZNBSIDW-ZDUSSCGKSA-N 1 2 336.398 3.865 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc([C@H]2CCCOC2)cc1 ZINC000780446219 1134303594 /nfs/dbraw/zinc/30/35/94/1134303594.db2.gz BHFMRMSZIVPOEO-KRWDZBQOSA-N 1 2 336.391 3.585 20 0 EHADLO CC1(c2cc[nH+]c(NCc3ccccc3-c3cccnc3)c2)OCCO1 ZINC001170112046 1134303778 /nfs/dbraw/zinc/30/37/78/1134303778.db2.gz SKDKOUBQODKAQT-UHFFFAOYSA-N 1 2 347.418 3.975 20 0 EHADLO CC(C)c1nc(-c2ccc(C(=O)Nc3cccc4[nH+]ccn43)cc2)no1 ZINC001187488656 1134342547 /nfs/dbraw/zinc/34/25/47/1134342547.db2.gz FKRROKXBDKMLRB-UHFFFAOYSA-N 1 2 347.378 3.760 20 0 EHADLO CC(C)c1nc(-c2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)cc2)no1 ZINC001187495085 1134342641 /nfs/dbraw/zinc/34/26/41/1134342641.db2.gz BZMMIIWNWNUCPJ-UHFFFAOYSA-N 1 2 347.378 3.760 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@H](COCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001170125979 1134361519 /nfs/dbraw/zinc/36/15/19/1134361519.db2.gz QNRUOGGSLFQNNU-KBAYOESNSA-N 1 2 333.472 3.692 20 0 EHADLO Cc1c(C[N@H+](C)Cn2c(=S)oc3ccc(Cl)cc32)cnn1C ZINC000790418378 1134414510 /nfs/dbraw/zinc/41/45/10/1134414510.db2.gz VHJNQNNPUVXIHX-UHFFFAOYSA-N 1 2 336.848 3.749 20 0 EHADLO Cc1c(C[N@@H+](C)Cn2c(=S)oc3ccc(Cl)cc32)cnn1C ZINC000790418378 1134414511 /nfs/dbraw/zinc/41/45/11/1134414511.db2.gz VHJNQNNPUVXIHX-UHFFFAOYSA-N 1 2 336.848 3.749 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@H]2c2ccccc2)c1 ZINC000790452101 1134420174 /nfs/dbraw/zinc/42/01/74/1134420174.db2.gz SOHWLKOFGITJAA-GOSISDBHSA-N 1 2 325.456 3.507 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@H]2c2ccccc2)c1 ZINC000790452101 1134420177 /nfs/dbraw/zinc/42/01/77/1134420177.db2.gz SOHWLKOFGITJAA-GOSISDBHSA-N 1 2 325.456 3.507 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3cc(Cl)ccc3C)c[nH+]c12 ZINC001188735821 1134502948 /nfs/dbraw/zinc/50/29/48/1134502948.db2.gz RBDCBOOBOPYZGO-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772770951 1134522302 /nfs/dbraw/zinc/52/23/02/1134522302.db2.gz IXPRGVXBDGPTSA-CQSZACIVSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1noc2ccccc12 ZINC000791305172 1134528589 /nfs/dbraw/zinc/52/85/89/1134528589.db2.gz AVVHNMITPIBBOS-UHFFFAOYSA-N 1 2 347.374 3.608 20 0 EHADLO COCc1ccccc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791325155 1134531300 /nfs/dbraw/zinc/53/13/00/1134531300.db2.gz MQTLUQGXTJHAFF-UHFFFAOYSA-N 1 2 336.391 3.684 20 0 EHADLO Cc1c(F)cccc1NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001189045477 1134536859 /nfs/dbraw/zinc/53/68/59/1134536859.db2.gz FEIQZYFXIXRSQN-UHFFFAOYSA-N 1 2 338.386 3.984 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CCOc2ccccc21 ZINC000791364088 1134541187 /nfs/dbraw/zinc/54/11/87/1134541187.db2.gz BFJXZTPQQUTHKV-LJQANCHMSA-N 1 2 348.402 3.790 20 0 EHADLO COc1csc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791400121 1134544488 /nfs/dbraw/zinc/54/44/88/1134544488.db2.gz CMSQXQSTYNDLLI-UHFFFAOYSA-N 1 2 328.393 3.608 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748149 1134601498 /nfs/dbraw/zinc/60/14/98/1134601498.db2.gz FRBZXGJTSYXDLT-CQSZACIVSA-N 1 2 328.412 3.606 20 0 EHADLO COc1ccc(-c2noc(C)c2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001189776449 1134625971 /nfs/dbraw/zinc/62/59/71/1134625971.db2.gz MCUNWELAFQDMGB-UHFFFAOYSA-N 1 2 348.362 3.559 20 0 EHADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccc(Cl)c(Cl)c1 ZINC000791978784 1134635208 /nfs/dbraw/zinc/63/52/08/1134635208.db2.gz KITOZNMCBIVQCY-VIFPVBQESA-N 1 2 325.195 3.818 20 0 EHADLO NC(=O)c1nc(Cl)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203712544 1134645127 /nfs/dbraw/zinc/64/51/27/1134645127.db2.gz JJFSUGFYGDGVAS-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000792053948 1134645809 /nfs/dbraw/zinc/64/58/09/1134645809.db2.gz SVIXRNUAIDRDRW-UHFFFAOYSA-N 1 2 328.412 3.608 20 0 EHADLO Cc1ccc(OCCCC(=O)OCc2cc[nH+]c(N)c2)c(Cl)c1 ZINC000792035913 1134648140 /nfs/dbraw/zinc/64/81/40/1134648140.db2.gz WGVIXYAFSINZOO-UHFFFAOYSA-N 1 2 334.803 3.528 20 0 EHADLO COc1ccc(C(C)=O)c(NC(=O)c2ccccc2-n2cc[nH+]c2)c1C ZINC001190095847 1134655141 /nfs/dbraw/zinc/65/51/41/1134655141.db2.gz BBFMIGVYITWKRV-UHFFFAOYSA-N 1 2 349.390 3.644 20 0 EHADLO O=C(Nc1ccc(F)c2cnccc12)c1ccccc1-n1cc[nH+]c1 ZINC001190099405 1134655702 /nfs/dbraw/zinc/65/57/02/1134655702.db2.gz IDDVJYGURPCARN-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO O=C(Nc1cnnc2ccc(Cl)cc21)c1ccccc1-n1cc[nH+]c1 ZINC001190085551 1134659046 /nfs/dbraw/zinc/65/90/46/1134659046.db2.gz HKWYBSBUCBGECK-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO COc1nc(NC(=O)c2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC001190085997 1134659479 /nfs/dbraw/zinc/65/94/79/1134659479.db2.gz NCDHWMDRALDVQS-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CC(C)c1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001190262845 1134674074 /nfs/dbraw/zinc/67/40/74/1134674074.db2.gz CWOFLCHRNQDXIY-KRWDZBQOSA-N 1 2 336.426 3.756 20 0 EHADLO CCOC(=O)c1ncccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718145 1134675852 /nfs/dbraw/zinc/67/58/52/1134675852.db2.gz SIDQELUQIDZCAD-UHFFFAOYSA-N 1 2 325.412 3.992 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170262268 1134726678 /nfs/dbraw/zinc/72/66/78/1134726678.db2.gz WDACLZQYEJCEBG-FZKQIMNGSA-N 1 2 349.833 3.784 20 0 EHADLO CC(C)(C)C(=O)N1CCC(CNc2[nH+]cccc2-n2cccc2)CC1 ZINC001170348802 1134759949 /nfs/dbraw/zinc/75/99/49/1134759949.db2.gz BCKQTISSKAPRNN-UHFFFAOYSA-N 1 2 340.471 3.569 20 0 EHADLO COc1cc(C[N@@H+]2CCc3c(C)cccc3C2)c(Br)cn1 ZINC001190905542 1134768280 /nfs/dbraw/zinc/76/82/80/1134768280.db2.gz ZSKSZWWVKZKGLV-UHFFFAOYSA-N 1 2 347.256 3.719 20 0 EHADLO COc1cc(C[N@H+]2CCc3c(C)cccc3C2)c(Br)cn1 ZINC001190905542 1134768286 /nfs/dbraw/zinc/76/82/86/1134768286.db2.gz ZSKSZWWVKZKGLV-UHFFFAOYSA-N 1 2 347.256 3.719 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)on1 ZINC001191031552 1134782193 /nfs/dbraw/zinc/78/21/93/1134782193.db2.gz XFASAIKLKXVGCX-CXAGYDPISA-N 1 2 346.452 3.530 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)on1 ZINC001191031552 1134782198 /nfs/dbraw/zinc/78/21/98/1134782198.db2.gz XFASAIKLKXVGCX-CXAGYDPISA-N 1 2 346.452 3.530 20 0 EHADLO Cc1cc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)ccc1-c1ccccc1 ZINC000792823536 1134796257 /nfs/dbraw/zinc/79/62/57/1134796257.db2.gz GIUSVMCTHHQGSK-HXUWFJFHSA-N 1 2 348.450 3.637 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H](F)CC1CCCCC1 ZINC000792918711 1134825199 /nfs/dbraw/zinc/82/51/99/1134825199.db2.gz WAESHXMWOSRVPB-IBGZPJMESA-N 1 2 343.446 3.856 20 0 EHADLO CCS(=O)(=O)CC[N@H+](CC(C)C)[C@@H](C)c1ccccc1Cl ZINC000792922990 1134826691 /nfs/dbraw/zinc/82/66/91/1134826691.db2.gz AKCFAEOBIKETIX-AWEZNQCLSA-N 1 2 331.909 3.794 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](CC(C)C)[C@@H](C)c1ccccc1Cl ZINC000792922990 1134826703 /nfs/dbraw/zinc/82/67/03/1134826703.db2.gz AKCFAEOBIKETIX-AWEZNQCLSA-N 1 2 331.909 3.794 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C=O)c(C)cc2C)n1 ZINC000793154802 1134864671 /nfs/dbraw/zinc/86/46/71/1134864671.db2.gz SVKDHNBQERSHCP-UHFFFAOYSA-N 1 2 345.468 3.667 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccc4n[nH]cc4c3)c2)[nH+]c1C ZINC000793169431 1134866893 /nfs/dbraw/zinc/86/68/93/1134866893.db2.gz YSLTXBQRHFVSPO-UHFFFAOYSA-N 1 2 345.406 3.751 20 0 EHADLO Cc1cccc2sc(C(=O)OCCc3c[nH+]cn3C)c(Cl)c21 ZINC000793251276 1134888888 /nfs/dbraw/zinc/88/88/88/1134888888.db2.gz VPDOPENKSYMPSU-UHFFFAOYSA-N 1 2 334.828 3.996 20 0 EHADLO OCC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1Cl ZINC000793363602 1134910482 /nfs/dbraw/zinc/91/04/82/1134910482.db2.gz HEFDCJTXPCXLCW-UHFFFAOYSA-N 1 2 344.764 3.748 20 0 EHADLO OCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1Cl ZINC000793363602 1134910490 /nfs/dbraw/zinc/91/04/90/1134910490.db2.gz HEFDCJTXPCXLCW-UHFFFAOYSA-N 1 2 344.764 3.748 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2cccnc2)n1 ZINC001192173367 1134975231 /nfs/dbraw/zinc/97/52/31/1134975231.db2.gz LQQKUAQDWFBGSV-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444133 1135020538 /nfs/dbraw/zinc/02/05/38/1135020538.db2.gz SXLHHESVHSLOAN-HOCLYGCPSA-N 1 2 339.863 3.771 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444133 1135020545 /nfs/dbraw/zinc/02/05/45/1135020545.db2.gz SXLHHESVHSLOAN-HOCLYGCPSA-N 1 2 339.863 3.771 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000775537836 1135038843 /nfs/dbraw/zinc/03/88/43/1135038843.db2.gz QFMDANLEOLISQI-ZBFHGGJFSA-N 1 2 329.444 3.625 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3C(C)(C)C2)sc1C ZINC001192939567 1135081083 /nfs/dbraw/zinc/08/10/83/1135081083.db2.gz OINJKGNXCLLGIS-CYBMUJFWSA-N 1 2 343.496 3.880 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3C(C)(C)C2)sc1C ZINC001192939567 1135081091 /nfs/dbraw/zinc/08/10/91/1135081091.db2.gz OINJKGNXCLLGIS-CYBMUJFWSA-N 1 2 343.496 3.880 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775558390 1135086471 /nfs/dbraw/zinc/08/64/71/1135086471.db2.gz LQPLDSQCYBJVAF-HXUWFJFHSA-N 1 2 336.414 3.803 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775558390 1135086475 /nfs/dbraw/zinc/08/64/75/1135086475.db2.gz LQPLDSQCYBJVAF-HXUWFJFHSA-N 1 2 336.414 3.803 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(OC(F)(F)Cl)cc2)c[nH+]1 ZINC001129842166 1135169121 /nfs/dbraw/zinc/16/91/21/1135169121.db2.gz SPVCVLJGACATJT-UHFFFAOYSA-N 1 2 340.757 3.796 20 0 EHADLO Cc1cc(CNC(=O)c2cc3c(cncc3Cl)s2)cc(C)[nH+]1 ZINC001129859276 1135173041 /nfs/dbraw/zinc/17/30/41/1135173041.db2.gz ZVNZFWYEBMIPKH-UHFFFAOYSA-N 1 2 331.828 3.892 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)c(C(=O)Nc2cc[nH+]c3c2CCC3)s1 ZINC001193884703 1135193234 /nfs/dbraw/zinc/19/32/34/1135193234.db2.gz JETUITZXNXSGFG-UHFFFAOYSA-N 1 2 349.459 3.985 20 0 EHADLO CCCC[C@H](CC)COC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193980377 1135208972 /nfs/dbraw/zinc/20/89/72/1135208972.db2.gz FKEITSTVVINQAT-HNNXBMFYSA-N 1 2 337.464 3.677 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)nc1Cl ZINC001194066016 1135224421 /nfs/dbraw/zinc/22/44/21/1135224421.db2.gz CPGIFPQLGQZGQD-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)nc1Cl ZINC001194066016 1135224425 /nfs/dbraw/zinc/22/44/25/1135224425.db2.gz CPGIFPQLGQZGQD-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cnc(-c3cccs3)s2)c1F ZINC001203174373 1135251925 /nfs/dbraw/zinc/25/19/25/1135251925.db2.gz XMJMIWUJNBGDDT-UHFFFAOYSA-N 1 2 335.429 3.704 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194382724 1135261686 /nfs/dbraw/zinc/26/16/86/1135261686.db2.gz ZHNAXMZSSADEEB-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001194466131 1135271241 /nfs/dbraw/zinc/27/12/41/1135271241.db2.gz AZDDTRKFSBFHDM-NWDGAFQWSA-N 1 2 328.815 3.703 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001194466131 1135271244 /nfs/dbraw/zinc/27/12/44/1135271244.db2.gz AZDDTRKFSBFHDM-NWDGAFQWSA-N 1 2 328.815 3.703 20 0 EHADLO O=C(Oc1ccc2ccccc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC001194628516 1135293724 /nfs/dbraw/zinc/29/37/24/1135293724.db2.gz SXJHLAHUDAQPBC-UHFFFAOYSA-N 1 2 347.418 3.946 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)CO1 ZINC000775609248 1135314590 /nfs/dbraw/zinc/31/45/90/1135314590.db2.gz UGIVRZZQVDKHNX-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)CO1 ZINC000775609248 1135314593 /nfs/dbraw/zinc/31/45/93/1135314593.db2.gz UGIVRZZQVDKHNX-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO OCC[C@@H]1COCC[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000805747231 1135317504 /nfs/dbraw/zinc/31/75/04/1135317504.db2.gz WQYPAEYUKVZKMU-LJQANCHMSA-N 1 2 343.492 3.562 20 0 EHADLO OCC[C@@H]1COCC[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000805747231 1135317508 /nfs/dbraw/zinc/31/75/08/1135317508.db2.gz WQYPAEYUKVZKMU-LJQANCHMSA-N 1 2 343.492 3.562 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615482 1135329862 /nfs/dbraw/zinc/32/98/62/1135329862.db2.gz NMXVKIGSSXNFBH-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615482 1135329866 /nfs/dbraw/zinc/32/98/66/1135329866.db2.gz NMXVKIGSSXNFBH-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO CC(C)CCOC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001194902659 1135338108 /nfs/dbraw/zinc/33/81/08/1135338108.db2.gz ZTUMDNBYQDLNGS-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3(C)CCCC3)CC2)cs1 ZINC000805900939 1135347025 /nfs/dbraw/zinc/34/70/25/1135347025.db2.gz XZLCZYGTGLVUFZ-UHFFFAOYSA-N 1 2 336.501 3.787 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000348222754 1135418188 /nfs/dbraw/zinc/41/81/88/1135418188.db2.gz AFRODLBEPMISOW-INIZCTEOSA-N 1 2 345.443 3.716 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000348222754 1135418191 /nfs/dbraw/zinc/41/81/91/1135418191.db2.gz AFRODLBEPMISOW-INIZCTEOSA-N 1 2 345.443 3.716 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]CC[C@H](O)c1ccccc1)C1CCCCCC1 ZINC001195621996 1135444292 /nfs/dbraw/zinc/44/42/92/1135444292.db2.gz GLPUZGXTSQJGKH-OALUTQOASA-N 1 2 333.472 3.602 20 0 EHADLO C[N@H+](Cc1nc([C@@H]2CCSc3ccccc32)no1)[C@H]1CCSC1 ZINC000867149526 1135502056 /nfs/dbraw/zinc/50/20/56/1135502056.db2.gz YYNHAALISHJBID-GXTWGEPZSA-N 1 2 347.509 3.635 20 0 EHADLO C[N@@H+](Cc1nc([C@@H]2CCSc3ccccc32)no1)[C@H]1CCSC1 ZINC000867149526 1135502058 /nfs/dbraw/zinc/50/20/58/1135502058.db2.gz YYNHAALISHJBID-GXTWGEPZSA-N 1 2 347.509 3.635 20 0 EHADLO FC(F)(F)c1sccc1-c1noc(CCCn2cc[nH+]c2)n1 ZINC000867153535 1135512303 /nfs/dbraw/zinc/51/23/03/1135512303.db2.gz FZHWHXOBGKGPNY-UHFFFAOYSA-N 1 2 328.319 3.646 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C[C@@H](C)C3CC3)n2)C1 ZINC000867183444 1135584046 /nfs/dbraw/zinc/58/40/46/1135584046.db2.gz GBTHJUKEWXGFHP-CRAIPNDOSA-N 1 2 341.455 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C[C@@H](C)C3CC3)n2)C1 ZINC000867183444 1135584050 /nfs/dbraw/zinc/58/40/50/1135584050.db2.gz GBTHJUKEWXGFHP-CRAIPNDOSA-N 1 2 341.455 3.540 20 0 EHADLO CCCCn1c(SCOC2CCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000808011608 1135598425 /nfs/dbraw/zinc/59/84/25/1135598425.db2.gz RSWFFRSWFRUBDG-CQSZACIVSA-N 1 2 326.510 3.710 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)CN1CC2(CCCC2)CC1=O ZINC000747452750 1135609924 /nfs/dbraw/zinc/60/99/24/1135609924.db2.gz GLFOBNLUYYUOFN-UHFFFAOYSA-N 1 2 326.893 3.974 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)CN1CC2(CCCC2)CC1=O ZINC000747452750 1135609926 /nfs/dbraw/zinc/60/99/26/1135609926.db2.gz GLFOBNLUYYUOFN-UHFFFAOYSA-N 1 2 326.893 3.974 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000747456076 1135619592 /nfs/dbraw/zinc/61/95/92/1135619592.db2.gz HPYCMDHDCDTDNG-HNNXBMFYSA-N 1 2 333.501 3.511 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000747456076 1135619595 /nfs/dbraw/zinc/61/95/95/1135619595.db2.gz HPYCMDHDCDTDNG-HNNXBMFYSA-N 1 2 333.501 3.511 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3ccccc3F)CC2)C1 ZINC000808167814 1135629758 /nfs/dbraw/zinc/62/97/58/1135629758.db2.gz IKHBMBCNMNPQCK-HXUWFJFHSA-N 1 2 330.447 3.911 20 0 EHADLO COc1cccc(C[N@H+](C)CN2C[C@@](C)(C3CCCC3)CC2=O)c1 ZINC000780428305 1135631934 /nfs/dbraw/zinc/63/19/34/1135631934.db2.gz SFTJFSTUPVOCEV-FQEVSTJZSA-N 1 2 330.472 3.513 20 0 EHADLO COc1cccc(C[N@@H+](C)CN2C[C@@](C)(C3CCCC3)CC2=O)c1 ZINC000780428305 1135631936 /nfs/dbraw/zinc/63/19/36/1135631936.db2.gz SFTJFSTUPVOCEV-FQEVSTJZSA-N 1 2 330.472 3.513 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808226754 1135632829 /nfs/dbraw/zinc/63/28/29/1135632829.db2.gz IOBDPNQTMCBTSO-AWEZNQCLSA-N 1 2 346.475 3.837 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808226754 1135632833 /nfs/dbraw/zinc/63/28/33/1135632833.db2.gz IOBDPNQTMCBTSO-AWEZNQCLSA-N 1 2 346.475 3.837 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230655 1135633191 /nfs/dbraw/zinc/63/31/91/1135633191.db2.gz NCHADBWVTJALQR-MRXNPFEDSA-N 1 2 328.485 3.791 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230655 1135633194 /nfs/dbraw/zinc/63/31/94/1135633194.db2.gz NCHADBWVTJALQR-MRXNPFEDSA-N 1 2 328.485 3.791 20 0 EHADLO Fc1cc(F)c(F)c(NC(=S)Nc2cccc3[nH+]ccn32)c1F ZINC001197364797 1135679324 /nfs/dbraw/zinc/67/93/24/1135679324.db2.gz KTYKYBAINZBGMY-UHFFFAOYSA-N 1 2 340.305 3.700 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)Nc3cccc(F)c3)c[nH+]c12 ZINC001197664908 1135718304 /nfs/dbraw/zinc/71/83/04/1135718304.db2.gz LXSMXNXAEWPOOD-LBPRGKRZSA-N 1 2 328.416 3.829 20 0 EHADLO CCS[C@@H](C)c1noc(CN2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001197710196 1135728652 /nfs/dbraw/zinc/72/86/52/1135728652.db2.gz FOQPKCKEWPLXDA-STQMWFEESA-N 1 2 335.477 3.561 20 0 EHADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000828123956 1135763282 /nfs/dbraw/zinc/76/32/82/1135763282.db2.gz XXJAWQAFOWTOGL-KRWDZBQOSA-N 1 2 341.398 3.667 20 0 EHADLO CC(C)CC(=O)CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000828123956 1135763285 /nfs/dbraw/zinc/76/32/85/1135763285.db2.gz XXJAWQAFOWTOGL-KRWDZBQOSA-N 1 2 341.398 3.667 20 0 EHADLO CC(C)c1ocnc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000809302135 1135817506 /nfs/dbraw/zinc/81/75/06/1135817506.db2.gz ANZHYGNHKXXCND-UHFFFAOYSA-N 1 2 335.367 3.760 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)c1 ZINC001131733164 1135845716 /nfs/dbraw/zinc/84/57/16/1135845716.db2.gz XHRXQQWEZSGJKG-QGZVFWFLSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCc2ccccc2C1 ZINC000809539748 1135849175 /nfs/dbraw/zinc/84/91/75/1135849175.db2.gz ZGMUYEFSTIUWIH-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCc2ccccc2C1 ZINC000809539748 1135849180 /nfs/dbraw/zinc/84/91/80/1135849180.db2.gz ZGMUYEFSTIUWIH-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3cc(F)ccc3C)CCO2)cc1OC ZINC001198716952 1135852491 /nfs/dbraw/zinc/85/24/91/1135852491.db2.gz CLQZJXJCWNBJRN-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3cc(F)ccc3C)CCO2)cc1OC ZINC001198716952 1135852494 /nfs/dbraw/zinc/85/24/94/1135852494.db2.gz CLQZJXJCWNBJRN-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO Cc1cn2c(cccc2NC(=S)Nc2ccc(N(C)C)cc2)[nH+]1 ZINC001198717722 1135852855 /nfs/dbraw/zinc/85/28/55/1135852855.db2.gz KKYJTOTXLBCKIH-UHFFFAOYSA-N 1 2 325.441 3.518 20 0 EHADLO CC[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@H]1CCCO1 ZINC000809552501 1135855393 /nfs/dbraw/zinc/85/53/93/1135855393.db2.gz WYZPKQUAPIYZMB-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO CC[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@H]1CCCO1 ZINC000809552501 1135855397 /nfs/dbraw/zinc/85/53/97/1135855397.db2.gz WYZPKQUAPIYZMB-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO CC(C)(C)c1cc(NS(=O)(=O)c2ccc3occc3c2)cc[nH+]1 ZINC001198825477 1135857009 /nfs/dbraw/zinc/85/70/09/1135857009.db2.gz DTFGPDRDIMJVLX-UHFFFAOYSA-N 1 2 330.409 3.926 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCOc4cc(O)ccc4C3)oc21 ZINC000809705203 1135875196 /nfs/dbraw/zinc/87/51/96/1135875196.db2.gz PFSSVRGXWKKQTP-UHFFFAOYSA-N 1 2 325.364 3.542 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCOc4cc(O)ccc4C3)oc21 ZINC000809705203 1135875197 /nfs/dbraw/zinc/87/51/97/1135875197.db2.gz PFSSVRGXWKKQTP-UHFFFAOYSA-N 1 2 325.364 3.542 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cnc1Cl ZINC000809721385 1135877951 /nfs/dbraw/zinc/87/79/51/1135877951.db2.gz XKEYZLAPMMAUAY-OAHLLOKOSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cnc1Cl ZINC000809721385 1135877953 /nfs/dbraw/zinc/87/79/53/1135877953.db2.gz XKEYZLAPMMAUAY-OAHLLOKOSA-N 1 2 339.867 3.533 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000809720760 1135878374 /nfs/dbraw/zinc/87/83/74/1135878374.db2.gz MUMVGUMPLNVTFK-CYBMUJFWSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000809720760 1135878377 /nfs/dbraw/zinc/87/83/77/1135878377.db2.gz MUMVGUMPLNVTFK-CYBMUJFWSA-N 1 2 330.881 3.891 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809722868 1135879138 /nfs/dbraw/zinc/87/91/38/1135879138.db2.gz LHCNJUQHNXDCDP-AWEZNQCLSA-N 1 2 339.505 3.709 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809722868 1135879141 /nfs/dbraw/zinc/87/91/41/1135879141.db2.gz LHCNJUQHNXDCDP-AWEZNQCLSA-N 1 2 339.505 3.709 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809726683 1135879579 /nfs/dbraw/zinc/87/95/79/1135879579.db2.gz STRCUFXWYKEZFF-AWEZNQCLSA-N 1 2 339.505 3.757 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809726683 1135879581 /nfs/dbraw/zinc/87/95/81/1135879581.db2.gz STRCUFXWYKEZFF-AWEZNQCLSA-N 1 2 339.505 3.757 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000809778994 1135890279 /nfs/dbraw/zinc/89/02/79/1135890279.db2.gz AHYYFCRKKDVLDN-GFCCVEGCSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000809778994 1135890282 /nfs/dbraw/zinc/89/02/82/1135890282.db2.gz AHYYFCRKKDVLDN-GFCCVEGCSA-N 1 2 348.340 3.555 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001131919184 1135899689 /nfs/dbraw/zinc/89/96/89/1135899689.db2.gz GWPCEVNKXIMCQO-MRXNPFEDSA-N 1 2 349.544 3.858 20 0 EHADLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc2[nH+]ccn21 ZINC000776003058 1135916684 /nfs/dbraw/zinc/91/66/84/1135916684.db2.gz XLNDKJPRFXKYQY-CQSZACIVSA-N 1 2 341.798 3.631 20 0 EHADLO FC(F)(F)c1cscc1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000810148749 1135931124 /nfs/dbraw/zinc/93/11/24/1135931124.db2.gz ZSYANAZZXJROGQ-UHFFFAOYSA-N 1 2 338.358 3.637 20 0 EHADLO COc1nsc(C[NH2+]Cc2ccccc2Br)c1Cl ZINC001199843550 1135931930 /nfs/dbraw/zinc/93/19/30/1135931930.db2.gz OJGHHLTYJYBZST-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2ccc(Br)nc2)cs1 ZINC000810216769 1135939137 /nfs/dbraw/zinc/93/91/37/1135939137.db2.gz OCBVBYHCPPCDEK-SECBINFHSA-N 1 2 326.263 3.714 20 0 EHADLO Cc1cc([C@H](C)[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)no1 ZINC000810232963 1135942126 /nfs/dbraw/zinc/94/21/26/1135942126.db2.gz PBDYSHLXBUEYEN-IINYFYTJSA-N 1 2 348.752 3.737 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3(F)CCCCC3)CC2)cc1 ZINC000810442534 1135965399 /nfs/dbraw/zinc/96/53/99/1135965399.db2.gz WJZZYLCHNSEPIP-UHFFFAOYSA-N 1 2 347.478 3.510 20 0 EHADLO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000810496511 1135966382 /nfs/dbraw/zinc/96/63/82/1135966382.db2.gz BBBWQKCVNVGULK-HNNXBMFYSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000810496511 1135966386 /nfs/dbraw/zinc/96/63/86/1135966386.db2.gz BBBWQKCVNVGULK-HNNXBMFYSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000810496511 1135966390 /nfs/dbraw/zinc/96/63/90/1135966390.db2.gz BBBWQKCVNVGULK-HNNXBMFYSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000810496511 1135966393 /nfs/dbraw/zinc/96/63/93/1135966393.db2.gz BBBWQKCVNVGULK-HNNXBMFYSA-N 1 2 348.384 3.825 20 0 EHADLO CC(C)[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000810562666 1135973196 /nfs/dbraw/zinc/97/31/96/1135973196.db2.gz NBBLPSJKAWDTFW-OAQYLSRUSA-N 1 2 349.434 3.809 20 0 EHADLO CCCn1c[nH+]cc1CN[C@@H](c1ccco1)c1ccccc1OC ZINC001201180357 1135992796 /nfs/dbraw/zinc/99/27/96/1135992796.db2.gz TZFQHYWDVXRINH-LJQANCHMSA-N 1 2 325.412 3.774 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC1(c2ccccc2)CC1 ZINC000810704460 1135998684 /nfs/dbraw/zinc/99/86/84/1135998684.db2.gz RHZJIEBXTSPPCJ-UHFFFAOYSA-N 1 2 332.403 3.706 20 0 EHADLO Nc1ccc(Nc2cc(C(=O)NCc3ccco3)ccc2Cl)c[nH+]1 ZINC001201291143 1136001825 /nfs/dbraw/zinc/00/18/25/1136001825.db2.gz CAJWFGRKXQOHCO-UHFFFAOYSA-N 1 2 342.786 3.584 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)CC1(F)F ZINC001201422076 1136018418 /nfs/dbraw/zinc/01/84/18/1136018418.db2.gz GLJIAGSCMMDMKY-ZIAGYGMSSA-N 1 2 330.419 3.577 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC1(F)F ZINC001201422076 1136018420 /nfs/dbraw/zinc/01/84/20/1136018420.db2.gz GLJIAGSCMMDMKY-ZIAGYGMSSA-N 1 2 330.419 3.577 20 0 EHADLO COCCOc1cccc(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001201567286 1136041830 /nfs/dbraw/zinc/04/18/30/1136041830.db2.gz XBDIHUVBLNJRPG-UHFFFAOYSA-N 1 2 341.455 3.709 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C ZINC000747674923 1136049794 /nfs/dbraw/zinc/04/97/94/1136049794.db2.gz AKIRNKLQUQIFMC-LLVKDONJSA-N 1 2 344.480 3.823 20 0 EHADLO CCCc1cc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)sc1C ZINC000747675860 1136050036 /nfs/dbraw/zinc/05/00/36/1136050036.db2.gz YRTROENDUVYIOM-UHFFFAOYSA-N 1 2 332.469 3.959 20 0 EHADLO Cc1ccc(C)c(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811326799 1136074492 /nfs/dbraw/zinc/07/44/92/1136074492.db2.gz TVHGYQPMKKGDBZ-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO CCc1ccccc1CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327452 1136074714 /nfs/dbraw/zinc/07/47/14/1136074714.db2.gz VWHYTLGIHJRCQI-UHFFFAOYSA-N 1 2 348.446 3.822 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(F)cc1F ZINC001202019692 1136081846 /nfs/dbraw/zinc/08/18/46/1136081846.db2.gz FPNYHKDYCNZTFD-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO CCc1ccsc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814872 1136087954 /nfs/dbraw/zinc/08/79/54/1136087954.db2.gz DVSBNOGFOHEQQI-MRXNPFEDSA-N 1 2 325.437 3.678 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811463191 1136090089 /nfs/dbraw/zinc/09/00/89/1136090089.db2.gz NARQHNKEDQBMJH-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811463191 1136090092 /nfs/dbraw/zinc/09/00/92/1136090092.db2.gz NARQHNKEDQBMJH-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000811588918 1136108798 /nfs/dbraw/zinc/10/87/98/1136108798.db2.gz DHTHIBOYGYABHZ-UHFFFAOYSA-N 1 2 348.431 3.627 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C)[nH+]cc1C ZINC001202245744 1136119625 /nfs/dbraw/zinc/11/96/25/1136119625.db2.gz OROCSUPPOPYTNG-MRXNPFEDSA-N 1 2 331.847 3.917 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3C(C)C)c(=O)cc2C)cc1 ZINC000811735986 1136132623 /nfs/dbraw/zinc/13/26/23/1136132623.db2.gz GCEOAGZAJJXVPO-GOSISDBHSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3C(C)C)c(=O)cc2C)cc1 ZINC000811735986 1136132625 /nfs/dbraw/zinc/13/26/25/1136132625.db2.gz GCEOAGZAJJXVPO-GOSISDBHSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](CC(C)C)C3)c(=O)cc2C)cc1 ZINC000811752500 1136136034 /nfs/dbraw/zinc/13/60/34/1136136034.db2.gz NBRHACZKBTXQNE-SFHVURJKSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](CC(C)C)C3)c(=O)cc2C)cc1 ZINC000811752500 1136136037 /nfs/dbraw/zinc/13/60/37/1136136037.db2.gz NBRHACZKBTXQNE-SFHVURJKSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccccc1CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033162 1136146680 /nfs/dbraw/zinc/14/66/80/1136146680.db2.gz RKHUEBRHALNPQG-HXUWFJFHSA-N 1 2 333.435 3.682 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000338925293 1136181782 /nfs/dbraw/zinc/18/17/82/1136181782.db2.gz ZQEYRUMLDBESCJ-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000338925293 1136181783 /nfs/dbraw/zinc/18/17/83/1136181783.db2.gz ZQEYRUMLDBESCJ-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO c1[nH+]c2n(c1CNc1cccc(-c3cn4c(n3)CCCC4)c1)CCC2 ZINC000850208249 1136220791 /nfs/dbraw/zinc/22/07/91/1136220791.db2.gz HSRURBYTYHCRAS-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2coc(C3CC3)n2)CC1 ZINC000812770913 1136244786 /nfs/dbraw/zinc/24/47/86/1136244786.db2.gz WDXKIFVIPDFURK-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2coc(C3CC3)n2)CC1 ZINC000812770913 1136244789 /nfs/dbraw/zinc/24/47/89/1136244789.db2.gz WDXKIFVIPDFURK-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO C[N@H+](CC(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881902 1136264520 /nfs/dbraw/zinc/26/45/20/1136264520.db2.gz GRHYRHODFZRICA-CABCVRRESA-N 1 2 329.362 3.783 20 0 EHADLO C[N@@H+](CC(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881902 1136264523 /nfs/dbraw/zinc/26/45/23/1136264523.db2.gz GRHYRHODFZRICA-CABCVRRESA-N 1 2 329.362 3.783 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000007466273 1136282154 /nfs/dbraw/zinc/28/21/54/1136282154.db2.gz YWPQTMQJMXXBSW-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCCCCC3CC3)CC2)cs1 ZINC000813178241 1136299511 /nfs/dbraw/zinc/29/95/11/1136299511.db2.gz AMUMSGGAGMNQRS-UHFFFAOYSA-N 1 2 336.501 3.787 20 0 EHADLO O=C(/C=C\COc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000813397286 1136327210 /nfs/dbraw/zinc/32/72/10/1136327210.db2.gz AUIZXVHXPKMCTH-DAXSKMNVSA-N 1 2 337.354 3.585 20 0 EHADLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000851098673 1136336790 /nfs/dbraw/zinc/33/67/90/1136336790.db2.gz HPLAXCZBQCIIIQ-IYARVYRRSA-N 1 2 328.456 3.668 20 0 EHADLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)c1nnc(-c2cccs2)o1 ZINC000747864894 1136354923 /nfs/dbraw/zinc/35/49/23/1136354923.db2.gz SWEFEIHZCLZROY-LLVKDONJSA-N 1 2 328.397 3.600 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000851397088 1136376300 /nfs/dbraw/zinc/37/63/00/1136376300.db2.gz DOSRKCTZUIBNPK-UHFFFAOYSA-N 1 2 330.815 3.808 20 0 EHADLO O=C(/C=C\c1cccs1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398329 1136376309 /nfs/dbraw/zinc/37/63/09/1136376309.db2.gz SQQWBTUVZZMAHN-SREVYHEPSA-N 1 2 328.437 3.616 20 0 EHADLO O=C(OCCC[C@@H]1CCCCC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000813961339 1136378981 /nfs/dbraw/zinc/37/89/81/1136378981.db2.gz YSQZQKNJZFDZJR-HNNXBMFYSA-N 1 2 326.396 3.569 20 0 EHADLO O=C(OCCC[C@H]1CCCCC1=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813962532 1136379019 /nfs/dbraw/zinc/37/90/19/1136379019.db2.gz HDGYNTPFSVIYBE-RTBURBONSA-N 1 2 343.467 3.734 20 0 EHADLO O=C(OCCC[C@H]1CCCCC1=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813962532 1136379023 /nfs/dbraw/zinc/37/90/23/1136379023.db2.gz HDGYNTPFSVIYBE-RTBURBONSA-N 1 2 343.467 3.734 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000265945847 1136382976 /nfs/dbraw/zinc/38/29/76/1136382976.db2.gz KZBJYFZMGHQAFN-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccsc1 ZINC000007906995 1136385276 /nfs/dbraw/zinc/38/52/76/1136385276.db2.gz YFUWXIRXHMDKQW-UHFFFAOYSA-N 1 2 343.496 3.809 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccsc1 ZINC000007906995 1136385278 /nfs/dbraw/zinc/38/52/78/1136385278.db2.gz YFUWXIRXHMDKQW-UHFFFAOYSA-N 1 2 343.496 3.809 20 0 EHADLO C[NH+](C)[C@H](C(=O)OC[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1 ZINC000814058559 1136391236 /nfs/dbraw/zinc/39/12/36/1136391236.db2.gz VPBXKYWNLGQTTH-UFYCRDLUSA-N 1 2 339.435 3.753 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000851788400 1136407387 /nfs/dbraw/zinc/40/73/87/1136407387.db2.gz CKGRYUNPJLCGQJ-CQSZACIVSA-N 1 2 339.439 3.685 20 0 EHADLO CCCCOc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OCC ZINC000814181125 1136412120 /nfs/dbraw/zinc/41/21/20/1136412120.db2.gz VYEQBNKTQPVCSY-MRXNPFEDSA-N 1 2 349.471 3.790 20 0 EHADLO CCCCOc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OCC ZINC000814181125 1136412123 /nfs/dbraw/zinc/41/21/23/1136412123.db2.gz VYEQBNKTQPVCSY-MRXNPFEDSA-N 1 2 349.471 3.790 20 0 EHADLO COc1ccccc1-c1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814181171 1136418037 /nfs/dbraw/zinc/41/80/37/1136418037.db2.gz XBWHZYWKUNHFEM-SFHVURJKSA-N 1 2 339.435 3.888 20 0 EHADLO COc1ccccc1-c1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814181171 1136418038 /nfs/dbraw/zinc/41/80/38/1136418038.db2.gz XBWHZYWKUNHFEM-SFHVURJKSA-N 1 2 339.435 3.888 20 0 EHADLO CCc1oc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1C(=O)OC ZINC000338941532 1136426572 /nfs/dbraw/zinc/42/65/72/1136426572.db2.gz KCFDIWHWSWXFEF-UHFFFAOYSA-N 1 2 343.427 3.626 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000814289733 1136434530 /nfs/dbraw/zinc/43/45/30/1136434530.db2.gz TUCWUBBZZCJDGO-UHFFFAOYSA-N 1 2 328.460 3.744 20 0 EHADLO COCc1ccccc1C=C(C)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000814291574 1136434940 /nfs/dbraw/zinc/43/49/40/1136434940.db2.gz PZNJLJFZSDMOKZ-FOWTUZBSSA-N 1 2 348.450 3.811 20 0 EHADLO COCc1ccccc1C=C(C)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000814291574 1136434942 /nfs/dbraw/zinc/43/49/42/1136434942.db2.gz PZNJLJFZSDMOKZ-FOWTUZBSSA-N 1 2 348.450 3.811 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1C(=O)OC ZINC000338941861 1136435094 /nfs/dbraw/zinc/43/50/94/1136435094.db2.gz DZTDBLUSTXSIOB-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1C(=O)OC ZINC000338941861 1136435095 /nfs/dbraw/zinc/43/50/95/1136435095.db2.gz DZTDBLUSTXSIOB-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852127578 1136435412 /nfs/dbraw/zinc/43/54/12/1136435412.db2.gz VBEVKAQIEKGREX-AAEUAGOBSA-N 1 2 347.846 3.695 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852127578 1136435415 /nfs/dbraw/zinc/43/54/15/1136435415.db2.gz VBEVKAQIEKGREX-AAEUAGOBSA-N 1 2 347.846 3.695 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000338942103 1136438551 /nfs/dbraw/zinc/43/85/51/1136438551.db2.gz PNKGXNWZEXICME-INIZCTEOSA-N 1 2 347.484 3.544 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000338942103 1136438555 /nfs/dbraw/zinc/43/85/55/1136438555.db2.gz PNKGXNWZEXICME-INIZCTEOSA-N 1 2 347.484 3.544 20 0 EHADLO CC[N@H+](Cn1nnn(Cc2cccs2)c1=S)C1CCCCC1 ZINC000747949426 1136461245 /nfs/dbraw/zinc/46/12/45/1136461245.db2.gz OKMZYPYFZRAOSZ-UHFFFAOYSA-N 1 2 337.518 3.531 20 0 EHADLO CC[N@@H+](Cn1nnn(Cc2cccs2)c1=S)C1CCCCC1 ZINC000747949426 1136461249 /nfs/dbraw/zinc/46/12/49/1136461249.db2.gz OKMZYPYFZRAOSZ-UHFFFAOYSA-N 1 2 337.518 3.531 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948191 1136468769 /nfs/dbraw/zinc/46/87/69/1136468769.db2.gz OIWUPGYJQAEVFP-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948191 1136468771 /nfs/dbraw/zinc/46/87/71/1136468771.db2.gz OIWUPGYJQAEVFP-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111171748 1136518887 /nfs/dbraw/zinc/51/88/87/1136518887.db2.gz PJVULDKCJLQQKA-CYBMUJFWSA-N 1 2 334.876 3.849 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111171748 1136518890 /nfs/dbraw/zinc/51/88/90/1136518890.db2.gz PJVULDKCJLQQKA-CYBMUJFWSA-N 1 2 334.876 3.849 20 0 EHADLO C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000747985082 1136525653 /nfs/dbraw/zinc/52/56/53/1136525653.db2.gz FWCGGOXQZMNWIQ-LBPRGKRZSA-N 1 2 334.872 3.845 20 0 EHADLO C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000747985082 1136525656 /nfs/dbraw/zinc/52/56/56/1136525656.db2.gz FWCGGOXQZMNWIQ-LBPRGKRZSA-N 1 2 334.872 3.845 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000853494943 1136537988 /nfs/dbraw/zinc/53/79/88/1136537988.db2.gz QHNUYLCORJVBSH-LBPRGKRZSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000853494943 1136537989 /nfs/dbraw/zinc/53/79/89/1136537989.db2.gz QHNUYLCORJVBSH-LBPRGKRZSA-N 1 2 346.352 3.507 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](CN1C[C@@H](c3ccccn3)CC1=O)CC2 ZINC000853534144 1136542238 /nfs/dbraw/zinc/54/22/38/1136542238.db2.gz PPGGHQNAGJJSSR-FQEVSTJZSA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](CN1C[C@@H](c3ccccn3)CC1=O)CC2 ZINC000853534144 1136542240 /nfs/dbraw/zinc/54/22/40/1136542240.db2.gz PPGGHQNAGJJSSR-FQEVSTJZSA-N 1 2 349.478 3.537 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc2c(cccc2F)[nH]1 ZINC000338956561 1136544155 /nfs/dbraw/zinc/54/41/55/1136544155.db2.gz KBOSPKPAHMEXOQ-UHFFFAOYSA-N 1 2 345.443 3.507 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc2c(cccc2F)[nH]1 ZINC000338956561 1136544157 /nfs/dbraw/zinc/54/41/57/1136544157.db2.gz KBOSPKPAHMEXOQ-UHFFFAOYSA-N 1 2 345.443 3.507 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)cc1 ZINC000815065517 1136546025 /nfs/dbraw/zinc/54/60/25/1136546025.db2.gz GDTKVXFEXPTRAD-HNNXBMFYSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(Br)c2)cc1 ZINC000815065517 1136546031 /nfs/dbraw/zinc/54/60/31/1136546031.db2.gz GDTKVXFEXPTRAD-HNNXBMFYSA-N 1 2 333.229 3.887 20 0 EHADLO CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc[nH+]c2N)cc1 ZINC000853675010 1136554657 /nfs/dbraw/zinc/55/46/57/1136554657.db2.gz MOGCUJMLLMPRIA-UHFFFAOYSA-N 1 2 329.400 3.614 20 0 EHADLO CC1(C)C[N@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1cccnc1 ZINC000854042007 1136582920 /nfs/dbraw/zinc/58/29/20/1136582920.db2.gz UQOZNOLDFOLVDY-MSOLQXFVSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1cccnc1 ZINC000854042007 1136582922 /nfs/dbraw/zinc/58/29/22/1136582922.db2.gz UQOZNOLDFOLVDY-MSOLQXFVSA-N 1 2 343.471 3.618 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000854488102 1136620232 /nfs/dbraw/zinc/62/02/32/1136620232.db2.gz ARRJSHBMZDFRPS-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001135241130 1136642176 /nfs/dbraw/zinc/64/21/76/1136642176.db2.gz RVSZNWSLQCJZFB-KGLIPLIRSA-N 1 2 347.409 3.565 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1ncc(Cl)c(Cl)c1=O ZINC000112694838 1136647250 /nfs/dbraw/zinc/64/72/50/1136647250.db2.gz PWQKDIXUGSCJIE-HNNXBMFYSA-N 1 2 340.254 3.837 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1ncc(Cl)c(Cl)c1=O ZINC000112694838 1136647254 /nfs/dbraw/zinc/64/72/54/1136647254.db2.gz PWQKDIXUGSCJIE-HNNXBMFYSA-N 1 2 340.254 3.837 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H]2CC3CCC2CC3)[nH+]1 ZINC000815947865 1136650910 /nfs/dbraw/zinc/65/09/10/1136650910.db2.gz RQOMRBHFVUEQIF-FAFZWHIHSA-N 1 2 331.456 3.709 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(CC)CC ZINC000776792509 1136666259 /nfs/dbraw/zinc/66/62/59/1136666259.db2.gz PWCRLIGAOIOXEJ-RTBURBONSA-N 1 2 332.488 3.919 20 0 EHADLO CC(C)(C)CC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001135640836 1136739691 /nfs/dbraw/zinc/73/96/91/1136739691.db2.gz SJSNMUVGNLYLDQ-UHFFFAOYSA-N 1 2 346.515 3.597 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000776865780 1136749556 /nfs/dbraw/zinc/74/95/56/1136749556.db2.gz KEZATNGNMMEBSP-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1CC ZINC001135789953 1136772099 /nfs/dbraw/zinc/77/20/99/1136772099.db2.gz GRJSZGLWWDKCQV-UHFFFAOYSA-N 1 2 342.508 3.831 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC000338998283 1136801007 /nfs/dbraw/zinc/80/10/07/1136801007.db2.gz GYDAWRBWSLKYSN-UHFFFAOYSA-N 1 2 343.471 3.658 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC000338998283 1136801009 /nfs/dbraw/zinc/80/10/09/1136801009.db2.gz GYDAWRBWSLKYSN-UHFFFAOYSA-N 1 2 343.471 3.658 20 0 EHADLO Cc1cc(CNC(=O)c2ccnc(SC(C)(C)C)c2)cc(C)[nH+]1 ZINC000817458418 1136807868 /nfs/dbraw/zinc/80/78/68/1136807868.db2.gz HLCXKAWUDKFPDB-UHFFFAOYSA-N 1 2 329.469 3.914 20 0 EHADLO Cc1nnsc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856777094 1136810548 /nfs/dbraw/zinc/81/05/48/1136810548.db2.gz PQCCANSIKKLBJQ-ZCFIWIBFSA-N 1 2 336.770 3.765 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230646 1136868264 /nfs/dbraw/zinc/86/82/64/1136868264.db2.gz QVIWHSCGYWJQTB-MJGOQNOKSA-N 1 2 333.378 3.844 20 0 EHADLO CO[C@H]1C[C@H]2C[C@H]([NH2+]c3ccc(N4CCO[C@H](C)C4)cc3)C[C@H]2C1 ZINC000818337301 1136871707 /nfs/dbraw/zinc/87/17/07/1136871707.db2.gz IWNKWVQHCRYVSS-LAFLPAGMSA-N 1 2 330.472 3.527 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512123 1136903201 /nfs/dbraw/zinc/90/32/01/1136903201.db2.gz MGNQYKZMTVNBQB-JSGCOSHPSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512123 1136903203 /nfs/dbraw/zinc/90/32/03/1136903203.db2.gz MGNQYKZMTVNBQB-JSGCOSHPSA-N 1 2 334.514 3.576 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(F)(F)c1cccc(Cl)c1Cl ZINC000857976934 1136926743 /nfs/dbraw/zinc/92/67/43/1136926743.db2.gz OTNUFDYVPZBLAW-SNVBAGLBSA-N 1 2 346.164 3.543 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857986453 1136927300 /nfs/dbraw/zinc/92/73/00/1136927300.db2.gz VLKNVDPXLGYWRX-KOTGUFOOSA-N 1 2 335.329 3.566 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2occc2Br)C2CC2)cn1 ZINC000858341249 1136959439 /nfs/dbraw/zinc/95/94/39/1136959439.db2.gz AMNRMHKEDKEJHK-HNNXBMFYSA-N 1 2 337.217 3.687 20 0 EHADLO CCC[C@@H](C)CCC[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000858467808 1136970354 /nfs/dbraw/zinc/97/03/54/1136970354.db2.gz UKRZPWJBPSUCOP-HZPDHXFCSA-N 1 2 331.508 3.828 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3ccc(Cl)cc32)c[nH+]1 ZINC000858524101 1136975974 /nfs/dbraw/zinc/97/59/74/1136975974.db2.gz DXNTUGJBHSMGPJ-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccns2)nnn1-c1ccc(C)cc1 ZINC000858577125 1136980129 /nfs/dbraw/zinc/98/01/29/1136980129.db2.gz HYMVPXSBLHYSCX-QWHCGFSZSA-N 1 2 327.457 3.752 20 0 EHADLO O=C(/C=C/c1cccs1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820509445 1136995336 /nfs/dbraw/zinc/99/53/36/1136995336.db2.gz FYSZQBYTPLCBBL-VOTSOKGWSA-N 1 2 343.839 3.917 20 0 EHADLO Clc1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccoc1 ZINC000820806649 1137005019 /nfs/dbraw/zinc/00/50/19/1137005019.db2.gz NEVMDCZPITYWNC-MRXNPFEDSA-N 1 2 342.830 3.544 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820862766 1137006963 /nfs/dbraw/zinc/00/69/63/1137006963.db2.gz WPWXTWGWOZGAFD-MFKMUULPSA-N 1 2 341.333 3.527 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC000859247205 1137009454 /nfs/dbraw/zinc/00/94/54/1137009454.db2.gz QIZMXIXCDNAFBL-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cn1nc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1Cl ZINC000859279337 1137010297 /nfs/dbraw/zinc/01/02/97/1137010297.db2.gz OXKCTHSPDCONET-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO Cn1nc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1Cl ZINC000859279337 1137010300 /nfs/dbraw/zinc/01/03/00/1137010300.db2.gz OXKCTHSPDCONET-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO C/C(=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000116643823 1137010890 /nfs/dbraw/zinc/01/08/90/1137010890.db2.gz NTWQDIBYCXVWLW-ICFOKQHNSA-N 1 2 336.435 3.561 20 0 EHADLO Cn1nc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cc1Cl ZINC000859336333 1137011895 /nfs/dbraw/zinc/01/18/95/1137011895.db2.gz NXNVRCVPARMVAP-UHFFFAOYSA-N 1 2 345.752 3.751 20 0 EHADLO Clc1ncccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859831075 1137033625 /nfs/dbraw/zinc/03/36/25/1137033625.db2.gz LRAXHKALJWRPPD-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)[C@H]2CCC[C@H]21 ZINC000859955301 1137038599 /nfs/dbraw/zinc/03/85/99/1137038599.db2.gz UDWXKZBVKBQCAO-XQQFMLRXSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)[C@H]2CCC[C@H]21 ZINC000859955301 1137038601 /nfs/dbraw/zinc/03/86/01/1137038601.db2.gz UDWXKZBVKBQCAO-XQQFMLRXSA-N 1 2 343.254 3.552 20 0 EHADLO C[C@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873442 1137041249 /nfs/dbraw/zinc/04/12/49/1137041249.db2.gz YVCNDUKCGAMDLG-XOBRGWDASA-N 1 2 338.426 3.765 20 0 EHADLO C[C@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873442 1137041251 /nfs/dbraw/zinc/04/12/51/1137041251.db2.gz YVCNDUKCGAMDLG-XOBRGWDASA-N 1 2 338.426 3.765 20 0 EHADLO C[C@]1(CCOC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000822040366 1137047444 /nfs/dbraw/zinc/04/74/44/1137047444.db2.gz KCRCIUGGQWBIHM-DLBZAZTESA-N 1 2 336.794 3.793 20 0 EHADLO C[N@H+](CCCNC(=O)C1CCC1)Cc1csc(C2CCCCC2)n1 ZINC000429547065 1137060494 /nfs/dbraw/zinc/06/04/94/1137060494.db2.gz KBISGINNVNXFDN-UHFFFAOYSA-N 1 2 349.544 3.929 20 0 EHADLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1csc(C2CCCCC2)n1 ZINC000429547065 1137060495 /nfs/dbraw/zinc/06/04/95/1137060495.db2.gz KBISGINNVNXFDN-UHFFFAOYSA-N 1 2 349.544 3.929 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000822710464 1137071528 /nfs/dbraw/zinc/07/15/28/1137071528.db2.gz QCEKEMQDNBDIBG-IBGZPJMESA-N 1 2 347.418 3.557 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001136624387 1137072565 /nfs/dbraw/zinc/07/25/65/1137072565.db2.gz UEVTWUMSVRFZEX-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cc1cc(NC(=O)[C@@]2(C)OCCc3ccccc32)ccc1-n1cc[nH+]c1 ZINC001136625699 1137073368 /nfs/dbraw/zinc/07/33/68/1137073368.db2.gz UKUBPJXRCILWEC-NRFANRHFSA-N 1 2 347.418 3.607 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCn2c(Cl)ccc2[C@H]1C)n1cc[nH+]c1 ZINC000822974149 1137081538 /nfs/dbraw/zinc/08/15/38/1137081538.db2.gz YRFUVKZSLCKTLQ-UKRRQHHQSA-N 1 2 334.851 3.529 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@@H+]1Cc3cc(Br)cnc3C1)CC2 ZINC001171002310 1137083594 /nfs/dbraw/zinc/08/35/94/1137083594.db2.gz VJDSLGXNKPEAQF-AWEZNQCLSA-N 1 2 347.231 3.856 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@H+]1Cc3cc(Br)cnc3C1)CC2 ZINC001171002310 1137083596 /nfs/dbraw/zinc/08/35/96/1137083596.db2.gz VJDSLGXNKPEAQF-AWEZNQCLSA-N 1 2 347.231 3.856 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3c(C4CCC4)cnn3C)c2)[nH+]c1C ZINC000823353799 1137095917 /nfs/dbraw/zinc/09/59/17/1137095917.db2.gz TUJPCDZHJOWQRJ-UHFFFAOYSA-N 1 2 349.438 3.947 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(C(C)(C)C2CCCCC2)n1 ZINC000823394226 1137097933 /nfs/dbraw/zinc/09/79/33/1137097933.db2.gz WESZFAODTKLVDF-ZDUSSCGKSA-N 1 2 337.464 3.659 20 0 EHADLO CC(C)c1ncsc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823399901 1137098498 /nfs/dbraw/zinc/09/84/98/1137098498.db2.gz CDEHHLCEMVDHSB-SECBINFHSA-N 1 2 332.351 3.595 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)no1 ZINC000823404528 1137098550 /nfs/dbraw/zinc/09/85/50/1137098550.db2.gz RSOASUYJYNYZSX-QGZVFWFLSA-N 1 2 328.412 3.872 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)no1 ZINC000823404528 1137098552 /nfs/dbraw/zinc/09/85/52/1137098552.db2.gz RSOASUYJYNYZSX-QGZVFWFLSA-N 1 2 328.412 3.872 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nn(CC)nc3C)oc21 ZINC000823608174 1137106511 /nfs/dbraw/zinc/10/65/11/1137106511.db2.gz DMIKVFUUSYBICN-ZDUSSCGKSA-N 1 2 328.416 3.602 20 0 EHADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCc1[nH+]ccn1C ZINC001136763101 1137109465 /nfs/dbraw/zinc/10/94/65/1137109465.db2.gz JXPKCOMINACHMR-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000118397715 1137113595 /nfs/dbraw/zinc/11/35/95/1137113595.db2.gz VBSWCNHKPRZQKM-UHFFFAOYSA-N 1 2 329.893 3.519 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000118397715 1137113597 /nfs/dbraw/zinc/11/35/97/1137113597.db2.gz VBSWCNHKPRZQKM-UHFFFAOYSA-N 1 2 329.893 3.519 20 0 EHADLO C[N@H+](Cc1ccncc1)Cc1cc(Br)c(F)cc1F ZINC001136849615 1137131158 /nfs/dbraw/zinc/13/11/58/1137131158.db2.gz RCBJRRTZNXZLJP-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO C[N@@H+](Cc1ccncc1)Cc1cc(Br)c(F)cc1F ZINC001136849615 1137131159 /nfs/dbraw/zinc/13/11/59/1137131159.db2.gz RCBJRRTZNXZLJP-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO Fc1cc(F)c(C[NH+]2CCC3(CCCO3)CC2)cc1Br ZINC001136854403 1137132092 /nfs/dbraw/zinc/13/20/92/1137132092.db2.gz VMLCEDFYQFPPOI-UHFFFAOYSA-N 1 2 346.215 3.872 20 0 EHADLO CCOC(=O)C1(F)CC[NH+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136861323 1137133837 /nfs/dbraw/zinc/13/38/37/1137133837.db2.gz WNMCOGICLHTUDU-UHFFFAOYSA-N 1 2 338.810 3.689 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[NH2+]Cc1ccnc(Cl)c1F ZINC000824363345 1137134793 /nfs/dbraw/zinc/13/47/93/1137134793.db2.gz BLUALOFDQYZVAA-UHFFFAOYSA-N 1 2 337.801 3.903 20 0 EHADLO Cc1[nH]c(CN2C[C@H](C)Oc3ccc(Br)cc32)[nH+]c1C ZINC000862348744 1137139324 /nfs/dbraw/zinc/13/93/24/1137139324.db2.gz GBHCPLPCPBEIIC-VIFPVBQESA-N 1 2 336.233 3.577 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824527413 1137141440 /nfs/dbraw/zinc/14/14/40/1137141440.db2.gz VNNNRPZESLSWNW-KRWDZBQOSA-N 1 2 335.455 3.601 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136930187 1137150200 /nfs/dbraw/zinc/15/02/00/1137150200.db2.gz BBYMAOOWQIUHQP-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cn1 ZINC001136930187 1137150202 /nfs/dbraw/zinc/15/02/02/1137150202.db2.gz BBYMAOOWQIUHQP-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1cccn2c(CN(Cc3ccccn3)Cc3ccccn3)c[nH+]c12 ZINC001136958628 1137156882 /nfs/dbraw/zinc/15/68/82/1137156882.db2.gz XSWAIFXZZRLBSZ-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Cn1ncc(C[NH2+]C2(c3ccccc3Br)CCCCC2)n1 ZINC000824964212 1137157375 /nfs/dbraw/zinc/15/73/75/1137157375.db2.gz ODBIWSLJIPPBIV-UHFFFAOYSA-N 1 2 349.276 3.527 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cncc(Cl)c4)C[C@H]3O2)n1 ZINC001136991399 1137166069 /nfs/dbraw/zinc/16/60/69/1137166069.db2.gz RKSLWODIONOHEP-NUEKZKHPSA-N 1 2 349.887 3.852 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cncc(Cl)c4)C[C@H]3O2)n1 ZINC001136991399 1137166070 /nfs/dbraw/zinc/16/60/70/1137166070.db2.gz RKSLWODIONOHEP-NUEKZKHPSA-N 1 2 349.887 3.852 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)no1 ZINC001136995417 1137167497 /nfs/dbraw/zinc/16/74/97/1137167497.db2.gz JNNKKHLMBYAIAV-JTQLQIEISA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@@H+](Cc3cncc(Cl)c3)C2)no1 ZINC001136995417 1137167499 /nfs/dbraw/zinc/16/74/99/1137167499.db2.gz JNNKKHLMBYAIAV-JTQLQIEISA-N 1 2 346.740 3.516 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)no1 ZINC001171075937 1137169001 /nfs/dbraw/zinc/16/90/01/1137169001.db2.gz ZVWQWFIMUBKUIF-LBPRGKRZSA-N 1 2 326.227 3.674 20 0 EHADLO Cc1nc(C[N@H+](C)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)no1 ZINC001171075937 1137169002 /nfs/dbraw/zinc/16/90/02/1137169002.db2.gz ZVWQWFIMUBKUIF-LBPRGKRZSA-N 1 2 326.227 3.674 20 0 EHADLO COc1ncc(C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1C ZINC001137007401 1137170195 /nfs/dbraw/zinc/17/01/95/1137170195.db2.gz BYEIAPGFKYEVFY-LJQANCHMSA-N 1 2 346.858 3.800 20 0 EHADLO COc1ncc(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1C ZINC001137007401 1137170196 /nfs/dbraw/zinc/17/01/96/1137170196.db2.gz BYEIAPGFKYEVFY-LJQANCHMSA-N 1 2 346.858 3.800 20 0 EHADLO C[C@@H](CC(=O)NCc1cn(C(F)F)c2ccccc12)n1cc[nH+]c1 ZINC000863132552 1137171180 /nfs/dbraw/zinc/17/11/80/1137171180.db2.gz DJYDGJKGUUQCQL-LBPRGKRZSA-N 1 2 332.354 3.500 20 0 EHADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc2cc[nH]c21 ZINC000825278927 1137171247 /nfs/dbraw/zinc/17/12/47/1137171247.db2.gz LAWSYOPBJJBNFA-ZDUSSCGKSA-N 1 2 336.317 3.521 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000780429253 1137172908 /nfs/dbraw/zinc/17/29/08/1137172908.db2.gz ABJGFCAZUTZZMG-QGZVFWFLSA-N 1 2 342.405 3.700 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000780429253 1137172910 /nfs/dbraw/zinc/17/29/10/1137172910.db2.gz ABJGFCAZUTZZMG-QGZVFWFLSA-N 1 2 342.405 3.700 20 0 EHADLO CC(C)C[C@@H](C(=O)N1C[C@@H](C)CN(C)c2ccccc21)n1cc[nH+]c1 ZINC001137022491 1137173674 /nfs/dbraw/zinc/17/36/74/1137173674.db2.gz GZEUKLMNOFXQOB-LPHOPBHVSA-N 1 2 340.471 3.589 20 0 EHADLO CCCOCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000863217759 1137175164 /nfs/dbraw/zinc/17/51/64/1137175164.db2.gz SOAHVFJLRHRMLA-LBPRGKRZSA-N 1 2 338.452 3.505 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341317 1137181517 /nfs/dbraw/zinc/18/15/17/1137181517.db2.gz WHVAAEDERPROKU-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341317 1137181519 /nfs/dbraw/zinc/18/15/19/1137181519.db2.gz WHVAAEDERPROKU-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341185 1137181739 /nfs/dbraw/zinc/18/17/39/1137181739.db2.gz WDCPGTUNDOTWNL-SFAKSCPVSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341185 1137181741 /nfs/dbraw/zinc/18/17/41/1137181741.db2.gz WDCPGTUNDOTWNL-SFAKSCPVSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342195 1137182086 /nfs/dbraw/zinc/18/20/86/1137182086.db2.gz YQRAKAYXOHZEEX-PYLYLYNFSA-N 1 2 338.546 3.910 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342195 1137182088 /nfs/dbraw/zinc/18/20/88/1137182088.db2.gz YQRAKAYXOHZEEX-PYLYLYNFSA-N 1 2 338.546 3.910 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000119444678 1137186168 /nfs/dbraw/zinc/18/61/68/1137186168.db2.gz GDNUGBQIGNXPNT-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000119444678 1137186170 /nfs/dbraw/zinc/18/61/70/1137186170.db2.gz GDNUGBQIGNXPNT-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)NCCOc1cc[nH+]cc1 ZINC001143707688 1137192610 /nfs/dbraw/zinc/19/26/10/1137192610.db2.gz OAVJDCQGEXPFLR-UHFFFAOYSA-N 1 2 346.430 3.799 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(Cl)c1 ZINC001143709462 1137192639 /nfs/dbraw/zinc/19/26/39/1137192639.db2.gz DTCCKLIEWTZUQN-PWSUYJOCSA-N 1 2 341.707 3.825 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(Cl)c1 ZINC001143709462 1137192640 /nfs/dbraw/zinc/19/26/40/1137192640.db2.gz DTCCKLIEWTZUQN-PWSUYJOCSA-N 1 2 341.707 3.825 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143710704 1137192979 /nfs/dbraw/zinc/19/29/79/1137192979.db2.gz WTYMTGQLJSZELQ-NSHDSACASA-N 1 2 347.686 3.858 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143710704 1137192981 /nfs/dbraw/zinc/19/29/81/1137192981.db2.gz WTYMTGQLJSZELQ-NSHDSACASA-N 1 2 347.686 3.858 20 0 EHADLO CCOc1c(F)cc(C[N@H+](C)Cc2cc(C)nn2C)cc1Cl ZINC001143741990 1137195248 /nfs/dbraw/zinc/19/52/48/1137195248.db2.gz ZKIRAWVBSKWKPG-UHFFFAOYSA-N 1 2 325.815 3.552 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](C)Cc2cc(C)nn2C)cc1Cl ZINC001143741990 1137195249 /nfs/dbraw/zinc/19/52/49/1137195249.db2.gz ZKIRAWVBSKWKPG-UHFFFAOYSA-N 1 2 325.815 3.552 20 0 EHADLO CCCCC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844132730 1137200118 /nfs/dbraw/zinc/20/01/18/1137200118.db2.gz LLQNMUPKCWPKHX-HKUYNNGSSA-N 1 2 325.456 3.883 20 0 EHADLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866885 1137206417 /nfs/dbraw/zinc/20/64/17/1137206417.db2.gz OFYSBWGTNRAYBK-LLVKDONJSA-N 1 2 333.234 3.575 20 0 EHADLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866885 1137206418 /nfs/dbraw/zinc/20/64/18/1137206418.db2.gz OFYSBWGTNRAYBK-LLVKDONJSA-N 1 2 333.234 3.575 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C[C@H]1O ZINC001143880403 1137209196 /nfs/dbraw/zinc/20/91/96/1137209196.db2.gz SAYGDGSPVDBXHC-WRWORJQWSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C[C@H]1O ZINC001143880403 1137209197 /nfs/dbraw/zinc/20/91/97/1137209197.db2.gz SAYGDGSPVDBXHC-WRWORJQWSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(OCC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000844399305 1137217066 /nfs/dbraw/zinc/21/70/66/1137217066.db2.gz BGDFKRHPOOHRIO-LBPRGKRZSA-N 1 2 342.317 3.519 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000844424637 1137219754 /nfs/dbraw/zinc/21/97/54/1137219754.db2.gz JQOPUBCDEWKINF-LLVKDONJSA-N 1 2 330.881 3.883 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000844424637 1137219756 /nfs/dbraw/zinc/21/97/56/1137219756.db2.gz JQOPUBCDEWKINF-LLVKDONJSA-N 1 2 330.881 3.883 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(Oc3ncccc3C)CC2)c1F ZINC001143983249 1137220825 /nfs/dbraw/zinc/22/08/25/1137220825.db2.gz DVIJNVTUWKQOLN-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC001144004550 1137224895 /nfs/dbraw/zinc/22/48/95/1137224895.db2.gz DQKJIUVPYFYEDK-GFCCVEGCSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCn2cccc2[C@H]1C ZINC001144004550 1137224896 /nfs/dbraw/zinc/22/48/96/1137224896.db2.gz DQKJIUVPYFYEDK-GFCCVEGCSA-N 1 2 340.345 3.972 20 0 EHADLO C[C@@]1(O)CC[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144038026 1137232920 /nfs/dbraw/zinc/23/29/20/1137232920.db2.gz IKNGUEHGFZBVQX-GFCCVEGCSA-N 1 2 328.161 3.969 20 0 EHADLO C[C@@]1(O)CC[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144038026 1137232922 /nfs/dbraw/zinc/23/29/22/1137232922.db2.gz IKNGUEHGFZBVQX-GFCCVEGCSA-N 1 2 328.161 3.969 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1Cl ZINC001144135694 1137242692 /nfs/dbraw/zinc/24/26/92/1137242692.db2.gz ZGXOMSFOPIYLRF-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCCN(c3cccnc3)CC2)cc1Cl ZINC001144135694 1137242693 /nfs/dbraw/zinc/24/26/93/1137242693.db2.gz ZGXOMSFOPIYLRF-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)cn1C ZINC001212613414 1137243586 /nfs/dbraw/zinc/24/35/86/1137243586.db2.gz SHFHAMOZJPHMLN-UHFFFAOYSA-N 1 2 342.443 3.719 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844687850 1137244487 /nfs/dbraw/zinc/24/44/87/1137244487.db2.gz ITBNAMOUUIWKRR-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844687850 1137244488 /nfs/dbraw/zinc/24/44/88/1137244488.db2.gz ITBNAMOUUIWKRR-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144171638 1137247425 /nfs/dbraw/zinc/24/74/25/1137247425.db2.gz FCNAWNCPYSDXMJ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144171638 1137247426 /nfs/dbraw/zinc/24/74/26/1137247426.db2.gz FCNAWNCPYSDXMJ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N(CC1CC1)C1CCC1 ZINC000794759568 1137248479 /nfs/dbraw/zinc/24/84/79/1137248479.db2.gz ADJZTVSVFPZLAB-UHFFFAOYSA-N 1 2 348.516 3.925 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000015416928 1137258262 /nfs/dbraw/zinc/25/82/62/1137258262.db2.gz SIGAXMYYLMGXGG-CQSZACIVSA-N 1 2 334.419 3.660 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000015416928 1137258263 /nfs/dbraw/zinc/25/82/63/1137258263.db2.gz SIGAXMYYLMGXGG-CQSZACIVSA-N 1 2 334.419 3.660 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000844890802 1137260673 /nfs/dbraw/zinc/26/06/73/1137260673.db2.gz JTYVKAZGBQHTOI-UHFFFAOYSA-N 1 2 328.460 3.928 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158737 1137265874 /nfs/dbraw/zinc/26/58/74/1137265874.db2.gz MNHJYHGWMCXLSK-KFXIKWRMSA-N 1 2 349.356 3.693 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cccc(CC)c2)Cc2nn(CC)cc21 ZINC001144321629 1137272067 /nfs/dbraw/zinc/27/20/67/1137272067.db2.gz SWOWIBQTGAWVKW-GOSISDBHSA-N 1 2 327.472 3.601 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cccc(CC)c2)Cc2nn(CC)cc21 ZINC001144321629 1137272069 /nfs/dbraw/zinc/27/20/69/1137272069.db2.gz SWOWIBQTGAWVKW-GOSISDBHSA-N 1 2 327.472 3.601 20 0 EHADLO Brc1ncccc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000865290391 1137274791 /nfs/dbraw/zinc/27/47/91/1137274791.db2.gz XFSPVUHBFAHQOD-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO CN(C[Si](C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001144344556 1137276389 /nfs/dbraw/zinc/27/63/89/1137276389.db2.gz VLQJXCACFLZXEK-INIZCTEOSA-N 1 2 338.955 3.640 20 0 EHADLO CN(C[Si](C)(C)C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001144344556 1137276390 /nfs/dbraw/zinc/27/63/90/1137276390.db2.gz VLQJXCACFLZXEK-INIZCTEOSA-N 1 2 338.955 3.640 20 0 EHADLO Cc1ccn2cc(C[N@@H+](C)Cc3ccc(O)cc3C(F)(F)F)nc2c1 ZINC001144394337 1137281347 /nfs/dbraw/zinc/28/13/47/1137281347.db2.gz UQMBTLWLSHLJRC-UHFFFAOYSA-N 1 2 349.356 3.999 20 0 EHADLO Cc1ccn2cc(C[N@H+](C)Cc3ccc(O)cc3C(F)(F)F)nc2c1 ZINC001144394337 1137281348 /nfs/dbraw/zinc/28/13/48/1137281348.db2.gz UQMBTLWLSHLJRC-UHFFFAOYSA-N 1 2 349.356 3.999 20 0 EHADLO C[C@@H](CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000845280127 1137283173 /nfs/dbraw/zinc/28/31/73/1137283173.db2.gz RZRGQMUANZPRAQ-JTQLQIEISA-N 1 2 341.194 3.567 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845280110 1137283356 /nfs/dbraw/zinc/28/33/56/1137283356.db2.gz ROUYANRTFNGQEF-GJZGRUSLSA-N 1 2 343.427 3.530 20 0 EHADLO C[C@H](CC(=O)OCCCOc1cccc2ccccc21)n1cc[nH+]c1 ZINC000845280037 1137283402 /nfs/dbraw/zinc/28/34/02/1137283402.db2.gz AXGYLRJGLROWHM-MRXNPFEDSA-N 1 2 338.407 4.000 20 0 EHADLO CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000845283152 1137283510 /nfs/dbraw/zinc/28/35/10/1137283510.db2.gz UBEVTSSGTMPKON-DOMZBBRYSA-N 1 2 334.803 3.692 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](OC(=O)C[C@@H](C)n3cc[nH+]c3)CCO2)cc1 ZINC000845498674 1137295310 /nfs/dbraw/zinc/29/53/10/1137295310.db2.gz IQCMIHZGULDIDH-NJAFHUGGSA-N 1 2 328.412 3.606 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000845582057 1137299687 /nfs/dbraw/zinc/29/96/87/1137299687.db2.gz JNHUGYKSBANUKC-ZWKOTPCHSA-N 1 2 342.414 3.781 20 0 EHADLO Cc1nnc2ccc(Nc3ccc(N(C)C4CCCCC4)[nH+]c3)cn12 ZINC001212614596 1137301052 /nfs/dbraw/zinc/30/10/52/1137301052.db2.gz QRKCHSDXOQANHT-UHFFFAOYSA-N 1 2 336.443 3.945 20 0 EHADLO Cc1nocc1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000865677673 1137303872 /nfs/dbraw/zinc/30/38/72/1137303872.db2.gz HHAKPIZUSCHZSP-UHFFFAOYSA-N 1 2 334.782 3.559 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000865729540 1137307346 /nfs/dbraw/zinc/30/73/46/1137307346.db2.gz KHNCUQXTYYHZFO-UHFFFAOYSA-N 1 2 337.423 3.579 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c(F)c1 ZINC001144555124 1137308970 /nfs/dbraw/zinc/30/89/70/1137308970.db2.gz WELNENQYTPNZEB-UHFFFAOYSA-N 1 2 337.341 3.853 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cs1 ZINC000845775939 1137310495 /nfs/dbraw/zinc/31/04/95/1137310495.db2.gz NIKCCVONPZWMIY-HYVNUMGLSA-N 1 2 348.512 3.643 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cnc(-c3cccs3)s2)n1 ZINC000865808462 1137313328 /nfs/dbraw/zinc/31/33/28/1137313328.db2.gz LWDAYQMMQBDINL-UHFFFAOYSA-N 1 2 340.424 3.833 20 0 EHADLO c1[nH+]c(CN2CCC3(CCc4ccccc4O3)CC2)c2ccccn12 ZINC001144625764 1137318211 /nfs/dbraw/zinc/31/82/11/1137318211.db2.gz SEWMXUCWTBCQAQ-UHFFFAOYSA-N 1 2 333.435 3.694 20 0 EHADLO C[N@H+](Cc1ncn2ccccc12)Cc1ccc(Br)cc1 ZINC001144622250 1137319383 /nfs/dbraw/zinc/31/93/83/1137319383.db2.gz HPJVJUTVKSFTBK-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[N@@H+](Cc1ncn2ccccc12)Cc1ccc(Br)cc1 ZINC001144622250 1137319384 /nfs/dbraw/zinc/31/93/84/1137319384.db2.gz HPJVJUTVKSFTBK-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1F ZINC000846012622 1137325671 /nfs/dbraw/zinc/32/56/71/1137325671.db2.gz GHAMPTKUSZONFV-LKFCYVNXSA-N 1 2 329.202 3.739 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(Cl)oc3ccccc32)C1 ZINC000846018818 1137326336 /nfs/dbraw/zinc/32/63/36/1137326336.db2.gz PTYKNRGLKPKHOL-GFCCVEGCSA-N 1 2 343.814 3.840 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000794891272 1137327736 /nfs/dbraw/zinc/32/77/36/1137327736.db2.gz DWBVUWVOYGVIEG-IBGZPJMESA-N 1 2 342.439 3.823 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000794891272 1137327737 /nfs/dbraw/zinc/32/77/37/1137327737.db2.gz DWBVUWVOYGVIEG-IBGZPJMESA-N 1 2 342.439 3.823 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)CCCn1cc[nH+]c1 ZINC000120926946 1137332650 /nfs/dbraw/zinc/33/26/50/1137332650.db2.gz FLDIKDZFRRQOHI-PKOBYXMFSA-N 1 2 342.439 3.627 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H](F)C1 ZINC001144710247 1137336116 /nfs/dbraw/zinc/33/61/16/1137336116.db2.gz LFIFZYLQIJGWRN-INIZCTEOSA-N 1 2 347.434 3.559 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H](F)C1 ZINC001144710247 1137336118 /nfs/dbraw/zinc/33/61/18/1137336118.db2.gz LFIFZYLQIJGWRN-INIZCTEOSA-N 1 2 347.434 3.559 20 0 EHADLO CC(C)CC(=O)NC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144725964 1137336702 /nfs/dbraw/zinc/33/67/02/1137336702.db2.gz CBFDOCVJZJENON-UHFFFAOYSA-N 1 2 344.833 3.745 20 0 EHADLO CCCC(=O)Nc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866234048 1137337335 /nfs/dbraw/zinc/33/73/35/1137337335.db2.gz KFUMCFLNYCWULW-XLIONFOSSA-N 1 2 342.414 3.987 20 0 EHADLO FC1(F)CN(Cc2cccc3cc[nH]c32)CC[C@H]1[NH+]1CCCCC1 ZINC001144721697 1137338677 /nfs/dbraw/zinc/33/86/77/1137338677.db2.gz ZDEOYGFPADYQEC-QGZVFWFLSA-N 1 2 333.426 3.863 20 0 EHADLO CCOc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)ccc1OC ZINC000866266553 1137340883 /nfs/dbraw/zinc/34/08/83/1137340883.db2.gz LBQWQXATISZOEK-BEFAXECRSA-N 1 2 331.387 3.655 20 0 EHADLO c1ccn(-c2ccc(NCCC3CCC4(CC3)OCCO4)[nH+]c2)c1 ZINC001171220133 1137344113 /nfs/dbraw/zinc/34/41/13/1137344113.db2.gz AXYFBGXFKHFCSY-UHFFFAOYSA-N 1 2 327.428 3.608 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc([S@](C)=O)cc1 ZINC000866310332 1137344367 /nfs/dbraw/zinc/34/43/67/1137344367.db2.gz MQIIJGRYSIDBRV-UTYIPXEPSA-N 1 2 333.428 3.546 20 0 EHADLO COCCCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866309329 1137344381 /nfs/dbraw/zinc/34/43/81/1137344381.db2.gz NRRKGSZBTULRDQ-QUCCMNQESA-N 1 2 345.414 3.663 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c2ccccc21 ZINC000866313011 1137344832 /nfs/dbraw/zinc/34/48/32/1137344832.db2.gz UGZGEYXSHWAQBB-ABSDTBQOSA-N 1 2 340.398 3.546 20 0 EHADLO C[C@H](CCc1cccnc1)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000866332905 1137346391 /nfs/dbraw/zinc/34/63/91/1137346391.db2.gz CMYIFIOIHXDGIM-BRWVUGGUSA-N 1 2 340.471 3.523 20 0 EHADLO CC(C)[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccccn1 ZINC000866334639 1137346692 /nfs/dbraw/zinc/34/66/92/1137346692.db2.gz WECCJBHQTYICKW-QINHECLXSA-N 1 2 340.471 3.899 20 0 EHADLO c1ccn(-c2ccc[nH+]c2NCCC2CCC3(CC2)OCCO3)c1 ZINC001171221113 1137346846 /nfs/dbraw/zinc/34/68/46/1137346846.db2.gz WMEXMOOSONNUSC-UHFFFAOYSA-N 1 2 327.428 3.608 20 0 EHADLO c1cc2cccc3c2c(c1)CC[C@@H]3[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000866384942 1137350849 /nfs/dbraw/zinc/35/08/49/1137350849.db2.gz PQJTZSSBGJHNPK-IRXDYDNUSA-N 1 2 334.423 3.587 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC000866483409 1137358341 /nfs/dbraw/zinc/35/83/41/1137358341.db2.gz HTMLLONSYXVRJO-CQSZACIVSA-N 1 2 327.428 3.591 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)on1 ZINC000866514255 1137360368 /nfs/dbraw/zinc/36/03/68/1137360368.db2.gz IMCRPMCZDOCCBC-ZDUSSCGKSA-N 1 2 340.379 3.962 20 0 EHADLO CC(C)(C)OCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846656163 1137360581 /nfs/dbraw/zinc/36/05/81/1137360581.db2.gz VFESKNLKBCNWHM-WKILWMFISA-N 1 2 333.476 3.516 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000846653564 1137360612 /nfs/dbraw/zinc/36/06/12/1137360612.db2.gz FMRGCTOKQPGRHE-CADBVGFASA-N 1 2 335.451 3.725 20 0 EHADLO C[C@]1(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@]1(F)Cl ZINC000846657591 1137360953 /nfs/dbraw/zinc/36/09/53/1137360953.db2.gz DSFPCEDSLMDOTQ-JCGIZDLHSA-N 1 2 349.837 3.753 20 0 EHADLO CCOc1cc(CNc2cc3cc[nH]c3c[nH+]2)ccc1OC(=O)CC ZINC000846777615 1137365087 /nfs/dbraw/zinc/36/50/87/1137365087.db2.gz QSCVYRIGNASYLL-UHFFFAOYSA-N 1 2 339.395 3.889 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCCOc3cc(F)ccc32)n1 ZINC000866565774 1137365114 /nfs/dbraw/zinc/36/51/14/1137365114.db2.gz QTAGRUAKPBVORX-ZDUSSCGKSA-N 1 2 325.334 3.500 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nn(C)cc3C(F)F)oc21 ZINC000866567531 1137365674 /nfs/dbraw/zinc/36/56/74/1137365674.db2.gz PYERGRIRAFRXRK-JTQLQIEISA-N 1 2 335.354 3.963 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000866581210 1137366677 /nfs/dbraw/zinc/36/66/77/1137366677.db2.gz CSCHPVJFQJJQFF-VLIAUNLRSA-N 1 2 348.450 3.965 20 0 EHADLO CCN1C[C@H](C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)OC1=O ZINC000846805758 1137368367 /nfs/dbraw/zinc/36/83/67/1137368367.db2.gz IEWWGVCIJKPRPS-UXHICEINSA-N 1 2 336.435 3.627 20 0 EHADLO CCN1C[C@H](C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)OC1=O ZINC000846805758 1137368369 /nfs/dbraw/zinc/36/83/69/1137368369.db2.gz IEWWGVCIJKPRPS-UXHICEINSA-N 1 2 336.435 3.627 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000866627413 1137371016 /nfs/dbraw/zinc/37/10/16/1137371016.db2.gz XVXHGQFVBDBPFJ-PXNSSMCTSA-N 1 2 347.478 3.685 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C3CC(c4ccccc4)C3)cc2)CC1 ZINC000866625700 1137371112 /nfs/dbraw/zinc/37/11/12/1137371112.db2.gz GEDXUYQDIHZIOR-UHFFFAOYSA-N 1 2 349.478 3.713 20 0 EHADLO Brc1ccc([C@@H]([NH2+]Cc2cnsn2)C2CCC2)cc1 ZINC000846843681 1137371438 /nfs/dbraw/zinc/37/14/38/1137371438.db2.gz AEXLZRRRORINLO-AWEZNQCLSA-N 1 2 338.274 3.932 20 0 EHADLO C[C@@H]([NH2+]CC1(Br)CC1)c1nc(C2CCCCC2)no1 ZINC000846858014 1137372500 /nfs/dbraw/zinc/37/25/00/1137372500.db2.gz BLUWLGQJBCITIV-SNVBAGLBSA-N 1 2 328.254 3.695 20 0 EHADLO C[C@H]([NH2+]CC1(Br)CC1)c1nc(C2CCCCC2)no1 ZINC000846858012 1137372596 /nfs/dbraw/zinc/37/25/96/1137372596.db2.gz BLUWLGQJBCITIV-JTQLQIEISA-N 1 2 328.254 3.695 20 0 EHADLO Cc1ccc(C2(C(=O)Nc3cccc4[nH+]ccn43)CCOCC2)cc1C ZINC000846889446 1137373867 /nfs/dbraw/zinc/37/38/67/1137373867.db2.gz NFTXPOQILIRNGI-UHFFFAOYSA-N 1 2 349.434 3.638 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nc(-c2ccccc2C)no1)OCC ZINC000846970858 1137377713 /nfs/dbraw/zinc/37/77/13/1137377713.db2.gz MCXANHOJKRZZHL-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nc(-c2ccccc2C)no1)OCC ZINC000846970858 1137377714 /nfs/dbraw/zinc/37/77/14/1137377714.db2.gz MCXANHOJKRZZHL-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO CC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000846951929 1137378766 /nfs/dbraw/zinc/37/87/66/1137378766.db2.gz SVXOUNUPACZFBM-UHFFFAOYSA-N 1 2 330.653 3.904 20 0 EHADLO CCO[C@H](C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C)C1CCCC1 ZINC000867943156 1137390683 /nfs/dbraw/zinc/39/06/83/1137390683.db2.gz NIXLRUMWZPEIKV-KRWDZBQOSA-N 1 2 327.428 3.919 20 0 EHADLO CCSc1cccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001147012805 1137398747 /nfs/dbraw/zinc/39/87/47/1137398747.db2.gz HMUZCUVWVUNKBO-UHFFFAOYSA-N 1 2 339.420 3.942 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCc1cccc(Cl)c1F ZINC001148300699 1137421645 /nfs/dbraw/zinc/42/16/45/1137421645.db2.gz PONNMQHIKSVNDF-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001148319074 1137422905 /nfs/dbraw/zinc/42/29/05/1137422905.db2.gz WKQZWHBPJXXGAH-KRWDZBQOSA-N 1 2 336.426 3.756 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1Cc1ccccc1 ZINC000045031733 1137427283 /nfs/dbraw/zinc/42/72/83/1137427283.db2.gz NVYGATHITIRZKA-HNNXBMFYSA-N 1 2 335.407 3.682 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001148631049 1137430372 /nfs/dbraw/zinc/43/03/72/1137430372.db2.gz DTDVCTWUHLNBRU-GFCCVEGCSA-N 1 2 326.425 3.659 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001148631049 1137430374 /nfs/dbraw/zinc/43/03/74/1137430374.db2.gz DTDVCTWUHLNBRU-GFCCVEGCSA-N 1 2 326.425 3.659 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000773000648 1137457760 /nfs/dbraw/zinc/45/77/60/1137457760.db2.gz YBNBUYOMDUSHFT-HNNXBMFYSA-N 1 2 340.448 3.947 20 0 EHADLO CSc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714945353 1137474400 /nfs/dbraw/zinc/47/44/00/1137474400.db2.gz IHOCNISZFBYYSK-UHFFFAOYSA-N 1 2 329.288 3.917 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253754 1137481404 /nfs/dbraw/zinc/48/14/04/1137481404.db2.gz YYRBUVXFWQNUBS-SJORKVTESA-N 1 2 345.874 3.573 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253754 1137481405 /nfs/dbraw/zinc/48/14/05/1137481405.db2.gz YYRBUVXFWQNUBS-SJORKVTESA-N 1 2 345.874 3.573 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC=CCC3)n2)C1 ZINC000339101178 1137486719 /nfs/dbraw/zinc/48/67/19/1137486719.db2.gz GMXZNUXSNTWHFS-HUUCEWRRSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC=CCC3)n2)C1 ZINC000339101178 1137486720 /nfs/dbraw/zinc/48/67/20/1137486720.db2.gz GMXZNUXSNTWHFS-HUUCEWRRSA-N 1 2 348.516 3.853 20 0 EHADLO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC(F)(F)c1ccccn1)CC2 ZINC001171517950 1137495727 /nfs/dbraw/zinc/49/57/27/1137495727.db2.gz RAODWCJQAJDOBK-LLVKDONJSA-N 1 2 342.311 3.738 20 0 EHADLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001171922420 1137521218 /nfs/dbraw/zinc/52/12/18/1137521218.db2.gz WZIFNLDCZLWUEG-MOKVOYLWSA-N 1 2 335.410 3.814 20 0 EHADLO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001171922420 1137521219 /nfs/dbraw/zinc/52/12/19/1137521219.db2.gz WZIFNLDCZLWUEG-MOKVOYLWSA-N 1 2 335.410 3.814 20 0 EHADLO C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[C@]12C[C@H]1CCCC2 ZINC000923629222 1137532694 /nfs/dbraw/zinc/53/26/94/1137532694.db2.gz ZTZVLLXOUGYWBK-YRNRMSPPSA-N 1 2 342.487 3.636 20 0 EHADLO C[C@H](CC(=O)NCC1(c2cccc(Cl)c2)CCC1)n1cc[nH+]c1 ZINC000871573303 1137546557 /nfs/dbraw/zinc/54/65/57/1137546557.db2.gz SRCAUPAYPKJDMV-CQSZACIVSA-N 1 2 331.847 3.726 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)(C)C)s1)C(=O)Nc1ccc(C)cc1 ZINC000871874178 1137561711 /nfs/dbraw/zinc/56/17/11/1137561711.db2.gz HAYORRQICFYWSP-AWEZNQCLSA-N 1 2 346.500 3.651 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000871937287 1137563405 /nfs/dbraw/zinc/56/34/05/1137563405.db2.gz UDQJZVVPJNFSLK-RYUDHWBXSA-N 1 2 331.370 3.942 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cc(O)ccc1F)c1ccc(F)c(F)c1 ZINC000872053237 1137568266 /nfs/dbraw/zinc/56/82/66/1137568266.db2.gz IAUHFCQJSJDLTC-QGHHPUGFSA-N 1 2 325.330 3.848 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)CCO1 ZINC000872060323 1137568844 /nfs/dbraw/zinc/56/88/44/1137568844.db2.gz PPHKXZSHBJNKIH-FUHWJXTLSA-N 1 2 330.472 3.815 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1nccn1C ZINC000872117603 1137572465 /nfs/dbraw/zinc/57/24/65/1137572465.db2.gz UAGJUYJTFGXWMY-LLVKDONJSA-N 1 2 332.757 3.728 20 0 EHADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000872120603 1137572508 /nfs/dbraw/zinc/57/25/08/1137572508.db2.gz DDIOSFGRJDINMX-NSHDSACASA-N 1 2 328.441 3.915 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269256 1137577044 /nfs/dbraw/zinc/57/70/44/1137577044.db2.gz HZPVYCHKPILXAU-GUYCJALGSA-N 1 2 348.393 3.523 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269256 1137577045 /nfs/dbraw/zinc/57/70/45/1137577045.db2.gz HZPVYCHKPILXAU-GUYCJALGSA-N 1 2 348.393 3.523 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3ccccc3F)CC2)c1 ZINC000872640929 1137582226 /nfs/dbraw/zinc/58/22/26/1137582226.db2.gz TZFFKRSABPBBAA-UHFFFAOYSA-N 1 2 333.432 3.561 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000872804293 1137584687 /nfs/dbraw/zinc/58/46/87/1137584687.db2.gz JMCVYRVROVTEOO-UKRRQHHQSA-N 1 2 346.780 3.845 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000872804293 1137584688 /nfs/dbraw/zinc/58/46/88/1137584688.db2.gz JMCVYRVROVTEOO-UKRRQHHQSA-N 1 2 346.780 3.845 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3cnc4ccc(Cl)cn34)c2C1 ZINC000873174944 1137592454 /nfs/dbraw/zinc/59/24/54/1137592454.db2.gz BOXCCCKPKQTMGB-UHFFFAOYSA-N 1 2 344.846 3.780 20 0 EHADLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(N3CCCC3)o2)CCO1 ZINC001137070018 1137595819 /nfs/dbraw/zinc/59/58/19/1137595819.db2.gz XDRRDLOQUZCLRL-HXUWFJFHSA-N 1 2 344.430 3.767 20 0 EHADLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(N3CCCC3)o2)CCO1 ZINC001137070018 1137595820 /nfs/dbraw/zinc/59/58/20/1137595820.db2.gz XDRRDLOQUZCLRL-HXUWFJFHSA-N 1 2 344.430 3.767 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+](CC(C)C)CC(C)(C)C)n1 ZINC000124545462 1137600735 /nfs/dbraw/zinc/60/07/35/1137600735.db2.gz ZTMGRVGILYJQDS-UHFFFAOYSA-N 1 2 335.521 3.839 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+](CC(C)C)CC(C)(C)C)n1 ZINC000124545462 1137600736 /nfs/dbraw/zinc/60/07/36/1137600736.db2.gz ZTMGRVGILYJQDS-UHFFFAOYSA-N 1 2 335.521 3.839 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000873569791 1137602796 /nfs/dbraw/zinc/60/27/96/1137602796.db2.gz ABUYTLOCWYYQFB-ROUUACIJSA-N 1 2 342.439 3.682 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc(N2CCCC2)c(F)c1)n1cc[nH+]c1 ZINC000874103141 1137610532 /nfs/dbraw/zinc/61/05/32/1137610532.db2.gz BTRKLJWULLJQJC-GOSISDBHSA-N 1 2 344.434 3.848 20 0 EHADLO CC(C)n1cc(C[N@H+](C)Cc2cccc(Br)c2F)cn1 ZINC001137079494 1137613612 /nfs/dbraw/zinc/61/36/12/1137613612.db2.gz NAZMLGBDCOWLJR-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)Cc2cccc(Br)c2F)cn1 ZINC001137079494 1137613613 /nfs/dbraw/zinc/61/36/13/1137613613.db2.gz NAZMLGBDCOWLJR-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CC(C)c1nsc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000874693936 1137621324 /nfs/dbraw/zinc/62/13/24/1137621324.db2.gz WQPNWLHGXZNAND-ZDUSSCGKSA-N 1 2 341.440 3.545 20 0 EHADLO CSCCCCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889372 1137625593 /nfs/dbraw/zinc/62/55/93/1137625593.db2.gz VFGMGZJYTUOXDC-KRWDZBQOSA-N 1 2 338.492 3.612 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000875902516 1137640423 /nfs/dbraw/zinc/64/04/23/1137640423.db2.gz CNYMFRPVKYEWHZ-BBRMVZONSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000875905597 1137640514 /nfs/dbraw/zinc/64/05/14/1137640514.db2.gz ZSWALRDGRHJBIU-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000875905597 1137640515 /nfs/dbraw/zinc/64/05/15/1137640515.db2.gz ZSWALRDGRHJBIU-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO Cc1[nH+]cc(CN(C)Cc2ccc(Cl)nc2)n1-c1ccccc1 ZINC000125737567 1137643438 /nfs/dbraw/zinc/64/34/38/1137643438.db2.gz BKYNGFAUOAFRNV-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)nc2)n1-c1ccccc1 ZINC000125737567 1137643439 /nfs/dbraw/zinc/64/34/39/1137643439.db2.gz BKYNGFAUOAFRNV-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2ccc(Cl)nc2)n1-c1ccccc1 ZINC000125737567 1137643440 /nfs/dbraw/zinc/64/34/40/1137643440.db2.gz BKYNGFAUOAFRNV-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccccc1OC(F)F ZINC000876212033 1137646151 /nfs/dbraw/zinc/64/61/51/1137646151.db2.gz HCDVNTJEZOONLY-OAHLLOKOSA-N 1 2 347.365 3.596 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccccc1OC(F)F ZINC000876212033 1137646152 /nfs/dbraw/zinc/64/61/52/1137646152.db2.gz HCDVNTJEZOONLY-OAHLLOKOSA-N 1 2 347.365 3.596 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H](C)c2ccccc2)[nH+]1 ZINC000125820748 1137646500 /nfs/dbraw/zinc/64/65/00/1137646500.db2.gz PTIGDIIOAAPLBT-QGZVFWFLSA-N 1 2 327.424 3.686 20 0 EHADLO O=c1[nH]ccc2oc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc21 ZINC000876526897 1137654712 /nfs/dbraw/zinc/65/47/12/1137654712.db2.gz JZQNXDYLKWLSCJ-UHFFFAOYSA-N 1 2 343.814 3.509 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)cnc2F)c(OC)c1 ZINC000876550208 1137655230 /nfs/dbraw/zinc/65/52/30/1137655230.db2.gz SMTMVRBPNHBVKQ-QGZVFWFLSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)cnc2F)c(OC)c1 ZINC000876550208 1137655231 /nfs/dbraw/zinc/65/52/31/1137655231.db2.gz SMTMVRBPNHBVKQ-QGZVFWFLSA-N 1 2 346.402 3.584 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000876583229 1137656211 /nfs/dbraw/zinc/65/62/11/1137656211.db2.gz IPXZFLFKKUBVJH-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO CCCn1cc(C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000876592494 1137656550 /nfs/dbraw/zinc/65/65/50/1137656550.db2.gz QIUXFUZQYGUAKT-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO CCCn1cc(C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000876592494 1137656551 /nfs/dbraw/zinc/65/65/51/1137656551.db2.gz QIUXFUZQYGUAKT-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO C[N@@H+](Cc1ccoc1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876632322 1137657825 /nfs/dbraw/zinc/65/78/25/1137657825.db2.gz IWYSRPCBGUXNBY-UHFFFAOYSA-N 1 2 349.431 3.659 20 0 EHADLO C[N@H+](Cc1ccoc1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876632322 1137657826 /nfs/dbraw/zinc/65/78/26/1137657826.db2.gz IWYSRPCBGUXNBY-UHFFFAOYSA-N 1 2 349.431 3.659 20 0 EHADLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000876811418 1137662240 /nfs/dbraw/zinc/66/22/40/1137662240.db2.gz KHWMBEGSTSPIGA-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000876811418 1137662241 /nfs/dbraw/zinc/66/22/41/1137662241.db2.gz KHWMBEGSTSPIGA-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCSCC3)cc2)c1C ZINC000876863454 1137664067 /nfs/dbraw/zinc/66/40/67/1137664067.db2.gz GDEIEOMMDSBHNH-UHFFFAOYSA-N 1 2 343.496 3.872 20 0 EHADLO Clc1csc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000876900914 1137665012 /nfs/dbraw/zinc/66/50/12/1137665012.db2.gz UHDVNXUTCFKFTP-UHFFFAOYSA-N 1 2 345.251 3.901 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccnc2Br)C1 ZINC000877342099 1137674608 /nfs/dbraw/zinc/67/46/08/1137674608.db2.gz ITOIYQSVLOTGHY-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccnc2Br)C1 ZINC000877342099 1137674609 /nfs/dbraw/zinc/67/46/09/1137674609.db2.gz ITOIYQSVLOTGHY-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(CCCOC(C)=O)c2)c1C ZINC000877383344 1137675155 /nfs/dbraw/zinc/67/51/55/1137675155.db2.gz GDOXSFSYXQOOHQ-UHFFFAOYSA-N 1 2 342.439 3.815 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)s1 ZINC001137120929 1137676852 /nfs/dbraw/zinc/67/68/52/1137676852.db2.gz MMZIJFWKSGPCSP-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H]1CSCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000877474888 1137677517 /nfs/dbraw/zinc/67/75/17/1137677517.db2.gz IXXBANMMTXDKKN-SECBINFHSA-N 1 2 335.698 3.682 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000877474888 1137677518 /nfs/dbraw/zinc/67/75/18/1137677518.db2.gz IXXBANMMTXDKKN-SECBINFHSA-N 1 2 335.698 3.682 20 0 EHADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cccc(F)c3OC(F)(F)F)C2)c1 ZINC000877541565 1137680451 /nfs/dbraw/zinc/68/04/51/1137680451.db2.gz GRHBZYDHBILGCM-CYBMUJFWSA-N 1 2 343.324 3.676 20 0 EHADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)(F)F)C2)c1 ZINC000877541565 1137680452 /nfs/dbraw/zinc/68/04/52/1137680452.db2.gz GRHBZYDHBILGCM-CYBMUJFWSA-N 1 2 343.324 3.676 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3ccc(Cl)nn3)CC2)n1 ZINC000877618533 1137683162 /nfs/dbraw/zinc/68/31/62/1137683162.db2.gz XXVLAPJNKAGXKP-UHFFFAOYSA-N 1 2 336.892 3.604 20 0 EHADLO Fc1cc(F)c(F)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001137876398 1137683407 /nfs/dbraw/zinc/68/34/07/1137683407.db2.gz MDJVXDVKVGUCBE-HNNXBMFYSA-N 1 2 348.359 3.799 20 0 EHADLO COC(=O)c1c[nH]c2cc(NCc3[nH+]cc(C)c(OC)c3C)ccc21 ZINC000877651360 1137684471 /nfs/dbraw/zinc/68/44/71/1137684471.db2.gz HDITXLYLIFWMRU-UHFFFAOYSA-N 1 2 339.395 3.587 20 0 EHADLO OCC[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccc(Cl)c(F)c1 ZINC000877664655 1137684827 /nfs/dbraw/zinc/68/48/27/1137684827.db2.gz VKOYNYYJJBZESO-NSHDSACASA-N 1 2 335.231 3.802 20 0 EHADLO CCn1c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)nc2ccccc21 ZINC000877822777 1137691845 /nfs/dbraw/zinc/69/18/45/1137691845.db2.gz ILOREBFATFXZDK-IUODEOHRSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)nc2ccccc21 ZINC000877822777 1137691846 /nfs/dbraw/zinc/69/18/46/1137691846.db2.gz ILOREBFATFXZDK-IUODEOHRSA-N 1 2 341.377 3.598 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000877892567 1137694364 /nfs/dbraw/zinc/69/43/64/1137694364.db2.gz ANVZZVYOCASERT-LBPRGKRZSA-N 1 2 330.432 3.876 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000877892567 1137694365 /nfs/dbraw/zinc/69/43/65/1137694365.db2.gz ANVZZVYOCASERT-LBPRGKRZSA-N 1 2 330.432 3.876 20 0 EHADLO CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878013505 1137699562 /nfs/dbraw/zinc/69/95/62/1137699562.db2.gz JZCORDLQPBITER-QUCCMNQESA-N 1 2 325.456 3.764 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCCC[C@@H]2C2CCC2)c1C ZINC000826030418 1137707673 /nfs/dbraw/zinc/70/76/73/1137707673.db2.gz BORBBHBIACJEEH-QGZVFWFLSA-N 1 2 331.460 3.571 20 0 EHADLO Oc1cccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCC3)o2)c1 ZINC000878230945 1137708004 /nfs/dbraw/zinc/70/80/04/1137708004.db2.gz DEVLLNWRCOCVTK-UHFFFAOYSA-N 1 2 339.370 3.750 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccco1 ZINC000878411885 1137715026 /nfs/dbraw/zinc/71/50/26/1137715026.db2.gz OICKCVAMIPFUHE-SNVBAGLBSA-N 1 2 345.262 3.674 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455461 1137716776 /nfs/dbraw/zinc/71/67/76/1137716776.db2.gz ZLSNLRUYYRHAJL-JQWIXIFHSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455461 1137716777 /nfs/dbraw/zinc/71/67/77/1137716777.db2.gz ZLSNLRUYYRHAJL-JQWIXIFHSA-N 1 2 344.406 3.706 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615342 1137722253 /nfs/dbraw/zinc/72/22/53/1137722253.db2.gz CBWNZBBITLANMQ-HRCADAONSA-N 1 2 349.475 3.653 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615342 1137722254 /nfs/dbraw/zinc/72/22/54/1137722254.db2.gz CBWNZBBITLANMQ-HRCADAONSA-N 1 2 349.475 3.653 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+](Cc3nccn3CC(F)F)C2)cc1F ZINC000879030876 1137735879 /nfs/dbraw/zinc/73/58/79/1137735879.db2.gz PHCZRYYUWJBDGD-ZDUSSCGKSA-N 1 2 341.352 3.806 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+](Cc3nccn3CC(F)F)C2)cc1F ZINC000879030876 1137735880 /nfs/dbraw/zinc/73/58/80/1137735880.db2.gz PHCZRYYUWJBDGD-ZDUSSCGKSA-N 1 2 341.352 3.806 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000879096309 1137737716 /nfs/dbraw/zinc/73/77/16/1137737716.db2.gz QTXNHYIYJASCNI-UHFFFAOYSA-N 1 2 346.468 3.767 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137143832 1137744062 /nfs/dbraw/zinc/74/40/62/1137744062.db2.gz DLANHRFMHPATDZ-ZWKOTPCHSA-N 1 2 326.525 3.549 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001137143832 1137744063 /nfs/dbraw/zinc/74/40/63/1137744063.db2.gz DLANHRFMHPATDZ-ZWKOTPCHSA-N 1 2 326.525 3.549 20 0 EHADLO Clc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Cl)n1 ZINC000879499903 1137749274 /nfs/dbraw/zinc/74/92/74/1137749274.db2.gz GTKMSMHLYZVPRO-CQSZACIVSA-N 1 2 349.265 3.768 20 0 EHADLO Clc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Cl)n1 ZINC000879499903 1137749275 /nfs/dbraw/zinc/74/92/75/1137749275.db2.gz GTKMSMHLYZVPRO-CQSZACIVSA-N 1 2 349.265 3.768 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552267 1137750576 /nfs/dbraw/zinc/75/05/76/1137750576.db2.gz VLLDNZXDRRYHCC-OAHLLOKOSA-N 1 2 349.475 3.637 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690202 1137755365 /nfs/dbraw/zinc/75/53/65/1137755365.db2.gz KSPVPFZKHKSCPO-ZBFHGGJFSA-N 1 2 340.471 3.913 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690202 1137755366 /nfs/dbraw/zinc/75/53/66/1137755366.db2.gz KSPVPFZKHKSCPO-ZBFHGGJFSA-N 1 2 340.471 3.913 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000879730402 1137756719 /nfs/dbraw/zinc/75/67/19/1137756719.db2.gz AQWGNFQZYHPZLM-LBPRGKRZSA-N 1 2 337.370 3.786 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000879730402 1137756720 /nfs/dbraw/zinc/75/67/20/1137756720.db2.gz AQWGNFQZYHPZLM-LBPRGKRZSA-N 1 2 337.370 3.786 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000879746526 1137757544 /nfs/dbraw/zinc/75/75/44/1137757544.db2.gz ACYVGHWVSSGROW-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000879746526 1137757545 /nfs/dbraw/zinc/75/75/45/1137757545.db2.gz ACYVGHWVSSGROW-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC000879842384 1137760499 /nfs/dbraw/zinc/76/04/99/1137760499.db2.gz TVGKGEOYFBQILX-OAHLLOKOSA-N 1 2 327.428 3.919 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)CC(F)F ZINC000879977415 1137763776 /nfs/dbraw/zinc/76/37/76/1137763776.db2.gz VTJCIURRGPFSOI-HDJSIYSDSA-N 1 2 339.430 3.992 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H](C(F)(F)F)O1 ZINC000880057241 1137766696 /nfs/dbraw/zinc/76/66/96/1137766696.db2.gz VZGWMIBJEHLUEZ-LRDDRELGSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H](C(F)(F)F)O1 ZINC000880057241 1137766697 /nfs/dbraw/zinc/76/66/97/1137766697.db2.gz VZGWMIBJEHLUEZ-LRDDRELGSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nsc3ccccc23)CC[C@H](C(F)(F)F)O1 ZINC000880062853 1137766906 /nfs/dbraw/zinc/76/69/06/1137766906.db2.gz CBEZJTMHMRZSMO-QMTHXVAHSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nsc3ccccc23)CC[C@H](C(F)(F)F)O1 ZINC000880062853 1137766907 /nfs/dbraw/zinc/76/69/07/1137766907.db2.gz CBEZJTMHMRZSMO-QMTHXVAHSA-N 1 2 330.375 3.838 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276415 1137772882 /nfs/dbraw/zinc/77/28/82/1137772882.db2.gz HKOCTDYZNJIWOO-CJNGLKHVSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276415 1137772883 /nfs/dbraw/zinc/77/28/83/1137772883.db2.gz HKOCTDYZNJIWOO-CJNGLKHVSA-N 1 2 337.427 3.709 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000880293738 1137773935 /nfs/dbraw/zinc/77/39/35/1137773935.db2.gz CJYJQIAVMHLZDI-MRVPVSSYSA-N 1 2 339.625 3.877 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000880293738 1137773936 /nfs/dbraw/zinc/77/39/36/1137773936.db2.gz CJYJQIAVMHLZDI-MRVPVSSYSA-N 1 2 339.625 3.877 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000880303744 1137774055 /nfs/dbraw/zinc/77/40/55/1137774055.db2.gz RFHUBYKVLQGSMB-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000880303744 1137774056 /nfs/dbraw/zinc/77/40/56/1137774056.db2.gz RFHUBYKVLQGSMB-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)c2cc(C)cc(C)c2)n1 ZINC000128529835 1137782774 /nfs/dbraw/zinc/78/27/74/1137782774.db2.gz WOROXCHNTFWFOQ-HOCLYGCPSA-N 1 2 349.500 3.666 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2cc(C)cc(C)c2)n1 ZINC000128529835 1137782775 /nfs/dbraw/zinc/78/27/75/1137782775.db2.gz WOROXCHNTFWFOQ-HOCLYGCPSA-N 1 2 349.500 3.666 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000880688483 1137784606 /nfs/dbraw/zinc/78/46/06/1137784606.db2.gz ZFZGFXSGACZCAT-UHFFFAOYSA-N 1 2 326.322 3.514 20 0 EHADLO CC[C@H](C(=O)N(CC1CCC1)c1ccccc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137158621 1137785138 /nfs/dbraw/zinc/78/51/38/1137785138.db2.gz ARPPDGSNPFMDST-VQTJNVASSA-N 1 2 344.499 3.709 20 0 EHADLO CC[C@H](C(=O)N(CC1CCC1)c1ccccc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001137158621 1137785139 /nfs/dbraw/zinc/78/51/39/1137785139.db2.gz ARPPDGSNPFMDST-VQTJNVASSA-N 1 2 344.499 3.709 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000880863191 1137792067 /nfs/dbraw/zinc/79/20/67/1137792067.db2.gz YQJWLWTTWJBIOY-UHFFFAOYSA-N 1 2 336.395 3.542 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2(C)C)cc1 ZINC000881660034 1137813225 /nfs/dbraw/zinc/81/32/25/1137813225.db2.gz JVYJYUGPPXTYEH-AEFFLSMTSA-N 1 2 325.456 3.937 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1C ZINC000882175207 1137822753 /nfs/dbraw/zinc/82/27/53/1137822753.db2.gz YEQWLSXIDKPULV-UHFFFAOYSA-N 1 2 335.407 3.643 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882573159 1137829802 /nfs/dbraw/zinc/82/98/02/1137829802.db2.gz TWOMVJLBPDLEOM-CQSZACIVSA-N 1 2 329.297 3.564 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872529 1137836329 /nfs/dbraw/zinc/83/63/29/1137836329.db2.gz HCKOFXHYDQTECB-VQIMIIECSA-N 1 2 341.455 3.526 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873416 1137836367 /nfs/dbraw/zinc/83/63/67/1137836367.db2.gz ZRKUIZSITTYKKL-TZIWHRDSSA-N 1 2 345.446 3.861 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCCC[C@@H](C2CCOCC2)C1)n1cc[nH+]c1 ZINC000882917204 1137838456 /nfs/dbraw/zinc/83/84/56/1137838456.db2.gz GWHYWUHHSBTXQK-MOPGFXCFSA-N 1 2 347.503 3.526 20 0 EHADLO c1ccc(CCn2c3ccccc3[nH+]c2NC[C@H]2CCCOC2)nc1 ZINC000883217979 1137849226 /nfs/dbraw/zinc/84/92/26/1137849226.db2.gz RZKJUTZJQYFDRF-MRXNPFEDSA-N 1 2 336.439 3.513 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1sccc1Cl ZINC000883227417 1137849395 /nfs/dbraw/zinc/84/93/95/1137849395.db2.gz QJQMKSYVUJHLHR-LLVKDONJSA-N 1 2 333.848 3.823 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1)c1ccccc1 ZINC000348225722 1137850227 /nfs/dbraw/zinc/85/02/27/1137850227.db2.gz CENCVPGJMIZREM-DKKFBQAASA-N 1 2 332.488 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1)c1ccccc1 ZINC000348225722 1137850228 /nfs/dbraw/zinc/85/02/28/1137850228.db2.gz CENCVPGJMIZREM-DKKFBQAASA-N 1 2 332.488 3.532 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000883266585 1137851537 /nfs/dbraw/zinc/85/15/37/1137851537.db2.gz DQSXWSLBPNKESD-CQSZACIVSA-N 1 2 325.456 3.956 20 0 EHADLO Brc1cccc2c1CC[C@@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883312817 1137854196 /nfs/dbraw/zinc/85/41/96/1137854196.db2.gz NQEDWLXMJUTQOT-HNNXBMFYSA-N 1 2 344.256 3.895 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC000883701064 1137867659 /nfs/dbraw/zinc/86/76/59/1137867659.db2.gz DLBNCNIHDIFSQC-OAHLLOKOSA-N 1 2 346.862 3.551 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3ncn(C4CC4)c3=S)CCC2)c(F)c1 ZINC000132630015 1137867828 /nfs/dbraw/zinc/86/78/28/1137867828.db2.gz KPEMCEXJQVMZPV-UHFFFAOYSA-N 1 2 336.411 3.654 20 0 EHADLO CCC[C@@H](C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000883812819 1137871695 /nfs/dbraw/zinc/87/16/95/1137871695.db2.gz REAXFLDDMGKPGE-MRXNPFEDSA-N 1 2 346.519 3.935 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000102694318 1137873715 /nfs/dbraw/zinc/87/37/15/1137873715.db2.gz WSDKVBWTIQRDAJ-LBPRGKRZSA-N 1 2 329.469 3.831 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000282844988 1137875315 /nfs/dbraw/zinc/87/53/15/1137875315.db2.gz CXVXQWSIZFFMSE-DYVFJYSZSA-N 1 2 332.469 3.603 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000282844988 1137875316 /nfs/dbraw/zinc/87/53/16/1137875316.db2.gz CXVXQWSIZFFMSE-DYVFJYSZSA-N 1 2 332.469 3.603 20 0 EHADLO COC(=O)c1cc2cccc(NCc3cccc4[nH+]ccn43)c2s1 ZINC001202569644 1137878252 /nfs/dbraw/zinc/87/82/52/1137878252.db2.gz HBLRHOOVTRDCAM-UHFFFAOYSA-N 1 2 337.404 3.948 20 0 EHADLO CSc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000104975283 1137879754 /nfs/dbraw/zinc/87/97/54/1137879754.db2.gz IUBXHFNDWZSABS-UHFFFAOYSA-N 1 2 330.457 3.817 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000105354507 1137880819 /nfs/dbraw/zinc/88/08/19/1137880819.db2.gz WLWNFANEKLCVSQ-UHFFFAOYSA-N 1 2 328.416 3.539 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001202602468 1137882723 /nfs/dbraw/zinc/88/27/23/1137882723.db2.gz CJJPCTGKJIAKGP-UHFFFAOYSA-N 1 2 348.784 3.797 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780710 1137920274 /nfs/dbraw/zinc/92/02/74/1137920274.db2.gz FZKHJLMXTVJCTE-MNOVXSKESA-N 1 2 328.338 3.666 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780710 1137920275 /nfs/dbraw/zinc/92/02/75/1137920275.db2.gz FZKHJLMXTVJCTE-MNOVXSKESA-N 1 2 328.338 3.666 20 0 EHADLO C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331879523 1137924172 /nfs/dbraw/zinc/92/41/72/1137924172.db2.gz CAYYRDKUMSWWAS-HOTGVXAUSA-N 1 2 346.519 3.618 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1cccc(Br)n1 ZINC001205976118 1137925805 /nfs/dbraw/zinc/92/58/05/1137925805.db2.gz CSXASVZPSYNHQO-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1cccc(Br)n1 ZINC001205976118 1137925806 /nfs/dbraw/zinc/92/58/06/1137925806.db2.gz CSXASVZPSYNHQO-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2cnn(C)c2)c2ccccc2)cc1 ZINC000348309624 1137932197 /nfs/dbraw/zinc/93/21/97/1137932197.db2.gz MUGYNKPYHYSZJM-UZLBHIALSA-N 1 2 348.450 3.759 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332349385 1137940950 /nfs/dbraw/zinc/94/09/50/1137940950.db2.gz SJYFCLFAHGSAFY-ONGXEEELSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332349385 1137940951 /nfs/dbraw/zinc/94/09/51/1137940951.db2.gz SJYFCLFAHGSAFY-ONGXEEELSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332349385 1137940952 /nfs/dbraw/zinc/94/09/52/1137940952.db2.gz SJYFCLFAHGSAFY-ONGXEEELSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332349385 1137940953 /nfs/dbraw/zinc/94/09/53/1137940953.db2.gz SJYFCLFAHGSAFY-ONGXEEELSA-N 1 2 325.771 3.508 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(OC)ccc2OCOC)cs1 ZINC000119560102 1137942755 /nfs/dbraw/zinc/94/27/55/1137942755.db2.gz RHNMTXJAGYTUPU-LBPRGKRZSA-N 1 2 336.457 3.548 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC(F)(c3ccccn3)CC2)n1 ZINC000332408221 1137942996 /nfs/dbraw/zinc/94/29/96/1137942996.db2.gz DMDJKHGTIBFVDH-CQSZACIVSA-N 1 2 332.423 3.829 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332414904 1137943218 /nfs/dbraw/zinc/94/32/18/1137943218.db2.gz LTLSGPWUYURMHX-DZGCQCFKSA-N 1 2 328.416 3.529 20 0 EHADLO CC(C)n1cccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000121475662 1137958145 /nfs/dbraw/zinc/95/81/45/1137958145.db2.gz DKWDMTZVQCQZJN-UHFFFAOYSA-N 1 2 338.411 3.597 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000885245336 1137991686 /nfs/dbraw/zinc/99/16/86/1137991686.db2.gz MGWUXFRXICZCFI-MRXNPFEDSA-N 1 2 337.876 3.599 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCc2cccnc21 ZINC000885385585 1137998142 /nfs/dbraw/zinc/99/81/42/1137998142.db2.gz OOTDGUNELDYQGZ-MSOLQXFVSA-N 1 2 346.434 3.521 20 0 EHADLO COc1ccc([C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C2CCC2)cc1 ZINC000885403616 1137999548 /nfs/dbraw/zinc/99/95/48/1137999548.db2.gz VUWQEYIWJFQMAA-IFXJQAMLSA-N 1 2 327.428 3.500 20 0 EHADLO CCn1c(C[NH2+]Cc2ccc(OC)c(OC)c2F)nc2ccccc21 ZINC000885969616 1138029101 /nfs/dbraw/zinc/02/91/01/1138029101.db2.gz YEJQHDLYEHBVBR-UHFFFAOYSA-N 1 2 343.402 3.502 20 0 EHADLO C[C@@H]1CCCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890253068 1138032395 /nfs/dbraw/zinc/03/23/95/1138032395.db2.gz WFICOBUIYKIUNZ-AEFFLSMTSA-N 1 2 326.444 3.599 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c(F)c1OC ZINC000886188358 1138057104 /nfs/dbraw/zinc/05/71/04/1138057104.db2.gz QDIPEIULOQIYEF-QAPCUYQASA-N 1 2 333.378 3.958 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000886267219 1138062965 /nfs/dbraw/zinc/06/29/65/1138062965.db2.gz ISQOYMZEVMBBNY-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO Cc1cccc(C)c1C[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886303896 1138066309 /nfs/dbraw/zinc/06/63/09/1138066309.db2.gz IHSCRSWCOGPZKK-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ncn(C)n1 ZINC000886596562 1138100770 /nfs/dbraw/zinc/10/07/70/1138100770.db2.gz IIHPWSPOCXITPR-YGRLFVJLSA-N 1 2 329.835 3.678 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000072602088 1138106297 /nfs/dbraw/zinc/10/62/97/1138106297.db2.gz SMMQVVZRIKKNQZ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000072602088 1138106298 /nfs/dbraw/zinc/10/62/98/1138106298.db2.gz SMMQVVZRIKKNQZ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000886721646 1138125540 /nfs/dbraw/zinc/12/55/40/1138125540.db2.gz GDDZLHWICJUHSF-UHFFFAOYSA-N 1 2 346.402 3.644 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn3cccc(C)c3n2)c1 ZINC000076895154 1138135491 /nfs/dbraw/zinc/13/54/91/1138135491.db2.gz QJVQNFOQRLSPST-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000886792376 1138141321 /nfs/dbraw/zinc/14/13/21/1138141321.db2.gz XCLRHVFVDRCMCK-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000886792376 1138141324 /nfs/dbraw/zinc/14/13/24/1138141324.db2.gz XCLRHVFVDRCMCK-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccco1 ZINC000080239457 1138161829 /nfs/dbraw/zinc/16/18/29/1138161829.db2.gz WVQZIHLCLZPSPZ-CYBMUJFWSA-N 1 2 328.181 3.659 20 0 EHADLO COC(=O)c1sccc1C[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886900796 1138170988 /nfs/dbraw/zinc/17/09/88/1138170988.db2.gz HZWFJPHTFDMVNT-UHFFFAOYSA-N 1 2 325.380 3.838 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)CC(C)C ZINC000084549287 1138181148 /nfs/dbraw/zinc/18/11/48/1138181148.db2.gz NCJAGQODFVYTJR-UHFFFAOYSA-N 1 2 332.488 3.838 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789214 1138185398 /nfs/dbraw/zinc/18/53/98/1138185398.db2.gz XBYUOWUESPAXQF-INIZCTEOSA-N 1 2 332.444 3.610 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789214 1138185399 /nfs/dbraw/zinc/18/53/99/1138185399.db2.gz XBYUOWUESPAXQF-INIZCTEOSA-N 1 2 332.444 3.610 20 0 EHADLO C[C@@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000089247935 1138196174 /nfs/dbraw/zinc/19/61/74/1138196174.db2.gz UDMKVPFUMJKWSP-GJZGRUSLSA-N 1 2 333.863 3.558 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCCc4ccccc4C3)nc(=O)c2c1C ZINC000089896657 1138207437 /nfs/dbraw/zinc/20/74/37/1138207437.db2.gz UZRYQNBPIAQWPN-UHFFFAOYSA-N 1 2 339.464 3.550 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCCc4ccccc4C3)nc(=O)c2c1C ZINC000089896657 1138207440 /nfs/dbraw/zinc/20/74/40/1138207440.db2.gz UZRYQNBPIAQWPN-UHFFFAOYSA-N 1 2 339.464 3.550 20 0 EHADLO Fc1ccc(Cl)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016262 1138233576 /nfs/dbraw/zinc/23/35/76/1138233576.db2.gz GLEGFELWPZKAOT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1ccc(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016262 1138233578 /nfs/dbraw/zinc/23/35/78/1138233578.db2.gz GLEGFELWPZKAOT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093235561 1138235092 /nfs/dbraw/zinc/23/50/92/1138235092.db2.gz GXZVMRWFBXFIKZ-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093235561 1138235093 /nfs/dbraw/zinc/23/50/93/1138235093.db2.gz GXZVMRWFBXFIKZ-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000124253018 1138282013 /nfs/dbraw/zinc/28/20/13/1138282013.db2.gz PUDQFFYHIKWARA-ZBFHGGJFSA-N 1 2 343.496 3.937 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125372779 1138307376 /nfs/dbraw/zinc/30/73/76/1138307376.db2.gz IYGHXTPMVQUELC-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125372779 1138307377 /nfs/dbraw/zinc/30/73/77/1138307377.db2.gz IYGHXTPMVQUELC-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(F)c(Cl)c1 ZINC000125606808 1138312931 /nfs/dbraw/zinc/31/29/31/1138312931.db2.gz NCZOAJDRBBBKKY-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(F)c(Cl)c1 ZINC000125606808 1138312935 /nfs/dbraw/zinc/31/29/35/1138312935.db2.gz NCZOAJDRBBBKKY-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nccn2Cc2ccccn2)c1C ZINC000127052788 1138345462 /nfs/dbraw/zinc/34/54/62/1138345462.db2.gz CNWNCWMWWACTCL-UHFFFAOYSA-N 1 2 340.452 3.639 20 0 EHADLO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902580 1138345558 /nfs/dbraw/zinc/34/55/58/1138345558.db2.gz TXAGIIKDZLWKCQ-SRABZTEZSA-N 1 2 331.460 3.701 20 0 EHADLO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902580 1138345562 /nfs/dbraw/zinc/34/55/62/1138345562.db2.gz TXAGIIKDZLWKCQ-SRABZTEZSA-N 1 2 331.460 3.701 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127138313 1138348061 /nfs/dbraw/zinc/34/80/61/1138348061.db2.gz FWLFIFVZCBYPDL-BLLLJJGKSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559177 1138362988 /nfs/dbraw/zinc/36/29/88/1138362988.db2.gz PNOLWFCBQPYJSU-HUUCEWRRSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559177 1138362993 /nfs/dbraw/zinc/36/29/93/1138362993.db2.gz PNOLWFCBQPYJSU-HUUCEWRRSA-N 1 2 336.407 3.510 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000127859857 1138373507 /nfs/dbraw/zinc/37/35/07/1138373507.db2.gz MZWZOGKEBCKGPN-OXJNMPFZSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000127859857 1138373511 /nfs/dbraw/zinc/37/35/11/1138373511.db2.gz MZWZOGKEBCKGPN-OXJNMPFZSA-N 1 2 337.467 3.610 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000263868595 1138383577 /nfs/dbraw/zinc/38/35/77/1138383577.db2.gz DERQEPGKDLGKQF-UHFFFAOYSA-N 1 2 349.862 3.541 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000128565759 1138393573 /nfs/dbraw/zinc/39/35/73/1138393573.db2.gz XBLAPHAUDKEBPO-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)c1cccc(Cl)c1 ZINC000263949299 1138396424 /nfs/dbraw/zinc/39/64/24/1138396424.db2.gz NWOMFOVPGHPIRA-NSHDSACASA-N 1 2 339.773 3.561 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000130214649 1138442293 /nfs/dbraw/zinc/44/22/93/1138442293.db2.gz GGSQJDVLKUZHPU-AWEZNQCLSA-N 1 2 334.510 3.648 20 0 EHADLO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000337004515 1138446148 /nfs/dbraw/zinc/44/61/48/1138446148.db2.gz XGEILJDKIJMUNX-SJLPKXTDSA-N 1 2 348.393 3.686 20 0 EHADLO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000337004515 1138446150 /nfs/dbraw/zinc/44/61/50/1138446150.db2.gz XGEILJDKIJMUNX-SJLPKXTDSA-N 1 2 348.393 3.686 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264288793 1138464509 /nfs/dbraw/zinc/46/45/09/1138464509.db2.gz YNJBMQMDEUQBDD-HOTGVXAUSA-N 1 2 333.476 3.588 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccco2)Cc2ccc(C)s2)c(C)n1 ZINC000337133980 1138475329 /nfs/dbraw/zinc/47/53/29/1138475329.db2.gz LKMKRKBTZHOTRS-UHFFFAOYSA-N 1 2 343.452 3.959 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(C)s2)c(C)n1 ZINC000337133980 1138475331 /nfs/dbraw/zinc/47/53/31/1138475331.db2.gz LKMKRKBTZHOTRS-UHFFFAOYSA-N 1 2 343.452 3.959 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2C)o1 ZINC000130924416 1138484445 /nfs/dbraw/zinc/48/44/45/1138484445.db2.gz DDWVNBYENUVJIX-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2C)o1 ZINC000130924416 1138484447 /nfs/dbraw/zinc/48/44/47/1138484447.db2.gz DDWVNBYENUVJIX-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO CSc1ccsc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000337233036 1138502743 /nfs/dbraw/zinc/50/27/43/1138502743.db2.gz KBYOPFHJJRFEKV-UHFFFAOYSA-N 1 2 346.521 3.736 20 0 EHADLO c1snnc1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000131261678 1138505071 /nfs/dbraw/zinc/50/50/71/1138505071.db2.gz VZQMKBQPSBIZNG-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO c1snnc1C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000131261678 1138505073 /nfs/dbraw/zinc/50/50/73/1138505073.db2.gz VZQMKBQPSBIZNG-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)nc1 ZINC000337284687 1138519840 /nfs/dbraw/zinc/51/98/40/1138519840.db2.gz JOURFZAGCAQJLN-AWEZNQCLSA-N 1 2 337.192 3.515 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000337355327 1138542576 /nfs/dbraw/zinc/54/25/76/1138542576.db2.gz DQXXMCBMZDDFOG-NSHDSACASA-N 1 2 342.468 3.995 20 0 EHADLO CC(C)(C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001274109945 1138579663 /nfs/dbraw/zinc/57/96/63/1138579663.db2.gz VVLKOAYSKYAGRV-CALCHBBNSA-N 1 2 343.515 3.511 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337500404 1138588061 /nfs/dbraw/zinc/58/80/61/1138588061.db2.gz LJZMBMTUBSZPLS-GSZIZHMGSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337500404 1138588063 /nfs/dbraw/zinc/58/80/63/1138588063.db2.gz LJZMBMTUBSZPLS-GSZIZHMGSA-N 1 2 345.430 3.952 20 0 EHADLO Cc1cn2cc(NC(=O)N(Cc3cccs3)C3CC3)ccc2[nH+]1 ZINC000264646453 1138590136 /nfs/dbraw/zinc/59/01/36/1138590136.db2.gz NWRANGSMUOLYNW-UHFFFAOYSA-N 1 2 326.425 3.901 20 0 EHADLO CO[C@H]1Cc2ccccc2N(Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000337539822 1138599513 /nfs/dbraw/zinc/59/95/13/1138599513.db2.gz JULVEICNYAKPMC-INIZCTEOSA-N 1 2 325.437 3.512 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264702744 1138610775 /nfs/dbraw/zinc/61/07/75/1138610775.db2.gz AVSLYSQIXKMZFK-MSOLQXFVSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(Nc1cccc(Br)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264702710 1138610783 /nfs/dbraw/zinc/61/07/83/1138610783.db2.gz HGKBNZWUTQDSSL-LLVKDONJSA-N 1 2 349.232 3.584 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1OCCc2ccccc21 ZINC000337645435 1138631677 /nfs/dbraw/zinc/63/16/77/1138631677.db2.gz IFOMDUSRXDARNR-NRFANRHFSA-N 1 2 333.435 3.618 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1OCCc2ccccc21 ZINC000337645435 1138631680 /nfs/dbraw/zinc/63/16/80/1138631680.db2.gz IFOMDUSRXDARNR-NRFANRHFSA-N 1 2 333.435 3.618 20 0 EHADLO O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000337680560 1138642141 /nfs/dbraw/zinc/64/21/41/1138642141.db2.gz HRVMMSJDTSZRTA-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264897843 1138670334 /nfs/dbraw/zinc/67/03/34/1138670334.db2.gz IYRWQXUTNWJXHP-INIZCTEOSA-N 1 2 348.406 3.617 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000264986534 1138695343 /nfs/dbraw/zinc/69/53/43/1138695343.db2.gz MBJWETPRMALTTG-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000264986534 1138695344 /nfs/dbraw/zinc/69/53/44/1138695344.db2.gz MBJWETPRMALTTG-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccc2ccccc2c1)C1CC1 ZINC000337907533 1138695686 /nfs/dbraw/zinc/69/56/86/1138695686.db2.gz DQXMZKBPWYLOTP-UHFFFAOYSA-N 1 2 329.407 3.686 20 0 EHADLO CC1(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000337914125 1138697334 /nfs/dbraw/zinc/69/73/34/1138697334.db2.gz MISCLKWGFILOGW-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(Cc2ccccc2)CCC1 ZINC000135372910 1138746986 /nfs/dbraw/zinc/74/69/86/1138746986.db2.gz KEDNRPARGPXYEV-UHFFFAOYSA-N 1 2 337.467 3.803 20 0 EHADLO CCCOc1c(C[NH2+]Cc2ccc(C(=O)OC)o2)cccc1OCC ZINC000265211584 1138767199 /nfs/dbraw/zinc/76/71/99/1138767199.db2.gz ROCXDQLKHMNXCB-UHFFFAOYSA-N 1 2 347.411 3.544 20 0 EHADLO CCCOc1cc(CNc2ccc(N3CCCC3)c[nH+]2)ccc1OC ZINC000338161853 1138770572 /nfs/dbraw/zinc/77/05/72/1138770572.db2.gz LHRXXOTVCHFDFD-UHFFFAOYSA-N 1 2 341.455 3.513 20 0 EHADLO CSc1ccccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338233108 1138796108 /nfs/dbraw/zinc/79/61/08/1138796108.db2.gz YDXIRSJFBSNTDD-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)c1cccnc1 ZINC000265287224 1138796900 /nfs/dbraw/zinc/79/69/00/1138796900.db2.gz PHXVKJKLJLDZMD-INIZCTEOSA-N 1 2 334.423 3.550 20 0 EHADLO CCCc1occc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338253462 1138802180 /nfs/dbraw/zinc/80/21/80/1138802180.db2.gz CMABLOBMKHVPIW-MRXNPFEDSA-N 1 2 332.831 3.672 20 0 EHADLO Cc1scc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1C ZINC000338256050 1138803186 /nfs/dbraw/zinc/80/31/86/1138803186.db2.gz HVTWHBDAGKUPMW-INIZCTEOSA-N 1 2 334.872 3.805 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000338261578 1138804464 /nfs/dbraw/zinc/80/44/64/1138804464.db2.gz ODYAUNJFDIVDOY-QGZVFWFLSA-N 1 2 346.883 3.849 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cs1 ZINC000338363596 1138858881 /nfs/dbraw/zinc/85/88/81/1138858881.db2.gz XOFPXKNZOWBCJF-LBPRGKRZSA-N 1 2 334.407 3.844 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cs1 ZINC000338363596 1138858890 /nfs/dbraw/zinc/85/88/90/1138858890.db2.gz XOFPXKNZOWBCJF-LBPRGKRZSA-N 1 2 334.407 3.844 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccncc1F ZINC000338369435 1138864357 /nfs/dbraw/zinc/86/43/57/1138864357.db2.gz OUGHZGQHQASUCM-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000348494295 1138947380 /nfs/dbraw/zinc/94/73/80/1138947380.db2.gz NZDFDLTVMVBJDZ-KGLIPLIRSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cccnc3)n2)cc1F ZINC000151105446 1139008964 /nfs/dbraw/zinc/00/89/64/1139008964.db2.gz UGLZOGBEXGCSQA-QWHCGFSZSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151553072 1139042913 /nfs/dbraw/zinc/04/29/13/1139042913.db2.gz WWCUNTQAYZDZQK-SOLBZPMBSA-N 1 2 326.444 3.545 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)NC1CCC=CCC1 ZINC000889539711 1139228012 /nfs/dbraw/zinc/22/80/12/1139228012.db2.gz MBLCZWYZWNMSHR-QAQDUYKDSA-N 1 2 328.460 3.603 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N(C1CC1)C1CCCC1 ZINC000889555669 1139232298 /nfs/dbraw/zinc/23/22/98/1139232298.db2.gz VEDXOWMUNZJTTD-WKILWMFISA-N 1 2 342.487 3.921 20 0 EHADLO CCCN(CC1CC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889565978 1139236341 /nfs/dbraw/zinc/23/63/41/1139236341.db2.gz YPLKYVNXLHHCEX-QAQDUYKDSA-N 1 2 330.476 3.636 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCCC2(CC2)CC1 ZINC000890243344 1139328901 /nfs/dbraw/zinc/32/89/01/1139328901.db2.gz JJWMTZWFHLMUIZ-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccccc2OCc2cccnc2)s1 ZINC000174627382 1139432024 /nfs/dbraw/zinc/43/20/24/1139432024.db2.gz PXOSWLXOOYBOBJ-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C)s1 ZINC000174904330 1139449021 /nfs/dbraw/zinc/44/90/21/1139449021.db2.gz JAZOLQVJBYXKAR-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccnc1Cl)c1ccccc1 ZINC000175156529 1139468382 /nfs/dbraw/zinc/46/83/82/1139468382.db2.gz IZGBTMZXGZJMRL-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccnc1Cl)c1ccccc1 ZINC000175156529 1139468386 /nfs/dbraw/zinc/46/83/86/1139468386.db2.gz IZGBTMZXGZJMRL-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C)C2)C[C@H](C)O1 ZINC000175210739 1139472713 /nfs/dbraw/zinc/47/27/13/1139472713.db2.gz CCDTZESPLNAQTN-HOTGVXAUSA-N 1 2 345.487 3.560 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000175234437 1139474825 /nfs/dbraw/zinc/47/48/25/1139474825.db2.gz KYTZZEIHOFPZOH-RYUDHWBXSA-N 1 2 335.498 3.851 20 0 EHADLO Cc1cnc(C[N@H+](C)CCOc2ccc(Br)cc2)s1 ZINC000357314898 1139537334 /nfs/dbraw/zinc/53/73/34/1139537334.db2.gz ZJYURWPZDBTMIG-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1cnc(C[N@@H+](C)CCOc2ccc(Br)cc2)s1 ZINC000357314898 1139537340 /nfs/dbraw/zinc/53/73/40/1139537340.db2.gz ZJYURWPZDBTMIG-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1ncccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176530507 1139563741 /nfs/dbraw/zinc/56/37/41/1139563741.db2.gz JTHJTHWDJHXVLA-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ncccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176530507 1139563747 /nfs/dbraw/zinc/56/37/47/1139563747.db2.gz JTHJTHWDJHXVLA-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO CC(C)[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000176829584 1139580395 /nfs/dbraw/zinc/58/03/95/1139580395.db2.gz HNXVRGGHKLSUOO-YOEHRIQHSA-N 1 2 333.863 3.729 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(-n3cccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177610291 1139628940 /nfs/dbraw/zinc/62/89/40/1139628940.db2.gz BHZJWIIBPYKJDW-APWZRJJASA-N 1 2 349.438 3.789 20 0 EHADLO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177760651 1139638793 /nfs/dbraw/zinc/63/87/93/1139638793.db2.gz SJUWBRNBGVDUIJ-MRXNPFEDSA-N 1 2 336.439 3.845 20 0 EHADLO CCOCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000177783556 1139640473 /nfs/dbraw/zinc/64/04/73/1139640473.db2.gz PHJCSZKRKFRICJ-UHFFFAOYSA-N 1 2 341.455 3.589 20 0 EHADLO CCSc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000179187511 1139741414 /nfs/dbraw/zinc/74/14/14/1139741414.db2.gz IMNIXSQLXPRZOQ-HNNXBMFYSA-N 1 2 342.468 3.594 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ncc(Br)s1 ZINC000179207726 1139742073 /nfs/dbraw/zinc/74/20/73/1139742073.db2.gz ZNQXMYVPTGPCMV-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C(C)(C)C)c1 ZINC000179610412 1139768418 /nfs/dbraw/zinc/76/84/18/1139768418.db2.gz DYJLGSZFDPFYOK-UHFFFAOYSA-N 1 2 342.487 3.797 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C(C)(C)C)c1 ZINC000179610412 1139768423 /nfs/dbraw/zinc/76/84/23/1139768423.db2.gz DYJLGSZFDPFYOK-UHFFFAOYSA-N 1 2 342.487 3.797 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000179668222 1139773721 /nfs/dbraw/zinc/77/37/21/1139773721.db2.gz XAMCJXDBJJVCMV-NSHDSACASA-N 1 2 349.228 3.766 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000179668222 1139773725 /nfs/dbraw/zinc/77/37/25/1139773725.db2.gz XAMCJXDBJJVCMV-NSHDSACASA-N 1 2 349.228 3.766 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCO1 ZINC000179859857 1139788558 /nfs/dbraw/zinc/78/85/58/1139788558.db2.gz YACJIATXQAXDEN-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCO1 ZINC000179859857 1139788562 /nfs/dbraw/zinc/78/85/62/1139788562.db2.gz YACJIATXQAXDEN-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO CC[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000180420591 1139833115 /nfs/dbraw/zinc/83/31/15/1139833115.db2.gz QDGRLXDCWGWEMB-GOSISDBHSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1cc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000180428834 1139834650 /nfs/dbraw/zinc/83/46/50/1139834650.db2.gz LQYFZHFEJDMPPS-IHPCNDPISA-N 1 2 342.483 3.591 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514121 1139839933 /nfs/dbraw/zinc/83/99/33/1139839933.db2.gz UXEUOVSBRTVLRM-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514121 1139839945 /nfs/dbraw/zinc/83/99/45/1139839945.db2.gz UXEUOVSBRTVLRM-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccnc1 ZINC000181373315 1139902925 /nfs/dbraw/zinc/90/29/25/1139902925.db2.gz DITKNGIBPHWJAQ-LBPRGKRZSA-N 1 2 340.452 3.923 20 0 EHADLO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3cccnc3)nc(N)c2c1C ZINC000181668212 1139923332 /nfs/dbraw/zinc/92/33/32/1139923332.db2.gz QERUEUOGXGQULK-QWRGUYRKSA-N 1 2 327.457 3.697 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(N2CCCC2)c1 ZINC000181868659 1139937616 /nfs/dbraw/zinc/93/76/16/1139937616.db2.gz RDEJHWHZHMDODO-CQSZACIVSA-N 1 2 338.411 3.781 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000182490153 1139975935 /nfs/dbraw/zinc/97/59/35/1139975935.db2.gz GEPBJDZBYPDCTP-CQSZACIVSA-N 1 2 347.484 3.687 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182606013 1139982137 /nfs/dbraw/zinc/98/21/37/1139982137.db2.gz UFZFRAPLKXTPPA-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182606013 1139982138 /nfs/dbraw/zinc/98/21/38/1139982138.db2.gz UFZFRAPLKXTPPA-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](CC)c2nccn2C)c1OC(F)F ZINC000183107078 1140013838 /nfs/dbraw/zinc/01/38/38/1140013838.db2.gz WEPDMNHMPUQUEO-ZDUSSCGKSA-N 1 2 339.386 3.661 20 0 EHADLO C[NH+](C)[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000183293269 1140027911 /nfs/dbraw/zinc/02/79/11/1140027911.db2.gz NUCPJZGLZWKLPL-QUCCMNQESA-N 1 2 339.414 3.796 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cnn1C ZINC000183429807 1140037569 /nfs/dbraw/zinc/03/75/69/1140037569.db2.gz XXZMFBGQDZHNKN-NEPJUHHUSA-N 1 2 343.406 3.638 20 0 EHADLO CC[C@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCO1 ZINC000183593908 1140048638 /nfs/dbraw/zinc/04/86/38/1140048638.db2.gz ZEJQACWHMVTZJD-OCCSQVGLSA-N 1 2 333.819 3.669 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000183920197 1140065343 /nfs/dbraw/zinc/06/53/43/1140065343.db2.gz NSRFKTSZQZCTCZ-GFCCVEGCSA-N 1 2 345.468 3.506 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)s1 ZINC000183971235 1140070936 /nfs/dbraw/zinc/07/09/36/1140070936.db2.gz SLGVQVJRFQFRHG-SNVBAGLBSA-N 1 2 339.411 3.582 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184145348 1140083031 /nfs/dbraw/zinc/08/30/31/1140083031.db2.gz NITGAXAAQUJPFW-SJLPKXTDSA-N 1 2 344.455 3.919 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184170722 1140085295 /nfs/dbraw/zinc/08/52/95/1140085295.db2.gz LSIVNJYOEMQHDF-SFHVURJKSA-N 1 2 330.428 3.742 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000184549842 1140108405 /nfs/dbraw/zinc/10/84/05/1140108405.db2.gz XIYHWWDZVYTBMF-MFKMUULPSA-N 1 2 339.773 3.538 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184581206 1140110023 /nfs/dbraw/zinc/11/00/23/1140110023.db2.gz NGXRXKZMHOWUHJ-CABCVRRESA-N 1 2 330.863 3.570 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1)c1ccccc1 ZINC000184597265 1140111064 /nfs/dbraw/zinc/11/10/64/1140111064.db2.gz WKDJEVUZCLEVKL-NJAFHUGGSA-N 1 2 344.455 3.603 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2nc3ccccc3s2)cs1 ZINC000184700214 1140116507 /nfs/dbraw/zinc/11/65/07/1140116507.db2.gz PYPCYUDVJCKHPP-SNVBAGLBSA-N 1 2 346.481 3.605 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)o1 ZINC000184790755 1140120696 /nfs/dbraw/zinc/12/06/96/1140120696.db2.gz YDGLPLKJJDYPGI-CXAGYDPISA-N 1 2 348.418 3.594 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)o1 ZINC000184839564 1140122266 /nfs/dbraw/zinc/12/22/66/1140122266.db2.gz PIHJGBHIPCNGKA-DOTOQJQBSA-N 1 2 344.455 3.763 20 0 EHADLO CC(C)N(C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000184892916 1140124765 /nfs/dbraw/zinc/12/47/65/1140124765.db2.gz VZIUHFZALVWARK-OAHLLOKOSA-N 1 2 329.444 3.638 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984164 1140129141 /nfs/dbraw/zinc/12/91/41/1140129141.db2.gz KMOSODGVZYYXSG-LLVKDONJSA-N 1 2 332.354 3.546 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984164 1140129142 /nfs/dbraw/zinc/12/91/42/1140129142.db2.gz KMOSODGVZYYXSG-LLVKDONJSA-N 1 2 332.354 3.546 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(F)cc1Cl ZINC000185053932 1140133970 /nfs/dbraw/zinc/13/39/70/1140133970.db2.gz NZXSXCCFXLPESF-JTQLQIEISA-N 1 2 334.782 3.718 20 0 EHADLO CC(C)(C)OCc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)no1 ZINC000185134314 1140137291 /nfs/dbraw/zinc/13/72/91/1140137291.db2.gz PSMARIQGAQBUQZ-UHFFFAOYSA-N 1 2 340.383 3.632 20 0 EHADLO Clc1ccc(-c2nnc(SCCCn3cc[nH+]c3)o2)s1 ZINC000185557085 1140155519 /nfs/dbraw/zinc/15/55/19/1140155519.db2.gz NDWBRMMYGAOYFR-UHFFFAOYSA-N 1 2 326.834 3.830 20 0 EHADLO CCSc1cccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000186212909 1140192066 /nfs/dbraw/zinc/19/20/66/1140192066.db2.gz FFSDCUWQLOJGDP-UHFFFAOYSA-N 1 2 345.512 3.721 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc21 ZINC000186424241 1140203381 /nfs/dbraw/zinc/20/33/81/1140203381.db2.gz ZPVSRJGBMROVHN-GOSISDBHSA-N 1 2 348.450 3.896 20 0 EHADLO CCOCc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187727109 1140268713 /nfs/dbraw/zinc/26/87/13/1140268713.db2.gz KKIVZRWCUFGHBR-LJQANCHMSA-N 1 2 339.414 3.965 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1C=CCCC1 ZINC000188337380 1140292612 /nfs/dbraw/zinc/29/26/12/1140292612.db2.gz PGPJCJHSFJVQDQ-SFHVURJKSA-N 1 2 341.499 3.893 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000189166753 1140325701 /nfs/dbraw/zinc/32/57/01/1140325701.db2.gz FUMKULUJOXFYDU-WMLDXEAASA-N 1 2 329.444 3.508 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000189806321 1140364599 /nfs/dbraw/zinc/36/45/99/1140364599.db2.gz GSLGKWACNRVSOX-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000189806321 1140364605 /nfs/dbraw/zinc/36/46/05/1140364605.db2.gz GSLGKWACNRVSOX-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(O)ccc23)cs1 ZINC000189820471 1140366724 /nfs/dbraw/zinc/36/67/24/1140366724.db2.gz AJKFUDXTBTVTQG-MRXNPFEDSA-N 1 2 342.420 3.601 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(O)ccc23)cs1 ZINC000189820471 1140366727 /nfs/dbraw/zinc/36/67/27/1140366727.db2.gz AJKFUDXTBTVTQG-MRXNPFEDSA-N 1 2 342.420 3.601 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189927832 1140372143 /nfs/dbraw/zinc/37/21/43/1140372143.db2.gz DEJFAYFSCWDWLV-QGZVFWFLSA-N 1 2 348.468 3.780 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189927832 1140372152 /nfs/dbraw/zinc/37/21/52/1140372152.db2.gz DEJFAYFSCWDWLV-QGZVFWFLSA-N 1 2 348.468 3.780 20 0 EHADLO CCCC[N@H+](Cc1nnnn1CC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000190842587 1140420438 /nfs/dbraw/zinc/42/04/38/1140420438.db2.gz GZYOSGYCTRAINM-ZDUSSCGKSA-N 1 2 341.381 3.599 20 0 EHADLO CCCC[N@@H+](Cc1nnnn1CC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000190842587 1140420445 /nfs/dbraw/zinc/42/04/45/1140420445.db2.gz GZYOSGYCTRAINM-ZDUSSCGKSA-N 1 2 341.381 3.599 20 0 EHADLO COc1cc(C[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)ccc1O ZINC000191509788 1140468108 /nfs/dbraw/zinc/46/81/08/1140468108.db2.gz CGJISGKZLTYVQF-UHFFFAOYSA-N 1 2 349.434 3.956 20 0 EHADLO COc1cc(C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)ccc1O ZINC000191509788 1140468112 /nfs/dbraw/zinc/46/81/12/1140468112.db2.gz CGJISGKZLTYVQF-UHFFFAOYSA-N 1 2 349.434 3.956 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)cn1 ZINC000191678909 1140478417 /nfs/dbraw/zinc/47/84/17/1140478417.db2.gz GMGSWJJBAQRRFQ-UHFFFAOYSA-N 1 2 333.432 3.598 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193496540 1140578555 /nfs/dbraw/zinc/57/85/55/1140578555.db2.gz KXCMXWXVURYWQF-UHFFFAOYSA-N 1 2 344.434 3.732 20 0 EHADLO c1cc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cs1 ZINC000193713967 1140584358 /nfs/dbraw/zinc/58/43/58/1140584358.db2.gz JVUROJLERZHRBO-HNNXBMFYSA-N 1 2 343.477 3.936 20 0 EHADLO CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000267221561 1140769734 /nfs/dbraw/zinc/76/97/34/1140769734.db2.gz HMECKRWYPROBFT-MSOLQXFVSA-N 1 2 343.496 3.726 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000350701981 1140772436 /nfs/dbraw/zinc/77/24/36/1140772436.db2.gz RKRGEZYORTXQEJ-UHFFFAOYSA-N 1 2 338.455 3.980 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000350701981 1140772442 /nfs/dbraw/zinc/77/24/42/1140772442.db2.gz RKRGEZYORTXQEJ-UHFFFAOYSA-N 1 2 338.455 3.980 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267473749 1140795189 /nfs/dbraw/zinc/79/51/89/1140795189.db2.gz PIXDVLPKHSDZFE-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267585564 1140806744 /nfs/dbraw/zinc/80/67/44/1140806744.db2.gz OCOPOMQAWBWBCQ-LAUBAEHRSA-N 1 2 345.446 3.950 20 0 EHADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000267724586 1140826042 /nfs/dbraw/zinc/82/60/42/1140826042.db2.gz MEFRDTCGPDDDMR-OLMMMNRUSA-N 1 2 345.487 3.606 20 0 EHADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000267724586 1140826048 /nfs/dbraw/zinc/82/60/48/1140826048.db2.gz MEFRDTCGPDDDMR-OLMMMNRUSA-N 1 2 345.487 3.606 20 0 EHADLO CC(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)=C1CCCC1 ZINC000267844440 1140842057 /nfs/dbraw/zinc/84/20/57/1140842057.db2.gz JLTBBGQAJLBMNM-MRXNPFEDSA-N 1 2 328.456 3.909 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000267948939 1140853622 /nfs/dbraw/zinc/85/36/22/1140853622.db2.gz IQICMCJKJIVVRH-XOAFGZPJSA-N 1 2 328.456 3.512 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000268248236 1140909298 /nfs/dbraw/zinc/90/92/98/1140909298.db2.gz TWRVDJZYSAEYEH-QGZVFWFLSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000268248236 1140909303 /nfs/dbraw/zinc/90/93/03/1140909303.db2.gz TWRVDJZYSAEYEH-QGZVFWFLSA-N 1 2 327.465 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000268355137 1140925652 /nfs/dbraw/zinc/92/56/52/1140925652.db2.gz FNVIRNNGNZXUOC-WMZOPIPTSA-N 1 2 325.456 3.562 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000268961626 1141034964 /nfs/dbraw/zinc/03/49/64/1141034964.db2.gz ITJYOBIDDJOFHJ-HYVNUMGLSA-N 1 2 329.444 3.791 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000268961626 1141034973 /nfs/dbraw/zinc/03/49/73/1141034973.db2.gz ITJYOBIDDJOFHJ-HYVNUMGLSA-N 1 2 329.444 3.791 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968623 1141037340 /nfs/dbraw/zinc/03/73/40/1141037340.db2.gz LCHJEPIOFOTMRE-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968623 1141037348 /nfs/dbraw/zinc/03/73/48/1141037348.db2.gz LCHJEPIOFOTMRE-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269099390 1141065222 /nfs/dbraw/zinc/06/52/22/1141065222.db2.gz FRQHXYBRTVQEFC-VIFPVBQESA-N 1 2 328.750 3.684 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000269418794 1141106648 /nfs/dbraw/zinc/10/66/48/1141106648.db2.gz JVWZFIXNLIQQEY-UHFFFAOYSA-N 1 2 349.887 3.710 20 0 EHADLO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cccc1-c1ccccn1 ZINC000270073977 1141176136 /nfs/dbraw/zinc/17/61/36/1141176136.db2.gz UYHJDCKRGUULIP-UHFFFAOYSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000270315759 1141205748 /nfs/dbraw/zinc/20/57/48/1141205748.db2.gz JOWRHHNWRWBIIO-OAHLLOKOSA-N 1 2 339.443 3.516 20 0 EHADLO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000270315759 1141205754 /nfs/dbraw/zinc/20/57/54/1141205754.db2.gz JOWRHHNWRWBIIO-OAHLLOKOSA-N 1 2 339.443 3.516 20 0 EHADLO CCc1nc2sccc2c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000270326891 1141206982 /nfs/dbraw/zinc/20/69/82/1141206982.db2.gz WLNQXGSEIWJVIG-JSGCOSHPSA-N 1 2 327.457 3.538 20 0 EHADLO O[C@H](c1ccccc1)C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000270348311 1141210708 /nfs/dbraw/zinc/21/07/08/1141210708.db2.gz TWJPVWAKVTYFLW-GOSISDBHSA-N 1 2 328.481 3.966 20 0 EHADLO COc1cc([C@@H](C)Nc2[nH+]c3ccccc3n2C)cc(OC)c1OC ZINC000270613686 1141245644 /nfs/dbraw/zinc/24/56/44/1141245644.db2.gz YYFZFRGHLWVLHN-GFCCVEGCSA-N 1 2 341.411 3.772 20 0 EHADLO COc1cc(C[N@H+](Cc2ccn(C3CCCC3)n2)C2CC2)ccc1O ZINC000270634631 1141248413 /nfs/dbraw/zinc/24/84/13/1141248413.db2.gz OSTWICJRTPSEDY-UHFFFAOYSA-N 1 2 341.455 3.877 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccn(C3CCCC3)n2)C2CC2)ccc1O ZINC000270634631 1141248418 /nfs/dbraw/zinc/24/84/18/1141248418.db2.gz OSTWICJRTPSEDY-UHFFFAOYSA-N 1 2 341.455 3.877 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+](C)Cc1cnccn1 ZINC000271198872 1141322971 /nfs/dbraw/zinc/32/29/71/1141322971.db2.gz PTAPKZDLIGFJSC-UHFFFAOYSA-N 1 2 338.274 3.593 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+](C)Cc1cnccn1 ZINC000271198872 1141322977 /nfs/dbraw/zinc/32/29/77/1141322977.db2.gz PTAPKZDLIGFJSC-UHFFFAOYSA-N 1 2 338.274 3.593 20 0 EHADLO Cc1nsc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000271327981 1141346790 /nfs/dbraw/zinc/34/67/90/1141346790.db2.gz PWJFIIDRZQAPEE-UHFFFAOYSA-N 1 2 331.470 3.679 20 0 EHADLO Cc1nsc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000271327981 1141346797 /nfs/dbraw/zinc/34/67/97/1141346797.db2.gz PWJFIIDRZQAPEE-UHFFFAOYSA-N 1 2 331.470 3.679 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ncc(Br)s1 ZINC000271565050 1141398284 /nfs/dbraw/zinc/39/82/84/1141398284.db2.gz YJFXTDKREOYNSG-SNVBAGLBSA-N 1 2 340.290 3.822 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)cc1OC ZINC000271664585 1141415615 /nfs/dbraw/zinc/41/56/15/1141415615.db2.gz LXGIAGFABLPTGI-GFCCVEGCSA-N 1 2 335.473 3.885 20 0 EHADLO C[C@H](c1nc([C@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099658 1141474387 /nfs/dbraw/zinc/47/43/87/1141474387.db2.gz SSBMPJNJWKGAOZ-GRDNDAEWSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@H](c1nc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099658 1141474391 /nfs/dbraw/zinc/47/43/91/1141474391.db2.gz SSBMPJNJWKGAOZ-GRDNDAEWSA-N 1 2 327.428 3.545 20 0 EHADLO Cc1cn2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)ccc2[nH+]1 ZINC000339129712 1141505113 /nfs/dbraw/zinc/50/51/13/1141505113.db2.gz MPHDTHRSFCXJOV-UHFFFAOYSA-N 1 2 346.390 3.869 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000339193273 1141523594 /nfs/dbraw/zinc/52/35/94/1141523594.db2.gz FBCNAELTBZMPPJ-UHFFFAOYSA-N 1 2 326.440 3.868 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000339193273 1141523600 /nfs/dbraw/zinc/52/36/00/1141523600.db2.gz FBCNAELTBZMPPJ-UHFFFAOYSA-N 1 2 326.440 3.868 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnc4onc(C(C)C)c4c3)ccc2[nH+]1 ZINC000339263377 1141543171 /nfs/dbraw/zinc/54/31/71/1141543171.db2.gz KPOCSQBMEGAODC-UHFFFAOYSA-N 1 2 335.367 3.555 20 0 EHADLO CCC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccn1 ZINC000339263302 1141543220 /nfs/dbraw/zinc/54/32/20/1141543220.db2.gz GRBBIGVLPACDBC-HNNXBMFYSA-N 1 2 338.386 3.929 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000348573067 1141553102 /nfs/dbraw/zinc/55/31/02/1141553102.db2.gz VGPIECPLFVHMDK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000348573067 1141553103 /nfs/dbraw/zinc/55/31/03/1141553103.db2.gz VGPIECPLFVHMDK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC3(C)CC3)c2C1 ZINC000348635152 1141559171 /nfs/dbraw/zinc/55/91/71/1141559171.db2.gz MOIMLCZSGGCTGS-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC3(C)CC3)c2C1 ZINC000348635152 1141559175 /nfs/dbraw/zinc/55/91/75/1141559175.db2.gz MOIMLCZSGGCTGS-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1OC ZINC000348718944 1141570094 /nfs/dbraw/zinc/57/00/94/1141570094.db2.gz YQQQWXPSTIZLIB-QGZVFWFLSA-N 1 2 329.444 3.934 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1OC ZINC000348718944 1141570097 /nfs/dbraw/zinc/57/00/97/1141570097.db2.gz YQQQWXPSTIZLIB-QGZVFWFLSA-N 1 2 329.444 3.934 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc3ccccc3n2)c(OC)c1 ZINC000348811207 1141584853 /nfs/dbraw/zinc/58/48/53/1141584853.db2.gz NGQXOBIGKANAAU-UHFFFAOYSA-N 1 2 338.407 3.550 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1c(F)cccc1N1CCCC1)C2 ZINC000348868832 1141600350 /nfs/dbraw/zinc/60/03/50/1141600350.db2.gz LFQPJXBNRJAZFN-UHFFFAOYSA-N 1 2 342.414 3.526 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1c(F)cccc1N1CCCC1)C2 ZINC000348868832 1141600353 /nfs/dbraw/zinc/60/03/53/1141600353.db2.gz LFQPJXBNRJAZFN-UHFFFAOYSA-N 1 2 342.414 3.526 20 0 EHADLO CC[N@H+](Cc1ccncc1)Cc1ccc(OC)cc1Br ZINC000348901944 1141606015 /nfs/dbraw/zinc/60/60/15/1141606015.db2.gz AXNOKSWQLLZHLA-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccncc1)Cc1ccc(OC)cc1Br ZINC000348901944 1141606016 /nfs/dbraw/zinc/60/60/16/1141606016.db2.gz AXNOKSWQLLZHLA-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CCCCCOc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1OC ZINC000349012588 1141622531 /nfs/dbraw/zinc/62/25/31/1141622531.db2.gz STIAYJKHCKDPKS-IBGZPJMESA-N 1 2 339.451 3.561 20 0 EHADLO CCCCCOc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1OC ZINC000349012588 1141622536 /nfs/dbraw/zinc/62/25/36/1141622536.db2.gz STIAYJKHCKDPKS-IBGZPJMESA-N 1 2 339.451 3.561 20 0 EHADLO O=C(c1csc2ccccc12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397412 202130682 /nfs/dbraw/zinc/13/06/82/202130682.db2.gz ODMVDNJTOMFQJL-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028684285 202175827 /nfs/dbraw/zinc/17/58/27/202175827.db2.gz WSRGUOKKPSLNCQ-OAHLLOKOSA-N 1 2 343.496 3.865 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028684285 202175829 /nfs/dbraw/zinc/17/58/29/202175829.db2.gz WSRGUOKKPSLNCQ-OAHLLOKOSA-N 1 2 343.496 3.865 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000071953602 203153780 /nfs/dbraw/zinc/15/37/80/203153780.db2.gz BHLNRSBRTMBCIY-LBPRGKRZSA-N 1 2 329.271 3.826 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000071953602 203153782 /nfs/dbraw/zinc/15/37/82/203153782.db2.gz BHLNRSBRTMBCIY-LBPRGKRZSA-N 1 2 329.271 3.826 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1F ZINC000127000719 205080440 /nfs/dbraw/zinc/08/04/40/205080440.db2.gz IGKFOSNDAJPCRB-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO Cc1ccc2oc(C(=O)NCCNc3ccc4ccccc4[nH+]3)cc2n1 ZINC000608368915 479995213 /nfs/dbraw/zinc/99/52/13/479995213.db2.gz PZZFVGCUPROPAJ-UHFFFAOYSA-N 1 2 346.390 3.526 20 0 EHADLO CCCc1nc(C)c(CNc2nc(N(C)C)c3ccccc3[nH+]2)o1 ZINC000519624271 478242189 /nfs/dbraw/zinc/24/21/89/478242189.db2.gz PJWDPBWDSOQTMA-UHFFFAOYSA-N 1 2 325.416 3.557 20 0 EHADLO CC[C@@H](C)Oc1nccnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000527844147 478545137 /nfs/dbraw/zinc/54/51/37/478545137.db2.gz XIQIMAQRSYVXHW-OAHLLOKOSA-N 1 2 337.427 3.511 20 0 EHADLO CC[C@@H](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000617640364 480307587 /nfs/dbraw/zinc/30/75/87/480307587.db2.gz ZHXKZIRUUXOXFU-CQSZACIVSA-N 1 2 326.444 3.563 20 0 EHADLO COc1cccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c1OC ZINC000275523109 564009107 /nfs/dbraw/zinc/00/91/07/564009107.db2.gz LFCOJJGNWMKNLI-QGZVFWFLSA-N 1 2 341.455 3.643 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1OC ZINC000275523109 564009108 /nfs/dbraw/zinc/00/91/08/564009108.db2.gz LFCOJJGNWMKNLI-QGZVFWFLSA-N 1 2 341.455 3.643 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1OC ZINC000275523109 564009109 /nfs/dbraw/zinc/00/91/09/564009109.db2.gz LFCOJJGNWMKNLI-QGZVFWFLSA-N 1 2 341.455 3.643 20 0 EHADLO CCc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1F ZINC000575603399 564082316 /nfs/dbraw/zinc/08/23/16/564082316.db2.gz GBOXAABLNJCXJO-HNNXBMFYSA-N 1 2 330.407 3.737 20 0 EHADLO Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822741046 606099096 /nfs/dbraw/zinc/09/90/96/606099096.db2.gz QOBPTFIHLHPKGU-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822741046 606099100 /nfs/dbraw/zinc/09/91/00/606099100.db2.gz QOBPTFIHLHPKGU-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1-c1nn[nH]n1 ZINC000822766958 606979317 /nfs/dbraw/zinc/97/93/17/606979317.db2.gz QOWXMJSELQXSPE-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1-c1nn[nH]n1 ZINC000822766958 606979319 /nfs/dbraw/zinc/97/93/19/606979319.db2.gz QOWXMJSELQXSPE-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655512 609162289 /nfs/dbraw/zinc/16/22/89/609162289.db2.gz CYVVQWKQYKXQHO-CQSZACIVSA-N 1 2 334.427 3.640 20 0 EHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC45CCCC5)c3C2)cc1 ZINC001164400329 718844787 /nfs/dbraw/zinc/84/47/87/718844787.db2.gz WPESSWJZROLDFH-UHFFFAOYSA-N 1 2 334.467 3.558 20 0 EHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC45CCCC5)c3C2)cc1 ZINC001164400329 718844790 /nfs/dbraw/zinc/84/47/90/718844790.db2.gz WPESSWJZROLDFH-UHFFFAOYSA-N 1 2 334.467 3.558 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000484895444 1032066089 /nfs/dbraw/zinc/06/60/89/1032066089.db2.gz SWIJZKDONDDDDM-UHFFFAOYSA-N 1 2 346.471 3.509 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc(-c2cccs2)ns1)c1ccccc1 ZINC000182135579 1032069997 /nfs/dbraw/zinc/06/99/97/1032069997.db2.gz SOZKGXVBFWPIQN-ZDUSSCGKSA-N 1 2 344.465 3.508 20 0 EHADLO Cc1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccccc1 ZINC000153339170 1125472425 /nfs/dbraw/zinc/47/24/25/1125472425.db2.gz ATPFZFZBWXEBAN-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)sc1Cl)CC2 ZINC000449033823 1032073297 /nfs/dbraw/zinc/07/32/97/1032073297.db2.gz GJYGLFJRNNBHHJ-SNVBAGLBSA-N 1 2 334.268 3.830 20 0 EHADLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138333 1021001130 /nfs/dbraw/zinc/00/11/30/1021001130.db2.gz OJGGPNYUBKYYGQ-TVQRCGJNSA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138333 1021001135 /nfs/dbraw/zinc/00/11/35/1021001135.db2.gz OJGGPNYUBKYYGQ-TVQRCGJNSA-N 1 2 333.295 3.541 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc(C)[nH+]1 ZINC000579698358 1014221359 /nfs/dbraw/zinc/22/13/59/1014221359.db2.gz YKMAXPKQUSFPSE-OAHLLOKOSA-N 1 2 337.345 3.801 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)cc1F ZINC000090232756 1014228136 /nfs/dbraw/zinc/22/81/36/1014228136.db2.gz DVJDMECHGFSJND-ZDUSSCGKSA-N 1 2 342.443 3.979 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)n2)c1 ZINC000182303917 1032086383 /nfs/dbraw/zinc/08/63/83/1032086383.db2.gz URDNFAOGEJZLHK-ZDUSSCGKSA-N 1 2 337.379 3.625 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339379343 1014298676 /nfs/dbraw/zinc/29/86/76/1014298676.db2.gz SWIZQIJKZYHDMI-JSGCOSHPSA-N 1 2 347.459 3.716 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339379343 1014298683 /nfs/dbraw/zinc/29/86/83/1014298683.db2.gz SWIZQIJKZYHDMI-JSGCOSHPSA-N 1 2 347.459 3.716 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1nc(C(F)(F)F)cs1 ZINC000274609891 1014323820 /nfs/dbraw/zinc/32/38/20/1014323820.db2.gz NCOGJZBTSXWBTD-QMMMGPOBSA-N 1 2 330.331 3.741 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459419724 1032092065 /nfs/dbraw/zinc/09/20/65/1032092065.db2.gz WXNUNIQPUOFLSM-UHFFFAOYSA-N 1 2 346.500 3.734 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C(F)(F)F)o1 ZINC000274682640 1014530585 /nfs/dbraw/zinc/53/05/85/1014530585.db2.gz RSAIKGQUEZBYKL-MFKMUULPSA-N 1 2 341.333 3.527 20 0 EHADLO C[C@H]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000904498344 1032094545 /nfs/dbraw/zinc/09/45/45/1032094545.db2.gz ZJBXBWUPPVTGLZ-JCNLHEQBSA-N 1 2 341.455 3.863 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000339533850 1014734980 /nfs/dbraw/zinc/73/49/80/1014734980.db2.gz DIVPGIGSCZNKBT-HNNXBMFYSA-N 1 2 343.477 3.578 20 0 EHADLO NC(=O)C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000339533852 1014735253 /nfs/dbraw/zinc/73/52/53/1014735253.db2.gz DIVPGIGSCZNKBT-OAHLLOKOSA-N 1 2 343.477 3.578 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000654994711 1014756642 /nfs/dbraw/zinc/75/66/42/1014756642.db2.gz TXCGGHQHWQCINX-JTQLQIEISA-N 1 2 337.370 3.683 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000654994711 1014756661 /nfs/dbraw/zinc/75/66/61/1014756661.db2.gz TXCGGHQHWQCINX-JTQLQIEISA-N 1 2 337.370 3.683 20 0 EHADLO CCN1CCc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC000076243255 1014838286 /nfs/dbraw/zinc/83/82/86/1014838286.db2.gz GNOFWKWHUUHDSB-UHFFFAOYSA-N 1 2 346.434 3.566 20 0 EHADLO COc1nc(C)cc(C)c1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000683200853 1014922265 /nfs/dbraw/zinc/92/22/65/1014922265.db2.gz IUIXFPXIMNSPAO-UHFFFAOYSA-N 1 2 331.416 3.746 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1nc(Cc2ccccc2)no1 ZINC000634579271 1014954717 /nfs/dbraw/zinc/95/47/17/1014954717.db2.gz BBVJWDBGLPSDND-OAHLLOKOSA-N 1 2 349.434 3.584 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000433046251 1032110326 /nfs/dbraw/zinc/11/03/26/1032110326.db2.gz TZMCLDIBTBJVLP-TZMCWYRMSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000433046251 1032110339 /nfs/dbraw/zinc/11/03/39/1032110339.db2.gz TZMCLDIBTBJVLP-TZMCWYRMSA-N 1 2 329.893 3.754 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208641371 1015136956 /nfs/dbraw/zinc/13/69/56/1015136956.db2.gz GYTNIZNKEKHMAW-SFHVURJKSA-N 1 2 331.456 3.656 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208641371 1015136960 /nfs/dbraw/zinc/13/69/60/1015136960.db2.gz GYTNIZNKEKHMAW-SFHVURJKSA-N 1 2 331.456 3.656 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(F)c4ccccc4c3)n2)C1 ZINC000556309271 1015172096 /nfs/dbraw/zinc/17/20/96/1015172096.db2.gz XJURFSMDWHQCGC-QGZVFWFLSA-N 1 2 341.386 3.811 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(F)c4ccccc4c3)n2)C1 ZINC000556309271 1015172104 /nfs/dbraw/zinc/17/21/04/1015172104.db2.gz XJURFSMDWHQCGC-QGZVFWFLSA-N 1 2 341.386 3.811 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H](C2CCC2)C1 ZINC000620204652 1125500538 /nfs/dbraw/zinc/50/05/38/1125500538.db2.gz RKQYYGTYMKSQSL-LJQANCHMSA-N 1 2 337.467 3.513 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000536676460 1032115216 /nfs/dbraw/zinc/11/52/16/1032115216.db2.gz GAFLQDUTBGUBGI-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000536676460 1032115223 /nfs/dbraw/zinc/11/52/23/1032115223.db2.gz GAFLQDUTBGUBGI-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC000655341225 1015373831 /nfs/dbraw/zinc/37/38/31/1015373831.db2.gz PCHOMVKYHMKWNY-CYBMUJFWSA-N 1 2 333.407 3.791 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC000655341225 1015373840 /nfs/dbraw/zinc/37/38/40/1015373840.db2.gz PCHOMVKYHMKWNY-CYBMUJFWSA-N 1 2 333.407 3.791 20 0 EHADLO Cc1ccnc(C[N@@H+](Cc2ccc(Br)cc2)C(C)C)n1 ZINC000339649070 1015457395 /nfs/dbraw/zinc/45/73/95/1015457395.db2.gz IPNFMVUBWWMMBW-UHFFFAOYSA-N 1 2 334.261 3.958 20 0 EHADLO Cc1ccnc(C[N@H+](Cc2ccc(Br)cc2)C(C)C)n1 ZINC000339649070 1015457403 /nfs/dbraw/zinc/45/74/03/1015457403.db2.gz IPNFMVUBWWMMBW-UHFFFAOYSA-N 1 2 334.261 3.958 20 0 EHADLO Cc1ccnc(C[N@@H+](Cc2cccc(Br)c2)C(C)C)n1 ZINC000339654448 1015468608 /nfs/dbraw/zinc/46/86/08/1015468608.db2.gz XLXDXXSKTFZKBD-UHFFFAOYSA-N 1 2 334.261 3.958 20 0 EHADLO Cc1ccnc(C[N@H+](Cc2cccc(Br)c2)C(C)C)n1 ZINC000339654448 1015468614 /nfs/dbraw/zinc/46/86/14/1015468614.db2.gz XLXDXXSKTFZKBD-UHFFFAOYSA-N 1 2 334.261 3.958 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nc3ccccc3s2)c1C ZINC000179603244 1015477233 /nfs/dbraw/zinc/47/72/33/1015477233.db2.gz MZCGUTVRXIMNTQ-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nccc(C)n4)CC3)c2c1 ZINC000339665557 1015487897 /nfs/dbraw/zinc/48/78/97/1015487897.db2.gz NLNARGVPMHTINX-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nccc(C)n4)CC3)c2c1 ZINC000339665557 1015487902 /nfs/dbraw/zinc/48/79/02/1015487902.db2.gz NLNARGVPMHTINX-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2csc(C(F)(F)F)c2)c1 ZINC000598978829 1033628820 /nfs/dbraw/zinc/62/88/20/1033628820.db2.gz WKMSKSGOKJGUSM-UHFFFAOYSA-N 1 2 348.415 4.000 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000154535099 1015523155 /nfs/dbraw/zinc/52/31/55/1015523155.db2.gz MKGYIVUUYLINNK-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000154535099 1015523166 /nfs/dbraw/zinc/52/31/66/1015523166.db2.gz MKGYIVUUYLINNK-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603425 990267176 /nfs/dbraw/zinc/26/71/76/990267176.db2.gz ZNGGGSDONAKUQX-CZUORRHYSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603425 990267186 /nfs/dbraw/zinc/26/71/86/990267186.db2.gz ZNGGGSDONAKUQX-CZUORRHYSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000655407830 1015574262 /nfs/dbraw/zinc/57/42/62/1015574262.db2.gz GYUMRHRZBWSYAU-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc(N(C)C)s3)[C@@H](C)CO2)c1 ZINC000536678222 1032120210 /nfs/dbraw/zinc/12/02/10/1032120210.db2.gz ITCAUKMYYFXICR-YJBOKZPZSA-N 1 2 345.512 3.788 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc(N(C)C)s3)[C@@H](C)CO2)c1 ZINC000536678222 1032120220 /nfs/dbraw/zinc/12/02/20/1032120220.db2.gz ITCAUKMYYFXICR-YJBOKZPZSA-N 1 2 345.512 3.788 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1ccccn1 ZINC000275003798 1015743410 /nfs/dbraw/zinc/74/34/10/1015743410.db2.gz OKDKOERZRJIVQQ-LLVKDONJSA-N 1 2 345.244 3.582 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000547756809 1015867381 /nfs/dbraw/zinc/86/73/81/1015867381.db2.gz UIYOSOWIMROLOR-MRXNPFEDSA-N 1 2 348.450 3.717 20 0 EHADLO CCOc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180197541 1015880995 /nfs/dbraw/zinc/88/09/95/1015880995.db2.gz XZSMPAMFNDZOLL-FQEVSTJZSA-N 1 2 339.414 3.837 20 0 EHADLO Clc1cc(Cl)cc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000339925625 1015952787 /nfs/dbraw/zinc/95/27/87/1015952787.db2.gz ZUWULJZUYOGHSL-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)oc2cc1C ZINC000120739114 1015985326 /nfs/dbraw/zinc/98/53/26/1015985326.db2.gz TXPRFHSADPHKIX-KRWDZBQOSA-N 1 2 336.391 3.738 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(-n2cccc2)nc1 ZINC000084590605 1016085772 /nfs/dbraw/zinc/08/57/72/1016085772.db2.gz AJYLMOQTNSMCOV-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1ccc2nc(C(=O)NCCCCNc3cccc[nH+]3)ccc2c1 ZINC000339982821 1016100374 /nfs/dbraw/zinc/10/03/74/1016100374.db2.gz XKIJEJZUCHZTGI-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3C#N)CC1)O2 ZINC000039227133 1016127744 /nfs/dbraw/zinc/12/77/44/1016127744.db2.gz BTWZEFBEIVVITF-UHFFFAOYSA-N 1 2 346.430 3.867 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109581188 1016171341 /nfs/dbraw/zinc/17/13/41/1016171341.db2.gz XTHNWGRYRDXABS-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO Clc1ccc2c(Cl)ncnc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC001167127996 1016220235 /nfs/dbraw/zinc/22/02/35/1016220235.db2.gz BGEYIHKJYQXYGA-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CCOc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1C ZINC000340099526 1016299246 /nfs/dbraw/zinc/29/92/46/1016299246.db2.gz RQIHWALFGRDJRB-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCC[C@H]1C ZINC000340107373 1016321298 /nfs/dbraw/zinc/32/12/98/1016321298.db2.gz WVMIULMLKYYSKN-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1CCO[C@@H](COc2ccccc2)C1 ZINC001167154866 1016368551 /nfs/dbraw/zinc/36/85/51/1016368551.db2.gz DUBIETVEFRJEQB-GOSISDBHSA-N 1 2 334.419 3.827 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000376593320 1016709506 /nfs/dbraw/zinc/70/95/06/1016709506.db2.gz RSZCPSOBFUXLHG-SUMWQHHRSA-N 1 2 330.407 3.700 20 0 EHADLO CCn1c(C[N@H+](CCOC)Cc2ccccc2)nc2cc(F)ccc21 ZINC000340212207 1016711878 /nfs/dbraw/zinc/71/18/78/1016711878.db2.gz BKOJVOBCOHDLPN-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO CCn1c(C[N@@H+](CCOC)Cc2ccccc2)nc2cc(F)ccc21 ZINC000340212207 1016711886 /nfs/dbraw/zinc/71/18/86/1016711886.db2.gz BKOJVOBCOHDLPN-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO COc1cc(Cl)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000431833973 1016736999 /nfs/dbraw/zinc/73/69/99/1016736999.db2.gz PRPYDMBSSDLGJQ-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(Cl)c1 ZINC000135182829 1016827679 /nfs/dbraw/zinc/82/76/79/1016827679.db2.gz QCCYYUPBKKIXCG-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000584334300 1032150849 /nfs/dbraw/zinc/15/08/49/1032150849.db2.gz ABCQOTLZWLEEOS-IAGOWNOFSA-N 1 2 341.459 3.664 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955253 1016846778 /nfs/dbraw/zinc/84/67/78/1016846778.db2.gz PMMMSWIQOLZRRM-APWZRJJASA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955253 1016846790 /nfs/dbraw/zinc/84/67/90/1016846790.db2.gz PMMMSWIQOLZRRM-APWZRJJASA-N 1 2 347.462 3.849 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cn1 ZINC000890794802 1016885239 /nfs/dbraw/zinc/88/52/39/1016885239.db2.gz XCAXJMLMCYPLPY-ZDUSSCGKSA-N 1 2 340.349 3.708 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121179218 1016914662 /nfs/dbraw/zinc/91/46/62/1016914662.db2.gz KYSWGYHTAQIQPG-GOSISDBHSA-N 1 2 336.414 3.990 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121179218 1016914677 /nfs/dbraw/zinc/91/46/77/1016914677.db2.gz KYSWGYHTAQIQPG-GOSISDBHSA-N 1 2 336.414 3.990 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000340320187 1016937342 /nfs/dbraw/zinc/93/73/42/1016937342.db2.gz HOMJILRTQBPMLK-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000340320187 1016937350 /nfs/dbraw/zinc/93/73/50/1016937350.db2.gz HOMJILRTQBPMLK-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO CCc1c(Cl)nc(C)nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782981221 1016977466 /nfs/dbraw/zinc/97/74/66/1016977466.db2.gz ZMMCCKXCZZSQMQ-UHFFFAOYSA-N 1 2 347.894 3.894 20 0 EHADLO COc1cc(C)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000376715785 1016999726 /nfs/dbraw/zinc/99/97/26/1016999726.db2.gz DFRIBXDKEHRURT-OAHLLOKOSA-N 1 2 342.443 3.755 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1c(F)cccc1F ZINC000538126499 1032168118 /nfs/dbraw/zinc/16/81/18/1032168118.db2.gz XAOLRHSFGUGGFG-UONOGXRCSA-N 1 2 344.405 3.983 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1cccc(O)c1 ZINC000080923661 1032205649 /nfs/dbraw/zinc/20/56/49/1032205649.db2.gz IKJIDYJHWRCKJG-NSHDSACASA-N 1 2 336.794 3.644 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923661 1032205662 /nfs/dbraw/zinc/20/56/62/1032205662.db2.gz IKJIDYJHWRCKJG-NSHDSACASA-N 1 2 336.794 3.644 20 0 EHADLO CC[N@H+](Cc1csc(-c2ncccn2)n1)[C@@H](C)c1cccc(O)c1 ZINC000080932058 1032205743 /nfs/dbraw/zinc/20/57/43/1032205743.db2.gz VNTSPEIFQDNGPL-ZDUSSCGKSA-N 1 2 340.452 3.889 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)[C@@H](C)c1cccc(O)c1 ZINC000080932058 1032205765 /nfs/dbraw/zinc/20/57/65/1032205765.db2.gz VNTSPEIFQDNGPL-ZDUSSCGKSA-N 1 2 340.452 3.889 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@@]3(C)CCCc4ccccc43)[nH+]c12 ZINC000538223039 1032221963 /nfs/dbraw/zinc/22/19/63/1032221963.db2.gz SEBDJIFMPFAWAM-JOCHJYFZSA-N 1 2 347.462 3.596 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176830713 1032235180 /nfs/dbraw/zinc/23/51/80/1032235180.db2.gz ZIXUDMVGNIVNOR-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCCO2 ZINC000183844688 1032231969 /nfs/dbraw/zinc/23/19/69/1032231969.db2.gz PLFVMEYLILYARK-QGZVFWFLSA-N 1 2 340.471 3.741 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176830713 1032235191 /nfs/dbraw/zinc/23/51/91/1032235191.db2.gz ZIXUDMVGNIVNOR-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO Fc1ccccc1-c1csc(C[NH2+]Cc2cnc(C3CC3)nc2)n1 ZINC000459508506 1032233529 /nfs/dbraw/zinc/23/35/29/1032233529.db2.gz TZJJSOASMBGCLP-UHFFFAOYSA-N 1 2 340.427 3.906 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000683516495 1017244262 /nfs/dbraw/zinc/24/42/62/1017244262.db2.gz DTXQIWWVILPYQK-IEBWSBKVSA-N 1 2 343.430 3.624 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1cnccc1C ZINC000459532509 1032252673 /nfs/dbraw/zinc/25/26/73/1032252673.db2.gz RUSURVISNYMQOM-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1cnccc1C ZINC000459532509 1032252685 /nfs/dbraw/zinc/25/26/85/1032252685.db2.gz RUSURVISNYMQOM-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081178308 1032257254 /nfs/dbraw/zinc/25/72/54/1032257254.db2.gz JEDUCRXNYBZQAU-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000081266650 1032277623 /nfs/dbraw/zinc/27/76/23/1032277623.db2.gz JWYXSKFULMZAHU-UHFFFAOYSA-N 1 2 346.843 3.531 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)n1 ZINC000184359570 1032286063 /nfs/dbraw/zinc/28/60/63/1032286063.db2.gz SJOLILPXRSWLPS-HNNXBMFYSA-N 1 2 343.496 3.533 20 0 EHADLO COc1nccnc1C[NH2+]Cc1ccc(C)cc1OCCC(C)C ZINC000449194998 1032290482 /nfs/dbraw/zinc/29/04/82/1032290482.db2.gz USFYMSWGVGLQQM-UHFFFAOYSA-N 1 2 329.444 3.508 20 0 EHADLO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000081301626 1032291984 /nfs/dbraw/zinc/29/19/84/1032291984.db2.gz XXCAUMIEECDDKP-CRAIPNDOSA-N 1 2 327.428 3.617 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCCOc3c(Cl)cccc32)c(C)c[nH+]1 ZINC000538328486 1032299795 /nfs/dbraw/zinc/29/97/95/1032299795.db2.gz ZHLCCEVTSOTRIQ-HNNXBMFYSA-N 1 2 345.830 3.809 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)Cc1cccc(F)c1 ZINC000081338559 1032299736 /nfs/dbraw/zinc/29/97/36/1032299736.db2.gz CRAODWFYSKMHMV-GOEBONIOSA-N 1 2 329.419 3.524 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(F)cn2)no1)c1ccc(Cl)cc1 ZINC000904938584 1032300304 /nfs/dbraw/zinc/30/03/04/1032300304.db2.gz QYQFUDXRLBJDGW-CQSZACIVSA-N 1 2 332.766 3.575 20 0 EHADLO COc1ccc(-n2cc(C[NH2+]Cc3nc(C(C)C)cs3)cn2)cc1 ZINC000449185405 1032300457 /nfs/dbraw/zinc/30/04/57/1032300457.db2.gz BAXHVDDYLWDNFM-UHFFFAOYSA-N 1 2 342.468 3.751 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000184598005 1032301744 /nfs/dbraw/zinc/30/17/44/1032301744.db2.gz HRNSXPPQWMUIPU-AWEZNQCLSA-N 1 2 335.904 3.718 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000184503783 1032306794 /nfs/dbraw/zinc/30/67/94/1032306794.db2.gz ORDMOFHRVOZQGT-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@@H](CNc1cc(CSCCO)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000449208607 1032311903 /nfs/dbraw/zinc/31/19/03/1032311903.db2.gz SMEYPEASFFFSCL-LBPRGKRZSA-N 1 2 338.423 3.801 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000139266384 1032315618 /nfs/dbraw/zinc/31/56/18/1032315618.db2.gz QUUBCDTXWUQPNT-NSHDSACASA-N 1 2 329.425 3.619 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000139266384 1032315621 /nfs/dbraw/zinc/31/56/21/1032315621.db2.gz QUUBCDTXWUQPNT-NSHDSACASA-N 1 2 329.425 3.619 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184863029 1032328357 /nfs/dbraw/zinc/32/83/57/1032328357.db2.gz GNOPLMVATUPXFR-LSDHHAIUSA-N 1 2 329.444 3.543 20 0 EHADLO COCC[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CC=CCC1 ZINC000485137703 1032338542 /nfs/dbraw/zinc/33/85/42/1032338542.db2.gz XYWDIYMIAAHDMU-INIZCTEOSA-N 1 2 333.476 3.922 20 0 EHADLO COCC[N@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CC=CCC1 ZINC000485137703 1032338550 /nfs/dbraw/zinc/33/85/50/1032338550.db2.gz XYWDIYMIAAHDMU-INIZCTEOSA-N 1 2 333.476 3.922 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cc(C)oc3C)n2)cc1 ZINC000278753270 1032340640 /nfs/dbraw/zinc/34/06/40/1032340640.db2.gz OAOFQWLXTSAEAJ-AWEZNQCLSA-N 1 2 325.412 3.942 20 0 EHADLO CCn1c(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)nc2cc(F)ccc21 ZINC000459633550 1032350523 /nfs/dbraw/zinc/35/05/23/1032350523.db2.gz PCSJQBLMBISIED-NSHDSACASA-N 1 2 344.459 3.991 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000584389571 1032352071 /nfs/dbraw/zinc/35/20/71/1032352071.db2.gz UYJOSQHBSOVKNS-UHFFFAOYSA-N 1 2 343.324 3.693 20 0 EHADLO O=C(NCCC1=CCCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905141681 1032359343 /nfs/dbraw/zinc/35/93/43/1032359343.db2.gz DKBJOXFHCIBNFH-UHFFFAOYSA-N 1 2 328.460 3.558 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1F ZINC000528497780 1032361316 /nfs/dbraw/zinc/36/13/16/1032361316.db2.gz RVPMPQFHCIYEOB-QWHCGFSZSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1F ZINC000528497780 1032361327 /nfs/dbraw/zinc/36/13/27/1032361327.db2.gz RVPMPQFHCIYEOB-QWHCGFSZSA-N 1 2 346.215 3.871 20 0 EHADLO O=[S@](CCOC1CCCCC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000905196432 1032369098 /nfs/dbraw/zinc/36/90/98/1032369098.db2.gz SITNVEIGBAOYIY-XMMPIXPASA-N 1 2 346.496 3.529 20 0 EHADLO COc1cccc(Cl)c1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185239815 1032371425 /nfs/dbraw/zinc/37/14/25/1032371425.db2.gz FMHAULXQCBXHHC-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3ncccc3Cl)CC2)c1 ZINC000528506544 1032409475 /nfs/dbraw/zinc/40/94/75/1032409475.db2.gz DYBOMNCSCIXHKD-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO OC[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc(Cl)c1F ZINC000449299677 1032417582 /nfs/dbraw/zinc/41/75/82/1032417582.db2.gz BMZVFOWJYKEBMX-INIZCTEOSA-N 1 2 337.826 3.614 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118835866 1032422871 /nfs/dbraw/zinc/42/28/71/1032422871.db2.gz ICKIYIWRUMXRNJ-SFHVURJKSA-N 1 2 339.483 3.748 20 0 EHADLO CC(C)(C)Cc1nc2cc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)ccc2o1 ZINC000635541124 1032472104 /nfs/dbraw/zinc/47/21/04/1032472104.db2.gz MDXRREPRWIXLRM-CHWSQXEVSA-N 1 2 338.411 3.882 20 0 EHADLO CC(C)(C)Cc1nc2cc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)ccc2o1 ZINC000635541124 1032472108 /nfs/dbraw/zinc/47/21/08/1032472108.db2.gz MDXRREPRWIXLRM-CHWSQXEVSA-N 1 2 338.411 3.882 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000086992313 1032477280 /nfs/dbraw/zinc/47/72/80/1032477280.db2.gz JZOQSYLEABSYFK-KBXCAEBGSA-N 1 2 344.434 3.641 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1c(F)cccc1F ZINC000537024278 1032489860 /nfs/dbraw/zinc/48/98/60/1032489860.db2.gz FBAAUGVTZADJJV-KGLIPLIRSA-N 1 2 332.394 3.835 20 0 EHADLO CC(C)N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000086364529 1032485205 /nfs/dbraw/zinc/48/52/05/1032485205.db2.gz ZQNPUDFDWGVATL-HNNXBMFYSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)C[C@@H]3CCc4ccccc43)ccc2[nH+]1 ZINC000665951419 1032491736 /nfs/dbraw/zinc/49/17/36/1032491736.db2.gz KOXBWFBNEIREKC-INIZCTEOSA-N 1 2 334.423 3.836 20 0 EHADLO COc1cccc([C@H](C)[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000528594295 1032500182 /nfs/dbraw/zinc/50/01/82/1032500182.db2.gz QHXHPOUHRGWYLS-AWEZNQCLSA-N 1 2 325.456 3.902 20 0 EHADLO COc1cccc([C@H](C)[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000528594295 1032500186 /nfs/dbraw/zinc/50/01/86/1032500186.db2.gz QHXHPOUHRGWYLS-AWEZNQCLSA-N 1 2 325.456 3.902 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000089968368 1032549523 /nfs/dbraw/zinc/54/95/23/1032549523.db2.gz GMHVOTCOUBARND-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968850 1032549879 /nfs/dbraw/zinc/54/98/79/1032549879.db2.gz ZGGWQRIMVDHPPQ-UHFFFAOYSA-N 1 2 340.345 3.539 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000449418166 1032553013 /nfs/dbraw/zinc/55/30/13/1032553013.db2.gz BNUDSBIUYVFVKK-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000449418166 1032553019 /nfs/dbraw/zinc/55/30/19/1032553019.db2.gz BNUDSBIUYVFVKK-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1nc(-c2ccncc2)cs1 ZINC000537193644 1032553336 /nfs/dbraw/zinc/55/33/36/1032553336.db2.gz UNRCLXGZFKBCDF-WBMJQRKESA-N 1 2 339.468 3.741 20 0 EHADLO CC(C)c1cc(N2CCCN(c3nccs3)CC2)nc(C(C)C)[nH+]1 ZINC000090083274 1032570691 /nfs/dbraw/zinc/57/06/91/1032570691.db2.gz RXECGVBIZBCHKC-UHFFFAOYSA-N 1 2 345.516 3.897 20 0 EHADLO COc1cccnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000592811153 1032587419 /nfs/dbraw/zinc/58/74/19/1032587419.db2.gz IMDQSHJSZLLQDD-AWEZNQCLSA-N 1 2 331.847 3.627 20 0 EHADLO Cc1nn(C[NH+]2CCCCCCC2)c(=S)n1Cc1ccccc1 ZINC000058591758 1032596571 /nfs/dbraw/zinc/59/65/71/1032596571.db2.gz LMYLFBIJMGIUID-UHFFFAOYSA-N 1 2 330.501 3.994 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cncc(F)c1 ZINC000090883191 1032605530 /nfs/dbraw/zinc/60/55/30/1032605530.db2.gz OKZBVJZCPIVREG-NSHDSACASA-N 1 2 332.329 3.535 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(SC)c2)cc1F ZINC000138872707 1032619044 /nfs/dbraw/zinc/61/90/44/1032619044.db2.gz VHBWYXGELOEOHV-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(SC)c2)cc1F ZINC000138872707 1032619059 /nfs/dbraw/zinc/61/90/59/1032619059.db2.gz VHBWYXGELOEOHV-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO Cc1cc2[nH]c(C[NH2+]Cc3nn(C)cc3Br)cc2c(C)c1 ZINC000449483352 1032634834 /nfs/dbraw/zinc/63/48/34/1032634834.db2.gz IPFXGSPSSIIOIY-UHFFFAOYSA-N 1 2 347.260 3.571 20 0 EHADLO C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000606320428 1032636250 /nfs/dbraw/zinc/63/62/50/1032636250.db2.gz NLCPKNWTJJMXOR-AWEZNQCLSA-N 1 2 335.382 3.771 20 0 EHADLO C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000606321480 1032638310 /nfs/dbraw/zinc/63/83/10/1032638310.db2.gz VHITZTJITLFEMQ-CQSZACIVSA-N 1 2 335.382 3.771 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000376786912 1017112596 /nfs/dbraw/zinc/11/25/96/1017112596.db2.gz ILOSPZXFAPDQEE-UONOGXRCSA-N 1 2 339.395 3.664 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC(C)(C)C(C)(C)C)c1ccccc1 ZINC000655621403 1017307231 /nfs/dbraw/zinc/30/72/31/1017307231.db2.gz NLDYZJXCIHBYKJ-INIZCTEOSA-N 1 2 342.487 3.828 20 0 EHADLO CCC1(CC)CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000655621736 1017309307 /nfs/dbraw/zinc/30/93/07/1017309307.db2.gz SVLILSDYKMOKRU-KRWDZBQOSA-N 1 2 340.471 3.536 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000135617392 1017332768 /nfs/dbraw/zinc/33/27/68/1017332768.db2.gz HONVMASLTHLVEG-CYBMUJFWSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000135617392 1017332781 /nfs/dbraw/zinc/33/27/81/1017332781.db2.gz HONVMASLTHLVEG-CYBMUJFWSA-N 1 2 328.441 3.646 20 0 EHADLO COc1cncc(C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)n1 ZINC000625293766 1017343675 /nfs/dbraw/zinc/34/36/75/1017343675.db2.gz BWDOTBDHPUVSGG-QMMMGPOBSA-N 1 2 330.190 3.782 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450577 1032693540 /nfs/dbraw/zinc/69/35/40/1032693540.db2.gz IVHYTIZIABBVQR-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450577 1032693549 /nfs/dbraw/zinc/69/35/49/1032693549.db2.gz IVHYTIZIABBVQR-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+](C)CCc1noc(C(C)C)n1 ZINC001143488781 1017460590 /nfs/dbraw/zinc/46/05/90/1017460590.db2.gz VSGBWJDYZCOYFB-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001143488781 1017460594 /nfs/dbraw/zinc/46/05/94/1017460594.db2.gz VSGBWJDYZCOYFB-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO c1c(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)nn2c1CCCC2 ZINC000655723321 1017465525 /nfs/dbraw/zinc/46/55/25/1017465525.db2.gz JCFRQDGREVTZOP-UHFFFAOYSA-N 1 2 334.423 3.697 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cc3n(n2)CCCC3)ccn1 ZINC000655735458 1017485108 /nfs/dbraw/zinc/48/51/08/1017485108.db2.gz VRMWKBKEMHSFPL-MRXNPFEDSA-N 1 2 342.487 3.718 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121513836 1017487037 /nfs/dbraw/zinc/48/70/37/1017487037.db2.gz HXXVYQUOZKHLHN-OAHLLOKOSA-N 1 2 341.798 3.510 20 0 EHADLO Fc1cc2cccnc2c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528733611 1032705543 /nfs/dbraw/zinc/70/55/43/1032705543.db2.gz LWKMYVKUYYUYHD-UHFFFAOYSA-N 1 2 334.398 3.600 20 0 EHADLO Fc1cc2cccnc2c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528733611 1032705555 /nfs/dbraw/zinc/70/55/55/1032705555.db2.gz LWKMYVKUYYUYHD-UHFFFAOYSA-N 1 2 334.398 3.600 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2cc(Cl)nc(C3CCC3)n2)CC1 ZINC000892830398 1017530163 /nfs/dbraw/zinc/53/01/63/1017530163.db2.gz CEYRKIVKDOGQKT-UHFFFAOYSA-N 1 2 344.837 3.563 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2cc(Cl)nc(C3CCC3)n2)CC1 ZINC000892830398 1017530173 /nfs/dbraw/zinc/53/01/73/1017530173.db2.gz CEYRKIVKDOGQKT-UHFFFAOYSA-N 1 2 344.837 3.563 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1nnc2n1CCCCC2 ZINC000657864788 1032706063 /nfs/dbraw/zinc/70/60/63/1032706063.db2.gz OFGUEPYBPAQCOJ-DZGCQCFKSA-N 1 2 339.443 3.948 20 0 EHADLO Cc1cc(N[C@@H]2CCCn3ccnc32)c[nH+]c1N1CCCC[C@H]1C ZINC000655750664 1017539437 /nfs/dbraw/zinc/53/94/37/1017539437.db2.gz DXOLPSHHJMIASQ-NVXWUHKLSA-N 1 2 325.460 3.912 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(F)(F)F ZINC000625352091 1017567000 /nfs/dbraw/zinc/56/70/00/1017567000.db2.gz FJKDATVOUBGRNS-CYBMUJFWSA-N 1 2 343.393 3.667 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C ZINC000091581756 1032708389 /nfs/dbraw/zinc/70/83/89/1032708389.db2.gz WBNOFVFTOKPYRW-MAUKXSAKSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C ZINC000091581756 1032708406 /nfs/dbraw/zinc/70/84/06/1032708406.db2.gz WBNOFVFTOKPYRW-MAUKXSAKSA-N 1 2 343.423 3.818 20 0 EHADLO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1(c2ccccc2)CCCC1 ZINC000655794499 1017624811 /nfs/dbraw/zinc/62/48/11/1017624811.db2.gz NXBMCNAZNDWGTE-RDJZCZTQSA-N 1 2 340.471 3.646 20 0 EHADLO c1ccc([C@@H](CC2CCC2)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655794864 1017628280 /nfs/dbraw/zinc/62/82/80/1017628280.db2.gz UBKFMCZYEISCNO-IAGOWNOFSA-N 1 2 326.444 3.677 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655796686 1017630959 /nfs/dbraw/zinc/63/09/59/1017630959.db2.gz IRDIOXIYXGSMNY-SLEUVZQESA-N 1 2 334.851 3.591 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000655799123 1017640477 /nfs/dbraw/zinc/64/04/77/1017640477.db2.gz ZXWLOYMBZOURLZ-KDOFPFPSSA-N 1 2 349.438 3.569 20 0 EHADLO CC(C)CO[C@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000325544041 1017649399 /nfs/dbraw/zinc/64/93/99/1017649399.db2.gz AVDWNYBTJVSTEA-OALUTQOASA-N 1 2 332.488 3.775 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(C2CC2)c1 ZINC000574155292 1032714395 /nfs/dbraw/zinc/71/43/95/1032714395.db2.gz AFFZSHPRGQTAGY-RDTXWAMCSA-N 1 2 338.455 3.558 20 0 EHADLO COc1cc(C)[nH+]c(CSCCCOc2ccc3c(c2)OCO3)c1 ZINC000537423194 1032722607 /nfs/dbraw/zinc/72/26/07/1032722607.db2.gz UJQVRLNUTYCARW-UHFFFAOYSA-N 1 2 347.436 3.830 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3CS(C)(=O)=O)o2)cc1 ZINC000449527577 1032728435 /nfs/dbraw/zinc/72/84/35/1032728435.db2.gz JNRDDBWHOXFQEN-KRWDZBQOSA-N 1 2 347.480 3.654 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CS(C)(=O)=O)o2)cc1 ZINC000449527577 1032728450 /nfs/dbraw/zinc/72/84/50/1032728450.db2.gz JNRDDBWHOXFQEN-KRWDZBQOSA-N 1 2 347.480 3.654 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000155470665 1017852888 /nfs/dbraw/zinc/85/28/88/1017852888.db2.gz RSSSTYRUNWJQQI-MJGOQNOKSA-N 1 2 325.456 3.542 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000066792292 1017915817 /nfs/dbraw/zinc/91/58/17/1017915817.db2.gz MSLLXUQFWIHRHC-FQEVSTJZSA-N 1 2 349.409 3.844 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000066792292 1017915829 /nfs/dbraw/zinc/91/58/29/1017915829.db2.gz MSLLXUQFWIHRHC-FQEVSTJZSA-N 1 2 349.409 3.844 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1noc2c1CCCC2)c1cccs1 ZINC000121837730 1017945026 /nfs/dbraw/zinc/94/50/26/1017945026.db2.gz YKQQLWDCWBTLAA-ZDUSSCGKSA-N 1 2 330.453 3.852 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1noc2c1CCCC2)c1cccs1 ZINC000121837730 1017945037 /nfs/dbraw/zinc/94/50/37/1017945037.db2.gz YKQQLWDCWBTLAA-ZDUSSCGKSA-N 1 2 330.453 3.852 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)on1 ZINC000659847493 1017982224 /nfs/dbraw/zinc/98/22/24/1017982224.db2.gz OMEPURPWOMTMKB-CQSZACIVSA-N 1 2 337.217 3.783 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)on1 ZINC000659847493 1017982237 /nfs/dbraw/zinc/98/22/37/1017982237.db2.gz OMEPURPWOMTMKB-CQSZACIVSA-N 1 2 337.217 3.783 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCc3ccccc3C(F)(F)F)ccn12 ZINC001125393195 1018032657 /nfs/dbraw/zinc/03/26/57/1018032657.db2.gz QESMRIUPSYPSIZ-UHFFFAOYSA-N 1 2 347.340 3.634 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc(N)[nH+]c2)n1)CC[C@@H](C)C3 ZINC000193385740 1032738313 /nfs/dbraw/zinc/73/83/13/1032738313.db2.gz IHZKOBWZYSXBCJ-SNVBAGLBSA-N 1 2 339.468 3.714 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000066796011 1018167581 /nfs/dbraw/zinc/16/75/81/1018167581.db2.gz ZINOHYUCOSJXKQ-QGZVFWFLSA-N 1 2 330.501 3.970 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000066796011 1018167589 /nfs/dbraw/zinc/16/75/89/1018167589.db2.gz ZINOHYUCOSJXKQ-QGZVFWFLSA-N 1 2 330.501 3.970 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)sc21 ZINC000377695010 1018197158 /nfs/dbraw/zinc/19/71/58/1018197158.db2.gz LNZNSKVYXMWPSM-HNNXBMFYSA-N 1 2 325.437 3.884 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000431849669 1018221404 /nfs/dbraw/zinc/22/14/04/1018221404.db2.gz FFSZLHALKHYULA-RUCARUNLSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCCCn1cc[nH+]c1 ZINC000783057352 1018316737 /nfs/dbraw/zinc/31/67/37/1018316737.db2.gz TVJZNTZZOPTGLU-LLVKDONJSA-N 1 2 343.210 3.591 20 0 EHADLO CC(C)[NH+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000651080320 1018392429 /nfs/dbraw/zinc/39/24/29/1018392429.db2.gz ZAMQQASTVXNFLV-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000449563593 1032764963 /nfs/dbraw/zinc/76/49/63/1032764963.db2.gz WSNDBPLOKSBBOE-CQSZACIVSA-N 1 2 343.862 3.901 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000606581487 1032765102 /nfs/dbraw/zinc/76/51/02/1032765102.db2.gz FQMOAMKMDPLJKX-UHFFFAOYSA-N 1 2 336.370 3.795 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc2ccccc2[nH]1 ZINC000606583179 1032766785 /nfs/dbraw/zinc/76/67/85/1032766785.db2.gz RZSIWZDHAGNVQP-QGZVFWFLSA-N 1 2 348.410 3.729 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccsc1 ZINC000275750643 1018495612 /nfs/dbraw/zinc/49/56/12/1018495612.db2.gz SMZHIUHIMVATEQ-IRXDYDNUSA-N 1 2 344.459 3.592 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000377881964 1018509085 /nfs/dbraw/zinc/50/90/85/1018509085.db2.gz BJBVLFZQLLQPCI-HZPDHXFCSA-N 1 2 343.345 3.651 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000377881964 1018509094 /nfs/dbraw/zinc/50/90/94/1018509094.db2.gz BJBVLFZQLLQPCI-HZPDHXFCSA-N 1 2 343.345 3.651 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1N1CCCCC1 ZINC000340566920 1018511730 /nfs/dbraw/zinc/51/17/30/1018511730.db2.gz UNGCOPUBOADDQA-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CCCc1nc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131905 1018519089 /nfs/dbraw/zinc/51/90/89/1018519089.db2.gz UJEKBMMWZJKFJG-QFBILLFUSA-N 1 2 329.444 3.622 20 0 EHADLO CCCc1nc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131905 1018519100 /nfs/dbraw/zinc/51/91/00/1018519100.db2.gz UJEKBMMWZJKFJG-QFBILLFUSA-N 1 2 329.444 3.622 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000340583145 1018586796 /nfs/dbraw/zinc/58/67/96/1018586796.db2.gz HMMPFVMTNPOSJP-NRFANRHFSA-N 1 2 345.446 3.537 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccccc3OC(F)F)ccc2[nH+]1 ZINC000340594405 1018601070 /nfs/dbraw/zinc/60/10/70/1018601070.db2.gz PZEMGZXBUCFPQW-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO FC1(F)C[C@H]1OCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000659875602 1018608766 /nfs/dbraw/zinc/60/87/66/1018608766.db2.gz OGSMXRXGWZVLOF-LSDHHAIUSA-N 1 2 349.381 3.688 20 0 EHADLO FC1(F)C[C@H]1OCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000659875602 1018608776 /nfs/dbraw/zinc/60/87/76/1018608776.db2.gz OGSMXRXGWZVLOF-LSDHHAIUSA-N 1 2 349.381 3.688 20 0 EHADLO CCc1oc(C[N@H+](C)Cc2ccc(Cl)s2)cc1C(=O)OC ZINC000549383783 1018611305 /nfs/dbraw/zinc/61/13/05/1018611305.db2.gz BYOPUIRNWFQFBF-UHFFFAOYSA-N 1 2 327.833 3.976 20 0 EHADLO CCc1oc(C[N@@H+](C)Cc2ccc(Cl)s2)cc1C(=O)OC ZINC000549383783 1018611312 /nfs/dbraw/zinc/61/13/12/1018611312.db2.gz BYOPUIRNWFQFBF-UHFFFAOYSA-N 1 2 327.833 3.976 20 0 EHADLO O=C(CCCc1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377981908 1018633846 /nfs/dbraw/zinc/63/38/46/1018633846.db2.gz GTFIODCCBWHLFN-UHFFFAOYSA-N 1 2 331.847 3.792 20 0 EHADLO O=C(CCCc1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377981908 1018633851 /nfs/dbraw/zinc/63/38/51/1018633851.db2.gz GTFIODCCBWHLFN-UHFFFAOYSA-N 1 2 331.847 3.792 20 0 EHADLO COC(=O)c1cc(Nc2cc(C)[nH+]c(OC)c2)c(OC)cc1Cl ZINC001210780297 1018671603 /nfs/dbraw/zinc/67/16/03/1018671603.db2.gz HHJUDRXHJGSAGX-UHFFFAOYSA-N 1 2 336.775 3.591 20 0 EHADLO COc1cccc(CNc2ccc(N3CCCC3)c[nH+]2)c1OC(C)C ZINC000513057137 1018721770 /nfs/dbraw/zinc/72/17/70/1018721770.db2.gz DGBONGOVMFEGDG-UHFFFAOYSA-N 1 2 341.455 3.512 20 0 EHADLO O=C(Cc1cscn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614352928 1018744263 /nfs/dbraw/zinc/74/42/63/1018744263.db2.gz HBPXGVLDWXYVLS-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580214612 1018805280 /nfs/dbraw/zinc/80/52/80/1018805280.db2.gz AIERVZJULKSYAV-DGCLKSJQSA-N 1 2 334.489 3.696 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580214612 1018805297 /nfs/dbraw/zinc/80/52/97/1018805297.db2.gz AIERVZJULKSYAV-DGCLKSJQSA-N 1 2 334.489 3.696 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000571381234 1018858075 /nfs/dbraw/zinc/85/80/75/1018858075.db2.gz QZOLVLNKNOLLKT-IBGZPJMESA-N 1 2 340.471 3.598 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580250163 1018865086 /nfs/dbraw/zinc/86/50/86/1018865086.db2.gz ZLSVJIHJLNNLCP-SFHVURJKSA-N 1 2 347.462 3.530 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000683848191 1018876702 /nfs/dbraw/zinc/87/67/02/1018876702.db2.gz DJXKIDUUROKVAR-KRWDZBQOSA-N 1 2 347.821 3.946 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000683848191 1018876719 /nfs/dbraw/zinc/87/67/19/1018876719.db2.gz DJXKIDUUROKVAR-KRWDZBQOSA-N 1 2 347.821 3.946 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CCCCC3)nc2)on1 ZINC000924888506 1018878148 /nfs/dbraw/zinc/87/81/48/1018878148.db2.gz ZXGIGYBDFGBOJF-CYBMUJFWSA-N 1 2 331.416 3.641 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3nc(C(C)(C)C)co3)CC2)c1 ZINC000894167205 1018886867 /nfs/dbraw/zinc/88/68/67/1018886867.db2.gz MSTPZCFSUAPOMA-UHFFFAOYSA-N 1 2 342.483 3.850 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000255319461 1018940832 /nfs/dbraw/zinc/94/08/32/1018940832.db2.gz XKXAAHBCESAJDO-FIXGOIDJSA-N 1 2 329.831 3.659 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1F ZINC000152650734 1019003200 /nfs/dbraw/zinc/00/32/00/1019003200.db2.gz WRBXNFCTIRRHNS-ZDUSSCGKSA-N 1 2 342.443 3.979 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1F ZINC000655340929 1019011680 /nfs/dbraw/zinc/01/16/80/1019011680.db2.gz JMTOVSSTFWVTFJ-UHFFFAOYSA-N 1 2 333.407 3.555 20 0 EHADLO C[C@H]1C[C@H](CC(=O)NCc2nc(C[NH+](C)C)cs2)CC(C)(C)C1 ZINC000927770102 1019019017 /nfs/dbraw/zinc/01/90/17/1019019017.db2.gz QLFNQMHPRUNPFB-UONOGXRCSA-N 1 2 337.533 3.673 20 0 EHADLO Cc1nc([C@@H]2CCCCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000408462516 1019021530 /nfs/dbraw/zinc/02/15/30/1019021530.db2.gz DOJRIGVQGGUCQP-HNNXBMFYSA-N 1 2 343.431 3.847 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000926093154 1019049037 /nfs/dbraw/zinc/04/90/37/1019049037.db2.gz MPQCLTXACRWXFZ-OXFYSEKESA-N 1 2 330.472 3.529 20 0 EHADLO c1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc3ccccc3s2)cc1 ZINC000052722238 1019215014 /nfs/dbraw/zinc/21/50/14/1019215014.db2.gz XYQJKJKEDQEUBX-QGZVFWFLSA-N 1 2 339.464 3.782 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(C)n1 ZINC001211041198 1019264385 /nfs/dbraw/zinc/26/43/85/1019264385.db2.gz KACQQWOIJHNXHX-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO Cc1c[nH+]c(CCNc2nc(-c3cccnc3)nc(C)c2C)c(C)c1 ZINC000656210585 1019295339 /nfs/dbraw/zinc/29/53/39/1019295339.db2.gz AQYRHAXENPSVLS-UHFFFAOYSA-N 1 2 333.439 3.822 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCC1 ZINC000666868153 1032825522 /nfs/dbraw/zinc/82/55/22/1032825522.db2.gz INEBFHRWRMNVSB-QGZVFWFLSA-N 1 2 331.391 3.545 20 0 EHADLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC000092534388 1032826147 /nfs/dbraw/zinc/82/61/47/1032826147.db2.gz XDHWEJCKOVDWNQ-UHFFFAOYSA-N 1 2 346.858 3.600 20 0 EHADLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC000092534388 1032826169 /nfs/dbraw/zinc/82/61/69/1032826169.db2.gz XDHWEJCKOVDWNQ-UHFFFAOYSA-N 1 2 346.858 3.600 20 0 EHADLO O=C(NCc1cccc(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862339 1019344017 /nfs/dbraw/zinc/34/40/17/1019344017.db2.gz GLABZIGIIIMKOU-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO Cc1[nH]c(CN[C@H](C)c2ccc(Br)cc2F)[nH+]c1C ZINC000568273194 1019344710 /nfs/dbraw/zinc/34/47/10/1019344710.db2.gz MJYRAPMIWHVLCV-SNVBAGLBSA-N 1 2 326.213 3.779 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc(Br)cc2F)[nH]c1C ZINC000568273194 1019344722 /nfs/dbraw/zinc/34/47/22/1019344722.db2.gz MJYRAPMIWHVLCV-SNVBAGLBSA-N 1 2 326.213 3.779 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc2ccccc21)c1nnc2n1CCCCC2 ZINC000894214314 1019359082 /nfs/dbraw/zinc/35/90/82/1019359082.db2.gz VELYGRQKBLFNLO-QGZVFWFLSA-N 1 2 335.455 3.794 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@H](F)C1 ZINC000580461622 1019407434 /nfs/dbraw/zinc/40/74/34/1019407434.db2.gz AMDLMFAXZJNLSK-HNNXBMFYSA-N 1 2 340.402 3.568 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528793427 1032833168 /nfs/dbraw/zinc/83/31/68/1032833168.db2.gz MQGDRBKHXLZVKI-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528793427 1032833184 /nfs/dbraw/zinc/83/31/84/1032833184.db2.gz MQGDRBKHXLZVKI-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000433643621 1019483294 /nfs/dbraw/zinc/48/32/94/1019483294.db2.gz VJNRXLZLQIIEDH-UHFFFAOYSA-N 1 2 339.443 3.871 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3sccc3C)CC2)c1 ZINC000513396562 1019606952 /nfs/dbraw/zinc/60/69/52/1019606952.db2.gz DXMNCYWEGPZTFD-MRXNPFEDSA-N 1 2 330.497 3.944 20 0 EHADLO CC(C)(C)c1cccc(OCC[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000513415457 1019646219 /nfs/dbraw/zinc/64/62/19/1019646219.db2.gz JLBCUTVAIJUUEX-OAHLLOKOSA-N 1 2 327.415 3.719 20 0 EHADLO CC(C)(C)c1cccc(OCC[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000513415457 1019646226 /nfs/dbraw/zinc/64/62/26/1019646226.db2.gz JLBCUTVAIJUUEX-OAHLLOKOSA-N 1 2 327.415 3.719 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000656259906 1019728917 /nfs/dbraw/zinc/72/89/17/1019728917.db2.gz NZFMXRHTZMEIAG-LJQANCHMSA-N 1 2 339.418 3.770 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000656259906 1019728934 /nfs/dbraw/zinc/72/89/34/1019728934.db2.gz NZFMXRHTZMEIAG-LJQANCHMSA-N 1 2 339.418 3.770 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000513606493 1019851130 /nfs/dbraw/zinc/85/11/30/1019851130.db2.gz OWOAPRAPEKYXFA-IAGOWNOFSA-N 1 2 327.472 3.638 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684036789 1019909615 /nfs/dbraw/zinc/90/96/15/1019909615.db2.gz PBVOOIXAOUCSTK-UHFFFAOYSA-N 1 2 346.519 3.791 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3ccc(F)cc3)CCC2)c1C ZINC000050448455 1019927009 /nfs/dbraw/zinc/92/70/09/1019927009.db2.gz DMIXQDJUWGTLLZ-UHFFFAOYSA-N 1 2 342.414 3.584 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc(C)cc2C)c1C ZINC000050448639 1019927075 /nfs/dbraw/zinc/92/70/75/1019927075.db2.gz YWAUDDISCFXMRI-UHFFFAOYSA-N 1 2 326.440 3.573 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(C)s1)Cc1ccccc1Cl ZINC000549943574 1019943682 /nfs/dbraw/zinc/94/36/82/1019943682.db2.gz HGXHNBBMGZSUQP-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(C)s1)Cc1ccccc1Cl ZINC000549943574 1019943690 /nfs/dbraw/zinc/94/36/90/1019943690.db2.gz HGXHNBBMGZSUQP-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)s1 ZINC000345138638 1019967456 /nfs/dbraw/zinc/96/74/56/1019967456.db2.gz YHNSPNIDWCPTGI-INIZCTEOSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)s1 ZINC000345138638 1019967465 /nfs/dbraw/zinc/96/74/65/1019967465.db2.gz YHNSPNIDWCPTGI-INIZCTEOSA-N 1 2 347.459 3.526 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160622059 1019981625 /nfs/dbraw/zinc/98/16/25/1019981625.db2.gz LPGRGCBYEWGKCY-UKRRQHHQSA-N 1 2 331.464 3.589 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1noc(Cc2ccccc2)n1 ZINC000580761807 1019991246 /nfs/dbraw/zinc/99/12/46/1019991246.db2.gz JUEWBMWLEHUNKP-WBVHZDCISA-N 1 2 341.455 3.803 20 0 EHADLO C(OC1CC[NH+](Cc2nnc(C3CC3)s2)CC1)C1CCCCC1 ZINC000574268854 1032871875 /nfs/dbraw/zinc/87/18/75/1032871875.db2.gz XGHSSSSYSFKDGO-UHFFFAOYSA-N 1 2 335.517 3.977 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc[nH]c2C2CCC2)c1C ZINC000345183330 1020034240 /nfs/dbraw/zinc/03/42/40/1020034240.db2.gz FQUHAVDNEOMDNV-UHFFFAOYSA-N 1 2 327.428 3.575 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000050513335 1020038629 /nfs/dbraw/zinc/03/86/29/1020038629.db2.gz WCOAZPCTXJBYDH-UHFFFAOYSA-N 1 2 343.402 3.533 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684071762 1020052428 /nfs/dbraw/zinc/05/24/28/1020052428.db2.gz CHALDZKCOKMVJN-CQSZACIVSA-N 1 2 341.798 3.510 20 0 EHADLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C2CCCCC2)n1 ZINC000580815458 1020057190 /nfs/dbraw/zinc/05/71/90/1020057190.db2.gz DXGMUEVVOAARDW-UHFFFAOYSA-N 1 2 349.438 3.906 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)c1 ZINC000469122876 1020089982 /nfs/dbraw/zinc/08/99/82/1020089982.db2.gz ZEYLWXPSDWETTQ-HNNXBMFYSA-N 1 2 344.499 3.583 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000163126117 1020099596 /nfs/dbraw/zinc/09/95/96/1020099596.db2.gz LLRIQIQSXKYUFO-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000163126117 1020099611 /nfs/dbraw/zinc/09/96/11/1020099611.db2.gz LLRIQIQSXKYUFO-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1noc([C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000345307675 1020144945 /nfs/dbraw/zinc/14/49/45/1020144945.db2.gz RYBDMXBVHVKGOI-ZBEGNZNMSA-N 1 2 335.835 3.850 20 0 EHADLO Cc1nc(Cl)sc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754575613 1020163096 /nfs/dbraw/zinc/16/30/96/1020163096.db2.gz VPDSQQLEZBDDQN-UHFFFAOYSA-N 1 2 333.800 3.648 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000280230116 1020214103 /nfs/dbraw/zinc/21/41/03/1020214103.db2.gz MEPBXVRQIMQRSM-UHFFFAOYSA-N 1 2 339.443 3.688 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834676750 1020244100 /nfs/dbraw/zinc/24/41/00/1020244100.db2.gz ZGPFUKUGDQKZSJ-RKDXNWHRSA-N 1 2 347.303 3.660 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345445494 1020259249 /nfs/dbraw/zinc/25/92/49/1020259249.db2.gz KNPIYHUCKVZIFJ-SFHVURJKSA-N 1 2 341.499 3.896 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc(Br)ccc2F)o1 ZINC000449615653 1032889532 /nfs/dbraw/zinc/88/95/32/1032889532.db2.gz ZLDBVUWCUYHSNQ-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO C[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccsc1 ZINC000345482361 1020293283 /nfs/dbraw/zinc/29/32/83/1020293283.db2.gz JVGLLHIWKWXKAH-AWEZNQCLSA-N 1 2 343.496 3.791 20 0 EHADLO COC(=O)c1c(Cl)cc(Cl)nc1Nc1c[nH+]cc(C)c1C ZINC001213525079 1020297181 /nfs/dbraw/zinc/29/71/81/1020297181.db2.gz NBYVAQRDKYLONW-UHFFFAOYSA-N 1 2 326.183 3.930 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cnn(C2CCC2)c1 ZINC001125480339 1020299894 /nfs/dbraw/zinc/29/98/94/1020299894.db2.gz IFUQZODJJYIEGQ-UHFFFAOYSA-N 1 2 341.802 3.700 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000280365068 1020324605 /nfs/dbraw/zinc/32/46/05/1020324605.db2.gz DBTVJWWULPSUJC-GFCCVEGCSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000280365068 1020324610 /nfs/dbraw/zinc/32/46/10/1020324610.db2.gz DBTVJWWULPSUJC-GFCCVEGCSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000093303346 1032893836 /nfs/dbraw/zinc/89/38/36/1032893836.db2.gz AHPJJVLXWCSRDV-MRXNPFEDSA-N 1 2 337.423 3.510 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000093303346 1032893851 /nfs/dbraw/zinc/89/38/51/1032893851.db2.gz AHPJJVLXWCSRDV-MRXNPFEDSA-N 1 2 337.423 3.510 20 0 EHADLO CC(C)n1cnnc1C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000581008165 1020353646 /nfs/dbraw/zinc/35/36/46/1020353646.db2.gz ATTIKCYISPXGQK-UHFFFAOYSA-N 1 2 339.418 3.930 20 0 EHADLO C[C@@H](CC(=O)NC1CCC(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000581015683 1020356571 /nfs/dbraw/zinc/35/65/71/1020356571.db2.gz ZODSNTJQDHOYDW-NXVRBGIVSA-N 1 2 329.419 3.816 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(-c3ccccc3)nc1)CCO2 ZINC000581027688 1020363475 /nfs/dbraw/zinc/36/34/75/1020363475.db2.gz LYWVOWFQAHTQMU-UHFFFAOYSA-N 1 2 331.419 3.847 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(-c3ccccc3)nc1)CCO2 ZINC000581027688 1020363485 /nfs/dbraw/zinc/36/34/85/1020363485.db2.gz LYWVOWFQAHTQMU-UHFFFAOYSA-N 1 2 331.419 3.847 20 0 EHADLO CCC[C@]1(CO)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000581035181 1020370083 /nfs/dbraw/zinc/37/00/83/1020370083.db2.gz LNSJFUNJJXILFE-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@]1(CO)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000581035181 1020370092 /nfs/dbraw/zinc/37/00/92/1020370092.db2.gz LNSJFUNJJXILFE-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO F[C@@H]1CCC[C@H](c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)C1 ZINC000581067421 1020397076 /nfs/dbraw/zinc/39/70/76/1020397076.db2.gz LQHWBWLYDWUZCT-GOEBONIOSA-N 1 2 345.418 3.565 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933088332 1020436410 /nfs/dbraw/zinc/43/64/10/1020436410.db2.gz KUBWHZIMSRTMOW-GFCCVEGCSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933088332 1020436415 /nfs/dbraw/zinc/43/64/15/1020436415.db2.gz KUBWHZIMSRTMOW-GFCCVEGCSA-N 1 2 345.306 3.544 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000048272911 1020486680 /nfs/dbraw/zinc/48/66/80/1020486680.db2.gz YEPBPKJBKZDPAN-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000048272911 1020486687 /nfs/dbraw/zinc/48/66/87/1020486687.db2.gz YEPBPKJBKZDPAN-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001203411153 1032907763 /nfs/dbraw/zinc/90/77/63/1032907763.db2.gz QHNCGYNPVXLJBE-IAQYHMDHSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001203411153 1032907780 /nfs/dbraw/zinc/90/77/80/1032907780.db2.gz QHNCGYNPVXLJBE-IAQYHMDHSA-N 1 2 340.826 3.530 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000280633010 1020541068 /nfs/dbraw/zinc/54/10/68/1020541068.db2.gz QPZFSRZUKKBGJX-ZDUSSCGKSA-N 1 2 331.847 3.758 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C34CCC(CC3)C4)n2)C1 ZINC000345842104 1020549446 /nfs/dbraw/zinc/54/94/46/1020549446.db2.gz VUNNXQCNYFHAHS-VNSJNIRKSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C34CCC(CC3)C4)n2)C1 ZINC000345842104 1020549455 /nfs/dbraw/zinc/54/94/55/1020549455.db2.gz VUNNXQCNYFHAHS-VNSJNIRKSA-N 1 2 333.501 3.894 20 0 EHADLO CC1=CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000280674673 1020563444 /nfs/dbraw/zinc/56/34/44/1020563444.db2.gz QDASSKAPKDDASW-CYBMUJFWSA-N 1 2 334.489 3.559 20 0 EHADLO CC1=CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000280674673 1020563452 /nfs/dbraw/zinc/56/34/52/1020563452.db2.gz QDASSKAPKDDASW-CYBMUJFWSA-N 1 2 334.489 3.559 20 0 EHADLO CC(C)([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000175989757 1020584510 /nfs/dbraw/zinc/58/45/10/1020584510.db2.gz WBVBDOPYVKYSDZ-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000280728127 1020615302 /nfs/dbraw/zinc/61/53/02/1020615302.db2.gz CTWOGKJRUWDIIZ-QGZVFWFLSA-N 1 2 331.485 3.672 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000280728127 1020615306 /nfs/dbraw/zinc/61/53/06/1020615306.db2.gz CTWOGKJRUWDIIZ-QGZVFWFLSA-N 1 2 331.485 3.672 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000345935766 1020623311 /nfs/dbraw/zinc/62/33/11/1020623311.db2.gz DYMVWWGOHAXCNJ-DNVCBOLYSA-N 1 2 334.423 3.602 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000050923116 1020711745 /nfs/dbraw/zinc/71/17/45/1020711745.db2.gz WEBITGZAPONOBE-QGZVFWFLSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000050923116 1020711753 /nfs/dbraw/zinc/71/17/53/1020711753.db2.gz WEBITGZAPONOBE-QGZVFWFLSA-N 1 2 342.512 3.970 20 0 EHADLO CC(C)(C)OCCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209144 1020750457 /nfs/dbraw/zinc/75/04/57/1020750457.db2.gz ZKSPIJPFFHVNGY-UHFFFAOYSA-N 1 2 342.277 3.849 20 0 EHADLO CC(C)(C)OCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209144 1020750463 /nfs/dbraw/zinc/75/04/63/1020750463.db2.gz ZKSPIJPFFHVNGY-UHFFFAOYSA-N 1 2 342.277 3.849 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000160878712 1020764565 /nfs/dbraw/zinc/76/45/65/1020764565.db2.gz BRUXYMTXGZRLTE-UHFFFAOYSA-N 1 2 337.826 3.623 20 0 EHADLO Fc1ccccc1[C@@]1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000581382130 1020772073 /nfs/dbraw/zinc/77/20/73/1020772073.db2.gz YHBWIWJMKFJBHH-LJQANCHMSA-N 1 2 344.409 3.681 20 0 EHADLO Fc1ccccc1[C@@]1(F)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000581382130 1020772081 /nfs/dbraw/zinc/77/20/81/1020772081.db2.gz YHBWIWJMKFJBHH-LJQANCHMSA-N 1 2 344.409 3.681 20 0 EHADLO COc1nccc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)n1 ZINC001167456805 1020773404 /nfs/dbraw/zinc/77/34/04/1020773404.db2.gz MJXLWXDIWHYMFS-UHFFFAOYSA-N 1 2 337.408 3.675 20 0 EHADLO CCc1ccc2c(c1)CCN2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000891385270 1020839822 /nfs/dbraw/zinc/83/98/22/1020839822.db2.gz YQSNQBUCDJALFV-OAHLLOKOSA-N 1 2 337.345 3.528 20 0 EHADLO Brc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)[nH]1 ZINC001232684844 1032939705 /nfs/dbraw/zinc/93/97/05/1032939705.db2.gz ZGRBRLWAEZTCSZ-UHFFFAOYSA-N 1 2 335.245 3.821 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)cc1OCC ZINC000341068072 1020949866 /nfs/dbraw/zinc/94/98/66/1020949866.db2.gz BCHMTXRUHMKPDW-OLZOCXBDSA-N 1 2 333.432 3.841 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)n1C ZINC000341143282 1021006342 /nfs/dbraw/zinc/00/63/42/1021006342.db2.gz HTZUZGSJVFMBOV-UHFFFAOYSA-N 1 2 344.802 3.839 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000656637608 1021069542 /nfs/dbraw/zinc/06/95/42/1021069542.db2.gz MSXHFCKFXBMOSY-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO CCCN(CCC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176003305 1021099077 /nfs/dbraw/zinc/09/90/77/1021099077.db2.gz FVNJXEQRVNXBTN-UHFFFAOYSA-N 1 2 346.519 3.553 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)[C@@H]1OCCc2sccc21 ZINC000581584414 1021113857 /nfs/dbraw/zinc/11/38/57/1021113857.db2.gz WRJIOUHJYWZFJR-SUNKGSAMSA-N 1 2 335.473 3.782 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cc(C)oc3C)o2)c1 ZINC000341220480 1021121260 /nfs/dbraw/zinc/12/12/60/1021121260.db2.gz NMMHIGHGHKGIGK-GFCCVEGCSA-N 1 2 327.384 3.806 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C=CCCC2)C[C@@H](C)O1 ZINC000246487306 1021125087 /nfs/dbraw/zinc/12/50/87/1021125087.db2.gz ICIIBXRMNFTQBC-JFIYKMOQSA-N 1 2 343.471 3.526 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCCCS2)c(C)c1 ZINC000341231833 1021138610 /nfs/dbraw/zinc/13/86/10/1021138610.db2.gz WIWLXLSEIUKILA-ROUUACIJSA-N 1 2 343.496 3.643 20 0 EHADLO CSc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000341234316 1021144743 /nfs/dbraw/zinc/14/47/43/1021144743.db2.gz DOBFTSKVLDZBNT-UHFFFAOYSA-N 1 2 343.496 3.938 20 0 EHADLO FC(F)(F)CC1C[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000656686474 1021167349 /nfs/dbraw/zinc/16/73/49/1021167349.db2.gz OKAPBNMYSFGNIF-UHFFFAOYSA-N 1 2 329.753 3.910 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000518445638 1021185630 /nfs/dbraw/zinc/18/56/30/1021185630.db2.gz TZGJRFYFZCEORR-GOSISDBHSA-N 1 2 334.423 3.963 20 0 EHADLO CCOc1cc(C[NH2+]C(C)(C)c2nc(C)no2)ccc1OCC(C)C ZINC000341256010 1021205733 /nfs/dbraw/zinc/20/57/33/1021205733.db2.gz RYGCQWWCIFIHBB-UHFFFAOYSA-N 1 2 347.459 3.836 20 0 EHADLO c1cn(Cc2ccccc2)nc1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000341256605 1021212133 /nfs/dbraw/zinc/21/21/33/1021212133.db2.gz TYDLOWWMAJOYRR-UHFFFAOYSA-N 1 2 343.434 3.611 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000516253184 1021233701 /nfs/dbraw/zinc/23/37/01/1021233701.db2.gz UNWWIYPKVROZBQ-VQTJNVASSA-N 1 2 347.462 3.980 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H]3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000516253182 1021234060 /nfs/dbraw/zinc/23/40/60/1021234060.db2.gz UNWWIYPKVROZBQ-PMACEKPBSA-N 1 2 347.462 3.980 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000656768103 1021305059 /nfs/dbraw/zinc/30/50/59/1021305059.db2.gz SJCIZUYCLAJUKU-UHFFFAOYSA-N 1 2 329.835 3.840 20 0 EHADLO COC[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000439283279 1021319180 /nfs/dbraw/zinc/31/91/80/1021319180.db2.gz JDZLBKMWBUWUIY-NWDGAFQWSA-N 1 2 325.861 3.790 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000439283279 1021319197 /nfs/dbraw/zinc/31/91/97/1021319197.db2.gz JDZLBKMWBUWUIY-NWDGAFQWSA-N 1 2 325.861 3.790 20 0 EHADLO COCCOCc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC000656776920 1021327391 /nfs/dbraw/zinc/32/73/91/1021327391.db2.gz VKKVHQMJWXEFKF-UHFFFAOYSA-N 1 2 326.440 3.736 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1sccc1Cl ZINC000507545861 1021347856 /nfs/dbraw/zinc/34/78/56/1021347856.db2.gz FMXICKWKCGMVOY-UHFFFAOYSA-N 1 2 347.827 3.929 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000341294293 1021366394 /nfs/dbraw/zinc/36/63/94/1021366394.db2.gz RRLXQLGFGFYQRZ-RYUDHWBXSA-N 1 2 346.377 3.845 20 0 EHADLO COC(=O)c1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1F ZINC000326236750 1021369255 /nfs/dbraw/zinc/36/92/55/1021369255.db2.gz ZQJAFFXXZSMPBX-UHFFFAOYSA-N 1 2 328.387 3.825 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000684373905 1021401929 /nfs/dbraw/zinc/40/19/29/1021401929.db2.gz DVPRQPZBBHZDTB-UHFFFAOYSA-N 1 2 343.374 3.646 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1 ZINC000507671028 1021426785 /nfs/dbraw/zinc/42/67/85/1021426785.db2.gz XQNOCKUSIAHDOK-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1 ZINC000507671028 1021426788 /nfs/dbraw/zinc/42/67/88/1021426788.db2.gz XQNOCKUSIAHDOK-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000507705223 1021460794 /nfs/dbraw/zinc/46/07/94/1021460794.db2.gz UBYYOJGYWKNDEQ-CQSZACIVSA-N 1 2 334.385 3.983 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)CCOc2c(Cl)cccc2Cl)n1 ZINC000516488615 1021483509 /nfs/dbraw/zinc/48/35/09/1021483509.db2.gz YZIDARZMBUBKLD-VIFPVBQESA-N 1 2 330.215 3.757 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)CCOc2c(Cl)cccc2Cl)n1 ZINC000516488615 1021483515 /nfs/dbraw/zinc/48/35/15/1021483515.db2.gz YZIDARZMBUBKLD-VIFPVBQESA-N 1 2 330.215 3.757 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)c1cncnc1)CCO2 ZINC000437056299 1021512301 /nfs/dbraw/zinc/51/23/01/1021512301.db2.gz QCCOXQYSJYMNRA-ICSRJNTNSA-N 1 2 335.382 3.819 20 0 EHADLO CC(C)[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656709 1032985175 /nfs/dbraw/zinc/98/51/75/1032985175.db2.gz MAEXFPWZIFKRAD-CVEARBPZSA-N 1 2 330.463 3.590 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000516534697 1021523037 /nfs/dbraw/zinc/52/30/37/1021523037.db2.gz NGUXEDAMIDAQDY-INIZCTEOSA-N 1 2 347.528 3.778 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000516534697 1021523041 /nfs/dbraw/zinc/52/30/41/1021523041.db2.gz NGUXEDAMIDAQDY-INIZCTEOSA-N 1 2 347.528 3.778 20 0 EHADLO Cc1nc2ccc(C[NH+]3CCN([C@H](C)C(F)(F)F)CC3)cc2s1 ZINC000426418410 1021533685 /nfs/dbraw/zinc/53/36/85/1021533685.db2.gz GWVRVXFPIJMGDO-LLVKDONJSA-N 1 2 343.418 3.673 20 0 EHADLO Cn1c[nH+]cc1COc1ccc(Br)cc1Br ZINC000439555083 1021540713 /nfs/dbraw/zinc/54/07/13/1021540713.db2.gz ZRALAJRFAKUSFZ-UHFFFAOYSA-N 1 2 346.022 3.524 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c(C)c1 ZINC000437092042 1021546947 /nfs/dbraw/zinc/54/69/47/1021546947.db2.gz DXPDGORTVSXEOZ-INIZCTEOSA-N 1 2 338.430 3.933 20 0 EHADLO COc1cc2c(cc1C[NH2+]C1(c3nc(C)cs3)CCC1)O[C@H](C)C2 ZINC000518784322 1021572156 /nfs/dbraw/zinc/57/21/56/1021572156.db2.gz HZPQAERXFUGSNR-CYBMUJFWSA-N 1 2 344.480 3.953 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2cc3cnccc3o2)[C@H]1C(=O)OC(C)(C)C ZINC000593638883 1032994966 /nfs/dbraw/zinc/99/49/66/1032994966.db2.gz OUCWIBGGCWEYBV-CXAGYDPISA-N 1 2 330.428 3.770 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)[C@H]1C(=O)OC(C)(C)C ZINC000593638883 1032994983 /nfs/dbraw/zinc/99/49/83/1032994983.db2.gz OUCWIBGGCWEYBV-CXAGYDPISA-N 1 2 330.428 3.770 20 0 EHADLO C[C@H](N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1(C)CC1 ZINC000437199337 1021635336 /nfs/dbraw/zinc/63/53/36/1021635336.db2.gz QMMACUWKJRMGIR-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)(C)C)c(C)c1 ZINC000440799804 1021774465 /nfs/dbraw/zinc/77/44/65/1021774465.db2.gz CZOUYLSSMXUZAY-SFHVURJKSA-N 1 2 342.487 3.977 20 0 EHADLO Cc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000341416028 1021798471 /nfs/dbraw/zinc/79/84/71/1021798471.db2.gz ZFJNFJBHAJMQSU-MGPUTAFESA-N 1 2 343.471 3.611 20 0 EHADLO CCOC(=O)c1c(C2CC2)csc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000516972713 1021904303 /nfs/dbraw/zinc/90/43/03/1021904303.db2.gz HVZVMTDQNVHVPP-LLVKDONJSA-N 1 2 347.440 3.589 20 0 EHADLO Cc1cc(NC(=O)CCCOc2cccc(Cl)c2Cl)cc[nH+]1 ZINC000519195297 1021917605 /nfs/dbraw/zinc/91/76/05/1021917605.db2.gz UBQGGNSJJUJBGN-UHFFFAOYSA-N 1 2 339.222 3.916 20 0 EHADLO C[C@@H]1SCC[N@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000135401427 1123608673 /nfs/dbraw/zinc/60/86/73/1123608673.db2.gz RHXFCJFZONKSLL-QWRGUYRKSA-N 1 2 347.265 3.617 20 0 EHADLO C[C@@H]1SCC[N@@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000135401427 1123608677 /nfs/dbraw/zinc/60/86/77/1123608677.db2.gz RHXFCJFZONKSLL-QWRGUYRKSA-N 1 2 347.265 3.617 20 0 EHADLO Cc1nnc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)s1 ZINC000341454280 1021937389 /nfs/dbraw/zinc/93/73/89/1021937389.db2.gz KHCLHVBBCQFHOS-MRXNPFEDSA-N 1 2 343.427 3.896 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000519234527 1021952303 /nfs/dbraw/zinc/95/23/03/1021952303.db2.gz DOVBCLWEEFUSMT-KRWDZBQOSA-N 1 2 333.435 3.660 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000341474924 1022006710 /nfs/dbraw/zinc/00/67/10/1022006710.db2.gz SYDQEMFQTFEKBS-LLVKDONJSA-N 1 2 335.448 3.740 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341492693 1022029529 /nfs/dbraw/zinc/02/95/29/1022029529.db2.gz DXKNGTGBXXUPOV-ZDUSSCGKSA-N 1 2 327.428 3.583 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C[C@H]1COc2ccccc2O1 ZINC000506095989 1022033745 /nfs/dbraw/zinc/03/37/45/1022033745.db2.gz PURPWVICDAXCFK-AWEZNQCLSA-N 1 2 330.428 3.634 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)C[C@H]1COc2ccccc2O1 ZINC000506095989 1022033761 /nfs/dbraw/zinc/03/37/61/1022033761.db2.gz PURPWVICDAXCFK-AWEZNQCLSA-N 1 2 330.428 3.634 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cscn2)c2ccccc21 ZINC000593690615 1033024940 /nfs/dbraw/zinc/02/49/40/1033024940.db2.gz LVWBPQLYYJBXBR-HOTGVXAUSA-N 1 2 330.453 3.803 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000581881725 1022042198 /nfs/dbraw/zinc/04/21/98/1022042198.db2.gz FWZQESPWASYWQW-IBGZPJMESA-N 1 2 347.466 3.863 20 0 EHADLO Cc1cnc(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000581881725 1022042212 /nfs/dbraw/zinc/04/22/12/1022042212.db2.gz FWZQESPWASYWQW-IBGZPJMESA-N 1 2 347.466 3.863 20 0 EHADLO CCOc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341504029 1022044594 /nfs/dbraw/zinc/04/45/94/1022044594.db2.gz QJHGTBHQFUXMTN-CYBMUJFWSA-N 1 2 327.428 3.665 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2cscn2)c2ccccc21 ZINC000593690614 1033025706 /nfs/dbraw/zinc/02/57/06/1033025706.db2.gz LVWBPQLYYJBXBR-CVEARBPZSA-N 1 2 330.453 3.803 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000276645800 1022046616 /nfs/dbraw/zinc/04/66/16/1022046616.db2.gz VXAPAOXOHATYHZ-UHFFFAOYSA-N 1 2 347.409 3.602 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341522391 1022058528 /nfs/dbraw/zinc/05/85/28/1022058528.db2.gz ZAAILOLIJKFCNQ-GOSISDBHSA-N 1 2 333.391 3.773 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)n1 ZINC000925023858 1022081681 /nfs/dbraw/zinc/08/16/81/1022081681.db2.gz PUTPHIUSABYOGO-CABCVRRESA-N 1 2 345.491 3.666 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000891638904 1022185629 /nfs/dbraw/zinc/18/56/29/1022185629.db2.gz NVEGOJSPRUOJEQ-UHFFFAOYSA-N 1 2 333.457 3.582 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000891638904 1022185652 /nfs/dbraw/zinc/18/56/52/1022185652.db2.gz NVEGOJSPRUOJEQ-UHFFFAOYSA-N 1 2 333.457 3.582 20 0 EHADLO C[C@H](CCNc1[nH+]cnc2c1cnn2C)c1cccc(C(F)(F)F)c1 ZINC000506145909 1022196206 /nfs/dbraw/zinc/19/62/06/1022196206.db2.gz WXDOKVAJSXKOMP-LLVKDONJSA-N 1 2 349.360 3.988 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000520389947 1022199231 /nfs/dbraw/zinc/19/92/31/1022199231.db2.gz ZFKQKPOCGXVWCT-TZMCWYRMSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000520389947 1022199239 /nfs/dbraw/zinc/19/92/39/1022199239.db2.gz ZFKQKPOCGXVWCT-TZMCWYRMSA-N 1 2 339.357 3.537 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000548307543 1022212131 /nfs/dbraw/zinc/21/21/31/1022212131.db2.gz AIEDROZXYYWRMM-ISVAXAHUSA-N 1 2 342.390 3.989 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000016563956 1022221842 /nfs/dbraw/zinc/22/18/42/1022221842.db2.gz YLEFUEKVPGNDMH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000016563956 1022221848 /nfs/dbraw/zinc/22/18/48/1022221848.db2.gz YLEFUEKVPGNDMH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccs1 ZINC000016586804 1022224208 /nfs/dbraw/zinc/22/42/08/1022224208.db2.gz GQRAOBOCXZKQII-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccs1 ZINC000016586804 1022224221 /nfs/dbraw/zinc/22/42/21/1022224221.db2.gz GQRAOBOCXZKQII-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCc1cccc(-c2ccccc2)c1 ZINC000506156297 1022233429 /nfs/dbraw/zinc/23/34/29/1022233429.db2.gz QITGMMNORDCXEF-UHFFFAOYSA-N 1 2 329.407 3.685 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143568286 1022313121 /nfs/dbraw/zinc/31/31/21/1022313121.db2.gz ROTNJOMAYGMZGD-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143568286 1022313137 /nfs/dbraw/zinc/31/31/37/1022313137.db2.gz ROTNJOMAYGMZGD-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000458876748 1022324342 /nfs/dbraw/zinc/32/43/42/1022324342.db2.gz GLXZWJGNTDEUNC-GUYCJALGSA-N 1 2 342.418 3.515 20 0 EHADLO CCc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)nnc1-c1ccccc1 ZINC001167993263 1022349830 /nfs/dbraw/zinc/34/98/30/1022349830.db2.gz PGMQNLXOVHUYOY-UHFFFAOYSA-N 1 2 335.386 3.877 20 0 EHADLO Cc1cn([C@@H](C)c2ccccc2)nc1NCc1c[nH+]c2ccc(C)cn12 ZINC000471813979 1022367319 /nfs/dbraw/zinc/36/73/19/1022367319.db2.gz ADCGWLONPWNPLV-KRWDZBQOSA-N 1 2 345.450 3.791 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528905982 1033049191 /nfs/dbraw/zinc/04/91/91/1033049191.db2.gz WWBZSDPQKSMWRH-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528905982 1033049200 /nfs/dbraw/zinc/04/92/00/1033049200.db2.gz WWBZSDPQKSMWRH-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000276719605 1022404964 /nfs/dbraw/zinc/40/49/64/1022404964.db2.gz FEKCKBMCRQAJAG-INIZCTEOSA-N 1 2 349.438 3.512 20 0 EHADLO c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000276719605 1022404971 /nfs/dbraw/zinc/40/49/71/1022404971.db2.gz FEKCKBMCRQAJAG-INIZCTEOSA-N 1 2 349.438 3.512 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2ccc(Br)c(F)c2)C1 ZINC000668513216 1022456040 /nfs/dbraw/zinc/45/60/40/1022456040.db2.gz FGDQFHGCYOBNLY-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 ZINC000111273105 1022460053 /nfs/dbraw/zinc/46/00/53/1022460053.db2.gz MOQQGVQATOUMSD-OXJNMPFZSA-N 1 2 338.451 3.938 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 ZINC000111273105 1022460062 /nfs/dbraw/zinc/46/00/62/1022460062.db2.gz MOQQGVQATOUMSD-OXJNMPFZSA-N 1 2 338.451 3.938 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1cccc(Cl)c1 ZINC000894528392 1022484307 /nfs/dbraw/zinc/48/43/07/1022484307.db2.gz SSAJDTNEPWZQPS-CYBMUJFWSA-N 1 2 328.243 3.513 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc(-c2ccccc2)nc1 ZINC000548359353 1022491506 /nfs/dbraw/zinc/49/15/06/1022491506.db2.gz SAIANNOHWJDABV-UHFFFAOYSA-N 1 2 347.397 3.686 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000891738571 1022493588 /nfs/dbraw/zinc/49/35/88/1022493588.db2.gz JFKMYZWYSZPGMH-LJQANCHMSA-N 1 2 335.455 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000891738571 1022493600 /nfs/dbraw/zinc/49/36/00/1022493600.db2.gz JFKMYZWYSZPGMH-LJQANCHMSA-N 1 2 335.455 3.832 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000517628336 1022499501 /nfs/dbraw/zinc/49/95/01/1022499501.db2.gz CZPGCAFJPYHABB-HNNXBMFYSA-N 1 2 345.462 3.990 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)C2CC2)o1 ZINC000086234076 1022503197 /nfs/dbraw/zinc/50/31/97/1022503197.db2.gz CHZXHZWFJFJSDG-HNNXBMFYSA-N 1 2 342.439 3.898 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)C2CC2)o1 ZINC000086234076 1022503209 /nfs/dbraw/zinc/50/32/09/1022503209.db2.gz CHZXHZWFJFJSDG-HNNXBMFYSA-N 1 2 342.439 3.898 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@@H]1CCSC1 ZINC000425975663 1022534513 /nfs/dbraw/zinc/53/45/13/1022534513.db2.gz FSQPNBZKLWBVOZ-KXBFYZLASA-N 1 2 343.492 3.657 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@H]1CCSC1 ZINC000425975655 1022535014 /nfs/dbraw/zinc/53/50/14/1022535014.db2.gz FSQPNBZKLWBVOZ-BEFAXECRSA-N 1 2 343.492 3.657 20 0 EHADLO CCOc1ccc(OC)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438318537 1022557848 /nfs/dbraw/zinc/55/78/48/1022557848.db2.gz LJBVICGBZGTSSP-UHFFFAOYSA-N 1 2 337.423 3.951 20 0 EHADLO CCCNC(=O)c1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438318272 1022559361 /nfs/dbraw/zinc/55/93/61/1022559361.db2.gz SWUUHRWPLYGXFJ-UHFFFAOYSA-N 1 2 348.450 3.683 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCc2ncsc2C1 ZINC000438364325 1022593278 /nfs/dbraw/zinc/59/32/78/1022593278.db2.gz JWZDGRYFQBOKEP-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCc2ncsc2C1 ZINC000438364325 1022593289 /nfs/dbraw/zinc/59/32/89/1022593289.db2.gz JWZDGRYFQBOKEP-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000510514734 1022620421 /nfs/dbraw/zinc/62/04/21/1022620421.db2.gz NVSZBKZRZWAMLX-WGSAOQKQSA-N 1 2 344.499 3.920 20 0 EHADLO CCC(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042954974 1022627860 /nfs/dbraw/zinc/62/78/60/1022627860.db2.gz RZSNAKJMPYUFEH-HUUCEWRRSA-N 1 2 333.476 3.606 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000894628283 1022640638 /nfs/dbraw/zinc/64/06/38/1022640638.db2.gz DSGDQRYAQXNYND-UHFFFAOYSA-N 1 2 337.288 3.723 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC=CCC3)n2)O1 ZINC000665004675 1022644285 /nfs/dbraw/zinc/64/42/85/1022644285.db2.gz JFJYAMPOGRVYNL-KBAYOESNSA-N 1 2 339.439 3.855 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC=CCC3)n2)O1 ZINC000665004675 1022644293 /nfs/dbraw/zinc/64/42/93/1022644293.db2.gz JFJYAMPOGRVYNL-KBAYOESNSA-N 1 2 339.439 3.855 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000430767908 1022670374 /nfs/dbraw/zinc/67/03/74/1022670374.db2.gz KACSPUFZBUFFHX-INIZCTEOSA-N 1 2 349.434 3.664 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000430767908 1022670378 /nfs/dbraw/zinc/67/03/78/1022670378.db2.gz KACSPUFZBUFFHX-INIZCTEOSA-N 1 2 349.434 3.664 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC1CC1)c1nnc2n1CCC2 ZINC000430778668 1022686281 /nfs/dbraw/zinc/68/62/81/1022686281.db2.gz ULFJHVFWDJOZFW-GFCCVEGCSA-N 1 2 346.862 3.517 20 0 EHADLO COc1ccc2ccccc2c1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000506247825 1022705166 /nfs/dbraw/zinc/70/51/66/1022705166.db2.gz UBWDGAFBMDYDHD-UHFFFAOYSA-N 1 2 338.373 3.528 20 0 EHADLO Fc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1C(F)F ZINC000891782821 1022713792 /nfs/dbraw/zinc/71/37/92/1022713792.db2.gz VIZDSRRWOIQWPS-UHFFFAOYSA-N 1 2 341.402 3.538 20 0 EHADLO CC(C)(C)n1nnnc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000330924437 1022719267 /nfs/dbraw/zinc/71/92/67/1022719267.db2.gz FPBRZXRKNAACCN-UHFFFAOYSA-N 1 2 342.274 3.760 20 0 EHADLO COCc1cccc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000322787923 1022741304 /nfs/dbraw/zinc/74/13/04/1022741304.db2.gz LCSCVZZRVITQEM-UHFFFAOYSA-N 1 2 336.233 3.614 20 0 EHADLO CC[C@H](Nc1nc(C)[nH+]c(C)c1Br)c1nccs1 ZINC000322787465 1022741655 /nfs/dbraw/zinc/74/16/55/1022741655.db2.gz KXHAQJJMPQLRTK-VIFPVBQESA-N 1 2 327.251 3.876 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000684516355 1022790491 /nfs/dbraw/zinc/79/04/91/1022790491.db2.gz KDRNMEBRRHLIAT-INIZCTEOSA-N 1 2 343.858 3.505 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CCC1(F)F ZINC000519568803 1022795349 /nfs/dbraw/zinc/79/53/49/1022795349.db2.gz LXBKYCWHWZKUQI-VIFPVBQESA-N 1 2 344.203 3.803 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CCC1(F)F ZINC000519568803 1022795358 /nfs/dbraw/zinc/79/53/58/1022795358.db2.gz LXBKYCWHWZKUQI-VIFPVBQESA-N 1 2 344.203 3.803 20 0 EHADLO Cc1cccc([C@H](C)[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000441439291 1022797102 /nfs/dbraw/zinc/79/71/02/1022797102.db2.gz VFCRKQXKHIHHQG-INIZCTEOSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1cccc([C@H](C)[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000441439291 1022797110 /nfs/dbraw/zinc/79/71/10/1022797110.db2.gz VFCRKQXKHIHHQG-INIZCTEOSA-N 1 2 326.415 3.540 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729469241 1022811393 /nfs/dbraw/zinc/81/13/93/1022811393.db2.gz LJTNUMYAQYGKQJ-CYBMUJFWSA-N 1 2 346.789 3.834 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729469241 1022811409 /nfs/dbraw/zinc/81/14/09/1022811409.db2.gz LJTNUMYAQYGKQJ-CYBMUJFWSA-N 1 2 346.789 3.834 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000438596333 1022835478 /nfs/dbraw/zinc/83/54/78/1022835478.db2.gz ILLRSTTXVKUFDS-AWEZNQCLSA-N 1 2 325.334 3.579 20 0 EHADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc(OCc2cccnc2)cc1 ZINC000891815903 1022902610 /nfs/dbraw/zinc/90/26/10/1022902610.db2.gz XBACTKSIVWIZCQ-HNNXBMFYSA-N 1 2 349.438 3.690 20 0 EHADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc(OCc2cccnc2)cc1 ZINC000891815903 1022902621 /nfs/dbraw/zinc/90/26/21/1022902621.db2.gz XBACTKSIVWIZCQ-HNNXBMFYSA-N 1 2 349.438 3.690 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2CC(c3ccccc3)C2)c2nnc[nH]2)cc1 ZINC000294049846 1022963212 /nfs/dbraw/zinc/96/32/12/1022963212.db2.gz GOYWUMAUKTZLTQ-ITXXBFQVSA-N 1 2 336.414 3.817 20 0 EHADLO CC(F)(F)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000346015595 1023004069 /nfs/dbraw/zinc/00/40/69/1023004069.db2.gz OGWACGJJEHBUQO-CYBMUJFWSA-N 1 2 348.796 3.605 20 0 EHADLO CC(F)(F)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000346015595 1023004079 /nfs/dbraw/zinc/00/40/79/1023004079.db2.gz OGWACGJJEHBUQO-CYBMUJFWSA-N 1 2 348.796 3.605 20 0 EHADLO CC(C)=CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430972498 1023008796 /nfs/dbraw/zinc/00/87/96/1023008796.db2.gz PZXFAJOBBYHSTF-UHFFFAOYSA-N 1 2 346.862 3.715 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000458991405 1023016584 /nfs/dbraw/zinc/01/65/84/1023016584.db2.gz VCBWIQUJDNUONR-SJORKVTESA-N 1 2 332.492 3.519 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1Cl ZINC000926254793 1023019403 /nfs/dbraw/zinc/01/94/03/1023019403.db2.gz YVFOHVCQQMUAKB-IUODEOHRSA-N 1 2 334.851 3.906 20 0 EHADLO O=C(NC1CCCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000518156229 1023053528 /nfs/dbraw/zinc/05/35/28/1023053528.db2.gz SYPVZTNKDGRFOB-UHFFFAOYSA-N 1 2 346.862 3.691 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638759369 1023076036 /nfs/dbraw/zinc/07/60/36/1023076036.db2.gz JFVFPKUYEOVBDV-FUHWJXTLSA-N 1 2 326.444 3.712 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000189673890 1023078085 /nfs/dbraw/zinc/07/80/85/1023078085.db2.gz GDDCQQSTUVFVIB-UHFFFAOYSA-N 1 2 340.254 3.770 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000506418307 1023090050 /nfs/dbraw/zinc/09/00/50/1023090050.db2.gz WTSSLOSTFHXTQA-UHFFFAOYSA-N 1 2 344.499 3.698 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](c2ccncc2)C(C)C)c1C ZINC000343279422 1023090941 /nfs/dbraw/zinc/09/09/41/1023090941.db2.gz YMUVXQVYCUJWQC-GOSISDBHSA-N 1 2 341.455 3.500 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891870492 1023156457 /nfs/dbraw/zinc/15/64/57/1023156457.db2.gz AQJQZYYHOXVUCU-LJQANCHMSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1cc(F)ncc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891870492 1023156463 /nfs/dbraw/zinc/15/64/63/1023156463.db2.gz AQJQZYYHOXVUCU-LJQANCHMSA-N 1 2 342.393 3.623 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(CC1CCCCC1)C1CC1 ZINC000507202815 1023176762 /nfs/dbraw/zinc/17/67/62/1023176762.db2.gz LCJAICVXMZJSGO-VQIMIIECSA-N 1 2 341.499 3.725 20 0 EHADLO CCc1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)s1 ZINC000507250763 1023208741 /nfs/dbraw/zinc/20/87/41/1023208741.db2.gz CNXRKNOQSFPMQC-UHFFFAOYSA-N 1 2 332.469 3.887 20 0 EHADLO CCc1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)s1 ZINC000507250763 1023208748 /nfs/dbraw/zinc/20/87/48/1023208748.db2.gz CNXRKNOQSFPMQC-UHFFFAOYSA-N 1 2 332.469 3.887 20 0 EHADLO CC(C)C1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000130907041 1023210835 /nfs/dbraw/zinc/21/08/35/1023210835.db2.gz WHUNYUBLILKYFB-UHFFFAOYSA-N 1 2 344.503 3.564 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1C ZINC000507257629 1023214405 /nfs/dbraw/zinc/21/44/05/1023214405.db2.gz AVVDZYBSAIFLNO-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1C ZINC000507257629 1023214413 /nfs/dbraw/zinc/21/44/13/1023214413.db2.gz AVVDZYBSAIFLNO-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCCc4n[nH]cc4C3)cs2)cc1 ZINC000664864265 1023226834 /nfs/dbraw/zinc/22/68/34/1023226834.db2.gz JYKUDXVAUDMTLL-UHFFFAOYSA-N 1 2 328.416 3.621 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCCc4n[nH]cc4C3)cs2)cc1 ZINC000664864265 1023226843 /nfs/dbraw/zinc/22/68/43/1023226843.db2.gz JYKUDXVAUDMTLL-UHFFFAOYSA-N 1 2 328.416 3.621 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000507279576 1023229297 /nfs/dbraw/zinc/22/92/97/1023229297.db2.gz OHPUIPFZXKYGIG-GFCCVEGCSA-N 1 2 329.271 3.730 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000507279576 1023229305 /nfs/dbraw/zinc/22/93/05/1023229305.db2.gz OHPUIPFZXKYGIG-GFCCVEGCSA-N 1 2 329.271 3.730 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000439046383 1023240415 /nfs/dbraw/zinc/24/04/15/1023240415.db2.gz XKBXWOGUFOWPGC-DYESRHJHSA-N 1 2 347.393 3.854 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)c1 ZINC000198529588 1033116574 /nfs/dbraw/zinc/11/65/74/1033116574.db2.gz DJTRKCKWKVSBNN-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)c1 ZINC000198529588 1033116583 /nfs/dbraw/zinc/11/65/83/1033116583.db2.gz DJTRKCKWKVSBNN-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000507339860 1023255385 /nfs/dbraw/zinc/25/53/85/1023255385.db2.gz NNKLIWBZFUOTRA-APWZRJJASA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000507339860 1023255395 /nfs/dbraw/zinc/25/53/95/1023255395.db2.gz NNKLIWBZFUOTRA-APWZRJJASA-N 1 2 343.398 3.538 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CC12CCCCC2 ZINC000180279167 1023263474 /nfs/dbraw/zinc/26/34/74/1023263474.db2.gz FJPYQVZESMFLLT-QGZVFWFLSA-N 1 2 342.487 3.594 20 0 EHADLO Cc1sc2nc([C@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)nc(N)c2c1C ZINC000190554128 1023266732 /nfs/dbraw/zinc/26/67/32/1023266732.db2.gz WTHXNNLIFWMGPL-NSHDSACASA-N 1 2 348.516 3.841 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCSC[C@@H]2c2ccccc2)c[nH+]1 ZINC000459085076 1023272213 /nfs/dbraw/zinc/27/22/13/1023272213.db2.gz VDTFDWYGWORMHO-GOSISDBHSA-N 1 2 341.480 3.698 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431122091 1023283767 /nfs/dbraw/zinc/28/37/67/1023283767.db2.gz YTUXTDKTWPCFRM-ATZDWAIDSA-N 1 2 345.389 3.585 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000425505496 1023299596 /nfs/dbraw/zinc/29/95/96/1023299596.db2.gz BJKLIDUVNCULIP-UHFFFAOYSA-N 1 2 348.878 3.770 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000341806382 1023344077 /nfs/dbraw/zinc/34/40/77/1023344077.db2.gz GXKDNTVTQJKMAQ-INIZCTEOSA-N 1 2 326.415 3.653 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000535664939 1023421391 /nfs/dbraw/zinc/42/13/91/1023421391.db2.gz DOGVDEQAQIOQLK-DNVCBOLYSA-N 1 2 340.471 3.772 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)csc2c1 ZINC000684570563 1023434255 /nfs/dbraw/zinc/43/42/55/1023434255.db2.gz VQGHHBCTTJVKNX-AWEZNQCLSA-N 1 2 325.437 3.884 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cnn(Cc2ccccc2)c1 ZINC000349629441 1023461579 /nfs/dbraw/zinc/46/15/79/1023461579.db2.gz JOPKSXZAGJBCCF-GFCCVEGCSA-N 1 2 332.860 3.892 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341855696 1023465683 /nfs/dbraw/zinc/46/56/83/1023465683.db2.gz UNDCFXYACDVBTL-KRWDZBQOSA-N 1 2 333.435 3.601 20 0 EHADLO c1cn(C2CC2)c(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)n1 ZINC000891939749 1023468236 /nfs/dbraw/zinc/46/82/36/1023468236.db2.gz DOKKZKIHUWELCX-UHFFFAOYSA-N 1 2 349.438 3.648 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cccc(Br)c2Cl)on1 ZINC000926576888 1033145914 /nfs/dbraw/zinc/14/59/14/1033145914.db2.gz GMTOCDYDNOOOFU-MRVPVSSYSA-N 1 2 345.624 3.950 20 0 EHADLO CO[C@@H](c1noc(C[NH+]2CCC(C)CC2)n1)c1cccc(Cl)c1 ZINC000276982986 1023582037 /nfs/dbraw/zinc/58/20/37/1023582037.db2.gz WFCNZZMBHLNGJR-MRXNPFEDSA-N 1 2 335.835 3.691 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000449741545 1033144507 /nfs/dbraw/zinc/14/45/07/1033144507.db2.gz KVIFLXTZVNGNBT-UHFFFAOYSA-N 1 2 336.439 3.689 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000535749164 1023605796 /nfs/dbraw/zinc/60/57/96/1023605796.db2.gz ORIOXOWSLQPXQM-NSHDSACASA-N 1 2 336.357 3.956 20 0 EHADLO CCc1cccc2c(CCNC(=O)Nc3cc(C)[nH+]cc3C)c[nH]c21 ZINC000535774619 1023624211 /nfs/dbraw/zinc/62/42/11/1023624211.db2.gz YSDHQXFOIVYZBL-UHFFFAOYSA-N 1 2 336.439 3.528 20 0 EHADLO CCC1(c2ccccc2)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000458223129 1023647217 /nfs/dbraw/zinc/64/72/17/1023647217.db2.gz XEZVYGDXFRYDMA-UHFFFAOYSA-N 1 2 345.446 3.735 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000341995574 1023748986 /nfs/dbraw/zinc/74/89/86/1023748986.db2.gz GSXYWJAMGNWWOA-NEPJUHHUSA-N 1 2 341.386 3.633 20 0 EHADLO Cn1c(NCc2cc(-n3ccnc3)cs2)[nH+]c2cccc(Cl)c21 ZINC000342014870 1023759667 /nfs/dbraw/zinc/75/96/67/1023759667.db2.gz FZVDPTRQENBAEI-UHFFFAOYSA-N 1 2 343.843 3.508 20 0 EHADLO Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000342067688 1023816227 /nfs/dbraw/zinc/81/62/27/1023816227.db2.gz XFPYVRIGGSPUGA-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000602793282 1033167089 /nfs/dbraw/zinc/16/70/89/1033167089.db2.gz OQEQLZRWMZKEJO-GOSISDBHSA-N 1 2 325.460 3.557 20 0 EHADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000602793282 1033167101 /nfs/dbraw/zinc/16/71/01/1033167101.db2.gz OQEQLZRWMZKEJO-GOSISDBHSA-N 1 2 325.460 3.557 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610947748 1023903580 /nfs/dbraw/zinc/90/35/80/1023903580.db2.gz WRDGRLUAQGCNKF-AWEZNQCLSA-N 1 2 325.437 3.842 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884132 1023940951 /nfs/dbraw/zinc/94/09/51/1023940951.db2.gz BAHNMZWCKLDSFQ-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884132 1023940953 /nfs/dbraw/zinc/94/09/53/1023940953.db2.gz BAHNMZWCKLDSFQ-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1Br ZINC000398468201 1023960387 /nfs/dbraw/zinc/96/03/87/1023960387.db2.gz MCUHWLFGVDBGFS-BDAKNGLRSA-N 1 2 342.262 3.721 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000895230139 1024005324 /nfs/dbraw/zinc/00/53/24/1024005324.db2.gz LTYZVRZETJOLBT-XMTFNYHQSA-N 1 2 330.472 3.503 20 0 EHADLO Nc1cc(CSc2nnc(-c3ccc4ccccc4c3)o2)cc[nH+]1 ZINC000443479054 1024025214 /nfs/dbraw/zinc/02/52/14/1024025214.db2.gz WBXDCPFHHAZPAG-UHFFFAOYSA-N 1 2 334.404 3.990 20 0 EHADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000173208898 1033175132 /nfs/dbraw/zinc/17/51/32/1033175132.db2.gz WRXWGDXWZRGZJL-XFXZXTDPSA-N 1 2 331.218 3.795 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3(CC(C)C)CC3)cn2c1 ZINC000598402650 1033175324 /nfs/dbraw/zinc/17/53/24/1033175324.db2.gz LHKMJIPHXARKGI-UHFFFAOYSA-N 1 2 331.485 3.571 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514000165 1024043217 /nfs/dbraw/zinc/04/32/17/1024043217.db2.gz VAZCGJYMOKLCRQ-BBRMVZONSA-N 1 2 340.920 3.735 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000514004840 1024045716 /nfs/dbraw/zinc/04/57/16/1024045716.db2.gz VDGBJAJEUSHPQP-GOSISDBHSA-N 1 2 341.499 3.857 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccncc3)n2)cc1F ZINC000151105851 1024050463 /nfs/dbraw/zinc/05/04/63/1024050463.db2.gz PHRYCPVHVKRDTK-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3noc4ccccc43)CC2)cc(F)c1F ZINC001143592400 1024054540 /nfs/dbraw/zinc/05/45/40/1024054540.db2.gz RARIKOZNQINSEF-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO CCN(CC)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099859 1024054704 /nfs/dbraw/zinc/05/47/04/1024054704.db2.gz PVXFYNNYCPCEKI-HNNXBMFYSA-N 1 2 341.858 3.667 20 0 EHADLO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cocn2)c1 ZINC000594060945 1033185093 /nfs/dbraw/zinc/18/50/93/1033185093.db2.gz DLSYCBUIFZPVEU-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO CC(C)n1ncnc1C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000434475855 1024066207 /nfs/dbraw/zinc/06/62/07/1024066207.db2.gz CQLBHWPUIFLLHJ-UHFFFAOYSA-N 1 2 349.276 3.791 20 0 EHADLO C[C@@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1n1cc[nH+]c1 ZINC000346060338 1024072965 /nfs/dbraw/zinc/07/29/65/1024072965.db2.gz ITQFBALCACVVRN-AGWGEYTISA-N 1 2 341.499 3.899 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1F ZINC000520543919 1024077292 /nfs/dbraw/zinc/07/72/92/1024077292.db2.gz YGJIPOJYXRRTID-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO Cc1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400816 1024088032 /nfs/dbraw/zinc/08/80/32/1024088032.db2.gz RCLNOUMUDKLLOA-BZNIZROVSA-N 1 2 335.835 3.538 20 0 EHADLO CCCc1ccc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000151327449 1024100965 /nfs/dbraw/zinc/10/09/65/1024100965.db2.gz RKAUMPQOMOALBF-UYAOXDASSA-N 1 2 339.483 3.912 20 0 EHADLO CC[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000522271862 1024137018 /nfs/dbraw/zinc/13/70/18/1024137018.db2.gz BBDIYWOFUIELOV-OAHLLOKOSA-N 1 2 333.501 3.817 20 0 EHADLO CCCCn1c(S[C@H]2COC(C)(C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000657225639 1024140412 /nfs/dbraw/zinc/14/04/12/1024140412.db2.gz MXLPAHJPAHVQOF-KGLIPLIRSA-N 1 2 340.537 3.751 20 0 EHADLO O=C(CCn1ccc2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342120656 1024158063 /nfs/dbraw/zinc/15/80/63/1024158063.db2.gz FBMWMFAKULJLTE-UHFFFAOYSA-N 1 2 348.381 3.995 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000098070770 1024167471 /nfs/dbraw/zinc/16/74/71/1024167471.db2.gz QFDOIYXKNKUCDM-CZUORRHYSA-N 1 2 343.496 3.881 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000098070770 1024167474 /nfs/dbraw/zinc/16/74/74/1024167474.db2.gz QFDOIYXKNKUCDM-CZUORRHYSA-N 1 2 343.496 3.881 20 0 EHADLO CC(C)c1cc(N2CCC(N3CCCOC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000896869755 1024169379 /nfs/dbraw/zinc/16/93/79/1024169379.db2.gz ASBIKUCALXSFFK-UHFFFAOYSA-N 1 2 346.475 3.535 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000522669414 1024176233 /nfs/dbraw/zinc/17/62/33/1024176233.db2.gz VVLPBWSCEZMHOQ-SFHVURJKSA-N 1 2 346.515 3.946 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(C)s1 ZINC000443595798 1024194031 /nfs/dbraw/zinc/19/40/31/1024194031.db2.gz WOJCMRAPYQEUEX-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO c1[nH]c2ncccc2c1C1=CC[N@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000443616896 1024237863 /nfs/dbraw/zinc/23/78/63/1024237863.db2.gz TULZBPAEHZRKIN-UHFFFAOYSA-N 1 2 349.438 3.893 20 0 EHADLO c1[nH]c2ncccc2c1C1=CC[N@@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000443616896 1024237881 /nfs/dbraw/zinc/23/78/81/1024237881.db2.gz TULZBPAEHZRKIN-UHFFFAOYSA-N 1 2 349.438 3.893 20 0 EHADLO CC(C)(CCC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000151615439 1024238060 /nfs/dbraw/zinc/23/80/60/1024238060.db2.gz MJMCDEVEKJVNNI-UHFFFAOYSA-N 1 2 325.456 3.805 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C(C)C)cc2)CC[NH2+]1 ZINC000505454147 1024241648 /nfs/dbraw/zinc/24/16/48/1024241648.db2.gz UCMKRUKCSRNNGD-LJQANCHMSA-N 1 2 338.451 3.605 20 0 EHADLO CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022342372 1024255822 /nfs/dbraw/zinc/25/58/22/1024255822.db2.gz KIMKSADOLJBKHO-HXUWFJFHSA-N 1 2 342.870 3.984 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443639371 1024290061 /nfs/dbraw/zinc/29/00/61/1024290061.db2.gz NTBZKWWXJGZBBW-ZBFHGGJFSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443639371 1024290073 /nfs/dbraw/zinc/29/00/73/1024290073.db2.gz NTBZKWWXJGZBBW-ZBFHGGJFSA-N 1 2 344.842 3.820 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425149318 1024315493 /nfs/dbraw/zinc/31/54/93/1024315493.db2.gz QNNBMXVYHXSCHE-UONOGXRCSA-N 1 2 347.409 3.708 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277247690 1024330561 /nfs/dbraw/zinc/33/05/61/1024330561.db2.gz OZRUTAJXNPKGPF-GOSISDBHSA-N 1 2 338.455 3.766 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149639 1024336614 /nfs/dbraw/zinc/33/66/14/1024336614.db2.gz WWHNVXXJFXRNKK-FXAWDEMLSA-N 1 2 347.462 3.988 20 0 EHADLO Oc1cccc2sc(C[N@@H+]3CCO[C@@H](CC(F)(F)F)C3)cc21 ZINC000895348796 1024356596 /nfs/dbraw/zinc/35/65/96/1024356596.db2.gz ACBWFFQZPHDOJB-JTQLQIEISA-N 1 2 331.359 3.760 20 0 EHADLO Oc1cccc2sc(C[N@H+]3CCO[C@@H](CC(F)(F)F)C3)cc21 ZINC000895348796 1024356618 /nfs/dbraw/zinc/35/66/18/1024356618.db2.gz ACBWFFQZPHDOJB-JTQLQIEISA-N 1 2 331.359 3.760 20 0 EHADLO Cc1sc2ncnc(N3CCC(Nc4cccc[nH+]4)CC3)c2c1C ZINC000895354800 1024372026 /nfs/dbraw/zinc/37/20/26/1024372026.db2.gz GNVTYSODIAIHRR-UHFFFAOYSA-N 1 2 339.468 3.784 20 0 EHADLO c1n[nH]c([C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C2CCCCC2)n1 ZINC000330253473 1024373940 /nfs/dbraw/zinc/37/39/40/1024373940.db2.gz IXLREFTUOLTXIW-IAGOWNOFSA-N 1 2 332.492 3.898 20 0 EHADLO CC(C)C[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H]1CCCc2cccnc21 ZINC000330265557 1024377139 /nfs/dbraw/zinc/37/71/39/1024377139.db2.gz ZKNAOHDWCRQTBU-INIZCTEOSA-N 1 2 327.476 3.859 20 0 EHADLO CC(C)C[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H]1CCCc2cccnc21 ZINC000330265557 1024377155 /nfs/dbraw/zinc/37/71/55/1024377155.db2.gz ZKNAOHDWCRQTBU-INIZCTEOSA-N 1 2 327.476 3.859 20 0 EHADLO CC(C)(CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505498905 1024381619 /nfs/dbraw/zinc/38/16/19/1024381619.db2.gz OWSZHDRJDJTOII-IBGZPJMESA-N 1 2 340.442 3.667 20 0 EHADLO COC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCCC1 ZINC000184372328 1024408237 /nfs/dbraw/zinc/40/82/37/1024408237.db2.gz WWDUFBRPYPPIMZ-UHFFFAOYSA-N 1 2 333.819 3.814 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnn(C(C)C)c2)c2ccco2)cc1 ZINC000449783171 1033209338 /nfs/dbraw/zinc/20/93/38/1033209338.db2.gz ZVVHHKLHVNEAJG-IBGZPJMESA-N 1 2 325.412 3.945 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CCCC2CCCCC2)CC[NH2+]1 ZINC000505524039 1024434148 /nfs/dbraw/zinc/43/41/48/1024434148.db2.gz OMOAFNHJCRKWSJ-IBGZPJMESA-N 1 2 344.499 3.919 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)n1 ZINC000280924065 1024440518 /nfs/dbraw/zinc/44/05/18/1024440518.db2.gz GOYZUFKSCHETJY-HNNXBMFYSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)n1 ZINC000280924065 1024440527 /nfs/dbraw/zinc/44/05/27/1024440527.db2.gz GOYZUFKSCHETJY-HNNXBMFYSA-N 1 2 331.485 3.627 20 0 EHADLO Cc1cc(N2CC[C@@]3(CC(F)(F)C3(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000895385332 1024449170 /nfs/dbraw/zinc/44/91/70/1024449170.db2.gz HAGYFAYICZKUEX-CQSZACIVSA-N 1 2 329.341 3.923 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000602856776 1033211964 /nfs/dbraw/zinc/21/19/64/1033211964.db2.gz RNKGGMBHUGWSRT-UKRRQHHQSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000602856776 1033211970 /nfs/dbraw/zinc/21/19/70/1033211970.db2.gz RNKGGMBHUGWSRT-UKRRQHHQSA-N 1 2 332.473 3.658 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504901 1024459758 /nfs/dbraw/zinc/45/97/58/1024459758.db2.gz PLHUJFIMHZBFEN-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504901 1024459764 /nfs/dbraw/zinc/45/97/64/1024459764.db2.gz PLHUJFIMHZBFEN-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO Cc1cc(Br)cn2c(C[N@H+](C)Cc3ccco3)cnc12 ZINC000346190077 1024472225 /nfs/dbraw/zinc/47/22/25/1024472225.db2.gz VPWDKOGTKXIKOY-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1cc(Br)cn2c(C[N@@H+](C)Cc3ccco3)cnc12 ZINC000346190077 1024472233 /nfs/dbraw/zinc/47/22/33/1024472233.db2.gz VPWDKOGTKXIKOY-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC=C(C)C2)cs1 ZINC000280948389 1024475957 /nfs/dbraw/zinc/47/59/57/1024475957.db2.gz XDGMRILOINFAHO-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC=C(C)C2)cs1 ZINC000280948389 1024475964 /nfs/dbraw/zinc/47/59/64/1024475964.db2.gz XDGMRILOINFAHO-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO CCc1nnc(C[N@@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)s1 ZINC000895433430 1024496022 /nfs/dbraw/zinc/49/60/22/1024496022.db2.gz MIIPNYDZNQRFDK-LLVKDONJSA-N 1 2 337.876 3.757 20 0 EHADLO CCc1nnc(C[N@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)s1 ZINC000895433430 1024496026 /nfs/dbraw/zinc/49/60/26/1024496026.db2.gz MIIPNYDZNQRFDK-LLVKDONJSA-N 1 2 337.876 3.757 20 0 EHADLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc2ccccc2c1 ZINC000346182365 1024497081 /nfs/dbraw/zinc/49/70/81/1024497081.db2.gz SLCFXYONAWAOLQ-UHFFFAOYSA-N 1 2 343.434 3.507 20 0 EHADLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc2ccccc2c1 ZINC000346182365 1024497097 /nfs/dbraw/zinc/49/70/97/1024497097.db2.gz SLCFXYONAWAOLQ-UHFFFAOYSA-N 1 2 343.434 3.507 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000151726823 1024501918 /nfs/dbraw/zinc/50/19/18/1024501918.db2.gz XXSNSQITXYBDNH-AGIUHOORSA-N 1 2 327.519 3.744 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000151726823 1024501928 /nfs/dbraw/zinc/50/19/28/1024501928.db2.gz XXSNSQITXYBDNH-AGIUHOORSA-N 1 2 327.519 3.744 20 0 EHADLO CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCc2ccccc2C1 ZINC000346212882 1024504890 /nfs/dbraw/zinc/50/48/90/1024504890.db2.gz BXRXOWPWNBIRSR-MSOLQXFVSA-N 1 2 337.467 3.626 20 0 EHADLO Cc1ccnc(N)c1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000895458979 1024523939 /nfs/dbraw/zinc/52/39/39/1024523939.db2.gz VMBQAXMSRGWQKM-UHFFFAOYSA-N 1 2 327.762 3.517 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000434983342 1024529056 /nfs/dbraw/zinc/52/90/56/1024529056.db2.gz UUNWJAZXSKRVKT-UHFFFAOYSA-N 1 2 332.419 3.694 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000434983342 1024529061 /nfs/dbraw/zinc/52/90/61/1024529061.db2.gz UUNWJAZXSKRVKT-UHFFFAOYSA-N 1 2 332.419 3.694 20 0 EHADLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434985391 1024539860 /nfs/dbraw/zinc/53/98/60/1024539860.db2.gz IKUWOVKBIZAXGA-ZDUSSCGKSA-N 1 2 344.402 3.851 20 0 EHADLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434985391 1024539864 /nfs/dbraw/zinc/53/98/64/1024539864.db2.gz IKUWOVKBIZAXGA-ZDUSSCGKSA-N 1 2 344.402 3.851 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001143428004 1024540656 /nfs/dbraw/zinc/54/06/56/1024540656.db2.gz HBXNNKQBZZJLPH-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001143428004 1024540662 /nfs/dbraw/zinc/54/06/62/1024540662.db2.gz HBXNNKQBZZJLPH-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO c1cc(-c2ccc(C[N@@H+]3CCO[C@H](CCc4ccccc4)C3)o2)n[nH]1 ZINC000434984791 1024541262 /nfs/dbraw/zinc/54/12/62/1024541262.db2.gz BZQSUJLFCVUMBA-QGZVFWFLSA-N 1 2 337.423 3.503 20 0 EHADLO c1cc(-c2ccc(C[N@H+]3CCO[C@H](CCc4ccccc4)C3)o2)n[nH]1 ZINC000434984791 1024541269 /nfs/dbraw/zinc/54/12/69/1024541269.db2.gz BZQSUJLFCVUMBA-QGZVFWFLSA-N 1 2 337.423 3.503 20 0 EHADLO CC1(C)C[N@@H+]([C@@H](CNc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000505586401 1024550149 /nfs/dbraw/zinc/55/01/49/1024550149.db2.gz SRTLOGUOHPZHFV-KRWDZBQOSA-N 1 2 345.874 3.999 20 0 EHADLO CC1(C)C[N@H+]([C@@H](CNc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000505586401 1024550160 /nfs/dbraw/zinc/55/01/60/1024550160.db2.gz SRTLOGUOHPZHFV-KRWDZBQOSA-N 1 2 345.874 3.999 20 0 EHADLO CC(C)COc1ncccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000343332696 1024554766 /nfs/dbraw/zinc/55/47/66/1024554766.db2.gz GBMZKQSPGJMOPW-UHFFFAOYSA-N 1 2 336.395 3.759 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000892075578 1024581611 /nfs/dbraw/zinc/58/16/11/1024581611.db2.gz KHWLRVZGXGVHLC-UHFFFAOYSA-N 1 2 341.299 3.925 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000892075578 1024581615 /nfs/dbraw/zinc/58/16/15/1024581615.db2.gz KHWLRVZGXGVHLC-UHFFFAOYSA-N 1 2 341.299 3.925 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000669656624 1033221579 /nfs/dbraw/zinc/22/15/79/1033221579.db2.gz CVKLRQHXSJPBBF-JKSUJKDBSA-N 1 2 347.409 3.646 20 0 EHADLO CCCO[C@H]1CCC[N@H+](Cc2noc(Cc3ccccc3C)n2)CC1 ZINC000435059748 1024589013 /nfs/dbraw/zinc/58/90/13/1024589013.db2.gz IJHILYCFIVHNFW-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](Cc2noc(Cc3ccccc3C)n2)CC1 ZINC000435059748 1024589018 /nfs/dbraw/zinc/58/90/18/1024589018.db2.gz IJHILYCFIVHNFW-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000281066547 1024613319 /nfs/dbraw/zinc/61/33/19/1024613319.db2.gz ZUEXOQONGJMRBK-QGZVFWFLSA-N 1 2 335.411 3.879 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000346326292 1024625083 /nfs/dbraw/zinc/62/50/83/1024625083.db2.gz JERNKWQESNCJFR-UHFFFAOYSA-N 1 2 338.436 3.587 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000548601446 1024634380 /nfs/dbraw/zinc/63/43/80/1024634380.db2.gz WEPIBPRHOFTHRH-JSGCOSHPSA-N 1 2 347.488 3.716 20 0 EHADLO Cc1cc(CNc2ccc3ccn(C)c(=O)c3c2)c2c([nH+]1)CCCC2 ZINC000894304802 1024643445 /nfs/dbraw/zinc/64/34/45/1024643445.db2.gz HLNBSADIKMZXDR-UHFFFAOYSA-N 1 2 333.435 3.733 20 0 EHADLO O=C1CCc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cc3c2N1CCC3 ZINC000665211890 1024652156 /nfs/dbraw/zinc/65/21/56/1024652156.db2.gz JJFDEHUVBVWZER-UHFFFAOYSA-N 1 2 343.430 3.824 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1OCC ZINC000514682568 1024652973 /nfs/dbraw/zinc/65/29/73/1024652973.db2.gz PMBBSAPAVQWKER-LSDHHAIUSA-N 1 2 345.443 3.509 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1[C@@H](C)C1CC1 ZINC000346329406 1024654223 /nfs/dbraw/zinc/65/42/23/1024654223.db2.gz GGDGVQLLLVURNT-AWEZNQCLSA-N 1 2 335.411 3.601 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474259507 1024656594 /nfs/dbraw/zinc/65/65/94/1024656594.db2.gz NKSUIGGTCUMVJQ-SJORKVTESA-N 1 2 328.460 3.738 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3CC[C@H](C)C4(CCC4)C3)sc2C1 ZINC000346334592 1024658024 /nfs/dbraw/zinc/65/80/24/1024658024.db2.gz RYBQFKKYWQSRME-HNNXBMFYSA-N 1 2 333.545 3.922 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3CC[C@H](C)C4(CCC4)C3)sc2C1 ZINC000346334592 1024658029 /nfs/dbraw/zinc/65/80/29/1024658029.db2.gz RYBQFKKYWQSRME-HNNXBMFYSA-N 1 2 333.545 3.922 20 0 EHADLO Cc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000179012933 1024658353 /nfs/dbraw/zinc/65/83/53/1024658353.db2.gz AZCTWFXNOLSOFJ-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO CCn1c[nH+]cc1CN1Cc2cc(Br)ccc2C[C@@H]1C ZINC000417806156 1024696462 /nfs/dbraw/zinc/69/64/62/1024696462.db2.gz ANIPQSFANMMEJR-LBPRGKRZSA-N 1 2 334.261 3.612 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474289996 1024698470 /nfs/dbraw/zinc/69/84/70/1024698470.db2.gz NWIFSMJJWKFSEG-HKUYNNGSSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)Cc1ncc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425299889 1024709716 /nfs/dbraw/zinc/70/97/16/1024709716.db2.gz KNIDXPAUQZEASF-KRWDZBQOSA-N 1 2 349.438 3.559 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000342286097 1024716642 /nfs/dbraw/zinc/71/66/42/1024716642.db2.gz WKVCGFNPFFDZAD-UHFFFAOYSA-N 1 2 348.855 3.515 20 0 EHADLO CCSCc1ccc[nH+]c1NC1CCN(c2nccs2)CC1 ZINC000895688005 1024721246 /nfs/dbraw/zinc/72/12/46/1024721246.db2.gz HPQCZWROGUPUHJ-UHFFFAOYSA-N 1 2 334.514 3.872 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000505640771 1024728296 /nfs/dbraw/zinc/72/82/96/1024728296.db2.gz XNSCLAGXUKELGX-UHFFFAOYSA-N 1 2 337.423 3.886 20 0 EHADLO CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC(C)(C)C1 ZINC000425314399 1024732173 /nfs/dbraw/zinc/73/21/73/1024732173.db2.gz CBZOACNJEMMLSP-KRWDZBQOSA-N 1 2 325.456 3.969 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000425317750 1024742914 /nfs/dbraw/zinc/74/29/14/1024742914.db2.gz RZDVHXFYWDWYSQ-WSTZPKSXSA-N 1 2 335.451 3.579 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482997 1024767744 /nfs/dbraw/zinc/76/77/44/1024767744.db2.gz KKEGZLAEWLEJHM-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482997 1024767752 /nfs/dbraw/zinc/76/77/52/1024767752.db2.gz KKEGZLAEWLEJHM-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO CSc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000346505192 1024783261 /nfs/dbraw/zinc/78/32/61/1024783261.db2.gz JICQETJLOXOGRW-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO CCOC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000327382390 1024789923 /nfs/dbraw/zinc/78/99/23/1024789923.db2.gz YIIADVMGKDCIOF-UHFFFAOYSA-N 1 2 335.407 3.970 20 0 EHADLO CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1c[nH+]cn1C(C)C ZINC000425342544 1024802257 /nfs/dbraw/zinc/80/22/57/1024802257.db2.gz ZEUNWLSFZAYYJQ-SFHVURJKSA-N 1 2 329.444 3.590 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427817725 1024802166 /nfs/dbraw/zinc/80/21/66/1024802166.db2.gz GIVBXMABCSHZET-SJORKVTESA-N 1 2 339.426 3.966 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000520789666 1024852540 /nfs/dbraw/zinc/85/25/40/1024852540.db2.gz WLAMQXFLKMOSBL-AWEZNQCLSA-N 1 2 346.833 3.998 20 0 EHADLO Cc1cn2cc(NC(=O)N(Cc3cccc(F)c3)C3CC3)ccc2[nH+]1 ZINC000346547480 1024883435 /nfs/dbraw/zinc/88/34/35/1024883435.db2.gz MPBPSAFJJFKNBC-UHFFFAOYSA-N 1 2 338.386 3.978 20 0 EHADLO CSc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000435398578 1024897808 /nfs/dbraw/zinc/89/78/08/1024897808.db2.gz PMKZYVLFUFFEFQ-UHFFFAOYSA-N 1 2 344.455 3.506 20 0 EHADLO CN(C[C@@H]1CC1(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664487250 1024904237 /nfs/dbraw/zinc/90/42/37/1024904237.db2.gz KROYTSQLRUIACC-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(O)ccc2Br)c1 ZINC000505693599 1024911246 /nfs/dbraw/zinc/91/12/46/1024911246.db2.gz GNHUMYMPCBPXBO-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(O)ccc2Br)c1 ZINC000505693599 1024911258 /nfs/dbraw/zinc/91/12/58/1024911258.db2.gz GNHUMYMPCBPXBO-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO Cc1cc(C)c2cc(N[C@H]3CCC[C@H](S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000895875491 1024922964 /nfs/dbraw/zinc/92/29/64/1024922964.db2.gz IHIGKUYVDPEEHC-HOCLYGCPSA-N 1 2 332.469 3.619 20 0 EHADLO CC[C@@H](Nc1cc(CC(=O)OC)cc[nH+]1)c1cc(F)ccc1OC ZINC000895879927 1024925298 /nfs/dbraw/zinc/92/52/98/1024925298.db2.gz NWERTNVKXMRWRC-OAHLLOKOSA-N 1 2 332.375 3.508 20 0 EHADLO CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474421078 1024932568 /nfs/dbraw/zinc/93/25/68/1024932568.db2.gz KIOUYQHDNANLNQ-DOTOQJQBSA-N 1 2 339.483 3.948 20 0 EHADLO CC[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474421078 1024932573 /nfs/dbraw/zinc/93/25/73/1024932573.db2.gz KIOUYQHDNANLNQ-DOTOQJQBSA-N 1 2 339.483 3.948 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)on1 ZINC000105455718 1024945210 /nfs/dbraw/zinc/94/52/10/1024945210.db2.gz OLEDXQIBGBLIHK-UHFFFAOYSA-N 1 2 348.809 3.619 20 0 EHADLO Fc1ccc2occ(C[NH+]3CCN(c4ncccc4Cl)CC3)c2c1 ZINC001141854829 1024965085 /nfs/dbraw/zinc/96/50/85/1024965085.db2.gz RSYBOPSGYWQJJG-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000375659942 1024983563 /nfs/dbraw/zinc/98/35/63/1024983563.db2.gz YTJMGRWDZXIEES-QGZVFWFLSA-N 1 2 325.456 3.557 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000375659942 1024983578 /nfs/dbraw/zinc/98/35/78/1024983578.db2.gz YTJMGRWDZXIEES-QGZVFWFLSA-N 1 2 325.456 3.557 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000897944497 1033252636 /nfs/dbraw/zinc/25/26/36/1033252636.db2.gz HAQDKBVDXCCBEH-UHFFFAOYSA-N 1 2 340.427 3.661 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1F ZINC000120076768 1033255419 /nfs/dbraw/zinc/25/54/19/1033255419.db2.gz LRYBLFKNFXNHMX-HZPDHXFCSA-N 1 2 343.446 3.534 20 0 EHADLO CC(C)Cc1noc(C[N@H+](C)CCCOc2cccc(Cl)c2)n1 ZINC000071968563 1025029902 /nfs/dbraw/zinc/02/99/02/1025029902.db2.gz XILXRMLDTOIIHM-UHFFFAOYSA-N 1 2 337.851 3.822 20 0 EHADLO CC(C)Cc1noc(C[N@@H+](C)CCCOc2cccc(Cl)c2)n1 ZINC000071968563 1025029913 /nfs/dbraw/zinc/02/99/13/1025029913.db2.gz XILXRMLDTOIIHM-UHFFFAOYSA-N 1 2 337.851 3.822 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(F)cccc1F ZINC000191778294 1025094248 /nfs/dbraw/zinc/09/42/48/1025094248.db2.gz DLWLNSNRINIOEK-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C4CCC3CC4)n2)C1 ZINC000515232221 1025100276 /nfs/dbraw/zinc/10/02/76/1025100276.db2.gz OUUMCZKWPQODEI-GRTSSRMGSA-N 1 2 334.489 3.534 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C4CCC3CC4)n2)C1 ZINC000515232221 1025100285 /nfs/dbraw/zinc/10/02/85/1025100285.db2.gz OUUMCZKWPQODEI-GRTSSRMGSA-N 1 2 334.489 3.534 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@](=O)C1 ZINC000277440510 1025102741 /nfs/dbraw/zinc/10/27/41/1025102741.db2.gz KBQIPNSULRXVOK-HJPURHCSSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@](=O)C1 ZINC000277440510 1025102746 /nfs/dbraw/zinc/10/27/46/1025102746.db2.gz KBQIPNSULRXVOK-HJPURHCSSA-N 1 2 329.465 3.679 20 0 EHADLO Cn1ccc([C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2ccc(F)cc2)n1 ZINC000665269203 1025108525 /nfs/dbraw/zinc/10/85/25/1025108525.db2.gz BHXBBEVQIJHROG-UYAOXDASSA-N 1 2 336.414 3.508 20 0 EHADLO Brc1cccc2c(N3CC[C@@H]([C@H]4CCOC4)C3)cc[nH+]c12 ZINC000441955453 1025116058 /nfs/dbraw/zinc/11/60/58/1025116058.db2.gz QTQPAXOKQOGBJZ-OLZOCXBDSA-N 1 2 347.256 3.860 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cnc(C(C)C)nc4C)n3)[nH+]c12 ZINC000896064559 1025118468 /nfs/dbraw/zinc/11/84/68/1025118468.db2.gz FYUWREGLKYXFHJ-UHFFFAOYSA-N 1 2 348.410 3.505 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(C)c(OCC(F)F)c2)c[nH+]1 ZINC000896094375 1025148160 /nfs/dbraw/zinc/14/81/60/1025148160.db2.gz BMVSJXNTAGKEGW-UHFFFAOYSA-N 1 2 337.370 3.518 20 0 EHADLO Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cc[nH+]1 ZINC000346849442 1025219324 /nfs/dbraw/zinc/21/93/24/1025219324.db2.gz WTKQHBGTVLFJOC-UHFFFAOYSA-N 1 2 334.341 3.891 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc[nH+]1 ZINC000346836187 1025224539 /nfs/dbraw/zinc/22/45/39/1025224539.db2.gz AYJMIIVVQPUJEU-UHFFFAOYSA-N 1 2 345.240 3.635 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1NCc1ccccc1C ZINC000346835446 1025225354 /nfs/dbraw/zinc/22/53/54/1025225354.db2.gz XXVPAZIBVUJYBV-UHFFFAOYSA-N 1 2 334.423 3.820 20 0 EHADLO CC(C)c1cnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000346856001 1025245334 /nfs/dbraw/zinc/24/53/34/1025245334.db2.gz VTVKBUHBDPGVCA-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)n(C)c1C ZINC000327670964 1025250179 /nfs/dbraw/zinc/25/01/79/1025250179.db2.gz KJIPUMRZIQWXKC-LJQANCHMSA-N 1 2 338.407 3.592 20 0 EHADLO CCCCN1CCc2ccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)cc21 ZINC000574523401 1033270265 /nfs/dbraw/zinc/27/02/65/1033270265.db2.gz OWFZTPQDIVENQZ-OAHLLOKOSA-N 1 2 326.444 3.636 20 0 EHADLO CCc1cc(C)c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000474649013 1025269936 /nfs/dbraw/zinc/26/99/36/1025269936.db2.gz RNSCQHSLRVIWBB-UHFFFAOYSA-N 1 2 346.858 3.592 20 0 EHADLO CCc1cc(C)c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000474649013 1025269938 /nfs/dbraw/zinc/26/99/38/1025269938.db2.gz RNSCQHSLRVIWBB-UHFFFAOYSA-N 1 2 346.858 3.592 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC000896238383 1025279025 /nfs/dbraw/zinc/27/90/25/1025279025.db2.gz VCGNSOGDLQKTDS-SNVBAGLBSA-N 1 2 342.226 3.683 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC000896238383 1025279035 /nfs/dbraw/zinc/27/90/35/1025279035.db2.gz VCGNSOGDLQKTDS-SNVBAGLBSA-N 1 2 342.226 3.683 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1F ZINC000521253295 1025300346 /nfs/dbraw/zinc/30/03/46/1025300346.db2.gz XNTHIIKGTBZNHV-SJCJKPOMSA-N 1 2 347.409 3.627 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1F ZINC000521253296 1025301459 /nfs/dbraw/zinc/30/14/59/1025301459.db2.gz XNTHIIKGTBZNHV-SJKOYZFVSA-N 1 2 347.409 3.627 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000521269388 1025304853 /nfs/dbraw/zinc/30/48/53/1025304853.db2.gz ZRPPJFOCHUIIBM-ZDUSSCGKSA-N 1 2 347.409 3.838 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000521269388 1025304878 /nfs/dbraw/zinc/30/48/78/1025304878.db2.gz ZRPPJFOCHUIIBM-ZDUSSCGKSA-N 1 2 347.409 3.838 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346928018 1025321316 /nfs/dbraw/zinc/32/13/16/1025321316.db2.gz DPQIBPZTTRZCNQ-CYBMUJFWSA-N 1 2 334.379 3.687 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000521321977 1025327358 /nfs/dbraw/zinc/32/73/58/1025327358.db2.gz RHMYBSPBUKCING-SFHVURJKSA-N 1 2 339.483 3.759 20 0 EHADLO COCCc1nc(C[N@H+]([C@H](C)c2ccccc2)C2CCCC2)no1 ZINC000425456621 1025337238 /nfs/dbraw/zinc/33/72/38/1025337238.db2.gz ITCHVHSCPJUOQI-OAHLLOKOSA-N 1 2 329.444 3.764 20 0 EHADLO COCCc1nc(C[N@@H+]([C@H](C)c2ccccc2)C2CCCC2)no1 ZINC000425456621 1025337252 /nfs/dbraw/zinc/33/72/52/1025337252.db2.gz ITCHVHSCPJUOQI-OAHLLOKOSA-N 1 2 329.444 3.764 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000346978593 1025354814 /nfs/dbraw/zinc/35/48/14/1025354814.db2.gz UCSRGUFCNXAUAQ-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000346978593 1025354829 /nfs/dbraw/zinc/35/48/29/1025354829.db2.gz UCSRGUFCNXAUAQ-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425460557 1025364866 /nfs/dbraw/zinc/36/48/66/1025364866.db2.gz QWGGBUFOIWCJGP-PRHODGIISA-N 1 2 331.750 3.526 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Br)c2)[C@@H]1[C@@H]1CCCO1 ZINC000515559333 1025366172 /nfs/dbraw/zinc/36/61/72/1025366172.db2.gz NJEFDJWUYMWVIA-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Br)c2)[C@@H]1[C@@H]1CCCO1 ZINC000515559333 1025366178 /nfs/dbraw/zinc/36/61/78/1025366178.db2.gz NJEFDJWUYMWVIA-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO Cc1cc[nH]c1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000436074196 1025367441 /nfs/dbraw/zinc/36/74/41/1025367441.db2.gz WSPAABCLUQNEJD-OAHLLOKOSA-N 1 2 349.837 3.683 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000607746484 1033278765 /nfs/dbraw/zinc/27/87/65/1033278765.db2.gz RQYVIKSGOUAXSK-ORAYPTAESA-N 1 2 333.378 3.935 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000607746484 1033278778 /nfs/dbraw/zinc/27/87/78/1033278778.db2.gz RQYVIKSGOUAXSK-ORAYPTAESA-N 1 2 333.378 3.935 20 0 EHADLO C[C@@H]1CC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000582141289 1025410343 /nfs/dbraw/zinc/41/03/43/1025410343.db2.gz MTGWUIFQOVKCNU-RHSMWYFYSA-N 1 2 346.862 3.547 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(F)c1 ZINC000098081296 1025416453 /nfs/dbraw/zinc/41/64/53/1025416453.db2.gz INQVYWRDELCTLX-LJQANCHMSA-N 1 2 328.431 3.867 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(F)c1 ZINC000098081296 1025416461 /nfs/dbraw/zinc/41/64/61/1025416461.db2.gz INQVYWRDELCTLX-LJQANCHMSA-N 1 2 328.431 3.867 20 0 EHADLO O=C(CCCn1cccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436171437 1025434077 /nfs/dbraw/zinc/43/40/77/1025434077.db2.gz CPLLLRZYBNRXSM-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)[C@H]1C ZINC000522470866 1025450116 /nfs/dbraw/zinc/45/01/16/1025450116.db2.gz RNFLDUSSFVBERY-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)[C@H]1C ZINC000522470866 1025450126 /nfs/dbraw/zinc/45/01/26/1025450126.db2.gz RNFLDUSSFVBERY-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1Cl ZINC000451047856 1025465933 /nfs/dbraw/zinc/46/59/33/1025465933.db2.gz XVEXUPHATIIDIO-GDBMZVCRSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1Cl ZINC000451047856 1025465938 /nfs/dbraw/zinc/46/59/38/1025465938.db2.gz XVEXUPHATIIDIO-GDBMZVCRSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1Cl ZINC000451047859 1025466855 /nfs/dbraw/zinc/46/68/55/1025466855.db2.gz XVEXUPHATIIDIO-ZBFHGGJFSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1Cl ZINC000451047859 1025466868 /nfs/dbraw/zinc/46/68/68/1025466868.db2.gz XVEXUPHATIIDIO-ZBFHGGJFSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000451063145 1025489088 /nfs/dbraw/zinc/48/90/88/1025489088.db2.gz LJWGYXLLIDLHRY-GFCCVEGCSA-N 1 2 336.844 3.573 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000451063145 1025489102 /nfs/dbraw/zinc/48/91/02/1025489102.db2.gz LJWGYXLLIDLHRY-GFCCVEGCSA-N 1 2 336.844 3.573 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)[nH]1 ZINC000277503918 1025501176 /nfs/dbraw/zinc/50/11/76/1025501176.db2.gz VRPRIZWSYHGCCJ-HIFRSBDPSA-N 1 2 338.459 3.663 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000451066964 1025509196 /nfs/dbraw/zinc/50/91/96/1025509196.db2.gz NVOFSDUEGSOBBT-KRWDZBQOSA-N 1 2 348.903 3.708 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000451066964 1025509214 /nfs/dbraw/zinc/50/92/14/1025509214.db2.gz NVOFSDUEGSOBBT-KRWDZBQOSA-N 1 2 348.903 3.708 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c[nH+]1 ZINC000896528650 1025514478 /nfs/dbraw/zinc/51/44/78/1025514478.db2.gz JLLHJIVKVYWKFN-UHFFFAOYSA-N 1 2 329.448 3.726 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000515722172 1025517689 /nfs/dbraw/zinc/51/76/89/1025517689.db2.gz KESKJEHDMLDPLE-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000515722172 1025517710 /nfs/dbraw/zinc/51/77/10/1025517710.db2.gz KESKJEHDMLDPLE-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO Cc1cc(CNC(=O)NC2(c3ccccc3Cl)CC2)cc(C)[nH+]1 ZINC000645552774 1025537866 /nfs/dbraw/zinc/53/78/66/1025537866.db2.gz KVHZAFOAFKJAGQ-UHFFFAOYSA-N 1 2 329.831 3.840 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnc2n1CCC2 ZINC000436270745 1025539810 /nfs/dbraw/zinc/53/98/10/1025539810.db2.gz PRDYYZZWHOTOMM-SECBINFHSA-N 1 2 344.768 3.747 20 0 EHADLO CC[C@]1(C)C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000442885908 1025569325 /nfs/dbraw/zinc/56/93/25/1025569325.db2.gz MQQWWIWGGOOJSQ-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000442885908 1025569338 /nfs/dbraw/zinc/56/93/38/1025569338.db2.gz MQQWWIWGGOOJSQ-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281846759 1025572039 /nfs/dbraw/zinc/57/20/39/1025572039.db2.gz AZAYPESMEZQHHS-LJQANCHMSA-N 1 2 349.478 3.728 20 0 EHADLO COc1ccc2ccccc2c1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898023293 1033293206 /nfs/dbraw/zinc/29/32/06/1033293206.db2.gz UVLRESCKTDFKJZ-UHFFFAOYSA-N 1 2 349.356 3.891 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)C2 ZINC000530300957 1025617838 /nfs/dbraw/zinc/61/78/38/1025617838.db2.gz WNPMHQSVGYXXDM-RBSFLKMASA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)CC2 ZINC000530300957 1025617850 /nfs/dbraw/zinc/61/78/50/1025617850.db2.gz WNPMHQSVGYXXDM-RBSFLKMASA-N 1 2 331.504 3.969 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nc3cccnc3s2)o1 ZINC000342459674 1025621626 /nfs/dbraw/zinc/62/16/26/1025621626.db2.gz CVSPNFUHEBJEOW-CQSZACIVSA-N 1 2 329.425 3.768 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nc3cccnc3s2)o1 ZINC000342459674 1025621636 /nfs/dbraw/zinc/62/16/36/1025621636.db2.gz CVSPNFUHEBJEOW-CQSZACIVSA-N 1 2 329.425 3.768 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cncc(F)c2)sc1Br ZINC000451180670 1025637774 /nfs/dbraw/zinc/63/77/74/1025637774.db2.gz DCNZOFODUKDXKM-SSDOTTSWSA-N 1 2 330.226 3.599 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1(CC)CC ZINC000582255530 1025681154 /nfs/dbraw/zinc/68/11/54/1025681154.db2.gz AHMCRUXZAHOOTL-KSZLIROESA-N 1 2 346.450 3.607 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000425543375 1025701885 /nfs/dbraw/zinc/70/18/85/1025701885.db2.gz PEVXLUUAUZQOFI-HNNXBMFYSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000425543375 1025701899 /nfs/dbraw/zinc/70/18/99/1025701899.db2.gz PEVXLUUAUZQOFI-HNNXBMFYSA-N 1 2 330.453 3.903 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc2cccc(F)c2o1 ZINC000530383624 1025717333 /nfs/dbraw/zinc/71/73/33/1025717333.db2.gz IBWGRXIBIGITOT-ZDUSSCGKSA-N 1 2 344.390 3.609 20 0 EHADLO C[C@@H](OCC(F)(F)F)c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000896603999 1025718346 /nfs/dbraw/zinc/71/83/46/1025718346.db2.gz QVHGNXJLOCFQLZ-SNVBAGLBSA-N 1 2 338.289 3.562 20 0 EHADLO CSc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000029668475 1025736442 /nfs/dbraw/zinc/73/64/42/1025736442.db2.gz NTPSXIQRVXEWAX-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@@H]1C ZINC000451283811 1025758376 /nfs/dbraw/zinc/75/83/76/1025758376.db2.gz GSIWWPPJADSDKX-SOLBZPMBSA-N 1 2 343.515 3.998 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451289877 1025772185 /nfs/dbraw/zinc/77/21/85/1025772185.db2.gz KSXXTWQLHFRMGA-SJLPKXTDSA-N 1 2 329.488 3.608 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)NCc1sccc1C ZINC000348304711 1025776440 /nfs/dbraw/zinc/77/64/40/1025776440.db2.gz IDUBCQOVSOMDTK-UHFFFAOYSA-N 1 2 334.510 3.527 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)NCc1sccc1C ZINC000348304711 1025776461 /nfs/dbraw/zinc/77/64/61/1025776461.db2.gz IDUBCQOVSOMDTK-UHFFFAOYSA-N 1 2 334.510 3.527 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nnc(-c3ccccc3Cl)s1)C2 ZINC000896659873 1025797904 /nfs/dbraw/zinc/79/79/04/1025797904.db2.gz IIUGQFYIPGIIIS-UHFFFAOYSA-N 1 2 345.859 3.638 20 0 EHADLO CCOC(=O)c1sc(/C=C/c2c[nH+]c3c(C)cccn23)nc1C ZINC000303914969 1025806472 /nfs/dbraw/zinc/80/64/72/1025806472.db2.gz SKKAMKNDYHCPQN-BQYQJAHWSA-N 1 2 327.409 3.755 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc(Cl)nc3c1CCCC3(C)C)C2 ZINC000896654308 1025812345 /nfs/dbraw/zinc/81/23/45/1025812345.db2.gz OMMOOJOELOMNNT-UHFFFAOYSA-N 1 2 345.878 3.523 20 0 EHADLO CCNc1nc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cs1 ZINC001167562714 1025819469 /nfs/dbraw/zinc/81/94/69/1025819469.db2.gz PPROWFCJLYGYFD-INIZCTEOSA-N 1 2 344.528 3.902 20 0 EHADLO CCNc1nc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cs1 ZINC001167562714 1025819490 /nfs/dbraw/zinc/81/94/90/1025819490.db2.gz PPROWFCJLYGYFD-INIZCTEOSA-N 1 2 344.528 3.902 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684820611 1025831361 /nfs/dbraw/zinc/83/13/61/1025831361.db2.gz DFYKWVNSHYZFPJ-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCc2ccncc2)o1 ZINC000347298613 1025838065 /nfs/dbraw/zinc/83/80/65/1025838065.db2.gz OIFIXHHCOXTRAF-LJQANCHMSA-N 1 2 334.423 3.505 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCc2ccncc2)o1 ZINC000347298613 1025838085 /nfs/dbraw/zinc/83/80/85/1025838085.db2.gz OIFIXHHCOXTRAF-LJQANCHMSA-N 1 2 334.423 3.505 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451360791 1025867798 /nfs/dbraw/zinc/86/77/98/1025867798.db2.gz YNSJHTDCKWTRPX-VFZGTOFNSA-N 1 2 339.798 3.810 20 0 EHADLO COc1cccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000530471538 1025883342 /nfs/dbraw/zinc/88/33/42/1025883342.db2.gz FVQYNEFREMXLHJ-XHSDSOJGSA-N 1 2 341.455 3.877 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@H]3CCCN(C)c4ccccc43)n2)c1 ZINC000582342202 1025908058 /nfs/dbraw/zinc/90/80/58/1025908058.db2.gz LKAVFEXWDVWWHQ-INIZCTEOSA-N 1 2 349.438 3.501 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000121842215 1025910128 /nfs/dbraw/zinc/91/01/28/1025910128.db2.gz KPNATHXNYDZGNT-CMJOXMDJSA-N 1 2 346.477 3.613 20 0 EHADLO FCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000451392348 1025915920 /nfs/dbraw/zinc/91/59/20/1025915920.db2.gz IVGXVDGCIGWIHN-UHFFFAOYSA-N 1 2 326.213 3.507 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334912 1025925803 /nfs/dbraw/zinc/92/58/03/1025925803.db2.gz RLQPBKSDOKZEGS-HNNXBMFYSA-N 1 2 348.462 3.885 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334912 1025925817 /nfs/dbraw/zinc/92/58/17/1025925817.db2.gz RLQPBKSDOKZEGS-HNNXBMFYSA-N 1 2 348.462 3.885 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[N@@H+]3CCc4ccccc4C3)n2)c1 ZINC000191174166 1025970669 /nfs/dbraw/zinc/97/06/69/1025970669.db2.gz MWGGVGPEEXPVJP-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000191174166 1025970684 /nfs/dbraw/zinc/97/06/84/1025970684.db2.gz MWGGVGPEEXPVJP-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029916950 1025975085 /nfs/dbraw/zinc/97/50/85/1025975085.db2.gz PXGIAMVXCGWFRN-MDZDMXLPSA-N 1 2 330.347 3.665 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001143561682 1025980331 /nfs/dbraw/zinc/98/03/31/1025980331.db2.gz XBMRMWJPJSLBTK-KRWDZBQOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001143561682 1025980341 /nfs/dbraw/zinc/98/03/41/1025980341.db2.gz XBMRMWJPJSLBTK-KRWDZBQOSA-N 1 2 333.378 3.765 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH+]c1C ZINC000896917159 1026002621 /nfs/dbraw/zinc/00/26/21/1026002621.db2.gz ZBJYKAQXQRZUES-UHFFFAOYSA-N 1 2 331.725 3.629 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000451460846 1026007484 /nfs/dbraw/zinc/00/74/84/1026007484.db2.gz AFWPEEHDPXGKCC-OAHLLOKOSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000896919580 1026025374 /nfs/dbraw/zinc/02/53/74/1026025374.db2.gz STIYOCLVSXEYDH-KGLIPLIRSA-N 1 2 338.238 3.753 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccon1 ZINC000349204451 1026038909 /nfs/dbraw/zinc/03/89/09/1026038909.db2.gz UQQQQZMNACELDY-CVEARBPZSA-N 1 2 349.434 3.620 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920256 1026049709 /nfs/dbraw/zinc/04/97/09/1026049709.db2.gz KYLRVSQDOKTFCL-MRXNPFEDSA-N 1 2 329.444 3.624 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)[nH+]c1C ZINC000896924280 1026050147 /nfs/dbraw/zinc/05/01/47/1026050147.db2.gz VEZDDAKMWDFJNZ-HNNXBMFYSA-N 1 2 329.444 3.542 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814134 1026062142 /nfs/dbraw/zinc/06/21/42/1026062142.db2.gz ZZIUSASECQZBGB-RYUDHWBXSA-N 1 2 326.227 3.772 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814134 1026062165 /nfs/dbraw/zinc/06/21/65/1026062165.db2.gz ZZIUSASECQZBGB-RYUDHWBXSA-N 1 2 326.227 3.772 20 0 EHADLO CC(C)(C)SCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896826313 1026101479 /nfs/dbraw/zinc/10/14/79/1026101479.db2.gz VXQMVHMBPFYMLQ-UHFFFAOYSA-N 1 2 328.441 3.878 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000451565811 1026118539 /nfs/dbraw/zinc/11/85/39/1026118539.db2.gz IKMSHBSVCJPECY-GXFFZTMASA-N 1 2 336.233 3.691 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000451565811 1026118545 /nfs/dbraw/zinc/11/85/45/1026118545.db2.gz IKMSHBSVCJPECY-GXFFZTMASA-N 1 2 336.233 3.691 20 0 EHADLO Cn1ncc2c1CCCN(c1[nH+]ccc3cc(C(F)(F)F)ccc31)C2 ZINC000413480036 1026123763 /nfs/dbraw/zinc/12/37/63/1026123763.db2.gz JUZCNCYXKURMRQ-UHFFFAOYSA-N 1 2 346.356 3.940 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000530706893 1026214537 /nfs/dbraw/zinc/21/45/37/1026214537.db2.gz UVLPVNDWFGBDIY-UHFFFAOYSA-N 1 2 330.457 3.684 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CCC1(F)F ZINC001140564522 1026241881 /nfs/dbraw/zinc/24/18/81/1026241881.db2.gz BJEBOFCJVAQBHZ-JTQLQIEISA-N 1 2 343.723 3.808 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CCC1(F)F ZINC001140564522 1026241888 /nfs/dbraw/zinc/24/18/88/1026241888.db2.gz BJEBOFCJVAQBHZ-JTQLQIEISA-N 1 2 343.723 3.808 20 0 EHADLO CC(C)[C@H](NC(=O)COc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000530717664 1026242034 /nfs/dbraw/zinc/24/20/34/1026242034.db2.gz TZRJYWYXIMTQFK-NRFANRHFSA-N 1 2 349.434 3.765 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)c1ccc(F)cc1)C2 ZINC000475170327 1026290062 /nfs/dbraw/zinc/29/00/62/1026290062.db2.gz CHCNNGVJFTWGLC-DZGCQCFKSA-N 1 2 343.446 3.697 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)c1ccc(F)cc1)CC2 ZINC000475170327 1026290070 /nfs/dbraw/zinc/29/00/70/1026290070.db2.gz CHCNNGVJFTWGLC-DZGCQCFKSA-N 1 2 343.446 3.697 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827846 1026313425 /nfs/dbraw/zinc/31/34/25/1026313425.db2.gz AMCSNMUAGZSAKJ-MUQADHOPSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827846 1026313437 /nfs/dbraw/zinc/31/34/37/1026313437.db2.gz AMCSNMUAGZSAKJ-MUQADHOPSA-N 1 2 330.472 3.890 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2ccn3C)c1 ZINC000530815541 1026315797 /nfs/dbraw/zinc/31/57/97/1026315797.db2.gz ZOVNKWUYFYGWRI-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836917 1026316246 /nfs/dbraw/zinc/31/62/46/1026316246.db2.gz LPWFLUOKHCYLSR-RDTXWAMCSA-N 1 2 342.414 3.651 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836917 1026316262 /nfs/dbraw/zinc/31/62/62/1026316262.db2.gz LPWFLUOKHCYLSR-RDTXWAMCSA-N 1 2 342.414 3.651 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(F)c2)s1 ZINC000122216692 1026324781 /nfs/dbraw/zinc/32/47/81/1026324781.db2.gz ZBEJIVDGIBGCDN-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(F)c2)s1 ZINC000122216692 1026324792 /nfs/dbraw/zinc/32/47/92/1026324792.db2.gz ZBEJIVDGIBGCDN-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000582462433 1026332457 /nfs/dbraw/zinc/33/24/57/1026332457.db2.gz WPGGHPVTFUOUTD-MSOLQXFVSA-N 1 2 346.434 3.724 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841561 1026336834 /nfs/dbraw/zinc/33/68/34/1026336834.db2.gz PXBSGNVZZVWMAN-CRAIPNDOSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841561 1026336846 /nfs/dbraw/zinc/33/68/46/1026336846.db2.gz PXBSGNVZZVWMAN-CRAIPNDOSA-N 1 2 330.472 3.986 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)sc1Cc1ccc(C)cc1 ZINC000600960701 1026343784 /nfs/dbraw/zinc/34/37/84/1026343784.db2.gz OHNYEYCAZGVWHC-MRXNPFEDSA-N 1 2 343.496 3.774 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)sc1Cc1ccc(C)cc1 ZINC000600960701 1026343795 /nfs/dbraw/zinc/34/37/95/1026343795.db2.gz OHNYEYCAZGVWHC-MRXNPFEDSA-N 1 2 343.496 3.774 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(C)c1 ZINC000657439498 1026367394 /nfs/dbraw/zinc/36/73/94/1026367394.db2.gz IMLRRFYKIKERSN-UHFFFAOYSA-N 1 2 332.444 3.987 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899698 1026367870 /nfs/dbraw/zinc/36/78/70/1026367870.db2.gz ZCRQNTHISVPZRI-WFASDCNBSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899698 1026367882 /nfs/dbraw/zinc/36/78/82/1026367882.db2.gz ZCRQNTHISVPZRI-WFASDCNBSA-N 1 2 348.434 3.936 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000530905601 1026392485 /nfs/dbraw/zinc/39/24/85/1026392485.db2.gz PDXABNYISMCXOQ-INIZCTEOSA-N 1 2 348.446 3.855 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000530905601 1026392500 /nfs/dbraw/zinc/39/25/00/1026392500.db2.gz PDXABNYISMCXOQ-INIZCTEOSA-N 1 2 348.446 3.855 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(F)cc1 ZINC000277643715 1026412220 /nfs/dbraw/zinc/41/22/20/1026412220.db2.gz TXHCVGKTKNDZCJ-DHZHZOJOSA-N 1 2 329.419 3.537 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)OC(C)(C)C ZINC000582493053 1026418989 /nfs/dbraw/zinc/41/89/89/1026418989.db2.gz QPWRNYSKQRILJC-HNNXBMFYSA-N 1 2 343.427 3.629 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)no1 ZINC000451980864 1026419684 /nfs/dbraw/zinc/41/96/84/1026419684.db2.gz ROBFPFXCGUNRMK-LJQANCHMSA-N 1 2 343.496 3.688 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CCC[C@@]3(CCSC3)C2)no1 ZINC000451980864 1026419691 /nfs/dbraw/zinc/41/96/91/1026419691.db2.gz ROBFPFXCGUNRMK-LJQANCHMSA-N 1 2 343.496 3.688 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278923 1026430436 /nfs/dbraw/zinc/43/04/36/1026430436.db2.gz LUMHRJTZRFHGOJ-MWLCHTKSSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278923 1026430441 /nfs/dbraw/zinc/43/04/41/1026430441.db2.gz LUMHRJTZRFHGOJ-MWLCHTKSSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000475294414 1026438442 /nfs/dbraw/zinc/43/84/42/1026438442.db2.gz ZKOVCGCFGUFNOB-ZUZCIYMTSA-N 1 2 331.790 3.941 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000475294414 1026438446 /nfs/dbraw/zinc/43/84/46/1026438446.db2.gz ZKOVCGCFGUFNOB-ZUZCIYMTSA-N 1 2 331.790 3.941 20 0 EHADLO Fc1ccc(Br)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000354121223 1026462375 /nfs/dbraw/zinc/46/23/75/1026462375.db2.gz RGWZXGYYLXPQAG-UHFFFAOYSA-N 1 2 342.252 3.979 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)C1(C)C ZINC000248195418 1026527770 /nfs/dbraw/zinc/52/77/70/1026527770.db2.gz OYWDGWSKZJOZPD-DLBZAZTESA-N 1 2 332.513 3.631 20 0 EHADLO O=C(c1cc2c(cccc2Cl)s1)N1CC[NH+](CCCF)CC1 ZINC000627955580 1026532821 /nfs/dbraw/zinc/53/28/21/1026532821.db2.gz SDXJFHVKQWFWHF-UHFFFAOYSA-N 1 2 340.851 3.672 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637389 1026533232 /nfs/dbraw/zinc/53/32/32/1026533232.db2.gz SMBSCTZRRUNYHM-KGLIPLIRSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637389 1026533237 /nfs/dbraw/zinc/53/32/37/1026533237.db2.gz SMBSCTZRRUNYHM-KGLIPLIRSA-N 1 2 326.396 3.724 20 0 EHADLO Fc1cc(C[NH2+]Cc2nc3c(s2)COCC3)ccc1C(F)F ZINC000897239614 1026554940 /nfs/dbraw/zinc/55/49/40/1026554940.db2.gz KGPWBUJXIASCCO-UHFFFAOYSA-N 1 2 328.359 3.582 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCCC(F)(F)C1 ZINC000281994745 1026557630 /nfs/dbraw/zinc/55/76/30/1026557630.db2.gz IJWYHLKYAMPOOP-GFCCVEGCSA-N 1 2 343.443 3.893 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)C12CCC(CC1)C2 ZINC000452208831 1026575176 /nfs/dbraw/zinc/57/51/76/1026575176.db2.gz PYINHJSKKFEZRC-UHFFFAOYSA-N 1 2 329.831 3.722 20 0 EHADLO CCCn1nccc1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000657464446 1026583129 /nfs/dbraw/zinc/58/31/29/1026583129.db2.gz ZXDBZPYNQOCDEW-UHFFFAOYSA-N 1 2 344.203 3.624 20 0 EHADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccoc1 ZINC000342652515 1026586674 /nfs/dbraw/zinc/58/66/74/1026586674.db2.gz ZTXSAIXWACMQNN-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccoc1 ZINC000342652515 1026586683 /nfs/dbraw/zinc/58/66/83/1026586683.db2.gz ZTXSAIXWACMQNN-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000277696654 1026598393 /nfs/dbraw/zinc/59/83/93/1026598393.db2.gz LOULQEUBLLMVAM-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000277696654 1026598403 /nfs/dbraw/zinc/59/84/03/1026598403.db2.gz LOULQEUBLLMVAM-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697616 1026599406 /nfs/dbraw/zinc/59/94/06/1026599406.db2.gz REXURAPHAZETOZ-GYCJOSAFSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697616 1026599416 /nfs/dbraw/zinc/59/94/16/1026599416.db2.gz REXURAPHAZETOZ-GYCJOSAFSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697611 1026600284 /nfs/dbraw/zinc/60/02/84/1026600284.db2.gz REXURAPHAZETOZ-FYSMJZIKSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697611 1026600289 /nfs/dbraw/zinc/60/02/89/1026600289.db2.gz REXURAPHAZETOZ-FYSMJZIKSA-N 1 2 344.480 3.525 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2=CCCC2)C[C@H](C)O1 ZINC000665625692 1026608887 /nfs/dbraw/zinc/60/88/87/1026608887.db2.gz JSWWBADFRDIQPW-HOTGVXAUSA-N 1 2 343.471 3.528 20 0 EHADLO c1ccc(CO[C@H]2CCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342667652 1026651550 /nfs/dbraw/zinc/65/15/50/1026651550.db2.gz BMJPBYCFQMUMFY-MSOLQXFVSA-N 1 2 338.455 3.627 20 0 EHADLO c1ccc(CO[C@H]2CCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342667652 1026651556 /nfs/dbraw/zinc/65/15/56/1026651556.db2.gz BMJPBYCFQMUMFY-MSOLQXFVSA-N 1 2 338.455 3.627 20 0 EHADLO Cc1cn2cc(NC(=O)N(C[C@@H]3CCCO3)C3CCCC3)ccc2[nH+]1 ZINC000531184193 1026655375 /nfs/dbraw/zinc/65/53/75/1026655375.db2.gz XMNHMGNIYBBZRE-KRWDZBQOSA-N 1 2 342.443 3.598 20 0 EHADLO c1ccc2c(c1)[nH+]c(NCc1cccnc1)nc2NCc1cccnc1 ZINC000301171112 1026711475 /nfs/dbraw/zinc/71/14/75/1026711475.db2.gz XBWVTNUYFRFTFV-UHFFFAOYSA-N 1 2 342.406 3.644 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](CNc3nc4ccccc4s3)C2)cc1 ZINC000025370299 1026724656 /nfs/dbraw/zinc/72/46/56/1026724656.db2.gz HZTQDYDDUHWTLC-MRXNPFEDSA-N 1 2 339.464 3.609 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](CNc3nc4ccccc4s3)C2)cc1 ZINC000025370299 1026724668 /nfs/dbraw/zinc/72/46/68/1026724668.db2.gz HZTQDYDDUHWTLC-MRXNPFEDSA-N 1 2 339.464 3.609 20 0 EHADLO CCCCCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729576978 1026725160 /nfs/dbraw/zinc/72/51/60/1026725160.db2.gz YTEJPLORDDETQY-MRXNPFEDSA-N 1 2 333.476 3.782 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000301247159 1026737657 /nfs/dbraw/zinc/73/76/57/1026737657.db2.gz QKBCRDQTKLDQFR-CQSZACIVSA-N 1 2 346.272 3.727 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ccccc3-n3cccn3)[nH+]cn2)C1 ZINC000301251709 1026739687 /nfs/dbraw/zinc/73/96/87/1026739687.db2.gz PYIXSAYKNOGNDU-MRXNPFEDSA-N 1 2 348.454 3.511 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ccccc3-n3cccn3)nc[nH+]2)C1 ZINC000301251709 1026739698 /nfs/dbraw/zinc/73/96/98/1026739698.db2.gz PYIXSAYKNOGNDU-MRXNPFEDSA-N 1 2 348.454 3.511 20 0 EHADLO Brc1cncc(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000301355950 1026776009 /nfs/dbraw/zinc/77/60/09/1026776009.db2.gz KMQPWOTXXSTWBY-UHFFFAOYSA-N 1 2 343.228 3.701 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1cc2ccccc2o1 ZINC000301362037 1026777282 /nfs/dbraw/zinc/77/72/82/1026777282.db2.gz QLYATBKLDGTTQA-CYBMUJFWSA-N 1 2 340.452 3.949 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1cc2ccccc2o1 ZINC000301362037 1026777292 /nfs/dbraw/zinc/77/72/92/1026777292.db2.gz QLYATBKLDGTTQA-CYBMUJFWSA-N 1 2 340.452 3.949 20 0 EHADLO Cc1nnc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC000301369250 1026779762 /nfs/dbraw/zinc/77/97/62/1026779762.db2.gz SIXLXXYEPLWDDA-CYBMUJFWSA-N 1 2 340.855 3.716 20 0 EHADLO Cc1nnc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC000301369250 1026779773 /nfs/dbraw/zinc/77/97/73/1026779773.db2.gz SIXLXXYEPLWDDA-CYBMUJFWSA-N 1 2 340.855 3.716 20 0 EHADLO CCc1cc(N2CCC[C@H]2c2ccc(OC)cc2OC)nc(C)[nH+]1 ZINC000301372408 1026780762 /nfs/dbraw/zinc/78/07/62/1026780762.db2.gz VTVQCUHSBUNUNS-KRWDZBQOSA-N 1 2 327.428 3.706 20 0 EHADLO CSCC1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000452487520 1026782340 /nfs/dbraw/zinc/78/23/40/1026782340.db2.gz DKGUTXCVOYFAAW-UHFFFAOYSA-N 1 2 329.469 3.524 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000531304612 1026786943 /nfs/dbraw/zinc/78/69/43/1026786943.db2.gz GGRQEUJDEMTYFO-QGZVFWFLSA-N 1 2 332.831 3.849 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc(Cl)cn2)c1 ZINC000301475999 1026819210 /nfs/dbraw/zinc/81/92/10/1026819210.db2.gz AZJAZTQJAVOHBI-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc(Cl)cn2)c1 ZINC000301475999 1026819218 /nfs/dbraw/zinc/81/92/18/1026819218.db2.gz AZJAZTQJAVOHBI-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C)C1 ZINC001625944176 1026830782 /nfs/dbraw/zinc/83/07/82/1026830782.db2.gz FFPRYQPSRFTJPQ-FLVLSHQESA-N 1 2 344.499 3.720 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C)C1 ZINC001625944176 1026830791 /nfs/dbraw/zinc/83/07/91/1026830791.db2.gz FFPRYQPSRFTJPQ-FLVLSHQESA-N 1 2 344.499 3.720 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301509521 1026834130 /nfs/dbraw/zinc/83/41/30/1026834130.db2.gz KFGKZRLNEULJMN-GFCCVEGCSA-N 1 2 348.903 3.952 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000452589100 1026840161 /nfs/dbraw/zinc/84/01/61/1026840161.db2.gz KIBAYSIRIQGBMI-CXAGYDPISA-N 1 2 347.821 3.506 20 0 EHADLO Cc1cc(NCCc2nc3ccc(F)cc3n2C)nc(C(C)C)[nH+]1 ZINC000301665967 1026894515 /nfs/dbraw/zinc/89/45/15/1026894515.db2.gz OHMLVXABSRUQSG-UHFFFAOYSA-N 1 2 327.407 3.589 20 0 EHADLO Cc1nc(N2CCc3cccc(Br)c3C2)c(C)c(C)[nH+]1 ZINC000301694067 1026903662 /nfs/dbraw/zinc/90/36/62/1026903662.db2.gz OTUXCHPAWQQRIF-UHFFFAOYSA-N 1 2 332.245 3.727 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531435551 1026918005 /nfs/dbraw/zinc/91/80/05/1026918005.db2.gz WGXOMSOLYJQMJJ-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531435551 1026918011 /nfs/dbraw/zinc/91/80/11/1026918011.db2.gz WGXOMSOLYJQMJJ-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccccc1C(C)(F)F ZINC000452671435 1026922023 /nfs/dbraw/zinc/92/20/23/1026922023.db2.gz MSWWHSZYZMUQGG-ZIAGYGMSSA-N 1 2 345.393 3.904 20 0 EHADLO Cc1cccc(O[C@@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301855559 1026965123 /nfs/dbraw/zinc/96/51/23/1026965123.db2.gz BVLUEWCBYBBQIY-AWEZNQCLSA-N 1 2 339.443 3.769 20 0 EHADLO COc1cccc([C@@H](O)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1 ZINC000301859246 1026966693 /nfs/dbraw/zinc/96/66/93/1026966693.db2.gz KBLJMAQNWQSXCM-KRWDZBQOSA-N 1 2 329.444 3.878 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCN(c3ncccc3F)C2)nc(C(C)C)[nH+]1 ZINC000301861916 1026969153 /nfs/dbraw/zinc/96/91/53/1026969153.db2.gz LCUYDJHTFUWFPW-CQSZACIVSA-N 1 2 343.450 3.948 20 0 EHADLO Nc1nc(N2CC[C@@H](CSc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301863275 1026969884 /nfs/dbraw/zinc/96/98/84/1026969884.db2.gz CTGCBQOABDDJFS-CQSZACIVSA-N 1 2 336.464 3.831 20 0 EHADLO Nc1nc(N[C@H]2CCN(c3cccc(Cl)c3)C2)[nH+]c2ccccc12 ZINC000301867152 1026970662 /nfs/dbraw/zinc/97/06/62/1026970662.db2.gz DQSVCWNITLTBTE-ZDUSSCGKSA-N 1 2 339.830 3.556 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Cc1cccs1 ZINC000301870751 1026973289 /nfs/dbraw/zinc/97/32/89/1026973289.db2.gz HEUAXLOKWDIAFQ-GFCCVEGCSA-N 1 2 329.473 3.934 20 0 EHADLO CC(C)Oc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301902441 1026986484 /nfs/dbraw/zinc/98/64/84/1026986484.db2.gz WLGRXQFTZSZVGQ-UHFFFAOYSA-N 1 2 339.443 3.981 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)c1c[nH]c2ccccc12 ZINC000025680260 1026990521 /nfs/dbraw/zinc/99/05/21/1026990521.db2.gz UTWTWKIJVBEMMA-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)c1c[nH]c2ccccc12 ZINC000025680260 1026990532 /nfs/dbraw/zinc/99/05/32/1026990532.db2.gz UTWTWKIJVBEMMA-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c(C)c1 ZINC000123195180 1027012290 /nfs/dbraw/zinc/01/22/90/1027012290.db2.gz ZAADAQIGVNFHCA-IFXJQAMLSA-N 1 2 336.439 3.705 20 0 EHADLO CN(Cc1cc(F)c(F)c(F)c1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000302026735 1027028026 /nfs/dbraw/zinc/02/80/26/1027028026.db2.gz IIUJMXKMIKICJH-UHFFFAOYSA-N 1 2 336.361 3.521 20 0 EHADLO CN(Cc1cc(F)c(F)c(F)c1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000302026735 1027028032 /nfs/dbraw/zinc/02/80/32/1027028032.db2.gz IIUJMXKMIKICJH-UHFFFAOYSA-N 1 2 336.361 3.521 20 0 EHADLO CC(C)c1cc(N2CCC(OC[C@@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000302117401 1027058299 /nfs/dbraw/zinc/05/82/99/1027058299.db2.gz CKEJWPIQCOLQDP-MRXNPFEDSA-N 1 2 347.503 3.745 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000531580979 1027068411 /nfs/dbraw/zinc/06/84/11/1027068411.db2.gz QEXOZUJKUZVNQL-BHIYHBOVSA-N 1 2 325.456 3.562 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)n1 ZINC000074992598 1027093463 /nfs/dbraw/zinc/09/34/63/1027093463.db2.gz BCVGIDZCHXIVOG-AWEZNQCLSA-N 1 2 345.443 3.555 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnc(C)s1)C[C@@H]1CCCO1 ZINC000125712663 1027115712 /nfs/dbraw/zinc/11/57/12/1027115712.db2.gz JJJJJSOVOVDPAC-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnc(C)s1)C[C@@H]1CCCO1 ZINC000125712663 1027115722 /nfs/dbraw/zinc/11/57/22/1027115722.db2.gz JJJJJSOVOVDPAC-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000342795075 1027118504 /nfs/dbraw/zinc/11/85/04/1027118504.db2.gz WIZMUHFWSKGLPS-GFCCVEGCSA-N 1 2 343.324 3.758 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000342795075 1027118513 /nfs/dbraw/zinc/11/85/13/1027118513.db2.gz WIZMUHFWSKGLPS-GFCCVEGCSA-N 1 2 343.324 3.758 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000501192017 1027124731 /nfs/dbraw/zinc/12/47/31/1027124731.db2.gz NIBUBIPVJGCXKM-ROUUACIJSA-N 1 2 343.515 3.589 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1N1CCCC1 ZINC000044072946 1027148290 /nfs/dbraw/zinc/14/82/90/1027148290.db2.gz LJIAKELSFIDOLG-UHFFFAOYSA-N 1 2 338.411 3.562 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1N1CCCC1 ZINC000044072946 1027148301 /nfs/dbraw/zinc/14/83/01/1027148301.db2.gz LJIAKELSFIDOLG-UHFFFAOYSA-N 1 2 338.411 3.562 20 0 EHADLO COc1cccc2c(NC[C@H]3CCN(CC(F)(F)F)C3)cc[nH+]c12 ZINC000302422631 1027148208 /nfs/dbraw/zinc/14/82/08/1027148208.db2.gz JETCSLLGTJJUFO-GFCCVEGCSA-N 1 2 339.361 3.540 20 0 EHADLO CCc1cc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nc(C)[nH+]1 ZINC000272918598 1027179167 /nfs/dbraw/zinc/17/91/67/1027179167.db2.gz SQDGIUUUBZGXSJ-AWEZNQCLSA-N 1 2 346.500 3.679 20 0 EHADLO COc1cccc2c(NC[C@@H](O)c3c(F)cccc3F)cc[nH+]c12 ZINC000302535250 1027184621 /nfs/dbraw/zinc/18/46/21/1027184621.db2.gz MIWBIPRZIGPVHA-OAHLLOKOSA-N 1 2 330.334 3.667 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2cccc(Br)c2)n1C ZINC000342804200 1027198799 /nfs/dbraw/zinc/19/87/99/1027198799.db2.gz AZYNNJNJHKFHMF-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC(Oc3cc(C)ccn3)CC2)n1 ZINC000272980874 1027207088 /nfs/dbraw/zinc/20/70/88/1027207088.db2.gz QLUVQFHPGPUOIP-HNNXBMFYSA-N 1 2 344.459 3.720 20 0 EHADLO CCCCOc1ccc(CNc2[nH+]cnc3c2cnn3C)cc1Cl ZINC000302607691 1027210539 /nfs/dbraw/zinc/21/05/39/1027210539.db2.gz BACGOPGAXBRMNW-UHFFFAOYSA-N 1 2 345.834 3.808 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+]3CCCN(C=O)CC3)cs2)cc1 ZINC000272985839 1027211193 /nfs/dbraw/zinc/21/11/93/1027211193.db2.gz RZSRXCSATPYBJA-UHFFFAOYSA-N 1 2 343.496 3.598 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+]3CCCN(C=O)CC3)cs2)cc1 ZINC000272985839 1027211208 /nfs/dbraw/zinc/21/12/08/1027211208.db2.gz RZSRXCSATPYBJA-UHFFFAOYSA-N 1 2 343.496 3.598 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](Oc2ccncc2)C1 ZINC000302625444 1027216219 /nfs/dbraw/zinc/21/62/19/1027216219.db2.gz IADUFTLYDSWZKC-INIZCTEOSA-N 1 2 335.407 3.605 20 0 EHADLO Cc1ccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000075996188 1027218207 /nfs/dbraw/zinc/21/82/07/1027218207.db2.gz PCPPLMZOPXMOCZ-UHFFFAOYSA-N 1 2 325.334 3.819 20 0 EHADLO CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCO1 ZINC000273005029 1027223647 /nfs/dbraw/zinc/22/36/47/1027223647.db2.gz QFCWBNYHXOZVMW-WMLDXEAASA-N 1 2 327.428 3.857 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076052529 1027230827 /nfs/dbraw/zinc/23/08/27/1027230827.db2.gz LDGMZUBAKUWTER-IRXDYDNUSA-N 1 2 326.444 3.840 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076052560 1027231001 /nfs/dbraw/zinc/23/10/01/1027231001.db2.gz LDGMZUBAKUWTER-IAGOWNOFSA-N 1 2 326.444 3.840 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000076054718 1027231556 /nfs/dbraw/zinc/23/15/56/1027231556.db2.gz SIQDLQLVBGRPSC-ZWKOTPCHSA-N 1 2 338.455 3.758 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@]1=O ZINC000342806043 1027242257 /nfs/dbraw/zinc/24/22/57/1027242257.db2.gz IJABHGXDSRBRCK-RCDICMHDSA-N 1 2 333.884 3.960 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@]1=O ZINC000342806043 1027242275 /nfs/dbraw/zinc/24/22/75/1027242275.db2.gz IJABHGXDSRBRCK-RCDICMHDSA-N 1 2 333.884 3.960 20 0 EHADLO Cc1ccc(C)c(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000076139313 1027249624 /nfs/dbraw/zinc/24/96/24/1027249624.db2.gz GENKYKHIZHVNEI-UHFFFAOYSA-N 1 2 349.434 3.760 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([C@H]4C[C@H]4C)o3)CCO2)c1 ZINC000513714093 1027262462 /nfs/dbraw/zinc/26/24/62/1027262462.db2.gz YBFOLHVDQZNKCS-WNYOCNMUSA-N 1 2 327.424 3.985 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([C@H]4C[C@H]4C)o3)CCO2)c1 ZINC000513714093 1027262482 /nfs/dbraw/zinc/26/24/82/1027262482.db2.gz YBFOLHVDQZNKCS-WNYOCNMUSA-N 1 2 327.424 3.985 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000302778031 1027286598 /nfs/dbraw/zinc/28/65/98/1027286598.db2.gz GSTZSEBGJJGAPH-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(OC(F)F)cc1 ZINC000302778031 1027286606 /nfs/dbraw/zinc/28/66/06/1027286606.db2.gz GSTZSEBGJJGAPH-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO CC(C)Oc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000045431972 1027303641 /nfs/dbraw/zinc/30/36/41/1027303641.db2.gz OTJBOOXOODYWIU-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO CC(C)Cc1ccc([C@H](C)Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302803536 1027304947 /nfs/dbraw/zinc/30/49/47/1027304947.db2.gz VIYYYMBTPQFZNL-INIZCTEOSA-N 1 2 340.471 3.685 20 0 EHADLO CC(C)Cc1ccc([C@H](C)Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302803536 1027304966 /nfs/dbraw/zinc/30/49/66/1027304966.db2.gz VIYYYMBTPQFZNL-INIZCTEOSA-N 1 2 340.471 3.685 20 0 EHADLO c1[nH]c2ccccc2c1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302811871 1027307273 /nfs/dbraw/zinc/30/72/73/1027307273.db2.gz ZAHWYPSIDMBPST-UHFFFAOYSA-N 1 2 347.466 3.942 20 0 EHADLO c1[nH]c2ccccc2c1C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302811871 1027307289 /nfs/dbraw/zinc/30/72/89/1027307289.db2.gz ZAHWYPSIDMBPST-UHFFFAOYSA-N 1 2 347.466 3.942 20 0 EHADLO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835655 1027317499 /nfs/dbraw/zinc/31/74/99/1027317499.db2.gz VUEDRPBXYQFRBQ-WMZOPIPTSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835655 1027317518 /nfs/dbraw/zinc/31/75/18/1027317518.db2.gz VUEDRPBXYQFRBQ-WMZOPIPTSA-N 1 2 347.821 3.934 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@H]3C[C@@H](C)n4ncnc43)s2)cc1 ZINC000657569547 1027332583 /nfs/dbraw/zinc/33/25/83/1027332583.db2.gz OWUVXONEPRODKA-DOMZBBRYSA-N 1 2 325.441 3.506 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000469150186 1027334852 /nfs/dbraw/zinc/33/48/52/1027334852.db2.gz VBOFIUGIKSLDTE-GOSISDBHSA-N 1 2 344.499 3.556 20 0 EHADLO COc1cc(OC)c2ncnc(Oc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000302865016 1027335073 /nfs/dbraw/zinc/33/50/73/1027335073.db2.gz TZAQVZPXAYWNFX-UHFFFAOYSA-N 1 2 348.362 3.625 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CO)cc3)n2)cc1 ZINC000273268100 1027346194 /nfs/dbraw/zinc/34/61/94/1027346194.db2.gz DFEZLCYEPLFRLF-CQSZACIVSA-N 1 2 337.423 3.642 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000273296714 1027363250 /nfs/dbraw/zinc/36/32/50/1027363250.db2.gz MEOJJLOJCDBASF-GFCCVEGCSA-N 1 2 328.441 3.969 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1nccc(N)n1 ZINC000273320907 1027376273 /nfs/dbraw/zinc/37/62/73/1027376273.db2.gz RANDCOCKLMEAAB-LBPRGKRZSA-N 1 2 339.468 3.650 20 0 EHADLO CC[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000665723903 1027377313 /nfs/dbraw/zinc/37/73/13/1027377313.db2.gz KVBCCWVYHHJMCU-GOSISDBHSA-N 1 2 336.439 3.636 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1Cl ZINC000320866262 1027377404 /nfs/dbraw/zinc/37/74/04/1027377404.db2.gz GTLRMOHXOHUSHM-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000414445058 1027383164 /nfs/dbraw/zinc/38/31/64/1027383164.db2.gz VTLUJNNITHJLOB-OQQHHNTDSA-N 1 2 333.419 3.745 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000414445058 1027383182 /nfs/dbraw/zinc/38/31/82/1027383182.db2.gz VTLUJNNITHJLOB-OQQHHNTDSA-N 1 2 333.419 3.745 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000475900024 1027384835 /nfs/dbraw/zinc/38/48/35/1027384835.db2.gz RVRWYONZKVPYAV-UHFFFAOYSA-N 1 2 338.436 3.846 20 0 EHADLO COc1ccc2c(c1)CCCCN2C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000536567263 1027388329 /nfs/dbraw/zinc/38/83/29/1027388329.db2.gz IHYOUZBVLQHMPB-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122593 1027399674 /nfs/dbraw/zinc/39/96/74/1027399674.db2.gz QJFVCUUPQFWIRQ-FYKMYLNBSA-N 1 2 341.543 3.502 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000077797623 1027476752 /nfs/dbraw/zinc/47/67/52/1027476752.db2.gz ALUXUBZVPCQEJA-DLBZAZTESA-N 1 2 346.519 3.685 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000657585994 1027479092 /nfs/dbraw/zinc/47/90/92/1027479092.db2.gz DPCHVNRFZLXZOI-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO CCC[N@H+](Cc1cnc(CC)nc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414451134 1027479419 /nfs/dbraw/zinc/47/94/19/1027479419.db2.gz ZQZPAXXYYVELOB-INIZCTEOSA-N 1 2 340.471 3.587 20 0 EHADLO CCC[N@@H+](Cc1cnc(CC)nc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414451134 1027479423 /nfs/dbraw/zinc/47/94/23/1027479423.db2.gz ZQZPAXXYYVELOB-INIZCTEOSA-N 1 2 340.471 3.587 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536574355 1027485283 /nfs/dbraw/zinc/48/52/83/1027485283.db2.gz GPZNGSBBUKRZJZ-KBPBESRZSA-N 1 2 334.341 3.881 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H]2CCc3ccccc32)c2nccn2C)cc1 ZINC000129055052 1027515424 /nfs/dbraw/zinc/51/54/24/1027515424.db2.gz XTBJVAKASXZEAZ-WOJBJXKFSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C)C2)c(Br)c1 ZINC000501791899 1027538252 /nfs/dbraw/zinc/53/82/52/1027538252.db2.gz HRTXYKIQMSWZDY-QWHCGFSZSA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(Br)c1 ZINC000501791899 1027538262 /nfs/dbraw/zinc/53/82/62/1027538262.db2.gz HRTXYKIQMSWZDY-QWHCGFSZSA-N 1 2 339.277 3.674 20 0 EHADLO FC(F)(F)c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccn1 ZINC000342835116 1027541853 /nfs/dbraw/zinc/54/18/53/1027541853.db2.gz NBWJDCRJXRRXGN-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320921861 1027555860 /nfs/dbraw/zinc/55/58/60/1027555860.db2.gz CTXKNSRGDRTUPE-UHFFFAOYSA-N 1 2 335.791 3.720 20 0 EHADLO FC(F)(F)c1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000342837353 1027564814 /nfs/dbraw/zinc/56/48/14/1027564814.db2.gz XHSQKWZDOFDGSF-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO Cc1nc(N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc[nH+]1 ZINC000078259532 1027587027 /nfs/dbraw/zinc/58/70/27/1027587027.db2.gz DAQUJEYNGUQDBI-CYBMUJFWSA-N 1 2 333.395 3.605 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc(OC)c1 ZINC000657612175 1027626924 /nfs/dbraw/zinc/62/69/24/1027626924.db2.gz VCCQZTXOJJNNJE-LJQANCHMSA-N 1 2 338.407 3.828 20 0 EHADLO C[C@@H]1CCN(c2nc(C3CCCCC3)ns2)C[C@H]1n1cc[nH+]c1 ZINC000420604400 1027640364 /nfs/dbraw/zinc/64/03/64/1027640364.db2.gz SFBRNEZIFWVVMD-UKRRQHHQSA-N 1 2 331.489 3.870 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428363530 1027674715 /nfs/dbraw/zinc/67/47/15/1027674715.db2.gz MEBTYJWHPVHVQH-HNNXBMFYSA-N 1 2 345.402 3.836 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H]3CCCc4c(Cl)ccnc43)cn2c1 ZINC000924951157 1027676217 /nfs/dbraw/zinc/67/62/17/1027676217.db2.gz RBAVCTPUYFQWEP-MRXNPFEDSA-N 1 2 326.831 3.858 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(C)c2)sc1C ZINC000414466142 1027693242 /nfs/dbraw/zinc/69/32/42/1027693242.db2.gz VBYZDSYJQHHELR-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](Cc2cccnc2)C2CC2)cn1 ZINC000430059797 1027696701 /nfs/dbraw/zinc/69/67/01/1027696701.db2.gz KFDNVTFURLCMMF-UHFFFAOYSA-N 1 2 346.434 3.712 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](Cc2cccnc2)C2CC2)cn1 ZINC000430059797 1027696717 /nfs/dbraw/zinc/69/67/17/1027696717.db2.gz KFDNVTFURLCMMF-UHFFFAOYSA-N 1 2 346.434 3.712 20 0 EHADLO O=C(Nc1ccccc1C(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000582782532 1027698612 /nfs/dbraw/zinc/69/86/12/1027698612.db2.gz YVTIRLPMXPSHOD-CYBMUJFWSA-N 1 2 333.338 3.704 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000130960680 1027720680 /nfs/dbraw/zinc/72/06/80/1027720680.db2.gz YUZWPUVGTTYXDV-KDOFPFPSSA-N 1 2 344.434 3.641 20 0 EHADLO C[C@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455109814 1027722604 /nfs/dbraw/zinc/72/26/04/1027722604.db2.gz OMUAUTQOIZYLMF-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000420769216 1027734279 /nfs/dbraw/zinc/73/42/79/1027734279.db2.gz XKVQRXHKTROLEK-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO CCCc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)sc1C ZINC000546532942 1027748436 /nfs/dbraw/zinc/74/84/36/1027748436.db2.gz JCSQWWATOAKOHS-CQSZACIVSA-N 1 2 335.473 3.841 20 0 EHADLO CCCc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)sc1C ZINC000546532942 1027748453 /nfs/dbraw/zinc/74/84/53/1027748453.db2.gz JCSQWWATOAKOHS-CQSZACIVSA-N 1 2 335.473 3.841 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC000420853286 1027798204 /nfs/dbraw/zinc/79/82/04/1027798204.db2.gz TXQBNSNJIURXPA-SFHVURJKSA-N 1 2 327.403 3.884 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420875198 1027809179 /nfs/dbraw/zinc/80/91/79/1027809179.db2.gz ZNXFTTJXANZCEW-CQSZACIVSA-N 1 2 329.469 3.981 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2ccccc2c(Cl)n1 ZINC000178672179 1027820362 /nfs/dbraw/zinc/82/03/62/1027820362.db2.gz ZNOXORSMBOTNIE-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000533437963 1027844197 /nfs/dbraw/zinc/84/41/97/1027844197.db2.gz YBMVJNMZVQTMIN-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000533437963 1027844216 /nfs/dbraw/zinc/84/42/16/1027844216.db2.gz YBMVJNMZVQTMIN-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000502151012 1027846828 /nfs/dbraw/zinc/84/68/28/1027846828.db2.gz VHIPNYIOMROSSS-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000502151012 1027846850 /nfs/dbraw/zinc/84/68/50/1027846850.db2.gz VHIPNYIOMROSSS-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO CCCCc1nc(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)no1 ZINC000503517896 1027849954 /nfs/dbraw/zinc/84/99/54/1027849954.db2.gz TWTWYQDWNSTPON-IRXDYDNUSA-N 1 2 329.444 3.640 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OCC2CC2)c(F)c1 ZINC000420931687 1027906906 /nfs/dbraw/zinc/90/69/06/1027906906.db2.gz GSDQPXOPSLQDFD-NSHDSACASA-N 1 2 337.826 3.852 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1Cc1ccccc1)Cn1cc[nH+]c1 ZINC000153440138 1027913276 /nfs/dbraw/zinc/91/32/76/1027913276.db2.gz DCELYSSVRVHSFB-QGZVFWFLSA-N 1 2 333.435 3.540 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000420955334 1027920968 /nfs/dbraw/zinc/92/09/68/1027920968.db2.gz WHQCQGFYDUKAEV-CQSZACIVSA-N 1 2 339.361 3.825 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000420955334 1027920987 /nfs/dbraw/zinc/92/09/87/1027920987.db2.gz WHQCQGFYDUKAEV-CQSZACIVSA-N 1 2 339.361 3.825 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C[C@H](CC)O1 ZINC000420964702 1027934942 /nfs/dbraw/zinc/93/49/42/1027934942.db2.gz XGCVUVZVEFOHAY-CALCHBBNSA-N 1 2 327.428 3.658 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)nn2)C[C@H](CC)O1 ZINC000420964702 1027934962 /nfs/dbraw/zinc/93/49/62/1027934962.db2.gz XGCVUVZVEFOHAY-CALCHBBNSA-N 1 2 327.428 3.658 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000503597644 1027942259 /nfs/dbraw/zinc/94/22/59/1027942259.db2.gz IYEVZMBXCGYHFB-NKELODKYSA-N 1 2 343.854 3.960 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccsc1 ZINC000421005372 1027984785 /nfs/dbraw/zinc/98/47/85/1027984785.db2.gz JEPLIXLJTYYHCV-OAHLLOKOSA-N 1 2 337.510 3.993 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccsc1 ZINC000421005372 1027984791 /nfs/dbraw/zinc/98/47/91/1027984791.db2.gz JEPLIXLJTYYHCV-OAHLLOKOSA-N 1 2 337.510 3.993 20 0 EHADLO C[NH+](C)c1ccc(NCc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000892312762 1028002174 /nfs/dbraw/zinc/00/21/74/1028002174.db2.gz HELIUWJDUICZED-UHFFFAOYSA-N 1 2 343.431 3.502 20 0 EHADLO COC(=O)C[N@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C1CC1 ZINC000502266372 1028019211 /nfs/dbraw/zinc/01/92/11/1028019211.db2.gz FIPYTXZVZAPWJJ-FMIVXFBMSA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)C[N@@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C1CC1 ZINC000502266372 1028019228 /nfs/dbraw/zinc/01/92/28/1028019228.db2.gz FIPYTXZVZAPWJJ-FMIVXFBMSA-N 1 2 327.346 3.746 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(C)c(OC(F)F)c2)cc(C)[nH+]1 ZINC000421050626 1028038016 /nfs/dbraw/zinc/03/80/16/1028038016.db2.gz AQKZYJNTRWITSR-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)cn2c1 ZINC000533559479 1028078334 /nfs/dbraw/zinc/07/83/34/1028078334.db2.gz KLMLCUICWFLGCI-MRXNPFEDSA-N 1 2 341.842 3.949 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)cn2c1 ZINC000533559479 1028078350 /nfs/dbraw/zinc/07/83/50/1028078350.db2.gz KLMLCUICWFLGCI-MRXNPFEDSA-N 1 2 341.842 3.949 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)c2C1 ZINC000133938468 1028082638 /nfs/dbraw/zinc/08/26/38/1028082638.db2.gz JLUXOBPFHQCADA-DLBZAZTESA-N 1 2 328.456 3.602 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)c2C1 ZINC000133938468 1028082644 /nfs/dbraw/zinc/08/26/44/1028082644.db2.gz JLUXOBPFHQCADA-DLBZAZTESA-N 1 2 328.456 3.602 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000246265500 1028114424 /nfs/dbraw/zinc/11/44/24/1028114424.db2.gz POMCWJYLEFKSKM-KGLIPLIRSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000246265500 1028114446 /nfs/dbraw/zinc/11/44/46/1028114446.db2.gz POMCWJYLEFKSKM-KGLIPLIRSA-N 1 2 349.525 3.697 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCn1cc[nH+]c1)CCC2 ZINC000134512927 1028128332 /nfs/dbraw/zinc/12/83/32/1028128332.db2.gz FSQJSABZVSDVDY-LJQANCHMSA-N 1 2 340.471 3.773 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1OC(F)F ZINC000353721501 1028157029 /nfs/dbraw/zinc/15/70/29/1028157029.db2.gz QHIUTHHGUNUHID-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1OC(F)F ZINC000353721501 1028157036 /nfs/dbraw/zinc/15/70/36/1028157036.db2.gz QHIUTHHGUNUHID-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333584169 1028169912 /nfs/dbraw/zinc/16/99/12/1028169912.db2.gz KLHNDCJBWGIVQU-YLJYHZDGSA-N 1 2 344.503 3.543 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2s1 ZINC000423088164 1028175135 /nfs/dbraw/zinc/17/51/35/1028175135.db2.gz RCNAUBDZRDSOQJ-CYBMUJFWSA-N 1 2 332.454 3.515 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423090680 1028177574 /nfs/dbraw/zinc/17/75/74/1028177574.db2.gz YENSFKJFCBVIGM-KRWDZBQOSA-N 1 2 334.366 3.528 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444706933 1028184002 /nfs/dbraw/zinc/18/40/02/1028184002.db2.gz PGZDPJFBKFMWHW-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444706933 1028184011 /nfs/dbraw/zinc/18/40/11/1028184011.db2.gz PGZDPJFBKFMWHW-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709736 1028189259 /nfs/dbraw/zinc/18/92/59/1028189259.db2.gz RAAKXZNJQUVGLF-LSDHHAIUSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709736 1028189268 /nfs/dbraw/zinc/18/92/68/1028189268.db2.gz RAAKXZNJQUVGLF-LSDHHAIUSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1cc2cc(C[NH2+]Cc3ccccc3S(C)(=O)=O)oc2cc1C ZINC000414506570 1028197003 /nfs/dbraw/zinc/19/70/03/1028197003.db2.gz NMJPTJJZCUDZJQ-UHFFFAOYSA-N 1 2 343.448 3.743 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000444737333 1028206357 /nfs/dbraw/zinc/20/63/57/1028206357.db2.gz BOPMJNQUXWLRTK-CYBMUJFWSA-N 1 2 325.387 3.714 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000444737333 1028206371 /nfs/dbraw/zinc/20/63/71/1028206371.db2.gz BOPMJNQUXWLRTK-CYBMUJFWSA-N 1 2 325.387 3.714 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCNc2cccc(F)c2)c(C)[nH+]1 ZINC000455493455 1028224043 /nfs/dbraw/zinc/22/40/43/1028224043.db2.gz MBIWRXNVLSJFDH-UHFFFAOYSA-N 1 2 330.407 3.770 20 0 EHADLO CC(C)(C)Cc1nc2cc(NC(=O)[C@@H]([NH3+])c3cscn3)ccc2o1 ZINC000423164709 1028235869 /nfs/dbraw/zinc/23/58/69/1028235869.db2.gz OYOSZLOIQUGSHR-HNNXBMFYSA-N 1 2 344.440 3.511 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455486423 1028253591 /nfs/dbraw/zinc/25/35/91/1028253591.db2.gz RWGZMFPXCAMBJV-NSHDSACASA-N 1 2 335.860 3.850 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2=CC[C@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000455491608 1028262230 /nfs/dbraw/zinc/26/22/30/1028262230.db2.gz YRIJOMIIGIKYIM-HOTGVXAUSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cnn(-c3ccccc3)c2)c(C)[nH+]1 ZINC000455491559 1028262814 /nfs/dbraw/zinc/26/28/14/1028262814.db2.gz YLOHTFLMRJJILA-UHFFFAOYSA-N 1 2 349.438 3.557 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000455502213 1028277668 /nfs/dbraw/zinc/27/76/68/1028277668.db2.gz UWYQHEKQKONIID-UHFFFAOYSA-N 1 2 344.362 3.804 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455511652 1028289405 /nfs/dbraw/zinc/28/94/05/1028289405.db2.gz HRORQBLRMMDEGC-INIZCTEOSA-N 1 2 347.846 3.905 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680763 1028307774 /nfs/dbraw/zinc/30/77/74/1028307774.db2.gz DLNDAQFMHLOBHU-RDJZCZTQSA-N 1 2 326.843 3.921 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680763 1028307789 /nfs/dbraw/zinc/30/77/89/1028307789.db2.gz DLNDAQFMHLOBHU-RDJZCZTQSA-N 1 2 326.843 3.921 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137332342 1028310571 /nfs/dbraw/zinc/31/05/71/1028310571.db2.gz SKQZQJZWBLJFSR-OAHLLOKOSA-N 1 2 340.427 3.730 20 0 EHADLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(F)cc1F ZINC000455535809 1028314312 /nfs/dbraw/zinc/31/43/12/1028314312.db2.gz BKVVSESKVDMOSC-QGZVFWFLSA-N 1 2 333.382 3.927 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(OC)cc1 ZINC000523419613 1028319430 /nfs/dbraw/zinc/31/94/30/1028319430.db2.gz MYAJXDWQFMKQMH-QGZVFWFLSA-N 1 2 338.411 3.924 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000582948207 1028334421 /nfs/dbraw/zinc/33/44/21/1028334421.db2.gz DUTQFKWYAZPTQK-GOSISDBHSA-N 1 2 341.411 3.554 20 0 EHADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000056895078 1028345247 /nfs/dbraw/zinc/34/52/47/1028345247.db2.gz IFCRKDYCHMFKAI-HXUWFJFHSA-N 1 2 346.434 3.701 20 0 EHADLO CC[C@@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccc(OC)c(OC)c1 ZINC000421358820 1028346765 /nfs/dbraw/zinc/34/67/65/1028346765.db2.gz UZTLHOPXPOTTDY-CYBMUJFWSA-N 1 2 337.851 3.640 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000532707758 1028382958 /nfs/dbraw/zinc/38/29/58/1028382958.db2.gz IIGDSISROYKQNJ-UHFFFAOYSA-N 1 2 333.391 3.584 20 0 EHADLO CCC[C@H]([NH2+]Cc1c(Br)cnn1C)c1cc(C)ccn1 ZINC000631686436 1028400735 /nfs/dbraw/zinc/40/07/35/1028400735.db2.gz LHCRJJWTSWAAPF-ZDUSSCGKSA-N 1 2 337.265 3.517 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000193736185 1028459231 /nfs/dbraw/zinc/45/92/31/1028459231.db2.gz WAOLVBGTJGJWCG-HNNXBMFYSA-N 1 2 339.468 3.678 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000193736185 1028459239 /nfs/dbraw/zinc/45/92/39/1028459239.db2.gz WAOLVBGTJGJWCG-HNNXBMFYSA-N 1 2 339.468 3.678 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2c[nH]c3c2cccc3C)c[nH+]1 ZINC000455564943 1028482813 /nfs/dbraw/zinc/48/28/13/1028482813.db2.gz VYKHDGHLBCWEGR-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000071898985 1028491677 /nfs/dbraw/zinc/49/16/77/1028491677.db2.gz DEKFFFSSVYNTRZ-INIZCTEOSA-N 1 2 346.434 3.592 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc2c1CCC2 ZINC000194349201 1028509363 /nfs/dbraw/zinc/50/93/63/1028509363.db2.gz GHEAYXLTFQKQNG-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO Cc1cc(Br)c(C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000421577996 1028572633 /nfs/dbraw/zinc/57/26/33/1028572633.db2.gz GTPNOAPEYHDFHE-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(CNC(=O)C2(c3ccccc3F)CCCC2)cc(C)[nH+]1 ZINC000421554604 1028554240 /nfs/dbraw/zinc/55/42/40/1028554240.db2.gz GNQFTRBFIZQBLQ-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO CCCC[N@H+](Cc1ccccc1Cl)CC1(CS(C)(=O)=O)CC1 ZINC000502686168 1028558467 /nfs/dbraw/zinc/55/84/67/1028558467.db2.gz XHCZXAYYIBSQMP-UHFFFAOYSA-N 1 2 343.920 3.767 20 0 EHADLO CCCC[N@@H+](Cc1ccccc1Cl)CC1(CS(C)(=O)=O)CC1 ZINC000502686168 1028558477 /nfs/dbraw/zinc/55/84/77/1028558477.db2.gz XHCZXAYYIBSQMP-UHFFFAOYSA-N 1 2 343.920 3.767 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000455571426 1028567265 /nfs/dbraw/zinc/56/72/65/1028567265.db2.gz NEHMRHDUXCLWQB-IBGZPJMESA-N 1 2 337.467 3.960 20 0 EHADLO Cc1cc(CNC(=O)Cc2ccc(C)c(Br)c2)cc(C)[nH+]1 ZINC000421580078 1028574479 /nfs/dbraw/zinc/57/44/79/1028574479.db2.gz VNTUMQIOIZHISO-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000073986288 1028588704 /nfs/dbraw/zinc/58/87/04/1028588704.db2.gz PHZLEXGPEOLLEN-AWEZNQCLSA-N 1 2 340.423 3.529 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000073986288 1028588718 /nfs/dbraw/zinc/58/87/18/1028588718.db2.gz PHZLEXGPEOLLEN-AWEZNQCLSA-N 1 2 340.423 3.529 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2[nH+]1 ZINC000074819746 1028634282 /nfs/dbraw/zinc/63/42/82/1028634282.db2.gz NZVNSWDUNKCJKQ-UHFFFAOYSA-N 1 2 341.436 3.551 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2[nH+]1 ZINC000074819750 1028634358 /nfs/dbraw/zinc/63/43/58/1028634358.db2.gz MWLBPLDGFFVKRP-UHFFFAOYSA-N 1 2 329.425 3.597 20 0 EHADLO CC1(C)C[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000504422009 1028638515 /nfs/dbraw/zinc/63/85/15/1028638515.db2.gz NYXUGWDVFSSNCD-DOMZBBRYSA-N 1 2 338.854 3.778 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454301641 1028679377 /nfs/dbraw/zinc/67/93/77/1028679377.db2.gz LUFLIVYAUCGHJZ-INIZCTEOSA-N 1 2 342.487 3.598 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246893258 1028710076 /nfs/dbraw/zinc/71/00/76/1028710076.db2.gz BGPQVQCJUAYJKO-SCTDSRPQSA-N 1 2 325.456 3.795 20 0 EHADLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000532749680 1028767059 /nfs/dbraw/zinc/76/70/59/1028767059.db2.gz JJBIXFYOVIWCMQ-UHFFFAOYSA-N 1 2 330.771 3.842 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000532749680 1028767073 /nfs/dbraw/zinc/76/70/73/1028767073.db2.gz JJBIXFYOVIWCMQ-UHFFFAOYSA-N 1 2 330.771 3.842 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H](C)CC2)c(=S)n1C ZINC000052085790 1028773113 /nfs/dbraw/zinc/77/31/13/1028773113.db2.gz AJRZRFIEAHUEDV-CQSZACIVSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H](C)CC2)c(=S)n1C ZINC000052085790 1028773130 /nfs/dbraw/zinc/77/31/30/1028773130.db2.gz AJRZRFIEAHUEDV-CQSZACIVSA-N 1 2 346.500 3.706 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532752631 1028773182 /nfs/dbraw/zinc/77/31/82/1028773182.db2.gz NIFSRNVFHFHZFJ-DNVCBOLYSA-N 1 2 342.487 3.929 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000247368483 1028783360 /nfs/dbraw/zinc/78/33/60/1028783360.db2.gz HPDKGOFJUITNMS-LZWOXQAQSA-N 1 2 334.489 3.520 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000247411248 1028787015 /nfs/dbraw/zinc/78/70/15/1028787015.db2.gz CJPTZPIJBANUKF-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000247411248 1028787028 /nfs/dbraw/zinc/78/70/28/1028787028.db2.gz CJPTZPIJBANUKF-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@@H](C)CC(=O)Nc2ccccc2)no1 ZINC000502892889 1028790892 /nfs/dbraw/zinc/79/08/92/1028790892.db2.gz NIRGZTKUMBXOTK-HNNXBMFYSA-N 1 2 344.459 3.651 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@@H](C)CC(=O)Nc2ccccc2)no1 ZINC000502892889 1028790908 /nfs/dbraw/zinc/79/09/08/1028790908.db2.gz NIRGZTKUMBXOTK-HNNXBMFYSA-N 1 2 344.459 3.651 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000153827717 1028794425 /nfs/dbraw/zinc/79/44/25/1028794425.db2.gz YMJXPYHVZJUMEB-CZUORRHYSA-N 1 2 345.468 3.684 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000079510875 1028800576 /nfs/dbraw/zinc/80/05/76/1028800576.db2.gz DAKJQUACRXRVCK-GFCCVEGCSA-N 1 2 341.415 3.532 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000247553083 1028802934 /nfs/dbraw/zinc/80/29/34/1028802934.db2.gz KNHMZFZXQNPENC-PBEJRMEISA-N 1 2 337.467 3.587 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000153837810 1028805666 /nfs/dbraw/zinc/80/56/66/1028805666.db2.gz HSPWSZQMVKQQNF-MRXNPFEDSA-N 1 2 340.471 3.740 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)c1ccncc1Cl)c1nnc2ccccn21 ZINC000421824249 1028813099 /nfs/dbraw/zinc/81/30/99/1028813099.db2.gz HRWYMCSLKZLFHL-WFASDCNBSA-N 1 2 329.835 3.970 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000424152382 1028838659 /nfs/dbraw/zinc/83/86/59/1028838659.db2.gz JJUGXTKUABZFPN-UHFFFAOYSA-N 1 2 349.500 3.789 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2c(F)cc(C)cc2F)c(C)c1 ZINC000424131208 1028847508 /nfs/dbraw/zinc/84/75/08/1028847508.db2.gz IMXODLUDEUUHEL-UHFFFAOYSA-N 1 2 332.394 3.927 20 0 EHADLO COCCOc1cc(C)ccc1C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424157029 1028847978 /nfs/dbraw/zinc/84/79/78/1028847978.db2.gz QHWWNRVOVFYJPH-UHFFFAOYSA-N 1 2 335.394 3.897 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000424195867 1028883699 /nfs/dbraw/zinc/88/36/99/1028883699.db2.gz UANWMHNCDDEEFG-AWEZNQCLSA-N 1 2 328.243 3.594 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)ccc2[nH+]1 ZINC000524131096 1028912455 /nfs/dbraw/zinc/91/24/55/1028912455.db2.gz DLXGBKSXZXQTFR-WMLDXEAASA-N 1 2 344.459 3.606 20 0 EHADLO C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000248585903 1028923197 /nfs/dbraw/zinc/92/31/97/1028923197.db2.gz PYERHKVEDSZNCW-AXBCGAQBSA-N 1 2 328.437 3.598 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(F)c1Cl ZINC000079610308 1028928438 /nfs/dbraw/zinc/92/84/38/1028928438.db2.gz RTBHCBPDIVMSNZ-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC(C)(C)c3ccccc3C)[nH+]c12 ZINC000524162320 1028930553 /nfs/dbraw/zinc/93/05/53/1028930553.db2.gz SFVWWWINKGDHDL-UHFFFAOYSA-N 1 2 335.451 3.588 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245628387 1028939823 /nfs/dbraw/zinc/93/98/23/1028939823.db2.gz ZDEVNPIJFLRISG-IAGOWNOFSA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245628387 1028939836 /nfs/dbraw/zinc/93/98/36/1028939836.db2.gz ZDEVNPIJFLRISG-IAGOWNOFSA-N 1 2 349.837 3.681 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000248873721 1028960391 /nfs/dbraw/zinc/96/03/91/1028960391.db2.gz QVPSLECVBWQYSB-ABSDTBQOSA-N 1 2 337.467 3.521 20 0 EHADLO O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343073553 1028970800 /nfs/dbraw/zinc/97/08/00/1028970800.db2.gz USEOLEDREFOUNF-GOSISDBHSA-N 1 2 349.459 3.898 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3c3ccncc3)nn2)cc1 ZINC000154025103 1028979077 /nfs/dbraw/zinc/97/90/77/1028979077.db2.gz CJZCUDBPWMFDPX-GOSISDBHSA-N 1 2 339.830 3.653 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3c3ccncc3)nn2)cc1 ZINC000154025103 1028979095 /nfs/dbraw/zinc/97/90/95/1028979095.db2.gz CJZCUDBPWMFDPX-GOSISDBHSA-N 1 2 339.830 3.653 20 0 EHADLO Cc1cc(N2CCC[C@H](CO)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000524199349 1028980715 /nfs/dbraw/zinc/98/07/15/1028980715.db2.gz WJNOTKMBYJXAAU-LBPRGKRZSA-N 1 2 340.345 3.651 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000504874073 1029008309 /nfs/dbraw/zinc/00/83/09/1029008309.db2.gz BXGHTVVTAVGART-ZJPYXAASSA-N 1 2 343.515 3.875 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000504874072 1029008397 /nfs/dbraw/zinc/00/83/97/1029008397.db2.gz BXGHTVVTAVGART-TVFCKZIOSA-N 1 2 343.515 3.875 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000532893869 1029014933 /nfs/dbraw/zinc/01/49/33/1029014933.db2.gz NECCCRVHTTWDRS-LJQANCHMSA-N 1 2 325.383 3.829 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000532893869 1029014948 /nfs/dbraw/zinc/01/49/48/1029014948.db2.gz NECCCRVHTTWDRS-LJQANCHMSA-N 1 2 325.383 3.829 20 0 EHADLO CC(=O)Oc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001212070928 1029021634 /nfs/dbraw/zinc/02/16/34/1029021634.db2.gz NWBGXMWSLCTGQX-UHFFFAOYSA-N 1 2 346.184 3.766 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C\c2cccs2)c1)[NH+]1CCOCC1 ZINC000729408183 1029052289 /nfs/dbraw/zinc/05/22/89/1029052289.db2.gz BBJDLLYYBPZWFI-LZNQSLFOSA-N 1 2 342.464 3.793 20 0 EHADLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422066340 1029053868 /nfs/dbraw/zinc/05/38/68/1029053868.db2.gz MDXCGZDJVVSILC-SFHVURJKSA-N 1 2 346.434 3.676 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1F ZINC000532920163 1029072052 /nfs/dbraw/zinc/07/20/52/1029072052.db2.gz MVMKOUDFXMDSNH-HUUCEWRRSA-N 1 2 326.415 3.624 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccccc1F ZINC000532920163 1029072069 /nfs/dbraw/zinc/07/20/69/1029072069.db2.gz MVMKOUDFXMDSNH-HUUCEWRRSA-N 1 2 326.415 3.624 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000532920038 1029072295 /nfs/dbraw/zinc/07/22/95/1029072295.db2.gz GABVPGOCLAFYBT-UHFFFAOYSA-N 1 2 342.414 3.828 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000532920038 1029072307 /nfs/dbraw/zinc/07/23/07/1029072307.db2.gz GABVPGOCLAFYBT-UHFFFAOYSA-N 1 2 342.414 3.828 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(F)c2ccccc21 ZINC000614901397 1029082967 /nfs/dbraw/zinc/08/29/67/1029082967.db2.gz GLGAQHWLCWWFRB-JCURWCKSSA-N 1 2 337.398 3.693 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245710472 1029102269 /nfs/dbraw/zinc/10/22/69/1029102269.db2.gz FEJYQOYGWMQGRW-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245710472 1029102276 /nfs/dbraw/zinc/10/22/76/1029102276.db2.gz FEJYQOYGWMQGRW-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4nc(C5CC5)oc4c3)[nH+]c12 ZINC000079727000 1029113413 /nfs/dbraw/zinc/11/34/13/1029113413.db2.gz ZQYGULUOZXHPDC-UHFFFAOYSA-N 1 2 346.390 3.843 20 0 EHADLO C[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)CC1 ZINC000524383037 1029128878 /nfs/dbraw/zinc/12/88/78/1029128878.db2.gz JZJZQSBZZISTDR-UHFFFAOYSA-N 1 2 340.492 3.636 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000092143920 1029246068 /nfs/dbraw/zinc/24/60/68/1029246068.db2.gz OULYSLSYTAVWOK-MAUKXSAKSA-N 1 2 349.438 3.855 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000114471410 1029263352 /nfs/dbraw/zinc/26/33/52/1029263352.db2.gz URHKLFBNBADOBQ-INIZCTEOSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000114471410 1029263371 /nfs/dbraw/zinc/26/33/71/1029263371.db2.gz URHKLFBNBADOBQ-INIZCTEOSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)(O)C[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000272070513 1029298162 /nfs/dbraw/zinc/29/81/62/1029298162.db2.gz JNLYNYQNDPYVLW-UHFFFAOYSA-N 1 2 343.452 3.571 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000272070513 1029298178 /nfs/dbraw/zinc/29/81/78/1029298178.db2.gz JNLYNYQNDPYVLW-UHFFFAOYSA-N 1 2 343.452 3.571 20 0 EHADLO C[N@H+](CC1CCCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000533086685 1029312379 /nfs/dbraw/zinc/31/23/79/1029312379.db2.gz UFOOMKBDDISOKY-OAHLLOKOSA-N 1 2 327.877 3.681 20 0 EHADLO C[N@@H+](CC1CCCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000533086685 1029312392 /nfs/dbraw/zinc/31/23/92/1029312392.db2.gz UFOOMKBDDISOKY-OAHLLOKOSA-N 1 2 327.877 3.681 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2oc3ccccc3c2c1)[NH+]1CCSCC1 ZINC000533089794 1029316344 /nfs/dbraw/zinc/31/63/44/1029316344.db2.gz TYGDZNSGVURUKU-ZDUSSCGKSA-N 1 2 340.448 3.962 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524592397 1029344782 /nfs/dbraw/zinc/34/47/82/1029344782.db2.gz KSPPPUUQAFZANO-GFCCVEGCSA-N 1 2 339.304 3.831 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524592397 1029344794 /nfs/dbraw/zinc/34/47/94/1029344794.db2.gz KSPPPUUQAFZANO-GFCCVEGCSA-N 1 2 339.304 3.831 20 0 EHADLO CCC(CC)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000524591071 1029345133 /nfs/dbraw/zinc/34/51/33/1029345133.db2.gz ZGJYISVBUAYHEF-INIZCTEOSA-N 1 2 347.503 3.520 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000424820946 1029364508 /nfs/dbraw/zinc/36/45/08/1029364508.db2.gz MBJYAWQLZROXSF-RYRKJORJSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C)c1cccc2ccccc21 ZINC000446071570 1029387796 /nfs/dbraw/zinc/38/77/96/1029387796.db2.gz JXDRUDPFHXTIHZ-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C)c1cccc2ccccc21 ZINC000446071570 1029387803 /nfs/dbraw/zinc/38/78/03/1029387803.db2.gz JXDRUDPFHXTIHZ-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000079941405 1029392860 /nfs/dbraw/zinc/39/28/60/1029392860.db2.gz SBKASTIQTGJHHC-DOTOQJQBSA-N 1 2 328.460 3.667 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000505249301 1029406141 /nfs/dbraw/zinc/40/61/41/1029406141.db2.gz NPARVKFAYDCXGE-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000505249301 1029406146 /nfs/dbraw/zinc/40/61/46/1029406146.db2.gz NPARVKFAYDCXGE-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO C[C@@](O)(C[NH2+][C@@H](CCc1ccccc1)C(F)F)c1cccs1 ZINC000272348565 1029427501 /nfs/dbraw/zinc/42/75/01/1029427501.db2.gz ODVGYLALLHGMRP-WMLDXEAASA-N 1 2 325.424 3.812 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1-n1cc[nH+]c1 ZINC000065737789 1029440802 /nfs/dbraw/zinc/44/08/02/1029440802.db2.gz CVQXWQGDXKBWKM-UHFFFAOYSA-N 1 2 345.446 3.610 20 0 EHADLO Cc1ccc2cccc(NC(=O)NCCCNc3cccc[nH+]3)c2n1 ZINC000114578641 1029458114 /nfs/dbraw/zinc/45/81/14/1029458114.db2.gz GELWUBVYDRTBCR-UHFFFAOYSA-N 1 2 335.411 3.562 20 0 EHADLO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(O)c1OC ZINC000272614376 1029534434 /nfs/dbraw/zinc/53/44/34/1029534434.db2.gz KYCPXMNQUZGIQW-ZDUSSCGKSA-N 1 2 325.412 3.621 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC000434300817 1029555044 /nfs/dbraw/zinc/55/50/44/1029555044.db2.gz ONRTVDOAOHPGAR-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Br ZINC000434300817 1029555049 /nfs/dbraw/zinc/55/50/49/1029555049.db2.gz ONRTVDOAOHPGAR-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1OC ZINC000125865272 1029625282 /nfs/dbraw/zinc/62/52/82/1029625282.db2.gz UNZNBNUNWPOFIM-IBGZPJMESA-N 1 2 337.423 3.696 20 0 EHADLO CCOc1c(F)cccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079602811 1029677443 /nfs/dbraw/zinc/67/74/43/1029677443.db2.gz KXMNSMBUDTYUNU-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000126185952 1029678358 /nfs/dbraw/zinc/67/83/58/1029678358.db2.gz GSFQBGNUFWKUTQ-MJGOQNOKSA-N 1 2 337.467 3.805 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000525102575 1029685478 /nfs/dbraw/zinc/68/54/78/1029685478.db2.gz VAHLWVMWHLJPHG-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000079701217 1029698105 /nfs/dbraw/zinc/69/81/05/1029698105.db2.gz MTJDHWQHRBLTCL-NXEZZACHSA-N 1 2 335.395 3.512 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000079701217 1029698108 /nfs/dbraw/zinc/69/81/08/1029698108.db2.gz MTJDHWQHRBLTCL-NXEZZACHSA-N 1 2 335.395 3.512 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc2c(c1)OCO2 ZINC000007639209 1029713207 /nfs/dbraw/zinc/71/32/07/1029713207.db2.gz KWOZFNSPSFPOCX-UHFFFAOYSA-N 1 2 348.402 3.639 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc2c(c1)OCO2 ZINC000007639209 1029713214 /nfs/dbraw/zinc/71/32/14/1029713214.db2.gz KWOZFNSPSFPOCX-UHFFFAOYSA-N 1 2 348.402 3.639 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc2ccsc2c1 ZINC000525139969 1029714753 /nfs/dbraw/zinc/71/47/53/1029714753.db2.gz BOUJSXDOYRXWDX-UHFFFAOYSA-N 1 2 338.367 3.873 20 0 EHADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000583377678 1029742262 /nfs/dbraw/zinc/74/22/62/1029742262.db2.gz YXEVUWJDDZMZJZ-OLZOCXBDSA-N 1 2 337.370 3.685 20 0 EHADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000583377678 1029742271 /nfs/dbraw/zinc/74/22/71/1029742271.db2.gz YXEVUWJDDZMZJZ-OLZOCXBDSA-N 1 2 337.370 3.685 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536012469 1029772789 /nfs/dbraw/zinc/77/27/89/1029772789.db2.gz LEFKXAKDHXJOME-INIZCTEOSA-N 1 2 337.533 3.790 20 0 EHADLO COc1ccc2cccc(-c3noc([C@H]4CC[NH2+]CC4(F)F)n3)c2c1 ZINC001211579378 1029775069 /nfs/dbraw/zinc/77/50/69/1029775069.db2.gz CAYWNYPMTCVSPZ-OAHLLOKOSA-N 1 2 345.349 3.611 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000343222020 1029798235 /nfs/dbraw/zinc/79/82/35/1029798235.db2.gz DVAVFKUAPFHFDG-UHFFFAOYSA-N 1 2 345.809 3.572 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536017693 1029801106 /nfs/dbraw/zinc/80/11/06/1029801106.db2.gz MSXHWVUWRSMUHQ-OAHLLOKOSA-N 1 2 337.533 3.790 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1Cl ZINC000508727766 1029839185 /nfs/dbraw/zinc/83/91/85/1029839185.db2.gz UFMABMOOLCKGGD-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1Cl ZINC000508727766 1029839190 /nfs/dbraw/zinc/83/91/90/1029839190.db2.gz UFMABMOOLCKGGD-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO Cc1cnc(OC(C)C)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000455703123 1029850102 /nfs/dbraw/zinc/85/01/02/1029850102.db2.gz BCDQYGLSXRNLPG-UHFFFAOYSA-N 1 2 328.416 3.511 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)Cc3ccccc31)C2 ZINC000475648518 1029884520 /nfs/dbraw/zinc/88/45/20/1029884520.db2.gz UTGRYIOTXVOQOB-GOEBONIOSA-N 1 2 337.467 3.863 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)Cc3ccccc31)CC2 ZINC000475648518 1029884525 /nfs/dbraw/zinc/88/45/25/1029884525.db2.gz UTGRYIOTXVOQOB-GOEBONIOSA-N 1 2 337.467 3.863 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(F)c1 ZINC000469996929 1029885230 /nfs/dbraw/zinc/88/52/30/1029885230.db2.gz SWLUTRBEFIDUDI-ZDUSSCGKSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(F)c1 ZINC000469996929 1029885239 /nfs/dbraw/zinc/88/52/39/1029885239.db2.gz SWLUTRBEFIDUDI-ZDUSSCGKSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156604808 1029887548 /nfs/dbraw/zinc/88/75/48/1029887548.db2.gz QIUAZNDFKAVZOR-KDOFPFPSSA-N 1 2 344.842 3.594 20 0 EHADLO CC1CC[NH+](Cc2nc(COc3ccc(F)c(Cl)c3)no2)CC1 ZINC000453204040 1029907409 /nfs/dbraw/zinc/90/74/09/1029907409.db2.gz BIQHDQKIBKLTOQ-UHFFFAOYSA-N 1 2 339.798 3.673 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](C)C3(C(N)=O)CCCC3)cs2)cc1 ZINC000120207152 1029947807 /nfs/dbraw/zinc/94/78/07/1029947807.db2.gz YXUCMBVXFKXLEY-UHFFFAOYSA-N 1 2 343.496 3.602 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](C)C3(C(N)=O)CCCC3)cs2)cc1 ZINC000120207152 1029947824 /nfs/dbraw/zinc/94/78/24/1029947824.db2.gz YXUCMBVXFKXLEY-UHFFFAOYSA-N 1 2 343.496 3.602 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCc2csc(-c3ccccc3)n2)[nH+]1 ZINC000481810351 1029997523 /nfs/dbraw/zinc/99/75/23/1029997523.db2.gz DSVWDPPXNKBZGN-UHFFFAOYSA-N 1 2 335.436 3.996 20 0 EHADLO CCC[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccsc1 ZINC000453303139 1030070479 /nfs/dbraw/zinc/07/04/79/1030070479.db2.gz BGIYJVHMHAUXHW-LBPRGKRZSA-N 1 2 328.279 3.875 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120760515 1030084576 /nfs/dbraw/zinc/08/45/76/1030084576.db2.gz AGUJNJBZCUQOOT-VQTJNVASSA-N 1 2 338.451 3.576 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631352 1030090009 /nfs/dbraw/zinc/09/00/09/1030090009.db2.gz LNCDPHFGIDXMDV-UONOGXRCSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631352 1030090024 /nfs/dbraw/zinc/09/00/24/1030090024.db2.gz LNCDPHFGIDXMDV-UONOGXRCSA-N 1 2 342.386 3.698 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000090450283 1030115322 /nfs/dbraw/zinc/11/53/22/1030115322.db2.gz MKMQBPCMFBRIHP-STQMWFEESA-N 1 2 328.366 3.957 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cn1 ZINC000428479160 1030124276 /nfs/dbraw/zinc/12/42/76/1030124276.db2.gz JPDUUNFHDSNXMU-RYUDHWBXSA-N 1 2 331.370 3.942 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)C2CCCC2)o1 ZINC000453342049 1030126603 /nfs/dbraw/zinc/12/66/03/1030126603.db2.gz FLYJEYZVCONIBM-SFHVURJKSA-N 1 2 337.427 3.789 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(F)c(Cl)c1 ZINC000156922253 1030136268 /nfs/dbraw/zinc/13/62/68/1030136268.db2.gz ZGBOSKJFMWHVNS-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cccc(Br)c2Cl)n1 ZINC000631160113 1030151751 /nfs/dbraw/zinc/15/17/51/1030151751.db2.gz BQJYBNKANAAFAI-UHFFFAOYSA-N 1 2 328.641 3.609 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000052439979 1030154724 /nfs/dbraw/zinc/15/47/24/1030154724.db2.gz UNYZHLAJNHMMRU-CQSZACIVSA-N 1 2 326.234 3.749 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000052439979 1030154729 /nfs/dbraw/zinc/15/47/29/1030154729.db2.gz UNYZHLAJNHMMRU-CQSZACIVSA-N 1 2 326.234 3.749 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)n1 ZINC000447396232 1030165421 /nfs/dbraw/zinc/16/54/21/1030165421.db2.gz JVYLAFKNQOAOCJ-KRWDZBQOSA-N 1 2 349.482 3.723 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)n1 ZINC000447396232 1030165425 /nfs/dbraw/zinc/16/54/25/1030165425.db2.gz JVYLAFKNQOAOCJ-KRWDZBQOSA-N 1 2 349.482 3.723 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(C(=O)c2ccccc2)c1)n1cc[nH+]c1 ZINC001125682047 1030198813 /nfs/dbraw/zinc/19/88/13/1030198813.db2.gz FPHZEAJWYQAVPF-OAHLLOKOSA-N 1 2 333.391 3.704 20 0 EHADLO COC[C@@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1ccco1 ZINC000278338042 1030240541 /nfs/dbraw/zinc/24/05/41/1030240541.db2.gz BSRGSBSVGMUGGY-LJQANCHMSA-N 1 2 338.407 3.731 20 0 EHADLO CC(C)Cc1noc(C[N@H+](C)CCCOc2ccc(Cl)cc2)n1 ZINC000059393236 1030257616 /nfs/dbraw/zinc/25/76/16/1030257616.db2.gz NTQMWNSYGKWUOZ-UHFFFAOYSA-N 1 2 337.851 3.822 20 0 EHADLO CC(C)Cc1noc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)n1 ZINC000059393236 1030257634 /nfs/dbraw/zinc/25/76/34/1030257634.db2.gz NTQMWNSYGKWUOZ-UHFFFAOYSA-N 1 2 337.851 3.822 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000525977765 1030263659 /nfs/dbraw/zinc/26/36/59/1030263659.db2.gz IABHYRKDFGTIKD-CZUORRHYSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000525977765 1030263674 /nfs/dbraw/zinc/26/36/74/1030263674.db2.gz IABHYRKDFGTIKD-CZUORRHYSA-N 1 2 339.863 3.691 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000091703984 1030292359 /nfs/dbraw/zinc/29/23/59/1030292359.db2.gz NKVPCTUJXUVZGE-QGZVFWFLSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000091703984 1030292371 /nfs/dbraw/zinc/29/23/71/1030292371.db2.gz NKVPCTUJXUVZGE-QGZVFWFLSA-N 1 2 339.483 3.902 20 0 EHADLO CC(C)c1nnc(CNc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000892346323 1030303839 /nfs/dbraw/zinc/30/38/39/1030303839.db2.gz HRRNZELQTQJXOD-UHFFFAOYSA-N 1 2 343.456 3.549 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C2CC2)c1 ZINC000583640052 1030343451 /nfs/dbraw/zinc/34/34/51/1030343451.db2.gz ZUJGHTYLXPLKBJ-UHFFFAOYSA-N 1 2 345.446 3.781 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2nccn2C(F)F)s1 ZINC000453585535 1030376689 /nfs/dbraw/zinc/37/66/89/1030376689.db2.gz IOMVTGGGDBXAIW-UHFFFAOYSA-N 1 2 336.205 3.700 20 0 EHADLO CC[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)Oc1cccc(C)c1 ZINC000583663693 1030402598 /nfs/dbraw/zinc/40/25/98/1030402598.db2.gz QROBWEDMHXEUOK-MRXNPFEDSA-N 1 2 338.411 3.622 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000526084002 1030407303 /nfs/dbraw/zinc/40/73/03/1030407303.db2.gz ZQQHUZNFESRNKX-UHFFFAOYSA-N 1 2 335.451 3.962 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1cncn1Cc1ccccc1 ZINC000526084002 1030407312 /nfs/dbraw/zinc/40/73/12/1030407312.db2.gz ZQQHUZNFESRNKX-UHFFFAOYSA-N 1 2 335.451 3.962 20 0 EHADLO Cc1ccccc1-c1nc(COc2ccccc2-n2cc[nH+]c2)no1 ZINC000532109066 1030407440 /nfs/dbraw/zinc/40/74/40/1030407440.db2.gz WRMCCGLAYQCZER-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO Cc1nn2c(C[N@@H+]3Cc4sccc4CC3(C)C)c(C)nc2s1 ZINC000453617719 1030408072 /nfs/dbraw/zinc/40/80/72/1030408072.db2.gz ILSVENKILKRBQH-UHFFFAOYSA-N 1 2 332.498 3.806 20 0 EHADLO Cc1nn2c(C[N@H+]3Cc4sccc4CC3(C)C)c(C)nc2s1 ZINC000453617719 1030408081 /nfs/dbraw/zinc/40/80/81/1030408081.db2.gz ILSVENKILKRBQH-UHFFFAOYSA-N 1 2 332.498 3.806 20 0 EHADLO Clc1ccc(OCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000526295946 1030458392 /nfs/dbraw/zinc/45/83/92/1030458392.db2.gz CPJLMGANKXHXHR-KRWDZBQOSA-N 1 2 342.830 3.606 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000532168391 1030459663 /nfs/dbraw/zinc/45/96/63/1030459663.db2.gz LAMQEZPXYPAGJP-INIZCTEOSA-N 1 2 347.503 3.942 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000532168391 1030459669 /nfs/dbraw/zinc/45/96/69/1030459669.db2.gz LAMQEZPXYPAGJP-INIZCTEOSA-N 1 2 347.503 3.942 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000668067273 1030508599 /nfs/dbraw/zinc/50/85/99/1030508599.db2.gz IHXBWEMHXRUZIS-QMMMGPOBSA-N 1 2 341.146 3.758 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000668067273 1030508617 /nfs/dbraw/zinc/50/86/17/1030508617.db2.gz IHXBWEMHXRUZIS-QMMMGPOBSA-N 1 2 341.146 3.758 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccs3)C2)o1 ZINC000092593554 1030489144 /nfs/dbraw/zinc/48/91/44/1030489144.db2.gz CSOVBGRNXHKATL-HNNXBMFYSA-N 1 2 329.425 3.613 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccs3)C2)o1 ZINC000092593554 1030489156 /nfs/dbraw/zinc/48/91/56/1030489156.db2.gz CSOVBGRNXHKATL-HNNXBMFYSA-N 1 2 329.425 3.613 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC000482512772 1030497019 /nfs/dbraw/zinc/49/70/19/1030497019.db2.gz PZQQQFNDOHFSFI-UHFFFAOYSA-N 1 2 343.471 3.799 20 0 EHADLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccoc1 ZINC000532232432 1030500081 /nfs/dbraw/zinc/50/00/81/1030500081.db2.gz PIHZFVLGBKLNPB-ZDUSSCGKSA-N 1 2 341.436 3.517 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)s1 ZINC000447896386 1030576951 /nfs/dbraw/zinc/57/69/51/1030576951.db2.gz JDMJWIQWGRFXCR-UHFFFAOYSA-N 1 2 330.453 3.948 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC(c2ccc(O)cc2)CC1)n1cc[nH+]c1 ZINC000635172410 1030580956 /nfs/dbraw/zinc/58/09/56/1030580956.db2.gz ZVGRRNZXEMKMTH-LJQANCHMSA-N 1 2 341.455 3.582 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613211090 1030585823 /nfs/dbraw/zinc/58/58/23/1030585823.db2.gz USUUDXLLZBCLGW-ZDUSSCGKSA-N 1 2 343.381 3.601 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613211090 1030585830 /nfs/dbraw/zinc/58/58/30/1030585830.db2.gz USUUDXLLZBCLGW-ZDUSSCGKSA-N 1 2 343.381 3.601 20 0 EHADLO C[N@H+](Cc1cc2cc(F)ccc2o1)Cc1nc(-c2cccnc2)no1 ZINC000093365316 1030595031 /nfs/dbraw/zinc/59/50/31/1030595031.db2.gz OVFAIDJZXQJFSK-UHFFFAOYSA-N 1 2 338.342 3.649 20 0 EHADLO C[N@@H+](Cc1cc2cc(F)ccc2o1)Cc1nc(-c2cccnc2)no1 ZINC000093365316 1030595044 /nfs/dbraw/zinc/59/50/44/1030595044.db2.gz OVFAIDJZXQJFSK-UHFFFAOYSA-N 1 2 338.342 3.649 20 0 EHADLO C[N@H+](C/C=C\c1ccc(Cl)cc1)Cc1nc(-c2cccnc2)no1 ZINC000527048676 1030603774 /nfs/dbraw/zinc/60/37/74/1030603774.db2.gz SBXIJNWDLCRGFE-ARJAWSKDSA-N 1 2 340.814 3.930 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(Cl)cc1)Cc1nc(-c2cccnc2)no1 ZINC000527048676 1030603781 /nfs/dbraw/zinc/60/37/81/1030603781.db2.gz SBXIJNWDLCRGFE-ARJAWSKDSA-N 1 2 340.814 3.930 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1OCc1cccs1 ZINC000093418432 1030607534 /nfs/dbraw/zinc/60/75/34/1030607534.db2.gz HAGWGJVHSYZOOC-HUUCEWRRSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1OCc1cccs1 ZINC000093418432 1030607543 /nfs/dbraw/zinc/60/75/43/1030607543.db2.gz HAGWGJVHSYZOOC-HUUCEWRRSA-N 1 2 347.480 3.945 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637366 1030644137 /nfs/dbraw/zinc/64/41/37/1030644137.db2.gz UGZGFMLFIJDPQF-HXUWFJFHSA-N 1 2 345.462 3.931 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637366 1030644146 /nfs/dbraw/zinc/64/41/46/1030644146.db2.gz UGZGFMLFIJDPQF-HXUWFJFHSA-N 1 2 345.462 3.931 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](CCOC)Cc2ccc(C)o2)s1 ZINC000093707120 1030664430 /nfs/dbraw/zinc/66/44/30/1030664430.db2.gz YHOSAZIIHUOYIU-UHFFFAOYSA-N 1 2 337.489 3.539 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](CCOC)Cc2ccc(C)o2)s1 ZINC000093707120 1030664443 /nfs/dbraw/zinc/66/44/43/1030664443.db2.gz YHOSAZIIHUOYIU-UHFFFAOYSA-N 1 2 337.489 3.539 20 0 EHADLO Cn1nccc1[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000448033658 1030672659 /nfs/dbraw/zinc/67/26/59/1030672659.db2.gz YUBXGESPCUANDQ-SJORKVTESA-N 1 2 339.487 3.944 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482740728 1030681286 /nfs/dbraw/zinc/68/12/86/1030681286.db2.gz JSVUIOMSEFQNAR-OAHLLOKOSA-N 1 2 349.780 3.628 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482740728 1030681299 /nfs/dbraw/zinc/68/12/99/1030681299.db2.gz JSVUIOMSEFQNAR-OAHLLOKOSA-N 1 2 349.780 3.628 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1)c1ccccc1 ZINC000170249903 1030686550 /nfs/dbraw/zinc/68/65/50/1030686550.db2.gz GOOXUZQRHAPKGO-SFHVURJKSA-N 1 2 331.419 3.679 20 0 EHADLO O=C(Nc1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000170692380 1030698715 /nfs/dbraw/zinc/69/87/15/1030698715.db2.gz OYJYHBFPUMZRSE-OALUTQOASA-N 1 2 332.407 3.933 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)C2 ZINC000527247398 1030737128 /nfs/dbraw/zinc/73/71/28/1030737128.db2.gz JSKUAHPXJJNQDM-PMPSAXMXSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000527247398 1030737147 /nfs/dbraw/zinc/73/71/47/1030737147.db2.gz JSKUAHPXJJNQDM-PMPSAXMXSA-N 1 2 331.504 3.971 20 0 EHADLO COc1c(F)cc(F)cc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527250304 1030739340 /nfs/dbraw/zinc/73/93/40/1030739340.db2.gz QIUWUXLGRCZZPN-SNVBAGLBSA-N 1 2 349.381 3.564 20 0 EHADLO COc1c(F)cc(F)cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527250304 1030739352 /nfs/dbraw/zinc/73/93/52/1030739352.db2.gz QIUWUXLGRCZZPN-SNVBAGLBSA-N 1 2 349.381 3.564 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000171617340 1030766682 /nfs/dbraw/zinc/76/66/82/1030766682.db2.gz YJLIPHMAMOARHB-OAHLLOKOSA-N 1 2 327.472 3.560 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000171617340 1030766702 /nfs/dbraw/zinc/76/67/02/1030766702.db2.gz YJLIPHMAMOARHB-OAHLLOKOSA-N 1 2 327.472 3.560 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635230512 1030793233 /nfs/dbraw/zinc/79/32/33/1030793233.db2.gz KOWWSVYWSZRHQV-DZGCQCFKSA-N 1 2 339.361 3.905 20 0 EHADLO c1c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)nnn1C1CCC1 ZINC000668159666 1030816516 /nfs/dbraw/zinc/81/65/16/1030816516.db2.gz BTRVLNKXODOAQG-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO c1c(C[N@H+](CCc2ccccc2)Cc2ccncc2)nnn1C1CCC1 ZINC000668159666 1030816538 /nfs/dbraw/zinc/81/65/38/1030816538.db2.gz BTRVLNKXODOAQG-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)NCCCNc1cccc[nH+]1 ZINC000115162300 1030824874 /nfs/dbraw/zinc/82/48/74/1030824874.db2.gz BLVAZRPSSSCJMN-UHFFFAOYSA-N 1 2 349.887 3.587 20 0 EHADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000668173639 1030849180 /nfs/dbraw/zinc/84/91/80/1030849180.db2.gz NFDSXVYTCVVHDA-MOPGFXCFSA-N 1 2 340.471 3.681 20 0 EHADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000668173639 1030849201 /nfs/dbraw/zinc/84/92/01/1030849201.db2.gz NFDSXVYTCVVHDA-MOPGFXCFSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000115395947 1030864794 /nfs/dbraw/zinc/86/47/94/1030864794.db2.gz BMDHGVKOVHNDPV-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSC(C)(C)C)c(C)c1 ZINC000749882710 1030937664 /nfs/dbraw/zinc/93/76/64/1030937664.db2.gz PMWKWXFFLNRCFH-KRWDZBQOSA-N 1 2 345.512 3.889 20 0 EHADLO CS[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000172402958 1030943403 /nfs/dbraw/zinc/94/34/03/1030943403.db2.gz UEDRWNROMFRIDK-GOSISDBHSA-N 1 2 337.448 3.593 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000115985063 1030958161 /nfs/dbraw/zinc/95/81/61/1030958161.db2.gz SVOIJASULKSLBL-LSDHHAIUSA-N 1 2 339.345 3.893 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000483115341 1030978806 /nfs/dbraw/zinc/97/88/06/1030978806.db2.gz XKZOETXVUGNTSD-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000483115341 1030978820 /nfs/dbraw/zinc/97/88/20/1030978820.db2.gz XKZOETXVUGNTSD-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000583869423 1031001011 /nfs/dbraw/zinc/00/10/11/1031001011.db2.gz NQUUZGPBBGJNTB-GOSISDBHSA-N 1 2 333.439 3.555 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000583869423 1031001033 /nfs/dbraw/zinc/00/10/33/1031001033.db2.gz NQUUZGPBBGJNTB-GOSISDBHSA-N 1 2 333.439 3.555 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000483147259 1031001259 /nfs/dbraw/zinc/00/12/59/1031001259.db2.gz RWKUXSTUYGXVHD-SUYBPPKGSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000483147259 1031001280 /nfs/dbraw/zinc/00/12/80/1031001280.db2.gz RWKUXSTUYGXVHD-SUYBPPKGSA-N 1 2 327.827 3.810 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000173145536 1031052782 /nfs/dbraw/zinc/05/27/82/1031052782.db2.gz UTFKPTWOGOSJDT-KNQAVFIVSA-N 1 2 349.478 3.684 20 0 EHADLO Fc1ccc2c(c1Br)C[N@@H+](CCc1cscn1)CC2 ZINC000527625175 1031053502 /nfs/dbraw/zinc/05/35/02/1031053502.db2.gz QLSSLOMQXIOULZ-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO Fc1ccc2c(c1Br)C[N@H+](CCc1cscn1)CC2 ZINC000527625175 1031053519 /nfs/dbraw/zinc/05/35/19/1031053519.db2.gz QLSSLOMQXIOULZ-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1SC(F)(F)F ZINC000924623594 1031055566 /nfs/dbraw/zinc/05/55/66/1031055566.db2.gz IJDUMAVCSRJILG-SNVBAGLBSA-N 1 2 342.390 3.687 20 0 EHADLO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1nnc2ccccn21 ZINC000527634116 1031061340 /nfs/dbraw/zinc/06/13/40/1031061340.db2.gz KYDDTBOXUJUNRC-SECBINFHSA-N 1 2 326.347 3.660 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)o1 ZINC000527641319 1031067556 /nfs/dbraw/zinc/06/75/56/1031067556.db2.gz NGVPMPFEOCWRCU-IAQYHMDHSA-N 1 2 328.441 3.550 20 0 EHADLO Cc1cccn2cc(Cc3nc(Cc4cc5ccccc5o4)no3)[nH+]c12 ZINC000551172329 1031074102 /nfs/dbraw/zinc/07/41/02/1031074102.db2.gz APUREPUNWGYDPY-UHFFFAOYSA-N 1 2 344.374 3.954 20 0 EHADLO Cc1noc(-c2ccccc2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000173363959 1031083661 /nfs/dbraw/zinc/08/36/61/1031083661.db2.gz IMUOQQYWBJNJRA-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000483346339 1031119131 /nfs/dbraw/zinc/11/91/31/1031119131.db2.gz BMXKFZBQZOEEON-OLZOCXBDSA-N 1 2 330.432 3.569 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1Cc1cccc2ccccc21)c1ccco1 ZINC000158155073 1031125955 /nfs/dbraw/zinc/12/59/55/1031125955.db2.gz PEPDQPMQOCBKHP-GOSISDBHSA-N 1 2 335.403 3.907 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1Cc1cccc2ccccc21)c1ccco1 ZINC000158155073 1031125956 /nfs/dbraw/zinc/12/59/56/1031125956.db2.gz PEPDQPMQOCBKHP-GOSISDBHSA-N 1 2 335.403 3.907 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]Cc2cc(F)cc3c2OCOC3)sc1C ZINC000173955543 1031137462 /nfs/dbraw/zinc/13/74/62/1031137462.db2.gz HRLVEOMCPOUFMB-UHFFFAOYSA-N 1 2 336.432 3.790 20 0 EHADLO CCOc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000347231268 1031141147 /nfs/dbraw/zinc/14/11/47/1031141147.db2.gz XQXCOEBGEQBFQE-HNNXBMFYSA-N 1 2 342.443 3.539 20 0 EHADLO C[C@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@@]2(CCCOC2)O1 ZINC000483419012 1031155801 /nfs/dbraw/zinc/15/58/01/1031155801.db2.gz OSFQUAOOFAZDPH-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@@]2(CCCOC2)O1 ZINC000483419012 1031155815 /nfs/dbraw/zinc/15/58/15/1031155815.db2.gz OSFQUAOOFAZDPH-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000483430147 1031160243 /nfs/dbraw/zinc/16/02/43/1031160243.db2.gz VCGDRSRKVUKRCF-LJQANCHMSA-N 1 2 326.440 3.616 20 0 EHADLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(CC)cc3)C2)n1 ZINC000483430147 1031160257 /nfs/dbraw/zinc/16/02/57/1031160257.db2.gz VCGDRSRKVUKRCF-LJQANCHMSA-N 1 2 326.440 3.616 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000483446381 1031163032 /nfs/dbraw/zinc/16/30/32/1031163032.db2.gz ZSIBUQLHFPNSEL-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000483446381 1031163041 /nfs/dbraw/zinc/16/30/41/1031163041.db2.gz ZSIBUQLHFPNSEL-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO O=C1C=CC(=O)N1CCCCCCNc1[nH+]cccc1-c1ccccc1 ZINC001168098438 1031167844 /nfs/dbraw/zinc/16/78/44/1031167844.db2.gz QWNWDFAUOWKANH-UHFFFAOYSA-N 1 2 349.434 3.646 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cnn(C)c3)n2)c2ccccc2O1 ZINC000527712869 1031172822 /nfs/dbraw/zinc/17/28/22/1031172822.db2.gz LJLRPRCLLOYTPZ-MLGOLLRUSA-N 1 2 340.452 3.546 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000483439345 1031172851 /nfs/dbraw/zinc/17/28/51/1031172851.db2.gz KIUHZTQODOMJJR-SFHVURJKSA-N 1 2 349.377 3.568 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000483439345 1031172860 /nfs/dbraw/zinc/17/28/60/1031172860.db2.gz KIUHZTQODOMJJR-SFHVURJKSA-N 1 2 349.377 3.568 20 0 EHADLO CCSCC[C@H](C)[N@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000174027014 1031193526 /nfs/dbraw/zinc/19/35/26/1031193526.db2.gz BRGRTGJRXVFZDM-ZDUSSCGKSA-N 1 2 335.473 3.709 20 0 EHADLO CCSCC[C@H](C)[N@@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000174027014 1031193537 /nfs/dbraw/zinc/19/35/37/1031193537.db2.gz BRGRTGJRXVFZDM-ZDUSSCGKSA-N 1 2 335.473 3.709 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2CC(c3ccccc3)C2)c2cn[nH]n2)cc1 ZINC000551304559 1031208493 /nfs/dbraw/zinc/20/84/93/1031208493.db2.gz IWZACTICANKQHJ-GAGFWEIESA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2CC(c3ccccc3)C2)c2c[nH]nn2)cc1 ZINC000551304559 1031208505 /nfs/dbraw/zinc/20/85/05/1031208505.db2.gz IWZACTICANKQHJ-GAGFWEIESA-N 1 2 336.414 3.817 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174395067 1031212018 /nfs/dbraw/zinc/21/20/18/1031212018.db2.gz DEXTWVONSZKEEP-RDJZCZTQSA-N 1 2 329.469 3.619 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1Cl ZINC000138896888 1031227787 /nfs/dbraw/zinc/22/77/87/1031227787.db2.gz GEGIEMMAUCRAHV-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1Cl ZINC000138896888 1031227796 /nfs/dbraw/zinc/22/77/96/1031227796.db2.gz GEGIEMMAUCRAHV-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000483649271 1031259404 /nfs/dbraw/zinc/25/94/04/1031259404.db2.gz DVDUNFVJNXUXNL-JOCHJYFZSA-N 1 2 349.430 3.998 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000483649271 1031259414 /nfs/dbraw/zinc/25/94/14/1031259414.db2.gz DVDUNFVJNXUXNL-JOCHJYFZSA-N 1 2 349.430 3.998 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405071 1031294870 /nfs/dbraw/zinc/29/48/70/1031294870.db2.gz HBHFIOMHSZTCRY-NSHDSACASA-N 1 2 332.341 3.817 20 0 EHADLO CN(Cc1ccccc1N1CCOCC1)c1[nH+]ccc2ccccc21 ZINC000527830755 1031297348 /nfs/dbraw/zinc/29/73/48/1031297348.db2.gz FOWNNYXEXFSOGT-UHFFFAOYSA-N 1 2 333.435 3.708 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000343550715 1031346041 /nfs/dbraw/zinc/34/60/41/1031346041.db2.gz CNHUILICSRDVSK-UHFFFAOYSA-N 1 2 329.396 3.677 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868853 1031355095 /nfs/dbraw/zinc/35/50/95/1031355095.db2.gz MURLPBPMSMWDOG-KUHUBIRLSA-N 1 2 339.414 3.610 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175757636 1031374756 /nfs/dbraw/zinc/37/47/56/1031374756.db2.gz XKAXETHQZOIWOZ-UZLBHIALSA-N 1 2 331.419 3.891 20 0 EHADLO CCN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)C(C)C ZINC000520831175 1031413886 /nfs/dbraw/zinc/41/38/86/1031413886.db2.gz TZJMNBJITDCWAQ-KRWDZBQOSA-N 1 2 342.487 3.550 20 0 EHADLO COc1ccc([C@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000176139895 1031416613 /nfs/dbraw/zinc/41/66/13/1031416613.db2.gz HILZWUDLQGOPOW-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000484010447 1031418617 /nfs/dbraw/zinc/41/86/17/1031418617.db2.gz QKMJQASTKARNNW-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000484010447 1031418625 /nfs/dbraw/zinc/41/86/25/1031418625.db2.gz QKMJQASTKARNNW-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000924791231 1031443833 /nfs/dbraw/zinc/44/38/33/1031443833.db2.gz QJTZRIIDKGVKTR-OAHLLOKOSA-N 1 2 328.460 3.644 20 0 EHADLO CSCC[C@H]([NH2+]Cc1cc(C)ccc1F)c1nnc2ccccn21 ZINC000116912668 1031474212 /nfs/dbraw/zinc/47/42/12/1031474212.db2.gz BTWCWRRSVCXMSI-INIZCTEOSA-N 1 2 344.459 3.761 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000177046382 1031479586 /nfs/dbraw/zinc/47/95/86/1031479586.db2.gz FBOXOIURETZKJB-OAHLLOKOSA-N 1 2 341.377 3.772 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000177046382 1031479598 /nfs/dbraw/zinc/47/95/98/1031479598.db2.gz FBOXOIURETZKJB-OAHLLOKOSA-N 1 2 341.377 3.772 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1Cl ZINC000278580590 1031489273 /nfs/dbraw/zinc/48/92/73/1031489273.db2.gz KDBXJGKBDUZWQK-SNVBAGLBSA-N 1 2 325.243 3.700 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000080613324 1031534412 /nfs/dbraw/zinc/53/44/12/1031534412.db2.gz UDNODYKLHRNAPE-PKOBYXMFSA-N 1 2 342.487 3.633 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1ccn(C)n1 ZINC000527984300 1031598606 /nfs/dbraw/zinc/59/86/06/1031598606.db2.gz FQPZREXFKJNQOV-NSHDSACASA-N 1 2 344.203 3.702 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c(F)c1Cl ZINC000278603263 1031608954 /nfs/dbraw/zinc/60/89/54/1031608954.db2.gz DBPAKKBYKUEVIF-GFCCVEGCSA-N 1 2 339.798 3.619 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c(F)c1Cl ZINC000278603263 1031608965 /nfs/dbraw/zinc/60/89/65/1031608965.db2.gz DBPAKKBYKUEVIF-GFCCVEGCSA-N 1 2 339.798 3.619 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000178018979 1031609216 /nfs/dbraw/zinc/60/92/16/1031609216.db2.gz MKPOQBCLRHFRGT-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000178018979 1031609227 /nfs/dbraw/zinc/60/92/27/1031609227.db2.gz MKPOQBCLRHFRGT-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084317663 1031611091 /nfs/dbraw/zinc/61/10/91/1031611091.db2.gz VIXZNPPCLVTHQO-IYBDPMFKSA-N 1 2 347.503 3.996 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084317663 1031611099 /nfs/dbraw/zinc/61/10/99/1031611099.db2.gz VIXZNPPCLVTHQO-IYBDPMFKSA-N 1 2 347.503 3.996 20 0 EHADLO CCO[C@H](C)c1noc(CSCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177855240 1031630416 /nfs/dbraw/zinc/63/04/16/1031630416.db2.gz IXSTUOIEBRNUST-CYBMUJFWSA-N 1 2 344.440 3.786 20 0 EHADLO Fc1cc2ccoc2c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000904030753 1031637125 /nfs/dbraw/zinc/63/71/25/1031637125.db2.gz YBVDGHGUHXDVEK-DZGCQCFKSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1cc2ccoc2c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000904030753 1031637135 /nfs/dbraw/zinc/63/71/35/1031637135.db2.gz YBVDGHGUHXDVEK-DZGCQCFKSA-N 1 2 343.358 3.548 20 0 EHADLO C[C@H]1CCN(c2nccc(Oc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000278621871 1031679845 /nfs/dbraw/zinc/67/98/45/1031679845.db2.gz GMKCORBIQJOPOL-DOTOQJQBSA-N 1 2 335.411 3.553 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000178359674 1031686072 /nfs/dbraw/zinc/68/60/72/1031686072.db2.gz FVGVCRCRCRGLJC-STQMWFEESA-N 1 2 343.789 3.547 20 0 EHADLO c1nnc([C@@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc2)[nH]1 ZINC000343624367 1031686284 /nfs/dbraw/zinc/68/62/84/1031686284.db2.gz YSBKQFNGZPOFEC-MSOLQXFVSA-N 1 2 336.464 3.514 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)n2)CC1 ZINC000667018224 1031688495 /nfs/dbraw/zinc/68/84/95/1031688495.db2.gz LYMXQXVHZGYTPS-BMFZPTHFSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528101439 1031723134 /nfs/dbraw/zinc/72/31/34/1031723134.db2.gz RZMQEDSVKBSYGW-UMPJEAMMSA-N 1 2 338.411 3.508 20 0 EHADLO O=C(Nc1ccccc1O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528115952 1031743726 /nfs/dbraw/zinc/74/37/26/1031743726.db2.gz RLJPEYAXPPFAFJ-INIZCTEOSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccccc1O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528115952 1031743733 /nfs/dbraw/zinc/74/37/33/1031743733.db2.gz RLJPEYAXPPFAFJ-INIZCTEOSA-N 1 2 330.815 3.649 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117561520 1031751742 /nfs/dbraw/zinc/75/17/42/1031751742.db2.gz RYGDRBMVAYUNDJ-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)(C)CCc1noc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904119842 1031754097 /nfs/dbraw/zinc/75/40/97/1031754097.db2.gz ZTDJXFVJBDMKEI-CYBMUJFWSA-N 1 2 338.249 3.859 20 0 EHADLO CC[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1nc2ccccc2[nH]1 ZINC000635484563 1031761199 /nfs/dbraw/zinc/76/11/99/1031761199.db2.gz ZCDKHGQJDAZMCY-YOEHRIQHSA-N 1 2 339.443 3.614 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cc[nH+]c1 ZINC000551909803 1031764352 /nfs/dbraw/zinc/76/43/52/1031764352.db2.gz ZVFKLFHLPXOVAF-VIFPVBQESA-N 1 2 329.734 3.728 20 0 EHADLO COc1ccccc1[C@H](NCc1cccc2[nH+]ccn21)c1ccco1 ZINC000179429865 1031774117 /nfs/dbraw/zinc/77/41/17/1031774117.db2.gz AZDZJQHBRMHPCW-FQEVSTJZSA-N 1 2 333.391 3.815 20 0 EHADLO C[C@@]1(Br)C[C@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000528127489 1031776691 /nfs/dbraw/zinc/77/66/91/1031776691.db2.gz VHHMSOJKKZFTBJ-SWLSCSKDSA-N 1 2 345.200 3.563 20 0 EHADLO COc1cccc(Cl)c1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000179556000 1031785817 /nfs/dbraw/zinc/78/58/17/1031785817.db2.gz YNGBUGYBTMZQQI-UHFFFAOYSA-N 1 2 333.863 3.764 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000179556000 1031785828 /nfs/dbraw/zinc/78/58/28/1031785828.db2.gz YNGBUGYBTMZQQI-UHFFFAOYSA-N 1 2 333.863 3.764 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000179556000 1031785837 /nfs/dbraw/zinc/78/58/37/1031785837.db2.gz YNGBUGYBTMZQQI-UHFFFAOYSA-N 1 2 333.863 3.764 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000159044950 1031830546 /nfs/dbraw/zinc/83/05/46/1031830546.db2.gz RVJGZPKHEHLBDJ-CXAGYDPISA-N 1 2 330.407 3.700 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000117759234 1031850338 /nfs/dbraw/zinc/85/03/38/1031850338.db2.gz CGIJYPGBVSWWLH-FQEVSTJZSA-N 1 2 349.409 3.859 20 0 EHADLO CCc1nc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc2o1 ZINC000117759953 1031850661 /nfs/dbraw/zinc/85/06/61/1031850661.db2.gz SGZNAEDIUNQWHJ-UHFFFAOYSA-N 1 2 332.363 3.828 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000117779180 1031851813 /nfs/dbraw/zinc/85/18/13/1031851813.db2.gz YBPPCJAALVTZQZ-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117782444 1031852747 /nfs/dbraw/zinc/85/27/47/1031852747.db2.gz YEROODXAOSOJFY-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO Cc1cccc(O[C@@H](C)CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000460564964 1031864402 /nfs/dbraw/zinc/86/44/02/1031864402.db2.gz NBWUXAMVOFVDIH-KRWDZBQOSA-N 1 2 349.434 3.686 20 0 EHADLO CCC(CC)n1nc(C)cc1-c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260884 1031906248 /nfs/dbraw/zinc/90/62/48/1031906248.db2.gz STGHWHMMYKYXRF-UHFFFAOYSA-N 1 2 326.404 3.555 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)C3CCC3)CC2)c1 ZINC000448908553 1031912999 /nfs/dbraw/zinc/91/29/99/1031912999.db2.gz JSDMARMEFFINSR-MRXNPFEDSA-N 1 2 344.499 3.727 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000181001547 1031933869 /nfs/dbraw/zinc/93/38/69/1031933869.db2.gz SNWSKKYEWNVCBL-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000181001547 1031933881 /nfs/dbraw/zinc/93/38/81/1031933881.db2.gz SNWSKKYEWNVCBL-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO CC(C)(CNc1cc[nH+]c2c(Cl)cccc12)C(=O)N1CCCC1 ZINC000528218985 1031956483 /nfs/dbraw/zinc/95/64/83/1031956483.db2.gz OCMVHOXARNPUKP-UHFFFAOYSA-N 1 2 331.847 3.949 20 0 EHADLO Nc1nc(C[N@@H+]2CCSC[C@H]2c2ccccc2)nc2ccccc12 ZINC000181344427 1031977862 /nfs/dbraw/zinc/97/78/62/1031977862.db2.gz NAHCRSZIUGACQA-KRWDZBQOSA-N 1 2 336.464 3.502 20 0 EHADLO Nc1nc(C[N@H+]2CCSC[C@H]2c2ccccc2)nc2ccccc12 ZINC000181344427 1031977875 /nfs/dbraw/zinc/97/78/75/1031977875.db2.gz NAHCRSZIUGACQA-KRWDZBQOSA-N 1 2 336.464 3.502 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347475626 1031978152 /nfs/dbraw/zinc/97/81/52/1031978152.db2.gz YRJRICFYFZLETI-DOTOQJQBSA-N 1 2 343.446 3.534 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000347485933 1031990491 /nfs/dbraw/zinc/99/04/91/1031990491.db2.gz OXEXEPXUGHLHFC-OAHLLOKOSA-N 1 2 325.456 3.737 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)s1 ZINC000347487217 1031990599 /nfs/dbraw/zinc/99/05/99/1031990599.db2.gz PYHRUSXEGKJMTF-NWDGAFQWSA-N 1 2 337.876 3.645 20 0 EHADLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449015144 1032026773 /nfs/dbraw/zinc/02/67/73/1032026773.db2.gz SHOPBLVMLIOEKV-NSHDSACASA-N 1 2 347.311 3.793 20 0 EHADLO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449015144 1032026787 /nfs/dbraw/zinc/02/67/87/1032026787.db2.gz SHOPBLVMLIOEKV-NSHDSACASA-N 1 2 347.311 3.793 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c(C)n1C ZINC000607755738 1033298600 /nfs/dbraw/zinc/29/86/00/1033298600.db2.gz QIBAIKRCSPIKJQ-UHFFFAOYSA-N 1 2 339.483 3.557 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c(C)n1C ZINC000607755738 1033298620 /nfs/dbraw/zinc/29/86/20/1033298620.db2.gz QIBAIKRCSPIKJQ-UHFFFAOYSA-N 1 2 339.483 3.557 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)nn1 ZINC000685426824 1033318510 /nfs/dbraw/zinc/31/85/10/1033318510.db2.gz GOAMUGPNSLOVCE-ZIAGYGMSSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)nn1 ZINC000685426824 1033318526 /nfs/dbraw/zinc/31/85/26/1033318526.db2.gz GOAMUGPNSLOVCE-ZIAGYGMSSA-N 1 2 338.377 3.739 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000898107955 1033331825 /nfs/dbraw/zinc/33/18/25/1033331825.db2.gz HGTFHTWEQMMKPA-ZWNOBZJWSA-N 1 2 346.208 3.571 20 0 EHADLO CC(C)c1c(C(=O)Nc2cccc3[nH+]ccn32)cnn1-c1ccccc1 ZINC000607852246 1033359872 /nfs/dbraw/zinc/35/98/72/1033359872.db2.gz OXSXTWJQKBBUFB-UHFFFAOYSA-N 1 2 345.406 3.896 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(Cl)c2Cl)c1C ZINC000050449345 1033378990 /nfs/dbraw/zinc/37/89/90/1033378990.db2.gz BESMTZCZECJQOY-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO CSCc1cnc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)s1 ZINC000898181829 1033382674 /nfs/dbraw/zinc/38/26/74/1033382674.db2.gz OUGQDIPSOCMIQA-GFCCVEGCSA-N 1 2 336.530 3.854 20 0 EHADLO COc1ccc([C@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C2CC2)cn1 ZINC000529105254 1033410502 /nfs/dbraw/zinc/41/05/02/1033410502.db2.gz TXUUBQGLZBUUBU-GOSISDBHSA-N 1 2 340.427 3.683 20 0 EHADLO CCC[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000061001612 1033415813 /nfs/dbraw/zinc/41/58/13/1033415813.db2.gz LVDNVDQGKQFFIL-UHFFFAOYSA-N 1 2 331.423 3.551 20 0 EHADLO CCC[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000061001612 1033415817 /nfs/dbraw/zinc/41/58/17/1033415817.db2.gz LVDNVDQGKQFFIL-UHFFFAOYSA-N 1 2 331.423 3.551 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472337199 1033472029 /nfs/dbraw/zinc/47/20/29/1033472029.db2.gz PBHWRXUALMCVEH-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472337199 1033472039 /nfs/dbraw/zinc/47/20/39/1033472039.db2.gz PBHWRXUALMCVEH-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccnc2ccccc12 ZINC000594711376 1033500033 /nfs/dbraw/zinc/50/00/33/1033500033.db2.gz MGSRMHSZUQNYKX-OAQYLSRUSA-N 1 2 348.446 3.541 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528396 1033562189 /nfs/dbraw/zinc/56/21/89/1033562189.db2.gz QRLUABFTRVPZIO-TZMCWYRMSA-N 1 2 342.405 3.715 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528396 1033562193 /nfs/dbraw/zinc/56/21/93/1033562193.db2.gz QRLUABFTRVPZIO-TZMCWYRMSA-N 1 2 342.405 3.715 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000685598250 1033607451 /nfs/dbraw/zinc/60/74/51/1033607451.db2.gz ACDBJMRPOSXXIM-GOSISDBHSA-N 1 2 347.462 3.968 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccccc1Cl ZINC000608314024 1033613749 /nfs/dbraw/zinc/61/37/49/1033613749.db2.gz ZTBRWZNUMVTYDO-GFCCVEGCSA-N 1 2 344.802 3.577 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000608355522 1033629508 /nfs/dbraw/zinc/62/95/08/1033629508.db2.gz PTKLZVLDNDJVCS-AWEZNQCLSA-N 1 2 339.826 3.946 20 0 EHADLO O=C(c1cc2c(cccc2Cl)s1)N1CC[NH+](C2CCC2)CC1 ZINC000603476243 1033659190 /nfs/dbraw/zinc/65/91/90/1033659190.db2.gz VGHSHHAHGBNUHZ-UHFFFAOYSA-N 1 2 334.872 3.865 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@H]2C=C[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000343807423 1033684258 /nfs/dbraw/zinc/68/42/58/1033684258.db2.gz OADLZWQUESIFOG-HOCLYGCPSA-N 1 2 341.480 3.668 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000529249951 1033695522 /nfs/dbraw/zinc/69/55/22/1033695522.db2.gz GOEKEPLXKRHNSN-UHFFFAOYSA-N 1 2 336.798 3.853 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000120340693 1033711465 /nfs/dbraw/zinc/71/14/65/1033711465.db2.gz SZQMQQNZSGYCFV-UHFFFAOYSA-N 1 2 338.386 3.513 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000595450826 1033814877 /nfs/dbraw/zinc/81/48/77/1033814877.db2.gz FKLXXZVAMCPKDC-QGZVFWFLSA-N 1 2 339.439 3.682 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635704933 1033860236 /nfs/dbraw/zinc/86/02/36/1033860236.db2.gz PBEZAVKWYKGPMI-IHRRRGAJSA-N 1 2 331.382 3.804 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)cc1 ZINC000599296797 1033861292 /nfs/dbraw/zinc/86/12/92/1033861292.db2.gz OUZPZWOVMZWUPZ-MRXNPFEDSA-N 1 2 329.469 3.795 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)cc1 ZINC000599296797 1033861304 /nfs/dbraw/zinc/86/13/04/1033861304.db2.gz OUZPZWOVMZWUPZ-MRXNPFEDSA-N 1 2 329.469 3.795 20 0 EHADLO CC(C)(C)Oc1c(F)cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000575126482 1033867614 /nfs/dbraw/zinc/86/76/14/1033867614.db2.gz FZCPVMKKDZOHTI-LLVKDONJSA-N 1 2 349.381 3.540 20 0 EHADLO C[C@@H]1CC[C@H](C)N(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608728685 1033868661 /nfs/dbraw/zinc/86/86/61/1033868661.db2.gz LWYPOVRHNSTVOM-SOLBZPMBSA-N 1 2 340.471 3.534 20 0 EHADLO Clc1cc(CN2CCC(Nc3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000761120038 1033898633 /nfs/dbraw/zinc/89/86/33/1033898633.db2.gz REQWFJWDZLZOOJ-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCC(=O)CC1 ZINC000575176458 1033900950 /nfs/dbraw/zinc/90/09/50/1033900950.db2.gz LQOUCUVWEZIUOY-UHFFFAOYSA-N 1 2 337.423 3.584 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785682 1033919999 /nfs/dbraw/zinc/91/99/99/1033919999.db2.gz VBHFFBPLKFVBNT-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000516849776 1033972791 /nfs/dbraw/zinc/97/27/91/1033972791.db2.gz MPHXXVRGZXSUFV-ZBFHGGJFSA-N 1 2 346.862 3.599 20 0 EHADLO O=C(CSCc1ccc(F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000603883315 1034006750 /nfs/dbraw/zinc/00/67/50/1034006750.db2.gz WUROFJODQNZTAR-UHFFFAOYSA-N 1 2 341.411 3.883 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000603885373 1034009990 /nfs/dbraw/zinc/00/99/90/1034009990.db2.gz RWRKKGDUWNRRJV-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CCCN(CC1CC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869472 1034023233 /nfs/dbraw/zinc/02/32/33/1034023233.db2.gz SYQLVOUBMNCIEE-SFHVURJKSA-N 1 2 340.471 3.536 20 0 EHADLO COC(=O)c1sc2c(c1Br)C[N@H+](C1CCCC1)C2 ZINC000595905378 1034026696 /nfs/dbraw/zinc/02/66/96/1034026696.db2.gz MQUDVXVWZUNFHN-UHFFFAOYSA-N 1 2 330.247 3.555 20 0 EHADLO COC(=O)c1sc2c(c1Br)C[N@@H+](C1CCCC1)C2 ZINC000595905378 1034026712 /nfs/dbraw/zinc/02/67/12/1034026712.db2.gz MQUDVXVWZUNFHN-UHFFFAOYSA-N 1 2 330.247 3.555 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1C[C@H]1c1ccco1 ZINC000101665801 1034027617 /nfs/dbraw/zinc/02/76/17/1034027617.db2.gz GUYJAMACTQXRRA-CHWSQXEVSA-N 1 2 327.771 3.861 20 0 EHADLO CC[C@@H]([NH2+]Cc1sc(C)cc1Br)c1nccn1C ZINC000658224763 1034084386 /nfs/dbraw/zinc/08/43/86/1034084386.db2.gz CYWBBFJURWETQY-LLVKDONJSA-N 1 2 328.279 3.793 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000599652077 1034085723 /nfs/dbraw/zinc/08/57/23/1034085723.db2.gz DWECVNSEPFKMJM-ZOWXZIJZSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000599652077 1034085740 /nfs/dbraw/zinc/08/57/40/1034085740.db2.gz DWECVNSEPFKMJM-ZOWXZIJZSA-N 1 2 343.254 3.552 20 0 EHADLO C[C@H]1CC=C(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000456070195 1034090447 /nfs/dbraw/zinc/09/04/47/1034090447.db2.gz PVKNITJBKUSJOR-RDJZCZTQSA-N 1 2 327.472 3.672 20 0 EHADLO O=C1CCCN1C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450313310 1034093596 /nfs/dbraw/zinc/09/35/96/1034093596.db2.gz PZCRTWBYINFIIA-UHFFFAOYSA-N 1 2 347.821 3.619 20 0 EHADLO CC(C)CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658240588 1034111881 /nfs/dbraw/zinc/11/18/81/1034111881.db2.gz ZODXXQSHKOFSLM-CYBMUJFWSA-N 1 2 347.484 3.518 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450332246 1034120227 /nfs/dbraw/zinc/12/02/27/1034120227.db2.gz WZRFGFQOQUIGAU-UHFFFAOYSA-N 1 2 343.496 3.879 20 0 EHADLO CCC(CC)[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cccs1 ZINC000057267481 1034134299 /nfs/dbraw/zinc/13/42/99/1034134299.db2.gz AVBZYSNDNGPYBC-MRXNPFEDSA-N 1 2 334.489 3.811 20 0 EHADLO CCCc1[nH+]c(C)cc(OCCCc2cc(CC)no2)c1C(=O)OC ZINC000596281993 1034142477 /nfs/dbraw/zinc/14/24/77/1034142477.db2.gz SJAKMEMOYCANQB-UHFFFAOYSA-N 1 2 346.427 3.691 20 0 EHADLO CC(C)(C)c1csc(C[NH+]2CCC(Nc3ccccn3)CC2)n1 ZINC000534129774 1034169800 /nfs/dbraw/zinc/16/98/00/1034169800.db2.gz RTPDYTJDUPRHNN-UHFFFAOYSA-N 1 2 330.501 3.912 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120851241 1034187231 /nfs/dbraw/zinc/18/72/31/1034187231.db2.gz ZRWLLFAEQZKKMT-INIZCTEOSA-N 1 2 325.456 3.638 20 0 EHADLO FC(F)(F)c1sccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000529554477 1034187846 /nfs/dbraw/zinc/18/78/46/1034187846.db2.gz LTWWORQKRIYIGY-UHFFFAOYSA-N 1 2 343.374 3.600 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[S@](=O)[C@@H](C)C3)cc2)c1 ZINC000537618792 1034190252 /nfs/dbraw/zinc/19/02/52/1034190252.db2.gz LNDVPNPOIMNIJT-SBUREZEXSA-N 1 2 327.493 3.923 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[S@](=O)[C@@H](C)C3)cc2)c1 ZINC000537618792 1034190257 /nfs/dbraw/zinc/19/02/57/1034190257.db2.gz LNDVPNPOIMNIJT-SBUREZEXSA-N 1 2 327.493 3.923 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Br)ccc1F ZINC000658335879 1034209783 /nfs/dbraw/zinc/20/97/83/1034209783.db2.gz IPIMDIZNWDMAQM-ZJUUUORDSA-N 1 2 326.213 3.734 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000604112212 1034224154 /nfs/dbraw/zinc/22/41/54/1034224154.db2.gz ZIBCLWDXAOZVOM-KRWDZBQOSA-N 1 2 334.529 3.561 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119686124 1034227384 /nfs/dbraw/zinc/22/73/84/1034227384.db2.gz GDZBQUFPNKBHNW-KRWDZBQOSA-N 1 2 330.472 3.747 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119686124 1034227394 /nfs/dbraw/zinc/22/73/94/1034227394.db2.gz GDZBQUFPNKBHNW-KRWDZBQOSA-N 1 2 330.472 3.747 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000450410085 1034262902 /nfs/dbraw/zinc/26/29/02/1034262902.db2.gz VNLFQNBHFDNWOC-UHFFFAOYSA-N 1 2 348.443 3.524 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120961045 1034276003 /nfs/dbraw/zinc/27/60/03/1034276003.db2.gz BZLYVRMYXGZMES-RDTXWAMCSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120961045 1034276011 /nfs/dbraw/zinc/27/60/11/1034276011.db2.gz BZLYVRMYXGZMES-RDTXWAMCSA-N 1 2 333.453 3.598 20 0 EHADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000456297556 1034289996 /nfs/dbraw/zinc/28/99/96/1034289996.db2.gz RHNTYEXYXPEAED-RTBURBONSA-N 1 2 325.456 3.684 20 0 EHADLO CC1(C)CN(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C(=O)O1 ZINC000755728776 1034298709 /nfs/dbraw/zinc/29/87/09/1034298709.db2.gz VTTFBLKFFXIPIT-UHFFFAOYSA-N 1 2 342.361 3.858 20 0 EHADLO CC1(C)CN(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)C(=O)O1 ZINC000755728776 1034298721 /nfs/dbraw/zinc/29/87/21/1034298721.db2.gz VTTFBLKFFXIPIT-UHFFFAOYSA-N 1 2 342.361 3.858 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000604274259 1034311688 /nfs/dbraw/zinc/31/16/88/1034311688.db2.gz HWTMCVHGYWXYNV-SFHVURJKSA-N 1 2 345.446 3.668 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H]2CCc3ccccc32)c1C ZINC000604321537 1034327396 /nfs/dbraw/zinc/32/73/96/1034327396.db2.gz VSHCXPRJVIQQQF-QGZVFWFLSA-N 1 2 338.451 3.786 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685710824 1034339047 /nfs/dbraw/zinc/33/90/47/1034339047.db2.gz CKDFWXZRUOKXKY-RTBURBONSA-N 1 2 339.483 3.805 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000121069077 1034369427 /nfs/dbraw/zinc/36/94/27/1034369427.db2.gz ONCCVAXAXKUYGE-ZFWWWQNUSA-N 1 2 337.533 3.969 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000121069077 1034369442 /nfs/dbraw/zinc/36/94/42/1034369442.db2.gz ONCCVAXAXKUYGE-ZFWWWQNUSA-N 1 2 337.533 3.969 20 0 EHADLO COC(=O)[C@](C)([NH2+]CCCOc1cccc2ccccc21)C1CC1 ZINC000534315012 1034388867 /nfs/dbraw/zinc/38/88/67/1034388867.db2.gz QSYDDBAGCRKRKF-HXUWFJFHSA-N 1 2 327.424 3.540 20 0 EHADLO CC[C@@H](CNC(=O)Nc1cc(C)[nH+]cc1C)Oc1ccccc1Cl ZINC000534323532 1034399541 /nfs/dbraw/zinc/39/95/41/1034399541.db2.gz REJVLGFNQKLCBN-AWEZNQCLSA-N 1 2 347.846 3.753 20 0 EHADLO Clc1ccccc1CN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000534333648 1034408504 /nfs/dbraw/zinc/40/85/04/1034408504.db2.gz HUHPJQCNDJNBTM-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)n1 ZINC000450495613 1034429085 /nfs/dbraw/zinc/42/90/85/1034429085.db2.gz WBAMQMKFVVYXNT-UHFFFAOYSA-N 1 2 336.432 3.870 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)n1 ZINC000450495613 1034429094 /nfs/dbraw/zinc/42/90/94/1034429094.db2.gz WBAMQMKFVVYXNT-UHFFFAOYSA-N 1 2 336.432 3.870 20 0 EHADLO CCc1ccc(C[N@H+](Cn2c(=O)sc3c2CCCC3)C2CC2)cc1 ZINC000060374513 1034431730 /nfs/dbraw/zinc/43/17/30/1034431730.db2.gz XJGPEMGEBFSSPY-UHFFFAOYSA-N 1 2 342.508 3.973 20 0 EHADLO CCc1ccc(C[N@@H+](Cn2c(=O)sc3c2CCCC3)C2CC2)cc1 ZINC000060374513 1034431735 /nfs/dbraw/zinc/43/17/35/1034431735.db2.gz XJGPEMGEBFSSPY-UHFFFAOYSA-N 1 2 342.508 3.973 20 0 EHADLO COCCO[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450508122 1034444430 /nfs/dbraw/zinc/44/44/30/1034444430.db2.gz XWQLLNGMEBDTFH-GFCCVEGCSA-N 1 2 338.810 3.659 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604670806 1034449108 /nfs/dbraw/zinc/44/91/08/1034449108.db2.gz SCNWOYMNHUJFSN-RDJZCZTQSA-N 1 2 326.444 3.592 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394141 1034470815 /nfs/dbraw/zinc/47/08/15/1034470815.db2.gz UIPRTLQHCMKAHQ-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394141 1034470823 /nfs/dbraw/zinc/47/08/23/1034470823.db2.gz UIPRTLQHCMKAHQ-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO C[C@H](O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547985 1034506577 /nfs/dbraw/zinc/50/65/77/1034506577.db2.gz GBDLDROPQXHMQZ-NHYWBVRUSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547985 1034506587 /nfs/dbraw/zinc/50/65/87/1034506587.db2.gz GBDLDROPQXHMQZ-NHYWBVRUSA-N 1 2 345.270 3.557 20 0 EHADLO COC(=O)c1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000450560663 1034521687 /nfs/dbraw/zinc/52/16/87/1034521687.db2.gz PYTPVUUMHRGSIV-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669601446 1034562003 /nfs/dbraw/zinc/56/20/03/1034562003.db2.gz YISROHHTPIHBQE-INIZCTEOSA-N 1 2 348.406 3.548 20 0 EHADLO C[C@@H]1[C@@H](CO)CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000413601282 1034570497 /nfs/dbraw/zinc/57/04/97/1034570497.db2.gz ZZKVDIXYYQTHDA-DGCLKSJQSA-N 1 2 335.245 3.595 20 0 EHADLO CC(C)c1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)s1 ZINC000450611256 1034593191 /nfs/dbraw/zinc/59/31/91/1034593191.db2.gz HZZDMSFTUDMYGE-CQSZACIVSA-N 1 2 348.491 3.679 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)nc1 ZINC000450642323 1034611728 /nfs/dbraw/zinc/61/17/28/1034611728.db2.gz ITDDZQFEELBVQC-UHFFFAOYSA-N 1 2 336.794 3.683 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)nc1 ZINC000450642323 1034611738 /nfs/dbraw/zinc/61/17/38/1034611738.db2.gz ITDDZQFEELBVQC-UHFFFAOYSA-N 1 2 336.794 3.683 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525345 1034645220 /nfs/dbraw/zinc/64/52/20/1034645220.db2.gz MTSXADCBCXCWLX-IBGZPJMESA-N 1 2 342.508 3.661 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1)c1cccs1 ZINC000605156514 1034654057 /nfs/dbraw/zinc/65/40/57/1034654057.db2.gz XVKXSSTUXZSOFY-WMLDXEAASA-N 1 2 346.521 3.715 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1)c1cccs1 ZINC000605156514 1034654067 /nfs/dbraw/zinc/65/40/67/1034654067.db2.gz XVKXSSTUXZSOFY-WMLDXEAASA-N 1 2 346.521 3.715 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000450666320 1034666877 /nfs/dbraw/zinc/66/68/77/1034666877.db2.gz SGVQKHULJRGXDV-LLVKDONJSA-N 1 2 342.468 3.615 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccc(OCC(F)(F)F)cc1 ZINC000450670890 1034671028 /nfs/dbraw/zinc/67/10/28/1034671028.db2.gz DOIWCOZXTFXTQK-ZJUUUORDSA-N 1 2 331.363 3.891 20 0 EHADLO O=C1CCC(C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000450692955 1034696234 /nfs/dbraw/zinc/69/62/34/1034696234.db2.gz NBQVCMZLIXJAED-UHFFFAOYSA-N 1 2 340.236 3.706 20 0 EHADLO O=C1CCC(C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000450692955 1034696239 /nfs/dbraw/zinc/69/62/39/1034696239.db2.gz NBQVCMZLIXJAED-UHFFFAOYSA-N 1 2 340.236 3.706 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000171890424 1034705971 /nfs/dbraw/zinc/70/59/71/1034705971.db2.gz BYGRYAFHIVLDIC-CYBMUJFWSA-N 1 2 334.489 3.562 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000171890424 1034705985 /nfs/dbraw/zinc/70/59/85/1034705985.db2.gz BYGRYAFHIVLDIC-CYBMUJFWSA-N 1 2 334.489 3.562 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc12 ZINC000413652829 1034725598 /nfs/dbraw/zinc/72/55/98/1034725598.db2.gz IZBGVTUMKJBAJS-UHFFFAOYSA-N 1 2 348.450 3.961 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccccc12 ZINC000413652829 1034725613 /nfs/dbraw/zinc/72/56/13/1034725613.db2.gz IZBGVTUMKJBAJS-UHFFFAOYSA-N 1 2 348.450 3.961 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000450714383 1034726017 /nfs/dbraw/zinc/72/60/17/1034726017.db2.gz LFSMVMGRBXNKSG-MLGOLLRUSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000450714383 1034726032 /nfs/dbraw/zinc/72/60/32/1034726032.db2.gz LFSMVMGRBXNKSG-MLGOLLRUSA-N 1 2 346.452 3.521 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc2occc2s1 ZINC000605463262 1034746742 /nfs/dbraw/zinc/74/67/42/1034746742.db2.gz LQAWLJGWSDTYRT-UHFFFAOYSA-N 1 2 337.404 3.669 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c[nH+]1 ZINC000456832038 1034774405 /nfs/dbraw/zinc/77/44/05/1034774405.db2.gz FMXHOHGXPCPCAZ-LBPRGKRZSA-N 1 2 336.794 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278791735 1034790003 /nfs/dbraw/zinc/79/00/03/1034790003.db2.gz OCQOKNGQTHEBGN-VHSXEESVSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278791735 1034790015 /nfs/dbraw/zinc/79/00/15/1034790015.db2.gz OCQOKNGQTHEBGN-VHSXEESVSA-N 1 2 336.304 3.566 20 0 EHADLO CC(=O)c1cccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000450780025 1034806697 /nfs/dbraw/zinc/80/66/97/1034806697.db2.gz XEESKLLVBOTJGV-OAHLLOKOSA-N 1 2 328.481 3.830 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456850149 1034807508 /nfs/dbraw/zinc/80/75/08/1034807508.db2.gz VYBLTVRKZZTJHG-INIZCTEOSA-N 1 2 332.831 3.826 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456855034 1034811806 /nfs/dbraw/zinc/81/18/06/1034811806.db2.gz RCDLEDUYRLNHOK-DOTOQJQBSA-N 1 2 327.403 3.641 20 0 EHADLO COc1ccccc1C[C@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456855643 1034814022 /nfs/dbraw/zinc/81/40/22/1034814022.db2.gz ZWCJYGUISLILQE-AWEZNQCLSA-N 1 2 326.440 3.592 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000450810494 1034819214 /nfs/dbraw/zinc/81/92/14/1034819214.db2.gz KQWIFMFGOZQSSY-BZUAXINKSA-N 1 2 326.440 3.539 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000450810495 1034819734 /nfs/dbraw/zinc/81/97/34/1034819734.db2.gz KQWIFMFGOZQSSY-OAGGEKHMSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@@H](c1ccc(C[N@@H+]2CC[S@@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813886 1034820912 /nfs/dbraw/zinc/82/09/12/1034820912.db2.gz XFEWIWRAPCFREK-AMXDTQDGSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@@H](c1ccc(C[N@H+]2CC[S@@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813886 1034820927 /nfs/dbraw/zinc/82/09/27/1034820927.db2.gz XFEWIWRAPCFREK-AMXDTQDGSA-N 1 2 333.419 3.695 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CC(F)(F)F)n2)CC[C@H]1C(F)(F)F ZINC000450846934 1034858076 /nfs/dbraw/zinc/85/80/76/1034858076.db2.gz UOEHAEYEHFPZDE-LLVKDONJSA-N 1 2 343.315 3.856 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CC(F)(F)F)n2)CC[C@H]1C(F)(F)F ZINC000450846934 1034858082 /nfs/dbraw/zinc/85/80/82/1034858082.db2.gz UOEHAEYEHFPZDE-LLVKDONJSA-N 1 2 343.315 3.856 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccco1)c1ccc(Cl)cc1Cl ZINC000008197879 1034900168 /nfs/dbraw/zinc/90/01/68/1034900168.db2.gz FRJVXHIQHKMQEV-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1ccc(Cl)cc1Cl ZINC000008197879 1034900175 /nfs/dbraw/zinc/90/01/75/1034900175.db2.gz FRJVXHIQHKMQEV-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO O[C@H]([C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1)C(F)(F)F ZINC000450878838 1034906733 /nfs/dbraw/zinc/90/67/33/1034906733.db2.gz JJZZMPRYFKTRCV-YMTOWFKASA-N 1 2 330.737 3.638 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530043385 1034908455 /nfs/dbraw/zinc/90/84/55/1034908455.db2.gz XPECJRXZYXUUHE-HXUWFJFHSA-N 1 2 345.446 3.864 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649551 1034912292 /nfs/dbraw/zinc/91/22/92/1034912292.db2.gz BNBMTFOILHQQNF-NEPJUHHUSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649551 1034912299 /nfs/dbraw/zinc/91/22/99/1034912299.db2.gz BNBMTFOILHQQNF-NEPJUHHUSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cn2cc(NC(=O)CSc3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000343824013 1034952418 /nfs/dbraw/zinc/95/24/18/1034952418.db2.gz KEZHTGHZCOLPOB-UHFFFAOYSA-N 1 2 333.363 3.652 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000530097347 1034958817 /nfs/dbraw/zinc/95/88/17/1034958817.db2.gz WOFLMGLQEPFJPA-LBPRGKRZSA-N 1 2 335.398 3.512 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000530097347 1034958823 /nfs/dbraw/zinc/95/88/23/1034958823.db2.gz WOFLMGLQEPFJPA-LBPRGKRZSA-N 1 2 335.398 3.512 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)CCC3CCCC3)c2C1 ZINC000450990714 1035002718 /nfs/dbraw/zinc/00/27/18/1035002718.db2.gz JGGRFFJQCWKQJT-UHFFFAOYSA-N 1 2 336.501 3.734 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)CCC3CCCC3)c2C1 ZINC000450990714 1035002730 /nfs/dbraw/zinc/00/27/30/1035002730.db2.gz JGGRFFJQCWKQJT-UHFFFAOYSA-N 1 2 336.501 3.734 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC)c(OC)c1 ZINC000450980610 1035010639 /nfs/dbraw/zinc/01/06/39/1035010639.db2.gz UTPRKMZLCLPQDZ-CYBMUJFWSA-N 1 2 333.457 3.674 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)n1 ZINC000450984189 1035012651 /nfs/dbraw/zinc/01/26/51/1035012651.db2.gz UYMGWDOZTVHDJK-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)n1 ZINC000450984189 1035012659 /nfs/dbraw/zinc/01/26/59/1035012659.db2.gz UYMGWDOZTVHDJK-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CCc3ccccc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000451040697 1035041414 /nfs/dbraw/zinc/04/14/14/1035041414.db2.gz HEELVKXSTLHHAP-WOJBJXKFSA-N 1 2 339.483 3.515 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CCc3ccccc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000451040697 1035041423 /nfs/dbraw/zinc/04/14/23/1035041423.db2.gz HEELVKXSTLHHAP-WOJBJXKFSA-N 1 2 339.483 3.515 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc3ncccc3c1)C2 ZINC000376021191 1035134177 /nfs/dbraw/zinc/13/41/77/1035134177.db2.gz ZRNJKTRWBSFWDW-MRXNPFEDSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc3ncccc3c1)CC2 ZINC000376021191 1035134181 /nfs/dbraw/zinc/13/41/81/1035134181.db2.gz ZRNJKTRWBSFWDW-MRXNPFEDSA-N 1 2 348.450 3.503 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC=C(c2ccco2)C1 ZINC000376038096 1035163033 /nfs/dbraw/zinc/16/30/33/1035163033.db2.gz UEXBCUOEPREPRF-JXMROGBWSA-N 1 2 345.402 3.794 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](c1ccccc1)C1CC1)C2 ZINC000376055648 1035193617 /nfs/dbraw/zinc/19/36/17/1035193617.db2.gz KXPQLMSEIBQBPZ-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](c1ccccc1)C1CC1)CC2 ZINC000376055648 1035193619 /nfs/dbraw/zinc/19/36/19/1035193619.db2.gz KXPQLMSEIBQBPZ-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000376057920 1035198474 /nfs/dbraw/zinc/19/84/74/1035198474.db2.gz SQJOVGBURGQMLI-AWEZNQCLSA-N 1 2 339.439 3.788 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000376057920 1035198476 /nfs/dbraw/zinc/19/84/76/1035198476.db2.gz SQJOVGBURGQMLI-AWEZNQCLSA-N 1 2 339.439 3.788 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000612846511 1035258983 /nfs/dbraw/zinc/25/89/83/1035258983.db2.gz XIVVGRDRBDSZBT-GUDVDZBRSA-N 1 2 337.467 3.961 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177634063 1035287760 /nfs/dbraw/zinc/28/77/60/1035287760.db2.gz DBWMHXFKYCNBKK-ZIAGYGMSSA-N 1 2 343.858 3.533 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177634063 1035287766 /nfs/dbraw/zinc/28/77/66/1035287766.db2.gz DBWMHXFKYCNBKK-ZIAGYGMSSA-N 1 2 343.858 3.533 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000685832688 1035362860 /nfs/dbraw/zinc/36/28/60/1035362860.db2.gz JOZLZNXIOOUWBE-SECBINFHSA-N 1 2 348.082 3.839 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000685832688 1035362866 /nfs/dbraw/zinc/36/28/66/1035362866.db2.gz JOZLZNXIOOUWBE-SECBINFHSA-N 1 2 348.082 3.839 20 0 EHADLO Cc1cc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)ccc1Br ZINC000923782096 1035382415 /nfs/dbraw/zinc/38/24/15/1035382415.db2.gz IDBRVOUVPVCAKH-GHMZBOCLSA-N 1 2 345.200 3.802 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000892531322 1035440927 /nfs/dbraw/zinc/44/09/27/1035440927.db2.gz PRKWGFJWCKGXIJ-NSHDSACASA-N 1 2 338.377 3.932 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)s1 ZINC000414086800 1035469985 /nfs/dbraw/zinc/46/99/85/1035469985.db2.gz ZZTITEKPWOGNBX-SNVBAGLBSA-N 1 2 348.399 3.974 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C1CCC1)C1CCC1)C2 ZINC000376234118 1035484512 /nfs/dbraw/zinc/48/45/12/1035484512.db2.gz BHJMWNKXALBPKT-HNNXBMFYSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C1CCC1)C1CCC1)CC2 ZINC000376234118 1035484518 /nfs/dbraw/zinc/48/45/18/1035484518.db2.gz BHJMWNKXALBPKT-HNNXBMFYSA-N 1 2 329.488 3.723 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571449020 1035498191 /nfs/dbraw/zinc/49/81/91/1035498191.db2.gz HPDBNCYVFIOKBJ-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1Cl)C2 ZINC000376242742 1035517265 /nfs/dbraw/zinc/51/72/65/1035517265.db2.gz CWVDTRNNHKYFRN-GFCCVEGCSA-N 1 2 331.847 3.608 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1Cl)CC2 ZINC000376242742 1035517279 /nfs/dbraw/zinc/51/72/79/1035517279.db2.gz CWVDTRNNHKYFRN-GFCCVEGCSA-N 1 2 331.847 3.608 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(C(F)(F)F)CC1 ZINC000492263172 1035538383 /nfs/dbraw/zinc/53/83/83/1035538383.db2.gz KQGKBWJXNDRDLR-UTCJRWHESA-N 1 2 347.340 3.607 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]1[C@@H]1CCCO1 ZINC000571573481 1035539022 /nfs/dbraw/zinc/53/90/22/1035539022.db2.gz UNLJVEAHMJCGPV-HKUYNNGSSA-N 1 2 339.439 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]1[C@@H]1CCCO1 ZINC000571573481 1035539036 /nfs/dbraw/zinc/53/90/36/1035539036.db2.gz UNLJVEAHMJCGPV-HKUYNNGSSA-N 1 2 339.439 3.658 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000463490756 1035557531 /nfs/dbraw/zinc/55/75/31/1035557531.db2.gz OBIRBTGWLHJQCI-MRXNPFEDSA-N 1 2 349.471 3.991 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000463490756 1035557535 /nfs/dbraw/zinc/55/75/35/1035557535.db2.gz OBIRBTGWLHJQCI-MRXNPFEDSA-N 1 2 349.471 3.991 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(OC2CCCC2)c1 ZINC000414110855 1035565510 /nfs/dbraw/zinc/56/55/10/1035565510.db2.gz MBABLHMZJQTTID-AWEZNQCLSA-N 1 2 329.444 3.601 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(-c3cccs3)o2)n1-c1ccccc1 ZINC000186010059 1035566067 /nfs/dbraw/zinc/56/60/67/1035566067.db2.gz AGZIYJSPFAFRDX-UHFFFAOYSA-N 1 2 337.408 3.904 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc2ccoc2c1 ZINC000571625174 1035569902 /nfs/dbraw/zinc/56/99/02/1035569902.db2.gz UCEJJRZADGMFQP-UHFFFAOYSA-N 1 2 336.395 3.750 20 0 EHADLO COc1cccc(F)c1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000186129994 1035589354 /nfs/dbraw/zinc/58/93/54/1035589354.db2.gz LFFVRNBYYIHFKI-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NC1CCC(F)(F)CC1 ZINC000492294797 1035593845 /nfs/dbraw/zinc/59/38/45/1035593845.db2.gz BRAKOXRWDTYSJP-UTCJRWHESA-N 1 2 331.366 3.580 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000186181804 1035598218 /nfs/dbraw/zinc/59/82/18/1035598218.db2.gz RFYJQCKPLDNVHF-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000186181804 1035598223 /nfs/dbraw/zinc/59/82/23/1035598223.db2.gz RFYJQCKPLDNVHF-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173767531 1035618047 /nfs/dbraw/zinc/61/80/47/1035618047.db2.gz VBPTXHPVCDVPDN-SNVBAGLBSA-N 1 2 334.769 3.941 20 0 EHADLO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000511489740 1035649753 /nfs/dbraw/zinc/64/97/53/1035649753.db2.gz SQXKWDPAFFAGIM-UHFFFAOYSA-N 1 2 338.879 3.619 20 0 EHADLO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000511489740 1035649758 /nfs/dbraw/zinc/64/97/58/1035649758.db2.gz SQXKWDPAFFAGIM-UHFFFAOYSA-N 1 2 338.879 3.619 20 0 EHADLO C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1ccn(C)n1 ZINC000414136103 1035701100 /nfs/dbraw/zinc/70/11/00/1035701100.db2.gz HQLZMCRAZRISII-ZANVPECISA-N 1 2 338.274 3.680 20 0 EHADLO Clc1cnc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000540824851 1035710897 /nfs/dbraw/zinc/71/08/97/1035710897.db2.gz IPKRRZOCYINFFE-UHFFFAOYSA-N 1 2 337.206 3.896 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457127893 1035762973 /nfs/dbraw/zinc/76/29/73/1035762973.db2.gz QRYNRGMEWYZVCB-RDJZCZTQSA-N 1 2 345.874 3.849 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2coc(-c3ccccc3)n2)c(C)[nH+]1 ZINC000187139770 1035768756 /nfs/dbraw/zinc/76/87/56/1035768756.db2.gz XNMVDRLEVMXCDX-HSZRJFAPSA-N 1 2 326.421 3.802 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187222667 1035773807 /nfs/dbraw/zinc/77/38/07/1035773807.db2.gz RPSACNPIWJVMRM-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)cc(Br)c3)ccc2[nH+]1 ZINC000463727964 1035775584 /nfs/dbraw/zinc/77/55/84/1035775584.db2.gz KPDPKRGUTKVRTN-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187222702 1035777523 /nfs/dbraw/zinc/77/75/23/1035777523.db2.gz RPSACNPIWJVMRM-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1ccc(CSc2nnc(-c3cccnc3)n2C2CC2)c(C)[nH+]1 ZINC000187334923 1035792027 /nfs/dbraw/zinc/79/20/27/1035792027.db2.gz ARCJKNSPJLUCJE-UHFFFAOYSA-N 1 2 337.452 3.979 20 0 EHADLO CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)Cc1ccoc1 ZINC000588169322 1035794908 /nfs/dbraw/zinc/79/49/08/1035794908.db2.gz QVINHMJQBAYLLT-UHFFFAOYSA-N 1 2 328.456 3.584 20 0 EHADLO CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)Cc1ccoc1 ZINC000588169322 1035794925 /nfs/dbraw/zinc/79/49/25/1035794925.db2.gz QVINHMJQBAYLLT-UHFFFAOYSA-N 1 2 328.456 3.584 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000535036263 1035917340 /nfs/dbraw/zinc/91/73/40/1035917340.db2.gz KWBWSNQEIFEWHY-UHFFFAOYSA-N 1 2 347.256 3.799 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cn2c1 ZINC000492508668 1035918740 /nfs/dbraw/zinc/91/87/40/1035918740.db2.gz JNGUKEIGOUXAMO-BFYDXBDKSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c(C)c[nH+]1 ZINC000535061273 1035945999 /nfs/dbraw/zinc/94/59/99/1035945999.db2.gz QELKONGPBHZUAQ-QGZVFWFLSA-N 1 2 333.382 3.917 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000188602125 1035964033 /nfs/dbraw/zinc/96/40/33/1035964033.db2.gz AITSEUDGBVADIQ-UHFFFAOYSA-N 1 2 346.434 3.686 20 0 EHADLO C[C@H](NC(=O)c1cc2sccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189154979 1036022762 /nfs/dbraw/zinc/02/27/62/1036022762.db2.gz VBLSEDJKQIMJDY-LBPRGKRZSA-N 1 2 336.420 3.906 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189234199 1036033928 /nfs/dbraw/zinc/03/39/28/1036033928.db2.gz VOVGKWLFEUZLNG-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189234199 1036033946 /nfs/dbraw/zinc/03/39/46/1036033946.db2.gz VOVGKWLFEUZLNG-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000613484160 1036038875 /nfs/dbraw/zinc/03/88/75/1036038875.db2.gz NUZKRIMQWQWPOI-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000613484160 1036038898 /nfs/dbraw/zinc/03/88/98/1036038898.db2.gz NUZKRIMQWQWPOI-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(C)cc1F)C1CC1 ZINC000613485569 1036051729 /nfs/dbraw/zinc/05/17/29/1036051729.db2.gz GEVQUBQHYMWGMT-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(C)cc1F)C1CC1 ZINC000613485569 1036051751 /nfs/dbraw/zinc/05/17/51/1036051751.db2.gz GEVQUBQHYMWGMT-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO Cc1ccccc1CNc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000189391928 1036062780 /nfs/dbraw/zinc/06/27/80/1036062780.db2.gz IYKJVWHUWQUGBW-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000457467051 1036134843 /nfs/dbraw/zinc/13/48/43/1036134843.db2.gz UEYDUIGWKPSMMY-UHFFFAOYSA-N 1 2 329.488 3.760 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CCO1 ZINC000174874399 1036148489 /nfs/dbraw/zinc/14/84/89/1036148489.db2.gz BNGFGHGKDVPLIG-QGZVFWFLSA-N 1 2 346.496 3.781 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CCO1 ZINC000174874399 1036148496 /nfs/dbraw/zinc/14/84/96/1036148496.db2.gz BNGFGHGKDVPLIG-QGZVFWFLSA-N 1 2 346.496 3.781 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000457547088 1036272573 /nfs/dbraw/zinc/27/25/73/1036272573.db2.gz ZXRQEWDTCWYXGP-KBPBESRZSA-N 1 2 340.414 3.700 20 0 EHADLO CCC1(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000457587682 1036285330 /nfs/dbraw/zinc/28/53/30/1036285330.db2.gz BOZSGJKIVXTLAI-UHFFFAOYSA-N 1 2 330.476 3.594 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000191126080 1036341261 /nfs/dbraw/zinc/34/12/61/1036341261.db2.gz WOQVHJNMNJZQMN-HNNXBMFYSA-N 1 2 331.778 3.740 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000191121914 1036341844 /nfs/dbraw/zinc/34/18/44/1036341844.db2.gz ZUAWGRGHCNXIRF-HNNXBMFYSA-N 1 2 341.411 3.958 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414270077 1036366616 /nfs/dbraw/zinc/36/66/16/1036366616.db2.gz YNQKQJGEMRPXOF-CQSZACIVSA-N 1 2 337.345 3.671 20 0 EHADLO O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000376376502 1036377864 /nfs/dbraw/zinc/37/78/64/1036377864.db2.gz LIMVLWVBLPHHKB-OAHLLOKOSA-N 1 2 340.826 3.920 20 0 EHADLO O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000376376502 1036377877 /nfs/dbraw/zinc/37/78/77/1036377877.db2.gz LIMVLWVBLPHHKB-OAHLLOKOSA-N 1 2 340.826 3.920 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOCCC(C)C)n1 ZINC000191442934 1036385389 /nfs/dbraw/zinc/38/53/89/1036385389.db2.gz BRDPIMIDLAGSCG-HNNXBMFYSA-N 1 2 340.489 3.519 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOCCC(C)C)n1 ZINC000191442934 1036385403 /nfs/dbraw/zinc/38/54/03/1036385403.db2.gz BRDPIMIDLAGSCG-HNNXBMFYSA-N 1 2 340.489 3.519 20 0 EHADLO c1cn(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)c[nH+]1 ZINC000191496586 1036392470 /nfs/dbraw/zinc/39/24/70/1036392470.db2.gz GPUPOVXQFNKVGG-UHFFFAOYSA-N 1 2 335.392 3.610 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000170893260 1036423422 /nfs/dbraw/zinc/42/34/22/1036423422.db2.gz PIEMAJGGKMTETK-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000457766762 1036469212 /nfs/dbraw/zinc/46/92/12/1036469212.db2.gz OCEWZZMDPCNFJX-CYBMUJFWSA-N 1 2 339.430 3.607 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000192139016 1036478013 /nfs/dbraw/zinc/47/80/13/1036478013.db2.gz GUDBEIMLFKKQLY-CYBMUJFWSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000192139016 1036478017 /nfs/dbraw/zinc/47/80/17/1036478017.db2.gz GUDBEIMLFKKQLY-CYBMUJFWSA-N 1 2 346.862 3.724 20 0 EHADLO CC(=O)c1ccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)cc1 ZINC000192192193 1036487816 /nfs/dbraw/zinc/48/78/16/1036487816.db2.gz AFZJPSWKWISQLX-UHFFFAOYSA-N 1 2 334.375 3.763 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457781910 1036500341 /nfs/dbraw/zinc/50/03/41/1036500341.db2.gz UYJSFPMWUJDUHE-UONOGXRCSA-N 1 2 339.430 3.607 20 0 EHADLO CCc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589603367 1036544611 /nfs/dbraw/zinc/54/46/11/1036544611.db2.gz MVNQLHXRXAVLCS-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO CCc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589603367 1036544629 /nfs/dbraw/zinc/54/46/29/1036544629.db2.gz MVNQLHXRXAVLCS-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000193125002 1036567128 /nfs/dbraw/zinc/56/71/28/1036567128.db2.gz FTGCRWZRQQQTEI-UHFFFAOYSA-N 1 2 339.370 3.923 20 0 EHADLO c1ccc2c(c1)[nH]nc2C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000589646048 1036575327 /nfs/dbraw/zinc/57/53/27/1036575327.db2.gz GBCVHVLUVFVUDE-HXUWFJFHSA-N 1 2 335.407 3.575 20 0 EHADLO CCC[N@@H+](Cc1nccn1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000170958219 1036576427 /nfs/dbraw/zinc/57/64/27/1036576427.db2.gz QBOLXHBMVYETSK-MRXNPFEDSA-N 1 2 329.444 3.516 20 0 EHADLO CCC[N@H+](Cc1nccn1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000170958219 1036576435 /nfs/dbraw/zinc/57/64/35/1036576435.db2.gz QBOLXHBMVYETSK-MRXNPFEDSA-N 1 2 329.444 3.516 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000332924751 1036582457 /nfs/dbraw/zinc/58/24/57/1036582457.db2.gz XCSVZQNZTMCXHM-DOTOQJQBSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000332924751 1036582466 /nfs/dbraw/zinc/58/24/66/1036582466.db2.gz XCSVZQNZTMCXHM-DOTOQJQBSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343831588 1036587581 /nfs/dbraw/zinc/58/75/81/1036587581.db2.gz HPVNCEZXPSFMHI-MRVPVSSYSA-N 1 2 347.337 3.590 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)ccc1=O ZINC000057084993 1036679538 /nfs/dbraw/zinc/67/95/38/1036679538.db2.gz VHLPGRZRLCZKRQ-UHFFFAOYSA-N 1 2 333.435 3.778 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)ccc1=O ZINC000057084993 1036679546 /nfs/dbraw/zinc/67/95/46/1036679546.db2.gz VHLPGRZRLCZKRQ-UHFFFAOYSA-N 1 2 333.435 3.778 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000170707765 1036693926 /nfs/dbraw/zinc/69/39/26/1036693926.db2.gz LFQHZKBGKFKIDC-UHFFFAOYSA-N 1 2 338.333 3.771 20 0 EHADLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000176886059 1036718901 /nfs/dbraw/zinc/71/89/01/1036718901.db2.gz FOPPYJMJEXBFPE-UHFFFAOYSA-N 1 2 341.798 3.811 20 0 EHADLO c1nc2ccc(C[NH2+][C@@H](CN3CCCCC3)c3ccccc3)cc2[nH]1 ZINC000590075677 1036729966 /nfs/dbraw/zinc/72/99/66/1036729966.db2.gz WBZJWEDZQNCODF-NRFANRHFSA-N 1 2 334.467 3.880 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000176953970 1036736923 /nfs/dbraw/zinc/73/69/23/1036736923.db2.gz MNIYLHSBHZNZOG-GOSISDBHSA-N 1 2 341.846 3.596 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000176953970 1036736943 /nfs/dbraw/zinc/73/69/43/1036736943.db2.gz MNIYLHSBHZNZOG-GOSISDBHSA-N 1 2 341.846 3.596 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)oc1C ZINC000590111380 1036759433 /nfs/dbraw/zinc/75/94/33/1036759433.db2.gz IQBZAJBLESKQFH-KUHUBIRLSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)oc1C ZINC000590111380 1036759450 /nfs/dbraw/zinc/75/94/50/1036759450.db2.gz IQBZAJBLESKQFH-KUHUBIRLSA-N 1 2 343.423 3.818 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCS[C@H](C(C)C)C3)sc2c1 ZINC000464777236 1036770724 /nfs/dbraw/zinc/77/07/24/1036770724.db2.gz UTYSMIVYZHIHOJ-HNNXBMFYSA-N 1 2 349.525 3.617 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@H+]3CCS[C@H](C(C)C)C3)sc2c1 ZINC000464777236 1036770738 /nfs/dbraw/zinc/77/07/38/1036770738.db2.gz UTYSMIVYZHIHOJ-HNNXBMFYSA-N 1 2 349.525 3.617 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCCc3ccccc3C2)o1 ZINC000177502419 1036861648 /nfs/dbraw/zinc/86/16/48/1036861648.db2.gz HRGWWLSQFXHWDR-UHFFFAOYSA-N 1 2 333.435 3.917 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCCc3ccccc3C2)o1 ZINC000177502419 1036861666 /nfs/dbraw/zinc/86/16/66/1036861666.db2.gz HRGWWLSQFXHWDR-UHFFFAOYSA-N 1 2 333.435 3.917 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccco1)NCc1ccc(Cl)s1 ZINC000532415228 1036887189 /nfs/dbraw/zinc/88/71/89/1036887189.db2.gz SHEPXSJOXJXXPA-CYBMUJFWSA-N 1 2 338.860 3.838 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1ccco1)NCc1ccc(Cl)s1 ZINC000532415228 1036887214 /nfs/dbraw/zinc/88/72/14/1036887214.db2.gz SHEPXSJOXJXXPA-CYBMUJFWSA-N 1 2 338.860 3.838 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314738 1036887379 /nfs/dbraw/zinc/88/73/79/1036887379.db2.gz AXSIRSQCNVRZOL-UHFFFAOYSA-N 1 2 340.471 3.643 20 0 EHADLO Cc1cc(NC(=O)c2coc(-c3ccccc3Cl)n2)c(C)c[nH+]1 ZINC000539542089 1036909870 /nfs/dbraw/zinc/90/98/70/1036909870.db2.gz BTJBCRHQHXDBLE-UHFFFAOYSA-N 1 2 327.771 3.681 20 0 EHADLO c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[nH+]cc1N1CCCCC1 ZINC000539626773 1037002366 /nfs/dbraw/zinc/00/23/66/1037002366.db2.gz VPGCTPJEVUCQQZ-UHOSZYNNSA-N 1 2 327.472 3.832 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727020 1037008753 /nfs/dbraw/zinc/00/87/53/1037008753.db2.gz HRVZBEZENJUNPK-KBPBESRZSA-N 1 2 349.887 3.881 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178348860 1037027459 /nfs/dbraw/zinc/02/74/59/1037027459.db2.gz BYOROQXSGSRHMV-UHFFFAOYSA-N 1 2 335.407 3.609 20 0 EHADLO FC(F)(F)c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000590770260 1037032027 /nfs/dbraw/zinc/03/20/27/1037032027.db2.gz IPMRSMDEFUSMRW-LLVKDONJSA-N 1 2 330.741 3.792 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733352 1037034303 /nfs/dbraw/zinc/03/43/03/1037034303.db2.gz UEUIUCWNHCKHBI-SFHVURJKSA-N 1 2 349.434 3.524 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733724 1037034925 /nfs/dbraw/zinc/03/49/25/1037034925.db2.gz UQMJKVSMXIJZND-HIFRSBDPSA-N 1 2 349.887 3.881 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1C ZINC000590787327 1037051051 /nfs/dbraw/zinc/05/10/51/1037051051.db2.gz DANXCHNYOOAHJZ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1C ZINC000590787327 1037051070 /nfs/dbraw/zinc/05/10/70/1037051070.db2.gz DANXCHNYOOAHJZ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542096542 1037068681 /nfs/dbraw/zinc/06/86/81/1037068681.db2.gz XYYMDZZAVBVZEJ-QAPCUYQASA-N 1 2 342.405 3.936 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542096542 1037068703 /nfs/dbraw/zinc/06/87/03/1037068703.db2.gz XYYMDZZAVBVZEJ-QAPCUYQASA-N 1 2 342.405 3.936 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cccc3c2OC(F)(F)O3)s1 ZINC000414372450 1037080541 /nfs/dbraw/zinc/08/05/41/1037080541.db2.gz XUSLJJZXNSXEAU-UHFFFAOYSA-N 1 2 326.368 3.798 20 0 EHADLO O=C(CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)N1CCCCC1 ZINC000104723645 1037093689 /nfs/dbraw/zinc/09/36/89/1037093689.db2.gz RAGGCANQLORDAN-UHFFFAOYSA-N 1 2 345.874 3.582 20 0 EHADLO O=C(CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)N1CCCCC1 ZINC000104723645 1037093703 /nfs/dbraw/zinc/09/37/03/1037093703.db2.gz RAGGCANQLORDAN-UHFFFAOYSA-N 1 2 345.874 3.582 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000636436771 1037096266 /nfs/dbraw/zinc/09/62/66/1037096266.db2.gz QJSZTTWGDYWDJB-NSHDSACASA-N 1 2 325.334 3.863 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000636436771 1037096284 /nfs/dbraw/zinc/09/62/84/1037096284.db2.gz QJSZTTWGDYWDJB-NSHDSACASA-N 1 2 325.334 3.863 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590862657 1037106788 /nfs/dbraw/zinc/10/67/88/1037106788.db2.gz DQOQLJUQLUCGQD-GOSISDBHSA-N 1 2 334.423 3.583 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000105062636 1037145569 /nfs/dbraw/zinc/14/55/69/1037145569.db2.gz CAXUHYGGEOPRDW-KRWDZBQOSA-N 1 2 346.862 3.767 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105163874 1037151106 /nfs/dbraw/zinc/15/11/06/1037151106.db2.gz YSCWQQGXYRRQFD-MRXNPFEDSA-N 1 2 326.444 3.643 20 0 EHADLO CCC(C)(C)CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000465128512 1037157815 /nfs/dbraw/zinc/15/78/15/1037157815.db2.gz PFJORRHECYFUQH-GOSISDBHSA-N 1 2 346.515 3.562 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccco1 ZINC000008197597 1037193419 /nfs/dbraw/zinc/19/34/19/1037193419.db2.gz BKYDNFJYTDETLW-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccco1 ZINC000008197597 1037193433 /nfs/dbraw/zinc/19/34/33/1037193433.db2.gz BKYDNFJYTDETLW-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO Cc1csc([C@@H]2CCCC[N@@H+]2Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000539816559 1037231658 /nfs/dbraw/zinc/23/16/58/1037231658.db2.gz ZPAHBPYFJAVJQZ-HNNXBMFYSA-N 1 2 327.457 3.758 20 0 EHADLO Cc1csc([C@@H]2CCCC[N@H+]2Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000539816559 1037231669 /nfs/dbraw/zinc/23/16/69/1037231669.db2.gz ZPAHBPYFJAVJQZ-HNNXBMFYSA-N 1 2 327.457 3.758 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187239209 1037264673 /nfs/dbraw/zinc/26/46/73/1037264673.db2.gz RFUZQTBHUAPFNE-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187239209 1037264690 /nfs/dbraw/zinc/26/46/90/1037264690.db2.gz RFUZQTBHUAPFNE-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO CCCn1cc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000539836083 1037266083 /nfs/dbraw/zinc/26/60/83/1037266083.db2.gz QIUVOAJMOHTNQZ-MRXNPFEDSA-N 1 2 346.906 3.825 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CSCc3ccccc32)s1 ZINC000591239112 1037284845 /nfs/dbraw/zinc/28/48/45/1037284845.db2.gz XLJJGCONEJRKCB-GXFFZTMASA-N 1 2 334.466 3.568 20 0 EHADLO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)C(F)F)N(C)C ZINC000539855986 1037286423 /nfs/dbraw/zinc/28/64/23/1037286423.db2.gz NGXHQYNTWLRQKX-ROUUACIJSA-N 1 2 348.437 3.764 20 0 EHADLO C[C@@]1(F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000539924519 1037371494 /nfs/dbraw/zinc/37/14/94/1037371494.db2.gz GKXJGWXLCZJSKS-DOTOQJQBSA-N 1 2 327.827 3.832 20 0 EHADLO C[C@@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000539924519 1037371512 /nfs/dbraw/zinc/37/15/12/1037371512.db2.gz GKXJGWXLCZJSKS-DOTOQJQBSA-N 1 2 327.827 3.832 20 0 EHADLO Cc1noc(C)c1[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301284911 1037377934 /nfs/dbraw/zinc/37/79/34/1037377934.db2.gz NXBQEGFLDLBZNK-NSHDSACASA-N 1 2 334.383 3.593 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1F ZINC000134597668 1037386420 /nfs/dbraw/zinc/38/64/20/1037386420.db2.gz DROFGHLLKJMUQT-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493451896 1037390432 /nfs/dbraw/zinc/39/04/32/1037390432.db2.gz NKXVGTXGDWREJV-BRQSLIGTSA-N 1 2 337.345 3.750 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000493481427 1037401988 /nfs/dbraw/zinc/40/19/88/1037401988.db2.gz FZGYBSWVOMHQQL-AATRIKPKSA-N 1 2 333.794 3.564 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000493530427 1037430041 /nfs/dbraw/zinc/43/00/41/1037430041.db2.gz VLMFYYLVCZQTOJ-VOTSOKGWSA-N 1 2 336.222 3.921 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nonc2C)cc1Br ZINC000924583889 1037438710 /nfs/dbraw/zinc/43/87/10/1037438710.db2.gz AWZODDRJDXGFTR-BDAKNGLRSA-N 1 2 340.221 3.561 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000171092532 1037453937 /nfs/dbraw/zinc/45/39/37/1037453937.db2.gz UBNNXXOYPDXUMI-INIZCTEOSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000171092532 1037453945 /nfs/dbraw/zinc/45/39/45/1037453945.db2.gz UBNNXXOYPDXUMI-INIZCTEOSA-N 1 2 327.428 3.572 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2c(F)cccc2F)no1)c1ccccc1 ZINC000516681575 1037459604 /nfs/dbraw/zinc/45/96/04/1037459604.db2.gz PPDMPBVLMQUQLV-KRWDZBQOSA-N 1 2 329.350 3.590 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1nc3ccsc3s1)C2 ZINC000573313570 1037462379 /nfs/dbraw/zinc/46/23/79/1037462379.db2.gz LXBKTPJZCPYLOW-SECBINFHSA-N 1 2 346.481 3.948 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661427380 1037501904 /nfs/dbraw/zinc/50/19/04/1037501904.db2.gz ZTQBJCBPPHNGMD-OAHLLOKOSA-N 1 2 331.485 3.541 20 0 EHADLO Cc1ccoc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000491501345 1037509454 /nfs/dbraw/zinc/50/94/54/1037509454.db2.gz WGWJFEQVJCCHFH-UHFFFAOYSA-N 1 2 328.393 3.730 20 0 EHADLO C[C@@H]1CCCN(c2cc(N(C)Cc3cccc4[nH]ccc43)nc[nH+]2)C1 ZINC000493606937 1037510539 /nfs/dbraw/zinc/51/05/39/1037510539.db2.gz RYVDICQTFHJVLG-OAHLLOKOSA-N 1 2 335.455 3.831 20 0 EHADLO C[C@@H]1CCCN(c2cc(N(C)Cc3cccc4[nH]ccc43)[nH+]cn2)C1 ZINC000493606937 1037510556 /nfs/dbraw/zinc/51/05/56/1037510556.db2.gz RYVDICQTFHJVLG-OAHLLOKOSA-N 1 2 335.455 3.831 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1F ZINC000532490317 1037528803 /nfs/dbraw/zinc/52/88/03/1037528803.db2.gz IXAGRBPEEOKMBQ-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1F ZINC000532490317 1037528808 /nfs/dbraw/zinc/52/88/08/1037528808.db2.gz IXAGRBPEEOKMBQ-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000613544750 1037537998 /nfs/dbraw/zinc/53/79/98/1037537998.db2.gz IKBXYBGDAHDUOT-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO Cc1c(C)c(C)c(CNC(=O)NCCCCn2cc[nH+]c2)c(C)c1C ZINC000532494305 1037539016 /nfs/dbraw/zinc/53/90/16/1037539016.db2.gz IWGNIVCMXQIHPS-UHFFFAOYSA-N 1 2 342.487 3.705 20 0 EHADLO Cc1cccnc1C[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000591689234 1037555457 /nfs/dbraw/zinc/55/54/57/1037555457.db2.gz KZDXEDQVPMSDPT-HXUWFJFHSA-N 1 2 349.409 3.999 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)s1 ZINC000760879306 1037566802 /nfs/dbraw/zinc/56/68/02/1037566802.db2.gz CQIJJOMUYJNFDL-NEPJUHHUSA-N 1 2 327.457 3.752 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000532546751 1037604822 /nfs/dbraw/zinc/60/48/22/1037604822.db2.gz UHWLBSIHIQLGOX-MRXNPFEDSA-N 1 2 348.450 3.673 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000532546751 1037604837 /nfs/dbraw/zinc/60/48/37/1037604837.db2.gz UHWLBSIHIQLGOX-MRXNPFEDSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1cc(NC2CC3(C2)CS(=O)(=O)C3)[nH+]c2c1cccc2C(C)C ZINC001168206886 1037605618 /nfs/dbraw/zinc/60/56/18/1037605618.db2.gz PBFOXUXNTHMOCT-UHFFFAOYSA-N 1 2 344.480 3.656 20 0 EHADLO COc1ccc2oc(C)c(C(=O)Nc3ccc(C)[nH+]c3N(C)C)c2c1 ZINC000152748981 1037646879 /nfs/dbraw/zinc/64/68/79/1037646879.db2.gz WGERGTKSTBXSMG-UHFFFAOYSA-N 1 2 339.395 3.772 20 0 EHADLO C[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000591807731 1037649180 /nfs/dbraw/zinc/64/91/80/1037649180.db2.gz ZDNBBPSXPUPKGA-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000591807731 1037649190 /nfs/dbraw/zinc/64/91/90/1037649190.db2.gz ZDNBBPSXPUPKGA-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1ncn(CCc2cccs2)c1=S ZINC000058207435 1037652060 /nfs/dbraw/zinc/65/20/60/1037652060.db2.gz JBKCFZQZELXBEZ-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1ncn(CCc2cccs2)c1=S ZINC000058207435 1037652067 /nfs/dbraw/zinc/65/20/67/1037652067.db2.gz JBKCFZQZELXBEZ-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO CC(C)[C@@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1cccnc1 ZINC000913710814 1037652919 /nfs/dbraw/zinc/65/29/19/1037652919.db2.gz DTMSZOSLKWOLII-HXUWFJFHSA-N 1 2 348.450 3.501 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)c(N(C)C)[nH+]1 ZINC000152778017 1037684672 /nfs/dbraw/zinc/68/46/72/1037684672.db2.gz IGBVQZYBLZJGMO-UHFFFAOYSA-N 1 2 348.406 3.896 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000463062387 1037714676 /nfs/dbraw/zinc/71/46/76/1037714676.db2.gz POGHNKYGBXFSDN-OAHLLOKOSA-N 1 2 346.544 3.658 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000046056337 1037733728 /nfs/dbraw/zinc/73/37/28/1037733728.db2.gz LHIAFYQTMRSJKR-SFHVURJKSA-N 1 2 346.858 3.506 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000046056337 1037733738 /nfs/dbraw/zinc/73/37/38/1037733738.db2.gz LHIAFYQTMRSJKR-SFHVURJKSA-N 1 2 346.858 3.506 20 0 EHADLO C[C@H](CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1)Oc1cccc(F)c1 ZINC000463070658 1037736443 /nfs/dbraw/zinc/73/64/43/1037736443.db2.gz OUWABMNSPXLDQB-LSDHHAIUSA-N 1 2 344.434 3.731 20 0 EHADLO C[C@H](CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1)Oc1cccc(F)c1 ZINC000463070658 1037736460 /nfs/dbraw/zinc/73/64/60/1037736460.db2.gz OUWABMNSPXLDQB-LSDHHAIUSA-N 1 2 344.434 3.731 20 0 EHADLO Cc1ccccc1O[C@@H](C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000463072538 1037737946 /nfs/dbraw/zinc/73/79/46/1037737946.db2.gz WHVPAYNUTYTYSA-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1ccccc1O[C@@H](C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000463072538 1037737958 /nfs/dbraw/zinc/73/79/58/1037737958.db2.gz WHVPAYNUTYTYSA-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO CC1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)CC1 ZINC001168219719 1037763664 /nfs/dbraw/zinc/76/36/64/1037763664.db2.gz MHWWLFMVLFQHMD-RUXDESIVSA-N 1 2 332.435 3.799 20 0 EHADLO CC1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)CC1 ZINC001168219719 1037763677 /nfs/dbraw/zinc/76/36/77/1037763677.db2.gz MHWWLFMVLFQHMD-RUXDESIVSA-N 1 2 332.435 3.799 20 0 EHADLO CCCOC1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000573886904 1037792805 /nfs/dbraw/zinc/79/28/05/1037792805.db2.gz LRWOUWNNVJNRJC-UHFFFAOYSA-N 1 2 330.432 3.585 20 0 EHADLO CCCc1nc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cs1 ZINC000114716332 1037808345 /nfs/dbraw/zinc/80/83/45/1037808345.db2.gz IQLWPJLFVGSAIJ-UHFFFAOYSA-N 1 2 349.544 3.757 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1F ZINC000540323802 1037816677 /nfs/dbraw/zinc/81/66/77/1037816677.db2.gz CSSBJLUHDAGUQF-JSFDKUKPSA-N 1 2 348.437 3.700 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096675 1037817699 /nfs/dbraw/zinc/81/76/99/1037817699.db2.gz NXGZNMLQERKOME-CVEARBPZSA-N 1 2 338.442 3.899 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096675 1037817721 /nfs/dbraw/zinc/81/77/21/1037817721.db2.gz NXGZNMLQERKOME-CVEARBPZSA-N 1 2 338.442 3.899 20 0 EHADLO O=C(c1ccc(-c2ccccc2F)o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378090253 1037878226 /nfs/dbraw/zinc/87/82/26/1037878226.db2.gz SWBOBIPKKOVKBT-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO O=C(c1ccc(-c2ccccc2F)o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378090253 1037878247 /nfs/dbraw/zinc/87/82/47/1037878247.db2.gz SWBOBIPKKOVKBT-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO CCN(C)c1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cn1 ZINC000492024393 1037880073 /nfs/dbraw/zinc/88/00/73/1037880073.db2.gz PVGTXDXOPREUMS-UHFFFAOYSA-N 1 2 342.365 3.569 20 0 EHADLO Clc1ccc2nc(C[NH2+][C@@H]3COc4c3cccc4Cl)cn2c1 ZINC000378091461 1037882356 /nfs/dbraw/zinc/88/23/56/1037882356.db2.gz LJRUGDSUVJWYOZ-CQSZACIVSA-N 1 2 334.206 3.864 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000532610437 1037882568 /nfs/dbraw/zinc/88/25/68/1037882568.db2.gz RKVGZVXKYSCOMI-SFHVURJKSA-N 1 2 343.471 3.906 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000532610437 1037882582 /nfs/dbraw/zinc/88/25/82/1037882582.db2.gz RKVGZVXKYSCOMI-SFHVURJKSA-N 1 2 343.471 3.906 20 0 EHADLO Cc1cccc(NC2CC[NH+](CC(=O)OCc3ccccc3)CC2)c1 ZINC000152965035 1037897869 /nfs/dbraw/zinc/89/78/69/1037897869.db2.gz UUKNSDUXTONKKG-UHFFFAOYSA-N 1 2 338.451 3.615 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(-c2cccs2)n1 ZINC000179888130 1037956660 /nfs/dbraw/zinc/95/66/60/1037956660.db2.gz QGUYDDCKWXGUNA-AWEZNQCLSA-N 1 2 345.493 3.784 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(-c2cccs2)n1 ZINC000179888130 1037956677 /nfs/dbraw/zinc/95/66/77/1037956677.db2.gz QGUYDDCKWXGUNA-AWEZNQCLSA-N 1 2 345.493 3.784 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)ccn12 ZINC000573979791 1037961630 /nfs/dbraw/zinc/96/16/30/1037961630.db2.gz OSGRVBMLRSHLNW-SFHVURJKSA-N 1 2 337.398 3.629 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000573983812 1037964031 /nfs/dbraw/zinc/96/40/31/1037964031.db2.gz DWIDVDVSBLGTGN-ZDUSSCGKSA-N 1 2 328.746 3.809 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000573983812 1037964039 /nfs/dbraw/zinc/96/40/39/1037964039.db2.gz DWIDVDVSBLGTGN-ZDUSSCGKSA-N 1 2 328.746 3.809 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000106878602 1038240911 /nfs/dbraw/zinc/24/09/11/1038240911.db2.gz RKRNAQAMCGERJK-GXTWGEPZSA-N 1 2 343.496 3.731 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000106878602 1038240925 /nfs/dbraw/zinc/24/09/25/1038240925.db2.gz RKRNAQAMCGERJK-GXTWGEPZSA-N 1 2 343.496 3.731 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000106879313 1038242710 /nfs/dbraw/zinc/24/27/10/1038242710.db2.gz YKZXXULPXJNCBV-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000106879313 1038242719 /nfs/dbraw/zinc/24/27/19/1038242719.db2.gz YKZXXULPXJNCBV-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccn2)CC1)Nc1ccc(F)cc1Cl ZINC000378263256 1038330140 /nfs/dbraw/zinc/33/01/40/1038330140.db2.gz PAVYIOKWEYNLLG-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)n1 ZINC000378266646 1038347376 /nfs/dbraw/zinc/34/73/76/1038347376.db2.gz RUIOOCRFECZZTF-CQSZACIVSA-N 1 2 341.455 3.777 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCc3ccc(C(C)=O)cc3CC2)n1 ZINC000378266646 1038347394 /nfs/dbraw/zinc/34/73/94/1038347394.db2.gz RUIOOCRFECZZTF-CQSZACIVSA-N 1 2 341.455 3.777 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659927306 1038350764 /nfs/dbraw/zinc/35/07/64/1038350764.db2.gz GHIIBHVJFHFBPN-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659927306 1038350780 /nfs/dbraw/zinc/35/07/80/1038350780.db2.gz GHIIBHVJFHFBPN-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO O=C(Nc1ccccn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378270426 1038352444 /nfs/dbraw/zinc/35/24/44/1038352444.db2.gz JYAAJGVMNSGALT-UHFFFAOYSA-N 1 2 331.379 3.641 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001168359162 1038385879 /nfs/dbraw/zinc/38/58/79/1038385879.db2.gz OOQYVWGWAWXYHA-SNGWPZLWSA-N 1 2 341.455 3.625 20 0 EHADLO CC1=CC[C@@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000667112297 1038405523 /nfs/dbraw/zinc/40/55/23/1038405523.db2.gz ALYNNXWZHYGEBJ-HXUWFJFHSA-N 1 2 328.456 3.594 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CC2)CC1 ZINC000378328300 1038472391 /nfs/dbraw/zinc/47/23/91/1038472391.db2.gz WARQSYIUBJBJPJ-GFCCVEGCSA-N 1 2 337.261 3.652 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)s1 ZINC000538725555 1038506429 /nfs/dbraw/zinc/50/64/29/1038506429.db2.gz DUBYARJHDBZGNS-HOCLYGCPSA-N 1 2 336.501 3.649 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)s1 ZINC000538725555 1038506442 /nfs/dbraw/zinc/50/64/42/1038506442.db2.gz DUBYARJHDBZGNS-HOCLYGCPSA-N 1 2 336.501 3.649 20 0 EHADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292183 1038537968 /nfs/dbraw/zinc/53/79/68/1038537968.db2.gz OQYOHYKNLCTXNB-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292183 1038537974 /nfs/dbraw/zinc/53/79/74/1038537974.db2.gz OQYOHYKNLCTXNB-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC000538786954 1038541129 /nfs/dbraw/zinc/54/11/29/1038541129.db2.gz WIVZDAMUTAJORP-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC000538786954 1038541134 /nfs/dbraw/zinc/54/11/34/1038541134.db2.gz WIVZDAMUTAJORP-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000651382735 1038658857 /nfs/dbraw/zinc/65/88/57/1038658857.db2.gz TZABLDXIQBQILI-GOSISDBHSA-N 1 2 341.846 3.618 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000116380459 1038660368 /nfs/dbraw/zinc/66/03/68/1038660368.db2.gz WYLTWUCFHVUGBP-UHFFFAOYSA-N 1 2 341.274 3.939 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000378501660 1038673823 /nfs/dbraw/zinc/67/38/23/1038673823.db2.gz WIFIUPLUDXNTIA-KRWDZBQOSA-N 1 2 338.798 3.508 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651390475 1038732138 /nfs/dbraw/zinc/73/21/38/1038732138.db2.gz ANZXZODPRKICSW-KDOFPFPSSA-N 1 2 341.430 3.511 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000539227337 1038739623 /nfs/dbraw/zinc/73/96/23/1038739623.db2.gz ZTPLXILMKKFVFT-MRXNPFEDSA-N 1 2 334.423 3.610 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(c2ccccc2F)C1 ZINC000378608550 1038760114 /nfs/dbraw/zinc/76/01/14/1038760114.db2.gz NDQVQMNSLARECJ-UHFFFAOYSA-N 1 2 333.366 3.551 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000378616941 1038773479 /nfs/dbraw/zinc/77/34/79/1038773479.db2.gz QLKPXDARTKDBOR-CYBMUJFWSA-N 1 2 341.436 3.680 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)C[C@H]1CC1(C)C ZINC000668814768 1038778467 /nfs/dbraw/zinc/77/84/67/1038778467.db2.gz UFGMYHUORVSFNZ-CYBMUJFWSA-N 1 2 329.893 3.612 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000668814768 1038778478 /nfs/dbraw/zinc/77/84/78/1038778478.db2.gz UFGMYHUORVSFNZ-CYBMUJFWSA-N 1 2 329.893 3.612 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000539334714 1038784221 /nfs/dbraw/zinc/78/42/21/1038784221.db2.gz GQWPLBHRIPPYPH-NSHDSACASA-N 1 2 329.271 3.733 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCCN1Cc1c[nH+]c2n1CCC2 ZINC000667568410 1038828362 /nfs/dbraw/zinc/82/83/62/1038828362.db2.gz CQWRQUOHJCUMDU-GOSISDBHSA-N 1 2 335.455 3.536 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000462195008 1038850238 /nfs/dbraw/zinc/85/02/38/1038850238.db2.gz YJFDBDDHFVCZON-GOEBONIOSA-N 1 2 337.533 3.961 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)C[C@](C)(C(F)F)O1 ZINC000668822462 1038867419 /nfs/dbraw/zinc/86/74/19/1038867419.db2.gz WIDTVRSBZZMHBF-BJOHPYRUSA-N 1 2 330.762 3.726 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)C[C@](C)(C(F)F)O1 ZINC000668822462 1038867443 /nfs/dbraw/zinc/86/74/43/1038867443.db2.gz WIDTVRSBZZMHBF-BJOHPYRUSA-N 1 2 330.762 3.726 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000668825674 1038881921 /nfs/dbraw/zinc/88/19/21/1038881921.db2.gz WUOILLMFOGGCQL-SCLBCKFNSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000668825674 1038881945 /nfs/dbraw/zinc/88/19/45/1038881945.db2.gz WUOILLMFOGGCQL-SCLBCKFNSA-N 1 2 335.398 3.630 20 0 EHADLO c1cc(CNc2[nH+]c3ccccc3n2CC2CC2)n(-c2ccccn2)n1 ZINC000905427212 1038888476 /nfs/dbraw/zinc/88/84/76/1038888476.db2.gz XLERDDFNJDYLKU-UHFFFAOYSA-N 1 2 344.422 3.639 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000416697625 1038916051 /nfs/dbraw/zinc/91/60/51/1038916051.db2.gz VNQAQBKLRYCGMB-QZTJIDSGSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@H](C1CC1)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249377622 1039017266 /nfs/dbraw/zinc/01/72/66/1039017266.db2.gz MTHMZHZWWAULLT-OWCLPIDISA-N 1 2 345.487 3.558 20 0 EHADLO C[C@H](C1CC1)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249377622 1039017283 /nfs/dbraw/zinc/01/72/83/1039017283.db2.gz MTHMZHZWWAULLT-OWCLPIDISA-N 1 2 345.487 3.558 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778898 1039086983 /nfs/dbraw/zinc/08/69/83/1039086983.db2.gz RDIQHEJNIFAIEL-UHFFFAOYSA-N 1 2 348.418 3.786 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778898 1039086993 /nfs/dbraw/zinc/08/69/93/1039086993.db2.gz RDIQHEJNIFAIEL-UHFFFAOYSA-N 1 2 348.418 3.786 20 0 EHADLO CC(C)(C)c1cc(C(=O)NCCc2[nH]cc[nH+]2)cc(C(C)(C)C)c1O ZINC000182417261 1039106333 /nfs/dbraw/zinc/10/63/33/1039106333.db2.gz DSJXCKSAHKUFRW-UHFFFAOYSA-N 1 2 343.471 3.683 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nc3ccc(F)cc3s1)C2 ZINC000668845888 1039117038 /nfs/dbraw/zinc/11/70/38/1039117038.db2.gz JESCBNLUGYPXOP-UHFFFAOYSA-N 1 2 344.459 3.753 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nc3ccc(F)cc3s1)C2 ZINC000668845888 1039117047 /nfs/dbraw/zinc/11/70/47/1039117047.db2.gz JESCBNLUGYPXOP-UHFFFAOYSA-N 1 2 344.459 3.753 20 0 EHADLO CC[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Oc1cccc(C)c1 ZINC000488392116 1039138973 /nfs/dbraw/zinc/13/89/73/1039138973.db2.gz DCJJRKSLQYPFLW-LJQANCHMSA-N 1 2 349.434 3.768 20 0 EHADLO Cc1cccn2cc(CC(=O)N(c3nc4ccccc4o3)C3CC3)[nH+]c12 ZINC000905870725 1039150791 /nfs/dbraw/zinc/15/07/91/1039150791.db2.gz BKTPTFXFZYKZJZ-UHFFFAOYSA-N 1 2 346.390 3.522 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(F)c(-c2ccsc2)n1 ZINC000418946957 1039163044 /nfs/dbraw/zinc/16/30/44/1039163044.db2.gz RZOCVWOVQIYMIX-UHFFFAOYSA-N 1 2 343.431 3.513 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000432784176 1039166717 /nfs/dbraw/zinc/16/67/17/1039166717.db2.gz NIIPEPKLOOXFKE-CYBMUJFWSA-N 1 2 346.475 3.750 20 0 EHADLO CO[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000614053628 1039171118 /nfs/dbraw/zinc/17/11/18/1039171118.db2.gz ACVMYAARZZWAST-MAUKXSAKSA-N 1 2 339.439 3.640 20 0 EHADLO CC[N@H+](Cc1nn(C)cc1Br)[C@H](C)Cc1ccsc1 ZINC000432790648 1039195905 /nfs/dbraw/zinc/19/59/05/1039195905.db2.gz DAQXQRWPFLMHTL-LLVKDONJSA-N 1 2 342.306 3.697 20 0 EHADLO CC[N@@H+](Cc1nn(C)cc1Br)[C@H](C)Cc1ccsc1 ZINC000432790648 1039195908 /nfs/dbraw/zinc/19/59/08/1039195908.db2.gz DAQXQRWPFLMHTL-LLVKDONJSA-N 1 2 342.306 3.697 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)c(C)[nH+]1 ZINC000905984833 1039222761 /nfs/dbraw/zinc/22/27/61/1039222761.db2.gz UWEOCYTYIDTPGQ-BEFAXECRSA-N 1 2 342.414 3.748 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)oc1C ZINC000432807712 1039311887 /nfs/dbraw/zinc/31/18/87/1039311887.db2.gz FWIJSMGWRDVIKP-PRXAMGSTSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)oc1C ZINC000432807712 1039311902 /nfs/dbraw/zinc/31/19/02/1039311902.db2.gz FWIJSMGWRDVIKP-PRXAMGSTSA-N 1 2 349.452 3.959 20 0 EHADLO CCc1ncc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000668522636 1039337163 /nfs/dbraw/zinc/33/71/63/1039337163.db2.gz CAGWUCYMYINCIP-UHFFFAOYSA-N 1 2 336.464 3.721 20 0 EHADLO CCc1ncc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000668522636 1039337181 /nfs/dbraw/zinc/33/71/81/1039337181.db2.gz CAGWUCYMYINCIP-UHFFFAOYSA-N 1 2 336.464 3.721 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccnc(C)n2)c2ccc(F)cc2)cc1 ZINC000339209706 1039337702 /nfs/dbraw/zinc/33/77/02/1039337702.db2.gz RQUDJTPTZCXRAS-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO c1cc(CN2CCS[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667642952 1039340171 /nfs/dbraw/zinc/34/01/71/1039340171.db2.gz PKKDPXZFKDNCMG-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1C ZINC000431917305 1039343448 /nfs/dbraw/zinc/34/34/48/1039343448.db2.gz VPPIHEZDTISMEG-AYOQOUSVSA-N 1 2 338.451 3.715 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1nn(C)cc1Br ZINC000432815117 1039349199 /nfs/dbraw/zinc/34/91/99/1039349199.db2.gz CITIGWMKEOZOAJ-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nn(C)cc1Br ZINC000432815117 1039349210 /nfs/dbraw/zinc/34/92/10/1039349210.db2.gz CITIGWMKEOZOAJ-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H](C)c1ccccc1 ZINC000554465868 1039366288 /nfs/dbraw/zinc/36/62/88/1039366288.db2.gz BKXGQTBXGMQCCN-JKSUJKDBSA-N 1 2 349.438 3.640 20 0 EHADLO CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000345045427 1039424101 /nfs/dbraw/zinc/42/41/01/1039424101.db2.gz UTAHWJHBGCXZCV-RBUKOAKNSA-N 1 2 346.434 3.882 20 0 EHADLO CC(C)[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000345045426 1039424938 /nfs/dbraw/zinc/42/49/38/1039424938.db2.gz UTAHWJHBGCXZCV-OALUTQOASA-N 1 2 346.434 3.882 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906302880 1039458872 /nfs/dbraw/zinc/45/88/72/1039458872.db2.gz UDVIOXSMRQGHPD-KSSFIOAISA-N 1 2 326.444 3.595 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906302880 1039458886 /nfs/dbraw/zinc/45/88/86/1039458886.db2.gz UDVIOXSMRQGHPD-KSSFIOAISA-N 1 2 326.444 3.595 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(C)c1 ZINC000554541715 1039461173 /nfs/dbraw/zinc/46/11/73/1039461173.db2.gz VNSOWKOXMQRXOP-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Br)o1)CO2 ZINC000480362168 1039475791 /nfs/dbraw/zinc/47/57/91/1039475791.db2.gz YGFRMALDDVYZLG-LLVKDONJSA-N 1 2 328.593 3.919 20 0 EHADLO Cc1ccc([C@H]2COCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000408408716 1039487268 /nfs/dbraw/zinc/48/72/68/1039487268.db2.gz QDRHPYAXMJVTKJ-OAHLLOKOSA-N 1 2 329.400 3.514 20 0 EHADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000432831351 1039499356 /nfs/dbraw/zinc/49/93/56/1039499356.db2.gz JJVRCDSHKYCFPW-KRWDZBQOSA-N 1 2 348.288 3.736 20 0 EHADLO Cn1cc(Br)c(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000432831351 1039499370 /nfs/dbraw/zinc/49/93/70/1039499370.db2.gz JJVRCDSHKYCFPW-KRWDZBQOSA-N 1 2 348.288 3.736 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485758959 1039501447 /nfs/dbraw/zinc/50/14/47/1039501447.db2.gz BHANIVBXHAJMTF-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485758959 1039501466 /nfs/dbraw/zinc/50/14/66/1039501466.db2.gz BHANIVBXHAJMTF-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249875 1039529393 /nfs/dbraw/zinc/52/93/93/1039529393.db2.gz RYIFEBPFWZAZML-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932249875 1039529402 /nfs/dbraw/zinc/52/94/02/1039529402.db2.gz RYIFEBPFWZAZML-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c(C)[nH+]1 ZINC000911879226 1039561929 /nfs/dbraw/zinc/56/19/29/1039561929.db2.gz QAJMHNGCOXAYAU-UHFFFAOYSA-N 1 2 330.325 3.513 20 0 EHADLO CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1(C)C ZINC001126841550 1039591287 /nfs/dbraw/zinc/59/12/87/1039591287.db2.gz ANJAQCGZYNKWFL-SJORKVTESA-N 1 2 343.471 3.699 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000485830732 1039592302 /nfs/dbraw/zinc/59/23/02/1039592302.db2.gz OFPHLTGKABLXLM-SFHVURJKSA-N 1 2 343.858 3.716 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000485830732 1039592314 /nfs/dbraw/zinc/59/23/14/1039592314.db2.gz OFPHLTGKABLXLM-SFHVURJKSA-N 1 2 343.858 3.716 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C2CCCC2)n1 ZINC000906472371 1039593262 /nfs/dbraw/zinc/59/32/62/1039593262.db2.gz IFZHNDBZSABNEC-UHFFFAOYSA-N 1 2 335.411 3.720 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)s1 ZINC000667682316 1039610062 /nfs/dbraw/zinc/61/00/62/1039610062.db2.gz HBDLMYZNSIHIIK-MRXNPFEDSA-N 1 2 332.469 3.505 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)s1 ZINC000667682316 1039610066 /nfs/dbraw/zinc/61/00/66/1039610066.db2.gz HBDLMYZNSIHIIK-MRXNPFEDSA-N 1 2 332.469 3.505 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000906559796 1039627223 /nfs/dbraw/zinc/62/72/23/1039627223.db2.gz PWPRAFXTFPZDQL-KRWDZBQOSA-N 1 2 346.434 3.786 20 0 EHADLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000898907708 1039695713 /nfs/dbraw/zinc/69/57/13/1039695713.db2.gz WMLLDQKVKFDYDY-GFCCVEGCSA-N 1 2 339.361 3.557 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ccn(C4CCCC4)n3)[nH+]cn2)C1 ZINC000154752824 1039711996 /nfs/dbraw/zinc/71/19/96/1039711996.db2.gz ZJVQRKNWRGCWJA-OAHLLOKOSA-N 1 2 340.475 3.637 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ccn(C4CCCC4)n3)nc[nH+]2)C1 ZINC000154752824 1039712011 /nfs/dbraw/zinc/71/20/11/1039712011.db2.gz ZJVQRKNWRGCWJA-OAHLLOKOSA-N 1 2 340.475 3.637 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000007878454 1039728483 /nfs/dbraw/zinc/72/84/83/1039728483.db2.gz AVMXXJCUAKZDAK-CYBMUJFWSA-N 1 2 330.453 3.705 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000007878454 1039728501 /nfs/dbraw/zinc/72/85/01/1039728501.db2.gz AVMXXJCUAKZDAK-CYBMUJFWSA-N 1 2 330.453 3.705 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000041130593 1039732179 /nfs/dbraw/zinc/73/21/79/1039732179.db2.gz XULVXUVBBBCADU-LJQANCHMSA-N 1 2 337.467 3.560 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511623236 1039748203 /nfs/dbraw/zinc/74/82/03/1039748203.db2.gz NDJFIUGZRREIJV-BASYENTBSA-N 1 2 334.891 3.980 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511623236 1039748217 /nfs/dbraw/zinc/74/82/17/1039748217.db2.gz NDJFIUGZRREIJV-BASYENTBSA-N 1 2 334.891 3.980 20 0 EHADLO CCC1CCC(N(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)CC1 ZINC000485994206 1039765903 /nfs/dbraw/zinc/76/59/03/1039765903.db2.gz YUUUMHNVMPUFRO-UHFFFAOYSA-N 1 2 340.471 3.977 20 0 EHADLO O=S1(=O)CCC(CCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553094216 1039768624 /nfs/dbraw/zinc/76/86/24/1039768624.db2.gz WZDYTTOFTNUFMQ-UHFFFAOYSA-N 1 2 338.860 3.515 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CCC=CCCC1)c1ccccc1 ZINC000906842234 1039775373 /nfs/dbraw/zinc/77/53/73/1039775373.db2.gz VQPGAIMUIPFHST-OALUTQOASA-N 1 2 337.467 3.957 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC(C)(C)C(C)(C)C)cn2c1 ZINC000480622764 1039787259 /nfs/dbraw/zinc/78/72/59/1039787259.db2.gz CTLCCBCOLKWXHV-UHFFFAOYSA-N 1 2 333.501 3.817 20 0 EHADLO CC(C)c1ccc2ncnc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000663854691 1039829803 /nfs/dbraw/zinc/82/98/03/1039829803.db2.gz WBLJOBSGBRHLEF-QGZVFWFLSA-N 1 2 334.423 3.806 20 0 EHADLO COc1nccc(C[NH2+]Cc2cccc(C)c2Br)c1F ZINC000893936487 1039848581 /nfs/dbraw/zinc/84/85/81/1039848581.db2.gz XBPDXIXUUXSHBN-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CO[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1Cl ZINC000907031231 1039894522 /nfs/dbraw/zinc/89/45/22/1039894522.db2.gz HWXLBKFARXNOII-MRXNPFEDSA-N 1 2 332.831 3.778 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000554883907 1039906919 /nfs/dbraw/zinc/90/69/19/1039906919.db2.gz GHROQHSPVVLTFD-KRWDZBQOSA-N 1 2 339.357 3.717 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000554883907 1039906934 /nfs/dbraw/zinc/90/69/34/1039906934.db2.gz GHROQHSPVVLTFD-KRWDZBQOSA-N 1 2 339.357 3.717 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)[nH]c1C(C)C ZINC000893996040 1039933525 /nfs/dbraw/zinc/93/35/25/1039933525.db2.gz YGHLQGKNNJWSMU-HNNXBMFYSA-N 1 2 331.416 3.558 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)[nH]c1C(C)C ZINC000893996040 1039933536 /nfs/dbraw/zinc/93/35/36/1039933536.db2.gz YGHLQGKNNJWSMU-HNNXBMFYSA-N 1 2 331.416 3.558 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc4[nH]c(=O)oc43)CCO2)cc1 ZINC000893986447 1039941080 /nfs/dbraw/zinc/94/10/80/1039941080.db2.gz SZJWHNFZHDMBCK-SFHVURJKSA-N 1 2 338.407 3.669 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc4[nH]c(=O)oc43)CCO2)cc1 ZINC000893986447 1039941090 /nfs/dbraw/zinc/94/10/90/1039941090.db2.gz SZJWHNFZHDMBCK-SFHVURJKSA-N 1 2 338.407 3.669 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479092014 1039943372 /nfs/dbraw/zinc/94/33/72/1039943372.db2.gz CSPJVWMJQVEUES-GOEBONIOSA-N 1 2 328.843 3.984 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479092014 1039943387 /nfs/dbraw/zinc/94/33/87/1039943387.db2.gz CSPJVWMJQVEUES-GOEBONIOSA-N 1 2 328.843 3.984 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479101382 1039970049 /nfs/dbraw/zinc/97/00/49/1039970049.db2.gz GYLPRYGJYMURGA-MRXNPFEDSA-N 1 2 344.842 3.604 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479101382 1039970059 /nfs/dbraw/zinc/97/00/59/1039970059.db2.gz GYLPRYGJYMURGA-MRXNPFEDSA-N 1 2 344.842 3.604 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553386207 1040041318 /nfs/dbraw/zinc/04/13/18/1040041318.db2.gz YWWGBDBQPSTJNU-KRWDZBQOSA-N 1 2 347.418 3.554 20 0 EHADLO c1csc(Cc2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000555008200 1040050397 /nfs/dbraw/zinc/05/03/97/1040050397.db2.gz TWLUADUCAAYSAZ-UHFFFAOYSA-N 1 2 336.420 3.558 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000899120602 1040051922 /nfs/dbraw/zinc/05/19/22/1040051922.db2.gz LSSSXMNQSTUTJU-RYDOXABHSA-N 1 2 327.472 3.747 20 0 EHADLO O=C(c1cc2sccc2s1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000473031711 1040085704 /nfs/dbraw/zinc/08/57/04/1040085704.db2.gz AHTNEGRQFVLSEZ-CYBMUJFWSA-N 1 2 332.494 3.829 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000332786890 1040111878 /nfs/dbraw/zinc/11/18/78/1040111878.db2.gz VFFUSKBLGFVMQQ-IXDOHACOSA-N 1 2 330.476 3.589 20 0 EHADLO O=C(NCc1ccccc1)[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000480919480 1040167244 /nfs/dbraw/zinc/16/72/44/1040167244.db2.gz XVHLOXLQNRVOEI-NRFANRHFSA-N 1 2 348.421 3.973 20 0 EHADLO Cc1ccoc1CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811364 1040177063 /nfs/dbraw/zinc/17/70/63/1040177063.db2.gz SLXRELGMWIFGBI-HNNXBMFYSA-N 1 2 341.455 3.575 20 0 EHADLO Cc1ccoc1CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811364 1040177071 /nfs/dbraw/zinc/17/70/71/1040177071.db2.gz SLXRELGMWIFGBI-HNNXBMFYSA-N 1 2 341.455 3.575 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C3(C)CC=CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923964876 1040179152 /nfs/dbraw/zinc/17/91/52/1040179152.db2.gz KCDYLLGSGBTQOC-RDJZCZTQSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C3(C)CC=CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923964876 1040179160 /nfs/dbraw/zinc/17/91/60/1040179160.db2.gz KCDYLLGSGBTQOC-RDJZCZTQSA-N 1 2 339.439 3.639 20 0 EHADLO CSC1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000907816189 1040185359 /nfs/dbraw/zinc/18/53/59/1040185359.db2.gz RNYLFLCVIOLESO-AWEZNQCLSA-N 1 2 347.528 3.717 20 0 EHADLO CSC1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000907816189 1040185364 /nfs/dbraw/zinc/18/53/64/1040185364.db2.gz RNYLFLCVIOLESO-AWEZNQCLSA-N 1 2 347.528 3.717 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000667476766 1040190439 /nfs/dbraw/zinc/19/04/39/1040190439.db2.gz JGVJEMODJKDQQP-UHFFFAOYSA-N 1 2 332.469 3.582 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000667476766 1040190453 /nfs/dbraw/zinc/19/04/53/1040190453.db2.gz JGVJEMODJKDQQP-UHFFFAOYSA-N 1 2 332.469 3.582 20 0 EHADLO CCOc1ccccc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923808854 1040210967 /nfs/dbraw/zinc/21/09/67/1040210967.db2.gz QHRFFUJFHBAIRE-OAHLLOKOSA-N 1 2 326.400 3.967 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000489874979 1040232760 /nfs/dbraw/zinc/23/27/60/1040232760.db2.gz XPRIOUMMIKGPSJ-MOPGFXCFSA-N 1 2 339.483 3.641 20 0 EHADLO Cc1cccc(-c2nc(CC(=O)Nc3ccn4cc[nH+]c4c3)cs2)c1 ZINC000480995874 1040258204 /nfs/dbraw/zinc/25/82/04/1040258204.db2.gz YUQJEWGTMHZHIY-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1nc(NCC(C)(C)C(F)(F)F)c(Br)c(C)[nH+]1 ZINC000663878300 1040268584 /nfs/dbraw/zinc/26/85/84/1040268584.db2.gz HSZUERBTQWNSHL-UHFFFAOYSA-N 1 2 326.160 3.856 20 0 EHADLO CCn1nncc1C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000417887770 1040288973 /nfs/dbraw/zinc/28/89/73/1040288973.db2.gz KJPCQNVUPDSFSA-MRXNPFEDSA-N 1 2 332.860 3.892 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000667500852 1040306190 /nfs/dbraw/zinc/30/61/90/1040306190.db2.gz CXDJGCNKVPDIHA-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000667500852 1040306207 /nfs/dbraw/zinc/30/62/07/1040306207.db2.gz CXDJGCNKVPDIHA-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO O=C(NCc1ccc(Cl)cc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000490012592 1040307492 /nfs/dbraw/zinc/30/74/92/1040307492.db2.gz BIUYFADLICTAQC-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000490064951 1040330886 /nfs/dbraw/zinc/33/08/86/1040330886.db2.gz VKDDKVJDQLPARY-QGZVFWFLSA-N 1 2 341.430 3.649 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000490064951 1040330892 /nfs/dbraw/zinc/33/08/92/1040330892.db2.gz VKDDKVJDQLPARY-QGZVFWFLSA-N 1 2 341.430 3.649 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000152137184 1040334995 /nfs/dbraw/zinc/33/49/95/1040334995.db2.gz FVFKGSNILPLCDQ-OXJNMPFZSA-N 1 2 349.434 3.512 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c(C)c1OC ZINC000908218508 1040357594 /nfs/dbraw/zinc/35/75/94/1040357594.db2.gz AKFQOJIJWBSBAF-CQSZACIVSA-N 1 2 342.439 3.823 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)s1 ZINC000293073524 1040366409 /nfs/dbraw/zinc/36/64/09/1040366409.db2.gz ZSVINMLVGHADLR-SECBINFHSA-N 1 2 328.279 3.712 20 0 EHADLO CC[N@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(OC)cc1OC ZINC000667515495 1040379162 /nfs/dbraw/zinc/37/91/62/1040379162.db2.gz BQMGIZJIBVHCFI-UHFFFAOYSA-N 1 2 343.471 3.727 20 0 EHADLO CC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(OC)cc1OC ZINC000667515495 1040379179 /nfs/dbraw/zinc/37/91/79/1040379179.db2.gz BQMGIZJIBVHCFI-UHFFFAOYSA-N 1 2 343.471 3.727 20 0 EHADLO FC(F)(F)c1ccc(C2(Nc3ccn4cc[nH+]c4c3)COC2)cc1 ZINC001168375748 1040400892 /nfs/dbraw/zinc/40/08/92/1040400892.db2.gz BYWPHZLMISOMFY-UHFFFAOYSA-N 1 2 333.313 3.691 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000669041769 1040418109 /nfs/dbraw/zinc/41/81/09/1040418109.db2.gz PBKBUXSVFVNPPP-QAPCUYQASA-N 1 2 341.455 3.745 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001143508678 1040419725 /nfs/dbraw/zinc/41/97/25/1040419725.db2.gz QCMRHEBHYWZRST-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001143508678 1040419735 /nfs/dbraw/zinc/41/97/35/1040419735.db2.gz QCMRHEBHYWZRST-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO CC(C)[C@H]1N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1(C)C ZINC000908380889 1040422734 /nfs/dbraw/zinc/42/27/34/1040422734.db2.gz PCUFOPHGXKPDPK-GOSISDBHSA-N 1 2 340.471 3.502 20 0 EHADLO COc1cc(N2CC[NH+](Cc3ccsc3Cl)CC2)ccc1F ZINC000555341571 1040438441 /nfs/dbraw/zinc/43/84/41/1040438441.db2.gz HERQIFWZVVHULP-UHFFFAOYSA-N 1 2 340.851 3.871 20 0 EHADLO CC(C)(C)c1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)no1 ZINC000582113263 1040453165 /nfs/dbraw/zinc/45/31/65/1040453165.db2.gz ONISWUDGWSEJSM-HDJSIYSDSA-N 1 2 342.443 3.520 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246999729 1040484933 /nfs/dbraw/zinc/48/49/33/1040484933.db2.gz TVHRITAQWDFLFZ-HIFRSBDPSA-N 1 2 345.512 3.884 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246999729 1040484940 /nfs/dbraw/zinc/48/49/40/1040484940.db2.gz TVHRITAQWDFLFZ-HIFRSBDPSA-N 1 2 345.512 3.884 20 0 EHADLO CCc1c(NCc2c[nH+]cn2CC)cnn1-c1ccc(Cl)cc1 ZINC000418038199 1040487097 /nfs/dbraw/zinc/48/70/97/1040487097.db2.gz RMSNJNXQLAEHIH-UHFFFAOYSA-N 1 2 329.835 3.917 20 0 EHADLO OCCC[N@H+](Cc1nc(C2CCCC2)no1)[C@H]1CCc2ccccc21 ZINC000155075252 1040487283 /nfs/dbraw/zinc/48/72/83/1040487283.db2.gz NTDFRQYRGVCAFR-SFHVURJKSA-N 1 2 341.455 3.599 20 0 EHADLO OCCC[N@@H+](Cc1nc(C2CCCC2)no1)[C@H]1CCc2ccccc21 ZINC000155075252 1040487293 /nfs/dbraw/zinc/48/72/93/1040487293.db2.gz NTDFRQYRGVCAFR-SFHVURJKSA-N 1 2 341.455 3.599 20 0 EHADLO O[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C12CCCC2 ZINC000433024888 1040487195 /nfs/dbraw/zinc/48/71/95/1040487195.db2.gz ZQAFSEAYURYRPY-ZDUSSCGKSA-N 1 2 346.215 3.607 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C12CCCC2 ZINC000433024888 1040487206 /nfs/dbraw/zinc/48/72/06/1040487206.db2.gz ZQAFSEAYURYRPY-ZDUSSCGKSA-N 1 2 346.215 3.607 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000667840979 1040508253 /nfs/dbraw/zinc/50/82/53/1040508253.db2.gz NLOGWNXYAOPJAH-HZPDHXFCSA-N 1 2 343.858 3.763 20 0 EHADLO CC[N@H+](Cn1c(=S)nc2nc(C)c(C)c(C)n21)C1CCCCC1 ZINC000123102987 1040534639 /nfs/dbraw/zinc/53/46/39/1040534639.db2.gz ZDWVWQHSFKATSE-UHFFFAOYSA-N 1 2 333.505 3.798 20 0 EHADLO CC[N@@H+](Cn1c(=S)nc2nc(C)c(C)c(C)n21)C1CCCCC1 ZINC000123102987 1040534662 /nfs/dbraw/zinc/53/46/62/1040534662.db2.gz ZDWVWQHSFKATSE-UHFFFAOYSA-N 1 2 333.505 3.798 20 0 EHADLO Brc1c[nH+]c2ccccc2c1NC1(C2CCOCC2)CC1 ZINC001167747373 1040561525 /nfs/dbraw/zinc/56/15/25/1040561525.db2.gz UBXMTVCYCCITIP-UHFFFAOYSA-N 1 2 347.256 3.790 20 0 EHADLO CC(C)[N@H+](C)Cc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000031643413 1040585748 /nfs/dbraw/zinc/58/57/48/1040585748.db2.gz MVDIJVXDBPTDIJ-UDWIEESQSA-N 1 2 341.411 3.760 20 0 EHADLO CC(C)[N@@H+](C)Cc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000031643413 1040585761 /nfs/dbraw/zinc/58/57/61/1040585761.db2.gz MVDIJVXDBPTDIJ-UDWIEESQSA-N 1 2 341.411 3.760 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000490567645 1040613792 /nfs/dbraw/zinc/61/37/92/1040613792.db2.gz MKGBWGIEDFYJBN-OXQOHEQNSA-N 1 2 341.451 3.980 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000490567645 1040613803 /nfs/dbraw/zinc/61/38/03/1040613803.db2.gz MKGBWGIEDFYJBN-OXQOHEQNSA-N 1 2 341.451 3.980 20 0 EHADLO CC(C)c1noc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951522 1040624498 /nfs/dbraw/zinc/62/44/98/1040624498.db2.gz HHGXNTVDSUAPAG-HZPDHXFCSA-N 1 2 329.444 3.871 20 0 EHADLO CC(C)c1noc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951522 1040624507 /nfs/dbraw/zinc/62/45/07/1040624507.db2.gz HHGXNTVDSUAPAG-HZPDHXFCSA-N 1 2 329.444 3.871 20 0 EHADLO c1ccc(CC[N@H+](Cc2nc(C3CCCC3)no2)[C@H]2CCOC2)cc1 ZINC000155321252 1040640423 /nfs/dbraw/zinc/64/04/23/1040640423.db2.gz ZZOQZPMKEYQJHD-SFHVURJKSA-N 1 2 341.455 3.561 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nc(C3CCCC3)no2)[C@H]2CCOC2)cc1 ZINC000155321252 1040640429 /nfs/dbraw/zinc/64/04/29/1040640429.db2.gz ZZOQZPMKEYQJHD-SFHVURJKSA-N 1 2 341.455 3.561 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553991551 1040651118 /nfs/dbraw/zinc/65/11/18/1040651118.db2.gz BQSVTGNACFJBEM-DYVFJYSZSA-N 1 2 346.471 3.975 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553991551 1040651130 /nfs/dbraw/zinc/65/11/30/1040651130.db2.gz BQSVTGNACFJBEM-DYVFJYSZSA-N 1 2 346.471 3.975 20 0 EHADLO Nc1[nH+]cccc1COc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000663976584 1040677624 /nfs/dbraw/zinc/67/76/24/1040677624.db2.gz WOMHVVZDDFQDAJ-UHFFFAOYSA-N 1 2 325.412 3.762 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cc2cn[nH]c2cc1C)c1ccccc1 ZINC000481326725 1040691368 /nfs/dbraw/zinc/69/13/68/1040691368.db2.gz ZDMFERFKTAUTBB-IBGZPJMESA-N 1 2 336.439 3.893 20 0 EHADLO CCC(=O)Nc1cccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1 ZINC000366527278 1040693447 /nfs/dbraw/zinc/69/34/47/1040693447.db2.gz XDNPGXQUMWGECR-UHFFFAOYSA-N 1 2 348.406 3.986 20 0 EHADLO Brc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1csnn1 ZINC000668743829 1040727106 /nfs/dbraw/zinc/72/71/06/1040727106.db2.gz WVVLNRYGWSDYMW-CQSZACIVSA-N 1 2 338.274 3.858 20 0 EHADLO Cc1[nH]c(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)[nH+]c1C ZINC000600147696 1040731657 /nfs/dbraw/zinc/73/16/57/1040731657.db2.gz IDVIEZQQFNVHEZ-JYJNAYRXSA-N 1 2 333.476 3.501 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3conc3Cc3ccccc3)nc2c1 ZINC000555537481 1040763420 /nfs/dbraw/zinc/76/34/20/1040763420.db2.gz SDMNBIXMVKUORK-UHFFFAOYSA-N 1 2 332.407 3.511 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1Br ZINC000487202966 1040772698 /nfs/dbraw/zinc/77/26/98/1040772698.db2.gz RLDSZJMUJCDVIJ-VXGBXAGGSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1[nH]c(CN2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000600181023 1040787164 /nfs/dbraw/zinc/78/71/64/1040787164.db2.gz PKLODWZVWPAFTI-INIZCTEOSA-N 1 2 341.455 3.862 20 0 EHADLO Cc1cccc(/C=C\C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000490919731 1040820427 /nfs/dbraw/zinc/82/04/27/1040820427.db2.gz QMKSYGQHSJKLTN-HJWRWDBZSA-N 1 2 331.419 3.569 20 0 EHADLO CC[C@@H](C(=O)N1CCCCC[C@H]1c1ccco1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555559640 1040830847 /nfs/dbraw/zinc/83/08/47/1040830847.db2.gz QYYBFJSMFVSQGH-SQNIBIBYSA-N 1 2 348.487 3.613 20 0 EHADLO CC[C@@H](C(=O)N1CCCCC[C@H]1c1ccco1)[N@H+]1CCO[C@H](CC)C1 ZINC000555559640 1040830865 /nfs/dbraw/zinc/83/08/65/1040830865.db2.gz QYYBFJSMFVSQGH-SQNIBIBYSA-N 1 2 348.487 3.613 20 0 EHADLO CC[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CCO[C@H](CC)C3)c2C)CCO1 ZINC000664028097 1040874401 /nfs/dbraw/zinc/87/44/01/1040874401.db2.gz LWJIWGPGWUCFKW-YYIAUSFCSA-N 1 2 348.491 3.524 20 0 EHADLO CC[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CCO[C@H](CC)C3)c2C)CCO1 ZINC000664028097 1040874411 /nfs/dbraw/zinc/87/44/11/1040874411.db2.gz LWJIWGPGWUCFKW-YYIAUSFCSA-N 1 2 348.491 3.524 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000192722432 1040891869 /nfs/dbraw/zinc/89/18/69/1040891869.db2.gz ZUMCYBDHTDOXCD-UHFFFAOYSA-N 1 2 342.443 3.684 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCCC1 ZINC000909280813 1040921102 /nfs/dbraw/zinc/92/11/02/1040921102.db2.gz RYVLOCZBPGFRHL-LJQANCHMSA-N 1 2 340.471 3.694 20 0 EHADLO COc1ccc(F)c(CNC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000555643881 1040947890 /nfs/dbraw/zinc/94/78/90/1040947890.db2.gz LIHAEDMZKPPWJC-IBGZPJMESA-N 1 2 348.487 3.949 20 0 EHADLO Cc1[nH+]c2cc(OCC(=O)N[C@H](c3ccccc3)C3CC3)ccc2n1C ZINC000664053325 1041004679 /nfs/dbraw/zinc/00/46/79/1041004679.db2.gz QEGUNCCREMERAE-OAQYLSRUSA-N 1 2 349.434 3.528 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511517 1041007122 /nfs/dbraw/zinc/00/71/22/1041007122.db2.gz XYQQYHPYVPTXQM-SIIHOXLZSA-N 1 2 335.517 3.996 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511517 1041007137 /nfs/dbraw/zinc/00/71/37/1041007137.db2.gz XYQQYHPYVPTXQM-SIIHOXLZSA-N 1 2 335.517 3.996 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](COC(F)F)C2)c(Cl)c1 ZINC000512824450 1041037530 /nfs/dbraw/zinc/03/75/30/1041037530.db2.gz SHSLZOLACQITEV-VXGBXAGGSA-N 1 2 346.805 3.537 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](COC(F)F)C2)c(Cl)c1 ZINC000512824450 1041037547 /nfs/dbraw/zinc/03/75/47/1041037547.db2.gz SHSLZOLACQITEV-VXGBXAGGSA-N 1 2 346.805 3.537 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487715896 1041080997 /nfs/dbraw/zinc/08/09/97/1041080997.db2.gz DPTRZBDCYOLCBQ-MOPGFXCFSA-N 1 2 340.471 3.641 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000600372681 1041100788 /nfs/dbraw/zinc/10/07/88/1041100788.db2.gz NBWCKOALCOZBPR-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844498 1041102201 /nfs/dbraw/zinc/10/22/01/1041102201.db2.gz NFUMCBWCAYVBDL-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844498 1041102216 /nfs/dbraw/zinc/10/22/16/1041102216.db2.gz NFUMCBWCAYVBDL-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844492 1041102961 /nfs/dbraw/zinc/10/29/61/1041102961.db2.gz NFUMCBWCAYVBDL-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844492 1041102968 /nfs/dbraw/zinc/10/29/68/1041102968.db2.gz NFUMCBWCAYVBDL-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)CC(=O)Nc2ccc(C)cc2C)c1 ZINC000652068855 1041104423 /nfs/dbraw/zinc/10/44/23/1041104423.db2.gz QPZYCTKLOQKHAU-HNNXBMFYSA-N 1 2 327.428 3.674 20 0 EHADLO CC(C)C[C@@H](C[N@@H+]1CCn2c(nnc2C(F)F)C1)c1ccccc1 ZINC000668799032 1041123346 /nfs/dbraw/zinc/12/33/46/1041123346.db2.gz OXFCXQQJTNPEBB-HNNXBMFYSA-N 1 2 334.414 3.861 20 0 EHADLO CC(C)C[C@@H](C[N@H+]1CCn2c(nnc2C(F)F)C1)c1ccccc1 ZINC000668799032 1041123357 /nfs/dbraw/zinc/12/33/57/1041123357.db2.gz OXFCXQQJTNPEBB-HNNXBMFYSA-N 1 2 334.414 3.861 20 0 EHADLO CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](CC)c1ccccc1 ZINC000570931296 1041137127 /nfs/dbraw/zinc/13/71/27/1041137127.db2.gz KOADIIFNMVMSLU-HKUYNNGSSA-N 1 2 325.456 3.835 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243561 1041145851 /nfs/dbraw/zinc/14/58/51/1041145851.db2.gz WGWCUPFKONVJJP-KRWDZBQOSA-N 1 2 334.822 3.740 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243561 1041145856 /nfs/dbraw/zinc/14/58/56/1041145856.db2.gz WGWCUPFKONVJJP-KRWDZBQOSA-N 1 2 334.822 3.740 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243563 1041146624 /nfs/dbraw/zinc/14/66/24/1041146624.db2.gz WGWCUPFKONVJJP-QGZVFWFLSA-N 1 2 334.822 3.740 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243563 1041146638 /nfs/dbraw/zinc/14/66/38/1041146638.db2.gz WGWCUPFKONVJJP-QGZVFWFLSA-N 1 2 334.822 3.740 20 0 EHADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255164 1041163351 /nfs/dbraw/zinc/16/33/51/1041163351.db2.gz FIUFXODAONOCMZ-STQMWFEESA-N 1 2 326.843 3.700 20 0 EHADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255164 1041163358 /nfs/dbraw/zinc/16/33/58/1041163358.db2.gz FIUFXODAONOCMZ-STQMWFEESA-N 1 2 326.843 3.700 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000433277697 1041186470 /nfs/dbraw/zinc/18/64/70/1041186470.db2.gz AQVSIALVNFOEJV-UHFFFAOYSA-N 1 2 346.519 3.618 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000419305176 1041186741 /nfs/dbraw/zinc/18/67/41/1041186741.db2.gz QVIBUXGGCNCNON-CEXWTWQISA-N 1 2 349.434 3.983 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)sc1C ZINC000487971420 1041218234 /nfs/dbraw/zinc/21/82/34/1041218234.db2.gz NOCQEMWGGPTLMH-UHFFFAOYSA-N 1 2 335.448 3.532 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)sc1C ZINC000487971420 1041218252 /nfs/dbraw/zinc/21/82/52/1041218252.db2.gz NOCQEMWGGPTLMH-UHFFFAOYSA-N 1 2 335.448 3.532 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000669188414 1041227296 /nfs/dbraw/zinc/22/72/96/1041227296.db2.gz WAYOKWQJLJYAEM-OXJNMPFZSA-N 1 2 345.446 3.905 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419310921 1041236174 /nfs/dbraw/zinc/23/61/74/1041236174.db2.gz XTPHWQOFHJVAQM-UHFFFAOYSA-N 1 2 337.847 3.660 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C(C)(C)C)cn1 ZINC000433311800 1041253584 /nfs/dbraw/zinc/25/35/84/1041253584.db2.gz NSJXLOALMQPBHL-GFCCVEGCSA-N 1 2 332.395 3.772 20 0 EHADLO COc1cccc(C2(c3noc(C[C@@H](C)n4cc[nH+]c4)n3)CCC2)c1 ZINC000571289094 1041256570 /nfs/dbraw/zinc/25/65/70/1041256570.db2.gz QACLQVNZIKQOTP-CQSZACIVSA-N 1 2 338.411 3.548 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1F)c1ccco1 ZINC000571288215 1041257387 /nfs/dbraw/zinc/25/73/87/1041257387.db2.gz SQZBKJYXGVYYSJ-GFCCVEGCSA-N 1 2 346.171 3.534 20 0 EHADLO C/C=C/C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000395077239 1041284515 /nfs/dbraw/zinc/28/45/15/1041284515.db2.gz RIFDPDDCGVOJNB-NSCUHMNNSA-N 1 2 335.039 3.583 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162732384 1041287856 /nfs/dbraw/zinc/28/78/56/1041287856.db2.gz XDDQFJSXZACBDK-KRWDZBQOSA-N 1 2 346.434 3.500 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162732384 1041287867 /nfs/dbraw/zinc/28/78/67/1041287867.db2.gz XDDQFJSXZACBDK-KRWDZBQOSA-N 1 2 346.434 3.500 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1(c2ccccc2)CCCC1 ZINC000512951951 1041294079 /nfs/dbraw/zinc/29/40/79/1041294079.db2.gz YSPAVZRLYYKDGY-IEBWSBKVSA-N 1 2 349.478 3.740 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc3c(c2)OCCCO3)s1 ZINC000433335211 1041300706 /nfs/dbraw/zinc/30/07/06/1041300706.db2.gz KPBJSGLVQFRURN-UHFFFAOYSA-N 1 2 344.358 3.613 20 0 EHADLO CCCCC[N@H+](Cc1oncc1C(=O)OC)Cc1ccc(F)cc1 ZINC000509856016 1041332967 /nfs/dbraw/zinc/33/29/67/1041332967.db2.gz USNWMVAAWNQWHB-UHFFFAOYSA-N 1 2 334.391 3.793 20 0 EHADLO CCCCC[N@@H+](Cc1oncc1C(=O)OC)Cc1ccc(F)cc1 ZINC000509856016 1041332976 /nfs/dbraw/zinc/33/29/76/1041332976.db2.gz USNWMVAAWNQWHB-UHFFFAOYSA-N 1 2 334.391 3.793 20 0 EHADLO Cc1c[nH+]c(CCNc2nc(C3CC3)ncc2Br)c(C)c1 ZINC000664073833 1041362074 /nfs/dbraw/zinc/36/20/74/1041362074.db2.gz MBJMWBWRNZTGLD-UHFFFAOYSA-N 1 2 347.260 3.783 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3CCCc4ccc(F)cc43)ccc2[nH+]1 ZINC000432065492 1041495614 /nfs/dbraw/zinc/49/56/14/1041495614.db2.gz WRFVLBVSAWKGIS-KRWDZBQOSA-N 1 2 338.386 3.981 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590732692 1041573700 /nfs/dbraw/zinc/57/37/00/1041573700.db2.gz ODXDROIPSNSBOC-QGZVFWFLSA-N 1 2 327.428 3.539 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000432092654 1041582426 /nfs/dbraw/zinc/58/24/26/1041582426.db2.gz QAFCVOPXMLYKJI-NVXWUHKLSA-N 1 2 343.471 3.510 20 0 EHADLO Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116953 1041612293 /nfs/dbraw/zinc/61/22/93/1041612293.db2.gz NVKGJKCWDCAZRD-OAHLLOKOSA-N 1 2 336.439 3.659 20 0 EHADLO Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116953 1041612301 /nfs/dbraw/zinc/61/23/01/1041612301.db2.gz NVKGJKCWDCAZRD-OAHLLOKOSA-N 1 2 336.439 3.659 20 0 EHADLO Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116953 1041612310 /nfs/dbraw/zinc/61/23/10/1041612310.db2.gz NVKGJKCWDCAZRD-OAHLLOKOSA-N 1 2 336.439 3.659 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC12CCC(CC1)CC2 ZINC000652110282 1041620036 /nfs/dbraw/zinc/62/00/36/1041620036.db2.gz YYAUORRMQCRZGW-UHFFFAOYSA-N 1 2 348.516 3.973 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000647692827 1041672544 /nfs/dbraw/zinc/67/25/44/1041672544.db2.gz WZZSFTLEYSYLJT-SJORKVTESA-N 1 2 349.544 3.824 20 0 EHADLO Cc1ccc(OCCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000047514874 1041688736 /nfs/dbraw/zinc/68/87/36/1041688736.db2.gz MCOOVOTYJSDEPP-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2ncc(Br)cc2Cl)cn1 ZINC000660741786 1041795428 /nfs/dbraw/zinc/79/54/28/1041795428.db2.gz SGKZDKCJAAHAOL-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3cc4cnccc4o3)CC2)s1 ZINC000651631619 1041814940 /nfs/dbraw/zinc/81/49/40/1041814940.db2.gz VLHCMUJCHKDPMO-UHFFFAOYSA-N 1 2 341.480 3.770 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc2c1CCC2)c1cccc(F)c1 ZINC000651663700 1041863015 /nfs/dbraw/zinc/86/30/15/1041863015.db2.gz SDEQQOQEMHYNEZ-HXUWFJFHSA-N 1 2 335.426 3.927 20 0 EHADLO C[C@H](CC(=O)N[C@H](COc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001126013756 1041888763 /nfs/dbraw/zinc/88/87/63/1041888763.db2.gz ZVZSKPRDPVIVHK-YLJYHZDGSA-N 1 2 349.434 3.771 20 0 EHADLO COC[C@@H](CC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000651673828 1041890511 /nfs/dbraw/zinc/89/05/11/1041890511.db2.gz YKIGIUOBJJQCSK-PBHICJAKSA-N 1 2 333.451 3.689 20 0 EHADLO COC[C@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000651673830 1041891178 /nfs/dbraw/zinc/89/11/78/1041891178.db2.gz YKIGIUOBJJQCSK-WMLDXEAASA-N 1 2 333.451 3.689 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(Cl)c2)CCC1 ZINC000075552281 1041937490 /nfs/dbraw/zinc/93/74/90/1041937490.db2.gz AYGZJNYDDHLRSL-CQSZACIVSA-N 1 2 343.858 3.891 20 0 EHADLO C[N@@H+]1CCc2ncnc(NC3c4ccccc4-c4ccccc43)c2C1 ZINC001167776352 1041989672 /nfs/dbraw/zinc/98/96/72/1041989672.db2.gz KBGQSKXYSRAHBD-UHFFFAOYSA-N 1 2 328.419 3.646 20 0 EHADLO C[N@H+]1CCc2ncnc(NC3c4ccccc4-c4ccccc43)c2C1 ZINC001167776352 1041989674 /nfs/dbraw/zinc/98/96/74/1041989674.db2.gz KBGQSKXYSRAHBD-UHFFFAOYSA-N 1 2 328.419 3.646 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661418063 1042110436 /nfs/dbraw/zinc/11/04/36/1042110436.db2.gz FBRSOQHJKWNNBU-NWDGAFQWSA-N 1 2 337.876 3.667 20 0 EHADLO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccc2c(c1)CCCC2 ZINC000661419614 1042112655 /nfs/dbraw/zinc/11/26/55/1042112655.db2.gz FRAYVIDFAICBSX-KBPBESRZSA-N 1 2 343.496 3.550 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511895 1042164931 /nfs/dbraw/zinc/16/49/31/1042164931.db2.gz NFEHEIXRAJYFGY-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511895 1042164933 /nfs/dbraw/zinc/16/49/33/1042164933.db2.gz NFEHEIXRAJYFGY-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO CC(C)(C)OCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661540960 1042176708 /nfs/dbraw/zinc/17/67/08/1042176708.db2.gz MHHMGERFLIQMLH-LBPRGKRZSA-N 1 2 331.382 3.838 20 0 EHADLO CC(C)(C)OCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661540960 1042176715 /nfs/dbraw/zinc/17/67/15/1042176715.db2.gz MHHMGERFLIQMLH-LBPRGKRZSA-N 1 2 331.382 3.838 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890566 1042210624 /nfs/dbraw/zinc/21/06/24/1042210624.db2.gz SERAEYVVGZQJDY-QGZVFWFLSA-N 1 2 348.450 3.693 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+](C)C[C@@H]3COCCO3)cs2)cc1 ZINC000661604088 1042214052 /nfs/dbraw/zinc/21/40/52/1042214052.db2.gz NHPBGUZJLZNOJM-GOSISDBHSA-N 1 2 346.496 3.781 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+](C)C[C@@H]3COCCO3)cs2)cc1 ZINC000661604088 1042214055 /nfs/dbraw/zinc/21/40/55/1042214055.db2.gz NHPBGUZJLZNOJM-GOSISDBHSA-N 1 2 346.496 3.781 20 0 EHADLO COCc1cnc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)s1 ZINC000651949577 1042233444 /nfs/dbraw/zinc/23/34/44/1042233444.db2.gz OQRVTPBGUPWWNU-CQSZACIVSA-N 1 2 336.432 3.821 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661732282 1042289367 /nfs/dbraw/zinc/28/93/67/1042289367.db2.gz MDCWLWXYZJXDKE-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661732282 1042289370 /nfs/dbraw/zinc/28/93/70/1042289370.db2.gz MDCWLWXYZJXDKE-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000661739056 1042290228 /nfs/dbraw/zinc/29/02/28/1042290228.db2.gz XHRKFFFDUIOQCM-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000661739056 1042290231 /nfs/dbraw/zinc/29/02/31/1042290231.db2.gz XHRKFFFDUIOQCM-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000893498916 1042290510 /nfs/dbraw/zinc/29/05/10/1042290510.db2.gz PKSLRGQVYBBGDJ-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000893498916 1042290514 /nfs/dbraw/zinc/29/05/14/1042290514.db2.gz PKSLRGQVYBBGDJ-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000661736252 1042292448 /nfs/dbraw/zinc/29/24/48/1042292448.db2.gz NSONLWSPPIWUFT-ZWKOTPCHSA-N 1 2 337.435 3.521 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCO[C@@H]1CCCCO1 ZINC000661736252 1042292459 /nfs/dbraw/zinc/29/24/59/1042292459.db2.gz NSONLWSPPIWUFT-ZWKOTPCHSA-N 1 2 337.435 3.521 20 0 EHADLO Cc1cc([C@@H]([NH2+]CC(=O)N2CCC2)c2ccccc2Cl)ccc1F ZINC000487361909 1042310422 /nfs/dbraw/zinc/31/04/22/1042310422.db2.gz GDUYWGMXLDQAOX-LJQANCHMSA-N 1 2 346.833 3.699 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000661794924 1042332419 /nfs/dbraw/zinc/33/24/19/1042332419.db2.gz XOLQKRKPXXMSGV-UHFFFAOYSA-N 1 2 347.455 3.641 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000661794924 1042332426 /nfs/dbraw/zinc/33/24/26/1042332426.db2.gz XOLQKRKPXXMSGV-UHFFFAOYSA-N 1 2 347.455 3.641 20 0 EHADLO COc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc(C(F)(F)F)c1 ZINC001143518978 1042391410 /nfs/dbraw/zinc/39/14/10/1042391410.db2.gz DMUFAURTCGEJGN-GFCCVEGCSA-N 1 2 335.366 3.743 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)[nH]c2scc(-c3ccccc3)c21 ZINC000661976844 1042438475 /nfs/dbraw/zinc/43/84/75/1042438475.db2.gz VLKZJJLNAKLXGF-KBPBESRZSA-N 1 2 337.448 3.906 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)[nH]c2scc(-c3ccccc3)c21 ZINC000661976844 1042438476 /nfs/dbraw/zinc/43/84/76/1042438476.db2.gz VLKZJJLNAKLXGF-KBPBESRZSA-N 1 2 337.448 3.906 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000473162119 1042473128 /nfs/dbraw/zinc/47/31/28/1042473128.db2.gz OSVCMWNGYUFMFT-UHFFFAOYSA-N 1 2 337.471 3.910 20 0 EHADLO C[C@H](CC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000026214596 1042494488 /nfs/dbraw/zinc/49/44/88/1042494488.db2.gz PFDFBCKVKMBHLV-GOSISDBHSA-N 1 2 347.462 3.784 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662244792 1042631952 /nfs/dbraw/zinc/63/19/52/1042631952.db2.gz VJAJHKDCHAZGPZ-KGLIPLIRSA-N 1 2 347.377 3.506 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662244792 1042631955 /nfs/dbraw/zinc/63/19/55/1042631955.db2.gz VJAJHKDCHAZGPZ-KGLIPLIRSA-N 1 2 347.377 3.506 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccccc2C)cs1)C1CC1 ZINC000115610043 1042639204 /nfs/dbraw/zinc/63/92/04/1042639204.db2.gz GZXQMEVRNBJVGE-CYBMUJFWSA-N 1 2 329.469 3.818 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C12CCCCC2 ZINC000893558722 1042640804 /nfs/dbraw/zinc/64/08/04/1042640804.db2.gz DAPHNNSIPKKDPZ-KSZLIROESA-N 1 2 340.471 3.612 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC3CC2(c2ccccc2)C3)sc1C ZINC000662333747 1042686226 /nfs/dbraw/zinc/68/62/26/1042686226.db2.gz LYHDZRIKHJCOJE-UHFFFAOYSA-N 1 2 341.480 3.574 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC3CC2(c2ccccc2)C3)sc1C ZINC000662333747 1042686230 /nfs/dbraw/zinc/68/62/30/1042686230.db2.gz LYHDZRIKHJCOJE-UHFFFAOYSA-N 1 2 341.480 3.574 20 0 EHADLO COc1c(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c(C)nn1C ZINC000162359954 1042722787 /nfs/dbraw/zinc/72/27/87/1042722787.db2.gz NPVPLDHNONNXRE-SECBINFHSA-N 1 2 328.243 3.895 20 0 EHADLO COc1c(F)cccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001143524278 1042746319 /nfs/dbraw/zinc/74/63/19/1042746319.db2.gz OTBLRWTUKDPVAC-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000221959605 1042750407 /nfs/dbraw/zinc/75/04/07/1042750407.db2.gz YWDPVNSJKSOCMF-SNAWJCMRSA-N 1 2 340.854 3.811 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)NCCNc1cccc[nH+]1 ZINC001625907857 1042756201 /nfs/dbraw/zinc/75/62/01/1042756201.db2.gz UXTJEFWOTZAZOQ-UHFFFAOYSA-N 1 2 342.443 3.740 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043277680 1042786983 /nfs/dbraw/zinc/78/69/83/1042786983.db2.gz KISGRVKGCOANQF-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2CC)cc1OCCC ZINC000278872133 1042788321 /nfs/dbraw/zinc/78/83/21/1042788321.db2.gz OGIPSPBGACOKCL-HNNXBMFYSA-N 1 2 346.475 3.726 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901131 1042846028 /nfs/dbraw/zinc/84/60/28/1042846028.db2.gz FAYQODBWPISPSH-SUMWQHHRSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901131 1042846034 /nfs/dbraw/zinc/84/60/34/1042846034.db2.gz FAYQODBWPISPSH-SUMWQHHRSA-N 1 2 338.386 3.854 20 0 EHADLO Clc1ncccc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278908853 1042910413 /nfs/dbraw/zinc/91/04/13/1042910413.db2.gz QHGAXHWPSUQKJW-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000408275251 1042927307 /nfs/dbraw/zinc/92/73/07/1042927307.db2.gz WUKFJSRDURCAMF-GXTWGEPZSA-N 1 2 346.500 3.669 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028175428 1042961968 /nfs/dbraw/zinc/96/19/68/1042961968.db2.gz DBQFBPRYOYMEEG-HUUCEWRRSA-N 1 2 328.481 3.681 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000028175428 1042961974 /nfs/dbraw/zinc/96/19/74/1042961974.db2.gz DBQFBPRYOYMEEG-HUUCEWRRSA-N 1 2 328.481 3.681 20 0 EHADLO O=C(c1cc(F)cc(F)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278936924 1043009056 /nfs/dbraw/zinc/00/90/56/1043009056.db2.gz KMJHJDDVXACMHE-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO O=C(CCc1ccsc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279011106 1043189223 /nfs/dbraw/zinc/18/92/23/1043189223.db2.gz UJTYMHPVZJNJIK-UHFFFAOYSA-N 1 2 343.496 3.620 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccccc2N(C)C)c1C ZINC000344121253 1043292598 /nfs/dbraw/zinc/29/25/98/1043292598.db2.gz STBQAALCVFLXBQ-UHFFFAOYSA-N 1 2 327.472 3.506 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c1C ZINC000344121253 1043292610 /nfs/dbraw/zinc/29/26/10/1043292610.db2.gz STBQAALCVFLXBQ-UHFFFAOYSA-N 1 2 327.472 3.506 20 0 EHADLO O=C(CCCOCc1ccccc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000050331866 1043381416 /nfs/dbraw/zinc/38/14/16/1043381416.db2.gz QMGQLOAQYNOGHZ-UHFFFAOYSA-N 1 2 335.407 3.808 20 0 EHADLO CCc1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135974 1043418350 /nfs/dbraw/zinc/41/83/50/1043418350.db2.gz NHHXFAPOLYFLQJ-WMLDXEAASA-N 1 2 329.444 3.890 20 0 EHADLO CCc1nnc([C@H]2C[N@H+]([C@@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135974 1043418358 /nfs/dbraw/zinc/41/83/58/1043418358.db2.gz NHHXFAPOLYFLQJ-WMLDXEAASA-N 1 2 329.444 3.890 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000279163090 1043482259 /nfs/dbraw/zinc/48/22/59/1043482259.db2.gz CAEHVFWCCWHISG-IBGZPJMESA-N 1 2 347.455 3.578 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000279163090 1043482264 /nfs/dbraw/zinc/48/22/64/1043482264.db2.gz CAEHVFWCCWHISG-IBGZPJMESA-N 1 2 347.455 3.578 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000279179667 1043509598 /nfs/dbraw/zinc/50/95/98/1043509598.db2.gz LWDDOAFEYOWJEC-SYQHCUMBSA-N 1 2 349.887 3.811 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC2(CCCC2)CC1 ZINC000663685181 1043568577 /nfs/dbraw/zinc/56/85/77/1043568577.db2.gz ALJZXBRUDHSIQQ-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO O=C1[C@H]([N@@H+]2CCCc3occc3C2)CCCN1c1ccccc1Cl ZINC000344294320 1043608348 /nfs/dbraw/zinc/60/83/48/1043608348.db2.gz UGCQUKWFMCESAA-QGZVFWFLSA-N 1 2 344.842 3.877 20 0 EHADLO O=C1[C@H]([N@H+]2CCCc3occc3C2)CCCN1c1ccccc1Cl ZINC000344294320 1043608352 /nfs/dbraw/zinc/60/83/52/1043608352.db2.gz UGCQUKWFMCESAA-QGZVFWFLSA-N 1 2 344.842 3.877 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000344347195 1043705982 /nfs/dbraw/zinc/70/59/82/1043705982.db2.gz IXKBVAQFLUFVKB-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000344356567 1043719378 /nfs/dbraw/zinc/71/93/78/1043719378.db2.gz WMXXJOMEDBIGOU-UHFFFAOYSA-N 1 2 349.409 3.859 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001143530418 1043722486 /nfs/dbraw/zinc/72/24/86/1043722486.db2.gz VHKBXUXDKMYVHM-LJQANCHMSA-N 1 2 333.378 3.721 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001143530418 1043722498 /nfs/dbraw/zinc/72/24/98/1043722498.db2.gz VHKBXUXDKMYVHM-LJQANCHMSA-N 1 2 333.378 3.721 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCCSCc1cccc2ccccc21 ZINC000279297101 1043744898 /nfs/dbraw/zinc/74/48/98/1043744898.db2.gz YWTIOGOXLMXJFB-UHFFFAOYSA-N 1 2 339.464 3.545 20 0 EHADLO O=C(NC1CC1)c1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000631283100 1043781967 /nfs/dbraw/zinc/78/19/67/1043781967.db2.gz HVTVIAXSPINSGH-SFHVURJKSA-N 1 2 330.378 3.518 20 0 EHADLO O=C(CCSCc1ccccn1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162826127 1043792537 /nfs/dbraw/zinc/79/25/37/1043792537.db2.gz NDUIVURLACJFIC-UHFFFAOYSA-N 1 2 338.436 3.734 20 0 EHADLO CC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744403 1043911195 /nfs/dbraw/zinc/91/11/95/1043911195.db2.gz DVDJVCLXDNQAHO-WMZOPIPTSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744403 1043911201 /nfs/dbraw/zinc/91/12/01/1043911201.db2.gz DVDJVCLXDNQAHO-WMZOPIPTSA-N 1 2 347.821 3.934 20 0 EHADLO CC[C@H](c1nnc(S[C@@H](C)[C@@H](C)O)n1C1CCCCC1)[NH+](C)C ZINC000446804605 1043995144 /nfs/dbraw/zinc/99/51/44/1043995144.db2.gz UVJJPYWFPMQORF-VNHYZAJKSA-N 1 2 340.537 3.657 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000279402514 1044053837 /nfs/dbraw/zinc/05/38/37/1044053837.db2.gz IAVTXXHHGZHDOE-KRWDZBQOSA-N 1 2 343.471 3.714 20 0 EHADLO Cc1nc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663757953 1044110990 /nfs/dbraw/zinc/11/09/90/1044110990.db2.gz XEOJDDMJNMEXEK-RYUDHWBXSA-N 1 2 342.281 3.862 20 0 EHADLO O=C(N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000247663742 1044127982 /nfs/dbraw/zinc/12/79/82/1044127982.db2.gz YHYURIDAGVBODY-BHIYHBOVSA-N 1 2 336.439 3.520 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc(F)cc(F)c3)n2)c1 ZINC000279519031 1044160944 /nfs/dbraw/zinc/16/09/44/1044160944.db2.gz ODKGPDCFZLSNSB-NWDGAFQWSA-N 1 2 343.381 3.865 20 0 EHADLO CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000279551191 1044222297 /nfs/dbraw/zinc/22/22/97/1044222297.db2.gz ANJXVKRVNSVXHG-DZGCQCFKSA-N 1 2 331.391 3.545 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1ccnn1C(C)C)C[C@@H]1CCCO1 ZINC000279704717 1044433959 /nfs/dbraw/zinc/43/39/59/1044433959.db2.gz SFDCWLSQNHLBGO-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1ccnn1C(C)C)C[C@@H]1CCCO1 ZINC000279704717 1044433968 /nfs/dbraw/zinc/43/39/68/1044433968.db2.gz SFDCWLSQNHLBGO-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO CC(C)n1ncnc1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000310981137 1044515086 /nfs/dbraw/zinc/51/50/86/1044515086.db2.gz FYGUFGWUABFHPP-UHFFFAOYSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000344867280 1044557695 /nfs/dbraw/zinc/55/76/95/1044557695.db2.gz DPIJSASQYQRQCH-QGZVFWFLSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc[nH+]1 ZINC000112298291 1044598365 /nfs/dbraw/zinc/59/83/65/1044598365.db2.gz HREDCTZFXSYJPP-UHFFFAOYSA-N 1 2 339.420 3.917 20 0 EHADLO Fc1ccc(-n2nccc2C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000279774161 1044630718 /nfs/dbraw/zinc/63/07/18/1044630718.db2.gz ALEFDHFWMJBGSG-UHFFFAOYSA-N 1 2 328.416 3.635 20 0 EHADLO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccncc1F ZINC000337953012 1044647706 /nfs/dbraw/zinc/64/77/06/1044647706.db2.gz WFDNQTHZALUCFY-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(C)c3c[nH]nc32)c1 ZINC000344959199 1044738537 /nfs/dbraw/zinc/73/85/37/1044738537.db2.gz XFZIRTPOYFJGQF-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279839226 1044741138 /nfs/dbraw/zinc/74/11/38/1044741138.db2.gz RKYAHBZLFRZABN-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279839226 1044741117 /nfs/dbraw/zinc/74/11/17/1044741117.db2.gz RKYAHBZLFRZABN-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H](c1nnc(SCC(F)F)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000112770550 1044771415 /nfs/dbraw/zinc/77/14/15/1044771415.db2.gz LHCRQGBDUDVOGO-SECBINFHSA-N 1 2 346.834 3.901 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000345014375 1044818433 /nfs/dbraw/zinc/81/84/33/1044818433.db2.gz DGNXQEAACIHULL-AWEZNQCLSA-N 1 2 333.359 3.597 20 0 EHADLO CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000620221754 1125517399 /nfs/dbraw/zinc/51/73/99/1125517399.db2.gz WEZMAXFGUXUUOC-UHFFFAOYSA-N 1 2 349.434 3.980 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)c1 ZINC000183474448 1125577128 /nfs/dbraw/zinc/57/71/28/1125577128.db2.gz LPZRHTTVRUPNPY-OAHLLOKOSA-N 1 2 343.858 3.780 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)c1 ZINC000183474448 1125577136 /nfs/dbraw/zinc/57/71/36/1125577136.db2.gz LPZRHTTVRUPNPY-OAHLLOKOSA-N 1 2 343.858 3.780 20 0 EHADLO C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000620503038 1125584151 /nfs/dbraw/zinc/58/41/51/1125584151.db2.gz WDBCHRCTTXJCRU-LJQANCHMSA-N 1 2 347.462 3.933 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000154333430 1125711960 /nfs/dbraw/zinc/71/19/60/1125711960.db2.gz SBNFUYFCCJAPMW-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000154333430 1125711966 /nfs/dbraw/zinc/71/19/66/1125711966.db2.gz SBNFUYFCCJAPMW-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO O=C(Nc1cccc2ccc(O)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000154882890 1125763055 /nfs/dbraw/zinc/76/30/55/1125763055.db2.gz RYXMJGXGLSTJDW-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155061819 1125781617 /nfs/dbraw/zinc/78/16/17/1125781617.db2.gz NNMXHZYDBKVJCS-QGZVFWFLSA-N 1 2 331.485 3.549 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1Cc1ccccc1 ZINC000155140727 1125788989 /nfs/dbraw/zinc/78/89/89/1125788989.db2.gz QBYBCMNJJDFPME-UHFFFAOYSA-N 1 2 333.435 3.636 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000072514045 1126747348 /nfs/dbraw/zinc/74/73/48/1126747348.db2.gz CKCWYTQBNALKSC-XJKSGUPXSA-N 1 2 347.484 3.537 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000072514045 1126747353 /nfs/dbraw/zinc/74/73/53/1126747353.db2.gz CKCWYTQBNALKSC-XJKSGUPXSA-N 1 2 347.484 3.537 20 0 EHADLO CCCc1nc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836895 1126794475 /nfs/dbraw/zinc/79/44/75/1126794475.db2.gz UJEKBMMWZJKFJG-APWZRJJASA-N 1 2 329.444 3.622 20 0 EHADLO CCCc1nc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836895 1126794479 /nfs/dbraw/zinc/79/44/79/1126794479.db2.gz UJEKBMMWZJKFJG-APWZRJJASA-N 1 2 329.444 3.622 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000172909521 1126820701 /nfs/dbraw/zinc/82/07/01/1126820701.db2.gz YRNBKDVAMRQVCW-CYBMUJFWSA-N 1 2 346.377 3.673 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000172909521 1126820703 /nfs/dbraw/zinc/82/07/03/1126820703.db2.gz YRNBKDVAMRQVCW-CYBMUJFWSA-N 1 2 346.377 3.673 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000623120856 1126880409 /nfs/dbraw/zinc/88/04/09/1126880409.db2.gz KIHIPAZBSQQVJZ-ZDUSSCGKSA-N 1 2 328.378 3.629 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000623120856 1126880412 /nfs/dbraw/zinc/88/04/12/1126880412.db2.gz KIHIPAZBSQQVJZ-ZDUSSCGKSA-N 1 2 328.378 3.629 20 0 EHADLO Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CCCn1cc[nH+]c1 ZINC000623254413 1126902972 /nfs/dbraw/zinc/90/29/72/1126902972.db2.gz UBBMSVCMELWJMR-UHFFFAOYSA-N 1 2 341.386 3.937 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000671308390 1126907775 /nfs/dbraw/zinc/90/77/75/1126907775.db2.gz SKKPGQXFCWQONV-UHFFFAOYSA-N 1 2 333.325 3.583 20 0 EHADLO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC000623275573 1126908718 /nfs/dbraw/zinc/90/87/18/1126908718.db2.gz PAUSSQYXVPOEKA-INIZCTEOSA-N 1 2 343.471 3.545 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000623302738 1126911481 /nfs/dbraw/zinc/91/14/81/1126911481.db2.gz NZKVGOMDMPZRJT-YRNRMSPPSA-N 1 2 337.467 3.631 20 0 EHADLO COc1ccc2nc(C[NH2+][C@H](c3ccccc3F)[C@H](C)O)sc2c1 ZINC000580558604 1126920494 /nfs/dbraw/zinc/92/04/94/1126920494.db2.gz GJQRXVRWPBZICG-VOJFVSQTSA-N 1 2 346.427 3.656 20 0 EHADLO Cc1nc2sn(C[N@H+](C3CC3)C3CCCC3)c(=O)c2c(C)c1C ZINC000072915413 1126925655 /nfs/dbraw/zinc/92/56/55/1126925655.db2.gz ZXSCFVXSUVQNOD-UHFFFAOYSA-N 1 2 331.485 3.748 20 0 EHADLO Cc1nc2sn(C[N@@H+](C3CC3)C3CCCC3)c(=O)c2c(C)c1C ZINC000072915413 1126925656 /nfs/dbraw/zinc/92/56/56/1126925656.db2.gz ZXSCFVXSUVQNOD-UHFFFAOYSA-N 1 2 331.485 3.748 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C(N)=O)c3ccccc3)oc21 ZINC000192794298 1126937716 /nfs/dbraw/zinc/93/77/16/1126937716.db2.gz FDZHIFHZMHIKGB-UGSOOPFHSA-N 1 2 338.407 3.709 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2cc(C)c(Br)cn2)n1 ZINC000623398381 1126944578 /nfs/dbraw/zinc/94/45/78/1126944578.db2.gz DFFPMZGGCSRPEY-SNVBAGLBSA-N 1 2 326.263 3.768 20 0 EHADLO C[C@@H](CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000623411074 1126947302 /nfs/dbraw/zinc/94/73/02/1126947302.db2.gz RTYJYLGGKXEFQX-INIZCTEOSA-N 1 2 346.519 3.620 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185602817 1126955043 /nfs/dbraw/zinc/95/50/43/1126955043.db2.gz KAUBFEHPECNXAL-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185602817 1126955046 /nfs/dbraw/zinc/95/50/46/1126955046.db2.gz KAUBFEHPECNXAL-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cn1 ZINC000072981464 1126962461 /nfs/dbraw/zinc/96/24/61/1126962461.db2.gz PRSOMUZMOIQZNJ-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cn1 ZINC000072981464 1126962464 /nfs/dbraw/zinc/96/24/64/1126962464.db2.gz PRSOMUZMOIQZNJ-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000670271855 1126973886 /nfs/dbraw/zinc/97/38/86/1126973886.db2.gz VHNWPVJVKYXRCB-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000670271855 1126973890 /nfs/dbraw/zinc/97/38/90/1126973890.db2.gz VHNWPVJVKYXRCB-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623600447 1126994069 /nfs/dbraw/zinc/99/40/69/1126994069.db2.gz OCTHRPLANHBWKE-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000178460664 1127018485 /nfs/dbraw/zinc/01/84/85/1127018485.db2.gz SCHVDWYBODSZLJ-ZDUSSCGKSA-N 1 2 335.407 3.560 20 0 EHADLO c1cc2n(c1)CCN(Cc1cccc3[nH+]ccn31)[C@H]2c1ccccc1 ZINC000179717236 1127083269 /nfs/dbraw/zinc/08/32/69/1127083269.db2.gz XDVPQKUAJVSZOE-NRFANRHFSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3nccn31)[C@H]2c1ccccc1 ZINC000179717236 1127083273 /nfs/dbraw/zinc/08/32/73/1127083273.db2.gz XDVPQKUAJVSZOE-NRFANRHFSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3nccn31)[C@H]2c1ccccc1 ZINC000179717236 1127083276 /nfs/dbraw/zinc/08/32/76/1127083276.db2.gz XDVPQKUAJVSZOE-NRFANRHFSA-N 1 2 328.419 3.741 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179918073 1127100136 /nfs/dbraw/zinc/10/01/36/1127100136.db2.gz FJQBYVWZPVSATA-AWEZNQCLSA-N 1 2 343.496 3.729 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179918073 1127100140 /nfs/dbraw/zinc/10/01/40/1127100140.db2.gz FJQBYVWZPVSATA-AWEZNQCLSA-N 1 2 343.496 3.729 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(Cl)cc1F ZINC000180261642 1127137491 /nfs/dbraw/zinc/13/74/91/1127137491.db2.gz BJZZJOYZYFJLOU-SJORKVTESA-N 1 2 334.822 3.992 20 0 EHADLO Cn1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c(C(F)F)n1 ZINC000623844092 1127199620 /nfs/dbraw/zinc/19/96/20/1127199620.db2.gz FQVDHBYHQBULLX-UHFFFAOYSA-N 1 2 327.325 3.805 20 0 EHADLO Cc1csc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000623954319 1127221800 /nfs/dbraw/zinc/22/18/00/1127221800.db2.gz JMYUZQWZMKEQOS-MCIONIFRSA-N 1 2 332.473 3.633 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCc3scnc32)on1 ZINC000624017193 1127234178 /nfs/dbraw/zinc/23/41/78/1127234178.db2.gz SEKSNZUAAKFHDX-CQSZACIVSA-N 1 2 341.436 3.974 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2csc(C(F)(F)F)c2)c[nH+]1 ZINC000624178643 1127275652 /nfs/dbraw/zinc/27/56/52/1127275652.db2.gz WFOHEBNZWLAFCP-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO c1ccc(Cc2nnc(NCCCCNc3cccc[nH+]3)s2)cc1 ZINC000181875407 1127300908 /nfs/dbraw/zinc/30/09/08/1127300908.db2.gz VASRERPRLXCDKY-UHFFFAOYSA-N 1 2 339.468 3.828 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCCC(=O)OC(C)(C)C)o1 ZINC000181896258 1127301726 /nfs/dbraw/zinc/30/17/26/1127301726.db2.gz CRFGINMVXPSWFC-MRXNPFEDSA-N 1 2 337.460 3.727 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCCCC(=O)OC(C)(C)C)o1 ZINC000181896258 1127301730 /nfs/dbraw/zinc/30/17/30/1127301730.db2.gz CRFGINMVXPSWFC-MRXNPFEDSA-N 1 2 337.460 3.727 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000182051281 1127309820 /nfs/dbraw/zinc/30/98/20/1127309820.db2.gz FWEZGGINMOOQJZ-GUYCJALGSA-N 1 2 333.432 3.663 20 0 EHADLO Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182283867 1127321222 /nfs/dbraw/zinc/32/12/22/1127321222.db2.gz QPJDGTHDOGRHFJ-UHFFFAOYSA-N 1 2 335.411 3.516 20 0 EHADLO COc1ccc(C2(C(=O)Nc3cc[nH+]c(C)c3)CCCC2)cc1OC ZINC000182319708 1127323800 /nfs/dbraw/zinc/32/38/00/1127323800.db2.gz AZRMBIJAIBBVOF-UHFFFAOYSA-N 1 2 340.423 3.858 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000182347167 1127324969 /nfs/dbraw/zinc/32/49/69/1127324969.db2.gz INUCOQBOSTWNHL-CQSZACIVSA-N 1 2 341.386 3.947 20 0 EHADLO C[C@@H](c1ccccc1Br)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443824 1127333441 /nfs/dbraw/zinc/33/34/41/1127333441.db2.gz GLDHTLCFYCOHRU-NSHDSACASA-N 1 2 335.249 3.508 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1c(C)noc1C ZINC000182518325 1127334898 /nfs/dbraw/zinc/33/48/98/1127334898.db2.gz APXVNNLOOZTLQR-MRXNPFEDSA-N 1 2 346.381 3.996 20 0 EHADLO CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)[C@H]1c1ccncc1 ZINC000624243897 1127338618 /nfs/dbraw/zinc/33/86/18/1127338618.db2.gz CTQBGPLNMPBWQC-SFHVURJKSA-N 1 2 329.407 3.865 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H](c3ccncc3)C1)nc1ccccc12 ZINC000624252961 1127341495 /nfs/dbraw/zinc/34/14/95/1127341495.db2.gz PXYXEFVHKMFQLQ-MRXNPFEDSA-N 1 2 329.407 3.662 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182666937 1127342670 /nfs/dbraw/zinc/34/26/70/1127342670.db2.gz LEWTZDZUCWXXND-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000182666937 1127342672 /nfs/dbraw/zinc/34/26/72/1127342672.db2.gz LEWTZDZUCWXXND-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000182911336 1127353519 /nfs/dbraw/zinc/35/35/19/1127353519.db2.gz VXEVNSWQAFRWGQ-QGZVFWFLSA-N 1 2 328.412 3.772 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1nnc2n1CCCCC2 ZINC000363057357 1127365325 /nfs/dbraw/zinc/36/53/25/1127365325.db2.gz CHOIRSUTYZCRMF-GFCCVEGCSA-N 1 2 333.505 3.609 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000183065354 1127361450 /nfs/dbraw/zinc/36/14/50/1127361450.db2.gz YSKCFCINFGURKF-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000183576276 1127380844 /nfs/dbraw/zinc/38/08/44/1127380844.db2.gz MGHYFFWNBKMIGH-HNNXBMFYSA-N 1 2 339.443 3.695 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1C ZINC000184248307 1127399357 /nfs/dbraw/zinc/39/93/57/1127399357.db2.gz JBGXSLPGGMXBQI-FQEVSTJZSA-N 1 2 341.499 3.744 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1C ZINC000184248307 1127399352 /nfs/dbraw/zinc/39/93/52/1127399352.db2.gz JBGXSLPGGMXBQI-FQEVSTJZSA-N 1 2 341.499 3.744 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1nc(C(C)(C)C)cs1 ZINC000184480420 1127406040 /nfs/dbraw/zinc/40/60/40/1127406040.db2.gz IRRJPJOKQXGRED-LLVKDONJSA-N 1 2 335.448 3.869 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000184502828 1127407188 /nfs/dbraw/zinc/40/71/88/1127407188.db2.gz VHKXUYOKYWCYIH-ZDUSSCGKSA-N 1 2 343.496 3.681 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1)c1ccccc1 ZINC000184746113 1127412414 /nfs/dbraw/zinc/41/24/14/1127412414.db2.gz OFGVLACGOCOOCI-ROUUACIJSA-N 1 2 344.455 3.523 20 0 EHADLO Cc1csc(C2([NH2+]Cn3sc4ccccc4c3=O)CCCC2)n1 ZINC000764121762 1127447502 /nfs/dbraw/zinc/44/75/02/1127447502.db2.gz OEALVOGVQRGMNJ-UHFFFAOYSA-N 1 2 345.493 3.845 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000741778165 1127471764 /nfs/dbraw/zinc/47/17/64/1127471764.db2.gz VSHLQKXDJGUYSA-ZDUSSCGKSA-N 1 2 341.398 3.540 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)c(=O)c2ccccc12 ZINC000764953241 1127556511 /nfs/dbraw/zinc/55/65/11/1127556511.db2.gz DLSUCMZHNRFISV-MRXNPFEDSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)c(=O)c2ccccc12 ZINC000764953241 1127556513 /nfs/dbraw/zinc/55/65/13/1127556513.db2.gz DLSUCMZHNRFISV-MRXNPFEDSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1ccc(C[N@H+](C)Cn2ncc(Br)c2C2CC2)s1 ZINC000764971701 1127560492 /nfs/dbraw/zinc/56/04/92/1127560492.db2.gz JNTUYKBUSFWEOU-UHFFFAOYSA-N 1 2 340.290 3.982 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cn2ncc(Br)c2C2CC2)s1 ZINC000764971701 1127560495 /nfs/dbraw/zinc/56/04/95/1127560495.db2.gz JNTUYKBUSFWEOU-UHFFFAOYSA-N 1 2 340.290 3.982 20 0 EHADLO Cc1ccc(NC(=O)CCc2cncc3ccccc32)c(N(C)C)[nH+]1 ZINC000765087638 1127572045 /nfs/dbraw/zinc/57/20/45/1127572045.db2.gz DZCNOHNQYCHCHK-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1F ZINC000325439966 1127581789 /nfs/dbraw/zinc/58/17/89/1127581789.db2.gz FBCMTLHQFQHUHT-UHFFFAOYSA-N 1 2 349.793 3.710 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)o1 ZINC000765315777 1127596034 /nfs/dbraw/zinc/59/60/34/1127596034.db2.gz KMQVZYWRWCJTGY-HUUCEWRRSA-N 1 2 332.469 3.658 20 0 EHADLO O=C(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000011095123 1127635626 /nfs/dbraw/zinc/63/56/26/1127635626.db2.gz KEAHKXHSUQCHCS-UHFFFAOYSA-N 1 2 346.833 3.874 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000255863423 1127657417 /nfs/dbraw/zinc/65/74/17/1127657417.db2.gz TWNYTPZZVWNWBX-YVMONPNESA-N 1 2 335.382 3.731 20 0 EHADLO Fc1ccc(CN2CCC[N@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000022983226 1127692844 /nfs/dbraw/zinc/69/28/44/1127692844.db2.gz YEISNZSAZGFYGR-UHFFFAOYSA-N 1 2 339.414 3.675 20 0 EHADLO Fc1ccc(CN2CCC[N@@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000022983226 1127692847 /nfs/dbraw/zinc/69/28/47/1127692847.db2.gz YEISNZSAZGFYGR-UHFFFAOYSA-N 1 2 339.414 3.675 20 0 EHADLO O=C(COc1ccc(F)cc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889844 1127700733 /nfs/dbraw/zinc/70/07/33/1127700733.db2.gz MZFXSJICYVHJOT-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000765702490 1127728707 /nfs/dbraw/zinc/72/87/07/1127728707.db2.gz MVXZHJWHFBOKNK-XBXARRHUSA-N 1 2 342.402 3.683 20 0 EHADLO Clc1cccc2nc(Nc3ccc[nH+]c3N3CCOCC3)sc21 ZINC001212350363 1127762517 /nfs/dbraw/zinc/76/25/17/1127762517.db2.gz TVTCXXSXFIJVPR-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO CNc1ccc(Nc2cccc(F)c2I)c[nH+]1 ZINC001203459020 1127884669 /nfs/dbraw/zinc/88/46/69/1127884669.db2.gz WBGJHWRWKBMDJH-UHFFFAOYSA-N 1 2 343.143 3.611 20 0 EHADLO CC(C)c1ccc(CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000044904445 1127943060 /nfs/dbraw/zinc/94/30/60/1127943060.db2.gz FOZHYCBZUUQMPV-UHFFFAOYSA-N 1 2 343.496 3.826 20 0 EHADLO CC(C)c1ccc(CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000044904445 1127943062 /nfs/dbraw/zinc/94/30/62/1127943062.db2.gz FOZHYCBZUUQMPV-UHFFFAOYSA-N 1 2 343.496 3.826 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)on1 ZINC000044898192 1127943148 /nfs/dbraw/zinc/94/31/48/1127943148.db2.gz GCQKTQYCUMUYGO-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)on1 ZINC000044898192 1127943151 /nfs/dbraw/zinc/94/31/51/1127943151.db2.gz GCQKTQYCUMUYGO-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000045014595 1127944135 /nfs/dbraw/zinc/94/41/35/1127944135.db2.gz ZBALNGYGTMLDOV-UHFFFAOYSA-N 1 2 347.462 3.879 20 0 EHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)CC(C)C)cc1 ZINC000045294219 1127949519 /nfs/dbraw/zinc/94/95/19/1127949519.db2.gz FHLADMPAKCFLTQ-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000045913829 1127963551 /nfs/dbraw/zinc/96/35/51/1127963551.db2.gz NITZTDCBHNISOS-UHFFFAOYSA-N 1 2 347.418 3.655 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000045913829 1127963556 /nfs/dbraw/zinc/96/35/56/1127963556.db2.gz NITZTDCBHNISOS-UHFFFAOYSA-N 1 2 347.418 3.655 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914046 1127963577 /nfs/dbraw/zinc/96/35/77/1127963577.db2.gz PXJYFTXGUOSLET-BEFAXECRSA-N 1 2 343.471 3.919 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccs2)C[C@H](C)O1 ZINC000046341625 1127976388 /nfs/dbraw/zinc/97/63/88/1127976388.db2.gz BTNJZTYQRLPWKG-GJZGRUSLSA-N 1 2 344.480 3.539 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000046729791 1127989109 /nfs/dbraw/zinc/98/91/09/1127989109.db2.gz BNJOEZGLLQYOED-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240158 1128004002 /nfs/dbraw/zinc/00/40/02/1128004002.db2.gz KKZPZJQHQXVQRU-QGZVFWFLSA-N 1 2 333.435 3.683 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nc(C)cs1 ZINC000265693406 1128008890 /nfs/dbraw/zinc/00/88/90/1128008890.db2.gz GDBGLMNWQHZNJZ-CYBMUJFWSA-N 1 2 329.429 3.680 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000047597481 1128011232 /nfs/dbraw/zinc/01/12/32/1128011232.db2.gz LVSFFZQABIPXNH-QGZVFWFLSA-N 1 2 328.460 3.750 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056664850 1128025628 /nfs/dbraw/zinc/02/56/28/1128025628.db2.gz CVYIQQTVTUZDFH-OXQOHEQNSA-N 1 2 348.450 3.972 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000056664851 1128025737 /nfs/dbraw/zinc/02/57/37/1128025737.db2.gz CVYIQQTVTUZDFH-JXFKEZNVSA-N 1 2 348.450 3.972 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]1c1ccccc1 ZINC000056895594 1128031379 /nfs/dbraw/zinc/03/13/79/1128031379.db2.gz AVQOOUDGNOJWLN-IBGZPJMESA-N 1 2 332.407 3.529 20 0 EHADLO Fc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1-c1cccs1 ZINC000347520737 1128034048 /nfs/dbraw/zinc/03/40/48/1128034048.db2.gz OWVTXDIZIXBBGD-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1-c1cccs1 ZINC000347520737 1128034052 /nfs/dbraw/zinc/03/40/52/1128034052.db2.gz OWVTXDIZIXBBGD-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000058482645 1128070132 /nfs/dbraw/zinc/07/01/32/1128070132.db2.gz MUWOSCNYJOHBJF-QRQLOZEOSA-N 1 2 340.471 3.639 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000060408005 1128100884 /nfs/dbraw/zinc/10/08/84/1128100884.db2.gz ABQMHKIRGKVVAL-UHFFFAOYSA-N 1 2 330.190 3.539 20 0 EHADLO CCc1sc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000060216131 1128095354 /nfs/dbraw/zinc/09/53/54/1128095354.db2.gz LJJGATNUHZFUFT-UHFFFAOYSA-N 1 2 332.469 3.912 20 0 EHADLO CCCOc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614574 1128110379 /nfs/dbraw/zinc/11/03/79/1128110379.db2.gz SUEDLWLEXUYEDW-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000347574843 1128110456 /nfs/dbraw/zinc/11/04/56/1128110456.db2.gz JCTQKNQHWVSLSI-INIZCTEOSA-N 1 2 343.496 3.818 20 0 EHADLO FC(F)CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000060907056 1128116286 /nfs/dbraw/zinc/11/62/86/1128116286.db2.gz ZDRIEJHWINQVKP-UHFFFAOYSA-N 1 2 330.831 3.937 20 0 EHADLO Cc1ccn(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000347589685 1128124769 /nfs/dbraw/zinc/12/47/69/1128124769.db2.gz RLLVKCYBYKRDFE-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Brc1ccc2c(c1)CN(Cc1ccc3[nH+]ccn3c1)C2 ZINC001143018143 1128146094 /nfs/dbraw/zinc/14/60/94/1128146094.db2.gz GPGLOQUCAOUJEW-UHFFFAOYSA-N 1 2 328.213 3.613 20 0 EHADLO CC(C)(C)c1ccc(SCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000063705769 1128152795 /nfs/dbraw/zinc/15/27/95/1128152795.db2.gz XPBWSTVTFURGTR-UHFFFAOYSA-N 1 2 343.496 3.700 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1cccc2ccccc21 ZINC000064635148 1128171990 /nfs/dbraw/zinc/17/19/90/1128171990.db2.gz YUKONXZRPYFNOO-ZDUSSCGKSA-N 1 2 338.373 3.901 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1cccc2ccccc21 ZINC000064635148 1128171994 /nfs/dbraw/zinc/17/19/94/1128171994.db2.gz YUKONXZRPYFNOO-ZDUSSCGKSA-N 1 2 338.373 3.901 20 0 EHADLO CCc1ccsc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000064695311 1128174049 /nfs/dbraw/zinc/17/40/49/1128174049.db2.gz VNYPNOXBNFMRPC-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)no1 ZINC000067718589 1128248405 /nfs/dbraw/zinc/24/84/05/1128248405.db2.gz KXOOQTVNPZTBLJ-UHFFFAOYSA-N 1 2 326.371 3.991 20 0 EHADLO Cc1ccccc1-n1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC000066374503 1128215708 /nfs/dbraw/zinc/21/57/08/1128215708.db2.gz KAISUZOYDOXRGV-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CN1CC[N@H+](Cc2ncc(-c3cccs3)o2)Cc2ccccc21 ZINC000067380572 1128240165 /nfs/dbraw/zinc/24/01/65/1128240165.db2.gz UVNUPVOVWNPNHJ-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CN1CC[N@@H+](Cc2ncc(-c3cccs3)o2)Cc2ccccc21 ZINC000067380572 1128240169 /nfs/dbraw/zinc/24/01/69/1128240169.db2.gz UVNUPVOVWNPNHJ-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO O=C(/C=C/c1ccc(-c2ccccc2F)o1)NCCCn1cc[nH+]c1 ZINC000072595784 1128302194 /nfs/dbraw/zinc/30/21/94/1128302194.db2.gz XMCXBJPHCMKSAD-VQHVLOKHSA-N 1 2 339.370 3.502 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCCC(c1ccccc1)c1ccccc1 ZINC000072621023 1128302668 /nfs/dbraw/zinc/30/26/68/1128302668.db2.gz WWYIIIHPKUGVAS-UHFFFAOYSA-N 1 2 333.435 3.612 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771284 1128305981 /nfs/dbraw/zinc/30/59/81/1128305981.db2.gz VTJMTMMTVUEZSW-TUAOUCFPSA-N 1 2 342.892 3.501 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771284 1128305983 /nfs/dbraw/zinc/30/59/83/1128305983.db2.gz VTJMTMMTVUEZSW-TUAOUCFPSA-N 1 2 342.892 3.501 20 0 EHADLO CCc1ccc(-c2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)o2)cc1 ZINC000072921799 1128309671 /nfs/dbraw/zinc/30/96/71/1128309671.db2.gz NLDFDLFAKAKLPV-HXUWFJFHSA-N 1 2 334.419 3.825 20 0 EHADLO CCN(CCn1cc[nH+]c1)Cc1c(Cl)cccc1Br ZINC001137815830 1128429801 /nfs/dbraw/zinc/42/98/01/1128429801.db2.gz BRENOIWHOPVQRB-UHFFFAOYSA-N 1 2 342.668 3.821 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3snnc3C3CC3)cc2)[nH+]c1C ZINC000921656697 1128438017 /nfs/dbraw/zinc/43/80/17/1128438017.db2.gz UXSPDTHRZXKLOM-UHFFFAOYSA-N 1 2 339.424 3.675 20 0 EHADLO CSCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000122989882 1128451992 /nfs/dbraw/zinc/45/19/92/1128451992.db2.gz LGHDCVUHZFQQSU-INIZCTEOSA-N 1 2 325.437 3.779 20 0 EHADLO Fc1nc(Cl)ccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213284575 1128463687 /nfs/dbraw/zinc/46/36/87/1128463687.db2.gz XYOLCPDOPYNQTI-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO C[C@@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000153648905 1128555997 /nfs/dbraw/zinc/55/59/97/1128555997.db2.gz SKTXJZBJYVXOJX-INIZCTEOSA-N 1 2 327.472 3.566 20 0 EHADLO Fc1cccc(Cl)c1CCNc1ccccc1C[NH+]1CCOCC1 ZINC000542726918 1128564910 /nfs/dbraw/zinc/56/49/10/1128564910.db2.gz FZMPRXWBYMZXFY-UHFFFAOYSA-N 1 2 348.849 3.966 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NCCn3cc[nH+]c3)CCCC2)cc1 ZINC000108152806 1128600877 /nfs/dbraw/zinc/60/08/77/1128600877.db2.gz CYBFAFQABGFUHI-UHFFFAOYSA-N 1 2 325.456 3.635 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000057373592 1128633721 /nfs/dbraw/zinc/63/37/21/1128633721.db2.gz FSSTVUPMZUNFHK-UHFFFAOYSA-N 1 2 346.862 3.691 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccsc2Br)c2ccccc21 ZINC000388404764 1128735443 /nfs/dbraw/zinc/73/54/43/1128735443.db2.gz RJSRHXDCDIZLMX-UHFFFAOYSA-N 1 2 336.258 3.687 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1F ZINC000172621621 1128739907 /nfs/dbraw/zinc/73/99/07/1128739907.db2.gz YDHWASDSGVPPPP-QZTJIDSGSA-N 1 2 332.394 3.835 20 0 EHADLO CCC(CC)c1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2F)on1 ZINC000921784387 1128759640 /nfs/dbraw/zinc/75/96/40/1128759640.db2.gz CEPSOZUNMVTUNG-UHFFFAOYSA-N 1 2 334.391 3.794 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953104 1128772845 /nfs/dbraw/zinc/77/28/45/1128772845.db2.gz BUWLBRQACBJUMR-IIYDPXPESA-N 1 2 338.879 3.721 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953104 1128772849 /nfs/dbraw/zinc/77/28/49/1128772849.db2.gz BUWLBRQACBJUMR-IIYDPXPESA-N 1 2 338.879 3.721 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000921808362 1128780400 /nfs/dbraw/zinc/78/04/00/1128780400.db2.gz YEEJWMOYPBCJEV-UHFFFAOYSA-N 1 2 336.357 3.991 20 0 EHADLO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC000921821539 1128788912 /nfs/dbraw/zinc/78/89/12/1128788912.db2.gz PCIXVOIGDLBHKX-CYBMUJFWSA-N 1 2 325.243 3.826 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338747705 1128831881 /nfs/dbraw/zinc/83/18/81/1128831881.db2.gz PRLIYZLDZGIZAL-UHFFFAOYSA-N 1 2 341.455 3.854 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000111292246 1128857240 /nfs/dbraw/zinc/85/72/40/1128857240.db2.gz HRASQIHPTXQENK-GFCCVEGCSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000111292246 1128857245 /nfs/dbraw/zinc/85/72/45/1128857245.db2.gz HRASQIHPTXQENK-GFCCVEGCSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1cccn2cc(CCNc3nccc(C)c3Br)[nH+]c12 ZINC000672229523 1128862254 /nfs/dbraw/zinc/86/22/54/1128862254.db2.gz JGUPGBNKBOIHKH-UHFFFAOYSA-N 1 2 345.244 3.763 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3ccc(O)cc3)CC2)o1 ZINC000075594680 1128868454 /nfs/dbraw/zinc/86/84/54/1128868454.db2.gz ODFNRUZHWSCWRC-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000064014022 1120015807 /nfs/dbraw/zinc/01/58/07/1120015807.db2.gz GWCXAKPESMVQKN-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000064014022 1120015812 /nfs/dbraw/zinc/01/58/12/1120015812.db2.gz GWCXAKPESMVQKN-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2sccc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000109258548 1120028605 /nfs/dbraw/zinc/02/86/05/1120028605.db2.gz YEMDHAVSDVGZNP-LBTNJELSSA-N 1 2 346.496 3.974 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccccc2OCC2CC2)c1 ZINC000130091920 1120074610 /nfs/dbraw/zinc/07/46/10/1120074610.db2.gz XHNLXCCAQZBTPR-UHFFFAOYSA-N 1 2 344.480 3.708 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@]2(O)CCCC(C)(C)CC2)c(C)[nH+]1 ZINC001670648314 1120095425 /nfs/dbraw/zinc/09/54/25/1120095425.db2.gz FNJPGPJDZIOSMM-IBGZPJMESA-N 1 2 333.476 3.850 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1nc(C(F)(F)F)cs1 ZINC000072926777 1120096790 /nfs/dbraw/zinc/09/67/90/1120096790.db2.gz ZKIRHKDGBMVGIY-LLVKDONJSA-N 1 2 343.374 3.502 20 0 EHADLO Cc1ccnn1-c1ccccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001670719632 1120108312 /nfs/dbraw/zinc/10/83/12/1120108312.db2.gz DCDNPDMWYAABDH-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO CCS(=O)(=O)Nc1ccc(Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000243274652 1120198842 /nfs/dbraw/zinc/19/88/42/1120198842.db2.gz KWYZXKWTZNYZST-UHFFFAOYSA-N 1 2 345.468 3.792 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(C(F)F)n2)cc1OC(F)F ZINC000347673437 1128905132 /nfs/dbraw/zinc/90/51/32/1128905132.db2.gz DNQVZGQWHSCKDL-UHFFFAOYSA-N 1 2 347.312 3.520 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(C(F)F)n2)cc1OC(F)F ZINC000347673437 1128905135 /nfs/dbraw/zinc/90/51/35/1128905135.db2.gz DNQVZGQWHSCKDL-UHFFFAOYSA-N 1 2 347.312 3.520 20 0 EHADLO C[C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687423720 1120336187 /nfs/dbraw/zinc/33/61/87/1120336187.db2.gz DQDFNBYSSYNIHY-WBVHZDCISA-N 1 2 328.460 3.606 20 0 EHADLO CCC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000185826812 1120430193 /nfs/dbraw/zinc/43/01/93/1120430193.db2.gz BUPMCSVGUAJPLB-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168464455 1120493385 /nfs/dbraw/zinc/49/33/85/1120493385.db2.gz GQDDESSXSKECCL-FOIQADDNSA-N 1 2 329.415 3.521 20 0 EHADLO CC[N@H+](CCOCC(F)(F)C(F)F)Cc1c(F)cccc1F ZINC000189034708 1120527242 /nfs/dbraw/zinc/52/72/42/1120527242.db2.gz UKOOVMSWLOLKJP-UHFFFAOYSA-N 1 2 329.284 3.704 20 0 EHADLO CC[N@@H+](CCOCC(F)(F)C(F)F)Cc1c(F)cccc1F ZINC000189034708 1120527244 /nfs/dbraw/zinc/52/72/44/1120527244.db2.gz UKOOVMSWLOLKJP-UHFFFAOYSA-N 1 2 329.284 3.704 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000224594598 1120684471 /nfs/dbraw/zinc/68/44/71/1120684471.db2.gz GHBLWQBQUACJOO-SNVBAGLBSA-N 1 2 349.232 3.658 20 0 EHADLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000191900215 1120701752 /nfs/dbraw/zinc/70/17/52/1120701752.db2.gz JTFOWMOCLAFRMA-UHFFFAOYSA-N 1 2 348.859 3.807 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000494636817 1120709615 /nfs/dbraw/zinc/70/96/15/1120709615.db2.gz MDZFOUGFFFSIDJ-ZFWWWQNUSA-N 1 2 343.452 3.799 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(F)c1OCC ZINC000192261336 1120728807 /nfs/dbraw/zinc/72/88/07/1120728807.db2.gz LODWURIEFRNHMU-UHFFFAOYSA-N 1 2 347.434 3.536 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(C)(C)C2=CCCCC2)C1 ZINC000444103213 1120749444 /nfs/dbraw/zinc/74/94/44/1120749444.db2.gz UMGATZFEUFVPOH-MRXNPFEDSA-N 1 2 344.503 3.836 20 0 EHADLO COCc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761700638 1120832530 /nfs/dbraw/zinc/83/25/30/1120832530.db2.gz SHESERAOHIXVNE-UHFFFAOYSA-N 1 2 332.363 3.736 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2ccccc2F)c1C ZINC000194843116 1120865761 /nfs/dbraw/zinc/86/57/61/1120865761.db2.gz JVTBGYSMYYNJCH-UHFFFAOYSA-N 1 2 344.430 3.782 20 0 EHADLO Brc1cccc2c1C[N@H+](C/C=C\c1ccncc1)CC2 ZINC000494948814 1120910283 /nfs/dbraw/zinc/91/02/83/1120910283.db2.gz CUMCUVMDRSXVSZ-IHWYPQMZSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1cccc2c1C[N@@H+](C/C=C\c1ccncc1)CC2 ZINC000494948814 1120910286 /nfs/dbraw/zinc/91/02/86/1120910286.db2.gz CUMCUVMDRSXVSZ-IHWYPQMZSA-N 1 2 329.241 3.916 20 0 EHADLO Fc1ccc(N2CC[NH+](C/C=C/c3ccncc3)CC2)c(Cl)c1 ZINC000494960247 1120915053 /nfs/dbraw/zinc/91/50/53/1120915053.db2.gz NXIHXXVARWPFAV-OWOJBTEDSA-N 1 2 331.822 3.710 20 0 EHADLO Clc1cccc(Cl)c1OCCN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495005366 1120929592 /nfs/dbraw/zinc/92/95/92/1120929592.db2.gz JDQOWRLTVDFWTE-LBPRGKRZSA-N 1 2 340.254 3.975 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000495057364 1120941179 /nfs/dbraw/zinc/94/11/79/1120941179.db2.gz GDTWWQGQQFUHNY-HNNXBMFYSA-N 1 2 336.386 3.817 20 0 EHADLO O=C(CCC1CCCCC1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495148391 1120969281 /nfs/dbraw/zinc/96/92/81/1120969281.db2.gz CMYIZTSQIHWPEQ-DAXSKMNVSA-N 1 2 341.499 3.600 20 0 EHADLO CC(C)CC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000154502602 1120984472 /nfs/dbraw/zinc/98/44/72/1120984472.db2.gz CYLALBGSCPCWRN-SJORKVTESA-N 1 2 332.492 3.692 20 0 EHADLO CCCCC[N@H+](Cn1nc(CO)n(-c2ccccc2)c1=S)C(C)C ZINC000762022822 1121060863 /nfs/dbraw/zinc/06/08/63/1121060863.db2.gz GOTKPKWYVWUEKW-UHFFFAOYSA-N 1 2 348.516 3.754 20 0 EHADLO CCCCC[N@@H+](Cn1nc(CO)n(-c2ccccc2)c1=S)C(C)C ZINC000762022822 1121060871 /nfs/dbraw/zinc/06/08/71/1121060871.db2.gz GOTKPKWYVWUEKW-UHFFFAOYSA-N 1 2 348.516 3.754 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCC3CCCC3)cn2c1 ZINC000495374764 1121147342 /nfs/dbraw/zinc/14/73/42/1121147342.db2.gz BCOXCMYZMHABLY-UHFFFAOYSA-N 1 2 345.512 3.963 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000495497405 1121237192 /nfs/dbraw/zinc/23/71/92/1121237192.db2.gz PYBIGDKECKHZRC-CHYADLBTSA-N 1 2 325.456 3.862 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209370 1121253191 /nfs/dbraw/zinc/25/31/91/1121253191.db2.gz OLBLMUDILXONPB-CQSZACIVSA-N 1 2 333.505 3.820 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209370 1121253199 /nfs/dbraw/zinc/25/31/99/1121253199.db2.gz OLBLMUDILXONPB-CQSZACIVSA-N 1 2 333.505 3.820 20 0 EHADLO O=C1c2ccc(F)cc2C(=O)N1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762468053 1121313944 /nfs/dbraw/zinc/31/39/44/1121313944.db2.gz VUPRJYQZSLPCMP-GOSISDBHSA-N 1 2 338.382 3.606 20 0 EHADLO O=C1c2ccc(F)cc2C(=O)N1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762468053 1121313954 /nfs/dbraw/zinc/31/39/54/1121313954.db2.gz VUPRJYQZSLPCMP-GOSISDBHSA-N 1 2 338.382 3.606 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000762634723 1121392511 /nfs/dbraw/zinc/39/25/11/1121392511.db2.gz QTUDZXNUXUBWGP-GFCCVEGCSA-N 1 2 328.803 3.944 20 0 EHADLO Clc1cc2c(cc1NC1CCN(c3cccc[nH+]3)CC1)OCCO2 ZINC000237719315 1121492606 /nfs/dbraw/zinc/49/26/06/1121492606.db2.gz INTICXGIFSCJJX-UHFFFAOYSA-N 1 2 345.830 3.587 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)cn1 ZINC000542573196 1121507149 /nfs/dbraw/zinc/50/71/49/1121507149.db2.gz FGXYSYUVMVCTAP-KBPBESRZSA-N 1 2 325.416 3.926 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000763003870 1121651276 /nfs/dbraw/zinc/65/12/76/1121651276.db2.gz RDWCVZAXIWQCMK-HXUWFJFHSA-N 1 2 349.434 3.578 20 0 EHADLO C[C@H](CC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000496103183 1121684751 /nfs/dbraw/zinc/68/47/51/1121684751.db2.gz LMVSAXPEUZLYJG-CYBMUJFWSA-N 1 2 345.399 3.787 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)NCc1c[nH+]cn1C ZINC000356766653 1129003004 /nfs/dbraw/zinc/00/30/04/1129003004.db2.gz PXDZMDWEEHHZJJ-UHFFFAOYSA-N 1 2 337.876 3.896 20 0 EHADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccon2)CC1 ZINC000496127727 1121707223 /nfs/dbraw/zinc/70/72/23/1121707223.db2.gz YFPWUBWKFXOBED-MRXNPFEDSA-N 1 2 349.475 3.532 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccccc1Cl ZINC000054022653 1121729205 /nfs/dbraw/zinc/72/92/05/1121729205.db2.gz PHSGXYPGIANQFR-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000171750529 1121734625 /nfs/dbraw/zinc/73/46/25/1121734625.db2.gz HCNRZAQVZZHCSJ-ZFWWWQNUSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000171750529 1121734628 /nfs/dbraw/zinc/73/46/28/1121734628.db2.gz HCNRZAQVZZHCSJ-ZFWWWQNUSA-N 1 2 345.512 3.712 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(OC(F)F)c1 ZINC000054225440 1121750441 /nfs/dbraw/zinc/75/04/41/1121750441.db2.gz SZRGXOHZVZPLQN-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000054340798 1121753929 /nfs/dbraw/zinc/75/39/29/1121753929.db2.gz TWRSYKYIEOFGTQ-MRXNPFEDSA-N 1 2 347.480 3.552 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000054340798 1121753938 /nfs/dbraw/zinc/75/39/38/1121753938.db2.gz TWRSYKYIEOFGTQ-MRXNPFEDSA-N 1 2 347.480 3.552 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)NCCCn1cc[nH+]c1 ZINC000054852299 1121784317 /nfs/dbraw/zinc/78/43/17/1121784317.db2.gz VGOXLHKLTCPUMQ-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000763180666 1121799077 /nfs/dbraw/zinc/79/90/77/1121799077.db2.gz RIEBNIAXZBXJST-UHFFFAOYSA-N 1 2 332.835 3.893 20 0 EHADLO CCOc1ccc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000056013997 1121898387 /nfs/dbraw/zinc/89/83/87/1121898387.db2.gz FFZZHCUENUFDEG-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000123916795 1122268769 /nfs/dbraw/zinc/26/87/69/1122268769.db2.gz ZHNUMKIRUQTRNB-INIZCTEOSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000066564841 1122474627 /nfs/dbraw/zinc/47/46/27/1122474627.db2.gz LUZIQYXFDHLDBJ-ZFWWWQNUSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000066564841 1122474629 /nfs/dbraw/zinc/47/46/29/1122474629.db2.gz LUZIQYXFDHLDBJ-ZFWWWQNUSA-N 1 2 343.496 3.640 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnc(-c2ccccc2)nc1 ZINC000066916823 1122490884 /nfs/dbraw/zinc/49/08/84/1122490884.db2.gz CLRJHAXDAVPZGN-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(Cl)cc1F ZINC000128450405 1122598481 /nfs/dbraw/zinc/59/84/81/1122598481.db2.gz BJWURVAAKRMKIF-UHFFFAOYSA-N 1 2 335.810 3.805 20 0 EHADLO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3c(F)cccc3F)cc(=O)oc12 ZINC000917939644 1122714408 /nfs/dbraw/zinc/71/44/08/1122714408.db2.gz QBIOPSBCHHIIBS-LLVKDONJSA-N 1 2 345.345 3.936 20 0 EHADLO O=C1[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CCN1c1ccccc1 ZINC000068946246 1122730402 /nfs/dbraw/zinc/73/04/02/1122730402.db2.gz YZEJEPVSDGFAMI-UYAOXDASSA-N 1 2 332.403 3.764 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069068418 1122750274 /nfs/dbraw/zinc/75/02/74/1122750274.db2.gz VGMCPZLFHXNCLV-MRXNPFEDSA-N 1 2 341.455 3.820 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069068418 1122750280 /nfs/dbraw/zinc/75/02/80/1122750280.db2.gz VGMCPZLFHXNCLV-MRXNPFEDSA-N 1 2 341.455 3.820 20 0 EHADLO CCCCS[C@H](C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000918148938 1122766909 /nfs/dbraw/zinc/76/69/09/1122766909.db2.gz OUIJRXRYLRATNT-GFCCVEGCSA-N 1 2 329.535 3.845 20 0 EHADLO CC(C)([NH2+]Cc1csc(C2CC2)n1)C(=O)NCC1CCCCC1 ZINC000129504100 1122791588 /nfs/dbraw/zinc/79/15/88/1122791588.db2.gz JNSKBLJYMBNLTE-UHFFFAOYSA-N 1 2 335.517 3.585 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000129820255 1122849226 /nfs/dbraw/zinc/84/92/26/1122849226.db2.gz PWXCOZJGPNXRED-AQDCRGGLSA-N 1 2 346.434 3.890 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(F)cc1 ZINC000498349885 1122880318 /nfs/dbraw/zinc/88/03/18/1122880318.db2.gz LYQQRLDAYZEVEA-WBMJQRKESA-N 1 2 334.460 3.884 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cn2ccccc2n1 ZINC000556244577 1122895595 /nfs/dbraw/zinc/89/55/95/1122895595.db2.gz DOJFEJFXXHDQCK-NWDGAFQWSA-N 1 2 345.244 3.904 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)C[C@H]2CCCCO2)c1=S ZINC000918732362 1122900770 /nfs/dbraw/zinc/90/07/70/1122900770.db2.gz OYNARHCXJDPPCI-MRXNPFEDSA-N 1 2 331.485 3.681 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)C[C@H]2CCCCO2)c1=S ZINC000918732362 1122900773 /nfs/dbraw/zinc/90/07/73/1122900773.db2.gz OYNARHCXJDPPCI-MRXNPFEDSA-N 1 2 331.485 3.681 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC2CCC1CC2 ZINC000556279614 1122909960 /nfs/dbraw/zinc/90/99/60/1122909960.db2.gz WKEYJEGSNPITOB-KVZIAJEVSA-N 1 2 342.483 3.592 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127450809 1122934139 /nfs/dbraw/zinc/93/41/39/1122934139.db2.gz JGAFKMZNXVQQAF-KRWDZBQOSA-N 1 2 325.456 3.972 20 0 EHADLO COCc1ccccc1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923841968 1122935687 /nfs/dbraw/zinc/93/56/87/1122935687.db2.gz VMXPMCBWBYVLPL-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccccc2OC)cc1 ZINC000130448052 1122952343 /nfs/dbraw/zinc/95/23/43/1122952343.db2.gz IJNIDAIIVDWBGR-OAQYLSRUSA-N 1 2 334.419 3.978 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000130613426 1122974225 /nfs/dbraw/zinc/97/42/25/1122974225.db2.gz LXUUMSOOMMQXNT-MGPUTAFESA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000130613426 1122974230 /nfs/dbraw/zinc/97/42/30/1122974230.db2.gz LXUUMSOOMMQXNT-MGPUTAFESA-N 1 2 327.424 3.666 20 0 EHADLO Cc1c(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1[C@@H]1CCOC1 ZINC000556444623 1122978146 /nfs/dbraw/zinc/97/81/46/1122978146.db2.gz OVOZMDVCWSDTPU-RDTXWAMCSA-N 1 2 337.427 3.512 20 0 EHADLO CC(C)n1ncc2cc(Cn3c[nH+]c(Cc4ccccc4)c3)cnc21 ZINC000919143282 1122985648 /nfs/dbraw/zinc/98/56/48/1122985648.db2.gz GBKOLDNECCCEPY-UHFFFAOYSA-N 1 2 331.423 3.848 20 0 EHADLO Cc1ccc2ncc(C[N@H+](C)Cc3ccc(Br)o3)n2c1 ZINC000130712746 1122988673 /nfs/dbraw/zinc/98/86/73/1122988673.db2.gz VQBRNXITTGHMQC-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(Br)o3)n2c1 ZINC000130712746 1122988676 /nfs/dbraw/zinc/98/86/76/1122988676.db2.gz VQBRNXITTGHMQC-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccc2[nH+]cc(CN(C)Cc3ccc(Br)o3)n2c1 ZINC000130712746 1122988678 /nfs/dbraw/zinc/98/86/78/1122988678.db2.gz VQBRNXITTGHMQC-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000445163357 1123050156 /nfs/dbraw/zinc/05/01/56/1123050156.db2.gz USKFZQHKSBHOKG-HNNXBMFYSA-N 1 2 337.427 3.621 20 0 EHADLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000498795937 1123070381 /nfs/dbraw/zinc/07/03/81/1123070381.db2.gz RUDKPNQDANWEDK-DZGCQCFKSA-N 1 2 327.415 3.963 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000556689472 1123084141 /nfs/dbraw/zinc/08/41/41/1123084141.db2.gz ZEKIOYXIEQIWNB-ZBFHGGJFSA-N 1 2 331.847 3.757 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1(C2CCC2)CCC1 ZINC000556724751 1123092062 /nfs/dbraw/zinc/09/20/62/1123092062.db2.gz DIEMTGKHLOKCRP-UHFFFAOYSA-N 1 2 342.418 3.533 20 0 EHADLO c1c(C[NH+]2CCC(Oc3ccccn3)CC2)noc1-c1ccccc1 ZINC000556763735 1123112814 /nfs/dbraw/zinc/11/28/14/1123112814.db2.gz PQGWZCCULWVPQY-UHFFFAOYSA-N 1 2 335.407 3.780 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000556806950 1123131570 /nfs/dbraw/zinc/13/15/70/1123131570.db2.gz PQCVOCZGGSGCLD-APWZRJJASA-N 1 2 339.439 3.634 20 0 EHADLO CC(C)C1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000073712232 1123217226 /nfs/dbraw/zinc/21/72/26/1123217226.db2.gz FYGUUMRFKYYNSS-UHFFFAOYSA-N 1 2 340.471 3.509 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000073865554 1123226128 /nfs/dbraw/zinc/22/61/28/1123226128.db2.gz DFQOMERIMCISLV-LJQANCHMSA-N 1 2 326.444 3.594 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000428827915 1123305852 /nfs/dbraw/zinc/30/58/52/1123305852.db2.gz NLSAYTSCRNRUQR-CVEARBPZSA-N 1 2 346.519 3.966 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000428827918 1123307635 /nfs/dbraw/zinc/30/76/35/1123307635.db2.gz NLSAYTSCRNRUQR-HOTGVXAUSA-N 1 2 346.519 3.966 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000920210598 1123334379 /nfs/dbraw/zinc/33/43/79/1123334379.db2.gz IEJLZXGUOXTGEY-MRXNPFEDSA-N 1 2 332.488 3.528 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCc2ccc(OC)cc2C1 ZINC000920210598 1123334382 /nfs/dbraw/zinc/33/43/82/1123334382.db2.gz IEJLZXGUOXTGEY-MRXNPFEDSA-N 1 2 332.488 3.528 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000920868421 1123434975 /nfs/dbraw/zinc/43/49/75/1123434975.db2.gz WYZIRUZYMMQJSN-GJZGRUSLSA-N 1 2 332.488 3.810 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000920868421 1123434978 /nfs/dbraw/zinc/43/49/78/1123434978.db2.gz WYZIRUZYMMQJSN-GJZGRUSLSA-N 1 2 332.488 3.810 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)n1 ZINC000921030291 1123453717 /nfs/dbraw/zinc/45/37/17/1123453717.db2.gz MRTNLEKBFDERPI-ZDUSSCGKSA-N 1 2 349.475 3.941 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000921200992 1123478453 /nfs/dbraw/zinc/47/84/53/1123478453.db2.gz FGPUIUOBHNHDNV-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO Cc1ncc(Cl)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000076321571 1123487330 /nfs/dbraw/zinc/48/73/30/1123487330.db2.gz PRLOVGRGSCJNOA-UHFFFAOYSA-N 1 2 348.193 3.530 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000134156882 1123496629 /nfs/dbraw/zinc/49/66/29/1123496629.db2.gz IFFDIXWUFGOBRW-IEBWSBKVSA-N 1 2 339.483 3.807 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(OCC(C)C)CC2)cs1 ZINC000076721369 1123516250 /nfs/dbraw/zinc/51/62/50/1123516250.db2.gz BWSPUAGZZJRIMU-AWEZNQCLSA-N 1 2 326.506 3.878 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479132 1123529287 /nfs/dbraw/zinc/52/92/87/1123529287.db2.gz RKACDUGAFDOCAR-SJORKVTESA-N 1 2 342.487 3.616 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479132 1123529292 /nfs/dbraw/zinc/52/92/92/1123529292.db2.gz RKACDUGAFDOCAR-SJORKVTESA-N 1 2 342.487 3.616 20 0 EHADLO CCCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134684087 1123542450 /nfs/dbraw/zinc/54/24/50/1123542450.db2.gz DMRPNENMNVVQSO-IAGOWNOFSA-N 1 2 339.430 3.542 20 0 EHADLO CCCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134684087 1123542452 /nfs/dbraw/zinc/54/24/52/1123542452.db2.gz DMRPNENMNVVQSO-IAGOWNOFSA-N 1 2 339.430 3.542 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000089968570 1123554657 /nfs/dbraw/zinc/55/46/57/1123554657.db2.gz LVIGLOWUENURMM-CVEARBPZSA-N 1 2 334.419 3.609 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000089968570 1123554661 /nfs/dbraw/zinc/55/46/61/1123554661.db2.gz LVIGLOWUENURMM-CVEARBPZSA-N 1 2 334.419 3.609 20 0 EHADLO C[C@H](c1nnc(SCCCF)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000135061705 1123578524 /nfs/dbraw/zinc/57/85/24/1123578524.db2.gz OTCVODHHXQTHMY-LLVKDONJSA-N 1 2 342.871 3.995 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000135084633 1123580611 /nfs/dbraw/zinc/58/06/11/1123580611.db2.gz IXYRZMADPKQNIH-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000543031410 1129131466 /nfs/dbraw/zinc/13/14/66/1129131466.db2.gz DUEQWJKLHUFFIN-ZOWXZIJZSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000543031410 1129131470 /nfs/dbraw/zinc/13/14/70/1129131470.db2.gz DUEQWJKLHUFFIN-ZOWXZIJZSA-N 1 2 327.346 3.651 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609556063 1123612889 /nfs/dbraw/zinc/61/28/89/1123612889.db2.gz VQTOWRKCAFTUQM-INIZCTEOSA-N 1 2 330.457 3.615 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000609618987 1123625722 /nfs/dbraw/zinc/62/57/22/1123625722.db2.gz WLUZNRRINKVNGI-UHFFFAOYSA-N 1 2 331.828 3.860 20 0 EHADLO CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000079103016 1123672971 /nfs/dbraw/zinc/67/29/71/1123672971.db2.gz ILGNTFSJZGVEDG-UHFFFAOYSA-N 1 2 338.455 3.956 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@@H](C(C)C)C2)n1 ZINC000079469566 1123696986 /nfs/dbraw/zinc/69/69/86/1123696986.db2.gz AZPFXVUKHYCPRT-MRXNPFEDSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@@H](C(C)C)C2)n1 ZINC000079469566 1123696991 /nfs/dbraw/zinc/69/69/91/1123696991.db2.gz AZPFXVUKHYCPRT-MRXNPFEDSA-N 1 2 331.485 3.542 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000615334500 1123782957 /nfs/dbraw/zinc/78/29/57/1123782957.db2.gz KQEXDJOODOPYTE-UWVGGRQHSA-N 1 2 340.320 3.921 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000615453583 1123803451 /nfs/dbraw/zinc/80/34/51/1123803451.db2.gz CNCGMNRYMPYCEB-QGZVFWFLSA-N 1 2 340.442 3.962 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573113 1123880617 /nfs/dbraw/zinc/88/06/17/1123880617.db2.gz CTKCAJZTKUVNIE-MZPVMMEZSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573113 1123880624 /nfs/dbraw/zinc/88/06/24/1123880624.db2.gz CTKCAJZTKUVNIE-MZPVMMEZSA-N 1 2 338.854 3.777 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)C12CCC2 ZINC000179954811 1123908199 /nfs/dbraw/zinc/90/81/99/1123908199.db2.gz ZKMDGXKVQMCSCL-AYOQOUSVSA-N 1 2 330.472 3.671 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(C)c(F)c2)[nH+]1 ZINC000068373451 1123928577 /nfs/dbraw/zinc/92/85/77/1123928577.db2.gz IVKQBXYYMYAWKK-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]1C1CCCCC1 ZINC000616094710 1123941518 /nfs/dbraw/zinc/94/15/18/1123941518.db2.gz WVZIJYNCMDCFDY-KRWDZBQOSA-N 1 2 330.476 3.638 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000245930808 1123983692 /nfs/dbraw/zinc/98/36/92/1123983692.db2.gz YKZQKTQWOKKLQZ-CABCVRRESA-N 1 2 345.443 3.635 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000245930808 1123983695 /nfs/dbraw/zinc/98/36/95/1123983695.db2.gz YKZQKTQWOKKLQZ-CABCVRRESA-N 1 2 345.443 3.635 20 0 EHADLO CCc1cnc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551426369 1124081516 /nfs/dbraw/zinc/08/15/16/1124081516.db2.gz WACLFSSFZMUDGH-HNNXBMFYSA-N 1 2 336.233 3.635 20 0 EHADLO O=C(OCc1coc(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181111870 1124532556 /nfs/dbraw/zinc/53/25/56/1124532556.db2.gz QJBRAISABGRQFW-UHFFFAOYSA-N 1 2 345.358 3.884 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000246982388 1124574742 /nfs/dbraw/zinc/57/47/42/1124574742.db2.gz JRKFCDFJEQOPIB-SJLPKXTDSA-N 1 2 343.471 3.978 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000246982388 1124574750 /nfs/dbraw/zinc/57/47/50/1124574750.db2.gz JRKFCDFJEQOPIB-SJLPKXTDSA-N 1 2 343.471 3.978 20 0 EHADLO CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000248043599 1124636367 /nfs/dbraw/zinc/63/63/67/1124636367.db2.gz UKBRVKOQKHEFGH-CEXWTWQISA-N 1 2 349.588 3.841 20 0 EHADLO Cc1ccc2c(c1)CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000617605493 1124684220 /nfs/dbraw/zinc/68/42/20/1124684220.db2.gz QNIYBDFKDILIDW-HXUWFJFHSA-N 1 2 345.446 3.825 20 0 EHADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000248858419 1124708056 /nfs/dbraw/zinc/70/80/56/1124708056.db2.gz WTTXUEPNYBFYMM-PEGIJTEDSA-N 1 2 332.669 3.836 20 0 EHADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000248858419 1124708064 /nfs/dbraw/zinc/70/80/64/1124708064.db2.gz WTTXUEPNYBFYMM-PEGIJTEDSA-N 1 2 332.669 3.836 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2nc3cc(Cl)ccc3s2)c[nH+]1 ZINC000825571621 1131281705 /nfs/dbraw/zinc/28/17/05/1131281705.db2.gz BQOXQQWTWLKCFW-UHFFFAOYSA-N 1 2 348.859 3.506 20 0 EHADLO CCCCC[N@H+](Cn1nnn(Cc2cccs2)c1=S)C(C)C ZINC000734829033 1131282718 /nfs/dbraw/zinc/28/27/18/1131282718.db2.gz FUGUWBJPLRHLPC-UHFFFAOYSA-N 1 2 339.534 3.777 20 0 EHADLO CCCCC[N@@H+](Cn1nnn(Cc2cccs2)c1=S)C(C)C ZINC000734829033 1131282721 /nfs/dbraw/zinc/28/27/21/1131282721.db2.gz FUGUWBJPLRHLPC-UHFFFAOYSA-N 1 2 339.534 3.777 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C ZINC000251901614 1124954380 /nfs/dbraw/zinc/95/43/80/1124954380.db2.gz QZPDEULWUGVSTK-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C ZINC000251901614 1124954384 /nfs/dbraw/zinc/95/43/84/1124954384.db2.gz QZPDEULWUGVSTK-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cc(C)cc(C)c1 ZINC000618159248 1125006538 /nfs/dbraw/zinc/00/65/38/1125006538.db2.gz SWGAGSGWAGQVEH-UHFFFAOYSA-N 1 2 343.377 3.556 20 0 EHADLO COCc1cc(C[NH2+]Cc2occc2Br)ccc1F ZINC000735321306 1131331406 /nfs/dbraw/zinc/33/14/06/1131331406.db2.gz MWAONDZBFBDHJI-UHFFFAOYSA-N 1 2 328.181 3.617 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000181933216 1125089963 /nfs/dbraw/zinc/08/99/63/1125089963.db2.gz GIRBGEZMJGOFQP-LRXXLLMYSA-N 1 2 349.478 3.699 20 0 EHADLO CCC(=O)Nc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735324474 1131332314 /nfs/dbraw/zinc/33/23/14/1131332314.db2.gz MIGKJRLGSNJTRP-UHFFFAOYSA-N 1 2 337.217 3.680 20 0 EHADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000093321483 1125224158 /nfs/dbraw/zinc/22/41/58/1125224158.db2.gz XWODSCBYFAFAEX-UHFFFAOYSA-N 1 2 336.426 3.626 20 0 EHADLO C[N@H+](Cc1cnc(C2CC2)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512566 1125264378 /nfs/dbraw/zinc/26/43/78/1125264378.db2.gz USLLEVGRCRZUSO-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO C[N@@H+](Cc1cnc(C2CC2)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512566 1125264385 /nfs/dbraw/zinc/26/43/85/1125264385.db2.gz USLLEVGRCRZUSO-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO O=C(NC1CCC2(CC2(F)F)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000619234391 1125322702 /nfs/dbraw/zinc/32/27/02/1125322702.db2.gz RWGYMPYWCZKQHL-UHFFFAOYSA-N 1 2 345.393 3.629 20 0 EHADLO Cc1ccc(CNC(=O)C2CC[NH+](C/C(Cl)=C\Cl)CC2)cc1 ZINC000763568906 1125343351 /nfs/dbraw/zinc/34/33/51/1125343351.db2.gz ZKIKNLQTELKSCV-MHWRWJLKSA-N 1 2 341.282 3.642 20 0 EHADLO O=C1C[C@H](c2ccccc2F)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000182652259 1125349397 /nfs/dbraw/zinc/34/93/97/1125349397.db2.gz GOASOQJNFUEVEI-AWEZNQCLSA-N 1 2 344.455 3.825 20 0 EHADLO O=C1C[C@H](c2ccccc2F)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000182652259 1125349398 /nfs/dbraw/zinc/34/93/98/1125349398.db2.gz GOASOQJNFUEVEI-AWEZNQCLSA-N 1 2 344.455 3.825 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152711946 1125372434 /nfs/dbraw/zinc/37/24/34/1125372434.db2.gz DGNBZZKTRYYXQR-MSOLQXFVSA-N 1 2 329.488 3.629 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCCO[C@H](CC)C1 ZINC000543075582 1129184256 /nfs/dbraw/zinc/18/42/56/1129184256.db2.gz FUQMLCWDEACMSK-OAHLLOKOSA-N 1 2 342.439 3.725 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccc(C)cn1)Cc1ccccc1Cl ZINC000673127740 1129199067 /nfs/dbraw/zinc/19/90/67/1129199067.db2.gz RRRJAHKCTMYZEX-UHFFFAOYSA-N 1 2 345.874 3.524 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccc(C)cn1)Cc1ccccc1Cl ZINC000673127740 1129199069 /nfs/dbraw/zinc/19/90/69/1129199069.db2.gz RRRJAHKCTMYZEX-UHFFFAOYSA-N 1 2 345.874 3.524 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000347690554 1129199098 /nfs/dbraw/zinc/19/90/98/1129199098.db2.gz FGBIPHRFWIQXSQ-UHFFFAOYSA-N 1 2 327.409 3.584 20 0 EHADLO Brc1ccc(/C=C\C[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000453318275 1129199145 /nfs/dbraw/zinc/19/91/45/1129199145.db2.gz LHTHJPATHOETNM-MPNWYJEXSA-N 1 2 332.245 3.853 20 0 EHADLO Cc1cccn2cc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)nc12 ZINC000066696050 1129200290 /nfs/dbraw/zinc/20/02/90/1129200290.db2.gz MHOTXODGFLDGKZ-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1cccn2cc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)nc12 ZINC000066696050 1129200292 /nfs/dbraw/zinc/20/02/92/1129200292.db2.gz MHOTXODGFLDGKZ-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000347690937 1129203228 /nfs/dbraw/zinc/20/32/28/1129203228.db2.gz WMJAWRVANXJXTG-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1Cl ZINC000347695762 1129292525 /nfs/dbraw/zinc/29/25/25/1129292525.db2.gz HVSFBMJKLRFIFQ-UHFFFAOYSA-N 1 2 341.798 3.868 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265836097 1129322291 /nfs/dbraw/zinc/32/22/91/1129322291.db2.gz UKXAYWCXEXAHDY-QZTJIDSGSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCOc3ccccc3C2)c(C)c1 ZINC000080102892 1129325938 /nfs/dbraw/zinc/32/59/38/1129325938.db2.gz XKAWHULXICNSEH-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCOc3ccccc3C2)c(C)c1 ZINC000080102892 1129325942 /nfs/dbraw/zinc/32/59/42/1129325942.db2.gz XKAWHULXICNSEH-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000067969324 1129327848 /nfs/dbraw/zinc/32/78/48/1129327848.db2.gz IGUSPXIMPHPFQD-INIZCTEOSA-N 1 2 337.467 3.664 20 0 EHADLO CCCc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068196731 1129351260 /nfs/dbraw/zinc/35/12/60/1129351260.db2.gz OSTQIEUTFRUAIJ-UHFFFAOYSA-N 1 2 338.451 3.724 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2=S)c1 ZINC000735668668 1131372313 /nfs/dbraw/zinc/37/23/13/1131372313.db2.gz XPICAHUEKKBGRO-KGLIPLIRSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2=S)c1 ZINC000735668668 1131372320 /nfs/dbraw/zinc/37/23/20/1131372320.db2.gz XPICAHUEKKBGRO-KGLIPLIRSA-N 1 2 349.525 3.800 20 0 EHADLO CCCCS[C@@H](C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081317489 1129413074 /nfs/dbraw/zinc/41/30/74/1129413074.db2.gz CPUQWKMNDZRWIY-RDJZCZTQSA-N 1 2 345.512 3.742 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1F ZINC000466390096 1129416332 /nfs/dbraw/zinc/41/63/32/1129416332.db2.gz UFHSARBBIYKMRS-CYBMUJFWSA-N 1 2 333.712 3.720 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000117476860 1129445868 /nfs/dbraw/zinc/44/58/68/1129445868.db2.gz ZNFUOJOEYJZIPM-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@H+](C)CCC(=O)c1cccs1 ZINC001143143901 1129456516 /nfs/dbraw/zinc/45/65/16/1129456516.db2.gz BXRGJLAPXHPVAI-UHFFFAOYSA-N 1 2 333.453 3.779 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001143143901 1129456518 /nfs/dbraw/zinc/45/65/18/1129456518.db2.gz BXRGJLAPXHPVAI-UHFFFAOYSA-N 1 2 333.453 3.779 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]Cc3ccc(C(C)(C)C)o3)cs2)n1 ZINC000922318812 1129461258 /nfs/dbraw/zinc/46/12/58/1129461258.db2.gz RSGZHAQNLIXHHI-UHFFFAOYSA-N 1 2 330.457 3.724 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1nc(Br)c[nH]1 ZINC000922329487 1129470581 /nfs/dbraw/zinc/47/05/81/1129470581.db2.gz ULCYWGURGIRADB-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO c1ccc(N[C@H]2CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000158412097 1129515032 /nfs/dbraw/zinc/51/50/32/1129515032.db2.gz BQXAGUGQMDKUOR-KRWDZBQOSA-N 1 2 326.444 3.804 20 0 EHADLO c1ccc(N[C@H]2CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000158412097 1129515034 /nfs/dbraw/zinc/51/50/34/1129515034.db2.gz BQXAGUGQMDKUOR-KRWDZBQOSA-N 1 2 326.444 3.804 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCCC2(C)C)c1C ZINC000466531721 1129517664 /nfs/dbraw/zinc/51/76/64/1129517664.db2.gz ZFIPUUKDTVTILI-INIZCTEOSA-N 1 2 333.476 3.817 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521567 1129561533 /nfs/dbraw/zinc/56/15/33/1129561533.db2.gz VWBHIJRQXFEARK-HKUYNNGSSA-N 1 2 331.387 3.621 20 0 EHADLO Fc1cc(Br)cc(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000922576515 1129578333 /nfs/dbraw/zinc/57/83/33/1129578333.db2.gz BQRPJKOCEFSMTB-AWEZNQCLSA-N 1 2 336.208 3.619 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428957890 1129637881 /nfs/dbraw/zinc/63/78/81/1129637881.db2.gz RVEPJMNZQZWKFK-UHFFFAOYSA-N 1 2 347.894 3.602 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428957890 1129637883 /nfs/dbraw/zinc/63/78/83/1129637883.db2.gz RVEPJMNZQZWKFK-UHFFFAOYSA-N 1 2 347.894 3.602 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000509022905 1129662732 /nfs/dbraw/zinc/66/27/32/1129662732.db2.gz SNAHOZJXNWYUBN-MYSGNRETSA-N 1 2 346.452 3.981 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000509022905 1129662734 /nfs/dbraw/zinc/66/27/34/1129662734.db2.gz SNAHOZJXNWYUBN-MYSGNRETSA-N 1 2 346.452 3.981 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282390399 1129683211 /nfs/dbraw/zinc/68/32/11/1129683211.db2.gz GSMZXTOXJJUCSX-ZDUSSCGKSA-N 1 2 331.334 3.621 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282390399 1129683212 /nfs/dbraw/zinc/68/32/12/1129683212.db2.gz GSMZXTOXJJUCSX-ZDUSSCGKSA-N 1 2 331.334 3.621 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429014049 1129697194 /nfs/dbraw/zinc/69/71/94/1129697194.db2.gz XUEIWGZWSYKXFT-CQSZACIVSA-N 1 2 342.252 3.837 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429014049 1129697197 /nfs/dbraw/zinc/69/71/97/1129697197.db2.gz XUEIWGZWSYKXFT-CQSZACIVSA-N 1 2 342.252 3.837 20 0 EHADLO Cc1csc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)n1 ZINC000429022659 1129706709 /nfs/dbraw/zinc/70/67/09/1129706709.db2.gz CGNAQTOBESXBDZ-LBPRGKRZSA-N 1 2 339.867 3.955 20 0 EHADLO Cc1csc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)n1 ZINC000429022659 1129706711 /nfs/dbraw/zinc/70/67/11/1129706711.db2.gz CGNAQTOBESXBDZ-LBPRGKRZSA-N 1 2 339.867 3.955 20 0 EHADLO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2noc(C3CCC3)n2)c1 ZINC000625097327 1129729395 /nfs/dbraw/zinc/72/93/95/1129729395.db2.gz FVDKTHIYONCETR-INIZCTEOSA-N 1 2 327.428 3.553 20 0 EHADLO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2noc(C3CCC3)n2)c1 ZINC000625097327 1129729398 /nfs/dbraw/zinc/72/93/98/1129729398.db2.gz FVDKTHIYONCETR-INIZCTEOSA-N 1 2 327.428 3.553 20 0 EHADLO C[N@@H+](Cc1ccncc1Br)C[C@@H]1OCCc2ccccc21 ZINC000625129669 1129739810 /nfs/dbraw/zinc/73/98/10/1129739810.db2.gz NLSZOYUZEPOAIU-KRWDZBQOSA-N 1 2 347.256 3.590 20 0 EHADLO C[N@H+](Cc1ccncc1Br)C[C@@H]1OCCc2ccccc21 ZINC000625129669 1129739816 /nfs/dbraw/zinc/73/98/16/1129739816.db2.gz NLSZOYUZEPOAIU-KRWDZBQOSA-N 1 2 347.256 3.590 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282422739 1129777089 /nfs/dbraw/zinc/77/70/89/1129777089.db2.gz RHCGWTITYPTKDS-IAGOWNOFSA-N 1 2 346.377 3.610 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282422739 1129777091 /nfs/dbraw/zinc/77/70/91/1129777091.db2.gz RHCGWTITYPTKDS-IAGOWNOFSA-N 1 2 346.377 3.610 20 0 EHADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000014193724 1129783665 /nfs/dbraw/zinc/78/36/65/1129783665.db2.gz MYNOJLKDTMPZOB-SNVBAGLBSA-N 1 2 345.668 3.773 20 0 EHADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000014193724 1129783669 /nfs/dbraw/zinc/78/36/69/1129783669.db2.gz MYNOJLKDTMPZOB-SNVBAGLBSA-N 1 2 345.668 3.773 20 0 EHADLO CCCCc1ccc(NC(=S)NNc2cc(C)[nH+]c(C)n2)cc1 ZINC000735989403 1131399366 /nfs/dbraw/zinc/39/93/66/1131399366.db2.gz KGTDSTHVNJFQSZ-UHFFFAOYSA-N 1 2 329.473 3.750 20 0 EHADLO Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H](OC(F)F)C2)co1 ZINC000625311108 1129817389 /nfs/dbraw/zinc/81/73/89/1129817389.db2.gz OZZBYKBSBKOEDA-LBPRGKRZSA-N 1 2 326.318 3.684 20 0 EHADLO Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](OC(F)F)C2)co1 ZINC000625311108 1129817393 /nfs/dbraw/zinc/81/73/93/1129817393.db2.gz OZZBYKBSBKOEDA-LBPRGKRZSA-N 1 2 326.318 3.684 20 0 EHADLO C[C@@](O)(C1CC[NH+](Cc2cc(O)ccc2Cl)CC1)C(F)(F)F ZINC000625328468 1129828209 /nfs/dbraw/zinc/82/82/09/1129828209.db2.gz WJLKSTYHYXIOSU-CQSZACIVSA-N 1 2 337.769 3.571 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381657 1129851306 /nfs/dbraw/zinc/85/13/06/1129851306.db2.gz HNFKOTXETDOFBA-TVQRCGJNSA-N 1 2 328.309 3.762 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381657 1129851312 /nfs/dbraw/zinc/85/13/12/1129851312.db2.gz HNFKOTXETDOFBA-TVQRCGJNSA-N 1 2 328.309 3.762 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1Br ZINC000673896051 1129898565 /nfs/dbraw/zinc/89/85/65/1129898565.db2.gz VDOQZYXQAKHVSI-SNVBAGLBSA-N 1 2 340.290 3.822 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1nc(-c2ccncc2)cs1 ZINC000347833680 1129903342 /nfs/dbraw/zinc/90/33/42/1129903342.db2.gz DFKMYVUJMZPPKO-CYBMUJFWSA-N 1 2 349.463 3.943 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCc3ccccc32)cs1 ZINC000543505276 1129907177 /nfs/dbraw/zinc/90/71/77/1129907177.db2.gz OJJPUVWWOGUQRK-BBRMVZONSA-N 1 2 343.496 3.550 20 0 EHADLO C[C@H]1OCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H]1C ZINC000347855446 1129932009 /nfs/dbraw/zinc/93/20/09/1129932009.db2.gz APUANTYRMGDKFK-QWHCGFSZSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@H]1OCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H]1C ZINC000347855446 1129932012 /nfs/dbraw/zinc/93/20/12/1129932012.db2.gz APUANTYRMGDKFK-QWHCGFSZSA-N 1 2 339.361 3.500 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccnc(OC)c3)n2)cc1 ZINC000543549501 1129960488 /nfs/dbraw/zinc/96/04/88/1129960488.db2.gz RWHGJUGGIMFKJC-ZDUSSCGKSA-N 1 2 338.411 3.553 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429201954 1129966585 /nfs/dbraw/zinc/96/65/85/1129966585.db2.gz JXPHHCFYXDIMME-SFHVURJKSA-N 1 2 346.434 3.610 20 0 EHADLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032512350 1129993641 /nfs/dbraw/zinc/99/36/41/1129993641.db2.gz DDYZLJLMKNRNFH-UHFFFAOYSA-N 1 2 329.403 3.708 20 0 EHADLO C[N@H+](Cc1ccc2ccccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032512350 1129993643 /nfs/dbraw/zinc/99/36/43/1129993643.db2.gz DDYZLJLMKNRNFH-UHFFFAOYSA-N 1 2 329.403 3.708 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674088835 1130000978 /nfs/dbraw/zinc/00/09/78/1130000978.db2.gz HFYVTRUCUDMSOD-HNNXBMFYSA-N 1 2 347.846 3.803 20 0 EHADLO CC(C)c1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000171438338 1130058115 /nfs/dbraw/zinc/05/81/15/1130058115.db2.gz RJIWHEHBKZYFSH-UHFFFAOYSA-N 1 2 330.388 3.844 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000674361997 1130074139 /nfs/dbraw/zinc/07/41/39/1130074139.db2.gz CNJAGPLFGHEHAP-UHFFFAOYSA-N 1 2 331.847 3.710 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000674361997 1130074144 /nfs/dbraw/zinc/07/41/44/1130074144.db2.gz CNJAGPLFGHEHAP-UHFFFAOYSA-N 1 2 331.847 3.710 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364289 1130075164 /nfs/dbraw/zinc/07/51/64/1130075164.db2.gz FTWNCFFIWFPXMN-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364289 1130075171 /nfs/dbraw/zinc/07/51/71/1130075171.db2.gz FTWNCFFIWFPXMN-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172161612 1130111087 /nfs/dbraw/zinc/11/10/87/1130111087.db2.gz JKSSQDIXPLVEEB-UHFFFAOYSA-N 1 2 328.419 3.978 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172161612 1130111092 /nfs/dbraw/zinc/11/10/92/1130111092.db2.gz JKSSQDIXPLVEEB-UHFFFAOYSA-N 1 2 328.419 3.978 20 0 EHADLO O=C(NCc1ccccc1OC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172348701 1130125912 /nfs/dbraw/zinc/12/59/12/1130125912.db2.gz DODXSBLHBBVGMY-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO COc1cccc([C@@H]([NH2+]Cc2cnn(C)c2)c2ccccc2Cl)c1 ZINC000172837784 1130164191 /nfs/dbraw/zinc/16/41/91/1130164191.db2.gz OFXQFAVNJBJSTR-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000674760666 1130189584 /nfs/dbraw/zinc/18/95/84/1130189584.db2.gz PUMVGBNIVPNMGR-HNNXBMFYSA-N 1 2 339.439 3.530 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H](c2ccc(F)cc2)O1 ZINC000766073615 1130199471 /nfs/dbraw/zinc/19/94/71/1130199471.db2.gz CBJPKGVFFYLLSP-YVEFUNNKSA-N 1 2 343.427 3.792 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H](c2ccc(F)cc2)O1 ZINC000766073615 1130199474 /nfs/dbraw/zinc/19/94/74/1130199474.db2.gz CBJPKGVFFYLLSP-YVEFUNNKSA-N 1 2 343.427 3.792 20 0 EHADLO COc1ccc(-c2cc(C[N@H+](C)Cc3cc(Cl)cn3C)on2)cc1 ZINC000675125491 1130262993 /nfs/dbraw/zinc/26/29/93/1130262993.db2.gz LVNUBQSPOSZMHJ-UHFFFAOYSA-N 1 2 345.830 3.974 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+](C)Cc3cc(Cl)cn3C)on2)cc1 ZINC000675125491 1130262997 /nfs/dbraw/zinc/26/29/97/1130262997.db2.gz LVNUBQSPOSZMHJ-UHFFFAOYSA-N 1 2 345.830 3.974 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675190225 1130279466 /nfs/dbraw/zinc/27/94/66/1130279466.db2.gz ATIZVHLITMHQQN-XLIONFOSSA-N 1 2 340.471 3.536 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)c1F ZINC000658227852 1130287964 /nfs/dbraw/zinc/28/79/64/1130287964.db2.gz KYKKAFXNMQKSEL-LLVKDONJSA-N 1 2 340.345 3.990 20 0 EHADLO COc1ccc(COCC[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000675309490 1130310815 /nfs/dbraw/zinc/31/08/15/1130310815.db2.gz MMFWEDHHXKJOPQ-BEFAXECRSA-N 1 2 347.480 3.735 20 0 EHADLO COc1ccc(COCC[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000675309490 1130310822 /nfs/dbraw/zinc/31/08/22/1130310822.db2.gz MMFWEDHHXKJOPQ-BEFAXECRSA-N 1 2 347.480 3.735 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(Br)cc3)[nH+]c12 ZINC000041284171 1130330474 /nfs/dbraw/zinc/33/04/74/1130330474.db2.gz HNFCMXZTMOIHRG-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO O=C(CSc1nccc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000675795901 1130477228 /nfs/dbraw/zinc/47/72/28/1130477228.db2.gz OHTQTNRJRIZYTI-UHFFFAOYSA-N 1 2 334.404 3.613 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974968 1130513880 /nfs/dbraw/zinc/51/38/80/1130513880.db2.gz OSUVGUOWNJYDPH-AWEZNQCLSA-N 1 2 348.450 3.552 20 0 EHADLO CC(C)C(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000676241525 1130550085 /nfs/dbraw/zinc/55/00/85/1130550085.db2.gz QGQWAMPBAJNPOP-UHFFFAOYSA-N 1 2 338.521 3.931 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000706005335 1130551134 /nfs/dbraw/zinc/55/11/34/1130551134.db2.gz QRMBUXPCEAOGEG-IFXJQAMLSA-N 1 2 349.434 3.830 20 0 EHADLO c1ccc(-c2cncnc2NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000676304942 1130560390 /nfs/dbraw/zinc/56/03/90/1130560390.db2.gz FWHZGURHXQIPGG-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000727818304 1130600439 /nfs/dbraw/zinc/60/04/39/1130600439.db2.gz HVDKMNABEIPAJB-UHFFFAOYSA-N 1 2 348.512 3.871 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000727818304 1130600441 /nfs/dbraw/zinc/60/04/41/1130600441.db2.gz HVDKMNABEIPAJB-UHFFFAOYSA-N 1 2 348.512 3.871 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619664 1130626763 /nfs/dbraw/zinc/62/67/63/1130626763.db2.gz KGNNVDDVIURUMP-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619664 1130626766 /nfs/dbraw/zinc/62/67/66/1130626766.db2.gz KGNNVDDVIURUMP-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)n1C ZINC000729986142 1130662308 /nfs/dbraw/zinc/66/23/08/1130662308.db2.gz UPWXKRMORLSVRD-KRWDZBQOSA-N 1 2 344.528 3.987 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)n1C ZINC000729986142 1130662311 /nfs/dbraw/zinc/66/23/11/1130662311.db2.gz UPWXKRMORLSVRD-KRWDZBQOSA-N 1 2 344.528 3.987 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000730024428 1130664528 /nfs/dbraw/zinc/66/45/28/1130664528.db2.gz IHNFMXQITHJBFO-CQSZACIVSA-N 1 2 342.468 3.938 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1)Cn1c(-c2ccccn2)csc1=O ZINC000731661388 1130824161 /nfs/dbraw/zinc/82/41/61/1130824161.db2.gz LCLQXFWVCXFCLP-UHFFFAOYSA-N 1 2 339.464 3.760 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1)Cn1c(-c2ccccn2)csc1=O ZINC000731661388 1130824167 /nfs/dbraw/zinc/82/41/67/1130824167.db2.gz LCLQXFWVCXFCLP-UHFFFAOYSA-N 1 2 339.464 3.760 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000732979346 1130977152 /nfs/dbraw/zinc/97/71/52/1130977152.db2.gz NDVFGQGMTXHWQJ-OAHLLOKOSA-N 1 2 333.505 3.851 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000732979346 1130977158 /nfs/dbraw/zinc/97/71/58/1130977158.db2.gz NDVFGQGMTXHWQJ-OAHLLOKOSA-N 1 2 333.505 3.851 20 0 EHADLO C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176523259 1130982720 /nfs/dbraw/zinc/98/27/20/1130982720.db2.gz KHASKVOMXWYAST-RHSMWYFYSA-N 1 2 326.444 3.811 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000733309178 1131021143 /nfs/dbraw/zinc/02/11/43/1131021143.db2.gz DIQRBCADZMXFSJ-UHFFFAOYSA-N 1 2 329.444 3.522 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000733309178 1131021147 /nfs/dbraw/zinc/02/11/47/1131021147.db2.gz DIQRBCADZMXFSJ-UHFFFAOYSA-N 1 2 329.444 3.522 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cn2nnn(C(C)(C)C)c2=S)cc1 ZINC000733298153 1131023013 /nfs/dbraw/zinc/02/30/13/1131023013.db2.gz BAOOIAUWXKTRPP-INIZCTEOSA-N 1 2 345.516 3.537 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2nnn(C(C)(C)C)c2=S)cc1 ZINC000733298153 1131023019 /nfs/dbraw/zinc/02/30/19/1131023019.db2.gz BAOOIAUWXKTRPP-INIZCTEOSA-N 1 2 345.516 3.537 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cnn1C ZINC000348010443 1131126476 /nfs/dbraw/zinc/12/64/76/1131126476.db2.gz RUCVJJRSCQTIIK-QWRGUYRKSA-N 1 2 345.834 3.844 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000348053056 1131129648 /nfs/dbraw/zinc/12/96/48/1131129648.db2.gz HMIMXPMCJNSYRC-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000348053056 1131129652 /nfs/dbraw/zinc/12/96/52/1131129652.db2.gz HMIMXPMCJNSYRC-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000626093449 1131153182 /nfs/dbraw/zinc/15/31/82/1131153182.db2.gz BEYINWHDFPCUGI-BEFAXECRSA-N 1 2 329.488 3.899 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000736379465 1131419774 /nfs/dbraw/zinc/41/97/74/1131419774.db2.gz HGLFCEVJIJQOFF-OAHLLOKOSA-N 1 2 328.460 3.886 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597626 1131427823 /nfs/dbraw/zinc/42/78/23/1131427823.db2.gz ZTUFDHICSRIRIW-TZMCWYRMSA-N 1 2 349.479 3.539 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597626 1131427827 /nfs/dbraw/zinc/42/78/27/1131427827.db2.gz ZTUFDHICSRIRIW-TZMCWYRMSA-N 1 2 349.479 3.539 20 0 EHADLO Cc1nn(C[N@@H+](C)CC(C)(C)C)c(=S)n1CCc1cccs1 ZINC000738099611 1131461095 /nfs/dbraw/zinc/46/10/95/1131461095.db2.gz PKACTCNAYKPVDZ-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO Cc1nn(C[N@H+](C)CC(C)(C)C)c(=S)n1CCc1cccs1 ZINC000738099611 1131461099 /nfs/dbraw/zinc/46/10/99/1131461099.db2.gz PKACTCNAYKPVDZ-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059843 1131462257 /nfs/dbraw/zinc/46/22/57/1131462257.db2.gz ZCQSOBKCSHJNHG-ZBFHGGJFSA-N 1 2 331.489 3.656 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059843 1131462261 /nfs/dbraw/zinc/46/22/61/1131462261.db2.gz ZCQSOBKCSHJNHG-ZBFHGGJFSA-N 1 2 331.489 3.656 20 0 EHADLO CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738950039 1131490837 /nfs/dbraw/zinc/49/08/37/1131490837.db2.gz QESGPGGPSCSNIC-GOSISDBHSA-N 1 2 349.438 3.769 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000740448931 1131529734 /nfs/dbraw/zinc/52/97/34/1131529734.db2.gz HWMVKEXCVPKTBQ-HNNXBMFYSA-N 1 2 344.459 3.766 20 0 EHADLO C[C@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000740727368 1131538596 /nfs/dbraw/zinc/53/85/96/1131538596.db2.gz NDQMAWDVRSOURE-OJXHRBAXSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860385 1131549263 /nfs/dbraw/zinc/54/92/63/1131549263.db2.gz PTCSDKDVZXNFTK-CABCVRRESA-N 1 2 334.419 3.571 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860385 1131549265 /nfs/dbraw/zinc/54/92/65/1131549265.db2.gz PTCSDKDVZXNFTK-CABCVRRESA-N 1 2 334.419 3.571 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)cc1 ZINC000740860477 1131549829 /nfs/dbraw/zinc/54/98/29/1131549829.db2.gz FFSHPLJSBMVIDD-ZIAGYGMSSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)cc1 ZINC000740860477 1131549831 /nfs/dbraw/zinc/54/98/31/1131549831.db2.gz FFSHPLJSBMVIDD-ZIAGYGMSSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860913 1131553944 /nfs/dbraw/zinc/55/39/44/1131553944.db2.gz SIPWMRHRDZRWBK-KBPBESRZSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860913 1131553949 /nfs/dbraw/zinc/55/39/49/1131553949.db2.gz SIPWMRHRDZRWBK-KBPBESRZSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cc(C)c(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC000741027701 1131571513 /nfs/dbraw/zinc/57/15/13/1131571513.db2.gz BLCIKLJKSUOTMS-KRWDZBQOSA-N 1 2 331.456 3.602 20 0 EHADLO Brc1ccoc1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000741259419 1131591055 /nfs/dbraw/zinc/59/10/55/1131591055.db2.gz YLHPJPWWQBESLN-HNNXBMFYSA-N 1 2 346.228 3.770 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CCCCCCC1 ZINC000741545570 1131620694 /nfs/dbraw/zinc/62/06/94/1131620694.db2.gz BHNKAIGNQLWRDL-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000741786371 1131647848 /nfs/dbraw/zinc/64/78/48/1131647848.db2.gz WRVUHYLPOMYDTF-AQFXKWCLSA-N 1 2 325.493 3.778 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCC(C)(C)C)CC2)cc1 ZINC000741983523 1131678328 /nfs/dbraw/zinc/67/83/28/1131678328.db2.gz MTHOHZPJUOVSNP-UHFFFAOYSA-N 1 2 331.504 3.664 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742196372 1131695861 /nfs/dbraw/zinc/69/58/61/1131695861.db2.gz LSLYLJCDOUDEOQ-AWEZNQCLSA-N 1 2 344.480 3.590 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742196372 1131695862 /nfs/dbraw/zinc/69/58/62/1131695862.db2.gz LSLYLJCDOUDEOQ-AWEZNQCLSA-N 1 2 344.480 3.590 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1ccccc1OCC(F)(F)F ZINC000742463411 1131732666 /nfs/dbraw/zinc/73/26/66/1131732666.db2.gz YDVCLMWGZPOOJE-UHFFFAOYSA-N 1 2 338.329 3.869 20 0 EHADLO Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c2ccsc2n1 ZINC001212667363 1131754254 /nfs/dbraw/zinc/75/42/54/1131754254.db2.gz OIUYEXDBCBMMEV-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4ccc(Cl)cc4n3)cc2)C1 ZINC001212664268 1131755407 /nfs/dbraw/zinc/75/54/07/1131755407.db2.gz FMHVYKSMODIFNG-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO O=C(/C=C/C1CC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660592 1131766204 /nfs/dbraw/zinc/76/62/04/1131766204.db2.gz ZSVQCOGQVUDLQB-CDVVCGDMSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(/C=C/C1CC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660592 1131766206 /nfs/dbraw/zinc/76/62/06/1131766206.db2.gz ZSVQCOGQVUDLQB-CDVVCGDMSA-N 1 2 336.838 3.526 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(-c4cccnc4)c3)cc2)C1 ZINC001212668310 1131785006 /nfs/dbraw/zinc/78/50/06/1131785006.db2.gz SQTVUXKVNWZZKI-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(Cl)c4ncccc4c3)cc2)C1 ZINC001212672506 1131790363 /nfs/dbraw/zinc/79/03/63/1131790363.db2.gz PNTDPKGEIFMRIY-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H]2CCc3ccc(C)cc3C2)Cc2ccccc2C1 ZINC001172844693 1131866351 /nfs/dbraw/zinc/86/63/51/1131866351.db2.gz YELRITXPLSDKRQ-OAQYLSRUSA-N 1 2 349.474 3.543 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172856724 1131873955 /nfs/dbraw/zinc/87/39/55/1131873955.db2.gz NNNXTFVARHMWPA-IAQYHMDHSA-N 1 2 347.883 3.685 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743354761 1131899915 /nfs/dbraw/zinc/89/99/15/1131899915.db2.gz UDVBRMMEWXBRPT-CQSZACIVSA-N 1 2 330.428 3.513 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743354761 1131899922 /nfs/dbraw/zinc/89/99/22/1131899922.db2.gz UDVBRMMEWXBRPT-CQSZACIVSA-N 1 2 330.428 3.513 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372446 1131904455 /nfs/dbraw/zinc/90/44/55/1131904455.db2.gz GKTLBIKWOKNXDT-SUMWQHHRSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372446 1131904462 /nfs/dbraw/zinc/90/44/62/1131904462.db2.gz GKTLBIKWOKNXDT-SUMWQHHRSA-N 1 2 346.471 3.968 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(-c2ccccn2)n1 ZINC001212693059 1131905685 /nfs/dbraw/zinc/90/56/85/1131905685.db2.gz ABPZXNVLJOPOJX-UHFFFAOYSA-N 1 2 330.395 3.564 20 0 EHADLO Cc1cnn(Cc2cccnc2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693351 1131906509 /nfs/dbraw/zinc/90/65/09/1131906509.db2.gz QSLDJILDRNHFDZ-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743386687 1131906940 /nfs/dbraw/zinc/90/69/40/1131906940.db2.gz SGGKCTLIILZTBE-FQEVSTJZSA-N 1 2 344.455 3.903 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743386687 1131906944 /nfs/dbraw/zinc/90/69/44/1131906944.db2.gz SGGKCTLIILZTBE-FQEVSTJZSA-N 1 2 344.455 3.903 20 0 EHADLO Cc1ccc(CC[N@@H+](Cc2ccco2)CN2C(=O)CC23CCC3)cc1 ZINC000743385871 1131907443 /nfs/dbraw/zinc/90/74/43/1131907443.db2.gz UUNXTYPVCIEWBQ-UHFFFAOYSA-N 1 2 338.451 3.745 20 0 EHADLO Cc1ccc(CC[N@H+](Cc2ccco2)CN2C(=O)CC23CCC3)cc1 ZINC000743385871 1131907447 /nfs/dbraw/zinc/90/74/47/1131907447.db2.gz UUNXTYPVCIEWBQ-UHFFFAOYSA-N 1 2 338.451 3.745 20 0 EHADLO Oc1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Br)c1 ZINC001212695008 1131924694 /nfs/dbraw/zinc/92/46/94/1131924694.db2.gz JBAFJZSGEQXSFZ-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(C)c(C)s1)O[C@@H](C)C2 ZINC000743499136 1131929692 /nfs/dbraw/zinc/92/96/92/1131929692.db2.gz STRNWSLYAOQJBY-NSHDSACASA-N 1 2 332.469 3.772 20 0 EHADLO CCCCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743519423 1131935142 /nfs/dbraw/zinc/93/51/42/1131935142.db2.gz COTTYODBICTFCQ-QGZVFWFLSA-N 1 2 328.460 3.583 20 0 EHADLO CCCC[C@@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173077369 1131958042 /nfs/dbraw/zinc/95/80/42/1131958042.db2.gz FJAVPOFVHSHCOD-IUODEOHRSA-N 1 2 347.377 3.838 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000181064360 1131958653 /nfs/dbraw/zinc/95/86/53/1131958653.db2.gz YPZKLSWSSVGFSM-JTQLQIEISA-N 1 2 328.243 3.892 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)c2ccccc2C)cs1 ZINC000743856498 1131987441 /nfs/dbraw/zinc/98/74/41/1131987441.db2.gz DDCHIYGVVWTHKQ-WMLDXEAASA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)c2ccccc2C)cs1 ZINC000743856498 1131987449 /nfs/dbraw/zinc/98/74/49/1131987449.db2.gz DDCHIYGVVWTHKQ-WMLDXEAASA-N 1 2 334.485 3.714 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000743862351 1131988006 /nfs/dbraw/zinc/98/80/06/1131988006.db2.gz LOJNXNMDQRKEAC-LBPRGKRZSA-N 1 2 329.400 3.569 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)c2cccc(F)c2)cs1 ZINC000743858285 1131988651 /nfs/dbraw/zinc/98/86/51/1131988651.db2.gz WKOSMEKMJITYCY-BLLLJJGKSA-N 1 2 338.448 3.545 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)c2cccc(F)c2)cs1 ZINC000743858285 1131988659 /nfs/dbraw/zinc/98/86/59/1131988659.db2.gz WKOSMEKMJITYCY-BLLLJJGKSA-N 1 2 338.448 3.545 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc3c2CCCC3)c1C ZINC000065365068 1131999437 /nfs/dbraw/zinc/99/94/37/1131999437.db2.gz VIBOSDVGPPWFIE-UHFFFAOYSA-N 1 2 339.439 3.908 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286136 1132044355 /nfs/dbraw/zinc/04/43/55/1132044355.db2.gz DZXVSRUHEMZPTL-MGPQQGTHSA-N 1 2 332.435 3.799 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286136 1132044360 /nfs/dbraw/zinc/04/43/60/1132044360.db2.gz DZXVSRUHEMZPTL-MGPQQGTHSA-N 1 2 332.435 3.799 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC[N@@H+]1C ZINC000742193301 1132093332 /nfs/dbraw/zinc/09/33/32/1132093332.db2.gz AQSCIPJCRHUANV-DZGCQCFKSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC[N@H+]1C ZINC000742193301 1132093340 /nfs/dbraw/zinc/09/33/40/1132093340.db2.gz AQSCIPJCRHUANV-DZGCQCFKSA-N 1 2 334.529 3.675 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443714 1132100970 /nfs/dbraw/zinc/10/09/70/1132100970.db2.gz NFJCJWMKOXNQOU-AAEUAGOBSA-N 1 2 337.880 3.530 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443714 1132100976 /nfs/dbraw/zinc/10/09/76/1132100976.db2.gz NFJCJWMKOXNQOU-AAEUAGOBSA-N 1 2 337.880 3.530 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@H](C)c3ccccc32)c1C ZINC000065388412 1132118348 /nfs/dbraw/zinc/11/83/48/1132118348.db2.gz RLRODNJTEIRLKX-ZDUSSCGKSA-N 1 2 325.412 3.540 20 0 EHADLO COc1ccc(C(C)C)cc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001173917324 1132173986 /nfs/dbraw/zinc/17/39/86/1132173986.db2.gz IXFQUDKKLHJBTO-UHFFFAOYSA-N 1 2 341.455 3.918 20 0 EHADLO COc1ccc(F)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001173955469 1132182324 /nfs/dbraw/zinc/18/23/24/1132182324.db2.gz ZDHWYTUDBYTPEA-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086179 1132190790 /nfs/dbraw/zinc/19/07/90/1132190790.db2.gz KPNIUFYYIYMFCT-GDBMZVCRSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086179 1132190794 /nfs/dbraw/zinc/19/07/94/1132190794.db2.gz KPNIUFYYIYMFCT-GDBMZVCRSA-N 1 2 328.412 3.820 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(OC)c3F)c2c1 ZINC001173972103 1132203956 /nfs/dbraw/zinc/20/39/56/1132203956.db2.gz HFTAYPUAFPHTAV-UHFFFAOYSA-N 1 2 340.354 3.725 20 0 EHADLO COc1cc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)ccn1 ZINC001174305073 1132310992 /nfs/dbraw/zinc/31/09/92/1132310992.db2.gz CFKIGDDKOFRSQD-UHFFFAOYSA-N 1 2 347.216 3.861 20 0 EHADLO COc1ccc2nccc(Nc3ccc4c(c3)[nH+]cn4C(C)C)c2n1 ZINC001174382381 1132345162 /nfs/dbraw/zinc/34/51/62/1132345162.db2.gz NGXPTMQHRRMCEG-UHFFFAOYSA-N 1 2 333.395 3.735 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1ccc(C(F)(F)F)n1 ZINC000746051205 1132353544 /nfs/dbraw/zinc/35/35/44/1132353544.db2.gz GJLUHPQCTXZERW-UHFFFAOYSA-N 1 2 341.377 3.625 20 0 EHADLO COCC[N@H+](Cc1ccc(C)cc1C)Cn1ccc(C(F)(F)F)n1 ZINC000746051205 1132353552 /nfs/dbraw/zinc/35/35/52/1132353552.db2.gz GJLUHPQCTXZERW-UHFFFAOYSA-N 1 2 341.377 3.625 20 0 EHADLO CC(C)CCn1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cn1 ZINC001174415839 1132368139 /nfs/dbraw/zinc/36/81/39/1132368139.db2.gz ZIBJRJGCKGDCMJ-IYBDPMFKSA-N 1 2 343.475 3.681 20 0 EHADLO CC(=O)Oc1ccc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174525394 1132383121 /nfs/dbraw/zinc/38/31/21/1132383121.db2.gz WQPLCDVMUJRWAY-UHFFFAOYSA-N 1 2 329.375 3.880 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001174516257 1132396315 /nfs/dbraw/zinc/39/63/15/1132396315.db2.gz LBICEMHTQCPBDF-UHFFFAOYSA-N 1 2 339.443 3.957 20 0 EHADLO c1c(C2CC2)nn2cc(Nc3ccc(N4CCCCC4)[nH+]c3)cnc12 ZINC001174521735 1132398898 /nfs/dbraw/zinc/39/88/98/1132398898.db2.gz DCRMLNMHJPNRNV-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO c1ccc(C2OCCO2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524640 1132401630 /nfs/dbraw/zinc/40/16/30/1132401630.db2.gz MCUDHXVTNWHNHB-UHFFFAOYSA-N 1 2 325.412 3.861 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001174573134 1132402745 /nfs/dbraw/zinc/40/27/45/1132402745.db2.gz DLHXRHZAHNSDEI-JYJNAYRXSA-N 1 2 325.493 3.680 20 0 EHADLO Brc1cccc2c1CN(Cc1cccc3[nH+]ccn31)C2 ZINC000186584146 1132423650 /nfs/dbraw/zinc/42/36/50/1132423650.db2.gz ZVGIRRPNZFVOHC-UHFFFAOYSA-N 1 2 328.213 3.613 20 0 EHADLO Cc1cccc(Oc2ncccc2NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000188702002 1132438173 /nfs/dbraw/zinc/43/81/73/1132438173.db2.gz DKDOCBFSVSBSNV-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO Cc1cccc(Oc2ncccc2NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000188702002 1132438178 /nfs/dbraw/zinc/43/81/78/1132438178.db2.gz DKDOCBFSVSBSNV-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO Cc1cnc(NC2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000191030720 1132459298 /nfs/dbraw/zinc/45/92/98/1132459298.db2.gz HSDIXWQVMSSGLD-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc3cccnc31)CCO2 ZINC001174806166 1132478090 /nfs/dbraw/zinc/47/80/90/1132478090.db2.gz AATJKHXLNAXBBW-UHFFFAOYSA-N 1 2 340.810 3.988 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc3cccnc31)CCO2 ZINC001174806166 1132478097 /nfs/dbraw/zinc/47/80/97/1132478097.db2.gz AATJKHXLNAXBBW-UHFFFAOYSA-N 1 2 340.810 3.988 20 0 EHADLO c1ccc(Oc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cn2)cc1 ZINC001174973212 1132510097 /nfs/dbraw/zinc/51/00/97/1132510097.db2.gz HOYZAUGJZSALCO-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO Cc1ccc(OCCNc2[nH+]cnc3c2cnn3C(C)(C)C)c(C)c1 ZINC000766386352 1132524756 /nfs/dbraw/zinc/52/47/56/1132524756.db2.gz FDKHWEQMSNQYRC-UHFFFAOYSA-N 1 2 339.443 3.689 20 0 EHADLO CC(C)n1cc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cn1 ZINC000766407985 1132531380 /nfs/dbraw/zinc/53/13/80/1132531380.db2.gz YWMODVNUTASMCZ-GFCCVEGCSA-N 1 2 327.436 3.532 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1COc2c1cccc2Cl ZINC000766426485 1132537760 /nfs/dbraw/zinc/53/77/60/1132537760.db2.gz FQCHCSQFMMOPGY-CYBMUJFWSA-N 1 2 343.818 3.780 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000766430924 1132542578 /nfs/dbraw/zinc/54/25/78/1132542578.db2.gz QVNCETLNUAMZCJ-OCCSQVGLSA-N 1 2 331.464 3.587 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1C ZINC001175171592 1132587932 /nfs/dbraw/zinc/58/79/32/1132587932.db2.gz YXGJWWKRKSKSEZ-UHFFFAOYSA-N 1 2 326.440 3.970 20 0 EHADLO CCOC(=O)C[N@H+](CC[C@@H](O)c1ccccc1)[C@H](C)c1ccccc1 ZINC001168894168 1132590075 /nfs/dbraw/zinc/59/00/75/1132590075.db2.gz PFESULNNZMHOMY-YLJYHZDGSA-N 1 2 341.451 3.736 20 0 EHADLO CCOC(=O)C[N@@H+](CC[C@@H](O)c1ccccc1)[C@H](C)c1ccccc1 ZINC001168894168 1132590080 /nfs/dbraw/zinc/59/00/80/1132590080.db2.gz PFESULNNZMHOMY-YLJYHZDGSA-N 1 2 341.451 3.736 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932172 1132606869 /nfs/dbraw/zinc/60/68/69/1132606869.db2.gz JZFBRBLQAXTCCO-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932172 1132606875 /nfs/dbraw/zinc/60/68/75/1132606875.db2.gz JZFBRBLQAXTCCO-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301174 1132608921 /nfs/dbraw/zinc/60/89/21/1132608921.db2.gz NXWYQSGRDXRAAN-GXFFZTMASA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301174 1132608923 /nfs/dbraw/zinc/60/89/23/1132608923.db2.gz NXWYQSGRDXRAAN-GXFFZTMASA-N 1 2 328.243 3.640 20 0 EHADLO CCOc1cc(F)ccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001175287107 1132613342 /nfs/dbraw/zinc/61/33/42/1132613342.db2.gz LKSVVJXWNBVVMH-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO CCCCCOc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001175294032 1132616723 /nfs/dbraw/zinc/61/67/23/1132616723.db2.gz LXALEGLCNRGEIQ-SFHVURJKSA-N 1 2 341.455 3.965 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)c[nH+]1 ZINC001175342781 1132627174 /nfs/dbraw/zinc/62/71/74/1132627174.db2.gz WUETYRUYCTXLRZ-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO CCc1nc(Cl)c(NCCc2cn3ccccc3[nH+]2)nc1CC ZINC001169005071 1132630483 /nfs/dbraw/zinc/63/04/83/1132630483.db2.gz QOHOLCAFARHNFV-UHFFFAOYSA-N 1 2 329.835 3.557 20 0 EHADLO CC(C)(C)[C@@H]1CCc2nnc(NCCc3cn4ccccc4[nH+]3)cc2C1 ZINC001169004510 1132630505 /nfs/dbraw/zinc/63/05/05/1132630505.db2.gz IIEBRPXPJYZGFW-MRXNPFEDSA-N 1 2 349.482 3.930 20 0 EHADLO COC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)cc(C(C)C)c1 ZINC001169008400 1132630644 /nfs/dbraw/zinc/63/06/44/1132630644.db2.gz BZPZGCNTVICHJC-UHFFFAOYSA-N 1 2 337.423 3.899 20 0 EHADLO CNc1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)c[nH+]1 ZINC001169034408 1132636910 /nfs/dbraw/zinc/63/69/10/1132636910.db2.gz OVPFHCCAUNLWQQ-UHFFFAOYSA-N 1 2 335.333 3.641 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC001175351105 1132645629 /nfs/dbraw/zinc/64/56/29/1132645629.db2.gz MMZIVWKEOMBWHY-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO Brc1cc(Nc2cnc3cccnc3c2)cn2cc[nH+]c12 ZINC001175358874 1132649218 /nfs/dbraw/zinc/64/92/18/1132649218.db2.gz LURFZKACISZRMU-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO Cc1nc(Nc2ccc3ncccc3c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001175373486 1132652949 /nfs/dbraw/zinc/65/29/49/1132652949.db2.gz ZJEFCIHMOBPINX-ZIAGYGMSSA-N 1 2 349.438 3.690 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001205999145 1132656149 /nfs/dbraw/zinc/65/61/49/1132656149.db2.gz NPLYUIJDTJFHPA-DGCLKSJQSA-N 1 2 325.733 3.614 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001205999145 1132656154 /nfs/dbraw/zinc/65/61/54/1132656154.db2.gz NPLYUIJDTJFHPA-DGCLKSJQSA-N 1 2 325.733 3.614 20 0 EHADLO COc1ccc2cc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc2c1 ZINC000804307744 1132659509 /nfs/dbraw/zinc/65/95/09/1132659509.db2.gz IYDNEIWXSZUXDC-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001169216677 1132697280 /nfs/dbraw/zinc/69/72/80/1132697280.db2.gz KHKWLQPMOCIZHN-HUUCEWRRSA-N 1 2 342.870 3.964 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001169216677 1132697285 /nfs/dbraw/zinc/69/72/85/1132697285.db2.gz KHKWLQPMOCIZHN-HUUCEWRRSA-N 1 2 342.870 3.964 20 0 EHADLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(OC)n1 ZINC001175582382 1132704344 /nfs/dbraw/zinc/70/43/44/1132704344.db2.gz OYTXXNPXSMZCOZ-UHFFFAOYSA-N 1 2 346.387 3.584 20 0 EHADLO CCc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001175553634 1132709850 /nfs/dbraw/zinc/70/98/50/1132709850.db2.gz RHQFFBSPFCAEEZ-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cnc1OC(C)C ZINC001175712439 1132740644 /nfs/dbraw/zinc/74/06/44/1132740644.db2.gz LAIHKFFLHUJCNP-UHFFFAOYSA-N 1 2 326.322 3.917 20 0 EHADLO COc1nc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc2ccccc21 ZINC001175712994 1132740774 /nfs/dbraw/zinc/74/07/74/1132740774.db2.gz WXSAJSDEAWCLSB-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO COc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(OC)c1F ZINC001175716757 1132742774 /nfs/dbraw/zinc/74/27/74/1132742774.db2.gz XXQUKAUCRBDJQC-UHFFFAOYSA-N 1 2 331.269 3.583 20 0 EHADLO COc1cc2cccnc2c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717725 1132742957 /nfs/dbraw/zinc/74/29/57/1132742957.db2.gz NJVHVPSCGHCWFU-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000804322994 1132748015 /nfs/dbraw/zinc/74/80/15/1132748015.db2.gz CGJDTFYEFXMVEF-WBVHZDCISA-N 1 2 349.434 3.956 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001175750294 1132752619 /nfs/dbraw/zinc/75/26/19/1132752619.db2.gz SYEGQQKWYUQSJI-PBHICJAKSA-N 1 2 343.389 3.715 20 0 EHADLO COc1cccc2ncc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc21 ZINC001175711252 1132755748 /nfs/dbraw/zinc/75/57/48/1132755748.db2.gz TZOPQDBMRREYDD-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO CC(=O)c1oc2cccnc2c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175711134 1132755952 /nfs/dbraw/zinc/75/59/52/1132755952.db2.gz PZPPDZNBHUERRO-UHFFFAOYSA-N 1 2 336.273 3.770 20 0 EHADLO COCCOc1ccc(Nc2cc(OC)c(C(F)(F)F)c[nH+]2)cc1 ZINC001175785272 1132767602 /nfs/dbraw/zinc/76/76/02/1132767602.db2.gz NQYXQBQYVGBQCU-UHFFFAOYSA-N 1 2 342.317 3.878 20 0 EHADLO O[C@H]1c2ccccc2CC[C@H]1Nc1cccc(Cc2ccncc2)[nH+]1 ZINC001169629447 1132801550 /nfs/dbraw/zinc/80/15/50/1132801550.db2.gz WPLRHWAYUZRTTM-CTNGQTDRSA-N 1 2 331.419 3.528 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2O)o1 ZINC001175991281 1132808634 /nfs/dbraw/zinc/80/86/34/1132808634.db2.gz DHQDQZWWCDWIAI-GFCCVEGCSA-N 1 2 327.359 3.741 20 0 EHADLO CN(C)C(=O)c1ccc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001176044460 1132812495 /nfs/dbraw/zinc/81/24/95/1132812495.db2.gz ZZIKLKJAGZJEGT-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO c1cn(Cc2cccc(Nc3cccc(N4CCOCC4)c3)c2)c[nH+]1 ZINC001176017679 1132821405 /nfs/dbraw/zinc/82/14/05/1132821405.db2.gz OQVGMDXJBSIURD-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO Cc1ccc(Nc2ccccc2S(=O)(=O)N2CCCCC2)c(C)[nH+]1 ZINC001176024762 1132823505 /nfs/dbraw/zinc/82/35/05/1132823505.db2.gz YWOOUCBQIDFEIX-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO CCC(CC)(C(=O)NOC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000773551040 1132856916 /nfs/dbraw/zinc/85/69/16/1132856916.db2.gz IUKXUWSVPXBRGJ-UHFFFAOYSA-N 1 2 338.879 3.540 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001176295510 1132893166 /nfs/dbraw/zinc/89/31/66/1132893166.db2.gz OOCOKAPAALVEPZ-UHFFFAOYSA-N 1 2 330.407 3.512 20 0 EHADLO Fc1cc(CN2CCOCC2)ccc1Nc1cccc2cc[nH+]cc21 ZINC001176489556 1132946605 /nfs/dbraw/zinc/94/66/05/1132946605.db2.gz IVXFVSPFRXBZST-UHFFFAOYSA-N 1 2 337.398 3.950 20 0 EHADLO CN(C)c1ccc(Nc2cc(C(=O)N3CCCCC3)ccc2F)c[nH+]1 ZINC001176684561 1132983048 /nfs/dbraw/zinc/98/30/48/1132983048.db2.gz YWLRYLRRCACCRN-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO CC(C)N(CCC(=O)c1ccc2ccccc2c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830975 1133003854 /nfs/dbraw/zinc/00/38/54/1133003854.db2.gz IMWSNSVIRTWHRY-UHFFFAOYSA-N 1 2 349.434 3.615 20 0 EHADLO CN(C)c1cc(COC(=O)c2ccc(F)cc2C(F)(F)F)cc[nH+]1 ZINC000767580261 1133018002 /nfs/dbraw/zinc/01/80/02/1133018002.db2.gz ZRSNZYOKMATTPS-UHFFFAOYSA-N 1 2 342.292 3.663 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCC[C@H]1CCC1CCCCC1)CCCC2 ZINC000767762182 1133048323 /nfs/dbraw/zinc/04/83/23/1133048323.db2.gz UFEUZZPOZUEXRP-IBGZPJMESA-N 1 2 343.515 3.905 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCC[C@H]1CCC1CCCCC1)CCCC2 ZINC000767762182 1133048330 /nfs/dbraw/zinc/04/83/30/1133048330.db2.gz UFEUZZPOZUEXRP-IBGZPJMESA-N 1 2 343.515 3.905 20 0 EHADLO CCCCC[C@@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001169975568 1133054998 /nfs/dbraw/zinc/05/49/98/1133054998.db2.gz PUDHJQYAWZGCPD-APWZRJJASA-N 1 2 332.488 3.775 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC001177411474 1133063351 /nfs/dbraw/zinc/06/33/51/1133063351.db2.gz BZZHVFZPBXIAIO-UHFFFAOYSA-N 1 2 348.450 3.754 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1F ZINC000767915494 1133067459 /nfs/dbraw/zinc/06/74/59/1133067459.db2.gz DQQXJKIFNVYNSX-UHFFFAOYSA-N 1 2 335.354 3.912 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616546 1133087545 /nfs/dbraw/zinc/08/75/45/1133087545.db2.gz RSHRHDDCUDHHGN-LJQANCHMSA-N 1 2 347.418 3.945 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616546 1133087553 /nfs/dbraw/zinc/08/75/53/1133087553.db2.gz RSHRHDDCUDHHGN-LJQANCHMSA-N 1 2 347.418 3.945 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1-n1cccc1 ZINC000768143463 1133097074 /nfs/dbraw/zinc/09/70/74/1133097074.db2.gz ZQPITBVMKULFPI-GOSISDBHSA-N 1 2 348.450 3.539 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000768159861 1133102288 /nfs/dbraw/zinc/10/22/88/1133102288.db2.gz KOWYJYRWLLLKNB-CZUORRHYSA-N 1 2 343.858 3.510 20 0 EHADLO Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926903 1133111995 /nfs/dbraw/zinc/11/19/95/1133111995.db2.gz QJLCUUJFCHHOSQ-OAHLLOKOSA-N 1 2 348.406 3.644 20 0 EHADLO CCc1nc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC001177920382 1133113894 /nfs/dbraw/zinc/11/38/94/1133113894.db2.gz SXLKZSIGNXNSFR-AWEZNQCLSA-N 1 2 349.887 3.644 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000768248903 1133117447 /nfs/dbraw/zinc/11/74/47/1133117447.db2.gz JOBOXEPJCVVBPM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000768248903 1133117449 /nfs/dbraw/zinc/11/74/49/1133117449.db2.gz JOBOXEPJCVVBPM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO Fc1ccc(OC[C@H]2CCCO2)c(NCc2cccc3[nH+]ccn32)c1 ZINC001178007474 1133123763 /nfs/dbraw/zinc/12/37/63/1133123763.db2.gz VBDUSOPTNBQGHV-MRXNPFEDSA-N 1 2 341.386 3.643 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cnc1Cl ZINC000768352646 1133128396 /nfs/dbraw/zinc/12/83/96/1133128396.db2.gz QJULHMMXLFIOAH-CQSZACIVSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cnc1Cl ZINC000768352646 1133128399 /nfs/dbraw/zinc/12/83/99/1133128399.db2.gz QJULHMMXLFIOAH-CQSZACIVSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCSc1ccc(Cl)cc1)CCN2 ZINC001169991467 1133128827 /nfs/dbraw/zinc/12/88/27/1133128827.db2.gz XPCXCHPKNUWQNE-UHFFFAOYSA-N 1 2 347.871 3.984 20 0 EHADLO CC(C)(C)Sc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117570 1133132564 /nfs/dbraw/zinc/13/25/64/1133132564.db2.gz AJDKRGXTZCYWHU-ZDUSSCGKSA-N 1 2 329.469 3.975 20 0 EHADLO Fc1cc(NCc2cccc3nsnc32)ccc1-n1cc[nH+]c1 ZINC001178094264 1133135199 /nfs/dbraw/zinc/13/51/99/1133135199.db2.gz BKODQPUOUROQOE-UHFFFAOYSA-N 1 2 325.372 3.628 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000768423786 1133137267 /nfs/dbraw/zinc/13/72/67/1133137267.db2.gz WEKOPYNABJSRKX-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000768423786 1133137271 /nfs/dbraw/zinc/13/72/71/1133137271.db2.gz WEKOPYNABJSRKX-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO CC(C)(Cc1ccccn1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001178186792 1133140154 /nfs/dbraw/zinc/14/01/54/1133140154.db2.gz MQYXBXUKZZMYTQ-UHFFFAOYSA-N 1 2 334.423 3.534 20 0 EHADLO CN(C(=O)C[NH2+]Cc1csc(-c2ccsc2)n1)C1CCCCC1 ZINC001178184117 1133140354 /nfs/dbraw/zinc/14/03/54/1133140354.db2.gz HZGOQTMOLUEYBE-UHFFFAOYSA-N 1 2 349.525 3.752 20 0 EHADLO Cc1cc(-c2ccc(CC(=O)Nc3ccn4cc[nH+]c4c3)cc2)ccn1 ZINC001178376564 1133160661 /nfs/dbraw/zinc/16/06/61/1133160661.db2.gz NTMRIXDWKKSOMX-UHFFFAOYSA-N 1 2 342.402 3.886 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC001178589604 1133179457 /nfs/dbraw/zinc/17/94/57/1133179457.db2.gz NIVXGGREZSYIRY-CYBMUJFWSA-N 1 2 328.243 3.687 20 0 EHADLO Cc1[nH+]c(NCc2nccc3ccccc32)ccc1-c1cnn(C)c1 ZINC001178778717 1133201970 /nfs/dbraw/zinc/20/19/70/1133201970.db2.gz VCNBBEWOCZNRRI-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO CCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000769019502 1133214513 /nfs/dbraw/zinc/21/45/13/1133214513.db2.gz GGRXWNKROFYUQQ-RTBURBONSA-N 1 2 340.471 3.991 20 0 EHADLO Cc1cnnn1-c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC001179021240 1133218458 /nfs/dbraw/zinc/21/84/58/1133218458.db2.gz TUHJJBZWQUIQCR-UHFFFAOYSA-N 1 2 344.422 3.682 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC000768996731 1133218584 /nfs/dbraw/zinc/21/85/84/1133218584.db2.gz PVVGMUYPFDEWNH-IEBWSBKVSA-N 1 2 337.398 3.531 20 0 EHADLO CCOc1cccc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000769390152 1133275356 /nfs/dbraw/zinc/27/53/56/1133275356.db2.gz VFNDUKNAAGQMCM-JXXFODFXSA-N 1 2 326.440 3.831 20 0 EHADLO CCOc1cccc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000769390152 1133275362 /nfs/dbraw/zinc/27/53/62/1133275362.db2.gz VFNDUKNAAGQMCM-JXXFODFXSA-N 1 2 326.440 3.831 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000769426023 1133282460 /nfs/dbraw/zinc/28/24/60/1133282460.db2.gz RVLDRHCUZQKTPV-AWEZNQCLSA-N 1 2 345.414 3.936 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000769426023 1133282464 /nfs/dbraw/zinc/28/24/64/1133282464.db2.gz RVLDRHCUZQKTPV-AWEZNQCLSA-N 1 2 345.414 3.936 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)s1 ZINC000769530441 1133309727 /nfs/dbraw/zinc/30/97/27/1133309727.db2.gz LGIUIYKNMBLHTH-UHFFFAOYSA-N 1 2 347.484 3.771 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2coc(C3CC3)n2)C2CC2)C1 ZINC000769531761 1133310130 /nfs/dbraw/zinc/31/01/30/1133310130.db2.gz XAJPNXGNAHPJEM-MRXNPFEDSA-N 1 2 347.459 3.526 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2coc(C3CC3)n2)C2CC2)C1 ZINC000769531761 1133310135 /nfs/dbraw/zinc/31/01/35/1133310135.db2.gz XAJPNXGNAHPJEM-MRXNPFEDSA-N 1 2 347.459 3.526 20 0 EHADLO CCOCCOC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001179984701 1133310827 /nfs/dbraw/zinc/31/08/27/1133310827.db2.gz UACHFLAYXZPVPG-UHFFFAOYSA-N 1 2 333.806 3.636 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180194478 1133347929 /nfs/dbraw/zinc/34/79/29/1133347929.db2.gz DVUUAUZJECUXCG-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180194478 1133347937 /nfs/dbraw/zinc/34/79/37/1133347937.db2.gz DVUUAUZJECUXCG-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@@H]([NH2+]Cc1occc1Br)[C@@H](c1ccccc1)N(C)C ZINC000769930972 1133369092 /nfs/dbraw/zinc/36/90/92/1133369092.db2.gz RKZZAZNHAXZBLF-WBMJQRKESA-N 1 2 337.261 3.823 20 0 EHADLO COc1ccc(CN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C2CC2)cc1 ZINC000770066519 1133383492 /nfs/dbraw/zinc/38/34/92/1133383492.db2.gz NICIQAGBSDXSMW-OAHLLOKOSA-N 1 2 349.434 3.784 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352516 1133419944 /nfs/dbraw/zinc/41/99/44/1133419944.db2.gz ONHARUMLYQZAMG-NWDGAFQWSA-N 1 2 332.275 3.506 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352516 1133419949 /nfs/dbraw/zinc/41/99/49/1133419949.db2.gz ONHARUMLYQZAMG-NWDGAFQWSA-N 1 2 332.275 3.506 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCN(CC(F)(F)F)[C@H](C)C3)oc21 ZINC000770391607 1133422202 /nfs/dbraw/zinc/42/22/02/1133422202.db2.gz OEUUZPFYZUQCIX-GFCCVEGCSA-N 1 2 342.361 3.510 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCN(CC(F)(F)F)[C@H](C)C3)oc21 ZINC000770391607 1133422204 /nfs/dbraw/zinc/42/22/04/1133422204.db2.gz OEUUZPFYZUQCIX-GFCCVEGCSA-N 1 2 342.361 3.510 20 0 EHADLO CC(C)(C(=O)Nc1cc[nH+]c2c1CCC2)c1ccccc1C(F)(F)F ZINC001180880456 1133424896 /nfs/dbraw/zinc/42/48/96/1133424896.db2.gz LEENKEVYLNYLAZ-UHFFFAOYSA-N 1 2 348.368 3.927 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(-c2ccncc2)cc1 ZINC000770435759 1133429424 /nfs/dbraw/zinc/42/94/24/1133429424.db2.gz UZRYRPOOPSIKGB-OAHLLOKOSA-N 1 2 342.402 3.887 20 0 EHADLO Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCCn2cc[nH+]c2)c1 ZINC001180929850 1133430284 /nfs/dbraw/zinc/43/02/84/1133430284.db2.gz PVNIFRADZLOBDM-UHFFFAOYSA-N 1 2 343.471 3.502 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)CCO1 ZINC001180933366 1133430308 /nfs/dbraw/zinc/43/03/08/1133430308.db2.gz ADCXEDLEWVIILP-KRWDZBQOSA-N 1 2 325.474 3.704 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)CCO1 ZINC001180933366 1133430311 /nfs/dbraw/zinc/43/03/11/1133430311.db2.gz ADCXEDLEWVIILP-KRWDZBQOSA-N 1 2 325.474 3.704 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001180897648 1133432694 /nfs/dbraw/zinc/43/26/94/1133432694.db2.gz XAETYLRJWHJCNF-CQSZACIVSA-N 1 2 336.451 3.829 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001180897648 1133432697 /nfs/dbraw/zinc/43/26/97/1133432697.db2.gz XAETYLRJWHJCNF-CQSZACIVSA-N 1 2 336.451 3.829 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)C(=O)OC ZINC001180962277 1133436559 /nfs/dbraw/zinc/43/65/59/1133436559.db2.gz KVXGSNUIVOJVKC-RCCFBDPRSA-N 1 2 333.472 3.944 20 0 EHADLO CCOC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001181152675 1133460641 /nfs/dbraw/zinc/46/06/41/1133460641.db2.gz GQKGQOAZJHYXOP-AWEZNQCLSA-N 1 2 347.286 3.527 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)o1 ZINC000770699845 1133464194 /nfs/dbraw/zinc/46/41/94/1133464194.db2.gz ILNUWKXKTDLSHF-UHFFFAOYSA-N 1 2 332.419 3.507 20 0 EHADLO COc1ccccc1CC(C)(C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922773 1133484833 /nfs/dbraw/zinc/48/48/33/1133484833.db2.gz RVZBPHMDCHIYNZ-UHFFFAOYSA-N 1 2 338.407 3.655 20 0 EHADLO CC[N@H+](CC(N)=O)Cc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001181444615 1133487959 /nfs/dbraw/zinc/48/79/59/1133487959.db2.gz DHIRBQIJJFLDTL-UHFFFAOYSA-N 1 2 348.443 3.647 20 0 EHADLO CC[N@@H+](CC(N)=O)Cc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001181444615 1133487961 /nfs/dbraw/zinc/48/79/61/1133487961.db2.gz DHIRBQIJJFLDTL-UHFFFAOYSA-N 1 2 348.443 3.647 20 0 EHADLO Cc1cnc(Nc2ccc(C)[nH+]c2C)c(I)c1 ZINC001203367968 1133520432 /nfs/dbraw/zinc/52/04/32/1133520432.db2.gz RQOYOLYOWVNNIQ-UHFFFAOYSA-N 1 2 339.180 3.750 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181827303 1133537535 /nfs/dbraw/zinc/53/75/35/1133537535.db2.gz QXSMDFGANGVQFD-HXUWFJFHSA-N 1 2 342.442 3.957 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1CCn2cccc2C1)c1ccccc1Cl ZINC001182228465 1133593419 /nfs/dbraw/zinc/59/34/19/1133593419.db2.gz XPKCQIQRHDZBBI-GOSISDBHSA-N 1 2 345.874 3.567 20 0 EHADLO COCCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC(F)(F)CC1 ZINC001182426367 1133654508 /nfs/dbraw/zinc/65/45/08/1133654508.db2.gz ISUGACFIJOSRAA-UHFFFAOYSA-N 1 2 337.370 3.505 20 0 EHADLO C/C(=C/C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1cccc(F)c1 ZINC000746540103 1133685281 /nfs/dbraw/zinc/68/52/81/1133685281.db2.gz QNFLCJJNTMZKOF-PTNGSMBKSA-N 1 2 337.398 3.544 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000785505186 1133715001 /nfs/dbraw/zinc/71/50/01/1133715001.db2.gz CZUFGBIUMDOHGN-HXUWFJFHSA-N 1 2 346.434 3.703 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000785505186 1133715005 /nfs/dbraw/zinc/71/50/05/1133715005.db2.gz CZUFGBIUMDOHGN-HXUWFJFHSA-N 1 2 346.434 3.703 20 0 EHADLO CC[C@H](c1noc([C@H](C)[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000785587162 1133723209 /nfs/dbraw/zinc/72/32/09/1133723209.db2.gz FLWUWSDSLWFOMH-GWCFXTLKSA-N 1 2 338.249 3.997 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC000785731397 1133742241 /nfs/dbraw/zinc/74/22/41/1133742241.db2.gz MHFWHSABAKUVEX-ZIAGYGMSSA-N 1 2 330.453 3.726 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710082 1133746098 /nfs/dbraw/zinc/74/60/98/1133746098.db2.gz BUSDPVDSICQOLU-UXHICEINSA-N 1 2 341.451 3.872 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710082 1133746104 /nfs/dbraw/zinc/74/61/04/1133746104.db2.gz BUSDPVDSICQOLU-UXHICEINSA-N 1 2 341.451 3.872 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000250 1133755719 /nfs/dbraw/zinc/75/57/19/1133755719.db2.gz LYLVKJRHMXKKEZ-BBRMVZONSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000250 1133755723 /nfs/dbraw/zinc/75/57/23/1133755723.db2.gz LYLVKJRHMXKKEZ-BBRMVZONSA-N 1 2 331.378 3.935 20 0 EHADLO C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000785848942 1133764881 /nfs/dbraw/zinc/76/48/81/1133764881.db2.gz NWWKAWPHICZNIY-LBPRGKRZSA-N 1 2 347.340 3.887 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCOCC[C@H]3C)c2=S)cc1C ZINC000774659225 1133838278 /nfs/dbraw/zinc/83/82/78/1133838278.db2.gz HXGBNRGDCDZPPO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCOCC[C@H]3C)c2=S)cc1C ZINC000774659225 1133838283 /nfs/dbraw/zinc/83/82/83/1133838283.db2.gz HXGBNRGDCDZPPO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(NC(=O)CCc2ccc(N)[nH+]c2)cc(C)c1Br ZINC001183931741 1133874100 /nfs/dbraw/zinc/87/41/00/1133874100.db2.gz GOLWCCGRPUJNIL-UHFFFAOYSA-N 1 2 348.244 3.614 20 0 EHADLO CC(C)[C@@H](Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21)c1ccc(F)cc1 ZINC001170060847 1133880384 /nfs/dbraw/zinc/88/03/84/1133880384.db2.gz VQKBOBPLDDASAG-MYYSRTQBSA-N 1 2 346.431 3.644 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccccc2N2CCCCC2)sn1 ZINC001183991470 1133886481 /nfs/dbraw/zinc/88/64/81/1133886481.db2.gz IZPFXMKXHZZRFS-UHFFFAOYSA-N 1 2 331.485 3.774 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCCCC2)sn1 ZINC001183991470 1133886488 /nfs/dbraw/zinc/88/64/88/1133886488.db2.gz IZPFXMKXHZZRFS-UHFFFAOYSA-N 1 2 331.485 3.774 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cc(Cl)ccc2F)cc1OC ZINC000786741882 1133893486 /nfs/dbraw/zinc/89/34/86/1133893486.db2.gz GCKHNQMPMZBQJO-UHFFFAOYSA-N 1 2 338.766 3.543 20 0 EHADLO Brc1ncccc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001184352119 1133931815 /nfs/dbraw/zinc/93/18/15/1133931815.db2.gz WPZHAXRJVQJVAA-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ncccc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001184352119 1133931820 /nfs/dbraw/zinc/93/18/20/1133931820.db2.gz WPZHAXRJVQJVAA-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001184521761 1133948470 /nfs/dbraw/zinc/94/84/70/1133948470.db2.gz SJYPFHJPOKGCEU-UHFFFAOYSA-N 1 2 343.805 3.596 20 0 EHADLO CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000073372883 1133957327 /nfs/dbraw/zinc/95/73/27/1133957327.db2.gz GHXBBVQGCSCEAA-JSGCOSHPSA-N 1 2 339.361 3.600 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000746670488 1133985326 /nfs/dbraw/zinc/98/53/26/1133985326.db2.gz KHRJTAZVMTUMQH-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000746670488 1133985329 /nfs/dbraw/zinc/98/53/29/1133985329.db2.gz KHRJTAZVMTUMQH-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO CCc1cc2c(nc(C)nc2NCCCNc2cccc[nH+]2)s1 ZINC001184893092 1133998232 /nfs/dbraw/zinc/99/82/32/1133998232.db2.gz NFLGTSDBQYSZKA-UHFFFAOYSA-N 1 2 327.457 3.871 20 0 EHADLO Cc1cc(OCCCC(=O)OCc2cc[nH+]c(N)c2)ccc1Cl ZINC000787561867 1134017028 /nfs/dbraw/zinc/01/70/28/1134017028.db2.gz CPRISKAGRBUYQZ-UHFFFAOYSA-N 1 2 334.803 3.528 20 0 EHADLO Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1Br ZINC000787899033 1134057358 /nfs/dbraw/zinc/05/73/58/1134057358.db2.gz QFMRFGIZCJAGQX-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO Cc1ccc(F)c(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001185254700 1134058580 /nfs/dbraw/zinc/05/85/80/1134058580.db2.gz BCWJHZNFRMFJGW-OAHLLOKOSA-N 1 2 329.375 3.604 20 0 EHADLO CC(C)(C)SCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788247653 1134100948 /nfs/dbraw/zinc/10/09/48/1134100948.db2.gz VCGFFICUKJKKSJ-CQSZACIVSA-N 1 2 349.544 3.963 20 0 EHADLO CC(C)(C)SCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788247653 1134100952 /nfs/dbraw/zinc/10/09/52/1134100952.db2.gz VCGFFICUKJKKSJ-CQSZACIVSA-N 1 2 349.544 3.963 20 0 EHADLO CCOC(=O)CCN(CC1CC1)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001185693461 1134120573 /nfs/dbraw/zinc/12/05/73/1134120573.db2.gz NXQHFFGJQJEELV-UHFFFAOYSA-N 1 2 333.476 3.893 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc3ccc(Br)cc3s2)on1 ZINC000774995868 1134188997 /nfs/dbraw/zinc/18/89/97/1134188997.db2.gz ZGMPCYJSQPWCFT-UHFFFAOYSA-N 1 2 338.230 3.645 20 0 EHADLO C[C@@H]1CN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C(C)(C)C1 ZINC000746771706 1134189705 /nfs/dbraw/zinc/18/97/05/1134189705.db2.gz HKSGJXAFMZTSCR-DOTOQJQBSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)noc21 ZINC001186527825 1134229741 /nfs/dbraw/zinc/22/97/41/1134229741.db2.gz ORNCKIZJMHIEQH-UHFFFAOYSA-N 1 2 332.363 3.503 20 0 EHADLO Cc1cc(N2CCN(c3cccc(F)c3)C[C@H]2C)nc(C2CCC2)[nH+]1 ZINC001186601451 1134238598 /nfs/dbraw/zinc/23/85/98/1134238598.db2.gz CGGBQTZPWGZUIA-OAHLLOKOSA-N 1 2 340.446 3.907 20 0 EHADLO Cn1c[nH+]c(CCNc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC001186661955 1134243628 /nfs/dbraw/zinc/24/36/28/1134243628.db2.gz OZEAIZNWLFRCKY-UHFFFAOYSA-N 1 2 335.436 3.746 20 0 EHADLO CC(=O)c1cc(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)ccc1C ZINC000789454310 1134277778 /nfs/dbraw/zinc/27/77/78/1134277778.db2.gz IRNXAXKRCOKBJV-KRWDZBQOSA-N 1 2 341.407 3.612 20 0 EHADLO CC(=O)c1cc(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)ccc1C ZINC000789454310 1134277782 /nfs/dbraw/zinc/27/77/82/1134277782.db2.gz IRNXAXKRCOKBJV-KRWDZBQOSA-N 1 2 341.407 3.612 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000789545300 1134294254 /nfs/dbraw/zinc/29/42/54/1134294254.db2.gz IVLZGKGYHBKCNC-UHFFFAOYSA-N 1 2 349.459 3.719 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000789545300 1134294260 /nfs/dbraw/zinc/29/42/60/1134294260.db2.gz IVLZGKGYHBKCNC-UHFFFAOYSA-N 1 2 349.459 3.719 20 0 EHADLO CCOCc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001187098149 1134297991 /nfs/dbraw/zinc/29/79/91/1134297991.db2.gz MBGVMFNLIAJZBC-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO CCN(C1C[NH+](C)C1)C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001157455978 1134298176 /nfs/dbraw/zinc/29/81/76/1134298176.db2.gz YXSQPVXRMXZAQD-UHFFFAOYSA-N 1 2 325.790 3.573 20 0 EHADLO O=C(Nc1cccc(Br)c1)Nc1cccc2[nH+]ccn21 ZINC001187433911 1134339091 /nfs/dbraw/zinc/33/90/91/1134339091.db2.gz NCYBWHRDOWQBMU-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1C[NH+](C)C1 ZINC001187514166 1134340158 /nfs/dbraw/zinc/34/01/58/1134340158.db2.gz MSCVLLADMUNKFE-UHFFFAOYSA-N 1 2 335.757 3.527 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1cc(F)cc(F)c1 ZINC001187598789 1134351825 /nfs/dbraw/zinc/35/18/25/1134351825.db2.gz VKTIWXVWYDRFHH-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001187695561 1134369677 /nfs/dbraw/zinc/36/96/77/1134369677.db2.gz ALGKNQKLMVTWLD-AWEZNQCLSA-N 1 2 349.793 3.949 20 0 EHADLO C[C@@H]1CC/C(=C\C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000790156248 1134376947 /nfs/dbraw/zinc/37/69/47/1134376947.db2.gz AYXMDAINBUBOIL-WTNDLDAUSA-N 1 2 327.472 3.672 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3cccc(Cl)c3F)n2c1 ZINC001188418671 1134460102 /nfs/dbraw/zinc/46/01/02/1134460102.db2.gz TUWPJPKDEUODPF-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(C(F)F)c1 ZINC000791128489 1134507841 /nfs/dbraw/zinc/50/78/41/1134507841.db2.gz PQRUFNGFVMUSHH-OAHLLOKOSA-N 1 2 335.398 3.594 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000791315613 1134536083 /nfs/dbraw/zinc/53/60/83/1134536083.db2.gz SXEPQIYNVCXXIC-UHFFFAOYSA-N 1 2 348.362 3.521 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@@H]1CCCCO1 ZINC000791381163 1134537536 /nfs/dbraw/zinc/53/75/36/1134537536.db2.gz DJJVTKIWYOSGED-SFHVURJKSA-N 1 2 328.412 3.573 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189335590 1134573233 /nfs/dbraw/zinc/57/32/33/1134573233.db2.gz BISZQYLISPZISQ-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(-c2ccsc2)c1 ZINC001189384839 1134577893 /nfs/dbraw/zinc/57/78/93/1134577893.db2.gz ASUBHIFRYGKOQX-GOSISDBHSA-N 1 2 349.459 3.819 20 0 EHADLO Nc1cc(COC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)cc[nH+]1 ZINC000791731645 1134597552 /nfs/dbraw/zinc/59/75/52/1134597552.db2.gz ISBLPWJGQKRLDB-UHFFFAOYSA-N 1 2 336.178 3.809 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)NC(c1ccccc1)c1ccccc1 ZINC001189556345 1134598180 /nfs/dbraw/zinc/59/81/80/1134598180.db2.gz HVAAEYAWAVFLOI-UHFFFAOYSA-N 1 2 347.418 3.549 20 0 EHADLO CC(C)(C(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791840530 1134618028 /nfs/dbraw/zinc/61/80/28/1134618028.db2.gz PIHHZCBZFIGTJD-UHFFFAOYSA-N 1 2 338.329 3.704 20 0 EHADLO CC(C)(C)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001189875851 1134632597 /nfs/dbraw/zinc/63/25/97/1134632597.db2.gz HJQDAGDWJWOJIA-UHFFFAOYSA-N 1 2 325.334 3.838 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792084511 1134652687 /nfs/dbraw/zinc/65/26/87/1134652687.db2.gz JADKHHOIWPDDDD-WBVHZDCISA-N 1 2 334.460 3.863 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)c3ccccc3-n3cc[nH+]c3)cc2c1C ZINC001190098894 1134655213 /nfs/dbraw/zinc/65/52/13/1134655213.db2.gz AVCSCEMPYJMKHH-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CC[C@H](c2ccccc2F)C1 ZINC001190096940 1134655229 /nfs/dbraw/zinc/65/52/29/1134655229.db2.gz FSZIQCOIXOEZSQ-HNNXBMFYSA-N 1 2 335.382 3.641 20 0 EHADLO CCc1cn(Cc2nnc(-c3cc4ccccc4cc3OC)o2)c[nH+]1 ZINC001190104685 1134656815 /nfs/dbraw/zinc/65/68/15/1134656815.db2.gz UREQMLKSVGDDON-UHFFFAOYSA-N 1 2 334.379 3.706 20 0 EHADLO O=C(Nc1ccc(-n2cccc2)cc1)c1ccccc1-n1cc[nH+]c1 ZINC001190075164 1134658230 /nfs/dbraw/zinc/65/82/30/1134658230.db2.gz OPUZDLLIVYKPDV-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO O=C(Nc1csc(-c2ccncc2)n1)c1ccccc1-n1cc[nH+]c1 ZINC001190086402 1134659430 /nfs/dbraw/zinc/65/94/30/1134659430.db2.gz ZTAVDGGRSUZKMP-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492808 1134661237 /nfs/dbraw/zinc/66/12/37/1134661237.db2.gz OQZDQLKCXDVSAL-FZMZJTMJSA-N 1 2 329.412 3.775 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492808 1134661241 /nfs/dbraw/zinc/66/12/41/1134661241.db2.gz OQZDQLKCXDVSAL-FZMZJTMJSA-N 1 2 329.412 3.775 20 0 EHADLO Nc1cc(COC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc[nH+]1 ZINC000792262978 1134675279 /nfs/dbraw/zinc/67/52/79/1134675279.db2.gz RLVCYFDKBLAMIJ-UHFFFAOYSA-N 1 2 327.771 3.669 20 0 EHADLO Cc1ccccc1-c1cccc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001190296046 1134681943 /nfs/dbraw/zinc/68/19/43/1134681943.db2.gz KUEJHWKZACAIAK-UHFFFAOYSA-N 1 2 331.419 3.557 20 0 EHADLO Cc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)c2ccccc2[nH+]1 ZINC001190460866 1134704525 /nfs/dbraw/zinc/70/45/25/1134704525.db2.gz NQQXDAZOGMWQFS-UHFFFAOYSA-N 1 2 338.432 3.643 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1F)Cc1ccc(F)cc1 ZINC001190674595 1134737773 /nfs/dbraw/zinc/73/77/73/1134737773.db2.gz UMCUNYSVNATJLY-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1F)Cc1ccc(F)cc1 ZINC001190674595 1134737775 /nfs/dbraw/zinc/73/77/75/1134737775.db2.gz UMCUNYSVNATJLY-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC001191040434 1134790079 /nfs/dbraw/zinc/79/00/79/1134790079.db2.gz XDAUSVVWISFNNR-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC001191040434 1134790084 /nfs/dbraw/zinc/79/00/84/1134790084.db2.gz XDAUSVVWISFNNR-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccccc1Cl ZINC000792864528 1134801612 /nfs/dbraw/zinc/80/16/12/1134801612.db2.gz FLBGTXBNNVYTLI-UHFFFAOYSA-N 1 2 336.725 3.882 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399861 1134856436 /nfs/dbraw/zinc/85/64/36/1134856436.db2.gz MZSXOFPZCYAKDM-WCQYABFASA-N 1 2 346.254 3.788 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399861 1134856443 /nfs/dbraw/zinc/85/64/43/1134856443.db2.gz MZSXOFPZCYAKDM-WCQYABFASA-N 1 2 346.254 3.788 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000793250627 1134889354 /nfs/dbraw/zinc/88/93/54/1134889354.db2.gz AOTARFAOZQOYAJ-LSDHHAIUSA-N 1 2 339.222 3.616 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@@H]2CCC[C@H](C)C2)Cc2ccccc2C1 ZINC001191764068 1134910693 /nfs/dbraw/zinc/91/06/93/1134910693.db2.gz OGBSUEKCRSZIHM-IRXDYDNUSA-N 1 2 329.484 3.893 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@H+](CCO)Cc1cccnc1Cl ZINC000793365079 1134910780 /nfs/dbraw/zinc/91/07/80/1134910780.db2.gz AUSQDAILFBGYQS-UHFFFAOYSA-N 1 2 339.266 4.000 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@@H+](CCO)Cc1cccnc1Cl ZINC000793365079 1134910784 /nfs/dbraw/zinc/91/07/84/1134910784.db2.gz AUSQDAILFBGYQS-UHFFFAOYSA-N 1 2 339.266 4.000 20 0 EHADLO CC(C)Oc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793366004 1134911581 /nfs/dbraw/zinc/91/15/81/1134911581.db2.gz LXLPFBFNEZEFSP-UHFFFAOYSA-N 1 2 334.847 3.517 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793366004 1134911589 /nfs/dbraw/zinc/91/15/89/1134911589.db2.gz LXLPFBFNEZEFSP-UHFFFAOYSA-N 1 2 334.847 3.517 20 0 EHADLO C[C@]12CC[N@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C[C@H]1C2(F)F ZINC000793534726 1134950138 /nfs/dbraw/zinc/95/01/38/1134950138.db2.gz VARHJXNPMVRNDJ-LZWOXQAQSA-N 1 2 340.801 3.548 20 0 EHADLO C[C@]12CC[N@@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C[C@H]1C2(F)F ZINC000793534726 1134950143 /nfs/dbraw/zinc/95/01/43/1134950143.db2.gz VARHJXNPMVRNDJ-LZWOXQAQSA-N 1 2 340.801 3.548 20 0 EHADLO O=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCn2c[nH+]cc2C1 ZINC001192026319 1134958653 /nfs/dbraw/zinc/95/86/53/1134958653.db2.gz LCERSQDPSHBUEY-UHFFFAOYSA-N 1 2 345.617 3.891 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001192053088 1134961929 /nfs/dbraw/zinc/96/19/29/1134961929.db2.gz VJPTVMLXSWUATE-CYBMUJFWSA-N 1 2 329.391 3.963 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001192053088 1134961932 /nfs/dbraw/zinc/96/19/32/1134961932.db2.gz VJPTVMLXSWUATE-CYBMUJFWSA-N 1 2 329.391 3.963 20 0 EHADLO COc1ccc2cc(NC3CCN(CC(F)(F)F)CC3)[nH+]cc2c1 ZINC001170440554 1135009149 /nfs/dbraw/zinc/00/91/49/1135009149.db2.gz PYZBYBIJRCBPOE-UHFFFAOYSA-N 1 2 339.361 3.682 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(CC(C)C)cc1 ZINC001192473971 1135017396 /nfs/dbraw/zinc/01/73/96/1135017396.db2.gz AYOIUFNABPHMOY-UHFFFAOYSA-N 1 2 331.485 3.580 20 0 EHADLO c1coc(C[N@H+](Cc2cccnc2)C[C@H]2COC3(CCCCC3)O2)c1 ZINC001192526487 1135031520 /nfs/dbraw/zinc/03/15/20/1135031520.db2.gz ZOWKLGQTVBDSIU-IBGZPJMESA-N 1 2 342.439 3.753 20 0 EHADLO c1coc(C[N@@H+](Cc2cccnc2)C[C@H]2COC3(CCCCC3)O2)c1 ZINC001192526487 1135031527 /nfs/dbraw/zinc/03/15/27/1135031527.db2.gz ZOWKLGQTVBDSIU-IBGZPJMESA-N 1 2 342.439 3.753 20 0 EHADLO FC1(F)CN(Cc2cccc3ncccc23)CC[C@@H]1[NH+]1CCCC1 ZINC001137632169 1135076526 /nfs/dbraw/zinc/07/65/26/1135076526.db2.gz SZTDUIHOBVSWHN-SFHVURJKSA-N 1 2 331.410 3.540 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3C(C)(C)C2)sc1C ZINC001192939571 1135080651 /nfs/dbraw/zinc/08/06/51/1135080651.db2.gz OINJKGNXCLLGIS-ZDUSSCGKSA-N 1 2 343.496 3.880 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3C(C)(C)C2)sc1C ZINC001192939571 1135080656 /nfs/dbraw/zinc/08/06/56/1135080656.db2.gz OINJKGNXCLLGIS-ZDUSSCGKSA-N 1 2 343.496 3.880 20 0 EHADLO CCCCc1nnc(NC(=O)C[NH+]2CC(C)(C)CC(C)(C)C2)s1 ZINC001193102813 1135101330 /nfs/dbraw/zinc/10/13/30/1135101330.db2.gz AUZVXOBSFPYVAH-UHFFFAOYSA-N 1 2 338.521 3.577 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1noc(Cc2ccccc2)n1 ZINC001193154335 1135110110 /nfs/dbraw/zinc/11/01/10/1135110110.db2.gz LDTPABIAFVWMPN-GDBMZVCRSA-N 1 2 329.444 3.516 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1noc(Cc2ccccc2)n1 ZINC001193155584 1135110451 /nfs/dbraw/zinc/11/04/51/1135110451.db2.gz XWQYOAGEFBIASL-GOEBONIOSA-N 1 2 329.444 3.659 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(F)cc1 ZINC000775586911 1135120779 /nfs/dbraw/zinc/12/07/79/1135120779.db2.gz UPQHHTYGVKWVRM-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(F)cc1 ZINC000775586911 1135120781 /nfs/dbraw/zinc/12/07/81/1135120781.db2.gz UPQHHTYGVKWVRM-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc(Cl)c1)C2 ZINC001193293811 1135122649 /nfs/dbraw/zinc/12/26/49/1135122649.db2.gz SUBYQFJDFOIKOF-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc(Cl)c1)C2 ZINC001193293811 1135122655 /nfs/dbraw/zinc/12/26/55/1135122655.db2.gz SUBYQFJDFOIKOF-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO CCCCCNC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001193356616 1135129655 /nfs/dbraw/zinc/12/96/55/1135129655.db2.gz HQWSHOQPFBLMFM-UHFFFAOYSA-N 1 2 334.851 3.574 20 0 EHADLO CC(C)(C)c1cccc(OCCC[N@@H+]2CC[S@](=O)CC2(C)C)c1 ZINC001193459186 1135138613 /nfs/dbraw/zinc/13/86/13/1135138613.db2.gz BOSQLMFPIRBVJK-QHCPKHFHSA-N 1 2 337.529 3.596 20 0 EHADLO CC(C)(C)c1cccc(OCCC[N@H+]2CC[S@](=O)CC2(C)C)c1 ZINC001193459186 1135138617 /nfs/dbraw/zinc/13/86/17/1135138617.db2.gz BOSQLMFPIRBVJK-QHCPKHFHSA-N 1 2 337.529 3.596 20 0 EHADLO CCCCOC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001193721885 1135172730 /nfs/dbraw/zinc/17/27/30/1135172730.db2.gz DMFUQHZZFRXHOR-UHFFFAOYSA-N 1 2 342.842 3.970 20 0 EHADLO CCc1ccc(-c2cc(C(=O)NCc3cc(C)[nH+]c(C)c3)no2)cc1 ZINC001129857548 1135172997 /nfs/dbraw/zinc/17/29/97/1135172997.db2.gz AUMWOAIWAZRHEL-UHFFFAOYSA-N 1 2 335.407 3.846 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001193977199 1135209602 /nfs/dbraw/zinc/20/96/02/1135209602.db2.gz PVPCXXNGSUKNLA-AMKSKSKJSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001193977199 1135209607 /nfs/dbraw/zinc/20/96/07/1135209607.db2.gz PVPCXXNGSUKNLA-AMKSKSKJSA-N 1 2 330.255 3.526 20 0 EHADLO Cc1cc(C)[nH+]c(CN2CCOc3c(Br)cccc3C2)c1 ZINC001194008418 1135213292 /nfs/dbraw/zinc/21/32/92/1135213292.db2.gz JUXHCLAAHMIOED-UHFFFAOYSA-N 1 2 347.256 3.856 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)Oc3ccc(Cl)cc3)CC2)cc1 ZINC001194043198 1135221278 /nfs/dbraw/zinc/22/12/78/1135221278.db2.gz LAQDJJPSIIQVCR-UHFFFAOYSA-N 1 2 344.842 3.965 20 0 EHADLO Fc1ccc(C[NH+]2CCN(Cc3c(F)ccc(F)c3F)CC2)cc1 ZINC001137925576 1135267845 /nfs/dbraw/zinc/26/78/45/1135267845.db2.gz PRZMLLHIBVARJL-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC001194561291 1135285420 /nfs/dbraw/zinc/28/54/20/1135285420.db2.gz AVYLDNVLHMMZNP-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC001194561291 1135285423 /nfs/dbraw/zinc/28/54/23/1135285423.db2.gz AVYLDNVLHMMZNP-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc2snnc21 ZINC001194907461 1135339156 /nfs/dbraw/zinc/33/91/56/1135339156.db2.gz OOMQIYNETTVLHA-UHFFFAOYSA-N 1 2 349.419 3.653 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194888061 1135342961 /nfs/dbraw/zinc/34/29/61/1135342961.db2.gz SQQOMHKEHXBIFQ-OAHLLOKOSA-N 1 2 331.419 3.847 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001195343126 1135414507 /nfs/dbraw/zinc/41/45/07/1135414507.db2.gz WFSRSQYFZWFNFR-SFHVURJKSA-N 1 2 339.863 3.902 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001195343126 1135414511 /nfs/dbraw/zinc/41/45/11/1135414511.db2.gz WFSRSQYFZWFNFR-SFHVURJKSA-N 1 2 339.863 3.902 20 0 EHADLO c1coc([C@H](Cc2ccccc2)[NH2+]Cc2cccc3nsnc32)n1 ZINC001195558615 1135441408 /nfs/dbraw/zinc/44/14/08/1135441408.db2.gz PYOUGAAIGSCDLX-INIZCTEOSA-N 1 2 336.420 3.753 20 0 EHADLO COc1ccc(NC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001195703481 1135457753 /nfs/dbraw/zinc/45/77/53/1135457753.db2.gz INMOUGLRIZIEAW-UHFFFAOYSA-N 1 2 338.436 3.749 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@@H](C)c2nccn2-c2ccccc2)c1C ZINC000806612627 1135470321 /nfs/dbraw/zinc/47/03/21/1135470321.db2.gz IBNGSBMOEPNMOZ-INIZCTEOSA-N 1 2 336.439 3.744 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1C ZINC000806612627 1135470324 /nfs/dbraw/zinc/47/03/24/1135470324.db2.gz IBNGSBMOEPNMOZ-INIZCTEOSA-N 1 2 336.439 3.744 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c(N(C)C)[nH+]1 ZINC000775683827 1135505104 /nfs/dbraw/zinc/50/51/04/1135505104.db2.gz WAXRLDILAZVZDO-NEPJUHHUSA-N 1 2 344.381 3.651 20 0 EHADLO CC[C@H](C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(OC)cc1 ZINC000775684341 1135505435 /nfs/dbraw/zinc/50/54/35/1135505435.db2.gz FMNNYCCTCGGKRO-KRWDZBQOSA-N 1 2 342.439 3.526 20 0 EHADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)sn1 ZINC001196030918 1135510632 /nfs/dbraw/zinc/51/06/32/1135510632.db2.gz DVZHDSDBQBKXRP-QGZVFWFLSA-N 1 2 344.480 3.893 20 0 EHADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)sn1 ZINC001196030918 1135510637 /nfs/dbraw/zinc/51/06/37/1135510637.db2.gz DVZHDSDBQBKXRP-QGZVFWFLSA-N 1 2 344.480 3.893 20 0 EHADLO CCOC(=O)[C@H]1c2ccoc2CC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC001196126229 1135517610 /nfs/dbraw/zinc/51/76/10/1135517610.db2.gz VNGWQXFERTWSCE-OXJNMPFZSA-N 1 2 339.435 3.862 20 0 EHADLO CCOC(=O)[C@H]1c2ccoc2CC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC001196126229 1135517613 /nfs/dbraw/zinc/51/76/13/1135517613.db2.gz VNGWQXFERTWSCE-OXJNMPFZSA-N 1 2 339.435 3.862 20 0 EHADLO O=C1C[C@]2(CCC[N@@H+](Cc3ccc(F)cc3F)C2)Oc2ccccc21 ZINC001196127808 1135518565 /nfs/dbraw/zinc/51/85/65/1135518565.db2.gz AFKFRZIWOAFATA-FQEVSTJZSA-N 1 2 343.373 3.965 20 0 EHADLO O=C1C[C@]2(CCC[N@H+](Cc3ccc(F)cc3F)C2)Oc2ccccc21 ZINC001196127808 1135518567 /nfs/dbraw/zinc/51/85/67/1135518567.db2.gz AFKFRZIWOAFATA-FQEVSTJZSA-N 1 2 343.373 3.965 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@]3(C)CC[C@H](C)C3(C)C)[nH+]c12 ZINC001130927977 1135539429 /nfs/dbraw/zinc/53/94/29/1135539429.db2.gz RBNZIDPZZCVYMJ-YWZLYKJASA-N 1 2 327.472 3.764 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(Cl)n1)c1cccc(Cl)c1Cl ZINC001196285614 1135543210 /nfs/dbraw/zinc/54/32/10/1135543210.db2.gz OIWYOXYDNXJMLQ-LBPRGKRZSA-N 1 2 331.630 3.865 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001196575181 1135584752 /nfs/dbraw/zinc/58/47/52/1135584752.db2.gz RRLRFFWNEZCXDT-AYBZRNKSSA-N 1 2 335.875 3.840 20 0 EHADLO COCCC[N@@H+](Cc1ccncc1)Cn1cc(C(C)C)n(C)c1=S ZINC000747455543 1135619630 /nfs/dbraw/zinc/61/96/30/1135619630.db2.gz BKWQCYYXTWDOKN-UHFFFAOYSA-N 1 2 348.516 3.571 20 0 EHADLO COCCC[N@H+](Cc1ccncc1)Cn1cc(C(C)C)n(C)c1=S ZINC000747455543 1135619633 /nfs/dbraw/zinc/61/96/33/1135619633.db2.gz BKWQCYYXTWDOKN-UHFFFAOYSA-N 1 2 348.516 3.571 20 0 EHADLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001196862208 1135624407 /nfs/dbraw/zinc/62/44/07/1135624407.db2.gz YFXVMDTUZHGDBK-UHFFFAOYSA-N 1 2 349.261 3.580 20 0 EHADLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001196862208 1135624409 /nfs/dbraw/zinc/62/44/09/1135624409.db2.gz YFXVMDTUZHGDBK-UHFFFAOYSA-N 1 2 349.261 3.580 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182163 1135627228 /nfs/dbraw/zinc/62/72/28/1135627228.db2.gz FTQODBBEBWNBNG-NMIWIPSGSA-N 1 2 349.478 3.984 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182163 1135627230 /nfs/dbraw/zinc/62/72/30/1135627230.db2.gz FTQODBBEBWNBNG-NMIWIPSGSA-N 1 2 349.478 3.984 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c(Cl)ccnc1C(F)(F)F ZINC001197224683 1135661326 /nfs/dbraw/zinc/66/13/26/1135661326.db2.gz YCIGYWQZAXTNJS-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2CCc2ccccc2Cl)cc1 ZINC001197229714 1135661907 /nfs/dbraw/zinc/66/19/07/1135661907.db2.gz HFYVJYKDKPOAIC-IBGZPJMESA-N 1 2 331.843 3.965 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2CCc2ccccc2Cl)cc1 ZINC001197229714 1135661908 /nfs/dbraw/zinc/66/19/08/1135661908.db2.gz HFYVJYKDKPOAIC-IBGZPJMESA-N 1 2 331.843 3.965 20 0 EHADLO CC1(C)CCc2cc(C[NH2+]Cc3nccc(C(F)F)n3)ccc2O1 ZINC000808435813 1135666750 /nfs/dbraw/zinc/66/67/50/1135666750.db2.gz XWPWFINUTWCCKF-UHFFFAOYSA-N 1 2 333.382 3.808 20 0 EHADLO CCc1cc(NC(=S)Nc2ccccc2C(F)(F)F)cc[nH+]1 ZINC001197232891 1135669193 /nfs/dbraw/zinc/66/91/93/1135669193.db2.gz FWFHSYWWDLFIAS-UHFFFAOYSA-N 1 2 325.359 3.894 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001197355535 1135677084 /nfs/dbraw/zinc/67/70/84/1135677084.db2.gz JREOLZOIMPIDLN-OAHLLOKOSA-N 1 2 346.887 3.690 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808465666 1135681625 /nfs/dbraw/zinc/68/16/25/1135681625.db2.gz CLVQOTHGWBBWKZ-UONOGXRCSA-N 1 2 348.796 3.774 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808465666 1135681626 /nfs/dbraw/zinc/68/16/26/1135681626.db2.gz CLVQOTHGWBBWKZ-UONOGXRCSA-N 1 2 348.796 3.774 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1cc(F)ccc1F)C2 ZINC001197412425 1135689060 /nfs/dbraw/zinc/68/90/60/1135689060.db2.gz FWPJDSOYRYLALZ-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1cc(F)ccc1F)C2 ZINC001197412425 1135689062 /nfs/dbraw/zinc/68/90/62/1135689062.db2.gz FWPJDSOYRYLALZ-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO S=C(Nc1ccn2cc[nH+]c2c1)Nc1ccccc1Br ZINC001197764507 1135730004 /nfs/dbraw/zinc/73/00/04/1135730004.db2.gz NQQRXBNWMOKWRK-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892273 1135746965 /nfs/dbraw/zinc/74/69/65/1135746965.db2.gz UWCIVWSNVYCNCN-ZYHUDNBSSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892273 1135746969 /nfs/dbraw/zinc/74/69/69/1135746969.db2.gz UWCIVWSNVYCNCN-ZYHUDNBSSA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198076070 1135769375 /nfs/dbraw/zinc/76/93/75/1135769375.db2.gz QUGIMXVNZJSVDU-UHFFFAOYSA-N 1 2 342.390 3.969 20 0 EHADLO S=C(NCCn1cc[nH+]c1)Nc1ccc(Cl)c(Cl)c1Cl ZINC001198086760 1135770638 /nfs/dbraw/zinc/77/06/38/1135770638.db2.gz XHPHJBYYPLXSTK-UHFFFAOYSA-N 1 2 349.674 3.830 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccccc2Oc2cccnc2)sn1 ZINC001198122821 1135778237 /nfs/dbraw/zinc/77/82/37/1135778237.db2.gz YFEFVWPTDMDQPG-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccccc2Oc2cccnc2)sn1 ZINC001198122821 1135778240 /nfs/dbraw/zinc/77/82/40/1135778240.db2.gz YFEFVWPTDMDQPG-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)[nH+]1 ZINC001198169484 1135781548 /nfs/dbraw/zinc/78/15/48/1135781548.db2.gz SDUZZYLIJHKMNA-UHFFFAOYSA-N 1 2 349.715 3.502 20 0 EHADLO CCN(c1ccc(NC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000809278015 1135814117 /nfs/dbraw/zinc/81/41/17/1135814117.db2.gz KGOOWVMVIVMRQE-INIZCTEOSA-N 1 2 343.475 3.576 20 0 EHADLO Clc1ccnc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1Cl ZINC001198585509 1135839612 /nfs/dbraw/zinc/83/96/12/1135839612.db2.gz GADHHIXFHDQFJA-SNVBAGLBSA-N 1 2 328.268 3.910 20 0 EHADLO Clc1ccnc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1Cl ZINC001198585509 1135839615 /nfs/dbraw/zinc/83/96/15/1135839615.db2.gz GADHHIXFHDQFJA-SNVBAGLBSA-N 1 2 328.268 3.910 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cc(F)ccc2OC(F)F)c(C)[nH+]1 ZINC001131738235 1135846388 /nfs/dbraw/zinc/84/63/88/1135846388.db2.gz QGLJXNZZRSVTDW-UHFFFAOYSA-N 1 2 338.329 3.677 20 0 EHADLO C[NH+](C)[C@H](CNc1ccc(=S)[nH]n1)c1ccc(Cl)cc1Cl ZINC001170585857 1135875300 /nfs/dbraw/zinc/87/53/00/1135875300.db2.gz OZFYFQZFYYLNGK-GFCCVEGCSA-N 1 2 343.283 3.787 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)s1 ZINC000809772773 1135881022 /nfs/dbraw/zinc/88/10/22/1135881022.db2.gz ZPBHLNPKNCYUSY-STQMWFEESA-N 1 2 339.505 3.754 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)s1 ZINC000809772773 1135881024 /nfs/dbraw/zinc/88/10/24/1135881024.db2.gz ZPBHLNPKNCYUSY-STQMWFEESA-N 1 2 339.505 3.754 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000780430226 1135897679 /nfs/dbraw/zinc/89/76/79/1135897679.db2.gz OSGJPUNGHNVSKL-UNMCSNQZSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000780430226 1135897683 /nfs/dbraw/zinc/89/76/83/1135897683.db2.gz OSGJPUNGHNVSKL-UNMCSNQZSA-N 1 2 334.463 3.872 20 0 EHADLO Cc1ccc(N(C)C(=O)c2cccc3[nH+]ccn32)cc1Br ZINC000775956864 1135900217 /nfs/dbraw/zinc/90/02/17/1135900217.db2.gz RGGXUSSVVPEXBM-UHFFFAOYSA-N 1 2 344.212 3.682 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)s1 ZINC000810128089 1135924540 /nfs/dbraw/zinc/92/45/40/1135924540.db2.gz JYSPBWZHZTZGCB-CHWSQXEVSA-N 1 2 344.484 3.775 20 0 EHADLO Fc1c(Cl)cccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137963409 1135937616 /nfs/dbraw/zinc/93/76/16/1135937616.db2.gz IAFLVIORLLDIIF-CQSZACIVSA-N 1 2 332.797 3.785 20 0 EHADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc2ccccc2s1 ZINC000810229199 1135941038 /nfs/dbraw/zinc/94/10/38/1135941038.db2.gz ALXMYWCJLLIAOG-NSHDSACASA-N 1 2 337.408 3.827 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810262561 1135944533 /nfs/dbraw/zinc/94/45/33/1135944533.db2.gz SPQCRBYQHYOWMA-KDOFPFPSSA-N 1 2 338.455 3.655 20 0 EHADLO Fc1ccc(Br)cc1C[NH2+]Cc1cccnc1Cl ZINC000105416893 1135946389 /nfs/dbraw/zinc/94/63/89/1135946389.db2.gz KGWSNGQGLFLUKB-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000794435440 1135956778 /nfs/dbraw/zinc/95/67/78/1135956778.db2.gz NIBWXJMCYSFCFV-HNNXBMFYSA-N 1 2 340.858 3.963 20 0 EHADLO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(F)c1F ZINC001137964758 1135959001 /nfs/dbraw/zinc/95/90/01/1135959001.db2.gz NEQYBPYKYFATTF-UHFFFAOYSA-N 1 2 328.403 3.572 20 0 EHADLO Cc1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(F)c1F ZINC001137964758 1135959004 /nfs/dbraw/zinc/95/90/04/1135959004.db2.gz NEQYBPYKYFATTF-UHFFFAOYSA-N 1 2 328.403 3.572 20 0 EHADLO CCC(CC)(CNC(=O)C(F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378871 1135960317 /nfs/dbraw/zinc/96/03/17/1135960317.db2.gz JOGRDEQWUZCXSX-JSGCOSHPSA-N 1 2 348.384 3.913 20 0 EHADLO CCC(CC)(CNC(=O)[C@H](F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378871 1135960319 /nfs/dbraw/zinc/96/03/19/1135960319.db2.gz JOGRDEQWUZCXSX-JSGCOSHPSA-N 1 2 348.384 3.913 20 0 EHADLO Fc1ccc(NC(=S)Nc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC001200917688 1135965544 /nfs/dbraw/zinc/96/55/44/1135965544.db2.gz DYUVWQUWZVOSJZ-UHFFFAOYSA-N 1 2 330.363 3.959 20 0 EHADLO CCCCCCNC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001200946133 1135971713 /nfs/dbraw/zinc/97/17/13/1135971713.db2.gz VXTJSASALZRBAI-FMIVXFBMSA-N 1 2 345.556 3.772 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1cc(Cl)ccc1Cl ZINC001201083782 1135986496 /nfs/dbraw/zinc/98/64/96/1135986496.db2.gz KWSQBBLEDRGQIC-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO C[C@@H](C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1cccc(Cl)c1 ZINC001132404597 1135994279 /nfs/dbraw/zinc/99/42/79/1135994279.db2.gz KCBGHGSQEZECJT-FZKQIMNGSA-N 1 2 328.843 3.746 20 0 EHADLO C[C@@H](C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1cccc(Cl)c1 ZINC001132404597 1135994281 /nfs/dbraw/zinc/99/42/81/1135994281.db2.gz KCBGHGSQEZECJT-FZKQIMNGSA-N 1 2 328.843 3.746 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810695746 1135997559 /nfs/dbraw/zinc/99/75/59/1135997559.db2.gz HTKBQIWSCGNYME-PXNSSMCTSA-N 1 2 326.440 3.699 20 0 EHADLO Cc1cc(C)cc(NC(=S)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001201218259 1135999183 /nfs/dbraw/zinc/99/91/83/1135999183.db2.gz XMBAQWGUGHAGJH-MRXNPFEDSA-N 1 2 340.496 3.654 20 0 EHADLO COC(=O)c1cccc(Oc2ccccc2Nc2ccc(N)[nH+]c2)c1 ZINC001201286904 1136001155 /nfs/dbraw/zinc/00/11/55/1136001155.db2.gz GYLLWBYAQGNMML-UHFFFAOYSA-N 1 2 335.363 3.986 20 0 EHADLO CCOc1ccc(Nc2ccc(N)[nH+]c2)c(NC(=O)OC(C)(C)C)n1 ZINC001201278506 1136003505 /nfs/dbraw/zinc/00/35/05/1136003505.db2.gz CJTHUZKVAVURCK-UHFFFAOYSA-N 1 2 345.403 3.548 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)c(Br)c1 ZINC000776169091 1136020504 /nfs/dbraw/zinc/02/05/04/1136020504.db2.gz KHVYFTVBZZGLPH-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO COc1nc2ccccc2cc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC001201587219 1136043690 /nfs/dbraw/zinc/04/36/90/1136043690.db2.gz OTTYWSUDQOQQNB-UHFFFAOYSA-N 1 2 325.437 3.867 20 0 EHADLO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001132623034 1136047252 /nfs/dbraw/zinc/04/72/52/1136047252.db2.gz SCIVRSYTHXGDAR-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001132623034 1136047255 /nfs/dbraw/zinc/04/72/55/1136047255.db2.gz SCIVRSYTHXGDAR-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001132624330 1136047319 /nfs/dbraw/zinc/04/73/19/1136047319.db2.gz WENBXGQXUYSLRS-FQEVSTJZSA-N 1 2 349.409 3.599 20 0 EHADLO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001132624330 1136047322 /nfs/dbraw/zinc/04/73/22/1136047322.db2.gz WENBXGQXUYSLRS-FQEVSTJZSA-N 1 2 349.409 3.599 20 0 EHADLO O=C1C[N@@H+](CCCc2ccccc2)CCN1c1cccc(Cl)c1 ZINC001201671195 1136049526 /nfs/dbraw/zinc/04/95/26/1136049526.db2.gz AYZSPEVRTHOSIL-UHFFFAOYSA-N 1 2 328.843 3.621 20 0 EHADLO O=C1C[N@H+](CCCc2ccccc2)CCN1c1cccc(Cl)c1 ZINC001201671195 1136049529 /nfs/dbraw/zinc/04/95/29/1136049529.db2.gz AYZSPEVRTHOSIL-UHFFFAOYSA-N 1 2 328.843 3.621 20 0 EHADLO c1cc(C2CC2)ccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001201684362 1136056463 /nfs/dbraw/zinc/05/64/63/1136056463.db2.gz PYTQRHIGTFLNBO-UHFFFAOYSA-N 1 2 349.478 3.828 20 0 EHADLO CCOCCCCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000867433038 1136099204 /nfs/dbraw/zinc/09/92/04/1136099204.db2.gz LCHHQEQCYFMGEZ-MRXNPFEDSA-N 1 2 338.517 3.550 20 0 EHADLO O=C(c1c[nH]c2cc[nH+]cc12)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001152969584 1136122401 /nfs/dbraw/zinc/12/24/01/1136122401.db2.gz XTZTVZUBGHXOTA-FQEVSTJZSA-N 1 2 342.402 3.610 20 0 EHADLO O=C(c1c[nH]c2cc[nH+]cc12)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001152969585 1136122488 /nfs/dbraw/zinc/12/24/88/1136122488.db2.gz XTZTVZUBGHXOTA-HXUWFJFHSA-N 1 2 342.402 3.610 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccc(F)cc1 ZINC001202342959 1136126530 /nfs/dbraw/zinc/12/65/30/1136126530.db2.gz ZGGJJAMVUUOLRF-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccc(F)cc1 ZINC001202342959 1136126532 /nfs/dbraw/zinc/12/65/32/1136126532.db2.gz ZGGJJAMVUUOLRF-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO O=C1[C@@H](Cc2ccccc2)CCN1C[N@H+](Cc1cccs1)C1CC1 ZINC000811731172 1136131712 /nfs/dbraw/zinc/13/17/12/1136131712.db2.gz DCMJWZIHSPLJGG-QGZVFWFLSA-N 1 2 340.492 3.761 20 0 EHADLO O=C1[C@@H](Cc2ccccc2)CCN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000811731172 1136131714 /nfs/dbraw/zinc/13/17/14/1136131714.db2.gz DCMJWZIHSPLJGG-QGZVFWFLSA-N 1 2 340.492 3.761 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC001202366328 1136134137 /nfs/dbraw/zinc/13/41/37/1136134137.db2.gz PFDRPHSLGKTBPS-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777405 1136134362 /nfs/dbraw/zinc/13/43/62/1136134362.db2.gz FDHYPNNWNUWOGV-BXUZGUMPSA-N 1 2 328.790 3.548 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777405 1136134365 /nfs/dbraw/zinc/13/43/65/1136134365.db2.gz FDHYPNNWNUWOGV-BXUZGUMPSA-N 1 2 328.790 3.548 20 0 EHADLO C[C@H]1C[N@H+](CN2C(=S)N=NC2CCC2CCCC2)CCC1(F)F ZINC000811781276 1136134861 /nfs/dbraw/zinc/13/48/61/1136134861.db2.gz XBNKXWFCKHIGQN-LBPRGKRZSA-N 1 2 344.475 3.624 20 0 EHADLO C[C@H]1C[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)CCC1(F)F ZINC000811781276 1136134865 /nfs/dbraw/zinc/13/48/65/1136134865.db2.gz XBNKXWFCKHIGQN-LBPRGKRZSA-N 1 2 344.475 3.624 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@H](CC(C)C)C3)c(=O)cc2C)cc1 ZINC000811752498 1136135336 /nfs/dbraw/zinc/13/53/36/1136135336.db2.gz NBRHACZKBTXQNE-GOSISDBHSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](CC(C)C)C3)c(=O)cc2C)cc1 ZINC000811752498 1136135338 /nfs/dbraw/zinc/13/53/38/1136135338.db2.gz NBRHACZKBTXQNE-GOSISDBHSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000811783346 1136135500 /nfs/dbraw/zinc/13/55/00/1136135500.db2.gz QCOYYUXCEMQYTI-UHFFFAOYSA-N 1 2 348.809 3.962 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811763947 1136137228 /nfs/dbraw/zinc/13/72/28/1136137228.db2.gz MEZSSLKXZWZZFA-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811763947 1136137229 /nfs/dbraw/zinc/13/72/29/1136137229.db2.gz MEZSSLKXZWZZFA-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1(CC)CC ZINC001202397852 1136142369 /nfs/dbraw/zinc/14/23/69/1136142369.db2.gz XXAKDIJXQMIYNH-CVEARBPZSA-N 1 2 348.491 3.561 20 0 EHADLO C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1F ZINC001133033108 1136146509 /nfs/dbraw/zinc/14/65/09/1136146509.db2.gz QFSWALYCQMAGAI-HNAYVOBHSA-N 1 2 337.398 3.683 20 0 EHADLO CCOC(=O)/C(=C\c1cc(-n2cc[nH+]c2)cs1)c1ccnc(F)c1 ZINC000812248040 1136189479 /nfs/dbraw/zinc/18/94/79/1136189479.db2.gz ZSJOKOJDLPTDSF-DHDCSXOGSA-N 1 2 343.383 3.572 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000776447611 1136192529 /nfs/dbraw/zinc/19/25/29/1136192529.db2.gz IKCMLCDBSOVFDR-UHFFFAOYSA-N 1 2 344.374 3.619 20 0 EHADLO CC[N@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@H]1CCOC1 ZINC000812296663 1136196016 /nfs/dbraw/zinc/19/60/16/1136196016.db2.gz SLNMOZINMLHDRH-JTQLQIEISA-N 1 2 340.798 3.958 20 0 EHADLO CC[N@@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@H]1CCOC1 ZINC000812296663 1136196018 /nfs/dbraw/zinc/19/60/18/1136196018.db2.gz SLNMOZINMLHDRH-JTQLQIEISA-N 1 2 340.798 3.958 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncnn21 ZINC000850351822 1136239377 /nfs/dbraw/zinc/23/93/77/1136239377.db2.gz IVYFBSQFLMHYCM-QPUJVOFHSA-N 1 2 330.741 3.746 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1F ZINC000850362158 1136241078 /nfs/dbraw/zinc/24/10/78/1136241078.db2.gz IFQKRLFCKZPZBI-INIZCTEOSA-N 1 2 336.432 3.815 20 0 EHADLO Cn1cc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000851398097 1136376274 /nfs/dbraw/zinc/37/62/74/1136376274.db2.gz PZVZMVXLOZCHJC-UHFFFAOYSA-N 1 2 349.434 3.647 20 0 EHADLO CCOc1ccccc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398635 1136376346 /nfs/dbraw/zinc/37/63/46/1136376346.db2.gz WDSHXISDFILIKS-UHFFFAOYSA-N 1 2 340.423 3.554 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC2(CC2)C1 ZINC000851402157 1136376536 /nfs/dbraw/zinc/37/65/36/1136376536.db2.gz ULKXSUMYRDFISV-KRWDZBQOSA-N 1 2 328.456 3.812 20 0 EHADLO CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cc(OC)cc(OC)c1 ZINC000851474221 1136383416 /nfs/dbraw/zinc/38/34/16/1136383416.db2.gz VUJIBUXDFKFXOQ-CXAGYDPISA-N 1 2 332.400 3.546 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170725576 1136401347 /nfs/dbraw/zinc/40/13/47/1136401347.db2.gz ZVMJFOUWLOVSKN-RANZSIQMSA-N 1 2 345.483 3.669 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(F)nc1 ZINC000814177620 1136411262 /nfs/dbraw/zinc/41/12/62/1136411262.db2.gz IUDMVFAQHVLUMW-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(F)nc1 ZINC000814177620 1136411263 /nfs/dbraw/zinc/41/12/63/1136411263.db2.gz IUDMVFAQHVLUMW-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839386 1136412633 /nfs/dbraw/zinc/41/26/33/1136412633.db2.gz PQEBZAWPFCJGRN-QWHCGFSZSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839386 1136412636 /nfs/dbraw/zinc/41/26/36/1136412636.db2.gz PQEBZAWPFCJGRN-QWHCGFSZSA-N 1 2 349.272 3.856 20 0 EHADLO OCC[N@H+](Cc1ccc2c(c1)CCCC2)Cc1cccnc1Cl ZINC000814168923 1136414467 /nfs/dbraw/zinc/41/44/67/1136414467.db2.gz AYRSAKHKIXFEFY-UHFFFAOYSA-N 1 2 330.859 3.608 20 0 EHADLO OCC[N@@H+](Cc1ccc2c(c1)CCCC2)Cc1cccnc1Cl ZINC000814168923 1136414469 /nfs/dbraw/zinc/41/44/69/1136414469.db2.gz AYRSAKHKIXFEFY-UHFFFAOYSA-N 1 2 330.859 3.608 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(C4CC4)n(C)c3=S)C2)cc1 ZINC000814225055 1136425760 /nfs/dbraw/zinc/42/57/60/1136425760.db2.gz OLOKCASHNXKWAC-QGZVFWFLSA-N 1 2 342.512 3.838 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cn3nc(C4CC4)n(C)c3=S)C2)cc1 ZINC000814225055 1136425762 /nfs/dbraw/zinc/42/57/62/1136425762.db2.gz OLOKCASHNXKWAC-QGZVFWFLSA-N 1 2 342.512 3.838 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000852016836 1136427991 /nfs/dbraw/zinc/42/79/91/1136427991.db2.gz MJRHVUMLSDRCBZ-OOHWJJMZSA-N 1 2 344.434 3.588 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cc(Cl)ccc2Br)n1 ZINC000747925865 1136428240 /nfs/dbraw/zinc/42/82/40/1136428240.db2.gz KCTKIBSDGAOCQF-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000852044616 1136429219 /nfs/dbraw/zinc/42/92/19/1136429219.db2.gz FEFITUUADCRGKW-PBHICJAKSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000852044616 1136429221 /nfs/dbraw/zinc/42/92/21/1136429221.db2.gz FEFITUUADCRGKW-PBHICJAKSA-N 1 2 349.475 3.514 20 0 EHADLO CCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173222160 1136450468 /nfs/dbraw/zinc/45/04/68/1136450468.db2.gz OIWNBVBWCICTBC-VHSXEESVSA-N 1 2 337.411 3.507 20 0 EHADLO CCCc1nc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)cs1 ZINC000338945263 1136453937 /nfs/dbraw/zinc/45/39/37/1136453937.db2.gz UXHDCLLFYBLFNM-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO CCCc1nc(C[N@@H+](CC)C[C@H]2COc3ccccc3O2)cs1 ZINC000338945263 1136453939 /nfs/dbraw/zinc/45/39/39/1136453939.db2.gz UXHDCLLFYBLFNM-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO COc1cc(N2CC[NH+](Cc3cnc(C(C)C)s3)CC2)ccc1F ZINC000338948910 1136471042 /nfs/dbraw/zinc/47/10/42/1136471042.db2.gz KSCSGXBJDIGIMO-UHFFFAOYSA-N 1 2 349.475 3.736 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnsc1Cl)[C@H](O)c1ccc(Cl)cc1 ZINC000852731926 1136481830 /nfs/dbraw/zinc/48/18/30/1136481830.db2.gz NXWGEFJUOKPMEQ-QWHCGFSZSA-N 1 2 346.283 3.693 20 0 EHADLO CC1(C)C[C@]1([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000852772344 1136485036 /nfs/dbraw/zinc/48/50/36/1136485036.db2.gz JFPYYXPSANYZRO-NRFANRHFSA-N 1 2 332.451 3.741 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1c(C)cc(C)cc1C)C[NH2+]C2(C)C ZINC001170757624 1136491370 /nfs/dbraw/zinc/49/13/70/1136491370.db2.gz YUDCBKCAEHRKLV-UHFFFAOYSA-N 1 2 342.443 3.895 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000111173497 1136519003 /nfs/dbraw/zinc/51/90/03/1136519003.db2.gz AOIRUYYXSPIVSC-NSHDSACASA-N 1 2 330.379 3.634 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000111173497 1136519005 /nfs/dbraw/zinc/51/90/05/1136519005.db2.gz AOIRUYYXSPIVSC-NSHDSACASA-N 1 2 330.379 3.634 20 0 EHADLO CCc1nn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000853497976 1136538508 /nfs/dbraw/zinc/53/85/08/1136538508.db2.gz IZKFFFQLGZPDSZ-CYBMUJFWSA-N 1 2 327.519 3.618 20 0 EHADLO CCc1nn(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000853497976 1136538510 /nfs/dbraw/zinc/53/85/10/1136538510.db2.gz IZKFFFQLGZPDSZ-CYBMUJFWSA-N 1 2 327.519 3.618 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[NH+]1CCC(c2ccsc2)CC1 ZINC000853507755 1136539225 /nfs/dbraw/zinc/53/92/25/1136539225.db2.gz ZIMPPCIQJNDDGV-UHFFFAOYSA-N 1 2 348.418 3.819 20 0 EHADLO CCc1nn(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(=S)s1 ZINC000853511809 1136539632 /nfs/dbraw/zinc/53/96/32/1136539632.db2.gz UDZPWNORIYCFPN-GZMMTYOYSA-N 1 2 338.329 3.710 20 0 EHADLO CCc1nn(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(=S)s1 ZINC000853511809 1136539634 /nfs/dbraw/zinc/53/96/34/1136539634.db2.gz UDZPWNORIYCFPN-GZMMTYOYSA-N 1 2 338.329 3.710 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2cccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000815056019 1136540789 /nfs/dbraw/zinc/54/07/89/1136540789.db2.gz YGHOJWMCTIVRPR-ZLIFDBKOSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000815056019 1136540790 /nfs/dbraw/zinc/54/07/90/1136540790.db2.gz YGHOJWMCTIVRPR-ZLIFDBKOSA-N 1 2 339.357 3.525 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853588782 1136546723 /nfs/dbraw/zinc/54/67/23/1136546723.db2.gz GRGLZXIEUQHYIG-MRXNPFEDSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853588782 1136546726 /nfs/dbraw/zinc/54/67/26/1136546726.db2.gz GRGLZXIEUQHYIG-MRXNPFEDSA-N 1 2 341.430 3.519 20 0 EHADLO Nc1[nH+]cccc1COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000853639008 1136551764 /nfs/dbraw/zinc/55/17/64/1136551764.db2.gz FCZOOBKWGMLVSE-UHFFFAOYSA-N 1 2 336.391 3.618 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000815127217 1136554609 /nfs/dbraw/zinc/55/46/09/1136554609.db2.gz ZDNFGTJTKFYTEB-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO Cc1ccc2nc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2c1 ZINC000815097724 1136555610 /nfs/dbraw/zinc/55/56/10/1136555610.db2.gz OCZRPWXILCZCLD-SFHVURJKSA-N 1 2 336.439 3.584 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000854155132 1136593435 /nfs/dbraw/zinc/59/34/35/1136593435.db2.gz GONMSZFDWYDIRI-RYUDHWBXSA-N 1 2 347.312 3.572 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)(C)c2cccc3ccccc32)no1 ZINC000854158928 1136593496 /nfs/dbraw/zinc/59/34/96/1136593496.db2.gz JYKGZGHRGRPCPJ-KRWDZBQOSA-N 1 2 339.439 3.974 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1ncc(Cl)c(Cl)c1=O ZINC000112694840 1136647453 /nfs/dbraw/zinc/64/74/53/1136647453.db2.gz PWQKDIXUGSCJIE-OAHLLOKOSA-N 1 2 340.254 3.837 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1ncc(Cl)c(Cl)c1=O ZINC000112694840 1136647455 /nfs/dbraw/zinc/64/74/55/1136647455.db2.gz PWQKDIXUGSCJIE-OAHLLOKOSA-N 1 2 340.254 3.837 20 0 EHADLO O=c1sc2c(n1C[NH+]1CCC(c3ccsc3)CC1)CCCC2 ZINC000776781314 1136664801 /nfs/dbraw/zinc/66/48/01/1136664801.db2.gz BTMVKMOTGKLVOJ-UHFFFAOYSA-N 1 2 334.510 3.687 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000113246387 1136688377 /nfs/dbraw/zinc/68/83/77/1136688377.db2.gz DRMIDEAAQRJEAU-GOSISDBHSA-N 1 2 330.501 3.754 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000113246387 1136688379 /nfs/dbraw/zinc/68/83/79/1136688379.db2.gz DRMIDEAAQRJEAU-GOSISDBHSA-N 1 2 330.501 3.754 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCCC2=O ZINC000338972113 1136692547 /nfs/dbraw/zinc/69/25/47/1136692547.db2.gz KKXQZBXIVHMQDZ-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc2[nH+]ccn21 ZINC000776811575 1136694106 /nfs/dbraw/zinc/69/41/06/1136694106.db2.gz OFLQJKVPSSOMLO-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824319 1136714256 /nfs/dbraw/zinc/71/42/56/1136714256.db2.gz NHRKSDHOVHIFNF-UXHICEINSA-N 1 2 344.499 3.797 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824319 1136714257 /nfs/dbraw/zinc/71/42/57/1136714257.db2.gz NHRKSDHOVHIFNF-UXHICEINSA-N 1 2 344.499 3.797 20 0 EHADLO CN(Cc1cccc(Cl)c1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135641376 1136740208 /nfs/dbraw/zinc/74/02/08/1136740208.db2.gz CGLKFYUFVCBDDL-UHFFFAOYSA-N 1 2 341.798 3.504 20 0 EHADLO O=C(NCCCc1cccc(C(F)(F)F)c1)c1cccc2[nH+]ccn21 ZINC000776853532 1136747527 /nfs/dbraw/zinc/74/75/27/1136747527.db2.gz SNMMZJIYZNAVNM-UHFFFAOYSA-N 1 2 347.340 3.716 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2sccc2F)C[C@H](C)O1 ZINC000338986602 1136754176 /nfs/dbraw/zinc/75/41/76/1136754176.db2.gz DRXRMGVJPDUDMT-STQMWFEESA-N 1 2 348.443 3.749 20 0 EHADLO CCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000816915551 1136765732 /nfs/dbraw/zinc/76/57/32/1136765732.db2.gz CNZRJBKJVKSOBK-ZDUSSCGKSA-N 1 2 325.334 3.629 20 0 EHADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1NC(=O)OC(C)(C)C ZINC000856372946 1136782084 /nfs/dbraw/zinc/78/20/84/1136782084.db2.gz RLLMZDSCTHJRET-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO CCC1(CC)CCN(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)C1=O ZINC000817359686 1136802919 /nfs/dbraw/zinc/80/29/19/1136802919.db2.gz BMCJYNCBLOUQCF-HNNXBMFYSA-N 1 2 335.517 3.757 20 0 EHADLO CCC1(CC)CCN(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)C1=O ZINC000817359686 1136802923 /nfs/dbraw/zinc/80/29/23/1136802923.db2.gz BMCJYNCBLOUQCF-HNNXBMFYSA-N 1 2 335.517 3.757 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114782182 1136832802 /nfs/dbraw/zinc/83/28/02/1136832802.db2.gz ZSPCTCSFSHMTDD-ZWKOTPCHSA-N 1 2 346.519 3.829 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001136051151 1136844762 /nfs/dbraw/zinc/84/47/62/1136844762.db2.gz SNKLFLPLXQWPNB-LJQANCHMSA-N 1 2 338.451 3.645 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001136051151 1136844764 /nfs/dbraw/zinc/84/47/64/1136844764.db2.gz SNKLFLPLXQWPNB-LJQANCHMSA-N 1 2 338.451 3.645 20 0 EHADLO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]c1ccc2c(c1)CCN2 ZINC000817949068 1136850334 /nfs/dbraw/zinc/85/03/34/1136850334.db2.gz HEODTQWJISBRNM-LLVKDONJSA-N 1 2 330.819 3.532 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000818214688 1136866774 /nfs/dbraw/zinc/86/67/74/1136866774.db2.gz IYTZJMHPFOYDIX-SNVBAGLBSA-N 1 2 340.345 3.641 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)n1 ZINC000818344210 1136873400 /nfs/dbraw/zinc/87/34/00/1136873400.db2.gz KPTFUDJMBYCJPI-QGZVFWFLSA-N 1 2 328.460 3.733 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512937 1136903178 /nfs/dbraw/zinc/90/31/78/1136903178.db2.gz POEHNDAZEOIQLJ-YLJYHZDGSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512937 1136903181 /nfs/dbraw/zinc/90/31/81/1136903181.db2.gz POEHNDAZEOIQLJ-YLJYHZDGSA-N 1 2 345.446 3.746 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@H]3CCn4c[nH+]cc43)sc2c1 ZINC000857984999 1136927332 /nfs/dbraw/zinc/92/73/32/1136927332.db2.gz FLNWWHBJMNLRMH-NSHDSACASA-N 1 2 331.828 3.934 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985090 1136927567 /nfs/dbraw/zinc/92/75/67/1136927567.db2.gz GOHITSYDQPYAJV-IINYFYTJSA-N 1 2 338.238 3.630 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@@H]3CCn4c[nH+]cc43)c(Cl)c21 ZINC000857988601 1136927585 /nfs/dbraw/zinc/92/75/85/1136927585.db2.gz HJRLYBJFUZNKOI-SNVBAGLBSA-N 1 2 331.828 3.934 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000857983511 1136927595 /nfs/dbraw/zinc/92/75/95/1136927595.db2.gz BCSWPVVFBUHOMZ-INIZCTEOSA-N 1 2 343.858 3.901 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000858036641 1136934575 /nfs/dbraw/zinc/93/45/75/1136934575.db2.gz PVNMAZVZWCBOLA-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000858036641 1136934577 /nfs/dbraw/zinc/93/45/77/1136934577.db2.gz PVNMAZVZWCBOLA-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO CCc1noc(-c2ccc(C)c(NC(=O)c3cccc4[nH+]ccn43)c2)n1 ZINC000777001419 1136941884 /nfs/dbraw/zinc/94/18/84/1136941884.db2.gz XDUZIMCRCQLUPQ-UHFFFAOYSA-N 1 2 347.378 3.507 20 0 EHADLO CON(C)C(=O)CC[NH2+]c1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000819422471 1136943409 /nfs/dbraw/zinc/94/34/09/1136943409.db2.gz XCIRUZOWUWKCAV-HNNXBMFYSA-N 1 2 327.428 3.682 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H](C)c2cccc(F)c2)c1C ZINC000116008882 1136956844 /nfs/dbraw/zinc/95/68/44/1136956844.db2.gz FBUWFWRRDMWTFH-LBPRGKRZSA-N 1 2 330.403 3.656 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000858315712 1136957612 /nfs/dbraw/zinc/95/76/12/1136957612.db2.gz WEDZDYMZHWNUMG-LBPRGKRZSA-N 1 2 348.661 3.594 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858363047 1136961907 /nfs/dbraw/zinc/96/19/07/1136961907.db2.gz DUWNCSJCMVPEIR-HNNXBMFYSA-N 1 2 341.455 3.976 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)sc1-c1ccccc1 ZINC001136302727 1136976579 /nfs/dbraw/zinc/97/65/79/1136976579.db2.gz VRMFAQLRVUAZEU-NSHDSACASA-N 1 2 326.425 3.659 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sc1-c1ccccc1 ZINC001136302727 1136976582 /nfs/dbraw/zinc/97/65/82/1136976582.db2.gz VRMFAQLRVUAZEU-NSHDSACASA-N 1 2 326.425 3.659 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728081 1136989029 /nfs/dbraw/zinc/98/90/29/1136989029.db2.gz UYNZYGXBPWVFTG-AEFFLSMTSA-N 1 2 327.472 3.601 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCc2c1cccc2Cl)n1cc[nH+]c1 ZINC001136387112 1137006846 /nfs/dbraw/zinc/00/68/46/1137006846.db2.gz XLRZXAUBWXROTR-DLBZAZTESA-N 1 2 331.847 3.927 20 0 EHADLO CC1=CC[C@](C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001136385607 1137008624 /nfs/dbraw/zinc/00/86/24/1137008624.db2.gz ALXPMGSCSNYKTL-NRFANRHFSA-N 1 2 341.499 3.509 20 0 EHADLO CC(C)CC1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000820895763 1137010463 /nfs/dbraw/zinc/01/04/63/1137010463.db2.gz IUKTVKCFZZYEFN-AWEZNQCLSA-N 1 2 331.382 3.661 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367725 1137024915 /nfs/dbraw/zinc/02/49/15/1137024915.db2.gz FKFINSQXECWZHH-ZENOOKHLSA-N 1 2 330.255 3.934 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367725 1137024917 /nfs/dbraw/zinc/02/49/17/1137024917.db2.gz FKFINSQXECWZHH-ZENOOKHLSA-N 1 2 330.255 3.934 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000859937674 1137037801 /nfs/dbraw/zinc/03/78/01/1137037801.db2.gz JYVOATVYTQRPEF-INIZCTEOSA-N 1 2 337.341 3.763 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000859937674 1137037803 /nfs/dbraw/zinc/03/78/03/1137037803.db2.gz JYVOATVYTQRPEF-INIZCTEOSA-N 1 2 337.341 3.763 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)OC(C)(C)C ZINC000860099417 1137044379 /nfs/dbraw/zinc/04/43/79/1137044379.db2.gz CTNNXXYPFRDOLA-LBPRGKRZSA-N 1 2 335.473 3.641 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)OC(C)(C)C ZINC000860099417 1137044380 /nfs/dbraw/zinc/04/43/80/1137044380.db2.gz CTNNXXYPFRDOLA-LBPRGKRZSA-N 1 2 335.473 3.641 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2ccc(SC3CC3)cc2)c[nH+]1 ZINC000822017503 1137046060 /nfs/dbraw/zinc/04/60/60/1137046060.db2.gz OCHMQSXSGUTHQF-UHFFFAOYSA-N 1 2 326.465 3.812 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000117485976 1137060628 /nfs/dbraw/zinc/06/06/28/1137060628.db2.gz FZEFKKVUANLPFK-GOSISDBHSA-N 1 2 326.444 3.592 20 0 EHADLO CCOCc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822740885 1137072509 /nfs/dbraw/zinc/07/25/09/1137072509.db2.gz UCVYEQWDKXNAAM-GOSISDBHSA-N 1 2 335.407 3.508 20 0 EHADLO C[C@H](Cc1cccs1)NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001136640780 1137077107 /nfs/dbraw/zinc/07/71/07/1137077107.db2.gz KOZZPCRGOOGUPD-CQSZACIVSA-N 1 2 337.448 3.670 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc3c(s2)c(C)ccc3C)c[nH+]1 ZINC001136665078 1137084154 /nfs/dbraw/zinc/08/41/54/1137084154.db2.gz BVFNSCUSNPOSBR-UHFFFAOYSA-N 1 2 328.441 3.792 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC(CC(C)C)CC(C)C)cc1 ZINC001136679843 1137089431 /nfs/dbraw/zinc/08/94/31/1137089431.db2.gz IHCKHMNXQBXMNJ-HXUWFJFHSA-N 1 2 346.515 3.847 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC(CC(C)C)CC(C)C)cc1 ZINC001136679843 1137089432 /nfs/dbraw/zinc/08/94/32/1137089432.db2.gz IHCKHMNXQBXMNJ-HXUWFJFHSA-N 1 2 346.515 3.847 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccsc2Cl)n1 ZINC000823223852 1137091383 /nfs/dbraw/zinc/09/13/83/1137091383.db2.gz BAASGNPFGCXEPU-UHFFFAOYSA-N 1 2 329.878 3.952 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000823317141 1137093768 /nfs/dbraw/zinc/09/37/68/1137093768.db2.gz KQIBDXXDYGCAJR-ZQIUZPCESA-N 1 2 339.430 3.630 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@H](C)[C@@H]3CCCO3)c2)[nH+]c1C ZINC000823353410 1137095959 /nfs/dbraw/zinc/09/59/59/1137095959.db2.gz NGGKUQJRDGKKDF-SJCJKPOMSA-N 1 2 327.428 3.837 20 0 EHADLO COC(=O)c1ccccc1OCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001171018511 1137102113 /nfs/dbraw/zinc/10/21/13/1137102113.db2.gz PXZVOFFBJYRGDM-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1ccccc1OCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001171018511 1137102114 /nfs/dbraw/zinc/10/21/14/1137102114.db2.gz PXZVOFFBJYRGDM-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO CN(CCO)c1ccc([NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000823537338 1137103591 /nfs/dbraw/zinc/10/35/91/1137103591.db2.gz GBSNNZSZUJFQAT-UHFFFAOYSA-N 1 2 332.488 3.797 20 0 EHADLO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC[NH+]1CCC1 ZINC000861387105 1137104236 /nfs/dbraw/zinc/10/42/36/1137104236.db2.gz VNZYSHKLZBJESW-UHFFFAOYSA-N 1 2 342.873 3.696 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC001136761142 1137110715 /nfs/dbraw/zinc/11/07/15/1137110715.db2.gz CMXQOJXYYSOZBC-UHFFFAOYSA-N 1 2 347.418 3.842 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)ncc1F)c1cccc(C(F)(F)F)c1 ZINC000823861217 1137116726 /nfs/dbraw/zinc/11/67/26/1137116726.db2.gz ZXBVBYUNIFJCNM-AWEZNQCLSA-N 1 2 346.299 3.856 20 0 EHADLO CS[C@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136793200 1137118739 /nfs/dbraw/zinc/11/87/39/1137118739.db2.gz YOZKAZBASWXDBN-CVEARBPZSA-N 1 2 341.480 3.651 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(SC(F)(F)F)nc2)c[nH+]1 ZINC000861933393 1137125365 /nfs/dbraw/zinc/12/53/65/1137125365.db2.gz LTLBKTBRYIDGES-UHFFFAOYSA-N 1 2 341.358 3.635 20 0 EHADLO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000824292415 1137130877 /nfs/dbraw/zinc/13/08/77/1137130877.db2.gz PGALBNYENPEFLN-GFCCVEGCSA-N 1 2 346.283 3.724 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)c(F)cc1OC ZINC000862214947 1137132440 /nfs/dbraw/zinc/13/24/40/1137132440.db2.gz ABKXESQBAWEIOJ-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(F)cc1OC ZINC000862214947 1137132441 /nfs/dbraw/zinc/13/24/41/1137132441.db2.gz ABKXESQBAWEIOJ-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136857561 1137132638 /nfs/dbraw/zinc/13/26/38/1137132638.db2.gz COPCRMYRRGKLAP-UHFFFAOYSA-N 1 2 332.753 3.711 20 0 EHADLO O=C([C@H]1CCCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1)N1CCCC1 ZINC001136862599 1137134030 /nfs/dbraw/zinc/13/40/30/1137134030.db2.gz RSRDXDWKPZOYFI-GOSISDBHSA-N 1 2 345.874 3.798 20 0 EHADLO O=C([C@H]1CCCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1)N1CCCC1 ZINC001136862599 1137134031 /nfs/dbraw/zinc/13/40/31/1137134031.db2.gz RSRDXDWKPZOYFI-GOSISDBHSA-N 1 2 345.874 3.798 20 0 EHADLO Clc1cccc2c1CC[C@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001171056006 1137138213 /nfs/dbraw/zinc/13/82/13/1137138213.db2.gz JMOHZAATQQILEV-QFBILLFUSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1CC[C@H]([N@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001171056006 1137138214 /nfs/dbraw/zinc/13/82/14/1137138214.db2.gz JMOHZAATQQILEV-QFBILLFUSA-N 1 2 328.843 3.666 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccnc(F)c3C)n2)cc1 ZINC000862341361 1137139036 /nfs/dbraw/zinc/13/90/36/1137139036.db2.gz VHIOQLILQVMCNR-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1nc(C(C)C)ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000339037742 1137144372 /nfs/dbraw/zinc/14/43/72/1137144372.db2.gz VPAQKRHDMHTDKC-UHFFFAOYSA-N 1 2 339.483 3.537 20 0 EHADLO Cc1c(C[N@@H+]2Cc3ccc(O)cc3C2)sc2nc(C)nc(C)c12 ZINC000862450114 1137145279 /nfs/dbraw/zinc/14/52/79/1137145279.db2.gz OIRAJPQFXHRTCV-UHFFFAOYSA-N 1 2 325.437 3.838 20 0 EHADLO Cc1c(C[N@H+]2Cc3ccc(O)cc3C2)sc2nc(C)nc(C)c12 ZINC000862450114 1137145281 /nfs/dbraw/zinc/14/52/81/1137145281.db2.gz OIRAJPQFXHRTCV-UHFFFAOYSA-N 1 2 325.437 3.838 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000825005982 1137160089 /nfs/dbraw/zinc/16/00/89/1137160089.db2.gz WWNMVQARMXJVID-GFCCVEGCSA-N 1 2 346.866 3.733 20 0 EHADLO Cc1cc(NCCNC(=O)c2c(C)cccc2Cl)nc(C(C)C)[nH+]1 ZINC000862860979 1137161660 /nfs/dbraw/zinc/16/16/60/1137161660.db2.gz WZIVUGYSWRIBBM-UHFFFAOYSA-N 1 2 346.862 3.712 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)c2nccn21 ZINC000825016935 1137162003 /nfs/dbraw/zinc/16/20/03/1137162003.db2.gz JRASNIJSSBAXNX-WFASDCNBSA-N 1 2 341.846 3.733 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979871 1137162399 /nfs/dbraw/zinc/16/23/99/1137162399.db2.gz UNSXRMHKSLBYBG-UHFFFAOYSA-N 1 2 345.418 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979871 1137162400 /nfs/dbraw/zinc/16/24/00/1137162400.db2.gz UNSXRMHKSLBYBG-UHFFFAOYSA-N 1 2 345.418 3.502 20 0 EHADLO CCc1nc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)co1 ZINC000825050786 1137163435 /nfs/dbraw/zinc/16/34/35/1137163435.db2.gz SGYPINMHWXHSPG-UHFFFAOYSA-N 1 2 346.381 3.608 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)o1 ZINC000825078753 1137164576 /nfs/dbraw/zinc/16/45/76/1137164576.db2.gz CFSFHVFCBIHISZ-UHFFFAOYSA-N 1 2 330.819 3.581 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(F)cc(F)c1 ZINC000825072518 1137164614 /nfs/dbraw/zinc/16/46/14/1137164614.db2.gz GUORBVIVTMCRJX-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO O=C1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@@H]1F ZINC001171074444 1137166886 /nfs/dbraw/zinc/16/68/86/1137166886.db2.gz QPTOFTXAFMPXSA-WFASDCNBSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@@H]1F ZINC001171074444 1137166887 /nfs/dbraw/zinc/16/68/87/1137166887.db2.gz QPTOFTXAFMPXSA-WFASDCNBSA-N 1 2 330.230 3.854 20 0 EHADLO Clc1cncc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c1 ZINC001136996597 1137168350 /nfs/dbraw/zinc/16/83/50/1137168350.db2.gz RASWIBLLDBUBIQ-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO COc1ncc(C[N@H+](Cc2cc(C)no2)Cc2ccccc2)cc1C ZINC001137007366 1137170120 /nfs/dbraw/zinc/17/01/20/1137170120.db2.gz BCPJBZOQKSXIPU-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO COc1ncc(C[N@@H+](Cc2cc(C)no2)Cc2ccccc2)cc1C ZINC001137007366 1137170121 /nfs/dbraw/zinc/17/01/21/1137170121.db2.gz BCPJBZOQKSXIPU-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO CC(C)C[C@@H](C(=O)NC1CCC(OC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000825244003 1137170322 /nfs/dbraw/zinc/17/03/22/1137170322.db2.gz DXNCVHFVLNDUNR-JCYILVPMSA-N 1 2 335.492 3.713 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccnn1C1CCCC1 ZINC000825412425 1137177293 /nfs/dbraw/zinc/17/72/93/1137177293.db2.gz JYTHPKNQEQVLNS-QGZVFWFLSA-N 1 2 349.438 3.882 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1Cl ZINC001143363375 1137182583 /nfs/dbraw/zinc/18/25/83/1137182583.db2.gz SLTNPLPWWVCPCJ-UHFFFAOYSA-N 1 2 349.780 3.878 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)n1 ZINC001143627130 1137183852 /nfs/dbraw/zinc/18/38/52/1137183852.db2.gz CNKQGMLAZOGRQM-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1C(F)(F)F ZINC001143644824 1137185978 /nfs/dbraw/zinc/18/59/78/1137185978.db2.gz KWIUTIXFKNNDFU-HNNXBMFYSA-N 1 2 337.345 3.841 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1C(F)(F)F ZINC001143644824 1137185979 /nfs/dbraw/zinc/18/59/79/1137185979.db2.gz KWIUTIXFKNNDFU-HNNXBMFYSA-N 1 2 337.345 3.841 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000119460850 1137186738 /nfs/dbraw/zinc/18/67/38/1137186738.db2.gz AIDMGACAHBWREI-ZDUSSCGKSA-N 1 2 329.473 3.500 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000119460850 1137186739 /nfs/dbraw/zinc/18/67/39/1137186739.db2.gz AIDMGACAHBWREI-ZDUSSCGKSA-N 1 2 329.473 3.500 20 0 EHADLO COCCCCNc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000863690444 1137199431 /nfs/dbraw/zinc/19/94/31/1137199431.db2.gz QCPOENIZHZGEBC-UHFFFAOYSA-N 1 2 336.439 3.832 20 0 EHADLO CCOC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143818264 1137201372 /nfs/dbraw/zinc/20/13/72/1137201372.db2.gz FAHVTZHGZNYBLX-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001171111092 1137204277 /nfs/dbraw/zinc/20/42/77/1137204277.db2.gz UNLYEABEFJRZGT-CYBMUJFWSA-N 1 2 339.370 3.971 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143839257 1137204775 /nfs/dbraw/zinc/20/47/75/1137204775.db2.gz KUNJRNLTHAFMDR-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143839257 1137204776 /nfs/dbraw/zinc/20/47/76/1137204776.db2.gz KUNJRNLTHAFMDR-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)cc1OC(F)(F)F ZINC001143878361 1137207896 /nfs/dbraw/zinc/20/78/96/1137207896.db2.gz DORGZCSWQNHWRL-CYBMUJFWSA-N 1 2 331.334 3.537 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@@H]2C(C)=O)cc1OC(F)(F)F ZINC001143878361 1137207897 /nfs/dbraw/zinc/20/78/97/1137207897.db2.gz DORGZCSWQNHWRL-CYBMUJFWSA-N 1 2 331.334 3.537 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2ccc(OC)c(F)c2F)CC1 ZINC001143915535 1137214743 /nfs/dbraw/zinc/21/47/43/1137214743.db2.gz JCXGLHSTIXPFPB-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1-n1cc[nH+]c1 ZINC001143934439 1137218285 /nfs/dbraw/zinc/21/82/85/1137218285.db2.gz VHNJFKYJIHDJBY-UHFFFAOYSA-N 1 2 349.287 3.989 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)n1cc[nH+]c1 ZINC000844379586 1137218421 /nfs/dbraw/zinc/21/84/21/1137218421.db2.gz VJHCPXXRFIXVKZ-ZDUSSCGKSA-N 1 2 332.835 3.727 20 0 EHADLO Cc1c(Br)cccc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844455851 1137221466 /nfs/dbraw/zinc/22/14/66/1137221466.db2.gz PUKMIBUMSRZNMM-NSHDSACASA-N 1 2 337.217 3.649 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CCC[C@H](C)CC3)c2=S)cc1 ZINC000794623014 1137221687 /nfs/dbraw/zinc/22/16/87/1137221687.db2.gz JYUDDUSSFWMOBA-AWEZNQCLSA-N 1 2 346.500 3.800 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CCC[C@H](C)CC3)c2=S)cc1 ZINC000794623014 1137221689 /nfs/dbraw/zinc/22/16/89/1137221689.db2.gz JYUDDUSSFWMOBA-AWEZNQCLSA-N 1 2 346.500 3.800 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441026 1137223598 /nfs/dbraw/zinc/22/35/98/1137223598.db2.gz YKHVKTYDEKTRFG-CXAGYDPISA-N 1 2 333.382 3.843 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441026 1137223599 /nfs/dbraw/zinc/22/35/99/1137223599.db2.gz YKHVKTYDEKTRFG-CXAGYDPISA-N 1 2 333.382 3.843 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000794683707 1137226186 /nfs/dbraw/zinc/22/61/86/1137226186.db2.gz PZGZLIVTCQLAFU-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000794683707 1137226187 /nfs/dbraw/zinc/22/61/87/1137226187.db2.gz PZGZLIVTCQLAFU-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO COC[C@H]1COCC[N@@H+]1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090705 1137236274 /nfs/dbraw/zinc/23/62/74/1137236274.db2.gz OXYXWQKIUGHJQM-SFHVURJKSA-N 1 2 327.424 3.635 20 0 EHADLO COC[C@H]1COCC[N@H+]1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090705 1137236276 /nfs/dbraw/zinc/23/62/76/1137236276.db2.gz OXYXWQKIUGHJQM-SFHVURJKSA-N 1 2 327.424 3.635 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000794705519 1137238583 /nfs/dbraw/zinc/23/85/83/1137238583.db2.gz JYGCYZDHBLMZPA-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000794705519 1137238584 /nfs/dbraw/zinc/23/85/84/1137238584.db2.gz JYGCYZDHBLMZPA-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144125503 1137242000 /nfs/dbraw/zinc/24/20/00/1137242000.db2.gz LFYGYXWLYHPNRZ-UHFFFAOYSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144135237 1137242729 /nfs/dbraw/zinc/24/27/29/1137242729.db2.gz UHXYIROLHOUFAK-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144135237 1137242730 /nfs/dbraw/zinc/24/27/30/1137242730.db2.gz UHXYIROLHOUFAK-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144129559 1137244169 /nfs/dbraw/zinc/24/41/69/1137244169.db2.gz LOPIQEJBJVOMGP-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144129559 1137244170 /nfs/dbraw/zinc/24/41/70/1137244170.db2.gz LOPIQEJBJVOMGP-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO CCC[C@H]([NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171147625 1137248271 /nfs/dbraw/zinc/24/82/71/1137248271.db2.gz HWXBOEZEVFLNFV-DOMZBBRYSA-N 1 2 330.255 3.782 20 0 EHADLO CCSc1nn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844748074 1137249464 /nfs/dbraw/zinc/24/94/64/1137249464.db2.gz OYVXMWDXXNGUCU-LLVKDONJSA-N 1 2 337.486 3.865 20 0 EHADLO CCSc1nn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844748074 1137249465 /nfs/dbraw/zinc/24/94/65/1137249465.db2.gz OYVXMWDXXNGUCU-LLVKDONJSA-N 1 2 337.486 3.865 20 0 EHADLO CC(C)Oc1nn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844747815 1137249583 /nfs/dbraw/zinc/24/95/83/1137249583.db2.gz NXVGAGKIWPTOER-GFCCVEGCSA-N 1 2 335.445 3.540 20 0 EHADLO CC(C)Oc1nn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844747815 1137249584 /nfs/dbraw/zinc/24/95/84/1137249584.db2.gz NXVGAGKIWPTOER-GFCCVEGCSA-N 1 2 335.445 3.540 20 0 EHADLO Fc1ccc2[nH]nc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)c2c1 ZINC001144196395 1137250028 /nfs/dbraw/zinc/25/00/28/1137250028.db2.gz FPFHAROYRLYRJS-INIZCTEOSA-N 1 2 325.387 3.745 20 0 EHADLO Fc1ccc2[nH]nc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)c2c1 ZINC001144196395 1137250029 /nfs/dbraw/zinc/25/00/29/1137250029.db2.gz FPFHAROYRLYRJS-INIZCTEOSA-N 1 2 325.387 3.745 20 0 EHADLO Fc1ccc2[nH]nc(C[N@@H+]3CCC[C@H](Sc4ccncc4)C3)c2c1 ZINC001144199753 1137250502 /nfs/dbraw/zinc/25/05/02/1137250502.db2.gz RTYDXDXZXQNCIK-HNNXBMFYSA-N 1 2 342.443 3.854 20 0 EHADLO Fc1ccc2[nH]nc(C[N@H+]3CCC[C@H](Sc4ccncc4)C3)c2c1 ZINC001144199753 1137250503 /nfs/dbraw/zinc/25/05/03/1137250503.db2.gz RTYDXDXZXQNCIK-HNNXBMFYSA-N 1 2 342.443 3.854 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1[nH]nc2ccc(F)cc21 ZINC001144201663 1137250846 /nfs/dbraw/zinc/25/08/46/1137250846.db2.gz CZIIPFCUYLNDCW-UHFFFAOYSA-N 1 2 325.387 3.795 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1[nH]nc2ccc(F)cc21 ZINC001144201663 1137250848 /nfs/dbraw/zinc/25/08/48/1137250848.db2.gz CZIIPFCUYLNDCW-UHFFFAOYSA-N 1 2 325.387 3.795 20 0 EHADLO CCc1oc2ccccc2c1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000125153327 1137251235 /nfs/dbraw/zinc/25/12/35/1137251235.db2.gz KOAPGWPZHKOWCJ-UHFFFAOYSA-N 1 2 338.407 3.946 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)n1 ZINC000865065231 1137261006 /nfs/dbraw/zinc/26/10/06/1137261006.db2.gz IHLBBPHPAPGOTR-UHFFFAOYSA-N 1 2 346.862 3.775 20 0 EHADLO Cc1[nH+]c(NCc2cc(F)ccc2N(C)C)ccc1-c1cnn(C)c1 ZINC000865292727 1137275122 /nfs/dbraw/zinc/27/51/22/1137275122.db2.gz QTHULYGMQJTPSO-UHFFFAOYSA-N 1 2 339.418 3.608 20 0 EHADLO CC(C)(C)c1cn(Cc2cn3cc(Br)ccc3n2)c[nH+]1 ZINC000865375886 1137278415 /nfs/dbraw/zinc/27/84/15/1137278415.db2.gz PBWYPYDDJCMFCC-UHFFFAOYSA-N 1 2 333.233 3.639 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000865410082 1137280920 /nfs/dbraw/zinc/28/09/20/1137280920.db2.gz HMRUDBSBZOORTQ-UHFFFAOYSA-N 1 2 337.254 3.673 20 0 EHADLO C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000845268105 1137282807 /nfs/dbraw/zinc/28/28/07/1137282807.db2.gz AHVJMLUSEHGXDU-XJKSGUPXSA-N 1 2 333.863 3.871 20 0 EHADLO C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000845276919 1137283205 /nfs/dbraw/zinc/28/32/05/1137283205.db2.gz DXOONKKEXXAEQH-GJZGRUSLSA-N 1 2 342.439 3.946 20 0 EHADLO C[C@@H](CC(=O)OCc1ccccc1OCC(F)(F)F)n1cc[nH+]c1 ZINC000845280486 1137283365 /nfs/dbraw/zinc/28/33/65/1137283365.db2.gz CLYMYNXXHDRCQN-LBPRGKRZSA-N 1 2 342.317 3.519 20 0 EHADLO C[C@H](CC(=O)OCc1csc(-c2cccs2)n1)n1cc[nH+]c1 ZINC000845279131 1137283406 /nfs/dbraw/zinc/28/34/06/1137283406.db2.gz LXLJAQUIALNSAA-LLVKDONJSA-N 1 2 333.438 3.763 20 0 EHADLO CCOc1cc(F)cc(C[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000865443706 1137284202 /nfs/dbraw/zinc/28/42/02/1137284202.db2.gz BNTBRRXSTCGFDY-UHFFFAOYSA-N 1 2 325.387 3.766 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1Cl ZINC000865465350 1137286287 /nfs/dbraw/zinc/28/62/87/1137286287.db2.gz XWCXZTMXEAPYMS-QAPCUYQASA-N 1 2 348.878 3.597 20 0 EHADLO CCCn1cc(C[NH2+]Cc2ccc(C)cc2OCCC(C)C)nn1 ZINC000865489605 1137288450 /nfs/dbraw/zinc/28/84/50/1137288450.db2.gz RBXIYYJZHVCJQM-UHFFFAOYSA-N 1 2 330.476 3.711 20 0 EHADLO CCCn1cc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)nn1 ZINC000865544847 1137293620 /nfs/dbraw/zinc/29/36/20/1137293620.db2.gz ILFNYOWCWLMXIA-OAHLLOKOSA-N 1 2 326.366 3.780 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+]Cc3cn(C4CC4)cn3)n2)cc1 ZINC000865616615 1137299111 /nfs/dbraw/zinc/29/91/11/1137299111.db2.gz HIPLLQZAESOLGX-UHFFFAOYSA-N 1 2 338.386 3.834 20 0 EHADLO Cc1cnccc1[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845581681 1137299703 /nfs/dbraw/zinc/29/97/03/1137299703.db2.gz HINMTKYBAUBECW-OXQOHEQNSA-N 1 2 335.407 3.870 20 0 EHADLO Fc1nc2ccccc2nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000865670803 1137303647 /nfs/dbraw/zinc/30/36/47/1137303647.db2.gz HJXXTJKOVIJODZ-UHFFFAOYSA-N 1 2 339.418 3.662 20 0 EHADLO O=C(OCC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000845752085 1137308432 /nfs/dbraw/zinc/30/84/32/1137308432.db2.gz JSPRNSPYOUZXDJ-GFCCVEGCSA-N 1 2 325.195 3.613 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567460 1137311046 /nfs/dbraw/zinc/31/10/46/1137311046.db2.gz LHPCWGOXGYSKQH-SFHVURJKSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567460 1137311048 /nfs/dbraw/zinc/31/10/48/1137311048.db2.gz LHPCWGOXGYSKQH-SFHVURJKSA-N 1 2 347.361 3.794 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cncc(F)c1 ZINC000865804323 1137312944 /nfs/dbraw/zinc/31/29/44/1137312944.db2.gz TZWBCNQDVSFAQM-JTQLQIEISA-N 1 2 342.340 3.623 20 0 EHADLO CC(C)c1ncc(C[NH2+]Cc2ncc(Br)s2)s1 ZINC000865848849 1137316158 /nfs/dbraw/zinc/31/61/58/1137316158.db2.gz LDWKXVZIMORQFD-UHFFFAOYSA-N 1 2 332.292 3.775 20 0 EHADLO Cc1cc(C[NH2+]Cc2ncc(Br)s2)cnc1Cl ZINC000865849241 1137316460 /nfs/dbraw/zinc/31/64/60/1137316460.db2.gz MMLLCDUCRGNYNJ-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000794893287 1137325808 /nfs/dbraw/zinc/32/58/08/1137325808.db2.gz WLSYIHLVLYALFS-SFHVURJKSA-N 1 2 342.443 3.625 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000794893287 1137325810 /nfs/dbraw/zinc/32/58/10/1137325810.db2.gz WLSYIHLVLYALFS-SFHVURJKSA-N 1 2 342.443 3.625 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866136220 1137331184 /nfs/dbraw/zinc/33/11/84/1137331184.db2.gz PZGBSPKETZXVQQ-GASCZTMLSA-N 1 2 346.500 3.559 20 0 EHADLO Cc1nnc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)o1 ZINC001144729188 1137337506 /nfs/dbraw/zinc/33/75/06/1137337506.db2.gz DHIDEXZXGYVBDM-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO Fc1cc(Cl)c(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1F ZINC001144732244 1137339445 /nfs/dbraw/zinc/33/94/45/1137339445.db2.gz RFWOGBREQPBJTG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cc(Cl)c(C[N@H+]2CCCN(c3cccnc3)CC2)cc1F ZINC001144732244 1137339447 /nfs/dbraw/zinc/33/94/47/1137339447.db2.gz RFWOGBREQPBJTG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144731966 1137339577 /nfs/dbraw/zinc/33/95/77/1137339577.db2.gz HUPFSWPCUYLVRZ-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144731966 1137339579 /nfs/dbraw/zinc/33/95/79/1137339579.db2.gz HUPFSWPCUYLVRZ-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000846213393 1137341643 /nfs/dbraw/zinc/34/16/43/1137341643.db2.gz RWCGRKDLTBXUOZ-AWEZNQCLSA-N 1 2 349.475 3.676 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1cccc(-n2ccnc2)c1 ZINC000866274968 1137341727 /nfs/dbraw/zinc/34/17/27/1137341727.db2.gz BRXXHZPZAOTVJL-QMIHWGKISA-N 1 2 337.398 3.995 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2nc(Br)cs2)c1 ZINC000846215517 1137341801 /nfs/dbraw/zinc/34/18/01/1137341801.db2.gz LAXMCBHYFQLHEG-QMMMGPOBSA-N 1 2 328.235 3.620 20 0 EHADLO CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(CC)cc1 ZINC000846238211 1137343036 /nfs/dbraw/zinc/34/30/36/1137343036.db2.gz AMWHVHBXRWKWLP-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866355423 1137348827 /nfs/dbraw/zinc/34/88/27/1137348827.db2.gz YFDLPWDMLNRXHN-SNVBAGLBSA-N 1 2 333.823 3.679 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000866451043 1137355862 /nfs/dbraw/zinc/35/58/62/1137355862.db2.gz OEGHOPMUXWQOOP-OFLPRAFFSA-N 1 2 346.450 3.749 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)c1nccn1C ZINC000866483650 1137358237 /nfs/dbraw/zinc/35/82/37/1137358237.db2.gz LYCXJSXPNYXCFO-MRXNPFEDSA-N 1 2 329.444 3.616 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1nc(C(F)(F)F)cs1 ZINC000846880699 1137373275 /nfs/dbraw/zinc/37/32/75/1137373275.db2.gz YKKCVOLWJRKSOR-SSDOTTSWSA-N 1 2 328.319 3.549 20 0 EHADLO COc1ccc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000847037146 1137384392 /nfs/dbraw/zinc/38/43/92/1137384392.db2.gz WCBYHGRUZMDAOJ-UHFFFAOYSA-N 1 2 338.363 3.707 20 0 EHADLO CC[C@@H](C(=O)N1c2ccccc2C(C)(C)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001147349124 1137404947 /nfs/dbraw/zinc/40/49/47/1137404947.db2.gz MLIAYSYXCXOPKV-JZXOWHBKSA-N 1 2 344.499 3.589 20 0 EHADLO CC[C@@H](C(=O)N1c2ccccc2C(C)(C)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001147349124 1137404948 /nfs/dbraw/zinc/40/49/48/1137404948.db2.gz MLIAYSYXCXOPKV-JZXOWHBKSA-N 1 2 344.499 3.589 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCC(F)(F)[C@@H](F)C1)CC2 ZINC001171314768 1137413559 /nfs/dbraw/zinc/41/35/59/1137413559.db2.gz GCFZTPIZWACOAE-BMIGLBTASA-N 1 2 333.781 3.885 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC(F)(F)[C@@H](F)C1)CC2 ZINC001171314768 1137413561 /nfs/dbraw/zinc/41/35/61/1137413561.db2.gz GCFZTPIZWACOAE-BMIGLBTASA-N 1 2 333.781 3.885 20 0 EHADLO CCOCCCCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000868566389 1137414387 /nfs/dbraw/zinc/41/43/87/1137414387.db2.gz MSNZKKAQHUDHFU-UHFFFAOYSA-N 1 2 349.862 3.739 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC001148114871 1137417846 /nfs/dbraw/zinc/41/78/46/1137417846.db2.gz YWJCKLBCYBFSOV-LJQANCHMSA-N 1 2 335.382 3.528 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2CCC(OC(C)(C)C)CC2)c[nH+]1 ZINC000868686196 1137419549 /nfs/dbraw/zinc/41/95/49/1137419549.db2.gz SNMVVFWFWMDDSW-UHFFFAOYSA-N 1 2 333.476 3.624 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(Nc3ccccc3)cn2)c[nH+]1 ZINC001148208116 1137419676 /nfs/dbraw/zinc/41/96/76/1137419676.db2.gz LHMNMYHZCJUYON-UHFFFAOYSA-N 1 2 335.411 3.704 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)ccc1F ZINC001148426395 1137423811 /nfs/dbraw/zinc/42/38/11/1137423811.db2.gz GFXKKEYKKAYYCZ-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cccc3c2CCCC3)CC1 ZINC001148632307 1137430278 /nfs/dbraw/zinc/43/02/78/1137430278.db2.gz AMWGLDQTJWRPCH-UHFFFAOYSA-N 1 2 349.478 3.648 20 0 EHADLO CC(C)C[C@@H](C(=O)NC1(c2ccc(F)cc2)CCC1)n1cc[nH+]c1 ZINC001148712720 1137431531 /nfs/dbraw/zinc/43/15/31/1137431531.db2.gz HOMDQCUDIKWWPG-KRWDZBQOSA-N 1 2 329.419 3.805 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cccc(-c2ccccc2)c1O ZINC001148872446 1137437103 /nfs/dbraw/zinc/43/71/03/1137437103.db2.gz IQQJSQRLMWETJK-UHFFFAOYSA-N 1 2 347.418 3.911 20 0 EHADLO O=C(/C=C\c1ccsc1C(F)(F)F)OCCCn1cc[nH+]c1 ZINC000869584193 1137458191 /nfs/dbraw/zinc/45/81/91/1137458191.db2.gz BVSRAUUXUCNNCO-IHWYPQMZSA-N 1 2 330.331 3.610 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(=S)o1 ZINC000773265531 1137482751 /nfs/dbraw/zinc/48/27/51/1137482751.db2.gz SUAOFTSTAWSTKC-KGLIPLIRSA-N 1 2 339.505 3.599 20 0 EHADLO CC(C)(C)c1nn(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(=S)o1 ZINC000773265531 1137482752 /nfs/dbraw/zinc/48/27/52/1137482752.db2.gz SUAOFTSTAWSTKC-KGLIPLIRSA-N 1 2 339.505 3.599 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC=CCC3)n2)C1 ZINC000339101179 1137486715 /nfs/dbraw/zinc/48/67/15/1137486715.db2.gz GMXZNUXSNTWHFS-LSDHHAIUSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC=CCC3)n2)C1 ZINC000339101179 1137486716 /nfs/dbraw/zinc/48/67/16/1137486716.db2.gz GMXZNUXSNTWHFS-LSDHHAIUSA-N 1 2 348.516 3.853 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC001171707775 1137505567 /nfs/dbraw/zinc/50/55/67/1137505567.db2.gz VZBHUGRXCYEXSO-KBPBESRZSA-N 1 2 331.412 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC001171707775 1137505568 /nfs/dbraw/zinc/50/55/68/1137505568.db2.gz VZBHUGRXCYEXSO-KBPBESRZSA-N 1 2 331.412 3.609 20 0 EHADLO Fc1cccc2c1C[C@@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001171794603 1137512850 /nfs/dbraw/zinc/51/28/50/1137512850.db2.gz RNOSCBOHEDNBBF-FKIZTMCRSA-N 1 2 336.454 3.624 20 0 EHADLO Fc1ccc([C@@H]2COCC[N@@H+]2[C@H]2CSc3ccccc3C2)cc1 ZINC001172208678 1137541518 /nfs/dbraw/zinc/54/15/18/1137541518.db2.gz RRCQOGSXWCDHES-MSOLQXFVSA-N 1 2 329.440 3.916 20 0 EHADLO Fc1ccc([C@@H]2COCC[N@H+]2[C@H]2CSc3ccccc3C2)cc1 ZINC001172208678 1137541520 /nfs/dbraw/zinc/54/15/20/1137541520.db2.gz RRCQOGSXWCDHES-MSOLQXFVSA-N 1 2 329.440 3.916 20 0 EHADLO Clc1ccccc1C1([NH2+][C@@H]2CSc3ccccc3C2)COC1 ZINC001172196563 1137543034 /nfs/dbraw/zinc/54/30/34/1137543034.db2.gz HGNGHKQREUWELP-AWEZNQCLSA-N 1 2 331.868 3.872 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CO1 ZINC001172290549 1137548219 /nfs/dbraw/zinc/54/82/19/1137548219.db2.gz DPBUGMCWTXAQOH-MRXNPFEDSA-N 1 2 343.446 3.807 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CO1 ZINC001172290549 1137548220 /nfs/dbraw/zinc/54/82/20/1137548220.db2.gz DPBUGMCWTXAQOH-MRXNPFEDSA-N 1 2 343.446 3.807 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172348308 1137553277 /nfs/dbraw/zinc/55/32/77/1137553277.db2.gz PNFGMSCBAORXBC-DEYYWGMASA-N 1 2 327.415 3.932 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172348308 1137553278 /nfs/dbraw/zinc/55/32/78/1137553278.db2.gz PNFGMSCBAORXBC-DEYYWGMASA-N 1 2 327.415 3.932 20 0 EHADLO CC[C@H]([NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000872060005 1137568793 /nfs/dbraw/zinc/56/87/93/1137568793.db2.gz MJHNAXKQBXYHKN-YZLZLFLDSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)cc2)CCO1 ZINC000872060652 1137568862 /nfs/dbraw/zinc/56/88/62/1137568862.db2.gz RWUPTFDLHWEMAR-SUMDDJOVSA-N 1 2 332.488 3.917 20 0 EHADLO CC[C@@H]([NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000872066925 1137569350 /nfs/dbraw/zinc/56/93/50/1137569350.db2.gz MJHNAXKQBXYHKN-PFRQMTDMSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cc(O)ccc1F ZINC000872069233 1137569409 /nfs/dbraw/zinc/56/94/09/1137569409.db2.gz NIPJKKZWLAYPPY-SNVBAGLBSA-N 1 2 344.308 3.718 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000872134945 1137573580 /nfs/dbraw/zinc/57/35/80/1137573580.db2.gz AJGVILQOJQMMBY-GFCCVEGCSA-N 1 2 342.624 3.571 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269255 1137576964 /nfs/dbraw/zinc/57/69/64/1137576964.db2.gz HZPVYCHKPILXAU-DYVFJYSZSA-N 1 2 348.393 3.523 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269255 1137576965 /nfs/dbraw/zinc/57/69/65/1137576965.db2.gz HZPVYCHKPILXAU-DYVFJYSZSA-N 1 2 348.393 3.523 20 0 EHADLO Clc1cccc(-c2cc(N3CCC[C@@H](n4cc[nH+]c4)C3)ncn2)c1 ZINC000872442601 1137580222 /nfs/dbraw/zinc/58/02/22/1137580222.db2.gz KUTKTZGEUVAUAC-MRXNPFEDSA-N 1 2 339.830 3.835 20 0 EHADLO CCCOc1cccc2c(NCCC[C@@H]3CCOC3=O)cc[nH+]c12 ZINC000872703465 1137582923 /nfs/dbraw/zinc/58/29/23/1137582923.db2.gz XFBWOMQLJFKYLS-CQSZACIVSA-N 1 2 328.412 3.779 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000873175517 1137592554 /nfs/dbraw/zinc/59/25/54/1137592554.db2.gz WYHOXANZDDHAGT-UHFFFAOYSA-N 1 2 344.455 3.505 20 0 EHADLO CC[C@@H](CCc1cccnc1)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000873584339 1137603722 /nfs/dbraw/zinc/60/37/22/1137603722.db2.gz KFJNYRWRXXGHSY-FQEVSTJZSA-N 1 2 349.434 3.895 20 0 EHADLO CC(C)n1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cn1 ZINC001137082563 1137623546 /nfs/dbraw/zinc/62/35/46/1137623546.db2.gz GCSDFFCWGOHTPY-HOTGVXAUSA-N 1 2 330.863 3.581 20 0 EHADLO CC(C)n1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cn1 ZINC001137082563 1137623547 /nfs/dbraw/zinc/62/35/47/1137623547.db2.gz GCSDFFCWGOHTPY-HOTGVXAUSA-N 1 2 330.863 3.581 20 0 EHADLO CCCOc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)c(C)c1 ZINC000825754085 1137626650 /nfs/dbraw/zinc/62/66/50/1137626650.db2.gz ZOCFTJJGPXWDOR-UHFFFAOYSA-N 1 2 348.874 3.827 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)c(C)c1 ZINC000825754085 1137626651 /nfs/dbraw/zinc/62/66/51/1137626651.db2.gz ZOCFTJJGPXWDOR-UHFFFAOYSA-N 1 2 348.874 3.827 20 0 EHADLO CCC[N@H+](CC(=O)OCC)Cc1ccc(Br)c(C)c1 ZINC001137616628 1137629165 /nfs/dbraw/zinc/62/91/65/1137629165.db2.gz TYRXPXSVWGCCSM-UHFFFAOYSA-N 1 2 328.250 3.533 20 0 EHADLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(Br)c(C)c1 ZINC001137616628 1137629166 /nfs/dbraw/zinc/62/91/66/1137629166.db2.gz TYRXPXSVWGCCSM-UHFFFAOYSA-N 1 2 328.250 3.533 20 0 EHADLO CN(C[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1)C(=O)OC(C)(C)C ZINC000125348339 1137630963 /nfs/dbraw/zinc/63/09/63/1137630963.db2.gz WRNSPHAJAFHZRL-OEMOTLHWSA-N 1 2 337.291 3.884 20 0 EHADLO CN(C[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1)C(=O)OC(C)(C)C ZINC000125348339 1137630964 /nfs/dbraw/zinc/63/09/64/1137630964.db2.gz WRNSPHAJAFHZRL-OEMOTLHWSA-N 1 2 337.291 3.884 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(SCCCO)cc2)c1C ZINC000876858395 1137663836 /nfs/dbraw/zinc/66/38/36/1137663836.db2.gz RPLMADAAABNQKG-UHFFFAOYSA-N 1 2 332.469 3.794 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2nc(Cl)ccc2Br)s1 ZINC000877065183 1137669190 /nfs/dbraw/zinc/66/91/90/1137669190.db2.gz IJWCMQQEMIZMSR-UHFFFAOYSA-N 1 2 346.681 3.861 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc(Cl)c3N)c[nH+]2)C[C@@H](C)O1 ZINC000877160868 1137671952 /nfs/dbraw/zinc/67/19/52/1137671952.db2.gz AFUFXXJMGJGBKR-CHWSQXEVSA-N 1 2 346.862 3.543 20 0 EHADLO COc1cc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c(Cl)cc1O ZINC000877376422 1137675028 /nfs/dbraw/zinc/67/50/28/1137675028.db2.gz RYDPFZSHPKBORG-OAHLLOKOSA-N 1 2 349.862 3.999 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000877754920 1137688076 /nfs/dbraw/zinc/68/80/76/1137688076.db2.gz XIXHZQNBYBOTIB-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000877754920 1137688077 /nfs/dbraw/zinc/68/80/77/1137688077.db2.gz XIXHZQNBYBOTIB-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CC[C@H](C(F)(F)F)O1 ZINC000877824815 1137692175 /nfs/dbraw/zinc/69/21/75/1137692175.db2.gz UWJBBYCCCLYYPH-ZWNOBZJWSA-N 1 2 334.407 3.564 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@H](C(F)(F)F)O1 ZINC000877824815 1137692176 /nfs/dbraw/zinc/69/21/76/1137692176.db2.gz UWJBBYCCCLYYPH-ZWNOBZJWSA-N 1 2 334.407 3.564 20 0 EHADLO CC1(C)[NH2+][C@@]2(CCOC3(CCCC3)C2)N(CC2CCCCC2)C1=O ZINC000877856312 1137693603 /nfs/dbraw/zinc/69/36/03/1137693603.db2.gz APBFMFJDSCIQJM-FQEVSTJZSA-N 1 2 334.504 3.597 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000877949498 1137696718 /nfs/dbraw/zinc/69/67/18/1137696718.db2.gz HXWYXZDWRWJPBR-QFBILLFUSA-N 1 2 349.434 3.688 20 0 EHADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000877949498 1137696719 /nfs/dbraw/zinc/69/67/19/1137696719.db2.gz HXWYXZDWRWJPBR-QFBILLFUSA-N 1 2 349.434 3.688 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)Cc1cnc(C)s1 ZINC000877973397 1137697825 /nfs/dbraw/zinc/69/78/25/1137697825.db2.gz YVSXXCBOJQSXSY-KRWDZBQOSA-N 1 2 331.485 3.633 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)Cc1cnc(C)s1 ZINC000877973397 1137697826 /nfs/dbraw/zinc/69/78/26/1137697826.db2.gz YVSXXCBOJQSXSY-KRWDZBQOSA-N 1 2 331.485 3.633 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878081656 1137701489 /nfs/dbraw/zinc/70/14/89/1137701489.db2.gz GJGWWGNYYMQQFV-PMACEKPBSA-N 1 2 337.419 3.709 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878081656 1137701490 /nfs/dbraw/zinc/70/14/90/1137701490.db2.gz GJGWWGNYYMQQFV-PMACEKPBSA-N 1 2 337.419 3.709 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCC(C)(C)CO1 ZINC000878140240 1137704136 /nfs/dbraw/zinc/70/41/36/1137704136.db2.gz ZADATNZWJIJHHA-SFHVURJKSA-N 1 2 327.472 3.568 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCC(C)(C)CO1 ZINC000878140240 1137704137 /nfs/dbraw/zinc/70/41/37/1137704137.db2.gz ZADATNZWJIJHHA-SFHVURJKSA-N 1 2 327.472 3.568 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccn3C)cs2)n1 ZINC000878157185 1137704936 /nfs/dbraw/zinc/70/49/36/1137704936.db2.gz CGTMBLLTGSZUHO-KRWDZBQOSA-N 1 2 341.484 3.609 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccn3C)cs2)n1 ZINC000878157185 1137704937 /nfs/dbraw/zinc/70/49/37/1137704937.db2.gz CGTMBLLTGSZUHO-KRWDZBQOSA-N 1 2 341.484 3.609 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000878190387 1137706575 /nfs/dbraw/zinc/70/65/75/1137706575.db2.gz HIWNZBJKDVMOSB-LSDHHAIUSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000878190387 1137706576 /nfs/dbraw/zinc/70/65/76/1137706576.db2.gz HIWNZBJKDVMOSB-LSDHHAIUSA-N 1 2 338.879 3.722 20 0 EHADLO OC1(C[N@H+](Cc2nc(C3CCC3)no2)Cc2ccccc2)CCCC1 ZINC000878193624 1137706751 /nfs/dbraw/zinc/70/67/51/1137706751.db2.gz KRCZWIUYPFBCFE-UHFFFAOYSA-N 1 2 341.455 3.644 20 0 EHADLO OC1(C[N@@H+](Cc2nc(C3CCC3)no2)Cc2ccccc2)CCCC1 ZINC000878193624 1137706752 /nfs/dbraw/zinc/70/67/52/1137706752.db2.gz KRCZWIUYPFBCFE-UHFFFAOYSA-N 1 2 341.455 3.644 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)C(C)C ZINC000878247697 1137708487 /nfs/dbraw/zinc/70/84/87/1137708487.db2.gz FLDPODRKDQMJRM-QGZVFWFLSA-N 1 2 338.411 3.633 20 0 EHADLO COc1cccc(C2([NH2+]Cc3noc4c3CC(C)(C)CC4)CC2)c1 ZINC000878369162 1137713055 /nfs/dbraw/zinc/71/30/55/1137713055.db2.gz PTHRSRBTYSFOGQ-UHFFFAOYSA-N 1 2 326.440 3.977 20 0 EHADLO Fc1cccc(F)c1C[N@H+](C[C@@H]1CCC2(CCOCC2)O1)C1CC1 ZINC000878499218 1137718049 /nfs/dbraw/zinc/71/80/49/1137718049.db2.gz RLZSITKKADVKHW-HNNXBMFYSA-N 1 2 337.410 3.657 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)C1CC1 ZINC000878499218 1137718050 /nfs/dbraw/zinc/71/80/50/1137718050.db2.gz RLZSITKKADVKHW-HNNXBMFYSA-N 1 2 337.410 3.657 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878506402 1137718202 /nfs/dbraw/zinc/71/82/02/1137718202.db2.gz IHMNDLQGOMQXNF-UHFFFAOYSA-N 1 2 330.432 3.623 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878506402 1137718203 /nfs/dbraw/zinc/71/82/03/1137718203.db2.gz IHMNDLQGOMQXNF-UHFFFAOYSA-N 1 2 330.432 3.623 20 0 EHADLO O[C@H](C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601161 1137721681 /nfs/dbraw/zinc/72/16/81/1137721681.db2.gz HJPROTCTTSFEGY-JKSUJKDBSA-N 1 2 340.254 3.977 20 0 EHADLO O[C@H](C[N@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601161 1137721682 /nfs/dbraw/zinc/72/16/82/1137721682.db2.gz HJPROTCTTSFEGY-JKSUJKDBSA-N 1 2 340.254 3.977 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)co1 ZINC000878627388 1137722912 /nfs/dbraw/zinc/72/29/12/1137722912.db2.gz PKPMUFNOAQQNHT-MSOLQXFVSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)co1 ZINC000878627388 1137722913 /nfs/dbraw/zinc/72/29/13/1137722913.db2.gz PKPMUFNOAQQNHT-MSOLQXFVSA-N 1 2 342.439 3.740 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cc2nc(C)c(Br)s2)C1 ZINC000878647665 1137723526 /nfs/dbraw/zinc/72/35/26/1137723526.db2.gz OWIUMFBDTZDMMR-JTQLQIEISA-N 1 2 335.336 3.789 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cc2nc(C)c(Br)s2)C1 ZINC000878647665 1137723527 /nfs/dbraw/zinc/72/35/27/1137723527.db2.gz OWIUMFBDTZDMMR-JTQLQIEISA-N 1 2 335.336 3.789 20 0 EHADLO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc1Cl ZINC000878713174 1137725975 /nfs/dbraw/zinc/72/59/75/1137725975.db2.gz ZJSCKQDZUKRCBD-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc1Cl ZINC000878713174 1137725976 /nfs/dbraw/zinc/72/59/76/1137725976.db2.gz ZJSCKQDZUKRCBD-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000878736608 1137726808 /nfs/dbraw/zinc/72/68/08/1137726808.db2.gz IAERGNDPYVXXEF-UHFFFAOYSA-N 1 2 347.409 3.646 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878955937 1137733502 /nfs/dbraw/zinc/73/35/02/1137733502.db2.gz IGIKTVIUUDRXEM-CJNGLKHVSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878955937 1137733503 /nfs/dbraw/zinc/73/35/03/1137733503.db2.gz IGIKTVIUUDRXEM-CJNGLKHVSA-N 1 2 349.475 3.677 20 0 EHADLO O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccn2cc[nH+]c2c1 ZINC000879449052 1137748018 /nfs/dbraw/zinc/74/80/18/1137748018.db2.gz HDWYGBQYLVMZKX-WCQYABFASA-N 1 2 338.333 3.601 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499141 1137749247 /nfs/dbraw/zinc/74/92/47/1137749247.db2.gz KSPVPFZKHKSCPO-GDBMZVCRSA-N 1 2 340.471 3.913 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499141 1137749248 /nfs/dbraw/zinc/74/92/48/1137749248.db2.gz KSPVPFZKHKSCPO-GDBMZVCRSA-N 1 2 340.471 3.913 20 0 EHADLO Cc1cnc(Cl)c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000879497009 1137749255 /nfs/dbraw/zinc/74/92/55/1137749255.db2.gz WJUXXSBFFBSBIN-ZDUSSCGKSA-N 1 2 349.887 3.624 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CCO1 ZINC000879629200 1137752813 /nfs/dbraw/zinc/75/28/13/1137752813.db2.gz IXYNRCVSBUASEY-IUODEOHRSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CCO1 ZINC000879629200 1137752814 /nfs/dbraw/zinc/75/28/14/1137752814.db2.gz IXYNRCVSBUASEY-IUODEOHRSA-N 1 2 330.255 3.652 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3ccnn3C)cs2)cc1 ZINC000879684819 1137755374 /nfs/dbraw/zinc/75/53/74/1137755374.db2.gz PRIBTYWZPZHVDO-CYBMUJFWSA-N 1 2 342.468 3.793 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)ccc21 ZINC000879722162 1137756600 /nfs/dbraw/zinc/75/66/00/1137756600.db2.gz ROWZTRMDXYLLNF-IYBDPMFKSA-N 1 2 336.439 3.731 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000879735861 1137757197 /nfs/dbraw/zinc/75/71/97/1137757197.db2.gz BNNSZQVTEIOHJF-HXUWFJFHSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2Cc2cccc3cccnc32)cc1 ZINC000879735861 1137757198 /nfs/dbraw/zinc/75/71/98/1137757198.db2.gz BNNSZQVTEIOHJF-HXUWFJFHSA-N 1 2 334.419 3.817 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c1 ZINC000879747182 1137757578 /nfs/dbraw/zinc/75/75/78/1137757578.db2.gz JSXVAJHTOFERRL-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cncc(Br)c2)c1 ZINC000879747182 1137757579 /nfs/dbraw/zinc/75/75/79/1137757579.db2.gz JSXVAJHTOFERRL-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc2c(C[NH+]3CCN(c4ccccc4Cl)CC3)[nH]nc21 ZINC001137147705 1137762170 /nfs/dbraw/zinc/76/21/70/1137762170.db2.gz AVAQVFCVLIZDIO-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO CC1(C)CO[C@@H](CCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000879976911 1137763779 /nfs/dbraw/zinc/76/37/79/1137763779.db2.gz SYICPGWPICZZNL-ULQDDVLXSA-N 1 2 345.487 3.516 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)n1 ZINC000880001196 1137764382 /nfs/dbraw/zinc/76/43/82/1137764382.db2.gz NWCWUOHHCRHJDK-MRXNPFEDSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)n1 ZINC000880001196 1137764383 /nfs/dbraw/zinc/76/43/83/1137764383.db2.gz NWCWUOHHCRHJDK-MRXNPFEDSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008396 1137765071 /nfs/dbraw/zinc/76/50/71/1137765071.db2.gz AFRISAARXMLZCZ-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008396 1137765072 /nfs/dbraw/zinc/76/50/72/1137765072.db2.gz AFRISAARXMLZCZ-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO COCCc1nc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086839 1137767660 /nfs/dbraw/zinc/76/76/60/1137767660.db2.gz LQJSBBRKWVBDMT-HNNXBMFYSA-N 1 2 349.862 3.680 20 0 EHADLO COCCc1nc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086839 1137767661 /nfs/dbraw/zinc/76/76/61/1137767661.db2.gz LQJSBBRKWVBDMT-HNNXBMFYSA-N 1 2 349.862 3.680 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1nccnc1C ZINC000880105363 1137768423 /nfs/dbraw/zinc/76/84/23/1137768423.db2.gz BKKQXZQDUJUSQW-CYBMUJFWSA-N 1 2 339.395 3.559 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880319293 1137774974 /nfs/dbraw/zinc/77/49/74/1137774974.db2.gz VJRAWJOCNRMSCO-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880319293 1137774975 /nfs/dbraw/zinc/77/49/75/1137774975.db2.gz VJRAWJOCNRMSCO-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000880376513 1137777179 /nfs/dbraw/zinc/77/71/79/1137777179.db2.gz IFFSUQAXSCBQGS-AWEZNQCLSA-N 1 2 335.494 3.531 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000880376513 1137777180 /nfs/dbraw/zinc/77/71/80/1137777180.db2.gz IFFSUQAXSCBQGS-AWEZNQCLSA-N 1 2 335.494 3.531 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880386981 1137777508 /nfs/dbraw/zinc/77/75/08/1137777508.db2.gz CYTCBKVQZSUKCK-QGZVFWFLSA-N 1 2 330.501 3.677 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880386981 1137777509 /nfs/dbraw/zinc/77/75/09/1137777509.db2.gz CYTCBKVQZSUKCK-QGZVFWFLSA-N 1 2 330.501 3.677 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132804 1137783530 /nfs/dbraw/zinc/78/35/30/1137783530.db2.gz ZGRAXFORPJIWKO-ZWNOBZJWSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132804 1137783531 /nfs/dbraw/zinc/78/35/31/1137783531.db2.gz ZGRAXFORPJIWKO-ZWNOBZJWSA-N 1 2 328.225 3.514 20 0 EHADLO CCCc1noc(C[N@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134277 1137791039 /nfs/dbraw/zinc/79/10/39/1137791039.db2.gz DHTBSGQAFLUEGA-RHSMWYFYSA-N 1 2 329.444 3.547 20 0 EHADLO CCCc1noc(C[N@@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134277 1137791040 /nfs/dbraw/zinc/79/10/40/1137791040.db2.gz DHTBSGQAFLUEGA-RHSMWYFYSA-N 1 2 329.444 3.547 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C ZINC001137168966 1137816210 /nfs/dbraw/zinc/81/62/10/1137816210.db2.gz ZYJRLYRTYQZHCO-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C ZINC001137168966 1137816211 /nfs/dbraw/zinc/81/62/11/1137816211.db2.gz ZYJRLYRTYQZHCO-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904483 1137820816 /nfs/dbraw/zinc/82/08/16/1137820816.db2.gz MLQNJFJUPAFUOC-RTBURBONSA-N 1 2 325.456 3.896 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904650 1137820971 /nfs/dbraw/zinc/82/09/71/1137820971.db2.gz OLTFTBZXRVREMJ-ROUUACIJSA-N 1 2 325.456 3.585 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882744732 1137833146 /nfs/dbraw/zinc/83/31/46/1137833146.db2.gz OCMSBNREVHWHBX-RCBQFDQVSA-N 1 2 349.356 3.838 20 0 EHADLO COc1cccc2c(NC[C@H]3CCC4(CCOCC4)CO3)cc[nH+]c12 ZINC000882787686 1137834182 /nfs/dbraw/zinc/83/41/82/1137834182.db2.gz WYWOBDOCWZMIBU-OAHLLOKOSA-N 1 2 342.439 3.631 20 0 EHADLO c1csc([C@H]2CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)n1 ZINC000882855287 1137835824 /nfs/dbraw/zinc/83/58/24/1137835824.db2.gz GGEBZOZOEFKKIG-HNNXBMFYSA-N 1 2 337.452 3.539 20 0 EHADLO c1csc([C@H]2CCN(c3cc(NCc4ccccc4)nc[nH+]3)C2)n1 ZINC000882855287 1137835825 /nfs/dbraw/zinc/83/58/25/1137835825.db2.gz GGEBZOZOEFKKIG-HNNXBMFYSA-N 1 2 337.452 3.539 20 0 EHADLO O=C(CCCc1ccsc1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872589 1137836362 /nfs/dbraw/zinc/83/63/62/1137836362.db2.gz IIODXWHWGQSYIX-SFHVURJKSA-N 1 2 339.464 3.825 20 0 EHADLO CC[N@@H+](Cc1c(Cl)nc(Cl)n1C)C[C@@H](O)c1ccc(C)cc1 ZINC000130530251 1137839158 /nfs/dbraw/zinc/83/91/58/1137839158.db2.gz PDFNGTQTKPROOF-CQSZACIVSA-N 1 2 342.270 3.591 20 0 EHADLO CC[N@H+](Cc1c(Cl)nc(Cl)n1C)C[C@@H](O)c1ccc(C)cc1 ZINC000130530251 1137839159 /nfs/dbraw/zinc/83/91/59/1137839159.db2.gz PDFNGTQTKPROOF-CQSZACIVSA-N 1 2 342.270 3.591 20 0 EHADLO CCc1ccc(OC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1 ZINC000131517881 1137854697 /nfs/dbraw/zinc/85/46/97/1137854697.db2.gz MMWYCBWVYSUSQV-UHFFFAOYSA-N 1 2 336.391 3.722 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC000883324687 1137854893 /nfs/dbraw/zinc/85/48/93/1137854893.db2.gz AHPPHMARLOHLHB-UHFFFAOYSA-N 1 2 343.757 3.945 20 0 EHADLO COc1cccc(C[NH2+]Cc2cc(O)ccc2Cl)c1OC(F)F ZINC000883325044 1137854940 /nfs/dbraw/zinc/85/49/40/1137854940.db2.gz MZAOQKDWNMJYJX-UHFFFAOYSA-N 1 2 343.757 3.945 20 0 EHADLO COc1ccc([C@H](CCn2cncn2)Nc2c[nH+]c(C)c(C)c2)cc1 ZINC000883342983 1137855983 /nfs/dbraw/zinc/85/59/83/1137855983.db2.gz UZHULVBXXUNTCO-IBGZPJMESA-N 1 2 337.427 3.542 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)CCCC2 ZINC000883346579 1137856323 /nfs/dbraw/zinc/85/63/23/1137856323.db2.gz COLLLHHKOAWUAY-YVEFUNNKSA-N 1 2 329.444 3.854 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883382986 1137858554 /nfs/dbraw/zinc/85/85/54/1137858554.db2.gz RENVEPGBQPIOSB-AZUAARDMSA-N 1 2 329.415 3.827 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000132091168 1137862820 /nfs/dbraw/zinc/86/28/20/1137862820.db2.gz PYUBUDWBNXJFQD-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000132091168 1137862821 /nfs/dbraw/zinc/86/28/21/1137862821.db2.gz PYUBUDWBNXJFQD-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178190 1137867839 /nfs/dbraw/zinc/86/78/39/1137867839.db2.gz KEEITRKAEVSAPG-UHFFFAOYSA-N 1 2 330.378 3.881 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000626178181 1137867867 /nfs/dbraw/zinc/86/78/67/1137867867.db2.gz KAQLVIPOKDLHDH-UHFFFAOYSA-N 1 2 344.405 3.836 20 0 EHADLO CCC[C@H](C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000883812818 1137871700 /nfs/dbraw/zinc/87/17/00/1137871700.db2.gz REAXFLDDMGKPGE-INIZCTEOSA-N 1 2 346.519 3.935 20 0 EHADLO CCCC[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000103180356 1137875340 /nfs/dbraw/zinc/87/53/40/1137875340.db2.gz RHSDRAKECYQXFN-QAPCUYQASA-N 1 2 344.459 3.511 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](CCCCCn2cccn2)CCO1 ZINC000104695232 1137879014 /nfs/dbraw/zinc/87/90/14/1137879014.db2.gz CGECASGERCACKX-GOSISDBHSA-N 1 2 333.863 3.780 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](CCCCCn2cccn2)CCO1 ZINC000104695232 1137879015 /nfs/dbraw/zinc/87/90/15/1137879015.db2.gz CGECASGERCACKX-GOSISDBHSA-N 1 2 333.863 3.780 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CCCCCC1 ZINC000110069714 1137899000 /nfs/dbraw/zinc/89/90/00/1137899000.db2.gz VWVPRLXLHALYEP-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)cs1 ZINC000111376521 1137904541 /nfs/dbraw/zinc/90/45/41/1137904541.db2.gz UZQYHUGMHXDWQM-GFCCVEGCSA-N 1 2 328.437 3.971 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)ccc1F ZINC001202659127 1137909966 /nfs/dbraw/zinc/90/99/66/1137909966.db2.gz ZOGROJDMSQWQBH-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000113510166 1137913441 /nfs/dbraw/zinc/91/34/41/1137913441.db2.gz QXDFZOIZKIBOLZ-LJQANCHMSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000113510166 1137913442 /nfs/dbraw/zinc/91/34/42/1137913442.db2.gz QXDFZOIZKIBOLZ-LJQANCHMSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc1OC ZINC000114724766 1137918698 /nfs/dbraw/zinc/91/86/98/1137918698.db2.gz AHAPUXPKVBLPBP-INIZCTEOSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)cc1OC ZINC000114724766 1137918699 /nfs/dbraw/zinc/91/86/99/1137918699.db2.gz AHAPUXPKVBLPBP-INIZCTEOSA-N 1 2 329.444 3.818 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000114750402 1137918743 /nfs/dbraw/zinc/91/87/43/1137918743.db2.gz LCGLBUVKZDYQAW-WDEREUQCSA-N 1 2 343.349 3.985 20 0 EHADLO CCn1c(C[NH2+]C(C)(C)c2nc(C)cs2)nc2c1cccc2F ZINC000118848992 1137935939 /nfs/dbraw/zinc/93/59/39/1137935939.db2.gz HYZXAXSNIZWFKA-UHFFFAOYSA-N 1 2 332.448 3.985 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2nc3ccccc3s2)n1 ZINC000118849522 1137935980 /nfs/dbraw/zinc/93/59/80/1137935980.db2.gz LGAPLSUNHRAJJF-UHFFFAOYSA-N 1 2 346.481 3.525 20 0 EHADLO CCC(CC)CN(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000118963395 1137936866 /nfs/dbraw/zinc/93/68/66/1137936866.db2.gz ZZHUPKYOKKFQTM-UHFFFAOYSA-N 1 2 348.491 3.517 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332417268 1137943375 /nfs/dbraw/zinc/94/33/75/1137943375.db2.gz MPRNWFWXJCUTNH-INIZCTEOSA-N 1 2 326.444 3.946 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000332423118 1137943545 /nfs/dbraw/zinc/94/35/45/1137943545.db2.gz RZYORSNWOXZMJP-CYBMUJFWSA-N 1 2 332.423 3.784 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943737 1137953783 /nfs/dbraw/zinc/95/37/83/1137953783.db2.gz GWKVFOYACGUVJY-KBPBESRZSA-N 1 2 333.457 3.578 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943737 1137953784 /nfs/dbraw/zinc/95/37/84/1137953784.db2.gz GWKVFOYACGUVJY-KBPBESRZSA-N 1 2 333.457 3.578 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(=S)o1 ZINC000884482734 1137960952 /nfs/dbraw/zinc/96/09/52/1137960952.db2.gz GZPYKGBBKNRACP-HOCLYGCPSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(=S)o1 ZINC000884482734 1137960953 /nfs/dbraw/zinc/96/09/53/1137960953.db2.gz GZPYKGBBKNRACP-HOCLYGCPSA-N 1 2 345.468 3.639 20 0 EHADLO COCCCC[C@@H]([NH2+]Cc1csc(NC(C)=O)n1)c1ccccc1 ZINC000348330062 1137965636 /nfs/dbraw/zinc/96/56/36/1137965636.db2.gz MTJJGWKZHJLZIR-QGZVFWFLSA-N 1 2 347.484 3.749 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885245028 1137991718 /nfs/dbraw/zinc/99/17/18/1137991718.db2.gz LBKAFSZKNPBARA-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c(F)c1OC ZINC000885927571 1138025450 /nfs/dbraw/zinc/02/54/50/1138025450.db2.gz VBGRVEIXGKVJNV-SNVBAGLBSA-N 1 2 325.330 3.972 20 0 EHADLO CC[N@H+](CCOC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000885946491 1138027659 /nfs/dbraw/zinc/02/76/59/1138027659.db2.gz KIDUGYZYKQESDR-UHFFFAOYSA-N 1 2 329.444 3.507 20 0 EHADLO CC[N@@H+](CCOC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000885946491 1138027661 /nfs/dbraw/zinc/02/76/61/1138027661.db2.gz KIDUGYZYKQESDR-UHFFFAOYSA-N 1 2 329.444 3.507 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000886116859 1138048479 /nfs/dbraw/zinc/04/84/79/1138048479.db2.gz TZEOISNIAOUONI-GOSISDBHSA-N 1 2 337.467 3.580 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000886116859 1138048481 /nfs/dbraw/zinc/04/84/81/1138048481.db2.gz TZEOISNIAOUONI-GOSISDBHSA-N 1 2 337.467 3.580 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1OCC(F)(F)F ZINC000886268957 1138062861 /nfs/dbraw/zinc/06/28/61/1138062861.db2.gz GYJHCXZFGNXQDS-UHFFFAOYSA-N 1 2 344.308 3.922 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2cccc(C3CC3)c2)n1 ZINC000886302203 1138066053 /nfs/dbraw/zinc/06/60/53/1138066053.db2.gz HIENDIBOWAPLRS-UHFFFAOYSA-N 1 2 337.398 3.967 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000886612730 1138102140 /nfs/dbraw/zinc/10/21/40/1138102140.db2.gz SPXHEQLOIDDOSZ-BONVTDFDSA-N 1 2 348.315 3.568 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000886612730 1138102142 /nfs/dbraw/zinc/10/21/42/1138102142.db2.gz SPXHEQLOIDDOSZ-BONVTDFDSA-N 1 2 348.315 3.568 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@H](c2ccc(C)cc2)C2CCCC2)n1 ZINC000886757465 1138133084 /nfs/dbraw/zinc/13/30/84/1138133084.db2.gz HVQAYWNSCIBNJJ-SFHVURJKSA-N 1 2 330.501 3.997 20 0 EHADLO CSCc1nnc(C[NH2+][C@H](c2ccc(C)cc2)C2CCCC2)[nH]1 ZINC000886757465 1138133085 /nfs/dbraw/zinc/13/30/85/1138133085.db2.gz HVQAYWNSCIBNJJ-SFHVURJKSA-N 1 2 330.501 3.997 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1OC ZINC000079303293 1138155252 /nfs/dbraw/zinc/15/52/52/1138155252.db2.gz LJNVMAUXMBASCN-QWHCGFSZSA-N 1 2 333.432 3.930 20 0 EHADLO CCCCc1nc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000083952809 1138176934 /nfs/dbraw/zinc/17/69/34/1138176934.db2.gz GZHPTGGTYDPRDN-HSZRJFAPSA-N 1 2 347.509 3.891 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)C1CC1 ZINC000348398973 1138182994 /nfs/dbraw/zinc/18/29/94/1138182994.db2.gz KLVHFVXLRCZNDL-AWEZNQCLSA-N 1 2 345.315 3.958 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789208 1138185426 /nfs/dbraw/zinc/18/54/26/1138185426.db2.gz JHGVSWATQYCDHC-ZBFHGGJFSA-N 1 2 332.444 3.781 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789208 1138185429 /nfs/dbraw/zinc/18/54/29/1138185429.db2.gz JHGVSWATQYCDHC-ZBFHGGJFSA-N 1 2 332.444 3.781 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000086362121 1138187103 /nfs/dbraw/zinc/18/71/03/1138187103.db2.gz BQALBWYZFOZOOZ-INIZCTEOSA-N 1 2 344.503 3.790 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)sc1C ZINC000088602974 1138194904 /nfs/dbraw/zinc/19/49/04/1138194904.db2.gz HTMRJNUMVWWYBE-KRWDZBQOSA-N 1 2 343.496 3.544 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)sc1C ZINC000088602974 1138194907 /nfs/dbraw/zinc/19/49/07/1138194907.db2.gz HTMRJNUMVWWYBE-KRWDZBQOSA-N 1 2 343.496 3.544 20 0 EHADLO CC(C)Cc1ncc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000092069214 1138224735 /nfs/dbraw/zinc/22/47/35/1138224735.db2.gz CUJMSQNWJBKTKC-UHFFFAOYSA-N 1 2 346.422 3.726 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000092069214 1138224736 /nfs/dbraw/zinc/22/47/36/1138224736.db2.gz CUJMSQNWJBKTKC-UHFFFAOYSA-N 1 2 346.422 3.726 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093235563 1138235238 /nfs/dbraw/zinc/23/52/38/1138235238.db2.gz GXZVMRWFBXFIKZ-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093235563 1138235241 /nfs/dbraw/zinc/23/52/41/1138235241.db2.gz GXZVMRWFBXFIKZ-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093413491 1138237400 /nfs/dbraw/zinc/23/74/00/1138237400.db2.gz FKMCCKBNEOUXJI-HNNXBMFYSA-N 1 2 344.528 3.714 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1O ZINC000093606378 1138238537 /nfs/dbraw/zinc/23/85/37/1138238537.db2.gz FVZWGCJTOKVWMP-ORAYPTAESA-N 1 2 331.387 3.502 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1O ZINC000093606378 1138238538 /nfs/dbraw/zinc/23/85/38/1138238538.db2.gz FVZWGCJTOKVWMP-ORAYPTAESA-N 1 2 331.387 3.502 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000122871818 1138263162 /nfs/dbraw/zinc/26/31/62/1138263162.db2.gz QGOIWBSWHCEJNE-HNNXBMFYSA-N 1 2 330.432 3.614 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)sc1C ZINC000333446541 1138291312 /nfs/dbraw/zinc/29/13/12/1138291312.db2.gz MUTHEVZBSNTAKP-ZDUSSCGKSA-N 1 2 333.505 3.555 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)sc1C ZINC000333446541 1138291315 /nfs/dbraw/zinc/29/13/15/1138291315.db2.gz MUTHEVZBSNTAKP-ZDUSSCGKSA-N 1 2 333.505 3.555 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000124904749 1138296995 /nfs/dbraw/zinc/29/69/95/1138296995.db2.gz ADDPTCJLFUTANZ-KPZWWZAWSA-N 1 2 340.402 3.535 20 0 EHADLO CC1(C)CCc2sc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc21 ZINC000333500356 1138297232 /nfs/dbraw/zinc/29/72/32/1138297232.db2.gz HRKCBXDZXYCZKX-LLVKDONJSA-N 1 2 345.472 3.502 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333530056 1138301074 /nfs/dbraw/zinc/30/10/74/1138301074.db2.gz XXEZEZXNRMJPTM-YJBOKZPZSA-N 1 2 344.503 3.687 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccn1 ZINC000125370651 1138307184 /nfs/dbraw/zinc/30/71/84/1138307184.db2.gz FVWSLJRCPSYFBW-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccn1 ZINC000125370651 1138307187 /nfs/dbraw/zinc/30/71/87/1138307187.db2.gz FVWSLJRCPSYFBW-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125773843 1138315947 /nfs/dbraw/zinc/31/59/47/1138315947.db2.gz QVHHSBIMDHEHTE-ABAIWWIYSA-N 1 2 338.238 3.913 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000333729935 1138326553 /nfs/dbraw/zinc/32/65/53/1138326553.db2.gz KVXGEIGKBMLANQ-PMUMKWKESA-N 1 2 339.439 3.638 20 0 EHADLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1F ZINC000126235940 1138326982 /nfs/dbraw/zinc/32/69/82/1138326982.db2.gz QXWSVNCPMRJJHW-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000127253831 1138351239 /nfs/dbraw/zinc/35/12/39/1138351239.db2.gz QOOSIGDPMCJCGR-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000127494497 1138359723 /nfs/dbraw/zinc/35/97/23/1138359723.db2.gz KBHMOHSQLPUAHY-INIZCTEOSA-N 1 2 332.451 3.949 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000127494497 1138359725 /nfs/dbraw/zinc/35/97/25/1138359725.db2.gz KBHMOHSQLPUAHY-INIZCTEOSA-N 1 2 332.451 3.949 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334043217 1138364686 /nfs/dbraw/zinc/36/46/86/1138364686.db2.gz PCCYLPCJAGLPMU-UHFFFAOYSA-N 1 2 344.484 3.934 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)ccc2[nH+]1 ZINC000263792507 1138366955 /nfs/dbraw/zinc/36/69/55/1138366955.db2.gz IPOBQDKVWIZZGG-RYUDHWBXSA-N 1 2 325.334 3.950 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263798104 1138369136 /nfs/dbraw/zinc/36/91/36/1138369136.db2.gz SCYROVPRXLCJQJ-UHFFFAOYSA-N 1 2 326.444 3.839 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263853611 1138380698 /nfs/dbraw/zinc/38/06/98/1138380698.db2.gz STOURSDXAVZOQX-QGZVFWFLSA-N 1 2 326.444 3.696 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2ccccc2F)CCCC1 ZINC000263852869 1138381090 /nfs/dbraw/zinc/38/10/90/1138381090.db2.gz YKQQXLROADVBJC-UHFFFAOYSA-N 1 2 341.430 3.698 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2C1 ZINC000263909578 1138390916 /nfs/dbraw/zinc/39/09/16/1138390916.db2.gz BERZDYYPMAQQAX-QWHCGFSZSA-N 1 2 329.469 3.616 20 0 EHADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263955527 1138397322 /nfs/dbraw/zinc/39/73/22/1138397322.db2.gz SBKHUSCHSDOWQA-LLVKDONJSA-N 1 2 341.308 3.587 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000263961482 1138398680 /nfs/dbraw/zinc/39/86/80/1138398680.db2.gz QOAHVRSKHZDJNQ-IRXDYDNUSA-N 1 2 326.444 3.696 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CC[C@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000336883477 1138420441 /nfs/dbraw/zinc/42/04/41/1138420441.db2.gz ZECVYQJUDFVPCA-HNNXBMFYSA-N 1 2 339.464 3.831 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CC[C@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000336883477 1138420442 /nfs/dbraw/zinc/42/04/42/1138420442.db2.gz ZECVYQJUDFVPCA-HNNXBMFYSA-N 1 2 339.464 3.831 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129781392 1138422151 /nfs/dbraw/zinc/42/21/51/1138422151.db2.gz OCSXJZWTBXZHCB-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000336965743 1138436302 /nfs/dbraw/zinc/43/63/02/1138436302.db2.gz GQGPCDAYJVSOIU-UHFFFAOYSA-N 1 2 339.370 3.630 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@H]2CC=CCC2)c1)[NH+]1CCOCC1 ZINC000264207903 1138443170 /nfs/dbraw/zinc/44/31/70/1138443170.db2.gz GKZSJGDJBFSELS-SJORKVTESA-N 1 2 343.471 3.558 20 0 EHADLO Cc1ccc(F)cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264275144 1138461075 /nfs/dbraw/zinc/46/10/75/1138461075.db2.gz SHXWYYAGKSJXQF-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000887578665 1138468841 /nfs/dbraw/zinc/46/88/41/1138468841.db2.gz BRJXIVZHBQKRQL-CRAIPNDOSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000887578665 1138468843 /nfs/dbraw/zinc/46/88/43/1138468843.db2.gz BRJXIVZHBQKRQL-CRAIPNDOSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H]1CC(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[C@H](C)C1 ZINC000337129620 1138473759 /nfs/dbraw/zinc/47/37/59/1138473759.db2.gz AQCKUGZFTLCLIV-BRWVUGGUSA-N 1 2 343.515 3.998 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337200047 1138493740 /nfs/dbraw/zinc/49/37/40/1138493740.db2.gz ZGMSGOISXFNOIJ-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337200047 1138493742 /nfs/dbraw/zinc/49/37/42/1138493742.db2.gz ZGMSGOISXFNOIJ-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3ccc(CSC(F)F)o3)nc2c1 ZINC000264390221 1138498638 /nfs/dbraw/zinc/49/86/38/1138498638.db2.gz RJPCNJRITODXNZ-UHFFFAOYSA-N 1 2 337.395 3.981 20 0 EHADLO O=C(Cc1cccc(OC(F)F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000337232716 1138502654 /nfs/dbraw/zinc/50/26/54/1138502654.db2.gz JSTVHSSVNQWHBC-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO COc1ccc2c(Oc3cccc(-n4cc[nH+]c4)c3)ncnc2c1F ZINC000337250902 1138508528 /nfs/dbraw/zinc/50/85/28/1138508528.db2.gz QUXFJVOEINPDNP-UHFFFAOYSA-N 1 2 336.326 3.756 20 0 EHADLO CCc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 ZINC000348444455 1138528106 /nfs/dbraw/zinc/52/81/06/1138528106.db2.gz YYPNPPDRANZATR-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO C[N@H+](CCSC1CCCCC1)Cc1nccn1CC(F)(F)F ZINC000337320809 1138532184 /nfs/dbraw/zinc/53/21/84/1138532184.db2.gz BLIQXEDYXDNYPC-UHFFFAOYSA-N 1 2 335.439 3.943 20 0 EHADLO C[N@@H+](CCSC1CCCCC1)Cc1nccn1CC(F)(F)F ZINC000337320809 1138532185 /nfs/dbraw/zinc/53/21/85/1138532185.db2.gz BLIQXEDYXDNYPC-UHFFFAOYSA-N 1 2 335.439 3.943 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000337397463 1138556413 /nfs/dbraw/zinc/55/64/13/1138556413.db2.gz JWCFMJCGWBHKNQ-AUSIDOKSSA-N 1 2 331.456 3.803 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000337397463 1138556416 /nfs/dbraw/zinc/55/64/16/1138556416.db2.gz JWCFMJCGWBHKNQ-AUSIDOKSSA-N 1 2 331.456 3.803 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000337523740 1138594198 /nfs/dbraw/zinc/59/41/98/1138594198.db2.gz WXOQYSRSFLJPPB-SFHVURJKSA-N 1 2 340.471 3.970 20 0 EHADLO Clc1ccc2c(c1)ncnc2NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337616227 1138622193 /nfs/dbraw/zinc/62/21/93/1138622193.db2.gz OGLFXFUQTRGQMH-UHFFFAOYSA-N 1 2 335.798 3.503 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3nc(C(C)(C)C)cs3)[nH+]c12 ZINC000133738057 1138654175 /nfs/dbraw/zinc/65/41/75/1138654175.db2.gz YNTCVHJYJKQXGK-HSZRJFAPSA-N 1 2 347.509 3.846 20 0 EHADLO O=C(CC(F)(F)F)Nc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000337798573 1138670800 /nfs/dbraw/zinc/67/08/00/1138670800.db2.gz GZKKMRYINLPZQN-UHFFFAOYSA-N 1 2 335.289 3.592 20 0 EHADLO O=C(Nc1cccc2ccsc21)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000338004562 1138721378 /nfs/dbraw/zinc/72/13/78/1138721378.db2.gz VEUVTKZYTCSNFZ-AWEZNQCLSA-N 1 2 338.436 3.697 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265084918 1138722754 /nfs/dbraw/zinc/72/27/54/1138722754.db2.gz KLXURIAHIYFGNU-INIZCTEOSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCc2ccccc21 ZINC000338051648 1138734295 /nfs/dbraw/zinc/73/42/95/1138734295.db2.gz PKMQKTYCTXPFAN-QFIPXVFZSA-N 1 2 345.446 3.783 20 0 EHADLO c1cn(Cc2cccc(-c3nc(-c4ccc5c(c4)CCO5)no3)c2)c[nH+]1 ZINC000338085222 1138745640 /nfs/dbraw/zinc/74/56/40/1138745640.db2.gz HLVMIVHCIQGKED-UHFFFAOYSA-N 1 2 344.374 3.583 20 0 EHADLO Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000338115153 1138755734 /nfs/dbraw/zinc/75/57/34/1138755734.db2.gz NUFQRPPEDBFPJC-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)N1CC[NH+](C)CC1 ZINC000348467809 1138766644 /nfs/dbraw/zinc/76/66/44/1138766644.db2.gz WSPDUKAYWWGIIC-UHFFFAOYSA-N 1 2 326.893 3.620 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338191486 1138781506 /nfs/dbraw/zinc/78/15/06/1138781506.db2.gz FXNRHKZYIHGOHB-MRXNPFEDSA-N 1 2 349.434 3.821 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338196916 1138783463 /nfs/dbraw/zinc/78/34/63/1138783463.db2.gz HQWBZLXLPIHONK-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000338284444 1138815937 /nfs/dbraw/zinc/81/59/37/1138815937.db2.gz SYYQNOKZPVHQRS-KRWDZBQOSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000338284444 1138815946 /nfs/dbraw/zinc/81/59/46/1138815946.db2.gz SYYQNOKZPVHQRS-KRWDZBQOSA-N 1 2 327.449 3.595 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265370875 1138836786 /nfs/dbraw/zinc/83/67/86/1138836786.db2.gz ZUBZUQARUPLURH-UHFFFAOYSA-N 1 2 347.462 3.817 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000265465319 1138910919 /nfs/dbraw/zinc/91/09/19/1138910919.db2.gz HQVSBQZABOOYGG-HNNXBMFYSA-N 1 2 337.510 3.746 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000265465319 1138910921 /nfs/dbraw/zinc/91/09/21/1138910921.db2.gz HQVSBQZABOOYGG-HNNXBMFYSA-N 1 2 337.510 3.746 20 0 EHADLO COCCCn1nccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000338434826 1138912654 /nfs/dbraw/zinc/91/26/54/1138912654.db2.gz GMBDYHRKSHYKPF-CYBMUJFWSA-N 1 2 336.505 3.524 20 0 EHADLO O=C(NCC1CC(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338499602 1138943601 /nfs/dbraw/zinc/94/36/01/1138943601.db2.gz JARXAHMGGGZNFH-UHFFFAOYSA-N 1 2 331.419 3.796 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000887890019 1138969107 /nfs/dbraw/zinc/96/91/07/1138969107.db2.gz UNWKZOYBMCPWEX-KRWDZBQOSA-N 1 2 325.412 3.550 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1)n1cc[nH+]c1 ZINC000889084649 1139163957 /nfs/dbraw/zinc/16/39/57/1139163957.db2.gz LHXRLRSJKKIULT-YEWWUXTCSA-N 1 2 347.409 3.811 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC2(C1)CCCCC2 ZINC000889545517 1139228738 /nfs/dbraw/zinc/22/87/38/1139228738.db2.gz CLKBPMIABBBZFT-QAQDUYKDSA-N 1 2 342.487 3.780 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1C2CCCC1CCC2 ZINC000889556643 1139232731 /nfs/dbraw/zinc/23/27/31/1139232731.db2.gz FNLNYXIVMPSJLU-MJYONLJCSA-N 1 2 342.487 3.921 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](c3ncccc3C)C(C)(C)C)ccn12 ZINC000889887102 1139281037 /nfs/dbraw/zinc/28/10/37/1139281037.db2.gz NVIQNTFGINGMJS-GOSISDBHSA-N 1 2 336.439 3.863 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000826683041 1139315198 /nfs/dbraw/zinc/31/51/98/1139315198.db2.gz SLXNYOUQAPJELX-HNNXBMFYSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000826683041 1139315207 /nfs/dbraw/zinc/31/52/07/1139315207.db2.gz SLXNYOUQAPJELX-HNNXBMFYSA-N 1 2 334.341 3.680 20 0 EHADLO CC[C@](C)(NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890243375 1139328607 /nfs/dbraw/zinc/32/86/07/1139328607.db2.gz KFKLCSWTSSOJDW-MJGOQNOKSA-N 1 2 326.444 3.502 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCCC2(CC2)CC1 ZINC000890243345 1139328828 /nfs/dbraw/zinc/32/88/28/1139328828.db2.gz JJWMTZWFHLMUIZ-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO CC[C@](C)(NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890243373 1139328928 /nfs/dbraw/zinc/32/89/28/1139328928.db2.gz KFKLCSWTSSOJDW-HKUYNNGSSA-N 1 2 326.444 3.502 20 0 EHADLO CCC(CC)N(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890247823 1139329454 /nfs/dbraw/zinc/32/94/54/1139329454.db2.gz DRKKDSRENUYUGB-SFHVURJKSA-N 1 2 328.460 3.845 20 0 EHADLO COCc1cccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000173926247 1139387085 /nfs/dbraw/zinc/38/70/85/1139387085.db2.gz ATPBWOKPERZHCJ-OAHLLOKOSA-N 1 2 337.423 3.658 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448975 1139421416 /nfs/dbraw/zinc/42/14/16/1139421416.db2.gz VBWOBXKORXMVBZ-BLLLJJGKSA-N 1 2 344.459 3.594 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448975 1139421419 /nfs/dbraw/zinc/42/14/19/1139421419.db2.gz VBWOBXKORXMVBZ-BLLLJJGKSA-N 1 2 344.459 3.594 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174591710 1139430107 /nfs/dbraw/zinc/43/01/07/1139430107.db2.gz IJHQFLLBTNEXBK-HNNXBMFYSA-N 1 2 345.874 3.522 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174591710 1139430111 /nfs/dbraw/zinc/43/01/11/1139430111.db2.gz IJHQFLLBTNEXBK-HNNXBMFYSA-N 1 2 345.874 3.522 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000175234130 1139474586 /nfs/dbraw/zinc/47/45/86/1139474586.db2.gz LXINLPRZDJILHQ-HZPDHXFCSA-N 1 2 344.503 3.790 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)s1 ZINC000175258294 1139476730 /nfs/dbraw/zinc/47/67/30/1139476730.db2.gz BMFSNBXCSZSFMS-RISCZKNCSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(OCC(C)C)CC2)n1 ZINC000175592058 1139502213 /nfs/dbraw/zinc/50/22/13/1139502213.db2.gz SYFLACBXQZSZNJ-UHFFFAOYSA-N 1 2 343.471 3.606 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177051852 1139594047 /nfs/dbraw/zinc/59/40/47/1139594047.db2.gz HYAXEOPHDLWHFV-UHFFFAOYSA-N 1 2 343.423 3.634 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177051852 1139594051 /nfs/dbraw/zinc/59/40/51/1139594051.db2.gz HYAXEOPHDLWHFV-UHFFFAOYSA-N 1 2 343.423 3.634 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3n2C(F)F)ccc1O ZINC000177050496 1139594218 /nfs/dbraw/zinc/59/42/18/1139594218.db2.gz VLUXFJMHMATNHQ-UHFFFAOYSA-N 1 2 347.365 3.778 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3n2C(F)F)ccc1O ZINC000177050496 1139594222 /nfs/dbraw/zinc/59/42/22/1139594222.db2.gz VLUXFJMHMATNHQ-UHFFFAOYSA-N 1 2 347.365 3.778 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000177546837 1139625966 /nfs/dbraw/zinc/62/59/66/1139625966.db2.gz RKDMZBNHPZRXEJ-NAVKMHBDSA-N 1 2 327.403 3.535 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccsc3)CC2)c1 ZINC000177693291 1139634900 /nfs/dbraw/zinc/63/49/00/1139634900.db2.gz QNJXNFXKRKDPNM-AWEZNQCLSA-N 1 2 345.468 3.667 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)c(C)s1 ZINC000177920137 1139654290 /nfs/dbraw/zinc/65/42/90/1139654290.db2.gz VPLVCKPDPZYWDV-LBPRGKRZSA-N 1 2 328.441 3.573 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178987524 1139728797 /nfs/dbraw/zinc/72/87/97/1139728797.db2.gz XCQMBPLVEOBCRN-UHFFFAOYSA-N 1 2 337.423 3.543 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1C ZINC000179425747 1139755954 /nfs/dbraw/zinc/75/59/54/1139755954.db2.gz UANUTCKRHBCQGC-LJQANCHMSA-N 1 2 331.435 3.623 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1C ZINC000179425747 1139755961 /nfs/dbraw/zinc/75/59/61/1139755961.db2.gz UANUTCKRHBCQGC-LJQANCHMSA-N 1 2 331.435 3.623 20 0 EHADLO C[C@@H](NCc1cccc2[nH+]ccn21)c1nc(C2CCCCC2)no1 ZINC000179428784 1139756409 /nfs/dbraw/zinc/75/64/09/1139756409.db2.gz GIDCDFKBJBHDBJ-CYBMUJFWSA-N 1 2 325.416 3.616 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495987 1139761188 /nfs/dbraw/zinc/76/11/88/1139761188.db2.gz JZXMKFXIYSKPPG-RISCZKNCSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495987 1139761192 /nfs/dbraw/zinc/76/11/92/1139761192.db2.gz JZXMKFXIYSKPPG-RISCZKNCSA-N 1 2 332.398 3.901 20 0 EHADLO CCC1(CO)CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000179508921 1139762489 /nfs/dbraw/zinc/76/24/89/1139762489.db2.gz OAUCGVQGIJIYNJ-UHFFFAOYSA-N 1 2 346.496 3.707 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000179667997 1139773788 /nfs/dbraw/zinc/77/37/88/1139773788.db2.gz PFSMGBSHRKMEEI-LBPRGKRZSA-N 1 2 333.457 3.740 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000179943026 1139794131 /nfs/dbraw/zinc/79/41/31/1139794131.db2.gz NNMKXYGWRZEBON-QLIIJSOBSA-N 1 2 342.483 3.671 20 0 EHADLO CC[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000180420575 1139833257 /nfs/dbraw/zinc/83/32/57/1139833257.db2.gz QDGRLXDCWGWEMB-SFHVURJKSA-N 1 2 341.455 3.592 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ncc(C)s2)C[C@H]2CCCO2)c1 ZINC000180447663 1139835377 /nfs/dbraw/zinc/83/53/77/1139835377.db2.gz ZFYCVBSKNWZWJI-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO COc1cccc(C[N@H+](Cc2ncc(C)s2)C[C@H]2CCCO2)c1 ZINC000180447663 1139835383 /nfs/dbraw/zinc/83/53/83/1139835383.db2.gz ZFYCVBSKNWZWJI-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000181282913 1139898140 /nfs/dbraw/zinc/89/81/40/1139898140.db2.gz IBLWULVLCFHVSD-KGLIPLIRSA-N 1 2 338.411 3.690 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1 ZINC000181357132 1139901547 /nfs/dbraw/zinc/90/15/47/1139901547.db2.gz MXXXKYLDEINWTR-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1 ZINC000181357132 1139901550 /nfs/dbraw/zinc/90/15/50/1139901550.db2.gz MXXXKYLDEINWTR-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)C(C)C ZINC000181464766 1139908433 /nfs/dbraw/zinc/90/84/33/1139908433.db2.gz VMIYOEZSCFJUGA-KRWDZBQOSA-N 1 2 325.460 3.681 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nccs2)c(Br)c1 ZINC000181544350 1139913921 /nfs/dbraw/zinc/91/39/21/1139913921.db2.gz STIGAHOEPOZLPN-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000182348496 1139966475 /nfs/dbraw/zinc/96/64/75/1139966475.db2.gz GUXBXKRWMRRCPY-CYBMUJFWSA-N 1 2 337.379 3.625 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2csc(CCC(C)C)n2)cc1 ZINC000182407488 1139970189 /nfs/dbraw/zinc/97/01/89/1139970189.db2.gz KZDXXQZGZMTPBN-SFHVURJKSA-N 1 2 348.512 3.954 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000183022967 1140008378 /nfs/dbraw/zinc/00/83/78/1140008378.db2.gz SQGPZXPJDSCDIJ-VHSXEESVSA-N 1 2 345.321 3.526 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000183122449 1140014208 /nfs/dbraw/zinc/01/42/08/1140014208.db2.gz VEZKERVQTMBRCV-IIBYNOLFSA-N 1 2 325.836 3.689 20 0 EHADLO C[C@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H](C)C1 ZINC000183319633 1140030239 /nfs/dbraw/zinc/03/02/39/1140030239.db2.gz JAWICXTVWISIQA-HZPDHXFCSA-N 1 2 341.455 3.973 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cnn1C ZINC000183429756 1140037465 /nfs/dbraw/zinc/03/74/65/1140037465.db2.gz XXZMFBGQDZHNKN-NWDGAFQWSA-N 1 2 343.406 3.638 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1C ZINC000183555754 1140046425 /nfs/dbraw/zinc/04/64/25/1140046425.db2.gz DIQAFPSQWUWNEY-SMDDNHRTSA-N 1 2 334.441 3.941 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3cncc(Br)c3)ccc21 ZINC000183741302 1140056326 /nfs/dbraw/zinc/05/63/26/1140056326.db2.gz PTIUTCPTYIVSQG-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3cncc(Br)c3)ccc21 ZINC000183741302 1140056330 /nfs/dbraw/zinc/05/63/30/1140056330.db2.gz PTIUTCPTYIVSQG-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cccc(Br)c2OC)s1 ZINC000183891254 1140063695 /nfs/dbraw/zinc/06/36/95/1140063695.db2.gz RKMYQJNULDWISX-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000183950611 1140068576 /nfs/dbraw/zinc/06/85/76/1140068576.db2.gz LOASUGORMAMWEP-HNNXBMFYSA-N 1 2 331.410 3.898 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184145335 1140082718 /nfs/dbraw/zinc/08/27/18/1140082718.db2.gz NITGAXAAQUJPFW-WMZOPIPTSA-N 1 2 344.455 3.919 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000184292237 1140092873 /nfs/dbraw/zinc/09/28/73/1140092873.db2.gz LSBHKFZCQOOTPT-MJGOQNOKSA-N 1 2 347.422 3.637 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(-c2cnn(C)c2C)no1)c1nc(C)cs1 ZINC000184668866 1140114031 /nfs/dbraw/zinc/11/40/31/1140114031.db2.gz YDQAKUQPZMSUEQ-KRWDZBQOSA-N 1 2 345.472 3.563 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cs1 ZINC000184726951 1140117477 /nfs/dbraw/zinc/11/74/77/1140117477.db2.gz KMAUXVNNTNCPNB-AWEZNQCLSA-N 1 2 343.496 3.547 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886515 1140123963 /nfs/dbraw/zinc/12/39/63/1140123963.db2.gz XJHCTWVCWGNNBC-ILXRZTDVSA-N 1 2 329.444 3.686 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)s1 ZINC000185036901 1140132690 /nfs/dbraw/zinc/13/26/90/1140132690.db2.gz DDQOCBFZLKTRGX-AWEZNQCLSA-N 1 2 331.485 3.688 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1=CCCCCC1 ZINC000185996690 1140181410 /nfs/dbraw/zinc/18/14/10/1140181410.db2.gz YMEAKSPLBAJLSB-UHFFFAOYSA-N 1 2 325.412 3.791 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(OC3COC3)cc2)n1-c1ccccc1 ZINC000186502810 1140207267 /nfs/dbraw/zinc/20/72/67/1140207267.db2.gz CMMCQYMVXGYKQC-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO Cc1nc2c(s1)[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CCC2 ZINC000186827361 1140223672 /nfs/dbraw/zinc/22/36/72/1140223672.db2.gz JIHNBBCSRMULPL-CQSZACIVSA-N 1 2 335.473 3.922 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189142176 1140323422 /nfs/dbraw/zinc/32/34/22/1140323422.db2.gz JBCZRKSPPDEFOD-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189142176 1140323429 /nfs/dbraw/zinc/32/34/29/1140323429.db2.gz JBCZRKSPPDEFOD-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO CC(=O)NC1CCC([NH2+]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190298267 1140396893 /nfs/dbraw/zinc/39/68/93/1140396893.db2.gz CLQSZJOPOWZACN-MVBPIPQGSA-N 1 2 327.472 3.535 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC000192248436 1140514199 /nfs/dbraw/zinc/51/41/99/1140514199.db2.gz VWMGAJLAMZSFNS-UHFFFAOYSA-N 1 2 345.462 3.801 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccoc2Cl)C[C@H](C)O1 ZINC000192279254 1140518227 /nfs/dbraw/zinc/51/82/27/1140518227.db2.gz WJTXYQVBZCWPOA-STQMWFEESA-N 1 2 348.830 3.795 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000192461383 1140534165 /nfs/dbraw/zinc/53/41/65/1140534165.db2.gz SADYAZUJRNWNJB-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c[nH+]cn1C ZINC000193415423 1140574851 /nfs/dbraw/zinc/57/48/51/1140574851.db2.gz NSIYFWFUFWCMPW-SFHVURJKSA-N 1 2 343.471 3.655 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(C)(C(C)C)CC2)c1C ZINC000777487672 1140586453 /nfs/dbraw/zinc/58/64/53/1140586453.db2.gz TVBVCIBPRICSDP-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000194349129 1140605582 /nfs/dbraw/zinc/60/55/82/1140605582.db2.gz ONXLZTUSHCCBSP-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000194349129 1140605585 /nfs/dbraw/zinc/60/55/85/1140605585.db2.gz ONXLZTUSHCCBSP-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)C(C)(C)C ZINC000266438692 1140687337 /nfs/dbraw/zinc/68/73/37/1140687337.db2.gz UTDSQMMZTHUGTI-INIZCTEOSA-N 1 2 331.504 3.829 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266709698 1140718434 /nfs/dbraw/zinc/71/84/34/1140718434.db2.gz JBNURMOXEAKQQV-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266709698 1140718439 /nfs/dbraw/zinc/71/84/39/1140718439.db2.gz JBNURMOXEAKQQV-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc2c(cc1SC)OCCO2)c1ccc(C)o1 ZINC000266934964 1140740643 /nfs/dbraw/zinc/74/06/43/1140740643.db2.gz AHWLKOSTDIMVKZ-CQSZACIVSA-N 1 2 349.452 3.558 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000266935897 1140740678 /nfs/dbraw/zinc/74/06/78/1140740678.db2.gz ANCKVPBZUKKLEK-UHFFFAOYSA-N 1 2 346.406 3.748 20 0 EHADLO CC(C)c1ccc(SCC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000267006099 1140750167 /nfs/dbraw/zinc/75/01/67/1140750167.db2.gz ALUVTFATZMUTGE-HNNXBMFYSA-N 1 2 331.485 3.551 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267458894 1140794171 /nfs/dbraw/zinc/79/41/71/1140794171.db2.gz JAHJVOGHDNCIET-SNVBAGLBSA-N 1 2 341.308 3.587 20 0 EHADLO CC[N@H+](Cc1cnc(Cl)s1)Cc1ccc(OC)cc1OC ZINC000267472633 1140795105 /nfs/dbraw/zinc/79/51/05/1140795105.db2.gz DCMYFMADVHFVOT-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO CC[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(OC)cc1OC ZINC000267472633 1140795110 /nfs/dbraw/zinc/79/51/10/1140795110.db2.gz DCMYFMADVHFVOT-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cs1 ZINC000267596295 1140808077 /nfs/dbraw/zinc/80/80/77/1140808077.db2.gz CHKKNICPHCNCOV-ZDUSSCGKSA-N 1 2 342.468 3.839 20 0 EHADLO COc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)ccc1SC ZINC000267634974 1140813835 /nfs/dbraw/zinc/81/38/35/1140813835.db2.gz OZAWZBXGGZYMFP-NSHDSACASA-N 1 2 338.498 3.871 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cs1 ZINC000268049842 1140873513 /nfs/dbraw/zinc/87/35/13/1140873513.db2.gz SAUPMRJKCFOVQE-LLVKDONJSA-N 1 2 346.431 3.670 20 0 EHADLO Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268146839 1140891236 /nfs/dbraw/zinc/89/12/36/1140891236.db2.gz JPTSYSHTVYWUGG-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268350098 1140925023 /nfs/dbraw/zinc/92/50/23/1140925023.db2.gz DEEPEYJBCKHLBJ-HNAYVOBHSA-N 1 2 339.439 3.538 20 0 EHADLO C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268357894 1140925573 /nfs/dbraw/zinc/92/55/73/1140925573.db2.gz GDFPFYONEVWCEU-DOMZBBRYSA-N 1 2 342.830 3.741 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000268363214 1140927269 /nfs/dbraw/zinc/92/72/69/1140927269.db2.gz USAIRZIOBSUPEN-INIZCTEOSA-N 1 2 326.444 3.599 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000268370901 1140928921 /nfs/dbraw/zinc/92/89/21/1140928921.db2.gz KGLDHCMWJIXHRN-RDJZCZTQSA-N 1 2 343.496 3.702 20 0 EHADLO COc1coc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1=O ZINC000268584043 1140958472 /nfs/dbraw/zinc/95/84/72/1140958472.db2.gz UGHKWTYFDYOKRC-UHFFFAOYSA-N 1 2 328.195 3.587 20 0 EHADLO COc1coc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1=O ZINC000268584043 1140958479 /nfs/dbraw/zinc/95/84/79/1140958479.db2.gz UGHKWTYFDYOKRC-UHFFFAOYSA-N 1 2 328.195 3.587 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1nnc2n1CCC2 ZINC000268735102 1140979768 /nfs/dbraw/zinc/97/97/68/1140979768.db2.gz BGJITFPPKBXGPA-OAHLLOKOSA-N 1 2 348.878 3.763 20 0 EHADLO Cc1noc(C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000268839212 1141005749 /nfs/dbraw/zinc/00/57/49/1141005749.db2.gz DZQBEDFZTVKVQR-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000268866366 1141012879 /nfs/dbraw/zinc/01/28/79/1141012879.db2.gz FNAIFNOHUJIAOM-CHWSQXEVSA-N 1 2 329.469 3.990 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c(OCCC)c1 ZINC000268929011 1141027309 /nfs/dbraw/zinc/02/73/09/1141027309.db2.gz SHNAKYYDLVDLSZ-GJZGRUSLSA-N 1 2 346.475 3.805 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000268961628 1141035069 /nfs/dbraw/zinc/03/50/69/1141035069.db2.gz ITJYOBIDDJOFHJ-OIISXLGYSA-N 1 2 329.444 3.791 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000268961628 1141035075 /nfs/dbraw/zinc/03/50/75/1141035075.db2.gz ITJYOBIDDJOFHJ-OIISXLGYSA-N 1 2 329.444 3.791 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000269087631 1141063017 /nfs/dbraw/zinc/06/30/17/1141063017.db2.gz PUPFHVZTXLANBP-NEPJUHHUSA-N 1 2 337.464 3.906 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(c1ccccn1)C1CCCC1 ZINC000269232255 1141082493 /nfs/dbraw/zinc/08/24/93/1141082493.db2.gz RHCGUTVRJXNKIV-UHFFFAOYSA-N 1 2 346.434 3.916 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269743558 1141140840 /nfs/dbraw/zinc/14/08/40/1141140840.db2.gz LSHWKAFITLZDIE-UHFFFAOYSA-N 1 2 341.455 3.708 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC000269982498 1141164783 /nfs/dbraw/zinc/16/47/83/1141164783.db2.gz NJYYJWDOVMMISO-SECBINFHSA-N 1 2 346.374 3.881 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000270330908 1141207968 /nfs/dbraw/zinc/20/79/68/1141207968.db2.gz SLZXUNFLZDDSOQ-SFHVURJKSA-N 1 2 342.439 3.753 20 0 EHADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271118430 1141309691 /nfs/dbraw/zinc/30/96/91/1141309691.db2.gz KJMOMBVYCUTOSH-RHSMWYFYSA-N 1 2 349.434 3.546 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1OCC(F)(F)F ZINC000271143856 1141314180 /nfs/dbraw/zinc/31/41/80/1141314180.db2.gz OXXZTLZDBCGQHG-JTQLQIEISA-N 1 2 346.374 3.944 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cscn1 ZINC000271193790 1141321681 /nfs/dbraw/zinc/32/16/81/1141321681.db2.gz YBABNTGWKHSKRI-CQSZACIVSA-N 1 2 326.469 3.856 20 0 EHADLO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cn1 ZINC000271281419 1141338236 /nfs/dbraw/zinc/33/82/36/1141338236.db2.gz CNHYNUITQLKVFE-AWEZNQCLSA-N 1 2 336.414 3.746 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(Cc1ccccc1)CC1CCC1 ZINC000271300405 1141341796 /nfs/dbraw/zinc/34/17/96/1141341796.db2.gz IJKFSSKULAJQNH-UHFFFAOYSA-N 1 2 346.434 3.710 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271422096 1141363064 /nfs/dbraw/zinc/36/30/64/1141363064.db2.gz ZNPUQGYQHSUHBM-WARSNTDWSA-N 1 2 327.424 3.507 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271422096 1141363071 /nfs/dbraw/zinc/36/30/71/1141363071.db2.gz ZNPUQGYQHSUHBM-WARSNTDWSA-N 1 2 327.424 3.507 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000271442477 1141368008 /nfs/dbraw/zinc/36/80/08/1141368008.db2.gz DLZRFTYCBWULHH-CQSZACIVSA-N 1 2 349.438 3.534 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[nH]1 ZINC000271537117 1141390849 /nfs/dbraw/zinc/39/08/49/1141390849.db2.gz QIUMYAOKOGQXCW-LSDHHAIUSA-N 1 2 338.459 3.585 20 0 EHADLO CC(C)c1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)no1 ZINC000274208746 1141485948 /nfs/dbraw/zinc/48/59/48/1141485948.db2.gz PUCHQEIBDGANTD-CYBMUJFWSA-N 1 2 348.472 3.770 20 0 EHADLO C[C@H]1CCN(Cc2nc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000274278562 1141492563 /nfs/dbraw/zinc/49/25/63/1141492563.db2.gz COKLRLPFAGDTAN-FZMZJTMJSA-N 1 2 325.243 3.668 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000274341342 1141499813 /nfs/dbraw/zinc/49/98/13/1141499813.db2.gz IKIOAEBHJXZKHH-AWEZNQCLSA-N 1 2 349.862 3.541 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000274341342 1141499817 /nfs/dbraw/zinc/49/98/17/1141499817.db2.gz IKIOAEBHJXZKHH-AWEZNQCLSA-N 1 2 349.862 3.541 20 0 EHADLO COc1ccc2c(CC(=O)Nc3ccccc3-n3cc[nH+]c3)coc2c1 ZINC000339130905 1141505098 /nfs/dbraw/zinc/50/50/98/1141505098.db2.gz PZHBHPDSWACMHZ-UHFFFAOYSA-N 1 2 347.374 3.808 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000339151602 1141511667 /nfs/dbraw/zinc/51/16/67/1141511667.db2.gz IKMHZFQORIIIDR-FDDCHVKYSA-N 1 2 328.412 3.598 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000274456807 1141534450 /nfs/dbraw/zinc/53/44/50/1141534450.db2.gz FJGMZLMUHSBQPD-ZDUSSCGKSA-N 1 2 335.835 3.534 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccncc1)Cc1ccccc1Cl ZINC000339250700 1141540500 /nfs/dbraw/zinc/54/05/00/1141540500.db2.gz ICTRDXLBIORZKF-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccncc1)Cc1ccccc1Cl ZINC000339250700 1141540501 /nfs/dbraw/zinc/54/05/01/1141540501.db2.gz ICTRDXLBIORZKF-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO CCOc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000339258500 1141542373 /nfs/dbraw/zinc/54/23/73/1141542373.db2.gz SFMSPXMPEUZTOI-UHFFFAOYSA-N 1 2 335.407 3.511 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283159805 1141564911 /nfs/dbraw/zinc/56/49/11/1141564911.db2.gz IMKFDYQYHNJHJP-MNEFBYGVSA-N 1 2 348.450 3.666 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348717731 1141569874 /nfs/dbraw/zinc/56/98/74/1141569874.db2.gz VAENPUQKWYPIIC-YJBOKZPZSA-N 1 2 328.460 3.841 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348717731 1141569875 /nfs/dbraw/zinc/56/98/75/1141569875.db2.gz VAENPUQKWYPIIC-YJBOKZPZSA-N 1 2 328.460 3.841 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000348810991 1141584487 /nfs/dbraw/zinc/58/44/87/1141584487.db2.gz APRPHYYISSJKNZ-LLVKDONJSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000348810991 1141584491 /nfs/dbraw/zinc/58/44/91/1141584491.db2.gz APRPHYYISSJKNZ-LLVKDONJSA-N 1 2 328.225 3.515 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](Cc3ccco3)C(C)C)o2)cc1 ZINC000349033471 1141625415 /nfs/dbraw/zinc/62/54/15/1141625415.db2.gz ZXFUVEZENMUNHL-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](Cc3ccco3)C(C)C)o2)cc1 ZINC000349033471 1141625419 /nfs/dbraw/zinc/62/54/19/1141625419.db2.gz ZXFUVEZENMUNHL-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349076187 1141633386 /nfs/dbraw/zinc/63/33/86/1141633386.db2.gz CEZYXHMVPKLEKU-PXNSSMCTSA-N 1 2 345.446 3.966 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023004964 202096444 /nfs/dbraw/zinc/09/64/44/202096444.db2.gz GOMJKKSVHHOJOC-AWEZNQCLSA-N 1 2 346.833 3.998 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032753104 202232564 /nfs/dbraw/zinc/23/25/64/202232564.db2.gz RCKUYHIFVVCFBI-UHFFFAOYSA-N 1 2 326.831 3.844 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032753104 202232566 /nfs/dbraw/zinc/23/25/66/202232566.db2.gz RCKUYHIFVVCFBI-UHFFFAOYSA-N 1 2 326.831 3.844 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000069067882 201164851 /nfs/dbraw/zinc/16/48/51/201164851.db2.gz RFFFFEWDXQLYTP-LLVKDONJSA-N 1 2 337.217 3.674 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000069067882 201164854 /nfs/dbraw/zinc/16/48/54/201164854.db2.gz RFFFFEWDXQLYTP-LLVKDONJSA-N 1 2 337.217 3.674 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000023822714 212396346 /nfs/dbraw/zinc/39/63/46/212396346.db2.gz GUKGBJAYJXCMOK-HNNXBMFYSA-N 1 2 328.843 3.859 20 0 EHADLO CC[C@H](C)Oc1nccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527849283 478546385 /nfs/dbraw/zinc/54/63/85/478546385.db2.gz LGQLBZJUVVSOMF-HNNXBMFYSA-N 1 2 337.427 3.511 20 0 EHADLO CCn1nccc1[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000299744871 564150577 /nfs/dbraw/zinc/15/05/77/564150577.db2.gz VBVXDHLFKVCQTH-XHDPSFHLSA-N 1 2 340.349 3.507 20 0 EHADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC2(CCCC2)CC1 ZINC000823791989 599568732 /nfs/dbraw/zinc/56/87/32/599568732.db2.gz LVBMCSUOJQEFCZ-UHFFFAOYSA-N 1 2 334.427 3.576 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1F ZINC000824200749 609381808 /nfs/dbraw/zinc/38/18/08/609381808.db2.gz UKDQCMUADWGPQR-HNNXBMFYSA-N 1 2 349.797 3.739 20 0 EHADLO COc1nccnc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000449011857 1032057637 /nfs/dbraw/zinc/05/76/37/1032057637.db2.gz VPWIRFHNWFXKIA-UHFFFAOYSA-N 1 2 337.345 3.669 20 0 EHADLO COc1nccnc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000449011857 1032057658 /nfs/dbraw/zinc/05/76/58/1032057658.db2.gz VPWIRFHNWFXKIA-UHFFFAOYSA-N 1 2 337.345 3.669 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449012165 1032059213 /nfs/dbraw/zinc/05/92/13/1032059213.db2.gz ZCURTDPBRFBZBD-CQSZACIVSA-N 1 2 334.847 3.963 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449012165 1032059228 /nfs/dbraw/zinc/05/92/28/1032059228.db2.gz ZCURTDPBRFBZBD-CQSZACIVSA-N 1 2 334.847 3.963 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1cc2ccccc2c(Cl)n1 ZINC000183230167 1125478988 /nfs/dbraw/zinc/47/89/88/1125478988.db2.gz HVIBENDCQCQEAZ-UHFFFAOYSA-N 1 2 333.178 3.694 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000620148648 1125485800 /nfs/dbraw/zinc/48/58/00/1125485800.db2.gz TZZRYYAGRHDZQG-NXEZZACHSA-N 1 2 329.322 3.731 20 0 EHADLO COc1cccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1OC(F)F ZINC000339265674 1014132346 /nfs/dbraw/zinc/13/23/46/1014132346.db2.gz OYBKQDDATRZJQR-UHFFFAOYSA-N 1 2 347.321 3.505 20 0 EHADLO Cc1cn2cc(NC(=O)c3c(C)onc3-c3ccccc3)ccc2[nH+]1 ZINC000339273149 1014138457 /nfs/dbraw/zinc/13/84/57/1014138457.db2.gz XHWSJUVDMPCJOC-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO CCc1nocc1CNC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000339365857 1014284482 /nfs/dbraw/zinc/28/44/82/1014284482.db2.gz XUHPLELMGYYQHG-INIZCTEOSA-N 1 2 341.377 3.648 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2csc(COc3ccccc3)n2)cn1 ZINC000274624778 1014359456 /nfs/dbraw/zinc/35/94/56/1014359456.db2.gz GRNMQROXPVUZDJ-AWEZNQCLSA-N 1 2 342.468 3.789 20 0 EHADLO CC1CCC(N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000339428624 1014410282 /nfs/dbraw/zinc/41/02/82/1014410282.db2.gz QPOXHBSTLGYTBD-UHFFFAOYSA-N 1 2 325.456 3.511 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000339475370 1014548084 /nfs/dbraw/zinc/54/80/84/1014548084.db2.gz GLZXDHVIVZTEMH-SFHVURJKSA-N 1 2 339.483 3.785 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2Cc3c2cccc3Cl)c1C ZINC000528312059 1032097178 /nfs/dbraw/zinc/09/71/78/1032097178.db2.gz PMURJSYCORYZLV-OAHLLOKOSA-N 1 2 344.842 3.659 20 0 EHADLO CNc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC001625787374 1014645589 /nfs/dbraw/zinc/64/55/89/1014645589.db2.gz DNANISRJXYUEPY-UHFFFAOYSA-N 1 2 347.422 3.575 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000014527407 1014777936 /nfs/dbraw/zinc/77/79/36/1014777936.db2.gz HKYVPQYEAUOEFZ-UHFFFAOYSA-N 1 2 343.496 3.865 20 0 EHADLO CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538016323 1032104046 /nfs/dbraw/zinc/10/40/46/1032104046.db2.gz ZUUQGFOVLLINBE-UVBJJODRSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538016323 1032104053 /nfs/dbraw/zinc/10/40/53/1032104053.db2.gz ZUUQGFOVLLINBE-UVBJJODRSA-N 1 2 341.858 3.712 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC34CCCC4)c2C1 ZINC000430204595 1014893818 /nfs/dbraw/zinc/89/38/18/1014893818.db2.gz RTQKGSYKZLMWNO-IBGZPJMESA-N 1 2 349.478 3.675 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC34CCCC4)c2C1 ZINC000430204595 1014893835 /nfs/dbraw/zinc/89/38/35/1014893835.db2.gz RTQKGSYKZLMWNO-IBGZPJMESA-N 1 2 349.478 3.675 20 0 EHADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274762077 1014986815 /nfs/dbraw/zinc/98/68/15/1014986815.db2.gz DXNIGAXFRGEQFN-TXPKVOOTSA-N 1 2 345.487 3.732 20 0 EHADLO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000065940780 1014999958 /nfs/dbraw/zinc/99/99/58/1014999958.db2.gz DNYYOUSZWCGAHP-OAHLLOKOSA-N 1 2 334.345 3.654 20 0 EHADLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000065940780 1014999962 /nfs/dbraw/zinc/99/99/62/1014999962.db2.gz DNYYOUSZWCGAHP-OAHLLOKOSA-N 1 2 334.345 3.654 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000066385650 1015054335 /nfs/dbraw/zinc/05/43/35/1015054335.db2.gz OHIAHEHYGWXZDG-CQSZACIVSA-N 1 2 340.452 3.803 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000655146501 1015144134 /nfs/dbraw/zinc/14/41/34/1015144134.db2.gz MJDWBNBYWVKRMS-ONIAQPFYSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000655146501 1015144143 /nfs/dbraw/zinc/14/41/43/1015144143.db2.gz MJDWBNBYWVKRMS-ONIAQPFYSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC(c4ccccc4)(C(C)C)C3)ccn12 ZINC000655147662 1015139434 /nfs/dbraw/zinc/13/94/34/1015139434.db2.gz UXGZSUAQLGJWKH-UHFFFAOYSA-N 1 2 333.435 3.693 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000547688165 1015195982 /nfs/dbraw/zinc/19/59/82/1015195982.db2.gz ATXSJQZQVDVZKZ-AOIWGVFYSA-N 1 2 347.503 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3CCc3ccccc3)[nH+]c12 ZINC000624765753 1015235286 /nfs/dbraw/zinc/23/52/86/1015235286.db2.gz UTIOCGNUTICMNO-HXUWFJFHSA-N 1 2 347.462 3.809 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc[nH+]1 ZINC000010165148 1015269635 /nfs/dbraw/zinc/26/96/35/1015269635.db2.gz IMIMZWIGRKFUGM-UHFFFAOYSA-N 1 2 327.384 3.989 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1Cl ZINC000179412336 1015379684 /nfs/dbraw/zinc/37/96/84/1015379684.db2.gz AEYMPMQDMNKMIO-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1Cl ZINC000179412336 1015379691 /nfs/dbraw/zinc/37/96/91/1015379691.db2.gz AEYMPMQDMNKMIO-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430255047 1015386724 /nfs/dbraw/zinc/38/67/24/1015386724.db2.gz HTIRTWWYQVFGRG-GLJUWKHASA-N 1 2 339.863 3.507 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430255047 1015386737 /nfs/dbraw/zinc/38/67/37/1015386737.db2.gz HTIRTWWYQVFGRG-GLJUWKHASA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(F)c1 ZINC000655360564 1015410782 /nfs/dbraw/zinc/41/07/82/1015410782.db2.gz JWTAFCIFGJLFPL-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)cc1 ZINC000339656848 1015471607 /nfs/dbraw/zinc/47/16/07/1015471607.db2.gz IJMLECKBQGERCK-CQSZACIVSA-N 1 2 345.786 3.636 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)cc1 ZINC000339656848 1015471619 /nfs/dbraw/zinc/47/16/19/1015471619.db2.gz IJMLECKBQGERCK-CQSZACIVSA-N 1 2 345.786 3.636 20 0 EHADLO Cc1nc(N2CCO[C@H](C(F)(F)F)C2)cc(C2CCCCC2)[nH+]1 ZINC001167085795 1015494315 /nfs/dbraw/zinc/49/43/15/1015494315.db2.gz STZLXIMXTFZWKD-AWEZNQCLSA-N 1 2 329.366 3.600 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000179655607 1015535677 /nfs/dbraw/zinc/53/56/77/1015535677.db2.gz FQQWCQLPMVOMCZ-UHFFFAOYSA-N 1 2 330.403 3.735 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603423 990267393 /nfs/dbraw/zinc/26/73/93/990267393.db2.gz ZNGGGSDONAKUQX-BBRMVZONSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603423 990267398 /nfs/dbraw/zinc/26/73/98/990267398.db2.gz ZNGGGSDONAKUQX-BBRMVZONSA-N 1 2 347.484 3.705 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047050 1032120668 /nfs/dbraw/zinc/12/06/68/1032120668.db2.gz MQAJNNCJBMDHFW-OYLFLEFRSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047050 1032120680 /nfs/dbraw/zinc/12/06/80/1032120680.db2.gz MQAJNNCJBMDHFW-OYLFLEFRSA-N 1 2 345.512 3.929 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC(F)(F)C1 ZINC000339850303 1015750400 /nfs/dbraw/zinc/75/04/00/1015750400.db2.gz PLDRKMZHJNOLRP-UHFFFAOYSA-N 1 2 329.350 3.586 20 0 EHADLO Clc1ccccc1OC1CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001139989919 1015784440 /nfs/dbraw/zinc/78/44/40/1015784440.db2.gz ACEWDDLLHGAOFO-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000430285482 1015789182 /nfs/dbraw/zinc/78/91/82/1015789182.db2.gz QUDXWPBMTFJYOQ-ZDUSSCGKSA-N 1 2 327.453 3.647 20 0 EHADLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000430285482 1015789183 /nfs/dbraw/zinc/78/91/83/1015789183.db2.gz QUDXWPBMTFJYOQ-ZDUSSCGKSA-N 1 2 327.453 3.647 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154893743 1015912159 /nfs/dbraw/zinc/91/21/59/1015912159.db2.gz PPOQKGYBWLRIMS-ZBFHGGJFSA-N 1 2 346.500 3.960 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154893743 1015912175 /nfs/dbraw/zinc/91/21/75/1015912175.db2.gz PPOQKGYBWLRIMS-ZBFHGGJFSA-N 1 2 346.500 3.960 20 0 EHADLO Clc1cc(Cl)cc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000339926427 1015952838 /nfs/dbraw/zinc/95/28/38/1015952838.db2.gz LSZFRAYFHRNCQD-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079504864 1015970931 /nfs/dbraw/zinc/97/09/31/1015970931.db2.gz RNLASSXJIJONMK-KRWDZBQOSA-N 1 2 344.480 3.524 20 0 EHADLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000079504864 1015970942 /nfs/dbraw/zinc/97/09/42/1015970942.db2.gz RNLASSXJIJONMK-KRWDZBQOSA-N 1 2 344.480 3.524 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2cc(Br)ccc2Cl)cnn1C ZINC000494267122 1120524322 /nfs/dbraw/zinc/52/43/22/1120524322.db2.gz DJAWNQDJACVXRV-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000081317745 1016052090 /nfs/dbraw/zinc/05/20/90/1016052090.db2.gz AGEBMYXFHXUGQL-JXOMPUQVSA-N 1 2 331.419 3.534 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cncc(F)c2)c(SC)cc1OC ZINC000275174924 1016113980 /nfs/dbraw/zinc/11/39/80/1016113980.db2.gz YNDZUUWBNSYUKA-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cncc(F)c2)c(SC)cc1OC ZINC000275174924 1016113991 /nfs/dbraw/zinc/11/39/91/1016113991.db2.gz YNDZUUWBNSYUKA-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000047514950 1016143601 /nfs/dbraw/zinc/14/36/01/1016143601.db2.gz QSEOFQSPDPMLMG-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CSc2ccccc21 ZINC000118213917 1032141753 /nfs/dbraw/zinc/14/17/53/1032141753.db2.gz BDJGPIBPPCWWFI-AWEZNQCLSA-N 1 2 339.395 3.839 20 0 EHADLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2Cl)s1 ZINC000155138728 1016200423 /nfs/dbraw/zinc/20/04/23/1016200423.db2.gz DUYFNZNLNQJZPZ-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2Cl)s1 ZINC000155138728 1016200430 /nfs/dbraw/zinc/20/04/30/1016200430.db2.gz DUYFNZNLNQJZPZ-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045915492 1016201362 /nfs/dbraw/zinc/20/13/62/1016201362.db2.gz FOTYRXSTPJDHBF-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045915492 1016201373 /nfs/dbraw/zinc/20/13/73/1016201373.db2.gz FOTYRXSTPJDHBF-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(Cl)s1)C2 ZINC001204441110 1016264145 /nfs/dbraw/zinc/26/41/45/1016264145.db2.gz ZMXQUZXYTQYQTI-BONVTDFDSA-N 1 2 328.865 3.501 20 0 EHADLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)s1)C2 ZINC001204441110 1016264149 /nfs/dbraw/zinc/26/41/49/1016264149.db2.gz ZMXQUZXYTQYQTI-BONVTDFDSA-N 1 2 328.865 3.501 20 0 EHADLO Cc1cc(N2CCO[C@](C)(c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC001167139588 1016282164 /nfs/dbraw/zinc/28/21/64/1016282164.db2.gz DVVFCXKVQFKEDJ-IBGZPJMESA-N 1 2 329.419 3.800 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)oc1C ZINC000376555080 1016421126 /nfs/dbraw/zinc/42/11/26/1016421126.db2.gz UEFPKBFCRBKWAL-QGZVFWFLSA-N 1 2 349.475 3.705 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)oc1C ZINC000376555080 1016421137 /nfs/dbraw/zinc/42/11/37/1016421137.db2.gz UEFPKBFCRBKWAL-QGZVFWFLSA-N 1 2 349.475 3.705 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000430375610 1016535081 /nfs/dbraw/zinc/53/50/81/1016535081.db2.gz YMGFXDRJTTUFOA-UONOGXRCSA-N 1 2 348.516 3.805 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000430375610 1016535094 /nfs/dbraw/zinc/53/50/94/1016535094.db2.gz YMGFXDRJTTUFOA-UONOGXRCSA-N 1 2 348.516 3.805 20 0 EHADLO O=C(NC1(Cc2ccccc2)CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000613561535 1016547360 /nfs/dbraw/zinc/54/73/60/1016547360.db2.gz RATWWUNHZATCBF-SFHVURJKSA-N 1 2 337.467 3.507 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000340188782 1016644448 /nfs/dbraw/zinc/64/44/48/1016644448.db2.gz NNZYVEBXZSFDJO-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000340188782 1016644458 /nfs/dbraw/zinc/64/44/58/1016644458.db2.gz NNZYVEBXZSFDJO-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO Cc1cc(NC(=O)C2(Cc3ccccc3Br)CC2)cc[nH+]1 ZINC000340232286 1016746116 /nfs/dbraw/zinc/74/61/16/1016746116.db2.gz QUTPSGNBWNAPET-UHFFFAOYSA-N 1 2 345.240 3.536 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000340246132 1016777883 /nfs/dbraw/zinc/77/78/83/1016777883.db2.gz UQPLTSPMXHNEHK-UHFFFAOYSA-N 1 2 332.766 3.791 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841219 1016796243 /nfs/dbraw/zinc/79/62/43/1016796243.db2.gz ROLPHPFKSFFJNH-BZUAXINKSA-N 1 2 339.483 3.704 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841219 1016796254 /nfs/dbraw/zinc/79/62/54/1016796254.db2.gz ROLPHPFKSFFJNH-BZUAXINKSA-N 1 2 339.483 3.704 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1O ZINC000340327867 1016950262 /nfs/dbraw/zinc/95/02/62/1016950262.db2.gz YJVRQJBJSVLBFI-UHFFFAOYSA-N 1 2 341.798 3.851 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376630066 1016959611 /nfs/dbraw/zinc/95/96/11/1016959611.db2.gz YWDPUNBXVXNIBW-INIZCTEOSA-N 1 2 325.456 3.687 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376630066 1016959623 /nfs/dbraw/zinc/95/96/23/1016959623.db2.gz YWDPUNBXVXNIBW-INIZCTEOSA-N 1 2 325.456 3.687 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000084774871 1017002145 /nfs/dbraw/zinc/00/21/45/1017002145.db2.gz RXIQYJVXKFZEGW-ZZXKWVIFSA-N 1 2 333.435 3.713 20 0 EHADLO c1nc(C2CCC2)sc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000120950247 1017045325 /nfs/dbraw/zinc/04/53/25/1017045325.db2.gz PPSKZBYJJBXPKK-UHFFFAOYSA-N 1 2 343.496 3.855 20 0 EHADLO CC(C)c1ncc(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000120960738 1017047117 /nfs/dbraw/zinc/04/71/17/1017047117.db2.gz PXCMIUCFVNYOCP-UHFFFAOYSA-N 1 2 331.485 3.711 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188116736 1017049880 /nfs/dbraw/zinc/04/98/80/1017049880.db2.gz GIVMDOQAOQUMNZ-NRFANRHFSA-N 1 2 345.402 3.615 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1c(F)cccc1F ZINC000538126497 1032167279 /nfs/dbraw/zinc/16/72/79/1032167279.db2.gz XAOLRHSFGUGGFG-KBPBESRZSA-N 1 2 344.405 3.983 20 0 EHADLO CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000183254998 1032185285 /nfs/dbraw/zinc/18/52/85/1032185285.db2.gz KTJZKYUZNWFOGB-DZGCQCFKSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528379058 1032186578 /nfs/dbraw/zinc/18/65/78/1032186578.db2.gz GZBQGGWNJLEUQF-GOSISDBHSA-N 1 2 335.469 3.821 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528379058 1032186582 /nfs/dbraw/zinc/18/65/82/1032186582.db2.gz GZBQGGWNJLEUQF-GOSISDBHSA-N 1 2 335.469 3.821 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2ccc(OCC(F)(F)F)cc2)[nH+]1 ZINC000080778447 1032200768 /nfs/dbraw/zinc/20/07/68/1032200768.db2.gz RKUIQGOHWIYHNE-UHFFFAOYSA-N 1 2 336.317 3.820 20 0 EHADLO Fc1ccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000080973788 1032234120 /nfs/dbraw/zinc/23/41/20/1032234120.db2.gz JJDQODONDLYZDL-GFCCVEGCSA-N 1 2 338.224 3.691 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459533248 1032253817 /nfs/dbraw/zinc/25/38/17/1032253817.db2.gz SEGNHJCAGXMABN-WPRPVWTQSA-N 1 2 338.167 3.927 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(O)c1Br ZINC000459533248 1032253823 /nfs/dbraw/zinc/25/38/23/1032253823.db2.gz SEGNHJCAGXMABN-WPRPVWTQSA-N 1 2 338.167 3.927 20 0 EHADLO CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000081071403 1032259325 /nfs/dbraw/zinc/25/93/25/1032259325.db2.gz SICDOJAXMLFLLA-HOTGVXAUSA-N 1 2 342.443 3.614 20 0 EHADLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCC1 ZINC000127780391 1032263393 /nfs/dbraw/zinc/26/33/93/1032263393.db2.gz NGMOSEFQQQKAHD-JVPBZIDWSA-N 1 2 338.455 3.600 20 0 EHADLO C[S@](=O)c1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1 ZINC000459557620 1032276582 /nfs/dbraw/zinc/27/65/82/1032276582.db2.gz HNQXKCFGLQHYKH-QFIPXVFZSA-N 1 2 333.884 3.752 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCn2cncc2C1 ZINC000459560013 1032279117 /nfs/dbraw/zinc/27/91/17/1032279117.db2.gz JDTJLDUNFDSZOS-UHFFFAOYSA-N 1 2 333.435 3.883 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCn2cncc2C1 ZINC000459560013 1032279129 /nfs/dbraw/zinc/27/91/29/1032279129.db2.gz JDTJLDUNFDSZOS-UHFFFAOYSA-N 1 2 333.435 3.883 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(N3CCCC3=O)cc2)n1-c1ccccc1 ZINC000081292567 1032290177 /nfs/dbraw/zinc/29/01/77/1032290177.db2.gz QTSFGSYZLCSOQY-UHFFFAOYSA-N 1 2 346.434 3.920 20 0 EHADLO CCC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)CC(F)F ZINC000485091073 1032303627 /nfs/dbraw/zinc/30/36/27/1032303627.db2.gz MUXUWCMJOWZMSW-UHFFFAOYSA-N 1 2 334.794 3.654 20 0 EHADLO CCC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)CC(F)F ZINC000485091073 1032303638 /nfs/dbraw/zinc/30/36/38/1032303638.db2.gz MUXUWCMJOWZMSW-UHFFFAOYSA-N 1 2 334.794 3.654 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459590028 1032310770 /nfs/dbraw/zinc/31/07/70/1032310770.db2.gz IRZLMVMJGVLJTO-UHFFFAOYSA-N 1 2 343.471 3.680 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459590028 1032310782 /nfs/dbraw/zinc/31/07/82/1032310782.db2.gz IRZLMVMJGVLJTO-UHFFFAOYSA-N 1 2 343.471 3.680 20 0 EHADLO CC[N@H+](CC(=O)N1CC2(CCC2)[C@@H]1C1CC1)Cc1ccccc1Cl ZINC000461184980 1032316462 /nfs/dbraw/zinc/31/64/62/1032316462.db2.gz AVZRVASUEMWEFD-IBGZPJMESA-N 1 2 346.902 3.953 20 0 EHADLO CC[N@@H+](CC(=O)N1CC2(CCC2)[C@@H]1C1CC1)Cc1ccccc1Cl ZINC000461184980 1032316471 /nfs/dbraw/zinc/31/64/71/1032316471.db2.gz AVZRVASUEMWEFD-IBGZPJMESA-N 1 2 346.902 3.953 20 0 EHADLO COc1cccc2c(CNc3ccc[nH+]c3N3CCOCC3)cccc12 ZINC000449219355 1032336422 /nfs/dbraw/zinc/33/64/22/1032336422.db2.gz DGETYZHKNAVZGK-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1C ZINC000459632519 1032348893 /nfs/dbraw/zinc/34/88/93/1032348893.db2.gz NMUOCGUNLGOCSY-GHMZBOCLSA-N 1 2 334.441 3.732 20 0 EHADLO CCn1nc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c2ccccc21 ZINC000459645452 1032366896 /nfs/dbraw/zinc/36/68/96/1032366896.db2.gz GRYHBLLQZOVCPG-GFCCVEGCSA-N 1 2 326.469 3.852 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185341119 1032381501 /nfs/dbraw/zinc/38/15/01/1032381501.db2.gz DBYIEHCDPXHTPY-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H](C)c1ccccc1 ZINC000083229210 1032391060 /nfs/dbraw/zinc/39/10/60/1032391060.db2.gz MMXLOUFJLCTSTK-SJORKVTESA-N 1 2 348.450 3.864 20 0 EHADLO CCOc1c(C[NH2+]Cc2ccc(C)c(C)n2)c(C)nn1CC(C)C ZINC000459666095 1032393181 /nfs/dbraw/zinc/39/31/81/1032393181.db2.gz LHTUPFNHJZBSOD-UHFFFAOYSA-N 1 2 330.476 3.548 20 0 EHADLO CC[C@@](O)(C[NH2+][C@H](c1ccco1)c1ccccc1OC)C(F)(F)F ZINC000905259357 1032396071 /nfs/dbraw/zinc/39/60/71/1032396071.db2.gz DSTKAEKJWWIYLL-JKSUJKDBSA-N 1 2 343.345 3.671 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528519773 1032396579 /nfs/dbraw/zinc/39/65/79/1032396579.db2.gz NMMAVTPEVXMXKS-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528519773 1032396583 /nfs/dbraw/zinc/39/65/83/1032396583.db2.gz NMMAVTPEVXMXKS-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000929113122 1032418380 /nfs/dbraw/zinc/41/83/80/1032418380.db2.gz XYQRXJQFSSTCGS-NSHDSACASA-N 1 2 327.350 3.641 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000929113122 1032418383 /nfs/dbraw/zinc/41/83/83/1032418383.db2.gz XYQRXJQFSSTCGS-NSHDSACASA-N 1 2 327.350 3.641 20 0 EHADLO COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000080995623 1032456115 /nfs/dbraw/zinc/45/61/15/1032456115.db2.gz UJQCTGMSPYNXON-INIZCTEOSA-N 1 2 349.434 3.584 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3cccnc3o2)C[C@](C)(C(F)(F)F)O1 ZINC000449343103 1032458283 /nfs/dbraw/zinc/45/82/83/1032458283.db2.gz HQCCWRGBDXHRLC-OAHLLOKOSA-N 1 2 328.334 3.760 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3cccnc3o2)C[C@](C)(C(F)(F)F)O1 ZINC000449343103 1032458289 /nfs/dbraw/zinc/45/82/89/1032458289.db2.gz HQCCWRGBDXHRLC-OAHLLOKOSA-N 1 2 328.334 3.760 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1)C(F)F ZINC000449362171 1032499561 /nfs/dbraw/zinc/49/95/61/1032499561.db2.gz MJVAGMVVPKYZBT-JTQLQIEISA-N 1 2 327.293 3.770 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)[nH]2)cc1 ZINC000537097388 1032509610 /nfs/dbraw/zinc/50/96/10/1032509610.db2.gz MZLPLLCNQWZBMW-QGZVFWFLSA-N 1 2 340.377 3.917 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCCc4cc(F)ccc43)n2)cc1 ZINC000537097388 1032509614 /nfs/dbraw/zinc/50/96/14/1032509614.db2.gz MZLPLLCNQWZBMW-QGZVFWFLSA-N 1 2 340.377 3.917 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)cc(OC)c1OCc1ccccc1 ZINC000449386710 1032512006 /nfs/dbraw/zinc/51/20/06/1032512006.db2.gz JFXITJUIRBXSPS-KRWDZBQOSA-N 1 2 345.414 3.827 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](F)C2)cc(OC)c1OCc1ccccc1 ZINC000449386710 1032512014 /nfs/dbraw/zinc/51/20/14/1032512014.db2.gz JFXITJUIRBXSPS-KRWDZBQOSA-N 1 2 345.414 3.827 20 0 EHADLO Cn1ccc([C@@H]([NH2+]CCOC2CCCCCC2)c2ccc(F)cc2)n1 ZINC000537193425 1032552536 /nfs/dbraw/zinc/55/25/36/1032552536.db2.gz IUADLIGWESQVFT-FQEVSTJZSA-N 1 2 345.462 3.978 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1cccnc1 ZINC000119055699 1032556543 /nfs/dbraw/zinc/55/65/43/1032556543.db2.gz FRRJSIFGYIVICM-UHFFFAOYSA-N 1 2 345.446 3.747 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1cccnc1 ZINC000119055699 1032556548 /nfs/dbraw/zinc/55/65/48/1032556548.db2.gz FRRJSIFGYIVICM-UHFFFAOYSA-N 1 2 345.446 3.747 20 0 EHADLO Brc1ccc2c(c1)N(CCCn1cc[nH+]c1)CC21CC1 ZINC000528649046 1032554717 /nfs/dbraw/zinc/55/47/17/1032554717.db2.gz OFLUYAIHIFTAIF-UHFFFAOYSA-N 1 2 332.245 3.588 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000592817831 1032590658 /nfs/dbraw/zinc/59/06/58/1032590658.db2.gz ANQKUFVPVLJOFF-AWEZNQCLSA-N 1 2 347.409 3.642 20 0 EHADLO CN(C)C(=O)[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccccc1 ZINC000628209571 1032592370 /nfs/dbraw/zinc/59/23/70/1032592370.db2.gz KSPAMSCLFRDYJN-CYBMUJFWSA-N 1 2 342.386 3.686 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)[nH+]c12 ZINC000606217740 1032595592 /nfs/dbraw/zinc/59/55/92/1032595592.db2.gz WWISKOPWHAZRAY-MSOLQXFVSA-N 1 2 347.462 3.898 20 0 EHADLO CC(C)Oc1ccnc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000593016817 1032644131 /nfs/dbraw/zinc/64/41/31/1032644131.db2.gz WJJZZGJMQDFIMH-OWJWWREXSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)Oc1ccnc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000593016817 1032644133 /nfs/dbraw/zinc/64/41/33/1032644133.db2.gz WJJZZGJMQDFIMH-OWJWWREXSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)Oc1ccnc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000593016812 1032644163 /nfs/dbraw/zinc/64/41/63/1032644163.db2.gz WJJZZGJMQDFIMH-IZHWHUGBSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)Oc1ccnc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000593016812 1032644166 /nfs/dbraw/zinc/64/41/66/1032644166.db2.gz WJJZZGJMQDFIMH-IZHWHUGBSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193375976 1032677969 /nfs/dbraw/zinc/67/79/69/1032677969.db2.gz BZSQGTAMKKEGKI-UHFFFAOYSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1Cl ZINC000892721180 1017181018 /nfs/dbraw/zinc/18/10/18/1017181018.db2.gz OYZLUDRUNSGHRT-INIZCTEOSA-N 1 2 331.851 3.745 20 0 EHADLO CCn1nc(C)cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683454448 1017223722 /nfs/dbraw/zinc/22/37/22/1017223722.db2.gz JQTGQKMPUFNKLV-UHFFFAOYSA-N 1 2 349.438 3.664 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606449413 1032688778 /nfs/dbraw/zinc/68/87/78/1032688778.db2.gz VRWQEOJBIRTHLG-HNNXBMFYSA-N 1 2 338.426 3.724 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606449413 1032688791 /nfs/dbraw/zinc/68/87/91/1032688791.db2.gz VRWQEOJBIRTHLG-HNNXBMFYSA-N 1 2 338.426 3.724 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC000188839900 1017298171 /nfs/dbraw/zinc/29/81/71/1017298171.db2.gz IKUUFPPYQOXIBU-UHFFFAOYSA-N 1 2 339.483 3.679 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606450415 1032690466 /nfs/dbraw/zinc/69/04/66/1032690466.db2.gz ZFGYCIDXJQPHJD-HNNXBMFYSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606450415 1032690473 /nfs/dbraw/zinc/69/04/73/1032690473.db2.gz ZFGYCIDXJQPHJD-HNNXBMFYSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000606449927 1032691378 /nfs/dbraw/zinc/69/13/78/1032691378.db2.gz JTVDJCNRBNGTFZ-AWEZNQCLSA-N 1 2 338.426 3.872 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000606449927 1032691387 /nfs/dbraw/zinc/69/13/87/1032691387.db2.gz JTVDJCNRBNGTFZ-AWEZNQCLSA-N 1 2 338.426 3.872 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606450348 1032691579 /nfs/dbraw/zinc/69/15/79/1032691579.db2.gz XJCXASORXIRFLJ-GJZGRUSLSA-N 1 2 326.415 3.622 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606450348 1032691584 /nfs/dbraw/zinc/69/15/84/1032691584.db2.gz XJCXASORXIRFLJ-GJZGRUSLSA-N 1 2 326.415 3.622 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccc(F)cc1 ZINC000606449506 1032693241 /nfs/dbraw/zinc/69/32/41/1032693241.db2.gz XVNCKVHDJIFUNP-ZIAGYGMSSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccc(F)cc1 ZINC000606449506 1032693256 /nfs/dbraw/zinc/69/32/56/1032693256.db2.gz XVNCKVHDJIFUNP-ZIAGYGMSSA-N 1 2 344.405 3.761 20 0 EHADLO Fc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)c(Br)c1 ZINC000580285345 1017365130 /nfs/dbraw/zinc/36/51/30/1017365130.db2.gz AMPHLDDSLBLJKX-UHFFFAOYSA-N 1 2 335.220 3.762 20 0 EHADLO Cc1[nH]nc(-c2ccccc2)c1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000579938910 1017430574 /nfs/dbraw/zinc/43/05/74/1017430574.db2.gz YREYAKKSBBHCBQ-UHFFFAOYSA-N 1 2 345.406 3.522 20 0 EHADLO COCc1cc[nH+]c(NCc2ccc(Br)cc2OC)c1 ZINC000650243613 1017451228 /nfs/dbraw/zinc/45/12/28/1017451228.db2.gz HTWNDFRWOWNRMK-UHFFFAOYSA-N 1 2 337.217 3.611 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000377244133 1017521512 /nfs/dbraw/zinc/52/15/12/1017521512.db2.gz WLHHIBRMWXNRRH-JTQLQIEISA-N 1 2 339.226 3.748 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cc2cnccc2o1)c1nnc2n1CCCCC2 ZINC000657864790 1032705324 /nfs/dbraw/zinc/70/53/24/1032705324.db2.gz OFGUEPYBPAQCOJ-HIFRSBDPSA-N 1 2 339.443 3.948 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574051946 1032707516 /nfs/dbraw/zinc/70/75/16/1032707516.db2.gz PKUDRYUMCFJISP-NWDGAFQWSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574051946 1032707530 /nfs/dbraw/zinc/70/75/30/1032707530.db2.gz PKUDRYUMCFJISP-NWDGAFQWSA-N 1 2 339.361 3.827 20 0 EHADLO CC(C)Cc1cccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000655796640 1017630713 /nfs/dbraw/zinc/63/07/13/1017630713.db2.gz GJACSQZNAMARON-WMLDXEAASA-N 1 2 328.460 3.706 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)C1CCCC1 ZINC000655798053 1017638413 /nfs/dbraw/zinc/63/84/13/1017638413.db2.gz VVQQDJLXBPZLBY-HKUYNNGSSA-N 1 2 340.471 3.986 20 0 EHADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)n1 ZINC000655814704 1017676735 /nfs/dbraw/zinc/67/67/35/1017676735.db2.gz PPNIQHMCHDIRHL-CQSZACIVSA-N 1 2 341.484 3.810 20 0 EHADLO Cc1cc(N2CCC[C@@H]2C[C@H](O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000892903836 1017680921 /nfs/dbraw/zinc/68/09/21/1017680921.db2.gz XSNJFJVLXBXILQ-CVEARBPZSA-N 1 2 327.428 3.738 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1F ZINC000472755061 1017721684 /nfs/dbraw/zinc/72/16/84/1017721684.db2.gz TXEZLNBTTSIUBQ-UHFFFAOYSA-N 1 2 339.389 3.835 20 0 EHADLO CCOc1cccc(/C=C/C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001266515913 1017737000 /nfs/dbraw/zinc/73/70/00/1017737000.db2.gz MMNAGLAJTLEAQC-ZRDIBKRKSA-N 1 2 325.412 3.507 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ncc(Br)cn1 ZINC000340425800 1017738087 /nfs/dbraw/zinc/73/80/87/1017738087.db2.gz UMPKMDJIYYQYIE-LKFCYVNXSA-N 1 2 336.208 3.716 20 0 EHADLO FC(F)(F)[C@H](C[C@@H]1CCCO1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000655853584 1017788857 /nfs/dbraw/zinc/78/88/57/1017788857.db2.gz MAUGKQORNCVZRH-JSGCOSHPSA-N 1 2 345.390 3.523 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2noc3ccccc23)cc1OC ZINC000655854740 1017791077 /nfs/dbraw/zinc/79/10/77/1017791077.db2.gz USAIOPFPGSYZRE-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892945471 1017858895 /nfs/dbraw/zinc/85/88/95/1017858895.db2.gz ZJMNZPMYZXRTLH-FQEVSTJZSA-N 1 2 348.450 3.502 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)nc(C(C)C)[nH+]1 ZINC000579978128 1017947766 /nfs/dbraw/zinc/94/77/66/1017947766.db2.gz UEYLACYMZPIHAP-AWEZNQCLSA-N 1 2 339.418 3.828 20 0 EHADLO C[C@@H](NC[C@@H](c1ccco1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343845641 1017949562 /nfs/dbraw/zinc/94/95/62/1017949562.db2.gz YASLVXSSVLFSFN-ZJUUUORDSA-N 1 2 333.379 3.708 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152069 1017951867 /nfs/dbraw/zinc/95/18/67/1017951867.db2.gz OPMFACLMUPDTPK-UONOGXRCSA-N 1 2 337.872 3.935 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152069 1017951874 /nfs/dbraw/zinc/95/18/74/1017951874.db2.gz OPMFACLMUPDTPK-UONOGXRCSA-N 1 2 337.872 3.935 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(Br)nc1N ZINC000929132350 1032735498 /nfs/dbraw/zinc/73/54/98/1032735498.db2.gz GUSNWNTYVHVPCG-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(Br)nc1N ZINC000929132350 1032735516 /nfs/dbraw/zinc/73/55/16/1032735516.db2.gz GUSNWNTYVHVPCG-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO Cc1cn(C[N@@H+](C)Cc2ccccc2)c(=O)n1-c1ccccc1Cl ZINC000728705013 1018022599 /nfs/dbraw/zinc/02/25/99/1018022599.db2.gz KOEXXGOAZUUJIX-UHFFFAOYSA-N 1 2 341.842 3.690 20 0 EHADLO Cc1cn(C[N@H+](C)Cc2ccccc2)c(=O)n1-c1ccccc1Cl ZINC000728705013 1018022613 /nfs/dbraw/zinc/02/26/13/1018022613.db2.gz KOEXXGOAZUUJIX-UHFFFAOYSA-N 1 2 341.842 3.690 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000066795969 1018162302 /nfs/dbraw/zinc/16/23/02/1018162302.db2.gz JXQCKQZJLICGRD-GOSISDBHSA-N 1 2 339.483 3.768 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000066795969 1018162320 /nfs/dbraw/zinc/16/23/20/1018162320.db2.gz JXQCKQZJLICGRD-GOSISDBHSA-N 1 2 339.483 3.768 20 0 EHADLO CC1(C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C[C@H]1Oc1ccccc1 ZINC000340528221 1018221685 /nfs/dbraw/zinc/22/16/85/1018221685.db2.gz MGWWNBCNCISNSV-RTBURBONSA-N 1 2 348.450 3.603 20 0 EHADLO CCn1cc(C[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C(C)C)cn1 ZINC000593083134 1032752217 /nfs/dbraw/zinc/75/22/17/1032752217.db2.gz YXHIQEAJWUHXPL-UHFFFAOYSA-N 1 2 349.862 3.754 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C(C)C)cn1 ZINC000593083134 1032752239 /nfs/dbraw/zinc/75/22/39/1032752239.db2.gz YXHIQEAJWUHXPL-UHFFFAOYSA-N 1 2 349.862 3.754 20 0 EHADLO Cc1ccc(C[NH2+]Cc2ncc(Br)cc2Cl)nc1C ZINC000631158054 1018267073 /nfs/dbraw/zinc/26/70/73/1018267073.db2.gz YHMUHURAFSPRFU-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4cc(F)ccc4[C@H]3C)ccc2[nH+]1 ZINC000606570070 1032753835 /nfs/dbraw/zinc/75/38/35/1032753835.db2.gz QEQPEWIKACZXIZ-CYBMUJFWSA-N 1 2 338.386 3.933 20 0 EHADLO C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000275727751 1018366113 /nfs/dbraw/zinc/36/61/13/1018366113.db2.gz VFZOWGRUNCGBSL-OCCSQVGLSA-N 1 2 343.402 3.591 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1cc(F)ccc1SC ZINC000893082912 1018394856 /nfs/dbraw/zinc/39/48/56/1018394856.db2.gz GNNTWGXXTXQPBL-UHFFFAOYSA-N 1 2 325.430 3.686 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000377817373 1018417339 /nfs/dbraw/zinc/41/73/39/1018417339.db2.gz SDKNLVCVKGEXQQ-MRXNPFEDSA-N 1 2 342.349 3.982 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccsc1 ZINC000275750638 1018496487 /nfs/dbraw/zinc/49/64/87/1018496487.db2.gz SMZHIUHIMVATEQ-DLBZAZTESA-N 1 2 344.459 3.592 20 0 EHADLO CC(C)c1ncsc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000455855031 1032768657 /nfs/dbraw/zinc/76/86/57/1032768657.db2.gz YOKMLKOVAAQNLK-UHFFFAOYSA-N 1 2 333.461 3.675 20 0 EHADLO CCc1nc(N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc(C)[nH+]1 ZINC000580057121 1018576139 /nfs/dbraw/zinc/57/61/39/1018576139.db2.gz WSBAHPYAVDQAPT-CZUORRHYSA-N 1 2 331.847 3.967 20 0 EHADLO Cc1cc(F)ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000123969686 1018597293 /nfs/dbraw/zinc/59/72/93/1018597293.db2.gz DANQZZIIHRSRON-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000027558555 1018601715 /nfs/dbraw/zinc/60/17/15/1018601715.db2.gz UYPLRGOHOTWSLS-LBPRGKRZSA-N 1 2 333.407 3.743 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000027558555 1018601720 /nfs/dbraw/zinc/60/17/20/1018601720.db2.gz UYPLRGOHOTWSLS-LBPRGKRZSA-N 1 2 333.407 3.743 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC000580092925 1018631587 /nfs/dbraw/zinc/63/15/87/1018631587.db2.gz UVVZYKWWXIMVDM-MRXNPFEDSA-N 1 2 325.456 3.525 20 0 EHADLO Cc1cccc(C2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCCC2)c1 ZINC000580092925 1018631593 /nfs/dbraw/zinc/63/15/93/1018631593.db2.gz UVVZYKWWXIMVDM-MRXNPFEDSA-N 1 2 325.456 3.525 20 0 EHADLO Fc1ccc(Oc2ccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)cc2)cc1 ZINC000580155441 1018716941 /nfs/dbraw/zinc/71/69/41/1018716941.db2.gz OSESEXNLHNNAPH-UHFFFAOYSA-N 1 2 338.386 3.903 20 0 EHADLO O=c1cccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)[nH]1 ZINC001207064690 1018739367 /nfs/dbraw/zinc/73/93/67/1018739367.db2.gz AGEDMBLKEIPOCD-HNNXBMFYSA-N 1 2 333.229 3.887 20 0 EHADLO O=c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)[nH]1 ZINC001207064690 1018739379 /nfs/dbraw/zinc/73/93/79/1018739379.db2.gz AGEDMBLKEIPOCD-HNNXBMFYSA-N 1 2 333.229 3.887 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580214611 1018804125 /nfs/dbraw/zinc/80/41/25/1018804125.db2.gz AIERVZJULKSYAV-AAEUAGOBSA-N 1 2 334.489 3.696 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580214611 1018804152 /nfs/dbraw/zinc/80/41/52/1018804152.db2.gz AIERVZJULKSYAV-AAEUAGOBSA-N 1 2 334.489 3.696 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1cc(C)ccc1C)C1CC1 ZINC000052183638 1018858357 /nfs/dbraw/zinc/85/83/57/1018858357.db2.gz PZPILYWGMVIDNF-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1cc(C)ccc1C)C1CC1 ZINC000052183638 1018858380 /nfs/dbraw/zinc/85/83/80/1018858380.db2.gz PZPILYWGMVIDNF-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000047798098 1018989949 /nfs/dbraw/zinc/98/99/49/1018989949.db2.gz VWZJDWRNOCVWKA-WDEREUQCSA-N 1 2 341.242 3.639 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1F ZINC000152650826 1019001370 /nfs/dbraw/zinc/00/13/70/1019001370.db2.gz WRBXNFCTIRRHNS-CYBMUJFWSA-N 1 2 342.443 3.979 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175938627 1019093321 /nfs/dbraw/zinc/09/33/21/1019093321.db2.gz FGMPEZCQLIOXTQ-LFIBNONCSA-N 1 2 349.409 3.790 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000449560950 1032808638 /nfs/dbraw/zinc/80/86/38/1032808638.db2.gz AENLVHPOOSIHCS-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Br)c(OC)s1 ZINC000449563897 1032809207 /nfs/dbraw/zinc/80/92/07/1032809207.db2.gz ZJXJKIBNVWEIHL-VIFPVBQESA-N 1 2 344.278 3.586 20 0 EHADLO Cc1nc(Nc2ccn3cc[nH+]c3c2)nc(Cl)c1Br ZINC001204950661 1019296765 /nfs/dbraw/zinc/29/67/65/1019296765.db2.gz DEKKNZFRVHKYFM-UHFFFAOYSA-N 1 2 338.596 3.592 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052909677 1019304504 /nfs/dbraw/zinc/30/45/04/1019304504.db2.gz KGVPGXFJJUUBQQ-UHFFFAOYSA-N 1 2 333.391 3.782 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000580411528 1019317135 /nfs/dbraw/zinc/31/71/35/1019317135.db2.gz KSLOOCMWMPKUQA-UHFFFAOYSA-N 1 2 340.471 3.507 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000614449508 1019321407 /nfs/dbraw/zinc/32/14/07/1019321407.db2.gz NQGJZHVAFJVOIS-KURKYZTESA-N 1 2 337.467 3.744 20 0 EHADLO C(=C/C1CCCC1)\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000580444753 1019374100 /nfs/dbraw/zinc/37/41/00/1019374100.db2.gz UNTXDGCZBUKZMA-MDZDMXLPSA-N 1 2 339.439 3.772 20 0 EHADLO CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606752469 1032831506 /nfs/dbraw/zinc/83/15/06/1032831506.db2.gz OUHRHTNMKBTTLS-ZDUSSCGKSA-N 1 2 329.425 3.649 20 0 EHADLO Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(F)c1Cl ZINC000683959085 1019479767 /nfs/dbraw/zinc/47/97/67/1019479767.db2.gz MLIDIKDBFVZPHZ-UHFFFAOYSA-N 1 2 332.806 3.533 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000891290095 1019495276 /nfs/dbraw/zinc/49/52/76/1019495276.db2.gz NKGYKNKZIXQJKW-QGZVFWFLSA-N 1 2 325.456 3.857 20 0 EHADLO CCCOc1c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cccc1OCC ZINC000449575043 1032835440 /nfs/dbraw/zinc/83/54/40/1032835440.db2.gz WTPIJBPPKYSOJO-GDBMZVCRSA-N 1 2 329.444 3.866 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000580520008 1019540155 /nfs/dbraw/zinc/54/01/55/1019540155.db2.gz IEKSXXHICYGOJE-MRXNPFEDSA-N 1 2 349.471 3.909 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000580520008 1019540170 /nfs/dbraw/zinc/54/01/70/1019540170.db2.gz IEKSXXHICYGOJE-MRXNPFEDSA-N 1 2 349.471 3.909 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCc2sccc21 ZINC000433761847 1019591212 /nfs/dbraw/zinc/59/12/12/1019591212.db2.gz HBOQCXSDCVMDNO-QGZVFWFLSA-N 1 2 337.448 3.670 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000433765200 1019592529 /nfs/dbraw/zinc/59/25/29/1019592529.db2.gz GXFCJDAMHWSCTJ-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528802317 1032845052 /nfs/dbraw/zinc/84/50/52/1032845052.db2.gz NCAYPSUJSODQRW-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528802317 1032845073 /nfs/dbraw/zinc/84/50/73/1032845073.db2.gz NCAYPSUJSODQRW-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO COc1ccc(C[NH+]2CC3(CC3(F)F)C2)c(OCc2cccnc2)c1 ZINC000656265485 1019792432 /nfs/dbraw/zinc/79/24/32/1019792432.db2.gz PQENPBFUSZSRHI-UHFFFAOYSA-N 1 2 346.377 3.510 20 0 EHADLO COc1ccc(C2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC2)cc1 ZINC000580655470 1019800967 /nfs/dbraw/zinc/80/09/67/1019800967.db2.gz ANALDFDXZHRDRE-UHFFFAOYSA-N 1 2 349.434 3.671 20 0 EHADLO CCCC1CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000471607284 1019821691 /nfs/dbraw/zinc/82/16/91/1019821691.db2.gz TZRGYVYOZIHBOZ-UHFFFAOYSA-N 1 2 328.460 3.832 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000513606492 1019851717 /nfs/dbraw/zinc/85/17/17/1019851717.db2.gz OWOAPRAPEKYXFA-DLBZAZTESA-N 1 2 327.472 3.638 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2c3c(ccc2Cl)OCC3)c[nH+]1 ZINC000565758548 1019876884 /nfs/dbraw/zinc/87/68/84/1019876884.db2.gz ABIUYUUKHVYOOI-UHFFFAOYSA-N 1 2 331.803 3.608 20 0 EHADLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCSCC1 ZINC000047994202 1019899537 /nfs/dbraw/zinc/89/95/37/1019899537.db2.gz NNDYNTNGXBYDKN-SNVBAGLBSA-N 1 2 343.374 3.865 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001207133499 1019903468 /nfs/dbraw/zinc/90/34/68/1019903468.db2.gz PQEJRYAZCORANV-UHFFFAOYSA-N 1 2 341.789 3.545 20 0 EHADLO CCc1cccc2c1OCC[C@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000513651903 1019908248 /nfs/dbraw/zinc/90/82/48/1019908248.db2.gz GDKLIAXTIIHICB-QGZVFWFLSA-N 1 2 338.455 3.965 20 0 EHADLO CCc1cccc2c1OCC[C@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000513651903 1019908261 /nfs/dbraw/zinc/90/82/61/1019908261.db2.gz GDKLIAXTIIHICB-QGZVFWFLSA-N 1 2 338.455 3.965 20 0 EHADLO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000545849848 1019920284 /nfs/dbraw/zinc/92/02/84/1019920284.db2.gz JWHRJTVWDPGSHD-ZDUSSCGKSA-N 1 2 340.427 3.831 20 0 EHADLO CCC[C@H](C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000050449701 1019935241 /nfs/dbraw/zinc/93/52/41/1019935241.db2.gz YXOWKLYXTLLFQR-KRWDZBQOSA-N 1 2 326.440 3.907 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345113870 1019957686 /nfs/dbraw/zinc/95/76/86/1019957686.db2.gz NFGWABMOXQGANT-UHFFFAOYSA-N 1 2 335.411 3.816 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000123122398 1019962201 /nfs/dbraw/zinc/96/22/01/1019962201.db2.gz NWIDOGVXWROIFV-FOIQADDNSA-N 1 2 348.450 3.771 20 0 EHADLO CCO[C@H]1C[C@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000580753413 1019979799 /nfs/dbraw/zinc/97/97/99/1019979799.db2.gz OLGLNOBEVMWAFP-CABCVRRESA-N 1 2 338.860 3.643 20 0 EHADLO CC(C)(CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)F ZINC000280022724 1019988244 /nfs/dbraw/zinc/98/82/44/1019988244.db2.gz KDDCTWNFVWZAFC-UHFFFAOYSA-N 1 2 343.324 3.606 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(Br)cn3)cn2c1 ZINC000280018577 1020012722 /nfs/dbraw/zinc/01/27/22/1020012722.db2.gz HFXDWCVJGIMAOV-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO O=C(/C=C\c1cncc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000255777171 1020024216 /nfs/dbraw/zinc/02/42/16/1020024216.db2.gz SHLMXNICSRSEIA-RJRFIUFISA-N 1 2 342.761 3.712 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043804 1020040232 /nfs/dbraw/zinc/04/02/32/1020040232.db2.gz GEYOVXCDHYDOIG-GUYCJALGSA-N 1 2 344.480 3.745 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043804 1020040241 /nfs/dbraw/zinc/04/02/41/1020040241.db2.gz GEYOVXCDHYDOIG-GUYCJALGSA-N 1 2 344.480 3.745 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1Cl ZINC000684064463 1020043937 /nfs/dbraw/zinc/04/39/37/1020043937.db2.gz LGHLJMHPFNXERI-UHFFFAOYSA-N 1 2 349.887 3.664 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1Cl ZINC000684064463 1020043949 /nfs/dbraw/zinc/04/39/49/1020043949.db2.gz LGHLJMHPFNXERI-UHFFFAOYSA-N 1 2 349.887 3.664 20 0 EHADLO CCc1ncc(C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)o1 ZINC000449608485 1032874680 /nfs/dbraw/zinc/87/46/80/1032874680.db2.gz HZVAGCRBXQLZPO-UHFFFAOYSA-N 1 2 340.379 3.573 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280196716 1020160935 /nfs/dbraw/zinc/16/09/35/1020160935.db2.gz IQCVJBRSIFTNIM-UHFFFAOYSA-N 1 2 341.904 3.642 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280196716 1020160948 /nfs/dbraw/zinc/16/09/48/1020160948.db2.gz IQCVJBRSIFTNIM-UHFFFAOYSA-N 1 2 341.904 3.642 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cnc(CCc3ccccc3)s2)cn1 ZINC000580873728 1020170806 /nfs/dbraw/zinc/17/08/06/1020170806.db2.gz FAQHSWQDEFZUFV-UHFFFAOYSA-N 1 2 340.496 3.777 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cnc(CCc3ccccc3)s2)cn1 ZINC000580873728 1020170810 /nfs/dbraw/zinc/17/08/10/1020170810.db2.gz FAQHSWQDEFZUFV-UHFFFAOYSA-N 1 2 340.496 3.777 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncccc2F)c(Cl)c1 ZINC000528832311 1032882190 /nfs/dbraw/zinc/88/21/90/1032882190.db2.gz VJJREDFIURMTRM-NWDGAFQWSA-N 1 2 335.810 3.860 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC[C@@H]1CCO1 ZINC000602453617 1032882241 /nfs/dbraw/zinc/88/22/41/1032882241.db2.gz IKYZDPGUDFOTAJ-IUODEOHRSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[C@@H]1CCO1 ZINC000602453617 1032882256 /nfs/dbraw/zinc/88/22/56/1032882256.db2.gz IKYZDPGUDFOTAJ-IUODEOHRSA-N 1 2 346.254 3.708 20 0 EHADLO O=C(CCCc1cccs1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000336975287 1020218772 /nfs/dbraw/zinc/21/87/72/1020218772.db2.gz OAFHAHLTOUYVAO-UHFFFAOYSA-N 1 2 344.480 3.542 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834676749 1020243378 /nfs/dbraw/zinc/24/33/78/1020243378.db2.gz ZGPFUKUGDQKZSJ-IUCAKERBSA-N 1 2 347.303 3.660 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345439605 1020254390 /nfs/dbraw/zinc/25/43/90/1020254390.db2.gz BJISHMLTTMHSEN-HZPDHXFCSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000345449076 1020263772 /nfs/dbraw/zinc/26/37/72/1020263772.db2.gz OBKUULYRUMVPFG-HNNXBMFYSA-N 1 2 331.504 3.998 20 0 EHADLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000345483805 1020291170 /nfs/dbraw/zinc/29/11/70/1020291170.db2.gz MCOBREDPAIEIQL-CXAGYDPISA-N 1 2 330.815 3.518 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897148 1032891070 /nfs/dbraw/zinc/89/10/70/1032891070.db2.gz HOGSJSJEWMEPAK-UHFFFAOYSA-N 1 2 329.827 3.980 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897148 1032891091 /nfs/dbraw/zinc/89/10/91/1032891091.db2.gz HOGSJSJEWMEPAK-UHFFFAOYSA-N 1 2 329.827 3.980 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCOCc2ccccc2)o1 ZINC000581038694 1020373865 /nfs/dbraw/zinc/37/38/65/1020373865.db2.gz UBAILLGTUJQQAK-IBGZPJMESA-N 1 2 329.440 3.822 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCOCc2ccccc2)o1 ZINC000581038694 1020373878 /nfs/dbraw/zinc/37/38/78/1020373878.db2.gz UBAILLGTUJQQAK-IBGZPJMESA-N 1 2 329.440 3.822 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c2ccccn21 ZINC000581074206 1020402518 /nfs/dbraw/zinc/40/25/18/1020402518.db2.gz KMTCPUORGUXWKN-INIZCTEOSA-N 1 2 336.439 3.506 20 0 EHADLO CC(C)c1nc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c2ccccn21 ZINC000581074206 1020402525 /nfs/dbraw/zinc/40/25/25/1020402525.db2.gz KMTCPUORGUXWKN-INIZCTEOSA-N 1 2 336.439 3.506 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3ncccc3F)C2=O)c(C)c1 ZINC000528825578 1032898733 /nfs/dbraw/zinc/89/87/33/1032898733.db2.gz SKPDKSDIFBXUAI-RDJZCZTQSA-N 1 2 341.430 3.602 20 0 EHADLO Clc1ccc(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000345650364 1020425840 /nfs/dbraw/zinc/42/58/40/1020425840.db2.gz OPUJSJFFJUECMR-UHFFFAOYSA-N 1 2 337.770 3.562 20 0 EHADLO Cc1ccc([C@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)cc1 ZINC000280591851 1020499595 /nfs/dbraw/zinc/49/95/95/1020499595.db2.gz WYYLCWACNIFSTP-NRFANRHFSA-N 1 2 345.450 3.982 20 0 EHADLO Cc1ccc([C@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)cc1 ZINC000280591851 1020499604 /nfs/dbraw/zinc/49/96/04/1020499604.db2.gz WYYLCWACNIFSTP-NRFANRHFSA-N 1 2 345.450 3.982 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000280628518 1020520643 /nfs/dbraw/zinc/52/06/43/1020520643.db2.gz XCICKCDVRQKEEG-LBPRGKRZSA-N 1 2 335.835 3.810 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC000340876879 1020527279 /nfs/dbraw/zinc/52/72/79/1020527279.db2.gz BPLGUFARXBTJPM-QGZVFWFLSA-N 1 2 343.492 3.606 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC000340876879 1020527285 /nfs/dbraw/zinc/52/72/85/1020527285.db2.gz BPLGUFARXBTJPM-QGZVFWFLSA-N 1 2 343.492 3.606 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(Cl)ccc1F ZINC000066963038 1020589761 /nfs/dbraw/zinc/58/97/61/1020589761.db2.gz SZMSLWFWAPBXFR-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2cncs2)nc[nH+]1 ZINC000340919960 1020614814 /nfs/dbraw/zinc/61/48/14/1020614814.db2.gz LHXLQLUQAQWOPA-GDZNZVCISA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1 ZINC000340919960 1020614818 /nfs/dbraw/zinc/61/48/18/1020614818.db2.gz LHXLQLUQAQWOPA-GDZNZVCISA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000656456537 1020614866 /nfs/dbraw/zinc/61/48/66/1020614866.db2.gz WGHRJPJIWKBBBH-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000656456537 1020614871 /nfs/dbraw/zinc/61/48/71/1020614871.db2.gz WGHRJPJIWKBBBH-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO COc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000345949091 1020632678 /nfs/dbraw/zinc/63/26/78/1020632678.db2.gz BGZKSEGXQQBMSN-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419486869 1020687555 /nfs/dbraw/zinc/68/75/55/1020687555.db2.gz FXYXQJYDEIWVHP-HZPDHXFCSA-N 1 2 328.460 3.691 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+][C@@H]3CCSC3)c3ccccc3)n2)cc1 ZINC000581345250 1020718180 /nfs/dbraw/zinc/71/81/80/1020718180.db2.gz HFWUUZSATRJFPN-IAGOWNOFSA-N 1 2 337.448 3.921 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)cc2[nH+]1 ZINC000340976929 1020734863 /nfs/dbraw/zinc/73/48/63/1020734863.db2.gz SDOFFPUWCJICEM-BZNIZROVSA-N 1 2 348.406 3.718 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000606971232 1032929497 /nfs/dbraw/zinc/92/94/97/1032929497.db2.gz ACRVUZJDFOVMIA-QGZVFWFLSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C3CCCCC3)cn2c1 ZINC000042467224 1020775748 /nfs/dbraw/zinc/77/57/48/1020775748.db2.gz WVHZXAOVJITSSO-UHFFFAOYSA-N 1 2 331.485 3.667 20 0 EHADLO CC[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000606946680 1032934087 /nfs/dbraw/zinc/93/40/87/1032934087.db2.gz XSXNHWKHCFQWIX-KRWDZBQOSA-N 1 2 344.459 3.908 20 0 EHADLO Cn1cccc1C[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000760403077 1032935648 /nfs/dbraw/zinc/93/56/48/1032935648.db2.gz VXHYEYMLOYJKBK-UHFFFAOYSA-N 1 2 326.469 3.651 20 0 EHADLO Cn1cccc1C[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000760403077 1032935660 /nfs/dbraw/zinc/93/56/60/1032935660.db2.gz VXHYEYMLOYJKBK-UHFFFAOYSA-N 1 2 326.469 3.651 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000341036695 1020895699 /nfs/dbraw/zinc/89/56/99/1020895699.db2.gz QJXDSVYBPGJQRA-JKSUJKDBSA-N 1 2 326.444 3.592 20 0 EHADLO c1ccc([C@H]2CC[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)O2)cc1 ZINC000341041228 1020897711 /nfs/dbraw/zinc/89/77/11/1020897711.db2.gz JMTRHBFLBQGRKC-QZTJIDSGSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@H]2CC[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)O2)cc1 ZINC000341041228 1020897718 /nfs/dbraw/zinc/89/77/18/1020897718.db2.gz JMTRHBFLBQGRKC-QZTJIDSGSA-N 1 2 338.455 3.799 20 0 EHADLO COC[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000341117377 1020980414 /nfs/dbraw/zinc/98/04/14/1020980414.db2.gz KETHFBDYBLUDHM-HNNXBMFYSA-N 1 2 332.835 3.752 20 0 EHADLO COC[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000341117377 1020980419 /nfs/dbraw/zinc/98/04/19/1020980419.db2.gz KETHFBDYBLUDHM-HNNXBMFYSA-N 1 2 332.835 3.752 20 0 EHADLO Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000276288754 1020998646 /nfs/dbraw/zinc/99/86/46/1020998646.db2.gz SRWAQGCMIFESQW-NZSAHSFTSA-N 1 2 336.414 3.959 20 0 EHADLO C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000341161483 1021032954 /nfs/dbraw/zinc/03/29/54/1021032954.db2.gz WKZHAXGOCDOFIX-HNNXBMFYSA-N 1 2 326.444 3.640 20 0 EHADLO FC[C@H]1CCCN1c1cc(N2CCC[C@@H]2CF)c2ccncc2[nH+]1 ZINC000292683521 1021072079 /nfs/dbraw/zinc/07/20/79/1021072079.db2.gz DWYGSYRDWGNZSV-ZIAGYGMSSA-N 1 2 332.398 3.506 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)c1 ZINC001167473212 1021138310 /nfs/dbraw/zinc/13/83/10/1021138310.db2.gz GHGZMYSPJDZUMK-CYBMUJFWSA-N 1 2 343.398 3.740 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3cccc(F)c3[C@H]2C)c1 ZINC001167473212 1021138313 /nfs/dbraw/zinc/13/83/13/1021138313.db2.gz GHGZMYSPJDZUMK-CYBMUJFWSA-N 1 2 343.398 3.740 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000449648877 1032956748 /nfs/dbraw/zinc/95/67/48/1032956748.db2.gz UVKUTBQPOWXPIR-KBPBESRZSA-N 1 2 343.496 3.552 20 0 EHADLO CC[C@@H](OC1CCCC1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341239350 1021151371 /nfs/dbraw/zinc/15/13/71/1021151371.db2.gz LBBJIQYYXJFESX-LJQANCHMSA-N 1 2 347.503 3.640 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000656682194 1021163644 /nfs/dbraw/zinc/16/36/44/1021163644.db2.gz QVIBUXGGCNCNON-GUDVDZBRSA-N 1 2 349.434 3.983 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000518406684 1021164156 /nfs/dbraw/zinc/16/41/56/1021164156.db2.gz UOVSTOIXFVBYHA-SFHVURJKSA-N 1 2 344.418 3.502 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244887 1021169835 /nfs/dbraw/zinc/16/98/35/1021169835.db2.gz XJACEHPONJVMHW-SFHVURJKSA-N 1 2 329.488 3.872 20 0 EHADLO COCCC1(C)C[NH+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000894838551 1021220372 /nfs/dbraw/zinc/22/03/72/1021220372.db2.gz BUIJSPJPRFTDEX-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NCCCCn1cc[nH+]c1 ZINC000516267315 1021251614 /nfs/dbraw/zinc/25/16/14/1021251614.db2.gz ZJJRUICYNKHJNN-UHFFFAOYSA-N 1 2 331.803 3.801 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000516297956 1021267798 /nfs/dbraw/zinc/26/77/98/1021267798.db2.gz UTXHZOJYQXLDOC-DNVCBOLYSA-N 1 2 329.419 3.597 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 ZINC000032499494 1021274827 /nfs/dbraw/zinc/27/48/27/1021274827.db2.gz OENWGYOZKZLNAB-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO CCOc1ccc(OC(C)(C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000581653305 1021279304 /nfs/dbraw/zinc/27/93/04/1021279304.db2.gz XSSMHJMVFSDPLF-UHFFFAOYSA-N 1 2 339.395 3.529 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cc4n(n3)CCCC4)[nH+]c2)c1 ZINC000656781195 1021319796 /nfs/dbraw/zinc/31/97/96/1021319796.db2.gz YKTZIEJBMVPNCS-UHFFFAOYSA-N 1 2 349.438 3.979 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000505896843 1021326874 /nfs/dbraw/zinc/32/68/74/1021326874.db2.gz WJXZTBABJSILSW-MRXNPFEDSA-N 1 2 329.444 3.559 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000505896843 1021326893 /nfs/dbraw/zinc/32/68/93/1021326893.db2.gz WJXZTBABJSILSW-MRXNPFEDSA-N 1 2 329.444 3.559 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(Br)s2)[nH+]1 ZINC000436902495 1021346914 /nfs/dbraw/zinc/34/69/14/1021346914.db2.gz QCXGBDGIYWKMKL-ZETCQYMHSA-N 1 2 337.246 3.685 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000505895802 1021347452 /nfs/dbraw/zinc/34/74/52/1021347452.db2.gz ZMVALAPTIXXCRC-FVVUREQNSA-N 1 2 341.499 3.629 20 0 EHADLO CCc1ncc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000505897723 1021351103 /nfs/dbraw/zinc/35/11/03/1021351103.db2.gz IIWSPYKRKFECTM-TWGQIWQCSA-N 1 2 327.497 3.537 20 0 EHADLO CCc1ncc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)s1 ZINC000505897723 1021351122 /nfs/dbraw/zinc/35/11/22/1021351122.db2.gz IIWSPYKRKFECTM-TWGQIWQCSA-N 1 2 327.497 3.537 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872837 1021370049 /nfs/dbraw/zinc/37/00/49/1021370049.db2.gz XGETVQMSSPZFTH-LLVKDONJSA-N 1 2 343.456 3.667 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872837 1021370068 /nfs/dbraw/zinc/37/00/68/1021370068.db2.gz XGETVQMSSPZFTH-LLVKDONJSA-N 1 2 343.456 3.667 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1cccs1)Cc1cccs1 ZINC000188884155 1021382308 /nfs/dbraw/zinc/38/23/08/1021382308.db2.gz CMXJUHBFILELAT-UHFFFAOYSA-N 1 2 331.466 3.694 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000188884155 1021382325 /nfs/dbraw/zinc/38/23/25/1021382325.db2.gz CMXJUHBFILELAT-UHFFFAOYSA-N 1 2 331.466 3.694 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000341300528 1021389047 /nfs/dbraw/zinc/38/90/47/1021389047.db2.gz DNXPKNUGHMMLDW-CQSZACIVSA-N 1 2 327.453 3.684 20 0 EHADLO COc1cccc2cc(C[NH2+][C@H](C)c3cn(-c4ccccc4)nn3)oc21 ZINC000760469839 1032976683 /nfs/dbraw/zinc/97/66/83/1032976683.db2.gz GTFMKQQGXIVZNQ-CQSZACIVSA-N 1 2 348.406 3.873 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341321541 1021422068 /nfs/dbraw/zinc/42/20/68/1021422068.db2.gz XYCGXUIXUZKJBN-UHFFFAOYSA-N 1 2 337.467 3.704 20 0 EHADLO c1c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)[nH]nc1-c1ccccc1 ZINC000507670464 1021427008 /nfs/dbraw/zinc/42/70/08/1021427008.db2.gz VIWOXHVTVCGSAT-HXUWFJFHSA-N 1 2 333.435 3.520 20 0 EHADLO c1c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)[nH]nc1-c1ccccc1 ZINC000507670464 1021427024 /nfs/dbraw/zinc/42/70/24/1021427024.db2.gz VIWOXHVTVCGSAT-HXUWFJFHSA-N 1 2 333.435 3.520 20 0 EHADLO CCC[C@H]([NH2+]Cc1cc(C(=O)OCC)no1)c1ccc(F)cc1F ZINC000602569460 1032978456 /nfs/dbraw/zinc/97/84/56/1032978456.db2.gz RATGCMBZPYQUJP-HNNXBMFYSA-N 1 2 338.354 3.761 20 0 EHADLO CSC[C@H](C)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425672219 1021442267 /nfs/dbraw/zinc/44/22/67/1021442267.db2.gz JUGNMNCRYSBFIZ-ZDUSSCGKSA-N 1 2 344.484 3.759 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](c3ccccc3)c3cccnc3)cn2c1 ZINC000341346916 1021482512 /nfs/dbraw/zinc/48/25/12/1021482512.db2.gz GRRVYUOQYAVYKY-OAQYLSRUSA-N 1 2 328.419 3.917 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449654136 1032983104 /nfs/dbraw/zinc/98/31/04/1032983104.db2.gz DODLCUDKHDNAFA-HZPDHXFCSA-N 1 2 330.463 3.734 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000607094143 1032985048 /nfs/dbraw/zinc/98/50/48/1032985048.db2.gz ONDJPEKXKPSSGA-ROUUACIJSA-N 1 2 347.503 3.640 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000518774243 1021532229 /nfs/dbraw/zinc/53/22/29/1021532229.db2.gz XZPLMTMCDWMFNV-UXHICEINSA-N 1 2 337.467 3.764 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)cc2s1 ZINC000426423639 1021547245 /nfs/dbraw/zinc/54/72/45/1021547245.db2.gz ZMPSBPHPGZZFCU-SFHVURJKSA-N 1 2 340.448 3.884 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCO[C@H](c4cccc(O)c4)C3)cc2s1 ZINC000426423639 1021547252 /nfs/dbraw/zinc/54/72/52/1021547252.db2.gz ZMPSBPHPGZZFCU-SFHVURJKSA-N 1 2 340.448 3.884 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425719265 1021552551 /nfs/dbraw/zinc/55/25/51/1021552551.db2.gz QCOBAIHXRAKYFI-GFCCVEGCSA-N 1 2 348.834 3.621 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000729478546 1021563217 /nfs/dbraw/zinc/56/32/17/1021563217.db2.gz XAPBNQQBFMDDNX-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000729478546 1021563232 /nfs/dbraw/zinc/56/32/32/1021563232.db2.gz XAPBNQQBFMDDNX-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000440544296 1021588392 /nfs/dbraw/zinc/58/83/92/1021588392.db2.gz RBLHLXRSRDCUPS-UHFFFAOYSA-N 1 2 345.874 3.922 20 0 EHADLO CCOc1cccc2cc([C@@H](C)Nc3[nH+]cnc4c3cnn4C)oc21 ZINC000054865053 1032994956 /nfs/dbraw/zinc/99/49/56/1032994956.db2.gz NNRNXMLVPAVQNY-LLVKDONJSA-N 1 2 337.383 3.681 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000440565254 1021621409 /nfs/dbraw/zinc/62/14/09/1021621409.db2.gz MUOWUJLUYNVFNV-ARJAWSKDSA-N 1 2 331.419 3.900 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)Nc1ccn2cc[nH+]c2c1 ZINC000519727661 1021635890 /nfs/dbraw/zinc/63/58/90/1021635890.db2.gz RFUGERGSQMHKBO-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000505994884 1021655266 /nfs/dbraw/zinc/65/52/66/1021655266.db2.gz FNONYUVOSQFMGK-HNNXBMFYSA-N 1 2 342.487 3.804 20 0 EHADLO CN(CCOc1ccccc1Cl)c1cc(N2CCCCC2)nc[nH+]1 ZINC000518885312 1021662524 /nfs/dbraw/zinc/66/25/24/1021662524.db2.gz DXSHKPVXLDTKCW-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO CN(CCOc1ccccc1Cl)c1cc(N2CCCCC2)[nH+]cn1 ZINC000518885312 1021662528 /nfs/dbraw/zinc/66/25/28/1021662528.db2.gz DXSHKPVXLDTKCW-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000064998337 1021665852 /nfs/dbraw/zinc/66/58/52/1021665852.db2.gz QMTJJPYRTUHBNK-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO CSCc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000130106715 1021683670 /nfs/dbraw/zinc/68/36/70/1021683670.db2.gz CWEQMVSMJGFHQE-PBHICJAKSA-N 1 2 344.484 3.861 20 0 EHADLO FC(F)(F)c1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)[nH]n1 ZINC000440642943 1021685250 /nfs/dbraw/zinc/68/52/50/1021685250.db2.gz YWUJCGIAQYUEHI-MRXNPFEDSA-N 1 2 332.329 3.703 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc3ccccc3o2)cc(OC)c1OC ZINC000341410626 1021762686 /nfs/dbraw/zinc/76/26/86/1021762686.db2.gz VJPIVOPJCKROSM-GFCCVEGCSA-N 1 2 342.395 3.704 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(C)(C)C)c3ccccn3)[nH+]c12 ZINC000891500097 1021772300 /nfs/dbraw/zinc/77/23/00/1021772300.db2.gz ORIVTECCMSVVGM-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO CC[C@@H](F)C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000440787065 1021777274 /nfs/dbraw/zinc/77/72/74/1021777274.db2.gz UZUHLGNXTJOWHK-QGZVFWFLSA-N 1 2 344.430 3.922 20 0 EHADLO CC[C@@H](F)C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000440787065 1021777292 /nfs/dbraw/zinc/77/72/92/1021777292.db2.gz UZUHLGNXTJOWHK-QGZVFWFLSA-N 1 2 344.430 3.922 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(F)c1 ZINC000581814500 1021796104 /nfs/dbraw/zinc/79/61/04/1021796104.db2.gz ZRZQRIPQLUCKLE-HNNXBMFYSA-N 1 2 337.332 3.799 20 0 EHADLO CC(C)CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCCc2cccnc21 ZINC000516876533 1021807390 /nfs/dbraw/zinc/80/73/90/1021807390.db2.gz ACKYPSOQGSYSHR-MAUKXSAKSA-N 1 2 340.471 3.546 20 0 EHADLO CC(C)CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCCc2cccnc21 ZINC000516876533 1021807402 /nfs/dbraw/zinc/80/74/02/1021807402.db2.gz ACKYPSOQGSYSHR-MAUKXSAKSA-N 1 2 340.471 3.546 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469463818 1021807317 /nfs/dbraw/zinc/80/73/17/1021807317.db2.gz AIJZTDMKYWIDER-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469463818 1021807341 /nfs/dbraw/zinc/80/73/41/1021807341.db2.gz AIJZTDMKYWIDER-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC000476166901 1033010544 /nfs/dbraw/zinc/01/05/44/1033010544.db2.gz WKSUANXFYHNENJ-KLHDSHLOSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@H]3CCC[C@@H]3C1)CC2 ZINC000476166901 1033010551 /nfs/dbraw/zinc/01/05/51/1033010551.db2.gz WKSUANXFYHNENJ-KLHDSHLOSA-N 1 2 329.488 3.723 20 0 EHADLO Cc1cccn2cc(Cc3noc(C[C@H]4CCCC4(F)F)n3)[nH+]c12 ZINC000923877238 1021854690 /nfs/dbraw/zinc/85/46/90/1021854690.db2.gz MYNKTEDPJPGAMI-GFCCVEGCSA-N 1 2 332.354 3.594 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000440909908 1021877802 /nfs/dbraw/zinc/87/78/02/1021877802.db2.gz GWJSWFCGUKFWPJ-LJQANCHMSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000440909908 1021877809 /nfs/dbraw/zinc/87/78/09/1021877809.db2.gz GWJSWFCGUKFWPJ-LJQANCHMSA-N 1 2 338.382 3.572 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000897624929 1033014577 /nfs/dbraw/zinc/01/45/77/1033014577.db2.gz DSAZLYUIOFGRDN-OAHLLOKOSA-N 1 2 325.412 3.673 20 0 EHADLO CC[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000290060490 1021920642 /nfs/dbraw/zinc/92/06/42/1021920642.db2.gz SMVUFMMQUHNATL-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000290060490 1021920652 /nfs/dbraw/zinc/92/06/52/1021920652.db2.gz SMVUFMMQUHNATL-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441019854 1021933665 /nfs/dbraw/zinc/93/36/65/1021933665.db2.gz LSBLRHMMNVMBQA-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441019854 1021933672 /nfs/dbraw/zinc/93/36/72/1021933672.db2.gz LSBLRHMMNVMBQA-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO CCOc1cc(F)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(F)c1 ZINC001143580327 1021940256 /nfs/dbraw/zinc/94/02/56/1021940256.db2.gz FTFPZYCSTOOVHA-HNNXBMFYSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1cc(F)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c(F)c1 ZINC001143580327 1021940273 /nfs/dbraw/zinc/94/02/73/1021940273.db2.gz FTFPZYCSTOOVHA-HNNXBMFYSA-N 1 2 333.378 3.799 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(OCC(C)C)c2)no1 ZINC000517022284 1021953065 /nfs/dbraw/zinc/95/30/65/1021953065.db2.gz DRPRRUKEWPGCFC-UHFFFAOYSA-N 1 2 346.427 3.521 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccn(C)n1 ZINC000593723357 1033018166 /nfs/dbraw/zinc/01/81/66/1033018166.db2.gz MIVJJWVJFZSSSZ-OWQGQXMQSA-N 1 2 341.455 3.641 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc(F)c1)C2 ZINC000441082092 1021962348 /nfs/dbraw/zinc/96/23/48/1021962348.db2.gz YGUALANEBHJBHT-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc(F)c1)C2 ZINC000441082092 1021962358 /nfs/dbraw/zinc/96/23/58/1021962358.db2.gz YGUALANEBHJBHT-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)[nH]1 ZINC000519267923 1021965137 /nfs/dbraw/zinc/96/51/37/1021965137.db2.gz OFZGAHSHTMVIPW-YNEHKIRRSA-N 1 2 344.459 3.501 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000276602739 1021967006 /nfs/dbraw/zinc/96/70/06/1021967006.db2.gz OQKTXEGSBPUEFS-UHFFFAOYSA-N 1 2 343.446 3.506 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(CC(C)C)CC1 ZINC000441072544 1021967519 /nfs/dbraw/zinc/96/75/19/1021967519.db2.gz TUTWYDBHONADKH-UHFFFAOYSA-N 1 2 343.515 3.973 20 0 EHADLO CCC(CC)n1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)n1 ZINC000341507085 1022046367 /nfs/dbraw/zinc/04/63/67/1022046367.db2.gz PDTDCGSRJYNWHH-IBGZPJMESA-N 1 2 342.487 3.553 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)ccn1 ZINC000925023445 1022061945 /nfs/dbraw/zinc/06/19/45/1022061945.db2.gz MSYJVTKCBXCYDC-HOTGVXAUSA-N 1 2 345.491 3.918 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(CC(F)(F)F)no2)c(C)c1 ZINC000441213005 1022070470 /nfs/dbraw/zinc/07/04/70/1022070470.db2.gz XYGVHIAIOJXKOU-GFCCVEGCSA-N 1 2 327.350 3.984 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(CC(F)(F)F)no2)c(C)c1 ZINC000441213005 1022070485 /nfs/dbraw/zinc/07/04/85/1022070485.db2.gz XYGVHIAIOJXKOU-GFCCVEGCSA-N 1 2 327.350 3.984 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)ccc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000578229862 1022143401 /nfs/dbraw/zinc/14/34/01/1022143401.db2.gz PVMUGKCBLBPJTF-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)ccc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000578229862 1022143408 /nfs/dbraw/zinc/14/34/08/1022143408.db2.gz PVMUGKCBLBPJTF-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cs1 ZINC000437803383 1022155528 /nfs/dbraw/zinc/15/55/28/1022155528.db2.gz SRKWKLPIVCFKAS-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cs1 ZINC000437803383 1022155536 /nfs/dbraw/zinc/15/55/36/1022155536.db2.gz SRKWKLPIVCFKAS-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO COc1ccnc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000441336597 1022157647 /nfs/dbraw/zinc/15/76/47/1022157647.db2.gz PIVIQKYMAOYHND-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C2CC2)n1 ZINC000891636095 1022176086 /nfs/dbraw/zinc/17/60/86/1022176086.db2.gz WWUVPZDPTMNDOA-QGZVFWFLSA-N 1 2 331.847 3.524 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C2CC2)n1 ZINC000891636095 1022176096 /nfs/dbraw/zinc/17/60/96/1022176096.db2.gz WWUVPZDPTMNDOA-QGZVFWFLSA-N 1 2 331.847 3.524 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)c1ccc(F)cc1Cl ZINC000506140308 1022177460 /nfs/dbraw/zinc/17/74/60/1022177460.db2.gz ZXRVVHFWAYZPFL-UHFFFAOYSA-N 1 2 333.798 3.546 20 0 EHADLO O=C(c1sccc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637010 1033035442 /nfs/dbraw/zinc/03/54/42/1033035442.db2.gz CYMKUJUMUFBFJF-UHFFFAOYSA-N 1 2 349.459 3.773 20 0 EHADLO CC(C)[N@@H+](Cc1cccc2c1OCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891645182 1022201492 /nfs/dbraw/zinc/20/14/92/1022201492.db2.gz PKILRPKGIMALBL-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO CC(C)[N@H+](Cc1cccc2c1OCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891645182 1022201504 /nfs/dbraw/zinc/20/15/04/1022201504.db2.gz PKILRPKGIMALBL-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000548308776 1022210890 /nfs/dbraw/zinc/21/08/90/1022210890.db2.gz WVLCTEMCKUFENQ-ZDUSSCGKSA-N 1 2 341.480 3.844 20 0 EHADLO Cc1cccc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000119415559 1033036719 /nfs/dbraw/zinc/03/67/19/1033036719.db2.gz HSJUPYHZMSTGLK-AEFFLSMTSA-N 1 2 325.456 3.658 20 0 EHADLO CC[N@H+](Cc1nc(Br)c[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000891656513 1022236370 /nfs/dbraw/zinc/23/63/70/1022236370.db2.gz AKTXXJFADFKNHY-LLVKDONJSA-N 1 2 338.249 3.764 20 0 EHADLO CC[N@@H+](Cc1nc(Br)c[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000891656513 1022236373 /nfs/dbraw/zinc/23/63/73/1022236373.db2.gz AKTXXJFADFKNHY-LLVKDONJSA-N 1 2 338.249 3.764 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000607157831 1033042670 /nfs/dbraw/zinc/04/26/70/1033042670.db2.gz WYONTHRHAVJRII-HZPDHXFCSA-N 1 2 335.492 3.972 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000607157831 1033042680 /nfs/dbraw/zinc/04/26/80/1033042680.db2.gz WYONTHRHAVJRII-HZPDHXFCSA-N 1 2 335.492 3.972 20 0 EHADLO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000891675516 1022283013 /nfs/dbraw/zinc/28/30/13/1022283013.db2.gz VOLJNZYEIDUXNQ-UHFFFAOYSA-N 1 2 349.438 3.728 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449670767 1033043932 /nfs/dbraw/zinc/04/39/32/1033043932.db2.gz YIXCPVZLBPLSHB-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449670767 1033043943 /nfs/dbraw/zinc/04/39/43/1033043943.db2.gz YIXCPVZLBPLSHB-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO CCc1cnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)o1 ZINC000519536826 1022314837 /nfs/dbraw/zinc/31/48/37/1022314837.db2.gz CSBRYHGTAKBJIT-UHFFFAOYSA-N 1 2 331.485 3.952 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671167 1033046241 /nfs/dbraw/zinc/04/62/41/1033046241.db2.gz KDCMMYRYQSJMQG-JOYOIKCWSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671167 1033046253 /nfs/dbraw/zinc/04/62/53/1033046253.db2.gz KDCMMYRYQSJMQG-JOYOIKCWSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671168 1033046931 /nfs/dbraw/zinc/04/69/31/1033046931.db2.gz KDCMMYRYQSJMQG-SKDRFNHKSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671168 1033046935 /nfs/dbraw/zinc/04/69/35/1033046935.db2.gz KDCMMYRYQSJMQG-SKDRFNHKSA-N 1 2 348.415 3.617 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2F)CC12CCCCC2 ZINC000438094590 1022374721 /nfs/dbraw/zinc/37/47/21/1022374721.db2.gz FLWHXCASBHADGE-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2F)CC12CCCCC2 ZINC000438094590 1022374739 /nfs/dbraw/zinc/37/47/39/1022374739.db2.gz FLWHXCASBHADGE-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO Cc1cc(N2CC[C@@H](c3ccc4cccnc4n3)C2)nc(C2CCC2)[nH+]1 ZINC000895000344 1022377167 /nfs/dbraw/zinc/37/71/67/1022377167.db2.gz LGHRBQPADUDGLH-QGZVFWFLSA-N 1 2 345.450 3.990 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc3c(cccc3F)[nH]1)C2 ZINC000438113728 1022401230 /nfs/dbraw/zinc/40/12/30/1022401230.db2.gz GCZVMZIHCJQGRJ-UHFFFAOYSA-N 1 2 326.419 3.722 20 0 EHADLO COc1ccc([C@H]2COCCN2c2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC000895039239 1022413480 /nfs/dbraw/zinc/41/34/80/1022413480.db2.gz VSJUNTQWHGWCLO-GOSISDBHSA-N 1 2 339.439 3.639 20 0 EHADLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C12CCCC2 ZINC000438135902 1022413788 /nfs/dbraw/zinc/41/37/88/1022413788.db2.gz LISFWIIQCGFLMH-HZPDHXFCSA-N 1 2 342.443 3.502 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1)C1CCCC1 ZINC000664826729 1022469922 /nfs/dbraw/zinc/46/99/22/1022469922.db2.gz XTEHCVAXRLSYNO-IBGZPJMESA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1)C1CCCC1 ZINC000664826729 1022469928 /nfs/dbraw/zinc/46/99/28/1022469928.db2.gz XTEHCVAXRLSYNO-IBGZPJMESA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826990 1022490427 /nfs/dbraw/zinc/49/04/27/1022490427.db2.gz DOVIVXDKLRUSLF-LPHOPBHVSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826990 1022490431 /nfs/dbraw/zinc/49/04/31/1022490431.db2.gz DOVIVXDKLRUSLF-LPHOPBHVSA-N 1 2 341.499 3.860 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119457193 1033059225 /nfs/dbraw/zinc/05/92/25/1033059225.db2.gz YYOAOYAYMBHETR-MEDHRJKHSA-N 1 2 337.467 3.613 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639270 1022517401 /nfs/dbraw/zinc/51/74/01/1022517401.db2.gz HCHJVRWXTPPVFY-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639270 1022517407 /nfs/dbraw/zinc/51/74/07/1022517407.db2.gz HCHJVRWXTPPVFY-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(F)(F)CC1 ZINC000438300940 1022542637 /nfs/dbraw/zinc/54/26/37/1022542637.db2.gz FTFYVBAJLPBKCL-AWEZNQCLSA-N 1 2 331.790 3.592 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2C2CCCC2)c1C ZINC000051334133 1022549618 /nfs/dbraw/zinc/54/96/18/1022549618.db2.gz KOFFAWNKAWBVFO-QGZVFWFLSA-N 1 2 331.460 3.571 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1C ZINC000051335374 1022573109 /nfs/dbraw/zinc/57/31/09/1022573109.db2.gz ABTVQHMPMJQVPM-HNNXBMFYSA-N 1 2 327.428 3.610 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H]1c1ccncc1 ZINC000664832256 1022573734 /nfs/dbraw/zinc/57/37/34/1022573734.db2.gz DWQOPEGGXBOUHY-OAQYLSRUSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H]1c1ccncc1 ZINC000664832256 1022573753 /nfs/dbraw/zinc/57/37/53/1022573753.db2.gz DWQOPEGGXBOUHY-OAQYLSRUSA-N 1 2 349.478 3.656 20 0 EHADLO Clc1ccc(N2CC[NH+](Cc3nc4cccnc4s3)CC2)cc1 ZINC000341619630 1022588155 /nfs/dbraw/zinc/58/81/55/1022588155.db2.gz QWLWOCOLIHXADM-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000607249435 1033062637 /nfs/dbraw/zinc/06/26/37/1033062637.db2.gz AYCBFMREPMSYHS-CVEARBPZSA-N 1 2 333.476 3.817 20 0 EHADLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000891770072 1022610810 /nfs/dbraw/zinc/61/08/10/1022610810.db2.gz GQALVOARTGMMAS-IUCAKERBSA-N 1 2 331.256 3.851 20 0 EHADLO CC1=C(c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665003914 1022631889 /nfs/dbraw/zinc/63/18/89/1022631889.db2.gz NUHPKKOVDRXZKX-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO CC1=C(c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665003914 1022631898 /nfs/dbraw/zinc/63/18/98/1022631898.db2.gz NUHPKKOVDRXZKX-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000430747771 1022647601 /nfs/dbraw/zinc/64/76/01/1022647601.db2.gz ZBWOPKJKWQNAOK-BFYDXBDKSA-N 1 2 328.460 3.688 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000172996647 1033070298 /nfs/dbraw/zinc/07/02/98/1033070298.db2.gz PPWOIBMNMYXWJN-ZUQFGZKASA-N 1 2 341.455 3.526 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664836393 1022657500 /nfs/dbraw/zinc/65/75/00/1022657500.db2.gz JOQPRZSOCJWPBE-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664836393 1022657506 /nfs/dbraw/zinc/65/75/06/1022657506.db2.gz JOQPRZSOCJWPBE-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO CC[C@H](C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009239 1022690473 /nfs/dbraw/zinc/69/04/73/1022690473.db2.gz GUJWHQJANDNQEN-UXLLHSPISA-N 1 2 329.444 3.620 20 0 EHADLO CC[C@H](C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009239 1022690482 /nfs/dbraw/zinc/69/04/82/1022690482.db2.gz GUJWHQJANDNQEN-UXLLHSPISA-N 1 2 329.444 3.620 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167917767 1033073567 /nfs/dbraw/zinc/07/35/67/1033073567.db2.gz LMJIPPWHHKUVQQ-UONOGXRCSA-N 1 2 328.815 3.749 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167917767 1033073574 /nfs/dbraw/zinc/07/35/74/1033073574.db2.gz LMJIPPWHHKUVQQ-UONOGXRCSA-N 1 2 328.815 3.749 20 0 EHADLO CCCc1csc(C[NH2+]Cc2c(F)cccc2-n2cccn2)n1 ZINC000449691014 1033077652 /nfs/dbraw/zinc/07/76/52/1033077652.db2.gz SYDARPUMQRCEQS-UHFFFAOYSA-N 1 2 330.432 3.710 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc([C@@H]2CCOC2)c1 ZINC000341646970 1022779013 /nfs/dbraw/zinc/77/90/13/1022779013.db2.gz YIHIHFFDGQDTPU-QGZVFWFLSA-N 1 2 333.391 3.629 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001143575344 1022779152 /nfs/dbraw/zinc/77/91/52/1022779152.db2.gz UEPGBQNUZFFBIR-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001143575344 1022779164 /nfs/dbraw/zinc/77/91/64/1022779164.db2.gz UEPGBQNUZFFBIR-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ncc(CSC)s1)c1ccc(C)o1 ZINC000293325420 1022784533 /nfs/dbraw/zinc/78/45/33/1022784533.db2.gz RGYXFTVXPBKHLG-CYBMUJFWSA-N 1 2 326.487 3.775 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)nc1 ZINC000341652898 1022826982 /nfs/dbraw/zinc/82/69/82/1022826982.db2.gz CWACLNLQLNAISI-INIZCTEOSA-N 1 2 334.423 3.610 20 0 EHADLO CCCCCNC(=O)C1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000891815856 1022902554 /nfs/dbraw/zinc/90/25/54/1022902554.db2.gz HBJAGLLAESNNTL-UHFFFAOYSA-N 1 2 344.503 3.575 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(Oc2ccccn2)c1 ZINC000438667506 1022903426 /nfs/dbraw/zinc/90/34/26/1022903426.db2.gz UFFUQNFLCKBFFZ-UHFFFAOYSA-N 1 2 349.394 3.503 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)cc1C ZINC000189000307 1022933369 /nfs/dbraw/zinc/93/33/69/1022933369.db2.gz XSURBKCUSIUYOR-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)cc1C ZINC000189000307 1022933377 /nfs/dbraw/zinc/93/33/77/1022933377.db2.gz XSURBKCUSIUYOR-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO O=C(c1ccc2c(c1)CCC=C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000341672703 1022947335 /nfs/dbraw/zinc/94/73/35/1022947335.db2.gz DYWRASOGXVXSQB-UHFFFAOYSA-N 1 2 338.476 3.666 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(Br)cnn1C ZINC000426162602 1023020755 /nfs/dbraw/zinc/02/07/55/1023020755.db2.gz SIXZAYLYGWHCSB-CQSZACIVSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(Br)cnn1C ZINC000426162602 1023020764 /nfs/dbraw/zinc/02/07/64/1023020764.db2.gz SIXZAYLYGWHCSB-CQSZACIVSA-N 1 2 334.261 3.520 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1[nH+]cnc2c1cnn2C ZINC000509555670 1023034426 /nfs/dbraw/zinc/03/44/26/1023034426.db2.gz VLINRPKYTJGUED-VIFPVBQESA-N 1 2 348.237 3.794 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000426832864 1023081413 /nfs/dbraw/zinc/08/14/13/1023081413.db2.gz BAHFMXIRXYNMPU-GFCCVEGCSA-N 1 2 329.400 3.840 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000441472968 1023081634 /nfs/dbraw/zinc/08/16/34/1023081634.db2.gz JMWMEPQZUIXAPQ-ZGXWSNOMSA-N 1 2 337.467 3.794 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3nc4ccccc4n3C)CC2)c1 ZINC000506419813 1023095703 /nfs/dbraw/zinc/09/57/03/1023095703.db2.gz AEAFOYYRRNWMMF-UHFFFAOYSA-N 1 2 334.467 3.512 20 0 EHADLO CC1(C)Cc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc2O1 ZINC000346017040 1023099280 /nfs/dbraw/zinc/09/92/80/1023099280.db2.gz NIOGWNWAHKCWCW-UHFFFAOYSA-N 1 2 333.391 3.838 20 0 EHADLO CCC(CC)[C@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000536379000 1023111961 /nfs/dbraw/zinc/11/19/61/1023111961.db2.gz OCBARZJSISZLSE-INIZCTEOSA-N 1 2 327.472 3.662 20 0 EHADLO CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]c2ccccc2c(C)c1C(=O)[O-] ZINC000518192399 1023113058 /nfs/dbraw/zinc/11/30/58/1023113058.db2.gz HKVZIBMNLINFEY-CQSZACIVSA-N 1 2 343.471 3.586 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000440485682 1023126274 /nfs/dbraw/zinc/12/62/74/1023126274.db2.gz MWEWGASVAXPIKZ-MRXNPFEDSA-N 1 2 345.512 3.524 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507212462 1023191362 /nfs/dbraw/zinc/19/13/62/1023191362.db2.gz AXKUGTAPYSBWMD-BBRMVZONSA-N 1 2 329.444 3.674 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507212462 1023191367 /nfs/dbraw/zinc/19/13/67/1023191367.db2.gz AXKUGTAPYSBWMD-BBRMVZONSA-N 1 2 329.444 3.674 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143412281 1023209867 /nfs/dbraw/zinc/20/98/67/1023209867.db2.gz OSBXIDHCKQDMRG-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143412281 1023209873 /nfs/dbraw/zinc/20/98/73/1023209873.db2.gz OSBXIDHCKQDMRG-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nnc(C2CC2)n1C1CC1 ZINC000190508119 1023213905 /nfs/dbraw/zinc/21/39/05/1023213905.db2.gz HUKPQKPGLVUGSP-UHFFFAOYSA-N 1 2 335.455 3.994 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nnc(C2CC2)n1C1CC1 ZINC000190508119 1023213911 /nfs/dbraw/zinc/21/39/11/1023213911.db2.gz HUKPQKPGLVUGSP-UHFFFAOYSA-N 1 2 335.455 3.994 20 0 EHADLO Cc1ccn(-c2ccccc2CNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000132166949 1023240462 /nfs/dbraw/zinc/24/04/62/1023240462.db2.gz WTJINVHCGRVNJG-UHFFFAOYSA-N 1 2 348.454 3.573 20 0 EHADLO Cc1ccn(-c2ccccc2CNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000132166949 1023240466 /nfs/dbraw/zinc/24/04/66/1023240466.db2.gz WTJINVHCGRVNJG-UHFFFAOYSA-N 1 2 348.454 3.573 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000684555797 1023299683 /nfs/dbraw/zinc/29/96/83/1023299683.db2.gz XVOZGJFDSISEPJ-SFHVURJKSA-N 1 2 335.407 3.989 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568365 1033127680 /nfs/dbraw/zinc/12/76/80/1033127680.db2.gz VYORPNQTNALUSO-YYUOZPCZSA-N 1 2 346.427 3.897 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568365 1033127684 /nfs/dbraw/zinc/12/76/84/1033127684.db2.gz VYORPNQTNALUSO-YYUOZPCZSA-N 1 2 346.427 3.897 20 0 EHADLO CC(C)=CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276928766 1023400481 /nfs/dbraw/zinc/40/04/81/1023400481.db2.gz IHPKHNWALCENHG-INIZCTEOSA-N 1 2 331.460 3.558 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000471949628 1023403218 /nfs/dbraw/zinc/40/32/18/1023403218.db2.gz XFEMRPZUDUYONS-BBRMVZONSA-N 1 2 325.437 3.821 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(CC(F)F)c2)c(F)c1 ZINC000449735729 1033132625 /nfs/dbraw/zinc/13/26/25/1033132625.db2.gz URCDXPNTZPXHDG-HNNXBMFYSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(CC(F)F)c2)c(F)c1 ZINC000449735729 1033132636 /nfs/dbraw/zinc/13/26/36/1033132636.db2.gz URCDXPNTZPXHDG-HNNXBMFYSA-N 1 2 327.325 3.764 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458121884 1023592116 /nfs/dbraw/zinc/59/21/16/1023592116.db2.gz IBQSXIJOUXUNGC-UYAOXDASSA-N 1 2 349.478 3.980 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000684594951 1023612855 /nfs/dbraw/zinc/61/28/55/1023612855.db2.gz QRDUKAMURPCARF-UHFFFAOYSA-N 1 2 346.352 3.832 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000684594951 1023612861 /nfs/dbraw/zinc/61/28/61/1023612861.db2.gz QRDUKAMURPCARF-UHFFFAOYSA-N 1 2 346.352 3.832 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@H](CCCO)c3ccccc3)o2)cc1 ZINC000341898416 1023668197 /nfs/dbraw/zinc/66/81/97/1023668197.db2.gz TWWSRSJJMMJVFG-GOSISDBHSA-N 1 2 337.423 3.648 20 0 EHADLO CCC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nnc2ccccn21 ZINC000341910899 1023670887 /nfs/dbraw/zinc/67/08/87/1023670887.db2.gz MRBYUEWRIYCKKV-CQSZACIVSA-N 1 2 349.360 3.774 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342008476 1023765375 /nfs/dbraw/zinc/76/53/75/1023765375.db2.gz IQODMXAOGYNYAD-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000277120458 1023778914 /nfs/dbraw/zinc/77/89/14/1023778914.db2.gz HTBHNUJNWVIEFG-HNNXBMFYSA-N 1 2 329.465 3.518 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000277120458 1023778919 /nfs/dbraw/zinc/77/89/19/1023778919.db2.gz HTBHNUJNWVIEFG-HNNXBMFYSA-N 1 2 329.465 3.518 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c(F)c(F)ccc1OC)CCC2 ZINC001143419032 1023823291 /nfs/dbraw/zinc/82/32/91/1023823291.db2.gz ZSGHFOUHEHPPQN-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c(F)c(F)ccc1OC)CCC2 ZINC001143419032 1023823301 /nfs/dbraw/zinc/82/33/01/1023823301.db2.gz ZSGHFOUHEHPPQN-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(C)cc3Br)ccc2[nH+]1 ZINC000535853704 1023852766 /nfs/dbraw/zinc/85/27/66/1023852766.db2.gz DAJMOIUSZSXFHO-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884096 1023941663 /nfs/dbraw/zinc/94/16/63/1023941663.db2.gz AYNNJHLYEVJVSL-AEFFLSMTSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884096 1023941664 /nfs/dbraw/zinc/94/16/64/1023941664.db2.gz AYNNJHLYEVJVSL-AEFFLSMTSA-N 1 2 338.854 3.921 20 0 EHADLO FCC[C@H]1CCCN(c2cc(N3CCC[C@H](CCF)C3)[nH+]cn2)C1 ZINC000664414828 1023957735 /nfs/dbraw/zinc/95/77/35/1023957735.db2.gz VEUQBIQKVDCSIG-HZPDHXFCSA-N 1 2 338.446 3.629 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2c2nnc(C(C)C)[nH]2)c2c([nH+]1)CCCC2 ZINC000329650049 1023978457 /nfs/dbraw/zinc/97/84/57/1023978457.db2.gz CDJSXIPSOVXHCY-MRXNPFEDSA-N 1 2 340.475 3.637 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001141619004 1023993634 /nfs/dbraw/zinc/99/36/34/1023993634.db2.gz VWRRRQWYTJTZGX-LLVKDONJSA-N 1 2 336.229 3.596 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001141619004 1023993645 /nfs/dbraw/zinc/99/36/45/1023993645.db2.gz VWRRRQWYTJTZGX-LLVKDONJSA-N 1 2 336.229 3.596 20 0 EHADLO CCCOc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469852 1033178147 /nfs/dbraw/zinc/17/81/47/1033178147.db2.gz QODBNTWMAYLNEA-QGZVFWFLSA-N 1 2 344.459 3.908 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc(C)c1 ZINC000513961719 1024007815 /nfs/dbraw/zinc/00/78/15/1024007815.db2.gz JLUMEGRHSVVGFU-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc(C)c1 ZINC000513961719 1024007833 /nfs/dbraw/zinc/00/78/33/1024007833.db2.gz JLUMEGRHSVVGFU-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc(C)c1F ZINC000513996174 1024024241 /nfs/dbraw/zinc/02/42/41/1024024241.db2.gz FOVKZUWQDVMMGI-QGZVFWFLSA-N 1 2 346.833 3.883 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000046469597 1033175563 /nfs/dbraw/zinc/17/55/63/1033175563.db2.gz FAQWVQCBUAWKCI-QGZVFWFLSA-N 1 2 326.444 3.608 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000574463924 1033183096 /nfs/dbraw/zinc/18/30/96/1033183096.db2.gz VYSZBJDNHOFBIY-NXEZZACHSA-N 1 2 326.227 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000574463924 1033183106 /nfs/dbraw/zinc/18/31/06/1033183106.db2.gz VYSZBJDNHOFBIY-NXEZZACHSA-N 1 2 326.227 3.773 20 0 EHADLO CCc1ccccc1CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999877 1024042400 /nfs/dbraw/zinc/04/24/00/1024042400.db2.gz RACDPFYZPJZYTK-IBGZPJMESA-N 1 2 342.870 3.618 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)o1 ZINC000097658230 1024048137 /nfs/dbraw/zinc/04/81/37/1024048137.db2.gz SGCHTNXUYTXHCE-UHFFFAOYSA-N 1 2 333.457 3.837 20 0 EHADLO COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(Cl)c1OC ZINC000443849768 1024049768 /nfs/dbraw/zinc/04/97/68/1024049768.db2.gz DNUSMCGXBWJJCD-UHFFFAOYSA-N 1 2 327.852 3.747 20 0 EHADLO FC1(c2ccccc2)CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000434493027 1024081414 /nfs/dbraw/zinc/08/14/14/1024081414.db2.gz RLHIBNOPKWHKKK-UHFFFAOYSA-N 1 2 340.446 3.951 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OC(C)C ZINC000428312239 1024131705 /nfs/dbraw/zinc/13/17/05/1024131705.db2.gz DXDPTASBHMXCGR-ZDUSSCGKSA-N 1 2 332.448 3.575 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000514132690 1024159474 /nfs/dbraw/zinc/15/94/74/1024159474.db2.gz OGCXOPKNPMUNOH-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000514132690 1024159485 /nfs/dbraw/zinc/15/94/85/1024159485.db2.gz OGCXOPKNPMUNOH-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2CC[C@@H](CC(C)C)C2)nc1-c1ccccc1 ZINC000840018177 1024166464 /nfs/dbraw/zinc/16/64/64/1024166464.db2.gz KYAYTQAJWSMHIL-KRWDZBQOSA-N 1 2 339.483 3.798 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2CC[C@@H](CC(C)C)C2)nc1-c1ccccc1 ZINC000840018177 1024166468 /nfs/dbraw/zinc/16/64/68/1024166468.db2.gz KYAYTQAJWSMHIL-KRWDZBQOSA-N 1 2 339.483 3.798 20 0 EHADLO CCc1c(C(=O)C[N@H+](CC)CCc2ccccc2)[nH]c(C)c1C(C)=O ZINC000434575482 1024169635 /nfs/dbraw/zinc/16/96/35/1024169635.db2.gz LVDBPYCCKAXUEV-UHFFFAOYSA-N 1 2 340.467 3.835 20 0 EHADLO CCc1c(C(=O)C[N@@H+](CC)CCc2ccccc2)[nH]c(C)c1C(C)=O ZINC000434575482 1024169648 /nfs/dbraw/zinc/16/96/48/1024169648.db2.gz LVDBPYCCKAXUEV-UHFFFAOYSA-N 1 2 340.467 3.835 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000520591348 1024170731 /nfs/dbraw/zinc/17/07/31/1024170731.db2.gz ITMCVCBUZHMJPX-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1C[C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179556 1024206169 /nfs/dbraw/zinc/20/61/69/1024206169.db2.gz JJMWNTGNCVHWRW-KBPBESRZSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1C[C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179556 1024206184 /nfs/dbraw/zinc/20/61/84/1024206184.db2.gz JJMWNTGNCVHWRW-KBPBESRZSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H]1C1CCCC1 ZINC000056895958 1024271604 /nfs/dbraw/zinc/27/16/04/1024271604.db2.gz SMXKUTFXSXZWKR-IBGZPJMESA-N 1 2 338.455 3.737 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]1C1CCCC1 ZINC000056895957 1024271636 /nfs/dbraw/zinc/27/16/36/1024271636.db2.gz SMXKUTFXSXZWKR-LJQANCHMSA-N 1 2 338.455 3.737 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341390 1024274135 /nfs/dbraw/zinc/27/41/35/1024274135.db2.gz AWZUKZILLYVKOD-ZIAGYGMSSA-N 1 2 338.442 3.728 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341390 1024274147 /nfs/dbraw/zinc/27/41/47/1024274147.db2.gz AWZUKZILLYVKOD-ZIAGYGMSSA-N 1 2 338.442 3.728 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000342170344 1024290967 /nfs/dbraw/zinc/29/09/67/1024290967.db2.gz QHTDNTQYBOVBNH-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(C)cc1Cl ZINC000505475456 1024309670 /nfs/dbraw/zinc/30/96/70/1024309670.db2.gz BXTUTKNXXUEMLG-GOSISDBHSA-N 1 2 346.833 3.883 20 0 EHADLO COc1cc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc2c1OCO2 ZINC000101597127 1024346690 /nfs/dbraw/zinc/34/66/90/1024346690.db2.gz OIAMDEBEPGXXSD-OAHLLOKOSA-N 1 2 347.411 3.520 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CC[NH2+]1 ZINC000505498155 1024354840 /nfs/dbraw/zinc/35/48/40/1024354840.db2.gz IDSKJFRPRLCOQB-WMZOPIPTSA-N 1 2 344.499 3.775 20 0 EHADLO c1ccc(-c2cnc(N3CCC(Nc4cccc[nH+]4)CC3)cn2)cc1 ZINC000895350428 1024362293 /nfs/dbraw/zinc/36/22/93/1024362293.db2.gz SSAGNVFGYLJGFD-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCC(=O)CC1 ZINC000579549669 1024375889 /nfs/dbraw/zinc/37/58/89/1024375889.db2.gz IQBDQEJHJNVIJK-UHFFFAOYSA-N 1 2 337.423 3.584 20 0 EHADLO CC1(C)CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425189181 1024414708 /nfs/dbraw/zinc/41/47/08/1024414708.db2.gz SDHLNBRRMILXHG-KRWDZBQOSA-N 1 2 325.456 3.970 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H]1Cc1ccccc1 ZINC000425193457 1024431777 /nfs/dbraw/zinc/43/17/77/1024431777.db2.gz KPYJHYHVVKGIIW-WOJBJXKFSA-N 1 2 345.446 3.775 20 0 EHADLO C[C@@H]1N(C(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc2C1(C)C ZINC000664450832 1024448296 /nfs/dbraw/zinc/44/82/96/1024448296.db2.gz RYJCRCFHXLHNOC-AWEZNQCLSA-N 1 2 334.423 3.730 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000505543858 1024456247 /nfs/dbraw/zinc/45/62/47/1024456247.db2.gz WIGVZNUEPSDUBM-AUUYWEPGSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000128897520 1033212523 /nfs/dbraw/zinc/21/25/23/1033212523.db2.gz PYHPAGSTTGYGES-MDZRGWNJSA-N 1 2 338.455 3.735 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000895404700 1024478442 /nfs/dbraw/zinc/47/84/42/1024478442.db2.gz KUSCBODTAAAGHJ-WCQYABFASA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000895404700 1024478447 /nfs/dbraw/zinc/47/84/47/1024478447.db2.gz KUSCBODTAAAGHJ-WCQYABFASA-N 1 2 334.407 3.943 20 0 EHADLO COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3ccc(C)cc3)o1)C2 ZINC000895416300 1024485935 /nfs/dbraw/zinc/48/59/35/1024485935.db2.gz YWOYGAIAGFLUIL-UHFFFAOYSA-N 1 2 349.434 3.750 20 0 EHADLO COCc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3ccc(C)cc3)o1)C2 ZINC000895416300 1024485946 /nfs/dbraw/zinc/48/59/46/1024485946.db2.gz YWOYGAIAGFLUIL-UHFFFAOYSA-N 1 2 349.434 3.750 20 0 EHADLO CCOc1cc(C)ccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000151717404 1024489694 /nfs/dbraw/zinc/48/96/94/1024489694.db2.gz UAKHKVVZCZFKMD-FQEVSTJZSA-N 1 2 338.451 3.503 20 0 EHADLO Cc1noc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C ZINC000033865382 1024513988 /nfs/dbraw/zinc/51/39/88/1024513988.db2.gz OLYYTACMXQQTAU-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO C[C@H](N(Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000459159168 1024516595 /nfs/dbraw/zinc/51/65/95/1024516595.db2.gz ZVLDSEYIIPCQOK-INIZCTEOSA-N 1 2 342.487 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCSc4ccccc43)[nH+]c12 ZINC000514495625 1024517071 /nfs/dbraw/zinc/51/70/71/1024517071.db2.gz MHHLCOPFGPYFMM-UHFFFAOYSA-N 1 2 337.448 3.714 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000607618146 1033216812 /nfs/dbraw/zinc/21/68/12/1033216812.db2.gz XYVPXXMJNPTOHO-RUQDQRPJSA-N 1 2 326.484 3.670 20 0 EHADLO C[NH+](C)[C@H](CNc1ccc2ccccc2n1)c1c(F)cccc1F ZINC000522417625 1024527154 /nfs/dbraw/zinc/52/71/54/1024527154.db2.gz GBQBTLHLOCPKQF-QGZVFWFLSA-N 1 2 327.378 3.650 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000042512029 1024533580 /nfs/dbraw/zinc/53/35/80/1024533580.db2.gz WMZWGHXTBMWSEV-MRXNPFEDSA-N 1 2 343.471 3.545 20 0 EHADLO FC(F)(F)c1ccc2oc(C[N@@H+]3CCOCC34CCCC4)nc2c1 ZINC000536484349 1024538384 /nfs/dbraw/zinc/53/83/84/1024538384.db2.gz BMNUILBQHNBXNF-UHFFFAOYSA-N 1 2 340.345 3.992 20 0 EHADLO FC(F)(F)c1ccc2oc(C[N@H+]3CCOCC34CCCC4)nc2c1 ZINC000536484349 1024538390 /nfs/dbraw/zinc/53/83/90/1024538390.db2.gz BMNUILBQHNBXNF-UHFFFAOYSA-N 1 2 340.345 3.992 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000342243563 1024541187 /nfs/dbraw/zinc/54/11/87/1024541187.db2.gz JZZDDHDWWPBDDN-UHFFFAOYSA-N 1 2 347.287 3.645 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2CCC(C)CC2)c1)[NH+]1CCOCC1 ZINC000342243823 1024542145 /nfs/dbraw/zinc/54/21/45/1024542145.db2.gz OTFKCZOFWJGDSN-PQUAAJSLSA-N 1 2 345.487 3.780 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000346240304 1024555607 /nfs/dbraw/zinc/55/56/07/1024555607.db2.gz LWDDOAFEYOWJEC-XJFOESAGSA-N 1 2 349.887 3.811 20 0 EHADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ncc(Cl)s3)C2)cc1C ZINC000895496703 1024570559 /nfs/dbraw/zinc/57/05/59/1024570559.db2.gz AEYVBIWQDLBDJZ-ZDUSSCGKSA-N 1 2 335.860 3.696 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000892075673 1024581635 /nfs/dbraw/zinc/58/16/35/1024581635.db2.gz LZXNHOKQGATSIZ-UHFFFAOYSA-N 1 2 331.256 3.995 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000892075673 1024581637 /nfs/dbraw/zinc/58/16/37/1024581637.db2.gz LZXNHOKQGATSIZ-UHFFFAOYSA-N 1 2 331.256 3.995 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(C)=C(Br)C3)ccc2[nH+]1 ZINC000281053275 1024596868 /nfs/dbraw/zinc/59/68/68/1024596868.db2.gz AYZGLTVYPHVJKK-UHFFFAOYSA-N 1 2 349.232 3.549 20 0 EHADLO C[N@H+](Cc1noc(Cc2ccccc2)n1)[C@@H]1CCc2ccccc2C1 ZINC000114488425 1024600784 /nfs/dbraw/zinc/60/07/84/1024600784.db2.gz JUVHKUQQORCSTN-LJQANCHMSA-N 1 2 333.435 3.650 20 0 EHADLO C[N@@H+](Cc1noc(Cc2ccccc2)n1)[C@@H]1CCc2ccccc2C1 ZINC000114488425 1024600788 /nfs/dbraw/zinc/60/07/88/1024600788.db2.gz JUVHKUQQORCSTN-LJQANCHMSA-N 1 2 333.435 3.650 20 0 EHADLO CCOCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000783491973 1024601846 /nfs/dbraw/zinc/60/18/46/1024601846.db2.gz XITMIKDBGDHJOG-HXUWFJFHSA-N 1 2 327.424 3.633 20 0 EHADLO CCOCOc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000783491973 1024601855 /nfs/dbraw/zinc/60/18/55/1024601855.db2.gz XITMIKDBGDHJOG-HXUWFJFHSA-N 1 2 327.424 3.633 20 0 EHADLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000342261122 1024604235 /nfs/dbraw/zinc/60/42/35/1024604235.db2.gz VVNVZELTFPNIEE-UHFFFAOYSA-N 1 2 325.437 3.658 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@H]3CCc4sccc4C3=O)cc2[nH+]1 ZINC000895554001 1024606332 /nfs/dbraw/zinc/60/63/32/1024606332.db2.gz POIVKFLYHFSSKH-LLVKDONJSA-N 1 2 339.420 3.707 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2csc(CC)n2)c1C(=O)OC ZINC000346352070 1024645719 /nfs/dbraw/zinc/64/57/19/1024645719.db2.gz PLBMCPQDZVGNGP-UHFFFAOYSA-N 1 2 334.441 3.727 20 0 EHADLO COc1ccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)cn1 ZINC001211884888 1024660422 /nfs/dbraw/zinc/66/04/22/1024660422.db2.gz IEAAPSZNKWTRLM-CVEARBPZSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cnc1Cl ZINC000760052060 1024669405 /nfs/dbraw/zinc/66/94/05/1024669405.db2.gz PMYMITKJRJXDRN-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000425305796 1024714615 /nfs/dbraw/zinc/71/46/15/1024714615.db2.gz BIFCXVSCKKZABK-SQNIBIBYSA-N 1 2 337.467 3.969 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000425305793 1024716023 /nfs/dbraw/zinc/71/60/23/1024716023.db2.gz BIFCXVSCKKZABK-FGTMMUONSA-N 1 2 337.467 3.969 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cc(OC)c(O)c(OC)c1 ZINC000895687475 1024721212 /nfs/dbraw/zinc/72/12/12/1024721212.db2.gz ANZOAWRNDGHESL-UHFFFAOYSA-N 1 2 334.441 3.670 20 0 EHADLO CC(C)n1cncc1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000425324236 1024751218 /nfs/dbraw/zinc/75/12/18/1024751218.db2.gz KBYJMLMVXRCFEN-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3n[nH]c4ccccc43)no2)c1 ZINC000346470149 1024756548 /nfs/dbraw/zinc/75/65/48/1024756548.db2.gz WLTDCWWDRONXRT-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO Fc1cc(Br)cc2c1C[N@H+](CCc1ccccn1)CC2 ZINC000342300599 1024761255 /nfs/dbraw/zinc/76/12/55/1024761255.db2.gz MTVGWTXGVYUZAN-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO Fc1cc(Br)cc2c1C[N@@H+](CCc1ccccn1)CC2 ZINC000342300599 1024761269 /nfs/dbraw/zinc/76/12/69/1024761269.db2.gz MTVGWTXGVYUZAN-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO CCN(Cc1occc1C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425329597 1024776978 /nfs/dbraw/zinc/77/69/78/1024776978.db2.gz QYAHSNHXSDIWLA-KRWDZBQOSA-N 1 2 337.423 3.882 20 0 EHADLO COc1ccc(Cl)cc1C=CC(=O)NNc1cc[nH+]cc1Cl ZINC000135870253 1033238270 /nfs/dbraw/zinc/23/82/70/1033238270.db2.gz KKTCHHYDEJSJLR-GORDUTHDSA-N 1 2 338.194 3.554 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000505662156 1024781497 /nfs/dbraw/zinc/78/14/97/1024781497.db2.gz OXJNBIDVTTXVTJ-RDTXWAMCSA-N 1 2 344.430 3.680 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000505662156 1024781512 /nfs/dbraw/zinc/78/15/12/1024781512.db2.gz OXJNBIDVTTXVTJ-RDTXWAMCSA-N 1 2 344.430 3.680 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000514843416 1024784690 /nfs/dbraw/zinc/78/46/90/1024784690.db2.gz NGOIOTDQSYQPLL-LBPRGKRZSA-N 1 2 336.432 3.522 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000514843416 1024784738 /nfs/dbraw/zinc/78/47/38/1024784738.db2.gz NGOIOTDQSYQPLL-LBPRGKRZSA-N 1 2 336.432 3.522 20 0 EHADLO CCC(C)(C)CCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427834168 1024815774 /nfs/dbraw/zinc/81/57/74/1024815774.db2.gz XIXCUBPTHSKNOQ-INIZCTEOSA-N 1 2 349.544 3.678 20 0 EHADLO CC(C)[C@@H]1C[C@@H](Cc2nc(Cc3c[nH+]cn3C)no2)c2ccccc21 ZINC000685350769 1033239666 /nfs/dbraw/zinc/23/96/66/1033239666.db2.gz FLXCTXVCUWBDDA-KSSFIOAISA-N 1 2 336.439 3.864 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000346537897 1024843128 /nfs/dbraw/zinc/84/31/28/1024843128.db2.gz CCTQDCZVYAUBQF-QWHCGFSZSA-N 1 2 328.412 3.694 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000346537897 1024843149 /nfs/dbraw/zinc/84/31/49/1024843149.db2.gz CCTQDCZVYAUBQF-QWHCGFSZSA-N 1 2 328.412 3.694 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](Cc1cccs1)Cc1ccncc1 ZINC000897925424 1033241163 /nfs/dbraw/zinc/24/11/63/1033241163.db2.gz HJCLYKFUVQFUHS-UHFFFAOYSA-N 1 2 326.469 3.696 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000897925424 1033241175 /nfs/dbraw/zinc/24/11/75/1033241175.db2.gz HJCLYKFUVQFUHS-UHFFFAOYSA-N 1 2 326.469 3.696 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000425374424 1024885571 /nfs/dbraw/zinc/88/55/71/1024885571.db2.gz XEYOZMGNVMBLIW-LPHOPBHVSA-N 1 2 335.369 3.573 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000425374424 1024885586 /nfs/dbraw/zinc/88/55/86/1024885586.db2.gz XEYOZMGNVMBLIW-LPHOPBHVSA-N 1 2 335.369 3.573 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000346550857 1024890627 /nfs/dbraw/zinc/89/06/27/1024890627.db2.gz RVSPHQWMYYMLEJ-YYIAUSFCSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000346550857 1024890643 /nfs/dbraw/zinc/89/06/43/1024890643.db2.gz RVSPHQWMYYMLEJ-YYIAUSFCSA-N 1 2 340.467 3.515 20 0 EHADLO Cc1cc([C@H]([NH2+]Cc2ccc(F)cn2)c2cccnc2)ccc1F ZINC000346572265 1024892634 /nfs/dbraw/zinc/89/26/34/1024892634.db2.gz QUCVXEDHMALTSW-IBGZPJMESA-N 1 2 325.362 3.942 20 0 EHADLO COc1nccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1F ZINC000895833433 1024897878 /nfs/dbraw/zinc/89/78/78/1024897878.db2.gz XBQHOLXJWHENEI-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCOC4(CCC4)C3)c2)[nH+]c1C ZINC000895855318 1024914781 /nfs/dbraw/zinc/91/47/81/1024914781.db2.gz SPAWBRUSVLCJQG-MRXNPFEDSA-N 1 2 339.439 3.981 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000346600344 1024938098 /nfs/dbraw/zinc/93/80/98/1024938098.db2.gz FZCMJMSZBDKFEO-KBPBESRZSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000346600344 1024938107 /nfs/dbraw/zinc/93/81/07/1024938107.db2.gz FZCMJMSZBDKFEO-KBPBESRZSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000346600347 1024938367 /nfs/dbraw/zinc/93/83/67/1024938367.db2.gz FZCMJMSZBDKFEO-ZIAGYGMSSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000346600347 1024938380 /nfs/dbraw/zinc/93/83/80/1024938380.db2.gz FZCMJMSZBDKFEO-ZIAGYGMSSA-N 1 2 334.847 3.939 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)n1 ZINC000346639483 1024981900 /nfs/dbraw/zinc/98/19/00/1024981900.db2.gz NDFHOGRRNPXAMR-FQEVSTJZSA-N 1 2 336.414 3.561 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000895937999 1024993855 /nfs/dbraw/zinc/99/38/55/1024993855.db2.gz ZNEJFJDYIJKGFZ-UHFFFAOYSA-N 1 2 330.476 3.874 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000157663449 1025009481 /nfs/dbraw/zinc/00/94/81/1025009481.db2.gz JFTRZYQTGDTALQ-ZDUSSCGKSA-N 1 2 339.443 3.847 20 0 EHADLO CN(C[C@H]1CC=CCC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000342354302 1025032907 /nfs/dbraw/zinc/03/29/07/1025032907.db2.gz IFPWGZJXYHKATR-HNNXBMFYSA-N 1 2 348.516 3.949 20 0 EHADLO Cc1cn2cc(NC(=O)NCC3(Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000435613067 1025033536 /nfs/dbraw/zinc/03/35/36/1025033536.db2.gz ITKIZBCHBUPMED-UHFFFAOYSA-N 1 2 334.423 3.787 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001167533526 1025042896 /nfs/dbraw/zinc/04/28/96/1025042896.db2.gz FVNGWZYXHIVAHY-SWLSCSKDSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001167533526 1025042907 /nfs/dbraw/zinc/04/29/07/1025042907.db2.gz FVNGWZYXHIVAHY-SWLSCSKDSA-N 1 2 346.368 3.619 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000515224322 1025107286 /nfs/dbraw/zinc/10/72/86/1025107286.db2.gz RZMJZIMDXLDGFN-UHFFFAOYSA-N 1 2 347.484 3.540 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000515310275 1025153014 /nfs/dbraw/zinc/15/30/14/1025153014.db2.gz POIJRQUDQXDVHS-GOSISDBHSA-N 1 2 335.407 3.629 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1c2ccccc2-c2ccccc21 ZINC000611914707 1033262952 /nfs/dbraw/zinc/26/29/52/1033262952.db2.gz XJZQUWPLLSEBKD-RTBURBONSA-N 1 2 343.430 3.752 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000469723920 1025175492 /nfs/dbraw/zinc/17/54/92/1025175492.db2.gz ZKWYKBNMIVZPPE-LJQANCHMSA-N 1 2 338.451 3.995 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000469723920 1025175498 /nfs/dbraw/zinc/17/54/98/1025175498.db2.gz ZKWYKBNMIVZPPE-LJQANCHMSA-N 1 2 338.451 3.995 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1Cl ZINC000511065336 1025176197 /nfs/dbraw/zinc/17/61/97/1025176197.db2.gz NYFILWSKVFXTID-CQSZACIVSA-N 1 2 344.842 3.900 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1Cl ZINC000511065336 1025176208 /nfs/dbraw/zinc/17/62/08/1025176208.db2.gz NYFILWSKVFXTID-CQSZACIVSA-N 1 2 344.842 3.900 20 0 EHADLO Cc1cc2scc(Cc3nc(Cc4c[nH+]cn4C)no3)c2s1 ZINC000896164492 1025193187 /nfs/dbraw/zinc/19/31/87/1025193187.db2.gz IDINVCQIDKFZNA-UHFFFAOYSA-N 1 2 330.438 3.569 20 0 EHADLO COc1ccc(CC[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000342398053 1025197457 /nfs/dbraw/zinc/19/74/57/1025197457.db2.gz OHKCVFDNOVSGCV-INIZCTEOSA-N 1 2 349.434 3.632 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCc2c[nH+]cn2C1 ZINC000515391804 1025203619 /nfs/dbraw/zinc/20/36/19/1025203619.db2.gz CGZXPRHCEIXURG-HNNXBMFYSA-N 1 2 329.403 3.655 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000442201185 1025209929 /nfs/dbraw/zinc/20/99/29/1025209929.db2.gz NQVQJHYLYKYDOJ-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(C)cc2OC(C)(C)C)c[nH+]1 ZINC000896896647 1025227041 /nfs/dbraw/zinc/22/70/41/1025227041.db2.gz AYTLVXHROATYQA-UHFFFAOYSA-N 1 2 343.471 3.729 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(CC)c(C)s1 ZINC000191907991 1025237257 /nfs/dbraw/zinc/23/72/57/1025237257.db2.gz PPXGSQFNBPSCAC-UHFFFAOYSA-N 1 2 349.504 3.717 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccn1 ZINC000375666021 1025254067 /nfs/dbraw/zinc/25/40/67/1025254067.db2.gz SIWKYKZQXKMLBQ-UWJYYQICSA-N 1 2 348.450 3.580 20 0 EHADLO CCCC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC)cc1 ZINC000152168302 1025259627 /nfs/dbraw/zinc/25/96/27/1025259627.db2.gz OLNLXFQNBKFWPN-VQIMIIECSA-N 1 2 341.455 3.502 20 0 EHADLO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC000896246291 1025275011 /nfs/dbraw/zinc/27/50/11/1025275011.db2.gz PEKNFWXGHDFECA-STQMWFEESA-N 1 2 325.441 3.512 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C[C@H]12 ZINC001143436186 1025285908 /nfs/dbraw/zinc/28/59/08/1025285908.db2.gz LGEIORCZRRJRHG-GAJTVXKRSA-N 1 2 335.753 3.705 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C[C@H]12 ZINC001143436186 1025285925 /nfs/dbraw/zinc/28/59/25/1025285925.db2.gz LGEIORCZRRJRHG-GAJTVXKRSA-N 1 2 335.753 3.705 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)[nH]1 ZINC000277478220 1025293691 /nfs/dbraw/zinc/29/36/91/1025293691.db2.gz SIDHUOSOEZTLOT-ZJUUUORDSA-N 1 2 342.365 3.910 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000346920277 1025294750 /nfs/dbraw/zinc/29/47/50/1025294750.db2.gz QPUYTBFMEISYFB-ROUUACIJSA-N 1 2 349.519 3.525 20 0 EHADLO Cc1nc(-c2ccc([C@@H](C)[NH2+][C@H](C)c3nccc(N)n3)cc2)cs1 ZINC000521266516 1025299107 /nfs/dbraw/zinc/29/91/07/1025299107.db2.gz CPNJRZLFDWXYHQ-VXGBXAGGSA-N 1 2 339.468 3.733 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1F)c1nnc2ccccn21 ZINC000657341370 1025316434 /nfs/dbraw/zinc/31/64/34/1025316434.db2.gz WDTYCIHHFDQMPH-INIZCTEOSA-N 1 2 334.345 3.634 20 0 EHADLO O=C(Nc1ccccc1Cl)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000585335518 1025317873 /nfs/dbraw/zinc/31/78/73/1025317873.db2.gz FOFSMYZUAMZYGE-AWEZNQCLSA-N 1 2 331.803 3.810 20 0 EHADLO O=C(Nc1cccnc1N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342417945 1025320790 /nfs/dbraw/zinc/32/07/90/1025320790.db2.gz FOVAPTBIDHEPCN-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)cc1Cl ZINC000346933359 1025327316 /nfs/dbraw/zinc/32/73/16/1025327316.db2.gz MUSSHNKEWUSTNW-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc(C)c1Cl ZINC000442492810 1025333495 /nfs/dbraw/zinc/33/34/95/1025333495.db2.gz KEDBRVOTBFCXQZ-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388816 1033275259 /nfs/dbraw/zinc/27/52/59/1033275259.db2.gz AXSAJMOBGQMULV-KXBFYZLASA-N 1 2 343.446 3.908 20 0 EHADLO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388816 1033275268 /nfs/dbraw/zinc/27/52/68/1033275268.db2.gz AXSAJMOBGQMULV-KXBFYZLASA-N 1 2 343.446 3.908 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC000515549296 1025341413 /nfs/dbraw/zinc/34/14/13/1025341413.db2.gz INGPZTMIUPOGQY-UHFFFAOYSA-N 1 2 340.467 3.648 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC000515549296 1025341415 /nfs/dbraw/zinc/34/14/15/1025341415.db2.gz INGPZTMIUPOGQY-UHFFFAOYSA-N 1 2 340.467 3.648 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346959933 1025353952 /nfs/dbraw/zinc/35/39/52/1025353952.db2.gz CWNRURRYQWWJJF-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346959933 1025353965 /nfs/dbraw/zinc/35/39/65/1025353965.db2.gz CWNRURRYQWWJJF-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c(C)c1C ZINC000346973802 1025371223 /nfs/dbraw/zinc/37/12/23/1025371223.db2.gz IEDJCEJASIWLEX-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c(C)c1C ZINC000346973802 1025371232 /nfs/dbraw/zinc/37/12/32/1025371232.db2.gz IEDJCEJASIWLEX-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CC[C@@H](C)C3)cn2c1 ZINC000346974229 1025373266 /nfs/dbraw/zinc/37/32/66/1025373266.db2.gz IRNXWJIWXMAOFR-CZUORRHYSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4c(F)cc(F)cc4[C@@H]3C)ccn12 ZINC000521458133 1025393657 /nfs/dbraw/zinc/39/36/57/1025393657.db2.gz CFINVTXTKSNIOK-LBPRGKRZSA-N 1 2 341.361 3.680 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000591542468 1025400296 /nfs/dbraw/zinc/40/02/96/1025400296.db2.gz OEQDCXSBBDSJLF-INIZCTEOSA-N 1 2 340.471 3.897 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000574534222 1033276914 /nfs/dbraw/zinc/27/69/14/1033276914.db2.gz MLJSWTJJJNJIKJ-NRFANRHFSA-N 1 2 349.409 3.892 20 0 EHADLO Cc1nc(N[C@@H]2CCCc3cccnc32)c(Br)c(C)[nH+]1 ZINC000896411585 1025416120 /nfs/dbraw/zinc/41/61/20/1025416120.db2.gz BQFDIXWWOXSYNI-GFCCVEGCSA-N 1 2 333.233 3.740 20 0 EHADLO Fc1cncc([C@@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C2CC2)c1 ZINC000281753916 1025441196 /nfs/dbraw/zinc/44/11/96/1025441196.db2.gz WAXHXUBWEYVWLL-FQEVSTJZSA-N 1 2 334.398 3.919 20 0 EHADLO CCCc1nc(C)c(C[N@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)o1 ZINC000428257945 1025447532 /nfs/dbraw/zinc/44/75/32/1025447532.db2.gz UZHWGGYWZNDCPM-KRWDZBQOSA-N 1 2 341.455 3.563 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)o1 ZINC000428257945 1025447534 /nfs/dbraw/zinc/44/75/34/1025447534.db2.gz UZHWGGYWZNDCPM-KRWDZBQOSA-N 1 2 341.455 3.563 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000684776790 1025455719 /nfs/dbraw/zinc/45/57/19/1025455719.db2.gz LRAJWESABPTSSA-DZGCQCFKSA-N 1 2 338.238 3.642 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1Cl ZINC000451047857 1025467603 /nfs/dbraw/zinc/46/76/03/1025467603.db2.gz XVEXUPHATIIDIO-GOEBONIOSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1Cl ZINC000451047857 1025467612 /nfs/dbraw/zinc/46/76/12/1025467612.db2.gz XVEXUPHATIIDIO-GOEBONIOSA-N 1 2 337.847 3.516 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500072 1025477684 /nfs/dbraw/zinc/47/76/84/1025477684.db2.gz XEYCVDPDLCVJNS-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500072 1025477694 /nfs/dbraw/zinc/47/76/94/1025477694.db2.gz XEYCVDPDLCVJNS-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(C(C)(C)C)n1 ZINC000281772139 1025481511 /nfs/dbraw/zinc/48/15/11/1025481511.db2.gz SZKOBTFHXZZYIR-UHFFFAOYSA-N 1 2 329.341 3.564 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000665453362 1025488896 /nfs/dbraw/zinc/48/88/96/1025488896.db2.gz KCPBHGFOZQXXSU-JKSUJKDBSA-N 1 2 330.476 3.802 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CC(C)(C)OC1(C)C ZINC000896515853 1025524517 /nfs/dbraw/zinc/52/45/17/1025524517.db2.gz AQPKJURIYHNSAR-GFCCVEGCSA-N 1 2 331.464 3.587 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@@](=O)C1 ZINC000277511552 1025548650 /nfs/dbraw/zinc/54/86/50/1025548650.db2.gz QDQFOJRXAANTRM-WAIKUNEKSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@@](=O)C1 ZINC000277511552 1025548661 /nfs/dbraw/zinc/54/86/61/1025548661.db2.gz QDQFOJRXAANTRM-WAIKUNEKSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccs1 ZINC000281833137 1025554766 /nfs/dbraw/zinc/55/47/66/1025554766.db2.gz ADHJGRGPPRDUAF-HUUCEWRRSA-N 1 2 343.496 3.791 20 0 EHADLO C[C@@]1(F)CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451119305 1025555727 /nfs/dbraw/zinc/55/57/27/1025555727.db2.gz ZYQDWISFESTBSL-CQSZACIVSA-N 1 2 327.197 3.914 20 0 EHADLO C[C@@]1(F)CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451119305 1025555737 /nfs/dbraw/zinc/55/57/37/1025555737.db2.gz ZYQDWISFESTBSL-CQSZACIVSA-N 1 2 327.197 3.914 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC000451118187 1025555803 /nfs/dbraw/zinc/55/58/03/1025555803.db2.gz XQEWAEDCGMLCQD-ICSRJNTNSA-N 1 2 348.462 3.573 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000451118187 1025555812 /nfs/dbraw/zinc/55/58/12/1025555812.db2.gz XQEWAEDCGMLCQD-ICSRJNTNSA-N 1 2 348.462 3.573 20 0 EHADLO Cc1cccnc1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000521681039 1025581654 /nfs/dbraw/zinc/58/16/54/1025581654.db2.gz MCTKGDCYHUDSKU-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO CCCCN([C@H](C)CC)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442917386 1025582582 /nfs/dbraw/zinc/58/25/82/1025582582.db2.gz AIQPDHFHLQQBRU-MRXNPFEDSA-N 1 2 349.500 3.521 20 0 EHADLO CCCc1csc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000530289860 1025595931 /nfs/dbraw/zinc/59/59/31/1025595931.db2.gz HXBDQLNAXMJMRS-NSHDSACASA-N 1 2 332.473 3.686 20 0 EHADLO CCCc1csc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000530289860 1025595942 /nfs/dbraw/zinc/59/59/42/1025595942.db2.gz HXBDQLNAXMJMRS-NSHDSACASA-N 1 2 332.473 3.686 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cncc(Br)c2)C1 ZINC000347168722 1025606843 /nfs/dbraw/zinc/60/68/43/1025606843.db2.gz OASNINNWWSRJTL-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cncc(Br)c2)C1 ZINC000347168722 1025606854 /nfs/dbraw/zinc/60/68/54/1025606854.db2.gz OASNINNWWSRJTL-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000898021380 1033294277 /nfs/dbraw/zinc/29/42/77/1033294277.db2.gz FKCAUFHSZDCMAD-UHFFFAOYSA-N 1 2 349.303 3.639 20 0 EHADLO COc1ccc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000179140658 1025616204 /nfs/dbraw/zinc/61/62/04/1025616204.db2.gz LFFLSHVSZONASD-HSZRJFAPSA-N 1 2 348.855 3.754 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000442959464 1025621637 /nfs/dbraw/zinc/62/16/37/1025621637.db2.gz ABCOTTDMGHMIGA-VQIMIIECSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3c3cccnc3)nc(N)c2c1C ZINC000329203152 1025663223 /nfs/dbraw/zinc/66/32/23/1025663223.db2.gz CNGHYJMOZJIQBP-CQSZACIVSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H]3c3cccnc3)nc(N)c2c1C ZINC000329203152 1025663229 /nfs/dbraw/zinc/66/32/29/1025663229.db2.gz CNGHYJMOZJIQBP-CQSZACIVSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443060066 1025675767 /nfs/dbraw/zinc/67/57/67/1025675767.db2.gz FGNOJFMCTLZJJT-UHFFFAOYSA-N 1 2 329.492 3.800 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443060066 1025675778 /nfs/dbraw/zinc/67/57/78/1025675778.db2.gz FGNOJFMCTLZJJT-UHFFFAOYSA-N 1 2 329.492 3.800 20 0 EHADLO Cc1cccc(Oc2ccc(NC(=O)NCc3c[nH+]cn3C)cc2)c1 ZINC000349904308 1025684312 /nfs/dbraw/zinc/68/43/12/1025684312.db2.gz JDUJPZHAXNAHLZ-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000664553592 1025685802 /nfs/dbraw/zinc/68/58/02/1025685802.db2.gz CVOXWYAGGOKKAI-AFAVFJNCSA-N 1 2 339.430 3.540 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000664553592 1025685808 /nfs/dbraw/zinc/68/58/08/1025685808.db2.gz CVOXWYAGGOKKAI-AFAVFJNCSA-N 1 2 339.430 3.540 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000431376906 1025686352 /nfs/dbraw/zinc/68/63/52/1025686352.db2.gz NWCFTKVAHMRXOX-RUCARUNLSA-N 1 2 340.471 3.699 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2cncc(Br)c2)s1 ZINC000515869479 1025692430 /nfs/dbraw/zinc/69/24/30/1025692430.db2.gz BUUBTNXYVQOVPC-SECBINFHSA-N 1 2 326.263 3.714 20 0 EHADLO CC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000425547745 1025720147 /nfs/dbraw/zinc/72/01/47/1025720147.db2.gz JAWLPMCPDNBRFF-RTBURBONSA-N 1 2 329.827 3.851 20 0 EHADLO CC(=O)c1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000425547745 1025720164 /nfs/dbraw/zinc/72/01/64/1025720164.db2.gz JAWLPMCPDNBRFF-RTBURBONSA-N 1 2 329.827 3.851 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc([S@@](C)=O)cc1 ZINC000342470741 1025721628 /nfs/dbraw/zinc/72/16/28/1025721628.db2.gz IKGLDYQEQSVAOM-DAOPMYJZSA-N 1 2 346.477 3.991 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000119719153 1025732756 /nfs/dbraw/zinc/73/27/56/1025732756.db2.gz IUGPLGJGXNSPRF-KRWDZBQOSA-N 1 2 343.496 3.501 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000119719153 1025732761 /nfs/dbraw/zinc/73/27/61/1025732761.db2.gz IUGPLGJGXNSPRF-KRWDZBQOSA-N 1 2 343.496 3.501 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccccc1Cl ZINC000505830889 1025758562 /nfs/dbraw/zinc/75/85/62/1025758562.db2.gz HUVQCGFJFCTDFZ-HNNXBMFYSA-N 1 2 344.842 3.679 20 0 EHADLO O=C(C[N@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccccc1Cl ZINC000505830889 1025758579 /nfs/dbraw/zinc/75/85/79/1025758579.db2.gz HUVQCGFJFCTDFZ-HNNXBMFYSA-N 1 2 344.842 3.679 20 0 EHADLO CC[C@H](C)OCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425565913 1025763220 /nfs/dbraw/zinc/76/32/20/1025763220.db2.gz GWXCMBRGCCMLMH-AWEZNQCLSA-N 1 2 327.428 3.640 20 0 EHADLO CC[C@H]([NH2+]Cc1cnn2c1CCC2)c1nc(C(F)(F)F)cs1 ZINC000657385472 1025780519 /nfs/dbraw/zinc/78/05/19/1025780519.db2.gz ZRQPDLFSTDWPTJ-JTQLQIEISA-N 1 2 330.379 3.546 20 0 EHADLO CC[N@H+](Cc1ccnn1CC(C)C)Cc1ccc(OC)cc1OC ZINC000648002258 1025785679 /nfs/dbraw/zinc/78/56/79/1025785679.db2.gz JASDADJSIUVCCE-UHFFFAOYSA-N 1 2 331.460 3.578 20 0 EHADLO CC[N@@H+](Cc1ccnn1CC(C)C)Cc1ccc(OC)cc1OC ZINC000648002258 1025785693 /nfs/dbraw/zinc/78/56/93/1025785693.db2.gz JASDADJSIUVCCE-UHFFFAOYSA-N 1 2 331.460 3.578 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CC[C@H](C)C4)n2)C1 ZINC000329398928 1025809540 /nfs/dbraw/zinc/80/95/40/1025809540.db2.gz XEEBKFVBITWBTL-GXTWGEPZSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CC[C@H](C)C4)n2)C1 ZINC000329398928 1025809562 /nfs/dbraw/zinc/80/95/62/1025809562.db2.gz XEEBKFVBITWBTL-GXTWGEPZSA-N 1 2 347.484 3.705 20 0 EHADLO O=C(Cc1cncs1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425580747 1025821229 /nfs/dbraw/zinc/82/12/29/1025821229.db2.gz YMHAKXUZDACHEG-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO COCC1(C2CC2)C[NH+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000639380796 1025842735 /nfs/dbraw/zinc/84/27/35/1025842735.db2.gz WKLCNMHREXCIFL-UHFFFAOYSA-N 1 2 331.790 3.800 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)s1 ZINC000303957742 1025849832 /nfs/dbraw/zinc/84/98/32/1025849832.db2.gz XZZOZZGZNWNNNR-UKRRQHHQSA-N 1 2 339.549 3.900 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)s1 ZINC000303957742 1025849850 /nfs/dbraw/zinc/84/98/50/1025849850.db2.gz XZZOZZGZNWNNNR-UKRRQHHQSA-N 1 2 339.549 3.900 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OCc2ccccc2)nc1 ZINC000684820837 1025854595 /nfs/dbraw/zinc/85/45/95/1025854595.db2.gz PELRQMODGZFCCS-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)s1 ZINC000451359225 1025866011 /nfs/dbraw/zinc/86/60/11/1025866011.db2.gz VUIJZEASODQVRU-AWEZNQCLSA-N 1 2 341.839 3.970 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=S)NC2(C)CCC2)c(C)c1 ZINC000840737797 1025872202 /nfs/dbraw/zinc/87/22/02/1025872202.db2.gz QUTHRDQQBNDLBZ-KRWDZBQOSA-N 1 2 342.512 3.648 20 0 EHADLO COc1cc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)sn1 ZINC000896705039 1025878291 /nfs/dbraw/zinc/87/82/91/1025878291.db2.gz AYHNBMYWJJAQTD-CYBMUJFWSA-N 1 2 342.424 3.539 20 0 EHADLO COc1cc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)sn1 ZINC000896705039 1025878307 /nfs/dbraw/zinc/87/83/07/1025878307.db2.gz AYHNBMYWJJAQTD-CYBMUJFWSA-N 1 2 342.424 3.539 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)s1 ZINC000522034785 1025899270 /nfs/dbraw/zinc/89/92/70/1025899270.db2.gz GKIPJTWRURRVTC-ROUUACIJSA-N 1 2 347.455 3.934 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)s1 ZINC000522034785 1025899289 /nfs/dbraw/zinc/89/92/89/1025899289.db2.gz GKIPJTWRURRVTC-ROUUACIJSA-N 1 2 347.455 3.934 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000451408300 1025911994 /nfs/dbraw/zinc/91/19/94/1025911994.db2.gz XLTPCAJRJNKRIB-OALUTQOASA-N 1 2 337.467 3.762 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)cccc1Cl ZINC000451393277 1025917251 /nfs/dbraw/zinc/91/72/51/1025917251.db2.gz JHAFLRLDERWLLO-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)C[C@H](C)[C@H]3C)cn2c1 ZINC000474946216 1025928098 /nfs/dbraw/zinc/92/80/98/1025928098.db2.gz MRHUORDJRQVVKX-OWCLPIDISA-N 1 2 345.512 3.769 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)C[C@@H](C)[C@H]3C)cn2c1 ZINC000474946208 1025928248 /nfs/dbraw/zinc/92/82/48/1025928248.db2.gz MRHUORDJRQVVKX-BZUAXINKSA-N 1 2 345.512 3.769 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)[nH+]c1C ZINC000896910239 1025935988 /nfs/dbraw/zinc/93/59/88/1025935988.db2.gz MEUDDIUMFZHDJA-UHFFFAOYSA-N 1 2 339.361 3.796 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)[nH+]c1C ZINC000896913685 1025967915 /nfs/dbraw/zinc/96/79/15/1025967915.db2.gz VJUMZFNFYRZOKZ-YOEHRIQHSA-N 1 2 335.492 3.798 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CCS1 ZINC000444272357 1025994521 /nfs/dbraw/zinc/99/45/21/1025994521.db2.gz VZRPWEIYVHPMAV-CQSZACIVSA-N 1 2 349.525 3.561 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CCS1 ZINC000444272357 1025994542 /nfs/dbraw/zinc/99/45/42/1025994542.db2.gz VZRPWEIYVHPMAV-CQSZACIVSA-N 1 2 349.525 3.561 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)[nH+]c12 ZINC000522961620 1026002885 /nfs/dbraw/zinc/00/28/85/1026002885.db2.gz LBMBPCUQYZSRQL-CQSZACIVSA-N 1 2 325.387 3.544 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473660 1026019443 /nfs/dbraw/zinc/01/94/43/1026019443.db2.gz WTZFGPHMTSTUOI-NUJGCVRESA-N 1 2 329.488 3.752 20 0 EHADLO CC[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000443435924 1026040252 /nfs/dbraw/zinc/04/02/52/1026040252.db2.gz KQQFZPFTTAUHNI-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO COC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000103078106 1026047666 /nfs/dbraw/zinc/04/76/66/1026047666.db2.gz BASBKOBTNKRIQV-UHFFFAOYSA-N 1 2 336.351 3.507 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCSc3ccccc32)s1 ZINC000314621672 1026063468 /nfs/dbraw/zinc/06/34/68/1026063468.db2.gz JXAPQXKUYRCUIV-CMPLNLGQSA-N 1 2 334.466 3.817 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)s1 ZINC000639383130 1026070019 /nfs/dbraw/zinc/07/00/19/1026070019.db2.gz RIQODUDJDZWZCW-LBPRGKRZSA-N 1 2 339.468 3.760 20 0 EHADLO FC(F)C1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCC1 ZINC000896821247 1026083816 /nfs/dbraw/zinc/08/38/16/1026083816.db2.gz QPGSAPMJNMSENE-UHFFFAOYSA-N 1 2 330.338 3.533 20 0 EHADLO Cc1[nH]c(CNC(=O)CSc2cc(Cl)ccc2Cl)[nH+]c1C ZINC000896929440 1026087013 /nfs/dbraw/zinc/08/70/13/1026087013.db2.gz IEMNOBGMEFXGRW-UHFFFAOYSA-N 1 2 344.267 3.742 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000530634251 1026140247 /nfs/dbraw/zinc/14/02/47/1026140247.db2.gz ICZHAAWIWXVITQ-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/SCc1ccco1 ZINC000277589907 1026199619 /nfs/dbraw/zinc/19/96/19/1026199619.db2.gz PAIMQILCQQTUIS-RIYZIHGNSA-N 1 2 347.484 3.724 20 0 EHADLO C[C@@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC=CCC1 ZINC000451659845 1026210920 /nfs/dbraw/zinc/21/09/20/1026210920.db2.gz BYVQPIIYSOFDRB-OXQOHEQNSA-N 1 2 327.472 3.672 20 0 EHADLO C[C@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC=CCC1 ZINC000451659846 1026211079 /nfs/dbraw/zinc/21/10/79/1026211079.db2.gz BYVQPIIYSOFDRB-UZLBHIALSA-N 1 2 327.472 3.672 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000127641401 1026225675 /nfs/dbraw/zinc/22/56/75/1026225675.db2.gz JSTKXRQRJPWREI-GDBMZVCRSA-N 1 2 344.434 3.732 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2cccc(C)c2)s1 ZINC000122177234 1026261210 /nfs/dbraw/zinc/26/12/10/1026261210.db2.gz MXEMZGKGMPCFRI-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2cccc(C)c2)s1 ZINC000122177234 1026261223 /nfs/dbraw/zinc/26/12/23/1026261223.db2.gz MXEMZGKGMPCFRI-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(=O)NCc1cccs1 ZINC000532571222 1026287227 /nfs/dbraw/zinc/28/72/27/1026287227.db2.gz CHCUBBVSNDURHQ-INIZCTEOSA-N 1 2 338.423 3.726 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000532571222 1026287236 /nfs/dbraw/zinc/28/72/36/1026287236.db2.gz CHCUBBVSNDURHQ-INIZCTEOSA-N 1 2 338.423 3.726 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccnn2CC2CCC2)o1 ZINC000925139647 1026323683 /nfs/dbraw/zinc/32/36/83/1026323683.db2.gz FHVXGQBYCQXQIL-WMLDXEAASA-N 1 2 331.460 3.877 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841564 1026337232 /nfs/dbraw/zinc/33/72/32/1026337232.db2.gz PXBSGNVZZVWMAN-YJBOKZPZSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841564 1026337241 /nfs/dbraw/zinc/33/72/41/1026337241.db2.gz PXBSGNVZZVWMAN-YJBOKZPZSA-N 1 2 330.472 3.986 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2cnc3cc(C)nn3c2C)c[nH+]1 ZINC000192762795 1026339392 /nfs/dbraw/zinc/33/93/92/1026339392.db2.gz CMYYYOZBPITUJG-CQSZACIVSA-N 1 2 338.459 3.760 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000563364899 1026345613 /nfs/dbraw/zinc/34/56/13/1026345613.db2.gz RJTPKGVWQBAGBE-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000563364899 1026345623 /nfs/dbraw/zinc/34/56/23/1026345623.db2.gz RJTPKGVWQBAGBE-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO c1nc2cnccn2c1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277631650 1026367645 /nfs/dbraw/zinc/36/76/45/1026367645.db2.gz CIVXLSMGSCEGBA-UHFFFAOYSA-N 1 2 344.422 3.541 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)C1CC1 ZINC000530905109 1026389748 /nfs/dbraw/zinc/38/97/48/1026389748.db2.gz ZJTGMMIHSDLUKV-KGLIPLIRSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)C1CC1 ZINC000530905109 1026389762 /nfs/dbraw/zinc/38/97/62/1026389762.db2.gz ZJTGMMIHSDLUKV-KGLIPLIRSA-N 1 2 330.447 3.534 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000342596933 1026412910 /nfs/dbraw/zinc/41/29/10/1026412910.db2.gz ZTXTWUVTPNRSAB-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO Clc1ccccc1[C@H](CNc1nc(C2CC2)ns1)[NH+]1CCCC1 ZINC000530934123 1026417713 /nfs/dbraw/zinc/41/77/13/1026417713.db2.gz KINLFKBEAMAASH-HNNXBMFYSA-N 1 2 348.903 3.740 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530945273 1026425121 /nfs/dbraw/zinc/42/51/21/1026425121.db2.gz DRXUGILWUVHDAK-UHFFFAOYSA-N 1 2 342.443 3.917 20 0 EHADLO COc1cccc2c(N[C@H](C)c3ccc4c(c3)NC(=O)CO4)cc[nH+]c12 ZINC000193482012 1026426351 /nfs/dbraw/zinc/42/63/51/1026426351.db2.gz RZHRWHBTLRZOHW-GFCCVEGCSA-N 1 2 349.390 3.747 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C2CC2)O1 ZINC000475296409 1026448100 /nfs/dbraw/zinc/44/81/00/1026448100.db2.gz USPRKRGPOASPRN-BZNIZROVSA-N 1 2 347.352 3.766 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C2CC2)O1 ZINC000475296409 1026448104 /nfs/dbraw/zinc/44/81/04/1026448104.db2.gz USPRKRGPOASPRN-BZNIZROVSA-N 1 2 347.352 3.766 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000475302447 1026456682 /nfs/dbraw/zinc/45/66/82/1026456682.db2.gz MEESTWNXGFXZPX-SCEWNMGZSA-N 1 2 334.463 3.648 20 0 EHADLO Fc1ccc2c(c1)onc2C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000582515541 1026464887 /nfs/dbraw/zinc/46/48/87/1026464887.db2.gz SXTIFMATECWNNE-UHFFFAOYSA-N 1 2 342.374 3.607 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)cc1 ZINC000657452229 1026512076 /nfs/dbraw/zinc/51/20/76/1026512076.db2.gz BJJUKOWUCDEARF-OAQYLSRUSA-N 1 2 332.451 3.876 20 0 EHADLO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)cc1F ZINC000152673695 1026516534 /nfs/dbraw/zinc/51/65/34/1026516534.db2.gz XPFRNNDPOFDFFJ-QGZVFWFLSA-N 1 2 328.366 3.786 20 0 EHADLO C[N@@H+](Cc1cc(Br)ccc1F)Cc1cccc2nccn21 ZINC000342638369 1026535311 /nfs/dbraw/zinc/53/53/11/1026535311.db2.gz QHHQHLJLJGXUGG-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@H+](Cc1cc(Br)ccc1F)Cc1cccc2nccn21 ZINC000342638369 1026535318 /nfs/dbraw/zinc/53/53/18/1026535318.db2.gz QHHQHLJLJGXUGG-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO CN(Cc1cc(Br)ccc1F)Cc1cccc2[nH+]ccn21 ZINC000342638369 1026535326 /nfs/dbraw/zinc/53/53/26/1026535326.db2.gz QHHQHLJLJGXUGG-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC[C@H]1c1ccccc1 ZINC000582552810 1026565210 /nfs/dbraw/zinc/56/52/10/1026565210.db2.gz OZQKPRNMJBABRC-SFHVURJKSA-N 1 2 347.422 3.695 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC[C@@H]1c1ccccc1 ZINC000582552809 1026566195 /nfs/dbraw/zinc/56/61/95/1026566195.db2.gz OZQKPRNMJBABRC-GOSISDBHSA-N 1 2 347.422 3.695 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000684914910 1026577035 /nfs/dbraw/zinc/57/70/35/1026577035.db2.gz FWWAPGPMBHSGPM-HOTGVXAUSA-N 1 2 339.430 3.540 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000684914910 1026577039 /nfs/dbraw/zinc/57/70/39/1026577039.db2.gz FWWAPGPMBHSGPM-HOTGVXAUSA-N 1 2 339.430 3.540 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500522 1026584921 /nfs/dbraw/zinc/58/49/21/1026584921.db2.gz WJBIZDLTRHQSPW-INIZCTEOSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500522 1026584932 /nfs/dbraw/zinc/58/49/32/1026584932.db2.gz WJBIZDLTRHQSPW-INIZCTEOSA-N 1 2 345.516 3.821 20 0 EHADLO Cn1cc([C@@]2(CNc3cc[nH+]c4c(Cl)cccc34)CCCO2)cn1 ZINC000897255844 1026588135 /nfs/dbraw/zinc/58/81/35/1026588135.db2.gz TVCZTEMPRVLOHQ-SFHVURJKSA-N 1 2 342.830 3.740 20 0 EHADLO Fc1ccc([C@@H]2C[C@H]2Nc2ccc(Cn3cc[nH+]c3)cn2)cc1F ZINC001168065316 1026641700 /nfs/dbraw/zinc/64/17/00/1026641700.db2.gz ABEKHGIZHRNDMC-WMLDXEAASA-N 1 2 326.350 3.573 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000192942775 1026648063 /nfs/dbraw/zinc/64/80/63/1026648063.db2.gz QUFIQCAYSSPUGJ-HXUWFJFHSA-N 1 2 332.382 3.748 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(OC)c1 ZINC000168017182 1026648110 /nfs/dbraw/zinc/64/81/10/1026648110.db2.gz WZGXOJDVEYTNLQ-CZUORRHYSA-N 1 2 344.459 3.604 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(OC)c1 ZINC000168016965 1026649047 /nfs/dbraw/zinc/64/90/47/1026649047.db2.gz WZGXOJDVEYTNLQ-XJKSGUPXSA-N 1 2 344.459 3.604 20 0 EHADLO O=C(Cc1cncs1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277715911 1026661569 /nfs/dbraw/zinc/66/15/69/1026661569.db2.gz NXERVHFBMWVKJT-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO Cc1cc(NCc2cccnc2OCC(F)(F)F)nc(C(C)C)[nH+]1 ZINC000301106499 1026688273 /nfs/dbraw/zinc/68/82/73/1026688273.db2.gz SLZGQAVDAKGQJF-UHFFFAOYSA-N 1 2 340.349 3.857 20 0 EHADLO Cc1cc(C)n(-c2ccc(CNc3cc(C)[nH+]c(C(C)C)n3)cn2)n1 ZINC000301110003 1026690157 /nfs/dbraw/zinc/69/01/57/1026690157.db2.gz RLQNCZHAPALKAG-UHFFFAOYSA-N 1 2 336.443 3.718 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665646533 1026723565 /nfs/dbraw/zinc/72/35/65/1026723565.db2.gz UWSMIZRZGAWGGI-NVXWUHKLSA-N 1 2 331.847 3.769 20 0 EHADLO COc1ccc(-n2ccc(CNc3cc(C)[nH+]c(C(C)C)n3)n2)cc1 ZINC000301221751 1026728204 /nfs/dbraw/zinc/72/82/04/1026728204.db2.gz CFCLROMBNHNVPZ-UHFFFAOYSA-N 1 2 337.427 3.715 20 0 EHADLO c1nc(N2CC[NH+](Cc3cccnc3)CC2)sc1-c1ccccc1 ZINC000301426519 1026802714 /nfs/dbraw/zinc/80/27/14/1026802714.db2.gz CPGAEWMCFRREQL-UHFFFAOYSA-N 1 2 336.464 3.527 20 0 EHADLO C[C@H](CCc1cccn1C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301483747 1026824551 /nfs/dbraw/zinc/82/45/51/1026824551.db2.gz ZVANFFNFUWIOIP-OAHLLOKOSA-N 1 2 346.438 3.587 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025416008 1026857380 /nfs/dbraw/zinc/85/73/80/1026857380.db2.gz DTBCMCDVHPLCBQ-OAQYLSRUSA-N 1 2 331.419 3.708 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccc(F)cc1 ZINC000025416386 1026858676 /nfs/dbraw/zinc/85/86/76/1026858676.db2.gz KVOBEAPMOYJBLL-FQEVSTJZSA-N 1 2 335.382 3.538 20 0 EHADLO COc1ccc(OC)c([C@H](O)CNc2[nH+]c3ccccc3cc2C)c1 ZINC000301574891 1026859972 /nfs/dbraw/zinc/85/99/72/1026859972.db2.gz PVCJLXFYESTYJD-GOSISDBHSA-N 1 2 338.407 3.706 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000582656974 1026879490 /nfs/dbraw/zinc/87/94/90/1026879490.db2.gz PHQFUFKALYPETH-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000582656974 1026879498 /nfs/dbraw/zinc/87/94/98/1026879498.db2.gz PHQFUFKALYPETH-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000582656974 1026879507 /nfs/dbraw/zinc/87/95/07/1026879507.db2.gz PHQFUFKALYPETH-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000582656974 1026879514 /nfs/dbraw/zinc/87/95/14/1026879514.db2.gz PHQFUFKALYPETH-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO Cc1nc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000301648426 1026886831 /nfs/dbraw/zinc/88/68/31/1026886831.db2.gz FHZYZYRNQQXLTD-ZBFHGGJFSA-N 1 2 348.491 3.531 20 0 EHADLO Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c(Cl)c1 ZINC000582671002 1026906393 /nfs/dbraw/zinc/90/63/93/1026906393.db2.gz RSJBWHFFJNBHAS-UHFFFAOYSA-N 1 2 331.847 3.617 20 0 EHADLO COc1ccc2nc(C)nc(NCCCCNc3cccc[nH+]3)c2c1 ZINC000301796591 1026941437 /nfs/dbraw/zinc/94/14/37/1026941437.db2.gz AKSHZWUBEVVOQA-UHFFFAOYSA-N 1 2 337.427 3.646 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1c(C)noc1C ZINC000301832005 1026955518 /nfs/dbraw/zinc/95/55/18/1026955518.db2.gz RAEWRLKVMINDRD-INIZCTEOSA-N 1 2 348.410 3.984 20 0 EHADLO C[C@H](C[C@@H](O)c1ccccc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301851378 1026963942 /nfs/dbraw/zinc/96/39/42/1026963942.db2.gz ANBVVIQVQMNETI-CZUORRHYSA-N 1 2 339.443 3.505 20 0 EHADLO COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000153053864 1026975544 /nfs/dbraw/zinc/97/55/44/1026975544.db2.gz KFOVIBIUPQUPNW-QGZVFWFLSA-N 1 2 347.418 3.511 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301878795 1026976550 /nfs/dbraw/zinc/97/65/50/1026976550.db2.gz JJXLSLFTQDGOSB-GFCCVEGCSA-N 1 2 327.407 3.764 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)c(CC)o3)CC2)s1 ZINC000472243132 1026976831 /nfs/dbraw/zinc/97/68/31/1026976831.db2.gz QXDXZUNUQWTMGU-UHFFFAOYSA-N 1 2 346.496 3.732 20 0 EHADLO CCC1(CO)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301885104 1026978201 /nfs/dbraw/zinc/97/82/01/1026978201.db2.gz JWLSYSDARNADEH-UHFFFAOYSA-N 1 2 349.272 3.986 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1coc(-c2ccccc2)n1 ZINC000301902664 1026987225 /nfs/dbraw/zinc/98/72/25/1026987225.db2.gz WQXAFWTZJRHRGU-UHFFFAOYSA-N 1 2 348.410 3.848 20 0 EHADLO Cc1c[nH+]c(CN2CCc3c(Br)cccc3[C@H]2C)n1C ZINC000342768027 1026990979 /nfs/dbraw/zinc/99/09/79/1026990979.db2.gz IAZIXTZRCORAGS-GFCCVEGCSA-N 1 2 334.261 3.610 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)C1CCC1 ZINC000452784255 1027007033 /nfs/dbraw/zinc/00/70/33/1027007033.db2.gz JGNFJYCHKGXRRJ-UHFFFAOYSA-N 1 2 335.398 3.565 20 0 EHADLO CSc1cc(Br)ccc1C[NH2+]Cc1cc(C)on1 ZINC000531531946 1027011517 /nfs/dbraw/zinc/01/15/17/1027011517.db2.gz GHMMVANOEGJCEW-UHFFFAOYSA-N 1 2 327.247 3.757 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301976571 1027012076 /nfs/dbraw/zinc/01/20/76/1027012076.db2.gz CNVNWEKBYDZVEE-QAPCUYQASA-N 1 2 344.846 3.894 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301976571 1027012079 /nfs/dbraw/zinc/01/20/79/1027012079.db2.gz CNVNWEKBYDZVEE-QAPCUYQASA-N 1 2 344.846 3.894 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)C[C@@H]2CC2(C)C)c1)[NH+]1CCOCC1 ZINC000666005901 1027017314 /nfs/dbraw/zinc/01/73/14/1027017314.db2.gz ZMBBDVLZUJDKCV-WBVHZDCISA-N 1 2 345.487 3.590 20 0 EHADLO Cc1nnc(CNc2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)o1 ZINC000665692685 1027045491 /nfs/dbraw/zinc/04/54/91/1027045491.db2.gz DPHUVLDUBUECPG-UHFFFAOYSA-N 1 2 338.289 3.745 20 0 EHADLO Cc1nc(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000302099284 1027052046 /nfs/dbraw/zinc/05/20/46/1027052046.db2.gz PIPKBCWYUFZELG-KPZWWZAWSA-N 1 2 329.419 3.727 20 0 EHADLO Cc1nc(N[C@@H](C)C[C@H](O)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000302099286 1027052283 /nfs/dbraw/zinc/05/22/83/1027052283.db2.gz PIPKBCWYUFZELG-SGTLLEGYSA-N 1 2 329.419 3.727 20 0 EHADLO COc1ccc(Cl)cc1N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000074607173 1027055368 /nfs/dbraw/zinc/05/53/68/1027055368.db2.gz LWCQVLQULHPBHH-UHFFFAOYSA-N 1 2 343.814 3.510 20 0 EHADLO Cc1nc(NC[C@@](C)(O)c2cccc(Cl)c2)c2c([nH+]1)CCCC2 ZINC000302178633 1027081224 /nfs/dbraw/zinc/08/12/24/1027081224.db2.gz PPONBGSTKRGMTO-GOSISDBHSA-N 1 2 331.847 3.637 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2ncc(C)n2C)cc1OC ZINC000342795366 1027118135 /nfs/dbraw/zinc/11/81/35/1027118135.db2.gz GBVYXKRBINDEKY-UHFFFAOYSA-N 1 2 345.487 3.938 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2ncc(C)n2C)cc1OC ZINC000342795366 1027118151 /nfs/dbraw/zinc/11/81/51/1027118151.db2.gz GBVYXKRBINDEKY-UHFFFAOYSA-N 1 2 345.487 3.938 20 0 EHADLO CCCOc1ccc(CN(CCC)Cc2[nH+]cc(C)n2C)cc1OC ZINC000342795366 1027118159 /nfs/dbraw/zinc/11/81/59/1027118159.db2.gz GBVYXKRBINDEKY-UHFFFAOYSA-N 1 2 345.487 3.938 20 0 EHADLO CC(C)C[C@H]1OCCC[C@@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302388834 1027138702 /nfs/dbraw/zinc/13/87/02/1027138702.db2.gz FNVSCOGEIYGGDU-LSDHHAIUSA-N 1 2 331.464 3.587 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000126031474 1027153756 /nfs/dbraw/zinc/15/37/56/1027153756.db2.gz PYDISXNYJKLOLJ-SFHVURJKSA-N 1 2 331.419 3.675 20 0 EHADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556208 1027170808 /nfs/dbraw/zinc/17/08/08/1027170808.db2.gz QRCIFYOYJOFJBK-OAHLLOKOSA-N 1 2 348.450 3.790 20 0 EHADLO COc1cccc2c(NCCc3nn(C)c4ccccc34)cc[nH+]c12 ZINC000302510161 1027172342 /nfs/dbraw/zinc/17/23/42/1027172342.db2.gz FWZXFJVJLPBFLX-UHFFFAOYSA-N 1 2 332.407 3.785 20 0 EHADLO Cc1ccc(-c2cnc(C[NH+]3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000075594598 1027177696 /nfs/dbraw/zinc/17/76/96/1027177696.db2.gz QJCIUOMRLPYLIC-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c(C)[nH+]1 ZINC000419778345 1027178254 /nfs/dbraw/zinc/17/82/54/1027178254.db2.gz HHRHYACDTJYKDX-HZPDHXFCSA-N 1 2 345.487 3.619 20 0 EHADLO CCc1sc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C ZINC000501294961 1027181354 /nfs/dbraw/zinc/18/13/54/1027181354.db2.gz OBXPSGZHLJCRCG-UHFFFAOYSA-N 1 2 343.496 3.934 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126315047 1027188123 /nfs/dbraw/zinc/18/81/23/1027188123.db2.gz ADCJHOJAPCXZTI-YOEHRIQHSA-N 1 2 345.874 3.924 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000126337737 1027190627 /nfs/dbraw/zinc/19/06/27/1027190627.db2.gz NJVPEKYTXGUAPW-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO CC(C)(C)C1CC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000454221524 1027241575 /nfs/dbraw/zinc/24/15/75/1027241575.db2.gz MOYVJVUPMJQOFX-UHFFFAOYSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)n1 ZINC000531727542 1027247258 /nfs/dbraw/zinc/24/72/58/1027247258.db2.gz MIMLOJXPJRQDGH-INIZCTEOSA-N 1 2 337.452 3.641 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)n1 ZINC000531727542 1027247290 /nfs/dbraw/zinc/24/72/90/1027247290.db2.gz MIMLOJXPJRQDGH-INIZCTEOSA-N 1 2 337.452 3.641 20 0 EHADLO O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000076340687 1027275325 /nfs/dbraw/zinc/27/53/25/1027275325.db2.gz UDCRLKCTIQGVEM-UHFFFAOYSA-N 1 2 349.419 3.635 20 0 EHADLO Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000045310529 1027292312 /nfs/dbraw/zinc/29/23/12/1027292312.db2.gz OSGPCZIPMZEZOR-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO Brc1cccc2c1OCCC[C@H]2[NH2+]Cc1cscn1 ZINC000127325561 1027297378 /nfs/dbraw/zinc/29/73/78/1027297378.db2.gz SWTMXSPGMXKFBJ-CYBMUJFWSA-N 1 2 339.258 3.909 20 0 EHADLO Brc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cscn1 ZINC000127325416 1027297603 /nfs/dbraw/zinc/29/76/03/1027297603.db2.gz SWTMXSPGMXKFBJ-ZDUSSCGKSA-N 1 2 339.258 3.909 20 0 EHADLO O=S(=O)(c1cccs1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127368324 1027301963 /nfs/dbraw/zinc/30/19/63/1027301963.db2.gz XDPKFTWACCXMON-UHFFFAOYSA-N 1 2 330.434 3.539 20 0 EHADLO CC[C@@H](C)Oc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC000302831293 1027314358 /nfs/dbraw/zinc/31/43/58/1027314358.db2.gz QRBPERVTGYSUFU-OAHLLOKOSA-N 1 2 341.459 3.651 20 0 EHADLO CC[C@@H](C)Oc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC000302831293 1027314371 /nfs/dbraw/zinc/31/43/71/1027314371.db2.gz QRBPERVTGYSUFU-OAHLLOKOSA-N 1 2 341.459 3.651 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)c2ncnn21 ZINC000657568602 1027330336 /nfs/dbraw/zinc/33/03/36/1027330336.db2.gz HNNJACVUWJUDJP-RCOVLWMOSA-N 1 2 347.669 3.551 20 0 EHADLO CSCc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302860496 1027331687 /nfs/dbraw/zinc/33/16/87/1027331687.db2.gz UQNUMUKGYWUPMQ-UHFFFAOYSA-N 1 2 346.525 3.505 20 0 EHADLO CSCc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302860496 1027331706 /nfs/dbraw/zinc/33/17/06/1027331706.db2.gz UQNUMUKGYWUPMQ-UHFFFAOYSA-N 1 2 346.525 3.505 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1C ZINC000302873304 1027337974 /nfs/dbraw/zinc/33/79/74/1027337974.db2.gz CPMKKYUVFIMPEI-IAGOWNOFSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1C ZINC000302873304 1027337989 /nfs/dbraw/zinc/33/79/89/1027337989.db2.gz CPMKKYUVFIMPEI-IAGOWNOFSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)n1 ZINC000273253926 1027338160 /nfs/dbraw/zinc/33/81/60/1027338160.db2.gz HPONOYKOXJSTFV-ABAIWWIYSA-N 1 2 340.452 3.640 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302874517 1027338969 /nfs/dbraw/zinc/33/89/69/1027338969.db2.gz DJKHYWZBERSOJO-GOSISDBHSA-N 1 2 340.471 3.821 20 0 EHADLO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)n1 ZINC000273253930 1027338987 /nfs/dbraw/zinc/33/89/87/1027338987.db2.gz HPONOYKOXJSTFV-NHYWBVRUSA-N 1 2 340.452 3.640 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302874517 1027338985 /nfs/dbraw/zinc/33/89/85/1027338985.db2.gz DJKHYWZBERSOJO-GOSISDBHSA-N 1 2 340.471 3.821 20 0 EHADLO Clc1cccc2c1CC[C@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302901167 1027352640 /nfs/dbraw/zinc/35/26/40/1027352640.db2.gz QPSROWPPCJTARO-OAHLLOKOSA-N 1 2 346.887 3.783 20 0 EHADLO Clc1cccc2c1CC[C@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302901167 1027352654 /nfs/dbraw/zinc/35/26/54/1027352654.db2.gz QPSROWPPCJTARO-OAHLLOKOSA-N 1 2 346.887 3.783 20 0 EHADLO CSCCCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000273280809 1027354339 /nfs/dbraw/zinc/35/43/39/1027354339.db2.gz DHXQSJBUQRNYJS-UHFFFAOYSA-N 1 2 331.485 3.585 20 0 EHADLO CCOc1ncccc1C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453094895 1027358411 /nfs/dbraw/zinc/35/84/11/1027358411.db2.gz UQNFCJKLPZGGKS-OAHLLOKOSA-N 1 2 336.439 3.732 20 0 EHADLO Clc1ccc([C@@H]2C[C@H]2Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302917868 1027362445 /nfs/dbraw/zinc/36/24/45/1027362445.db2.gz XJNHDJDCFGRPHX-LSDHHAIUSA-N 1 2 346.887 3.651 20 0 EHADLO Clc1ccc([C@@H]2C[C@H]2Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302917868 1027362464 /nfs/dbraw/zinc/36/24/64/1027362464.db2.gz XJNHDJDCFGRPHX-LSDHHAIUSA-N 1 2 346.887 3.651 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657571290 1027363515 /nfs/dbraw/zinc/36/35/15/1027363515.db2.gz XKDFMZWMEAESEU-WBMJQRKESA-N 1 2 326.375 3.781 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657571289 1027365171 /nfs/dbraw/zinc/36/51/71/1027365171.db2.gz XKDFMZWMEAESEU-MLGOLLRUSA-N 1 2 326.375 3.781 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@@H](C)[S@]1=O ZINC000414445059 1027382322 /nfs/dbraw/zinc/38/23/22/1027382322.db2.gz VTLUJNNITHJLOB-MZOGBMEOSA-N 1 2 333.419 3.745 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@@H](C)[S@]1=O ZINC000414445059 1027382338 /nfs/dbraw/zinc/38/23/38/1027382338.db2.gz VTLUJNNITHJLOB-MZOGBMEOSA-N 1 2 333.419 3.745 20 0 EHADLO Clc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000273384685 1027405578 /nfs/dbraw/zinc/40/55/78/1027405578.db2.gz UAEWHUUMTNZFTD-UHFFFAOYSA-N 1 2 338.842 3.737 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496415 1027422200 /nfs/dbraw/zinc/42/22/00/1027422200.db2.gz PILFOLJXWJHCIO-CXAGYDPISA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496415 1027422215 /nfs/dbraw/zinc/42/22/15/1027422215.db2.gz PILFOLJXWJHCIO-CXAGYDPISA-N 1 2 346.833 3.931 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453133798 1027438087 /nfs/dbraw/zinc/43/80/87/1027438087.db2.gz RIPFYTVIABIVCA-ZDUSSCGKSA-N 1 2 341.484 3.913 20 0 EHADLO C[C@@H](c1ccccn1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000128495733 1027444385 /nfs/dbraw/zinc/44/43/85/1027444385.db2.gz ORQPIVHDAYTIEF-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000273509869 1027465176 /nfs/dbraw/zinc/46/51/76/1027465176.db2.gz NPGRWDMUEUQSDO-HIFRSBDPSA-N 1 2 343.402 3.591 20 0 EHADLO Cc1ccc2cccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2n1 ZINC000078115415 1027530630 /nfs/dbraw/zinc/53/06/30/1027530630.db2.gz JAZAFANDBWHHBP-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CCC(CC)N(CCOC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666681924 1027581912 /nfs/dbraw/zinc/58/19/12/1027581912.db2.gz HWPICZKABRHITI-GOSISDBHSA-N 1 2 343.471 3.595 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc([C@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505811 1027608179 /nfs/dbraw/zinc/60/81/79/1027608179.db2.gz QEOVRXOZXKEZOD-ZIAGYGMSSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc([C@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505811 1027608187 /nfs/dbraw/zinc/60/81/87/1027608187.db2.gz QEOVRXOZXKEZOD-ZIAGYGMSSA-N 1 2 339.798 3.564 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2n1 ZINC000129937255 1027620680 /nfs/dbraw/zinc/62/06/80/1027620680.db2.gz JMSCVCZOLNIQQY-RDTXWAMCSA-N 1 2 349.438 3.855 20 0 EHADLO CC[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000666684933 1027628131 /nfs/dbraw/zinc/62/81/31/1027628131.db2.gz XCLSZVJTXURINM-OTWHNJEPSA-N 1 2 338.455 3.600 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)CCOCC(C)C)c1 ZINC000501902660 1027628988 /nfs/dbraw/zinc/62/89/88/1027628988.db2.gz ZZQFFQHDGFWSPX-UHFFFAOYSA-N 1 2 330.266 3.562 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)CCOCC(C)C)c1 ZINC000501902660 1027628995 /nfs/dbraw/zinc/62/89/95/1027628995.db2.gz ZZQFFQHDGFWSPX-UHFFFAOYSA-N 1 2 330.266 3.562 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)cc(C)[nH+]1 ZINC000422213075 1027651382 /nfs/dbraw/zinc/65/13/82/1027651382.db2.gz RKWFAISFHSISTO-UHFFFAOYSA-N 1 2 339.439 3.526 20 0 EHADLO Cc1cc(CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc(C)[nH+]1 ZINC000422217679 1027653953 /nfs/dbraw/zinc/65/39/53/1027653953.db2.gz XAKRBGJXYSUGIX-GZBFAFLISA-N 1 2 343.393 3.959 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)cs1 ZINC000130449949 1027669904 /nfs/dbraw/zinc/66/99/04/1027669904.db2.gz TXZTZOFVXWIVDS-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CC1(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000232917997 1027674120 /nfs/dbraw/zinc/67/41/20/1027674120.db2.gz DRVRBHVOCSBNHB-UHFFFAOYSA-N 1 2 349.066 3.807 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000422264267 1027675484 /nfs/dbraw/zinc/67/54/84/1027675484.db2.gz QDLPBYIFUNMPHY-HNNXBMFYSA-N 1 2 348.397 3.695 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000422264267 1027675494 /nfs/dbraw/zinc/67/54/94/1027675494.db2.gz QDLPBYIFUNMPHY-HNNXBMFYSA-N 1 2 348.397 3.695 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000342856615 1027681371 /nfs/dbraw/zinc/68/13/71/1027681371.db2.gz GCHDSYYSORURQQ-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccnc(OC)c1 ZINC000342856615 1027681379 /nfs/dbraw/zinc/68/13/79/1027681379.db2.gz GCHDSYYSORURQQ-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO Nc1cc(CNc2ccc3c(c2)[C@@H](c2ccccc2)CC(=O)N3)cc[nH+]1 ZINC001167616796 1027695313 /nfs/dbraw/zinc/69/53/13/1027695313.db2.gz QCZNLWKCEBBWOK-QGZVFWFLSA-N 1 2 344.418 3.750 20 0 EHADLO CCOc1cccc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)n1 ZINC000130919995 1027716636 /nfs/dbraw/zinc/71/66/36/1027716636.db2.gz DXKQSOWFDPPFFE-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CCOc1cccc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)n1 ZINC000130919995 1027716653 /nfs/dbraw/zinc/71/66/53/1027716653.db2.gz DXKQSOWFDPPFFE-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CCCOc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)c1 ZINC000420828782 1027762470 /nfs/dbraw/zinc/76/24/70/1027762470.db2.gz FATGXPKZOFSYJJ-UHFFFAOYSA-N 1 2 341.455 3.795 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000131357603 1027766469 /nfs/dbraw/zinc/76/64/69/1027766469.db2.gz GRZUUGOWYNXMSW-HNNXBMFYSA-N 1 2 344.528 3.989 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000131357603 1027766483 /nfs/dbraw/zinc/76/64/83/1027766483.db2.gz GRZUUGOWYNXMSW-HNNXBMFYSA-N 1 2 344.528 3.989 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000342871250 1027776984 /nfs/dbraw/zinc/77/69/84/1027776984.db2.gz DJFWHHBQTDXUIM-AUUYWEPGSA-N 1 2 337.398 3.899 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000342871253 1027777055 /nfs/dbraw/zinc/77/70/55/1027777055.db2.gz DJFWHHBQTDXUIM-LIRRHRJNSA-N 1 2 337.398 3.899 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)s1 ZINC000338292184 1027787512 /nfs/dbraw/zinc/78/75/12/1027787512.db2.gz QRLODVMGCNYFPP-LLVKDONJSA-N 1 2 335.498 3.533 20 0 EHADLO COCCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H](C)c1ccccc1 ZINC000420852782 1027795623 /nfs/dbraw/zinc/79/56/23/1027795623.db2.gz SLKHIXDHSVZPFG-KRWDZBQOSA-N 1 2 341.455 3.618 20 0 EHADLO COc1ccc(Cl)cc1CN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420854900 1027796945 /nfs/dbraw/zinc/79/69/45/1027796945.db2.gz VMCGDFVUWKYAEE-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc(C)[nH+]1 ZINC000420864746 1027823397 /nfs/dbraw/zinc/82/33/97/1027823397.db2.gz ULPWMBKCZLIHOD-CQSZACIVSA-N 1 2 349.356 3.602 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)n1 ZINC000459348888 1027827109 /nfs/dbraw/zinc/82/71/09/1027827109.db2.gz XGORGIOMFYMFPP-YOEHRIQHSA-N 1 2 343.427 3.528 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)n1 ZINC000459348888 1027827127 /nfs/dbraw/zinc/82/71/27/1027827127.db2.gz XGORGIOMFYMFPP-YOEHRIQHSA-N 1 2 343.427 3.528 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000347337843 1027827637 /nfs/dbraw/zinc/82/76/37/1027827637.db2.gz HAHXTFLZJIENMG-GOSISDBHSA-N 1 2 337.423 3.510 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000347337843 1027827651 /nfs/dbraw/zinc/82/76/51/1027827651.db2.gz HAHXTFLZJIENMG-GOSISDBHSA-N 1 2 337.423 3.510 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@@H+]2CCO[C@H](C3CCC3)C2)s1 ZINC000414476768 1027829050 /nfs/dbraw/zinc/82/90/50/1027829050.db2.gz YLXUCLWYFIYJDL-KRWDZBQOSA-N 1 2 332.444 3.950 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@H+]2CCO[C@H](C3CCC3)C2)s1 ZINC000414476768 1027829075 /nfs/dbraw/zinc/82/90/75/1027829075.db2.gz YLXUCLWYFIYJDL-KRWDZBQOSA-N 1 2 332.444 3.950 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000131857573 1027831388 /nfs/dbraw/zinc/83/13/88/1027831388.db2.gz ITSDURWABNUOGP-QGZVFWFLSA-N 1 2 331.485 3.780 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000131857573 1027831401 /nfs/dbraw/zinc/83/14/01/1027831401.db2.gz ITSDURWABNUOGP-QGZVFWFLSA-N 1 2 331.485 3.780 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1cc(F)ccc1F ZINC000305236758 1027835367 /nfs/dbraw/zinc/83/53/67/1027835367.db2.gz NYQQFRCQECOKMS-SFHVURJKSA-N 1 2 343.377 3.520 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1cc(F)ccc1F ZINC000305236758 1027835382 /nfs/dbraw/zinc/83/53/82/1027835382.db2.gz NYQQFRCQECOKMS-SFHVURJKSA-N 1 2 343.377 3.520 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc(C)[nH+]1 ZINC000420919335 1027863866 /nfs/dbraw/zinc/86/38/66/1027863866.db2.gz ROQYBMFCRAJXLQ-MRXNPFEDSA-N 1 2 345.830 3.675 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000132304270 1027910259 /nfs/dbraw/zinc/91/02/59/1027910259.db2.gz ACPDRSJCXGVWOQ-UHFFFAOYSA-N 1 2 347.434 3.687 20 0 EHADLO Cc1cc(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)c(C)c[nH+]1 ZINC000536618818 1027913630 /nfs/dbraw/zinc/91/36/30/1027913630.db2.gz YURGUYWJNZDMKP-IUPXNIOVSA-N 1 2 345.487 3.712 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132618745 1027946602 /nfs/dbraw/zinc/94/66/02/1027946602.db2.gz KAGQKUNQJKYSPA-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO Cn1cncc1C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000132717908 1027955710 /nfs/dbraw/zinc/95/57/10/1027955710.db2.gz SUBXVQALNQPQJT-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO Cn1cncc1C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000132717908 1027955724 /nfs/dbraw/zinc/95/57/24/1027955724.db2.gz SUBXVQALNQPQJT-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000536620885 1027961261 /nfs/dbraw/zinc/96/12/61/1027961261.db2.gz ABJHSMKIUJHMRP-INIZCTEOSA-N 1 2 347.422 3.504 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000533484713 1027975071 /nfs/dbraw/zinc/97/50/71/1027975071.db2.gz VNHCZISEHNEQNV-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000533484713 1027975083 /nfs/dbraw/zinc/97/50/83/1027975083.db2.gz VNHCZISEHNEQNV-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C)c1cnc(C)cn1)C2 ZINC000421032120 1027992372 /nfs/dbraw/zinc/99/23/72/1027992372.db2.gz DLCCQTUTRABTPI-CQSZACIVSA-N 1 2 327.428 3.528 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)c1cnc(C)cn1)C2 ZINC000421032120 1027992375 /nfs/dbraw/zinc/99/23/75/1027992375.db2.gz DLCCQTUTRABTPI-CQSZACIVSA-N 1 2 327.428 3.528 20 0 EHADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1c2ccccc2-c2ccccc21 ZINC000133121986 1027998991 /nfs/dbraw/zinc/99/89/91/1027998991.db2.gz IQVLPSIZGZGLQK-HNNXBMFYSA-N 1 2 343.430 3.674 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018910 1028004425 /nfs/dbraw/zinc/00/44/25/1028004425.db2.gz MVHYNYBAAYXEIG-DZGCQCFKSA-N 1 2 349.475 3.527 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018910 1028004445 /nfs/dbraw/zinc/00/44/45/1028004445.db2.gz MVHYNYBAAYXEIG-DZGCQCFKSA-N 1 2 349.475 3.527 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1F ZINC000657672858 1028021716 /nfs/dbraw/zinc/02/17/16/1028021716.db2.gz DJUJVFNIGRUBBQ-UHFFFAOYSA-N 1 2 332.272 3.677 20 0 EHADLO CCc1ccc(CN(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000548778322 1028146294 /nfs/dbraw/zinc/14/62/94/1028146294.db2.gz UGGXXOZVTFQXLX-UHFFFAOYSA-N 1 2 349.438 3.553 20 0 EHADLO CCC1(CC)CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000548778325 1028146640 /nfs/dbraw/zinc/14/66/40/1028146640.db2.gz VBGRSIYLKXRJFS-UHFFFAOYSA-N 1 2 341.459 3.761 20 0 EHADLO CCCCOc1cccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423059871 1028153336 /nfs/dbraw/zinc/15/33/36/1028153336.db2.gz NAGVMQWKLHPCIH-KRWDZBQOSA-N 1 2 334.366 3.782 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000135097347 1028169210 /nfs/dbraw/zinc/16/92/10/1028169210.db2.gz MZYAWGZWKNPBPO-UHFFFAOYSA-N 1 2 345.349 3.655 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000135097347 1028169225 /nfs/dbraw/zinc/16/92/25/1028169225.db2.gz MZYAWGZWKNPBPO-UHFFFAOYSA-N 1 2 345.349 3.655 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000503861492 1028174097 /nfs/dbraw/zinc/17/40/97/1028174097.db2.gz VTDZDFDEQHGJMP-WBVHZDCISA-N 1 2 345.512 3.961 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135211892 1028178095 /nfs/dbraw/zinc/17/80/95/1028178095.db2.gz MIUCWJMDJIGVIA-NSHDSACASA-N 1 2 345.349 3.913 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135211892 1028178103 /nfs/dbraw/zinc/17/81/03/1028178103.db2.gz MIUCWJMDJIGVIA-NSHDSACASA-N 1 2 345.349 3.913 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708676 1028185373 /nfs/dbraw/zinc/18/53/73/1028185373.db2.gz SAEPJCWJAFUMPO-CYBMUJFWSA-N 1 2 348.393 3.741 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708676 1028185380 /nfs/dbraw/zinc/18/53/80/1028185380.db2.gz SAEPJCWJAFUMPO-CYBMUJFWSA-N 1 2 348.393 3.741 20 0 EHADLO CCN(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000502394514 1028189146 /nfs/dbraw/zinc/18/91/46/1028189146.db2.gz SRCKZNPNNMBPRP-UHFFFAOYSA-N 1 2 349.906 3.672 20 0 EHADLO CCN(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000502394514 1028189151 /nfs/dbraw/zinc/18/91/51/1028189151.db2.gz SRCKZNPNNMBPRP-UHFFFAOYSA-N 1 2 349.906 3.672 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711047 1028189287 /nfs/dbraw/zinc/18/92/87/1028189287.db2.gz WKOWBRINVFTBIP-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711047 1028189295 /nfs/dbraw/zinc/18/92/95/1028189295.db2.gz WKOWBRINVFTBIP-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710450 1028190019 /nfs/dbraw/zinc/19/00/19/1028190019.db2.gz VPOURFVBUSXSJO-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710450 1028190029 /nfs/dbraw/zinc/19/00/29/1028190029.db2.gz VPOURFVBUSXSJO-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000135606103 1028208266 /nfs/dbraw/zinc/20/82/66/1028208266.db2.gz GMDVVCIGSJCROU-IBGZPJMESA-N 1 2 348.450 3.521 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000135606103 1028208284 /nfs/dbraw/zinc/20/82/84/1028208284.db2.gz GMDVVCIGSJCROU-IBGZPJMESA-N 1 2 348.450 3.521 20 0 EHADLO COc1ccc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1C ZINC000455476913 1028209540 /nfs/dbraw/zinc/20/95/40/1028209540.db2.gz LWFKFXSXPJGDQC-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)c(C)[nH+]1 ZINC000455479340 1028215233 /nfs/dbraw/zinc/21/52/33/1028215233.db2.gz GJJOOBDCZOUHLH-INIZCTEOSA-N 1 2 347.459 3.592 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000523376259 1028222391 /nfs/dbraw/zinc/22/23/91/1028222391.db2.gz YKCLXPONNRSJBW-MRXNPFEDSA-N 1 2 339.464 3.783 20 0 EHADLO CCSc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccn1 ZINC000455493304 1028224570 /nfs/dbraw/zinc/22/45/70/1028224570.db2.gz CIGZYZIGZMOWTI-UHFFFAOYSA-N 1 2 330.457 3.836 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(c3ccccc3F)C2)c(C)[nH+]1 ZINC000455494336 1028225867 /nfs/dbraw/zinc/22/58/67/1028225867.db2.gz DSQQFKSJAVZNSW-HNNXBMFYSA-N 1 2 342.418 3.546 20 0 EHADLO CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455494702 1028226626 /nfs/dbraw/zinc/22/66/26/1028226626.db2.gz FBSVZIOPZGFFNW-SFHVURJKSA-N 1 2 341.455 3.812 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000444743706 1028229724 /nfs/dbraw/zinc/22/97/24/1028229724.db2.gz JIBUDKNIAPMHSH-OAHLLOKOSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000444743706 1028229741 /nfs/dbraw/zinc/22/97/41/1028229741.db2.gz JIBUDKNIAPMHSH-OAHLLOKOSA-N 1 2 346.421 3.752 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000121096249 1028252581 /nfs/dbraw/zinc/25/25/81/1028252581.db2.gz ARPXFGWUIAFCCE-OAHLLOKOSA-N 1 2 344.528 3.714 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000503974329 1028285803 /nfs/dbraw/zinc/28/58/03/1028285803.db2.gz MLESKDLREMVQGV-LLVKDONJSA-N 1 2 340.311 3.946 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nn1C ZINC000421335809 1028302639 /nfs/dbraw/zinc/30/26/39/1028302639.db2.gz UPRWMLXQQQHDPS-NSHDSACASA-N 1 2 346.862 3.581 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287751 1028303906 /nfs/dbraw/zinc/30/39/06/1028303906.db2.gz XPBLXISMWMXXEM-GOSISDBHSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195633358 1028303854 /nfs/dbraw/zinc/30/38/54/1028303854.db2.gz WDHVHLOHPDLLDN-QGZVFWFLSA-N 1 2 349.434 3.686 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455532194 1028307849 /nfs/dbraw/zinc/30/78/49/1028307849.db2.gz SWGBUOSOFHGSAR-MRXNPFEDSA-N 1 2 347.846 3.858 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681203 1028307905 /nfs/dbraw/zinc/30/79/05/1028307905.db2.gz WUZYFNQOPFINOU-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681203 1028307925 /nfs/dbraw/zinc/30/79/25/1028307925.db2.gz WUZYFNQOPFINOU-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)c[nH+]1 ZINC000455534732 1028310064 /nfs/dbraw/zinc/31/00/64/1028310064.db2.gz ADRCMFLHXSQJNC-GOSISDBHSA-N 1 2 327.403 3.884 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccc(C(F)(F)F)cn2)c1C ZINC000195737335 1028311118 /nfs/dbraw/zinc/31/11/18/1028311118.db2.gz NXCIEGHBFJCEEC-UHFFFAOYSA-N 1 2 325.334 3.757 20 0 EHADLO COc1cccc(C2(CNC(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC000455535456 1028313969 /nfs/dbraw/zinc/31/39/69/1028313969.db2.gz VGNQCZHUFAMLQU-UHFFFAOYSA-N 1 2 339.439 3.869 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2c(F)cccc2Cl)c[nH+]1 ZINC000455537747 1028315128 /nfs/dbraw/zinc/31/51/28/1028315128.db2.gz COHDRHROKCLDHS-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)OCO2 ZINC000536629766 1028322382 /nfs/dbraw/zinc/32/23/82/1028322382.db2.gz YIRWXTICDFEFLJ-CQSZACIVSA-N 1 2 348.349 3.749 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccn1)OCO2 ZINC000536629766 1028322402 /nfs/dbraw/zinc/32/24/02/1028322402.db2.gz YIRWXTICDFEFLJ-CQSZACIVSA-N 1 2 348.349 3.749 20 0 EHADLO COc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)c(OC)c1 ZINC000455541849 1028326107 /nfs/dbraw/zinc/32/61/07/1028326107.db2.gz ZJVUYIBJHMMBAY-UHFFFAOYSA-N 1 2 329.400 3.976 20 0 EHADLO COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000536631626 1028348513 /nfs/dbraw/zinc/34/85/13/1028348513.db2.gz HMECMNILIVREHJ-UHFFFAOYSA-N 1 2 336.888 3.728 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067645742 1028372920 /nfs/dbraw/zinc/37/29/20/1028372920.db2.gz GJXOZCKAYHUHPO-AWEZNQCLSA-N 1 2 338.386 3.572 20 0 EHADLO c1ccc(N[C@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000153619239 1028379378 /nfs/dbraw/zinc/37/93/78/1028379378.db2.gz LLNDRRWNENDZKV-SFHVURJKSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(N[C@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000153619239 1028379396 /nfs/dbraw/zinc/37/93/96/1028379396.db2.gz LLNDRRWNENDZKV-SFHVURJKSA-N 1 2 337.471 3.548 20 0 EHADLO Cc1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)no1 ZINC000068786325 1028406203 /nfs/dbraw/zinc/40/62/03/1028406203.db2.gz MFWJREUOAZMGNB-UHFFFAOYSA-N 1 2 335.407 3.624 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079025245 1028418450 /nfs/dbraw/zinc/41/84/50/1028418450.db2.gz NUYCLVQLQCVCBD-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO C[C@@H](c1ccco1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000069103308 1028419111 /nfs/dbraw/zinc/41/91/11/1028419111.db2.gz VDELYKYGOQXIJP-HNNXBMFYSA-N 1 2 342.443 3.568 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc(COC)on3)oc21 ZINC000459379086 1028436586 /nfs/dbraw/zinc/43/65/86/1028436586.db2.gz OVOCYLZOJZFERP-GFCCVEGCSA-N 1 2 330.384 3.817 20 0 EHADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccccc2Cl)c1C ZINC000008172900 1028453705 /nfs/dbraw/zinc/45/37/05/1028453705.db2.gz NNSOWHSKGXLKNV-NSHDSACASA-N 1 2 348.830 3.605 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000193703948 1028458408 /nfs/dbraw/zinc/45/84/08/1028458408.db2.gz DYEYOBKYILWBLW-UHFFFAOYSA-N 1 2 342.386 3.771 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000193703948 1028458418 /nfs/dbraw/zinc/45/84/18/1028458418.db2.gz DYEYOBKYILWBLW-UHFFFAOYSA-N 1 2 342.386 3.771 20 0 EHADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000628186890 1028465828 /nfs/dbraw/zinc/46/58/28/1028465828.db2.gz ZCFVZPJHNWVNTP-JTQLQIEISA-N 1 2 330.379 3.573 20 0 EHADLO Cc1c[nH]c(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000628186890 1028465832 /nfs/dbraw/zinc/46/58/32/1028465832.db2.gz ZCFVZPJHNWVNTP-JTQLQIEISA-N 1 2 330.379 3.573 20 0 EHADLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1nc2ccccc2[nH]1 ZINC000455562791 1028473263 /nfs/dbraw/zinc/47/32/63/1028473263.db2.gz SMCGQNBUEMFBMN-HNNXBMFYSA-N 1 2 337.427 3.525 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000079116592 1028482068 /nfs/dbraw/zinc/48/20/68/1028482068.db2.gz RZRNTCQXDPFPQT-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(c1ccc(F)cc1F)C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC001137741003 1028500627 /nfs/dbraw/zinc/50/06/27/1028500627.db2.gz KTRKGGQIDSKKQD-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO CC[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H](O)C(F)(F)F ZINC000428389859 1028520706 /nfs/dbraw/zinc/52/07/06/1028520706.db2.gz AIZMISQVMONTDR-CQSZACIVSA-N 1 2 329.318 3.817 20 0 EHADLO CC[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H](O)C(F)(F)F ZINC000428389859 1028520722 /nfs/dbraw/zinc/52/07/22/1028520722.db2.gz AIZMISQVMONTDR-CQSZACIVSA-N 1 2 329.318 3.817 20 0 EHADLO CC(C)(C)CCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000511223331 1028521164 /nfs/dbraw/zinc/52/11/64/1028521164.db2.gz RAKUBCSDZSKCHB-UHFFFAOYSA-N 1 2 342.487 3.947 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000072862598 1028523758 /nfs/dbraw/zinc/52/37/58/1028523758.db2.gz VRYYRKUGPGSYBC-WCQYABFASA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000072862598 1028523762 /nfs/dbraw/zinc/52/37/62/1028523762.db2.gz VRYYRKUGPGSYBC-WCQYABFASA-N 1 2 342.892 3.503 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(F)c1 ZINC000137261082 1028535803 /nfs/dbraw/zinc/53/58/03/1028535803.db2.gz OVAQYAOUAJEQLI-UHFFFAOYSA-N 1 2 333.407 3.572 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(F)c1 ZINC000137261082 1028535821 /nfs/dbraw/zinc/53/58/21/1028535821.db2.gz OVAQYAOUAJEQLI-UHFFFAOYSA-N 1 2 333.407 3.572 20 0 EHADLO O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194759582 1028545290 /nfs/dbraw/zinc/54/52/90/1028545290.db2.gz SATNQBPARBWTTF-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421555296 1028555688 /nfs/dbraw/zinc/55/56/88/1028555688.db2.gz HXENNJLXSBHGFB-UHFFFAOYSA-N 1 2 335.407 3.521 20 0 EHADLO CSc1nc(C(C)C)nc(C)c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421558641 1028561018 /nfs/dbraw/zinc/56/10/18/1028561018.db2.gz NBIAIZNYZCIZHY-UHFFFAOYSA-N 1 2 344.484 3.572 20 0 EHADLO CCc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cnn1C(CC)CC ZINC000421574792 1028566886 /nfs/dbraw/zinc/56/68/86/1028566886.db2.gz HOZGCPBMCFLPBH-UHFFFAOYSA-N 1 2 328.460 3.748 20 0 EHADLO Cc1cc(CNC(=O)Cc2cccc(Br)c2C)cc(C)[nH+]1 ZINC000421574611 1028567041 /nfs/dbraw/zinc/56/70/41/1028567041.db2.gz HADIAESKACJEDW-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)NCc3cc(C)[nH+]c(C)c3)cs2)o1 ZINC000421573927 1028567160 /nfs/dbraw/zinc/56/71/60/1028567160.db2.gz CIYLZTFEZMKLNX-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO c1c[nH]c([C@H]([NH2+]CCOc2cccc3ccccc32)c2cccnc2)n1 ZINC000195007044 1028569909 /nfs/dbraw/zinc/56/99/09/1028569909.db2.gz SATWNSOBPXWXNO-HXUWFJFHSA-N 1 2 344.418 3.716 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1ccc(Cl)cc1 ZINC000195049332 1028572733 /nfs/dbraw/zinc/57/27/33/1028572733.db2.gz HGJQAJZZKHMSLR-CXAGYDPISA-N 1 2 342.830 3.605 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000897337275 1028589037 /nfs/dbraw/zinc/58/90/37/1028589037.db2.gz YLLGVRGBOVVUNT-UHFFFAOYSA-N 1 2 343.452 3.967 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC000343001331 1028597744 /nfs/dbraw/zinc/59/77/44/1028597744.db2.gz RCRKYYWUYHOTKF-AWEZNQCLSA-N 1 2 340.254 3.718 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(N3CCCC3)[nH+]cn2)cc1F ZINC000664365751 1028637821 /nfs/dbraw/zinc/63/78/21/1028637821.db2.gz OZVSMPSUBWMFFA-INIZCTEOSA-N 1 2 342.418 3.566 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(N3CCCC3)nc[nH+]2)cc1F ZINC000664365751 1028637827 /nfs/dbraw/zinc/63/78/27/1028637827.db2.gz OZVSMPSUBWMFFA-INIZCTEOSA-N 1 2 342.418 3.566 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423847488 1028649098 /nfs/dbraw/zinc/64/90/98/1028649098.db2.gz MNJQJFKFFNYAMJ-MRXNPFEDSA-N 1 2 345.512 3.534 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246886538 1028710171 /nfs/dbraw/zinc/71/01/71/1028710171.db2.gz LXYMTJLQEQVDSR-HZPDHXFCSA-N 1 2 338.542 3.897 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246886538 1028710186 /nfs/dbraw/zinc/71/01/86/1028710186.db2.gz LXYMTJLQEQVDSR-HZPDHXFCSA-N 1 2 338.542 3.897 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000245484371 1028735149 /nfs/dbraw/zinc/73/51/49/1028735149.db2.gz HHXRFSKHNROCDA-PBHICJAKSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000245484371 1028735158 /nfs/dbraw/zinc/73/51/58/1028735158.db2.gz HHXRFSKHNROCDA-PBHICJAKSA-N 1 2 337.427 3.677 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001211976369 1028735414 /nfs/dbraw/zinc/73/54/14/1028735414.db2.gz BZNRQFZIAZOEFO-UHFFFAOYSA-N 1 2 337.379 3.801 20 0 EHADLO CC(C)(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCC1 ZINC000454322650 1028738805 /nfs/dbraw/zinc/73/88/05/1028738805.db2.gz OJDHNUZRKFBSOK-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(c1cc(Cl)nc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728542216 1028739676 /nfs/dbraw/zinc/73/96/76/1028739676.db2.gz MYBIUXMGIMLXRG-CYBMUJFWSA-N 1 2 340.814 3.562 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000532727114 1028751006 /nfs/dbraw/zinc/75/10/06/1028751006.db2.gz NUHKJUJSKHIZOV-HXUWFJFHSA-N 1 2 348.450 3.739 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000532727114 1028751024 /nfs/dbraw/zinc/75/10/24/1028751024.db2.gz NUHKJUJSKHIZOV-HXUWFJFHSA-N 1 2 348.450 3.739 20 0 EHADLO O=C(c1cc(Cl)nc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728542218 1028751078 /nfs/dbraw/zinc/75/10/78/1028751078.db2.gz MYBIUXMGIMLXRG-ZDUSSCGKSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C)(C)C2)c(C)c1 ZINC000532753506 1028760691 /nfs/dbraw/zinc/76/06/91/1028760691.db2.gz VPOZFQVJZRLJKB-SFHVURJKSA-N 1 2 340.471 3.683 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC[C@H]1c1ccccc1 ZINC000569620770 1028770642 /nfs/dbraw/zinc/77/06/42/1028770642.db2.gz FMWBRZGHPRFXON-FRQCXROJSA-N 1 2 325.456 3.631 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccccc1 ZINC000569620770 1028770655 /nfs/dbraw/zinc/77/06/55/1028770655.db2.gz FMWBRZGHPRFXON-FRQCXROJSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247291930 1028771868 /nfs/dbraw/zinc/77/18/68/1028771868.db2.gz FCWQGBYMWGVFMF-BVPBIZIASA-N 1 2 343.858 3.750 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532752629 1028773360 /nfs/dbraw/zinc/77/33/60/1028773360.db2.gz NIFSRNVFHFHZFJ-BEFAXECRSA-N 1 2 342.487 3.929 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1SCCc2ccccc21 ZINC000079498739 1028773421 /nfs/dbraw/zinc/77/34/21/1028773421.db2.gz DLQIFCUVTZEESR-GOSISDBHSA-N 1 2 335.432 3.841 20 0 EHADLO CC[C@H](C)CN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532752634 1028773539 /nfs/dbraw/zinc/77/35/39/1028773539.db2.gz NIFSRNVFHFHZFJ-KXBFYZLASA-N 1 2 342.487 3.929 20 0 EHADLO O=C(N[C@@H]1CC=CCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247412654 1028787691 /nfs/dbraw/zinc/78/76/91/1028787691.db2.gz JPEZDIHFPMFEAB-NEWSRXKRSA-N 1 2 336.439 3.520 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000247494607 1028794988 /nfs/dbraw/zinc/79/49/88/1028794988.db2.gz ZVZXRULZURUWCG-UKRRQHHQSA-N 1 2 332.473 3.570 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000247494607 1028794998 /nfs/dbraw/zinc/79/49/98/1028794998.db2.gz ZVZXRULZURUWCG-UKRRQHHQSA-N 1 2 332.473 3.570 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nncn2-c2ccccc2F)c1C ZINC000524034256 1028797695 /nfs/dbraw/zinc/79/76/95/1028797695.db2.gz SKOUKUZHXVPDNE-UHFFFAOYSA-N 1 2 344.415 3.719 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000247666855 1028809463 /nfs/dbraw/zinc/80/94/63/1028809463.db2.gz QNCGNSDLYFKHFH-TZMCWYRMSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000247666855 1028809479 /nfs/dbraw/zinc/80/94/79/1028809479.db2.gz QNCGNSDLYFKHFH-TZMCWYRMSA-N 1 2 342.842 3.553 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)c1ccncc1Cl)c1nnc2ccccn21 ZINC000421824246 1028810766 /nfs/dbraw/zinc/81/07/66/1028810766.db2.gz HRWYMCSLKZLFHL-DOMZBBRYSA-N 1 2 329.835 3.970 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2scnc2C)cs1 ZINC000075887873 1028816428 /nfs/dbraw/zinc/81/64/28/1028816428.db2.gz MJNSVMPLQXHWJX-LBPRGKRZSA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2scnc2C)cs1 ZINC000075887873 1028816444 /nfs/dbraw/zinc/81/64/44/1028816444.db2.gz MJNSVMPLQXHWJX-LBPRGKRZSA-N 1 2 325.503 3.680 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCCCn1cc[nH+]c1 ZINC000532777295 1028820701 /nfs/dbraw/zinc/82/07/01/1028820701.db2.gz HNDUJMHENDXNAE-UHFFFAOYSA-N 1 2 330.819 3.536 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424141823 1028832555 /nfs/dbraw/zinc/83/25/55/1028832555.db2.gz XQCIPWWOIPJKHM-UHFFFAOYSA-N 1 2 337.366 3.589 20 0 EHADLO Cc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(C)n1 ZINC000421852382 1028844362 /nfs/dbraw/zinc/84/43/62/1028844362.db2.gz HIRKGKOYUDAWDD-LJQANCHMSA-N 1 2 340.858 3.965 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncnn2C(C)(C)C)C(C)C)c(F)c1 ZINC000421854579 1028846687 /nfs/dbraw/zinc/84/66/87/1028846687.db2.gz LTXMNYOJVQAZDE-KRWDZBQOSA-N 1 2 334.439 3.668 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000468283849 1028851007 /nfs/dbraw/zinc/85/10/07/1028851007.db2.gz AOYBPLXITDSPRX-UHFFFAOYSA-N 1 2 338.238 3.830 20 0 EHADLO COc1ccccc1[C@@H](NCc1c[nH+]cn1C(C)C)c1ccco1 ZINC000424159118 1028857516 /nfs/dbraw/zinc/85/75/16/1028857516.db2.gz UVEQNPDPYWLOJP-LJQANCHMSA-N 1 2 325.412 3.945 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000424159408 1028858220 /nfs/dbraw/zinc/85/82/20/1028858220.db2.gz SPJDTTPQNZEEHR-HOTGVXAUSA-N 1 2 328.460 3.690 20 0 EHADLO Brc1ccn2cc(C[N@@H+]3CCc4ccsc4C3)nc2c1 ZINC000356131934 1028876376 /nfs/dbraw/zinc/87/63/76/1028876376.db2.gz UUQHCMRXJKGNGS-UHFFFAOYSA-N 1 2 348.269 3.717 20 0 EHADLO Brc1ccn2cc(C[N@H+]3CCc4ccsc4C3)nc2c1 ZINC000356131934 1028876397 /nfs/dbraw/zinc/87/63/97/1028876397.db2.gz UUQHCMRXJKGNGS-UHFFFAOYSA-N 1 2 348.269 3.717 20 0 EHADLO COc1ccc(CC[C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454396044 1028877480 /nfs/dbraw/zinc/87/74/80/1028877480.db2.gz SXOQXEFOPNJXMA-HNNXBMFYSA-N 1 2 341.455 3.528 20 0 EHADLO Brc1csc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414557111 1028905091 /nfs/dbraw/zinc/90/50/91/1028905091.db2.gz PGXXHTXABPDBAS-UHFFFAOYSA-N 1 2 330.276 3.529 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000502957396 1028911096 /nfs/dbraw/zinc/91/10/96/1028911096.db2.gz RAEGKPJJSGPOLJ-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000502957396 1028911110 /nfs/dbraw/zinc/91/11/10/1028911110.db2.gz RAEGKPJJSGPOLJ-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123458952 1028920390 /nfs/dbraw/zinc/92/03/90/1028920390.db2.gz VNGUHBNXWYJVEO-DYVFJYSZSA-N 1 2 337.423 3.969 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000458396598 1028937644 /nfs/dbraw/zinc/93/76/44/1028937644.db2.gz WPOOSYBRRQLTJR-UHFFFAOYSA-N 1 2 329.831 3.840 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)[nH]1 ZINC000583137162 1028952166 /nfs/dbraw/zinc/95/21/66/1028952166.db2.gz FEDNTPDKOMVFAK-QWHCGFSZSA-N 1 2 328.460 3.883 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)[nH]1 ZINC000583137163 1028953757 /nfs/dbraw/zinc/95/37/57/1028953757.db2.gz FEDNTPDKOMVFAK-STQMWFEESA-N 1 2 328.460 3.883 20 0 EHADLO CCc1noc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126290979 1028957496 /nfs/dbraw/zinc/95/74/96/1028957496.db2.gz FKKHSIQWDLRRME-NSHDSACASA-N 1 2 342.226 3.592 20 0 EHADLO CCc1noc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126290979 1028957508 /nfs/dbraw/zinc/95/75/08/1028957508.db2.gz FKKHSIQWDLRRME-NSHDSACASA-N 1 2 342.226 3.592 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000123614819 1028971346 /nfs/dbraw/zinc/97/13/46/1028971346.db2.gz MHGOAEMTCTZAHN-QGZVFWFLSA-N 1 2 337.467 3.882 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(Cl)c2N(C)C)c[nH+]1 ZINC000454482121 1028973447 /nfs/dbraw/zinc/97/34/47/1028973447.db2.gz GJRIDBUCPQDOMF-UHFFFAOYSA-N 1 2 332.835 3.740 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Cc3occc32)s1 ZINC000424327497 1028976564 /nfs/dbraw/zinc/97/65/64/1028976564.db2.gz MQQNJGGJGFKPIN-ZYHUDNBSSA-N 1 2 334.441 3.887 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(OC)c1 ZINC000245688153 1029006351 /nfs/dbraw/zinc/00/63/51/1029006351.db2.gz AXVNTUOQDLQAKP-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(OC)c1 ZINC000245688153 1029006365 /nfs/dbraw/zinc/00/63/65/1029006365.db2.gz AXVNTUOQDLQAKP-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000249687424 1029015273 /nfs/dbraw/zinc/01/52/73/1029015273.db2.gz RJZNAPJEIXLNGC-WFASDCNBSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000249687424 1029015288 /nfs/dbraw/zinc/01/52/88/1029015288.db2.gz RJZNAPJEIXLNGC-WFASDCNBSA-N 1 2 349.525 3.697 20 0 EHADLO C[NH+](C)[C@H](c1nc(C2(c3ccc(F)cc3)CC2)no1)c1ccccc1 ZINC000424363081 1029015843 /nfs/dbraw/zinc/01/58/43/1029015843.db2.gz OFMZEXONINKVGE-KRWDZBQOSA-N 1 2 337.398 3.940 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000532944102 1029086182 /nfs/dbraw/zinc/08/61/82/1029086182.db2.gz SRIPVKCXUGSPSY-DNVCBOLYSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000532944102 1029086192 /nfs/dbraw/zinc/08/61/92/1029086192.db2.gz SRIPVKCXUGSPSY-DNVCBOLYSA-N 1 2 343.398 3.538 20 0 EHADLO CCCCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077679357 1029137162 /nfs/dbraw/zinc/13/71/62/1029137162.db2.gz AJWJAVWHIHROCY-IYBDPMFKSA-N 1 2 333.476 3.560 20 0 EHADLO CCCCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077679357 1029137173 /nfs/dbraw/zinc/13/71/73/1029137173.db2.gz AJWJAVWHIHROCY-IYBDPMFKSA-N 1 2 333.476 3.560 20 0 EHADLO COc1cccc2c1N(Cc1c[nH+]cn1Cc1ccccc1)CCC2 ZINC000445810528 1029145114 /nfs/dbraw/zinc/14/51/14/1029145114.db2.gz MBEREZYZGGALJU-UHFFFAOYSA-N 1 2 333.435 3.893 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000455578569 1029153019 /nfs/dbraw/zinc/15/30/19/1029153019.db2.gz POYLCTKWNBLQJB-MRXNPFEDSA-N 1 2 341.430 3.556 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000271806199 1029178585 /nfs/dbraw/zinc/17/85/85/1029178585.db2.gz QKVRZMBPSORKPP-KRWDZBQOSA-N 1 2 334.414 3.770 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000271807585 1029182722 /nfs/dbraw/zinc/18/27/22/1029182722.db2.gz BCPULSPOVGJRJH-GDBMZVCRSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000533016792 1029199596 /nfs/dbraw/zinc/19/95/96/1029199596.db2.gz FDRQWIUCIZEBSB-GFCCVEGCSA-N 1 2 342.842 3.696 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C12CCC2 ZINC000271877922 1029213131 /nfs/dbraw/zinc/21/31/31/1029213131.db2.gz OOFYSIJKNCKFHF-KURKYZTESA-N 1 2 343.446 3.586 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)c1ccccc1 ZINC000357268863 1029223149 /nfs/dbraw/zinc/22/31/49/1029223149.db2.gz MPEGKTVUBYBUOI-CQSZACIVSA-N 1 2 327.384 3.539 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)c1ccccc1 ZINC000357268863 1029223166 /nfs/dbraw/zinc/22/31/66/1029223166.db2.gz MPEGKTVUBYBUOI-CQSZACIVSA-N 1 2 327.384 3.539 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000271920258 1029230457 /nfs/dbraw/zinc/23/04/57/1029230457.db2.gz HLYVXHNWTZCAQG-UHFFFAOYSA-N 1 2 329.469 3.991 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000533058214 1029248979 /nfs/dbraw/zinc/24/89/79/1029248979.db2.gz GXLCZFUEOWWZFO-AWEZNQCLSA-N 1 2 331.334 3.501 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000533058214 1029248994 /nfs/dbraw/zinc/24/89/94/1029248994.db2.gz GXLCZFUEOWWZFO-AWEZNQCLSA-N 1 2 331.334 3.501 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC000445988002 1029296867 /nfs/dbraw/zinc/29/68/67/1029296867.db2.gz KLUIKQSGHLEDCQ-SNPRPXQTSA-N 1 2 329.362 3.883 20 0 EHADLO Cc1nnc(C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)[nH]1 ZINC000428427533 1029305583 /nfs/dbraw/zinc/30/55/83/1029305583.db2.gz QZGLVQPDCSJYPO-UHFFFAOYSA-N 1 2 349.276 3.564 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000245814229 1029332122 /nfs/dbraw/zinc/33/21/22/1029332122.db2.gz ZYXDWOHSKMDWRA-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000245814229 1029332145 /nfs/dbraw/zinc/33/21/45/1029332145.db2.gz ZYXDWOHSKMDWRA-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c[nH+]1 ZINC000455582588 1029365419 /nfs/dbraw/zinc/36/54/19/1029365419.db2.gz ZLMCRGPPDYOKML-JSGCOSHPSA-N 1 2 329.366 3.571 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000255513176 1029368978 /nfs/dbraw/zinc/36/89/78/1029368978.db2.gz WAIQPXUTCMFCFU-AJWDXOCTSA-N 1 2 349.478 3.780 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000454838781 1029369858 /nfs/dbraw/zinc/36/98/58/1029369858.db2.gz YMDBRYMNUARBCH-STQMWFEESA-N 1 2 332.835 3.514 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000272235015 1029375051 /nfs/dbraw/zinc/37/50/51/1029375051.db2.gz UREGIJQTLDTWEN-DJLVLGKWSA-N 1 2 342.483 3.670 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000272245238 1029376918 /nfs/dbraw/zinc/37/69/18/1029376918.db2.gz UIHRZWMGRSUUOE-UHFFFAOYSA-N 1 2 334.423 3.663 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@H](C)[C@@H](C)O1 ZINC000446071036 1029387773 /nfs/dbraw/zinc/38/77/73/1029387773.db2.gz LLXVRORJPVBSPL-JHJVBQTASA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@H](C)[C@@H](C)O1 ZINC000446071036 1029387779 /nfs/dbraw/zinc/38/77/79/1029387779.db2.gz LLXVRORJPVBSPL-JHJVBQTASA-N 1 2 349.272 3.995 20 0 EHADLO [NH3+][C@@H](c1nc(-c2ccccc2)no1)c1ccc(Br)cc1 ZINC001212091576 1029391174 /nfs/dbraw/zinc/39/11/74/1029391174.db2.gz ZWFLWAZFUZPBOI-CYBMUJFWSA-N 1 2 330.185 3.547 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ncc(Cl)n1C ZINC000272286055 1029398802 /nfs/dbraw/zinc/39/88/02/1029398802.db2.gz NKNIFAAQVMDCLW-SNVBAGLBSA-N 1 2 329.778 3.868 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272286055 1029398815 /nfs/dbraw/zinc/39/88/15/1029398815.db2.gz NKNIFAAQVMDCLW-SNVBAGLBSA-N 1 2 329.778 3.868 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)sc1C ZINC000257365147 1029413444 /nfs/dbraw/zinc/41/34/44/1029413444.db2.gz GBXJXPIDZLMJJE-RBOXIYTFSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)sc1C ZINC000257365147 1029413453 /nfs/dbraw/zinc/41/34/53/1029413453.db2.gz GBXJXPIDZLMJJE-RBOXIYTFSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cn(-c3ccccc3)nc2C(C)C)c[nH+]1 ZINC000424864585 1029420527 /nfs/dbraw/zinc/42/05/27/1029420527.db2.gz LEVNZIGJQJMGMQ-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO CCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533168424 1029423966 /nfs/dbraw/zinc/42/39/66/1029423966.db2.gz WUAKWAXIYMBASK-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533168424 1029423970 /nfs/dbraw/zinc/42/39/70/1029423970.db2.gz WUAKWAXIYMBASK-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000272360773 1029432862 /nfs/dbraw/zinc/43/28/62/1029432862.db2.gz BJAODSWCHOHAAR-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000272360773 1029432872 /nfs/dbraw/zinc/43/28/72/1029432872.db2.gz BJAODSWCHOHAAR-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)CC(F)(F)F)Cc1ccccc1Cl ZINC000505280340 1029435219 /nfs/dbraw/zinc/43/52/19/1029435219.db2.gz JMUOIDUYURRSKH-LLVKDONJSA-N 1 2 336.785 3.619 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)CC(F)(F)F)Cc1ccccc1Cl ZINC000505280340 1029435225 /nfs/dbraw/zinc/43/52/25/1029435225.db2.gz JMUOIDUYURRSKH-LLVKDONJSA-N 1 2 336.785 3.619 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000272380851 1029439076 /nfs/dbraw/zinc/43/90/76/1029439076.db2.gz YJPIRXPZYCAUKO-ZDUSSCGKSA-N 1 2 330.432 3.680 20 0 EHADLO COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000261485030 1029444940 /nfs/dbraw/zinc/44/49/40/1029444940.db2.gz PYEJJYNXLVXABF-INIZCTEOSA-N 1 2 349.434 3.550 20 0 EHADLO O=C(Nc1cccc2ncccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044442352 1029448270 /nfs/dbraw/zinc/44/82/70/1029448270.db2.gz ICABBSQFEVLURP-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](CCOC)c1ccco1)c1ccccc1 ZINC000272477750 1029474022 /nfs/dbraw/zinc/47/40/22/1029474022.db2.gz QIZGKDRRCZSGCZ-HKUYNNGSSA-N 1 2 344.455 3.557 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC1CC1 ZINC000524736168 1029474910 /nfs/dbraw/zinc/47/49/10/1029474910.db2.gz OGPNOBYBODUKFW-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO O=C(Nc1cc(Cl)ccc1OC(F)F)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425051884 1029510382 /nfs/dbraw/zinc/51/03/82/1029510382.db2.gz UJPQECSECOWSGB-SECBINFHSA-N 1 2 341.745 3.723 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@@H+]2CCC[C@@H]2C2CC2)C1=O ZINC000728560206 1029518604 /nfs/dbraw/zinc/51/86/04/1029518604.db2.gz OLSNMEYQKZDPHN-LJQANCHMSA-N 1 2 346.430 3.715 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@H+]2CCC[C@@H]2C2CC2)C1=O ZINC000728560206 1029518612 /nfs/dbraw/zinc/51/86/12/1029518612.db2.gz OLSNMEYQKZDPHN-LJQANCHMSA-N 1 2 346.430 3.715 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000446242548 1029522589 /nfs/dbraw/zinc/52/25/89/1029522589.db2.gz YQGLAPYOYOODCX-INIZCTEOSA-N 1 2 340.471 3.983 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609120 1029532133 /nfs/dbraw/zinc/53/21/33/1029532133.db2.gz QPXZWHRALRAAEM-UKRRQHHQSA-N 1 2 344.484 3.862 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609120 1029532146 /nfs/dbraw/zinc/53/21/46/1029532146.db2.gz QPXZWHRALRAAEM-UKRRQHHQSA-N 1 2 344.484 3.862 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3)cc2OC)[nH]1 ZINC000272672446 1029559781 /nfs/dbraw/zinc/55/97/81/1029559781.db2.gz KXDFONKNYGYECE-AWEZNQCLSA-N 1 2 336.439 3.894 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc4ccccn34)[C@H](C)CO2)c1 ZINC000533290561 1029583249 /nfs/dbraw/zinc/58/32/49/1029583249.db2.gz DHOVIXKUABOBHR-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc4ccccn34)[C@H](C)CO2)c1 ZINC000533290561 1029583259 /nfs/dbraw/zinc/58/32/59/1029583259.db2.gz DHOVIXKUABOBHR-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000079214160 1029588109 /nfs/dbraw/zinc/58/81/09/1029588109.db2.gz UGJFKJPHSSZNSJ-MRXNPFEDSA-N 1 2 346.434 3.765 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000077441887 1029597122 /nfs/dbraw/zinc/59/71/22/1029597122.db2.gz BPRAXZSVWFRSBB-LBPRGKRZSA-N 1 2 340.254 3.808 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000077441887 1029597127 /nfs/dbraw/zinc/59/71/27/1029597127.db2.gz BPRAXZSVWFRSBB-LBPRGKRZSA-N 1 2 340.254 3.808 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155675922 1029616889 /nfs/dbraw/zinc/61/68/89/1029616889.db2.gz CKNQVWSLBVYECV-MRXNPFEDSA-N 1 2 338.455 3.996 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000155890232 1029690302 /nfs/dbraw/zinc/69/03/02/1029690302.db2.gz QTIZXGOYJDMGCX-NSHDSACASA-N 1 2 344.465 3.578 20 0 EHADLO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1F ZINC000668673686 1029737316 /nfs/dbraw/zinc/73/73/16/1029737316.db2.gz WHGQQKQWODQETK-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1F ZINC000668673686 1029737323 /nfs/dbraw/zinc/73/73/23/1029737323.db2.gz WHGQQKQWODQETK-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO O=C(C[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1)N1CCC1 ZINC000446713529 1029758196 /nfs/dbraw/zinc/75/81/96/1029758196.db2.gz ZPVCMLZEDYIHIS-LJQANCHMSA-N 1 2 340.854 3.672 20 0 EHADLO O=C(C[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1)N1CCC1 ZINC000446713529 1029758203 /nfs/dbraw/zinc/75/82/03/1029758203.db2.gz ZPVCMLZEDYIHIS-LJQANCHMSA-N 1 2 340.854 3.672 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)c2ncc[nH]2)cc1 ZINC000446824585 1029809967 /nfs/dbraw/zinc/80/99/67/1029809967.db2.gz UWCDRQPDNNCRRC-IBGZPJMESA-N 1 2 347.397 3.614 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000343227400 1029820055 /nfs/dbraw/zinc/82/00/55/1029820055.db2.gz VOVBNDVVKONVOI-UHFFFAOYSA-N 1 2 348.903 3.700 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H](C)O[C@@H](CC)C1 ZINC000525460108 1029858113 /nfs/dbraw/zinc/85/81/13/1029858113.db2.gz LMBNXSPNNGKHQD-GJZGRUSLSA-N 1 2 342.439 3.724 20 0 EHADLO CCCCc1nc(CN2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000533809114 1029858368 /nfs/dbraw/zinc/85/83/68/1029858368.db2.gz MOTPKASAMOQHMN-UHFFFAOYSA-N 1 2 335.542 3.865 20 0 EHADLO CC(C)(C)c1csc(CN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000533817007 1029866027 /nfs/dbraw/zinc/86/60/27/1029866027.db2.gz SEOZUMJSWBMEJF-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000536040015 1029875764 /nfs/dbraw/zinc/87/57/64/1029875764.db2.gz WQOTVYOUEJDKJI-UHFFFAOYSA-N 1 2 326.362 3.622 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000536040015 1029875769 /nfs/dbraw/zinc/87/57/69/1029875769.db2.gz WQOTVYOUEJDKJI-UHFFFAOYSA-N 1 2 326.362 3.622 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCSc1ccccc1)c1ccccc1 ZINC000536041964 1029876355 /nfs/dbraw/zinc/87/63/55/1029876355.db2.gz MFEHGTLEKYFQDW-SFHVURJKSA-N 1 2 341.476 3.753 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCSc1ccccc1)c1ccccc1 ZINC000536041964 1029876363 /nfs/dbraw/zinc/87/63/63/1029876363.db2.gz MFEHGTLEKYFQDW-SFHVURJKSA-N 1 2 341.476 3.753 20 0 EHADLO CC(=O)Nc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1C ZINC000162772073 1029881560 /nfs/dbraw/zinc/88/15/60/1029881560.db2.gz WANRAIUKXAIJRQ-UHFFFAOYSA-N 1 2 334.379 3.596 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156604297 1029887481 /nfs/dbraw/zinc/88/74/81/1029887481.db2.gz UKJDNNBRVYXZFA-KDOFPFPSSA-N 1 2 344.842 3.594 20 0 EHADLO O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162793026 1029890008 /nfs/dbraw/zinc/89/00/08/1029890008.db2.gz DZKKTIRFDNWTAU-MDZDMXLPSA-N 1 2 341.374 3.672 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(-c2ccccc2)n1 ZINC000447065087 1029902490 /nfs/dbraw/zinc/90/24/90/1029902490.db2.gz FANQYOONHIZYPK-UHFFFAOYSA-N 1 2 337.471 3.740 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(-c2ccccc2)n1 ZINC000447065087 1029902507 /nfs/dbraw/zinc/90/25/07/1029902507.db2.gz FANQYOONHIZYPK-UHFFFAOYSA-N 1 2 337.471 3.740 20 0 EHADLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000447064977 1029903440 /nfs/dbraw/zinc/90/34/40/1029903440.db2.gz CRBGQVZZHQRXPH-UHFFFAOYSA-N 1 2 349.862 3.764 20 0 EHADLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000447064977 1029903454 /nfs/dbraw/zinc/90/34/54/1029903454.db2.gz CRBGQVZZHQRXPH-UHFFFAOYSA-N 1 2 349.862 3.764 20 0 EHADLO O=C(COc1cc(Cl)ccc1Cl)Nc1cccc2[nH+]ccn21 ZINC000525619993 1029973034 /nfs/dbraw/zinc/97/30/34/1029973034.db2.gz UTBACRVJOALWRX-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO CC(C)[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000278286760 1029979193 /nfs/dbraw/zinc/97/91/93/1029979193.db2.gz UKURZFOVHRNNSP-QGZVFWFLSA-N 1 2 338.455 3.689 20 0 EHADLO CC(C)C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccncc1 ZINC000647296739 1030002161 /nfs/dbraw/zinc/00/21/61/1030002161.db2.gz VOIWWFUWRWRMQB-GOSISDBHSA-N 1 2 326.444 3.513 20 0 EHADLO Cc1ccc(C2CC[NH+](Cc3cc(C(F)(F)F)nn3C)CC2)cn1 ZINC000667967705 1030035093 /nfs/dbraw/zinc/03/50/93/1030035093.db2.gz XMZXWAUUNJWQIG-UHFFFAOYSA-N 1 2 338.377 3.522 20 0 EHADLO CC(C)C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)OC(C)(C)C ZINC000600595855 1030037019 /nfs/dbraw/zinc/03/70/19/1030037019.db2.gz MBSNIRYYQJVGEC-KBAYOESNSA-N 1 2 348.487 3.648 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)[nH]1 ZINC000453293043 1030041090 /nfs/dbraw/zinc/04/10/90/1030041090.db2.gz PINZNLPJHORKMT-VIFPVBQESA-N 1 2 341.228 3.681 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000453328728 1030061131 /nfs/dbraw/zinc/06/11/31/1030061131.db2.gz CDJBJUOGKYJEAH-PELKAZGASA-N 1 2 339.313 3.822 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058566145 1030071230 /nfs/dbraw/zinc/07/12/30/1030071230.db2.gz VOVNBKJVURUHKA-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO Cc1cc(C)cc(C2(c3noc(C[N@@H+](C)[C@@H]4CCSC4)n3)CC2)c1 ZINC000453304973 1030074674 /nfs/dbraw/zinc/07/46/74/1030074674.db2.gz GWKPKVFQWHSOBV-MRXNPFEDSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1cc(C)cc(C2(c3noc(C[N@H+](C)[C@@H]4CCSC4)n3)CC2)c1 ZINC000453304973 1030074692 /nfs/dbraw/zinc/07/46/92/1030074692.db2.gz GWKPKVFQWHSOBV-MRXNPFEDSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cnccc2C)nnn1-c1cccc(Cl)c1 ZINC000453321543 1030100056 /nfs/dbraw/zinc/10/00/56/1030100056.db2.gz HLBTXHCIFRIFEA-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000058855395 1030100733 /nfs/dbraw/zinc/10/07/33/1030100733.db2.gz VOAXLAXAIDSDMB-UHFFFAOYSA-N 1 2 347.509 3.778 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCc2ccc(C)cc2)c1C ZINC000058957221 1030142734 /nfs/dbraw/zinc/14/27/34/1030142734.db2.gz ZZYRZINILXWEDH-UHFFFAOYSA-N 1 2 340.467 3.997 20 0 EHADLO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000667982358 1030149026 /nfs/dbraw/zinc/14/90/26/1030149026.db2.gz CXRXDOFWQDVFIL-IIBYNOLFSA-N 1 2 346.478 3.994 20 0 EHADLO CCCCCNC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121043906 1030167074 /nfs/dbraw/zinc/16/70/74/1030167074.db2.gz JAUPNPHQQFWKHD-CQSZACIVSA-N 1 2 325.522 3.874 20 0 EHADLO CCCCCNC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121043906 1030167082 /nfs/dbraw/zinc/16/70/82/1030167082.db2.gz JAUPNPHQQFWKHD-CQSZACIVSA-N 1 2 325.522 3.874 20 0 EHADLO CCc1ncc(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)o1 ZINC000453394710 1030244099 /nfs/dbraw/zinc/24/40/99/1030244099.db2.gz SQHYRBDTPUPPBA-CQSZACIVSA-N 1 2 328.334 3.733 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000157091398 1030258866 /nfs/dbraw/zinc/25/88/66/1030258866.db2.gz IYFPRLMOYXRSMQ-LJQANCHMSA-N 1 2 334.423 3.945 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000157091398 1030258881 /nfs/dbraw/zinc/25/88/81/1030258881.db2.gz IYFPRLMOYXRSMQ-LJQANCHMSA-N 1 2 334.423 3.945 20 0 EHADLO COc1ccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000343323494 1030277341 /nfs/dbraw/zinc/27/73/41/1030277341.db2.gz PDGMZPGJFDSEKS-UHFFFAOYSA-N 1 2 349.434 3.521 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000128863642 1030294619 /nfs/dbraw/zinc/29/46/19/1030294619.db2.gz XPBFWZUSHZQITH-OLZOCXBDSA-N 1 2 334.407 3.840 20 0 EHADLO CCCCOc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000482272835 1030302796 /nfs/dbraw/zinc/30/27/96/1030302796.db2.gz IFJFQARWTFVFAI-UHFFFAOYSA-N 1 2 326.444 3.736 20 0 EHADLO O=C(Cc1cccc2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343329934 1030315756 /nfs/dbraw/zinc/31/57/56/1030315756.db2.gz DPLHAHACOHPXOP-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO COC[C@H]([NH2+]Cc1sc(C)cc1Br)c1ccco1 ZINC000453563102 1030329458 /nfs/dbraw/zinc/32/94/58/1030329458.db2.gz DDXLZDHHWBGSBR-NSHDSACASA-N 1 2 330.247 3.889 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000091886607 1030330682 /nfs/dbraw/zinc/33/06/82/1030330682.db2.gz OJWOOJDPJNWHKN-ZDUSSCGKSA-N 1 2 333.407 3.513 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCc3ccc(F)cc31)C2 ZINC000526003517 1030343858 /nfs/dbraw/zinc/34/38/58/1030343858.db2.gz OXSHXQWQJMLEDF-XJKSGUPXSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCc3ccc(F)cc31)CC2 ZINC000526003517 1030343875 /nfs/dbraw/zinc/34/38/75/1030343875.db2.gz OXSHXQWQJMLEDF-XJKSGUPXSA-N 1 2 341.430 3.581 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069033 1030370184 /nfs/dbraw/zinc/37/01/84/1030370184.db2.gz GYPORTGGRGRSBF-GWCFXTLKSA-N 1 2 327.350 3.787 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069033 1030370199 /nfs/dbraw/zinc/37/01/99/1030370199.db2.gz GYPORTGGRGRSBF-GWCFXTLKSA-N 1 2 327.350 3.787 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(C(F)(F)F)c(Br)c1 ZINC000526047842 1030370540 /nfs/dbraw/zinc/37/05/40/1030370540.db2.gz RNGFRSCPOAAWIO-UHFFFAOYSA-N 1 2 334.139 3.814 20 0 EHADLO CC1(CC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000429725216 1030383660 /nfs/dbraw/zinc/38/36/60/1030383660.db2.gz YGFYABZYHRCWGC-OAHLLOKOSA-N 1 2 338.854 3.922 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)cc(C)c1OCC(F)(F)F ZINC000092190250 1030402794 /nfs/dbraw/zinc/40/27/94/1030402794.db2.gz MLIAJRQNZSAQPX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)cc(C)c1OCC(F)(F)F ZINC000092190250 1030402801 /nfs/dbraw/zinc/40/28/01/1030402801.db2.gz MLIAJRQNZSAQPX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cccc(Nc2nnc(SCCn3cc[nH+]c3)s2)c1C ZINC000121830186 1030403471 /nfs/dbraw/zinc/40/34/71/1030403471.db2.gz DSNGYRFHVDTMNU-UHFFFAOYSA-N 1 2 331.470 3.887 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Cl)C[C@]2(CCCOC2)O1 ZINC000482436076 1030415830 /nfs/dbraw/zinc/41/58/30/1030415830.db2.gz BXWAEVWPBVMYAY-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Cl)C[C@]2(CCCOC2)O1 ZINC000482436076 1030415842 /nfs/dbraw/zinc/41/58/42/1030415842.db2.gz BXWAEVWPBVMYAY-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000453628766 1030430304 /nfs/dbraw/zinc/43/03/04/1030430304.db2.gz WRQMYJOBYHCWRH-AWEZNQCLSA-N 1 2 332.517 3.660 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000453628766 1030430313 /nfs/dbraw/zinc/43/03/13/1030430313.db2.gz WRQMYJOBYHCWRH-AWEZNQCLSA-N 1 2 332.517 3.660 20 0 EHADLO C[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)Cc1cnccn1 ZINC000092590701 1030488626 /nfs/dbraw/zinc/48/86/26/1030488626.db2.gz JAYIGXPKCJMPAT-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@@H+](Cc1ccc(-c2nc3ccccc3s2)o1)Cc1cnccn1 ZINC000092590701 1030488634 /nfs/dbraw/zinc/48/86/34/1030488634.db2.gz JAYIGXPKCJMPAT-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc2c(c1)CCCC2 ZINC000532225788 1030490599 /nfs/dbraw/zinc/49/05/99/1030490599.db2.gz RDUQUSUBRDBIKT-NSHDSACASA-N 1 2 334.261 3.902 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C)c[nH+]1 ZINC000378353844 1030500621 /nfs/dbraw/zinc/50/06/21/1030500621.db2.gz HECCMEDIDHHRLR-KZULUSFZSA-N 1 2 327.403 3.874 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c(OCCC(C)C)c1 ZINC000925254086 1030507903 /nfs/dbraw/zinc/50/79/03/1030507903.db2.gz MEZZGJRTTHPFOV-RDJZCZTQSA-N 1 2 328.460 3.807 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000447831865 1030521031 /nfs/dbraw/zinc/52/10/31/1030521031.db2.gz PAIINWSLJXLZES-FQEVSTJZSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000447831865 1030521040 /nfs/dbraw/zinc/52/10/40/1030521040.db2.gz PAIINWSLJXLZES-FQEVSTJZSA-N 1 2 340.467 3.908 20 0 EHADLO C[C@@H]1COCC[C@H]1c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000564522843 1030527545 /nfs/dbraw/zinc/52/75/45/1030527545.db2.gz MLOZEHYJULSAPL-GKXYRXCGSA-N 1 2 336.395 3.566 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000526975631 1030532444 /nfs/dbraw/zinc/53/24/44/1030532444.db2.gz CVUJTRXIPHIMPN-KRWDZBQOSA-N 1 2 339.483 3.995 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000526975631 1030532458 /nfs/dbraw/zinc/53/24/58/1030532458.db2.gz CVUJTRXIPHIMPN-KRWDZBQOSA-N 1 2 339.483 3.995 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000526995066 1030557103 /nfs/dbraw/zinc/55/71/03/1030557103.db2.gz SELVCVZLOYQMEZ-INIZCTEOSA-N 1 2 340.250 3.963 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(C)c1O ZINC000527010649 1030562282 /nfs/dbraw/zinc/56/22/82/1030562282.db2.gz AWIIPRWAAASLIO-ZDUSSCGKSA-N 1 2 327.428 3.599 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(C)c1O ZINC000527010649 1030562292 /nfs/dbraw/zinc/56/22/92/1030562292.db2.gz AWIIPRWAAASLIO-ZDUSSCGKSA-N 1 2 327.428 3.599 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000093606436 1030639443 /nfs/dbraw/zinc/63/94/43/1030639443.db2.gz ZYXDWOHSKMDWRA-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000093606436 1030639452 /nfs/dbraw/zinc/63/94/52/1030639452.db2.gz ZYXDWOHSKMDWRA-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1OC ZINC000093637625 1030644815 /nfs/dbraw/zinc/64/48/15/1030644815.db2.gz HJDMQDLIBTWHEL-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1OC ZINC000093637625 1030644824 /nfs/dbraw/zinc/64/48/24/1030644824.db2.gz HJDMQDLIBTWHEL-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000657791572 1030657529 /nfs/dbraw/zinc/65/75/29/1030657529.db2.gz GKCMQRUEIIIZBK-HNNXBMFYSA-N 1 2 347.283 3.512 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000668109047 1030668261 /nfs/dbraw/zinc/66/82/61/1030668261.db2.gz SQTKRFSRXQJLIH-OAHLLOKOSA-N 1 2 346.496 3.546 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000668109047 1030668277 /nfs/dbraw/zinc/66/82/77/1030668277.db2.gz SQTKRFSRXQJLIH-OAHLLOKOSA-N 1 2 346.496 3.546 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1C ZINC000093768769 1030672254 /nfs/dbraw/zinc/67/22/54/1030672254.db2.gz ZTCCLILPPPGJOK-UGSOOPFHSA-N 1 2 333.501 3.933 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1C ZINC000093768769 1030672261 /nfs/dbraw/zinc/67/22/61/1030672261.db2.gz ZTCCLILPPPGJOK-UGSOOPFHSA-N 1 2 333.501 3.933 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCc4ccc(F)cc43)[nH+]c12 ZINC000527265767 1030756385 /nfs/dbraw/zinc/75/63/85/1030756385.db2.gz AXIYBOHBERZPRM-SFHVURJKSA-N 1 2 337.398 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C)c(Cl)c2)c1C ZINC000171293460 1030787149 /nfs/dbraw/zinc/78/71/49/1030787149.db2.gz UHVPUFVZAQPFNJ-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247002185 1030828879 /nfs/dbraw/zinc/82/88/79/1030828879.db2.gz BNNLBQYHXAMVNX-KGLIPLIRSA-N 1 2 331.464 3.616 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247002185 1030828896 /nfs/dbraw/zinc/82/88/96/1030828896.db2.gz BNNLBQYHXAMVNX-KGLIPLIRSA-N 1 2 331.464 3.616 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccc(Br)o2)c1OC ZINC000130692029 1030832141 /nfs/dbraw/zinc/83/21/41/1030832141.db2.gz RHGGHQHBCDEFGI-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccc(Br)o2)c1OC ZINC000130692029 1030832163 /nfs/dbraw/zinc/83/21/63/1030832163.db2.gz RHGGHQHBCDEFGI-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)n1 ZINC000247017332 1030834693 /nfs/dbraw/zinc/83/46/93/1030834693.db2.gz CKVIHMSPLAFYPP-CABCVRRESA-N 1 2 331.464 3.661 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)n1 ZINC000247017332 1030834713 /nfs/dbraw/zinc/83/47/13/1030834713.db2.gz CKVIHMSPLAFYPP-CABCVRRESA-N 1 2 331.464 3.661 20 0 EHADLO Cc1c(Br)cncc1C[NH+]1CC(c2ccccc2F)C1 ZINC000668183887 1030888729 /nfs/dbraw/zinc/88/87/29/1030888729.db2.gz SMLGRQDTDVGAHR-UHFFFAOYSA-N 1 2 335.220 3.891 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000483043739 1030923298 /nfs/dbraw/zinc/92/32/98/1030923298.db2.gz NKUBJGFJHCELHD-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000483043739 1030923307 /nfs/dbraw/zinc/92/33/07/1030923307.db2.gz NKUBJGFJHCELHD-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cc1cc(C)cc(OCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000097676734 1030949553 /nfs/dbraw/zinc/94/95/53/1030949553.db2.gz IWKHNAAJQVZRFU-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO O=C(CCc1cc(Cl)cc(Cl)c1)NCc1ccn2cc[nH+]c2c1 ZINC000483106914 1030967265 /nfs/dbraw/zinc/96/72/65/1030967265.db2.gz PZGSTKLWCFGNEB-UHFFFAOYSA-N 1 2 348.233 3.890 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000172803451 1031000199 /nfs/dbraw/zinc/00/01/99/1031000199.db2.gz ADQHZCGZWRXWGC-AWEZNQCLSA-N 1 2 325.437 3.542 20 0 EHADLO COc1cc(C)c(CN(C)c2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000116259868 1031054625 /nfs/dbraw/zinc/05/46/25/1031054625.db2.gz AVJXMBHJVSJTRB-UHFFFAOYSA-N 1 2 327.428 3.624 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666962045 1031058646 /nfs/dbraw/zinc/05/86/46/1031058646.db2.gz XHXIYQGJVKGLRX-KBPBESRZSA-N 1 2 343.858 3.851 20 0 EHADLO CCSc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000668227948 1031064912 /nfs/dbraw/zinc/06/49/12/1031064912.db2.gz YETOHJSPCBMUAY-DAXOMENPSA-N 1 2 329.469 3.513 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1 ZINC000483277987 1031084912 /nfs/dbraw/zinc/08/49/12/1031084912.db2.gz AXLOPISJJBZNDX-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1 ZINC000483277987 1031084926 /nfs/dbraw/zinc/08/49/26/1031084926.db2.gz AXLOPISJJBZNDX-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc(Br)c(F)c2F)s1 ZINC000527668717 1031099988 /nfs/dbraw/zinc/09/99/88/1031099988.db2.gz SYEKKSWVAQWGOG-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CCC2CC2)nc1-c1ccccn1 ZINC000760538749 1031108301 /nfs/dbraw/zinc/10/83/01/1031108301.db2.gz OIMITJPRZRHFNA-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CCC2CC2)nc1-c1ccccn1 ZINC000760538749 1031108316 /nfs/dbraw/zinc/10/83/16/1031108316.db2.gz OIMITJPRZRHFNA-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000483401881 1031140855 /nfs/dbraw/zinc/14/08/55/1031140855.db2.gz FIVSXECORJSDDU-IBGZPJMESA-N 1 2 348.368 3.706 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000483401881 1031140862 /nfs/dbraw/zinc/14/08/62/1031140862.db2.gz FIVSXECORJSDDU-IBGZPJMESA-N 1 2 348.368 3.706 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000527724496 1031152890 /nfs/dbraw/zinc/15/28/90/1031152890.db2.gz HNWZREYIJGQGIM-RNCFNFMXSA-N 1 2 344.249 3.861 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000483419560 1031154114 /nfs/dbraw/zinc/15/41/14/1031154114.db2.gz QFBAVFSCOQIHMC-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000483419560 1031154123 /nfs/dbraw/zinc/15/41/23/1031154123.db2.gz QFBAVFSCOQIHMC-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000477007246 1031161359 /nfs/dbraw/zinc/16/13/59/1031161359.db2.gz ZAEBMKQXRCIADN-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000477007246 1031161368 /nfs/dbraw/zinc/16/13/68/1031161368.db2.gz ZAEBMKQXRCIADN-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1F ZINC000278510761 1031171370 /nfs/dbraw/zinc/17/13/70/1031171370.db2.gz WRKBOWVJUYHADV-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1F ZINC000278510761 1031171377 /nfs/dbraw/zinc/17/13/77/1031171377.db2.gz WRKBOWVJUYHADV-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO Cc1nc(CNC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[nH]c1C ZINC000583946259 1031184714 /nfs/dbraw/zinc/18/47/14/1031184714.db2.gz VKGOXCNRYHJUHR-QGZVFWFLSA-N 1 2 332.879 3.607 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]4CCC[C@@H]43)cn2c1 ZINC000174367380 1031203785 /nfs/dbraw/zinc/20/37/85/1031203785.db2.gz SVNRCGVPXOTXHK-RDJZCZTQSA-N 1 2 343.496 3.667 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1nccs1 ZINC000152620009 1031205243 /nfs/dbraw/zinc/20/52/43/1031205243.db2.gz QRWDDXWZSSQSKY-KPZWWZAWSA-N 1 2 332.469 3.890 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000527777675 1031238936 /nfs/dbraw/zinc/23/89/36/1031238936.db2.gz RHRCBAAHOPALEW-UHFFFAOYSA-N 1 2 345.446 3.670 20 0 EHADLO CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC(F)(F)CC1 ZINC000527778738 1031239407 /nfs/dbraw/zinc/23/94/07/1031239407.db2.gz DYRNIDYRMHNRBA-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477102929 1031255038 /nfs/dbraw/zinc/25/50/38/1031255038.db2.gz SJJGDZFDRNHLBR-INIZCTEOSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477102929 1031255054 /nfs/dbraw/zinc/25/50/54/1031255054.db2.gz SJJGDZFDRNHLBR-INIZCTEOSA-N 1 2 339.483 3.913 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC(OCCC(C)C)CC2)cs1 ZINC000175098398 1031273903 /nfs/dbraw/zinc/27/39/03/1031273903.db2.gz FTQLDAYQGOCBJL-CQSZACIVSA-N 1 2 326.506 3.878 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000483689357 1031288278 /nfs/dbraw/zinc/28/82/78/1031288278.db2.gz ZZDLSEDPEAYYQW-QGZVFWFLSA-N 1 2 332.492 3.840 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000315190341 1031297881 /nfs/dbraw/zinc/29/78/81/1031297881.db2.gz PJINQIUDYVVHIW-NEPJUHHUSA-N 1 2 334.441 3.740 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000315190348 1031298097 /nfs/dbraw/zinc/29/80/97/1031298097.db2.gz PJINQIUDYVVHIW-NWDGAFQWSA-N 1 2 334.441 3.740 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000175261430 1031317127 /nfs/dbraw/zinc/31/71/27/1031317127.db2.gz ZOCLEYWDJSTJDK-AAEUAGOBSA-N 1 2 335.860 3.561 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000668269222 1031351416 /nfs/dbraw/zinc/35/14/16/1031351416.db2.gz GQIYACMRFLXPAV-AEFFLSMTSA-N 1 2 342.483 3.989 20 0 EHADLO COc1ccccc1/C=C/C[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000483829679 1031360586 /nfs/dbraw/zinc/36/05/86/1031360586.db2.gz GCQGQMQPAYQUEA-JXMROGBWSA-N 1 2 335.407 3.857 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)c1ccn(C)n1 ZINC000527908693 1031438538 /nfs/dbraw/zinc/43/85/38/1031438538.db2.gz MISUCMBHLZJBHG-RKDXNWHRSA-N 1 2 344.203 3.873 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000194739251 1031442011 /nfs/dbraw/zinc/44/20/11/1031442011.db2.gz JFXURUMZSAYMMF-ZACQAIPSSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000194739251 1031442021 /nfs/dbraw/zinc/44/20/21/1031442021.db2.gz JFXURUMZSAYMMF-ZACQAIPSSA-N 1 2 344.282 3.804 20 0 EHADLO COc1ccc(CCCN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000635406208 1031443942 /nfs/dbraw/zinc/44/39/42/1031443942.db2.gz VFGVCRVRIURVNA-LJQANCHMSA-N 1 2 343.471 3.570 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000343574327 1031452037 /nfs/dbraw/zinc/45/20/37/1031452037.db2.gz CUCCWPQZSQBSFB-GOSISDBHSA-N 1 2 328.460 3.515 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000343574327 1031452049 /nfs/dbraw/zinc/45/20/49/1031452049.db2.gz CUCCWPQZSQBSFB-GOSISDBHSA-N 1 2 328.460 3.515 20 0 EHADLO Brc1ccc2c(c1)C[N@@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000551570491 1031464811 /nfs/dbraw/zinc/46/48/11/1031464811.db2.gz HNVXKRJFUXXJPZ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)C[N@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000551570491 1031464818 /nfs/dbraw/zinc/46/48/18/1031464818.db2.gz HNVXKRJFUXXJPZ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)C[N@@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000551570491 1031464824 /nfs/dbraw/zinc/46/48/24/1031464824.db2.gz HNVXKRJFUXXJPZ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)C[N@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000551570491 1031464831 /nfs/dbraw/zinc/46/48/31/1031464831.db2.gz HNVXKRJFUXXJPZ-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC(C)(C)C1CC1 ZINC000551598921 1031495713 /nfs/dbraw/zinc/49/57/13/1031495713.db2.gz HJXOLJFZWSDWSZ-UHFFFAOYSA-N 1 2 343.515 3.973 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(F)c(Br)cc1F)c1nccn1C ZINC000527979659 1031515121 /nfs/dbraw/zinc/51/51/21/1031515121.db2.gz KWGJOMBBUDXJDC-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO CC(C)C[C@H](c1nc([C@H]2CCOc3ccccc32)no1)n1cc[nH+]c1 ZINC000923886900 1031525203 /nfs/dbraw/zinc/52/52/03/1031525203.db2.gz XMVUQKHBOBTVHB-JKSUJKDBSA-N 1 2 338.411 3.816 20 0 EHADLO CC(C)C(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000194810712 1031538476 /nfs/dbraw/zinc/53/84/76/1031538476.db2.gz JMEIECSVWHPAJV-UHFFFAOYSA-N 1 2 342.487 3.659 20 0 EHADLO Cc1cccn2cc(C[S@](=O)c3cccc(Br)c3)[nH+]c12 ZINC000083977794 1031557904 /nfs/dbraw/zinc/55/79/04/1031557904.db2.gz IQSBACAANHCHEV-HXUWFJFHSA-N 1 2 349.253 3.713 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000177743780 1031563336 /nfs/dbraw/zinc/56/33/36/1031563336.db2.gz HVADQZDYOCPFFE-KRWDZBQOSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000177743780 1031563360 /nfs/dbraw/zinc/56/33/60/1031563360.db2.gz HVADQZDYOCPFFE-KRWDZBQOSA-N 1 2 325.437 3.573 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177765096 1031565487 /nfs/dbraw/zinc/56/54/87/1031565487.db2.gz GJUGOSFIVDSJJA-FYCOFBDGSA-N 1 2 349.356 3.606 20 0 EHADLO CC1(C)CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000278597941 1031569314 /nfs/dbraw/zinc/56/93/14/1031569314.db2.gz UTRRUMVIXIKHJY-QGZVFWFLSA-N 1 2 339.439 3.783 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000177639245 1031584561 /nfs/dbraw/zinc/58/45/61/1031584561.db2.gz RHQHYFGULXFNLS-CRAIPNDOSA-N 1 2 337.423 3.851 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000177907854 1031592759 /nfs/dbraw/zinc/59/27/59/1031592759.db2.gz GDSKKUJSDSGNCE-GFCCVEGCSA-N 1 2 328.803 3.548 20 0 EHADLO COc1ccc(C[C@H]2CCCN(c3nc(N)c4ccccc4[nH+]3)C2)cc1 ZINC000551715765 1031597513 /nfs/dbraw/zinc/59/75/13/1031597513.db2.gz KPIKMDKTUVPNMQ-MRXNPFEDSA-N 1 2 348.450 3.510 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448730512 1031602437 /nfs/dbraw/zinc/60/24/37/1031602437.db2.gz YARMEIWSXFMJDS-UKBAYJJMSA-N 1 2 344.499 3.917 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448730512 1031602449 /nfs/dbraw/zinc/60/24/49/1031602449.db2.gz YARMEIWSXFMJDS-UKBAYJJMSA-N 1 2 344.499 3.917 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccs1 ZINC000177980164 1031602570 /nfs/dbraw/zinc/60/25/70/1031602570.db2.gz KYNNVBILLDTONL-CABCVRRESA-N 1 2 346.500 3.597 20 0 EHADLO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1noc(C2CC2)n1 ZINC000343621158 1031665818 /nfs/dbraw/zinc/66/58/18/1031665818.db2.gz HDFHEIICBYBBAG-OAHLLOKOSA-N 1 2 333.407 3.669 20 0 EHADLO C[C@H]1CCN(c2nccc(Oc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000278621884 1031680937 /nfs/dbraw/zinc/68/09/37/1031680937.db2.gz GMKCORBIQJOPOL-RDJZCZTQSA-N 1 2 335.411 3.553 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000347468036 1031687191 /nfs/dbraw/zinc/68/71/91/1031687191.db2.gz MTGUNQWLMSIPHR-INIZCTEOSA-N 1 2 335.407 3.700 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000178366790 1031689755 /nfs/dbraw/zinc/68/97/55/1031689755.db2.gz ZSPDVOHLQKQWDP-VQTJNVASSA-N 1 2 341.414 3.907 20 0 EHADLO CSc1ccc(Cl)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178366028 1031690838 /nfs/dbraw/zinc/69/08/38/1031690838.db2.gz RCTIQCNTZDEMID-UHFFFAOYSA-N 1 2 331.828 3.640 20 0 EHADLO c1ccc(-c2nccnc2NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000685267054 1031718688 /nfs/dbraw/zinc/71/86/88/1031718688.db2.gz FMMCXJVBFMBHCX-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117589674 1031758163 /nfs/dbraw/zinc/75/81/63/1031758163.db2.gz NMSPEHXVKWMABR-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO O=C(NCC1(Sc2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117660308 1031790050 /nfs/dbraw/zinc/79/00/50/1031790050.db2.gz SNMPRJDBVDYEOG-UHFFFAOYSA-N 1 2 349.459 3.927 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000343657578 1031819196 /nfs/dbraw/zinc/81/91/96/1031819196.db2.gz HHTUWGXZLLZUFB-BHIYHBOVSA-N 1 2 335.451 3.518 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccco1)Cc1ccco1 ZINC000117752554 1031848382 /nfs/dbraw/zinc/84/83/82/1031848382.db2.gz YVUPVJGHUICHMB-UHFFFAOYSA-N 1 2 347.374 3.901 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccncn3)no2)cc1 ZINC000528187937 1031865480 /nfs/dbraw/zinc/86/54/80/1031865480.db2.gz RXGDJSZTRZWYJL-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccncn3)no2)cc1 ZINC000528187937 1031865497 /nfs/dbraw/zinc/86/54/97/1031865497.db2.gz RXGDJSZTRZWYJL-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccc(C3CCOCC3)cc2)n1 ZINC000904264908 1031893443 /nfs/dbraw/zinc/89/34/43/1031893443.db2.gz CRGMUUBDPFOMGY-UHFFFAOYSA-N 1 2 336.395 3.583 20 0 EHADLO Cc1ccc(OCCCc2nc(-c3c[nH+]c(N)cc3C)no2)cc1C ZINC000904269616 1031895967 /nfs/dbraw/zinc/89/59/67/1031895967.db2.gz MVXXWIQZMLGDJF-UHFFFAOYSA-N 1 2 338.411 3.651 20 0 EHADLO Cc1cc(-c2nc(-c3c[nH+]c(N)cc3C)no2)nn1C1CCCCC1 ZINC000904269302 1031896577 /nfs/dbraw/zinc/89/65/77/1031896577.db2.gz ALJGMQDBEXTRAY-UHFFFAOYSA-N 1 2 338.415 3.699 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)CCc2cccc(F)c2)n1 ZINC000904269451 1031897334 /nfs/dbraw/zinc/89/73/34/1031897334.db2.gz GSDQRLUFKVELBS-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 ZINC000904271945 1031899163 /nfs/dbraw/zinc/89/91/63/1031899163.db2.gz FTUIYFUTQUYLPJ-UHFFFAOYSA-N 1 2 345.790 3.525 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000180943001 1031925944 /nfs/dbraw/zinc/92/59/44/1031925944.db2.gz PPOJLGAFFVTMBE-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000180943001 1031925956 /nfs/dbraw/zinc/92/59/56/1031925956.db2.gz PPOJLGAFFVTMBE-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159180476 1031937207 /nfs/dbraw/zinc/93/72/07/1031937207.db2.gz SQQAWLQMBHOTRE-GJZGRUSLSA-N 1 2 330.432 3.518 20 0 EHADLO Cc1ccccc1OCCCNc1ccccc1C[NH+]1CCOCC1 ZINC000484785260 1031941702 /nfs/dbraw/zinc/94/17/02/1031941702.db2.gz FRFQMBXGDPZCRF-UHFFFAOYSA-N 1 2 340.467 3.708 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000151717539 1031950594 /nfs/dbraw/zinc/95/05/94/1031950594.db2.gz DEXRNSFLDULSPD-RBUKOAKNSA-N 1 2 339.439 3.704 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000537843598 1031957659 /nfs/dbraw/zinc/95/76/59/1031957659.db2.gz DIRDYEUKWANKHO-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000537843598 1031957672 /nfs/dbraw/zinc/95/76/72/1031957672.db2.gz DIRDYEUKWANKHO-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO CCCOc1cccc(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000460706937 1031972558 /nfs/dbraw/zinc/97/25/58/1031972558.db2.gz BZOQDVHTHCOGCH-LJQANCHMSA-N 1 2 348.487 3.551 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000343701221 1031999206 /nfs/dbraw/zinc/99/92/06/1031999206.db2.gz NSPGQGSEUYJUMU-IBGZPJMESA-N 1 2 342.443 3.616 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccccc1OC(F)F ZINC000924647740 1032008687 /nfs/dbraw/zinc/00/86/87/1032008687.db2.gz RNQFCGZVAMNDSF-GXFFZTMASA-N 1 2 326.343 3.570 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000181648567 1032014961 /nfs/dbraw/zinc/01/49/61/1032014961.db2.gz XJODOVFWHRXPNL-QGZVFWFLSA-N 1 2 326.371 3.958 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[NH+]1CCOCC1 ZINC000460769920 1032017949 /nfs/dbraw/zinc/01/79/49/1032017949.db2.gz RBTZSQJHQSHSOR-IBGZPJMESA-N 1 2 343.471 3.552 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnc(CCc2ccccc2)s1 ZINC000449015788 1032027019 /nfs/dbraw/zinc/02/70/19/1032027019.db2.gz COBNOPHCNQEOIB-UHFFFAOYSA-N 1 2 340.496 3.684 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnc(CCc2ccccc2)s1 ZINC000449015788 1032027031 /nfs/dbraw/zinc/02/70/31/1032027031.db2.gz COBNOPHCNQEOIB-UHFFFAOYSA-N 1 2 340.496 3.684 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449016272 1032027895 /nfs/dbraw/zinc/02/78/95/1032027895.db2.gz GWEDDIKUGBKGEO-OXJNMPFZSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449016272 1032027910 /nfs/dbraw/zinc/02/79/10/1032027910.db2.gz GWEDDIKUGBKGEO-OXJNMPFZSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccnn2C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000449017089 1032031729 /nfs/dbraw/zinc/03/17/29/1032031729.db2.gz GVCCWTWBSGCFBM-OXJNMPFZSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccnn2C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000449017089 1032031746 /nfs/dbraw/zinc/03/17/46/1032031746.db2.gz GVCCWTWBSGCFBM-OXJNMPFZSA-N 1 2 325.456 3.960 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C12CCC2 ZINC000181874071 1032039442 /nfs/dbraw/zinc/03/94/42/1032039442.db2.gz AZDCIOUEXLKEEW-USXIJHARSA-N 1 2 341.455 3.659 20 0 EHADLO COc1nccc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000449007335 1032046451 /nfs/dbraw/zinc/04/64/51/1032046451.db2.gz KWJCSIRPYHBJHE-INIZCTEOSA-N 1 2 343.477 3.756 20 0 EHADLO COc1nccc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000449007335 1032046465 /nfs/dbraw/zinc/04/64/65/1032046465.db2.gz KWJCSIRPYHBJHE-INIZCTEOSA-N 1 2 343.477 3.756 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181980372 1032051736 /nfs/dbraw/zinc/05/17/36/1032051736.db2.gz UDLFQRAGBMBYSJ-UHFFFAOYSA-N 1 2 341.451 3.591 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000181980372 1032051757 /nfs/dbraw/zinc/05/17/57/1032051757.db2.gz UDLFQRAGBMBYSJ-UHFFFAOYSA-N 1 2 341.451 3.591 20 0 EHADLO C[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000182035100 1032055084 /nfs/dbraw/zinc/05/50/84/1032055084.db2.gz ZVTYPPLAUMAECY-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO C[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000182035100 1032055098 /nfs/dbraw/zinc/05/50/98/1032055098.db2.gz ZVTYPPLAUMAECY-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nn1 ZINC000685411521 1033296993 /nfs/dbraw/zinc/29/69/93/1033296993.db2.gz AWWGPJVQUVUILJ-UHFFFAOYSA-N 1 2 348.450 3.694 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)nn1 ZINC000685411521 1033297000 /nfs/dbraw/zinc/29/70/00/1033297000.db2.gz AWWGPJVQUVUILJ-UHFFFAOYSA-N 1 2 348.450 3.694 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574641717 1033333568 /nfs/dbraw/zinc/33/35/68/1033333568.db2.gz YGOPCVPYCWNDCH-ZIFCJYIRSA-N 1 2 341.455 3.649 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000529073383 1033344276 /nfs/dbraw/zinc/34/42/76/1033344276.db2.gz DWYJKBLPKUNMKT-CVEARBPZSA-N 1 2 331.847 3.551 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000603090871 1033353563 /nfs/dbraw/zinc/35/35/63/1033353563.db2.gz WOTYLBOUUJKRAU-UHFFFAOYSA-N 1 2 344.484 3.658 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000607850395 1033358513 /nfs/dbraw/zinc/35/85/13/1033358513.db2.gz ORWLUOJSVKNYQW-IBGZPJMESA-N 1 2 335.451 3.665 20 0 EHADLO CC[N@H+](CC(=O)Nc1nccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000054348077 1033401418 /nfs/dbraw/zinc/40/14/18/1033401418.db2.gz VGDJSDALPZWANK-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO CC[N@@H+](CC(=O)Nc1nccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000054348077 1033401426 /nfs/dbraw/zinc/40/14/26/1033401426.db2.gz VGDJSDALPZWANK-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@H]2C=C[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000343805476 1033410356 /nfs/dbraw/zinc/41/03/56/1033410356.db2.gz LCRDDKHPUYDRIS-HOTGVXAUSA-N 1 2 343.496 3.914 20 0 EHADLO Cc1ccc(F)c(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000065701859 1033411972 /nfs/dbraw/zinc/41/19/72/1033411972.db2.gz QMZBEEAVYJKCAM-UHFFFAOYSA-N 1 2 344.459 3.616 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000594616982 1033465345 /nfs/dbraw/zinc/46/53/45/1033465345.db2.gz ZGCINOREUXEDMQ-OTWHNJEPSA-N 1 2 344.499 3.893 20 0 EHADLO C[C@@H](Cc1cccs1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616453 1033465647 /nfs/dbraw/zinc/46/56/47/1033465647.db2.gz UQOSQHRQKBXAEE-WMLDXEAASA-N 1 2 346.496 3.617 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2 ZINC000608053426 1033470604 /nfs/dbraw/zinc/47/06/04/1033470604.db2.gz VNJCRQCKUVLUQL-GFCCVEGCSA-N 1 2 328.391 3.741 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001168287677 1033497682 /nfs/dbraw/zinc/49/76/82/1033497682.db2.gz LOXWVPIOVXXFFA-IBGZPJMESA-N 1 2 345.446 3.542 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001168287677 1033497688 /nfs/dbraw/zinc/49/76/88/1033497688.db2.gz LOXWVPIOVXXFFA-IBGZPJMESA-N 1 2 345.446 3.542 20 0 EHADLO O=C(NCCCC1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000105816859 1033499978 /nfs/dbraw/zinc/49/99/78/1033499978.db2.gz CNTRZJHTQQFCHP-UHFFFAOYSA-N 1 2 335.517 3.546 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000172592782 1033518220 /nfs/dbraw/zinc/51/82/20/1033518220.db2.gz XODCELPWJIPEQA-HNNXBMFYSA-N 1 2 326.465 3.729 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000172592782 1033518231 /nfs/dbraw/zinc/51/82/31/1033518231.db2.gz XODCELPWJIPEQA-HNNXBMFYSA-N 1 2 326.465 3.729 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000057551069 1033545173 /nfs/dbraw/zinc/54/51/73/1033545173.db2.gz DRJMKEPWCZEAQY-OAHLLOKOSA-N 1 2 330.859 3.819 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000057551069 1033545181 /nfs/dbraw/zinc/54/51/81/1033545181.db2.gz DRJMKEPWCZEAQY-OAHLLOKOSA-N 1 2 330.859 3.819 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)cc1 ZINC000044871053 1033547219 /nfs/dbraw/zinc/54/72/19/1033547219.db2.gz JVWIQCWIFRSUGY-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)cc1 ZINC000044871053 1033547233 /nfs/dbraw/zinc/54/72/33/1033547233.db2.gz JVWIQCWIFRSUGY-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000106242519 1033559335 /nfs/dbraw/zinc/55/93/35/1033559335.db2.gz OGOJVYMRCPDNKW-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528394 1033561401 /nfs/dbraw/zinc/56/14/01/1033561401.db2.gz QRLUABFTRVPZIO-JSGCOSHPSA-N 1 2 342.405 3.715 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528394 1033561413 /nfs/dbraw/zinc/56/14/13/1033561413.db2.gz QRLUABFTRVPZIO-JSGCOSHPSA-N 1 2 342.405 3.715 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685565210 1033572007 /nfs/dbraw/zinc/57/20/07/1033572007.db2.gz LFPTVLFCDXSJNB-SFHVURJKSA-N 1 2 349.425 3.839 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449997135 1033573219 /nfs/dbraw/zinc/57/32/19/1033573219.db2.gz SIWWPENBOMRCIM-MOPGFXCFSA-N 1 2 343.515 3.973 20 0 EHADLO CCC/C=C/C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000063692245 1033580408 /nfs/dbraw/zinc/58/04/08/1033580408.db2.gz QVUVGGZWMQPFHY-SNAWJCMRSA-N 1 2 340.389 3.706 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2cccc(F)c2o1 ZINC000608355532 1033630876 /nfs/dbraw/zinc/63/08/76/1033630876.db2.gz REGQZSSOIWCVKF-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000144670019 1033632901 /nfs/dbraw/zinc/63/29/01/1033632901.db2.gz UIDUCPVDRPTXGU-HNNXBMFYSA-N 1 2 330.432 3.518 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000045801674 1033690029 /nfs/dbraw/zinc/69/00/29/1033690029.db2.gz MRZWADQWWSIAQV-UHFFFAOYSA-N 1 2 347.374 3.901 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608409716 1033697550 /nfs/dbraw/zinc/69/75/50/1033697550.db2.gz AHFFUXKHROTGQU-NXHRZFHOSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000081017197 1033714719 /nfs/dbraw/zinc/71/47/19/1033714719.db2.gz IWYNOFOHMRJESQ-INIZCTEOSA-N 1 2 334.423 3.603 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc2occc2c1 ZINC000529281316 1033733547 /nfs/dbraw/zinc/73/35/47/1033733547.db2.gz CYGTYIRWNNELRQ-UHFFFAOYSA-N 1 2 336.395 3.750 20 0 EHADLO CC(C)(CNC(=O)CCCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000132139716 1033751672 /nfs/dbraw/zinc/75/16/72/1033751672.db2.gz QTTKYJUBRBATKQ-UHFFFAOYSA-N 1 2 333.863 3.702 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472351988 1033788248 /nfs/dbraw/zinc/78/82/48/1033788248.db2.gz SAJMPFNIILJPEB-ZWKOTPCHSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472351988 1033788261 /nfs/dbraw/zinc/78/82/61/1033788261.db2.gz SAJMPFNIILJPEB-ZWKOTPCHSA-N 1 2 341.455 3.563 20 0 EHADLO C[C@@H]1CCN(C(=O)C2=C(c3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000450155504 1033819873 /nfs/dbraw/zinc/81/98/73/1033819873.db2.gz ANPFLXVEJRLSEZ-OXQOHEQNSA-N 1 2 335.451 3.930 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000608747601 1033856161 /nfs/dbraw/zinc/85/61/61/1033856161.db2.gz BKASHWXLXOGQNZ-RISCZKNCSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000608747601 1033856176 /nfs/dbraw/zinc/85/61/76/1033856176.db2.gz BKASHWXLXOGQNZ-RISCZKNCSA-N 1 2 337.769 3.761 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608748177 1033859727 /nfs/dbraw/zinc/85/97/27/1033859727.db2.gz JAWNCIIVCMPRAP-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608748177 1033859743 /nfs/dbraw/zinc/85/97/43/1033859743.db2.gz JAWNCIIVCMPRAP-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC2CC(F)(F)C2)c(C)c1 ZINC000450199088 1033880311 /nfs/dbraw/zinc/88/03/11/1033880311.db2.gz TXSOQVPTFXSKOA-QGZVFWFLSA-N 1 2 347.409 3.793 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000608756665 1033886631 /nfs/dbraw/zinc/88/66/31/1033886631.db2.gz GDBOKPDSJIUBNM-YOEHRIQHSA-N 1 2 345.443 3.846 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000608756665 1033886646 /nfs/dbraw/zinc/88/66/46/1033886646.db2.gz GDBOKPDSJIUBNM-YOEHRIQHSA-N 1 2 345.443 3.846 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000929171188 1033913405 /nfs/dbraw/zinc/91/34/05/1033913405.db2.gz GCTBIWOPWDOZGW-SNVBAGLBSA-N 1 2 331.363 3.938 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000929171188 1033913419 /nfs/dbraw/zinc/91/34/19/1033913419.db2.gz GCTBIWOPWDOZGW-SNVBAGLBSA-N 1 2 331.363 3.938 20 0 EHADLO CC(=O)NCc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000658073383 1033914805 /nfs/dbraw/zinc/91/48/05/1033914805.db2.gz NUODQIZGQLHVMO-LJQANCHMSA-N 1 2 346.421 3.679 20 0 EHADLO CCOc1ccccc1OCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785734 1033920073 /nfs/dbraw/zinc/92/00/73/1033920073.db2.gz XXSKBUYEORCDSQ-UHFFFAOYSA-N 1 2 339.395 3.531 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1OC(F)(F)F ZINC000658099051 1033931367 /nfs/dbraw/zinc/93/13/67/1033931367.db2.gz UYVCQAMHWAZRKU-JFGNBEQYSA-N 1 2 326.322 3.533 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000450223026 1033933298 /nfs/dbraw/zinc/93/32/98/1033933298.db2.gz IQXFPTGMZUAITB-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450226569 1033938516 /nfs/dbraw/zinc/93/85/16/1033938516.db2.gz LYMGYAOWUDTLRJ-SNVBAGLBSA-N 1 2 333.304 3.917 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450226569 1033938532 /nfs/dbraw/zinc/93/85/32/1033938532.db2.gz LYMGYAOWUDTLRJ-SNVBAGLBSA-N 1 2 333.304 3.917 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCc1ccsc1 ZINC000595671717 1033944661 /nfs/dbraw/zinc/94/46/61/1033944661.db2.gz BPXKDWACSMZNLY-KRWDZBQOSA-N 1 2 333.453 3.535 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCc1ccsc1 ZINC000595671717 1033944673 /nfs/dbraw/zinc/94/46/73/1033944673.db2.gz BPXKDWACSMZNLY-KRWDZBQOSA-N 1 2 333.453 3.535 20 0 EHADLO Cn1ncc2c1CCC[C@H]2Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450242103 1033944722 /nfs/dbraw/zinc/94/47/22/1033944722.db2.gz NZOAVYHQLNSUOK-OAHLLOKOSA-N 1 2 346.356 3.899 20 0 EHADLO COC(=O)c1sccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599505354 1033966048 /nfs/dbraw/zinc/96/60/48/1033966048.db2.gz NJBYGEDFJWBNRB-UHFFFAOYSA-N 1 2 349.427 3.717 20 0 EHADLO Cc1ccc2c(CC(=O)Nc3cccc(-n4cc[nH+]c4)c3)c[nH]c2c1 ZINC000171029092 1033972103 /nfs/dbraw/zinc/97/21/03/1033972103.db2.gz CPYGYTJMVBFHHP-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO CCC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC(F)(F)CC1 ZINC000612064406 1033983806 /nfs/dbraw/zinc/98/38/06/1033983806.db2.gz WCDPKAXVNIFYNR-UHFFFAOYSA-N 1 2 325.403 3.721 20 0 EHADLO CCC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC(F)(F)CC1 ZINC000612064406 1033983823 /nfs/dbraw/zinc/98/38/23/1033983823.db2.gz WCDPKAXVNIFYNR-UHFFFAOYSA-N 1 2 325.403 3.721 20 0 EHADLO CC(C)(C)C(=O)N1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450247004 1033986676 /nfs/dbraw/zinc/98/66/76/1033986676.db2.gz LXJIOLUQNOTUIQ-UHFFFAOYSA-N 1 2 349.837 3.722 20 0 EHADLO CCCOc1ccc(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212195701 1033987173 /nfs/dbraw/zinc/98/71/73/1033987173.db2.gz VSFYQRUYGQJKIR-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO O=C(c1cnccc1Oc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669700981 1033987560 /nfs/dbraw/zinc/98/75/60/1033987560.db2.gz IVJRPOHGMYOEJD-MRXNPFEDSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(OCc2cccnc2)cc1 ZINC000603881275 1034006837 /nfs/dbraw/zinc/00/68/37/1034006837.db2.gz BHHUOTFPMPMGDP-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885090 1034009958 /nfs/dbraw/zinc/00/99/58/1034009958.db2.gz PUUSANFIRXLOAR-OIISXLGYSA-N 1 2 329.444 3.750 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120649392 1034010509 /nfs/dbraw/zinc/01/05/09/1034010509.db2.gz KBKUVGUTSCFEMZ-WBVHZDCISA-N 1 2 342.464 3.551 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000658160291 1034019084 /nfs/dbraw/zinc/01/90/84/1034019084.db2.gz FHYMPCVQRBGXIY-LLVKDONJSA-N 1 2 346.431 3.670 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586486 1034028026 /nfs/dbraw/zinc/02/80/26/1034028026.db2.gz IUUMCWXCDRDGBA-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586486 1034028036 /nfs/dbraw/zinc/02/80/36/1034028036.db2.gz IUUMCWXCDRDGBA-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870066 1034067182 /nfs/dbraw/zinc/06/71/82/1034067182.db2.gz URZDBHGYINYSQA-INIZCTEOSA-N 1 2 328.460 3.582 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)c1F ZINC000658227877 1034085157 /nfs/dbraw/zinc/08/51/57/1034085157.db2.gz LLYNPMKBOFDNGW-SNVBAGLBSA-N 1 2 344.308 3.979 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000596218008 1034124057 /nfs/dbraw/zinc/12/40/57/1034124057.db2.gz RALWVCZGWVTSSU-NVXWUHKLSA-N 1 2 328.387 3.684 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521157 1034127026 /nfs/dbraw/zinc/12/70/26/1034127026.db2.gz SSSNCITVQGVPEL-BLLLJJGKSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521157 1034127036 /nfs/dbraw/zinc/12/70/36/1034127036.db2.gz SSSNCITVQGVPEL-BLLLJJGKSA-N 1 2 349.887 3.638 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc(CCC(C)C)n2)[C@H](C)C1 ZINC000599707542 1034130955 /nfs/dbraw/zinc/13/09/55/1034130955.db2.gz NIYZUSKTPBCVFB-ZIAGYGMSSA-N 1 2 338.517 3.894 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000596271982 1034140640 /nfs/dbraw/zinc/14/06/40/1034140640.db2.gz WSPCQMBUCJCTJE-SFHVURJKSA-N 1 2 336.435 3.571 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000119377244 1034149219 /nfs/dbraw/zinc/14/92/19/1034149219.db2.gz OBUWLABVLMHZMH-LJQANCHMSA-N 1 2 340.471 3.796 20 0 EHADLO C[C@@H](O)C[C@H](C)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450348046 1034158249 /nfs/dbraw/zinc/15/82/49/1034158249.db2.gz KQIMZKNVBVZRMI-VHSXEESVSA-N 1 2 341.224 3.955 20 0 EHADLO COC[C@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450348875 1034161127 /nfs/dbraw/zinc/16/11/27/1034161127.db2.gz STSVGWXQEAQBIS-JTQLQIEISA-N 1 2 339.208 3.609 20 0 EHADLO CC(=O)c1ccc(C[NH+]2CCN(c3nc4cc(C)ccc4o3)CC2)cc1 ZINC000450364533 1034178342 /nfs/dbraw/zinc/17/83/42/1034178342.db2.gz NHSMGGWVFIZOPQ-UHFFFAOYSA-N 1 2 349.434 3.661 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1O)C12CCC[NH+](CCC1)C2 ZINC000635756526 1034196308 /nfs/dbraw/zinc/19/63/08/1034196308.db2.gz WTZROCJCDYXUEK-UHFFFAOYSA-N 1 2 329.227 3.514 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000119640529 1034216041 /nfs/dbraw/zinc/21/60/41/1034216041.db2.gz XFIQLZMIKAPGCB-YOEHRIQHSA-N 1 2 347.434 3.607 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000119640529 1034216059 /nfs/dbraw/zinc/21/60/59/1034216059.db2.gz XFIQLZMIKAPGCB-YOEHRIQHSA-N 1 2 347.434 3.607 20 0 EHADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529597330 1034237179 /nfs/dbraw/zinc/23/71/79/1034237179.db2.gz GSWDTYXMIGFTLC-LBPRGKRZSA-N 1 2 347.684 3.889 20 0 EHADLO CCOC[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529597330 1034237193 /nfs/dbraw/zinc/23/71/93/1034237193.db2.gz GSWDTYXMIGFTLC-LBPRGKRZSA-N 1 2 347.684 3.889 20 0 EHADLO CC(C)CCn1nc(C[NH2+]Cc2ccc(F)cn2)c2ccccc21 ZINC000529591072 1034249260 /nfs/dbraw/zinc/24/92/60/1034249260.db2.gz FRJIEBFSABAUGI-UHFFFAOYSA-N 1 2 326.419 3.906 20 0 EHADLO CC(C)[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C(C)C ZINC000456298633 1034288990 /nfs/dbraw/zinc/28/89/90/1034288990.db2.gz RUPJHTGXMHDASU-MOPGFXCFSA-N 1 2 325.456 3.684 20 0 EHADLO Cc1ccc2ncc(-c3noc([C@H](CC(C)C)n4cc[nH+]c4)n3)n2c1 ZINC000924072555 1034298816 /nfs/dbraw/zinc/29/88/16/1034298816.db2.gz QPEXXCBRVMHNOR-AWEZNQCLSA-N 1 2 336.399 3.525 20 0 EHADLO O=C(OCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171296183 1034311437 /nfs/dbraw/zinc/31/14/37/1034311437.db2.gz PRNYDPQQTBITFO-UHFFFAOYSA-N 1 2 335.388 3.839 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000450432556 1034320532 /nfs/dbraw/zinc/32/05/32/1034320532.db2.gz HKPKVESFQFTLQA-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000450432556 1034320547 /nfs/dbraw/zinc/32/05/47/1034320547.db2.gz HKPKVESFQFTLQA-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCCc2cc(CC)no2)cs1 ZINC000450443473 1034337613 /nfs/dbraw/zinc/33/76/13/1034337613.db2.gz WDPSQCFMIPZTBU-ZDUSSCGKSA-N 1 2 337.489 3.856 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCc2cc(CC)no2)cs1 ZINC000450443473 1034337624 /nfs/dbraw/zinc/33/76/24/1034337624.db2.gz WDPSQCFMIPZTBU-ZDUSSCGKSA-N 1 2 337.489 3.856 20 0 EHADLO FC(F)(F)C1CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000450448244 1034349468 /nfs/dbraw/zinc/34/94/68/1034349468.db2.gz BKNGZVLEOYZMAC-UHFFFAOYSA-N 1 2 337.389 3.900 20 0 EHADLO Cc1cc(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C)c[nH+]1 ZINC000548880047 1034356160 /nfs/dbraw/zinc/35/61/60/1034356160.db2.gz WYFCRUBUCPREEK-SGTLLEGYSA-N 1 2 329.831 3.831 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299984 1034359810 /nfs/dbraw/zinc/35/98/10/1034359810.db2.gz QHLLIMUQOSFWBU-LSDHHAIUSA-N 1 2 345.240 3.625 20 0 EHADLO OC1(C(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450453974 1034363293 /nfs/dbraw/zinc/36/32/93/1034363293.db2.gz QRBBPYKFOPUETG-UHFFFAOYSA-N 1 2 330.737 3.624 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121055584 1034366128 /nfs/dbraw/zinc/36/61/28/1034366128.db2.gz YJTUQTNLZNHWQZ-OAHLLOKOSA-N 1 2 342.782 3.775 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C)C2 ZINC000456357400 1034376536 /nfs/dbraw/zinc/37/65/36/1034376536.db2.gz XWARVTHJWOTJKG-IIDMSEBBSA-N 1 2 331.504 3.777 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C)CC2 ZINC000456357400 1034376551 /nfs/dbraw/zinc/37/65/51/1034376551.db2.gz XWARVTHJWOTJKG-IIDMSEBBSA-N 1 2 331.504 3.777 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C)C2 ZINC000456357402 1034376865 /nfs/dbraw/zinc/37/68/65/1034376865.db2.gz XWARVTHJWOTJKG-RVKKMQEKSA-N 1 2 331.504 3.777 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C)CC2 ZINC000456357402 1034376880 /nfs/dbraw/zinc/37/68/80/1034376880.db2.gz XWARVTHJWOTJKG-RVKKMQEKSA-N 1 2 331.504 3.777 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c(C)c[nH+]1 ZINC000534324359 1034400411 /nfs/dbraw/zinc/40/04/11/1034400411.db2.gz MYVFDTYDEDOFIP-GOSISDBHSA-N 1 2 327.403 3.922 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000604630980 1034441096 /nfs/dbraw/zinc/44/10/96/1034441096.db2.gz SDCIPIJBESBMHI-NVXWUHKLSA-N 1 2 334.508 3.956 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000604779894 1034491534 /nfs/dbraw/zinc/49/15/34/1034491534.db2.gz JKXUDYUHRGZUTL-QGZVFWFLSA-N 1 2 348.878 3.637 20 0 EHADLO Cc1cc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604757355 1034500321 /nfs/dbraw/zinc/50/03/21/1034500321.db2.gz BQPAITXMOZYDSG-HUUCEWRRSA-N 1 2 344.256 3.815 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@H](n3cccn3)C2)c1 ZINC000450539146 1034514970 /nfs/dbraw/zinc/51/49/70/1034514970.db2.gz JQZUPCYFABNQRD-AWEZNQCLSA-N 1 2 332.329 3.902 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000171655837 1034537334 /nfs/dbraw/zinc/53/73/34/1034537334.db2.gz OYSTXBBYPLRVGK-HNNXBMFYSA-N 1 2 342.487 3.567 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000171655837 1034537337 /nfs/dbraw/zinc/53/73/37/1034537337.db2.gz OYSTXBBYPLRVGK-HNNXBMFYSA-N 1 2 342.487 3.567 20 0 EHADLO CC(C)n1ccc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000604884838 1034546199 /nfs/dbraw/zinc/54/61/99/1034546199.db2.gz NTQVSIKZIOSGDW-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO CC(C)(C)OC(=O)NC1CC(Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000310531415 1034577967 /nfs/dbraw/zinc/57/79/67/1034577967.db2.gz JIWAZKUCIBGORL-UHFFFAOYSA-N 1 2 346.475 3.540 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCc3sccc3C2)C1=O ZINC000604997172 1034584194 /nfs/dbraw/zinc/58/41/94/1034584194.db2.gz VTJZUPJMJURISL-QGZVFWFLSA-N 1 2 344.455 3.749 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCc3sccc3C2)C1=O ZINC000604997172 1034584201 /nfs/dbraw/zinc/58/42/01/1034584201.db2.gz VTJZUPJMJURISL-QGZVFWFLSA-N 1 2 344.455 3.749 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528860 1034647269 /nfs/dbraw/zinc/64/72/69/1034647269.db2.gz WEILJBQKLONHDO-FGTMMUONSA-N 1 2 347.528 3.544 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000605154804 1034651033 /nfs/dbraw/zinc/65/10/33/1034651033.db2.gz BATQJUGKUQCCFP-KRWDZBQOSA-N 1 2 348.418 3.693 20 0 EHADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000605154804 1034651040 /nfs/dbraw/zinc/65/10/40/1034651040.db2.gz BATQJUGKUQCCFP-KRWDZBQOSA-N 1 2 348.418 3.693 20 0 EHADLO c1cc(-c2noc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)co1 ZINC000605153807 1034652187 /nfs/dbraw/zinc/65/21/87/1034652187.db2.gz CBXGFTBOYLOAIM-OAHLLOKOSA-N 1 2 327.409 3.620 20 0 EHADLO c1cc(-c2noc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)n2)co1 ZINC000605153807 1034652188 /nfs/dbraw/zinc/65/21/88/1034652188.db2.gz CBXGFTBOYLOAIM-OAHLLOKOSA-N 1 2 327.409 3.620 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155977 1034654425 /nfs/dbraw/zinc/65/44/25/1034654425.db2.gz FZWJESJVZVASLP-KBXCAEBGSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155977 1034654427 /nfs/dbraw/zinc/65/44/27/1034654427.db2.gz FZWJESJVZVASLP-KBXCAEBGSA-N 1 2 344.455 3.943 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000450667957 1034666120 /nfs/dbraw/zinc/66/61/20/1034666120.db2.gz MGEVYOSDHXUGBQ-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO COc1cc(C)c(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000668767497 1034676716 /nfs/dbraw/zinc/67/67/16/1034676716.db2.gz HGNUBAVZCWPVJM-GXTWGEPZSA-N 1 2 347.377 3.554 20 0 EHADLO COc1cc(C)c(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000668767497 1034676722 /nfs/dbraw/zinc/67/67/22/1034676722.db2.gz HGNUBAVZCWPVJM-GXTWGEPZSA-N 1 2 347.377 3.554 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@@H](c3ccccc3C)C3CC3)no2)c1 ZINC000450691531 1034695456 /nfs/dbraw/zinc/69/54/56/1034695456.db2.gz YNUAOHRJPAKKKS-LJQANCHMSA-N 1 2 334.423 3.989 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000450720081 1034704506 /nfs/dbraw/zinc/70/45/06/1034704506.db2.gz SFUWZRONOPUJGF-GFCCVEGCSA-N 1 2 326.366 3.503 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000450720081 1034704521 /nfs/dbraw/zinc/70/45/21/1034704521.db2.gz SFUWZRONOPUJGF-GFCCVEGCSA-N 1 2 326.366 3.503 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1c(C)cccc1Cl)c1ccccn1 ZINC000450765667 1034759790 /nfs/dbraw/zinc/75/97/90/1034759790.db2.gz RSHYOLBNVWNBGX-SFHVURJKSA-N 1 2 332.831 3.612 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)s1 ZINC000450768298 1034763504 /nfs/dbraw/zinc/76/35/04/1034763504.db2.gz WOOBHKJPPGQCEM-KRWDZBQOSA-N 1 2 346.544 3.908 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2ccc(F)cc2s1 ZINC000605544843 1034771056 /nfs/dbraw/zinc/77/10/56/1034771056.db2.gz GZTVDEIUHYJMHI-UHFFFAOYSA-N 1 2 329.400 3.667 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Oc3ccccc3)cn2)c1 ZINC000669615974 1034781576 /nfs/dbraw/zinc/78/15/76/1034781576.db2.gz NBHBXNZVTKRHQV-UHFFFAOYSA-N 1 2 334.379 3.587 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000456836974 1034782923 /nfs/dbraw/zinc/78/29/23/1034782923.db2.gz KFKMGVQEWYSIOO-KGLIPLIRSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@]3(CCSC3)C2)c1 ZINC000456861001 1034792855 /nfs/dbraw/zinc/79/28/55/1034792855.db2.gz FTDQLRBWHXGSMC-IBGZPJMESA-N 1 2 341.480 3.540 20 0 EHADLO CCn1c(C[NH2+]Cc2nc3c(s2)CCCC3)nc2ccccc21 ZINC000761223213 1034793317 /nfs/dbraw/zinc/79/33/17/1034793317.db2.gz XOFJIMWPPROIDW-UHFFFAOYSA-N 1 2 326.469 3.681 20 0 EHADLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000343819773 1034810413 /nfs/dbraw/zinc/81/04/13/1034810413.db2.gz NQMGYDCSHWRRER-UHFFFAOYSA-N 1 2 349.478 3.697 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000605698735 1034820204 /nfs/dbraw/zinc/82/02/04/1034820204.db2.gz OWZSKYHPAVSPSF-WBVHZDCISA-N 1 2 340.446 3.988 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000605698735 1034820216 /nfs/dbraw/zinc/82/02/16/1034820216.db2.gz OWZSKYHPAVSPSF-WBVHZDCISA-N 1 2 340.446 3.988 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000612349318 1034823962 /nfs/dbraw/zinc/82/39/62/1034823962.db2.gz CPXPDMLOZVUHHG-GBJTYRQASA-N 1 2 343.393 3.661 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601946920 1034830651 /nfs/dbraw/zinc/83/06/51/1034830651.db2.gz DLCHRKCOUVOUPJ-VXGBXAGGSA-N 1 2 334.441 3.985 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601946919 1034830758 /nfs/dbraw/zinc/83/07/58/1034830758.db2.gz DLCHRKCOUVOUPJ-RYUDHWBXSA-N 1 2 334.441 3.985 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450830182 1034833843 /nfs/dbraw/zinc/83/38/43/1034833843.db2.gz RRJIEVAIDOFLTF-GOSISDBHSA-N 1 2 331.485 3.579 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450830182 1034833852 /nfs/dbraw/zinc/83/38/52/1034833852.db2.gz RRJIEVAIDOFLTF-GOSISDBHSA-N 1 2 331.485 3.579 20 0 EHADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1csnn1 ZINC000450843092 1034853007 /nfs/dbraw/zinc/85/30/07/1034853007.db2.gz HQFLPNZERVHYQZ-ORUWWINDSA-N 1 2 327.812 3.511 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000530003017 1034871254 /nfs/dbraw/zinc/87/12/54/1034871254.db2.gz RLKJVNJCBNZUAJ-YESZJQIVSA-N 1 2 337.448 3.666 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530036830 1034889470 /nfs/dbraw/zinc/88/94/70/1034889470.db2.gz GECQJVIQZGVYDV-GUYCJALGSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530036830 1034889476 /nfs/dbraw/zinc/88/94/76/1034889476.db2.gz GECQJVIQZGVYDV-GUYCJALGSA-N 1 2 329.419 3.522 20 0 EHADLO CC[C@H]1C[C@@]1([NH2+]Cc1nc(C(=O)OC)cs1)c1cccc(C)c1 ZINC000450924929 1034950193 /nfs/dbraw/zinc/95/01/93/1034950193.db2.gz WEEACYDXDKSSCO-UGSOOPFHSA-N 1 2 330.453 3.653 20 0 EHADLO Clc1cccnc1C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000375936257 1034965728 /nfs/dbraw/zinc/96/57/28/1034965728.db2.gz ZUHINXLZYIQONY-UHFFFAOYSA-N 1 2 326.831 3.762 20 0 EHADLO O=C1[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)CCN1C1CCCCC1 ZINC000530124420 1034995013 /nfs/dbraw/zinc/99/50/13/1034995013.db2.gz LOEIHAZGCNUEJV-ICSRJNTNSA-N 1 2 338.451 3.892 20 0 EHADLO FC(F)(F)c1ncc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)s1 ZINC000354441253 1035050455 /nfs/dbraw/zinc/05/04/55/1035050455.db2.gz YRLCHAOQHKQPDR-GFCCVEGCSA-N 1 2 332.391 3.553 20 0 EHADLO FC(F)(F)c1ncc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)s1 ZINC000354441253 1035050459 /nfs/dbraw/zinc/05/04/59/1035050459.db2.gz YRLCHAOQHKQPDR-GFCCVEGCSA-N 1 2 332.391 3.553 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000612668575 1035151549 /nfs/dbraw/zinc/15/15/49/1035151549.db2.gz FUJJKSZRZWOBGD-BFYDXBDKSA-N 1 2 345.393 3.556 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(Cl)s1)C2 ZINC000376067426 1035213433 /nfs/dbraw/zinc/21/34/33/1035213433.db2.gz LBVTZYKNSOOMRM-JTQLQIEISA-N 1 2 337.876 3.669 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(Cl)s1)CC2 ZINC000376067426 1035213437 /nfs/dbraw/zinc/21/34/37/1035213437.db2.gz LBVTZYKNSOOMRM-JTQLQIEISA-N 1 2 337.876 3.669 20 0 EHADLO Cc1ccoc1CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000612795580 1035230681 /nfs/dbraw/zinc/23/06/81/1035230681.db2.gz AJBRUUXHCKOPGQ-SFHVURJKSA-N 1 2 337.423 3.502 20 0 EHADLO C[N@@H+](Cc1ccccc1Br)C[C@H]1COc2ccccc2O1 ZINC000612867207 1035269724 /nfs/dbraw/zinc/26/97/24/1035269724.db2.gz HVVMRSJZRARLPR-AWEZNQCLSA-N 1 2 348.240 3.721 20 0 EHADLO C[N@H+](Cc1ccccc1Br)C[C@H]1COc2ccccc2O1 ZINC000612867207 1035269731 /nfs/dbraw/zinc/26/97/31/1035269731.db2.gz HVVMRSJZRARLPR-AWEZNQCLSA-N 1 2 348.240 3.721 20 0 EHADLO CCCSC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000892528357 1035428298 /nfs/dbraw/zinc/42/82/98/1035428298.db2.gz VDBLZWYLMRUWBD-YOEHRIQHSA-N 1 2 333.501 3.639 20 0 EHADLO CN(CCC1CCCCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431768832 1035453109 /nfs/dbraw/zinc/45/31/09/1035453109.db2.gz MRJJVQTUNMGXCK-UHFFFAOYSA-N 1 2 339.483 3.903 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1nc(C(C)(C)C)no1 ZINC000549008161 1035467734 /nfs/dbraw/zinc/46/77/34/1035467734.db2.gz PGGVHQBMNJLOLY-LLVKDONJSA-N 1 2 345.472 3.680 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000157883109 1035504329 /nfs/dbraw/zinc/50/43/29/1035504329.db2.gz CRCATWWTZWJEFL-AWEZNQCLSA-N 1 2 344.842 3.777 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000157883109 1035504338 /nfs/dbraw/zinc/50/43/38/1035504338.db2.gz CRCATWWTZWJEFL-AWEZNQCLSA-N 1 2 344.842 3.777 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[C@@H](F)C1 ZINC000571492776 1035508839 /nfs/dbraw/zinc/50/88/39/1035508839.db2.gz SDBUBLLYEFKRQU-GDBMZVCRSA-N 1 2 342.418 3.899 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000429773463 1035512266 /nfs/dbraw/zinc/51/22/66/1035512266.db2.gz KWPHJSATKQWVOK-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000429773463 1035512279 /nfs/dbraw/zinc/51/22/79/1035512279.db2.gz KWPHJSATKQWVOK-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cnc2ccc(Cl)cn12 ZINC000463494403 1035544794 /nfs/dbraw/zinc/54/47/94/1035544794.db2.gz HENDYJXOSXECKK-UHFFFAOYSA-N 1 2 346.221 3.562 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(Cc2cccc(F)c2)CCC1 ZINC000186086655 1035578340 /nfs/dbraw/zinc/57/83/40/1035578340.db2.gz XZWNXMSYEMVYES-UHFFFAOYSA-N 1 2 341.430 3.552 20 0 EHADLO Cc1nc(C[NH2+]C[C@](C)(O)C(F)(F)F)oc1-c1ccc(Cl)cc1 ZINC000571671157 1035584478 /nfs/dbraw/zinc/58/44/78/1035584478.db2.gz UIMVPZGSXRWYOY-AWEZNQCLSA-N 1 2 348.752 3.706 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000186181649 1035596544 /nfs/dbraw/zinc/59/65/44/1035596544.db2.gz WMZXBWOSJODFHY-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000186181649 1035596555 /nfs/dbraw/zinc/59/65/55/1035596555.db2.gz WMZXBWOSJODFHY-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)CCc3ccccc3F)ccc2[nH+]1 ZINC000463611490 1035680549 /nfs/dbraw/zinc/68/05/49/1035680549.db2.gz KMHXFWRZFINSDZ-ZDUSSCGKSA-N 1 2 325.387 3.989 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(-c3ccccc3)nc2)c(OC)c1 ZINC000613383249 1035708126 /nfs/dbraw/zinc/70/81/26/1035708126.db2.gz FUACMRVRWAKYGW-UHFFFAOYSA-N 1 2 349.434 3.793 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(-c3ccccc3)nc2)c(OC)c1 ZINC000613383249 1035708146 /nfs/dbraw/zinc/70/81/46/1035708146.db2.gz FUACMRVRWAKYGW-UHFFFAOYSA-N 1 2 349.434 3.793 20 0 EHADLO CC(C)c1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000133979122 1035732575 /nfs/dbraw/zinc/73/25/75/1035732575.db2.gz NLMYSVHQCSXLHQ-HNNXBMFYSA-N 1 2 343.496 3.613 20 0 EHADLO CC(C)c1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000133979122 1035732594 /nfs/dbraw/zinc/73/25/94/1035732594.db2.gz NLMYSVHQCSXLHQ-HNNXBMFYSA-N 1 2 343.496 3.613 20 0 EHADLO O=C(Nc1ncc(-c2ccccc2)s1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540850291 1035734932 /nfs/dbraw/zinc/73/49/32/1035734932.db2.gz TUMBURMYARXDKV-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187218868 1035789264 /nfs/dbraw/zinc/78/92/64/1035789264.db2.gz KFHAAHKINBBLNP-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)s1 ZINC000414150270 1035789605 /nfs/dbraw/zinc/78/96/05/1035789605.db2.gz OVHBRHVXZRSAKX-GXTWGEPZSA-N 1 2 345.468 3.552 20 0 EHADLO Cc1ccc(-n2nnnc2SCc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187324895 1035792355 /nfs/dbraw/zinc/79/23/55/1035792355.db2.gz VMHNQDNOULJMBE-UHFFFAOYSA-N 1 2 325.441 3.583 20 0 EHADLO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)C(C)C)Cc1ccoc1 ZINC000588169031 1035794991 /nfs/dbraw/zinc/79/49/91/1035794991.db2.gz OLRYXYITXVOTPG-IBGZPJMESA-N 1 2 328.456 3.658 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)C(C)C)Cc1ccoc1 ZINC000588169031 1035795012 /nfs/dbraw/zinc/79/50/12/1035795012.db2.gz OLRYXYITXVOTPG-IBGZPJMESA-N 1 2 328.456 3.658 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000588169620 1035795590 /nfs/dbraw/zinc/79/55/90/1035795590.db2.gz YHGAKUHVHKLUIG-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000588169620 1035795601 /nfs/dbraw/zinc/79/56/01/1035795601.db2.gz YHGAKUHVHKLUIG-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC2(CCCCC2)CC1 ZINC000588186075 1035809653 /nfs/dbraw/zinc/80/96/53/1035809653.db2.gz JRKDDPPWSSLOQZ-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2s1 ZINC000173998714 1035811250 /nfs/dbraw/zinc/81/12/50/1035811250.db2.gz CUCKWQDFLULLEN-UHFFFAOYSA-N 1 2 347.465 3.790 20 0 EHADLO Fc1ccc([C@@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c(Cl)c1 ZINC000187502028 1035832781 /nfs/dbraw/zinc/83/27/81/1035832781.db2.gz AEDYADVXUFVAAO-KRWDZBQOSA-N 1 2 345.805 3.700 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1cc2n(n1)CCC2 ZINC000414163623 1035835808 /nfs/dbraw/zinc/83/58/08/1035835808.db2.gz NJBORIIDIRUQQJ-HNNXBMFYSA-N 1 2 342.487 3.890 20 0 EHADLO CC(C)(CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000588287125 1035886535 /nfs/dbraw/zinc/88/65/35/1035886535.db2.gz DNMCMBFNVNASFW-UHFFFAOYSA-N 1 2 340.471 3.667 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000535036053 1035916220 /nfs/dbraw/zinc/91/62/20/1035916220.db2.gz JTTBVQLVIKJFSG-GFCCVEGCSA-N 1 2 338.329 3.545 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3cccs3)C(C)C)[nH+]c12 ZINC000588360109 1035921396 /nfs/dbraw/zinc/92/13/96/1035921396.db2.gz VPYHPFCAHJGCSL-UHFFFAOYSA-N 1 2 327.453 3.684 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000588641519 1035938515 /nfs/dbraw/zinc/93/85/15/1035938515.db2.gz RKURSBZVLMKZGA-OAHLLOKOSA-N 1 2 343.496 3.865 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000588641519 1035938521 /nfs/dbraw/zinc/93/85/21/1035938521.db2.gz RKURSBZVLMKZGA-OAHLLOKOSA-N 1 2 343.496 3.865 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000613462334 1035959356 /nfs/dbraw/zinc/95/93/56/1035959356.db2.gz MTBRTXCTGZVPLB-LBPRGKRZSA-N 1 2 329.271 3.684 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000613462334 1035959369 /nfs/dbraw/zinc/95/93/69/1035959369.db2.gz MTBRTXCTGZVPLB-LBPRGKRZSA-N 1 2 329.271 3.684 20 0 EHADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1F ZINC000068422301 1035978428 /nfs/dbraw/zinc/97/84/28/1035978428.db2.gz WXPYQVPRJCASTQ-HNNXBMFYSA-N 1 2 329.419 3.723 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)cs1 ZINC000535084434 1035979247 /nfs/dbraw/zinc/97/92/47/1035979247.db2.gz KCODGQWOUBKVSB-UHFFFAOYSA-N 1 2 340.452 3.920 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)cs1 ZINC000535084434 1035979258 /nfs/dbraw/zinc/97/92/58/1035979258.db2.gz KCODGQWOUBKVSB-UHFFFAOYSA-N 1 2 340.452 3.920 20 0 EHADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1F ZINC000068422304 1035980079 /nfs/dbraw/zinc/98/00/79/1035980079.db2.gz WXPYQVPRJCASTQ-OAHLLOKOSA-N 1 2 329.419 3.723 20 0 EHADLO CCCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163204 1036050618 /nfs/dbraw/zinc/05/06/18/1036050618.db2.gz LFNSCZAQJBJBEU-WMLDXEAASA-N 1 2 328.378 3.546 20 0 EHADLO CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163204 1036050632 /nfs/dbraw/zinc/05/06/32/1036050632.db2.gz LFNSCZAQJBJBEU-WMLDXEAASA-N 1 2 328.378 3.546 20 0 EHADLO CCCc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1C1CCCC1 ZINC000541293108 1036153467 /nfs/dbraw/zinc/15/34/67/1036153467.db2.gz YWMBFPAYWZHKSZ-UHFFFAOYSA-N 1 2 326.444 3.637 20 0 EHADLO C[C@H]1C[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CCCO1 ZINC000170766500 1036214601 /nfs/dbraw/zinc/21/46/01/1036214601.db2.gz CEGOTBWZNFMMMV-ZDUSSCGKSA-N 1 2 336.888 3.998 20 0 EHADLO C[C@H]1C[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CCCO1 ZINC000170766500 1036214618 /nfs/dbraw/zinc/21/46/18/1036214618.db2.gz CEGOTBWZNFMMMV-ZDUSSCGKSA-N 1 2 336.888 3.998 20 0 EHADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457552377 1036247755 /nfs/dbraw/zinc/24/77/55/1036247755.db2.gz HLQCCPVJXJFXRZ-OXQOHEQNSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000175181697 1036266054 /nfs/dbraw/zinc/26/60/54/1036266054.db2.gz YSQOORPGVSKRCC-IRXDYDNUSA-N 1 2 344.503 3.792 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)cc(C)n1)C2 ZINC000535284050 1036279524 /nfs/dbraw/zinc/27/95/24/1036279524.db2.gz OZCGBEADRNZWTK-UHFFFAOYSA-N 1 2 326.440 3.746 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1cc(OC)cc(C)n1)C2 ZINC000535284050 1036279547 /nfs/dbraw/zinc/27/95/47/1036279547.db2.gz OZCGBEADRNZWTK-UHFFFAOYSA-N 1 2 326.440 3.746 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175292445 1036287955 /nfs/dbraw/zinc/28/79/55/1036287955.db2.gz DJGMFRGITCFAFC-DLBZAZTESA-N 1 2 329.469 3.666 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000470370374 1036288787 /nfs/dbraw/zinc/28/87/87/1036288787.db2.gz XPZCWUVWLAEWHG-WBMJQRKESA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000470370374 1036288800 /nfs/dbraw/zinc/28/88/00/1036288800.db2.gz XPZCWUVWLAEWHG-WBMJQRKESA-N 1 2 349.272 3.997 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2coc(-c3ccccc3)n2)cc1OC ZINC000589246898 1036318091 /nfs/dbraw/zinc/31/80/91/1036318091.db2.gz RGFFCMFUIMBHEB-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc1OC ZINC000589246898 1036318116 /nfs/dbraw/zinc/31/81/16/1036318116.db2.gz RGFFCMFUIMBHEB-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000589256369 1036324971 /nfs/dbraw/zinc/32/49/71/1036324971.db2.gz BRUCOMVKNFKWAG-DYVFJYSZSA-N 1 2 330.428 3.612 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000191499851 1036393506 /nfs/dbraw/zinc/39/35/06/1036393506.db2.gz JFMGRSKFAJCGHY-LBPRGKRZSA-N 1 2 344.249 3.596 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000191499851 1036393520 /nfs/dbraw/zinc/39/35/20/1036393520.db2.gz JFMGRSKFAJCGHY-LBPRGKRZSA-N 1 2 344.249 3.596 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1nc(C(C)(C)C)no1 ZINC000191574277 1036416145 /nfs/dbraw/zinc/41/61/45/1036416145.db2.gz URJQUNCPNQUBKP-NSHDSACASA-N 1 2 345.472 3.680 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000170893236 1036422684 /nfs/dbraw/zinc/42/26/84/1036422684.db2.gz LHRGPLZUEFVASP-HNNXBMFYSA-N 1 2 327.403 3.736 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000589464161 1036424694 /nfs/dbraw/zinc/42/46/94/1036424694.db2.gz CVEAPSNQEWQMKT-MRXNPFEDSA-N 1 2 327.472 3.708 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000535384920 1036428925 /nfs/dbraw/zinc/42/89/25/1036428925.db2.gz FWRTVNQVKLSWOY-ZDUSSCGKSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000535384920 1036428933 /nfs/dbraw/zinc/42/89/33/1036428933.db2.gz FWRTVNQVKLSWOY-ZDUSSCGKSA-N 1 2 336.501 3.964 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1cc(Cl)ccc1OC1CCCC1 ZINC000175683476 1036439895 /nfs/dbraw/zinc/43/98/95/1036439895.db2.gz OFPOOKMKTPDCJE-UHFFFAOYSA-N 1 2 347.846 3.678 20 0 EHADLO Cc1cc(OCC(=O)NCc2cc(F)cc(F)c2)c2ccccc2[nH+]1 ZINC000192191599 1036486676 /nfs/dbraw/zinc/48/66/76/1036486676.db2.gz HUXBVJZVFSUHKN-UHFFFAOYSA-N 1 2 342.345 3.517 20 0 EHADLO CC(C)(C)C1CC(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000457775746 1036496427 /nfs/dbraw/zinc/49/64/27/1036496427.db2.gz KPLWJHDMDWJQPI-GTPINHCMSA-N 1 2 343.515 3.998 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457780268 1036501640 /nfs/dbraw/zinc/50/16/40/1036501640.db2.gz SCGDYXPGFGEFQM-STQMWFEESA-N 1 2 343.393 3.514 20 0 EHADLO CC[C@@H](C)[C@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175885423 1036509776 /nfs/dbraw/zinc/50/97/76/1036509776.db2.gz IIKLQLBXJLPJJH-SJORKVTESA-N 1 2 346.519 3.764 20 0 EHADLO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H](C)c1csnn1)CC2 ZINC000414296229 1036510987 /nfs/dbraw/zinc/51/09/87/1036510987.db2.gz GGZSORJDELIGSL-CABZTGNLSA-N 1 2 338.274 3.947 20 0 EHADLO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)c1csnn1)CC2 ZINC000414296227 1036511617 /nfs/dbraw/zinc/51/16/17/1036511617.db2.gz GGZSORJDELIGSL-BXKDBHETSA-N 1 2 338.274 3.947 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000679344920 1036515904 /nfs/dbraw/zinc/51/59/04/1036515904.db2.gz IJLXYJUQRWLRJQ-WDEREUQCSA-N 1 2 338.249 3.599 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)c1csnn1 ZINC000414301351 1036527947 /nfs/dbraw/zinc/52/79/47/1036527947.db2.gz LTFSMMWPIVAJSQ-PELKAZGASA-N 1 2 329.347 3.775 20 0 EHADLO CCCc1nc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)co1 ZINC000572900185 1036532279 /nfs/dbraw/zinc/53/22/79/1036532279.db2.gz XUCLBPCBJAUGEK-OAHLLOKOSA-N 1 2 346.818 3.982 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000572849822 1036535779 /nfs/dbraw/zinc/53/57/79/1036535779.db2.gz JIRUWLTZEAUPDI-UHFFFAOYSA-N 1 2 348.402 3.639 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000572849822 1036535792 /nfs/dbraw/zinc/53/57/92/1036535792.db2.gz JIRUWLTZEAUPDI-UHFFFAOYSA-N 1 2 348.402 3.639 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1c(F)cccc1Br ZINC000192675210 1036536064 /nfs/dbraw/zinc/53/60/64/1036536064.db2.gz DHRKCJFJVFEFKY-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]CCOC(c2ccccc2)c2ccccc2)o1 ZINC000541683062 1036568719 /nfs/dbraw/zinc/56/87/19/1036568719.db2.gz FIPGAZXELAXOIA-HNNXBMFYSA-N 1 2 337.423 3.835 20 0 EHADLO CCn1ncnc1C[N@H+](CCc1ccccc1)Cc1ccc(C)s1 ZINC000193289455 1036586491 /nfs/dbraw/zinc/58/64/91/1036586491.db2.gz RJABYZQUTLCKAK-UHFFFAOYSA-N 1 2 340.496 3.913 20 0 EHADLO CCn1ncnc1C[N@@H+](CCc1ccccc1)Cc1ccc(C)s1 ZINC000193289455 1036586507 /nfs/dbraw/zinc/58/65/07/1036586507.db2.gz RJABYZQUTLCKAK-UHFFFAOYSA-N 1 2 340.496 3.913 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1C ZINC000541718212 1036587632 /nfs/dbraw/zinc/58/76/32/1036587632.db2.gz NOCYUMCDXSGQMC-PBHICJAKSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1C ZINC000541718212 1036587651 /nfs/dbraw/zinc/58/76/51/1036587651.db2.gz NOCYUMCDXSGQMC-PBHICJAKSA-N 1 2 335.444 3.717 20 0 EHADLO Cc1ccccc1CN(C(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000589757419 1036621310 /nfs/dbraw/zinc/62/13/10/1036621310.db2.gz GNPZYDSNBKEQSZ-UHFFFAOYSA-N 1 2 338.455 3.566 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(-c4ccccc4)cn3)[nH+]c12 ZINC000549061291 1036634479 /nfs/dbraw/zinc/63/44/79/1036634479.db2.gz SNJHYEVLQSHOQV-UHFFFAOYSA-N 1 2 342.402 3.886 20 0 EHADLO Cn1ccc(CNc2[nH+]ccc3cccc(C(F)(F)F)c32)cc1=O ZINC001168395822 1036666684 /nfs/dbraw/zinc/66/66/84/1036666684.db2.gz KBDRFSFTLXPKPH-UHFFFAOYSA-N 1 2 333.313 3.564 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000186325880 1036694816 /nfs/dbraw/zinc/69/48/16/1036694816.db2.gz KWQKQZROYKFUKK-UHFFFAOYSA-N 1 2 346.475 3.566 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000186325880 1036694826 /nfs/dbraw/zinc/69/48/26/1036694826.db2.gz KWQKQZROYKFUKK-UHFFFAOYSA-N 1 2 346.475 3.566 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)CCCc2cccnc2)c1 ZINC000457970479 1036698708 /nfs/dbraw/zinc/69/87/08/1036698708.db2.gz YSCWQFUTACEPJB-KRWDZBQOSA-N 1 2 348.450 3.717 20 0 EHADLO CC(C)c1cc(NCc2cnn(CC(F)(F)F)c2)nc(C(C)C)[nH+]1 ZINC000535590623 1036714066 /nfs/dbraw/zinc/71/40/66/1036714066.db2.gz FEFNOVZXQMWXEB-UHFFFAOYSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)(C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000059811644 1036755550 /nfs/dbraw/zinc/75/55/50/1036755550.db2.gz IQOVBMRMFDADDB-UHFFFAOYSA-N 1 2 337.055 3.805 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000541882024 1036759786 /nfs/dbraw/zinc/75/97/86/1036759786.db2.gz GITSYHIIYFROHD-GFCCVEGCSA-N 1 2 347.488 3.571 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769146 1036762118 /nfs/dbraw/zinc/76/21/18/1036762118.db2.gz HSXKSFFENXURER-ABAIWWIYSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769146 1036762136 /nfs/dbraw/zinc/76/21/36/1036762136.db2.gz HSXKSFFENXURER-ABAIWWIYSA-N 1 2 344.883 3.880 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000541922609 1036825216 /nfs/dbraw/zinc/82/52/16/1036825216.db2.gz IUKZNDKJZLNZRA-UHFFFAOYSA-N 1 2 330.432 3.705 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000541922609 1036825228 /nfs/dbraw/zinc/82/52/28/1036825228.db2.gz IUKZNDKJZLNZRA-UHFFFAOYSA-N 1 2 330.432 3.705 20 0 EHADLO FC(F)(F)COc1cc(NCc2nc3c(s2)CCCC3)cc[nH+]1 ZINC000685916090 1036826131 /nfs/dbraw/zinc/82/61/31/1036826131.db2.gz DDZIJUKFWQYOPW-UHFFFAOYSA-N 1 2 343.374 3.970 20 0 EHADLO CCc1nc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc(C)[nH+]1 ZINC000376448185 1036884880 /nfs/dbraw/zinc/88/48/80/1036884880.db2.gz IDUKRWZOQJTLEH-OAHLLOKOSA-N 1 2 349.381 3.527 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccccc1C ZINC000493203655 1036886703 /nfs/dbraw/zinc/88/67/03/1036886703.db2.gz IEOWMQBOCHMBKL-QXMHVHEDSA-N 1 2 325.456 3.706 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccco2)C1 ZINC000464847901 1036892197 /nfs/dbraw/zinc/89/21/97/1036892197.db2.gz HRLSZTGQTFKFGJ-MLGOLLRUSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccco2)C1 ZINC000464847901 1036892208 /nfs/dbraw/zinc/89/22/08/1036892208.db2.gz HRLSZTGQTFKFGJ-MLGOLLRUSA-N 1 2 334.366 3.970 20 0 EHADLO CCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103506809 1036916027 /nfs/dbraw/zinc/91/60/27/1036916027.db2.gz YEPDAPZHNSBTLU-UHFFFAOYSA-N 1 2 348.450 3.808 20 0 EHADLO C[N@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177789836 1036936040 /nfs/dbraw/zinc/93/60/40/1036936040.db2.gz JNMNYNUQQSHTPA-LJQANCHMSA-N 1 2 348.450 3.837 20 0 EHADLO C[N@@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177789836 1036936055 /nfs/dbraw/zinc/93/60/55/1036936055.db2.gz JNMNYNUQQSHTPA-LJQANCHMSA-N 1 2 348.450 3.837 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000462418632 1036936098 /nfs/dbraw/zinc/93/60/98/1036936098.db2.gz ZQKQORBDQYDMLQ-KZNAEPCWSA-N 1 2 341.499 3.773 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)n1 ZINC000590599988 1036963617 /nfs/dbraw/zinc/96/36/17/1036963617.db2.gz IPAYVIJJIFVQAC-KBPBESRZSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccccn3)C2)n1 ZINC000590599988 1036963628 /nfs/dbraw/zinc/96/36/28/1036963628.db2.gz IPAYVIJJIFVQAC-KBPBESRZSA-N 1 2 332.473 3.658 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@](=O)C1 ZINC000590652457 1036992389 /nfs/dbraw/zinc/99/23/89/1036992389.db2.gz AYINPRAQLNFQAL-OWJWWREXSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@](=O)C1 ZINC000590652457 1036992399 /nfs/dbraw/zinc/99/23/99/1036992399.db2.gz AYINPRAQLNFQAL-OWJWWREXSA-N 1 2 347.455 3.818 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](CC)c2nc(C(F)(F)F)cs2)cn1 ZINC000414364960 1037000949 /nfs/dbraw/zinc/00/09/49/1037000949.db2.gz NJJGOTMCQWHRRP-JTQLQIEISA-N 1 2 330.379 3.755 20 0 EHADLO CCn1c2ccccc2c2cc(NC(=O)Cc3c[nH+]cn3C)ccc21 ZINC000186772411 1037006615 /nfs/dbraw/zinc/00/66/15/1037006615.db2.gz NZJNFKLUSPMMQC-UHFFFAOYSA-N 1 2 332.407 3.729 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000590700545 1037016429 /nfs/dbraw/zinc/01/64/29/1037016429.db2.gz KJOKYZUYARMOIJ-QGZVFWFLSA-N 1 2 330.453 3.685 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000590700545 1037016444 /nfs/dbraw/zinc/01/64/44/1037016444.db2.gz KJOKYZUYARMOIJ-QGZVFWFLSA-N 1 2 330.453 3.685 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000178354841 1037028563 /nfs/dbraw/zinc/02/85/63/1037028563.db2.gz PRCMMZVYEGMWKR-VQTJNVASSA-N 1 2 341.414 3.907 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1F ZINC000186813624 1037030498 /nfs/dbraw/zinc/03/04/98/1037030498.db2.gz HOFACSJYTQPOID-LBPRGKRZSA-N 1 2 336.407 3.988 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)NCc1ccn2cc[nH+]c2c1 ZINC000178377527 1037033046 /nfs/dbraw/zinc/03/30/46/1037033046.db2.gz AKDLLAGMDJIASV-UHFFFAOYSA-N 1 2 329.403 3.737 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC1 ZINC000178375490 1037034201 /nfs/dbraw/zinc/03/42/01/1037034201.db2.gz DMNXCPAZUFARJJ-CYBMUJFWSA-N 1 2 341.480 3.686 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC1 ZINC000178375490 1037034218 /nfs/dbraw/zinc/03/42/18/1037034218.db2.gz DMNXCPAZUFARJJ-CYBMUJFWSA-N 1 2 341.480 3.686 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733387 1037034491 /nfs/dbraw/zinc/03/44/91/1037034491.db2.gz USAZIHXZNOTSLA-SJORKVTESA-N 1 2 341.455 3.639 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000590788975 1037053722 /nfs/dbraw/zinc/05/37/22/1037053722.db2.gz NTYHAQUCALPQKO-OAHLLOKOSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000590788975 1037053739 /nfs/dbraw/zinc/05/37/39/1037053739.db2.gz NTYHAQUCALPQKO-OAHLLOKOSA-N 1 2 337.261 3.570 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1nc(-c3ccsc3)no1)C2 ZINC000590789807 1037061207 /nfs/dbraw/zinc/06/12/07/1037061207.db2.gz QAKPVWDTVFNITQ-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1nc(-c3ccsc3)no1)C2 ZINC000590789807 1037061231 /nfs/dbraw/zinc/06/12/31/1037061231.db2.gz QAKPVWDTVFNITQ-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000470947092 1037064774 /nfs/dbraw/zinc/06/47/74/1037064774.db2.gz PCCHYPNBWRBKCK-WPRPVWTQSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000470947092 1037064791 /nfs/dbraw/zinc/06/47/91/1037064791.db2.gz PCCHYPNBWRBKCK-WPRPVWTQSA-N 1 2 338.732 3.690 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCCC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000590836084 1037072112 /nfs/dbraw/zinc/07/21/12/1037072112.db2.gz IGKKIGCOXFNZEJ-UHFFFAOYSA-N 1 2 335.448 3.640 20 0 EHADLO CC[N@H+](Cc1nc(Cc2nc(-c3ccccc3)oc2C)no1)C1CC1 ZINC000761501228 1037075683 /nfs/dbraw/zinc/07/56/83/1037075683.db2.gz ZSWPDRXKWYSGBQ-UHFFFAOYSA-N 1 2 338.411 3.608 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2nc(-c3ccccc3)oc2C)no1)C1CC1 ZINC000761501228 1037075703 /nfs/dbraw/zinc/07/57/03/1037075703.db2.gz ZSWPDRXKWYSGBQ-UHFFFAOYSA-N 1 2 338.411 3.608 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000170883976 1037088108 /nfs/dbraw/zinc/08/81/08/1037088108.db2.gz NYPZNQMLQIREPN-GOSISDBHSA-N 1 2 326.444 3.771 20 0 EHADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000465065758 1037102820 /nfs/dbraw/zinc/10/28/20/1037102820.db2.gz KCARJXVFSFJDGY-UKRRQHHQSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590863048 1037105722 /nfs/dbraw/zinc/10/57/22/1037105722.db2.gz XBIJVSKFUQXTCS-SFHVURJKSA-N 1 2 340.471 3.516 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715460 1037113140 /nfs/dbraw/zinc/11/31/40/1037113140.db2.gz BMQPZGGZLLFYGK-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715460 1037113146 /nfs/dbraw/zinc/11/31/46/1037113146.db2.gz BMQPZGGZLLFYGK-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731752 1037132676 /nfs/dbraw/zinc/13/26/76/1037132676.db2.gz HXXGYXOZGAVHJX-XHBSWPGZSA-N 1 2 342.405 3.619 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731752 1037132681 /nfs/dbraw/zinc/13/26/81/1037132681.db2.gz HXXGYXOZGAVHJX-XHBSWPGZSA-N 1 2 342.405 3.619 20 0 EHADLO CC(C)(C)C[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000590943229 1037134590 /nfs/dbraw/zinc/13/45/90/1037134590.db2.gz GMFIBNOSHDHXGA-UHFFFAOYSA-N 1 2 349.482 3.770 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000590943229 1037134594 /nfs/dbraw/zinc/13/45/94/1037134594.db2.gz GMFIBNOSHDHXGA-UHFFFAOYSA-N 1 2 349.482 3.770 20 0 EHADLO Cc1cccc([C@H](CNc2nc3ccccc3o2)[NH+]2CCOCC2)c1 ZINC000029626761 1037189068 /nfs/dbraw/zinc/18/90/68/1037189068.db2.gz HFHCOGUPFTYJGG-SFHVURJKSA-N 1 2 337.423 3.622 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000542276754 1037233532 /nfs/dbraw/zinc/23/35/32/1037233532.db2.gz CNKGIJXLILBAFX-PBHICJAKSA-N 1 2 337.435 3.709 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000542276754 1037233543 /nfs/dbraw/zinc/23/35/43/1037233543.db2.gz CNKGIJXLILBAFX-PBHICJAKSA-N 1 2 337.435 3.709 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)n1 ZINC000376502860 1037307021 /nfs/dbraw/zinc/30/70/21/1037307021.db2.gz RBTHLCLAHJGPKI-BEFAXECRSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)n1 ZINC000376502860 1037307032 /nfs/dbraw/zinc/30/70/32/1037307032.db2.gz RBTHLCLAHJGPKI-BEFAXECRSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414395571 1037318290 /nfs/dbraw/zinc/31/82/90/1037318290.db2.gz NCZZRHFHXOBPQJ-AWEZNQCLSA-N 1 2 337.510 3.523 20 0 EHADLO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414395571 1037318293 /nfs/dbraw/zinc/31/82/93/1037318293.db2.gz NCZZRHFHXOBPQJ-AWEZNQCLSA-N 1 2 337.510 3.523 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Nc3ccccc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000573169469 1037359907 /nfs/dbraw/zinc/35/99/07/1037359907.db2.gz GDBZJDLWNCRWLT-IAGOWNOFSA-N 1 2 343.496 3.698 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Nc3ccccc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000573169469 1037359922 /nfs/dbraw/zinc/35/99/22/1037359922.db2.gz GDBZJDLWNCRWLT-IAGOWNOFSA-N 1 2 343.496 3.698 20 0 EHADLO C[C@H](c1nncn1C)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000376511938 1037362386 /nfs/dbraw/zinc/36/23/86/1037362386.db2.gz PPBUUUHAAOBQQB-GFCCVEGCSA-N 1 2 336.361 3.684 20 0 EHADLO C[C@H](c1nncn1C)[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000376511938 1037362397 /nfs/dbraw/zinc/36/23/97/1037362397.db2.gz PPBUUUHAAOBQQB-GFCCVEGCSA-N 1 2 336.361 3.684 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2[nH+]1 ZINC000591471650 1037419086 /nfs/dbraw/zinc/41/90/86/1037419086.db2.gz YYVCRTOBWSNVHS-UHFFFAOYSA-N 1 2 329.400 3.882 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2c(F)cccc2F)no1)c1ccccc1 ZINC000516681576 1037458537 /nfs/dbraw/zinc/45/85/37/1037458537.db2.gz PPDMPBVLMQUQLV-QGZVFWFLSA-N 1 2 329.350 3.590 20 0 EHADLO CC(C)Oc1ncccc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000573334953 1037470898 /nfs/dbraw/zinc/47/08/98/1037470898.db2.gz AQAZOZMJMXSYSZ-MRXNPFEDSA-N 1 2 347.846 3.764 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000152653971 1037491741 /nfs/dbraw/zinc/49/17/41/1037491741.db2.gz QUBVUZRVZIKNMS-RYUDHWBXSA-N 1 2 329.366 3.763 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000493624031 1037497311 /nfs/dbraw/zinc/49/73/11/1037497311.db2.gz RURAZFMXQSQIGC-AATRIKPKSA-N 1 2 347.821 3.650 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)cc1C ZINC000760841859 1037514395 /nfs/dbraw/zinc/51/43/95/1037514395.db2.gz AMRUOLUJXJVDCZ-INIZCTEOSA-N 1 2 325.456 3.880 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)cc1C ZINC000760841859 1037514407 /nfs/dbraw/zinc/51/44/07/1037514407.db2.gz AMRUOLUJXJVDCZ-INIZCTEOSA-N 1 2 325.456 3.880 20 0 EHADLO CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505376 1037533962 /nfs/dbraw/zinc/53/39/62/1037533962.db2.gz HAEDRWSLPJXDFU-UONOGXRCSA-N 1 2 330.925 3.535 20 0 EHADLO COCc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000187779247 1037534228 /nfs/dbraw/zinc/53/42/28/1037534228.db2.gz QQMQWCNUKPAHOH-SFHVURJKSA-N 1 2 325.387 3.574 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)nc2ccccc12 ZINC000532492778 1037538344 /nfs/dbraw/zinc/53/83/44/1037538344.db2.gz ZMHXAVBNQMSHTO-ZDUSSCGKSA-N 1 2 338.430 3.994 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(c1ccccc1)C1CCC1 ZINC000913673694 1037548060 /nfs/dbraw/zinc/54/80/60/1037548060.db2.gz OYTSXPUJJGQAMC-OAHLLOKOSA-N 1 2 337.345 3.962 20 0 EHADLO O=C(/C=C/c1cccnc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000493699459 1037568071 /nfs/dbraw/zinc/56/80/71/1037568071.db2.gz WABUUZDZBVZCQA-MDZDMXLPSA-N 1 2 344.418 3.933 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]CC1CCC(C(C)C)CC1 ZINC000573486813 1037581704 /nfs/dbraw/zinc/58/17/04/1037581704.db2.gz RUYOUTYEJGIWDB-TVPLGVNVSA-N 1 2 332.488 3.608 20 0 EHADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000573491839 1037584012 /nfs/dbraw/zinc/58/40/12/1037584012.db2.gz JVDHOAURHNKHAR-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000573503913 1037588637 /nfs/dbraw/zinc/58/86/37/1037588637.db2.gz SIYTYRAYCIHLPX-FXAWDEMLSA-N 1 2 339.483 3.992 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000573503913 1037588656 /nfs/dbraw/zinc/58/86/56/1037588656.db2.gz SIYTYRAYCIHLPX-FXAWDEMLSA-N 1 2 339.483 3.992 20 0 EHADLO Cc1scc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1C ZINC000573501325 1037590410 /nfs/dbraw/zinc/59/04/10/1037590410.db2.gz GAIOSMBGQBTFCA-SHTZXODSSA-N 1 2 329.469 3.913 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000303590986 1037590538 /nfs/dbraw/zinc/59/05/38/1037590538.db2.gz VCIJDDOIHCYVGM-QGZVFWFLSA-N 1 2 343.515 3.589 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc2c(cn1)CCCC2)c1cccc(Cl)c1 ZINC000462984750 1037600054 /nfs/dbraw/zinc/60/00/54/1037600054.db2.gz BWHWVAUWWVHDFT-SFHVURJKSA-N 1 2 343.858 3.855 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1F ZINC000107180227 1037621189 /nfs/dbraw/zinc/62/11/89/1037621189.db2.gz XHFNTGIWTHCBJR-UHFFFAOYSA-N 1 2 327.403 3.531 20 0 EHADLO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493802796 1037643188 /nfs/dbraw/zinc/64/31/88/1037643188.db2.gz LGLRAHYJGYCTLX-VMZHVLLKSA-N 1 2 336.222 3.876 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cnc2ccccc2n1 ZINC000463059854 1037715993 /nfs/dbraw/zinc/71/59/93/1037715993.db2.gz SDUKGWHKMLGDLM-UHFFFAOYSA-N 1 2 347.466 3.768 20 0 EHADLO Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000152844187 1037771759 /nfs/dbraw/zinc/77/17/59/1037771759.db2.gz ZAWOXGSNVXJYKW-UHFFFAOYSA-N 1 2 341.383 3.680 20 0 EHADLO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001168232575 1037835351 /nfs/dbraw/zinc/83/53/51/1037835351.db2.gz CEUPLLDHBYFDDZ-HIFRSBDPSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC001168232575 1037835369 /nfs/dbraw/zinc/83/53/69/1037835369.db2.gz CEUPLLDHBYFDDZ-HIFRSBDPSA-N 1 2 327.346 3.651 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074885 1037840781 /nfs/dbraw/zinc/84/07/81/1037840781.db2.gz JQCZPVSLACPLFH-INIZCTEOSA-N 1 2 347.846 3.627 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074885 1037840802 /nfs/dbraw/zinc/84/08/02/1037840802.db2.gz JQCZPVSLACPLFH-INIZCTEOSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000492046641 1037899268 /nfs/dbraw/zinc/89/92/68/1037899268.db2.gz WWNWKYJNPUICHT-DJWKRKHSSA-N 1 2 343.736 3.720 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc(OC(F)F)c1 ZINC000271460669 1037906553 /nfs/dbraw/zinc/90/65/53/1037906553.db2.gz KEHPOVAVAQCUOC-ZUZCIYMTSA-N 1 2 343.320 3.950 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000540424480 1037930617 /nfs/dbraw/zinc/93/06/17/1037930617.db2.gz CKMKMWQWATXXQV-SFHVURJKSA-N 1 2 331.439 3.633 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccccc1 ZINC000784396651 1037933815 /nfs/dbraw/zinc/93/38/15/1037933815.db2.gz BHOLMBCOPNTLMO-LJQANCHMSA-N 1 2 331.460 3.530 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccccc1 ZINC000784396651 1037933834 /nfs/dbraw/zinc/93/38/34/1037933834.db2.gz BHOLMBCOPNTLMO-LJQANCHMSA-N 1 2 331.460 3.530 20 0 EHADLO CCCC[C@@](CC)([NH2+][C@@H]1Cc2ccc(OC)cc2C1)C(=O)OCC ZINC001168242609 1037942219 /nfs/dbraw/zinc/94/22/19/1037942219.db2.gz CMIWSRSJRARKAU-YLJYHZDGSA-N 1 2 333.472 3.654 20 0 EHADLO Brc1cncc(C[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000183719609 1037964418 /nfs/dbraw/zinc/96/44/18/1037964418.db2.gz FRUYJNKVXKCOIX-UHFFFAOYSA-N 1 2 344.212 3.789 20 0 EHADLO Cc1[nH]c(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000929614028 1037973608 /nfs/dbraw/zinc/97/36/08/1037973608.db2.gz LLLRASHOMWJGHL-UHFFFAOYSA-N 1 2 342.270 3.718 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123544207 1038034795 /nfs/dbraw/zinc/03/47/95/1038034795.db2.gz FOMOTEGCWZIZNE-XLIONFOSSA-N 1 2 339.483 3.734 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000492146567 1038037070 /nfs/dbraw/zinc/03/70/70/1038037070.db2.gz TUIFRLFCOUGFHV-SCYVGKGRSA-N 1 2 329.831 3.659 20 0 EHADLO CCc1nc(C[NH2+][C@H](COc2c(C)cccc2C)C(C)(C)C)no1 ZINC000540524229 1038051110 /nfs/dbraw/zinc/05/11/10/1038051110.db2.gz ACJDRFOGOVTYMZ-OAHLLOKOSA-N 1 2 331.460 3.832 20 0 EHADLO COc1ccc2oc([C@H](C)NC(=O)CCCn3cc[nH+]c3)c(C)c2c1 ZINC000592643038 1038076519 /nfs/dbraw/zinc/07/65/19/1038076519.db2.gz JGNKDCJDXJFGHK-AWEZNQCLSA-N 1 2 341.411 3.604 20 0 EHADLO S=C1OCCN1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000058538950 1038093730 /nfs/dbraw/zinc/09/37/30/1038093730.db2.gz HWQJALIASCCFLS-UHFFFAOYSA-N 1 2 331.268 3.532 20 0 EHADLO S=C1OCCN1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000058538950 1038093741 /nfs/dbraw/zinc/09/37/41/1038093741.db2.gz HWQJALIASCCFLS-UHFFFAOYSA-N 1 2 331.268 3.532 20 0 EHADLO CCC1(CC)[C@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C[C@@H]1OC ZINC000540591039 1038119912 /nfs/dbraw/zinc/11/99/12/1038119912.db2.gz DKKCSBUNHXPPBD-OIISXLGYSA-N 1 2 343.471 3.905 20 0 EHADLO C[N@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc2c(c1)OCO2 ZINC000041646252 1038136229 /nfs/dbraw/zinc/13/62/29/1038136229.db2.gz PTIMBKLCSPWFOS-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc2c(c1)OCO2 ZINC000041646252 1038136243 /nfs/dbraw/zinc/13/62/43/1038136243.db2.gz PTIMBKLCSPWFOS-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc(F)ccc2F)s1 ZINC000106877564 1038237465 /nfs/dbraw/zinc/23/74/65/1038237465.db2.gz YWOPEYYWMXOEOQ-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(F)ccc2F)s1 ZINC000106877564 1038237470 /nfs/dbraw/zinc/23/74/70/1038237470.db2.gz YWOPEYYWMXOEOQ-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124927668 1038255465 /nfs/dbraw/zinc/25/54/65/1038255465.db2.gz PBXRNIWJZHEZJR-SJLPKXTDSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1cn2cc(NC(=O)CCCOCCc3ccccc3)ccc2[nH+]1 ZINC000339115818 1038333980 /nfs/dbraw/zinc/33/39/80/1038333980.db2.gz DVRHINNNQSPFSU-UHFFFAOYSA-N 1 2 337.423 3.621 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000181520607 1038434487 /nfs/dbraw/zinc/43/44/87/1038434487.db2.gz SQRUUYAWMYFXMO-LJQANCHMSA-N 1 2 349.430 3.545 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000181520607 1038434493 /nfs/dbraw/zinc/43/44/93/1038434493.db2.gz SQRUUYAWMYFXMO-LJQANCHMSA-N 1 2 349.430 3.545 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728745585 1038500040 /nfs/dbraw/zinc/50/00/40/1038500040.db2.gz FGYVVHJYMIBFDV-GOEBONIOSA-N 1 2 346.862 3.514 20 0 EHADLO CCCn1cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000538736104 1038500200 /nfs/dbraw/zinc/50/02/00/1038500200.db2.gz ZLJXRHHAWPAXCJ-PXNSSMCTSA-N 1 2 327.472 3.872 20 0 EHADLO CCCn1cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000538736104 1038500208 /nfs/dbraw/zinc/50/02/08/1038500208.db2.gz ZLJXRHHAWPAXCJ-PXNSSMCTSA-N 1 2 327.472 3.872 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccsc3C2)c(OC(F)F)c1 ZINC000538736700 1038500567 /nfs/dbraw/zinc/50/05/67/1038500567.db2.gz XRFMORLFEIXXCF-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccsc3C2)c(OC(F)F)c1 ZINC000538736700 1038500572 /nfs/dbraw/zinc/50/05/72/1038500572.db2.gz XRFMORLFEIXXCF-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1OCc1ccccc1 ZINC000538726423 1038507646 /nfs/dbraw/zinc/50/76/46/1038507646.db2.gz RESPZEAEHLYSPK-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1OCc1ccccc1 ZINC000538726423 1038507650 /nfs/dbraw/zinc/50/76/50/1038507650.db2.gz RESPZEAEHLYSPK-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO FC(F)(F)[C@H]1C[NH+](Cc2cnc3ccccc3n2)C[C@@H]1C(F)(F)F ZINC000659968877 1038546579 /nfs/dbraw/zinc/54/65/79/1038546579.db2.gz CURIYJSONYFAFS-QWRGUYRKSA-N 1 2 349.278 3.802 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000378391862 1038575509 /nfs/dbraw/zinc/57/55/09/1038575509.db2.gz DTCBRGBUROHJDK-HXUWFJFHSA-N 1 2 339.414 3.837 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nsc3ccccc32)[C@@H](CC)CN1C(C)=O ZINC000659977252 1038591649 /nfs/dbraw/zinc/59/16/49/1038591649.db2.gz LTZQLRANEWUTLR-GJZGRUSLSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nsc3ccccc32)[C@@H](CC)CN1C(C)=O ZINC000659977252 1038591654 /nfs/dbraw/zinc/59/16/54/1038591654.db2.gz LTZQLRANEWUTLR-GJZGRUSLSA-N 1 2 331.485 3.518 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCc3c(F)cc(Br)cc3C2)CO1 ZINC000660000843 1038663668 /nfs/dbraw/zinc/66/36/68/1038663668.db2.gz IRJXKWHDMMQUES-GFCCVEGCSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCc3c(F)cc(Br)cc3C2)CO1 ZINC000660000843 1038663673 /nfs/dbraw/zinc/66/36/73/1038663673.db2.gz IRJXKWHDMMQUES-GFCCVEGCSA-N 1 2 328.225 3.514 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539095176 1038681327 /nfs/dbraw/zinc/68/13/27/1038681327.db2.gz NNLMEKLJZALVQG-HOTGVXAUSA-N 1 2 341.858 3.570 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539095176 1038681330 /nfs/dbraw/zinc/68/13/30/1038681330.db2.gz NNLMEKLJZALVQG-HOTGVXAUSA-N 1 2 341.858 3.570 20 0 EHADLO CC(C)(CNC(=O)c1cc(Cl)cc2ccccc21)n1cc[nH+]c1 ZINC001168360156 1038768559 /nfs/dbraw/zinc/76/85/59/1038768559.db2.gz WOGNULUPKYIRLT-UHFFFAOYSA-N 1 2 327.815 3.855 20 0 EHADLO CCC[N@H+](Cc1ccnn1CC1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000667567439 1038785121 /nfs/dbraw/zinc/78/51/21/1038785121.db2.gz ZEWJNEYVSOWNNF-MRXNPFEDSA-N 1 2 340.471 3.532 20 0 EHADLO CCC[N@@H+](Cc1ccnn1CC1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000667567439 1038785142 /nfs/dbraw/zinc/78/51/42/1038785142.db2.gz ZEWJNEYVSOWNNF-MRXNPFEDSA-N 1 2 340.471 3.532 20 0 EHADLO CCCn1nccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000667564620 1038797244 /nfs/dbraw/zinc/79/72/44/1038797244.db2.gz RZQWJKPLCRDKGV-IBGZPJMESA-N 1 2 331.435 3.613 20 0 EHADLO CCCn1nccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000667564620 1038797261 /nfs/dbraw/zinc/79/72/61/1038797261.db2.gz RZQWJKPLCRDKGV-IBGZPJMESA-N 1 2 331.435 3.613 20 0 EHADLO COc1ccccc1Nc1nn(C[N@@H+]2CCC[C@H]2C)c(=S)s1 ZINC000173518435 1038797396 /nfs/dbraw/zinc/79/73/96/1038797396.db2.gz UAWGFCXHBRFMRA-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO COc1ccccc1Nc1nn(C[N@H+]2CCC[C@H]2C)c(=S)s1 ZINC000173518435 1038797409 /nfs/dbraw/zinc/79/74/09/1038797409.db2.gz UAWGFCXHBRFMRA-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1Cl ZINC000539354542 1038829013 /nfs/dbraw/zinc/82/90/13/1038829013.db2.gz UJYNTQIKUBJDRF-UHFFFAOYSA-N 1 2 345.752 3.766 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905382085 1038837082 /nfs/dbraw/zinc/83/70/82/1038837082.db2.gz QDKZJCWMVDVZQG-HKUYNNGSSA-N 1 2 349.421 3.551 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1c(F)cccc1Cl ZINC000539378722 1038869523 /nfs/dbraw/zinc/86/95/23/1038869523.db2.gz FHAZHIPGGPPCHA-HUBLWGQQSA-N 1 2 326.843 3.825 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000660067647 1038882426 /nfs/dbraw/zinc/88/24/26/1038882426.db2.gz DUNUYPAFTZBYMI-IAGOWNOFSA-N 1 2 349.272 3.592 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000660067647 1038882444 /nfs/dbraw/zinc/88/24/44/1038882444.db2.gz DUNUYPAFTZBYMI-IAGOWNOFSA-N 1 2 349.272 3.592 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2sccc2C2CC2)[C@H](c2ccccc2)C1 ZINC000432718278 1038907654 /nfs/dbraw/zinc/90/76/54/1038907654.db2.gz NCQAJUWEUXNHNP-KRWDZBQOSA-N 1 2 326.465 3.754 20 0 EHADLO C[N@H+]1CCN(C(=O)c2sccc2C2CC2)[C@H](c2ccccc2)C1 ZINC000432718278 1038907664 /nfs/dbraw/zinc/90/76/64/1038907664.db2.gz NCQAJUWEUXNHNP-KRWDZBQOSA-N 1 2 326.465 3.754 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432741822 1038978065 /nfs/dbraw/zinc/97/80/65/1038978065.db2.gz JVXFABDUONJZRW-UHFFFAOYSA-N 1 2 333.234 3.575 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc2ccccc2[nH]1 ZINC000552228595 1039083808 /nfs/dbraw/zinc/08/38/08/1039083808.db2.gz GWORBHSQOFRULQ-WKILWMFISA-N 1 2 334.423 3.716 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000477996312 1039107375 /nfs/dbraw/zinc/10/73/75/1039107375.db2.gz CXFHLONNHGVYAR-RHSMWYFYSA-N 1 2 327.428 3.919 20 0 EHADLO CC[C@@](O)(C[N@H+](C)[C@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897850 1039170440 /nfs/dbraw/zinc/17/04/40/1039170440.db2.gz DWCMKZUJHRGEEW-QMTHXVAHSA-N 1 2 332.391 3.993 20 0 EHADLO CC[C@@](O)(C[N@@H+](C)[C@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897850 1039170455 /nfs/dbraw/zinc/17/04/55/1039170455.db2.gz DWCMKZUJHRGEEW-QMTHXVAHSA-N 1 2 332.391 3.993 20 0 EHADLO CC[C@](O)(C[N@H+](C)[C@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897851 1039171473 /nfs/dbraw/zinc/17/14/73/1039171473.db2.gz DWCMKZUJHRGEEW-YGRLFVJLSA-N 1 2 332.391 3.993 20 0 EHADLO CC[C@](O)(C[N@@H+](C)[C@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897851 1039171477 /nfs/dbraw/zinc/17/14/77/1039171477.db2.gz DWCMKZUJHRGEEW-YGRLFVJLSA-N 1 2 332.391 3.993 20 0 EHADLO FC(F)C(F)(F)COCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554307717 1039208023 /nfs/dbraw/zinc/20/80/23/1039208023.db2.gz WEEPGPDZXNNDTF-UHFFFAOYSA-N 1 2 344.352 3.764 20 0 EHADLO FC(F)C(F)(F)COCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554307717 1039208038 /nfs/dbraw/zinc/20/80/38/1039208038.db2.gz WEEPGPDZXNNDTF-UHFFFAOYSA-N 1 2 344.352 3.764 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000614057697 1039220090 /nfs/dbraw/zinc/22/00/90/1039220090.db2.gz ZSZSKBXGKSSEBR-QRVBRYPASA-N 1 2 343.430 3.702 20 0 EHADLO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000294148847 1039231508 /nfs/dbraw/zinc/23/15/08/1039231508.db2.gz RKCDVVURIQDZKL-GOSISDBHSA-N 1 2 333.863 3.769 20 0 EHADLO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000294148847 1039231518 /nfs/dbraw/zinc/23/15/18/1039231518.db2.gz RKCDVVURIQDZKL-GOSISDBHSA-N 1 2 333.863 3.769 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)s1 ZINC000488549762 1039263288 /nfs/dbraw/zinc/26/32/88/1039263288.db2.gz OHFMGXCPISNXSB-QGZVFWFLSA-N 1 2 348.899 3.816 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000439001953 1039294551 /nfs/dbraw/zinc/29/45/51/1039294551.db2.gz DEVCOAHDIPKTTQ-LJQANCHMSA-N 1 2 335.455 3.882 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000439001953 1039294569 /nfs/dbraw/zinc/29/45/69/1039294569.db2.gz DEVCOAHDIPKTTQ-LJQANCHMSA-N 1 2 335.455 3.882 20 0 EHADLO Cc1cn2cc(-c3cc(F)ccc3OC[C@H]3CCOC3)ccc2[nH+]1 ZINC000906160334 1039328215 /nfs/dbraw/zinc/32/82/15/1039328215.db2.gz QGVMETDQDRJXRI-AWEZNQCLSA-N 1 2 326.371 3.864 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000152045505 1039360272 /nfs/dbraw/zinc/36/02/72/1039360272.db2.gz LFMSYUMBQBGGJL-XIKOKIGWSA-N 1 2 342.370 3.607 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCC[C@@H]3C(F)(F)F)[nH+]c12 ZINC000906185723 1039367576 /nfs/dbraw/zinc/36/75/76/1039367576.db2.gz XMZQTMFBBNRACA-CQSZACIVSA-N 1 2 339.361 3.519 20 0 EHADLO CCC[C@@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000478335715 1039378424 /nfs/dbraw/zinc/37/84/24/1039378424.db2.gz FEAAFVLCQJQLLJ-QGZVFWFLSA-N 1 2 346.519 3.629 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000554481986 1039380798 /nfs/dbraw/zinc/38/07/98/1039380798.db2.gz XQVUCLGLESNZAL-UHFFFAOYSA-N 1 2 333.435 3.777 20 0 EHADLO C[C@H](Oc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1)c1ccccc1 ZINC000898677299 1039406284 /nfs/dbraw/zinc/40/62/84/1039406284.db2.gz FUJCHOIQFGLKFR-IAOVAPTHSA-N 1 2 348.406 3.687 20 0 EHADLO C[C@H](Oc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1)c1ccccc1 ZINC000898677299 1039406296 /nfs/dbraw/zinc/40/62/96/1039406296.db2.gz FUJCHOIQFGLKFR-IAOVAPTHSA-N 1 2 348.406 3.687 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1OCCC(C)C ZINC000485691985 1039410374 /nfs/dbraw/zinc/41/03/74/1039410374.db2.gz FDEBPVLNKPPGCD-FQEVSTJZSA-N 1 2 333.472 3.731 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1OCCC(C)C ZINC000485691985 1039410380 /nfs/dbraw/zinc/41/03/80/1039410380.db2.gz FDEBPVLNKPPGCD-FQEVSTJZSA-N 1 2 333.472 3.731 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000660154262 1039415281 /nfs/dbraw/zinc/41/52/81/1039415281.db2.gz JNMXNWVLVGDUMT-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000660154262 1039415291 /nfs/dbraw/zinc/41/52/91/1039415291.db2.gz JNMXNWVLVGDUMT-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO CC[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687092 1039425430 /nfs/dbraw/zinc/42/54/30/1039425430.db2.gz BFTHGWJWQDIUFK-XVGQJIODSA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687092 1039425438 /nfs/dbraw/zinc/42/54/38/1039425438.db2.gz BFTHGWJWQDIUFK-XVGQJIODSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)Oc1ccc(N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000429586466 1039429315 /nfs/dbraw/zinc/42/93/15/1039429315.db2.gz WOKMANDGHHLVRV-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nn1)c1ccccc1OC ZINC000906287267 1039451782 /nfs/dbraw/zinc/45/17/82/1039451782.db2.gz KSKSYFQHYGGXCP-LJQANCHMSA-N 1 2 336.439 3.825 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCc4ccccc4C3(C)C)[nH+]c12 ZINC000552687136 1039452325 /nfs/dbraw/zinc/45/23/25/1039452325.db2.gz YUBNIXPVQZXGSY-UHFFFAOYSA-N 1 2 333.435 3.505 20 0 EHADLO Cc1cc(C)c(NC(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(C)[nH+]1 ZINC000417135277 1039456349 /nfs/dbraw/zinc/45/63/49/1039456349.db2.gz GNKJLQFGIDOCNR-AWEZNQCLSA-N 1 2 347.459 3.733 20 0 EHADLO CCOC(=O)c1csc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000432832213 1039478014 /nfs/dbraw/zinc/47/80/14/1039478014.db2.gz XQAUDIHGHMCELK-KRWDZBQOSA-N 1 2 342.464 3.972 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000432832213 1039478026 /nfs/dbraw/zinc/47/80/26/1039478026.db2.gz XQAUDIHGHMCELK-KRWDZBQOSA-N 1 2 342.464 3.972 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000584710565 1039589228 /nfs/dbraw/zinc/58/92/28/1039589228.db2.gz FWQJWEFHUUKUPY-MSOLQXFVSA-N 1 2 337.467 3.798 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000906473166 1039594719 /nfs/dbraw/zinc/59/47/19/1039594719.db2.gz PLWAILYDPZYJEU-OAHLLOKOSA-N 1 2 325.412 3.755 20 0 EHADLO C[C@H]1C[NH+](Cc2cc(Br)c(Cl)s2)C[C@H](C)C1O ZINC000668555038 1039600723 /nfs/dbraw/zinc/60/07/23/1039600723.db2.gz VGUHRMFJPKQBKJ-YUMQZZPRSA-N 1 2 338.698 3.613 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1)n1cc[nH+]c1 ZINC000912036385 1039639579 /nfs/dbraw/zinc/63/95/79/1039639579.db2.gz JQAUGCXBIJOAAL-MSOLQXFVSA-N 1 2 338.455 3.619 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](C)CCOc3ccccc3F)o2)c(C)o1 ZINC000152306691 1039646654 /nfs/dbraw/zinc/64/66/54/1039646654.db2.gz KADHAKKSUCARMD-UHFFFAOYSA-N 1 2 345.374 3.596 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](C)CCOc3ccccc3F)o2)c(C)o1 ZINC000152306691 1039646662 /nfs/dbraw/zinc/64/66/62/1039646662.db2.gz KADHAKKSUCARMD-UHFFFAOYSA-N 1 2 345.374 3.596 20 0 EHADLO C[C@H](CC(=O)N1CCCSC[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC000893737878 1039661078 /nfs/dbraw/zinc/66/10/78/1039661078.db2.gz LAOAKNLRICUNBY-NVXWUHKLSA-N 1 2 329.469 3.541 20 0 EHADLO CSc1cc(Cl)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000667383331 1039662205 /nfs/dbraw/zinc/66/22/05/1039662205.db2.gz QAHNLBWPTBKHAX-UHFFFAOYSA-N 1 2 338.864 3.860 20 0 EHADLO CCCCOc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)c(Cl)c1 ZINC000898905632 1039693140 /nfs/dbraw/zinc/69/31/40/1039693140.db2.gz CDTNIJSFDSELSY-UHFFFAOYSA-N 1 2 349.862 3.881 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)n1cc[nH+]c1 ZINC000898909028 1039697792 /nfs/dbraw/zinc/69/77/92/1039697792.db2.gz GUBZYUDQXHTNEG-DZGCQCFKSA-N 1 2 349.837 3.721 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898903602 1039712508 /nfs/dbraw/zinc/71/25/08/1039712508.db2.gz DRLFXYIICPHLGR-UHFFFAOYSA-N 1 2 337.876 3.814 20 0 EHADLO Oc1cccc2c1CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143538457 1039715132 /nfs/dbraw/zinc/71/51/32/1039715132.db2.gz LVULTSVURUXVHM-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Oc1cccc2c1CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143538457 1039715147 /nfs/dbraw/zinc/71/51/47/1039715147.db2.gz LVULTSVURUXVHM-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1nc(C2CC2)nn1C ZINC000584781344 1039804991 /nfs/dbraw/zinc/80/49/91/1039804991.db2.gz LOWOTHJKAPGTEE-UHFFFAOYSA-N 1 2 339.468 3.620 20 0 EHADLO CSc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)o1 ZINC000893927295 1039823648 /nfs/dbraw/zinc/82/36/48/1039823648.db2.gz GFOUGLADXJYKIH-UHFFFAOYSA-N 1 2 344.480 3.658 20 0 EHADLO CSc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)o1 ZINC000893927295 1039823676 /nfs/dbraw/zinc/82/36/76/1039823676.db2.gz GFOUGLADXJYKIH-UHFFFAOYSA-N 1 2 344.480 3.658 20 0 EHADLO Cc1ccnc(N)c1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000893918783 1039826492 /nfs/dbraw/zinc/82/64/92/1039826492.db2.gz GDIDDUJOQOIBSK-UHFFFAOYSA-N 1 2 325.334 3.503 20 0 EHADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000893918783 1039826521 /nfs/dbraw/zinc/82/65/21/1039826521.db2.gz GDIDDUJOQOIBSK-UHFFFAOYSA-N 1 2 325.334 3.503 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H]3CCCNc4ccccc43)[nH]2)cc1 ZINC000554859656 1039845577 /nfs/dbraw/zinc/84/55/77/1039845577.db2.gz PJZSHCSXHIAQEM-KRWDZBQOSA-N 1 2 337.402 3.647 20 0 EHADLO CCSc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000478971206 1039850735 /nfs/dbraw/zinc/85/07/35/1039850735.db2.gz ZMACGRXBBWGARW-RHSMWYFYSA-N 1 2 329.469 3.718 20 0 EHADLO Cc1n[nH]c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C ZINC000893969271 1039899354 /nfs/dbraw/zinc/89/93/54/1039899354.db2.gz JOBRVLDRMOYEEU-UWVGGRQHSA-N 1 2 329.288 3.589 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnc(F)c(C)c3)n2)cc1 ZINC000893977089 1039916178 /nfs/dbraw/zinc/91/61/78/1039916178.db2.gz VNGBZYNNIPMJIH-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)F)CC2)c(Cl)c1 ZINC000486136910 1039923669 /nfs/dbraw/zinc/92/36/69/1039923669.db2.gz MWJZSYFRORFNDN-NSHDSACASA-N 1 2 330.806 3.953 20 0 EHADLO CSc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)o1 ZINC000893995047 1039930029 /nfs/dbraw/zinc/93/00/29/1039930029.db2.gz RDNRHHXHMOXNDL-UHFFFAOYSA-N 1 2 346.452 3.708 20 0 EHADLO CSc1ccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)o1 ZINC000893995047 1039930054 /nfs/dbraw/zinc/93/00/54/1039930054.db2.gz RDNRHHXHMOXNDL-UHFFFAOYSA-N 1 2 346.452 3.708 20 0 EHADLO O=C(c1cccc(Cl)c1F)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927089890 1039938627 /nfs/dbraw/zinc/93/86/27/1039938627.db2.gz JCEREQUZVONHSG-UHFFFAOYSA-N 1 2 333.794 3.591 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cc2ccccc2)CC1 ZINC000893990087 1039944012 /nfs/dbraw/zinc/94/40/12/1039944012.db2.gz AKDSOXIGHGRRBH-HXUWFJFHSA-N 1 2 345.446 3.764 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)nc3c2CCCC3)[nH]1 ZINC000894010314 1039949400 /nfs/dbraw/zinc/94/94/00/1039949400.db2.gz WYVNIFKDDYWTRN-GXTWGEPZSA-N 1 2 327.476 3.751 20 0 EHADLO Cc1cc(OCC(=O)NCCCc2ccccc2)c2ccccc2[nH+]1 ZINC000486189232 1039952353 /nfs/dbraw/zinc/95/23/53/1039952353.db2.gz HNFSWSMNAIFNSK-UHFFFAOYSA-N 1 2 334.419 3.671 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000153363219 1039956035 /nfs/dbraw/zinc/95/60/35/1039956035.db2.gz FSXBJZSBNHUVCA-GFCCVEGCSA-N 1 2 340.427 3.623 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000153363219 1039956053 /nfs/dbraw/zinc/95/60/53/1039956053.db2.gz FSXBJZSBNHUVCA-GFCCVEGCSA-N 1 2 340.427 3.623 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479114126 1039959446 /nfs/dbraw/zinc/95/94/46/1039959446.db2.gz FQRHFZDWRSQXHI-CZUORRHYSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479114126 1039959458 /nfs/dbraw/zinc/95/94/58/1039959458.db2.gz FQRHFZDWRSQXHI-CZUORRHYSA-N 1 2 330.378 3.609 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000894018357 1039964734 /nfs/dbraw/zinc/96/47/34/1039964734.db2.gz CZMSYFOHAIGVDK-IBGZPJMESA-N 1 2 331.435 3.618 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](C)C[C@@H]3c3ccccc3)[nH+]c12 ZINC000553331216 1039980422 /nfs/dbraw/zinc/98/04/22/1039980422.db2.gz ADVGQISECZPDNN-DNVCBOLYSA-N 1 2 333.435 3.795 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000486237052 1040004580 /nfs/dbraw/zinc/00/45/80/1040004580.db2.gz WOPHGSRIISXWEE-MSOLQXFVSA-N 1 2 348.535 3.991 20 0 EHADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc(C(C)(C)C)cs1 ZINC000554986619 1040017800 /nfs/dbraw/zinc/01/78/00/1040017800.db2.gz HRISPHLUJISPTR-NSHDSACASA-N 1 2 343.456 3.971 20 0 EHADLO CCc1nnc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000554994573 1040026979 /nfs/dbraw/zinc/02/69/79/1040026979.db2.gz RMYMOBJMXMXRPT-LBPRGKRZSA-N 1 2 342.390 3.682 20 0 EHADLO C[C@@H](c1ccncc1)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393516 1040028088 /nfs/dbraw/zinc/02/80/88/1040028088.db2.gz VYCOTSYGSCVNOY-MAUKXSAKSA-N 1 2 334.423 3.546 20 0 EHADLO C[C@@H](c1ccncc1)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393518 1040029955 /nfs/dbraw/zinc/02/99/55/1040029955.db2.gz VYCOTSYGSCVNOY-YJBOKZPZSA-N 1 2 334.423 3.546 20 0 EHADLO O=C(C[C@H]1CCCC1(F)F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000899120762 1040051624 /nfs/dbraw/zinc/05/16/24/1040051624.db2.gz QQZNQHLUHUDARJ-RBSFLKMASA-N 1 2 337.414 3.746 20 0 EHADLO COc1ccc2ccc(N[C@H]3CCO[C@H](c4ccncc4)C3)[nH+]c2c1 ZINC000894078665 1040058279 /nfs/dbraw/zinc/05/82/79/1040058279.db2.gz MWFHKQIDSRZIHD-LPHOPBHVSA-N 1 2 335.407 3.971 20 0 EHADLO CSc1ccc(Cl)c(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000667468304 1040127717 /nfs/dbraw/zinc/12/77/17/1040127717.db2.gz VOWFRIOOGAHXMH-UHFFFAOYSA-N 1 2 338.864 3.812 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000152071651 1040128789 /nfs/dbraw/zinc/12/87/89/1040128789.db2.gz UQHTWLKXEBKLAR-UHFFFAOYSA-N 1 2 346.500 3.667 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000419214206 1040157122 /nfs/dbraw/zinc/15/71/22/1040157122.db2.gz XFQAQXKCEVHDGM-ZWKOTPCHSA-N 1 2 329.444 3.539 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000419214206 1040157130 /nfs/dbraw/zinc/15/71/30/1040157130.db2.gz XFQAQXKCEVHDGM-ZWKOTPCHSA-N 1 2 329.444 3.539 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814179 1040181389 /nfs/dbraw/zinc/18/13/89/1040181389.db2.gz FAZKNKWVVWLSNJ-AWEZNQCLSA-N 1 2 340.471 3.635 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814179 1040181394 /nfs/dbraw/zinc/18/13/94/1040181394.db2.gz FAZKNKWVVWLSNJ-AWEZNQCLSA-N 1 2 340.471 3.635 20 0 EHADLO Cc1ccc(CC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000907816288 1040185036 /nfs/dbraw/zinc/18/50/36/1040185036.db2.gz RYBOCZKFRCIXNK-HNNXBMFYSA-N 1 2 341.455 3.575 20 0 EHADLO Cc1ccc(CC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000907816288 1040185044 /nfs/dbraw/zinc/18/50/44/1040185044.db2.gz RYBOCZKFRCIXNK-HNNXBMFYSA-N 1 2 341.455 3.575 20 0 EHADLO Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1C ZINC000156710038 1040193576 /nfs/dbraw/zinc/19/35/76/1040193576.db2.gz CDFFPWHBAFOXFU-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808743 1040198917 /nfs/dbraw/zinc/19/89/17/1040198917.db2.gz GKZFRRWQNKIBAE-BBWFWOEESA-N 1 2 341.499 3.867 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808743 1040198929 /nfs/dbraw/zinc/19/89/29/1040198929.db2.gz GKZFRRWQNKIBAE-BBWFWOEESA-N 1 2 341.499 3.867 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000553582273 1040213575 /nfs/dbraw/zinc/21/35/75/1040213575.db2.gz OCNUCYPUMSUXIS-INIZCTEOSA-N 1 2 344.846 3.694 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967250 1040227011 /nfs/dbraw/zinc/22/70/11/1040227011.db2.gz NLGGPZICVYIOSR-HNNXBMFYSA-N 1 2 344.430 3.911 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967250 1040227029 /nfs/dbraw/zinc/22/70/29/1040227029.db2.gz NLGGPZICVYIOSR-HNNXBMFYSA-N 1 2 344.430 3.911 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000489874981 1040231894 /nfs/dbraw/zinc/23/18/94/1040231894.db2.gz XPRIOUMMIKGPSJ-RBUKOAKNSA-N 1 2 339.483 3.641 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC2CC2)cn1 ZINC000646018935 1040290450 /nfs/dbraw/zinc/29/04/50/1040290450.db2.gz CGZFKZPNCJIIDD-UHFFFAOYSA-N 1 2 332.451 3.988 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccn(-c3ccccc3)n2)CC2CC2)cn1 ZINC000646018935 1040290462 /nfs/dbraw/zinc/29/04/62/1040290462.db2.gz CGZFKZPNCJIIDD-UHFFFAOYSA-N 1 2 332.451 3.988 20 0 EHADLO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000489987983 1040291042 /nfs/dbraw/zinc/29/10/42/1040291042.db2.gz FFLZAACRYBUQRI-IINYFYTJSA-N 1 2 340.345 3.649 20 0 EHADLO Cc1cc(N[C@H](CO)c2c(Cl)cccc2Cl)nc(C(C)C)[nH+]1 ZINC000481036609 1040301156 /nfs/dbraw/zinc/30/11/56/1040301156.db2.gz KSJISTJHMCNOJB-CYBMUJFWSA-N 1 2 340.254 3.783 20 0 EHADLO CCC[N@H+](CC(F)F)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000152119958 1040315124 /nfs/dbraw/zinc/31/51/24/1040315124.db2.gz NKINFPRCXDDGPO-GFCCVEGCSA-N 1 2 325.321 3.586 20 0 EHADLO CCC[N@@H+](CC(F)F)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000152119958 1040315134 /nfs/dbraw/zinc/31/51/34/1040315134.db2.gz NKINFPRCXDDGPO-GFCCVEGCSA-N 1 2 325.321 3.586 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1cccc(CO)c1 ZINC000479548948 1040358100 /nfs/dbraw/zinc/35/81/00/1040358100.db2.gz YFJDFBWJSFVNNU-ZBEGNZNMSA-N 1 2 340.250 3.870 20 0 EHADLO c1ccc(Oc2cccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)c2)cc1 ZINC000511649906 1040409433 /nfs/dbraw/zinc/40/94/33/1040409433.db2.gz QPDINHLUPWTRSV-RTWAWAEBSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2cccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)c2)cc1 ZINC000511649906 1040409448 /nfs/dbraw/zinc/40/94/48/1040409448.db2.gz QPDINHLUPWTRSV-RTWAWAEBSA-N 1 2 339.435 3.859 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000908325325 1040409961 /nfs/dbraw/zinc/40/99/61/1040409961.db2.gz WZUNIBJURMUPTJ-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nccn2-c2ccccc2)CC2CC2)cn1 ZINC000646020424 1040419771 /nfs/dbraw/zinc/41/97/71/1040419771.db2.gz YJZJSGOLNVLBMZ-UHFFFAOYSA-N 1 2 332.451 3.988 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nccn2-c2ccccc2)CC2CC2)cn1 ZINC000646020424 1040419785 /nfs/dbraw/zinc/41/97/85/1040419785.db2.gz YJZJSGOLNVLBMZ-UHFFFAOYSA-N 1 2 332.451 3.988 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000029541903 1040433896 /nfs/dbraw/zinc/43/38/96/1040433896.db2.gz AEHUSHNUGQILLN-ZDUSSCGKSA-N 1 2 331.489 3.745 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000029541903 1040433904 /nfs/dbraw/zinc/43/39/04/1040433904.db2.gz AEHUSHNUGQILLN-ZDUSSCGKSA-N 1 2 331.489 3.745 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628298806 1040522245 /nfs/dbraw/zinc/52/22/45/1040522245.db2.gz RXOYUXPIPABPTL-NEPJUHHUSA-N 1 2 342.340 3.569 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628298806 1040522258 /nfs/dbraw/zinc/52/22/58/1040522258.db2.gz RXOYUXPIPABPTL-NEPJUHHUSA-N 1 2 342.340 3.569 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000433036951 1040537958 /nfs/dbraw/zinc/53/79/58/1040537958.db2.gz AQOHVEUQNRKMJT-ZAMGYDSWSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000433036951 1040537976 /nfs/dbraw/zinc/53/79/76/1040537976.db2.gz AQOHVEUQNRKMJT-ZAMGYDSWSA-N 1 2 335.444 3.737 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667549640 1040587783 /nfs/dbraw/zinc/58/77/83/1040587783.db2.gz RWLRTLWOYLIVLA-GUYCJALGSA-N 1 2 342.443 3.624 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000827985323 1040596662 /nfs/dbraw/zinc/59/66/62/1040596662.db2.gz IZKFAYHZILUDFR-FUHWJXTLSA-N 1 2 329.488 3.653 20 0 EHADLO Fc1cccc(NC(=S)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000899503242 1040612475 /nfs/dbraw/zinc/61/24/75/1040612475.db2.gz JRIKPGHFLMTPAM-UHFFFAOYSA-N 1 2 346.475 3.911 20 0 EHADLO Cc1nc(NC[C@H]2CCOC3(CCC3)C2)c(Br)c(C)[nH+]1 ZINC000663966215 1040647847 /nfs/dbraw/zinc/64/78/47/1040647847.db2.gz SMJTWJLQBBCOJB-LBPRGKRZSA-N 1 2 340.265 3.617 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1O ZINC000343861374 1040678876 /nfs/dbraw/zinc/67/88/76/1040678876.db2.gz YEBKWKHSRHRDGB-QMMMGPOBSA-N 1 2 332.347 3.727 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000600128548 1040694667 /nfs/dbraw/zinc/69/46/67/1040694667.db2.gz CVIYRPKMHQNUOJ-NSHDSACASA-N 1 2 336.794 3.902 20 0 EHADLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000364303759 1040738951 /nfs/dbraw/zinc/73/89/51/1040738951.db2.gz OKKBJRYBXFZZLZ-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO C[C@@H]1COCCN1c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000151296516 1040748142 /nfs/dbraw/zinc/74/81/42/1040748142.db2.gz FDNMZBJQURDNEU-QGZVFWFLSA-N 1 2 348.450 3.710 20 0 EHADLO CC[C@@H](C)[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000512742576 1040752359 /nfs/dbraw/zinc/75/23/59/1040752359.db2.gz ABLHZOGQAQRIEB-HUUCEWRRSA-N 1 2 339.483 3.777 20 0 EHADLO CC[C@@H](C)[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000512742576 1040752368 /nfs/dbraw/zinc/75/23/68/1040752368.db2.gz ABLHZOGQAQRIEB-HUUCEWRRSA-N 1 2 339.483 3.777 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429862838 1040823944 /nfs/dbraw/zinc/82/39/44/1040823944.db2.gz ARAIMKVCIBDOAT-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO Cc1nc(NCC(C)(C)c2cccnc2)c(Br)c(C)[nH+]1 ZINC000664021740 1040849236 /nfs/dbraw/zinc/84/92/36/1040849236.db2.gz ZWTREFBPFLCHBA-UHFFFAOYSA-N 1 2 335.249 3.641 20 0 EHADLO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000668767499 1040849592 /nfs/dbraw/zinc/84/95/92/1040849592.db2.gz HGNUBAVZCWPVJM-OCCSQVGLSA-N 1 2 347.377 3.554 20 0 EHADLO COc1cc(C)c(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000668767499 1040849605 /nfs/dbraw/zinc/84/96/05/1040849605.db2.gz HGNUBAVZCWPVJM-OCCSQVGLSA-N 1 2 347.377 3.554 20 0 EHADLO CCCCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000043190174 1040894328 /nfs/dbraw/zinc/89/43/28/1040894328.db2.gz AMOGXJURGAZLRZ-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO Cc1cc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc(C)n1 ZINC000664034544 1040908221 /nfs/dbraw/zinc/90/82/21/1040908221.db2.gz RDSCHDQVXGAMPK-UHFFFAOYSA-N 1 2 334.423 3.872 20 0 EHADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(SC(F)(F)F)c1 ZINC000899660197 1040934362 /nfs/dbraw/zinc/93/43/62/1040934362.db2.gz IVKOUAUSSMIOSM-SNVBAGLBSA-N 1 2 343.374 3.832 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151450098 1040936248 /nfs/dbraw/zinc/93/62/48/1040936248.db2.gz IILDVLHFGAYQFB-UYAOXDASSA-N 1 2 337.467 3.883 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000481506546 1040984053 /nfs/dbraw/zinc/98/40/53/1040984053.db2.gz JARPHPRNAORBNM-YJBOKZPZSA-N 1 2 335.517 3.996 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CF)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000555697005 1041020514 /nfs/dbraw/zinc/02/05/14/1041020514.db2.gz JBLHNWBILICEMO-UXHICEINSA-N 1 2 340.442 3.521 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000555697005 1041020534 /nfs/dbraw/zinc/02/05/34/1041020534.db2.gz JBLHNWBILICEMO-UXHICEINSA-N 1 2 340.442 3.521 20 0 EHADLO Cc1cc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)cc(F)c1F ZINC001143610266 1041026435 /nfs/dbraw/zinc/02/64/35/1041026435.db2.gz UXUXDNHJTZNFIM-IBGZPJMESA-N 1 2 328.406 3.688 20 0 EHADLO Cc1cc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)cc(F)c1F ZINC001143610266 1041026447 /nfs/dbraw/zinc/02/64/47/1041026447.db2.gz UXUXDNHJTZNFIM-IBGZPJMESA-N 1 2 328.406 3.688 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000512827134 1041048111 /nfs/dbraw/zinc/04/81/11/1041048111.db2.gz LLLOJDGIKAXXJB-IAGOWNOFSA-N 1 2 332.492 3.789 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H](C)c1ccccc1)C2 ZINC000364391399 1041110204 /nfs/dbraw/zinc/11/02/04/1041110204.db2.gz ZQOHIMGETUJQJR-ZBFHGGJFSA-N 1 2 325.456 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000364391399 1041110213 /nfs/dbraw/zinc/11/02/13/1041110213.db2.gz ZQOHIMGETUJQJR-ZBFHGGJFSA-N 1 2 325.456 3.858 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000481581583 1041111957 /nfs/dbraw/zinc/11/19/57/1041111957.db2.gz OLHNXYUKLPKQGZ-UXHICEINSA-N 1 2 340.467 3.504 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000419292366 1041126889 /nfs/dbraw/zinc/12/68/89/1041126889.db2.gz YMIBMLBARGVVCE-CQSZACIVSA-N 1 2 335.398 3.852 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000419292366 1041126900 /nfs/dbraw/zinc/12/69/00/1041126900.db2.gz YMIBMLBARGVVCE-CQSZACIVSA-N 1 2 335.398 3.852 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799826 1041131253 /nfs/dbraw/zinc/13/12/53/1041131253.db2.gz DYWOXRQNBIRBDX-KBXCAEBGSA-N 1 2 332.398 3.542 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799826 1041131257 /nfs/dbraw/zinc/13/12/57/1041131257.db2.gz DYWOXRQNBIRBDX-KBXCAEBGSA-N 1 2 332.398 3.542 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)CCCCc2ccccc2)cs1 ZINC000052037641 1041151873 /nfs/dbraw/zinc/15/18/73/1041151873.db2.gz CVDYGVVGMZSLHN-UHFFFAOYSA-N 1 2 345.512 3.971 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)CCCCc2ccccc2)cs1 ZINC000052037641 1041151886 /nfs/dbraw/zinc/15/18/86/1041151886.db2.gz CVDYGVVGMZSLHN-UHFFFAOYSA-N 1 2 345.512 3.971 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419302461 1041180157 /nfs/dbraw/zinc/18/01/57/1041180157.db2.gz PPUDBCTYHSZNAF-OAHLLOKOSA-N 1 2 334.414 3.518 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419302461 1041180163 /nfs/dbraw/zinc/18/01/63/1041180163.db2.gz PPUDBCTYHSZNAF-OAHLLOKOSA-N 1 2 334.414 3.518 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419302457 1041180647 /nfs/dbraw/zinc/18/06/47/1041180647.db2.gz PPUDBCTYHSZNAF-HNNXBMFYSA-N 1 2 334.414 3.518 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419302457 1041180658 /nfs/dbraw/zinc/18/06/58/1041180658.db2.gz PPUDBCTYHSZNAF-HNNXBMFYSA-N 1 2 334.414 3.518 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279012 1041190196 /nfs/dbraw/zinc/19/01/96/1041190196.db2.gz NNVBXTKPUQTAPX-CHWSQXEVSA-N 1 2 340.172 3.980 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279012 1041190204 /nfs/dbraw/zinc/19/02/04/1041190204.db2.gz NNVBXTKPUQTAPX-CHWSQXEVSA-N 1 2 340.172 3.980 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000571261843 1041247364 /nfs/dbraw/zinc/24/73/64/1041247364.db2.gz MNRKGFIIAIERSX-KRWDZBQOSA-N 1 2 343.862 3.650 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCn1cc(Cl)cn1 ZINC000571261843 1041247382 /nfs/dbraw/zinc/24/73/82/1041247382.db2.gz MNRKGFIIAIERSX-KRWDZBQOSA-N 1 2 343.862 3.650 20 0 EHADLO CCCCn1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c(C)n1 ZINC000433316024 1041260595 /nfs/dbraw/zinc/26/05/95/1041260595.db2.gz GJNXRRLIPNRQGS-UHFFFAOYSA-N 1 2 332.395 3.757 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000364423056 1041263413 /nfs/dbraw/zinc/26/34/13/1041263413.db2.gz VUHMZICSPVZONE-APWZRJJASA-N 1 2 335.451 3.514 20 0 EHADLO Cc1nc([C@@](C)([NH2+]C[C@H](OC(C)C)c2ccccc2)C2CC2)no1 ZINC000433322599 1041278711 /nfs/dbraw/zinc/27/87/11/1041278711.db2.gz RHNQOUSEOLHMOE-HKUYNNGSSA-N 1 2 329.444 3.759 20 0 EHADLO Cc1[nH]c(CN2CC[C@@H](c3cccc(Br)c3)C2)[nH+]c1C ZINC000628299448 1041289320 /nfs/dbraw/zinc/28/93/20/1041289320.db2.gz OQLZERYAQGNUGH-CQSZACIVSA-N 1 2 334.261 3.779 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)[nH]c1C ZINC000628299448 1041289336 /nfs/dbraw/zinc/28/93/36/1041289336.db2.gz OQLZERYAQGNUGH-CQSZACIVSA-N 1 2 334.261 3.779 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)[nH]c1C ZINC000628299448 1041289349 /nfs/dbraw/zinc/28/93/49/1041289349.db2.gz OQLZERYAQGNUGH-CQSZACIVSA-N 1 2 334.261 3.779 20 0 EHADLO CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000192872957 1041290307 /nfs/dbraw/zinc/29/03/07/1041290307.db2.gz HNAPHYHVVDYEEB-LBPRGKRZSA-N 1 2 343.452 3.867 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000192872957 1041290317 /nfs/dbraw/zinc/29/03/17/1041290317.db2.gz HNAPHYHVVDYEEB-LBPRGKRZSA-N 1 2 343.452 3.867 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCC[C@@H]1C ZINC001143553991 1041322914 /nfs/dbraw/zinc/32/29/14/1041322914.db2.gz UROPPYWUMBXIKX-DBVUQKKJSA-N 1 2 344.499 3.697 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCC[C@@H]1C ZINC001143553991 1041322925 /nfs/dbraw/zinc/32/29/25/1041322925.db2.gz UROPPYWUMBXIKX-DBVUQKKJSA-N 1 2 344.499 3.697 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N(CC1CC1)c1ccccc1 ZINC000433363100 1041337242 /nfs/dbraw/zinc/33/72/42/1041337242.db2.gz KVVUNQHPYLATPJ-UHFFFAOYSA-N 1 2 345.446 3.917 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000419328617 1041364647 /nfs/dbraw/zinc/36/46/47/1041364647.db2.gz NOLYBACWOKOZEP-UHFFFAOYSA-N 1 2 336.423 3.984 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000513044988 1041412036 /nfs/dbraw/zinc/41/20/36/1041412036.db2.gz AWLGLDKZOODQRP-QGZVFWFLSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000513044988 1041412042 /nfs/dbraw/zinc/41/20/42/1041412042.db2.gz AWLGLDKZOODQRP-QGZVFWFLSA-N 1 2 344.405 3.749 20 0 EHADLO CC1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000432028970 1041470255 /nfs/dbraw/zinc/47/02/55/1041470255.db2.gz ZMPBRTNMIUPMEN-SFHVURJKSA-N 1 2 336.426 3.750 20 0 EHADLO CC1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000432028970 1041470257 /nfs/dbraw/zinc/47/02/57/1041470257.db2.gz ZMPBRTNMIUPMEN-SFHVURJKSA-N 1 2 336.426 3.750 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)cs1 ZINC000111375748 1041547416 /nfs/dbraw/zinc/54/74/16/1041547416.db2.gz HGPOLWHAYSINGR-OLZOCXBDSA-N 1 2 347.484 3.700 20 0 EHADLO OCC[C@H]1CCCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660497247 1041575302 /nfs/dbraw/zinc/57/53/02/1041575302.db2.gz VHPFBTRHNPEJCR-GFCCVEGCSA-N 1 2 347.684 3.625 20 0 EHADLO OCC[C@H]1CCCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660497247 1041575306 /nfs/dbraw/zinc/57/53/06/1041575306.db2.gz VHPFBTRHNPEJCR-GFCCVEGCSA-N 1 2 347.684 3.625 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccccc3)n2)C1 ZINC000043547636 1041660442 /nfs/dbraw/zinc/66/04/42/1041660442.db2.gz URSBTEXHFBADCA-AWEZNQCLSA-N 1 2 344.484 3.697 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccccc3)n2)C1 ZINC000043547636 1041660446 /nfs/dbraw/zinc/66/04/46/1041660446.db2.gz URSBTEXHFBADCA-AWEZNQCLSA-N 1 2 344.484 3.697 20 0 EHADLO Clc1ccc([C@H](C2CCOCC2)[N@@H+]2CCn3cncc3C2)cc1 ZINC000660582965 1041706363 /nfs/dbraw/zinc/70/63/63/1041706363.db2.gz CJFRNQOMIGPNOE-GOSISDBHSA-N 1 2 331.847 3.520 20 0 EHADLO Clc1ccc([C@H](C2CCOCC2)[N@H+]2CCn3cncc3C2)cc1 ZINC000660582965 1041706372 /nfs/dbraw/zinc/70/63/72/1041706372.db2.gz CJFRNQOMIGPNOE-GOSISDBHSA-N 1 2 331.847 3.520 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccn4)C3)no2)cs1 ZINC000660628325 1041734533 /nfs/dbraw/zinc/73/45/33/1041734533.db2.gz KVLDKBQVBREVRD-CYBMUJFWSA-N 1 2 326.425 3.573 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccn4)C3)no2)cs1 ZINC000660628325 1041734540 /nfs/dbraw/zinc/73/45/40/1041734540.db2.gz KVLDKBQVBREVRD-CYBMUJFWSA-N 1 2 326.425 3.573 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)s1 ZINC000660719861 1041788075 /nfs/dbraw/zinc/78/80/75/1041788075.db2.gz JDNZXVKVTCBQQJ-UHFFFAOYSA-N 1 2 346.504 3.513 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)s1 ZINC000660719861 1041788084 /nfs/dbraw/zinc/78/80/84/1041788084.db2.gz JDNZXVKVTCBQQJ-UHFFFAOYSA-N 1 2 346.504 3.513 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000591927649 1041804202 /nfs/dbraw/zinc/80/42/02/1041804202.db2.gz RIMFXQQZUSWORZ-AWEZNQCLSA-N 1 2 330.403 3.790 20 0 EHADLO CCOc1cccc(C[N@H+](CCO)Cc2nsc3ccccc23)c1 ZINC000660757472 1041807567 /nfs/dbraw/zinc/80/75/67/1041807567.db2.gz GKJBWLOGLZZBBQ-UHFFFAOYSA-N 1 2 342.464 3.690 20 0 EHADLO CCOc1cccc(C[N@@H+](CCO)Cc2nsc3ccccc23)c1 ZINC000660757472 1041807572 /nfs/dbraw/zinc/80/75/72/1041807572.db2.gz GKJBWLOGLZZBBQ-UHFFFAOYSA-N 1 2 342.464 3.690 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2ccco2)CC1 ZINC000661162718 1041978035 /nfs/dbraw/zinc/97/80/35/1041978035.db2.gz FVZRDDXUGZEZIB-LBPRGKRZSA-N 1 2 334.366 3.764 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2ccco2)CC1 ZINC000661164574 1041979251 /nfs/dbraw/zinc/97/92/51/1041979251.db2.gz XYAUEVCGCITSRK-GFCCVEGCSA-N 1 2 334.366 3.764 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000651746116 1041993395 /nfs/dbraw/zinc/99/33/95/1041993395.db2.gz HASQPXCTAJZHQJ-OAHLLOKOSA-N 1 2 338.459 3.581 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000651781469 1042024620 /nfs/dbraw/zinc/02/46/20/1042024620.db2.gz LDPJRCRNQHEMBD-IBGZPJMESA-N 1 2 337.467 3.689 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cn1 ZINC000164344636 1042046088 /nfs/dbraw/zinc/04/60/88/1042046088.db2.gz MOMPGEWTXAYZGK-QGZVFWFLSA-N 1 2 337.471 3.583 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccccc2F)CC2CC2)c[nH+]1 ZINC000661292394 1042052778 /nfs/dbraw/zinc/05/27/78/1042052778.db2.gz ODHAPTZGVWEPGD-UHFFFAOYSA-N 1 2 341.430 3.959 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)c1nncn1C ZINC000651804704 1042057485 /nfs/dbraw/zinc/05/74/85/1042057485.db2.gz QAKLPMYHQHVORH-KXBFYZLASA-N 1 2 335.455 3.925 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc(C)[nH+]1 ZINC000661334703 1042066018 /nfs/dbraw/zinc/06/60/18/1042066018.db2.gz WALJBQPHOURXMH-DOTOQJQBSA-N 1 2 329.831 3.707 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cscn1 ZINC000661419618 1042112464 /nfs/dbraw/zinc/11/24/64/1042112464.db2.gz FRAYVIDFAICBSX-UONOGXRCSA-N 1 2 343.496 3.550 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cncc2c1CCCC2 ZINC000617099707 1042112726 /nfs/dbraw/zinc/11/27/26/1042112726.db2.gz DFUOSTASOUBZTL-GOSISDBHSA-N 1 2 346.434 3.844 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](C)c1cccc2ccccc21)c1cscn1 ZINC000661424208 1042113473 /nfs/dbraw/zinc/11/34/73/1042113473.db2.gz OSZLEPFDNBIYCX-ZIAGYGMSSA-N 1 2 339.464 3.824 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000651882399 1042137390 /nfs/dbraw/zinc/13/73/90/1042137390.db2.gz NNIHIGFEKBZAKB-MSOLQXFVSA-N 1 2 337.467 3.605 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000661508942 1042154186 /nfs/dbraw/zinc/15/41/86/1042154186.db2.gz BTFQTAUUCVDPNM-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000661508942 1042154191 /nfs/dbraw/zinc/15/41/91/1042154191.db2.gz BTFQTAUUCVDPNM-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO FC(F)(F)c1ccnc([C@H]2CCC[N@@H+]2CCCc2ccncc2)n1 ZINC000661537160 1042177256 /nfs/dbraw/zinc/17/72/56/1042177256.db2.gz URCDOBNEQGOUNX-CQSZACIVSA-N 1 2 336.361 3.660 20 0 EHADLO FC(F)(F)c1ccnc([C@H]2CCC[N@H+]2CCCc2ccncc2)n1 ZINC000661537160 1042177261 /nfs/dbraw/zinc/17/72/61/1042177261.db2.gz URCDOBNEQGOUNX-CQSZACIVSA-N 1 2 336.361 3.660 20 0 EHADLO Brc1ccc2[nH+]ccn2c1NCc1ccc2c(c1)CCO2 ZINC001167781210 1042222433 /nfs/dbraw/zinc/22/24/33/1042222433.db2.gz IQJKHJWEWQMTOT-UHFFFAOYSA-N 1 2 344.212 3.644 20 0 EHADLO c1ccc(COc2cc(NCc3ccc4c(c3)CCO4)cc[nH+]2)nc1 ZINC001167781511 1042239053 /nfs/dbraw/zinc/23/90/53/1042239053.db2.gz KFWJRUNWDHRRIU-UHFFFAOYSA-N 1 2 333.391 3.603 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000596076899 1042261176 /nfs/dbraw/zinc/26/11/76/1042261176.db2.gz RJVRUFDPCQJUOJ-CQSZACIVSA-N 1 2 328.412 3.757 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-n3cccn3)c(F)c2)nc(C(C)C)[nH+]1 ZINC000549578247 1042395957 /nfs/dbraw/zinc/39/59/57/1042395957.db2.gz UEYLACYMZPIHAP-CQSZACIVSA-N 1 2 339.418 3.828 20 0 EHADLO Fc1cccc(-c2nc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)co2)c1 ZINC000661998296 1042455962 /nfs/dbraw/zinc/45/59/62/1042455962.db2.gz UEVRJRCREYSELP-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1cccc(-c2nc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)co2)c1 ZINC000661998296 1042455965 /nfs/dbraw/zinc/45/59/65/1042455965.db2.gz UEVRJRCREYSELP-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO C[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCC1 ZINC000652478140 1042496911 /nfs/dbraw/zinc/49/69/11/1042496911.db2.gz KWYNNWKPXROPSF-GFCCVEGCSA-N 1 2 332.835 3.514 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2CC[C@H]2c2ccc(Br)cc2)n1 ZINC000662091739 1042512594 /nfs/dbraw/zinc/51/25/94/1042512594.db2.gz GSPYGCQESZSHLW-INIZCTEOSA-N 1 2 334.261 3.709 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2CC[C@H]2c2ccc(Br)cc2)n1 ZINC000662091739 1042512595 /nfs/dbraw/zinc/51/25/95/1042512595.db2.gz GSPYGCQESZSHLW-INIZCTEOSA-N 1 2 334.261 3.709 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000278859959 1042604244 /nfs/dbraw/zinc/60/42/44/1042604244.db2.gz MZPKTHSPWDWZMC-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000662241925 1042628805 /nfs/dbraw/zinc/62/88/05/1042628805.db2.gz YVCNCTZRLQRRGW-DZGCQCFKSA-N 1 2 329.362 3.691 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000662241925 1042628806 /nfs/dbraw/zinc/62/88/06/1042628806.db2.gz YVCNCTZRLQRRGW-DZGCQCFKSA-N 1 2 329.362 3.691 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC1=CCSC1 ZINC000662268828 1042644162 /nfs/dbraw/zinc/64/41/62/1042644162.db2.gz MTXAJBJPDLGJBQ-UHFFFAOYSA-N 1 2 338.476 3.897 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC1=CCSC1 ZINC000662268828 1042644166 /nfs/dbraw/zinc/64/41/66/1042644166.db2.gz MTXAJBJPDLGJBQ-UHFFFAOYSA-N 1 2 338.476 3.897 20 0 EHADLO CCCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1C(C)C ZINC000663299190 1042644614 /nfs/dbraw/zinc/64/46/14/1042644614.db2.gz GIJQUEMAXGNYKO-UHFFFAOYSA-N 1 2 348.468 3.525 20 0 EHADLO Fc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000663306772 1042659363 /nfs/dbraw/zinc/65/93/63/1042659363.db2.gz OWAPFEGHCOTXPO-ZDUSSCGKSA-N 1 2 345.399 3.511 20 0 EHADLO Fc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000663306772 1042659365 /nfs/dbraw/zinc/65/93/65/1042659365.db2.gz OWAPFEGHCOTXPO-ZDUSSCGKSA-N 1 2 345.399 3.511 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1OC ZINC000161805614 1042687338 /nfs/dbraw/zinc/68/73/38/1042687338.db2.gz MBZFYWJNKDZPJB-UHFFFAOYSA-N 1 2 337.379 3.736 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c(C)s1 ZINC000663384754 1042783950 /nfs/dbraw/zinc/78/39/50/1042783950.db2.gz VPDVABUUEOMBJV-ZDUSSCGKSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c(C)s1 ZINC000663384754 1042783956 /nfs/dbraw/zinc/78/39/56/1042783956.db2.gz VPDVABUUEOMBJV-ZDUSSCGKSA-N 1 2 346.500 3.679 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1csc(Cc2ccccc2)n1 ZINC000603786414 1042842677 /nfs/dbraw/zinc/84/26/77/1042842677.db2.gz VKAGVYLERXRYSI-UHFFFAOYSA-N 1 2 334.404 3.634 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@@H]3n3cccn3)[nH+]cn2)C1 ZINC000432320377 1042854015 /nfs/dbraw/zinc/85/40/15/1042854015.db2.gz OFGMMLZMBMDKPG-ZACQAIPSSA-N 1 2 340.475 3.505 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@@H]3n3cccn3)nc[nH+]2)C1 ZINC000432320377 1042854019 /nfs/dbraw/zinc/85/40/19/1042854019.db2.gz OFGMMLZMBMDKPG-ZACQAIPSSA-N 1 2 340.475 3.505 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C3CC3)C3CC3)n2)C1 ZINC000043546896 1042854854 /nfs/dbraw/zinc/85/48/54/1042854854.db2.gz XRVNULHVOWQBMU-GFCCVEGCSA-N 1 2 348.516 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C3CC3)C3CC3)n2)C1 ZINC000043546896 1042854856 /nfs/dbraw/zinc/85/48/56/1042854856.db2.gz XRVNULHVOWQBMU-GFCCVEGCSA-N 1 2 348.516 3.685 20 0 EHADLO CCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066961896 1042879685 /nfs/dbraw/zinc/87/96/85/1042879685.db2.gz YFQGCYFXRLJCNE-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO O=C(CC[N@H+]1CCC[C@H]1C(F)F)Nc1ccccc1Br ZINC000663464721 1042889830 /nfs/dbraw/zinc/88/98/30/1042889830.db2.gz WLYCEZIBXXKCEQ-LBPRGKRZSA-N 1 2 347.203 3.507 20 0 EHADLO O=C(CC[N@@H+]1CCC[C@H]1C(F)F)Nc1ccccc1Br ZINC000663464721 1042889835 /nfs/dbraw/zinc/88/98/35/1042889835.db2.gz WLYCEZIBXXKCEQ-LBPRGKRZSA-N 1 2 347.203 3.507 20 0 EHADLO CC1(C)C[C@]1(C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000663476327 1042906959 /nfs/dbraw/zinc/90/69/59/1042906959.db2.gz BQLSNPOEAMMMKI-RXVVDRJESA-N 1 2 332.451 3.852 20 0 EHADLO COc1ccccc1C[NH+]1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000303233804 1042922150 /nfs/dbraw/zinc/92/21/50/1042922150.db2.gz YQDASONSZJHDKK-HNNXBMFYSA-N 1 2 346.421 3.852 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](CO)c1ccccc1 ZINC000343961522 1042954676 /nfs/dbraw/zinc/95/46/76/1042954676.db2.gz BYCGMYZXJIELRM-GOSISDBHSA-N 1 2 344.361 3.785 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](CO)c1ccccc1 ZINC000343961522 1042954680 /nfs/dbraw/zinc/95/46/80/1042954680.db2.gz BYCGMYZXJIELRM-GOSISDBHSA-N 1 2 344.361 3.785 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3ncc4ccccc4c3O)c2C1 ZINC001143528484 1042995310 /nfs/dbraw/zinc/99/53/10/1042995310.db2.gz PNGMRVWOVHATNH-UHFFFAOYSA-N 1 2 347.418 3.918 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3ncc4ccccc4c3O)c2C1 ZINC001143528484 1042995315 /nfs/dbraw/zinc/99/53/15/1042995315.db2.gz PNGMRVWOVHATNH-UHFFFAOYSA-N 1 2 347.418 3.918 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942538 1043056785 /nfs/dbraw/zinc/05/67/85/1043056785.db2.gz YEPBXWCLJBQSNM-NEPJUHHUSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942538 1043056793 /nfs/dbraw/zinc/05/67/93/1043056793.db2.gz YEPBXWCLJBQSNM-NEPJUHHUSA-N 1 2 332.341 3.735 20 0 EHADLO O=C(Nc1ccc(C2CCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000278972262 1043110061 /nfs/dbraw/zinc/11/00/61/1043110061.db2.gz QEUUQBDXJXABNJ-SFHVURJKSA-N 1 2 336.439 3.750 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279026637 1043217187 /nfs/dbraw/zinc/21/71/87/1043217187.db2.gz WITFHKRDIHUMLW-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(F)ccc1SCC(F)F ZINC000606220963 1043276746 /nfs/dbraw/zinc/27/67/46/1043276746.db2.gz UBZNUXWLWJLCJY-UHFFFAOYSA-N 1 2 343.374 3.798 20 0 EHADLO CC(C)Oc1ccc(N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000344143971 1043324725 /nfs/dbraw/zinc/32/47/25/1043324725.db2.gz OIEIUARQSNBICB-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO CCCn1ncnc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000279109251 1043370286 /nfs/dbraw/zinc/37/02/86/1043370286.db2.gz RCJKQDMACNUESW-LJQANCHMSA-N 1 2 336.439 3.598 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1Cl ZINC000344194865 1043407170 /nfs/dbraw/zinc/40/71/70/1043407170.db2.gz ACVQIRVBOQECCK-CYBMUJFWSA-N 1 2 332.831 3.559 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1Cl ZINC000344194865 1043407179 /nfs/dbraw/zinc/40/71/79/1043407179.db2.gz ACVQIRVBOQECCK-CYBMUJFWSA-N 1 2 332.831 3.559 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCCc3occc3C2)CCN1c1ccc(Cl)c(F)c1 ZINC000344266902 1043558051 /nfs/dbraw/zinc/55/80/51/1043558051.db2.gz LSFDKTDRZFUREM-INIZCTEOSA-N 1 2 348.805 3.626 20 0 EHADLO O=C1[C@@H]([N@H+]2CCCc3occc3C2)CCN1c1ccc(Cl)c(F)c1 ZINC000344266902 1043558062 /nfs/dbraw/zinc/55/80/62/1043558062.db2.gz LSFDKTDRZFUREM-INIZCTEOSA-N 1 2 348.805 3.626 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000153277462 1043735845 /nfs/dbraw/zinc/73/58/45/1043735845.db2.gz FWTROOZZQAMWHR-JXFKEZNVSA-N 1 2 348.450 3.829 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1-c1ccccc1 ZINC000162786911 1043781755 /nfs/dbraw/zinc/78/17/55/1043781755.db2.gz NYOQYANBMAFSOE-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO Cc1nc(CCNc2nc(C)[nH+]c(C)c2Br)sc1C ZINC000663719462 1043808112 /nfs/dbraw/zinc/80/81/12/1043808112.db2.gz MKVNEGSQSGYKCP-UHFFFAOYSA-N 1 2 341.278 3.584 20 0 EHADLO Cc1cccc([C@H](C)C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000150875622 1043812267 /nfs/dbraw/zinc/81/22/67/1043812267.db2.gz GYIFSIGENGEASX-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000279361380 1043997524 /nfs/dbraw/zinc/99/75/24/1043997524.db2.gz GBMMXZGUBMHFBX-UHFFFAOYSA-N 1 2 333.382 3.510 20 0 EHADLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000111900071 1044060733 /nfs/dbraw/zinc/06/07/33/1044060733.db2.gz UHQQEPIZRHANFU-KXBFYZLASA-N 1 2 338.455 3.506 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC000429809085 1044086832 /nfs/dbraw/zinc/08/68/32/1044086832.db2.gz QNIZPNKJDUXOMF-MRXNPFEDSA-N 1 2 333.435 3.916 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC000429809085 1044086846 /nfs/dbraw/zinc/08/68/46/1044086846.db2.gz QNIZPNKJDUXOMF-MRXNPFEDSA-N 1 2 333.435 3.916 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000344545937 1044115843 /nfs/dbraw/zinc/11/58/43/1044115843.db2.gz YDSFLFBQMVWPER-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]c1NC1C[C@H](C)O[C@@H](C)C1 ZINC000663763114 1044182016 /nfs/dbraw/zinc/18/20/16/1044182016.db2.gz LDGHOKPSIDPGIE-CGEFAEBTSA-N 1 2 348.491 3.521 20 0 EHADLO Cc1c(NC2C[C@H](C)O[C@@H](C)C2)nc[nH+]c1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000663763114 1044182019 /nfs/dbraw/zinc/18/20/19/1044182019.db2.gz LDGHOKPSIDPGIE-CGEFAEBTSA-N 1 2 348.491 3.521 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1cccc(F)c1)Cc1ccccc1 ZINC000279555578 1044225914 /nfs/dbraw/zinc/22/59/14/1044225914.db2.gz WYSOUZWPIJMHCQ-IBGZPJMESA-N 1 2 347.455 3.578 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)Cc1ccccc1 ZINC000279555578 1044225920 /nfs/dbraw/zinc/22/59/20/1044225920.db2.gz WYSOUZWPIJMHCQ-IBGZPJMESA-N 1 2 347.455 3.578 20 0 EHADLO CC(C)c1scnc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000344673474 1044270645 /nfs/dbraw/zinc/27/06/45/1044270645.db2.gz AKRINIQCYJXODI-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000344702557 1044308978 /nfs/dbraw/zinc/30/89/78/1044308978.db2.gz JQGVVRCEQFLXSB-MPNWYJEXSA-N 1 2 331.460 3.674 20 0 EHADLO CCCOCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001167879264 1044319821 /nfs/dbraw/zinc/31/98/21/1044319821.db2.gz JUNXURCTMFZEAX-UHFFFAOYSA-N 1 2 325.412 3.873 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000021821791 1044329616 /nfs/dbraw/zinc/32/96/16/1044329616.db2.gz JLJRZCBWVXXJLO-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000021821791 1044329631 /nfs/dbraw/zinc/32/96/31/1044329631.db2.gz JLJRZCBWVXXJLO-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3)CC2)s1 ZINC000512247055 1044377353 /nfs/dbraw/zinc/37/73/53/1044377353.db2.gz YNCUUZGAXVVOIS-UHFFFAOYSA-N 1 2 342.508 3.588 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+]Cc2nc3ccccc3n2C)on1 ZINC000637475240 1044455018 /nfs/dbraw/zinc/45/50/18/1044455018.db2.gz DPPDBYBMROUOBO-UHFFFAOYSA-N 1 2 348.406 3.527 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OCC ZINC000279725825 1044470777 /nfs/dbraw/zinc/47/07/77/1044470777.db2.gz MNZYWZHCWFWKHU-CQSZACIVSA-N 1 2 332.448 3.507 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279742088 1044504565 /nfs/dbraw/zinc/50/45/65/1044504565.db2.gz KQBWAWRLATZTCD-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279742088 1044504580 /nfs/dbraw/zinc/50/45/80/1044504580.db2.gz KQBWAWRLATZTCD-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cnc(N(C)C)s2)c2ccccn2)cc1 ZINC000279752840 1044531259 /nfs/dbraw/zinc/53/12/59/1044531259.db2.gz YVTNKVSNSJOWAL-GOSISDBHSA-N 1 2 338.480 3.792 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(OCC(F)(F)F)c3)ccc2[nH+]1 ZINC000432675444 1044742333 /nfs/dbraw/zinc/74/23/33/1044742333.db2.gz LAZIAEWDUWCJJH-UHFFFAOYSA-N 1 2 349.312 3.836 20 0 EHADLO O=C(NCCC1=CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279852675 1044749829 /nfs/dbraw/zinc/74/98/29/1044749829.db2.gz BBWCLNXSDJTTPI-UHFFFAOYSA-N 1 2 342.487 3.609 20 0 EHADLO C[C@H](CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000620340772 1125554172 /nfs/dbraw/zinc/55/41/72/1125554172.db2.gz SIGBJGZYOYHVQM-VXGBXAGGSA-N 1 2 325.334 3.730 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000620410796 1125566824 /nfs/dbraw/zinc/56/68/24/1125566824.db2.gz LWSYNYAHTQQWJG-UHFFFAOYSA-N 1 2 346.862 3.946 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2ccccc2)CCCCC1 ZINC000620412553 1125566858 /nfs/dbraw/zinc/56/68/58/1125566858.db2.gz KTKBONAZQJZFAG-UHFFFAOYSA-N 1 2 325.456 3.682 20 0 EHADLO CCn1cc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C(C)C)cn1 ZINC000649813388 1125608495 /nfs/dbraw/zinc/60/84/95/1125608495.db2.gz GMKKWTYRRVSPIF-UHFFFAOYSA-N 1 2 348.878 3.714 20 0 EHADLO CCn1cc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C(C)C)cn1 ZINC000649813388 1125608499 /nfs/dbraw/zinc/60/84/99/1125608499.db2.gz GMKKWTYRRVSPIF-UHFFFAOYSA-N 1 2 348.878 3.714 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cn(-c2ccccc2)nn1 ZINC000154064907 1125689642 /nfs/dbraw/zinc/68/96/42/1125689642.db2.gz QWXLZQUDAOJQJA-HNNXBMFYSA-N 1 2 348.450 3.832 20 0 EHADLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1Cl ZINC000169075812 1126715283 /nfs/dbraw/zinc/71/52/83/1126715283.db2.gz SYDXZSAFXLKHFZ-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO Cc1ccc(C)c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000622546245 1126715924 /nfs/dbraw/zinc/71/59/24/1126715924.db2.gz NIEQCFAYKZTTGD-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1ccc(C)c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000622546245 1126715927 /nfs/dbraw/zinc/71/59/27/1126715927.db2.gz NIEQCFAYKZTTGD-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000622527954 1126716508 /nfs/dbraw/zinc/71/65/08/1126716508.db2.gz MIQRHODBMQQGJO-UHFFFAOYSA-N 1 2 333.819 3.576 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622519248 1126713980 /nfs/dbraw/zinc/71/39/80/1126713980.db2.gz XKBZLDGNUMYEGI-OAHLLOKOSA-N 1 2 340.826 3.920 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622519248 1126713983 /nfs/dbraw/zinc/71/39/83/1126713983.db2.gz XKBZLDGNUMYEGI-OAHLLOKOSA-N 1 2 340.826 3.920 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)NCCc2cn(C)c[nH+]2)c1C ZINC000622685989 1126742824 /nfs/dbraw/zinc/74/28/24/1126742824.db2.gz UVJGTUAPYMLBFO-UHFFFAOYSA-N 1 2 348.450 3.753 20 0 EHADLO Fc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000172010787 1126774166 /nfs/dbraw/zinc/77/41/66/1126774166.db2.gz IVXZCPKWODRBGX-GOSISDBHSA-N 1 2 345.439 3.982 20 0 EHADLO Fc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000172010787 1126774170 /nfs/dbraw/zinc/77/41/70/1126774170.db2.gz IVXZCPKWODRBGX-GOSISDBHSA-N 1 2 345.439 3.982 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3C)cs2)cc1 ZINC000172589893 1126800379 /nfs/dbraw/zinc/80/03/79/1126800379.db2.gz UNLXIWVFMQTEHE-GFCCVEGCSA-N 1 2 348.493 3.534 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCSC[C@H]3C)cs2)cc1 ZINC000172589893 1126800381 /nfs/dbraw/zinc/80/03/81/1126800381.db2.gz UNLXIWVFMQTEHE-GFCCVEGCSA-N 1 2 348.493 3.534 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000336875987 1126813424 /nfs/dbraw/zinc/81/34/24/1126813424.db2.gz ONNTVAAGDMISPQ-HNNXBMFYSA-N 1 2 333.398 3.524 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000336875987 1126813427 /nfs/dbraw/zinc/81/34/27/1126813427.db2.gz ONNTVAAGDMISPQ-HNNXBMFYSA-N 1 2 333.398 3.524 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC000173890291 1126842301 /nfs/dbraw/zinc/84/23/01/1126842301.db2.gz MATMFVQAHIFFKH-HNNXBMFYSA-N 1 2 329.444 3.752 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCCc3ccccc3C2)n1 ZINC000173890291 1126842302 /nfs/dbraw/zinc/84/23/02/1126842302.db2.gz MATMFVQAHIFFKH-HNNXBMFYSA-N 1 2 329.444 3.752 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000174482519 1126853446 /nfs/dbraw/zinc/85/34/46/1126853446.db2.gz NSBIJSFAEDZJHR-SFHVURJKSA-N 1 2 343.402 3.644 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000623042692 1126859695 /nfs/dbraw/zinc/85/96/95/1126859695.db2.gz KLUOTQUCDHDMGT-CQSZACIVSA-N 1 2 333.863 3.927 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000623042692 1126859698 /nfs/dbraw/zinc/85/96/98/1126859698.db2.gz KLUOTQUCDHDMGT-CQSZACIVSA-N 1 2 333.863 3.927 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccc(O)c1 ZINC000342916330 1126872708 /nfs/dbraw/zinc/87/27/08/1126872708.db2.gz HXEMVXAGUBVGCI-CYBMUJFWSA-N 1 2 331.379 3.694 20 0 EHADLO CC(C)COC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000763831616 1126879520 /nfs/dbraw/zinc/87/95/20/1126879520.db2.gz IDHVHNAKNUDDON-UHFFFAOYSA-N 1 2 326.387 3.534 20 0 EHADLO C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CN(C)C2=O)c2ccsc2S1 ZINC000623234006 1126900540 /nfs/dbraw/zinc/90/05/40/1126900540.db2.gz ULBBVBQINRGBDS-XZJROXQQSA-N 1 2 344.505 3.976 20 0 EHADLO CCc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000623255167 1126903221 /nfs/dbraw/zinc/90/32/21/1126903221.db2.gz QZPJZDIYZHASLV-HNNXBMFYSA-N 1 2 337.448 3.529 20 0 EHADLO CC(C)(C)c1ccc(CCCCC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623267904 1126906172 /nfs/dbraw/zinc/90/61/72/1126906172.db2.gz APNJTZSVWRHMSP-SFHVURJKSA-N 1 2 339.483 3.635 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305757 1126911004 /nfs/dbraw/zinc/91/10/04/1126911004.db2.gz YYIKTDUPWSHQMR-NKELODKYSA-N 1 2 337.467 3.678 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000623351990 1126928365 /nfs/dbraw/zinc/92/83/65/1126928365.db2.gz KUNRJRWTWBBVAK-SNVBAGLBSA-N 1 2 344.406 3.936 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918652 1126934076 /nfs/dbraw/zinc/93/40/76/1126934076.db2.gz ULDPQIOVIYZJEH-HIFRSBDPSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918652 1126934077 /nfs/dbraw/zinc/93/40/77/1126934077.db2.gz ULDPQIOVIYZJEH-HIFRSBDPSA-N 1 2 343.500 3.889 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C(N)=O)c3ccccc3)oc21 ZINC000192794281 1126937696 /nfs/dbraw/zinc/93/76/96/1126937696.db2.gz FDZHIFHZMHIKGB-ACJLOTCBSA-N 1 2 338.407 3.709 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)c(Br)cn2)s1 ZINC000623441521 1126956884 /nfs/dbraw/zinc/95/68/84/1126956884.db2.gz YLLNRHDLKQNVPD-JTQLQIEISA-N 1 2 326.263 3.768 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1Cl ZINC000623451030 1126958597 /nfs/dbraw/zinc/95/85/97/1126958597.db2.gz ILICUJLNDCRNMQ-UHFFFAOYSA-N 1 2 339.695 3.667 20 0 EHADLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000072989293 1126966072 /nfs/dbraw/zinc/96/60/72/1126966072.db2.gz NQZKHQCCGXFFEB-HNNXBMFYSA-N 1 2 342.487 3.660 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000072989293 1126966075 /nfs/dbraw/zinc/96/60/75/1126966075.db2.gz NQZKHQCCGXFFEB-HNNXBMFYSA-N 1 2 342.487 3.660 20 0 EHADLO COc1cc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)ccc1Cl ZINC000623490779 1126966757 /nfs/dbraw/zinc/96/67/57/1126966757.db2.gz WTZUCOLGOJLZLR-ZDUSSCGKSA-N 1 2 325.742 3.850 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001238309534 1126974483 /nfs/dbraw/zinc/97/44/83/1126974483.db2.gz MIWSMQVPRYUEQF-QWRGUYRKSA-N 1 2 328.225 3.916 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001238309534 1126974485 /nfs/dbraw/zinc/97/44/85/1126974485.db2.gz MIWSMQVPRYUEQF-QWRGUYRKSA-N 1 2 328.225 3.916 20 0 EHADLO CC(C)(C)n1cc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cn1 ZINC000350937950 1127121324 /nfs/dbraw/zinc/12/13/24/1127121324.db2.gz IWIHIIJZYXIFTA-UHFFFAOYSA-N 1 2 348.410 3.600 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)NCCCCNc1cccc[nH+]1 ZINC000180420685 1127153741 /nfs/dbraw/zinc/15/37/41/1127153741.db2.gz LGFVAEADCXCHIP-UHFFFAOYSA-N 1 2 336.439 3.504 20 0 EHADLO c1ccc([C@H]2CCCN2c2nc(N3Cc4ccccc4C3)cc[nH+]2)nc1 ZINC000623885765 1127210246 /nfs/dbraw/zinc/21/02/46/1127210246.db2.gz IBBFEBONFBUPNZ-LJQANCHMSA-N 1 2 343.434 3.733 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)n1 ZINC000623978976 1127226745 /nfs/dbraw/zinc/22/67/45/1127226745.db2.gz MBLDETANXXADDP-DOTOQJQBSA-N 1 2 339.464 3.705 20 0 EHADLO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186075422 1127250211 /nfs/dbraw/zinc/25/02/11/1127250211.db2.gz JCARFNQBFGVWDT-ZJUUUORDSA-N 1 2 348.256 3.742 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccc(OC2CCCCC2)cc1 ZINC000624104580 1127251933 /nfs/dbraw/zinc/25/19/33/1127251933.db2.gz KBRJHJKGGOBHCI-UHFFFAOYSA-N 1 2 341.455 3.691 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(F)cc1F ZINC000181673358 1127288638 /nfs/dbraw/zinc/28/86/38/1127288638.db2.gz YTBNAXFCHXOZEJ-QGZVFWFLSA-N 1 2 343.381 3.572 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000181733678 1127292450 /nfs/dbraw/zinc/29/24/50/1127292450.db2.gz VUKUHXLVKVADJA-ZDUSSCGKSA-N 1 2 346.833 3.715 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182617635 1127339664 /nfs/dbraw/zinc/33/96/64/1127339664.db2.gz WOPZJIZQVFBRRY-OAHLLOKOSA-N 1 2 331.378 3.894 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182617635 1127339668 /nfs/dbraw/zinc/33/96/68/1127339668.db2.gz WOPZJIZQVFBRRY-OAHLLOKOSA-N 1 2 331.378 3.894 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000182652581 1127341614 /nfs/dbraw/zinc/34/16/14/1127341614.db2.gz ZUHBFZWNLVMUAS-CYBMUJFWSA-N 1 2 342.443 3.992 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000182727536 1127345416 /nfs/dbraw/zinc/34/54/16/1127345416.db2.gz VOHZBDHSTWSHNG-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000182727536 1127345421 /nfs/dbraw/zinc/34/54/21/1127345421.db2.gz VOHZBDHSTWSHNG-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000182797206 1127348516 /nfs/dbraw/zinc/34/85/16/1127348516.db2.gz HDMMAYAEKZHOMU-QGZVFWFLSA-N 1 2 330.815 3.784 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nccn2C(C)C)cnn1-c1ccc(F)cc1 ZINC000182996830 1127358107 /nfs/dbraw/zinc/35/81/07/1127358107.db2.gz SLNKGMVGYLVZEL-AWEZNQCLSA-N 1 2 341.434 3.948 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000183120560 1127363439 /nfs/dbraw/zinc/36/34/39/1127363439.db2.gz FVWQZPFBHZNMQD-MWTRTKDXSA-N 1 2 346.477 3.613 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)CCC2 ZINC000654423231 1127389443 /nfs/dbraw/zinc/38/94/43/1127389443.db2.gz HSVKCJUDFHJIFP-MRXNPFEDSA-N 1 2 335.407 3.939 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183981952 1127391363 /nfs/dbraw/zinc/39/13/63/1127391363.db2.gz PXMVOHXFMHLZSF-GFCCVEGCSA-N 1 2 345.468 3.506 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184488030 1127405881 /nfs/dbraw/zinc/40/58/81/1127405881.db2.gz JOXJTCBCVCBJBZ-MJBXVCDLSA-N 1 2 337.533 3.881 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC000184460497 1127405485 /nfs/dbraw/zinc/40/54/85/1127405485.db2.gz IWSUAHFCQWUWKZ-GFCCVEGCSA-N 1 2 325.522 3.644 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000184503299 1127407259 /nfs/dbraw/zinc/40/72/59/1127407259.db2.gz QGOPJBFXFIVJLK-GFCCVEGCSA-N 1 2 349.475 3.547 20 0 EHADLO O=C(/C=C\c1ccc(O)cc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000764035080 1127411717 /nfs/dbraw/zinc/41/17/17/1127411717.db2.gz SCLPFPCUXPUNLA-BAQGIRSFSA-N 1 2 339.782 3.883 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)cs1 ZINC000184702060 1127412018 /nfs/dbraw/zinc/41/20/18/1127412018.db2.gz GKFZAAOGBBRLSZ-KGLIPLIRSA-N 1 2 325.522 3.687 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1nnc2n1CCCCC2 ZINC000368525503 1127415929 /nfs/dbraw/zinc/41/59/29/1127415929.db2.gz DVXMHEBBDCJBEA-CQSZACIVSA-N 1 2 340.471 3.569 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1nccs1 ZINC000185040595 1127418887 /nfs/dbraw/zinc/41/88/87/1127418887.db2.gz FRTAZHLYFZOVHA-RISCZKNCSA-N 1 2 337.876 3.715 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)c1nccs1 ZINC000185106601 1127420636 /nfs/dbraw/zinc/42/06/36/1127420636.db2.gz CVZLFOMHXMWYFF-RDJZCZTQSA-N 1 2 349.475 3.836 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c(F)c1 ZINC000185338644 1127425087 /nfs/dbraw/zinc/42/50/87/1127425087.db2.gz IHOFOEVCCAERCV-OAHLLOKOSA-N 1 2 334.416 3.618 20 0 EHADLO C[C@H](NC(=O)N1CCCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185558878 1127427677 /nfs/dbraw/zinc/42/76/77/1127427677.db2.gz BCISWYQITXGPSX-CVEARBPZSA-N 1 2 326.444 3.765 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@H]2C)nc1-c1ccccn1 ZINC000765017237 1127565902 /nfs/dbraw/zinc/56/59/02/1127565902.db2.gz ZMVGCKTUEWXTDB-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@H]2C)nc1-c1ccccn1 ZINC000765017237 1127565904 /nfs/dbraw/zinc/56/59/04/1127565904.db2.gz ZMVGCKTUEWXTDB-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765036542 1127565940 /nfs/dbraw/zinc/56/59/40/1127565940.db2.gz HTLMRURQCWJYSG-SFHVURJKSA-N 1 2 341.499 3.954 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000921519020 1127622187 /nfs/dbraw/zinc/62/21/87/1127622187.db2.gz NAEJHYBOYVLGNQ-OAHLLOKOSA-N 1 2 337.345 3.643 20 0 EHADLO CCOc1ccc(Oc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)cc1 ZINC000010809635 1127633925 /nfs/dbraw/zinc/63/39/25/1127633925.db2.gz UULROZAUCABOFK-UHFFFAOYSA-N 1 2 337.379 3.713 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000014923617 1127649457 /nfs/dbraw/zinc/64/94/57/1127649457.db2.gz MWOVQSSVDCVITM-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000014923617 1127649459 /nfs/dbraw/zinc/64/94/59/1127649459.db2.gz MWOVQSSVDCVITM-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccco1 ZINC000014933255 1127649473 /nfs/dbraw/zinc/64/94/73/1127649473.db2.gz IFGUXOZNYDOLOW-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccco1 ZINC000014933255 1127649475 /nfs/dbraw/zinc/64/94/75/1127649475.db2.gz IFGUXOZNYDOLOW-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000015294557 1127651756 /nfs/dbraw/zinc/65/17/56/1127651756.db2.gz GDUTZBAYEIFRPC-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000015294557 1127651757 /nfs/dbraw/zinc/65/17/57/1127651757.db2.gz GDUTZBAYEIFRPC-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)o1 ZINC000015296557 1127652157 /nfs/dbraw/zinc/65/21/57/1127652157.db2.gz ANJRPPXIBPQKOS-LJQANCHMSA-N 1 2 328.456 3.923 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)o1 ZINC000015296557 1127652160 /nfs/dbraw/zinc/65/21/60/1127652160.db2.gz ANJRPPXIBPQKOS-LJQANCHMSA-N 1 2 328.456 3.923 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)s1 ZINC000020542007 1127679006 /nfs/dbraw/zinc/67/90/06/1127679006.db2.gz OMWIACAOXJCZEA-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3cccc(Cl)c3)CCC2)n1 ZINC000265551264 1127680358 /nfs/dbraw/zinc/68/03/58/1127680358.db2.gz YUSVSVNMDYSHLP-UHFFFAOYSA-N 1 2 335.860 3.712 20 0 EHADLO Cc1ccc(C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022289303 1127691261 /nfs/dbraw/zinc/69/12/61/1127691261.db2.gz YCGUAUDZZAMQQR-UHFFFAOYSA-N 1 2 329.469 3.998 20 0 EHADLO O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050597 1127702024 /nfs/dbraw/zinc/70/20/24/1127702024.db2.gz CXZNRUSJNVUDAO-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000024049857 1127702101 /nfs/dbraw/zinc/70/21/01/1127702101.db2.gz CWXCREUPCKEKDJ-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO CCc1cc2c(ncnc2NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000024201776 1127702897 /nfs/dbraw/zinc/70/28/97/1127702897.db2.gz RBYBJPCETVOGLW-UHFFFAOYSA-N 1 2 339.468 3.861 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](OC)c2ccccc2)n1 ZINC000338544431 1127797228 /nfs/dbraw/zinc/79/72/28/1127797228.db2.gz ACSXKKFOONDHPP-UKRRQHHQSA-N 1 2 335.473 3.703 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)c2ccccc2)n1 ZINC000338544431 1127797231 /nfs/dbraw/zinc/79/72/31/1127797231.db2.gz ACSXKKFOONDHPP-UKRRQHHQSA-N 1 2 335.473 3.703 20 0 EHADLO c1[nH+]cn2c1c(N1CC3(CCC3)[C@H]1C1CCOCC1)nc1ccccc12 ZINC000624296740 1127819672 /nfs/dbraw/zinc/81/96/72/1127819672.db2.gz GQDWWPRIXNSPRH-LJQANCHMSA-N 1 2 348.450 3.668 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000338573466 1127840739 /nfs/dbraw/zinc/84/07/39/1127840739.db2.gz ROIIDOFJSMUNDI-KNTRFNDTSA-N 1 2 337.467 3.659 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C2CCCC2)C[C@H](C)O1 ZINC000172293566 1127874266 /nfs/dbraw/zinc/87/42/66/1127874266.db2.gz CTQYROFZZFMOLE-HOTGVXAUSA-N 1 2 345.487 3.702 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042297741 1127889210 /nfs/dbraw/zinc/88/92/10/1127889210.db2.gz ODOQFQPKAREXAD-IAGOWNOFSA-N 1 2 340.467 3.701 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042297741 1127889217 /nfs/dbraw/zinc/88/92/17/1127889217.db2.gz ODOQFQPKAREXAD-IAGOWNOFSA-N 1 2 340.467 3.701 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677779 1127891798 /nfs/dbraw/zinc/89/17/98/1127891798.db2.gz PRNLNSBYAGQVCM-MNOVXSKESA-N 1 2 336.785 3.790 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677779 1127891802 /nfs/dbraw/zinc/89/18/02/1127891802.db2.gz PRNLNSBYAGQVCM-MNOVXSKESA-N 1 2 336.785 3.790 20 0 EHADLO CO[C@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000042739658 1127899403 /nfs/dbraw/zinc/89/94/03/1127899403.db2.gz AYOVDNZZZHHXLQ-GOSISDBHSA-N 1 2 345.406 3.615 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000172333645 1127902718 /nfs/dbraw/zinc/90/27/18/1127902718.db2.gz BSXKZVTWFONJBX-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000172333645 1127902721 /nfs/dbraw/zinc/90/27/21/1127902721.db2.gz BSXKZVTWFONJBX-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043277583 1127916188 /nfs/dbraw/zinc/91/61/88/1127916188.db2.gz YKQQJNOMRCWLAC-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043421323 1127919643 /nfs/dbraw/zinc/91/96/43/1127919643.db2.gz MNFSMXMAIRSOMD-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc2cccnc21 ZINC000043529321 1127922172 /nfs/dbraw/zinc/92/21/72/1127922172.db2.gz RBDJIPOYTIOILD-UHFFFAOYSA-N 1 2 347.422 3.552 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000044366613 1127935924 /nfs/dbraw/zinc/93/59/24/1127935924.db2.gz DWEMUXJHSYNMDY-UHFFFAOYSA-N 1 2 342.508 3.724 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605977 1127956026 /nfs/dbraw/zinc/95/60/26/1127956026.db2.gz ZULRYGKEUXONBR-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000045710727 1127957528 /nfs/dbraw/zinc/95/75/28/1127957528.db2.gz BTEWQJGNDVBULY-UHFFFAOYSA-N 1 2 349.409 3.875 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360116 1127980275 /nfs/dbraw/zinc/98/02/75/1127980275.db2.gz JSZCMDZMVZCJFN-UHFFFAOYSA-N 1 2 327.428 3.799 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(-n2cccn2)cc1 ZINC000347502499 1128017334 /nfs/dbraw/zinc/01/73/34/1128017334.db2.gz ZRNZRBXSLZSUJH-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(-n2cccn2)cc1 ZINC000347502499 1128017338 /nfs/dbraw/zinc/01/73/38/1128017338.db2.gz ZRNZRBXSLZSUJH-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ncc(-c2ccccc2)s1 ZINC000056567972 1128023333 /nfs/dbraw/zinc/02/33/33/1128023333.db2.gz YSTYSOLFMTUJMD-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO O=C1CCCCc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc21 ZINC001212364309 1128029061 /nfs/dbraw/zinc/02/90/61/1128029061.db2.gz CYZFXDOYCRBMAK-UHFFFAOYSA-N 1 2 337.423 3.571 20 0 EHADLO NC(=[NH+]OCc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000026776923 1128037664 /nfs/dbraw/zinc/03/76/64/1128037664.db2.gz UNQLWDOLKCJYMP-UHFFFAOYSA-N 1 2 327.771 3.832 20 0 EHADLO CC(C)n1ncc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc21 ZINC001212366433 1128041220 /nfs/dbraw/zinc/04/12/20/1128041220.db2.gz OZCALILTUZTBLB-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000058644224 1128075654 /nfs/dbraw/zinc/07/56/54/1128075654.db2.gz CMBVVGVZMVXLTR-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000058644224 1128075658 /nfs/dbraw/zinc/07/56/58/1128075658.db2.gz CMBVVGVZMVXLTR-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](C)c2ccc(F)cc2)c1C ZINC000058958860 1128086121 /nfs/dbraw/zinc/08/61/21/1128086121.db2.gz UVWWZZZCGSBRNX-ZDUSSCGKSA-N 1 2 344.430 3.998 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nccc(OC)c1OC ZINC000347565689 1128096574 /nfs/dbraw/zinc/09/65/74/1128096574.db2.gz VMUQCKWJMNDYRE-MRXNPFEDSA-N 1 2 330.428 3.691 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nccc(OC)c1OC ZINC000347565689 1128096576 /nfs/dbraw/zinc/09/65/76/1128096576.db2.gz VMUQCKWJMNDYRE-MRXNPFEDSA-N 1 2 330.428 3.691 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000060407805 1128100988 /nfs/dbraw/zinc/10/09/88/1128100988.db2.gz PCIDNHUZBVTXLL-KRWDZBQOSA-N 1 2 343.471 3.679 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000063994847 1128161960 /nfs/dbraw/zinc/16/19/60/1128161960.db2.gz RBKMYVGVDYRFOO-UHFFFAOYSA-N 1 2 332.473 3.872 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740575 1128179792 /nfs/dbraw/zinc/17/97/92/1128179792.db2.gz YUBJZXVZFICBLE-ACJLOTCBSA-N 1 2 348.406 3.707 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)no1 ZINC000067718600 1128248688 /nfs/dbraw/zinc/24/86/88/1128248688.db2.gz ZJGUMKHFCBEDTE-UHFFFAOYSA-N 1 2 326.371 3.991 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1csc(C)c1 ZINC000671751471 1128206040 /nfs/dbraw/zinc/20/60/40/1128206040.db2.gz FOAMENYWJPSEDM-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO O=C(C[C@H]1CCCc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000068422045 1128266015 /nfs/dbraw/zinc/26/60/15/1128266015.db2.gz MLXKRYLBJNQCJA-GOSISDBHSA-N 1 2 337.467 3.900 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(OCCC(C)C)c1 ZINC000654881226 1128215476 /nfs/dbraw/zinc/21/54/76/1128215476.db2.gz GGEVCCODQBFNHW-INIZCTEOSA-N 1 2 343.471 3.638 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(OCCC(C)C)c1 ZINC000654881226 1128215480 /nfs/dbraw/zinc/21/54/80/1128215480.db2.gz GGEVCCODQBFNHW-INIZCTEOSA-N 1 2 343.471 3.638 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(COc2ccccc2)cc1 ZINC000066485107 1128219097 /nfs/dbraw/zinc/21/90/97/1128219097.db2.gz QGQUADQYCMOADE-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000072879163 1128308821 /nfs/dbraw/zinc/30/88/21/1128308821.db2.gz KNVYTMGMSFAOGV-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000072879163 1128308825 /nfs/dbraw/zinc/30/88/25/1128308825.db2.gz KNVYTMGMSFAOGV-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO CC[C@@H](CCc1ccccc1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000624563531 1128394122 /nfs/dbraw/zinc/39/41/22/1128394122.db2.gz QJZMGDHURQLTPA-SFHVURJKSA-N 1 2 336.439 3.545 20 0 EHADLO CC(C)O[C@@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C1(C)C ZINC000765810528 1128422849 /nfs/dbraw/zinc/42/28/49/1128422849.db2.gz NDKHSUZLAIOGSW-RTBURBONSA-N 1 2 343.471 3.966 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444892789 1128436128 /nfs/dbraw/zinc/43/61/28/1128436128.db2.gz BWCULRFGSMBLBF-ZBFHGGJFSA-N 1 2 342.443 3.539 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)cc2)[nH+]c1C ZINC000921655384 1128437461 /nfs/dbraw/zinc/43/74/61/1128437461.db2.gz ROVOZIDPHWYTOH-PIGZYNQJSA-N 1 2 349.438 3.721 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CC[C@@H](C)O3)cc2)[nH+]c1C ZINC000921662764 1128440625 /nfs/dbraw/zinc/44/06/25/1128440625.db2.gz ZDKXMGZPCRTGLK-PXAZEXFGSA-N 1 2 327.428 3.980 20 0 EHADLO COC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCCCC1 ZINC000921663052 1128440997 /nfs/dbraw/zinc/44/09/97/1128440997.db2.gz RVBBPICZYQEWIV-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO C[C@@H](CNC(=O)CCCc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000473869640 1128459827 /nfs/dbraw/zinc/45/98/27/1128459827.db2.gz TYDNSTNQDCGIIK-KRWDZBQOSA-N 1 2 341.499 3.956 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2scnc2Cl)C1 ZINC001137817300 1128462855 /nfs/dbraw/zinc/46/28/55/1128462855.db2.gz LXBPIUGMUZQHPC-NSHDSACASA-N 1 2 345.896 3.676 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2scnc2Cl)C1 ZINC001137817300 1128462856 /nfs/dbraw/zinc/46/28/56/1128462856.db2.gz LXBPIUGMUZQHPC-NSHDSACASA-N 1 2 345.896 3.676 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168628485 1128484657 /nfs/dbraw/zinc/48/46/57/1128484657.db2.gz FLAXRXADWQFPQT-YTQUADARSA-N 1 2 349.471 3.627 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636688 1128531349 /nfs/dbraw/zinc/53/13/49/1128531349.db2.gz QJJXOWDGNBASFI-UNEWFSDZSA-N 1 2 325.399 3.892 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636688 1128531352 /nfs/dbraw/zinc/53/13/52/1128531352.db2.gz QJJXOWDGNBASFI-UNEWFSDZSA-N 1 2 325.399 3.892 20 0 EHADLO COC(=O)c1cc(C[N@H+](Cc2ccco2)Cc2cccs2)cn1C ZINC000347658866 1128545379 /nfs/dbraw/zinc/54/53/79/1128545379.db2.gz WUUZJJVCEDHZJF-UHFFFAOYSA-N 1 2 344.436 3.669 20 0 EHADLO COC(=O)c1cc(C[N@@H+](Cc2ccco2)Cc2cccs2)cn1C ZINC000347658866 1128545383 /nfs/dbraw/zinc/54/53/83/1128545383.db2.gz WUUZJJVCEDHZJF-UHFFFAOYSA-N 1 2 344.436 3.669 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000542708563 1128550933 /nfs/dbraw/zinc/55/09/33/1128550933.db2.gz FMSNENBYZLJFDB-UHFFFAOYSA-N 1 2 329.444 3.630 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000542708563 1128550934 /nfs/dbraw/zinc/55/09/34/1128550934.db2.gz FMSNENBYZLJFDB-UHFFFAOYSA-N 1 2 329.444 3.630 20 0 EHADLO Fc1ccc(C[N@H+](CC2CC2)Cn2nc3ccccn3c2=S)cc1 ZINC000734477677 1131243221 /nfs/dbraw/zinc/24/32/21/1131243221.db2.gz JPMDGEXZSLAQHL-UHFFFAOYSA-N 1 2 342.443 3.874 20 0 EHADLO Fc1ccc(C[N@@H+](CC2CC2)Cn2nc3ccccn3c2=S)cc1 ZINC000734477677 1131243225 /nfs/dbraw/zinc/24/32/25/1131243225.db2.gz JPMDGEXZSLAQHL-UHFFFAOYSA-N 1 2 342.443 3.874 20 0 EHADLO O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000057392505 1128635573 /nfs/dbraw/zinc/63/55/73/1128635573.db2.gz BIZHZUZXVYTBLE-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3/C=C\c3ccccc3)[nH+]c12 ZINC000542804659 1128642267 /nfs/dbraw/zinc/64/22/67/1128642267.db2.gz SBPZNNHRHMHHKL-ZCPJJFRWSA-N 1 2 345.446 3.890 20 0 EHADLO CSc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000060463080 1128731729 /nfs/dbraw/zinc/73/17/29/1128731729.db2.gz VZIGKEOMDGFJNF-UHFFFAOYSA-N 1 2 342.508 3.605 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(C(C)(C)C)co3)CCOCC2)cc1 ZINC000921777818 1128752254 /nfs/dbraw/zinc/75/22/54/1128752254.db2.gz MYJKUTNXHLAHPZ-UHFFFAOYSA-N 1 2 344.455 3.776 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cnn(CC4CCC4)c3)co2)cc1 ZINC000921807834 1128780314 /nfs/dbraw/zinc/78/03/14/1128780314.db2.gz QSLVNMGJHYWREC-UHFFFAOYSA-N 1 2 336.439 3.936 20 0 EHADLO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1nc(C(F)(F)F)cs1 ZINC000921808355 1128780486 /nfs/dbraw/zinc/78/04/86/1128780486.db2.gz XXYGMCVQVCBHEL-SNVBAGLBSA-N 1 2 344.406 3.625 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c2ccccc21 ZINC000672147714 1128800977 /nfs/dbraw/zinc/80/09/77/1128800977.db2.gz UXIGLWXEZZKNQN-YRNRMSPPSA-N 1 2 337.467 3.631 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1c(F)cccc1F ZINC000542886324 1128805608 /nfs/dbraw/zinc/80/56/08/1128805608.db2.gz CFOIGSHHRDHMET-MRXNPFEDSA-N 1 2 348.780 3.990 20 0 EHADLO CO[C@H](C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933481 1128868657 /nfs/dbraw/zinc/86/86/57/1128868657.db2.gz OETADKNZVXNMOU-ABAIWWIYSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@H](C)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933481 1128868662 /nfs/dbraw/zinc/86/86/62/1128868662.db2.gz OETADKNZVXNMOU-ABAIWWIYSA-N 1 2 345.270 3.821 20 0 EHADLO COc1ccc(CNc2ccccc2OCCn2cc[nH+]c2)c(C)c1 ZINC000921880932 1128872421 /nfs/dbraw/zinc/87/24/21/1128872421.db2.gz ORZLFXGKJYZSHP-UHFFFAOYSA-N 1 2 337.423 3.891 20 0 EHADLO C[C@@H](Cc1ccco1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670366775 1120036242 /nfs/dbraw/zinc/03/62/42/1120036242.db2.gz VBLZMVHEVZKEKT-ZDUSSCGKSA-N 1 2 338.411 3.647 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001648851127 1120054363 /nfs/dbraw/zinc/05/43/63/1120054363.db2.gz VZQPQPJPFGPNTK-KFWWJZLASA-N 1 2 337.414 3.699 20 0 EHADLO Cc1cccn2c(CNc3ccc(N4CCCC4=O)c(C)c3)c[nH+]c12 ZINC001648864035 1120057006 /nfs/dbraw/zinc/05/70/06/1120057006.db2.gz AKCFLRDTZUAKBS-UHFFFAOYSA-N 1 2 334.423 3.690 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000129083984 1120140843 /nfs/dbraw/zinc/14/08/43/1120140843.db2.gz MXGYQTDCLBTKMT-UHFFFAOYSA-N 1 2 335.455 3.782 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000652065504 1120224626 /nfs/dbraw/zinc/22/46/26/1120224626.db2.gz YDWPAEJBSGVBCI-HDJSIYSDSA-N 1 2 345.834 3.675 20 0 EHADLO Fc1cccn2cc(C[NH2+]Cc3ccccc3Br)nc12 ZINC001648959636 1120280981 /nfs/dbraw/zinc/28/09/81/1120280981.db2.gz BLGRFYOZWVJNTN-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO CC[C@H](C)C[C@@H](C)Nc1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001168695187 1128913221 /nfs/dbraw/zinc/91/32/21/1128913221.db2.gz SWQWNLHWJXCVHO-DLBZAZTESA-N 1 2 333.520 3.679 20 0 EHADLO CC[C@H](C)C[C@H](C)Nc1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001168695196 1128913316 /nfs/dbraw/zinc/91/33/16/1128913316.db2.gz SWQWNLHWJXCVHO-IRXDYDNUSA-N 1 2 333.520 3.679 20 0 EHADLO CC(C)C[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000184885256 1120391508 /nfs/dbraw/zinc/39/15/08/1120391508.db2.gz VBWPBRLBVKLJAY-HNNXBMFYSA-N 1 2 329.444 3.718 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccccc1 ZINC000185175835 1120403261 /nfs/dbraw/zinc/40/32/61/1120403261.db2.gz FFBHSHRVTFPRSU-FQEVSTJZSA-N 1 2 343.398 3.609 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccccc1 ZINC000185175835 1120403262 /nfs/dbraw/zinc/40/32/62/1120403262.db2.gz FFBHSHRVTFPRSU-FQEVSTJZSA-N 1 2 343.398 3.609 20 0 EHADLO CCSCc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000185323439 1120409543 /nfs/dbraw/zinc/40/95/43/1120409543.db2.gz ALKVUSXRQZUMBX-UHFFFAOYSA-N 1 2 346.387 3.505 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186223987 1120450429 /nfs/dbraw/zinc/45/04/29/1120450429.db2.gz BSBRUVJKRNGMCB-UHFFFAOYSA-N 1 2 335.382 3.923 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186223987 1120450430 /nfs/dbraw/zinc/45/04/30/1120450430.db2.gz BSBRUVJKRNGMCB-UHFFFAOYSA-N 1 2 335.382 3.923 20 0 EHADLO Cc1c(C[N@H+](C)Cc2cc(Br)ccc2Cl)cnn1C ZINC000494267122 1120524319 /nfs/dbraw/zinc/52/43/19/1120524319.db2.gz DJAWNQDJACVXRV-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000494268227 1120524470 /nfs/dbraw/zinc/52/44/70/1120524470.db2.gz NAYAGVQGVFOWGJ-PTNGSMBKSA-N 1 2 341.455 3.946 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000494268227 1120524472 /nfs/dbraw/zinc/52/44/72/1120524472.db2.gz NAYAGVQGVFOWGJ-PTNGSMBKSA-N 1 2 341.455 3.946 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190159429 1120628297 /nfs/dbraw/zinc/62/82/97/1120628297.db2.gz SJQDKJNOVNEEMH-LLVKDONJSA-N 1 2 335.391 3.945 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190159429 1120628300 /nfs/dbraw/zinc/62/83/00/1120628300.db2.gz SJQDKJNOVNEEMH-LLVKDONJSA-N 1 2 335.391 3.945 20 0 EHADLO CC(C)n1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000190693499 1120646899 /nfs/dbraw/zinc/64/68/99/1120646899.db2.gz ZWCYAAJQBMZGSG-UHFFFAOYSA-N 1 2 329.791 3.555 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2OC)n1 ZINC000190986381 1120657531 /nfs/dbraw/zinc/65/75/31/1120657531.db2.gz AMBGFMHAPWMIDM-NRFANRHFSA-N 1 2 334.419 3.978 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000494644448 1120712077 /nfs/dbraw/zinc/71/20/77/1120712077.db2.gz BNERSQVTWHFPFX-CQSZACIVSA-N 1 2 332.400 3.674 20 0 EHADLO Clc1ncsc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761654600 1120730916 /nfs/dbraw/zinc/73/09/16/1120730916.db2.gz YPPCBPFMTZPZFF-UHFFFAOYSA-N 1 2 343.799 3.758 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494711361 1120738460 /nfs/dbraw/zinc/73/84/60/1120738460.db2.gz RYZBZBXSIDSWTE-HNNXBMFYSA-N 1 2 331.435 3.586 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494711361 1120738464 /nfs/dbraw/zinc/73/84/64/1120738464.db2.gz RYZBZBXSIDSWTE-HNNXBMFYSA-N 1 2 331.435 3.586 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000672327503 1128937487 /nfs/dbraw/zinc/93/74/87/1128937487.db2.gz ITIOVWXUNYIKQV-OKZBNKHCSA-N 1 2 338.455 3.871 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000192792944 1120748849 /nfs/dbraw/zinc/74/88/49/1120748849.db2.gz CFAXLYZRIWFQNU-ATWMFIQVSA-N 1 2 332.473 3.655 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000192792944 1120748852 /nfs/dbraw/zinc/74/88/52/1120748852.db2.gz CFAXLYZRIWFQNU-ATWMFIQVSA-N 1 2 332.473 3.655 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000193066286 1120757947 /nfs/dbraw/zinc/75/79/47/1120757947.db2.gz VIZBBIREBUECPQ-ZDUSSCGKSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000193066286 1120757952 /nfs/dbraw/zinc/75/79/52/1120757952.db2.gz VIZBBIREBUECPQ-ZDUSSCGKSA-N 1 2 325.334 3.819 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194056765 1120819185 /nfs/dbraw/zinc/81/91/85/1120819185.db2.gz XJGPIWFNKQVWBN-QFBILLFUSA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)s2)CCN1CC(F)F ZINC000194419969 1120842937 /nfs/dbraw/zinc/84/29/37/1120842937.db2.gz CYFDIFONMNTNQF-GFCCVEGCSA-N 1 2 341.427 3.564 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)s2)CCN1CC(F)F ZINC000194419969 1120842940 /nfs/dbraw/zinc/84/29/40/1120842940.db2.gz CYFDIFONMNTNQF-GFCCVEGCSA-N 1 2 341.427 3.564 20 0 EHADLO CCN(CC)c1ccc(NC2CCC(c3nc(C)no3)CC2)c[nH+]1 ZINC000494817130 1120863425 /nfs/dbraw/zinc/86/34/25/1120863425.db2.gz YGJCVRJZZUYZLA-UHFFFAOYSA-N 1 2 329.448 3.758 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000194947315 1120872424 /nfs/dbraw/zinc/87/24/24/1120872424.db2.gz RJQMXBMDTNFHOU-CABCVRRESA-N 1 2 331.213 3.895 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000542521567 1120900229 /nfs/dbraw/zinc/90/02/29/1120900229.db2.gz ODTPPBZKHUISLK-XJKSGUPXSA-N 1 2 331.485 3.624 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)c(F)cc1Br)n1cc[nH+]c1 ZINC001127313645 1120937736 /nfs/dbraw/zinc/93/77/36/1120937736.db2.gz MCGCZPVPUZIENA-MRVPVSSYSA-N 1 2 344.159 3.514 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC000914789945 1120988830 /nfs/dbraw/zinc/98/88/30/1120988830.db2.gz DVBNTXMGPKGRTD-CQSZACIVSA-N 1 2 335.835 3.890 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC000914789945 1120988834 /nfs/dbraw/zinc/98/88/34/1120988834.db2.gz DVBNTXMGPKGRTD-CQSZACIVSA-N 1 2 335.835 3.890 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3ccnc3CC)c2C1 ZINC000648765102 1121090582 /nfs/dbraw/zinc/09/05/82/1121090582.db2.gz TXTHBQMBRCVJRZ-OAHLLOKOSA-N 1 2 340.471 3.761 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3ccnc3CC)c2C1 ZINC000648765102 1121090590 /nfs/dbraw/zinc/09/05/90/1121090590.db2.gz TXTHBQMBRCVJRZ-OAHLLOKOSA-N 1 2 340.471 3.761 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000302754864 1121101130 /nfs/dbraw/zinc/10/11/30/1121101130.db2.gz JVZYYXCLGNCXKP-CYBMUJFWSA-N 1 2 335.860 3.744 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000302754864 1121101134 /nfs/dbraw/zinc/10/11/34/1121101134.db2.gz JVZYYXCLGNCXKP-CYBMUJFWSA-N 1 2 335.860 3.744 20 0 EHADLO CC(C)c1ccsc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053513600 1121104190 /nfs/dbraw/zinc/10/41/90/1121104190.db2.gz UFLDVCKOGLZAAB-UHFFFAOYSA-N 1 2 329.469 3.665 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC4(CCC4)C[C@H]3C)c(=O)c2c(C)c1C ZINC000762140615 1121128251 /nfs/dbraw/zinc/12/82/51/1121128251.db2.gz HDDKERHYMNFQSI-LLVKDONJSA-N 1 2 331.485 3.605 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC4(CCC4)C[C@H]3C)c(=O)c2c(C)c1C ZINC000762140615 1121128254 /nfs/dbraw/zinc/12/82/54/1121128254.db2.gz HDDKERHYMNFQSI-LLVKDONJSA-N 1 2 331.485 3.605 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H]1CCC2(CCCCCC2)O1 ZINC000929258883 1128974373 /nfs/dbraw/zinc/97/43/73/1128974373.db2.gz IOJLYQDHSDXUEP-AWEZNQCLSA-N 1 2 327.419 3.982 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)C[C@@H]1CCC2(CCCCCC2)O1 ZINC000929258883 1128974378 /nfs/dbraw/zinc/97/43/78/1128974378.db2.gz IOJLYQDHSDXUEP-AWEZNQCLSA-N 1 2 327.419 3.982 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000053608270 1121319479 /nfs/dbraw/zinc/31/94/79/1121319479.db2.gz JAOXAUWECIFJKR-CYBMUJFWSA-N 1 2 326.400 3.714 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000053608270 1121319486 /nfs/dbraw/zinc/31/94/86/1121319486.db2.gz JAOXAUWECIFJKR-CYBMUJFWSA-N 1 2 326.400 3.714 20 0 EHADLO Cc1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc[nH+]1 ZINC000010163492 1121448966 /nfs/dbraw/zinc/44/89/66/1121448966.db2.gz BLNHSTLUKOEYNX-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)Cc1cccc(F)c1 ZINC001168496446 1121525521 /nfs/dbraw/zinc/52/55/21/1121525521.db2.gz JEWJIIUISUAXKE-AWEZNQCLSA-N 1 2 335.444 3.884 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)Cc1cccc(F)c1 ZINC001168496446 1121525526 /nfs/dbraw/zinc/52/55/26/1121525526.db2.gz JEWJIIUISUAXKE-AWEZNQCLSA-N 1 2 335.444 3.884 20 0 EHADLO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C1CC1 ZINC000915508448 1121531219 /nfs/dbraw/zinc/53/12/19/1121531219.db2.gz ZVPSSENJIHBHGO-OAHLLOKOSA-N 1 2 342.512 3.813 20 0 EHADLO COc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)cc1 ZINC000495914900 1121570975 /nfs/dbraw/zinc/57/09/75/1121570975.db2.gz NHOBVQYGKACJER-UHFFFAOYSA-N 1 2 343.427 3.727 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001168499177 1121632148 /nfs/dbraw/zinc/63/21/48/1121632148.db2.gz XEYHSZBAZHXAOI-OXQOHEQNSA-N 1 2 329.415 3.537 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001168499177 1121632152 /nfs/dbraw/zinc/63/21/52/1121632152.db2.gz XEYHSZBAZHXAOI-OXQOHEQNSA-N 1 2 329.415 3.537 20 0 EHADLO Cc1cc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)nc(C2CC2)[nH+]1 ZINC000763073095 1121673476 /nfs/dbraw/zinc/67/34/76/1121673476.db2.gz PTRDPYBUZCTBDZ-QGZVFWFLSA-N 1 2 327.403 3.504 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(Cl)s1 ZINC000025790041 1121810369 /nfs/dbraw/zinc/81/03/69/1121810369.db2.gz YCAGDXGQDLEKQS-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(Cl)s1 ZINC000025790041 1121810377 /nfs/dbraw/zinc/81/03/77/1121810377.db2.gz YCAGDXGQDLEKQS-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1cccnc1Cl ZINC000055908664 1121894716 /nfs/dbraw/zinc/89/47/16/1121894716.db2.gz CRYZNLBSCNAUFM-HNNXBMFYSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1cccnc1Cl ZINC000055908664 1121894721 /nfs/dbraw/zinc/89/47/21/1121894721.db2.gz CRYZNLBSCNAUFM-HNNXBMFYSA-N 1 2 347.821 3.520 20 0 EHADLO CCc1nnc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)s1 ZINC000672568998 1129019181 /nfs/dbraw/zinc/01/91/81/1129019181.db2.gz VNZHMDMBQSAKNU-CABCVRRESA-N 1 2 331.485 3.778 20 0 EHADLO CCc1nnc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)s1 ZINC000672568998 1129019185 /nfs/dbraw/zinc/01/91/85/1129019185.db2.gz VNZHMDMBQSAKNU-CABCVRRESA-N 1 2 331.485 3.778 20 0 EHADLO S=c1oc(CCc2ccccc2)nn1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763335054 1121967834 /nfs/dbraw/zinc/96/78/34/1121967834.db2.gz XUCKHVJRFGMQDO-MRXNPFEDSA-N 1 2 329.469 3.680 20 0 EHADLO S=c1oc(CCc2ccccc2)nn1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763335054 1121967837 /nfs/dbraw/zinc/96/78/37/1121967837.db2.gz XUCKHVJRFGMQDO-MRXNPFEDSA-N 1 2 329.469 3.680 20 0 EHADLO COC[C@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605529 1129025505 /nfs/dbraw/zinc/02/55/05/1129025505.db2.gz LWHMXGKOVWCGGH-MSOLQXFVSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605529 1129025508 /nfs/dbraw/zinc/02/55/08/1129025508.db2.gz LWHMXGKOVWCGGH-MSOLQXFVSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605529 1129025513 /nfs/dbraw/zinc/02/55/13/1129025513.db2.gz LWHMXGKOVWCGGH-MSOLQXFVSA-N 1 2 348.849 3.943 20 0 EHADLO Fc1ccccc1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023866 1122024646 /nfs/dbraw/zinc/02/46/46/1122024646.db2.gz VWSCZPTWIOGPCO-UHFFFAOYSA-N 1 2 344.459 3.698 20 0 EHADLO C[C@@H]1[C@H]([NH2+]Cc2cccc(O)c2Cl)CCN1Cc1ccccc1 ZINC000328200204 1122068794 /nfs/dbraw/zinc/06/87/94/1122068794.db2.gz FYYSCQACMRZJCJ-RHSMWYFYSA-N 1 2 330.859 3.798 20 0 EHADLO Cc1[nH]c(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[nH+]c1C ZINC000496404580 1122072894 /nfs/dbraw/zinc/07/28/94/1122072894.db2.gz FGOYVUZIUHYBIS-UHFFFAOYSA-N 1 2 342.443 3.889 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000916152278 1122082692 /nfs/dbraw/zinc/08/26/92/1122082692.db2.gz VLCLJEJXWSKNGD-MRXNPFEDSA-N 1 2 331.419 3.691 20 0 EHADLO O=C(/C=C\c1ccccc1F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000916608075 1122214080 /nfs/dbraw/zinc/21/40/80/1122214080.db2.gz PHWAKOAHMLWECF-HJWRWDBZSA-N 1 2 345.443 3.920 20 0 EHADLO CC(C)Cn1ncc(NC(=O)Nc2ccc3[nH+]ccn3c2)c1C1CC1 ZINC000672668464 1129040100 /nfs/dbraw/zinc/04/01/00/1129040100.db2.gz KZHJJRWWLBPZAV-UHFFFAOYSA-N 1 2 338.415 3.708 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000916669569 1122252454 /nfs/dbraw/zinc/25/24/54/1122252454.db2.gz FACJJKAIGRHLDN-GFCCVEGCSA-N 1 2 349.504 3.874 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3ccc4ccccc4c3)CCCC2)no1 ZINC000101550607 1122482494 /nfs/dbraw/zinc/48/24/94/1122482494.db2.gz FFMPETJSSWHBRJ-UHFFFAOYSA-N 1 2 337.423 3.969 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000128089286 1122528093 /nfs/dbraw/zinc/52/80/93/1122528093.db2.gz MWDJMCKUBHEXFB-OXJNMPFZSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000128089286 1122528095 /nfs/dbraw/zinc/52/80/95/1122528095.db2.gz MWDJMCKUBHEXFB-OXJNMPFZSA-N 1 2 337.467 3.610 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2nc(C3CCCCC3)no2)c1 ZINC000113712514 1129060800 /nfs/dbraw/zinc/06/08/00/1129060800.db2.gz HIJCISMCZMYFFS-UHFFFAOYSA-N 1 2 327.428 3.617 20 0 EHADLO CCCC[N@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)[C@@H](C)CC ZINC000917438616 1122602719 /nfs/dbraw/zinc/60/27/19/1122602719.db2.gz ZDDCMTMIJAGJEM-NSHDSACASA-N 1 2 340.826 3.867 20 0 EHADLO CCCC[N@@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)[C@@H](C)CC ZINC000917438616 1122602722 /nfs/dbraw/zinc/60/27/22/1122602722.db2.gz ZDDCMTMIJAGJEM-NSHDSACASA-N 1 2 340.826 3.867 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2c3cc(C)cc(C)c3C(=O)C2=O)c1 ZINC000917617663 1122649872 /nfs/dbraw/zinc/64/98/72/1122649872.db2.gz PGVACUAEISCUFD-GOSISDBHSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2c3cc(C)cc(C)c3C(=O)C2=O)c1 ZINC000917617663 1122649877 /nfs/dbraw/zinc/64/98/77/1122649877.db2.gz PGVACUAEISCUFD-GOSISDBHSA-N 1 2 348.446 3.936 20 0 EHADLO O=c1c2ccccc2sn1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000917617438 1122650156 /nfs/dbraw/zinc/65/01/56/1122650156.db2.gz FPJFVXHPZRVMIT-INIZCTEOSA-N 1 2 342.439 3.867 20 0 EHADLO O=c1c2ccccc2sn1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000917617438 1122650157 /nfs/dbraw/zinc/65/01/57/1122650157.db2.gz FPJFVXHPZRVMIT-INIZCTEOSA-N 1 2 342.439 3.867 20 0 EHADLO Cc1cc2ccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)cn2c1 ZINC000670414485 1122698499 /nfs/dbraw/zinc/69/84/99/1122698499.db2.gz GERTYJSLXIXQSP-UHFFFAOYSA-N 1 2 348.450 3.563 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3cc(C)cn3c2)c1C ZINC000670415569 1122701260 /nfs/dbraw/zinc/70/12/60/1122701260.db2.gz IZDFGXVGYNSJGY-UHFFFAOYSA-N 1 2 337.423 3.540 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cn3nc(C)n(C4CC4)c3=S)C2)cc1 ZINC000154557285 1122701935 /nfs/dbraw/zinc/70/19/35/1122701935.db2.gz HLNSOPWOALFGNL-HNNXBMFYSA-N 1 2 344.484 3.513 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cn3nc(C)n(C4CC4)c3=S)C2)cc1 ZINC000154557285 1122701940 /nfs/dbraw/zinc/70/19/40/1122701940.db2.gz HLNSOPWOALFGNL-HNNXBMFYSA-N 1 2 344.484 3.513 20 0 EHADLO S=C(NCCCCn1cc[nH+]c1)Nc1ccc(Cl)cc1Cl ZINC000918165193 1122770145 /nfs/dbraw/zinc/77/01/45/1122770145.db2.gz BUEGMZAEHIVODH-UHFFFAOYSA-N 1 2 343.283 3.957 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 ZINC000444909353 1122872317 /nfs/dbraw/zinc/87/23/17/1122872317.db2.gz HLPLKQBWRRFNAE-LBPRGKRZSA-N 1 2 347.488 3.586 20 0 EHADLO CCc1ncc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000930034343 1122873468 /nfs/dbraw/zinc/87/34/68/1122873468.db2.gz RGQKPPMGIXICDI-UHFFFAOYSA-N 1 2 333.407 3.615 20 0 EHADLO CCc1ncc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000930034343 1122873472 /nfs/dbraw/zinc/87/34/72/1122873472.db2.gz RGQKPPMGIXICDI-UHFFFAOYSA-N 1 2 333.407 3.615 20 0 EHADLO CCCc1ncc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)s1 ZINC000556359343 1122942059 /nfs/dbraw/zinc/94/20/59/1122942059.db2.gz VFWGWTFHFXZSEJ-UHFFFAOYSA-N 1 2 340.452 3.962 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(-c4ccccc4)ns3)[nH+]c12 ZINC000077998900 1129090765 /nfs/dbraw/zinc/09/07/65/1129090765.db2.gz AZLSUQPYQJMQFX-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[nH]1 ZINC000130737735 1122989427 /nfs/dbraw/zinc/98/94/27/1122989427.db2.gz AATZCUFRENLYPF-LLVKDONJSA-N 1 2 332.473 3.572 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[nH]1 ZINC000130737735 1122989429 /nfs/dbraw/zinc/98/94/29/1122989429.db2.gz AATZCUFRENLYPF-LLVKDONJSA-N 1 2 332.473 3.572 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000556497820 1123002806 /nfs/dbraw/zinc/00/28/06/1123002806.db2.gz NPAZCTLSWKURPP-GFCCVEGCSA-N 1 2 342.283 3.644 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000556497820 1123002808 /nfs/dbraw/zinc/00/28/08/1123002808.db2.gz NPAZCTLSWKURPP-GFCCVEGCSA-N 1 2 342.283 3.644 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCC=C(c4ccccc4)C3)n2)cc1 ZINC000556506179 1123004039 /nfs/dbraw/zinc/00/40/39/1123004039.db2.gz BIIWUUXJWWUWGX-UHFFFAOYSA-N 1 2 331.419 3.950 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCC=C(c4ccccc4)C3)n2)cc1 ZINC000556506179 1123004045 /nfs/dbraw/zinc/00/40/45/1123004045.db2.gz BIIWUUXJWWUWGX-UHFFFAOYSA-N 1 2 331.419 3.950 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nnc(C5CC5)o4)C3)nc2c1 ZINC000130830663 1123008151 /nfs/dbraw/zinc/00/81/51/1123008151.db2.gz QGMLSNHJILIDFE-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)nc2c1 ZINC000130830663 1123008157 /nfs/dbraw/zinc/00/81/57/1123008157.db2.gz QGMLSNHJILIDFE-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nnc(C5CC5)o4)C3)[nH]c2c1 ZINC000130830663 1123008161 /nfs/dbraw/zinc/00/81/61/1123008161.db2.gz QGMLSNHJILIDFE-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)[nH]c2c1 ZINC000130830663 1123008165 /nfs/dbraw/zinc/00/81/65/1123008165.db2.gz QGMLSNHJILIDFE-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000131121976 1123047707 /nfs/dbraw/zinc/04/77/07/1123047707.db2.gz WJLDJAPEDQXEND-FQEVSTJZSA-N 1 2 349.409 3.999 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000131276171 1123072013 /nfs/dbraw/zinc/07/20/13/1123072013.db2.gz CPFSKIHEKCBEPT-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000131276171 1123072019 /nfs/dbraw/zinc/07/20/19/1123072019.db2.gz CPFSKIHEKCBEPT-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO CC1(C2(NC(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2)CC1 ZINC000556756227 1123106885 /nfs/dbraw/zinc/10/68/85/1123106885.db2.gz OMCDQSZLAQUARG-UHFFFAOYSA-N 1 2 344.846 3.658 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc2ccccc2c1 ZINC000919674083 1123114567 /nfs/dbraw/zinc/11/45/67/1123114567.db2.gz GAXHHOZRUNIXPV-NRFANRHFSA-N 1 2 349.430 3.548 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc2ccccc2c1 ZINC000919674083 1123114568 /nfs/dbraw/zinc/11/45/68/1123114568.db2.gz GAXHHOZRUNIXPV-NRFANRHFSA-N 1 2 349.430 3.548 20 0 EHADLO CCCC1CCC(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000445265135 1123119579 /nfs/dbraw/zinc/11/95/79/1123119579.db2.gz QVXBQBDPGHEMRM-AQFXKWCLSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000072605641 1123127667 /nfs/dbraw/zinc/12/76/67/1123127667.db2.gz QSOYMDAFGNYOMN-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000072674349 1123140907 /nfs/dbraw/zinc/14/09/07/1123140907.db2.gz MXROSZBUXQGJLG-NRFANRHFSA-N 1 2 347.418 3.519 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000170786185 1123161120 /nfs/dbraw/zinc/16/11/20/1123161120.db2.gz XXXYEVYCWMEXIZ-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000170786185 1123161123 /nfs/dbraw/zinc/16/11/23/1123161123.db2.gz XXXYEVYCWMEXIZ-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000763443392 1123173150 /nfs/dbraw/zinc/17/31/50/1123173150.db2.gz WFLQUWJVDAHLLN-MOPGFXCFSA-N 1 2 343.467 3.902 20 0 EHADLO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000763443392 1123173154 /nfs/dbraw/zinc/17/31/54/1123173154.db2.gz WFLQUWJVDAHLLN-MOPGFXCFSA-N 1 2 343.467 3.902 20 0 EHADLO Cc1nc(COc2cccc(C(=O)Nc3cc[nH+]c(C)c3)c2)cs1 ZINC000073069526 1123186652 /nfs/dbraw/zinc/18/66/52/1123186652.db2.gz ZVXIYZKOJMLJHV-UHFFFAOYSA-N 1 2 339.420 3.986 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000132321500 1123218759 /nfs/dbraw/zinc/21/87/59/1123218759.db2.gz YGFVMKNOPFUZAP-APWZRJJASA-N 1 2 340.471 3.892 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1coc2ccccc12 ZINC000557027483 1123272054 /nfs/dbraw/zinc/27/20/54/1123272054.db2.gz PPPDNHWGUXASBD-UHFFFAOYSA-N 1 2 339.439 3.673 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000074691409 1123324152 /nfs/dbraw/zinc/32/41/52/1123324152.db2.gz WCWXEVPERLREHJ-QGZVFWFLSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3COc4ccccc4C3)c2)[nH+]c1C ZINC000920270431 1123348184 /nfs/dbraw/zinc/34/81/84/1123348184.db2.gz QYXUQWRQYDTLSZ-QGZVFWFLSA-N 1 2 347.418 3.883 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022465 1129118689 /nfs/dbraw/zinc/11/86/89/1129118689.db2.gz XGRCNHNMUAQXIC-MAUKXSAKSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CCC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022465 1129118691 /nfs/dbraw/zinc/11/86/91/1129118691.db2.gz XGRCNHNMUAQXIC-MAUKXSAKSA-N 1 2 342.405 3.792 20 0 EHADLO CCn1ccnc1[C@H]([NH2+]Cc1cc(C)cnc1Cl)C1CCOCC1 ZINC000922116983 1129120437 /nfs/dbraw/zinc/12/04/37/1129120437.db2.gz FEZNZOIJZFSHCN-MRXNPFEDSA-N 1 2 348.878 3.517 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000075833142 1123429026 /nfs/dbraw/zinc/42/90/26/1123429026.db2.gz JATJKXGGQMPKLY-IBGZPJMESA-N 1 2 331.410 3.629 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000075833142 1123429030 /nfs/dbraw/zinc/42/90/30/1123429030.db2.gz JATJKXGGQMPKLY-IBGZPJMESA-N 1 2 331.410 3.629 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC2CC2)C[C@@H](C)O1 ZINC000077274644 1123544030 /nfs/dbraw/zinc/54/40/30/1123544030.db2.gz UXONTZRIAZFHRL-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)Cc2c[nH+]cn2C)c1C ZINC000672970527 1129128836 /nfs/dbraw/zinc/12/88/36/1129128836.db2.gz PKODAFKYQLPMRW-UHFFFAOYSA-N 1 2 329.444 3.615 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135097548 1123582113 /nfs/dbraw/zinc/58/21/13/1123582113.db2.gz GVIPIDNZXNYJOB-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135097548 1123582118 /nfs/dbraw/zinc/58/21/18/1123582118.db2.gz GVIPIDNZXNYJOB-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cccc2)cc1 ZINC000064440624 1123618032 /nfs/dbraw/zinc/61/80/32/1123618032.db2.gz ZPFODUGZMWDLFA-GOSISDBHSA-N 1 2 336.439 3.519 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccc(Cl)cc1 ZINC000064440998 1123618760 /nfs/dbraw/zinc/61/87/60/1123618760.db2.gz NBFUJCUQQIZLTJ-INIZCTEOSA-N 1 2 349.862 3.537 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000801517549 1123738220 /nfs/dbraw/zinc/73/82/20/1123738220.db2.gz QIIWMIQSZCCZNG-UHFFFAOYSA-N 1 2 339.270 3.524 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000801517549 1123738223 /nfs/dbraw/zinc/73/82/23/1123738223.db2.gz QIIWMIQSZCCZNG-UHFFFAOYSA-N 1 2 339.270 3.524 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(-c3cccs3)no2)cc1O ZINC000080962535 1123769527 /nfs/dbraw/zinc/76/95/27/1123769527.db2.gz CCHHESZRJIQQSK-LLVKDONJSA-N 1 2 345.424 3.705 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(-c3cccs3)no2)cc1O ZINC000080962535 1123769532 /nfs/dbraw/zinc/76/95/32/1123769532.db2.gz CCHHESZRJIQQSK-LLVKDONJSA-N 1 2 345.424 3.705 20 0 EHADLO CC1(C)CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543040104 1129145252 /nfs/dbraw/zinc/14/52/52/1129145252.db2.gz FTCLGXGHXMBRNI-KRWDZBQOSA-N 1 2 332.492 3.664 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081458807 1123816417 /nfs/dbraw/zinc/81/64/17/1123816417.db2.gz JWJPBGJOPKMRKW-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245435010 1123825789 /nfs/dbraw/zinc/82/57/89/1123825789.db2.gz QEABEUFVRZERNX-SNUQEOBHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245435010 1123825792 /nfs/dbraw/zinc/82/57/92/1123825792.db2.gz QEABEUFVRZERNX-SNUQEOBHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245476239 1123845847 /nfs/dbraw/zinc/84/58/47/1123845847.db2.gz SRWJYNMAWOFRQF-KBPBESRZSA-N 1 2 330.428 3.805 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245476239 1123845850 /nfs/dbraw/zinc/84/58/50/1123845850.db2.gz SRWJYNMAWOFRQF-KBPBESRZSA-N 1 2 330.428 3.805 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245528537 1123865376 /nfs/dbraw/zinc/86/53/76/1123865376.db2.gz FBAGLLPJRYHIQF-YLJYHZDGSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245528537 1123865377 /nfs/dbraw/zinc/86/53/77/1123865377.db2.gz FBAGLLPJRYHIQF-YLJYHZDGSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000245545296 1123870600 /nfs/dbraw/zinc/87/06/00/1123870600.db2.gz TVZGQLXGRXHLAE-FOIQADDNSA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000245545296 1123870604 /nfs/dbraw/zinc/87/06/04/1123870604.db2.gz TVZGQLXGRXHLAE-FOIQADDNSA-N 1 2 343.446 3.727 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179985693 1123913636 /nfs/dbraw/zinc/91/36/36/1123913636.db2.gz CUFKAVSBEDDOHC-UHFFFAOYSA-N 1 2 325.790 3.829 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616327890 1123982915 /nfs/dbraw/zinc/98/29/15/1123982915.db2.gz DDEPGDMNZCCHJR-HOJAQTOUSA-N 1 2 337.467 3.630 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000068612258 1123990020 /nfs/dbraw/zinc/99/00/20/1123990020.db2.gz AQQKHBBEWTXTED-AWEZNQCLSA-N 1 2 343.477 3.828 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000068612258 1123990022 /nfs/dbraw/zinc/99/00/22/1123990022.db2.gz AQQKHBBEWTXTED-AWEZNQCLSA-N 1 2 343.477 3.828 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246137001 1124030199 /nfs/dbraw/zinc/03/01/99/1124030199.db2.gz RRVUHDKEYBMAAR-JKSUJKDBSA-N 1 2 341.858 3.664 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)N(C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246137001 1124030205 /nfs/dbraw/zinc/03/02/05/1124030205.db2.gz RRVUHDKEYBMAAR-JKSUJKDBSA-N 1 2 341.858 3.664 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2F)cc1 ZINC000068866626 1124038901 /nfs/dbraw/zinc/03/89/01/1124038901.db2.gz IUCHICVJNWUQOQ-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2F)cc1 ZINC000068866626 1124038906 /nfs/dbraw/zinc/03/89/06/1124038906.db2.gz IUCHICVJNWUQOQ-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO O=C(Nc1ccc(O)cc1Cl)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616941860 1124058883 /nfs/dbraw/zinc/05/88/83/1124058883.db2.gz HPOXHJYORBTGAI-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccc(O)cc1Cl)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616941860 1124058887 /nfs/dbraw/zinc/05/88/87/1124058887.db2.gz HPOXHJYORBTGAI-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246930304 1124568400 /nfs/dbraw/zinc/56/84/00/1124568400.db2.gz QKBJMUSHWJAAMH-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246930304 1124568404 /nfs/dbraw/zinc/56/84/04/1124568404.db2.gz QKBJMUSHWJAAMH-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)n2C)n1 ZINC000140262348 1124590338 /nfs/dbraw/zinc/59/03/38/1124590338.db2.gz NXLGFDAIQCDFCL-GOSISDBHSA-N 1 2 333.439 3.523 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)n2C)n1 ZINC000140262348 1124590345 /nfs/dbraw/zinc/59/03/45/1124590345.db2.gz NXLGFDAIQCDFCL-GOSISDBHSA-N 1 2 333.439 3.523 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)c(Br)c1 ZINC000248329375 1124649563 /nfs/dbraw/zinc/64/95/63/1124649563.db2.gz DDCDOSAEROBXOB-XQQFMLRXSA-N 1 2 339.277 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H]2C)c(Br)c1 ZINC000248329375 1124649565 /nfs/dbraw/zinc/64/95/65/1124649565.db2.gz DDCDOSAEROBXOB-XQQFMLRXSA-N 1 2 339.277 3.815 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000249179021 1124743150 /nfs/dbraw/zinc/74/31/50/1124743150.db2.gz GUQSLXWACMKRGN-UAPYVXQJSA-N 1 2 339.483 3.807 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(C2CCC2)CC1 ZINC000617770607 1124769794 /nfs/dbraw/zinc/76/97/94/1124769794.db2.gz OVUYULMYWYBNHN-UHFFFAOYSA-N 1 2 337.467 3.513 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070502 1131306509 /nfs/dbraw/zinc/30/65/09/1131306509.db2.gz PLWBCKPPOQMHIB-SFHVURJKSA-N 1 2 336.863 3.541 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070502 1131306513 /nfs/dbraw/zinc/30/65/13/1131306513.db2.gz PLWBCKPPOQMHIB-SFHVURJKSA-N 1 2 336.863 3.541 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000089358266 1124807842 /nfs/dbraw/zinc/80/78/42/1124807842.db2.gz FYJQMRLELHUTEA-QUCCMNQESA-N 1 2 337.467 3.933 20 0 EHADLO COc1cc(C[N@H+](Cc2ccn(-c3ccccc3)n2)C2CC2)ccc1O ZINC000089973469 1124878828 /nfs/dbraw/zinc/87/88/28/1124878828.db2.gz UBKRUORERAHURD-UHFFFAOYSA-N 1 2 349.434 3.751 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccn(-c3ccccc3)n2)C2CC2)ccc1O ZINC000089973469 1124878834 /nfs/dbraw/zinc/87/88/34/1124878834.db2.gz UBKRUORERAHURD-UHFFFAOYSA-N 1 2 349.434 3.751 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1F ZINC000181969574 1125097558 /nfs/dbraw/zinc/09/75/58/1125097558.db2.gz YDOMFYUFZBLJDI-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000093413896 1125244922 /nfs/dbraw/zinc/24/49/22/1125244922.db2.gz LMENNLXEMKETCD-LLVKDONJSA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000093413896 1125244925 /nfs/dbraw/zinc/24/49/25/1125244925.db2.gz LMENNLXEMKETCD-LLVKDONJSA-N 1 2 338.300 3.639 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)c[nH+]c12 ZINC000093606419 1125274544 /nfs/dbraw/zinc/27/45/44/1125274544.db2.gz ZJFPRJKGOJCUCP-KXBFYZLASA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)cnc12 ZINC000093606419 1125274551 /nfs/dbraw/zinc/27/45/51/1125274551.db2.gz ZJFPRJKGOJCUCP-KXBFYZLASA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)cnc12 ZINC000093606419 1125274557 /nfs/dbraw/zinc/27/45/57/1125274557.db2.gz ZJFPRJKGOJCUCP-KXBFYZLASA-N 1 2 339.414 3.744 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)/C=C\C3CCCCC3)c2)CC1 ZINC000735431435 1131345775 /nfs/dbraw/zinc/34/57/75/1131345775.db2.gz FAXSHWUILANSDR-KHPPLWFESA-N 1 2 341.499 3.509 20 0 EHADLO CN(C)c1cc(COC(=O)c2c(Cl)cc(F)cc2Cl)cc[nH+]1 ZINC000763540375 1125326034 /nfs/dbraw/zinc/32/60/34/1125326034.db2.gz YNZZLFUVOWAWFX-UHFFFAOYSA-N 1 2 343.185 3.951 20 0 EHADLO O=C(NCCCCc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000619392118 1125340505 /nfs/dbraw/zinc/34/05/05/1125340505.db2.gz BSRKBXBXDKAXEF-UHFFFAOYSA-N 1 2 348.450 3.694 20 0 EHADLO CCc1cc(N2CCC[C@@H]2c2ccc(Br)cn2)nc(C)[nH+]1 ZINC000413365272 1125363628 /nfs/dbraw/zinc/36/36/28/1125363628.db2.gz BZHQDKFDQNFPHC-OAHLLOKOSA-N 1 2 347.260 3.846 20 0 EHADLO Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)oc2c1c(C)ccc2C ZINC000153018123 1125419127 /nfs/dbraw/zinc/41/91/27/1125419127.db2.gz VNZLKHHGBSRHRL-INIZCTEOSA-N 1 2 349.434 3.762 20 0 EHADLO C[C@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000750865219 1125419401 /nfs/dbraw/zinc/41/94/01/1125419401.db2.gz QOYSMVOSOVXVID-CYBMUJFWSA-N 1 2 338.542 3.953 20 0 EHADLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC(F)CC1 ZINC000619955573 1125435493 /nfs/dbraw/zinc/43/54/93/1125435493.db2.gz LHQQCHTXCNZRLO-FAEJEUNOSA-N 1 2 343.446 3.507 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000078746019 1129191751 /nfs/dbraw/zinc/19/17/51/1129191751.db2.gz UMDLEDULKUSWRN-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO Cc1cccn2cc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)nc12 ZINC000066696051 1129200273 /nfs/dbraw/zinc/20/02/73/1129200273.db2.gz MHOTXODGFLDGKZ-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1cccn2cc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)nc12 ZINC000066696051 1129200276 /nfs/dbraw/zinc/20/02/76/1129200276.db2.gz MHOTXODGFLDGKZ-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(C)(CC)CC)[C@@H](C)C1 ZINC001128412559 1129202646 /nfs/dbraw/zinc/20/26/46/1129202646.db2.gz WRLDHQUCWQBQFX-KRWDZBQOSA-N 1 2 346.515 3.944 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(C)(CC)CC)[C@@H](C)C1 ZINC001128412559 1129202650 /nfs/dbraw/zinc/20/26/50/1129202650.db2.gz WRLDHQUCWQBQFX-KRWDZBQOSA-N 1 2 346.515 3.944 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682532333 1129220224 /nfs/dbraw/zinc/22/02/24/1129220224.db2.gz TZAOHTCDXSZWRX-FUHIMQAGSA-N 1 2 337.467 3.521 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C12CC(c3ccccc3)(C1)C2 ZINC000682857576 1129244822 /nfs/dbraw/zinc/24/48/22/1129244822.db2.gz OIWTVOMAUILQOV-UHFFFAOYSA-N 1 2 329.403 3.933 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000673323072 1129297561 /nfs/dbraw/zinc/29/75/61/1129297561.db2.gz DOGXLRUBAITKHH-AWEZNQCLSA-N 1 2 325.387 3.833 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)n1 ZINC000543206274 1129340547 /nfs/dbraw/zinc/34/05/47/1129340547.db2.gz QOMBBSUILXWQAL-OAHLLOKOSA-N 1 2 348.903 3.563 20 0 EHADLO OC[C@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc(Cl)c1Cl ZINC000922260662 1129408724 /nfs/dbraw/zinc/40/87/24/1129408724.db2.gz LHBZUASZZCYCHG-HNNXBMFYSA-N 1 2 340.254 3.738 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000117261045 1129427483 /nfs/dbraw/zinc/42/74/83/1129427483.db2.gz AXTOVQZWUKXWIX-ZWKOTPCHSA-N 1 2 331.504 3.893 20 0 EHADLO CCc1ccsc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470576 1129442501 /nfs/dbraw/zinc/44/25/01/1129442501.db2.gz XUNAGYARKSQENP-UHFFFAOYSA-N 1 2 349.525 3.545 20 0 EHADLO O=C(c1cccc(Cl)c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471058 1129444674 /nfs/dbraw/zinc/44/46/74/1129444674.db2.gz IQNRQUQUUDRJDU-UHFFFAOYSA-N 1 2 349.887 3.575 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348606 1129449839 /nfs/dbraw/zinc/44/98/39/1129449839.db2.gz CINVXGFXVNRAJN-GHMZBOCLSA-N 1 2 347.406 3.525 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348606 1129449841 /nfs/dbraw/zinc/44/98/41/1129449841.db2.gz CINVXGFXVNRAJN-GHMZBOCLSA-N 1 2 347.406 3.525 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922365863 1129503310 /nfs/dbraw/zinc/50/33/10/1129503310.db2.gz ISPOPTPSKVRLRI-AWEZNQCLSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000118421442 1129508289 /nfs/dbraw/zinc/50/82/89/1129508289.db2.gz FNBWYUMLHSGYMI-LIRRHRJNSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000118421442 1129508291 /nfs/dbraw/zinc/50/82/91/1129508291.db2.gz FNBWYUMLHSGYMI-LIRRHRJNSA-N 1 2 344.455 3.943 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3ccco3)o2)s1 ZINC000172985547 1129511544 /nfs/dbraw/zinc/51/15/44/1129511544.db2.gz OPDVBFIWLXSWNB-LLVKDONJSA-N 1 2 332.429 3.850 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(-c3ccco3)o2)s1 ZINC000172985547 1129511548 /nfs/dbraw/zinc/51/15/48/1129511548.db2.gz OPDVBFIWLXSWNB-LLVKDONJSA-N 1 2 332.429 3.850 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922449808 1129535828 /nfs/dbraw/zinc/53/58/28/1129535828.db2.gz MOBRYRPEFKMRCF-INIZCTEOSA-N 1 2 328.412 3.688 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000275654840 1129555862 /nfs/dbraw/zinc/55/58/62/1129555862.db2.gz CRCASRYLLCGYBV-OALUTQOASA-N 1 2 345.483 3.632 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922524240 1129562197 /nfs/dbraw/zinc/56/21/97/1129562197.db2.gz CETTZUSXBCEAGD-FXAWDEMLSA-N 1 2 337.398 3.947 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC ZINC000922578927 1129579898 /nfs/dbraw/zinc/57/98/98/1129579898.db2.gz FSJDJGMCPFAOSV-KUHUBIRLSA-N 1 2 341.455 3.903 20 0 EHADLO c1csc(-c2ncc(C[NH2+][C@H](c3ncccn3)C3CC3)s2)c1 ZINC000922580248 1129580392 /nfs/dbraw/zinc/58/03/92/1129580392.db2.gz OJJVIRAUSKWCOJ-AWEZNQCLSA-N 1 2 328.466 3.903 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OC ZINC000922582416 1129582183 /nfs/dbraw/zinc/58/21/83/1129582183.db2.gz MISZLHZZLROGRR-GOSISDBHSA-N 1 2 327.428 3.515 20 0 EHADLO CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc[nH+]c1N ZINC000922600613 1129589405 /nfs/dbraw/zinc/58/94/05/1129589405.db2.gz WTULWZLWWAFQKZ-UHFFFAOYSA-N 1 2 346.814 3.660 20 0 EHADLO CCN(C(=O)CCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000347730521 1129661935 /nfs/dbraw/zinc/66/19/35/1129661935.db2.gz JYQBYHFXWCDLFI-GOSISDBHSA-N 1 2 331.435 3.528 20 0 EHADLO COc1cc(C[NH2+][C@H]2CCCC2(F)F)ccc1OCC(F)(F)F ZINC000673618528 1129667741 /nfs/dbraw/zinc/66/77/41/1129667741.db2.gz NHNSCWDDYXENKH-ZDUSSCGKSA-N 1 2 339.304 3.914 20 0 EHADLO CCC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000429011199 1129692358 /nfs/dbraw/zinc/69/23/58/1129692358.db2.gz QSHKOLMZIHPZRL-MRXNPFEDSA-N 1 2 347.503 3.520 20 0 EHADLO CCCCc1noc([C@H](C)O[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000735918999 1131391481 /nfs/dbraw/zinc/39/14/81/1131391481.db2.gz GPKKNEGGFZOSPG-NSHDSACASA-N 1 2 336.823 3.868 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877687 1129700784 /nfs/dbraw/zinc/70/07/84/1129700784.db2.gz MLJXTHRFZWRITA-CYBMUJFWSA-N 1 2 336.208 3.545 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H]1C ZINC000347764012 1129702235 /nfs/dbraw/zinc/70/22/35/1129702235.db2.gz PKILVTKLEUGDCB-YCPHGPKFSA-N 1 2 344.434 3.635 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cc(C)c(C)o3)n2)cc1 ZINC000282406357 1129704958 /nfs/dbraw/zinc/70/49/58/1129704958.db2.gz YBJCWKBLGJPJFW-AWEZNQCLSA-N 1 2 325.412 3.942 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000338887343 1129706696 /nfs/dbraw/zinc/70/66/96/1129706696.db2.gz QBLDHPGCAGVXBK-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000429055524 1129726781 /nfs/dbraw/zinc/72/67/81/1129726781.db2.gz VPIALXATGPETGY-UHFFFAOYSA-N 1 2 342.443 3.918 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168740201 1129782052 /nfs/dbraw/zinc/78/20/52/1129782052.db2.gz RYEBYRKXWLJLPQ-LBPRGKRZSA-N 1 2 331.799 3.593 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168740201 1129782055 /nfs/dbraw/zinc/78/20/55/1129782055.db2.gz RYEBYRKXWLJLPQ-LBPRGKRZSA-N 1 2 331.799 3.593 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000131342884 1129785910 /nfs/dbraw/zinc/78/59/10/1129785910.db2.gz SBHDUHNMZZJLRA-HNNXBMFYSA-N 1 2 332.492 3.696 20 0 EHADLO C[C@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000625273399 1129796721 /nfs/dbraw/zinc/79/67/21/1129796721.db2.gz BYOHVIUJUREPTN-OLZOCXBDSA-N 1 2 344.377 3.607 20 0 EHADLO CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)c1cccc(O)c1 ZINC000673712096 1129807285 /nfs/dbraw/zinc/80/72/85/1129807285.db2.gz VCTBQRXARPVFJH-ZDUSSCGKSA-N 1 2 342.468 3.832 20 0 EHADLO CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)c1cccc(O)c1 ZINC000673712096 1129807291 /nfs/dbraw/zinc/80/72/91/1129807291.db2.gz VCTBQRXARPVFJH-ZDUSSCGKSA-N 1 2 342.468 3.832 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673725095 1129812410 /nfs/dbraw/zinc/81/24/10/1129812410.db2.gz KKMPWKPWIYONQC-GOSISDBHSA-N 1 2 335.451 3.570 20 0 EHADLO Cc1cnc([C@@H]([NH2+]Cc2ccncc2Br)C2CC2)s1 ZINC000625320542 1129826284 /nfs/dbraw/zinc/82/62/84/1129826284.db2.gz RXEHJCVOPSCBOV-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429122053 1129830561 /nfs/dbraw/zinc/83/05/61/1129830561.db2.gz IZQPUSFANGRDIG-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429122053 1129830564 /nfs/dbraw/zinc/83/05/64/1129830564.db2.gz IZQPUSFANGRDIG-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429122054 1129830734 /nfs/dbraw/zinc/83/07/34/1129830734.db2.gz IZQPUSFANGRDIG-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429122054 1129830738 /nfs/dbraw/zinc/83/07/38/1129830738.db2.gz IZQPUSFANGRDIG-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673781357 1129843137 /nfs/dbraw/zinc/84/31/37/1129843137.db2.gz UBMIFCGPGJGTBM-CRAIPNDOSA-N 1 2 342.487 3.795 20 0 EHADLO CCC[NH+](CCC)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000073957130 1129866607 /nfs/dbraw/zinc/86/66/07/1129866607.db2.gz FRKXWCJKOSEHGP-UHFFFAOYSA-N 1 2 331.489 3.890 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000673828206 1129871233 /nfs/dbraw/zinc/87/12/33/1129871233.db2.gz PLIRSMVURNTNNE-LSDHHAIUSA-N 1 2 333.863 3.967 20 0 EHADLO COC(=O)/C(=C\c1cccc2[nH+]ccn21)c1nc(C(C)(C)C)cs1 ZINC000766035223 1129873602 /nfs/dbraw/zinc/87/36/02/1129873602.db2.gz UPPOMIICKOJPNK-RAXLEYEMSA-N 1 2 341.436 3.802 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sc1C ZINC000282466350 1129906520 /nfs/dbraw/zinc/90/65/20/1129906520.db2.gz WMGQPDCFNXXRFZ-HNNXBMFYSA-N 1 2 343.496 3.918 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008511 1129956316 /nfs/dbraw/zinc/95/63/16/1129956316.db2.gz BXKARZGVFUSRFC-KUHUBIRLSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008511 1129956318 /nfs/dbraw/zinc/95/63/18/1129956318.db2.gz BXKARZGVFUSRFC-KUHUBIRLSA-N 1 2 344.405 3.931 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009452 1129956616 /nfs/dbraw/zinc/95/66/16/1129956616.db2.gz IJXGZPZUEKMWDF-LJQANCHMSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009452 1129956618 /nfs/dbraw/zinc/95/66/18/1129956618.db2.gz IJXGZPZUEKMWDF-LJQANCHMSA-N 1 2 326.415 3.540 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009690 1129956630 /nfs/dbraw/zinc/95/66/30/1129956630.db2.gz KNUWDKXDGPVDKZ-FQEVSTJZSA-N 1 2 340.442 3.794 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009690 1129956631 /nfs/dbraw/zinc/95/66/31/1129956631.db2.gz KNUWDKXDGPVDKZ-FQEVSTJZSA-N 1 2 340.442 3.794 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012147 1129959155 /nfs/dbraw/zinc/95/91/55/1129959155.db2.gz YMPQRMYDDAOEBN-QINHECLXSA-N 1 2 340.442 3.881 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012147 1129959156 /nfs/dbraw/zinc/95/91/56/1129959156.db2.gz YMPQRMYDDAOEBN-QINHECLXSA-N 1 2 340.442 3.881 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012808 1129961066 /nfs/dbraw/zinc/96/10/66/1129961066.db2.gz FGTARTKSVQADLG-IBGZPJMESA-N 1 2 326.415 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012808 1129961068 /nfs/dbraw/zinc/96/10/68/1129961068.db2.gz FGTARTKSVQADLG-IBGZPJMESA-N 1 2 326.415 3.621 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000625645040 1129966896 /nfs/dbraw/zinc/96/68/96/1129966896.db2.gz DQZJLAFKKBBGMC-FRRDWIJNSA-N 1 2 328.378 3.684 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000625645040 1129966900 /nfs/dbraw/zinc/96/69/00/1129966900.db2.gz DQZJLAFKKBBGMC-FRRDWIJNSA-N 1 2 328.378 3.684 20 0 EHADLO COC1CCC(CCNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000347887367 1129981790 /nfs/dbraw/zinc/98/17/90/1129981790.db2.gz VDHHPQBACNKWAO-GTPINHCMSA-N 1 2 332.492 3.720 20 0 EHADLO COC1CCC(CCNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000347887367 1129981794 /nfs/dbraw/zinc/98/17/94/1129981794.db2.gz VDHHPQBACNKWAO-GTPINHCMSA-N 1 2 332.492 3.720 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674048007 1129983344 /nfs/dbraw/zinc/98/33/44/1129983344.db2.gz WEWVKPZWCQPTGG-MGPUTAFESA-N 1 2 338.426 3.546 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674048007 1129983346 /nfs/dbraw/zinc/98/33/46/1129983346.db2.gz WEWVKPZWCQPTGG-MGPUTAFESA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccon1 ZINC000543574133 1129987076 /nfs/dbraw/zinc/98/70/76/1129987076.db2.gz NDTWMAATANDUDM-HNNXBMFYSA-N 1 2 333.476 3.819 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3cccc(C)c3C2)c1 ZINC000429220667 1129989889 /nfs/dbraw/zinc/98/98/89/1129989889.db2.gz GSQWCEPHFNMOPQ-UHFFFAOYSA-N 1 2 331.419 3.688 20 0 EHADLO CCOc1c(OC)cc(C[NH2+]C2(C(F)F)CCCC2)cc1OC ZINC000674144056 1130012528 /nfs/dbraw/zinc/01/25/28/1130012528.db2.gz RAOHONPTERJCTC-UHFFFAOYSA-N 1 2 329.387 3.770 20 0 EHADLO C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)s1 ZINC000674239426 1130035580 /nfs/dbraw/zinc/03/55/80/1130035580.db2.gz VZCURPVBJPNLBJ-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000528574928 1130038040 /nfs/dbraw/zinc/03/80/40/1130038040.db2.gz PSFJMLVKFTYHMN-ZDUSSCGKSA-N 1 2 333.407 3.937 20 0 EHADLO c1ccc(CC2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000243229750 1130048045 /nfs/dbraw/zinc/04/80/45/1130048045.db2.gz KMFHCWASSYUYQZ-UHFFFAOYSA-N 1 2 336.483 3.926 20 0 EHADLO c1ccc(CC2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000243229750 1130048051 /nfs/dbraw/zinc/04/80/51/1130048051.db2.gz KMFHCWASSYUYQZ-UHFFFAOYSA-N 1 2 336.483 3.926 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674316552 1130061155 /nfs/dbraw/zinc/06/11/55/1130061155.db2.gz KJBQPGRWSRTNEN-LLVKDONJSA-N 1 2 341.308 3.518 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000674346677 1130071334 /nfs/dbraw/zinc/07/13/34/1130071334.db2.gz LHSGBTWXOFYVDB-UHFFFAOYSA-N 1 2 345.362 3.514 20 0 EHADLO COc1ccc([C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000172042240 1130101268 /nfs/dbraw/zinc/10/12/68/1130101268.db2.gz URJDPANKUZINLB-HXUWFJFHSA-N 1 2 347.418 3.762 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000674749921 1130189981 /nfs/dbraw/zinc/18/99/81/1130189981.db2.gz CRKSBOVSXQULKE-PHIMTYICSA-N 1 2 342.283 3.653 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000674749921 1130189986 /nfs/dbraw/zinc/18/99/86/1130189986.db2.gz CRKSBOVSXQULKE-PHIMTYICSA-N 1 2 342.283 3.653 20 0 EHADLO c1cc(-c2nc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)cs2)co1 ZINC000675026788 1130243259 /nfs/dbraw/zinc/24/32/59/1130243259.db2.gz QKKVMUPWMTWLQW-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1ccc(-c2nccs2)n1 ZINC000766089935 1130255131 /nfs/dbraw/zinc/25/51/31/1130255131.db2.gz SEPBVTMQOIEEQY-UHFFFAOYSA-N 1 2 336.823 3.889 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1ccc(-c2nccs2)n1 ZINC000766089935 1130255138 /nfs/dbraw/zinc/25/51/38/1130255138.db2.gz SEPBVTMQOIEEQY-UHFFFAOYSA-N 1 2 336.823 3.889 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3nccs3)n2)n1 ZINC000766091896 1130259480 /nfs/dbraw/zinc/25/94/80/1130259480.db2.gz DDFHAFWGPHTXNR-INIZCTEOSA-N 1 2 325.441 3.505 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2ccc(-c3nccs3)n2)n1 ZINC000766091896 1130259487 /nfs/dbraw/zinc/25/94/87/1130259487.db2.gz DDFHAFWGPHTXNR-INIZCTEOSA-N 1 2 325.441 3.505 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174462970 1130360045 /nfs/dbraw/zinc/36/00/45/1130360045.db2.gz WVXPOSRREGIIAT-QVKFZJNVSA-N 1 2 333.435 3.900 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174462970 1130360049 /nfs/dbraw/zinc/36/00/49/1130360049.db2.gz WVXPOSRREGIIAT-QVKFZJNVSA-N 1 2 333.435 3.900 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675714420 1130457861 /nfs/dbraw/zinc/45/78/61/1130457861.db2.gz MRHOHSQSEQMGQF-HXUWFJFHSA-N 1 2 348.450 3.799 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000675930271 1130508752 /nfs/dbraw/zinc/50/87/52/1130508752.db2.gz QNKRHXCKJLNBDX-SJLPKXTDSA-N 1 2 348.450 3.590 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(C1CC1)C1CCCCC1 ZINC000675953614 1130512648 /nfs/dbraw/zinc/51/26/48/1130512648.db2.gz RTCABHMQPBDGEF-UHFFFAOYSA-N 1 2 342.487 3.689 20 0 EHADLO CCC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676135490 1130534477 /nfs/dbraw/zinc/53/44/77/1130534477.db2.gz FXTSGJIUAHVGHN-WBAXXEDZSA-N 1 2 326.444 3.600 20 0 EHADLO CCCCn1c(SC[C@@H]2CCCOC2)nnc1[C@H](CC)[NH+](C)C ZINC000676234993 1130551584 /nfs/dbraw/zinc/55/15/84/1130551584.db2.gz XSOSQGDZOOCXTH-CABCVRRESA-N 1 2 340.537 3.610 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+](CCc2ccccc2)C2CC2)c1=S ZINC000727823019 1130600428 /nfs/dbraw/zinc/60/04/28/1130600428.db2.gz QYDNIFXOBZAAAY-UHFFFAOYSA-N 1 2 330.501 3.834 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+](CCc2ccccc2)C2CC2)c1=S ZINC000727823019 1130600431 /nfs/dbraw/zinc/60/04/31/1130600431.db2.gz QYDNIFXOBZAAAY-UHFFFAOYSA-N 1 2 330.501 3.834 20 0 EHADLO C/C(=C\C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000727862569 1130603131 /nfs/dbraw/zinc/60/31/31/1130603131.db2.gz STSYFGMCITUVFI-WKOYGUFESA-N 1 2 329.419 3.657 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727940767 1130612503 /nfs/dbraw/zinc/61/25/03/1130612503.db2.gz OBKQHRGLMIOPBT-ZFWWWQNUSA-N 1 2 346.862 3.583 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1=S ZINC000729985749 1130662160 /nfs/dbraw/zinc/66/21/60/1130662160.db2.gz PYALIZYRNAZDSG-QGZVFWFLSA-N 1 2 330.501 3.655 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1=S ZINC000729985749 1130662166 /nfs/dbraw/zinc/66/21/66/1130662166.db2.gz PYALIZYRNAZDSG-QGZVFWFLSA-N 1 2 330.501 3.655 20 0 EHADLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 ZINC000729987836 1130663650 /nfs/dbraw/zinc/66/36/50/1130663650.db2.gz UPWKQWJNALGSGW-NSHDSACASA-N 1 2 349.793 3.547 20 0 EHADLO OC1(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCCCC1 ZINC000730081659 1130670937 /nfs/dbraw/zinc/67/09/37/1130670937.db2.gz VJZOTUUJRUUNJV-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO OC1(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCCCC1 ZINC000730081659 1130670939 /nfs/dbraw/zinc/67/09/39/1130670939.db2.gz VJZOTUUJRUUNJV-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCCc2ccccc21 ZINC000731003651 1130759892 /nfs/dbraw/zinc/75/98/92/1130759892.db2.gz LSHDANSEBDCEBA-MJGOQNOKSA-N 1 2 339.483 3.924 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)NCC1CCC1 ZINC000731213990 1130777507 /nfs/dbraw/zinc/77/75/07/1130777507.db2.gz MAWLEDUMEHKMNL-MRXNPFEDSA-N 1 2 340.389 3.759 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)NCC1CCC1 ZINC000731213990 1130777511 /nfs/dbraw/zinc/77/75/11/1130777511.db2.gz MAWLEDUMEHKMNL-MRXNPFEDSA-N 1 2 340.389 3.759 20 0 EHADLO CCCC[N@H+](CCOC)Cn1c(=O)sc2c1CC[C@H](CCC)C2 ZINC000731660934 1130823546 /nfs/dbraw/zinc/82/35/46/1130823546.db2.gz MVGBAFRWXVVSBY-HNNXBMFYSA-N 1 2 340.533 3.521 20 0 EHADLO CCCC[N@@H+](CCOC)Cn1c(=O)sc2c1CC[C@H](CCC)C2 ZINC000731660934 1130823550 /nfs/dbraw/zinc/82/35/50/1130823550.db2.gz MVGBAFRWXVVSBY-HNNXBMFYSA-N 1 2 340.533 3.521 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC000731671527 1130829473 /nfs/dbraw/zinc/82/94/73/1130829473.db2.gz FSFNUFZUNLNMAI-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC000731671527 1130829481 /nfs/dbraw/zinc/82/94/81/1130829481.db2.gz FSFNUFZUNLNMAI-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](c3ccco3)C2)nc(C2CC2)n1C1CC1 ZINC000732181000 1130893717 /nfs/dbraw/zinc/89/37/17/1130893717.db2.gz DWYMASPUWVTNNG-ZDUSSCGKSA-N 1 2 330.457 3.666 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](c3ccco3)C2)nc(C2CC2)n1C1CC1 ZINC000732181000 1130893720 /nfs/dbraw/zinc/89/37/20/1130893720.db2.gz DWYMASPUWVTNNG-ZDUSSCGKSA-N 1 2 330.457 3.666 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732410478 1130924849 /nfs/dbraw/zinc/92/48/49/1130924849.db2.gz BSHNKJJGOMSLMX-ATOXUGOLSA-N 1 2 344.499 3.626 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732410478 1130924852 /nfs/dbraw/zinc/92/48/52/1130924852.db2.gz BSHNKJJGOMSLMX-ATOXUGOLSA-N 1 2 344.499 3.626 20 0 EHADLO C[N@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410966 1130924874 /nfs/dbraw/zinc/92/48/74/1130924874.db2.gz OZPALZUASVMFGB-GWCFXTLKSA-N 1 2 347.673 3.571 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410966 1130924875 /nfs/dbraw/zinc/92/48/75/1130924875.db2.gz OZPALZUASVMFGB-GWCFXTLKSA-N 1 2 347.673 3.571 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732410481 1130925172 /nfs/dbraw/zinc/92/51/72/1130925172.db2.gz BSHNKJJGOMSLMX-NLJKLAEJSA-N 1 2 344.499 3.626 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732410481 1130925176 /nfs/dbraw/zinc/92/51/76/1130925176.db2.gz BSHNKJJGOMSLMX-NLJKLAEJSA-N 1 2 344.499 3.626 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)/C=C\C3CCOCC3)c2)[nH+]c1C ZINC000732657524 1130944445 /nfs/dbraw/zinc/94/44/45/1130944445.db2.gz RREPCZUQWDXJKJ-SREVYHEPSA-N 1 2 325.412 3.615 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C=CC3CCOCC3)c2)[nH+]c1C ZINC000732657524 1130944450 /nfs/dbraw/zinc/94/44/50/1130944450.db2.gz RREPCZUQWDXJKJ-SREVYHEPSA-N 1 2 325.412 3.615 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)n1 ZINC000732954772 1130972529 /nfs/dbraw/zinc/97/25/29/1130972529.db2.gz OZFITBJNNRMEMD-DZGCQCFKSA-N 1 2 339.505 3.519 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000732989148 1130979924 /nfs/dbraw/zinc/97/99/24/1130979924.db2.gz OWQHNSYEUQNMRG-SFHVURJKSA-N 1 2 330.378 3.765 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000732989148 1130979928 /nfs/dbraw/zinc/97/99/28/1130979928.db2.gz OWQHNSYEUQNMRG-SFHVURJKSA-N 1 2 330.378 3.765 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cnn1C ZINC000348010444 1131126483 /nfs/dbraw/zinc/12/64/83/1131126483.db2.gz RUCVJJRSCQTIIK-WDEREUQCSA-N 1 2 345.834 3.844 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cnn1C ZINC000348010438 1131126696 /nfs/dbraw/zinc/12/66/96/1131126696.db2.gz RUCVJJRSCQTIIK-GHMZBOCLSA-N 1 2 345.834 3.844 20 0 EHADLO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000626104249 1131155967 /nfs/dbraw/zinc/15/59/67/1131155967.db2.gz JIGBBJUZFUUIRA-VOJFVSQTSA-N 1 2 329.469 3.650 20 0 EHADLO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000626104249 1131155968 /nfs/dbraw/zinc/15/59/68/1131155968.db2.gz JIGBBJUZFUUIRA-VOJFVSQTSA-N 1 2 329.469 3.650 20 0 EHADLO CSCc1nn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(=S)o1 ZINC000733991460 1131179461 /nfs/dbraw/zinc/17/94/61/1131179461.db2.gz CVTXLEIWSLJGOA-OAHLLOKOSA-N 1 2 325.503 3.848 20 0 EHADLO CSCc1nn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(=S)o1 ZINC000733991460 1131179466 /nfs/dbraw/zinc/17/94/66/1131179466.db2.gz CVTXLEIWSLJGOA-OAHLLOKOSA-N 1 2 325.503 3.848 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052655 1131461082 /nfs/dbraw/zinc/46/10/82/1131461082.db2.gz DOOIUIFOXVFPOC-CZUORRHYSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052655 1131461084 /nfs/dbraw/zinc/46/10/84/1131461084.db2.gz DOOIUIFOXVFPOC-CZUORRHYSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059319 1131461803 /nfs/dbraw/zinc/46/18/03/1131461803.db2.gz XKPIHBVLMSMHKZ-KXBFYZLASA-N 1 2 343.446 3.908 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059319 1131461804 /nfs/dbraw/zinc/46/18/04/1131461804.db2.gz XKPIHBVLMSMHKZ-KXBFYZLASA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)C1 ZINC000738255648 1131464923 /nfs/dbraw/zinc/46/49/23/1131464923.db2.gz FRMXSWRYXSVBLF-SZVBFZGTSA-N 1 2 332.513 3.627 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)C1 ZINC000738255648 1131464926 /nfs/dbraw/zinc/46/49/26/1131464926.db2.gz FRMXSWRYXSVBLF-SZVBFZGTSA-N 1 2 332.513 3.627 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=S)o1 ZINC000740861183 1131549154 /nfs/dbraw/zinc/54/91/54/1131549154.db2.gz LTGHRDDVGSPXJK-CHWSQXEVSA-N 1 2 333.457 3.959 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=S)o1 ZINC000740861183 1131549159 /nfs/dbraw/zinc/54/91/59/1131549159.db2.gz LTGHRDDVGSPXJK-CHWSQXEVSA-N 1 2 333.457 3.959 20 0 EHADLO CC(C)c1cc(N[C@H]2CCCN(c3ncccn3)C2)nc(C(C)C)[nH+]1 ZINC000179507726 1131550322 /nfs/dbraw/zinc/55/03/22/1131550322.db2.gz WYZLGGINLXWACA-HNNXBMFYSA-N 1 2 340.475 3.594 20 0 EHADLO C[C@@H](C(=O)OCC(=O)c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000741029895 1131571777 /nfs/dbraw/zinc/57/17/77/1131571777.db2.gz CEUOHYYVOMYTCY-INIZCTEOSA-N 1 2 339.435 3.830 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)c1C ZINC000742152694 1131694065 /nfs/dbraw/zinc/69/40/65/1131694065.db2.gz MERRDEUIXKCZSO-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)c1C ZINC000742152694 1131694067 /nfs/dbraw/zinc/69/40/67/1131694067.db2.gz MERRDEUIXKCZSO-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1c2cc(Cl)ccc2oc1=O ZINC000742158496 1131695388 /nfs/dbraw/zinc/69/53/88/1131695388.db2.gz ILVMOAFQJISZMD-LBPRGKRZSA-N 1 2 328.799 3.652 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1Cn1c2cc(Cl)ccc2oc1=O ZINC000742158496 1131695391 /nfs/dbraw/zinc/69/53/91/1131695391.db2.gz ILVMOAFQJISZMD-LBPRGKRZSA-N 1 2 328.799 3.652 20 0 EHADLO CC(C)COCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172477990 1131737409 /nfs/dbraw/zinc/73/74/09/1131737409.db2.gz FVWZEFVZFAINFH-DLBZAZTESA-N 1 2 332.479 3.633 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2cccc[nH+]2)CC1 ZINC000742572244 1131752044 /nfs/dbraw/zinc/75/20/44/1131752044.db2.gz ZGBIRVWVNZMFDK-INIZCTEOSA-N 1 2 331.460 3.698 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cncc4cc(Cl)ccc43)cc2)C1 ZINC001212667097 1131765926 /nfs/dbraw/zinc/76/59/26/1131765926.db2.gz BBTWCQCMTOKNCJ-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4nc(Cl)sc4c3)cc2)C1 ZINC001212669429 1131773587 /nfs/dbraw/zinc/77/35/87/1131773587.db2.gz XDVJVYLVTCJCFW-UHFFFAOYSA-N 1 2 345.855 3.870 20 0 EHADLO Brc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172565454 1131774596 /nfs/dbraw/zinc/77/45/96/1131774596.db2.gz YSGUNWXNJREJSW-HUUCEWRRSA-N 1 2 346.272 3.798 20 0 EHADLO Brc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172565454 1131774602 /nfs/dbraw/zinc/77/46/02/1131774602.db2.gz YSGUNWXNJREJSW-HUUCEWRRSA-N 1 2 346.272 3.798 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([NH+]1CC3(CCN3Cc3ccccc3)C1)C2 ZINC001172722521 1131822876 /nfs/dbraw/zinc/82/28/76/1131822876.db2.gz WVRFACWXYFYPIZ-FQEVSTJZSA-N 1 2 338.882 3.768 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000743361651 1131902175 /nfs/dbraw/zinc/90/21/75/1131902175.db2.gz RUUOGTZOPXONRS-ZDUSSCGKSA-N 1 2 327.375 3.985 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000743361651 1131902183 /nfs/dbraw/zinc/90/21/83/1131902183.db2.gz RUUOGTZOPXONRS-ZDUSSCGKSA-N 1 2 327.375 3.985 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2ccn(Cc3ccccc3)c2=S)CCS1 ZINC000743398552 1131911822 /nfs/dbraw/zinc/91/18/22/1131911822.db2.gz YPUIJBLVLWPCNO-MRXNPFEDSA-N 1 2 333.526 3.852 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)CCS1 ZINC000743398552 1131911828 /nfs/dbraw/zinc/91/18/28/1131911828.db2.gz YPUIJBLVLWPCNO-MRXNPFEDSA-N 1 2 333.526 3.852 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398370 1131911863 /nfs/dbraw/zinc/91/18/63/1131911863.db2.gz GWCGMZRGWCYFNR-WDEREUQCSA-N 1 2 333.548 3.632 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398370 1131911868 /nfs/dbraw/zinc/91/18/68/1131911868.db2.gz GWCGMZRGWCYFNR-WDEREUQCSA-N 1 2 333.548 3.632 20 0 EHADLO CC(=O)Oc1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212700192 1131935671 /nfs/dbraw/zinc/93/56/71/1131935671.db2.gz YKLLOXQWUPNMLB-UHFFFAOYSA-N 1 2 325.343 3.739 20 0 EHADLO CCCC[C@@H](CC(C)C)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC ZINC001173250798 1132018659 /nfs/dbraw/zinc/01/86/59/1132018659.db2.gz VJGMZINAOXHHMT-HOTGVXAUSA-N 1 2 343.508 3.844 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000744123792 1132026005 /nfs/dbraw/zinc/02/60/05/1132026005.db2.gz RASKNYYZSPOILU-UHFFFAOYSA-N 1 2 332.451 3.638 20 0 EHADLO C[C@@H](O)[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)OC(C)(C)C ZINC001173338522 1132054220 /nfs/dbraw/zinc/05/42/20/1132054220.db2.gz ASOSVOLJHGELNC-PMPSAXMXSA-N 1 2 325.493 3.560 20 0 EHADLO COC(=O)[C@H](COC(C)(C)C)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173342590 1132055230 /nfs/dbraw/zinc/05/52/30/1132055230.db2.gz AHHPJDNIMSPXMF-HOTGVXAUSA-N 1 2 325.493 3.826 20 0 EHADLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173343609 1132055404 /nfs/dbraw/zinc/05/54/04/1132055404.db2.gz IYPFPGPOEVSJRC-QZTJIDSGSA-N 1 2 330.472 3.648 20 0 EHADLO CCC1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)(C(=O)OC)CC1 ZINC001173476910 1132075432 /nfs/dbraw/zinc/07/54/32/1132075432.db2.gz ZHJRPLNYCPDMMI-UHFFFAOYSA-N 1 2 337.410 3.534 20 0 EHADLO Fc1cc2c(cc1F)CC([N@@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001173482416 1132076708 /nfs/dbraw/zinc/07/67/08/1132076708.db2.gz FYXBGJAEGIRGPU-UHFFFAOYSA-N 1 2 337.373 3.634 20 0 EHADLO Fc1cc2c(cc1F)CC([N@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001173482416 1132076715 /nfs/dbraw/zinc/07/67/15/1132076715.db2.gz FYXBGJAEGIRGPU-UHFFFAOYSA-N 1 2 337.373 3.634 20 0 EHADLO COc1cc(C[N@H+](Cc2cc(C)no2)Cc2ccccc2)ccc1O ZINC001204118108 1132086272 /nfs/dbraw/zinc/08/62/72/1132086272.db2.gz LBSKVAKQTNIJSG-UHFFFAOYSA-N 1 2 338.407 3.900 20 0 EHADLO COc1cc(C[N@@H+](Cc2cc(C)no2)Cc2ccccc2)ccc1O ZINC001204118108 1132086280 /nfs/dbraw/zinc/08/62/80/1132086280.db2.gz LBSKVAKQTNIJSG-UHFFFAOYSA-N 1 2 338.407 3.900 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)cc1 ZINC000744423130 1132093964 /nfs/dbraw/zinc/09/39/64/1132093964.db2.gz YMYWGRCMIPYIHO-UHFFFAOYSA-N 1 2 346.478 3.823 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OC)c(F)c1 ZINC001173863715 1132157991 /nfs/dbraw/zinc/15/79/91/1132157991.db2.gz QBSDAIOPCGUJBE-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO CCc1ccc(-c2nc(COC(=O)[C@@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000745080260 1132195045 /nfs/dbraw/zinc/19/50/45/1132195045.db2.gz RHYWPKSUCBSHSZ-KRWDZBQOSA-N 1 2 344.480 3.900 20 0 EHADLO CCc1ccc(-c2nc(COC(=O)[C@@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000745080260 1132195049 /nfs/dbraw/zinc/19/50/49/1132195049.db2.gz RHYWPKSUCBSHSZ-KRWDZBQOSA-N 1 2 344.480 3.900 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745078467 1132195201 /nfs/dbraw/zinc/19/52/01/1132195201.db2.gz FNCSEVKSCCQUMV-AWEZNQCLSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745078467 1132195204 /nfs/dbraw/zinc/19/52/04/1132195204.db2.gz FNCSEVKSCCQUMV-AWEZNQCLSA-N 1 2 334.803 3.523 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001174055320 1132209287 /nfs/dbraw/zinc/20/92/87/1132209287.db2.gz IFFSHZGPEMHHNL-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1F ZINC001174020396 1132216914 /nfs/dbraw/zinc/21/69/14/1132216914.db2.gz LFIIWAUGUOBJKT-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO Nc1cc(Br)cc2cnn(-c3cc[nH+]c4ccccc43)c21 ZINC001174040162 1132222750 /nfs/dbraw/zinc/22/27/50/1132222750.db2.gz VLCVRGKKUOZHAH-UHFFFAOYSA-N 1 2 339.196 3.918 20 0 EHADLO Cc1ccc(F)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174111926 1132231329 /nfs/dbraw/zinc/23/13/29/1132231329.db2.gz OIGWJYOIKVMSRS-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CNC(=O)c1cccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001174138106 1132251490 /nfs/dbraw/zinc/25/14/90/1132251490.db2.gz MABQBHMSWKNWCV-UHFFFAOYSA-N 1 2 342.399 3.532 20 0 EHADLO COc1cc(Nc2cccc(C(=O)N3CCCCC3)c2)cc(C)[nH+]1 ZINC001174174157 1132267605 /nfs/dbraw/zinc/26/76/05/1132267605.db2.gz HEAWAZVREZTREQ-UHFFFAOYSA-N 1 2 325.412 3.768 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2cc(Cl)c3[nH+]ccn3c2)CC1 ZINC001174439888 1132357544 /nfs/dbraw/zinc/35/75/44/1132357544.db2.gz PJFNLOFNHHFXCT-UHFFFAOYSA-N 1 2 348.834 3.924 20 0 EHADLO Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1N1CCSCC1 ZINC001174413114 1132366814 /nfs/dbraw/zinc/36/68/14/1132366814.db2.gz KRLWGOSLAGVCKS-UHFFFAOYSA-N 1 2 328.416 3.950 20 0 EHADLO CCCCc1oc2ccccc2c1/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000746244460 1132396579 /nfs/dbraw/zinc/39/65/79/1132396579.db2.gz OKPRADGNUMWHQZ-MDZDMXLPSA-N 1 2 337.423 3.871 20 0 EHADLO c1ccc(N2CCOCC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522451 1132399425 /nfs/dbraw/zinc/39/94/25/1132399425.db2.gz LZSPXYWWCILHQM-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO COC(=O)c1ccc(C)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524054 1132401815 /nfs/dbraw/zinc/40/18/15/1132401815.db2.gz BKLAHHZFEUGSEV-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1ccc(C)cc1C)CC2 ZINC001174593206 1132410205 /nfs/dbraw/zinc/41/02/05/1132410205.db2.gz KXCIKATUMTWXFZ-UHFFFAOYSA-N 1 2 327.399 3.787 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1ccc(C)cc1C)CC2 ZINC001174593206 1132410209 /nfs/dbraw/zinc/41/02/09/1132410209.db2.gz KXCIKATUMTWXFZ-UHFFFAOYSA-N 1 2 327.399 3.787 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001174749681 1132465402 /nfs/dbraw/zinc/46/54/02/1132465402.db2.gz RYOULWYLCWRMPI-FUHWJXTLSA-N 1 2 345.483 3.743 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001174749681 1132465407 /nfs/dbraw/zinc/46/54/07/1132465407.db2.gz RYOULWYLCWRMPI-FUHWJXTLSA-N 1 2 345.483 3.743 20 0 EHADLO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193307361 1132479402 /nfs/dbraw/zinc/47/94/02/1132479402.db2.gz KFQBWLFWORAGOG-KRWDZBQOSA-N 1 2 339.464 3.812 20 0 EHADLO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193307361 1132479407 /nfs/dbraw/zinc/47/94/07/1132479407.db2.gz KFQBWLFWORAGOG-KRWDZBQOSA-N 1 2 339.464 3.812 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000193723851 1132482847 /nfs/dbraw/zinc/48/28/47/1132482847.db2.gz PNMSWRBNUDIVLX-VXGBXAGGSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000193723851 1132482852 /nfs/dbraw/zinc/48/28/52/1132482852.db2.gz PNMSWRBNUDIVLX-VXGBXAGGSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001174854938 1132487931 /nfs/dbraw/zinc/48/79/31/1132487931.db2.gz WKJBRERYLAIHOM-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001174854938 1132487933 /nfs/dbraw/zinc/48/79/33/1132487933.db2.gz WKJBRERYLAIHOM-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975295 1132509815 /nfs/dbraw/zinc/50/98/15/1132509815.db2.gz ZWZJUKNTHLUIQY-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174973755 1132509890 /nfs/dbraw/zinc/50/98/90/1132509890.db2.gz ZZOMVLLNYGOVGS-UHFFFAOYSA-N 1 2 339.226 3.672 20 0 EHADLO CC(C)(C)c1ccc(N)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976792 1132511020 /nfs/dbraw/zinc/51/10/20/1132511020.db2.gz CFPMWCCNIJKGIY-UHFFFAOYSA-N 1 2 326.444 3.542 20 0 EHADLO Fc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1C(F)(F)F ZINC001174978129 1132514621 /nfs/dbraw/zinc/51/46/21/1132514621.db2.gz QBCXHBMVJKTLBU-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CC(=O)c1cc(Cl)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978307 1132517305 /nfs/dbraw/zinc/51/73/05/1132517305.db2.gz VKALXODPRHXZNT-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CN1CC[NH+](Cc2ccccc2Nc2ccc(F)c(F)c2F)CC1 ZINC001174968207 1132521841 /nfs/dbraw/zinc/52/18/41/1132521841.db2.gz FRXKCBVVSGQNOD-UHFFFAOYSA-N 1 2 335.373 3.595 20 0 EHADLO COc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766403848 1132529887 /nfs/dbraw/zinc/52/98/87/1132529887.db2.gz NWGJQKGGPXWJHM-LBPRGKRZSA-N 1 2 325.416 3.763 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1Cc2ccccc2C(C)(C)C1 ZINC000766432547 1132543886 /nfs/dbraw/zinc/54/38/86/1132543886.db2.gz XODVYRUDDKBTLV-UHFFFAOYSA-N 1 2 335.455 3.879 20 0 EHADLO CC(C)Oc1cc(F)cc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001175140928 1132579877 /nfs/dbraw/zinc/57/98/77/1132579877.db2.gz WTHFOIFBCNQIGB-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CC(C)Oc1cc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC001168895145 1132590156 /nfs/dbraw/zinc/59/01/56/1132590156.db2.gz BXIAWECYCHUQJG-SFHVURJKSA-N 1 2 339.439 3.586 20 0 EHADLO Cc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)[nH+]c2cc[nH]c21 ZINC001168899117 1132592144 /nfs/dbraw/zinc/59/21/44/1132592144.db2.gz OYATZZADSWVSNA-MRXNPFEDSA-N 1 2 334.423 3.588 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(Cl)ccc1OC ZINC000766520080 1132594588 /nfs/dbraw/zinc/59/45/88/1132594588.db2.gz JRMXFBMXWWZGJY-UHFFFAOYSA-N 1 2 345.830 3.957 20 0 EHADLO COC(=O)C1([NH2+]CCCOc2cccc3ccccc32)CCCC1 ZINC001168939812 1132610456 /nfs/dbraw/zinc/61/04/56/1132610456.db2.gz CXKZIBHZRYZQBZ-UHFFFAOYSA-N 1 2 327.424 3.684 20 0 EHADLO CC(C)(C)c1cc(Cl)nnc1NCCc1cn2ccccc2[nH+]1 ZINC001169000798 1132628599 /nfs/dbraw/zinc/62/85/99/1132628599.db2.gz RUFWCJFATOBXAF-UHFFFAOYSA-N 1 2 329.835 3.730 20 0 EHADLO Fc1cccc(Oc2cc(NCCc3cn4ccccc4[nH+]3)ncn2)c1 ZINC001169002869 1132628915 /nfs/dbraw/zinc/62/89/15/1132628915.db2.gz RQVXXORSUMMVCC-UHFFFAOYSA-N 1 2 349.369 3.710 20 0 EHADLO Fc1ccccc1Cn1nccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346179 1132628951 /nfs/dbraw/zinc/62/89/51/1132628951.db2.gz MRMBBUMBEMNPNV-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO CC(C)(C)[C@H]1CCc2nnc(NCCc3cn4ccccc4[nH+]3)cc2C1 ZINC001169004506 1132630212 /nfs/dbraw/zinc/63/02/12/1132630212.db2.gz IIEBRPXPJYZGFW-INIZCTEOSA-N 1 2 349.482 3.930 20 0 EHADLO COCCCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352282 1132645744 /nfs/dbraw/zinc/64/57/44/1132645744.db2.gz MLDDRYPYRHYBLU-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3cnc4cccnc4c3)cn12 ZINC001175354987 1132648431 /nfs/dbraw/zinc/64/84/31/1132648431.db2.gz HLCOMHILRBGZII-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO CCCCSCCC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159716 1132681483 /nfs/dbraw/zinc/68/14/83/1132681483.db2.gz WFCONDCPEJDABL-UHFFFAOYSA-N 1 2 331.485 3.590 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169158238 1132681523 /nfs/dbraw/zinc/68/15/23/1132681523.db2.gz FDQMDFNNYNUWRT-PLNGDYQASA-N 1 2 349.409 3.909 20 0 EHADLO CSc1cc(NC2CCN(c3ncccc3Cl)CC2)nc(C)[nH+]1 ZINC001169162801 1132684611 /nfs/dbraw/zinc/68/46/11/1132684611.db2.gz BSYAFWUCWSONNQ-UHFFFAOYSA-N 1 2 349.891 3.636 20 0 EHADLO CC[C@H](C)C[N@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502991 1132691505 /nfs/dbraw/zinc/69/15/05/1132691505.db2.gz GYWMXOCEUQMDHB-CABZTGNLSA-N 1 2 334.279 3.703 20 0 EHADLO CC[C@H](C)C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502991 1132691512 /nfs/dbraw/zinc/69/15/12/1132691512.db2.gz GYWMXOCEUQMDHB-CABZTGNLSA-N 1 2 334.279 3.703 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccc2cc[nH]c2c1 ZINC001175622174 1132715704 /nfs/dbraw/zinc/71/57/04/1132715704.db2.gz OQGNQPFRUSIREO-UHFFFAOYSA-N 1 2 334.379 3.556 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccc2cc[nH]c2c1 ZINC001175622174 1132715708 /nfs/dbraw/zinc/71/57/08/1132715708.db2.gz OQGNQPFRUSIREO-UHFFFAOYSA-N 1 2 334.379 3.556 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1Cl ZINC001175712621 1132740395 /nfs/dbraw/zinc/74/03/95/1132740395.db2.gz PBNQQSBSSHQLRV-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO COC(=O)c1cccc(C)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712889 1132740799 /nfs/dbraw/zinc/74/07/99/1132740799.db2.gz LIXULBGMJYTGLN-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO COc1ccc2cccnc2c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713460 1132740831 /nfs/dbraw/zinc/74/08/31/1132740831.db2.gz IXZJKQURPBGLNE-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1CCCC[C@@H](C)C1 ZINC001169395533 1132746481 /nfs/dbraw/zinc/74/64/81/1132746481.db2.gz JFNJMAFUZLZTRL-IUODEOHRSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@H+]1CCCC[C@@H](C)C1 ZINC001169395533 1132746487 /nfs/dbraw/zinc/74/64/87/1132746487.db2.gz JFNJMAFUZLZTRL-IUODEOHRSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001175750296 1132753038 /nfs/dbraw/zinc/75/30/38/1132753038.db2.gz SYEGQQKWYUQSJI-WMLDXEAASA-N 1 2 343.389 3.715 20 0 EHADLO CC[N@@H+](c1ccc(Nc2nc(C)cc(C(=O)OC)n2)cc1)C(C)C ZINC000804321486 1132754378 /nfs/dbraw/zinc/75/43/78/1132754378.db2.gz WGGWRNPUCNYNFK-UHFFFAOYSA-N 1 2 328.416 3.550 20 0 EHADLO CC[N@H+](c1ccc(Nc2nc(C)cc(C(=O)OC)n2)cc1)C(C)C ZINC000804321486 1132754384 /nfs/dbraw/zinc/75/43/84/1132754384.db2.gz WGGWRNPUCNYNFK-UHFFFAOYSA-N 1 2 328.416 3.550 20 0 EHADLO COCCOc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001175784532 1132766390 /nfs/dbraw/zinc/76/63/90/1132766390.db2.gz MRGSXIRNOCJXNB-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC001175870342 1132788835 /nfs/dbraw/zinc/78/88/35/1132788835.db2.gz FKXUYQDTPJRSQN-QMTHXVAHSA-N 1 2 337.769 3.890 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC001175870342 1132788843 /nfs/dbraw/zinc/78/88/43/1132788843.db2.gz FKXUYQDTPJRSQN-QMTHXVAHSA-N 1 2 337.769 3.890 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744019 1132837122 /nfs/dbraw/zinc/83/71/22/1132837122.db2.gz GTZBEXGDXBGVOT-CTNGQTDRSA-N 1 2 338.426 3.753 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744019 1132837124 /nfs/dbraw/zinc/83/71/24/1132837124.db2.gz GTZBEXGDXBGVOT-CTNGQTDRSA-N 1 2 338.426 3.753 20 0 EHADLO Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCc3ncccc3O)c12 ZINC001169730753 1132841928 /nfs/dbraw/zinc/84/19/28/1132841928.db2.gz GKKKHRZGIUWLTP-UHFFFAOYSA-N 1 2 337.427 3.876 20 0 EHADLO COc1cc[nH+]c(Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)c1 ZINC001176132620 1132842494 /nfs/dbraw/zinc/84/24/94/1132842494.db2.gz FHJZIPHIBDICBV-UHFFFAOYSA-N 1 2 330.388 3.600 20 0 EHADLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)nn2)c1C ZINC001169754995 1132846439 /nfs/dbraw/zinc/84/64/39/1132846439.db2.gz ILQQHOINFYPWIJ-QZTJIDSGSA-N 1 2 349.438 3.611 20 0 EHADLO COc1cc[nH+]cc1Nc1c(Br)cc(F)cc1OC ZINC001176124979 1132854982 /nfs/dbraw/zinc/85/49/82/1132854982.db2.gz UGSLNSBWARGTTL-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO CN(C(=O)OC(C)(C)C)c1ccc(Nc2cccc3[nH+]ccn32)cn1 ZINC001176131320 1132855350 /nfs/dbraw/zinc/85/53/50/1132855350.db2.gz SLOQCSNZGMSTJE-UHFFFAOYSA-N 1 2 339.399 3.844 20 0 EHADLO Cn1c2ccccc2[nH+]c1Nc1cc(C(=O)N2CCCC2)ccc1F ZINC001176207767 1132874146 /nfs/dbraw/zinc/87/41/46/1132874146.db2.gz RKQSVEUFLCYRAO-UHFFFAOYSA-N 1 2 338.386 3.692 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3nccc4cccnc43)cc2)[nH+]c1C ZINC001176218912 1132877819 /nfs/dbraw/zinc/87/78/19/1132877819.db2.gz HKVZBXNEIFPSMN-UHFFFAOYSA-N 1 2 343.390 3.889 20 0 EHADLO CCOC(=O)c1cccc(CNc2cc3cc(F)ccc3c[nH+]2)n1 ZINC001169870407 1132885793 /nfs/dbraw/zinc/88/57/93/1132885793.db2.gz GOPQHTWOJUWTKV-UHFFFAOYSA-N 1 2 325.343 3.558 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001176314927 1132911801 /nfs/dbraw/zinc/91/18/01/1132911801.db2.gz FLPFWEBTJIRZLT-FQEVSTJZSA-N 1 2 347.422 3.965 20 0 EHADLO Oc1ccc2cc(Nc3ccc(N4CCC(O)CC4)[nH+]c3)ccc2c1 ZINC001176386448 1132916249 /nfs/dbraw/zinc/91/62/49/1132916249.db2.gz MHQUZUGZQLMSCN-UHFFFAOYSA-N 1 2 335.407 3.645 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)O1 ZINC001176452262 1132938214 /nfs/dbraw/zinc/93/82/14/1132938214.db2.gz IYFKQMSAKUWPFU-ZDUSSCGKSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)O1 ZINC001176452262 1132938220 /nfs/dbraw/zinc/93/82/20/1132938220.db2.gz IYFKQMSAKUWPFU-ZDUSSCGKSA-N 1 2 342.252 3.904 20 0 EHADLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(F)cc2Cl)cn1 ZINC001176534125 1132958189 /nfs/dbraw/zinc/95/81/89/1132958189.db2.gz VXZMMYVTLZPBBZ-INIZCTEOSA-N 1 2 339.867 3.893 20 0 EHADLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(F)cc2Cl)cn1 ZINC001176534125 1132958190 /nfs/dbraw/zinc/95/81/90/1132958190.db2.gz VXZMMYVTLZPBBZ-INIZCTEOSA-N 1 2 339.867 3.893 20 0 EHADLO Oc1ccc(-c2ncc(Nc3ccc[nH+]c3N3CCCC3)cn2)cc1 ZINC001176749312 1132991773 /nfs/dbraw/zinc/99/17/73/1132991773.db2.gz CQINJPPIICEONP-UHFFFAOYSA-N 1 2 333.395 3.588 20 0 EHADLO COc1ccc(-n2nccc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176749273 1132992212 /nfs/dbraw/zinc/99/22/12/1132992212.db2.gz BBAXCHWLWWKTJP-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO CC(C)(C)c1nc2ccc(Nc3ccc[nH+]c3N3CCCC3)cn2n1 ZINC001176748816 1132992221 /nfs/dbraw/zinc/99/22/21/1132992221.db2.gz CHEVRMLFMFLCTO-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO Cc1c(Br)cncc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750510 1132993157 /nfs/dbraw/zinc/99/31/57/1132993157.db2.gz VFCXDTWHXNHPBV-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CCOC(=O)N[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804353628 1132997745 /nfs/dbraw/zinc/99/77/45/1132997745.db2.gz MNRRDTQIHLHSFW-LBPRGKRZSA-N 1 2 333.819 3.603 20 0 EHADLO C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830711 1133003239 /nfs/dbraw/zinc/00/32/39/1133003239.db2.gz BXGQQUUOXNGSRP-IIBYNOLFSA-N 1 2 349.434 3.619 20 0 EHADLO CC(C)CCO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001176836854 1133004104 /nfs/dbraw/zinc/00/41/04/1133004104.db2.gz XQMBEWDSTAKYTF-QGZVFWFLSA-N 1 2 349.862 3.526 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)nc1 ZINC001176872013 1133005986 /nfs/dbraw/zinc/00/59/86/1133005986.db2.gz TYQMDAIFEUJXBJ-OAHLLOKOSA-N 1 2 348.349 3.749 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)nc1 ZINC001176872013 1133005991 /nfs/dbraw/zinc/00/59/91/1133005991.db2.gz TYQMDAIFEUJXBJ-OAHLLOKOSA-N 1 2 348.349 3.749 20 0 EHADLO CCCc1ccccc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177013726 1133022088 /nfs/dbraw/zinc/02/20/88/1133022088.db2.gz OXNLANZTHVLBNU-IBGZPJMESA-N 1 2 326.415 3.565 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cc3ccccc3o2)cc1OC ZINC000767827091 1133058794 /nfs/dbraw/zinc/05/87/94/1133058794.db2.gz CEFSAGJTYAIUMQ-UHFFFAOYSA-N 1 2 340.379 3.691 20 0 EHADLO CCCCC[C@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767939744 1133073517 /nfs/dbraw/zinc/07/35/17/1133073517.db2.gz PGMBLPHOVSPVHH-INIZCTEOSA-N 1 2 333.476 3.961 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccc(F)cc1F ZINC000768234194 1133116705 /nfs/dbraw/zinc/11/67/05/1133116705.db2.gz VVFXUVCZFABATQ-UHFFFAOYSA-N 1 2 337.366 3.588 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1ccc(F)cc1F ZINC000768234194 1133116709 /nfs/dbraw/zinc/11/67/09/1133116709.db2.gz VVFXUVCZFABATQ-UHFFFAOYSA-N 1 2 337.366 3.588 20 0 EHADLO Cc1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cnc1Cl ZINC000768251571 1133117222 /nfs/dbraw/zinc/11/72/22/1133117222.db2.gz PDNKSPQLTNFHTM-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO Cc1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cnc1Cl ZINC000768251571 1133117227 /nfs/dbraw/zinc/11/72/27/1133117227.db2.gz PDNKSPQLTNFHTM-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO CC(C)(F)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000768330707 1133125401 /nfs/dbraw/zinc/12/54/01/1133125401.db2.gz YKZGQMQNWNQASU-MRXNPFEDSA-N 1 2 346.471 3.712 20 0 EHADLO CC(C)(F)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000768330707 1133125408 /nfs/dbraw/zinc/12/54/08/1133125408.db2.gz YKZGQMQNWNQASU-MRXNPFEDSA-N 1 2 346.471 3.712 20 0 EHADLO CC(C)(Cc1cccnc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001178060956 1133128752 /nfs/dbraw/zinc/12/87/52/1133128752.db2.gz KINBQCGBZSQMLO-UHFFFAOYSA-N 1 2 334.423 3.534 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(Cl)cc1C)C[C@H]2O ZINC000768505162 1133147162 /nfs/dbraw/zinc/14/71/62/1133147162.db2.gz LDJCPCZXFLGOHR-MRXNPFEDSA-N 1 2 347.842 3.715 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(Cl)cc1C)C[C@H]2O ZINC000768505162 1133147163 /nfs/dbraw/zinc/14/71/63/1133147163.db2.gz LDJCPCZXFLGOHR-MRXNPFEDSA-N 1 2 347.842 3.715 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001204214242 1133152097 /nfs/dbraw/zinc/15/20/97/1133152097.db2.gz PVAIVPKPPZKVBY-ZDUSSCGKSA-N 1 2 340.414 3.654 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001204214242 1133152100 /nfs/dbraw/zinc/15/21/00/1133152100.db2.gz PVAIVPKPPZKVBY-ZDUSSCGKSA-N 1 2 340.414 3.654 20 0 EHADLO COc1cc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)ccc1SC ZINC001178469811 1133171601 /nfs/dbraw/zinc/17/16/01/1133171601.db2.gz XFOADTAHYAEDDI-CYBMUJFWSA-N 1 2 337.391 3.919 20 0 EHADLO CCc1[nH]c(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001178669087 1133188903 /nfs/dbraw/zinc/18/89/03/1133188903.db2.gz CNJFMXUDIKFLHD-CQSZACIVSA-N 1 2 339.361 3.801 20 0 EHADLO CCc1[nH]cc(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC001178669087 1133188906 /nfs/dbraw/zinc/18/89/06/1133188906.db2.gz CNJFMXUDIKFLHD-CQSZACIVSA-N 1 2 339.361 3.801 20 0 EHADLO CCc1[nH]c(CNC(=O)CC2c3ccccc3Oc3ccccc32)c[nH+]1 ZINC001178662732 1133189025 /nfs/dbraw/zinc/18/90/25/1133189025.db2.gz XSRQTGWISNRDEL-UHFFFAOYSA-N 1 2 347.418 3.916 20 0 EHADLO CCc1[nH]cc(CNC(=O)CC2c3ccccc3Oc3ccccc32)[nH+]1 ZINC001178662732 1133189027 /nfs/dbraw/zinc/18/90/27/1133189027.db2.gz XSRQTGWISNRDEL-UHFFFAOYSA-N 1 2 347.418 3.916 20 0 EHADLO CCCCOc1c(NC(=O)[C@@H]2CCCC[N@@H+]2C)ccc(F)c1F ZINC001178696999 1133192693 /nfs/dbraw/zinc/19/26/93/1133192693.db2.gz RLFFUTVGHDDZOT-AWEZNQCLSA-N 1 2 326.387 3.567 20 0 EHADLO CCCCOc1c(NC(=O)[C@@H]2CCCC[N@H+]2C)ccc(F)c1F ZINC001178696999 1133192695 /nfs/dbraw/zinc/19/26/95/1133192695.db2.gz RLFFUTVGHDDZOT-AWEZNQCLSA-N 1 2 326.387 3.567 20 0 EHADLO Fc1ccc2nc(C[NH2+]Cc3cc(F)cnc3Cl)sc2c1 ZINC001178827578 1133202586 /nfs/dbraw/zinc/20/25/86/1133202586.db2.gz RHHVADILLSFRJX-UHFFFAOYSA-N 1 2 325.771 3.913 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000768938349 1133206626 /nfs/dbraw/zinc/20/66/26/1133206626.db2.gz YJFRDSDSRZASMR-KRWDZBQOSA-N 1 2 344.459 3.908 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn3ccnc3s2)c2ccco2)cc1 ZINC001178966988 1133217580 /nfs/dbraw/zinc/21/75/80/1133217580.db2.gz VRBCFLIHVYXHME-KRWDZBQOSA-N 1 2 339.420 3.877 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCC4(CC4)C3)cn2c1 ZINC001178993938 1133219632 /nfs/dbraw/zinc/21/96/32/1133219632.db2.gz BTILMMSSGZMERU-HNNXBMFYSA-N 1 2 343.496 3.715 20 0 EHADLO OCc1cc[nH+]c(NCc2cnc(-c3c(F)cccc3F)s2)c1 ZINC001178991779 1133219717 /nfs/dbraw/zinc/21/97/17/1133219717.db2.gz HVHQNFPQQUVLCE-UHFFFAOYSA-N 1 2 333.363 3.588 20 0 EHADLO OC[C@@H]1CCC[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000769077017 1133226342 /nfs/dbraw/zinc/22/63/42/1133226342.db2.gz XUJJBIGRTBXMSS-NSHDSACASA-N 1 2 340.901 3.904 20 0 EHADLO OC[C@@H]1CCC[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000769077017 1133226347 /nfs/dbraw/zinc/22/63/47/1133226347.db2.gz XUJJBIGRTBXMSS-NSHDSACASA-N 1 2 340.901 3.904 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc3c(cccc3N(C)C)s2)[nH+]1 ZINC001179095542 1133228754 /nfs/dbraw/zinc/22/87/54/1133228754.db2.gz MSFHUEULSKBLLA-UHFFFAOYSA-N 1 2 342.468 3.744 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc3c(cccc3N(C)C)s2)c[nH+]1 ZINC001179095542 1133228758 /nfs/dbraw/zinc/22/87/58/1133228758.db2.gz MSFHUEULSKBLLA-UHFFFAOYSA-N 1 2 342.468 3.744 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769388274 1133275581 /nfs/dbraw/zinc/27/55/81/1133275581.db2.gz KGTACUJAERLXAP-RHSMWYFYSA-N 1 2 332.444 3.664 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2F)C1 ZINC001179845872 1133289873 /nfs/dbraw/zinc/28/98/73/1133289873.db2.gz YUDHIQXLWANILO-LBPRGKRZSA-N 1 2 346.240 3.598 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(Br)cc2F)C1 ZINC001179845872 1133289878 /nfs/dbraw/zinc/28/98/78/1133289878.db2.gz YUDHIQXLWANILO-LBPRGKRZSA-N 1 2 346.240 3.598 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000769565518 1133316001 /nfs/dbraw/zinc/31/60/01/1133316001.db2.gz PRTSQXRHQBKLBJ-KRWDZBQOSA-N 1 2 337.778 3.687 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000769565518 1133316006 /nfs/dbraw/zinc/31/60/06/1133316006.db2.gz PRTSQXRHQBKLBJ-KRWDZBQOSA-N 1 2 337.778 3.687 20 0 EHADLO C[N@H+](Cc1ccon1)Cc1ccnc2c(Br)cccc12 ZINC001180017438 1133317350 /nfs/dbraw/zinc/31/73/50/1133317350.db2.gz BNCJJGMXABICTK-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@@H+](Cc1ccon1)Cc1ccnc2c(Br)cccc12 ZINC001180017438 1133317352 /nfs/dbraw/zinc/31/73/52/1133317352.db2.gz BNCJJGMXABICTK-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO COc1ccc(Br)c(NCc2cccc3[nH+]ccn32)c1 ZINC000769690286 1133330131 /nfs/dbraw/zinc/33/01/31/1133330131.db2.gz PAGFWMHYDJFHSA-UHFFFAOYSA-N 1 2 332.201 3.718 20 0 EHADLO COc1nc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)ccc1C ZINC001180149346 1133338838 /nfs/dbraw/zinc/33/88/38/1133338838.db2.gz VQVUGOQGTFHOQP-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)ccc1C ZINC001180149346 1133338845 /nfs/dbraw/zinc/33/88/45/1133338845.db2.gz VQVUGOQGTFHOQP-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc3[nH+]ccn32)C2CC2)o1 ZINC000770399818 1133423429 /nfs/dbraw/zinc/42/34/29/1133423429.db2.gz CGRUUMXMFMNJIG-BBRMVZONSA-N 1 2 335.407 3.856 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2ccnc3c(Br)cccc23)CCO1 ZINC001180936156 1133431782 /nfs/dbraw/zinc/43/17/82/1133431782.db2.gz USRRSQAJYATGOS-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2ccnc3c(Br)cccc23)CCO1 ZINC001180936156 1133431785 /nfs/dbraw/zinc/43/17/85/1133431785.db2.gz USRRSQAJYATGOS-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO C[C@]1(Br)C[C@@H]1C[N@@H+]1Cc2cccc(Br)c2C1 ZINC001181066232 1133445417 /nfs/dbraw/zinc/44/54/17/1133445417.db2.gz SYGPLIOUWQNZLI-MFKMUULPSA-N 1 2 345.078 3.938 20 0 EHADLO C[C@]1(Br)C[C@@H]1C[N@H+]1Cc2cccc(Br)c2C1 ZINC001181066232 1133445429 /nfs/dbraw/zinc/44/54/29/1133445429.db2.gz SYGPLIOUWQNZLI-MFKMUULPSA-N 1 2 345.078 3.938 20 0 EHADLO CC[N@H+](Cc1n[nH]cc1Br)[C@@H](C)Cc1ccsc1 ZINC001181111464 1133452546 /nfs/dbraw/zinc/45/25/46/1133452546.db2.gz GGUKURLHHGIPKU-JTQLQIEISA-N 1 2 328.279 3.687 20 0 EHADLO CC[N@@H+](Cc1n[nH]cc1Br)[C@@H](C)Cc1ccsc1 ZINC001181111464 1133452549 /nfs/dbraw/zinc/45/25/49/1133452549.db2.gz GGUKURLHHGIPKU-JTQLQIEISA-N 1 2 328.279 3.687 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC[C@H](C)C4(CCC4)C3)c(=O)c2c(C)c1C ZINC000770670940 1133457573 /nfs/dbraw/zinc/45/75/73/1133457573.db2.gz NKAJIRHGUDMTCG-LBPRGKRZSA-N 1 2 345.512 3.853 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC[C@H](C)C4(CCC4)C3)c(=O)c2c(C)c1C ZINC000770670940 1133457577 /nfs/dbraw/zinc/45/75/77/1133457577.db2.gz NKAJIRHGUDMTCG-LBPRGKRZSA-N 1 2 345.512 3.853 20 0 EHADLO C[C@H](C1CCCCC1)[N@H+](C)Cc1ncc(Br)cc1O ZINC001181204036 1133467157 /nfs/dbraw/zinc/46/71/57/1133467157.db2.gz AMVBPLDCEAAJNW-LLVKDONJSA-N 1 2 327.266 3.950 20 0 EHADLO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ncc(Br)cc1O ZINC001181204036 1133467163 /nfs/dbraw/zinc/46/71/63/1133467163.db2.gz AMVBPLDCEAAJNW-LLVKDONJSA-N 1 2 327.266 3.950 20 0 EHADLO Cc1ccccc1Oc1ccccc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181263853 1133473882 /nfs/dbraw/zinc/47/38/82/1133473882.db2.gz RVMKMUIAHWVKIO-UHFFFAOYSA-N 1 2 333.391 3.946 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl ZINC001181301648 1133474088 /nfs/dbraw/zinc/47/40/88/1133474088.db2.gz YREDYHGUTRMIHJ-OCCSQVGLSA-N 1 2 329.271 3.758 20 0 EHADLO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181254425 1133476672 /nfs/dbraw/zinc/47/66/72/1133476672.db2.gz IKJYQIDYFXARIK-LJQANCHMSA-N 1 2 339.483 3.856 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1 ZINC001181381782 1133482045 /nfs/dbraw/zinc/48/20/45/1133482045.db2.gz BJBCUOAIDDBNGN-LJQANCHMSA-N 1 2 327.424 3.994 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1 ZINC001181381782 1133482048 /nfs/dbraw/zinc/48/20/48/1133482048.db2.gz BJBCUOAIDDBNGN-LJQANCHMSA-N 1 2 327.424 3.994 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000770929463 1133486085 /nfs/dbraw/zinc/48/60/85/1133486085.db2.gz PIHQLGSGSTZVNN-WIYYLYMNSA-N 1 2 332.403 3.672 20 0 EHADLO Fc1cccnc1C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC001181390975 1133487318 /nfs/dbraw/zinc/48/73/18/1133487318.db2.gz PSEYPPJXMMBCLS-UHFFFAOYSA-N 1 2 327.334 3.837 20 0 EHADLO Cc1cc(F)cc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001181646520 1133508696 /nfs/dbraw/zinc/50/86/96/1133508696.db2.gz LWSYVKQSUULFAI-UHFFFAOYSA-N 1 2 337.398 3.521 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC001181808844 1133530859 /nfs/dbraw/zinc/53/08/59/1133530859.db2.gz QOQJXANMJQEIQA-QWHCGFSZSA-N 1 2 330.419 3.553 20 0 EHADLO COC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(C)[nH+]c1C ZINC001203368287 1133536680 /nfs/dbraw/zinc/53/66/80/1133536680.db2.gz WXWYWHZMHLCQFM-UHFFFAOYSA-N 1 2 326.183 3.930 20 0 EHADLO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Br)cc1O ZINC001182115619 1133574044 /nfs/dbraw/zinc/57/40/44/1133574044.db2.gz NHLBNBZLRGELRP-RYUDHWBXSA-N 1 2 327.266 3.856 20 0 EHADLO CC[C@@H](C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1)c1ccccc1 ZINC001182130977 1133576999 /nfs/dbraw/zinc/57/69/99/1133576999.db2.gz BOKCOBQHTIHLJW-GOSISDBHSA-N 1 2 337.467 3.649 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2nc(Cl)ccc2Cl)c(C)[nH+]1 ZINC000773989626 1133585622 /nfs/dbraw/zinc/58/56/22/1133585622.db2.gz OUBZLUZLMSMYLN-FQEVSTJZSA-N 1 2 329.252 3.849 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1ccccc1F ZINC001182287601 1133617109 /nfs/dbraw/zinc/61/71/09/1133617109.db2.gz RKVSIIXUMRQXBK-MSOLQXFVSA-N 1 2 335.382 3.813 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1csc(-c2ccccc2Cl)n1 ZINC000771946724 1133618237 /nfs/dbraw/zinc/61/82/37/1133618237.db2.gz APMHZODMXJMICQ-UHFFFAOYSA-N 1 2 333.800 3.517 20 0 EHADLO COc1cccnc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001182388497 1133651723 /nfs/dbraw/zinc/65/17/23/1133651723.db2.gz UKPPJALVILRVRV-UHFFFAOYSA-N 1 2 339.370 3.706 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000772356963 1133674426 /nfs/dbraw/zinc/67/44/26/1133674426.db2.gz GJYUCJQLYTZVQD-INIZCTEOSA-N 1 2 340.471 3.983 20 0 EHADLO CCCCn1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000772343789 1133676386 /nfs/dbraw/zinc/67/63/86/1133676386.db2.gz WKFLPKDVBDWGCL-UHFFFAOYSA-N 1 2 338.411 3.534 20 0 EHADLO Cc1[nH+]c2ccc(Cl)cn2c1NS(=O)(=O)Cc1cccc(C)c1 ZINC000785551447 1133720246 /nfs/dbraw/zinc/72/02/46/1133720246.db2.gz WOOUEGMRLTZHSN-UHFFFAOYSA-N 1 2 349.843 3.546 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182713521 1133722541 /nfs/dbraw/zinc/72/25/41/1133722541.db2.gz RRVVPDPAAFPANC-ZDUSSCGKSA-N 1 2 330.391 3.559 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cscc2Cl)C1 ZINC001182865054 1133741065 /nfs/dbraw/zinc/74/10/65/1133741065.db2.gz RDAQLYNPHTWDNW-WCBMZHEXSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cscc2Cl)C1 ZINC001182865054 1133741067 /nfs/dbraw/zinc/74/10/67/1133741067.db2.gz RDAQLYNPHTWDNW-WCBMZHEXSA-N 1 2 341.782 3.575 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(O)ccc1Cl ZINC000785873287 1133760708 /nfs/dbraw/zinc/76/07/08/1133760708.db2.gz PMTRTADCGLKDCR-UHFFFAOYSA-N 1 2 328.755 3.588 20 0 EHADLO CCOc1cccc(F)c1C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001183169137 1133774873 /nfs/dbraw/zinc/77/48/73/1133774873.db2.gz BOWCMPSERDFENZ-ZDUSSCGKSA-N 1 2 340.439 3.569 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001183169137 1133774875 /nfs/dbraw/zinc/77/48/75/1133774875.db2.gz BOWCMPSERDFENZ-ZDUSSCGKSA-N 1 2 340.439 3.569 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H](CF)C2)c(F)cc1Br ZINC001183519867 1133813291 /nfs/dbraw/zinc/81/32/91/1133813291.db2.gz GVDNXPXNAHIFBO-JTQLQIEISA-N 1 2 334.204 3.778 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H](CF)C2)c(F)cc1Br ZINC001183519867 1133813296 /nfs/dbraw/zinc/81/32/96/1133813296.db2.gz GVDNXPXNAHIFBO-JTQLQIEISA-N 1 2 334.204 3.778 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC001183552066 1133822337 /nfs/dbraw/zinc/82/23/37/1133822337.db2.gz ZSKYUGNKHVYVBA-BEFAXECRSA-N 1 2 328.456 3.733 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183749592 1133852566 /nfs/dbraw/zinc/85/25/66/1133852566.db2.gz BTQJNVJGVUEAMK-SFHVURJKSA-N 1 2 331.419 3.756 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183749592 1133852572 /nfs/dbraw/zinc/85/25/72/1133852572.db2.gz BTQJNVJGVUEAMK-SFHVURJKSA-N 1 2 331.419 3.756 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754078 1133853810 /nfs/dbraw/zinc/85/38/10/1133853810.db2.gz YPZIKUXOFIYTIY-LJQANCHMSA-N 1 2 332.403 3.758 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754078 1133853816 /nfs/dbraw/zinc/85/38/16/1133853816.db2.gz YPZIKUXOFIYTIY-LJQANCHMSA-N 1 2 332.403 3.758 20 0 EHADLO CC(C)(CC1CCC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001183926191 1133879586 /nfs/dbraw/zinc/87/95/86/1133879586.db2.gz OAOATOJUKAQQFO-OAHLLOKOSA-N 1 2 328.447 3.535 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC000786668863 1133890516 /nfs/dbraw/zinc/89/05/16/1133890516.db2.gz BNLQKSXUBNHNFQ-UHFFFAOYSA-N 1 2 333.313 3.592 20 0 EHADLO CN(C)c1cc(CSCCOCC(F)(F)C(F)(F)F)cc[nH+]1 ZINC000786800042 1133907582 /nfs/dbraw/zinc/90/75/82/1133907582.db2.gz MZSCGAUTBMJXCG-UHFFFAOYSA-N 1 2 344.349 3.595 20 0 EHADLO Cc1cc2c(cc1C)[C@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000786961634 1133925961 /nfs/dbraw/zinc/92/59/61/1133925961.db2.gz PWNCEORRSXSXIK-LJQANCHMSA-N 1 2 348.402 3.709 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccnc(Cl)c3)n2)c1 ZINC000787011674 1133934476 /nfs/dbraw/zinc/93/44/76/1133934476.db2.gz KAYHPXWYEIINCC-VXGBXAGGSA-N 1 2 342.834 3.635 20 0 EHADLO CC(C)(C)n1c2ccccc2[nH+]c1N[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001184452820 1133943960 /nfs/dbraw/zinc/94/39/60/1133943960.db2.gz UEWVNVGBYWLYHK-UONOGXRCSA-N 1 2 347.434 3.837 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3cccc(Cl)c3C)n2c1 ZINC001184687164 1133981914 /nfs/dbraw/zinc/98/19/14/1133981914.db2.gz PWXJQBWICLMOKK-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1nc(F)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000787283312 1133983930 /nfs/dbraw/zinc/98/39/30/1133983930.db2.gz NJXHCIJWPSBYQK-IYBDPMFKSA-N 1 2 349.450 3.503 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000787283312 1133983933 /nfs/dbraw/zinc/98/39/33/1133983933.db2.gz NJXHCIJWPSBYQK-IYBDPMFKSA-N 1 2 349.450 3.503 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)nc3C)n2)cc1 ZINC000787286856 1133984502 /nfs/dbraw/zinc/98/45/02/1133984502.db2.gz ONLMEUMTXBMKMA-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)OC3CCCCC3)CC2)cc1 ZINC001184962913 1134008155 /nfs/dbraw/zinc/00/81/55/1134008155.db2.gz ANERRANHDXADTB-UHFFFAOYSA-N 1 2 346.471 3.672 20 0 EHADLO Nc1cc(COC(=O)c2c3ccccc3nc3c2CCCCC3)cc[nH+]1 ZINC000787561887 1134017420 /nfs/dbraw/zinc/01/74/20/1134017420.db2.gz DDKFWFIGGWQUBR-UHFFFAOYSA-N 1 2 347.418 3.838 20 0 EHADLO CCc1cc(NCC(C)(C)c2ccc3c(c2)OCCO3)nc(CC)[nH+]1 ZINC001185064795 1134021297 /nfs/dbraw/zinc/02/12/97/1134021297.db2.gz HSIGSSDIJVVYDK-UHFFFAOYSA-N 1 2 341.455 3.762 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1ccc(F)c(F)c1 ZINC001185122406 1134038928 /nfs/dbraw/zinc/03/89/28/1134038928.db2.gz NLTLHRJLYATWCL-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(-c2ccccc2Cl)o1 ZINC000788079543 1134078400 /nfs/dbraw/zinc/07/84/00/1134078400.db2.gz DKFHVDHLJYUIRK-LBPRGKRZSA-N 1 2 337.778 3.801 20 0 EHADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(-c2ccccc2Cl)o1 ZINC000788079543 1134078408 /nfs/dbraw/zinc/07/84/08/1134078408.db2.gz DKFHVDHLJYUIRK-LBPRGKRZSA-N 1 2 337.778 3.801 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cccc(F)c1 ZINC000788241947 1134098862 /nfs/dbraw/zinc/09/88/62/1134098862.db2.gz IYSMTBNCPASKGE-MRXNPFEDSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cccc(F)c1 ZINC000788241947 1134098869 /nfs/dbraw/zinc/09/88/69/1134098869.db2.gz IYSMTBNCPASKGE-MRXNPFEDSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccccc1F ZINC000788244110 1134099508 /nfs/dbraw/zinc/09/95/08/1134099508.db2.gz NQMOAZHIMNDUKS-AWEZNQCLSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccccc1F ZINC000788244110 1134099512 /nfs/dbraw/zinc/09/95/12/1134099512.db2.gz NQMOAZHIMNDUKS-AWEZNQCLSA-N 1 2 341.430 3.884 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245318 1134100854 /nfs/dbraw/zinc/10/08/54/1134100854.db2.gz FIAHGFHTBNCZRS-GDBMZVCRSA-N 1 2 347.503 3.636 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245318 1134100858 /nfs/dbraw/zinc/10/08/58/1134100858.db2.gz FIAHGFHTBNCZRS-GDBMZVCRSA-N 1 2 347.503 3.636 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000788475083 1134129217 /nfs/dbraw/zinc/12/92/17/1134129217.db2.gz PVRKFSZDIZPOOM-AWEZNQCLSA-N 1 2 347.846 3.599 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000788475083 1134129218 /nfs/dbraw/zinc/12/92/18/1134129218.db2.gz PVRKFSZDIZPOOM-AWEZNQCLSA-N 1 2 347.846 3.599 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC000788481249 1134130501 /nfs/dbraw/zinc/13/05/01/1134130501.db2.gz GKZQJNFSXCLDIJ-CYBMUJFWSA-N 1 2 339.505 3.537 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC000788481249 1134130503 /nfs/dbraw/zinc/13/05/03/1134130503.db2.gz GKZQJNFSXCLDIJ-CYBMUJFWSA-N 1 2 339.505 3.537 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(C(C)C)o2)cc(OC)c1OC ZINC000774956950 1134151595 /nfs/dbraw/zinc/15/15/95/1134151595.db2.gz BBLSKFCNRZFERK-GFCCVEGCSA-N 1 2 334.416 3.675 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001186270092 1134191128 /nfs/dbraw/zinc/19/11/28/1134191128.db2.gz STFDCJGOOOFEGZ-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)ccc1SC(F)F ZINC000788983882 1134200430 /nfs/dbraw/zinc/20/04/30/1134200430.db2.gz NZAAZCZVRJUGRM-NXEZZACHSA-N 1 2 342.415 3.550 20 0 EHADLO CSc1ccccc1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001186773854 1134256312 /nfs/dbraw/zinc/25/63/12/1134256312.db2.gz MLIJYDHTYKAZOD-UHFFFAOYSA-N 1 2 330.388 3.517 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170468 1134310851 /nfs/dbraw/zinc/31/08/51/1134310851.db2.gz OZAHCVYKTSUTBO-GFCCVEGCSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170468 1134310858 /nfs/dbraw/zinc/31/08/58/1134310858.db2.gz OZAHCVYKTSUTBO-GFCCVEGCSA-N 1 2 334.222 3.549 20 0 EHADLO CCc1ccc(OCC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001273536457 1134311232 /nfs/dbraw/zinc/31/12/32/1134311232.db2.gz NTUZGUNJSUOELV-UHFFFAOYSA-N 1 2 349.434 3.881 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170113970 1134312591 /nfs/dbraw/zinc/31/25/91/1134312591.db2.gz YMDDZIUJDLALJH-NVBFEUDRSA-N 1 2 330.255 3.856 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001157460609 1134312925 /nfs/dbraw/zinc/31/29/25/1134312925.db2.gz XSHXZSZLNOXENJ-UHFFFAOYSA-N 1 2 335.185 3.656 20 0 EHADLO COc1cc(OC)c(NC(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC001187356548 1134330912 /nfs/dbraw/zinc/33/09/12/1134330912.db2.gz BRBBPRZICALTFR-UHFFFAOYSA-N 1 2 346.774 3.649 20 0 EHADLO Cc1nc2c(cccc2-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)[nH]1 ZINC000789841089 1134338222 /nfs/dbraw/zinc/33/82/22/1134338222.db2.gz RGSQFPWEXKIYRP-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO COc1cc[nH+]cc1NCc1cnn(Cc2ccccc2)c1Cl ZINC000789875898 1134339967 /nfs/dbraw/zinc/33/99/67/1134339967.db2.gz BEKMTZDOZAJGFS-UHFFFAOYSA-N 1 2 328.803 3.601 20 0 EHADLO COc1cccc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1O ZINC000746880318 1134371323 /nfs/dbraw/zinc/37/13/23/1134371323.db2.gz XZQTWFIXQICIDU-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)[nH+]c1C ZINC000746884356 1134374349 /nfs/dbraw/zinc/37/43/49/1134374349.db2.gz PAVWARRNBZHWJY-UHFFFAOYSA-N 1 2 347.378 3.929 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001187905680 1134395548 /nfs/dbraw/zinc/39/55/48/1134395548.db2.gz VCXPBDGNWUYZDA-UHFFFAOYSA-N 1 2 330.775 3.949 20 0 EHADLO Cc1cccc([C@H]2CC(=O)N(C[N@@H+]3CCc4cc(C)ccc4C3)C2)c1 ZINC000790445600 1134419032 /nfs/dbraw/zinc/41/90/32/1134419032.db2.gz BLLBZQMHHJESRV-NRFANRHFSA-N 1 2 334.463 3.635 20 0 EHADLO Cc1cccc([C@H]2CC(=O)N(C[N@H+]3CCc4cc(C)ccc4C3)C2)c1 ZINC000790445600 1134419036 /nfs/dbraw/zinc/41/90/36/1134419036.db2.gz BLLBZQMHHJESRV-NRFANRHFSA-N 1 2 334.463 3.635 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCSCC[C@H]2C)C1 ZINC000790480446 1134423053 /nfs/dbraw/zinc/42/30/53/1134423053.db2.gz LFKNSORZNBPORV-KGLIPLIRSA-N 1 2 340.558 3.600 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCSCC[C@H]2C)C1 ZINC000790480446 1134423057 /nfs/dbraw/zinc/42/30/57/1134423057.db2.gz LFKNSORZNBPORV-KGLIPLIRSA-N 1 2 340.558 3.600 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2CCC2)cc1 ZINC000790489941 1134425210 /nfs/dbraw/zinc/42/52/10/1134425210.db2.gz YTXMFGDREXHCLM-SFHVURJKSA-N 1 2 325.456 3.995 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]c3ccc(C)cn23)cc1Cl ZINC001188482209 1134467649 /nfs/dbraw/zinc/46/76/49/1134467649.db2.gz UDJNHHIIGHLCDO-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cn1 ZINC000790931136 1134479802 /nfs/dbraw/zinc/47/98/02/1134479802.db2.gz KNKYSTGRNXDELR-OAHLLOKOSA-N 1 2 349.475 3.676 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cn1 ZINC000790931136 1134479807 /nfs/dbraw/zinc/47/98/07/1134479807.db2.gz KNKYSTGRNXDELR-OAHLLOKOSA-N 1 2 349.475 3.676 20 0 EHADLO CC(C)N(C(=O)c1cccc2[nH+]ccn21)c1cnc2ccccc2c1 ZINC000791028784 1134499466 /nfs/dbraw/zinc/49/94/66/1134499466.db2.gz PALRFLYHXQPGDG-UHFFFAOYSA-N 1 2 330.391 3.938 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1cc(Cl)ccc1Cl ZINC001189015621 1134532877 /nfs/dbraw/zinc/53/28/77/1134532877.db2.gz PNCXZAVHPNWMLZ-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO CCCCOc1ccc(NC(=O)N(CC)CCn2cc[nH+]c2)cc1 ZINC001189314797 1134570199 /nfs/dbraw/zinc/57/01/99/1134570199.db2.gz WUJSOJOKPRAVTE-UHFFFAOYSA-N 1 2 330.432 3.616 20 0 EHADLO C[C@H](C(=O)N(Cc1cccs1)Cc1cccs1)n1cc[nH+]c1 ZINC000076924986 1134611389 /nfs/dbraw/zinc/61/13/89/1134611389.db2.gz WRHYJXRLYDKAPK-CYBMUJFWSA-N 1 2 331.466 3.796 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000791856146 1134612626 /nfs/dbraw/zinc/61/26/26/1134612626.db2.gz JEQSIZRMURMING-QIAWRQBBSA-N 1 2 326.396 3.598 20 0 EHADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1c(Cl)cccc1Cl ZINC000791827563 1134615739 /nfs/dbraw/zinc/61/57/39/1134615739.db2.gz UUNRLXUAQQQEJR-VIFPVBQESA-N 1 2 325.195 3.818 20 0 EHADLO C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076989120 1134619146 /nfs/dbraw/zinc/61/91/46/1134619146.db2.gz LSSLJYZQAQLFGI-OAHLLOKOSA-N 1 2 349.409 3.920 20 0 EHADLO COc1cnc2c(cccc2NC(=O)c2ccccc2-n2cc[nH+]c2)c1 ZINC001190098963 1134654869 /nfs/dbraw/zinc/65/48/69/1134654869.db2.gz CIMAWNCCLSLXNX-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO COc1ccc2ccc(NC(=O)c3ccccc3-n3cc[nH+]c3)cc2n1 ZINC001190100112 1134655946 /nfs/dbraw/zinc/65/59/46/1134655946.db2.gz PGBAKKLAOMXTKX-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000792163373 1134660716 /nfs/dbraw/zinc/66/07/16/1134660716.db2.gz XYBYGUYUKVRAHK-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000792163373 1134660718 /nfs/dbraw/zinc/66/07/18/1134660718.db2.gz XYBYGUYUKVRAHK-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000792180046 1134664425 /nfs/dbraw/zinc/66/44/25/1134664425.db2.gz KRNWFIOLXNYUEO-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000792180046 1134664426 /nfs/dbraw/zinc/66/44/26/1134664426.db2.gz KRNWFIOLXNYUEO-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO Nc1cc(COC(=O)c2cc3ccccc3n2CC(F)(F)F)cc[nH+]1 ZINC000792259751 1134674455 /nfs/dbraw/zinc/67/44/55/1134674455.db2.gz CSDNJXPUEFBCPV-UHFFFAOYSA-N 1 2 349.312 3.538 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC001190492667 1134714112 /nfs/dbraw/zinc/71/41/12/1134714112.db2.gz CUCRLNSLWZVAPW-HNNXBMFYSA-N 1 2 329.444 3.705 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC001190492667 1134714118 /nfs/dbraw/zinc/71/41/18/1134714118.db2.gz CUCRLNSLWZVAPW-HNNXBMFYSA-N 1 2 329.444 3.705 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1csc(-c2cccs2)n1 ZINC001190578905 1134714971 /nfs/dbraw/zinc/71/49/71/1134714971.db2.gz LUHWXXBLHPBPSU-UHFFFAOYSA-N 1 2 344.465 3.723 20 0 EHADLO CCOc1c(F)cc(C(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC001190731391 1134744527 /nfs/dbraw/zinc/74/45/27/1134744527.db2.gz UCLGNGTYEODLNS-UHFFFAOYSA-N 1 2 333.750 3.778 20 0 EHADLO Cc1ccc(F)cc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC001190732215 1134744647 /nfs/dbraw/zinc/74/46/47/1134744647.db2.gz XZBGKKTXXXKYJF-UHFFFAOYSA-N 1 2 332.463 3.749 20 0 EHADLO COc1c(C)cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001191065901 1134785631 /nfs/dbraw/zinc/78/56/31/1134785631.db2.gz JDYWQMJHCRHZEH-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO O=C([C@H](F)CC1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000792839799 1134805313 /nfs/dbraw/zinc/80/53/13/1134805313.db2.gz OTAMMVNQWSSAQT-QGZVFWFLSA-N 1 2 338.492 3.701 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001191138787 1134809508 /nfs/dbraw/zinc/80/95/08/1134809508.db2.gz OQLINIIBOMBRKS-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001191138787 1134809515 /nfs/dbraw/zinc/80/95/15/1134809515.db2.gz OQLINIIBOMBRKS-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205017 1134816398 /nfs/dbraw/zinc/81/63/98/1134816398.db2.gz XRDYZEXDJMGTNY-DGCLKSJQSA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205017 1134816392 /nfs/dbraw/zinc/81/63/92/1134816392.db2.gz XRDYZEXDJMGTNY-DGCLKSJQSA-N 1 2 333.295 3.541 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792904801 1134819269 /nfs/dbraw/zinc/81/92/69/1134819269.db2.gz LPKYWPRVRPJARX-DZGCQCFKSA-N 1 2 346.229 3.628 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792904801 1134819274 /nfs/dbraw/zinc/81/92/74/1134819274.db2.gz LPKYWPRVRPJARX-DZGCQCFKSA-N 1 2 346.229 3.628 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792909953 1134820217 /nfs/dbraw/zinc/82/02/17/1134820217.db2.gz UOXYBKQTEPYGCJ-ZBFHGGJFSA-N 1 2 341.282 3.703 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792909953 1134820228 /nfs/dbraw/zinc/82/02/28/1134820228.db2.gz UOXYBKQTEPYGCJ-ZBFHGGJFSA-N 1 2 341.282 3.703 20 0 EHADLO CO[C@@H](C[NH2+]C1(C(=O)OC(C)(C)C)CCCC1)C1CCCCC1 ZINC001191764687 1134910963 /nfs/dbraw/zinc/91/09/63/1134910963.db2.gz VHNAIMBTUCWAKN-INIZCTEOSA-N 1 2 325.493 3.826 20 0 EHADLO O=C(OCc1ccc(C(F)(F)F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793406055 1134926942 /nfs/dbraw/zinc/92/69/42/1134926942.db2.gz YJQGKQCRCYLESE-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(OC2CCCCC2)nc1 ZINC001192090331 1134961159 /nfs/dbraw/zinc/96/11/59/1134961159.db2.gz UATJDQVZPNDPRI-UHFFFAOYSA-N 1 2 336.395 3.693 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cn2nc(C)n(-c3ccccc3)c2=S)C1 ZINC000793798638 1134991361 /nfs/dbraw/zinc/99/13/61/1134991361.db2.gz XHRWPBNMLQTONT-HNNXBMFYSA-N 1 2 348.541 3.744 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccccc3)c2=S)C1 ZINC000793798638 1134991366 /nfs/dbraw/zinc/99/13/66/1134991366.db2.gz XHRWPBNMLQTONT-HNNXBMFYSA-N 1 2 348.541 3.744 20 0 EHADLO CC(C)c1ccccc1NC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001192283098 1134993960 /nfs/dbraw/zinc/99/39/60/1134993960.db2.gz YWZBNHNCRHCBEI-UHFFFAOYSA-N 1 2 342.443 3.680 20 0 EHADLO CCc1ccc(N(CC(C)C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000794125094 1135021028 /nfs/dbraw/zinc/02/10/28/1135021028.db2.gz BSMJYULZYAHDFM-QGZVFWFLSA-N 1 2 325.456 3.697 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc2c(c1)CCC2 ZINC001192814318 1135058213 /nfs/dbraw/zinc/05/82/13/1135058213.db2.gz JCUGNIYSLZJSQZ-SNVBAGLBSA-N 1 2 325.334 3.514 20 0 EHADLO Cc1ccc(C2=CC[N@H+](Cc3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000775561966 1135092196 /nfs/dbraw/zinc/09/21/96/1135092196.db2.gz IWERMMDHDRHPOR-UHFFFAOYSA-N 1 2 344.462 3.924 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](Cc3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000775561966 1135092202 /nfs/dbraw/zinc/09/22/02/1135092202.db2.gz IWERMMDHDRHPOR-UHFFFAOYSA-N 1 2 344.462 3.924 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000775570183 1135096496 /nfs/dbraw/zinc/09/64/96/1135096496.db2.gz KZTXRYCKCRGAEH-UHFFFAOYSA-N 1 2 333.435 3.886 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000775570183 1135096501 /nfs/dbraw/zinc/09/65/01/1135096501.db2.gz KZTXRYCKCRGAEH-UHFFFAOYSA-N 1 2 333.435 3.886 20 0 EHADLO CC(C)[C@H]([NH2+]C[C@@H]1CC2(CO1)CCCCC2)C(=O)OC(C)(C)C ZINC001193082325 1135096856 /nfs/dbraw/zinc/09/68/56/1135096856.db2.gz QTUASXNPMXGBDI-HOTGVXAUSA-N 1 2 325.493 3.682 20 0 EHADLO CCCC[C@H](C)NC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001193089808 1135098521 /nfs/dbraw/zinc/09/85/21/1135098521.db2.gz QNMWUGQKVLPIPM-AWEZNQCLSA-N 1 2 348.878 3.963 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000775570922 1135104728 /nfs/dbraw/zinc/10/47/28/1135104728.db2.gz UWHHKWBHJABZFT-RYUDHWBXSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000775570922 1135104733 /nfs/dbraw/zinc/10/47/33/1135104733.db2.gz UWHHKWBHJABZFT-RYUDHWBXSA-N 1 2 328.815 3.751 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775580228 1135111822 /nfs/dbraw/zinc/11/18/22/1135111822.db2.gz IHPPJDLNHMYANZ-FQEVSTJZSA-N 1 2 336.414 3.803 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775580228 1135111824 /nfs/dbraw/zinc/11/18/24/1135111824.db2.gz IHPPJDLNHMYANZ-FQEVSTJZSA-N 1 2 336.414 3.803 20 0 EHADLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000775588140 1135120623 /nfs/dbraw/zinc/12/06/23/1135120623.db2.gz IERXBSSTFIRLRC-LBPRGKRZSA-N 1 2 328.815 3.704 20 0 EHADLO CCOC(=O)N1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000775588140 1135120625 /nfs/dbraw/zinc/12/06/25/1135120625.db2.gz IERXBSSTFIRLRC-LBPRGKRZSA-N 1 2 328.815 3.704 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001193272139 1135120723 /nfs/dbraw/zinc/12/07/23/1135120723.db2.gz FTJFCDZWGTZVQZ-KRWDZBQOSA-N 1 2 347.455 3.560 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001193272139 1135120725 /nfs/dbraw/zinc/12/07/25/1135120725.db2.gz FTJFCDZWGTZVQZ-KRWDZBQOSA-N 1 2 347.455 3.560 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000775590579 1135124640 /nfs/dbraw/zinc/12/46/40/1135124640.db2.gz BQTAPSJNFRYJEW-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000775590579 1135124643 /nfs/dbraw/zinc/12/46/43/1135124643.db2.gz BQTAPSJNFRYJEW-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO CCN1CC[NH+](Cc2ccc(NC(=O)OC3CCCCC3)cc2)CC1 ZINC001193629536 1135162269 /nfs/dbraw/zinc/16/22/69/1135162269.db2.gz ODFMOSJYSGMEQC-UHFFFAOYSA-N 1 2 345.487 3.705 20 0 EHADLO OC[C@]1([NH2+]Cc2nccc(Cl)c2Cl)CCCc2ccccc21 ZINC001193732748 1135174129 /nfs/dbraw/zinc/17/41/29/1135174129.db2.gz AIUGEDNMKGUOBQ-QGZVFWFLSA-N 1 2 337.250 3.702 20 0 EHADLO CC1=C(Br)C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001193881940 1135192573 /nfs/dbraw/zinc/19/25/73/1135192573.db2.gz WPJULSBJGAHUHO-UHFFFAOYSA-N 1 2 346.171 3.883 20 0 EHADLO CC1=C(Br)C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001193881940 1135192577 /nfs/dbraw/zinc/19/25/77/1135192577.db2.gz WPJULSBJGAHUHO-UHFFFAOYSA-N 1 2 346.171 3.883 20 0 EHADLO Cc1cc(CNC(=O)c2cnc(Cc3ccccc3)s2)cc(C)[nH+]1 ZINC001130042464 1135225784 /nfs/dbraw/zinc/22/57/84/1135225784.db2.gz BBNFUAVABWIESD-UHFFFAOYSA-N 1 2 337.448 3.676 20 0 EHADLO CCCOC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001194148217 1135234274 /nfs/dbraw/zinc/23/42/74/1135234274.db2.gz WBPRDBKTTVPGHJ-UHFFFAOYSA-N 1 2 328.815 3.580 20 0 EHADLO CCCCCCOC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194202878 1135242443 /nfs/dbraw/zinc/24/24/43/1135242443.db2.gz AUWCCLGDKKCMAL-MJGOQNOKSA-N 1 2 348.487 3.582 20 0 EHADLO CCCCCCOC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194202878 1135242448 /nfs/dbraw/zinc/24/24/48/1135242448.db2.gz AUWCCLGDKKCMAL-MJGOQNOKSA-N 1 2 348.487 3.582 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001194280843 1135248813 /nfs/dbraw/zinc/24/88/13/1135248813.db2.gz YLZPDEPPTFLXSJ-ZDUSSCGKSA-N 1 2 328.815 3.580 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC001194280843 1135248818 /nfs/dbraw/zinc/24/88/18/1135248818.db2.gz YLZPDEPPTFLXSJ-ZDUSSCGKSA-N 1 2 328.815 3.580 20 0 EHADLO Cc1ccc(OC(=O)N2CCN(c3[nH+]ccc4ccccc43)CC2)cc1 ZINC001194446597 1135275025 /nfs/dbraw/zinc/27/50/25/1135275025.db2.gz WUOQNOXXIKOXIC-UHFFFAOYSA-N 1 2 347.418 3.864 20 0 EHADLO OCC[C@H]1COCC[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000805747229 1135317389 /nfs/dbraw/zinc/31/73/89/1135317389.db2.gz WQYPAEYUKVZKMU-IBGZPJMESA-N 1 2 343.492 3.562 20 0 EHADLO OCC[C@H]1COCC[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000805747229 1135317394 /nfs/dbraw/zinc/31/73/94/1135317394.db2.gz WQYPAEYUKVZKMU-IBGZPJMESA-N 1 2 343.492 3.562 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2nc3ccc(F)cc3o2)c1 ZINC001194880485 1135333958 /nfs/dbraw/zinc/33/39/58/1135333958.db2.gz XZIQODCAZHOBDK-UHFFFAOYSA-N 1 2 336.326 3.620 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cc(O)cc(Cl)c2)c1 ZINC001194908601 1135338841 /nfs/dbraw/zinc/33/88/41/1135338841.db2.gz XNZQXXNRAGBQIA-UHFFFAOYSA-N 1 2 327.771 3.698 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC001194927292 1135342195 /nfs/dbraw/zinc/34/21/95/1135342195.db2.gz LOAIAOIYQGKRBL-ZDUSSCGKSA-N 1 2 333.382 3.642 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)OCCCc1[nH+]ccn1C ZINC000805923162 1135355953 /nfs/dbraw/zinc/35/59/53/1135355953.db2.gz BXMMZZMRUTUPBR-UHFFFAOYSA-N 1 2 332.400 3.872 20 0 EHADLO CC[C@H](C)OC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001195077959 1135365885 /nfs/dbraw/zinc/36/58/85/1135365885.db2.gz YFEDASYRNMRWNX-ZDUSSCGKSA-N 1 2 344.377 3.758 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806129802 1135396026 /nfs/dbraw/zinc/39/60/26/1135396026.db2.gz JZYCSKDNTMLNRU-FUHWJXTLSA-N 1 2 338.842 3.835 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695037 1135456430 /nfs/dbraw/zinc/45/64/30/1135456430.db2.gz SZJHJXRJYIICKQ-BFUOFWGJSA-N 1 2 345.389 3.841 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695037 1135456431 /nfs/dbraw/zinc/45/64/31/1135456431.db2.gz SZJHJXRJYIICKQ-BFUOFWGJSA-N 1 2 345.389 3.841 20 0 EHADLO C[NH+](C)[C@H](c1nc(CC2(c3ccccc3)CC2)no1)c1ccccc1 ZINC000867137969 1135481851 /nfs/dbraw/zinc/48/18/51/1135481851.db2.gz DMVRGZMWRBYLRJ-IBGZPJMESA-N 1 2 333.435 3.995 20 0 EHADLO Cc1cn2cc(NC(=S)NCc3cccc(Cl)c3)ccc2[nH+]1 ZINC001195953726 1135499429 /nfs/dbraw/zinc/49/94/29/1135499429.db2.gz QTPZBYAMJHILIZ-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO Cc1cccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC001196412982 1135560200 /nfs/dbraw/zinc/56/02/00/1135560200.db2.gz MQAUDTCWKGATKF-KRWDZBQOSA-N 1 2 341.480 3.939 20 0 EHADLO CC/C(=C\C(=O)NCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000747417809 1135567447 /nfs/dbraw/zinc/56/74/47/1135567447.db2.gz ZOUNGLPVKLBXHO-FOCLMDBBSA-N 1 2 339.439 3.502 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC2)c1cccc(Cl)c1 ZINC001131044407 1135570008 /nfs/dbraw/zinc/57/00/08/1135570008.db2.gz CHIRJNZTHPMSLB-INIZCTEOSA-N 1 2 330.815 3.516 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3nccc(Cl)c3Cl)C2)nc1 ZINC001196573228 1135583708 /nfs/dbraw/zinc/58/37/08/1135583708.db2.gz GHUUSCXJGCUNKO-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nccc(Cl)c3Cl)C2)nc1 ZINC001196573228 1135583711 /nfs/dbraw/zinc/58/37/11/1135583711.db2.gz GHUUSCXJGCUNKO-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)nc1 ZINC001196572830 1135584259 /nfs/dbraw/zinc/58/42/59/1135584259.db2.gz BKZNGQUUKXUNFX-AWEZNQCLSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C2)nc1 ZINC001196572830 1135584263 /nfs/dbraw/zinc/58/42/63/1135584263.db2.gz BKZNGQUUKXUNFX-AWEZNQCLSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1nc(Cl)cc(Cl)c1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001196696563 1135597244 /nfs/dbraw/zinc/59/72/44/1135597244.db2.gz AUQBXLXYFWDTDQ-UHFFFAOYSA-N 1 2 339.226 3.548 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CC12CCC(CC1)C2 ZINC001196758906 1135601853 /nfs/dbraw/zinc/60/18/53/1135601853.db2.gz KKOQZPWAGSNKOJ-KGYZHSKHSA-N 1 2 335.875 3.984 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230654 1135632693 /nfs/dbraw/zinc/63/26/93/1135632693.db2.gz NCHADBWVTJALQR-INIZCTEOSA-N 1 2 328.485 3.791 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230654 1135632695 /nfs/dbraw/zinc/63/26/95/1135632695.db2.gz NCHADBWVTJALQR-INIZCTEOSA-N 1 2 328.485 3.791 20 0 EHADLO Fc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1Cl ZINC001197086876 1135644123 /nfs/dbraw/zinc/64/41/23/1135644123.db2.gz OPQYDZRKFKZOGE-OAHLLOKOSA-N 1 2 331.822 3.859 20 0 EHADLO Fc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1Cl ZINC001197086876 1135644126 /nfs/dbraw/zinc/64/41/26/1135644126.db2.gz OPQYDZRKFKZOGE-OAHLLOKOSA-N 1 2 331.822 3.859 20 0 EHADLO CCOc1ccc(C)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001197141403 1135649519 /nfs/dbraw/zinc/64/95/19/1135649519.db2.gz PHNARLYXNLQCMO-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO CNc1cc(CNC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc[nH+]1 ZINC001197616277 1135708618 /nfs/dbraw/zinc/70/86/18/1135708618.db2.gz GPHKJTYQAIDPSF-UHFFFAOYSA-N 1 2 342.443 3.751 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cccc(C2CCC2)n1 ZINC001197869299 1135749475 /nfs/dbraw/zinc/74/94/75/1135749475.db2.gz BOTQPCQCNZQKEL-UHFFFAOYSA-N 1 2 346.434 3.807 20 0 EHADLO CC(C)c1scnc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000808915505 1135760566 /nfs/dbraw/zinc/76/05/66/1135760566.db2.gz ZELLMLWDJZICRV-LBPRGKRZSA-N 1 2 335.477 3.699 20 0 EHADLO CC(C)C[N@H+](Cc1ccccn1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC001198002834 1135760809 /nfs/dbraw/zinc/76/08/09/1135760809.db2.gz XZZVXGBFKPKZPY-KRWDZBQOSA-N 1 2 335.455 3.882 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccn1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC001198002834 1135760812 /nfs/dbraw/zinc/76/08/12/1135760812.db2.gz XZZVXGBFKPKZPY-KRWDZBQOSA-N 1 2 335.455 3.882 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1c(F)cccc1F ZINC001197979297 1135763072 /nfs/dbraw/zinc/76/30/72/1135763072.db2.gz WXHRYSAXRQKEEN-ZBEGNZNMSA-N 1 2 334.341 3.560 20 0 EHADLO Cc1c[nH+]ccc1NC(=S)Nc1ccccc1OC(F)(F)F ZINC001198130265 1135774339 /nfs/dbraw/zinc/77/43/39/1135774339.db2.gz XJDZFDOMVUOSRM-UHFFFAOYSA-N 1 2 327.331 3.519 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(NC(=S)NCCn2cc[nH+]c2)c1 ZINC001198201436 1135784315 /nfs/dbraw/zinc/78/43/15/1135784315.db2.gz WYHSOCVLZBBXJI-UHFFFAOYSA-N 1 2 348.781 3.542 20 0 EHADLO CC(=O)c1cc(F)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000809349967 1135823302 /nfs/dbraw/zinc/82/33/02/1135823302.db2.gz KNUFHPXOCLWFOX-UHFFFAOYSA-N 1 2 327.334 3.965 20 0 EHADLO CCCC[C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(C)C ZINC001131688182 1135831175 /nfs/dbraw/zinc/83/11/75/1135831175.db2.gz ZMYGVHOSQUSRFT-KRWDZBQOSA-N 1 2 349.544 3.713 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC(C)(C)C ZINC001170579586 1135838355 /nfs/dbraw/zinc/83/83/55/1135838355.db2.gz VGMZBJJTUQVQLR-CVEARBPZSA-N 1 2 343.508 3.989 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@@H+]1CC[C@H]1CCC[C@@H](C)C1 ZINC001198676297 1135846458 /nfs/dbraw/zinc/84/64/58/1135846458.db2.gz MJQCEOUYVBNIBB-CLCXKQKWSA-N 1 2 331.456 3.508 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@H+]1CC[C@H]1CCC[C@@H](C)C1 ZINC001198676297 1135846460 /nfs/dbraw/zinc/84/64/60/1135846460.db2.gz MJQCEOUYVBNIBB-CLCXKQKWSA-N 1 2 331.456 3.508 20 0 EHADLO Cc1cccc(NC(=S)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC001198704222 1135850621 /nfs/dbraw/zinc/85/06/21/1135850621.db2.gz VJGUEBXNIPISDP-UHFFFAOYSA-N 1 2 340.496 3.593 20 0 EHADLO CCc1ccc2c(c1)C[N@H+]([C@H](C)c1nc(-c3cccnc3)no1)CC2 ZINC001198850695 1135860629 /nfs/dbraw/zinc/86/06/29/1135860629.db2.gz BUCVFYZQKAGJBS-CQSZACIVSA-N 1 2 334.423 3.813 20 0 EHADLO CCc1ccc2c(c1)C[N@@H+]([C@H](C)c1nc(-c3cccnc3)no1)CC2 ZINC001198850695 1135860631 /nfs/dbraw/zinc/86/06/31/1135860631.db2.gz BUCVFYZQKAGJBS-CQSZACIVSA-N 1 2 334.423 3.813 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000809721158 1135878531 /nfs/dbraw/zinc/87/85/31/1135878531.db2.gz UOBMQTTUAUPYHY-CYBMUJFWSA-N 1 2 344.377 3.593 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000809721158 1135878534 /nfs/dbraw/zinc/87/85/34/1135878534.db2.gz UOBMQTTUAUPYHY-CYBMUJFWSA-N 1 2 344.377 3.593 20 0 EHADLO Cc1ccc(NCc2cccc3[nH+]ccn32)c(OC[C@@H]2CCCO2)c1 ZINC001199707804 1135921440 /nfs/dbraw/zinc/92/14/40/1135921440.db2.gz ADKCKPRPBDJYHO-KRWDZBQOSA-N 1 2 337.423 3.813 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)s1 ZINC000810176507 1135933881 /nfs/dbraw/zinc/93/38/81/1135933881.db2.gz NLAZXFSMJXIBQI-UHFFFAOYSA-N 1 2 349.500 3.824 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810179431 1135934580 /nfs/dbraw/zinc/93/45/80/1135934580.db2.gz RBJXRSPZXPIOIL-HNNXBMFYSA-N 1 2 348.450 3.931 20 0 EHADLO O=C(OCCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776082550 1135949733 /nfs/dbraw/zinc/94/97/33/1135949733.db2.gz LCJAVMYQOCKSPE-UHFFFAOYSA-N 1 2 328.412 3.769 20 0 EHADLO C[C@H]1CC[C@@H](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001273845347 1135954872 /nfs/dbraw/zinc/95/48/72/1135954872.db2.gz FPQNKOMRVMDYBI-UONOGXRCSA-N 1 2 331.847 3.968 20 0 EHADLO C[C@@H]1CC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H](C)C1 ZINC000810590151 1135979524 /nfs/dbraw/zinc/97/95/24/1135979524.db2.gz FDYYUCLNKACHLT-MDZRGWNJSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1cc(NC(=S)NCc2c[nH+]cn2CC2CCC2)ccc1F ZINC001201048357 1135981593 /nfs/dbraw/zinc/98/15/93/1135981593.db2.gz CJCWFNSAXFSMRT-UHFFFAOYSA-N 1 2 332.448 3.617 20 0 EHADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccon2)o1 ZINC000747621875 1135989986 /nfs/dbraw/zinc/98/99/86/1135989986.db2.gz DIDONUNSVWBZHB-UHFFFAOYSA-N 1 2 334.379 3.719 20 0 EHADLO CC[C@@H]1CCC[C@@H](CNc2ccc(N3CCC(CO)CC3)c[nH+]2)C1 ZINC001201180324 1135992599 /nfs/dbraw/zinc/99/25/99/1135992599.db2.gz SMIUQOFLCFYURG-SJLPKXTDSA-N 1 2 331.504 3.919 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001132404027 1135994077 /nfs/dbraw/zinc/99/40/77/1135994077.db2.gz BHLKKCDSJGBQDJ-OAHLLOKOSA-N 1 2 335.234 3.910 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001132404027 1135994080 /nfs/dbraw/zinc/99/40/80/1135994080.db2.gz BHLKKCDSJGBQDJ-OAHLLOKOSA-N 1 2 335.234 3.910 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC001201193830 1135994378 /nfs/dbraw/zinc/99/43/78/1135994378.db2.gz LVSORWXHGJWUQZ-UHFFFAOYSA-N 1 2 340.496 3.608 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]cn2CC2CC2)cc1 ZINC001201192718 1135994487 /nfs/dbraw/zinc/99/44/87/1135994487.db2.gz UONBMKJKHRXJOX-UHFFFAOYSA-N 1 2 332.498 3.502 20 0 EHADLO COC(=O)c1scc(-c2ccccc2)c1Nc1ccc(N)[nH+]c1 ZINC001201276614 1136003165 /nfs/dbraw/zinc/00/31/65/1136003165.db2.gz XWIKVXMPOACJDA-UHFFFAOYSA-N 1 2 325.393 3.923 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001201278923 1136003490 /nfs/dbraw/zinc/00/34/90/1136003490.db2.gz JSGBMFQQEOBPOD-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Cc1cncc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@@H]3C)c1 ZINC001201434387 1136024046 /nfs/dbraw/zinc/02/40/46/1136024046.db2.gz ANYXUEWVCRFWIJ-MRXNPFEDSA-N 1 2 342.487 3.726 20 0 EHADLO Cc1cncc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@@H]3C)c1 ZINC001201434387 1136024049 /nfs/dbraw/zinc/02/40/49/1136024049.db2.gz ANYXUEWVCRFWIJ-MRXNPFEDSA-N 1 2 342.487 3.726 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC(C)(C)c2ccccc2)c1C ZINC000747670954 1136039963 /nfs/dbraw/zinc/03/99/63/1136039963.db2.gz MLCINIOWPJEWSX-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC001201618326 1136047515 /nfs/dbraw/zinc/04/75/15/1136047515.db2.gz OYDCRMAUYMBBEH-QGZVFWFLSA-N 1 2 341.455 3.793 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)COc2ccccc2C(C)C)c1C ZINC000747679172 1136054718 /nfs/dbraw/zinc/05/47/18/1136054718.db2.gz DZGBNYAKQNFNCR-UHFFFAOYSA-N 1 2 342.439 3.526 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccccc1Br ZINC001201986062 1136076437 /nfs/dbraw/zinc/07/64/37/1136076437.db2.gz KKKFWVPIMCQGPO-UHFFFAOYSA-N 1 2 337.221 3.548 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)Nc1ccccc1Cl ZINC001202063327 1136087961 /nfs/dbraw/zinc/08/79/61/1136087961.db2.gz GZPSOBJETNONJZ-UHFFFAOYSA-N 1 2 345.830 3.816 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000811465374 1136090575 /nfs/dbraw/zinc/09/05/75/1136090575.db2.gz VCKMMBKOZNIDPR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000811465374 1136090578 /nfs/dbraw/zinc/09/05/78/1136090578.db2.gz VCKMMBKOZNIDPR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000811465374 1136090582 /nfs/dbraw/zinc/09/05/82/1136090582.db2.gz VCKMMBKOZNIDPR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000811511400 1136102552 /nfs/dbraw/zinc/10/25/52/1136102552.db2.gz IDDHERUVQAVNGF-CYBMUJFWSA-N 1 2 328.865 3.645 20 0 EHADLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000811511400 1136102554 /nfs/dbraw/zinc/10/25/54/1136102554.db2.gz IDDHERUVQAVNGF-CYBMUJFWSA-N 1 2 328.865 3.645 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3ccccc3C(F)(F)F)c[nH+]c12 ZINC001202172904 1136105208 /nfs/dbraw/zinc/10/52/08/1136105208.db2.gz RKIQHSXTVSHGEE-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1C ZINC000811742491 1136128220 /nfs/dbraw/zinc/12/82/20/1136128220.db2.gz ZUYAHGUKVBYNEM-UHFFFAOYSA-N 1 2 341.377 3.925 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1C ZINC000811742491 1136128221 /nfs/dbraw/zinc/12/82/21/1136128221.db2.gz ZUYAHGUKVBYNEM-UHFFFAOYSA-N 1 2 341.377 3.925 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000811743842 1136129089 /nfs/dbraw/zinc/12/90/89/1136129089.db2.gz WCBUZBMQVLQNCK-OAHLLOKOSA-N 1 2 339.361 3.631 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000811743842 1136129092 /nfs/dbraw/zinc/12/90/92/1136129092.db2.gz WCBUZBMQVLQNCK-OAHLLOKOSA-N 1 2 339.361 3.631 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1CCC(F)(F)F ZINC001202329206 1136130130 /nfs/dbraw/zinc/13/01/30/1136130130.db2.gz QGSXIHPZUPUYHY-CYBMUJFWSA-N 1 2 345.409 3.919 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1CCC(F)(F)F ZINC001202329206 1136130133 /nfs/dbraw/zinc/13/01/33/1136130133.db2.gz QGSXIHPZUPUYHY-CYBMUJFWSA-N 1 2 345.409 3.919 20 0 EHADLO Cc1ccc(-c2nn(C[NH+]3C[C@@H]4CCCC[C@H]4C3)c(=O)cc2C)cc1 ZINC000811753489 1136136103 /nfs/dbraw/zinc/13/61/03/1136136103.db2.gz CDXZZTWMAYPROX-OALUTQOASA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2)cc1 ZINC000811803085 1136138115 /nfs/dbraw/zinc/13/81/15/1136138115.db2.gz HWPWNIHQOPLKMV-GOSISDBHSA-N 1 2 341.846 3.613 20 0 EHADLO Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2)cc1 ZINC000811803085 1136138117 /nfs/dbraw/zinc/13/81/17/1136138117.db2.gz HWPWNIHQOPLKMV-GOSISDBHSA-N 1 2 341.846 3.613 20 0 EHADLO Cc1ccc(-c2cnn(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2)cc1 ZINC000811803087 1136138459 /nfs/dbraw/zinc/13/84/59/1136138459.db2.gz HWPWNIHQOPLKMV-SFHVURJKSA-N 1 2 341.846 3.613 20 0 EHADLO Cc1ccc(-c2cnn(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2)cc1 ZINC000811803087 1136138461 /nfs/dbraw/zinc/13/84/61/1136138461.db2.gz HWPWNIHQOPLKMV-SFHVURJKSA-N 1 2 341.846 3.613 20 0 EHADLO CC1(C2CC2)CC[NH+](Cn2ncn(-c3ccccc3)c2=S)CC1 ZINC000811785050 1136140141 /nfs/dbraw/zinc/14/01/41/1136140141.db2.gz UCKPHAYVIMZFCP-UHFFFAOYSA-N 1 2 328.485 3.873 20 0 EHADLO Clc1nn(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000811790325 1136140931 /nfs/dbraw/zinc/14/09/31/1136140931.db2.gz AVPCXRSZZDNBCM-JKSUJKDBSA-N 1 2 331.847 3.681 20 0 EHADLO Clc1nn(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000811790325 1136140932 /nfs/dbraw/zinc/14/09/32/1136140932.db2.gz AVPCXRSZZDNBCM-JKSUJKDBSA-N 1 2 331.847 3.681 20 0 EHADLO CC1(C2CC2)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000811868610 1136148877 /nfs/dbraw/zinc/14/88/77/1136148877.db2.gz WUIMLIRDWLUIKM-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C1CCCCC1 ZINC001170654572 1136160157 /nfs/dbraw/zinc/16/01/57/1136160157.db2.gz GIVHQFQLPLUIBC-CRAIPNDOSA-N 1 2 337.410 3.534 20 0 EHADLO C[C@H](NCc1c(F)cccc1OC(F)F)c1cn2c([nH+]1)CCCC2 ZINC000925486260 1136174311 /nfs/dbraw/zinc/17/43/11/1136174311.db2.gz QHEPXFMZWYVJLO-NSHDSACASA-N 1 2 339.361 3.811 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(-c2cccs2)o1 ZINC000429502700 1136191050 /nfs/dbraw/zinc/19/10/50/1136191050.db2.gz DSQFWIKYCNLZNH-UHFFFAOYSA-N 1 2 341.436 3.813 20 0 EHADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1OCc1cccnc1 ZINC000850051501 1136203271 /nfs/dbraw/zinc/20/32/71/1136203271.db2.gz RTALIFAAAYRILA-UHFFFAOYSA-N 1 2 338.411 3.621 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+](Cc1ccccc1)C1CC1 ZINC000109314433 1136247362 /nfs/dbraw/zinc/24/73/62/1136247362.db2.gz ATZPYDMCJKKJIJ-UHFFFAOYSA-N 1 2 337.448 3.594 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000109314433 1136247365 /nfs/dbraw/zinc/24/73/65/1136247365.db2.gz ATZPYDMCJKKJIJ-UHFFFAOYSA-N 1 2 337.448 3.594 20 0 EHADLO COC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc(Cl)c1F ZINC000850527752 1136278452 /nfs/dbraw/zinc/27/84/52/1136278452.db2.gz YMOAHCAVPDNABV-YESZJQIVSA-N 1 2 335.806 3.935 20 0 EHADLO COC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc(Cl)c1F ZINC000850527750 1136278605 /nfs/dbraw/zinc/27/86/05/1136278605.db2.gz YMOAHCAVPDNABV-IXDOHACOSA-N 1 2 335.806 3.935 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(F)cc(Br)c1C ZINC001133685785 1136312644 /nfs/dbraw/zinc/31/26/44/1136312644.db2.gz DPSLNDRVTWLAPT-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nc(C(C)(C)C)cs2)c1C ZINC000747852397 1136319601 /nfs/dbraw/zinc/31/96/01/1136319601.db2.gz NKNCCWUHCHWAPM-UHFFFAOYSA-N 1 2 348.472 3.783 20 0 EHADLO CO[C@H]1CC[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000851013343 1136328680 /nfs/dbraw/zinc/32/86/80/1136328680.db2.gz PMNOVNOJJRJABV-YJBOKZPZSA-N 1 2 340.423 3.607 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3cc(Br)no3)c2c1 ZINC000813570550 1136348894 /nfs/dbraw/zinc/34/88/94/1136348894.db2.gz QIAXBPBIKANZFU-UHFFFAOYSA-N 1 2 349.184 3.881 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2ccccc2C)c1C ZINC000747861228 1136351332 /nfs/dbraw/zinc/35/13/32/1136351332.db2.gz VQAFCTYISCPCEW-INIZCTEOSA-N 1 2 341.455 3.918 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401402 1136377117 /nfs/dbraw/zinc/37/71/17/1136377117.db2.gz LMLIPRIALIEMGV-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000814075682 1136399810 /nfs/dbraw/zinc/39/98/10/1136399810.db2.gz VKQFRTOTQBNRLO-QGZVFWFLSA-N 1 2 342.439 3.643 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000814075682 1136399813 /nfs/dbraw/zinc/39/98/13/1136399813.db2.gz VKQFRTOTQBNRLO-QGZVFWFLSA-N 1 2 342.439 3.643 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccccc2C)cc1 ZINC000851793169 1136407494 /nfs/dbraw/zinc/40/74/94/1136407494.db2.gz XKPHDEDRNKNLLB-ZDUSSCGKSA-N 1 2 343.452 3.591 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000851814439 1136410561 /nfs/dbraw/zinc/41/05/61/1136410561.db2.gz PZDBRGIBIDKSPZ-AZUAARDMSA-N 1 2 343.492 3.733 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000851814439 1136410564 /nfs/dbraw/zinc/41/05/64/1136410564.db2.gz PZDBRGIBIDKSPZ-AZUAARDMSA-N 1 2 343.492 3.733 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000814224151 1136424904 /nfs/dbraw/zinc/42/49/04/1136424904.db2.gz AHUBYWBJFVYYSR-IBGZPJMESA-N 1 2 347.462 3.714 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000814224151 1136424906 /nfs/dbraw/zinc/42/49/06/1136424906.db2.gz AHUBYWBJFVYYSR-IBGZPJMESA-N 1 2 347.462 3.714 20 0 EHADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000776586094 1136442133 /nfs/dbraw/zinc/44/21/33/1136442133.db2.gz JXFBIFGZQNILSH-AWEZNQCLSA-N 1 2 332.469 3.675 20 0 EHADLO CC(C)COC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000776586094 1136442135 /nfs/dbraw/zinc/44/21/35/1136442135.db2.gz JXFBIFGZQNILSH-AWEZNQCLSA-N 1 2 332.469 3.675 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814657924 1136486699 /nfs/dbraw/zinc/48/66/99/1136486699.db2.gz KEPHUWDSVIAMFP-CQSZACIVSA-N 1 2 343.427 3.996 20 0 EHADLO O[C@@H](C[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067015 1136505473 /nfs/dbraw/zinc/50/54/73/1136505473.db2.gz MXBRCCXXIXTIMC-ZWKOTPCHSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@@H](C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067015 1136505475 /nfs/dbraw/zinc/50/54/75/1136505475.db2.gz MXBRCCXXIXTIMC-ZWKOTPCHSA-N 1 2 330.378 3.620 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853563352 1136544787 /nfs/dbraw/zinc/54/47/87/1136544787.db2.gz SGRLBJZYZUCUHE-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853563352 1136544790 /nfs/dbraw/zinc/54/47/90/1136544790.db2.gz SGRLBJZYZUCUHE-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000853607438 1136548694 /nfs/dbraw/zinc/54/86/94/1136548694.db2.gz ZJZYSQYFPBLMGG-IBGZPJMESA-N 1 2 337.467 3.913 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000853607438 1136548695 /nfs/dbraw/zinc/54/86/95/1136548695.db2.gz ZJZYSQYFPBLMGG-IBGZPJMESA-N 1 2 337.467 3.913 20 0 EHADLO C[N@H+](C[C@H]1CC1(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000853627469 1136550081 /nfs/dbraw/zinc/55/00/81/1136550081.db2.gz VVKIZSHNALAHKM-CQSZACIVSA-N 1 2 349.548 3.675 20 0 EHADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000853627469 1136550084 /nfs/dbraw/zinc/55/00/84/1136550084.db2.gz VVKIZSHNALAHKM-CQSZACIVSA-N 1 2 349.548 3.675 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCOc3ccccc3[C@@H]2C)[C@H]1c1ccccc1 ZINC000853632880 1136551184 /nfs/dbraw/zinc/55/11/84/1136551184.db2.gz YMIISIGVINKZQE-TWOQFEAHSA-N 1 2 336.435 3.619 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCOc3ccccc3[C@@H]2C)[C@H]1c1ccccc1 ZINC000853632880 1136551187 /nfs/dbraw/zinc/55/11/87/1136551187.db2.gz YMIISIGVINKZQE-TWOQFEAHSA-N 1 2 336.435 3.619 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000815191185 1136564217 /nfs/dbraw/zinc/56/42/17/1136564217.db2.gz PRZXAFHYRGVCOJ-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc(F)cc1Cl ZINC000815167649 1136565390 /nfs/dbraw/zinc/56/53/90/1136565390.db2.gz BVDILMRCUBFPKK-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc(F)cc1Cl ZINC000815167649 1136565393 /nfs/dbraw/zinc/56/53/93/1136565393.db2.gz BVDILMRCUBFPKK-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO O=C(c1ccc(CF)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000854175211 1136595822 /nfs/dbraw/zinc/59/58/22/1136595822.db2.gz CMEQKTNENQSYJL-DAXSKMNVSA-N 1 2 338.426 3.627 20 0 EHADLO CC(Cl)(Cl)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000776747375 1136624429 /nfs/dbraw/zinc/62/44/29/1136624429.db2.gz CNLXPJJHAFVFHM-CYBMUJFWSA-N 1 2 349.689 3.787 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000338961464 1136631894 /nfs/dbraw/zinc/63/18/94/1136631894.db2.gz CGYATORSEZGJLA-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000338961464 1136631895 /nfs/dbraw/zinc/63/18/95/1136631895.db2.gz CGYATORSEZGJLA-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO CCn1cc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338963065 1136639746 /nfs/dbraw/zinc/63/97/46/1136639746.db2.gz PAQPPEZFSCQJEZ-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1cc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338963065 1136639749 /nfs/dbraw/zinc/63/97/49/1136639749.db2.gz PAQPPEZFSCQJEZ-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000338964413 1136646741 /nfs/dbraw/zinc/64/67/41/1136646741.db2.gz KQKUVAKEUDUYSE-GFCCVEGCSA-N 1 2 334.407 3.844 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000338964413 1136646744 /nfs/dbraw/zinc/64/67/44/1136646744.db2.gz KQKUVAKEUDUYSE-GFCCVEGCSA-N 1 2 334.407 3.844 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001135408928 1136678970 /nfs/dbraw/zinc/67/89/70/1136678970.db2.gz LMNCNFHORMJYTG-OALUTQOASA-N 1 2 339.483 4.000 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](C4CC4)C3)c2cc1C(C)C ZINC000776801204 1136681254 /nfs/dbraw/zinc/68/12/54/1136681254.db2.gz RMYRLOSYCCZTIK-FQEVSTJZSA-N 1 2 341.451 3.836 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](C4CC4)C3)c2cc1C(C)C ZINC000776801204 1136681256 /nfs/dbraw/zinc/68/12/56/1136681256.db2.gz RMYRLOSYCCZTIK-FQEVSTJZSA-N 1 2 341.451 3.836 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001137654404 1136714073 /nfs/dbraw/zinc/71/40/73/1136714073.db2.gz PKKWKFKRJYXLNJ-KRWDZBQOSA-N 1 2 335.806 3.695 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001137654404 1136714076 /nfs/dbraw/zinc/71/40/76/1136714076.db2.gz PKKWKFKRJYXLNJ-KRWDZBQOSA-N 1 2 335.806 3.695 20 0 EHADLO O=C([C@@H]1CCCC[C@@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602771 1136725565 /nfs/dbraw/zinc/72/55/65/1136725565.db2.gz FVZHODDGCWLJFA-QZTJIDSGSA-N 1 2 332.513 3.609 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816648310 1136744797 /nfs/dbraw/zinc/74/47/97/1136744797.db2.gz IOMWORXBFYNFLW-GHMZBOCLSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816648310 1136744801 /nfs/dbraw/zinc/74/48/01/1136744801.db2.gz IOMWORXBFYNFLW-GHMZBOCLSA-N 1 2 328.250 3.697 20 0 EHADLO CC(C)(C)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000817240715 1136787427 /nfs/dbraw/zinc/78/74/27/1136787427.db2.gz MMWYBXRLPBCGKT-UHFFFAOYSA-N 1 2 335.407 3.922 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856718324 1136802300 /nfs/dbraw/zinc/80/23/00/1136802300.db2.gz NBQTXBZIRLUMMU-AWEZNQCLSA-N 1 2 327.465 3.566 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856718324 1136802304 /nfs/dbraw/zinc/80/23/04/1136802304.db2.gz NBQTXBZIRLUMMU-AWEZNQCLSA-N 1 2 327.465 3.566 20 0 EHADLO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000856822363 1136815773 /nfs/dbraw/zinc/81/57/73/1136815773.db2.gz KDCVMIPJWHEVHQ-NVXWUHKLSA-N 1 2 343.414 3.541 20 0 EHADLO CC/C=C(/F)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001136016818 1136840599 /nfs/dbraw/zinc/84/05/99/1136840599.db2.gz NXBKRWHVXWJHSV-CRKCGEKBSA-N 1 2 344.352 3.613 20 0 EHADLO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]c1ccc2c(c1)CCN2 ZINC000817949070 1136850182 /nfs/dbraw/zinc/85/01/82/1136850182.db2.gz HEODTQWJISBRNM-NSHDSACASA-N 1 2 330.819 3.532 20 0 EHADLO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000817950099 1136851195 /nfs/dbraw/zinc/85/11/95/1136851195.db2.gz RUVWXQRTQQVTNS-KGLIPLIRSA-N 1 2 338.398 3.824 20 0 EHADLO CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)C(C)C ZINC001136076036 1136851905 /nfs/dbraw/zinc/85/19/05/1136851905.db2.gz SQRZZOTWHHYIGT-FQEVSTJZSA-N 1 2 346.515 3.802 20 0 EHADLO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170886253 1136858326 /nfs/dbraw/zinc/85/83/26/1136858326.db2.gz PZDACZKSTZWRKK-IRXDYDNUSA-N 1 2 336.273 3.750 20 0 EHADLO CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170886253 1136858329 /nfs/dbraw/zinc/85/83/29/1136858329.db2.gz PZDACZKSTZWRKK-IRXDYDNUSA-N 1 2 336.273 3.750 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000818196342 1136865369 /nfs/dbraw/zinc/86/53/69/1136865369.db2.gz VCCRKQQGYWJXBB-UHFFFAOYSA-N 1 2 338.448 3.907 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)n1 ZINC000818222035 1136867902 /nfs/dbraw/zinc/86/79/02/1136867902.db2.gz VDZPBAYHPJWMRM-UHFFFAOYSA-N 1 2 330.379 3.508 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)s1 ZINC000818355026 1136875302 /nfs/dbraw/zinc/87/53/02/1136875302.db2.gz AETRYJRNRXJWCS-STQMWFEESA-N 1 2 348.468 3.967 20 0 EHADLO CC(C)[NH+]1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC001136146322 1136878827 /nfs/dbraw/zinc/87/88/27/1136878827.db2.gz UPFKXFUYLROCEJ-UHFFFAOYSA-N 1 2 340.851 3.860 20 0 EHADLO COCc1cccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001136152756 1136885700 /nfs/dbraw/zinc/88/57/00/1136885700.db2.gz HSGXAHHYBPCRGG-UHFFFAOYSA-N 1 2 333.391 3.646 20 0 EHADLO CC(C)(C)c1csc(C(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC001136185948 1136911108 /nfs/dbraw/zinc/91/11/08/1136911108.db2.gz WMNOBNHVDPLDBP-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO CCOc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1OC(F)F ZINC000857856036 1136913583 /nfs/dbraw/zinc/91/35/83/1136913583.db2.gz CWDGASWKRYJVQJ-ZDUSSCGKSA-N 1 2 337.370 3.577 20 0 EHADLO CCOc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1OC(F)F ZINC000857856036 1136913586 /nfs/dbraw/zinc/91/35/86/1136913586.db2.gz CWDGASWKRYJVQJ-ZDUSSCGKSA-N 1 2 337.370 3.577 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983373 1136927277 /nfs/dbraw/zinc/92/72/77/1136927277.db2.gz QLWIAUKWTSBWRM-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857986455 1136927317 /nfs/dbraw/zinc/92/73/17/1136927317.db2.gz VLKNVDPXLGYWRX-ZHZWZMEUSA-N 1 2 335.329 3.566 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1[C@H](C)c1ccccc1 ZINC000857984157 1136927552 /nfs/dbraw/zinc/92/75/52/1136927552.db2.gz GTWLQLWHXAMBFC-DNVCBOLYSA-N 1 2 348.450 3.786 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857989470 1136927922 /nfs/dbraw/zinc/92/79/22/1136927922.db2.gz HUAWOOMTFMPORU-KRWDZBQOSA-N 1 2 327.428 3.717 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@@H](C)c1c[nH]c3ccccc31)CCN2 ZINC000858000822 1136928677 /nfs/dbraw/zinc/92/86/77/1136928677.db2.gz NDYZTRZNSMDYKR-CQSZACIVSA-N 1 2 334.423 3.824 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858010357 1136929475 /nfs/dbraw/zinc/92/94/75/1136929475.db2.gz HJTLIQGNNCMSLU-KRWDZBQOSA-N 1 2 329.469 3.767 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858010357 1136929477 /nfs/dbraw/zinc/92/94/77/1136929477.db2.gz HJTLIQGNNCMSLU-KRWDZBQOSA-N 1 2 329.469 3.767 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)c1ccccc1Br ZINC000819409323 1136937178 /nfs/dbraw/zinc/93/71/78/1136937178.db2.gz RNTNYABZJBIIQB-QGZVFWFLSA-N 1 2 349.272 3.969 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)c(OC(F)F)c1 ZINC000858381103 1136963160 /nfs/dbraw/zinc/96/31/60/1136963160.db2.gz LCEAAJVGCQXLTE-JTQLQIEISA-N 1 2 328.384 3.912 20 0 EHADLO CN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136325696 1136985638 /nfs/dbraw/zinc/98/56/38/1136985638.db2.gz FSIRNORHHPAYII-WOVMCDHWSA-N 1 2 341.430 3.850 20 0 EHADLO CC[C@H]1CCc2nc(NC(=O)C(C)(C)n3c[nH+]c(C)c3)sc2C1 ZINC001136323856 1136987025 /nfs/dbraw/zinc/98/70/25/1136987025.db2.gz OBWAEAWHCPPWKZ-LBPRGKRZSA-N 1 2 332.473 3.537 20 0 EHADLO CCOc1cccc(/C=C/C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858728068 1136989226 /nfs/dbraw/zinc/98/92/26/1136989226.db2.gz UQOIDBZSUQZGGY-QZEKMECESA-N 1 2 341.455 3.526 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858727885 1136989294 /nfs/dbraw/zinc/98/92/94/1136989294.db2.gz RSRFTMBVSDSWJS-KSZLIROESA-N 1 2 325.456 3.526 20 0 EHADLO CCC[C@@H](CC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000820408696 1136992963 /nfs/dbraw/zinc/99/29/63/1136992963.db2.gz CIYHFRGAEPJSBA-GOSISDBHSA-N 1 2 331.504 3.973 20 0 EHADLO Fc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000859054656 1137001348 /nfs/dbraw/zinc/00/13/48/1137001348.db2.gz BNFMWEKNIODODZ-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859111817 1137003583 /nfs/dbraw/zinc/00/35/83/1137003583.db2.gz ADGGSOVQUWDIKT-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000859111817 1137003585 /nfs/dbraw/zinc/00/35/85/1137003585.db2.gz ADGGSOVQUWDIKT-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC(C)(C)c1ccc([C@H](NC(=O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC001136401888 1137013444 /nfs/dbraw/zinc/01/34/44/1137013444.db2.gz GTGLQMJGDNCPOT-INIZCTEOSA-N 1 2 342.405 3.800 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)co1 ZINC000821386111 1137024931 /nfs/dbraw/zinc/02/49/31/1137024931.db2.gz IITLEYGTYRXEII-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)co1 ZINC000821386111 1137024932 /nfs/dbraw/zinc/02/49/32/1137024932.db2.gz IITLEYGTYRXEII-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO CC1(C)CCc2onc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2C1 ZINC001136459168 1137030942 /nfs/dbraw/zinc/03/09/42/1137030942.db2.gz JZTJMWTUHOPVJE-UHFFFAOYSA-N 1 2 336.395 3.832 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](CCF)C3)c2cc1C(C)C ZINC000859904465 1137036408 /nfs/dbraw/zinc/03/64/08/1137036408.db2.gz DRVIOSKUZZGFKY-INIZCTEOSA-N 1 2 347.430 3.785 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](CCF)C3)c2cc1C(C)C ZINC000859904465 1137036410 /nfs/dbraw/zinc/03/64/10/1137036410.db2.gz DRVIOSKUZZGFKY-INIZCTEOSA-N 1 2 347.430 3.785 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(c3cccc(C)c3)CCCC2)c[nH+]1 ZINC001136525834 1137046644 /nfs/dbraw/zinc/04/66/44/1137046644.db2.gz YNKRMTAICGRHFS-UHFFFAOYSA-N 1 2 339.483 3.863 20 0 EHADLO O[C@H](C[N@@H+]1CCOc2cc(F)ccc2C1)c1ccc(F)cc1Cl ZINC000860173498 1137047935 /nfs/dbraw/zinc/04/79/35/1137047935.db2.gz YVHNHEJQKSLPGI-MRXNPFEDSA-N 1 2 339.769 3.546 20 0 EHADLO O[C@H](C[N@H+]1CCOc2cc(F)ccc2C1)c1ccc(F)cc1Cl ZINC000860173498 1137047936 /nfs/dbraw/zinc/04/79/36/1137047936.db2.gz YVHNHEJQKSLPGI-MRXNPFEDSA-N 1 2 339.769 3.546 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000117320351 1137050513 /nfs/dbraw/zinc/05/05/13/1137050513.db2.gz MWEYGULFTFSHDX-SFHVURJKSA-N 1 2 341.484 3.782 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000117320351 1137050514 /nfs/dbraw/zinc/05/05/14/1137050514.db2.gz MWEYGULFTFSHDX-SFHVURJKSA-N 1 2 341.484 3.782 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692048 1137070727 /nfs/dbraw/zinc/07/07/27/1137070727.db2.gz TXPGGPRAQQMCMX-UKRRQHHQSA-N 1 2 330.255 3.652 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692048 1137070729 /nfs/dbraw/zinc/07/07/29/1137070729.db2.gz TXPGGPRAQQMCMX-UKRRQHHQSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCN(C)c3ccccc32)ccc1-n1cc[nH+]c1 ZINC001136624677 1137072991 /nfs/dbraw/zinc/07/29/91/1137072991.db2.gz FLRSXYFQLQIMNE-SFHVURJKSA-N 1 2 346.434 3.743 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)[C@H]2CCCCO2)ccc1-n1cc[nH+]c1 ZINC001136625793 1137073237 /nfs/dbraw/zinc/07/32/37/1137073237.db2.gz ZHGCCIKDJGSQMO-QGZVFWFLSA-N 1 2 327.428 3.715 20 0 EHADLO CSCc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822756012 1137073410 /nfs/dbraw/zinc/07/34/10/1137073410.db2.gz QJPQSKMBICLBHZ-KRWDZBQOSA-N 1 2 337.448 3.835 20 0 EHADLO C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCC1 ZINC001136640463 1137078319 /nfs/dbraw/zinc/07/83/19/1137078319.db2.gz YVYWIWQFAKXVFO-AWEZNQCLSA-N 1 2 340.471 3.924 20 0 EHADLO CCOc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1F ZINC000823157320 1137087709 /nfs/dbraw/zinc/08/77/09/1137087709.db2.gz QBKWFUOEABZTIU-QGZVFWFLSA-N 1 2 339.370 3.510 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C=C/COc2ccccc2)n1 ZINC000823224091 1137091351 /nfs/dbraw/zinc/09/13/51/1137091351.db2.gz HWJDCNAGHUPRTA-DHZHZOJOSA-N 1 2 345.468 3.559 20 0 EHADLO CSc1ccccc1CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000777169459 1137091797 /nfs/dbraw/zinc/09/17/97/1137091797.db2.gz WFCOLXSDTJZRMX-UHFFFAOYSA-N 1 2 338.432 3.880 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)C1(C)C ZINC000823397341 1137098170 /nfs/dbraw/zinc/09/81/70/1137098170.db2.gz KZBKFXBVIILDAO-DYEKYZERSA-N 1 2 335.448 3.507 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2cccc3ccccc32)n1 ZINC000823401618 1137098283 /nfs/dbraw/zinc/09/82/83/1137098283.db2.gz DDEMAIMXVZGVFT-HNNXBMFYSA-N 1 2 339.395 3.621 20 0 EHADLO CC(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000777201960 1137111484 /nfs/dbraw/zinc/11/14/84/1137111484.db2.gz KQRWOLVDRCVZAB-UHFFFAOYSA-N 1 2 338.338 3.571 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000861626462 1137115204 /nfs/dbraw/zinc/11/52/04/1137115204.db2.gz QBGYDDFKJHZFOK-HNNXBMFYSA-N 1 2 342.443 3.539 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000861628443 1137115441 /nfs/dbraw/zinc/11/54/41/1137115441.db2.gz SFYIOVAFESPQIU-HNNXBMFYSA-N 1 2 342.443 3.918 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@H]1Cc1ccccc1F ZINC000823980656 1137121424 /nfs/dbraw/zinc/12/14/24/1137121424.db2.gz BGSCPRPUMWAXLZ-INIZCTEOSA-N 1 2 337.398 3.939 20 0 EHADLO O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136834711 1137126549 /nfs/dbraw/zinc/12/65/49/1137126549.db2.gz ZHUQKZKOWOKEIN-UWJYYQICSA-N 1 2 343.430 3.608 20 0 EHADLO CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001136848594 1137130915 /nfs/dbraw/zinc/13/09/15/1137130915.db2.gz JZRMQHFXHVHWAF-BZSNNMDCSA-N 1 2 349.519 3.913 20 0 EHADLO CC(C)[N@H+](Cc1cn(C)nc1Br)Cc1ccc(F)cc1 ZINC000862219139 1137132832 /nfs/dbraw/zinc/13/28/32/1137132832.db2.gz DTAHAAIEZZFXBE-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO CC(C)[N@@H+](Cc1cn(C)nc1Br)Cc1ccc(F)cc1 ZINC000862219139 1137132834 /nfs/dbraw/zinc/13/28/34/1137132834.db2.gz DTAHAAIEZZFXBE-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136859886 1137133254 /nfs/dbraw/zinc/13/32/54/1137133254.db2.gz XBMRMGDUQSPIEM-UHFFFAOYSA-N 1 2 340.858 3.977 20 0 EHADLO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136859886 1137133256 /nfs/dbraw/zinc/13/32/56/1137133256.db2.gz XBMRMGDUQSPIEM-UHFFFAOYSA-N 1 2 340.858 3.977 20 0 EHADLO Clc1cccc2c1CC[C@@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001171056007 1137138236 /nfs/dbraw/zinc/13/82/36/1137138236.db2.gz JMOHZAATQQILEV-VQIMIIECSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1CC[C@@H]([N@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001171056007 1137138237 /nfs/dbraw/zinc/13/82/37/1137138237.db2.gz JMOHZAATQQILEV-VQIMIIECSA-N 1 2 328.843 3.666 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCCCCc1ccccc1 ZINC000862625670 1137152326 /nfs/dbraw/zinc/15/23/26/1137152326.db2.gz XRMRPHAHAJXUNJ-UHFFFAOYSA-N 1 2 339.483 3.681 20 0 EHADLO Cc1ccc2c(C[N@@H+]3C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C3)c[nH]c2c1 ZINC001136969247 1137157354 /nfs/dbraw/zinc/15/73/54/1137157354.db2.gz JBQIBCNOVYAJJJ-RDJZCZTQSA-N 1 2 347.434 3.523 20 0 EHADLO Cc1ccc2c(C[N@H+]3C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C3)c[nH]c2c1 ZINC001136969247 1137157355 /nfs/dbraw/zinc/15/73/55/1137157355.db2.gz JBQIBCNOVYAJJJ-RDJZCZTQSA-N 1 2 347.434 3.523 20 0 EHADLO CCc1nc(C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)cs1 ZINC000824932548 1137158265 /nfs/dbraw/zinc/15/82/65/1137158265.db2.gz RWJAXGGAJVSBCH-UHFFFAOYSA-N 1 2 339.505 3.585 20 0 EHADLO CCc1nc(C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)cs1 ZINC000824932548 1137158266 /nfs/dbraw/zinc/15/82/66/1137158266.db2.gz RWJAXGGAJVSBCH-UHFFFAOYSA-N 1 2 339.505 3.585 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)c2nccn21 ZINC000825016931 1137161944 /nfs/dbraw/zinc/16/19/44/1137161944.db2.gz JRASNIJSSBAXNX-DOMZBBRYSA-N 1 2 341.846 3.733 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)o1 ZINC000825078783 1137164601 /nfs/dbraw/zinc/16/46/01/1137164601.db2.gz DMAGGFMYSJBSRG-UHFFFAOYSA-N 1 2 348.809 3.813 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3cncc(Cl)c3)CC2)cc1 ZINC001136995541 1137167583 /nfs/dbraw/zinc/16/75/83/1137167583.db2.gz QKTCRXOXJXIBEE-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cncc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001136997707 1137168710 /nfs/dbraw/zinc/16/87/10/1137168710.db2.gz KYPBXYPMYAIHSN-FUHWJXTLSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001136997707 1137168711 /nfs/dbraw/zinc/16/87/11/1137168711.db2.gz KYPBXYPMYAIHSN-FUHWJXTLSA-N 1 2 344.842 3.861 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3cccnc3s2)n1 ZINC000825390066 1137174380 /nfs/dbraw/zinc/17/43/80/1137174380.db2.gz YJGRTXBDEFLASY-UHFFFAOYSA-N 1 2 346.481 3.847 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccc3c(c1)COC3)C2 ZINC001137027180 1137175115 /nfs/dbraw/zinc/17/51/15/1137175115.db2.gz IPKWOYNBKSJZNZ-UHFFFAOYSA-N 1 2 343.448 3.513 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC001137027180 1137175116 /nfs/dbraw/zinc/17/51/16/1137175116.db2.gz IPKWOYNBKSJZNZ-UHFFFAOYSA-N 1 2 343.448 3.513 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339778 1137181706 /nfs/dbraw/zinc/18/17/06/1137181706.db2.gz IWPAHTUZKPWCMR-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339778 1137181707 /nfs/dbraw/zinc/18/17/07/1137181707.db2.gz IWPAHTUZKPWCMR-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO O=C([C@@H](c1ccccc1)C1CCCCC1)N1CCc2[nH+]ccn2CC1 ZINC001143635789 1137184931 /nfs/dbraw/zinc/18/49/31/1137184931.db2.gz ZXXGEPNQLMVQJM-FQEVSTJZSA-N 1 2 337.467 3.632 20 0 EHADLO CCOc1c(F)cc(C[N@H+](CC(=O)OC)C2CCCC2)cc1Cl ZINC001143745195 1137195579 /nfs/dbraw/zinc/19/55/79/1137195579.db2.gz PFNXXVYHKRNWJW-UHFFFAOYSA-N 1 2 343.826 3.795 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](CC(=O)OC)C2CCCC2)cc1Cl ZINC001143745195 1137195581 /nfs/dbraw/zinc/19/55/81/1137195581.db2.gz PFNXXVYHKRNWJW-UHFFFAOYSA-N 1 2 343.826 3.795 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001143764560 1137196789 /nfs/dbraw/zinc/19/67/89/1137196789.db2.gz SXSZBPLVQBJQRK-UHFFFAOYSA-N 1 2 349.425 3.801 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001143764560 1137196791 /nfs/dbraw/zinc/19/67/91/1137196791.db2.gz SXSZBPLVQBJQRK-UHFFFAOYSA-N 1 2 349.425 3.801 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001143769141 1137197246 /nfs/dbraw/zinc/19/72/46/1137197246.db2.gz IGYLMXZQDWJZAD-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001143769141 1137197248 /nfs/dbraw/zinc/19/72/48/1137197248.db2.gz IGYLMXZQDWJZAD-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001143769448 1137197299 /nfs/dbraw/zinc/19/72/99/1137197299.db2.gz MVTATATYPKJTKV-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001143769448 1137197300 /nfs/dbraw/zinc/19/73/00/1137197300.db2.gz MVTATATYPKJTKV-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO CCCOc1cccc(-c2noc([C@H]([NH3+])c3cccc(OC)c3)n2)c1 ZINC000863662546 1137197663 /nfs/dbraw/zinc/19/76/63/1137197663.db2.gz UIFQLJUDMDXHRD-QGZVFWFLSA-N 1 2 339.395 3.582 20 0 EHADLO CCCO[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143818416 1137201201 /nfs/dbraw/zinc/20/12/01/1137201201.db2.gz IKKRUQXTRUUNIC-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO CCCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143818416 1137201202 /nfs/dbraw/zinc/20/12/02/1137201202.db2.gz IKKRUQXTRUUNIC-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1F ZINC001143832568 1137203876 /nfs/dbraw/zinc/20/38/76/1137203876.db2.gz AGQZREKMBLELFI-QGZVFWFLSA-N 1 2 341.810 3.549 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1F ZINC001143832568 1137203877 /nfs/dbraw/zinc/20/38/77/1137203877.db2.gz AGQZREKMBLELFI-QGZVFWFLSA-N 1 2 341.810 3.549 20 0 EHADLO Fc1cc(C[N@@H+]2CCC3(C2)OCCO3)ccc1Oc1ccccc1 ZINC000119722756 1137208952 /nfs/dbraw/zinc/20/89/52/1137208952.db2.gz OWSMEMSXSFKJSI-UHFFFAOYSA-N 1 2 329.371 3.567 20 0 EHADLO Fc1cc(C[N@H+]2CCC3(C2)OCCO3)ccc1Oc1ccccc1 ZINC000119722756 1137208954 /nfs/dbraw/zinc/20/89/54/1137208954.db2.gz OWSMEMSXSFKJSI-UHFFFAOYSA-N 1 2 329.371 3.567 20 0 EHADLO COC(=O)c1cc(-c2c[nH+]c(C(C)C)n2C)cn1C(=O)OC(C)(C)C ZINC000863974853 1137209676 /nfs/dbraw/zinc/20/96/76/1137209676.db2.gz TXEIEUUITHXMLU-UHFFFAOYSA-N 1 2 347.415 3.582 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(F)c1F ZINC001143916383 1137214644 /nfs/dbraw/zinc/21/46/44/1137214644.db2.gz AAFDKNHUORIUKI-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(F)c1F ZINC001143916383 1137214645 /nfs/dbraw/zinc/21/46/45/1137214645.db2.gz AAFDKNHUORIUKI-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1F ZINC001143930204 1137217874 /nfs/dbraw/zinc/21/78/74/1137217874.db2.gz CQJKNBKFBFCVDU-UHFFFAOYSA-N 1 2 347.352 3.754 20 0 EHADLO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)n1 ZINC001143934727 1137218259 /nfs/dbraw/zinc/21/82/59/1137218259.db2.gz ZBMVSXJDHUQJRR-MRXNPFEDSA-N 1 2 337.427 3.584 20 0 EHADLO Cn1ccc(C2CC[NH+](Cc3c(Cl)ccc(F)c3F)CC2)n1 ZINC001143960901 1137219364 /nfs/dbraw/zinc/21/93/64/1137219364.db2.gz DPWIHHLZIIQQIG-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000844422403 1137219734 /nfs/dbraw/zinc/21/97/34/1137219734.db2.gz OUFPEHOSAHDJGP-NWDGAFQWSA-N 1 2 341.333 3.610 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456315 1137221455 /nfs/dbraw/zinc/22/14/55/1137221455.db2.gz YYQYEKGUUUCGIF-GASCZTMLSA-N 1 2 337.801 3.590 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456315 1137221456 /nfs/dbraw/zinc/22/14/56/1137221456.db2.gz YYQYEKGUUUCGIF-GASCZTMLSA-N 1 2 337.801 3.590 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000844439670 1137223413 /nfs/dbraw/zinc/22/34/13/1137223413.db2.gz PLWLNTSNJACPJJ-HNNXBMFYSA-N 1 2 328.790 3.708 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000844439670 1137223415 /nfs/dbraw/zinc/22/34/15/1137223415.db2.gz PLWLNTSNJACPJJ-HNNXBMFYSA-N 1 2 328.790 3.708 20 0 EHADLO C[C@H](CC(=O)O[C@@H]1CCc2c1cccc2OCC1CC1)n1cc[nH+]c1 ZINC000844443177 1137223872 /nfs/dbraw/zinc/22/38/72/1137223872.db2.gz JBKOMNLZOKQSTN-AUUYWEPGSA-N 1 2 340.423 3.854 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H](C)c2ccc(F)cc2F)c1C ZINC000120154903 1137236840 /nfs/dbraw/zinc/23/68/40/1137236840.db2.gz RXJHHDUMVXTQLT-LLVKDONJSA-N 1 2 348.393 3.795 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000794706594 1137239746 /nfs/dbraw/zinc/23/97/46/1137239746.db2.gz UTYZFTRRNWFTKY-OAHLLOKOSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000794706594 1137239747 /nfs/dbraw/zinc/23/97/47/1137239747.db2.gz UTYZFTRRNWFTKY-OAHLLOKOSA-N 1 2 343.446 3.765 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147145 1137246054 /nfs/dbraw/zinc/24/60/54/1137246054.db2.gz CQUSGBCWDQIPIA-DOMZBBRYSA-N 1 2 330.255 3.782 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C(=O)CC13CCCC3)CCC2 ZINC000844699392 1137248565 /nfs/dbraw/zinc/24/85/65/1137248565.db2.gz UVWIJZIODUGGIX-AWEZNQCLSA-N 1 2 333.501 3.517 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C(=O)CC13CCCC3)CCC2 ZINC000844699392 1137248566 /nfs/dbraw/zinc/24/85/66/1137248566.db2.gz UVWIJZIODUGGIX-AWEZNQCLSA-N 1 2 333.501 3.517 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3)ccc2=O)CCc2ccccc21 ZINC000844743793 1137249308 /nfs/dbraw/zinc/24/93/08/1137249308.db2.gz ZMVKKJFWLCSWQH-QGZVFWFLSA-N 1 2 345.446 3.530 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)CCc2ccccc21 ZINC000844743793 1137249310 /nfs/dbraw/zinc/24/93/10/1137249310.db2.gz ZMVKKJFWLCSWQH-QGZVFWFLSA-N 1 2 345.446 3.530 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccnn1C1CCCCC1 ZINC000865124465 1137263940 /nfs/dbraw/zinc/26/39/40/1137263940.db2.gz BWXOXEIVCIOOGS-UHFFFAOYSA-N 1 2 349.438 3.755 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865141353 1137264959 /nfs/dbraw/zinc/26/49/59/1137264959.db2.gz RTDDRXRGBLTODH-XDPMZMSMSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1conc1C(F)(F)F ZINC001144349443 1137277022 /nfs/dbraw/zinc/27/70/22/1137277022.db2.gz LHYKKSLZEOPKFY-UHFFFAOYSA-N 1 2 348.284 3.506 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)sc1C ZINC001144359503 1137278421 /nfs/dbraw/zinc/27/84/21/1137278421.db2.gz FFYRWIIJYPCOTN-GFCCVEGCSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)sc1C ZINC001144359503 1137278422 /nfs/dbraw/zinc/27/84/22/1137278422.db2.gz FFYRWIIJYPCOTN-GFCCVEGCSA-N 1 2 339.505 3.591 20 0 EHADLO C[C@@H](CC(=O)OCCc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000845285825 1137283476 /nfs/dbraw/zinc/28/34/76/1137283476.db2.gz KVXRTJMZCKFAAO-NSHDSACASA-N 1 2 327.211 3.927 20 0 EHADLO C[C@@H](CC(=O)OCCOc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845282032 1137283709 /nfs/dbraw/zinc/28/37/09/1137283709.db2.gz LOIWZVYNAZBGIM-NSHDSACASA-N 1 2 343.210 3.763 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(C)o1 ZINC000865479594 1137287385 /nfs/dbraw/zinc/28/73/85/1137287385.db2.gz BAENDIVJBZEVNQ-AWEZNQCLSA-N 1 2 329.318 3.806 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000865519638 1137291125 /nfs/dbraw/zinc/29/11/25/1137291125.db2.gz QBNRVDDGHSEQDA-GFCCVEGCSA-N 1 2 334.261 3.961 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2C)c1 ZINC000845418216 1137293208 /nfs/dbraw/zinc/29/32/08/1137293208.db2.gz AZWNPWLPJOSHHH-QGZVFWFLSA-N 1 2 348.450 3.743 20 0 EHADLO Cn1c2ccccc2n(C[NH+]2CCC(OC(C)(C)C)CC2)c1=S ZINC000120608073 1137293369 /nfs/dbraw/zinc/29/33/69/1137293369.db2.gz IDPBBQQHMYKMNH-UHFFFAOYSA-N 1 2 333.501 3.946 20 0 EHADLO C[C@H](COC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000845502670 1137295298 /nfs/dbraw/zinc/29/52/98/1137295298.db2.gz LURRTSUMICXOAM-CYBMUJFWSA-N 1 2 332.831 3.762 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](OC(=O)C[C@H](C)n3cc[nH+]c3)CCO2)cc1 ZINC000845498676 1137295452 /nfs/dbraw/zinc/29/54/52/1137295452.db2.gz IQCMIHZGULDIDH-SZMVWBNQSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@H](CC(=O)OCCCc1cnc2ccsc2c1)n1cc[nH+]c1 ZINC000845517223 1137296555 /nfs/dbraw/zinc/29/65/55/1137296555.db2.gz RQLZBJAJJQZNJZ-CYBMUJFWSA-N 1 2 329.425 3.620 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1csc2ccccc12 ZINC000845572823 1137298649 /nfs/dbraw/zinc/29/86/49/1137298649.db2.gz UZKZMSLSNZZSAI-UHFFFAOYSA-N 1 2 326.421 3.720 20 0 EHADLO Cc1nc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(C)c(C)[nH+]1 ZINC000845628008 1137301643 /nfs/dbraw/zinc/30/16/43/1137301643.db2.gz WGMSJMMILXOCJB-GOSISDBHSA-N 1 2 331.847 3.543 20 0 EHADLO Cc1nocc1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000865677910 1137303990 /nfs/dbraw/zinc/30/39/90/1137303990.db2.gz OXFPTQRJJLGPKL-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO FC(F)(F)c1ncccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001144531637 1137305896 /nfs/dbraw/zinc/30/58/96/1137305896.db2.gz QWVZEPAAYSYBGW-UHFFFAOYSA-N 1 2 337.345 3.539 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001144531394 1137306083 /nfs/dbraw/zinc/30/60/83/1137306083.db2.gz AZUUFMSBPAOVSI-MRXNPFEDSA-N 1 2 336.357 3.892 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001144531394 1137306084 /nfs/dbraw/zinc/30/60/84/1137306084.db2.gz AZUUFMSBPAOVSI-MRXNPFEDSA-N 1 2 336.357 3.892 20 0 EHADLO OC[C@@H]1CCN(c2ccc([NH2+]C3CCCC3)cc2Br)C1 ZINC000865714069 1137306089 /nfs/dbraw/zinc/30/60/89/1137306089.db2.gz FAQLVGNZHKZELX-GFCCVEGCSA-N 1 2 339.277 3.622 20 0 EHADLO CC[C@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)CC(F)F ZINC000845754715 1137308792 /nfs/dbraw/zinc/30/87/92/1137308792.db2.gz FUIGJKUDNUBOLQ-AWEZNQCLSA-N 1 2 336.382 3.699 20 0 EHADLO CC(C)(C)OC(=O)CC1CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144560961 1137310034 /nfs/dbraw/zinc/31/00/34/1137310034.db2.gz DNXIJOUAVAOMIZ-UHFFFAOYSA-N 1 2 341.398 3.614 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2ccc(Cl)o2)c2n1CCCC2 ZINC000865803872 1137312755 /nfs/dbraw/zinc/31/27/55/1137312755.db2.gz MAFXRXBIBOESAB-UHFFFAOYSA-N 1 2 333.741 3.774 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000865808740 1137313539 /nfs/dbraw/zinc/31/35/39/1137313539.db2.gz SIQSTBOFOWHZOO-UHFFFAOYSA-N 1 2 337.267 3.805 20 0 EHADLO Fc1ccc2c(C[NH2+]Cc3cccc(OC4CC4)c3F)noc2c1 ZINC000865836567 1137315497 /nfs/dbraw/zinc/31/54/97/1137315497.db2.gz JYSNKFRHGSNLLU-UHFFFAOYSA-N 1 2 330.334 3.937 20 0 EHADLO C[NH+](C)c1ccc(NC2CC(CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000845916132 1137318235 /nfs/dbraw/zinc/31/82/35/1137318235.db2.gz XZXYZOVWCLSOEX-UHFFFAOYSA-N 1 2 333.476 3.858 20 0 EHADLO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144659435 1137327050 /nfs/dbraw/zinc/32/70/50/1137327050.db2.gz ITROVCWGFBEYBL-UHFFFAOYSA-N 1 2 341.398 3.614 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)no1 ZINC001144722315 1137339046 /nfs/dbraw/zinc/33/90/46/1137339046.db2.gz UZQLPODPEDEHSS-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)no1 ZINC001144722315 1137339047 /nfs/dbraw/zinc/33/90/47/1137339047.db2.gz UZQLPODPEDEHSS-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866293535 1137343193 /nfs/dbraw/zinc/34/31/93/1137343193.db2.gz RPAKGHJVJNENPC-MAUKXSAKSA-N 1 2 337.341 3.892 20 0 EHADLO C[C@@H](CCc1cccnc1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000866332907 1137346424 /nfs/dbraw/zinc/34/64/24/1137346424.db2.gz CMYIFIOIHXDGIM-YESZJQIVSA-N 1 2 340.471 3.523 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)[nH]1 ZINC000866365626 1137349609 /nfs/dbraw/zinc/34/96/09/1137349609.db2.gz ZDZRNFAKQJKZOY-GOSISDBHSA-N 1 2 335.455 3.787 20 0 EHADLO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866394895 1137351443 /nfs/dbraw/zinc/35/14/43/1137351443.db2.gz XEHXJMFTCVCIFF-AFYVEPGGSA-N 1 2 329.415 3.806 20 0 EHADLO C[C@H](c1nccc(N)n1)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000846792894 1137365931 /nfs/dbraw/zinc/36/59/31/1137365931.db2.gz LZBAYOLMOALMCF-GFCCVEGCSA-N 1 2 345.516 3.753 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ncc(-c2ccc(C)cc2)o1)OCC ZINC000846970043 1137377607 /nfs/dbraw/zinc/37/76/07/1137377607.db2.gz IYRVJDDDNMRRCG-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ncc(-c2ccc(C)cc2)o1)OCC ZINC000846970043 1137377609 /nfs/dbraw/zinc/37/76/09/1137377609.db2.gz IYRVJDDDNMRRCG-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CCOC(C[N@H+](CC)Cc1csc(-c2ccc(C)o2)n1)OCC ZINC000846970818 1137377685 /nfs/dbraw/zinc/37/76/85/1137377685.db2.gz LJDNWLOKWAPOOO-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1csc(-c2ccc(C)o2)n1)OCC ZINC000846970818 1137377687 /nfs/dbraw/zinc/37/76/87/1137377687.db2.gz LJDNWLOKWAPOOO-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO Oc1cccc(C[N@@H+](C/C(Cl)=C/Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000847001578 1137381334 /nfs/dbraw/zinc/38/13/34/1137381334.db2.gz PWSGBCCUYPAJBP-FXIDMKOESA-N 1 2 330.255 3.817 20 0 EHADLO Oc1cccc(C[N@H+](C/C(Cl)=C/Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000847001578 1137381335 /nfs/dbraw/zinc/38/13/35/1137381335.db2.gz PWSGBCCUYPAJBP-FXIDMKOESA-N 1 2 330.255 3.817 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000867628291 1137382945 /nfs/dbraw/zinc/38/29/45/1137382945.db2.gz WBBKDWAWJRAJLJ-UHFFFAOYSA-N 1 2 347.465 3.687 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000867844250 1137387867 /nfs/dbraw/zinc/38/78/67/1137387867.db2.gz WIDLSCBYNKHPBH-KSZLIROESA-N 1 2 337.467 3.566 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC001148189437 1137419408 /nfs/dbraw/zinc/41/94/08/1137419408.db2.gz HXMNTCAXILVWAW-UHFFFAOYSA-N 1 2 330.391 3.675 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1Cc3nc(C)sc3C1)CC2 ZINC001171327607 1137420948 /nfs/dbraw/zinc/42/09/48/1137420948.db2.gz YYNKKIRINDBEMF-NSHDSACASA-N 1 2 334.872 3.987 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1Cc3nc(C)sc3C1)CC2 ZINC001171327607 1137420949 /nfs/dbraw/zinc/42/09/49/1137420949.db2.gz YYNKKIRINDBEMF-NSHDSACASA-N 1 2 334.872 3.987 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC(F)F ZINC001148706754 1137433128 /nfs/dbraw/zinc/43/31/28/1137433128.db2.gz DMFWGONLRXQNMN-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000339087212 1137435361 /nfs/dbraw/zinc/43/53/61/1137435361.db2.gz FGGIGSXKGMWJGZ-MRXNPFEDSA-N 1 2 335.455 3.945 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869103692 1137436768 /nfs/dbraw/zinc/43/67/68/1137436768.db2.gz QHJGDMRCYXJCPA-KUHUBIRLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869103692 1137436770 /nfs/dbraw/zinc/43/67/70/1137436770.db2.gz QHJGDMRCYXJCPA-KUHUBIRLSA-N 1 2 341.430 3.715 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000869104384 1137437058 /nfs/dbraw/zinc/43/70/58/1137437058.db2.gz HLHWSJBFXXWBEK-IRXDYDNUSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000869104384 1137437061 /nfs/dbraw/zinc/43/70/61/1137437061.db2.gz HLHWSJBFXXWBEK-IRXDYDNUSA-N 1 2 341.480 3.781 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104974 1137437152 /nfs/dbraw/zinc/43/71/52/1137437152.db2.gz CUUGVIKJLAWYNE-LJQANCHMSA-N 1 2 349.434 3.761 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104974 1137437153 /nfs/dbraw/zinc/43/71/53/1137437153.db2.gz CUUGVIKJLAWYNE-LJQANCHMSA-N 1 2 349.434 3.761 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000348115715 1137442190 /nfs/dbraw/zinc/44/21/90/1137442190.db2.gz ZKRQVFOAFRPGEG-ZDUSSCGKSA-N 1 2 333.407 3.654 20 0 EHADLO CCOc1ncccc1C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000348109874 1137445814 /nfs/dbraw/zinc/44/58/14/1137445814.db2.gz UHWITTJIRYCFIT-HNNXBMFYSA-N 1 2 338.810 3.750 20 0 EHADLO C/C=C(\C=C\C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000282770093 1137447306 /nfs/dbraw/zinc/44/73/06/1137447306.db2.gz LIVCOPQKSDQKNB-CYTVRDQZSA-N 1 2 327.472 3.838 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2c2nnc(C(C)C)[nH]2)nc(C(C)C)[nH+]1 ZINC000348185261 1137451720 /nfs/dbraw/zinc/45/17/20/1137451720.db2.gz JFQNVBOVDUGXIQ-CQSZACIVSA-N 1 2 328.464 3.882 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(Br)s2)ccc1F ZINC000714924414 1137474312 /nfs/dbraw/zinc/47/43/12/1137474312.db2.gz IPDGWACIOCUPCB-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000795101067 1137478565 /nfs/dbraw/zinc/47/85/65/1137478565.db2.gz PLXIWNQHEVIOQW-HIZVYSOWSA-N 1 2 335.275 3.637 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000795101067 1137478567 /nfs/dbraw/zinc/47/85/67/1137478567.db2.gz PLXIWNQHEVIOQW-HIZVYSOWSA-N 1 2 335.275 3.637 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171492761 1137491691 /nfs/dbraw/zinc/49/16/91/1137491691.db2.gz HWERUZGQJYQRCE-CYBMUJFWSA-N 1 2 347.361 3.608 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171492761 1137491693 /nfs/dbraw/zinc/49/16/93/1137491693.db2.gz HWERUZGQJYQRCE-CYBMUJFWSA-N 1 2 347.361 3.608 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000795120535 1137491745 /nfs/dbraw/zinc/49/17/45/1137491745.db2.gz IGFVHCSQRZYLPE-AWEZNQCLSA-N 1 2 336.233 3.554 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001171480023 1137493540 /nfs/dbraw/zinc/49/35/40/1137493540.db2.gz NHEYAGWZMWJHAQ-ZYSHUDEJSA-N 1 2 333.447 3.937 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001171480023 1137493541 /nfs/dbraw/zinc/49/35/41/1137493541.db2.gz NHEYAGWZMWJHAQ-ZYSHUDEJSA-N 1 2 333.447 3.937 20 0 EHADLO Cc1nc([C@@H]2COCC[N@@H+]2[C@@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567156 1137498232 /nfs/dbraw/zinc/49/82/32/1137498232.db2.gz NOTAXTZYKRFURF-APWZRJJASA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@@H]2COCC[N@H+]2[C@@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567156 1137498234 /nfs/dbraw/zinc/49/82/34/1137498234.db2.gz NOTAXTZYKRFURF-APWZRJJASA-N 1 2 328.481 3.691 20 0 EHADLO C[N@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171617539 1137500952 /nfs/dbraw/zinc/50/09/52/1137500952.db2.gz NAXFWEGFEWPKJX-QWHCGFSZSA-N 1 2 334.451 3.998 20 0 EHADLO C[N@@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171617539 1137500954 /nfs/dbraw/zinc/50/09/54/1137500954.db2.gz NAXFWEGFEWPKJX-QWHCGFSZSA-N 1 2 334.451 3.998 20 0 EHADLO COC(=O)c1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1C ZINC001212625836 1137507357 /nfs/dbraw/zinc/50/73/57/1137507357.db2.gz LKICJKPZYSQCGX-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001171962719 1137519950 /nfs/dbraw/zinc/51/99/50/1137519950.db2.gz CMCQQACJSJTWMI-NSHDSACASA-N 1 2 335.316 3.746 20 0 EHADLO CCC(CC)(CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(F)(F)F ZINC000871264445 1137530238 /nfs/dbraw/zinc/53/02/38/1137530238.db2.gz NHAVLHUGTZSHOU-UHFFFAOYSA-N 1 2 341.377 3.670 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000871461858 1137542518 /nfs/dbraw/zinc/54/25/18/1137542518.db2.gz APSNDJZQVBWTJS-LBPRGKRZSA-N 1 2 345.399 3.541 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000871461858 1137542519 /nfs/dbraw/zinc/54/25/19/1137542519.db2.gz APSNDJZQVBWTJS-LBPRGKRZSA-N 1 2 345.399 3.541 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cccc4ncccc34)c[nH+]2)C[C@H](C)O1 ZINC000871861918 1137561242 /nfs/dbraw/zinc/56/12/42/1137561242.db2.gz PWGBPKPXXOTZLE-HOTGVXAUSA-N 1 2 348.450 3.856 20 0 EHADLO CC(C)(C)c1cn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000871988447 1137564131 /nfs/dbraw/zinc/56/41/31/1137564131.db2.gz CIMAWLCNOBGTNQ-AEFFLSMTSA-N 1 2 328.456 3.636 20 0 EHADLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cc(O)ccc1F ZINC000872082965 1137570259 /nfs/dbraw/zinc/57/02/59/1137570259.db2.gz FGKVEXCFTJTTRZ-LIRRHRJNSA-N 1 2 339.414 3.899 20 0 EHADLO CCS[C@H](C)c1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872174976 1137575292 /nfs/dbraw/zinc/57/52/92/1137575292.db2.gz ILJKMZLCKITYNP-KCJUWKMLSA-N 1 2 331.363 3.951 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2ncc3ccccc3c2=O)c1 ZINC000124050663 1137578851 /nfs/dbraw/zinc/57/88/51/1137578851.db2.gz OIDRMEGLAGLBBM-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2ncc3ccccc3c2=O)c1 ZINC000124050663 1137578852 /nfs/dbraw/zinc/57/88/52/1137578852.db2.gz OIDRMEGLAGLBBM-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137068152 1137591134 /nfs/dbraw/zinc/59/11/34/1137591134.db2.gz XXTZSUBEJQPVLR-UHFFFAOYSA-N 1 2 345.874 3.855 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(N3CCCC3)o2)CCO1 ZINC001137070017 1137595802 /nfs/dbraw/zinc/59/58/02/1137595802.db2.gz XDRRDLOQUZCLRL-FQEVSTJZSA-N 1 2 344.430 3.767 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(N3CCCC3)o2)CCO1 ZINC001137070017 1137595803 /nfs/dbraw/zinc/59/58/03/1137595803.db2.gz XDRRDLOQUZCLRL-FQEVSTJZSA-N 1 2 344.430 3.767 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000825686155 1137605864 /nfs/dbraw/zinc/60/58/64/1137605864.db2.gz DHIWUSKPXGPYNH-ZDUSSCGKSA-N 1 2 345.418 3.725 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)n1cc[nH+]c1 ZINC000874126501 1137610716 /nfs/dbraw/zinc/61/07/16/1137610716.db2.gz SBPISEYYEBUUSO-ZDUSSCGKSA-N 1 2 341.242 3.998 20 0 EHADLO O=C(Cc1csc(C2CCCC2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000874461974 1137614542 /nfs/dbraw/zinc/61/45/42/1137614542.db2.gz YYAZEUZHAVVFEP-UHFFFAOYSA-N 1 2 326.425 3.630 20 0 EHADLO O=C(NCCC1=CCCC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888659403 1137623102 /nfs/dbraw/zinc/62/31/02/1137623102.db2.gz ZCTPLGLQXQKHKL-QAQDUYKDSA-N 1 2 328.460 3.604 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc2ccccc2c1 ZINC001137085200 1137629029 /nfs/dbraw/zinc/62/90/29/1137629029.db2.gz UKCSYNRTEPQIBX-INIZCTEOSA-N 1 2 347.340 3.846 20 0 EHADLO CC(C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)=C1CCC1 ZINC000825826865 1137640282 /nfs/dbraw/zinc/64/02/82/1137640282.db2.gz KGTLGDSDLFPZAE-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO CC(C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)=C1CCC1 ZINC000825826865 1137640283 /nfs/dbraw/zinc/64/02/83/1137640283.db2.gz KGTLGDSDLFPZAE-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1 ZINC000875933796 1137640871 /nfs/dbraw/zinc/64/08/71/1137640871.db2.gz RWQLFTPARNPZDF-MRXNPFEDSA-N 1 2 339.439 3.688 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876208578 1137646064 /nfs/dbraw/zinc/64/60/64/1137646064.db2.gz RALXIFJAUNLBLC-SFHVURJKSA-N 1 2 343.496 3.855 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876208578 1137646065 /nfs/dbraw/zinc/64/60/65/1137646065.db2.gz RALXIFJAUNLBLC-SFHVURJKSA-N 1 2 343.496 3.855 20 0 EHADLO CN(C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000876213313 1137646290 /nfs/dbraw/zinc/64/62/90/1137646290.db2.gz QSQXLLXEKJGKIG-PMACEKPBSA-N 1 2 335.451 3.502 20 0 EHADLO CN(C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000876213313 1137646291 /nfs/dbraw/zinc/64/62/91/1137646291.db2.gz QSQXLLXEKJGKIG-PMACEKPBSA-N 1 2 335.451 3.502 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(C(=O)NC(C)(C)C)c2)c1C ZINC000876842917 1137663407 /nfs/dbraw/zinc/66/34/07/1137663407.db2.gz OKXMFWYXFOBYOL-UHFFFAOYSA-N 1 2 341.455 3.847 20 0 EHADLO Cc1cc(NCc2ccccc2OCCCCO)ccc1[NH+](C)C ZINC000876844857 1137663508 /nfs/dbraw/zinc/66/35/08/1137663508.db2.gz KJKXEJRPRWTOMC-UHFFFAOYSA-N 1 2 328.456 3.824 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Cl)nn1)c1cccc(C(F)(F)F)c1 ZINC000877037688 1137668427 /nfs/dbraw/zinc/66/84/27/1137668427.db2.gz VLQWJTYMUNHFRR-CYBMUJFWSA-N 1 2 345.752 3.626 20 0 EHADLO CCCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001137117486 1137674576 /nfs/dbraw/zinc/67/45/76/1137674576.db2.gz PMFCFHDMJCYOJX-UHFFFAOYSA-N 1 2 325.456 3.513 20 0 EHADLO CCn1c(C[NH2+]Cc2cc(OC)c(O)cc2Cl)nc2ccccc21 ZINC000877343700 1137674619 /nfs/dbraw/zinc/67/46/19/1137674619.db2.gz QVOJSXHKAVSRQT-UHFFFAOYSA-N 1 2 345.830 3.714 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3nc4ccccc4o3)C2=O)c(C)c1 ZINC000877471568 1137677346 /nfs/dbraw/zinc/67/73/46/1137677346.db2.gz YTNWJTMCJNZCME-KRWDZBQOSA-N 1 2 349.434 3.648 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877522112 1137679398 /nfs/dbraw/zinc/67/93/98/1137679398.db2.gz AQMGGKFRFXKYBD-LBPRGKRZSA-N 1 2 334.832 3.978 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877522112 1137679399 /nfs/dbraw/zinc/67/93/99/1137679399.db2.gz AQMGGKFRFXKYBD-LBPRGKRZSA-N 1 2 334.832 3.978 20 0 EHADLO c1ccc2[nH]c(C[NH+]3CCC(c4nc(C5CCC5)no4)CC3)nc2c1 ZINC000877735762 1137687272 /nfs/dbraw/zinc/68/72/72/1137687272.db2.gz GDOYOHYVZDSAEW-UHFFFAOYSA-N 1 2 337.427 3.593 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826003792 1137694811 /nfs/dbraw/zinc/69/48/11/1137694811.db2.gz WGBKHRRWZRHBAA-NSHDSACASA-N 1 2 346.843 3.624 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000877914933 1137695396 /nfs/dbraw/zinc/69/53/96/1137695396.db2.gz KKYVZUZJVYMSKA-MRXNPFEDSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+](Cc3cccc(F)c3)C3CC3)o2)c1 ZINC000877975884 1137697955 /nfs/dbraw/zinc/69/79/55/1137697955.db2.gz LNXSXNKTGUZMEQ-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+](Cc3cccc(F)c3)C3CC3)o2)c1 ZINC000877975884 1137697956 /nfs/dbraw/zinc/69/79/56/1137697956.db2.gz LNXSXNKTGUZMEQ-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1F ZINC000878189766 1137706593 /nfs/dbraw/zinc/70/65/93/1137706593.db2.gz BZKZMWXNNKEYHF-QAPCUYQASA-N 1 2 345.414 3.970 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1F ZINC000878189766 1137706594 /nfs/dbraw/zinc/70/65/94/1137706594.db2.gz BZKZMWXNNKEYHF-QAPCUYQASA-N 1 2 345.414 3.970 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)n1 ZINC000878256153 1137708885 /nfs/dbraw/zinc/70/88/85/1137708885.db2.gz WKQDYYDQJZCBSD-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)n1 ZINC000878256153 1137708886 /nfs/dbraw/zinc/70/88/86/1137708886.db2.gz WKQDYYDQJZCBSD-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc2c(c1)OCO2 ZINC000878348685 1137711913 /nfs/dbraw/zinc/71/19/13/1137711913.db2.gz SWPOAPVQZNKSKT-LBPRGKRZSA-N 1 2 328.412 3.769 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000127073089 1137712553 /nfs/dbraw/zinc/71/25/53/1137712553.db2.gz IVQQKZRSVFFKDT-UHFFFAOYSA-N 1 2 329.465 3.513 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000127073089 1137712554 /nfs/dbraw/zinc/71/25/54/1137712554.db2.gz IVQQKZRSVFFKDT-UHFFFAOYSA-N 1 2 329.465 3.513 20 0 EHADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878372571 1137713308 /nfs/dbraw/zinc/71/33/08/1137713308.db2.gz MJXNCUIGAUKKIM-SFHVURJKSA-N 1 2 342.439 3.584 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391295 1137714057 /nfs/dbraw/zinc/71/40/57/1137714057.db2.gz CYRLYEPNTLJCDL-GHMZBOCLSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391295 1137714058 /nfs/dbraw/zinc/71/40/58/1137714058.db2.gz CYRLYEPNTLJCDL-GHMZBOCLSA-N 1 2 341.333 3.605 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1scnc1Cl)c1ccccc1 ZINC000878401136 1137714312 /nfs/dbraw/zinc/71/43/12/1137714312.db2.gz OSGCKXSEAQBZBC-CYBMUJFWSA-N 1 2 338.860 3.969 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405435 1137714484 /nfs/dbraw/zinc/71/44/84/1137714484.db2.gz ZYBWJWPRBKTRTH-CJNGLKHVSA-N 1 2 335.398 3.740 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405435 1137714485 /nfs/dbraw/zinc/71/44/85/1137714485.db2.gz ZYBWJWPRBKTRTH-CJNGLKHVSA-N 1 2 335.398 3.740 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc3ccc(Cl)cc3n2)CCO1 ZINC000878446219 1137716336 /nfs/dbraw/zinc/71/63/36/1137716336.db2.gz DVCCGLMXQSIALI-KRWDZBQOSA-N 1 2 334.847 3.514 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc3ccc(Cl)cc3n2)CCO1 ZINC000878446219 1137716337 /nfs/dbraw/zinc/71/63/37/1137716337.db2.gz DVCCGLMXQSIALI-KRWDZBQOSA-N 1 2 334.847 3.514 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnc(-c3ccccc3O)o1)CC2 ZINC000878458529 1137716936 /nfs/dbraw/zinc/71/69/36/1137716936.db2.gz PXDGKCJPYSEDMB-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnc(-c3ccccc3O)o1)CC2 ZINC000878458529 1137716937 /nfs/dbraw/zinc/71/69/37/1137716937.db2.gz PXDGKCJPYSEDMB-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO COc1ccccc1-c1nc(C[NH+]2CC(C)(C)OC(C)(C)C2)co1 ZINC000878485208 1137717589 /nfs/dbraw/zinc/71/75/89/1137717589.db2.gz KKHDKHVDFGXPAL-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO C[N@H+](Cn1nc2n(c1=S)CCCCC2)[C@H]1CCc2ccccc21 ZINC000022757955 1137718651 /nfs/dbraw/zinc/71/86/51/1137718651.db2.gz BAERRNQVMBPLOK-INIZCTEOSA-N 1 2 328.485 3.717 20 0 EHADLO C[N@@H+](Cn1nc2n(c1=S)CCCCC2)[C@H]1CCc2ccccc21 ZINC000022757955 1137718652 /nfs/dbraw/zinc/71/86/52/1137718652.db2.gz BAERRNQVMBPLOK-INIZCTEOSA-N 1 2 328.485 3.717 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000878542613 1137719574 /nfs/dbraw/zinc/71/95/74/1137719574.db2.gz OSWXBYOOOPIHJF-ZDUSSCGKSA-N 1 2 338.238 3.575 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000878542613 1137719575 /nfs/dbraw/zinc/71/95/75/1137719575.db2.gz OSWXBYOOOPIHJF-ZDUSSCGKSA-N 1 2 338.238 3.575 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878608642 1137722045 /nfs/dbraw/zinc/72/20/45/1137722045.db2.gz YEXUXRAKIBPDNM-LLVKDONJSA-N 1 2 331.256 3.578 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878608642 1137722046 /nfs/dbraw/zinc/72/20/46/1137722046.db2.gz YEXUXRAKIBPDNM-LLVKDONJSA-N 1 2 331.256 3.578 20 0 EHADLO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000878606326 1137722060 /nfs/dbraw/zinc/72/20/60/1137722060.db2.gz NZXLOSFLAYVHQQ-IBGZPJMESA-N 1 2 341.455 3.591 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000878619343 1137722628 /nfs/dbraw/zinc/72/26/28/1137722628.db2.gz WXSQCGTZLAKWJF-ZBFHGGJFSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000878619343 1137722629 /nfs/dbraw/zinc/72/26/29/1137722629.db2.gz WXSQCGTZLAKWJF-ZBFHGGJFSA-N 1 2 346.519 3.906 20 0 EHADLO c1ccc([C@H]2[N@H+](Cc3nc4c(o3)CCCC4)CC23CCOCC3)cc1 ZINC000878710139 1137725782 /nfs/dbraw/zinc/72/57/82/1137725782.db2.gz DDEFYTCMCJOZFK-HXUWFJFHSA-N 1 2 338.451 3.907 20 0 EHADLO c1ccc([C@H]2[N@@H+](Cc3nc4c(o3)CCCC4)CC23CCOCC3)cc1 ZINC000878710139 1137725783 /nfs/dbraw/zinc/72/57/83/1137725783.db2.gz DDEFYTCMCJOZFK-HXUWFJFHSA-N 1 2 338.451 3.907 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2coc(C3CC3)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000878719121 1137726119 /nfs/dbraw/zinc/72/61/19/1137726119.db2.gz RGUNHDPFEMDAGG-IYARVYRRSA-N 1 2 342.439 3.563 20 0 EHADLO Oc1cccc(C[N@H+](Cc2coc(C3CC3)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000878719121 1137726120 /nfs/dbraw/zinc/72/61/20/1137726120.db2.gz RGUNHDPFEMDAGG-IYARVYRRSA-N 1 2 342.439 3.563 20 0 EHADLO CC1(C)CCC[C@@H](C[N@@H+]2CCc3nccc(Br)c3C2)O1 ZINC000878767881 1137727582 /nfs/dbraw/zinc/72/75/82/1137727582.db2.gz QHPJSNISJUUDDK-LBPRGKRZSA-N 1 2 339.277 3.550 20 0 EHADLO CC1(C)CCC[C@@H](C[N@H+]2CCc3nccc(Br)c3C2)O1 ZINC000878767881 1137727583 /nfs/dbraw/zinc/72/75/83/1137727583.db2.gz QHPJSNISJUUDDK-LBPRGKRZSA-N 1 2 339.277 3.550 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CC=CC1 ZINC000878767910 1137727621 /nfs/dbraw/zinc/72/76/21/1137727621.db2.gz RNIGBVBHKFKGMO-HXUWFJFHSA-N 1 2 338.451 3.713 20 0 EHADLO CC[C@H]1C[N@H+](Cc2coc(-c3ccccc3OC)n2)[C@@H](CC)CO1 ZINC000878804070 1137728746 /nfs/dbraw/zinc/72/87/46/1137728746.db2.gz OYXMDMJIAOMNEN-HOTGVXAUSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccccc3OC)n2)[C@@H](CC)CO1 ZINC000878804070 1137728747 /nfs/dbraw/zinc/72/87/47/1137728747.db2.gz OYXMDMJIAOMNEN-HOTGVXAUSA-N 1 2 330.428 3.740 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878814077 1137728917 /nfs/dbraw/zinc/72/89/17/1137728917.db2.gz WSPNSDDNPALEGA-GXTWGEPZSA-N 1 2 349.299 3.651 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878814077 1137728918 /nfs/dbraw/zinc/72/89/18/1137728918.db2.gz WSPNSDDNPALEGA-GXTWGEPZSA-N 1 2 349.299 3.651 20 0 EHADLO Cl/C=C(/Cl)C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000878863561 1137730377 /nfs/dbraw/zinc/73/03/77/1137730377.db2.gz YPMSJKFIUJMTNC-GXDHUFHOSA-N 1 2 337.254 3.970 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878976958 1137734004 /nfs/dbraw/zinc/73/40/04/1137734004.db2.gz XYXZKOCULXRQQZ-MRXNPFEDSA-N 1 2 342.468 3.587 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878976958 1137734005 /nfs/dbraw/zinc/73/40/05/1137734005.db2.gz XYXZKOCULXRQQZ-MRXNPFEDSA-N 1 2 342.468 3.587 20 0 EHADLO O=C(NC[C@@H]1C=CCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879033171 1137736067 /nfs/dbraw/zinc/73/60/67/1137736067.db2.gz JCBFVJZQAUKUCJ-OAHLLOKOSA-N 1 2 334.423 3.690 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127559161 1137739796 /nfs/dbraw/zinc/73/97/96/1137739796.db2.gz QPWUHZPSBRUYJK-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127559161 1137739797 /nfs/dbraw/zinc/73/97/97/1137739797.db2.gz QPWUHZPSBRUYJK-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO COc1cc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)ccn1 ZINC000879159475 1137739845 /nfs/dbraw/zinc/73/98/45/1137739845.db2.gz WMXTTZKRVBPXHR-UHFFFAOYSA-N 1 2 331.803 3.910 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000879214997 1137741343 /nfs/dbraw/zinc/74/13/43/1137741343.db2.gz XVQKQGORQVWZNF-MRXNPFEDSA-N 1 2 329.831 3.957 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000879214997 1137741344 /nfs/dbraw/zinc/74/13/44/1137741344.db2.gz XVQKQGORQVWZNF-MRXNPFEDSA-N 1 2 329.831 3.957 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccnn2C)oc1-c1ccc(Cl)cc1 ZINC000879684832 1137755438 /nfs/dbraw/zinc/75/54/38/1137755438.db2.gz PVLCCZYIXZMRNJ-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000879782033 1137758652 /nfs/dbraw/zinc/75/86/52/1137758652.db2.gz NRTRRCGTADWOLG-QZTJIDSGSA-N 1 2 337.467 3.636 20 0 EHADLO COCC1([N@H+](C)Cc2noc(-c3c(F)cccc3Cl)n2)CCC1 ZINC000880185039 1137770348 /nfs/dbraw/zinc/77/03/48/1137770348.db2.gz CPPIJSKDFMRXFO-UHFFFAOYSA-N 1 2 339.798 3.530 20 0 EHADLO COCC1([N@@H+](C)Cc2noc(-c3c(F)cccc3Cl)n2)CCC1 ZINC000880185039 1137770349 /nfs/dbraw/zinc/77/03/49/1137770349.db2.gz CPPIJSKDFMRXFO-UHFFFAOYSA-N 1 2 339.798 3.530 20 0 EHADLO COCCc1nc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880286927 1137773367 /nfs/dbraw/zinc/77/33/67/1137773367.db2.gz IBKCNLTYSVQAAC-CQSZACIVSA-N 1 2 349.862 3.680 20 0 EHADLO COCCc1nc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880286927 1137773368 /nfs/dbraw/zinc/77/33/68/1137773368.db2.gz IBKCNLTYSVQAAC-CQSZACIVSA-N 1 2 349.862 3.680 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000880371484 1137776862 /nfs/dbraw/zinc/77/68/62/1137776862.db2.gz IYJXWVASDRQBOJ-SFHVURJKSA-N 1 2 329.831 3.685 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000880371484 1137776863 /nfs/dbraw/zinc/77/68/63/1137776863.db2.gz IYJXWVASDRQBOJ-SFHVURJKSA-N 1 2 329.831 3.685 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000880375743 1137777055 /nfs/dbraw/zinc/77/70/55/1137777055.db2.gz KAKFSAUVGCHGNU-LLVKDONJSA-N 1 2 327.409 3.623 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000880375743 1137777056 /nfs/dbraw/zinc/77/70/56/1137777056.db2.gz KAKFSAUVGCHGNU-LLVKDONJSA-N 1 2 327.409 3.623 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCCC(F)(F)F ZINC000880390445 1137777706 /nfs/dbraw/zinc/77/77/06/1137777706.db2.gz ROTBCHYIJBGERE-HNNXBMFYSA-N 1 2 335.341 3.622 20 0 EHADLO c1c(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)nnn1Cc1ccccc1 ZINC000880535713 1137780770 /nfs/dbraw/zinc/78/07/70/1137780770.db2.gz FYKZGKDSJMVNLI-UWJYYQICSA-N 1 2 330.435 3.761 20 0 EHADLO c1c(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)nnn1Cc1ccccc1 ZINC000880535713 1137780771 /nfs/dbraw/zinc/78/07/71/1137780771.db2.gz FYKZGKDSJMVNLI-UWJYYQICSA-N 1 2 330.435 3.761 20 0 EHADLO CC[C@@H](C(=O)N(CC1CCC1)c1ccccc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137158619 1137785191 /nfs/dbraw/zinc/78/51/91/1137785191.db2.gz ARPPDGSNPFMDST-PMACEKPBSA-N 1 2 344.499 3.709 20 0 EHADLO CC[C@@H](C(=O)N(CC1CCC1)c1ccccc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001137158619 1137785192 /nfs/dbraw/zinc/78/51/92/1137785192.db2.gz ARPPDGSNPFMDST-PMACEKPBSA-N 1 2 344.499 3.709 20 0 EHADLO CCCc1noc(C[N@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134278 1137791070 /nfs/dbraw/zinc/79/10/70/1137791070.db2.gz DHTBSGQAFLUEGA-WMLDXEAASA-N 1 2 329.444 3.547 20 0 EHADLO CCCc1noc(C[N@@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134278 1137791071 /nfs/dbraw/zinc/79/10/71/1137791071.db2.gz DHTBSGQAFLUEGA-WMLDXEAASA-N 1 2 329.444 3.547 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(N3CCCC3)c2)c[nH+]1 ZINC000881001057 1137797037 /nfs/dbraw/zinc/79/70/37/1137797037.db2.gz LHJVUTWKPYLJDC-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO C[C@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129016385 1137807595 /nfs/dbraw/zinc/80/75/95/1137807595.db2.gz ALMAACJSJLLHKY-WMLDXEAASA-N 1 2 329.419 3.517 20 0 EHADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129016385 1137807596 /nfs/dbraw/zinc/80/75/96/1137807596.db2.gz ALMAACJSJLLHKY-WMLDXEAASA-N 1 2 329.419 3.517 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000881556871 1137809810 /nfs/dbraw/zinc/80/98/10/1137809810.db2.gz VDTAMRHHNZEXHP-GOSISDBHSA-N 1 2 341.455 3.673 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904083 1137820062 /nfs/dbraw/zinc/82/00/62/1137820062.db2.gz HPIVMOLQDBCXIR-BPQIPLTHSA-N 1 2 325.456 3.821 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904083 1137820063 /nfs/dbraw/zinc/82/00/63/1137820063.db2.gz HPIVMOLQDBCXIR-BPQIPLTHSA-N 1 2 325.456 3.821 20 0 EHADLO O=C(Nc1ccc(O)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000129556009 1137824642 /nfs/dbraw/zinc/82/46/42/1137824642.db2.gz BPINVAUKUURQAY-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000882569950 1137829521 /nfs/dbraw/zinc/82/95/21/1137829521.db2.gz SAXBGRLVXPTBSU-SMDDNHRTSA-N 1 2 341.308 3.657 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000130989533 1137844588 /nfs/dbraw/zinc/84/45/88/1137844588.db2.gz SQQNJTHRPHCDFX-MRXNPFEDSA-N 1 2 348.541 3.556 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000130989533 1137844589 /nfs/dbraw/zinc/84/45/89/1137844589.db2.gz SQQNJTHRPHCDFX-MRXNPFEDSA-N 1 2 348.541 3.556 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCCC2)cs1 ZINC000626158532 1137845085 /nfs/dbraw/zinc/84/50/85/1137845085.db2.gz UMBPOXMDRQMTGD-MRXNPFEDSA-N 1 2 335.517 3.681 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C2CCCCC2)cs1 ZINC000626158532 1137845086 /nfs/dbraw/zinc/84/50/86/1137845086.db2.gz UMBPOXMDRQMTGD-MRXNPFEDSA-N 1 2 335.517 3.681 20 0 EHADLO CCn1cc(C[NH2+]Cc2nccc(C(F)F)n2)c(-c2ccccc2)n1 ZINC000883120986 1137845375 /nfs/dbraw/zinc/84/53/75/1137845375.db2.gz STSYHSNWBXYCME-UHFFFAOYSA-N 1 2 343.381 3.587 20 0 EHADLO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1sccc1Cl ZINC000883180749 1137847461 /nfs/dbraw/zinc/84/74/61/1137847461.db2.gz JMTLRPLNPZRNEJ-ZDUSSCGKSA-N 1 2 333.848 3.618 20 0 EHADLO COCc1cc[nH+]c(N[C@H](c2ccc(F)cc2)C2CCOCC2)c1 ZINC000883233167 1137849766 /nfs/dbraw/zinc/84/97/66/1137849766.db2.gz BFYAZJCFQXYQQW-LJQANCHMSA-N 1 2 330.403 3.947 20 0 EHADLO CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1sccc1Cl ZINC000883240201 1137849917 /nfs/dbraw/zinc/84/99/17/1137849917.db2.gz KSRUXCMMLRUUED-LBPRGKRZSA-N 1 2 349.891 3.699 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000883257627 1137850886 /nfs/dbraw/zinc/85/08/86/1137850886.db2.gz GXCUSNDTLMOGCF-UHFFFAOYSA-N 1 2 348.450 3.752 20 0 EHADLO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000883329063 1137855368 /nfs/dbraw/zinc/85/53/68/1137855368.db2.gz CQOKFFLUHXODNW-CQSZACIVSA-N 1 2 342.370 3.979 20 0 EHADLO COc1nsc(CNc2c[nH+]c(C)c(C)c2)c1Br ZINC000883341013 1137855922 /nfs/dbraw/zinc/85/59/22/1137855922.db2.gz GBKNQWLAVTYBDC-UHFFFAOYSA-N 1 2 328.235 3.538 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000132343787 1137865394 /nfs/dbraw/zinc/86/53/94/1137865394.db2.gz JENOLRQVHREBCJ-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000132343787 1137865395 /nfs/dbraw/zinc/86/53/95/1137865395.db2.gz JENOLRQVHREBCJ-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC2(CC2)CC1 ZINC000883650448 1137866213 /nfs/dbraw/zinc/86/62/13/1137866213.db2.gz DOYNYVBXMDMOGQ-SFHVURJKSA-N 1 2 338.455 3.646 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2cc(CSCCO)cc[nH+]2)cc1 ZINC000132851486 1137870588 /nfs/dbraw/zinc/87/05/88/1137870588.db2.gz KMPUFGGUNINCDL-HNNXBMFYSA-N 1 2 346.496 3.749 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)o2)c(C)o1 ZINC000348249142 1137877720 /nfs/dbraw/zinc/87/77/20/1137877720.db2.gz QONJCONBURSBMB-BXKDBHETSA-N 1 2 329.322 3.719 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)o2)c(C)o1 ZINC000348249142 1137877721 /nfs/dbraw/zinc/87/77/21/1137877721.db2.gz QONJCONBURSBMB-BXKDBHETSA-N 1 2 329.322 3.719 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](CCCCCn2cccn2)CCO1 ZINC000104695229 1137879120 /nfs/dbraw/zinc/87/91/20/1137879120.db2.gz CGECASGERCACKX-SFHVURJKSA-N 1 2 333.863 3.780 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](CCCCCn2cccn2)CCO1 ZINC000104695229 1137879121 /nfs/dbraw/zinc/87/91/21/1137879121.db2.gz CGECASGERCACKX-SFHVURJKSA-N 1 2 333.863 3.780 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000331388101 1137892738 /nfs/dbraw/zinc/89/27/38/1137892738.db2.gz LFGOUECHOOHTDX-QGZVFWFLSA-N 1 2 325.412 3.612 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000109939399 1137898389 /nfs/dbraw/zinc/89/83/89/1137898389.db2.gz UNDBGNRJPDLSPS-UHFFFAOYSA-N 1 2 343.452 3.584 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069334 1137899068 /nfs/dbraw/zinc/89/90/68/1137899068.db2.gz OROYGCSENRIWAJ-JKSUJKDBSA-N 1 2 342.443 3.662 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(CC)cc2)cs1 ZINC000111375873 1137904386 /nfs/dbraw/zinc/90/43/86/1137904386.db2.gz NBXYXISQKQGIEW-QWHCGFSZSA-N 1 2 331.485 3.946 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000111377034 1137904493 /nfs/dbraw/zinc/90/44/93/1137904493.db2.gz BOHJWVCUSPQFSC-QWHCGFSZSA-N 1 2 347.484 3.782 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)s1 ZINC000331425874 1137907919 /nfs/dbraw/zinc/90/79/19/1137907919.db2.gz RWYFKQKVNODSDN-SNVBAGLBSA-N 1 2 338.864 3.775 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)s1 ZINC000331425874 1137907920 /nfs/dbraw/zinc/90/79/20/1137907920.db2.gz RWYFKQKVNODSDN-SNVBAGLBSA-N 1 2 338.864 3.775 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1OC ZINC000112531285 1137908474 /nfs/dbraw/zinc/90/84/74/1137908474.db2.gz FZDQVEGMAPPVPG-CHWSQXEVSA-N 1 2 333.432 3.977 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)o1 ZINC000112532479 1137908493 /nfs/dbraw/zinc/90/84/93/1137908493.db2.gz KOFMAPNCUJNSPT-UONOGXRCSA-N 1 2 338.411 3.764 20 0 EHADLO Cc1ccc2c(Nc3c(F)cc(S(C)(=O)=O)cc3F)cccc2[nH+]1 ZINC001212798507 1137909891 /nfs/dbraw/zinc/90/98/91/1137909891.db2.gz JITDZINYUMYONR-UHFFFAOYSA-N 1 2 348.374 3.969 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(C)[nH+]1 ZINC000331897213 1137924885 /nfs/dbraw/zinc/92/48/85/1137924885.db2.gz RVDYFPBPHDZIPR-KRWDZBQOSA-N 1 2 343.402 3.751 20 0 EHADLO CCc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1CC ZINC000332308550 1137939333 /nfs/dbraw/zinc/93/93/33/1137939333.db2.gz NIXGSDNXEXZETO-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO CCc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1CC ZINC000332308550 1137939334 /nfs/dbraw/zinc/93/93/34/1137939334.db2.gz NIXGSDNXEXZETO-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)c1C ZINC001202711752 1137940133 /nfs/dbraw/zinc/94/01/33/1137940133.db2.gz RMGZMHQCSDMMMK-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO CCCCC1CCC(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000332411223 1137943113 /nfs/dbraw/zinc/94/31/13/1137943113.db2.gz RGUPXVFQKASTCJ-HTPOPCQBSA-N 1 2 347.503 3.753 20 0 EHADLO Cc1c(F)c(F)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000332414860 1137943259 /nfs/dbraw/zinc/94/32/59/1137943259.db2.gz LRBAZRNNWWKZNS-ABAIWWIYSA-N 1 2 334.370 3.585 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC000333184106 1137957533 /nfs/dbraw/zinc/95/75/33/1137957533.db2.gz SNPQVAHIIOKYLY-CQSZACIVSA-N 1 2 344.484 3.554 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000333237626 1137959107 /nfs/dbraw/zinc/95/91/07/1137959107.db2.gz VVQXWVRKNXZEMS-UGSOOPFHSA-N 1 2 337.427 3.788 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1sccc1SC(F)F ZINC000136207357 1138021113 /nfs/dbraw/zinc/02/11/13/1138021113.db2.gz GWOWJHKSZLGVEP-UHFFFAOYSA-N 1 2 343.424 3.690 20 0 EHADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000053815902 1138047966 /nfs/dbraw/zinc/04/79/66/1138047966.db2.gz RHBZEAJJZPZQML-HNNXBMFYSA-N 1 2 349.887 3.516 20 0 EHADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000053815902 1138047969 /nfs/dbraw/zinc/04/79/69/1138047969.db2.gz RHBZEAJJZPZQML-HNNXBMFYSA-N 1 2 349.887 3.516 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000886176486 1138055990 /nfs/dbraw/zinc/05/59/90/1138055990.db2.gz DBSQDDRWDZNMOA-UHFFFAOYSA-N 1 2 332.831 3.980 20 0 EHADLO Cc1cccn2c(CNc3cccc([C@@H]4CCCC(=O)N4)c3)c[nH+]c12 ZINC000886373075 1138071957 /nfs/dbraw/zinc/07/19/57/1138071957.db2.gz KFEFUTUUKKQGGV-SFHVURJKSA-N 1 2 334.423 3.596 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000066563879 1138076101 /nfs/dbraw/zinc/07/61/01/1138076101.db2.gz UXXVTCZZYJEVSE-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000066563879 1138076103 /nfs/dbraw/zinc/07/61/03/1138076103.db2.gz UXXVTCZZYJEVSE-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000886542903 1138093920 /nfs/dbraw/zinc/09/39/20/1138093920.db2.gz HQTCXONIMJIWSU-BEFAXECRSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000886542903 1138093922 /nfs/dbraw/zinc/09/39/22/1138093922.db2.gz HQTCXONIMJIWSU-BEFAXECRSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072630923 1138106690 /nfs/dbraw/zinc/10/66/90/1138106690.db2.gz RELZBDVBBUUZCR-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072630923 1138106692 /nfs/dbraw/zinc/10/66/92/1138106692.db2.gz RELZBDVBBUUZCR-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000072662749 1138106986 /nfs/dbraw/zinc/10/69/86/1138106986.db2.gz WNKYSUCWSSLSQC-UHFFFAOYSA-N 1 2 343.374 3.625 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000886651797 1138107610 /nfs/dbraw/zinc/10/76/10/1138107610.db2.gz RLNKOHHTWJRGCW-JBBXEZCESA-N 1 2 328.387 3.544 20 0 EHADLO CC(C)c1noc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000072960590 1138109491 /nfs/dbraw/zinc/10/94/91/1138109491.db2.gz FOOPXYNCQHVGNE-UHFFFAOYSA-N 1 2 343.427 3.523 20 0 EHADLO Cc1cccc2c1CC[C@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886712373 1138123026 /nfs/dbraw/zinc/12/30/26/1138123026.db2.gz BVSKJWZYQACNBV-GOSISDBHSA-N 1 2 337.398 3.885 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000886719856 1138125132 /nfs/dbraw/zinc/12/51/32/1138125132.db2.gz JQIZNXUOXQQOLB-UHFFFAOYSA-N 1 2 334.441 3.567 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075969453 1138129359 /nfs/dbraw/zinc/12/93/59/1138129359.db2.gz BRWCHICVBLAVBD-ZDUSSCGKSA-N 1 2 328.378 3.905 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)c4nnc(C)o4)CC3)c2c1 ZINC000079881346 1138159357 /nfs/dbraw/zinc/15/93/57/1138159357.db2.gz SGCWYOYYUBKSPZ-GFCCVEGCSA-N 1 2 338.411 3.718 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)c4nnc(C)o4)CC3)c2c1 ZINC000079881346 1138159358 /nfs/dbraw/zinc/15/93/58/1138159358.db2.gz SGCWYOYYUBKSPZ-GFCCVEGCSA-N 1 2 338.411 3.718 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080915185 1138164707 /nfs/dbraw/zinc/16/47/07/1138164707.db2.gz ZBYRCDBBGPLVRQ-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080915185 1138164710 /nfs/dbraw/zinc/16/47/10/1138164710.db2.gz ZBYRCDBBGPLVRQ-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)cc1O ZINC000080963211 1138165099 /nfs/dbraw/zinc/16/50/99/1138165099.db2.gz ZHZVIBJKDXEMOE-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)cc1O ZINC000080963211 1138165100 /nfs/dbraw/zinc/16/51/00/1138165100.db2.gz ZHZVIBJKDXEMOE-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)Cc1cccc(F)c1 ZINC000081354718 1138168320 /nfs/dbraw/zinc/16/83/20/1138168320.db2.gz SUKREGZHFLKUSE-INIZCTEOSA-N 1 2 343.446 3.798 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1nnnn1C1CCCCC1 ZINC000886927405 1138173125 /nfs/dbraw/zinc/17/31/25/1138173125.db2.gz FHCVBNHDJIJJQQ-SJKOYZFVSA-N 1 2 329.423 3.656 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)on1 ZINC000084138256 1138177699 /nfs/dbraw/zinc/17/76/99/1138177699.db2.gz TWNYVYPMHNZNNG-UHFFFAOYSA-N 1 2 347.381 3.575 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)on1 ZINC000084138256 1138177700 /nfs/dbraw/zinc/17/77/00/1138177700.db2.gz TWNYVYPMHNZNNG-UHFFFAOYSA-N 1 2 347.381 3.575 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137231839 1138180232 /nfs/dbraw/zinc/18/02/32/1138180232.db2.gz UYJJTEREDOTAST-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137231839 1138180234 /nfs/dbraw/zinc/18/02/34/1138180234.db2.gz UYJJTEREDOTAST-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CCc1nc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cs1 ZINC000089802558 1138205616 /nfs/dbraw/zinc/20/56/16/1138205616.db2.gz ZQKXXJLPJTWTSP-UHFFFAOYSA-N 1 2 338.423 3.779 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091703355 1138220582 /nfs/dbraw/zinc/22/05/82/1138220582.db2.gz YDCXHULIDLHJQE-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091703355 1138220584 /nfs/dbraw/zinc/22/05/84/1138220584.db2.gz YDCXHULIDLHJQE-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO COc1cccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000092918886 1138232781 /nfs/dbraw/zinc/23/27/81/1138232781.db2.gz DLNDQYXIZVJLHH-UHFFFAOYSA-N 1 2 337.301 3.538 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000093417346 1138237721 /nfs/dbraw/zinc/23/77/21/1138237721.db2.gz NMKIEAZZISWYJP-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000093417346 1138237725 /nfs/dbraw/zinc/23/77/25/1138237725.db2.gz NMKIEAZZISWYJP-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1F ZINC000093713133 1138240021 /nfs/dbraw/zinc/24/00/21/1138240021.db2.gz AHRCNBGOKBFGPV-OAQYLSRUSA-N 1 2 325.836 3.849 20 0 EHADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1F ZINC000093713133 1138240022 /nfs/dbraw/zinc/24/00/22/1138240022.db2.gz AHRCNBGOKBFGPV-OAQYLSRUSA-N 1 2 325.836 3.849 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@@H](C)O[C@H](c4ccsc4)C3)n2c1 ZINC000093769163 1138240847 /nfs/dbraw/zinc/24/08/47/1138240847.db2.gz DORMOFSFRWUMOT-PBHICJAKSA-N 1 2 327.453 3.666 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122418742 1138257984 /nfs/dbraw/zinc/25/79/84/1138257984.db2.gz FQLXJYYAYULPER-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122418742 1138257986 /nfs/dbraw/zinc/25/79/86/1138257986.db2.gz FQLXJYYAYULPER-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO CCCOc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)c(C)c1 ZINC000122596683 1138259915 /nfs/dbraw/zinc/25/99/15/1138259915.db2.gz BYTGYLKSXHFCHC-UHFFFAOYSA-N 1 2 330.432 3.534 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123572473 1138271730 /nfs/dbraw/zinc/27/17/30/1138271730.db2.gz CUFXUGUVYGTPJJ-SJLPKXTDSA-N 1 2 325.456 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123587904 1138271906 /nfs/dbraw/zinc/27/19/06/1138271906.db2.gz PTDIVZKNHNUHCA-IUODEOHRSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124521383 1138288467 /nfs/dbraw/zinc/28/84/67/1138288467.db2.gz BYKFQZXMSJDBLT-QAPCUYQASA-N 1 2 341.430 3.554 20 0 EHADLO CCc1nnc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)o1 ZINC000124562139 1138289555 /nfs/dbraw/zinc/28/95/55/1138289555.db2.gz ZULUKLSCEPCXBJ-UHFFFAOYSA-N 1 2 334.423 3.859 20 0 EHADLO CCc1nnc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)o1 ZINC000124562139 1138289557 /nfs/dbraw/zinc/28/95/57/1138289557.db2.gz ZULUKLSCEPCXBJ-UHFFFAOYSA-N 1 2 334.423 3.859 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1cccnc1 ZINC000124676482 1138292057 /nfs/dbraw/zinc/29/20/57/1138292057.db2.gz ATMUQWUGGQYATI-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000124676482 1138292059 /nfs/dbraw/zinc/29/20/59/1138292059.db2.gz ATMUQWUGGQYATI-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126387753 1138330045 /nfs/dbraw/zinc/33/00/45/1138330045.db2.gz XKXAAHBCESAJDO-CMFPSAGXSA-N 1 2 329.831 3.659 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000127254033 1138351026 /nfs/dbraw/zinc/35/10/26/1138351026.db2.gz QOOSIGDPMCJCGR-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000127494714 1138359770 /nfs/dbraw/zinc/35/97/70/1138359770.db2.gz KBHMOHSQLPUAHY-MRXNPFEDSA-N 1 2 332.451 3.949 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000127494714 1138359772 /nfs/dbraw/zinc/35/97/72/1138359772.db2.gz KBHMOHSQLPUAHY-MRXNPFEDSA-N 1 2 332.451 3.949 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc(Cl)cc1Cl ZINC000263805066 1138370837 /nfs/dbraw/zinc/37/08/37/1138370837.db2.gz UWILBWRQSWJFIQ-UHFFFAOYSA-N 1 2 339.226 3.848 20 0 EHADLO CSc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000127899675 1138374656 /nfs/dbraw/zinc/37/46/56/1138374656.db2.gz DTVYUNNTOKCURS-CZUORRHYSA-N 1 2 330.457 3.720 20 0 EHADLO CCCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000128184636 1138382350 /nfs/dbraw/zinc/38/23/50/1138382350.db2.gz FGNJWRXCDGTFPB-YJBOKZPZSA-N 1 2 342.443 3.787 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263945272 1138396132 /nfs/dbraw/zinc/39/61/32/1138396132.db2.gz LTZNQCSZZNGWCM-ZDUSSCGKSA-N 1 2 325.437 3.573 20 0 EHADLO N#CCC[N@@H+](CCc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000091589531 1138421215 /nfs/dbraw/zinc/42/12/15/1138421215.db2.gz KGGHRIWSWJCYGH-UHFFFAOYSA-N 1 2 349.356 3.939 20 0 EHADLO N#CCC[N@H+](CCc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000091589531 1138421217 /nfs/dbraw/zinc/42/12/17/1138421217.db2.gz KGGHRIWSWJCYGH-UHFFFAOYSA-N 1 2 349.356 3.939 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336931945 1138429898 /nfs/dbraw/zinc/42/98/98/1138429898.db2.gz CBJFKKZZKFYLHG-DOTOQJQBSA-N 1 2 344.434 3.779 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000264172609 1138433808 /nfs/dbraw/zinc/43/38/08/1138433808.db2.gz ZLUJKOGAOPPDEE-INIZCTEOSA-N 1 2 328.460 3.530 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000130138548 1138437586 /nfs/dbraw/zinc/43/75/86/1138437586.db2.gz ULFFYQNGCXLCQM-MRXNPFEDSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000130138548 1138437588 /nfs/dbraw/zinc/43/75/88/1138437588.db2.gz ULFFYQNGCXLCQM-MRXNPFEDSA-N 1 2 326.375 3.854 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264247679 1138453547 /nfs/dbraw/zinc/45/35/47/1138453547.db2.gz OPJOKORANTZLLN-MRXNPFEDSA-N 1 2 333.476 3.590 20 0 EHADLO CCCc1occc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337053233 1138456779 /nfs/dbraw/zinc/45/67/79/1138456779.db2.gz PUHLRYCSTJAJSG-UHFFFAOYSA-N 1 2 329.444 3.761 20 0 EHADLO CCCCN(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264261364 1138457642 /nfs/dbraw/zinc/45/76/42/1138457642.db2.gz RNXBRADDZRKHGE-INIZCTEOSA-N 1 2 333.476 3.734 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337139263 1138476905 /nfs/dbraw/zinc/47/69/05/1138476905.db2.gz RSHCPMQEHLUBNR-IAGOWNOFSA-N 1 2 331.504 3.998 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000130829243 1138479126 /nfs/dbraw/zinc/47/91/26/1138479126.db2.gz BEUKQONMHMNELH-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000130829243 1138479128 /nfs/dbraw/zinc/47/91/28/1138479128.db2.gz BEUKQONMHMNELH-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO Cc1sccc1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337150999 1138480065 /nfs/dbraw/zinc/48/00/65/1138480065.db2.gz LJXHOHHHGUIRJG-INIZCTEOSA-N 1 2 343.496 3.538 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000337256348 1138510756 /nfs/dbraw/zinc/51/07/56/1138510756.db2.gz NHVFXGDVJVJUOL-UHFFFAOYSA-N 1 2 339.391 3.860 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000337256348 1138510760 /nfs/dbraw/zinc/51/07/60/1138510760.db2.gz NHVFXGDVJVJUOL-UHFFFAOYSA-N 1 2 339.391 3.860 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1nnc2n1CCCCC2 ZINC000264569410 1138562035 /nfs/dbraw/zinc/56/20/35/1138562035.db2.gz SMQWMSTXONZPCE-BMFZPTHFSA-N 1 2 328.460 3.962 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ncsc2C2CC2)[nH+]1 ZINC000887625911 1138569960 /nfs/dbraw/zinc/56/99/60/1138569960.db2.gz IBGWBPVKGRICTG-UHFFFAOYSA-N 1 2 346.452 3.530 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)Cc1cccnc1 ZINC000132551995 1138588368 /nfs/dbraw/zinc/58/83/68/1138588368.db2.gz YHLAVYHHEROLHO-DLBZAZTESA-N 1 2 347.462 3.933 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)Cc1cccnc1 ZINC000132551995 1138588369 /nfs/dbraw/zinc/58/83/69/1138588369.db2.gz YHLAVYHHEROLHO-DLBZAZTESA-N 1 2 347.462 3.933 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264690120 1138605748 /nfs/dbraw/zinc/60/57/48/1138605748.db2.gz CVOPGFYZNDRDTG-HUUCEWRRSA-N 1 2 342.443 3.999 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264690113 1138606020 /nfs/dbraw/zinc/60/60/20/1138606020.db2.gz CVOPGFYZNDRDTG-CABCVRRESA-N 1 2 342.443 3.999 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000264704112 1138611482 /nfs/dbraw/zinc/61/14/82/1138611482.db2.gz KLKFAGYGXKADHO-NWDGAFQWSA-N 1 2 348.415 3.759 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000264704112 1138611484 /nfs/dbraw/zinc/61/14/84/1138611484.db2.gz KLKFAGYGXKADHO-NWDGAFQWSA-N 1 2 348.415 3.759 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264711797 1138614315 /nfs/dbraw/zinc/61/43/15/1138614315.db2.gz JLUCOYKWXJGYLE-LLVKDONJSA-N 1 2 338.333 3.840 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337591385 1138615352 /nfs/dbraw/zinc/61/53/52/1138615352.db2.gz MYHDOZSTQKNCOS-INIZCTEOSA-N 1 2 334.341 3.550 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000337593998 1138615841 /nfs/dbraw/zinc/61/58/41/1138615841.db2.gz OBPQNSJAODNNIM-SFHVURJKSA-N 1 2 344.455 3.643 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1Cl ZINC000337610011 1138620351 /nfs/dbraw/zinc/62/03/51/1138620351.db2.gz XPGPLBACKNICDA-INIZCTEOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1cc(Cl)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000337610573 1138620361 /nfs/dbraw/zinc/62/03/61/1138620361.db2.gz YBFZHELCLHZXRM-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264777776 1138636497 /nfs/dbraw/zinc/63/64/97/1138636497.db2.gz XYXYKPGGYUSRGZ-CQSZACIVSA-N 1 2 328.416 3.608 20 0 EHADLO Cc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c(Cl)n1 ZINC001212834755 1138648020 /nfs/dbraw/zinc/64/80/20/1138648020.db2.gz XEVQGBHHENFJTC-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO O=C(C[C@H]1CCc2ccccc2C1)NCCCCNc1cccc[nH+]1 ZINC000264937217 1138680441 /nfs/dbraw/zinc/68/04/41/1138680441.db2.gz QZEQVSHKZDGSHW-KRWDZBQOSA-N 1 2 337.467 3.585 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000337937626 1138701746 /nfs/dbraw/zinc/70/17/46/1138701746.db2.gz HEBYXYVHOOSFLA-RNCFNFMXSA-N 1 2 334.210 3.638 20 0 EHADLO Cc1nc(-c2ccc([C@H](C)NC(=O)CCn3cc[nH+]c3)cc2)cs1 ZINC000338037302 1138730520 /nfs/dbraw/zinc/73/05/20/1138730520.db2.gz AGMLENWMPKOAGH-ZDUSSCGKSA-N 1 2 340.452 3.583 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1COCc1ccccc1 ZINC000338090274 1138747268 /nfs/dbraw/zinc/74/72/68/1138747268.db2.gz MXUXFZGVUFGAJC-UHFFFAOYSA-N 1 2 335.407 3.629 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc2c1OCO2 ZINC000338107641 1138753174 /nfs/dbraw/zinc/75/31/74/1138753174.db2.gz SPXCBQMMFMWMNU-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2(C3CC3)CCC2)c1)[NH+]1CCOCC1 ZINC000887749781 1138779895 /nfs/dbraw/zinc/77/98/95/1138779895.db2.gz QIWLDWCBQLXDDF-HNNXBMFYSA-N 1 2 343.471 3.534 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C)C2)cs1)c1ccccc1F ZINC000338253551 1138802408 /nfs/dbraw/zinc/80/24/08/1138802408.db2.gz CDUXPYALRWPMAX-GFCCVEGCSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C)C2)cs1)c1ccccc1F ZINC000338253551 1138802412 /nfs/dbraw/zinc/80/24/12/1138802412.db2.gz CDUXPYALRWPMAX-GFCCVEGCSA-N 1 2 333.432 3.809 20 0 EHADLO CSc1ccccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338260110 1138804899 /nfs/dbraw/zinc/80/48/99/1138804899.db2.gz FHEOFNQZLJMBDE-MRXNPFEDSA-N 1 2 346.883 3.849 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1 ZINC000338280289 1138813640 /nfs/dbraw/zinc/81/36/40/1138813640.db2.gz LYJYFBIWQYQBLJ-VXGBXAGGSA-N 1 2 337.514 3.997 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338321361 1138832184 /nfs/dbraw/zinc/83/21/84/1138832184.db2.gz JFXDHYYALFIEEK-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C)cc1Cl ZINC000338332091 1138837810 /nfs/dbraw/zinc/83/78/10/1138837810.db2.gz QOSHVGLRCSDMMF-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C)cc1Cl ZINC000338332091 1138837818 /nfs/dbraw/zinc/83/78/18/1138837818.db2.gz QOSHVGLRCSDMMF-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000338433668 1138912793 /nfs/dbraw/zinc/91/27/93/1138912793.db2.gz BXBOZRFOKVVJOJ-HNNXBMFYSA-N 1 2 345.874 3.610 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000151535586 1139040790 /nfs/dbraw/zinc/04/07/90/1139040790.db2.gz HHHSRKNAWDZAJH-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000152630684 1139101546 /nfs/dbraw/zinc/10/15/46/1139101546.db2.gz JEVXSRLMHIDNLO-PBHICJAKSA-N 1 2 340.427 3.591 20 0 EHADLO c1nnc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n1-c1ccccc1 ZINC000152681568 1139103676 /nfs/dbraw/zinc/10/36/76/1139103676.db2.gz POXYLWLVHPQJFW-SFHVURJKSA-N 1 2 346.434 3.803 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)[nH]1 ZINC000153400034 1139134620 /nfs/dbraw/zinc/13/46/20/1139134620.db2.gz OGSGZSIXPYAECP-QGZVFWFLSA-N 1 2 331.847 3.707 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)[nH]1 ZINC000153400034 1139134625 /nfs/dbraw/zinc/13/46/25/1139134625.db2.gz OGSGZSIXPYAECP-QGZVFWFLSA-N 1 2 331.847 3.707 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC2(CCC2)CC1 ZINC000889547071 1139229821 /nfs/dbraw/zinc/22/98/21/1139229821.db2.gz DNBNHACARQZJOW-QAQDUYKDSA-N 1 2 342.487 3.780 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1csc2ccccc21 ZINC000826655657 1139253061 /nfs/dbraw/zinc/25/30/61/1139253061.db2.gz DHVDLBZDHICLND-MRVWCRGKSA-N 1 2 325.437 3.616 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](c3ncccc3C)C(C)(C)C)ccn12 ZINC000889887103 1139281192 /nfs/dbraw/zinc/28/11/92/1139281192.db2.gz NVIQNTFGINGMJS-SFHVURJKSA-N 1 2 336.439 3.863 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890269162 1139335254 /nfs/dbraw/zinc/33/52/54/1139335254.db2.gz WLGVZYNYERYODX-MSOLQXFVSA-N 1 2 326.444 3.599 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(F)c1 ZINC000174912623 1139450131 /nfs/dbraw/zinc/45/01/31/1139450131.db2.gz FNVKMTMDYUSYIF-UHFFFAOYSA-N 1 2 341.430 3.599 20 0 EHADLO CC(C)[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000176829592 1139580925 /nfs/dbraw/zinc/58/09/25/1139580925.db2.gz HNXVRGGHKLSUOO-WMLDXEAASA-N 1 2 333.863 3.729 20 0 EHADLO COc1c(C)ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000177587563 1139628033 /nfs/dbraw/zinc/62/80/33/1139628033.db2.gz PTXFTQSJNSFLCO-GUYCJALGSA-N 1 2 342.443 3.624 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](c2ccco2)C1 ZINC000177777130 1139641032 /nfs/dbraw/zinc/64/10/32/1139641032.db2.gz JCRROFHJZQGTRA-ZBFHGGJFSA-N 1 2 338.411 3.610 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000178096632 1139669331 /nfs/dbraw/zinc/66/93/31/1139669331.db2.gz PTFZQWIAZJSFST-UHFFFAOYSA-N 1 2 334.423 3.689 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(N2CCCCC2)cc1 ZINC000777334373 1139701239 /nfs/dbraw/zinc/70/12/39/1139701239.db2.gz VEESUTNMPUBLBX-UHFFFAOYSA-N 1 2 335.407 3.682 20 0 EHADLO Cc1cscc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000178632500 1139708140 /nfs/dbraw/zinc/70/81/40/1139708140.db2.gz BKSPUXLSUJONBT-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1C ZINC000179089612 1139734007 /nfs/dbraw/zinc/73/40/07/1139734007.db2.gz YXBQZTSYFBVHHI-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(C(C)(C)C)n1 ZINC000179618041 1139769880 /nfs/dbraw/zinc/76/98/80/1139769880.db2.gz RTWGNJQSNRWNRP-UHFFFAOYSA-N 1 2 337.471 3.535 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(C(C)(C)C)n1 ZINC000179618041 1139769887 /nfs/dbraw/zinc/76/98/87/1139769887.db2.gz RTWGNJQSNRWNRP-UHFFFAOYSA-N 1 2 337.471 3.535 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1C ZINC000179844068 1139787913 /nfs/dbraw/zinc/78/79/13/1139787913.db2.gz RPLVHSSCHVGYTI-HZPDHXFCSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)s1 ZINC000180538024 1139843121 /nfs/dbraw/zinc/84/31/21/1139843121.db2.gz XPAZSWDEBYNNSW-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)s1 ZINC000180538024 1139843130 /nfs/dbraw/zinc/84/31/30/1139843130.db2.gz XPAZSWDEBYNNSW-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2csc(CCC(C)C)n2)cc1 ZINC000182407512 1139970261 /nfs/dbraw/zinc/97/02/61/1139970261.db2.gz KZDXXQZGZMTPBN-GOSISDBHSA-N 1 2 348.512 3.954 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182808239 1139993542 /nfs/dbraw/zinc/99/35/42/1139993542.db2.gz JSJYOFSLGNBORN-CYBMUJFWSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182808239 1139993546 /nfs/dbraw/zinc/99/35/46/1139993546.db2.gz JSJYOFSLGNBORN-CYBMUJFWSA-N 1 2 341.381 3.516 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC1CCCC1)c1nccn1C ZINC000182963677 1140004199 /nfs/dbraw/zinc/00/41/99/1140004199.db2.gz IDTMJXLQEKZCIV-QGZVFWFLSA-N 1 2 343.471 3.991 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1noc(C2CCOCC2)n1)C(C)C ZINC000183233561 1140023041 /nfs/dbraw/zinc/02/30/41/1140023041.db2.gz VYRRBTNCULKLPA-GOSISDBHSA-N 1 2 329.444 3.759 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cnn(C)c3C)co2)cc1 ZINC000183470151 1140040085 /nfs/dbraw/zinc/04/00/85/1140040085.db2.gz PPGZUIWIGQIMAB-ZDUSSCGKSA-N 1 2 340.427 3.633 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccco1 ZINC000184201943 1140086913 /nfs/dbraw/zinc/08/69/13/1140086913.db2.gz UIHDTLBQOJDDLX-DOTOQJQBSA-N 1 2 330.428 3.610 20 0 EHADLO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)c1cnccn1 ZINC000184490937 1140105558 /nfs/dbraw/zinc/10/55/58/1140105558.db2.gz APBZFGXUXDFQDI-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)c1cnccn1 ZINC000184490937 1140105561 /nfs/dbraw/zinc/10/55/61/1140105561.db2.gz APBZFGXUXDFQDI-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000184629699 1140112052 /nfs/dbraw/zinc/11/20/52/1140112052.db2.gz SIEKOHGPQDDVJF-CQSZACIVSA-N 1 2 327.453 3.768 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cs1 ZINC000184745425 1140118739 /nfs/dbraw/zinc/11/87/39/1140118739.db2.gz PKEKPGHGIVGUCZ-CQSZACIVSA-N 1 2 345.512 3.942 20 0 EHADLO CSCc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184793495 1140120608 /nfs/dbraw/zinc/12/06/08/1140120608.db2.gz ZNSJBNSZKWKHTR-RHSMWYFYSA-N 1 2 344.484 3.861 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)o1 ZINC000184826696 1140121638 /nfs/dbraw/zinc/12/16/38/1140121638.db2.gz SGSLNEGBELGIHQ-QAPCUYQASA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)o1 ZINC000184826722 1140121695 /nfs/dbraw/zinc/12/16/95/1140121695.db2.gz MNHZTAFYVYSQAQ-SUMWQHHRSA-N 1 2 348.418 3.594 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000185227791 1140140585 /nfs/dbraw/zinc/14/05/85/1140140585.db2.gz GNLCNBRAIOHSAA-CYBMUJFWSA-N 1 2 333.432 3.798 20 0 EHADLO COc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185228776 1140140774 /nfs/dbraw/zinc/14/07/74/1140140774.db2.gz CVVNDBOWTRPDGO-AWEZNQCLSA-N 1 2 345.468 3.667 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@H](C)c2nc(C3CCCCC3)no2)c1C ZINC000185258192 1140141786 /nfs/dbraw/zinc/14/17/86/1140141786.db2.gz QASHTOJTGNRVHO-CQSZACIVSA-N 1 2 344.459 3.989 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000185616515 1140158936 /nfs/dbraw/zinc/15/89/36/1140158936.db2.gz JQGVVRCEQFLXSB-XYBNCVKDSA-N 1 2 331.460 3.674 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000185619945 1140159675 /nfs/dbraw/zinc/15/96/75/1140159675.db2.gz DGAJDYMJFJPKCV-QFBILLFUSA-N 1 2 340.471 3.628 20 0 EHADLO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1noc(C)n1 ZINC000185925864 1140177479 /nfs/dbraw/zinc/17/74/79/1140177479.db2.gz CDAVQDIHKWJQRT-CYBMUJFWSA-N 1 2 338.249 3.594 20 0 EHADLO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1noc(C)n1 ZINC000185925864 1140177482 /nfs/dbraw/zinc/17/74/82/1140177482.db2.gz CDAVQDIHKWJQRT-CYBMUJFWSA-N 1 2 338.249 3.594 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185996499 1140181663 /nfs/dbraw/zinc/18/16/63/1140181663.db2.gz SKFUSTZTFXJNOA-HNAYVOBHSA-N 1 2 327.428 3.583 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]CC2=Cc3ccccc3OC2)no1 ZINC000186413942 1140202740 /nfs/dbraw/zinc/20/27/40/1140202740.db2.gz OCUWKVLGPJMWGE-UHFFFAOYSA-N 1 2 328.412 3.555 20 0 EHADLO CC(=O)N1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186442890 1140204434 /nfs/dbraw/zinc/20/44/34/1140204434.db2.gz COGAOWVKODHERW-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO CC(=O)N1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186442890 1140204439 /nfs/dbraw/zinc/20/44/39/1140204439.db2.gz COGAOWVKODHERW-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000187011667 1140232811 /nfs/dbraw/zinc/23/28/11/1140232811.db2.gz KDWNHXKUXOXHRA-UHFFFAOYSA-N 1 2 346.381 3.547 20 0 EHADLO CC[C@]1(CO)CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000187531684 1140260017 /nfs/dbraw/zinc/26/00/17/1140260017.db2.gz CFVOBRSSEGLHGU-IBGZPJMESA-N 1 2 346.496 3.707 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000187531684 1140260021 /nfs/dbraw/zinc/26/00/21/1140260021.db2.gz CFVOBRSSEGLHGU-IBGZPJMESA-N 1 2 346.496 3.707 20 0 EHADLO O=C1CCc2cc(NCc3cccc4[nH+]ccn43)ccc2N1CC1CC1 ZINC000187525366 1140260366 /nfs/dbraw/zinc/26/03/66/1140260366.db2.gz QUGMDYFTYSCKTJ-UHFFFAOYSA-N 1 2 346.434 3.636 20 0 EHADLO CSCC[C@H](C)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189112371 1140321841 /nfs/dbraw/zinc/32/18/41/1140321841.db2.gz PSLACNVQLFATSH-JTQLQIEISA-N 1 2 327.400 3.588 20 0 EHADLO CSCC[C@H](C)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189112371 1140321848 /nfs/dbraw/zinc/32/18/48/1140321848.db2.gz PSLACNVQLFATSH-JTQLQIEISA-N 1 2 327.400 3.588 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000189198536 1140326723 /nfs/dbraw/zinc/32/67/23/1140326723.db2.gz IQCZLLRZVZQORW-UHFFFAOYSA-N 1 2 325.815 3.634 20 0 EHADLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148422 1140389179 /nfs/dbraw/zinc/38/91/79/1140389179.db2.gz KODFHFJBZJLZJE-JSGCOSHPSA-N 1 2 335.473 3.699 20 0 EHADLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148422 1140389184 /nfs/dbraw/zinc/38/91/84/1140389184.db2.gz KODFHFJBZJLZJE-JSGCOSHPSA-N 1 2 335.473 3.699 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000190437074 1140404435 /nfs/dbraw/zinc/40/44/35/1140404435.db2.gz APZHKTDFKZUWBQ-UHFFFAOYSA-N 1 2 342.443 3.592 20 0 EHADLO CCc1cc(OCCCCCS(=O)(=O)CC)c2ccccc2[nH+]1 ZINC000190679250 1140414383 /nfs/dbraw/zinc/41/43/83/1140414383.db2.gz DXWCXCGGEGIPHI-UHFFFAOYSA-N 1 2 335.469 3.781 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nccc(OC)c1OC ZINC000191044542 1140432768 /nfs/dbraw/zinc/43/27/68/1140432768.db2.gz CJJJOGZWMMCZLY-HNNXBMFYSA-N 1 2 330.428 3.738 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994217 1140496459 /nfs/dbraw/zinc/49/64/59/1140496459.db2.gz OFZNEXGOTRJFNN-QGZVFWFLSA-N 1 2 338.879 3.662 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191994217 1140496461 /nfs/dbraw/zinc/49/64/61/1140496461.db2.gz OFZNEXGOTRJFNN-QGZVFWFLSA-N 1 2 338.879 3.662 20 0 EHADLO Cc1c(Cl)cccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000192521766 1140536519 /nfs/dbraw/zinc/53/65/19/1140536519.db2.gz ZEGHNRNNEHVJEB-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1nc(C)cs1)CCC2 ZINC000192639992 1140542063 /nfs/dbraw/zinc/54/20/63/1140542063.db2.gz XVRSPFFCANALSN-GFCCVEGCSA-N 1 2 334.441 3.697 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000266346306 1140671652 /nfs/dbraw/zinc/67/16/52/1140671652.db2.gz ZTCCJAJZFTWONJ-INMHGKMJSA-N 1 2 344.459 3.610 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000266917921 1140737362 /nfs/dbraw/zinc/73/73/62/1140737362.db2.gz GYBMJEMLWKJKMR-LBPRGKRZSA-N 1 2 330.375 3.636 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000266917921 1140737365 /nfs/dbraw/zinc/73/73/65/1140737365.db2.gz GYBMJEMLWKJKMR-LBPRGKRZSA-N 1 2 330.375 3.636 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cs1 ZINC000267041647 1140753263 /nfs/dbraw/zinc/75/32/63/1140753263.db2.gz ZEOBOELYEKUPAC-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cs1 ZINC000267041647 1140753266 /nfs/dbraw/zinc/75/32/66/1140753266.db2.gz ZEOBOELYEKUPAC-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cs1 ZINC000267064955 1140755292 /nfs/dbraw/zinc/75/52/92/1140755292.db2.gz ULKNEDCCHGCRKV-KDOFPFPSSA-N 1 2 346.496 3.796 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000267252357 1140772316 /nfs/dbraw/zinc/77/23/16/1140772316.db2.gz LLKCGKASSFNZBT-HNNXBMFYSA-N 1 2 328.412 3.542 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364198 1140783495 /nfs/dbraw/zinc/78/34/95/1140783495.db2.gz ITVSRAYQQRCPNL-GUYCJALGSA-N 1 2 329.831 3.533 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364198 1140783499 /nfs/dbraw/zinc/78/34/99/1140783499.db2.gz ITVSRAYQQRCPNL-GUYCJALGSA-N 1 2 329.831 3.533 20 0 EHADLO CCc1ncc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)s1 ZINC000267652458 1140816644 /nfs/dbraw/zinc/81/66/44/1140816644.db2.gz UZPXNYCLCKMZJX-UHFFFAOYSA-N 1 2 338.480 3.670 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)s1 ZINC000267775817 1140832646 /nfs/dbraw/zinc/83/26/46/1140832646.db2.gz HXCYDYPPQBIZMP-UHFFFAOYSA-N 1 2 331.485 3.748 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000267992898 1140862654 /nfs/dbraw/zinc/86/26/54/1140862654.db2.gz YRDGQYPISQXYQP-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000267992898 1140862667 /nfs/dbraw/zinc/86/26/67/1140862667.db2.gz YRDGQYPISQXYQP-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO Cc1csc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000268112163 1140885183 /nfs/dbraw/zinc/88/51/83/1140885183.db2.gz MJHRATDNHSYFMY-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1csc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000268112163 1140885194 /nfs/dbraw/zinc/88/51/94/1140885194.db2.gz MJHRATDNHSYFMY-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO COCCCOc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1 ZINC000268165739 1140895238 /nfs/dbraw/zinc/89/52/38/1140895238.db2.gz FMYUSBGAYRAHHO-UHFFFAOYSA-N 1 2 349.500 3.541 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1OC ZINC000268212990 1140903763 /nfs/dbraw/zinc/90/37/63/1140903763.db2.gz PJPWCXREALOVAN-UHFFFAOYSA-N 1 2 349.500 3.923 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000268209922 1140903778 /nfs/dbraw/zinc/90/37/78/1140903778.db2.gz ZLINMDVLMKQPQK-IBGZPJMESA-N 1 2 325.456 3.972 20 0 EHADLO COc1ccsc1C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000268794017 1140993548 /nfs/dbraw/zinc/99/35/48/1140993548.db2.gz NKOPZZDBCOFPDD-JTQLQIEISA-N 1 2 333.388 3.797 20 0 EHADLO Cc1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000268843869 1141007031 /nfs/dbraw/zinc/00/70/31/1141007031.db2.gz FXAHRMFBXSNPCE-VIFPVBQESA-N 1 2 332.404 3.800 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1OCc1ccccc1)c1nncn1C ZINC000268926299 1141027060 /nfs/dbraw/zinc/02/70/60/1141027060.db2.gz RRUAHJXYXNMJDN-HZPDHXFCSA-N 1 2 336.439 3.806 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000269136368 1141070777 /nfs/dbraw/zinc/07/07/77/1141070777.db2.gz RSTNWJNZACINHV-YOEHRIQHSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000269136368 1141070785 /nfs/dbraw/zinc/07/07/85/1141070785.db2.gz RSTNWJNZACINHV-YOEHRIQHSA-N 1 2 329.396 3.509 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270599539 1141243243 /nfs/dbraw/zinc/24/32/43/1141243243.db2.gz DPFSIKSVBYUYMO-KSSFIOAISA-N 1 2 338.455 3.622 20 0 EHADLO COc1cc([C@H](C)Nc2[nH+]c3ccccc3n2C)cc(OC)c1OC ZINC000270613687 1141245857 /nfs/dbraw/zinc/24/58/57/1141245857.db2.gz YYFZFRGHLWVLHN-LBPRGKRZSA-N 1 2 341.411 3.772 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)ccc1OC ZINC000270630715 1141247542 /nfs/dbraw/zinc/24/75/42/1141247542.db2.gz FQRFHNPMBBZQOH-AWEZNQCLSA-N 1 2 346.475 3.796 20 0 EHADLO CC(C)N(Cc1c[nH+]cn1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000270998667 1141292493 /nfs/dbraw/zinc/29/24/93/1141292493.db2.gz JUJXKYLKCZFGOS-UHFFFAOYSA-N 1 2 345.834 3.534 20 0 EHADLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)s1 ZINC000271120295 1141310579 /nfs/dbraw/zinc/31/05/79/1141310579.db2.gz JIJXZJHTGCFYPQ-INIZCTEOSA-N 1 2 326.469 3.929 20 0 EHADLO CCc1ncc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)s1 ZINC000271120295 1141310584 /nfs/dbraw/zinc/31/05/84/1141310584.db2.gz JIJXZJHTGCFYPQ-INIZCTEOSA-N 1 2 326.469 3.929 20 0 EHADLO Cc1cnc(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)s1 ZINC000271215467 1141327357 /nfs/dbraw/zinc/32/73/57/1141327357.db2.gz WSBQDVBPCMIKQC-UHFFFAOYSA-N 1 2 336.530 3.528 20 0 EHADLO Cc1c2c(sc1NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CCCC2 ZINC000271278664 1141338444 /nfs/dbraw/zinc/33/84/44/1141338444.db2.gz AYQNTBSGZCPYFR-UHFFFAOYSA-N 1 2 338.436 3.768 20 0 EHADLO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1cscn1 ZINC000271534939 1141391007 /nfs/dbraw/zinc/39/10/07/1141391007.db2.gz XGOPKTCJPHSLAJ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000271596657 1141403689 /nfs/dbraw/zinc/40/36/89/1141403689.db2.gz HACCCHSAVOMWFE-UHFFFAOYSA-N 1 2 341.434 3.606 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000271596657 1141403693 /nfs/dbraw/zinc/40/36/93/1141403693.db2.gz HACCCHSAVOMWFE-UHFFFAOYSA-N 1 2 341.434 3.606 20 0 EHADLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000271684680 1141418744 /nfs/dbraw/zinc/41/87/44/1141418744.db2.gz DDZXHXFIKXXFTI-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1(C)C ZINC000274127960 1141477705 /nfs/dbraw/zinc/47/77/05/1141477705.db2.gz CANHCVVYQWWUOU-MRXNPFEDSA-N 1 2 340.471 3.509 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000274304126 1141495263 /nfs/dbraw/zinc/49/52/63/1141495263.db2.gz RMGAMPABLCOXKN-MRXNPFEDSA-N 1 2 338.455 3.700 20 0 EHADLO CCn1cc(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)c2ccccc21 ZINC000339262427 1141543276 /nfs/dbraw/zinc/54/32/76/1141543276.db2.gz HGGLYLQUMYNJTH-UHFFFAOYSA-N 1 2 332.407 3.799 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2[nH+]1 ZINC000348533844 1141546984 /nfs/dbraw/zinc/54/69/84/1141546984.db2.gz TWRXOSZYTZTNQX-UHFFFAOYSA-N 1 2 338.392 3.769 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000348548634 1141550079 /nfs/dbraw/zinc/55/00/79/1141550079.db2.gz QUOCBCDFYMRGLT-IAGOWNOFSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000348548634 1141550084 /nfs/dbraw/zinc/55/00/84/1141550084.db2.gz QUOCBCDFYMRGLT-IAGOWNOFSA-N 1 2 349.377 3.605 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000348632930 1141558236 /nfs/dbraw/zinc/55/82/36/1141558236.db2.gz IYQFDOXBOXTAOS-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000348632930 1141558239 /nfs/dbraw/zinc/55/82/39/1141558239.db2.gz IYQFDOXBOXTAOS-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cnc(CC(C)C)s1 ZINC000348836757 1141593045 /nfs/dbraw/zinc/59/30/45/1141593045.db2.gz XQHPODRQKCFDGA-UHFFFAOYSA-N 1 2 337.533 3.566 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc(CC(C)C)s1 ZINC000348836757 1141593050 /nfs/dbraw/zinc/59/30/50/1141593050.db2.gz XQHPODRQKCFDGA-UHFFFAOYSA-N 1 2 337.533 3.566 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000349021309 1141623970 /nfs/dbraw/zinc/62/39/70/1141623970.db2.gz CNSODZGQUXAMSR-IBGZPJMESA-N 1 2 326.415 3.735 20 0 EHADLO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccnc2)cc1 ZINC000004271740 210157112 /nfs/dbraw/zinc/15/71/12/210157112.db2.gz SYAXGWYHKCFRTN-UHFFFAOYSA-N 1 2 337.383 3.642 20 0 EHADLO COC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000037972641 202070393 /nfs/dbraw/zinc/07/03/93/202070393.db2.gz ADZSJJIQRLDFQM-HNNXBMFYSA-N 1 2 340.261 3.976 20 0 EHADLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N1c2ccccc2C[C@H]1C ZINC000026371979 202141280 /nfs/dbraw/zinc/14/12/80/202141280.db2.gz ZNFUWKKQDQZLQN-KGLIPLIRSA-N 1 2 337.448 3.793 20 0 EHADLO CC[N@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348935 201052454 /nfs/dbraw/zinc/05/24/54/201052454.db2.gz QIZYCXAYWHXRDT-HNNXBMFYSA-N 1 2 347.422 3.992 20 0 EHADLO CC[N@@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348935 201052458 /nfs/dbraw/zinc/05/24/58/201052458.db2.gz QIZYCXAYWHXRDT-HNNXBMFYSA-N 1 2 347.422 3.992 20 0 EHADLO COc1c(C)c[nH+]c(CSc2ncn(-c3ccccc3)n2)c1C ZINC000078709161 201192075 /nfs/dbraw/zinc/19/20/75/201192075.db2.gz PVJISUUQRCUEKA-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000071835987 203123795 /nfs/dbraw/zinc/12/37/95/203123795.db2.gz GIOCORINNDONDD-UHFFFAOYSA-N 1 2 325.840 3.566 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000103550625 204084112 /nfs/dbraw/zinc/08/41/12/204084112.db2.gz DFDWONDMXGWBSG-TWGQIWQCSA-N 1 2 334.463 3.775 20 0 EHADLO Cc1cc2cc(NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000119577752 221351967 /nfs/dbraw/zinc/35/19/67/221351967.db2.gz VJICXTXFQATDJL-KHYOSLBOSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1cc2cc(NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000119577752 221351970 /nfs/dbraw/zinc/35/19/70/221351970.db2.gz VJICXTXFQATDJL-KHYOSLBOSA-N 1 2 343.471 3.549 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc2cc(Br)ccc2o1 ZINC000037017167 525624940 /nfs/dbraw/zinc/62/49/40/525624940.db2.gz NVABXMOAJKCHDK-ZJUUUORDSA-N 1 2 349.232 3.736 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCc1cccs1 ZINC000036216960 527167058 /nfs/dbraw/zinc/16/70/58/527167058.db2.gz KOWAALWMDSAYGR-UHFFFAOYSA-N 1 2 327.453 3.545 20 0 EHADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc(N2CCCCC2)cc1 ZINC000029962379 527320897 /nfs/dbraw/zinc/32/08/97/527320897.db2.gz CQTQYXBPJIFBRB-UHFFFAOYSA-N 1 2 334.423 3.506 20 0 EHADLO S=c1oc(-c2ccccc2Br)nn1C[NH+]1CCCC1 ZINC000005772204 563549740 /nfs/dbraw/zinc/54/97/40/563549740.db2.gz PCJKVSIUAPINRA-UHFFFAOYSA-N 1 2 340.246 3.688 20 0 EHADLO CO[C@H](C)c1nc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cs1 ZINC000275524213 564009127 /nfs/dbraw/zinc/00/91/27/564009127.db2.gz BTMBLFNFFQQFGF-WBMJQRKESA-N 1 2 346.500 3.790 20 0 EHADLO CCc1cc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1C ZINC000519089789 564057746 /nfs/dbraw/zinc/05/77/46/564057746.db2.gz BDLJPKMYOULXML-MRXNPFEDSA-N 1 2 326.444 3.906 20 0 EHADLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc(Cl)s1 ZINC000057648562 564155273 /nfs/dbraw/zinc/15/52/73/564155273.db2.gz KTTZMOHNXUGFQM-UHFFFAOYSA-N 1 2 335.860 3.717 20 0 EHADLO C[C@H](CC(=O)[O-])[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000820088697 598214082 /nfs/dbraw/zinc/21/40/82/598214082.db2.gz CQKCVWSSZRACKJ-MRXNPFEDSA-N 1 2 349.434 3.551 20 0 EHADLO CC(C)C[N@H+](C/C(Cl)=C/Cl)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820086926 606921819 /nfs/dbraw/zinc/92/18/19/606921819.db2.gz IMERNQPJHBPEFC-AUWJEWJLSA-N 1 2 340.258 3.644 20 0 EHADLO CC(C)C[N@@H+](C/C(Cl)=C/Cl)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820086926 606921821 /nfs/dbraw/zinc/92/18/21/606921821.db2.gz IMERNQPJHBPEFC-AUWJEWJLSA-N 1 2 340.258 3.644 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530472 609326938 /nfs/dbraw/zinc/32/69/38/609326938.db2.gz LXRWPCYSBCBONF-UWVGGRQHSA-N 1 2 347.344 3.696 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000536659013 1032071016 /nfs/dbraw/zinc/07/10/16/1032071016.db2.gz ZNPSNNLWQDOVOG-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000536659013 1032071002 /nfs/dbraw/zinc/07/10/02/1032071002.db2.gz ZNPSNNLWQDOVOG-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662770 1032081612 /nfs/dbraw/zinc/08/16/12/1032081612.db2.gz YNVGVSCGUDSLOP-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662770 1032081627 /nfs/dbraw/zinc/08/16/27/1032081627.db2.gz YNVGVSCGUDSLOP-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO CC(C)n1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)nn1 ZINC000414504809 1028154205 /nfs/dbraw/zinc/15/42/05/1028154205.db2.gz OUEGTJKLZDKRIF-UHFFFAOYSA-N 1 2 343.656 3.565 20 0 EHADLO COc1cnc(F)c(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC001204411903 1014203470 /nfs/dbraw/zinc/20/34/70/1014203470.db2.gz SKGIBYBZHRBDEJ-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccnc(C)n2)c2ccccc2OC)cc1 ZINC000339316409 1014210381 /nfs/dbraw/zinc/21/03/81/1014210381.db2.gz JOAOXUAIDSZIGM-OAQYLSRUSA-N 1 2 349.434 3.681 20 0 EHADLO CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001591662026 975412811 /nfs/dbraw/zinc/41/28/11/975412811.db2.gz RIOKZIJMCRYDPY-UHFFFAOYSA-N 1 2 342.439 3.607 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cccc(N(C)C)c2)C3)cc1 ZINC000683098275 1014294987 /nfs/dbraw/zinc/29/49/87/1014294987.db2.gz TWDRFVNSEQUBJK-UHFFFAOYSA-N 1 2 346.478 3.805 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cccc(N(C)C)c2)C3)cc1 ZINC000683098275 1014294994 /nfs/dbraw/zinc/29/49/94/1014294994.db2.gz TWDRFVNSEQUBJK-UHFFFAOYSA-N 1 2 346.478 3.805 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339382048 1014304844 /nfs/dbraw/zinc/30/48/44/1014304844.db2.gz ZPXRBBMMZGKKGH-ZDUSSCGKSA-N 1 2 347.459 3.581 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339382048 1014304856 /nfs/dbraw/zinc/30/48/56/1014304856.db2.gz ZPXRBBMMZGKKGH-ZDUSSCGKSA-N 1 2 347.459 3.581 20 0 EHADLO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108539 1014330622 /nfs/dbraw/zinc/33/06/22/1014330622.db2.gz DUYBYIMUKWXKHQ-HNAYVOBHSA-N 1 2 346.352 3.893 20 0 EHADLO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108539 1014330632 /nfs/dbraw/zinc/33/06/32/1014330632.db2.gz DUYBYIMUKWXKHQ-HNAYVOBHSA-N 1 2 346.352 3.893 20 0 EHADLO Cc1cn2cc(NC(=O)CCOc3ccccc3Cl)ccc2[nH+]1 ZINC000339393500 1014342102 /nfs/dbraw/zinc/34/21/02/1014342102.db2.gz RBIAUBJAXBCICG-UHFFFAOYSA-N 1 2 329.787 3.704 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(-n2cccn2)c(F)c1 ZINC000339430073 1014418456 /nfs/dbraw/zinc/41/84/56/1014418456.db2.gz OJQACJZGSRNWFP-SNVBAGLBSA-N 1 2 336.823 3.972 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000339430297 1014420651 /nfs/dbraw/zinc/42/06/51/1014420651.db2.gz SVKNUGKYODROME-WDEREUQCSA-N 1 2 331.420 3.583 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339469464 1014532126 /nfs/dbraw/zinc/53/21/26/1014532126.db2.gz KLHPXLIAVIUFAF-QWHCGFSZSA-N 1 2 349.887 3.570 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1nc(C(F)(F)F)cs1 ZINC000274680548 1014535622 /nfs/dbraw/zinc/53/56/22/1014535622.db2.gz ZSDKAOCHHSDNKD-WCBMZHEXSA-N 1 2 330.379 3.624 20 0 EHADLO C[C@@H]1CCCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498259 1032094718 /nfs/dbraw/zinc/09/47/18/1032094718.db2.gz YFNWFUPHOJLHIQ-QAPCUYQASA-N 1 2 341.455 3.863 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339474855 1014547613 /nfs/dbraw/zinc/54/76/13/1014547613.db2.gz BCBCYZCCYOVXLM-ROUUACIJSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000654894221 1014563399 /nfs/dbraw/zinc/56/33/99/1014563399.db2.gz LCVIMPMBEFNQEF-SNVBAGLBSA-N 1 2 338.238 3.701 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000654894221 1014563405 /nfs/dbraw/zinc/56/34/05/1014563405.db2.gz LCVIMPMBEFNQEF-SNVBAGLBSA-N 1 2 338.238 3.701 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCCN(c3ccccc3)CC2)no1 ZINC000123502189 1014583124 /nfs/dbraw/zinc/58/31/24/1014583124.db2.gz ZVTNCIGWJFIMLP-UHFFFAOYSA-N 1 2 348.450 3.757 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCCN(c3ccccc3)CC2)no1 ZINC000123502189 1014583135 /nfs/dbraw/zinc/58/31/35/1014583135.db2.gz ZVTNCIGWJFIMLP-UHFFFAOYSA-N 1 2 348.450 3.757 20 0 EHADLO CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001595281874 980338950 /nfs/dbraw/zinc/33/89/50/980338950.db2.gz UGPZNVPVEGEBMN-IRXDYDNUSA-N 1 2 329.444 3.737 20 0 EHADLO Fc1ccc(Cn2cc(C[NH2+]Cc3c(F)cc(F)cc3F)cn2)cc1 ZINC000339522532 1014697272 /nfs/dbraw/zinc/69/72/72/1014697272.db2.gz KJAFHPHWDIJOAE-UHFFFAOYSA-N 1 2 349.331 3.778 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339541527 1014757588 /nfs/dbraw/zinc/75/75/88/1014757588.db2.gz XBZBTVPSSTYSHM-ZBFHGGJFSA-N 1 2 346.862 3.724 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000045065864 1014883785 /nfs/dbraw/zinc/88/37/85/1014883785.db2.gz BFPRIGUTBDLNDG-UHFFFAOYSA-N 1 2 347.418 3.598 20 0 EHADLO CCCc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1-c1ccccc1C ZINC000683211683 1015026612 /nfs/dbraw/zinc/02/66/12/1015026612.db2.gz IJZOLRFYQFXFFR-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339581721 1015064210 /nfs/dbraw/zinc/06/42/10/1015064210.db2.gz WVGAUFJYJPFELH-SFQUDFHCSA-N 1 2 348.450 3.607 20 0 EHADLO FC(F)(F)c1cccnc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000683221077 1015103567 /nfs/dbraw/zinc/10/35/67/1015103567.db2.gz IEHNWINWJFBFEL-UHFFFAOYSA-N 1 2 336.361 3.572 20 0 EHADLO CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc21 ZINC000339596233 1015135016 /nfs/dbraw/zinc/13/50/16/1015135016.db2.gz YMUXTARKPKHVGP-UHFFFAOYSA-N 1 2 346.390 3.559 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(Cl)cn1 ZINC000274794955 1015170635 /nfs/dbraw/zinc/17/06/35/1015170635.db2.gz SSBVPNSSDGXKGM-HZSPNIEDSA-N 1 2 346.862 3.917 20 0 EHADLO CCOc1cccc2[nH]cc(Cc3noc([C@@H]4C[C@H]4c4c[nH]c[nH+]4)n3)c21 ZINC000924038508 1015187586 /nfs/dbraw/zinc/18/75/86/1015187586.db2.gz UQMZQMRXVPQNTM-CHWSQXEVSA-N 1 2 349.394 3.535 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccccc1OC(F)F ZINC000471175167 1015265821 /nfs/dbraw/zinc/26/58/21/1015265821.db2.gz AGOMOSLAENEJDJ-OAHLLOKOSA-N 1 2 332.350 3.674 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccccc1OC(F)F ZINC000471175167 1015265829 /nfs/dbraw/zinc/26/58/29/1015265829.db2.gz AGOMOSLAENEJDJ-OAHLLOKOSA-N 1 2 332.350 3.674 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000655277337 1015308865 /nfs/dbraw/zinc/30/88/65/1015308865.db2.gz PKEOAGIQPZYGDO-AZUAARDMSA-N 1 2 349.478 3.980 20 0 EHADLO CCCc1nc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cs1 ZINC000339622844 1015399933 /nfs/dbraw/zinc/39/99/33/1015399933.db2.gz UEXUXKQEEOAURE-UHFFFAOYSA-N 1 2 328.481 3.899 20 0 EHADLO CCCc1nc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cs1 ZINC000339622844 1015399947 /nfs/dbraw/zinc/39/99/47/1015399947.db2.gz UEXUXKQEEOAURE-UHFFFAOYSA-N 1 2 328.481 3.899 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1nncn1-c1ccccc1)C(C)(C)C2 ZINC000339634170 1015435920 /nfs/dbraw/zinc/43/59/20/1015435920.db2.gz NKUQKZZAJRJPOZ-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1nncn1-c1ccccc1)C(C)(C)C2 ZINC000339634170 1015435925 /nfs/dbraw/zinc/43/59/25/1015435925.db2.gz NKUQKZZAJRJPOZ-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO CSc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000153494494 1125505081 /nfs/dbraw/zinc/50/50/81/1125505081.db2.gz KVVNSMHGHRBCKB-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO CC1(C[N@@H+]2CCn3c(Cc4ccc(F)cc4)nnc3C2)CCCCC1 ZINC001208897938 1015537806 /nfs/dbraw/zinc/53/78/06/1015537806.db2.gz IQHVMAQAGOHPKA-UHFFFAOYSA-N 1 2 342.462 3.794 20 0 EHADLO CC1(C[N@H+]2CCn3c(Cc4ccc(F)cc4)nnc3C2)CCCCC1 ZINC001208897938 1015537814 /nfs/dbraw/zinc/53/78/14/1015537814.db2.gz IQHVMAQAGOHPKA-UHFFFAOYSA-N 1 2 342.462 3.794 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(C)noc1C ZINC000339756817 1015653252 /nfs/dbraw/zinc/65/32/52/1015653252.db2.gz OHCAEPSNYOCSHK-SWLSCSKDSA-N 1 2 345.443 3.751 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000339823509 1015704063 /nfs/dbraw/zinc/70/40/63/1015704063.db2.gz VAWWAWCBEXQCPX-KRWDZBQOSA-N 1 2 331.375 3.776 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)no2)cc1 ZINC000246147504 1015789091 /nfs/dbraw/zinc/78/90/91/1015789091.db2.gz OOKVCCAJIOHEMJ-HZPDHXFCSA-N 1 2 345.468 3.605 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)no2)cc1 ZINC000246147504 1015789093 /nfs/dbraw/zinc/78/90/93/1015789093.db2.gz OOKVCCAJIOHEMJ-HZPDHXFCSA-N 1 2 345.468 3.605 20 0 EHADLO O=C(/C=C/C1CCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000843545643 1015846112 /nfs/dbraw/zinc/84/61/12/1015846112.db2.gz XBORMTFMBIMMKG-MDZDMXLPSA-N 1 2 327.472 3.825 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(C)C)cc2)on1 ZINC000076993597 1015860071 /nfs/dbraw/zinc/86/00/71/1015860071.db2.gz SZLYOXVOIDVVER-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(C)C)cc2)on1 ZINC000076993597 1015860079 /nfs/dbraw/zinc/86/00/79/1015860079.db2.gz SZLYOXVOIDVVER-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1CCc1ccccc1 ZINC000154907833 1015928337 /nfs/dbraw/zinc/92/83/37/1015928337.db2.gz KBZXUUOCARYOPK-UHFFFAOYSA-N 1 2 347.462 3.831 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1C2CC3CC(C2)CC1C3 ZINC000045730666 1015936875 /nfs/dbraw/zinc/93/68/75/1015936875.db2.gz HIJMQMHDUSLALV-UHFFFAOYSA-N 1 2 349.478 3.828 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC2CCC2)cc1 ZINC000079775324 1015994825 /nfs/dbraw/zinc/99/48/25/1015994825.db2.gz OZNIGZCHKIXTQZ-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000536688925 1032134880 /nfs/dbraw/zinc/13/48/80/1032134880.db2.gz MRVYPBBBGIVGIO-KRWDZBQOSA-N 1 2 349.862 3.537 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000109621432 1016192073 /nfs/dbraw/zinc/19/20/73/1016192073.db2.gz OBSOXZQGHWAEMM-OAHLLOKOSA-N 1 2 345.462 3.990 20 0 EHADLO C[C@H]([NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cn[nH]c1 ZINC000275248689 1016204062 /nfs/dbraw/zinc/20/40/62/1016204062.db2.gz YDWVSEJVCNXXKL-JTQLQIEISA-N 1 2 336.317 3.934 20 0 EHADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125791 1016207752 /nfs/dbraw/zinc/20/77/52/1016207752.db2.gz YPZLTQUDEUHOGT-UHFFFAOYSA-N 1 2 333.867 3.774 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCC[C@@H]1C ZINC000340107382 1016321155 /nfs/dbraw/zinc/32/11/55/1016321155.db2.gz WVMIULMLKYYSKN-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccoc3)n2)CC1 ZINC000177613577 1016398776 /nfs/dbraw/zinc/39/87/76/1016398776.db2.gz WPUXPKWRINICAM-UHFFFAOYSA-N 1 2 333.457 3.539 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000340142924 1016449713 /nfs/dbraw/zinc/44/97/13/1016449713.db2.gz AYNZSIJMWUJDFI-UHFFFAOYSA-N 1 2 331.828 3.764 20 0 EHADLO CCO[C@H](c1noc([C@H]2CC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041970 1016467831 /nfs/dbraw/zinc/46/78/31/1016467831.db2.gz SAUJRSICAKAAFV-SJORKVTESA-N 1 2 327.428 3.885 20 0 EHADLO CCO[C@H](c1noc([C@H]2CC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041970 1016467843 /nfs/dbraw/zinc/46/78/43/1016467843.db2.gz SAUJRSICAKAAFV-SJORKVTESA-N 1 2 327.428 3.885 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC(C)C ZINC001167199077 1016555000 /nfs/dbraw/zinc/55/50/00/1016555000.db2.gz DWNAUKBIZYAPBO-UHFFFAOYSA-N 1 2 349.471 3.663 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC(C)C ZINC001167199077 1016555011 /nfs/dbraw/zinc/55/50/11/1016555011.db2.gz DWNAUKBIZYAPBO-UHFFFAOYSA-N 1 2 349.471 3.663 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC001204463631 1016582708 /nfs/dbraw/zinc/58/27/08/1016582708.db2.gz QFCVBCPOAZFYGW-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO c1csc([C@H]([NH2+]CCCSc2ccccc2)c2nnc[nH]2)c1 ZINC000340184800 1016638246 /nfs/dbraw/zinc/63/82/46/1016638246.db2.gz WEUFUCRTBKYITB-HNNXBMFYSA-N 1 2 330.482 3.728 20 0 EHADLO COC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660758897 1016641485 /nfs/dbraw/zinc/64/14/85/1016641485.db2.gz XCUDWDKNVHAPBQ-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO COC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660758897 1016641498 /nfs/dbraw/zinc/64/14/98/1016641498.db2.gz XCUDWDKNVHAPBQ-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080563616 1032148972 /nfs/dbraw/zinc/14/89/72/1032148972.db2.gz GGJZMDKYYIORFI-GOSISDBHSA-N 1 2 326.444 3.518 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199821 1016683746 /nfs/dbraw/zinc/68/37/46/1016683746.db2.gz FORGQKZPZYJYPK-GJZGRUSLSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199821 1016683754 /nfs/dbraw/zinc/68/37/54/1016683754.db2.gz FORGQKZPZYJYPK-GJZGRUSLSA-N 1 2 340.345 3.619 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000510247441 1016706140 /nfs/dbraw/zinc/70/61/40/1016706140.db2.gz XQXUGCQHNRLWSS-NSHDSACASA-N 1 2 338.776 3.919 20 0 EHADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1nc(C2CCCC2)no1 ZINC000178589308 1016734583 /nfs/dbraw/zinc/73/45/83/1016734583.db2.gz BUCFHWPXPJWSMT-UHFFFAOYSA-N 1 2 333.407 3.767 20 0 EHADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nc(C2CCCC2)no1 ZINC000178589308 1016734594 /nfs/dbraw/zinc/73/45/94/1016734594.db2.gz BUCFHWPXPJWSMT-UHFFFAOYSA-N 1 2 333.407 3.767 20 0 EHADLO Fc1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001203412709 1016900195 /nfs/dbraw/zinc/90/01/95/1016900195.db2.gz LIJCXGZJYWPUQY-HNNXBMFYSA-N 1 2 332.797 3.785 20 0 EHADLO c1csc([C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)c2nnc[nH]2)c1 ZINC000340301229 1016906860 /nfs/dbraw/zinc/90/68/60/1016906860.db2.gz KQYODAISOLXSKM-QGZVFWFLSA-N 1 2 338.480 3.958 20 0 EHADLO CC(=O)c1nc(CC[N@@H+](C)Cc2cccc(Cl)c2Cl)[nH]c1C ZINC000659814797 1017055948 /nfs/dbraw/zinc/05/59/48/1017055948.db2.gz VQZVFYYIZMMPLQ-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1nc(CC[N@H+](C)Cc2cccc(Cl)c2Cl)[nH]c1C ZINC000659814797 1017055964 /nfs/dbraw/zinc/05/59/64/1017055964.db2.gz VQZVFYYIZMMPLQ-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1[nH]c(CC[N@@H+](C)Cc2cccc(Cl)c2Cl)nc1C ZINC000659814797 1017055978 /nfs/dbraw/zinc/05/59/78/1017055978.db2.gz VQZVFYYIZMMPLQ-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1[nH]c(CC[N@H+](C)Cc2cccc(Cl)c2Cl)nc1C ZINC000659814797 1017055992 /nfs/dbraw/zinc/05/59/92/1017055992.db2.gz VQZVFYYIZMMPLQ-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cnn1C ZINC000183409229 1032166944 /nfs/dbraw/zinc/16/69/44/1032166944.db2.gz HNGZEBTYLNUFAV-KBPBESRZSA-N 1 2 339.443 3.807 20 0 EHADLO CC[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000460982515 1032178476 /nfs/dbraw/zinc/17/84/76/1032178476.db2.gz XTNHEXVKIJNDHE-GOSISDBHSA-N 1 2 346.471 3.725 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080924535 1032205972 /nfs/dbraw/zinc/20/59/72/1032205972.db2.gz FMAGEJGRDUPTAC-UHFFFAOYSA-N 1 2 340.467 3.651 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080924535 1032205986 /nfs/dbraw/zinc/20/59/86/1032205986.db2.gz FMAGEJGRDUPTAC-UHFFFAOYSA-N 1 2 340.467 3.651 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)[C@H](C)CO1 ZINC000528387459 1032210540 /nfs/dbraw/zinc/21/05/40/1032210540.db2.gz GRXYWEKOGFIAEV-QRWLVFNGSA-N 1 2 329.415 3.588 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)[C@H](C)CO1 ZINC000528387459 1032210556 /nfs/dbraw/zinc/21/05/56/1032210556.db2.gz GRXYWEKOGFIAEV-QRWLVFNGSA-N 1 2 329.415 3.588 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCc3ccsc3C2)[C@@H]1c1ccccc1 ZINC000760289143 1032224893 /nfs/dbraw/zinc/22/48/93/1032224893.db2.gz VZFYVTHTGDRCCB-QGZVFWFLSA-N 1 2 326.465 3.673 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCc3ccsc3C2)[C@@H]1c1ccccc1 ZINC000760289143 1032224906 /nfs/dbraw/zinc/22/49/06/1032224906.db2.gz VZFYVTHTGDRCCB-QGZVFWFLSA-N 1 2 326.465 3.673 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(Cl)c1 ZINC000459518257 1032225946 /nfs/dbraw/zinc/22/59/46/1032225946.db2.gz SOXGIBDLHCOJCW-GLJUWKHASA-N 1 2 341.854 3.946 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(Cl)c1 ZINC000459518257 1032225954 /nfs/dbraw/zinc/22/59/54/1032225954.db2.gz SOXGIBDLHCOJCW-GLJUWKHASA-N 1 2 341.854 3.946 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccco1 ZINC000528409701 1032249784 /nfs/dbraw/zinc/24/97/84/1032249784.db2.gz NIMTZUFDJCRYSR-HZPDHXFCSA-N 1 2 344.430 3.818 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2sc3ccccc3c2Cl)C(C)(C)C1 ZINC000538276731 1032264502 /nfs/dbraw/zinc/26/45/02/1032264502.db2.gz OXKBNYHQVFEHDN-UHFFFAOYSA-N 1 2 336.888 3.997 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2sc3ccccc3c2Cl)C(C)(C)C1 ZINC000538276731 1032264517 /nfs/dbraw/zinc/26/45/17/1032264517.db2.gz OXKBNYHQVFEHDN-UHFFFAOYSA-N 1 2 336.888 3.997 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nnc(C3CC3)s2)c2ccccc2)CCCC1 ZINC000459548085 1032266498 /nfs/dbraw/zinc/26/64/98/1032266498.db2.gz UGORQZWKANDMQC-QGZVFWFLSA-N 1 2 343.496 3.799 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@@H]1SC ZINC000459554145 1032272402 /nfs/dbraw/zinc/27/24/02/1032272402.db2.gz CVYQPHGJPXYVSG-KSZLIROESA-N 1 2 331.485 3.810 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000536802542 1032282695 /nfs/dbraw/zinc/28/26/95/1032282695.db2.gz YWMARSZSIJBVCF-AEFFLSMTSA-N 1 2 329.488 3.905 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528426146 1032280277 /nfs/dbraw/zinc/28/02/77/1032280277.db2.gz YZIRRTWTAKIPET-IBGZPJMESA-N 1 2 339.414 3.542 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(CO)ccc1F ZINC000528426146 1032280286 /nfs/dbraw/zinc/28/02/86/1032280286.db2.gz YZIRRTWTAKIPET-IBGZPJMESA-N 1 2 339.414 3.542 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000081233592 1032287425 /nfs/dbraw/zinc/28/74/25/1032287425.db2.gz BABRULOXHBUDAF-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2cccs2)C(C)(C)CO)c(C)[nH+]1 ZINC000459587472 1032287721 /nfs/dbraw/zinc/28/77/21/1032287721.db2.gz VICGXAJZLMPXFC-MRXNPFEDSA-N 1 2 347.484 3.950 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000568765753 1032299708 /nfs/dbraw/zinc/29/97/08/1032299708.db2.gz ZTJZFUSGZOEFPI-FHLIZLRMSA-N 1 2 335.407 3.593 20 0 EHADLO Fc1ccccc1COc1ccc(CSCCn2cc[nH+]c2)cn1 ZINC000184899966 1032329553 /nfs/dbraw/zinc/32/95/53/1032329553.db2.gz KTYAHOCWQBSPQE-UHFFFAOYSA-N 1 2 343.427 3.930 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C(C)C)s1)CCCO2 ZINC000536851499 1032347258 /nfs/dbraw/zinc/34/72/58/1032347258.db2.gz JSONPRTVZRTICL-AWEZNQCLSA-N 1 2 333.457 3.674 20 0 EHADLO Fc1ccc2nc(C[NH+]3CC(COc4ccccc4)C3)sc2c1 ZINC000459631274 1032349677 /nfs/dbraw/zinc/34/96/77/1032349677.db2.gz KGFJNVRMUYDOHH-UHFFFAOYSA-N 1 2 328.412 3.946 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)Cn1cc[nH+]c1 ZINC000081799918 1032367255 /nfs/dbraw/zinc/36/72/55/1032367255.db2.gz WGYDRJPNOPNALY-VXGBXAGGSA-N 1 2 340.254 3.746 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1ccon1 ZINC000449237140 1032371368 /nfs/dbraw/zinc/37/13/68/1032371368.db2.gz MUFYMNQRWVBIKG-OQPBUACISA-N 1 2 325.181 3.914 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000053117574 1032378970 /nfs/dbraw/zinc/37/89/70/1032378970.db2.gz OIFDHNQFLMLJCA-UHFFFAOYSA-N 1 2 344.267 3.829 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000053117574 1032378984 /nfs/dbraw/zinc/37/89/84/1032378984.db2.gz OIFDHNQFLMLJCA-UHFFFAOYSA-N 1 2 344.267 3.829 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000528518018 1032395376 /nfs/dbraw/zinc/39/53/76/1032395376.db2.gz JFKVGCDLFFDBGB-JOYOIKCWSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000528518018 1032395393 /nfs/dbraw/zinc/39/53/93/1032395393.db2.gz JFKVGCDLFFDBGB-JOYOIKCWSA-N 1 2 334.204 3.584 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)[nH]1 ZINC000459673776 1032402412 /nfs/dbraw/zinc/40/24/12/1032402412.db2.gz IGIWKVROVSLHKN-UHFFFAOYSA-N 1 2 344.793 3.647 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCC12CC2 ZINC000528520766 1032398548 /nfs/dbraw/zinc/39/85/48/1032398548.db2.gz NGYHAYDHWHTOAT-ZBFHGGJFSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCC12CC2 ZINC000528520766 1032398557 /nfs/dbraw/zinc/39/85/57/1032398557.db2.gz NGYHAYDHWHTOAT-ZBFHGGJFSA-N 1 2 348.437 3.626 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672099 1032399847 /nfs/dbraw/zinc/39/98/47/1032399847.db2.gz XDUMDTZGYTZYQK-PWSUYJOCSA-N 1 2 349.422 3.589 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672099 1032399857 /nfs/dbraw/zinc/39/98/57/1032399857.db2.gz XDUMDTZGYTZYQK-PWSUYJOCSA-N 1 2 349.422 3.589 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2c(c1)CCCC2 ZINC000538500464 1032400815 /nfs/dbraw/zinc/40/08/15/1032400815.db2.gz HBEBDIWLFKVMIU-INIZCTEOSA-N 1 2 337.467 3.970 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)cc1O ZINC000080961886 1032418025 /nfs/dbraw/zinc/41/80/25/1032418025.db2.gz DWTGOQOIJRVCAH-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)cc1O ZINC000080961886 1032418032 /nfs/dbraw/zinc/41/80/32/1032418032.db2.gz DWTGOQOIJRVCAH-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO CC1(C)CC(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000666138241 1032419410 /nfs/dbraw/zinc/41/94/10/1032419410.db2.gz RFUVMDGRDGIKGL-UHFFFAOYSA-N 1 2 331.504 3.731 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000118835868 1032423124 /nfs/dbraw/zinc/42/31/24/1032423124.db2.gz ICKIYIWRUMXRNJ-GOSISDBHSA-N 1 2 339.483 3.748 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306738 1032424504 /nfs/dbraw/zinc/42/45/04/1032424504.db2.gz XMJBFNGTLVEASI-QFBILLFUSA-N 1 2 343.492 3.858 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306738 1032424505 /nfs/dbraw/zinc/42/45/05/1032424505.db2.gz XMJBFNGTLVEASI-QFBILLFUSA-N 1 2 343.492 3.858 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536913245 1032425328 /nfs/dbraw/zinc/42/53/28/1032425328.db2.gz BHRMXQJYBNYKHN-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536913245 1032425334 /nfs/dbraw/zinc/42/53/34/1032425334.db2.gz BHRMXQJYBNYKHN-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000118875139 1032429807 /nfs/dbraw/zinc/42/98/07/1032429807.db2.gz VIBIBSIZHWNLDK-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO Cc1csc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000185523975 1032438867 /nfs/dbraw/zinc/43/88/67/1032438867.db2.gz PQUGQIXLSKZZLR-CYBMUJFWSA-N 1 2 348.447 3.501 20 0 EHADLO COCCC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000528576544 1032455827 /nfs/dbraw/zinc/45/58/27/1032455827.db2.gz VZKINSXIMQFTTI-LBPRGKRZSA-N 1 2 349.500 3.823 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCc2nccnc2C1 ZINC000668734974 1032450636 /nfs/dbraw/zinc/45/06/36/1032450636.db2.gz VHAIVSZDTIJWGL-RAXLEYEMSA-N 1 2 331.366 3.540 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCc2nccnc2C1 ZINC000668734974 1032450645 /nfs/dbraw/zinc/45/06/45/1032450645.db2.gz VHAIVSZDTIJWGL-RAXLEYEMSA-N 1 2 331.366 3.540 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CC(C)(C)[C@@H]3c3ccncc3)cn2)cc1 ZINC000449340872 1032457819 /nfs/dbraw/zinc/45/78/19/1032457819.db2.gz QSMAHFTTYBDJJC-FQEVSTJZSA-N 1 2 348.450 3.859 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CC(C)(C)[C@@H]3c3ccncc3)cn2)cc1 ZINC000449340872 1032457821 /nfs/dbraw/zinc/45/78/21/1032457821.db2.gz QSMAHFTTYBDJJC-FQEVSTJZSA-N 1 2 348.450 3.859 20 0 EHADLO Cc1ccc(OC2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)cc1C ZINC000584413914 1032469354 /nfs/dbraw/zinc/46/93/54/1032469354.db2.gz CYNCMLWGEOPNEZ-KRWDZBQOSA-N 1 2 341.455 3.521 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cs2)c1OC ZINC000459786283 1032474523 /nfs/dbraw/zinc/47/45/23/1032474523.db2.gz CEVQDAQFXKCOHV-STQMWFEESA-N 1 2 348.493 3.517 20 0 EHADLO COc1cccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cs2)c1OC ZINC000459786283 1032474526 /nfs/dbraw/zinc/47/45/26/1032474526.db2.gz CEVQDAQFXKCOHV-STQMWFEESA-N 1 2 348.493 3.517 20 0 EHADLO Cc1nnc(C[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)[nH]1 ZINC000528595142 1032477448 /nfs/dbraw/zinc/47/74/48/1032477448.db2.gz UCLBQSZBATVYTR-UHFFFAOYSA-N 1 2 337.265 3.676 20 0 EHADLO Cc1nnc(C[N@@H+](Cc2ccc(Br)cc2)C(C)(C)C)[nH]1 ZINC000528595142 1032477451 /nfs/dbraw/zinc/47/74/51/1032477451.db2.gz UCLBQSZBATVYTR-UHFFFAOYSA-N 1 2 337.265 3.676 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459795828 1032479174 /nfs/dbraw/zinc/47/91/74/1032479174.db2.gz QUNATBKHKJQDSI-SOUVJXGZSA-N 1 2 328.460 3.611 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1F ZINC000634679906 1017090126 /nfs/dbraw/zinc/09/01/26/1017090126.db2.gz GUULMEKBWCYHNT-HNNXBMFYSA-N 1 2 325.428 3.974 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000118996012 1032491954 /nfs/dbraw/zinc/49/19/54/1032491954.db2.gz TVJQBRSFFQXITO-JDIZFGSQSA-N 1 2 343.858 3.612 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Sc1ccccc1 ZINC000081106714 1032494333 /nfs/dbraw/zinc/49/43/33/1032494333.db2.gz ZVHXTIPICNTKQK-HNNXBMFYSA-N 1 2 337.448 3.783 20 0 EHADLO CCOc1nnc(C[N@@H+]2C[C@H](c3cccc(OC)c3)C(C)(C)C2)s1 ZINC000528623481 1032503591 /nfs/dbraw/zinc/50/35/91/1032503591.db2.gz KCJOFOFRHIMPFP-OAHLLOKOSA-N 1 2 347.484 3.571 20 0 EHADLO CCOc1nnc(C[N@H+]2C[C@H](c3cccc(OC)c3)C(C)(C)C2)s1 ZINC000528623481 1032503595 /nfs/dbraw/zinc/50/35/95/1032503595.db2.gz KCJOFOFRHIMPFP-OAHLLOKOSA-N 1 2 347.484 3.571 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000089268833 1032522691 /nfs/dbraw/zinc/52/26/91/1032522691.db2.gz LPFZJYBJSKACCR-LSDHHAIUSA-N 1 2 328.803 3.862 20 0 EHADLO COCCc1noc(C[NH2+]C(C)(C)c2ccc(C(C)(C)C)cc2)n1 ZINC000537106395 1032522985 /nfs/dbraw/zinc/52/29/85/1032522985.db2.gz DNRHOLWHYBZLDK-UHFFFAOYSA-N 1 2 331.460 3.581 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccccc2OCc2ccccc2)[nH]1 ZINC000449405422 1032526936 /nfs/dbraw/zinc/52/69/36/1032526936.db2.gz LIOSGFBEKUGYNJ-UHFFFAOYSA-N 1 2 336.439 3.797 20 0 EHADLO Cc1cc(Br)cn2c(CN[C@@H](C)C(C)(F)F)c[nH+]c12 ZINC000449412527 1032536949 /nfs/dbraw/zinc/53/69/49/1032536949.db2.gz FZSUBWXLWOUGRV-VIFPVBQESA-N 1 2 332.192 3.539 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1=CC[C@@H](C)CC1 ZINC000455845875 1032541748 /nfs/dbraw/zinc/54/17/48/1032541748.db2.gz NAIYDXZFHDREMO-QGZVFWFLSA-N 1 2 341.499 3.893 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449418036 1032551744 /nfs/dbraw/zinc/55/17/44/1032551744.db2.gz BBLHFCLSCRVVLZ-QZTJIDSGSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449418036 1032551747 /nfs/dbraw/zinc/55/17/47/1032551747.db2.gz BBLHFCLSCRVVLZ-QZTJIDSGSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000449422699 1032559157 /nfs/dbraw/zinc/55/91/57/1032559157.db2.gz NGGYWEVPMPATSB-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000449422699 1032559160 /nfs/dbraw/zinc/55/91/60/1032559160.db2.gz NGGYWEVPMPATSB-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1F ZINC000528675978 1032567409 /nfs/dbraw/zinc/56/74/09/1032567409.db2.gz PTLVMPMSJSTNCG-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121352523 1017108568 /nfs/dbraw/zinc/10/85/68/1017108568.db2.gz RMNGDDBNDCAGAO-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121352523 1017108579 /nfs/dbraw/zinc/10/85/79/1017108579.db2.gz RMNGDDBNDCAGAO-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000669622040 1032597595 /nfs/dbraw/zinc/59/75/95/1032597595.db2.gz CUGACFSMUDHVIO-SJLPKXTDSA-N 1 2 337.467 3.666 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2c3ccccc3n(C)c2=S)cc1 ZINC000058592735 1032599734 /nfs/dbraw/zinc/59/97/34/1032599734.db2.gz MVPGDLHKSYTMEH-UHFFFAOYSA-N 1 2 327.453 3.807 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2c3ccccc3n(C)c2=S)cc1 ZINC000058592735 1032599751 /nfs/dbraw/zinc/59/97/51/1032599751.db2.gz MVPGDLHKSYTMEH-UHFFFAOYSA-N 1 2 327.453 3.807 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccs1 ZINC000606345001 1032626930 /nfs/dbraw/zinc/62/69/30/1032626930.db2.gz KKUCAQNQOSENMY-MPNRVQBSSA-N 1 2 340.492 3.709 20 0 EHADLO C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000606320429 1032636134 /nfs/dbraw/zinc/63/61/34/1032636134.db2.gz NLCPKNWTJJMXOR-CQSZACIVSA-N 1 2 335.382 3.771 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)nc1 ZINC000088535296 1017121928 /nfs/dbraw/zinc/12/19/28/1017121928.db2.gz CHCNQERMFPMFJH-JXFKEZNVSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)nc1 ZINC000088535296 1017121935 /nfs/dbraw/zinc/12/19/35/1017121935.db2.gz CHCNQERMFPMFJH-JXFKEZNVSA-N 1 2 326.440 3.751 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559453 1017224008 /nfs/dbraw/zinc/22/40/08/1017224008.db2.gz RJAZPQLTUBJNRV-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559453 1017224018 /nfs/dbraw/zinc/22/40/18/1017224018.db2.gz RJAZPQLTUBJNRV-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)c1nc2cccc(Cl)c2s1 ZINC000683459874 1017229447 /nfs/dbraw/zinc/22/94/47/1017229447.db2.gz WUIMXABRXKBQAD-UHFFFAOYSA-N 1 2 334.832 3.589 20 0 EHADLO CC(C)C1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000530765441 1017252873 /nfs/dbraw/zinc/25/28/73/1017252873.db2.gz KFLYFQUSRRZYOE-UHFFFAOYSA-N 1 2 336.505 3.687 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000683522492 1017257430 /nfs/dbraw/zinc/25/74/30/1017257430.db2.gz KZPFYPOVLXCIRY-LBPRGKRZSA-N 1 2 342.283 3.644 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000683522492 1017257446 /nfs/dbraw/zinc/25/74/46/1017257446.db2.gz KZPFYPOVLXCIRY-LBPRGKRZSA-N 1 2 342.283 3.644 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1F ZINC000606448829 1032691617 /nfs/dbraw/zinc/69/16/17/1032691617.db2.gz HSNQZUWDSWJGHH-AWEZNQCLSA-N 1 2 344.405 3.509 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1F ZINC000606448829 1032691622 /nfs/dbraw/zinc/69/16/22/1032691622.db2.gz HSNQZUWDSWJGHH-AWEZNQCLSA-N 1 2 344.405 3.509 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450025 1032692162 /nfs/dbraw/zinc/69/21/62/1032692162.db2.gz MIOMGBRGGPKJGI-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450025 1032692177 /nfs/dbraw/zinc/69/21/77/1032692177.db2.gz MIOMGBRGGPKJGI-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655719663 1017456137 /nfs/dbraw/zinc/45/61/37/1017456137.db2.gz YLGCTEPMOPRIAB-LBPRGKRZSA-N 1 2 327.762 3.763 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc2nccnc2c1Br ZINC000313711939 1017486909 /nfs/dbraw/zinc/48/69/09/1017486909.db2.gz IJDFRWNULIXWJY-UHFFFAOYSA-N 1 2 346.232 3.782 20 0 EHADLO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1nn(C)cc1Br)CC2 ZINC000655772256 1017571991 /nfs/dbraw/zinc/57/19/91/1017571991.db2.gz LORMCCIFUAVNIQ-CQSZACIVSA-N 1 2 334.261 3.577 20 0 EHADLO Cc1cccn2cc(Cc3nc(C(C)(C)c4ccccc4)no3)[nH+]c12 ZINC000683592863 1017574750 /nfs/dbraw/zinc/57/47/50/1017574750.db2.gz UGULBBUGVYUUBR-UHFFFAOYSA-N 1 2 332.407 3.942 20 0 EHADLO COc1ccccc1C[N@H+](CCO)Cc1cnc(C2CCCC2)s1 ZINC000091790263 1032711289 /nfs/dbraw/zinc/71/12/89/1032711289.db2.gz OEASIKHSYDYHIQ-UHFFFAOYSA-N 1 2 346.496 3.804 20 0 EHADLO COc1ccccc1C[N@@H+](CCO)Cc1cnc(C2CCCC2)s1 ZINC000091790263 1032711303 /nfs/dbraw/zinc/71/13/03/1032711303.db2.gz OEASIKHSYDYHIQ-UHFFFAOYSA-N 1 2 346.496 3.804 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000020544212 1017625998 /nfs/dbraw/zinc/62/59/98/1017625998.db2.gz XIFQRPQMCOUVQO-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CC(C)CO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000325544036 1017649776 /nfs/dbraw/zinc/64/97/76/1017649776.db2.gz AVDWNYBTJVSTEA-MOPGFXCFSA-N 1 2 332.488 3.775 20 0 EHADLO Cc1nc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000413391994 1017656795 /nfs/dbraw/zinc/65/67/95/1017656795.db2.gz HWDSTXGSLIAJED-AWEZNQCLSA-N 1 2 343.393 3.587 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1(C(F)(F)F)CCCC1 ZINC000415188630 1017673152 /nfs/dbraw/zinc/67/31/52/1017673152.db2.gz GBSIQQMBXQIFQI-UHFFFAOYSA-N 1 2 337.345 3.611 20 0 EHADLO C[C@@H]1CCN(c2cc(Cl)nc(C3CCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000892910558 1017706266 /nfs/dbraw/zinc/70/62/66/1017706266.db2.gz FDTRDJPPMDCJRU-TZMCWYRMSA-N 1 2 331.851 3.682 20 0 EHADLO Cc1ccc(NC(=O)c2ccnc3cc(Cl)ccc32)c(N(C)C)[nH+]1 ZINC001266516389 1017745856 /nfs/dbraw/zinc/74/58/56/1017745856.db2.gz YPFDKDMIDOHTCH-UHFFFAOYSA-N 1 2 340.814 3.910 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)cn1 ZINC000340437699 1017799830 /nfs/dbraw/zinc/79/98/30/1017799830.db2.gz WNPVBNWAWCDORK-NXEZZACHSA-N 1 2 339.773 3.691 20 0 EHADLO C[N@H+](CC1CCCCC1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000066792353 1017921583 /nfs/dbraw/zinc/92/15/83/1017921583.db2.gz JVKATKZWTYXODC-UHFFFAOYSA-N 1 2 329.419 3.519 20 0 EHADLO C[N@@H+](CC1CCCCC1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000066792353 1017921590 /nfs/dbraw/zinc/92/15/90/1017921590.db2.gz JVKATKZWTYXODC-UHFFFAOYSA-N 1 2 329.419 3.519 20 0 EHADLO CN(C)c1ncc(C[N@H+](C)Cc2csc(Br)c2)s1 ZINC000092220191 1032729894 /nfs/dbraw/zinc/72/98/94/1032729894.db2.gz KXQLUVIBFXPBNQ-UHFFFAOYSA-N 1 2 346.319 3.665 20 0 EHADLO CN(C)c1ncc(C[N@@H+](C)Cc2csc(Br)c2)s1 ZINC000092220191 1032729904 /nfs/dbraw/zinc/72/99/04/1032729904.db2.gz KXQLUVIBFXPBNQ-UHFFFAOYSA-N 1 2 346.319 3.665 20 0 EHADLO Cc1ccccc1/C=C\C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000255059630 1017982428 /nfs/dbraw/zinc/98/24/28/1017982428.db2.gz GEPQLAORQFTHMD-KHPPLWFESA-N 1 2 347.418 3.922 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2ccco2)n(C)c1=S)c1ccccc1 ZINC000066795481 1018076669 /nfs/dbraw/zinc/07/66/69/1018076669.db2.gz GJRDVBDYLLATSZ-AWEZNQCLSA-N 1 2 342.468 3.904 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2ccco2)n(C)c1=S)c1ccccc1 ZINC000066795481 1018076681 /nfs/dbraw/zinc/07/66/81/1018076681.db2.gz GJRDVBDYLLATSZ-AWEZNQCLSA-N 1 2 342.468 3.904 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2csc(Br)c2)nc(C)n1 ZINC000659855263 1018129767 /nfs/dbraw/zinc/12/97/67/1018129767.db2.gz WXCPCSZEHAQRDD-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2csc(Br)c2)nc(C)n1 ZINC000659855263 1018129775 /nfs/dbraw/zinc/12/97/75/1018129775.db2.gz WXCPCSZEHAQRDD-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)cn2)cc1 ZINC000377661997 1018139755 /nfs/dbraw/zinc/13/97/55/1018139755.db2.gz LDULVMNNQKFVEI-INIZCTEOSA-N 1 2 348.406 3.964 20 0 EHADLO CC1(C)CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCS1 ZINC000580029254 1018215547 /nfs/dbraw/zinc/21/55/47/1018215547.db2.gz WEMGQTOYCYUQTH-UHFFFAOYSA-N 1 2 343.452 3.799 20 0 EHADLO CC1(C)CC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCS1 ZINC000580029254 1018215561 /nfs/dbraw/zinc/21/55/61/1018215561.db2.gz WEMGQTOYCYUQTH-UHFFFAOYSA-N 1 2 343.452 3.799 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4cccc(F)c4[C@H]3C)ccc2[nH+]1 ZINC000606569235 1032752606 /nfs/dbraw/zinc/75/26/06/1032752606.db2.gz GKYNVTLDHGHFOH-CYBMUJFWSA-N 1 2 338.386 3.933 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757521 1032751486 /nfs/dbraw/zinc/75/14/86/1032751486.db2.gz ICIIZWQAMLSAGB-OALUTQOASA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757521 1032751503 /nfs/dbraw/zinc/75/15/03/1032751503.db2.gz ICIIZWQAMLSAGB-OALUTQOASA-N 1 2 331.843 3.665 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000155561252 1018287130 /nfs/dbraw/zinc/28/71/30/1018287130.db2.gz GXGMVZBXWJTAOB-UHFFFAOYSA-N 1 2 339.439 3.602 20 0 EHADLO C[NH+](C)[C@@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656034972 1018299328 /nfs/dbraw/zinc/29/93/28/1018299328.db2.gz QLVDJQYZKIRKJU-QGZVFWFLSA-N 1 2 334.423 3.586 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000052452386 1018350056 /nfs/dbraw/zinc/35/00/56/1018350056.db2.gz URHHUXBBFHRBFL-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000052452386 1018350067 /nfs/dbraw/zinc/35/00/67/1018350067.db2.gz URHHUXBBFHRBFL-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO C[N@H+](CCOCC1CC1)Cc1csc(CCc2ccccc2)n1 ZINC000088601116 1018386089 /nfs/dbraw/zinc/38/60/89/1018386089.db2.gz VICQGUPZWLMYIS-UHFFFAOYSA-N 1 2 330.497 3.787 20 0 EHADLO C[N@@H+](CCOCC1CC1)Cc1csc(CCc2ccccc2)n1 ZINC000088601116 1018386103 /nfs/dbraw/zinc/38/61/03/1018386103.db2.gz VICQGUPZWLMYIS-UHFFFAOYSA-N 1 2 330.497 3.787 20 0 EHADLO Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc3[nH+]ccn3c1)CCC2 ZINC000606581144 1032764319 /nfs/dbraw/zinc/76/43/19/1032764319.db2.gz RUWUWIYCDVWDKB-AWEZNQCLSA-N 1 2 341.440 3.641 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580834 1032764396 /nfs/dbraw/zinc/76/43/96/1032764396.db2.gz GLIIHRGNFGLVMC-ZFWWWQNUSA-N 1 2 338.386 3.883 20 0 EHADLO Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582482 1032765980 /nfs/dbraw/zinc/76/59/80/1032765980.db2.gz RACAVKIJQQYULG-SFHVURJKSA-N 1 2 334.423 3.882 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000606581926 1032768136 /nfs/dbraw/zinc/76/81/36/1032768136.db2.gz WRCIHNZDMFGUCE-CQSZACIVSA-N 1 2 342.399 3.832 20 0 EHADLO Cc1nc([C@@H](C)[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)no1 ZINC000377877069 1018505267 /nfs/dbraw/zinc/50/52/67/1018505267.db2.gz AXXWHQNCFFZYSH-LLVKDONJSA-N 1 2 328.391 3.939 20 0 EHADLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000377889054 1018511600 /nfs/dbraw/zinc/51/16/00/1018511600.db2.gz UEHIYGBOEHHCDH-NSHDSACASA-N 1 2 344.358 3.784 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000377888761 1018520190 /nfs/dbraw/zinc/52/01/90/1018520190.db2.gz RYPZYCZVGBLEAX-ZDUSSCGKSA-N 1 2 349.525 3.565 20 0 EHADLO CCOc1ccc(CN(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000340593070 1018609445 /nfs/dbraw/zinc/60/94/45/1018609445.db2.gz MGWARMKTAHMPDL-UHFFFAOYSA-N 1 2 338.411 3.705 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505333 1018666313 /nfs/dbraw/zinc/66/63/13/1018666313.db2.gz IHWUSAPFNJFLTN-JTQLQIEISA-N 1 2 349.784 3.726 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000683842004 1018826918 /nfs/dbraw/zinc/82/69/18/1018826918.db2.gz OECLXTCHUQPUHB-CYBMUJFWSA-N 1 2 347.459 3.599 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000683842004 1018826938 /nfs/dbraw/zinc/82/69/38/1018826938.db2.gz OECLXTCHUQPUHB-CYBMUJFWSA-N 1 2 347.459 3.599 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)n1cccn1 ZINC000614353571 1018835813 /nfs/dbraw/zinc/83/58/13/1018835813.db2.gz OUAWDRRVQIUTNU-OAHLLOKOSA-N 1 2 349.438 3.673 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683845446 1018858201 /nfs/dbraw/zinc/85/82/01/1018858201.db2.gz CDTGDNHJYFHMFP-JHJVBQTASA-N 1 2 335.860 3.565 20 0 EHADLO C[NH+](C)Cc1csc(CNC(=O)c2cccc(C3CCCC3)c2)n1 ZINC000927761414 1018858556 /nfs/dbraw/zinc/85/85/56/1018858556.db2.gz SHFCSLWLHXKMKF-UHFFFAOYSA-N 1 2 343.496 3.792 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000052247161 1018880936 /nfs/dbraw/zinc/88/09/36/1018880936.db2.gz CPNVMQOMNZTXRE-UHFFFAOYSA-N 1 2 349.862 3.733 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000052247161 1018880948 /nfs/dbraw/zinc/88/09/48/1018880948.db2.gz CPNVMQOMNZTXRE-UHFFFAOYSA-N 1 2 349.862 3.733 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)COC2 ZINC000255291262 1018888183 /nfs/dbraw/zinc/88/81/83/1018888183.db2.gz LPYAQURAXLTCSU-BAQGIRSFSA-N 1 2 331.375 3.554 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCCC4)OC(C)(C)C3)n2)cc1 ZINC000576423951 1018980894 /nfs/dbraw/zinc/98/08/94/1018980894.db2.gz VBGFFMDUBPPJPD-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCCC4)OC(C)(C)C3)n2)cc1 ZINC000576423951 1018980907 /nfs/dbraw/zinc/98/09/07/1018980907.db2.gz VBGFFMDUBPPJPD-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H]3CCCC34CCCCC4)[nH+]cn2)CC1 ZINC000664150559 1018983858 /nfs/dbraw/zinc/98/38/58/1018983858.db2.gz PSTFDGUFZVFFNV-INIZCTEOSA-N 1 2 344.503 3.743 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H]3CCCC34CCCCC4)nc[nH+]2)CC1 ZINC000664150559 1018983869 /nfs/dbraw/zinc/98/38/69/1018983869.db2.gz PSTFDGUFZVFFNV-INIZCTEOSA-N 1 2 344.503 3.743 20 0 EHADLO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000897576440 1032808623 /nfs/dbraw/zinc/80/86/23/1032808623.db2.gz FSTRGGMXSZJMBE-LLVKDONJSA-N 1 2 341.789 3.764 20 0 EHADLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000897576440 1032808634 /nfs/dbraw/zinc/80/86/34/1032808634.db2.gz FSTRGGMXSZJMBE-LLVKDONJSA-N 1 2 341.789 3.764 20 0 EHADLO CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000549921532 1019117321 /nfs/dbraw/zinc/11/73/21/1019117321.db2.gz AITHKZYTHVTGAU-GOSISDBHSA-N 1 2 348.393 3.819 20 0 EHADLO CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000549921532 1019117324 /nfs/dbraw/zinc/11/73/24/1019117324.db2.gz AITHKZYTHVTGAU-GOSISDBHSA-N 1 2 348.393 3.819 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000449562206 1032813926 /nfs/dbraw/zinc/81/39/26/1032813926.db2.gz HXKKQCFJZHDQIL-HNNXBMFYSA-N 1 2 336.439 3.824 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000255501329 1019281592 /nfs/dbraw/zinc/28/15/92/1019281592.db2.gz PQSUWPFXCBAWNO-IHWYPQMZSA-N 1 2 345.446 3.960 20 0 EHADLO c1cc2c(ccnc2-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)[nH]1 ZINC000340685589 1019311580 /nfs/dbraw/zinc/31/15/80/1019311580.db2.gz BQLGXXGJJPXZGD-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO Cc1cc(N2CCC(c3ccc4cccnc4n3)CC2)nc(C2CC2)[nH+]1 ZINC000656214935 1019341071 /nfs/dbraw/zinc/34/10/71/1019341071.db2.gz LPYXXWUYZVTTMB-UHFFFAOYSA-N 1 2 345.450 3.990 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000291668476 1019345683 /nfs/dbraw/zinc/34/56/83/1019345683.db2.gz QZGHVCLQCSZXOV-UHFFFAOYSA-N 1 2 331.847 3.592 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000052710676 1019350873 /nfs/dbraw/zinc/35/08/73/1019350873.db2.gz BNSOVJKYWKTAMC-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000052710676 1019350893 /nfs/dbraw/zinc/35/08/93/1019350893.db2.gz BNSOVJKYWKTAMC-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1cc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH]1 ZINC000340695831 1019411937 /nfs/dbraw/zinc/41/19/37/1019411937.db2.gz KBORVKNGKJRLHN-UHFFFAOYSA-N 1 2 330.391 3.973 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000158792879 1019423104 /nfs/dbraw/zinc/42/31/04/1019423104.db2.gz PPPSDOUGSPJEME-GFCCVEGCSA-N 1 2 327.268 3.681 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000158792879 1019423118 /nfs/dbraw/zinc/42/31/18/1019423118.db2.gz PPPSDOUGSPJEME-GFCCVEGCSA-N 1 2 327.268 3.681 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c(C)c[nH+]1 ZINC000683947430 1019437519 /nfs/dbraw/zinc/43/75/19/1019437519.db2.gz XROVDFFGVKWJLY-AWEZNQCLSA-N 1 2 341.308 3.526 20 0 EHADLO CC1(c2cc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)no2)CCCC1 ZINC000683948626 1019441443 /nfs/dbraw/zinc/44/14/43/1019441443.db2.gz NCRRPQOLQGKGGN-AWEZNQCLSA-N 1 2 343.431 3.572 20 0 EHADLO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F)c1ccccc1 ZINC000513236001 1019461686 /nfs/dbraw/zinc/46/16/86/1019461686.db2.gz HKRLABIYTJOJTO-DJJJIMSYSA-N 1 2 347.409 3.524 20 0 EHADLO C[C@@H](C[NH+]1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000580484955 1019462475 /nfs/dbraw/zinc/46/24/75/1019462475.db2.gz HMOVMWKTRAQSCF-AWEZNQCLSA-N 1 2 348.899 3.963 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513280501 1019498661 /nfs/dbraw/zinc/49/86/61/1019498661.db2.gz AAYVYBJQMMJYPD-GUDVDZBRSA-N 1 2 343.515 3.971 20 0 EHADLO C[C@](O)(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000580543622 1019590750 /nfs/dbraw/zinc/59/07/50/1019590750.db2.gz LZXJXDYRMHYZGV-GJZGRUSLSA-N 1 2 344.764 3.727 20 0 EHADLO CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000564397596 1019715666 /nfs/dbraw/zinc/71/56/66/1019715666.db2.gz YUCURBYQGNNJRH-QGZVFWFLSA-N 1 2 344.455 3.721 20 0 EHADLO CCC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000564397596 1019715683 /nfs/dbraw/zinc/71/56/83/1019715683.db2.gz YUCURBYQGNNJRH-QGZVFWFLSA-N 1 2 344.455 3.721 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000656262100 1019746360 /nfs/dbraw/zinc/74/63/60/1019746360.db2.gz IJCMZEWHGKUHKM-NHCUHLMSSA-N 1 2 337.467 3.633 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000656262100 1019746381 /nfs/dbraw/zinc/74/63/81/1019746381.db2.gz IJCMZEWHGKUHKM-NHCUHLMSSA-N 1 2 337.467 3.633 20 0 EHADLO C[C@@H](CC(=O)NCC1(c2ccc(F)cc2F)CCCC1)n1cc[nH+]c1 ZINC000580650394 1019791324 /nfs/dbraw/zinc/79/13/24/1019791324.db2.gz XKRSQBIJNPOWRU-AWEZNQCLSA-N 1 2 347.409 3.741 20 0 EHADLO C[C@H]1C[C@@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC(C)(C)C1 ZINC000580720281 1019907460 /nfs/dbraw/zinc/90/74/60/1019907460.db2.gz BGUZOLPXMKRXSV-GOEBONIOSA-N 1 2 326.444 3.727 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000340743992 1019911684 /nfs/dbraw/zinc/91/16/84/1019911684.db2.gz WOETVQQMIGVWKL-GJYPPUQNSA-N 1 2 328.456 3.621 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2oc3ccc(F)cc3c2C)c1C ZINC000050449053 1019929038 /nfs/dbraw/zinc/92/90/38/1019929038.db2.gz IVPUZSRAGGZBMJ-UHFFFAOYSA-N 1 2 342.370 3.831 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ccc(Cl)cc2)c1C ZINC000050448040 1019930426 /nfs/dbraw/zinc/93/04/26/1019930426.db2.gz NTBJKXBJROJZOR-UHFFFAOYSA-N 1 2 346.858 4.000 20 0 EHADLO Clc1ccc([C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000434084446 1019934446 /nfs/dbraw/zinc/93/44/46/1019934446.db2.gz JBYTUEGBPABTPP-HNNXBMFYSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1ccc([C@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000434084446 1019934454 /nfs/dbraw/zinc/93/44/54/1019934454.db2.gz JBYTUEGBPABTPP-HNNXBMFYSA-N 1 2 328.847 3.724 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](CC)Nc1ccccc1 ZINC000430502206 1019940547 /nfs/dbraw/zinc/94/05/47/1019940547.db2.gz BGFUNTFPWQQBJX-SFHVURJKSA-N 1 2 342.487 3.575 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(=O)CC)cc1 ZINC000430509166 1019975719 /nfs/dbraw/zinc/97/57/19/1019975719.db2.gz NBPCCBKHAXXKLP-UHFFFAOYSA-N 1 2 341.455 3.591 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)[C@@H]1C ZINC000345173934 1020009002 /nfs/dbraw/zinc/00/90/02/1020009002.db2.gz WPNWRZRMMSRACD-NXEZZACHSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)[C@@H]1C ZINC000345173934 1020009007 /nfs/dbraw/zinc/00/90/07/1020009007.db2.gz WPNWRZRMMSRACD-NXEZZACHSA-N 1 2 344.274 3.504 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000280083474 1020043448 /nfs/dbraw/zinc/04/34/48/1020043448.db2.gz RLIZIJJUZAYEFF-UHFFFAOYSA-N 1 2 341.484 3.848 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cc(Cl)ccc2Br)o1 ZINC000449607856 1032874915 /nfs/dbraw/zinc/87/49/15/1032874915.db2.gz CPIUVWDMTLNLCK-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@H]4C)cc3)cc2[nH+]1 ZINC000048129946 1020098403 /nfs/dbraw/zinc/09/84/03/1020098403.db2.gz HMMRZHXJUKMOKB-BDJLRTHQSA-N 1 2 348.406 3.718 20 0 EHADLO OCC[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000606892141 1032875145 /nfs/dbraw/zinc/87/51/45/1032875145.db2.gz IYJGZPXFBCUNKL-LBPRGKRZSA-N 1 2 335.245 3.596 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000163125993 1020125938 /nfs/dbraw/zinc/12/59/38/1020125938.db2.gz LLRIQIQSXKYUFO-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000163125993 1020125940 /nfs/dbraw/zinc/12/59/40/1020125940.db2.gz LLRIQIQSXKYUFO-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000345342462 1020161707 /nfs/dbraw/zinc/16/17/07/1020161707.db2.gz DRIITFXVDGCFOZ-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc(C)c1F ZINC001143382235 1020188862 /nfs/dbraw/zinc/18/88/62/1020188862.db2.gz WZTRGFNQGDNMNY-UHFFFAOYSA-N 1 2 333.838 3.813 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C1CC1 ZINC000602454482 1032883180 /nfs/dbraw/zinc/88/31/80/1032883180.db2.gz MHXUFZJXFBMUJH-ZDUSSCGKSA-N 1 2 345.443 3.694 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C1CC1 ZINC000602454482 1032883188 /nfs/dbraw/zinc/88/31/88/1032883188.db2.gz MHXUFZJXFBMUJH-ZDUSSCGKSA-N 1 2 345.443 3.694 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)[C@@H](C)c3cccc(O)c3)nc(N)c2c1C ZINC000093193244 1032884220 /nfs/dbraw/zinc/88/42/20/1032884220.db2.gz XNKMFKFIRBVPDI-NSHDSACASA-N 1 2 342.468 3.789 20 0 EHADLO Cc1sc2nc(C[N@H+](C)[C@@H](C)c3cccc(O)c3)nc(N)c2c1C ZINC000093193244 1032884234 /nfs/dbraw/zinc/88/42/34/1032884234.db2.gz XNKMFKFIRBVPDI-NSHDSACASA-N 1 2 342.468 3.789 20 0 EHADLO COc1coc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1=O ZINC000280259630 1020227636 /nfs/dbraw/zinc/22/76/36/1020227636.db2.gz PKGFJXHXCTWIHB-UHFFFAOYSA-N 1 2 331.799 3.591 20 0 EHADLO COc1coc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1=O ZINC000280259630 1020227644 /nfs/dbraw/zinc/22/76/44/1020227644.db2.gz PKGFJXHXCTWIHB-UHFFFAOYSA-N 1 2 331.799 3.591 20 0 EHADLO CCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000345419885 1020234431 /nfs/dbraw/zinc/23/44/31/1020234431.db2.gz CJJYECAKVVVDIT-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccccc3C)C2)c(C)[nH+]1 ZINC000574252131 1032885445 /nfs/dbraw/zinc/88/54/45/1032885445.db2.gz MLEMLJCLSOTNOH-SFHVURJKSA-N 1 2 339.439 3.921 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000580944673 1020284040 /nfs/dbraw/zinc/28/40/40/1020284040.db2.gz CAJMLWKMTQHKNP-KRWDZBQOSA-N 1 2 333.378 3.829 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345461438 1020299394 /nfs/dbraw/zinc/29/93/94/1020299394.db2.gz QFBAAXZJHZBWNW-INIZCTEOSA-N 1 2 338.432 3.519 20 0 EHADLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000280362407 1020323331 /nfs/dbraw/zinc/32/33/31/1020323331.db2.gz URXGLHKULUFJDV-RLFYNMQTSA-N 1 2 348.512 3.630 20 0 EHADLO CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000280373490 1020331602 /nfs/dbraw/zinc/33/16/02/1020331602.db2.gz YJFGAXQFSIUSHX-CVEARBPZSA-N 1 2 327.428 3.919 20 0 EHADLO Cc1ccc(N(Cc2ccco2)C(=O)CCc2c[nH+]cn2C)cc1C ZINC000280444172 1020385448 /nfs/dbraw/zinc/38/54/48/1020385448.db2.gz FPOSQSJOJVHOKW-UHFFFAOYSA-N 1 2 337.423 3.796 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145768 1020429181 /nfs/dbraw/zinc/42/91/81/1020429181.db2.gz SKUMLZDSLXELAX-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145768 1020429184 /nfs/dbraw/zinc/42/91/84/1020429184.db2.gz SKUMLZDSLXELAX-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000280492993 1020433995 /nfs/dbraw/zinc/43/39/95/1020433995.db2.gz KLMZZVRSZUHVCT-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO CCCCOc1cc(OC)ccc1C(=O)NNc1cc[nH+]cc1Cl ZINC000187741549 1020483630 /nfs/dbraw/zinc/48/36/30/1020483630.db2.gz XPYIMQPQPPNSTF-UHFFFAOYSA-N 1 2 349.818 3.679 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000933099832 1020505611 /nfs/dbraw/zinc/50/56/11/1020505611.db2.gz HDIMHWLZENDURP-CYBMUJFWSA-N 1 2 334.370 3.769 20 0 EHADLO C[C@@H]1C[C@@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890556 1020524582 /nfs/dbraw/zinc/52/45/82/1020524582.db2.gz JCFFJPGHMIRACD-KGLIPLIRSA-N 1 2 349.837 3.751 20 0 EHADLO C[N@H+](Cc1csc(C2CCCC2)n1)[C@H](CC(N)=O)c1ccccc1 ZINC000280613648 1020525654 /nfs/dbraw/zinc/52/56/54/1020525654.db2.gz WBUHLHMMKHMZDS-QGZVFWFLSA-N 1 2 343.496 3.849 20 0 EHADLO C[N@@H+](Cc1csc(C2CCCC2)n1)[C@H](CC(N)=O)c1ccccc1 ZINC000280613648 1020525660 /nfs/dbraw/zinc/52/56/60/1020525660.db2.gz WBUHLHMMKHMZDS-QGZVFWFLSA-N 1 2 343.496 3.849 20 0 EHADLO CC1(C)CCCc2sc(NC(=O)NCCCCn3cc[nH+]c3)nc21 ZINC000581221390 1020538939 /nfs/dbraw/zinc/53/89/39/1020538939.db2.gz SBEPAQMHKRSHGU-UHFFFAOYSA-N 1 2 347.488 3.555 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481955 1032911132 /nfs/dbraw/zinc/91/11/32/1032911132.db2.gz CILMHGYTXZWQDA-IZHWHUGBSA-N 1 2 345.512 3.614 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481955 1032911143 /nfs/dbraw/zinc/91/11/43/1032911143.db2.gz CILMHGYTXZWQDA-IZHWHUGBSA-N 1 2 345.512 3.614 20 0 EHADLO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000358114905 1032911897 /nfs/dbraw/zinc/91/18/97/1032911897.db2.gz HAQRBIRSTHEORC-MRXNPFEDSA-N 1 2 348.450 3.990 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@@H](OC2CCCC2)C(F)(F)F)[nH+]1 ZINC000664229498 1020610545 /nfs/dbraw/zinc/61/05/45/1020610545.db2.gz DVRCKSVYNPFXPP-GFCCVEGCSA-N 1 2 328.338 3.568 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340936325 1020651255 /nfs/dbraw/zinc/65/12/55/1020651255.db2.gz OTUMEIPFXNXVKP-HOTGVXAUSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000684209444 1020751521 /nfs/dbraw/zinc/75/15/21/1020751521.db2.gz BKHLPVYQKSJJCE-AAEUAGOBSA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000684209444 1020751526 /nfs/dbraw/zinc/75/15/26/1020751526.db2.gz BKHLPVYQKSJJCE-AAEUAGOBSA-N 1 2 325.334 3.818 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1)C(F)(F)F ZINC000639666168 1020781007 /nfs/dbraw/zinc/78/10/07/1020781007.db2.gz QADPQBPJVDVWCI-JVXZTZIISA-N 1 2 346.151 3.878 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1)C(F)(F)F ZINC000639666168 1020781015 /nfs/dbraw/zinc/78/10/15/1020781015.db2.gz QADPQBPJVDVWCI-JVXZTZIISA-N 1 2 346.151 3.878 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC000160885176 1020801810 /nfs/dbraw/zinc/80/18/10/1020801810.db2.gz OVOFRGOAYOZOJW-UHFFFAOYSA-N 1 2 347.459 3.699 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000187403679 1020802674 /nfs/dbraw/zinc/80/26/74/1020802674.db2.gz JGPQHHHOGSXXFJ-VQTJNVASSA-N 1 2 340.467 3.585 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2ccccn21)[C@H](CCO)c1ccccc1 ZINC000093442366 1032936251 /nfs/dbraw/zinc/93/62/51/1032936251.db2.gz DJTVMSUWIIWWPP-OAHLLOKOSA-N 1 2 329.831 3.543 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2ccccn21)[C@H](CCO)c1ccccc1 ZINC000093442366 1032936272 /nfs/dbraw/zinc/93/62/72/1032936272.db2.gz DJTVMSUWIIWWPP-OAHLLOKOSA-N 1 2 329.831 3.543 20 0 EHADLO c1ccc2c(c1)CO[C@]21CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000548165374 1020838768 /nfs/dbraw/zinc/83/87/68/1020838768.db2.gz JWIZYHARWPVEMI-FQEVSTJZSA-N 1 2 339.439 3.749 20 0 EHADLO c1ccc2c(c1)CO[C@]21CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000548165374 1020838776 /nfs/dbraw/zinc/83/87/76/1020838776.db2.gz JWIZYHARWPVEMI-FQEVSTJZSA-N 1 2 339.439 3.749 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000124037843 1020879527 /nfs/dbraw/zinc/87/95/27/1020879527.db2.gz RFBQLPWVLJHGGP-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2CCC2(C)C)cc1OC ZINC000093460226 1032937777 /nfs/dbraw/zinc/93/77/77/1032937777.db2.gz MFENFOWZXCUOLA-UHFFFAOYSA-N 1 2 328.250 3.841 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2CCC2(C)C)cc1OC ZINC000093460226 1032937792 /nfs/dbraw/zinc/93/77/92/1032937792.db2.gz MFENFOWZXCUOLA-UHFFFAOYSA-N 1 2 328.250 3.841 20 0 EHADLO CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1 ZINC000114231325 1032940713 /nfs/dbraw/zinc/94/07/13/1032940713.db2.gz AYSBNXVRJSMUIJ-UHFFFAOYSA-N 1 2 343.452 3.635 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000891402196 1020922842 /nfs/dbraw/zinc/92/28/42/1020922842.db2.gz OQCXESGZMQXDEK-INIZCTEOSA-N 1 2 342.443 3.714 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000891402196 1020922847 /nfs/dbraw/zinc/92/28/47/1020922847.db2.gz OQCXESGZMQXDEK-INIZCTEOSA-N 1 2 342.443 3.714 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1c[nH+]cn1C ZINC000754684907 1020927512 /nfs/dbraw/zinc/92/75/12/1020927512.db2.gz LUTQHNQOOSKYOP-UHFFFAOYSA-N 1 2 347.827 3.862 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000341076895 1020956943 /nfs/dbraw/zinc/95/69/43/1020956943.db2.gz UURFVRRJKLXHHN-IBGZPJMESA-N 1 2 340.398 3.631 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000341076895 1020956951 /nfs/dbraw/zinc/95/69/51/1020956951.db2.gz UURFVRRJKLXHHN-IBGZPJMESA-N 1 2 340.398 3.631 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000471661809 1020963905 /nfs/dbraw/zinc/96/39/05/1020963905.db2.gz HLNGHAJYCSEYPM-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1F ZINC000137543144 1032943356 /nfs/dbraw/zinc/94/33/56/1032943356.db2.gz MUYFCHMZUSYPGD-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccccc1F ZINC000137543144 1032943368 /nfs/dbraw/zinc/94/33/68/1032943368.db2.gz MUYFCHMZUSYPGD-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606982880 1032948905 /nfs/dbraw/zinc/94/89/05/1032948905.db2.gz LTMZUPQCPSGLDY-KRWDZBQOSA-N 1 2 326.444 3.737 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000449643328 1032951669 /nfs/dbraw/zinc/95/16/69/1032951669.db2.gz AHRIJUINMZHWAC-UONOGXRCSA-N 1 2 343.496 3.722 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000449643329 1032952115 /nfs/dbraw/zinc/95/21/15/1032952115.db2.gz AHRIJUINMZHWAC-ZIAGYGMSSA-N 1 2 343.496 3.722 20 0 EHADLO Cc1ccccc1CC1C[NH+](Cc2cncc(Br)c2)C1 ZINC000656649111 1021083186 /nfs/dbraw/zinc/08/31/86/1021083186.db2.gz SPFUHRSWMYVHNZ-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(Nc4cnn(C)c4)c3)cc2[nH+]1 ZINC000341226558 1021134283 /nfs/dbraw/zinc/13/42/83/1021134283.db2.gz JDILJHWRQJJEFC-UHFFFAOYSA-N 1 2 346.394 3.601 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCc2ccccc2F)n1 ZINC000074990612 1021137426 /nfs/dbraw/zinc/13/74/26/1021137426.db2.gz OOIBYOVRHBHQSN-AWEZNQCLSA-N 1 2 335.423 3.617 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCc2ccccc2F)n1 ZINC000074990612 1021137430 /nfs/dbraw/zinc/13/74/30/1021137430.db2.gz OOIBYOVRHBHQSN-AWEZNQCLSA-N 1 2 335.423 3.617 20 0 EHADLO CCCc1csc(C[NH2+][C@H](COC)c2ccc(OCC)cc2)n1 ZINC000341234476 1021145306 /nfs/dbraw/zinc/14/53/06/1021145306.db2.gz AVQNWZIJLIGTFK-QGZVFWFLSA-N 1 2 334.485 3.972 20 0 EHADLO CCc1noc(C)c1-c1noc([C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000581617995 1021158512 /nfs/dbraw/zinc/15/85/12/1021158512.db2.gz MPQRALXNTJLSDS-HNNXBMFYSA-N 1 2 346.818 3.900 20 0 EHADLO Cc1cc(/C=C/c2nc(Cc3c[nH+]cn3C)no2)ccc1OC(C)C ZINC000581633419 1021213156 /nfs/dbraw/zinc/21/31/56/1021213156.db2.gz PIFHKTGVSHPDFF-SOFGYWHQSA-N 1 2 338.411 3.660 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C2CC2)cn1 ZINC000528852309 1032963698 /nfs/dbraw/zinc/96/36/98/1032963698.db2.gz ZZMGJFDORYJNND-NHYWBVRUSA-N 1 2 330.432 3.573 20 0 EHADLO CC(=O)c1c(C)cccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000439252710 1021271327 /nfs/dbraw/zinc/27/13/27/1021271327.db2.gz QTIVQSJIGMWSRV-UHFFFAOYSA-N 1 2 333.391 3.695 20 0 EHADLO Brc1ccc2[nH]c(NCc3ccnn3CC3CC3)[nH+]c2c1 ZINC000656773494 1021316281 /nfs/dbraw/zinc/31/62/81/1021316281.db2.gz VHNABBONGXCXKR-UHFFFAOYSA-N 1 2 346.232 3.544 20 0 EHADLO Brc1ccc2[nH+]c(NCc3ccnn3CC3CC3)[nH]c2c1 ZINC000656773494 1021316299 /nfs/dbraw/zinc/31/62/99/1021316299.db2.gz VHNABBONGXCXKR-UHFFFAOYSA-N 1 2 346.232 3.544 20 0 EHADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636869 1032970096 /nfs/dbraw/zinc/97/00/96/1032970096.db2.gz XNMLEXOLJHJNLO-GHMZBOCLSA-N 1 2 325.321 3.757 20 0 EHADLO COc1cccc(Nc2ccc(NCc3c(C)nn(C)c3C)[nH+]c2)c1 ZINC000656780917 1021322345 /nfs/dbraw/zinc/32/23/45/1021322345.db2.gz NAOBVWMYEQRJEL-UHFFFAOYSA-N 1 2 337.427 3.796 20 0 EHADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636869 1032970103 /nfs/dbraw/zinc/97/01/03/1032970103.db2.gz XNMLEXOLJHJNLO-GHMZBOCLSA-N 1 2 325.321 3.757 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000652733450 1021342349 /nfs/dbraw/zinc/34/23/49/1021342349.db2.gz HUSKUMOFIRLKQU-GOSISDBHSA-N 1 2 331.847 3.538 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)o2)c(C)o1 ZINC000341290467 1021354925 /nfs/dbraw/zinc/35/49/25/1021354925.db2.gz GBDWYQBIWLBEBH-LLVKDONJSA-N 1 2 341.367 3.526 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000664871986 1021367791 /nfs/dbraw/zinc/36/77/91/1021367791.db2.gz FURAIFPEZBZXHJ-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000664871986 1021367809 /nfs/dbraw/zinc/36/78/09/1021367809.db2.gz FURAIFPEZBZXHJ-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2[nH+]1 ZINC000341295572 1021371945 /nfs/dbraw/zinc/37/19/45/1021371945.db2.gz XXUBYGSULFCFND-NWDGAFQWSA-N 1 2 327.334 3.892 20 0 EHADLO C[C@@]1([NH2+]Cc2nc(-c3cccs3)no2)CCOc2ccccc21 ZINC000933365336 1021396031 /nfs/dbraw/zinc/39/60/31/1021396031.db2.gz WVCRRLVRHWLCNY-QGZVFWFLSA-N 1 2 327.409 3.586 20 0 EHADLO O=C(N1CCC(CCCn2cc[nH+]c2)CC1)C1(c2ccccc2)CC1 ZINC000341311197 1021412203 /nfs/dbraw/zinc/41/22/03/1021412203.db2.gz MEHUQPJUBKXLOD-UHFFFAOYSA-N 1 2 337.467 3.634 20 0 EHADLO CCC[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449654137 1032982262 /nfs/dbraw/zinc/98/22/62/1032982262.db2.gz DODLCUDKHDNAFA-JKSUJKDBSA-N 1 2 330.463 3.734 20 0 EHADLO Cc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000139480842 1032982724 /nfs/dbraw/zinc/98/27/24/1032982724.db2.gz MAECVNKEBRXJPX-QGZVFWFLSA-N 1 2 348.450 3.928 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480079 1021488875 /nfs/dbraw/zinc/48/88/75/1021488875.db2.gz BWKULRPASAQHMC-RYUDHWBXSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480079 1021488884 /nfs/dbraw/zinc/48/88/84/1021488884.db2.gz BWKULRPASAQHMC-RYUDHWBXSA-N 1 2 345.270 3.821 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000015296290 1021540006 /nfs/dbraw/zinc/54/00/06/1021540006.db2.gz HCXMTYCETBEPGM-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000015296290 1021540015 /nfs/dbraw/zinc/54/00/15/1021540015.db2.gz HCXMTYCETBEPGM-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO Cc1ccc(C(=O)N(C)c2ccc(OCc3c[nH+]cn3C)cc2)cc1 ZINC000439552397 1021540138 /nfs/dbraw/zinc/54/01/38/1021540138.db2.gz USVMVPOBJGWOFK-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO COc1cccc2c(NCc3cccc(N4CCC4=O)c3)cc[nH+]c12 ZINC000440557077 1021600982 /nfs/dbraw/zinc/60/09/82/1021600982.db2.gz UHUYEEJOLSVWAI-UHFFFAOYSA-N 1 2 333.391 3.592 20 0 EHADLO CC[C@@H](F)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000440564676 1021619042 /nfs/dbraw/zinc/61/90/42/1021619042.db2.gz KCIUVNGFMLEOBV-CQSZACIVSA-N 1 2 334.464 3.703 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2cc3cnccc3o2)[C@@H]1C(=O)OC(C)(C)C ZINC000593638884 1032995617 /nfs/dbraw/zinc/99/56/17/1032995617.db2.gz OUCWIBGGCWEYBV-DYVFJYSZSA-N 1 2 330.428 3.770 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)[C@@H]1C(=O)OC(C)(C)C ZINC000593638884 1032995633 /nfs/dbraw/zinc/99/56/33/1032995633.db2.gz OUCWIBGGCWEYBV-DYVFJYSZSA-N 1 2 330.428 3.770 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(CSC3CCOCC3)c2)n1C ZINC000341386268 1021649626 /nfs/dbraw/zinc/64/96/26/1021649626.db2.gz GALDTQHIBHQCQR-UHFFFAOYSA-N 1 2 331.485 3.753 20 0 EHADLO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ncccn2)CCC3)cc1 ZINC000581737610 1021654680 /nfs/dbraw/zinc/65/46/80/1021654680.db2.gz MOLFIPUFEBTCOK-CQSZACIVSA-N 1 2 340.427 3.906 20 0 EHADLO Cc1cc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1F ZINC000341389624 1021660753 /nfs/dbraw/zinc/66/07/53/1021660753.db2.gz VMTWRSFVIYDULT-KRWDZBQOSA-N 1 2 337.398 3.696 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000634734398 1021677655 /nfs/dbraw/zinc/67/76/55/1021677655.db2.gz FDAQCVKYTRRNHJ-LBPRGKRZSA-N 1 2 341.732 3.797 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000634734398 1021677661 /nfs/dbraw/zinc/67/76/61/1021677661.db2.gz FDAQCVKYTRRNHJ-LBPRGKRZSA-N 1 2 341.732 3.797 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3sccc3C2)c(OC(F)F)c1 ZINC000506663935 1021682124 /nfs/dbraw/zinc/68/21/24/1021682124.db2.gz TVGCMHFARBHXBB-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCc3sccc3C2)c(OC(F)F)c1 ZINC000506663935 1021682129 /nfs/dbraw/zinc/68/21/29/1021682129.db2.gz TVGCMHFARBHXBB-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1Cc1ccccc1 ZINC000516712825 1021683964 /nfs/dbraw/zinc/68/39/64/1021683964.db2.gz IBHKKQCZSYERPK-UHFFFAOYSA-N 1 2 333.435 3.684 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2(c3ccc4c(c3)OCO4)CC2)c(C)[nH+]1 ZINC000519803862 1021694250 /nfs/dbraw/zinc/69/42/50/1021694250.db2.gz IBNPRWHSXLLNQH-UHFFFAOYSA-N 1 2 339.395 3.546 20 0 EHADLO FC(F)c1nnc2n1CC[N@@H+](CCc1cccc(Cl)c1Cl)C2 ZINC000579068736 1021696951 /nfs/dbraw/zinc/69/69/51/1021696951.db2.gz ZCQZWONODLDORJ-UHFFFAOYSA-N 1 2 347.196 3.581 20 0 EHADLO FC(F)c1nnc2n1CC[N@H+](CCc1cccc(Cl)c1Cl)C2 ZINC000579068736 1021696957 /nfs/dbraw/zinc/69/69/57/1021696957.db2.gz ZCQZWONODLDORJ-UHFFFAOYSA-N 1 2 347.196 3.581 20 0 EHADLO C[C@@H](SCCCn1ccnc1)[C@@H](C)SCCCn1cc[nH+]c1 ZINC000276544788 1021703768 /nfs/dbraw/zinc/70/37/68/1021703768.db2.gz HVTVKXOXFYQIBU-HZPDHXFCSA-N 1 2 338.546 3.803 20 0 EHADLO C[C@H](SCCCn1ccnc1)[C@H](C)SCCCn1cc[nH+]c1 ZINC000276544785 1021704782 /nfs/dbraw/zinc/70/47/82/1021704782.db2.gz HVTVKXOXFYQIBU-HOTGVXAUSA-N 1 2 338.546 3.803 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2c(C)cccc2C)nc(C2CCC2)[nH+]1 ZINC000891483561 1021734576 /nfs/dbraw/zinc/73/45/76/1021734576.db2.gz VIYDMDQXCYWPOJ-UHFFFAOYSA-N 1 2 338.455 3.744 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000506686478 1021742604 /nfs/dbraw/zinc/74/26/04/1021742604.db2.gz GGMSIPQGGSUANA-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000506686478 1021742619 /nfs/dbraw/zinc/74/26/19/1021742619.db2.gz GGMSIPQGGSUANA-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3ncnn3CCF)cc2)cs1 ZINC000440782335 1021776372 /nfs/dbraw/zinc/77/63/72/1021776372.db2.gz JWDDVQFDSCOIIM-LBPRGKRZSA-N 1 2 345.447 3.530 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000449666335 1033004342 /nfs/dbraw/zinc/00/43/42/1033004342.db2.gz SDPWRYXTSHVAQI-ZOODHJKOSA-N 1 2 340.261 3.625 20 0 EHADLO C[C@H](CC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)n1cc[nH+]c1 ZINC000516871274 1021803065 /nfs/dbraw/zinc/80/30/65/1021803065.db2.gz GQVJVFRRVIRXHR-CQSZACIVSA-N 1 2 347.409 3.594 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000341423992 1021836817 /nfs/dbraw/zinc/83/68/17/1021836817.db2.gz NEYMNRPVFDAJLC-CYBMUJFWSA-N 1 2 340.452 3.617 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCO[C@H](CC(F)(F)F)C1 ZINC000664633655 1021846912 /nfs/dbraw/zinc/84/69/12/1021846912.db2.gz YRFDTEJRDSIAFJ-GFCCVEGCSA-N 1 2 340.345 3.709 20 0 EHADLO CC(C)([NH2+]Cc1cc2cccnc2o1)c1cc(C(F)(F)F)on1 ZINC000516950737 1021884115 /nfs/dbraw/zinc/88/41/15/1021884115.db2.gz SHABSVMAWKWXMJ-UHFFFAOYSA-N 1 2 325.290 3.860 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440939394 1021885832 /nfs/dbraw/zinc/88/58/32/1021885832.db2.gz CIDONYFVDMGSJF-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440939394 1021885845 /nfs/dbraw/zinc/88/58/45/1021885845.db2.gz CIDONYFVDMGSJF-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2c1 ZINC000440964444 1021895001 /nfs/dbraw/zinc/89/50/01/1021895001.db2.gz FOHIXFPCNWCKOX-HUUCEWRRSA-N 1 2 332.469 3.837 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2c1 ZINC000440964444 1021895017 /nfs/dbraw/zinc/89/50/17/1021895017.db2.gz FOHIXFPCNWCKOX-HUUCEWRRSA-N 1 2 332.469 3.837 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000440969189 1021906899 /nfs/dbraw/zinc/90/68/99/1021906899.db2.gz OXVNYOVEDTVHGQ-GGPKGHCWSA-N 1 2 344.499 3.532 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000440969189 1021906903 /nfs/dbraw/zinc/90/69/03/1021906903.db2.gz OXVNYOVEDTVHGQ-GGPKGHCWSA-N 1 2 344.499 3.532 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cnn(-c2ccccn2)c1C)c1ccc(C)o1 ZINC000156397443 1021910014 /nfs/dbraw/zinc/91/00/14/1021910014.db2.gz UZRFKLGIDWTSSF-PBHICJAKSA-N 1 2 340.427 3.515 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(Cl)c(C)nn2C)cc1OC ZINC000891554479 1021915732 /nfs/dbraw/zinc/91/57/32/1021915732.db2.gz ISLFJROVAVQMNA-AWEZNQCLSA-N 1 2 349.862 3.736 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(Cl)c(C)nn2C)cc1OC ZINC000891554479 1021915741 /nfs/dbraw/zinc/91/57/41/1021915741.db2.gz ISLFJROVAVQMNA-AWEZNQCLSA-N 1 2 349.862 3.736 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccnc(OC)c2F)cc1OC ZINC000891555401 1021920821 /nfs/dbraw/zinc/92/08/21/1021920821.db2.gz RGSDBSVYLIXWDB-OAHLLOKOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(OC)c2F)cc1OC ZINC000891555401 1021920831 /nfs/dbraw/zinc/92/08/31/1021920831.db2.gz RGSDBSVYLIXWDB-OAHLLOKOSA-N 1 2 346.402 3.584 20 0 EHADLO C[N@H+](Cc1ncc(Br)cc1Br)[C@H]1CC1(C)C ZINC000426561301 1021928691 /nfs/dbraw/zinc/92/86/91/1021928691.db2.gz UUDUYVATXDHREJ-NSHDSACASA-N 1 2 348.082 3.837 20 0 EHADLO C[N@@H+](Cc1ncc(Br)cc1Br)[C@H]1CC1(C)C ZINC000426561301 1021928699 /nfs/dbraw/zinc/92/86/99/1021928699.db2.gz UUDUYVATXDHREJ-NSHDSACASA-N 1 2 348.082 3.837 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000276596480 1021939232 /nfs/dbraw/zinc/93/92/32/1021939232.db2.gz DSQOXIMQVDOTKZ-MJGOQNOKSA-N 1 2 337.467 3.723 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C2 ZINC000441063339 1021951172 /nfs/dbraw/zinc/95/11/72/1021951172.db2.gz GSDHOQXZQSQWBU-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C2 ZINC000441063339 1021951184 /nfs/dbraw/zinc/95/11/84/1021951184.db2.gz GSDHOQXZQSQWBU-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)ccc1F ZINC000506760192 1021953404 /nfs/dbraw/zinc/95/34/04/1021953404.db2.gz SSHOPLVPJIMLSY-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)ccc1F ZINC000506760192 1021953411 /nfs/dbraw/zinc/95/34/11/1021953411.db2.gz SSHOPLVPJIMLSY-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000517023305 1021954613 /nfs/dbraw/zinc/95/46/13/1021954613.db2.gz NROKITGRWPWZFH-SAABIXHNSA-N 1 2 327.403 3.583 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCCC12CCC2 ZINC000581869555 1021960233 /nfs/dbraw/zinc/96/02/33/1021960233.db2.gz KRKCLOZFBJEDTN-UHFFFAOYSA-N 1 2 344.846 3.754 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437578488 1021964323 /nfs/dbraw/zinc/96/43/23/1021964323.db2.gz NKUTZBMAMMTUKS-WBVHZDCISA-N 1 2 338.476 3.961 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437578488 1021964328 /nfs/dbraw/zinc/96/43/28/1021964328.db2.gz NKUTZBMAMMTUKS-WBVHZDCISA-N 1 2 338.476 3.961 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000593723602 1033019567 /nfs/dbraw/zinc/01/95/67/1033019567.db2.gz ZTPJAYSFVMBVBN-VBKZILBWSA-N 1 2 343.471 3.668 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520172540 1021988566 /nfs/dbraw/zinc/98/85/66/1021988566.db2.gz NCYFZAMOYZQSRM-MRXNPFEDSA-N 1 2 328.431 3.743 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000520172540 1021988580 /nfs/dbraw/zinc/98/85/80/1021988580.db2.gz NCYFZAMOYZQSRM-MRXNPFEDSA-N 1 2 328.431 3.743 20 0 EHADLO Fc1ccc(-c2ccn(Cc3c[nH+]cn3Cc3ccccc3)n2)cc1 ZINC000437607482 1021992420 /nfs/dbraw/zinc/99/24/20/1021992420.db2.gz VKTZGDZXTTXHCS-UHFFFAOYSA-N 1 2 332.382 3.982 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000517079287 1022011969 /nfs/dbraw/zinc/01/19/69/1022011969.db2.gz GINFTYIEIKPTOY-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000248005926 1022029650 /nfs/dbraw/zinc/02/96/50/1022029650.db2.gz GRJUMANGGCWEBO-AWEZNQCLSA-N 1 2 337.822 3.659 20 0 EHADLO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000248005926 1022029667 /nfs/dbraw/zinc/02/96/67/1022029667.db2.gz GRJUMANGGCWEBO-AWEZNQCLSA-N 1 2 337.822 3.659 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000341506978 1022047068 /nfs/dbraw/zinc/04/70/68/1022047068.db2.gz OBRDSKQCCZMNMF-GHMZBOCLSA-N 1 2 343.349 3.985 20 0 EHADLO c1ccc(-c2nnc(C[NH2+]Cc3cccc4c3NCCC4)s2)cc1 ZINC000894340572 1022059962 /nfs/dbraw/zinc/05/99/62/1022059962.db2.gz PVJKBXASIYDCPI-UHFFFAOYSA-N 1 2 336.464 3.853 20 0 EHADLO CCCCC1(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000933555676 1022094349 /nfs/dbraw/zinc/09/43/49/1022094349.db2.gz MWVMWJQRRMNGHI-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2ccn(C(C)C)n2)s1 ZINC000520344370 1022160799 /nfs/dbraw/zinc/16/07/99/1022160799.db2.gz RKSOHOFEELHTBS-UHFFFAOYSA-N 1 2 328.279 3.886 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000581893116 1022170801 /nfs/dbraw/zinc/17/08/01/1022170801.db2.gz IGEVLHUYAZXICQ-ZIAGYGMSSA-N 1 2 331.485 3.966 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000581893116 1022170808 /nfs/dbraw/zinc/17/08/08/1022170808.db2.gz IGEVLHUYAZXICQ-ZIAGYGMSSA-N 1 2 331.485 3.966 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCOc2c(C)cccc2C)n1 ZINC000441354770 1022170708 /nfs/dbraw/zinc/17/07/08/1022170708.db2.gz IQBVTCYQYNJAOW-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCOc2c(C)cccc2C)n1 ZINC000441354770 1022170724 /nfs/dbraw/zinc/17/07/24/1022170724.db2.gz IQBVTCYQYNJAOW-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000891645021 1022202058 /nfs/dbraw/zinc/20/20/58/1022202058.db2.gz GDGDRAMTYHAGEN-UHFFFAOYSA-N 1 2 343.858 3.568 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000891645021 1022202070 /nfs/dbraw/zinc/20/20/70/1022202070.db2.gz GDGDRAMTYHAGEN-UHFFFAOYSA-N 1 2 343.858 3.568 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000187593243 1022207270 /nfs/dbraw/zinc/20/72/70/1022207270.db2.gz MMVZZEAETGOBRT-IBGZPJMESA-N 1 2 343.377 3.586 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]1CCc2ccccc21 ZINC000060843105 1033036943 /nfs/dbraw/zinc/03/69/43/1033036943.db2.gz LHKWWQYERRSRGC-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]1CCc2ccccc21 ZINC000060843105 1033036951 /nfs/dbraw/zinc/03/69/51/1033036951.db2.gz LHKWWQYERRSRGC-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)Nc1ccncc1 ZINC000112559367 1022287493 /nfs/dbraw/zinc/28/74/93/1022287493.db2.gz VONMSANQSWGONM-IBGZPJMESA-N 1 2 334.423 3.729 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)Nc1ccncc1 ZINC000112559367 1022287507 /nfs/dbraw/zinc/28/75/07/1022287507.db2.gz VONMSANQSWGONM-IBGZPJMESA-N 1 2 334.423 3.729 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1=S ZINC000172916324 1033039673 /nfs/dbraw/zinc/03/96/73/1033039673.db2.gz FDRYOHMTRHCXGU-INIZCTEOSA-N 1 2 330.501 3.691 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1=S ZINC000172916324 1033039689 /nfs/dbraw/zinc/03/96/89/1033039689.db2.gz FDRYOHMTRHCXGU-INIZCTEOSA-N 1 2 330.501 3.691 20 0 EHADLO CS(=O)(=O)c1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000341555945 1022307603 /nfs/dbraw/zinc/30/76/03/1022307603.db2.gz ZDPGKIHTJRGTKM-UHFFFAOYSA-N 1 2 346.839 3.904 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894962808 1022308597 /nfs/dbraw/zinc/30/85/97/1022308597.db2.gz VBSQNECFDNGZJX-DNVCBOLYSA-N 1 2 338.430 3.986 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894962808 1022308601 /nfs/dbraw/zinc/30/86/01/1022308601.db2.gz VBSQNECFDNGZJX-DNVCBOLYSA-N 1 2 338.430 3.986 20 0 EHADLO CCN(CCC1CC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458872000 1022312806 /nfs/dbraw/zinc/31/28/06/1022312806.db2.gz AVALYPAUNPDSON-UHFFFAOYSA-N 1 2 346.862 3.857 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)on1 ZINC000047273975 1022316565 /nfs/dbraw/zinc/31/65/65/1022316565.db2.gz XHPMWJOWMYMUJM-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)on1 ZINC000047273975 1022316581 /nfs/dbraw/zinc/31/65/81/1022316581.db2.gz XHPMWJOWMYMUJM-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cc(F)ccc1F ZINC000607213793 1033045091 /nfs/dbraw/zinc/04/50/91/1033045091.db2.gz WZOFCEGRTCLYAX-OAHLLOKOSA-N 1 2 330.338 3.885 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CCOCC3(CC3)C2)cc1OC ZINC000341566346 1022340019 /nfs/dbraw/zinc/34/00/19/1022340019.db2.gz PWCJSABMXPYMFO-UHFFFAOYSA-N 1 2 339.863 3.750 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CCOCC3(CC3)C2)cc1OC ZINC000341566346 1022340038 /nfs/dbraw/zinc/34/00/38/1022340038.db2.gz PWCJSABMXPYMFO-UHFFFAOYSA-N 1 2 339.863 3.750 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143405238 1022354712 /nfs/dbraw/zinc/35/47/12/1022354712.db2.gz WBUVMWPRIARDQO-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143405238 1022354725 /nfs/dbraw/zinc/35/47/25/1022354725.db2.gz WBUVMWPRIARDQO-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO CC(C)Cn1nccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125544462 1022354962 /nfs/dbraw/zinc/35/49/62/1022354962.db2.gz JCTJFZHEQQWYSH-UHFFFAOYSA-N 1 2 343.818 3.631 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143405539 1022372269 /nfs/dbraw/zinc/37/22/69/1022372269.db2.gz YZYYXCAVZISANF-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143405539 1022372286 /nfs/dbraw/zinc/37/22/86/1022372286.db2.gz YZYYXCAVZISANF-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(F)F)c(F)c2)s1 ZINC000895010653 1022379611 /nfs/dbraw/zinc/37/96/11/1022379611.db2.gz UOBHMEFSRZTEIA-QMMMGPOBSA-N 1 2 344.358 3.857 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c1Cl ZINC000894490312 1022399013 /nfs/dbraw/zinc/39/90/13/1022399013.db2.gz OYRWLXTXRKTILD-OAHLLOKOSA-N 1 2 349.862 3.555 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCCC2CCCCC2)CCO1 ZINC000548342041 1022408465 /nfs/dbraw/zinc/40/84/65/1022408465.db2.gz RCXFNGSWIJKPAZ-AEFFLSMTSA-N 1 2 333.476 3.507 20 0 EHADLO Cc1ccoc1CN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000291965888 1022415699 /nfs/dbraw/zinc/41/56/99/1022415699.db2.gz WZRIHBMFRSXDCM-UHFFFAOYSA-N 1 2 348.472 3.694 20 0 EHADLO c1ccc(-c2noc(C[NH2+]Cc3ccc(OCC4CC4)cc3)n2)cc1 ZINC000276724924 1022430837 /nfs/dbraw/zinc/43/08/37/1022430837.db2.gz GHEFLMILWCSWTL-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO Cc1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1-c1ccccc1C ZINC000172938799 1033051679 /nfs/dbraw/zinc/05/16/79/1033051679.db2.gz UIWZPICAZNKGHU-GASCZTMLSA-N 1 2 328.485 3.565 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1-c1ccccc1C ZINC000172938799 1033051693 /nfs/dbraw/zinc/05/16/93/1033051693.db2.gz UIWZPICAZNKGHU-GASCZTMLSA-N 1 2 328.485 3.565 20 0 EHADLO CCn1c(C[N@@H+]2CCC=C(c3ccccn3)C2)nc2c1cccc2F ZINC000647951637 1022461210 /nfs/dbraw/zinc/46/12/10/1022461210.db2.gz WDUKTSINBXDFQJ-UHFFFAOYSA-N 1 2 336.414 3.880 20 0 EHADLO CCn1c(C[N@H+]2CCC=C(c3ccccn3)C2)nc2c1cccc2F ZINC000647951637 1022461215 /nfs/dbraw/zinc/46/12/15/1022461215.db2.gz WDUKTSINBXDFQJ-UHFFFAOYSA-N 1 2 336.414 3.880 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000111292127 1022469855 /nfs/dbraw/zinc/46/98/55/1022469855.db2.gz OCKYNECPOSEFGA-AWEZNQCLSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000111292127 1022469870 /nfs/dbraw/zinc/46/98/70/1022469870.db2.gz OCKYNECPOSEFGA-AWEZNQCLSA-N 1 2 327.255 3.580 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)n1 ZINC000328703631 1022472487 /nfs/dbraw/zinc/47/24/87/1022472487.db2.gz OHOPXIBJDIQIBY-SJCJKPOMSA-N 1 2 340.427 3.790 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC000891738258 1022493195 /nfs/dbraw/zinc/49/31/95/1022493195.db2.gz IERFDXOKPGCDAI-HXUWFJFHSA-N 1 2 349.482 3.907 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC000891738258 1022493205 /nfs/dbraw/zinc/49/32/05/1022493205.db2.gz IERFDXOKPGCDAI-HXUWFJFHSA-N 1 2 349.482 3.907 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1OC ZINC000015547012 1022495278 /nfs/dbraw/zinc/49/52/78/1022495278.db2.gz RUAVPVGCJQOEHB-HNNXBMFYSA-N 1 2 330.453 3.705 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1OC ZINC000015547012 1022495289 /nfs/dbraw/zinc/49/52/89/1022495289.db2.gz RUAVPVGCJQOEHB-HNNXBMFYSA-N 1 2 330.453 3.705 20 0 EHADLO Brc1ccc2c(c1)CC[N@@H+](C/C=C/c1ccncc1)C2 ZINC000425968293 1022499893 /nfs/dbraw/zinc/49/98/93/1022499893.db2.gz SKNIBAHPABKEIV-OWOJBTEDSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1ccc2c(c1)CC[N@H+](C/C=C/c1ccncc1)C2 ZINC000425968293 1022499906 /nfs/dbraw/zinc/49/99/06/1022499906.db2.gz SKNIBAHPABKEIV-OWOJBTEDSA-N 1 2 329.241 3.916 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)n1 ZINC000303763223 1022526200 /nfs/dbraw/zinc/52/62/00/1022526200.db2.gz PAJOJULJQGRUAH-CQSZACIVSA-N 1 2 333.457 3.909 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)n1 ZINC000303763223 1022526215 /nfs/dbraw/zinc/52/62/15/1022526215.db2.gz PAJOJULJQGRUAH-CQSZACIVSA-N 1 2 333.457 3.909 20 0 EHADLO CC(C)OCc1nc([C@@H](C)[NH2+]C2CC(Sc3ccccc3)C2)no1 ZINC000894556878 1022530730 /nfs/dbraw/zinc/53/07/30/1022530730.db2.gz NCMKMHDEOPOOFT-VQCLRJIVSA-N 1 2 347.484 3.969 20 0 EHADLO O=C1CCCN1c1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438301538 1022541844 /nfs/dbraw/zinc/54/18/44/1022541844.db2.gz GYAMKHQEAPYWQZ-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Br)ccc2Cl)CC[C@@H]1O ZINC000438332847 1022556264 /nfs/dbraw/zinc/55/62/64/1022556264.db2.gz FULJFYSSSOFCPH-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2Cl)CC[C@@H]1O ZINC000438332847 1022556269 /nfs/dbraw/zinc/55/62/69/1022556269.db2.gz FULJFYSSSOFCPH-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000528899936 1033066891 /nfs/dbraw/zinc/06/68/91/1033066891.db2.gz CCAOPKZXUQNAMG-GOSISDBHSA-N 1 2 339.439 3.746 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000894590033 1022581907 /nfs/dbraw/zinc/58/19/07/1022581907.db2.gz RRVASPZVYZNKFB-UHFFFAOYSA-N 1 2 348.878 3.873 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000425992329 1022610731 /nfs/dbraw/zinc/61/07/31/1022610731.db2.gz CNJXTPHSJUUDPL-AWEZNQCLSA-N 1 2 335.448 3.673 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000425992329 1022610742 /nfs/dbraw/zinc/61/07/42/1022610742.db2.gz CNJXTPHSJUUDPL-AWEZNQCLSA-N 1 2 335.448 3.673 20 0 EHADLO C[C@@H]1CC[C@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004333 1022648901 /nfs/dbraw/zinc/64/89/01/1022648901.db2.gz UXORDLBVCPIVEF-FZCLSBEQSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1CC[C@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004333 1022648906 /nfs/dbraw/zinc/64/89/06/1022648906.db2.gz UXORDLBVCPIVEF-FZCLSBEQSA-N 1 2 341.455 3.935 20 0 EHADLO CCCCCCOc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC001266883244 1022651107 /nfs/dbraw/zinc/65/11/07/1022651107.db2.gz RAASFNHFJQYELF-UHFFFAOYSA-N 1 2 326.440 3.952 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000345984120 1022664124 /nfs/dbraw/zinc/66/41/24/1022664124.db2.gz CPXPDMLOZVUHHG-KBUPBQIOSA-N 1 2 343.393 3.661 20 0 EHADLO CC(C)N(C)c1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000438465191 1022694962 /nfs/dbraw/zinc/69/49/62/1022694962.db2.gz AHBJKXSCMDKTEW-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO C[C@@H]1CC[C@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011519 1022703562 /nfs/dbraw/zinc/70/35/62/1022703562.db2.gz UXORDLBVCPIVEF-LMSBXDPUSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1CC[C@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011519 1022703576 /nfs/dbraw/zinc/70/35/76/1022703576.db2.gz UXORDLBVCPIVEF-LMSBXDPUSA-N 1 2 341.455 3.935 20 0 EHADLO CCc1ccsc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000053024716 1022719065 /nfs/dbraw/zinc/71/90/65/1022719065.db2.gz ZGEOXOZZDUFJLM-UHFFFAOYSA-N 1 2 339.464 3.528 20 0 EHADLO COCC[N@H+](Cc1c(F)cncc1Br)[C@@H]1CC[C@H](C)C1 ZINC000668055418 1022723852 /nfs/dbraw/zinc/72/38/52/1022723852.db2.gz AQVJQTKQDNNNLS-NWDGAFQWSA-N 1 2 345.256 3.620 20 0 EHADLO COCC[N@@H+](Cc1c(F)cncc1Br)[C@@H]1CC[C@H](C)C1 ZINC000668055418 1022723862 /nfs/dbraw/zinc/72/38/62/1022723862.db2.gz AQVJQTKQDNNNLS-NWDGAFQWSA-N 1 2 345.256 3.620 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111767727 1022740653 /nfs/dbraw/zinc/74/06/53/1022740653.db2.gz IHJBMWRDVFQSCD-UHFFFAOYSA-N 1 2 330.457 3.615 20 0 EHADLO CCOc1cc(F)c(C[NH+]2CCC(Oc3cccnc3)CC2)c(F)c1 ZINC001143574939 1022752823 /nfs/dbraw/zinc/75/28/23/1022752823.db2.gz MCRUMPHRIALNEG-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO CC(C)c1cc(C(=O)NCCCn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC000146795579 1033078782 /nfs/dbraw/zinc/07/87/82/1033078782.db2.gz JMPMZEYLJQAUPN-UHFFFAOYSA-N 1 2 329.444 3.656 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)n1 ZINC000438550871 1022794271 /nfs/dbraw/zinc/79/42/71/1022794271.db2.gz CDUPTNGARSUEII-ACJLOTCBSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)n1 ZINC000438550871 1022794282 /nfs/dbraw/zinc/79/42/82/1022794282.db2.gz CDUPTNGARSUEII-ACJLOTCBSA-N 1 2 332.831 3.711 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729469242 1022811026 /nfs/dbraw/zinc/81/10/26/1022811026.db2.gz LJTNUMYAQYGKQJ-ZDUSSCGKSA-N 1 2 346.789 3.834 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729469242 1022811048 /nfs/dbraw/zinc/81/10/48/1022811048.db2.gz LJTNUMYAQYGKQJ-ZDUSSCGKSA-N 1 2 346.789 3.834 20 0 EHADLO COc1cccc(C([NH2+]Cc2conc2C)c2cccc(OC)c2)c1 ZINC000293426309 1022819133 /nfs/dbraw/zinc/81/91/33/1022819133.db2.gz AVCWTKHFEPAMBJ-UHFFFAOYSA-N 1 2 338.407 3.879 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000430881605 1022820052 /nfs/dbraw/zinc/82/00/52/1022820052.db2.gz CTXNISCBGKWJPD-HIFRSBDPSA-N 1 2 333.325 3.520 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000430881605 1022820066 /nfs/dbraw/zinc/82/00/66/1022820066.db2.gz CTXNISCBGKWJPD-HIFRSBDPSA-N 1 2 333.325 3.520 20 0 EHADLO CC(C)Oc1cccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000650548610 1022825947 /nfs/dbraw/zinc/82/59/47/1022825947.db2.gz VWVOPHZMUUIPAA-UHFFFAOYSA-N 1 2 338.411 3.647 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510684912 1022886572 /nfs/dbraw/zinc/88/65/72/1022886572.db2.gz QVHWHGZJNFSDDC-FQEVSTJZSA-N 1 2 345.389 3.962 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510684912 1022886590 /nfs/dbraw/zinc/88/65/90/1022886590.db2.gz QVHWHGZJNFSDDC-FQEVSTJZSA-N 1 2 345.389 3.962 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000550258876 1022904223 /nfs/dbraw/zinc/90/42/23/1022904223.db2.gz GKVMTMILXSUQEQ-HNNXBMFYSA-N 1 2 332.463 3.857 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000518021764 1022935898 /nfs/dbraw/zinc/93/58/98/1022935898.db2.gz BJIZOYYQLBHUOU-UHFFFAOYSA-N 1 2 346.390 3.640 20 0 EHADLO CC1(C)CC(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000548406713 1022941752 /nfs/dbraw/zinc/94/17/52/1022941752.db2.gz QZWCULZQLNFRJO-UHFFFAOYSA-N 1 2 342.443 3.520 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681164 1022987849 /nfs/dbraw/zinc/98/78/49/1022987849.db2.gz VKCMVFFLEWAMSD-SFHVURJKSA-N 1 2 328.843 3.528 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681164 1022987860 /nfs/dbraw/zinc/98/78/60/1022987860.db2.gz VKCMVFFLEWAMSD-SFHVURJKSA-N 1 2 328.843 3.528 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NC1(c2ccccc2)CCCC1 ZINC000506920995 1023008513 /nfs/dbraw/zinc/00/85/13/1023008513.db2.gz FHXZAKHSSUKALN-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000506362080 1023009433 /nfs/dbraw/zinc/00/94/33/1023009433.db2.gz JSHWHTSKZNDDGY-SOUVJXGZSA-N 1 2 338.442 3.728 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000506362080 1023009445 /nfs/dbraw/zinc/00/94/45/1023009445.db2.gz JSHWHTSKZNDDGY-SOUVJXGZSA-N 1 2 338.442 3.728 20 0 EHADLO COCCCC[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000548418067 1023044587 /nfs/dbraw/zinc/04/45/87/1023044587.db2.gz JGQZHXDZCLOQGO-GOSISDBHSA-N 1 2 341.455 3.800 20 0 EHADLO C[C@H](CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000438829561 1023047321 /nfs/dbraw/zinc/04/73/21/1023047321.db2.gz KKGREERAQGOOPF-MRXNPFEDSA-N 1 2 341.499 3.911 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000294610398 1023067651 /nfs/dbraw/zinc/06/76/51/1023067651.db2.gz WHMLBDYIZNWQBS-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000294610398 1023067662 /nfs/dbraw/zinc/06/76/62/1023067662.db2.gz WHMLBDYIZNWQBS-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000520470595 1023068182 /nfs/dbraw/zinc/06/81/82/1023068182.db2.gz BUFMQXRNFRGAGK-WBMJQRKESA-N 1 2 337.345 3.512 20 0 EHADLO CC/C=C\CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459008729 1023085685 /nfs/dbraw/zinc/08/56/85/1023085685.db2.gz MCSLWNYDGJGUPQ-ARJAWSKDSA-N 1 2 346.862 3.715 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)NC[C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000426884135 1023099426 /nfs/dbraw/zinc/09/94/26/1023099426.db2.gz RYQVCBKCAXDPAA-ZWOKBUDYSA-N 1 2 339.483 3.953 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnc(-c2cccnc2)s1 ZINC000536380422 1023119555 /nfs/dbraw/zinc/11/95/55/1023119555.db2.gz ZBSRGTXRHHLHTA-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000507103009 1023131871 /nfs/dbraw/zinc/13/18/71/1023131871.db2.gz MJWUDWJKRHMUEN-OAQYLSRUSA-N 1 2 334.419 3.839 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000507103009 1023131874 /nfs/dbraw/zinc/13/18/74/1023131874.db2.gz MJWUDWJKRHMUEN-OAQYLSRUSA-N 1 2 334.419 3.839 20 0 EHADLO Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000507147202 1023148652 /nfs/dbraw/zinc/14/86/52/1023148652.db2.gz XOKJJSAZVPAXCU-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000438991038 1023196059 /nfs/dbraw/zinc/19/60/59/1023196059.db2.gz LOEBTHDBRCMLNI-NEPJUHHUSA-N 1 2 333.457 3.830 20 0 EHADLO CC(C)[N@H+](Cc1nc(Br)nn1C)[C@@H](C)c1ccccc1 ZINC000894831821 1023196254 /nfs/dbraw/zinc/19/62/54/1023196254.db2.gz QVVVTUWDIAPEOS-LBPRGKRZSA-N 1 2 337.265 3.549 20 0 EHADLO CC(C)[N@@H+](Cc1nc(Br)nn1C)[C@@H](C)c1ccccc1 ZINC000894831821 1023196265 /nfs/dbraw/zinc/19/62/65/1023196265.db2.gz QVVVTUWDIAPEOS-LBPRGKRZSA-N 1 2 337.265 3.549 20 0 EHADLO CC(C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426256518 1023205979 /nfs/dbraw/zinc/20/59/79/1023205979.db2.gz MBRMMJYMAKTXOL-RBUKOAKNSA-N 1 2 340.471 3.847 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000510824117 1023232078 /nfs/dbraw/zinc/23/20/78/1023232078.db2.gz BFKICXQBQKDMCT-TVFCKZIOSA-N 1 2 329.488 3.629 20 0 EHADLO CCNC(=O)C[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000507324065 1023248932 /nfs/dbraw/zinc/24/89/32/1023248932.db2.gz IKHJOMBSVGIADP-KAVGSWPWSA-N 1 2 334.463 3.851 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000190535624 1023255115 /nfs/dbraw/zinc/25/51/15/1023255115.db2.gz FNSPXOLXHJUXSL-HOTGVXAUSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2ccoc2)c(C)c1 ZINC000441494415 1023259148 /nfs/dbraw/zinc/25/91/48/1023259148.db2.gz ZQCKASHKNOVJMJ-IBGZPJMESA-N 1 2 337.423 3.583 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(CC)CCCC1 ZINC000190577319 1023289130 /nfs/dbraw/zinc/28/91/30/1023289130.db2.gz NEJMHZHXGNKAAZ-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891898578 1023349115 /nfs/dbraw/zinc/34/91/15/1023349115.db2.gz LHYQBVYMSJJCNI-UHFFFAOYSA-N 1 2 346.475 3.546 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(F)c2ccccc12 ZINC000684565886 1023396041 /nfs/dbraw/zinc/39/60/41/1023396041.db2.gz YASVIRNBTWWEQR-UHFFFAOYSA-N 1 2 334.394 3.725 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CCc2noc3ccccc23)CCCC1 ZINC000593965756 1033129956 /nfs/dbraw/zinc/12/99/56/1033129956.db2.gz GGTPBCBPLGWXHF-UHFFFAOYSA-N 1 2 330.428 3.614 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602761951 1033133607 /nfs/dbraw/zinc/13/36/07/1033133607.db2.gz CXQYZZCEKMUVGY-KRWDZBQOSA-N 1 2 348.406 3.548 20 0 EHADLO Cc1sc2nc(C[NH2+]C3(c4cccc(F)c4)CC3)nc(N)c2c1C ZINC000341856310 1023467465 /nfs/dbraw/zinc/46/74/65/1023467465.db2.gz UQOSKPFCADAEBS-UHFFFAOYSA-N 1 2 342.443 3.808 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)nc1 ZINC000341882300 1023528456 /nfs/dbraw/zinc/52/84/56/1023528456.db2.gz KRBBCBANUODYBG-QGZVFWFLSA-N 1 2 336.357 3.544 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)nc1 ZINC000341882300 1023528457 /nfs/dbraw/zinc/52/84/57/1023528457.db2.gz KRBBCBANUODYBG-QGZVFWFLSA-N 1 2 336.357 3.544 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000119599257 1033134884 /nfs/dbraw/zinc/13/48/84/1033134884.db2.gz QJPLVTRCJBPZBK-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000119599257 1033134896 /nfs/dbraw/zinc/13/48/96/1033134896.db2.gz QJPLVTRCJBPZBK-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)NCCCCn2cc[nH+]c2)c1C1CC1 ZINC000535699695 1023575002 /nfs/dbraw/zinc/57/50/02/1023575002.db2.gz LPIAVNIOAROTJO-CQSZACIVSA-N 1 2 344.463 3.530 20 0 EHADLO Fc1cccc([C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)c2ccccn2)c1 ZINC000535735355 1023598636 /nfs/dbraw/zinc/59/86/36/1023598636.db2.gz MDJMRYNCBFONJF-HXUWFJFHSA-N 1 2 332.382 3.976 20 0 EHADLO Fc1cccc([C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)c2ccccn2)c1 ZINC000535735355 1023598641 /nfs/dbraw/zinc/59/86/41/1023598641.db2.gz MDJMRYNCBFONJF-HXUWFJFHSA-N 1 2 332.382 3.976 20 0 EHADLO c1ccc(-c2ncc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cn2)cc1 ZINC000535782184 1023630035 /nfs/dbraw/zinc/63/00/35/1023630035.db2.gz TUEZVRBNPNYOHK-FQEVSTJZSA-N 1 2 331.419 3.717 20 0 EHADLO c1ccc(-c2ncc(C[N@H+]3CCO[C@H](c4ccccc4)C3)cn2)cc1 ZINC000535782184 1023630038 /nfs/dbraw/zinc/63/00/38/1023630038.db2.gz TUEZVRBNPNYOHK-FQEVSTJZSA-N 1 2 331.419 3.717 20 0 EHADLO O=C(/C=C\C=C(Cl)Cl)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000897755914 1033151785 /nfs/dbraw/zinc/15/17/85/1033151785.db2.gz XTGRBMLBWHOGOZ-RAFPVLMKSA-N 1 2 340.254 3.796 20 0 EHADLO OCC1(C[N@H+](Cc2ccn(-c3ccccc3)n2)Cc2ccccc2)CC1 ZINC000341963352 1023723360 /nfs/dbraw/zinc/72/33/60/1023723360.db2.gz ZTZDLDQRVITDGY-UHFFFAOYSA-N 1 2 347.462 3.647 20 0 EHADLO OCC1(C[N@@H+](Cc2ccn(-c3ccccc3)n2)Cc2ccccc2)CC1 ZINC000341963352 1023723363 /nfs/dbraw/zinc/72/33/63/1023723363.db2.gz ZTZDLDQRVITDGY-UHFFFAOYSA-N 1 2 347.462 3.647 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2ncccc2OC)cc1Cl ZINC000449748848 1033161542 /nfs/dbraw/zinc/16/15/42/1033161542.db2.gz NVJNUFQVCKYNJQ-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001143418826 1023791784 /nfs/dbraw/zinc/79/17/84/1023791784.db2.gz YCYVMEKFXCYTKF-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001143418826 1023791790 /nfs/dbraw/zinc/79/17/90/1023791790.db2.gz YCYVMEKFXCYTKF-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](CCOC)[C@@H](C)c2ccccc2)s1 ZINC000602765846 1033164262 /nfs/dbraw/zinc/16/42/62/1033164262.db2.gz MUTZUNGOARVJJT-AWEZNQCLSA-N 1 2 348.468 3.529 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)s1 ZINC000602765846 1033164276 /nfs/dbraw/zinc/16/42/76/1033164276.db2.gz MUTZUNGOARVJJT-AWEZNQCLSA-N 1 2 348.468 3.529 20 0 EHADLO CN(C)c1[nH+]cc(CN2CC[C@H](O)c3ccccc32)c2ccccc21 ZINC000934070186 1023858799 /nfs/dbraw/zinc/85/87/99/1023858799.db2.gz GBTDPNILBJZANW-FQEVSTJZSA-N 1 2 333.435 3.745 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000684620425 1023866444 /nfs/dbraw/zinc/86/64/44/1023866444.db2.gz QEJQFVTVUWEUSG-CQSZACIVSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000684620425 1023866450 /nfs/dbraw/zinc/86/64/50/1023866450.db2.gz QEJQFVTVUWEUSG-CQSZACIVSA-N 1 2 337.769 3.892 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761044549 1033176299 /nfs/dbraw/zinc/17/62/99/1033176299.db2.gz AEFHYDLDBLKVGW-CYBMUJFWSA-N 1 2 328.378 3.941 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761044549 1033176303 /nfs/dbraw/zinc/17/63/03/1033176303.db2.gz AEFHYDLDBLKVGW-CYBMUJFWSA-N 1 2 328.378 3.941 20 0 EHADLO Nc1nc(N[C@@H](c2nccs2)c2ccccc2)[nH+]c2ccccc12 ZINC000133445149 1023982882 /nfs/dbraw/zinc/98/28/82/1023982882.db2.gz WGSFXWZUHOCORR-OAHLLOKOSA-N 1 2 333.420 3.870 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000895230138 1024005934 /nfs/dbraw/zinc/00/59/34/1024005934.db2.gz LTYZVRZETJOLBT-NUJGCVRESA-N 1 2 330.472 3.503 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1Cl ZINC000046469169 1033175182 /nfs/dbraw/zinc/17/51/82/1033175182.db2.gz MIZHFMQFVZMDHC-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000513999635 1024041494 /nfs/dbraw/zinc/04/14/94/1024041494.db2.gz OJXDPMISSYJUTP-UGSOOPFHSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1ccc3c(Cl)cccc3n1)CCC2 ZINC000443495756 1024043868 /nfs/dbraw/zinc/04/38/68/1024043868.db2.gz CESOTNCVYUGFGG-ZDUSSCGKSA-N 1 2 326.831 3.805 20 0 EHADLO COCCCN(C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443499985 1024049284 /nfs/dbraw/zinc/04/92/84/1024049284.db2.gz JGNHGUPYGMYRQK-UHFFFAOYSA-N 1 2 327.197 3.609 20 0 EHADLO CCC1(CC)C[N@H+](Cc2oc(-c3ccccc3)nc2C)CC[S@@]1=O ZINC000602809334 1033184103 /nfs/dbraw/zinc/18/41/03/1033184103.db2.gz AXBFEKDHXIWEDE-DEOSSOPVSA-N 1 2 346.496 3.773 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[S@@]1=O ZINC000602809334 1033184121 /nfs/dbraw/zinc/18/41/21/1033184121.db2.gz AXBFEKDHXIWEDE-DEOSSOPVSA-N 1 2 346.496 3.773 20 0 EHADLO COC[C@H](C)N(C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443512059 1024062711 /nfs/dbraw/zinc/06/27/11/1024062711.db2.gz RMGASLFPHVIOKR-VIFPVBQESA-N 1 2 327.197 3.608 20 0 EHADLO CN(C[C@H]1CCOC1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443513141 1024078411 /nfs/dbraw/zinc/07/84/11/1024078411.db2.gz VMOXGZPARKNZEM-SNVBAGLBSA-N 1 2 339.208 3.609 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000449767845 1033182133 /nfs/dbraw/zinc/18/21/33/1033182133.db2.gz BCBXWJMJXVPEEO-LJQANCHMSA-N 1 2 325.412 3.774 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1OCC ZINC000151337444 1024100765 /nfs/dbraw/zinc/10/07/65/1024100765.db2.gz GLSMDKCXCKHSEG-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1OCC ZINC000151337444 1024100770 /nfs/dbraw/zinc/10/07/70/1024100770.db2.gz GLSMDKCXCKHSEG-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614700132 1024117794 /nfs/dbraw/zinc/11/77/94/1024117794.db2.gz DHONXAFIXUTLBZ-WBVHZDCISA-N 1 2 331.847 3.551 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)cn1 ZINC000072981229 1024146070 /nfs/dbraw/zinc/14/60/70/1024146070.db2.gz MOXAHOLNIVTVHM-UHFFFAOYSA-N 1 2 330.819 3.843 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)cn1 ZINC000072981229 1024146082 /nfs/dbraw/zinc/14/60/82/1024146082.db2.gz MOXAHOLNIVTVHM-UHFFFAOYSA-N 1 2 330.819 3.843 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329723931 1024146341 /nfs/dbraw/zinc/14/63/41/1024146341.db2.gz BKRXQCDVWBBYKR-DYEKYZERSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329723931 1024146356 /nfs/dbraw/zinc/14/63/56/1024146356.db2.gz BKRXQCDVWBBYKR-DYEKYZERSA-N 1 2 333.457 3.749 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342146653 1024237874 /nfs/dbraw/zinc/23/78/74/1024237874.db2.gz DSWUQUOONLVLPJ-HXUWFJFHSA-N 1 2 331.419 3.895 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000342146653 1024237907 /nfs/dbraw/zinc/23/79/07/1024237907.db2.gz DSWUQUOONLVLPJ-HXUWFJFHSA-N 1 2 331.419 3.895 20 0 EHADLO Cc1ccccc1-n1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)nn1 ZINC000342161162 1024265468 /nfs/dbraw/zinc/26/54/68/1024265468.db2.gz JANZBJGDUWFZOH-UHFFFAOYSA-N 1 2 348.385 3.513 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342167124 1024279405 /nfs/dbraw/zinc/27/94/05/1024279405.db2.gz ZQCDLWPNNDHVIT-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO CCc1noc(C)c1C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342167124 1024279420 /nfs/dbraw/zinc/27/94/20/1024279420.db2.gz ZQCDLWPNNDHVIT-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000505468026 1024290947 /nfs/dbraw/zinc/29/09/47/1024290947.db2.gz IOIIXQFDGCAEDT-SFHVURJKSA-N 1 2 346.833 3.503 20 0 EHADLO CC1(C)CC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)CCS1 ZINC000434708638 1024311582 /nfs/dbraw/zinc/31/15/82/1024311582.db2.gz DCKPUAZHDWKXCA-UHFFFAOYSA-N 1 2 339.411 3.732 20 0 EHADLO CC1(C)CC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)CCS1 ZINC000434708638 1024311601 /nfs/dbraw/zinc/31/16/01/1024311601.db2.gz DCKPUAZHDWKXCA-UHFFFAOYSA-N 1 2 339.411 3.732 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425148821 1024314525 /nfs/dbraw/zinc/31/45/25/1024314525.db2.gz PGFZVLZIJHCJQQ-RBUKOAKNSA-N 1 2 337.467 3.559 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1F ZINC000505485044 1024340183 /nfs/dbraw/zinc/34/01/83/1024340183.db2.gz XJZSEVGVZUZTIS-LIRRHRJNSA-N 1 2 344.405 3.632 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505491917 1024353844 /nfs/dbraw/zinc/35/38/44/1024353844.db2.gz UIAHOCSTQJYNPZ-GOSISDBHSA-N 1 2 346.833 3.585 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CCC2CCCCC2)CC[NH2+]1 ZINC000505506412 1024387579 /nfs/dbraw/zinc/38/75/79/1024387579.db2.gz MJGZXXLNZMYHBK-SFHVURJKSA-N 1 2 330.472 3.529 20 0 EHADLO COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346109528 1024408958 /nfs/dbraw/zinc/40/89/58/1024408958.db2.gz OIJLVXIZOXXNBH-UHFFFAOYSA-N 1 2 347.418 3.864 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)cc2c1 ZINC000505516402 1024413430 /nfs/dbraw/zinc/41/34/30/1024413430.db2.gz OYDRHJOUJKZCPP-QGZVFWFLSA-N 1 2 338.382 3.667 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1cccc(F)c1 ZINC000505516148 1024414697 /nfs/dbraw/zinc/41/46/97/1024414697.db2.gz OQGTXCPKJZZVCS-IFXJQAMLSA-N 1 2 344.405 3.632 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425193620 1024431343 /nfs/dbraw/zinc/43/13/43/1024431343.db2.gz LDQSECHSTQIRCM-SJLPKXTDSA-N 1 2 325.456 3.826 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)n1 ZINC000280924068 1024440087 /nfs/dbraw/zinc/44/00/87/1024440087.db2.gz GOYZUFKSCHETJY-OAHLLOKOSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)n1 ZINC000280924068 1024440095 /nfs/dbraw/zinc/44/00/95/1024440095.db2.gz GOYZUFKSCHETJY-OAHLLOKOSA-N 1 2 331.485 3.627 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1OC(F)F ZINC000346153669 1024455140 /nfs/dbraw/zinc/45/51/40/1024455140.db2.gz QPDUUGOCAWZVEQ-CHWSQXEVSA-N 1 2 349.381 3.699 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000474007839 1024467225 /nfs/dbraw/zinc/46/72/25/1024467225.db2.gz HGJVDUPXLSEOAG-KRWDZBQOSA-N 1 2 344.503 3.650 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000346187336 1024470534 /nfs/dbraw/zinc/47/05/34/1024470534.db2.gz MOWRQUWJDDOCSD-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000346187336 1024470539 /nfs/dbraw/zinc/47/05/39/1024470539.db2.gz MOWRQUWJDDOCSD-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000008473685 1024473459 /nfs/dbraw/zinc/47/34/59/1024473459.db2.gz YWDFSJBRGVGOER-NSHDSACASA-N 1 2 338.860 3.869 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000008473685 1024473468 /nfs/dbraw/zinc/47/34/68/1024473468.db2.gz YWDFSJBRGVGOER-NSHDSACASA-N 1 2 338.860 3.869 20 0 EHADLO CC(C)N1CC[NH+](CCCSc2cc(C(F)(F)F)ccn2)CC1 ZINC000657275102 1024481736 /nfs/dbraw/zinc/48/17/36/1024481736.db2.gz VVLGDNVHXPHLSH-UHFFFAOYSA-N 1 2 347.450 3.609 20 0 EHADLO CNC(=O)c1cccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000113928530 1024490499 /nfs/dbraw/zinc/49/04/99/1024490499.db2.gz LDBQVGLOQIHCKQ-UHFFFAOYSA-N 1 2 337.250 3.985 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000113928530 1024490507 /nfs/dbraw/zinc/49/05/07/1024490507.db2.gz LDBQVGLOQIHCKQ-UHFFFAOYSA-N 1 2 337.250 3.985 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3cnn(CC4CCC4)c3)CC23CCOCC3)c1 ZINC000895435345 1024495614 /nfs/dbraw/zinc/49/56/14/1024495614.db2.gz ZYLKUJRDHNDJNR-LJQANCHMSA-N 1 2 341.455 3.630 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3cnn(CC4CCC4)c3)CC23CCOCC3)c1 ZINC000895435345 1024495620 /nfs/dbraw/zinc/49/56/20/1024495620.db2.gz ZYLKUJRDHNDJNR-LJQANCHMSA-N 1 2 341.455 3.630 20 0 EHADLO CN(C)c1nc(N[C@H](c2cnn(C)c2)C(C)(C)C)[nH+]c2ccccc21 ZINC000425243580 1024507171 /nfs/dbraw/zinc/50/71/71/1024507171.db2.gz UFEOJLVXQWCROG-MRXNPFEDSA-N 1 2 338.459 3.629 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000425242673 1024507695 /nfs/dbraw/zinc/50/76/95/1024507695.db2.gz CRTSUOQRANMBBQ-QXCFHYIPSA-N 1 2 337.467 3.969 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+](C)C[C@@H]3CCCCO3)o2)cc1C ZINC000346217002 1024510126 /nfs/dbraw/zinc/51/01/26/1024510126.db2.gz IWIFMZRTCCJENW-ZDUSSCGKSA-N 1 2 335.473 3.670 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+](C)C[C@@H]3CCCCO3)o2)cc1C ZINC000346217002 1024510136 /nfs/dbraw/zinc/51/01/36/1024510136.db2.gz IWIFMZRTCCJENW-ZDUSSCGKSA-N 1 2 335.473 3.670 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc2oc3ccccc3c2c1 ZINC000514507235 1024523096 /nfs/dbraw/zinc/52/30/96/1024523096.db2.gz RCSLUYSQDXGVCZ-UHFFFAOYSA-N 1 2 334.379 3.994 20 0 EHADLO c1nc(C2CCC2)sc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346233565 1024548815 /nfs/dbraw/zinc/54/88/15/1024548815.db2.gz LEGSHQFBGYSQRL-QGZVFWFLSA-N 1 2 328.481 3.854 20 0 EHADLO c1nc(C2CCC2)sc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346233565 1024548820 /nfs/dbraw/zinc/54/88/20/1024548820.db2.gz LEGSHQFBGYSQRL-QGZVFWFLSA-N 1 2 328.481 3.854 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@H]1F ZINC001143428758 1024557425 /nfs/dbraw/zinc/55/74/25/1024557425.db2.gz NDIPPVSYNFGTCZ-NEPJUHHUSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@H]1F ZINC001143428758 1024557435 /nfs/dbraw/zinc/55/74/35/1024557435.db2.gz NDIPPVSYNFGTCZ-NEPJUHHUSA-N 1 2 341.732 3.533 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c[nH+]1 ZINC000895503433 1024564911 /nfs/dbraw/zinc/56/49/11/1024564911.db2.gz VFTNFYHRHQZFSU-AWEZNQCLSA-N 1 2 349.887 3.933 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000342249745 1024573762 /nfs/dbraw/zinc/57/37/62/1024573762.db2.gz PRDGWOFQALUILP-UHFFFAOYSA-N 1 2 349.772 3.748 20 0 EHADLO Cc1nccn1CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000346300979 1024592941 /nfs/dbraw/zinc/59/29/41/1024592941.db2.gz DMAHHGNMRHTTHG-GOSISDBHSA-N 1 2 326.831 3.619 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000346294071 1024610975 /nfs/dbraw/zinc/61/09/75/1024610975.db2.gz CHNZMMPSTFWJMX-NSHDSACASA-N 1 2 344.406 3.758 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000346294071 1024610977 /nfs/dbraw/zinc/61/09/77/1024610977.db2.gz CHNZMMPSTFWJMX-NSHDSACASA-N 1 2 344.406 3.758 20 0 EHADLO CCc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000327288424 1024635911 /nfs/dbraw/zinc/63/59/11/1024635911.db2.gz WAWLIQOFESOYDD-UHFFFAOYSA-N 1 2 329.407 3.990 20 0 EHADLO CCc1nnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000665207077 1024636141 /nfs/dbraw/zinc/63/61/41/1024636141.db2.gz MITUTUGDQQYQOT-GOSISDBHSA-N 1 2 345.512 3.874 20 0 EHADLO COCCOCc1cccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000653179886 1024639710 /nfs/dbraw/zinc/63/97/10/1024639710.db2.gz WZBMUFOWNLNIIX-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)on1 ZINC000151793618 1024648806 /nfs/dbraw/zinc/64/88/06/1024648806.db2.gz YBNDLAYKZJNPLG-LLVKDONJSA-N 1 2 328.347 3.765 20 0 EHADLO CCOc1ncccc1-c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000346071748 1024653750 /nfs/dbraw/zinc/65/37/50/1024653750.db2.gz NPGFQTZSDGYJFP-UHFFFAOYSA-N 1 2 347.378 3.691 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614673363 1024657881 /nfs/dbraw/zinc/65/78/81/1024657881.db2.gz HLDBPSUVYVIXSF-SJORKVTESA-N 1 2 349.544 3.824 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)n1 ZINC000342275778 1024690814 /nfs/dbraw/zinc/69/08/14/1024690814.db2.gz XMZNKAYDJFOVSA-UHFFFAOYSA-N 1 2 349.772 3.748 20 0 EHADLO COc1ccc2ccc(NC[C@H]3CCC4(CCOCC4)CO3)[nH+]c2c1 ZINC000895130933 1024697993 /nfs/dbraw/zinc/69/79/93/1024697993.db2.gz DGJNRWXYSIGUDE-QGZVFWFLSA-N 1 2 342.439 3.631 20 0 EHADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281174679 1024703705 /nfs/dbraw/zinc/70/37/05/1024703705.db2.gz LLGVWEODNICGEB-GJZGRUSLSA-N 1 2 349.434 3.546 20 0 EHADLO COc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000602877197 1033230376 /nfs/dbraw/zinc/23/03/76/1033230376.db2.gz FACRRQRSVOXJKH-UWVGGRQHSA-N 1 2 342.283 3.653 20 0 EHADLO CC1(C2CC2)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425318747 1024744315 /nfs/dbraw/zinc/74/43/15/1024744315.db2.gz PCBZAVQTSHIKAA-SFHVURJKSA-N 1 2 337.467 3.970 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425317010 1024744520 /nfs/dbraw/zinc/74/45/20/1024744520.db2.gz QQDRXNCVOWKRSV-JZXOWHBKSA-N 1 2 325.456 3.969 20 0 EHADLO CCOc1ncccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346468957 1024755396 /nfs/dbraw/zinc/75/53/96/1024755396.db2.gz VMCOXRNPBAOVDY-IBGZPJMESA-N 1 2 337.398 3.894 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C2CC2)cn1 ZINC000639358469 1024756843 /nfs/dbraw/zinc/75/68/43/1024756843.db2.gz YEYYJJZJAKNOBI-ROUUACIJSA-N 1 2 341.459 3.571 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594181215 1033237332 /nfs/dbraw/zinc/23/73/32/1033237332.db2.gz XFWLEBBVPNWRDL-GFCCVEGCSA-N 1 2 348.855 3.505 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509269 1024769465 /nfs/dbraw/zinc/76/94/65/1024769465.db2.gz MALZXVJNNPCKLE-UYAOXDASSA-N 1 2 349.471 3.820 20 0 EHADLO CCC[C@]1(C)CCC[N@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509269 1024769474 /nfs/dbraw/zinc/76/94/74/1024769474.db2.gz MALZXVJNNPCKLE-UYAOXDASSA-N 1 2 349.471 3.820 20 0 EHADLO Cc1ccnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000346506657 1024786776 /nfs/dbraw/zinc/78/67/76/1024786776.db2.gz PGWHYQVMSHJGTN-LBPRGKRZSA-N 1 2 340.254 3.991 20 0 EHADLO Cc1ccnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000346506657 1024786789 /nfs/dbraw/zinc/78/67/89/1024786789.db2.gz PGWHYQVMSHJGTN-LBPRGKRZSA-N 1 2 340.254 3.991 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1nc3ccccc3s1)C2 ZINC000474388073 1024869459 /nfs/dbraw/zinc/86/94/59/1024869459.db2.gz DQKQFSGXRFPSHC-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1nc3ccccc3s1)CC2 ZINC000474388073 1024869480 /nfs/dbraw/zinc/86/94/80/1024869480.db2.gz DQKQFSGXRFPSHC-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO CN(C)c1ccc(Nc2ncnc3sc4c(c32)CCCC4)c[nH+]1 ZINC000514929757 1024906093 /nfs/dbraw/zinc/90/60/93/1024906093.db2.gz OJQKCQMYSYFXER-UHFFFAOYSA-N 1 2 325.441 3.775 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000015546936 1024910286 /nfs/dbraw/zinc/91/02/86/1024910286.db2.gz BJRIMKLKYJHHQA-INIZCTEOSA-N 1 2 330.453 3.705 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000015546936 1024910292 /nfs/dbraw/zinc/91/02/92/1024910292.db2.gz BJRIMKLKYJHHQA-INIZCTEOSA-N 1 2 330.453 3.705 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC000895851146 1024911576 /nfs/dbraw/zinc/91/15/76/1024911576.db2.gz MUIHLHYZLZFFKI-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC000895851146 1024911585 /nfs/dbraw/zinc/91/15/85/1024911585.db2.gz MUIHLHYZLZFFKI-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000281315999 1024913577 /nfs/dbraw/zinc/91/35/77/1024913577.db2.gz KFYYFVXRWKGNAC-CJNGLKHVSA-N 1 2 334.778 3.899 20 0 EHADLO COc1cc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211885482 1024932434 /nfs/dbraw/zinc/93/24/34/1024932434.db2.gz PNPLVYMVNRUFPN-JKSUJKDBSA-N 1 2 336.395 3.696 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000346600477 1024938278 /nfs/dbraw/zinc/93/82/78/1024938278.db2.gz HIPYKZQVXYFQKJ-UHFFFAOYSA-N 1 2 341.317 3.605 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC(C)C)c2C1 ZINC000508173301 1024947015 /nfs/dbraw/zinc/94/70/15/1024947015.db2.gz FAJXATJPYWMNAJ-OAHLLOKOSA-N 1 2 339.483 3.777 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC(C)C)c2C1 ZINC000508173301 1024947018 /nfs/dbraw/zinc/94/70/18/1024947018.db2.gz FAJXATJPYWMNAJ-OAHLLOKOSA-N 1 2 339.483 3.777 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000053721253 1024954278 /nfs/dbraw/zinc/95/42/78/1024954278.db2.gz QYHTUMVDHZNVFV-UHFFFAOYSA-N 1 2 343.452 3.606 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000053721253 1024954288 /nfs/dbraw/zinc/95/42/88/1024954288.db2.gz QYHTUMVDHZNVFV-UHFFFAOYSA-N 1 2 343.452 3.606 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)[C@H]1CCc1ccccc1 ZINC000895909395 1024968469 /nfs/dbraw/zinc/96/84/69/1024968469.db2.gz OFCPORHANVWQHA-GJZGRUSLSA-N 1 2 336.888 3.755 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)[C@H]1CCc1ccccc1 ZINC000895909395 1024968482 /nfs/dbraw/zinc/96/84/82/1024968482.db2.gz OFCPORHANVWQHA-GJZGRUSLSA-N 1 2 336.888 3.755 20 0 EHADLO Cc1ccc2c(NC[C@@H](c3c(F)cccc3F)[NH+](C)C)ccnc2n1 ZINC000435503381 1024970730 /nfs/dbraw/zinc/97/07/30/1024970730.db2.gz YGTSHFCKPFXQGU-KRWDZBQOSA-N 1 2 342.393 3.931 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000895933610 1024987868 /nfs/dbraw/zinc/98/78/68/1024987868.db2.gz JPOQOJCFVMBZJX-UHFFFAOYSA-N 1 2 333.741 3.902 20 0 EHADLO FC(F)(F)COc1ccccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000515086966 1025005509 /nfs/dbraw/zinc/00/55/09/1025005509.db2.gz BSVHAVHXUGMEDG-UHFFFAOYSA-N 1 2 340.345 3.784 20 0 EHADLO FC(F)n1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000346671291 1025006018 /nfs/dbraw/zinc/00/60/18/1025006018.db2.gz PSRFTPCCCPQMBP-CYBMUJFWSA-N 1 2 327.762 3.935 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151931747 1025006115 /nfs/dbraw/zinc/00/61/15/1025006115.db2.gz HQWYYYHBDJPYCQ-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474468485 1025016677 /nfs/dbraw/zinc/01/66/77/1025016677.db2.gz BDDWJUWZBPYPLL-IHRRRGAJSA-N 1 2 337.460 3.516 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2cnc(C)cn2)c(SC)cc1OC ZINC000428207331 1025046276 /nfs/dbraw/zinc/04/62/76/1025046276.db2.gz ABVUDACXAUIFRD-ZDUSSCGKSA-N 1 2 347.484 3.717 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2cnc(C)cn2)c(SC)cc1OC ZINC000428207331 1025046287 /nfs/dbraw/zinc/04/62/87/1025046287.db2.gz ABVUDACXAUIFRD-ZDUSSCGKSA-N 1 2 347.484 3.717 20 0 EHADLO CCc1nc(C)c(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000428218859 1025052641 /nfs/dbraw/zinc/05/26/41/1025052641.db2.gz NJYUFAOWPHVJAQ-GOSISDBHSA-N 1 2 327.472 3.642 20 0 EHADLO O=C(N[C@@H]1CCCc2ccccc2C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000888248106 1025075619 /nfs/dbraw/zinc/07/56/19/1025075619.db2.gz KEQKSBBZVYCYRE-OAQYLSRUSA-N 1 2 345.446 3.609 20 0 EHADLO Cc1cc2cc(C[NH2+]Cc3c(Br)cnn3C)oc2cc1C ZINC000631210171 1025087776 /nfs/dbraw/zinc/08/77/76/1025087776.db2.gz UAPBEDUCQIYSII-UHFFFAOYSA-N 1 2 348.244 3.835 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120089303 1033259840 /nfs/dbraw/zinc/25/98/40/1033259840.db2.gz XYNOIVDAYDODCV-YLJYHZDGSA-N 1 2 339.483 3.641 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2cnn(C)c2)c(OCCC)c1 ZINC000119659975 1025134911 /nfs/dbraw/zinc/13/49/11/1025134911.db2.gz PRENUKWSZCCNQZ-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2cnn(C)c2)c(OCCC)c1 ZINC000119659975 1025134914 /nfs/dbraw/zinc/13/49/14/1025134914.db2.gz PRENUKWSZCCNQZ-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000191841882 1025152225 /nfs/dbraw/zinc/15/22/25/1025152225.db2.gz PCNTUPLUBPNKNM-OAHLLOKOSA-N 1 2 335.407 3.522 20 0 EHADLO COC[C@@H](C)Oc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000657322449 1025166358 /nfs/dbraw/zinc/16/63/58/1025166358.db2.gz YRITWWCCBQRZIR-MRXNPFEDSA-N 1 2 341.455 3.708 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000602921307 1033266771 /nfs/dbraw/zinc/26/67/71/1033266771.db2.gz XYJVTQLJWDWMKF-UHFFFAOYSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1nc2c(s1)CCC2 ZINC000515402085 1025214721 /nfs/dbraw/zinc/21/47/21/1025214721.db2.gz OIIPUNTVSQZXGY-ZDUSSCGKSA-N 1 2 336.464 3.940 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(CC(C)C)CC3)CC2)cc1 ZINC000442277126 1025238668 /nfs/dbraw/zinc/23/86/68/1025238668.db2.gz ZSFFNXZLKSOEKK-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1Br ZINC000353879961 1025247047 /nfs/dbraw/zinc/24/70/47/1025247047.db2.gz PDGSENLYBNCMGX-IAQYHMDHSA-N 1 2 334.261 3.985 20 0 EHADLO OC[C@@]1([NH2+]Cc2ccc(Cl)cc2Cl)CCOc2ccccc21 ZINC000281595069 1025252301 /nfs/dbraw/zinc/25/23/01/1025252301.db2.gz FHRFRMUTWDDZTD-KRWDZBQOSA-N 1 2 338.234 3.753 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)cs1 ZINC000894310755 1025259708 /nfs/dbraw/zinc/25/97/08/1025259708.db2.gz LUKTUDUCQFROKE-UHFFFAOYSA-N 1 2 345.342 3.565 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(Br)o1 ZINC000346868856 1025262910 /nfs/dbraw/zinc/26/29/10/1025262910.db2.gz IVXBRNODFBGJKC-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000346868856 1025262921 /nfs/dbraw/zinc/26/29/21/1025262921.db2.gz IVXBRNODFBGJKC-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]Cc1cncc(Br)c1)CO2 ZINC000342413096 1025274680 /nfs/dbraw/zinc/27/46/80/1025274680.db2.gz ALOBFCBHSJBWFX-GFCCVEGCSA-N 1 2 339.620 3.721 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055757 1033271539 /nfs/dbraw/zinc/27/15/39/1033271539.db2.gz MSRQDXIJKGVSLQ-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055757 1033271543 /nfs/dbraw/zinc/27/15/43/1033271543.db2.gz MSRQDXIJKGVSLQ-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO CCCCN(C)c1ccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000896249216 1025291603 /nfs/dbraw/zinc/29/16/03/1025291603.db2.gz RJOYTWIJHZCWOF-UHFFFAOYSA-N 1 2 328.460 3.802 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)oc1C ZINC000582099840 1025296942 /nfs/dbraw/zinc/29/69/42/1025296942.db2.gz OIQQRVXMAHYSIN-VBKZILBWSA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@@](C)(c3ccccc3)C2)oc1C ZINC000582099840 1025296956 /nfs/dbraw/zinc/29/69/56/1025296956.db2.gz OIQQRVXMAHYSIN-VBKZILBWSA-N 1 2 343.423 3.683 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000521267787 1025298999 /nfs/dbraw/zinc/29/89/99/1025298999.db2.gz ZLLFUIJZRWKCJG-GOSISDBHSA-N 1 2 347.462 3.860 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000521267787 1025299014 /nfs/dbraw/zinc/29/90/14/1025299014.db2.gz ZLLFUIJZRWKCJG-GOSISDBHSA-N 1 2 347.462 3.860 20 0 EHADLO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)c3nccc(N)n3)cc2)cs1 ZINC000521266514 1025299141 /nfs/dbraw/zinc/29/91/41/1025299141.db2.gz CPNJRZLFDWXYHQ-NWDGAFQWSA-N 1 2 339.468 3.733 20 0 EHADLO Clc1cc2[nH]c(=NCc3cn4c([nH+]3)CCCC4)oc2c(Cl)c1 ZINC000515531542 1025328550 /nfs/dbraw/zinc/32/85/50/1025328550.db2.gz USQICIMNTMINKE-UHFFFAOYSA-N 1 2 337.210 3.701 20 0 EHADLO CSc1c(F)cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000436047581 1025332215 /nfs/dbraw/zinc/33/22/15/1025332215.db2.gz CVEFUAXOUNBTCX-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Cl ZINC000152671377 1025350277 /nfs/dbraw/zinc/35/02/77/1025350277.db2.gz AUVYFEQFHPIGMG-DYVFJYSZSA-N 1 2 331.847 3.612 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346965274 1025360258 /nfs/dbraw/zinc/36/02/58/1025360258.db2.gz IZRPRAUYDRGPNQ-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346965274 1025360271 /nfs/dbraw/zinc/36/02/71/1025360271.db2.gz IZRPRAUYDRGPNQ-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(C2CC2)CC1 ZINC000665444729 1025360456 /nfs/dbraw/zinc/36/04/56/1025360456.db2.gz VHQYIXQZMDPKAI-UHFFFAOYSA-N 1 2 342.483 3.674 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c(C)c1C ZINC000346973789 1025371134 /nfs/dbraw/zinc/37/11/34/1025371134.db2.gz IEDJCEJASIWLEX-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c(C)c1C ZINC000346973789 1025371146 /nfs/dbraw/zinc/37/11/46/1025371146.db2.gz IEDJCEJASIWLEX-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000521450701 1025399591 /nfs/dbraw/zinc/39/95/91/1025399591.db2.gz HZVQUKQLYMKHIU-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000347007878 1025404571 /nfs/dbraw/zinc/40/45/71/1025404571.db2.gz HYXSGOQUSNIMRB-SJORKVTESA-N 1 2 341.455 3.504 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033608 1025407886 /nfs/dbraw/zinc/40/78/86/1025407886.db2.gz AFBWKRPREPKWCE-NVXWUHKLSA-N 1 2 326.444 3.592 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@H]2CCCc3ccccc32)c2cn[nH]n2)cc1 ZINC000521551163 1025457558 /nfs/dbraw/zinc/45/75/58/1025457558.db2.gz GPFYHZNJUYCNOR-OXQOHEQNSA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@H]2CCCc3ccccc32)c2c[nH]nn2)cc1 ZINC000521551163 1025457562 /nfs/dbraw/zinc/45/75/62/1025457562.db2.gz GPFYHZNJUYCNOR-OXQOHEQNSA-N 1 2 336.414 3.743 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1cc(F)c(Cl)cc1Cl ZINC000014217204 1025457690 /nfs/dbraw/zinc/45/76/90/1025457690.db2.gz BDHPCCHCUGPOIO-SSDOTTSWSA-N 1 2 340.189 3.982 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCC2(CC2)C1 ZINC000896479406 1025484898 /nfs/dbraw/zinc/48/48/98/1025484898.db2.gz OWJCJILOMZYWJD-ZWKOTPCHSA-N 1 2 338.455 3.646 20 0 EHADLO O=C1CCN1c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000442800878 1025495246 /nfs/dbraw/zinc/49/52/46/1025495246.db2.gz NPMGYGLTGPKEKK-QFIPXVFZSA-N 1 2 343.430 3.698 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000449821368 1033288871 /nfs/dbraw/zinc/28/88/71/1033288871.db2.gz PNPDIWSYLUVNMS-UHFFFAOYSA-N 1 2 341.455 3.997 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccccn2)cc1 ZINC000657364425 1025544420 /nfs/dbraw/zinc/54/44/20/1025544420.db2.gz VALORHALMOAPMO-NRFANRHFSA-N 1 2 347.466 3.780 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1 ZINC000060941980 1033289948 /nfs/dbraw/zinc/28/99/48/1033289948.db2.gz PMTBHAISIIHRGZ-UHFFFAOYSA-N 1 2 343.901 3.697 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1 ZINC000060941980 1033289959 /nfs/dbraw/zinc/28/99/59/1033289959.db2.gz PMTBHAISIIHRGZ-UHFFFAOYSA-N 1 2 343.901 3.697 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122419 1025557803 /nfs/dbraw/zinc/55/78/03/1025557803.db2.gz RIGGXZKDDBLXPT-MNOVXSKESA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122419 1025557808 /nfs/dbraw/zinc/55/78/08/1025557808.db2.gz RIGGXZKDDBLXPT-MNOVXSKESA-N 1 2 328.225 3.514 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000425516954 1025585291 /nfs/dbraw/zinc/58/52/91/1025585291.db2.gz WBDZONDVKPDRKI-SFHVURJKSA-N 1 2 334.391 3.521 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000425516954 1025585311 /nfs/dbraw/zinc/58/53/11/1025585311.db2.gz WBDZONDVKPDRKI-SFHVURJKSA-N 1 2 334.391 3.521 20 0 EHADLO CSc1ccc(CCNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000436339951 1025606331 /nfs/dbraw/zinc/60/63/31/1025606331.db2.gz UAYJYDOFBGDEIG-UHFFFAOYSA-N 1 2 340.452 3.729 20 0 EHADLO Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281901445 1025676613 /nfs/dbraw/zinc/67/66/13/1025676613.db2.gz FNBALRVJGSZFAP-UHFFFAOYSA-N 1 2 342.374 3.533 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1ccco1 ZINC000347234205 1025704165 /nfs/dbraw/zinc/70/41/65/1025704165.db2.gz QRLIGCYBRCICJB-CYBMUJFWSA-N 1 2 335.272 3.790 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@H]4C[C@@H]4c4ccccc4)no3)c2)c[nH+]1 ZINC000347241962 1025714315 /nfs/dbraw/zinc/71/43/15/1025714315.db2.gz KAHVDXVYYYXSHS-CVEARBPZSA-N 1 2 329.363 3.588 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(F)c1 ZINC000347242992 1025717666 /nfs/dbraw/zinc/71/76/66/1025717666.db2.gz YGBUMFLVPFZTIR-KDOFPFPSSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(F)c1 ZINC000347242992 1025717677 /nfs/dbraw/zinc/71/76/77/1025717677.db2.gz YGBUMFLVPFZTIR-KDOFPFPSSA-N 1 2 327.403 3.551 20 0 EHADLO COCC[C@H](Cc1ccco1)Nc1cc[nH+]c2c(OC)cccc12 ZINC000436443376 1025731869 /nfs/dbraw/zinc/73/18/69/1025731869.db2.gz UHMOVFFDLSBGIE-CQSZACIVSA-N 1 2 326.396 3.896 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000522833863 1025740330 /nfs/dbraw/zinc/74/03/30/1025740330.db2.gz PCMZSRYQBUEZQY-KUHUBIRLSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000522833863 1025740347 /nfs/dbraw/zinc/74/03/47/1025740347.db2.gz PCMZSRYQBUEZQY-KUHUBIRLSA-N 1 2 344.455 3.943 20 0 EHADLO CC[C@H](C)[C@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563635 1025757857 /nfs/dbraw/zinc/75/78/57/1025757857.db2.gz DMRNKISRSUSYOJ-KSSFIOAISA-N 1 2 341.455 3.886 20 0 EHADLO COC[C@H]([NH2+]Cc1cncc(Br)c1C)c1ccc(C)o1 ZINC000657384465 1025767666 /nfs/dbraw/zinc/76/76/66/1025767666.db2.gz SNZAPTWVFGJWAK-AWEZNQCLSA-N 1 2 339.233 3.531 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000081318820 1025767874 /nfs/dbraw/zinc/76/78/74/1025767874.db2.gz UZJGTMUQODXBTM-GOSISDBHSA-N 1 2 325.456 3.791 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000521896558 1025769755 /nfs/dbraw/zinc/76/97/55/1025769755.db2.gz QFNYUDSETZVJID-IVMMDQJWSA-N 1 2 333.476 3.673 20 0 EHADLO COc1cccc(C([NH2+]Cc2nc(C)c[nH]2)c2cccc(OC)c2)c1 ZINC000657386835 1025773320 /nfs/dbraw/zinc/77/33/20/1025773320.db2.gz IJJXPVHVNSJLSE-UHFFFAOYSA-N 1 2 337.423 3.615 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000436499877 1025785073 /nfs/dbraw/zinc/78/50/73/1025785073.db2.gz XYWZKJJJWLWVET-KRWDZBQOSA-N 1 2 343.427 3.813 20 0 EHADLO Cc1cccc2[nH]cc(CCNc3cc(N4CCCCC4)nc[nH+]3)c21 ZINC000521932336 1025796039 /nfs/dbraw/zinc/79/60/39/1025796039.db2.gz KUQADXZDWAZSJQ-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO Cc1cccc2[nH]cc(CCNc3cc(N4CCCCC4)[nH+]cn3)c21 ZINC000521932336 1025796054 /nfs/dbraw/zinc/79/60/54/1025796054.db2.gz KUQADXZDWAZSJQ-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO Nc1nc(N2CCC3(CCc4ccccc4O3)CC2)[nH+]c2ccccc12 ZINC000664564745 1025808745 /nfs/dbraw/zinc/80/87/45/1025808745.db2.gz HYEZZLJAWVTFEN-UHFFFAOYSA-N 1 2 346.434 3.576 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3csc4c3CC[C@@H](C)C4)n2)C1 ZINC000329404833 1025814814 /nfs/dbraw/zinc/81/48/14/1025814814.db2.gz ZBARAIPYGPETOD-IUODEOHRSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3csc4c3CC[C@@H](C)C4)n2)C1 ZINC000329404833 1025814831 /nfs/dbraw/zinc/81/48/31/1025814831.db2.gz ZBARAIPYGPETOD-IUODEOHRSA-N 1 2 347.484 3.705 20 0 EHADLO CCOc1c(Cl)cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000684820528 1025832970 /nfs/dbraw/zinc/83/29/70/1025832970.db2.gz CCCVUGWCRFBAQW-UHFFFAOYSA-N 1 2 345.786 3.647 20 0 EHADLO CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000521974970 1025851649 /nfs/dbraw/zinc/85/16/49/1025851649.db2.gz PWEFFXFDOIAZMX-LJQANCHMSA-N 1 2 341.459 3.759 20 0 EHADLO CC(C)c1[nH+]c(CNC[C@H](O)CCc2ccccc2)c2ccccn21 ZINC000522004364 1025876565 /nfs/dbraw/zinc/87/65/65/1025876565.db2.gz OLHOQCUYYJYCTK-GOSISDBHSA-N 1 2 337.467 3.541 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000522025609 1025882660 /nfs/dbraw/zinc/88/26/60/1025882660.db2.gz PDJZXSBTGHWKBF-AWEZNQCLSA-N 1 2 344.402 3.938 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000303986272 1025897510 /nfs/dbraw/zinc/89/75/10/1025897510.db2.gz IRMVDYBQOLEXGB-GUYCJALGSA-N 1 2 347.434 3.839 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCCCc2ccccc2)CC1 ZINC000896714004 1025916726 /nfs/dbraw/zinc/91/67/26/1025916726.db2.gz KUMDUZMMEKEBCV-UHFFFAOYSA-N 1 2 338.442 3.587 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCCCc2ccccc2)CC1 ZINC000896714004 1025916735 /nfs/dbraw/zinc/91/67/35/1025916735.db2.gz KUMDUZMMEKEBCV-UHFFFAOYSA-N 1 2 338.442 3.587 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)C[C@H](C)[C@@H]3C)cn2c1 ZINC000474946219 1025928050 /nfs/dbraw/zinc/92/80/50/1025928050.db2.gz MRHUORDJRQVVKX-PMPSAXMXSA-N 1 2 345.512 3.769 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443343221 1025934051 /nfs/dbraw/zinc/93/40/51/1025934051.db2.gz GMJIGONGLFFBBV-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443343221 1025934069 /nfs/dbraw/zinc/93/40/69/1025934069.db2.gz GMJIGONGLFFBBV-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1=C(c2ccccc2)CCC1 ZINC000451405979 1025935801 /nfs/dbraw/zinc/93/58/01/1025935801.db2.gz QRPSMJWIQKGDAY-UHFFFAOYSA-N 1 2 335.451 3.816 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000158433950 1025945517 /nfs/dbraw/zinc/94/55/17/1025945517.db2.gz OVSUXFXNDSJBDU-ZDUSSCGKSA-N 1 2 341.484 3.505 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(F)cc1Br ZINC001141910801 1025962448 /nfs/dbraw/zinc/96/24/48/1025962448.db2.gz XMGGOEYPEYHTCM-MEBBXXQBSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(F)cc1Br ZINC001141910801 1025962454 /nfs/dbraw/zinc/96/24/54/1025962454.db2.gz XMGGOEYPEYHTCM-MEBBXXQBSA-N 1 2 346.215 3.728 20 0 EHADLO CCCCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2)c(C)c1 ZINC000516087490 1025969962 /nfs/dbraw/zinc/96/99/62/1025969962.db2.gz RSYPUEDOXQPORC-UHFFFAOYSA-N 1 2 344.459 3.972 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000443409350 1025987645 /nfs/dbraw/zinc/98/76/45/1025987645.db2.gz NJFRLAVRDMJUCT-UHFFFAOYSA-N 1 2 342.405 3.704 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001167567287 1025992917 /nfs/dbraw/zinc/99/29/17/1025992917.db2.gz CNNOACHVZSSJBM-ARFHVFGLSA-N 1 2 349.475 3.699 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001167567287 1025992937 /nfs/dbraw/zinc/99/29/37/1025992937.db2.gz CNNOACHVZSSJBM-ARFHVFGLSA-N 1 2 349.475 3.699 20 0 EHADLO CC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000896916739 1025998953 /nfs/dbraw/zinc/99/89/53/1025998953.db2.gz IKDHIENCXFGCMR-CQSZACIVSA-N 1 2 339.361 3.855 20 0 EHADLO Brc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000342513555 1026010740 /nfs/dbraw/zinc/01/07/40/1026010740.db2.gz QZDCPQCAZKZKDF-UHFFFAOYSA-N 1 2 335.230 3.703 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717869 1026013703 /nfs/dbraw/zinc/01/37/03/1026013703.db2.gz SUBLNUKVRKCACY-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717869 1026013724 /nfs/dbraw/zinc/01/37/24/1026013724.db2.gz SUBLNUKVRKCACY-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451468105 1026016468 /nfs/dbraw/zinc/01/64/68/1026016468.db2.gz JWILIZZZZKLYPC-ZDUSSCGKSA-N 1 2 339.430 3.607 20 0 EHADLO CC1=CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474977611 1026020254 /nfs/dbraw/zinc/02/02/54/1026020254.db2.gz TYFPUUFWPPWMBO-OAHLLOKOSA-N 1 2 325.239 3.751 20 0 EHADLO CC1=CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474977611 1026020262 /nfs/dbraw/zinc/02/02/62/1026020262.db2.gz TYFPUUFWPPWMBO-OAHLLOKOSA-N 1 2 325.239 3.751 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000352754522 1026022137 /nfs/dbraw/zinc/02/21/37/1026022137.db2.gz UKPDHXMFCLUUMW-HNNXBMFYSA-N 1 2 335.411 3.518 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)no1 ZINC000451506070 1026025504 /nfs/dbraw/zinc/02/55/04/1026025504.db2.gz UEMLBMZLPRHOLG-IRXDYDNUSA-N 1 2 343.471 3.651 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451485492 1026029387 /nfs/dbraw/zinc/02/93/87/1026029387.db2.gz BCCBRQIKUUEDSE-FOIQADDNSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2cccc(OC3CCCC3)c2)[nH+]c1C ZINC000896921443 1026038537 /nfs/dbraw/zinc/03/85/37/1026038537.db2.gz NDEIJQPHHDKLJW-UHFFFAOYSA-N 1 2 341.455 3.597 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000443439198 1026043591 /nfs/dbraw/zinc/04/35/91/1026043591.db2.gz GSSJYUDDTVTWCO-JLTOFOAXSA-N 1 2 329.252 3.663 20 0 EHADLO Clc1cccc2nc(NC3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC000443445720 1026053240 /nfs/dbraw/zinc/05/32/40/1026053240.db2.gz RPLUWNRCOUBGOK-UHFFFAOYSA-N 1 2 338.842 3.786 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cocn1 ZINC000395056319 1026065833 /nfs/dbraw/zinc/06/58/33/1026065833.db2.gz BYVROIXHAODTDW-MRXNPFEDSA-N 1 2 329.400 3.799 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)n1 ZINC000451524597 1026079547 /nfs/dbraw/zinc/07/95/47/1026079547.db2.gz CULZQYNDIZEMFB-UHFFFAOYSA-N 1 2 333.838 3.985 20 0 EHADLO COCCc1noc(C[N@H+](C)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000103469756 1026093864 /nfs/dbraw/zinc/09/38/64/1026093864.db2.gz OUCVSWNCJOFMIT-CQSZACIVSA-N 1 2 325.412 3.605 20 0 EHADLO COCCc1noc(C[N@@H+](C)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000103469756 1026093882 /nfs/dbraw/zinc/09/38/82/1026093882.db2.gz OUCVSWNCJOFMIT-CQSZACIVSA-N 1 2 325.412 3.605 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c[nH+]1 ZINC000896826971 1026105328 /nfs/dbraw/zinc/10/53/28/1026105328.db2.gz HYYUJMIVASMVOJ-INIZCTEOSA-N 1 2 348.450 3.866 20 0 EHADLO CO[C@@H]1CCC[C@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821866 1026106953 /nfs/dbraw/zinc/10/69/53/1026106953.db2.gz WPXQYGNILSCXHX-DOTOQJQBSA-N 1 2 338.411 3.519 20 0 EHADLO CN(C)c1ccc(Nc2nn3cc(-c4ccccc4)nc3s2)c[nH+]1 ZINC000051649408 1026139612 /nfs/dbraw/zinc/13/96/12/1026139612.db2.gz CYXFOSZRPVIDTR-UHFFFAOYSA-N 1 2 336.424 3.662 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000657419093 1026151677 /nfs/dbraw/zinc/15/16/77/1026151677.db2.gz OEBALVOLRMBWNK-GOSISDBHSA-N 1 2 326.415 3.643 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000657419093 1026151682 /nfs/dbraw/zinc/15/16/82/1026151682.db2.gz OEBALVOLRMBWNK-GOSISDBHSA-N 1 2 326.415 3.643 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896956560 1026156846 /nfs/dbraw/zinc/15/68/46/1026156846.db2.gz OSIHBDLIWILRRJ-MRXNPFEDSA-N 1 2 343.471 3.729 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)c1 ZINC000657421245 1026173687 /nfs/dbraw/zinc/17/36/87/1026173687.db2.gz FGGKIJAYRYNBMO-NRFANRHFSA-N 1 2 332.451 3.876 20 0 EHADLO CC(C)OC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000530686816 1026200630 /nfs/dbraw/zinc/20/06/30/1026200630.db2.gz AIQQSPVIACFZQA-OAHLLOKOSA-N 1 2 329.444 3.611 20 0 EHADLO CC[C@H]1CN(CC)CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000451736901 1026271788 /nfs/dbraw/zinc/27/17/88/1026271788.db2.gz ZZAOKJHGJFKVNY-AWEZNQCLSA-N 1 2 330.394 3.500 20 0 EHADLO CC[C@H]1CN(CC)CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000451736901 1026271798 /nfs/dbraw/zinc/27/17/98/1026271798.db2.gz ZZAOKJHGJFKVNY-AWEZNQCLSA-N 1 2 330.394 3.500 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846532 1026341248 /nfs/dbraw/zinc/34/12/48/1026341248.db2.gz WQXHXVJGMMRCMD-HDWXEKECSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846532 1026341259 /nfs/dbraw/zinc/34/12/59/1026341259.db2.gz WQXHXVJGMMRCMD-HDWXEKECSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847838 1026343124 /nfs/dbraw/zinc/34/31/24/1026343124.db2.gz YTTAPSVQVRYJNH-DNVCBOLYSA-N 1 2 336.435 3.784 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847838 1026343130 /nfs/dbraw/zinc/34/31/30/1026343130.db2.gz YTTAPSVQVRYJNH-DNVCBOLYSA-N 1 2 336.435 3.784 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000530856181 1026354199 /nfs/dbraw/zinc/35/41/99/1026354199.db2.gz CBDKZFUVWODEAW-INIZCTEOSA-N 1 2 336.439 3.905 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1ccnn1C ZINC000192798904 1026367542 /nfs/dbraw/zinc/36/75/42/1026367542.db2.gz FLFIYIKDODEEIA-FOIQADDNSA-N 1 2 345.450 3.747 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C2CC2)cc1 ZINC000582475211 1026381879 /nfs/dbraw/zinc/38/18/79/1026381879.db2.gz FVKRUKQXJBZWKH-KSSFIOAISA-N 1 2 338.455 3.558 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)C1CC1 ZINC000530905111 1026388164 /nfs/dbraw/zinc/38/81/64/1026388164.db2.gz ZJTGMMIHSDLUKV-UONOGXRCSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)C1CC1 ZINC000530905111 1026388175 /nfs/dbraw/zinc/38/81/75/1026388175.db2.gz ZJTGMMIHSDLUKV-UONOGXRCSA-N 1 2 330.447 3.534 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)cc1 ZINC000475276076 1026427095 /nfs/dbraw/zinc/42/70/95/1026427095.db2.gz NRLPKQSJVAIRFZ-LJQANCHMSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451970864 1026427470 /nfs/dbraw/zinc/42/74/70/1026427470.db2.gz ZAZIJDWZKCRARD-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000452000929 1026442028 /nfs/dbraw/zinc/44/20/28/1026442028.db2.gz XHOVOJMDUUUECG-QGZVFWFLSA-N 1 2 328.435 3.867 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000452000929 1026442029 /nfs/dbraw/zinc/44/20/29/1026442029.db2.gz XHOVOJMDUUUECG-QGZVFWFLSA-N 1 2 328.435 3.867 20 0 EHADLO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(F)ccc1F ZINC000152644156 1026480798 /nfs/dbraw/zinc/48/07/98/1026480798.db2.gz VGAAAOSKQIQFNI-KRWDZBQOSA-N 1 2 328.366 3.786 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000511149061 1026492531 /nfs/dbraw/zinc/49/25/31/1026492531.db2.gz BWECKGQDJBDMDZ-QGZVFWFLSA-N 1 2 344.499 3.556 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000277667849 1026500582 /nfs/dbraw/zinc/50/05/82/1026500582.db2.gz DQUSEMNUAPNUDA-UHFFFAOYSA-N 1 2 343.393 3.759 20 0 EHADLO CCC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159157831 1026503470 /nfs/dbraw/zinc/50/34/70/1026503470.db2.gz QIEUQORDHDWVBV-UHFFFAOYSA-N 1 2 342.443 3.616 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccoc1 ZINC000342629194 1026510618 /nfs/dbraw/zinc/51/06/18/1026510618.db2.gz DNFXQKUWBWHCIE-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342629194 1026510623 /nfs/dbraw/zinc/51/06/23/1026510623.db2.gz DNFXQKUWBWHCIE-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000531055661 1026514264 /nfs/dbraw/zinc/51/42/64/1026514264.db2.gz XEPBGDWEANZBER-HXUWFJFHSA-N 1 2 345.446 3.932 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000342635099 1026529232 /nfs/dbraw/zinc/52/92/32/1026529232.db2.gz UIBUEZWOSNXSMO-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000152681587 1026529997 /nfs/dbraw/zinc/52/99/97/1026529997.db2.gz XDWKLKOXOONBFN-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000152681587 1026530002 /nfs/dbraw/zinc/53/00/02/1026530002.db2.gz XDWKLKOXOONBFN-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)no1 ZINC000342637351 1026533475 /nfs/dbraw/zinc/53/34/75/1026533475.db2.gz OSDTXGUBXGWAML-UHFFFAOYSA-N 1 2 335.407 3.834 20 0 EHADLO CCC[C@@H](CC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159234357 1026555143 /nfs/dbraw/zinc/55/51/43/1026555143.db2.gz QRYDODNQROPUTL-OAHLLOKOSA-N 1 2 330.432 3.662 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1Cl ZINC000431446147 1026582514 /nfs/dbraw/zinc/58/25/14/1026582514.db2.gz PVOHICOKNUZUQC-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1C(C)(C)C1(C)C ZINC000475414214 1026588206 /nfs/dbraw/zinc/58/82/06/1026588206.db2.gz ZACMNWOOSSJPDH-UHFFFAOYSA-N 1 2 334.508 3.549 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000073171755 1026629038 /nfs/dbraw/zinc/62/90/38/1026629038.db2.gz KRNJQAXOPLMKHG-MOPGFXCFSA-N 1 2 337.467 3.786 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+][C@H](C)c3ncc(Br)cn3)cc21 ZINC000657473885 1026634320 /nfs/dbraw/zinc/63/43/20/1026634320.db2.gz TXEBSYNNRWKUIL-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO Cc1cc(NCc2ccccc2CN2CCCC2=O)nc(C(C)C)[nH+]1 ZINC000301072874 1026674496 /nfs/dbraw/zinc/67/44/96/1026674496.db2.gz GJZLLVLLXNLBPK-UHFFFAOYSA-N 1 2 338.455 3.643 20 0 EHADLO c1csc([C@H](CNc2ccc3ccccc3n2)[NH+]2CCOCC2)c1 ZINC000301071277 1026674698 /nfs/dbraw/zinc/67/46/98/1026674698.db2.gz UQNAWQLTWXAPDI-KRWDZBQOSA-N 1 2 339.464 3.782 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531202017 1026683251 /nfs/dbraw/zinc/68/32/51/1026683251.db2.gz ZYOFBHDGCTYYTM-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531202017 1026683258 /nfs/dbraw/zinc/68/32/58/1026683258.db2.gz ZYOFBHDGCTYYTM-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(-c2cccnc2)n1 ZINC000301098789 1026683612 /nfs/dbraw/zinc/68/36/12/1026683612.db2.gz HOLMAZRVBFKWBE-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO c1c(CCNc2ncnc3sc4c(c32)CCCC4)[nH+]c2ccccn12 ZINC000301094351 1026684055 /nfs/dbraw/zinc/68/40/55/1026684055.db2.gz UUMWIXWTQDQNRS-UHFFFAOYSA-N 1 2 349.463 3.872 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)s1 ZINC000611643932 1026725804 /nfs/dbraw/zinc/72/58/04/1026725804.db2.gz MSJHDLQSSLWTKH-UHFFFAOYSA-N 1 2 347.459 3.661 20 0 EHADLO C[C@@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000738422305 1131469115 /nfs/dbraw/zinc/46/91/15/1131469115.db2.gz BEFCBRAKTMBMOP-GFCCVEGCSA-N 1 2 342.277 3.702 20 0 EHADLO Cc1cnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000301304571 1026756881 /nfs/dbraw/zinc/75/68/81/1026756881.db2.gz XLXZVOYJQOKWSB-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1OCCC(C)C ZINC000152884136 1026769559 /nfs/dbraw/zinc/76/95/59/1026769559.db2.gz VDLPNZCCRUKVBY-MRXNPFEDSA-N 1 2 341.455 3.818 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301380159 1026784343 /nfs/dbraw/zinc/78/43/43/1026784343.db2.gz TYZVVGUXTOOULI-UHFFFAOYSA-N 1 2 327.819 3.799 20 0 EHADLO COc1cccc(NC2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000301424089 1026799508 /nfs/dbraw/zinc/79/95/08/1026799508.db2.gz KBAODLQYTDMTAE-UHFFFAOYSA-N 1 2 340.471 3.998 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000115408292 1026807694 /nfs/dbraw/zinc/80/76/94/1026807694.db2.gz LKKQLZVELDUENC-LJQANCHMSA-N 1 2 348.450 3.762 20 0 EHADLO CSc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000531337808 1026809044 /nfs/dbraw/zinc/80/90/44/1026809044.db2.gz IBCYNOGJOMTYLO-MRXNPFEDSA-N 1 2 345.443 3.546 20 0 EHADLO CSc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000531337808 1026809055 /nfs/dbraw/zinc/80/90/55/1026809055.db2.gz IBCYNOGJOMTYLO-MRXNPFEDSA-N 1 2 345.443 3.546 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncnc2ccccc21 ZINC000301468988 1026817521 /nfs/dbraw/zinc/81/75/21/1026817521.db2.gz ZUHJSBNEDPTNJN-UHFFFAOYSA-N 1 2 347.466 3.768 20 0 EHADLO Oc1cccc2c1CC[C@H]2Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301493532 1026827018 /nfs/dbraw/zinc/82/70/18/1026827018.db2.gz QSYZITYMGHPERI-QGZVFWFLSA-N 1 2 343.390 3.621 20 0 EHADLO COc1ncc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cl ZINC000342718584 1026828447 /nfs/dbraw/zinc/82/84/47/1026828447.db2.gz YUYVEOSTGBXGAQ-LBPRGKRZSA-N 1 2 334.851 3.906 20 0 EHADLO Fc1cc(Cl)cnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000301532215 1026842748 /nfs/dbraw/zinc/84/27/48/1026842748.db2.gz KJEPRPBMIJSOBF-QPJJXVBHSA-N 1 2 331.822 3.710 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000122905956 1026853488 /nfs/dbraw/zinc/85/34/88/1026853488.db2.gz YWYRRWWUFPUUCG-UZLBHIALSA-N 1 2 348.450 3.612 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000342722907 1026854936 /nfs/dbraw/zinc/85/49/36/1026854936.db2.gz CYUDALANDHEZJD-BEFAXECRSA-N 1 2 338.455 3.506 20 0 EHADLO COc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301628113 1026880634 /nfs/dbraw/zinc/88/06/34/1026880634.db2.gz RGGYONPDLRVNPF-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Fc1ccc([C@@H](NCCCn2cc[nH+]c2)C(F)(F)F)cc1Cl ZINC000277771936 1026883588 /nfs/dbraw/zinc/88/35/88/1026883588.db2.gz LHMFMRYWVQESSR-CYBMUJFWSA-N 1 2 335.732 3.959 20 0 EHADLO CSc1ccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000531432717 1026906445 /nfs/dbraw/zinc/90/64/45/1026906445.db2.gz UDCVUPBNIHETJA-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO Cc1cc(C)cc(C2=N/C(=C\c3cc(-n4cc[nH+]c4)cs3)C(=O)O2)c1 ZINC000783685415 1026919535 /nfs/dbraw/zinc/91/95/35/1026919535.db2.gz XJERUQWZXIBXRM-MFOYZWKCSA-N 1 2 349.415 3.895 20 0 EHADLO CC(C)c1nnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000301744653 1026923780 /nfs/dbraw/zinc/92/37/80/1026923780.db2.gz GPKTUXHAUWIQQW-UHFFFAOYSA-N 1 2 345.516 3.808 20 0 EHADLO Cc1c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccn1C ZINC000684976868 1026928534 /nfs/dbraw/zinc/92/85/34/1026928534.db2.gz IUKGCODWIYODDF-UHFFFAOYSA-N 1 2 332.407 3.501 20 0 EHADLO Nc1nc(N2CCC(COc3ccccc3)CC2)[nH+]c2ccccc12 ZINC000301799754 1026941826 /nfs/dbraw/zinc/94/18/26/1026941826.db2.gz VGVLAJWZSVGILD-UHFFFAOYSA-N 1 2 334.423 3.507 20 0 EHADLO c1sc(-c2ccccn2)nc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277791913 1026954456 /nfs/dbraw/zinc/95/44/56/1026954456.db2.gz WMFZWVQNZRIFDT-UHFFFAOYSA-N 1 2 336.464 3.769 20 0 EHADLO OCC[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000305755046 1026955578 /nfs/dbraw/zinc/95/55/78/1026955578.db2.gz AIGRVBRYJFREHC-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@]2(CC=CCC2)C1 ZINC000301853789 1026965397 /nfs/dbraw/zinc/96/53/97/1026965397.db2.gz BHSYSZIZLQMFPE-IBGZPJMESA-N 1 2 325.460 3.908 20 0 EHADLO Cc1[nH+]cc(CN[C@H](C)c2nc(C(C)(C)C)no2)n1-c1ccccc1 ZINC000237359125 1026973470 /nfs/dbraw/zinc/97/34/70/1026973470.db2.gz UIDLULRYCPQDSJ-CYBMUJFWSA-N 1 2 339.443 3.712 20 0 EHADLO COc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1F ZINC000301880851 1026976719 /nfs/dbraw/zinc/97/67/19/1026976719.db2.gz KACOMVGNPGGBRI-NSHDSACASA-N 1 2 343.406 3.902 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCOc2ccc(F)cc21 ZINC000301883659 1026977737 /nfs/dbraw/zinc/97/77/37/1026977737.db2.gz LEILHMYHNMGLKQ-AWEZNQCLSA-N 1 2 341.390 3.656 20 0 EHADLO CN(Cc1csc(Br)c1)c1nc(N)c2ccccc2[nH+]1 ZINC000301895991 1026982788 /nfs/dbraw/zinc/98/27/88/1026982788.db2.gz UJWOMOXHWSSCJQ-UHFFFAOYSA-N 1 2 349.257 3.672 20 0 EHADLO Nc1nc(NCc2ccc(Br)s2)[nH+]c2ccccc12 ZINC000301899497 1026984722 /nfs/dbraw/zinc/98/47/22/1026984722.db2.gz XZXRJWLXPKMDMJ-UHFFFAOYSA-N 1 2 335.230 3.648 20 0 EHADLO Nc1nc(NC[C@@H](O)c2cc3ccccc3s2)[nH+]c2ccccc12 ZINC000301913489 1026991793 /nfs/dbraw/zinc/99/17/93/1026991793.db2.gz UHPPPFGXGIOUII-CQSZACIVSA-N 1 2 336.420 3.572 20 0 EHADLO O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000117590845 1027029350 /nfs/dbraw/zinc/02/93/50/1027029350.db2.gz XEBRJSGHROVFSS-CABCVRRESA-N 1 2 337.345 3.723 20 0 EHADLO C[C@H](C[NH+]1CCOCC1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000302056647 1027036912 /nfs/dbraw/zinc/03/69/12/1027036912.db2.gz AYVPGTAOYSOSRO-GFCCVEGCSA-N 1 2 337.876 3.596 20 0 EHADLO Cc1cc(N2CCO[C@H](CCc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000302127581 1027061019 /nfs/dbraw/zinc/06/10/19/1027061019.db2.gz IWZUCVACEVRXSS-GOSISDBHSA-N 1 2 325.456 3.746 20 0 EHADLO Cc1nc(N(C)Cc2nc3c(s2)CCCC3)c2c([nH+]1)CCCC2 ZINC000302126856 1027061902 /nfs/dbraw/zinc/06/19/02/1027061902.db2.gz ZSUHCFBPUKRAGT-UHFFFAOYSA-N 1 2 328.485 3.636 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000531580982 1027068335 /nfs/dbraw/zinc/06/83/35/1027068335.db2.gz QEXOZUJKUZVNQL-UHOSZYNNSA-N 1 2 325.456 3.562 20 0 EHADLO Cn1c[nH+]c2c1CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC000665699971 1027079177 /nfs/dbraw/zinc/07/91/77/1027079177.db2.gz BGMBZYVAPYEJFS-UHFFFAOYSA-N 1 2 349.772 3.517 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1OC ZINC000123266781 1027079739 /nfs/dbraw/zinc/07/97/39/1027079739.db2.gz ILAAYZUAQGJHOS-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1OC ZINC000123266781 1027079751 /nfs/dbraw/zinc/07/97/51/1027079751.db2.gz ILAAYZUAQGJHOS-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO Brc1ccc2c(c1)CN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000302185651 1027083193 /nfs/dbraw/zinc/08/31/93/1027083193.db2.gz UHOJKFNKTHRPSP-UHFFFAOYSA-N 1 2 345.244 3.581 20 0 EHADLO Brc1ccc2c(c1)CN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000302185651 1027083199 /nfs/dbraw/zinc/08/31/99/1027083199.db2.gz UHOJKFNKTHRPSP-UHFFFAOYSA-N 1 2 345.244 3.581 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302192029 1027083787 /nfs/dbraw/zinc/08/37/87/1027083787.db2.gz VXYKVTYZGQLAFI-BBRMVZONSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302192029 1027083793 /nfs/dbraw/zinc/08/37/93/1027083793.db2.gz VXYKVTYZGQLAFI-BBRMVZONSA-N 1 2 346.862 3.654 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000125670548 1027109505 /nfs/dbraw/zinc/10/95/05/1027109505.db2.gz QUMXHDKKXRJVFX-OAQYLSRUSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000125670548 1027109513 /nfs/dbraw/zinc/10/95/13/1027109513.db2.gz QUMXHDKKXRJVFX-OAQYLSRUSA-N 1 2 333.435 3.754 20 0 EHADLO CCC1(CO)CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000342797474 1027130923 /nfs/dbraw/zinc/13/09/23/1027130923.db2.gz GMAHEBQSOZRTRD-UHFFFAOYSA-N 1 2 335.341 3.709 20 0 EHADLO Cc1c[nH+]c(CN(Cc2cccc(Br)c2)C2CC2)n1C ZINC000342798025 1027132973 /nfs/dbraw/zinc/13/29/73/1027132973.db2.gz IHYHWRBPOYMRJU-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(F)F ZINC000419713595 1027148599 /nfs/dbraw/zinc/14/85/99/1027148599.db2.gz WFSWCQHRNNAHHH-ZETCQYMHSA-N 1 2 344.711 3.931 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000126116805 1027162014 /nfs/dbraw/zinc/16/20/14/1027162014.db2.gz VBWQRULEZUQDAF-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)s1 ZINC000075745129 1027166077 /nfs/dbraw/zinc/16/60/77/1027166077.db2.gz OIHLXUVDZZOMBL-JTQLQIEISA-N 1 2 331.363 3.881 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)s1 ZINC000075745129 1027166087 /nfs/dbraw/zinc/16/60/87/1027166087.db2.gz OIHLXUVDZZOMBL-JTQLQIEISA-N 1 2 331.363 3.881 20 0 EHADLO Cc1nc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC000302541015 1027186526 /nfs/dbraw/zinc/18/65/26/1027186526.db2.gz NVPSMBTUTGGSQZ-LRDDRELGSA-N 1 2 343.393 3.559 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342802880 1027190929 /nfs/dbraw/zinc/19/09/29/1027190929.db2.gz RMRBSDGOHLGFJU-PXNSSMCTSA-N 1 2 325.456 3.970 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000272955067 1027195191 /nfs/dbraw/zinc/19/51/91/1027195191.db2.gz OSONBKFHSUBSMW-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000272955067 1027195198 /nfs/dbraw/zinc/19/51/98/1027195198.db2.gz OSONBKFHSUBSMW-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO CCc1nnc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863448 1027200553 /nfs/dbraw/zinc/20/05/53/1027200553.db2.gz YREHOQWBPPLXDB-UONOGXRCSA-N 1 2 348.878 3.725 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCCS3)n2)C1 ZINC000272985037 1027209720 /nfs/dbraw/zinc/20/97/20/1027209720.db2.gz VPUDUVBGWXLKAO-JSGCOSHPSA-N 1 2 339.530 3.599 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCCS3)n2)C1 ZINC000272985037 1027209741 /nfs/dbraw/zinc/20/97/41/1027209741.db2.gz VPUDUVBGWXLKAO-JSGCOSHPSA-N 1 2 339.530 3.599 20 0 EHADLO O=C(Nc1ccc(CNc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000126610504 1027220419 /nfs/dbraw/zinc/22/04/19/1027220419.db2.gz SWFNABBTSJGPEB-KRWDZBQOSA-N 1 2 346.434 3.696 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000076051300 1027230864 /nfs/dbraw/zinc/23/08/64/1027230864.db2.gz XLHHBTCCBYXLOU-OLZOCXBDSA-N 1 2 332.835 3.713 20 0 EHADLO Cc1cc(Br)cnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302680195 1027234146 /nfs/dbraw/zinc/23/41/46/1027234146.db2.gz RPTTVVRTBIORCI-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071505 1027234970 /nfs/dbraw/zinc/23/49/70/1027234970.db2.gz QDMJEBBPBGBBEI-JKSUJKDBSA-N 1 2 331.485 3.766 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071505 1027234983 /nfs/dbraw/zinc/23/49/83/1027234983.db2.gz QDMJEBBPBGBBEI-JKSUJKDBSA-N 1 2 331.485 3.766 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)c1 ZINC000273045338 1027240695 /nfs/dbraw/zinc/24/06/95/1027240695.db2.gz XMNITJBMJOKKMJ-UHFFFAOYSA-N 1 2 340.471 3.745 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000076341591 1027273974 /nfs/dbraw/zinc/27/39/74/1027273974.db2.gz VNIUJNAYYVHRSL-HXUWFJFHSA-N 1 2 331.419 3.691 20 0 EHADLO CC[C@H](C)[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000453034733 1027275410 /nfs/dbraw/zinc/27/54/10/1027275410.db2.gz YBJWYJFFDGVLPX-LSDHHAIUSA-N 1 2 329.444 3.718 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470976 1027288179 /nfs/dbraw/zinc/28/81/79/1027288179.db2.gz OEJXMXWACOXSCI-QAPCUYQASA-N 1 2 326.444 3.763 20 0 EHADLO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1cscn1 ZINC000127300711 1027296073 /nfs/dbraw/zinc/29/60/73/1027296073.db2.gz NSPWZSAMTIQESR-CYBMUJFWSA-N 1 2 327.222 3.822 20 0 EHADLO Cc1ccc(Cl)cc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302825362 1027312116 /nfs/dbraw/zinc/31/21/16/1027312116.db2.gz GSZUNHVCNXJEAO-UHFFFAOYSA-N 1 2 334.876 3.604 20 0 EHADLO Cc1ccc(Cl)cc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302825362 1027312135 /nfs/dbraw/zinc/31/21/35/1027312135.db2.gz GSZUNHVCNXJEAO-UHFFFAOYSA-N 1 2 334.876 3.604 20 0 EHADLO C[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342811601 1027317187 /nfs/dbraw/zinc/31/71/87/1027317187.db2.gz GFVCMIBIXVFFAZ-HNNXBMFYSA-N 1 2 344.418 3.897 20 0 EHADLO O=C(Nc1cccc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127533777 1027319358 /nfs/dbraw/zinc/31/93/58/1027319358.db2.gz HAGQTGHKKFCDFS-QGZVFWFLSA-N 1 2 333.391 3.920 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657569095 1027325382 /nfs/dbraw/zinc/32/53/82/1027325382.db2.gz MSOZOWJRNZLRKV-BZNIZROVSA-N 1 2 326.375 3.781 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431482010 1027338376 /nfs/dbraw/zinc/33/83/76/1027338376.db2.gz ITBSCXBFTPLCRF-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccco1 ZINC000273263812 1027343674 /nfs/dbraw/zinc/34/36/74/1027343674.db2.gz LFYABOXLMVRMLZ-ZDUSSCGKSA-N 1 2 335.354 3.892 20 0 EHADLO CC(C)c1cc(NCc2nccc(C(F)(F)F)n2)nc(C(C)C)[nH+]1 ZINC000413518715 1027351810 /nfs/dbraw/zinc/35/18/10/1027351810.db2.gz RCYMNWZCSMZJSD-UHFFFAOYSA-N 1 2 339.365 3.566 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273416029 1027417635 /nfs/dbraw/zinc/41/76/35/1027417635.db2.gz JCFFNBDUHFNZET-JKSUJKDBSA-N 1 2 333.407 3.513 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273416029 1027417649 /nfs/dbraw/zinc/41/76/49/1027417649.db2.gz JCFFNBDUHFNZET-JKSUJKDBSA-N 1 2 333.407 3.513 20 0 EHADLO Clc1cc(CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc2c1OCCCO2 ZINC000329227145 1027423958 /nfs/dbraw/zinc/42/39/58/1027423958.db2.gz AYFLSTFDACVZJT-HNNXBMFYSA-N 1 2 347.846 3.604 20 0 EHADLO Clc1cc(CC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc2c1OCCCO2 ZINC000329227145 1027423970 /nfs/dbraw/zinc/42/39/70/1027423970.db2.gz AYFLSTFDACVZJT-HNNXBMFYSA-N 1 2 347.846 3.604 20 0 EHADLO Clc1cccc(-c2ccc(C[NH+]3CC(n4ccnn4)C3)s2)c1 ZINC000501718662 1027473784 /nfs/dbraw/zinc/47/37/84/1027473784.db2.gz RAEJAFPYHPLPQH-UHFFFAOYSA-N 1 2 330.844 3.717 20 0 EHADLO CCC[N@H+](Cc1cnc(CC)nc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414451135 1027480067 /nfs/dbraw/zinc/48/00/67/1027480067.db2.gz ZQZPAXXYYVELOB-MRXNPFEDSA-N 1 2 340.471 3.587 20 0 EHADLO CCC[N@@H+](Cc1cnc(CC)nc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414451135 1027480074 /nfs/dbraw/zinc/48/00/74/1027480074.db2.gz ZQZPAXXYYVELOB-MRXNPFEDSA-N 1 2 340.471 3.587 20 0 EHADLO c1cn(C2CN(c3ncnc4scc(-c5ccccc5)c43)C2)c[nH+]1 ZINC000531832836 1027493628 /nfs/dbraw/zinc/49/36/28/1027493628.db2.gz UECNFTQEDJCZRZ-UHFFFAOYSA-N 1 2 333.420 3.616 20 0 EHADLO OCc1cc2ccccc2nc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000077933971 1027503169 /nfs/dbraw/zinc/50/31/69/1027503169.db2.gz IKXLUSMQQTUEBK-UHFFFAOYSA-N 1 2 348.381 3.664 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Sc1ccccc1 ZINC000428355168 1027503674 /nfs/dbraw/zinc/50/36/74/1027503674.db2.gz DNLRZLKRIBJTGK-OAHLLOKOSA-N 1 2 349.459 3.779 20 0 EHADLO FC(F)(F)[C@H](C[NH2+]Cc1ncc(Cl)s1)OC1CCCC1 ZINC000657587910 1027509175 /nfs/dbraw/zinc/50/91/75/1027509175.db2.gz ZTRKSGSMPQEBIY-VIFPVBQESA-N 1 2 328.787 3.776 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H]2CCc3ccccc32)c2nccn2C)cc1 ZINC000129055807 1027514351 /nfs/dbraw/zinc/51/43/51/1027514351.db2.gz XTBJVAKASXZEAZ-PMACEKPBSA-N 1 2 333.435 3.795 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303279119 1027514985 /nfs/dbraw/zinc/51/49/85/1027514985.db2.gz ICOAOVPJEMHFLZ-CYBMUJFWSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303279119 1027515001 /nfs/dbraw/zinc/51/50/01/1027515001.db2.gz ICOAOVPJEMHFLZ-CYBMUJFWSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)c1ccc(Cc2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)cc1 ZINC000420483670 1027548012 /nfs/dbraw/zinc/54/80/12/1027548012.db2.gz WCQRUJVIVRJSDX-KRWDZBQOSA-N 1 2 329.444 3.566 20 0 EHADLO CC(C)c1ccc(Cc2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)cc1 ZINC000420483670 1027548024 /nfs/dbraw/zinc/54/80/24/1027548024.db2.gz WCQRUJVIVRJSDX-KRWDZBQOSA-N 1 2 329.444 3.566 20 0 EHADLO CCCCO[C@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273749769 1027599289 /nfs/dbraw/zinc/59/92/89/1027599289.db2.gz NFIHVPGHSSXBDM-CQSZACIVSA-N 1 2 326.400 3.859 20 0 EHADLO CC[C@@H]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCO1 ZINC000273756167 1027601895 /nfs/dbraw/zinc/60/18/95/1027601895.db2.gz NZADSORUDXYGFT-DLBZAZTESA-N 1 2 338.411 3.654 20 0 EHADLO c1nc2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)ccc2[nH]1 ZINC000273759532 1027604175 /nfs/dbraw/zinc/60/41/75/1027604175.db2.gz AWWVUHMKVXLYBA-SFHVURJKSA-N 1 2 345.406 3.950 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc([C@@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505809 1027609447 /nfs/dbraw/zinc/60/94/47/1027609447.db2.gz QEOVRXOZXKEZOD-KGLIPLIRSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc([C@@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505809 1027609452 /nfs/dbraw/zinc/60/94/52/1027609452.db2.gz QEOVRXOZXKEZOD-KGLIPLIRSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000303683882 1027621182 /nfs/dbraw/zinc/62/11/82/1027621182.db2.gz SSMKEOVBIYOBMZ-ATWMFIQVSA-N 1 2 336.426 3.648 20 0 EHADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000303683882 1027621195 /nfs/dbraw/zinc/62/11/95/1027621195.db2.gz SSMKEOVBIYOBMZ-ATWMFIQVSA-N 1 2 336.426 3.648 20 0 EHADLO CSCC[C@@H]([NH2+]Cc1ccc(Cl)o1)c1nnc2ccccn21 ZINC000078302950 1027632538 /nfs/dbraw/zinc/63/25/38/1027632538.db2.gz ADJZBDXARSPIOX-GFCCVEGCSA-N 1 2 336.848 3.560 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)cc1C ZINC000072622250 1027646670 /nfs/dbraw/zinc/64/66/70/1027646670.db2.gz NINDOZQINFGHNV-UHFFFAOYSA-N 1 2 340.452 3.961 20 0 EHADLO COC(=O)c1sc(SC)nc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085553 1027688366 /nfs/dbraw/zinc/68/83/66/1027688366.db2.gz KZPAKKITUMEQQM-UHFFFAOYSA-N 1 2 346.437 3.785 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C1CCC1 ZINC000130782627 1027704780 /nfs/dbraw/zinc/70/47/80/1027704780.db2.gz LEHSLGZZCPLWQR-INIZCTEOSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000130960076 1027719426 /nfs/dbraw/zinc/71/94/26/1027719426.db2.gz YUZWPUVGTTYXDV-KBXCAEBGSA-N 1 2 344.434 3.641 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cnc(C3CC3)o2)C[C@@H]2CCCO2)c1 ZINC000628158228 1027726041 /nfs/dbraw/zinc/72/60/41/1027726041.db2.gz IMEALMOROKAXKS-KRWDZBQOSA-N 1 2 330.403 3.872 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cnc(C3CC3)o2)C[C@@H]2CCCO2)c1 ZINC000628158228 1027726056 /nfs/dbraw/zinc/72/60/56/1027726056.db2.gz IMEALMOROKAXKS-KRWDZBQOSA-N 1 2 330.403 3.872 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459339830 1027733875 /nfs/dbraw/zinc/73/38/75/1027733875.db2.gz MFSGNLHVRYKQER-OAHLLOKOSA-N 1 2 329.831 3.661 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459339830 1027733895 /nfs/dbraw/zinc/73/38/95/1027733895.db2.gz MFSGNLHVRYKQER-OAHLLOKOSA-N 1 2 329.831 3.661 20 0 EHADLO CC(C)c1ccc(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152475261 1027740441 /nfs/dbraw/zinc/74/04/41/1027740441.db2.gz VWAAZCQRSLEMSF-LJQANCHMSA-N 1 2 337.467 3.533 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(N(C)c3ccccc3)CC2)n1 ZINC000065956359 1027747605 /nfs/dbraw/zinc/74/76/05/1027747605.db2.gz LHTMTMVEPMIJAD-UHFFFAOYSA-N 1 2 328.460 3.513 20 0 EHADLO Cc1cc(CNC(=O)NCc2cccc(OCC(C)C)c2)cc(C)[nH+]1 ZINC000420820465 1027757046 /nfs/dbraw/zinc/75/70/46/1027757046.db2.gz MHMDTPLCQKLWOA-UHFFFAOYSA-N 1 2 341.455 3.733 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc(C)[nH+]1 ZINC000420828557 1027763067 /nfs/dbraw/zinc/76/30/67/1027763067.db2.gz UPPKRKJBVZCQNV-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO COC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(Cl)cc1 ZINC000420833771 1027767846 /nfs/dbraw/zinc/76/78/46/1027767846.db2.gz GRIPCBQDHQPFMW-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000665838326 1027768530 /nfs/dbraw/zinc/76/85/30/1027768530.db2.gz XUVKOZPDFVFUBM-RTBURBONSA-N 1 2 337.467 3.764 20 0 EHADLO FC[C@@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000414473649 1027776240 /nfs/dbraw/zinc/77/62/40/1027776240.db2.gz BKHZQLATDVATLY-LLVKDONJSA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000414473649 1027776262 /nfs/dbraw/zinc/77/62/62/1027776262.db2.gz BKHZQLATDVATLY-LLVKDONJSA-N 1 2 325.733 3.919 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420821226 1027777065 /nfs/dbraw/zinc/77/70/65/1027777065.db2.gz XROQXOLLVMNDFW-UHFFFAOYSA-N 1 2 329.469 3.728 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc(C)[nH+]1 ZINC000420840723 1027783241 /nfs/dbraw/zinc/78/32/41/1027783241.db2.gz BEQROEHTTGLFHK-CRAIPNDOSA-N 1 2 341.430 3.925 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420848791 1027792665 /nfs/dbraw/zinc/79/26/65/1027792665.db2.gz MSDLCWYXPUFMLT-QGZVFWFLSA-N 1 2 325.456 3.779 20 0 EHADLO CC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1cc(F)ccc1F ZINC000420852851 1027798578 /nfs/dbraw/zinc/79/85/78/1027798578.db2.gz SWRKJVPECWWJES-KRWDZBQOSA-N 1 2 333.382 3.927 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1cccc(Br)c1Cl ZINC000414478179 1027837894 /nfs/dbraw/zinc/83/78/94/1027837894.db2.gz FHCRCJBEUGWBBS-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@H](c3ccncc3)C3CC3)n2)cc1 ZINC000934689121 1027888508 /nfs/dbraw/zinc/88/85/08/1027888508.db2.gz YMOJGVHQHGOITK-IBGZPJMESA-N 1 2 334.423 3.935 20 0 EHADLO C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(Cl)s1 ZINC000026812046 1027901901 /nfs/dbraw/zinc/90/19/01/1027901901.db2.gz HJLQLRLWWBKMIS-UHFFFAOYSA-N 1 2 348.899 3.681 20 0 EHADLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(Cl)s1 ZINC000026812046 1027901915 /nfs/dbraw/zinc/90/19/15/1027901915.db2.gz HJLQLRLWWBKMIS-UHFFFAOYSA-N 1 2 348.899 3.681 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420953985 1027918442 /nfs/dbraw/zinc/91/84/42/1027918442.db2.gz UAZZRUGRSDAMKF-ZDUSSCGKSA-N 1 2 344.377 3.688 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420953985 1027918457 /nfs/dbraw/zinc/91/84/57/1027918457.db2.gz UAZZRUGRSDAMKF-ZDUSSCGKSA-N 1 2 344.377 3.688 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428366545 1027929071 /nfs/dbraw/zinc/92/90/71/1027929071.db2.gz YLVDWKGBIOAGLG-PMACEKPBSA-N 1 2 341.451 3.999 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428366545 1027929086 /nfs/dbraw/zinc/92/90/86/1027929086.db2.gz YLVDWKGBIOAGLG-PMACEKPBSA-N 1 2 341.451 3.999 20 0 EHADLO CCn1nncc1C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000459359255 1027938824 /nfs/dbraw/zinc/93/88/24/1027938824.db2.gz GCPBPNDBGLEKRV-OAQYLSRUSA-N 1 2 348.450 3.606 20 0 EHADLO CCn1nncc1C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000459359255 1027938841 /nfs/dbraw/zinc/93/88/41/1027938841.db2.gz GCPBPNDBGLEKRV-OAQYLSRUSA-N 1 2 348.450 3.606 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503582715 1027943211 /nfs/dbraw/zinc/94/32/11/1027943211.db2.gz FVHMBQOHWUCMHB-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503582715 1027943222 /nfs/dbraw/zinc/94/32/22/1027943222.db2.gz FVHMBQOHWUCMHB-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132619151 1027946866 /nfs/dbraw/zinc/94/68/66/1027946866.db2.gz KAGQKUNQJKYSPA-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1C(F)(F)F ZINC000132647542 1027949248 /nfs/dbraw/zinc/94/92/48/1027949248.db2.gz ZTPLPQHJKBQCFG-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1C(F)(F)F ZINC000132647542 1027949267 /nfs/dbraw/zinc/94/92/67/1027949267.db2.gz ZTPLPQHJKBQCFG-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)no1 ZINC000421013582 1027968608 /nfs/dbraw/zinc/96/86/08/1027968608.db2.gz RINWOCWUPJCILP-UHFFFAOYSA-N 1 2 329.444 3.823 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)C2CC(OC(C)(C)C)C2)no1 ZINC000421013582 1027968625 /nfs/dbraw/zinc/96/86/25/1027968625.db2.gz RINWOCWUPJCILP-UHFFFAOYSA-N 1 2 329.444 3.823 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1N(C)c1ccccc1)Cn1cc[nH+]c1 ZINC000153477314 1027978767 /nfs/dbraw/zinc/97/87/67/1027978767.db2.gz FRORXRIVUABWCZ-KRWDZBQOSA-N 1 2 348.450 3.717 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C(C)(C)C ZINC000455304983 1027985018 /nfs/dbraw/zinc/98/50/18/1027985018.db2.gz OZRWUXNNSAYVJX-SJLPKXTDSA-N 1 2 346.519 3.685 20 0 EHADLO CC/C=C/CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455335371 1028021918 /nfs/dbraw/zinc/02/19/18/1028021918.db2.gz PCKDQBHHBSZPAY-QWNKOJSDSA-N 1 2 326.444 3.507 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1C ZINC000444562789 1028035682 /nfs/dbraw/zinc/03/56/82/1028035682.db2.gz WSVHDAUDDAXZSX-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO Cc1cc(CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc(C)[nH+]1 ZINC000421074634 1028061906 /nfs/dbraw/zinc/06/19/06/1028061906.db2.gz VWOODXHCGAHDAG-SNVBAGLBSA-N 1 2 330.457 3.601 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000533548328 1028063390 /nfs/dbraw/zinc/06/33/90/1028063390.db2.gz FGLJZRBPRKXLQW-RHSMWYFYSA-N 1 2 331.485 3.801 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH+]2CCC(C3CCOCC3)CC2)n1 ZINC000153516187 1028064913 /nfs/dbraw/zinc/06/49/13/1028064913.db2.gz YYFXSPOCWQOICY-ZDUSSCGKSA-N 1 2 339.505 3.522 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1ncnc3sc4c(c31)CCC4)CCC2 ZINC000533560872 1028085726 /nfs/dbraw/zinc/08/57/26/1028085726.db2.gz XOFXLGGASLVHAG-GFCCVEGCSA-N 1 2 339.468 3.674 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423008560 1028120813 /nfs/dbraw/zinc/12/08/13/1028120813.db2.gz TWXXCYDOUFMUEB-XIKOKIGWSA-N 1 2 348.393 3.629 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1COc1ccccc1)Cn1cc[nH+]c1 ZINC000153547573 1028144609 /nfs/dbraw/zinc/14/46/09/1028144609.db2.gz FTYBBXBYQMQCTC-QGZVFWFLSA-N 1 2 349.434 3.528 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCCc1ccc(Cl)cc1)c1ccco1 ZINC000444678199 1028147897 /nfs/dbraw/zinc/14/78/97/1028147897.db2.gz QYWLUSJEILTWGD-QGZVFWFLSA-N 1 2 347.842 3.839 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCCc1ccc(Cl)cc1)c1ccco1 ZINC000444678199 1028147905 /nfs/dbraw/zinc/14/79/05/1028147905.db2.gz QYWLUSJEILTWGD-QGZVFWFLSA-N 1 2 347.842 3.839 20 0 EHADLO CCCCOc1cccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423059872 1028154503 /nfs/dbraw/zinc/15/45/03/1028154503.db2.gz NAGVMQWKLHPCIH-QGZVFWFLSA-N 1 2 334.366 3.782 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692724 1028166505 /nfs/dbraw/zinc/16/65/05/1028166505.db2.gz MXAWGTSWVYQGTP-KGLIPLIRSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692724 1028166519 /nfs/dbraw/zinc/16/65/19/1028166519.db2.gz MXAWGTSWVYQGTP-KGLIPLIRSA-N 1 2 332.394 3.663 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(F)F)cc2F)c[nH+]1 ZINC000455436638 1028170313 /nfs/dbraw/zinc/17/03/13/1028170313.db2.gz UVEUDTUHCYUKRV-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO COCc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)o1 ZINC000161566517 1028174044 /nfs/dbraw/zinc/17/40/44/1028174044.db2.gz RJKQRGIWDXDLGZ-MRXNPFEDSA-N 1 2 342.443 3.548 20 0 EHADLO COCc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)o1 ZINC000161566517 1028174058 /nfs/dbraw/zinc/17/40/58/1028174058.db2.gz RJKQRGIWDXDLGZ-MRXNPFEDSA-N 1 2 342.443 3.548 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444719840 1028210406 /nfs/dbraw/zinc/21/04/06/1028210406.db2.gz NKYUGQFDYNMRSP-JQWIXIFHSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444719840 1028210423 /nfs/dbraw/zinc/21/04/23/1028210423.db2.gz NKYUGQFDYNMRSP-JQWIXIFHSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000444723665 1028216523 /nfs/dbraw/zinc/21/65/23/1028216523.db2.gz ACEHXZMMYXOFOS-GXFFZTMASA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000444723665 1028216540 /nfs/dbraw/zinc/21/65/40/1028216540.db2.gz ACEHXZMMYXOFOS-GXFFZTMASA-N 1 2 336.423 3.576 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000444728909 1028220132 /nfs/dbraw/zinc/22/01/32/1028220132.db2.gz CPLGAJPQVGUUCJ-HNNXBMFYSA-N 1 2 326.415 3.544 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000444728909 1028220146 /nfs/dbraw/zinc/22/01/46/1028220146.db2.gz CPLGAJPQVGUUCJ-HNNXBMFYSA-N 1 2 326.415 3.544 20 0 EHADLO O=C(CC[N@H+]1CCC[C@H]1C(F)F)Nc1ccc(Br)cc1 ZINC000353167146 1028224980 /nfs/dbraw/zinc/22/49/80/1028224980.db2.gz LPBVBLACOXUGJS-LBPRGKRZSA-N 1 2 347.203 3.507 20 0 EHADLO O=C(CC[N@@H+]1CCC[C@H]1C(F)F)Nc1ccc(Br)cc1 ZINC000353167146 1028224997 /nfs/dbraw/zinc/22/49/97/1028224997.db2.gz LPBVBLACOXUGJS-LBPRGKRZSA-N 1 2 347.203 3.507 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(COc2ccccc2)cc1 ZINC000091166044 1028266028 /nfs/dbraw/zinc/26/60/28/1028266028.db2.gz AMHNNOWLNKXYNY-UHFFFAOYSA-N 1 2 335.407 3.881 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423215076 1028283238 /nfs/dbraw/zinc/28/32/38/1028283238.db2.gz QDGMYVKIHPUGJK-SUFBMKPHSA-N 1 2 348.368 3.508 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NCc1ccco1 ZINC000444793246 1028287988 /nfs/dbraw/zinc/28/79/88/1028287988.db2.gz HAFOWEMMVQCIGM-QGZVFWFLSA-N 1 2 332.831 3.776 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NCc1ccco1 ZINC000444793246 1028288004 /nfs/dbraw/zinc/28/80/04/1028288004.db2.gz HAFOWEMMVQCIGM-QGZVFWFLSA-N 1 2 332.831 3.776 20 0 EHADLO Cc1cn2cc(NC(=O)NCC(C)(C)c3ccc(F)cc3)ccc2[nH+]1 ZINC000523425408 1028295244 /nfs/dbraw/zinc/29/52/44/1028295244.db2.gz QITYVYUEBWLIGQ-UHFFFAOYSA-N 1 2 340.402 3.881 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)no1 ZINC000056143818 1028311257 /nfs/dbraw/zinc/31/12/57/1028311257.db2.gz CDLXSKKUQJEQPW-RYUDHWBXSA-N 1 2 340.427 3.707 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511216679 1028319691 /nfs/dbraw/zinc/31/96/91/1028319691.db2.gz ZORCLOUMRPVIFR-QZTJIDSGSA-N 1 2 329.488 3.773 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502547004 1028334340 /nfs/dbraw/zinc/33/43/40/1028334340.db2.gz SJMQRPVSEWMZNH-CVEARBPZSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502547004 1028334350 /nfs/dbraw/zinc/33/43/50/1028334350.db2.gz SJMQRPVSEWMZNH-CVEARBPZSA-N 1 2 338.854 3.777 20 0 EHADLO COc1c(Cl)cccc1C[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000897483715 1028360467 /nfs/dbraw/zinc/36/04/67/1028360467.db2.gz UJOUDAKGEKSUCX-UHFFFAOYSA-N 1 2 334.634 3.679 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000475615458 1028368320 /nfs/dbraw/zinc/36/83/20/1028368320.db2.gz KRXCWPHLQGMCSE-YJBOKZPZSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000475615458 1028368337 /nfs/dbraw/zinc/36/83/37/1028368337.db2.gz KRXCWPHLQGMCSE-YJBOKZPZSA-N 1 2 339.863 3.509 20 0 EHADLO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]c1ccc(N(C)C)cc1 ZINC000121588408 1028405278 /nfs/dbraw/zinc/40/52/78/1028405278.db2.gz PWQNGENPAINWGE-HNNXBMFYSA-N 1 2 341.455 3.511 20 0 EHADLO C[C@@H](CCCOc1ccccc1C(N)=O)Nc1ccc([NH+](C)C)cc1 ZINC000121588408 1028405289 /nfs/dbraw/zinc/40/52/89/1028405289.db2.gz PWQNGENPAINWGE-HNNXBMFYSA-N 1 2 341.455 3.511 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000060602748 1028413746 /nfs/dbraw/zinc/41/37/46/1028413746.db2.gz GZVWQIIFXBGCQS-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000897333121 1028418362 /nfs/dbraw/zinc/41/83/62/1028418362.db2.gz BXSSZAHPGWRBCR-UHFFFAOYSA-N 1 2 327.325 3.619 20 0 EHADLO CN(CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000502616843 1028435910 /nfs/dbraw/zinc/43/59/10/1028435910.db2.gz ICGARXWENCFIOD-UHFFFAOYSA-N 1 2 332.492 3.650 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCc3c(F)cccc32)c[nH+]1 ZINC000455553535 1028435929 /nfs/dbraw/zinc/43/59/29/1028435929.db2.gz CQWQVHIHXLDNLT-GOSISDBHSA-N 1 2 327.403 3.714 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c[nH+]1 ZINC000455556831 1028444626 /nfs/dbraw/zinc/44/46/26/1028444626.db2.gz HNFALQUQNDZNQK-KRWDZBQOSA-N 1 2 325.412 3.728 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cs1 ZINC000162101126 1028445339 /nfs/dbraw/zinc/44/53/39/1028445339.db2.gz MYHZUJPRLDNZRL-GXTWGEPZSA-N 1 2 347.459 3.691 20 0 EHADLO COc1ccc([C@@H](NC(=O)NCc2c[nH+]c(C)cc2C)C(C)C)cc1 ZINC000455562277 1028474810 /nfs/dbraw/zinc/47/48/10/1028474810.db2.gz RYCVSWKZRCFEHR-IBGZPJMESA-N 1 2 341.455 3.904 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc2c1CCC2 ZINC000194320658 1028507551 /nfs/dbraw/zinc/50/75/51/1028507551.db2.gz JWEGZMMWLVKLDZ-UHFFFAOYSA-N 1 2 341.480 3.870 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC=C(C)C2)c(C)c1 ZINC000583002990 1028518828 /nfs/dbraw/zinc/51/88/28/1028518828.db2.gz INXRPBUOFCSWOS-IBGZPJMESA-N 1 2 338.455 3.603 20 0 EHADLO Cc1cc(CNC(=O)CCc2cccc(Br)c2)cc(C)[nH+]1 ZINC000421552868 1028552166 /nfs/dbraw/zinc/55/21/66/1028552166.db2.gz CQARWVGFFVBWOI-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3c(F)cccc3F)CCC2)c[nH+]1 ZINC000421553186 1028554705 /nfs/dbraw/zinc/55/47/05/1028554705.db2.gz LRAKIXCWKNWTMZ-UHFFFAOYSA-N 1 2 330.378 3.715 20 0 EHADLO Cc1cc(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000421576761 1028569375 /nfs/dbraw/zinc/56/93/75/1028569375.db2.gz NJUQUOWHCUOHKT-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(Br)c2C)cc(C)[nH+]1 ZINC000421577279 1028572002 /nfs/dbraw/zinc/57/20/02/1028572002.db2.gz ORSZLCFCOUMKEO-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CCC[C@H](C(=O)OCC)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000502702625 1028573460 /nfs/dbraw/zinc/57/34/60/1028573460.db2.gz PPGUAYCQXZBWKR-CQSZACIVSA-N 1 2 325.474 3.581 20 0 EHADLO CCC[C@H](C(=O)OCC)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000502702625 1028573469 /nfs/dbraw/zinc/57/34/69/1028573469.db2.gz PPGUAYCQXZBWKR-CQSZACIVSA-N 1 2 325.474 3.581 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccc3ncccc3c2)c2ncc[nH]2)cc1 ZINC000195148908 1028588261 /nfs/dbraw/zinc/58/82/61/1028588261.db2.gz IYVMSVRJMVEDED-IBGZPJMESA-N 1 2 332.382 3.976 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)C[C@@H](O)C(F)(F)F ZINC000428393058 1028603797 /nfs/dbraw/zinc/60/37/97/1028603797.db2.gz MGAFSTCROUNSOP-LLVKDONJSA-N 1 2 346.176 3.747 20 0 EHADLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)C[C@@H](O)C(F)(F)F ZINC000428393058 1028603803 /nfs/dbraw/zinc/60/38/03/1028603803.db2.gz MGAFSTCROUNSOP-LLVKDONJSA-N 1 2 346.176 3.747 20 0 EHADLO CCOCc1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000074559876 1028624846 /nfs/dbraw/zinc/62/48/46/1028624846.db2.gz PCQTYHZLGGLMMD-UHFFFAOYSA-N 1 2 335.407 3.970 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3ccc(Br)cc3)ccc2[nH+]1 ZINC000074859600 1028635824 /nfs/dbraw/zinc/63/58/24/1028635824.db2.gz QBKYLMDYLTXBNW-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1 ZINC000195514581 1028639047 /nfs/dbraw/zinc/63/90/47/1028639047.db2.gz APBTZHLHCJVPEY-OAHLLOKOSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1 ZINC000195514581 1028639052 /nfs/dbraw/zinc/63/90/52/1028639052.db2.gz APBTZHLHCJVPEY-OAHLLOKOSA-N 1 2 341.455 3.764 20 0 EHADLO COc1cc(C)c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000237290156 1028646486 /nfs/dbraw/zinc/64/64/86/1028646486.db2.gz DDFOMCMNGASYKU-LBPRGKRZSA-N 1 2 333.432 3.544 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153707170 1028649495 /nfs/dbraw/zinc/64/94/95/1028649495.db2.gz FISHSJUJOUZCAA-INIZCTEOSA-N 1 2 335.407 3.742 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C)cc2)no1 ZINC000583052467 1028680398 /nfs/dbraw/zinc/68/03/98/1028680398.db2.gz AMCIUCHRXBZRQV-UHFFFAOYSA-N 1 2 330.428 3.784 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245382989 1028702702 /nfs/dbraw/zinc/70/27/02/1028702702.db2.gz MINYFCCZABSVPL-GDBMZVCRSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245382989 1028702718 /nfs/dbraw/zinc/70/27/18/1028702718.db2.gz MINYFCCZABSVPL-GDBMZVCRSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@@H]1C[C@H]1[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000246890398 1028709691 /nfs/dbraw/zinc/70/96/91/1028709691.db2.gz OZOJRTNGZSVDAO-XYPHTWIQSA-N 1 2 346.862 3.623 20 0 EHADLO C[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000429741484 1028722108 /nfs/dbraw/zinc/72/21/08/1028722108.db2.gz FIHXHOKIYQOWOA-HZPDHXFCSA-N 1 2 342.443 3.614 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 ZINC000052085695 1028771481 /nfs/dbraw/zinc/77/14/81/1028771481.db2.gz HUDCSRPJJAHXCP-CQSZACIVSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 ZINC000052085695 1028771497 /nfs/dbraw/zinc/77/14/97/1028771497.db2.gz HUDCSRPJJAHXCP-CQSZACIVSA-N 1 2 343.500 3.890 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3cc(F)ccc3F)[nH+]c12 ZINC000524012064 1028778246 /nfs/dbraw/zinc/77/82/46/1028778246.db2.gz DLBGEBHZSDBZNU-CYBMUJFWSA-N 1 2 343.377 3.683 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000524013894 1028779198 /nfs/dbraw/zinc/77/91/98/1028779198.db2.gz BHXRNYHWRQTZDM-ZDUSSCGKSA-N 1 2 343.377 3.683 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454328012 1028780395 /nfs/dbraw/zinc/78/03/95/1028780395.db2.gz RCWGRAXTHMHWFG-SJORKVTESA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)c1ccc(O[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000583088227 1028787173 /nfs/dbraw/zinc/78/71/73/1028787173.db2.gz XOQDSRXHFFSCBK-JKSUJKDBSA-N 1 2 329.444 3.541 20 0 EHADLO Oc1ccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000445464212 1028809534 /nfs/dbraw/zinc/80/95/34/1028809534.db2.gz SMDPGQDWJZTNTR-FPYGCLRLSA-N 1 2 348.337 3.937 20 0 EHADLO C[C@@H]1CC[N@H+](CCCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247689374 1028810819 /nfs/dbraw/zinc/81/08/19/1028810819.db2.gz VQNPZINVCMJXSG-SJLPKXTDSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@@H]1CC[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247689374 1028810838 /nfs/dbraw/zinc/81/08/38/1028810838.db2.gz VQNPZINVCMJXSG-SJLPKXTDSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000247697697 1028813494 /nfs/dbraw/zinc/81/34/94/1028813494.db2.gz UDZVCGCCFNUAGN-QEMXTEJRSA-N 1 2 349.478 3.587 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000524069988 1028816607 /nfs/dbraw/zinc/81/66/07/1028816607.db2.gz KHNMHTADANPRHL-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000524069988 1028816628 /nfs/dbraw/zinc/81/66/28/1028816628.db2.gz KHNMHTADANPRHL-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245553745 1028825153 /nfs/dbraw/zinc/82/51/53/1028825153.db2.gz RQRLPQIIPGVIBM-TZMCWYRMSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245553745 1028825169 /nfs/dbraw/zinc/82/51/69/1028825169.db2.gz RQRLPQIIPGVIBM-TZMCWYRMSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccncc1Cl ZINC000421852403 1028843336 /nfs/dbraw/zinc/84/33/36/1028843336.db2.gz ICZSYYWOJAEJAJ-OTYXRUKQSA-N 1 2 329.202 3.912 20 0 EHADLO COCc1nc(C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)cs1 ZINC000421856855 1028848451 /nfs/dbraw/zinc/84/84/51/1028848451.db2.gz PGDBOIFIWZCZQU-KRWDZBQOSA-N 1 2 336.432 3.678 20 0 EHADLO C[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1csnn1 ZINC000414555196 1028852636 /nfs/dbraw/zinc/85/26/36/1028852636.db2.gz WGDGHOGJSSTRHL-MRVPVSSYSA-N 1 2 342.251 3.972 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(F)cc1OC1CCOCC1 ZINC000424165815 1028865495 /nfs/dbraw/zinc/86/54/95/1028865495.db2.gz BOYYKQJBTSCESQ-UHFFFAOYSA-N 1 2 333.407 3.773 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000524121197 1028889728 /nfs/dbraw/zinc/88/97/28/1028889728.db2.gz MHIBSBDRWUJTHX-MSOLQXFVSA-N 1 2 344.499 3.556 20 0 EHADLO O=[S@](C/C=C\c1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445538721 1028902626 /nfs/dbraw/zinc/90/26/26/1028902626.db2.gz NFJCUKKESUZQTN-TUHZNUCUSA-N 1 2 336.460 3.894 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000248435407 1028902562 /nfs/dbraw/zinc/90/25/62/1028902562.db2.gz ACZBBXLJTHLIRI-BLLLJJGKSA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000248435407 1028902572 /nfs/dbraw/zinc/90/25/72/1028902572.db2.gz ACZBBXLJTHLIRI-BLLLJJGKSA-N 1 2 336.432 3.643 20 0 EHADLO Cc1cc(CNC(=O)CCCCC(=O)c2ccc(F)cc2)cc(C)[nH+]1 ZINC000421916896 1028918334 /nfs/dbraw/zinc/91/83/34/1028918334.db2.gz JJEHCDJORCTCQL-UHFFFAOYSA-N 1 2 342.414 3.897 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OCC(C)C ZINC000414559568 1028926736 /nfs/dbraw/zinc/92/67/36/1028926736.db2.gz UZYDIEHZACMTLI-UHFFFAOYSA-N 1 2 347.484 3.749 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000524162679 1028929891 /nfs/dbraw/zinc/92/98/91/1028929891.db2.gz LUBRTKJSRWCLBH-NRFANRHFSA-N 1 2 347.462 3.817 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000248633896 1028930682 /nfs/dbraw/zinc/93/06/82/1028930682.db2.gz UHLUCRJVQHCXRD-GUYCJALGSA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000248633896 1028930687 /nfs/dbraw/zinc/93/06/87/1028930687.db2.gz UHLUCRJVQHCXRD-GUYCJALGSA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000248633767 1028931062 /nfs/dbraw/zinc/93/10/62/1028931062.db2.gz UHLUCRJVQHCXRD-DYVFJYSZSA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000248633767 1028931075 /nfs/dbraw/zinc/93/10/75/1028931075.db2.gz UHLUCRJVQHCXRD-DYVFJYSZSA-N 1 2 346.402 3.729 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1cnn(C)c1 ZINC000153990592 1028956183 /nfs/dbraw/zinc/95/61/83/1028956183.db2.gz WQIGWIDVBJJEBO-FOIQADDNSA-N 1 2 345.450 3.747 20 0 EHADLO Cc1cccn2cc(CC(=O)N(c3ccccn3)C3CCCC3)[nH+]c12 ZINC000532878143 1028964885 /nfs/dbraw/zinc/96/48/85/1028964885.db2.gz PMOZNHWOPMQPQH-UHFFFAOYSA-N 1 2 334.423 3.556 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414560602 1028965528 /nfs/dbraw/zinc/96/55/28/1028965528.db2.gz WZWRSQMPRLMAAM-UHFFFAOYSA-N 1 2 345.468 3.661 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CC(C)(C)Cc3occc32)s1 ZINC000424327494 1028975959 /nfs/dbraw/zinc/97/59/59/1028975959.db2.gz MQQNJGGJGFKPIN-JQWIXIFHSA-N 1 2 334.441 3.887 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459383962 1028983192 /nfs/dbraw/zinc/98/31/92/1028983192.db2.gz HKLWXLBHXMQQST-XFQXTVEOSA-N 1 2 345.487 3.636 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000503042633 1029006790 /nfs/dbraw/zinc/00/67/90/1029006790.db2.gz AHISGDXFFAXDIP-QGZVFWFLSA-N 1 2 337.439 3.727 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000503042633 1029006802 /nfs/dbraw/zinc/00/68/02/1029006802.db2.gz AHISGDXFFAXDIP-QGZVFWFLSA-N 1 2 337.439 3.727 20 0 EHADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000154114166 1029009991 /nfs/dbraw/zinc/00/99/91/1029009991.db2.gz OLYOLOHUSQIRKX-RHSMWYFYSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000154114166 1029010009 /nfs/dbraw/zinc/01/00/09/1029010009.db2.gz OLYOLOHUSQIRKX-RHSMWYFYSA-N 1 2 344.434 3.530 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000503087370 1029043735 /nfs/dbraw/zinc/04/37/35/1029043735.db2.gz JUQIWUKOBWIWRA-RHSMWYFYSA-N 1 2 348.878 3.964 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3c2cccc3Br)n1 ZINC000393324287 1029062745 /nfs/dbraw/zinc/06/27/45/1029062745.db2.gz UXOCBCPZSAUJLK-ZDUSSCGKSA-N 1 2 340.652 3.613 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245710470 1029103084 /nfs/dbraw/zinc/10/30/84/1029103084.db2.gz FEJYQOYGWMQGRW-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245710470 1029103096 /nfs/dbraw/zinc/10/30/96/1029103096.db2.gz FEJYQOYGWMQGRW-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO CN(CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000503165913 1029116435 /nfs/dbraw/zinc/11/64/35/1029116435.db2.gz FGMXTTWTCHAHTQ-LJQANCHMSA-N 1 2 347.466 3.745 20 0 EHADLO CN(CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000503165913 1029116447 /nfs/dbraw/zinc/11/64/47/1029116447.db2.gz FGMXTTWTCHAHTQ-LJQANCHMSA-N 1 2 347.466 3.745 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000077679343 1029137650 /nfs/dbraw/zinc/13/76/50/1029137650.db2.gz OSPNSUFHSGKUBN-ZACQAIPSSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000077679343 1029137654 /nfs/dbraw/zinc/13/76/54/1029137654.db2.gz OSPNSUFHSGKUBN-ZACQAIPSSA-N 1 2 345.487 3.560 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(Cc3ccccc3C)no2)cc1 ZINC000271730365 1029142878 /nfs/dbraw/zinc/14/28/78/1029142878.db2.gz YKFRFKBHKRYGOW-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cc(F)ccc3C)CC2)cc1 ZINC000445818048 1029151274 /nfs/dbraw/zinc/15/12/74/1029151274.db2.gz JEYIYZCNHATEQC-UHFFFAOYSA-N 1 2 341.430 3.792 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[C@@H](F)C3)n2)CC1 ZINC000424600088 1029158251 /nfs/dbraw/zinc/15/82/51/1029158251.db2.gz CEUKNXAYSSLWIZ-UONOGXRCSA-N 1 2 339.480 3.842 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC12CCCCCC2 ZINC000827985028 1029171762 /nfs/dbraw/zinc/17/17/62/1029171762.db2.gz HESLGKNDIUDUJD-AEFFLSMTSA-N 1 2 329.488 3.653 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1nccn1C ZINC000271805262 1029178970 /nfs/dbraw/zinc/17/89/70/1029178970.db2.gz KYHZBWLTVBPVHR-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Br)ccc1F)c1nccn1C ZINC000271805265 1029179403 /nfs/dbraw/zinc/17/94/03/1029179403.db2.gz KYHZBWLTVBPVHR-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000271811699 1029184280 /nfs/dbraw/zinc/18/42/80/1029184280.db2.gz YNWRADTXRKVYQV-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO Clc1cc2c(s1)CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000583202763 1029214783 /nfs/dbraw/zinc/21/47/83/1029214783.db2.gz YIVXCVGIXYQWSM-UHFFFAOYSA-N 1 2 334.876 3.745 20 0 EHADLO Clc1cc2c(s1)CCN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000583202763 1029214798 /nfs/dbraw/zinc/21/47/98/1029214798.db2.gz YIVXCVGIXYQWSM-UHFFFAOYSA-N 1 2 334.876 3.745 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000161615019 1029236435 /nfs/dbraw/zinc/23/64/35/1029236435.db2.gz NNYXATZYRCKIIF-UHFFFAOYSA-N 1 2 342.405 3.526 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000161615019 1029236450 /nfs/dbraw/zinc/23/64/50/1029236450.db2.gz NNYXATZYRCKIIF-UHFFFAOYSA-N 1 2 342.405 3.526 20 0 EHADLO Fc1ccc2oc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)nc2c1 ZINC000114448267 1029239349 /nfs/dbraw/zinc/23/93/49/1029239349.db2.gz CTDICUCGRXECSL-UHFFFAOYSA-N 1 2 326.306 3.904 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(c3ccccc3Cl)CC2)c[nH+]1 ZINC000454735694 1029247308 /nfs/dbraw/zinc/24/73/08/1029247308.db2.gz BHQFRNKQAKTSLQ-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000079851980 1029253402 /nfs/dbraw/zinc/25/34/02/1029253402.db2.gz FPRDURLEOYDWPI-DYESRHJHSA-N 1 2 339.483 3.654 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000524524394 1029263625 /nfs/dbraw/zinc/26/36/25/1029263625.db2.gz WKCMMWCAZCSXPQ-UHFFFAOYSA-N 1 2 340.471 3.513 20 0 EHADLO CCCc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1Cc1ccccc1 ZINC000078349847 1029278396 /nfs/dbraw/zinc/27/83/96/1029278396.db2.gz PENAQAIVKUUCKG-UHFFFAOYSA-N 1 2 334.423 3.840 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC=CCC2)c(C)c1 ZINC000533077698 1029282114 /nfs/dbraw/zinc/28/21/14/1029282114.db2.gz HZOTZBCRIVIILF-PKOBYXMFSA-N 1 2 338.455 3.649 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000505128733 1029282549 /nfs/dbraw/zinc/28/25/49/1029282549.db2.gz FIESQQVXGUHHRR-IEBWSBKVSA-N 1 2 337.467 3.591 20 0 EHADLO Cn1ccnc1C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000124616259 1029284071 /nfs/dbraw/zinc/28/40/71/1029284071.db2.gz TZHYZQCVIWRQMC-UHFFFAOYSA-N 1 2 335.451 3.658 20 0 EHADLO Cn1ccnc1C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000124616259 1029284081 /nfs/dbraw/zinc/28/40/81/1029284081.db2.gz TZHYZQCVIWRQMC-UHFFFAOYSA-N 1 2 335.451 3.658 20 0 EHADLO O=C(COc1ccccc1Cl)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161812490 1029292810 /nfs/dbraw/zinc/29/28/10/1029292810.db2.gz WAOBABBAFFASCW-UHFFFAOYSA-N 1 2 327.771 3.748 20 0 EHADLO CC[C@@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000533084756 1029294319 /nfs/dbraw/zinc/29/43/19/1029294319.db2.gz ZFULIMPAFBBKJZ-IEBWSBKVSA-N 1 2 340.471 3.683 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000446004727 1029302692 /nfs/dbraw/zinc/30/26/92/1029302692.db2.gz WFBLZUOUTLYJSD-CWRNSKLLSA-N 1 2 341.373 3.883 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccoc1C)[C@H](C)c1ccc(F)cc1 ZINC000065603380 1029309963 /nfs/dbraw/zinc/30/99/63/1029309963.db2.gz ZORPNTQOHSXRRP-CQSZACIVSA-N 1 2 332.419 3.769 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccoc1C)[C@H](C)c1ccc(F)cc1 ZINC000065603380 1029309977 /nfs/dbraw/zinc/30/99/77/1029309977.db2.gz ZORPNTQOHSXRRP-CQSZACIVSA-N 1 2 332.419 3.769 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCOc3c(F)cccc32)c[nH+]1 ZINC000454778358 1029322465 /nfs/dbraw/zinc/32/24/65/1029322465.db2.gz QHFAIUVGPVVRAI-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C)c1F ZINC000343125268 1029334336 /nfs/dbraw/zinc/33/43/36/1029334336.db2.gz QBJMQUBFFSCDDW-UHFFFAOYSA-N 1 2 341.361 3.697 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535969918 1029335455 /nfs/dbraw/zinc/33/54/55/1029335455.db2.gz CPNKKTILLWWXCP-OAHLLOKOSA-N 1 2 342.443 3.537 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524594776 1029348020 /nfs/dbraw/zinc/34/80/20/1029348020.db2.gz VUIQUVTYHWEYMP-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524594776 1029348036 /nfs/dbraw/zinc/34/80/36/1029348036.db2.gz VUIQUVTYHWEYMP-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CCC1 ZINC000524595446 1029350322 /nfs/dbraw/zinc/35/03/22/1029350322.db2.gz KTWNWUWPUQATAD-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CCC1 ZINC000524595446 1029350333 /nfs/dbraw/zinc/35/03/33/1029350333.db2.gz KTWNWUWPUQATAD-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000272236097 1029374538 /nfs/dbraw/zinc/37/45/38/1029374538.db2.gz FOPKMXGRSVOHEI-FZKQIMNGSA-N 1 2 331.387 3.502 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000272236097 1029374559 /nfs/dbraw/zinc/37/45/59/1029374559.db2.gz FOPKMXGRSVOHEI-FZKQIMNGSA-N 1 2 331.387 3.502 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000272235025 1029375256 /nfs/dbraw/zinc/37/52/56/1029375256.db2.gz UREGIJQTLDTWEN-OBNKQFAMSA-N 1 2 342.483 3.670 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000424852251 1029386296 /nfs/dbraw/zinc/38/62/96/1029386296.db2.gz KUXBBYBSKUDOAW-CRAIPNDOSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ccc(-c2noc([C@@H]([NH3+])c3ccccc3Br)n2)cc1 ZINC001212088930 1029391225 /nfs/dbraw/zinc/39/12/25/1029391225.db2.gz NANMSMJTCXGLCS-AWEZNQCLSA-N 1 2 344.212 3.856 20 0 EHADLO COCC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C)o1 ZINC000272273064 1029391497 /nfs/dbraw/zinc/39/14/97/1029391497.db2.gz KPXTWBPSSGSNNB-OAHLLOKOSA-N 1 2 333.819 3.757 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000446091328 1029405411 /nfs/dbraw/zinc/40/54/11/1029405411.db2.gz OWYWVHHUKGMTSQ-UHFFFAOYSA-N 1 2 329.743 3.574 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)sc1C ZINC000257365146 1029413930 /nfs/dbraw/zinc/41/39/30/1029413930.db2.gz GBXJXPIDZLMJJE-PVXIVEMSSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)sc1C ZINC000257365146 1029413940 /nfs/dbraw/zinc/41/39/40/1029413940.db2.gz GBXJXPIDZLMJJE-PVXIVEMSSA-N 1 2 329.469 3.780 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000533221105 1029484124 /nfs/dbraw/zinc/48/41/24/1029484124.db2.gz BDKDCTOQPRLLQK-OAHLLOKOSA-N 1 2 345.443 3.547 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000533221105 1029484128 /nfs/dbraw/zinc/48/41/28/1029484128.db2.gz BDKDCTOQPRLLQK-OAHLLOKOSA-N 1 2 345.443 3.547 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000155248942 1029485664 /nfs/dbraw/zinc/48/56/64/1029485664.db2.gz LJYXIANDGSMKKF-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000155248942 1029485678 /nfs/dbraw/zinc/48/56/78/1029485678.db2.gz LJYXIANDGSMKKF-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000155249065 1029485771 /nfs/dbraw/zinc/48/57/71/1029485771.db2.gz LJYXIANDGSMKKF-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000155249065 1029485781 /nfs/dbraw/zinc/48/57/81/1029485781.db2.gz LJYXIANDGSMKKF-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000272523007 1029495450 /nfs/dbraw/zinc/49/54/50/1029495450.db2.gz ZTHMMJNRQKTWAO-AWEZNQCLSA-N 1 2 344.484 3.715 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C2CC2)C2CC2)CC1 ZINC000545913372 1029514128 /nfs/dbraw/zinc/51/41/28/1029514128.db2.gz NHTLLPVVGJYOST-AWEZNQCLSA-N 1 2 347.528 3.573 20 0 EHADLO CCCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)C)cc1 ZINC000665924343 1029542678 /nfs/dbraw/zinc/54/26/78/1029542678.db2.gz WFLYNABEMCCEAC-QWFCFKBJSA-N 1 2 339.483 3.990 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)[nH]1 ZINC000272715246 1029576695 /nfs/dbraw/zinc/57/66/95/1029576695.db2.gz CRNRQNMOVIQHRQ-UHFFFAOYSA-N 1 2 339.222 3.887 20 0 EHADLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cn1 ZINC000533304340 1029606988 /nfs/dbraw/zinc/60/69/88/1029606988.db2.gz MTBOMISIMPVMOA-CQSZACIVSA-N 1 2 348.878 3.632 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cn1 ZINC000533304340 1029606996 /nfs/dbraw/zinc/60/69/96/1029606996.db2.gz MTBOMISIMPVMOA-CQSZACIVSA-N 1 2 348.878 3.632 20 0 EHADLO Brc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000246054799 1029623084 /nfs/dbraw/zinc/62/30/84/1029623084.db2.gz AENKLKKLHQDNLX-ZIAGYGMSSA-N 1 2 327.291 3.704 20 0 EHADLO Brc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000246054799 1029623092 /nfs/dbraw/zinc/62/30/92/1029623092.db2.gz AENKLKKLHQDNLX-ZIAGYGMSSA-N 1 2 327.291 3.704 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nc2sc3ccccc3n12 ZINC000728562040 1029630957 /nfs/dbraw/zinc/63/09/57/1029630957.db2.gz DBYUQOXBADWNLC-GFCCVEGCSA-N 1 2 330.482 3.912 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nc2sc3ccccc3n12 ZINC000728562040 1029630962 /nfs/dbraw/zinc/63/09/62/1029630962.db2.gz DBYUQOXBADWNLC-GFCCVEGCSA-N 1 2 330.482 3.912 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000668672841 1029655049 /nfs/dbraw/zinc/65/50/49/1029655049.db2.gz YUDRCORNHMQVDS-LJQANCHMSA-N 1 2 341.455 3.634 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000668672841 1029655052 /nfs/dbraw/zinc/65/50/52/1029655052.db2.gz YUDRCORNHMQVDS-LJQANCHMSA-N 1 2 341.455 3.634 20 0 EHADLO Cc1cnn(Cc2ccccn2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087818 1029665858 /nfs/dbraw/zinc/66/58/58/1029665858.db2.gz BNOOKPDNPINPFF-UHFFFAOYSA-N 1 2 330.395 3.769 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1SCCc2sccc21 ZINC000079602758 1029677430 /nfs/dbraw/zinc/67/74/30/1029677430.db2.gz QUJKTCYMLQXHSE-INIZCTEOSA-N 1 2 341.461 3.903 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000152220094 1029694640 /nfs/dbraw/zinc/69/46/40/1029694640.db2.gz AIQIIJMUENDKCU-AWEZNQCLSA-N 1 2 329.469 3.553 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000079851962 1029730729 /nfs/dbraw/zinc/73/07/29/1029730729.db2.gz KSNYGGKBPJGPNW-ZHRRBRCNSA-N 1 2 349.478 3.550 20 0 EHADLO C[N@H+](Cc1nc(C(F)F)no1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000583377679 1029742227 /nfs/dbraw/zinc/74/22/27/1029742227.db2.gz YXEVUWJDDZMZJZ-QWHCGFSZSA-N 1 2 337.370 3.685 20 0 EHADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000583377679 1029742233 /nfs/dbraw/zinc/74/22/33/1029742233.db2.gz YXEVUWJDDZMZJZ-QWHCGFSZSA-N 1 2 337.370 3.685 20 0 EHADLO C[C@]1(c2ccccc2)CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000446715772 1029769337 /nfs/dbraw/zinc/76/93/37/1029769337.db2.gz VBAWEXVKUHRXND-NRFANRHFSA-N 1 2 333.435 3.824 20 0 EHADLO C[C@]1(c2ccccc2)CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000446715772 1029769343 /nfs/dbraw/zinc/76/93/43/1029769343.db2.gz VBAWEXVKUHRXND-NRFANRHFSA-N 1 2 333.435 3.824 20 0 EHADLO COc1ccc2cccc(-c3noc([C@@H]4CC[NH2+]CC4(F)F)n3)c2c1 ZINC001211579376 1029775375 /nfs/dbraw/zinc/77/53/75/1029775375.db2.gz CAYWNYPMTCVSPZ-HNNXBMFYSA-N 1 2 345.349 3.611 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428628702 1029775735 /nfs/dbraw/zinc/77/57/35/1029775735.db2.gz YSHYLDOVPVEBSL-DLBZAZTESA-N 1 2 332.492 3.576 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000446839881 1029822424 /nfs/dbraw/zinc/82/24/24/1029822424.db2.gz CICHDAMANLIVTM-AWEZNQCLSA-N 1 2 338.386 3.962 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)nc(N)c2c1C ZINC000093191643 1029826551 /nfs/dbraw/zinc/82/65/51/1029826551.db2.gz GDTHBKBPQPEPBP-ZDUSSCGKSA-N 1 2 327.457 3.556 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)nc(N)c2c1C ZINC000093191643 1029826555 /nfs/dbraw/zinc/82/65/55/1029826555.db2.gz GDTHBKBPQPEPBP-ZDUSSCGKSA-N 1 2 327.457 3.556 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000446911014 1029850886 /nfs/dbraw/zinc/85/08/86/1029850886.db2.gz FNZGFWXIPKKKGD-UHFFFAOYSA-N 1 2 346.500 3.645 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127238166 1029853217 /nfs/dbraw/zinc/85/32/17/1029853217.db2.gz BXZDJOPPPXYYSN-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000525475220 1029861159 /nfs/dbraw/zinc/86/11/59/1029861159.db2.gz ZDQKGVNFVHIYSM-OAHLLOKOSA-N 1 2 342.748 3.999 20 0 EHADLO Brc1ccc2[nH]c(NCc3cccc4cc[nH]c43)[nH+]c2c1 ZINC000446947161 1029862476 /nfs/dbraw/zinc/86/24/76/1029862476.db2.gz DNQXDLSRBPGHFE-UHFFFAOYSA-N 1 2 341.212 3.841 20 0 EHADLO Brc1ccc2[nH+]c(NCc3cccc4cc[nH]c43)[nH]c2c1 ZINC000446947161 1029862484 /nfs/dbraw/zinc/86/24/84/1029862484.db2.gz DNQXDLSRBPGHFE-UHFFFAOYSA-N 1 2 341.212 3.841 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(C(F)F)nc2ccccc21 ZINC000428662759 1029868195 /nfs/dbraw/zinc/86/81/95/1029868195.db2.gz HCRBBPBPUAFMSW-UHFFFAOYSA-N 1 2 343.381 3.737 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000475648808 1029872243 /nfs/dbraw/zinc/87/22/43/1029872243.db2.gz VPKGTLGCMMZINE-XJKSGUPXSA-N 1 2 349.425 3.954 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)Cc3ccccc31)C2 ZINC000475648734 1029882673 /nfs/dbraw/zinc/88/26/73/1029882673.db2.gz UTGRYIOTXVOQOB-HOCLYGCPSA-N 1 2 337.467 3.863 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)Cc3ccccc31)CC2 ZINC000475648734 1029882681 /nfs/dbraw/zinc/88/26/81/1029882681.db2.gz UTGRYIOTXVOQOB-HOCLYGCPSA-N 1 2 337.467 3.863 20 0 EHADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442490 1029888464 /nfs/dbraw/zinc/88/84/64/1029888464.db2.gz RYPDBKOIGVTKPT-UHFFFAOYSA-N 1 2 348.381 3.982 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC34CCCC4)n2)C1 ZINC000428686017 1029897784 /nfs/dbraw/zinc/89/77/84/1029897784.db2.gz APVXQPAZCJFUSR-ZFWWWQNUSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC34CCCC4)n2)C1 ZINC000428686017 1029897801 /nfs/dbraw/zinc/89/78/01/1029897801.db2.gz APVXQPAZCJFUSR-ZFWWWQNUSA-N 1 2 348.516 3.829 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871177 1029949819 /nfs/dbraw/zinc/94/98/19/1029949819.db2.gz XCVLGIJXNJYUTG-KBPBESRZSA-N 1 2 337.464 3.698 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871177 1029949832 /nfs/dbraw/zinc/94/98/32/1029949832.db2.gz XCVLGIJXNJYUTG-KBPBESRZSA-N 1 2 337.464 3.698 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(C)cc1Cl ZINC000475650449 1030031053 /nfs/dbraw/zinc/03/10/53/1030031053.db2.gz ZJTXOPBXZWNPRZ-UHFFFAOYSA-N 1 2 331.847 3.974 20 0 EHADLO CC(C)[C@@H]1[N@H+](Cc2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC000459793178 1030061055 /nfs/dbraw/zinc/06/10/55/1030061055.db2.gz SZPRVBFMBPSELY-SFHVURJKSA-N 1 2 335.513 3.881 20 0 EHADLO CC(C)[C@@H]1[N@@H+](Cc2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC000459793178 1030061073 /nfs/dbraw/zinc/06/10/73/1030061073.db2.gz SZPRVBFMBPSELY-SFHVURJKSA-N 1 2 335.513 3.881 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cnccc2C)nnn1-c1cccc(Cl)c1 ZINC000453321545 1030099787 /nfs/dbraw/zinc/09/97/87/1030099787.db2.gz HLBTXHCIFRIFEA-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000600644708 1030102560 /nfs/dbraw/zinc/10/25/60/1030102560.db2.gz ICTVOVOBRHCEOU-GOSISDBHSA-N 1 2 328.437 3.709 20 0 EHADLO CC(C)c1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000556051559 1030109101 /nfs/dbraw/zinc/10/91/01/1030109101.db2.gz FJOSJNVDNNBNGL-IBGZPJMESA-N 1 2 338.430 3.989 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)o1 ZINC000453360313 1030157478 /nfs/dbraw/zinc/15/74/78/1030157478.db2.gz FDWBVAUHUCMPNO-LJQANCHMSA-N 1 2 325.387 3.959 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)co2)cc1 ZINC000121139272 1030170385 /nfs/dbraw/zinc/17/03/85/1030170385.db2.gz PATYYNDPBCTSES-UHFFFAOYSA-N 1 2 343.471 3.681 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121099946 1030181201 /nfs/dbraw/zinc/18/12/01/1030181201.db2.gz JKBAJYMFUQPEOF-JSGCOSHPSA-N 1 2 325.522 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121099946 1030181215 /nfs/dbraw/zinc/18/12/15/1030181215.db2.gz JKBAJYMFUQPEOF-JSGCOSHPSA-N 1 2 325.522 3.728 20 0 EHADLO CCC(C)(C)OCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453403545 1030211323 /nfs/dbraw/zinc/21/13/23/1030211323.db2.gz GTZLJJUKUAZUJP-INIZCTEOSA-N 1 2 335.879 3.958 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000215712793 1030214902 /nfs/dbraw/zinc/21/49/02/1030214902.db2.gz DUYQYEDOWYCQBB-XFXZXTDPSA-N 1 2 348.490 3.822 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1Br ZINC000536080361 1030216192 /nfs/dbraw/zinc/21/61/92/1030216192.db2.gz SPJLAYWDFWMWPU-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO COc1cccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c1F ZINC000657773132 1030222266 /nfs/dbraw/zinc/22/22/66/1030222266.db2.gz LLPIJAYPVWMZSR-CYBMUJFWSA-N 1 2 344.213 3.964 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128654069 1030235788 /nfs/dbraw/zinc/23/57/88/1030235788.db2.gz RAHUWJJVSRMJJT-BBRMVZONSA-N 1 2 346.406 3.536 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091702348 1030287997 /nfs/dbraw/zinc/28/79/97/1030287997.db2.gz KMGFGLGYTOXVCF-LPHOPBHVSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091702348 1030288006 /nfs/dbraw/zinc/28/80/06/1030288006.db2.gz KMGFGLGYTOXVCF-LPHOPBHVSA-N 1 2 325.456 3.732 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)c(C)c[nH+]1 ZINC000583624365 1030288834 /nfs/dbraw/zinc/28/88/34/1030288834.db2.gz OECMKKKJEUPCKY-FQEVSTJZSA-N 1 2 341.430 3.889 20 0 EHADLO CCc1cccc2c1N(C(=O)[C@@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000525998937 1030294686 /nfs/dbraw/zinc/29/46/86/1030294686.db2.gz HMOMAASJSOZPER-MRXNPFEDSA-N 1 2 337.467 3.790 20 0 EHADLO CCc1cccc2c1N(C(=O)[C@@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000525998937 1030294701 /nfs/dbraw/zinc/29/47/01/1030294701.db2.gz HMOMAASJSOZPER-MRXNPFEDSA-N 1 2 337.467 3.790 20 0 EHADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000453452893 1030325582 /nfs/dbraw/zinc/32/55/82/1030325582.db2.gz SKTPLNTVYZVAID-OLZOCXBDSA-N 1 2 332.473 3.648 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000157190694 1030339016 /nfs/dbraw/zinc/33/90/16/1030339016.db2.gz JZTMEASAMRSVLZ-KBXCAEBGSA-N 1 2 336.439 3.705 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cs1 ZINC000429721383 1030377464 /nfs/dbraw/zinc/37/74/64/1030377464.db2.gz RBPLMUVHUHHZSC-BBRMVZONSA-N 1 2 334.485 3.700 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000532094762 1030388772 /nfs/dbraw/zinc/38/87/72/1030388772.db2.gz LYEOVTUFRWRYOP-APWZRJJASA-N 1 2 340.471 3.799 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)n1cc[nH+]c1 ZINC000635123456 1030399290 /nfs/dbraw/zinc/39/92/90/1030399290.db2.gz WWOFIPWMCSAUHJ-CVEARBPZSA-N 1 2 329.469 3.824 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1 ZINC000583664342 1030405001 /nfs/dbraw/zinc/40/50/01/1030405001.db2.gz UCEQVOCGQOUVDO-UHFFFAOYSA-N 1 2 344.365 3.532 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000482440727 1030419587 /nfs/dbraw/zinc/41/95/87/1030419587.db2.gz REGDXSMTMPXGTF-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000482440727 1030419596 /nfs/dbraw/zinc/41/95/96/1030419596.db2.gz REGDXSMTMPXGTF-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO C[C@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCCO1 ZINC000583678113 1030436627 /nfs/dbraw/zinc/43/66/27/1030436627.db2.gz UWKLDUKNYLLRRD-HXUWFJFHSA-N 1 2 339.439 3.784 20 0 EHADLO O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000583695304 1030489482 /nfs/dbraw/zinc/48/94/82/1030489482.db2.gz FCYBUSPOYNZDLC-CABCVRRESA-N 1 2 337.345 3.723 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)cc1 ZINC000343364044 1030508173 /nfs/dbraw/zinc/50/81/73/1030508173.db2.gz CQUIOPSGMGGZKW-AWEZNQCLSA-N 1 2 338.386 3.598 20 0 EHADLO CCc1ccc2occ(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2c1 ZINC000343363803 1030509660 /nfs/dbraw/zinc/50/96/60/1030509660.db2.gz XFPAZTYKSJMDPZ-UHFFFAOYSA-N 1 2 346.390 3.887 20 0 EHADLO CCOc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)cc(Br)c1OC ZINC000526990470 1030550347 /nfs/dbraw/zinc/55/03/47/1030550347.db2.gz BICNZIUNKMHIEK-PHIMTYICSA-N 1 2 328.250 3.839 20 0 EHADLO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc(Br)c1OC ZINC000526990470 1030550359 /nfs/dbraw/zinc/55/03/59/1030550359.db2.gz BICNZIUNKMHIEK-PHIMTYICSA-N 1 2 328.250 3.839 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000470009615 1030574578 /nfs/dbraw/zinc/57/45/78/1030574578.db2.gz QHGROOQNUPHSEU-UHFFFAOYSA-N 1 2 339.483 3.854 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236632 1030577106 /nfs/dbraw/zinc/57/71/06/1030577106.db2.gz LARAAINKRAEBIN-QFBILLFUSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236632 1030577114 /nfs/dbraw/zinc/57/71/14/1030577114.db2.gz LARAAINKRAEBIN-QFBILLFUSA-N 1 2 325.456 3.732 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccs1 ZINC000129906992 1030585596 /nfs/dbraw/zinc/58/55/96/1030585596.db2.gz VEUSSMFWLAACSV-UONOGXRCSA-N 1 2 334.510 3.819 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000332982050 1030597619 /nfs/dbraw/zinc/59/76/19/1030597619.db2.gz OYVADXNHJBGNRK-ZWKOTPCHSA-N 1 2 344.503 3.732 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000093440519 1030612588 /nfs/dbraw/zinc/61/25/88/1030612588.db2.gz MOFPPPIUMRTFAH-UHFFFAOYSA-N 1 2 349.475 3.736 20 0 EHADLO O=c1[nH]c(C[NH2+][C@H](c2cccnc2)C2CC2)nc2c3ccccc3oc21 ZINC000527076593 1030632466 /nfs/dbraw/zinc/63/24/66/1030632466.db2.gz HEHBVEOMOKQULY-KRWDZBQOSA-N 1 2 346.390 3.718 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)NCCNc2cccc[nH+]2)c1 ZINC000447964083 1030635669 /nfs/dbraw/zinc/63/56/69/1030635669.db2.gz LOYDOBQANPLIFR-INIZCTEOSA-N 1 2 341.455 3.592 20 0 EHADLO CCn1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)cn1 ZINC000093763867 1030669682 /nfs/dbraw/zinc/66/96/82/1030669682.db2.gz MSVOEDPLGJFLGI-UHFFFAOYSA-N 1 2 340.290 3.892 20 0 EHADLO CCn1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)cn1 ZINC000093763867 1030669692 /nfs/dbraw/zinc/66/96/92/1030669692.db2.gz MSVOEDPLGJFLGI-UHFFFAOYSA-N 1 2 340.290 3.892 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C ZINC000093768770 1030672431 /nfs/dbraw/zinc/67/24/31/1030672431.db2.gz ZTCCLILPPPGJOK-ACJLOTCBSA-N 1 2 333.501 3.933 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C ZINC000093768770 1030672437 /nfs/dbraw/zinc/67/24/37/1030672437.db2.gz ZTCCLILPPPGJOK-ACJLOTCBSA-N 1 2 333.501 3.933 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)c[nH+]1 ZINC000897372701 1030679689 /nfs/dbraw/zinc/67/96/89/1030679689.db2.gz BBBXFAAMNPAVBL-KRWDZBQOSA-N 1 2 325.456 3.560 20 0 EHADLO COc1ccc2oc(C[NH+]3CCN([C@@H](C)C(F)(F)F)CC3)cc2c1 ZINC000093883863 1030690421 /nfs/dbraw/zinc/69/04/21/1030690421.db2.gz ZIQORRZJQLYVKJ-LBPRGKRZSA-N 1 2 342.361 3.510 20 0 EHADLO CCC[C@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000343401455 1030705194 /nfs/dbraw/zinc/70/51/94/1030705194.db2.gz KMNUINAJCCFLFG-NRFANRHFSA-N 1 2 340.515 3.568 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)cc1Cl ZINC000527221527 1030716875 /nfs/dbraw/zinc/71/68/75/1030716875.db2.gz UDLGWPJWNAVHAK-UHFFFAOYSA-N 1 2 348.899 3.976 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1cn2ccccc2n1 ZINC000360020099 1030718191 /nfs/dbraw/zinc/71/81/91/1030718191.db2.gz KQTLQCVTDCWNHB-ZDUSSCGKSA-N 1 2 334.206 3.864 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)c1nccn1C ZINC000657794837 1030770162 /nfs/dbraw/zinc/77/01/62/1030770162.db2.gz XKGIGXVAGAFYEC-LSDHHAIUSA-N 1 2 332.467 3.892 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000115161763 1030825832 /nfs/dbraw/zinc/82/58/32/1030825832.db2.gz MJOGTBATKGSFQY-UHFFFAOYSA-N 1 2 342.201 3.760 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCSC[C@@H]1c1ccccc1 ZINC000172150618 1030839593 /nfs/dbraw/zinc/83/95/93/1030839593.db2.gz BGPCIBKGXWJSEW-LJQANCHMSA-N 1 2 349.459 3.803 20 0 EHADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000668173642 1030849305 /nfs/dbraw/zinc/84/93/05/1030849305.db2.gz NFDSXVYTCVVHDA-RTBURBONSA-N 1 2 340.471 3.681 20 0 EHADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000668173642 1030849328 /nfs/dbraw/zinc/84/93/28/1030849328.db2.gz NFDSXVYTCVVHDA-RTBURBONSA-N 1 2 340.471 3.681 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000171982897 1030855445 /nfs/dbraw/zinc/85/54/45/1030855445.db2.gz WQMWXTLVUAHBKI-LBPRGKRZSA-N 1 2 347.344 3.532 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)CC(C)(C)C ZINC000476755626 1030877540 /nfs/dbraw/zinc/87/75/40/1030877540.db2.gz JNLOQVLLNUBDJO-INIZCTEOSA-N 1 2 332.488 3.838 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000115610289 1030893407 /nfs/dbraw/zinc/89/34/07/1030893407.db2.gz FHUTXQLUUHBEIG-UHFFFAOYSA-N 1 2 340.333 3.557 20 0 EHADLO Cc1nnc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC000568180036 1030950122 /nfs/dbraw/zinc/95/01/22/1030950122.db2.gz VIBIOWHVLBIDSA-LLVKDONJSA-N 1 2 342.237 3.525 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC000527524865 1030968895 /nfs/dbraw/zinc/96/88/95/1030968895.db2.gz ADUWSTJDSGHHRO-LJQANCHMSA-N 1 2 332.394 3.674 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC000527524865 1030968907 /nfs/dbraw/zinc/96/89/07/1030968907.db2.gz ADUWSTJDSGHHRO-LJQANCHMSA-N 1 2 332.394 3.674 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483107787 1030972116 /nfs/dbraw/zinc/97/21/16/1030972116.db2.gz SDBWMTXXVWWBER-CRAIPNDOSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483107787 1030972131 /nfs/dbraw/zinc/97/21/31/1030972131.db2.gz SDBWMTXXVWWBER-CRAIPNDOSA-N 1 2 331.362 3.668 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000483113305 1030974205 /nfs/dbraw/zinc/97/42/05/1030974205.db2.gz AYHHHBSMFVNVRY-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000483113305 1030974225 /nfs/dbraw/zinc/97/42/25/1030974225.db2.gz AYHHHBSMFVNVRY-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372495 1031004502 /nfs/dbraw/zinc/00/45/02/1031004502.db2.gz OXBUIXSWWUSYFV-GYSYKLTISA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372495 1031004514 /nfs/dbraw/zinc/00/45/14/1031004514.db2.gz OXBUIXSWWUSYFV-GYSYKLTISA-N 1 2 335.391 3.535 20 0 EHADLO CCCNc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000458710086 1031010423 /nfs/dbraw/zinc/01/04/23/1031010423.db2.gz DPPXXNZZVOXYFQ-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C[C@@]2(CCOC2)O1 ZINC000483185752 1031032105 /nfs/dbraw/zinc/03/21/05/1031032105.db2.gz SDXVCDGNOLLQPO-SSKCKEOISA-N 1 2 342.266 3.861 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C[C@@]2(CCOC2)O1 ZINC000483185752 1031032124 /nfs/dbraw/zinc/03/21/24/1031032124.db2.gz SDXVCDGNOLLQPO-SSKCKEOISA-N 1 2 342.266 3.861 20 0 EHADLO Cc1ncc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)n1-c1ccccc1 ZINC000527618192 1031040947 /nfs/dbraw/zinc/04/09/47/1031040947.db2.gz IBERWKUGSLVOJK-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO Cc1ncc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)n1-c1ccccc1 ZINC000527618192 1031040964 /nfs/dbraw/zinc/04/09/64/1031040964.db2.gz IBERWKUGSLVOJK-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO O=C(Nc1cncc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000551171969 1031074942 /nfs/dbraw/zinc/07/49/42/1031074942.db2.gz DVJNECAUZUVHPA-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](n2cncn2)C1 ZINC000551164591 1031083998 /nfs/dbraw/zinc/08/39/98/1031083998.db2.gz NSIJIPGJMUUCAM-NXHRZFHOSA-N 1 2 340.475 3.505 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2nnc(OCC)s2)cc1 ZINC000483288744 1031089004 /nfs/dbraw/zinc/08/90/04/1031089004.db2.gz IYNQHXFOJCIEGA-UHFFFAOYSA-N 1 2 335.473 3.751 20 0 EHADLO Cc1csc([C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)n1 ZINC000173411777 1031088758 /nfs/dbraw/zinc/08/87/58/1031088758.db2.gz NGLUGATZKRCOKI-MRXNPFEDSA-N 1 2 338.436 3.518 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3c(F)cccc3Br)ccn12 ZINC001126641570 1031127307 /nfs/dbraw/zinc/12/73/07/1031127307.db2.gz FVKJWWCIXGHQHC-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO COc1cc(C)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000278499512 1031127787 /nfs/dbraw/zinc/12/77/87/1031127787.db2.gz KMKNFLZVKJQGMY-SUMWQHHRSA-N 1 2 342.443 3.624 20 0 EHADLO CC(C)(C)c1nc(CNC[C@@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000657807794 1031140603 /nfs/dbraw/zinc/14/06/03/1031140603.db2.gz RLUQIKIHFIWXCR-KRWDZBQOSA-N 1 2 329.513 3.805 20 0 EHADLO CC(C)(C)c1nc(CNC[C@@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000657807794 1031140607 /nfs/dbraw/zinc/14/06/07/1031140607.db2.gz RLUQIKIHFIWXCR-KRWDZBQOSA-N 1 2 329.513 3.805 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2c(C(F)(F)F)cnn2C)cc1Cl ZINC000668240476 1031143481 /nfs/dbraw/zinc/14/34/81/1031143481.db2.gz JOXWJYQZSUSVLO-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)cc1Cl ZINC000668240476 1031143489 /nfs/dbraw/zinc/14/34/89/1031143489.db2.gz JOXWJYQZSUSVLO-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000476990780 1031151883 /nfs/dbraw/zinc/15/18/83/1031151883.db2.gz MVLXEPJRPSTDET-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000476990780 1031151892 /nfs/dbraw/zinc/15/18/92/1031151892.db2.gz MVLXEPJRPSTDET-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC4CCC3CC4)cn2c1 ZINC000483423168 1031157455 /nfs/dbraw/zinc/15/74/55/1031157455.db2.gz XUWAWSVKXKSWOM-DQPZFDDXSA-N 1 2 343.496 3.571 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnc4cccc(C)n34)CCO2)cc1 ZINC000483427453 1031159912 /nfs/dbraw/zinc/15/99/12/1031159912.db2.gz KLTDGOSVSBLVLD-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnc4cccc(C)n34)CCO2)cc1 ZINC000483427453 1031159921 /nfs/dbraw/zinc/15/99/21/1031159921.db2.gz KLTDGOSVSBLVLD-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OC)c3)CCO2)cc1 ZINC000483434395 1031170107 /nfs/dbraw/zinc/17/01/07/1031170107.db2.gz VWMDMYAYGPBJMH-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3)CCO2)cc1 ZINC000483434395 1031170119 /nfs/dbraw/zinc/17/01/19/1031170119.db2.gz VWMDMYAYGPBJMH-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C12CCC2 ZINC000666975793 1031175743 /nfs/dbraw/zinc/17/57/43/1031175743.db2.gz YOZZGVBINOJATH-LSDHHAIUSA-N 1 2 342.443 3.582 20 0 EHADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc2c(c1)CCCO2 ZINC000666974062 1031185487 /nfs/dbraw/zinc/18/54/87/1031185487.db2.gz IJCILVNODLOKJU-ZDUSSCGKSA-N 1 2 336.395 3.542 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ncc(-c2ccccc2)o1 ZINC000174022183 1031193766 /nfs/dbraw/zinc/19/37/66/1031193766.db2.gz PLQGAJXJHOMBAX-CYBMUJFWSA-N 1 2 339.370 3.770 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCCOc3ccccc3C)CCO2)c1 ZINC000483518897 1031206203 /nfs/dbraw/zinc/20/62/03/1031206203.db2.gz XZGSUKKXWMFQMX-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCCOc3ccccc3C)CCO2)c1 ZINC000483518897 1031206217 /nfs/dbraw/zinc/20/62/17/1031206217.db2.gz XZGSUKKXWMFQMX-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nn(C)cc2Br)C2CC2)cc1 ZINC000393339560 1031239301 /nfs/dbraw/zinc/23/93/01/1031239301.db2.gz UFHIPIPFKDRHDB-MRXNPFEDSA-N 1 2 334.261 3.732 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000483646839 1031257154 /nfs/dbraw/zinc/25/71/54/1031257154.db2.gz AWAFQOYQYOGLAO-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000483646839 1031257168 /nfs/dbraw/zinc/25/71/68/1031257168.db2.gz AWAFQOYQYOGLAO-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000175304263 1031292122 /nfs/dbraw/zinc/29/21/22/1031292122.db2.gz MXPMEQSTBXORJM-JKSUJKDBSA-N 1 2 344.503 3.659 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000483710906 1031299862 /nfs/dbraw/zinc/29/98/62/1031299862.db2.gz NTARPUNAXDWAJX-DOTOQJQBSA-N 1 2 344.503 3.564 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000483710910 1031300093 /nfs/dbraw/zinc/30/00/93/1031300093.db2.gz NTARPUNAXDWAJX-RDJZCZTQSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1ccc(CC2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cc1C ZINC000584003399 1031377567 /nfs/dbraw/zinc/37/75/67/1031377567.db2.gz DDIRRBBNQYMXIN-QGZVFWFLSA-N 1 2 339.483 3.686 20 0 EHADLO Cc1ccc(CC2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cc1C ZINC000584003399 1031377583 /nfs/dbraw/zinc/37/75/83/1031377583.db2.gz DDIRRBBNQYMXIN-QGZVFWFLSA-N 1 2 339.483 3.686 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1F ZINC000668283143 1031384838 /nfs/dbraw/zinc/38/48/38/1031384838.db2.gz JWSYTDBEGNNQFW-MEBBXXQBSA-N 1 2 343.320 3.778 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894571 1031389826 /nfs/dbraw/zinc/38/98/26/1031389826.db2.gz UDDJFOIKHNSCFR-GUYCJALGSA-N 1 2 327.453 3.533 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1Cl ZINC000176027802 1031405825 /nfs/dbraw/zinc/40/58/25/1031405825.db2.gz CLVBJVIPMJMVTI-GFCCVEGCSA-N 1 2 326.227 3.760 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1Cl ZINC000176027802 1031405834 /nfs/dbraw/zinc/40/58/34/1031405834.db2.gz CLVBJVIPMJMVTI-GFCCVEGCSA-N 1 2 326.227 3.760 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1ccn(C)n1 ZINC000527908691 1031438680 /nfs/dbraw/zinc/43/86/80/1031438680.db2.gz MISUCMBHLZJBHG-IUCAKERBSA-N 1 2 344.203 3.873 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H]1C ZINC000448726388 1031514836 /nfs/dbraw/zinc/51/48/36/1031514836.db2.gz QTCANOCQIKGXMJ-NUJGCVRESA-N 1 2 329.488 3.760 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3nc4ccccc4c(C)c3Cl)C2)n[nH]1 ZINC000584039545 1031549800 /nfs/dbraw/zinc/54/98/00/1031549800.db2.gz XQIZGJNVYFODKI-CYBMUJFWSA-N 1 2 341.846 3.613 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3nc4ccccc4c(C)c3Cl)C2)n[nH]1 ZINC000584039545 1031549811 /nfs/dbraw/zinc/54/98/11/1031549811.db2.gz XQIZGJNVYFODKI-CYBMUJFWSA-N 1 2 341.846 3.613 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)c2ccsc2)c2nccn2C)cc1 ZINC000177811830 1031572133 /nfs/dbraw/zinc/57/21/33/1031572133.db2.gz RTBPRGFIROPZKV-GUYCJALGSA-N 1 2 327.453 3.930 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCC1 ZINC000484468918 1031587061 /nfs/dbraw/zinc/58/70/61/1031587061.db2.gz BLTCEPBJLFZHFJ-OAHLLOKOSA-N 1 2 331.456 3.730 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCC1 ZINC000484468918 1031587073 /nfs/dbraw/zinc/58/70/73/1031587073.db2.gz BLTCEPBJLFZHFJ-OAHLLOKOSA-N 1 2 331.456 3.730 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C1CC1 ZINC000528036287 1031618360 /nfs/dbraw/zinc/61/83/60/1031618360.db2.gz QWEJDJKORAPIPF-GWMHBNKLSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C1CC1 ZINC000528036287 1031618368 /nfs/dbraw/zinc/61/83/68/1031618368.db2.gz QWEJDJKORAPIPF-GWMHBNKLSA-N 1 2 342.483 3.526 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1OC(F)F ZINC000178207322 1031644273 /nfs/dbraw/zinc/64/42/73/1031644273.db2.gz DKLKECNKNNGVIM-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccccc21 ZINC000278618164 1031672874 /nfs/dbraw/zinc/67/28/74/1031672874.db2.gz JVMUZAJZEKWWDP-LSDHHAIUSA-N 1 2 336.439 3.791 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2cccc(-n3ccnc3)c2)no1)n1cc[nH+]c1 ZINC000923887754 1031679382 /nfs/dbraw/zinc/67/93/82/1031679382.db2.gz XZIYZLUXAQQZPQ-KRWDZBQOSA-N 1 2 348.410 3.754 20 0 EHADLO COc1cccc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923820794 1031681096 /nfs/dbraw/zinc/68/10/96/1031681096.db2.gz KKBUAMVIFRRROX-INIZCTEOSA-N 1 2 326.400 3.501 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178383124 1031689507 /nfs/dbraw/zinc/68/95/07/1031689507.db2.gz NEQISUFTZZDBGD-UHFFFAOYSA-N 1 2 339.395 3.927 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cccc(OCCOC)c1 ZINC000158885124 1031711032 /nfs/dbraw/zinc/71/10/32/1031711032.db2.gz ULZMVVWSPWENCZ-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2cscn2)cc1 ZINC000178709969 1031717017 /nfs/dbraw/zinc/71/70/17/1031717017.db2.gz XATBBZNKLDFBER-UHFFFAOYSA-N 1 2 327.428 3.922 20 0 EHADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2cscn2)cc1 ZINC000178709969 1031717026 /nfs/dbraw/zinc/71/70/26/1031717026.db2.gz XATBBZNKLDFBER-UHFFFAOYSA-N 1 2 327.428 3.922 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000178824039 1031736080 /nfs/dbraw/zinc/73/60/80/1031736080.db2.gz JFMDYRAWUXWHAS-ICSRJNTNSA-N 1 2 339.483 3.912 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117569285 1031753738 /nfs/dbraw/zinc/75/37/38/1031753738.db2.gz LUAOORGVURWMRJ-UHFFFAOYSA-N 1 2 345.406 3.884 20 0 EHADLO CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666100363 1031755482 /nfs/dbraw/zinc/75/54/82/1031755482.db2.gz KRUHIRMVMCNWKM-RTBURBONSA-N 1 2 333.435 3.726 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000343657325 1031817153 /nfs/dbraw/zinc/81/71/53/1031817153.db2.gz YJYLKCOREQJKKV-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000343657325 1031817161 /nfs/dbraw/zinc/81/71/61/1031817161.db2.gz YJYLKCOREQJKKV-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000537711145 1031847136 /nfs/dbraw/zinc/84/71/36/1031847136.db2.gz UJLVHMODRLMJJQ-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000537711145 1031847152 /nfs/dbraw/zinc/84/71/52/1031847152.db2.gz UJLVHMODRLMJJQ-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO CC1(C)Oc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2O1 ZINC000117756715 1031847725 /nfs/dbraw/zinc/84/77/25/1031847725.db2.gz RHRKPWFASZVXGD-UHFFFAOYSA-N 1 2 335.363 3.632 20 0 EHADLO Cc1ccc(OCCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117758131 1031850611 /nfs/dbraw/zinc/85/06/11/1031850611.db2.gz UTUQHKAPHBATHT-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000584181033 1031871079 /nfs/dbraw/zinc/87/10/79/1031871079.db2.gz MBUUKPRXWYTURY-HNNXBMFYSA-N 1 2 325.437 3.854 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180281242 1031872857 /nfs/dbraw/zinc/87/28/57/1031872857.db2.gz GXPLBRBGASGBFP-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180281242 1031872879 /nfs/dbraw/zinc/87/28/79/1031872879.db2.gz GXPLBRBGASGBFP-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000180286025 1031874155 /nfs/dbraw/zinc/87/41/55/1031874155.db2.gz XDASHMXARHHDLN-NRFANRHFSA-N 1 2 345.446 3.711 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)[C@H]2OCCc3sccc32)n1 ZINC000904262272 1031890356 /nfs/dbraw/zinc/89/03/56/1031890356.db2.gz BXYAVKCYWICJON-RFAUZJTJSA-N 1 2 342.424 3.501 20 0 EHADLO COc1cccc([C@@H](C)c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000685274439 1031899810 /nfs/dbraw/zinc/89/98/10/1031899810.db2.gz MCWDWHBEEMQRBJ-RDTXWAMCSA-N 1 2 337.423 3.881 20 0 EHADLO Cc1csc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000448926401 1031902151 /nfs/dbraw/zinc/90/21/51/1031902151.db2.gz DGQTVKDXGYZWHS-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+](Cc2cccnc2)C2CC2)C2CC2)CC1 ZINC000180724602 1031904772 /nfs/dbraw/zinc/90/47/72/1031904772.db2.gz YVIJIGBLCJZDDI-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+](Cc2cccnc2)C2CC2)C2CC2)CC1 ZINC000180724602 1031904786 /nfs/dbraw/zinc/90/47/86/1031904786.db2.gz YVIJIGBLCJZDDI-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C(C)(C)COCc2ccccc2)n1 ZINC000904262009 1031907926 /nfs/dbraw/zinc/90/79/26/1031907926.db2.gz UXASHKZLKFGXMP-UHFFFAOYSA-N 1 2 338.411 3.517 20 0 EHADLO CCSc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000343680043 1031918589 /nfs/dbraw/zinc/91/85/89/1031918589.db2.gz RJWDBOMFDSJVGE-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159180343 1031935634 /nfs/dbraw/zinc/93/56/34/1031935634.db2.gz SQQAWLQMBHOTRE-CABCVRRESA-N 1 2 330.432 3.518 20 0 EHADLO Cn1c(C[NH+]2CCC(Cc3cccc(F)c3)CC2)nnc1C1CCC1 ZINC000181107474 1031949162 /nfs/dbraw/zinc/94/91/62/1031949162.db2.gz VPRPLQRHPUOUGD-UHFFFAOYSA-N 1 2 342.462 3.676 20 0 EHADLO Cc1ccc(-c2noc(Cc3cn4cc(F)ccc4[nH+]3)n2)cc1F ZINC000904335423 1031955935 /nfs/dbraw/zinc/95/59/35/1031955935.db2.gz TTZRIXIWHYZUCM-UHFFFAOYSA-N 1 2 326.306 3.562 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(Cl)o1 ZINC000460682344 1031958248 /nfs/dbraw/zinc/95/82/48/1031958248.db2.gz YAAWXSIWFLHPAO-UHFFFAOYSA-N 1 2 333.819 3.743 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195013787 1031958607 /nfs/dbraw/zinc/95/86/07/1031958607.db2.gz PEJLFLRBBQMNEN-LJQANCHMSA-N 1 2 329.465 3.715 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195013787 1031958625 /nfs/dbraw/zinc/95/86/25/1031958625.db2.gz PEJLFLRBBQMNEN-LJQANCHMSA-N 1 2 329.465 3.715 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000484790254 1031963385 /nfs/dbraw/zinc/96/33/85/1031963385.db2.gz LCJSYNHHETZQGG-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cc(F)ccc1F ZINC000460669069 1031967026 /nfs/dbraw/zinc/96/70/26/1031967026.db2.gz DCUVSKAFBSJDRT-UHFFFAOYSA-N 1 2 345.393 3.775 20 0 EHADLO Cc1ccnc(C(C)(C)c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)c1 ZINC000528265295 1031986102 /nfs/dbraw/zinc/98/61/02/1031986102.db2.gz IFNAABZUCBJCRK-UHFFFAOYSA-N 1 2 347.422 3.646 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000343699790 1031996538 /nfs/dbraw/zinc/99/65/38/1031996538.db2.gz SOLBFTXKZQKXDL-KRWDZBQOSA-N 1 2 349.409 3.952 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cccc(Br)c2F)s1 ZINC000449013141 1032020593 /nfs/dbraw/zinc/02/05/93/1032020593.db2.gz AYTIEGZFPWZZDK-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cccc(Br)c2F)s1 ZINC000449013141 1032020608 /nfs/dbraw/zinc/02/06/08/1032020608.db2.gz AYTIEGZFPWZZDK-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(Cl)nc3)n2)cc1 ZINC000181412882 1032023082 /nfs/dbraw/zinc/02/30/82/1032023082.db2.gz VRFUXDYNHXKSTM-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459400576 1032039381 /nfs/dbraw/zinc/03/93/81/1032039381.db2.gz MRSHMBSYXGSBCY-IEBWSBKVSA-N 1 2 342.443 3.518 20 0 EHADLO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449008949 1032049090 /nfs/dbraw/zinc/04/90/90/1032049090.db2.gz MCAOXINUXNLCTQ-UHFFFAOYSA-N 1 2 335.300 3.793 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC2(c3ccccc3)CC2)c1C ZINC000528312498 1032056968 /nfs/dbraw/zinc/05/69/68/1032056968.db2.gz UMMIEOJWDREHPB-UHFFFAOYSA-N 1 2 338.451 3.787 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000173423249 1033296394 /nfs/dbraw/zinc/29/63/94/1033296394.db2.gz CTLWTTFVHQZMAG-KRWDZBQOSA-N 1 2 333.505 3.655 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000173423249 1033296406 /nfs/dbraw/zinc/29/64/06/1033296406.db2.gz CTLWTTFVHQZMAG-KRWDZBQOSA-N 1 2 333.505 3.655 20 0 EHADLO Cc1ccc(Br)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000607829425 1033321487 /nfs/dbraw/zinc/32/14/87/1033321487.db2.gz AQMRDTMOYCNWMP-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OC)c1nnc2n1CCCCC2 ZINC000594386003 1033344952 /nfs/dbraw/zinc/34/49/52/1033344952.db2.gz ADBVPSNFKSOSLC-OAHLLOKOSA-N 1 2 348.878 3.907 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000607876521 1033346434 /nfs/dbraw/zinc/34/64/34/1033346434.db2.gz HNUTWOYRAVSMPY-QGZVFWFLSA-N 1 2 335.451 3.549 20 0 EHADLO Cc1cc(C(N)=[NH+]OCc2cc(F)cc3cccnc32)ccc1F ZINC000063457623 1033358839 /nfs/dbraw/zinc/35/88/39/1033358839.db2.gz XKPUZZLPGVOJJP-UHFFFAOYSA-N 1 2 327.334 3.659 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000358117025 1033410417 /nfs/dbraw/zinc/41/04/17/1033410417.db2.gz KMHLNQJOCQAVDM-UHFFFAOYSA-N 1 2 332.492 3.750 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccnc(Cl)c1 ZINC000063517917 1033436285 /nfs/dbraw/zinc/43/62/85/1033436285.db2.gz AHJWDKGDGMLIQL-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccnc(Cl)c1 ZINC000063517917 1033436289 /nfs/dbraw/zinc/43/62/89/1033436289.db2.gz AHJWDKGDGMLIQL-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000594613249 1033477316 /nfs/dbraw/zinc/47/73/16/1033477316.db2.gz BDPCDFKERRAQFZ-KSZLIROESA-N 1 2 330.472 3.503 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438755 1033494943 /nfs/dbraw/zinc/49/49/43/1033494943.db2.gz DOTITUGMPBBFBZ-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438755 1033494948 /nfs/dbraw/zinc/49/49/48/1033494948.db2.gz DOTITUGMPBBFBZ-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)NCCCCn3cc[nH+]c3)o2)cc1 ZINC000608134350 1033511770 /nfs/dbraw/zinc/51/17/70/1033511770.db2.gz UICNENHSKWSLII-UHFFFAOYSA-N 1 2 337.423 3.916 20 0 EHADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc(-c2ccncc2)c1 ZINC000305840710 1033534928 /nfs/dbraw/zinc/53/49/28/1033534928.db2.gz RELZWIOIIJFOMF-INIZCTEOSA-N 1 2 348.450 3.745 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000057551065 1033543995 /nfs/dbraw/zinc/54/39/95/1033543995.db2.gz DRJMKEPWCZEAQY-HNNXBMFYSA-N 1 2 330.859 3.819 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000057551065 1033544011 /nfs/dbraw/zinc/54/40/11/1033544011.db2.gz DRJMKEPWCZEAQY-HNNXBMFYSA-N 1 2 330.859 3.819 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)sc1C ZINC000608207509 1033544298 /nfs/dbraw/zinc/54/42/98/1033544298.db2.gz VXUPRWXNGYDVKC-INIZCTEOSA-N 1 2 339.464 3.812 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045007870 1033573002 /nfs/dbraw/zinc/57/30/02/1033573002.db2.gz VEEWSHQZPHWUCO-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045007870 1033573017 /nfs/dbraw/zinc/57/30/17/1033573017.db2.gz VEEWSHQZPHWUCO-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1c1cccc(F)c1 ZINC000472343446 1033576819 /nfs/dbraw/zinc/57/68/19/1033576819.db2.gz AIAGJTVQUMLAEY-BONVTDFDSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1c1cccc(F)c1 ZINC000472343446 1033576830 /nfs/dbraw/zinc/57/68/30/1033576830.db2.gz AIAGJTVQUMLAEY-BONVTDFDSA-N 1 2 343.324 3.897 20 0 EHADLO COC[C@@H]([NH2+]Cc1oc(C)nc1C)c1cccc(C(F)(F)F)c1 ZINC000685571275 1033582811 /nfs/dbraw/zinc/58/28/11/1033582811.db2.gz QUJYCNWMERGGPD-CQSZACIVSA-N 1 2 328.334 3.788 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000685590683 1033597753 /nfs/dbraw/zinc/59/77/53/1033597753.db2.gz WVHPUYPGLTZFHQ-GHMZBOCLSA-N 1 2 348.340 3.592 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000685590683 1033597764 /nfs/dbraw/zinc/59/77/64/1033597764.db2.gz WVHPUYPGLTZFHQ-GHMZBOCLSA-N 1 2 348.340 3.592 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000685616153 1033622618 /nfs/dbraw/zinc/62/26/18/1033622618.db2.gz PJXUVQPAXCOKNC-SECBINFHSA-N 1 2 349.232 3.552 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc3[nH+]ccn3c2)nn1C1CCCCC1 ZINC000685636539 1033651140 /nfs/dbraw/zinc/65/11/40/1033651140.db2.gz KBYLHEYJBOXANN-UHFFFAOYSA-N 1 2 338.415 3.988 20 0 EHADLO O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000107239280 1033655178 /nfs/dbraw/zinc/65/51/78/1033655178.db2.gz LUVTYMXCLXKNTM-UHFFFAOYSA-N 1 2 343.333 3.859 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651647 1033681454 /nfs/dbraw/zinc/68/14/54/1033681454.db2.gz UACLPWCGIVPNLZ-NVXWUHKLSA-N 1 2 334.423 3.819 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000343807424 1033683331 /nfs/dbraw/zinc/68/33/31/1033683331.db2.gz OADLZWQUESIFOG-ZBFHGGJFSA-N 1 2 341.480 3.668 20 0 EHADLO CCCC[C@@H](CC)COCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001168115050 1033713432 /nfs/dbraw/zinc/71/34/32/1033713432.db2.gz VWFGERDERNDXCO-MRXNPFEDSA-N 1 2 347.503 3.634 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)on1 ZINC000608502550 1033733168 /nfs/dbraw/zinc/73/31/68/1033733168.db2.gz YQASNMYIVUZMFN-UHFFFAOYSA-N 1 2 333.476 3.813 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000063858737 1033792748 /nfs/dbraw/zinc/79/27/48/1033792748.db2.gz LLRBNPUNGHCTJQ-INIZCTEOSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000063858737 1033792760 /nfs/dbraw/zinc/79/27/60/1033792760.db2.gz LLRBNPUNGHCTJQ-INIZCTEOSA-N 1 2 343.500 3.889 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000595426653 1033797323 /nfs/dbraw/zinc/79/73/23/1033797323.db2.gz RBVMGUGOBYGALK-MAUKXSAKSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000595426653 1033797329 /nfs/dbraw/zinc/79/73/29/1033797329.db2.gz RBVMGUGOBYGALK-MAUKXSAKSA-N 1 2 344.842 3.514 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635689304 1033801856 /nfs/dbraw/zinc/80/18/56/1033801856.db2.gz KVHCDLMXLMPBKU-GFCCVEGCSA-N 1 2 331.725 3.977 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccc(F)cc1F ZINC000550662138 1033830802 /nfs/dbraw/zinc/83/08/02/1033830802.db2.gz RQFWVOZKLWMPAU-BMIGLBTASA-N 1 2 334.395 3.627 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000120481779 1033850423 /nfs/dbraw/zinc/85/04/23/1033850423.db2.gz ZUVMGRHWLCPECI-AWEZNQCLSA-N 1 2 347.434 3.761 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608717223 1033851524 /nfs/dbraw/zinc/85/15/24/1033851524.db2.gz WYRZTMROECCICQ-GOSISDBHSA-N 1 2 338.455 3.840 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000120492824 1033853786 /nfs/dbraw/zinc/85/37/86/1033853786.db2.gz SGRDFJJPIMTDIL-KRWDZBQOSA-N 1 2 348.450 3.615 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000120492824 1033853802 /nfs/dbraw/zinc/85/38/02/1033853802.db2.gz SGRDFJJPIMTDIL-KRWDZBQOSA-N 1 2 348.450 3.615 20 0 EHADLO COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000599296171 1033859296 /nfs/dbraw/zinc/85/92/96/1033859296.db2.gz SYPOAFSKDIRHOO-OAHLLOKOSA-N 1 2 345.468 3.550 20 0 EHADLO COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000599296171 1033859306 /nfs/dbraw/zinc/85/93/06/1033859306.db2.gz SYPOAFSKDIRHOO-OAHLLOKOSA-N 1 2 345.468 3.550 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)cc1C ZINC000599296619 1033860909 /nfs/dbraw/zinc/86/09/09/1033860909.db2.gz AIFNATHNDUOQFF-MRXNPFEDSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)cc1C ZINC000599296619 1033860921 /nfs/dbraw/zinc/86/09/21/1033860921.db2.gz AIFNATHNDUOQFF-MRXNPFEDSA-N 1 2 329.469 3.850 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)cs1 ZINC000120511710 1033909310 /nfs/dbraw/zinc/90/93/10/1033909310.db2.gz PQGOJYVNWZVRIU-YUELXQCFSA-N 1 2 326.506 3.876 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)cs1 ZINC000120511710 1033909318 /nfs/dbraw/zinc/90/93/18/1033909318.db2.gz PQGOJYVNWZVRIU-YUELXQCFSA-N 1 2 326.506 3.876 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(F)c(Br)c1 ZINC000658095895 1033925576 /nfs/dbraw/zinc/92/55/76/1033925576.db2.gz ANVAYNBJRDHHCU-RVBZMBCESA-N 1 2 339.212 3.536 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000055152489 1033928071 /nfs/dbraw/zinc/92/80/71/1033928071.db2.gz MKVROLLUEVCIML-YJYMSZOUSA-N 1 2 342.414 3.505 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccccc1OC(F)(F)F ZINC000658099050 1033931347 /nfs/dbraw/zinc/93/13/47/1033931347.db2.gz UYVCQAMHWAZRKU-JBLDHEPKSA-N 1 2 326.322 3.533 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000603809402 1033940391 /nfs/dbraw/zinc/94/03/91/1033940391.db2.gz ZLVZPKYMDJQHEM-UHFFFAOYSA-N 1 2 330.391 3.947 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000064028023 1033943539 /nfs/dbraw/zinc/94/35/39/1033943539.db2.gz VEHRVONSAPTQTE-UHFFFAOYSA-N 1 2 333.435 3.656 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000064028023 1033943551 /nfs/dbraw/zinc/94/35/51/1033943551.db2.gz VEHRVONSAPTQTE-UHFFFAOYSA-N 1 2 333.435 3.656 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595677058 1033945150 /nfs/dbraw/zinc/94/51/50/1033945150.db2.gz RTKPDEKBQBHUSE-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595677058 1033945161 /nfs/dbraw/zinc/94/51/61/1033945161.db2.gz RTKPDEKBQBHUSE-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO C[C@@H]([NH2+]Cc1occc1Br)c1ccc2c(c1)OCCO2 ZINC000227364120 1033953148 /nfs/dbraw/zinc/95/31/48/1033953148.db2.gz AYZPDPIEYYHULS-SNVBAGLBSA-N 1 2 338.201 3.664 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000669700008 1033956879 /nfs/dbraw/zinc/95/68/79/1033956879.db2.gz LOUMUFNVLSRUAO-BLLLJJGKSA-N 1 2 341.377 3.786 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000658118675 1033972499 /nfs/dbraw/zinc/97/24/99/1033972499.db2.gz ILCNYEJTWISOJY-LBPRGKRZSA-N 1 2 332.469 3.890 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000450271071 1033990365 /nfs/dbraw/zinc/99/03/65/1033990365.db2.gz PACZPPZPPPVONM-UHFFFAOYSA-N 1 2 348.443 3.524 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)n1 ZINC000658160216 1034018180 /nfs/dbraw/zinc/01/81/80/1034018180.db2.gz WOVGBYVOTIDSLX-UVFQYZLESA-N 1 2 342.487 3.917 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2[nH]cnc2c1 ZINC000101665978 1034025879 /nfs/dbraw/zinc/02/58/79/1034025879.db2.gz TZPJYQBRTQKVBE-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO CCC(=O)N[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450289394 1034031551 /nfs/dbraw/zinc/03/15/51/1034031551.db2.gz BNBLAUBXULPKSZ-NSHDSACASA-N 1 2 335.810 3.522 20 0 EHADLO CCSc1cccc(F)c1NC(=O)NCCCCn1cc[nH+]c1 ZINC000685700374 1034044053 /nfs/dbraw/zinc/04/40/53/1034044053.db2.gz NJQPKAGDUUOZPO-UHFFFAOYSA-N 1 2 336.436 3.736 20 0 EHADLO c1ccc(CCOC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450297052 1034073804 /nfs/dbraw/zinc/07/38/04/1034073804.db2.gz GXCJHGIYKGWHQH-UHFFFAOYSA-N 1 2 343.496 3.639 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000596085113 1034076266 /nfs/dbraw/zinc/07/62/66/1034076266.db2.gz AGBGCYXKUAPBAZ-INIZCTEOSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC000596089694 1034076342 /nfs/dbraw/zinc/07/63/42/1034076342.db2.gz IKBSIAWRBATKGD-UHFFFAOYSA-N 1 2 337.423 3.816 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)c1F ZINC000658228820 1034086415 /nfs/dbraw/zinc/08/64/15/1034086415.db2.gz WWHAJJFIBFZUIN-OAHLLOKOSA-N 1 2 330.403 3.850 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000456067211 1034087985 /nfs/dbraw/zinc/08/79/85/1034087985.db2.gz NMRHSDIESNRGMR-OAHLLOKOSA-N 1 2 332.513 3.924 20 0 EHADLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cc2ccccc2o1 ZINC000120748041 1034092825 /nfs/dbraw/zinc/09/28/25/1034092825.db2.gz WIAXKAFDONGGSI-RHSMWYFYSA-N 1 2 336.391 3.611 20 0 EHADLO COCC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1ccccc1 ZINC000450312962 1034094300 /nfs/dbraw/zinc/09/43/00/1034094300.db2.gz JJAXJSVXCKVGNU-AWEZNQCLSA-N 1 2 341.377 3.655 20 0 EHADLO COCC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1ccccc1 ZINC000450312962 1034094311 /nfs/dbraw/zinc/09/43/11/1034094311.db2.gz JJAXJSVXCKVGNU-AWEZNQCLSA-N 1 2 341.377 3.655 20 0 EHADLO Cn1c[nH+]cc1CN1CCCc2c(NC(=O)OC(C)(C)C)cccc21 ZINC000119144893 1034099917 /nfs/dbraw/zinc/09/99/17/1034099917.db2.gz XKWOBHOCPNBWPK-UHFFFAOYSA-N 1 2 342.443 3.720 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000119143700 1034100874 /nfs/dbraw/zinc/10/08/74/1034100874.db2.gz KZXKLGOWDHDWOJ-MRXNPFEDSA-N 1 2 338.451 3.653 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000119143700 1034100882 /nfs/dbraw/zinc/10/08/82/1034100882.db2.gz KZXKLGOWDHDWOJ-MRXNPFEDSA-N 1 2 338.451 3.653 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529528344 1034109103 /nfs/dbraw/zinc/10/91/03/1034109103.db2.gz FMJDSNDFDVHWEK-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000612115662 1034112707 /nfs/dbraw/zinc/11/27/07/1034112707.db2.gz MHUZGFPOKSHPKS-FRBHRHKVSA-N 1 2 349.478 3.930 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000119228479 1034116686 /nfs/dbraw/zinc/11/66/86/1034116686.db2.gz VULADTKOJRLOIC-CYBMUJFWSA-N 1 2 332.831 3.775 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000119228479 1034116695 /nfs/dbraw/zinc/11/66/95/1034116695.db2.gz VULADTKOJRLOIC-CYBMUJFWSA-N 1 2 332.831 3.775 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)[nH]1 ZINC000529535204 1034123765 /nfs/dbraw/zinc/12/37/65/1034123765.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)[nH]1 ZINC000529535204 1034123772 /nfs/dbraw/zinc/12/37/72/1034123772.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)n1 ZINC000529535204 1034123777 /nfs/dbraw/zinc/12/37/77/1034123777.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)n1 ZINC000529535204 1034123781 /nfs/dbraw/zinc/12/37/81/1034123781.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)n[nH]1 ZINC000529535204 1034123785 /nfs/dbraw/zinc/12/37/85/1034123785.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)n[nH]1 ZINC000529535204 1034123793 /nfs/dbraw/zinc/12/37/93/1034123793.db2.gz GMFLAPRJCOIVNL-LLVKDONJSA-N 1 2 330.379 3.573 20 0 EHADLO CCCCc1nc(C[N@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)no1 ZINC000596222436 1034125688 /nfs/dbraw/zinc/12/56/88/1034125688.db2.gz IJGKLVMXPUWBNG-HNNXBMFYSA-N 1 2 331.460 3.874 20 0 EHADLO CCCCc1nc(C[N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)no1 ZINC000596222436 1034125693 /nfs/dbraw/zinc/12/56/93/1034125693.db2.gz IJGKLVMXPUWBNG-HNNXBMFYSA-N 1 2 331.460 3.874 20 0 EHADLO Oc1cccc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)c1 ZINC000529521693 1034129773 /nfs/dbraw/zinc/12/97/73/1034129773.db2.gz SXZLBBVSJPYSCL-UHFFFAOYSA-N 1 2 342.386 3.795 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(F)cc1OC ZINC000529524981 1034135642 /nfs/dbraw/zinc/13/56/42/1034135642.db2.gz MYJXDZUKVMMGMO-HNNXBMFYSA-N 1 2 334.391 3.867 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c(F)cc1OC ZINC000529524981 1034135650 /nfs/dbraw/zinc/13/56/50/1034135650.db2.gz MYJXDZUKVMMGMO-HNNXBMFYSA-N 1 2 334.391 3.867 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000669775228 1034151762 /nfs/dbraw/zinc/15/17/62/1034151762.db2.gz CIYMRSFLPMBZBI-UHFFFAOYSA-N 1 2 346.352 3.832 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000669775228 1034151770 /nfs/dbraw/zinc/15/17/70/1034151770.db2.gz CIYMRSFLPMBZBI-UHFFFAOYSA-N 1 2 346.352 3.832 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119507422 1034174807 /nfs/dbraw/zinc/17/48/07/1034174807.db2.gz QRQDMLSQZPFNSP-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119507422 1034174819 /nfs/dbraw/zinc/17/48/19/1034174819.db2.gz QRQDMLSQZPFNSP-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120835172 1034180602 /nfs/dbraw/zinc/18/06/02/1034180602.db2.gz NKACLLWBPKTVES-HUUCEWRRSA-N 1 2 329.469 3.564 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@H](c4cccc(F)c4)C3)no2)c1 ZINC000450359371 1034195710 /nfs/dbraw/zinc/19/57/10/1034195710.db2.gz VTSVZBUUWFBDGN-HNNXBMFYSA-N 1 2 338.386 3.569 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)no2)c1 ZINC000450359371 1034195721 /nfs/dbraw/zinc/19/57/21/1034195721.db2.gz VTSVZBUUWFBDGN-HNNXBMFYSA-N 1 2 338.386 3.569 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2Br)[C@H]1[C@@H]1CCCO1 ZINC000529578370 1034207399 /nfs/dbraw/zinc/20/73/99/1034207399.db2.gz RFSYZGROLVTBRN-RYUDHWBXSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2Br)[C@H]1[C@@H]1CCCO1 ZINC000529578370 1034207413 /nfs/dbraw/zinc/20/74/13/1034207413.db2.gz RFSYZGROLVTBRN-RYUDHWBXSA-N 1 2 330.291 3.900 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1nccn1C ZINC000658335878 1034209699 /nfs/dbraw/zinc/20/96/99/1034209699.db2.gz IPIMDIZNWDMAQM-VHSXEESVSA-N 1 2 326.213 3.734 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000060129986 1034240380 /nfs/dbraw/zinc/24/03/80/1034240380.db2.gz QBXWTNJWJQUBMJ-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO COc1ccc(C[N@@H+]2CCOCC23CCC3)cc1OCCC(C)C ZINC000537623362 1034242804 /nfs/dbraw/zinc/24/28/04/1034242804.db2.gz ALLYABWIKJFXGL-UHFFFAOYSA-N 1 2 333.472 3.875 20 0 EHADLO COc1ccc(C[N@H+]2CCOCC23CCC3)cc1OCCC(C)C ZINC000537623362 1034242817 /nfs/dbraw/zinc/24/28/17/1034242817.db2.gz ALLYABWIKJFXGL-UHFFFAOYSA-N 1 2 333.472 3.875 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120979866 1034278138 /nfs/dbraw/zinc/27/81/38/1034278138.db2.gz CGGADKREHOWWHJ-MRXNPFEDSA-N 1 2 336.391 3.738 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@H](C)[N@H+]1C ZINC000647392162 1034280885 /nfs/dbraw/zinc/28/08/85/1034280885.db2.gz ZMBGXUVWVWRLHN-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@H](C)[N@@H+]1C ZINC000647392162 1034280895 /nfs/dbraw/zinc/28/08/95/1034280895.db2.gz ZMBGXUVWVWRLHN-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614382 1034323612 /nfs/dbraw/zinc/32/36/12/1034323612.db2.gz XJJNCFWJUVHYJD-BPUTZDHNSA-N 1 2 347.484 3.846 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614382 1034323625 /nfs/dbraw/zinc/32/36/25/1034323625.db2.gz XJJNCFWJUVHYJD-BPUTZDHNSA-N 1 2 347.484 3.846 20 0 EHADLO FC(F)n1ccnc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000372299210 1034326430 /nfs/dbraw/zinc/32/64/30/1034326430.db2.gz WVBTWKXSMGACBP-UHFFFAOYSA-N 1 2 341.365 3.806 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cn(C)nc1-c1ccccc1)n1cc[nH+]c1 ZINC000635763534 1034352250 /nfs/dbraw/zinc/35/22/50/1034352250.db2.gz AEOQTOIZVZGDEX-QGZVFWFLSA-N 1 2 337.427 3.510 20 0 EHADLO C[C@@H](CCC1CCCCC1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000604380643 1034353599 /nfs/dbraw/zinc/35/35/99/1034353599.db2.gz SAKKPWZKHCNRAY-FUHWJXTLSA-N 1 2 346.519 3.846 20 0 EHADLO C[C@@H](CCC1CCCCC1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000604380643 1034353607 /nfs/dbraw/zinc/35/36/07/1034353607.db2.gz SAKKPWZKHCNRAY-FUHWJXTLSA-N 1 2 346.519 3.846 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccccc2Cl)nn1 ZINC000892451335 1034368506 /nfs/dbraw/zinc/36/85/06/1034368506.db2.gz RNKVMADBQZBXSM-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(F)F)cc3F)[nH+]c12 ZINC000548893942 1034411075 /nfs/dbraw/zinc/41/10/75/1034411075.db2.gz DWMAMCDFCWHXKY-UHFFFAOYSA-N 1 2 349.312 3.564 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599581 1034419514 /nfs/dbraw/zinc/41/95/14/1034419514.db2.gz UCPMCSDEXOYXBF-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H](c2ccccc2)O1 ZINC000534349190 1034421171 /nfs/dbraw/zinc/42/11/71/1034421171.db2.gz PEMPAPPIBRZHPN-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H](c2ccccc2)O1 ZINC000534349190 1034421183 /nfs/dbraw/zinc/42/11/83/1034421183.db2.gz PEMPAPPIBRZHPN-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604584373 1034428776 /nfs/dbraw/zinc/42/87/76/1034428776.db2.gz QFIYQHASQZFDQW-UTKZUKDTSA-N 1 2 349.478 3.590 20 0 EHADLO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cc[nH+]c1 ZINC000529692118 1034434414 /nfs/dbraw/zinc/43/44/14/1034434414.db2.gz OPCUEPPYKJEEQO-UHFFFAOYSA-N 1 2 339.361 3.587 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)NCCCn1cc[nH+]c1 ZINC000604631014 1034440000 /nfs/dbraw/zinc/44/00/00/1034440000.db2.gz XBMZTKWBYZKPAI-KRWDZBQOSA-N 1 2 334.508 3.958 20 0 EHADLO CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCCC1 ZINC000604670254 1034448613 /nfs/dbraw/zinc/44/86/13/1034448613.db2.gz DKGZXACOQIYVRY-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccc(F)c(F)c31)C2 ZINC000456444380 1034455579 /nfs/dbraw/zinc/45/55/79/1034455579.db2.gz WCFMLCVARCVPKK-GFCCVEGCSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccc(F)c(F)c31)CC2 ZINC000456444380 1034455591 /nfs/dbraw/zinc/45/55/91/1034455591.db2.gz WCFMLCVARCVPKK-GFCCVEGCSA-N 1 2 345.393 3.506 20 0 EHADLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)s1 ZINC000121151419 1034475620 /nfs/dbraw/zinc/47/56/20/1034475620.db2.gz QOGJGAOQCFUIFH-DGCLKSJQSA-N 1 2 336.844 3.580 20 0 EHADLO CCc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccco4)C3)cc(=O)oc2c1 ZINC000121155113 1034477488 /nfs/dbraw/zinc/47/74/88/1034477488.db2.gz UALTVWXHEGPBNL-LJQANCHMSA-N 1 2 339.391 3.522 20 0 EHADLO CCc1ccc2c(C[N@H+]3CCO[C@@H](c4ccco4)C3)cc(=O)oc2c1 ZINC000121155113 1034477499 /nfs/dbraw/zinc/47/74/99/1034477499.db2.gz UALTVWXHEGPBNL-LJQANCHMSA-N 1 2 339.391 3.522 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000456488555 1034495186 /nfs/dbraw/zinc/49/51/86/1034495186.db2.gz VZEGQYSOYGVOSK-HOCLYGCPSA-N 1 2 331.847 3.997 20 0 EHADLO CC(C)(C)C(=O)CCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450542278 1034498937 /nfs/dbraw/zinc/49/89/37/1034498937.db2.gz UAUXLJJMDYEBAW-UHFFFAOYSA-N 1 2 347.503 3.687 20 0 EHADLO COc1cccc(SC)c1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636033502 1034501134 /nfs/dbraw/zinc/50/11/34/1034501134.db2.gz GTQAOSVFNRPNSR-CYBMUJFWSA-N 1 2 333.457 3.840 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000534428755 1034513103 /nfs/dbraw/zinc/51/31/03/1034513103.db2.gz IKKNOBQRQMKHOF-QGZVFWFLSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000450562498 1034523600 /nfs/dbraw/zinc/52/36/00/1034523600.db2.gz SLRGZHUOCDHFKJ-UHFFFAOYSA-N 1 2 335.448 3.596 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000060454996 1034546835 /nfs/dbraw/zinc/54/68/35/1034546835.db2.gz JTZHLMKMVFLFMY-UHFFFAOYSA-N 1 2 338.329 3.746 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000597164837 1034571545 /nfs/dbraw/zinc/57/15/45/1034571545.db2.gz HXIJPQFYTGDQCO-AWEZNQCLSA-N 1 2 344.480 3.590 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000597164837 1034571556 /nfs/dbraw/zinc/57/15/56/1034571556.db2.gz HXIJPQFYTGDQCO-AWEZNQCLSA-N 1 2 344.480 3.590 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCCc2ccccc2C1 ZINC000171726381 1034592552 /nfs/dbraw/zinc/59/25/52/1034592552.db2.gz GJZYTMRZYBDWLL-UHFFFAOYSA-N 1 2 346.434 3.530 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000534526820 1034648284 /nfs/dbraw/zinc/64/82/84/1034648284.db2.gz KAYMUYHHBSLDDG-MRXNPFEDSA-N 1 2 328.481 3.504 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000605154555 1034652175 /nfs/dbraw/zinc/65/21/75/1034652175.db2.gz UMTLNLQKPLWVIB-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000605154555 1034652180 /nfs/dbraw/zinc/65/21/80/1034652180.db2.gz UMTLNLQKPLWVIB-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000605156330 1034656580 /nfs/dbraw/zinc/65/65/80/1034656580.db2.gz RCORXDFUDJRFCP-QGZVFWFLSA-N 1 2 337.448 3.626 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000605156330 1034656588 /nfs/dbraw/zinc/65/65/88/1034656588.db2.gz RCORXDFUDJRFCP-QGZVFWFLSA-N 1 2 337.448 3.626 20 0 EHADLO C[C@H](Cc1ccsc1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000584465521 1034658070 /nfs/dbraw/zinc/65/80/70/1034658070.db2.gz MUTBOZMNTQLCDJ-RHSMWYFYSA-N 1 2 339.464 3.741 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000456776372 1034723573 /nfs/dbraw/zinc/72/35/73/1034723573.db2.gz QTVRNCZDVATPNC-WSTZPKSXSA-N 1 2 337.467 3.536 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3cn(CC4CC4)nn3)c(C)c2c1 ZINC000450729193 1034735689 /nfs/dbraw/zinc/73/56/89/1034735689.db2.gz OKSXUOJRKACGQG-ZDUSSCGKSA-N 1 2 340.427 3.602 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC(c3ccccc3F)CC2)nc2ccccc21 ZINC000605577117 1034739801 /nfs/dbraw/zinc/73/98/01/1034739801.db2.gz LLECMUUQYKSLMD-UHFFFAOYSA-N 1 2 337.398 3.854 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)s1 ZINC000450768299 1034764527 /nfs/dbraw/zinc/76/45/27/1034764527.db2.gz WOOBHKJPPGQCEM-QGZVFWFLSA-N 1 2 346.544 3.908 20 0 EHADLO FC(F)(F)c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)cs1 ZINC000628253771 1034775914 /nfs/dbraw/zinc/77/59/14/1034775914.db2.gz WPESBCKOTXWPTH-UHFFFAOYSA-N 1 2 343.374 3.600 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCCCC1 ZINC000612324652 1034784740 /nfs/dbraw/zinc/78/47/40/1034784740.db2.gz KYCRHCUCMZGPTC-UHFFFAOYSA-N 1 2 344.503 3.936 20 0 EHADLO CC(C)c1ccccc1-n1ccn(C[NH+]2CCC(C)(O)CC2)c1=S ZINC000177188908 1034795083 /nfs/dbraw/zinc/79/50/83/1034795083.db2.gz SXKUCJZERRLOTR-UHFFFAOYSA-N 1 2 345.512 3.936 20 0 EHADLO CCc1ccc(OC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000781040601 1034803269 /nfs/dbraw/zinc/80/32/69/1034803269.db2.gz VZQCVSUQYYOWHE-UHFFFAOYSA-N 1 2 344.480 3.832 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000151674485 1034815369 /nfs/dbraw/zinc/81/53/69/1034815369.db2.gz KJNBASYIHYFHLC-ZQIUZPCESA-N 1 2 346.862 3.890 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121311354 1034815559 /nfs/dbraw/zinc/81/55/59/1034815559.db2.gz AXOVRJQLLPXMSL-KRWDZBQOSA-N 1 2 342.464 3.552 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2ccc(C(C)C)cc2)CC1 ZINC000508836099 1034817802 /nfs/dbraw/zinc/81/78/02/1034817802.db2.gz QEGYDBJRHRZCEJ-MRXNPFEDSA-N 1 2 334.529 3.596 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cs1 ZINC000605707906 1034820962 /nfs/dbraw/zinc/82/09/62/1034820962.db2.gz QYICRKOMDRBJHT-DZGCQCFKSA-N 1 2 346.500 3.719 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cs1 ZINC000605707906 1034820982 /nfs/dbraw/zinc/82/09/82/1034820982.db2.gz QYICRKOMDRBJHT-DZGCQCFKSA-N 1 2 346.500 3.719 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000530003016 1034871213 /nfs/dbraw/zinc/87/12/13/1034871213.db2.gz RLKJVNJCBNZUAJ-GVDBMIGSSA-N 1 2 337.448 3.666 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000450854905 1034896658 /nfs/dbraw/zinc/89/66/58/1034896658.db2.gz DLZCHRGTIPXLRX-UHFFFAOYSA-N 1 2 335.444 3.560 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000450854905 1034896668 /nfs/dbraw/zinc/89/66/68/1034896668.db2.gz DLZCHRGTIPXLRX-UHFFFAOYSA-N 1 2 335.444 3.560 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000584478838 1034901775 /nfs/dbraw/zinc/90/17/75/1034901775.db2.gz CZQHBTXZIYAYBM-GHMZBOCLSA-N 1 2 341.333 3.557 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000584478838 1034901781 /nfs/dbraw/zinc/90/17/81/1034901781.db2.gz CZQHBTXZIYAYBM-GHMZBOCLSA-N 1 2 341.333 3.557 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000413729768 1034914875 /nfs/dbraw/zinc/91/48/75/1034914875.db2.gz USIRKWZVNKLDPI-UHFFFAOYSA-N 1 2 332.492 3.836 20 0 EHADLO C[C@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095938 1034956402 /nfs/dbraw/zinc/95/64/02/1034956402.db2.gz PCHQLWHWOHFHIB-KBPBESRZSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095938 1034956412 /nfs/dbraw/zinc/95/64/12/1034956412.db2.gz PCHQLWHWOHFHIB-KBPBESRZSA-N 1 2 347.409 3.657 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097358 1034959008 /nfs/dbraw/zinc/95/90/08/1034959008.db2.gz WSQOFUXVOVWYFE-CQSZACIVSA-N 1 2 347.409 3.657 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097358 1034959015 /nfs/dbraw/zinc/95/90/15/1034959015.db2.gz WSQOFUXVOVWYFE-CQSZACIVSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769290 1034982028 /nfs/dbraw/zinc/98/20/28/1034982028.db2.gz MZUXAUZFXFZTTR-DGCLKSJQSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769290 1034982037 /nfs/dbraw/zinc/98/20/37/1034982037.db2.gz MZUXAUZFXFZTTR-DGCLKSJQSA-N 1 2 345.270 3.557 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000612614673 1035111728 /nfs/dbraw/zinc/11/17/28/1035111728.db2.gz CMJKUHJQWMMQSS-BKVYSMKUSA-N 1 2 337.467 3.540 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccccc3nc2Cl)C[C@]2(CCOC2)O1 ZINC000376019865 1035131333 /nfs/dbraw/zinc/13/13/33/1035131333.db2.gz RYNGRCYMGTUXJH-IBGZPJMESA-N 1 2 346.858 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@]2(CCOC2)O1 ZINC000376019865 1035131342 /nfs/dbraw/zinc/13/13/42/1035131342.db2.gz RYNGRCYMGTUXJH-IBGZPJMESA-N 1 2 346.858 3.658 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413994239 1035338746 /nfs/dbraw/zinc/33/87/46/1035338746.db2.gz RRVZOWKETPDWFF-IAGOWNOFSA-N 1 2 335.451 3.626 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000613006454 1035351204 /nfs/dbraw/zinc/35/12/04/1035351204.db2.gz UXRVCHOSZVPOCZ-CQSZACIVSA-N 1 2 339.826 3.856 20 0 EHADLO Cc1cn[nH]c1C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000685843516 1035393263 /nfs/dbraw/zinc/39/32/63/1035393263.db2.gz GUNQHUIBUWSELH-UHFFFAOYSA-N 1 2 332.245 3.770 20 0 EHADLO Cc1cn[nH]c1C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000685843516 1035393266 /nfs/dbraw/zinc/39/32/66/1035393266.db2.gz GUNQHUIBUWSELH-UHFFFAOYSA-N 1 2 332.245 3.770 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755890496 1035394076 /nfs/dbraw/zinc/39/40/76/1035394076.db2.gz SYOQFBFGNXHMAP-UKTHLTGXSA-N 1 2 330.815 3.948 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000414075424 1035445967 /nfs/dbraw/zinc/44/59/67/1035445967.db2.gz NPSOSEFEMPFCGW-JGGQBBKZSA-N 1 2 346.452 3.501 20 0 EHADLO CC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc2C1 ZINC000613190470 1035446511 /nfs/dbraw/zinc/44/65/11/1035446511.db2.gz NBZGEHAUDOCAQC-IBGZPJMESA-N 1 2 345.446 3.605 20 0 EHADLO CCc1ccc([C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000161742229 1035475343 /nfs/dbraw/zinc/47/53/43/1035475343.db2.gz XRSPPKDLLNLPFR-HKUYNNGSSA-N 1 2 325.456 3.521 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000613279012 1035494095 /nfs/dbraw/zinc/49/40/95/1035494095.db2.gz ONXONOJQNGMGIH-GFOCRRMGSA-N 1 2 349.478 3.940 20 0 EHADLO CCOc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc(Cl)c1OC ZINC000571466234 1035502736 /nfs/dbraw/zinc/50/27/36/1035502736.db2.gz QXAHSESQBLRNFE-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO CCOc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)cc(Cl)c1OC ZINC000571466234 1035502742 /nfs/dbraw/zinc/50/27/42/1035502742.db2.gz QXAHSESQBLRNFE-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO CCOc1cccc(CNc2[nH+]c3ccccc3n2CCOC)c1 ZINC000185845979 1035546912 /nfs/dbraw/zinc/54/69/12/1035546912.db2.gz ZOWGSFMHFGOQIA-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO C[C@H]1CC[C@H]([NH2+]Cc2n[nH]cc2Br)c2sccc21 ZINC000571633030 1035575655 /nfs/dbraw/zinc/57/56/55/1035575655.db2.gz PDOICMNEMRDHEK-KWQFWETISA-N 1 2 326.263 3.962 20 0 EHADLO CC(C)(C)C(=O)NC[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000571636901 1035578249 /nfs/dbraw/zinc/57/82/49/1035578249.db2.gz UXFLMEQZAZWMOA-CQSZACIVSA-N 1 2 343.446 3.753 20 0 EHADLO CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376249404 1035583173 /nfs/dbraw/zinc/58/31/73/1035583173.db2.gz IJDNMYBVZGELSV-RHSMWYFYSA-N 1 2 341.455 3.537 20 0 EHADLO Fc1ccccc1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC000463528732 1035585284 /nfs/dbraw/zinc/58/52/84/1035585284.db2.gz RAMAPNPZOBAKQF-UHFFFAOYSA-N 1 2 346.409 3.847 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164993 1035593629 /nfs/dbraw/zinc/59/36/29/1035593629.db2.gz XHJBXEUZXGISJC-CYBMUJFWSA-N 1 2 341.842 3.609 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164993 1035593634 /nfs/dbraw/zinc/59/36/34/1035593634.db2.gz XHJBXEUZXGISJC-CYBMUJFWSA-N 1 2 341.842 3.609 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)ccn12 ZINC000571700815 1035598661 /nfs/dbraw/zinc/59/86/61/1035598661.db2.gz YQHJPZVHBFXQMI-UHFFFAOYSA-N 1 2 345.406 3.659 20 0 EHADLO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030654217 1035614362 /nfs/dbraw/zinc/61/43/62/1035614362.db2.gz RGNTULPJZVEXMS-UHFFFAOYSA-N 1 2 332.407 3.725 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC000457003328 1035632232 /nfs/dbraw/zinc/63/22/32/1035632232.db2.gz NMOMHAPEJXUTMB-ZIFCJYIRSA-N 1 2 339.483 3.805 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000457002684 1035633540 /nfs/dbraw/zinc/63/35/40/1035633540.db2.gz NAXPJERQKYTZDX-JTDSTZFVSA-N 1 2 325.456 3.876 20 0 EHADLO CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1nc(C)cs1 ZINC000669241562 1035643521 /nfs/dbraw/zinc/64/35/21/1035643521.db2.gz CUGHWVVGKBNNGP-HNNXBMFYSA-N 1 2 340.452 3.750 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000540768773 1035663852 /nfs/dbraw/zinc/66/38/52/1035663852.db2.gz XIFZKZIGNBRYJM-UHFFFAOYSA-N 1 2 349.377 3.506 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000540768773 1035663868 /nfs/dbraw/zinc/66/38/68/1035663868.db2.gz XIFZKZIGNBRYJM-UHFFFAOYSA-N 1 2 349.377 3.506 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c(C)c1 ZINC000414130627 1035680933 /nfs/dbraw/zinc/68/09/33/1035680933.db2.gz JSQYSCIZPBXJGX-CYBMUJFWSA-N 1 2 348.468 3.878 20 0 EHADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1ccc(F)cc1F ZINC000186951590 1035736973 /nfs/dbraw/zinc/73/69/73/1035736973.db2.gz FWOXSDACIGTFMU-UHFFFAOYSA-N 1 2 336.407 3.844 20 0 EHADLO O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000666168377 1035773012 /nfs/dbraw/zinc/77/30/12/1035773012.db2.gz WCCMJZWBHGBFMW-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO COc1ccccc1-c1ccc(C[NH2+]Cc2nnc(C)s2)cc1 ZINC000540942619 1035827160 /nfs/dbraw/zinc/82/71/60/1035827160.db2.gz ZKOPQSGOAVBJAS-UHFFFAOYSA-N 1 2 325.437 3.812 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c(C)n1 ZINC000187533660 1035838542 /nfs/dbraw/zinc/83/85/42/1035838542.db2.gz KMWKQZALWMQGGT-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO C[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)Cc1ccsc1 ZINC000613432951 1035860702 /nfs/dbraw/zinc/86/07/02/1035860702.db2.gz RLNUYBURUDEDBI-UHFFFAOYSA-N 1 2 344.524 3.836 20 0 EHADLO C[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)Cc1ccsc1 ZINC000613432951 1035860717 /nfs/dbraw/zinc/86/07/17/1035860717.db2.gz RLNUYBURUDEDBI-UHFFFAOYSA-N 1 2 344.524 3.836 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1cc2n(n1)CCC2 ZINC000414168944 1035865793 /nfs/dbraw/zinc/86/57/93/1035865793.db2.gz VBKXKKNPIPHJCR-MRXNPFEDSA-N 1 2 348.450 3.654 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(C(F)(F)F)n1 ZINC000187966119 1035872396 /nfs/dbraw/zinc/87/23/96/1035872396.db2.gz WMGIQLMDWBVJEF-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C2CC2)o1 ZINC000613441461 1035895383 /nfs/dbraw/zinc/89/53/83/1035895383.db2.gz CTMDNALPBNFZBH-HNNXBMFYSA-N 1 2 338.451 3.920 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C2CC2)o1 ZINC000613441461 1035895407 /nfs/dbraw/zinc/89/54/07/1035895407.db2.gz CTMDNALPBNFZBH-HNNXBMFYSA-N 1 2 338.451 3.920 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457270536 1035910392 /nfs/dbraw/zinc/91/03/92/1035910392.db2.gz GBXAZLQPQVDKPP-HKUYNNGSSA-N 1 2 335.451 3.589 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000613443773 1035911864 /nfs/dbraw/zinc/91/18/64/1035911864.db2.gz YREREGZZEZYAIO-APWZRJJASA-N 1 2 330.472 3.734 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000613443773 1035911879 /nfs/dbraw/zinc/91/18/79/1035911879.db2.gz YREREGZZEZYAIO-APWZRJJASA-N 1 2 330.472 3.734 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000613457299 1035916021 /nfs/dbraw/zinc/91/60/21/1035916021.db2.gz XXQNFEPECKKCSQ-QAPCUYQASA-N 1 2 341.455 3.560 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000613457299 1035916029 /nfs/dbraw/zinc/91/60/29/1035916029.db2.gz XXQNFEPECKKCSQ-QAPCUYQASA-N 1 2 341.455 3.560 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535036449 1035916563 /nfs/dbraw/zinc/91/65/63/1035916563.db2.gz UWWCUORQSXVBSP-MRXNPFEDSA-N 1 2 326.440 3.958 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000535036064 1035917654 /nfs/dbraw/zinc/91/76/54/1035917654.db2.gz JTTBVQLVIKJFSG-LBPRGKRZSA-N 1 2 338.329 3.545 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3OCC(C)C)[nH+]c12 ZINC000588365346 1035923715 /nfs/dbraw/zinc/92/37/15/1035923715.db2.gz HPIFHPZVVLEPKI-UHFFFAOYSA-N 1 2 337.423 3.859 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)c(C)c[nH+]1 ZINC000535061329 1035946532 /nfs/dbraw/zinc/94/65/32/1035946532.db2.gz MOVZCSOKWYJYBY-AWEZNQCLSA-N 1 2 331.416 3.618 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000613464270 1035963659 /nfs/dbraw/zinc/96/36/59/1035963659.db2.gz NENBEEILSNQXNK-LSDHHAIUSA-N 1 2 326.415 3.796 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000613464270 1035963668 /nfs/dbraw/zinc/96/36/68/1035963668.db2.gz NENBEEILSNQXNK-LSDHHAIUSA-N 1 2 326.415 3.796 20 0 EHADLO O=C(CCc1ccsc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188778254 1035972498 /nfs/dbraw/zinc/97/24/98/1035972498.db2.gz HTNNUCFYLGAVRU-UHFFFAOYSA-N 1 2 348.899 3.509 20 0 EHADLO O=C(CCc1ccsc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188778254 1035972507 /nfs/dbraw/zinc/97/25/07/1035972507.db2.gz HTNNUCFYLGAVRU-UHFFFAOYSA-N 1 2 348.899 3.509 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000613474403 1035991229 /nfs/dbraw/zinc/99/12/29/1035991229.db2.gz RMJXJGCSNYHUGW-HNNXBMFYSA-N 1 2 329.271 3.999 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000613474403 1035991240 /nfs/dbraw/zinc/99/12/40/1035991240.db2.gz RMJXJGCSNYHUGW-HNNXBMFYSA-N 1 2 329.271 3.999 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)cc1O ZINC000174631452 1036035798 /nfs/dbraw/zinc/03/57/98/1036035798.db2.gz WSACHPKRRIKZDC-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)cc1O ZINC000174631452 1036035818 /nfs/dbraw/zinc/03/58/18/1036035818.db2.gz WSACHPKRRIKZDC-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000613484349 1036036686 /nfs/dbraw/zinc/03/66/86/1036036686.db2.gz ABRFDGKWPJCJJR-GPMSIDNRSA-N 1 2 344.499 3.601 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000613484349 1036036710 /nfs/dbraw/zinc/03/67/10/1036036710.db2.gz ABRFDGKWPJCJJR-GPMSIDNRSA-N 1 2 344.499 3.601 20 0 EHADLO CC(=O)Nc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000170643067 1036052302 /nfs/dbraw/zinc/05/23/02/1036052302.db2.gz HTGPZWXBBOIAAW-UHFFFAOYSA-N 1 2 343.858 3.621 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572246557 1036056517 /nfs/dbraw/zinc/05/65/17/1036056517.db2.gz GQYOMWSLLBDSCI-OXFYSEKESA-N 1 2 325.456 3.910 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541186839 1036067838 /nfs/dbraw/zinc/06/78/38/1036067838.db2.gz QGEWWXRBBWBFRY-IEBWSBKVSA-N 1 2 346.519 3.911 20 0 EHADLO CC(C)c1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000535146623 1036082019 /nfs/dbraw/zinc/08/20/19/1036082019.db2.gz DRJVBHSZOPQLBA-OAHLLOKOSA-N 1 2 348.450 3.721 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140795733 1036103166 /nfs/dbraw/zinc/10/31/66/1036103166.db2.gz LVWCFYOWLFPKTE-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001140795733 1036103176 /nfs/dbraw/zinc/10/31/76/1036103176.db2.gz LVWCFYOWLFPKTE-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(COCc3ccco3)c2)s1 ZINC000892564330 1036123179 /nfs/dbraw/zinc/12/31/79/1036123179.db2.gz RCVIXYXBWWEUCA-UHFFFAOYSA-N 1 2 343.452 3.700 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@@H](C)c1ccccc1 ZINC000174880604 1036151339 /nfs/dbraw/zinc/15/13/39/1036151339.db2.gz GXLICENMNTYVNL-IAGOWNOFSA-N 1 2 340.471 3.765 20 0 EHADLO c1c(CNc2ncnc3sc4c(c32)CCCC4)[nH+]c2n1CCCC2 ZINC000588899221 1036151543 /nfs/dbraw/zinc/15/15/43/1036151543.db2.gz JUJJUNRCWYUATE-UHFFFAOYSA-N 1 2 339.468 3.715 20 0 EHADLO CCC[C@H](C)CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174895473 1036155889 /nfs/dbraw/zinc/15/58/89/1036155889.db2.gz OELHHBQBTLFICV-KRWDZBQOSA-N 1 2 331.504 3.973 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000174907103 1036161182 /nfs/dbraw/zinc/16/11/82/1036161182.db2.gz WOBXQPWHADYGMI-IEBWSBKVSA-N 1 2 343.515 3.973 20 0 EHADLO O=C(/C=C/c1cccc(-c2ccccc2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492723716 1036231075 /nfs/dbraw/zinc/23/10/75/1036231075.db2.gz XQVBJFPCGURVSS-SQUSKLHYSA-N 1 2 343.430 3.695 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cc(F)ccc2Br)c1Cl ZINC000089231982 1036286504 /nfs/dbraw/zinc/28/65/04/1036286504.db2.gz OLHGOSZWFSWRAE-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000175197859 1036273118 /nfs/dbraw/zinc/27/31/18/1036273118.db2.gz UGEHGURMPPXJJP-FQEVSTJZSA-N 1 2 334.419 3.885 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000175197859 1036273138 /nfs/dbraw/zinc/27/31/38/1036273138.db2.gz UGEHGURMPPXJJP-FQEVSTJZSA-N 1 2 334.419 3.885 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175228165 1036288420 /nfs/dbraw/zinc/28/84/20/1036288420.db2.gz BPRPKZWLJLGIBV-FNORWQNLSA-N 1 2 339.414 3.541 20 0 EHADLO Brc1ccsc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190959870 1036310480 /nfs/dbraw/zinc/31/04/80/1036310480.db2.gz FWOWNSRINPKSPM-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)ccn1 ZINC000190992773 1036316529 /nfs/dbraw/zinc/31/65/29/1036316529.db2.gz UWURJWXEASSLKH-HNNXBMFYSA-N 1 2 345.491 3.531 20 0 EHADLO Cc1cc(N2CC[C@H](Oc3cccc(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000535334877 1036332957 /nfs/dbraw/zinc/33/29/57/1036332957.db2.gz DBRZDWZPMVFLDS-INIZCTEOSA-N 1 2 329.831 3.974 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC000414265774 1036357547 /nfs/dbraw/zinc/35/75/47/1036357547.db2.gz LSZPYYAMJNXNCG-CQSZACIVSA-N 1 2 349.360 3.774 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657259 1036366969 /nfs/dbraw/zinc/36/69/69/1036366969.db2.gz CXFKHIKBGFLDAZ-JECHBYEQSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657259 1036366988 /nfs/dbraw/zinc/36/69/88/1036366988.db2.gz CXFKHIKBGFLDAZ-JECHBYEQSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000414269487 1036378359 /nfs/dbraw/zinc/37/83/59/1036378359.db2.gz UYOBWDVWUYSELD-QMTHXVAHSA-N 1 2 330.329 3.601 20 0 EHADLO CC(C)N(C)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000191408537 1036378724 /nfs/dbraw/zinc/37/87/24/1036378724.db2.gz UYSDAOVFIXOICF-UHFFFAOYSA-N 1 2 339.418 3.863 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)s1 ZINC000414269537 1036379080 /nfs/dbraw/zinc/37/90/80/1036379080.db2.gz XYMTVAQTVFZSMM-MRVPVSSYSA-N 1 2 330.379 3.674 20 0 EHADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457679950 1036386009 /nfs/dbraw/zinc/38/60/09/1036386009.db2.gz PCZTXJFTHIVKAJ-OXQOHEQNSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000572605368 1036398644 /nfs/dbraw/zinc/39/86/44/1036398644.db2.gz ILRVHUPPXTYESN-SFHVURJKSA-N 1 2 349.434 3.576 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(C(C)(C)C)no1 ZINC000191572329 1036415284 /nfs/dbraw/zinc/41/52/84/1036415284.db2.gz VLHAJZCXHRRBMB-NSHDSACASA-N 1 2 343.406 3.747 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(C2CCCCC2)CCCCC1 ZINC000472574972 1036420712 /nfs/dbraw/zinc/42/07/12/1036420712.db2.gz STOALEJLWMZDTR-KRWDZBQOSA-N 1 2 329.488 3.845 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191752286 1036426370 /nfs/dbraw/zinc/42/63/70/1036426370.db2.gz LPFZUPJUPDJMIB-GOSISDBHSA-N 1 2 332.517 3.558 20 0 EHADLO CC(C)CCn1cccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191752286 1036426386 /nfs/dbraw/zinc/42/63/86/1036426386.db2.gz LPFZUPJUPDJMIB-GOSISDBHSA-N 1 2 332.517 3.558 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535383356 1036426981 /nfs/dbraw/zinc/42/69/81/1036426981.db2.gz WGRBHZHMHNXXRK-UHFFFAOYSA-N 1 2 338.451 3.817 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535383356 1036426988 /nfs/dbraw/zinc/42/69/88/1036426988.db2.gz WGRBHZHMHNXXRK-UHFFFAOYSA-N 1 2 338.451 3.817 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000535384919 1036429456 /nfs/dbraw/zinc/42/94/56/1036429456.db2.gz FWRTVNQVKLSWOY-CYBMUJFWSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000535384919 1036429473 /nfs/dbraw/zinc/42/94/73/1036429473.db2.gz FWRTVNQVKLSWOY-CYBMUJFWSA-N 1 2 336.501 3.964 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3ccccc3Br)CC2)n[nH]1 ZINC000191687139 1036432715 /nfs/dbraw/zinc/43/27/15/1036432715.db2.gz SLESBOSTLKZHGP-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2F)on1 ZINC000926761432 1036442821 /nfs/dbraw/zinc/44/28/21/1036442821.db2.gz ZIAKKIYAQFATCM-ZETCQYMHSA-N 1 2 347.159 3.575 20 0 EHADLO C[C@]([NH2+]Cc1ccc(Cl)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000541587109 1036488227 /nfs/dbraw/zinc/48/82/27/1036488227.db2.gz RZATYXARGGCTEN-CQSZACIVSA-N 1 2 329.252 3.545 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300026 1036493820 /nfs/dbraw/zinc/49/38/20/1036493820.db2.gz WDKUVVIWHUWILG-UHFFFAOYSA-N 1 2 340.373 3.971 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300026 1036493842 /nfs/dbraw/zinc/49/38/42/1036493842.db2.gz WDKUVVIWHUWILG-UHFFFAOYSA-N 1 2 340.373 3.971 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000457776816 1036496691 /nfs/dbraw/zinc/49/66/91/1036496691.db2.gz QCNGNSDADCSTFV-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457782342 1036504030 /nfs/dbraw/zinc/50/40/30/1036504030.db2.gz YWAKJMKQBIDYRG-UHFFFAOYSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000192469959 1036511799 /nfs/dbraw/zinc/51/17/99/1036511799.db2.gz UXFAQURTDCYHIM-NSHDSACASA-N 1 2 328.366 3.683 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000192469959 1036511807 /nfs/dbraw/zinc/51/18/07/1036511807.db2.gz UXFAQURTDCYHIM-NSHDSACASA-N 1 2 328.366 3.683 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000175691575 1036514421 /nfs/dbraw/zinc/51/44/21/1036514421.db2.gz PSLAZUIADVNBOA-UHFFFAOYSA-N 1 2 348.450 3.746 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000376399913 1036528704 /nfs/dbraw/zinc/52/87/04/1036528704.db2.gz ZUMFSEYQTVXKTM-OAHLLOKOSA-N 1 2 337.423 3.919 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CCS1 ZINC000464571819 1036558928 /nfs/dbraw/zinc/55/89/28/1036558928.db2.gz PVTMYCNDGKBICJ-GFCCVEGCSA-N 1 2 342.455 3.899 20 0 EHADLO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CCS1 ZINC000464571819 1036558944 /nfs/dbraw/zinc/55/89/44/1036558944.db2.gz PVTMYCNDGKBICJ-GFCCVEGCSA-N 1 2 342.455 3.899 20 0 EHADLO COCc1ccc(CNc2[nH+]c3cc(Cl)c(Cl)cc3n2C)o1 ZINC000414305217 1036573615 /nfs/dbraw/zinc/57/36/15/1036573615.db2.gz PSWGLJLJISSRHJ-UHFFFAOYSA-N 1 2 340.210 3.654 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)no1 ZINC000541704096 1036580903 /nfs/dbraw/zinc/58/09/03/1036580903.db2.gz YCEOTFWSKHVCDI-QAPCUYQASA-N 1 2 349.434 3.623 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000491248201 1036634015 /nfs/dbraw/zinc/63/40/15/1036634015.db2.gz BAHUYGXZFMHTHJ-IUCKJTJTSA-N 1 2 339.370 3.500 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000176535201 1036639900 /nfs/dbraw/zinc/63/99/00/1036639900.db2.gz ZJLLVWUZPXOKGQ-KRWDZBQOSA-N 1 2 333.370 3.704 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ncsc1C1CC1 ZINC000914118746 1036675051 /nfs/dbraw/zinc/67/50/51/1036675051.db2.gz GQELOKTXXSJEFT-CQSZACIVSA-N 1 2 338.436 3.904 20 0 EHADLO CC[NH+](CC)Cc1c(Br)cccc1NCC1CC(=O)C1 ZINC001168396178 1036681495 /nfs/dbraw/zinc/68/14/95/1036681495.db2.gz QMEMMDPEMQYJOL-UHFFFAOYSA-N 1 2 339.277 3.682 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425831 1036681824 /nfs/dbraw/zinc/68/18/24/1036681824.db2.gz JFMMXEIVHGQGGT-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425831 1036681841 /nfs/dbraw/zinc/68/18/41/1036681841.db2.gz JFMMXEIVHGQGGT-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO Cc1cccn2cc(Cc3nc([C@@H]4C[C@H]4c4ccccc4)no3)[nH+]c12 ZINC000549065529 1036694558 /nfs/dbraw/zinc/69/45/58/1036694558.db2.gz HCXPTZUTFBOFSC-DLBZAZTESA-N 1 2 330.391 3.888 20 0 EHADLO O=C(c1ccc(-c2ccccc2)cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987868 1036705218 /nfs/dbraw/zinc/70/52/18/1036705218.db2.gz JBOPAZDICWDPSG-UHFFFAOYSA-N 1 2 330.387 3.652 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152441733 1036723554 /nfs/dbraw/zinc/72/35/54/1036723554.db2.gz TXQLINUODSSGEB-LVPXMUDFSA-N 1 2 348.805 3.647 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152441733 1036723570 /nfs/dbraw/zinc/72/35/70/1036723570.db2.gz TXQLINUODSSGEB-LVPXMUDFSA-N 1 2 348.805 3.647 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000176953955 1036737111 /nfs/dbraw/zinc/73/71/11/1036737111.db2.gz MNIYLHSBHZNZOG-SFHVURJKSA-N 1 2 341.846 3.596 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000176953955 1036737132 /nfs/dbraw/zinc/73/71/32/1036737132.db2.gz MNIYLHSBHZNZOG-SFHVURJKSA-N 1 2 341.846 3.596 20 0 EHADLO CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000102650644 1036738200 /nfs/dbraw/zinc/73/82/00/1036738200.db2.gz DZWQGMFKNQPVTB-LJQANCHMSA-N 1 2 328.843 3.594 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)oc1C ZINC000590111378 1036757981 /nfs/dbraw/zinc/75/79/81/1036757981.db2.gz IQBZAJBLESKQFH-IFXJQAMLSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)oc1C ZINC000590111378 1036757994 /nfs/dbraw/zinc/75/79/94/1036757994.db2.gz IQBZAJBLESKQFH-IFXJQAMLSA-N 1 2 343.423 3.818 20 0 EHADLO CCN1CCc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc21 ZINC000590259371 1036810835 /nfs/dbraw/zinc/81/08/35/1036810835.db2.gz SBVLLFPRLSOTNN-UHFFFAOYSA-N 1 2 346.434 3.566 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000590280339 1036820117 /nfs/dbraw/zinc/82/01/17/1036820117.db2.gz NHDWYLJNMCHJQH-MRXNPFEDSA-N 1 2 333.435 3.968 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(OC)cc(C)[nH+]1)[C@@H]2C ZINC000541922159 1036823508 /nfs/dbraw/zinc/82/35/08/1036823508.db2.gz PPIRFLRGACEBJR-HUUCEWRRSA-N 1 2 326.440 3.915 20 0 EHADLO COc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000103091229 1036837320 /nfs/dbraw/zinc/83/73/20/1036837320.db2.gz RRKCVMFJYORKIJ-UHFFFAOYSA-N 1 2 349.434 3.521 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c(Cl)c1 ZINC000177415259 1036838662 /nfs/dbraw/zinc/83/86/62/1036838662.db2.gz HKPYKKAUGCQFBF-CABCVRRESA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c(Cl)c1 ZINC000177415259 1036838670 /nfs/dbraw/zinc/83/86/70/1036838670.db2.gz HKPYKKAUGCQFBF-CABCVRRESA-N 1 2 338.879 3.722 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)cs1 ZINC000414348121 1036861688 /nfs/dbraw/zinc/86/16/88/1036861688.db2.gz IJDVSKILLFBYLN-SECBINFHSA-N 1 2 326.368 3.878 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)nnn1-c1ccc(F)cc1 ZINC000177720040 1036921834 /nfs/dbraw/zinc/92/18/34/1036921834.db2.gz MNHNSJWFWIURKU-NSHDSACASA-N 1 2 346.356 3.844 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)Nc1ccccc1 ZINC000103490010 1036928991 /nfs/dbraw/zinc/92/89/91/1036928991.db2.gz NQDFEAHYZBZVEK-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2Cl)C1)Nc1ccccc1 ZINC000103490010 1036929012 /nfs/dbraw/zinc/92/90/12/1036929012.db2.gz NQDFEAHYZBZVEK-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000467576251 1036935537 /nfs/dbraw/zinc/93/55/37/1036935537.db2.gz DFZZMAJJQCMPRD-UZLBHIALSA-N 1 2 345.487 3.734 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cccc(Br)c2F)C1 ZINC000648490581 1036965288 /nfs/dbraw/zinc/96/52/88/1036965288.db2.gz OPPRYUKIYHSMDT-INIZCTEOSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cccc(Br)c2F)C1 ZINC000648490581 1036965310 /nfs/dbraw/zinc/96/53/10/1036965310.db2.gz OPPRYUKIYHSMDT-INIZCTEOSA-N 1 2 349.247 3.865 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000024750311 1036987173 /nfs/dbraw/zinc/98/71/73/1036987173.db2.gz YIBKAFRPWTXWNW-RBUKOAKNSA-N 1 2 337.467 3.786 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(F)cccc1Cl ZINC000414363024 1037001294 /nfs/dbraw/zinc/00/12/94/1037001294.db2.gz KPBBLIMABIEQIA-SECBINFHSA-N 1 2 347.864 3.795 20 0 EHADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(c2ccccc2F)CCCC1 ZINC000590728450 1037008209 /nfs/dbraw/zinc/00/82/09/1037008209.db2.gz MTEJQGOMOLPONP-INIZCTEOSA-N 1 2 341.430 3.698 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000897434382 1037015333 /nfs/dbraw/zinc/01/53/33/1037015333.db2.gz RXMCVPKVGMAYGG-UHFFFAOYSA-N 1 2 345.874 3.986 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@H]2CCCCS2)no1 ZINC000350445512 1037016168 /nfs/dbraw/zinc/01/61/68/1037016168.db2.gz CMYCXDSPFPAKKC-MRXNPFEDSA-N 1 2 340.452 3.863 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590734104 1037035306 /nfs/dbraw/zinc/03/53/06/1037035306.db2.gz YPMZDYPFDAOKQS-INIZCTEOSA-N 1 2 331.847 3.641 20 0 EHADLO CCc1ncc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000414368888 1037042623 /nfs/dbraw/zinc/04/26/23/1037042623.db2.gz HVXSWFCQZDPCTP-UHFFFAOYSA-N 1 2 325.334 3.570 20 0 EHADLO CCc1ncc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000414368888 1037042641 /nfs/dbraw/zinc/04/26/41/1037042641.db2.gz HVXSWFCQZDPCTP-UHFFFAOYSA-N 1 2 325.334 3.570 20 0 EHADLO CC(C)[C@H](CC[N@H+](C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC000178468115 1037048259 /nfs/dbraw/zinc/04/82/59/1037048259.db2.gz IDSHOQFGCRGLRF-AWEZNQCLSA-N 1 2 327.494 3.514 20 0 EHADLO CC(C)[C@H](CC[N@@H+](C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC000178468115 1037048280 /nfs/dbraw/zinc/04/82/80/1037048280.db2.gz IDSHOQFGCRGLRF-AWEZNQCLSA-N 1 2 327.494 3.514 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)nc2sccn21 ZINC000053157485 1037049254 /nfs/dbraw/zinc/04/92/54/1037049254.db2.gz IPZLMSDFCKAHGA-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)nc2sccn21 ZINC000053157485 1037049264 /nfs/dbraw/zinc/04/92/64/1037049264.db2.gz IPZLMSDFCKAHGA-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO CCc1ncc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000414370449 1037053087 /nfs/dbraw/zinc/05/30/87/1037053087.db2.gz LTQNAGJIULHTNX-HNNXBMFYSA-N 1 2 344.890 3.571 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542096536 1037069053 /nfs/dbraw/zinc/06/90/53/1037069053.db2.gz XYYMDZZAVBVZEJ-CRAIPNDOSA-N 1 2 342.405 3.936 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542096536 1037069072 /nfs/dbraw/zinc/06/90/72/1037069072.db2.gz XYYMDZZAVBVZEJ-CRAIPNDOSA-N 1 2 342.405 3.936 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000104663608 1037080009 /nfs/dbraw/zinc/08/00/09/1037080009.db2.gz BKWHDUMWEBBQLT-QFIPXVFZSA-N 1 2 337.872 3.588 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)CC[S@@](=O)c1ccccc1 ZINC000104663608 1037080021 /nfs/dbraw/zinc/08/00/21/1037080021.db2.gz BKWHDUMWEBBQLT-QFIPXVFZSA-N 1 2 337.872 3.588 20 0 EHADLO C[C@@H](COc1ccccc1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000761529488 1037104810 /nfs/dbraw/zinc/10/48/10/1037104810.db2.gz JIHDNZIVVMGPLO-INIZCTEOSA-N 1 2 336.391 3.631 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590871114 1037108650 /nfs/dbraw/zinc/10/86/50/1037108650.db2.gz OBHMXXNEBUWWIW-OKZBNKHCSA-N 1 2 332.492 3.835 20 0 EHADLO C[C@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590893673 1037109364 /nfs/dbraw/zinc/10/93/64/1037109364.db2.gz JNEHDZLYVVCTAU-HRAATJIYSA-N 1 2 345.446 3.871 20 0 EHADLO C[N@H+](CCCCc1ccccc1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414375500 1037111114 /nfs/dbraw/zinc/11/11/14/1037111114.db2.gz XKMCUTBWDMMFLC-UHFFFAOYSA-N 1 2 337.510 3.606 20 0 EHADLO C[N@@H+](CCCCc1ccccc1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414375500 1037111128 /nfs/dbraw/zinc/11/11/28/1037111128.db2.gz XKMCUTBWDMMFLC-UHFFFAOYSA-N 1 2 337.510 3.606 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)Cc1scnc1C ZINC000414382087 1037182468 /nfs/dbraw/zinc/18/24/68/1037182468.db2.gz NNICGXSFUVKTGN-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)Cc1scnc1C ZINC000414382087 1037182479 /nfs/dbraw/zinc/18/24/79/1037182479.db2.gz NNICGXSFUVKTGN-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)o1 ZINC000591091273 1037216637 /nfs/dbraw/zinc/21/66/37/1037216637.db2.gz VKWSOXAKTNIGRZ-DOTOQJQBSA-N 1 2 341.455 3.739 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000493287906 1037222945 /nfs/dbraw/zinc/22/29/45/1037222945.db2.gz IFMIXEFMDYYGDC-VQHVLOKHSA-N 1 2 341.411 3.617 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2noc(C3CCCCC3)n2)c(C)[nH+]1 ZINC000187173019 1037234900 /nfs/dbraw/zinc/23/49/00/1037234900.db2.gz BAPLEDTTWGYJEQ-HSZRJFAPSA-N 1 2 333.457 3.578 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000052710749 1037267180 /nfs/dbraw/zinc/26/71/80/1037267180.db2.gz YXCOWNVHZWOCPA-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000052710749 1037267196 /nfs/dbraw/zinc/26/71/96/1037267196.db2.gz YXCOWNVHZWOCPA-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1F ZINC000591249570 1037268598 /nfs/dbraw/zinc/26/85/98/1037268598.db2.gz BQIOVIFSWCIBFN-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO Cc1cn(C2CCCCC2)nc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000542310259 1037275926 /nfs/dbraw/zinc/27/59/26/1037275926.db2.gz FWBQGNWTYUBMCK-UHFFFAOYSA-N 1 2 341.484 3.978 20 0 EHADLO CCC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000591231608 1037280101 /nfs/dbraw/zinc/28/01/01/1037280101.db2.gz LEUYMMPHKMGROR-LJQANCHMSA-N 1 2 334.423 3.598 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000637327185 1037292959 /nfs/dbraw/zinc/29/29/59/1037292959.db2.gz PYTDLJUIFBHXTO-UHFFFAOYSA-N 1 2 330.476 3.515 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000637327185 1037292980 /nfs/dbraw/zinc/29/29/80/1037292980.db2.gz PYTDLJUIFBHXTO-UHFFFAOYSA-N 1 2 330.476 3.515 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395922 1037319313 /nfs/dbraw/zinc/31/93/13/1037319313.db2.gz LBDSEZZWPBXWKY-GOEBONIOSA-N 1 2 349.521 3.605 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395922 1037319329 /nfs/dbraw/zinc/31/93/29/1037319329.db2.gz LBDSEZZWPBXWKY-GOEBONIOSA-N 1 2 349.521 3.605 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043156473 1037353903 /nfs/dbraw/zinc/35/39/03/1037353903.db2.gz CGUUWTCPVJDEPK-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@H]3Cc4ccccc43)c12 ZINC000301118582 1037359223 /nfs/dbraw/zinc/35/92/23/1037359223.db2.gz XSMNXCHIRJIKKA-OAHLLOKOSA-N 1 2 327.391 3.567 20 0 EHADLO CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1cccnc1 ZINC000152590216 1037366700 /nfs/dbraw/zinc/36/67/00/1037366700.db2.gz WVUAWLYTVZRGJC-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1cccnc1 ZINC000152590216 1037366715 /nfs/dbraw/zinc/36/67/15/1037366715.db2.gz WVUAWLYTVZRGJC-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC3 ZINC000591382540 1037382078 /nfs/dbraw/zinc/38/20/78/1037382078.db2.gz ZUHWMNJAWFYGKI-MRXNPFEDSA-N 1 2 341.499 3.868 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC3 ZINC000591382540 1037382088 /nfs/dbraw/zinc/38/20/88/1037382088.db2.gz ZUHWMNJAWFYGKI-MRXNPFEDSA-N 1 2 341.499 3.868 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000376515124 1037382528 /nfs/dbraw/zinc/38/25/28/1037382528.db2.gz NQNIGHXRPKPQSX-HIFRSBDPSA-N 1 2 346.272 3.865 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000376515124 1037382540 /nfs/dbraw/zinc/38/25/40/1037382540.db2.gz NQNIGHXRPKPQSX-HIFRSBDPSA-N 1 2 346.272 3.865 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177189296 1037413646 /nfs/dbraw/zinc/41/36/46/1037413646.db2.gz BBPCVQHSWMRJOI-IRXDYDNUSA-N 1 2 343.496 3.829 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177189296 1037413661 /nfs/dbraw/zinc/41/36/61/1037413661.db2.gz BBPCVQHSWMRJOI-IRXDYDNUSA-N 1 2 343.496 3.829 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000376519833 1037417436 /nfs/dbraw/zinc/41/74/36/1037417436.db2.gz TTWKBDKLMMYHAB-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000376519833 1037417448 /nfs/dbraw/zinc/41/74/48/1037417448.db2.gz TTWKBDKLMMYHAB-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491381929 1037437194 /nfs/dbraw/zinc/43/71/94/1037437194.db2.gz IJWOUGZWRFPOMT-RQOWECAXSA-N 1 2 333.794 3.622 20 0 EHADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000669853544 1037441926 /nfs/dbraw/zinc/44/19/26/1037441926.db2.gz WMVRLYBGZCIDTF-CQSZACIVSA-N 1 2 344.484 3.694 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000029914248 1037444469 /nfs/dbraw/zinc/44/44/69/1037444469.db2.gz URZIXHIWSFBMCG-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065502 1037444892 /nfs/dbraw/zinc/44/48/92/1037444892.db2.gz MVMCGIQPZKOZKW-UHFFFAOYSA-N 1 2 349.434 3.524 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491423893 1037452057 /nfs/dbraw/zinc/45/20/57/1037452057.db2.gz QDGDKOHPAYNQBQ-UGSOOPFHSA-N 1 2 348.849 3.991 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1cccs1 ZINC000573410578 1037507802 /nfs/dbraw/zinc/50/78/02/1037507802.db2.gz GSZLQGRAUCBOGQ-UHFFFAOYSA-N 1 2 341.473 3.572 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1cccs1 ZINC000573410578 1037507813 /nfs/dbraw/zinc/50/78/13/1037507813.db2.gz GSZLQGRAUCBOGQ-UHFFFAOYSA-N 1 2 341.473 3.572 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007613796 1037518699 /nfs/dbraw/zinc/51/86/99/1037518699.db2.gz BKVDRPFKJUZDFY-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007613796 1037518711 /nfs/dbraw/zinc/51/87/11/1037518711.db2.gz BKVDRPFKJUZDFY-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C\c2ccsc2)c1)[NH+]1CCOCC1 ZINC000491530626 1037524590 /nfs/dbraw/zinc/52/45/90/1037524590.db2.gz CFEFSVWCPIRXGE-IYKSTZQJSA-N 1 2 342.464 3.793 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000613544650 1037536224 /nfs/dbraw/zinc/53/62/24/1037536224.db2.gz HBOAWJORRFTOLK-OAHLLOKOSA-N 1 2 332.513 3.924 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccsc1 ZINC000669937623 1037623817 /nfs/dbraw/zinc/62/38/17/1037623817.db2.gz NEBUQKBUMDXRQD-RYUDHWBXSA-N 1 2 340.456 3.671 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387473 1037647681 /nfs/dbraw/zinc/64/76/81/1037647681.db2.gz GRNFZTQFELPYGP-SJKOYZFVSA-N 1 2 345.418 3.593 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000058207475 1037654313 /nfs/dbraw/zinc/65/43/13/1037654313.db2.gz IRKCLBGCYWPMKR-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000058207475 1037654321 /nfs/dbraw/zinc/65/43/21/1037654321.db2.gz IRKCLBGCYWPMKR-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000028621772 1037675324 /nfs/dbraw/zinc/67/53/24/1037675324.db2.gz CUYDJTKUCWNZQB-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000463039911 1037680398 /nfs/dbraw/zinc/68/03/98/1037680398.db2.gz UFBKNIKCPYINJR-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000111311753 1037732470 /nfs/dbraw/zinc/73/24/70/1037732470.db2.gz AGZWJNCBAZALBI-GFCCVEGCSA-N 1 2 330.413 3.604 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000111311753 1037732493 /nfs/dbraw/zinc/73/24/93/1037732493.db2.gz AGZWJNCBAZALBI-GFCCVEGCSA-N 1 2 330.413 3.604 20 0 EHADLO [NH3+]C1(c2noc(-c3cc(-c4ccccc4Cl)n[nH]3)n2)CCCCC1 ZINC000573793603 1037747330 /nfs/dbraw/zinc/74/73/30/1037747330.db2.gz BBXJHSFELJVIMW-UHFFFAOYSA-N 1 2 343.818 3.898 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2cncc(C(F)(F)F)c2)CCCCC1 ZINC000463114258 1037767759 /nfs/dbraw/zinc/76/77/59/1037767759.db2.gz DWUBVIIFXAQOPG-UHFFFAOYSA-N 1 2 344.377 3.798 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2cncc(C(F)(F)F)c2)CCCCC1 ZINC000463114258 1037767765 /nfs/dbraw/zinc/76/77/65/1037767765.db2.gz DWUBVIIFXAQOPG-UHFFFAOYSA-N 1 2 344.377 3.798 20 0 EHADLO CC(C)CC1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000760921106 1037793180 /nfs/dbraw/zinc/79/31/80/1037793180.db2.gz OIWLSYQIQATNNX-UHFFFAOYSA-N 1 2 345.455 3.941 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000152535515 1037853283 /nfs/dbraw/zinc/85/32/83/1037853283.db2.gz VFGRFDNIUVQFQD-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000152535515 1037853296 /nfs/dbraw/zinc/85/32/96/1037853296.db2.gz VFGRFDNIUVQFQD-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000117748869 1037860904 /nfs/dbraw/zinc/86/09/04/1037860904.db2.gz DYOZDAJQQMPCBV-FQEVSTJZSA-N 1 2 331.419 3.720 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119384136 1037897434 /nfs/dbraw/zinc/89/74/34/1037897434.db2.gz YCLIWOVCPSYVAR-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000119345670 1037899119 /nfs/dbraw/zinc/89/91/19/1037899119.db2.gz RLPWVABAEOTUEP-SFHVURJKSA-N 1 2 347.462 3.597 20 0 EHADLO O=C(/C=C/C1CCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000492052586 1037908283 /nfs/dbraw/zinc/90/82/83/1037908283.db2.gz VORHUAGZXBIMDS-MDZDMXLPSA-N 1 2 349.438 3.618 20 0 EHADLO Cc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000492055152 1037920029 /nfs/dbraw/zinc/92/00/29/1037920029.db2.gz BRFYRYIGURKCNY-PLNGDYQASA-N 1 2 329.831 3.791 20 0 EHADLO Cc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000492055152 1037920047 /nfs/dbraw/zinc/92/00/47/1037920047.db2.gz BRFYRYIGURKCNY-PLNGDYQASA-N 1 2 329.831 3.791 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001168244621 1037967658 /nfs/dbraw/zinc/96/76/58/1037967658.db2.gz QTYOHSPETVGKFP-HNNXBMFYSA-N 1 2 331.456 3.905 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001168244621 1037967677 /nfs/dbraw/zinc/96/76/77/1037967677.db2.gz QTYOHSPETVGKFP-HNNXBMFYSA-N 1 2 331.456 3.905 20 0 EHADLO CCC[N@H+](Cc1nc(C)c(C)s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000173207009 1037977490 /nfs/dbraw/zinc/97/74/90/1037977490.db2.gz ITQBCYSPYBVQEP-AWEZNQCLSA-N 1 2 331.485 3.999 20 0 EHADLO CCC[N@@H+](Cc1nc(C)c(C)s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000173207009 1037977498 /nfs/dbraw/zinc/97/74/98/1037977498.db2.gz ITQBCYSPYBVQEP-AWEZNQCLSA-N 1 2 331.485 3.999 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccccc3s2)n1 ZINC000184151266 1038009527 /nfs/dbraw/zinc/00/95/27/1038009527.db2.gz WFENJMONNHFMEZ-WDEREUQCSA-N 1 2 346.481 3.739 20 0 EHADLO COc1ccc2cc(NCc3ccc(OC4COC4)cc3)[nH+]cc2c1 ZINC001168462373 1038017366 /nfs/dbraw/zinc/01/73/66/1038017366.db2.gz NHCRLDIZEOAHBM-UHFFFAOYSA-N 1 2 336.391 3.633 20 0 EHADLO Cc1cccc(CSCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123533305 1038035320 /nfs/dbraw/zinc/03/53/20/1038035320.db2.gz GTCDFBVNPLUIMJ-AEFFLSMTSA-N 1 2 343.496 3.534 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000492146565 1038036946 /nfs/dbraw/zinc/03/69/46/1038036946.db2.gz TUIFRLFCOUGFHV-DETOXJSWSA-N 1 2 329.831 3.659 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)cs1 ZINC000123932670 1038107013 /nfs/dbraw/zinc/10/70/13/1038107013.db2.gz YHFZFVYFQXEIKE-UHFFFAOYSA-N 1 2 345.443 3.655 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@@H]1Cc2ccc(OC)cc2C1)C(=O)OC(C)(C)C ZINC001168248708 1038110237 /nfs/dbraw/zinc/11/02/37/1038110237.db2.gz ONSWFWVZFDDMSX-XCRHUMRWSA-N 1 2 333.472 3.508 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000124193317 1038149659 /nfs/dbraw/zinc/14/96/59/1038149659.db2.gz RBAHTOSXJMLZFN-YTQUADARSA-N 1 2 325.456 3.877 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000124193719 1038150243 /nfs/dbraw/zinc/15/02/43/1038150243.db2.gz RBAHTOSXJMLZFN-NZSAHSFTSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1ccc(CSCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124387776 1038177693 /nfs/dbraw/zinc/17/76/93/1038177693.db2.gz YLKIQLUMOMUOMS-SJLPKXTDSA-N 1 2 343.496 3.534 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000124998042 1038261876 /nfs/dbraw/zinc/26/18/76/1038261876.db2.gz CCNYYGSMLDEXDK-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO Cc1ccc2cccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2n1 ZINC000125248740 1038298086 /nfs/dbraw/zinc/29/80/86/1038298086.db2.gz YTPSOLXMAUZMKG-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043358256 1038311382 /nfs/dbraw/zinc/31/13/82/1038311382.db2.gz VFQRLURSXFFVLY-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CCC(C)(C)c1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000378267167 1038338779 /nfs/dbraw/zinc/33/87/79/1038338779.db2.gz UAGUBXZSRCEIDT-INIZCTEOSA-N 1 2 325.456 3.737 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000378272243 1038357470 /nfs/dbraw/zinc/35/74/70/1038357470.db2.gz XIVYGUOUUPYYNG-IBGZPJMESA-N 1 2 331.419 3.717 20 0 EHADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)COc1ccc(Cl)cc1Cl ZINC000398084320 1038415254 /nfs/dbraw/zinc/41/52/54/1038415254.db2.gz SVUXYLNHFKVNIW-GXFFZTMASA-N 1 2 340.197 3.511 20 0 EHADLO CCCCC[C@H](CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000181455948 1038416152 /nfs/dbraw/zinc/41/61/52/1038416152.db2.gz QODNDXIGGNNUCW-INIZCTEOSA-N 1 2 333.476 3.772 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ncc(Cl)cc1Cl ZINC000538615597 1038426164 /nfs/dbraw/zinc/42/61/64/1038426164.db2.gz QDZCYJRCYRPQNE-UHFFFAOYSA-N 1 2 333.259 3.942 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ncc(Cl)cc1Cl ZINC000538615597 1038426166 /nfs/dbraw/zinc/42/61/66/1038426166.db2.gz QDZCYJRCYRPQNE-UHFFFAOYSA-N 1 2 333.259 3.942 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cn(C)c3ccccc23)c(C)[nH+]1 ZINC000667119401 1038457528 /nfs/dbraw/zinc/45/75/28/1038457528.db2.gz RWXHQGZHHKZAGX-UHFFFAOYSA-N 1 2 336.439 3.863 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)cn1 ZINC000538727438 1038494773 /nfs/dbraw/zinc/49/47/73/1038494773.db2.gz QTTCCWGYULPMIQ-UHFFFAOYSA-N 1 2 326.469 3.967 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)cn1 ZINC000538727438 1038494777 /nfs/dbraw/zinc/49/47/77/1038494777.db2.gz QTTCCWGYULPMIQ-UHFFFAOYSA-N 1 2 326.469 3.967 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732692 1038497468 /nfs/dbraw/zinc/49/74/68/1038497468.db2.gz IZZHSQDCGFHLHP-JQWIXIFHSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732692 1038497474 /nfs/dbraw/zinc/49/74/74/1038497474.db2.gz IZZHSQDCGFHLHP-JQWIXIFHSA-N 1 2 328.161 3.881 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)s1 ZINC000538725556 1038506161 /nfs/dbraw/zinc/50/61/61/1038506161.db2.gz DUBYARJHDBZGNS-ZBFHGGJFSA-N 1 2 336.501 3.649 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)s1 ZINC000538725556 1038506169 /nfs/dbraw/zinc/50/61/69/1038506169.db2.gz DUBYARJHDBZGNS-ZBFHGGJFSA-N 1 2 336.501 3.649 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956956 1038615189 /nfs/dbraw/zinc/61/51/89/1038615189.db2.gz FJGLAJCDMNHQCZ-CHWSQXEVSA-N 1 2 339.277 3.959 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956956 1038615191 /nfs/dbraw/zinc/61/51/91/1038615191.db2.gz FJGLAJCDMNHQCZ-CHWSQXEVSA-N 1 2 339.277 3.959 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000431873039 1038651539 /nfs/dbraw/zinc/65/15/39/1038651539.db2.gz RKAJDSCBGYCMMQ-KOMQPUFPSA-N 1 2 344.434 3.779 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ccn(C)n2)c(OCCC)c1 ZINC000539063911 1038662693 /nfs/dbraw/zinc/66/26/93/1038662693.db2.gz ZKXSNHKEFWPQGG-HNNXBMFYSA-N 1 2 331.460 3.849 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000042132775 1038669791 /nfs/dbraw/zinc/66/97/91/1038669791.db2.gz MSYKNHAQDPNBCE-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(Br)cc1F ZINC000042132775 1038669795 /nfs/dbraw/zinc/66/97/95/1038669795.db2.gz MSYKNHAQDPNBCE-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648382995 1038670969 /nfs/dbraw/zinc/67/09/69/1038670969.db2.gz FJGGRZSGOGIXQU-SOLBZPMBSA-N 1 2 343.515 3.998 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000660002009 1038672609 /nfs/dbraw/zinc/67/26/09/1038672609.db2.gz AMQWUBUVCCCNIS-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000660002009 1038672615 /nfs/dbraw/zinc/67/26/15/1038672615.db2.gz AMQWUBUVCCCNIS-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccsc2)O1 ZINC000660004126 1038678606 /nfs/dbraw/zinc/67/86/06/1038678606.db2.gz XSDQZWKXFJWHNN-ACJLOTCBSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccsc2)O1 ZINC000660004126 1038678611 /nfs/dbraw/zinc/67/86/11/1038678611.db2.gz XSDQZWKXFJWHNN-ACJLOTCBSA-N 1 2 325.437 3.653 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539095177 1038681627 /nfs/dbraw/zinc/68/16/27/1038681627.db2.gz NNLMEKLJZALVQG-HZPDHXFCSA-N 1 2 341.858 3.570 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539095177 1038681632 /nfs/dbraw/zinc/68/16/32/1038681632.db2.gz NNLMEKLJZALVQG-HZPDHXFCSA-N 1 2 341.858 3.570 20 0 EHADLO CCCc1nsc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000461968581 1038704199 /nfs/dbraw/zinc/70/41/99/1038704199.db2.gz AGEYRWOPBDTYHD-CYBMUJFWSA-N 1 2 334.464 3.513 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000339180578 1038728355 /nfs/dbraw/zinc/72/83/55/1038728355.db2.gz DXHMWLMPAFFBOU-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000539225207 1038738932 /nfs/dbraw/zinc/73/89/32/1038738932.db2.gz GQIDKDHGDLZRJA-OLZOCXBDSA-N 1 2 348.393 3.960 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)n2)ccc1OC1CCCC1 ZINC000924688856 1038742959 /nfs/dbraw/zinc/74/29/59/1038742959.db2.gz OVVMHTHYVCMZKS-ZIAGYGMSSA-N 1 2 344.459 3.557 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1c(F)cccc1F ZINC000539233815 1038744054 /nfs/dbraw/zinc/74/40/54/1038744054.db2.gz NSGPUQNRVVDPSB-CQSZACIVSA-N 1 2 344.405 3.811 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000552035910 1038794409 /nfs/dbraw/zinc/79/44/09/1038794409.db2.gz NWJVOAOJOPISIZ-HDJSIYSDSA-N 1 2 331.366 3.513 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nc1 ZINC000431890885 1038832351 /nfs/dbraw/zinc/83/23/51/1038832351.db2.gz UNXSSQFVSHSSLK-UHFFFAOYSA-N 1 2 336.395 3.697 20 0 EHADLO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582066078 1038856982 /nfs/dbraw/zinc/85/69/82/1038856982.db2.gz OLBLWEPLJZUEHI-RDJZCZTQSA-N 1 2 341.455 3.704 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)C[C@@](C)(C(F)F)O1 ZINC000668822465 1038867941 /nfs/dbraw/zinc/86/79/41/1038867941.db2.gz WIDTVRSBZZMHBF-VFZGTOFNSA-N 1 2 330.762 3.726 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)C[C@@](C)(C(F)F)O1 ZINC000668822465 1038867965 /nfs/dbraw/zinc/86/79/65/1038867965.db2.gz WIDTVRSBZZMHBF-VFZGTOFNSA-N 1 2 330.762 3.726 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1csc(-c2ccn(C)n2)n1 ZINC000905419093 1038875465 /nfs/dbraw/zinc/87/54/65/1038875465.db2.gz KNSFCXUNJURYNA-UHFFFAOYSA-N 1 2 345.497 3.804 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2CCC(C3CC3)CC2)c1C ZINC000667576068 1038891345 /nfs/dbraw/zinc/89/13/45/1038891345.db2.gz CCIIJNXDCXXZLL-UHFFFAOYSA-N 1 2 330.472 3.882 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c(F)cccc1F ZINC000552035293 1038902401 /nfs/dbraw/zinc/90/24/01/1038902401.db2.gz SGDAYNIJVAFKBY-JOCQHMNTSA-N 1 2 331.366 3.513 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCC[C@@]2(C1)Nc1cc(Cl)ccc1C(=O)N2C ZINC000570025697 1038917812 /nfs/dbraw/zinc/91/78/12/1038917812.db2.gz AIOQOURWPDNQIV-KPZWWZAWSA-N 1 2 344.846 3.625 20 0 EHADLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C2CC2)cc1 ZINC000416734781 1038958412 /nfs/dbraw/zinc/95/84/12/1038958412.db2.gz OEJOLHPELZGLIV-HNNXBMFYSA-N 1 2 326.444 3.553 20 0 EHADLO Cc1cccn2c(CN3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)c[nH+]c12 ZINC000552111357 1038970774 /nfs/dbraw/zinc/97/07/74/1038970774.db2.gz ZFOBJRFIACVXPU-MRXNPFEDSA-N 1 2 341.377 3.575 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000155519495 1038982173 /nfs/dbraw/zinc/98/21/73/1038982173.db2.gz FIWCLUVOAQVZKD-KBPBESRZSA-N 1 2 328.843 3.922 20 0 EHADLO c1nn2c(c1C[N@@H+]1CCCC[C@@H]1c1nc(-c3ccccc3)no1)CCC2 ZINC000667589050 1039004609 /nfs/dbraw/zinc/00/46/09/1039004609.db2.gz NCJCVZGFKBHWEW-GOSISDBHSA-N 1 2 349.438 3.607 20 0 EHADLO c1nn2c(c1C[N@H+]1CCCC[C@@H]1c1nc(-c3ccccc3)no1)CCC2 ZINC000667589050 1039004623 /nfs/dbraw/zinc/00/46/23/1039004623.db2.gz NCJCVZGFKBHWEW-GOSISDBHSA-N 1 2 349.438 3.607 20 0 EHADLO Oc1cccc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)c1 ZINC000432747729 1039017859 /nfs/dbraw/zinc/01/78/59/1039017859.db2.gz LJOYDKYTCNHRBA-UHFFFAOYSA-N 1 2 342.386 3.795 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OCC(C)C ZINC000552147240 1039026661 /nfs/dbraw/zinc/02/66/61/1039026661.db2.gz UYUSUIJBYGMDDS-LEWJYISDSA-N 1 2 345.483 3.873 20 0 EHADLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OCC(C)C ZINC000552147240 1039026679 /nfs/dbraw/zinc/02/66/79/1039026679.db2.gz UYUSUIJBYGMDDS-LEWJYISDSA-N 1 2 345.483 3.873 20 0 EHADLO FC(F)(F)c1cnc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000432749839 1039038536 /nfs/dbraw/zinc/03/85/36/1039038536.db2.gz JGSGNSHYIGHAPJ-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000660096486 1039069217 /nfs/dbraw/zinc/06/92/17/1039069217.db2.gz VLXXMISOUXEKBN-HXUWFJFHSA-N 1 2 343.434 3.854 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660096486 1039069231 /nfs/dbraw/zinc/06/92/31/1039069231.db2.gz VLXXMISOUXEKBN-HXUWFJFHSA-N 1 2 343.434 3.854 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000910816317 1039091964 /nfs/dbraw/zinc/09/19/64/1039091964.db2.gz AGGLFKSXUVJISN-NSHDSACASA-N 1 2 325.334 3.660 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000910816317 1039091983 /nfs/dbraw/zinc/09/19/83/1039091983.db2.gz AGGLFKSXUVJISN-NSHDSACASA-N 1 2 325.334 3.660 20 0 EHADLO CCc1oc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1C ZINC000552229347 1039095878 /nfs/dbraw/zinc/09/58/78/1039095878.db2.gz AUNFVBDDZYKVPI-SHTZXODSSA-N 1 2 327.428 3.699 20 0 EHADLO C[C@@H]1CCN(c2ncc(F)c(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000418906737 1039108914 /nfs/dbraw/zinc/10/89/14/1039108914.db2.gz QYBSSFYLZOCKLV-DOMZBBRYSA-N 1 2 343.431 3.628 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000552245948 1039109597 /nfs/dbraw/zinc/10/95/97/1039109597.db2.gz BJKSSPSXIPMENE-GFCCVEGCSA-N 1 2 341.436 3.637 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](C)Oc1ccccc1F ZINC000478016705 1039122444 /nfs/dbraw/zinc/12/24/44/1039122444.db2.gz LROXJACAOJMZNH-ZDUSSCGKSA-N 1 2 339.370 3.930 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000480088290 1039135187 /nfs/dbraw/zinc/13/51/87/1039135187.db2.gz SNMOZMWMROILAR-LSDHHAIUSA-N 1 2 336.439 3.996 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)cs1 ZINC000760625904 1039143327 /nfs/dbraw/zinc/14/33/27/1039143327.db2.gz IBDZWENYSHIFJB-UHFFFAOYSA-N 1 2 325.865 3.713 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)c2cccc(C)c2)o1 ZINC000905915735 1039180862 /nfs/dbraw/zinc/18/08/62/1039180862.db2.gz WBUWWOPYIIULER-UXHICEINSA-N 1 2 349.434 3.519 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H](O)c2cccc(C)c2)o1 ZINC000905915735 1039180869 /nfs/dbraw/zinc/18/08/69/1039180869.db2.gz WBUWWOPYIIULER-UXHICEINSA-N 1 2 349.434 3.519 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488462064 1039203375 /nfs/dbraw/zinc/20/33/75/1039203375.db2.gz QPTJSZXOTXPNGS-UHFFFAOYSA-N 1 2 340.398 3.525 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488462064 1039203390 /nfs/dbraw/zinc/20/33/90/1039203390.db2.gz QPTJSZXOTXPNGS-UHFFFAOYSA-N 1 2 340.398 3.525 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000552336798 1039208333 /nfs/dbraw/zinc/20/83/33/1039208333.db2.gz KBHCAXKYSDKVIU-CWRNSKLLSA-N 1 2 332.394 3.964 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)n2c1 ZINC000552357654 1039240358 /nfs/dbraw/zinc/24/03/58/1039240358.db2.gz LDXXJEVVFVDYSD-MRXNPFEDSA-N 1 2 341.377 3.575 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2nc(C(C)C)n3ccccc23)C1 ZINC000668515793 1039244502 /nfs/dbraw/zinc/24/45/02/1039244502.db2.gz ZBBFDPFZLCDWND-UHFFFAOYSA-N 1 2 327.472 3.706 20 0 EHADLO Cc1cc(OCc2nc(CC(F)(F)F)no2)c2cccc(C)c2[nH+]1 ZINC000545474838 1039274979 /nfs/dbraw/zinc/27/49/79/1039274979.db2.gz RNSGNBBOSMTYQC-UHFFFAOYSA-N 1 2 337.301 3.918 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595956 1039319938 /nfs/dbraw/zinc/31/99/38/1039319938.db2.gz RDNIBHTWKDWPHD-FZKQIMNGSA-N 1 2 332.875 3.876 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595956 1039319956 /nfs/dbraw/zinc/31/99/56/1039319956.db2.gz RDNIBHTWKDWPHD-FZKQIMNGSA-N 1 2 332.875 3.876 20 0 EHADLO Cc1ccc2ncc(CNc3ccccc3C[NH+]3CCOCC3)cc2c1 ZINC000417015080 1039321649 /nfs/dbraw/zinc/32/16/49/1039321649.db2.gz LYSICALNCFTNFL-UHFFFAOYSA-N 1 2 347.462 3.988 20 0 EHADLO c1cn(-c2ccc(Cc3nc(-c4coc(C5CCC5)n4)no3)cc2)c[nH+]1 ZINC000906140470 1039339233 /nfs/dbraw/zinc/33/92/33/1039339233.db2.gz ZNXOGLKUXBDHCE-UHFFFAOYSA-N 1 2 347.378 3.769 20 0 EHADLO Cc1ncc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)s1 ZINC000552529463 1039352367 /nfs/dbraw/zinc/35/23/67/1039352367.db2.gz MKARTJUURGGHKO-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CCCOc1cccc2c(NCc3ccc(C(=O)NC)cc3)cc[nH+]c12 ZINC000478279873 1039355203 /nfs/dbraw/zinc/35/52/03/1039355203.db2.gz RRBSXQNZTBEFHU-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000567311418 1039372449 /nfs/dbraw/zinc/37/24/49/1039372449.db2.gz BUWMZUSTAALUNK-QGZUEGPWSA-N 1 2 343.421 3.752 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000567311417 1039373343 /nfs/dbraw/zinc/37/33/43/1039373343.db2.gz BUWMZUSTAALUNK-QDLOVBKTSA-N 1 2 343.421 3.752 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)o1 ZINC000237568002 1039388429 /nfs/dbraw/zinc/38/84/29/1039388429.db2.gz OPDNBTQBBGJIQN-ZDUSSCGKSA-N 1 2 340.402 3.783 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCO1 ZINC000906198569 1039405119 /nfs/dbraw/zinc/40/51/19/1039405119.db2.gz CTVHNRWGORTHAU-KBXCAEBGSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000552650355 1039420117 /nfs/dbraw/zinc/42/01/17/1039420117.db2.gz XRDMSISZQXDODE-MRXNPFEDSA-N 1 2 345.487 3.782 20 0 EHADLO Cc1cnc(C2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)s1 ZINC000432850222 1039533633 /nfs/dbraw/zinc/53/36/33/1039533633.db2.gz IYMCFKKUDSXZIY-UHFFFAOYSA-N 1 2 328.485 3.813 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000667672855 1039538541 /nfs/dbraw/zinc/53/85/41/1039538541.db2.gz JGZBSLXEKCILPZ-UTKZUKDTSA-N 1 2 341.451 3.674 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000667672855 1039538556 /nfs/dbraw/zinc/53/85/56/1039538556.db2.gz JGZBSLXEKCILPZ-UTKZUKDTSA-N 1 2 341.451 3.674 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000051710100 1039577785 /nfs/dbraw/zinc/57/77/85/1039577785.db2.gz WSDJEEIPDVHOJF-UHFFFAOYSA-N 1 2 344.405 3.588 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000051710100 1039577802 /nfs/dbraw/zinc/57/78/02/1039577802.db2.gz WSDJEEIPDVHOJF-UHFFFAOYSA-N 1 2 344.405 3.588 20 0 EHADLO CC(C)(C)OC1CC(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000489079450 1039609807 /nfs/dbraw/zinc/60/98/07/1039609807.db2.gz QEQVWVNWPLGIDM-UHFFFAOYSA-N 1 2 345.418 3.934 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001142595210 1039621628 /nfs/dbraw/zinc/62/16/28/1039621628.db2.gz PPZAGNHUWYBUMM-QGZVFWFLSA-N 1 2 347.455 3.560 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001142595210 1039621638 /nfs/dbraw/zinc/62/16/38/1039621638.db2.gz PPZAGNHUWYBUMM-QGZVFWFLSA-N 1 2 347.455 3.560 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000339719876 1039623598 /nfs/dbraw/zinc/62/35/98/1039623598.db2.gz WBRQRCKBZAWJSP-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2ccc(N(C)C)c(F)c2)no1)n1cc[nH+]c1 ZINC000923928279 1039646931 /nfs/dbraw/zinc/64/69/31/1039646931.db2.gz UGMUEGBIZOFTDV-INIZCTEOSA-N 1 2 343.406 3.774 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906591988 1039647854 /nfs/dbraw/zinc/64/78/54/1039647854.db2.gz NTZLIAXYTFBMGD-XYPHTWIQSA-N 1 2 347.434 3.930 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906591988 1039647862 /nfs/dbraw/zinc/64/78/62/1039647862.db2.gz NTZLIAXYTFBMGD-XYPHTWIQSA-N 1 2 347.434 3.930 20 0 EHADLO CSc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ccc1Cl ZINC000417298087 1039654988 /nfs/dbraw/zinc/65/49/88/1039654988.db2.gz UHJPURSGIBIVOG-UHFFFAOYSA-N 1 2 338.864 3.812 20 0 EHADLO CC(C)(C)c1ccc(C2(NC(=O)Cn3cc[nH+]c3)CCCC2)cc1 ZINC000554744745 1039662500 /nfs/dbraw/zinc/66/25/00/1039662500.db2.gz QEJIPODVWCZPCG-UHFFFAOYSA-N 1 2 325.456 3.766 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901513 1039678687 /nfs/dbraw/zinc/67/86/87/1039678687.db2.gz JEOHIPBVRALCMH-LBPRGKRZSA-N 1 2 337.876 3.569 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)n1cc[nH+]c1 ZINC000898902966 1039680673 /nfs/dbraw/zinc/68/06/73/1039680673.db2.gz XQWXRAKHTNGCCL-RBUKOAKNSA-N 1 2 333.435 3.691 20 0 EHADLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000898903841 1039691070 /nfs/dbraw/zinc/69/10/70/1039691070.db2.gz KYZMNGXDMBFMNC-NSHDSACASA-N 1 2 340.254 3.845 20 0 EHADLO CC(C)(CNC(=O)CC1(CSc2ccccc2)CC1)n1cc[nH+]c1 ZINC000898906755 1039694705 /nfs/dbraw/zinc/69/47/05/1039694705.db2.gz OPCVCCPHTIJQNX-UHFFFAOYSA-N 1 2 343.496 3.697 20 0 EHADLO Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906324 1039695526 /nfs/dbraw/zinc/69/55/26/1039695526.db2.gz LWEKTJBTLFOLMG-UHFFFAOYSA-N 1 2 343.324 3.515 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364102998 1039753467 /nfs/dbraw/zinc/75/34/67/1039753467.db2.gz PTHDBEVFBNYHCX-APWZRJJASA-N 1 2 348.450 3.833 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364102998 1039753491 /nfs/dbraw/zinc/75/34/91/1039753491.db2.gz PTHDBEVFBNYHCX-APWZRJJASA-N 1 2 348.450 3.833 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000553090923 1039754988 /nfs/dbraw/zinc/75/49/88/1039754988.db2.gz DTMZFYBNYUKNQT-YJBOKZPZSA-N 1 2 330.447 3.611 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667409765 1039776061 /nfs/dbraw/zinc/77/60/61/1039776061.db2.gz GIYKCZWLEJOWKY-NSHDSACASA-N 1 2 334.420 3.682 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1cccc(F)c1 ZINC000554846376 1039803424 /nfs/dbraw/zinc/80/34/24/1039803424.db2.gz USHUUVJKMAOQIS-AWEZNQCLSA-N 1 2 344.352 3.819 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1cccc(F)c1 ZINC000554846376 1039803448 /nfs/dbraw/zinc/80/34/48/1039803448.db2.gz USHUUVJKMAOQIS-AWEZNQCLSA-N 1 2 344.352 3.819 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)CS1 ZINC000554867958 1039856181 /nfs/dbraw/zinc/85/61/81/1039856181.db2.gz XAPZPQGMCQVNLT-IMJJTQAJSA-N 1 2 331.485 3.841 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000486127120 1039909685 /nfs/dbraw/zinc/90/96/85/1039909685.db2.gz XYWXIZIOVBSTKP-UHFFFAOYSA-N 1 2 346.805 3.573 20 0 EHADLO Cc1n[nH]c(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)c1C ZINC000893975420 1039910261 /nfs/dbraw/zinc/91/02/61/1039910261.db2.gz AGFXJONPZXYVQB-UHFFFAOYSA-N 1 2 337.471 3.770 20 0 EHADLO Cc1n[nH]c(C[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)c1C ZINC000893975420 1039910271 /nfs/dbraw/zinc/91/02/71/1039910271.db2.gz AGFXJONPZXYVQB-UHFFFAOYSA-N 1 2 337.471 3.770 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990827 1039926180 /nfs/dbraw/zinc/92/61/80/1039926180.db2.gz JUXAKSHQGPJRHN-FQEVSTJZSA-N 1 2 348.450 3.881 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479105629 1039971144 /nfs/dbraw/zinc/97/11/44/1039971144.db2.gz NTDZXERJXUWJFH-CZUORRHYSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479105629 1039971163 /nfs/dbraw/zinc/97/11/63/1039971163.db2.gz NTDZXERJXUWJFH-CZUORRHYSA-N 1 2 330.378 3.609 20 0 EHADLO CC[N@H+](CCOCCOc1ccccc1)Cc1c(F)cccc1F ZINC000110299968 1039976280 /nfs/dbraw/zinc/97/62/80/1039976280.db2.gz OJJOQTHNPXIKEY-UHFFFAOYSA-N 1 2 335.394 3.882 20 0 EHADLO CC[N@@H+](CCOCCOc1ccccc1)Cc1c(F)cccc1F ZINC000110299968 1039976292 /nfs/dbraw/zinc/97/62/92/1039976292.db2.gz OJJOQTHNPXIKEY-UHFFFAOYSA-N 1 2 335.394 3.882 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)cc12 ZINC000894041387 1040002406 /nfs/dbraw/zinc/00/24/06/1040002406.db2.gz FHXADVGNCXKLRL-KUHUBIRLSA-N 1 2 337.423 3.802 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)cc12 ZINC000894041387 1040002427 /nfs/dbraw/zinc/00/24/27/1040002427.db2.gz FHXADVGNCXKLRL-KUHUBIRLSA-N 1 2 337.423 3.802 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567504115 1040012332 /nfs/dbraw/zinc/01/23/32/1040012332.db2.gz BPAPAVRMKTWZQA-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000907358232 1040024728 /nfs/dbraw/zinc/02/47/28/1040024728.db2.gz GXZFQRASGWJCCG-ZWKOTPCHSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C)[C@H]3CC3(C)C)cs2)cc1 ZINC000489498017 1040026498 /nfs/dbraw/zinc/02/64/98/1040026498.db2.gz OBZAHWLGAJHUNY-INIZCTEOSA-N 1 2 343.496 3.863 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)[C@H]3CC3(C)C)cs2)cc1 ZINC000489498017 1040026513 /nfs/dbraw/zinc/02/65/13/1040026513.db2.gz OBZAHWLGAJHUNY-INIZCTEOSA-N 1 2 343.496 3.863 20 0 EHADLO CCc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000486382095 1040098376 /nfs/dbraw/zinc/09/83/76/1040098376.db2.gz ZBLQXFZUVIIPIP-UHFFFAOYSA-N 1 2 330.407 3.797 20 0 EHADLO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000479273767 1040104163 /nfs/dbraw/zinc/10/41/63/1040104163.db2.gz BQWLOCQRJVGRNS-RYUDHWBXSA-N 1 2 342.277 3.700 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(OC)ns1)c1nc(C(F)(F)F)cs1 ZINC000660255305 1040110187 /nfs/dbraw/zinc/11/01/87/1040110187.db2.gz AOVYBQGSEYYDHP-QMMMGPOBSA-N 1 2 337.392 3.868 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553531753 1040151693 /nfs/dbraw/zinc/15/16/93/1040151693.db2.gz DUHGCADPHFWBBR-KBPBESRZSA-N 1 2 346.500 3.553 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814804 1040182247 /nfs/dbraw/zinc/18/22/47/1040182247.db2.gz GVJJVYNDSZTOQM-OWCLPIDISA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814804 1040182254 /nfs/dbraw/zinc/18/22/54/1040182254.db2.gz GVJJVYNDSZTOQM-OWCLPIDISA-N 1 2 329.488 3.723 20 0 EHADLO C=C/C(C)=C/CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815731 1040182284 /nfs/dbraw/zinc/18/22/84/1040182284.db2.gz MPBVVIXRZHEKRA-IDJPSDCMSA-N 1 2 327.472 3.953 20 0 EHADLO C=C/C(C)=C/CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815731 1040182293 /nfs/dbraw/zinc/18/22/93/1040182293.db2.gz MPBVVIXRZHEKRA-IDJPSDCMSA-N 1 2 327.472 3.953 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)=C1CCC1 ZINC000907815746 1040184613 /nfs/dbraw/zinc/18/46/13/1040184613.db2.gz MXPUEGOLTIMOSY-CQSZACIVSA-N 1 2 331.435 3.838 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)=C1CCC1 ZINC000907815746 1040184624 /nfs/dbraw/zinc/18/46/24/1040184624.db2.gz MXPUEGOLTIMOSY-CQSZACIVSA-N 1 2 331.435 3.838 20 0 EHADLO c1cnn(Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)c1 ZINC000119667068 1040195900 /nfs/dbraw/zinc/19/59/00/1040195900.db2.gz FXCKGBHAWGVUTB-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO Cn1cc(Br)c(C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000432928125 1040199222 /nfs/dbraw/zinc/19/92/22/1040199222.db2.gz LHTVTSLFGJUWHW-UHFFFAOYSA-N 1 2 334.261 3.562 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+](C)C3(C)CCCC3)s2)cc1 ZINC000489847495 1040206703 /nfs/dbraw/zinc/20/67/03/1040206703.db2.gz RPGTYIXHHZMWMO-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+](C)C3(C)CCCC3)s2)cc1 ZINC000489847495 1040206713 /nfs/dbraw/zinc/20/67/13/1040206713.db2.gz RPGTYIXHHZMWMO-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000417824415 1040247111 /nfs/dbraw/zinc/24/71/11/1040247111.db2.gz LRPRGDMSIVHKJJ-HNNXBMFYSA-N 1 2 335.835 3.726 20 0 EHADLO CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000053376598 1040259955 /nfs/dbraw/zinc/25/99/55/1040259955.db2.gz OZQOFXNZZHCAQP-NSHDSACASA-N 1 2 339.823 3.697 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016360 1040266385 /nfs/dbraw/zinc/26/63/85/1040266385.db2.gz PVRWSCOZKPFPNG-CVEARBPZSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@@H]1CCCC[N@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016360 1040266398 /nfs/dbraw/zinc/26/63/98/1040266398.db2.gz PVRWSCOZKPFPNG-CVEARBPZSA-N 1 2 325.449 3.647 20 0 EHADLO CC1(C)CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000644965093 1040286953 /nfs/dbraw/zinc/28/69/53/1040286953.db2.gz XQSJSKXFVAXZSD-KRWDZBQOSA-N 1 2 339.439 3.783 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1CCCCC1 ZINC000490031322 1040297821 /nfs/dbraw/zinc/29/78/21/1040297821.db2.gz ICCBMCBWHQYTDH-NXEZZACHSA-N 1 2 349.422 3.650 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000645828532 1040327448 /nfs/dbraw/zinc/32/74/48/1040327448.db2.gz WPBGPKNFTZQRFR-IBGZPJMESA-N 1 2 344.503 3.979 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000667507786 1040332255 /nfs/dbraw/zinc/33/22/55/1040332255.db2.gz IZZQURHCUWQWNK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000667507786 1040332266 /nfs/dbraw/zinc/33/22/66/1040332266.db2.gz IZZQURHCUWQWNK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CCc1nocc1C[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000339245022 1040333326 /nfs/dbraw/zinc/33/33/26/1040333326.db2.gz FDYNQRGAVZGLSM-UHFFFAOYSA-N 1 2 327.359 3.853 20 0 EHADLO CCn1c[nH+]cc1CNc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000417971432 1040394732 /nfs/dbraw/zinc/39/47/32/1040394732.db2.gz RXBNMDUKYQXRAW-UHFFFAOYSA-N 1 2 349.360 3.779 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000319194286 1040414684 /nfs/dbraw/zinc/41/46/84/1040414684.db2.gz PLHMORZYQUFYGR-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000319194286 1040414696 /nfs/dbraw/zinc/41/46/96/1040414696.db2.gz PLHMORZYQUFYGR-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000479604305 1040422012 /nfs/dbraw/zinc/42/20/12/1040422012.db2.gz MRRPLEQTRLRQLZ-FCCDEINASA-N 1 2 332.492 3.690 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]3c3cc(C)on3)on2)cc1 ZINC000912889220 1040425758 /nfs/dbraw/zinc/42/57/58/1040425758.db2.gz CLMFEARAEFWNBZ-LJQANCHMSA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]3c3cc(C)on3)on2)cc1 ZINC000912889220 1040425767 /nfs/dbraw/zinc/42/57/67/1040425767.db2.gz CLMFEARAEFWNBZ-LJQANCHMSA-N 1 2 339.395 3.984 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@](=O)C1 ZINC000433019688 1040467285 /nfs/dbraw/zinc/46/72/85/1040467285.db2.gz KWWPPZQBXXUUOO-MZNJEOGPSA-N 1 2 349.540 3.846 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@](=O)C1 ZINC000433019688 1040467301 /nfs/dbraw/zinc/46/73/01/1040467301.db2.gz KWWPPZQBXXUUOO-MZNJEOGPSA-N 1 2 349.540 3.846 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)[nH]1 ZINC000486803578 1040472627 /nfs/dbraw/zinc/47/26/27/1040472627.db2.gz ZVSSYODEJSNEGO-STQMWFEESA-N 1 2 330.480 3.950 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000486833615 1040482702 /nfs/dbraw/zinc/48/27/02/1040482702.db2.gz KZUDKZDLFVZZAW-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000433024869 1040487939 /nfs/dbraw/zinc/48/79/39/1040487939.db2.gz ZLRYHAZYTFPNBU-ZLOXQWCVSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000433024869 1040487946 /nfs/dbraw/zinc/48/79/46/1040487946.db2.gz ZLRYHAZYTFPNBU-ZLOXQWCVSA-N 1 2 335.444 3.595 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000663928359 1040493831 /nfs/dbraw/zinc/49/38/31/1040493831.db2.gz XAWMPOXGCTVPGG-JOCHJYFZSA-N 1 2 347.462 3.639 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000553832858 1040512156 /nfs/dbraw/zinc/51/21/56/1040512156.db2.gz UMFWSEPIFBLAKB-KRWDZBQOSA-N 1 2 329.444 3.786 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000553832858 1040512172 /nfs/dbraw/zinc/51/21/72/1040512172.db2.gz UMFWSEPIFBLAKB-KRWDZBQOSA-N 1 2 329.444 3.786 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cn(C2CCC2)nn1 ZINC000667533946 1040513815 /nfs/dbraw/zinc/51/38/15/1040513815.db2.gz GWHLPOXHGWCGFX-UHFFFAOYSA-N 1 2 334.851 3.557 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cn(C2CCC2)nn1 ZINC000667533946 1040513832 /nfs/dbraw/zinc/51/38/32/1040513832.db2.gz GWHLPOXHGWCGFX-UHFFFAOYSA-N 1 2 334.851 3.557 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCCC(F)(F)CC1 ZINC000912996362 1040523124 /nfs/dbraw/zinc/52/31/24/1040523124.db2.gz RKJALXBOABTDDP-UHFFFAOYSA-N 1 2 331.366 3.509 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@@]1=O ZINC000433039135 1040525573 /nfs/dbraw/zinc/52/55/73/1040525573.db2.gz KJHPCOKCXHQQID-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@@]1=O ZINC000433039135 1040525590 /nfs/dbraw/zinc/52/55/90/1040525590.db2.gz KJHPCOKCXHQQID-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000500129940 1040568023 /nfs/dbraw/zinc/56/80/23/1040568023.db2.gz PWLXRAWEXJBYGA-IINYFYTJSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000500129940 1040568037 /nfs/dbraw/zinc/56/80/37/1040568037.db2.gz PWLXRAWEXJBYGA-IINYFYTJSA-N 1 2 346.215 3.728 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247371897 1040570977 /nfs/dbraw/zinc/57/09/77/1040570977.db2.gz HSFGTKXNFWJQBC-BXWFABGCSA-N 1 2 341.455 3.784 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000418093066 1040572050 /nfs/dbraw/zinc/57/20/50/1040572050.db2.gz PPYPLCCZKIOQSD-UHFFFAOYSA-N 1 2 346.374 3.946 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1cccc(F)c1 ZINC000899515002 1040632722 /nfs/dbraw/zinc/63/27/22/1040632722.db2.gz BCPZRODZWNHJOG-UHFFFAOYSA-N 1 2 334.464 3.694 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccccc2)O1 ZINC000667557016 1040639377 /nfs/dbraw/zinc/63/93/77/1040639377.db2.gz LAZWKJRPURZELP-MGPUTAFESA-N 1 2 325.456 3.650 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccccc2)O1 ZINC000667557016 1040639387 /nfs/dbraw/zinc/63/93/87/1040639387.db2.gz LAZWKJRPURZELP-MGPUTAFESA-N 1 2 325.456 3.650 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000278830325 1040650267 /nfs/dbraw/zinc/65/02/67/1040650267.db2.gz JORHQWBATQZAGL-CYBMUJFWSA-N 1 2 341.386 3.659 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000364284611 1040683909 /nfs/dbraw/zinc/68/39/09/1040683909.db2.gz SSBYBJNDOQSGRV-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000481419615 1040882513 /nfs/dbraw/zinc/88/25/13/1040882513.db2.gz AUHFQVACJYIVEM-SAABIXHNSA-N 1 2 335.382 3.687 20 0 EHADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000123692713 1040925381 /nfs/dbraw/zinc/92/53/81/1040925381.db2.gz GOJFSYMJKHMNLZ-MRXNPFEDSA-N 1 2 346.377 3.597 20 0 EHADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000123692713 1040925401 /nfs/dbraw/zinc/92/54/01/1040925401.db2.gz GOJFSYMJKHMNLZ-MRXNPFEDSA-N 1 2 346.377 3.597 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(SC(F)(F)F)c1 ZINC000899660241 1040932493 /nfs/dbraw/zinc/93/24/93/1040932493.db2.gz LMUADCVNGBHTCD-JTQLQIEISA-N 1 2 343.374 3.832 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(SC(F)(F)F)c1 ZINC000899660241 1040932515 /nfs/dbraw/zinc/93/25/15/1040932515.db2.gz LMUADCVNGBHTCD-JTQLQIEISA-N 1 2 343.374 3.832 20 0 EHADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(SC(F)(F)F)c1 ZINC000899660196 1040932787 /nfs/dbraw/zinc/93/27/87/1040932787.db2.gz IVKOUAUSSMIOSM-JTQLQIEISA-N 1 2 343.374 3.832 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)NCCCOC ZINC000487556187 1040944431 /nfs/dbraw/zinc/94/44/31/1040944431.db2.gz HSNATEQRUBHOQB-HNNXBMFYSA-N 1 2 347.286 3.529 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)NCCCOC ZINC000487556187 1040944442 /nfs/dbraw/zinc/94/44/42/1040944442.db2.gz HSNATEQRUBHOQB-HNNXBMFYSA-N 1 2 347.286 3.529 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000586749923 1040997029 /nfs/dbraw/zinc/99/70/29/1040997029.db2.gz BPXLUIHFDLGMEW-UHFFFAOYSA-N 1 2 335.451 3.799 20 0 EHADLO COc1ccc(C2CCN(c3[nH+]ccc4c(N)cccc43)CC2)nc1 ZINC000664056936 1041018263 /nfs/dbraw/zinc/01/82/63/1041018263.db2.gz BWAZJBCQJFGJTB-UHFFFAOYSA-N 1 2 334.423 3.605 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1F ZINC000042364589 1041071162 /nfs/dbraw/zinc/07/11/62/1041071162.db2.gz YODCMNJCGIEKGY-UHFFFAOYSA-N 1 2 330.403 3.685 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1F ZINC000042364589 1041071185 /nfs/dbraw/zinc/07/11/85/1041071185.db2.gz YODCMNJCGIEKGY-UHFFFAOYSA-N 1 2 330.403 3.685 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000509810746 1041071972 /nfs/dbraw/zinc/07/19/72/1041071972.db2.gz XVGRROOMDXXTOQ-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000509810746 1041071989 /nfs/dbraw/zinc/07/19/89/1041071989.db2.gz XVGRROOMDXXTOQ-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NC(C)(C)C)CC1 ZINC000054926404 1041074251 /nfs/dbraw/zinc/07/42/51/1041074251.db2.gz STHKQAYGXHGOBD-CYBMUJFWSA-N 1 2 339.936 3.692 20 0 EHADLO CC(=O)Nc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cn1 ZINC000433209736 1041098753 /nfs/dbraw/zinc/09/87/53/1041098753.db2.gz RKSOEFCUAAFNSG-UHFFFAOYSA-N 1 2 344.465 3.515 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419296933 1041160360 /nfs/dbraw/zinc/16/03/60/1041160360.db2.gz YGDIPJZOPNWWJW-IFXJQAMLSA-N 1 2 344.455 3.661 20 0 EHADLO Cc1nsc(C)c1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000571009540 1041162914 /nfs/dbraw/zinc/16/29/14/1041162914.db2.gz YGVKWQBJNXORRW-KRWDZBQOSA-N 1 2 326.469 3.984 20 0 EHADLO Cc1nsc(C)c1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000571009540 1041162923 /nfs/dbraw/zinc/16/29/23/1041162923.db2.gz YGVKWQBJNXORRW-KRWDZBQOSA-N 1 2 326.469 3.984 20 0 EHADLO O[C@H](C[N@@H+]1CCc2c(F)ccc(F)c2C1)c1ccc(Cl)c(F)c1 ZINC000759856148 1041177117 /nfs/dbraw/zinc/17/71/17/1041177117.db2.gz WOKDNECCRAZGGI-QGZVFWFLSA-N 1 2 341.760 3.849 20 0 EHADLO O[C@H](C[N@H+]1CCc2c(F)ccc(F)c2C1)c1ccc(Cl)c(F)c1 ZINC000759856148 1041177123 /nfs/dbraw/zinc/17/71/23/1041177123.db2.gz WOKDNECCRAZGGI-QGZVFWFLSA-N 1 2 341.760 3.849 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279015 1041189450 /nfs/dbraw/zinc/18/94/50/1041189450.db2.gz NNVBXTKPUQTAPX-STQMWFEESA-N 1 2 340.172 3.980 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279015 1041189461 /nfs/dbraw/zinc/18/94/61/1041189461.db2.gz NNVBXTKPUQTAPX-STQMWFEESA-N 1 2 340.172 3.980 20 0 EHADLO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC(F)F ZINC000487989048 1041222958 /nfs/dbraw/zinc/22/29/58/1041222958.db2.gz OJUDDOLMNPZFHD-UHFFFAOYSA-N 1 2 349.219 3.753 20 0 EHADLO CC(C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC(F)F ZINC000487989048 1041222975 /nfs/dbraw/zinc/22/29/75/1041222975.db2.gz OJUDDOLMNPZFHD-UHFFFAOYSA-N 1 2 349.219 3.753 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3CCOC4(CCC4)C3)c12 ZINC000571136580 1041201086 /nfs/dbraw/zinc/20/10/86/1041201086.db2.gz XDMCSHZYJNSPKX-OAHLLOKOSA-N 1 2 349.438 3.577 20 0 EHADLO COc1c(Br)cccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000481689900 1041244773 /nfs/dbraw/zinc/24/47/73/1041244773.db2.gz FFZFXQIIBZKKSE-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO COc1c(Br)cccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000481689900 1041244787 /nfs/dbraw/zinc/24/47/87/1041244787.db2.gz FFZFXQIIBZKKSE-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO CCC(CC)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000667925395 1041245190 /nfs/dbraw/zinc/24/51/90/1041245190.db2.gz WOIFLUHZGXTWOY-AWEZNQCLSA-N 1 2 345.874 3.931 20 0 EHADLO CC[C@H](C[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC)CC(F)(F)F ZINC000419316421 1041283686 /nfs/dbraw/zinc/28/36/86/1041283686.db2.gz LJHLHVOIUJIPJX-DZGCQCFKSA-N 1 2 331.378 3.647 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1c[nH]c2ccccc21 ZINC000278836557 1041331505 /nfs/dbraw/zinc/33/15/05/1041331505.db2.gz ZGHKNJYZSYESPH-CQSZACIVSA-N 1 2 336.439 3.791 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc([C@@H](C)C4CC4)no3)CC2)cs1 ZINC000364456224 1041347068 /nfs/dbraw/zinc/34/70/68/1041347068.db2.gz SJFODPREGUPFII-NSHDSACASA-N 1 2 332.473 3.728 20 0 EHADLO CC(C)(COCc1ccccc1)[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000660464021 1041503764 /nfs/dbraw/zinc/50/37/64/1041503764.db2.gz HQXIKXKPOIPEEM-UHFFFAOYSA-N 1 2 345.390 3.642 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)O1 ZINC000660465003 1041505004 /nfs/dbraw/zinc/50/50/04/1041505004.db2.gz VAFUVUFJEMHYLF-OIISXLGYSA-N 1 2 327.428 3.539 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)O1 ZINC000660465003 1041505012 /nfs/dbraw/zinc/50/50/12/1041505012.db2.gz VAFUVUFJEMHYLF-OIISXLGYSA-N 1 2 327.428 3.539 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)o1 ZINC000660465003 1041505017 /nfs/dbraw/zinc/50/50/17/1041505017.db2.gz VAFUVUFJEMHYLF-OIISXLGYSA-N 1 2 327.428 3.539 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)o1 ZINC000660465003 1041505028 /nfs/dbraw/zinc/50/50/28/1041505028.db2.gz VAFUVUFJEMHYLF-OIISXLGYSA-N 1 2 327.428 3.539 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000111203254 1041534630 /nfs/dbraw/zinc/53/46/30/1041534630.db2.gz CJPTZPIJBANUKF-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000111203254 1041534638 /nfs/dbraw/zinc/53/46/38/1041534638.db2.gz CJPTZPIJBANUKF-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO C[C@H]1CC[C@@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000432084133 1041566000 /nfs/dbraw/zinc/56/60/00/1041566000.db2.gz CUFOTKSQCQDMKL-JKSUJKDBSA-N 1 2 342.443 3.520 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652097904 1041598527 /nfs/dbraw/zinc/59/85/27/1041598527.db2.gz YKEOVJZKWPLQSY-AQNXPRMDSA-N 1 2 349.478 3.557 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+](C)Cc2c(C)nc3sccn23)oc1C ZINC000292926546 1041603285 /nfs/dbraw/zinc/60/32/85/1041603285.db2.gz MDZIQQDPJLOTCI-LLVKDONJSA-N 1 2 347.440 3.585 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+](C)Cc2c(C)nc3sccn23)oc1C ZINC000292926546 1041603292 /nfs/dbraw/zinc/60/32/92/1041603292.db2.gz MDZIQQDPJLOTCI-LLVKDONJSA-N 1 2 347.440 3.585 20 0 EHADLO Brc1ccc2c(c1)[C@@H](N1CCn3c[nH+]cc3C1)CCC2 ZINC000660581371 1041702868 /nfs/dbraw/zinc/70/28/68/1041702868.db2.gz BWCCYBQWRWKDHQ-INIZCTEOSA-N 1 2 332.245 3.539 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=S)[nH]2)cc1 ZINC000026630168 1041721467 /nfs/dbraw/zinc/72/14/67/1041721467.db2.gz DNFQYGQXBMKXBS-GFCCVEGCSA-N 1 2 334.489 3.940 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=S)[nH]2)cc1 ZINC000026630168 1041721476 /nfs/dbraw/zinc/72/14/76/1041721476.db2.gz DNFQYGQXBMKXBS-GFCCVEGCSA-N 1 2 334.489 3.940 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=S)n2C)cc1 ZINC000026630066 1041722361 /nfs/dbraw/zinc/72/23/61/1041722361.db2.gz FVKMJEPUDRZXQT-ZDUSSCGKSA-N 1 2 348.516 3.951 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=S)n2C)cc1 ZINC000026630066 1041722366 /nfs/dbraw/zinc/72/23/66/1041722366.db2.gz FVKMJEPUDRZXQT-ZDUSSCGKSA-N 1 2 348.516 3.951 20 0 EHADLO C[C@@]12C[N@H+](Cc3ncsc3Br)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000660678374 1041770677 /nfs/dbraw/zinc/77/06/77/1041770677.db2.gz ZPCCKIXTTZXNFH-DEKYYXRVSA-N 1 2 325.275 3.550 20 0 EHADLO C[C@@]12C[N@@H+](Cc3ncsc3Br)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000660678374 1041770682 /nfs/dbraw/zinc/77/06/82/1041770682.db2.gz ZPCCKIXTTZXNFH-DEKYYXRVSA-N 1 2 325.275 3.550 20 0 EHADLO OCC1([C@H]([NH2+]Cc2n[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000651604425 1041778579 /nfs/dbraw/zinc/77/85/79/1041778579.db2.gz JZRVFQLOYLMMMX-HXUWFJFHSA-N 1 2 335.451 3.947 20 0 EHADLO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c(F)c1 ZINC000651611402 1041786872 /nfs/dbraw/zinc/78/68/72/1041786872.db2.gz WPLHGCWIBNVMOR-UHFFFAOYSA-N 1 2 343.398 3.635 20 0 EHADLO C[N@H+](CC[C@H]1CCc2ccccc21)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766165 1041812567 /nfs/dbraw/zinc/81/25/67/1041812567.db2.gz KJUCQLMDMVFTOK-YLJYHZDGSA-N 1 2 332.451 3.946 20 0 EHADLO C[N@@H+](CC[C@H]1CCc2ccccc21)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766165 1041812572 /nfs/dbraw/zinc/81/25/72/1041812572.db2.gz KJUCQLMDMVFTOK-YLJYHZDGSA-N 1 2 332.451 3.946 20 0 EHADLO Cc1cc(C)c(NC(=O)CNc2nc(C)[nH+]c3c2CCCC3)c(C)c1 ZINC000301585799 1041827739 /nfs/dbraw/zinc/82/77/39/1041827739.db2.gz VHMRYEZKSFUXTC-UHFFFAOYSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](COc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001126013754 1041888567 /nfs/dbraw/zinc/88/85/67/1041888567.db2.gz ZVZSKPRDPVIVHK-PXNSSMCTSA-N 1 2 349.434 3.771 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cn1 ZINC000164304718 1041963740 /nfs/dbraw/zinc/96/37/40/1041963740.db2.gz ZXJHURABSILAPC-QGZVFWFLSA-N 1 2 337.471 3.754 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2cccc(C)c2)nc1C)c1ccco1 ZINC000651729161 1041971745 /nfs/dbraw/zinc/97/17/45/1041971745.db2.gz YAFFBQZUDXWSRI-GOSISDBHSA-N 1 2 325.412 3.559 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccc(-c2ccccc2)cc1F ZINC000644816409 1042040100 /nfs/dbraw/zinc/04/01/00/1042040100.db2.gz UPLMDWOUKSZFNF-UHFFFAOYSA-N 1 2 337.398 3.786 20 0 EHADLO Clc1ccc(N2CC[NH+](Cc3cncs3)CC2)cc1Cl ZINC000661377807 1042092928 /nfs/dbraw/zinc/09/29/28/1042092928.db2.gz WEFHGKFTWFVFNU-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)c1cscn1 ZINC000661424207 1042113931 /nfs/dbraw/zinc/11/39/31/1042113931.db2.gz OSZLEPFDNBIYCX-UONOGXRCSA-N 1 2 339.464 3.824 20 0 EHADLO Cc1nnc(C[N@@H+](C)Cc2cccc3c(Br)cccc23)o1 ZINC000661528947 1042170460 /nfs/dbraw/zinc/17/04/60/1042170460.db2.gz DAHYCYASPCPUGV-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1nnc(C[N@H+](C)Cc2cccc3c(Br)cccc23)o1 ZINC000661528947 1042170465 /nfs/dbraw/zinc/17/04/65/1042170465.db2.gz DAHYCYASPCPUGV-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661559603 1042188954 /nfs/dbraw/zinc/18/89/54/1042188954.db2.gz PHQLGGZQLMWRLX-JKSUJKDBSA-N 1 2 346.519 3.933 20 0 EHADLO COCc1cnc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)s1 ZINC000651949576 1042233582 /nfs/dbraw/zinc/23/35/82/1042233582.db2.gz OQRVTPBGUPWWNU-AWEZNQCLSA-N 1 2 336.432 3.821 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000661738439 1042293113 /nfs/dbraw/zinc/29/31/13/1042293113.db2.gz RBAPMVOLODAKJP-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000661738439 1042293118 /nfs/dbraw/zinc/29/31/18/1042293118.db2.gz RBAPMVOLODAKJP-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO COc1ccnc(C[N@@H+](Cc2ccccc2F)CC2CC2)c1OC ZINC000661791975 1042332647 /nfs/dbraw/zinc/33/26/47/1042332647.db2.gz MKPOYTGZNVYJST-UHFFFAOYSA-N 1 2 330.403 3.650 20 0 EHADLO COc1ccnc(C[N@H+](Cc2ccccc2F)CC2CC2)c1OC ZINC000661791975 1042332653 /nfs/dbraw/zinc/33/26/53/1042332653.db2.gz MKPOYTGZNVYJST-UHFFFAOYSA-N 1 2 330.403 3.650 20 0 EHADLO c1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)no2)cc1 ZINC000661870552 1042374452 /nfs/dbraw/zinc/37/44/52/1042374452.db2.gz JPODWLCWUVEZKK-KRWDZBQOSA-N 1 2 327.428 3.518 20 0 EHADLO COc1c(F)cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001211674680 1042395750 /nfs/dbraw/zinc/39/57/50/1042395750.db2.gz QHSDIMDKSBONQV-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000661970505 1042437093 /nfs/dbraw/zinc/43/70/93/1042437093.db2.gz FCDATUMNWHMYLN-RKDXNWHRSA-N 1 2 333.646 3.927 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000661970505 1042437095 /nfs/dbraw/zinc/43/70/95/1042437095.db2.gz FCDATUMNWHMYLN-RKDXNWHRSA-N 1 2 333.646 3.927 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661973896 1042438599 /nfs/dbraw/zinc/43/85/99/1042438599.db2.gz HDDMJPKNTSLZEZ-VOAKCMCISA-N 1 2 343.496 3.925 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661973896 1042438601 /nfs/dbraw/zinc/43/86/01/1042438601.db2.gz HDDMJPKNTSLZEZ-VOAKCMCISA-N 1 2 343.496 3.925 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CC1 ZINC000661991045 1042449853 /nfs/dbraw/zinc/44/98/53/1042449853.db2.gz RRJBLVLNMYAQNY-YOEHRIQHSA-N 1 2 335.517 3.571 20 0 EHADLO CCCCOCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000056281866 1042514649 /nfs/dbraw/zinc/51/46/49/1042514649.db2.gz VWXBSWDLZZCRLC-UHFFFAOYSA-N 1 2 333.259 3.680 20 0 EHADLO CCCCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000056281866 1042514650 /nfs/dbraw/zinc/51/46/50/1042514650.db2.gz VWXBSWDLZZCRLC-UHFFFAOYSA-N 1 2 333.259 3.680 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)[nH]1 ZINC000663172894 1042518358 /nfs/dbraw/zinc/51/83/58/1042518358.db2.gz IPIVJDWFOFHADW-SNVBAGLBSA-N 1 2 345.834 3.848 20 0 EHADLO C[C@H](CC(=O)N1CCC2(CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000652524310 1042518890 /nfs/dbraw/zinc/51/88/90/1042518890.db2.gz HFTWBGZZQSUOFZ-QGZVFWFLSA-N 1 2 337.467 3.632 20 0 EHADLO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000662119424 1042532047 /nfs/dbraw/zinc/53/20/47/1042532047.db2.gz WJEDDNHNFLKOPW-JTQLQIEISA-N 1 2 335.300 3.792 20 0 EHADLO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000662119424 1042532051 /nfs/dbraw/zinc/53/20/51/1042532051.db2.gz WJEDDNHNFLKOPW-JTQLQIEISA-N 1 2 335.300 3.792 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccsc1)c1nc(C(C)(C)C)no1 ZINC000583475503 1042598072 /nfs/dbraw/zinc/59/80/72/1042598072.db2.gz WOBLHHQPUSAKRS-JTQLQIEISA-N 1 2 331.445 3.670 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(OC)ccc2OC)o1 ZINC000165212310 1042671613 /nfs/dbraw/zinc/67/16/13/1042671613.db2.gz HIJHYQDONWUZCE-CXAGYDPISA-N 1 2 333.428 3.898 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000662331309 1042686135 /nfs/dbraw/zinc/68/61/35/1042686135.db2.gz LQJKHKLDLQXLKS-LSWWBPAMSA-N 1 2 341.455 3.924 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000662331309 1042686138 /nfs/dbraw/zinc/68/61/38/1042686138.db2.gz LQJKHKLDLQXLKS-LSWWBPAMSA-N 1 2 341.455 3.924 20 0 EHADLO O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)Nc1cc(F)ccc1F ZINC000662334210 1042686391 /nfs/dbraw/zinc/68/63/91/1042686391.db2.gz MVJDEWJRJXKVQX-UHFFFAOYSA-N 1 2 328.362 3.524 20 0 EHADLO O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)Nc1cc(F)ccc1F ZINC000662334210 1042686395 /nfs/dbraw/zinc/68/63/95/1042686395.db2.gz MVJDEWJRJXKVQX-UHFFFAOYSA-N 1 2 328.362 3.524 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1F)c1ncc(Br)cc1F ZINC000186921186 1042725118 /nfs/dbraw/zinc/72/51/18/1042725118.db2.gz KZZGUVAOCCQLGH-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278922282 1042955104 /nfs/dbraw/zinc/95/51/04/1042955104.db2.gz LRESXXPRGRAZRR-QWRGUYRKSA-N 1 2 349.422 3.604 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000512036980 1043019463 /nfs/dbraw/zinc/01/94/63/1043019463.db2.gz NNRRHKKCPAGGKV-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000512036980 1043019467 /nfs/dbraw/zinc/01/94/67/1043019467.db2.gz NNRRHKKCPAGGKV-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000585756429 1043025622 /nfs/dbraw/zinc/02/56/22/1043025622.db2.gz NGOOMLGFSHBVIK-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000585756429 1043025628 /nfs/dbraw/zinc/02/56/28/1043025628.db2.gz NGOOMLGFSHBVIK-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO Cc1nc(NC[C@H]2OCCc3ccccc32)c(Br)c(C)[nH+]1 ZINC000663604090 1043036515 /nfs/dbraw/zinc/03/65/15/1043036515.db2.gz VSLHAVIHXZWWRE-CQSZACIVSA-N 1 2 348.244 3.582 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000432391466 1043050025 /nfs/dbraw/zinc/05/00/25/1043050025.db2.gz LDIYKBSGIFCPMK-LSTHTHJFSA-N 1 2 339.483 3.734 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1nccn1C ZINC000343995629 1043074773 /nfs/dbraw/zinc/07/47/73/1043074773.db2.gz TXZJLDIDOOEKCG-UWVGGRQHSA-N 1 2 326.213 3.734 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)[S@]1=O ZINC000348553506 1043110336 /nfs/dbraw/zinc/11/03/36/1043110336.db2.gz XGICKXLMMKBFNS-DJKDLEHESA-N 1 2 335.513 3.522 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)[S@]1=O ZINC000348553506 1043110340 /nfs/dbraw/zinc/11/03/40/1043110340.db2.gz XGICKXLMMKBFNS-DJKDLEHESA-N 1 2 335.513 3.522 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Cl)nc1C ZINC000279021363 1043205586 /nfs/dbraw/zinc/20/55/86/1043205586.db2.gz VTIJPZNLYFCAMY-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO COC[C@@H]1CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)C1 ZINC000663645921 1043239365 /nfs/dbraw/zinc/23/93/65/1043239365.db2.gz DVMVVKPIZHODCH-QGZVFWFLSA-N 1 2 348.450 3.715 20 0 EHADLO Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344134880 1043309550 /nfs/dbraw/zinc/30/95/50/1043309550.db2.gz ZWWKDJQGQVLOGX-GFCCVEGCSA-N 1 2 340.290 3.853 20 0 EHADLO Cc1nccn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344134880 1043309558 /nfs/dbraw/zinc/30/95/58/1043309558.db2.gz ZWWKDJQGQVLOGX-GFCCVEGCSA-N 1 2 340.290 3.853 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344201919 1043416446 /nfs/dbraw/zinc/41/64/46/1043416446.db2.gz ABOKWIWVTJUWHB-LJQANCHMSA-N 1 2 347.418 3.688 20 0 EHADLO CC(C)CCc1nc(C[N@H+](C)CCC(=O)OC(C)(C)C)cs1 ZINC000344219277 1043463477 /nfs/dbraw/zinc/46/34/77/1043463477.db2.gz OYPVCBOZTSITSS-UHFFFAOYSA-N 1 2 326.506 3.895 20 0 EHADLO CC(C)CCc1nc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cs1 ZINC000344219277 1043463484 /nfs/dbraw/zinc/46/34/84/1043463484.db2.gz OYPVCBOZTSITSS-UHFFFAOYSA-N 1 2 326.506 3.895 20 0 EHADLO CCCC[NH+](CCCC)Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000728895811 1043495143 /nfs/dbraw/zinc/49/51/43/1043495143.db2.gz BTVGNQBIJCYWGR-UHFFFAOYSA-N 1 2 327.542 3.921 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1 ZINC000344309093 1043632427 /nfs/dbraw/zinc/63/24/27/1043632427.db2.gz XFNNYNIAAZAGQR-SFHVURJKSA-N 1 2 326.440 3.685 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1 ZINC000344309093 1043632438 /nfs/dbraw/zinc/63/24/38/1043632438.db2.gz XFNNYNIAAZAGQR-SFHVURJKSA-N 1 2 326.440 3.685 20 0 EHADLO CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637380764 1043901180 /nfs/dbraw/zinc/90/11/80/1043901180.db2.gz XYNYJEGNJSDZCX-ZWKOTPCHSA-N 1 2 340.471 3.710 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000051882660 1044012058 /nfs/dbraw/zinc/01/20/58/1044012058.db2.gz GKTZAZZCGJOKPS-KRWDZBQOSA-N 1 2 346.496 3.846 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000051882660 1044012073 /nfs/dbraw/zinc/01/20/73/1044012073.db2.gz GKTZAZZCGJOKPS-KRWDZBQOSA-N 1 2 346.496 3.846 20 0 EHADLO CC(C)n1cccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279461321 1044106175 /nfs/dbraw/zinc/10/61/75/1044106175.db2.gz FMILFPUYCGMBLS-UHFFFAOYSA-N 1 2 340.471 3.622 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000344578664 1044146997 /nfs/dbraw/zinc/14/69/97/1044146997.db2.gz ICSRPKYTJKXLMU-OUNSHVDWSA-N 1 2 345.483 3.960 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc[nH+]1 ZINC000010163428 1044238988 /nfs/dbraw/zinc/23/89/88/1044238988.db2.gz BHFFDALPPPBBEE-UHFFFAOYSA-N 1 2 337.404 3.956 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccccn3)s2)cs1 ZINC000344711786 1044326093 /nfs/dbraw/zinc/32/60/93/1044326093.db2.gz TYJZLEGJDFKNRV-LLVKDONJSA-N 1 2 346.481 3.659 20 0 EHADLO CCc1cc(N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)nc(C)[nH+]1 ZINC000436425287 1044378906 /nfs/dbraw/zinc/37/89/06/1044378906.db2.gz OUYZJYWTZNKITI-SJKOYZFVSA-N 1 2 331.847 3.967 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OCC ZINC000279725824 1044471216 /nfs/dbraw/zinc/47/12/16/1044471216.db2.gz MNZYWZHCWFWKHU-AWEZNQCLSA-N 1 2 332.448 3.507 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C34CCC(CC3)C4)CC2)s1 ZINC000344828671 1044497452 /nfs/dbraw/zinc/49/74/52/1044497452.db2.gz TWDKPPQAEJMXGL-UHFFFAOYSA-N 1 2 332.513 3.535 20 0 EHADLO CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000279876428 1044792325 /nfs/dbraw/zinc/79/23/25/1044792325.db2.gz DXFCEEOKDZHSQT-HOCLYGCPSA-N 1 2 327.428 3.919 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001137560564 1137123358 /nfs/dbraw/zinc/12/33/58/1137123358.db2.gz CIDCBDMABBMORA-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001137560564 1137123360 /nfs/dbraw/zinc/12/33/60/1137123360.db2.gz CIDCBDMABBMORA-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO CCCCC[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000620565532 1125595614 /nfs/dbraw/zinc/59/56/14/1125595614.db2.gz UIOBAAMJLKDMGX-INIZCTEOSA-N 1 2 326.444 3.842 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@]1(C)Cc1cccc2ccccc21 ZINC000620588834 1125602285 /nfs/dbraw/zinc/60/22/85/1125602285.db2.gz DGUCGRKAYBLSCU-QFIPXVFZSA-N 1 2 347.462 3.740 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000153759740 1125657341 /nfs/dbraw/zinc/65/73/41/1125657341.db2.gz HTQQBPSLRISVKX-IAGOWNOFSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155074144 1125783642 /nfs/dbraw/zinc/78/36/42/1125783642.db2.gz GLKPQWZUYFYLRI-GOSISDBHSA-N 1 2 345.512 3.690 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000622493352 1126710392 /nfs/dbraw/zinc/71/03/92/1126710392.db2.gz VOZYDMYBNXJETP-VXGBXAGGSA-N 1 2 346.500 3.835 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000622493352 1126710395 /nfs/dbraw/zinc/71/03/95/1126710395.db2.gz VOZYDMYBNXJETP-VXGBXAGGSA-N 1 2 346.500 3.835 20 0 EHADLO CCc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000622546370 1126715443 /nfs/dbraw/zinc/71/54/43/1126715443.db2.gz UBACMASIVBJGGT-UHFFFAOYSA-N 1 2 342.870 3.691 20 0 EHADLO CCc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000622546370 1126715446 /nfs/dbraw/zinc/71/54/46/1126715446.db2.gz UBACMASIVBJGGT-UHFFFAOYSA-N 1 2 342.870 3.691 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184980872 1126731016 /nfs/dbraw/zinc/73/10/16/1126731016.db2.gz KXTFRLDTBGOSOU-ZBFHGGJFSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184980872 1126731018 /nfs/dbraw/zinc/73/10/18/1126731018.db2.gz KXTFRLDTBGOSOU-ZBFHGGJFSA-N 1 2 345.516 3.964 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171912502 1126769332 /nfs/dbraw/zinc/76/93/32/1126769332.db2.gz KPLPCYYWWMAUHJ-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171912502 1126769335 /nfs/dbraw/zinc/76/93/35/1126769335.db2.gz KPLPCYYWWMAUHJ-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO Cc1noc(C)c1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185136344 1126774143 /nfs/dbraw/zinc/77/41/43/1126774143.db2.gz OTFNRUVVJZQAKO-SSDOTTSWSA-N 1 2 343.196 3.749 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000172169541 1126783074 /nfs/dbraw/zinc/78/30/74/1126783074.db2.gz NMMSJDNXXYSKNQ-MRXNPFEDSA-N 1 2 326.440 3.853 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000172169541 1126783078 /nfs/dbraw/zinc/78/30/78/1126783078.db2.gz NMMSJDNXXYSKNQ-MRXNPFEDSA-N 1 2 326.440 3.853 20 0 EHADLO CCOc1nnc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000622836671 1126793485 /nfs/dbraw/zinc/79/34/85/1126793485.db2.gz IFSIHGBIJGBWCX-RDJZCZTQSA-N 1 2 347.484 3.537 20 0 EHADLO CCOc1nnc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000622836671 1126793490 /nfs/dbraw/zinc/79/34/90/1126793490.db2.gz IFSIHGBIJGBWCX-RDJZCZTQSA-N 1 2 347.484 3.537 20 0 EHADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622836878 1126794686 /nfs/dbraw/zinc/79/46/86/1126794686.db2.gz SMACFXJGWLWIRR-AEFFLSMTSA-N 1 2 327.428 3.547 20 0 EHADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622836878 1126794691 /nfs/dbraw/zinc/79/46/91/1126794691.db2.gz SMACFXJGWLWIRR-AEFFLSMTSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@H]([NH2+]CCOC1CCCC1)c1cc(Br)cc(F)c1O ZINC000185211850 1126820849 /nfs/dbraw/zinc/82/08/49/1126820849.db2.gz SYYDDSPFRKUDIY-JTQLQIEISA-N 1 2 346.240 3.904 20 0 EHADLO O=C(N[C@H](C(F)F)C1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000623006255 1126854178 /nfs/dbraw/zinc/85/41/78/1126854178.db2.gz BMTSTPMCFOXKLJ-KRWDZBQOSA-N 1 2 347.409 3.875 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C[C@H](C)O2 ZINC000175061361 1126865574 /nfs/dbraw/zinc/86/55/74/1126865574.db2.gz UYKMFQCCEXBRAL-HNNXBMFYSA-N 1 2 333.391 3.608 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000623351989 1126928422 /nfs/dbraw/zinc/92/84/22/1126928422.db2.gz KUNRJRWTWBBVAK-JTQLQIEISA-N 1 2 344.406 3.936 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1Cl ZINC000623351916 1126928461 /nfs/dbraw/zinc/92/84/61/1126928461.db2.gz IXEGPCZGXVZAAQ-LBPRGKRZSA-N 1 2 334.851 3.517 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(F)c1 ZINC000176546009 1126933445 /nfs/dbraw/zinc/93/34/45/1126933445.db2.gz NKRZTWJLWODMCS-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C(N)=O)c3ccccc3)oc21 ZINC000192794329 1126937598 /nfs/dbraw/zinc/93/75/98/1126937598.db2.gz FDZHIFHZMHIKGB-SCLBCKFNSA-N 1 2 338.407 3.709 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000185782926 1127010952 /nfs/dbraw/zinc/01/09/52/1127010952.db2.gz QQQSXVZNCNIZCF-VHSXEESVSA-N 1 2 346.240 3.760 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](c3ccccc3)C3CC3)no2)cc1 ZINC000179102685 1127044737 /nfs/dbraw/zinc/04/47/37/1127044737.db2.gz MZSFNUGBMDQYFS-LJQANCHMSA-N 1 2 335.407 3.986 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000179508526 1127067954 /nfs/dbraw/zinc/06/79/54/1127067954.db2.gz OCZSSRXBPUXEQW-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000179508526 1127067957 /nfs/dbraw/zinc/06/79/57/1127067957.db2.gz OCZSSRXBPUXEQW-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO Fc1cccc(C2([NH2+]Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000179684438 1127081067 /nfs/dbraw/zinc/08/10/67/1127081067.db2.gz OSTZQFCYVHWHRW-UHFFFAOYSA-N 1 2 342.805 3.839 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(SC)c1 ZINC000179888441 1127098108 /nfs/dbraw/zinc/09/81/08/1127098108.db2.gz IYRACJMKQMQJIL-LBPRGKRZSA-N 1 2 348.443 3.846 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C)c2nnc3ccccn32)c1Br ZINC000921509934 1127154535 /nfs/dbraw/zinc/15/45/35/1127154535.db2.gz WXJUXFBQIZKVJQ-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(CCC(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180626519 1127177533 /nfs/dbraw/zinc/17/75/33/1127177533.db2.gz KGRNCDVMHGPTAB-OAHLLOKOSA-N 1 2 345.443 3.670 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2cccnc2OCC(F)(F)F)n1 ZINC000623860336 1127199855 /nfs/dbraw/zinc/19/98/55/1127199855.db2.gz SDIRJHSABVGMRW-JTQLQIEISA-N 1 2 331.363 3.638 20 0 EHADLO FC(F)(F)COc1ncccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623860183 1127200375 /nfs/dbraw/zinc/20/03/75/1127200375.db2.gz LLHDVMYXQKEBBG-NSHDSACASA-N 1 2 343.374 3.646 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)c2)[nH+]c1C ZINC000763990342 1127214156 /nfs/dbraw/zinc/21/41/56/1127214156.db2.gz ZUIJQEAAYCIMMW-ABAIWWIYSA-N 1 2 325.412 3.637 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1Cl ZINC000624017753 1127234305 /nfs/dbraw/zinc/23/43/05/1127234305.db2.gz DVWJICOAFIZERI-LDYMZIIASA-N 1 2 348.661 3.765 20 0 EHADLO CC[C@@H](CCc1ccccc1)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000624179340 1127276117 /nfs/dbraw/zinc/27/61/17/1127276117.db2.gz UWVIEMJLOGWAIZ-IBGZPJMESA-N 1 2 325.456 3.909 20 0 EHADLO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181736473 1127293427 /nfs/dbraw/zinc/29/34/27/1127293427.db2.gz BJNRBCGLKWTKNX-NSHDSACASA-N 1 2 340.851 3.816 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000181744669 1127293976 /nfs/dbraw/zinc/29/39/76/1127293976.db2.gz GRDFVPUKOSGURQ-LLVKDONJSA-N 1 2 348.805 3.971 20 0 EHADLO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000181752508 1127294331 /nfs/dbraw/zinc/29/43/31/1127294331.db2.gz KFMMNYAUOSSUFR-NSHDSACASA-N 1 2 336.794 3.777 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182172115 1127315528 /nfs/dbraw/zinc/31/55/28/1127315528.db2.gz DKJZYYVVYIGBDP-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182172115 1127315533 /nfs/dbraw/zinc/31/55/33/1127315533.db2.gz DKJZYYVVYIGBDP-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182197902 1127315941 /nfs/dbraw/zinc/31/59/41/1127315941.db2.gz BKKGLIVHJXYFNP-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182197902 1127315944 /nfs/dbraw/zinc/31/59/44/1127315944.db2.gz BKKGLIVHJXYFNP-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO Cc1cc(CNC(=O)NCC2(C(F)(F)F)CCCC2)cc(C)[nH+]1 ZINC000624223151 1127319345 /nfs/dbraw/zinc/31/93/45/1127319345.db2.gz OOBMQPXGBNSLRV-UHFFFAOYSA-N 1 2 329.366 3.620 20 0 EHADLO COCCOc1ccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000183148704 1127364772 /nfs/dbraw/zinc/36/47/72/1127364772.db2.gz OVEFYUPSLIXZFZ-MRXNPFEDSA-N 1 2 341.455 3.880 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)Cc2cnc(-c3ccccc3)[nH]2)c1C ZINC000183781326 1127387102 /nfs/dbraw/zinc/38/71/02/1127387102.db2.gz YJFPVUQZBYGPFS-UHFFFAOYSA-N 1 2 336.439 3.729 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccco1 ZINC000184172841 1127396918 /nfs/dbraw/zinc/39/69/18/1127396918.db2.gz MOECPZWVRSGOFK-ZDUSSCGKSA-N 1 2 345.365 3.535 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)n1 ZINC000184219609 1127398187 /nfs/dbraw/zinc/39/81/87/1127398187.db2.gz XAZKTZIOEQFRNU-CYBMUJFWSA-N 1 2 325.437 3.894 20 0 EHADLO C[C@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccc2c(c1)CCCC2 ZINC000184386181 1127403480 /nfs/dbraw/zinc/40/34/80/1127403480.db2.gz ZNHDTZIQEXZMBO-KBPBESRZSA-N 1 2 343.496 3.550 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000184506678 1127407287 /nfs/dbraw/zinc/40/72/87/1127407287.db2.gz RLOMTZMDZHTTQQ-QWHCGFSZSA-N 1 2 349.544 3.881 20 0 EHADLO COC[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccco1 ZINC000184531382 1127407759 /nfs/dbraw/zinc/40/77/59/1127407759.db2.gz HCMNVCJGDJJRAB-ZDUSSCGKSA-N 1 2 329.318 3.698 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)cs1 ZINC000184681364 1127411269 /nfs/dbraw/zinc/41/12/69/1127411269.db2.gz CXCIIDDBQDPOCG-ZIAGYGMSSA-N 1 2 343.496 3.724 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N(CC)c2ccccc2)o1 ZINC000184857321 1127415164 /nfs/dbraw/zinc/41/51/64/1127415164.db2.gz MGDXEPPJDZINJL-QAPCUYQASA-N 1 2 344.455 3.561 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)s1 ZINC000185012623 1127418260 /nfs/dbraw/zinc/41/82/60/1127418260.db2.gz FCSSKDSHKIVULG-ZDUSSCGKSA-N 1 2 325.437 3.894 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1nc(C(C)(C)C)cs1 ZINC000185062688 1127419476 /nfs/dbraw/zinc/41/94/76/1127419476.db2.gz ZSHNBOKKIPSIBL-LLVKDONJSA-N 1 2 345.472 3.680 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)cc[nH+]1 ZINC001127729090 1127440667 /nfs/dbraw/zinc/44/06/67/1127440667.db2.gz WEMLANBJUWTULM-UHFFFAOYSA-N 1 2 339.782 3.905 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764811248 1127537552 /nfs/dbraw/zinc/53/75/52/1127537552.db2.gz XUHVTMKOGGHVLH-QRWLVFNGSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1ccc(C[N@H+](C)Cn2ncc(Br)c2C2CC2)cc1 ZINC000764850123 1127543106 /nfs/dbraw/zinc/54/31/06/1127543106.db2.gz XWERKVURFJMXGT-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cn2ncc(Br)c2C2CC2)cc1 ZINC000764850123 1127543108 /nfs/dbraw/zinc/54/31/08/1127543108.db2.gz XWERKVURFJMXGT-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO CNc1ccc(Nc2ccccc2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001203455875 1127552247 /nfs/dbraw/zinc/55/22/47/1127552247.db2.gz XPMZGZZMXYCHFW-UHFFFAOYSA-N 1 2 339.420 3.700 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C)CC2)nc1-c1cccnc1 ZINC000764943392 1127552775 /nfs/dbraw/zinc/55/27/75/1127552775.db2.gz FETURCICXKMFFO-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C)CC2)nc1-c1cccnc1 ZINC000764943392 1127552778 /nfs/dbraw/zinc/55/27/78/1127552778.db2.gz FETURCICXKMFFO-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058799 1127568154 /nfs/dbraw/zinc/56/81/54/1127568154.db2.gz YODNBWDMDZMUOJ-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058799 1127568155 /nfs/dbraw/zinc/56/81/55/1127568155.db2.gz YODNBWDMDZMUOJ-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H](C)C2(C)CC2)nc1-c1cccnc1 ZINC000765069452 1127569793 /nfs/dbraw/zinc/56/97/93/1127569793.db2.gz YGXUWPOTJMMMPG-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H](C)C2(C)CC2)nc1-c1cccnc1 ZINC000765069452 1127569795 /nfs/dbraw/zinc/56/97/95/1127569795.db2.gz YGXUWPOTJMMMPG-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(N(C)C)[nH+]1 ZINC000749993688 1127577045 /nfs/dbraw/zinc/57/70/45/1127577045.db2.gz KUSLIWNQQJGEKP-UHFFFAOYSA-N 1 2 337.345 3.656 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000385299527 1127600237 /nfs/dbraw/zinc/60/02/37/1127600237.db2.gz JJTHKONOTGLSRP-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO C/C=C(/C=C\C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)CC ZINC000765430629 1127611002 /nfs/dbraw/zinc/61/10/02/1127611002.db2.gz ZGWOJDXQPLSRJO-ZSRJWQTJSA-N 1 2 328.456 3.931 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC ZINC000010895811 1127634539 /nfs/dbraw/zinc/63/45/39/1127634539.db2.gz BBALDGJEGCBBQU-UHFFFAOYSA-N 1 2 325.368 3.531 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000014924173 1127649159 /nfs/dbraw/zinc/64/91/59/1127649159.db2.gz JMXQKAZIVOSWBH-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000014924173 1127649161 /nfs/dbraw/zinc/64/91/61/1127649161.db2.gz JMXQKAZIVOSWBH-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)cc1OC ZINC000172016475 1127661039 /nfs/dbraw/zinc/66/10/39/1127661039.db2.gz FYBYOTCELCUICK-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)cc1OC ZINC000172016475 1127661042 /nfs/dbraw/zinc/66/10/42/1127661042.db2.gz FYBYOTCELCUICK-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO Clc1cccc2c1CCC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000542664382 1127741521 /nfs/dbraw/zinc/74/15/21/1127741521.db2.gz IPAIISHEHIKROY-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cs1 ZINC000671638026 1127756892 /nfs/dbraw/zinc/75/68/92/1127756892.db2.gz PNLPBXMEAQAPSY-MRXNPFEDSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cs1 ZINC000671638026 1127756896 /nfs/dbraw/zinc/75/68/96/1127756896.db2.gz PNLPBXMEAQAPSY-MRXNPFEDSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000026216011 1127770226 /nfs/dbraw/zinc/77/02/26/1127770226.db2.gz GSXBIYJNUHOHKE-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CC[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000026217370 1127770373 /nfs/dbraw/zinc/77/03/73/1127770373.db2.gz XKTFCIFPTCTWRK-HXUWFJFHSA-N 1 2 347.462 3.784 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]C2(c3ccccc3)CCC2)cs1 ZINC000172147990 1127784396 /nfs/dbraw/zinc/78/43/96/1127784396.db2.gz YCFYXVBBVYOQEL-UHFFFAOYSA-N 1 2 329.469 3.685 20 0 EHADLO O=C(COc1cccc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029918592 1127811268 /nfs/dbraw/zinc/81/12/68/1127811268.db2.gz YQEXAFRVYIIACD-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CC[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000030217366 1127816338 /nfs/dbraw/zinc/81/63/38/1127816338.db2.gz KIVWOWUCJJBCGA-FQEVSTJZSA-N 1 2 333.435 3.741 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030570201 1127821617 /nfs/dbraw/zinc/82/16/17/1127821617.db2.gz ILBOTSCEMBZHKU-HXUWFJFHSA-N 1 2 347.418 3.858 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000172226783 1127826681 /nfs/dbraw/zinc/82/66/81/1127826681.db2.gz QUSOPXWBBSQIHG-UHFFFAOYSA-N 1 2 340.427 3.541 20 0 EHADLO CC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000032761904 1127857727 /nfs/dbraw/zinc/85/77/27/1127857727.db2.gz BPMDUXMMSWNFDJ-ZDUSSCGKSA-N 1 2 348.493 3.579 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccccc1Cl ZINC000042294551 1127889297 /nfs/dbraw/zinc/88/92/97/1127889297.db2.gz IVDJRXJVTCDNMK-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1ccccc1Cl ZINC000042294551 1127889301 /nfs/dbraw/zinc/88/93/01/1127889301.db2.gz IVDJRXJVTCDNMK-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO Cn1cccc1C[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000671683527 1127893310 /nfs/dbraw/zinc/89/33/10/1127893310.db2.gz FIECMJVIHWWVAI-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO Cn1cccc1C[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000671683527 1127893315 /nfs/dbraw/zinc/89/33/15/1127893315.db2.gz FIECMJVIHWWVAI-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO CCCCOCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172330506 1127901632 /nfs/dbraw/zinc/90/16/32/1127901632.db2.gz MAJKVDWPTAFDMA-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000338615906 1127907697 /nfs/dbraw/zinc/90/76/97/1127907697.db2.gz BOLLCTASLPPTGT-MRXNPFEDSA-N 1 2 343.496 3.570 20 0 EHADLO C[N@H+]1CCN(C(=O)c2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000338615906 1127907701 /nfs/dbraw/zinc/90/77/01/1127907701.db2.gz BOLLCTASLPPTGT-MRXNPFEDSA-N 1 2 343.496 3.570 20 0 EHADLO CC[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043499953 1127920845 /nfs/dbraw/zinc/92/08/45/1127920845.db2.gz NISAQLVBDRHVEX-CQSZACIVSA-N 1 2 336.505 3.783 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3ccnc4cccnc43)CC2)s1 ZINC000338637431 1127955455 /nfs/dbraw/zinc/95/54/55/1127955455.db2.gz OBNSLUGQNHOCEZ-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000046019254 1127966472 /nfs/dbraw/zinc/96/64/72/1127966472.db2.gz PABIKINDHNFDLO-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)OCc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362559 1128001879 /nfs/dbraw/zinc/00/18/79/1128001879.db2.gz NVTKNNYENHMMPQ-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO Fc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1F ZINC001212364820 1128029714 /nfs/dbraw/zinc/02/97/14/1128029714.db2.gz UOCHVUKNJGADBD-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Clc1cnc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2c1 ZINC001212364909 1128031143 /nfs/dbraw/zinc/03/11/43/1128031143.db2.gz ZGOUOOPLGCDBOX-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCCCCn1cc[nH+]c1 ZINC000057374780 1128045775 /nfs/dbraw/zinc/04/57/75/1128045775.db2.gz ZXMWHCWOMCPPBN-MRXNPFEDSA-N 1 2 344.459 3.578 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000057595717 1128053205 /nfs/dbraw/zinc/05/32/05/1128053205.db2.gz QJTSYIFDRXAOSI-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000057595717 1128053210 /nfs/dbraw/zinc/05/32/10/1128053210.db2.gz QJTSYIFDRXAOSI-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CC[N@H+](Cc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000058748334 1128078925 /nfs/dbraw/zinc/07/89/25/1128078925.db2.gz WUIBHTXAAFRCKZ-UHFFFAOYSA-N 1 2 348.454 3.528 20 0 EHADLO CC[N@@H+](Cc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000058748334 1128078930 /nfs/dbraw/zinc/07/89/30/1128078930.db2.gz WUIBHTXAAFRCKZ-UHFFFAOYSA-N 1 2 348.454 3.528 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000671718379 1128091020 /nfs/dbraw/zinc/09/10/20/1128091020.db2.gz CHNPDFSDKUGOKT-UHFFFAOYSA-N 1 2 333.815 3.582 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000060893471 1128116413 /nfs/dbraw/zinc/11/64/13/1128116413.db2.gz QBCGIEJBSMCMHQ-KRWDZBQOSA-N 1 2 342.487 3.947 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000282248364 1128130128 /nfs/dbraw/zinc/13/01/28/1128130128.db2.gz GLYMZIJONWDJDF-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO CC(C)COC[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccco1 ZINC000347610819 1128137435 /nfs/dbraw/zinc/13/74/35/1128137435.db2.gz FNPWDKIFIVQLGL-GOSISDBHSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000064140797 1128163220 /nfs/dbraw/zinc/16/32/20/1128163220.db2.gz XLEWPOWBQIOIQW-CYBMUJFWSA-N 1 2 340.414 3.539 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000068420780 1128266084 /nfs/dbraw/zinc/26/60/84/1128266084.db2.gz YCGLDMWUVJSSIG-KGLIPLIRSA-N 1 2 343.393 3.759 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cn(-c2ccccc2)nn1 ZINC000671753352 1128214039 /nfs/dbraw/zinc/21/40/39/1128214039.db2.gz LVASKBOBXAHMCW-STQMWFEESA-N 1 2 349.394 3.526 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)o1 ZINC000066561337 1128221235 /nfs/dbraw/zinc/22/12/35/1128221235.db2.gz YUVAJSZBGIKCIO-IBGZPJMESA-N 1 2 326.440 3.556 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)o1 ZINC000066561337 1128221238 /nfs/dbraw/zinc/22/12/38/1128221238.db2.gz YUVAJSZBGIKCIO-IBGZPJMESA-N 1 2 326.440 3.556 20 0 EHADLO O=C(NCCc1ccccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067330504 1128239583 /nfs/dbraw/zinc/23/95/83/1128239583.db2.gz MZCAYROJDPUXNB-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO CCCc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000067478077 1128241410 /nfs/dbraw/zinc/24/14/10/1128241410.db2.gz GBWALKWOXINSPV-UHFFFAOYSA-N 1 2 333.435 3.814 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000084503693 1128271732 /nfs/dbraw/zinc/27/17/32/1128271732.db2.gz UGLFSJQCTGDRQD-UHFFFAOYSA-N 1 2 333.800 3.554 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089257 1128282501 /nfs/dbraw/zinc/28/25/01/1128282501.db2.gz ZWANVJODPIWGMV-CQSZACIVSA-N 1 2 343.858 3.619 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089257 1128282503 /nfs/dbraw/zinc/28/25/03/1128282503.db2.gz ZWANVJODPIWGMV-CQSZACIVSA-N 1 2 343.858 3.619 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000069245445 1128284260 /nfs/dbraw/zinc/28/42/60/1128284260.db2.gz PFVWYIUQDHGVKD-QGZVFWFLSA-N 1 2 342.487 3.719 20 0 EHADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccco1 ZINC000073618327 1128325958 /nfs/dbraw/zinc/32/59/58/1128325958.db2.gz WDRJAGLNQCEFLH-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccco1 ZINC000073618327 1128325962 /nfs/dbraw/zinc/32/59/62/1128325962.db2.gz WDRJAGLNQCEFLH-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000112526624 1128347879 /nfs/dbraw/zinc/34/78/79/1128347879.db2.gz XRXAHZHMQRCOAK-KGLIPLIRSA-N 1 2 338.411 3.764 20 0 EHADLO c1[nH+]cn2c1c(N1CCC([C@@H]3CCCCO3)CC1)nc1ccccc12 ZINC000624401372 1128350942 /nfs/dbraw/zinc/35/09/42/1128350942.db2.gz XJCOFNGCKRJLNI-IBGZPJMESA-N 1 2 336.439 3.668 20 0 EHADLO Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2N)c(C)[nH+]1 ZINC000186337456 1128394981 /nfs/dbraw/zinc/39/49/81/1128394981.db2.gz XTMYJCGTNNNPIW-UHFFFAOYSA-N 1 2 345.859 3.616 20 0 EHADLO Cc1ccc([C@@H](C[NH2+]Cc2nc(C(C)(C)C)co2)N2CCCC2)o1 ZINC000921650476 1128432404 /nfs/dbraw/zinc/43/24/04/1128432404.db2.gz NZEYKPBXXKOSEU-OAHLLOKOSA-N 1 2 331.460 3.800 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)[nH+]c1C ZINC000921664703 1128442499 /nfs/dbraw/zinc/44/24/99/1128442499.db2.gz CYOGVTGRIGPECY-UHFFFAOYSA-N 1 2 347.422 3.915 20 0 EHADLO Cc1noc(C)c1CCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921667609 1128447056 /nfs/dbraw/zinc/44/70/56/1128447056.db2.gz RGJRKZDIJIPHQW-UHFFFAOYSA-N 1 2 338.411 3.870 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)cc2)[nH+]c1C ZINC000921668733 1128448597 /nfs/dbraw/zinc/44/85/97/1128448597.db2.gz JKUACCCKNLNHMI-FTNXOLCNSA-N 1 2 327.428 3.692 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115603569 1128453629 /nfs/dbraw/zinc/45/36/29/1128453629.db2.gz VSVIHNHPDGSEKC-NWDGAFQWSA-N 1 2 345.809 3.867 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155743021 1128469457 /nfs/dbraw/zinc/46/94/57/1128469457.db2.gz HJDKNXYMRTZDJH-VXGBXAGGSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155743021 1128469459 /nfs/dbraw/zinc/46/94/59/1128469459.db2.gz HJDKNXYMRTZDJH-VXGBXAGGSA-N 1 2 334.407 3.941 20 0 EHADLO CCOc1cc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)ccc1OC ZINC000347641343 1128504667 /nfs/dbraw/zinc/50/46/67/1128504667.db2.gz LZAASXMUSWRQIH-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CCOc1cc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)ccc1OC ZINC000347641343 1128504669 /nfs/dbraw/zinc/50/46/69/1128504669.db2.gz LZAASXMUSWRQIH-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CSCC(C)(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000282296276 1128513040 /nfs/dbraw/zinc/51/30/40/1128513040.db2.gz ZMNFUTBVBSZWLJ-LBPRGKRZSA-N 1 2 341.546 3.703 20 0 EHADLO CSCC(C)(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000282296276 1128513044 /nfs/dbraw/zinc/51/30/44/1128513044.db2.gz ZMNFUTBVBSZWLJ-LBPRGKRZSA-N 1 2 341.546 3.703 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)c2ccccc2c1 ZINC000338687135 1128538761 /nfs/dbraw/zinc/53/87/61/1128538761.db2.gz LXNZRCJEAWRETO-UHFFFAOYSA-N 1 2 349.409 3.904 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1OCC(F)(F)F ZINC000542702882 1128548895 /nfs/dbraw/zinc/54/88/95/1128548895.db2.gz YAJSISTZUVJCSV-UHFFFAOYSA-N 1 2 347.352 3.912 20 0 EHADLO Fc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1OCC(F)(F)F ZINC000542702882 1128548901 /nfs/dbraw/zinc/54/89/01/1128548901.db2.gz YAJSISTZUVJCSV-UHFFFAOYSA-N 1 2 347.352 3.912 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1C ZINC000542709851 1128552949 /nfs/dbraw/zinc/55/29/49/1128552949.db2.gz INLMMEYLRCZCLX-UHFFFAOYSA-N 1 2 337.460 3.566 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1C ZINC000542709851 1128552952 /nfs/dbraw/zinc/55/29/52/1128552952.db2.gz INLMMEYLRCZCLX-UHFFFAOYSA-N 1 2 337.460 3.566 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(Cl)cc1 ZINC000056516378 1128562664 /nfs/dbraw/zinc/56/26/64/1128562664.db2.gz VPLHDQAZGSAFRJ-UHFFFAOYSA-N 1 2 326.787 3.847 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001168641769 1128565988 /nfs/dbraw/zinc/56/59/88/1128565988.db2.gz BJGDILNQOXWLGL-SZNDQCEHSA-N 1 2 343.279 3.598 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC3(Cc4cccc(Cl)c4)CC3)ccn12 ZINC001272839953 1128576916 /nfs/dbraw/zinc/57/69/16/1128576916.db2.gz GIXFUSMGZULKRU-UHFFFAOYSA-N 1 2 339.826 3.801 20 0 EHADLO C[C@@H]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000542850144 1128689915 /nfs/dbraw/zinc/68/99/15/1128689915.db2.gz IBMBKAHOVOEEIZ-OXQOHEQNSA-N 1 2 338.455 3.594 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000303835400 1128700814 /nfs/dbraw/zinc/70/08/14/1128700814.db2.gz CEFKXFASAYCIPD-HKUYNNGSSA-N 1 2 344.499 3.556 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(Cl)ccc1N ZINC001212433814 1128715546 /nfs/dbraw/zinc/71/55/46/1128715546.db2.gz ITTASYPHYXPUNJ-UHFFFAOYSA-N 1 2 343.818 3.818 20 0 EHADLO COc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1F ZINC000060462998 1128731769 /nfs/dbraw/zinc/73/17/69/1128731769.db2.gz KUZVUFGVJOTPAE-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO COc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1F ZINC000060462998 1128731771 /nfs/dbraw/zinc/73/17/71/1128731771.db2.gz KUZVUFGVJOTPAE-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)c(F)cc1F ZINC000354484679 1128750303 /nfs/dbraw/zinc/75/03/03/1128750303.db2.gz YWALHWJTXZHKGC-UHFFFAOYSA-N 1 2 348.378 3.691 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)c(F)cc1F ZINC000354484679 1128750305 /nfs/dbraw/zinc/75/03/05/1128750305.db2.gz YWALHWJTXZHKGC-UHFFFAOYSA-N 1 2 348.378 3.691 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000354548960 1128753069 /nfs/dbraw/zinc/75/30/69/1128753069.db2.gz IWRGVQTXHVYVRG-UHFFFAOYSA-N 1 2 329.444 3.995 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000354548960 1128753073 /nfs/dbraw/zinc/75/30/73/1128753073.db2.gz IWRGVQTXHVYVRG-UHFFFAOYSA-N 1 2 329.444 3.995 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1OCCc1ccccc1 ZINC000354577251 1128756053 /nfs/dbraw/zinc/75/60/53/1128756053.db2.gz XAFJWJMDYLSZEU-UHFFFAOYSA-N 1 2 335.407 3.603 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1OCCc1ccccc1 ZINC000354577251 1128756054 /nfs/dbraw/zinc/75/60/54/1128756054.db2.gz XAFJWJMDYLSZEU-UHFFFAOYSA-N 1 2 335.407 3.603 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000265756273 1128776827 /nfs/dbraw/zinc/77/68/27/1128776827.db2.gz IYZNIYFTJYXJTE-IINYFYTJSA-N 1 2 335.860 3.561 20 0 EHADLO C[C@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccccc1OC(F)F ZINC001168677932 1128796324 /nfs/dbraw/zinc/79/63/24/1128796324.db2.gz QKZJWWGTELXYCX-NSHDSACASA-N 1 2 344.365 3.664 20 0 EHADLO COc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(C)c1 ZINC000547092012 1128827580 /nfs/dbraw/zinc/82/75/80/1128827580.db2.gz KSJXMNBYOPPPQD-UHFFFAOYSA-N 1 2 334.379 3.601 20 0 EHADLO CC[N@H+](Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1Cl ZINC000929253803 1128867285 /nfs/dbraw/zinc/86/72/85/1128867285.db2.gz FGXXVJYVTGYKTL-UHFFFAOYSA-N 1 2 347.871 3.740 20 0 EHADLO CC[N@@H+](Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1Cl ZINC000929253803 1128867290 /nfs/dbraw/zinc/86/72/90/1128867290.db2.gz FGXXVJYVTGYKTL-UHFFFAOYSA-N 1 2 347.871 3.740 20 0 EHADLO COc1c[nH+]c(N[C@H]2CCC(F)(F)C2)nc1N[C@@H]1CCC(F)(F)C1 ZINC000672238116 1128871832 /nfs/dbraw/zinc/87/18/32/1128871832.db2.gz XEJFHEAIGFHPRH-ZJUUUORDSA-N 1 2 348.344 3.685 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H]3CCCC3(F)F)ccc21 ZINC001670370700 1120042350 /nfs/dbraw/zinc/04/23/50/1120042350.db2.gz FDCPWMKBDOXLCQ-CQSZACIVSA-N 1 2 334.370 3.610 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCC(Nc3ccccc3)CC2)c1C ZINC000110030888 1120132429 /nfs/dbraw/zinc/13/24/29/1120132429.db2.gz LBNLEMLOYNIZNF-UHFFFAOYSA-N 1 2 325.456 3.784 20 0 EHADLO O=C(Nc1cccc(Cl)c1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110038464 1120132449 /nfs/dbraw/zinc/13/24/49/1120132449.db2.gz PFLNADOFQKNTLQ-KRWDZBQOSA-N 1 2 329.831 3.728 20 0 EHADLO O=C(Nc1cccc(Cl)c1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110038464 1120132451 /nfs/dbraw/zinc/13/24/51/1120132451.db2.gz PFLNADOFQKNTLQ-KRWDZBQOSA-N 1 2 329.831 3.728 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000128479389 1120140045 /nfs/dbraw/zinc/14/00/45/1120140045.db2.gz OVFUEGBXQZUFFK-UHFFFAOYSA-N 1 2 333.815 3.800 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000354985005 1128893142 /nfs/dbraw/zinc/89/31/42/1128893142.db2.gz XHDJMVHMKJMBBE-OAHLLOKOSA-N 1 2 349.360 3.659 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000354985005 1128893145 /nfs/dbraw/zinc/89/31/45/1128893145.db2.gz XHDJMVHMKJMBBE-OAHLLOKOSA-N 1 2 349.360 3.659 20 0 EHADLO COCc1csc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c1 ZINC000668276576 1120350148 /nfs/dbraw/zinc/35/01/48/1120350148.db2.gz QXHOEWYZPOJUDF-ACJLOTCBSA-N 1 2 335.444 3.996 20 0 EHADLO COCc1csc(C[N@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c1 ZINC000668276576 1120350152 /nfs/dbraw/zinc/35/01/52/1120350152.db2.gz QXHOEWYZPOJUDF-ACJLOTCBSA-N 1 2 335.444 3.996 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000542476758 1120397572 /nfs/dbraw/zinc/39/75/72/1120397572.db2.gz TZBJYHSQSNQBST-HXUWFJFHSA-N 1 2 337.398 3.894 20 0 EHADLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000185295970 1120407792 /nfs/dbraw/zinc/40/77/92/1120407792.db2.gz QWVAESAGOXMUJC-OALUTQOASA-N 1 2 342.389 3.783 20 0 EHADLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000185295970 1120407795 /nfs/dbraw/zinc/40/77/95/1120407795.db2.gz QWVAESAGOXMUJC-OALUTQOASA-N 1 2 342.389 3.783 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185318037 1120408464 /nfs/dbraw/zinc/40/84/64/1120408464.db2.gz CFWIQUBBUPOYPJ-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185318037 1120408469 /nfs/dbraw/zinc/40/84/69/1120408469.db2.gz CFWIQUBBUPOYPJ-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1cnccn1 ZINC000494529745 1120584338 /nfs/dbraw/zinc/58/43/38/1120584338.db2.gz OIWGAUCOMGIVDN-RNCFNFMXSA-N 1 2 336.258 3.737 20 0 EHADLO Cn1ccc(-c2nc(CNc3c[nH+]ccc3OC(C)(C)C)cs2)n1 ZINC000921929999 1128927006 /nfs/dbraw/zinc/92/70/06/1128927006.db2.gz PRVJYVMEXHGXGL-UHFFFAOYSA-N 1 2 343.456 3.728 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nccs1 ZINC000190450000 1120638899 /nfs/dbraw/zinc/63/88/99/1120638899.db2.gz DIAFWIQGHAHOQV-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(C)n1C1CC1 ZINC000494667231 1120716440 /nfs/dbraw/zinc/71/64/40/1120716440.db2.gz NQTRJOKZOQDIHL-SFHVURJKSA-N 1 2 330.472 3.514 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c(C)n1C1CC1 ZINC000494667231 1120716446 /nfs/dbraw/zinc/71/64/46/1120716446.db2.gz NQTRJOKZOQDIHL-SFHVURJKSA-N 1 2 330.472 3.514 20 0 EHADLO COc1ccc(N(Cc2ccccc2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000356000117 1128942524 /nfs/dbraw/zinc/94/25/24/1128942524.db2.gz NCKQUUJQUCWIEK-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO COc1ccc(N(Cc2ccccc2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000356000117 1128942525 /nfs/dbraw/zinc/94/25/25/1128942525.db2.gz NCKQUUJQUCWIEK-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO CCCOc1cccc2c(NCCCOC[C@H]3CCOC3)cc[nH+]c12 ZINC000194719767 1120857057 /nfs/dbraw/zinc/85/70/57/1120857057.db2.gz NDSMOKQKSDJBRD-MRXNPFEDSA-N 1 2 344.455 3.879 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653908241 1120860236 /nfs/dbraw/zinc/86/02/36/1120860236.db2.gz IHMYSIYVJBHGKO-QGZVFWFLSA-N 1 2 344.499 3.920 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653908241 1120860241 /nfs/dbraw/zinc/86/02/41/1120860241.db2.gz IHMYSIYVJBHGKO-QGZVFWFLSA-N 1 2 344.499 3.920 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+](CCC(C)C)C2CC2)c(=S)n1C ZINC000914566872 1120902478 /nfs/dbraw/zinc/90/24/78/1120902478.db2.gz OSIAMFYWWHEZSJ-UHFFFAOYSA-N 1 2 334.489 3.988 20 0 EHADLO Cc1occc1-c1nn(C[N@H+](CCC(C)C)C2CC2)c(=S)n1C ZINC000914566872 1120902483 /nfs/dbraw/zinc/90/24/83/1120902483.db2.gz OSIAMFYWWHEZSJ-UHFFFAOYSA-N 1 2 334.489 3.988 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@H+](C/C=C\c3ccncc3)CCO2)cc1 ZINC000494933154 1120904623 /nfs/dbraw/zinc/90/46/23/1120904623.db2.gz FHHIDNBNPTXQNG-QFRLHKFZSA-N 1 2 346.377 3.770 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@@H+](C/C=C\c3ccncc3)CCO2)cc1 ZINC000494933154 1120904627 /nfs/dbraw/zinc/90/46/27/1120904627.db2.gz FHHIDNBNPTXQNG-QFRLHKFZSA-N 1 2 346.377 3.770 20 0 EHADLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000494977583 1120925585 /nfs/dbraw/zinc/92/55/85/1120925585.db2.gz HQQRMJJJNTWDIO-UHFFFAOYSA-N 1 2 346.858 3.767 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000494995216 1120928602 /nfs/dbraw/zinc/92/86/02/1120928602.db2.gz LMYJYXDJXKEOAJ-BDVYOWHSSA-N 1 2 334.508 4.000 20 0 EHADLO CCCCn1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000495095941 1120951690 /nfs/dbraw/zinc/95/16/90/1120951690.db2.gz YTTLFEQEKMNHHZ-QGZVFWFLSA-N 1 2 330.480 3.521 20 0 EHADLO c1coc(C[NH+]2CCN(Cc3csc(-c4cccs4)n3)CC2)c1 ZINC000053440079 1120983973 /nfs/dbraw/zinc/98/39/73/1120983973.db2.gz XBRMQUKZJBZVGR-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO O=C(CCc1cc(F)ccc1F)Nc1ccccc1-n1cc[nH+]c1 ZINC000053460283 1121004476 /nfs/dbraw/zinc/00/44/76/1121004476.db2.gz JBWDBJPDVCWUNE-UHFFFAOYSA-N 1 2 327.334 3.722 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000762145038 1121125962 /nfs/dbraw/zinc/12/59/62/1121125962.db2.gz SDGPDDXNWBSNFX-ZDUSSCGKSA-N 1 2 346.475 3.979 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000762145038 1121125966 /nfs/dbraw/zinc/12/59/66/1121125966.db2.gz SDGPDDXNWBSNFX-ZDUSSCGKSA-N 1 2 346.475 3.979 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1ccncc1 ZINC000762138770 1121126039 /nfs/dbraw/zinc/12/60/39/1121126039.db2.gz MNXWPEQIGVUYAI-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1ccncc1 ZINC000762138770 1121126040 /nfs/dbraw/zinc/12/60/40/1121126040.db2.gz MNXWPEQIGVUYAI-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1-c1ccccc1 ZINC000762140901 1121127130 /nfs/dbraw/zinc/12/71/30/1121127130.db2.gz WYYLEGOEUAHCGX-AWEZNQCLSA-N 1 2 328.485 3.934 20 0 EHADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1-c1ccccc1 ZINC000762140901 1121127132 /nfs/dbraw/zinc/12/71/32/1121127132.db2.gz WYYLEGOEUAHCGX-AWEZNQCLSA-N 1 2 328.485 3.934 20 0 EHADLO CCC1(CC)CN(C[NH+]2CCC(c3ncc(C)s3)CC2)C(=O)O1 ZINC000762159553 1121135067 /nfs/dbraw/zinc/13/50/67/1121135067.db2.gz YBWINADDWCCTPJ-UHFFFAOYSA-N 1 2 337.489 3.599 20 0 EHADLO Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c(N(C)C)[nH+]1 ZINC000750527787 1121145181 /nfs/dbraw/zinc/14/51/81/1121145181.db2.gz FCGPQIUEHGMANL-UHFFFAOYSA-N 1 2 345.830 3.711 20 0 EHADLO O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000303726177 1121176718 /nfs/dbraw/zinc/17/67/18/1121176718.db2.gz SXPSMAUCAQEXTB-UHFFFAOYSA-N 1 2 349.438 3.971 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153524749 1121264114 /nfs/dbraw/zinc/26/41/14/1121264114.db2.gz ZULTUAUEXFPAMJ-CYBMUJFWSA-N 1 2 346.500 3.694 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153524749 1121264119 /nfs/dbraw/zinc/26/41/19/1121264119.db2.gz ZULTUAUEXFPAMJ-CYBMUJFWSA-N 1 2 346.500 3.694 20 0 EHADLO CN(C)c1cc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc[nH+]1 ZINC000762467559 1121313530 /nfs/dbraw/zinc/31/35/30/1121313530.db2.gz MREIBULWSOEGGY-HJWRWDBZSA-N 1 2 337.452 3.728 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000762476551 1121320763 /nfs/dbraw/zinc/32/07/63/1121320763.db2.gz HFDHDKBIKLIWAD-ZDUSSCGKSA-N 1 2 327.255 3.641 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000762476551 1121320771 /nfs/dbraw/zinc/32/07/71/1121320771.db2.gz HFDHDKBIKLIWAD-ZDUSSCGKSA-N 1 2 327.255 3.641 20 0 EHADLO Fc1ccc([C@@H]2CCCC[N@@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762498027 1121326773 /nfs/dbraw/zinc/32/67/73/1121326773.db2.gz LXLLSOJRSNMSBT-SFHVURJKSA-N 1 2 337.402 3.664 20 0 EHADLO Fc1ccc([C@@H]2CCCC[N@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762498027 1121326779 /nfs/dbraw/zinc/32/67/79/1121326779.db2.gz LXLLSOJRSNMSBT-SFHVURJKSA-N 1 2 337.402 3.664 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000499542748 1128981700 /nfs/dbraw/zinc/98/17/00/1128981700.db2.gz FJDSITLADPERHP-SCCNAQOGSA-N 1 2 341.426 3.620 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1Br ZINC000315895683 1121518741 /nfs/dbraw/zinc/51/87/41/1121518741.db2.gz BWPKKGWXHJOMOC-JTQLQIEISA-N 1 2 338.167 3.929 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1Br ZINC000315895683 1121518747 /nfs/dbraw/zinc/51/87/47/1121518747.db2.gz BWPKKGWXHJOMOC-JTQLQIEISA-N 1 2 338.167 3.929 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1scnc1C1CC1 ZINC000762980530 1121638816 /nfs/dbraw/zinc/63/88/16/1121638816.db2.gz IZMPFKUKOREEKY-UHFFFAOYSA-N 1 2 339.424 3.528 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@H]1F ZINC001235589945 1121645758 /nfs/dbraw/zinc/64/57/58/1121645758.db2.gz GLMGCSAABLAPFH-VXGBXAGGSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@H]1F ZINC001235589945 1121645762 /nfs/dbraw/zinc/64/57/62/1121645762.db2.gz GLMGCSAABLAPFH-VXGBXAGGSA-N 1 2 326.626 3.942 20 0 EHADLO C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000062370845 1121708890 /nfs/dbraw/zinc/70/88/90/1121708890.db2.gz WMCAKXUSHNWZEL-MLGOLLRUSA-N 1 2 338.854 3.778 20 0 EHADLO Fc1cccc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c12 ZINC000054057787 1121734127 /nfs/dbraw/zinc/73/41/27/1121734127.db2.gz GJZMFBAZWOPTPE-UHFFFAOYSA-N 1 2 333.370 3.626 20 0 EHADLO O=C(CCc1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695978 1121857535 /nfs/dbraw/zinc/85/75/35/1121857535.db2.gz NRQUMNNFKSCCGO-UHFFFAOYSA-N 1 2 339.826 3.775 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(C)(C)C2CCCCC2)C1 ZINC000444135818 1121874515 /nfs/dbraw/zinc/87/45/15/1121874515.db2.gz ZIHIGKLZGAVKQL-INIZCTEOSA-N 1 2 346.519 3.916 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cc(Cl)sc3[nH]2)C1 ZINC000358001522 1129019878 /nfs/dbraw/zinc/01/98/78/1129019878.db2.gz JDXHOSQQFPUQKA-JTQLQIEISA-N 1 2 348.859 3.636 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc2sc3ccccc3n12 ZINC000763330291 1121960649 /nfs/dbraw/zinc/96/06/49/1121960649.db2.gz CHUPPGLQKBBXNL-GFCCVEGCSA-N 1 2 330.482 3.769 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nc2sc3ccccc3n12 ZINC000763330291 1121960652 /nfs/dbraw/zinc/96/06/52/1121960652.db2.gz CHUPPGLQKBBXNL-GFCCVEGCSA-N 1 2 330.482 3.769 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332406 1121962694 /nfs/dbraw/zinc/96/26/94/1121962694.db2.gz LIEJOMRRUOSXSE-HNNXBMFYSA-N 1 2 346.475 3.929 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332406 1121962696 /nfs/dbraw/zinc/96/26/96/1121962696.db2.gz LIEJOMRRUOSXSE-HNNXBMFYSA-N 1 2 346.475 3.929 20 0 EHADLO S=c1oc(CCc2ccccc2)nn1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763335045 1121967263 /nfs/dbraw/zinc/96/72/63/1121967263.db2.gz XUCKHVJRFGMQDO-INIZCTEOSA-N 1 2 329.469 3.680 20 0 EHADLO S=c1oc(CCc2ccccc2)nn1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763335045 1121967274 /nfs/dbraw/zinc/96/72/74/1121967274.db2.gz XUCKHVJRFGMQDO-INIZCTEOSA-N 1 2 329.469 3.680 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cs1 ZINC000171783080 1121969688 /nfs/dbraw/zinc/96/96/88/1121969688.db2.gz HPLJIURAMNUYNG-NWDGAFQWSA-N 1 2 345.468 3.586 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000326596116 1121970244 /nfs/dbraw/zinc/97/02/44/1121970244.db2.gz DYKHWPBDIMQQTP-UHFFFAOYSA-N 1 2 343.492 3.545 20 0 EHADLO Cc1[nH]c(CNc2cccc3c2CCN3C(=O)OC(C)(C)C)[nH+]c1C ZINC000496148307 1121978735 /nfs/dbraw/zinc/97/87/35/1121978735.db2.gz CFIULXXKOYQKIT-UHFFFAOYSA-N 1 2 342.443 3.936 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000496180647 1121994445 /nfs/dbraw/zinc/99/44/45/1121994445.db2.gz IXVZCUBVZKJGCN-GFCCVEGCSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000496180647 1121994450 /nfs/dbraw/zinc/99/44/50/1121994450.db2.gz IXVZCUBVZKJGCN-GFCCVEGCSA-N 1 2 331.441 3.601 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cs1 ZINC000528846191 1122048173 /nfs/dbraw/zinc/04/81/73/1122048173.db2.gz HJUIOEBNHQOYRM-SJKOYZFVSA-N 1 2 347.484 3.885 20 0 EHADLO Cc1ccccc1OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000916143914 1122071595 /nfs/dbraw/zinc/07/15/95/1122071595.db2.gz KAOHSQBDGBKKTQ-XFFZJAGNSA-N 1 2 336.479 3.705 20 0 EHADLO Cn1c(C[NH2+]Cc2nccc3c2CCCC3)nc2cc(Cl)ccc21 ZINC000922017321 1129029706 /nfs/dbraw/zinc/02/97/06/1129029706.db2.gz VKHYDPHKAJHOGU-UHFFFAOYSA-N 1 2 340.858 3.790 20 0 EHADLO O=C(OCc1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916295173 1122120358 /nfs/dbraw/zinc/12/03/58/1122120358.db2.gz LIMZAJMYHOMOHI-UHFFFAOYSA-N 1 2 326.783 3.942 20 0 EHADLO CCCOc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000916337280 1122130605 /nfs/dbraw/zinc/13/06/05/1122130605.db2.gz FYDQMYKBRZLKMQ-UHFFFAOYSA-N 1 2 336.391 3.939 20 0 EHADLO O=C(Oc1ccc(Cl)cc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916371916 1122133695 /nfs/dbraw/zinc/13/36/95/1122133695.db2.gz ODQSNNBHUNCHCZ-UHFFFAOYSA-N 1 2 330.746 3.943 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCc2ccccc2C1 ZINC000496723623 1122160798 /nfs/dbraw/zinc/16/07/98/1122160798.db2.gz PAFJTNMTLLIIHW-UHFFFAOYSA-N 1 2 332.403 3.974 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000916669570 1122252782 /nfs/dbraw/zinc/25/27/82/1122252782.db2.gz FACJJKAIGRHLDN-LBPRGKRZSA-N 1 2 349.504 3.874 20 0 EHADLO C[C@@H](C(=O)OCc1cncs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000154163077 1122342434 /nfs/dbraw/zinc/34/24/34/1122342434.db2.gz KKUYJMLIVXBHCV-HNNXBMFYSA-N 1 2 344.480 3.530 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cccc(C)n2)nnn1-c1cccc(Cl)c1 ZINC000127199973 1122468372 /nfs/dbraw/zinc/46/83/72/1122468372.db2.gz SNBLITRFQWUROC-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000917076920 1122473808 /nfs/dbraw/zinc/47/38/08/1122473808.db2.gz OHPZXYIJKNJAJC-MTNOOBJLSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000917076920 1122473811 /nfs/dbraw/zinc/47/38/11/1122473811.db2.gz OHPZXYIJKNJAJC-MTNOOBJLSA-N 1 2 347.503 3.593 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000067127091 1122501515 /nfs/dbraw/zinc/50/15/15/1122501515.db2.gz KSOBPRHZFFKIAA-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000067127091 1122501517 /nfs/dbraw/zinc/50/15/17/1122501517.db2.gz KSOBPRHZFFKIAA-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000128110987 1122530168 /nfs/dbraw/zinc/53/01/68/1122530168.db2.gz GCGNLSXCERMFOL-INIZCTEOSA-N 1 2 333.435 3.544 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000128110987 1122530171 /nfs/dbraw/zinc/53/01/71/1122530171.db2.gz GCGNLSXCERMFOL-INIZCTEOSA-N 1 2 333.435 3.544 20 0 EHADLO CN(C)c1[nH+]cc(CSc2nnc(C(F)F)n2C)c2ccccc21 ZINC000917446877 1122609335 /nfs/dbraw/zinc/60/93/35/1122609335.db2.gz FMLGSGDQEIRFFN-UHFFFAOYSA-N 1 2 349.410 3.659 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000069069241 1122750002 /nfs/dbraw/zinc/75/00/02/1122750002.db2.gz ZLXHFKFBUUMZBW-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000069069241 1122750004 /nfs/dbraw/zinc/75/00/04/1122750004.db2.gz ZLXHFKFBUUMZBW-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C2CC2)n1 ZINC000152611384 1122761130 /nfs/dbraw/zinc/76/11/30/1122761130.db2.gz XKAAIXFJZLURLJ-FQEVSTJZSA-N 1 2 343.471 3.698 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000498334391 1122869899 /nfs/dbraw/zinc/86/98/99/1122869899.db2.gz ISXPFADJMVUZHU-SJORKVTESA-N 1 2 325.456 3.878 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000672848516 1129083828 /nfs/dbraw/zinc/08/38/28/1129083828.db2.gz TZTUOTKDIWKAFV-UHFFFAOYSA-N 1 2 342.395 3.647 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(C(=O)c3ccco3)c2)c(N(C)C)[nH+]1 ZINC001127452999 1122942148 /nfs/dbraw/zinc/94/21/48/1122942148.db2.gz MPFSIOUWKKWOJF-UHFFFAOYSA-N 1 2 349.390 3.532 20 0 EHADLO CCc1ccc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000130627112 1122975179 /nfs/dbraw/zinc/97/51/79/1122975179.db2.gz ADQFSLFQKPSASV-PKOBYXMFSA-N 1 2 325.456 3.521 20 0 EHADLO C[N@@H+]1CCN(CCCc2cccc(F)c2)C[C@@H]1Cc1ccccc1 ZINC000556505537 1123004002 /nfs/dbraw/zinc/00/40/02/1123004002.db2.gz KOYRQQBADKBKJP-NRFANRHFSA-N 1 2 326.459 3.617 20 0 EHADLO C[N@H+]1CCN(CCCc2cccc(F)c2)C[C@@H]1Cc1ccccc1 ZINC000556505537 1123004008 /nfs/dbraw/zinc/00/40/08/1123004008.db2.gz KOYRQQBADKBKJP-NRFANRHFSA-N 1 2 326.459 3.617 20 0 EHADLO CC[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1(C(=O)OC)CCC1 ZINC000498754881 1123057965 /nfs/dbraw/zinc/05/79/65/1123057965.db2.gz KXHJYKYZIPDALC-INIZCTEOSA-N 1 2 331.460 3.606 20 0 EHADLO O=C(Cn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000556672722 1123078613 /nfs/dbraw/zinc/07/86/13/1123078613.db2.gz QYYNELHNZRPOGY-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000131405163 1123099294 /nfs/dbraw/zinc/09/92/94/1123099294.db2.gz BPIXHPDCDGTQGQ-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000649211047 1123113065 /nfs/dbraw/zinc/11/30/65/1123113065.db2.gz AIWOWCZQVXZMGV-HOCLYGCPSA-N 1 2 343.496 3.823 20 0 EHADLO CCC[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@H]1CCCCO1 ZINC000072610775 1123129538 /nfs/dbraw/zinc/12/95/38/1123129538.db2.gz RAEIJHZAAKILLE-GOSISDBHSA-N 1 2 343.471 3.636 20 0 EHADLO CCC[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@H]1CCCCO1 ZINC000072610775 1123129541 /nfs/dbraw/zinc/12/95/41/1123129541.db2.gz RAEIJHZAAKILLE-GOSISDBHSA-N 1 2 343.471 3.636 20 0 EHADLO CCc1coc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000556805872 1123130785 /nfs/dbraw/zinc/13/07/85/1123130785.db2.gz OJTVQGRVPFIITE-UHFFFAOYSA-N 1 2 349.434 3.878 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)c2cccc(OC)c2)n1 ZINC000919757556 1123142782 /nfs/dbraw/zinc/14/27/82/1123142782.db2.gz WHEDJVGQFWFJFG-ZDUSSCGKSA-N 1 2 347.484 3.736 20 0 EHADLO Cc1cc(N)nc(SCc2c(-c3ccccc3)nc3ccccn32)[nH+]1 ZINC000073416100 1123201450 /nfs/dbraw/zinc/20/14/50/1123201450.db2.gz IJVIOXGBERNLAR-UHFFFAOYSA-N 1 2 347.447 3.974 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3ccsc3C2)c1C ZINC000132494817 1123238280 /nfs/dbraw/zinc/23/82/80/1123238280.db2.gz PYUHJFVXPKUGJF-CQSZACIVSA-N 1 2 346.496 3.615 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3ccsc3C2)c1C ZINC000132494817 1123238282 /nfs/dbraw/zinc/23/82/82/1123238282.db2.gz PYUHJFVXPKUGJF-CQSZACIVSA-N 1 2 346.496 3.615 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000919954691 1123245221 /nfs/dbraw/zinc/24/52/21/1123245221.db2.gz XOQMQSGCGWLATD-BGYRXZFFSA-N 1 2 348.446 3.570 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000919954691 1123245223 /nfs/dbraw/zinc/24/52/23/1123245223.db2.gz XOQMQSGCGWLATD-BGYRXZFFSA-N 1 2 348.446 3.570 20 0 EHADLO CC(C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000133388140 1123390954 /nfs/dbraw/zinc/39/09/54/1123390954.db2.gz XWRXZSVQNTUYSZ-SNRMKQJTSA-N 1 2 340.471 3.846 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH+]1CCN(c2cnccn2)CC1 ZINC000133751501 1123429685 /nfs/dbraw/zinc/42/96/85/1123429685.db2.gz UCADTAHKDBPDAV-MRXNPFEDSA-N 1 2 349.265 3.593 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868423 1123434616 /nfs/dbraw/zinc/43/46/16/1123434616.db2.gz WYZIRUZYMMQJSN-HUUCEWRRSA-N 1 2 332.488 3.810 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868423 1123434619 /nfs/dbraw/zinc/43/46/19/1123434619.db2.gz WYZIRUZYMMQJSN-HUUCEWRRSA-N 1 2 332.488 3.810 20 0 EHADLO O=C(/C=C/c1cccs1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000921088913 1123463884 /nfs/dbraw/zinc/46/38/84/1123463884.db2.gz SUIWYMBBNUZDNV-BQYQJAHWSA-N 1 2 339.420 3.676 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201172 1123478311 /nfs/dbraw/zinc/47/83/11/1123478311.db2.gz OHLCASYMKOUTKU-WMZOPIPTSA-N 1 2 326.444 3.640 20 0 EHADLO C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000921283935 1123512168 /nfs/dbraw/zinc/51/21/68/1123512168.db2.gz GTEJNXODAUHXBD-NTCAYCPXSA-N 1 2 335.382 3.731 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000077183875 1123537335 /nfs/dbraw/zinc/53/73/35/1123537335.db2.gz LFBOQOOANVXEOU-STQMWFEESA-N 1 2 346.368 3.619 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000077183875 1123537337 /nfs/dbraw/zinc/53/73/37/1123537337.db2.gz LFBOQOOANVXEOU-STQMWFEESA-N 1 2 346.368 3.619 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000135144734 1123586590 /nfs/dbraw/zinc/58/65/90/1123586590.db2.gz ODDXDYRYGTVLKN-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000135479933 1123620750 /nfs/dbraw/zinc/62/07/50/1123620750.db2.gz VDXWNRFFHBZQKO-NSHDSACASA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000135479933 1123620753 /nfs/dbraw/zinc/62/07/53/1123620753.db2.gz VDXWNRFFHBZQKO-NSHDSACASA-N 1 2 333.284 3.759 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2OC(F)F)oc1C ZINC000078544052 1123637575 /nfs/dbraw/zinc/63/75/75/1123637575.db2.gz CWDINZASWDJJBM-UHFFFAOYSA-N 1 2 339.338 3.608 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2OC(F)F)oc1C ZINC000078544052 1123637578 /nfs/dbraw/zinc/63/75/78/1123637578.db2.gz CWDINZASWDJJBM-UHFFFAOYSA-N 1 2 339.338 3.608 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266271 1123644116 /nfs/dbraw/zinc/64/41/16/1123644116.db2.gz HEKOJPMJUDRCIT-XLIONFOSSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266271 1123644119 /nfs/dbraw/zinc/64/41/19/1123644119.db2.gz HEKOJPMJUDRCIT-XLIONFOSSA-N 1 2 345.446 3.746 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000136163999 1123673318 /nfs/dbraw/zinc/67/33/18/1123673318.db2.gz JFIWMZQOZNSCQB-VQTJNVASSA-N 1 2 345.446 3.957 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000610000985 1123709746 /nfs/dbraw/zinc/70/97/46/1123709746.db2.gz KOZDFYKJMKDEIB-INIZCTEOSA-N 1 2 333.472 3.877 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(COc3ccccc3)c2)s1 ZINC000922138066 1129141685 /nfs/dbraw/zinc/14/16/85/1129141685.db2.gz SWRACAUHKQXTSF-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025790 1123745314 /nfs/dbraw/zinc/74/53/14/1123745314.db2.gz GDQJWHIVVVBJGY-AEFFLSMTSA-N 1 2 344.503 3.792 20 0 EHADLO COc1c(Br)c(C)sc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000080221120 1123747145 /nfs/dbraw/zinc/74/71/45/1123747145.db2.gz ZPODCNZULDTBQK-UHFFFAOYSA-N 1 2 341.230 3.783 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)c2ccc(Br)s2)cc[nH+]1 ZINC000080220820 1123747235 /nfs/dbraw/zinc/74/72/35/1123747235.db2.gz LUCDJBBXDLJULP-SECBINFHSA-N 1 2 325.231 3.956 20 0 EHADLO COc1cc2c(c(C[NH2+]C(C)(C)c3ncc(C)s3)c1)O[C@H](C)C2 ZINC000080346292 1123751463 /nfs/dbraw/zinc/75/14/63/1123751463.db2.gz HIOMALRMVIFATC-LLVKDONJSA-N 1 2 332.469 3.808 20 0 EHADLO COc1cccc(N2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000615453591 1123802827 /nfs/dbraw/zinc/80/28/27/1123802827.db2.gz DXCTUJZIRAQXSQ-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245463323 1123839846 /nfs/dbraw/zinc/83/98/46/1123839846.db2.gz XHUYISONYFXSGM-IUODEOHRSA-N 1 2 337.261 3.652 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245463323 1123839850 /nfs/dbraw/zinc/83/98/50/1123839850.db2.gz XHUYISONYFXSGM-IUODEOHRSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@H](CC(=O)N(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000615813692 1123886230 /nfs/dbraw/zinc/88/62/30/1123886230.db2.gz NTEASDIIWHDSJY-NEPJUHHUSA-N 1 2 345.834 3.584 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000616192985 1123960479 /nfs/dbraw/zinc/96/04/79/1123960479.db2.gz RDYRRRWLHLATGQ-ZHALLVOQSA-N 1 2 335.451 3.668 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000180645505 1124037494 /nfs/dbraw/zinc/03/74/94/1124037494.db2.gz KSMJETUHKNMIGH-GUYCJALGSA-N 1 2 344.459 3.635 20 0 EHADLO C[C@H]1CSc2ccccc2N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000616827680 1124041557 /nfs/dbraw/zinc/04/15/57/1124041557.db2.gz KZMJEDVLLNVACY-CQSZACIVSA-N 1 2 341.480 3.537 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000543052932 1129166110 /nfs/dbraw/zinc/16/61/10/1129166110.db2.gz RCQCEPITFCAJQQ-LLVKDONJSA-N 1 2 342.830 3.797 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000543063166 1129177313 /nfs/dbraw/zinc/17/73/13/1129177313.db2.gz LIYPEEURBYRSFI-AWEZNQCLSA-N 1 2 328.460 3.721 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccs1 ZINC000247685916 1124622658 /nfs/dbraw/zinc/62/26/58/1124622658.db2.gz UZZTWXQWCFHCEM-QLFBSQMISA-N 1 2 332.469 3.992 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccs1 ZINC000247685916 1124622659 /nfs/dbraw/zinc/62/26/59/1124622659.db2.gz UZZTWXQWCFHCEM-QLFBSQMISA-N 1 2 332.469 3.992 20 0 EHADLO Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353493781 1124687142 /nfs/dbraw/zinc/68/71/42/1124687142.db2.gz VNQMIJQOGYUXBU-OAHLLOKOSA-N 1 2 334.261 3.956 20 0 EHADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(Br)cc1Cl ZINC000248851474 1124708456 /nfs/dbraw/zinc/70/84/56/1124708456.db2.gz UHIDBYPBAHNHGU-DDFAGTSDSA-N 1 2 332.669 3.836 20 0 EHADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000248851474 1124708460 /nfs/dbraw/zinc/70/84/60/1124708460.db2.gz UHIDBYPBAHNHGU-DDFAGTSDSA-N 1 2 332.669 3.836 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000617664734 1124714790 /nfs/dbraw/zinc/71/47/90/1124714790.db2.gz OUYFMQBXXNGSBJ-VQFNDLOPSA-N 1 2 325.456 3.734 20 0 EHADLO Fc1c(F)c(F)c(C[NH+]2CCc3ccccc3CC2)c(F)c1F ZINC000734835592 1131284644 /nfs/dbraw/zinc/28/46/44/1131284644.db2.gz ANDQKBFFPVOSQK-UHFFFAOYSA-N 1 2 327.296 3.983 20 0 EHADLO COc1cccc2cc(C[NH2+][C@H](CO)c3c(F)cccc3F)oc21 ZINC000734847774 1131285190 /nfs/dbraw/zinc/28/51/90/1131285190.db2.gz UIYLKRFQKMWKCL-OAHLLOKOSA-N 1 2 333.334 3.543 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000735070916 1131306050 /nfs/dbraw/zinc/30/60/50/1131306050.db2.gz TWEFUYOZKROUNH-VQIMIIECSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000735070916 1131306056 /nfs/dbraw/zinc/30/60/56/1131306056.db2.gz TWEFUYOZKROUNH-VQIMIIECSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+](C)Cc2csc3ccccc23)C1=O ZINC000735070495 1131306344 /nfs/dbraw/zinc/30/63/44/1131306344.db2.gz PISOVPOVSRMRGZ-IBGZPJMESA-N 1 2 344.480 3.712 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2csc3ccccc23)C1=O ZINC000735070495 1131306350 /nfs/dbraw/zinc/30/63/50/1131306350.db2.gz PISOVPOVSRMRGZ-IBGZPJMESA-N 1 2 344.480 3.712 20 0 EHADLO CCc1ncsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002330 1124884830 /nfs/dbraw/zinc/88/48/30/1124884830.db2.gz ANRLMRBGUGMNNW-HUUCEWRRSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002330 1124884836 /nfs/dbraw/zinc/88/48/36/1124884836.db2.gz ANRLMRBGUGMNNW-HUUCEWRRSA-N 1 2 349.887 3.534 20 0 EHADLO COc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1F ZINC000090498994 1124915816 /nfs/dbraw/zinc/91/58/16/1124915816.db2.gz XJAHEUNQJUJJHD-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000069797425 1125062050 /nfs/dbraw/zinc/06/20/50/1125062050.db2.gz PYACGSRHVLGHKD-UHFFFAOYSA-N 1 2 328.485 3.970 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000069797425 1125062053 /nfs/dbraw/zinc/06/20/53/1125062053.db2.gz PYACGSRHVLGHKD-UHFFFAOYSA-N 1 2 328.485 3.970 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182054159 1125140946 /nfs/dbraw/zinc/14/09/46/1125140946.db2.gz ZCSDKOSITVBYAF-LLVKDONJSA-N 1 2 345.345 3.970 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182054159 1125140950 /nfs/dbraw/zinc/14/09/50/1125140950.db2.gz ZCSDKOSITVBYAF-LLVKDONJSA-N 1 2 345.345 3.970 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCS[C@H](C)CC3)nc(=O)c2c1C ZINC000253587639 1125174622 /nfs/dbraw/zinc/17/46/22/1125174622.db2.gz GJVZEVIJNCLPEP-MWLCHTKSSA-N 1 2 337.514 3.902 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+]3CCS[C@H](C)CC3)nc(=O)c2c1C ZINC000253587639 1125174626 /nfs/dbraw/zinc/17/46/26/1125174626.db2.gz GJVZEVIJNCLPEP-MWLCHTKSSA-N 1 2 337.514 3.902 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263936379 1125231386 /nfs/dbraw/zinc/23/13/86/1125231386.db2.gz FFOGULWBZPZJBF-BLLLJJGKSA-N 1 2 344.846 3.640 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000615333793 1125350465 /nfs/dbraw/zinc/35/04/65/1125350465.db2.gz FVPYFDLPMVSCJN-UONOGXRCSA-N 1 2 332.394 3.629 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254964128 1125355955 /nfs/dbraw/zinc/35/59/55/1125355955.db2.gz PWXCOZJGPNXRED-NSDNCLLMSA-N 1 2 346.434 3.890 20 0 EHADLO CC(C)Oc1cccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000254977123 1125357378 /nfs/dbraw/zinc/35/73/78/1125357378.db2.gz GTJMOBONOSSPKI-SREVYHEPSA-N 1 2 339.439 3.547 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152696415 1125370377 /nfs/dbraw/zinc/37/03/77/1125370377.db2.gz WYIMSSYYVAXAMP-FUHWJXTLSA-N 1 2 331.504 3.947 20 0 EHADLO CC[C@@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000152733537 1125373522 /nfs/dbraw/zinc/37/35/22/1125373522.db2.gz VFBOKVLIUYQCNX-INIZCTEOSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1n[nH]c(C)c1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000152876094 1125391354 /nfs/dbraw/zinc/39/13/54/1125391354.db2.gz LYAOWRWCTBMLKO-OAHLLOKOSA-N 1 2 332.879 3.559 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000619953105 1125443582 /nfs/dbraw/zinc/44/35/82/1125443582.db2.gz BUWLBRQACBJUMR-XNJGSVPQSA-N 1 2 338.879 3.721 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)c(Cl)c1 ZINC000619973589 1125444480 /nfs/dbraw/zinc/44/44/80/1125444480.db2.gz CAPDDYUDBCWLJM-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000682534693 1129220211 /nfs/dbraw/zinc/22/02/11/1129220211.db2.gz VOPMNBFZCPTAKV-IYWMVGAKSA-N 1 2 349.478 3.630 20 0 EHADLO CC[C@H](C)c1ncc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cn1 ZINC001626071016 1129304384 /nfs/dbraw/zinc/30/43/84/1129304384.db2.gz ZBNIBYKVRIZYLS-AWEZNQCLSA-N 1 2 347.422 3.803 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)cc1C ZINC000068364342 1129365352 /nfs/dbraw/zinc/36/53/52/1129365352.db2.gz UYHGJLIQHDZCMU-IBGZPJMESA-N 1 2 340.471 3.827 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1Cl ZINC000922217551 1129370120 /nfs/dbraw/zinc/37/01/20/1129370120.db2.gz NREXLNRFJDSATG-ZDUSSCGKSA-N 1 2 337.826 3.913 20 0 EHADLO O=C(CCc1ccccc1F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069626621 1129468875 /nfs/dbraw/zinc/46/88/75/1129468875.db2.gz XIFICNNQGTYTFF-UHFFFAOYSA-N 1 2 347.459 3.839 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347714529 1129479422 /nfs/dbraw/zinc/47/94/22/1129479422.db2.gz DPJLNZITTBTIRC-AWEZNQCLSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347714529 1129479424 /nfs/dbraw/zinc/47/94/24/1129479424.db2.gz DPJLNZITTBTIRC-AWEZNQCLSA-N 1 2 341.842 3.851 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143618302 1129517487 /nfs/dbraw/zinc/51/74/87/1129517487.db2.gz PYQUAVADXYMOGX-UHFFFAOYSA-N 1 2 331.790 3.783 20 0 EHADLO c1onc(Cc2ccccc2)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922470873 1129541168 /nfs/dbraw/zinc/54/11/68/1129541168.db2.gz BBOTXIODAYYLQZ-UHFFFAOYSA-N 1 2 325.437 3.500 20 0 EHADLO CCN(C(=O)C[NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000922476725 1129546471 /nfs/dbraw/zinc/54/64/71/1129546471.db2.gz IXVLMNMUPUHBKT-UHFFFAOYSA-N 1 2 331.485 3.583 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000922487149 1129549614 /nfs/dbraw/zinc/54/96/14/1129549614.db2.gz GBZQJXMOSIYMRI-UHFFFAOYSA-N 1 2 347.381 3.652 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)o1 ZINC000922526003 1129562787 /nfs/dbraw/zinc/56/27/87/1129562787.db2.gz OYCHEIWQPGNYSE-RDTXWAMCSA-N 1 2 327.359 3.540 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC(C)C ZINC000922582870 1129582036 /nfs/dbraw/zinc/58/20/36/1129582036.db2.gz OHJKXOJBGUAFSS-GOSISDBHSA-N 1 2 327.428 3.513 20 0 EHADLO COc1ccc(Cl)c(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954049 1129591780 /nfs/dbraw/zinc/59/17/80/1129591780.db2.gz XBDKZXUMCDHDLX-OAHLLOKOSA-N 1 2 344.213 3.964 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001168730048 1129595384 /nfs/dbraw/zinc/59/53/84/1129595384.db2.gz LWEQYXLKWLYVNS-QGZVFWFLSA-N 1 2 346.883 3.849 20 0 EHADLO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(F)ccc1OC ZINC000922621104 1129598805 /nfs/dbraw/zinc/59/88/05/1129598805.db2.gz ILYFAIVEVZHWQR-ZDUSSCGKSA-N 1 2 345.340 3.834 20 0 EHADLO O=C(CCc1ccc(Cl)c(F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624937132 1129602813 /nfs/dbraw/zinc/60/28/13/1129602813.db2.gz LWURTZRXPIGAAN-UHFFFAOYSA-N 1 2 335.810 3.541 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@H]2CSCc3ccccc32)nn1 ZINC000673600800 1129607578 /nfs/dbraw/zinc/60/75/78/1129607578.db2.gz RZSGAMAUAFCODT-SFHVURJKSA-N 1 2 336.464 3.653 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc[nH]1)CC1(CCC1)O2 ZINC000922644373 1129610776 /nfs/dbraw/zinc/61/07/76/1129610776.db2.gz HOKVTMAUXXIJTI-ZDUSSCGKSA-N 1 2 348.244 3.708 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC000624953296 1129627386 /nfs/dbraw/zinc/62/73/86/1129627386.db2.gz FQJWQOWICXMSGW-LBPRGKRZSA-N 1 2 340.254 3.718 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000509008326 1129642258 /nfs/dbraw/zinc/64/22/58/1129642258.db2.gz WETDAXGJPKFQDZ-QGZVFWFLSA-N 1 2 328.412 3.922 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000509008326 1129642261 /nfs/dbraw/zinc/64/22/61/1129642261.db2.gz WETDAXGJPKFQDZ-QGZVFWFLSA-N 1 2 328.412 3.922 20 0 EHADLO C[C@@H]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001781 1129684557 /nfs/dbraw/zinc/68/45/57/1129684557.db2.gz WYCJLKCSZAFGMH-GDBMZVCRSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@@H]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001781 1129684559 /nfs/dbraw/zinc/68/45/59/1129684559.db2.gz WYCJLKCSZAFGMH-GDBMZVCRSA-N 1 2 349.906 3.528 20 0 EHADLO COc1cncc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000625090227 1129728377 /nfs/dbraw/zinc/72/83/77/1129728377.db2.gz QSBKHWMMFNIBIU-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1cncc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000625090227 1129728378 /nfs/dbraw/zinc/72/83/78/1129728378.db2.gz QSBKHWMMFNIBIU-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000429111435 1129777241 /nfs/dbraw/zinc/77/72/41/1129777241.db2.gz CJAHDVYGGGAQFS-CQSZACIVSA-N 1 2 349.406 3.654 20 0 EHADLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000429111435 1129777242 /nfs/dbraw/zinc/77/72/42/1129777242.db2.gz CJAHDVYGGGAQFS-CQSZACIVSA-N 1 2 349.406 3.654 20 0 EHADLO COc1cncc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)n1 ZINC000625236253 1129778774 /nfs/dbraw/zinc/77/87/74/1129778774.db2.gz CQQJQCJLAVURCL-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1cncc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)n1 ZINC000625236253 1129778778 /nfs/dbraw/zinc/77/87/78/1129778778.db2.gz CQQJQCJLAVURCL-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625258997 1129786700 /nfs/dbraw/zinc/78/67/00/1129786700.db2.gz CPKKANDSKODELX-LJQANCHMSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625258997 1129786702 /nfs/dbraw/zinc/78/67/02/1129786702.db2.gz CPKKANDSKODELX-LJQANCHMSA-N 1 2 338.382 3.572 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)NCCCCNc1cccc[nH+]1 ZINC000625281084 1129801544 /nfs/dbraw/zinc/80/15/44/1129801544.db2.gz ROCMWIDZSGLTOV-UHFFFAOYSA-N 1 2 325.403 3.606 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccncc1Br ZINC000625296933 1129810007 /nfs/dbraw/zinc/81/00/07/1129810007.db2.gz FQUZFVUYEXUXFM-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H](C)c3cccc(Cl)c3)[nH+]c12 ZINC000673724511 1129810763 /nfs/dbraw/zinc/81/07/63/1129810763.db2.gz DROQSUIZEWPACX-AWEZNQCLSA-N 1 2 341.842 3.759 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3cccc4ccccc43)[nH+]c12 ZINC000673723350 1129810949 /nfs/dbraw/zinc/81/09/49/1129810949.db2.gz BMZFWHRZLPHLAT-UHFFFAOYSA-N 1 2 343.430 3.697 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccncc2Br)C1 ZINC000625323706 1129831330 /nfs/dbraw/zinc/83/13/30/1129831330.db2.gz IZLZAWDGXYMRMO-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccncc2Br)C1 ZINC000625323706 1129831335 /nfs/dbraw/zinc/83/13/35/1129831335.db2.gz IZLZAWDGXYMRMO-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1cccn2cc(CCNc3ncnc4cc(Cl)ccc43)[nH+]c12 ZINC000673817462 1129863445 /nfs/dbraw/zinc/86/34/45/1129863445.db2.gz RTRMOQPGVVUDKV-UHFFFAOYSA-N 1 2 337.814 3.894 20 0 EHADLO Cc1cc(C)c(CN2CCc3[nH+]c[nH]c3C2)c(OCc2ccccc2)n1 ZINC000625435078 1129874492 /nfs/dbraw/zinc/87/44/92/1129874492.db2.gz MSKJRDSXXIUOTO-UHFFFAOYSA-N 1 2 348.450 3.559 20 0 EHADLO CC1(C)[C@H]([NH2+]Cc2noc(C3CCC3)n2)C[C@@H]1OCc1ccccc1 ZINC000625459164 1129886801 /nfs/dbraw/zinc/88/68/01/1129886801.db2.gz RZWAPXNWCGZPFH-SJORKVTESA-N 1 2 341.455 3.811 20 0 EHADLO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3ccon3)cc2)c1 ZINC000673886465 1129895520 /nfs/dbraw/zinc/89/55/20/1129895520.db2.gz WIJXDGZMNRJVMJ-UHFFFAOYSA-N 1 2 340.379 3.774 20 0 EHADLO Cc1ccccc1-c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000673897704 1129898893 /nfs/dbraw/zinc/89/88/93/1129898893.db2.gz LRGSAQAYXOCWHA-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO c1cn(CCOc2ccccc2N[C@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282489253 1129941703 /nfs/dbraw/zinc/94/17/03/1129941703.db2.gz MXBJZCFSRGXPPH-IBGZPJMESA-N 1 2 341.455 3.723 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673991426 1129942673 /nfs/dbraw/zinc/94/26/73/1129942673.db2.gz MOCYHQBIYNQCPI-AWEZNQCLSA-N 1 2 329.787 3.784 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008673 1129955442 /nfs/dbraw/zinc/95/54/42/1129955442.db2.gz AUZPJFNNNINVAT-KXBFYZLASA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008673 1129955444 /nfs/dbraw/zinc/95/54/44/1129955444.db2.gz AUZPJFNNNINVAT-KXBFYZLASA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010966 1129958728 /nfs/dbraw/zinc/95/87/28/1129958728.db2.gz CFHQNWQFXZBMJK-UGSOOPFHSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010966 1129958731 /nfs/dbraw/zinc/95/87/31/1129958731.db2.gz CFHQNWQFXZBMJK-UGSOOPFHSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625644232 1129966308 /nfs/dbraw/zinc/96/63/08/1129966308.db2.gz BMKNPFIKJXAESA-GMTAPVOTSA-N 1 2 332.341 3.515 20 0 EHADLO C/C(=C\C(=O)NCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000736195503 1131412018 /nfs/dbraw/zinc/41/20/18/1131412018.db2.gz NJBHRVJUOFDSNS-BUHFOSPRSA-N 1 2 329.831 3.757 20 0 EHADLO O[C@H](C[N@@H+]1CCSC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000187018075 1129992722 /nfs/dbraw/zinc/99/27/22/1129992722.db2.gz GGOVXTUYACWVIT-ZIAGYGMSSA-N 1 2 340.901 3.620 20 0 EHADLO O[C@H](C[N@H+]1CCSC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000187018075 1129992725 /nfs/dbraw/zinc/99/27/25/1129992725.db2.gz GGOVXTUYACWVIT-ZIAGYGMSSA-N 1 2 340.901 3.620 20 0 EHADLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000674079786 1129998924 /nfs/dbraw/zinc/99/89/24/1129998924.db2.gz WTHCCSYACBKNIZ-UHFFFAOYSA-N 1 2 340.389 3.540 20 0 EHADLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)NCC1CCCCC1 ZINC000429221766 1130012967 /nfs/dbraw/zinc/01/29/67/1130012967.db2.gz OMAFFWIPXOASPM-UHFFFAOYSA-N 1 2 349.906 3.611 20 0 EHADLO COc1ccccc1OCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000674246645 1130035975 /nfs/dbraw/zinc/03/59/75/1130035975.db2.gz GWAVDWQPSGRFTN-UHFFFAOYSA-N 1 2 326.318 3.990 20 0 EHADLO FC(F)(F)c1ccncc1C[NH2+]Cc1occc1Br ZINC000700799100 1130067243 /nfs/dbraw/zinc/06/72/43/1130067243.db2.gz SUYASYYAMSDSEB-UHFFFAOYSA-N 1 2 335.123 3.746 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC000625726795 1130068023 /nfs/dbraw/zinc/06/80/23/1130068023.db2.gz DEJTVNZZGQKVJW-UHFFFAOYSA-N 1 2 345.826 3.765 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC000625726795 1130068030 /nfs/dbraw/zinc/06/80/30/1130068030.db2.gz DEJTVNZZGQKVJW-UHFFFAOYSA-N 1 2 345.826 3.765 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001626099201 1130091437 /nfs/dbraw/zinc/09/14/37/1130091437.db2.gz KCJQDESSXWCTQI-OAHLLOKOSA-N 1 2 347.459 3.684 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001626099201 1130091442 /nfs/dbraw/zinc/09/14/42/1130091442.db2.gz KCJQDESSXWCTQI-OAHLLOKOSA-N 1 2 347.459 3.684 20 0 EHADLO Fc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000674468840 1130098317 /nfs/dbraw/zinc/09/83/17/1130098317.db2.gz MMAYEYIYPIXOGJ-QGZVFWFLSA-N 1 2 338.386 3.998 20 0 EHADLO Fc1ccc([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000674468840 1130098324 /nfs/dbraw/zinc/09/83/24/1130098324.db2.gz MMAYEYIYPIXOGJ-QGZVFWFLSA-N 1 2 338.386 3.998 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505451 1130111841 /nfs/dbraw/zinc/11/18/41/1130111841.db2.gz HPZNNNXKDKTVCO-UHFFFAOYSA-N 1 2 339.464 3.960 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505451 1130111842 /nfs/dbraw/zinc/11/18/42/1130111842.db2.gz HPZNNNXKDKTVCO-UHFFFAOYSA-N 1 2 339.464 3.960 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000674668409 1130168717 /nfs/dbraw/zinc/16/87/17/1130168717.db2.gz XNULCFBFPJOPCX-QGZVFWFLSA-N 1 2 331.485 3.748 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)cn1 ZINC000674869669 1130212265 /nfs/dbraw/zinc/21/22/65/1130212265.db2.gz YQEVFPMAASMFEY-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)cn1 ZINC000674869669 1130212270 /nfs/dbraw/zinc/21/22/70/1130212270.db2.gz YQEVFPMAASMFEY-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869685 1130212437 /nfs/dbraw/zinc/21/24/37/1130212437.db2.gz ZDOMPLKVHZSQQL-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869685 1130212442 /nfs/dbraw/zinc/21/24/42/1130212442.db2.gz ZDOMPLKVHZSQQL-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674940346 1130227945 /nfs/dbraw/zinc/22/79/45/1130227945.db2.gz LRMZLWCTEZNPLL-NJAFHUGGSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)[nH+]c12 ZINC000675107680 1130254919 /nfs/dbraw/zinc/25/49/19/1130254919.db2.gz ZBZDJAGSJHYMAA-JFIYKMOQSA-N 1 2 340.471 3.548 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675258051 1130299153 /nfs/dbraw/zinc/29/91/53/1130299153.db2.gz QCCUYVYEHKLWMO-QFBILLFUSA-N 1 2 325.456 3.805 20 0 EHADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321606 1130309875 /nfs/dbraw/zinc/30/98/75/1130309875.db2.gz BRDPAMKWFIHKIR-CABZTGNLSA-N 1 2 342.226 3.899 20 0 EHADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321606 1130309883 /nfs/dbraw/zinc/30/98/83/1130309883.db2.gz BRDPAMKWFIHKIR-CABZTGNLSA-N 1 2 342.226 3.899 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1SC(F)(F)F ZINC000766108191 1130321839 /nfs/dbraw/zinc/32/18/39/1130321839.db2.gz HGAZEQZBQBZSFI-WDEREUQCSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1SC(F)(F)F ZINC000766108191 1130321845 /nfs/dbraw/zinc/32/18/45/1130321845.db2.gz HGAZEQZBQBZSFI-WDEREUQCSA-N 1 2 335.391 3.916 20 0 EHADLO O=C1CC2(CC2)CN1C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001117940971 1130327208 /nfs/dbraw/zinc/32/72/08/1130327208.db2.gz XLUZGCUCVCZWEE-HNNXBMFYSA-N 1 2 349.272 3.556 20 0 EHADLO O=C1CC2(CC2)CN1C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001117940971 1130327212 /nfs/dbraw/zinc/32/72/12/1130327212.db2.gz XLUZGCUCVCZWEE-HNNXBMFYSA-N 1 2 349.272 3.556 20 0 EHADLO O=C(c1cc2cccc(F)c2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000041307654 1130331459 /nfs/dbraw/zinc/33/14/59/1130331459.db2.gz ZVHCELJWGHISEW-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO Cc1cnc(Cl)c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001212552612 1130369155 /nfs/dbraw/zinc/36/91/55/1130369155.db2.gz ANHVEVLDMBIETQ-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156473 1130375364 /nfs/dbraw/zinc/37/53/64/1130375364.db2.gz PDLBSQPVARAYKR-WJWCEJSTSA-N 1 2 343.515 3.947 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000675588616 1130430152 /nfs/dbraw/zinc/43/01/52/1130430152.db2.gz IDOAAUQUMFLVQH-MRXNPFEDSA-N 1 2 338.411 3.558 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(C3CC3)cs1)O[C@H](C)C2 ZINC000675763847 1130472241 /nfs/dbraw/zinc/47/22/41/1130472241.db2.gz YBRUJPCPJRMNBL-LLVKDONJSA-N 1 2 330.453 3.642 20 0 EHADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000676041137 1130523056 /nfs/dbraw/zinc/52/30/56/1130523056.db2.gz BNDCZSXWXBAKHR-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000676041137 1130523060 /nfs/dbraw/zinc/52/30/60/1130523060.db2.gz BNDCZSXWXBAKHR-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000706006562 1130551119 /nfs/dbraw/zinc/55/11/19/1130551119.db2.gz YDABOUJYWUGOLR-GDIGMMSISA-N 1 2 349.434 3.753 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000676305069 1130560081 /nfs/dbraw/zinc/56/00/81/1130560081.db2.gz IWIHFENDUYOGFX-DAWZGUTISA-N 1 2 332.492 3.692 20 0 EHADLO C[C@@H](c1cccc(NCc2[nH]nc3ccccc32)c1)[NH+]1CCOCC1 ZINC000676323520 1130562296 /nfs/dbraw/zinc/56/22/96/1130562296.db2.gz VJMINBGLSSTXLE-HNNXBMFYSA-N 1 2 336.439 3.568 20 0 EHADLO CC[C@H]1CCC[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000727825842 1130597368 /nfs/dbraw/zinc/59/73/68/1130597368.db2.gz ZQWBQRVIUFMRTK-KRWDZBQOSA-N 1 2 334.419 3.715 20 0 EHADLO CC[C@H]1CCC[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000727825842 1130597375 /nfs/dbraw/zinc/59/73/75/1130597375.db2.gz ZQWBQRVIUFMRTK-KRWDZBQOSA-N 1 2 334.419 3.715 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3[C@@H](C)C2)C1 ZINC000728041796 1130619990 /nfs/dbraw/zinc/61/99/90/1130619990.db2.gz QFLOEGSUTKBQNL-KGLIPLIRSA-N 1 2 328.481 3.611 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3[C@@H](C)C2)C1 ZINC000728041796 1130619994 /nfs/dbraw/zinc/61/99/94/1130619994.db2.gz QFLOEGSUTKBQNL-KGLIPLIRSA-N 1 2 328.481 3.611 20 0 EHADLO Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000023253234 1130627745 /nfs/dbraw/zinc/62/77/45/1130627745.db2.gz SCQFLMDDLDHLRP-UHFFFAOYSA-N 1 2 325.239 3.904 20 0 EHADLO CCCCN(C)c1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000730669137 1130727555 /nfs/dbraw/zinc/72/75/55/1130727555.db2.gz XIQBGIQNCNAXJM-UHFFFAOYSA-N 1 2 341.459 3.552 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000731028790 1130761687 /nfs/dbraw/zinc/76/16/87/1130761687.db2.gz JFBULGDKZDUEGK-UHFFFAOYSA-N 1 2 348.815 3.693 20 0 EHADLO CN(C)c1nn(C[NH+]2CCC3(CCCCC3)CC2)c(=S)s1 ZINC000731205200 1130778596 /nfs/dbraw/zinc/77/85/96/1130778596.db2.gz FDBSDVLRCANVBV-UHFFFAOYSA-N 1 2 326.535 3.744 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)c2ccccc2F)n1 ZINC000731340326 1130787861 /nfs/dbraw/zinc/78/78/61/1130787861.db2.gz PPLNWWDTUXJKQU-LBPRGKRZSA-N 1 2 335.448 3.866 20 0 EHADLO Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1-n1cccc1 ZINC000731632169 1130822521 /nfs/dbraw/zinc/82/25/21/1130822521.db2.gz BXISTNZGAQKKGY-UHFFFAOYSA-N 1 2 348.450 3.803 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(-c2ccccc2F)no1)c1ccccc1 ZINC000732830121 1130961840 /nfs/dbraw/zinc/96/18/40/1130961840.db2.gz LBPPIQLBRBQHKY-SFHVURJKSA-N 1 2 339.370 3.722 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000733998245 1131184664 /nfs/dbraw/zinc/18/46/64/1131184664.db2.gz RDCAAUHKUFCIPI-MRXNPFEDSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000733998245 1131184667 /nfs/dbraw/zinc/18/46/67/1131184667.db2.gz RDCAAUHKUFCIPI-MRXNPFEDSA-N 1 2 345.468 3.533 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059840 1131461882 /nfs/dbraw/zinc/46/18/82/1131461882.db2.gz ZCQSOBKCSHJNHG-GDBMZVCRSA-N 1 2 331.489 3.656 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059840 1131461884 /nfs/dbraw/zinc/46/18/84/1131461884.db2.gz ZCQSOBKCSHJNHG-GDBMZVCRSA-N 1 2 331.489 3.656 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000738245164 1131466188 /nfs/dbraw/zinc/46/61/88/1131466188.db2.gz LDSYNCMSEUHCSO-QGZVFWFLSA-N 1 2 340.448 3.651 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000738245164 1131466190 /nfs/dbraw/zinc/46/61/90/1131466190.db2.gz LDSYNCMSEUHCSO-QGZVFWFLSA-N 1 2 340.448 3.651 20 0 EHADLO CC[C@H](c1nn(C[N@@H+]2CC[C@@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866920 1131511945 /nfs/dbraw/zinc/51/19/45/1131511945.db2.gz IGPLKYNQYWOMTM-ZBFHGGJFSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@H](c1nn(C[N@H+]2CC[C@@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866920 1131511950 /nfs/dbraw/zinc/51/19/50/1131511950.db2.gz IGPLKYNQYWOMTM-ZBFHGGJFSA-N 1 2 347.484 3.673 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000740858486 1131549285 /nfs/dbraw/zinc/54/92/85/1131549285.db2.gz FNHGPHJDJHBDJX-UONOGXRCSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000740858486 1131549289 /nfs/dbraw/zinc/54/92/89/1131549289.db2.gz FNHGPHJDJHBDJX-UONOGXRCSA-N 1 2 328.485 3.968 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861159 1131553716 /nfs/dbraw/zinc/55/37/16/1131553716.db2.gz LIGNMIDBUGHJNO-QZTJIDSGSA-N 1 2 338.451 3.893 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861159 1131553720 /nfs/dbraw/zinc/55/37/20/1131553720.db2.gz LIGNMIDBUGHJNO-QZTJIDSGSA-N 1 2 338.451 3.893 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860914 1131553837 /nfs/dbraw/zinc/55/38/37/1131553837.db2.gz SIPWMRHRDZRWBK-KGLIPLIRSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860914 1131553842 /nfs/dbraw/zinc/55/38/42/1131553842.db2.gz SIPWMRHRDZRWBK-KGLIPLIRSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1c2ccccc2oc1C(=O)COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741032256 1131567356 /nfs/dbraw/zinc/56/73/56/1131567356.db2.gz BQOOTLNORQCRPP-OAHLLOKOSA-N 1 2 343.423 3.732 20 0 EHADLO Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC000741031471 1131567884 /nfs/dbraw/zinc/56/78/84/1131567884.db2.gz RCYYYIWBGGADIK-IRXDYDNUSA-N 1 2 331.456 3.682 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149096 1131583907 /nfs/dbraw/zinc/58/39/07/1131583907.db2.gz NIPIWAQWUAGYNL-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149096 1131583908 /nfs/dbraw/zinc/58/39/08/1131583908.db2.gz NIPIWAQWUAGYNL-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO CC(C)n1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000741353597 1131598123 /nfs/dbraw/zinc/59/81/23/1131598123.db2.gz PLTYXVVXWDHSJE-LJQANCHMSA-N 1 2 341.455 3.562 20 0 EHADLO CC(C)n1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000741353597 1131598127 /nfs/dbraw/zinc/59/81/27/1131598127.db2.gz PLTYXVVXWDHSJE-LJQANCHMSA-N 1 2 341.455 3.562 20 0 EHADLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000741778163 1131646063 /nfs/dbraw/zinc/64/60/63/1131646063.db2.gz VSHLQKXDJGUYSA-CYBMUJFWSA-N 1 2 341.398 3.540 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc3ccccn3c2=S)CC[C@@H]1c1ccccc1 ZINC000742166970 1131691860 /nfs/dbraw/zinc/69/18/60/1131691860.db2.gz RPWIQQMMRQAEIT-RDJZCZTQSA-N 1 2 338.480 3.948 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc3ccccn3c2=S)CC[C@@H]1c1ccccc1 ZINC000742166970 1131691863 /nfs/dbraw/zinc/69/18/63/1131691863.db2.gz RPWIQQMMRQAEIT-RDJZCZTQSA-N 1 2 338.480 3.948 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000742255522 1131701971 /nfs/dbraw/zinc/70/19/71/1131701971.db2.gz XVZSIHKVXLIZNO-UHFFFAOYSA-N 1 2 328.378 3.742 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000742255522 1131701973 /nfs/dbraw/zinc/70/19/73/1131701973.db2.gz XVZSIHKVXLIZNO-UHFFFAOYSA-N 1 2 328.378 3.742 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3nccc4occc43)CC2)cc1 ZINC000742417205 1131721289 /nfs/dbraw/zinc/72/12/89/1131721289.db2.gz JNWWHJVDGKRLAR-UHFFFAOYSA-N 1 2 336.439 3.975 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)OCc3ccccc3)c2)cc[nH+]1 ZINC000742400448 1131725926 /nfs/dbraw/zinc/72/59/26/1131725926.db2.gz XBGZRZSFNQQLEA-UHFFFAOYSA-N 1 2 333.391 3.754 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4sc(Cl)nc4c3)cc2)C1 ZINC001212669316 1131771906 /nfs/dbraw/zinc/77/19/06/1131771906.db2.gz RBZNXRIOPFNZBY-UHFFFAOYSA-N 1 2 345.855 3.870 20 0 EHADLO CC(C)Oc1cc(F)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672065 1131787158 /nfs/dbraw/zinc/78/71/58/1131787158.db2.gz DHNOSMQGIUZKFN-UHFFFAOYSA-N 1 2 330.403 3.533 20 0 EHADLO CC(C)Oc1c(F)cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1F ZINC001212672670 1131790021 /nfs/dbraw/zinc/79/00/21/1131790021.db2.gz UFKUDCVHOQWTLL-UHFFFAOYSA-N 1 2 348.393 3.672 20 0 EHADLO CSCC[C@H]([NH2+][C@H]1CCc2ccc(C)cc2C1)C(=O)OC(C)(C)C ZINC001172834643 1131857406 /nfs/dbraw/zinc/85/74/06/1131857406.db2.gz HHGAIOUTCRFUSA-ROUUACIJSA-N 1 2 349.540 3.905 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC001172871198 1131889763 /nfs/dbraw/zinc/88/97/63/1131889763.db2.gz JFPXWUUNVXVSIQ-CYBMUJFWSA-N 1 2 340.870 3.600 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001172873517 1131891179 /nfs/dbraw/zinc/89/11/79/1131891179.db2.gz UGGPGCLVHFTMHC-SCLBCKFNSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001172873517 1131891188 /nfs/dbraw/zinc/89/11/88/1131891188.db2.gz UGGPGCLVHFTMHC-SCLBCKFNSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2cccc(F)c2)C2CC2)[C@H]1c1ccccc1 ZINC000743355826 1131898223 /nfs/dbraw/zinc/89/82/23/1131898223.db2.gz HSBDPXLNJWNQCG-MGPUTAFESA-N 1 2 338.426 3.967 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2cccc(F)c2)C2CC2)[C@H]1c1ccccc1 ZINC000743355826 1131898232 /nfs/dbraw/zinc/89/82/32/1131898232.db2.gz HSBDPXLNJWNQCG-MGPUTAFESA-N 1 2 338.426 3.967 20 0 EHADLO COC(=O)c1cnc(Cl)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693949 1131921205 /nfs/dbraw/zinc/92/12/05/1131921205.db2.gz AWDQXQLBVNVVKL-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO COC(=O)c1ccnc(Cl)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694103 1131922349 /nfs/dbraw/zinc/92/23/49/1131922349.db2.gz JSMJHCINMDJVGT-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO COC(=O)c1csc(C)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694401 1131922383 /nfs/dbraw/zinc/92/23/83/1131922383.db2.gz ZZLLIQOOBXQIJV-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO O=c1ccccn1-c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212698077 1131936570 /nfs/dbraw/zinc/93/65/70/1131936570.db2.gz KSDLSVXXUABHRG-UHFFFAOYSA-N 1 2 342.402 3.826 20 0 EHADLO Fc1c(Cl)nccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212702309 1131947604 /nfs/dbraw/zinc/94/76/04/1131947604.db2.gz PJNRPGHHNNAWQU-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OCC ZINC001173078860 1131958213 /nfs/dbraw/zinc/95/82/13/1131958213.db2.gz LPCRFGLIELZZME-DOMZBBRYSA-N 1 2 347.377 3.838 20 0 EHADLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C/C=C\Cl)CC1 ZINC000743851824 1131986406 /nfs/dbraw/zinc/98/64/06/1131986406.db2.gz QQVNOLQPOABTIR-WPRPQAPASA-N 1 2 343.696 3.880 20 0 EHADLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C/C=C/Cl)CC1 ZINC000743851821 1131986545 /nfs/dbraw/zinc/98/65/45/1131986545.db2.gz QQVNOLQPOABTIR-DRRGCAIJSA-N 1 2 343.696 3.880 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000743864666 1131992535 /nfs/dbraw/zinc/99/25/35/1131992535.db2.gz LWJVYYKSDYHJRP-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000743864666 1131992541 /nfs/dbraw/zinc/99/25/41/1131992541.db2.gz LWJVYYKSDYHJRP-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(CC)cc1)[C@H]2C ZINC001173240029 1132026989 /nfs/dbraw/zinc/02/69/89/1132026989.db2.gz MNDYOOSVIROIRK-SJORKVTESA-N 1 2 341.499 3.990 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(CC)cc1)[C@H]2C ZINC001173240029 1132026994 /nfs/dbraw/zinc/02/69/94/1132026994.db2.gz MNDYOOSVIROIRK-SJORKVTESA-N 1 2 341.499 3.990 20 0 EHADLO OCCc1ccc2c(c1)O[C@H]([NH2+][C@@H]1CCCC3(CCCCC3)C1)O2 ZINC001173346141 1132057355 /nfs/dbraw/zinc/05/73/55/1132057355.db2.gz ZMUICDRNUAVLOP-VQIMIIECSA-N 1 2 331.456 3.759 20 0 EHADLO COc1cc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)ccc1O ZINC001204114891 1132063494 /nfs/dbraw/zinc/06/34/94/1132063494.db2.gz OBPKUTQVJZNTGZ-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1cc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)ccc1O ZINC001204114891 1132063502 /nfs/dbraw/zinc/06/35/02/1132063502.db2.gz OBPKUTQVJZNTGZ-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C[C@H](CC(C)C)CC2=O)cc1 ZINC000744435749 1132092278 /nfs/dbraw/zinc/09/22/78/1132092278.db2.gz XRTMOHGTYLJORX-MJGOQNOKSA-N 1 2 346.540 3.937 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C[C@H](CC(C)C)CC2=O)cc1 ZINC000744435749 1132092283 /nfs/dbraw/zinc/09/22/83/1132092283.db2.gz XRTMOHGTYLJORX-MJGOQNOKSA-N 1 2 346.540 3.937 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000744436950 1132094041 /nfs/dbraw/zinc/09/40/41/1132094041.db2.gz CIOIMONDEJWODM-OAHLLOKOSA-N 1 2 346.500 3.737 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000744436950 1132094049 /nfs/dbraw/zinc/09/40/49/1132094049.db2.gz CIOIMONDEJWODM-OAHLLOKOSA-N 1 2 346.500 3.737 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CCC4(C3)CCCCC4)c(=O)c2c(C)c1C ZINC000744435169 1132097286 /nfs/dbraw/zinc/09/72/86/1132097286.db2.gz STCKCYNOMQSWBJ-UHFFFAOYSA-N 1 2 345.512 3.997 20 0 EHADLO Cc1nc2sn(C[N@H+]3CCC4(C3)CCCCC4)c(=O)c2c(C)c1C ZINC000744435169 1132097292 /nfs/dbraw/zinc/09/72/92/1132097292.db2.gz STCKCYNOMQSWBJ-UHFFFAOYSA-N 1 2 345.512 3.997 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cncnc2)C3)cs1 ZINC000181569948 1132112563 /nfs/dbraw/zinc/11/25/63/1132112563.db2.gz PHIJUEBSCPGYLH-UHFFFAOYSA-N 1 2 328.466 3.528 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cncnc2)C3)cs1 ZINC000181569948 1132112565 /nfs/dbraw/zinc/11/25/65/1132112565.db2.gz PHIJUEBSCPGYLH-UHFFFAOYSA-N 1 2 328.466 3.528 20 0 EHADLO Cc1cccc(C)c1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001173876418 1132177421 /nfs/dbraw/zinc/17/74/21/1132177421.db2.gz LRFNYEMMQHPRFH-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000745087793 1132191108 /nfs/dbraw/zinc/19/11/08/1132191108.db2.gz RVBXVICPTQRQCN-MRXNPFEDSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000745087793 1132191111 /nfs/dbraw/zinc/19/11/11/1132191111.db2.gz RVBXVICPTQRQCN-MRXNPFEDSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000745098199 1132193824 /nfs/dbraw/zinc/19/38/24/1132193824.db2.gz BDONOOLUSXPBGS-NEWSRXKRSA-N 1 2 333.472 3.818 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000745098199 1132193826 /nfs/dbraw/zinc/19/38/26/1132193826.db2.gz BDONOOLUSXPBGS-NEWSRXKRSA-N 1 2 333.472 3.818 20 0 EHADLO CCCCc1noc([C@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000745100635 1132194286 /nfs/dbraw/zinc/19/42/86/1132194286.db2.gz MJBUSIUJXIKDAQ-WMLDXEAASA-N 1 2 345.443 3.709 20 0 EHADLO CCCCc1noc([C@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000745100635 1132194292 /nfs/dbraw/zinc/19/42/92/1132194292.db2.gz MJBUSIUJXIKDAQ-WMLDXEAASA-N 1 2 345.443 3.709 20 0 EHADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Br ZINC000745081460 1132195368 /nfs/dbraw/zinc/19/53/68/1132195368.db2.gz ZKEHZBPENWYYQM-BXUZGUMPSA-N 1 2 326.234 3.538 20 0 EHADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1Br ZINC000745081460 1132195370 /nfs/dbraw/zinc/19/53/70/1132195370.db2.gz ZKEHZBPENWYYQM-BXUZGUMPSA-N 1 2 326.234 3.538 20 0 EHADLO c1cn(Cc2cccc(Nc3cnn(Cc4ccccc4)c3)c2)c[nH+]1 ZINC001174132848 1132248441 /nfs/dbraw/zinc/24/84/41/1132248441.db2.gz BQHZSQVZEPIHND-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001174181280 1132270227 /nfs/dbraw/zinc/27/02/27/1132270227.db2.gz GKBARYYXINDXLB-UHFFFAOYSA-N 1 2 333.391 3.769 20 0 EHADLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001174257894 1132303574 /nfs/dbraw/zinc/30/35/74/1132303574.db2.gz WEZWKPGAOZLTOS-UHFFFAOYSA-N 1 2 347.484 3.582 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174269967 1132307211 /nfs/dbraw/zinc/30/72/11/1132307211.db2.gz OLNRYFSPAPPGFD-UHFFFAOYSA-N 1 2 345.468 3.608 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(C3CCCC3)CC2)c1C ZINC000745789844 1132317023 /nfs/dbraw/zinc/31/70/23/1132317023.db2.gz QUCOATIWNURDNA-UHFFFAOYSA-N 1 2 345.487 3.819 20 0 EHADLO CCOc1cc(C(N)=O)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381935 1132345478 /nfs/dbraw/zinc/34/54/78/1132345478.db2.gz WVFCLHLAISSRIT-UHFFFAOYSA-N 1 2 338.411 3.858 20 0 EHADLO Clc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001174433374 1132354448 /nfs/dbraw/zinc/35/44/48/1132354448.db2.gz XRGIVNZRLYBZKX-UHFFFAOYSA-N 1 2 338.860 3.856 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC001174437095 1132354704 /nfs/dbraw/zinc/35/47/04/1132354704.db2.gz GELWTYJSDRTMMO-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO Fc1ccc(C(F)(F)F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174485079 1132368957 /nfs/dbraw/zinc/36/89/57/1132368957.db2.gz FPSRPAGQIFQBDD-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Nc1cc(C(F)(F)F)ncc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522317 1132399273 /nfs/dbraw/zinc/39/92/73/1132399273.db2.gz GFLSDJAPHJVLFZ-UHFFFAOYSA-N 1 2 337.349 3.812 20 0 EHADLO COC(=O)c1cc(C)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523530 1132400045 /nfs/dbraw/zinc/40/00/45/1132400045.db2.gz MUXWMCKSQBRFOP-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO Cc1cc(S(C)(=O)=O)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523942 1132400921 /nfs/dbraw/zinc/40/09/21/1132400921.db2.gz ZDXIVPFARFEHES-UHFFFAOYSA-N 1 2 345.468 3.527 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001174524877 1132401269 /nfs/dbraw/zinc/40/12/69/1132401269.db2.gz UCZKXJAHLWUUAJ-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc(F)c1 ZINC001174809511 1132480525 /nfs/dbraw/zinc/48/05/25/1132480525.db2.gz UNHANBQQNNJVMC-INIZCTEOSA-N 1 2 339.451 3.549 20 0 EHADLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc(F)c1 ZINC001174809511 1132480529 /nfs/dbraw/zinc/48/05/29/1132480529.db2.gz UNHANBQQNNJVMC-INIZCTEOSA-N 1 2 339.451 3.549 20 0 EHADLO Cc1ccc(F)cc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174884945 1132482943 /nfs/dbraw/zinc/48/29/43/1132482943.db2.gz UTTQYRPFGMWZNR-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO Cc1cn2cccc(NC=C3CCN(C(=O)OC(C)(C)C)CC3)c2[nH+]1 ZINC001174844299 1132483901 /nfs/dbraw/zinc/48/39/01/1132483901.db2.gz DXJCAQCRTRTBDW-UHFFFAOYSA-N 1 2 342.443 3.969 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)c(F)c1 ZINC000194407835 1132489120 /nfs/dbraw/zinc/48/91/20/1132489120.db2.gz FMUFYYBMCDDEMC-SFHVURJKSA-N 1 2 343.377 3.832 20 0 EHADLO Cc1c(Br)cccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977003 1132511413 /nfs/dbraw/zinc/51/14/13/1132511413.db2.gz JLJVIQINNZDADE-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CN(C)c1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001174962723 1132519584 /nfs/dbraw/zinc/51/95/84/1132519584.db2.gz QGSQQSRCJHJXPY-UHFFFAOYSA-N 1 2 331.217 3.906 20 0 EHADLO CSc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000766410296 1132533485 /nfs/dbraw/zinc/53/34/85/1132533485.db2.gz VJWJGAXENVSWLG-OAHLLOKOSA-N 1 2 335.448 3.589 20 0 EHADLO CSc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000766410295 1132533560 /nfs/dbraw/zinc/53/35/60/1132533560.db2.gz VJWJGAXENVSWLG-HNNXBMFYSA-N 1 2 335.448 3.589 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1C(F)(F)F ZINC001174980635 1132534258 /nfs/dbraw/zinc/53/42/58/1132534258.db2.gz YKECQZFBFVPDLL-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1COc2c1cccc2Cl ZINC000766426486 1132538163 /nfs/dbraw/zinc/53/81/63/1132538163.db2.gz FQCHCSQFMMOPGY-ZDUSSCGKSA-N 1 2 343.818 3.780 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC001175069430 1132549062 /nfs/dbraw/zinc/54/90/62/1132549062.db2.gz VVSAZISJLSKDST-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO CCOc1cc(C)c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c(C)c1 ZINC001175172133 1132588077 /nfs/dbraw/zinc/58/80/77/1132588077.db2.gz WRVFMJIOFYCWDT-UHFFFAOYSA-N 1 2 341.455 3.802 20 0 EHADLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC001175183518 1132591412 /nfs/dbraw/zinc/59/14/12/1132591412.db2.gz JJMWIVACNFKMLA-MRXNPFEDSA-N 1 2 348.450 3.844 20 0 EHADLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC001175183518 1132591419 /nfs/dbraw/zinc/59/14/19/1132591419.db2.gz JJMWIVACNFKMLA-MRXNPFEDSA-N 1 2 348.450 3.844 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nc(-c4ccccc4F)nn3c2)c[nH+]1 ZINC001175342410 1132626752 /nfs/dbraw/zinc/62/67/52/1132626752.db2.gz OSWLEIDRZYIWEQ-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO CN(C)c1ccc(Nc2cccc(-c3nc(CO)cs3)c2)c[nH+]1 ZINC001175344366 1132627106 /nfs/dbraw/zinc/62/71/06/1132627106.db2.gz PXDYIORNWJDJOD-UHFFFAOYSA-N 1 2 326.425 3.507 20 0 EHADLO CC(C)CNC(=O)c1ccc(Cl)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175346095 1132628900 /nfs/dbraw/zinc/62/89/00/1132628900.db2.gz MKDRAZYVNOIIKZ-UHFFFAOYSA-N 1 2 346.862 3.930 20 0 EHADLO CC(C)(C)NC(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169004996 1132629943 /nfs/dbraw/zinc/62/99/43/1132629943.db2.gz LMIKXRKRRIYIPS-UHFFFAOYSA-N 1 2 336.439 3.517 20 0 EHADLO COc1cnc(Br)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175348297 1132630629 /nfs/dbraw/zinc/63/06/29/1132630629.db2.gz CYTNZLIKBHNJOF-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO c1ccc2c(c1)cccc2OCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001169010399 1132631738 /nfs/dbraw/zinc/63/17/38/1132631738.db2.gz DJDRXCZXOWPXQP-UHFFFAOYSA-N 1 2 349.434 3.562 20 0 EHADLO CCOC(=O)c1sc2ncccc2c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340541 1132643922 /nfs/dbraw/zinc/64/39/22/1132643922.db2.gz KHELGZUPZICUJA-UHFFFAOYSA-N 1 2 342.424 3.678 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@H](Cc1ccccc1)CC(C)C ZINC001169058751 1132647506 /nfs/dbraw/zinc/64/75/06/1132647506.db2.gz KOBGNBUYACYWRW-ZWKOTPCHSA-N 1 2 337.529 3.918 20 0 EHADLO Cc1ccc(C[NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1F ZINC001175491782 1132682457 /nfs/dbraw/zinc/68/24/57/1132682457.db2.gz LSNKIFXGPHYQJJ-UHFFFAOYSA-N 1 2 348.849 3.811 20 0 EHADLO Clc1cccnc1N1CCC(Nc2cc3cc[nH]c3c[nH+]2)CC1 ZINC001169163197 1132684974 /nfs/dbraw/zinc/68/49/74/1132684974.db2.gz JTSVBFDSTHUZHZ-UHFFFAOYSA-N 1 2 327.819 3.692 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@H]1CCCC(F)(F)C1 ZINC001169214388 1132697378 /nfs/dbraw/zinc/69/73/78/1132697378.db2.gz XXMGNTBFHNFPSP-ZDUSSCGKSA-N 1 2 326.387 3.956 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CCC[C@@H](O)C3)ccc21 ZINC001169252937 1132709429 /nfs/dbraw/zinc/70/94/29/1132709429.db2.gz KMURXXLXUVZBSG-GOEBONIOSA-N 1 2 337.423 3.750 20 0 EHADLO CSc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cn1 ZINC001175651387 1132723181 /nfs/dbraw/zinc/72/31/81/1132723181.db2.gz MBAHWKWCHYFGKP-UHFFFAOYSA-N 1 2 335.230 3.957 20 0 EHADLO Cc1nc(Nc2ccc(Cl)c(O)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001212589541 1132731214 /nfs/dbraw/zinc/73/12/14/1132731214.db2.gz QUZFLDCIZYJCTJ-PHIMTYICSA-N 1 2 348.834 3.501 20 0 EHADLO COC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C ZINC001175713095 1132739940 /nfs/dbraw/zinc/73/99/40/1132739940.db2.gz PQMQIEIOGGWSJI-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO CCOC(=O)[C@H]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404902 1132741455 /nfs/dbraw/zinc/74/14/55/1132741455.db2.gz QPQMGHSJBPXDDC-IAQYHMDHSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404902 1132741461 /nfs/dbraw/zinc/74/14/61/1132741461.db2.gz QPQMGHSJBPXDDC-IAQYHMDHSA-N 1 2 346.254 3.536 20 0 EHADLO CN(CCCNC(=O)c1ccc(Cl)c2occc21)c1cccc[nH+]1 ZINC001175716183 1132742247 /nfs/dbraw/zinc/74/22/47/1132742247.db2.gz NJRQXQFXWJFIDP-UHFFFAOYSA-N 1 2 343.814 3.738 20 0 EHADLO COC(=O)c1cc(Cl)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717836 1132742651 /nfs/dbraw/zinc/74/26/51/1132742651.db2.gz SESZYTCARITDCU-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO OCC[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc2ccccc21 ZINC001169421649 1132750141 /nfs/dbraw/zinc/75/01/41/1132750141.db2.gz FCQAZGMNVZLYHT-LJQANCHMSA-N 1 2 348.450 3.766 20 0 EHADLO OCC[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc2ccccc21 ZINC001169421649 1132750144 /nfs/dbraw/zinc/75/01/44/1132750144.db2.gz FCQAZGMNVZLYHT-LJQANCHMSA-N 1 2 348.450 3.766 20 0 EHADLO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001169486200 1132775629 /nfs/dbraw/zinc/77/56/29/1132775629.db2.gz DEXZTMALKYBNGV-DOTOQJQBSA-N 1 2 338.442 3.758 20 0 EHADLO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001169486200 1132775631 /nfs/dbraw/zinc/77/56/31/1132775631.db2.gz DEXZTMALKYBNGV-DOTOQJQBSA-N 1 2 338.442 3.758 20 0 EHADLO CCOC(=O)c1ccsc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175858798 1132785927 /nfs/dbraw/zinc/78/59/27/1132785927.db2.gz KKKAEEDHURSBDF-UHFFFAOYSA-N 1 2 346.452 3.501 20 0 EHADLO c1ccc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)nc1 ZINC001176037227 1132826691 /nfs/dbraw/zinc/82/66/91/1132826691.db2.gz NTDYAHBDXSPOCA-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO COc1ncc(C[N@@H+]2CCC[C@H]2c2nc(C)c(C)[nH]2)c2ccccc21 ZINC001176079267 1132829943 /nfs/dbraw/zinc/82/99/43/1132829943.db2.gz XLBQJKKMWBTCQK-SFHVURJKSA-N 1 2 336.439 3.920 20 0 EHADLO COc1ncc(C[N@H+]2CCC[C@H]2c2nc(C)c(C)[nH]2)c2ccccc21 ZINC001176079267 1132829948 /nfs/dbraw/zinc/82/99/48/1132829948.db2.gz XLBQJKKMWBTCQK-SFHVURJKSA-N 1 2 336.439 3.920 20 0 EHADLO COc1cc(Nc2ccccc2C[NH+]2CCOCC2)c(F)cc1F ZINC001176109172 1132848653 /nfs/dbraw/zinc/84/86/53/1132848653.db2.gz JLVDWVIHBGEEJE-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO COC(=O)c1cc(C(F)(F)F)ccc1Nc1c[nH+]ccc1OC ZINC001176123426 1132852945 /nfs/dbraw/zinc/85/29/45/1132852945.db2.gz SYQJFCBCLFLUHH-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(OC(F)(F)F)c(Cl)cc1N ZINC001176124032 1132853405 /nfs/dbraw/zinc/85/34/05/1132853405.db2.gz MVCUPYTYLDJJLQ-UHFFFAOYSA-N 1 2 333.697 3.968 20 0 EHADLO COc1cc[nH+]cc1Nc1ccccc1S(=O)(=O)c1ccccc1 ZINC001176121037 1132853565 /nfs/dbraw/zinc/85/35/65/1132853565.db2.gz FGWCMGLMFMEOBL-UHFFFAOYSA-N 1 2 340.404 3.667 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1O ZINC001176252910 1132895141 /nfs/dbraw/zinc/89/51/41/1132895141.db2.gz MOQNRJGUEIUGAT-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000766883638 1132902463 /nfs/dbraw/zinc/90/24/63/1132902463.db2.gz XCPTVYWIIQIITK-STQMWFEESA-N 1 2 346.308 3.599 20 0 EHADLO CCc1cc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)ccc1Cl ZINC001176392086 1132917478 /nfs/dbraw/zinc/91/74/78/1132917478.db2.gz ZXGWHKLSPNDGQV-UHFFFAOYSA-N 1 2 332.835 3.581 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610268 1132971522 /nfs/dbraw/zinc/97/15/22/1132971522.db2.gz NMZMIDSPGDJYFC-QRWLVFNGSA-N 1 2 329.440 3.657 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610268 1132971527 /nfs/dbraw/zinc/97/15/27/1132971527.db2.gz NMZMIDSPGDJYFC-QRWLVFNGSA-N 1 2 329.440 3.657 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(c3cc(C)ccc3C)CC2)n1 ZINC001176805163 1133000893 /nfs/dbraw/zinc/00/08/93/1133000893.db2.gz XAVJVZPXZAMHNK-UHFFFAOYSA-N 1 2 344.480 3.926 20 0 EHADLO Fc1ccc(Cl)cc1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001176819107 1133003210 /nfs/dbraw/zinc/00/32/10/1133003210.db2.gz HSEHEWCBGOMDEV-HNNXBMFYSA-N 1 2 331.822 3.859 20 0 EHADLO Fc1ccc(Cl)cc1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001176819107 1133003215 /nfs/dbraw/zinc/00/32/15/1133003215.db2.gz HSEHEWCBGOMDEV-HNNXBMFYSA-N 1 2 331.822 3.859 20 0 EHADLO CC(C)Oc1cc(NC(=O)Cc2c[nH]c[nH+]2)c(Cl)cc1Cl ZINC001176833143 1133004694 /nfs/dbraw/zinc/00/46/94/1133004694.db2.gz BSRSQNDYHHEHHM-UHFFFAOYSA-N 1 2 328.199 3.685 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C1CCCC1 ZINC000767454894 1133004868 /nfs/dbraw/zinc/00/48/68/1133004868.db2.gz GVNWPMLIIQUWFV-UHFFFAOYSA-N 1 2 336.395 3.541 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC001176969288 1133017498 /nfs/dbraw/zinc/01/74/98/1133017498.db2.gz BGTCZBAYWILEGQ-BRWVUGGUSA-N 1 2 329.488 3.629 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)ccc12 ZINC001176967775 1133017787 /nfs/dbraw/zinc/01/77/87/1133017787.db2.gz WGZLUXBEOHQALE-INIZCTEOSA-N 1 2 346.434 3.793 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC001177014322 1133021269 /nfs/dbraw/zinc/02/12/69/1133021269.db2.gz VOYGPTRBWQSWCS-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC001177013156 1133021980 /nfs/dbraw/zinc/02/19/80/1133021980.db2.gz IUXNSFJLRQOKEU-PMACEKPBSA-N 1 2 340.442 3.738 20 0 EHADLO COc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C1CC1 ZINC000767684408 1133038394 /nfs/dbraw/zinc/03/83/94/1133038394.db2.gz OXLOGRKXGUGYLI-GOSISDBHSA-N 1 2 341.455 3.614 20 0 EHADLO CCCCC[C@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001169975569 1133054701 /nfs/dbraw/zinc/05/47/01/1133054701.db2.gz PUDHJQYAWZGCPD-LPHOPBHVSA-N 1 2 332.488 3.775 20 0 EHADLO Fc1cc(Br)cnc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001177387389 1133060472 /nfs/dbraw/zinc/06/04/72/1133060472.db2.gz JLDWYEGZYSKBSA-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO CN(C)c1cc(CSCCCOc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000767871968 1133065407 /nfs/dbraw/zinc/06/54/07/1133065407.db2.gz RBUOVSRRESUIDN-UHFFFAOYSA-N 1 2 346.452 3.579 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)n1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177615269 1133087112 /nfs/dbraw/zinc/08/71/12/1133087112.db2.gz BAYVENHGOZKKSZ-GFCCVEGCSA-N 1 2 340.210 3.585 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)n1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177615269 1133087117 /nfs/dbraw/zinc/08/71/17/1133087117.db2.gz BAYVENHGOZKKSZ-GFCCVEGCSA-N 1 2 340.210 3.585 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177622252 1133087370 /nfs/dbraw/zinc/08/73/70/1133087370.db2.gz LAWSGEWOJXTZAS-LJQANCHMSA-N 1 2 342.439 3.978 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177622252 1133087374 /nfs/dbraw/zinc/08/73/74/1133087374.db2.gz LAWSGEWOJXTZAS-LJQANCHMSA-N 1 2 342.439 3.978 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000768132385 1133100169 /nfs/dbraw/zinc/10/01/69/1133100169.db2.gz DRPOXOSNXXRHLO-NSHDSACASA-N 1 2 331.466 3.716 20 0 EHADLO c1ccc(CCN2CC[NH+](Cc3cncc4ccccc43)CC2)cc1 ZINC000768216258 1133113560 /nfs/dbraw/zinc/11/35/60/1133113560.db2.gz VFHDWVLQWQMLJF-UHFFFAOYSA-N 1 2 331.463 3.595 20 0 EHADLO CCCOc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1OCC ZINC001178060733 1133128303 /nfs/dbraw/zinc/12/83/03/1133128303.db2.gz XZXWTGLKZAJIBM-UHFFFAOYSA-N 1 2 329.444 3.947 20 0 EHADLO CN(C)c1ccc(F)cc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001178254452 1133145844 /nfs/dbraw/zinc/14/58/44/1133145844.db2.gz NWMWSKMJUFISIB-UHFFFAOYSA-N 1 2 328.435 3.889 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(OCC)cc3)CC2)C1 ZINC000768471350 1133145818 /nfs/dbraw/zinc/14/58/18/1133145818.db2.gz NWCDSKQVBUPBNF-KRWDZBQOSA-N 1 2 342.483 3.781 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(OCC)cc3)CC2)C1 ZINC000768471350 1133145822 /nfs/dbraw/zinc/14/58/22/1133145822.db2.gz NWCDSKQVBUPBNF-KRWDZBQOSA-N 1 2 342.483 3.781 20 0 EHADLO COc1cc(N[C@H]2CCC[N@H+](C/C(Cl)=C/Cl)C2)cc(OC)c1 ZINC000768553705 1133155139 /nfs/dbraw/zinc/15/51/39/1133155139.db2.gz QYNZLCPFRAJRMJ-SUIFULHWSA-N 1 2 345.270 3.899 20 0 EHADLO COc1cc(N[C@H]2CCC[N@@H+](C/C(Cl)=C/Cl)C2)cc(OC)c1 ZINC000768553705 1133155142 /nfs/dbraw/zinc/15/51/42/1133155142.db2.gz QYNZLCPFRAJRMJ-SUIFULHWSA-N 1 2 345.270 3.899 20 0 EHADLO Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)c(N2CCCC2)n1 ZINC001178457923 1133170831 /nfs/dbraw/zinc/17/08/31/1133170831.db2.gz HRIOLRLISHEZRQ-UHFFFAOYSA-N 1 2 328.485 3.614 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001204219276 1133174928 /nfs/dbraw/zinc/17/49/28/1133174928.db2.gz XFSLSSYMJVIHHB-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001204219276 1133174931 /nfs/dbraw/zinc/17/49/31/1133174931.db2.gz XFSLSSYMJVIHHB-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3cn4cc(C)ccc4n3)on2)cc1 ZINC001179117129 1133229386 /nfs/dbraw/zinc/22/93/86/1133229386.db2.gz YANZYHZFCAAMCY-UHFFFAOYSA-N 1 2 348.406 3.596 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769203252 1133243726 /nfs/dbraw/zinc/24/37/26/1133243726.db2.gz NALIMLKTKAJGNL-UHFFFAOYSA-N 1 2 338.455 3.786 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769203252 1133243731 /nfs/dbraw/zinc/24/37/31/1133243731.db2.gz NALIMLKTKAJGNL-UHFFFAOYSA-N 1 2 338.455 3.786 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cc(OC)ccc1OCOC ZINC001179432477 1133250607 /nfs/dbraw/zinc/25/06/07/1133250607.db2.gz CNOIMSKLMSOVCT-UHFFFAOYSA-N 1 2 348.468 3.938 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H](F)c2ccccc2)[nH+]1 ZINC000769299960 1133256150 /nfs/dbraw/zinc/25/61/50/1133256150.db2.gz URHHCYWDVDVBIX-GOSISDBHSA-N 1 2 331.387 3.593 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000769330934 1133263574 /nfs/dbraw/zinc/26/35/74/1133263574.db2.gz SBBFRGLXNSKEGO-MRXNPFEDSA-N 1 2 347.890 3.929 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000769330934 1133263581 /nfs/dbraw/zinc/26/35/81/1133263581.db2.gz SBBFRGLXNSKEGO-MRXNPFEDSA-N 1 2 347.890 3.929 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(-n2nnc3ccccc32)cc1 ZINC001179646086 1133265429 /nfs/dbraw/zinc/26/54/29/1133265429.db2.gz PQCXCKXTLZYHRU-UHFFFAOYSA-N 1 2 332.411 3.639 20 0 EHADLO O=C(Cc1cc(F)c(F)c(F)c1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001179957347 1133312442 /nfs/dbraw/zinc/31/24/42/1133312442.db2.gz WUMJUIIKSQMUHH-UHFFFAOYSA-N 1 2 345.324 3.530 20 0 EHADLO CC(C)CC(=O)N1CC[NH+]([C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001180019263 1133317849 /nfs/dbraw/zinc/31/78/49/1133317849.db2.gz XFXBFRDGVIXUMK-DZGCQCFKSA-N 1 2 338.542 3.864 20 0 EHADLO CC(C)(C)c1coc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC001180042623 1133320820 /nfs/dbraw/zinc/32/08/20/1133320820.db2.gz FZJVPCJTRVEWTO-YFHOEESVSA-N 1 2 339.483 3.803 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2cccnc2Br)c1 ZINC001180157226 1133340537 /nfs/dbraw/zinc/34/05/37/1133340537.db2.gz CBLALTHYSYUMIW-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2cccnc2Br)c1 ZINC001180157226 1133340540 /nfs/dbraw/zinc/34/05/40/1133340540.db2.gz CBLALTHYSYUMIW-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1cccc(CCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001180164607 1133341628 /nfs/dbraw/zinc/34/16/28/1133341628.db2.gz DTBXEPJKJJVWEH-UHFFFAOYSA-N 1 2 333.435 3.772 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC001180219648 1133345528 /nfs/dbraw/zinc/34/55/28/1133345528.db2.gz QZOZFJRWBQMITL-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC001180219648 1133345534 /nfs/dbraw/zinc/34/55/34/1133345534.db2.gz QZOZFJRWBQMITL-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO C[N@H+](Cc1cc(Cl)ccc1F)Cc1cc(=O)oc2cc(O)ccc12 ZINC000769852277 1133356530 /nfs/dbraw/zinc/35/65/30/1133356530.db2.gz DJVYFDIMKHBXMB-UHFFFAOYSA-N 1 2 347.773 3.923 20 0 EHADLO C[N@@H+](Cc1cc(Cl)ccc1F)Cc1cc(=O)oc2cc(O)ccc12 ZINC000769852277 1133356534 /nfs/dbraw/zinc/35/65/34/1133356534.db2.gz DJVYFDIMKHBXMB-UHFFFAOYSA-N 1 2 347.773 3.923 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769943002 1133364234 /nfs/dbraw/zinc/36/42/34/1133364234.db2.gz PHPHUUYDQZAPTB-INIZCTEOSA-N 1 2 343.862 3.908 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769943002 1133364235 /nfs/dbraw/zinc/36/42/35/1133364235.db2.gz PHPHUUYDQZAPTB-INIZCTEOSA-N 1 2 343.862 3.908 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cc(C(C)(C)C)oc3C)CC2)cs1 ZINC001180371801 1133367604 /nfs/dbraw/zinc/36/76/04/1133367604.db2.gz AFRAUYRKYMMIKT-UHFFFAOYSA-N 1 2 347.528 3.968 20 0 EHADLO Cc1ccc([C@@H](O)CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000769928234 1133367806 /nfs/dbraw/zinc/36/78/06/1133367806.db2.gz KHUQBMZNHBAPSK-UWJYYQICSA-N 1 2 342.458 3.546 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412977 1133372254 /nfs/dbraw/zinc/37/22/54/1133372254.db2.gz NWPQFHAKNRCQMZ-CQSZACIVSA-N 1 2 347.361 3.779 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412977 1133372261 /nfs/dbraw/zinc/37/22/61/1133372261.db2.gz NWPQFHAKNRCQMZ-CQSZACIVSA-N 1 2 347.361 3.779 20 0 EHADLO COc1ccc2cc(COC(=O)c3cccc4[nH+]ccn43)ccc2c1 ZINC000770064564 1133388003 /nfs/dbraw/zinc/38/80/03/1133388003.db2.gz HWDRDUZUBOZHSI-UHFFFAOYSA-N 1 2 332.359 3.853 20 0 EHADLO CCC(CC)n1nccc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000770189260 1133395220 /nfs/dbraw/zinc/39/52/20/1133395220.db2.gz CGRHXYYESNMDDI-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO COc1ccc2nc(C)c(C(=O)OCc3cccc4[nH+]ccn43)cc2c1 ZINC000770156016 1133396405 /nfs/dbraw/zinc/39/64/05/1133396405.db2.gz FNRLQVWHVPYLJO-UHFFFAOYSA-N 1 2 347.374 3.557 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C/C(Cl)=C/Cl)CC2)cc1 ZINC000746500388 1133407297 /nfs/dbraw/zinc/40/72/97/1133407297.db2.gz TYHPLFARQLKIDV-PTNGSMBKSA-N 1 2 329.271 3.522 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1ncccc1C)Cc1ccccc1Cl ZINC001180702729 1133408707 /nfs/dbraw/zinc/40/87/07/1133408707.db2.gz QIFZBFDXTSYJIZ-OAHLLOKOSA-N 1 2 345.874 3.743 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1ncccc1C)Cc1ccccc1Cl ZINC001180702729 1133408709 /nfs/dbraw/zinc/40/87/09/1133408709.db2.gz QIFZBFDXTSYJIZ-OAHLLOKOSA-N 1 2 345.874 3.743 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc3[nH+]ccn32)C2CC2)o1 ZINC000770399826 1133423045 /nfs/dbraw/zinc/42/30/45/1133423045.db2.gz CGRUUMXMFMNJIG-CZUORRHYSA-N 1 2 335.407 3.856 20 0 EHADLO O=C(NC(c1cccs1)c1cccs1)c1cccc2[nH+]ccn21 ZINC000770426692 1133428721 /nfs/dbraw/zinc/42/87/21/1133428721.db2.gz PMCSQSCFYDAXJY-UHFFFAOYSA-N 1 2 339.445 3.977 20 0 EHADLO CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)Oc1ccccc1Cl ZINC000770434241 1133429882 /nfs/dbraw/zinc/42/98/82/1133429882.db2.gz IYHWHGOLNPNACL-CYBMUJFWSA-N 1 2 343.814 3.575 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1C(C)(C)C ZINC001181007045 1133439346 /nfs/dbraw/zinc/43/93/46/1133439346.db2.gz CBJMSRMGXVZVIX-KRWDZBQOSA-N 1 2 335.488 3.619 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1C(C)(C)C ZINC001181007045 1133439351 /nfs/dbraw/zinc/43/93/51/1133439351.db2.gz CBJMSRMGXVZVIX-KRWDZBQOSA-N 1 2 335.488 3.619 20 0 EHADLO Fc1cc(NCc2occc2Br)ccc1-n1cc[nH+]c1 ZINC000770529573 1133442907 /nfs/dbraw/zinc/44/29/07/1133442907.db2.gz PIHLUMQUYYRWMN-UHFFFAOYSA-N 1 2 336.164 3.979 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCc1c(F)cccc1Cl ZINC001181030615 1133447242 /nfs/dbraw/zinc/44/72/42/1133447242.db2.gz GKJKPTNPTQYPPT-GOSISDBHSA-N 1 2 349.833 3.786 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000770688466 1133455684 /nfs/dbraw/zinc/45/56/84/1133455684.db2.gz JPQIUZKFZZVZSG-CQSZACIVSA-N 1 2 349.418 3.924 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000770688466 1133455686 /nfs/dbraw/zinc/45/56/86/1133455686.db2.gz JPQIUZKFZZVZSG-CQSZACIVSA-N 1 2 349.418 3.924 20 0 EHADLO CC[C@@H]1CCc2nc(NC(=O)c3cccc4[nH+]ccn43)sc2C1 ZINC000770659878 1133456132 /nfs/dbraw/zinc/45/61/32/1133456132.db2.gz VAGSBPUALWOFDS-LLVKDONJSA-N 1 2 326.425 3.558 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(C(F)F)n1 ZINC000770654349 1133460487 /nfs/dbraw/zinc/46/04/87/1133460487.db2.gz RKTVMLLCRKDOHW-CQSZACIVSA-N 1 2 327.325 3.973 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(C(F)F)n1 ZINC000770654349 1133460492 /nfs/dbraw/zinc/46/04/92/1133460492.db2.gz RKTVMLLCRKDOHW-CQSZACIVSA-N 1 2 327.325 3.973 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](CO)c1ccsc1 ZINC000770689145 1133462329 /nfs/dbraw/zinc/46/23/29/1133462329.db2.gz NXLWJHATLNEYAS-INIZCTEOSA-N 1 2 347.871 3.719 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770922586 1133484636 /nfs/dbraw/zinc/48/46/36/1133484636.db2.gz NUSBRZPFRUAHSI-UHFFFAOYSA-N 1 2 338.407 3.888 20 0 EHADLO O=C(Cc1csc(-c2ccccc2)n1)OCc1cccc2[nH+]ccn21 ZINC000770922481 1133484658 /nfs/dbraw/zinc/48/46/58/1133484658.db2.gz PFWHQUSLNJFKAR-UHFFFAOYSA-N 1 2 349.415 3.744 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924059 1133484881 /nfs/dbraw/zinc/48/48/81/1133484881.db2.gz AUUJBQFBJNDNCO-HNNXBMFYSA-N 1 2 344.798 3.889 20 0 EHADLO O=C(/C=C\c1ccnc2ccccc12)OCc1cccc2[nH+]ccn21 ZINC000770922325 1133484946 /nfs/dbraw/zinc/48/49/46/1133484946.db2.gz KNYPSWJNZPKEQK-HJWRWDBZSA-N 1 2 329.359 3.639 20 0 EHADLO CSc1ccc(O[C@H](C)C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770931286 1133487035 /nfs/dbraw/zinc/48/70/35/1133487035.db2.gz SRJCDRVDUVQZHH-CYBMUJFWSA-N 1 2 342.420 3.567 20 0 EHADLO COc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1F ZINC000771247812 1133527213 /nfs/dbraw/zinc/52/72/13/1133527213.db2.gz LJQBQZIROSVNGP-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1COC1 ZINC001181985643 1133557319 /nfs/dbraw/zinc/55/73/19/1133557319.db2.gz FMCGTFUREQREIE-UHFFFAOYSA-N 1 2 341.499 3.838 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1COC1 ZINC001181985643 1133557325 /nfs/dbraw/zinc/55/73/25/1133557325.db2.gz FMCGTFUREQREIE-UHFFFAOYSA-N 1 2 341.499 3.838 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cc2cc(Br)cnc2F)C1 ZINC001182043118 1133565499 /nfs/dbraw/zinc/56/54/99/1133565499.db2.gz FWXSDQWIKVEFQF-SNVBAGLBSA-N 1 2 333.270 3.558 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cc2cc(Br)cnc2F)C1 ZINC001182043118 1133565504 /nfs/dbraw/zinc/56/55/04/1133565504.db2.gz FWXSDQWIKVEFQF-SNVBAGLBSA-N 1 2 333.270 3.558 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2c(s1)CCCC2 ZINC001182115881 1133573561 /nfs/dbraw/zinc/57/35/61/1133573561.db2.gz VJJVOMLDJKOVQQ-CQSZACIVSA-N 1 2 345.487 3.872 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC001182115881 1133573565 /nfs/dbraw/zinc/57/35/65/1133573565.db2.gz VJJVOMLDJKOVQQ-CQSZACIVSA-N 1 2 345.487 3.872 20 0 EHADLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001182172205 1133576191 /nfs/dbraw/zinc/57/61/91/1133576191.db2.gz KLXOUBFMJXIEHL-OAHLLOKOSA-N 1 2 348.535 3.597 20 0 EHADLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001182172205 1133576192 /nfs/dbraw/zinc/57/61/92/1133576192.db2.gz KLXOUBFMJXIEHL-OAHLLOKOSA-N 1 2 348.535 3.597 20 0 EHADLO Cc1cncnc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182234723 1133595250 /nfs/dbraw/zinc/59/52/50/1133595250.db2.gz BLULXXXBKLJMSC-LJQANCHMSA-N 1 2 346.434 3.597 20 0 EHADLO Cc1cncnc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182234723 1133595252 /nfs/dbraw/zinc/59/52/52/1133595252.db2.gz BLULXXXBKLJMSC-LJQANCHMSA-N 1 2 346.434 3.597 20 0 EHADLO CCn1cc(NC(=O)[C@H](c2ccccc2Cl)[NH+](CC)CC)cn1 ZINC001182218126 1133597878 /nfs/dbraw/zinc/59/78/78/1133597878.db2.gz GWDWCFCGSAXGOP-INIZCTEOSA-N 1 2 334.851 3.578 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000771842612 1133598873 /nfs/dbraw/zinc/59/88/73/1133598873.db2.gz SXGYCWSMKCQPQD-UHFFFAOYSA-N 1 2 346.217 3.840 20 0 EHADLO O=C(Nc1ccnnc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243900 1133599594 /nfs/dbraw/zinc/59/95/94/1133599594.db2.gz KUGUXHUTFNPHKM-QGZVFWFLSA-N 1 2 344.846 3.686 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781336374 1133603164 /nfs/dbraw/zinc/60/31/64/1133603164.db2.gz VXWMBZBJYPLQMW-LSDHHAIUSA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781336374 1133603169 /nfs/dbraw/zinc/60/31/69/1133603169.db2.gz VXWMBZBJYPLQMW-LSDHHAIUSA-N 1 2 347.402 3.678 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F ZINC001182282833 1133615512 /nfs/dbraw/zinc/61/55/12/1133615512.db2.gz ATGOZUVOQVHVMC-RTBURBONSA-N 1 2 349.409 3.774 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001182282832 1133615627 /nfs/dbraw/zinc/61/56/27/1133615627.db2.gz ATGOZUVOQVHVMC-RBUKOAKNSA-N 1 2 349.409 3.774 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cccnc1SCC1CCCCC1 ZINC000771965102 1133621689 /nfs/dbraw/zinc/62/16/89/1133621689.db2.gz LWKHIYGOPXTBRJ-UHFFFAOYSA-N 1 2 345.468 3.808 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(Cl)ccc1OC1CCCC1 ZINC000771993695 1133625671 /nfs/dbraw/zinc/62/56/71/1133625671.db2.gz KUZNLNQTMGTJFS-UHFFFAOYSA-N 1 2 334.803 3.715 20 0 EHADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000772146315 1133650655 /nfs/dbraw/zinc/65/06/55/1133650655.db2.gz PASOXQGOTPIWKN-HXUWFJFHSA-N 1 2 338.451 3.796 20 0 EHADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000772146315 1133650657 /nfs/dbraw/zinc/65/06/57/1133650657.db2.gz PASOXQGOTPIWKN-HXUWFJFHSA-N 1 2 338.451 3.796 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(F)CCCC3)n2)C1 ZINC000772351490 1133673703 /nfs/dbraw/zinc/67/37/03/1133673703.db2.gz IZYIOYSVBACDNB-GFCCVEGCSA-N 1 2 325.453 3.596 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(F)CCCC3)n2)C1 ZINC000772351490 1133673699 /nfs/dbraw/zinc/67/36/99/1133673699.db2.gz IZYIOYSVBACDNB-GFCCVEGCSA-N 1 2 325.453 3.596 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001182489345 1133694413 /nfs/dbraw/zinc/69/44/13/1133694413.db2.gz KDNSSSOYQPUMGQ-DYVFJYSZSA-N 1 2 345.443 3.612 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001182489345 1133694418 /nfs/dbraw/zinc/69/44/18/1133694418.db2.gz KDNSSSOYQPUMGQ-DYVFJYSZSA-N 1 2 345.443 3.612 20 0 EHADLO C[N@H+](CCc1ccccc1F)Cc1nc(Cc2cccc(F)c2)no1 ZINC000785687072 1133737254 /nfs/dbraw/zinc/73/72/54/1133737254.db2.gz AAFDGFLIKKXUDR-UHFFFAOYSA-N 1 2 343.377 3.613 20 0 EHADLO C[N@@H+](CCc1ccccc1F)Cc1nc(Cc2cccc(F)c2)no1 ZINC000785687072 1133737256 /nfs/dbraw/zinc/73/72/56/1133737256.db2.gz AAFDGFLIKKXUDR-UHFFFAOYSA-N 1 2 343.377 3.613 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001183226912 1133781311 /nfs/dbraw/zinc/78/13/11/1133781311.db2.gz KZNWNSGMWPTSFM-OAHLLOKOSA-N 1 2 348.796 3.849 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001183226912 1133781315 /nfs/dbraw/zinc/78/13/15/1133781315.db2.gz KZNWNSGMWPTSFM-OAHLLOKOSA-N 1 2 348.796 3.849 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC001183312544 1133791237 /nfs/dbraw/zinc/79/12/37/1133791237.db2.gz LJJNMPAQOZHYNX-IBGZPJMESA-N 1 2 329.415 3.923 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC001183312544 1133791242 /nfs/dbraw/zinc/79/12/42/1133791242.db2.gz LJJNMPAQOZHYNX-IBGZPJMESA-N 1 2 329.415 3.923 20 0 EHADLO CCOc1cccc(F)c1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001183379393 1133801694 /nfs/dbraw/zinc/80/16/94/1133801694.db2.gz MCYVFBBDAUZTKM-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO Cc1ccc([C@H]2CC(=O)N(C[N@@H+]3Cc4ccccc4C4(CC4)C3)C2)cc1 ZINC000774671525 1133845538 /nfs/dbraw/zinc/84/55/38/1133845538.db2.gz QPZZHDPATZXXJI-FQEVSTJZSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1ccc([C@H]2CC(=O)N(C[N@H+]3Cc4ccccc4C4(CC4)C3)C2)cc1 ZINC000774671525 1133845540 /nfs/dbraw/zinc/84/55/40/1133845540.db2.gz QPZZHDPATZXXJI-FQEVSTJZSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)CCc3ccc(N)[nH+]c3)c2)cs1 ZINC001183932340 1133874046 /nfs/dbraw/zinc/87/40/46/1133874046.db2.gz OYOOJYHCHYMSKP-UHFFFAOYSA-N 1 2 338.436 3.667 20 0 EHADLO C[C@H]([NH2+]C1CC(Sc2ccccc2)C1)c1nc(C(F)(F)F)n[nH]1 ZINC001184001945 1133887993 /nfs/dbraw/zinc/88/79/93/1133887993.db2.gz IPSFXZWSNKKKQE-BMQDGWLCSA-N 1 2 342.390 3.797 20 0 EHADLO Cc1cccc(C)c1C[N@@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC001184034586 1133890446 /nfs/dbraw/zinc/89/04/46/1133890446.db2.gz GELHOYBQWXIQGS-UHFFFAOYSA-N 1 2 343.471 3.624 20 0 EHADLO Cc1cccc(C)c1C[N@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC001184034586 1133890453 /nfs/dbraw/zinc/89/04/53/1133890453.db2.gz GELHOYBQWXIQGS-UHFFFAOYSA-N 1 2 343.471 3.624 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1N[C@H](c1ccc(F)cc1)C(C)C ZINC001170063641 1133891212 /nfs/dbraw/zinc/89/12/12/1133891212.db2.gz UFADFLSQTXHWQX-INIZCTEOSA-N 1 2 332.375 3.825 20 0 EHADLO Cc1ccc(C(F)(F)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000780710604 1133934767 /nfs/dbraw/zinc/93/47/67/1133934767.db2.gz VHTAZYGGWONANI-OAHLLOKOSA-N 1 2 335.398 3.514 20 0 EHADLO CCOC(=O)N1CCC(C)(C[NH2+][C@@H](c2ccccc2)C(F)F)CC1 ZINC001184461911 1133944188 /nfs/dbraw/zinc/94/41/88/1133944188.db2.gz FYSALLSPVCKCOJ-HNNXBMFYSA-N 1 2 340.414 3.841 20 0 EHADLO Cn1c[nH+]cc1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC001184470676 1133944944 /nfs/dbraw/zinc/94/49/44/1133944944.db2.gz MORODDLOHDBXMA-UHFFFAOYSA-N 1 2 342.830 3.575 20 0 EHADLO c1csc(-c2nccc(Nc3ccc([NH+]4CCCCC4)cc3)n2)n1 ZINC001184598617 1133963879 /nfs/dbraw/zinc/96/38/79/1133963879.db2.gz NKYARGNKWTULQA-UHFFFAOYSA-N 1 2 337.452 3.756 20 0 EHADLO Cc1cccc(C2(CC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCC2)c1 ZINC001185093453 1134028000 /nfs/dbraw/zinc/02/80/00/1134028000.db2.gz PVGQGQBSVQVEMQ-LJQANCHMSA-N 1 2 349.478 3.597 20 0 EHADLO CCOc1c(OC)cc(CNc2cc(CC)[nH+]c(CC)n2)cc1OC ZINC001185080784 1134033544 /nfs/dbraw/zinc/03/35/44/1134033544.db2.gz FKJQPHVNKUSKEG-UHFFFAOYSA-N 1 2 345.443 3.629 20 0 EHADLO CC1(C)CC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001185155907 1134048707 /nfs/dbraw/zinc/04/87/07/1134048707.db2.gz KLMVLBMEWLVTQR-MBNRZODZSA-N 1 2 326.484 3.670 20 0 EHADLO S=c1n(-c2ccccc2)cnn1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000746715796 1134056813 /nfs/dbraw/zinc/05/68/13/1134056813.db2.gz JTBOMQQWHWDFDD-KRWDZBQOSA-N 1 2 336.464 3.850 20 0 EHADLO S=c1n(-c2ccccc2)cnn1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000746715796 1134056820 /nfs/dbraw/zinc/05/68/20/1134056820.db2.gz JTBOMQQWHWDFDD-KRWDZBQOSA-N 1 2 336.464 3.850 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](C)Cc1cccc2ccccc21 ZINC000788012378 1134063523 /nfs/dbraw/zinc/06/35/23/1134063523.db2.gz UKUMBBZKZNFSQO-UHFFFAOYSA-N 1 2 340.858 3.981 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)Cc1cccc2ccccc21 ZINC000788012378 1134063530 /nfs/dbraw/zinc/06/35/30/1134063530.db2.gz UKUMBBZKZNFSQO-UHFFFAOYSA-N 1 2 340.858 3.981 20 0 EHADLO Cc1nc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c2c([nH+]1)CCCC2 ZINC001185413970 1134088322 /nfs/dbraw/zinc/08/83/22/1134088322.db2.gz LUUIJKZZOGHWRZ-INIZCTEOSA-N 1 2 325.431 3.872 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccsc1 ZINC000788246704 1134100646 /nfs/dbraw/zinc/10/06/46/1134100646.db2.gz SVMZEXJNRYFPCZ-AWEZNQCLSA-N 1 2 329.469 3.806 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccsc1 ZINC000788246704 1134100649 /nfs/dbraw/zinc/10/06/49/1134100649.db2.gz SVMZEXJNRYFPCZ-AWEZNQCLSA-N 1 2 329.469 3.806 20 0 EHADLO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(F)C(F)(F)F ZINC000788292717 1134108894 /nfs/dbraw/zinc/10/88/94/1134108894.db2.gz JLDHYKQYWVADAH-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](F)C(F)(F)F ZINC000788292717 1134108899 /nfs/dbraw/zinc/10/88/99/1134108899.db2.gz JLDHYKQYWVADAH-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000774914891 1134122723 /nfs/dbraw/zinc/12/27/23/1134122723.db2.gz XMHDDSQEHIRGIQ-UYAOXDASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000774914891 1134122726 /nfs/dbraw/zinc/12/27/26/1134122726.db2.gz XMHDDSQEHIRGIQ-UYAOXDASSA-N 1 2 345.870 3.973 20 0 EHADLO COC(=O)c1nccnc1Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C ZINC001185793519 1134137512 /nfs/dbraw/zinc/13/75/12/1134137512.db2.gz OTIKSDNTVWBKLR-AWEZNQCLSA-N 1 2 340.427 3.694 20 0 EHADLO COC(=O)c1nccnc1Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C ZINC001185793519 1134137514 /nfs/dbraw/zinc/13/75/14/1134137514.db2.gz OTIKSDNTVWBKLR-AWEZNQCLSA-N 1 2 340.427 3.694 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2cccc(Cl)c2)nc(C2CCC2)[nH+]1 ZINC001185880913 1134149372 /nfs/dbraw/zinc/14/93/72/1134149372.db2.gz DZBSVYYIPRLOKZ-UHFFFAOYSA-N 1 2 344.846 3.781 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788613977 1134151695 /nfs/dbraw/zinc/15/16/95/1134151695.db2.gz YYDLDQDKMSMRNS-CBAPKCEASA-N 1 2 342.212 4.000 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccccc1SC(C)(C)C ZINC000788753902 1134165144 /nfs/dbraw/zinc/16/51/44/1134165144.db2.gz NMPZDJIRLRLDLW-ZDUSSCGKSA-N 1 2 345.516 3.825 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000788835769 1134180166 /nfs/dbraw/zinc/18/01/66/1134180166.db2.gz ZIHHLZZDVLHMSW-WCRPCQDQSA-N 1 2 342.826 3.818 20 0 EHADLO CC1=C(Br)CN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001186275609 1134192064 /nfs/dbraw/zinc/19/20/64/1134192064.db2.gz OUSWHZTXZYRDGN-UHFFFAOYSA-N 1 2 343.228 3.762 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)ccc1SC(F)F ZINC000788983883 1134200853 /nfs/dbraw/zinc/20/08/53/1134200853.db2.gz NZAAZCZVRJUGRM-UWVGGRQHSA-N 1 2 342.415 3.550 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000789285349 1134248783 /nfs/dbraw/zinc/24/87/83/1134248783.db2.gz PDOOJKGCJGZEFZ-HNNXBMFYSA-N 1 2 334.851 3.556 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000789285349 1134248789 /nfs/dbraw/zinc/24/87/89/1134248789.db2.gz PDOOJKGCJGZEFZ-HNNXBMFYSA-N 1 2 334.851 3.556 20 0 EHADLO CCc1cc(N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)nc(C)[nH+]1 ZINC001186923403 1134275735 /nfs/dbraw/zinc/27/57/35/1134275735.db2.gz VHQYBWDJSVGCTO-KRWDZBQOSA-N 1 2 341.455 3.878 20 0 EHADLO COC(=O)c1cc(Cl)nc(Cl)c1Nc1cc(C)c[nH+]c1C ZINC001203656430 1134311422 /nfs/dbraw/zinc/31/14/22/1134311422.db2.gz SKQMNWPKBLIOEA-UHFFFAOYSA-N 1 2 326.183 3.930 20 0 EHADLO Fc1ccccc1-n1ncc2c1nc[nH+]c2NCC[C@@H]1CCSC1 ZINC001187316327 1134326391 /nfs/dbraw/zinc/32/63/91/1134326391.db2.gz XMMMDBDVPSOKCV-GFCCVEGCSA-N 1 2 343.431 3.510 20 0 EHADLO Cc1nc(NCC[C@H]2CC[C@@H](C(F)(F)F)O2)c2c([nH+]1)CCCC2 ZINC001187560021 1134344722 /nfs/dbraw/zinc/34/47/22/1134344722.db2.gz WTOCYGPKTLITSX-RISCZKNCSA-N 1 2 329.366 3.576 20 0 EHADLO Cc1nc(NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c2c([nH+]1)CCCC2 ZINC001187560022 1134344953 /nfs/dbraw/zinc/34/49/53/1134344953.db2.gz WTOCYGPKTLITSX-SMDDNHRTSA-N 1 2 329.366 3.576 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)cc(F)c1 ZINC001187570362 1134353843 /nfs/dbraw/zinc/35/38/43/1134353843.db2.gz QRAGGXDESJQNMI-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO Cc1[nH]c(CNc2cc(SCc3ccccc3)ncn2)[nH+]c1C ZINC001187677100 1134365836 /nfs/dbraw/zinc/36/58/36/1134365836.db2.gz IKUUPZMOJMEUQK-UHFFFAOYSA-N 1 2 325.441 3.721 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](c3ccn(C)n3)C2)nc(C(C)C)[nH+]1 ZINC001187647636 1134367545 /nfs/dbraw/zinc/36/75/45/1134367545.db2.gz NCNCLBASMLXTNQ-HNNXBMFYSA-N 1 2 327.476 3.841 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000775139379 1134370520 /nfs/dbraw/zinc/37/05/20/1134370520.db2.gz ZASYKWIWBYTTHN-CQSZACIVSA-N 1 2 338.377 3.658 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000775139379 1134370528 /nfs/dbraw/zinc/37/05/28/1134370528.db2.gz ZASYKWIWBYTTHN-CQSZACIVSA-N 1 2 338.377 3.658 20 0 EHADLO CCCCCCOCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156592 1134376564 /nfs/dbraw/zinc/37/65/64/1134376564.db2.gz FKNMWDXVCCYLIQ-UHFFFAOYSA-N 1 2 347.503 3.522 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3ccc(C)c(F)c3)c[nH+]c12 ZINC001188006813 1134411366 /nfs/dbraw/zinc/41/13/66/1134411366.db2.gz FIYGWNLHZSEERG-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO CC(C)CCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790423151 1134414459 /nfs/dbraw/zinc/41/44/59/1134414459.db2.gz MYCCVUGSAFKUCA-UHFFFAOYSA-N 1 2 348.468 3.641 20 0 EHADLO COc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1C ZINC001188070912 1134422897 /nfs/dbraw/zinc/42/28/97/1134422897.db2.gz BUDVETXKINURGW-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)c1nnnn1C1CC1 ZINC000790756058 1134458260 /nfs/dbraw/zinc/45/82/60/1134458260.db2.gz QABHRNJFDUADGH-NOZJJQNGSA-N 1 2 335.864 3.549 20 0 EHADLO O=C(NCc1c[nH+]c2ccc(F)cn12)Nc1ccc2ccccc2c1 ZINC001188632224 1134491745 /nfs/dbraw/zinc/49/17/45/1134491745.db2.gz TXYVXYSIQJIBCC-UHFFFAOYSA-N 1 2 334.354 3.948 20 0 EHADLO Cc1ccccc1OCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791276441 1134525412 /nfs/dbraw/zinc/52/54/12/1134525412.db2.gz WWUMVJDISLBYGY-UHFFFAOYSA-N 1 2 336.391 3.611 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791274024 1134525514 /nfs/dbraw/zinc/52/55/14/1134525514.db2.gz JSSREDIPOADYNY-UHFFFAOYSA-N 1 2 339.395 3.958 20 0 EHADLO Cc1ccc(OCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791296662 1134526894 /nfs/dbraw/zinc/52/68/94/1134526894.db2.gz REQLFHUBHHCINJ-UHFFFAOYSA-N 1 2 336.391 3.611 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(NC2CC2)nc1 ZINC000791340455 1134533617 /nfs/dbraw/zinc/53/36/17/1134533617.db2.gz NRSROCCBLBKPJZ-UHFFFAOYSA-N 1 2 348.406 3.507 20 0 EHADLO Cc1nc(SCc2c[nH+]c(N(C)C)c3ccccc23)[nH]c(=O)c1C ZINC001189062503 1134538669 /nfs/dbraw/zinc/53/86/69/1134538669.db2.gz XOHLRGKSFZGLIK-UHFFFAOYSA-N 1 2 340.452 3.706 20 0 EHADLO Cc1c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cnn1C(C)C ZINC000791431387 1134549211 /nfs/dbraw/zinc/54/92/11/1134549211.db2.gz PVUJDFAMEKDMQS-UHFFFAOYSA-N 1 2 338.411 3.624 20 0 EHADLO CCc1c(C(=O)OCc2cc[nH+]c(N(C)C)c2)cnn1C(CC)CC ZINC000791581577 1134571309 /nfs/dbraw/zinc/57/13/09/1134571309.db2.gz PIVJZMGTVXYVJZ-UHFFFAOYSA-N 1 2 344.459 3.625 20 0 EHADLO C[C@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000791901792 1134624265 /nfs/dbraw/zinc/62/42/65/1134624265.db2.gz KQVHPZWGHFVSFF-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)cc1 ZINC000775353286 1134661103 /nfs/dbraw/zinc/66/11/03/1134661103.db2.gz SZPRXBYUBHUFAO-CYBMUJFWSA-N 1 2 349.500 3.956 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)OC[C@@H](C)OC)c1cccc(C(F)(F)F)c1 ZINC000780447943 1134671288 /nfs/dbraw/zinc/67/12/88/1134671288.db2.gz KNJUJGFEHVZNMH-IUODEOHRSA-N 1 2 347.377 3.666 20 0 EHADLO Cc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000792591849 1134731235 /nfs/dbraw/zinc/73/12/35/1134731235.db2.gz PDWQOPOIZFDLQH-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO Cc1cc([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)ccc1N(C)C ZINC001170354219 1134754209 /nfs/dbraw/zinc/75/42/09/1134754209.db2.gz QGXBZRBLKODGBL-UHFFFAOYSA-N 1 2 331.504 3.758 20 0 EHADLO Cc1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)ccc1[NH+](C)C ZINC001170354219 1134754216 /nfs/dbraw/zinc/75/42/16/1134754216.db2.gz QGXBZRBLKODGBL-UHFFFAOYSA-N 1 2 331.504 3.758 20 0 EHADLO O=C(CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)NCc1ccco1 ZINC001170384149 1134768037 /nfs/dbraw/zinc/76/80/37/1134768037.db2.gz PGAROXHMTAASQI-UHFFFAOYSA-N 1 2 346.390 3.551 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC001191085680 1134799794 /nfs/dbraw/zinc/79/97/94/1134799794.db2.gz PDONKGLSADTWBM-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC001191085680 1134799800 /nfs/dbraw/zinc/79/98/00/1134799800.db2.gz PDONKGLSADTWBM-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(C)cc1C ZINC000792864481 1134801773 /nfs/dbraw/zinc/80/17/73/1134801773.db2.gz DEVIIENKFSPPLL-UHFFFAOYSA-N 1 2 330.334 3.845 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC001191138774 1134809488 /nfs/dbraw/zinc/80/94/88/1134809488.db2.gz OCLQHHOWHQJFEY-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)Cc1ccccc1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001191145950 1134811702 /nfs/dbraw/zinc/81/17/02/1134811702.db2.gz SSUFPLBRWYEOOU-UHFFFAOYSA-N 1 2 345.508 3.921 20 0 EHADLO CC(C)Cc1ccccc1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001191145950 1134811713 /nfs/dbraw/zinc/81/17/13/1134811713.db2.gz SSUFPLBRWYEOOU-UHFFFAOYSA-N 1 2 345.508 3.921 20 0 EHADLO C[C@]12CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]1C2(Cl)Cl ZINC000792903774 1134817753 /nfs/dbraw/zinc/81/77/53/1134817753.db2.gz OPCRHQKKANHJNH-OCCSQVGLSA-N 1 2 347.673 3.794 20 0 EHADLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]1C2(Cl)Cl ZINC000792903774 1134817763 /nfs/dbraw/zinc/81/77/63/1134817763.db2.gz OPCRHQKKANHJNH-OCCSQVGLSA-N 1 2 347.673 3.794 20 0 EHADLO Cc1cc(NCc2cc(F)cc3c2OCOC3)nc(C(C)(C)C)[nH+]1 ZINC000077962264 1134818033 /nfs/dbraw/zinc/81/80/33/1134818033.db2.gz FJIAZGVOEGQMDH-UHFFFAOYSA-N 1 2 331.391 3.700 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792902686 1134818289 /nfs/dbraw/zinc/81/82/89/1134818289.db2.gz MDONSOXJTJWUHS-YVLXSGLVSA-N 1 2 345.245 3.668 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792902686 1134818293 /nfs/dbraw/zinc/81/82/93/1134818293.db2.gz MDONSOXJTJWUHS-YVLXSGLVSA-N 1 2 345.245 3.668 20 0 EHADLO Cc1ccc(F)cc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191411005 1134861824 /nfs/dbraw/zinc/86/18/24/1134861824.db2.gz XDDHZEIOXUXGRK-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)n1 ZINC000793154848 1134863936 /nfs/dbraw/zinc/86/39/36/1134863936.db2.gz UIOVQFFWDHPZQY-UKRRQHHQSA-N 1 2 339.505 3.519 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc2ccccc2cc1OC(F)F ZINC000793252155 1134890270 /nfs/dbraw/zinc/89/02/70/1134890270.db2.gz WMQOMOHIOYQLPS-UHFFFAOYSA-N 1 2 346.333 3.574 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](F)CC2CCCCC2)c1C ZINC000793281563 1134900533 /nfs/dbraw/zinc/90/05/33/1134900533.db2.gz SDIOPPSQGDEWNZ-INIZCTEOSA-N 1 2 336.451 3.974 20 0 EHADLO Fc1ncccc1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000793282981 1134901739 /nfs/dbraw/zinc/90/17/39/1134901739.db2.gz DAHHLEBJTPGZOB-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CC(C)n1ncc2cc(C[NH+]3CCC(F)(F)CC3)c(Cl)nc21 ZINC000793360475 1134909780 /nfs/dbraw/zinc/90/97/80/1134909780.db2.gz WJYKFCXOTGHMFN-UHFFFAOYSA-N 1 2 328.794 3.897 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCSC1 ZINC000793392076 1134922722 /nfs/dbraw/zinc/92/27/22/1134922722.db2.gz XRFAJTCMYPWJOU-CQSZACIVSA-N 1 2 328.437 3.545 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCOCC1 ZINC000793391181 1134923162 /nfs/dbraw/zinc/92/31/62/1134923162.db2.gz NAHWPLXWAGKVOR-INIZCTEOSA-N 1 2 340.423 3.609 20 0 EHADLO CCOC(=O)c1cnc(Nc2ccc([NH+]3CCCCC3)cc2)nc1C ZINC000775483034 1134925538 /nfs/dbraw/zinc/92/55/38/1134925538.db2.gz CHHPWSJVBITXMU-UHFFFAOYSA-N 1 2 340.427 3.696 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CCc2ccsc2C1 ZINC000793510268 1134942945 /nfs/dbraw/zinc/94/29/45/1134942945.db2.gz ADYVYPXMWRYXHX-SFHVURJKSA-N 1 2 340.492 3.545 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CCc2ccsc2C1 ZINC000793510268 1134942952 /nfs/dbraw/zinc/94/29/52/1134942952.db2.gz ADYVYPXMWRYXHX-SFHVURJKSA-N 1 2 340.492 3.545 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)oc21 ZINC000747127588 1134945581 /nfs/dbraw/zinc/94/55/81/1134945581.db2.gz WJFDEBMUZHBKES-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000796742458 1134974618 /nfs/dbraw/zinc/97/46/18/1134974618.db2.gz HDOBYOWOJNYHSV-UHFFFAOYSA-N 1 2 328.403 3.513 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000796742458 1134974624 /nfs/dbraw/zinc/97/46/24/1134974624.db2.gz HDOBYOWOJNYHSV-UHFFFAOYSA-N 1 2 328.403 3.513 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)cnc1Cl ZINC001192534056 1135032732 /nfs/dbraw/zinc/03/27/32/1135032732.db2.gz UWBFJFBYZKUKNN-UHFFFAOYSA-N 1 2 339.848 3.537 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000775545067 1135048492 /nfs/dbraw/zinc/04/84/92/1135048492.db2.gz AJJFSFHPURQBJH-JQWIXIFHSA-N 1 2 341.381 3.749 20 0 EHADLO COc1cccc([C@H](C)NC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001192844835 1135063912 /nfs/dbraw/zinc/06/39/12/1135063912.db2.gz MXQYHHDJDBHNRD-AWEZNQCLSA-N 1 2 336.395 3.764 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001193051365 1135087942 /nfs/dbraw/zinc/08/79/42/1135087942.db2.gz SLSYQGNDPFSUNE-INIZCTEOSA-N 1 2 340.471 3.645 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC001193187817 1135116585 /nfs/dbraw/zinc/11/65/85/1135116585.db2.gz HSEYIPBHFJDAIN-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1)c1ccccc1 ZINC001129649081 1135131074 /nfs/dbraw/zinc/13/10/74/1135131074.db2.gz POFWDPPQZXHUIA-MRXNPFEDSA-N 1 2 349.434 3.533 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684542 1135171839 /nfs/dbraw/zinc/17/18/39/1135171839.db2.gz BKFUEGNWNOCDGL-XHDPSFHLSA-N 1 2 346.254 3.646 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684542 1135171840 /nfs/dbraw/zinc/17/18/40/1135171840.db2.gz BKFUEGNWNOCDGL-XHDPSFHLSA-N 1 2 346.254 3.646 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001170468587 1135205539 /nfs/dbraw/zinc/20/55/39/1135205539.db2.gz GQFXBZPXGUVUJY-MSOLQXFVSA-N 1 2 332.463 3.691 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](F)C2)cc1 ZINC001170468587 1135205541 /nfs/dbraw/zinc/20/55/41/1135205541.db2.gz GQFXBZPXGUVUJY-MSOLQXFVSA-N 1 2 332.463 3.691 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001194108017 1135227496 /nfs/dbraw/zinc/22/74/96/1135227496.db2.gz NIEMEICDICHTNK-OAHLLOKOSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001194108017 1135227498 /nfs/dbraw/zinc/22/74/98/1135227498.db2.gz NIEMEICDICHTNK-OAHLLOKOSA-N 1 2 339.867 3.568 20 0 EHADLO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC001194308321 1135254633 /nfs/dbraw/zinc/25/46/33/1135254633.db2.gz ZUQNOERJAQZSLQ-GFCCVEGCSA-N 1 2 348.231 3.854 20 0 EHADLO OCC[C@H]1CCCCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC001194308321 1135254639 /nfs/dbraw/zinc/25/46/39/1135254639.db2.gz ZUQNOERJAQZSLQ-GFCCVEGCSA-N 1 2 348.231 3.854 20 0 EHADLO COc1ccc(OC(=O)N[C@@H](C)c2c[nH+]c3c(C)cccn23)cc1 ZINC001194557975 1135285504 /nfs/dbraw/zinc/28/55/04/1135285504.db2.gz MUUMBGGHTRNIDL-ZDUSSCGKSA-N 1 2 325.368 3.501 20 0 EHADLO Cc1nc(Cl)c(Cl)cc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000805721245 1135320715 /nfs/dbraw/zinc/32/07/15/1135320715.db2.gz AYUZCHCCHMYWQD-UHFFFAOYSA-N 1 2 340.210 3.515 20 0 EHADLO CC[N@H+](Cc1cn(Cc2ccccc2)nn1)[C@@H](C)c1cccc(O)c1 ZINC000775615109 1135324326 /nfs/dbraw/zinc/32/43/26/1135324326.db2.gz SZNYETROYCKHFC-INIZCTEOSA-N 1 2 336.439 3.615 20 0 EHADLO CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)[C@@H](C)c1cccc(O)c1 ZINC000775615109 1135324332 /nfs/dbraw/zinc/32/43/32/1135324332.db2.gz SZNYETROYCKHFC-INIZCTEOSA-N 1 2 336.439 3.615 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc(CCC)n1 ZINC000805775006 1135324713 /nfs/dbraw/zinc/32/47/13/1135324713.db2.gz XFQPLRZTPRTETJ-OAHLLOKOSA-N 1 2 339.505 3.586 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1csc(CCC)n1 ZINC000805775006 1135324717 /nfs/dbraw/zinc/32/47/17/1135324717.db2.gz XFQPLRZTPRTETJ-OAHLLOKOSA-N 1 2 339.505 3.586 20 0 EHADLO Cc1nc2sccc2c(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)n1 ZINC001194886570 1135329195 /nfs/dbraw/zinc/32/91/95/1135329195.db2.gz HMRCEMRGNFKIOK-UHFFFAOYSA-N 1 2 349.419 3.653 20 0 EHADLO CC[C@@H]1C[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C[C@@H](CC)O1 ZINC001195299283 1135409231 /nfs/dbraw/zinc/40/92/31/1135409231.db2.gz MULHJXILQYQMFO-IOASZLSFSA-N 1 2 331.378 3.628 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)on1 ZINC001195766833 1135462912 /nfs/dbraw/zinc/46/29/12/1135462912.db2.gz GSGSWYDBVIEJNZ-YPMHNXCESA-N 1 2 347.846 3.625 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)on1 ZINC001195766833 1135462915 /nfs/dbraw/zinc/46/29/15/1135462915.db2.gz GSGSWYDBVIEJNZ-YPMHNXCESA-N 1 2 347.846 3.625 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000775669506 1135465637 /nfs/dbraw/zinc/46/56/37/1135465637.db2.gz AEYYVCXOUYUWPL-NVXWUHKLSA-N 1 2 345.874 3.797 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@H](C)c2nccn2-c2ccccc2)c1C ZINC000806612628 1135470405 /nfs/dbraw/zinc/47/04/05/1135470405.db2.gz IBNGSBMOEPNMOZ-MRXNPFEDSA-N 1 2 336.439 3.744 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1C ZINC000806612628 1135470407 /nfs/dbraw/zinc/47/04/07/1135470407.db2.gz IBNGSBMOEPNMOZ-MRXNPFEDSA-N 1 2 336.439 3.744 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2ccc(-c3ccc(F)cc3F)cc2)[nH+]1 ZINC001195832031 1135477965 /nfs/dbraw/zinc/47/79/65/1135477965.db2.gz LATAKZJALHMZGX-UHFFFAOYSA-N 1 2 341.361 3.636 20 0 EHADLO Cc1ccc(F)cc1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001195890801 1135481095 /nfs/dbraw/zinc/48/10/95/1135481095.db2.gz WRNQGXWBNFPRLU-UHFFFAOYSA-N 1 2 345.443 3.769 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679979 1135504431 /nfs/dbraw/zinc/50/44/31/1135504431.db2.gz YBGXJMDLXVVBFS-HZSPNIEDSA-N 1 2 336.863 3.523 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679979 1135504434 /nfs/dbraw/zinc/50/44/34/1135504434.db2.gz YBGXJMDLXVVBFS-HZSPNIEDSA-N 1 2 336.863 3.523 20 0 EHADLO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2O)[NH+]2CCCC2)o1 ZINC000775689194 1135524617 /nfs/dbraw/zinc/52/46/17/1135524617.db2.gz AJVZGPWCEVELMD-OAHLLOKOSA-N 1 2 348.830 3.514 20 0 EHADLO Cc1cccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000775709759 1135548543 /nfs/dbraw/zinc/54/85/43/1135548543.db2.gz XSKUUUWHPFJREW-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC001196402107 1135555958 /nfs/dbraw/zinc/55/59/58/1135555958.db2.gz GYBSYJXPIAHJTM-CYBMUJFWSA-N 1 2 333.863 3.760 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC001196402107 1135555963 /nfs/dbraw/zinc/55/59/63/1135555963.db2.gz GYBSYJXPIAHJTM-CYBMUJFWSA-N 1 2 333.863 3.760 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC001131023925 1135562202 /nfs/dbraw/zinc/56/22/02/1135562202.db2.gz SHQGNQWEEWSSOD-HOTGVXAUSA-N 1 2 330.472 3.863 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CSC(C)C)n2)C1 ZINC000867184195 1135583936 /nfs/dbraw/zinc/58/39/36/1135583936.db2.gz TYGXOISMPYEXIJ-INIZCTEOSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CSC(C)C)n2)C1 ZINC000867184195 1135583941 /nfs/dbraw/zinc/58/39/41/1135583941.db2.gz TYGXOISMPYEXIJ-INIZCTEOSA-N 1 2 347.484 3.593 20 0 EHADLO CC(C)Oc1c(F)ccc(C(=O)NCc2c[nH+]cn2C2CCC2)c1F ZINC001196933174 1135627619 /nfs/dbraw/zinc/62/76/19/1135627619.db2.gz SDBXTINRAQFMRQ-UHFFFAOYSA-N 1 2 349.381 3.604 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3ccccc3F)CC2)C1 ZINC000808167813 1135629806 /nfs/dbraw/zinc/62/98/06/1135629806.db2.gz IKHBMBCNMNPQCK-FQEVSTJZSA-N 1 2 330.447 3.911 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229026 1135632758 /nfs/dbraw/zinc/63/27/58/1135632758.db2.gz YYTVKEHRWOEGMS-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229026 1135632761 /nfs/dbraw/zinc/63/27/61/1135632761.db2.gz YYTVKEHRWOEGMS-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001197352217 1135677165 /nfs/dbraw/zinc/67/71/65/1135677165.db2.gz SEPMVMTYKXFVFW-CQSZACIVSA-N 1 2 332.407 3.665 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)[nH+]c12 ZINC001131339206 1135685625 /nfs/dbraw/zinc/68/56/25/1135685625.db2.gz WYQGVZZMVIQWIN-JOCHJYFZSA-N 1 2 347.462 3.669 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccco1 ZINC000102886083 1135688206 /nfs/dbraw/zinc/68/82/06/1135688206.db2.gz XOVHNTWJORXSDJ-CQSZACIVSA-N 1 2 332.473 3.916 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccco1 ZINC000102886083 1135688213 /nfs/dbraw/zinc/68/82/13/1135688213.db2.gz XOVHNTWJORXSDJ-CQSZACIVSA-N 1 2 332.473 3.916 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCC2)nc1-c1ccco1 ZINC000102886085 1135688386 /nfs/dbraw/zinc/68/83/86/1135688386.db2.gz XOVHNTWJORXSDJ-AWEZNQCLSA-N 1 2 332.473 3.916 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCC2)nc1-c1ccco1 ZINC000102886085 1135688390 /nfs/dbraw/zinc/68/83/90/1135688390.db2.gz XOVHNTWJORXSDJ-AWEZNQCLSA-N 1 2 332.473 3.916 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)CCC(=O)C(C)C)c1 ZINC000808753858 1135728445 /nfs/dbraw/zinc/72/84/45/1135728445.db2.gz AURBYAFKGKFBBR-UHFFFAOYSA-N 1 2 328.250 3.505 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)CCC(=O)C(C)C)c1 ZINC000808753858 1135728449 /nfs/dbraw/zinc/72/84/49/1135728449.db2.gz AURBYAFKGKFBBR-UHFFFAOYSA-N 1 2 328.250 3.505 20 0 EHADLO CC[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000808947356 1135759570 /nfs/dbraw/zinc/75/95/70/1135759570.db2.gz QAKMRJXEPXBQOP-GOSISDBHSA-N 1 2 339.370 3.774 20 0 EHADLO COc1cccc(-c2nnc(C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)o2)c1 ZINC000081575207 1135790247 /nfs/dbraw/zinc/79/02/47/1135790247.db2.gz GSNJWWNLNSYUAW-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1cccc(-c2nnc(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)o2)c1 ZINC000081575207 1135790252 /nfs/dbraw/zinc/79/02/52/1135790252.db2.gz GSNJWWNLNSYUAW-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318105 1135799934 /nfs/dbraw/zinc/79/99/34/1135799934.db2.gz LVNPLSNTRNVYPL-GXFFZTMASA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318105 1135799937 /nfs/dbraw/zinc/79/99/37/1135799937.db2.gz LVNPLSNTRNVYPL-GXFFZTMASA-N 1 2 328.225 3.514 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1CC[C@@H]1CCC[C@@H](C)C1 ZINC001198387343 1135807599 /nfs/dbraw/zinc/80/75/99/1135807599.db2.gz HXKNQBMMQRISSS-GJYPPUQNSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1CC[C@@H]1CCC[C@@H](C)C1 ZINC001198387343 1135807604 /nfs/dbraw/zinc/80/76/04/1135807604.db2.gz HXKNQBMMQRISSS-GJYPPUQNSA-N 1 2 331.456 3.812 20 0 EHADLO COc1c(C)c[nH+]c(CNC2(C(=O)OC(C)(C)C)CCCCC2)c1C ZINC001198491292 1135823136 /nfs/dbraw/zinc/82/31/36/1135823136.db2.gz QWIIKCJUYVZEKK-UHFFFAOYSA-N 1 2 348.487 3.841 20 0 EHADLO CC[C@H]1CCC[C@@]1(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131737162 1135846087 /nfs/dbraw/zinc/84/60/87/1135846087.db2.gz KOCKCCOZXAZMTL-GHTZIAJQSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1ccc2ncc(-c3noc(-c4ccc(-n5cc[nH+]c5)cc4)n3)n2c1 ZINC000809531020 1135847542 /nfs/dbraw/zinc/84/75/42/1135847542.db2.gz CNJOIOSPOKLGSR-UHFFFAOYSA-N 1 2 342.362 3.545 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001131842182 1135873724 /nfs/dbraw/zinc/87/37/24/1135873724.db2.gz IQIZUZQGHZFUAC-OAHLLOKOSA-N 1 2 343.496 3.786 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000809779576 1135889847 /nfs/dbraw/zinc/88/98/47/1135889847.db2.gz SKVASOHCVFJWMM-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000809779576 1135889851 /nfs/dbraw/zinc/88/98/51/1135889851.db2.gz SKVASOHCVFJWMM-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO Cc1cccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1C ZINC001199376946 1135902220 /nfs/dbraw/zinc/90/22/20/1135902220.db2.gz SYDBYROIHHWISK-UHFFFAOYSA-N 1 2 340.467 3.627 20 0 EHADLO O=C(C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1)C(F)(F)F ZINC000776008442 1135919565 /nfs/dbraw/zinc/91/95/65/1135919565.db2.gz LLXXSKQEZRHCDQ-UHFFFAOYSA-N 1 2 332.391 3.754 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)c(Cl)n1 ZINC001199705093 1135920811 /nfs/dbraw/zinc/92/08/11/1135920811.db2.gz YMSSAXIFOUMVEN-UHFFFAOYSA-N 1 2 332.835 3.710 20 0 EHADLO O=c1[nH]c2ccc(C[NH2+][C@H](c3nccs3)c3ccccc3)cc2[nH]1 ZINC001199925984 1135938929 /nfs/dbraw/zinc/93/89/29/1135938929.db2.gz RWVYUVAGEYEIKI-INIZCTEOSA-N 1 2 336.420 3.604 20 0 EHADLO COc1csc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001273845116 1135955114 /nfs/dbraw/zinc/95/51/14/1135955114.db2.gz CRSOSENQBNCGBZ-UHFFFAOYSA-N 1 2 347.827 3.526 20 0 EHADLO C[NH+](C)[C@H](CNC(=S)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001200916578 1135965117 /nfs/dbraw/zinc/96/51/17/1135965117.db2.gz YTWACNBPEHVOSZ-CYBMUJFWSA-N 1 2 348.343 3.859 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCC1CCCCC1 ZINC000810597779 1135975841 /nfs/dbraw/zinc/97/58/41/1135975841.db2.gz NSSXFTAODWAUPQ-UHFFFAOYSA-N 1 2 326.440 3.988 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001200996873 1135975928 /nfs/dbraw/zinc/97/59/28/1135975928.db2.gz DRYKAWXRLDNJQI-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2ccccc2C(F)(F)F)n1 ZINC001201276045 1136003150 /nfs/dbraw/zinc/00/31/50/1136003150.db2.gz PGJIHHKYECRBDL-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001170615293 1136004761 /nfs/dbraw/zinc/00/47/61/1136004761.db2.gz XRTOAIPPQPYGAO-HNNXBMFYSA-N 1 2 339.398 3.540 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001170615293 1136004764 /nfs/dbraw/zinc/00/47/64/1136004764.db2.gz XRTOAIPPQPYGAO-HNNXBMFYSA-N 1 2 339.398 3.540 20 0 EHADLO O=C(Nc1ccc(Nc2[nH+]cccc2CCO)cc1)c1ccccc1 ZINC001201313185 1136006180 /nfs/dbraw/zinc/00/61/80/1136006180.db2.gz WRUYISJHCNIHCA-UHFFFAOYSA-N 1 2 333.391 3.612 20 0 EHADLO C[N@H+](CCc1ccccn1)C/C(Br)=C/c1ccccc1 ZINC001201448314 1136025529 /nfs/dbraw/zinc/02/55/29/1136025529.db2.gz ZLWWYGRDMPDGSD-SSZFMOIBSA-N 1 2 331.257 3.992 20 0 EHADLO C[N@@H+](CCc1ccccn1)C/C(Br)=C/c1ccccc1 ZINC001201448314 1136025533 /nfs/dbraw/zinc/02/55/33/1136025533.db2.gz ZLWWYGRDMPDGSD-SSZFMOIBSA-N 1 2 331.257 3.992 20 0 EHADLO OCC[N@H+](C/C(Br)=C/c1ccccc1)Cc1ccccc1 ZINC001201447163 1136025668 /nfs/dbraw/zinc/02/56/68/1136025668.db2.gz OBGCFLNEXJWTOK-AQTBWJFISA-N 1 2 346.268 3.917 20 0 EHADLO OCC[N@@H+](C/C(Br)=C/c1ccccc1)Cc1ccccc1 ZINC001201447163 1136025670 /nfs/dbraw/zinc/02/56/70/1136025670.db2.gz OBGCFLNEXJWTOK-AQTBWJFISA-N 1 2 346.268 3.917 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cncc(O)c1 ZINC001201636410 1136045279 /nfs/dbraw/zinc/04/52/79/1136045279.db2.gz YMQRUTAKFLRMGC-UHFFFAOYSA-N 1 2 333.189 3.558 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132621152 1136046587 /nfs/dbraw/zinc/04/65/87/1136046587.db2.gz CGQHAMCLRPCQRI-YWZLYKJASA-N 1 2 338.451 3.780 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132621152 1136046590 /nfs/dbraw/zinc/04/65/90/1136046590.db2.gz CGQHAMCLRPCQRI-YWZLYKJASA-N 1 2 338.451 3.780 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C ZINC000747674924 1136049977 /nfs/dbraw/zinc/04/99/77/1136049977.db2.gz AKIRNKLQUQIFMC-NSHDSACASA-N 1 2 344.480 3.823 20 0 EHADLO C/C(=C\C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(F)cc1 ZINC001132815758 1136087678 /nfs/dbraw/zinc/08/76/78/1136087678.db2.gz SOPIKJBUPXXYTL-YFIXDKARSA-N 1 2 349.409 3.983 20 0 EHADLO COc1cc2c(cc1CNc1[nH+]cccc1OC(C)C)O[C@H](C)C2 ZINC001202032002 1136089369 /nfs/dbraw/zinc/08/93/69/1136089369.db2.gz VEHQMNHEWOQMQK-CYBMUJFWSA-N 1 2 328.412 3.813 20 0 EHADLO Brc1ccoc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518275 1136098327 /nfs/dbraw/zinc/09/83/27/1136098327.db2.gz ITJBBDRCCFEMLD-GXTWGEPZSA-N 1 2 326.234 3.576 20 0 EHADLO Brc1ccoc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518275 1136098330 /nfs/dbraw/zinc/09/83/30/1136098330.db2.gz ITJBBDRCCFEMLD-GXTWGEPZSA-N 1 2 326.234 3.576 20 0 EHADLO CCOc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202138282 1136098751 /nfs/dbraw/zinc/09/87/51/1136098751.db2.gz QMYVCFFJYVTKJH-UHFFFAOYSA-N 1 2 341.411 3.556 20 0 EHADLO Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)c1 ZINC001202305720 1136120413 /nfs/dbraw/zinc/12/04/13/1136120413.db2.gz YMLMNCRADLTWDJ-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)c1 ZINC001202305720 1136120418 /nfs/dbraw/zinc/12/04/18/1136120418.db2.gz YMLMNCRADLTWDJ-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811730312 1136131648 /nfs/dbraw/zinc/13/16/48/1136131648.db2.gz IRFQVFUCAOTLLH-RDJZCZTQSA-N 1 2 340.492 3.716 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811730312 1136131650 /nfs/dbraw/zinc/13/16/50/1136131650.db2.gz IRFQVFUCAOTLLH-RDJZCZTQSA-N 1 2 340.492 3.716 20 0 EHADLO c1csc(-c2ccn(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000811790835 1136140879 /nfs/dbraw/zinc/14/08/79/1136140879.db2.gz OJZMBKJPXBSLGD-NVXWUHKLSA-N 1 2 329.469 3.603 20 0 EHADLO c1csc(-c2ccn(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000811790835 1136140881 /nfs/dbraw/zinc/14/08/81/1136140881.db2.gz OJZMBKJPXBSLGD-NVXWUHKLSA-N 1 2 329.469 3.603 20 0 EHADLO CCO[C@@H](CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C)C1CCCC1 ZINC001202395377 1136141712 /nfs/dbraw/zinc/14/17/12/1136141712.db2.gz IAWGOAIKXZNGJV-KRWDZBQOSA-N 1 2 348.491 3.563 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033158 1136146308 /nfs/dbraw/zinc/14/63/08/1136146308.db2.gz RKHFABICDMYZBL-NQIIRXRSSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1ccsc1-c1nn(C[N@H+](C)C[C@@H]2CCCOC2)c(=S)o1 ZINC000107671799 1136175422 /nfs/dbraw/zinc/17/54/22/1136175422.db2.gz XSLWLHCDGHUKGH-LBPRGKRZSA-N 1 2 339.486 3.558 20 0 EHADLO Cc1ccsc1-c1nn(C[N@@H+](C)C[C@@H]2CCCOC2)c(=S)o1 ZINC000107671799 1136175424 /nfs/dbraw/zinc/17/54/24/1136175424.db2.gz XSLWLHCDGHUKGH-LBPRGKRZSA-N 1 2 339.486 3.558 20 0 EHADLO CCCC1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC001133233588 1136192465 /nfs/dbraw/zinc/19/24/65/1136192465.db2.gz SFQTYRAEBSQJTK-UHFFFAOYSA-N 1 2 337.467 3.785 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000747782769 1136195903 /nfs/dbraw/zinc/19/59/03/1136195903.db2.gz PMHZRRVIRWWZOC-ZIAGYGMSSA-N 1 2 325.195 3.574 20 0 EHADLO CC[N@H+](Cn1ccn(-c2ccc(C)cc2C)c1=S)[C@H]1CCOC1 ZINC000812296077 1136196173 /nfs/dbraw/zinc/19/61/73/1136196173.db2.gz MVAVRBCUMQDDHQ-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2ccc(C)cc2C)c1=S)[C@H]1CCOC1 ZINC000812296077 1136196176 /nfs/dbraw/zinc/19/61/76/1136196176.db2.gz MVAVRBCUMQDDHQ-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000850134571 1136213770 /nfs/dbraw/zinc/21/37/70/1136213770.db2.gz AUCJZEDRGIJBMD-UHFFFAOYSA-N 1 2 336.439 3.859 20 0 EHADLO CCCCc1ccc(NC(=S)NCCNc2cccc[nH+]2)cc1 ZINC000007378949 1136239627 /nfs/dbraw/zinc/23/96/27/1136239627.db2.gz YNIPXGJEFVXTSP-UHFFFAOYSA-N 1 2 328.485 3.823 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000850355341 1136240082 /nfs/dbraw/zinc/24/00/82/1136240082.db2.gz GAIQFQWEKKMZTL-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO COC[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc(OC)c1 ZINC000850362573 1136241484 /nfs/dbraw/zinc/24/14/84/1136241484.db2.gz PHPVVLCOSLULCA-AWEZNQCLSA-N 1 2 341.238 3.874 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC001133452433 1136252172 /nfs/dbraw/zinc/25/21/72/1136252172.db2.gz CMFKFPZSVKAELT-UHFFFAOYSA-N 1 2 336.416 3.994 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852092 1136262285 /nfs/dbraw/zinc/26/22/85/1136262285.db2.gz VVWWZVWVIVDDJN-GUYCJALGSA-N 1 2 343.452 3.742 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852092 1136262287 /nfs/dbraw/zinc/26/22/87/1136262287.db2.gz VVWWZVWVIVDDJN-GUYCJALGSA-N 1 2 343.452 3.742 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000850454831 1136262574 /nfs/dbraw/zinc/26/25/74/1136262574.db2.gz OPECFSHWZBJKPG-IRXDYDNUSA-N 1 2 335.513 3.815 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc(-n3cccc3)c[nH+]2)CC1 ZINC001170695657 1136277801 /nfs/dbraw/zinc/27/78/01/1136277801.db2.gz PCWQCSVBCDUCSW-WKILWMFISA-N 1 2 327.428 3.796 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H](O)c1ccc(Cl)cc1F ZINC000813430269 1136336099 /nfs/dbraw/zinc/33/60/99/1136336099.db2.gz XWINLNBPSFASON-OAHLLOKOSA-N 1 2 345.761 3.541 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000851157403 1136344308 /nfs/dbraw/zinc/34/43/08/1136344308.db2.gz OZTYYSJXDPPYKL-STQMWFEESA-N 1 2 344.377 3.674 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)c1 ZINC000338934564 1136360658 /nfs/dbraw/zinc/36/06/58/1136360658.db2.gz BIVLVJBHJGSDCP-KRWDZBQOSA-N 1 2 348.450 3.746 20 0 EHADLO Cc1oc(C(C)C)nc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400634 1136376617 /nfs/dbraw/zinc/37/66/17/1136376617.db2.gz KLDIXRXAAXCXMQ-UHFFFAOYSA-N 1 2 343.427 3.575 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C)o1 ZINC000851805344 1136408849 /nfs/dbraw/zinc/40/88/49/1136408849.db2.gz AKZDCGSMDRIABS-SFHVURJKSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C)o1 ZINC000851805344 1136408854 /nfs/dbraw/zinc/40/88/54/1136408854.db2.gz AKZDCGSMDRIABS-SFHVURJKSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1Oc1cccnc1 ZINC000814181174 1136418156 /nfs/dbraw/zinc/41/81/56/1136418156.db2.gz XDDLGXNQCIFBIZ-KRWDZBQOSA-N 1 2 340.423 3.708 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1Oc1cccnc1 ZINC000814181174 1136418158 /nfs/dbraw/zinc/41/81/58/1136418158.db2.gz XDDLGXNQCIFBIZ-KRWDZBQOSA-N 1 2 340.423 3.708 20 0 EHADLO CCc1oc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1C(=O)OC ZINC000338941429 1136421969 /nfs/dbraw/zinc/42/19/69/1136421969.db2.gz HOOMAVRJYNJWQB-AWEZNQCLSA-N 1 2 335.787 3.505 20 0 EHADLO CCOC(=O)c1csc(C2CC[NH+](CC=C(Cl)Cl)CC2)n1 ZINC000851984839 1136425214 /nfs/dbraw/zinc/42/52/14/1136425214.db2.gz HEDVPTDWJTZBTK-UHFFFAOYSA-N 1 2 349.283 3.818 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000814225602 1136425504 /nfs/dbraw/zinc/42/55/04/1136425504.db2.gz JAEPNPACOVWKJL-INIZCTEOSA-N 1 2 328.485 3.666 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000814225602 1136425508 /nfs/dbraw/zinc/42/55/08/1136425508.db2.gz JAEPNPACOVWKJL-INIZCTEOSA-N 1 2 328.485 3.666 20 0 EHADLO Cc1ccc(N[C@@H](C)c2cccc(N)c2)c(C[NH+]2CCOCC2)c1 ZINC001170734932 1136426150 /nfs/dbraw/zinc/42/61/50/1136426150.db2.gz JGUZBKNYZXKTHR-INIZCTEOSA-N 1 2 325.456 3.583 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000852127353 1136435259 /nfs/dbraw/zinc/43/52/59/1136435259.db2.gz ROWMCPOSMZUCLF-SJKOYZFVSA-N 1 2 329.831 3.943 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000852127353 1136435261 /nfs/dbraw/zinc/43/52/61/1136435261.db2.gz ROWMCPOSMZUCLF-SJKOYZFVSA-N 1 2 329.831 3.943 20 0 EHADLO CC1(C)OC[C@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156774 1136437370 /nfs/dbraw/zinc/43/73/70/1136437370.db2.gz QUYFKJBTLRSZCY-XJKSGUPXSA-N 1 2 349.862 3.895 20 0 EHADLO CC1(C)OC[C@H](C[N@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156774 1136437372 /nfs/dbraw/zinc/43/73/72/1136437372.db2.gz QUYFKJBTLRSZCY-XJKSGUPXSA-N 1 2 349.862 3.895 20 0 EHADLO CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@H](C)C(=O)OC(C)(C)C ZINC000852306126 1136447104 /nfs/dbraw/zinc/44/71/04/1136447104.db2.gz JIAXJUWVRBLREY-CQSZACIVSA-N 1 2 345.439 3.654 20 0 EHADLO CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@H](C)C(=O)OC(C)(C)C ZINC000852306126 1136447109 /nfs/dbraw/zinc/44/71/09/1136447109.db2.gz JIAXJUWVRBLREY-CQSZACIVSA-N 1 2 345.439 3.654 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cccc(F)n2)Cc2ccccc21 ZINC000852317880 1136447723 /nfs/dbraw/zinc/44/77/23/1136447723.db2.gz LIQDHUALDPBOKI-KRWDZBQOSA-N 1 2 342.414 3.662 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc(F)n2)Cc2ccccc21 ZINC000852317880 1136447725 /nfs/dbraw/zinc/44/77/25/1136447725.db2.gz LIQDHUALDPBOKI-KRWDZBQOSA-N 1 2 342.414 3.662 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334454 1136450179 /nfs/dbraw/zinc/45/01/79/1136450179.db2.gz QVGZSLFDAYHKHE-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H](c1ccncc1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334454 1136450181 /nfs/dbraw/zinc/45/01/81/1136450181.db2.gz QVGZSLFDAYHKHE-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc(Cl)n1 ZINC000852485449 1136459731 /nfs/dbraw/zinc/45/97/31/1136459731.db2.gz OOSHMYNLYYHLDA-QGZVFWFLSA-N 1 2 332.831 3.990 20 0 EHADLO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc(Cl)n1 ZINC000852485449 1136459733 /nfs/dbraw/zinc/45/97/33/1136459733.db2.gz OOSHMYNLYYHLDA-QGZVFWFLSA-N 1 2 332.831 3.990 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604754 1136469922 /nfs/dbraw/zinc/46/99/22/1136469922.db2.gz UQHRSFROPJXSDB-HIFRSBDPSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604754 1136469925 /nfs/dbraw/zinc/46/99/25/1136469925.db2.gz UQHRSFROPJXSDB-HIFRSBDPSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)c1ccc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852631214 1136472108 /nfs/dbraw/zinc/47/21/08/1136472108.db2.gz MYZKTDSVNHROLK-UHFFFAOYSA-N 1 2 328.456 3.584 20 0 EHADLO CO[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000814618267 1136480454 /nfs/dbraw/zinc/48/04/54/1136480454.db2.gz BUTXKKZYBOALOR-DOTOQJQBSA-N 1 2 327.428 3.837 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc2c(c1)CCCO2 ZINC000852782073 1136486211 /nfs/dbraw/zinc/48/62/11/1136486211.db2.gz NUTABVUPMZUOOU-GFCCVEGCSA-N 1 2 325.368 3.505 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)n1 ZINC000747971939 1136500283 /nfs/dbraw/zinc/50/02/83/1136500283.db2.gz XJYFLZOCYMSUIY-CVEARBPZSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)n1 ZINC000747971939 1136500287 /nfs/dbraw/zinc/50/02/87/1136500287.db2.gz XJYFLZOCYMSUIY-CVEARBPZSA-N 1 2 328.460 3.521 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c1C ZINC000853081240 1136507005 /nfs/dbraw/zinc/50/70/05/1136507005.db2.gz MCXPAZLWNMTIFO-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO Cc1nc(NCc2ccc(Cl)nc2)c(Br)c(C)[nH+]1 ZINC000853197040 1136517092 /nfs/dbraw/zinc/51/70/92/1136517092.db2.gz NWFLHPVXQSAZKO-UHFFFAOYSA-N 1 2 327.613 3.516 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(C)ccc1F ZINC000338955606 1136517172 /nfs/dbraw/zinc/51/71/72/1136517172.db2.gz CPGHPSBGKRJQQT-UHFFFAOYSA-N 1 2 334.460 3.642 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(C)ccc1F ZINC000338955606 1136517174 /nfs/dbraw/zinc/51/71/74/1136517174.db2.gz CPGHPSBGKRJQQT-UHFFFAOYSA-N 1 2 334.460 3.642 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000853489737 1136537117 /nfs/dbraw/zinc/53/71/17/1136537117.db2.gz VEWGQCLNDCRFDW-UHFFFAOYSA-N 1 2 334.391 3.604 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000853489737 1136537120 /nfs/dbraw/zinc/53/71/20/1136537120.db2.gz VEWGQCLNDCRFDW-UHFFFAOYSA-N 1 2 334.391 3.604 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cn2ncc(Cl)c2C2CC2)cc1OC ZINC000853488839 1136537205 /nfs/dbraw/zinc/53/72/05/1136537205.db2.gz VCUOREZEIKROOA-UHFFFAOYSA-N 1 2 349.862 3.829 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cn2ncc(Cl)c2C2CC2)cc1OC ZINC000853488839 1136537206 /nfs/dbraw/zinc/53/72/06/1136537206.db2.gz VCUOREZEIKROOA-UHFFFAOYSA-N 1 2 349.862 3.829 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000853609153 1136548786 /nfs/dbraw/zinc/54/87/86/1136548786.db2.gz KKTOMUOSJQYOPW-UHFFFAOYSA-N 1 2 329.831 3.743 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccsc2Cl)cc1OC ZINC000853657268 1136553430 /nfs/dbraw/zinc/55/34/30/1136553430.db2.gz BWZDZCJHASGMSU-UHFFFAOYSA-N 1 2 340.832 3.660 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2ccc[nH+]c2N)c1 ZINC000853673030 1136554893 /nfs/dbraw/zinc/55/48/93/1136554893.db2.gz PKNLJWUXUCNNSL-UHFFFAOYSA-N 1 2 329.400 3.898 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccnc2ccccc12 ZINC000853791343 1136564703 /nfs/dbraw/zinc/56/47/03/1136564703.db2.gz FMMBDIMIBSHJGD-UHFFFAOYSA-N 1 2 346.438 3.784 20 0 EHADLO CC1(C)C[N@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1cccnc1 ZINC000854042009 1136582915 /nfs/dbraw/zinc/58/29/15/1136582915.db2.gz UQOZNOLDFOLVDY-ROUUACIJSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1cccnc1 ZINC000854042009 1136582917 /nfs/dbraw/zinc/58/29/17/1136582917.db2.gz UQOZNOLDFOLVDY-ROUUACIJSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000854041078 1136583087 /nfs/dbraw/zinc/58/30/87/1136583087.db2.gz JXWYSYIKETUDAW-UXHICEINSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000854041078 1136583089 /nfs/dbraw/zinc/58/30/89/1136583089.db2.gz JXWYSYIKETUDAW-UXHICEINSA-N 1 2 349.478 3.656 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCOc3cccc(F)c3C2)cc1OC ZINC000338960582 1136621569 /nfs/dbraw/zinc/62/15/69/1136621569.db2.gz CQDUTLMOLYZYOC-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCOc3cccc(F)c3C2)cc1OC ZINC000338960582 1136621571 /nfs/dbraw/zinc/62/15/71/1136621571.db2.gz CQDUTLMOLYZYOC-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854755759 1136641935 /nfs/dbraw/zinc/64/19/35/1136641935.db2.gz SLSMUPUMLGRTGB-UHFFFAOYSA-N 1 2 348.450 3.618 20 0 EHADLO Cc1ccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)c(N(C)C)[nH+]1 ZINC000815859846 1136645458 /nfs/dbraw/zinc/64/54/58/1136645458.db2.gz OOPJTARPCOWGFW-UHFFFAOYSA-N 1 2 342.830 3.772 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3c4ccc(Cl)cc4C[C@@H]3C)ccn12 ZINC001135281494 1136649768 /nfs/dbraw/zinc/64/97/68/1136649768.db2.gz VQYCZZGXOLXFTL-NSHDSACASA-N 1 2 325.799 3.888 20 0 EHADLO O[C@@](C[NH2+]Cc1csc(C2CC2)n1)(c1ccccc1)C(F)(F)F ZINC000113334796 1136697214 /nfs/dbraw/zinc/69/72/14/1136697214.db2.gz SLBLIIPKDYGUAG-HNNXBMFYSA-N 1 2 342.386 3.560 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000776861345 1136748506 /nfs/dbraw/zinc/74/85/06/1136748506.db2.gz VRJHTNNZVSFQMF-UHFFFAOYSA-N 1 2 344.418 3.835 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816869806 1136760004 /nfs/dbraw/zinc/76/00/04/1136760004.db2.gz CIBDAKRVRYTTNK-CYBMUJFWSA-N 1 2 331.375 3.984 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)c2nc3ccccc3s2)cc(C)[nH+]1 ZINC000817158563 1136783003 /nfs/dbraw/zinc/78/30/03/1136783003.db2.gz CYVHARCLQSRMAN-ZDUSSCGKSA-N 1 2 340.452 3.869 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1F ZINC001138030868 1136813879 /nfs/dbraw/zinc/81/38/79/1136813879.db2.gz VLERVHKRQWIQAS-QMTHXVAHSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1F ZINC001138030868 1136813882 /nfs/dbraw/zinc/81/38/82/1136813882.db2.gz VLERVHKRQWIQAS-QMTHXVAHSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1OC1CCOCC1 ZINC000818196755 1136865208 /nfs/dbraw/zinc/86/52/08/1136865208.db2.gz ZQFLAJSIJDBJFZ-UHFFFAOYSA-N 1 2 329.444 3.942 20 0 EHADLO CC(C)c1ncsc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000857526894 1136879845 /nfs/dbraw/zinc/87/98/45/1136879845.db2.gz NSUUTBNYHGVQFX-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)on1 ZINC000339007429 1136909965 /nfs/dbraw/zinc/90/99/65/1136909965.db2.gz PRKPXTCPIWFMFB-CZUORRHYSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)on1 ZINC000339007429 1136909967 /nfs/dbraw/zinc/90/99/67/1136909967.db2.gz PRKPXTCPIWFMFB-CZUORRHYSA-N 1 2 347.846 3.651 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)N1CCc2ccccc21 ZINC001136185508 1136911231 /nfs/dbraw/zinc/91/12/31/1136911231.db2.gz BOWFDZWUCFSSIQ-INIZCTEOSA-N 1 2 346.434 3.652 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987749 1136927293 /nfs/dbraw/zinc/92/72/93/1136927293.db2.gz ZKJBZIKILOYVCB-OAHLLOKOSA-N 1 2 327.453 3.816 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987297 1136927536 /nfs/dbraw/zinc/92/75/36/1136927536.db2.gz TWIAQIIAYVZEHF-BXUZGUMPSA-N 1 2 337.345 3.657 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990011 1136927924 /nfs/dbraw/zinc/92/79/24/1136927924.db2.gz LMFKYCFNACOUPF-CQSZACIVSA-N 1 2 335.860 3.670 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc2[nH+]ccn21 ZINC000819262017 1136929416 /nfs/dbraw/zinc/92/94/16/1136929416.db2.gz OJHPCPWKFKFONF-JOCQHMNTSA-N 1 2 325.799 3.664 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858017702 1136932357 /nfs/dbraw/zinc/93/23/57/1136932357.db2.gz TXXFRFYBJUJING-AWEZNQCLSA-N 1 2 346.377 3.596 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858017702 1136932359 /nfs/dbraw/zinc/93/23/59/1136932359.db2.gz TXXFRFYBJUJING-AWEZNQCLSA-N 1 2 346.377 3.596 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(F)=C2CCC2)c(C)c1 ZINC000819417326 1136942344 /nfs/dbraw/zinc/94/23/44/1136942344.db2.gz XRUPMMKHAKSPRZ-QGZVFWFLSA-N 1 2 327.403 3.765 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819429265 1136943841 /nfs/dbraw/zinc/94/38/41/1136943841.db2.gz MNIKBJIVIFMTPH-ZBFHGGJFSA-N 1 2 340.801 3.748 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819429265 1136943843 /nfs/dbraw/zinc/94/38/43/1136943843.db2.gz MNIKBJIVIFMTPH-ZBFHGGJFSA-N 1 2 340.801 3.748 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000819546842 1136949311 /nfs/dbraw/zinc/94/93/11/1136949311.db2.gz SSJAFVZZGZTCGK-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000819546842 1136949313 /nfs/dbraw/zinc/94/93/13/1136949313.db2.gz SSJAFVZZGZTCGK-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO O=C(/C=C\[C@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000819515205 1136949741 /nfs/dbraw/zinc/94/97/41/1136949741.db2.gz VYHCCHPYXIXBHZ-HJCTWCACSA-N 1 2 337.423 3.560 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170940998 1136967161 /nfs/dbraw/zinc/96/71/61/1136967161.db2.gz BZJFQRGVKHFCDP-ZDUSSCGKSA-N 1 2 345.826 3.983 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170940998 1136967164 /nfs/dbraw/zinc/96/71/64/1136967164.db2.gz BZJFQRGVKHFCDP-ZDUSSCGKSA-N 1 2 345.826 3.983 20 0 EHADLO CC(C)(C)OC(=O)NCC12CC(C1)CN2c1[nH+]ccc2ccccc21 ZINC000858628298 1136983372 /nfs/dbraw/zinc/98/33/72/1136983372.db2.gz SDETZBTVEHPZCR-UHFFFAOYSA-N 1 2 339.439 3.728 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(C2CCC2)C2CCC2)C1 ZINC000858672156 1136985885 /nfs/dbraw/zinc/98/58/85/1136985885.db2.gz ZYFBGHPAODBWQW-KRWDZBQOSA-N 1 2 344.503 3.526 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)c2)[nH+]c1C ZINC000858741152 1136989761 /nfs/dbraw/zinc/98/97/61/1136989761.db2.gz ZHCFPDPXFQMBQM-ADTUEAJISA-N 1 2 327.428 3.692 20 0 EHADLO O=C1C[C@@]2(CCC[N@@H+](Cc3cccc(Cl)n3)C2)Oc2ccccc21 ZINC000859580676 1137021075 /nfs/dbraw/zinc/02/10/75/1137021075.db2.gz WEWCAMICYXAFJK-LJQANCHMSA-N 1 2 342.826 3.735 20 0 EHADLO O=C1C[C@@]2(CCC[N@H+](Cc3cccc(Cl)n3)C2)Oc2ccccc21 ZINC000859580676 1137021077 /nfs/dbraw/zinc/02/10/77/1137021077.db2.gz WEWCAMICYXAFJK-LJQANCHMSA-N 1 2 342.826 3.735 20 0 EHADLO CC(C)c1cccnc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821246931 1137021218 /nfs/dbraw/zinc/02/12/18/1137021218.db2.gz LANGTAMJGMXVGQ-LBPRGKRZSA-N 1 2 326.322 3.534 20 0 EHADLO Cc1c2ccccc2c(=O)oc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136458409 1137030822 /nfs/dbraw/zinc/03/08/22/1137030822.db2.gz GNJUCKFMGJFHOL-UHFFFAOYSA-N 1 2 345.358 3.744 20 0 EHADLO CN(C)c1cc(COC(=O)c2csc(C(F)(F)F)c2)cc[nH+]1 ZINC000859881411 1137035794 /nfs/dbraw/zinc/03/57/94/1137035794.db2.gz OFYMNEIGSKHJGU-UHFFFAOYSA-N 1 2 330.331 3.585 20 0 EHADLO FCC[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000859904162 1137036369 /nfs/dbraw/zinc/03/63/69/1137036369.db2.gz WGHAULROGULIFT-HNNXBMFYSA-N 1 2 345.443 3.623 20 0 EHADLO FCC[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000859904162 1137036371 /nfs/dbraw/zinc/03/63/71/1137036371.db2.gz WGHAULROGULIFT-HNNXBMFYSA-N 1 2 345.443 3.623 20 0 EHADLO FCC[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000859904164 1137036507 /nfs/dbraw/zinc/03/65/07/1137036507.db2.gz WGHAULROGULIFT-OAHLLOKOSA-N 1 2 345.443 3.623 20 0 EHADLO FCC[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000859904164 1137036509 /nfs/dbraw/zinc/03/65/09/1137036509.db2.gz WGHAULROGULIFT-OAHLLOKOSA-N 1 2 345.443 3.623 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(Cl)c(Cl)c3N)ccc2[nH+]1 ZINC001136497912 1137037908 /nfs/dbraw/zinc/03/79/08/1137037908.db2.gz AHPLMFWCOSNOCW-UHFFFAOYSA-N 1 2 335.194 3.784 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Cl)cc(Cl)c3N)ccc2[nH+]1 ZINC001136497938 1137037952 /nfs/dbraw/zinc/03/79/52/1137037952.db2.gz BCXLASWEUQXHGA-UHFFFAOYSA-N 1 2 335.194 3.784 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccns1 ZINC000860055028 1137042265 /nfs/dbraw/zinc/04/22/65/1137042265.db2.gz QPIXJSLGCKGNER-LLVKDONJSA-N 1 2 330.409 3.917 20 0 EHADLO C[C@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)OC(C)(C)C ZINC000860099416 1137044496 /nfs/dbraw/zinc/04/44/96/1137044496.db2.gz CTNNXXYPFRDOLA-GFCCVEGCSA-N 1 2 335.473 3.641 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)OC(C)(C)C ZINC000860099416 1137044498 /nfs/dbraw/zinc/04/44/98/1137044498.db2.gz CTNNXXYPFRDOLA-GFCCVEGCSA-N 1 2 335.473 3.641 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000860116963 1137045134 /nfs/dbraw/zinc/04/51/34/1137045134.db2.gz RUXXCHDQWVWZNZ-RHSMWYFYSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000860116963 1137045135 /nfs/dbraw/zinc/04/51/35/1137045135.db2.gz RUXXCHDQWVWZNZ-RHSMWYFYSA-N 1 2 343.471 3.892 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC001138053264 1137055835 /nfs/dbraw/zinc/05/58/35/1137055835.db2.gz KRPLUFIAYJFZMJ-YABSGUDNSA-N 1 2 347.764 3.600 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC001138053264 1137055836 /nfs/dbraw/zinc/05/58/36/1137055836.db2.gz KRPLUFIAYJFZMJ-YABSGUDNSA-N 1 2 347.764 3.600 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000822479887 1137061674 /nfs/dbraw/zinc/06/16/74/1137061674.db2.gz UHJXBDJVPQTCJZ-OALUTQOASA-N 1 2 339.483 3.703 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001136596675 1137064764 /nfs/dbraw/zinc/06/47/64/1137064764.db2.gz PVWKMWXTFLNZRY-KRWDZBQOSA-N 1 2 346.515 3.802 20 0 EHADLO CCc1cccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001136624050 1137072539 /nfs/dbraw/zinc/07/25/39/1137072539.db2.gz GRKTXSDHIKABMA-UHFFFAOYSA-N 1 2 335.407 3.761 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000822757607 1137073389 /nfs/dbraw/zinc/07/33/89/1137073389.db2.gz HPVVVFRFESQWBA-LEWJYISDSA-N 1 2 334.463 3.702 20 0 EHADLO O=C(c1ccsc1C(F)F)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000822892023 1137077503 /nfs/dbraw/zinc/07/75/03/1137077503.db2.gz CQGBBUCIECVUCU-UHFFFAOYSA-N 1 2 348.418 3.786 20 0 EHADLO O=C(c1ccsc1C(F)F)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000822892023 1137077504 /nfs/dbraw/zinc/07/75/04/1137077504.db2.gz CQGBBUCIECVUCU-UHFFFAOYSA-N 1 2 348.418 3.786 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000823128260 1137088200 /nfs/dbraw/zinc/08/82/00/1137088200.db2.gz GECKCBYAHJRMJT-AAEUAGOBSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000823128260 1137088202 /nfs/dbraw/zinc/08/82/02/1137088202.db2.gz GECKCBYAHJRMJT-AAEUAGOBSA-N 1 2 343.302 3.896 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3cc(C4CC4)no3)c2)[nH+]c1C ZINC000823353573 1137096049 /nfs/dbraw/zinc/09/60/49/1137096049.db2.gz RQZSFOXUWPACGQ-UHFFFAOYSA-N 1 2 336.395 3.740 20 0 EHADLO CS(=O)(=O)c1cccc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000823447827 1137100088 /nfs/dbraw/zinc/10/00/88/1137100088.db2.gz NOUXZYZKJJVXDV-UHFFFAOYSA-N 1 2 347.455 3.609 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000805828000 1137103164 /nfs/dbraw/zinc/10/31/64/1137103164.db2.gz AAUOEIXJDKKXMU-OAHLLOKOSA-N 1 2 345.468 3.521 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000805828000 1137103166 /nfs/dbraw/zinc/10/31/66/1137103166.db2.gz AAUOEIXJDKKXMU-OAHLLOKOSA-N 1 2 345.468 3.521 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC000823708092 1137110343 /nfs/dbraw/zinc/11/03/43/1137110343.db2.gz IUUFKLVJGKWVDF-ADKAHSJRSA-N 1 2 344.503 3.668 20 0 EHADLO O=C(C[C@@H]1CCCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770369 1137113367 /nfs/dbraw/zinc/11/33/67/1137113367.db2.gz QSLNSOTVGGRNAT-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)nc1 ZINC000823769922 1137113448 /nfs/dbraw/zinc/11/34/48/1137113448.db2.gz JJCLNTCAMROWSO-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CCS(=O)(=O)CC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000118400255 1137113770 /nfs/dbraw/zinc/11/37/70/1137113770.db2.gz WHOQUQPSVORFMW-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO CCS(=O)(=O)CC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000118400255 1137113772 /nfs/dbraw/zinc/11/37/72/1137113772.db2.gz WHOQUQPSVORFMW-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO Cc1cc([NH2+][C@H]2CCc3ccc(O)cc3C2)ccc1N1CCOCC1 ZINC001171034147 1137115632 /nfs/dbraw/zinc/11/56/32/1137115632.db2.gz YGJDVYPRJAFWET-IBGZPJMESA-N 1 2 338.451 3.507 20 0 EHADLO COc1ccc(C[C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC000823982133 1137121353 /nfs/dbraw/zinc/12/13/53/1137121353.db2.gz SBNGPOKFZMEINK-QGZVFWFLSA-N 1 2 349.434 3.809 20 0 EHADLO COCCOc1cc(NCCc2ccccc2C(F)(F)F)cc[nH+]1 ZINC001171040958 1137121562 /nfs/dbraw/zinc/12/15/62/1137121562.db2.gz KMYJLNCPGIXRJW-UHFFFAOYSA-N 1 2 340.345 3.780 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Br ZINC001136849666 1137131095 /nfs/dbraw/zinc/13/10/95/1137131095.db2.gz UALNWFGDIAGVKI-ZUZCIYMTSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Br ZINC001136849666 1137131096 /nfs/dbraw/zinc/13/10/96/1137131096.db2.gz UALNWFGDIAGVKI-ZUZCIYMTSA-N 1 2 346.215 3.728 20 0 EHADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000862241180 1137134331 /nfs/dbraw/zinc/13/43/31/1137134331.db2.gz SNDXAEAZVPIANP-HNNXBMFYSA-N 1 2 338.398 3.647 20 0 EHADLO CC(C)C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@@H](O)c1ccc(F)cc1 ZINC000118855200 1137137703 /nfs/dbraw/zinc/13/77/03/1137137703.db2.gz WEUKYJMSRMNYAT-MRXNPFEDSA-N 1 2 349.450 3.698 20 0 EHADLO CC(C)C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@@H](O)c1ccc(F)cc1 ZINC000118855200 1137137705 /nfs/dbraw/zinc/13/77/05/1137137705.db2.gz WEUKYJMSRMNYAT-MRXNPFEDSA-N 1 2 349.450 3.698 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cnc(C2CC2)o1 ZINC000862387495 1137141930 /nfs/dbraw/zinc/14/19/30/1137141930.db2.gz NUQHNBVLKUHXTI-UHFFFAOYSA-N 1 2 344.415 3.584 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136932951 1137149267 /nfs/dbraw/zinc/14/92/67/1137149267.db2.gz YYQRTLVXXPPMHL-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136932951 1137149269 /nfs/dbraw/zinc/14/92/69/1137149269.db2.gz YYQRTLVXXPPMHL-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136925868 1137149618 /nfs/dbraw/zinc/14/96/18/1137149618.db2.gz VOZJTQQWPYQEPL-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136925868 1137149620 /nfs/dbraw/zinc/14/96/20/1137149620.db2.gz VOZJTQQWPYQEPL-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO COC(=O)/C=C/c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)o1 ZINC000862551958 1137149751 /nfs/dbraw/zinc/14/97/51/1137149751.db2.gz VHZPYCYZGMCYEX-CMDGGOBGSA-N 1 2 347.361 3.913 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000824854646 1137154800 /nfs/dbraw/zinc/15/48/00/1137154800.db2.gz BLOBZYKHJMJYTJ-UHFFFAOYSA-N 1 2 346.843 3.624 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000014307549 1137160427 /nfs/dbraw/zinc/16/04/27/1137160427.db2.gz UKURMZJNZPMKJV-KRWDZBQOSA-N 1 2 337.452 3.593 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000014307549 1137160428 /nfs/dbraw/zinc/16/04/28/1137160428.db2.gz UKURMZJNZPMKJV-KRWDZBQOSA-N 1 2 337.452 3.593 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(SC(F)F)cc2)CC[S@]1=O ZINC000825024750 1137162145 /nfs/dbraw/zinc/16/21/45/1137162145.db2.gz UCYFVQRKXKUFLU-OAQYLSRUSA-N 1 2 333.469 3.734 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(SC(F)F)cc2)CC[S@]1=O ZINC000825024750 1137162146 /nfs/dbraw/zinc/16/21/46/1137162146.db2.gz UCYFVQRKXKUFLU-OAQYLSRUSA-N 1 2 333.469 3.734 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045654 1137163146 /nfs/dbraw/zinc/16/31/46/1137163146.db2.gz IPADELDDAUOWDO-LBPRGKRZSA-N 1 2 343.780 3.830 20 0 EHADLO CCOc1cc(C[NH2+]Cc2coc(CC)n2)ccc1OCC(C)C ZINC000825049707 1137163413 /nfs/dbraw/zinc/16/34/13/1137163413.db2.gz ANARCYGGVFRPGI-UHFFFAOYSA-N 1 2 332.444 3.960 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136989249 1137164239 /nfs/dbraw/zinc/16/42/39/1137164239.db2.gz CDYKEVJVEJSXTE-HNNXBMFYSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136989249 1137164241 /nfs/dbraw/zinc/16/42/41/1137164241.db2.gz CDYKEVJVEJSXTE-HNNXBMFYSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cccc(Br)n3)CCC2)n1 ZINC000794489348 1137170246 /nfs/dbraw/zinc/17/02/46/1137170246.db2.gz SQQXPBBSGTYBOX-UHFFFAOYSA-N 1 2 338.274 3.778 20 0 EHADLO C/C(=C\C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1C ZINC001137019700 1137172885 /nfs/dbraw/zinc/17/28/85/1137172885.db2.gz NNJAVTXOQWDKQP-NTCAYCPXSA-N 1 2 336.426 3.586 20 0 EHADLO C/C(=C\C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1C ZINC001137019700 1137172886 /nfs/dbraw/zinc/17/28/86/1137172886.db2.gz NNJAVTXOQWDKQP-NTCAYCPXSA-N 1 2 336.426 3.586 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000863268772 1137178808 /nfs/dbraw/zinc/17/88/08/1137178808.db2.gz JDWNCYASVVPSDT-ZFWWWQNUSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000863268772 1137178810 /nfs/dbraw/zinc/17/88/10/1137178810.db2.gz JDWNCYASVVPSDT-ZFWWWQNUSA-N 1 2 342.361 3.802 20 0 EHADLO Cn1ccc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)n1 ZINC001143627466 1137183899 /nfs/dbraw/zinc/18/38/99/1137183899.db2.gz OHHFJXMUBJYZQQ-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1F ZINC001143698687 1137190693 /nfs/dbraw/zinc/19/06/93/1137190693.db2.gz KHMIQPQECDVXPK-NWDGAFQWSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1F ZINC001143698687 1137190694 /nfs/dbraw/zinc/19/06/94/1137190694.db2.gz KHMIQPQECDVXPK-NWDGAFQWSA-N 1 2 341.732 3.533 20 0 EHADLO Cn1cnc2c1CC[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C2 ZINC001143704518 1137192220 /nfs/dbraw/zinc/19/22/20/1137192220.db2.gz ITMRNWOYIOWSND-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1cnc2c1CC[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C2 ZINC001143704518 1137192222 /nfs/dbraw/zinc/19/22/22/1137192222.db2.gz ITMRNWOYIOWSND-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1cc(Cl)ccc1OC(F)(F)F)C2 ZINC001143704518 1137192224 /nfs/dbraw/zinc/19/22/24/1137192224.db2.gz ITMRNWOYIOWSND-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO CN(C)C(=O)Sc1cc(Br)ccc1C[NH+]1CCCC1 ZINC001143776107 1137198945 /nfs/dbraw/zinc/19/89/45/1137198945.db2.gz SIGUOMZYPNTYKO-UHFFFAOYSA-N 1 2 343.290 3.819 20 0 EHADLO O[C@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@@H]1F ZINC001143797147 1137200563 /nfs/dbraw/zinc/20/05/63/1137200563.db2.gz GBXOGSMNXMYVJK-STQMWFEESA-N 1 2 326.626 3.942 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@@H]1F ZINC001143797147 1137200564 /nfs/dbraw/zinc/20/05/64/1137200564.db2.gz GBXOGSMNXMYVJK-STQMWFEESA-N 1 2 326.626 3.942 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143868011 1137206724 /nfs/dbraw/zinc/20/67/24/1137206724.db2.gz NBBPTRCPBAHFEH-SNVBAGLBSA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143868011 1137206723 /nfs/dbraw/zinc/20/67/23/1137206723.db2.gz NBBPTRCPBAHFEH-SNVBAGLBSA-N 1 2 334.218 3.908 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C[C@@H]1O ZINC001143880402 1137209036 /nfs/dbraw/zinc/20/90/36/1137209036.db2.gz SAYGDGSPVDBXHC-CPCISQLKSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C[C@@H]1O ZINC001143880402 1137209038 /nfs/dbraw/zinc/20/90/38/1137209038.db2.gz SAYGDGSPVDBXHC-CPCISQLKSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(C2SCCS2)c1)n1cc[nH+]c1 ZINC000844307727 1137210909 /nfs/dbraw/zinc/21/09/09/1137210909.db2.gz SSVUTHXOWBEASL-LBPRGKRZSA-N 1 2 333.482 3.952 20 0 EHADLO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844321730 1137212258 /nfs/dbraw/zinc/21/22/58/1137212258.db2.gz YTAXTMVQGFJFRB-ZDUSSCGKSA-N 1 2 339.361 3.902 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cc1cccs1 ZINC000266064447 1137213589 /nfs/dbraw/zinc/21/35/89/1137213589.db2.gz JIONTTMKPSHCPC-OAHLLOKOSA-N 1 2 339.464 3.602 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)n1cc[nH+]c1 ZINC000844359759 1137215288 /nfs/dbraw/zinc/21/52/88/1137215288.db2.gz LGCPTPKGCIQFLT-OAHLLOKOSA-N 1 2 336.439 3.722 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)n1cc[nH+]c1 ZINC000844359757 1137215404 /nfs/dbraw/zinc/21/54/04/1137215404.db2.gz LGCPTPKGCIQFLT-HNNXBMFYSA-N 1 2 336.439 3.722 20 0 EHADLO O[C@@]1(c2ccc(Cl)cc2)CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000844379442 1137218270 /nfs/dbraw/zinc/21/82/70/1137218270.db2.gz DHKZPZZHDJADQW-KRWDZBQOSA-N 1 2 349.887 3.553 20 0 EHADLO O[C@@]1(c2ccc(Cl)cc2)CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000844379442 1137218272 /nfs/dbraw/zinc/21/82/72/1137218272.db2.gz DHKZPZZHDJADQW-KRWDZBQOSA-N 1 2 349.887 3.553 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958545 1137218806 /nfs/dbraw/zinc/21/88/06/1137218806.db2.gz HPNRFWDSIHCEID-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958545 1137218807 /nfs/dbraw/zinc/21/88/07/1137218807.db2.gz HPNRFWDSIHCEID-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)c2=S)cc1 ZINC000794639220 1137220781 /nfs/dbraw/zinc/22/07/81/1137220781.db2.gz IYAMOCUCBMUTPF-KBPBESRZSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@H](C)[C@@H](C)C3)c2=S)cc1 ZINC000794639220 1137220783 /nfs/dbraw/zinc/22/07/83/1137220783.db2.gz IYAMOCUCBMUTPF-KBPBESRZSA-N 1 2 346.500 3.656 20 0 EHADLO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C/C(Cl)=C\Cl)CC2)n1 ZINC000844410886 1137220784 /nfs/dbraw/zinc/22/07/84/1137220784.db2.gz OYECQVWFIJTUDE-HMAPOPOTSA-N 1 2 330.259 3.767 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1F ZINC001143984261 1137220943 /nfs/dbraw/zinc/22/09/43/1137220943.db2.gz QXJBHHRSMNTZEL-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1F ZINC001143984261 1137220944 /nfs/dbraw/zinc/22/09/44/1137220944.db2.gz QXJBHHRSMNTZEL-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cs2)cc1 ZINC000844452775 1137221204 /nfs/dbraw/zinc/22/12/04/1137221204.db2.gz NOMTZPUUUFMSHI-GASCZTMLSA-N 1 2 336.407 3.906 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)cs2)cc1 ZINC000844452775 1137221205 /nfs/dbraw/zinc/22/12/05/1137221205.db2.gz NOMTZPUUUFMSHI-GASCZTMLSA-N 1 2 336.407 3.906 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC001144004551 1137224873 /nfs/dbraw/zinc/22/48/73/1137224873.db2.gz DQKJIUVPYFYEDK-LBPRGKRZSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC001144004551 1137224874 /nfs/dbraw/zinc/22/48/74/1137224874.db2.gz DQKJIUVPYFYEDK-LBPRGKRZSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844482611 1137225564 /nfs/dbraw/zinc/22/55/64/1137225564.db2.gz ZUWXEOUVKOYLNU-VDZJLULYSA-N 1 2 342.439 3.797 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001144078645 1137237028 /nfs/dbraw/zinc/23/70/28/1137237028.db2.gz VWABYOSCMOCAQQ-CYBMUJFWSA-N 1 2 327.409 3.682 20 0 EHADLO COc1c[nH+]c(N[C@H](CC(C)C)c2ccccn2)nc1NC(C)C ZINC001160481867 1137238723 /nfs/dbraw/zinc/23/87/23/1137238723.db2.gz ZHWYWIWDKFADMZ-OAHLLOKOSA-N 1 2 329.448 3.900 20 0 EHADLO Cn1cnn(C[NH+]2CCC(C)(c3cccc(Cl)c3)CC2)c1=S ZINC000794703696 1137240258 /nfs/dbraw/zinc/24/02/58/1137240258.db2.gz IGCWIZVWQXPAOU-UHFFFAOYSA-N 1 2 336.892 3.616 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000120178808 1137240376 /nfs/dbraw/zinc/24/03/76/1137240376.db2.gz OUPGNOUVRAJCFN-CYBMUJFWSA-N 1 2 349.402 3.676 20 0 EHADLO CCOC(=O)C1([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171147138 1137245688 /nfs/dbraw/zinc/24/56/88/1137245688.db2.gz CJNHFZNHSXDFGF-ZDUSSCGKSA-N 1 2 342.266 3.926 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@H+](C1CC1)C1CCCC1 ZINC000844687345 1137247178 /nfs/dbraw/zinc/24/71/78/1137247178.db2.gz YMASVZCFZBCKFB-UHFFFAOYSA-N 1 2 349.887 3.990 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@@H+](C1CC1)C1CCCC1 ZINC000844687345 1137247180 /nfs/dbraw/zinc/24/71/80/1137247180.db2.gz YMASVZCFZBCKFB-UHFFFAOYSA-N 1 2 349.887 3.990 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)c1 ZINC001144191448 1137249324 /nfs/dbraw/zinc/24/93/24/1137249324.db2.gz NGHWCZPZANLPQR-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196361 1137249974 /nfs/dbraw/zinc/24/99/74/1137249974.db2.gz DDAYHAPVHGIQGM-OAHLLOKOSA-N 1 2 325.387 3.664 20 0 EHADLO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196361 1137249976 /nfs/dbraw/zinc/24/99/76/1137249976.db2.gz DDAYHAPVHGIQGM-OAHLLOKOSA-N 1 2 325.387 3.664 20 0 EHADLO CC(C)(C)OC(=O)CC1CC[NH+](Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144202482 1137253596 /nfs/dbraw/zinc/25/35/96/1137253596.db2.gz RJBHLVIIWBWOMJ-UHFFFAOYSA-N 1 2 347.434 3.646 20 0 EHADLO Fc1cccc(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1Cl ZINC000844855756 1137257883 /nfs/dbraw/zinc/25/78/83/1137257883.db2.gz NQKCAPROVKDRGB-UHFFFAOYSA-N 1 2 346.793 3.577 20 0 EHADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344978 1137276307 /nfs/dbraw/zinc/27/63/07/1137276307.db2.gz OAYZXVGNTRHXRH-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344978 1137276308 /nfs/dbraw/zinc/27/63/08/1137276308.db2.gz OAYZXVGNTRHXRH-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO Cn1c2cc(Br)ccc2nc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376348 1137278484 /nfs/dbraw/zinc/27/84/84/1137278484.db2.gz KDGZALKUMYQOSB-UHFFFAOYSA-N 1 2 347.260 3.878 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)n1 ZINC000865413270 1137281102 /nfs/dbraw/zinc/28/11/02/1137281102.db2.gz BKQVRCPGFGXWBH-UHFFFAOYSA-N 1 2 343.496 3.857 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccnc1Br ZINC000865417469 1137281637 /nfs/dbraw/zinc/28/16/37/1137281637.db2.gz LUMCZBFLZFCYKF-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000845276921 1137283149 /nfs/dbraw/zinc/28/31/49/1137283149.db2.gz DXOONKKEXXAEQH-LSDHHAIUSA-N 1 2 342.439 3.946 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000845277755 1137283189 /nfs/dbraw/zinc/28/31/89/1137283189.db2.gz BLDVZEDDMVAZRA-AWEZNQCLSA-N 1 2 328.412 3.705 20 0 EHADLO Cc1cc(COC(=O)C[C@H](C)n2cc[nH+]c2)ccc1Br ZINC000845283790 1137283612 /nfs/dbraw/zinc/28/36/12/1137283612.db2.gz GUZKDPXMQYRFEI-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cccnc1Br ZINC000865452863 1137285274 /nfs/dbraw/zinc/28/52/74/1137285274.db2.gz QISXDTVNGNSOIX-AWEZNQCLSA-N 1 2 333.229 3.684 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000845460468 1137293326 /nfs/dbraw/zinc/29/33/26/1137293326.db2.gz WUZUJHSEZDGQEX-MRXNPFEDSA-N 1 2 330.815 3.646 20 0 EHADLO Fc1ccccc1Oc1cc(C[NH2+]Cc2cn(C3CC3)cn2)ccn1 ZINC000865546554 1137293817 /nfs/dbraw/zinc/29/38/17/1137293817.db2.gz YVIBPBDPVJMHRC-UHFFFAOYSA-N 1 2 338.386 3.834 20 0 EHADLO CCCn1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1 ZINC000865544997 1137293897 /nfs/dbraw/zinc/29/38/97/1137293897.db2.gz OPGXSUDBUNCWSX-UHFFFAOYSA-N 1 2 336.443 3.500 20 0 EHADLO CC(C)COc1cccc(CCOC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845565868 1137297977 /nfs/dbraw/zinc/29/79/77/1137297977.db2.gz WPFVUBUOBOCDIU-INIZCTEOSA-N 1 2 330.428 3.655 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)nn1 ZINC000865665341 1137302950 /nfs/dbraw/zinc/30/29/50/1137302950.db2.gz VOQWJLOTZGMAKY-FQEVSTJZSA-N 1 2 335.455 3.547 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2[nH]cc([S@@](C)=O)c21)c1ccccc1C ZINC001171197915 1137310259 /nfs/dbraw/zinc/31/02/59/1137310259.db2.gz LGRYQBPYZSVAMV-JCQPUDPBSA-N 1 2 328.441 3.567 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cs1 ZINC000845775940 1137310382 /nfs/dbraw/zinc/31/03/82/1137310382.db2.gz NIKCCVONPZWMIY-OIISXLGYSA-N 1 2 348.512 3.643 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(F)cc1Br ZINC001144583643 1137312803 /nfs/dbraw/zinc/31/28/03/1137312803.db2.gz JFKSTMPDGFEHAI-LRDDRELGSA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(F)cc1Br ZINC001144583643 1137312804 /nfs/dbraw/zinc/31/28/04/1137312804.db2.gz JFKSTMPDGFEHAI-LRDDRELGSA-N 1 2 342.252 3.898 20 0 EHADLO CCn1nc(C[NH2+]Cc2ccc(Br)cn2)c2ccccc21 ZINC000865810322 1137313602 /nfs/dbraw/zinc/31/36/02/1137313602.db2.gz DOTSOWSHCCWBTH-UHFFFAOYSA-N 1 2 345.244 3.504 20 0 EHADLO c1ccc(CNc2cc(NCc3noc4c3CCCC4)nc[nH+]2)cc1 ZINC000865811231 1137313632 /nfs/dbraw/zinc/31/36/32/1137313632.db2.gz NZKLXNBQKHXNCM-UHFFFAOYSA-N 1 2 335.411 3.568 20 0 EHADLO c1ccc(CNc2cc(NCc3noc4c3CCCC4)[nH+]cn2)cc1 ZINC000865811231 1137313634 /nfs/dbraw/zinc/31/36/34/1137313634.db2.gz NZKLXNBQKHXNCM-UHFFFAOYSA-N 1 2 335.411 3.568 20 0 EHADLO COc1ccc(C2=CC[N@H+](Cc3cc(F)c(O)cc3F)CC2)cc1 ZINC001144664069 1137324973 /nfs/dbraw/zinc/32/49/73/1137324973.db2.gz TYDHTTKZXTZPAY-UHFFFAOYSA-N 1 2 331.362 3.968 20 0 EHADLO COc1ccc(C2=CC[N@@H+](Cc3cc(F)c(O)cc3F)CC2)cc1 ZINC001144664069 1137324975 /nfs/dbraw/zinc/32/49/75/1137324975.db2.gz TYDHTTKZXTZPAY-UHFFFAOYSA-N 1 2 331.362 3.968 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794892058 1137325500 /nfs/dbraw/zinc/32/55/00/1137325500.db2.gz JQWSFHLLASNYPD-QGZVFWFLSA-N 1 2 334.464 3.503 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794892058 1137325502 /nfs/dbraw/zinc/32/55/02/1137325502.db2.gz JQWSFHLLASNYPD-QGZVFWFLSA-N 1 2 334.464 3.503 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000794892918 1137325836 /nfs/dbraw/zinc/32/58/36/1137325836.db2.gz SQOSEJUXSSVQON-OAHLLOKOSA-N 1 2 327.325 3.662 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000794892918 1137325837 /nfs/dbraw/zinc/32/58/37/1137325837.db2.gz SQOSEJUXSSVQON-OAHLLOKOSA-N 1 2 327.325 3.662 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1([C@@H]2CCCCO2)CCC1 ZINC000866093067 1137329005 /nfs/dbraw/zinc/32/90/05/1137329005.db2.gz BYEVKQUIJPQYPT-HNNXBMFYSA-N 1 2 343.475 3.733 20 0 EHADLO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3coc(C4CC4)n3)CC2)n1 ZINC000846055010 1137331094 /nfs/dbraw/zinc/33/10/94/1137331094.db2.gz RMBFSFYXNYAMOL-MLGOLLRUSA-N 1 2 342.443 3.513 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000846117937 1137333785 /nfs/dbraw/zinc/33/37/85/1137333785.db2.gz ROSQYZFEJMQYLA-AWEZNQCLSA-N 1 2 325.412 3.528 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1cccc(F)c1)c1ccccc1F ZINC000866234346 1137337331 /nfs/dbraw/zinc/33/73/31/1137337331.db2.gz MZWOCETUPVGSDL-SFHVURJKSA-N 1 2 342.393 3.650 20 0 EHADLO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1n[nH]cc1Br ZINC000866270327 1137341394 /nfs/dbraw/zinc/34/13/94/1137341394.db2.gz VBSLCHPKUYODGS-PSLIRLAXSA-N 1 2 338.224 3.725 20 0 EHADLO CC(C)[C@H](O)[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866394898 1137351714 /nfs/dbraw/zinc/35/17/14/1137351714.db2.gz XEHXJMFTCVCIFF-RNQOJCNYSA-N 1 2 329.415 3.806 20 0 EHADLO CCc1noc(C)c1[C@H](C)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000866497823 1137358958 /nfs/dbraw/zinc/35/89/58/1137358958.db2.gz LZTMCVDYFDEEAI-MAUKXSAKSA-N 1 2 327.472 3.779 20 0 EHADLO CCc1noc(C)c1[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000866497823 1137358960 /nfs/dbraw/zinc/35/89/60/1137358960.db2.gz LZTMCVDYFDEEAI-MAUKXSAKSA-N 1 2 327.472 3.779 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H](F)Cc1ccccc1 ZINC000846656796 1137360809 /nfs/dbraw/zinc/36/08/09/1137360809.db2.gz YBWRWQCNVZRWCJ-KZNAEPCWSA-N 1 2 341.430 3.502 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)n1 ZINC000866563880 1137364778 /nfs/dbraw/zinc/36/47/78/1137364778.db2.gz SGZJPZQMMXRVJP-GFCCVEGCSA-N 1 2 327.375 3.824 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866568647 1137365476 /nfs/dbraw/zinc/36/54/76/1137365476.db2.gz ZXMJSLPJMAAPCR-VIFPVBQESA-N 1 2 329.778 3.871 20 0 EHADLO CCN1C[C@H](C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)OC1=O ZINC000846805760 1137368451 /nfs/dbraw/zinc/36/84/51/1137368451.db2.gz IEWWGVCIJKPRPS-WOJBJXKFSA-N 1 2 336.435 3.627 20 0 EHADLO CCN1C[C@H](C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)OC1=O ZINC000846805760 1137368453 /nfs/dbraw/zinc/36/84/53/1137368453.db2.gz IEWWGVCIJKPRPS-WOJBJXKFSA-N 1 2 336.435 3.627 20 0 EHADLO C/C(=C/c1ccco1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000846860940 1137369921 /nfs/dbraw/zinc/36/99/21/1137369921.db2.gz ISYFCFIQLNMZMA-UGEDRFTOSA-N 1 2 340.423 3.715 20 0 EHADLO Fc1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)cnc1Cl ZINC000846891344 1137374220 /nfs/dbraw/zinc/37/42/20/1137374220.db2.gz XRAPYEVWUPTHGN-UHFFFAOYSA-N 1 2 345.849 3.901 20 0 EHADLO CC(=O)C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000846947673 1137378264 /nfs/dbraw/zinc/37/82/64/1137378264.db2.gz HEPJIMKMXURKKT-UHFFFAOYSA-N 1 2 326.318 3.648 20 0 EHADLO CN(c1ccc(Nc2c(F)cccc2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212615265 1137386478 /nfs/dbraw/zinc/38/64/78/1137386478.db2.gz QIKGVVXDKOZUMQ-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\CCc1ccccc1 ZINC000867802169 1137386624 /nfs/dbraw/zinc/38/66/24/1137386624.db2.gz LGTYMCVBILIKOT-ZSOIEALJSA-N 1 2 339.483 3.873 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000867844251 1137387768 /nfs/dbraw/zinc/38/77/68/1137387768.db2.gz WIDLSCBYNKHPBH-KURKYZTESA-N 1 2 337.467 3.566 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)c1ccco1)c1ccc(Cl)cc1Cl ZINC001147104577 1137400370 /nfs/dbraw/zinc/40/03/70/1137400370.db2.gz JDCCLZXGMMKDSC-CYBMUJFWSA-N 1 2 327.211 3.619 20 0 EHADLO CC[C@@H](C(=O)N1c2ccccc2C(C)(C)[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001147349126 1137404966 /nfs/dbraw/zinc/40/49/66/1137404966.db2.gz MLIAYSYXCXOPKV-NUJGCVRESA-N 1 2 344.499 3.589 20 0 EHADLO CC[C@@H](C(=O)N1c2ccccc2C(C)(C)[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001147349126 1137404968 /nfs/dbraw/zinc/40/49/68/1137404968.db2.gz MLIAYSYXCXOPKV-NUJGCVRESA-N 1 2 344.499 3.589 20 0 EHADLO CCCn1c(C(=O)NCCCNc2cccc[nH+]2)cc2ccccc21 ZINC001147837616 1137413335 /nfs/dbraw/zinc/41/33/35/1137413335.db2.gz IULSAGIJCXLIOE-UHFFFAOYSA-N 1 2 336.439 3.678 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001171319054 1137416919 /nfs/dbraw/zinc/41/69/19/1137416919.db2.gz FZCKKTTXOLXFRB-ZENOOKHLSA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001171319054 1137416921 /nfs/dbraw/zinc/41/69/21/1137416921.db2.gz FZCKKTTXOLXFRB-ZENOOKHLSA-N 1 2 332.271 3.916 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001148631213 1137430330 /nfs/dbraw/zinc/43/03/30/1137430330.db2.gz DTDVCTWUHLNBRU-LBPRGKRZSA-N 1 2 326.425 3.659 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001148631213 1137430331 /nfs/dbraw/zinc/43/03/31/1137430331.db2.gz DTDVCTWUHLNBRU-LBPRGKRZSA-N 1 2 326.425 3.659 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000348117191 1137442498 /nfs/dbraw/zinc/44/24/98/1137442498.db2.gz CDKVPXOVQGTMGH-INIZCTEOSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000348117191 1137442499 /nfs/dbraw/zinc/44/24/99/1137442499.db2.gz CDKVPXOVQGTMGH-INIZCTEOSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cc(F)cc(F)c1F ZINC000348136750 1137445237 /nfs/dbraw/zinc/44/52/37/1137445237.db2.gz BKXBFUAUJIBTSF-UHFFFAOYSA-N 1 2 345.324 3.530 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000348175411 1137450443 /nfs/dbraw/zinc/45/04/43/1137450443.db2.gz SVFNTGGFUCUKGY-QWRGUYRKSA-N 1 2 335.398 3.564 20 0 EHADLO Cc1[nH+]cccc1NCCc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC001171345347 1137455569 /nfs/dbraw/zinc/45/55/69/1137455569.db2.gz ZUEIWLAFEQBLPZ-UHFFFAOYSA-N 1 2 326.440 3.929 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC ZINC001171360930 1137457216 /nfs/dbraw/zinc/45/72/16/1137457216.db2.gz PNMMXBBPCSTSMV-YOEHRIQHSA-N 1 2 325.399 3.534 20 0 EHADLO O=C(NCc1ccccc1F)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000203303073 1137457490 /nfs/dbraw/zinc/45/74/90/1137457490.db2.gz YZKPWLYJNGATMU-GOSISDBHSA-N 1 2 346.833 3.760 20 0 EHADLO O=C(NCc1ccccc1F)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000203303073 1137457491 /nfs/dbraw/zinc/45/74/91/1137457491.db2.gz YZKPWLYJNGATMU-GOSISDBHSA-N 1 2 346.833 3.760 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3sccc3F)n2)CC1 ZINC000339094863 1137467700 /nfs/dbraw/zinc/46/77/00/1137467700.db2.gz LESVDIBYCSYECB-UHFFFAOYSA-N 1 2 339.461 3.828 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cnn1-c1ccccc1 ZINC000773137567 1137468102 /nfs/dbraw/zinc/46/81/02/1137468102.db2.gz JMKMDSSQCIACBF-UONOGXRCSA-N 1 2 338.459 3.834 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)[C@H](CC)CSC)C1 ZINC000773255762 1137481696 /nfs/dbraw/zinc/48/16/96/1137481696.db2.gz OXYZDRHLVROSPN-ZIAGYGMSSA-N 1 2 342.574 3.846 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)[C@H](CC)CSC)C1 ZINC000773255762 1137481697 /nfs/dbraw/zinc/48/16/97/1137481697.db2.gz OXYZDRHLVROSPN-ZIAGYGMSSA-N 1 2 342.574 3.846 20 0 EHADLO CCOC(=O)[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)[C@@H](C)CC ZINC001171515478 1137495714 /nfs/dbraw/zinc/49/57/14/1137495714.db2.gz JABUCYQOLIYQMH-QAGHZCBJSA-N 1 2 343.389 3.529 20 0 EHADLO Cc1cccc2c1CC[C@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001171580458 1137499408 /nfs/dbraw/zinc/49/94/08/1137499408.db2.gz UMHOEFJYTWVNLW-PKOBYXMFSA-N 1 2 334.454 3.658 20 0 EHADLO Cc1cccc2c1CC[C@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001171580455 1137499430 /nfs/dbraw/zinc/49/94/30/1137499430.db2.gz UMHOEFJYTWVNLW-HKUYNNGSSA-N 1 2 334.454 3.658 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809791 1137514364 /nfs/dbraw/zinc/51/43/64/1137514364.db2.gz JKMIUYQVXJXAKO-DYVFJYSZSA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809791 1137514365 /nfs/dbraw/zinc/51/43/65/1137514365.db2.gz JKMIUYQVXJXAKO-DYVFJYSZSA-N 1 2 344.480 3.756 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001171861547 1137516222 /nfs/dbraw/zinc/51/62/22/1137516222.db2.gz PCGALDKKCPPFIJ-HXUWFJFHSA-N 1 2 345.446 3.768 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001171861547 1137516224 /nfs/dbraw/zinc/51/62/24/1137516224.db2.gz PCGALDKKCPPFIJ-HXUWFJFHSA-N 1 2 345.446 3.768 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCOc1cccc(C(C)(C)C)c1 ZINC001171954939 1137518725 /nfs/dbraw/zinc/51/87/25/1137518725.db2.gz UBUFQZQXNQVFMU-LJQANCHMSA-N 1 2 339.451 3.634 20 0 EHADLO Fc1ccc(OC2C[NH+]([C@@H]3CSc4ccccc4C3)C2)cc1F ZINC001172204332 1137540843 /nfs/dbraw/zinc/54/08/43/1137540843.db2.gz ZFPMLCQZHGVMKM-ZDUSSCGKSA-N 1 2 333.403 3.745 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172322927 1137547292 /nfs/dbraw/zinc/54/72/92/1137547292.db2.gz ZESVUBQSQUDIAC-LNLFQRSKSA-N 1 2 335.488 3.734 20 0 EHADLO C[N@H+](Cc1sc2ccccc2c1Cl)CC(C)(C)S(C)(=O)=O ZINC000123887154 1137563834 /nfs/dbraw/zinc/56/38/34/1137563834.db2.gz PFBKZEGVLLZZBC-UHFFFAOYSA-N 1 2 345.917 3.810 20 0 EHADLO C[N@@H+](Cc1sc2ccccc2c1Cl)CC(C)(C)S(C)(=O)=O ZINC000123887154 1137563835 /nfs/dbraw/zinc/56/38/35/1137563835.db2.gz PFBKZEGVLLZZBC-UHFFFAOYSA-N 1 2 345.917 3.810 20 0 EHADLO COCc1cc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)ccc1OC ZINC000872114769 1137572017 /nfs/dbraw/zinc/57/20/17/1137572017.db2.gz CASBKMCSNXBVPH-SNVBAGLBSA-N 1 2 326.849 3.802 20 0 EHADLO [NH3+][C@@H](c1nc(CC2CCCC2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872183065 1137575543 /nfs/dbraw/zinc/57/55/43/1137575543.db2.gz ZAASAXYPODABDJ-CQSZACIVSA-N 1 2 325.334 3.869 20 0 EHADLO FC(F)[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CCO1 ZINC000872257066 1137576431 /nfs/dbraw/zinc/57/64/31/1137576431.db2.gz KELKZARLNRFFNG-CQSZACIVSA-N 1 2 326.774 3.744 20 0 EHADLO FC(F)[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CCO1 ZINC000872257066 1137576432 /nfs/dbraw/zinc/57/64/32/1137576432.db2.gz KELKZARLNRFFNG-CQSZACIVSA-N 1 2 326.774 3.744 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)oc1C ZINC000872294046 1137578113 /nfs/dbraw/zinc/57/81/13/1137578113.db2.gz RUQPLZRHZZMBLP-UHFFFAOYSA-N 1 2 337.464 3.513 20 0 EHADLO Cc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)oc1C ZINC000872294046 1137578114 /nfs/dbraw/zinc/57/81/14/1137578114.db2.gz RUQPLZRHZZMBLP-UHFFFAOYSA-N 1 2 337.464 3.513 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(SC)CC2)C1 ZINC000872627355 1137582125 /nfs/dbraw/zinc/58/21/25/1137582125.db2.gz ABUNMGVDVUOTBK-ZDUSSCGKSA-N 1 2 340.558 3.600 20 0 EHADLO Clc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1Br ZINC000873080820 1137589766 /nfs/dbraw/zinc/58/97/66/1137589766.db2.gz UELILFPZQVFWQY-LBPRGKRZSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1Br ZINC000873080820 1137589767 /nfs/dbraw/zinc/58/97/67/1137589767.db2.gz UELILFPZQVFWQY-LBPRGKRZSA-N 1 2 340.652 3.993 20 0 EHADLO CCOc1cccc(F)c1C[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000873132861 1137590999 /nfs/dbraw/zinc/59/09/99/1137590999.db2.gz ILIWVGHORYPTOW-INIZCTEOSA-N 1 2 331.387 3.846 20 0 EHADLO CC(C)(C)c1nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)co1 ZINC000874146583 1137610969 /nfs/dbraw/zinc/61/09/69/1137610969.db2.gz KAWHUCWDNDNEES-UHFFFAOYSA-N 1 2 348.472 3.667 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000874324533 1137613139 /nfs/dbraw/zinc/61/31/39/1137613139.db2.gz PZHDLEKBUQOGBJ-HNNXBMFYSA-N 1 2 327.428 3.607 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825738621 1137613961 /nfs/dbraw/zinc/61/39/61/1137613961.db2.gz QNIJRBCMNLOVCY-JTQLQIEISA-N 1 2 346.843 3.693 20 0 EHADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)Cc2ccccc21 ZINC000874486989 1137615638 /nfs/dbraw/zinc/61/56/38/1137615638.db2.gz ODUZCJIZUVKYOB-KRWDZBQOSA-N 1 2 345.446 3.620 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000874604383 1137618954 /nfs/dbraw/zinc/61/89/54/1137618954.db2.gz IRSOIEDSZINNES-MRXNPFEDSA-N 1 2 331.847 3.721 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(Cc1cccs1)C1CC1 ZINC000876213522 1137646200 /nfs/dbraw/zinc/64/62/00/1137646200.db2.gz TZJNCVXCFPVSBS-SFHVURJKSA-N 1 2 341.480 3.609 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(Cc1cccs1)C1CC1 ZINC000876213522 1137646201 /nfs/dbraw/zinc/64/62/01/1137646201.db2.gz TZJNCVXCFPVSBS-SFHVURJKSA-N 1 2 341.480 3.609 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000876212398 1137646314 /nfs/dbraw/zinc/64/63/14/1137646314.db2.gz KAHMBVUNGJTMAV-KRWDZBQOSA-N 1 2 345.830 3.657 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000876212398 1137646315 /nfs/dbraw/zinc/64/63/15/1137646315.db2.gz KAHMBVUNGJTMAV-KRWDZBQOSA-N 1 2 345.830 3.657 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(Cl)cs1 ZINC000876512165 1137654380 /nfs/dbraw/zinc/65/43/80/1137654380.db2.gz HQTKYLFPFHBENC-NSHDSACASA-N 1 2 333.848 3.570 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876512165 1137654381 /nfs/dbraw/zinc/65/43/81/1137654381.db2.gz HQTKYLFPFHBENC-NSHDSACASA-N 1 2 333.848 3.570 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N)n1cc[nH+]c1 ZINC000876506332 1137654414 /nfs/dbraw/zinc/65/44/14/1137654414.db2.gz RUFNUZFZPBXXRN-AWEZNQCLSA-N 1 2 340.349 3.710 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(OC)cnc2F)c1 ZINC000876548861 1137655105 /nfs/dbraw/zinc/65/51/05/1137655105.db2.gz WCKPDEBMEPHZPA-KRWDZBQOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(OC)cnc2F)c1 ZINC000876548861 1137655106 /nfs/dbraw/zinc/65/51/06/1137655106.db2.gz WCKPDEBMEPHZPA-KRWDZBQOSA-N 1 2 346.402 3.584 20 0 EHADLO FC(F)(F)CN1CCC[N@H+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876568706 1137655873 /nfs/dbraw/zinc/65/58/73/1137655873.db2.gz PUTVHSDWYRCHFH-UHFFFAOYSA-N 1 2 347.768 3.551 20 0 EHADLO FC(F)(F)CN1CCC[N@@H+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876568706 1137655874 /nfs/dbraw/zinc/65/58/74/1137655874.db2.gz PUTVHSDWYRCHFH-UHFFFAOYSA-N 1 2 347.768 3.551 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1Br ZINC000876585609 1137656427 /nfs/dbraw/zinc/65/64/27/1137656427.db2.gz POPCTZZCEHOBSC-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccccn2)c1Br ZINC000876585609 1137656428 /nfs/dbraw/zinc/65/64/28/1137656428.db2.gz POPCTZZCEHOBSC-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC000876611427 1137656973 /nfs/dbraw/zinc/65/69/73/1137656973.db2.gz FHLOPXOFSFNDTL-UHFFFAOYSA-N 1 2 332.297 3.961 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC000876611427 1137656974 /nfs/dbraw/zinc/65/69/74/1137656974.db2.gz FHLOPXOFSFNDTL-UHFFFAOYSA-N 1 2 332.297 3.961 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cccc(F)c2OC(F)(F)F)cn1 ZINC000876739230 1137660086 /nfs/dbraw/zinc/66/00/86/1137660086.db2.gz BQJWDBDIFCDFTM-UHFFFAOYSA-N 1 2 331.313 3.573 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cccc(F)c2OC(F)(F)F)cn1 ZINC000876739230 1137660087 /nfs/dbraw/zinc/66/00/87/1137660087.db2.gz BQJWDBDIFCDFTM-UHFFFAOYSA-N 1 2 331.313 3.573 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nccc(C)c1Br ZINC000876806273 1137661823 /nfs/dbraw/zinc/66/18/23/1137661823.db2.gz MUTQFNYNHXQQHL-HNNXBMFYSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nccc(C)c1Br ZINC000876806273 1137661824 /nfs/dbraw/zinc/66/18/24/1137661824.db2.gz MUTQFNYNHXQQHL-HNNXBMFYSA-N 1 2 349.276 3.532 20 0 EHADLO C[C@@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000876809540 1137662281 /nfs/dbraw/zinc/66/22/81/1137662281.db2.gz ZJMVDAULSFIGDD-IAQYHMDHSA-N 1 2 325.243 3.668 20 0 EHADLO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000876820448 1137662660 /nfs/dbraw/zinc/66/26/60/1137662660.db2.gz WONJPBPHIRKJJO-IQMFZBJNSA-N 1 2 340.404 3.658 20 0 EHADLO OC1CCN(c2ccc([NH2+]C[C@H]3CCc4ccccc4C3)cc2)CC1 ZINC000876822177 1137662736 /nfs/dbraw/zinc/66/27/36/1137662736.db2.gz RRJMBESMBAGPAQ-KRWDZBQOSA-N 1 2 336.479 3.865 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877004152 1137667380 /nfs/dbraw/zinc/66/73/80/1137667380.db2.gz HWLNACAHJUADDY-UHFFFAOYSA-N 1 2 344.724 3.530 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2c(F)c(F)cc(F)c2F)c1C ZINC000877082346 1137669922 /nfs/dbraw/zinc/66/99/22/1137669922.db2.gz PQSZZBVXXFDXCK-UHFFFAOYSA-N 1 2 328.309 3.553 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc(Cl)c3N)c[nH+]2)C[C@H](C)O1 ZINC000877160867 1137671946 /nfs/dbraw/zinc/67/19/46/1137671946.db2.gz AFUFXXJMGJGBKR-BETUJISGSA-N 1 2 346.862 3.543 20 0 EHADLO CCN(CC)C(=O)CCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000877193485 1137672608 /nfs/dbraw/zinc/67/26/08/1137672608.db2.gz FUHBPGXRZNYMQD-UHFFFAOYSA-N 1 2 343.924 3.657 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nc(Cl)cs2)CC1 ZINC000877377170 1137674930 /nfs/dbraw/zinc/67/49/30/1137674930.db2.gz XBJRLNWOXQFKNR-NSHDSACASA-N 1 2 327.906 3.737 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000877376599 1137674999 /nfs/dbraw/zinc/67/49/99/1137674999.db2.gz VGOODLIZYXXOIO-INIZCTEOSA-N 1 2 328.460 3.652 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000877376599 1137675000 /nfs/dbraw/zinc/67/50/00/1137675000.db2.gz VGOODLIZYXXOIO-INIZCTEOSA-N 1 2 328.460 3.652 20 0 EHADLO CCCn1cc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)nn1 ZINC000877461030 1137677025 /nfs/dbraw/zinc/67/70/25/1137677025.db2.gz WPVNRJQTQKVMGY-UHFFFAOYSA-N 1 2 339.443 3.517 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877487512 1137678103 /nfs/dbraw/zinc/67/81/03/1137678103.db2.gz XAIBYDKKJJFLEA-MNOVXSKESA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877487512 1137678104 /nfs/dbraw/zinc/67/81/04/1137678104.db2.gz XAIBYDKKJJFLEA-MNOVXSKESA-N 1 2 347.684 3.623 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1C1CCC1 ZINC000825973336 1137678987 /nfs/dbraw/zinc/67/89/87/1137678987.db2.gz DYZGEMNTYRPYLO-LJQANCHMSA-N 1 2 338.455 3.737 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1 ZINC000877534259 1137680230 /nfs/dbraw/zinc/68/02/30/1137680230.db2.gz CUTVOHXACSWAHN-UHFFFAOYSA-N 1 2 347.434 3.729 20 0 EHADLO Cc1ccoc1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877546897 1137680771 /nfs/dbraw/zinc/68/07/71/1137680771.db2.gz NNSJSDJRZGEGOE-UHFFFAOYSA-N 1 2 349.431 3.626 20 0 EHADLO OCCCCOc1ccccc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000877552024 1137680931 /nfs/dbraw/zinc/68/09/31/1137680931.db2.gz ISNUFCDSCHGNCI-UHFFFAOYSA-N 1 2 339.357 3.545 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000877588933 1137682183 /nfs/dbraw/zinc/68/21/83/1137682183.db2.gz CGZCMHLUSMKGGN-SFHVURJKSA-N 1 2 342.414 3.583 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000877588933 1137682184 /nfs/dbraw/zinc/68/21/84/1137682184.db2.gz CGZCMHLUSMKGGN-SFHVURJKSA-N 1 2 342.414 3.583 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(Cl)ccc2Br)cc(C)n1 ZINC000877594679 1137682343 /nfs/dbraw/zinc/68/23/43/1137682343.db2.gz IPZOHVYHGIZTGV-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO CCOc1cc(C[NH2+]Cc2ncc(Cl)s2)cc(Cl)c1O ZINC000877805988 1137690486 /nfs/dbraw/zinc/69/04/86/1137690486.db2.gz BNVAWPHMCBNHBT-UHFFFAOYSA-N 1 2 333.240 3.844 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c(C)n1 ZINC000877809635 1137690659 /nfs/dbraw/zinc/69/06/59/1137690659.db2.gz FFIPWBFCJAKCIO-SNVBAGLBSA-N 1 2 344.365 3.877 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3scnc3Cl)CC2)cc1 ZINC000877972047 1137697510 /nfs/dbraw/zinc/69/75/10/1137697510.db2.gz UTQXXHYYPXEXIY-UHFFFAOYSA-N 1 2 338.860 3.849 20 0 EHADLO CC(C)(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(F)F ZINC000878026331 1137700021 /nfs/dbraw/zinc/70/00/21/1137700021.db2.gz NHLKCBLKYZZXSV-UHFFFAOYSA-N 1 2 340.414 3.529 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccn(C)n2)n1)[C@H](C)c1cccc(O)c1 ZINC000878167892 1137705522 /nfs/dbraw/zinc/70/55/22/1137705522.db2.gz LAEROWHSVYOQLH-CYBMUJFWSA-N 1 2 342.468 3.832 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccn(C)n2)n1)[C@H](C)c1cccc(O)c1 ZINC000878167892 1137705523 /nfs/dbraw/zinc/70/55/23/1137705523.db2.gz LAEROWHSVYOQLH-CYBMUJFWSA-N 1 2 342.468 3.832 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccn(C)n2)n1)[C@@H](C)c1cccc(O)c1 ZINC000878167893 1137705553 /nfs/dbraw/zinc/70/55/53/1137705553.db2.gz LAEROWHSVYOQLH-ZDUSSCGKSA-N 1 2 342.468 3.832 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccn(C)n2)n1)[C@@H](C)c1cccc(O)c1 ZINC000878167893 1137705554 /nfs/dbraw/zinc/70/55/54/1137705554.db2.gz LAEROWHSVYOQLH-ZDUSSCGKSA-N 1 2 342.468 3.832 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](CCC(F)(F)F)CC3CC3)cs2)n1 ZINC000878179025 1137706216 /nfs/dbraw/zinc/70/62/16/1137706216.db2.gz RZZDEMPHONKRIU-UHFFFAOYSA-N 1 2 344.406 3.708 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](CCC(F)(F)F)CC3CC3)cs2)n1 ZINC000878179025 1137706217 /nfs/dbraw/zinc/70/62/17/1137706217.db2.gz RZZDEMPHONKRIU-UHFFFAOYSA-N 1 2 344.406 3.708 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000878190382 1137706525 /nfs/dbraw/zinc/70/65/25/1137706525.db2.gz HIWNZBJKDVMOSB-CABCVRRESA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000878190382 1137706526 /nfs/dbraw/zinc/70/65/26/1137706526.db2.gz HIWNZBJKDVMOSB-CABCVRRESA-N 1 2 338.879 3.722 20 0 EHADLO CC(C)(CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)CC(F)F ZINC000878283801 1137709676 /nfs/dbraw/zinc/70/96/76/1137709676.db2.gz PLUMCZXNOJAOKA-UHFFFAOYSA-N 1 2 339.430 3.760 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@@H](CO)c2sccc2C)co1 ZINC000878459192 1137716917 /nfs/dbraw/zinc/71/69/17/1137716917.db2.gz BAUOEJYVPAWPAC-HNNXBMFYSA-N 1 2 344.436 3.543 20 0 EHADLO COc1ccc(C[N@H+](Cc2nocc2C)[C@H](C)C2CC2)c(OC)c1 ZINC000878564524 1137720490 /nfs/dbraw/zinc/72/04/90/1137720490.db2.gz BWQNLSLUCRMBSK-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nocc2C)[C@H](C)C2CC2)c(OC)c1 ZINC000878564524 1137720491 /nfs/dbraw/zinc/72/04/91/1137720491.db2.gz BWQNLSLUCRMBSK-CQSZACIVSA-N 1 2 330.428 3.801 20 0 EHADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878705971 1137725759 /nfs/dbraw/zinc/72/57/59/1137725759.db2.gz NYZFYNVYOCHTJD-NEPJUHHUSA-N 1 2 342.226 3.701 20 0 EHADLO CCOCc1noc2c1C[N@H+](Cc1ccccc1OC(C)C)CC2 ZINC001137137729 1137730597 /nfs/dbraw/zinc/73/05/97/1137730597.db2.gz IFCQBESAWDCRAG-UHFFFAOYSA-N 1 2 330.428 3.557 20 0 EHADLO CCOCc1noc2c1C[N@@H+](Cc1ccccc1OC(C)C)CC2 ZINC001137137729 1137730598 /nfs/dbraw/zinc/73/05/98/1137730598.db2.gz IFCQBESAWDCRAG-UHFFFAOYSA-N 1 2 330.428 3.557 20 0 EHADLO Cc1ccc(-c2noc(CSCc3cc[nH+]c(N(C)C)c3)n2)cc1 ZINC000127400421 1137730877 /nfs/dbraw/zinc/73/08/77/1137730877.db2.gz FPKBVVGDNVWEME-UHFFFAOYSA-N 1 2 340.452 3.939 20 0 EHADLO C[N@H+](Cc1scnc1Cl)CC(C)(C)NC(=O)OC(C)(C)C ZINC000878885972 1137730988 /nfs/dbraw/zinc/73/09/88/1137730988.db2.gz VZOWCXLJFQASEH-UHFFFAOYSA-N 1 2 333.885 3.532 20 0 EHADLO C[N@@H+](Cc1scnc1Cl)CC(C)(C)NC(=O)OC(C)(C)C ZINC000878885972 1137730989 /nfs/dbraw/zinc/73/09/89/1137730989.db2.gz VZOWCXLJFQASEH-UHFFFAOYSA-N 1 2 333.885 3.532 20 0 EHADLO C[C@@H](SCc1cc[nH+]c(N(C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000127680483 1137744768 /nfs/dbraw/zinc/74/47/68/1137744768.db2.gz CCSJAERDHCRLHS-CQSZACIVSA-N 1 2 339.468 3.723 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)o1 ZINC000879550531 1137750537 /nfs/dbraw/zinc/75/05/37/1137750537.db2.gz QFBWSZJEEAXZID-UHFFFAOYSA-N 1 2 330.432 3.828 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558603 1137750712 /nfs/dbraw/zinc/75/07/12/1137750712.db2.gz KMIUTSFHMXYWKU-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558603 1137750713 /nfs/dbraw/zinc/75/07/13/1137750713.db2.gz KMIUTSFHMXYWKU-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557094 1137750825 /nfs/dbraw/zinc/75/08/25/1137750825.db2.gz BDAJSGAXDYEQJB-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557094 1137750826 /nfs/dbraw/zinc/75/08/26/1137750826.db2.gz BDAJSGAXDYEQJB-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000879625336 1137752709 /nfs/dbraw/zinc/75/27/09/1137752709.db2.gz AQPLMERZBXCMEA-UHFFFAOYSA-N 1 2 342.270 3.624 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000879748272 1137757643 /nfs/dbraw/zinc/75/76/43/1137757643.db2.gz HDUGTHULFDEXHV-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000879748272 1137757644 /nfs/dbraw/zinc/75/76/44/1137757644.db2.gz HDUGTHULFDEXHV-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000879749300 1137757772 /nfs/dbraw/zinc/75/77/72/1137757772.db2.gz WMMFILPAJMWXDU-AWEZNQCLSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000879749300 1137757773 /nfs/dbraw/zinc/75/77/73/1137757773.db2.gz WMMFILPAJMWXDU-AWEZNQCLSA-N 1 2 326.425 3.839 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999875 1137764049 /nfs/dbraw/zinc/76/40/49/1137764049.db2.gz CGFIHEQTHDXXAI-BLLLJJGKSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999875 1137764050 /nfs/dbraw/zinc/76/40/50/1137764050.db2.gz CGFIHEQTHDXXAI-BLLLJJGKSA-N 1 2 339.361 3.996 20 0 EHADLO Fc1ccc(-c2cc(C[N@@H+]3CCO[C@@H](C(F)(F)F)CC3)on2)cc1 ZINC000880045238 1137766357 /nfs/dbraw/zinc/76/63/57/1137766357.db2.gz FCPDULWDRZNPCI-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO Fc1ccc(-c2cc(C[N@H+]3CCO[C@@H](C(F)(F)F)CC3)on2)cc1 ZINC000880045238 1137766358 /nfs/dbraw/zinc/76/63/58/1137766358.db2.gz FCPDULWDRZNPCI-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](CF)C1)Nc1ccccc1SC(F)F ZINC000880230990 1137771732 /nfs/dbraw/zinc/77/17/32/1137771732.db2.gz RYFKVDNCLJCPKM-LLVKDONJSA-N 1 2 332.391 3.621 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](CF)C1)Nc1ccccc1SC(F)F ZINC000880230990 1137771733 /nfs/dbraw/zinc/77/17/33/1137771733.db2.gz RYFKVDNCLJCPKM-LLVKDONJSA-N 1 2 332.391 3.621 20 0 EHADLO Clc1cc(Br)cc(C2([NH2+]Cc3cc[nH]n3)CC2)c1 ZINC000880352494 1137775932 /nfs/dbraw/zinc/77/59/32/1137775932.db2.gz UMPWMBDDRJTXRQ-UHFFFAOYSA-N 1 2 326.625 3.605 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C1CC(OC(C)(C)C)C1)C3 ZINC000880370151 1137776744 /nfs/dbraw/zinc/77/67/44/1137776744.db2.gz YYVSDHCWNGIQSA-UHFFFAOYSA-N 1 2 328.456 3.881 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C1CC(OC(C)(C)C)C1)C3 ZINC000880370151 1137776745 /nfs/dbraw/zinc/77/67/45/1137776745.db2.gz YYVSDHCWNGIQSA-UHFFFAOYSA-N 1 2 328.456 3.881 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880378207 1137777312 /nfs/dbraw/zinc/77/73/12/1137777312.db2.gz QCJCGRDVDBXGAA-CYBMUJFWSA-N 1 2 330.453 3.705 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCc2ccsc2[C@H]1C ZINC000880378207 1137777313 /nfs/dbraw/zinc/77/73/13/1137777313.db2.gz QCJCGRDVDBXGAA-CYBMUJFWSA-N 1 2 330.453 3.705 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H](CO)c1ccccc1 ZINC000880460020 1137779035 /nfs/dbraw/zinc/77/90/35/1137779035.db2.gz NUNXXVGUGZDGEG-SFHVURJKSA-N 1 2 339.464 3.761 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H](CO)c1ccccc1 ZINC000880460020 1137779036 /nfs/dbraw/zinc/77/90/36/1137779036.db2.gz NUNXXVGUGZDGEG-SFHVURJKSA-N 1 2 339.464 3.761 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000880597334 1137782028 /nfs/dbraw/zinc/78/20/28/1137782028.db2.gz SZDNDZTUMGIQIY-UHFFFAOYSA-N 1 2 325.359 3.647 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000880597334 1137782029 /nfs/dbraw/zinc/78/20/29/1137782029.db2.gz SZDNDZTUMGIQIY-UHFFFAOYSA-N 1 2 325.359 3.647 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CCc2ccccc21 ZINC000626133297 1137788800 /nfs/dbraw/zinc/78/88/00/1137788800.db2.gz KVPSGIBFUJWCMR-DYVFJYSZSA-N 1 2 343.496 3.940 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CCc2ccccc21 ZINC000626133297 1137788801 /nfs/dbraw/zinc/78/88/01/1137788801.db2.gz KVPSGIBFUJWCMR-DYVFJYSZSA-N 1 2 343.496 3.940 20 0 EHADLO CCCOc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1C(C)C ZINC000881193083 1137803210 /nfs/dbraw/zinc/80/32/10/1137803210.db2.gz MRLYVZJFRMFPJW-UHFFFAOYSA-N 1 2 330.432 3.654 20 0 EHADLO Fc1c[nH+]ccc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC000881892595 1137817199 /nfs/dbraw/zinc/81/71/99/1137817199.db2.gz GAJUFBFEBLZZKP-OAHLLOKOSA-N 1 2 337.192 3.561 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904084 1137820119 /nfs/dbraw/zinc/82/01/19/1137820119.db2.gz HPIVMOLQDBCXIR-KBAYOESNSA-N 1 2 325.456 3.821 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904084 1137820120 /nfs/dbraw/zinc/82/01/20/1137820120.db2.gz HPIVMOLQDBCXIR-KBAYOESNSA-N 1 2 325.456 3.821 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CSCc2ccc[nH+]c2N)CC1 ZINC000882151051 1137822227 /nfs/dbraw/zinc/82/22/27/1137822227.db2.gz IBADRCXLWNYKFP-UHFFFAOYSA-N 1 2 337.489 3.544 20 0 EHADLO FC1(F)CN(Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCCC1 ZINC001137178866 1137830052 /nfs/dbraw/zinc/83/00/52/1137830052.db2.gz CMHOMMKRFJWDSX-QGZVFWFLSA-N 1 2 331.410 3.540 20 0 EHADLO CC(C)(C)C(=O)CCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872107 1137836124 /nfs/dbraw/zinc/83/61/24/1137836124.db2.gz WSPGYEKMNJZTDM-KRWDZBQOSA-N 1 2 341.455 3.526 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871606 1137836244 /nfs/dbraw/zinc/83/62/44/1137836244.db2.gz KJEQLIYSFPTOSQ-HBMCJLEFSA-N 1 2 345.446 3.853 20 0 EHADLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000130680093 1137840659 /nfs/dbraw/zinc/84/06/59/1137840659.db2.gz UFOLRKJPAQGTSD-GOSISDBHSA-N 1 2 325.456 3.768 20 0 EHADLO CC(C)CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000130680093 1137840660 /nfs/dbraw/zinc/84/06/60/1137840660.db2.gz UFOLRKJPAQGTSD-GOSISDBHSA-N 1 2 325.456 3.768 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[NH+]1CCSCC1 ZINC000130921653 1137843788 /nfs/dbraw/zinc/84/37/88/1137843788.db2.gz QGIKECWLSJACQS-HNNXBMFYSA-N 1 2 341.480 3.806 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000883259148 1137851051 /nfs/dbraw/zinc/85/10/51/1137851051.db2.gz CWNNKUMUZSZYNB-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(Br)c1 ZINC000883313391 1137854139 /nfs/dbraw/zinc/85/41/39/1137854139.db2.gz CFZZPDUBCHMZFP-GFCCVEGCSA-N 1 2 332.245 3.969 20 0 EHADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000883382869 1137858334 /nfs/dbraw/zinc/85/83/34/1137858334.db2.gz OOHRRCRACWDOHV-CVEARBPZSA-N 1 2 335.220 3.959 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000883463450 1137861117 /nfs/dbraw/zinc/86/11/17/1137861117.db2.gz QDHLJXNHZDRISZ-KRWDZBQOSA-N 1 2 338.386 3.911 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000131911782 1137861340 /nfs/dbraw/zinc/86/13/40/1137861340.db2.gz SIGHYEXQEBYEPW-SJORKVTESA-N 1 2 343.515 3.664 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132710766 1137868653 /nfs/dbraw/zinc/86/86/53/1137868653.db2.gz ITKXRCNGPPENKC-BXUZGUMPSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132710766 1137868654 /nfs/dbraw/zinc/86/86/54/1137868654.db2.gz ITKXRCNGPPENKC-BXUZGUMPSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000103298344 1137875811 /nfs/dbraw/zinc/87/58/11/1137875811.db2.gz QMHJJARBHRZLQD-CYBMUJFWSA-N 1 2 332.835 3.644 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C(C)=O)cs3)c2C1 ZINC000106648347 1137884214 /nfs/dbraw/zinc/88/42/14/1137884214.db2.gz GFBZYOFUUBDVGT-UHFFFAOYSA-N 1 2 328.437 3.929 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C(C)=O)cs3)c2C1 ZINC000106648347 1137884215 /nfs/dbraw/zinc/88/42/15/1137884215.db2.gz GFBZYOFUUBDVGT-UHFFFAOYSA-N 1 2 328.437 3.929 20 0 EHADLO C[C@@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)c1ccccn1 ZINC000282857688 1137886083 /nfs/dbraw/zinc/88/60/83/1137886083.db2.gz WYBWLYRFUAHBTK-OTYXRUKQSA-N 1 2 337.192 3.768 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c[nH+]1 ZINC000883984793 1137887243 /nfs/dbraw/zinc/88/72/43/1137887243.db2.gz FTCKVMRLHRMXCT-BETUJISGSA-N 1 2 331.382 3.506 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109784026 1137897468 /nfs/dbraw/zinc/89/74/68/1137897468.db2.gz PIKBAQCEESZYNN-GFCCVEGCSA-N 1 2 348.830 3.686 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109784026 1137897469 /nfs/dbraw/zinc/89/74/69/1137897469.db2.gz PIKBAQCEESZYNN-GFCCVEGCSA-N 1 2 348.830 3.686 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000111312261 1137904168 /nfs/dbraw/zinc/90/41/68/1137904168.db2.gz CQOJZLSEHDBZEK-OAHLLOKOSA-N 1 2 333.432 3.539 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000111312261 1137904169 /nfs/dbraw/zinc/90/41/69/1137904169.db2.gz CQOJZLSEHDBZEK-OAHLLOKOSA-N 1 2 333.432 3.539 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000111376442 1137904350 /nfs/dbraw/zinc/90/43/50/1137904350.db2.gz YMIKRKPOQNPMHV-STQMWFEESA-N 1 2 349.475 3.542 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc[nH+]1 ZINC000112298195 1137907128 /nfs/dbraw/zinc/90/71/28/1137907128.db2.gz ROFDPEMWTDCMOI-UHFFFAOYSA-N 1 2 336.395 3.990 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644561 1137915769 /nfs/dbraw/zinc/91/57/69/1137915769.db2.gz QZCUIJODVDPKRC-CJNGLKHVSA-N 1 2 329.444 3.959 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644561 1137915770 /nfs/dbraw/zinc/91/57/70/1137915770.db2.gz QZCUIJODVDPKRC-CJNGLKHVSA-N 1 2 329.444 3.959 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cnn(C)c2)cc1Cl ZINC000331736994 1137918763 /nfs/dbraw/zinc/91/87/63/1137918763.db2.gz UFBAJGVAUJDJJQ-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cnn(C)c2)cc1Cl ZINC000331736994 1137918764 /nfs/dbraw/zinc/91/87/64/1137918764.db2.gz UFBAJGVAUJDJJQ-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1c(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)oc2ccccc12 ZINC000115600642 1137922410 /nfs/dbraw/zinc/92/24/10/1137922410.db2.gz BWRORGFUGVRKDK-HXUWFJFHSA-N 1 2 334.419 3.851 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000115859345 1137923855 /nfs/dbraw/zinc/92/38/55/1137923855.db2.gz CLYYGDSIQPENRF-INIZCTEOSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000331900950 1137925023 /nfs/dbraw/zinc/92/50/23/1137925023.db2.gz SIKNJBQFZHGHRC-KRWDZBQOSA-N 1 2 325.412 3.612 20 0 EHADLO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000331988079 1137927785 /nfs/dbraw/zinc/92/77/85/1137927785.db2.gz PAXDFYRVYHDEAF-UHFFFAOYSA-N 1 2 336.844 3.610 20 0 EHADLO CCc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000332084447 1137931166 /nfs/dbraw/zinc/93/11/66/1137931166.db2.gz PQBRDBUEONSURV-UHFFFAOYSA-N 1 2 338.455 3.743 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000118052140 1137932021 /nfs/dbraw/zinc/93/20/21/1137932021.db2.gz MMGFBLAXCBJDAO-NSHDSACASA-N 1 2 341.242 3.640 20 0 EHADLO Cc1cc2oc(=O)cc(C[NH2+]C(C)(C)c3nccs3)c2cc1C ZINC000118848128 1137935899 /nfs/dbraw/zinc/93/58/99/1137935899.db2.gz RHVKQAIYHOBHCO-UHFFFAOYSA-N 1 2 328.437 3.891 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332409275 1137943076 /nfs/dbraw/zinc/94/30/76/1137943076.db2.gz QLGIJDRMPJTLGP-UHFFFAOYSA-N 1 2 341.459 3.666 20 0 EHADLO CCCCC1CCC(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000332411218 1137943101 /nfs/dbraw/zinc/94/31/01/1137943101.db2.gz RGUPXVFQKASTCJ-AKSNENBUSA-N 1 2 347.503 3.753 20 0 EHADLO Cc1cc2occ(CC(=O)N3CCC(n4cc[nH+]c4)CC3)c2cc1C ZINC000120324898 1137948620 /nfs/dbraw/zinc/94/86/20/1137948620.db2.gz GQXKJNOLQZEXJW-UHFFFAOYSA-N 1 2 337.423 3.652 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cs1 ZINC000120442933 1137949713 /nfs/dbraw/zinc/94/97/13/1137949713.db2.gz OGFTZXNKFYGZPS-KRWDZBQOSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cs1 ZINC000120442933 1137949714 /nfs/dbraw/zinc/94/97/14/1137949714.db2.gz OGFTZXNKFYGZPS-KRWDZBQOSA-N 1 2 344.484 3.628 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc2c(c1)NC(=O)CO2 ZINC000348321013 1137950472 /nfs/dbraw/zinc/95/04/72/1137950472.db2.gz RAJDFDNNPMSXDU-ZDUSSCGKSA-N 1 2 349.390 3.523 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000120821620 1137952700 /nfs/dbraw/zinc/95/27/00/1137952700.db2.gz RVYDNNGQQLBKQC-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000120847237 1137952950 /nfs/dbraw/zinc/95/29/50/1137952950.db2.gz AWZPKKWNRNZZJH-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)C(C)C ZINC000120871066 1137953092 /nfs/dbraw/zinc/95/30/92/1137953092.db2.gz RNGVBPXRFDVTFK-HOCLYGCPSA-N 1 2 337.427 3.883 20 0 EHADLO CCOc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000120961865 1137953902 /nfs/dbraw/zinc/95/39/02/1137953902.db2.gz HXTQTEIGKCYTRV-UHFFFAOYSA-N 1 2 326.440 3.530 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000121030175 1137954539 /nfs/dbraw/zinc/95/45/39/1137954539.db2.gz MPLDXKMYMUOTSP-ZDUSSCGKSA-N 1 2 349.862 3.680 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000121030175 1137954540 /nfs/dbraw/zinc/95/45/40/1137954540.db2.gz MPLDXKMYMUOTSP-ZDUSSCGKSA-N 1 2 349.862 3.680 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000333130369 1137956172 /nfs/dbraw/zinc/95/61/72/1137956172.db2.gz ILBGLMMFXWXRRC-JCNLHEQBSA-N 1 2 344.503 3.687 20 0 EHADLO CC[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc2ccccc21 ZINC000884407296 1137959400 /nfs/dbraw/zinc/95/94/00/1137959400.db2.gz YUSGZTHELIQMOL-IBGZPJMESA-N 1 2 336.439 3.566 20 0 EHADLO C[C@H](CC(=O)OC[C@H]1CCC[C@@H](c2ccccc2)O1)n1cc[nH+]c1 ZINC000884566787 1137963264 /nfs/dbraw/zinc/96/32/64/1137963264.db2.gz SZUKVMLZIRNIRX-NXHRZFHOSA-N 1 2 328.412 3.688 20 0 EHADLO CCc1ccc(C[N@@H+]2C[C@@H](COc3ccccc3)OC(C)(C)C2)cn1 ZINC000348337043 1137976409 /nfs/dbraw/zinc/97/64/09/1137976409.db2.gz AZJMSKLFZVUTRH-FQEVSTJZSA-N 1 2 340.467 3.702 20 0 EHADLO CCc1ccc(C[N@H+]2C[C@@H](COc3ccccc3)OC(C)(C)C2)cn1 ZINC000348337043 1137976413 /nfs/dbraw/zinc/97/64/13/1137976413.db2.gz AZJMSKLFZVUTRH-FQEVSTJZSA-N 1 2 340.467 3.702 20 0 EHADLO C[C@]1(Cc2cccs2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000885249080 1137992256 /nfs/dbraw/zinc/99/22/56/1137992256.db2.gz XVNZZLHSYJMTHW-GOSISDBHSA-N 1 2 325.437 3.862 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC2(CCC2)CC1 ZINC000890248531 1138023098 /nfs/dbraw/zinc/02/30/98/1138023098.db2.gz PDKPRCMKRRPCRG-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)c(F)c1OC ZINC000886019617 1138032892 /nfs/dbraw/zinc/03/28/92/1138032892.db2.gz XTRJJZSREHWOJI-ZDUSSCGKSA-N 1 2 337.778 3.720 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H](C)C(C)C ZINC000890266126 1138070192 /nfs/dbraw/zinc/07/01/92/1138070192.db2.gz WYKLGJBSASSQDI-WMZOPIPTSA-N 1 2 328.460 3.700 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000070043446 1138092158 /nfs/dbraw/zinc/09/21/58/1138092158.db2.gz DNWGNKJGFMBAMB-HOTGVXAUSA-N 1 2 345.487 3.560 20 0 EHADLO CO[C@@H]1CCC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000886584614 1138099341 /nfs/dbraw/zinc/09/93/41/1138099341.db2.gz SBMVIOORBXXSDX-IAGOWNOFSA-N 1 2 329.444 3.722 20 0 EHADLO CC[C@@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1nccs1 ZINC000072683802 1138107315 /nfs/dbraw/zinc/10/73/15/1138107315.db2.gz VSYBUJBBKOLJSY-OAHLLOKOSA-N 1 2 341.839 3.789 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](CC(=O)c3ccccc3F)C2)n1 ZINC000886689526 1138115845 /nfs/dbraw/zinc/11/58/45/1138115845.db2.gz BUERDOGDYGYWMI-AWEZNQCLSA-N 1 2 332.444 3.728 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](CC(=O)c3ccccc3F)C2)n1 ZINC000886689526 1138115847 /nfs/dbraw/zinc/11/58/47/1138115847.db2.gz BUERDOGDYGYWMI-AWEZNQCLSA-N 1 2 332.444 3.728 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)s3)C2)n1 ZINC000886691622 1138116679 /nfs/dbraw/zinc/11/66/79/1138116679.db2.gz IYYDHVXPLJHVEW-ZDUSSCGKSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nnc(C(C)C)s3)C2)n1 ZINC000886691622 1138116680 /nfs/dbraw/zinc/11/66/80/1138116680.db2.gz IYYDHVXPLJHVEW-ZDUSSCGKSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886712374 1138122950 /nfs/dbraw/zinc/12/29/50/1138122950.db2.gz BVSKJWZYQACNBV-SFHVURJKSA-N 1 2 337.398 3.885 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000886724159 1138125895 /nfs/dbraw/zinc/12/58/95/1138125895.db2.gz YRKFVAOCFJQYOF-UHFFFAOYSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000080059010 1138160585 /nfs/dbraw/zinc/16/05/85/1138160585.db2.gz RMIVZUJWINJFFK-IBGZPJMESA-N 1 2 325.456 3.830 20 0 EHADLO C[N@H+](Cc1csc(COc2ccc(F)cc2)n1)[C@H]1CCSC1 ZINC000089937971 1138207679 /nfs/dbraw/zinc/20/76/79/1138207679.db2.gz HVZHJRXAHFCBMC-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO C[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)[C@H]1CCSC1 ZINC000089937971 1138207680 /nfs/dbraw/zinc/20/76/80/1138207680.db2.gz HVZHJRXAHFCBMC-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO C[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2n1C ZINC000091288381 1138218193 /nfs/dbraw/zinc/21/81/93/1138218193.db2.gz TYBPHRONCGMPCP-IFXJQAMLSA-N 1 2 340.446 3.666 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2[N@@H+]1Cc1cncs1 ZINC000887143945 1138221910 /nfs/dbraw/zinc/22/19/10/1138221910.db2.gz VOSMIDFZIUKARN-SZMVWBNQSA-N 1 2 342.464 3.630 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2[N@H+]1Cc1cncs1 ZINC000887143945 1138221912 /nfs/dbraw/zinc/22/19/12/1138221912.db2.gz VOSMIDFZIUKARN-SZMVWBNQSA-N 1 2 342.464 3.630 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000093364858 1138237061 /nfs/dbraw/zinc/23/70/61/1138237061.db2.gz AYSDHYKIIVBJIE-CQSZACIVSA-N 1 2 338.908 3.910 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000093364858 1138237064 /nfs/dbraw/zinc/23/70/64/1138237064.db2.gz AYSDHYKIIVBJIE-CQSZACIVSA-N 1 2 338.908 3.910 20 0 EHADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137239047 1138242130 /nfs/dbraw/zinc/24/21/30/1138242130.db2.gz DSYVRTZBIVNRQS-UHFFFAOYSA-N 1 2 344.846 3.521 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]C[C@@H]3CCCO3)c3ccccc3)n2)cc1 ZINC000122934190 1138264363 /nfs/dbraw/zinc/26/43/63/1138264363.db2.gz KMJJTQHGMFOGQK-ROUUACIJSA-N 1 2 335.407 3.595 20 0 EHADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC001202754927 1138291319 /nfs/dbraw/zinc/29/13/19/1138291319.db2.gz ADOIBNSZENVRNK-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(F)c(Cl)c1 ZINC000125606574 1138312943 /nfs/dbraw/zinc/31/29/43/1138312943.db2.gz NCZOAJDRBBBKKY-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(F)c(Cl)c1 ZINC000125606574 1138312947 /nfs/dbraw/zinc/31/29/47/1138312947.db2.gz NCZOAJDRBBBKKY-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000126098316 1138324038 /nfs/dbraw/zinc/32/40/38/1138324038.db2.gz PLPHHNVKEJQXHD-CQSZACIVSA-N 1 2 347.409 3.862 20 0 EHADLO CCc1noc(CC)c1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212812206 1138341366 /nfs/dbraw/zinc/34/13/66/1138341366.db2.gz GVOMCFCOATVSOT-UHFFFAOYSA-N 1 2 335.367 3.702 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1C ZINC000127954475 1138375757 /nfs/dbraw/zinc/37/57/57/1138375757.db2.gz AZKKMLWMVRSQPI-SJORKVTESA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1C ZINC000127954475 1138375761 /nfs/dbraw/zinc/37/57/61/1138375761.db2.gz AZKKMLWMVRSQPI-SJORKVTESA-N 1 2 325.456 3.569 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263831544 1138376544 /nfs/dbraw/zinc/37/65/44/1138376544.db2.gz NLLTVTHUKSFJQY-UHFFFAOYSA-N 1 2 348.450 3.695 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000263879212 1138385462 /nfs/dbraw/zinc/38/54/62/1138385462.db2.gz WLGWKBAEOSOAJG-UHFFFAOYSA-N 1 2 348.450 3.510 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000263895867 1138388074 /nfs/dbraw/zinc/38/80/74/1138388074.db2.gz XAEXCJDBJAXCEH-UHFFFAOYSA-N 1 2 348.468 3.957 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000263932788 1138394526 /nfs/dbraw/zinc/39/45/26/1138394526.db2.gz ZXNQTGDQWVRAFI-YPDDLIOESA-N 1 2 329.831 3.873 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263943689 1138396145 /nfs/dbraw/zinc/39/61/45/1138396145.db2.gz KECZATLJNKCCAE-INIZCTEOSA-N 1 2 348.406 3.617 20 0 EHADLO CC1(C)CC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CCS1 ZINC000336870871 1138418143 /nfs/dbraw/zinc/41/81/43/1138418143.db2.gz CHMPQXRERGEXLL-UHFFFAOYSA-N 1 2 349.525 3.603 20 0 EHADLO CC1(C)CC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CCS1 ZINC000336870871 1138418144 /nfs/dbraw/zinc/41/81/44/1138418144.db2.gz CHMPQXRERGEXLL-UHFFFAOYSA-N 1 2 349.525 3.603 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C2CCC2)c1 ZINC000336879825 1138419856 /nfs/dbraw/zinc/41/98/56/1138419856.db2.gz BBMKGFNEARXHBD-UHFFFAOYSA-N 1 2 335.451 3.748 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860267 1138425356 /nfs/dbraw/zinc/42/53/56/1138425356.db2.gz NNKXZFVMRVGEDU-BZNIZROVSA-N 1 2 330.453 3.728 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860267 1138425358 /nfs/dbraw/zinc/42/53/58/1138425358.db2.gz NNKXZFVMRVGEDU-BZNIZROVSA-N 1 2 330.453 3.728 20 0 EHADLO Cc1ccc(/C=C/C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000264149854 1138429403 /nfs/dbraw/zinc/42/94/03/1138429403.db2.gz AFMNNZVHSWPBLJ-ROJDOSBLSA-N 1 2 340.423 3.633 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264220827 1138446454 /nfs/dbraw/zinc/44/64/54/1138446454.db2.gz JCANYWIWHXPONX-VQIMIIECSA-N 1 2 345.487 3.732 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264220825 1138446642 /nfs/dbraw/zinc/44/66/42/1138446642.db2.gz JCANYWIWHXPONX-QFBILLFUSA-N 1 2 345.487 3.732 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000264225891 1138448171 /nfs/dbraw/zinc/44/81/71/1138448171.db2.gz HSCNHEJBGJJHAQ-MRXNPFEDSA-N 1 2 340.452 3.577 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264230795 1138449276 /nfs/dbraw/zinc/44/92/76/1138449276.db2.gz LBHZNIJVSWIVPB-HOTGVXAUSA-N 1 2 333.476 3.732 20 0 EHADLO C[C@H]1C[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[C@@H](C)C1 ZINC000337129621 1138473830 /nfs/dbraw/zinc/47/38/30/1138473830.db2.gz AQCKUGZFTLCLIV-XDNAFOTISA-N 1 2 343.515 3.998 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000131007538 1138489676 /nfs/dbraw/zinc/48/96/76/1138489676.db2.gz RSRSHGAZHAEQLT-ZWKOTPCHSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000337190267 1138490146 /nfs/dbraw/zinc/49/01/46/1138490146.db2.gz SIKGEBJRIIZFNH-CQSZACIVSA-N 1 2 333.382 3.736 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000337192450 1138491258 /nfs/dbraw/zinc/49/12/58/1138491258.db2.gz UALRVAPJSCVKAA-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000337192450 1138491260 /nfs/dbraw/zinc/49/12/60/1138491260.db2.gz UALRVAPJSCVKAA-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(C)cs1 ZINC000264369421 1138491583 /nfs/dbraw/zinc/49/15/83/1138491583.db2.gz LGVHILWJXPGPAP-GXTWGEPZSA-N 1 2 347.484 3.911 20 0 EHADLO COc1cccc(C2(F)CC[NH+](Cc3nnc(C(C)C)o3)CC2)c1 ZINC000337241177 1138505009 /nfs/dbraw/zinc/50/50/09/1138505009.db2.gz FPRCEFSMEXYJGY-UHFFFAOYSA-N 1 2 333.407 3.662 20 0 EHADLO Cc1cccc(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000337246939 1138507123 /nfs/dbraw/zinc/50/71/23/1138507123.db2.gz JYGQQHZGYBZBDZ-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)c2cccc3nc[nH]c32)ccc1Cl ZINC000337253451 1138509771 /nfs/dbraw/zinc/50/97/71/1138509771.db2.gz PJRYVFBJVGYPBP-UHFFFAOYSA-N 1 2 328.803 3.530 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2cccs2)s1 ZINC000264462648 1138524849 /nfs/dbraw/zinc/52/48/49/1138524849.db2.gz VNSFAZHHAHKSOM-JQWIXIFHSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2cccs2)s1 ZINC000264462648 1138524853 /nfs/dbraw/zinc/52/48/53/1138524853.db2.gz VNSFAZHHAHKSOM-JQWIXIFHSA-N 1 2 337.514 3.692 20 0 EHADLO C[N@H+](CCc1nccs1)Cc1c(F)ccc(Br)c1F ZINC000337308122 1138526877 /nfs/dbraw/zinc/52/68/77/1138526877.db2.gz XNVYQVNNCASSPI-UHFFFAOYSA-N 1 2 347.228 3.858 20 0 EHADLO C[N@@H+](CCc1nccs1)Cc1c(F)ccc(Br)c1F ZINC000337308122 1138526879 /nfs/dbraw/zinc/52/68/79/1138526879.db2.gz XNVYQVNNCASSPI-UHFFFAOYSA-N 1 2 347.228 3.858 20 0 EHADLO COc1c(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c(C)nn1C ZINC000337342348 1138538976 /nfs/dbraw/zinc/53/89/76/1138538976.db2.gz IPFWINANZHXRBS-ZDUSSCGKSA-N 1 2 342.468 3.711 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)nn1C ZINC000337511521 1138590824 /nfs/dbraw/zinc/59/08/24/1138590824.db2.gz JCQOMQCBCKKBMN-LBPRGKRZSA-N 1 2 327.350 3.520 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337565782 1138607189 /nfs/dbraw/zinc/60/71/89/1138607189.db2.gz OIIXAWJIYFILLV-GOSISDBHSA-N 1 2 331.419 3.810 20 0 EHADLO CC(C)OCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264702740 1138610980 /nfs/dbraw/zinc/61/09/80/1138610980.db2.gz HHORTIJCGQQURN-MRXNPFEDSA-N 1 2 342.443 3.746 20 0 EHADLO Cc1ccc2cccc(C(=O)NCCCCNc3cccc[nH+]3)c2n1 ZINC000132971035 1138613866 /nfs/dbraw/zinc/61/38/66/1138613866.db2.gz KTTOGPORQUDOSQ-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO CC(C)(C)C1CCC(CC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)CC1 ZINC000337611927 1138620779 /nfs/dbraw/zinc/62/07/79/1138620779.db2.gz ZBHJMLTXVWDKCA-KVZIAJEVSA-N 1 2 343.515 3.797 20 0 EHADLO C[N@@H+](CC(=O)c1c[nH]c2ccccc12)C[C@@H]1OCCc2ccccc21 ZINC000337636124 1138628800 /nfs/dbraw/zinc/62/88/00/1138628800.db2.gz BXJAPXFSXGKKBG-NRFANRHFSA-N 1 2 334.419 3.596 20 0 EHADLO C[N@H+](CC(=O)c1c[nH]c2ccccc12)C[C@@H]1OCCc2ccccc21 ZINC000337636124 1138628802 /nfs/dbraw/zinc/62/88/02/1138628802.db2.gz BXJAPXFSXGKKBG-NRFANRHFSA-N 1 2 334.419 3.596 20 0 EHADLO CC(C)(C)C1CCC(CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CC1 ZINC000337640804 1138630428 /nfs/dbraw/zinc/63/04/28/1138630428.db2.gz GEEPOMDHKLRIPI-KVZIAJEVSA-N 1 2 343.515 3.797 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337643567 1138631163 /nfs/dbraw/zinc/63/11/63/1138631163.db2.gz HVIWFMBRAOIPPV-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2noc(C3CCOCC3)n2)c1 ZINC000133652411 1138649142 /nfs/dbraw/zinc/64/91/42/1138649142.db2.gz GYTSFCZNSADIMT-GOSISDBHSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2noc(C3CCOCC3)n2)c1 ZINC000133652411 1138649145 /nfs/dbraw/zinc/64/91/45/1138649145.db2.gz GYTSFCZNSADIMT-GOSISDBHSA-N 1 2 341.455 3.918 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000337936436 1138701682 /nfs/dbraw/zinc/70/16/82/1138701682.db2.gz BUVQGQVLDNMMCV-GWCFXTLKSA-N 1 2 334.210 3.638 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccncc1F ZINC000337946568 1138704247 /nfs/dbraw/zinc/70/42/47/1138704247.db2.gz ONQKKWRSXWCGLI-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CCC[N@H+](C)Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000338064813 1138738924 /nfs/dbraw/zinc/73/89/24/1138738924.db2.gz KWNBZRKFLIKHEN-ZDUSSCGKSA-N 1 2 331.313 3.989 20 0 EHADLO CCC[N@@H+](C)Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000338064813 1138738925 /nfs/dbraw/zinc/73/89/25/1138738925.db2.gz KWNBZRKFLIKHEN-ZDUSSCGKSA-N 1 2 331.313 3.989 20 0 EHADLO CC(C)CCO[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338116448 1138756314 /nfs/dbraw/zinc/75/63/14/1138756314.db2.gz GNAUPAKQWPLPPE-CYBMUJFWSA-N 1 2 335.835 3.915 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(Br)cn2)n1 ZINC000265203892 1138765238 /nfs/dbraw/zinc/76/52/38/1138765238.db2.gz BPZWZUDIDWHVOT-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)s1 ZINC000338231945 1138795476 /nfs/dbraw/zinc/79/54/76/1138795476.db2.gz DJKNBWSFPKVXBH-AWEZNQCLSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)n1 ZINC000338251185 1138800752 /nfs/dbraw/zinc/80/07/52/1138800752.db2.gz KUMJQBVFNJPAKU-UHFFFAOYSA-N 1 2 341.440 3.527 20 0 EHADLO O=C(c1ccccc1Cl)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338254782 1138802533 /nfs/dbraw/zinc/80/25/33/1138802533.db2.gz FDPTWRCROJEJQJ-MRXNPFEDSA-N 1 2 335.234 3.780 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCCOc2c(C)cccc2C)[nH]1 ZINC000338315935 1138830279 /nfs/dbraw/zinc/83/02/79/1138830279.db2.gz DTDLUBYIPRGUHI-QGZVFWFLSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCCOc2c(C)cccc2C)[nH]1 ZINC000338315935 1138830286 /nfs/dbraw/zinc/83/02/86/1138830286.db2.gz DTDLUBYIPRGUHI-QGZVFWFLSA-N 1 2 328.460 3.726 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000265359848 1138830977 /nfs/dbraw/zinc/83/09/77/1138830977.db2.gz LVPIOFXRQIJSIL-SZMVWBNQSA-N 1 2 325.456 3.946 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000137077783 1138832618 /nfs/dbraw/zinc/83/26/18/1138832618.db2.gz QFCQSHKWOIHPGS-OAHLLOKOSA-N 1 2 337.851 3.712 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000137077783 1138832626 /nfs/dbraw/zinc/83/26/26/1138832626.db2.gz QFCQSHKWOIHPGS-OAHLLOKOSA-N 1 2 337.851 3.712 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccs2)CC2CCC2)c(OC)c1 ZINC000338333391 1138837709 /nfs/dbraw/zinc/83/77/09/1138837709.db2.gz LKJDCCWBUFPIKJ-UHFFFAOYSA-N 1 2 332.469 3.963 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccs2)CC2CCC2)c(OC)c1 ZINC000338333391 1138837719 /nfs/dbraw/zinc/83/77/19/1138837719.db2.gz LKJDCCWBUFPIKJ-UHFFFAOYSA-N 1 2 332.469 3.963 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000338410070 1138900101 /nfs/dbraw/zinc/90/01/01/1138900101.db2.gz JIXSUDYUGCJIHK-SFHVURJKSA-N 1 2 344.455 3.686 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000338410070 1138900106 /nfs/dbraw/zinc/90/01/06/1138900106.db2.gz JIXSUDYUGCJIHK-SFHVURJKSA-N 1 2 344.455 3.686 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ncsc1C(F)(F)F ZINC000338410574 1138900282 /nfs/dbraw/zinc/90/02/82/1138900282.db2.gz KUDHVFQQCWLJSF-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)o1 ZINC000338412219 1138900955 /nfs/dbraw/zinc/90/09/55/1138900955.db2.gz QUZCNWIDMXKPTA-UHFFFAOYSA-N 1 2 346.446 3.986 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)o1 ZINC000338412219 1138900959 /nfs/dbraw/zinc/90/09/59/1138900959.db2.gz QUZCNWIDMXKPTA-UHFFFAOYSA-N 1 2 346.446 3.986 20 0 EHADLO Cc1c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)sc2cccc(F)c12 ZINC000153383529 1139134449 /nfs/dbraw/zinc/13/44/49/1139134449.db2.gz YZZGPKCJRFGJFP-LLVKDONJSA-N 1 2 331.416 3.611 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000153794916 1139151572 /nfs/dbraw/zinc/15/15/72/1139151572.db2.gz XEQWALIQAIEOAH-IRXDYDNUSA-N 1 2 343.471 3.535 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000153792885 1139151793 /nfs/dbraw/zinc/15/17/93/1139151793.db2.gz HSVFNTYYKCYXAP-ZHALLVOQSA-N 1 2 340.471 3.588 20 0 EHADLO Cc1nc(C2CCC2)sc1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000889225413 1139180782 /nfs/dbraw/zinc/18/07/82/1139180782.db2.gz RAKLXWOETRNSOC-UHFFFAOYSA-N 1 2 326.425 3.548 20 0 EHADLO Cc1cc(CNC(=O)NC(C)(C)c2ccc(F)cc2F)cc(C)[nH+]1 ZINC000889252567 1139183960 /nfs/dbraw/zinc/18/39/60/1139183960.db2.gz YIQYAKQFNCYSRN-UHFFFAOYSA-N 1 2 333.382 3.711 20 0 EHADLO C[C@@H](CC(=O)N(Cc1cccs1)Cc1ccncc1)n1cc[nH+]c1 ZINC000889487704 1139217299 /nfs/dbraw/zinc/21/72/99/1139217299.db2.gz XFNLOYMXFLEKIV-HNNXBMFYSA-N 1 2 340.452 3.520 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507319 1139223184 /nfs/dbraw/zinc/22/31/84/1139223184.db2.gz RXYLKPXSGFRFSA-DOMZBBRYSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507319 1139223188 /nfs/dbraw/zinc/22/31/88/1139223188.db2.gz RXYLKPXSGFRFSA-DOMZBBRYSA-N 1 2 349.887 3.638 20 0 EHADLO CCN(Cc1ccoc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889559739 1139234303 /nfs/dbraw/zinc/23/43/03/1139234303.db2.gz IBYOVCKQNJSSQP-QAQDUYKDSA-N 1 2 342.443 3.629 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC=CCCC1 ZINC000890044372 1139304583 /nfs/dbraw/zinc/30/45/83/1139304583.db2.gz CXRXJHZXMOIGEM-KBPBESRZSA-N 1 2 329.366 3.629 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC12CCC(CC1)CC2 ZINC000890247405 1139329960 /nfs/dbraw/zinc/32/99/60/1139329960.db2.gz WDTQYZUQRWQPLF-KGXSXCIVSA-N 1 2 338.455 3.646 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@@H]1C1CCC1 ZINC000890262588 1139334305 /nfs/dbraw/zinc/33/43/05/1139334305.db2.gz PAEFNIQSJGHLMN-RTBURBONSA-N 1 2 338.455 3.599 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449682 1139421301 /nfs/dbraw/zinc/42/13/01/1139421301.db2.gz RDZICUCOBPBMRZ-HIFRSBDPSA-N 1 2 347.484 3.735 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449682 1139421305 /nfs/dbraw/zinc/42/13/05/1139421305.db2.gz RDZICUCOBPBMRZ-HIFRSBDPSA-N 1 2 347.484 3.735 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000174632358 1139432652 /nfs/dbraw/zinc/43/26/52/1139432652.db2.gz QHEHVJVSMALEGJ-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000174632358 1139432654 /nfs/dbraw/zinc/43/26/54/1139432654.db2.gz QHEHVJVSMALEGJ-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 ZINC000175244025 1139474758 /nfs/dbraw/zinc/47/47/58/1139474758.db2.gz RILLRFYZWQWNNP-FZMZJTMJSA-N 1 2 335.860 3.561 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000176417569 1139556952 /nfs/dbraw/zinc/55/69/52/1139556952.db2.gz JVOIPLUYAFKPPY-ZDUSSCGKSA-N 1 2 335.407 3.979 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000176417569 1139556956 /nfs/dbraw/zinc/55/69/56/1139556956.db2.gz JVOIPLUYAFKPPY-ZDUSSCGKSA-N 1 2 335.407 3.979 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000177183661 1139602087 /nfs/dbraw/zinc/60/20/87/1139602087.db2.gz BPYNEKMJPZUMLH-HOTGVXAUSA-N 1 2 329.469 3.520 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000177183661 1139602092 /nfs/dbraw/zinc/60/20/92/1139602092.db2.gz BPYNEKMJPZUMLH-HOTGVXAUSA-N 1 2 329.469 3.520 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000177504378 1139623536 /nfs/dbraw/zinc/62/35/36/1139623536.db2.gz LGEWLHVRXGXAIS-XKGZKEIXSA-N 1 2 337.467 3.803 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000177951195 1139658078 /nfs/dbraw/zinc/65/80/78/1139658078.db2.gz MRGNOHCZRLTKAT-IBGZPJMESA-N 1 2 334.423 3.675 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179226911 1139744170 /nfs/dbraw/zinc/74/41/70/1139744170.db2.gz BQCLSDGHKMJFPN-SDNWHVSQSA-N 1 2 329.831 3.804 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2c(F)cccc2F)c1C ZINC000179655667 1139772289 /nfs/dbraw/zinc/77/22/89/1139772289.db2.gz VSJXQRGGOKSLMI-CYBMUJFWSA-N 1 2 348.393 3.747 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2cnccn2)c(OCCC)c1 ZINC000179658348 1139772575 /nfs/dbraw/zinc/77/25/75/1139772575.db2.gz JFQHRLJAOIMNDC-UHFFFAOYSA-N 1 2 329.444 3.686 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2cnccn2)c(OCCC)c1 ZINC000179658348 1139772582 /nfs/dbraw/zinc/77/25/82/1139772582.db2.gz JFQHRLJAOIMNDC-UHFFFAOYSA-N 1 2 329.444 3.686 20 0 EHADLO Clc1ccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000179707067 1139776138 /nfs/dbraw/zinc/77/61/38/1139776138.db2.gz LBQLHTNNNLCPGN-QGZVFWFLSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cccc4nccn43)CCO2)cc1 ZINC000179707067 1139776141 /nfs/dbraw/zinc/77/61/41/1139776141.db2.gz LBQLHTNNNLCPGN-QGZVFWFLSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cccc4nccn43)CCO2)cc1 ZINC000179707067 1139776145 /nfs/dbraw/zinc/77/61/45/1139776145.db2.gz LBQLHTNNNLCPGN-QGZVFWFLSA-N 1 2 327.815 3.561 20 0 EHADLO CC1(C)[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000179902270 1139791422 /nfs/dbraw/zinc/79/14/22/1139791422.db2.gz UMXASUOSSNHTTR-BZSNNMDCSA-N 1 2 332.513 3.855 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2oc3ccccc3c2C)C(C)C)n1 ZINC000180253098 1139821010 /nfs/dbraw/zinc/82/10/10/1139821010.db2.gz BAMPNGMNYUHYEI-QGZVFWFLSA-N 1 2 329.400 3.758 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)[nH]1 ZINC000180336597 1139827482 /nfs/dbraw/zinc/82/74/82/1139827482.db2.gz NBJDMMRTFPMNLE-UHFFFAOYSA-N 1 2 339.483 3.572 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCc3ccc(C(C)(C)C)cc3C2)[nH]1 ZINC000180336597 1139827488 /nfs/dbraw/zinc/82/74/88/1139827488.db2.gz NBJDMMRTFPMNLE-UHFFFAOYSA-N 1 2 339.483 3.572 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181287114 1139897844 /nfs/dbraw/zinc/89/78/44/1139897844.db2.gz HOYKLRBQYQYQOM-OLZOCXBDSA-N 1 2 344.415 3.561 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000181677108 1139924701 /nfs/dbraw/zinc/92/47/01/1139924701.db2.gz ZXAKLINROGROKQ-IBGZPJMESA-N 1 2 338.407 3.828 20 0 EHADLO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000182841766 1139996377 /nfs/dbraw/zinc/99/63/77/1139996377.db2.gz CKIYSNNJWIJQBK-UHFFFAOYSA-N 1 2 340.761 3.684 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cn(Cc3cccnc3)nn2)C(C)C)s1 ZINC000183017417 1140007841 /nfs/dbraw/zinc/00/78/41/1140007841.db2.gz VGCZMJPDCIVEBU-UHFFFAOYSA-N 1 2 341.484 3.502 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C(C)C)s1 ZINC000183017417 1140007843 /nfs/dbraw/zinc/00/78/43/1140007843.db2.gz VGCZMJPDCIVEBU-UHFFFAOYSA-N 1 2 341.484 3.502 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000183022429 1140007966 /nfs/dbraw/zinc/00/79/66/1140007966.db2.gz PDJMTCSZYYUWMH-ZJUUUORDSA-N 1 2 329.322 3.647 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000183022409 1140008173 /nfs/dbraw/zinc/00/81/73/1140008173.db2.gz PDJMTCSZYYUWMH-UWVGGRQHSA-N 1 2 329.322 3.647 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000183163074 1140017040 /nfs/dbraw/zinc/01/70/40/1140017040.db2.gz CUQUNDBOUFJHEG-PSLXWICFSA-N 1 2 331.485 3.838 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cnn1C ZINC000183429977 1140037811 /nfs/dbraw/zinc/03/78/11/1140037811.db2.gz HZMWOCVBRYUTSI-NWDGAFQWSA-N 1 2 343.406 3.638 20 0 EHADLO Cc1csc([C@H]([NH2+]Cc2cc(F)cc3c2OCOC3)C2CC2)n1 ZINC000183548184 1140045240 /nfs/dbraw/zinc/04/52/40/1140045240.db2.gz BGGAJVHXLHGJGD-OAHLLOKOSA-N 1 2 334.416 3.698 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c1 ZINC000183566003 1140046780 /nfs/dbraw/zinc/04/67/80/1140046780.db2.gz AHGMNOIQQBMYAX-HNNXBMFYSA-N 1 2 334.416 3.618 20 0 EHADLO Cc1ccnc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000184153396 1140083928 /nfs/dbraw/zinc/08/39/28/1140083928.db2.gz ZMUSNUAEHANRPL-PKOBYXMFSA-N 1 2 347.422 3.637 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccco1 ZINC000184623775 1140112269 /nfs/dbraw/zinc/11/22/69/1140112269.db2.gz YCFUWQWPLXUCSV-CYBMUJFWSA-N 1 2 343.210 3.502 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cs1 ZINC000184687532 1140115395 /nfs/dbraw/zinc/11/53/95/1140115395.db2.gz GPAYQHMBGCATQT-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cs1 ZINC000184725185 1140117529 /nfs/dbraw/zinc/11/75/29/1140117529.db2.gz WZYHCIPISWLVQX-KGLIPLIRSA-N 1 2 331.485 3.622 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184728426 1140117619 /nfs/dbraw/zinc/11/76/19/1140117619.db2.gz TZEDFANLPNJXOX-KRWDZBQOSA-N 1 2 331.412 3.667 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc(C)o1 ZINC000184767036 1140119457 /nfs/dbraw/zinc/11/94/57/1140119457.db2.gz FDSLTMGJEOUAHP-QGZVFWFLSA-N 1 2 341.407 3.789 20 0 EHADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000185227812 1140140484 /nfs/dbraw/zinc/14/04/84/1140140484.db2.gz HXLLAQHQVUPDSY-AWEZNQCLSA-N 1 2 345.468 3.667 20 0 EHADLO C[C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185930478 1140177723 /nfs/dbraw/zinc/17/77/23/1140177723.db2.gz BNGUCRYAMZQEJJ-CVEARBPZSA-N 1 2 327.428 3.727 20 0 EHADLO O=C(C1CC[NH+](Cc2ccccc2OC(F)F)CC1)C(F)(F)F ZINC000186023349 1140182919 /nfs/dbraw/zinc/18/29/19/1140182919.db2.gz YGKZCDBWNPBXDY-UHFFFAOYSA-N 1 2 337.288 3.631 20 0 EHADLO COc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1Cl ZINC000186051618 1140184426 /nfs/dbraw/zinc/18/44/26/1140184426.db2.gz PFTWHMFRWYBGIX-UHFFFAOYSA-N 1 2 335.753 3.692 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000186152713 1140189080 /nfs/dbraw/zinc/18/90/80/1140189080.db2.gz GLPDPMLFHNRVEL-CYBMUJFWSA-N 1 2 343.452 3.802 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Cl ZINC000186429802 1140203896 /nfs/dbraw/zinc/20/38/96/1140203896.db2.gz SXKSWKCCJTXIJE-UHFFFAOYSA-N 1 2 338.835 3.942 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1Br ZINC000186539882 1140209317 /nfs/dbraw/zinc/20/93/17/1140209317.db2.gz DGFCGJIZVWISAV-QMTHXVAHSA-N 1 2 342.208 3.956 20 0 EHADLO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CCC2 ZINC000186827378 1140223389 /nfs/dbraw/zinc/22/33/89/1140223389.db2.gz JIHNBBCSRMULPL-AWEZNQCLSA-N 1 2 335.473 3.922 20 0 EHADLO C[N@H+](CCn1cccn1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187019521 1140233172 /nfs/dbraw/zinc/23/31/72/1140233172.db2.gz QEZNLZAYXXJWLY-UHFFFAOYSA-N 1 2 332.860 3.792 20 0 EHADLO C[N@@H+](CCn1cccn1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187019521 1140233177 /nfs/dbraw/zinc/23/31/77/1140233177.db2.gz QEZNLZAYXXJWLY-UHFFFAOYSA-N 1 2 332.860 3.792 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)CCCCc3ccccc3)[nH+]c12 ZINC000187082425 1140236779 /nfs/dbraw/zinc/23/67/79/1140236779.db2.gz JOFBBVRBZNXFQD-QHCPKHFHSA-N 1 2 326.465 3.914 20 0 EHADLO CC(C)(C)c1cnc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000187556344 1140261430 /nfs/dbraw/zinc/26/14/30/1140261430.db2.gz BMBQOOLCMHYADV-UHFFFAOYSA-N 1 2 338.411 3.729 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000188325745 1140291896 /nfs/dbraw/zinc/29/18/96/1140291896.db2.gz UHNJPSDYYGMBGL-OAHLLOKOSA-N 1 2 328.431 3.830 20 0 EHADLO C[C@H](Cc1ccccc1F)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000188325745 1140291901 /nfs/dbraw/zinc/29/19/01/1140291901.db2.gz UHNJPSDYYGMBGL-OAHLLOKOSA-N 1 2 328.431 3.830 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000188780383 1140308779 /nfs/dbraw/zinc/30/87/79/1140308779.db2.gz MYEMWZZQOWHEME-LJQANCHMSA-N 1 2 329.419 3.540 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000188990632 1140316067 /nfs/dbraw/zinc/31/60/67/1140316067.db2.gz UCVSIAZNRYXGAF-UHFFFAOYSA-N 1 2 347.875 3.505 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccsc1Cl ZINC000189314960 1140334704 /nfs/dbraw/zinc/33/47/04/1140334704.db2.gz GEUWLFODKMBOEW-UHFFFAOYSA-N 1 2 336.848 3.718 20 0 EHADLO O[C@@H](C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000189339784 1140336654 /nfs/dbraw/zinc/33/66/54/1140336654.db2.gz RWHDYTHPQDEXFU-CHWSQXEVSA-N 1 2 339.810 3.743 20 0 EHADLO O[C@@H](C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000189339784 1140336660 /nfs/dbraw/zinc/33/66/60/1140336660.db2.gz RWHDYTHPQDEXFU-CHWSQXEVSA-N 1 2 339.810 3.743 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)CCc1c[nH+]cn1C ZINC000189902029 1140370047 /nfs/dbraw/zinc/37/00/47/1140370047.db2.gz GOXADAJAMRTSEO-UHFFFAOYSA-N 1 2 331.485 3.941 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000192309225 1140522109 /nfs/dbraw/zinc/52/21/09/1140522109.db2.gz RXTXGOXBLOBSJJ-HNNXBMFYSA-N 1 2 348.516 3.560 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000194151534 1140600163 /nfs/dbraw/zinc/60/01/63/1140600163.db2.gz BDTSAHNNQMRCBG-GOSISDBHSA-N 1 2 329.469 3.880 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000194151534 1140600165 /nfs/dbraw/zinc/60/01/65/1140600165.db2.gz BDTSAHNNQMRCBG-GOSISDBHSA-N 1 2 329.469 3.880 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cs1 ZINC000266178686 1140651708 /nfs/dbraw/zinc/65/17/08/1140651708.db2.gz FKAHZFBDUQWSEU-JTQLQIEISA-N 1 2 328.384 3.742 20 0 EHADLO COCc1nc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cs1 ZINC000266247328 1140659573 /nfs/dbraw/zinc/65/95/73/1140659573.db2.gz ZIATXRKQGJPXOP-UHFFFAOYSA-N 1 2 332.469 3.901 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000266447460 1140688142 /nfs/dbraw/zinc/68/81/42/1140688142.db2.gz IKQNWTQKUZJCON-BBRMVZONSA-N 1 2 329.469 3.606 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000266478211 1140692378 /nfs/dbraw/zinc/69/23/78/1140692378.db2.gz HRPSKQCVFZLJLM-JKSUJKDBSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635843 1140710676 /nfs/dbraw/zinc/71/06/76/1140710676.db2.gz RRWVPINFFJTIOW-YOEHRIQHSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635843 1140710680 /nfs/dbraw/zinc/71/06/80/1140710680.db2.gz RRWVPINFFJTIOW-YOEHRIQHSA-N 1 2 328.435 3.727 20 0 EHADLO O=C(Nc1ccc(Br)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266949628 1140742266 /nfs/dbraw/zinc/74/22/66/1140742266.db2.gz GGGFLLQCWGSAKJ-UHFFFAOYSA-N 1 2 349.232 3.584 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000267042375 1140753061 /nfs/dbraw/zinc/75/30/61/1140753061.db2.gz HSFGJYCQHMEHJK-SUMWQHHRSA-N 1 2 347.256 3.979 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000267042375 1140753064 /nfs/dbraw/zinc/75/30/64/1140753064.db2.gz HSFGJYCQHMEHJK-SUMWQHHRSA-N 1 2 347.256 3.979 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(Br)cc2)cs1 ZINC000267619079 1140812120 /nfs/dbraw/zinc/81/21/20/1140812120.db2.gz KGEJEAPUXPIZFL-SNVBAGLBSA-N 1 2 341.274 3.903 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267662435 1140818210 /nfs/dbraw/zinc/81/82/10/1140818210.db2.gz KHTMTXBKDNYGAQ-DYESRHJHSA-N 1 2 345.446 3.950 20 0 EHADLO CCC[C@@H]1C[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000267724591 1140825920 /nfs/dbraw/zinc/82/59/20/1140825920.db2.gz MEFRDTCGPDDDMR-YYAJDYIMSA-N 1 2 345.487 3.606 20 0 EHADLO CCC[C@@H]1C[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000267724591 1140825929 /nfs/dbraw/zinc/82/59/29/1140825929.db2.gz MEFRDTCGPDDDMR-YYAJDYIMSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2nc3ccccc3n2C)nc(C2CC2)[nH+]1 ZINC000267892357 1140846806 /nfs/dbraw/zinc/84/68/06/1140846806.db2.gz UUPJBKIBBWDTGV-QGZVFWFLSA-N 1 2 333.439 3.891 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000268355133 1140925957 /nfs/dbraw/zinc/92/59/57/1140925957.db2.gz FNVIRNNGNZXUOC-FUHWJXTLSA-N 1 2 325.456 3.562 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000268866372 1141012702 /nfs/dbraw/zinc/01/27/02/1141012702.db2.gz FNAIFNOHUJIAOM-QWHCGFSZSA-N 1 2 329.469 3.990 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nc(C)no3)s2)cc1 ZINC000268897934 1141020207 /nfs/dbraw/zinc/02/02/07/1141020207.db2.gz LQLRELSJTJQIQH-SNVBAGLBSA-N 1 2 344.440 3.669 20 0 EHADLO Cc1cc(F)ccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269373049 1141100334 /nfs/dbraw/zinc/10/03/34/1141100334.db2.gz MRHVZHNRFZAJEC-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269753787 1141141468 /nfs/dbraw/zinc/14/14/68/1141141468.db2.gz SGTBZRQGJIHIAG-LBPRGKRZSA-N 1 2 342.830 3.873 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000270036444 1141171021 /nfs/dbraw/zinc/17/10/21/1141171021.db2.gz IZLGBASKTUSBIA-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270168860 1141187304 /nfs/dbraw/zinc/18/73/04/1141187304.db2.gz BITYCCSBBBSTJD-HNNXBMFYSA-N 1 2 336.439 3.866 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c[nH]1 ZINC000271043860 1141299219 /nfs/dbraw/zinc/29/92/19/1141299219.db2.gz PQBGRGMQJUQPLE-NSHDSACASA-N 1 2 329.425 3.604 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c[nH]1 ZINC000271043860 1141299221 /nfs/dbraw/zinc/29/92/21/1141299221.db2.gz PQBGRGMQJUQPLE-NSHDSACASA-N 1 2 329.425 3.604 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cscn1 ZINC000271064173 1141303110 /nfs/dbraw/zinc/30/31/10/1141303110.db2.gz CSVXEPFDXWBPAG-AAEUAGOBSA-N 1 2 335.860 3.643 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000271121583 1141310319 /nfs/dbraw/zinc/31/03/19/1141310319.db2.gz KEXSUVAGCLBAPM-GOSISDBHSA-N 1 2 337.471 3.862 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000271121583 1141310325 /nfs/dbraw/zinc/31/03/25/1141310325.db2.gz KEXSUVAGCLBAPM-GOSISDBHSA-N 1 2 337.471 3.862 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(CSC(F)F)o3)C2)n[nH]1 ZINC000271275080 1141336945 /nfs/dbraw/zinc/33/69/45/1141336945.db2.gz KPZNGWMXJPWYLV-LLVKDONJSA-N 1 2 342.415 3.542 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)n[nH]1 ZINC000271275080 1141336951 /nfs/dbraw/zinc/33/69/51/1141336951.db2.gz KPZNGWMXJPWYLV-LLVKDONJSA-N 1 2 342.415 3.542 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000271275159 1141337664 /nfs/dbraw/zinc/33/76/64/1141337664.db2.gz KSVJHBRYYXGFKO-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000271275159 1141337671 /nfs/dbraw/zinc/33/76/71/1141337671.db2.gz KSVJHBRYYXGFKO-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)n1 ZINC000271275159 1141337678 /nfs/dbraw/zinc/33/76/78/1141337678.db2.gz KSVJHBRYYXGFKO-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)n1 ZINC000271275159 1141337684 /nfs/dbraw/zinc/33/76/84/1141337684.db2.gz KSVJHBRYYXGFKO-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cs1 ZINC000271418022 1141361992 /nfs/dbraw/zinc/36/19/92/1141361992.db2.gz BNMJTBGYSLATBL-ZYHUDNBSSA-N 1 2 338.502 3.612 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cs1 ZINC000271459309 1141372708 /nfs/dbraw/zinc/37/27/08/1141372708.db2.gz FYANAMLVTHBJPA-ZANVPECISA-N 1 2 341.274 3.598 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)[nH]1 ZINC000271462871 1141373793 /nfs/dbraw/zinc/37/37/93/1141373793.db2.gz HQXXBXUOQRPUQR-BDAKNGLRSA-N 1 2 341.228 3.681 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000271614662 1141407294 /nfs/dbraw/zinc/40/72/94/1141407294.db2.gz CAIKWRCYOPSPPO-PBHICJAKSA-N 1 2 348.454 3.999 20 0 EHADLO CSc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000271672666 1141416066 /nfs/dbraw/zinc/41/60/66/1141416066.db2.gz GXZXOOILHMSJDN-UHFFFAOYSA-N 1 2 330.457 3.782 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000274215034 1141486615 /nfs/dbraw/zinc/48/66/15/1141486615.db2.gz NJXDWBPZDYFFSM-VXGBXAGGSA-N 1 2 347.488 3.788 20 0 EHADLO Clc1ccc(-n2ccc(CN3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000274338733 1141498994 /nfs/dbraw/zinc/49/89/94/1141498994.db2.gz NVIZYTZBAWSMFG-CQSZACIVSA-N 1 2 341.846 3.628 20 0 EHADLO Cc1cn2cc(NC(=O)CCc3nc4ccccc4s3)ccc2[nH+]1 ZINC000339124665 1141503675 /nfs/dbraw/zinc/50/36/75/1141503675.db2.gz JUAWPGPJEYATJC-UHFFFAOYSA-N 1 2 336.420 3.824 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000274389547 1141512609 /nfs/dbraw/zinc/51/26/09/1141512609.db2.gz IBMWNAKAJXVFDS-GFCCVEGCSA-N 1 2 340.448 3.530 20 0 EHADLO CCn1nc(C[NH2+]C2(c3nc(C)cs3)CCC2)c2ccccc21 ZINC000274421529 1141523703 /nfs/dbraw/zinc/52/37/03/1141523703.db2.gz KHEFZBDQQQAIFP-UHFFFAOYSA-N 1 2 326.469 3.990 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CCCC1 ZINC000348633402 1141558253 /nfs/dbraw/zinc/55/82/53/1141558253.db2.gz JYQGDSDPBXMKMF-INIZCTEOSA-N 1 2 336.838 3.843 20 0 EHADLO CCc1oc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000348805988 1141583412 /nfs/dbraw/zinc/58/34/12/1141583412.db2.gz FIDITNDNFWQIKT-OAHLLOKOSA-N 1 2 342.439 3.796 20 0 EHADLO FC(F)(F)c1ncc(C[N@@H+]2CCC=C(c3ccncc3)C2)s1 ZINC000348837445 1141592697 /nfs/dbraw/zinc/59/26/97/1141592697.db2.gz IFKSPBCPCMYYMS-UHFFFAOYSA-N 1 2 325.359 3.846 20 0 EHADLO FC(F)(F)c1ncc(C[N@H+]2CCC=C(c3ccncc3)C2)s1 ZINC000348837445 1141592701 /nfs/dbraw/zinc/59/27/01/1141592701.db2.gz IFKSPBCPCMYYMS-UHFFFAOYSA-N 1 2 325.359 3.846 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2ncnn2C(C)(C)C)C(C)C)cc1 ZINC000283343721 1141603653 /nfs/dbraw/zinc/60/36/53/1141603653.db2.gz AWTOHTQWKKCCJD-UHFFFAOYSA-N 1 2 330.476 3.842 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2ncnn2C(C)(C)C)C(C)C)cc1 ZINC000283343721 1141603654 /nfs/dbraw/zinc/60/36/54/1141603654.db2.gz AWTOHTQWKKCCJD-UHFFFAOYSA-N 1 2 330.476 3.842 20 0 EHADLO Cc1ccc(SCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000349029521 1141624681 /nfs/dbraw/zinc/62/46/81/1141624681.db2.gz CNMQEDZSSDIFMQ-UHFFFAOYSA-N 1 2 343.496 3.587 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000349044051 1141627304 /nfs/dbraw/zinc/62/73/04/1141627304.db2.gz AVYVSOZZASSXTR-MJGOQNOKSA-N 1 2 345.446 3.966 20 0 EHADLO Nc1cccc2c1CC[N@H+](Cc1cc(F)ccc1Br)C2 ZINC000038032912 202090660 /nfs/dbraw/zinc/09/06/60/202090660.db2.gz YNEAVGDQLDFZRV-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1Br)C2 ZINC000038032912 202090663 /nfs/dbraw/zinc/09/06/63/202090663.db2.gz YNEAVGDQLDFZRV-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023004961 202096465 /nfs/dbraw/zinc/09/64/65/202096465.db2.gz GOMJKKSVHHOJOC-CQSZACIVSA-N 1 2 346.833 3.998 20 0 EHADLO O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033294311 202256498 /nfs/dbraw/zinc/25/64/98/202256498.db2.gz ZZAJWCKFNHIZKU-YVMONPNESA-N 1 2 339.414 3.689 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000197263344 241034528 /nfs/dbraw/zinc/03/45/28/241034528.db2.gz JUSDHZJXSNQIQW-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCc1ccc(F)cc1 ZINC000041979753 527167749 /nfs/dbraw/zinc/16/77/49/527167749.db2.gz AGRPSVYSYDUJBN-UHFFFAOYSA-N 1 2 339.414 3.623 20 0 EHADLO C(c1nc(C2CCCC2)no1)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328631929 564137065 /nfs/dbraw/zinc/13/70/65/564137065.db2.gz KYQXASYKGCJMOH-INIZCTEOSA-N 1 2 341.459 3.666 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(OC)c2)n1 ZINC000282129150 564146142 /nfs/dbraw/zinc/14/61/42/564146142.db2.gz JZLGNUWLSQHKHA-ICSRJNTNSA-N 1 2 343.471 3.561 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(OC)c2)n1 ZINC000282129150 564146143 /nfs/dbraw/zinc/14/61/43/564146143.db2.gz JZLGNUWLSQHKHA-ICSRJNTNSA-N 1 2 343.471 3.561 20 0 EHADLO CC(C)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833499082 605066271 /nfs/dbraw/zinc/06/62/71/605066271.db2.gz IESHSXXLBNYQRR-OAHLLOKOSA-N 1 2 345.270 3.582 20 0 EHADLO O=C([O-])Nc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000834269517 605999857 /nfs/dbraw/zinc/99/98/57/605999857.db2.gz WWUXMPAJQMUCDB-UHFFFAOYSA-N 1 2 342.443 3.665 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(F)cc1F ZINC000819899335 606951403 /nfs/dbraw/zinc/95/14/03/606951403.db2.gz RZEGYJZJWSKFFF-OAHLLOKOSA-N 1 2 347.369 3.615 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824770838 608643786 /nfs/dbraw/zinc/64/37/86/608643786.db2.gz NBWPFVWDKYVBEA-NSHDSACASA-N 1 2 345.809 3.852 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824770838 608643789 /nfs/dbraw/zinc/64/37/89/608643789.db2.gz NBWPFVWDKYVBEA-NSHDSACASA-N 1 2 345.809 3.852 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826268990 609160419 /nfs/dbraw/zinc/16/04/19/609160419.db2.gz WUJQFMCGNLFIBG-GFCCVEGCSA-N 1 2 340.406 3.553 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000182440088 1032059383 /nfs/dbraw/zinc/05/93/83/1032059383.db2.gz SCEYAVXRGPJYHI-KGLIPLIRSA-N 1 2 338.411 3.690 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 ZINC000183205557 1125475407 /nfs/dbraw/zinc/47/54/07/1125475407.db2.gz ZPMGPZGEUGFPLZ-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 ZINC000183205557 1125475410 /nfs/dbraw/zinc/47/54/10/1125475410.db2.gz ZPMGPZGEUGFPLZ-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO C[C@H](C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037016 1032082511 /nfs/dbraw/zinc/08/25/11/1032082511.db2.gz WULBLSOUFKMPBN-BFUOFWGJSA-N 1 2 333.378 3.847 20 0 EHADLO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037016 1032082528 /nfs/dbraw/zinc/08/25/28/1032082528.db2.gz WULBLSOUFKMPBN-BFUOFWGJSA-N 1 2 333.378 3.847 20 0 EHADLO CCCCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000046973147 1014161816 /nfs/dbraw/zinc/16/18/16/1014161816.db2.gz ZRMRRQVTGQOIQQ-UHFFFAOYSA-N 1 2 331.485 3.667 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000090232861 1014235611 /nfs/dbraw/zinc/23/56/11/1014235611.db2.gz TULHCHBOFIFKEG-IBGZPJMESA-N 1 2 334.423 3.579 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339379341 1014298904 /nfs/dbraw/zinc/29/89/04/1014298904.db2.gz SWIZQIJKZYHDMI-GXTWGEPZSA-N 1 2 347.459 3.716 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339379341 1014298910 /nfs/dbraw/zinc/29/89/10/1014298910.db2.gz SWIZQIJKZYHDMI-GXTWGEPZSA-N 1 2 347.459 3.716 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000654759558 1014357626 /nfs/dbraw/zinc/35/76/26/1014357626.db2.gz CAHGFJMEBGVOMB-IERDGZPVSA-N 1 2 345.446 3.763 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000654759558 1014357637 /nfs/dbraw/zinc/35/76/37/1014357637.db2.gz CAHGFJMEBGVOMB-IERDGZPVSA-N 1 2 345.446 3.763 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339402770 1014360092 /nfs/dbraw/zinc/36/00/92/1014360092.db2.gz BKRNSESZBBKXOM-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)Cc2cccc3ccccc32)n1 ZINC001167049417 1014389639 /nfs/dbraw/zinc/38/96/39/1014389639.db2.gz OMGSXDHXSMBMGZ-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)Cc2cccc3ccccc32)n1 ZINC001167049417 1014389653 /nfs/dbraw/zinc/38/96/53/1014389653.db2.gz OMGSXDHXSMBMGZ-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000153550793 1014397654 /nfs/dbraw/zinc/39/76/54/1014397654.db2.gz NFADEDPPHKUXCV-LBPRGKRZSA-N 1 2 336.819 3.791 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000153550793 1014397662 /nfs/dbraw/zinc/39/76/62/1014397662.db2.gz NFADEDPPHKUXCV-LBPRGKRZSA-N 1 2 336.819 3.791 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)ccn12 ZINC000654857500 1014493805 /nfs/dbraw/zinc/49/38/05/1014493805.db2.gz WFYWMZCBUOZZBF-KBPBESRZSA-N 1 2 339.361 3.741 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000339471143 1014538125 /nfs/dbraw/zinc/53/81/25/1014538125.db2.gz ZSJXQALTXJMDTO-HSALFYBXSA-N 1 2 345.446 3.693 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000654893697 1014560333 /nfs/dbraw/zinc/56/03/33/1014560333.db2.gz OWQHLFNSANPTCT-XHDPSFHLSA-N 1 2 337.345 3.683 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000654893696 1014560427 /nfs/dbraw/zinc/56/04/27/1014560427.db2.gz OWQHLFNSANPTCT-NHYWBVRUSA-N 1 2 337.345 3.683 20 0 EHADLO C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000510077612 1014755873 /nfs/dbraw/zinc/75/58/73/1014755873.db2.gz DPBJZRMZGRQWAJ-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000510077612 1014755879 /nfs/dbraw/zinc/75/58/79/1014755879.db2.gz DPBJZRMZGRQWAJ-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000654996471 1014764806 /nfs/dbraw/zinc/76/48/06/1014764806.db2.gz VYCYDLLQJSSQKV-AUUYWEPGSA-N 1 2 349.434 3.875 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(O)c(C(C)C)c1 ZINC000547659176 1014785354 /nfs/dbraw/zinc/78/53/54/1014785354.db2.gz WHDYEFCALYCPOI-HNNXBMFYSA-N 1 2 341.455 3.580 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000650107202 1014856357 /nfs/dbraw/zinc/85/63/57/1014856357.db2.gz MQSBJIGJQYARIM-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000650107202 1014856374 /nfs/dbraw/zinc/85/63/74/1014856374.db2.gz MQSBJIGJQYARIM-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)ccn12 ZINC000655045666 1014863659 /nfs/dbraw/zinc/86/36/59/1014863659.db2.gz OHRJPUOWLPWFLD-JCNLHEQBSA-N 1 2 339.826 3.972 20 0 EHADLO CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538016322 1032104315 /nfs/dbraw/zinc/10/43/15/1032104315.db2.gz ZUUQGFOVLLINBE-KNXALSJPSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538016322 1032104318 /nfs/dbraw/zinc/10/43/18/1032104318.db2.gz ZUUQGFOVLLINBE-KNXALSJPSA-N 1 2 341.858 3.712 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)NCCc3cn(C)c[nH+]3)sc2c1 ZINC000655106572 1015009878 /nfs/dbraw/zinc/00/98/78/1015009878.db2.gz GPWAULLMMREOQR-UHFFFAOYSA-N 1 2 333.844 3.569 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000547688177 1015197219 /nfs/dbraw/zinc/19/72/19/1015197219.db2.gz ATXSJQZQVDVZKZ-ZIFCJYIRSA-N 1 2 347.503 3.609 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000471168876 1015221881 /nfs/dbraw/zinc/22/18/81/1015221881.db2.gz LNSNWPQAXFFKSU-INIZCTEOSA-N 1 2 330.815 3.734 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000471168876 1015221890 /nfs/dbraw/zinc/22/18/90/1015221890.db2.gz LNSNWPQAXFFKSU-INIZCTEOSA-N 1 2 330.815 3.734 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C/C2CCCC2)c1)[NH+]1CCOCC1 ZINC000843544122 1015239434 /nfs/dbraw/zinc/23/94/34/1015239434.db2.gz JCTGSTIIZWRTLH-SCOAYWHSSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3[C@H](C)c4ccc(F)cc4C[C@@H]3C)ccn12 ZINC001266303142 1015358816 /nfs/dbraw/zinc/35/88/16/1015358816.db2.gz INCWPMSQKYEZJZ-GXTWGEPZSA-N 1 2 337.398 3.930 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cnn3ccccc13)[C@@H]2c1ccccc1 ZINC000179418045 1015381717 /nfs/dbraw/zinc/38/17/17/1015381717.db2.gz RDPGSUPKDAZICN-OAQYLSRUSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cnn3ccccc13)[C@@H]2c1ccccc1 ZINC000179418045 1015381723 /nfs/dbraw/zinc/38/17/23/1015381723.db2.gz RDPGSUPKDAZICN-OAQYLSRUSA-N 1 2 328.419 3.741 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H](C)CC2)c(=S)o1 ZINC000748084915 1015403485 /nfs/dbraw/zinc/40/34/85/1015403485.db2.gz ZANPVYRRUGRTPD-CYBMUJFWSA-N 1 2 333.457 3.961 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H](C)CC2)c(=S)o1 ZINC000748084915 1015403494 /nfs/dbraw/zinc/40/34/94/1015403494.db2.gz ZANPVYRRUGRTPD-CYBMUJFWSA-N 1 2 333.457 3.961 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Cl)cn1 ZINC000274813342 1015408683 /nfs/dbraw/zinc/40/86/83/1015408683.db2.gz YKPYXNJWBQLVTD-JTQLQIEISA-N 1 2 327.762 3.625 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000339631830 1015432030 /nfs/dbraw/zinc/43/20/30/1015432030.db2.gz XTXPUJAQZKWRDJ-HUUCEWRRSA-N 1 2 342.443 3.619 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000339661963 1015477973 /nfs/dbraw/zinc/47/79/73/1015477973.db2.gz ZKFOTUVOKIABPS-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000339661963 1015477980 /nfs/dbraw/zinc/47/79/80/1015477980.db2.gz ZKFOTUVOKIABPS-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179747554 1015569890 /nfs/dbraw/zinc/56/98/90/1015569890.db2.gz CZNYMYQLXBDGCJ-ONEGZZNKSA-N 1 2 345.874 3.776 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179747554 1015569900 /nfs/dbraw/zinc/56/99/00/1015569900.db2.gz CZNYMYQLXBDGCJ-ONEGZZNKSA-N 1 2 345.874 3.776 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000182688942 1032120676 /nfs/dbraw/zinc/12/06/76/1032120676.db2.gz XKUGEIPJXDWQAT-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000182688942 1032120685 /nfs/dbraw/zinc/12/06/85/1032120685.db2.gz XKUGEIPJXDWQAT-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO O=C1[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)CCCN1c1cccc(F)c1 ZINC000339824094 1015704256 /nfs/dbraw/zinc/70/42/56/1015704256.db2.gz DTMCGZNAGMZRCL-OAHLLOKOSA-N 1 2 342.336 3.516 20 0 EHADLO O=C1[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)CCCN1c1cccc(F)c1 ZINC000339824094 1015704263 /nfs/dbraw/zinc/70/42/63/1015704263.db2.gz DTMCGZNAGMZRCL-OAHLLOKOSA-N 1 2 342.336 3.516 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339832269 1015721102 /nfs/dbraw/zinc/72/11/02/1015721102.db2.gz XGOIRUVHVIXJEF-LBPRGKRZSA-N 1 2 349.356 3.756 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339832269 1015721108 /nfs/dbraw/zinc/72/11/08/1015721108.db2.gz XGOIRUVHVIXJEF-LBPRGKRZSA-N 1 2 349.356 3.756 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000339846653 1015740449 /nfs/dbraw/zinc/74/04/49/1015740449.db2.gz MQGSHCMTSUNTOM-INIZCTEOSA-N 1 2 335.407 3.591 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@H](C(C)C)CC3)[nH+]c12 ZINC000546719201 1032126482 /nfs/dbraw/zinc/12/64/82/1032126482.db2.gz XGHKAYAYFCFTAY-IRXDYDNUSA-N 1 2 327.472 3.906 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)c(C)c1 ZINC000180714310 1016029074 /nfs/dbraw/zinc/02/90/74/1016029074.db2.gz ZTRICLADZOTLHX-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)c(C)c1 ZINC000180714310 1016029082 /nfs/dbraw/zinc/02/90/82/1016029082.db2.gz ZTRICLADZOTLHX-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC001167108770 1016050390 /nfs/dbraw/zinc/05/03/90/1016050390.db2.gz IDLIEQZBFRYMAE-OAHLLOKOSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC001167108770 1016050401 /nfs/dbraw/zinc/05/04/01/1016050401.db2.gz IDLIEQZBFRYMAE-OAHLLOKOSA-N 1 2 326.444 3.673 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc3c2OCCCO3)cs1 ZINC000275156048 1016098053 /nfs/dbraw/zinc/09/80/53/1016098053.db2.gz VRGYJQUVIZPGQD-MRXNPFEDSA-N 1 2 330.453 3.950 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc3c2OCCCO3)cs1 ZINC000275156048 1016098060 /nfs/dbraw/zinc/09/80/60/1016098060.db2.gz VRGYJQUVIZPGQD-MRXNPFEDSA-N 1 2 330.453 3.950 20 0 EHADLO Cc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000109582171 1016170802 /nfs/dbraw/zinc/17/08/02/1016170802.db2.gz SVHLKJCZFVLLLW-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO Clc1ccc2c(c1)nc(Cl)nc2N1CCC(n2cc[nH+]c2)CC1 ZINC001167125648 1016205578 /nfs/dbraw/zinc/20/55/78/1016205578.db2.gz BRBDVUIHQKEDJF-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCCc1csc2ccccc12 ZINC000155192074 1016280916 /nfs/dbraw/zinc/28/09/16/1016280916.db2.gz YFNDFSBTCPHKJT-UHFFFAOYSA-N 1 2 341.480 3.969 20 0 EHADLO CC1(C)CCC(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000340113088 1016336841 /nfs/dbraw/zinc/33/68/41/1016336841.db2.gz VOEXUSQCWRNAPZ-UHFFFAOYSA-N 1 2 344.503 3.697 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC(C)C)c1 ZINC000528363729 1032146918 /nfs/dbraw/zinc/14/69/18/1032146918.db2.gz JYVFMKKMGKDQFA-UHFFFAOYSA-N 1 2 335.469 3.650 20 0 EHADLO Cc1cccc(C[N@H+](Cc2coc(S(C)(=O)=O)c2)CC(C)C)c1 ZINC000528363729 1032146919 /nfs/dbraw/zinc/14/69/19/1032146919.db2.gz JYVFMKKMGKDQFA-UHFFFAOYSA-N 1 2 335.469 3.650 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000120653629 1016361401 /nfs/dbraw/zinc/36/14/01/1016361401.db2.gz QIXKUDREXHUNTM-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO c1csc([C@H]([NH2+]CCCn2ccc3ccccc32)c2nnc[nH]2)c1 ZINC000340179277 1016607459 /nfs/dbraw/zinc/60/74/59/1016607459.db2.gz YHSIWJQOSGWKAV-KRWDZBQOSA-N 1 2 337.452 3.590 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cs1 ZINC000340189962 1016655799 /nfs/dbraw/zinc/65/57/99/1016655799.db2.gz APYZDIWDLKXBLA-OAHLLOKOSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cs1 ZINC000340189962 1016655810 /nfs/dbraw/zinc/65/58/10/1016655810.db2.gz APYZDIWDLKXBLA-OAHLLOKOSA-N 1 2 338.860 3.596 20 0 EHADLO CC(C)c1cc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)nc(C(C)C)[nH+]1 ZINC000275416043 1016725977 /nfs/dbraw/zinc/72/59/77/1016725977.db2.gz DHZWMUFSVOEBNP-MAUKXSAKSA-N 1 2 343.475 3.789 20 0 EHADLO CC(C)CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425203785 1016733709 /nfs/dbraw/zinc/73/37/09/1016733709.db2.gz MDISUZWAWFWCFG-SFHVURJKSA-N 1 2 325.456 3.969 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000705988349 1016800783 /nfs/dbraw/zinc/80/07/83/1016800783.db2.gz KMPUQVYXHHYKOT-MEDUHNTESA-N 1 2 345.349 3.620 20 0 EHADLO Cc1cc(F)cc(-c2noc([C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)c1 ZINC000706015611 1016841591 /nfs/dbraw/zinc/84/15/91/1016841591.db2.gz KZLWWZMRZLLSOU-DYVFJYSZSA-N 1 2 341.386 3.789 20 0 EHADLO Cn1c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)nc2cc(F)ccc21 ZINC000782959769 1016864602 /nfs/dbraw/zinc/86/46/02/1016864602.db2.gz NAWGNMUDZKGPQJ-UHFFFAOYSA-N 1 2 345.805 3.591 20 0 EHADLO COc1cc([C@H](C)NC(=O)CCCn2cc[nH+]c2)cc2ccccc21 ZINC000890791752 1016865075 /nfs/dbraw/zinc/86/50/75/1016865075.db2.gz SACYHAFCGKLKPW-HNNXBMFYSA-N 1 2 337.423 3.703 20 0 EHADLO COCC[N@H+](CCCc1ccccc1)CC(=O)c1ccccc1F ZINC001167271071 1016904002 /nfs/dbraw/zinc/90/40/02/1016904002.db2.gz VCRRXZGVBPBLSI-UHFFFAOYSA-N 1 2 329.415 3.590 20 0 EHADLO COCC[N@@H+](CCCc1ccccc1)CC(=O)c1ccccc1F ZINC001167271071 1016904011 /nfs/dbraw/zinc/90/40/11/1016904011.db2.gz VCRRXZGVBPBLSI-UHFFFAOYSA-N 1 2 329.415 3.590 20 0 EHADLO Cc1cn2cc(NC(=O)CSc3ccc4c(c3)CCC4)ccc2[nH+]1 ZINC000343837454 1016919647 /nfs/dbraw/zinc/91/96/47/1016919647.db2.gz TYAPOSIENKKRRF-UHFFFAOYSA-N 1 2 337.448 3.862 20 0 EHADLO CCC[C@H](CC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376648749 1016950719 /nfs/dbraw/zinc/95/07/19/1016950719.db2.gz LSZUUROAOFDHMC-HOTGVXAUSA-N 1 2 332.492 3.687 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(C2CCCCC2)n1 ZINC000183007505 1032156023 /nfs/dbraw/zinc/15/60/23/1032156023.db2.gz NKJDAUMCVCFVSU-MRXNPFEDSA-N 1 2 327.476 3.571 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(C2CCCCC2)n1 ZINC000183007505 1032156034 /nfs/dbraw/zinc/15/60/34/1032156034.db2.gz NKJDAUMCVCFVSU-MRXNPFEDSA-N 1 2 327.476 3.571 20 0 EHADLO CC[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCC(C)CC1 ZINC000460970628 1032162299 /nfs/dbraw/zinc/16/22/99/1032162299.db2.gz DEYZEPFYSIKJNM-LEOMRAHMSA-N 1 2 331.504 3.731 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1nc2c(s1)CCC2 ZINC000584346962 1032163470 /nfs/dbraw/zinc/16/34/70/1032163470.db2.gz PSJJFKSDWWNVPW-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO CCC[C@@H](CC(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000449108373 1032188773 /nfs/dbraw/zinc/18/87/73/1032188773.db2.gz UNBQMXRRYTYMHM-SFHVURJKSA-N 1 2 346.515 3.597 20 0 EHADLO CCC[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000183254957 1032186267 /nfs/dbraw/zinc/18/62/67/1032186267.db2.gz KTJZKYUZNWFOGB-UKRRQHHQSA-N 1 2 331.391 3.545 20 0 EHADLO COc1nccnc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000449106772 1032188255 /nfs/dbraw/zinc/18/82/55/1032188255.db2.gz JOEYGTRNAWJXJQ-UHFFFAOYSA-N 1 2 326.227 3.817 20 0 EHADLO C[N@H+](Cc1cccc(O)c1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000080924472 1032207641 /nfs/dbraw/zinc/20/76/41/1032207641.db2.gz HOLDBUZNVCKDCF-HXUWFJFHSA-N 1 2 338.451 3.578 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000080924472 1032207658 /nfs/dbraw/zinc/20/76/58/1032207658.db2.gz HOLDBUZNVCKDCF-HXUWFJFHSA-N 1 2 338.451 3.578 20 0 EHADLO CC[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCC(C)CC1 ZINC000461023213 1032213993 /nfs/dbraw/zinc/21/39/93/1032213993.db2.gz KFBAJTONBFGZNA-OPQOLIRYSA-N 1 2 329.488 3.629 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c(=S)n1C ZINC000176829576 1032225571 /nfs/dbraw/zinc/22/55/71/1032225571.db2.gz PTOABNBIBXCDNE-ZDUSSCGKSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(=S)n1C ZINC000176829576 1032225582 /nfs/dbraw/zinc/22/55/82/1032225582.db2.gz PTOABNBIBXCDNE-ZDUSSCGKSA-N 1 2 346.500 3.705 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000536745308 1032225902 /nfs/dbraw/zinc/22/59/02/1032225902.db2.gz OBLOOSYRNOQKNR-RYUDHWBXSA-N 1 2 325.250 3.651 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000536745308 1032225915 /nfs/dbraw/zinc/22/59/15/1032225915.db2.gz OBLOOSYRNOQKNR-RYUDHWBXSA-N 1 2 325.250 3.651 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176831322 1032236776 /nfs/dbraw/zinc/23/67/76/1032236776.db2.gz WYPOCJPOQHFLPY-ZDUSSCGKSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176831322 1032236792 /nfs/dbraw/zinc/23/67/92/1032236792.db2.gz WYPOCJPOQHFLPY-ZDUSSCGKSA-N 1 2 343.500 3.889 20 0 EHADLO CSc1cccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1C ZINC000538237645 1032242966 /nfs/dbraw/zinc/24/29/66/1032242966.db2.gz AHRZDVXSSWWGBX-UHFFFAOYSA-N 1 2 325.437 3.854 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000459524428 1032243276 /nfs/dbraw/zinc/24/32/76/1032243276.db2.gz UEIPWHUNLUTFMP-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459532187 1032251034 /nfs/dbraw/zinc/25/10/34/1032251034.db2.gz OLWQTZXGMDQGBD-LJQANCHMSA-N 1 2 343.471 3.652 20 0 EHADLO COCc1cc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)no1 ZINC000459541994 1032261475 /nfs/dbraw/zinc/26/14/75/1032261475.db2.gz JCXDNWKKTLGDSK-GOSISDBHSA-N 1 2 336.382 3.883 20 0 EHADLO Cc1ccc2sc(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)nc2c1 ZINC000528420926 1032273749 /nfs/dbraw/zinc/27/37/49/1032273749.db2.gz MHFXKCZMZYBXER-HNNXBMFYSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1ccc2sc(C[N@H+](C)[C@H]3CCCc4c3cnn4C)nc2c1 ZINC000528420926 1032273758 /nfs/dbraw/zinc/27/37/58/1032273758.db2.gz MHFXKCZMZYBXER-HNNXBMFYSA-N 1 2 326.469 3.848 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ncc(Br)cn1 ZINC000459584649 1032284710 /nfs/dbraw/zinc/28/47/10/1032284710.db2.gz HUNNKMYZYIWRFV-NSHDSACASA-N 1 2 332.245 3.967 20 0 EHADLO COc1cc(C)ccc1C[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000449196142 1032290144 /nfs/dbraw/zinc/29/01/44/1032290144.db2.gz RTGUWQCCUYRTSS-UHFFFAOYSA-N 1 2 336.439 3.609 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000449205741 1032310002 /nfs/dbraw/zinc/31/00/02/1032310002.db2.gz LVGGLGJXXFZOMR-UHFFFAOYSA-N 1 2 339.505 3.517 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459600271 1032321502 /nfs/dbraw/zinc/32/15/02/1032321502.db2.gz SGYWZLUNDNOAOG-UHFFFAOYSA-N 1 2 343.450 3.587 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459600271 1032321515 /nfs/dbraw/zinc/32/15/15/1032321515.db2.gz SGYWZLUNDNOAOG-UHFFFAOYSA-N 1 2 343.450 3.587 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184871665 1032327317 /nfs/dbraw/zinc/32/73/17/1032327317.db2.gz ZTNVKMDZSYCQAT-INIZCTEOSA-N 1 2 349.434 3.617 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+]3CCC34CCC4)cs2)cc1 ZINC000081562817 1032328964 /nfs/dbraw/zinc/32/89/64/1032328964.db2.gz PISIJBFBMWKHSB-UHFFFAOYSA-N 1 2 330.453 3.859 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+]3CCC34CCC4)cs2)cc1 ZINC000081562817 1032328970 /nfs/dbraw/zinc/32/89/70/1032328970.db2.gz PISIJBFBMWKHSB-UHFFFAOYSA-N 1 2 330.453 3.859 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666562 1032337274 /nfs/dbraw/zinc/33/72/74/1032337274.db2.gz XPYDTZWGIRUXTF-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666562 1032337288 /nfs/dbraw/zinc/33/72/88/1032337288.db2.gz XPYDTZWGIRUXTF-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO CCCCCOc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000081798890 1032367547 /nfs/dbraw/zinc/36/75/47/1032367547.db2.gz DZWRNLQLBHTACP-MRXNPFEDSA-N 1 2 329.444 3.518 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3ncccc3Cl)CC2)c1F ZINC000528516460 1032392514 /nfs/dbraw/zinc/39/25/14/1032392514.db2.gz KETMFFKAMQOUBU-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3ncccc3Cl)CC2)c1F ZINC000528516460 1032392520 /nfs/dbraw/zinc/39/25/20/1032392520.db2.gz KETMFFKAMQOUBU-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)sc1Cl ZINC000449280936 1032401141 /nfs/dbraw/zinc/40/11/41/1032401141.db2.gz BQOFMJWTZIAJHR-UHFFFAOYSA-N 1 2 335.300 3.793 20 0 EHADLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)sc1Cl ZINC000449280936 1032401144 /nfs/dbraw/zinc/40/11/44/1032401144.db2.gz BQOFMJWTZIAJHR-UHFFFAOYSA-N 1 2 335.300 3.793 20 0 EHADLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503797 1032407812 /nfs/dbraw/zinc/40/78/12/1032407812.db2.gz LAGXUKURKHSMNA-IINYFYTJSA-N 1 2 346.780 3.562 20 0 EHADLO C[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503797 1032407820 /nfs/dbraw/zinc/40/78/20/1032407820.db2.gz LAGXUKURKHSMNA-IINYFYTJSA-N 1 2 346.780 3.562 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000050275057 1032408718 /nfs/dbraw/zinc/40/87/18/1032408718.db2.gz YSMULFNUTGWXAW-UHFFFAOYSA-N 1 2 334.510 3.560 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000050275057 1032408726 /nfs/dbraw/zinc/40/87/26/1032408726.db2.gz YSMULFNUTGWXAW-UHFFFAOYSA-N 1 2 334.510 3.560 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536913244 1032425450 /nfs/dbraw/zinc/42/54/50/1032425450.db2.gz BHRMXQJYBNYKHN-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536913244 1032425455 /nfs/dbraw/zinc/42/54/55/1032425455.db2.gz BHRMXQJYBNYKHN-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459758745 1032450865 /nfs/dbraw/zinc/45/08/65/1032450865.db2.gz SNKRLYJTDZOTDD-CQSZACIVSA-N 1 2 339.332 3.764 20 0 EHADLO O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459758745 1032450876 /nfs/dbraw/zinc/45/08/76/1032450876.db2.gz SNKRLYJTDZOTDD-CQSZACIVSA-N 1 2 339.332 3.764 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000118943309 1032468403 /nfs/dbraw/zinc/46/84/03/1032468403.db2.gz YDDYRBHMBGSBDR-CYBMUJFWSA-N 1 2 349.425 3.702 20 0 EHADLO Cc1[nH+]c(NCc2ccccc2OCC2CC2)ccc1-c1cnn(C)c1 ZINC000449348326 1032463219 /nfs/dbraw/zinc/46/32/19/1032463219.db2.gz TVUWXHUTMCSOFV-UHFFFAOYSA-N 1 2 348.450 3.613 20 0 EHADLO CCC1(c2ccccc2)C[NH+](Cc2c(Br)c(C)nn2C)C1 ZINC000459779737 1032465231 /nfs/dbraw/zinc/46/52/31/1032465231.db2.gz YDBVHDVPYAEITC-UHFFFAOYSA-N 1 2 348.288 3.655 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787682 1032474199 /nfs/dbraw/zinc/47/41/99/1032474199.db2.gz CRDGMTBQAPHGAP-QWHCGFSZSA-N 1 2 342.505 3.650 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787682 1032474208 /nfs/dbraw/zinc/47/42/08/1032474208.db2.gz CRDGMTBQAPHGAP-QWHCGFSZSA-N 1 2 342.505 3.650 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000343791056 1032501347 /nfs/dbraw/zinc/50/13/47/1032501347.db2.gz BGUMLNAVDOHWRV-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCSC(C)(C)C1 ZINC000088548107 1032506437 /nfs/dbraw/zinc/50/64/37/1032506437.db2.gz YRKJGVQYHMPYRN-LBPRGKRZSA-N 1 2 335.448 3.688 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCSC(C)(C)C1 ZINC000088548107 1032506443 /nfs/dbraw/zinc/50/64/43/1032506443.db2.gz YRKJGVQYHMPYRN-LBPRGKRZSA-N 1 2 335.448 3.688 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nnnn1C1CCCCC1 ZINC000528656055 1032540773 /nfs/dbraw/zinc/54/07/73/1032540773.db2.gz FGWFYTMHCUFWOY-RDTXWAMCSA-N 1 2 340.475 3.765 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089971227 1032549250 /nfs/dbraw/zinc/54/92/50/1032549250.db2.gz NAJRGEULUJKYBB-LBPRGKRZSA-N 1 2 340.345 3.792 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccncc3)ccc2[nH+]1 ZINC000665952093 1032572677 /nfs/dbraw/zinc/57/26/77/1032572677.db2.gz ZYGVMDFJBJFNEI-SFHVURJKSA-N 1 2 347.422 3.797 20 0 EHADLO Cc1c[nH+]c(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)n1C ZINC000449436934 1032581364 /nfs/dbraw/zinc/58/13/64/1032581364.db2.gz KGHYMESKSMJARN-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO Cc1cnc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)n1C ZINC000449436934 1032581372 /nfs/dbraw/zinc/58/13/72/1032581372.db2.gz KGHYMESKSMJARN-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]2C(C)C)c(C)c1 ZINC000537278400 1032590171 /nfs/dbraw/zinc/59/01/71/1032590171.db2.gz DXYZFFFHLOWKIW-RTBURBONSA-N 1 2 340.471 3.681 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000547857216 1017106069 /nfs/dbraw/zinc/10/60/69/1017106069.db2.gz SQFKRMCGBMBWCX-CYBMUJFWSA-N 1 2 346.397 3.550 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)[nH+]c12 ZINC000606217743 1032595115 /nfs/dbraw/zinc/59/51/15/1032595115.db2.gz WWISKOPWHAZRAY-ZWKOTPCHSA-N 1 2 347.462 3.898 20 0 EHADLO CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606198550 1032601572 /nfs/dbraw/zinc/60/15/72/1032601572.db2.gz KXUVCVNODHPTOH-UHFFFAOYSA-N 1 2 341.440 3.530 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4CC3(c3ccccc3)C4)ccc2[nH+]1 ZINC000665951901 1032610582 /nfs/dbraw/zinc/61/05/82/1032610582.db2.gz WDAFJKCAACMSPS-UHFFFAOYSA-N 1 2 332.407 3.796 20 0 EHADLO CCn1ccnc(Nc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)c1=O ZINC000091014498 1032614981 /nfs/dbraw/zinc/61/49/81/1032614981.db2.gz DEVMZDIDAFCMQO-HNNXBMFYSA-N 1 2 326.444 3.694 20 0 EHADLO CCn1ccnc(Nc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)c1=O ZINC000091014498 1032614993 /nfs/dbraw/zinc/61/49/93/1032614993.db2.gz DEVMZDIDAFCMQO-HNNXBMFYSA-N 1 2 326.444 3.694 20 0 EHADLO FC(F)c1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000350277729 1032638466 /nfs/dbraw/zinc/63/84/66/1032638466.db2.gz LDDRLSCYCZAHIA-UHFFFAOYSA-N 1 2 339.305 3.922 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCc2sccc2C1 ZINC000592982051 1032651137 /nfs/dbraw/zinc/65/11/37/1032651137.db2.gz AYFMUUPOVWEFJV-NSHDSACASA-N 1 2 336.407 3.802 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCc2sccc2C1 ZINC000592982051 1032651145 /nfs/dbraw/zinc/65/11/45/1032651145.db2.gz AYFMUUPOVWEFJV-NSHDSACASA-N 1 2 336.407 3.802 20 0 EHADLO O=C(C[N@@H+]1CCCc2sccc2C1)N1CCSc2ccccc21 ZINC000592983920 1032655201 /nfs/dbraw/zinc/65/52/01/1032655201.db2.gz NYMOTBFOJHCQIX-UHFFFAOYSA-N 1 2 344.505 3.635 20 0 EHADLO O=C(C[N@H+]1CCCc2sccc2C1)N1CCSc2ccccc21 ZINC000592983920 1032655218 /nfs/dbraw/zinc/65/52/18/1032655218.db2.gz NYMOTBFOJHCQIX-UHFFFAOYSA-N 1 2 344.505 3.635 20 0 EHADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cn2)cc1 ZINC000606431776 1032678684 /nfs/dbraw/zinc/67/86/84/1032678684.db2.gz AVOUSCGHSVMVDP-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Br)cn2)cc1 ZINC000606431776 1032678692 /nfs/dbraw/zinc/67/86/92/1032678692.db2.gz AVOUSCGHSVMVDP-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO CSCC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000593046112 1032680867 /nfs/dbraw/zinc/68/08/67/1032680867.db2.gz NHBLPZCLEBSOFY-UHFFFAOYSA-N 1 2 335.860 3.998 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Oc2ccccc2)cc1 ZINC000188351664 1017145964 /nfs/dbraw/zinc/14/59/64/1017145964.db2.gz XPMWRMDFRUXNMR-HNNXBMFYSA-N 1 2 335.407 3.632 20 0 EHADLO COc1ccc2cccc(CC(=O)Nc3c[nH+]c4n3CCCC4)c2c1 ZINC000579919521 1017176352 /nfs/dbraw/zinc/17/63/52/1017176352.db2.gz CDGHTTRNAPSYSR-UHFFFAOYSA-N 1 2 335.407 3.562 20 0 EHADLO c1nnc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000683520395 1017254572 /nfs/dbraw/zinc/25/45/72/1017254572.db2.gz VLBQHQNEMFGHHK-SFHVURJKSA-N 1 2 336.464 3.557 20 0 EHADLO c1nnc(C[N@H+]2CCS[C@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000683520395 1017254583 /nfs/dbraw/zinc/25/45/83/1017254583.db2.gz VLBQHQNEMFGHHK-SFHVURJKSA-N 1 2 336.464 3.557 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1nc(C2CCC2)cs1 ZINC000377114664 1017345862 /nfs/dbraw/zinc/34/58/62/1017345862.db2.gz QIDGXLZRIMIVHM-UHFFFAOYSA-N 1 2 345.472 3.607 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000890939876 1017404983 /nfs/dbraw/zinc/40/49/83/1017404983.db2.gz HREGZJYMGNWTBY-UHFFFAOYSA-N 1 2 343.471 3.964 20 0 EHADLO CCc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nc(CC)[nH+]1 ZINC000892779907 1017410864 /nfs/dbraw/zinc/41/08/64/1017410864.db2.gz WWPMRXHHZBFTPK-ZLOXQWCVSA-N 1 2 331.485 3.536 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1Cc2cccc(Cl)c2C1 ZINC000377195434 1017413825 /nfs/dbraw/zinc/41/38/25/1017413825.db2.gz UTOPQWYECYAIBL-UHFFFAOYSA-N 1 2 327.819 3.755 20 0 EHADLO c1ccc2c(c1)CC[C@@]1(CCC[N@@H+](Cc3nnc(C4CC4)s3)C1)O2 ZINC000528728956 1032694352 /nfs/dbraw/zinc/69/43/52/1032694352.db2.gz MGXFGRRYPLNPKK-LJQANCHMSA-N 1 2 341.480 3.775 20 0 EHADLO c1ccc2c(c1)CC[C@@]1(CCC[N@H+](Cc3nnc(C4CC4)s3)C1)O2 ZINC000528728956 1032694357 /nfs/dbraw/zinc/69/43/57/1032694357.db2.gz MGXFGRRYPLNPKK-LJQANCHMSA-N 1 2 341.480 3.775 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)c(F)c1 ZINC000549158627 1017432324 /nfs/dbraw/zinc/43/23/24/1017432324.db2.gz KCJQFHPVBRYOGB-UHFFFAOYSA-N 1 2 328.387 3.845 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC(C)=C(c3ccco3)C2)c(F)c1 ZINC000549158627 1017432336 /nfs/dbraw/zinc/43/23/36/1017432336.db2.gz KCJQFHPVBRYOGB-UHFFFAOYSA-N 1 2 328.387 3.845 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccncc1Br)c1ccc(C)o1 ZINC000625319586 1017455871 /nfs/dbraw/zinc/45/58/71/1017455871.db2.gz KCBNNNAOGQGUOU-AWEZNQCLSA-N 1 2 339.233 3.613 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)C1 ZINC000121494185 1017459249 /nfs/dbraw/zinc/45/92/49/1017459249.db2.gz NFVMUJRVMOOWQH-DLBZAZTESA-N 1 2 340.471 3.509 20 0 EHADLO Fc1cccc(Oc2ccc(C[NH2+]Cc3nccn3C3CC3)cn2)c1 ZINC000892808657 1017474009 /nfs/dbraw/zinc/47/40/09/1017474009.db2.gz DKWLDAJNJFXDIW-UHFFFAOYSA-N 1 2 338.386 3.834 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377260803 1017542818 /nfs/dbraw/zinc/54/28/18/1017542818.db2.gz ZOJLLLLLQQGGOR-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377260803 1017542831 /nfs/dbraw/zinc/54/28/31/1017542831.db2.gz ZOJLLLLLQQGGOR-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)NCC(CC)CC)CC2)s1 ZINC000606500789 1032709278 /nfs/dbraw/zinc/70/92/78/1032709278.db2.gz JXXSTMPRTYAAKP-UHFFFAOYSA-N 1 2 337.533 3.574 20 0 EHADLO CCCCc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655795449 1017628633 /nfs/dbraw/zinc/62/86/33/1017628633.db2.gz BWQXMXQWMPUOBQ-WMLDXEAASA-N 1 2 328.460 3.850 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)c2ccccc21 ZINC000655798094 1017638204 /nfs/dbraw/zinc/63/82/04/1017638204.db2.gz WZFSIWDTILNPSH-PXAZEXFGSA-N 1 2 340.402 3.799 20 0 EHADLO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655798787 1017638596 /nfs/dbraw/zinc/63/85/96/1017638596.db2.gz YKTJKFAIWPYNGA-WMLDXEAASA-N 1 2 344.459 3.542 20 0 EHADLO Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)on2)cc1 ZINC000375620087 1017655948 /nfs/dbraw/zinc/65/59/48/1017655948.db2.gz UXJSJZCVWBVPCZ-SFHVURJKSA-N 1 2 326.375 3.931 20 0 EHADLO Fc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)on2)cc1 ZINC000375620087 1017655958 /nfs/dbraw/zinc/65/59/58/1017655958.db2.gz UXJSJZCVWBVPCZ-SFHVURJKSA-N 1 2 326.375 3.931 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001266515606 1017731140 /nfs/dbraw/zinc/73/11/40/1017731140.db2.gz FJXJNEZDLFUSSG-UHFFFAOYSA-N 1 2 341.455 3.905 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ncc(Br)cn1 ZINC000340424461 1017734668 /nfs/dbraw/zinc/73/46/68/1017734668.db2.gz QVSNHFIHTRKYQL-OTYXRUKQSA-N 1 2 336.208 3.716 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OC[C@H]2CCOC2)c1 ZINC000091735344 1032720816 /nfs/dbraw/zinc/72/08/16/1032720816.db2.gz NPHVCPGIMDYKAC-CABCVRRESA-N 1 2 332.469 3.718 20 0 EHADLO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000189403443 1017782538 /nfs/dbraw/zinc/78/25/38/1017782538.db2.gz FNGKTNLAJNWWKK-UHFFFAOYSA-N 1 2 330.771 3.582 20 0 EHADLO CCC[N@H+](CCc1ccccn1)[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639169098 1017793880 /nfs/dbraw/zinc/79/38/80/1017793880.db2.gz CCWKLANWZDEADM-SFHVURJKSA-N 1 2 327.476 3.776 20 0 EHADLO CCC[N@@H+](CCc1ccccn1)[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639169098 1017793892 /nfs/dbraw/zinc/79/38/92/1017793892.db2.gz CCWKLANWZDEADM-SFHVURJKSA-N 1 2 327.476 3.776 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343844226 1017839166 /nfs/dbraw/zinc/83/91/66/1017839166.db2.gz URCGWZAVXLAQQU-KWQFWETISA-N 1 2 334.338 3.685 20 0 EHADLO C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1(C)C ZINC000275655772 1017936947 /nfs/dbraw/zinc/93/69/47/1017936947.db2.gz WVCZVGWYBFIFEX-DOMZBBRYSA-N 1 2 325.412 3.657 20 0 EHADLO Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)c1 ZINC000579982588 1017960538 /nfs/dbraw/zinc/96/05/38/1017960538.db2.gz MUZWDAUPVFMOKF-UHFFFAOYSA-N 1 2 348.406 3.917 20 0 EHADLO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Cl)s2)c2cc(F)ccc21 ZINC000071306502 1017967132 /nfs/dbraw/zinc/96/71/32/1017967132.db2.gz CQMXZANASZNELW-GFCCVEGCSA-N 1 2 345.848 3.549 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613675426 1018004128 /nfs/dbraw/zinc/00/41/28/1018004128.db2.gz LCJPFUGSQKJYJS-LJQANCHMSA-N 1 2 337.467 3.605 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc(N)[nH+]c2)n1)CC[C@H](C)C3 ZINC000193385751 1032739776 /nfs/dbraw/zinc/73/97/76/1032739776.db2.gz IHZKOBWZYSXBCJ-JTQLQIEISA-N 1 2 339.468 3.714 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1c(F)cccc1F ZINC000602272282 1032741808 /nfs/dbraw/zinc/74/18/08/1032741808.db2.gz PQVSBJFRRDFPLM-ABAIWWIYSA-N 1 2 334.341 3.560 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622179 1018082360 /nfs/dbraw/zinc/08/23/60/1018082360.db2.gz IJXZXXCMDHGOBI-ZDUSSCGKSA-N 1 2 336.482 3.759 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622179 1018082373 /nfs/dbraw/zinc/08/23/73/1018082373.db2.gz IJXZXXCMDHGOBI-ZDUSSCGKSA-N 1 2 336.482 3.759 20 0 EHADLO CO[C@H](CC(C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415529290 1018146399 /nfs/dbraw/zinc/14/63/99/1018146399.db2.gz SRDQLLWBWIGATA-GOSISDBHSA-N 1 2 341.455 3.886 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000340495368 1018149002 /nfs/dbraw/zinc/14/90/02/1018149002.db2.gz GODTWCKQKSLJRV-MRVPVSSYSA-N 1 2 329.343 3.803 20 0 EHADLO CCc1nnc(C[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000290249260 1018171856 /nfs/dbraw/zinc/17/18/56/1018171856.db2.gz UBWQMJCHTHZFOS-GFCCVEGCSA-N 1 2 338.274 3.640 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cn(C(C)C)nn2)CC1 ZINC000377698436 1018213685 /nfs/dbraw/zinc/21/36/85/1018213685.db2.gz OYLGWEGVFKNOAO-UHFFFAOYSA-N 1 2 335.455 3.938 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cn(C(C)C)nn2)CC1 ZINC000377698436 1018213692 /nfs/dbraw/zinc/21/36/92/1018213692.db2.gz OYLGWEGVFKNOAO-UHFFFAOYSA-N 1 2 335.455 3.938 20 0 EHADLO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000377732882 1018286910 /nfs/dbraw/zinc/28/69/10/1018286910.db2.gz QALZFQZZHWHXOV-OAHLLOKOSA-N 1 2 346.793 3.778 20 0 EHADLO Fc1cccc(-c2cnc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000377732882 1018286924 /nfs/dbraw/zinc/28/69/24/1018286924.db2.gz QALZFQZZHWHXOV-OAHLLOKOSA-N 1 2 346.793 3.778 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)on1)C[C@H]1COc2ccccc2O1 ZINC000510315152 1018356800 /nfs/dbraw/zinc/35/68/00/1018356800.db2.gz OPYZZAPWJHKHTM-KRWDZBQOSA-N 1 2 336.391 3.613 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)on1)C[C@H]1COc2ccccc2O1 ZINC000510315152 1018356811 /nfs/dbraw/zinc/35/68/11/1018356811.db2.gz OPYZZAPWJHKHTM-KRWDZBQOSA-N 1 2 336.391 3.613 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000606633213 1032761364 /nfs/dbraw/zinc/76/13/64/1032761364.db2.gz KKEAJACSIIFFEA-WMZOPIPTSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1OC(F)F ZINC000606581607 1032766207 /nfs/dbraw/zinc/76/62/07/1032766207.db2.gz KETRWWFXYUFSMP-LLVKDONJSA-N 1 2 346.337 3.818 20 0 EHADLO CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582572 1032766416 /nfs/dbraw/zinc/76/64/16/1032766416.db2.gz VHBOLNLRJCKZDY-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766147 1032766993 /nfs/dbraw/zinc/76/69/93/1032766993.db2.gz CZJJIJZMIXWJPZ-HZMBPMFUSA-N 1 2 346.780 3.704 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766147 1032767003 /nfs/dbraw/zinc/76/70/03/1032767003.db2.gz CZJJIJZMIXWJPZ-HZMBPMFUSA-N 1 2 346.780 3.704 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000343850025 1018493904 /nfs/dbraw/zinc/49/39/04/1018493904.db2.gz FKVRZEIYXNQVLH-DEOSSOPVSA-N 1 2 346.402 3.737 20 0 EHADLO Cc1nc([C@@H](C)[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)no1 ZINC000377867724 1018502346 /nfs/dbraw/zinc/50/23/46/1018502346.db2.gz BGJQDLAHASARPB-GFCCVEGCSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)no1 ZINC000377867724 1018502352 /nfs/dbraw/zinc/50/23/52/1018502352.db2.gz BGJQDLAHASARPB-GFCCVEGCSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ncc1Br ZINC000628290628 1018603567 /nfs/dbraw/zinc/60/35/67/1018603567.db2.gz NEGWFNMIVIHLHZ-QWHCGFSZSA-N 1 2 331.204 3.630 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ncc1Br ZINC000628290628 1018603574 /nfs/dbraw/zinc/60/35/74/1018603574.db2.gz NEGWFNMIVIHLHZ-QWHCGFSZSA-N 1 2 331.204 3.630 20 0 EHADLO COc1cc(Nc2ccnc(Cl)c2Br)cc(C)[nH+]1 ZINC001210775638 1018656130 /nfs/dbraw/zinc/65/61/30/1018656130.db2.gz IBEBFEZJYZAKLD-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000028175686 1018680386 /nfs/dbraw/zinc/68/03/86/1018680386.db2.gz DFEYEXDFQVEDTR-ZDUSSCGKSA-N 1 2 344.505 3.634 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000028175686 1018680391 /nfs/dbraw/zinc/68/03/91/1018680391.db2.gz DFEYEXDFQVEDTR-ZDUSSCGKSA-N 1 2 344.505 3.634 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000052074031 1018720943 /nfs/dbraw/zinc/72/09/43/1018720943.db2.gz WRBWXTRFMIJBIT-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000052074031 1018720954 /nfs/dbraw/zinc/72/09/54/1018720954.db2.gz WRBWXTRFMIJBIT-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213240 1018796335 /nfs/dbraw/zinc/79/63/35/1018796335.db2.gz KWIDGXOJNJTANP-CABCVRRESA-N 1 2 343.858 3.860 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213240 1018796351 /nfs/dbraw/zinc/79/63/51/1018796351.db2.gz KWIDGXOJNJTANP-CABCVRRESA-N 1 2 343.858 3.860 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222685 1018824179 /nfs/dbraw/zinc/82/41/79/1018824179.db2.gz WRCQPVRLUABICF-ZYHUDNBSSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222685 1018824195 /nfs/dbraw/zinc/82/41/95/1018824195.db2.gz WRCQPVRLUABICF-ZYHUDNBSSA-N 1 2 333.234 3.605 20 0 EHADLO CCCn1nccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614353484 1018833576 /nfs/dbraw/zinc/83/35/76/1018833576.db2.gz MTFCVVPWTOARHB-UHFFFAOYSA-N 1 2 349.438 3.745 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213936 1018875000 /nfs/dbraw/zinc/87/50/00/1018875000.db2.gz CDZYFDXAQFBFNF-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213936 1018875019 /nfs/dbraw/zinc/87/50/19/1018875019.db2.gz CDZYFDXAQFBFNF-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)[C@@H]1CCc2ccccc21 ZINC000047406054 1018885214 /nfs/dbraw/zinc/88/52/14/1018885214.db2.gz UBCRPCPYQORZBV-HXUWFJFHSA-N 1 2 348.446 3.565 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)[C@@H]1CCc2ccccc21 ZINC000047406054 1018885235 /nfs/dbraw/zinc/88/52/35/1018885235.db2.gz UBCRPCPYQORZBV-HXUWFJFHSA-N 1 2 348.446 3.565 20 0 EHADLO C[C@H](c1cccnc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255303996 1018916329 /nfs/dbraw/zinc/91/63/29/1018916329.db2.gz XHEXDHBMKVQJFO-BSDKJSHOSA-N 1 2 332.407 3.500 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)n1cc[nH+]c1 ZINC000576402632 1018939844 /nfs/dbraw/zinc/93/98/44/1018939844.db2.gz JEVCYTSHZBZMMJ-SNVBAGLBSA-N 1 2 345.296 3.553 20 0 EHADLO CC1(C)C[N@H+](Cc2cnc3ccc(Br)cn23)[C@H]1C1CC1 ZINC000576438475 1018999267 /nfs/dbraw/zinc/99/92/67/1018999267.db2.gz OXHZAIXIURUAKY-HNNXBMFYSA-N 1 2 334.261 3.717 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnc3ccc(Br)cn23)[C@H]1C1CC1 ZINC000576438475 1018999276 /nfs/dbraw/zinc/99/92/76/1018999276.db2.gz OXHZAIXIURUAKY-HNNXBMFYSA-N 1 2 334.261 3.717 20 0 EHADLO CCc1nsc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000092653448 1032804261 /nfs/dbraw/zinc/80/42/61/1032804261.db2.gz JKWYNBRGTNZXEO-UHFFFAOYSA-N 1 2 345.497 3.933 20 0 EHADLO CCc1nsc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000092653448 1032804268 /nfs/dbraw/zinc/80/42/68/1032804268.db2.gz JKWYNBRGTNZXEO-UHFFFAOYSA-N 1 2 345.497 3.933 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340644298 1019061140 /nfs/dbraw/zinc/06/11/40/1019061140.db2.gz SEYVPOBVTZVAEK-BPLDGKMQSA-N 1 2 329.831 3.573 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H](C)c2cccs2)[nH+]1 ZINC000151108783 1019104336 /nfs/dbraw/zinc/10/43/36/1019104336.db2.gz XCTODASKNAANFA-OAHLLOKOSA-N 1 2 333.453 3.748 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000683900558 1019154458 /nfs/dbraw/zinc/15/44/58/1019154458.db2.gz YLJJNHHLDFEJPG-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000683900558 1019154466 /nfs/dbraw/zinc/15/44/66/1019154466.db2.gz YLJJNHHLDFEJPG-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2ncc(C)cn2)C(C)(C)C)c1 ZINC000340689458 1019364755 /nfs/dbraw/zinc/36/47/55/1019364755.db2.gz OSBSQRFONLXORI-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2ncc(C)cn2)C(C)(C)C)c1 ZINC000340689458 1019364770 /nfs/dbraw/zinc/36/47/70/1019364770.db2.gz OSBSQRFONLXORI-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccn2)cc1 ZINC000054152889 1019382045 /nfs/dbraw/zinc/38/20/45/1019382045.db2.gz AIMNKGRTCOCTNZ-HXUWFJFHSA-N 1 2 332.403 3.732 20 0 EHADLO NC(=[NH+]OCc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000054153221 1019383653 /nfs/dbraw/zinc/38/36/53/1019383653.db2.gz OQTJQLIIHWCOQG-UHFFFAOYSA-N 1 2 345.402 3.776 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)c2nccn21 ZINC000449572829 1032827882 /nfs/dbraw/zinc/82/78/82/1032827882.db2.gz OFKAJOFGLHABHP-XJKSGUPXSA-N 1 2 330.863 3.932 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573067 1032830141 /nfs/dbraw/zinc/83/01/41/1032830141.db2.gz PJBXJHBFRHDYSA-CRAIPNDOSA-N 1 2 335.455 3.988 20 0 EHADLO Fc1ccc(C[N@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000430015297 1019449345 /nfs/dbraw/zinc/44/93/45/1019449345.db2.gz JQDGIEUXRVNVEO-UHFFFAOYSA-N 1 2 336.414 3.630 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000430015297 1019449350 /nfs/dbraw/zinc/44/93/50/1019449350.db2.gz JQDGIEUXRVNVEO-UHFFFAOYSA-N 1 2 336.414 3.630 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092593810 1032833309 /nfs/dbraw/zinc/83/33/09/1032833309.db2.gz ZKCSZTXKCFZBFT-QGZVFWFLSA-N 1 2 340.448 3.878 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092593810 1032833325 /nfs/dbraw/zinc/83/33/25/1032833325.db2.gz ZKCSZTXKCFZBFT-QGZVFWFLSA-N 1 2 340.448 3.878 20 0 EHADLO COc1sc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Br ZINC000449575701 1032834215 /nfs/dbraw/zinc/83/42/15/1032834215.db2.gz YQDTZBTVLZAMBZ-LDYMZIIASA-N 1 2 342.262 3.511 20 0 EHADLO CC(=O)c1c(C)oc2ncnc(NCc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000178889073 1019521952 /nfs/dbraw/zinc/52/19/52/1019521952.db2.gz CKOLIQPNRIJIOO-UHFFFAOYSA-N 1 2 347.378 3.532 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000513338848 1019540462 /nfs/dbraw/zinc/54/04/62/1019540462.db2.gz BHOBUZVCXBYEDF-UWVAXJGDSA-N 1 2 344.499 3.628 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000513338848 1019540478 /nfs/dbraw/zinc/54/04/78/1019540478.db2.gz BHOBUZVCXBYEDF-UWVAXJGDSA-N 1 2 344.499 3.628 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000433735443 1019562583 /nfs/dbraw/zinc/56/25/83/1019562583.db2.gz ARIRFMIVOMTONR-CYBMUJFWSA-N 1 2 337.345 3.595 20 0 EHADLO FC(F)(F)[C@H]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433755549 1019569086 /nfs/dbraw/zinc/56/90/86/1019569086.db2.gz HOWGLEIAAPMYKM-STQMWFEESA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@H]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433755549 1019569106 /nfs/dbraw/zinc/56/91/06/1019569106.db2.gz HOWGLEIAAPMYKM-STQMWFEESA-N 1 2 328.382 3.857 20 0 EHADLO Cc1cc(Nc2ncnc(N)c2Cl)c[nH+]c1N1CCCC[C@@H]1C ZINC000433760566 1019587857 /nfs/dbraw/zinc/58/78/57/1019587857.db2.gz WAEGPTMWOSDHSV-NSHDSACASA-N 1 2 332.839 3.538 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000340726836 1019634550 /nfs/dbraw/zinc/63/45/50/1019634550.db2.gz IIKKLTWQNPIKKU-NSHDSACASA-N 1 2 333.461 3.575 20 0 EHADLO COc1ccc2nc(C[NH2+][C@@H](c3ccccc3F)[C@H](C)O)sc2c1 ZINC000580558603 1019643500 /nfs/dbraw/zinc/64/35/00/1019643500.db2.gz GJQRXVRWPBZICG-BBATYDOGSA-N 1 2 346.427 3.656 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471598845 1019710031 /nfs/dbraw/zinc/71/00/31/1019710031.db2.gz ZATLZTAKBJSIAU-WBVHZDCISA-N 1 2 328.460 3.832 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000656259611 1019733030 /nfs/dbraw/zinc/73/30/30/1019733030.db2.gz BNKIVLZSYYOJGY-KRWDZBQOSA-N 1 2 346.496 3.664 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000656259611 1019733042 /nfs/dbraw/zinc/73/30/42/1019733042.db2.gz BNKIVLZSYYOJGY-KRWDZBQOSA-N 1 2 346.496 3.664 20 0 EHADLO CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664198692 1019737677 /nfs/dbraw/zinc/73/76/77/1019737677.db2.gz GOADJUYBQMXIRU-XNJGSVPQSA-N 1 2 334.847 3.866 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000122966959 1019785894 /nfs/dbraw/zinc/78/58/94/1019785894.db2.gz VJCLDZGTUXQWNY-MAUKXSAKSA-N 1 2 341.430 3.554 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccccc2C1 ZINC000340737869 1019799381 /nfs/dbraw/zinc/79/93/81/1019799381.db2.gz IGMPKIXEOUIYIP-LJQANCHMSA-N 1 2 331.419 3.517 20 0 EHADLO C[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047985562 1019837970 /nfs/dbraw/zinc/83/79/70/1019837970.db2.gz WUEORRBLDMHCSI-KRWDZBQOSA-N 1 2 348.450 3.534 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nc(C)no1 ZINC000656278096 1019890486 /nfs/dbraw/zinc/89/04/86/1019890486.db2.gz DYVLNRIOWBHRQS-YRNVUSSQSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nc(C)no1 ZINC000656278096 1019890501 /nfs/dbraw/zinc/89/05/01/1019890501.db2.gz DYVLNRIOWBHRQS-YRNVUSSQSA-N 1 2 325.334 3.932 20 0 EHADLO Cc1nc(CN2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)oc1C ZINC000255721765 1019934490 /nfs/dbraw/zinc/93/44/90/1019934490.db2.gz WUFSDRRTBSVNCJ-ARJAWSKDSA-N 1 2 345.874 3.776 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)[nH]2)cc1 ZINC000471616210 1019966476 /nfs/dbraw/zinc/96/64/76/1019966476.db2.gz ANJIUXQMFHBULI-RTBURBONSA-N 1 2 348.450 3.810 20 0 EHADLO COc1ccc(-c2ccnc(NC[C@H]3CCCn4cc(C)[nH+]c43)n2)cc1 ZINC000580755404 1019986288 /nfs/dbraw/zinc/98/62/88/1019986288.db2.gz TUOIUAOGNSPEEH-MRXNPFEDSA-N 1 2 349.438 3.647 20 0 EHADLO Cc1ccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000340791788 1019991863 /nfs/dbraw/zinc/99/18/63/1019991863.db2.gz HIUSAQQQHYOBCR-UHFFFAOYSA-N 1 2 335.455 3.832 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCCCCC1 ZINC000471620440 1020078099 /nfs/dbraw/zinc/07/80/99/1020078099.db2.gz RULPNNOCPQZGGC-OAHLLOKOSA-N 1 2 328.460 3.832 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580825229 1020088674 /nfs/dbraw/zinc/08/86/74/1020088674.db2.gz UAERLTDIPQQGCS-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580825229 1020088682 /nfs/dbraw/zinc/08/86/82/1020088682.db2.gz UAERLTDIPQQGCS-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000528830166 1032878493 /nfs/dbraw/zinc/87/84/93/1032878493.db2.gz RXKYWGRJNNPJNN-SMDDNHRTSA-N 1 2 337.345 3.683 20 0 EHADLO Cc1sc2ncnc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1C ZINC000345343734 1020163060 /nfs/dbraw/zinc/16/30/60/1020163060.db2.gz PUHTWTDOZBZLRA-RISCZKNCSA-N 1 2 327.457 3.592 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ncccc1F ZINC000528831092 1032881224 /nfs/dbraw/zinc/88/12/24/1032881224.db2.gz RUCYMUZOUXFCBV-ZDUSSCGKSA-N 1 2 329.419 3.808 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccoc1C(C)C ZINC000280209927 1020180743 /nfs/dbraw/zinc/18/07/43/1020180743.db2.gz AHABADSWSIMBDL-UHFFFAOYSA-N 1 2 342.439 3.796 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)s1 ZINC000684110184 1020233204 /nfs/dbraw/zinc/23/32/04/1020233204.db2.gz PEEYYAHCVCKNHS-UHFFFAOYSA-N 1 2 331.485 3.948 20 0 EHADLO Fc1cc(F)c(F)c(C[NH2+]Cc2ccnn2-c2ccccc2)c1F ZINC000684109855 1020234435 /nfs/dbraw/zinc/23/44/35/1020234435.db2.gz MFIWVCMSFGHNAZ-UHFFFAOYSA-N 1 2 335.304 3.719 20 0 EHADLO C[C@H]1CCC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345467001 1020279160 /nfs/dbraw/zinc/27/91/60/1020279160.db2.gz RCZFDJDWHVEUGP-RDJZCZTQSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)(C)c1cnc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000276010654 1020323931 /nfs/dbraw/zinc/32/39/31/1020323931.db2.gz QBNNGAKFCSKUGM-HNNXBMFYSA-N 1 2 328.460 3.911 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119331802 1032892205 /nfs/dbraw/zinc/89/22/05/1032892205.db2.gz GCZGYJVWNPJUGD-ROUUACIJSA-N 1 2 339.483 3.703 20 0 EHADLO CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000280373497 1020330821 /nfs/dbraw/zinc/33/08/21/1020330821.db2.gz YJFGAXQFSIUSHX-HOTGVXAUSA-N 1 2 327.428 3.919 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCOCc2ccccc2)o1 ZINC000581038695 1020373566 /nfs/dbraw/zinc/37/35/66/1020373566.db2.gz UBAILLGTUJQQAK-LJQANCHMSA-N 1 2 329.440 3.822 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCCOCc2ccccc2)o1 ZINC000581038695 1020373575 /nfs/dbraw/zinc/37/35/75/1020373575.db2.gz UBAILLGTUJQQAK-LJQANCHMSA-N 1 2 329.440 3.822 20 0 EHADLO COc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)cc1C ZINC000280421883 1020377816 /nfs/dbraw/zinc/37/78/16/1020377816.db2.gz DEPXDCKEBASARF-CXAGYDPISA-N 1 2 342.443 3.624 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000029143488 1020417868 /nfs/dbraw/zinc/41/78/68/1020417868.db2.gz HGXDLJXHPZOUSZ-GOSISDBHSA-N 1 2 342.489 3.979 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000029143488 1020417872 /nfs/dbraw/zinc/41/78/72/1020417872.db2.gz HGXDLJXHPZOUSZ-GOSISDBHSA-N 1 2 342.489 3.979 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)s1 ZINC000684143736 1020422458 /nfs/dbraw/zinc/42/24/58/1020422458.db2.gz YALCVNQEAPRTAN-UHFFFAOYSA-N 1 2 326.469 3.916 20 0 EHADLO CCn1cc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)c2ccccc21 ZINC000050771286 1020482087 /nfs/dbraw/zinc/48/20/87/1020482087.db2.gz KFYURAGJZGGQMH-UHFFFAOYSA-N 1 2 337.423 3.612 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccn1 ZINC000048272940 1020487355 /nfs/dbraw/zinc/48/73/55/1020487355.db2.gz NZEAVKCEZVRMFB-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccn1 ZINC000048272940 1020487358 /nfs/dbraw/zinc/48/73/58/1020487358.db2.gz NZEAVKCEZVRMFB-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO C[N@H+](Cc1csc(C2CCCC2)n1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280613644 1020526119 /nfs/dbraw/zinc/52/61/19/1020526119.db2.gz WBUHLHMMKHMZDS-KRWDZBQOSA-N 1 2 343.496 3.849 20 0 EHADLO C[N@@H+](Cc1csc(C2CCCC2)n1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280613644 1020526122 /nfs/dbraw/zinc/52/61/22/1020526122.db2.gz WBUHLHMMKHMZDS-KRWDZBQOSA-N 1 2 343.496 3.849 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093866102 1032913511 /nfs/dbraw/zinc/91/35/11/1032913511.db2.gz URTCIEUICHPIDY-OAHLLOKOSA-N 1 2 340.320 3.893 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093866102 1032913518 /nfs/dbraw/zinc/91/35/18/1032913518.db2.gz URTCIEUICHPIDY-OAHLLOKOSA-N 1 2 340.320 3.893 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@H](OC2CCCC2)C(F)(F)F)[nH+]1 ZINC000664229499 1020622743 /nfs/dbraw/zinc/62/27/43/1020622743.db2.gz DVRCKSVYNPFXPP-LBPRGKRZSA-N 1 2 328.338 3.568 20 0 EHADLO CC(C)Cn1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000340958953 1020680261 /nfs/dbraw/zinc/68/02/61/1020680261.db2.gz UGAPZZUZIPRCLV-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO CC(C)Cn1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cn1 ZINC000340958953 1020680269 /nfs/dbraw/zinc/68/02/69/1020680269.db2.gz UGAPZZUZIPRCLV-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO COc1ccc2[nH]cc(CC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c2c1 ZINC000340972955 1020715733 /nfs/dbraw/zinc/71/57/33/1020715733.db2.gz FYQJRBPVFFLRJW-UHFFFAOYSA-N 1 2 334.379 3.542 20 0 EHADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000581372856 1020755407 /nfs/dbraw/zinc/75/54/07/1020755407.db2.gz BAJRUUMKSHXONL-LBPRGKRZSA-N 1 2 325.334 3.906 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nc(C)c3ccccc3n2)C2CC2)cn1 ZINC000528848095 1032926126 /nfs/dbraw/zinc/92/61/26/1032926126.db2.gz AGPLLNBWHIDISE-FQEVSTJZSA-N 1 2 334.423 3.583 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069393766 1020777257 /nfs/dbraw/zinc/77/72/57/1020777257.db2.gz LVTATAGQBXHNOV-DNVCBOLYSA-N 1 2 349.434 3.838 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)[nH+]1 ZINC000069808193 1020804014 /nfs/dbraw/zinc/80/40/14/1020804014.db2.gz HBTMRJIYTXXYRC-CYBMUJFWSA-N 1 2 344.484 3.918 20 0 EHADLO CCn1cnc2c1CC[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000933256589 1020830044 /nfs/dbraw/zinc/83/00/44/1020830044.db2.gz NZHWGKDVFCGMLV-YLJYHZDGSA-N 1 2 325.456 3.572 20 0 EHADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000933256589 1020830052 /nfs/dbraw/zinc/83/00/52/1020830052.db2.gz NZHWGKDVFCGMLV-YLJYHZDGSA-N 1 2 325.456 3.572 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[C@H](C)C1 ZINC000558534812 1020848084 /nfs/dbraw/zinc/84/80/84/1020848084.db2.gz ADLYGZUPRCHZMD-HZUJVAHNSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1cc2c(s1)N(c1cc(N)c(F)cn1)c1ccccc1NC2=[NH2+] ZINC001167460298 1020866554 /nfs/dbraw/zinc/86/65/54/1020866554.db2.gz JCNHQYTVEKHWKK-UHFFFAOYSA-N 1 2 339.399 3.993 20 0 EHADLO CCc1oc(C[NH2+]Cc2c(F)cccc2SC)cc1C(=O)OC ZINC000348666888 1020902426 /nfs/dbraw/zinc/90/24/26/1020902426.db2.gz CCFVYLSKYWXEMD-UHFFFAOYSA-N 1 2 337.416 3.779 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000341078669 1020958179 /nfs/dbraw/zinc/95/81/79/1020958179.db2.gz WOEFULCIVRCFJC-LBPRGKRZSA-N 1 2 343.402 3.618 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000341078669 1020958189 /nfs/dbraw/zinc/95/81/89/1020958189.db2.gz WOEFULCIVRCFJC-LBPRGKRZSA-N 1 2 343.402 3.618 20 0 EHADLO Fc1ccc([C@@H]2CC[C@H]([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000276288750 1020997782 /nfs/dbraw/zinc/99/77/82/1020997782.db2.gz SRWAQGCMIFESQW-NEWSRXKRSA-N 1 2 336.414 3.959 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147028 1021010164 /nfs/dbraw/zinc/01/01/64/1021010164.db2.gz YKXOLGSFEMODOD-GHMZBOCLSA-N 1 2 345.306 3.685 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147028 1021010166 /nfs/dbraw/zinc/01/01/66/1021010166.db2.gz YKXOLGSFEMODOD-GHMZBOCLSA-N 1 2 345.306 3.685 20 0 EHADLO C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000341161484 1021032246 /nfs/dbraw/zinc/03/22/46/1021032246.db2.gz WKZHAXGOCDOFIX-OAHLLOKOSA-N 1 2 326.444 3.640 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000341176303 1021048065 /nfs/dbraw/zinc/04/80/65/1021048065.db2.gz IWLCVGZUZDXGHP-OKZBNKHCSA-N 1 2 338.455 3.640 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000341178129 1021048540 /nfs/dbraw/zinc/04/85/40/1021048540.db2.gz KVVGHSDCSGZXKN-LJQANCHMSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581545476 1021073134 /nfs/dbraw/zinc/07/31/34/1021073134.db2.gz NYPUEHYEJIFRMH-FPOVZHCZSA-N 1 2 336.410 3.848 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)c1cscn1 ZINC000656681346 1021159596 /nfs/dbraw/zinc/15/95/96/1021159596.db2.gz DORJXHKLHNHGOS-MCIONIFRSA-N 1 2 329.469 3.550 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000341242192 1021162077 /nfs/dbraw/zinc/16/20/77/1021162077.db2.gz ZREPPEQYGNXFCW-GVDBMIGSSA-N 1 2 330.476 3.542 20 0 EHADLO Cc1ccc(-c2ccc(C[NH+]3CCN(C(=O)C(C)(C)C)CC3)o2)cc1 ZINC000506497501 1021183077 /nfs/dbraw/zinc/18/30/77/1021183077.db2.gz YEZKRCSUYPQBSX-UHFFFAOYSA-N 1 2 340.467 3.945 20 0 EHADLO O[C@H](C[NH+](Cc1ccco1)Cc1ccco1)c1c(F)cccc1F ZINC000051126552 1021223752 /nfs/dbraw/zinc/22/37/52/1021223752.db2.gz NWSXCPUYMGJWKS-QGZVFWFLSA-N 1 2 333.334 3.887 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc2[nH]ccc21 ZINC000510441242 1021242213 /nfs/dbraw/zinc/24/22/13/1021242213.db2.gz FMQNARFYNQNDSS-UHFFFAOYSA-N 1 2 342.826 3.997 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc2[nH]ccc21 ZINC000510441242 1021242220 /nfs/dbraw/zinc/24/22/20/1021242220.db2.gz FMQNARFYNQNDSS-UHFFFAOYSA-N 1 2 342.826 3.997 20 0 EHADLO Cc1nnc(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)[nH]1 ZINC000507418839 1021248969 /nfs/dbraw/zinc/24/89/69/1021248969.db2.gz BSYILBBTLHVMSV-SFHVURJKSA-N 1 2 344.821 3.827 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(Cl)c1OCC(F)F)n1cc[nH+]c1 ZINC000519605006 1021259294 /nfs/dbraw/zinc/25/92/94/1021259294.db2.gz KPJQHZNOIXQYSW-SNVBAGLBSA-N 1 2 343.761 3.770 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000516297958 1021266623 /nfs/dbraw/zinc/26/66/23/1021266623.db2.gz UTXHZOJYQXLDOC-KXBFYZLASA-N 1 2 329.419 3.597 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000507468385 1021282260 /nfs/dbraw/zinc/28/22/60/1021282260.db2.gz GYSSCTANJMUQBG-HNNXBMFYSA-N 1 2 336.439 3.689 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1cnc(N(C)C)nc1)C1CC1 ZINC000506537007 1021310186 /nfs/dbraw/zinc/31/01/86/1021310186.db2.gz FZGAUUZPNGGFHA-ZDUSSCGKSA-N 1 2 330.863 3.922 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cnc(N(C)C)nc1)C1CC1 ZINC000506537007 1021310204 /nfs/dbraw/zinc/31/02/04/1021310204.db2.gz FZGAUUZPNGGFHA-ZDUSSCGKSA-N 1 2 330.863 3.922 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000505895805 1021347009 /nfs/dbraw/zinc/34/70/09/1021347009.db2.gz ZMVALAPTIXXCRC-UJWQCDCRSA-N 1 2 341.499 3.629 20 0 EHADLO Cc1ccc(O)c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000436904257 1021347749 /nfs/dbraw/zinc/34/77/49/1021347749.db2.gz WGUWFQVXQNIKNM-UHFFFAOYSA-N 1 2 332.363 3.662 20 0 EHADLO CC1(C)CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000507566104 1021365784 /nfs/dbraw/zinc/36/57/84/1021365784.db2.gz LCRLBNRQYZCGJT-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO Fc1ccc(C2(CNc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000518602808 1021366370 /nfs/dbraw/zinc/36/63/70/1021366370.db2.gz NKPAPRLEZYBGQY-UHFFFAOYSA-N 1 2 326.419 3.750 20 0 EHADLO Fc1ccc(C2(CNc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000518602808 1021366388 /nfs/dbraw/zinc/36/63/88/1021366388.db2.gz NKPAPRLEZYBGQY-UHFFFAOYSA-N 1 2 326.419 3.750 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000516390498 1021384898 /nfs/dbraw/zinc/38/48/98/1021384898.db2.gz YEAACDITGYUEBM-QFBILLFUSA-N 1 2 325.456 3.764 20 0 EHADLO CCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000518641034 1021385392 /nfs/dbraw/zinc/38/53/92/1021385392.db2.gz KNWACUHZDGUUJG-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1O ZINC000426364724 1021387098 /nfs/dbraw/zinc/38/70/98/1021387098.db2.gz JGAQBUORVSKXTD-HNNXBMFYSA-N 1 2 341.455 3.829 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000664873277 1021393840 /nfs/dbraw/zinc/39/38/40/1021393840.db2.gz YQBYUBJJFSQUDK-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000664873277 1021393861 /nfs/dbraw/zinc/39/38/61/1021393861.db2.gz YQBYUBJJFSQUDK-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000760471936 1032978454 /nfs/dbraw/zinc/97/84/54/1032978454.db2.gz WZVSEGOKVHUQQP-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1(c2ccccc2)CC1 ZINC000341340390 1021464443 /nfs/dbraw/zinc/46/44/43/1021464443.db2.gz DQCOTNPIZPRWFM-IBGZPJMESA-N 1 2 345.446 3.780 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449654134 1032981810 /nfs/dbraw/zinc/98/18/10/1032981810.db2.gz DODLCUDKHDNAFA-CVEARBPZSA-N 1 2 330.463 3.734 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000015442401 1021473143 /nfs/dbraw/zinc/47/31/43/1021473143.db2.gz GEVSYZQYBFLAFB-UHFFFAOYSA-N 1 2 327.468 3.913 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000015442401 1021473160 /nfs/dbraw/zinc/47/31/60/1021473160.db2.gz GEVSYZQYBFLAFB-UHFFFAOYSA-N 1 2 327.468 3.913 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(Oc2ccc(Cl)cc2)CC1 ZINC000341343751 1021476363 /nfs/dbraw/zinc/47/63/63/1021476363.db2.gz MRXLCDSRENIBQS-UHFFFAOYSA-N 1 2 327.771 3.538 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1F ZINC000579009621 1021490597 /nfs/dbraw/zinc/49/05/97/1021490597.db2.gz CJXKJLMFSLGGOC-YVEFUNNKSA-N 1 2 349.837 3.752 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cccs2)c(Br)c1 ZINC000439484683 1021493532 /nfs/dbraw/zinc/49/35/32/1021493532.db2.gz FZAQRAWXTBGWOY-UHFFFAOYSA-N 1 2 340.286 3.814 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cccs2)c(Br)c1 ZINC000439484683 1021493539 /nfs/dbraw/zinc/49/35/39/1021493539.db2.gz FZAQRAWXTBGWOY-UHFFFAOYSA-N 1 2 340.286 3.814 20 0 EHADLO CC(C)Cn1nccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000647173166 1021512419 /nfs/dbraw/zinc/51/24/19/1021512419.db2.gz XAGHSCPDNBYFEQ-UHFFFAOYSA-N 1 2 349.482 3.503 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC001143579805 1021524312 /nfs/dbraw/zinc/52/43/12/1021524312.db2.gz QNIROBGDYUJGLU-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC001143579805 1021524323 /nfs/dbraw/zinc/52/43/23/1021524323.db2.gz QNIROBGDYUJGLU-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO Cc1nnsc1C[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000518777125 1021536024 /nfs/dbraw/zinc/53/60/24/1021536024.db2.gz SEGFBDMHOZBUSW-UHFFFAOYSA-N 1 2 327.453 3.993 20 0 EHADLO Cc1nnsc1C[N@@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000518777125 1021536033 /nfs/dbraw/zinc/53/60/33/1021536033.db2.gz SEGFBDMHOZBUSW-UHFFFAOYSA-N 1 2 327.453 3.993 20 0 EHADLO COC(=O)c1sc(-c2ccccc2)cc1OCc1c[nH+]cn1C ZINC000439563841 1021559736 /nfs/dbraw/zinc/55/97/36/1021559736.db2.gz WBKHTKUFDCZZIN-UHFFFAOYSA-N 1 2 328.393 3.514 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000518783470 1021571992 /nfs/dbraw/zinc/57/19/92/1021571992.db2.gz MQEXICFMXMQPGU-HKUYNNGSSA-N 1 2 343.515 3.589 20 0 EHADLO CCN(c1cc[nH+]c(NCc2ccc3nc[nH]c3c2)n1)C1CCCC1 ZINC000516590124 1021583811 /nfs/dbraw/zinc/58/38/11/1021583811.db2.gz LSMLADSVVGMSCJ-UHFFFAOYSA-N 1 2 336.443 3.734 20 0 EHADLO CC(C)(C)c1ccc(-c2csc(NC(=O)[C@H]3CSC[NH2+]3)n2)cc1 ZINC000506632958 1021599350 /nfs/dbraw/zinc/59/93/50/1021599350.db2.gz VSCGNWFVTOZFAC-CQSZACIVSA-N 1 2 347.509 3.709 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000352549322 1021604800 /nfs/dbraw/zinc/60/48/00/1021604800.db2.gz ARJRTRBGPFKSSE-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO CCN(CC)C(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000352549322 1021604805 /nfs/dbraw/zinc/60/48/05/1021604805.db2.gz ARJRTRBGPFKSSE-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518841902 1021619788 /nfs/dbraw/zinc/61/97/88/1021619788.db2.gz MVDDMBMSAMDDIH-QFBILLFUSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)c3ccc(OC(C)C)cc3)[nH+]c12 ZINC000519857797 1021730354 /nfs/dbraw/zinc/73/03/54/1021730354.db2.gz DPPKEVYWPKBBBM-UHFFFAOYSA-N 1 2 337.423 3.635 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ncnn2CCF)cc1 ZINC000440716731 1021735452 /nfs/dbraw/zinc/73/54/52/1021735452.db2.gz ZBVNYHDZFAJWOY-KRWDZBQOSA-N 1 2 330.451 3.882 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ncnn2CCF)cc1 ZINC000440716731 1021735468 /nfs/dbraw/zinc/73/54/68/1021735468.db2.gz ZBVNYHDZFAJWOY-KRWDZBQOSA-N 1 2 330.451 3.882 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437355166 1021752605 /nfs/dbraw/zinc/75/26/05/1021752605.db2.gz UIBYQOBLRDVZFQ-BLLLJJGKSA-N 1 2 341.860 3.505 20 0 EHADLO Cc1[nH+]cc(CN2CCOc3ccc(F)cc3C2)n1-c1ccccc1 ZINC000426513250 1021777314 /nfs/dbraw/zinc/77/73/14/1021777314.db2.gz HAGGEHNADHUFOV-UHFFFAOYSA-N 1 2 337.398 3.714 20 0 EHADLO NC(=O)Nc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000341414791 1021785916 /nfs/dbraw/zinc/78/59/16/1021785916.db2.gz BBVAZYODERFJIQ-UHFFFAOYSA-N 1 2 326.787 3.991 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+](C)Cc3cccc(OC)c3)o2)cc1 ZINC000140460032 1033004448 /nfs/dbraw/zinc/00/44/48/1033004448.db2.gz VQVPOWRQBYAOIX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+](C)Cc3cccc(OC)c3)o2)cc1 ZINC000140460032 1033004464 /nfs/dbraw/zinc/00/44/64/1033004464.db2.gz VQVPOWRQBYAOIX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc3cccnc32)c1C ZINC000051234590 1021836317 /nfs/dbraw/zinc/83/63/17/1021836317.db2.gz LPHWAQNOVQAHST-UHFFFAOYSA-N 1 2 336.395 3.577 20 0 EHADLO O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000519993073 1021840180 /nfs/dbraw/zinc/84/01/80/1021840180.db2.gz MLFQYXMWDNVFGT-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)n2)c(C)o1 ZINC000516936287 1021870326 /nfs/dbraw/zinc/87/03/26/1021870326.db2.gz VYHNRHZIOIQQOW-VIFPVBQESA-N 1 2 330.413 3.560 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)n2)c(C)o1 ZINC000516936287 1021870335 /nfs/dbraw/zinc/87/03/35/1021870335.db2.gz VYHNRHZIOIQQOW-VIFPVBQESA-N 1 2 330.413 3.560 20 0 EHADLO Brc1cncc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000341431832 1021871409 /nfs/dbraw/zinc/87/14/09/1021871409.db2.gz KZIUTPUNGODJOC-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO CCOCCC1(CNc2cc(N3CCCCC3)nc[nH+]2)CCCC1 ZINC000471729314 1021872218 /nfs/dbraw/zinc/87/22/18/1021872218.db2.gz UJIHEJFVSRRYNE-UHFFFAOYSA-N 1 2 332.492 3.866 20 0 EHADLO CCOCCC1(CNc2cc(N3CCCCC3)[nH+]cn2)CCCC1 ZINC000471729314 1021872232 /nfs/dbraw/zinc/87/22/32/1021872232.db2.gz UJIHEJFVSRRYNE-UHFFFAOYSA-N 1 2 332.492 3.866 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000519213393 1021935178 /nfs/dbraw/zinc/93/51/78/1021935178.db2.gz VVBJNVOGMKCJSL-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000519213393 1021935189 /nfs/dbraw/zinc/93/51/89/1021935189.db2.gz VVBJNVOGMKCJSL-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)no1 ZINC000441039891 1021937468 /nfs/dbraw/zinc/93/74/68/1021937468.db2.gz WLJKTIWFCWNQFU-HNAYVOBHSA-N 1 2 349.434 3.869 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)no1 ZINC000441039891 1021937483 /nfs/dbraw/zinc/93/74/83/1021937483.db2.gz WLJKTIWFCWNQFU-HNAYVOBHSA-N 1 2 349.434 3.869 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000897627999 1033018031 /nfs/dbraw/zinc/01/80/31/1033018031.db2.gz ZUGROUIPUWBIKH-NVXWUHKLSA-N 1 2 329.419 3.518 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000440102299 1021953580 /nfs/dbraw/zinc/95/35/80/1021953580.db2.gz KMVGGDHFRAWLCH-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO COCCOCCN(Cc1ccccc1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000471749151 1021969709 /nfs/dbraw/zinc/96/97/09/1021969709.db2.gz ZUXSJQLEMHZXRB-UHFFFAOYSA-N 1 2 343.471 3.578 20 0 EHADLO Fc1cccc2[nH]c(C[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000437584353 1021977400 /nfs/dbraw/zinc/97/74/00/1021977400.db2.gz ZVRHHZYFOBLOPT-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO COc1cc(CNc2cc(C)[nH+]c(C3CCC3)n2)cc(OC)c1OC ZINC000891582196 1021983603 /nfs/dbraw/zinc/98/36/03/1021983603.db2.gz OTTQNMDZJPJFNI-UHFFFAOYSA-N 1 2 343.427 3.690 20 0 EHADLO c1ccc2c(c1)CC[C@@]1(CC[N@@H+](Cc3nc(C4CCCC4)no3)C1)O2 ZINC000517059717 1021987499 /nfs/dbraw/zinc/98/74/99/1021987499.db2.gz WJZNLEXTKOYQRA-FQEVSTJZSA-N 1 2 339.439 3.697 20 0 EHADLO c1ccc2c(c1)CC[C@@]1(CC[N@H+](Cc3nc(C4CCCC4)no3)C1)O2 ZINC000517059717 1021987508 /nfs/dbraw/zinc/98/75/08/1021987508.db2.gz WJZNLEXTKOYQRA-FQEVSTJZSA-N 1 2 339.439 3.697 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nccc(C)n2)ccc1OCC(C)C ZINC000341480261 1022031668 /nfs/dbraw/zinc/03/16/68/1022031668.db2.gz ZPXYIZJKXLITAM-HNNXBMFYSA-N 1 2 329.444 3.679 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cscn2)c2ccccc21 ZINC000593690616 1033024652 /nfs/dbraw/zinc/02/46/52/1033024652.db2.gz LVWBPQLYYJBXBR-HZPDHXFCSA-N 1 2 330.453 3.803 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Cc2ccccc2)CC1 ZINC000437659294 1022036332 /nfs/dbraw/zinc/03/63/32/1022036332.db2.gz PRYYDRFNPQEOMZ-UHFFFAOYSA-N 1 2 335.382 3.973 20 0 EHADLO Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684440558 1022073205 /nfs/dbraw/zinc/07/32/05/1022073205.db2.gz MIDGSURYCAAFES-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO COc1ncc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000638706886 1022105212 /nfs/dbraw/zinc/10/52/12/1022105212.db2.gz JPNOWLNGEWSHPF-JTQLQIEISA-N 1 2 331.224 3.682 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000517210447 1022119260 /nfs/dbraw/zinc/11/92/60/1022119260.db2.gz USVFIYZVPBSDTA-SJLPKXTDSA-N 1 2 334.529 3.919 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322699 1022151365 /nfs/dbraw/zinc/15/13/65/1022151365.db2.gz KRVIHMQXAQSCFX-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322699 1022151372 /nfs/dbraw/zinc/15/13/72/1022151372.db2.gz KRVIHMQXAQSCFX-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000564402327 1022152018 /nfs/dbraw/zinc/15/20/18/1022152018.db2.gz NZVYBKCFRQRLGR-CYBMUJFWSA-N 1 2 338.274 3.946 20 0 EHADLO Cc1nnsc1C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000564402327 1022152025 /nfs/dbraw/zinc/15/20/25/1022152025.db2.gz NZVYBKCFRQRLGR-CYBMUJFWSA-N 1 2 338.274 3.946 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)cs1 ZINC000520350500 1022167392 /nfs/dbraw/zinc/16/73/92/1022167392.db2.gz NYNJEYIPMTUBJB-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H]2c2ccccc2C)cs1 ZINC000520350500 1022167396 /nfs/dbraw/zinc/16/73/96/1022167396.db2.gz NYNJEYIPMTUBJB-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591667 1022224959 /nfs/dbraw/zinc/22/49/59/1022224959.db2.gz IGUYCKQXQNZSQV-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591667 1022224963 /nfs/dbraw/zinc/22/49/63/1022224963.db2.gz IGUYCKQXQNZSQV-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000075683571 1022249141 /nfs/dbraw/zinc/24/91/41/1022249141.db2.gz XZCKUNSDSICCQR-HIFRSBDPSA-N 1 2 337.464 3.505 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000075683571 1022249152 /nfs/dbraw/zinc/24/91/52/1022249152.db2.gz XZCKUNSDSICCQR-HIFRSBDPSA-N 1 2 337.464 3.505 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c(Cl)c1 ZINC000437890189 1022249313 /nfs/dbraw/zinc/24/93/13/1022249313.db2.gz MCIRIHILPIBYLK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)c(Cl)c1 ZINC000437890189 1022249314 /nfs/dbraw/zinc/24/93/14/1022249314.db2.gz MCIRIHILPIBYLK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c2c([nH+]1)CCCC2 ZINC000894922821 1022256990 /nfs/dbraw/zinc/25/69/90/1022256990.db2.gz SBVRAPZSJMNDTD-IBGZPJMESA-N 1 2 335.451 3.832 20 0 EHADLO CCOCc1nc(Cl)cc(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000891675793 1022283848 /nfs/dbraw/zinc/28/38/48/1022283848.db2.gz XXTCUURLIDZGDV-UHFFFAOYSA-N 1 2 347.850 3.795 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cc(F)ccc1F ZINC000607213792 1033043680 /nfs/dbraw/zinc/04/36/80/1033043680.db2.gz WZOFCEGRTCLYAX-HNNXBMFYSA-N 1 2 330.338 3.885 20 0 EHADLO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000473918141 1022287313 /nfs/dbraw/zinc/28/73/13/1022287313.db2.gz BEOQBIKQZIPBKB-SFHVURJKSA-N 1 2 330.476 3.821 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000519544164 1022316460 /nfs/dbraw/zinc/31/64/60/1022316460.db2.gz IBNJBMLUGXSRPY-KRWDZBQOSA-N 1 2 329.831 3.854 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cccnc2s1 ZINC000341574185 1022356857 /nfs/dbraw/zinc/35/68/57/1022356857.db2.gz GLTBBRAUXRAGNH-SFDCACGMSA-N 1 2 345.493 3.622 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cccnc2s1 ZINC000341574185 1022356873 /nfs/dbraw/zinc/35/68/73/1022356873.db2.gz GLTBBRAUXRAGNH-SFDCACGMSA-N 1 2 345.493 3.622 20 0 EHADLO CCC[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000528906961 1033048664 /nfs/dbraw/zinc/04/86/64/1033048664.db2.gz NUGZOJDLNZJKRT-DOTOQJQBSA-N 1 2 345.874 3.973 20 0 EHADLO Cc1ccc2cc([C@H](C)[NH2+]Cc3nnnn3-c3ccccc3)oc2c1 ZINC000425946904 1022377149 /nfs/dbraw/zinc/37/71/49/1022377149.db2.gz YGDIWEHYCSIQIH-AWEZNQCLSA-N 1 2 333.395 3.568 20 0 EHADLO CC(C)C1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000458894467 1022445007 /nfs/dbraw/zinc/44/50/07/1022445007.db2.gz YPYSXDUIBDHOBI-UHFFFAOYSA-N 1 2 332.835 3.514 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ocnc1C1CC1 ZINC000341591968 1022450640 /nfs/dbraw/zinc/45/06/40/1022450640.db2.gz MNXUBWVODJHVQC-UHFFFAOYSA-N 1 2 328.759 3.643 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000341594166 1022466698 /nfs/dbraw/zinc/46/66/98/1022466698.db2.gz XMJRVQINFITSMF-KBPBESRZSA-N 1 2 341.436 3.928 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nccn3C3CC3)CC2)c(F)c1 ZINC000891727833 1022474632 /nfs/dbraw/zinc/47/46/32/1022474632.db2.gz FZBMRTXAFLYYEO-UHFFFAOYSA-N 1 2 333.382 3.540 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccco2)s1)[C@@H](CC)C(=O)OCC ZINC000425965641 1022497683 /nfs/dbraw/zinc/49/76/83/1022497683.db2.gz JFFNRTMZQDEYIQ-AWEZNQCLSA-N 1 2 336.457 3.957 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccco2)s1)[C@@H](CC)C(=O)OCC ZINC000425965641 1022497688 /nfs/dbraw/zinc/49/76/88/1022497688.db2.gz JFFNRTMZQDEYIQ-AWEZNQCLSA-N 1 2 336.457 3.957 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827998 1022507930 /nfs/dbraw/zinc/50/79/30/1022507930.db2.gz AZIDQVBMIGJEAO-CGTJXYLNSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827998 1022507942 /nfs/dbraw/zinc/50/79/42/1022507942.db2.gz AZIDQVBMIGJEAO-CGTJXYLNSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828001 1022509285 /nfs/dbraw/zinc/50/92/85/1022509285.db2.gz AZIDQVBMIGJEAO-JQHSSLGASA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828001 1022509290 /nfs/dbraw/zinc/50/92/90/1022509290.db2.gz AZIDQVBMIGJEAO-JQHSSLGASA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000086364024 1022512206 /nfs/dbraw/zinc/51/22/06/1022512206.db2.gz COZLXXLYWZCKSG-MRXNPFEDSA-N 1 2 340.471 3.650 20 0 EHADLO COC(=O)c1ccc(C)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438291725 1022526312 /nfs/dbraw/zinc/52/63/12/1022526312.db2.gz KQIOBHQFHNWHJK-UHFFFAOYSA-N 1 2 335.407 3.639 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCCc1cccc(F)c1 ZINC000438294218 1022527618 /nfs/dbraw/zinc/52/76/18/1022527618.db2.gz RCDXWQALZDPRHK-IBGZPJMESA-N 1 2 329.415 3.522 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc4nccn43)n2)cc1 ZINC000276738320 1022527489 /nfs/dbraw/zinc/52/74/89/1022527489.db2.gz IJSSVMJCOHWUKP-AWEZNQCLSA-N 1 2 347.422 3.798 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)NCc3cccc4[nH+]ccn43)n2)cc1 ZINC000276738320 1022527500 /nfs/dbraw/zinc/52/75/00/1022527500.db2.gz IJSSVMJCOHWUKP-AWEZNQCLSA-N 1 2 347.422 3.798 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1(CC)CC ZINC000894556929 1022530532 /nfs/dbraw/zinc/53/05/32/1022530532.db2.gz OSVGEXVIRIHMGA-QLFBSQMISA-N 1 2 339.480 3.629 20 0 EHADLO O=C(CCc1cccc(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000517659546 1022541454 /nfs/dbraw/zinc/54/14/54/1022541454.db2.gz MGGUQMZYWOHMKO-UHFFFAOYSA-N 1 2 339.826 3.775 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)OCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000536295225 1022551190 /nfs/dbraw/zinc/55/11/90/1022551190.db2.gz OFWVQKGIXOKGNH-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[C@@H]1c1ccccc1)C2 ZINC000476228889 1033066005 /nfs/dbraw/zinc/06/60/05/1033066005.db2.gz YGIKDXFCVLOHTP-ZSZQSSIHSA-N 1 2 337.467 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@@H]1c1ccccc1)CC2 ZINC000476228889 1033066023 /nfs/dbraw/zinc/06/60/23/1033066023.db2.gz YGIKDXFCVLOHTP-ZSZQSSIHSA-N 1 2 337.467 3.858 20 0 EHADLO CCc1ncc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000517712654 1022602269 /nfs/dbraw/zinc/60/22/69/1022602269.db2.gz XOURLZXYBSBCQR-UHFFFAOYSA-N 1 2 333.439 3.851 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2ncc(C(=O)OC)s2)cc1 ZINC000894634215 1022647015 /nfs/dbraw/zinc/64/70/15/1022647015.db2.gz DEYYMGMFUCMDNR-UHFFFAOYSA-N 1 2 348.468 3.743 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2cccc(O)c2)cn1 ZINC000430779983 1022685889 /nfs/dbraw/zinc/68/58/89/1022685889.db2.gz HZGQISNLHUWAEZ-UHFFFAOYSA-N 1 2 341.842 3.982 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2cccc(O)c2)cn1 ZINC000430779983 1022685893 /nfs/dbraw/zinc/68/58/93/1022685893.db2.gz HZGQISNLHUWAEZ-UHFFFAOYSA-N 1 2 341.842 3.982 20 0 EHADLO COc1cc(C)cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1OC ZINC000894659858 1022692308 /nfs/dbraw/zinc/69/23/08/1022692308.db2.gz DOKZXDNLAHUTGN-UHFFFAOYSA-N 1 2 329.444 3.558 20 0 EHADLO COc1cc(C)cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1OC ZINC000894659858 1022692315 /nfs/dbraw/zinc/69/23/15/1022692315.db2.gz DOKZXDNLAHUTGN-UHFFFAOYSA-N 1 2 329.444 3.558 20 0 EHADLO CC(C)[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011176 1022707165 /nfs/dbraw/zinc/70/71/65/1022707165.db2.gz NXDNGUWZCMMQHX-SPUZQDLCSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011176 1022707176 /nfs/dbraw/zinc/70/71/76/1022707176.db2.gz NXDNGUWZCMMQHX-SPUZQDLCSA-N 1 2 341.455 3.791 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C(F)=C3CCC3)n2)O1 ZINC000665013213 1022733426 /nfs/dbraw/zinc/73/34/26/1022733426.db2.gz XHITXTBQNPSTBW-CJNGLKHVSA-N 1 2 343.402 3.896 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C(F)=C3CCC3)n2)O1 ZINC000665013213 1022733433 /nfs/dbraw/zinc/73/34/33/1022733433.db2.gz XHITXTBQNPSTBW-CJNGLKHVSA-N 1 2 343.402 3.896 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699022 1022754650 /nfs/dbraw/zinc/75/46/50/1022754650.db2.gz DWRPPAOTBZGDDP-YNEHKIRRSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699022 1022754663 /nfs/dbraw/zinc/75/46/63/1022754663.db2.gz DWRPPAOTBZGDDP-YNEHKIRRSA-N 1 2 334.407 3.677 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc1F ZINC000008309168 1022763769 /nfs/dbraw/zinc/76/37/69/1022763769.db2.gz FQCRCWLTOTWDSO-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc1F ZINC000008309168 1022763783 /nfs/dbraw/zinc/76/37/83/1022763783.db2.gz FQCRCWLTOTWDSO-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510620006 1022768484 /nfs/dbraw/zinc/76/84/84/1022768484.db2.gz PWPNASCKJZAVSP-IRXDYDNUSA-N 1 2 342.266 3.862 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510620006 1022768497 /nfs/dbraw/zinc/76/84/97/1022768497.db2.gz PWPNASCKJZAVSP-IRXDYDNUSA-N 1 2 342.266 3.862 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000112089841 1022780532 /nfs/dbraw/zinc/78/05/32/1022780532.db2.gz KWUZBKPVPCTGPX-INIZCTEOSA-N 1 2 331.485 3.768 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000112089841 1022780542 /nfs/dbraw/zinc/78/05/42/1022780542.db2.gz KWUZBKPVPCTGPX-INIZCTEOSA-N 1 2 331.485 3.768 20 0 EHADLO COCc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1 ZINC000550238647 1022827749 /nfs/dbraw/zinc/82/77/49/1022827749.db2.gz BYMHJSWTHJVSKR-INIZCTEOSA-N 1 2 331.378 3.765 20 0 EHADLO COCc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1 ZINC000550238647 1022827767 /nfs/dbraw/zinc/82/77/67/1022827767.db2.gz BYMHJSWTHJVSKR-INIZCTEOSA-N 1 2 331.378 3.765 20 0 EHADLO COc1ccc(F)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510670806 1022858330 /nfs/dbraw/zinc/85/83/30/1022858330.db2.gz XZMIIECAVLIVJJ-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO COc1ccc(F)cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510670806 1022858340 /nfs/dbraw/zinc/85/83/40/1022858340.db2.gz XZMIIECAVLIVJJ-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO CCn1cc(C[NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)c(C)n1 ZINC000894787705 1022913806 /nfs/dbraw/zinc/91/38/06/1022913806.db2.gz JZQBMAGNDDBTRM-LJQANCHMSA-N 1 2 325.412 3.692 20 0 EHADLO Clc1ccc(C2(C[NH2+][C@@H](c3cccs3)c3nnc[nH]3)CC2)cc1 ZINC000293834779 1022922663 /nfs/dbraw/zinc/92/26/63/1022922663.db2.gz SOUYHKOHEBDTOM-HNNXBMFYSA-N 1 2 344.871 3.930 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc(F)cc3Cl)[nH+]c12 ZINC000518041840 1022953190 /nfs/dbraw/zinc/95/31/90/1022953190.db2.gz ZACXYOKZACFRAW-UHFFFAOYSA-N 1 2 345.805 3.636 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000426145291 1022988316 /nfs/dbraw/zinc/98/83/16/1022988316.db2.gz JECBCMFUORJKGP-BOLDSZDNSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000426145291 1022988326 /nfs/dbraw/zinc/98/83/26/1022988326.db2.gz JECBCMFUORJKGP-BOLDSZDNSA-N 1 2 346.272 3.860 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000426732638 1023002766 /nfs/dbraw/zinc/00/27/66/1023002766.db2.gz JFRDGUBXBSSDFI-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438831357 1023049073 /nfs/dbraw/zinc/04/90/73/1023049073.db2.gz BQSSZHATDQNPFL-IRXDYDNUSA-N 1 2 337.448 3.662 20 0 EHADLO CC[N@@H+](Cc1cccc(O)c1Cl)C[C@@H]1COc2ccccc2O1 ZINC000506977692 1023058306 /nfs/dbraw/zinc/05/83/06/1023058306.db2.gz SSSYSXAXIYGLBZ-CQSZACIVSA-N 1 2 333.815 3.708 20 0 EHADLO CC[N@H+](Cc1cccc(O)c1Cl)C[C@@H]1COc2ccccc2O1 ZINC000506977692 1023058319 /nfs/dbraw/zinc/05/83/19/1023058319.db2.gz SSSYSXAXIYGLBZ-CQSZACIVSA-N 1 2 333.815 3.708 20 0 EHADLO C[C@@H]1CC=CC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000341704658 1023072888 /nfs/dbraw/zinc/07/28/88/1023072888.db2.gz WYRQZQOTVIYCLK-QAPCUYQASA-N 1 2 327.472 3.528 20 0 EHADLO CC(C)c1cc(N2CCC(O)(C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000090141021 1023075040 /nfs/dbraw/zinc/07/50/40/1023075040.db2.gz HGYJKRCOJWTRSK-UHFFFAOYSA-N 1 2 331.382 3.617 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc(-c2cccnc2)s1 ZINC000536380072 1023113390 /nfs/dbraw/zinc/11/33/90/1023113390.db2.gz ZQHHUXLUPTXMNF-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000366740283 1023157724 /nfs/dbraw/zinc/15/77/24/1023157724.db2.gz TVPKEQRZCLCTMR-FQNOHDAGSA-N 1 2 329.831 3.873 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933285 1033111041 /nfs/dbraw/zinc/11/10/41/1033111041.db2.gz PFGJWWXFWULXHL-GFJSAUFNSA-N 1 2 348.393 3.613 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933285 1033111047 /nfs/dbraw/zinc/11/10/47/1033111047.db2.gz PFGJWWXFWULXHL-GFJSAUFNSA-N 1 2 348.393 3.613 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3sccc3C2)CCN1c1cccc(Cl)c1 ZINC000426377096 1023191807 /nfs/dbraw/zinc/19/18/07/1023191807.db2.gz MHJJGPDDQXPARX-OAHLLOKOSA-N 1 2 332.856 3.565 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3sccc3C2)CCN1c1cccc(Cl)c1 ZINC000426377096 1023191819 /nfs/dbraw/zinc/19/18/19/1023191819.db2.gz MHJJGPDDQXPARX-OAHLLOKOSA-N 1 2 332.856 3.565 20 0 EHADLO CC[N@H+](Cc1cnc(C)nc1)Cc1cc(Br)ccc1F ZINC000350277335 1023197777 /nfs/dbraw/zinc/19/77/77/1023197777.db2.gz CYIHKUQAIAHYBV-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CC[N@@H+](Cc1cnc(C)nc1)Cc1cc(Br)ccc1F ZINC000350277335 1023197784 /nfs/dbraw/zinc/19/77/84/1023197784.db2.gz CYIHKUQAIAHYBV-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CCNC(=O)C[N@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1 ZINC000507324064 1023249274 /nfs/dbraw/zinc/24/92/74/1023249274.db2.gz IKHJOMBSVGIADP-CKOAPEAFSA-N 1 2 334.463 3.851 20 0 EHADLO CCNC(=O)C[N@@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1 ZINC000507324064 1023249281 /nfs/dbraw/zinc/24/92/81/1023249281.db2.gz IKHJOMBSVGIADP-CKOAPEAFSA-N 1 2 334.463 3.851 20 0 EHADLO CCCC[C@H](CC)COCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001168112512 1033116689 /nfs/dbraw/zinc/11/66/89/1033116689.db2.gz KFHOYLTZSTZDNK-KRWDZBQOSA-N 1 2 335.492 3.753 20 0 EHADLO Clc1ccc(/C=C/C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000895071975 1023253422 /nfs/dbraw/zinc/25/34/22/1023253422.db2.gz ZQUWNYWZHLGVPA-OWOJBTEDSA-N 1 2 343.858 3.640 20 0 EHADLO Clc1ccc(/C=C/C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000895071975 1023253429 /nfs/dbraw/zinc/25/34/29/1023253429.db2.gz ZQUWNYWZHLGVPA-OWOJBTEDSA-N 1 2 343.858 3.640 20 0 EHADLO CN(C)C(=O)C[NH+](C/C=C\c1ccccc1)C/C=C\c1ccccc1 ZINC000507345069 1023257175 /nfs/dbraw/zinc/25/71/75/1023257175.db2.gz FUHQEZGRNXIUPC-VULZFCBJSA-N 1 2 334.463 3.803 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(/C)c2ccc(F)cc2)c1C ZINC000058958864 1033117717 /nfs/dbraw/zinc/11/77/17/1033117717.db2.gz HLRRBHHGPBOOET-RAXLEYEMSA-N 1 2 342.414 3.908 20 0 EHADLO Cc1cscc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000426275347 1023263837 /nfs/dbraw/zinc/26/38/37/1023263837.db2.gz GFISTZZPIHWDPR-CQSZACIVSA-N 1 2 349.525 3.706 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)ccc1F ZINC000684554320 1023269232 /nfs/dbraw/zinc/26/92/32/1023269232.db2.gz VZRWYVRWBKAOIR-HNNXBMFYSA-N 1 2 325.428 3.974 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCSC[C@H]2c2ccccc2)c[nH+]1 ZINC000459085079 1023273034 /nfs/dbraw/zinc/27/30/34/1023273034.db2.gz VDTFDWYGWORMHO-SFHVURJKSA-N 1 2 341.480 3.698 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(-c2ccoc2)n1 ZINC000341762074 1023279405 /nfs/dbraw/zinc/27/94/05/1023279405.db2.gz UBCQRPJIEKYLTM-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)ccn12 ZINC000518394625 1023283200 /nfs/dbraw/zinc/28/32/00/1023283200.db2.gz VTXQPSRGQSOSOJ-CRAIPNDOSA-N 1 2 333.435 3.969 20 0 EHADLO Fc1cccnc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000341815380 1023368831 /nfs/dbraw/zinc/36/88/31/1023368831.db2.gz XJNOUVFVHDALKQ-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cn1ncc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c1C1CC1 ZINC000891918029 1023399494 /nfs/dbraw/zinc/39/94/94/1023399494.db2.gz NSQXTJBKZWEEPT-UHFFFAOYSA-N 1 2 337.423 3.799 20 0 EHADLO Cn1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c1C1CC1 ZINC000891918029 1023399503 /nfs/dbraw/zinc/39/95/03/1023399503.db2.gz NSQXTJBKZWEEPT-UHFFFAOYSA-N 1 2 337.423 3.799 20 0 EHADLO COc1cccc(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)c1 ZINC000180904625 1023519945 /nfs/dbraw/zinc/51/99/45/1023519945.db2.gz QZBUMELVJJJUSG-HNNXBMFYSA-N 1 2 337.423 3.720 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c(C)c[nH+]1 ZINC000535749115 1023605840 /nfs/dbraw/zinc/60/58/40/1023605840.db2.gz KFVRZNFYSUPUDP-UHFFFAOYSA-N 1 2 330.378 3.849 20 0 EHADLO CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176197613 1023685532 /nfs/dbraw/zinc/68/55/32/1023685532.db2.gz IBNVAPJCNAWGJI-OKILXGFUSA-N 1 2 332.473 3.773 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176197613 1023685536 /nfs/dbraw/zinc/68/55/36/1023685536.db2.gz IBNVAPJCNAWGJI-OKILXGFUSA-N 1 2 332.473 3.773 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cs1 ZINC000341999116 1023748820 /nfs/dbraw/zinc/74/88/20/1023748820.db2.gz JJDITXLQUOFDQX-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000341995577 1023749694 /nfs/dbraw/zinc/74/96/94/1023749694.db2.gz GSXYWJAMGNWWOA-NWDGAFQWSA-N 1 2 341.386 3.633 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cc(Cl)ccc1O ZINC000342051027 1023804851 /nfs/dbraw/zinc/80/48/51/1023804851.db2.gz XFJDRIPJWHXVGR-CQSZACIVSA-N 1 2 341.798 3.929 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)CC12CCCCC2 ZINC000545204018 1033169890 /nfs/dbraw/zinc/16/98/90/1033169890.db2.gz NVSVCLLKUDEBHV-QGZVFWFLSA-N 1 2 332.492 3.665 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000602802423 1033175080 /nfs/dbraw/zinc/17/50/80/1033175080.db2.gz RFLQQMRZEHZPDT-MEDUHNTESA-N 1 2 332.375 3.711 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(F)c(F)c1 ZINC000150844469 1023949359 /nfs/dbraw/zinc/94/93/59/1023949359.db2.gz HYIATHVPFVBSSH-OLZOCXBDSA-N 1 2 328.366 3.957 20 0 EHADLO CC[C@H](C)Oc1cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)nc(C)n1 ZINC000895197480 1023958264 /nfs/dbraw/zinc/95/82/64/1023958264.db2.gz SNOQLQPYJAMGCU-XHDPSFHLSA-N 1 2 329.448 3.644 20 0 EHADLO CCC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459111404 1024004460 /nfs/dbraw/zinc/00/44/60/1024004460.db2.gz GFIBTFVFDWDMFJ-IRXDYDNUSA-N 1 2 332.492 3.836 20 0 EHADLO CCc1nc(C)c(C[N@H+](Cc2ccnc(OC(C)C)c2)C2CC2)o1 ZINC000428308718 1024018417 /nfs/dbraw/zinc/01/84/17/1024018417.db2.gz JCMQEYAYAZLEAS-UHFFFAOYSA-N 1 2 329.444 3.892 20 0 EHADLO CCc1nc(C)c(C[N@@H+](Cc2ccnc(OC(C)C)c2)C2CC2)o1 ZINC000428308718 1024018436 /nfs/dbraw/zinc/01/84/36/1024018436.db2.gz JCMQEYAYAZLEAS-UHFFFAOYSA-N 1 2 329.444 3.892 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514000166 1024043858 /nfs/dbraw/zinc/04/38/58/1024043858.db2.gz VAZCGJYMOKLCRQ-CJNGLKHVSA-N 1 2 340.920 3.735 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000434474923 1024066613 /nfs/dbraw/zinc/06/66/13/1024066613.db2.gz TXOTUYIXPNBEEG-BMFZPTHFSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000434474923 1024066619 /nfs/dbraw/zinc/06/66/19/1024066619.db2.gz TXOTUYIXPNBEEG-BMFZPTHFSA-N 1 2 344.282 3.804 20 0 EHADLO Fc1ccccc1OCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000048616431 1024093281 /nfs/dbraw/zinc/09/32/81/1024093281.db2.gz YHCMUJVCPHDUHH-RMKNXTFCSA-N 1 2 340.442 3.536 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c(F)c1 ZINC000135474915 1033181989 /nfs/dbraw/zinc/18/19/89/1033181989.db2.gz OEMSZZYMEBPOEK-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c(F)c1 ZINC000135474915 1033181997 /nfs/dbraw/zinc/18/19/97/1033181997.db2.gz OEMSZZYMEBPOEK-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cocn2)o1 ZINC000594061635 1033186356 /nfs/dbraw/zinc/18/63/56/1033186356.db2.gz VKBBIULOLPHRFP-UHFFFAOYSA-N 1 2 334.379 3.719 20 0 EHADLO Cc1cccn2cc(CC(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@@H]3C)[nH+]c12 ZINC000607578271 1033188503 /nfs/dbraw/zinc/18/85/03/1033188503.db2.gz FVPIBHQUUIHGTM-UWVAXJGDSA-N 1 2 347.462 3.978 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1F ZINC001141743081 1024142638 /nfs/dbraw/zinc/14/26/38/1024142638.db2.gz CNCADDJWBQMOET-GWCFXTLKSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1F ZINC001141743081 1024142649 /nfs/dbraw/zinc/14/26/49/1024142649.db2.gz CNCADDJWBQMOET-GWCFXTLKSA-N 1 2 346.215 3.728 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000514115929 1024149237 /nfs/dbraw/zinc/14/92/37/1024149237.db2.gz WQAQPBBYAKGHGV-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000514115929 1024149245 /nfs/dbraw/zinc/14/92/45/1024149245.db2.gz WQAQPBBYAKGHGV-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2C[C@H](C)C[C@H]2CC)nc1-c1ccccc1 ZINC000840018828 1024162658 /nfs/dbraw/zinc/16/26/58/1024162658.db2.gz PINOCLUYQPJHSX-CRAIPNDOSA-N 1 2 325.456 3.551 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2C[C@H](C)C[C@H]2CC)nc1-c1ccccc1 ZINC000840018828 1024162672 /nfs/dbraw/zinc/16/26/72/1024162672.db2.gz PINOCLUYQPJHSX-CRAIPNDOSA-N 1 2 325.456 3.551 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000514119045 1024163642 /nfs/dbraw/zinc/16/36/42/1024163642.db2.gz QIXFQBXNMIVIDA-JSGCOSHPSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000514119045 1024163649 /nfs/dbraw/zinc/16/36/49/1024163649.db2.gz QIXFQBXNMIVIDA-JSGCOSHPSA-N 1 2 337.769 3.626 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520602384 1024207443 /nfs/dbraw/zinc/20/74/43/1024207443.db2.gz KLOXFCUUKOCASL-JFIYKMOQSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000329828729 1024214208 /nfs/dbraw/zinc/21/42/08/1024214208.db2.gz JMDCXJPQLJJOBR-WCQYABFASA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000329828729 1024214221 /nfs/dbraw/zinc/21/42/21/1024214221.db2.gz JMDCXJPQLJJOBR-WCQYABFASA-N 1 2 335.473 3.576 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000017743791 1024230995 /nfs/dbraw/zinc/23/09/95/1024230995.db2.gz ABLLJCNHIRRIJO-UHFFFAOYSA-N 1 2 335.860 3.751 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341388 1024273281 /nfs/dbraw/zinc/27/32/81/1024273281.db2.gz AWZUKZILLYVKOD-KGLIPLIRSA-N 1 2 338.442 3.728 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341388 1024273293 /nfs/dbraw/zinc/27/32/93/1024273293.db2.gz AWZUKZILLYVKOD-KGLIPLIRSA-N 1 2 338.442 3.728 20 0 EHADLO Brc1cccc2c(NCc3noc(C4CC4)n3)cc[nH+]c12 ZINC000535719696 1024299766 /nfs/dbraw/zinc/29/97/66/1024299766.db2.gz OSZZETKTDJLWOG-UHFFFAOYSA-N 1 2 345.200 3.870 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)CCC(C)(C)C)CC[NH2+]1 ZINC000505476608 1024320317 /nfs/dbraw/zinc/32/03/17/1024320317.db2.gz MXSPLMCRAHLXSK-NVXWUHKLSA-N 1 2 332.488 3.631 20 0 EHADLO CCc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)sc1C ZINC000505477251 1024321433 /nfs/dbraw/zinc/32/14/33/1024321433.db2.gz SCVBWMKIHZLZDZ-MRXNPFEDSA-N 1 2 332.444 3.545 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)cs1)C1CC1 ZINC000430096600 1024362367 /nfs/dbraw/zinc/36/23/67/1024362367.db2.gz GSXPGDLQYLZAMG-INIZCTEOSA-N 1 2 333.501 3.669 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)cs1)C1CC1 ZINC000430096600 1024362382 /nfs/dbraw/zinc/36/23/82/1024362382.db2.gz GSXPGDLQYLZAMG-INIZCTEOSA-N 1 2 333.501 3.669 20 0 EHADLO CN(Cc1ccc(N)[nH+]c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000135982331 1024362400 /nfs/dbraw/zinc/36/24/00/1024362400.db2.gz YYEJDOODAWTOAF-UHFFFAOYSA-N 1 2 338.358 3.929 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522369572 1024363407 /nfs/dbraw/zinc/36/34/07/1024363407.db2.gz JFKIVEJDDLPJOB-LJQANCHMSA-N 1 2 333.435 3.757 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c(F)c1 ZINC000324289229 1024364087 /nfs/dbraw/zinc/36/40/87/1024364087.db2.gz MXGRVRRRXYWCNX-QWHCGFSZSA-N 1 2 332.423 3.564 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)s1 ZINC000430106906 1024373137 /nfs/dbraw/zinc/37/31/37/1024373137.db2.gz OQUGNEKEZACESD-INIZCTEOSA-N 1 2 330.501 3.967 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)s1 ZINC000430106906 1024373152 /nfs/dbraw/zinc/37/31/52/1024373152.db2.gz OQUGNEKEZACESD-INIZCTEOSA-N 1 2 330.501 3.967 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)C1CCCCC1 ZINC000505505729 1024389598 /nfs/dbraw/zinc/38/95/98/1024389598.db2.gz KDDKMXZALFCGON-BEFAXECRSA-N 1 2 332.463 3.905 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000892027991 1024396588 /nfs/dbraw/zinc/39/65/88/1024396588.db2.gz IVMDYLXCCGTKGW-INIZCTEOSA-N 1 2 332.448 3.657 20 0 EHADLO FC(F)(F)c1csc(NC2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000346101743 1024401441 /nfs/dbraw/zinc/40/14/41/1024401441.db2.gz LMZDSNKERZCCEV-UHFFFAOYSA-N 1 2 342.390 3.814 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000425176005 1024402499 /nfs/dbraw/zinc/40/24/99/1024402499.db2.gz BYZTUIAABKLPLV-ZCNNSNEGSA-N 1 2 345.446 3.679 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1cccc(F)c1 ZINC000505516147 1024413880 /nfs/dbraw/zinc/41/38/80/1024413880.db2.gz OQGTXCPKJZZVCS-AUUYWEPGSA-N 1 2 344.405 3.632 20 0 EHADLO CCSCC[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425198337 1024435688 /nfs/dbraw/zinc/43/56/88/1024435688.db2.gz XHINFTSMLYSWKV-GDBMZVCRSA-N 1 2 331.485 3.580 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505530374 1024444018 /nfs/dbraw/zinc/44/40/18/1024444018.db2.gz QBHLPNFKCVTBSK-AJQASEPBSA-N 1 2 338.426 3.711 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000895387127 1024445902 /nfs/dbraw/zinc/44/59/02/1024445902.db2.gz JWQPJEZQDAQCMD-AWEZNQCLSA-N 1 2 325.309 3.688 20 0 EHADLO Clc1cc(Cl)cc(-c2nc(SCCn3cc[nH+]c3)n[nH]2)c1 ZINC000342220841 1024455486 /nfs/dbraw/zinc/45/54/86/1024455486.db2.gz XDXMXWLCWIALMX-UHFFFAOYSA-N 1 2 340.239 3.767 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000505543681 1024456056 /nfs/dbraw/zinc/45/60/56/1024456056.db2.gz UTMDZGFXJQYHKU-LAEWNIMASA-N 1 2 349.478 3.781 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505543724 1024456752 /nfs/dbraw/zinc/45/67/52/1024456752.db2.gz VDCROXPZPBOSMX-QXOCSCLMSA-N 1 2 344.474 3.905 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000346136550 1024464365 /nfs/dbraw/zinc/46/43/65/1024464365.db2.gz HWYDPKAHSWCWJX-SFHVURJKSA-N 1 2 343.427 3.646 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000346136550 1024464370 /nfs/dbraw/zinc/46/43/70/1024464370.db2.gz HWYDPKAHSWCWJX-SFHVURJKSA-N 1 2 343.427 3.646 20 0 EHADLO CCOCC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC001141803541 1024486495 /nfs/dbraw/zinc/48/64/95/1024486495.db2.gz QPCCXQVFDFOATG-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000895414372 1024487424 /nfs/dbraw/zinc/48/74/24/1024487424.db2.gz CLWAFDYYXJYFTI-CYBMUJFWSA-N 1 2 336.844 3.750 20 0 EHADLO CCc1ccc([C@@H]2COCCN2Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000346178789 1024492570 /nfs/dbraw/zinc/49/25/70/1024492570.db2.gz SOLFJWQFMWQERT-KRWDZBQOSA-N 1 2 343.452 3.663 20 0 EHADLO Cc1cccc(Oc2ncccc2NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000346210204 1024500659 /nfs/dbraw/zinc/50/06/59/1024500659.db2.gz CIHQTVVQVILWHK-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO c1cn(-c2csc(C[N@@H+]3CCc4c5ccccc5[nH]c4C3)c2)cn1 ZINC000346213518 1024504500 /nfs/dbraw/zinc/50/45/00/1024504500.db2.gz XKXVWAFGGINXFW-UHFFFAOYSA-N 1 2 334.448 3.973 20 0 EHADLO c1cn(-c2csc(C[N@H+]3CCc4c5ccccc5[nH]c4C3)c2)cn1 ZINC000346213518 1024504507 /nfs/dbraw/zinc/50/45/07/1024504507.db2.gz XKXVWAFGGINXFW-UHFFFAOYSA-N 1 2 334.448 3.973 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000190777890 1024504744 /nfs/dbraw/zinc/50/47/44/1024504744.db2.gz ZMVTWYNCWQWFQK-MSOLQXFVSA-N 1 2 340.471 3.847 20 0 EHADLO CCOC(=O)c1sc(/C=C/c2c[nH+]c3ccc(C)cn23)nc1C ZINC000434938919 1024517524 /nfs/dbraw/zinc/51/75/24/1024517524.db2.gz QPRROTPCYCTLEH-SOFGYWHQSA-N 1 2 327.409 3.755 20 0 EHADLO COc1cccc(C2(NC(=O)NCc3cc(C)[nH+]c(C)c3)CCC2)c1 ZINC000665166141 1024517676 /nfs/dbraw/zinc/51/76/76/1024517676.db2.gz ZFAVCBHKFBLOCH-UHFFFAOYSA-N 1 2 339.439 3.586 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000042512804 1024548840 /nfs/dbraw/zinc/54/88/40/1024548840.db2.gz RTJLSVVIKBGZHT-GFCCVEGCSA-N 1 2 329.400 3.569 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000042512801 1024549464 /nfs/dbraw/zinc/54/94/64/1024549464.db2.gz RTJLSVVIKBGZHT-LBPRGKRZSA-N 1 2 329.400 3.569 20 0 EHADLO CC(C)c1ccc2ncnc(NCc3nc(C[NH+](C)C)cs3)c2c1 ZINC000895480845 1024553753 /nfs/dbraw/zinc/55/37/53/1024553753.db2.gz NGMMRRHXEICXTP-UHFFFAOYSA-N 1 2 341.484 3.883 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[nH]1 ZINC000277318384 1024579947 /nfs/dbraw/zinc/57/99/47/1024579947.db2.gz SWTOFJAJPRUDGV-OLZOCXBDSA-N 1 2 344.459 3.814 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](Cc2noc(Cc3ccccc3C)n2)CC1 ZINC000435059746 1024588900 /nfs/dbraw/zinc/58/89/00/1024588900.db2.gz IJHILYCFIVHNFW-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](Cc2noc(Cc3ccccc3C)n2)CC1 ZINC000435059746 1024588907 /nfs/dbraw/zinc/58/89/07/1024588907.db2.gz IJHILYCFIVHNFW-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO CC(=O)c1cc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211884138 1024589116 /nfs/dbraw/zinc/58/91/16/1024589116.db2.gz DWLJTXKXHOUUNE-IRXDYDNUSA-N 1 2 348.406 3.890 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000281043939 1024590350 /nfs/dbraw/zinc/59/03/50/1024590350.db2.gz QGOCNVVSSYGVDY-QGZVFWFLSA-N 1 2 336.395 3.712 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614673360 1024657945 /nfs/dbraw/zinc/65/79/45/1024657945.db2.gz HLDBPSUVYVIXSF-DLBZAZTESA-N 1 2 349.544 3.824 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)C[C@@]1(C)O ZINC001143430019 1024658938 /nfs/dbraw/zinc/65/89/38/1024658938.db2.gz YLTRWPZCVMGTEI-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)C[C@@]1(C)O ZINC001143430019 1024658946 /nfs/dbraw/zinc/65/89/46/1024658946.db2.gz YLTRWPZCVMGTEI-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cc3n(n2)CCC3)c2cccs2)cc1 ZINC000657294340 1024666781 /nfs/dbraw/zinc/66/67/81/1024666781.db2.gz NHMNFLXVHLZAQW-GOSISDBHSA-N 1 2 327.428 3.909 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000342272163 1024676995 /nfs/dbraw/zinc/67/69/95/1024676995.db2.gz DFLHDJZNGWWAEP-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO c1coc(-c2nc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)cs2)c1 ZINC000281149488 1024678961 /nfs/dbraw/zinc/67/89/61/1024678961.db2.gz ZRTONYDBGYQMJO-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO c1coc(-c2nc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)cs2)c1 ZINC000281149488 1024678973 /nfs/dbraw/zinc/67/89/73/1024678973.db2.gz ZRTONYDBGYQMJO-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000514701190 1024681656 /nfs/dbraw/zinc/68/16/56/1024681656.db2.gz HDZYOBYNKKOJTD-UHFFFAOYSA-N 1 2 334.872 3.846 20 0 EHADLO C[C@@H]1CCC[C@@H](c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000546353012 1024695775 /nfs/dbraw/zinc/69/57/75/1024695775.db2.gz ZYUOCOWDYCQBPB-NXHRZFHOSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@@H]1CCC[C@@H](c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000546353012 1024695780 /nfs/dbraw/zinc/69/57/80/1024695780.db2.gz ZYUOCOWDYCQBPB-NXHRZFHOSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000514739250 1024699931 /nfs/dbraw/zinc/69/99/31/1024699931.db2.gz XTYSHRGVTJQHPQ-LLVKDONJSA-N 1 2 325.334 3.722 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000514739250 1024699941 /nfs/dbraw/zinc/69/99/41/1024699941.db2.gz XTYSHRGVTJQHPQ-LLVKDONJSA-N 1 2 325.334 3.722 20 0 EHADLO COCCOc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)o1 ZINC000895674157 1024706289 /nfs/dbraw/zinc/70/62/89/1024706289.db2.gz VRZYRXLOJLOQLO-UHFFFAOYSA-N 1 2 337.366 3.752 20 0 EHADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425320146 1024756620 /nfs/dbraw/zinc/75/66/20/1024756620.db2.gz WYYZSZZKHGQONG-SQGPQFPESA-N 1 2 325.456 3.873 20 0 EHADLO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837963 1024780070 /nfs/dbraw/zinc/78/00/70/1024780070.db2.gz WOEVYSGQNRTZCL-WPRPVWTQSA-N 1 2 336.632 3.587 20 0 EHADLO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837963 1024780080 /nfs/dbraw/zinc/78/00/80/1024780080.db2.gz WOEVYSGQNRTZCL-WPRPVWTQSA-N 1 2 336.632 3.587 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000514843415 1024784267 /nfs/dbraw/zinc/78/42/67/1024784267.db2.gz NGOIOTDQSYQPLL-GFCCVEGCSA-N 1 2 336.432 3.522 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)cs1 ZINC000514843415 1024784280 /nfs/dbraw/zinc/78/42/80/1024784280.db2.gz NGOIOTDQSYQPLL-GFCCVEGCSA-N 1 2 336.432 3.522 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326554 1024785847 /nfs/dbraw/zinc/78/58/47/1024785847.db2.gz JANFSJBDWZUKBT-ZWKOTPCHSA-N 1 2 345.874 3.857 20 0 EHADLO Cc1ccoc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326847 1024787344 /nfs/dbraw/zinc/78/73/44/1024787344.db2.gz KEENYQQVVNYCFB-UHFFFAOYSA-N 1 2 343.814 3.781 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)c1ccccc1 ZINC000427816653 1024800621 /nfs/dbraw/zinc/80/06/21/1024800621.db2.gz CIHJNIILNKLEME-FQEVSTJZSA-N 1 2 334.394 3.809 20 0 EHADLO CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1c[nH+]cn1C(C)C ZINC000425342543 1024802054 /nfs/dbraw/zinc/80/20/54/1024802054.db2.gz ZEUNWLSFZAYYJQ-GOSISDBHSA-N 1 2 329.444 3.590 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCc2csc3ccccc23)c[nH+]1 ZINC000895763973 1024806834 /nfs/dbraw/zinc/80/68/34/1024806834.db2.gz DPRRMYZNMBBXDO-UHFFFAOYSA-N 1 2 327.453 3.500 20 0 EHADLO CC(C)n1c[nH+]cc1CN(C)Cc1ccc(F)cc1Br ZINC000425343245 1024809032 /nfs/dbraw/zinc/80/90/32/1024809032.db2.gz RJKHQMINEPWKEQ-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CCC(C)(C)CCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427834170 1024816767 /nfs/dbraw/zinc/81/67/67/1024816767.db2.gz XIXCUBPTHSKNOQ-MRXNPFEDSA-N 1 2 349.544 3.678 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000425351210 1024817563 /nfs/dbraw/zinc/81/75/63/1024817563.db2.gz GHIUHGDVQYVAJY-IBGZPJMESA-N 1 2 333.476 3.552 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000425351210 1024817583 /nfs/dbraw/zinc/81/75/83/1024817583.db2.gz GHIUHGDVQYVAJY-IBGZPJMESA-N 1 2 333.476 3.552 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC000895778005 1024823499 /nfs/dbraw/zinc/82/34/99/1024823499.db2.gz XICKXNWTKGUGFP-UHFFFAOYSA-N 1 2 330.428 3.791 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccoc1C1CC1 ZINC000281266188 1024823398 /nfs/dbraw/zinc/82/33/98/1024823398.db2.gz OVYCDMILXWBFJQ-UHFFFAOYSA-N 1 2 331.441 3.852 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000425348642 1024826876 /nfs/dbraw/zinc/82/68/76/1024826876.db2.gz CEHPLFFPBMOODD-MRXNPFEDSA-N 1 2 344.377 3.654 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000425348642 1024826903 /nfs/dbraw/zinc/82/69/03/1024826903.db2.gz CEHPLFFPBMOODD-MRXNPFEDSA-N 1 2 344.377 3.654 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1c(F)cncc1F ZINC000353200081 1024827261 /nfs/dbraw/zinc/82/72/61/1024827261.db2.gz AGAXZDSZGMFHKK-VIFPVBQESA-N 1 2 347.287 3.547 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H](C)Cc2cnn(C)c2)C(F)F)c1 ZINC000514873769 1024832322 /nfs/dbraw/zinc/83/23/22/1024832322.db2.gz WUUCUMUJMOIUIC-DYVFJYSZSA-N 1 2 337.414 3.734 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000520789667 1024851465 /nfs/dbraw/zinc/85/14/65/1024851465.db2.gz WLAMQXFLKMOSBL-CQSZACIVSA-N 1 2 346.833 3.998 20 0 EHADLO CCC[C@H](C(=O)OCC)[N@H+](C)Cc1cc(Br)cs1 ZINC000096731107 1024861258 /nfs/dbraw/zinc/86/12/58/1024861258.db2.gz VYOFTNUMJBICOI-GFCCVEGCSA-N 1 2 334.279 3.674 20 0 EHADLO CCC[C@H](C(=O)OCC)[N@@H+](C)Cc1cc(Br)cs1 ZINC000096731107 1024861267 /nfs/dbraw/zinc/86/12/67/1024861267.db2.gz VYOFTNUMJBICOI-GFCCVEGCSA-N 1 2 334.279 3.674 20 0 EHADLO Cc1ccc(Cl)cc1-c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000346544254 1024880572 /nfs/dbraw/zinc/88/05/72/1024880572.db2.gz QHCOWASYOOZSAM-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2CSC)c1C ZINC000760073448 1024914899 /nfs/dbraw/zinc/91/48/99/1024914899.db2.gz FNEYJBXEFDYQDK-UHFFFAOYSA-N 1 2 345.468 3.892 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000514942124 1024918498 /nfs/dbraw/zinc/91/84/98/1024918498.db2.gz RHPUXBNMFPLBDG-ZOBUZTSGSA-N 1 2 329.444 3.989 20 0 EHADLO CSc1ccccc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000346598996 1024919155 /nfs/dbraw/zinc/91/91/55/1024919155.db2.gz CKBOUSSPCPGPFK-UHFFFAOYSA-N 1 2 341.411 3.915 20 0 EHADLO CC[N@H+](Cc1ncnn1C(C)C)Cc1cccc(-c2ccncc2)c1 ZINC000639174376 1024922185 /nfs/dbraw/zinc/92/21/85/1024922185.db2.gz WCWPNUJJNHRETA-UHFFFAOYSA-N 1 2 335.455 3.943 20 0 EHADLO CC[N@@H+](Cc1ncnn1C(C)C)Cc1cccc(-c2ccncc2)c1 ZINC000639174376 1024922195 /nfs/dbraw/zinc/92/21/95/1024922195.db2.gz WCWPNUJJNHRETA-UHFFFAOYSA-N 1 2 335.455 3.943 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000761052486 1033246163 /nfs/dbraw/zinc/24/61/63/1033246163.db2.gz OMJNZZXMMJHUDL-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000761052486 1033246177 /nfs/dbraw/zinc/24/61/77/1033246177.db2.gz OMJNZZXMMJHUDL-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO CN(C)c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346623665 1024935748 /nfs/dbraw/zinc/93/57/48/1024935748.db2.gz ALPRRVFDIRMMJH-FQEVSTJZSA-N 1 2 336.414 3.561 20 0 EHADLO CCCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000472121927 1024945932 /nfs/dbraw/zinc/94/59/32/1024945932.db2.gz JDQXRQMHMVEGFX-UHFFFAOYSA-N 1 2 343.858 3.650 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)CC(C)C)c1C ZINC000435511661 1024965170 /nfs/dbraw/zinc/96/51/70/1024965170.db2.gz PHWCMWZXLDHXDN-UHFFFAOYSA-N 1 2 335.492 3.921 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2ccc(Br)cc2)c(C)[nH+]1 ZINC000097040000 1024967976 /nfs/dbraw/zinc/96/79/76/1024967976.db2.gz LJYNOCWFXOMDDH-UHFFFAOYSA-N 1 2 333.229 3.951 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000508273930 1025001243 /nfs/dbraw/zinc/00/12/43/1025001243.db2.gz LQIYNHCQYZIUDP-SGQUHAKNSA-N 1 2 346.434 3.722 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)ccc1C ZINC000157677720 1025034241 /nfs/dbraw/zinc/03/42/41/1025034241.db2.gz FBYNOGLYWCYIIF-MRXNPFEDSA-N 1 2 338.411 3.719 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)ccc1C ZINC000157677720 1025034244 /nfs/dbraw/zinc/03/42/44/1025034244.db2.gz FBYNOGLYWCYIIF-MRXNPFEDSA-N 1 2 338.411 3.719 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417399 1025034629 /nfs/dbraw/zinc/03/46/29/1025034629.db2.gz ONZUQXPBBQNHEL-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417399 1025034637 /nfs/dbraw/zinc/03/46/37/1025034637.db2.gz ONZUQXPBBQNHEL-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1cc(C2CC2)ccc1OC ZINC000895998358 1025053451 /nfs/dbraw/zinc/05/34/51/1025053451.db2.gz XRRLUOJTSXQSMF-UHFFFAOYSA-N 1 2 331.437 3.711 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000342375357 1025100745 /nfs/dbraw/zinc/10/07/45/1025100745.db2.gz VJODGSFRQIIWPO-HNNXBMFYSA-N 1 2 344.405 3.792 20 0 EHADLO CN1CC[N@H+](Cc2cc(F)cc3cccnc32)[C@@H](c2ccccc2)C1 ZINC000342382266 1025121762 /nfs/dbraw/zinc/12/17/62/1025121762.db2.gz BFVJVQDZTGXKKS-HXUWFJFHSA-N 1 2 335.426 3.863 20 0 EHADLO CN1CC[N@@H+](Cc2cc(F)cc3cccnc32)[C@@H](c2ccccc2)C1 ZINC000342382266 1025121763 /nfs/dbraw/zinc/12/17/63/1025121763.db2.gz BFVJVQDZTGXKKS-HXUWFJFHSA-N 1 2 335.426 3.863 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(Cl)c[nH]2)c(C)c1 ZINC000442003081 1025130187 /nfs/dbraw/zinc/13/01/87/1025130187.db2.gz VKJYSNPRLOJGDS-KRWDZBQOSA-N 1 2 342.830 3.653 20 0 EHADLO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(F)cn1 ZINC000352836368 1025135692 /nfs/dbraw/zinc/13/56/92/1025135692.db2.gz KOCIZOWKWMYIMT-UHFFFAOYSA-N 1 2 328.218 3.883 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000342386154 1025139996 /nfs/dbraw/zinc/13/99/96/1025139996.db2.gz LRTQVQNDJGWHTN-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000435793787 1025140648 /nfs/dbraw/zinc/14/06/48/1025140648.db2.gz DNJKSEJPNKJSIA-BEVDRBHNSA-N 1 2 331.419 3.538 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000435801525 1025156866 /nfs/dbraw/zinc/15/68/66/1025156866.db2.gz UWPGPGKDDPCEFA-LJQANCHMSA-N 1 2 340.471 3.509 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H](C)C1 ZINC000113399534 1025167535 /nfs/dbraw/zinc/16/75/35/1025167535.db2.gz RVTUTKLTHRCECW-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000456050119 1025176264 /nfs/dbraw/zinc/17/62/64/1025176264.db2.gz WTXUQCDJGZJDDR-BHYGNILZSA-N 1 2 343.858 3.583 20 0 EHADLO Cc1cc(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000444006580 1025178911 /nfs/dbraw/zinc/17/89/11/1025178911.db2.gz CEENJITUOBSFQO-UHFFFAOYSA-N 1 2 334.341 3.792 20 0 EHADLO Cc1nn(C)c(C)c1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444020662 1025180159 /nfs/dbraw/zinc/18/01/59/1025180159.db2.gz DUFVACIEBIAUTC-UHFFFAOYSA-N 1 2 335.455 3.849 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC(C2CC2)CC1 ZINC000896153205 1025189141 /nfs/dbraw/zinc/18/91/41/1025189141.db2.gz QAVSUIXIURVEFL-IYARVYRRSA-N 1 2 342.487 3.636 20 0 EHADLO CC(C)c1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163322 1025190629 /nfs/dbraw/zinc/19/06/29/1025190629.db2.gz LLOONJTVSDFXSM-RHSMWYFYSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163322 1025190634 /nfs/dbraw/zinc/19/06/34/1025190634.db2.gz LLOONJTVSDFXSM-RHSMWYFYSA-N 1 2 327.428 3.786 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000152103697 1025196912 /nfs/dbraw/zinc/19/69/12/1025196912.db2.gz HXYATSJRHYNFAE-HZPDHXFCSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000139479133 1033266560 /nfs/dbraw/zinc/26/65/60/1033266560.db2.gz XXPFNGDMMVFSFK-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000521120700 1025211127 /nfs/dbraw/zinc/21/11/27/1025211127.db2.gz GSOPNXMUSHQTQN-FUHWJXTLSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000521120700 1025211136 /nfs/dbraw/zinc/21/11/36/1025211136.db2.gz GSOPNXMUSHQTQN-FUHWJXTLSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000521120701 1025211476 /nfs/dbraw/zinc/21/14/76/1025211476.db2.gz GSOPNXMUSHQTQN-SJLPKXTDSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000521120701 1025211487 /nfs/dbraw/zinc/21/14/87/1025211487.db2.gz GSOPNXMUSHQTQN-SJLPKXTDSA-N 1 2 348.874 3.620 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)nc1 ZINC000342407895 1025229639 /nfs/dbraw/zinc/22/96/39/1025229639.db2.gz MNYWRUWFKAVSCS-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)nc1 ZINC000342407895 1025229651 /nfs/dbraw/zinc/22/96/51/1025229651.db2.gz MNYWRUWFKAVSCS-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO CC(C)[C@@H](CNc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000505728093 1025241842 /nfs/dbraw/zinc/24/18/42/1025241842.db2.gz XMZUMJYIQSGFSS-CQSZACIVSA-N 1 2 329.835 3.868 20 0 EHADLO CC[C@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000896217082 1025253105 /nfs/dbraw/zinc/25/31/05/1025253105.db2.gz ILIDKTLGIRIVGM-SUMWQHHRSA-N 1 2 340.427 3.780 20 0 EHADLO CC[C@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@H+]1CCO[C@@H](CC)C1 ZINC000896217082 1025253112 /nfs/dbraw/zinc/25/31/12/1025253112.db2.gz ILIDKTLGIRIVGM-SUMWQHHRSA-N 1 2 340.427 3.780 20 0 EHADLO Fc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1OC(F)(F)F ZINC001143436123 1025280873 /nfs/dbraw/zinc/28/08/73/1025280873.db2.gz LVCNKYKDRTXCAK-UHFFFAOYSA-N 1 2 325.252 3.955 20 0 EHADLO CC(C)c1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000474660384 1025300997 /nfs/dbraw/zinc/30/09/97/1025300997.db2.gz LEIVFRJPKPEVNH-JXMROGBWSA-N 1 2 349.478 3.676 20 0 EHADLO CSc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000152197334 1025311734 /nfs/dbraw/zinc/31/17/34/1025311734.db2.gz NGKRDGBMGDJBMW-CQSZACIVSA-N 1 2 344.484 3.629 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H](Oc2ccccc2)c2ccccc2)n1 ZINC000346927904 1025321031 /nfs/dbraw/zinc/32/10/31/1025321031.db2.gz DCNBCSRKZQQNGC-IBGZPJMESA-N 1 2 346.390 3.562 20 0 EHADLO CN(CCCNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1F ZINC000346931868 1025324729 /nfs/dbraw/zinc/32/47/29/1025324729.db2.gz ADCDCUZPKGMACJ-UHFFFAOYSA-N 1 2 343.450 3.544 20 0 EHADLO CN(CCCNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1F ZINC000346931868 1025324745 /nfs/dbraw/zinc/32/47/45/1025324745.db2.gz ADCDCUZPKGMACJ-UHFFFAOYSA-N 1 2 343.450 3.544 20 0 EHADLO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388787 1033274341 /nfs/dbraw/zinc/27/43/41/1033274341.db2.gz AXSAJMOBGQMULV-BEFAXECRSA-N 1 2 343.446 3.908 20 0 EHADLO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388787 1033274353 /nfs/dbraw/zinc/27/43/53/1033274353.db2.gz AXSAJMOBGQMULV-BEFAXECRSA-N 1 2 343.446 3.908 20 0 EHADLO COc1cccc(N2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)c1 ZINC000515544464 1025335152 /nfs/dbraw/zinc/33/51/52/1025335152.db2.gz RFIVCSWYTBFSEB-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO C[C@@H](Oc1ccc2ccccc2c1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346948647 1025341636 /nfs/dbraw/zinc/34/16/36/1025341636.db2.gz VSKDSPZITFVHEM-CYBMUJFWSA-N 1 2 334.379 3.687 20 0 EHADLO FC(F)(F)c1nc(CN2CCC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC001141885945 1025351654 /nfs/dbraw/zinc/35/16/54/1025351654.db2.gz FPFSCXAQJJOHIK-CYBMUJFWSA-N 1 2 343.374 3.600 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347000418 1025377462 /nfs/dbraw/zinc/37/74/62/1025377462.db2.gz GJIGLWZFRSSASI-CQSZACIVSA-N 1 2 345.874 3.710 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000896372646 1025388339 /nfs/dbraw/zinc/38/83/39/1025388339.db2.gz YNDDKIZXESUMNB-STQMWFEESA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000896372646 1025388353 /nfs/dbraw/zinc/38/83/53/1025388353.db2.gz YNDDKIZXESUMNB-STQMWFEESA-N 1 2 348.365 3.557 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)ccn12 ZINC000521459439 1025396152 /nfs/dbraw/zinc/39/61/52/1025396152.db2.gz WQWKZFPXZGQZBU-DNVCBOLYSA-N 1 2 333.435 3.969 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)CC2)c1 ZINC000347026467 1025422792 /nfs/dbraw/zinc/42/27/92/1025422792.db2.gz UFLJPDCQGSODKH-UHFFFAOYSA-N 1 2 337.467 3.526 20 0 EHADLO COc1ccccc1-n1nccc1C[NH2+]Cc1nc(C(C)C)cs1 ZINC000281745448 1025423256 /nfs/dbraw/zinc/42/32/56/1025423256.db2.gz RTLXRGIKYQGFJG-UHFFFAOYSA-N 1 2 342.468 3.751 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c2c(n1)CCCC2 ZINC000896422324 1025433499 /nfs/dbraw/zinc/43/34/99/1025433499.db2.gz ADBYNSCXTXYQKW-FXAWDEMLSA-N 1 2 326.415 3.830 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCSc2ccc(Cl)cc21 ZINC000014279475 1025459152 /nfs/dbraw/zinc/45/91/52/1025459152.db2.gz QCWHAZXNAORLTE-LBPRGKRZSA-N 1 2 331.832 3.666 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543848230 1025483706 /nfs/dbraw/zinc/48/37/06/1025483706.db2.gz JDXWFRTUVZUYOY-JQFCIGGWSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543848230 1025483715 /nfs/dbraw/zinc/48/37/15/1025483715.db2.gz JDXWFRTUVZUYOY-JQFCIGGWSA-N 1 2 336.426 3.653 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@@H](Nc1cc(NC3CC3)[nH+]cn1)CCC2 ZINC000582168240 1025500380 /nfs/dbraw/zinc/50/03/80/1025500380.db2.gz IRGLOOOLKRCFGS-INIZCTEOSA-N 1 2 338.459 3.852 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@@H](Nc1cc(NC3CC3)nc[nH+]1)CCC2 ZINC000582168240 1025500382 /nfs/dbraw/zinc/50/03/82/1025500382.db2.gz IRGLOOOLKRCFGS-INIZCTEOSA-N 1 2 338.459 3.852 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505779136 1025500560 /nfs/dbraw/zinc/50/05/60/1025500560.db2.gz YHBPASDXVJQZQN-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505779136 1025500566 /nfs/dbraw/zinc/50/05/66/1025500566.db2.gz YHBPASDXVJQZQN-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CC(C)(C)OC1(C)C ZINC000896515854 1025524544 /nfs/dbraw/zinc/52/45/44/1025524544.db2.gz AQPKJURIYHNSAR-LBPRGKRZSA-N 1 2 331.464 3.587 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000347117482 1025533022 /nfs/dbraw/zinc/53/30/22/1025533022.db2.gz UQICZGDGUFUNHN-QWHCGFSZSA-N 1 2 343.393 3.547 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)s1 ZINC000896527197 1025538195 /nfs/dbraw/zinc/53/81/95/1025538195.db2.gz CNWNMNYCEFDBQC-GFCCVEGCSA-N 1 2 339.555 3.917 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)s1 ZINC000896527197 1025538207 /nfs/dbraw/zinc/53/82/07/1025538207.db2.gz CNWNMNYCEFDBQC-GFCCVEGCSA-N 1 2 339.555 3.917 20 0 EHADLO C[C@]1(F)CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000451111265 1025544576 /nfs/dbraw/zinc/54/45/76/1025544576.db2.gz FHVJGWXCXSOFLR-AWEZNQCLSA-N 1 2 327.197 3.914 20 0 EHADLO C[C@]1(F)CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000451111265 1025544589 /nfs/dbraw/zinc/54/45/89/1025544589.db2.gz FHVJGWXCXSOFLR-AWEZNQCLSA-N 1 2 327.197 3.914 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1c(F)cccc1F ZINC000515736042 1025549261 /nfs/dbraw/zinc/54/92/61/1025549261.db2.gz OHDLBZLVEZGZBX-KFWWJZLASA-N 1 2 346.421 3.924 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141599 1025575714 /nfs/dbraw/zinc/57/57/14/1025575714.db2.gz FCXRVOXOPBQCBS-WHOHXGKFSA-N 1 2 335.370 3.718 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141599 1025575723 /nfs/dbraw/zinc/57/57/23/1025575723.db2.gz FCXRVOXOPBQCBS-WHOHXGKFSA-N 1 2 335.370 3.718 20 0 EHADLO CC1(Cc2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCCC1 ZINC000685404048 1033292336 /nfs/dbraw/zinc/29/23/36/1033292336.db2.gz SQFFUXACAUOIBM-KRWDZBQOSA-N 1 2 341.455 3.766 20 0 EHADLO CC1(Cc2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCCC1 ZINC000685404048 1033292345 /nfs/dbraw/zinc/29/23/45/1033292345.db2.gz SQFFUXACAUOIBM-KRWDZBQOSA-N 1 2 341.455 3.766 20 0 EHADLO COc1cccc2c(NCc3nc4c(s3)COCC4)c(C)c[nH+]c12 ZINC000896544048 1025587236 /nfs/dbraw/zinc/58/72/36/1025587236.db2.gz VXQXFBOUBMDQGJ-UHFFFAOYSA-N 1 2 341.436 3.693 20 0 EHADLO COC(=O)[C@@H]([NH2+]C1CCC(OC)CC1)c1cccc2ccccc21 ZINC000896544301 1025587446 /nfs/dbraw/zinc/58/74/46/1025587446.db2.gz YZHALQSYYNCOKE-RJYAGPCLSA-N 1 2 327.424 3.601 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2ccoc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000442928662 1025592517 /nfs/dbraw/zinc/59/25/17/1025592517.db2.gz DBJNCKLXSNYTCJ-IYOUNJFTSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2ccoc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000442928662 1025592528 /nfs/dbraw/zinc/59/25/28/1025592528.db2.gz DBJNCKLXSNYTCJ-IYOUNJFTSA-N 1 2 330.428 3.505 20 0 EHADLO CCCc1cnc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530290245 1025597412 /nfs/dbraw/zinc/59/74/12/1025597412.db2.gz GIPOSHPPNCIIOK-NSHDSACASA-N 1 2 332.473 3.686 20 0 EHADLO CCCc1cnc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530290245 1025597420 /nfs/dbraw/zinc/59/74/20/1025597420.db2.gz GIPOSHPPNCIIOK-NSHDSACASA-N 1 2 332.473 3.686 20 0 EHADLO c1cncc(CC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000329155472 1025629833 /nfs/dbraw/zinc/62/98/33/1025629833.db2.gz VFSUFNKKAMPKAQ-UHFFFAOYSA-N 1 2 326.444 3.577 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000582234706 1025641217 /nfs/dbraw/zinc/64/12/17/1025641217.db2.gz JHXUCVODWPLWQB-PKOBYXMFSA-N 1 2 341.430 3.973 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000515847444 1025672241 /nfs/dbraw/zinc/67/22/41/1025672241.db2.gz QNIGZVXBHCWAQI-SFHVURJKSA-N 1 2 338.455 3.739 20 0 EHADLO CC[C@H](Nc1ncc(C)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436402242 1025682301 /nfs/dbraw/zinc/68/23/01/1025682301.db2.gz UXFHYMUCSWZJJN-IRXDYDNUSA-N 1 2 331.485 3.543 20 0 EHADLO CC[C@H](Nc1ncc(C)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436402242 1025682307 /nfs/dbraw/zinc/68/23/07/1025682307.db2.gz UXFHYMUCSWZJJN-IRXDYDNUSA-N 1 2 331.485 3.543 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000443085226 1025695201 /nfs/dbraw/zinc/69/52/01/1025695201.db2.gz ALZDFHQZMALLBK-GOEBONIOSA-N 1 2 344.434 3.779 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247361820 1025695260 /nfs/dbraw/zinc/69/52/60/1025695260.db2.gz OPMFACLMUPDTPK-ZIAGYGMSSA-N 1 2 337.872 3.935 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247361820 1025695267 /nfs/dbraw/zinc/69/52/67/1025695267.db2.gz OPMFACLMUPDTPK-ZIAGYGMSSA-N 1 2 337.872 3.935 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000425543376 1025699933 /nfs/dbraw/zinc/69/99/33/1025699933.db2.gz PEVXLUUAUZQOFI-OAHLLOKOSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000425543376 1025699943 /nfs/dbraw/zinc/69/99/43/1025699943.db2.gz PEVXLUUAUZQOFI-OAHLLOKOSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1[nH]ncc1C[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000109352231 1025712828 /nfs/dbraw/zinc/71/28/28/1025712828.db2.gz RXRPIINZMKUFPK-JTQLQIEISA-N 1 2 340.290 3.751 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc2cccc(F)c2o1 ZINC000530383623 1025718633 /nfs/dbraw/zinc/71/86/33/1025718633.db2.gz IBWGRXIBIGITOT-CYBMUJFWSA-N 1 2 344.390 3.609 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000521867995 1025742564 /nfs/dbraw/zinc/74/25/64/1025742564.db2.gz XPBDHTNMUICXQV-SFHVURJKSA-N 1 2 334.822 3.799 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000521867995 1025742577 /nfs/dbraw/zinc/74/25/77/1025742577.db2.gz XPBDHTNMUICXQV-SFHVURJKSA-N 1 2 334.822 3.799 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249413 1025744647 /nfs/dbraw/zinc/74/46/47/1025744647.db2.gz NJPIENZLFOZBNZ-SUMWQHHRSA-N 1 2 328.485 3.720 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249413 1025744661 /nfs/dbraw/zinc/74/46/61/1025744661.db2.gz NJPIENZLFOZBNZ-SUMWQHHRSA-N 1 2 328.485 3.720 20 0 EHADLO COc1ncncc1C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000648002163 1025753220 /nfs/dbraw/zinc/75/32/20/1025753220.db2.gz BMNZTKUUUILJDC-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1ncncc1C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000648002163 1025753229 /nfs/dbraw/zinc/75/32/29/1025753229.db2.gz BMNZTKUUUILJDC-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1ccc2c(c1)[C@H]([N@H+](CC(C)=O)Cc1ccccc1)CCO2 ZINC000639500349 1025763141 /nfs/dbraw/zinc/76/31/41/1025763141.db2.gz QJMAAPCCCQTAMH-LJQANCHMSA-N 1 2 325.408 3.610 20 0 EHADLO COc1ccc2c(c1)[C@H]([N@@H+](CC(C)=O)Cc1ccccc1)CCO2 ZINC000639500349 1025763159 /nfs/dbraw/zinc/76/31/59/1025763159.db2.gz QJMAAPCCCQTAMH-LJQANCHMSA-N 1 2 325.408 3.610 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccccn1 ZINC000119728721 1025763995 /nfs/dbraw/zinc/76/39/95/1025763995.db2.gz NAZPDCSTXRMTRM-UHFFFAOYSA-N 1 2 349.434 3.730 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccccn1 ZINC000119728721 1025764004 /nfs/dbraw/zinc/76/40/04/1025764004.db2.gz NAZPDCSTXRMTRM-UHFFFAOYSA-N 1 2 349.434 3.730 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000521894988 1025766159 /nfs/dbraw/zinc/76/61/59/1025766159.db2.gz ZLNGCRYOKWXOMC-FDQGKXFDSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000521894988 1025766171 /nfs/dbraw/zinc/76/61/71/1025766171.db2.gz ZLNGCRYOKWXOMC-FDQGKXFDSA-N 1 2 339.863 3.507 20 0 EHADLO Cc1cnc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)nc1 ZINC000451297493 1025782469 /nfs/dbraw/zinc/78/24/69/1025782469.db2.gz SUFPWVWOJNPAHO-UHFFFAOYSA-N 1 2 342.390 3.640 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000443212350 1025798235 /nfs/dbraw/zinc/79/82/35/1025798235.db2.gz NNDOYZKHQSHXIM-RBUKOAKNSA-N 1 2 335.382 3.819 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc(Cl)cc3c(OC)cccc31)C2 ZINC000896650634 1025803230 /nfs/dbraw/zinc/80/32/30/1025803230.db2.gz JRIBGUUXSMIACT-UHFFFAOYSA-N 1 2 342.830 3.676 20 0 EHADLO C[N@H+](Cc1nc(Cc2ccc(C(C)(C)C)cc2)no1)[C@@H]1CCSC1 ZINC000443218872 1025822659 /nfs/dbraw/zinc/82/26/59/1025822659.db2.gz UOAAZTSQMUHGBI-MRXNPFEDSA-N 1 2 345.512 3.895 20 0 EHADLO C[N@@H+](Cc1nc(Cc2ccc(C(C)(C)C)cc2)no1)[C@@H]1CCSC1 ZINC000443218872 1025822678 /nfs/dbraw/zinc/82/26/78/1025822678.db2.gz UOAAZTSQMUHGBI-MRXNPFEDSA-N 1 2 345.512 3.895 20 0 EHADLO Cc1[nH]c(CNC(=O)Cc2coc3c2ccc(Cl)c3C)[nH+]c1C ZINC000896905168 1025829276 /nfs/dbraw/zinc/82/92/76/1025829276.db2.gz CJLNHRHPFRLARO-UHFFFAOYSA-N 1 2 331.803 3.593 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(-c4ccsc4)oc3C)C2)n1 ZINC000329438515 1025846158 /nfs/dbraw/zinc/84/61/58/1025846158.db2.gz KIFHJXFJFDLKNC-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccsc4)oc3C)C2)n1 ZINC000329438515 1025846184 /nfs/dbraw/zinc/84/61/84/1025846184.db2.gz KIFHJXFJFDLKNC-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000303986269 1025898998 /nfs/dbraw/zinc/89/89/98/1025898998.db2.gz IRMVDYBQOLEXGB-CXAGYDPISA-N 1 2 347.434 3.839 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657395028 1025899546 /nfs/dbraw/zinc/89/95/46/1025899546.db2.gz PYIVRAMCXMZJPL-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334914 1025925259 /nfs/dbraw/zinc/92/52/59/1025925259.db2.gz RLQPBKSDOKZEGS-OAHLLOKOSA-N 1 2 348.462 3.885 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334914 1025925273 /nfs/dbraw/zinc/92/52/73/1025925273.db2.gz RLQPBKSDOKZEGS-OAHLLOKOSA-N 1 2 348.462 3.885 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CC1(CCC1)O2 ZINC000896746838 1025952880 /nfs/dbraw/zinc/95/28/80/1025952880.db2.gz NAVLQNDAMRWWLE-CQSZACIVSA-N 1 2 349.228 3.973 20 0 EHADLO COc1ccccc1-c1noc([C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000191157045 1025954409 /nfs/dbraw/zinc/95/44/09/1025954409.db2.gz BFJHCCKMVWRZRZ-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccccc1-c1noc([C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000191157045 1025954425 /nfs/dbraw/zinc/95/44/25/1025954425.db2.gz BFJHCCKMVWRZRZ-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000329529213 1025960272 /nfs/dbraw/zinc/96/02/72/1025960272.db2.gz UZLZKYDQYKPDRJ-LJQANCHMSA-N 1 2 340.471 3.877 20 0 EHADLO O=C(CC1CCC(=O)CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000530507329 1025965790 /nfs/dbraw/zinc/96/57/90/1025965790.db2.gz BKVHVSSYJIMJDE-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO C[C@H](c1nc(CCc2ccccc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000191172726 1025971300 /nfs/dbraw/zinc/97/13/00/1025971300.db2.gz BCKIOHFRXKGWNU-MRXNPFEDSA-N 1 2 333.435 3.974 20 0 EHADLO C[C@H](c1nc(CCc2ccccc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000191172726 1025971312 /nfs/dbraw/zinc/97/13/12/1025971312.db2.gz BCKIOHFRXKGWNU-MRXNPFEDSA-N 1 2 333.435 3.974 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516836 1025974150 /nfs/dbraw/zinc/97/41/50/1025974150.db2.gz VXSXAWHNIIJVFY-HKUYNNGSSA-N 1 2 333.447 3.999 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516836 1025974165 /nfs/dbraw/zinc/97/41/65/1025974165.db2.gz VXSXAWHNIIJVFY-HKUYNNGSSA-N 1 2 333.447 3.999 20 0 EHADLO CC(C)c1nc([C@@H]2CCCC[N@@H+]2CCCCC2(C)OCCO2)no1 ZINC001167567054 1025979863 /nfs/dbraw/zinc/97/98/63/1025979863.db2.gz AIJJAJDMEVNUHN-HNNXBMFYSA-N 1 2 337.464 3.653 20 0 EHADLO CC(C)c1nc([C@@H]2CCCC[N@H+]2CCCCC2(C)OCCO2)no1 ZINC001167567054 1025979876 /nfs/dbraw/zinc/97/98/76/1025979876.db2.gz AIJJAJDMEVNUHN-HNNXBMFYSA-N 1 2 337.464 3.653 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C[C@H](C)O2 ZINC000342512035 1025986131 /nfs/dbraw/zinc/98/61/31/1025986131.db2.gz HCXQEYIVUMOSKC-INIZCTEOSA-N 1 2 347.418 3.668 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[C@@H]1C ZINC000451474127 1025989801 /nfs/dbraw/zinc/98/98/01/1025989801.db2.gz YFFGGNVOQUPDFB-OWSLCNJRSA-N 1 2 343.515 3.998 20 0 EHADLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(Cl)cc1)C2 ZINC001279145257 1025997463 /nfs/dbraw/zinc/99/74/63/1025997463.db2.gz WIHVSCFXVUHKCF-SFHVURJKSA-N 1 2 342.870 3.507 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)no1 ZINC000451506069 1026025855 /nfs/dbraw/zinc/02/58/55/1026025855.db2.gz UEMLBMZLPRHOLG-IAGOWNOFSA-N 1 2 343.471 3.651 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCOc2cccc3ccccc32)[nH+]c1C ZINC000896921841 1026042450 /nfs/dbraw/zinc/04/24/50/1026042450.db2.gz GSMRHSJEINZOTI-UHFFFAOYSA-N 1 2 337.423 3.655 20 0 EHADLO COc1cc(Br)cc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000896808166 1026046057 /nfs/dbraw/zinc/04/60/57/1026046057.db2.gz SXIADBIHRMTJHR-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814133 1026062389 /nfs/dbraw/zinc/06/23/89/1026062389.db2.gz ZZIUSASECQZBGB-NWDGAFQWSA-N 1 2 326.227 3.772 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814133 1026062404 /nfs/dbraw/zinc/06/24/04/1026062404.db2.gz ZZIUSASECQZBGB-NWDGAFQWSA-N 1 2 326.227 3.772 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000895185340 1026062546 /nfs/dbraw/zinc/06/25/46/1026062546.db2.gz ZFGPMMWUFXYLNP-AEFFLSMTSA-N 1 2 331.456 3.590 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cn1 ZINC000505869534 1026079744 /nfs/dbraw/zinc/07/97/44/1026079744.db2.gz YZQGCQKRLVPWRM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cn1 ZINC000505869534 1026079763 /nfs/dbraw/zinc/07/97/63/1026079763.db2.gz YZQGCQKRLVPWRM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO FC1(F)CC12CC(c1nc(Cc3ccc(-n4cc[nH+]c4)cc3)no1)C2 ZINC000896820296 1026081337 /nfs/dbraw/zinc/08/13/37/1026081337.db2.gz CIGZJHRKMHNUQT-UHFFFAOYSA-N 1 2 342.349 3.749 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451541101 1026088473 /nfs/dbraw/zinc/08/84/73/1026088473.db2.gz LMKCJCKQLYFPLX-NHYWBVRUSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451541101 1026088487 /nfs/dbraw/zinc/08/84/87/1026088487.db2.gz LMKCJCKQLYFPLX-NHYWBVRUSA-N 1 2 345.270 3.679 20 0 EHADLO CCC[C@H](OCC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821504 1026088881 /nfs/dbraw/zinc/08/88/81/1026088881.db2.gz SSFAZTOYHNPBGV-INIZCTEOSA-N 1 2 326.400 3.724 20 0 EHADLO CC(C)[NH+]1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000191961875 1026089857 /nfs/dbraw/zinc/08/98/57/1026089857.db2.gz JBTCNCFGEFEJMP-UHFFFAOYSA-N 1 2 331.243 3.758 20 0 EHADLO CCc1nc2sccc2c(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC000895193821 1026091145 /nfs/dbraw/zinc/09/11/45/1026091145.db2.gz UKHANBUGSMEIED-CYBMUJFWSA-N 1 2 327.457 3.935 20 0 EHADLO COCCc1noc(C[N@H+](C)[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000103469755 1026094373 /nfs/dbraw/zinc/09/43/73/1026094373.db2.gz OUCVSWNCJOFMIT-AWEZNQCLSA-N 1 2 325.412 3.605 20 0 EHADLO COCCc1noc(C[N@@H+](C)[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000103469755 1026094381 /nfs/dbraw/zinc/09/43/81/1026094381.db2.gz OUCVSWNCJOFMIT-AWEZNQCLSA-N 1 2 325.412 3.605 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2ncnc3cc(Cl)ccc32)[nH+]c1C ZINC000895193517 1026095566 /nfs/dbraw/zinc/09/55/66/1026095566.db2.gz PZHBUNXETWDYTO-OAHLLOKOSA-N 1 2 327.819 3.965 20 0 EHADLO CC(=O)CCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684862719 1026187788 /nfs/dbraw/zinc/18/77/88/1026187788.db2.gz DNASOSYXOXCMEF-UHFFFAOYSA-N 1 2 325.412 3.584 20 0 EHADLO C[C@H]1CCN(C(=O)CCCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000896982631 1026205100 /nfs/dbraw/zinc/20/51/00/1026205100.db2.gz UOAMSHQYGGMPRZ-HKUYNNGSSA-N 1 2 325.456 3.706 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000342541654 1026209291 /nfs/dbraw/zinc/20/92/91/1026209291.db2.gz IOXIHPSPTCSDEK-RBUKOAKNSA-N 1 2 339.483 3.878 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1C2CC3CC(C2)CC1C3 ZINC000127656789 1026235736 /nfs/dbraw/zinc/23/57/36/1026235736.db2.gz XYGYRPRLVYYMST-UHFFFAOYSA-N 1 2 349.478 3.828 20 0 EHADLO Cc1ccccc1Cc1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000530717022 1026240385 /nfs/dbraw/zinc/24/03/85/1026240385.db2.gz KUIIZJJYWSSTGU-UHFFFAOYSA-N 1 2 346.390 3.734 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000451756753 1026266346 /nfs/dbraw/zinc/26/63/46/1026266346.db2.gz NEDBSZLOTHIJQB-NRFANRHFSA-N 1 2 325.543 3.920 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000451756753 1026266358 /nfs/dbraw/zinc/26/63/58/1026266358.db2.gz NEDBSZLOTHIJQB-NRFANRHFSA-N 1 2 325.543 3.920 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c(C)n1Cc1ccco1 ZINC000530778125 1026287599 /nfs/dbraw/zinc/28/75/99/1026287599.db2.gz IPPBYBGZNDAUPJ-HUUCEWRRSA-N 1 2 346.496 3.755 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCCc3cccnc32)c1Cl ZINC000897071415 1026297355 /nfs/dbraw/zinc/29/73/55/1026297355.db2.gz DQSGUNIQKDUVKE-LLVKDONJSA-N 1 2 344.768 3.655 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc2c(c1)OCO2 ZINC000324811370 1026329731 /nfs/dbraw/zinc/32/97/31/1026329731.db2.gz CXJLXVWXQUIMLE-AWEZNQCLSA-N 1 2 325.412 3.974 20 0 EHADLO COCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000190135467 1026331523 /nfs/dbraw/zinc/33/15/23/1026331523.db2.gz ICRKUAKXBIEUNP-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO COCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000190135467 1026331534 /nfs/dbraw/zinc/33/15/34/1026331534.db2.gz ICRKUAKXBIEUNP-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)on1 ZINC000122330968 1026408916 /nfs/dbraw/zinc/40/89/16/1026408916.db2.gz YDJPMJJIUIOMFG-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)n1 ZINC000451956445 1026416045 /nfs/dbraw/zinc/41/60/45/1026416045.db2.gz CTSWWTCHPJXNKP-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO CCn1c(C[NH2+][C@H](COC)c2ccc(F)cc2)nc2ccccc21 ZINC000530967474 1026439204 /nfs/dbraw/zinc/43/92/04/1026439204.db2.gz RRMTVJBTSWQWCE-QGZVFWFLSA-N 1 2 327.403 3.673 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000582514067 1026458674 /nfs/dbraw/zinc/45/86/74/1026458674.db2.gz CMCDPHMRIBFAKE-UHFFFAOYSA-N 1 2 344.484 3.918 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@@H]2CCOC3(CCCC3)C2)no1)c1ccccc1 ZINC000897186978 1026469131 /nfs/dbraw/zinc/46/91/31/1026469131.db2.gz LUOYJUCGHOXUBR-IAGOWNOFSA-N 1 2 341.455 3.927 20 0 EHADLO c1[nH+]c(-c2cccc(NCc3cn(C4CCC4)nn3)c2)n2c1CCCC2 ZINC000657450072 1026488852 /nfs/dbraw/zinc/48/88/52/1026488852.db2.gz LNGLFIASVTZOSX-UHFFFAOYSA-N 1 2 348.454 3.815 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)CCO2)cc1 ZINC000277671558 1026514085 /nfs/dbraw/zinc/51/40/85/1026514085.db2.gz DSXWDZHEQZRYPL-IRXDYDNUSA-N 1 2 342.418 3.548 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)CCO2)cc1 ZINC000277671558 1026514091 /nfs/dbraw/zinc/51/40/91/1026514091.db2.gz DSXWDZHEQZRYPL-IRXDYDNUSA-N 1 2 342.418 3.548 20 0 EHADLO C[C@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCOC1 ZINC000277684390 1026544198 /nfs/dbraw/zinc/54/41/98/1026544198.db2.gz LVVPQRISKBNTQV-FQEVSTJZSA-N 1 2 339.439 3.642 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000684915572 1026590420 /nfs/dbraw/zinc/59/04/20/1026590420.db2.gz DAXHJZIJTJOYEH-HNNXBMFYSA-N 1 2 335.467 3.745 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)ccn12 ZINC000563392785 1026592180 /nfs/dbraw/zinc/59/21/80/1026592180.db2.gz PXOPXDPMFNBLKG-MAUKXSAKSA-N 1 2 337.398 3.848 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000452321243 1026653372 /nfs/dbraw/zinc/65/33/72/1026653372.db2.gz YFTRLIBDUWHEEB-UKRRQHHQSA-N 1 2 343.446 3.963 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000452321243 1026653377 /nfs/dbraw/zinc/65/33/77/1026653377.db2.gz YFTRLIBDUWHEEB-UKRRQHHQSA-N 1 2 343.446 3.963 20 0 EHADLO O=C(/C=C\C=C(Cl)Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897366968 1026656701 /nfs/dbraw/zinc/65/67/01/1026656701.db2.gz WJBNUGSCAWEGIA-KTAJNNJTSA-N 1 2 342.270 3.777 20 0 EHADLO C[C@@H](CC(=O)Nc1c[nH+]c2n1CCCC2)C(=O)c1ccc(Cl)cc1 ZINC000452331149 1026662331 /nfs/dbraw/zinc/66/23/31/1026662331.db2.gz CHBXUPRMGZSWGK-LBPRGKRZSA-N 1 2 345.830 3.720 20 0 EHADLO O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1c[nH+]c2n1CCCC2 ZINC000452335714 1026667988 /nfs/dbraw/zinc/66/79/88/1026667988.db2.gz RMNUXXFPGDINCS-UHFFFAOYSA-N 1 2 328.803 3.535 20 0 EHADLO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301058822 1026669936 /nfs/dbraw/zinc/66/99/36/1026669936.db2.gz AJMHRSVGPLNNBO-UHFFFAOYSA-N 1 2 337.427 3.584 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342675135 1026670384 /nfs/dbraw/zinc/67/03/84/1026670384.db2.gz JTPUMQSQGMWMMK-RBUKOAKNSA-N 1 2 348.450 3.936 20 0 EHADLO CCC(CC)C(=O)N1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301095388 1026684793 /nfs/dbraw/zinc/68/47/93/1026684793.db2.gz ONQBOEFZMNVYOR-UHFFFAOYSA-N 1 2 332.492 3.748 20 0 EHADLO Cc1ccc(OCCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1C ZINC000452337399 1026691877 /nfs/dbraw/zinc/69/18/77/1026691877.db2.gz ZVLMPVDCCNOCSO-UHFFFAOYSA-N 1 2 327.428 3.634 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1scnc1C ZINC000301163697 1026707082 /nfs/dbraw/zinc/70/70/82/1026707082.db2.gz CBVVPAXYJLUINZ-UHFFFAOYSA-N 1 2 327.409 3.789 20 0 EHADLO Fc1ccc(Oc2ccnc(NCCc3cn4ccccc4[nH+]3)n2)cc1 ZINC000301171656 1026710451 /nfs/dbraw/zinc/71/04/51/1026710451.db2.gz KGUHKONAIBTEIR-UHFFFAOYSA-N 1 2 349.369 3.710 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000301188418 1026716152 /nfs/dbraw/zinc/71/61/52/1026716152.db2.gz KPPANSOHDQFKGZ-ZDUSSCGKSA-N 1 2 343.377 3.989 20 0 EHADLO C[C@@H](c1nc(-c2cc3c([nH]c2=O)CC[C@@H](C(C)(C)C)C3)no1)[NH+](C)C ZINC000897276568 1026763133 /nfs/dbraw/zinc/76/31/33/1026763133.db2.gz RNAPZGHFTIGLDX-WCQYABFASA-N 1 2 344.459 3.611 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000301360532 1026775972 /nfs/dbraw/zinc/77/59/72/1026775972.db2.gz PZGKAPQMVKTKNZ-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000301360532 1026775982 /nfs/dbraw/zinc/77/59/82/1026775982.db2.gz PZGKAPQMVKTKNZ-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934557588 1026786412 /nfs/dbraw/zinc/78/64/12/1026786412.db2.gz SGEYZWDDSOFYQK-OLZOCXBDSA-N 1 2 334.489 3.698 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000657501603 1026787633 /nfs/dbraw/zinc/78/76/33/1026787633.db2.gz YDICKBXJDKUUEO-BUXKBTBVSA-N 1 2 333.378 3.718 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(C)c[nH+]1 ZINC000548746317 1026818843 /nfs/dbraw/zinc/81/88/43/1026818843.db2.gz AAQZQBZFNHGNDO-NVXWUHKLSA-N 1 2 327.403 3.717 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000582634942 1026832464 /nfs/dbraw/zinc/83/24/64/1026832464.db2.gz MXQKPMXPUKXEFR-QFIPXVFZSA-N 1 2 345.446 3.741 20 0 EHADLO CCC(CC)N(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000531394854 1026863318 /nfs/dbraw/zinc/86/33/18/1026863318.db2.gz BQHFRZIOASWSAL-UHFFFAOYSA-N 1 2 344.434 3.874 20 0 EHADLO Cc1ccc(OC(F)F)c(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301615093 1026875829 /nfs/dbraw/zinc/87/58/29/1026875829.db2.gz UXJXCZGQZZTCEJ-UHFFFAOYSA-N 1 2 348.397 3.989 20 0 EHADLO Cc1ccc(OC(F)F)c(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301615093 1026875835 /nfs/dbraw/zinc/87/58/35/1026875835.db2.gz UXJXCZGQZZTCEJ-UHFFFAOYSA-N 1 2 348.397 3.989 20 0 EHADLO Cc1cc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301627130 1026880480 /nfs/dbraw/zinc/88/04/80/1026880480.db2.gz BFVBSSSVNRAOLQ-INIZCTEOSA-N 1 2 330.476 3.502 20 0 EHADLO Cc1nc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000301648420 1026887381 /nfs/dbraw/zinc/88/73/81/1026887381.db2.gz FHZYZYRNQQXLTD-GDBMZVCRSA-N 1 2 348.491 3.531 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000452649326 1026898484 /nfs/dbraw/zinc/89/84/84/1026898484.db2.gz JVZNJJGQSSUKHM-JSGCOSHPSA-N 1 2 337.345 3.675 20 0 EHADLO COc1ccc(CN(c2cc(N3CCCCC3)[nH+]cn2)C2CC2)cc1 ZINC000301720703 1026914911 /nfs/dbraw/zinc/91/49/11/1026914911.db2.gz JDWXDGKNHFVIMC-UHFFFAOYSA-N 1 2 338.455 3.645 20 0 EHADLO COc1ccc(CN(c2cc(N3CCCCC3)nc[nH+]2)C2CC2)cc1 ZINC000301720703 1026914921 /nfs/dbraw/zinc/91/49/21/1026914921.db2.gz JDWXDGKNHFVIMC-UHFFFAOYSA-N 1 2 338.455 3.645 20 0 EHADLO C[C@@H]1C[C@]1(NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000582676877 1026918682 /nfs/dbraw/zinc/91/86/82/1026918682.db2.gz LQZXZJZAUDCUJG-RDTXWAMCSA-N 1 2 346.862 3.551 20 0 EHADLO COc1ccc2nc(C)nc(Oc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000301797757 1026941184 /nfs/dbraw/zinc/94/11/84/1026941184.db2.gz ATCGJBPFTLXQPU-UHFFFAOYSA-N 1 2 332.363 3.925 20 0 EHADLO CCCC(=O)Nc1cccc(CNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000301824954 1026952063 /nfs/dbraw/zinc/95/20/63/1026952063.db2.gz MAMSRDXHBLAINI-UHFFFAOYSA-N 1 2 339.443 3.649 20 0 EHADLO CCCC(=O)Nc1cccc(CNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000301824954 1026952076 /nfs/dbraw/zinc/95/20/76/1026952076.db2.gz MAMSRDXHBLAINI-UHFFFAOYSA-N 1 2 339.443 3.649 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116740917 1026953180 /nfs/dbraw/zinc/95/31/80/1026953180.db2.gz PPCNDHWGBSDLDO-LPHOPBHVSA-N 1 2 325.456 3.877 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C)c(C)n2)CC1 ZINC000301859171 1026968017 /nfs/dbraw/zinc/96/80/17/1026968017.db2.gz BTOUBSBFWINABW-SFHVURJKSA-N 1 2 346.425 3.645 20 0 EHADLO Cc1ccc(OC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1C ZINC000301862680 1026968893 /nfs/dbraw/zinc/96/88/93/1026968893.db2.gz GFVCGTSBKGJQJZ-UHFFFAOYSA-N 1 2 348.450 3.877 20 0 EHADLO CN(CC1(O)CCCC1)c1cc[nH+]c2c(Br)cccc12 ZINC000301882275 1026978523 /nfs/dbraw/zinc/97/85/23/1026978523.db2.gz IOUPXIOBRWFKIQ-UHFFFAOYSA-N 1 2 335.245 3.739 20 0 EHADLO CCCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301885269 1026979714 /nfs/dbraw/zinc/97/97/14/1026979714.db2.gz LWPOMZKOHDVTTD-UHFFFAOYSA-N 1 2 339.443 3.982 20 0 EHADLO CCc1ccc([C@@H](COC)Nc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000301890556 1026981844 /nfs/dbraw/zinc/98/18/44/1026981844.db2.gz NVDVOKSKWYNRJY-CQSZACIVSA-N 1 2 343.431 3.536 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1ccc(F)cc1 ZINC000301900915 1026987140 /nfs/dbraw/zinc/98/71/40/1026987140.db2.gz VEHYQCCHWZKOFX-GFCCVEGCSA-N 1 2 343.406 3.600 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cc(F)cc(F)c1 ZINC000301904459 1026989448 /nfs/dbraw/zinc/98/94/48/1026989448.db2.gz YDNMBJUYWGJDJC-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO COc1ccccc1C[C@@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301973690 1027011591 /nfs/dbraw/zinc/01/15/91/1027011591.db2.gz ADTADKALRRIUDA-MRXNPFEDSA-N 1 2 340.471 3.543 20 0 EHADLO COc1ccccc1C[C@@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301973690 1027011600 /nfs/dbraw/zinc/01/16/00/1027011600.db2.gz ADTADKALRRIUDA-MRXNPFEDSA-N 1 2 340.471 3.543 20 0 EHADLO CCc1csc([C@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)n1 ZINC000302013052 1027023655 /nfs/dbraw/zinc/02/36/55/1027023655.db2.gz BFVJWMPASLNUGI-AWEZNQCLSA-N 1 2 343.500 3.701 20 0 EHADLO CCc1csc([C@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)n1 ZINC000302013052 1027023661 /nfs/dbraw/zinc/02/36/61/1027023661.db2.gz BFVJWMPASLNUGI-AWEZNQCLSA-N 1 2 343.500 3.701 20 0 EHADLO COc1ccc(OC)c([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000302057801 1027038661 /nfs/dbraw/zinc/03/86/61/1027038661.db2.gz RIIHEUVVFMZQFB-LBPRGKRZSA-N 1 2 327.428 3.854 20 0 EHADLO Cc1nc(N(C)Cc2nc(C(F)(F)F)cs2)c2c([nH+]1)CCCC2 ZINC000302071052 1027043774 /nfs/dbraw/zinc/04/37/74/1027043774.db2.gz FEYCSIALWHENOX-UHFFFAOYSA-N 1 2 342.390 3.776 20 0 EHADLO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(NC2CC2)[nH+]cn1 ZINC000665696255 1027051765 /nfs/dbraw/zinc/05/17/65/1027051765.db2.gz CABVWFFUUVACAN-OXJNMPFZSA-N 1 2 338.455 3.655 20 0 EHADLO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(NC2CC2)nc[nH+]1 ZINC000665696255 1027051778 /nfs/dbraw/zinc/05/17/78/1027051778.db2.gz CABVWFFUUVACAN-OXJNMPFZSA-N 1 2 338.455 3.655 20 0 EHADLO Cc1nc(NC[C@@H](c2ccccc2)C(C)(C)CO)c2c([nH+]1)CCCC2 ZINC000302121513 1027059984 /nfs/dbraw/zinc/05/99/84/1027059984.db2.gz YCBDHPFYWKMIOG-SFHVURJKSA-N 1 2 339.483 3.878 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCNc1cccc(F)c1 ZINC000302119952 1027060179 /nfs/dbraw/zinc/06/01/79/1027060179.db2.gz DEPGLVUVLSKRFI-UHFFFAOYSA-N 1 2 342.422 3.635 20 0 EHADLO CC(C)[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000342789526 1027070889 /nfs/dbraw/zinc/07/08/89/1027070889.db2.gz CDPADJPFWBVDQX-DLBZAZTESA-N 1 2 343.496 3.532 20 0 EHADLO Cc1cnc([C@@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)s1 ZINC000302151135 1027072690 /nfs/dbraw/zinc/07/26/90/1027072690.db2.gz UFBVBDKEWWNHSW-JTQLQIEISA-N 1 2 330.461 3.562 20 0 EHADLO Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000272736639 1027090724 /nfs/dbraw/zinc/09/07/24/1027090724.db2.gz JWXQBBKABVWFGG-UHFFFAOYSA-N 1 2 349.438 3.575 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](Cc3cccnc3)C(C)C)n2)cc1 ZINC000125648711 1027106462 /nfs/dbraw/zinc/10/64/62/1027106462.db2.gz AOBJXJDHNZCYTJ-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](Cc3cccnc3)C(C)C)n2)cc1 ZINC000125648711 1027106467 /nfs/dbraw/zinc/10/64/67/1027106467.db2.gz AOBJXJDHNZCYTJ-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO Cc1cnc(C[N@H+]2CC=C(c3cccc(Br)c3)CC2)n1C ZINC000342795800 1027123514 /nfs/dbraw/zinc/12/35/14/1027123514.db2.gz HVWHFTKXLPJQNZ-UHFFFAOYSA-N 1 2 346.272 3.780 20 0 EHADLO Cc1cnc(C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)n1C ZINC000342795800 1027123516 /nfs/dbraw/zinc/12/35/16/1027123516.db2.gz HVWHFTKXLPJQNZ-UHFFFAOYSA-N 1 2 346.272 3.780 20 0 EHADLO Cc1c[nH+]c(CN2CC=C(c3cccc(Br)c3)CC2)n1C ZINC000342795800 1027123519 /nfs/dbraw/zinc/12/35/19/1027123519.db2.gz HVWHFTKXLPJQNZ-UHFFFAOYSA-N 1 2 346.272 3.780 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272821248 1027133125 /nfs/dbraw/zinc/13/31/25/1027133125.db2.gz CNRQIHPVVFUSEC-MRXNPFEDSA-N 1 2 339.361 3.619 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272821248 1027133130 /nfs/dbraw/zinc/13/31/30/1027133130.db2.gz CNRQIHPVVFUSEC-MRXNPFEDSA-N 1 2 339.361 3.619 20 0 EHADLO CC(C)C[C@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302388832 1027138841 /nfs/dbraw/zinc/13/88/41/1027138841.db2.gz FNVSCOGEIYGGDU-HUUCEWRRSA-N 1 2 331.464 3.587 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126074895 1027157714 /nfs/dbraw/zinc/15/77/14/1027157714.db2.gz HMPSRHLRNRLJDU-SFHVURJKSA-N 1 2 331.419 3.577 20 0 EHADLO c1ccc2sc(CCNc3cc(N4CCCCC4)nc[nH+]3)nc2c1 ZINC000302460163 1027159003 /nfs/dbraw/zinc/15/90/03/1027159003.db2.gz RHEGVNZVBKRPDS-UHFFFAOYSA-N 1 2 339.468 3.731 20 0 EHADLO c1ccc2sc(CCNc3cc(N4CCCCC4)[nH+]cn3)nc2c1 ZINC000302460163 1027159014 /nfs/dbraw/zinc/15/90/14/1027159014.db2.gz RHEGVNZVBKRPDS-UHFFFAOYSA-N 1 2 339.468 3.731 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCCS2)C[C@@H](C)O1 ZINC000272957277 1027197493 /nfs/dbraw/zinc/19/74/93/1027197493.db2.gz LOCRPAAEYIKCKN-RKVPGOIHSA-N 1 2 348.512 3.520 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915385 1027209114 /nfs/dbraw/zinc/20/91/14/1027209114.db2.gz QCVNBBUFKWYICL-UYAOXDASSA-N 1 2 341.499 3.959 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915385 1027209125 /nfs/dbraw/zinc/20/91/25/1027209125.db2.gz QCVNBBUFKWYICL-UYAOXDASSA-N 1 2 341.499 3.959 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000076051422 1027232747 /nfs/dbraw/zinc/23/27/47/1027232747.db2.gz HFGVQAYUYVVTSJ-GXTWGEPZSA-N 1 2 332.835 3.713 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1[nH]ncc1Br ZINC000531714157 1027242660 /nfs/dbraw/zinc/24/26/60/1027242660.db2.gz PEFDZVPLBLXMRR-HNNXBMFYSA-N 1 2 336.277 3.919 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416105 1027255724 /nfs/dbraw/zinc/25/57/24/1027255724.db2.gz GWFBFLDADNACSK-BMIGLBTASA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416105 1027255736 /nfs/dbraw/zinc/25/57/36/1027255736.db2.gz GWFBFLDADNACSK-BMIGLBTASA-N 1 2 333.234 3.605 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(F)C2)ccc1Br ZINC000501410109 1027266018 /nfs/dbraw/zinc/26/60/18/1027266018.db2.gz LVDYPLLKCGXDQE-XHDPSFHLSA-N 1 2 343.240 3.518 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(F)C2)ccc1Br ZINC000501410109 1027266036 /nfs/dbraw/zinc/26/60/36/1027266036.db2.gz LVDYPLLKCGXDQE-XHDPSFHLSA-N 1 2 343.240 3.518 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1Cc1ccccc1 ZINC000076340963 1027273940 /nfs/dbraw/zinc/27/39/40/1027273940.db2.gz MGAZWNJGRFFZEA-NRFANRHFSA-N 1 2 345.446 3.779 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc(C2CC2)nc1 ZINC000459285906 1027279729 /nfs/dbraw/zinc/27/97/29/1027279729.db2.gz GYCCMMMZUVRMFX-UHFFFAOYSA-N 1 2 338.455 3.513 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc(C2CC2)nc1 ZINC000459285906 1027279747 /nfs/dbraw/zinc/27/97/47/1027279747.db2.gz GYCCMMMZUVRMFX-UHFFFAOYSA-N 1 2 338.455 3.513 20 0 EHADLO CC(C)c1nc(N2CCN(c3cccc[nH+]3)CC2)cc(C(C)(C)C)n1 ZINC000302777392 1027286028 /nfs/dbraw/zinc/28/60/28/1027286028.db2.gz PKPNSAWCRSVBQD-UHFFFAOYSA-N 1 2 339.487 3.619 20 0 EHADLO FC(F)(F)c1ccc(CCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302799214 1027296305 /nfs/dbraw/zinc/29/63/05/1027296305.db2.gz RVZQFZSYVUOVOS-UHFFFAOYSA-N 1 2 336.361 3.750 20 0 EHADLO FC(F)(F)c1ccc(CCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302799214 1027296328 /nfs/dbraw/zinc/29/63/28/1027296328.db2.gz RVZQFZSYVUOVOS-UHFFFAOYSA-N 1 2 336.361 3.750 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2nc3ccccc3n2C(C)C)n1C ZINC000342810797 1027297412 /nfs/dbraw/zinc/29/74/12/1027297412.db2.gz WVCNKECOTNWUNP-GOSISDBHSA-N 1 2 337.471 3.996 20 0 EHADLO O=C(CCc1ccnc2ccccc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000076563368 1027300322 /nfs/dbraw/zinc/30/03/22/1027300322.db2.gz TZSFTJZGQYXQSD-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO Cc1nnc([C@H](C)[N@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000273205886 1027311224 /nfs/dbraw/zinc/31/12/24/1027311224.db2.gz SZHIEFSWVLSOTG-NSHDSACASA-N 1 2 325.865 3.962 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000273205886 1027311244 /nfs/dbraw/zinc/31/12/44/1027311244.db2.gz SZHIEFSWVLSOTG-NSHDSACASA-N 1 2 325.865 3.962 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(Cl)c1 ZINC000076677677 1027311437 /nfs/dbraw/zinc/31/14/37/1027311437.db2.gz HDGPTKBRHOZXKC-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(Cl)c1 ZINC000076677677 1027311455 /nfs/dbraw/zinc/31/14/55/1027311455.db2.gz HDGPTKBRHOZXKC-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000513716702 1027329114 /nfs/dbraw/zinc/32/91/14/1027329114.db2.gz GRGNSTIZNITKKM-IBGZPJMESA-N 1 2 330.859 3.980 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000513716702 1027329131 /nfs/dbraw/zinc/32/91/31/1027329131.db2.gz GRGNSTIZNITKKM-IBGZPJMESA-N 1 2 330.859 3.980 20 0 EHADLO Cc1oc2ccccc2c1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302867873 1027334440 /nfs/dbraw/zinc/33/44/40/1027334440.db2.gz ZSZFACJVTIVQNP-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO Cc1oc2ccccc2c1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302867873 1027334458 /nfs/dbraw/zinc/33/44/58/1027334458.db2.gz ZSZFACJVTIVQNP-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO CCS[C@@H]1CCC[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302878258 1027341462 /nfs/dbraw/zinc/34/14/62/1027341462.db2.gz GJFMDYATTSGPLX-UONOGXRCSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@@H]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302878258 1027341478 /nfs/dbraw/zinc/34/14/78/1027341478.db2.gz GJFMDYATTSGPLX-UONOGXRCSA-N 1 2 338.546 3.506 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](C)CCCOCc2ccccc2)cs1 ZINC000273284780 1027358200 /nfs/dbraw/zinc/35/82/00/1027358200.db2.gz JMSMHKCCPOILIP-HNNXBMFYSA-N 1 2 334.485 3.889 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCOCc2ccccc2)cs1 ZINC000273284780 1027358217 /nfs/dbraw/zinc/35/82/17/1027358217.db2.gz JMSMHKCCPOILIP-HNNXBMFYSA-N 1 2 334.485 3.889 20 0 EHADLO C[C@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)[C@H](c2ccco2)C1 ZINC000302917700 1027363134 /nfs/dbraw/zinc/36/31/34/1027363134.db2.gz XFZUJTMQHUQKKI-GJZGRUSLSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)[C@H](c2ccco2)C1 ZINC000302917700 1027363149 /nfs/dbraw/zinc/36/31/49/1027363149.db2.gz XFZUJTMQHUQKKI-GJZGRUSLSA-N 1 2 344.484 3.600 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c[nH+]1 ZINC000536574301 1027485362 /nfs/dbraw/zinc/48/53/62/1027485362.db2.gz AJNIHOWATFFRPM-UHFFFAOYSA-N 1 2 345.402 3.625 20 0 EHADLO Cc1cc(NC(=O)COc2ccccc2Cc2ccccc2)c(C)c[nH+]1 ZINC000536574618 1027491547 /nfs/dbraw/zinc/49/15/47/1027491547.db2.gz IDUHLKZAFLHAEZ-UHFFFAOYSA-N 1 2 346.430 3.729 20 0 EHADLO CC[C@H](Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)c1ccncc1 ZINC000453187860 1027510602 /nfs/dbraw/zinc/51/06/02/1027510602.db2.gz DIPUVMKSPCAUOY-MPGHIAIKSA-N 1 2 326.444 3.653 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000273644419 1027536200 /nfs/dbraw/zinc/53/62/00/1027536200.db2.gz VKFQPCCXGCUUGU-LLVKDONJSA-N 1 2 333.457 3.653 20 0 EHADLO Cc1ccc(Cc2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000273685326 1027558118 /nfs/dbraw/zinc/55/81/18/1027558118.db2.gz IUSMDPAYCKPSLT-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO Cc1ccc(Cc2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000273685326 1027558130 /nfs/dbraw/zinc/55/81/30/1027558130.db2.gz IUSMDPAYCKPSLT-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)c3ccc(Cl)cc3)no2)C1 ZINC000420494749 1027561484 /nfs/dbraw/zinc/56/14/84/1027561484.db2.gz ACADDJGCFJACTO-OAHLLOKOSA-N 1 2 349.862 3.831 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(C(C)(C)c3ccc(Cl)cc3)no2)C1 ZINC000420494749 1027561496 /nfs/dbraw/zinc/56/14/96/1027561496.db2.gz ACADDJGCFJACTO-OAHLLOKOSA-N 1 2 349.862 3.831 20 0 EHADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)C1 ZINC000420496504 1027566226 /nfs/dbraw/zinc/56/62/26/1027566226.db2.gz WCNYATHDYHDRSK-CQSZACIVSA-N 1 2 347.802 3.838 20 0 EHADLO CC[N@H+]1CCO[C@@H](c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)C1 ZINC000420496504 1027566231 /nfs/dbraw/zinc/56/62/31/1027566231.db2.gz WCNYATHDYHDRSK-CQSZACIVSA-N 1 2 347.802 3.838 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047648485 1027601433 /nfs/dbraw/zinc/60/14/33/1027601433.db2.gz YJHUGEPFXXVSLS-MRXNPFEDSA-N 1 2 328.460 3.555 20 0 EHADLO CCc1occc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000282006513 1027643482 /nfs/dbraw/zinc/64/34/82/1027643482.db2.gz OZGLSGNXYRGDJA-GJZGRUSLSA-N 1 2 342.439 3.704 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130256837 1027649356 /nfs/dbraw/zinc/64/93/56/1027649356.db2.gz RZUAFESZWMLPQH-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO CC[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000420642156 1027665808 /nfs/dbraw/zinc/66/58/08/1027665808.db2.gz SMEIYUKUFWCERM-KGLIPLIRSA-N 1 2 335.245 3.789 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628155566 1027666312 /nfs/dbraw/zinc/66/63/12/1027666312.db2.gz DWJWLMSUVOTEPL-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628155566 1027666318 /nfs/dbraw/zinc/66/63/18/1027666318.db2.gz DWJWLMSUVOTEPL-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000422269617 1027678164 /nfs/dbraw/zinc/67/81/64/1027678164.db2.gz VOBZASZAGUCDMY-CABCVRRESA-N 1 2 348.397 3.695 20 0 EHADLO O=C(CC/C=C/c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000130586222 1027682684 /nfs/dbraw/zinc/68/26/84/1027682684.db2.gz RWIHHIVDSALINJ-ONNFQVAWSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(NCCCC1CCCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000503263611 1027695923 /nfs/dbraw/zinc/69/59/23/1027695923.db2.gz VOWJRLASQSXCTE-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO Cc1ccc(SCCNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420773983 1027720682 /nfs/dbraw/zinc/72/06/82/1027720682.db2.gz RGKNMGUTYWCMPJ-UHFFFAOYSA-N 1 2 329.469 3.598 20 0 EHADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)on1 ZINC000582794035 1027740247 /nfs/dbraw/zinc/74/02/47/1027740247.db2.gz ZLRUMZRHBIPPFG-OAHLLOKOSA-N 1 2 336.844 3.897 20 0 EHADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)on1 ZINC000582794035 1027740266 /nfs/dbraw/zinc/74/02/66/1027740266.db2.gz ZLRUMZRHBIPPFG-OAHLLOKOSA-N 1 2 336.844 3.897 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000523107120 1027740790 /nfs/dbraw/zinc/74/07/90/1027740790.db2.gz JGKCLVFQNMBROJ-UHFFFAOYSA-N 1 2 331.419 3.665 20 0 EHADLO CN(C[C@@H]1CCCOC1)c1cc[nH+]c2c(Br)cccc12 ZINC000107674027 1027752129 /nfs/dbraw/zinc/75/21/29/1027752129.db2.gz DLIJVIVANRGIPG-LBPRGKRZSA-N 1 2 335.245 3.860 20 0 EHADLO COC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(Cl)cc1 ZINC000420833772 1027768216 /nfs/dbraw/zinc/76/82/16/1027768216.db2.gz GRIPCBQDHQPFMW-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(OC3CCCCC3)CC2)cc(C)[nH+]1 ZINC000420861644 1027778584 /nfs/dbraw/zinc/77/85/84/1027778584.db2.gz OVWXAZGNYYPXNL-UHFFFAOYSA-N 1 2 345.487 3.722 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](CC(F)(F)F)C2)c[nH+]1 ZINC000420862445 1027779638 /nfs/dbraw/zinc/77/96/38/1027779638.db2.gz QDIJYTVYEIXEKA-CYBMUJFWSA-N 1 2 329.366 3.572 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000503415927 1027781805 /nfs/dbraw/zinc/78/18/05/1027781805.db2.gz TVPYRTUYJKMZSR-QZTJIDSGSA-N 1 2 340.471 3.886 20 0 EHADLO Cc1cc(CNC(=O)N(CCC(F)(F)F)CC2CC2)cc(C)[nH+]1 ZINC000420842169 1027782864 /nfs/dbraw/zinc/78/28/64/1027782864.db2.gz DAEKDBKTPNGRIG-UHFFFAOYSA-N 1 2 329.366 3.572 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1nc2ccccc2[nH]1 ZINC000420844301 1027786473 /nfs/dbraw/zinc/78/64/73/1027786473.db2.gz GKPLUYKAPKINLQ-OAHLLOKOSA-N 1 2 337.427 3.525 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc(C)[nH+]1 ZINC000420847975 1027789760 /nfs/dbraw/zinc/78/97/60/1027789760.db2.gz LKLTVZAFQSIRJJ-OCCSQVGLSA-N 1 2 329.366 3.571 20 0 EHADLO COCCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H](C)c1ccccc1 ZINC000420852783 1027795464 /nfs/dbraw/zinc/79/54/64/1027795464.db2.gz SLKHIXDHSVZPFG-QGZVFWFLSA-N 1 2 341.455 3.618 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872910 1027801982 /nfs/dbraw/zinc/80/19/82/1027801982.db2.gz IYWYQLBKSRJETJ-BETUJISGSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872910 1027802002 /nfs/dbraw/zinc/80/20/02/1027802002.db2.gz IYWYQLBKSRJETJ-BETUJISGSA-N 1 2 326.843 3.700 20 0 EHADLO CC(=O)Nc1cc(NCc2cc(C)[nH+]c3c2CCCC3)ccc1F ZINC000892308177 1027816883 /nfs/dbraw/zinc/81/68/83/1027816883.db2.gz TVEGRYQGUXPPAQ-UHFFFAOYSA-N 1 2 327.403 3.978 20 0 EHADLO Cn1ncc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1C(F)(F)F ZINC000131814662 1027821971 /nfs/dbraw/zinc/82/19/71/1027821971.db2.gz NQWJZBQVXNOYHM-INIZCTEOSA-N 1 2 346.356 3.713 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110114204 1027856270 /nfs/dbraw/zinc/85/62/70/1027856270.db2.gz BKMUQUYUDNEQRG-SFHVURJKSA-N 1 2 338.455 3.817 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110114204 1027856290 /nfs/dbraw/zinc/85/62/90/1027856290.db2.gz BKMUQUYUDNEQRG-SFHVURJKSA-N 1 2 338.455 3.817 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)n1 ZINC000414479134 1027878008 /nfs/dbraw/zinc/87/80/08/1027878008.db2.gz HXFFTZZKSAITPJ-UHFFFAOYSA-N 1 2 334.670 3.670 20 0 EHADLO Cc1cn2c(n1)CN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000359998818 1027894371 /nfs/dbraw/zinc/89/43/71/1027894371.db2.gz XUNGAUDBVPQOCZ-UHFFFAOYSA-N 1 2 343.228 3.522 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H](CC(F)F)c1ccccc1 ZINC000420916619 1027902730 /nfs/dbraw/zinc/90/27/30/1027902730.db2.gz MKQVUMRAVHGUSJ-HNNXBMFYSA-N 1 2 348.397 3.579 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420947721 1027908601 /nfs/dbraw/zinc/90/86/01/1027908601.db2.gz OQXPSTFKVXXOAU-QGZVFWFLSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420947721 1027908614 /nfs/dbraw/zinc/90/86/14/1027908614.db2.gz OQXPSTFKVXXOAU-QGZVFWFLSA-N 1 2 326.831 3.959 20 0 EHADLO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1c[nH+]ccc1N ZINC000422744954 1027910170 /nfs/dbraw/zinc/91/01/70/1027910170.db2.gz WVTPSVTXHHEODF-UTKZUKDTSA-N 1 2 338.499 3.618 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952317 1027913896 /nfs/dbraw/zinc/91/38/96/1027913896.db2.gz SAUZILNNOQJNHM-SWLSCSKDSA-N 1 2 344.352 3.595 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952317 1027913910 /nfs/dbraw/zinc/91/39/10/1027913910.db2.gz SAUZILNNOQJNHM-SWLSCSKDSA-N 1 2 344.352 3.595 20 0 EHADLO Cn1ncc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1C(F)(F)F ZINC000132536838 1027935587 /nfs/dbraw/zinc/93/55/87/1027935587.db2.gz IBLPTBXBULLWOM-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1ncc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1C(F)(F)F ZINC000132536838 1027935598 /nfs/dbraw/zinc/93/55/98/1027935598.db2.gz IBLPTBXBULLWOM-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H](CC)O1 ZINC000420966464 1027936887 /nfs/dbraw/zinc/93/68/87/1027936887.db2.gz ZWWWPIJCEUKTTN-OKZBNKHCSA-N 1 2 332.488 3.828 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H](CC)O1 ZINC000420966464 1027936895 /nfs/dbraw/zinc/93/68/95/1027936895.db2.gz ZWWWPIJCEUKTTN-OKZBNKHCSA-N 1 2 332.488 3.828 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000132630966 1027947993 /nfs/dbraw/zinc/94/79/93/1027947993.db2.gz YVIUENKZBOUJQJ-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)C3CC(OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000421007064 1027983486 /nfs/dbraw/zinc/98/34/86/1027983486.db2.gz KRKUWUDFFOQRSC-UHFFFAOYSA-N 1 2 349.500 3.792 20 0 EHADLO Cc1sc2nc(C[N@H+](C)C3CC(OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000421007064 1027983500 /nfs/dbraw/zinc/98/35/00/1027983500.db2.gz KRKUWUDFFOQRSC-UHFFFAOYSA-N 1 2 349.500 3.792 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@@H+]2Cc2ncccn2)c1 ZINC000421028436 1027989517 /nfs/dbraw/zinc/98/95/17/1027989517.db2.gz AAXDBWNOFJNDCL-MRXNPFEDSA-N 1 2 346.272 3.836 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@H+]2Cc2ncccn2)c1 ZINC000421028436 1027989531 /nfs/dbraw/zinc/98/95/31/1027989531.db2.gz AAXDBWNOFJNDCL-MRXNPFEDSA-N 1 2 346.272 3.836 20 0 EHADLO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C1CC(OC(C)(C)C)C1 ZINC000421018297 1028003891 /nfs/dbraw/zinc/00/38/91/1028003891.db2.gz WTFJDGWLZKZAJQ-UHFFFAOYSA-N 1 2 347.434 3.577 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C1CC(OC(C)(C)C)C1 ZINC000421018297 1028003906 /nfs/dbraw/zinc/00/39/06/1028003906.db2.gz WTFJDGWLZKZAJQ-UHFFFAOYSA-N 1 2 347.434 3.577 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421057430 1028018736 /nfs/dbraw/zinc/01/87/36/1028018736.db2.gz HHDIOIGYXHJXHK-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c(-c2ccccc2)n1 ZINC000342907617 1028052696 /nfs/dbraw/zinc/05/26/96/1028052696.db2.gz GYPREKLEXLMNQE-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO Cn1cc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c(-c2ccccc2)n1 ZINC000342907617 1028052712 /nfs/dbraw/zinc/05/27/12/1028052712.db2.gz GYPREKLEXLMNQE-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC23CCC3)c(C)c1 ZINC000533543469 1028054854 /nfs/dbraw/zinc/05/48/54/1028054854.db2.gz FAJOJIOYUAXVPV-GOSISDBHSA-N 1 2 338.455 3.579 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000422917496 1028073716 /nfs/dbraw/zinc/07/37/16/1028073716.db2.gz FEELJLUPJOHHGE-SFHVURJKSA-N 1 2 332.394 3.747 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342916461 1028099209 /nfs/dbraw/zinc/09/92/09/1028099209.db2.gz JVYLIOCPVDEANR-ACJLOTCBSA-N 1 2 346.862 3.918 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342916461 1028099232 /nfs/dbraw/zinc/09/92/32/1028099232.db2.gz JVYLIOCPVDEANR-ACJLOTCBSA-N 1 2 346.862 3.918 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000444691138 1028162768 /nfs/dbraw/zinc/16/27/68/1028162768.db2.gz CPKWHWALPAYUKI-YSGRDPCXSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000444691138 1028162779 /nfs/dbraw/zinc/16/27/79/1028162779.db2.gz CPKWHWALPAYUKI-YSGRDPCXSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2OC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000125909905 1028165063 /nfs/dbraw/zinc/16/50/63/1028165063.db2.gz FDQHHCSXSCRROB-YJBOKZPZSA-N 1 2 339.439 3.538 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444693998 1028167286 /nfs/dbraw/zinc/16/72/86/1028167286.db2.gz IUMCZEMHQMUYCT-JSGCOSHPSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444693998 1028167293 /nfs/dbraw/zinc/16/72/93/1028167293.db2.gz IUMCZEMHQMUYCT-JSGCOSHPSA-N 1 2 339.361 3.996 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000503861491 1028173969 /nfs/dbraw/zinc/17/39/69/1028173969.db2.gz VTDZDFDEQHGJMP-RDJZCZTQSA-N 1 2 345.512 3.961 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000153560326 1028176369 /nfs/dbraw/zinc/17/63/69/1028176369.db2.gz LBHZDVYBDVPPSL-SUMWQHHRSA-N 1 2 345.830 3.659 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423103681 1028198920 /nfs/dbraw/zinc/19/89/20/1028198920.db2.gz XUNASHPYXJBZRF-UGSOOPFHSA-N 1 2 346.421 3.837 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1(c2ccccc2)CCC1 ZINC000548779056 1028200342 /nfs/dbraw/zinc/20/03/42/1028200342.db2.gz XBHVTCAEURBAPD-UHFFFAOYSA-N 1 2 347.422 3.527 20 0 EHADLO C[C@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000421216012 1028201126 /nfs/dbraw/zinc/20/11/26/1028201126.db2.gz DWSYSVYCIFDTSS-CYBMUJFWSA-N 1 2 333.419 3.950 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000135567949 1028205093 /nfs/dbraw/zinc/20/50/93/1028205093.db2.gz JJQOZJKHUXTQJR-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000135567949 1028205102 /nfs/dbraw/zinc/20/51/02/1028205102.db2.gz JJQOZJKHUXTQJR-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO COc1ccc(CSCCn2cc[nH+]c2)c(Br)c1 ZINC000421221549 1028205995 /nfs/dbraw/zinc/20/59/95/1028205995.db2.gz QLFCJPGVTQAHIM-UHFFFAOYSA-N 1 2 327.247 3.588 20 0 EHADLO CCOc1cccc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455474978 1028208639 /nfs/dbraw/zinc/20/86/39/1028208639.db2.gz DHTIHCQAHSYMBD-UHFFFAOYSA-N 1 2 327.428 3.770 20 0 EHADLO CC[C@H](C)Oc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccn1 ZINC000455495906 1028227261 /nfs/dbraw/zinc/22/72/61/1028227261.db2.gz OORGURNPXDCGIC-AWEZNQCLSA-N 1 2 342.443 3.901 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)c1 ZINC000444743635 1028228097 /nfs/dbraw/zinc/22/80/97/1028228097.db2.gz ZWHWXLFJSXAKQW-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)c1 ZINC000444743635 1028228117 /nfs/dbraw/zinc/22/81/17/1028228117.db2.gz ZWHWXLFJSXAKQW-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO Fc1cccc2c1C[N@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342933963 1028228771 /nfs/dbraw/zinc/22/87/71/1028228771.db2.gz POADHXGSNLGJRO-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO Fc1cccc2c1C[N@@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342933963 1028228789 /nfs/dbraw/zinc/22/87/89/1028228789.db2.gz POADHXGSNLGJRO-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423158983 1028232073 /nfs/dbraw/zinc/23/20/73/1028232073.db2.gz OLVLFTHFRMTLPD-ABAIWWIYSA-N 1 2 335.498 3.521 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000444746114 1028232711 /nfs/dbraw/zinc/23/27/11/1028232711.db2.gz UGKKMULECLOCPD-CQSZACIVSA-N 1 2 346.471 3.601 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000444746114 1028232724 /nfs/dbraw/zinc/23/27/24/1028232724.db2.gz UGKKMULECLOCPD-CQSZACIVSA-N 1 2 346.471 3.601 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cnn(Cc3ccccc3)c2)c(C)[nH+]1 ZINC000455481794 1028246260 /nfs/dbraw/zinc/24/62/60/1028246260.db2.gz PHNGISQJBSKPKF-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO COCCOc1cccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455487597 1028257583 /nfs/dbraw/zinc/25/75/83/1028257583.db2.gz SWELKKMFXCFUPK-UHFFFAOYSA-N 1 2 329.400 3.676 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)o2)c(C)o1 ZINC000091081949 1028257924 /nfs/dbraw/zinc/25/79/24/1028257924.db2.gz GWRXHZPTLTXNDK-OAHLLOKOSA-N 1 2 341.415 3.623 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)o2)c(C)o1 ZINC000091081949 1028257931 /nfs/dbraw/zinc/25/79/31/1028257931.db2.gz GWRXHZPTLTXNDK-OAHLLOKOSA-N 1 2 341.415 3.623 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287918 1028304205 /nfs/dbraw/zinc/30/42/05/1028304205.db2.gz SZPMTMBKHJNMQP-SJLPKXTDSA-N 1 2 344.503 3.661 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455534540 1028310699 /nfs/dbraw/zinc/31/06/99/1028310699.db2.gz GYBGWSKBFDMYOM-WBVHZDCISA-N 1 2 332.492 3.905 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c[nH+]1 ZINC000455534745 1028312226 /nfs/dbraw/zinc/31/22/26/1028312226.db2.gz AEQSOIVIJVKLEW-HXPMCKFVSA-N 1 2 341.430 3.960 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455539274 1028318586 /nfs/dbraw/zinc/31/85/86/1028318586.db2.gz DMZCNMVEZNLPHY-UHFFFAOYSA-N 1 2 329.419 3.959 20 0 EHADLO CCOc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056530022 1028328286 /nfs/dbraw/zinc/32/82/86/1028328286.db2.gz DAWVOLADWCOBJD-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO Cc1cc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cc[nH+]1 ZINC000066619054 1028334672 /nfs/dbraw/zinc/33/46/72/1028334672.db2.gz LDPGOTIDJVWFOB-UHFFFAOYSA-N 1 2 326.787 3.696 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523445730 1028341609 /nfs/dbraw/zinc/34/16/09/1028341609.db2.gz XENPTTYOHDNCNF-MRXNPFEDSA-N 1 2 340.442 3.794 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523445730 1028341627 /nfs/dbraw/zinc/34/16/27/1028341627.db2.gz XENPTTYOHDNCNF-MRXNPFEDSA-N 1 2 340.442 3.794 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)o1 ZINC000066865304 1028344816 /nfs/dbraw/zinc/34/48/16/1028344816.db2.gz MQOJFVLBGSDMCN-UHFFFAOYSA-N 1 2 341.455 3.567 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)o1 ZINC000066865304 1028344835 /nfs/dbraw/zinc/34/48/35/1028344835.db2.gz MQOJFVLBGSDMCN-UHFFFAOYSA-N 1 2 341.455 3.567 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)C(C)C)CC2)c1 ZINC000473545477 1028359475 /nfs/dbraw/zinc/35/94/75/1028359475.db2.gz BJGSZUOQKWEBIC-MRXNPFEDSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)nn1C ZINC000421389765 1028364024 /nfs/dbraw/zinc/36/40/24/1028364024.db2.gz YJLMRRGOACEAAU-LLVKDONJSA-N 1 2 347.825 3.558 20 0 EHADLO CCO[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1 ZINC000444898355 1028397442 /nfs/dbraw/zinc/39/74/42/1028397442.db2.gz HHRDHFFYYXIGCM-KRWDZBQOSA-N 1 2 338.411 3.542 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000141375112 1028421378 /nfs/dbraw/zinc/42/13/78/1028421378.db2.gz JDDBOKXQYQHRCO-JKSUJKDBSA-N 1 2 334.508 3.599 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1c(C)nn(-c3ccccc3C)c1C)C2 ZINC000897333644 1028443837 /nfs/dbraw/zinc/44/38/37/1028443837.db2.gz IPQOVHPZDRYADH-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1c(C)nn(-c3ccccc3C)c1C)C2 ZINC000897333644 1028443841 /nfs/dbraw/zinc/44/38/41/1028443841.db2.gz IPQOVHPZDRYADH-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c[nH+]1 ZINC000455556832 1028446008 /nfs/dbraw/zinc/44/60/08/1028446008.db2.gz HNFALQUQNDZNQK-QGZVFWFLSA-N 1 2 325.412 3.728 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)cc2)n1 ZINC000729683874 1028464417 /nfs/dbraw/zinc/46/44/17/1028464417.db2.gz DYZDWUCLLNEEAC-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@H](C)O1 ZINC000523610169 1028464887 /nfs/dbraw/zinc/46/48/87/1028464887.db2.gz CXUYHHXSBVBNPV-FUHWJXTLSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@H](C)O1 ZINC000523610169 1028464892 /nfs/dbraw/zinc/46/48/92/1028464892.db2.gz CXUYHHXSBVBNPV-FUHWJXTLSA-N 1 2 340.467 3.692 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)c2cc1C ZINC000193853833 1028471989 /nfs/dbraw/zinc/47/19/89/1028471989.db2.gz WBRZLPUGRNMWTB-HNNXBMFYSA-N 1 2 337.423 3.513 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)c2cc1C ZINC000193853833 1028472005 /nfs/dbraw/zinc/47/20/05/1028472005.db2.gz WBRZLPUGRNMWTB-HNNXBMFYSA-N 1 2 337.423 3.513 20 0 EHADLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccc(Cl)c1 ZINC000121818736 1028475966 /nfs/dbraw/zinc/47/59/66/1028475966.db2.gz WDGMDULTZFGQON-UHFFFAOYSA-N 1 2 333.848 3.607 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H](c2ccsc2)O1 ZINC000246408387 1028476824 /nfs/dbraw/zinc/47/68/24/1028476824.db2.gz JDILDMUWUQMWQZ-BEFAXECRSA-N 1 2 339.464 3.896 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H](c2ccsc2)O1 ZINC000246408387 1028476847 /nfs/dbraw/zinc/47/68/47/1028476847.db2.gz JDILDMUWUQMWQZ-BEFAXECRSA-N 1 2 339.464 3.896 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421495957 1028477386 /nfs/dbraw/zinc/47/73/86/1028477386.db2.gz LADTURAMVXMOQZ-UXLLHSPISA-N 1 2 333.435 3.977 20 0 EHADLO C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072052263 1028495566 /nfs/dbraw/zinc/49/55/66/1028495566.db2.gz DEFYCODFTJPECV-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO Cc1nc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)sc1C ZINC000194229364 1028502033 /nfs/dbraw/zinc/50/20/33/1028502033.db2.gz RYEFCAUEANSOJA-UHFFFAOYSA-N 1 2 346.481 3.588 20 0 EHADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000523698379 1028551026 /nfs/dbraw/zinc/55/10/26/1028551026.db2.gz CXGAKAFDFBQAMT-UHFFFAOYSA-N 1 2 343.858 3.822 20 0 EHADLO c1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)co1 ZINC000236580606 1028551457 /nfs/dbraw/zinc/55/14/57/1028551457.db2.gz DXPQBAAIOQPLLK-UHFFFAOYSA-N 1 2 344.418 3.876 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3ccc(Cl)cc3C2)c[nH+]1 ZINC000455571464 1028567154 /nfs/dbraw/zinc/56/71/54/1028567154.db2.gz NKAHBLKAXHLCLI-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cc(CNC(=O)CCc2cccc(OC(C)(C)C)n2)cc(C)[nH+]1 ZINC000421575279 1028570809 /nfs/dbraw/zinc/57/08/09/1028570809.db2.gz JOPFDSWPAQYPJC-UHFFFAOYSA-N 1 2 341.455 3.520 20 0 EHADLO COC(=O)c1c(Cl)nccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086628 1028597785 /nfs/dbraw/zinc/59/77/85/1028597785.db2.gz UOORDPKKNJQLKF-UHFFFAOYSA-N 1 2 328.759 3.655 20 0 EHADLO CCC(CC)n1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000502731111 1028615708 /nfs/dbraw/zinc/61/57/08/1028615708.db2.gz AFWRULPGWRXSQB-UHFFFAOYSA-N 1 2 344.478 3.701 20 0 EHADLO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079321369 1028629275 /nfs/dbraw/zinc/62/92/75/1028629275.db2.gz WZGUMMLWGACGKJ-OAHLLOKOSA-N 1 2 340.851 3.881 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c(F)c1 ZINC000195343024 1028632402 /nfs/dbraw/zinc/63/24/02/1028632402.db2.gz UFPYDGYCSULIGS-KBPBESRZSA-N 1 2 347.459 3.797 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c(F)c1 ZINC000195343024 1028632411 /nfs/dbraw/zinc/63/24/11/1028632411.db2.gz UFPYDGYCSULIGS-KBPBESRZSA-N 1 2 347.459 3.797 20 0 EHADLO CC(C)[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000079406782 1028685322 /nfs/dbraw/zinc/68/53/22/1028685322.db2.gz XDTIGVGYQSQYSZ-NRFANRHFSA-N 1 2 347.462 3.987 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C(c1ccccc1)c1ccccc1 ZINC000509669841 1028711636 /nfs/dbraw/zinc/71/16/36/1028711636.db2.gz WPQKWNWXVAUGHS-HNNXBMFYSA-N 1 2 343.434 3.996 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000245460275 1028714623 /nfs/dbraw/zinc/71/46/23/1028714623.db2.gz VRYYRKUGPGSYBC-YPMHNXCESA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000245460275 1028714640 /nfs/dbraw/zinc/71/46/40/1028714640.db2.gz VRYYRKUGPGSYBC-YPMHNXCESA-N 1 2 342.892 3.503 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000247030403 1028730879 /nfs/dbraw/zinc/73/08/79/1028730879.db2.gz DMAHGIMWTBDZTD-BTUGEOGJSA-N 1 2 339.439 3.722 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)n2)CC1 ZINC000421746161 1028745760 /nfs/dbraw/zinc/74/57/60/1028745760.db2.gz ASNQVJIDPCEYDU-RBSFLKMASA-N 1 2 333.501 3.750 20 0 EHADLO CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000454313214 1028752628 /nfs/dbraw/zinc/75/26/28/1028752628.db2.gz HSLFNHPBORKSSZ-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO c1csc(-c2cc(C[NH+]3CCC(Oc4ccccn4)CC3)no2)c1 ZINC000532729493 1028753884 /nfs/dbraw/zinc/75/38/84/1028753884.db2.gz ITKUMNWUPSCKLX-UHFFFAOYSA-N 1 2 341.436 3.842 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000122855447 1028755187 /nfs/dbraw/zinc/75/51/87/1028755187.db2.gz HYNKDFQFHCFUJC-MLCBILRFSA-N 1 2 335.407 3.752 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C)(C)C2)c(C)c1 ZINC000532753503 1028760283 /nfs/dbraw/zinc/76/02/83/1028760283.db2.gz VPOZFQVJZRLJKB-GOSISDBHSA-N 1 2 340.471 3.683 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001211976662 1028765858 /nfs/dbraw/zinc/76/58/58/1028765858.db2.gz LKAVTAUOMNINRT-UHFFFAOYSA-N 1 2 337.379 3.801 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1 ZINC000502876505 1028768647 /nfs/dbraw/zinc/76/86/47/1028768647.db2.gz IVZYAINIUHUGCZ-HXUWFJFHSA-N 1 2 344.405 3.564 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1 ZINC000502876505 1028768656 /nfs/dbraw/zinc/76/86/56/1028768656.db2.gz IVZYAINIUHUGCZ-HXUWFJFHSA-N 1 2 344.405 3.564 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@@H](C)[C@H](C)C2)c(C)c1 ZINC000532752698 1028773472 /nfs/dbraw/zinc/77/34/72/1028773472.db2.gz PNRMJXNEWDFMFO-LMMKCTJWSA-N 1 2 340.471 3.539 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245538840 1028781828 /nfs/dbraw/zinc/78/18/28/1028781828.db2.gz KMGFGLGYTOXVCF-VQIMIIECSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245538840 1028781841 /nfs/dbraw/zinc/78/18/41/1028781841.db2.gz KMGFGLGYTOXVCF-VQIMIIECSA-N 1 2 325.456 3.732 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000247596554 1028804721 /nfs/dbraw/zinc/80/47/21/1028804721.db2.gz MVZNZFLOXCOYGV-ATZDWAIDSA-N 1 2 338.455 3.627 20 0 EHADLO Cc1nc(-c2ccccc2)c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000532762328 1028811623 /nfs/dbraw/zinc/81/16/23/1028811623.db2.gz YAKRACSIGKDHLQ-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000153847632 1028816562 /nfs/dbraw/zinc/81/65/62/1028816562.db2.gz SYFSQFSCCIQVAE-HNNXBMFYSA-N 1 2 331.410 3.547 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000421833853 1028824103 /nfs/dbraw/zinc/82/41/03/1028824103.db2.gz JQTZRZHENGZXDH-CYBMUJFWSA-N 1 2 347.846 3.753 20 0 EHADLO Cc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(C)n1 ZINC000421852381 1028843299 /nfs/dbraw/zinc/84/32/99/1028843299.db2.gz HIRKGKOYUDAWDD-IBGZPJMESA-N 1 2 340.858 3.965 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000424130850 1028846816 /nfs/dbraw/zinc/84/68/16/1028846816.db2.gz IDKLBTLXSROSMV-KRWDZBQOSA-N 1 2 343.862 3.730 20 0 EHADLO Cc1ccc(C)c(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445485184 1028847031 /nfs/dbraw/zinc/84/70/31/1028847031.db2.gz YSYMDNVQJNNHRP-DEOSSOPVSA-N 1 2 338.476 3.997 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000424180620 1028852973 /nfs/dbraw/zinc/85/29/73/1028852973.db2.gz WAVDZEJHYFKKTL-UHFFFAOYSA-N 1 2 349.360 3.703 20 0 EHADLO Cc1c(NCc2c[nH+]cn2C(C)C)cccc1C(=O)N1CCCC1 ZINC000424161818 1028863130 /nfs/dbraw/zinc/86/31/30/1028863130.db2.gz YUCPTBMNDJDGFV-UHFFFAOYSA-N 1 2 326.444 3.621 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc3cccnc32)c1 ZINC000114252194 1028892783 /nfs/dbraw/zinc/89/27/83/1028892783.db2.gz SQIWINNYRSDPHB-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO F[C@@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000424223427 1028895843 /nfs/dbraw/zinc/89/58/43/1028895843.db2.gz PQRKMHXCIFFLBY-DLBZAZTESA-N 1 2 345.418 3.565 20 0 EHADLO F[C@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000424223430 1028897078 /nfs/dbraw/zinc/89/70/78/1028897078.db2.gz PQRKMHXCIFFLBY-SJORKVTESA-N 1 2 345.418 3.565 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Oc4ccccc4)o3)[C@H]2C1 ZINC000248419621 1028897888 /nfs/dbraw/zinc/89/78/88/1028897888.db2.gz VHTLQGHNQOANPU-NEWSRXKRSA-N 1 2 343.423 3.840 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)[C@H]2C1 ZINC000248419621 1028897900 /nfs/dbraw/zinc/89/79/00/1028897900.db2.gz VHTLQGHNQOANPU-NEWSRXKRSA-N 1 2 343.423 3.840 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Oc4ccccc4)o3)[C@H]2C1 ZINC000248419622 1028898958 /nfs/dbraw/zinc/89/89/58/1028898958.db2.gz VHTLQGHNQOANPU-NZSAHSFTSA-N 1 2 343.423 3.840 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)[C@H]2C1 ZINC000248419622 1028898973 /nfs/dbraw/zinc/89/89/73/1028898973.db2.gz VHTLQGHNQOANPU-NZSAHSFTSA-N 1 2 343.423 3.840 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000524162680 1028930224 /nfs/dbraw/zinc/93/02/24/1028930224.db2.gz LUBRTKJSRWCLBH-OAQYLSRUSA-N 1 2 347.462 3.817 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2[nH+]1 ZINC000343068888 1028938421 /nfs/dbraw/zinc/93/84/21/1028938421.db2.gz YZOUPRTVGVPPAV-BMLIUANNSA-N 1 2 341.436 3.821 20 0 EHADLO CC(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532851163 1028955933 /nfs/dbraw/zinc/95/59/33/1028955933.db2.gz FONWALAGSACDLQ-JKSUJKDBSA-N 1 2 341.858 3.522 20 0 EHADLO CC(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532851163 1028955947 /nfs/dbraw/zinc/95/59/47/1028955947.db2.gz FONWALAGSACDLQ-JKSUJKDBSA-N 1 2 341.858 3.522 20 0 EHADLO c1nc(SCc2c[nH+]cn2Cc2ccccc2)nn1-c1ccccc1 ZINC000445601869 1028963807 /nfs/dbraw/zinc/96/38/07/1028963807.db2.gz VFIXOFFBYOUTPF-UHFFFAOYSA-N 1 2 347.447 3.804 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000249384502 1029001475 /nfs/dbraw/zinc/00/14/75/1029001475.db2.gz XXXHNRZNRWPRMO-UONOGXRCSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000249384502 1029001492 /nfs/dbraw/zinc/00/14/92/1029001492.db2.gz XXXHNRZNRWPRMO-UONOGXRCSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000249476105 1029004099 /nfs/dbraw/zinc/00/40/99/1029004099.db2.gz UFCGJITYFVRWEP-DOTOQJQBSA-N 1 2 343.452 3.614 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000249476105 1029004116 /nfs/dbraw/zinc/00/41/16/1029004116.db2.gz UFCGJITYFVRWEP-DOTOQJQBSA-N 1 2 343.452 3.614 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1=S ZINC000760283479 1029049936 /nfs/dbraw/zinc/04/99/36/1029049936.db2.gz CDLZCVCDUVDMHW-GOSISDBHSA-N 1 2 330.501 3.754 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1=S ZINC000760283479 1029049944 /nfs/dbraw/zinc/04/99/44/1029049944.db2.gz CDLZCVCDUVDMHW-GOSISDBHSA-N 1 2 330.501 3.754 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3ccc(Br)cc32)n1 ZINC000393322195 1029062240 /nfs/dbraw/zinc/06/22/40/1029062240.db2.gz NLJOQJVNZDQTRZ-ZDUSSCGKSA-N 1 2 340.652 3.613 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(F)c(Br)c1 ZINC000393324243 1029062592 /nfs/dbraw/zinc/06/25/92/1029062592.db2.gz ULTAPFFSRBZRDC-QMMMGPOBSA-N 1 2 346.631 3.826 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc(C)[nH+]1 ZINC000422158247 1029116776 /nfs/dbraw/zinc/11/67/76/1029116776.db2.gz PUCKTIPDGVLGGJ-INIZCTEOSA-N 1 2 325.456 3.864 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2c3ccccc3sc2C(=O)OC)cn1 ZINC000532982330 1029138699 /nfs/dbraw/zinc/13/86/99/1029138699.db2.gz JKIUGPABPBUMOV-UHFFFAOYSA-N 1 2 343.452 3.536 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2c3ccccc3sc2C(=O)OC)cn1 ZINC000532982330 1029138706 /nfs/dbraw/zinc/13/87/06/1029138706.db2.gz JKIUGPABPBUMOV-UHFFFAOYSA-N 1 2 343.452 3.536 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000271727342 1029140379 /nfs/dbraw/zinc/14/03/79/1029140379.db2.gz XVDRSFDUPIHHGY-KBPBESRZSA-N 1 2 333.432 3.663 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000524414903 1029166118 /nfs/dbraw/zinc/16/61/18/1029166118.db2.gz FPPCOUSXWZCPLJ-AEFFLSMTSA-N 1 2 325.456 3.878 20 0 EHADLO CCCC[C@@H]([NH2+]Cc1nnc(OCC)s1)c1ccc(OC)cc1 ZINC000271791892 1029174659 /nfs/dbraw/zinc/17/46/59/1029174659.db2.gz HZDLQCBMOXQUSX-OAHLLOKOSA-N 1 2 335.473 3.967 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc2n1CCCC2 ZINC000271832165 1029191957 /nfs/dbraw/zinc/19/19/57/1029191957.db2.gz XDOSPWZAYHWMSO-MRXNPFEDSA-N 1 2 328.460 3.500 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245736215 1029204765 /nfs/dbraw/zinc/20/47/65/1029204765.db2.gz SYKGMTZRSIDHDE-OKZBNKHCSA-N 1 2 341.499 3.773 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2csc(Br)c2)nc1 ZINC000271860338 1029205706 /nfs/dbraw/zinc/20/57/06/1029205706.db2.gz YJXDCRJZJDEVTH-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2csc(Br)c2)nc1 ZINC000271860338 1029205722 /nfs/dbraw/zinc/20/57/22/1029205722.db2.gz YJXDCRJZJDEVTH-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000424644028 1029206713 /nfs/dbraw/zinc/20/67/13/1029206713.db2.gz MFXCJKBEXMZPII-HFTRVMKXSA-N 1 2 336.426 3.559 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000424653235 1029216899 /nfs/dbraw/zinc/21/68/99/1029216899.db2.gz XNMPBAVDDOIQLP-GPMSIDNRSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245740729 1029223031 /nfs/dbraw/zinc/22/30/31/1029223031.db2.gz LTULBAABHVCGDN-GPMSIDNRSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245740729 1029223038 /nfs/dbraw/zinc/22/30/38/1029223038.db2.gz LTULBAABHVCGDN-GPMSIDNRSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC(C(C)(C)C)C2)c1)[NH+]1CCOCC1 ZINC000454725293 1029241364 /nfs/dbraw/zinc/24/13/64/1029241364.db2.gz ARTQVTRCOLYKMK-HNNXBMFYSA-N 1 2 345.487 3.590 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054118 1029246454 /nfs/dbraw/zinc/24/64/54/1029246454.db2.gz YXODSELYDRCRMU-JKSUJKDBSA-N 1 2 339.483 3.706 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054118 1029246456 /nfs/dbraw/zinc/24/64/56/1029246456.db2.gz YXODSELYDRCRMU-JKSUJKDBSA-N 1 2 339.483 3.706 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000424719824 1029270340 /nfs/dbraw/zinc/27/03/40/1029270340.db2.gz JHDLZFYAHROZPF-GGPKGHCWSA-N 1 2 339.483 3.870 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000079878584 1029290365 /nfs/dbraw/zinc/29/03/65/1029290365.db2.gz YOPRXAJFPBBXPI-QGZVFWFLSA-N 1 2 345.446 3.754 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC000445988000 1029295753 /nfs/dbraw/zinc/29/57/53/1029295753.db2.gz KLUIKQSGHLEDCQ-AEGPPILISA-N 1 2 329.362 3.883 20 0 EHADLO c1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)oc1C1CC1 ZINC000272083280 1029301896 /nfs/dbraw/zinc/30/18/96/1029301896.db2.gz WTPAMGJCLUUFGT-IBGZPJMESA-N 1 2 326.396 3.564 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000446004730 1029302743 /nfs/dbraw/zinc/30/27/43/1029302743.db2.gz WFBLZUOUTLYJSD-VNQPRFMTSA-N 1 2 341.373 3.883 20 0 EHADLO CSc1ccc(C)c(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000272127325 1029321859 /nfs/dbraw/zinc/32/18/59/1029321859.db2.gz VOEQIJNUSJLYJR-UHFFFAOYSA-N 1 2 330.457 3.571 20 0 EHADLO C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000524621848 1029355439 /nfs/dbraw/zinc/35/54/39/1029355439.db2.gz QIFNOSJJLSVOTF-VQHPVUNQSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000524621848 1029355458 /nfs/dbraw/zinc/35/54/58/1029355458.db2.gz QIFNOSJJLSVOTF-VQHPVUNQSA-N 1 2 345.487 3.558 20 0 EHADLO CSc1cccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000154920933 1029362981 /nfs/dbraw/zinc/36/29/81/1029362981.db2.gz ONINKUUYYDPOTL-HNNXBMFYSA-N 1 2 342.468 3.594 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000124905147 1029365265 /nfs/dbraw/zinc/36/52/65/1029365265.db2.gz ADDPTCJLFUTANZ-SGTLLEGYSA-N 1 2 340.402 3.535 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000255423746 1029371371 /nfs/dbraw/zinc/37/13/71/1029371371.db2.gz QITUOHJZYZLCKD-PLNGDYQASA-N 1 2 331.419 3.900 20 0 EHADLO COCCC[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000272234255 1029372252 /nfs/dbraw/zinc/37/22/52/1029372252.db2.gz PRLSOMDVYTZYSP-HNNXBMFYSA-N 1 2 339.439 3.603 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000272235022 1029374304 /nfs/dbraw/zinc/37/43/04/1029374304.db2.gz UREGIJQTLDTWEN-MNRMEVMPSA-N 1 2 342.483 3.670 20 0 EHADLO Cc1ccccc1-c1noc([C@@H]([NH3+])c2ccccc2Br)n1 ZINC001212088815 1029389564 /nfs/dbraw/zinc/38/95/64/1029389564.db2.gz HHBSMJRSVGKXJJ-AWEZNQCLSA-N 1 2 344.212 3.856 20 0 EHADLO CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272337775 1029425354 /nfs/dbraw/zinc/42/53/54/1029425354.db2.gz OAELNMPPYIEDSG-GOSISDBHSA-N 1 2 348.450 3.751 20 0 EHADLO Cc1sc([C@H]2COCC[NH2+]2)nc1-c1ccccc1Br ZINC000446148126 1029434687 /nfs/dbraw/zinc/43/46/87/1029434687.db2.gz UAQYCWIDMUFJLB-GFCCVEGCSA-N 1 2 339.258 3.542 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125332675 1029492674 /nfs/dbraw/zinc/49/26/74/1029492674.db2.gz RMTLVHMRZHBWQT-HOJAQTOUSA-N 1 2 339.483 3.808 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000078900907 1029499046 /nfs/dbraw/zinc/49/90/46/1029499046.db2.gz AOCGIZUGDXYJOM-AWEZNQCLSA-N 1 2 327.428 3.968 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000078900907 1029499051 /nfs/dbraw/zinc/49/90/51/1029499051.db2.gz AOCGIZUGDXYJOM-AWEZNQCLSA-N 1 2 327.428 3.968 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C1CCCCC1 ZINC000080010199 1029507768 /nfs/dbraw/zinc/50/77/68/1029507768.db2.gz VQCQOVRFMUSIHN-GOSISDBHSA-N 1 2 344.503 3.516 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000524797631 1029517151 /nfs/dbraw/zinc/51/71/51/1029517151.db2.gz MDROSVPIFQTBLC-DOTOQJQBSA-N 1 2 344.459 3.754 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000524797632 1029517312 /nfs/dbraw/zinc/51/73/12/1029517312.db2.gz MDROSVPIFQTBLC-NVXWUHKLSA-N 1 2 344.459 3.754 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4cc(Cl)ccc4o3)n2)C1 ZINC000272660692 1029554710 /nfs/dbraw/zinc/55/47/10/1029554710.db2.gz OMUNDBOQMMPMJB-OAHLLOKOSA-N 1 2 347.802 3.918 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4cc(Cl)ccc4o3)n2)C1 ZINC000272660692 1029554713 /nfs/dbraw/zinc/55/47/13/1029554713.db2.gz OMUNDBOQMMPMJB-OAHLLOKOSA-N 1 2 347.802 3.918 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434301307 1029554970 /nfs/dbraw/zinc/55/49/70/1029554970.db2.gz PYRROQWMUSJLEG-FUHWJXTLSA-N 1 2 333.476 3.851 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000434304525 1029556657 /nfs/dbraw/zinc/55/66/57/1029556657.db2.gz GSWJHCRZAKHLER-OAQYLSRUSA-N 1 2 348.450 3.516 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(F)c(Cl)cc1F ZINC000343162651 1029560628 /nfs/dbraw/zinc/56/06/28/1029560628.db2.gz QRAPPLPHWJKKFR-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc4ccccn34)[C@H](C)CO2)c1 ZINC000533290560 1029582961 /nfs/dbraw/zinc/58/29/61/1029582961.db2.gz DHOVIXKUABOBHR-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc4ccccn34)[C@H](C)CO2)c1 ZINC000533290560 1029582971 /nfs/dbraw/zinc/58/29/71/1029582971.db2.gz DHOVIXKUABOBHR-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000125785900 1029605202 /nfs/dbraw/zinc/60/52/02/1029605202.db2.gz MTINGJMPVFPHCQ-YOEHRIQHSA-N 1 2 329.469 3.637 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(-n3ccnc3)cc2)n1-c1ccccc1 ZINC000155930048 1029699336 /nfs/dbraw/zinc/69/93/36/1029699336.db2.gz UYEGAIUUGMCJRP-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO CC1CCC(O)(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000525129077 1029699787 /nfs/dbraw/zinc/69/97/87/1029699787.db2.gz FXUBBXKOFYDOEJ-LKGZKJKYSA-N 1 2 341.854 3.794 20 0 EHADLO CC1CCC(O)(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000525129077 1029699790 /nfs/dbraw/zinc/69/97/90/1029699790.db2.gz FXUBBXKOFYDOEJ-LKGZKJKYSA-N 1 2 341.854 3.794 20 0 EHADLO COc1ccc2ccccc2c1C[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000092761662 1029733063 /nfs/dbraw/zinc/73/30/63/1029733063.db2.gz RUNPKGYIYKMSDZ-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO COc1ccc2ccccc2c1C[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000092761662 1029733071 /nfs/dbraw/zinc/73/30/71/1029733071.db2.gz RUNPKGYIYKMSDZ-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(Cc3cccc(F)c3)o2)c1 ZINC000536011612 1029775910 /nfs/dbraw/zinc/77/59/10/1029775910.db2.gz SJJHWUQAMQEUAI-UHFFFAOYSA-N 1 2 345.399 3.804 20 0 EHADLO COc1cc(C)[nH+]c(CSc2ncccc2Br)c1 ZINC000536011453 1029776635 /nfs/dbraw/zinc/77/66/35/1029776635.db2.gz XMHQGJYPIQDCPI-UHFFFAOYSA-N 1 2 325.231 3.848 20 0 EHADLO CCC1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000079987446 1029804789 /nfs/dbraw/zinc/80/47/89/1029804789.db2.gz ZFAJQBQDJVOEPI-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448926966 1029812381 /nfs/dbraw/zinc/81/23/81/1029812381.db2.gz FWGQHRJRJQNVEH-UHFFFAOYSA-N 1 2 339.430 3.760 20 0 EHADLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536022622 1029819522 /nfs/dbraw/zinc/81/95/22/1029819522.db2.gz SEWPESHEWSZCRP-JKSUJKDBSA-N 1 2 346.521 3.566 20 0 EHADLO CCC[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OCC ZINC000533788288 1029830609 /nfs/dbraw/zinc/83/06/09/1029830609.db2.gz AYLSLNNHJYDBHL-SFHVURJKSA-N 1 2 339.439 3.746 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000508727608 1029836052 /nfs/dbraw/zinc/83/60/52/1029836052.db2.gz SMWJNMQTIODRLR-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000508727608 1029836056 /nfs/dbraw/zinc/83/60/56/1029836056.db2.gz SMWJNMQTIODRLR-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO Cc1cc([C@H](C)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C ZINC000548793948 1029839553 /nfs/dbraw/zinc/83/95/53/1029839553.db2.gz KJPFCUZBNBTYJK-KXBFYZLASA-N 1 2 346.906 3.870 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@@H]1CCCOC1 ZINC000525463950 1029858665 /nfs/dbraw/zinc/85/86/65/1029858665.db2.gz FVMZDDDEUZLCGA-HNNXBMFYSA-N 1 2 342.439 3.583 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000525475219 1029861219 /nfs/dbraw/zinc/86/12/19/1029861219.db2.gz ZDQKGVNFVHIYSM-HNNXBMFYSA-N 1 2 342.748 3.999 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000475648802 1029872101 /nfs/dbraw/zinc/87/21/01/1029872101.db2.gz VPKGTLGCMMZINE-BBRMVZONSA-N 1 2 349.425 3.954 20 0 EHADLO Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c2ccc(F)c(F)c2n1 ZINC000428667471 1029876017 /nfs/dbraw/zinc/87/60/17/1029876017.db2.gz WBTBBMMOSIURNB-UHFFFAOYSA-N 1 2 342.393 3.991 20 0 EHADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000428465648 1029890826 /nfs/dbraw/zinc/89/08/26/1029890826.db2.gz SQEBVZDMTHJUGF-LBPRGKRZSA-N 1 2 325.334 3.877 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000428465648 1029890837 /nfs/dbraw/zinc/89/08/37/1029890837.db2.gz SQEBVZDMTHJUGF-LBPRGKRZSA-N 1 2 325.334 3.877 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000455779163 1029955156 /nfs/dbraw/zinc/95/51/56/1029955156.db2.gz RKCGXJMLKQLZJD-LBPRGKRZSA-N 1 2 348.834 3.873 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000583504591 1029967418 /nfs/dbraw/zinc/96/74/18/1029967418.db2.gz XGRIJYLCDRMYSX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000583504591 1029967433 /nfs/dbraw/zinc/96/74/33/1029967433.db2.gz XGRIJYLCDRMYSX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc(OC)c1 ZINC000453298884 1030049420 /nfs/dbraw/zinc/04/94/20/1030049420.db2.gz JSFKTXQGBJOQMT-CQSZACIVSA-N 1 2 325.334 3.745 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc(F)c1F ZINC000343277144 1030058695 /nfs/dbraw/zinc/05/86/95/1030058695.db2.gz VRQFOEMEDHBUMB-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000120570471 1030068166 /nfs/dbraw/zinc/06/81/66/1030068166.db2.gz NEPMRZGAULQBGI-KRWDZBQOSA-N 1 2 344.842 3.693 20 0 EHADLO CCCc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128094506 1030077019 /nfs/dbraw/zinc/07/70/19/1030077019.db2.gz ZJFXUKHSLIVAOV-YJBOKZPZSA-N 1 2 326.444 3.951 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000583542412 1030080657 /nfs/dbraw/zinc/08/06/57/1030080657.db2.gz RTSLJYQGEPZDAL-OAHLLOKOSA-N 1 2 338.238 3.633 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000156880432 1030089413 /nfs/dbraw/zinc/08/94/13/1030089413.db2.gz OMRXXTKOARNHRP-QAPCUYQASA-N 1 2 330.472 3.592 20 0 EHADLO Cc1cc2[nH]c(C[N@H+](C)CC(=O)Nc3cccc(F)c3)cc2c(C)c1 ZINC000481916152 1030116104 /nfs/dbraw/zinc/11/61/04/1030116104.db2.gz WXVAFNRRBFEAAW-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1cc2[nH]c(C[N@@H+](C)CC(=O)Nc3cccc(F)c3)cc2c(C)c1 ZINC000481916152 1030116110 /nfs/dbraw/zinc/11/61/10/1030116110.db2.gz WXVAFNRRBFEAAW-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000128249011 1030120614 /nfs/dbraw/zinc/12/06/14/1030120614.db2.gz KFYQBYAKMDHVMN-CYBMUJFWSA-N 1 2 341.842 3.780 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000128249011 1030120636 /nfs/dbraw/zinc/12/06/36/1030120636.db2.gz KFYQBYAKMDHVMN-CYBMUJFWSA-N 1 2 341.842 3.780 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2cccc(F)c2)c1C ZINC000058958962 1030143721 /nfs/dbraw/zinc/14/37/21/1030143721.db2.gz UYBUGCFJXLDIBI-CYBMUJFWSA-N 1 2 344.430 3.683 20 0 EHADLO C[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000525834020 1030159233 /nfs/dbraw/zinc/15/92/33/1030159233.db2.gz IXFYEGKHUJLLNM-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO C[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000525834020 1030159242 /nfs/dbraw/zinc/15/92/42/1030159242.db2.gz IXFYEGKHUJLLNM-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000453367908 1030184638 /nfs/dbraw/zinc/18/46/38/1030184638.db2.gz PAWJTWZJKHYVGP-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000482280842 1030305149 /nfs/dbraw/zinc/30/51/49/1030305149.db2.gz RISWLQDKVJKRPI-CYBMUJFWSA-N 1 2 329.893 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000482280842 1030305155 /nfs/dbraw/zinc/30/51/55/1030305155.db2.gz RISWLQDKVJKRPI-CYBMUJFWSA-N 1 2 329.893 3.756 20 0 EHADLO C[C@H]1COCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000091815037 1030312040 /nfs/dbraw/zinc/31/20/40/1030312040.db2.gz OSNPIQWAVUZOBD-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@H]1COCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000091815037 1030312055 /nfs/dbraw/zinc/31/20/55/1030312055.db2.gz OSNPIQWAVUZOBD-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO Cc1cc(Br)c(C[N@H+](C)CCCn2ccnc2C)s1 ZINC000453598918 1030359105 /nfs/dbraw/zinc/35/91/05/1030359105.db2.gz OUJHNVDGNDQPQK-UHFFFAOYSA-N 1 2 342.306 3.846 20 0 EHADLO Cc1cc(Br)c(C[N@@H+](C)CCCn2ccnc2C)s1 ZINC000453598918 1030359124 /nfs/dbraw/zinc/35/91/24/1030359124.db2.gz OUJHNVDGNDQPQK-UHFFFAOYSA-N 1 2 342.306 3.846 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1CCC(C)C ZINC000158414355 1030360813 /nfs/dbraw/zinc/36/08/13/1030360813.db2.gz IGZPQPIXACKNHN-UHFFFAOYSA-N 1 2 337.427 3.880 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cs1 ZINC000429721385 1030377582 /nfs/dbraw/zinc/37/75/82/1030377582.db2.gz RBPLMUVHUHHZSC-CJNGLKHVSA-N 1 2 334.485 3.700 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(Cl)c1Cl ZINC000343348269 1030434645 /nfs/dbraw/zinc/43/46/45/1030434645.db2.gz WWBMGGVAHRTVTK-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1c(Cl)cccc1Cl ZINC000532141328 1030447331 /nfs/dbraw/zinc/44/73/31/1030447331.db2.gz XRUZYWVVEILWQD-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO c1coc(C[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]2CCCO2)c1 ZINC000092436170 1030452757 /nfs/dbraw/zinc/45/27/57/1030452757.db2.gz UMUJTQZQPIVEGT-SFHVURJKSA-N 1 2 343.423 3.622 20 0 EHADLO c1coc(C[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]2CCCO2)c1 ZINC000092436170 1030452766 /nfs/dbraw/zinc/45/27/66/1030452766.db2.gz UMUJTQZQPIVEGT-SFHVURJKSA-N 1 2 343.423 3.622 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cnc3cnccn23)s1 ZINC000092536767 1030475342 /nfs/dbraw/zinc/47/53/42/1030475342.db2.gz RENPPCKENVSHEL-UHFFFAOYSA-N 1 2 338.436 3.895 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cnc3cnccn23)s1 ZINC000092536767 1030475347 /nfs/dbraw/zinc/47/53/47/1030475347.db2.gz RENPPCKENVSHEL-UHFFFAOYSA-N 1 2 338.436 3.895 20 0 EHADLO CCc1cc(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)on1 ZINC000532232168 1030486098 /nfs/dbraw/zinc/48/60/98/1030486098.db2.gz HVTJPSPVYXQCGK-HNNXBMFYSA-N 1 2 328.334 3.733 20 0 EHADLO Cc1ccc2[nH]c(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2c1C ZINC000343357828 1030489942 /nfs/dbraw/zinc/48/99/42/1030489942.db2.gz FSUVQMSXCVEFAT-UHFFFAOYSA-N 1 2 345.406 3.677 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCc3c(Br)cccc3C2)c1C ZINC000092756044 1030508199 /nfs/dbraw/zinc/50/81/99/1030508199.db2.gz IHMVXKDNXMOTFJ-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCc3c(Br)cccc3C2)c1C ZINC000092756044 1030508206 /nfs/dbraw/zinc/50/82/06/1030508206.db2.gz IHMVXKDNXMOTFJ-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668067397 1030510410 /nfs/dbraw/zinc/51/04/10/1030510410.db2.gz LOWGVNJNAOWZCS-UHFFFAOYSA-N 1 2 349.276 3.706 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668067397 1030510418 /nfs/dbraw/zinc/51/04/18/1030510418.db2.gz LOWGVNJNAOWZCS-UHFFFAOYSA-N 1 2 349.276 3.706 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000031202453 1030510681 /nfs/dbraw/zinc/51/06/81/1030510681.db2.gz IQDKPKBFDSQGEF-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000031202453 1030510693 /nfs/dbraw/zinc/51/06/93/1030510693.db2.gz IQDKPKBFDSQGEF-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO Cc1ccc(CNc2[nH+]c3ccccc3cc2C)c(N2CCOCC2)c1 ZINC000532276315 1030519989 /nfs/dbraw/zinc/51/99/89/1030519989.db2.gz VWRLFVBOXSDJMR-UHFFFAOYSA-N 1 2 347.462 3.722 20 0 EHADLO Oc1ccc(C[N@H+](Cc2ccco2)Cc2cccc3c2OCO3)cc1 ZINC000093015447 1030549590 /nfs/dbraw/zinc/54/95/90/1030549590.db2.gz XKAHABWQHPYBEE-UHFFFAOYSA-N 1 2 337.375 3.916 20 0 EHADLO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cccc3c2OCO3)cc1 ZINC000093015447 1030549602 /nfs/dbraw/zinc/54/96/02/1030549602.db2.gz XKAHABWQHPYBEE-UHFFFAOYSA-N 1 2 337.375 3.916 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000093080891 1030552023 /nfs/dbraw/zinc/55/20/23/1030552023.db2.gz LNCFFKDNWHTMRU-QGZVFWFLSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000093080891 1030552032 /nfs/dbraw/zinc/55/20/32/1030552032.db2.gz LNCFFKDNWHTMRU-QGZVFWFLSA-N 1 2 327.815 3.790 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3ncsc3c1)C2 ZINC000526994280 1030557144 /nfs/dbraw/zinc/55/71/44/1030557144.db2.gz PKVSOYJRGHWZDP-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3ncsc3c1)CC2 ZINC000526994280 1030557152 /nfs/dbraw/zinc/55/71/52/1030557152.db2.gz PKVSOYJRGHWZDP-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842451 1030568767 /nfs/dbraw/zinc/56/87/67/1030568767.db2.gz KDUZLCJNCBDQAX-GUYCJALGSA-N 1 2 341.455 3.598 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842451 1030568776 /nfs/dbraw/zinc/56/87/76/1030568776.db2.gz KDUZLCJNCBDQAX-GUYCJALGSA-N 1 2 341.455 3.598 20 0 EHADLO CCCn1nccc1C[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000668082147 1030569543 /nfs/dbraw/zinc/56/95/43/1030569543.db2.gz JCLQBRQCBWKIHE-UHFFFAOYSA-N 1 2 330.432 3.846 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000066437977 1030573857 /nfs/dbraw/zinc/57/38/57/1030573857.db2.gz CCKIFYREAYMHQI-OAHLLOKOSA-N 1 2 330.394 3.774 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000066437977 1030573850 /nfs/dbraw/zinc/57/38/50/1030573850.db2.gz CCKIFYREAYMHQI-OAHLLOKOSA-N 1 2 330.394 3.774 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236188 1030576069 /nfs/dbraw/zinc/57/60/69/1030576069.db2.gz YGJIPEFWOJMLIG-PXNSSMCTSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236188 1030576084 /nfs/dbraw/zinc/57/60/84/1030576084.db2.gz YGJIPEFWOJMLIG-PXNSSMCTSA-N 1 2 339.483 3.978 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc(OC)c1 ZINC000093336035 1030587195 /nfs/dbraw/zinc/58/71/95/1030587195.db2.gz MAAUKKVGHSSMSJ-UHFFFAOYSA-N 1 2 332.469 3.671 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc(OC)c1 ZINC000093336035 1030587205 /nfs/dbraw/zinc/58/72/05/1030587205.db2.gz MAAUKKVGHSSMSJ-UHFFFAOYSA-N 1 2 332.469 3.671 20 0 EHADLO C[N@H+](C/C=C\c1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000527049060 1030603924 /nfs/dbraw/zinc/60/39/24/1030603924.db2.gz FELGREKEKJXHJP-ARJAWSKDSA-N 1 2 349.883 3.889 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000527049060 1030603936 /nfs/dbraw/zinc/60/39/36/1030603936.db2.gz FELGREKEKJXHJP-ARJAWSKDSA-N 1 2 349.883 3.889 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093413583 1030608841 /nfs/dbraw/zinc/60/88/41/1030608841.db2.gz CRRZYYJXXSECCZ-HNNXBMFYSA-N 1 2 342.512 3.684 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093413583 1030608852 /nfs/dbraw/zinc/60/88/52/1030608852.db2.gz CRRZYYJXXSECCZ-HNNXBMFYSA-N 1 2 342.512 3.684 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC(=O)CC1 ZINC000072962621 1030657266 /nfs/dbraw/zinc/65/72/66/1030657266.db2.gz OCDUCYUBTLDLAC-UHFFFAOYSA-N 1 2 337.423 3.584 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000666025506 1030662081 /nfs/dbraw/zinc/66/20/81/1030662081.db2.gz XFVWEAUYLQVNOU-BZUAXINKSA-N 1 2 329.831 3.541 20 0 EHADLO COCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C)o1 ZINC000093707319 1030664069 /nfs/dbraw/zinc/66/40/69/1030664069.db2.gz ZIJFQJCKMDLQCH-UHFFFAOYSA-N 1 2 325.412 3.627 20 0 EHADLO COCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C)o1 ZINC000093707319 1030664078 /nfs/dbraw/zinc/66/40/78/1030664078.db2.gz ZIJFQJCKMDLQCH-UHFFFAOYSA-N 1 2 325.412 3.627 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CCSC[C@H]2C)c(C)n1Cc1ccco1 ZINC000448013493 1030667150 /nfs/dbraw/zinc/66/71/50/1030667150.db2.gz XBCGWLANYXAPOI-ZBFHGGJFSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@H+]2CCSC[C@H]2C)c(C)n1Cc1ccco1 ZINC000448013493 1030667157 /nfs/dbraw/zinc/66/71/57/1030667157.db2.gz XBCGWLANYXAPOI-ZBFHGGJFSA-N 1 2 346.496 3.755 20 0 EHADLO Cn1nccc1[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000448033655 1030673571 /nfs/dbraw/zinc/67/35/71/1030673571.db2.gz YUBXGESPCUANDQ-DLBZAZTESA-N 1 2 339.487 3.944 20 0 EHADLO CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)cc1 ZINC000635202756 1030689432 /nfs/dbraw/zinc/68/94/32/1030689432.db2.gz LJFJZYVAJUUUNK-ZDUSSCGKSA-N 1 2 329.297 3.569 20 0 EHADLO COc1ccc2oc(C[NH+]3CCN([C@H](C)C(F)(F)F)CC3)cc2c1 ZINC000093883864 1030689648 /nfs/dbraw/zinc/68/96/48/1030689648.db2.gz ZIQORRZJQLYVKJ-GFCCVEGCSA-N 1 2 342.361 3.510 20 0 EHADLO O=C(NCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000170692400 1030697885 /nfs/dbraw/zinc/69/78/85/1030697885.db2.gz VCNVWURQWMWNHF-VQTJNVASSA-N 1 2 346.434 3.611 20 0 EHADLO O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171009349 1030711250 /nfs/dbraw/zinc/71/12/50/1030711250.db2.gz BLQPNYWIGBENOE-UXHICEINSA-N 1 2 347.418 3.522 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc([C@H]3C[C@H]3C)o1)C2 ZINC000527235303 1030726336 /nfs/dbraw/zinc/72/63/36/1030726336.db2.gz DUNYHGKYSXETQW-NFAWXSAZSA-N 1 2 341.455 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc([C@H]3C[C@H]3C)o1)CC2 ZINC000527235303 1030726349 /nfs/dbraw/zinc/72/63/49/1030726349.db2.gz DUNYHGKYSXETQW-NFAWXSAZSA-N 1 2 341.455 3.671 20 0 EHADLO CCOc1cc(CN2CCn3c(C)c(C)[nH+]c3C2)cc(Cl)c1OC ZINC000360073849 1030730388 /nfs/dbraw/zinc/73/03/88/1030730388.db2.gz HDQWUOOYHIRZRV-UHFFFAOYSA-N 1 2 349.862 3.576 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)c1nccn1C ZINC000657794835 1030768977 /nfs/dbraw/zinc/76/89/77/1030768977.db2.gz XKGIGXVAGAFYEC-GJZGRUSLSA-N 1 2 332.467 3.892 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000527325032 1030796987 /nfs/dbraw/zinc/79/69/87/1030796987.db2.gz CIJZSFPFDGJEFT-KUHUBIRLSA-N 1 2 334.423 3.857 20 0 EHADLO C[N@H+](Cc1ccc(Br)o1)Cc1ccnn1-c1ccccc1 ZINC000448215594 1030802374 /nfs/dbraw/zinc/80/23/74/1030802374.db2.gz YRULQSBFGZCECX-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccnn1-c1ccccc1 ZINC000448215594 1030802391 /nfs/dbraw/zinc/80/23/91/1030802391.db2.gz YRULQSBFGZCECX-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccs1 ZINC000115037833 1030807954 /nfs/dbraw/zinc/80/79/54/1030807954.db2.gz BRDYARVRPOTHHC-UHFFFAOYSA-N 1 2 329.400 3.989 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000172169617 1030843125 /nfs/dbraw/zinc/84/31/25/1030843125.db2.gz GLBDPFAXRFPMRW-CYBMUJFWSA-N 1 2 347.484 3.618 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000172169617 1030843144 /nfs/dbraw/zinc/84/31/44/1030843144.db2.gz GLBDPFAXRFPMRW-CYBMUJFWSA-N 1 2 347.484 3.618 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000668182859 1030884056 /nfs/dbraw/zinc/88/40/56/1030884056.db2.gz PZRHFMNJAWRFES-HZPDHXFCSA-N 1 2 344.430 3.503 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000115611214 1030892916 /nfs/dbraw/zinc/89/29/16/1030892916.db2.gz RTOQFKFTYLIUFR-GOSISDBHSA-N 1 2 342.345 3.541 20 0 EHADLO Cn1nnc2cc(C[N@@H+]3CCc4cc(Cl)cc(Cl)c4C3)ccc21 ZINC000537661353 1030917880 /nfs/dbraw/zinc/91/78/80/1030917880.db2.gz OFPIOGAOJCAMJR-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO Cn1nnc2cc(C[N@H+]3CCc4cc(Cl)cc(Cl)c4C3)ccc21 ZINC000537661353 1030917898 /nfs/dbraw/zinc/91/78/98/1030917898.db2.gz OFPIOGAOJCAMJR-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO O=C(C[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1)NC1CC1 ZINC000626112658 1030917655 /nfs/dbraw/zinc/91/76/55/1030917655.db2.gz IUOUTEHWAGVLJG-UHFFFAOYSA-N 1 2 339.464 3.510 20 0 EHADLO O=C(C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1)NC1CC1 ZINC000626112658 1030917669 /nfs/dbraw/zinc/91/76/69/1030917669.db2.gz IUOUTEHWAGVLJG-UHFFFAOYSA-N 1 2 339.464 3.510 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCOC(C)(C)C ZINC001168147723 1030925404 /nfs/dbraw/zinc/92/54/04/1030925404.db2.gz WZGRWBDCCPXONM-ZDUSSCGKSA-N 1 2 335.423 3.607 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCOC(C)(C)C ZINC001168147723 1030925421 /nfs/dbraw/zinc/92/54/21/1030925421.db2.gz WZGRWBDCCPXONM-ZDUSSCGKSA-N 1 2 335.423 3.607 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506151 1030936973 /nfs/dbraw/zinc/93/69/73/1030936973.db2.gz ANBSOQGQDKKJHG-UAGQMJEPSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506151 1030936986 /nfs/dbraw/zinc/93/69/86/1030936986.db2.gz ANBSOQGQDKKJHG-UAGQMJEPSA-N 1 2 348.512 3.964 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000536147156 1030960725 /nfs/dbraw/zinc/96/07/25/1030960725.db2.gz WYRJKVVMTWFKDU-UHFFFAOYSA-N 1 2 337.379 3.542 20 0 EHADLO CC(C)[C@]1(Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527536157 1030963504 /nfs/dbraw/zinc/96/35/04/1030963504.db2.gz PABDSJVGDOIMBZ-OAQYLSRUSA-N 1 2 339.483 3.923 20 0 EHADLO Cc1csc(NC(=O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000483109295 1030970367 /nfs/dbraw/zinc/97/03/67/1030970367.db2.gz LPNKHOHSTDVSGL-UHFFFAOYSA-N 1 2 349.887 3.923 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cccc(CNc3cccc[nH+]3)c21 ZINC000131159894 1030971587 /nfs/dbraw/zinc/97/15/87/1030971587.db2.gz KKNOOVOTIQJKGA-UHFFFAOYSA-N 1 2 325.412 3.991 20 0 EHADLO Cc1nc2cc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2o1 ZINC000098033543 1030996422 /nfs/dbraw/zinc/99/64/22/1030996422.db2.gz BABMRXXVVWXWTB-UHFFFAOYSA-N 1 2 347.378 3.644 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000172803459 1031001182 /nfs/dbraw/zinc/00/11/82/1031001182.db2.gz ADQHZCGZWRXWGC-CQSZACIVSA-N 1 2 325.437 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000172885845 1031028052 /nfs/dbraw/zinc/02/80/52/1031028052.db2.gz BVDGTECEFFJEIO-CYBMUJFWSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccco1 ZINC000527648475 1031078212 /nfs/dbraw/zinc/07/82/12/1031078212.db2.gz GVOGINWFNVCKTR-ZETNRXDVSA-N 1 2 338.451 3.631 20 0 EHADLO CCC[C@]1([NH2+]Cc2noc(-c3c(F)cccc3Cl)n2)CCOC1 ZINC000645910504 1031081222 /nfs/dbraw/zinc/08/12/22/1031081222.db2.gz PJSRZTZNGUATLA-INIZCTEOSA-N 1 2 339.798 3.578 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1=CCCCC1 ZINC000483303450 1031099003 /nfs/dbraw/zinc/09/90/03/1031099003.db2.gz GCHJAJOCQZYVEX-OAHLLOKOSA-N 1 2 330.476 3.825 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000455886424 1031146597 /nfs/dbraw/zinc/14/65/97/1031146597.db2.gz PVWADKNLSFDCKW-ANMDKAQQSA-N 1 2 349.478 3.930 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000483412332 1031152038 /nfs/dbraw/zinc/15/20/38/1031152038.db2.gz SJWNXKWZUMTQRM-AWEZNQCLSA-N 1 2 346.272 3.727 20 0 EHADLO C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCc2ccccc21 ZINC000650773969 1031165273 /nfs/dbraw/zinc/16/52/73/1031165273.db2.gz KJSOGYCNRRPSCQ-KRWDZBQOSA-N 1 2 345.446 3.733 20 0 EHADLO Cc1nnc([C@H]2C[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097224 1031165573 /nfs/dbraw/zinc/16/55/73/1031165573.db2.gz PSRKXXDKIRQMJQ-SUMWQHHRSA-N 1 2 328.460 3.545 20 0 EHADLO Cc1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097224 1031165585 /nfs/dbraw/zinc/16/55/85/1031165585.db2.gz PSRKXXDKIRQMJQ-SUMWQHHRSA-N 1 2 328.460 3.545 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H](CC)C(=O)OCC ZINC000483437574 1031168239 /nfs/dbraw/zinc/16/82/39/1031168239.db2.gz XBQUEBCBKOIRGP-MRXNPFEDSA-N 1 2 347.484 3.759 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H](CC)C(=O)OCC ZINC000483437574 1031168244 /nfs/dbraw/zinc/16/82/44/1031168244.db2.gz XBQUEBCBKOIRGP-MRXNPFEDSA-N 1 2 347.484 3.759 20 0 EHADLO COc1cccc(C2(NC(=O)Nc3ccn4cc[nH+]c4c3)CCC2)c1 ZINC000666974391 1031184146 /nfs/dbraw/zinc/18/41/46/1031184146.db2.gz PDOVIGZLEFHEEN-UHFFFAOYSA-N 1 2 336.395 3.544 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1cc(OC)cc(C)[nH+]1 ZINC000477038623 1031196616 /nfs/dbraw/zinc/19/66/16/1031196616.db2.gz CHMOAEYOHVTYGK-GOSISDBHSA-N 1 2 345.464 3.725 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2ccc3ccccc3n2)no1)c1ccccc1 ZINC000685238854 1031213525 /nfs/dbraw/zinc/21/35/25/1031213525.db2.gz XSULEBSQJFXCAZ-FQEVSTJZSA-N 1 2 344.418 3.860 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H](C)C1CCCCC1 ZINC000175396406 1031300792 /nfs/dbraw/zinc/30/07/92/1031300792.db2.gz SMOWXUUPNRIFSK-HZPDHXFCSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3CCC(C4CC4)CC3)[nH+]c12 ZINC000611797019 1031314079 /nfs/dbraw/zinc/31/40/79/1031314079.db2.gz YQDLSDNHLJAWAI-UHFFFAOYSA-N 1 2 325.456 3.518 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000343549487 1031340646 /nfs/dbraw/zinc/34/06/46/1031340646.db2.gz FVQBKJSNXWMYRO-CABCVRRESA-N 1 2 332.473 3.781 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448630484 1031352154 /nfs/dbraw/zinc/35/21/54/1031352154.db2.gz OSPZHJLZXWQGMS-CYBMUJFWSA-N 1 2 339.361 3.526 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000527878430 1031407744 /nfs/dbraw/zinc/40/77/44/1031407744.db2.gz BLMNNAXYZCJABM-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000527926436 1031420364 /nfs/dbraw/zinc/42/03/64/1031420364.db2.gz ZWWHPCJVMSOPDY-JTQLQIEISA-N 1 2 349.232 3.658 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cc2ccccc2o1 ZINC000278571870 1031442867 /nfs/dbraw/zinc/44/28/67/1031442867.db2.gz JJBNNEXOJWJSAL-LLVKDONJSA-N 1 2 330.819 3.793 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000083197582 1031479426 /nfs/dbraw/zinc/47/94/26/1031479426.db2.gz UYTGFXNXTUYHGE-DLBZAZTESA-N 1 2 348.450 3.864 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000448704824 1031486925 /nfs/dbraw/zinc/48/69/25/1031486925.db2.gz PIKRYXPRDBMWRN-UXHICEINSA-N 1 2 349.478 3.751 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177731785 1031561843 /nfs/dbraw/zinc/56/18/43/1031561843.db2.gz ZVKJRAJOZYQPGL-GNISGLHKSA-N 1 2 331.419 3.741 20 0 EHADLO Fc1ccc(F)c(C[N@H+](Cc2cn3cccnc3n2)C2CCCC2)c1 ZINC000177561390 1031576139 /nfs/dbraw/zinc/57/61/39/1031576139.db2.gz OXPMMXRKJLNFEQ-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Fc1ccc(F)c(C[N@@H+](Cc2cn3cccnc3n2)C2CCCC2)c1 ZINC000177561390 1031576155 /nfs/dbraw/zinc/57/61/55/1031576155.db2.gz OXPMMXRKJLNFEQ-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C(=O)NCCn2cc[nH+]c2)cc1F ZINC000117124304 1031581653 /nfs/dbraw/zinc/58/16/53/1031581653.db2.gz LDXVNKXVWQLOLK-UHFFFAOYSA-N 1 2 341.361 3.567 20 0 EHADLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1F ZINC000177628763 1031581761 /nfs/dbraw/zinc/58/17/61/1031581761.db2.gz SHUMUQSPZZBLTI-INIZCTEOSA-N 1 2 344.365 3.563 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc2ccccc2n1 ZINC000177950350 1031600122 /nfs/dbraw/zinc/60/01/22/1031600122.db2.gz XOFDBNYIHUHOFS-OAHLLOKOSA-N 1 2 329.407 3.666 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccs1 ZINC000177980199 1031601648 /nfs/dbraw/zinc/60/16/48/1031601648.db2.gz KYNNVBILLDTONL-LSDHHAIUSA-N 1 2 346.500 3.597 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[C@@H](C)n3cc[nH+]c3)n2)cc1 ZINC000551752293 1031619766 /nfs/dbraw/zinc/61/97/66/1031619766.db2.gz CYAGRGSZJYYUNQ-CYBMUJFWSA-N 1 2 326.425 3.905 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347460129 1031636225 /nfs/dbraw/zinc/63/62/25/1031636225.db2.gz FCUBAEFHMZHIOP-TVFCKZIOSA-N 1 2 347.503 3.500 20 0 EHADLO c1ccc(C2CCC2)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000904029062 1031636342 /nfs/dbraw/zinc/63/63/42/1031636342.db2.gz LOMOHVJYDNJJAR-CRAIPNDOSA-N 1 2 339.439 3.930 20 0 EHADLO c1ccc(C2CCC2)c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000904029062 1031636361 /nfs/dbraw/zinc/63/63/61/1031636361.db2.gz LOMOHVJYDNJJAR-CRAIPNDOSA-N 1 2 339.439 3.930 20 0 EHADLO CC1CCC(N(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)CC1 ZINC000178191646 1031641337 /nfs/dbraw/zinc/64/13/37/1031641337.db2.gz WACOHIZYTAFMBM-UHFFFAOYSA-N 1 2 326.444 3.587 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)C(C)(F)F)n2)C1 ZINC000448770372 1031659782 /nfs/dbraw/zinc/65/97/82/1031659782.db2.gz LMGBEIISCGAESN-LLVKDONJSA-N 1 2 345.459 3.995 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)C(C)(F)F)n2)C1 ZINC000448770372 1031659787 /nfs/dbraw/zinc/65/97/87/1031659787.db2.gz LMGBEIISCGAESN-LLVKDONJSA-N 1 2 345.459 3.995 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178349266 1031686740 /nfs/dbraw/zinc/68/67/40/1031686740.db2.gz UZAQEPCZHKKKIU-ZDUSSCGKSA-N 1 2 343.427 3.518 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000528092697 1031692060 /nfs/dbraw/zinc/69/20/60/1031692060.db2.gz NOHKFEOZYOQNFX-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000528092697 1031692070 /nfs/dbraw/zinc/69/20/70/1031692070.db2.gz NOHKFEOZYOQNFX-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178384607 1031692754 /nfs/dbraw/zinc/69/27/54/1031692754.db2.gz UPTNWMOHCAAZDQ-UHFFFAOYSA-N 1 2 339.782 3.972 20 0 EHADLO [NH3+][C@@H](c1nc(CCC(F)(F)F)no1)c1ccccc1C(F)(F)F ZINC000904084514 1031716998 /nfs/dbraw/zinc/71/69/98/1031716998.db2.gz BZVHQZNMXPFKQH-SNVBAGLBSA-N 1 2 339.239 3.631 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000448821336 1031723849 /nfs/dbraw/zinc/72/38/49/1031723849.db2.gz FTVTUEFZIXSXMS-LBPRGKRZSA-N 1 2 332.366 3.644 20 0 EHADLO c1nnc([C@@H]([NH2+]Cc2cccc3c2CCCN3)C2CCCCC2)[nH]1 ZINC000584107423 1031744136 /nfs/dbraw/zinc/74/41/36/1031744136.db2.gz YSZIMQHKWFYVGF-SFHVURJKSA-N 1 2 325.460 3.574 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000551913904 1031756893 /nfs/dbraw/zinc/75/68/93/1031756893.db2.gz JTWPZQSMVVQJTA-NSHDSACASA-N 1 2 326.227 3.800 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H]1C1CC1 ZINC000528136460 1031761635 /nfs/dbraw/zinc/76/16/35/1031761635.db2.gz BIQXZUMUVFELMM-CZPYZCIJSA-N 1 2 333.501 3.606 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H]1C1CC1 ZINC000528136460 1031761642 /nfs/dbraw/zinc/76/16/42/1031761642.db2.gz BIQXZUMUVFELMM-CZPYZCIJSA-N 1 2 333.501 3.606 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000685268727 1031769959 /nfs/dbraw/zinc/76/99/59/1031769959.db2.gz BLONKPDHQLIMCS-FQEVSTJZSA-N 1 2 349.434 3.636 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000685268727 1031769975 /nfs/dbraw/zinc/76/99/75/1031769975.db2.gz BLONKPDHQLIMCS-FQEVSTJZSA-N 1 2 349.434 3.636 20 0 EHADLO CCCNC(=O)C1([NH2+]Cc2ncc(-c3cccs3)o2)CCCCC1 ZINC000085863895 1031771659 /nfs/dbraw/zinc/77/16/59/1031771659.db2.gz LENKMPSFPVXACE-UHFFFAOYSA-N 1 2 347.484 3.722 20 0 EHADLO CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000117647619 1031786981 /nfs/dbraw/zinc/78/69/81/1031786981.db2.gz JZLUFJWOVYTEIL-INIZCTEOSA-N 1 2 345.406 3.630 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000117647621 1031787367 /nfs/dbraw/zinc/78/73/67/1031787367.db2.gz JZLUFJWOVYTEIL-MRXNPFEDSA-N 1 2 345.406 3.630 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000477728600 1031800327 /nfs/dbraw/zinc/80/03/27/1031800327.db2.gz CGOPNKQVRLDZLO-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(F)c(C)c3)C2)nc(C2CC2)[nH+]1 ZINC000343655103 1031810489 /nfs/dbraw/zinc/81/04/89/1031810489.db2.gz NBNUBIOCSBKYHK-QGZVFWFLSA-N 1 2 327.403 3.688 20 0 EHADLO O=C(NCCCn1ccc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000117744592 1031844954 /nfs/dbraw/zinc/84/49/54/1031844954.db2.gz ZHFLWDWWPOFVMQ-UHFFFAOYSA-N 1 2 344.418 3.647 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000117787716 1031854718 /nfs/dbraw/zinc/85/47/18/1031854718.db2.gz DGFPPBIUPKKYPP-MRXNPFEDSA-N 1 2 338.436 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ncc(Cl)s1)C2 ZINC000343669163 1031862012 /nfs/dbraw/zinc/86/20/12/1031862012.db2.gz CFZGOZGQZZDOAH-BDJLRTHQSA-N 1 2 342.892 3.740 20 0 EHADLO CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ncc(Cl)s1)C2 ZINC000343669163 1031862022 /nfs/dbraw/zinc/86/20/22/1031862022.db2.gz CFZGOZGQZZDOAH-BDJLRTHQSA-N 1 2 342.892 3.740 20 0 EHADLO CCc1cc(N2CCOC[C@H]2c2nc3ccccc3s2)nc(C)[nH+]1 ZINC000548821701 1031866406 /nfs/dbraw/zinc/86/64/06/1031866406.db2.gz WZUMVLWKKQTIHE-HNNXBMFYSA-N 1 2 340.452 3.535 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccncn3)no2)cc1 ZINC000528187938 1031866285 /nfs/dbraw/zinc/86/62/85/1031866285.db2.gz RXGDJSZTRZWYJL-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccncn3)no2)cc1 ZINC000528187938 1031866304 /nfs/dbraw/zinc/86/63/04/1031866304.db2.gz RXGDJSZTRZWYJL-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180281264 1031872803 /nfs/dbraw/zinc/87/28/03/1031872803.db2.gz GXPLBRBGASGBFP-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180281264 1031872820 /nfs/dbraw/zinc/87/28/20/1031872820.db2.gz GXPLBRBGASGBFP-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO CCc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1OC ZINC000455908453 1031899916 /nfs/dbraw/zinc/89/99/16/1031899916.db2.gz PDSWKGXPLPOOEA-UHFFFAOYSA-N 1 2 342.443 3.666 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)Oc2ccc3c(c2)CCC3)n1 ZINC000904257966 1031904540 /nfs/dbraw/zinc/90/45/40/1031904540.db2.gz HBWAPMIVZYQKFG-GFCCVEGCSA-N 1 2 336.395 3.651 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Br)cc1OC)c1ccco1 ZINC000180953433 1031927663 /nfs/dbraw/zinc/92/76/63/1031927663.db2.gz ZJWMMCNDRGRNIZ-ZDUSSCGKSA-N 1 2 340.217 3.528 20 0 EHADLO CCOCc1cc(CNc2[nH+]c3ccccc3n2CC)ccc1OC ZINC000460664901 1031944040 /nfs/dbraw/zinc/94/40/40/1031944040.db2.gz VGEZRTIKROOULU-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C)c(OC)c1 ZINC000195010474 1031955654 /nfs/dbraw/zinc/95/56/54/1031955654.db2.gz IQEBOURAYLLWIQ-UHFFFAOYSA-N 1 2 325.412 3.612 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347478117 1031977949 /nfs/dbraw/zinc/97/79/49/1031977949.db2.gz FBCFEAZHSUAZCT-WMZOPIPTSA-N 1 2 325.456 3.710 20 0 EHADLO Fc1cnccc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000449011143 1032053525 /nfs/dbraw/zinc/05/35/25/1032053525.db2.gz YFJSFVXJOOSHKZ-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Fc1cnccc1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000449011143 1032053547 /nfs/dbraw/zinc/05/35/47/1032053547.db2.gz YFJSFVXJOOSHKZ-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Cc1cc(NC(=O)N2CCc3cccc(C(F)(F)F)c3C2)c(C)c[nH+]1 ZINC000529038373 1033303060 /nfs/dbraw/zinc/30/30/60/1033303060.db2.gz BWHSFJQIFJEBAQ-UHFFFAOYSA-N 1 2 349.356 3.729 20 0 EHADLO CCCC[C@@H](COC)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104288 1033352194 /nfs/dbraw/zinc/35/21/94/1033352194.db2.gz CYWRIVLQJJBENB-WMLDXEAASA-N 1 2 337.414 3.583 20 0 EHADLO Cc1cc(C(N)=[NH+]OCc2cc(-c3ccccc3)on2)ccc1F ZINC000063457714 1033357315 /nfs/dbraw/zinc/35/73/15/1033357315.db2.gz IFYRUBRMHJUYMV-UHFFFAOYSA-N 1 2 325.343 3.626 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000050448027 1033374368 /nfs/dbraw/zinc/37/43/68/1033374368.db2.gz CRWBPYAPMSSPST-STQMWFEESA-N 1 2 344.377 3.692 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000173615485 1033436335 /nfs/dbraw/zinc/43/63/35/1033436335.db2.gz CKPGDFAICTUQFJ-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000173615485 1033436347 /nfs/dbraw/zinc/43/63/47/1033436347.db2.gz CKPGDFAICTUQFJ-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO OCCCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000173629033 1033440042 /nfs/dbraw/zinc/44/00/42/1033440042.db2.gz WMFWDPBXHTYFOB-QGZVFWFLSA-N 1 2 329.843 3.795 20 0 EHADLO OCCCCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000173629033 1033440050 /nfs/dbraw/zinc/44/00/50/1033440050.db2.gz WMFWDPBXHTYFOB-QGZVFWFLSA-N 1 2 329.843 3.795 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ncsc2C2CC2)n1 ZINC000898312613 1033448858 /nfs/dbraw/zinc/44/88/58/1033448858.db2.gz JYMYIEDGAFMRIW-UHFFFAOYSA-N 1 2 336.486 3.571 20 0 EHADLO C(=C\c1ccccc1)\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000598806870 1033476265 /nfs/dbraw/zinc/47/62/65/1033476265.db2.gz HCESIXFXIAIGEG-KTKRTIGZSA-N 1 2 347.418 3.739 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)Nc2cccc3[nH+]ccn32)ccc1Cl ZINC000460333760 1033502057 /nfs/dbraw/zinc/50/20/57/1033502057.db2.gz IKLSPEBZTXQRAA-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO Cc1cc(NCC2CCS(=O)(=O)CC2)[nH+]c2c1cccc2C(C)C ZINC001168292630 1033540337 /nfs/dbraw/zinc/54/03/37/1033540337.db2.gz PDCGVJKCRVWXGA-UHFFFAOYSA-N 1 2 346.496 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)Cc2ccsc2)c1C ZINC000057617555 1033573610 /nfs/dbraw/zinc/57/36/10/1033573610.db2.gz GXZDOSVKODUHMR-CYBMUJFWSA-N 1 2 347.484 3.541 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3CC[C@H]4C[C@H]43)cs2)c1 ZINC000761085313 1033593665 /nfs/dbraw/zinc/59/36/65/1033593665.db2.gz BSQNJBCJBWREPS-WMLDXEAASA-N 1 2 341.480 3.535 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CC[C@H]4C[C@H]43)cs2)c1 ZINC000761085313 1033593675 /nfs/dbraw/zinc/59/36/75/1033593675.db2.gz BSQNJBCJBWREPS-WMLDXEAASA-N 1 2 341.480 3.535 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc3ccc(C)cc3[nH]2)s1 ZINC000594952171 1033596555 /nfs/dbraw/zinc/59/65/55/1033596555.db2.gz XJHSFGRBFUICSX-NSHDSACASA-N 1 2 329.425 3.570 20 0 EHADLO CN(C)c1cccnc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000685628116 1033637204 /nfs/dbraw/zinc/63/72/04/1033637204.db2.gz PAIQJKFKCLKRLK-UHFFFAOYSA-N 1 2 341.789 3.692 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)s1 ZINC000685632014 1033644113 /nfs/dbraw/zinc/64/41/13/1033644113.db2.gz VQKYIBBZRNBEFX-LBPRGKRZSA-N 1 2 335.473 3.576 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529238086 1033665056 /nfs/dbraw/zinc/66/50/56/1033665056.db2.gz CNWMFSMQHSVGSI-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO Cc1ccc(C(C)(C)CN(C)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000608410513 1033697912 /nfs/dbraw/zinc/69/79/12/1033697912.db2.gz FENYLOYCZWBRPT-UHFFFAOYSA-N 1 2 342.487 3.591 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410432 1033701260 /nfs/dbraw/zinc/70/12/60/1033701260.db2.gz BDNMGDBLMGUJSR-QAPCUYQASA-N 1 2 344.434 3.595 20 0 EHADLO CCC(CC)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000608476444 1033705548 /nfs/dbraw/zinc/70/55/48/1033705548.db2.gz WYLFBTDNJXCPSL-UHFFFAOYSA-N 1 2 336.479 3.876 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329840 1033729742 /nfs/dbraw/zinc/72/97/42/1033729742.db2.gz CSHZSYQFVVHTMA-DTWKUNHWSA-N 1 2 325.425 3.663 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329840 1033729762 /nfs/dbraw/zinc/72/97/62/1033729762.db2.gz CSHZSYQFVVHTMA-DTWKUNHWSA-N 1 2 325.425 3.663 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](OC)C2CCCC2)n1 ZINC000595349886 1033736047 /nfs/dbraw/zinc/73/60/47/1033736047.db2.gz FGUMSWPWKNUPBO-GXTWGEPZSA-N 1 2 327.494 3.521 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)C2CCCC2)n1 ZINC000595349886 1033736057 /nfs/dbraw/zinc/73/60/57/1033736057.db2.gz FGUMSWPWKNUPBO-GXTWGEPZSA-N 1 2 327.494 3.521 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000136176985 1033759901 /nfs/dbraw/zinc/75/99/01/1033759901.db2.gz DIZQOTWJWBZWIM-UXHICEINSA-N 1 2 345.446 3.957 20 0 EHADLO Cc1cccnc1OC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000575029288 1033764823 /nfs/dbraw/zinc/76/48/23/1033764823.db2.gz ANCLFWLHGREFMJ-UHFFFAOYSA-N 1 2 341.386 3.714 20 0 EHADLO O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608586181 1033787566 /nfs/dbraw/zinc/78/75/66/1033787566.db2.gz OFAPTKMLPDIHFM-INIZCTEOSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000063858647 1033792248 /nfs/dbraw/zinc/79/22/48/1033792248.db2.gz TZMLRMBYQMKSGZ-IBGZPJMESA-N 1 2 348.446 3.961 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000063858647 1033792255 /nfs/dbraw/zinc/79/22/55/1033792255.db2.gz TZMLRMBYQMKSGZ-IBGZPJMESA-N 1 2 348.446 3.961 20 0 EHADLO C[N@H+](Cc1cccnc1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628234732 1033799749 /nfs/dbraw/zinc/79/97/49/1033799749.db2.gz LFVMMVIVHRGYPV-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO C[N@@H+](Cc1cccnc1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628234732 1033799763 /nfs/dbraw/zinc/79/97/63/1033799763.db2.gz LFVMMVIVHRGYPV-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000030144780 1033812628 /nfs/dbraw/zinc/81/26/28/1033812628.db2.gz VMEYBPDNSMOILR-STQMWFEESA-N 1 2 339.277 3.898 20 0 EHADLO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000030144780 1033812643 /nfs/dbraw/zinc/81/26/43/1033812643.db2.gz VMEYBPDNSMOILR-STQMWFEESA-N 1 2 339.277 3.898 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608656856 1033818975 /nfs/dbraw/zinc/81/89/75/1033818975.db2.gz GSKXERAWSKPCPC-VQIMIIECSA-N 1 2 329.488 3.612 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)NCCCCNc1cccc[nH+]1 ZINC000255631968 1033846876 /nfs/dbraw/zinc/84/68/76/1033846876.db2.gz OEAVRPWHFSZYNN-KHPPLWFESA-N 1 2 329.831 3.757 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000599297421 1033860339 /nfs/dbraw/zinc/86/03/39/1033860339.db2.gz PWDPSUVROUUTPA-HNNXBMFYSA-N 1 2 349.887 3.810 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000599297421 1033860355 /nfs/dbraw/zinc/86/03/55/1033860355.db2.gz PWDPSUVROUUTPA-HNNXBMFYSA-N 1 2 349.887 3.810 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608750161 1033860705 /nfs/dbraw/zinc/86/07/05/1033860705.db2.gz MKAZOBQQEYZSTB-GJZGRUSLSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608750161 1033860716 /nfs/dbraw/zinc/86/07/16/1033860716.db2.gz MKAZOBQQEYZSTB-GJZGRUSLSA-N 1 2 331.378 3.724 20 0 EHADLO CCCN(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000063941252 1033898584 /nfs/dbraw/zinc/89/85/84/1033898584.db2.gz QGBOIEMSRPRWBI-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)cs1 ZINC000120511394 1033908875 /nfs/dbraw/zinc/90/88/75/1033908875.db2.gz PQGOJYVNWZVRIU-SNPRPXQTSA-N 1 2 326.506 3.876 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)cs1 ZINC000120511394 1033908882 /nfs/dbraw/zinc/90/88/82/1033908882.db2.gz PQGOJYVNWZVRIU-SNPRPXQTSA-N 1 2 326.506 3.876 20 0 EHADLO CCC[N@H+](Cc1cccnc1C(F)(F)F)[C@H](CC)C(=O)OCC ZINC000599390055 1033912513 /nfs/dbraw/zinc/91/25/13/1033912513.db2.gz HRFVTEVNYKXTDP-CYBMUJFWSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1cccnc1C(F)(F)F)[C@H](CC)C(=O)OCC ZINC000599390055 1033912527 /nfs/dbraw/zinc/91/25/27/1033912527.db2.gz HRFVTEVNYKXTDP-CYBMUJFWSA-N 1 2 332.366 3.654 20 0 EHADLO C[C@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039232 1033990512 /nfs/dbraw/zinc/99/05/12/1033990512.db2.gz ZMUUNASWXSXUCW-LSDHHAIUSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039232 1033990518 /nfs/dbraw/zinc/99/05/18/1033990518.db2.gz ZMUUNASWXSXUCW-LSDHHAIUSA-N 1 2 329.419 3.517 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000595776830 1033996716 /nfs/dbraw/zinc/99/67/16/1033996716.db2.gz TZKRYLOZDHANOD-HNNXBMFYSA-N 1 2 335.341 3.519 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 ZINC000658155667 1034009056 /nfs/dbraw/zinc/00/90/56/1034009056.db2.gz CQYOBQBNRYTIMY-SFHVURJKSA-N 1 2 330.476 3.736 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 ZINC000658155666 1034010189 /nfs/dbraw/zinc/01/01/89/1034010189.db2.gz CQYOBQBNRYTIMY-GOSISDBHSA-N 1 2 330.476 3.736 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(C3CCCCC3)cc2)n1 ZINC000658162904 1034024891 /nfs/dbraw/zinc/02/48/91/1034024891.db2.gz XKFFWYVCAWFAGD-CQSZACIVSA-N 1 2 328.460 3.850 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)nn1 ZINC000658177949 1034044338 /nfs/dbraw/zinc/04/43/38/1034044338.db2.gz XNVUWMOVXWYUNV-ZDUSSCGKSA-N 1 2 341.484 3.505 20 0 EHADLO CCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H](C)C(C)C ZINC000074869362 1034045932 /nfs/dbraw/zinc/04/59/32/1034045932.db2.gz OWMGUAQWJRUEIF-SJLPKXTDSA-N 1 2 342.487 3.780 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000056817576 1034047066 /nfs/dbraw/zinc/04/70/66/1034047066.db2.gz AHIKAGDCRMNXNP-QFBILLFUSA-N 1 2 340.471 3.557 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000596051993 1034055356 /nfs/dbraw/zinc/05/53/56/1034055356.db2.gz WPWUAJICZRUVAF-AWEZNQCLSA-N 1 2 331.378 3.729 20 0 EHADLO C[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000074869796 1034055833 /nfs/dbraw/zinc/05/58/33/1034055833.db2.gz LWYPOVRHNSTVOM-NUJGCVRESA-N 1 2 340.471 3.534 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000596056094 1034057295 /nfs/dbraw/zinc/05/72/95/1034057295.db2.gz XMOFJMREVBNDDK-NSHDSACASA-N 1 2 338.329 3.989 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c(=S)n1C ZINC000171090782 1034060182 /nfs/dbraw/zinc/06/01/82/1034060182.db2.gz DEJGEKHNJKCGOI-INIZCTEOSA-N 1 2 348.491 3.878 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c(=S)n1C ZINC000171090782 1034060198 /nfs/dbraw/zinc/06/01/98/1034060198.db2.gz DEJGEKHNJKCGOI-INIZCTEOSA-N 1 2 348.491 3.878 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1F ZINC000658227578 1034087503 /nfs/dbraw/zinc/08/75/03/1034087503.db2.gz IKSAVAREZGQKSD-CYBMUJFWSA-N 1 2 336.794 3.886 20 0 EHADLO CCS[C@H](C)c1noc(CN(C)c2[nH+]ccc3c(N)cccc32)n1 ZINC000596166951 1034115324 /nfs/dbraw/zinc/11/53/24/1034115324.db2.gz ZZMMBOKUVMVECP-LLVKDONJSA-N 1 2 343.456 3.651 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(F)cc1OC ZINC000529523767 1034132093 /nfs/dbraw/zinc/13/20/93/1034132093.db2.gz YUFBDBGOLLLUKW-QGZVFWFLSA-N 1 2 330.403 3.965 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(F)cc1OC ZINC000529523767 1034132099 /nfs/dbraw/zinc/13/20/99/1034132099.db2.gz YUFBDBGOLLLUKW-QGZVFWFLSA-N 1 2 330.403 3.965 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3ccsc3Br)CC2)n1 ZINC000529524784 1034134634 /nfs/dbraw/zinc/13/46/34/1034134634.db2.gz JXCABHABIAGDSZ-UHFFFAOYSA-N 1 2 342.262 3.582 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC(C)(C)C3CCC3)cn2c1 ZINC000456144313 1034144259 /nfs/dbraw/zinc/14/42/59/1034144259.db2.gz KGRLHIQZKKHFDY-UHFFFAOYSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)n2c1 ZINC000537615886 1034158126 /nfs/dbraw/zinc/15/81/26/1034158126.db2.gz FHVFBGGJWJTUGC-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)n2c1 ZINC000537615886 1034158129 /nfs/dbraw/zinc/15/81/29/1034158129.db2.gz FHVFBGGJWJTUGC-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529555839 1034194393 /nfs/dbraw/zinc/19/43/93/1034194393.db2.gz HTXJCDTYFYJKGE-CMPLNLGQSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529555839 1034194408 /nfs/dbraw/zinc/19/44/08/1034194408.db2.gz HTXJCDTYFYJKGE-CMPLNLGQSA-N 1 2 347.684 3.623 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2Cl)c1C ZINC000057605283 1034200905 /nfs/dbraw/zinc/20/09/05/1034200905.db2.gz MYTRLXUUAYMYQG-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000119727293 1034211106 /nfs/dbraw/zinc/21/11/06/1034211106.db2.gz RMMCHDGUOYQGNG-CQSZACIVSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000119727293 1034211116 /nfs/dbraw/zinc/21/11/16/1034211116.db2.gz RMMCHDGUOYQGNG-CQSZACIVSA-N 1 2 327.255 3.580 20 0 EHADLO C[S@](=O)[C@@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000596376887 1034212656 /nfs/dbraw/zinc/21/26/56/1034212656.db2.gz VCVULEAYNVDYPB-SRGWNRLKSA-N 1 2 344.480 3.762 20 0 EHADLO CC[N@H+](Cc1ncc(Br)cc1F)[C@H](C)c1cccnc1 ZINC000529567845 1034223240 /nfs/dbraw/zinc/22/32/40/1034223240.db2.gz UYPYSCBYCIEAGQ-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1ncc(Br)cc1F)[C@H](C)c1cccnc1 ZINC000529567845 1034223253 /nfs/dbraw/zinc/22/32/53/1034223253.db2.gz UYPYSCBYCIEAGQ-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000537624062 1034260758 /nfs/dbraw/zinc/26/07/58/1034260758.db2.gz QSHIOHLSKKKJRR-LLVKDONJSA-N 1 2 327.325 3.704 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000537624062 1034260773 /nfs/dbraw/zinc/26/07/73/1034260773.db2.gz QSHIOHLSKKKJRR-LLVKDONJSA-N 1 2 327.325 3.704 20 0 EHADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120930376 1034262111 /nfs/dbraw/zinc/26/21/11/1034262111.db2.gz ACDVSLZHHZBNSF-HNNXBMFYSA-N 1 2 337.206 3.682 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861942 1034287070 /nfs/dbraw/zinc/28/70/70/1034287070.db2.gz XZMPXMUUGSGNQV-DLBZAZTESA-N 1 2 329.831 3.504 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862130 1034287389 /nfs/dbraw/zinc/28/73/89/1034287389.db2.gz GHAJIWXEPCXUHD-UHFFFAOYSA-N 1 2 347.846 3.559 20 0 EHADLO Cc1ccc2ncc(-c3noc([C@@H](CC(C)C)n4cc[nH+]c4)n3)n2c1 ZINC000924072556 1034299533 /nfs/dbraw/zinc/29/95/33/1034299533.db2.gz QPEXXCBRVMHNOR-CQSZACIVSA-N 1 2 336.399 3.525 20 0 EHADLO FC(F)(F)c1nc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000892439762 1034309041 /nfs/dbraw/zinc/30/90/41/1034309041.db2.gz ZBARRHHYMGYJIM-CYBMUJFWSA-N 1 2 341.402 3.526 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2ccccc2CC1 ZINC000456310504 1034311904 /nfs/dbraw/zinc/31/19/04/1034311904.db2.gz JXIYHKNKWDQYIR-UHFFFAOYSA-N 1 2 345.446 3.563 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)oc21 ZINC000148892610 1034356624 /nfs/dbraw/zinc/35/66/24/1034356624.db2.gz LHSUAOFXOHDNRG-UHFFFAOYSA-N 1 2 335.407 3.666 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc2ncsc2c1)n1cc[nH+]c1 ZINC000635828796 1034376649 /nfs/dbraw/zinc/37/66/49/1034376649.db2.gz OROQNFWSIPXRBW-CJNGLKHVSA-N 1 2 342.468 3.957 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3C)o2)CCO1 ZINC000529664300 1034387175 /nfs/dbraw/zinc/38/71/75/1034387175.db2.gz CMNHLRFQIYCYQB-KRWDZBQOSA-N 1 2 333.403 3.631 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3C)o2)CCO1 ZINC000529664300 1034387186 /nfs/dbraw/zinc/38/71/86/1034387186.db2.gz CMNHLRFQIYCYQB-KRWDZBQOSA-N 1 2 333.403 3.631 20 0 EHADLO CCOCCOCCN(C)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450471181 1034387682 /nfs/dbraw/zinc/38/76/82/1034387682.db2.gz CBIPBSKXJUPSJV-UHFFFAOYSA-N 1 2 342.361 3.743 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@H+](Cc3cnns3)C2)cc1Cl ZINC000450481950 1034407325 /nfs/dbraw/zinc/40/73/25/1034407325.db2.gz BSRNKCQARXFWMR-LLVKDONJSA-N 1 2 344.267 3.888 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnns3)C2)cc1Cl ZINC000450481950 1034407332 /nfs/dbraw/zinc/40/73/32/1034407332.db2.gz BSRNKCQARXFWMR-LLVKDONJSA-N 1 2 344.267 3.888 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000534349848 1034424597 /nfs/dbraw/zinc/42/45/97/1034424597.db2.gz AKNYMRCMALZFLL-UHFFFAOYSA-N 1 2 344.499 3.698 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cc(F)ccc1Cl ZINC000604621590 1034438507 /nfs/dbraw/zinc/43/85/07/1034438507.db2.gz MFBQDIWXQUNWEM-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000761207285 1034450360 /nfs/dbraw/zinc/45/03/60/1034450360.db2.gz ZRGDQIZELWHBOX-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000761207285 1034450366 /nfs/dbraw/zinc/45/03/66/1034450366.db2.gz ZRGDQIZELWHBOX-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO Cc1cc(NCCc2ccc(Br)s2)nc(C2CC2)[nH+]1 ZINC000604756594 1034498559 /nfs/dbraw/zinc/49/85/59/1034498559.db2.gz KIKLLFIMPWGBMP-UHFFFAOYSA-N 1 2 338.274 3.563 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000023667101 1034500544 /nfs/dbraw/zinc/50/05/44/1034500544.db2.gz OHODEJRLUBRFIP-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000023667101 1034500550 /nfs/dbraw/zinc/50/05/50/1034500550.db2.gz OHODEJRLUBRFIP-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000597018128 1034501282 /nfs/dbraw/zinc/50/12/82/1034501282.db2.gz CJKAWDRFQDWRIK-AWEZNQCLSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000597018128 1034501298 /nfs/dbraw/zinc/50/12/98/1034501298.db2.gz CJKAWDRFQDWRIK-AWEZNQCLSA-N 1 2 332.469 3.890 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)N(c2ccccc2)C(C)C)cc1F ZINC000061783621 1034514285 /nfs/dbraw/zinc/51/42/85/1034514285.db2.gz JHJNYWZZEHGDRU-UHFFFAOYSA-N 1 2 344.430 3.708 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)cc1F ZINC000061783621 1034514292 /nfs/dbraw/zinc/51/42/92/1034514292.db2.gz JHJNYWZZEHGDRU-UHFFFAOYSA-N 1 2 344.430 3.708 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)c(F)c1 ZINC000171613953 1034517820 /nfs/dbraw/zinc/51/78/20/1034517820.db2.gz GOTRGTGOTYDKSO-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)c(F)c1 ZINC000171613953 1034517833 /nfs/dbraw/zinc/51/78/33/1034517833.db2.gz GOTRGTGOTYDKSO-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000604861721 1034532025 /nfs/dbraw/zinc/53/20/25/1034532025.db2.gz OXASGGRODXSLJB-LAUBAEHRSA-N 1 2 336.479 3.948 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000548905402 1034542177 /nfs/dbraw/zinc/54/21/77/1034542177.db2.gz CBTZHFOKQPVTKB-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000548905402 1034542180 /nfs/dbraw/zinc/54/21/80/1034542180.db2.gz CBTZHFOKQPVTKB-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO CCCCn1c(SCC2(OC)CCC2)nnc1[C@H](CC)[NH+](C)C ZINC000450588264 1034548936 /nfs/dbraw/zinc/54/89/36/1034548936.db2.gz FJFSENYBHSTXBX-AWEZNQCLSA-N 1 2 340.537 3.752 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669601387 1034562733 /nfs/dbraw/zinc/56/27/33/1034562733.db2.gz SNLLQSCMQNTUIA-INIZCTEOSA-N 1 2 348.406 3.548 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000605052071 1034602449 /nfs/dbraw/zinc/60/24/49/1034602449.db2.gz DXAPPSXZUBJMTA-OAHLLOKOSA-N 1 2 344.434 3.733 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc3c(c2)CCC3)c1C ZINC000050254147 1034616141 /nfs/dbraw/zinc/61/61/41/1034616141.db2.gz JSNPKEYNBCWOIP-UHFFFAOYSA-N 1 2 341.480 3.682 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000450639696 1034632412 /nfs/dbraw/zinc/63/24/12/1034632412.db2.gz FASMJONHSCLAEK-STQMWFEESA-N 1 2 348.434 3.932 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154769 1034650460 /nfs/dbraw/zinc/65/04/60/1034650460.db2.gz ABBADFFSZRKZCO-YOEHRIQHSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154769 1034650471 /nfs/dbraw/zinc/65/04/71/1034650471.db2.gz ABBADFFSZRKZCO-YOEHRIQHSA-N 1 2 346.521 3.543 20 0 EHADLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccc(F)cc1Cl ZINC000177150829 1034700272 /nfs/dbraw/zinc/70/02/72/1034700272.db2.gz SLQFQEQKQIOEQG-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccc(F)cc1Cl ZINC000177150829 1034700288 /nfs/dbraw/zinc/70/02/88/1034700288.db2.gz SLQFQEQKQIOEQG-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO COc1cccc2c(N3CCCC[C@@H]3[C@H]3CCC[C@H]3O)cc[nH+]c12 ZINC000450674172 1034701946 /nfs/dbraw/zinc/70/19/46/1034701946.db2.gz BDCGYYYEUCJNRE-QGPMSJSTSA-N 1 2 326.440 3.763 20 0 EHADLO Brc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)nc1 ZINC000171959844 1034724890 /nfs/dbraw/zinc/72/48/90/1034724890.db2.gz HDNAUGCTPZIINV-UHFFFAOYSA-N 1 2 347.256 3.888 20 0 EHADLO Cc1cc(NC[C@](O)(c2ccccc2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000172015446 1034775200 /nfs/dbraw/zinc/77/52/00/1034775200.db2.gz LJHUDLKBWSIKRH-INIZCTEOSA-N 1 2 337.345 3.524 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324506 1034785440 /nfs/dbraw/zinc/78/54/40/1034785440.db2.gz BJRJEUYWARTYQX-FUHWJXTLSA-N 1 2 344.503 3.792 20 0 EHADLO CCC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000605574383 1034789131 /nfs/dbraw/zinc/78/91/31/1034789131.db2.gz CTLGQZXXDAZIOR-UHFFFAOYSA-N 1 2 347.459 3.622 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000605574383 1034789145 /nfs/dbraw/zinc/78/91/45/1034789145.db2.gz CTLGQZXXDAZIOR-UHFFFAOYSA-N 1 2 347.459 3.622 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278791727 1034789742 /nfs/dbraw/zinc/78/97/42/1034789742.db2.gz OCQOKNGQTHEBGN-NXEZZACHSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278791727 1034789754 /nfs/dbraw/zinc/78/97/54/1034789754.db2.gz OCQOKNGQTHEBGN-NXEZZACHSA-N 1 2 336.304 3.566 20 0 EHADLO Cc1ncc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)o1 ZINC000628254144 1034798516 /nfs/dbraw/zinc/79/85/16/1034798516.db2.gz OUPGOVRZTJEPEC-GFCCVEGCSA-N 1 2 325.231 3.682 20 0 EHADLO C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000612348448 1034824150 /nfs/dbraw/zinc/82/41/50/1034824150.db2.gz ZBIPZIQKBWQOSF-WNHJNPCNSA-N 1 2 329.488 3.899 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000584478840 1034900826 /nfs/dbraw/zinc/90/08/26/1034900826.db2.gz CZQHBTXZIYAYBM-QWRGUYRKSA-N 1 2 341.333 3.557 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000584478840 1034900833 /nfs/dbraw/zinc/90/08/33/1034900833.db2.gz CZQHBTXZIYAYBM-QWRGUYRKSA-N 1 2 341.333 3.557 20 0 EHADLO CCO[C@H](C)c1nc(C[NH+]2CCC(c3ccnn3CC)CC2)cs1 ZINC000375917653 1034915344 /nfs/dbraw/zinc/91/53/44/1034915344.db2.gz GTAWZOUFIURWPY-CQSZACIVSA-N 1 2 348.516 3.837 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472430746 1034936403 /nfs/dbraw/zinc/93/64/03/1034936403.db2.gz ZQXURGUWOZUHDQ-QWHCGFSZSA-N 1 2 348.796 3.632 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472430746 1034936414 /nfs/dbraw/zinc/93/64/14/1034936414.db2.gz ZQXURGUWOZUHDQ-QWHCGFSZSA-N 1 2 348.796 3.632 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cn(C)nc1C1CCCCC1 ZINC000375931585 1034954480 /nfs/dbraw/zinc/95/44/80/1034954480.db2.gz LJRZUPYOWXSRTA-UHFFFAOYSA-N 1 2 341.503 3.633 20 0 EHADLO FC(F)(F)c1ncc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)s1 ZINC000354441268 1035051145 /nfs/dbraw/zinc/05/11/45/1035051145.db2.gz YRLCHAOQHKQPDR-LBPRGKRZSA-N 1 2 332.391 3.553 20 0 EHADLO FC(F)(F)c1ncc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)s1 ZINC000354441268 1035051153 /nfs/dbraw/zinc/05/11/53/1035051153.db2.gz YRLCHAOQHKQPDR-LBPRGKRZSA-N 1 2 332.391 3.553 20 0 EHADLO Cc1[nH]c(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)[nH+]c1C ZINC000628298765 1035084389 /nfs/dbraw/zinc/08/43/89/1035084389.db2.gz QQRNNHBVLDWOBV-UHFFFAOYSA-N 1 2 344.406 3.881 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511371101 1035188994 /nfs/dbraw/zinc/18/89/94/1035188994.db2.gz LLZHOTNWWISACR-ROUUACIJSA-N 1 2 344.503 3.661 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511371099 1035189390 /nfs/dbraw/zinc/18/93/90/1035189390.db2.gz LLZHOTNWWISACR-MSOLQXFVSA-N 1 2 344.503 3.661 20 0 EHADLO CC1(C)C[C@H](NC(=O)NCCCNc2cccc[nH+]2)c2ccccc21 ZINC000431678382 1035200069 /nfs/dbraw/zinc/20/00/69/1035200069.db2.gz IILIAZWLTUEJNJ-KRWDZBQOSA-N 1 2 338.455 3.605 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612762642 1035203349 /nfs/dbraw/zinc/20/33/49/1035203349.db2.gz FEVZBAHTHJILOE-HNNXBMFYSA-N 1 2 330.457 3.615 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C2CCCC2)c1 ZINC000612903998 1035290513 /nfs/dbraw/zinc/29/05/13/1035290513.db2.gz DVYYKSLOXVAIFV-LJQANCHMSA-N 1 2 335.451 3.748 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613000169 1035345874 /nfs/dbraw/zinc/34/58/74/1035345874.db2.gz AJAJGIZLXHURPY-BFHYXJOUSA-N 1 2 346.500 3.632 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000016564111 1035367617 /nfs/dbraw/zinc/36/76/17/1035367617.db2.gz WXXBGYHSOYMAHC-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000016564111 1035367621 /nfs/dbraw/zinc/36/76/21/1035367621.db2.gz WXXBGYHSOYMAHC-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000376195941 1035399565 /nfs/dbraw/zinc/39/95/65/1035399565.db2.gz NHKJSAFUULQVKH-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000376195941 1035399569 /nfs/dbraw/zinc/39/95/69/1035399569.db2.gz NHKJSAFUULQVKH-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000613138792 1035417485 /nfs/dbraw/zinc/41/74/85/1035417485.db2.gz KZLHOMBXMZPEJT-ZWKOTPCHSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000613138792 1035417489 /nfs/dbraw/zinc/41/74/89/1035417489.db2.gz KZLHOMBXMZPEJT-ZWKOTPCHSA-N 1 2 348.437 3.797 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(N(C)C)sc2=S)c1 ZINC000066448331 1035470858 /nfs/dbraw/zinc/47/08/58/1035470858.db2.gz GTFTZILOBWCFNE-AWEZNQCLSA-N 1 2 334.514 3.843 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(N(C)C)sc2=S)c1 ZINC000066448331 1035470861 /nfs/dbraw/zinc/47/08/61/1035470861.db2.gz GTFTZILOBWCFNE-AWEZNQCLSA-N 1 2 334.514 3.843 20 0 EHADLO O=[N+]([O-])c1ccc2nc(NCCCCNc3cccc[nH+]3)sc2c1 ZINC000066466408 1035478351 /nfs/dbraw/zinc/47/83/51/1035478351.db2.gz BPODNIQLVMGXMH-UHFFFAOYSA-N 1 2 343.412 3.904 20 0 EHADLO Clc1cccc([C@H]2C[N@H+](CCCCCn3cccn3)CCO2)c1 ZINC000185595976 1035497735 /nfs/dbraw/zinc/49/77/35/1035497735.db2.gz VZQVBSOZTPUDPO-GOSISDBHSA-N 1 2 333.863 3.780 20 0 EHADLO Clc1cccc([C@H]2C[N@@H+](CCCCCn3cccn3)CCO2)c1 ZINC000185595976 1035497741 /nfs/dbraw/zinc/49/77/41/1035497741.db2.gz VZQVBSOZTPUDPO-GOSISDBHSA-N 1 2 333.863 3.780 20 0 EHADLO COCC1=CC[N@H+](CC(=O)c2cc(C)n(CCC(C)C)c2C)CC1 ZINC000185832724 1035519108 /nfs/dbraw/zinc/51/91/08/1035519108.db2.gz GFRILWFYOGRRJF-UHFFFAOYSA-N 1 2 332.488 3.612 20 0 EHADLO COCC1=CC[N@@H+](CC(=O)c2cc(C)n(CCC(C)C)c2C)CC1 ZINC000185832724 1035519117 /nfs/dbraw/zinc/51/91/17/1035519117.db2.gz GFRILWFYOGRRJF-UHFFFAOYSA-N 1 2 332.488 3.612 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(Br)c(F)c1 ZINC000492258407 1035532215 /nfs/dbraw/zinc/53/22/15/1035532215.db2.gz MPBUUJPKPMHEQO-GFCCVEGCSA-N 1 2 348.599 3.658 20 0 EHADLO Cc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1C ZINC000646436817 1035558108 /nfs/dbraw/zinc/55/81/08/1035558108.db2.gz CFLUIHYSQNDLFW-UHFFFAOYSA-N 1 2 344.846 3.706 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431799936 1035582624 /nfs/dbraw/zinc/58/26/24/1035582624.db2.gz VHUCRJAVPXYBIZ-YVWKXTFCSA-N 1 2 337.467 3.654 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1scnc1C1CC1 ZINC000760670945 1035584269 /nfs/dbraw/zinc/58/42/69/1035584269.db2.gz GONHQSURYJWXOJ-UHFFFAOYSA-N 1 2 325.393 3.563 20 0 EHADLO C[C@@H]1C[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000669233111 1035618845 /nfs/dbraw/zinc/61/88/45/1035618845.db2.gz CMKFPWQIYFVANY-BWCYVWJYSA-N 1 2 343.858 3.691 20 0 EHADLO COc1c(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)c(C)nn1C ZINC000414131169 1035686162 /nfs/dbraw/zinc/68/61/62/1035686162.db2.gz KKFAZKNSFOKBLN-CYBMUJFWSA-N 1 2 342.468 3.711 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c(C)c1 ZINC000414130629 1035686246 /nfs/dbraw/zinc/68/62/46/1035686246.db2.gz JSQYSCIZPBXJGX-ZDUSSCGKSA-N 1 2 348.468 3.878 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)C2 ZINC000457086665 1035700801 /nfs/dbraw/zinc/70/08/01/1035700801.db2.gz PWBFGVBDKIUANJ-HUUCEWRRSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)CC2 ZINC000457086665 1035700822 /nfs/dbraw/zinc/70/08/22/1035700822.db2.gz PWBFGVBDKIUANJ-HUUCEWRRSA-N 1 2 331.504 3.923 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1ccn(C)n1 ZINC000414136084 1035701535 /nfs/dbraw/zinc/70/15/35/1035701535.db2.gz HQLZMCRAZRISII-NOZJJQNGSA-N 1 2 338.274 3.680 20 0 EHADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1ccc(Cl)cn1 ZINC000186933923 1035724186 /nfs/dbraw/zinc/72/41/86/1035724186.db2.gz IBAAMFAWDAKOEP-UHFFFAOYSA-N 1 2 335.860 3.615 20 0 EHADLO CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCO1 ZINC000540871048 1035752749 /nfs/dbraw/zinc/75/27/49/1035752749.db2.gz DWUQPVLECMJNQH-NVXWUHKLSA-N 1 2 344.459 3.748 20 0 EHADLO CCCOc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c(C)c1 ZINC000540886497 1035760795 /nfs/dbraw/zinc/76/07/95/1035760795.db2.gz NTBMSJWSGYNQPN-UHFFFAOYSA-N 1 2 336.395 3.617 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)[nH+]c12 ZINC000540893532 1035770915 /nfs/dbraw/zinc/77/09/15/1035770915.db2.gz DHNLZGNGHLEYEB-CYBMUJFWSA-N 1 2 341.377 3.669 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000187173658 1035780379 /nfs/dbraw/zinc/78/03/79/1035780379.db2.gz KOOSKENOLSOYOQ-OAQYLSRUSA-N 1 2 334.388 3.623 20 0 EHADLO Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)c(C)[nH+]1 ZINC000187287953 1035804596 /nfs/dbraw/zinc/80/45/96/1035804596.db2.gz GJQMSRMLZRGUFO-UHFFFAOYSA-N 1 2 328.416 3.925 20 0 EHADLO Fc1ccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c(Cl)c1 ZINC000187502052 1035830659 /nfs/dbraw/zinc/83/06/59/1035830659.db2.gz AEDYADVXUFVAAO-QGZVFWFLSA-N 1 2 345.805 3.700 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000613427864 1035846783 /nfs/dbraw/zinc/84/67/83/1035846783.db2.gz RHYGSRZEQJUPNS-INIZCTEOSA-N 1 2 342.870 3.788 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000588266946 1035871097 /nfs/dbraw/zinc/87/10/97/1035871097.db2.gz JARYFGAFHFTKJB-UHFFFAOYSA-N 1 2 340.471 3.665 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)c1ccn(C)n1 ZINC000414171255 1035875387 /nfs/dbraw/zinc/87/53/87/1035875387.db2.gz CZCOOEYRHFNOCE-NXEZZACHSA-N 1 2 326.213 3.734 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000586283689 1035879750 /nfs/dbraw/zinc/87/97/50/1035879750.db2.gz AAEBRBBTBIOJBC-GOSISDBHSA-N 1 2 349.544 3.934 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cn2c1 ZINC000492508670 1035917613 /nfs/dbraw/zinc/91/76/13/1035917613.db2.gz JNGUKEIGOUXAMO-ZMSDIMECSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535036448 1035918259 /nfs/dbraw/zinc/91/82/59/1035918259.db2.gz UWWCUORQSXVBSP-INIZCTEOSA-N 1 2 326.440 3.958 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000628375092 1035940248 /nfs/dbraw/zinc/94/02/48/1035940248.db2.gz YYLQELXPVNIHPR-UHFFFAOYSA-N 1 2 343.324 3.673 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1cscn1 ZINC000535064581 1035951217 /nfs/dbraw/zinc/95/12/17/1035951217.db2.gz YMJMHSYSWXDHGF-AWEZNQCLSA-N 1 2 325.437 3.968 20 0 EHADLO Cc1cc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cnc1Cl ZINC000760698546 1035971972 /nfs/dbraw/zinc/97/19/72/1035971972.db2.gz KTGVXFJUUJBQBE-UHFFFAOYSA-N 1 2 341.846 3.649 20 0 EHADLO Cc1cccc([C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)c1 ZINC000572124147 1036008331 /nfs/dbraw/zinc/00/83/31/1036008331.db2.gz JOFZACLVTLJLBT-WFASDCNBSA-N 1 2 325.334 3.562 20 0 EHADLO CCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163202 1036052318 /nfs/dbraw/zinc/05/23/18/1036052318.db2.gz LFNSCZAQJBJBEU-PBHICJAKSA-N 1 2 328.378 3.546 20 0 EHADLO CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163202 1036052336 /nfs/dbraw/zinc/05/23/36/1036052336.db2.gz LFNSCZAQJBJBEU-PBHICJAKSA-N 1 2 328.378 3.546 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1C ZINC000541178430 1036062494 /nfs/dbraw/zinc/06/24/94/1036062494.db2.gz FFHAKZQKPZQISM-AOIWGVFYSA-N 1 2 346.519 3.910 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1C ZINC000541178431 1036064326 /nfs/dbraw/zinc/06/43/26/1036064326.db2.gz FFHAKZQKPZQISM-LMMKCTJWSA-N 1 2 346.519 3.910 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492616878 1036084508 /nfs/dbraw/zinc/08/45/08/1036084508.db2.gz LKZLERADCJNJGH-WSCHBXBGSA-N 1 2 331.419 3.741 20 0 EHADLO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(F)cc1F ZINC000414231580 1036187904 /nfs/dbraw/zinc/18/79/04/1036187904.db2.gz HHQCWMKIDLBRIC-INIZCTEOSA-N 1 2 339.407 3.609 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc2c(s1)CCC2 ZINC000414232933 1036195905 /nfs/dbraw/zinc/19/59/05/1036195905.db2.gz DMSJIGJYZXHAJE-SECBINFHSA-N 1 2 327.375 3.896 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000056316735 1036229349 /nfs/dbraw/zinc/22/93/49/1036229349.db2.gz HKNPTMRNZQBLMW-LLVKDONJSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000056316735 1036229361 /nfs/dbraw/zinc/22/93/61/1036229361.db2.gz HKNPTMRNZQBLMW-LLVKDONJSA-N 1 2 330.881 3.891 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1F ZINC000535258513 1036245472 /nfs/dbraw/zinc/24/54/72/1036245472.db2.gz RMBCCLHGJZTANQ-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)C(C)C ZINC000175210483 1036281313 /nfs/dbraw/zinc/28/13/13/1036281313.db2.gz NCIYSVYHSQCWLT-QGZVFWFLSA-N 1 2 346.519 3.622 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)on1)Cc1ccc2c(c1)OCCO2 ZINC000589250070 1036320702 /nfs/dbraw/zinc/32/07/02/1036320702.db2.gz VMVMDCCONSKQTJ-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)on1)Cc1ccc2c(c1)OCCO2 ZINC000589250070 1036320719 /nfs/dbraw/zinc/32/07/19/1036320719.db2.gz VMVMDCCONSKQTJ-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO Cc1occc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000414264999 1036340608 /nfs/dbraw/zinc/34/06/08/1036340608.db2.gz GMMHHAJECZZFCH-UHFFFAOYSA-N 1 2 344.724 3.593 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000584509075 1036348954 /nfs/dbraw/zinc/34/89/54/1036348954.db2.gz JPHSOQKGBWIUGX-BQFCYCMXSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376379081 1036392828 /nfs/dbraw/zinc/39/28/28/1036392828.db2.gz WENQQQFCKZQHHM-GFCCVEGCSA-N 1 2 343.427 3.712 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000191597386 1036418254 /nfs/dbraw/zinc/41/82/54/1036418254.db2.gz MYOGWVYMBHVJRW-BEFAXECRSA-N 1 2 338.455 3.553 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000170893238 1036422988 /nfs/dbraw/zinc/42/29/88/1036422988.db2.gz LHRGPLZUEFVASP-OAHLLOKOSA-N 1 2 327.403 3.736 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000457708034 1036424374 /nfs/dbraw/zinc/42/43/74/1036424374.db2.gz KCAYYRZUZVVRBI-HNNXBMFYSA-N 1 2 327.419 3.583 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1Br ZINC000102409497 1036444620 /nfs/dbraw/zinc/44/46/20/1036444620.db2.gz XGWGTAJAFJHHFP-ZDUSSCGKSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1Br ZINC000102409497 1036444635 /nfs/dbraw/zinc/44/46/35/1036444635.db2.gz XGWGTAJAFJHHFP-ZDUSSCGKSA-N 1 2 338.224 3.622 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccc1OCc1ccccc1 ZINC000192151126 1036478397 /nfs/dbraw/zinc/47/83/97/1036478397.db2.gz DPVGYYQAGJBOBQ-MRXNPFEDSA-N 1 2 349.434 3.915 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1(C)C ZINC000457781887 1036501440 /nfs/dbraw/zinc/50/14/40/1036501440.db2.gz YPFKLKBZCQAADY-SFHVURJKSA-N 1 2 340.471 3.507 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccn(C)n1 ZINC000572818553 1036507876 /nfs/dbraw/zinc/50/78/76/1036507876.db2.gz XKAIIXHFCMJGFB-INIZCTEOSA-N 1 2 346.519 3.565 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2 ZINC000192466804 1036511496 /nfs/dbraw/zinc/51/14/96/1036511496.db2.gz PFDPEJWEQALFOU-OLZOCXBDSA-N 1 2 337.379 3.877 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 ZINC000192466815 1036513281 /nfs/dbraw/zinc/51/32/81/1036513281.db2.gz PFDPEJWEQALFOU-QWHCGFSZSA-N 1 2 337.379 3.877 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000064401229 1036531188 /nfs/dbraw/zinc/53/11/88/1036531188.db2.gz QMYYRHNSVOWLPD-UHFFFAOYSA-N 1 2 336.530 3.655 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000064401229 1036531203 /nfs/dbraw/zinc/53/12/03/1036531203.db2.gz QMYYRHNSVOWLPD-UHFFFAOYSA-N 1 2 336.530 3.655 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3csc4ccccc34)sc2C1 ZINC000192604339 1036534054 /nfs/dbraw/zinc/53/40/54/1036534054.db2.gz ONIBIVLXBKQHSW-UHFFFAOYSA-N 1 2 329.450 3.598 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3csc4ccccc34)sc2C1 ZINC000192604339 1036534067 /nfs/dbraw/zinc/53/40/67/1036534067.db2.gz ONIBIVLXBKQHSW-UHFFFAOYSA-N 1 2 329.450 3.598 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)cn1 ZINC000541645598 1036538637 /nfs/dbraw/zinc/53/86/37/1036538637.db2.gz UDJUJVSDZJSBLS-CHWSQXEVSA-N 1 2 325.416 3.525 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589603579 1036543499 /nfs/dbraw/zinc/54/34/99/1036543499.db2.gz YQKGWAUGOHXALZ-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589603579 1036543514 /nfs/dbraw/zinc/54/35/14/1036543514.db2.gz YQKGWAUGOHXALZ-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)cc1 ZINC000589639041 1036567576 /nfs/dbraw/zinc/56/75/76/1036567576.db2.gz OPGZTIUKEKZNHK-CYBMUJFWSA-N 1 2 334.423 3.762 20 0 EHADLO Cc1ccc(Nc2nnc(SCCCn3cc[nH+]c3)s2)cc1 ZINC000541784538 1036636599 /nfs/dbraw/zinc/63/65/99/1036636599.db2.gz BVJYFDTUUDXGTR-UHFFFAOYSA-N 1 2 331.470 3.969 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000376419002 1036652903 /nfs/dbraw/zinc/65/29/03/1036652903.db2.gz FDBMLKLOMJVIAL-RDJZCZTQSA-N 1 2 345.874 3.655 20 0 EHADLO CCO[C@@H](C)c1nc(CN2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000535575786 1036689438 /nfs/dbraw/zinc/68/94/38/1036689438.db2.gz SBQLZKMVZTUIHL-AWEZNQCLSA-N 1 2 346.500 3.712 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)cc1 ZINC000535577137 1036692803 /nfs/dbraw/zinc/69/28/03/1036692803.db2.gz SMONUQSQRQXBFQ-UHFFFAOYSA-N 1 2 325.437 3.919 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)cc1 ZINC000535577137 1036692817 /nfs/dbraw/zinc/69/28/17/1036692817.db2.gz SMONUQSQRQXBFQ-UHFFFAOYSA-N 1 2 325.437 3.919 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)[nH+]c12 ZINC000590028551 1036715730 /nfs/dbraw/zinc/71/57/30/1036715730.db2.gz FJNMMUBMOJLDFQ-SJLPKXTDSA-N 1 2 327.472 3.906 20 0 EHADLO OCCC[N@H+](Cc1noc2c1CCCC2)Cc1cccc(Cl)c1 ZINC000134286541 1036718969 /nfs/dbraw/zinc/71/89/69/1036718969.db2.gz BWODSXOBYFYOTG-UHFFFAOYSA-N 1 2 334.847 3.591 20 0 EHADLO OCCC[N@@H+](Cc1noc2c1CCCC2)Cc1cccc(Cl)c1 ZINC000134286541 1036718981 /nfs/dbraw/zinc/71/89/81/1036718981.db2.gz BWODSXOBYFYOTG-UHFFFAOYSA-N 1 2 334.847 3.591 20 0 EHADLO C[C@H](CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000493111163 1036719230 /nfs/dbraw/zinc/71/92/30/1036719230.db2.gz CDLJZPGQCYUJRY-IRBQFCFKSA-N 1 2 337.345 3.590 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000590059751 1036741784 /nfs/dbraw/zinc/74/17/84/1036741784.db2.gz KOZBCKBBBURVPM-GFCCVEGCSA-N 1 2 335.810 3.814 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000590059751 1036741804 /nfs/dbraw/zinc/74/18/04/1036741804.db2.gz KOZBCKBBBURVPM-GFCCVEGCSA-N 1 2 335.810 3.814 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2Nc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000669823586 1036749623 /nfs/dbraw/zinc/74/96/23/1036749623.db2.gz IKQWRXBFVVIPQO-MSOLQXFVSA-N 1 2 334.423 3.853 20 0 EHADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ncc(CSC)s1 ZINC000590184472 1036789387 /nfs/dbraw/zinc/78/93/87/1036789387.db2.gz BIERQHMXFRRUQO-CYBMUJFWSA-N 1 2 336.482 3.628 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(Br)c1 ZINC000464812262 1036821975 /nfs/dbraw/zinc/82/19/75/1036821975.db2.gz FBERPMXHIGLJAJ-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)c(Br)c1 ZINC000464812262 1036821990 /nfs/dbraw/zinc/82/19/90/1036821990.db2.gz FBERPMXHIGLJAJ-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)s1 ZINC000590362430 1036856153 /nfs/dbraw/zinc/85/61/53/1036856153.db2.gz HGYBJIPYHRARQL-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)s1 ZINC000590362430 1036856179 /nfs/dbraw/zinc/85/61/79/1036856179.db2.gz HGYBJIPYHRARQL-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1nc(C(C)(C)C)no1 ZINC000174659773 1036904953 /nfs/dbraw/zinc/90/49/53/1036904953.db2.gz XBTLVRPUGXRIAW-LBPRGKRZSA-N 1 2 329.444 3.931 20 0 EHADLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000177669937 1036907787 /nfs/dbraw/zinc/90/77/87/1036907787.db2.gz UPDXMGZJVSTAMV-UHFFFAOYSA-N 1 2 327.815 3.582 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000470941931 1036936311 /nfs/dbraw/zinc/93/63/11/1036936311.db2.gz ZQFAAPHJWHDPGI-MWLCHTKSSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000470941931 1036936327 /nfs/dbraw/zinc/93/63/27/1036936327.db2.gz ZQFAAPHJWHDPGI-MWLCHTKSSA-N 1 2 331.769 3.999 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000177831741 1036946482 /nfs/dbraw/zinc/94/64/82/1036946482.db2.gz JRYHHQJKGATRSA-AUUYWEPGSA-N 1 2 340.471 3.578 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000177831741 1036946493 /nfs/dbraw/zinc/94/64/93/1036946493.db2.gz JRYHHQJKGATRSA-AUUYWEPGSA-N 1 2 340.471 3.578 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c[nH]c3cccc(F)c23)n1 ZINC000761402529 1036955523 /nfs/dbraw/zinc/95/55/23/1036955523.db2.gz KSPFMBIBGARGIT-UHFFFAOYSA-N 1 2 346.431 3.858 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000376456377 1036971400 /nfs/dbraw/zinc/97/14/00/1036971400.db2.gz XMDYXSMOTYZSHQ-KZSTWYPGSA-N 1 2 339.439 3.608 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1C ZINC000539609639 1036972227 /nfs/dbraw/zinc/97/22/27/1036972227.db2.gz XPIVUPHIXBGOOR-RBUKOAKNSA-N 1 2 332.488 3.837 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000590605064 1036984137 /nfs/dbraw/zinc/98/41/37/1036984137.db2.gz YVRCZUVFOSKQHF-KRWDZBQOSA-N 1 2 327.428 3.540 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000590605064 1036984148 /nfs/dbraw/zinc/98/41/48/1036984148.db2.gz YVRCZUVFOSKQHF-KRWDZBQOSA-N 1 2 327.428 3.540 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000024750303 1036988540 /nfs/dbraw/zinc/98/85/40/1036988540.db2.gz YIBKAFRPWTXWNW-OALUTQOASA-N 1 2 337.467 3.786 20 0 EHADLO CCCCOc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178184478 1037007396 /nfs/dbraw/zinc/00/73/96/1037007396.db2.gz LMBHCNMTCRFLBA-UHFFFAOYSA-N 1 2 338.411 3.835 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590727017 1037008294 /nfs/dbraw/zinc/00/82/94/1037008294.db2.gz HRLUGZZETHFIMT-LJQANCHMSA-N 1 2 325.456 3.768 20 0 EHADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590734135 1037035705 /nfs/dbraw/zinc/03/57/05/1037035705.db2.gz TXOLALCEIKANQF-INIZCTEOSA-N 1 2 348.450 3.721 20 0 EHADLO FC(F)(F)c1nc(CNc2ccc(N3CCCC3)c[nH+]2)cs1 ZINC000892640970 1037047350 /nfs/dbraw/zinc/04/73/50/1037047350.db2.gz SLHXKBRFLBPFCT-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO O=C(NCC1=CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666452061 1037064146 /nfs/dbraw/zinc/06/41/46/1037064146.db2.gz VEOXPHPNLPKBGE-UHFFFAOYSA-N 1 2 334.423 3.834 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000636435774 1037075294 /nfs/dbraw/zinc/07/52/94/1037075294.db2.gz AQCJDCTXFSEPHP-LBPRGKRZSA-N 1 2 337.345 3.720 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000761508000 1037079500 /nfs/dbraw/zinc/07/95/00/1037079500.db2.gz PVEGPUBSHSVEKV-JKSUJKDBSA-N 1 2 336.549 3.611 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168453719 1037080344 /nfs/dbraw/zinc/08/03/44/1037080344.db2.gz GXWRAIMTYNHQRE-ACJLOTCBSA-N 1 2 349.833 3.784 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590846979 1037082402 /nfs/dbraw/zinc/08/24/02/1037082402.db2.gz CQQISEDAWFMMMT-MSOLQXFVSA-N 1 2 326.444 3.771 20 0 EHADLO COc1ccc[nH+]c1N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000542144722 1037106153 /nfs/dbraw/zinc/10/61/53/1037106153.db2.gz WAVSKUMRSMYHTA-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CCc1cccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542166752 1037129029 /nfs/dbraw/zinc/12/90/29/1037129029.db2.gz YPPGSQKVZBGJDA-UHFFFAOYSA-N 1 2 339.483 3.707 20 0 EHADLO Cc1scc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1C ZINC000180754665 1037150613 /nfs/dbraw/zinc/15/06/13/1037150613.db2.gz RHURPFNIWULONS-UHFFFAOYSA-N 1 2 333.453 3.875 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1OC(C)C ZINC000573042539 1037169913 /nfs/dbraw/zinc/16/99/13/1037169913.db2.gz FCZSMQHRVJERIE-UHFFFAOYSA-N 1 2 338.411 3.752 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2ccc(F)cc2)CCC1 ZINC000591061507 1037221532 /nfs/dbraw/zinc/22/15/32/1037221532.db2.gz BWQVSWYGBPPULY-UHFFFAOYSA-N 1 2 341.430 3.651 20 0 EHADLO COc1ccc(N(CC2CC2)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000584513553 1037230704 /nfs/dbraw/zinc/23/07/04/1037230704.db2.gz NQUXINUSPMYAGH-UHFFFAOYSA-N 1 2 349.434 3.637 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C\c3cnccc3C)cc2)c1C ZINC000493330144 1037234974 /nfs/dbraw/zinc/23/49/74/1037234974.db2.gz XXLGTYLGFRAIFP-WTKPLQERSA-N 1 2 332.407 3.844 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)cnc12 ZINC000539817261 1037235333 /nfs/dbraw/zinc/23/53/33/1037235333.db2.gz MLRCDNNSXPGSEA-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)cnc12 ZINC000539817261 1037235353 /nfs/dbraw/zinc/23/53/53/1037235353.db2.gz MLRCDNNSXPGSEA-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1cccc(NC(=O)C[C@H](C)Nc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000549085085 1037248547 /nfs/dbraw/zinc/24/85/47/1037248547.db2.gz FKZADEWMFZBCBF-INIZCTEOSA-N 1 2 338.455 3.819 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000493325521 1037257574 /nfs/dbraw/zinc/25/75/74/1037257574.db2.gz RUZAFPFMZPBUAA-SREVYHEPSA-N 1 2 330.819 3.705 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360295538 1037273700 /nfs/dbraw/zinc/27/37/00/1037273700.db2.gz GIANRGIRLNVCTJ-MRXNPFEDSA-N 1 2 334.851 3.612 20 0 EHADLO CCC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000591231607 1037279647 /nfs/dbraw/zinc/27/96/47/1037279647.db2.gz LEUYMMPHKMGROR-IBGZPJMESA-N 1 2 334.423 3.598 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136203 1037290999 /nfs/dbraw/zinc/29/09/99/1037290999.db2.gz REHRTCXGQCWXEW-WMZOPIPTSA-N 1 2 339.483 3.803 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136203 1037291001 /nfs/dbraw/zinc/29/10/01/1037291001.db2.gz REHRTCXGQCWXEW-WMZOPIPTSA-N 1 2 339.483 3.803 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000573134285 1037298046 /nfs/dbraw/zinc/29/80/46/1037298046.db2.gz DUDHDSSDAYOJKC-GHMZBOCLSA-N 1 2 340.254 3.815 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000573134285 1037298063 /nfs/dbraw/zinc/29/80/63/1037298063.db2.gz DUDHDSSDAYOJKC-GHMZBOCLSA-N 1 2 340.254 3.815 20 0 EHADLO Cc1cccc([C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000542323195 1037301677 /nfs/dbraw/zinc/30/16/77/1037301677.db2.gz QTPDIIHPCXDTGX-SFHVURJKSA-N 1 2 333.435 3.510 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)n1 ZINC000376502861 1037306948 /nfs/dbraw/zinc/30/69/48/1037306948.db2.gz RBTHLCLAHJGPKI-DNVCBOLYSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)n1 ZINC000376502861 1037306966 /nfs/dbraw/zinc/30/69/66/1037306966.db2.gz RBTHLCLAHJGPKI-DNVCBOLYSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395572 1037317140 /nfs/dbraw/zinc/31/71/40/1037317140.db2.gz KHLYUJMDNMPBPT-GJZGRUSLSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395572 1037317156 /nfs/dbraw/zinc/31/71/56/1037317156.db2.gz KHLYUJMDNMPBPT-GJZGRUSLSA-N 1 2 349.521 3.838 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(Cc2ccccc2)CC1 ZINC000177037938 1037333376 /nfs/dbraw/zinc/33/33/76/1037333376.db2.gz VFECDKIANFUCDE-UHFFFAOYSA-N 1 2 345.446 3.571 20 0 EHADLO Cc1cc([C@H]([NH2+]CC(=O)NC(C)C)c2ccccc2Cl)ccc1F ZINC000491343705 1037361841 /nfs/dbraw/zinc/36/18/41/1037361841.db2.gz QYNQKHFTXQJXSL-IBGZPJMESA-N 1 2 348.849 3.991 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000491387972 1037424994 /nfs/dbraw/zinc/42/49/94/1037424994.db2.gz RQLQKLNLFKXADQ-JGRHXKAPSA-N 1 2 325.412 3.546 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491438119 1037468206 /nfs/dbraw/zinc/46/82/06/1037468206.db2.gz ZPSUBASIBSJRND-PODYEWJSSA-N 1 2 349.356 3.848 20 0 EHADLO Cn1nc2c(c1C[NH2+]Cc1csc(-c3ccccc3)n1)CCCC2 ZINC000462869913 1037496078 /nfs/dbraw/zinc/49/60/78/1037496078.db2.gz CDMQDZQQVSZYRS-UHFFFAOYSA-N 1 2 338.480 3.712 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3ncc(C4CC4)o3)CC2)c1C ZINC000760842825 1037516873 /nfs/dbraw/zinc/51/68/73/1037516873.db2.gz BUHUBNCHSSCJEO-UHFFFAOYSA-N 1 2 326.440 3.652 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccccc1F ZINC000532491202 1037517946 /nfs/dbraw/zinc/51/79/46/1037517946.db2.gz UDUVWAGGYFXLIO-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccccc1F ZINC000532491202 1037517949 /nfs/dbraw/zinc/51/79/49/1037517949.db2.gz UDUVWAGGYFXLIO-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3c2cc(F)cc3F)s1 ZINC000591660652 1037536866 /nfs/dbraw/zinc/53/68/66/1037536866.db2.gz RTEOGQFPESDKDG-SDBXPKJASA-N 1 2 338.379 3.546 20 0 EHADLO COc1cc(CCC2CCN(c3cc[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000462923094 1037549196 /nfs/dbraw/zinc/54/91/96/1037549196.db2.gz BKPVRHJQBWXAJM-UHFFFAOYSA-N 1 2 341.455 3.651 20 0 EHADLO COc1c(C)cnc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1C ZINC000303717228 1037684029 /nfs/dbraw/zinc/68/40/29/1037684029.db2.gz QWDPIHJACQPLAV-SFHVURJKSA-N 1 2 328.481 3.997 20 0 EHADLO COc1c(C)cnc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1C ZINC000303717228 1037684034 /nfs/dbraw/zinc/68/40/34/1037684034.db2.gz QWDPIHJACQPLAV-SFHVURJKSA-N 1 2 328.481 3.997 20 0 EHADLO Cc1nc(Cl)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1Br ZINC001233467820 1037695499 /nfs/dbraw/zinc/69/54/99/1037695499.db2.gz UOTHZUUABXVABW-LBPRGKRZSA-N 1 2 347.684 3.807 20 0 EHADLO Cc1nc(Cl)c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1Br ZINC001233467820 1037695525 /nfs/dbraw/zinc/69/55/25/1037695525.db2.gz UOTHZUUABXVABW-LBPRGKRZSA-N 1 2 347.684 3.807 20 0 EHADLO COc1ccc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029916717 1037739223 /nfs/dbraw/zinc/73/92/23/1037739223.db2.gz MYBFJBFYHVVRKO-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378041952 1037740235 /nfs/dbraw/zinc/74/02/35/1037740235.db2.gz GWVFQAXSRMHIMB-KRWDZBQOSA-N 1 2 326.444 3.840 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378041952 1037740249 /nfs/dbraw/zinc/74/02/49/1037740249.db2.gz GWVFQAXSRMHIMB-KRWDZBQOSA-N 1 2 326.444 3.840 20 0 EHADLO O=C(c1c(Cl)oc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000651239740 1037745897 /nfs/dbraw/zinc/74/58/97/1037745897.db2.gz BLBRBECEHSAVAF-LLVKDONJSA-N 1 2 329.787 3.829 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780770 1037764172 /nfs/dbraw/zinc/76/41/72/1037764172.db2.gz ZVFRSPYUCXEYFP-HOTGVXAUSA-N 1 2 326.444 3.566 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780770 1037764188 /nfs/dbraw/zinc/76/41/88/1037764188.db2.gz ZVFRSPYUCXEYFP-HOTGVXAUSA-N 1 2 326.444 3.566 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CC(C)C)CC1 ZINC000760921235 1037790589 /nfs/dbraw/zinc/79/05/89/1037790589.db2.gz QSNRXKLQTIYRPF-UHFFFAOYSA-N 1 2 327.476 3.537 20 0 EHADLO CCCC(C)(C)CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000491926486 1037791665 /nfs/dbraw/zinc/79/16/65/1037791665.db2.gz AXELKVYSYVZLHD-UHFFFAOYSA-N 1 2 327.472 3.807 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000053125302 1037800730 /nfs/dbraw/zinc/80/07/30/1037800730.db2.gz WWWVMQMSXOIVCK-OAHLLOKOSA-N 1 2 344.430 3.534 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000053125302 1037800750 /nfs/dbraw/zinc/80/07/50/1037800750.db2.gz WWWVMQMSXOIVCK-OAHLLOKOSA-N 1 2 344.430 3.534 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](Cc4ccccc4)C3)[nH+]c12 ZINC000592059089 1037805976 /nfs/dbraw/zinc/80/59/76/1037805976.db2.gz GBVGWTTVNNJLRP-IBGZPJMESA-N 1 2 347.462 3.667 20 0 EHADLO Cc1ccc(SCCNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454158489 1037814100 /nfs/dbraw/zinc/81/41/00/1037814100.db2.gz DSUYPEYDOXSGSG-UHFFFAOYSA-N 1 2 329.469 3.598 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1c(F)cccc1F ZINC000540324376 1037818702 /nfs/dbraw/zinc/81/87/02/1037818702.db2.gz ANNHYEAIROPMCQ-VIFPVBQESA-N 1 2 326.293 3.532 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378086736 1037846070 /nfs/dbraw/zinc/84/60/70/1037846070.db2.gz PPMOTCFOMNTOJR-CQSZACIVSA-N 1 2 327.428 3.607 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378086736 1037846092 /nfs/dbraw/zinc/84/60/92/1037846092.db2.gz PPMOTCFOMNTOJR-CQSZACIVSA-N 1 2 327.428 3.607 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082637 1037860064 /nfs/dbraw/zinc/86/00/64/1037860064.db2.gz IHLAAXJGHMRNHH-UHFFFAOYSA-N 1 2 336.439 3.620 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082637 1037860074 /nfs/dbraw/zinc/86/00/74/1037860074.db2.gz IHLAAXJGHMRNHH-UHFFFAOYSA-N 1 2 336.439 3.620 20 0 EHADLO CC(C)CC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000760945820 1037874176 /nfs/dbraw/zinc/87/41/76/1037874176.db2.gz OAUDDKFCWNORND-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO c1ccc(NC[C@H]2CCC3(CCCCC3)O2)c(C[NH+]2CCOCC2)c1 ZINC000187933331 1037875231 /nfs/dbraw/zinc/87/52/31/1037875231.db2.gz AYAVTWRJWATJMJ-LJQANCHMSA-N 1 2 344.499 3.813 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119482742 1037901135 /nfs/dbraw/zinc/90/11/35/1037901135.db2.gz LTWDUPPXAKWDSI-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO CC(C)[N@H+](Cc1c(F)ccc(Br)c1F)[C@H]1CCOC1 ZINC000463231111 1037906970 /nfs/dbraw/zinc/90/69/70/1037906970.db2.gz VOVPNZSMVPXIHU-JTQLQIEISA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)[N@@H+](Cc1c(F)ccc(Br)c1F)[C@H]1CCOC1 ZINC000463231111 1037906983 /nfs/dbraw/zinc/90/69/83/1037906983.db2.gz VOVPNZSMVPXIHU-JTQLQIEISA-N 1 2 334.204 3.727 20 0 EHADLO CCCc1csc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)n1 ZINC000494200053 1037910015 /nfs/dbraw/zinc/91/00/15/1037910015.db2.gz APEFFSDSXBBPQC-OAHLLOKOSA-N 1 2 326.412 3.851 20 0 EHADLO CCN(CC)c1ncc(CNc2[nH+]c3cc(F)ccc3n2CC)s1 ZINC000463249508 1037936169 /nfs/dbraw/zinc/93/61/69/1037936169.db2.gz FPYOQUSIVHUUPJ-UHFFFAOYSA-N 1 2 347.463 3.532 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038716982 1037962789 /nfs/dbraw/zinc/96/27/89/1037962789.db2.gz OXJBITMIMUIPFH-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000540461131 1037963053 /nfs/dbraw/zinc/96/30/53/1037963053.db2.gz WLFOSSXBIGPKMN-QWHCGFSZSA-N 1 2 348.393 3.501 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)cc1Cl ZINC000092972825 1037977801 /nfs/dbraw/zinc/97/78/01/1037977801.db2.gz DFDKJJBTKFFMFZ-QGZVFWFLSA-N 1 2 345.805 3.929 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)cc1Cl ZINC000092972825 1037977821 /nfs/dbraw/zinc/97/78/21/1037977821.db2.gz DFDKJJBTKFFMFZ-QGZVFWFLSA-N 1 2 345.805 3.929 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)NC1CCCCC1 ZINC000540475647 1037988010 /nfs/dbraw/zinc/98/80/10/1037988010.db2.gz SABDRXKDFKUBKK-VXGBXAGGSA-N 1 2 326.843 3.967 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C(F)(F)F)O1 ZINC000929761302 1037989058 /nfs/dbraw/zinc/98/90/58/1037989058.db2.gz PGRRJKCSQFTCRD-AHLTXXRQSA-N 1 2 335.316 3.687 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C(F)(F)F)O1 ZINC000929761302 1037989069 /nfs/dbraw/zinc/98/90/69/1037989069.db2.gz PGRRJKCSQFTCRD-AHLTXXRQSA-N 1 2 335.316 3.687 20 0 EHADLO C/C=C(/C=C/C(=O)Nc1ccccc1OCCn1cc[nH+]c1)CC ZINC000492133016 1038019346 /nfs/dbraw/zinc/01/93/46/1038019346.db2.gz IAKIFDCTHMSOJR-GSSWZPOWSA-N 1 2 325.412 3.813 20 0 EHADLO CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162308626 1038022091 /nfs/dbraw/zinc/02/20/91/1038022091.db2.gz XUFFIOOWUGBOQH-QGZVFWFLSA-N 1 2 341.459 3.856 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000492146566 1038035625 /nfs/dbraw/zinc/03/56/25/1038035625.db2.gz TUIFRLFCOUGFHV-HVMMPBATSA-N 1 2 329.831 3.659 20 0 EHADLO C[C@H](c1cnccn1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000184418168 1038037732 /nfs/dbraw/zinc/03/77/32/1038037732.db2.gz BYABLFSGWUFAPT-HUUCEWRRSA-N 1 2 330.863 3.570 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000471023805 1038060876 /nfs/dbraw/zinc/06/08/76/1038060876.db2.gz WPEBNXXAUBJILH-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000471023805 1038060892 /nfs/dbraw/zinc/06/08/92/1038060892.db2.gz WPEBNXXAUBJILH-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO COc1cc(OC)c(C[N@@H+]2CCc3sccc3[C@@H]2C)c(OC)c1 ZINC000506744575 1038067710 /nfs/dbraw/zinc/06/77/10/1038067710.db2.gz RMJUUFNFCXLEJB-LBPRGKRZSA-N 1 2 333.453 3.893 20 0 EHADLO COc1cc(OC)c(C[N@H+]2CCc3sccc3[C@@H]2C)c(OC)c1 ZINC000506744575 1038067734 /nfs/dbraw/zinc/06/77/34/1038067734.db2.gz RMJUUFNFCXLEJB-LBPRGKRZSA-N 1 2 333.453 3.893 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000041219318 1038076783 /nfs/dbraw/zinc/07/67/83/1038076783.db2.gz KEGXDVQEWPLRAV-XLIONFOSSA-N 1 2 348.450 3.669 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000124231919 1038157350 /nfs/dbraw/zinc/15/73/50/1038157350.db2.gz CCTJBUJUUWSDCL-SNVBAGLBSA-N 1 2 327.837 3.547 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000124231919 1038157363 /nfs/dbraw/zinc/15/73/63/1038157363.db2.gz CCTJBUJUUWSDCL-SNVBAGLBSA-N 1 2 327.837 3.547 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000124231713 1038157657 /nfs/dbraw/zinc/15/76/57/1038157657.db2.gz CCTJBUJUUWSDCL-JTQLQIEISA-N 1 2 327.837 3.547 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000124231713 1038157664 /nfs/dbraw/zinc/15/76/64/1038157664.db2.gz CCTJBUJUUWSDCL-JTQLQIEISA-N 1 2 327.837 3.547 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000106878199 1038239823 /nfs/dbraw/zinc/23/98/23/1038239823.db2.gz DELYFNQETKMZRF-AAEUAGOBSA-N 1 2 349.475 3.769 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000106878199 1038239827 /nfs/dbraw/zinc/23/98/27/1038239827.db2.gz DELYFNQETKMZRF-AAEUAGOBSA-N 1 2 349.475 3.769 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000042895407 1038264867 /nfs/dbraw/zinc/26/48/67/1038264867.db2.gz KWQVPYPDYLPGLY-SFHVURJKSA-N 1 2 344.434 3.643 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(F)c(F)c1 ZINC000107178503 1038305644 /nfs/dbraw/zinc/30/56/44/1038305644.db2.gz PPBKUUZYMYCTLM-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(OC)cc1 ZINC000107299093 1038328114 /nfs/dbraw/zinc/32/81/14/1038328114.db2.gz SLOJVXJZBILQBH-UHFFFAOYSA-N 1 2 336.439 3.513 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(OC)cc1 ZINC000107299093 1038328126 /nfs/dbraw/zinc/32/81/26/1038328126.db2.gz SLOJVXJZBILQBH-UHFFFAOYSA-N 1 2 336.439 3.513 20 0 EHADLO CCCn1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000125462934 1038329048 /nfs/dbraw/zinc/32/90/48/1038329048.db2.gz VNYTXTXIZSHHSI-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO CCCn1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000125462934 1038329061 /nfs/dbraw/zinc/32/90/61/1038329061.db2.gz VNYTXTXIZSHHSI-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nn1[C@H](C)C1CC1 ZINC000538585850 1038388313 /nfs/dbraw/zinc/38/83/13/1038388313.db2.gz TYWKRQOEMFJOLG-CQSZACIVSA-N 1 2 335.411 3.601 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC([C@H]3CCCCO3)CC2)c(C)[nH+]1 ZINC000667119129 1038441783 /nfs/dbraw/zinc/44/17/83/1038441783.db2.gz JTXNZKQDSHGRKX-QGZVFWFLSA-N 1 2 331.460 3.820 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000378327097 1038455607 /nfs/dbraw/zinc/45/56/07/1038455607.db2.gz QRTPBUYPZLKVPE-UHFFFAOYSA-N 1 2 342.386 3.771 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000378327097 1038455611 /nfs/dbraw/zinc/45/56/11/1038455611.db2.gz QRTPBUYPZLKVPE-UHFFFAOYSA-N 1 2 342.386 3.771 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cncc(Cl)c3Cl)[nH+]c12 ZINC000538691287 1038469330 /nfs/dbraw/zinc/46/93/30/1038469330.db2.gz QPKWFQAVYRNJSH-UHFFFAOYSA-N 1 2 335.194 3.526 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000108147955 1038480408 /nfs/dbraw/zinc/48/04/08/1038480408.db2.gz PZKVLAAYSVRCAL-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO CCCC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC1 ZINC000431861800 1038488044 /nfs/dbraw/zinc/48/80/44/1038488044.db2.gz MDZXKEIVUVGNNY-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000339163322 1038498694 /nfs/dbraw/zinc/49/86/94/1038498694.db2.gz CRZTZXTYOKXLNZ-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO CCCn1cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000538736103 1038501197 /nfs/dbraw/zinc/50/11/97/1038501197.db2.gz ZLJXRHHAWPAXCJ-FXAWDEMLSA-N 1 2 327.472 3.872 20 0 EHADLO CCCn1cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000538736103 1038501204 /nfs/dbraw/zinc/50/12/04/1038501204.db2.gz ZLJXRHHAWPAXCJ-FXAWDEMLSA-N 1 2 327.472 3.872 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2=O)cs1 ZINC000343853688 1038508199 /nfs/dbraw/zinc/50/81/99/1038508199.db2.gz LCQQRPJCNHKBJI-WFASDCNBSA-N 1 2 347.459 3.745 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000538810002 1038546839 /nfs/dbraw/zinc/54/68/39/1038546839.db2.gz QPKWKXFPPQQKNO-GOSISDBHSA-N 1 2 349.434 3.531 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000538810002 1038546855 /nfs/dbraw/zinc/54/68/55/1038546855.db2.gz QPKWKXFPPQQKNO-GOSISDBHSA-N 1 2 349.434 3.531 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956959 1038614579 /nfs/dbraw/zinc/61/45/79/1038614579.db2.gz FJGLAJCDMNHQCZ-STQMWFEESA-N 1 2 339.277 3.959 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956959 1038614583 /nfs/dbraw/zinc/61/45/83/1038614583.db2.gz FJGLAJCDMNHQCZ-STQMWFEESA-N 1 2 339.277 3.959 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000339172668 1038619508 /nfs/dbraw/zinc/61/95/08/1038619508.db2.gz NIBABJHJNFYIPI-UHFFFAOYSA-N 1 2 348.406 3.841 20 0 EHADLO CCC[C@@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000378445535 1038628681 /nfs/dbraw/zinc/62/86/81/1038628681.db2.gz VAUIVGCFZLVJQF-AWEZNQCLSA-N 1 2 338.377 3.696 20 0 EHADLO CCC[C@@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000378445535 1038628684 /nfs/dbraw/zinc/62/86/84/1038628684.db2.gz VAUIVGCFZLVJQF-AWEZNQCLSA-N 1 2 338.377 3.696 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)n1cc[nH+]c1 ZINC001125884552 1038704445 /nfs/dbraw/zinc/70/44/45/1038704445.db2.gz UNVKVYHECRSOQE-CYBMUJFWSA-N 1 2 340.358 3.799 20 0 EHADLO Cc1csc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000363858069 1038705902 /nfs/dbraw/zinc/70/59/02/1038705902.db2.gz SUGOTOAJKVLTSL-AWEZNQCLSA-N 1 2 344.415 3.978 20 0 EHADLO Cc1csc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000363858069 1038705911 /nfs/dbraw/zinc/70/59/11/1038705911.db2.gz SUGOTOAJKVLTSL-AWEZNQCLSA-N 1 2 344.415 3.978 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCCC1CCCCC1 ZINC000431882134 1038725023 /nfs/dbraw/zinc/72/50/23/1038725023.db2.gz JOAQCUKARCHLIF-UHFFFAOYSA-N 1 2 345.487 3.916 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccccn2)c1 ZINC000893254964 1038739498 /nfs/dbraw/zinc/73/94/98/1038739498.db2.gz HQBVAFLSQILXRA-HXUWFJFHSA-N 1 2 332.451 3.880 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000462173024 1038807304 /nfs/dbraw/zinc/80/73/04/1038807304.db2.gz ZQLWHACWNVYTAF-LJQANCHMSA-N 1 2 348.849 3.945 20 0 EHADLO CSc1ccccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035611 1038828280 /nfs/dbraw/zinc/82/82/80/1038828280.db2.gz ACSKZIDGJLIHBR-SHTZXODSSA-N 1 2 341.480 3.957 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000923961213 1038830646 /nfs/dbraw/zinc/83/06/46/1038830646.db2.gz DRUPZFUYHWWNEF-HIFRSBDPSA-N 1 2 345.443 3.861 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000923961213 1038830678 /nfs/dbraw/zinc/83/06/78/1038830678.db2.gz DRUPZFUYHWWNEF-HIFRSBDPSA-N 1 2 345.443 3.861 20 0 EHADLO CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1(CC)CC ZINC000488090697 1038840472 /nfs/dbraw/zinc/84/04/72/1038840472.db2.gz QZJXHJHQTYMHOP-ROUUACIJSA-N 1 2 341.455 3.586 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@](C)(C(F)F)O1 ZINC000668823274 1038851619 /nfs/dbraw/zinc/85/16/19/1038851619.db2.gz IBSRIDWAFLYHSS-BDJLRTHQSA-N 1 2 335.341 3.575 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@](C)(C(F)F)O1 ZINC000668823274 1038851640 /nfs/dbraw/zinc/85/16/40/1038851640.db2.gz IBSRIDWAFLYHSS-BDJLRTHQSA-N 1 2 335.341 3.575 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000580328704 1038862468 /nfs/dbraw/zinc/86/24/68/1038862468.db2.gz AJTQLZQMKVCYPU-QGZVFWFLSA-N 1 2 338.542 3.899 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000580328704 1038862494 /nfs/dbraw/zinc/86/24/94/1038862494.db2.gz AJTQLZQMKVCYPU-QGZVFWFLSA-N 1 2 338.542 3.899 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668827738 1038902488 /nfs/dbraw/zinc/90/24/88/1038902488.db2.gz ZYPZUWOVFDABLG-RXEWJAMOSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668827738 1038902504 /nfs/dbraw/zinc/90/25/04/1038902504.db2.gz ZYPZUWOVFDABLG-RXEWJAMOSA-N 1 2 325.399 3.592 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000554110415 1038914180 /nfs/dbraw/zinc/91/41/80/1038914180.db2.gz KEKXRIGQWDAZNH-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO COc1cc(OC2CC2)ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000479944061 1038921091 /nfs/dbraw/zinc/92/10/91/1038921091.db2.gz XUWPIVPYXQDSRJ-UHFFFAOYSA-N 1 2 349.390 3.879 20 0 EHADLO CC(C)(C)C1=CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488168152 1038929369 /nfs/dbraw/zinc/92/93/69/1038929369.db2.gz KWHAWHPBIURNGT-UHFFFAOYSA-N 1 2 329.419 3.978 20 0 EHADLO CC(C)(C)C1=CC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488168152 1038929381 /nfs/dbraw/zinc/92/93/81/1038929381.db2.gz KWHAWHPBIURNGT-UHFFFAOYSA-N 1 2 329.419 3.978 20 0 EHADLO Fc1cccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000660075543 1038944505 /nfs/dbraw/zinc/94/45/05/1038944505.db2.gz ADEWJMXHLXYPRS-LBPRGKRZSA-N 1 2 325.334 3.530 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000363921065 1038947633 /nfs/dbraw/zinc/94/76/33/1038947633.db2.gz KMJMKGAJYOPAJY-OAHLLOKOSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000363921065 1038947650 /nfs/dbraw/zinc/94/76/50/1038947650.db2.gz KMJMKGAJYOPAJY-OAHLLOKOSA-N 1 2 328.441 3.782 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112865949 1039037025 /nfs/dbraw/zinc/03/70/25/1039037025.db2.gz BIJFWGTYSWHVHJ-GJZGRUSLSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)cc1Br ZINC000678143398 1039039420 /nfs/dbraw/zinc/03/94/20/1039039420.db2.gz ABHMESOCUKSAHW-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000760581373 1039068028 /nfs/dbraw/zinc/06/80/28/1039068028.db2.gz YWVYWWYEGDWZAR-QGZVFWFLSA-N 1 2 340.423 3.758 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Cl)cc1F ZINC000488316985 1039079214 /nfs/dbraw/zinc/07/92/14/1039079214.db2.gz UHFIBNNMZVLQPS-HNNXBMFYSA-N 1 2 346.784 3.823 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000477993823 1039104140 /nfs/dbraw/zinc/10/41/40/1039104140.db2.gz WFFDGABSJWMSNU-HNNXBMFYSA-N 1 2 335.407 3.929 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC(C)C ZINC000432782093 1039161590 /nfs/dbraw/zinc/16/15/90/1039161590.db2.gz RLFKCUYHYNQNGN-ZDUSSCGKSA-N 1 2 346.475 3.749 20 0 EHADLO COCC1(c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)CCCCC1 ZINC000582092888 1039165628 /nfs/dbraw/zinc/16/56/28/1039165628.db2.gz NCAUSBNUBIZOKX-UHFFFAOYSA-N 1 2 338.411 3.771 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]CC(F)(F)c2cccc(OC)n2)C12CCCC2 ZINC000552335237 1039192458 /nfs/dbraw/zinc/19/24/58/1039192458.db2.gz MIPMQJNNITXKAE-CABCVRRESA-N 1 2 340.414 3.509 20 0 EHADLO CC(C)COc1cccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)c1 ZINC000432790444 1039196034 /nfs/dbraw/zinc/19/60/34/1039196034.db2.gz BTTLBBAEDPLUBF-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO CC(C)COc1cccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)c1 ZINC000432790444 1039196042 /nfs/dbraw/zinc/19/60/42/1039196042.db2.gz BTTLBBAEDPLUBF-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2ncnn2CC(F)F)c1 ZINC000488454711 1039201995 /nfs/dbraw/zinc/20/19/95/1039201995.db2.gz ZJZYBUIHAAHMHB-MRXNPFEDSA-N 1 2 334.414 3.969 20 0 EHADLO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2ncnn2CC(F)F)c1 ZINC000488454711 1039202006 /nfs/dbraw/zinc/20/20/06/1039202006.db2.gz ZJZYBUIHAAHMHB-MRXNPFEDSA-N 1 2 334.414 3.969 20 0 EHADLO CC(C)Oc1cc(C[N@H+](Cc2cc(C3CC3)no2)C2CC2)ccn1 ZINC000660125108 1039257469 /nfs/dbraw/zinc/25/74/69/1039257469.db2.gz ZVNNCIKPBYXYQF-UHFFFAOYSA-N 1 2 327.428 3.899 20 0 EHADLO CC(C)Oc1cc(C[N@@H+](Cc2cc(C3CC3)no2)C2CC2)ccn1 ZINC000660125108 1039257483 /nfs/dbraw/zinc/25/74/83/1039257483.db2.gz ZVNNCIKPBYXYQF-UHFFFAOYSA-N 1 2 327.428 3.899 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000488557535 1039274048 /nfs/dbraw/zinc/27/40/48/1039274048.db2.gz FUZXGHPGXUIKBZ-HNAYVOBHSA-N 1 2 342.870 3.692 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000552424339 1039287952 /nfs/dbraw/zinc/28/79/52/1039287952.db2.gz WSVATOOLPHFAQC-VXKWHMMOSA-N 1 2 349.478 3.993 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000552424339 1039287971 /nfs/dbraw/zinc/28/79/71/1039287971.db2.gz WSVATOOLPHFAQC-VXKWHMMOSA-N 1 2 349.478 3.993 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000318848992 1039295017 /nfs/dbraw/zinc/29/50/17/1039295017.db2.gz HWFWJLWCYQQEPN-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000318848992 1039295030 /nfs/dbraw/zinc/29/50/30/1039295030.db2.gz HWFWJLWCYQQEPN-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccc(F)cc1F ZINC000552514805 1039334126 /nfs/dbraw/zinc/33/41/26/1039334126.db2.gz ODAVCXXQAPTYCA-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccc(F)cc1F ZINC000552514805 1039334146 /nfs/dbraw/zinc/33/41/46/1039334146.db2.gz ODAVCXXQAPTYCA-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000512474997 1039352630 /nfs/dbraw/zinc/35/26/30/1039352630.db2.gz OZOVSDDXEFVYSH-MRXNPFEDSA-N 1 2 345.270 3.559 20 0 EHADLO C[C@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000512474997 1039352645 /nfs/dbraw/zinc/35/26/45/1039352645.db2.gz OZOVSDDXEFVYSH-MRXNPFEDSA-N 1 2 345.270 3.559 20 0 EHADLO Cc1nc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000010093104 1039376729 /nfs/dbraw/zinc/37/67/29/1039376729.db2.gz CBZWFRGEJKCNQK-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO COc1cccc2c(NCC(=O)Nc3ccc(F)c(F)c3)cc[nH+]c12 ZINC000780523666 1039381080 /nfs/dbraw/zinc/38/10/80/1039381080.db2.gz VDTNPEJRTZJWPL-UHFFFAOYSA-N 1 2 343.333 3.572 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692883 1039413421 /nfs/dbraw/zinc/41/34/21/1039413421.db2.gz MPGMQSGURBGZLW-IAGOWNOFSA-N 1 2 336.426 3.797 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692883 1039413433 /nfs/dbraw/zinc/41/34/33/1039413433.db2.gz MPGMQSGURBGZLW-IAGOWNOFSA-N 1 2 336.426 3.797 20 0 EHADLO Cc1cc2cc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)oc2cc1C ZINC000485710137 1039439921 /nfs/dbraw/zinc/43/99/21/1039439921.db2.gz MBLJUAOMHUIBCW-LJQANCHMSA-N 1 2 329.440 3.677 20 0 EHADLO Cc1cc2cc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)oc2cc1C ZINC000485710137 1039439937 /nfs/dbraw/zinc/43/99/37/1039439937.db2.gz MBLJUAOMHUIBCW-LJQANCHMSA-N 1 2 329.440 3.677 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccc(C)o2)s1)Cc1cccnc1 ZINC000349004958 1039452798 /nfs/dbraw/zinc/45/27/98/1039452798.db2.gz KFGWRDWHYZXSAN-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)Cc1cccnc1 ZINC000349004958 1039452809 /nfs/dbraw/zinc/45/28/09/1039452809.db2.gz KFGWRDWHYZXSAN-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000478465514 1039473784 /nfs/dbraw/zinc/47/37/84/1039473784.db2.gz CPHWBGPXYYIQKN-CYBMUJFWSA-N 1 2 349.425 3.908 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1cccc(Cl)c1 ZINC000488927816 1039477323 /nfs/dbraw/zinc/47/73/23/1039477323.db2.gz YNGYQFIWDLMEHV-OAHLLOKOSA-N 1 2 346.793 3.597 20 0 EHADLO FC1(c2ccccc2)CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000432838388 1039508953 /nfs/dbraw/zinc/50/89/53/1039508953.db2.gz DSUVXLVTRFFZDN-UHFFFAOYSA-N 1 2 326.419 3.542 20 0 EHADLO FC1(c2ccccc2)CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000432838388 1039508966 /nfs/dbraw/zinc/50/89/66/1039508966.db2.gz DSUVXLVTRFFZDN-UHFFFAOYSA-N 1 2 326.419 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nsc3ccccc32)c1C ZINC000906454375 1039576095 /nfs/dbraw/zinc/57/60/95/1039576095.db2.gz OSHPQXGSRIBSDX-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587767 1039643944 /nfs/dbraw/zinc/64/39/44/1039643944.db2.gz NWRJLYVWGYQKIT-XYPHTWIQSA-N 1 2 331.460 3.517 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587766 1039643996 /nfs/dbraw/zinc/64/39/96/1039643996.db2.gz NWRJLYVWGYQKIT-KBRIMQKVSA-N 1 2 331.460 3.517 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000489134733 1039661655 /nfs/dbraw/zinc/66/16/55/1039661655.db2.gz YBGZPSQQBLMGCP-LCLWPZTBSA-N 1 2 349.478 3.559 20 0 EHADLO CC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)n1cc[nH+]c1 ZINC000898902965 1039681657 /nfs/dbraw/zinc/68/16/57/1039681657.db2.gz XQWXRAKHTNGCCL-OALUTQOASA-N 1 2 333.435 3.691 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000480546864 1039686634 /nfs/dbraw/zinc/68/66/34/1039686634.db2.gz CKHIPLXGPJDCBY-POHZPAGDSA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000480546864 1039686638 /nfs/dbraw/zinc/68/66/38/1039686638.db2.gz CKHIPLXGPJDCBY-POHZPAGDSA-N 1 2 342.405 3.792 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@H](C)n4ncnc43)cc2)cs1 ZINC000924808448 1039698614 /nfs/dbraw/zinc/69/86/14/1039698614.db2.gz CGIXAWYXUPVOAI-XHDPSFHLSA-N 1 2 325.441 3.506 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001307417796 1039726311 /nfs/dbraw/zinc/72/63/11/1039726311.db2.gz OODCZIVYHXLPEE-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001307417796 1039726327 /nfs/dbraw/zinc/72/63/27/1039726327.db2.gz OODCZIVYHXLPEE-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Fc1ccc2c(c1F)C[N@@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000667707100 1039754417 /nfs/dbraw/zinc/75/44/17/1039754417.db2.gz PYOJFPSWEFCOSF-KRWDZBQOSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1ccc2c(c1F)C[N@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000667707100 1039754435 /nfs/dbraw/zinc/75/44/35/1039754435.db2.gz PYOJFPSWEFCOSF-KRWDZBQOSA-N 1 2 345.389 3.691 20 0 EHADLO Clc1nccc2cc(C[NH+]3CCN(c4ccccn4)CC3)sc21 ZINC000893872827 1039781002 /nfs/dbraw/zinc/78/10/02/1039781002.db2.gz VNANAYQNPZVCEK-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c(C)[nH+]1 ZINC000906855531 1039792271 /nfs/dbraw/zinc/79/22/71/1039792271.db2.gz KVBSUJQBAJQRNJ-CQSZACIVSA-N 1 2 342.443 3.929 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001143545208 1039863472 /nfs/dbraw/zinc/86/34/72/1039863472.db2.gz SGPUOHYLXVLXOX-JTQLQIEISA-N 1 2 339.329 3.754 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662213 1039878914 /nfs/dbraw/zinc/87/89/14/1039878914.db2.gz JLKNSMWIMKILEY-VLIAUNLRSA-N 1 2 338.430 3.957 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000893968216 1039897973 /nfs/dbraw/zinc/89/79/73/1039897973.db2.gz FUUOLPSNGNNGMJ-UHFFFAOYSA-N 1 2 327.472 3.757 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000554883912 1039905857 /nfs/dbraw/zinc/90/58/57/1039905857.db2.gz GHROQHSPVVLTFD-QGZVFWFLSA-N 1 2 339.357 3.717 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000554883912 1039905869 /nfs/dbraw/zinc/90/58/69/1039905869.db2.gz GHROQHSPVVLTFD-QGZVFWFLSA-N 1 2 339.357 3.717 20 0 EHADLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1OC ZINC000893977651 1039916358 /nfs/dbraw/zinc/91/63/58/1039916358.db2.gz KAWMWGHBYQIDSV-INIZCTEOSA-N 1 2 333.453 3.647 20 0 EHADLO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1OC ZINC000893977651 1039916374 /nfs/dbraw/zinc/91/63/74/1039916374.db2.gz KAWMWGHBYQIDSV-INIZCTEOSA-N 1 2 333.453 3.647 20 0 EHADLO CC(C)(CNc1cc(N2CCCC2)nc[nH+]1)Oc1cc(F)cc(F)c1 ZINC000553267825 1039920861 /nfs/dbraw/zinc/92/08/61/1039920861.db2.gz LTOODPZXMASXRV-UHFFFAOYSA-N 1 2 348.397 3.625 20 0 EHADLO CC(C)(CNc1cc(N2CCCC2)[nH+]cn1)Oc1cc(F)cc(F)c1 ZINC000553267825 1039920875 /nfs/dbraw/zinc/92/08/75/1039920875.db2.gz LTOODPZXMASXRV-UHFFFAOYSA-N 1 2 348.397 3.625 20 0 EHADLO COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000907209840 1039957406 /nfs/dbraw/zinc/95/74/06/1039957406.db2.gz HPBHSDZXIBMDBW-DNVCBOLYSA-N 1 2 342.439 3.521 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000894018362 1039963362 /nfs/dbraw/zinc/96/33/62/1039963362.db2.gz CZMSYFOHAIGVDK-LJQANCHMSA-N 1 2 331.435 3.618 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(COc3ccccc3)c2)CC[S@@]1=O ZINC000894036520 1039988782 /nfs/dbraw/zinc/98/87/82/1039988782.db2.gz IOHHFIGHXBDSAH-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(COc3ccccc3)c2)CC[S@@]1=O ZINC000894036520 1039988794 /nfs/dbraw/zinc/98/87/94/1039988794.db2.gz IOHHFIGHXBDSAH-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012649 1040058021 /nfs/dbraw/zinc/05/80/21/1040058021.db2.gz KHOGGKNUUZVDNG-OALUTQOASA-N 1 2 333.378 3.726 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012649 1040058034 /nfs/dbraw/zinc/05/80/34/1040058034.db2.gz KHOGGKNUUZVDNG-OALUTQOASA-N 1 2 333.378 3.726 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000899125415 1040061385 /nfs/dbraw/zinc/06/13/85/1040061385.db2.gz PXNKRUJWXHNKIH-HNNXBMFYSA-N 1 2 347.409 3.611 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(-c3cccc(C)c3)cn2)c[nH+]1 ZINC000899127902 1040065729 /nfs/dbraw/zinc/06/57/29/1040065729.db2.gz KJBGYKRJLXKLGC-UHFFFAOYSA-N 1 2 334.423 3.936 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1sc(C)cc1C ZINC000907740989 1040141251 /nfs/dbraw/zinc/14/12/51/1040141251.db2.gz YQPQDFQCPBWEED-UHFFFAOYSA-N 1 2 333.501 3.605 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000667476102 1040186841 /nfs/dbraw/zinc/18/68/41/1040186841.db2.gz MFVVOPCTWCFCOX-NSHDSACASA-N 1 2 337.183 3.927 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000667476102 1040186854 /nfs/dbraw/zinc/18/68/54/1040186854.db2.gz MFVVOPCTWCFCOX-NSHDSACASA-N 1 2 337.183 3.927 20 0 EHADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)c1ccccc1OC ZINC000667473948 1040168451 /nfs/dbraw/zinc/16/84/51/1040168451.db2.gz ZSDNZLIPWJDVQF-DJIMGWMZSA-N 1 2 341.455 3.532 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)F ZINC000907814870 1040180327 /nfs/dbraw/zinc/18/03/27/1040180327.db2.gz IAJXPYSQIUDKFQ-PWSUYJOCSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)F ZINC000907814870 1040180335 /nfs/dbraw/zinc/18/03/35/1040180335.db2.gz IAJXPYSQIUDKFQ-PWSUYJOCSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccco1 ZINC000907816707 1040183180 /nfs/dbraw/zinc/18/31/80/1040183180.db2.gz XFURFNLGVSJALC-ZFWWWQNUSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccco1 ZINC000907816707 1040183187 /nfs/dbraw/zinc/18/31/87/1040183187.db2.gz XFURFNLGVSJALC-ZFWWWQNUSA-N 1 2 341.455 3.828 20 0 EHADLO CC1(C)CC(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907816553 1040184490 /nfs/dbraw/zinc/18/44/90/1040184490.db2.gz VBUNSSVVVBQECP-HNNXBMFYSA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907816553 1040184499 /nfs/dbraw/zinc/18/44/99/1040184499.db2.gz VBUNSSVVVBQECP-HNNXBMFYSA-N 1 2 329.488 3.867 20 0 EHADLO CC1CCC([N@H+](Cc2nn(C)cc2Br)C2CC2)CC1 ZINC000432925006 1040189210 /nfs/dbraw/zinc/18/92/10/1040189210.db2.gz PSXWBJTVYHNYTF-UHFFFAOYSA-N 1 2 326.282 3.726 20 0 EHADLO CC1CCC([N@@H+](Cc2nn(C)cc2Br)C2CC2)CC1 ZINC000432925006 1040189225 /nfs/dbraw/zinc/18/92/25/1040189225.db2.gz PSXWBJTVYHNYTF-UHFFFAOYSA-N 1 2 326.282 3.726 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808745 1040198318 /nfs/dbraw/zinc/19/83/18/1040198318.db2.gz GKZFRRWQNKIBAE-ULQDDVLXSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808745 1040198326 /nfs/dbraw/zinc/19/83/26/1040198326.db2.gz GKZFRRWQNKIBAE-ULQDDVLXSA-N 1 2 341.499 3.867 20 0 EHADLO CCCOc1cccc2c(N[C@H](C)C(=O)NC(C)(C)C)cc[nH+]c12 ZINC000486510287 1040201015 /nfs/dbraw/zinc/20/10/15/1040201015.db2.gz WOUKBQLFISJDLR-CYBMUJFWSA-N 1 2 329.444 3.739 20 0 EHADLO C/C(Cl)=C\C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000907940343 1040236945 /nfs/dbraw/zinc/23/69/45/1040236945.db2.gz RITZHEQVYLORNL-UKTHLTGXSA-N 1 2 338.238 3.708 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000555160424 1040245149 /nfs/dbraw/zinc/24/51/49/1040245149.db2.gz DINVJXJYXNEIHI-IRXDYDNUSA-N 1 2 340.471 3.652 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(CSC2CCOCC2)c1 ZINC000417827760 1040251097 /nfs/dbraw/zinc/25/10/97/1040251097.db2.gz GCTGIJDCNSLVHY-UHFFFAOYSA-N 1 2 331.485 3.927 20 0 EHADLO C[C@@](O)(C1CC[NH+](Cc2nsc3ccccc32)CC1)C(F)(F)F ZINC000660288904 1040255559 /nfs/dbraw/zinc/25/55/59/1040255559.db2.gz FVTKIQJOQCEJBV-OAHLLOKOSA-N 1 2 344.402 3.822 20 0 EHADLO CCC[N@H+](Cc1cccnc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490028028 1040295691 /nfs/dbraw/zinc/29/56/91/1040295691.db2.gz CJUUTOVYTXJZAR-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cccnc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490028028 1040295710 /nfs/dbraw/zinc/29/57/10/1040295710.db2.gz CJUUTOVYTXJZAR-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO CCOC[C@@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)C1 ZINC000479491061 1040299838 /nfs/dbraw/zinc/29/98/38/1040299838.db2.gz UMLFZNYGRQTVNH-OAHLLOKOSA-N 1 2 342.439 3.583 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000490032765 1040302573 /nfs/dbraw/zinc/30/25/73/1040302573.db2.gz BXFGFNYEHFUDKY-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000490032765 1040302588 /nfs/dbraw/zinc/30/25/88/1040302588.db2.gz BXFGFNYEHFUDKY-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)cc2c1 ZINC000614173774 1040353192 /nfs/dbraw/zinc/35/31/92/1040353192.db2.gz KRTFGLSCBRTDSH-UHFFFAOYSA-N 1 2 348.450 3.792 20 0 EHADLO CCn1c[nH+]cc1CNc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000417964697 1040384570 /nfs/dbraw/zinc/38/45/70/1040384570.db2.gz GMVPRIZIRIZDPS-UHFFFAOYSA-N 1 2 335.333 3.720 20 0 EHADLO Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H](C)Cn3cc[nH+]c3)c2)o1 ZINC000432993949 1040400169 /nfs/dbraw/zinc/40/01/69/1040400169.db2.gz MRBYXWKPUREOOS-CQSZACIVSA-N 1 2 338.411 3.970 20 0 EHADLO CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccccc1 ZINC000486803938 1040471071 /nfs/dbraw/zinc/47/10/71/1040471071.db2.gz PYLUQVNPVIQQLS-UHFFFAOYSA-N 1 2 325.387 3.822 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccccc1 ZINC000486803938 1040471083 /nfs/dbraw/zinc/47/10/83/1040471083.db2.gz PYLUQVNPVIQQLS-UHFFFAOYSA-N 1 2 325.387 3.822 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030482 1040502766 /nfs/dbraw/zinc/50/27/66/1040502766.db2.gz WFBWILSLVIXRSA-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030482 1040502783 /nfs/dbraw/zinc/50/27/83/1040502783.db2.gz WFBWILSLVIXRSA-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000433039046 1040523777 /nfs/dbraw/zinc/52/37/77/1040523777.db2.gz MHMZSBPXWVFREG-APWZRJJASA-N 1 2 332.488 3.752 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000473468099 1040524791 /nfs/dbraw/zinc/52/47/91/1040524791.db2.gz CDBZVJIXXUKMRI-RBSFLKMASA-N 1 2 344.434 3.587 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000109282197 1040535032 /nfs/dbraw/zinc/53/50/32/1040535032.db2.gz ZZEHBGAYNPUCKJ-MRXNPFEDSA-N 1 2 343.496 3.879 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000667848095 1040550099 /nfs/dbraw/zinc/55/00/99/1040550099.db2.gz PTWFYXNGXGXMAA-MOPGFXCFSA-N 1 2 325.456 3.848 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000418083638 1040551953 /nfs/dbraw/zinc/55/19/53/1040551953.db2.gz SPULLYYYOUUYNH-UHFFFAOYSA-N 1 2 335.333 3.720 20 0 EHADLO Cc1ccc2sc(CNC(=O)c3c(C)cc(C)[nH+]c3C)nc2c1 ZINC000913071423 1040559017 /nfs/dbraw/zinc/55/90/17/1040559017.db2.gz PRDHTODQBKWWID-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000486934028 1040568177 /nfs/dbraw/zinc/56/81/77/1040568177.db2.gz YASCWZHABHNOPO-SJLPKXTDSA-N 1 2 332.492 3.806 20 0 EHADLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000500132294 1040573875 /nfs/dbraw/zinc/57/38/75/1040573875.db2.gz FNIDLEXMAFETSU-IBGZPJMESA-N 1 2 331.419 3.634 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccsc1)c1ccccc1 ZINC000667854029 1040575754 /nfs/dbraw/zinc/57/57/54/1040575754.db2.gz XORWJEYEKUREHY-INIZCTEOSA-N 1 2 337.448 3.740 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000490545532 1040588493 /nfs/dbraw/zinc/58/84/93/1040588493.db2.gz OCPNXUUPPPZRDU-HOJAQTOUSA-N 1 2 337.467 3.549 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000490567643 1040613879 /nfs/dbraw/zinc/61/38/79/1040613879.db2.gz MKGBWGIEDFYJBN-JXFKEZNVSA-N 1 2 341.451 3.980 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000490567643 1040613883 /nfs/dbraw/zinc/61/38/83/1040613883.db2.gz MKGBWGIEDFYJBN-JXFKEZNVSA-N 1 2 341.451 3.980 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433065054 1040617074 /nfs/dbraw/zinc/61/70/74/1040617074.db2.gz ZOOLRUYPWZYVBQ-SFHVURJKSA-N 1 2 336.435 3.707 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433065054 1040617082 /nfs/dbraw/zinc/61/70/82/1040617082.db2.gz ZOOLRUYPWZYVBQ-SFHVURJKSA-N 1 2 336.435 3.707 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc[nH+]c2N)n1)CC[C@@H](C)C3 ZINC000663963203 1040619680 /nfs/dbraw/zinc/61/96/80/1040619680.db2.gz UBDQNJGRPNUHOK-SNVBAGLBSA-N 1 2 339.468 3.714 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1OC ZINC000668725407 1040638313 /nfs/dbraw/zinc/63/83/13/1040638313.db2.gz WJGPWYOAMMUOCS-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1OC ZINC000668725407 1040638323 /nfs/dbraw/zinc/63/83/23/1040638323.db2.gz WJGPWYOAMMUOCS-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)n1 ZINC000600116951 1040663252 /nfs/dbraw/zinc/66/32/52/1040663252.db2.gz PIBJLKIEDXATNL-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)n1 ZINC000600116951 1040663257 /nfs/dbraw/zinc/66/32/57/1040663257.db2.gz PIBJLKIEDXATNL-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO Cc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)no1 ZINC000555525500 1040727609 /nfs/dbraw/zinc/72/76/09/1040727609.db2.gz PIJUAXFMQNQJTO-UHFFFAOYSA-N 1 2 336.317 3.682 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000600164788 1040773898 /nfs/dbraw/zinc/77/38/98/1040773898.db2.gz NEZUEHGWPMXVRF-MRXNPFEDSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000600164788 1040773916 /nfs/dbraw/zinc/77/39/16/1040773916.db2.gz NEZUEHGWPMXVRF-MRXNPFEDSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000364327911 1040808534 /nfs/dbraw/zinc/80/85/34/1040808534.db2.gz BMHMOCJPXNJYSV-CYBMUJFWSA-N 1 2 346.500 3.800 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000668762423 1040823622 /nfs/dbraw/zinc/82/36/22/1040823622.db2.gz JFKAKOOYQBRHBR-QZTJIDSGSA-N 1 2 339.483 3.689 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cccc(Cl)c2)c1 ZINC000509786794 1040833835 /nfs/dbraw/zinc/83/38/35/1040833835.db2.gz BHVRBQGCBPIQAY-UHFFFAOYSA-N 1 2 339.826 3.807 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000491007034 1040855366 /nfs/dbraw/zinc/85/53/66/1040855366.db2.gz XVJPKAGFBMBWQR-CQSZACIVSA-N 1 2 335.411 3.601 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccco3)s2)cs1 ZINC000487330014 1040936870 /nfs/dbraw/zinc/93/68/70/1040936870.db2.gz DCNLORBNVKOTCP-SNVBAGLBSA-N 1 2 335.454 3.857 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](C)c2ccc(Br)cc2)cc[nH+]1 ZINC000500299145 1040974271 /nfs/dbraw/zinc/97/42/71/1040974271.db2.gz QMSUXRGAXIRIMS-LLVKDONJSA-N 1 2 333.229 3.707 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425288534 1040975483 /nfs/dbraw/zinc/97/54/83/1040975483.db2.gz XZUNUMYUHDGDLS-MSOLQXFVSA-N 1 2 325.456 3.826 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000487594881 1040978972 /nfs/dbraw/zinc/97/89/72/1040978972.db2.gz SWHHDDJBOBEXDX-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000487594881 1040978992 /nfs/dbraw/zinc/97/89/92/1040978992.db2.gz SWHHDDJBOBEXDX-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO Cc1cc(CNc2cc([C@@H]3CCCOC3)nn2C)c2c([nH+]1)CCCC2 ZINC000894125125 1040993164 /nfs/dbraw/zinc/99/31/64/1040993164.db2.gz CTFBNMFJYIZELL-OAHLLOKOSA-N 1 2 340.471 3.508 20 0 EHADLO CCN(Cc1ccc(Cl)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586750147 1040996150 /nfs/dbraw/zinc/99/61/50/1040996150.db2.gz RVDORJCRKHMWKD-UHFFFAOYSA-N 1 2 341.842 3.887 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3(c4ccc(F)cc4)CCC3)[nH+]c12 ZINC000586757421 1041001328 /nfs/dbraw/zinc/00/13/28/1041001328.db2.gz QPJUWQVLWKESGI-UHFFFAOYSA-N 1 2 337.398 3.520 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000668788898 1041037355 /nfs/dbraw/zinc/03/73/55/1041037355.db2.gz MLMVBFKSPCGCFT-BDJLRTHQSA-N 1 2 338.220 3.800 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278392 1041057984 /nfs/dbraw/zinc/05/79/84/1041057984.db2.gz HJQRPAVHJNDRBQ-DNVCBOLYSA-N 1 2 344.455 3.662 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844495 1041101663 /nfs/dbraw/zinc/10/16/63/1041101663.db2.gz NFUMCBWCAYVBDL-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844495 1041101681 /nfs/dbraw/zinc/10/16/81/1041101681.db2.gz NFUMCBWCAYVBDL-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000055033832 1041102370 /nfs/dbraw/zinc/10/23/70/1041102370.db2.gz QBPSYYJOJKZQIW-MRXNPFEDSA-N 1 2 346.475 3.632 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000055033832 1041102382 /nfs/dbraw/zinc/10/23/82/1041102382.db2.gz QBPSYYJOJKZQIW-MRXNPFEDSA-N 1 2 346.475 3.632 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660406693 1041164651 /nfs/dbraw/zinc/16/46/51/1041164651.db2.gz HDUIDWUERGJWSC-VIFPVBQESA-N 1 2 335.698 3.682 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660406693 1041164655 /nfs/dbraw/zinc/16/46/55/1041164655.db2.gz HDUIDWUERGJWSC-VIFPVBQESA-N 1 2 335.698 3.682 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)n2)c(F)c1 ZINC000487911509 1041175417 /nfs/dbraw/zinc/17/54/17/1041175417.db2.gz LPPSNPWWHNZQFE-KRWDZBQOSA-N 1 2 347.409 3.542 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](OCC4CC4)C3)n2)c(F)c1 ZINC000487911509 1041175424 /nfs/dbraw/zinc/17/54/24/1041175424.db2.gz LPPSNPWWHNZQFE-KRWDZBQOSA-N 1 2 347.409 3.542 20 0 EHADLO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000759869027 1041251512 /nfs/dbraw/zinc/25/15/12/1041251512.db2.gz QOLURTPXIOCXSD-ZANVPECISA-N 1 2 341.814 3.544 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)n1cc[nH+]c1 ZINC000571288217 1041255865 /nfs/dbraw/zinc/25/58/65/1041255865.db2.gz SXVRJCAJMVAZAR-CVEARBPZSA-N 1 2 334.423 3.774 20 0 EHADLO C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555870532 1041258991 /nfs/dbraw/zinc/25/89/91/1041258991.db2.gz AYTJJOANZLAMIH-HUUCEWRRSA-N 1 2 336.439 3.864 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000571428273 1041292724 /nfs/dbraw/zinc/29/27/24/1041292724.db2.gz PSVXRURCKSADDP-QAPCUYQASA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000555890538 1041296800 /nfs/dbraw/zinc/29/68/00/1041296800.db2.gz LVEAECCSRNCURK-UHFFFAOYSA-N 1 2 345.402 3.868 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433359358 1041334239 /nfs/dbraw/zinc/33/42/39/1041334239.db2.gz HSNMHVKZSFDQGO-UHFFFAOYSA-N 1 2 327.472 3.615 20 0 EHADLO Cc1cccnc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000364457338 1041343073 /nfs/dbraw/zinc/34/30/73/1041343073.db2.gz WGCCZWMQRGPRBA-MRXNPFEDSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccnc1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000364457338 1041343080 /nfs/dbraw/zinc/34/30/80/1041343080.db2.gz WGCCZWMQRGPRBA-MRXNPFEDSA-N 1 2 338.386 3.916 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660442090 1041378760 /nfs/dbraw/zinc/37/87/60/1041378760.db2.gz NRSJPXIISPHCTI-PWSUYJOCSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660442090 1041378765 /nfs/dbraw/zinc/37/87/65/1041378765.db2.gz NRSJPXIISPHCTI-PWSUYJOCSA-N 1 2 347.684 3.623 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2ccccc2Oc2cccnc2)CCCC1 ZINC000432013082 1041466788 /nfs/dbraw/zinc/46/67/88/1041466788.db2.gz PNRKTZXQVXFOHP-UHFFFAOYSA-N 1 2 340.423 3.792 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2ccccc2Oc2cccnc2)CCCC1 ZINC000432013082 1041466796 /nfs/dbraw/zinc/46/67/96/1041466796.db2.gz PNRKTZXQVXFOHP-UHFFFAOYSA-N 1 2 340.423 3.792 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000110717642 1041530341 /nfs/dbraw/zinc/53/03/41/1041530341.db2.gz MTKYNIMFJLTLNL-KRWDZBQOSA-N 1 2 343.496 3.961 20 0 EHADLO CCN(CC1CCC1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000432091435 1041580843 /nfs/dbraw/zinc/58/08/43/1041580843.db2.gz OEUJCVJQAWQCFF-MRXNPFEDSA-N 1 2 345.487 3.734 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000660584371 1041705292 /nfs/dbraw/zinc/70/52/92/1041705292.db2.gz NODOASUOGKNWGD-CVEARBPZSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000660584371 1041705300 /nfs/dbraw/zinc/70/53/00/1041705300.db2.gz NODOASUOGKNWGD-CVEARBPZSA-N 1 2 341.373 3.961 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccnc1 ZINC000660638961 1041745475 /nfs/dbraw/zinc/74/54/75/1041745475.db2.gz OJMAWYJKKWUNFB-HNNXBMFYSA-N 1 2 340.254 3.633 20 0 EHADLO Cc1nc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c(C)o1 ZINC000660649009 1041755483 /nfs/dbraw/zinc/75/54/83/1041755483.db2.gz YHEUNCIJRKPRGN-UHFFFAOYSA-N 1 2 326.318 3.969 20 0 EHADLO O=C(NCCn1cc[nH+]c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000043947782 1041793230 /nfs/dbraw/zinc/79/32/30/1041793230.db2.gz FBTCCOONVAOKMP-GOSISDBHSA-N 1 2 337.448 3.533 20 0 EHADLO CCCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2)c(C)c1 ZINC000056746572 1041793744 /nfs/dbraw/zinc/79/37/44/1041793744.db2.gz DAGSTGZAYYZYAA-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749627 1041804700 /nfs/dbraw/zinc/80/47/00/1041804700.db2.gz MFVBXZRJUGMUCF-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749627 1041804704 /nfs/dbraw/zinc/80/47/04/1041804704.db2.gz MFVBXZRJUGMUCF-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO COc1cc(OC)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1F ZINC000651623898 1041808999 /nfs/dbraw/zinc/80/89/99/1041808999.db2.gz VIGJRWBOXDRHTN-INIZCTEOSA-N 1 2 349.402 3.617 20 0 EHADLO COc1cc(OC)c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1F ZINC000651623898 1041809002 /nfs/dbraw/zinc/80/90/02/1041809002.db2.gz VIGJRWBOXDRHTN-INIZCTEOSA-N 1 2 349.402 3.617 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651691227 1041925671 /nfs/dbraw/zinc/92/56/71/1041925671.db2.gz HIOPXUXVXCQFFZ-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO CC(C)c1noc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741690 1041982838 /nfs/dbraw/zinc/98/28/38/1041982838.db2.gz MWYWRCSUFYNRSK-CQSZACIVSA-N 1 2 348.878 3.725 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)c1nncn1C ZINC000651804703 1042057321 /nfs/dbraw/zinc/05/73/21/1042057321.db2.gz QAKLPMYHQHVORH-HNAYVOBHSA-N 1 2 335.455 3.925 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCC12CCCCC2 ZINC000661437209 1042117119 /nfs/dbraw/zinc/11/71/19/1042117119.db2.gz ZZORLPDPOXNFHW-INIZCTEOSA-N 1 2 326.444 3.637 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000661433814 1042121807 /nfs/dbraw/zinc/12/18/07/1042121807.db2.gz HVMIABYFTUHGQS-INIZCTEOSA-N 1 2 330.476 3.802 20 0 EHADLO C[N@H+](Cc1sccc1Br)Cc1ccc2c(c1)OCO2 ZINC000109092629 1042131190 /nfs/dbraw/zinc/13/11/90/1042131190.db2.gz XGZYXZKMPTWWJT-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO C[N@@H+](Cc1sccc1Br)Cc1ccc2c(c1)OCO2 ZINC000109092629 1042131199 /nfs/dbraw/zinc/13/11/99/1042131199.db2.gz XGZYXZKMPTWWJT-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OC)c1 ZINC000661478825 1042140101 /nfs/dbraw/zinc/14/01/01/1042140101.db2.gz OSHXLTMOMSNIAT-OAHLLOKOSA-N 1 2 334.485 3.927 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513959 1042160283 /nfs/dbraw/zinc/16/02/83/1042160283.db2.gz VFPZRVQSHLTCBR-BEFAXECRSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513959 1042160286 /nfs/dbraw/zinc/16/02/86/1042160286.db2.gz VFPZRVQSHLTCBR-BEFAXECRSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514933 1042161222 /nfs/dbraw/zinc/16/12/22/1042161222.db2.gz VIDIIIYTWSXEJR-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514933 1042161223 /nfs/dbraw/zinc/16/12/23/1042161223.db2.gz VIDIIIYTWSXEJR-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO CC[C@@H](C)CCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000796655427 1042192431 /nfs/dbraw/zinc/19/24/31/1042192431.db2.gz NZIAXBDWZVTROB-MRXNPFEDSA-N 1 2 331.504 3.664 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000046060441 1042216651 /nfs/dbraw/zinc/21/66/51/1042216651.db2.gz FMBYWBNJYQUPDZ-UHFFFAOYSA-N 1 2 339.464 3.863 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000046060441 1042216654 /nfs/dbraw/zinc/21/66/54/1042216654.db2.gz FMBYWBNJYQUPDZ-UHFFFAOYSA-N 1 2 339.464 3.863 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cc(Br)cs1 ZINC000047752954 1042254951 /nfs/dbraw/zinc/25/49/51/1042254951.db2.gz CDMZEHJKRUWJNC-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cc(Br)cs1 ZINC000047752954 1042254953 /nfs/dbraw/zinc/25/49/53/1042254953.db2.gz CDMZEHJKRUWJNC-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO CCCCn1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2F)c1Cl ZINC000236743447 1042268741 /nfs/dbraw/zinc/26/87/41/1042268741.db2.gz CFZKWFOXUFJRIJ-UHFFFAOYSA-N 1 2 334.826 3.946 20 0 EHADLO Cc1ccc2[nH]c(C[NH+]3CCN(c4ncccc4F)CC3)cc2c1C ZINC000473146814 1042333347 /nfs/dbraw/zinc/33/33/47/1042333347.db2.gz UCTIWSFGCVHIDM-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO O=C(CCOCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343882442 1042367448 /nfs/dbraw/zinc/36/74/48/1042367448.db2.gz BAHJMPWRJZBVCQ-UHFFFAOYSA-N 1 2 339.370 3.557 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000661873448 1042379407 /nfs/dbraw/zinc/37/94/07/1042379407.db2.gz FKTYZARLQICSBM-RYUDHWBXSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000661873448 1042379404 /nfs/dbraw/zinc/37/94/04/1042379404.db2.gz FKTYZARLQICSBM-RYUDHWBXSA-N 1 2 345.306 3.687 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000661988308 1042446158 /nfs/dbraw/zinc/44/61/58/1042446158.db2.gz DEIPKXWQJNXLNX-GOSISDBHSA-N 1 2 332.492 3.520 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652423292 1042467859 /nfs/dbraw/zinc/46/78/59/1042467859.db2.gz RCNSOAZQRDYDBA-SFHVURJKSA-N 1 2 341.430 3.573 20 0 EHADLO FC1(F)C[C@H]1OCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662094409 1042514895 /nfs/dbraw/zinc/51/48/95/1042514895.db2.gz BEMWOPMJGIPUOJ-QWHCGFSZSA-N 1 2 332.188 3.620 20 0 EHADLO FC1(F)C[C@H]1OCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662094409 1042514901 /nfs/dbraw/zinc/51/49/01/1042514901.db2.gz BEMWOPMJGIPUOJ-QWHCGFSZSA-N 1 2 332.188 3.620 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(F)cc1F ZINC000662162653 1042555486 /nfs/dbraw/zinc/55/54/86/1042555486.db2.gz GKVCPBVWKZOITD-AWEZNQCLSA-N 1 2 347.283 3.529 20 0 EHADLO C[C@@H]1C[N@H+](CCc2nsc3ccccc23)C[C@H](CC(F)(F)F)O1 ZINC000662240780 1042627058 /nfs/dbraw/zinc/62/70/58/1042627058.db2.gz MMUMBXRDEDLCPH-NEPJUHHUSA-N 1 2 344.402 3.881 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2nsc3ccccc23)C[C@H](CC(F)(F)F)O1 ZINC000662240780 1042627064 /nfs/dbraw/zinc/62/70/64/1042627064.db2.gz MMUMBXRDEDLCPH-NEPJUHHUSA-N 1 2 344.402 3.881 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCOc3ccccc3C2)cn1 ZINC000644832933 1042635519 /nfs/dbraw/zinc/63/55/19/1042635519.db2.gz MPQMGWUORCLUEV-UHFFFAOYSA-N 1 2 347.418 3.547 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCOc3ccccc3C2)cn1 ZINC000644832933 1042635520 /nfs/dbraw/zinc/63/55/20/1042635520.db2.gz MPQMGWUORCLUEV-UHFFFAOYSA-N 1 2 347.418 3.547 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1=CCSC1 ZINC000662268640 1042645377 /nfs/dbraw/zinc/64/53/77/1042645377.db2.gz GABIMVHSEOAIJO-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1=CCSC1 ZINC000662268640 1042645380 /nfs/dbraw/zinc/64/53/80/1042645380.db2.gz GABIMVHSEOAIJO-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cc1nc(Cc2ccccc2)no1 ZINC000051475919 1042718456 /nfs/dbraw/zinc/71/84/56/1042718456.db2.gz UWARCTHFGDFSCC-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cc1nc(Cc2ccccc2)no1 ZINC000051475919 1042718464 /nfs/dbraw/zinc/71/84/64/1042718464.db2.gz UWARCTHFGDFSCC-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO COc1ccc(CNc2ccc([NH+](C)C)cc2C)c(OC)c1OC ZINC000121426544 1042772413 /nfs/dbraw/zinc/77/24/13/1042772413.db2.gz ZJFMFVNCYMEGAS-UHFFFAOYSA-N 1 2 330.428 3.699 20 0 EHADLO CNc1ccc(C(F)(F)F)cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000396966844 1042832125 /nfs/dbraw/zinc/83/21/25/1042832125.db2.gz CFLGQBWNPAUYSX-UHFFFAOYSA-N 1 2 337.345 3.689 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000303184121 1042915429 /nfs/dbraw/zinc/91/54/29/1042915429.db2.gz LEQOTSHNYGTGHN-VQFGERMISA-N 1 2 328.500 3.916 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000026475595 1042931856 /nfs/dbraw/zinc/93/18/56/1042931856.db2.gz ANBIAWMVTUETKV-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000026475595 1042931858 /nfs/dbraw/zinc/93/18/58/1042931858.db2.gz ANBIAWMVTUETKV-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000408279440 1042941945 /nfs/dbraw/zinc/94/19/45/1042941945.db2.gz JGTPSVIBPBMJIN-IKGGRYGDSA-N 1 2 332.492 3.904 20 0 EHADLO CSCc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000343970539 1042979931 /nfs/dbraw/zinc/97/99/31/1042979931.db2.gz USMJFSFONKLOPN-UHFFFAOYSA-N 1 2 328.485 3.942 20 0 EHADLO CSCc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000343970539 1042979936 /nfs/dbraw/zinc/97/99/36/1042979936.db2.gz USMJFSFONKLOPN-UHFFFAOYSA-N 1 2 328.485 3.942 20 0 EHADLO CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000006977860 1043010914 /nfs/dbraw/zinc/01/09/14/1043010914.db2.gz CTCOPNPJLWTZBU-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000006977860 1043010919 /nfs/dbraw/zinc/01/09/19/1043010919.db2.gz CTCOPNPJLWTZBU-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(Cl)c1 ZINC000006975865 1043011185 /nfs/dbraw/zinc/01/11/85/1043011185.db2.gz TWXPRMGYVMPRDH-UHFFFAOYSA-N 1 2 335.835 3.696 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(Cl)c1 ZINC000006975865 1043011190 /nfs/dbraw/zinc/01/11/90/1043011190.db2.gz TWXPRMGYVMPRDH-UHFFFAOYSA-N 1 2 335.835 3.696 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000007017772 1043017295 /nfs/dbraw/zinc/01/72/95/1043017295.db2.gz ZMOVWKVRLPCLGN-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000007017772 1043017301 /nfs/dbraw/zinc/01/73/01/1043017301.db2.gz ZMOVWKVRLPCLGN-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Br)cc1F ZINC000343995632 1043075236 /nfs/dbraw/zinc/07/52/36/1043075236.db2.gz TXZJLDIDOOEKCG-ZJUUUORDSA-N 1 2 326.213 3.734 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000344000132 1043083131 /nfs/dbraw/zinc/08/31/31/1043083131.db2.gz WVZYLXRZRWOAGU-ZDUSSCGKSA-N 1 2 343.349 3.766 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000344000132 1043083143 /nfs/dbraw/zinc/08/31/43/1043083143.db2.gz WVZYLXRZRWOAGU-ZDUSSCGKSA-N 1 2 343.349 3.766 20 0 EHADLO C[C@H](C(=O)N(C)C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344024481 1043116751 /nfs/dbraw/zinc/11/67/51/1043116751.db2.gz IONFBQCCAOWRHC-LLVKDONJSA-N 1 2 329.271 3.650 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000344026989 1043122806 /nfs/dbraw/zinc/12/28/06/1043122806.db2.gz KBLMWDBUZRGWAG-HNNXBMFYSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279032028 1043223119 /nfs/dbraw/zinc/22/31/19/1043223119.db2.gz WUGBNVCYLHZMLB-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000279060893 1043282374 /nfs/dbraw/zinc/28/23/74/1043282374.db2.gz IPKQLRJEEUXBGJ-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000279060893 1043282382 /nfs/dbraw/zinc/28/23/82/1043282382.db2.gz IPKQLRJEEUXBGJ-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCCC(c1ccccc1)c1ccccc1 ZINC000344165987 1043353906 /nfs/dbraw/zinc/35/39/06/1043353906.db2.gz BGXQLPFKXAGOEG-UHFFFAOYSA-N 1 2 333.435 3.681 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1Cl ZINC000344194867 1043406872 /nfs/dbraw/zinc/40/68/72/1043406872.db2.gz ACVQIRVBOQECCK-ZDUSSCGKSA-N 1 2 332.831 3.559 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1Cl ZINC000344194867 1043406879 /nfs/dbraw/zinc/40/68/79/1043406879.db2.gz ACVQIRVBOQECCK-ZDUSSCGKSA-N 1 2 332.831 3.559 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H](c2ccccc2)C1 ZINC000030030142 1043686005 /nfs/dbraw/zinc/68/60/05/1043686005.db2.gz CLNSVZUPGLLESB-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H](c2ccccc2)C1 ZINC000030030142 1043686012 /nfs/dbraw/zinc/68/60/12/1043686012.db2.gz CLNSVZUPGLLESB-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+](CC)CC2CC2)c(=S)o1 ZINC000261479020 1043722210 /nfs/dbraw/zinc/72/22/10/1043722210.db2.gz SZTLMPSWCBVVSA-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+](CC)CC2CC2)c(=S)o1 ZINC000261479020 1043722225 /nfs/dbraw/zinc/72/22/25/1043722225.db2.gz SZTLMPSWCBVVSA-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccsc1C(=O)OC)CCO2 ZINC000893676580 1043808902 /nfs/dbraw/zinc/80/89/02/1043808902.db2.gz NBHYRFRTVZXZBH-OAHLLOKOSA-N 1 2 347.436 3.547 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)o1 ZINC000279374958 1044012870 /nfs/dbraw/zinc/01/28/70/1044012870.db2.gz IILHYBDLYWNELU-UHFFFAOYSA-N 1 2 329.730 3.678 20 0 EHADLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000111900068 1044060260 /nfs/dbraw/zinc/06/02/60/1044060260.db2.gz UHQQEPIZRHANFU-HNAYVOBHSA-N 1 2 338.455 3.506 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc(F)cc(F)c3)n2)c1 ZINC000279519026 1044160783 /nfs/dbraw/zinc/16/07/83/1044160783.db2.gz ODKGPDCFZLSNSB-NEPJUHHUSA-N 1 2 343.381 3.865 20 0 EHADLO CCc1cccc2c(CC(=O)Nc3ccc4[nH+]c(C)cn4c3)c[nH]c21 ZINC000344706435 1044317901 /nfs/dbraw/zinc/31/79/01/1044317901.db2.gz OWKYOQDRUOLVFL-UHFFFAOYSA-N 1 2 332.407 3.868 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccco1)C(C)C ZINC000279672101 1044392261 /nfs/dbraw/zinc/39/22/61/1044392261.db2.gz NJLVEOPACQTDCL-UHFFFAOYSA-N 1 2 347.365 3.653 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cs1 ZINC000279680548 1044403945 /nfs/dbraw/zinc/40/39/45/1044403945.db2.gz IWFXALXUCVQVOO-KRWDZBQOSA-N 1 2 347.459 3.822 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C)c1ccco1 ZINC000344786945 1044417681 /nfs/dbraw/zinc/41/76/81/1044417681.db2.gz HGRLGWQHHCMKGD-KRWDZBQOSA-N 1 2 345.830 3.904 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000279700770 1044428642 /nfs/dbraw/zinc/42/86/42/1044428642.db2.gz RDKFTJGTPPZLAZ-UHFFFAOYSA-N 1 2 343.446 3.506 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000279739712 1044512333 /nfs/dbraw/zinc/51/23/33/1044512333.db2.gz DKEGTOKXGXEINU-KBPBESRZSA-N 1 2 333.863 3.657 20 0 EHADLO COc1c(C)cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1C ZINC000512285431 1044549850 /nfs/dbraw/zinc/54/98/50/1044549850.db2.gz IHXUOGPROQJMBI-UHFFFAOYSA-N 1 2 344.499 3.537 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000279854256 1044750715 /nfs/dbraw/zinc/75/07/15/1044750715.db2.gz ILEZHUMOPPNKJU-ZDUSSCGKSA-N 1 2 331.847 3.758 20 0 EHADLO FC(F)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000112770563 1044771584 /nfs/dbraw/zinc/77/15/84/1044771584.db2.gz GJNQMWZHJCPFKA-UHFFFAOYSA-N 1 2 338.427 3.610 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112784265 1044792064 /nfs/dbraw/zinc/79/20/64/1044792064.db2.gz KXVXUXYHYDLJCK-IAGOWNOFSA-N 1 2 339.345 3.893 20 0 EHADLO CCC(CC)(CC)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000153757701 1125656759 /nfs/dbraw/zinc/65/67/59/1125656759.db2.gz SOIINSDXENHNQD-UHFFFAOYSA-N 1 2 332.492 3.697 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000153814246 1125663345 /nfs/dbraw/zinc/66/33/45/1125663345.db2.gz MMPWHMMNKSFGBY-KRWDZBQOSA-N 1 2 331.847 3.716 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000153814246 1125663348 /nfs/dbraw/zinc/66/33/48/1125663348.db2.gz MMPWHMMNKSFGBY-KRWDZBQOSA-N 1 2 331.847 3.716 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC(C)(C)C3)c2C1 ZINC000620742441 1125680889 /nfs/dbraw/zinc/68/08/89/1125680889.db2.gz JRVLANNWFWOZEQ-UHFFFAOYSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC(C)(C)C3)c2C1 ZINC000620742441 1125680891 /nfs/dbraw/zinc/68/08/91/1125680891.db2.gz JRVLANNWFWOZEQ-UHFFFAOYSA-N 1 2 337.467 3.531 20 0 EHADLO COc1ccc(C)cc1C[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000154044193 1125687517 /nfs/dbraw/zinc/68/75/17/1125687517.db2.gz RBHWWARVOJMXBG-UHFFFAOYSA-N 1 2 336.439 3.609 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000154348877 1125713539 /nfs/dbraw/zinc/71/35/39/1125713539.db2.gz FVRICFVQUTXONC-IBGZPJMESA-N 1 2 331.460 3.869 20 0 EHADLO CC(C)c1sc(NC(=O)[C@H]2CSC[NH2+]2)nc1-c1ccccc1 ZINC000154399424 1125716246 /nfs/dbraw/zinc/71/62/46/1125716246.db2.gz XOJAVSVVWWZUFT-GFCCVEGCSA-N 1 2 333.482 3.535 20 0 EHADLO FC(F)(F)c1csc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000154391613 1125716755 /nfs/dbraw/zinc/71/67/55/1125716755.db2.gz ITVCNUAEGZRQHG-UHFFFAOYSA-N 1 2 325.315 3.927 20 0 EHADLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(-c2cccs2)n1 ZINC000154503662 1125723994 /nfs/dbraw/zinc/72/39/94/1125723994.db2.gz PELZFFAIUZNELU-UHFFFAOYSA-N 1 2 349.419 3.587 20 0 EHADLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000154905901 1125764511 /nfs/dbraw/zinc/76/45/11/1125764511.db2.gz HKVHPCVTJJSOSP-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO C[C@H]1CC[N@H+](Cc2scnc2Br)CCC1(F)F ZINC001238031731 1126705779 /nfs/dbraw/zinc/70/57/79/1126705779.db2.gz ZTAKEWQCRCJLNR-QMMMGPOBSA-N 1 2 325.222 3.773 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2scnc2Br)CCC1(F)F ZINC001238031731 1126705782 /nfs/dbraw/zinc/70/57/82/1126705782.db2.gz ZTAKEWQCRCJLNR-QMMMGPOBSA-N 1 2 325.222 3.773 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000622565138 1126719592 /nfs/dbraw/zinc/71/95/92/1126719592.db2.gz JJQMBLQOUYEFAS-RBUKOAKNSA-N 1 2 340.854 3.576 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988358 1126728556 /nfs/dbraw/zinc/72/85/56/1126728556.db2.gz QLQPHFHZXXEHAW-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988358 1126728560 /nfs/dbraw/zinc/72/85/60/1126728560.db2.gz QLQPHFHZXXEHAW-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1ccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000622670865 1126745190 /nfs/dbraw/zinc/74/51/90/1126745190.db2.gz OAWJRJMLRZNCOZ-UHFFFAOYSA-N 1 2 333.435 3.820 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000175223247 1126867885 /nfs/dbraw/zinc/86/78/85/1126867885.db2.gz FEENPYJUPKYJMD-SMDDNHRTSA-N 1 2 349.887 3.815 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000623222017 1126894610 /nfs/dbraw/zinc/89/46/10/1126894610.db2.gz DAHDRWHCWUOHIX-LBPRGKRZSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000623222017 1126894614 /nfs/dbraw/zinc/89/46/14/1126894614.db2.gz DAHDRWHCWUOHIX-LBPRGKRZSA-N 1 2 340.652 3.993 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623237006 1126900982 /nfs/dbraw/zinc/90/09/82/1126900982.db2.gz MXYLVXBVBGWYSQ-XIKOKIGWSA-N 1 2 344.842 3.713 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918650 1126934213 /nfs/dbraw/zinc/93/42/13/1126934213.db2.gz ULDPQIOVIYZJEH-ZFWWWQNUSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918650 1126934215 /nfs/dbraw/zinc/93/42/15/1126934215.db2.gz ULDPQIOVIYZJEH-ZFWWWQNUSA-N 1 2 343.500 3.889 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3cc(C)c(Br)cn3)nc2c1 ZINC000623437467 1126952033 /nfs/dbraw/zinc/95/20/33/1126952033.db2.gz IILZGDSWCGVORG-UHFFFAOYSA-N 1 2 345.244 3.627 20 0 EHADLO Cc1cccc([C@@H](NC(=O)NCCCCn2cc[nH+]c2)C(C)C)c1 ZINC000623487278 1126965369 /nfs/dbraw/zinc/96/53/69/1126965369.db2.gz ZLOWRJSCQGTJTH-SFHVURJKSA-N 1 2 328.460 3.668 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1-n1cccn1 ZINC000177090347 1126972642 /nfs/dbraw/zinc/97/26/42/1126972642.db2.gz KUMHMGGDZAMERQ-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1-n1cccn1 ZINC000177090347 1126972646 /nfs/dbraw/zinc/97/26/46/1126972646.db2.gz KUMHMGGDZAMERQ-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO CC(C)(CCc1ccccc1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177618191 1126984500 /nfs/dbraw/zinc/98/45/00/1126984500.db2.gz FVOLBHAEBLREIK-UHFFFAOYSA-N 1 2 336.439 3.545 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000178460678 1127018733 /nfs/dbraw/zinc/01/87/33/1127018733.db2.gz SCHVDWYBODSZLJ-CYBMUJFWSA-N 1 2 335.407 3.560 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000179525340 1127069034 /nfs/dbraw/zinc/06/90/34/1127069034.db2.gz CWZYDRUGXHZIQK-ZIAGYGMSSA-N 1 2 333.432 3.805 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000179917541 1127100125 /nfs/dbraw/zinc/10/01/25/1127100125.db2.gz POPNDKUSNAGEFM-OYLFLEFRSA-N 1 2 343.496 3.982 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)s1 ZINC000180416563 1127153778 /nfs/dbraw/zinc/15/37/78/1127153778.db2.gz CVNJLAAGDHPTOM-UHFFFAOYSA-N 1 2 341.480 3.508 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)s1 ZINC000180416563 1127153780 /nfs/dbraw/zinc/15/37/80/1127153780.db2.gz CVNJLAAGDHPTOM-UHFFFAOYSA-N 1 2 341.480 3.508 20 0 EHADLO CS/C=C/C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000083067757 1127176017 /nfs/dbraw/zinc/17/60/17/1127176017.db2.gz WMKWGCFXZHVOAK-DNGMOHDESA-N 1 2 342.867 3.609 20 0 EHADLO COc1ccccc1[C@H](CN[C@@H](C)c1nc(C)cs1)[NH+]1CCCC1 ZINC000623850289 1127197215 /nfs/dbraw/zinc/19/72/15/1127197215.db2.gz BQTJXTJKGUSATK-RDJZCZTQSA-N 1 2 345.512 3.948 20 0 EHADLO Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CC2 ZINC000623852165 1127202473 /nfs/dbraw/zinc/20/24/73/1127202473.db2.gz OIYKNCGLSVVFQZ-HNNXBMFYSA-N 1 2 334.826 3.574 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4scnc43)c[nH+]2)C[C@@H](C)O1 ZINC000623954696 1127221805 /nfs/dbraw/zinc/22/18/05/1127221805.db2.gz XPCBGLAMOGPOIS-UMVBOHGHSA-N 1 2 344.484 3.641 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623992507 1127228420 /nfs/dbraw/zinc/22/84/20/1127228420.db2.gz PWURFTJGRRENBA-SECBINFHSA-N 1 2 330.329 3.937 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)n1 ZINC000181617608 1127285709 /nfs/dbraw/zinc/28/57/09/1127285709.db2.gz HZXXYHCBGREUMH-KRWDZBQOSA-N 1 2 335.398 3.900 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000181661779 1127288150 /nfs/dbraw/zinc/28/81/50/1127288150.db2.gz LWSQVAHOKVKKHM-GOSISDBHSA-N 1 2 326.371 3.958 20 0 EHADLO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)n1 ZINC000181745159 1127293801 /nfs/dbraw/zinc/29/38/01/1127293801.db2.gz FTEHYJOKYPGITE-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO CC(C)COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nncn1C ZINC000181722567 1127292073 /nfs/dbraw/zinc/29/20/73/1127292073.db2.gz BJULJXZLVWASIU-KRWDZBQOSA-N 1 2 330.476 3.727 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccco3)co2)cc1 ZINC000182093758 1127311894 /nfs/dbraw/zinc/31/18/94/1127311894.db2.gz AXKNITWSYVXQJR-CYBMUJFWSA-N 1 2 340.379 3.914 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccco3)co2)cc1 ZINC000182093758 1127311896 /nfs/dbraw/zinc/31/18/96/1127311896.db2.gz AXKNITWSYVXQJR-CYBMUJFWSA-N 1 2 340.379 3.914 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182317772 1127323022 /nfs/dbraw/zinc/32/30/22/1127323022.db2.gz OPCBDRZGRMFBRT-FQEVSTJZSA-N 1 2 329.415 3.806 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182317772 1127323028 /nfs/dbraw/zinc/32/30/28/1127323028.db2.gz OPCBDRZGRMFBRT-FQEVSTJZSA-N 1 2 329.415 3.806 20 0 EHADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1-c1cccc(Cl)c1 ZINC000182319810 1127323672 /nfs/dbraw/zinc/32/36/72/1127323672.db2.gz WWMPVTVMQJUXRO-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO c1ccc2c(c1)SCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182884168 1127352406 /nfs/dbraw/zinc/35/24/06/1127352406.db2.gz DDXYBHXNBBOZJC-INIZCTEOSA-N 1 2 327.453 3.567 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182976999 1127356644 /nfs/dbraw/zinc/35/66/44/1127356644.db2.gz UYRSERQFJVYKOE-HNNXBMFYSA-N 1 2 347.422 3.661 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182976999 1127356649 /nfs/dbraw/zinc/35/66/49/1127356649.db2.gz UYRSERQFJVYKOE-HNNXBMFYSA-N 1 2 347.422 3.661 20 0 EHADLO Cc1cncc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000184051928 1127393457 /nfs/dbraw/zinc/39/34/57/1127393457.db2.gz LCNBWACXYCOAJM-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000184196021 1127397814 /nfs/dbraw/zinc/39/78/14/1127397814.db2.gz HWQXFPKLZFBBMJ-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000184476387 1127405961 /nfs/dbraw/zinc/40/59/61/1127405961.db2.gz NMEPKCNQHCRHLT-CYBMUJFWSA-N 1 2 337.533 3.738 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184488109 1127406288 /nfs/dbraw/zinc/40/62/88/1127406288.db2.gz DDZCDBBYPHIGKS-KBPBESRZSA-N 1 2 337.533 3.882 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000184556217 1127408366 /nfs/dbraw/zinc/40/83/66/1127408366.db2.gz ADTONERYDZENAH-PBHICJAKSA-N 1 2 330.428 3.709 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)s1 ZINC000184974685 1127417622 /nfs/dbraw/zinc/41/76/22/1127417622.db2.gz WQADPWKMBBRGFT-PBHICJAKSA-N 1 2 331.485 3.616 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000380338161 1127439101 /nfs/dbraw/zinc/43/91/01/1127439101.db2.gz JCPHOYMHIVPRBE-VIFPVBQESA-N 1 2 336.245 3.912 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000380338161 1127439102 /nfs/dbraw/zinc/43/91/02/1127439102.db2.gz JCPHOYMHIVPRBE-VIFPVBQESA-N 1 2 336.245 3.912 20 0 EHADLO Cc1cc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)c(C)c[nH+]1 ZINC001127732966 1127451423 /nfs/dbraw/zinc/45/14/23/1127451423.db2.gz CZYMITMHAPMSJG-UHFFFAOYSA-N 1 2 345.374 3.774 20 0 EHADLO COc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1Cc1ccccc1 ZINC000195119770 1127474006 /nfs/dbraw/zinc/47/40/06/1127474006.db2.gz BAQUYCBFXWJLHG-UHFFFAOYSA-N 1 2 349.434 3.591 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)Cn1ncc(Br)c1C1CC1 ZINC000764857963 1127544871 /nfs/dbraw/zinc/54/48/71/1127544871.db2.gz TZYVCIBFYRPTGT-UHFFFAOYSA-N 1 2 338.224 3.752 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)Cn1ncc(Br)c1C1CC1 ZINC000764857963 1127544873 /nfs/dbraw/zinc/54/48/73/1127544873.db2.gz TZYVCIBFYRPTGT-UHFFFAOYSA-N 1 2 338.224 3.752 20 0 EHADLO CCCC[N@H+](Cn1nc(COc2ccccc2)n(C)c1=S)C1CC1 ZINC000764882534 1127547489 /nfs/dbraw/zinc/54/74/89/1127547489.db2.gz KGXYLAVJZXJDFG-UHFFFAOYSA-N 1 2 346.500 3.752 20 0 EHADLO CCCC[N@@H+](Cn1nc(COc2ccccc2)n(C)c1=S)C1CC1 ZINC000764882534 1127547491 /nfs/dbraw/zinc/54/74/91/1127547491.db2.gz KGXYLAVJZXJDFG-UHFFFAOYSA-N 1 2 346.500 3.752 20 0 EHADLO O[C@@H](C[N@@H+]1Cc2ccc(Br)cc2C1)c1ccc(F)cc1 ZINC000765055000 1127567568 /nfs/dbraw/zinc/56/75/68/1127567568.db2.gz HSOGMOVSRXLQML-INIZCTEOSA-N 1 2 336.204 3.637 20 0 EHADLO O[C@@H](C[N@H+]1Cc2ccc(Br)cc2C1)c1ccc(F)cc1 ZINC000765055000 1127567572 /nfs/dbraw/zinc/56/75/72/1127567572.db2.gz HSOGMOVSRXLQML-INIZCTEOSA-N 1 2 336.204 3.637 20 0 EHADLO C[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000765269470 1127590990 /nfs/dbraw/zinc/59/09/90/1127590990.db2.gz JBJOBIXNKYFAHJ-LSDHHAIUSA-N 1 2 337.533 3.819 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(Cl)n1 ZINC000765317889 1127598269 /nfs/dbraw/zinc/59/82/69/1127598269.db2.gz DLSIBTBQVPGHHW-ZDUSSCGKSA-N 1 2 349.887 3.624 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000012807724 1127643709 /nfs/dbraw/zinc/64/37/09/1127643709.db2.gz LXDDOWYKDAQZKJ-SFHVURJKSA-N 1 2 329.407 3.759 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000265553204 1127687234 /nfs/dbraw/zinc/68/72/34/1127687234.db2.gz ZEGVWIQFYWEMKK-UHFFFAOYSA-N 1 2 340.471 3.525 20 0 EHADLO COCc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022289922 1127691124 /nfs/dbraw/zinc/69/11/24/1127691124.db2.gz UAKCSLUSJLFSHP-UHFFFAOYSA-N 1 2 345.468 3.528 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)C(F)(F)c1ccccc1F ZINC000765615581 1127710473 /nfs/dbraw/zinc/71/04/73/1127710473.db2.gz HLHMSJUKAMLRPL-UHFFFAOYSA-N 1 2 331.297 3.742 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000024791429 1127711448 /nfs/dbraw/zinc/71/14/48/1127711448.db2.gz BCFAIOGCDAFKTF-CQSZACIVSA-N 1 2 342.439 3.546 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000024791429 1127711452 /nfs/dbraw/zinc/71/14/52/1127711452.db2.gz BCFAIOGCDAFKTF-CQSZACIVSA-N 1 2 342.439 3.546 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccccc2OC2CCCC2)c1Cl ZINC000921556156 1127730326 /nfs/dbraw/zinc/73/03/26/1127730326.db2.gz GHXZGWRQOLCLLU-UHFFFAOYSA-N 1 2 333.863 3.993 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 ZINC000028684689 1127790561 /nfs/dbraw/zinc/79/05/61/1127790561.db2.gz LKSBUSAZVCYCOC-JTQLQIEISA-N 1 2 338.864 3.609 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 ZINC000028684689 1127790564 /nfs/dbraw/zinc/79/05/64/1127790564.db2.gz LKSBUSAZVCYCOC-JTQLQIEISA-N 1 2 338.864 3.609 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000338573467 1127840624 /nfs/dbraw/zinc/84/06/24/1127840624.db2.gz ROIIDOFJSMUNDI-MVJPYGJCSA-N 1 2 337.467 3.659 20 0 EHADLO COC(=O)Cc1ccc(CNc2cc[nH+]c3c(OC)cccc23)cc1 ZINC001168568500 1127842312 /nfs/dbraw/zinc/84/23/12/1127842312.db2.gz NNDSDEIRNDHRCF-UHFFFAOYSA-N 1 2 336.391 3.571 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000041220539 1127873650 /nfs/dbraw/zinc/87/36/50/1127873650.db2.gz KYTLEZOHFIESLR-XLIONFOSSA-N 1 2 348.450 3.555 20 0 EHADLO Cc1cc(CC(C)C)ncc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212356042 1127948325 /nfs/dbraw/zinc/94/83/25/1127948325.db2.gz KBEHOXVPCWBIKX-UHFFFAOYSA-N 1 2 326.444 3.564 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2ccccc2)CC1 ZINC000045676584 1127956998 /nfs/dbraw/zinc/95/69/98/1127956998.db2.gz AHAHMRCEKQSZKR-UHFFFAOYSA-N 1 2 345.446 3.951 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2CCCCC2)C[C@@H](C)O1 ZINC000046341913 1127976098 /nfs/dbraw/zinc/97/60/98/1127976098.db2.gz YNOGEETUFWUBMI-HZPDHXFCSA-N 1 2 330.472 3.815 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000046619773 1127984486 /nfs/dbraw/zinc/98/44/86/1127984486.db2.gz VWTRQKVSVAIYGA-UHFFFAOYSA-N 1 2 331.419 3.634 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000047500331 1128009031 /nfs/dbraw/zinc/00/90/31/1128009031.db2.gz YVSVQVJISVVIPR-QGZVFWFLSA-N 1 2 326.444 3.580 20 0 EHADLO c1csc(-c2cncc(NCCCCNc3cccc[nH+]3)n2)c1 ZINC000338662366 1128011170 /nfs/dbraw/zinc/01/11/70/1128011170.db2.gz IBUWEBBAUZDFPM-UHFFFAOYSA-N 1 2 325.441 3.904 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cs1 ZINC000671700977 1128011905 /nfs/dbraw/zinc/01/19/05/1128011905.db2.gz PQPSDMNYMMJACA-CQSZACIVSA-N 1 2 330.453 3.702 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001670904680 1128012276 /nfs/dbraw/zinc/01/22/76/1128012276.db2.gz VIIFHXCMOJLYLA-UHFFFAOYSA-N 1 2 330.453 3.566 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(C(F)(F)F)c1 ZINC000056532093 1128022117 /nfs/dbraw/zinc/02/21/17/1128022117.db2.gz YLYVADJJCSBWRN-UHFFFAOYSA-N 1 2 326.322 3.504 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000056719060 1128026442 /nfs/dbraw/zinc/02/64/42/1128026442.db2.gz CVHMJJFEDLJEJK-UHFFFAOYSA-N 1 2 340.358 3.636 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H](c1ccccc1)C1CC1 ZINC000056894972 1128031345 /nfs/dbraw/zinc/03/13/45/1128031345.db2.gz GRDXFUOUXHJLOH-FQEVSTJZSA-N 1 2 346.434 3.823 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccs1 ZINC000057243638 1128042687 /nfs/dbraw/zinc/04/26/87/1128042687.db2.gz BIIVGOVYMLVWAR-OAHLLOKOSA-N 1 2 344.484 3.694 20 0 EHADLO c1csc(-c2ccccc2Nc2ccc[nH+]c2N2CCOCC2)n1 ZINC001212368858 1128061770 /nfs/dbraw/zinc/06/17/70/1128061770.db2.gz MOQKDVDTRARQTJ-UHFFFAOYSA-N 1 2 338.436 3.785 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)c(C)c2)c1C ZINC000058601137 1128073093 /nfs/dbraw/zinc/07/30/93/1128073093.db2.gz QBOUVOKFEKOWSM-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO COc1ccccc1C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000058659710 1128076000 /nfs/dbraw/zinc/07/60/00/1128076000.db2.gz QRSMZIAVICSREO-UHFFFAOYSA-N 1 2 335.407 3.797 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000059258873 1128088792 /nfs/dbraw/zinc/08/87/92/1128088792.db2.gz MNKNMULEVLMSPK-INIZCTEOSA-N 1 2 347.846 3.761 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000059258873 1128088794 /nfs/dbraw/zinc/08/87/94/1128088794.db2.gz MNKNMULEVLMSPK-INIZCTEOSA-N 1 2 347.846 3.761 20 0 EHADLO CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060602686 1128109839 /nfs/dbraw/zinc/10/98/39/1128109839.db2.gz HGGYNXDLEKMBET-UHFFFAOYSA-N 1 2 339.826 3.857 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000061024916 1128118303 /nfs/dbraw/zinc/11/83/03/1128118303.db2.gz SFRCHWKLKXDOFJ-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000061024916 1128118305 /nfs/dbraw/zinc/11/83/05/1128118305.db2.gz SFRCHWKLKXDOFJ-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO O=C(c1cccc(F)c1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254470 1128132199 /nfs/dbraw/zinc/13/21/99/1128132199.db2.gz JECQBHPSPZDKFY-CYBMUJFWSA-N 1 2 345.393 3.517 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000065425681 1128189423 /nfs/dbraw/zinc/18/94/23/1128189423.db2.gz JQFKQMGFRQUMAF-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000065425681 1128189425 /nfs/dbraw/zinc/18/94/25/1128189425.db2.gz JQFKQMGFRQUMAF-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000734477092 1131242504 /nfs/dbraw/zinc/24/25/04/1131242504.db2.gz KNBMERGBIPYRQS-SJLPKXTDSA-N 1 2 348.446 3.668 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000734477092 1131242507 /nfs/dbraw/zinc/24/25/07/1131242507.db2.gz KNBMERGBIPYRQS-SJLPKXTDSA-N 1 2 348.446 3.668 20 0 EHADLO CSc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000065758912 1128201249 /nfs/dbraw/zinc/20/12/49/1128201249.db2.gz ZHKBRBHVNNWRIW-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000066865161 1128228943 /nfs/dbraw/zinc/22/89/43/1128228943.db2.gz JYGCDRVXWWMZCR-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO CCC[N@H+](Cc1csc(N(CC)C(C)=O)n1)Cc1ccccc1 ZINC000067129251 1128234695 /nfs/dbraw/zinc/23/46/95/1128234695.db2.gz SLPDUSXZKFRWRF-UHFFFAOYSA-N 1 2 331.485 3.928 20 0 EHADLO CCC[N@@H+](Cc1csc(N(CC)C(C)=O)n1)Cc1ccccc1 ZINC000067129251 1128234698 /nfs/dbraw/zinc/23/46/98/1128234698.db2.gz SLPDUSXZKFRWRF-UHFFFAOYSA-N 1 2 331.485 3.928 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000067441780 1128241215 /nfs/dbraw/zinc/24/12/15/1128241215.db2.gz SGRSECODYANEOS-UHFFFAOYSA-N 1 2 336.482 3.647 20 0 EHADLO COc1ccc([C@H]2C[C@@H]([NH2+]C(C)(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001168602392 1128281139 /nfs/dbraw/zinc/28/11/39/1128281139.db2.gz SRMWSEAHNRQOIS-DOTOQJQBSA-N 1 2 349.471 3.625 20 0 EHADLO Cc1ccc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000070891002 1128296924 /nfs/dbraw/zinc/29/69/24/1128296924.db2.gz NOSQTNBLONTNQH-UHFFFAOYSA-N 1 2 349.434 3.842 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(F)(F)F ZINC000624528248 1128387033 /nfs/dbraw/zinc/38/70/33/1128387033.db2.gz KZDVOHTYZAZPMR-SNVBAGLBSA-N 1 2 335.395 3.656 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000624528492 1128387288 /nfs/dbraw/zinc/38/72/88/1128387288.db2.gz YAUIWDMLFDZHQQ-WDEREUQCSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000624528492 1128387292 /nfs/dbraw/zinc/38/72/92/1128387292.db2.gz YAUIWDMLFDZHQQ-WDEREUQCSA-N 1 2 349.422 3.902 20 0 EHADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000352451760 1128406767 /nfs/dbraw/zinc/40/67/67/1128406767.db2.gz XNWGFNIQJIYSQI-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000352451760 1128406768 /nfs/dbraw/zinc/40/67/68/1128406768.db2.gz XNWGFNIQJIYSQI-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO FCC[C@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000624652843 1128419487 /nfs/dbraw/zinc/41/94/87/1128419487.db2.gz RSOFSRAYDJTHBW-ZDUSSCGKSA-N 1 2 328.309 3.818 20 0 EHADLO Cc1cc([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1N1CCOCC1 ZINC000765809545 1128420936 /nfs/dbraw/zinc/42/09/36/1128420936.db2.gz KRPRQYTYCGVFEK-RBUKOAKNSA-N 1 2 332.488 3.836 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cscc1Br)CO2 ZINC000352741976 1128434319 /nfs/dbraw/zinc/43/43/19/1128434319.db2.gz KOIFCFDNAGXMPA-GFCCVEGCSA-N 1 2 328.206 3.873 20 0 EHADLO CO[C@@H](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C(F)(F)F ZINC000921655289 1128437295 /nfs/dbraw/zinc/43/72/95/1128437295.db2.gz QFZPBJVFKUHRPC-ZDUSSCGKSA-N 1 2 341.333 3.599 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2)[nH+]c1C ZINC000921656232 1128437503 /nfs/dbraw/zinc/43/75/03/1128437503.db2.gz LZEYLTYOKVOSTA-UHFFFAOYSA-N 1 2 333.395 3.613 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn4c3C[C@H](C)CC4)cc2)[nH+]c1C ZINC000921656059 1128437587 /nfs/dbraw/zinc/43/75/87/1128437587.db2.gz QHNHUYGJILUNKG-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921661669 1128440101 /nfs/dbraw/zinc/44/01/01/1128440101.db2.gz AHVGSQYSTTXLRI-SNVBAGLBSA-N 1 2 337.427 3.776 20 0 EHADLO Cc1ccc(-c2cc(C(=O)OCc3c[nH+]cn3C)c3ccccc3n2)o1 ZINC000780402455 1128453091 /nfs/dbraw/zinc/45/30/91/1128453091.db2.gz XKFGKRXWHKJZEW-UHFFFAOYSA-N 1 2 347.374 3.894 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC[C@H]1CC=CCC1 ZINC000624698707 1128457246 /nfs/dbraw/zinc/45/72/46/1128457246.db2.gz YFNQJOMXTVOXQD-KRWDZBQOSA-N 1 2 332.492 3.614 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000054446976 1128475023 /nfs/dbraw/zinc/47/50/23/1128475023.db2.gz FIWKMFIZGAMKSA-FQEVSTJZSA-N 1 2 348.446 3.512 20 0 EHADLO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000921680818 1128494205 /nfs/dbraw/zinc/49/42/05/1128494205.db2.gz MWRQNSMDKPUHFN-UHFFFAOYSA-N 1 2 328.803 3.885 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000172533335 1128503178 /nfs/dbraw/zinc/50/31/78/1128503178.db2.gz FGQHXZACHNWKKR-HNNXBMFYSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000172533335 1128503181 /nfs/dbraw/zinc/50/31/81/1128503181.db2.gz FGQHXZACHNWKKR-HNNXBMFYSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(C(=O)OC(C)(C)C)n1)CCC2 ZINC000338685496 1128525860 /nfs/dbraw/zinc/52/58/60/1128525860.db2.gz LNMWLNHDJGMKTO-CQSZACIVSA-N 1 2 342.443 3.531 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CC[C@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639548 1128554740 /nfs/dbraw/zinc/55/47/40/1128554740.db2.gz ZXXSCYOAXCMEGC-VYDXJSESSA-N 1 2 343.389 3.842 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CC[C@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639548 1128554743 /nfs/dbraw/zinc/55/47/43/1128554743.db2.gz ZXXSCYOAXCMEGC-VYDXJSESSA-N 1 2 343.389 3.842 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000353940866 1128676228 /nfs/dbraw/zinc/67/62/28/1128676228.db2.gz LPJCXUVJELWVOJ-UHFFFAOYSA-N 1 2 346.434 3.633 20 0 EHADLO C[C@H](CNc1ncnc2sc3c(c21)CC[C@H](C)C3)Cn1cc[nH+]c1 ZINC000060380086 1128727360 /nfs/dbraw/zinc/72/73/60/1128727360.db2.gz CVQBDDDGQOCKRB-QWHCGFSZSA-N 1 2 341.484 3.761 20 0 EHADLO Cc1cccc(C[NH2+]Cc2csc(N(C)C)n2)c1Br ZINC000921811974 1128782065 /nfs/dbraw/zinc/78/20/65/1128782065.db2.gz KNCQHCQWVFCGPN-UHFFFAOYSA-N 1 2 340.290 3.570 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146790 1128799369 /nfs/dbraw/zinc/79/93/69/1128799369.db2.gz BXWQZBKWYCPBPZ-KVZIAJEVSA-N 1 2 337.467 3.678 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000075638943 1128873076 /nfs/dbraw/zinc/87/30/76/1128873076.db2.gz JNXBWTZJYGENFJ-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000075638943 1128873079 /nfs/dbraw/zinc/87/30/79/1128873079.db2.gz JNXBWTZJYGENFJ-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cs1 ZINC000111407005 1120019380 /nfs/dbraw/zinc/01/93/80/1120019380.db2.gz TXUHHXKLAVGKAD-LLVKDONJSA-N 1 2 336.457 3.582 20 0 EHADLO C[C@@H]1CC(C)(C)CN1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371317 1120042823 /nfs/dbraw/zinc/04/28/23/1120042823.db2.gz PDYANTZTNXIREV-CYBMUJFWSA-N 1 2 326.444 3.953 20 0 EHADLO CC1(C)CCC[C@@H](C[NH2+]c2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC001648841405 1120053086 /nfs/dbraw/zinc/05/30/86/1120053086.db2.gz PGTOXXMKWFALDL-CQSZACIVSA-N 1 2 349.906 3.905 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000050580778 1120090565 /nfs/dbraw/zinc/09/05/65/1120090565.db2.gz YZIDXRCCYWZHMM-LLVKDONJSA-N 1 2 340.254 3.672 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687361102 1120175925 /nfs/dbraw/zinc/17/59/25/1120175925.db2.gz PKYPOCSNFYNENE-FOIQADDNSA-N 1 2 335.451 3.502 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687361102 1120175929 /nfs/dbraw/zinc/17/59/29/1120175929.db2.gz PKYPOCSNFYNENE-FOIQADDNSA-N 1 2 335.451 3.502 20 0 EHADLO O=C(NCCCc1ccsc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001648922915 1120202302 /nfs/dbraw/zinc/20/23/02/1120202302.db2.gz XDNRHEVIOGHEFJ-UHFFFAOYSA-N 1 2 337.448 3.671 20 0 EHADLO Clc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001648924716 1120204209 /nfs/dbraw/zinc/20/42/09/1120204209.db2.gz OUZIJDXXTQXAHW-KRWDZBQOSA-N 1 2 340.814 3.534 20 0 EHADLO Cc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccn1C(C)C ZINC000338763080 1128901599 /nfs/dbraw/zinc/90/15/99/1128901599.db2.gz QQOLNWKXQMZLMO-UHFFFAOYSA-N 1 2 336.439 3.552 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000008120490 1128903710 /nfs/dbraw/zinc/90/37/10/1128903710.db2.gz NIIVDPYLPXWVMJ-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000008120490 1128903712 /nfs/dbraw/zinc/90/37/12/1128903712.db2.gz NIIVDPYLPXWVMJ-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000176987058 1120309915 /nfs/dbraw/zinc/30/99/15/1120309915.db2.gz NIYQOFIINIRIKQ-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000176987058 1120309918 /nfs/dbraw/zinc/30/99/18/1120309918.db2.gz NIYQOFIINIRIKQ-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)CC(C)C)CC2)c1 ZINC000184526855 1120379163 /nfs/dbraw/zinc/37/91/63/1120379163.db2.gz CYXRXWORETXJTK-IAGOWNOFSA-N 1 2 332.488 3.583 20 0 EHADLO CCSc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000184783349 1120386327 /nfs/dbraw/zinc/38/63/27/1120386327.db2.gz IYRDGUZZOWDFPJ-UHFFFAOYSA-N 1 2 329.469 3.642 20 0 EHADLO CCSc1cccc(CNc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000184783132 1120386540 /nfs/dbraw/zinc/38/65/40/1120386540.db2.gz ZIWWHJVNLRTAMR-UHFFFAOYSA-N 1 2 329.469 3.642 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1F)n2C ZINC000185840520 1120431194 /nfs/dbraw/zinc/43/11/94/1120431194.db2.gz CCMKNMILFHQDFL-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000186268357 1120451710 /nfs/dbraw/zinc/45/17/10/1120451710.db2.gz NRDDNZILSAYLDM-XLIONFOSSA-N 1 2 329.488 3.760 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)c1 ZINC000186285857 1120453583 /nfs/dbraw/zinc/45/35/83/1120453583.db2.gz IPLJOGOLYFJUGI-ZDUSSCGKSA-N 1 2 331.485 3.867 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187035338 1120484036 /nfs/dbraw/zinc/48/40/36/1120484036.db2.gz VRRFDHJRBQMYOX-HXUWFJFHSA-N 1 2 346.434 3.537 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187035354 1120484144 /nfs/dbraw/zinc/48/41/44/1120484144.db2.gz VRRFDHJRBQMYOX-FQEVSTJZSA-N 1 2 346.434 3.537 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[S@]1=O ZINC000187561041 1120503452 /nfs/dbraw/zinc/50/34/52/1120503452.db2.gz CKOOYLZJCKIZSL-XMMPIXPASA-N 1 2 345.512 3.508 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[S@]1=O ZINC000187561041 1120503453 /nfs/dbraw/zinc/50/34/53/1120503453.db2.gz CKOOYLZJCKIZSL-XMMPIXPASA-N 1 2 345.512 3.508 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1cc(O)ccc1Br ZINC000189198043 1120554697 /nfs/dbraw/zinc/55/46/97/1120554697.db2.gz DITWPZHMXWUCIZ-UHFFFAOYSA-N 1 2 340.192 3.592 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000189653556 1120603077 /nfs/dbraw/zinc/60/30/77/1120603077.db2.gz CKQLDALWWDLLCJ-LLVKDONJSA-N 1 2 340.901 3.982 20 0 EHADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc3ccccc3o2)cc1 ZINC000076546222 1128927765 /nfs/dbraw/zinc/92/77/65/1128927765.db2.gz CNLSUUFKVFFVJN-GOSISDBHSA-N 1 2 337.423 3.622 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000494625434 1120704726 /nfs/dbraw/zinc/70/47/26/1120704726.db2.gz KQXNNFAOXBSXBX-QWRGUYRKSA-N 1 2 335.454 3.552 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000494625435 1120705194 /nfs/dbraw/zinc/70/51/94/1120705194.db2.gz KQXNNFAOXBSXBX-WDEREUQCSA-N 1 2 335.454 3.552 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3ccc(Cl)c(F)c3)CCCC2)no1 ZINC000192047357 1120707556 /nfs/dbraw/zinc/70/75/56/1120707556.db2.gz ZKESOPHPMAUYSO-UHFFFAOYSA-N 1 2 339.798 3.608 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000914464571 1120785471 /nfs/dbraw/zinc/78/54/71/1120785471.db2.gz HAUGICVHYJBZNZ-ZDUSSCGKSA-N 1 2 341.546 3.847 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000914464571 1120785474 /nfs/dbraw/zinc/78/54/74/1120785474.db2.gz HAUGICVHYJBZNZ-ZDUSSCGKSA-N 1 2 341.546 3.847 20 0 EHADLO CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000542516726 1120881747 /nfs/dbraw/zinc/88/17/47/1120881747.db2.gz BSELWNAKJOZCKD-SECBINFHSA-N 1 2 348.082 3.839 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000542516726 1120881751 /nfs/dbraw/zinc/88/17/51/1120881751.db2.gz BSELWNAKJOZCKD-SECBINFHSA-N 1 2 348.082 3.839 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000494999062 1120925618 /nfs/dbraw/zinc/92/56/18/1120925618.db2.gz QRVJYLMOTSOHJH-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000494999062 1120925620 /nfs/dbraw/zinc/92/56/20/1120925620.db2.gz QRVJYLMOTSOHJH-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153287353 1120936394 /nfs/dbraw/zinc/93/63/94/1120936394.db2.gz GOSYKHLHNHWAPM-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153287353 1120936398 /nfs/dbraw/zinc/93/63/98/1120936398.db2.gz GOSYKHLHNHWAPM-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1CCC1CCCC1 ZINC000495044491 1120939693 /nfs/dbraw/zinc/93/96/93/1120939693.db2.gz KHMOIUYLAAMVAH-SFHVURJKSA-N 1 2 340.471 3.979 20 0 EHADLO CO[C@@H]1CCC[C@@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051179 1120998351 /nfs/dbraw/zinc/99/83/51/1120998351.db2.gz WPNLYNOYIHMJHS-RHSMWYFYSA-N 1 2 338.411 3.670 20 0 EHADLO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c1 ZINC000157052988 1128959660 /nfs/dbraw/zinc/95/96/60/1128959660.db2.gz PNVSRDZKZBIZAF-NSHDSACASA-N 1 2 341.427 3.970 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1cnc(-c2ccccc2)n1 ZINC000762117543 1121110073 /nfs/dbraw/zinc/11/00/73/1121110073.db2.gz AUIYMPWNPVWLNZ-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1cnc(-c2ccccc2)n1 ZINC000762117543 1121110076 /nfs/dbraw/zinc/11/00/76/1121110076.db2.gz AUIYMPWNPVWLNZ-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000232399233 1121112419 /nfs/dbraw/zinc/11/24/19/1121112419.db2.gz GEDKJLSRIZTMHK-VHSXEESVSA-N 1 2 331.243 3.663 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(CCc2cccs2)c1=S ZINC000762140202 1121128322 /nfs/dbraw/zinc/12/83/22/1121128322.db2.gz SRFOQIXICZEXND-AWEZNQCLSA-N 1 2 348.541 3.940 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ncn(CCc2cccs2)c1=S ZINC000762140202 1121128326 /nfs/dbraw/zinc/12/83/26/1121128326.db2.gz SRFOQIXICZEXND-AWEZNQCLSA-N 1 2 348.541 3.940 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1nnc2ccccn21 ZINC000495390595 1121163704 /nfs/dbraw/zinc/16/37/04/1121163704.db2.gz GFOMIBFZBFSOSG-MRXNPFEDSA-N 1 2 343.500 3.970 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000171654779 1121187719 /nfs/dbraw/zinc/18/77/19/1121187719.db2.gz GBGYCNLNOBHTEZ-LBPRGKRZSA-N 1 2 333.386 3.748 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000171654779 1121187720 /nfs/dbraw/zinc/18/77/20/1121187720.db2.gz GBGYCNLNOBHTEZ-LBPRGKRZSA-N 1 2 333.386 3.748 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000193396601 1121243265 /nfs/dbraw/zinc/24/32/65/1121243265.db2.gz DSFSLWLVERRDFU-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000193396601 1121243269 /nfs/dbraw/zinc/24/32/69/1121243269.db2.gz DSFSLWLVERRDFU-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000915209231 1121253140 /nfs/dbraw/zinc/25/31/40/1121253140.db2.gz LDFBCTINIAQPNM-CYBMUJFWSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000915209231 1121253147 /nfs/dbraw/zinc/25/31/47/1121253147.db2.gz LDFBCTINIAQPNM-CYBMUJFWSA-N 1 2 334.489 3.867 20 0 EHADLO CSCc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=S)o1 ZINC000915209637 1121253927 /nfs/dbraw/zinc/25/39/27/1121253927.db2.gz LUKLXDYQVORTRO-XQQFMLRXSA-N 1 2 327.519 3.927 20 0 EHADLO CSCc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=S)o1 ZINC000915209637 1121253929 /nfs/dbraw/zinc/25/39/29/1121253929.db2.gz LUKLXDYQVORTRO-XQQFMLRXSA-N 1 2 327.519 3.927 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000915210176 1121254553 /nfs/dbraw/zinc/25/45/53/1121254553.db2.gz WKDJJRXEMRNEQE-USXIJHARSA-N 1 2 340.467 3.691 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000915210176 1121254559 /nfs/dbraw/zinc/25/45/59/1121254559.db2.gz WKDJJRXEMRNEQE-USXIJHARSA-N 1 2 340.467 3.691 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000053608267 1121319549 /nfs/dbraw/zinc/31/95/49/1121319549.db2.gz JAOXAUWECIFJKR-ZDUSSCGKSA-N 1 2 326.400 3.714 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000053608267 1121319556 /nfs/dbraw/zinc/31/95/56/1121319556.db2.gz JAOXAUWECIFJKR-ZDUSSCGKSA-N 1 2 326.400 3.714 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000762498856 1121328620 /nfs/dbraw/zinc/32/86/20/1121328620.db2.gz ZYQULVITTJIKAV-FXAWDEMLSA-N 1 2 337.467 3.911 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000762498856 1121328626 /nfs/dbraw/zinc/32/86/26/1121328626.db2.gz ZYQULVITTJIKAV-FXAWDEMLSA-N 1 2 337.467 3.911 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cs1 ZINC000495689312 1121359275 /nfs/dbraw/zinc/35/92/75/1121359275.db2.gz XYASSXFZFVFLTQ-OLZOCXBDSA-N 1 2 339.505 3.583 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cs1 ZINC000495689312 1121359282 /nfs/dbraw/zinc/35/92/82/1121359282.db2.gz XYASSXFZFVFLTQ-OLZOCXBDSA-N 1 2 339.505 3.583 20 0 EHADLO COc1cccc(C(F)(F)F)c1CNc1ccc(N(C)C)c[nH+]1 ZINC001168492181 1121379507 /nfs/dbraw/zinc/37/95/07/1121379507.db2.gz WHYLJUAFSVNZAG-UHFFFAOYSA-N 1 2 325.334 3.787 20 0 EHADLO C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)Cn1cc[nH+]c1 ZINC000153608991 1121412609 /nfs/dbraw/zinc/41/26/09/1121412609.db2.gz ZJGVJQDMHNSCHE-NSHDSACASA-N 1 2 333.844 3.817 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000542570205 1121435646 /nfs/dbraw/zinc/43/56/46/1121435646.db2.gz WYCCJRSJXZAWCY-ZDUSSCGKSA-N 1 2 339.370 3.770 20 0 EHADLO Clc1cccc(CNc2ccc(N3CCOCC3)[nH+]c2)c1Cl ZINC000237856689 1121496002 /nfs/dbraw/zinc/49/60/02/1121496002.db2.gz YWHGGOFPIKSLRJ-UHFFFAOYSA-N 1 2 338.238 3.837 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC ZINC000915642555 1121571724 /nfs/dbraw/zinc/57/17/24/1121571724.db2.gz HOQCPBYCVWYGJY-LJQANCHMSA-N 1 2 349.434 3.821 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000393437020 1121639025 /nfs/dbraw/zinc/63/90/25/1121639025.db2.gz SMYKIJSMSKVXFN-SECBINFHSA-N 1 2 333.741 3.823 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(F)=C1CCCC1 ZINC000763016119 1121655656 /nfs/dbraw/zinc/65/56/56/1121655656.db2.gz NWEPKUSQJFQRDX-UHFFFAOYSA-N 1 2 332.419 3.563 20 0 EHADLO C[C@@H](CC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000496103184 1121684609 /nfs/dbraw/zinc/68/46/09/1121684609.db2.gz LMVSAXPEUZLYJG-ZDUSSCGKSA-N 1 2 345.399 3.787 20 0 EHADLO Cc1cccc(C)c1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224866 1121749883 /nfs/dbraw/zinc/74/98/83/1121749883.db2.gz FDHSQGUVVDFEDP-UHFFFAOYSA-N 1 2 339.370 3.646 20 0 EHADLO CC(C)n1cc(C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)nn1 ZINC000656656652 1129008185 /nfs/dbraw/zinc/00/81/85/1129008185.db2.gz YNOPBLPFAXVRFH-UHFFFAOYSA-N 1 2 338.377 3.552 20 0 EHADLO CCc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696264 1121858309 /nfs/dbraw/zinc/85/83/09/1121858309.db2.gz FAPALBGIGFFJHW-UHFFFAOYSA-N 1 2 333.435 3.684 20 0 EHADLO S=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1 ZINC000916023277 1122024656 /nfs/dbraw/zinc/02/46/56/1122024656.db2.gz JUFLDDZBVKPMDY-UHFFFAOYSA-N 1 2 326.469 3.559 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000496557955 1122118793 /nfs/dbraw/zinc/11/87/93/1122118793.db2.gz DYWFSZCHPALHLM-GFCCVEGCSA-N 1 2 344.415 3.574 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000496557955 1122118795 /nfs/dbraw/zinc/11/87/95/1122118795.db2.gz DYWFSZCHPALHLM-GFCCVEGCSA-N 1 2 344.415 3.574 20 0 EHADLO C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@@H]1CC(C)(C)OC1=O ZINC000496966727 1122216322 /nfs/dbraw/zinc/21/63/22/1122216322.db2.gz ZWZNQXFEQRBNPL-OAHLLOKOSA-N 1 2 348.443 3.560 20 0 EHADLO C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@@H]1CC(C)(C)OC1=O ZINC000496966727 1122216326 /nfs/dbraw/zinc/21/63/26/1122216326.db2.gz ZWZNQXFEQRBNPL-OAHLLOKOSA-N 1 2 348.443 3.560 20 0 EHADLO C[C@H](Cc1ccoc1)Nc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000496950475 1122218162 /nfs/dbraw/zinc/21/81/62/1122218162.db2.gz QGPCVSLEUMIBNX-CYBMUJFWSA-N 1 2 331.416 3.742 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+](C)CCNC(=O)OC(C)(C)C)o1 ZINC000496976367 1122223412 /nfs/dbraw/zinc/22/34/12/1122223412.db2.gz GKIOBGHRRZLVHL-UHFFFAOYSA-N 1 2 345.443 3.607 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)o1 ZINC000496976367 1122223417 /nfs/dbraw/zinc/22/34/17/1122223417.db2.gz GKIOBGHRRZLVHL-UHFFFAOYSA-N 1 2 345.443 3.607 20 0 EHADLO Cc1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc(C)c1O ZINC000916843004 1122366270 /nfs/dbraw/zinc/36/62/70/1122366270.db2.gz LNCNQZSQFOURSM-UHFFFAOYSA-N 1 2 326.440 3.582 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000126382815 1122403352 /nfs/dbraw/zinc/40/33/52/1122403352.db2.gz KRWKJRMXYJWWQE-UHFFFAOYSA-N 1 2 343.496 3.971 20 0 EHADLO CCc1nc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000497255423 1122423711 /nfs/dbraw/zinc/42/37/11/1122423711.db2.gz ZEUOAVWLMINATH-ZDUSSCGKSA-N 1 2 345.468 3.855 20 0 EHADLO CCc1nc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000497255423 1122423712 /nfs/dbraw/zinc/42/37/12/1122423712.db2.gz ZEUOAVWLMINATH-ZDUSSCGKSA-N 1 2 345.468 3.855 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000127195731 1122468538 /nfs/dbraw/zinc/46/85/38/1122468538.db2.gz MHJXYEAZJYQBHX-CYBMUJFWSA-N 1 2 335.423 3.968 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000127195731 1122468543 /nfs/dbraw/zinc/46/85/43/1122468543.db2.gz MHJXYEAZJYQBHX-CYBMUJFWSA-N 1 2 335.423 3.968 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127315990 1122476663 /nfs/dbraw/zinc/47/66/63/1122476663.db2.gz PLNSBCHCIWUBQO-ROUUACIJSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127315990 1122476668 /nfs/dbraw/zinc/47/66/68/1122476668.db2.gz PLNSBCHCIWUBQO-ROUUACIJSA-N 1 2 336.426 3.797 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000066828626 1122486091 /nfs/dbraw/zinc/48/60/91/1122486091.db2.gz YWKWOSJLUABPNX-SFHVURJKSA-N 1 2 326.419 3.871 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000066828626 1122486093 /nfs/dbraw/zinc/48/60/93/1122486093.db2.gz YWKWOSJLUABPNX-SFHVURJKSA-N 1 2 326.419 3.871 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)c3ccco3)cn2c1 ZINC000127997539 1122521820 /nfs/dbraw/zinc/52/18/20/1122521820.db2.gz WERSTYXJWOWUQY-AWEZNQCLSA-N 1 2 343.452 3.689 20 0 EHADLO CSc1nc2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3)cc2s1 ZINC000917360633 1122589161 /nfs/dbraw/zinc/58/91/61/1122589161.db2.gz RIPGJPNBOLJVOY-JTQLQIEISA-N 1 2 332.454 3.805 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917436440 1122602797 /nfs/dbraw/zinc/60/27/97/1122602797.db2.gz HYZYQDOLNRSGSM-AWEZNQCLSA-N 1 2 345.516 3.822 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917436440 1122602799 /nfs/dbraw/zinc/60/27/99/1122602799.db2.gz HYZYQDOLNRSGSM-AWEZNQCLSA-N 1 2 345.516 3.822 20 0 EHADLO CCC1CC[NH+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 ZINC000917483879 1122613958 /nfs/dbraw/zinc/61/39/58/1122613958.db2.gz YPQOQLVSUWUQDN-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO CCC(CC)[N@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C1CC1 ZINC000918180006 1122772325 /nfs/dbraw/zinc/77/23/25/1122772325.db2.gz VRNZSDFXQTWZSL-UHFFFAOYSA-N 1 2 343.393 3.750 20 0 EHADLO CCC(CC)[N@@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C1CC1 ZINC000918180006 1122772329 /nfs/dbraw/zinc/77/23/29/1122772329.db2.gz VRNZSDFXQTWZSL-UHFFFAOYSA-N 1 2 343.393 3.750 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183424 1122772940 /nfs/dbraw/zinc/77/29/40/1122772940.db2.gz CDNCQCNUDYQJPT-ZDUSSCGKSA-N 1 2 345.830 3.717 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000556086570 1122805036 /nfs/dbraw/zinc/80/50/36/1122805036.db2.gz ACSWXOADZKBCFL-INIZCTEOSA-N 1 2 349.471 3.909 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000556086570 1122805044 /nfs/dbraw/zinc/80/50/44/1122805044.db2.gz ACSWXOADZKBCFL-INIZCTEOSA-N 1 2 349.471 3.909 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)c(F)cc1F ZINC000129728652 1122840314 /nfs/dbraw/zinc/84/03/14/1122840314.db2.gz KODOBYBUBJPMOF-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(F)cc1 ZINC000498349883 1122879782 /nfs/dbraw/zinc/87/97/82/1122879782.db2.gz LYQQRLDAYZEVEA-LRDDRELGSA-N 1 2 334.460 3.884 20 0 EHADLO O=C(c1cccs1)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000130324986 1122935424 /nfs/dbraw/zinc/93/54/24/1122935424.db2.gz GDXFGMAVKOVNRV-KRWDZBQOSA-N 1 2 344.455 3.723 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000010139107 1122971277 /nfs/dbraw/zinc/97/12/77/1122971277.db2.gz WHRVNJSRSISGLG-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000010139107 1122971280 /nfs/dbraw/zinc/97/12/80/1122971280.db2.gz WHRVNJSRSISGLG-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO Nc1cc(COC(=O)[C@@H](OCC2CCCC2)c2ccccc2)cc[nH+]1 ZINC000923761144 1122994487 /nfs/dbraw/zinc/99/44/87/1122994487.db2.gz PHHVVVOXXXKRDC-IBGZPJMESA-N 1 2 340.423 3.655 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000556620463 1123062893 /nfs/dbraw/zinc/06/28/93/1123062893.db2.gz HVDCEBZCIADGPA-MOPGFXCFSA-N 1 2 348.450 3.717 20 0 EHADLO CCCC1CCC(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000445265137 1123119439 /nfs/dbraw/zinc/11/94/39/1123119439.db2.gz QVXBQBDPGHEMRM-CGZBRXJRSA-N 1 2 332.492 3.668 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000072604257 1123127763 /nfs/dbraw/zinc/12/77/63/1123127763.db2.gz XVWLBMYWITUETO-UHFFFAOYSA-N 1 2 337.423 3.549 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000411297956 1123130098 /nfs/dbraw/zinc/13/00/98/1123130098.db2.gz ITJYOBIDDJOFHJ-USXIJHARSA-N 1 2 329.444 3.791 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000411297956 1123130100 /nfs/dbraw/zinc/13/01/00/1123130100.db2.gz ITJYOBIDDJOFHJ-USXIJHARSA-N 1 2 329.444 3.791 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3cc(F)ccc3[nH]2)n1 ZINC000919757587 1123142852 /nfs/dbraw/zinc/14/28/52/1123142852.db2.gz XTVCGQAIKGPAKD-UHFFFAOYSA-N 1 2 346.431 3.858 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)nc(Cl)c1 ZINC000919833285 1123174012 /nfs/dbraw/zinc/17/40/12/1123174012.db2.gz BPKRFWUFFVOXED-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000072905382 1123174921 /nfs/dbraw/zinc/17/49/21/1123174921.db2.gz YHJILFHKWPEQRS-ZBFHGGJFSA-N 1 2 328.412 3.700 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000072905382 1123174923 /nfs/dbraw/zinc/17/49/23/1123174923.db2.gz YHJILFHKWPEQRS-ZBFHGGJFSA-N 1 2 328.412 3.700 20 0 EHADLO O=C(Nc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000073120339 1123187954 /nfs/dbraw/zinc/18/79/54/1123187954.db2.gz ASCFFEQXZBKASN-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000132025891 1123195960 /nfs/dbraw/zinc/19/59/60/1123195960.db2.gz JBGDEIGNMFFVCT-HZPDHXFCSA-N 1 2 328.481 3.757 20 0 EHADLO CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921978 1123211146 /nfs/dbraw/zinc/21/11/46/1123211146.db2.gz ZSOZIEDFBZPYLR-PWIZWCRZSA-N 1 2 344.499 3.632 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000132321293 1123219365 /nfs/dbraw/zinc/21/93/65/1123219365.db2.gz YGFVMKNOPFUZAP-LPHOPBHVSA-N 1 2 340.471 3.892 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466021709 1129106968 /nfs/dbraw/zinc/10/69/68/1129106968.db2.gz LGIBSJHMUFGLHX-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1c2ccccc2sc1C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000074340959 1123294411 /nfs/dbraw/zinc/29/44/11/1123294411.db2.gz FITVMJHSBGRJAZ-UHFFFAOYSA-N 1 2 329.450 3.865 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000609312861 1123318628 /nfs/dbraw/zinc/31/86/28/1123318628.db2.gz NSQLGKMFEWZNJG-UHFFFAOYSA-N 1 2 336.366 3.676 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000609312861 1123318633 /nfs/dbraw/zinc/31/86/33/1123318633.db2.gz NSQLGKMFEWZNJG-UHFFFAOYSA-N 1 2 336.366 3.676 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1C ZINC000132976662 1123324711 /nfs/dbraw/zinc/32/47/11/1123324711.db2.gz OJTBVKLGVRZQLV-XLIONFOSSA-N 1 2 337.467 3.816 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=S)s1 ZINC000920304608 1123352751 /nfs/dbraw/zinc/35/27/51/1123352751.db2.gz YTQQRPCCQYEWMT-YNEHKIRRSA-N 1 2 327.519 3.931 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=S)s1 ZINC000920304608 1123352755 /nfs/dbraw/zinc/35/27/55/1123352755.db2.gz YTQQRPCCQYEWMT-YNEHKIRRSA-N 1 2 327.519 3.931 20 0 EHADLO CCCc1noc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000075863284 1123434054 /nfs/dbraw/zinc/43/40/54/1123434054.db2.gz NPEZBZRMUNGSOG-CQSZACIVSA-N 1 2 348.878 3.554 20 0 EHADLO C[C@@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875579 1123434654 /nfs/dbraw/zinc/43/46/54/1123434654.db2.gz PWYKBHYRXRONPY-IIAWOOMASA-N 1 2 344.484 3.517 20 0 EHADLO C[C@H](NC(=O)NC(C)(C)/C=C\Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000920876022 1123434924 /nfs/dbraw/zinc/43/49/24/1123434924.db2.gz UTWSBULZJDZCBT-WSROAFLRSA-N 1 2 332.835 3.764 20 0 EHADLO COc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1OC1CCCC1 ZINC000920927292 1123437585 /nfs/dbraw/zinc/43/75/85/1123437585.db2.gz YBZDHLNRCWMMSX-UHFFFAOYSA-N 1 2 343.427 3.632 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000921126894 1123469301 /nfs/dbraw/zinc/46/93/01/1123469301.db2.gz RIUNYUOADATXEQ-FQEVSTJZSA-N 1 2 325.456 3.665 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2cc(Cl)cn2)CC1 ZINC000921185433 1123480020 /nfs/dbraw/zinc/48/00/20/1123480020.db2.gz MMZHJURYFFSKNH-ZDUSSCGKSA-N 1 2 339.270 3.526 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000134156725 1123496390 /nfs/dbraw/zinc/49/63/90/1123496390.db2.gz IFFDIXWUFGOBRW-HKUYNNGSSA-N 1 2 339.483 3.807 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000134157076 1123496637 /nfs/dbraw/zinc/49/66/37/1123496637.db2.gz IFFDIXWUFGOBRW-PKOBYXMFSA-N 1 2 339.483 3.807 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000134359503 1123518432 /nfs/dbraw/zinc/51/84/32/1123518432.db2.gz ZMEBFSHQYDLTEG-GFCCVEGCSA-N 1 2 327.334 3.893 20 0 EHADLO CCc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)oc1CC ZINC000135040704 1123576896 /nfs/dbraw/zinc/57/68/96/1123576896.db2.gz XJWKHCASWQQIAZ-UHFFFAOYSA-N 1 2 341.455 3.720 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2ccc(I)cc2)[C@@H]1C ZINC000135401448 1123608850 /nfs/dbraw/zinc/60/88/50/1123608850.db2.gz RHXFCJFZONKSLL-GHMZBOCLSA-N 1 2 347.265 3.617 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2ccc(I)cc2)[C@@H]1C ZINC000135401448 1123608853 /nfs/dbraw/zinc/60/88/53/1123608853.db2.gz RHXFCJFZONKSLL-GHMZBOCLSA-N 1 2 347.265 3.617 20 0 EHADLO Cc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(F)c1 ZINC000175252297 1123638911 /nfs/dbraw/zinc/63/89/11/1123638911.db2.gz MJFCUSHURJWSMJ-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800762 1123664501 /nfs/dbraw/zinc/66/45/01/1123664501.db2.gz RTPOARMITRMDKJ-QZTJIDSGSA-N 1 2 327.449 3.691 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800762 1123664505 /nfs/dbraw/zinc/66/45/05/1123664505.db2.gz RTPOARMITRMDKJ-QZTJIDSGSA-N 1 2 327.449 3.691 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000136163966 1123673627 /nfs/dbraw/zinc/67/36/27/1123673627.db2.gz JFIWMZQOZNSCQB-UXHICEINSA-N 1 2 345.446 3.957 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000195646296 1123697828 /nfs/dbraw/zinc/69/78/28/1123697828.db2.gz KVQNHDORYWXYEJ-RMKNXTFCSA-N 1 2 346.474 3.647 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1csc(C2CC2)n1)c1ccccc1 ZINC000136503413 1123701011 /nfs/dbraw/zinc/70/10/11/1123701011.db2.gz MBBMVYWBDPCUNB-WBMJQRKESA-N 1 2 330.453 3.661 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000615335195 1123782697 /nfs/dbraw/zinc/78/26/97/1123782697.db2.gz PNUFOFGLMVXDJI-GJZGRUSLSA-N 1 2 346.421 3.671 20 0 EHADLO CC(C)C(CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C(C)C ZINC000922139488 1129145965 /nfs/dbraw/zinc/14/59/65/1129145965.db2.gz JSSASPSSIVQHLL-UHFFFAOYSA-N 1 2 332.492 3.596 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245463326 1123839364 /nfs/dbraw/zinc/83/93/64/1123839364.db2.gz XHUYISONYFXSGM-SWLSCSKDSA-N 1 2 337.261 3.652 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245463326 1123839367 /nfs/dbraw/zinc/83/93/67/1123839367.db2.gz XHUYISONYFXSGM-SWLSCSKDSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081575049 1123848809 /nfs/dbraw/zinc/84/88/09/1123848809.db2.gz AKSFFYTWLZRXGJ-VBHSOAQHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081575049 1123848811 /nfs/dbraw/zinc/84/88/11/1123848811.db2.gz AKSFFYTWLZRXGJ-VBHSOAQHSA-N 1 2 330.378 3.985 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cscc1Br)[NH+]1CCCCC1 ZINC000615729261 1123864681 /nfs/dbraw/zinc/86/46/81/1123864681.db2.gz BQKUXBLJTQFOMK-ZDUSSCGKSA-N 1 2 345.306 3.960 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179895275 1123883741 /nfs/dbraw/zinc/88/37/41/1123883741.db2.gz FPODNSBSQLINOB-OAHLLOKOSA-N 1 2 334.423 3.874 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000245644353 1123907660 /nfs/dbraw/zinc/90/76/60/1123907660.db2.gz BUUDKIQDAODERR-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000245644353 1123907663 /nfs/dbraw/zinc/90/76/63/1123907663.db2.gz BUUDKIQDAODERR-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000763471949 1123912411 /nfs/dbraw/zinc/91/24/11/1123912411.db2.gz YLOPVNXMTNYGBG-UHFFFAOYSA-N 1 2 345.402 3.743 20 0 EHADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328146 1123982389 /nfs/dbraw/zinc/98/23/89/1123982389.db2.gz HECCHLUEODFRAQ-CEXWTWQISA-N 1 2 337.467 3.630 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(F)cc1Cl ZINC000246133016 1124029413 /nfs/dbraw/zinc/02/94/13/1124029413.db2.gz MPEFZJMNZSUUHG-CABCVRRESA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(F)cc1Cl ZINC000246133016 1124029418 /nfs/dbraw/zinc/02/94/18/1124029418.db2.gz MPEFZJMNZSUUHG-CABCVRRESA-N 1 2 342.867 3.778 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000180645524 1124037541 /nfs/dbraw/zinc/03/75/41/1124037541.db2.gz KSMJETUHKNMIGH-CXAGYDPISA-N 1 2 344.459 3.635 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)CCC(C)C)c(=S)n2C)cc1 ZINC000068961186 1124077316 /nfs/dbraw/zinc/07/73/16/1124077316.db2.gz VYAGGVMPBVTGHC-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)CCC(C)C)c(=S)n2C)cc1 ZINC000068961186 1124077318 /nfs/dbraw/zinc/07/73/18/1124077318.db2.gz VYAGGVMPBVTGHC-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cncc2c1CCCC2 ZINC000617099708 1124084124 /nfs/dbraw/zinc/08/41/24/1124084124.db2.gz DFUOSTASOUBZTL-SFHVURJKSA-N 1 2 346.434 3.844 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000543060112 1129172268 /nfs/dbraw/zinc/17/22/68/1129172268.db2.gz WYUBQLFCEXIPDM-INIZCTEOSA-N 1 2 338.451 3.667 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000543060112 1129172272 /nfs/dbraw/zinc/17/22/72/1129172272.db2.gz WYUBQLFCEXIPDM-INIZCTEOSA-N 1 2 338.451 3.667 20 0 EHADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)c2ccccc21 ZINC000673077200 1129172836 /nfs/dbraw/zinc/17/28/36/1129172836.db2.gz AZTJLSZMVDOZGN-GFCCVEGCSA-N 1 2 327.815 3.647 20 0 EHADLO O=C(Oc1c(F)c(F)cc(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181031819 1124489790 /nfs/dbraw/zinc/48/97/90/1124489790.db2.gz ZQNOUDQBTZLPRJ-UHFFFAOYSA-N 1 2 336.244 3.648 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000246507600 1124492671 /nfs/dbraw/zinc/49/26/71/1124492671.db2.gz FHLAMDZRYHNBTJ-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000246507600 1124492675 /nfs/dbraw/zinc/49/26/75/1124492675.db2.gz FHLAMDZRYHNBTJ-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000246903514 1124563513 /nfs/dbraw/zinc/56/35/13/1124563513.db2.gz ROLPHPFKSFFJNH-XHSDSOJGSA-N 1 2 339.483 3.704 20 0 EHADLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000246903514 1124563520 /nfs/dbraw/zinc/56/35/20/1124563520.db2.gz ROLPHPFKSFFJNH-XHSDSOJGSA-N 1 2 339.483 3.704 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000246971836 1124573127 /nfs/dbraw/zinc/57/31/27/1124573127.db2.gz VLRWIXHGIREYSN-YOEHRIQHSA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000246971836 1124573134 /nfs/dbraw/zinc/57/31/34/1124573134.db2.gz VLRWIXHGIREYSN-YOEHRIQHSA-N 1 2 334.485 3.624 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617514284 1124618790 /nfs/dbraw/zinc/61/87/90/1124618790.db2.gz OUGGMHGYWCKPGG-IFXJQAMLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617514284 1124618794 /nfs/dbraw/zinc/61/87/94/1124618794.db2.gz OUGGMHGYWCKPGG-IFXJQAMLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000617516049 1124620967 /nfs/dbraw/zinc/62/09/67/1124620967.db2.gz RFFQEDZRTCMCRK-SFHVURJKSA-N 1 2 331.847 3.550 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC12CCCCCC2 ZINC000827993873 1124679921 /nfs/dbraw/zinc/67/99/21/1124679921.db2.gz LIWQYEBLGVZUKF-SJLPKXTDSA-N 1 2 329.488 3.653 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000248728198 1124693317 /nfs/dbraw/zinc/69/33/17/1124693317.db2.gz JFXURUMZSAYMMF-IXDOHACOSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000248728198 1124693319 /nfs/dbraw/zinc/69/33/19/1124693319.db2.gz JFXURUMZSAYMMF-IXDOHACOSA-N 1 2 344.282 3.804 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249435221 1124756103 /nfs/dbraw/zinc/75/61/03/1124756103.db2.gz KPOQZSQWAXZTBM-KALAIVBUSA-N 1 2 344.499 3.917 20 0 EHADLO FC(F)(F)Cn1cc(C[NH+]2CC(c3cccc(Cl)c3)C2)cn1 ZINC000449556761 1125010478 /nfs/dbraw/zinc/01/04/78/1125010478.db2.gz OIEAZQYTZWVFTO-UHFFFAOYSA-N 1 2 329.753 3.698 20 0 EHADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1occc1Br ZINC000735321591 1131331434 /nfs/dbraw/zinc/33/14/34/1131331434.db2.gz XQKMKCKZGNXQMX-LBPRGKRZSA-N 1 2 338.201 3.664 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1Cl ZINC000253371496 1125152461 /nfs/dbraw/zinc/15/24/61/1125152461.db2.gz BLJOYDZSDJNDDP-ZDUSSCGKSA-N 1 2 336.888 3.581 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+](C)Cc1ccccc1Cl ZINC000253371496 1125152465 /nfs/dbraw/zinc/15/24/65/1125152465.db2.gz BLJOYDZSDJNDDP-ZDUSSCGKSA-N 1 2 336.888 3.581 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093178287 1125197306 /nfs/dbraw/zinc/19/73/06/1125197306.db2.gz SQNXDHJLAMOOJN-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093178287 1125197308 /nfs/dbraw/zinc/19/73/08/1125197308.db2.gz SQNXDHJLAMOOJN-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)/C=C/C3CCCCC3)c2)CC1 ZINC000735431437 1131345595 /nfs/dbraw/zinc/34/55/95/1131345595.db2.gz FAXSHWUILANSDR-ZHACJKMWSA-N 1 2 341.499 3.509 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000093760314 1125303724 /nfs/dbraw/zinc/30/37/24/1125303724.db2.gz NRTPAIDDJBXQSC-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000093760314 1125303729 /nfs/dbraw/zinc/30/37/29/1125303729.db2.gz NRTPAIDDJBXQSC-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccccc2OC(F)F)cc1 ZINC000735488532 1131349998 /nfs/dbraw/zinc/34/99/98/1131349998.db2.gz SUVCYRRTNKTKMZ-UHFFFAOYSA-N 1 2 336.338 3.538 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C\c2ccc(F)cc2)c1C ZINC000254972192 1125357267 /nfs/dbraw/zinc/35/72/67/1125357267.db2.gz VVRFRVJOSXSQFO-WAYWQWQTSA-N 1 2 342.414 3.908 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000619705611 1125385056 /nfs/dbraw/zinc/38/50/56/1125385056.db2.gz VBPVVCZEEKWIJU-MELADBBJSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000619705611 1125385057 /nfs/dbraw/zinc/38/50/57/1125385057.db2.gz VBPVVCZEEKWIJU-MELADBBJSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C)cc1 ZINC000152828177 1125385539 /nfs/dbraw/zinc/38/55/39/1125385539.db2.gz RLDKMGXHZYXNCP-MJGOQNOKSA-N 1 2 337.467 3.669 20 0 EHADLO CCCCNC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000183044599 1125423754 /nfs/dbraw/zinc/42/37/54/1125423754.db2.gz QHWZLZCFAREBAN-UHFFFAOYSA-N 1 2 346.858 3.865 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000619953193 1125443162 /nfs/dbraw/zinc/44/31/62/1125443162.db2.gz OTHVBFDIQARJNJ-CPUCHLNUSA-N 1 2 338.879 3.721 20 0 EHADLO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466109182 1129205255 /nfs/dbraw/zinc/20/52/55/1129205255.db2.gz XXHIKZBEBPRKCH-QZTJIDSGSA-N 1 2 347.528 3.544 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000682534696 1129220043 /nfs/dbraw/zinc/22/00/43/1129220043.db2.gz VOPMNBFZCPTAKV-WTGUMLROSA-N 1 2 349.478 3.630 20 0 EHADLO CC1(C)C[N@H+](Cc2cn3cccc(F)c3n2)CC[C@@H]1C(F)(F)F ZINC000682999714 1129258020 /nfs/dbraw/zinc/25/80/20/1129258020.db2.gz QUVPPNRTQZCVMB-ZDUSSCGKSA-N 1 2 329.341 3.884 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn3cccc(F)c3n2)CC[C@@H]1C(F)(F)F ZINC000682999714 1129258022 /nfs/dbraw/zinc/25/80/22/1129258022.db2.gz QUVPPNRTQZCVMB-ZDUSSCGKSA-N 1 2 329.341 3.884 20 0 EHADLO CC1(C)C[N@H+](Cc2cn3cccc(F)c3n2)CC[C@H]1C(F)(F)F ZINC000682999712 1129258164 /nfs/dbraw/zinc/25/81/64/1129258164.db2.gz QUVPPNRTQZCVMB-CYBMUJFWSA-N 1 2 329.341 3.884 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn3cccc(F)c3n2)CC[C@H]1C(F)(F)F ZINC000682999712 1129258167 /nfs/dbraw/zinc/25/81/67/1129258167.db2.gz QUVPPNRTQZCVMB-CYBMUJFWSA-N 1 2 329.341 3.884 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(O)cc3)n2)ccc1F ZINC000682999734 1129258304 /nfs/dbraw/zinc/25/83/04/1129258304.db2.gz QHDZOXYQOMFIQY-LBPRGKRZSA-N 1 2 327.359 3.741 20 0 EHADLO CC[C@@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000080548941 1129363934 /nfs/dbraw/zinc/36/39/34/1129363934.db2.gz ALPWIBSCCXSVDO-SJLPKXTDSA-N 1 2 340.471 3.536 20 0 EHADLO CC[C@@H]1C[C@H](C)CN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548873 1129364242 /nfs/dbraw/zinc/36/42/42/1129364242.db2.gz HUHLOODQLKHAFD-JQHSSLGASA-N 1 2 340.471 3.534 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000157940874 1129408679 /nfs/dbraw/zinc/40/86/79/1129408679.db2.gz KXMQDRZEOSYNCE-UHFFFAOYSA-N 1 2 338.238 3.950 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000657674046 1129459548 /nfs/dbraw/zinc/45/95/48/1129459548.db2.gz XKJVORLITJLSJT-ZDUSSCGKSA-N 1 2 348.418 3.705 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000338843974 1129460649 /nfs/dbraw/zinc/46/06/49/1129460649.db2.gz JJGXGALAVRDGLI-UHFFFAOYSA-N 1 2 348.450 3.688 20 0 EHADLO C[C@@H]1Cc2cc(C[NH2+]Cc3noc4c3CC(C)(C)CC4)ccc2O1 ZINC000922324175 1129467533 /nfs/dbraw/zinc/46/75/33/1129467533.db2.gz RQCXEXKRKIRKAG-CYBMUJFWSA-N 1 2 326.440 3.803 20 0 EHADLO Oc1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1Br ZINC000922464939 1129542604 /nfs/dbraw/zinc/54/26/04/1129542604.db2.gz ULKFQECNXVGWRQ-UHFFFAOYSA-N 1 2 347.256 3.718 20 0 EHADLO Cc1cc(F)c(CNCc2nc(C[NH+](C)C)cs2)c(Cl)c1 ZINC000922486700 1129549489 /nfs/dbraw/zinc/54/94/89/1129549489.db2.gz KCLFYEUGUAYTDH-UHFFFAOYSA-N 1 2 327.856 3.595 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(C)c1OC ZINC000922521219 1129561110 /nfs/dbraw/zinc/56/11/10/1129561110.db2.gz IOGCNDJZEPFHEQ-CRAIPNDOSA-N 1 2 331.387 3.574 20 0 EHADLO Brc1c[nH]c(CNc2[nH+]c3ccccc3n2CC2CC2)n1 ZINC000922558678 1129569729 /nfs/dbraw/zinc/56/97/29/1129569729.db2.gz DNIZGNQMBYXLTK-UHFFFAOYSA-N 1 2 346.232 3.544 20 0 EHADLO Fc1ccc2ccc(C[NH2+][C@H](c3ncccn3)C3CC3)nc2c1F ZINC000922580173 1129579537 /nfs/dbraw/zinc/57/95/37/1129579537.db2.gz YLYRPWNJTHOXIR-KRWDZBQOSA-N 1 2 326.350 3.544 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000347723823 1129579943 /nfs/dbraw/zinc/57/99/43/1129579943.db2.gz SYAHPPDKGJCDCL-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000347723823 1129579946 /nfs/dbraw/zinc/57/99/46/1129579946.db2.gz SYAHPPDKGJCDCL-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OC ZINC000922583538 1129583470 /nfs/dbraw/zinc/58/34/70/1129583470.db2.gz UVCUNWGMAJXFIR-LJQANCHMSA-N 1 2 341.455 3.905 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1 ZINC001168729583 1129592403 /nfs/dbraw/zinc/59/24/03/1129592403.db2.gz IRFFTLVGNAOYLL-IBGZPJMESA-N 1 2 342.870 3.672 20 0 EHADLO Cn1cnc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000673605770 1129616646 /nfs/dbraw/zinc/61/66/46/1129616646.db2.gz HBPGFWILIXVKNX-GOSISDBHSA-N 1 2 326.831 3.542 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@](C)(CC(=O)OC)c2cccc(F)c2)o1 ZINC000428944532 1129627548 /nfs/dbraw/zinc/62/75/48/1129627548.db2.gz UDSNFEDQWYHGJW-LJQANCHMSA-N 1 2 348.418 3.643 20 0 EHADLO C[C@@H]1Cc2cc(C[NH2+]Cc3ncc(C(F)(F)F)s3)ccc2O1 ZINC000922702187 1129636459 /nfs/dbraw/zinc/63/64/59/1129636459.db2.gz XGXKXCFUGMOGKX-SECBINFHSA-N 1 2 328.359 3.775 20 0 EHADLO c1ccc2cc(NCc3cccc(C[NH+]4CCOCC4)c3)ncc2c1 ZINC000631064823 1129642150 /nfs/dbraw/zinc/64/21/50/1129642150.db2.gz OEJAJOXCMOGJKW-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021004 1129659790 /nfs/dbraw/zinc/65/97/90/1129659790.db2.gz DUHHHPAITOLMJG-WOJBJXKFSA-N 1 2 345.483 3.887 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021004 1129659793 /nfs/dbraw/zinc/65/97/93/1129659793.db2.gz DUHHHPAITOLMJG-WOJBJXKFSA-N 1 2 345.483 3.887 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(N(C)C)nc4ccccc43)ccc2[nH+]1 ZINC000347737971 1129673219 /nfs/dbraw/zinc/67/32/19/1129673219.db2.gz WILXOZGEGVKVOU-UHFFFAOYSA-N 1 2 345.406 3.509 20 0 EHADLO CCC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000429011198 1129692291 /nfs/dbraw/zinc/69/22/91/1129692291.db2.gz QSHKOLMZIHPZRL-INIZCTEOSA-N 1 2 347.503 3.520 20 0 EHADLO C[C@H](NC(=O)c1ccccc1NCc1c[nH+]cn1C)c1ccccc1 ZINC000347758236 1129693983 /nfs/dbraw/zinc/69/39/83/1129693983.db2.gz WSYLPVPJAPYZMF-HNNXBMFYSA-N 1 2 334.423 3.523 20 0 EHADLO COc1ccc(C[N@H+](Cc2cscn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282410114 1129720568 /nfs/dbraw/zinc/72/05/68/1129720568.db2.gz IKJAJWHCJRALSO-ZDUSSCGKSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cscn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282410114 1129720571 /nfs/dbraw/zinc/72/05/71/1129720571.db2.gz IKJAJWHCJRALSO-ZDUSSCGKSA-N 1 2 332.469 3.961 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000625120482 1129738486 /nfs/dbraw/zinc/73/84/86/1129738486.db2.gz URMNFHHCSXIZPV-HKUYNNGSSA-N 1 2 341.455 3.937 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000625120482 1129738488 /nfs/dbraw/zinc/73/84/88/1129738488.db2.gz URMNFHHCSXIZPV-HKUYNNGSSA-N 1 2 341.455 3.937 20 0 EHADLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625199728 1129759457 /nfs/dbraw/zinc/75/94/57/1129759457.db2.gz JUEWTDUAJMMVKT-UHFFFAOYSA-N 1 2 328.309 3.764 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625242345 1129782418 /nfs/dbraw/zinc/78/24/18/1129782418.db2.gz VABZSXDCBQEELQ-HNNXBMFYSA-N 1 2 337.423 3.598 20 0 EHADLO O=C(CCc1ccc(Cl)c(F)c1)NCCCCNc1cccc[nH+]1 ZINC000625276437 1129799271 /nfs/dbraw/zinc/79/92/71/1129799271.db2.gz NJLHMRAECVEFPH-UHFFFAOYSA-N 1 2 349.837 3.815 20 0 EHADLO C[N@H+](CCSc1ccc(Cl)cc1)Cc1nnc2ccccn21 ZINC000673712150 1129807252 /nfs/dbraw/zinc/80/72/52/1129807252.db2.gz LKAPHBRXIQNANQ-UHFFFAOYSA-N 1 2 332.860 3.607 20 0 EHADLO C[N@@H+](CCSc1ccc(Cl)cc1)Cc1nnc2ccccn21 ZINC000673712150 1129807258 /nfs/dbraw/zinc/80/72/58/1129807258.db2.gz LKAPHBRXIQNANQ-UHFFFAOYSA-N 1 2 332.860 3.607 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C(C)(C)Cc3ccccc3)[nH+]c12 ZINC000673724688 1129811723 /nfs/dbraw/zinc/81/17/23/1129811723.db2.gz OJNUZBZPPVCYLU-UHFFFAOYSA-N 1 2 335.451 3.570 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cccc2[nH+]ccn21 ZINC000766021188 1129816029 /nfs/dbraw/zinc/81/60/29/1129816029.db2.gz AYJDNHSVVPPYJS-UHFFFAOYSA-N 1 2 343.789 3.588 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000455082339 1129819817 /nfs/dbraw/zinc/81/98/17/1129819817.db2.gz RPAWOUQZLAMQHM-SQNIBIBYSA-N 1 2 344.503 3.526 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3csc4c3CCCC4)[nH+]c12 ZINC000673746899 1129826272 /nfs/dbraw/zinc/82/62/72/1129826272.db2.gz DDYOPVGYEMIEGR-UHFFFAOYSA-N 1 2 339.464 3.556 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429119710 1129828439 /nfs/dbraw/zinc/82/84/39/1129828439.db2.gz YZJTUHHDCRKWKV-NVXWUHKLSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429119710 1129828442 /nfs/dbraw/zinc/82/84/42/1129828442.db2.gz YZJTUHHDCRKWKV-NVXWUHKLSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429119711 1129828621 /nfs/dbraw/zinc/82/86/21/1129828621.db2.gz YZJTUHHDCRKWKV-RDJZCZTQSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429119711 1129828627 /nfs/dbraw/zinc/82/86/27/1129828627.db2.gz YZJTUHHDCRKWKV-RDJZCZTQSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000673758605 1129834583 /nfs/dbraw/zinc/83/45/83/1129834583.db2.gz QSVLRDUDQJSKMS-UHFFFAOYSA-N 1 2 336.439 3.932 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000347808019 1129841858 /nfs/dbraw/zinc/84/18/58/1129841858.db2.gz QIWKTRJEZSZNLB-UHFFFAOYSA-N 1 2 330.775 3.531 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673781359 1129842748 /nfs/dbraw/zinc/84/27/48/1129842748.db2.gz UBMIFCGPGJGTBM-QAPCUYQASA-N 1 2 342.487 3.795 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673776690 1129844100 /nfs/dbraw/zinc/84/41/00/1129844100.db2.gz KGVCZKPZXUZYFP-FQEVSTJZSA-N 1 2 342.487 3.797 20 0 EHADLO CCN(CC)c1ncc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000347824349 1129886558 /nfs/dbraw/zinc/88/65/58/1129886558.db2.gz YHMRIOYIMVTKDT-UHFFFAOYSA-N 1 2 331.489 3.597 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cn[nH]c1 ZINC000673927067 1129908932 /nfs/dbraw/zinc/90/89/32/1129908932.db2.gz KJPCGZVQPFPZIL-OAHLLOKOSA-N 1 2 334.423 3.536 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927067 1129908934 /nfs/dbraw/zinc/90/89/34/1129908934.db2.gz KJPCGZVQPFPZIL-OAHLLOKOSA-N 1 2 334.423 3.536 20 0 EHADLO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466570944 1129934274 /nfs/dbraw/zinc/93/42/74/1129934274.db2.gz YYBHKKZUZDQUHD-HKUYNNGSSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012996 1129959574 /nfs/dbraw/zinc/95/95/74/1129959574.db2.gz IUYBMBBABGNHTB-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012996 1129959576 /nfs/dbraw/zinc/95/95/76/1129959576.db2.gz IUYBMBBABGNHTB-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nnc1C1CCC1 ZINC000625655391 1129967249 /nfs/dbraw/zinc/96/72/49/1129967249.db2.gz GGWLJSJKPXRFHZ-OAHLLOKOSA-N 1 2 346.425 3.740 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nnc1C1CCC1 ZINC000625655391 1129967253 /nfs/dbraw/zinc/96/72/53/1129967253.db2.gz GGWLJSJKPXRFHZ-OAHLLOKOSA-N 1 2 346.425 3.740 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)C1CCCC1 ZINC000674097431 1130003193 /nfs/dbraw/zinc/00/31/93/1130003193.db2.gz BQKAIYAIRJOTQD-QGZVFWFLSA-N 1 2 343.515 3.973 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1cccc(F)c1 ZINC000171049618 1130004869 /nfs/dbraw/zinc/00/48/69/1130004869.db2.gz FKBLJZYCNTYVRL-FQEVSTJZSA-N 1 2 349.409 3.714 20 0 EHADLO Cc1cc(N2CCC(Oc3cccc(F)c3)CC2)nc(C2CC2)[nH+]1 ZINC000528086018 1130013530 /nfs/dbraw/zinc/01/35/30/1130013530.db2.gz PEFGMQLVWMTXSE-UHFFFAOYSA-N 1 2 327.403 3.849 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1cc2ccccc2o1 ZINC000171639403 1130075013 /nfs/dbraw/zinc/07/50/13/1130075013.db2.gz BJSPBGVZUZSWSI-UHFFFAOYSA-N 1 2 338.411 3.519 20 0 EHADLO C[C@@H](OCC1CC1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000140927828 1130098636 /nfs/dbraw/zinc/09/86/36/1130098636.db2.gz JCMDLMGOWBPGSP-CQSZACIVSA-N 1 2 339.439 3.640 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cn3ccc(-c4nccs4)n3)CC2)cc1 ZINC000766068613 1130191609 /nfs/dbraw/zinc/19/16/09/1130191609.db2.gz PIWFDGPKGOUFMY-UHFFFAOYSA-N 1 2 340.427 3.893 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cn3ccc(-c4nccs4)n3)CC2)cc1 ZINC000766068613 1130191612 /nfs/dbraw/zinc/19/16/12/1130191612.db2.gz PIWFDGPKGOUFMY-UHFFFAOYSA-N 1 2 340.427 3.893 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000674866182 1130211012 /nfs/dbraw/zinc/21/10/12/1130211012.db2.gz FGYMPWGRSJGVMF-TXEJJXNPSA-N 1 2 342.283 3.653 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000674866182 1130211018 /nfs/dbraw/zinc/21/10/18/1130211018.db2.gz FGYMPWGRSJGVMF-TXEJJXNPSA-N 1 2 342.283 3.653 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000674871228 1130213025 /nfs/dbraw/zinc/21/30/25/1130213025.db2.gz OEBNNQFKXKKEOL-OAHLLOKOSA-N 1 2 328.460 3.598 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000674871228 1130213033 /nfs/dbraw/zinc/21/30/33/1130213033.db2.gz OEBNNQFKXKKEOL-OAHLLOKOSA-N 1 2 328.460 3.598 20 0 EHADLO CCCCc1noc(C[N@@H+]2Cc3ccccc3N(C)C[C@H]2CC)n1 ZINC000674871424 1130213490 /nfs/dbraw/zinc/21/34/90/1130213490.db2.gz XTBQFAIIUCTCJU-MRXNPFEDSA-N 1 2 328.460 3.643 20 0 EHADLO CCCCc1noc(C[N@H+]2Cc3ccccc3N(C)C[C@H]2CC)n1 ZINC000674871424 1130213497 /nfs/dbraw/zinc/21/34/97/1130213497.db2.gz XTBQFAIIUCTCJU-MRXNPFEDSA-N 1 2 328.460 3.643 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674940340 1130227777 /nfs/dbraw/zinc/22/77/77/1130227777.db2.gz LRMZLWCTEZNPLL-BPQIPLTHSA-N 1 2 340.471 3.582 20 0 EHADLO CCn1c(C[NH2+][C@@H]2COc3c2cccc3Cl)nc2ccccc21 ZINC000675103892 1130253412 /nfs/dbraw/zinc/25/34/12/1130253412.db2.gz HJSCCBLXPGMUGD-OAHLLOKOSA-N 1 2 327.815 3.933 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133514 1130264051 /nfs/dbraw/zinc/26/40/51/1130264051.db2.gz CDSMTOHOOIISLV-FUHWJXTLSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133514 1130264053 /nfs/dbraw/zinc/26/40/53/1130264053.db2.gz CDSMTOHOOIISLV-FUHWJXTLSA-N 1 2 340.467 3.692 20 0 EHADLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ncnc2c1ncn2C ZINC000675155305 1130270094 /nfs/dbraw/zinc/27/00/94/1130270094.db2.gz KSPMJPQDZXUVFG-CQSZACIVSA-N 1 2 336.443 3.794 20 0 EHADLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ncnc2c1ncn2C ZINC000675155305 1130270098 /nfs/dbraw/zinc/27/00/98/1130270098.db2.gz KSPMJPQDZXUVFG-CQSZACIVSA-N 1 2 336.443 3.794 20 0 EHADLO CC[C@H]([NH2+]Cc1sc(C)cc1Br)c1ccn(C)n1 ZINC000658226373 1130286637 /nfs/dbraw/zinc/28/66/37/1130286637.db2.gz NQDCRNRVLGAUSK-NSHDSACASA-N 1 2 328.279 3.793 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H](CC(C)C)C3)[nH+]c12 ZINC000675245165 1130294007 /nfs/dbraw/zinc/29/40/07/1130294007.db2.gz BDFFAYCULRTJBW-KRWDZBQOSA-N 1 2 342.487 3.653 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000675270744 1130297483 /nfs/dbraw/zinc/29/74/83/1130297483.db2.gz PEDSXNURSWHHFX-RYQLBKOJSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(Cl)cc1F ZINC000675307174 1130306629 /nfs/dbraw/zinc/30/66/29/1130306629.db2.gz BJRRJDNIGQPHBP-UHFFFAOYSA-N 1 2 332.806 3.533 20 0 EHADLO CCCC1(CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675320917 1130308642 /nfs/dbraw/zinc/30/86/42/1130308642.db2.gz WCTGNEMTECQFTN-KRWDZBQOSA-N 1 2 340.471 3.583 20 0 EHADLO CC(C)(CCNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000675553596 1130423059 /nfs/dbraw/zinc/42/30/59/1130423059.db2.gz JXMRXEYLDNQBHA-UHFFFAOYSA-N 1 2 336.439 3.501 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000727824209 1130601581 /nfs/dbraw/zinc/60/15/81/1130601581.db2.gz OHJVGVGWXSLXTK-CQSZACIVSA-N 1 2 329.473 3.643 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000727824209 1130601584 /nfs/dbraw/zinc/60/15/84/1130601584.db2.gz OHJVGVGWXSLXTK-CQSZACIVSA-N 1 2 329.473 3.643 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728042518 1130619718 /nfs/dbraw/zinc/61/97/18/1130619718.db2.gz LMLVRYQTZVPBCZ-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728042518 1130619720 /nfs/dbraw/zinc/61/97/20/1130619720.db2.gz LMLVRYQTZVPBCZ-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728044372 1130621155 /nfs/dbraw/zinc/62/11/55/1130621155.db2.gz VHMVNCUARKAFQI-CYBMUJFWSA-N 1 2 336.526 3.964 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728044372 1130621159 /nfs/dbraw/zinc/62/11/59/1130621159.db2.gz VHMVNCUARKAFQI-CYBMUJFWSA-N 1 2 336.526 3.964 20 0 EHADLO COc1ccncc1C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000287950480 1130632206 /nfs/dbraw/zinc/63/22/06/1130632206.db2.gz YACZMQLVLSPZFN-NSHDSACASA-N 1 2 332.354 3.686 20 0 EHADLO O=C(/C=C/Sc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000728167450 1130642632 /nfs/dbraw/zinc/64/26/32/1130642632.db2.gz YKPGZNPBRFDQMA-RIYZIHGNSA-N 1 2 344.505 3.698 20 0 EHADLO CCc1ccc(C[N@H+](C)Cn2nc(C)c(Br)c2C)cc1 ZINC000730098897 1130674339 /nfs/dbraw/zinc/67/43/39/1130674339.db2.gz VJPLZTIFFKLGAT-UHFFFAOYSA-N 1 2 336.277 3.914 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cn2nc(C)c(Br)c2C)cc1 ZINC000730098897 1130674344 /nfs/dbraw/zinc/67/43/44/1130674344.db2.gz VJPLZTIFFKLGAT-UHFFFAOYSA-N 1 2 336.277 3.914 20 0 EHADLO Fc1c(F)c(F)c(N2CC[NH+]([C@@H]3C=CCCC3)CC2)c(F)c1F ZINC000731210259 1130776879 /nfs/dbraw/zinc/77/68/79/1130776879.db2.gz HNCHVZWVJNHEIQ-SNVBAGLBSA-N 1 2 332.316 3.613 20 0 EHADLO Cc1cn2cc(NC(=O)NCCSCc3ccccc3)ccc2[nH+]1 ZINC000731898583 1130858916 /nfs/dbraw/zinc/85/89/16/1130858916.db2.gz OPHAIXUMTKYPEO-UHFFFAOYSA-N 1 2 340.452 3.698 20 0 EHADLO CC(C)c1ocnc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000731991003 1130876686 /nfs/dbraw/zinc/87/66/86/1130876686.db2.gz LKIDVIWTBSOVMN-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO CCC/C(C)=C/C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732138890 1130890349 /nfs/dbraw/zinc/89/03/49/1130890349.db2.gz RIZDJYYXKROOQZ-ATGUSINASA-N 1 2 336.426 3.792 20 0 EHADLO CCC/C(C)=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732138890 1130890356 /nfs/dbraw/zinc/89/03/56/1130890356.db2.gz RIZDJYYXKROOQZ-ATGUSINASA-N 1 2 336.426 3.792 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2ccccc2[nH]c1=O ZINC000732197651 1130893766 /nfs/dbraw/zinc/89/37/66/1130893766.db2.gz KLONMNHWKXKBHQ-UHFFFAOYSA-N 1 2 344.418 3.758 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2ccccc2[nH]c1=O ZINC000732197651 1130893770 /nfs/dbraw/zinc/89/37/70/1130893770.db2.gz KLONMNHWKXKBHQ-UHFFFAOYSA-N 1 2 344.418 3.758 20 0 EHADLO CCCCn1c2ccccc2n(C[N@H+](C)CCn2cccn2)c1=S ZINC000732185758 1130894971 /nfs/dbraw/zinc/89/49/71/1130894971.db2.gz FDQURPKVGXYKLO-UHFFFAOYSA-N 1 2 343.500 3.758 20 0 EHADLO CCCCn1c2ccccc2n(C[N@@H+](C)CCn2cccn2)c1=S ZINC000732185758 1130894977 /nfs/dbraw/zinc/89/49/77/1130894977.db2.gz FDQURPKVGXYKLO-UHFFFAOYSA-N 1 2 343.500 3.758 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1C ZINC000732209580 1130896681 /nfs/dbraw/zinc/89/66/81/1130896681.db2.gz NFLLXSRGJSEVAP-ZRGWGRIASA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1oc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1C ZINC000732209580 1130896683 /nfs/dbraw/zinc/89/66/83/1130896683.db2.gz NFLLXSRGJSEVAP-ZRGWGRIASA-N 1 2 343.423 3.725 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732554130 1130935367 /nfs/dbraw/zinc/93/53/67/1130935367.db2.gz YKRSMMDXHQWXBX-VQIMIIECSA-N 1 2 339.483 3.609 20 0 EHADLO Cc1ccc(C=CC(=O)Nc2cc[nH+]c(C)c2)c(Br)c1 ZINC000732767480 1130955081 /nfs/dbraw/zinc/95/50/81/1130955081.db2.gz HVZGLFHEMNSQGJ-WAYWQWQTSA-N 1 2 331.213 3.535 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000732989964 1130980185 /nfs/dbraw/zinc/98/01/85/1130980185.db2.gz YNQJJPUVSPPVJQ-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000732989964 1130980186 /nfs/dbraw/zinc/98/01/86/1130980186.db2.gz YNQJJPUVSPPVJQ-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199218 1131004134 /nfs/dbraw/zinc/00/41/34/1131004134.db2.gz OGKIEEPEYJUFRY-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199218 1131004140 /nfs/dbraw/zinc/00/41/40/1131004140.db2.gz OGKIEEPEYJUFRY-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000626093450 1131153449 /nfs/dbraw/zinc/15/34/49/1131153449.db2.gz BEYINWHDFPCUGI-DNVCBOLYSA-N 1 2 329.488 3.899 20 0 EHADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2sccc2C)oc1=S ZINC000738082876 1131460483 /nfs/dbraw/zinc/46/04/83/1131460483.db2.gz UVCLYOORKOTYQO-LBPRGKRZSA-N 1 2 339.486 3.558 20 0 EHADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2sccc2C)oc1=S ZINC000738082876 1131460486 /nfs/dbraw/zinc/46/04/86/1131460486.db2.gz UVCLYOORKOTYQO-LBPRGKRZSA-N 1 2 339.486 3.558 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000738448687 1131470698 /nfs/dbraw/zinc/47/06/98/1131470698.db2.gz LPRFGDPVAYMYFY-UHFFFAOYSA-N 1 2 337.533 3.718 20 0 EHADLO COc1ccc(CN(C(=O)Nc2ccc3[nH+]ccn3c2)C2CC2)cc1 ZINC000738951576 1131490626 /nfs/dbraw/zinc/49/06/26/1131490626.db2.gz YAMNHFQTPNNZJZ-UHFFFAOYSA-N 1 2 336.395 3.539 20 0 EHADLO C[C@H]1C[NH+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C[C@@H]1C ZINC000751929234 1131537396 /nfs/dbraw/zinc/53/73/96/1131537396.db2.gz PGLNZJAJULMCFY-RYUDHWBXSA-N 1 2 336.892 3.817 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)cc1OC ZINC000740861582 1131548963 /nfs/dbraw/zinc/54/89/63/1131548963.db2.gz XIPABOPLIKHUPR-NEPJUHHUSA-N 1 2 349.456 3.578 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)cc1OC ZINC000740861582 1131548967 /nfs/dbraw/zinc/54/89/67/1131548967.db2.gz XIPABOPLIKHUPR-NEPJUHHUSA-N 1 2 349.456 3.578 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000740881044 1131552896 /nfs/dbraw/zinc/55/28/96/1131552896.db2.gz GBKMNIOCVZBUNE-UONOGXRCSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000740881044 1131552899 /nfs/dbraw/zinc/55/28/99/1131552899.db2.gz GBKMNIOCVZBUNE-UONOGXRCSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)[C@H](OC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(=O)c1ccccc1 ZINC000741022180 1131570390 /nfs/dbraw/zinc/57/03/90/1131570390.db2.gz QTQOQQWTFGYEMV-JEWRLFTDSA-N 1 2 331.456 3.698 20 0 EHADLO CC(C)n1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000741353596 1131598170 /nfs/dbraw/zinc/59/81/70/1131598170.db2.gz PLTYXVVXWDHSJE-IBGZPJMESA-N 1 2 341.455 3.562 20 0 EHADLO CC(C)n1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000741353596 1131598172 /nfs/dbraw/zinc/59/81/72/1131598172.db2.gz PLTYXVVXWDHSJE-IBGZPJMESA-N 1 2 341.455 3.562 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000741680421 1131634587 /nfs/dbraw/zinc/63/45/87/1131634587.db2.gz AJPWALBTNKFHGK-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H](OC1CCCC1)c1ccccc1 ZINC000741740590 1131638956 /nfs/dbraw/zinc/63/89/56/1131638956.db2.gz UUMNMRDMQNZURA-IBGZPJMESA-N 1 2 335.407 3.973 20 0 EHADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000741780492 1131646168 /nfs/dbraw/zinc/64/61/68/1131646168.db2.gz XAFRJONLWOKCBQ-CYBMUJFWSA-N 1 2 338.517 3.962 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C=C3CCCCC3)CC2)cc1 ZINC000741982552 1131678365 /nfs/dbraw/zinc/67/83/65/1131678365.db2.gz WOLXAPADYFVWON-UHFFFAOYSA-N 1 2 341.499 3.728 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)c1C ZINC000742153611 1131693811 /nfs/dbraw/zinc/69/38/11/1131693811.db2.gz VVYDFJGZZKGBMP-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)c1C ZINC000742153611 1131693814 /nfs/dbraw/zinc/69/38/14/1131693814.db2.gz VVYDFJGZZKGBMP-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)c1C ZINC000742152691 1131693849 /nfs/dbraw/zinc/69/38/49/1131693849.db2.gz MERRDEUIXKCZSO-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)c1C ZINC000742152691 1131693852 /nfs/dbraw/zinc/69/38/52/1131693852.db2.gz MERRDEUIXKCZSO-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO CC[C@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1 ZINC000742238141 1131699731 /nfs/dbraw/zinc/69/97/31/1131699731.db2.gz UQJMOTQAPNHXNV-OAHLLOKOSA-N 1 2 338.442 3.758 20 0 EHADLO CC[C@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1 ZINC000742238141 1131699735 /nfs/dbraw/zinc/69/97/35/1131699735.db2.gz UQJMOTQAPNHXNV-OAHLLOKOSA-N 1 2 338.442 3.758 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4ccccc4)cn3)cc2)C1 ZINC001212664296 1131755419 /nfs/dbraw/zinc/75/54/19/1131755419.db2.gz GYQWNARXXHNBFC-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Oc4cccnc4)cc3)cc2)C1 ZINC001212669287 1131771691 /nfs/dbraw/zinc/77/16/91/1131771691.db2.gz PRAVYCWVSDWDHX-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@H](C)CCc2c(F)cc(Cl)cc2F)no1 ZINC001172570497 1131776598 /nfs/dbraw/zinc/77/65/98/1131776598.db2.gz IKGZGWTWZVBCEK-SECBINFHSA-N 1 2 329.778 3.763 20 0 EHADLO Cc1nc(C[N@H+](C)[C@H](C)CCc2c(F)cc(Cl)cc2F)no1 ZINC001172570497 1131776600 /nfs/dbraw/zinc/77/66/00/1131776600.db2.gz IKGZGWTWZVBCEK-SECBINFHSA-N 1 2 329.778 3.763 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(Oc4cccnc4)c3)cc2)C1 ZINC001212671994 1131787469 /nfs/dbraw/zinc/78/74/69/1131787469.db2.gz AGRXYNCULLVJDY-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000743023334 1131838578 /nfs/dbraw/zinc/83/85/78/1131838578.db2.gz WQSSXJGDLDDFRP-QGZVFWFLSA-N 1 2 342.512 3.501 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172854797 1131872056 /nfs/dbraw/zinc/87/20/56/1131872056.db2.gz RVUHCSCJFNDFDS-ACJLOTCBSA-N 1 2 349.833 3.784 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001172873521 1131891101 /nfs/dbraw/zinc/89/11/01/1131891101.db2.gz UGGPGCLVHFTMHC-UGSOOPFHSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001172873521 1131891108 /nfs/dbraw/zinc/89/11/08/1131891108.db2.gz UGGPGCLVHFTMHC-UGSOOPFHSA-N 1 2 334.822 3.879 20 0 EHADLO CCCCC[C@H](C)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000743328600 1131896465 /nfs/dbraw/zinc/89/64/65/1131896465.db2.gz NKRKIJVRVNHIGP-KRWDZBQOSA-N 1 2 332.488 3.643 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000743352480 1131897704 /nfs/dbraw/zinc/89/77/04/1131897704.db2.gz YRHOXTSQBGIXQT-UHFFFAOYSA-N 1 2 338.373 3.782 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000743352480 1131897710 /nfs/dbraw/zinc/89/77/10/1131897710.db2.gz YRHOXTSQBGIXQT-UHFFFAOYSA-N 1 2 338.373 3.782 20 0 EHADLO C[N@H+](CCOc1ccccc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743347188 1131905388 /nfs/dbraw/zinc/90/53/88/1131905388.db2.gz JVECCLUHZDUPSL-GOSISDBHSA-N 1 2 344.842 3.582 20 0 EHADLO C[N@@H+](CCOc1ccccc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743347188 1131905396 /nfs/dbraw/zinc/90/53/96/1131905396.db2.gz JVECCLUHZDUPSL-GOSISDBHSA-N 1 2 344.842 3.582 20 0 EHADLO CCc1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc(C)n1 ZINC001212691926 1131914164 /nfs/dbraw/zinc/91/41/64/1131914164.db2.gz RIUIVBPHTFOZGO-UHFFFAOYSA-N 1 2 331.379 3.855 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379296 1131914813 /nfs/dbraw/zinc/91/48/13/1131914813.db2.gz MQFRJGUWDHEZRQ-XJKSGUPXSA-N 1 2 333.407 3.501 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379296 1131914820 /nfs/dbraw/zinc/91/48/20/1131914820.db2.gz MQFRJGUWDHEZRQ-XJKSGUPXSA-N 1 2 333.407 3.501 20 0 EHADLO CC1(C)C(=O)NCc2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c21 ZINC001212699804 1131934763 /nfs/dbraw/zinc/93/47/63/1131934763.db2.gz FKVXJDINEQHJNJ-UHFFFAOYSA-N 1 2 346.434 3.582 20 0 EHADLO COC(=O)c1cc(F)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697818 1131936499 /nfs/dbraw/zinc/93/64/99/1131936499.db2.gz VIYRZYALDZRTRX-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO FC1(F)C[N@@H+](C2CCC3(CCOCC3)CC2)CC[C@H]1N1CCCC1 ZINC001173048973 1131942401 /nfs/dbraw/zinc/94/24/01/1131942401.db2.gz GWKFEKRNJXCSEG-QGZVFWFLSA-N 1 2 342.474 3.531 20 0 EHADLO FC1(F)C[N@H+](C2CCC3(CCOCC3)CC2)CC[C@H]1N1CCCC1 ZINC001173048973 1131942403 /nfs/dbraw/zinc/94/24/03/1131942403.db2.gz GWKFEKRNJXCSEG-QGZVFWFLSA-N 1 2 342.474 3.531 20 0 EHADLO FC1(F)CN(C2CCC3(CCOCC3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001173048973 1131942407 /nfs/dbraw/zinc/94/24/07/1131942407.db2.gz GWKFEKRNJXCSEG-QGZVFWFLSA-N 1 2 342.474 3.531 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173119565 1131973268 /nfs/dbraw/zinc/97/32/68/1131973268.db2.gz SVOHMUIOYAADAE-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173119565 1131973272 /nfs/dbraw/zinc/97/32/72/1131973272.db2.gz SVOHMUIOYAADAE-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2c(F)cccc2F)[C@@H](C)CO1 ZINC000743852876 1131985896 /nfs/dbraw/zinc/98/58/96/1131985896.db2.gz VYIYZEOYPPRRIF-KYNGSXCRSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2c(F)cccc2F)[C@@H](C)CO1 ZINC000743852876 1131985900 /nfs/dbraw/zinc/98/59/00/1131985900.db2.gz VYIYZEOYPPRRIF-KYNGSXCRSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1[C@@H](C)c1ccccc1 ZINC000744406723 1132090046 /nfs/dbraw/zinc/09/00/46/1132090046.db2.gz OEABGHQCYOVTQR-IRXDYDNUSA-N 1 2 342.483 3.600 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1[C@@H](C)c1ccccc1 ZINC000744406723 1132090055 /nfs/dbraw/zinc/09/00/55/1132090055.db2.gz OEABGHQCYOVTQR-IRXDYDNUSA-N 1 2 342.483 3.600 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000744432513 1132098012 /nfs/dbraw/zinc/09/80/12/1132098012.db2.gz ONFLCEKZJRATGB-HNNXBMFYSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000744432513 1132098021 /nfs/dbraw/zinc/09/80/21/1132098021.db2.gz ONFLCEKZJRATGB-HNNXBMFYSA-N 1 2 342.405 3.989 20 0 EHADLO CC(=O)Nc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001173975532 1132205111 /nfs/dbraw/zinc/20/51/11/1132205111.db2.gz FZMRLBJMNZCRRN-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO COc1ncc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001174034514 1132220308 /nfs/dbraw/zinc/22/03/08/1132220308.db2.gz YDMXMGYVAWYQCT-UHFFFAOYSA-N 1 2 331.173 3.540 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000745782836 1132315510 /nfs/dbraw/zinc/31/55/10/1132315510.db2.gz HWOJQDNTJWKROH-FQEVSTJZSA-N 1 2 340.471 3.984 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3cnc4[nH]ccc4c3)cn12 ZINC001174396082 1132331387 /nfs/dbraw/zinc/33/13/87/1132331387.db2.gz TYOIGKRAYQKEQV-UHFFFAOYSA-N 1 2 328.173 3.668 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3csc(N4CCOCC4)n3)ccc21 ZINC001174381434 1132343054 /nfs/dbraw/zinc/34/30/54/1132343054.db2.gz GHIDVQRVCBBCCS-UHFFFAOYSA-N 1 2 343.456 3.654 20 0 EHADLO CC1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCCC1 ZINC000183506953 1132381627 /nfs/dbraw/zinc/38/16/27/1132381627.db2.gz VQWJDZUKJWZABE-UHFFFAOYSA-N 1 2 344.503 3.710 20 0 EHADLO CNc1ncc2cc(Nc3ccc[nH+]c3N3CCCCC3)ccc2n1 ZINC001174532289 1132385662 /nfs/dbraw/zinc/38/56/62/1132385662.db2.gz FCIVPEAMBHPONN-UHFFFAOYSA-N 1 2 334.427 3.800 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(OC)c1 ZINC001174523851 1132400163 /nfs/dbraw/zinc/40/01/63/1132400163.db2.gz VONMJZDFSZACKQ-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO COC(=O)c1c(Nc2ccc(N3CCCCC3)[nH+]c2)cccc1OC ZINC001174523855 1132400666 /nfs/dbraw/zinc/40/06/66/1132400666.db2.gz VTACOYKVOJLOMW-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO CC(=O)N1CCc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc21 ZINC001174524458 1132401295 /nfs/dbraw/zinc/40/12/95/1132401295.db2.gz KSKNGWYJIMKIPG-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccc4c(c3)[nH+]cn4C)c(C)n2)cc1 ZINC001174578080 1132404647 /nfs/dbraw/zinc/40/46/47/1132404647.db2.gz LGUHJBZYEJRBTL-UHFFFAOYSA-N 1 2 347.422 3.879 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccn4cc[nH+]c4c3)c(C)n2)cc1 ZINC001174578370 1132406088 /nfs/dbraw/zinc/40/60/88/1132406088.db2.gz MLFOITVIZQDYIO-UHFFFAOYSA-N 1 2 333.395 3.640 20 0 EHADLO Brc1cc(Nc2cnc(C3CC3)nc2)c2[nH+]ccn2c1 ZINC001174611379 1132430052 /nfs/dbraw/zinc/43/00/52/1132430052.db2.gz SVROZEROSPYHMN-UHFFFAOYSA-N 1 2 330.189 3.508 20 0 EHADLO Cn1c2ccccc2nc1-c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000189335110 1132444786 /nfs/dbraw/zinc/44/47/86/1132444786.db2.gz GUCFKWGBFSBHSJ-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO Cn1c2ccccc2nc1-c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000189335110 1132444791 /nfs/dbraw/zinc/44/47/91/1132444791.db2.gz GUCFKWGBFSBHSJ-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO C=Cn1cc(-c2nn(C3CCCC3)c3nc[nH+]c(N)c23)cc2ccnc1-2 ZINC001174783172 1132463680 /nfs/dbraw/zinc/46/36/80/1132463680.db2.gz FFSBVVLFUUWOPP-UHFFFAOYSA-N 1 2 345.410 3.592 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000193168111 1132479760 /nfs/dbraw/zinc/47/97/60/1132479760.db2.gz PXYVOFLYRUQHEX-UHFFFAOYSA-N 1 2 329.419 3.843 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000193168111 1132479763 /nfs/dbraw/zinc/47/97/63/1132479763.db2.gz PXYVOFLYRUQHEX-UHFFFAOYSA-N 1 2 329.419 3.843 20 0 EHADLO CCOc1cc[nH+]cc1NC=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001174845958 1132484966 /nfs/dbraw/zinc/48/49/66/1132484966.db2.gz VROLEVZOXNTNTJ-UHFFFAOYSA-N 1 2 333.432 3.807 20 0 EHADLO CC(C)(C)OCc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001174911411 1132502475 /nfs/dbraw/zinc/50/24/75/1132502475.db2.gz XCXQLQJJZAJRMK-UHFFFAOYSA-N 1 2 341.455 3.977 20 0 EHADLO Cc1nc2c(F)cccc2cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975505 1132509713 /nfs/dbraw/zinc/50/97/13/1132509713.db2.gz WZBCVHDFUQUBBT-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)o1 ZINC000766382905 1132523526 /nfs/dbraw/zinc/52/35/26/1132523526.db2.gz TXSKNFNBPYNPKR-JSIVBPPZSA-N 1 2 332.473 3.948 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)o1 ZINC000766382905 1132523531 /nfs/dbraw/zinc/52/35/31/1132523531.db2.gz TXSKNFNBPYNPKR-JSIVBPPZSA-N 1 2 332.473 3.948 20 0 EHADLO COc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(F)c1F ZINC001175020766 1132531995 /nfs/dbraw/zinc/53/19/95/1132531995.db2.gz PSOZQPMGYXXPQB-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO Clc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c2ncccc12 ZINC001174980649 1132533899 /nfs/dbraw/zinc/53/38/99/1132533899.db2.gz YZLRYYBMXQYKDY-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCC(CC)[C@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)OC ZINC000766424519 1132536285 /nfs/dbraw/zinc/53/62/85/1132536285.db2.gz FYRSBBOYMIGXHE-HNNXBMFYSA-N 1 2 333.480 3.835 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC001175063292 1132539072 /nfs/dbraw/zinc/53/90/72/1132539072.db2.gz XMHWLMHHSWPBCQ-JKSUJKDBSA-N 1 2 342.277 3.638 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@](C)(COC)C1 ZINC001175063292 1132539079 /nfs/dbraw/zinc/53/90/79/1132539079.db2.gz XMHWLMHHSWPBCQ-JKSUJKDBSA-N 1 2 342.277 3.638 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000746481229 1132557851 /nfs/dbraw/zinc/55/78/51/1132557851.db2.gz FUKYSAYEWNNUNS-UHFFFAOYSA-N 1 2 331.476 3.602 20 0 EHADLO c1ccc(CCCCNc2cc[nH+]c(OCc3ccccn3)c2)nc1 ZINC001168802518 1132563157 /nfs/dbraw/zinc/56/31/57/1132563157.db2.gz IKAYULOCYHLUCG-UHFFFAOYSA-N 1 2 334.423 3.885 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)Cc2ccccc21 ZINC001168858502 1132582052 /nfs/dbraw/zinc/58/20/52/1132582052.db2.gz CDLAFWSZZQQFPE-IBGZPJMESA-N 1 2 338.426 3.724 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)Cc2ccccc21 ZINC001168858502 1132582056 /nfs/dbraw/zinc/58/20/56/1132582056.db2.gz CDLAFWSZZQQFPE-IBGZPJMESA-N 1 2 338.426 3.724 20 0 EHADLO c1ccc(COc2cc(NCCn3nnc4ccccc43)cc[nH+]2)cc1 ZINC001168927990 1132616150 /nfs/dbraw/zinc/61/61/50/1132616150.db2.gz IAAWUHSVUFWSMV-UHFFFAOYSA-N 1 2 345.406 3.517 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)n(C(=O)OC(C)(C)C)n1 ZINC001175343586 1132627897 /nfs/dbraw/zinc/62/78/97/1132627897.db2.gz JQDGBANMSQISEO-UHFFFAOYSA-N 1 2 343.431 3.714 20 0 EHADLO Fc1nc(F)c(Cl)c(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001175346204 1132629338 /nfs/dbraw/zinc/62/93/38/1132629338.db2.gz OEDSNSPNLPOTIY-UHFFFAOYSA-N 1 2 328.725 3.891 20 0 EHADLO Fc1nccc(Nc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC001175347288 1132629401 /nfs/dbraw/zinc/62/94/01/1132629401.db2.gz GZFJHQIDCVJOOU-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO FCC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC001175301663 1132630588 /nfs/dbraw/zinc/63/05/88/1132630588.db2.gz ZNPWYOFXKJJASD-IBGZPJMESA-N 1 2 329.415 3.826 20 0 EHADLO FCC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC001175301663 1132630592 /nfs/dbraw/zinc/63/05/92/1132630592.db2.gz ZNPWYOFXKJJASD-IBGZPJMESA-N 1 2 329.415 3.826 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1noc(Cc2ccccc2)n1 ZINC001169054532 1132643826 /nfs/dbraw/zinc/64/38/26/1132643826.db2.gz AHMDQTAPTVNYCG-RDJZCZTQSA-N 1 2 341.455 3.803 20 0 EHADLO CC(C)(C)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(C(N)=O)s1 ZINC001175350080 1132645367 /nfs/dbraw/zinc/64/53/67/1132645367.db2.gz SPKFCJXYNNABPS-UHFFFAOYSA-N 1 2 344.484 3.883 20 0 EHADLO CC[C@@H](C)C[N@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502994 1132691714 /nfs/dbraw/zinc/69/17/14/1132691714.db2.gz GYWMXOCEUQMDHB-SKDRFNHKSA-N 1 2 334.279 3.703 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502994 1132691716 /nfs/dbraw/zinc/69/17/16/1132691716.db2.gz GYWMXOCEUQMDHB-SKDRFNHKSA-N 1 2 334.279 3.703 20 0 EHADLO C[N@@H+]1CCC=C(Nc2cc(Cl)c(Cl)nc2Br)C1 ZINC001175576324 1132713750 /nfs/dbraw/zinc/71/37/50/1132713750.db2.gz FSMYKXWKVZUYAE-UHFFFAOYSA-N 1 2 337.048 3.782 20 0 EHADLO C[N@H+]1CCC=C(Nc2cc(Cl)c(Cl)nc2Br)C1 ZINC001175576324 1132713754 /nfs/dbraw/zinc/71/37/54/1132713754.db2.gz FSMYKXWKVZUYAE-UHFFFAOYSA-N 1 2 337.048 3.782 20 0 EHADLO O=C1CCC2(CCC(CNc3cc4cc(F)ccc4c[nH+]3)CC2)N1 ZINC001169289707 1132718402 /nfs/dbraw/zinc/71/84/02/1132718402.db2.gz MNOKFJOULVNABZ-UHFFFAOYSA-N 1 2 327.403 3.625 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2[nH]nc(C)c2c1 ZINC001175699262 1132729464 /nfs/dbraw/zinc/72/94/64/1132729464.db2.gz OZRXSYZOEFTUBX-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175699262 1132729467 /nfs/dbraw/zinc/72/94/67/1132729467.db2.gz OZRXSYZOEFTUBX-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO Cc1[nH]nc2cc(Nc3c(F)cccc3N3CC[NH+](C)CC3)ccc12 ZINC001175665852 1132733512 /nfs/dbraw/zinc/73/35/12/1132733512.db2.gz UEJYUNFNSOKOPD-UHFFFAOYSA-N 1 2 339.418 3.506 20 0 EHADLO Cc1cc(CC(C)C)[nH+]cc1Nc1cnc(N)nc1C(F)(F)F ZINC001175676162 1132736407 /nfs/dbraw/zinc/73/64/07/1132736407.db2.gz NEVYNPLOMMZQGZ-UHFFFAOYSA-N 1 2 325.338 3.723 20 0 EHADLO COc1cc(OC)c(F)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1F ZINC001175712441 1132740337 /nfs/dbraw/zinc/74/03/37/1132740337.db2.gz LAMCMXRPNKHUBW-UHFFFAOYSA-N 1 2 349.259 3.722 20 0 EHADLO COC(=O)c1ccc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C ZINC001175714247 1132741094 /nfs/dbraw/zinc/74/10/94/1132741094.db2.gz KSUPTGJKTSCNGO-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO Cc1ccc(CCCO)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175716021 1132741787 /nfs/dbraw/zinc/74/17/87/1132741787.db2.gz RELBYXYDKRHCOA-UHFFFAOYSA-N 1 2 325.334 3.660 20 0 EHADLO COc1ccc2c(c1Nc1c[nH+]c(N)cc1C(F)(F)F)C(=O)CC2 ZINC001175714972 1132741836 /nfs/dbraw/zinc/74/18/36/1132741836.db2.gz HKGYROQVFDCZSX-UHFFFAOYSA-N 1 2 337.301 3.564 20 0 EHADLO Cc1[nH]c(=O)c(CNc2cc(N(C)C)cc(Cl)[nH+]2)c2c1CCCC2 ZINC001169399963 1132748457 /nfs/dbraw/zinc/74/84/57/1132748457.db2.gz YRXMENLSVWSNNR-UHFFFAOYSA-N 1 2 346.862 3.701 20 0 EHADLO CCOc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001175736124 1132748648 /nfs/dbraw/zinc/74/86/48/1132748648.db2.gz SKVHZNZZUZKWAD-UHFFFAOYSA-N 1 2 330.388 3.966 20 0 EHADLO CCOc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cn1 ZINC001175739288 1132749043 /nfs/dbraw/zinc/74/90/43/1132749043.db2.gz JKIJBRNMRBODAV-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccnn2-c2cccc(F)c2)c[nH+]1 ZINC001175711514 1132755533 /nfs/dbraw/zinc/75/55/33/1132755533.db2.gz ZGAFSBVMXRYCME-UHFFFAOYSA-N 1 2 337.280 3.751 20 0 EHADLO Cc1ccc(Br)c(Nc2c[nH+]c(N)cc2C(F)(F)F)n1 ZINC001175709641 1132755820 /nfs/dbraw/zinc/75/58/20/1132755820.db2.gz HZTNKJHHIKWSOU-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO C[C@@H](CNc1[nH+]cccc1CC(=O)OC(C)(C)C)c1ccc(O)cc1 ZINC001169534452 1132780450 /nfs/dbraw/zinc/78/04/50/1132780450.db2.gz GOTQYTAYSRSYEI-AWEZNQCLSA-N 1 2 342.439 3.887 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001176035773 1132825858 /nfs/dbraw/zinc/82/58/58/1132825858.db2.gz CDKKMFHQXFIEBW-UGSOOPFHSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001176035773 1132825865 /nfs/dbraw/zinc/82/58/65/1132825865.db2.gz CDKKMFHQXFIEBW-UGSOOPFHSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001176035770 1132826106 /nfs/dbraw/zinc/82/61/06/1132826106.db2.gz CDKKMFHQXFIEBW-ACJLOTCBSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001176035770 1132826111 /nfs/dbraw/zinc/82/61/11/1132826111.db2.gz CDKKMFHQXFIEBW-ACJLOTCBSA-N 1 2 328.412 3.743 20 0 EHADLO COc1cc[nH+]cc1Nc1c(OC)cccc1C(=O)C(F)(F)F ZINC001176124588 1132853044 /nfs/dbraw/zinc/85/30/44/1132853044.db2.gz OOHBSFOOFIGZGV-UHFFFAOYSA-N 1 2 326.274 3.587 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)ccc1I ZINC001176122563 1132853329 /nfs/dbraw/zinc/85/33/29/1132853329.db2.gz BBFVTLSHQAYXRB-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO COC(=O)c1c(Cl)cc(Nc2c[nH+]ccc2OC)cc1Cl ZINC001176124860 1132854166 /nfs/dbraw/zinc/85/41/66/1132854166.db2.gz SPYAMVJDPPMUOX-UHFFFAOYSA-N 1 2 327.167 3.927 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC001169880456 1132878011 /nfs/dbraw/zinc/87/80/11/1132878011.db2.gz NZQRQIQQLPPOJD-FQEVSTJZSA-N 1 2 348.487 3.957 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC001169880456 1132878019 /nfs/dbraw/zinc/87/80/19/1132878019.db2.gz NZQRQIQQLPPOJD-FQEVSTJZSA-N 1 2 348.487 3.957 20 0 EHADLO OC[C@H](C[NH2+]c1cc2c3c(c1)CCCN3CCC2)Cc1ccccc1 ZINC001169903759 1132893998 /nfs/dbraw/zinc/89/39/98/1132893998.db2.gz KULVZCANSXVGJV-SFHVURJKSA-N 1 2 336.479 3.649 20 0 EHADLO OC[C@H](CNc1cc2c3c(c1)CCC[NH+]3CCC2)Cc1ccccc1 ZINC001169903759 1132894006 /nfs/dbraw/zinc/89/40/06/1132894006.db2.gz KULVZCANSXVGJV-SFHVURJKSA-N 1 2 336.479 3.649 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000767034043 1132937344 /nfs/dbraw/zinc/93/73/44/1132937344.db2.gz HZXPHOHMMCTVAQ-NXIHDVOMSA-N 1 2 338.238 3.798 20 0 EHADLO CCN(C)C(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001176462809 1132940703 /nfs/dbraw/zinc/94/07/03/1132940703.db2.gz NDVFSXAMXRNJEP-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CC(C)(C)Oc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001176638792 1132974673 /nfs/dbraw/zinc/97/46/73/1132974673.db2.gz WYYUACNGPXTXSQ-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)c1nc2cccc(Cl)c2s1 ZINC000767309299 1132981152 /nfs/dbraw/zinc/98/11/52/1132981152.db2.gz QXVUTTMFRDPNKN-UHFFFAOYSA-N 1 2 342.811 3.874 20 0 EHADLO Fc1cc(Br)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749734 1132992131 /nfs/dbraw/zinc/99/21/31/1132992131.db2.gz ILFVLGONDNEUOR-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1N1CCOCC1 ZINC001176750423 1132993189 /nfs/dbraw/zinc/99/31/89/1132993189.db2.gz HAZRTIJDLAARRE-UHFFFAOYSA-N 1 2 338.455 3.570 20 0 EHADLO Brc1cccnc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001176941113 1133014650 /nfs/dbraw/zinc/01/46/50/1133014650.db2.gz XVXXNQFICISPFA-KRWDZBQOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cccnc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001176941113 1133014655 /nfs/dbraw/zinc/01/46/55/1133014655.db2.gz XVXXNQFICISPFA-KRWDZBQOSA-N 1 2 347.256 3.808 20 0 EHADLO O=C(Nc1ccc(-n2cccc2)cc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958272 1133016282 /nfs/dbraw/zinc/01/62/82/1133016282.db2.gz OXEWPODLOABVJX-QGZVFWFLSA-N 1 2 346.434 3.727 20 0 EHADLO CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC001176959312 1133016756 /nfs/dbraw/zinc/01/67/56/1133016756.db2.gz VNTITURVMWWTCQ-MRXNPFEDSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC001177012342 1133022229 /nfs/dbraw/zinc/02/22/29/1133022229.db2.gz AYUIHCWUPFUINT-AUUYWEPGSA-N 1 2 344.405 3.632 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001177028263 1133023961 /nfs/dbraw/zinc/02/39/61/1133023961.db2.gz YXGABXJMFXLQOU-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001177028263 1133023968 /nfs/dbraw/zinc/02/39/68/1133023968.db2.gz YXGABXJMFXLQOU-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000767688535 1133039697 /nfs/dbraw/zinc/03/96/97/1133039697.db2.gz ATHUCAJBOIKROK-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCC[C@H]1CCC1CCCC1)CCCC2 ZINC000767753010 1133053461 /nfs/dbraw/zinc/05/34/61/1133053461.db2.gz HJGJPSRKYCXCQV-SFHVURJKSA-N 1 2 329.488 3.514 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCC[C@H]1CCC1CCCC1)CCCC2 ZINC000767753010 1133053466 /nfs/dbraw/zinc/05/34/66/1133053466.db2.gz HJGJPSRKYCXCQV-SFHVURJKSA-N 1 2 329.488 3.514 20 0 EHADLO CCCCC[C@@H](C)CC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001169975571 1133055059 /nfs/dbraw/zinc/05/50/59/1133055059.db2.gz PUDHJQYAWZGCPD-VQIMIIECSA-N 1 2 332.488 3.775 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000767848820 1133060402 /nfs/dbraw/zinc/06/04/02/1133060402.db2.gz JEEXFXKJQUBATN-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO CCCCOc1c(NC(=O)CN(C)c2cccc[nH+]2)ccc(F)c1F ZINC001177412722 1133062989 /nfs/dbraw/zinc/06/29/89/1133062989.db2.gz IAUGERPCMFHWTN-UHFFFAOYSA-N 1 2 349.381 3.614 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+]CC(=O)N(C)C1CCCCC1 ZINC001178184329 1133140382 /nfs/dbraw/zinc/14/03/82/1133140382.db2.gz MYJAHZZPFNCCMG-UHFFFAOYSA-N 1 2 347.484 3.592 20 0 EHADLO CCCn1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(C)cc2)nn1 ZINC001178426003 1133168252 /nfs/dbraw/zinc/16/82/52/1133168252.db2.gz OVPUMXIKSHHVRR-OAHLLOKOSA-N 1 2 326.366 3.780 20 0 EHADLO Cc1cc(C[NH2+]Cc2csc(COc3ccccc3)n2)ccn1 ZINC001178765734 1133197403 /nfs/dbraw/zinc/19/74/03/1133197403.db2.gz FZXABSWBGLXJTI-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC001178727504 1133198185 /nfs/dbraw/zinc/19/81/85/1133198185.db2.gz CCLAGDRNFVGXCF-SNVBAGLBSA-N 1 2 329.753 3.751 20 0 EHADLO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C(CF)CF)n2c1 ZINC001178786477 1133198865 /nfs/dbraw/zinc/19/88/65/1133198865.db2.gz BUPVXRCDWVSLPB-UHFFFAOYSA-N 1 2 333.357 3.846 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccc(OC(F)F)cc3F)cn2c1 ZINC001178868838 1133206088 /nfs/dbraw/zinc/20/60/88/1133206088.db2.gz WLJBRXMDHLRTKJ-UHFFFAOYSA-N 1 2 335.329 3.673 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922621 1133214052 /nfs/dbraw/zinc/21/40/52/1133214052.db2.gz QGCUDZJYSCYUST-ZRDIBKRKSA-N 1 2 329.831 3.662 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)[nH+]1 ZINC001179091740 1133226964 /nfs/dbraw/zinc/22/69/64/1133226964.db2.gz BJJLATNVJNNXNL-MRXNPFEDSA-N 1 2 329.444 3.706 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)c[nH+]1 ZINC001179091740 1133226968 /nfs/dbraw/zinc/22/69/68/1133226968.db2.gz BJJLATNVJNNXNL-MRXNPFEDSA-N 1 2 329.444 3.706 20 0 EHADLO Cc1ccc2[nH+]cc(CN[C@H](CCc3ccccc3)C(F)F)n2c1 ZINC001179159782 1133233030 /nfs/dbraw/zinc/23/30/30/1133233030.db2.gz RCHNODFDOKDURH-QGZVFWFLSA-N 1 2 329.394 3.999 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769240794 1133249011 /nfs/dbraw/zinc/24/90/11/1133249011.db2.gz MRWWWVHFDJPKSX-GFCCVEGCSA-N 1 2 342.349 3.634 20 0 EHADLO COc1cccc2[nH]c(NCc3cn(-c4cccc(C)c4)nc3C)[nH+]c21 ZINC001179498193 1133256874 /nfs/dbraw/zinc/25/68/74/1133256874.db2.gz ZDRAIDUVOXUQKB-UHFFFAOYSA-N 1 2 347.422 3.986 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1SC(F)(F)F ZINC000769309037 1133259031 /nfs/dbraw/zinc/25/90/31/1133259031.db2.gz YSLRIPWSFZLHER-UHFFFAOYSA-N 1 2 343.374 3.657 20 0 EHADLO O=C(/C=C/c1cc(F)cc(F)c1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001179567380 1133259714 /nfs/dbraw/zinc/25/97/14/1133259714.db2.gz LLARKICLUDIFJA-ZZXKWVIFSA-N 1 2 339.345 3.862 20 0 EHADLO COc1nsc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1Cl ZINC001179763823 1133281476 /nfs/dbraw/zinc/28/14/76/1133281476.db2.gz KSYJEVIEEFUNDR-SNVBAGLBSA-N 1 2 340.880 3.653 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000769426026 1133282472 /nfs/dbraw/zinc/28/24/72/1133282472.db2.gz RVLDRHCUZQKTPV-CQSZACIVSA-N 1 2 345.414 3.936 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000769426026 1133282478 /nfs/dbraw/zinc/28/24/78/1133282478.db2.gz RVLDRHCUZQKTPV-CQSZACIVSA-N 1 2 345.414 3.936 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000769557037 1133313969 /nfs/dbraw/zinc/31/39/69/1133313969.db2.gz POBROTFBVCCARH-NWDGAFQWSA-N 1 2 342.277 3.700 20 0 EHADLO Fc1cccn2cc(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)nc12 ZINC000769557855 1133315166 /nfs/dbraw/zinc/31/51/66/1133315166.db2.gz CBKVJOCIHKXSLL-GFCCVEGCSA-N 1 2 331.341 3.741 20 0 EHADLO Fc1cccn2cc(C[N@H+]3CC[C@@H](c4c(F)cccc4F)C3)nc12 ZINC000769557855 1133315171 /nfs/dbraw/zinc/31/51/71/1133315171.db2.gz CBKVJOCIHKXSLL-GFCCVEGCSA-N 1 2 331.341 3.741 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769772137 1133339637 /nfs/dbraw/zinc/33/96/37/1133339637.db2.gz MGNCGYZWWUEUMH-HECSCLNYSA-N 1 2 343.858 3.883 20 0 EHADLO O=c1oc2ccccc2n1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769782814 1133345264 /nfs/dbraw/zinc/34/52/64/1133345264.db2.gz WVRZZPSFGSZRHK-UHFFFAOYSA-N 1 2 344.361 3.710 20 0 EHADLO Cc1ccc([C@H](O)CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000769928232 1133367950 /nfs/dbraw/zinc/36/79/50/1133367950.db2.gz KHUQBMZNHBAPSK-LAUBAEHRSA-N 1 2 342.458 3.546 20 0 EHADLO COc1cccc(N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1F ZINC000769986338 1133373166 /nfs/dbraw/zinc/37/31/66/1133373166.db2.gz NSUORSZKWLMNFA-MGPUTAFESA-N 1 2 344.430 3.708 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1sccc1Br ZINC000770734980 1133467160 /nfs/dbraw/zinc/46/71/60/1133467160.db2.gz YLLGWELQEXGABR-UHFFFAOYSA-N 1 2 337.198 3.515 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CCC(C)(C)SC ZINC001181275681 1133474880 /nfs/dbraw/zinc/47/48/80/1133474880.db2.gz DHZPHRCQNSNJOH-OAHLLOKOSA-N 1 2 343.920 3.936 20 0 EHADLO CSCc1cc(C(=O)OCc2cccc3[nH+]ccn32)ccc1F ZINC000770910209 1133480551 /nfs/dbraw/zinc/48/05/51/1133480551.db2.gz IUSONOVXYHEMIS-UHFFFAOYSA-N 1 2 330.384 3.693 20 0 EHADLO O=C(/C=C/c1ccnc2ccccc12)OCc1cccc2[nH+]ccn21 ZINC000770922324 1133484840 /nfs/dbraw/zinc/48/48/40/1133484840.db2.gz KNYPSWJNZPKEQK-CMDGGOBGSA-N 1 2 329.359 3.639 20 0 EHADLO Cc1cccc2c(CCC(=O)OCc3cccc4[nH+]ccn43)c[nH]c21 ZINC000770926576 1133485809 /nfs/dbraw/zinc/48/58/09/1133485809.db2.gz UOBNKQVUGWVTKI-UHFFFAOYSA-N 1 2 333.391 3.800 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181901977 1133548604 /nfs/dbraw/zinc/54/86/04/1133548604.db2.gz MTXIYPBSJDMDRU-OSICKASQSA-N 1 2 338.495 3.814 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N(C)CC(F)(F)F)c1ccccc1Cl ZINC001182218844 1133597848 /nfs/dbraw/zinc/59/78/48/1133597848.db2.gz MIJFFGOAPWVVML-ZDUSSCGKSA-N 1 2 336.785 3.744 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCCNc1cccc[nH+]1 ZINC001182219119 1133598125 /nfs/dbraw/zinc/59/81/25/1133598125.db2.gz VVTGQUCXNGRTTA-HXUWFJFHSA-N 1 2 325.456 3.515 20 0 EHADLO O=C(N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C1(F)CCCC1 ZINC000771901192 1133613252 /nfs/dbraw/zinc/61/32/52/1133613252.db2.gz GWNWRJLLABBAMT-UHFFFAOYSA-N 1 2 338.854 3.657 20 0 EHADLO O=C(N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C1(F)CCCC1 ZINC000771901192 1133613255 /nfs/dbraw/zinc/61/32/55/1133613255.db2.gz GWNWRJLLABBAMT-UHFFFAOYSA-N 1 2 338.854 3.657 20 0 EHADLO C/C(=C/C(C)(C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000772108412 1133641446 /nfs/dbraw/zinc/64/14/46/1133641446.db2.gz BOQDAMRWLVMUTR-XUZQSEFNSA-N 1 2 325.456 3.813 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182360803 1133645618 /nfs/dbraw/zinc/64/56/18/1133645618.db2.gz PXFFTFDIODYHGT-UONOGXRCSA-N 1 2 346.352 3.753 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C3CC3)cc2)c1C ZINC000772567095 1133701058 /nfs/dbraw/zinc/70/10/58/1133701058.db2.gz QFWJMBSKHLANSH-UHFFFAOYSA-N 1 2 325.412 3.906 20 0 EHADLO Cc1csc(C2([NH2+]CN3C[C@@H](CC(C)(C)C)OC3=O)CCC2)n1 ZINC000785507152 1133715375 /nfs/dbraw/zinc/71/53/75/1133715375.db2.gz ILTUUSOMODRGDU-CYBMUJFWSA-N 1 2 337.489 3.635 20 0 EHADLO COc1nsc(C[NH+]2CCC(Cc3nccs3)CC2)c1Cl ZINC001183238283 1133780814 /nfs/dbraw/zinc/78/08/14/1133780814.db2.gz JHOQFGPFJFDDCJ-UHFFFAOYSA-N 1 2 343.905 3.716 20 0 EHADLO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2ncccn2)CC1 ZINC000785966226 1133784508 /nfs/dbraw/zinc/78/45/08/1133784508.db2.gz YOWPXMCYUQEVGH-UHFFFAOYSA-N 1 2 345.446 3.627 20 0 EHADLO COc1cc(C)cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000786141021 1133806513 /nfs/dbraw/zinc/80/65/13/1133806513.db2.gz UMHKVCXFAFYADW-QGZVFWFLSA-N 1 2 344.459 3.745 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc3[nH]c(=O)n(C4CC4)c3c2)c1C ZINC001183483611 1133812842 /nfs/dbraw/zinc/81/28/42/1133812842.db2.gz ZCYIAOWCDCWWHC-UHFFFAOYSA-N 1 2 338.411 3.709 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754017 1133854292 /nfs/dbraw/zinc/85/42/92/1133854292.db2.gz XDOCVLONTSPKSM-FQEVSTJZSA-N 1 2 338.451 3.995 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754017 1133854296 /nfs/dbraw/zinc/85/42/96/1133854296.db2.gz XDOCVLONTSPKSM-FQEVSTJZSA-N 1 2 338.451 3.995 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001183783699 1133857084 /nfs/dbraw/zinc/85/70/84/1133857084.db2.gz JRXXHKQUYKTKKG-GFCCVEGCSA-N 1 2 348.381 3.698 20 0 EHADLO CC(C)[C@H](Nc1[nH+]cnc2[nH]cc([S@@](C)=O)c21)c1ccc(F)cc1 ZINC001170060844 1133880299 /nfs/dbraw/zinc/88/02/99/1133880299.db2.gz VQKBOBPLDDASAG-IZHWHUGBSA-N 1 2 346.431 3.644 20 0 EHADLO C[C@@H](C[NH2+][C@H](C)c1nc(C(F)(F)F)n[nH]1)c1cc(F)cc(F)c1 ZINC001184002646 1133888215 /nfs/dbraw/zinc/88/82/15/1133888215.db2.gz SCTDJZZKXZNZKD-JGVFFNPUSA-N 1 2 334.292 3.556 20 0 EHADLO O=C(Oc1ccc2oc3ccccc3c2c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786706791 1133888289 /nfs/dbraw/zinc/88/82/89/1133888289.db2.gz GQDASGVJLSPPKU-CYBMUJFWSA-N 1 2 332.359 3.951 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000153340914 1133892050 /nfs/dbraw/zinc/89/20/50/1133892050.db2.gz VUEJCLBGWZMHQM-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000786881315 1133923600 /nfs/dbraw/zinc/92/36/00/1133923600.db2.gz DFOCMKVVUVZTKR-QZTJIDSGSA-N 1 2 325.456 3.883 20 0 EHADLO CCCn1c[nH+]cc1CN(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001184364653 1133926633 /nfs/dbraw/zinc/92/66/33/1133926633.db2.gz WARIOUYKCFHLAX-CQSZACIVSA-N 1 2 332.517 3.897 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787081535 1133947216 /nfs/dbraw/zinc/94/72/16/1133947216.db2.gz OGVMLNQFPPLGIJ-SECBINFHSA-N 1 2 344.203 3.654 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787081535 1133947221 /nfs/dbraw/zinc/94/72/21/1133947221.db2.gz OGVMLNQFPPLGIJ-SECBINFHSA-N 1 2 344.203 3.654 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Br)nn2C)c1 ZINC000787081816 1133947397 /nfs/dbraw/zinc/94/73/97/1133947397.db2.gz BZARFUFMINCVJX-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Br)nn2C)c1 ZINC000787081816 1133947404 /nfs/dbraw/zinc/94/74/04/1133947404.db2.gz BZARFUFMINCVJX-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787081538 1133947617 /nfs/dbraw/zinc/94/76/17/1133947617.db2.gz OGVMLNQFPPLGIJ-VIFPVBQESA-N 1 2 344.203 3.654 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787081538 1133947620 /nfs/dbraw/zinc/94/76/20/1133947620.db2.gz OGVMLNQFPPLGIJ-VIFPVBQESA-N 1 2 344.203 3.654 20 0 EHADLO CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000073372885 1133957316 /nfs/dbraw/zinc/95/73/16/1133957316.db2.gz GHXBBVQGCSCEAA-GXTWGEPZSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000746665196 1133981060 /nfs/dbraw/zinc/98/10/60/1133981060.db2.gz AEHAFJMGFYXSHW-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000746665196 1133981066 /nfs/dbraw/zinc/98/10/66/1133981066.db2.gz AEHAFJMGFYXSHW-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO OCCCC1CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000787291901 1133985406 /nfs/dbraw/zinc/98/54/06/1133985406.db2.gz CMRRZRQNJJSQDX-UHFFFAOYSA-N 1 2 336.785 3.738 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc2c(c1)OCCO2 ZINC000774824749 1134025665 /nfs/dbraw/zinc/02/56/65/1134025665.db2.gz XIQZFBVWACEMKU-KRWDZBQOSA-N 1 2 345.443 3.625 20 0 EHADLO Cc1nc(NC[C@@H]2CCc3ccccc3N2)c(Br)c(C)[nH+]1 ZINC001185242288 1134056232 /nfs/dbraw/zinc/05/62/32/1134056232.db2.gz RWOUFMNRGLPOPD-ZDUSSCGKSA-N 1 2 347.260 3.695 20 0 EHADLO CCc1cc(N2CC[C@@H](OCCCc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185593295 1134112145 /nfs/dbraw/zinc/11/21/45/1134112145.db2.gz NINHMOVWFFGMOU-LJQANCHMSA-N 1 2 339.483 3.830 20 0 EHADLO COCCCCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001185627004 1134114978 /nfs/dbraw/zinc/11/49/78/1134114978.db2.gz DJGDUXGPIQHVKO-OAHLLOKOSA-N 1 2 347.286 3.529 20 0 EHADLO O=C(CCNc1cc(C2CC2)[nH+]c(C2CC2)n1)OCc1ccccc1 ZINC001185702488 1134121874 /nfs/dbraw/zinc/12/18/74/1134121874.db2.gz XGNMZHYDWDYBBN-UHFFFAOYSA-N 1 2 337.423 3.777 20 0 EHADLO CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001185818454 1134141330 /nfs/dbraw/zinc/14/13/30/1134141330.db2.gz YWCAWAWFQCBJPA-UHFFFAOYSA-N 1 2 336.395 3.571 20 0 EHADLO Cc1cc(C)c(N2CC[C@H](Nc3[nH+]c4ccccc4n3C)C2=O)c(C)c1 ZINC000788872630 1134185396 /nfs/dbraw/zinc/18/53/96/1134185396.db2.gz RQMYNWNHBBJVEY-KRWDZBQOSA-N 1 2 348.450 3.716 20 0 EHADLO Cc1nc(NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC001186373271 1134210720 /nfs/dbraw/zinc/21/07/20/1134210720.db2.gz LMOMQGWIOUJVLH-QVKFZJNVSA-N 1 2 339.483 3.706 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCc4sccc4C3)C2=O)c(C)c1 ZINC000789307464 1134251993 /nfs/dbraw/zinc/25/19/93/1134251993.db2.gz YXZHFJBSCSSAGK-KRWDZBQOSA-N 1 2 340.492 3.837 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([N@H+]3CCc4sccc4C3)C2=O)c(C)c1 ZINC000789307464 1134251997 /nfs/dbraw/zinc/25/19/97/1134251997.db2.gz YXZHFJBSCSSAGK-KRWDZBQOSA-N 1 2 340.492 3.837 20 0 EHADLO Cc1nc(N[C@H](CO)CC2CCCCC2)c(Br)c(C)[nH+]1 ZINC001186764994 1134254897 /nfs/dbraw/zinc/25/48/97/1134254897.db2.gz YMCCWALVUBBOBR-ZDUSSCGKSA-N 1 2 342.281 3.599 20 0 EHADLO Cc1nc(NC[C@H](O)c2cccc3ccccc32)c2c([nH+]1)CCCC2 ZINC001186989602 1134276214 /nfs/dbraw/zinc/27/62/14/1134276214.db2.gz IZKWJXBVZKWMKE-FQEVSTJZSA-N 1 2 333.435 3.963 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c2c([nH+]1)CCCC2 ZINC001186973405 1134279590 /nfs/dbraw/zinc/27/95/90/1134279590.db2.gz HCWIOJBLWNTZNZ-BHIYHBOVSA-N 1 2 329.488 3.574 20 0 EHADLO O=c1sc2c(n1C[N@@H+]1CCC=C(c3ccccc3)C1)CCCC2 ZINC000789546974 1134294903 /nfs/dbraw/zinc/29/49/03/1134294903.db2.gz XGVUDYQLODCERL-UHFFFAOYSA-N 1 2 326.465 3.535 20 0 EHADLO O=c1sc2c(n1C[N@H+]1CCC=C(c3ccccc3)C1)CCCC2 ZINC000789546974 1134294908 /nfs/dbraw/zinc/29/49/08/1134294908.db2.gz XGVUDYQLODCERL-UHFFFAOYSA-N 1 2 326.465 3.535 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170113969 1134312867 /nfs/dbraw/zinc/31/28/67/1134312867.db2.gz YMDDZIUJDLALJH-HCKVZZMMSA-N 1 2 330.255 3.856 20 0 EHADLO CC(C)COc1cc(NCc2ccnc(-c3cnn(C)c3)c2)cc[nH+]1 ZINC001170124637 1134354676 /nfs/dbraw/zinc/35/46/76/1134354676.db2.gz AMAMNQCVUPWAQA-UHFFFAOYSA-N 1 2 337.427 3.524 20 0 EHADLO COc1ccccc1[C@H](C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001187685787 1134366490 /nfs/dbraw/zinc/36/64/90/1134366490.db2.gz QXIQXQWXDUQWDY-HNNXBMFYSA-N 1 2 335.407 3.682 20 0 EHADLO CCOc1cc(C(=O)OC)c(Nc2cc(C)c[nH+]c2C)cc1OC ZINC001203669343 1134391803 /nfs/dbraw/zinc/39/18/03/1134391803.db2.gz QOOSPXXAGKFNEY-UHFFFAOYSA-N 1 2 330.384 3.636 20 0 EHADLO Cc1ccc(N2CC[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2=O)cc1 ZINC000790474946 1134422696 /nfs/dbraw/zinc/42/26/96/1134422696.db2.gz ZGURYGNJJBYRAX-HNNXBMFYSA-N 1 2 343.496 3.644 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C(F)(F)C3CCOCC3)c2)[nH+]c1C ZINC000790492554 1134426265 /nfs/dbraw/zinc/42/62/65/1134426265.db2.gz YPKBAYGXZYDPAW-UHFFFAOYSA-N 1 2 349.381 3.694 20 0 EHADLO CCC1=C(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CCCO1 ZINC000790582738 1134439516 /nfs/dbraw/zinc/43/95/16/1134439516.db2.gz SXXXMODHUKBXBS-HNNXBMFYSA-N 1 2 346.446 3.505 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C\c1ccc(O)cc1 ZINC000791296102 1134527098 /nfs/dbraw/zinc/52/70/98/1134527098.db2.gz NQFWKHPGZWIMHV-WTKPLQERSA-N 1 2 334.375 3.643 20 0 EHADLO CSc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)ccn1 ZINC000791347378 1134532919 /nfs/dbraw/zinc/53/29/19/1134532919.db2.gz RFISHVLWSQWNQX-UHFFFAOYSA-N 1 2 339.420 3.655 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(N)ccc1Cl ZINC000791351195 1134538724 /nfs/dbraw/zinc/53/87/24/1134538724.db2.gz FFZLTBBMYNERGI-UHFFFAOYSA-N 1 2 341.798 3.773 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CCOc2ccccc21 ZINC000791364087 1134540705 /nfs/dbraw/zinc/54/07/05/1134540705.db2.gz BFJXZTPQQUTHKV-IBGZPJMESA-N 1 2 348.402 3.790 20 0 EHADLO Cc1cccc(C)c1NCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791399692 1134544691 /nfs/dbraw/zinc/54/46/91/1134544691.db2.gz PMLKJPMSGYKJLI-UHFFFAOYSA-N 1 2 349.434 3.953 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@@H](C)c1ccc(N)cc1 ZINC000791448279 1134552582 /nfs/dbraw/zinc/55/25/82/1134552582.db2.gz QQTAYDCRBKJXME-MRXNPFEDSA-N 1 2 349.434 4.000 20 0 EHADLO COc1ccc(Cl)c(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000791450786 1134553517 /nfs/dbraw/zinc/55/35/17/1134553517.db2.gz PFOWDLZAAQFXLB-QGZVFWFLSA-N 1 2 333.815 3.695 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(F)cnc1Cl ZINC000791430942 1134557494 /nfs/dbraw/zinc/55/74/94/1134557494.db2.gz ICUREVNZMVTJEC-UHFFFAOYSA-N 1 2 345.761 3.725 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1cccc(Cl)c1Cl ZINC001189247375 1134557553 /nfs/dbraw/zinc/55/75/53/1134557553.db2.gz SCLMQPDTCYNUSE-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccco1 ZINC001203284576 1134603281 /nfs/dbraw/zinc/60/32/81/1134603281.db2.gz JGNDRROMMGBZSH-KRWDZBQOSA-N 1 2 342.439 3.731 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccco1 ZINC001203284576 1134603285 /nfs/dbraw/zinc/60/32/85/1134603285.db2.gz JGNDRROMMGBZSH-KRWDZBQOSA-N 1 2 342.439 3.731 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)OC2CCCC2)[C@@H](C)C1 ZINC001189587310 1134604368 /nfs/dbraw/zinc/60/43/68/1134604368.db2.gz JVQDUZICVQXDTA-INIZCTEOSA-N 1 2 346.471 3.671 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)OC2CCCC2)[C@@H](C)C1 ZINC001189587310 1134604372 /nfs/dbraw/zinc/60/43/72/1134604372.db2.gz JVQDUZICVQXDTA-INIZCTEOSA-N 1 2 346.471 3.671 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000791949286 1134637760 /nfs/dbraw/zinc/63/77/60/1134637760.db2.gz DRNVPLKWHFUZDK-UONOGXRCSA-N 1 2 337.206 3.818 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000775336779 1134638944 /nfs/dbraw/zinc/63/89/44/1134638944.db2.gz QHFLVVGXVNZXFO-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001190009647 1134643190 /nfs/dbraw/zinc/64/31/90/1134643190.db2.gz QWDZYQJIKAWCNT-UHFFFAOYSA-N 1 2 326.375 3.666 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001190097504 1134655288 /nfs/dbraw/zinc/65/52/88/1134655288.db2.gz MUXYDGMNZVYJCB-IYBDPMFKSA-N 1 2 329.403 3.599 20 0 EHADLO Nc1cc(COC(=O)c2ccc(Cl)cc2C(F)(F)F)cc[nH+]1 ZINC000792142212 1134656849 /nfs/dbraw/zinc/65/68/49/1134656849.db2.gz UZXRJKLGMRYTKK-UHFFFAOYSA-N 1 2 330.693 3.693 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC001190249385 1134673368 /nfs/dbraw/zinc/67/33/68/1134673368.db2.gz MUWWAOXVNWCJDC-UHFFFAOYSA-N 1 2 337.467 3.893 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000121379623 1134687225 /nfs/dbraw/zinc/68/72/25/1134687225.db2.gz KALSNTJZEWZEOB-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000121379623 1134687228 /nfs/dbraw/zinc/68/72/28/1134687228.db2.gz KALSNTJZEWZEOB-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCCC2)nc1 ZINC001190407323 1134694978 /nfs/dbraw/zinc/69/49/78/1134694978.db2.gz QFCJNNJCLICGMM-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000792562406 1134713067 /nfs/dbraw/zinc/71/30/67/1134713067.db2.gz OEHUEJNVYKHEBV-PMACEKPBSA-N 1 2 349.434 3.504 20 0 EHADLO C[C@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC001170265047 1134727512 /nfs/dbraw/zinc/72/75/12/1134727512.db2.gz DQEYDQRTQLPIIF-MRXNPFEDSA-N 1 2 342.870 3.729 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170248191 1134731501 /nfs/dbraw/zinc/73/15/01/1134731501.db2.gz NEXNDOQQUWLAOR-KSSFIOAISA-N 1 2 331.843 3.645 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170255278 1134733655 /nfs/dbraw/zinc/73/36/55/1134733655.db2.gz OAOJEBZJAVSARN-WFASDCNBSA-N 1 2 329.893 3.545 20 0 EHADLO C[C@@]12CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C[C@@H]1C2(Cl)Cl ZINC000792895938 1134815761 /nfs/dbraw/zinc/81/57/61/1134815761.db2.gz BOZYSEZBRPYYSN-GXTWGEPZSA-N 1 2 347.673 3.794 20 0 EHADLO C[C@@]12CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C[C@@H]1C2(Cl)Cl ZINC000792895938 1134815766 /nfs/dbraw/zinc/81/57/66/1134815766.db2.gz BOZYSEZBRPYYSN-GXTWGEPZSA-N 1 2 347.673 3.794 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC(C)(C)C1 ZINC000792930398 1134829036 /nfs/dbraw/zinc/82/90/36/1134829036.db2.gz MDVBXXWQQCJTET-KRWDZBQOSA-N 1 2 326.444 3.592 20 0 EHADLO CCCCc1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC001191233440 1134832592 /nfs/dbraw/zinc/83/25/92/1134832592.db2.gz LHXCTAZVUZUXGA-UHFFFAOYSA-N 1 2 343.452 3.786 20 0 EHADLO CC[C@H](C)CC[C@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793136702 1134861087 /nfs/dbraw/zinc/86/10/87/1134861087.db2.gz HVQKXVNMCYFHNI-ZFWWWQNUSA-N 1 2 333.407 3.527 20 0 EHADLO C[C@H](C[NH2+][C@@H](CCc1ccccc1)C(F)F)NC(=O)OC(C)(C)C ZINC000793216293 1134873793 /nfs/dbraw/zinc/87/37/93/1134873793.db2.gz XHXIAJOYPQMKRN-HIFRSBDPSA-N 1 2 342.430 3.756 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(C)oc2C)sc1C ZINC000793243477 1134886830 /nfs/dbraw/zinc/88/68/30/1134886830.db2.gz RSVKLGOCURNPGH-AWEZNQCLSA-N 1 2 334.441 3.785 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc(C)oc2C)sc1C ZINC000793243477 1134886837 /nfs/dbraw/zinc/88/68/37/1134886837.db2.gz RSVKLGOCURNPGH-AWEZNQCLSA-N 1 2 334.441 3.785 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CC1CCC(c2ccccc2)CC1 ZINC000793248915 1134889288 /nfs/dbraw/zinc/88/92/88/1134889288.db2.gz AGXSQNLFSRFTFZ-UHFFFAOYSA-N 1 2 326.440 3.870 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCOc1cccc2ccccc21 ZINC000793256861 1134891561 /nfs/dbraw/zinc/89/15/61/1134891561.db2.gz DTYOWMQUXNSQDJ-UHFFFAOYSA-N 1 2 338.407 3.518 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(C2CC2)cnc1Cl ZINC000793435663 1134928440 /nfs/dbraw/zinc/92/84/40/1134928440.db2.gz LFIGRYPDHNTRID-UHFFFAOYSA-N 1 2 344.846 3.630 20 0 EHADLO C[C@H]1COCC[N@@H+]1CCN(Cc1ccccc1F)c1ccccc1F ZINC001192007291 1134955550 /nfs/dbraw/zinc/95/55/50/1134955550.db2.gz WBOIIFMDMZAKBI-INIZCTEOSA-N 1 2 346.421 3.692 20 0 EHADLO C[C@H]1COCC[N@H+]1CCN(Cc1ccccc1F)c1ccccc1F ZINC001192007291 1134955556 /nfs/dbraw/zinc/95/55/56/1134955556.db2.gz WBOIIFMDMZAKBI-INIZCTEOSA-N 1 2 346.421 3.692 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H](F)CC1CCCCC1 ZINC000793771968 1134992991 /nfs/dbraw/zinc/99/29/91/1134992991.db2.gz XCEILSZNJNOLEA-QGZVFWFLSA-N 1 2 329.419 3.797 20 0 EHADLO CC/C=C/CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291210 1134994797 /nfs/dbraw/zinc/99/47/97/1134994797.db2.gz BRWWNGLAQNDGRQ-LLYBFZRZSA-N 1 2 340.261 3.951 20 0 EHADLO CC/C=C/CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291210 1134994802 /nfs/dbraw/zinc/99/48/02/1134994802.db2.gz BRWWNGLAQNDGRQ-LLYBFZRZSA-N 1 2 340.261 3.951 20 0 EHADLO Brc1cccc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000793826683 1134997753 /nfs/dbraw/zinc/99/77/53/1134997753.db2.gz BDFZLKQQFKDYND-UHFFFAOYSA-N 1 2 330.185 3.609 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC001192371418 1135008342 /nfs/dbraw/zinc/00/83/42/1135008342.db2.gz YZEUTMMZRBFBMY-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC001192371418 1135008346 /nfs/dbraw/zinc/00/83/46/1135008346.db2.gz YZEUTMMZRBFBMY-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC001192645306 1135043547 /nfs/dbraw/zinc/04/35/47/1135043547.db2.gz LHSMACSSIGDIGI-UHFFFAOYSA-N 1 2 343.437 3.972 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC001192645306 1135043553 /nfs/dbraw/zinc/04/35/53/1135043553.db2.gz LHSMACSSIGDIGI-UHFFFAOYSA-N 1 2 343.437 3.972 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC001192744451 1135049446 /nfs/dbraw/zinc/04/94/46/1135049446.db2.gz DKHHZOIKELWEEO-LBPRGKRZSA-N 1 2 345.468 3.518 20 0 EHADLO CC(C)[C@H]([NH2+]CCCc1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001193079978 1135095720 /nfs/dbraw/zinc/09/57/20/1135095720.db2.gz AQAAKXIKDVYBMS-INIZCTEOSA-N 1 2 327.415 3.853 20 0 EHADLO CCCC[C@H](C)NC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001193090357 1135098881 /nfs/dbraw/zinc/09/88/81/1135098881.db2.gz YQANPDIUDYTSSH-AWEZNQCLSA-N 1 2 348.878 3.963 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2csc(-c3ccccn3)n2)cn1 ZINC001193095266 1135106785 /nfs/dbraw/zinc/10/67/85/1135106785.db2.gz WZVHIYYLIHZITE-CYBMUJFWSA-N 1 2 327.457 3.833 20 0 EHADLO CCCCNc1cc(N[C@@H]2CCCc3cn(C(C)C)nc32)nc(N)[nH+]1 ZINC000804605198 1135136309 /nfs/dbraw/zinc/13/63/09/1135136309.db2.gz NQHPANHKISYVIR-CQSZACIVSA-N 1 2 343.479 3.538 20 0 EHADLO CCCCNc1cc(N[C@@H]2CCCc3cn(C(C)C)nc32)[nH+]c(N)n1 ZINC000804605198 1135136313 /nfs/dbraw/zinc/13/63/13/1135136313.db2.gz NQHPANHKISYVIR-CQSZACIVSA-N 1 2 343.479 3.538 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc(C)[nH+]1 ZINC001129857720 1135172887 /nfs/dbraw/zinc/17/28/87/1135172887.db2.gz CLEOSZPNQJIXBA-UHFFFAOYSA-N 1 2 331.419 3.999 20 0 EHADLO Cc1cc2nc(NCCCc3cccc(C)[nH+]3)c3ccccc3n2n1 ZINC000804774284 1135187980 /nfs/dbraw/zinc/18/79/80/1135187980.db2.gz HHOIAFYBSKYGSZ-UHFFFAOYSA-N 1 2 331.423 3.939 20 0 EHADLO Cc1nc(NCc2nc3ccccc3n2Cc2ccccc2)cc[nH+]1 ZINC001170469655 1135213092 /nfs/dbraw/zinc/21/30/92/1135213092.db2.gz GKZJGPHPSPATSL-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CCc1cc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc[nH+]1 ZINC001194225822 1135247208 /nfs/dbraw/zinc/24/72/08/1135247208.db2.gz KXNPIENVMGKYQX-UHFFFAOYSA-N 1 2 346.839 3.673 20 0 EHADLO Clc1cccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c1 ZINC001203796694 1135275201 /nfs/dbraw/zinc/27/52/01/1135275201.db2.gz SACLMOADQXYBHE-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)Oc1ccc(Br)cc1 ZINC001194570080 1135287394 /nfs/dbraw/zinc/28/73/94/1135287394.db2.gz VFIAPISLIRRRMX-UHFFFAOYSA-N 1 2 332.157 3.708 20 0 EHADLO CC[C@@H](C)COC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001194836265 1135328529 /nfs/dbraw/zinc/32/85/29/1135328529.db2.gz ZIKGNXPMPCKQQX-CYBMUJFWSA-N 1 2 335.835 3.857 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615484 1135329217 /nfs/dbraw/zinc/32/92/17/1135329217.db2.gz NMXVKIGSSXNFBH-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615484 1135329222 /nfs/dbraw/zinc/32/92/22/1135329222.db2.gz NMXVKIGSSXNFBH-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO Cc1cc(Cl)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001194895792 1135337291 /nfs/dbraw/zinc/33/72/91/1135337291.db2.gz KUSHVGWUUOSLMY-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO C[C@@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)NC(=O)OC(C)(C)C ZINC000805842001 1135344527 /nfs/dbraw/zinc/34/45/27/1135344527.db2.gz XVKRAXVWTRLLPB-HNNXBMFYSA-N 1 2 343.471 3.760 20 0 EHADLO C[C@@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)NC(=O)OC(C)(C)C ZINC000805842001 1135344533 /nfs/dbraw/zinc/34/45/33/1135344533.db2.gz XVKRAXVWTRLLPB-HNNXBMFYSA-N 1 2 343.471 3.760 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)o1 ZINC000348222711 1135405436 /nfs/dbraw/zinc/40/54/36/1135405436.db2.gz FWOCJWBKLXLRPS-DZGCQCFKSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)o1 ZINC000348222711 1135405441 /nfs/dbraw/zinc/40/54/41/1135405441.db2.gz FWOCJWBKLXLRPS-DZGCQCFKSA-N 1 2 333.407 3.513 20 0 EHADLO Cn1ncc(C[NH2+][C@@H](c2ccccc2)c2cccc3ccccc32)n1 ZINC000806168129 1135406583 /nfs/dbraw/zinc/40/65/83/1135406583.db2.gz GHUJTDLIMNHSRK-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C[C@@H](CC)O1 ZINC001195300788 1135409074 /nfs/dbraw/zinc/40/90/74/1135409074.db2.gz VNZBNGYQLGTCOX-PSBWJHGTSA-N 1 2 344.499 3.632 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001195301132 1135410148 /nfs/dbraw/zinc/41/01/48/1135410148.db2.gz YBFQAYOWLCKNTQ-ZFWWWQNUSA-N 1 2 329.362 3.955 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001195301132 1135410151 /nfs/dbraw/zinc/41/01/51/1135410151.db2.gz YBFQAYOWLCKNTQ-ZFWWWQNUSA-N 1 2 329.362 3.955 20 0 EHADLO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1F ZINC001137933700 1135427071 /nfs/dbraw/zinc/42/70/71/1135427071.db2.gz QLOSGZPULOQOOY-UHFFFAOYSA-N 1 2 346.393 3.841 20 0 EHADLO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1F ZINC001137933700 1135427076 /nfs/dbraw/zinc/42/70/76/1135427076.db2.gz QLOSGZPULOQOOY-UHFFFAOYSA-N 1 2 346.393 3.841 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195654911 1135452464 /nfs/dbraw/zinc/45/24/64/1135452464.db2.gz CSYKFRZYCOPKHM-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CCCCCC1 ZINC001195766469 1135462897 /nfs/dbraw/zinc/46/28/97/1135462897.db2.gz FGDALEMTGLEUMW-SJORKVTESA-N 1 2 337.504 3.968 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000775670861 1135467941 /nfs/dbraw/zinc/46/79/41/1135467941.db2.gz QVAGAYDVVVNAQT-KRWDZBQOSA-N 1 2 345.491 3.594 20 0 EHADLO Cn1c[nH+]cc1CCSc1nn(-c2ccccc2)c(=S)s1 ZINC000806584642 1135472966 /nfs/dbraw/zinc/47/29/66/1135472966.db2.gz OFEJNALDYLBMNF-UHFFFAOYSA-N 1 2 334.495 3.732 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137939429 1135508527 /nfs/dbraw/zinc/50/85/27/1135508527.db2.gz XJSQQVHMCXQISF-LBPRGKRZSA-N 1 2 344.377 3.545 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137939429 1135508533 /nfs/dbraw/zinc/50/85/33/1135508533.db2.gz XJSQQVHMCXQISF-LBPRGKRZSA-N 1 2 344.377 3.545 20 0 EHADLO CC(C)(C)[NH+]1CC(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001196434811 1135556976 /nfs/dbraw/zinc/55/69/76/1135556976.db2.gz XJXIGPDLSLGLJU-UHFFFAOYSA-N 1 2 349.887 3.676 20 0 EHADLO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cccc(Cl)c2O)C1 ZINC001131045410 1135571191 /nfs/dbraw/zinc/57/11/91/1135571191.db2.gz LAZLYHWAOXRZLQ-CQSZACIVSA-N 1 2 344.842 3.569 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)NCc3ccc(F)cc3)c[nH+]c12 ZINC001196509790 1135571451 /nfs/dbraw/zinc/57/14/51/1135571451.db2.gz GCYALUMRZXWPDR-ZDUSSCGKSA-N 1 2 342.443 3.507 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186146 1135587161 /nfs/dbraw/zinc/58/71/61/1135587161.db2.gz HGHCWMPSTZDTEL-ILDNPNGPSA-N 1 2 325.412 3.541 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186146 1135587165 /nfs/dbraw/zinc/58/71/65/1135587165.db2.gz HGHCWMPSTZDTEL-ILDNPNGPSA-N 1 2 325.412 3.541 20 0 EHADLO CN1CCCC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2F)C1=O ZINC001196727932 1135600463 /nfs/dbraw/zinc/60/04/63/1135600463.db2.gz OXOURCRWGZAVHL-CYBMUJFWSA-N 1 2 333.234 3.575 20 0 EHADLO CN1CCCC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2F)C1=O ZINC001196727932 1135600468 /nfs/dbraw/zinc/60/04/68/1135600468.db2.gz OXOURCRWGZAVHL-CYBMUJFWSA-N 1 2 333.234 3.575 20 0 EHADLO O[C@H]1c2ccccc2OC[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000808171882 1135630241 /nfs/dbraw/zinc/63/02/41/1135630241.db2.gz NFVZYKOFTWTWQT-QAPCUYQASA-N 1 2 326.783 3.795 20 0 EHADLO COc1cccc(C[NH+]2CCN(CCOC3CCCCCC3)CC2)c1 ZINC001197077997 1135647280 /nfs/dbraw/zinc/64/72/80/1135647280.db2.gz PVRPFASGQZZFFH-UHFFFAOYSA-N 1 2 346.515 3.552 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)c1ccccc1OC ZINC000808378420 1135656429 /nfs/dbraw/zinc/65/64/29/1135656429.db2.gz NPIDTRINHMREHH-GOSISDBHSA-N 1 2 336.439 3.825 20 0 EHADLO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1C(F)(F)F ZINC001131309128 1135671715 /nfs/dbraw/zinc/67/17/15/1135671715.db2.gz GZGFLTZYLNWTSO-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808465664 1135681737 /nfs/dbraw/zinc/68/17/37/1135681737.db2.gz CLVQOTHGWBBWKZ-KBPBESRZSA-N 1 2 348.796 3.774 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808465664 1135681739 /nfs/dbraw/zinc/68/17/39/1135681739.db2.gz CLVQOTHGWBBWKZ-KBPBESRZSA-N 1 2 348.796 3.774 20 0 EHADLO COc1nnc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)s1 ZINC001197482912 1135694163 /nfs/dbraw/zinc/69/41/63/1135694163.db2.gz OKMMXDFSGFVHNN-CYBMUJFWSA-N 1 2 337.876 3.968 20 0 EHADLO COc1nnc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)s1 ZINC001197482912 1135694165 /nfs/dbraw/zinc/69/41/65/1135694165.db2.gz OKMMXDFSGFVHNN-CYBMUJFWSA-N 1 2 337.876 3.968 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC001197552280 1135705226 /nfs/dbraw/zinc/70/52/26/1135705226.db2.gz IKJUWKAYOXWAJS-OAHLLOKOSA-N 1 2 327.325 3.786 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC001197552280 1135705228 /nfs/dbraw/zinc/70/52/28/1135705228.db2.gz IKJUWKAYOXWAJS-OAHLLOKOSA-N 1 2 327.325 3.786 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC001197564049 1135706244 /nfs/dbraw/zinc/70/62/44/1135706244.db2.gz GAJCXZVZZCYXDP-OAHLLOKOSA-N 1 2 337.485 3.517 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@H+]1CC(=O)OC(C)(C)C ZINC001197564049 1135706248 /nfs/dbraw/zinc/70/62/48/1135706248.db2.gz GAJCXZVZZCYXDP-OAHLLOKOSA-N 1 2 337.485 3.517 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCc3c2cccc3Cl)c(N(C)C)[nH+]1 ZINC000775782282 1135726839 /nfs/dbraw/zinc/72/68/39/1135726839.db2.gz VKNQWGBXKGHDML-AWEZNQCLSA-N 1 2 329.831 3.778 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000808731239 1135731019 /nfs/dbraw/zinc/73/10/19/1135731019.db2.gz ULAKVEJFVRKESN-PBHICJAKSA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000808731239 1135731023 /nfs/dbraw/zinc/73/10/23/1135731023.db2.gz ULAKVEJFVRKESN-PBHICJAKSA-N 1 2 334.485 3.796 20 0 EHADLO Cc1ccc(NC(=S)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1 ZINC001198016548 1135762559 /nfs/dbraw/zinc/76/25/59/1135762559.db2.gz SSSCPACFRLIRHL-MRXNPFEDSA-N 1 2 340.496 3.654 20 0 EHADLO COc1nscc1C[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198122267 1135778263 /nfs/dbraw/zinc/77/82/63/1135778263.db2.gz DJWQSKWJNXXYFH-ZDUSSCGKSA-N 1 2 347.267 3.624 20 0 EHADLO COc1nscc1C[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198122267 1135778268 /nfs/dbraw/zinc/77/82/68/1135778268.db2.gz DJWQSKWJNXXYFH-ZDUSSCGKSA-N 1 2 347.267 3.624 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CCCN(c2cccc[nH+]2)CC1 ZINC001198324134 1135800706 /nfs/dbraw/zinc/80/07/06/1135800706.db2.gz PGHSEMXGEAWXGZ-UHFFFAOYSA-N 1 2 340.496 3.608 20 0 EHADLO CC(C)OCCC[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC001198309515 1135804834 /nfs/dbraw/zinc/80/48/34/1135804834.db2.gz LITVGTDDQZJHDF-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)OCCC[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC001198309515 1135804840 /nfs/dbraw/zinc/80/48/40/1135804840.db2.gz LITVGTDDQZJHDF-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)S1 ZINC000809555226 1135855764 /nfs/dbraw/zinc/85/57/64/1135855764.db2.gz DNEIKFBLJSAESA-AOOOYVTPSA-N 1 2 330.284 3.967 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)S1 ZINC000809555226 1135855767 /nfs/dbraw/zinc/85/57/67/1135855767.db2.gz DNEIKFBLJSAESA-AOOOYVTPSA-N 1 2 330.284 3.967 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)c1 ZINC001137957851 1135864237 /nfs/dbraw/zinc/86/42/37/1135864237.db2.gz QVENMVXZPCTICE-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(F)(F)c2ccccc2)CC1 ZINC001131838912 1135879774 /nfs/dbraw/zinc/87/97/74/1135879774.db2.gz MPRBJHGUJKDQAS-MRXNPFEDSA-N 1 2 344.405 3.684 20 0 EHADLO CCn1ccc(C[NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)n1 ZINC001199259189 1135890736 /nfs/dbraw/zinc/89/07/36/1135890736.db2.gz PZEVPCPEVJZZCW-UHFFFAOYSA-N 1 2 336.439 3.997 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cc(-c2cccc(Cl)c2)no1 ZINC001199314807 1135893714 /nfs/dbraw/zinc/89/37/14/1135893714.db2.gz YHYFEMZHHKPAIV-UHFFFAOYSA-N 1 2 339.782 3.553 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000776017056 1135921790 /nfs/dbraw/zinc/92/17/90/1135921790.db2.gz ZEWKDCYPCVJRHO-LJQANCHMSA-N 1 2 328.412 3.810 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(-c2ccccc2)cnc1F ZINC001199728648 1135923863 /nfs/dbraw/zinc/92/38/63/1135923863.db2.gz WENZVVIMKNCTPA-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO CC[C@H](C)n1nc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000776025680 1135929174 /nfs/dbraw/zinc/92/91/74/1135929174.db2.gz AZRNRNLSOBNFOT-LBPRGKRZSA-N 1 2 345.447 3.505 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3cccc(Cl)c3)c[nH+]c12 ZINC001201107740 1135983982 /nfs/dbraw/zinc/98/39/82/1135983982.db2.gz DBURIALFCLVQNY-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CCc1ccccc1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001201144301 1135988042 /nfs/dbraw/zinc/98/80/42/1135988042.db2.gz BQDBECVEBJJVEI-KRWDZBQOSA-N 1 2 341.480 3.884 20 0 EHADLO COc1cccc(-c2csc(CNc3ccc(N(C)C)c[nH+]3)n2)c1 ZINC001201179939 1135992620 /nfs/dbraw/zinc/99/26/20/1135992620.db2.gz PBCKDXLXRNKABO-UHFFFAOYSA-N 1 2 340.452 3.892 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]c3c(C)cccn23)cc1 ZINC001201190830 1135994195 /nfs/dbraw/zinc/99/41/95/1135994195.db2.gz XRJIPMPPNQNZCV-UHFFFAOYSA-N 1 2 342.493 3.851 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000810692872 1135997565 /nfs/dbraw/zinc/99/75/65/1135997565.db2.gz RQRLHFMFAVVDKG-CMKODMSKSA-N 1 2 338.451 3.986 20 0 EHADLO CC(C)(C)OC(=O)n1cnc2ccc(Nc3ccc(N)[nH+]c3)cc21 ZINC001201300787 1136004531 /nfs/dbraw/zinc/00/45/31/1136004531.db2.gz WQGHCHUQTABYCR-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)CC2 ZINC001201372674 1136009684 /nfs/dbraw/zinc/00/96/84/1136009684.db2.gz LHFMLXIHXCHVMC-PKOBYXMFSA-N 1 2 347.499 3.899 20 0 EHADLO Cc1ccc(-c2nnco2)cc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC001201348421 1136010547 /nfs/dbraw/zinc/01/05/47/1136010547.db2.gz VHLDLAWSWQUKII-UHFFFAOYSA-N 1 2 337.408 3.904 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CSc1ccc(Cl)cc1 ZINC001132621964 1136047191 /nfs/dbraw/zinc/04/71/91/1136047191.db2.gz JZXVKYDSRCTCJV-QGZVFWFLSA-N 1 2 346.883 3.735 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CSc1ccc(Cl)cc1 ZINC001132621964 1136047193 /nfs/dbraw/zinc/04/71/93/1136047193.db2.gz JZXVKYDSRCTCJV-QGZVFWFLSA-N 1 2 346.883 3.735 20 0 EHADLO Cc1[nH+]ccn1-c1ncccc1NCc1cc(C)nc2c1CCCC2 ZINC001201795505 1136063350 /nfs/dbraw/zinc/06/33/50/1136063350.db2.gz YUIAYDWYSJYCJY-UHFFFAOYSA-N 1 2 333.439 3.770 20 0 EHADLO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccn3cc[nH+]c3c2)c(C)c1C ZINC001201795613 1136063450 /nfs/dbraw/zinc/06/34/50/1136063450.db2.gz SIPZNUFGKWUEIO-UHFFFAOYSA-N 1 2 343.452 3.677 20 0 EHADLO O=C1COc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2N1 ZINC001203178935 1136074540 /nfs/dbraw/zinc/07/45/40/1136074540.db2.gz KEABKIOMNSWEBK-UHFFFAOYSA-N 1 2 325.755 3.963 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811488964 1136093057 /nfs/dbraw/zinc/09/30/57/1136093057.db2.gz RMFRVWBEKSJGIK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811488964 1136093059 /nfs/dbraw/zinc/09/30/59/1136093059.db2.gz RMFRVWBEKSJGIK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1ccccc1NC(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001202195164 1136109176 /nfs/dbraw/zinc/10/91/76/1136109176.db2.gz UDPJLFRNBYEVQB-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Clc1ccc(Cl)c(-c2ccn(CN3CCn4c[nH+]cc4C3)n2)c1 ZINC000811787846 1136140771 /nfs/dbraw/zinc/14/07/71/1136140771.db2.gz WPRSQLIAYLSGSS-UHFFFAOYSA-N 1 2 348.237 3.527 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1F ZINC001133033109 1136146231 /nfs/dbraw/zinc/14/62/31/1136146231.db2.gz QFSWALYCQMAGAI-KXBFYZLASA-N 1 2 337.398 3.683 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1nccc2ccsc21 ZINC001133033420 1136146529 /nfs/dbraw/zinc/14/65/29/1136146529.db2.gz YFSLJYJCHLWCMM-MRXNPFEDSA-N 1 2 348.431 3.664 20 0 EHADLO Cc1ccsc1-c1nn(C[N@H+](C)C[C@H]2CCCOC2)c(=S)o1 ZINC000107671804 1136175226 /nfs/dbraw/zinc/17/52/26/1136175226.db2.gz XSLWLHCDGHUKGH-GFCCVEGCSA-N 1 2 339.486 3.558 20 0 EHADLO Cc1ccsc1-c1nn(C[N@@H+](C)C[C@H]2CCCOC2)c(=S)o1 ZINC000107671804 1136175228 /nfs/dbraw/zinc/17/52/28/1136175228.db2.gz XSLWLHCDGHUKGH-GFCCVEGCSA-N 1 2 339.486 3.558 20 0 EHADLO S=c1scnn1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000107895504 1136180201 /nfs/dbraw/zinc/18/02/01/1136180201.db2.gz XHTXCGVTZPJVSY-UHFFFAOYSA-N 1 2 341.889 3.580 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H](C)c2ccccc2F)[nH+]1 ZINC000108956379 1136193147 /nfs/dbraw/zinc/19/31/47/1136193147.db2.gz FYUHNDGCYXDASD-INIZCTEOSA-N 1 2 345.414 3.825 20 0 EHADLO C[N@H+](Cn1c2cc(F)ccc2oc1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298324 1136196779 /nfs/dbraw/zinc/19/67/79/1136196779.db2.gz LNUWSWABZYHSAG-NEPJUHHUSA-N 1 2 346.324 3.744 20 0 EHADLO C[N@@H+](Cn1c2cc(F)ccc2oc1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298324 1136196781 /nfs/dbraw/zinc/19/67/81/1136196781.db2.gz LNUWSWABZYHSAG-NEPJUHHUSA-N 1 2 346.324 3.744 20 0 EHADLO CCOc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000850050293 1136203203 /nfs/dbraw/zinc/20/32/03/1136203203.db2.gz OFPUXBVBLIDHBX-UHFFFAOYSA-N 1 2 340.467 3.967 20 0 EHADLO C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000850450778 1136261438 /nfs/dbraw/zinc/26/14/38/1136261438.db2.gz TVYWUVKQBRVQGA-CQSZACIVSA-N 1 2 337.423 3.962 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534566 1136280889 /nfs/dbraw/zinc/28/08/89/1136280889.db2.gz OHLCTVLZKHDROG-LZWOXQAQSA-N 1 2 331.353 3.657 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1F ZINC000850537293 1136281489 /nfs/dbraw/zinc/28/14/89/1136281489.db2.gz OPRFRIRBCCPRRP-ZDUSSCGKSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699112 1136306641 /nfs/dbraw/zinc/30/66/41/1136306641.db2.gz FWZJODUGPREATQ-YOEHRIQHSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699112 1136306644 /nfs/dbraw/zinc/30/66/44/1136306644.db2.gz FWZJODUGPREATQ-YOEHRIQHSA-N 1 2 333.382 3.741 20 0 EHADLO CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000747861185 1136350686 /nfs/dbraw/zinc/35/06/86/1136350686.db2.gz PRRRVOUNGQIPFL-INIZCTEOSA-N 1 2 327.428 3.658 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)o1 ZINC000813795956 1136363814 /nfs/dbraw/zinc/36/38/14/1136363814.db2.gz XPNSBJNIFLJURB-UHFFFAOYSA-N 1 2 339.226 3.790 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(C)(C)C(C)(F)F ZINC000851342085 1136368443 /nfs/dbraw/zinc/36/84/43/1136368443.db2.gz PUBLSMMYOAZXIN-UHFFFAOYSA-N 1 2 346.324 3.848 20 0 EHADLO CC(C)(C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000851399389 1136376527 /nfs/dbraw/zinc/37/65/27/1136376527.db2.gz UGWCDFLXVTXJHG-UHFFFAOYSA-N 1 2 344.480 3.881 20 0 EHADLO CO[C@@H](COC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000851418076 1136377771 /nfs/dbraw/zinc/37/77/71/1136377771.db2.gz AYOHKZMRJJRQHK-IBGZPJMESA-N 1 2 342.439 3.684 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170725574 1136401461 /nfs/dbraw/zinc/40/14/61/1136401461.db2.gz ZVMJFOUWLOVSKN-OWLYRPNTSA-N 1 2 345.483 3.669 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(F)n3)CC2)c(C)c1 ZINC000851719952 1136401942 /nfs/dbraw/zinc/40/19/42/1136401942.db2.gz WSXIXZLDCJYUMN-UHFFFAOYSA-N 1 2 326.415 3.932 20 0 EHADLO ClC(Cl)=CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000851746534 1136404496 /nfs/dbraw/zinc/40/44/96/1136404496.db2.gz NAQLOIBVNCVNDX-UHFFFAOYSA-N 1 2 339.226 3.630 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747984 1136404975 /nfs/dbraw/zinc/40/49/75/1136404975.db2.gz MJVOQFNOSREEDT-MSOLQXFVSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747984 1136404977 /nfs/dbraw/zinc/40/49/77/1136404977.db2.gz MJVOQFNOSREEDT-MSOLQXFVSA-N 1 2 325.399 3.543 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731486 1136413138 /nfs/dbraw/zinc/41/31/38/1136413138.db2.gz QYYIQLXFOQRDHE-NXOAAHMSSA-N 1 2 335.875 3.838 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCSc1cccc(Cl)c1 ZINC000851910929 1136418756 /nfs/dbraw/zinc/41/87/56/1136418756.db2.gz GJSOVCZKWKGVSX-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000851910929 1136418760 /nfs/dbraw/zinc/41/87/60/1136418760.db2.gz GJSOVCZKWKGVSX-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)s1 ZINC000814225518 1136425340 /nfs/dbraw/zinc/42/53/40/1136425340.db2.gz ISGDKINEBDZDAW-CQSZACIVSA-N 1 2 334.514 3.577 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)s1 ZINC000814225518 1136425341 /nfs/dbraw/zinc/42/53/41/1136425341.db2.gz ISGDKINEBDZDAW-CQSZACIVSA-N 1 2 334.514 3.577 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)OCc2ccccc2)CCO1 ZINC000776590005 1136453306 /nfs/dbraw/zinc/45/33/06/1136453306.db2.gz XZIKZKWCJHGDLK-FQEVSTJZSA-N 1 2 339.435 3.502 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CCO1 ZINC000776590005 1136453310 /nfs/dbraw/zinc/45/33/10/1136453310.db2.gz XZIKZKWCJHGDLK-FQEVSTJZSA-N 1 2 339.435 3.502 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1 ZINC000852406592 1136453971 /nfs/dbraw/zinc/45/39/71/1136453971.db2.gz QQHCPEIEFSDUPK-HNNXBMFYSA-N 1 2 341.213 3.619 20 0 EHADLO O[C@@H](C[N@H+]1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1 ZINC000852406592 1136453973 /nfs/dbraw/zinc/45/39/73/1136453973.db2.gz QQHCPEIEFSDUPK-HNNXBMFYSA-N 1 2 341.213 3.619 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc(OC)c1 ZINC000852443768 1136456560 /nfs/dbraw/zinc/45/65/60/1136456560.db2.gz ORAIZRJOQCTIEV-AWEZNQCLSA-N 1 2 341.238 3.874 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000852533633 1136463314 /nfs/dbraw/zinc/46/33/14/1136463314.db2.gz VLVISHMPJSEUHZ-SECBINFHSA-N 1 2 327.753 3.664 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CCF)C2)c1Cl ZINC000852533633 1136463316 /nfs/dbraw/zinc/46/33/16/1136463316.db2.gz VLVISHMPJSEUHZ-SECBINFHSA-N 1 2 327.753 3.664 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc2c(c1)CCCO2 ZINC000852782075 1136486198 /nfs/dbraw/zinc/48/61/98/1136486198.db2.gz NUTABVUPMZUOOU-LBPRGKRZSA-N 1 2 325.368 3.505 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1c(C)cccc1C)C[NH2+]C2(C)C ZINC001170756855 1136490072 /nfs/dbraw/zinc/49/00/72/1136490072.db2.gz PHMKXWLWDBPPPR-UHFFFAOYSA-N 1 2 328.416 3.586 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000338954474 1136509666 /nfs/dbraw/zinc/50/96/66/1136509666.db2.gz ZTCHOXKSEWHJLF-CYBMUJFWSA-N 1 2 348.270 3.629 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000338954474 1136509669 /nfs/dbraw/zinc/50/96/69/1136509669.db2.gz ZTCHOXKSEWHJLF-CYBMUJFWSA-N 1 2 348.270 3.629 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000111165289 1136517893 /nfs/dbraw/zinc/51/78/93/1136517893.db2.gz XRNGPUJZACFISS-ZDUSSCGKSA-N 1 2 331.489 3.746 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000111165289 1136517894 /nfs/dbraw/zinc/51/78/94/1136517894.db2.gz XRNGPUJZACFISS-ZDUSSCGKSA-N 1 2 331.489 3.746 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000853495151 1136537870 /nfs/dbraw/zinc/53/78/70/1136537870.db2.gz RQNJBCAEQQXWFI-ZDUSSCGKSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000853495151 1136537874 /nfs/dbraw/zinc/53/78/74/1136537874.db2.gz RQNJBCAEQQXWFI-ZDUSSCGKSA-N 1 2 346.352 3.507 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)c1cc2ccccc2o1 ZINC000815033851 1136543264 /nfs/dbraw/zinc/54/32/64/1136543264.db2.gz VUFVBIKJMZJGRM-YLJYHZDGSA-N 1 2 341.382 3.679 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)c1cc2ccccc2o1 ZINC000815033851 1136543265 /nfs/dbraw/zinc/54/32/65/1136543265.db2.gz VUFVBIKJMZJGRM-YLJYHZDGSA-N 1 2 341.382 3.679 20 0 EHADLO CN(C)c1ccc(C2(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000815039913 1136543839 /nfs/dbraw/zinc/54/38/39/1136543839.db2.gz OZNHNUBDWASFPN-UHFFFAOYSA-N 1 2 346.434 3.609 20 0 EHADLO C[N@H+](C[C@H]1CC1(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000853626769 1136550366 /nfs/dbraw/zinc/55/03/66/1136550366.db2.gz GUKYBJZHZQKOIZ-CQSZACIVSA-N 1 2 346.500 3.868 20 0 EHADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000853626769 1136550368 /nfs/dbraw/zinc/55/03/68/1136550368.db2.gz GUKYBJZHZQKOIZ-CQSZACIVSA-N 1 2 346.500 3.868 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1cccc(C(F)(F)F)c1 ZINC000815125330 1136553877 /nfs/dbraw/zinc/55/38/77/1136553877.db2.gz WYUSFRFJBUPCSZ-CYBMUJFWSA-N 1 2 347.768 3.570 20 0 EHADLO Cn1ncc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c1Cl ZINC000815140979 1136561905 /nfs/dbraw/zinc/56/19/05/1136561905.db2.gz PEHXHIPLOLJEHH-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000815238441 1136575337 /nfs/dbraw/zinc/57/53/37/1136575337.db2.gz ADELUPBJPOUMCY-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000815238441 1136575339 /nfs/dbraw/zinc/57/53/39/1136575339.db2.gz ADELUPBJPOUMCY-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO CCCC[C@](C)(F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344211 1136609476 /nfs/dbraw/zinc/60/94/76/1136609476.db2.gz SYXFSYHJMUDIEH-KXBFYZLASA-N 1 2 335.467 3.844 20 0 EHADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000815617639 1136619536 /nfs/dbraw/zinc/61/95/36/1136619536.db2.gz RESQPWDIRXPFHD-AWEZNQCLSA-N 1 2 340.402 3.682 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000815643401 1136625149 /nfs/dbraw/zinc/62/51/49/1136625149.db2.gz BOGXVIHFJJPKOO-DZGCQCFKSA-N 1 2 342.430 3.756 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000815644707 1136625723 /nfs/dbraw/zinc/62/57/23/1136625723.db2.gz KDWCDWVRFUMYSW-ZIAGYGMSSA-N 1 2 326.387 3.942 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cc(Cl)c(F)cc1Cl ZINC000816033605 1136662325 /nfs/dbraw/zinc/66/23/25/1136662325.db2.gz ULNMOMQGBZPISA-UHFFFAOYSA-N 1 2 331.174 3.656 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2ncn(C3CC3)c2=S)C1 ZINC000113246490 1136688328 /nfs/dbraw/zinc/68/83/28/1136688328.db2.gz HMYAOYGCVZKLSY-GOSISDBHSA-N 1 2 328.485 3.760 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2ncn(C3CC3)c2=S)C1 ZINC000113246490 1136688332 /nfs/dbraw/zinc/68/83/32/1136688332.db2.gz HMYAOYGCVZKLSY-GOSISDBHSA-N 1 2 328.485 3.760 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000816481496 1136723630 /nfs/dbraw/zinc/72/36/30/1136723630.db2.gz YKHXAZXEESODCO-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000816596863 1136739886 /nfs/dbraw/zinc/73/98/86/1136739886.db2.gz UXUJLVUQYHEDEC-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000816596863 1136739887 /nfs/dbraw/zinc/73/98/87/1136739887.db2.gz UXUJLVUQYHEDEC-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ncc(-c2ccccc2)s1 ZINC000429529776 1136756399 /nfs/dbraw/zinc/75/63/99/1136756399.db2.gz QWQVCAYTWCPMKG-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CC12CCSCC2 ZINC000817125220 1136781480 /nfs/dbraw/zinc/78/14/80/1136781480.db2.gz YLKSPFUYYMZELW-LBPRGKRZSA-N 1 2 331.489 3.527 20 0 EHADLO CN(C)c1cc(COC(=O)C2(c3c(F)cccc3F)CCC2)cc[nH+]1 ZINC000817251037 1136789397 /nfs/dbraw/zinc/78/93/97/1136789397.db2.gz ORGNVOBGAULLLA-UHFFFAOYSA-N 1 2 346.377 3.591 20 0 EHADLO Cn1cc[nH+]c1CCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001135853847 1136789727 /nfs/dbraw/zinc/78/97/27/1136789727.db2.gz LHNHJBCMRNEJQV-UHFFFAOYSA-N 1 2 346.434 3.686 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1=S ZINC000817368929 1136800924 /nfs/dbraw/zinc/80/09/24/1136800924.db2.gz OPLJLOOXDGQWTM-AWEZNQCLSA-N 1 2 332.473 3.681 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@H+]2CC[C@H](C3CCCC3)C2)c1=S ZINC000817368929 1136800926 /nfs/dbraw/zinc/80/09/26/1136800926.db2.gz OPLJLOOXDGQWTM-AWEZNQCLSA-N 1 2 332.473 3.681 20 0 EHADLO C[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1c(F)cccc1Cl ZINC000856734098 1136804774 /nfs/dbraw/zinc/80/47/74/1136804774.db2.gz NVXATPKSDHCXMJ-GFCCVEGCSA-N 1 2 347.883 3.877 20 0 EHADLO Cn1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(Cl)n1 ZINC000856776635 1136810463 /nfs/dbraw/zinc/81/04/63/1136810463.db2.gz WPVQDZGVVYIPIK-LBPRGKRZSA-N 1 2 335.732 3.996 20 0 EHADLO COC(=O)c1ccc(CSCc2cc(OC)cc(C)[nH+]2)c(F)c1 ZINC000776898022 1136813571 /nfs/dbraw/zinc/81/35/71/1136813571.db2.gz NATHTPUAWFZNRP-UHFFFAOYSA-N 1 2 335.400 3.758 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815415 1136814943 /nfs/dbraw/zinc/81/49/43/1136814943.db2.gz GJLFFXUZUQDDSC-AUUYWEPGSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)c1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815415 1136814945 /nfs/dbraw/zinc/81/49/45/1136814945.db2.gz GJLFFXUZUQDDSC-AUUYWEPGSA-N 1 2 349.475 3.677 20 0 EHADLO COc1ccc([C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)C)cc1 ZINC001135978038 1136832852 /nfs/dbraw/zinc/83/28/52/1136832852.db2.gz GLBXXYYLXLPLCP-RBUKOAKNSA-N 1 2 343.471 3.992 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114782178 1136833125 /nfs/dbraw/zinc/83/31/25/1136833125.db2.gz ZSPCTCSFSHMTDD-ROUUACIJSA-N 1 2 346.519 3.829 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000818344683 1136872892 /nfs/dbraw/zinc/87/28/92/1136872892.db2.gz PUSOLCVHFPHVHF-KRWDZBQOSA-N 1 2 340.471 3.923 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776969776 1136907679 /nfs/dbraw/zinc/90/76/79/1136907679.db2.gz AULZBVZNUXQMMF-GOSISDBHSA-N 1 2 339.414 3.813 20 0 EHADLO ClC1(Cl)C[C@H]1CCNc1ccccc1C[NH+]1CCOCC1 ZINC000819066856 1136909935 /nfs/dbraw/zinc/90/99/35/1136909935.db2.gz HAAFUWFJJMHVST-CQSZACIVSA-N 1 2 329.271 3.515 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1=O ZINC000857874436 1136916954 /nfs/dbraw/zinc/91/69/54/1136916954.db2.gz RFEFOPRKMKMZFJ-IRXDYDNUSA-N 1 2 342.439 3.666 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(Cl)c1 ZINC000857878241 1136917552 /nfs/dbraw/zinc/91/75/52/1136917552.db2.gz VOHJTQVLRKSXHC-SGTLLEGYSA-N 1 2 344.842 3.713 20 0 EHADLO Cc1cc2occ(CC(=O)N[C@@H]3CCn4c[nH+]cc43)c2cc1C(C)C ZINC000857991445 1136927897 /nfs/dbraw/zinc/92/78/97/1136927897.db2.gz YFOSVTFCNPDZJK-QGZVFWFLSA-N 1 2 337.423 3.865 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819429262 1136943829 /nfs/dbraw/zinc/94/38/29/1136943829.db2.gz MNIKBJIVIFMTPH-GDBMZVCRSA-N 1 2 340.801 3.748 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819429262 1136943831 /nfs/dbraw/zinc/94/38/31/1136943831.db2.gz MNIKBJIVIFMTPH-GDBMZVCRSA-N 1 2 340.801 3.748 20 0 EHADLO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cccc2[nH+]ccn21 ZINC000777004452 1136946888 /nfs/dbraw/zinc/94/68/88/1136946888.db2.gz APBFQHNVROMVJA-HXUWFJFHSA-N 1 2 345.377 3.993 20 0 EHADLO O=C(/C=C/[C@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000819515210 1136949884 /nfs/dbraw/zinc/94/98/84/1136949884.db2.gz VYHCCHPYXIXBHZ-QZEKMECESA-N 1 2 337.423 3.560 20 0 EHADLO O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc2[nH+]ccn21 ZINC000777010996 1136953764 /nfs/dbraw/zinc/95/37/64/1136953764.db2.gz GADMUXSZFDHHGU-OAHLLOKOSA-N 1 2 333.391 3.511 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(F)c2Cl)[C@@H](CC)CN1C(C)=O ZINC000339011177 1136954755 /nfs/dbraw/zinc/95/47/55/1136954755.db2.gz QEDHFTHKFSXNJP-GJZGRUSLSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(F)c2Cl)[C@@H](CC)CN1C(C)=O ZINC000339011177 1136954756 /nfs/dbraw/zinc/95/47/56/1136954756.db2.gz QEDHFTHKFSXNJP-GJZGRUSLSA-N 1 2 326.843 3.700 20 0 EHADLO CCCc1nc(C)c(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000777014891 1136957943 /nfs/dbraw/zinc/95/79/43/1136957943.db2.gz YJXDPNYMRRLVHO-UHFFFAOYSA-N 1 2 348.472 3.746 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000820018314 1136970479 /nfs/dbraw/zinc/97/04/79/1136970479.db2.gz PNWHAMKPAKEMAA-HIFRSBDPSA-N 1 2 342.468 3.957 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858534342 1136976731 /nfs/dbraw/zinc/97/67/31/1136976731.db2.gz ZVNTZPZRPCUIKR-FQEVSTJZSA-N 1 2 341.455 3.976 20 0 EHADLO C[C@@H](C(=O)O[C@H](C(=O)C1CC1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820393176 1136989772 /nfs/dbraw/zinc/98/97/72/1136989772.db2.gz KQOJXRVYZCQQGW-YGTYGHESSA-N 1 2 329.440 3.511 20 0 EHADLO C[C@@H](C(=O)O[C@H](C(=O)C1CC1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000820393176 1136989774 /nfs/dbraw/zinc/98/97/74/1136989774.db2.gz KQOJXRVYZCQQGW-YGTYGHESSA-N 1 2 329.440 3.511 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859089513 1137002713 /nfs/dbraw/zinc/00/27/13/1137002713.db2.gz GOLGEORLGLZKLD-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccnc(F)c1 ZINC000859089513 1137002715 /nfs/dbraw/zinc/00/27/15/1137002715.db2.gz GOLGEORLGLZKLD-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)OCc1cccc(OC)c1 ZINC000859132705 1137004475 /nfs/dbraw/zinc/00/44/75/1137004475.db2.gz YMAOVWNJYDJWEN-UHFFFAOYSA-N 1 2 345.443 3.503 20 0 EHADLO Cc1cc(C)c(CNC(=O)OCc2ccc(Br)cc2)c[nH+]1 ZINC000859182154 1137006991 /nfs/dbraw/zinc/00/69/91/1137006991.db2.gz IAAFBYHTZKRAAW-UHFFFAOYSA-N 1 2 349.228 3.887 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201987 1137007322 /nfs/dbraw/zinc/00/73/22/1137007322.db2.gz QEPBFFVRQIHKRW-IRXDYDNUSA-N 1 2 345.418 3.564 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201987 1137007324 /nfs/dbraw/zinc/00/73/24/1137007324.db2.gz QEPBFFVRQIHKRW-IRXDYDNUSA-N 1 2 345.418 3.564 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccnc(F)c2)Cc2ccccc21 ZINC000859346010 1137012197 /nfs/dbraw/zinc/01/21/97/1137012197.db2.gz MOFDCBIPLYESSG-KRWDZBQOSA-N 1 2 342.414 3.662 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccnc(F)c2)Cc2ccccc21 ZINC000859346010 1137012199 /nfs/dbraw/zinc/01/21/99/1137012199.db2.gz MOFDCBIPLYESSG-KRWDZBQOSA-N 1 2 342.414 3.662 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ncc(-c2ccccc2)o1 ZINC000859529277 1137018542 /nfs/dbraw/zinc/01/85/42/1137018542.db2.gz OWRSCAWDZAZAGD-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ncc(-c2ccccc2)o1 ZINC000859529277 1137018544 /nfs/dbraw/zinc/01/85/44/1137018544.db2.gz OWRSCAWDZAZAGD-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO CCc1ccc(OC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c(OC)c1 ZINC000821399829 1137025592 /nfs/dbraw/zinc/02/55/92/1137025592.db2.gz RJDLRLNVPAYWNL-AWEZNQCLSA-N 1 2 342.317 3.553 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)cc2[nH]1 ZINC001136484291 1137035652 /nfs/dbraw/zinc/03/56/52/1137035652.db2.gz TVNVOFFJHBYTOZ-OAHLLOKOSA-N 1 2 328.460 3.672 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)cc2[nH]1 ZINC001136484291 1137035653 /nfs/dbraw/zinc/03/56/53/1137035653.db2.gz TVNVOFFJHBYTOZ-OAHLLOKOSA-N 1 2 328.460 3.672 20 0 EHADLO C[C@H](C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093567 1137043954 /nfs/dbraw/zinc/04/39/54/1137043954.db2.gz DREXSVKFEVKFIL-OLZOCXBDSA-N 1 2 339.480 3.878 20 0 EHADLO C[C@H](C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093567 1137043955 /nfs/dbraw/zinc/04/39/55/1137043955.db2.gz DREXSVKFEVKFIL-OLZOCXBDSA-N 1 2 339.480 3.878 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000821996345 1137046560 /nfs/dbraw/zinc/04/65/60/1137046560.db2.gz DWSLRDOZDMSDIX-NWANDNLSSA-N 1 2 349.356 3.548 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000821996345 1137046562 /nfs/dbraw/zinc/04/65/62/1137046562.db2.gz DWSLRDOZDMSDIX-NWANDNLSSA-N 1 2 349.356 3.548 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@H](c2c(F)cccc2F)C1)n1cc[nH+]c1 ZINC000822012527 1137047061 /nfs/dbraw/zinc/04/70/61/1137047061.db2.gz SVDFOYDGOAKVNW-YOEHRIQHSA-N 1 2 347.409 3.765 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(c3ccc(Cl)cc3)CCC2)c[nH+]1 ZINC001136572266 1137056681 /nfs/dbraw/zinc/05/66/81/1137056681.db2.gz UAFVPIBWCOSLRY-UHFFFAOYSA-N 1 2 345.874 3.818 20 0 EHADLO CSCc1cccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822789978 1137073904 /nfs/dbraw/zinc/07/39/04/1137073904.db2.gz AQNYLECSEPSCPU-QGZVFWFLSA-N 1 2 337.448 3.835 20 0 EHADLO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662527 1137096015 /nfs/dbraw/zinc/09/60/15/1137096015.db2.gz WHZHWRBNSGIJLH-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662527 1137096017 /nfs/dbraw/zinc/09/60/17/1137096017.db2.gz WHZHWRBNSGIJLH-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO CCc1ccc(CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)nc1 ZINC000823354053 1137096094 /nfs/dbraw/zinc/09/60/94/1137096094.db2.gz YQCMVCIIQJJGHQ-UHFFFAOYSA-N 1 2 334.423 3.832 20 0 EHADLO C[C@@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)C1CCCCC1 ZINC000823392597 1137097907 /nfs/dbraw/zinc/09/79/07/1137097907.db2.gz CQZHBYPPEJGPFI-JSGCOSHPSA-N 1 2 337.464 3.560 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccsc2C(F)(F)F)C1 ZINC000861347669 1137102384 /nfs/dbraw/zinc/10/23/84/1137102384.db2.gz LBNLTTSZHSEZGZ-JTQLQIEISA-N 1 2 343.374 3.520 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC000823708093 1137110313 /nfs/dbraw/zinc/11/03/13/1137110313.db2.gz IUUFKLVJGKWVDF-LXPRWKDFSA-N 1 2 344.503 3.668 20 0 EHADLO Oc1ccc(N2CC[NH+](Cc3cc4c(cccc4Cl)[nH]3)CC2)cc1 ZINC001136856434 1137132103 /nfs/dbraw/zinc/13/21/03/1137132103.db2.gz JBNBMXBGXLVNBH-UHFFFAOYSA-N 1 2 341.842 3.849 20 0 EHADLO CC(C)O[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)C1 ZINC001136855895 1137132246 /nfs/dbraw/zinc/13/22/46/1137132246.db2.gz ZFWVCLUIQWINLH-NSHDSACASA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)C1 ZINC001136855895 1137132247 /nfs/dbraw/zinc/13/22/47/1137132247.db2.gz ZFWVCLUIQWINLH-NSHDSACASA-N 1 2 334.204 3.727 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cc4c(cccc4Cl)[nH]3)CC2)nc1 ZINC001136862524 1137133984 /nfs/dbraw/zinc/13/39/84/1137133984.db2.gz OOYZKRMFSPAKMX-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)[nH+]c1C ZINC000862250313 1137135301 /nfs/dbraw/zinc/13/53/01/1137135301.db2.gz HUSUKRLMYYSCNL-QGZVFWFLSA-N 1 2 341.480 3.824 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)[nH]c1C ZINC000862250313 1137135302 /nfs/dbraw/zinc/13/53/02/1137135302.db2.gz HUSUKRLMYYSCNL-QGZVFWFLSA-N 1 2 341.480 3.824 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)[nH]c1C ZINC000862250313 1137135304 /nfs/dbraw/zinc/13/53/04/1137135304.db2.gz HUSUKRLMYYSCNL-QGZVFWFLSA-N 1 2 341.480 3.824 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000824395382 1137136530 /nfs/dbraw/zinc/13/65/30/1137136530.db2.gz FISKHAARNFKICA-KRWDZBQOSA-N 1 2 349.450 3.634 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC000824395382 1137136531 /nfs/dbraw/zinc/13/65/31/1137136531.db2.gz FISKHAARNFKICA-KRWDZBQOSA-N 1 2 349.450 3.634 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CC=CC[C@H]3C)CC2)cs1 ZINC000805868372 1137142119 /nfs/dbraw/zinc/14/21/19/1137142119.db2.gz CECLFKKSNRLOGU-PBHICJAKSA-N 1 2 348.512 3.809 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000862400502 1137142766 /nfs/dbraw/zinc/14/27/66/1137142766.db2.gz YNYIDGUJPHDCNB-HZSPNIEDSA-N 1 2 349.475 3.770 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1Cc1cnc(C2CC2)o1 ZINC000862400502 1137142767 /nfs/dbraw/zinc/14/27/67/1137142767.db2.gz YNYIDGUJPHDCNB-HZSPNIEDSA-N 1 2 349.475 3.770 20 0 EHADLO C[C@@H](O)c1ncc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC000862529067 1137148015 /nfs/dbraw/zinc/14/80/15/1137148015.db2.gz AGWWMUJEGSFUJU-SNVBAGLBSA-N 1 2 342.386 3.774 20 0 EHADLO C[C@@H](O)c1ncc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC000862529067 1137148016 /nfs/dbraw/zinc/14/80/16/1137148016.db2.gz AGWWMUJEGSFUJU-SNVBAGLBSA-N 1 2 342.386 3.774 20 0 EHADLO Cc1c(NC(=O)CCc2[nH]cc[nH+]2)cccc1NC(=O)OC(C)(C)C ZINC000862717996 1137154605 /nfs/dbraw/zinc/15/46/05/1137154605.db2.gz DUTGLEXBAORZHQ-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO CCc1nc(C[NH2+]Cc2cnc(CCc3ccccc3)s2)co1 ZINC000825061505 1137164152 /nfs/dbraw/zinc/16/41/52/1137164152.db2.gz HKKCCGIQUYANDD-UHFFFAOYSA-N 1 2 327.453 3.769 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133518 1137166912 /nfs/dbraw/zinc/16/69/12/1137166912.db2.gz IOZQEYXBYZOHSW-AWEZNQCLSA-N 1 2 334.769 3.756 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133518 1137166914 /nfs/dbraw/zinc/16/69/14/1137166914.db2.gz IOZQEYXBYZOHSW-AWEZNQCLSA-N 1 2 334.769 3.756 20 0 EHADLO O=C(c1ccccc1F)C1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC001136999014 1137167601 /nfs/dbraw/zinc/16/76/01/1137167601.db2.gz JMNKHMJPUHRJQG-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO COCCC1CC[NH+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001143335696 1137172316 /nfs/dbraw/zinc/17/23/16/1137172316.db2.gz FAJVUGZEXNZJNY-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO CC(C)(C)c1ccc(CSCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000825512962 1137180705 /nfs/dbraw/zinc/18/07/05/1137180705.db2.gz MRRQAZLTAZJPBB-INIZCTEOSA-N 1 2 343.496 3.675 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CC[N@@H+](Cn1cccnc1=S)C2 ZINC000863318886 1137181100 /nfs/dbraw/zinc/18/11/00/1137181100.db2.gz XIWPZZIDBJIQJF-UHFFFAOYSA-N 1 2 325.359 3.647 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CC[N@H+](Cn1cccnc1=S)C2 ZINC000863318886 1137181101 /nfs/dbraw/zinc/18/11/01/1137181101.db2.gz XIWPZZIDBJIQJF-UHFFFAOYSA-N 1 2 325.359 3.647 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342194 1137182046 /nfs/dbraw/zinc/18/20/46/1137182046.db2.gz YQRAKAYXOHZEEX-HSWBROFVSA-N 1 2 338.546 3.910 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342194 1137182047 /nfs/dbraw/zinc/18/20/47/1137182047.db2.gz YQRAKAYXOHZEEX-HSWBROFVSA-N 1 2 338.546 3.910 20 0 EHADLO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143627460 1137183953 /nfs/dbraw/zinc/18/39/53/1137183953.db2.gz NVIZQPWJNFYEBD-NSHDSACASA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143627460 1137183955 /nfs/dbraw/zinc/18/39/55/1137183955.db2.gz NVIZQPWJNFYEBD-NSHDSACASA-N 1 2 341.789 3.943 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(C(C)C)n(Cc3ccco3)c2=S)C1 ZINC000119465883 1137187086 /nfs/dbraw/zinc/18/70/86/1137187086.db2.gz YWDSFEHLOHBQSC-CQSZACIVSA-N 1 2 334.489 3.868 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(C(C)C)n(Cc3ccco3)c2=S)C1 ZINC000119465883 1137187088 /nfs/dbraw/zinc/18/70/88/1137187088.db2.gz YWDSFEHLOHBQSC-CQSZACIVSA-N 1 2 334.489 3.868 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc(Cl)ccc2OC(F)(F)F)cn1 ZINC001143698816 1137190579 /nfs/dbraw/zinc/19/05/79/1137190579.db2.gz LAWQRVPEAOTAPO-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC(F)(F)F)cn1 ZINC001143698816 1137190581 /nfs/dbraw/zinc/19/05/81/1137190581.db2.gz LAWQRVPEAOTAPO-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000863618547 1137195079 /nfs/dbraw/zinc/19/50/79/1137195079.db2.gz UJDKZOYKFSLNNS-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143839256 1137204779 /nfs/dbraw/zinc/20/47/79/1137204779.db2.gz KUNJRNLTHAFMDR-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143839256 1137204780 /nfs/dbraw/zinc/20/47/80/1137204780.db2.gz KUNJRNLTHAFMDR-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860510 1137204909 /nfs/dbraw/zinc/20/49/09/1137204909.db2.gz PMWWMEVMJAGFHF-ZJUUUORDSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860510 1137204911 /nfs/dbraw/zinc/20/49/11/1137204911.db2.gz PMWWMEVMJAGFHF-ZJUUUORDSA-N 1 2 334.218 3.764 20 0 EHADLO COc1c(F)cc(C[NH+]2CCC(c3nnc(C)o3)CC2)cc1Cl ZINC001143854260 1137206201 /nfs/dbraw/zinc/20/62/01/1137206201.db2.gz RPGOTEBNFUIVDY-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1F ZINC001143896150 1137213004 /nfs/dbraw/zinc/21/30/04/1137213004.db2.gz UIIYXVVKUHAVAV-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1F ZINC001143896150 1137213006 /nfs/dbraw/zinc/21/30/06/1137213006.db2.gz UIIYXVVKUHAVAV-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO Cc1c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930026 1137214271 /nfs/dbraw/zinc/21/42/71/1137214271.db2.gz IIXREVNJSRKGRD-ZDUSSCGKSA-N 1 2 334.332 3.539 20 0 EHADLO Cc1c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930026 1137214272 /nfs/dbraw/zinc/21/42/72/1137214272.db2.gz IIXREVNJSRKGRD-ZDUSSCGKSA-N 1 2 334.332 3.539 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001143946142 1137217313 /nfs/dbraw/zinc/21/73/13/1137217313.db2.gz BFXLUHZHSXHDEV-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001143946142 1137217314 /nfs/dbraw/zinc/21/73/14/1137217314.db2.gz BFXLUHZHSXHDEV-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO O=C1C[C@H](c2cccc(F)c2)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000119907042 1137218738 /nfs/dbraw/zinc/21/87/38/1137218738.db2.gz IARKCZJIAOQIAJ-HNNXBMFYSA-N 1 2 344.455 3.825 20 0 EHADLO O=C1C[C@H](c2cccc(F)c2)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000119907042 1137218739 /nfs/dbraw/zinc/21/87/39/1137218739.db2.gz IARKCZJIAOQIAJ-HNNXBMFYSA-N 1 2 344.455 3.825 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958149 1137218770 /nfs/dbraw/zinc/21/87/70/1137218770.db2.gz XJUOQMMVVBLIPT-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958149 1137218771 /nfs/dbraw/zinc/21/87/71/1137218771.db2.gz XJUOQMMVVBLIPT-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cn1c(=O)oc2cccc(Br)c21 ZINC000794635235 1137222080 /nfs/dbraw/zinc/22/20/80/1137222080.db2.gz VYNPXVZOSPILLU-LLVKDONJSA-N 1 2 339.233 3.579 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cn1c(=O)oc2cccc(Br)c21 ZINC000794635235 1137222082 /nfs/dbraw/zinc/22/20/82/1137222082.db2.gz VYNPXVZOSPILLU-LLVKDONJSA-N 1 2 339.233 3.579 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438373 1137222722 /nfs/dbraw/zinc/22/27/22/1137222722.db2.gz NTLDPNYCMRGMQX-MEBBXXQBSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438373 1137222723 /nfs/dbraw/zinc/22/27/23/1137222723.db2.gz NTLDPNYCMRGMQX-MEBBXXQBSA-N 1 2 346.780 3.927 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794681458 1137225899 /nfs/dbraw/zinc/22/58/99/1137225899.db2.gz DIQSNKIRDVEZPV-CYBMUJFWSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794681458 1137225900 /nfs/dbraw/zinc/22/59/00/1137225900.db2.gz DIQSNKIRDVEZPV-CYBMUJFWSA-N 1 2 325.526 3.529 20 0 EHADLO F[C@H]1CC[N@@H+](C2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)C2)C1 ZINC001143990086 1137225986 /nfs/dbraw/zinc/22/59/86/1137225986.db2.gz FRHKSMVQMHOCHV-ZDUSSCGKSA-N 1 2 336.760 3.587 20 0 EHADLO F[C@H]1CC[N@H+](C2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)C2)C1 ZINC001143990086 1137225987 /nfs/dbraw/zinc/22/59/87/1137225987.db2.gz FRHKSMVQMHOCHV-ZDUSSCGKSA-N 1 2 336.760 3.587 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1ccncc1 ZINC000794682662 1137226064 /nfs/dbraw/zinc/22/60/64/1137226064.db2.gz BHENCBBSIMCXKR-HNNXBMFYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1ccncc1 ZINC000794682662 1137226066 /nfs/dbraw/zinc/22/60/66/1137226066.db2.gz BHENCBBSIMCXKR-HNNXBMFYSA-N 1 2 345.516 3.964 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cccc(Oc3ccc(C)cc3)c2)CCO1 ZINC001144090714 1137236144 /nfs/dbraw/zinc/23/61/44/1137236144.db2.gz PHHURAFVSVXVCW-FQEVSTJZSA-N 1 2 327.424 3.635 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccc(C)cc3)c2)CCO1 ZINC001144090714 1137236146 /nfs/dbraw/zinc/23/61/46/1137236146.db2.gz PHHURAFVSVXVCW-FQEVSTJZSA-N 1 2 327.424 3.635 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138410 1137237989 /nfs/dbraw/zinc/23/79/89/1137237989.db2.gz CWXFDYOQKOLOKS-LBPRGKRZSA-N 1 2 330.255 3.782 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144127122 1137243806 /nfs/dbraw/zinc/24/38/06/1137243806.db2.gz SFZQILNJLOSVPS-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144127122 1137243807 /nfs/dbraw/zinc/24/38/07/1137243807.db2.gz SFZQILNJLOSVPS-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO C[C@H]1C[N@H+](Cn2c(=O)scc2C(F)(F)F)CCc2ccccc21 ZINC000844739921 1137248864 /nfs/dbraw/zinc/24/88/64/1137248864.db2.gz DVPYSAGDPZYJCB-NSHDSACASA-N 1 2 342.386 3.548 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c(=O)scc2C(F)(F)F)CCc2ccccc21 ZINC000844739921 1137248865 /nfs/dbraw/zinc/24/88/65/1137248865.db2.gz DVPYSAGDPZYJCB-NSHDSACASA-N 1 2 342.386 3.548 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)C1 ZINC000844747528 1137249349 /nfs/dbraw/zinc/24/93/49/1137249349.db2.gz LOZDTBOWZFCTQL-BLLLJJGKSA-N 1 2 342.455 3.503 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@]3(CC3(F)F)C2)C1 ZINC000844747528 1137249351 /nfs/dbraw/zinc/24/93/51/1137249351.db2.gz LOZDTBOWZFCTQL-BLLLJJGKSA-N 1 2 342.455 3.503 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(=S)n1C ZINC000844756404 1137249962 /nfs/dbraw/zinc/24/99/62/1137249962.db2.gz AQNOUBDILXSXCF-ZDUSSCGKSA-N 1 2 348.491 3.833 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(=S)n1C ZINC000844756404 1137249964 /nfs/dbraw/zinc/24/99/64/1137249964.db2.gz AQNOUBDILXSXCF-ZDUSSCGKSA-N 1 2 348.491 3.833 20 0 EHADLO O=c1c(Cl)c(Cl)cnn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000120516256 1137277213 /nfs/dbraw/zinc/27/72/13/1137277213.db2.gz MOUNOTVBIGBBNH-UHFFFAOYSA-N 1 2 330.259 3.552 20 0 EHADLO O=c1c(Cl)c(Cl)cnn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000120516256 1137277212 /nfs/dbraw/zinc/27/72/12/1137277212.db2.gz MOUNOTVBIGBBNH-UHFFFAOYSA-N 1 2 330.259 3.552 20 0 EHADLO Cc1nc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)sc1C ZINC001144359923 1137278395 /nfs/dbraw/zinc/27/83/95/1137278395.db2.gz SYFLVGCBXXKBNC-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)sc1C ZINC001144359923 1137278396 /nfs/dbraw/zinc/27/83/96/1137278396.db2.gz SYFLVGCBXXKBNC-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000845268103 1137282662 /nfs/dbraw/zinc/28/26/62/1137282662.db2.gz AHVJMLUSEHGXDU-CJNGLKHVSA-N 1 2 333.863 3.871 20 0 EHADLO CO[C@@H](CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C(F)(F)F ZINC000845271699 1137282995 /nfs/dbraw/zinc/28/29/95/1137282995.db2.gz DWJAPZUOSZTDAH-ZDUSSCGKSA-N 1 2 341.333 3.599 20 0 EHADLO C[C@H](CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000845280128 1137283285 /nfs/dbraw/zinc/28/32/85/1137283285.db2.gz RZRGQMUANZPRAQ-SNVBAGLBSA-N 1 2 341.194 3.567 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ncc(-c2ccccc2)o1)n1cc[nH+]c1 ZINC000845283668 1137283500 /nfs/dbraw/zinc/28/35/00/1137283500.db2.gz YOQDICULSPNQHB-ZIAGYGMSSA-N 1 2 325.368 3.794 20 0 EHADLO C[C@@H](CC(=O)OCc1cc(F)c(C(F)(F)F)cc1F)n1cc[nH+]c1 ZINC000845287040 1137283768 /nfs/dbraw/zinc/28/37/68/1137283768.db2.gz ZKZGXLNUFIJKRD-VIFPVBQESA-N 1 2 348.271 3.875 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cc4c(cc[nH]c4=O)o3)CCCC2)n1 ZINC000865459362 1137285689 /nfs/dbraw/zinc/28/56/89/1137285689.db2.gz FJLSOVFBXVDODB-UHFFFAOYSA-N 1 2 329.425 3.857 20 0 EHADLO CCOc1cc(F)cc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000865462350 1137286005 /nfs/dbraw/zinc/28/60/05/1137286005.db2.gz MBGJQVQXYYVXET-INIZCTEOSA-N 1 2 333.407 3.972 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1Cl ZINC000865465348 1137286353 /nfs/dbraw/zinc/28/63/53/1137286353.db2.gz XWCXZTMXEAPYMS-CRAIPNDOSA-N 1 2 348.878 3.597 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000865510887 1137290342 /nfs/dbraw/zinc/29/03/42/1137290342.db2.gz OWNOVXKRLHADMJ-CHNSCGDPSA-N 1 2 343.279 3.977 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](c2ccccc2)CC1 ZINC000845419919 1137290803 /nfs/dbraw/zinc/29/08/03/1137290803.db2.gz VGGSHMPNMRAYPR-GOSISDBHSA-N 1 2 337.467 3.558 20 0 EHADLO Cc1noc(C)c1C[C@H](C)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865549772 1137294395 /nfs/dbraw/zinc/29/43/95/1137294395.db2.gz VKVYLWFWQCCUQA-ZDUSSCGKSA-N 1 2 337.427 3.737 20 0 EHADLO Cc1noc(C)c1C[C@H](C)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865549772 1137294397 /nfs/dbraw/zinc/29/43/97/1137294397.db2.gz VKVYLWFWQCCUQA-ZDUSSCGKSA-N 1 2 337.427 3.737 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845492195 1137294764 /nfs/dbraw/zinc/29/47/64/1137294764.db2.gz AQXHHKNTJGJPLC-DLBZAZTESA-N 1 2 338.432 3.524 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)o1 ZINC000865592503 1137297397 /nfs/dbraw/zinc/29/73/97/1137297397.db2.gz XSDTXROIFCJVHI-UHFFFAOYSA-N 1 2 332.297 3.955 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000865644999 1137301388 /nfs/dbraw/zinc/30/13/88/1137301388.db2.gz MNSMIAINSPNZPO-MRXNPFEDSA-N 1 2 340.254 3.738 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845651690 1137303622 /nfs/dbraw/zinc/30/36/22/1137303622.db2.gz OLJUONDUOUNEEF-CABCVRRESA-N 1 2 325.819 3.698 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3C[C@H]4[C@@H](C3)C4(F)F)c12 ZINC000845758525 1137309021 /nfs/dbraw/zinc/30/90/21/1137309021.db2.gz XARKCYWNYQERJU-OCAPTIKFSA-N 1 2 343.146 3.838 20 0 EHADLO Cn1c(Cl)ncc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000865790022 1137312220 /nfs/dbraw/zinc/31/22/20/1137312220.db2.gz FYPKXJLBNRRIIA-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(C)cs1)c1cccc(Br)c1 ZINC000865823575 1137314526 /nfs/dbraw/zinc/31/45/26/1137314526.db2.gz GNSWGEFIVZBZHW-CYBMUJFWSA-N 1 2 341.274 3.691 20 0 EHADLO COC(=O)c1cnc(NCc2c[nH+]c(C)cc2C)c(C(F)(F)F)c1 ZINC000865862756 1137317453 /nfs/dbraw/zinc/31/74/53/1137317453.db2.gz RNMNRVOJGPWQBI-UHFFFAOYSA-N 1 2 339.317 3.511 20 0 EHADLO C[N@H+](Cc1cc(Cl)cc(Br)c1)Cc1cnccn1 ZINC001144689618 1137330969 /nfs/dbraw/zinc/33/09/69/1137330969.db2.gz FOAYAQWXOIITGR-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cc(Br)c1)Cc1cnccn1 ZINC001144689618 1137330970 /nfs/dbraw/zinc/33/09/70/1137330970.db2.gz FOAYAQWXOIITGR-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[C@@H](Nc1[nH+]ccc2cc(C(F)(F)F)ccc21)c1nnnn1C1CC1 ZINC000866154373 1137332333 /nfs/dbraw/zinc/33/23/33/1137332333.db2.gz KBBILCLFEOWKLD-SECBINFHSA-N 1 2 348.332 3.748 20 0 EHADLO CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000866230854 1137337023 /nfs/dbraw/zinc/33/70/23/1137337023.db2.gz FUYDRWSAKQDAHO-BEFAXECRSA-N 1 2 331.387 3.655 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(-n2cccn2)cc1 ZINC000866276967 1137342031 /nfs/dbraw/zinc/34/20/31/1137342031.db2.gz YCABSOISKRBMGY-BOUXLOLZSA-N 1 2 337.398 3.995 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(-n2cccn2)cc1 ZINC000866276969 1137342035 /nfs/dbraw/zinc/34/20/35/1137342035.db2.gz YCABSOISKRBMGY-DCPHZVHLSA-N 1 2 337.398 3.995 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc2scnc2c1 ZINC001144743220 1137343198 /nfs/dbraw/zinc/34/31/98/1137343198.db2.gz FOYKZFIBCUAKSX-KRWDZBQOSA-N 1 2 340.448 3.512 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc2scnc2c1 ZINC001144743220 1137343201 /nfs/dbraw/zinc/34/32/01/1137343201.db2.gz FOYKZFIBCUAKSX-KRWDZBQOSA-N 1 2 340.448 3.512 20 0 EHADLO C[C@H](CCc1cccnc1)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000866332906 1137346406 /nfs/dbraw/zinc/34/64/06/1137346406.db2.gz CMYIFIOIHXDGIM-IKGGRYGDSA-N 1 2 340.471 3.523 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)c1F ZINC000866389472 1137351250 /nfs/dbraw/zinc/35/12/50/1137351250.db2.gz GYURRVMARUBSTK-VIFPVBQESA-N 1 2 335.766 3.875 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000866451048 1137355838 /nfs/dbraw/zinc/35/58/38/1137355838.db2.gz OGKGSQNABBATGQ-PIMMBPRGSA-N 1 2 334.489 3.672 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000866483214 1137358182 /nfs/dbraw/zinc/35/81/82/1137358182.db2.gz DNZKQAOHILJVOW-QGZVFWFLSA-N 1 2 341.455 3.616 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccc(/C=C\C(=O)OC)o2)c1 ZINC000846775739 1137364877 /nfs/dbraw/zinc/36/48/77/1137364877.db2.gz USYYFMLTVDXFJP-SREVYHEPSA-N 1 2 332.425 3.726 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(-c2ccccc2)nn1C ZINC000866566438 1137365145 /nfs/dbraw/zinc/36/51/45/1137365145.db2.gz CYQNPXWKKXWKAC-LBPRGKRZSA-N 1 2 345.397 3.609 20 0 EHADLO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(OC)c1OC ZINC000866567706 1137365555 /nfs/dbraw/zinc/36/55/55/1137365555.db2.gz MMHSOGCQWYEVNT-ZDUSSCGKSA-N 1 2 339.386 3.616 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000866581211 1137366682 /nfs/dbraw/zinc/36/66/82/1137366682.db2.gz CSCHPVJFQJJQFF-XOBRGWDASA-N 1 2 348.450 3.965 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(C)n1 ZINC000121624308 1137379043 /nfs/dbraw/zinc/37/90/43/1137379043.db2.gz ZZXJFIPZRRFLHJ-LJQANCHMSA-N 1 2 341.430 3.831 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(C)n1 ZINC000121624308 1137379045 /nfs/dbraw/zinc/37/90/45/1137379045.db2.gz ZZXJFIPZRRFLHJ-LJQANCHMSA-N 1 2 341.430 3.831 20 0 EHADLO CCOC(C[N@H+](CC)Cc1cscc1Br)OCC ZINC000846975935 1137381890 /nfs/dbraw/zinc/38/18/90/1137381890.db2.gz PRJBJQPPALCPOI-UHFFFAOYSA-N 1 2 336.295 3.732 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1cscc1Br)OCC ZINC000846975935 1137381892 /nfs/dbraw/zinc/38/18/92/1137381892.db2.gz PRJBJQPPALCPOI-UHFFFAOYSA-N 1 2 336.295 3.732 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)ncc1Cl ZINC000121715266 1137382747 /nfs/dbraw/zinc/38/27/47/1137382747.db2.gz JVIDCFAKWPJMBQ-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CCC(F)(F)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000847014898 1137382787 /nfs/dbraw/zinc/38/27/87/1137382787.db2.gz QWXNPVXRELAWIW-UHFFFAOYSA-N 1 2 341.789 3.611 20 0 EHADLO COc1cccc2c1C[C@@H](Nc1cc(-c3ccncc3)cc[nH+]1)CO2 ZINC001171313501 1137410848 /nfs/dbraw/zinc/41/08/48/1137410848.db2.gz WDAQNFFVSPPWQP-MRXNPFEDSA-N 1 2 333.391 3.568 20 0 EHADLO Cc1cc(C)cc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001148593995 1137429164 /nfs/dbraw/zinc/42/91/64/1137429164.db2.gz HNMOPMLYCLEFDI-LJQANCHMSA-N 1 2 333.435 3.865 20 0 EHADLO CCO[C@@H]1C[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1(CC)CC ZINC001148989403 1137439215 /nfs/dbraw/zinc/43/92/15/1137439215.db2.gz XYXQHSFNTQUHEE-DLBZAZTESA-N 1 2 329.444 3.619 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000348167145 1137449634 /nfs/dbraw/zinc/44/96/34/1137449634.db2.gz CZNGVDDMTHELMM-LBPRGKRZSA-N 1 2 339.826 3.846 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000348167145 1137449636 /nfs/dbraw/zinc/44/96/36/1137449636.db2.gz CZNGVDDMTHELMM-LBPRGKRZSA-N 1 2 339.826 3.846 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076114 1137450876 /nfs/dbraw/zinc/45/08/76/1137450876.db2.gz SBGYUWQNHMVFOZ-MLGOLLRUSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076114 1137450877 /nfs/dbraw/zinc/45/08/77/1137450877.db2.gz SBGYUWQNHMVFOZ-MLGOLLRUSA-N 1 2 329.362 3.836 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1)c1ccccc1 ZINC000348221973 1137453621 /nfs/dbraw/zinc/45/36/21/1137453621.db2.gz CCEQTKKJXTZPFW-LPWQTFTOSA-N 1 2 344.499 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1)c1ccccc1 ZINC000348221973 1137453622 /nfs/dbraw/zinc/45/36/22/1137453622.db2.gz CCEQTKKJXTZPFW-LPWQTFTOSA-N 1 2 344.499 3.532 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339092137 1137457702 /nfs/dbraw/zinc/45/77/02/1137457702.db2.gz VDBDOZQDEZGFBY-GFCCVEGCSA-N 1 2 339.361 3.591 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c(C)s1 ZINC000773016621 1137459731 /nfs/dbraw/zinc/45/97/31/1137459731.db2.gz QKCNCZJNIUOTCL-MLGOLLRUSA-N 1 2 329.469 3.524 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cnn1-c1ccccc1 ZINC000773137560 1137467870 /nfs/dbraw/zinc/46/78/70/1137467870.db2.gz JMKMDSSQCIACBF-KBPBESRZSA-N 1 2 338.459 3.834 20 0 EHADLO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ncc(Br)s2)s1 ZINC000713632041 1137470433 /nfs/dbraw/zinc/47/04/33/1137470433.db2.gz ZXULEKOVCIXZDS-ZCFIWIBFSA-N 1 2 332.292 3.830 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)Cc1cn(C)nc1Br ZINC000713823952 1137471175 /nfs/dbraw/zinc/47/11/75/1137471175.db2.gz BOQIYGPGDOCUDJ-UHFFFAOYSA-N 1 2 328.279 3.655 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)Cc1cn(C)nc1Br ZINC000713823952 1137471176 /nfs/dbraw/zinc/47/11/76/1137471176.db2.gz BOQIYGPGDOCUDJ-UHFFFAOYSA-N 1 2 328.279 3.655 20 0 EHADLO Cc1cnc(=S)n(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773252721 1137481444 /nfs/dbraw/zinc/48/14/44/1137481444.db2.gz PPHHKBCUNCYLHA-UHFFFAOYSA-N 1 2 332.860 3.716 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773252721 1137481445 /nfs/dbraw/zinc/48/14/45/1137481445.db2.gz PPHHKBCUNCYLHA-UHFFFAOYSA-N 1 2 332.860 3.716 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489171 1137491237 /nfs/dbraw/zinc/49/12/37/1137491237.db2.gz RTKFIMTVFBDVGL-RHSMWYFYSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2[C@@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489171 1137491238 /nfs/dbraw/zinc/49/12/38/1137491238.db2.gz RTKFIMTVFBDVGL-RHSMWYFYSA-N 1 2 333.382 3.741 20 0 EHADLO C[N@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171617538 1137501019 /nfs/dbraw/zinc/50/10/19/1137501019.db2.gz NAXFWEGFEWPKJX-OLZOCXBDSA-N 1 2 334.451 3.998 20 0 EHADLO C[N@@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171617538 1137501020 /nfs/dbraw/zinc/50/10/20/1137501020.db2.gz NAXFWEGFEWPKJX-OLZOCXBDSA-N 1 2 334.451 3.998 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H]2CC(C)(C)CO2)CCCCCC1 ZINC001171719365 1137506129 /nfs/dbraw/zinc/50/61/29/1137506129.db2.gz RMLOPEHZOBEVSW-OAHLLOKOSA-N 1 2 325.493 3.826 20 0 EHADLO Fc1cccc2c1C[C@H]([N@@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808161 1137513940 /nfs/dbraw/zinc/51/39/40/1137513940.db2.gz YIQHVYJOHJIIJI-KUHUBIRLSA-N 1 2 333.353 3.645 20 0 EHADLO Fc1cccc2c1C[C@H]([N@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808161 1137513941 /nfs/dbraw/zinc/51/39/41/1137513941.db2.gz YIQHVYJOHJIIJI-KUHUBIRLSA-N 1 2 333.353 3.645 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001171860293 1137516379 /nfs/dbraw/zinc/51/63/79/1137516379.db2.gz FMILJAFKHDHMTQ-MRXNPFEDSA-N 1 2 339.826 3.738 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001171860293 1137516381 /nfs/dbraw/zinc/51/63/81/1137516381.db2.gz FMILJAFKHDHMTQ-MRXNPFEDSA-N 1 2 339.826 3.738 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]CCCOc1cccc(C(C)(C)C)c1 ZINC001171954938 1137518541 /nfs/dbraw/zinc/51/85/41/1137518541.db2.gz UBUFQZQXNQVFMU-IBGZPJMESA-N 1 2 339.451 3.634 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000871080036 1137521765 /nfs/dbraw/zinc/52/17/65/1137521765.db2.gz KJSSCJSCUOZPAA-YLJYHZDGSA-N 1 2 325.456 3.766 20 0 EHADLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2cccs2)CC1 ZINC000018943102 1137540780 /nfs/dbraw/zinc/54/07/80/1137540780.db2.gz NRDGRQFQRNXMIV-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO CCCCCC[C@H](CCC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001172378241 1137550069 /nfs/dbraw/zinc/55/00/69/1137550069.db2.gz IYKYCZUUNKEUMR-IRXDYDNUSA-N 1 2 343.508 3.990 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2coc(C3CC3)n2)c1C(=O)OC ZINC000871751729 1137557386 /nfs/dbraw/zinc/55/73/86/1137557386.db2.gz OYUUXRMXAXHGNT-UHFFFAOYSA-N 1 2 330.384 3.574 20 0 EHADLO CC(C)[C@@H](C)[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000871852242 1137560556 /nfs/dbraw/zinc/56/05/56/1137560556.db2.gz WTEBAFZSYLAWHP-CHWSQXEVSA-N 1 2 341.293 3.724 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1cc(O)ccc1F)O[C@H](C)C2 ZINC000872020496 1137565083 /nfs/dbraw/zinc/56/50/83/1137565083.db2.gz HLVDBDTZVKAOKM-NEPJUHHUSA-N 1 2 331.387 3.714 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093437 1137570951 /nfs/dbraw/zinc/57/09/51/1137570951.db2.gz VVXUKOPGWXXTML-HZMBPMFUSA-N 1 2 343.320 3.934 20 0 EHADLO Fc1cccc2c(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c21 ZINC001137060535 1137581196 /nfs/dbraw/zinc/58/11/96/1137581196.db2.gz VCIXGSFRRCVEOQ-INIZCTEOSA-N 1 2 337.389 3.612 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000872804291 1137584681 /nfs/dbraw/zinc/58/46/81/1137584681.db2.gz JMCVYRVROVTEOO-DZGCQCFKSA-N 1 2 346.780 3.845 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000872804291 1137584682 /nfs/dbraw/zinc/58/46/82/1137584682.db2.gz JMCVYRVROVTEOO-DZGCQCFKSA-N 1 2 346.780 3.845 20 0 EHADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000873174460 1137592393 /nfs/dbraw/zinc/59/23/93/1137592393.db2.gz PPRLQZIRXCYCBQ-UHFFFAOYSA-N 1 2 331.435 3.684 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3c[nH]nc3-c3cccs3)c2C1 ZINC000873175939 1137592505 /nfs/dbraw/zinc/59/25/05/1137592505.db2.gz WZGTULRPBZLRGG-UHFFFAOYSA-N 1 2 342.468 3.931 20 0 EHADLO CC[C@H](CCc1cccnc1)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000873584340 1137603671 /nfs/dbraw/zinc/60/36/71/1137603671.db2.gz KFJNYRWRXXGHSY-HXUWFJFHSA-N 1 2 349.434 3.895 20 0 EHADLO CC(C)C[C@@H](C(=O)NCc1cccc(OC(C)C)c1)n1cc[nH+]c1 ZINC000874084361 1137610309 /nfs/dbraw/zinc/61/03/09/1137610309.db2.gz BQNJMUZVFMIRNX-SFHVURJKSA-N 1 2 329.444 3.574 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C)CC(F)(F)C3)n2)C1 ZINC000874147118 1137610973 /nfs/dbraw/zinc/61/09/73/1137610973.db2.gz QLVSMWXPTSYIFL-LLVKDONJSA-N 1 2 343.443 3.749 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C)CC(F)(F)C3)n2)C1 ZINC000874147118 1137610974 /nfs/dbraw/zinc/61/09/74/1137610974.db2.gz QLVSMWXPTSYIFL-LLVKDONJSA-N 1 2 343.443 3.749 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000874256332 1137612216 /nfs/dbraw/zinc/61/22/16/1137612216.db2.gz GJLONODEZRFMDD-HXUWFJFHSA-N 1 2 341.430 3.554 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000874323503 1137613025 /nfs/dbraw/zinc/61/30/25/1137613025.db2.gz ACXPDDPOAFTSQF-VBKZILBWSA-N 1 2 341.430 3.623 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000874333223 1137613231 /nfs/dbraw/zinc/61/32/31/1137613231.db2.gz UBFGKUNVZXBKSB-XJKCOSOUSA-N 1 2 349.356 3.896 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000874333223 1137613232 /nfs/dbraw/zinc/61/32/32/1137613232.db2.gz UBFGKUNVZXBKSB-XJKCOSOUSA-N 1 2 349.356 3.896 20 0 EHADLO C[N@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@H]1CCSC1 ZINC000125114764 1137620783 /nfs/dbraw/zinc/62/07/83/1137620783.db2.gz OOILSMUNRAWJLW-JTQLQIEISA-N 1 2 329.441 3.962 20 0 EHADLO C[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@H]1CCSC1 ZINC000125114764 1137620784 /nfs/dbraw/zinc/62/07/84/1137620784.db2.gz OOILSMUNRAWJLW-JTQLQIEISA-N 1 2 329.441 3.962 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874896698 1137625692 /nfs/dbraw/zinc/62/56/92/1137625692.db2.gz PPHMQSOQUBUKMS-INIZCTEOSA-N 1 2 334.341 3.550 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(C)c(N4CCCC4)c3)ccn12 ZINC000874943302 1137626794 /nfs/dbraw/zinc/62/67/94/1137626794.db2.gz UDDIBYMYURJROH-UHFFFAOYSA-N 1 2 334.423 3.804 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@H](C)CO1 ZINC000876757151 1137660697 /nfs/dbraw/zinc/66/06/97/1137660697.db2.gz DGJKTMHYUHJTCS-AUUYWEPGSA-N 1 2 338.407 3.804 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@H](C)CO1 ZINC000876757151 1137660698 /nfs/dbraw/zinc/66/06/98/1137660698.db2.gz DGJKTMHYUHJTCS-AUUYWEPGSA-N 1 2 338.407 3.804 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876811814 1137662478 /nfs/dbraw/zinc/66/24/78/1137662478.db2.gz NMCHHRWTLPVXOO-HNNXBMFYSA-N 1 2 333.794 3.507 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876811814 1137662479 /nfs/dbraw/zinc/66/24/79/1137662479.db2.gz NMCHHRWTLPVXOO-HNNXBMFYSA-N 1 2 333.794 3.507 20 0 EHADLO C[NH+](C)c1ccc(NCc2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC000876837866 1137663332 /nfs/dbraw/zinc/66/33/32/1137663332.db2.gz LBZJXQQIOZYWCG-UHFFFAOYSA-N 1 2 338.377 3.916 20 0 EHADLO CCn1cnnc1-c1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000876846145 1137663488 /nfs/dbraw/zinc/66/34/88/1137663488.db2.gz OANWGJBUPYXCSZ-UHFFFAOYSA-N 1 2 337.427 3.598 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1F ZINC001137875239 1137671861 /nfs/dbraw/zinc/67/18/61/1137671861.db2.gz NGFJNQFRXPAVTH-CYBMUJFWSA-N 1 2 329.362 3.800 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1F ZINC001137875239 1137671862 /nfs/dbraw/zinc/67/18/62/1137671862.db2.gz NGFJNQFRXPAVTH-CYBMUJFWSA-N 1 2 329.362 3.800 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1Br ZINC000877539183 1137680267 /nfs/dbraw/zinc/68/02/67/1137680267.db2.gz KWOBJGOWBXGQFN-HIFRSBDPSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1ccnc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1Br ZINC000877539183 1137680268 /nfs/dbraw/zinc/68/02/68/1137680268.db2.gz KWOBJGOWBXGQFN-HIFRSBDPSA-N 1 2 339.277 3.542 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000877575620 1137681768 /nfs/dbraw/zinc/68/17/68/1137681768.db2.gz ZMXLXTMPIWHYKW-UHFFFAOYSA-N 1 2 347.286 3.794 20 0 EHADLO Clc1csc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000877658745 1137684579 /nfs/dbraw/zinc/68/45/79/1137684579.db2.gz WDDZQGLZKDRBPH-UHFFFAOYSA-N 1 2 346.887 3.596 20 0 EHADLO FC(F)(F)c1ccccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821692 1137691711 /nfs/dbraw/zinc/69/17/11/1137691711.db2.gz OQZIVZJGNGBMDT-GFCCVEGCSA-N 1 2 327.268 3.859 20 0 EHADLO FC(F)(F)c1ccccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821692 1137691712 /nfs/dbraw/zinc/69/17/12/1137691712.db2.gz OQZIVZJGNGBMDT-GFCCVEGCSA-N 1 2 327.268 3.859 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000877949499 1137696726 /nfs/dbraw/zinc/69/67/26/1137696726.db2.gz HXWYXZDWRWJPBR-VQIMIIECSA-N 1 2 349.434 3.688 20 0 EHADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000877949499 1137696727 /nfs/dbraw/zinc/69/67/27/1137696727.db2.gz HXWYXZDWRWJPBR-VQIMIIECSA-N 1 2 349.434 3.688 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nccn2CC(F)F)CC1 ZINC000878036486 1137700234 /nfs/dbraw/zinc/70/02/34/1137700234.db2.gz LTDGSKKLMBGCRR-UHFFFAOYSA-N 1 2 349.425 3.612 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C3(C)CC(F)(F)C3)n2)CC1 ZINC000878042581 1137700351 /nfs/dbraw/zinc/70/03/51/1137700351.db2.gz AUPVZCCZWIXYKY-UHFFFAOYSA-N 1 2 343.443 3.749 20 0 EHADLO CCCO[C@H]1CCC[N@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878088135 1137701872 /nfs/dbraw/zinc/70/18/72/1137701872.db2.gz HFBXLCUSOOEFQB-LBPRGKRZSA-N 1 2 347.322 3.995 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878088135 1137701873 /nfs/dbraw/zinc/70/18/73/1137701873.db2.gz HFBXLCUSOOEFQB-LBPRGKRZSA-N 1 2 347.322 3.995 20 0 EHADLO Clc1ncsc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000878205682 1137707078 /nfs/dbraw/zinc/70/70/78/1137707078.db2.gz JJTSQMQMKGZXSZ-UHFFFAOYSA-N 1 2 330.844 3.962 20 0 EHADLO Clc1ncsc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000878205682 1137707079 /nfs/dbraw/zinc/70/70/79/1137707079.db2.gz JJTSQMQMKGZXSZ-UHFFFAOYSA-N 1 2 330.844 3.962 20 0 EHADLO OCCC[N@H+](Cc1nc2c(o1)CCCC2)Cc1cccc(Cl)c1 ZINC000878274390 1137709375 /nfs/dbraw/zinc/70/93/75/1137709375.db2.gz MEQLWTLTSOLPCK-UHFFFAOYSA-N 1 2 334.847 3.591 20 0 EHADLO OCCC[N@@H+](Cc1nc2c(o1)CCCC2)Cc1cccc(Cl)c1 ZINC000878274390 1137709376 /nfs/dbraw/zinc/70/93/76/1137709376.db2.gz MEQLWTLTSOLPCK-UHFFFAOYSA-N 1 2 334.847 3.591 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338214 1137711365 /nfs/dbraw/zinc/71/13/65/1137711365.db2.gz YNEIUHHMPUANEE-UONOGXRCSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338214 1137711366 /nfs/dbraw/zinc/71/13/66/1137711366.db2.gz YNEIUHHMPUANEE-UONOGXRCSA-N 1 2 326.227 3.587 20 0 EHADLO CC1(C)CO[C@@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000878345348 1137711788 /nfs/dbraw/zinc/71/17/88/1137711788.db2.gz MJYNDWUYTKULKB-AWEZNQCLSA-N 1 2 331.391 3.545 20 0 EHADLO CC(C)([NH2+]Cc1nccn1CC(F)F)c1cccc(Cl)c1F ZINC000878444726 1137716402 /nfs/dbraw/zinc/71/64/02/1137716402.db2.gz OCUQZKPBZMFWNW-UHFFFAOYSA-N 1 2 331.769 3.966 20 0 EHADLO CC(C)(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000878466341 1137717199 /nfs/dbraw/zinc/71/71/99/1137717199.db2.gz OSMUQCWCSXBQCI-UHFFFAOYSA-N 1 2 339.361 3.857 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H](OC4CCC4)CC3)ccc2[nH+]1 ZINC000878566047 1137720589 /nfs/dbraw/zinc/72/05/89/1137720589.db2.gz ZKOYIYBONYXQNE-QGZVFWFLSA-N 1 2 342.443 3.598 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878611591 1137722323 /nfs/dbraw/zinc/72/23/23/1137722323.db2.gz SDYBGLFWYLSTLS-HNNXBMFYSA-N 1 2 342.439 3.605 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878611591 1137722324 /nfs/dbraw/zinc/72/23/24/1137722324.db2.gz SDYBGLFWYLSTLS-HNNXBMFYSA-N 1 2 342.439 3.605 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]C(C)(C)c3ccccc3F)cs2)n1 ZINC000878644037 1137723455 /nfs/dbraw/zinc/72/34/55/1137723455.db2.gz SVAWLJQBYNLOMY-UHFFFAOYSA-N 1 2 330.432 3.708 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2s1 ZINC000878686434 1137725168 /nfs/dbraw/zinc/72/51/68/1137725168.db2.gz FNGXKKVHOKWXLT-LBPRGKRZSA-N 1 2 345.493 3.943 20 0 EHADLO CC(C)(C)OC1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000878774114 1137727750 /nfs/dbraw/zinc/72/77/50/1137727750.db2.gz NFSVYYKERZYAHV-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO CC(C)c1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)no1 ZINC000878825112 1137729297 /nfs/dbraw/zinc/72/92/97/1137729297.db2.gz XFEKZFPXESSJHQ-OAHLLOKOSA-N 1 2 339.399 3.558 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997189 1137734652 /nfs/dbraw/zinc/73/46/52/1137734652.db2.gz CCUFUVBQVIKNJR-OAGGEKHMSA-N 1 2 329.362 3.560 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997189 1137734653 /nfs/dbraw/zinc/73/46/53/1137734653.db2.gz CCUFUVBQVIKNJR-OAGGEKHMSA-N 1 2 329.362 3.560 20 0 EHADLO Cc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2ccco2)c(N(C)C)[nH+]1 ZINC000879001583 1137734827 /nfs/dbraw/zinc/73/48/27/1137734827.db2.gz BAHYHLYBHDBNNT-OAHLLOKOSA-N 1 2 328.416 3.664 20 0 EHADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000879169234 1137739984 /nfs/dbraw/zinc/73/99/84/1137739984.db2.gz PJYWRRLIHVUUNB-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000879220686 1137741581 /nfs/dbraw/zinc/74/15/81/1137741581.db2.gz XIXOSYXHBCIGHS-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000879220686 1137741582 /nfs/dbraw/zinc/74/15/82/1137741582.db2.gz XIXOSYXHBCIGHS-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001137143829 1137744065 /nfs/dbraw/zinc/74/40/65/1137744065.db2.gz DLANHRFMHPATDZ-QZTJIDSGSA-N 1 2 326.525 3.549 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001137143829 1137744066 /nfs/dbraw/zinc/74/40/66/1137744066.db2.gz DLANHRFMHPATDZ-QZTJIDSGSA-N 1 2 326.525 3.549 20 0 EHADLO c1ccc2c(C[N@H+]3Cc4cccnc4N4CCC[C@H]4C3)nsc2c1 ZINC000879691714 1137755533 /nfs/dbraw/zinc/75/55/33/1137755533.db2.gz IFLLRVIJTNNGNF-HNNXBMFYSA-N 1 2 336.464 3.676 20 0 EHADLO c1ccc2c(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)nsc2c1 ZINC000879691714 1137755534 /nfs/dbraw/zinc/75/55/34/1137755534.db2.gz IFLLRVIJTNNGNF-HNNXBMFYSA-N 1 2 336.464 3.676 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880050246 1137766572 /nfs/dbraw/zinc/76/65/72/1137766572.db2.gz LNJXEXDUKBCNKT-AWEZNQCLSA-N 1 2 344.308 3.634 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880050246 1137766573 /nfs/dbraw/zinc/76/65/73/1137766573.db2.gz LNJXEXDUKBCNKT-AWEZNQCLSA-N 1 2 344.308 3.634 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2OC)o1 ZINC000880173644 1137769848 /nfs/dbraw/zinc/76/98/48/1137769848.db2.gz HGMXLIIATWPNOA-MRXNPFEDSA-N 1 2 332.469 3.926 20 0 EHADLO CCc1cnc(C[N@H+]2CCCSC[C@@H]2c2ccccc2OC)o1 ZINC000880173644 1137769849 /nfs/dbraw/zinc/76/98/49/1137769849.db2.gz HGMXLIIATWPNOA-MRXNPFEDSA-N 1 2 332.469 3.926 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2ncc(-c3ccc(F)cc3)o2)(c2ccccc2)C1 ZINC000880224038 1137771352 /nfs/dbraw/zinc/77/13/52/1137771352.db2.gz AASPLIMIHYCLHD-MSEWRSJXSA-N 1 2 338.382 3.621 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC000880231991 1137771701 /nfs/dbraw/zinc/77/17/01/1137771701.db2.gz CSHWUNREPIGEHG-ZIAGYGMSSA-N 1 2 326.843 3.965 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC000880231991 1137771702 /nfs/dbraw/zinc/77/17/02/1137771702.db2.gz CSHWUNREPIGEHG-ZIAGYGMSSA-N 1 2 326.843 3.965 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000880303437 1137773964 /nfs/dbraw/zinc/77/39/64/1137773964.db2.gz OCEVIVTVNZFQMD-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000880303437 1137773965 /nfs/dbraw/zinc/77/39/65/1137773965.db2.gz OCEVIVTVNZFQMD-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000880365148 1137776412 /nfs/dbraw/zinc/77/64/12/1137776412.db2.gz CRWRUHTTWLAKRR-UHFFFAOYSA-N 1 2 339.439 3.601 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000880366421 1137776427 /nfs/dbraw/zinc/77/64/27/1137776427.db2.gz JXFAPLPQGLCGOV-UHFFFAOYSA-N 1 2 339.439 3.601 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)n1 ZINC000880371198 1137776832 /nfs/dbraw/zinc/77/68/32/1137776832.db2.gz CLELLTJPEQMIKS-SFHVURJKSA-N 1 2 330.453 3.831 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@]2(C)c2ccccc2)n1 ZINC000880371198 1137776833 /nfs/dbraw/zinc/77/68/33/1137776833.db2.gz CLELLTJPEQMIKS-SFHVURJKSA-N 1 2 330.453 3.831 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000880378757 1137777347 /nfs/dbraw/zinc/77/73/47/1137777347.db2.gz ZRGIBKACTINLBB-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000880378757 1137777348 /nfs/dbraw/zinc/77/73/48/1137777348.db2.gz ZRGIBKACTINLBB-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3Cc4ccccc4N4CCC[C@@H]4C3)no2)cc1 ZINC000880550510 1137781087 /nfs/dbraw/zinc/78/10/87/1137781087.db2.gz SQPUIUOOMKZENX-GOSISDBHSA-N 1 2 346.434 3.721 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3Cc4ccccc4N4CCC[C@@H]4C3)no2)cc1 ZINC000880550510 1137781088 /nfs/dbraw/zinc/78/10/88/1137781088.db2.gz SQPUIUOOMKZENX-GOSISDBHSA-N 1 2 346.434 3.721 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCc2ccccc21 ZINC000626133296 1137788739 /nfs/dbraw/zinc/78/87/39/1137788739.db2.gz KVPSGIBFUJWCMR-CXAGYDPISA-N 1 2 343.496 3.940 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCc2ccccc21 ZINC000626133296 1137788740 /nfs/dbraw/zinc/78/87/40/1137788740.db2.gz KVPSGIBFUJWCMR-CXAGYDPISA-N 1 2 343.496 3.940 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128649611 1137791252 /nfs/dbraw/zinc/79/12/52/1137791252.db2.gz GDEYCLRDHCSWFJ-DEQJRXDXSA-N 1 2 342.826 3.818 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(Cl)nc4)C[C@H]3O2)n1 ZINC001137164378 1137803844 /nfs/dbraw/zinc/80/38/44/1137803844.db2.gz TUZICLOQRNLOJD-RRFJBIMHSA-N 1 2 349.887 3.852 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(Cl)nc4)C[C@H]3O2)n1 ZINC001137164378 1137803845 /nfs/dbraw/zinc/80/38/45/1137803845.db2.gz TUZICLOQRNLOJD-RRFJBIMHSA-N 1 2 349.887 3.852 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)no1 ZINC001137167926 1137811796 /nfs/dbraw/zinc/81/17/96/1137811796.db2.gz BHHXEJWEQBVXSQ-SNVBAGLBSA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)no1 ZINC001137167926 1137811797 /nfs/dbraw/zinc/81/17/97/1137811797.db2.gz BHHXEJWEQBVXSQ-SNVBAGLBSA-N 1 2 346.740 3.516 20 0 EHADLO C[C@@H](Cc1ccsc1)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137167550 1137811827 /nfs/dbraw/zinc/81/18/27/1137811827.db2.gz MVIXPRKFSLDAKV-HNNXBMFYSA-N 1 2 339.464 3.566 20 0 EHADLO C[C@@H]1c2sccc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000882183871 1137823090 /nfs/dbraw/zinc/82/30/90/1137823090.db2.gz YJKOORUSHLRWNX-CQSZACIVSA-N 1 2 337.448 3.752 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000025453263 1137832004 /nfs/dbraw/zinc/83/20/04/1137832004.db2.gz NMIQAQOFEIAGQL-INIZCTEOSA-N 1 2 328.485 3.888 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000025453263 1137832005 /nfs/dbraw/zinc/83/20/05/1137832005.db2.gz NMIQAQOFEIAGQL-INIZCTEOSA-N 1 2 328.485 3.888 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cccc(=O)[nH]1 ZINC001212789966 1137833778 /nfs/dbraw/zinc/83/37/78/1137833778.db2.gz LQFDHLYLXWVELD-UHFFFAOYSA-N 1 2 333.189 3.558 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000882826716 1137835288 /nfs/dbraw/zinc/83/52/88/1137835288.db2.gz NUVMPVICHVHCCO-UHFFFAOYSA-N 1 2 336.292 3.609 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873330 1137836377 /nfs/dbraw/zinc/83/63/77/1137836377.db2.gz XMZSJCRSDKLPJD-HKUYNNGSSA-N 1 2 343.471 3.582 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(Br)n1)c1c(F)cccc1F ZINC000131096379 1137846386 /nfs/dbraw/zinc/84/63/86/1137846386.db2.gz OEWDDOBZFHEFKY-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000131275970 1137849647 /nfs/dbraw/zinc/84/96/47/1137849647.db2.gz FLLOESCJGPTCRL-JTXXYJNRSA-N 1 2 337.291 3.931 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000131275970 1137849648 /nfs/dbraw/zinc/84/96/48/1137849648.db2.gz FLLOESCJGPTCRL-JTXXYJNRSA-N 1 2 337.291 3.931 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1 ZINC000131277505 1137849720 /nfs/dbraw/zinc/84/97/20/1137849720.db2.gz PHCXXJPAHCJCGT-CYBMUJFWSA-N 1 2 342.270 3.500 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1 ZINC000131277505 1137849721 /nfs/dbraw/zinc/84/97/21/1137849721.db2.gz PHCXXJPAHCJCGT-CYBMUJFWSA-N 1 2 342.270 3.500 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3ccsc3[C@H]2C)c1C ZINC000883247992 1137850405 /nfs/dbraw/zinc/85/04/05/1137850405.db2.gz DNFYYDRWYVLLNR-CYBMUJFWSA-N 1 2 345.468 3.597 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]C2(c3ncccn3)CCC2)cc1OC ZINC000883313861 1137854234 /nfs/dbraw/zinc/85/42/34/1137854234.db2.gz OKXSPRMZSRUBQI-AWEZNQCLSA-N 1 2 327.428 3.532 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)cc1 ZINC000883342301 1137855995 /nfs/dbraw/zinc/85/59/95/1137855995.db2.gz RQRRAXMLNVYVCB-CQSZACIVSA-N 1 2 333.457 3.633 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c[nH+]c1C ZINC000883341850 1137856074 /nfs/dbraw/zinc/85/60/74/1137856074.db2.gz BFRWNZPAZFSRJQ-LBPRGKRZSA-N 1 2 340.395 3.868 20 0 EHADLO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)CCCC2 ZINC000883346577 1137856289 /nfs/dbraw/zinc/85/62/89/1137856289.db2.gz COLLLHHKOAWUAY-SJCJKPOMSA-N 1 2 329.444 3.854 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(Br)cn1 ZINC000883366412 1137857780 /nfs/dbraw/zinc/85/77/80/1137857780.db2.gz SYLKCMGFJUTDAG-GLQYFDAESA-N 1 2 325.250 3.596 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc2c(c1)CCC(=O)N2C ZINC000883377249 1137858012 /nfs/dbraw/zinc/85/80/12/1137858012.db2.gz CFBZWGAOYOGXFZ-UHFFFAOYSA-N 1 2 341.480 3.856 20 0 EHADLO CCC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000626183200 1137869739 /nfs/dbraw/zinc/86/97/39/1137869739.db2.gz VPWASKOSPAYVEQ-QGZVFWFLSA-N 1 2 333.863 3.969 20 0 EHADLO CC[NH+](CC)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000102678619 1137873769 /nfs/dbraw/zinc/87/37/69/1137873769.db2.gz SGKUTZSVEYWUNB-UHFFFAOYSA-N 1 2 333.457 3.678 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000105068262 1137880135 /nfs/dbraw/zinc/88/01/35/1137880135.db2.gz NJPMMOWCQBNWAM-ZDUSSCGKSA-N 1 2 348.397 3.612 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272721 1137891795 /nfs/dbraw/zinc/89/17/95/1137891795.db2.gz ZFMVWBDSYCFYHB-CZUORRHYSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272721 1137891796 /nfs/dbraw/zinc/89/17/96/1137891796.db2.gz ZFMVWBDSYCFYHB-CZUORRHYSA-N 1 2 347.459 3.514 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000112536098 1137908408 /nfs/dbraw/zinc/90/84/08/1137908408.db2.gz BYAOUJBXQRSDSK-UWVGGRQHSA-N 1 2 329.322 3.731 20 0 EHADLO Cc1csc(C2([NH2+]Cc3nc4ccccc4n3C)CCCC2)n1 ZINC000112711192 1137909534 /nfs/dbraw/zinc/90/95/34/1137909534.db2.gz HGMBDQSKSRYNHP-UHFFFAOYSA-N 1 2 326.469 3.897 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000114708557 1137918463 /nfs/dbraw/zinc/91/84/63/1137918463.db2.gz TVINZESPFJYLQQ-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000114708557 1137918464 /nfs/dbraw/zinc/91/84/64/1137918464.db2.gz TVINZESPFJYLQQ-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114804053 1137919066 /nfs/dbraw/zinc/91/90/66/1137919066.db2.gz NEOHHJYCFUZBBW-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000331941108 1137926361 /nfs/dbraw/zinc/92/63/61/1137926361.db2.gz RINONPQOBIIMOV-SFHVURJKSA-N 1 2 332.492 3.979 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331953571 1137926757 /nfs/dbraw/zinc/92/67/57/1137926757.db2.gz PBKOPMYDPBPOPR-NJAFHUGGSA-N 1 2 347.503 3.593 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331972165 1137927273 /nfs/dbraw/zinc/92/72/73/1137927273.db2.gz RGERJQMZMKURPW-MRXNPFEDSA-N 1 2 328.460 3.620 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331972165 1137927274 /nfs/dbraw/zinc/92/72/74/1137927274.db2.gz RGERJQMZMKURPW-MRXNPFEDSA-N 1 2 328.460 3.620 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000331987139 1137927837 /nfs/dbraw/zinc/92/78/37/1137927837.db2.gz UESCMNNKVZBEEI-MRXNPFEDSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000331987139 1137927838 /nfs/dbraw/zinc/92/78/38/1137927838.db2.gz UESCMNNKVZBEEI-MRXNPFEDSA-N 1 2 329.444 3.885 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332439774 1137944030 /nfs/dbraw/zinc/94/40/30/1137944030.db2.gz HQRIWENOSHRTRZ-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332439774 1137944031 /nfs/dbraw/zinc/94/40/31/1137944031.db2.gz HQRIWENOSHRTRZ-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000333237625 1137959009 /nfs/dbraw/zinc/95/90/09/1137959009.db2.gz VVQXWVRKNXZEMS-SCLBCKFNSA-N 1 2 337.427 3.788 20 0 EHADLO O[C@H](C[N@H+](Cc1nccs1)Cc1ccccc1)c1cccs1 ZINC000135142851 1137964094 /nfs/dbraw/zinc/96/40/94/1137964094.db2.gz VHEKTCXQCUWNOV-OAHLLOKOSA-N 1 2 330.478 3.940 20 0 EHADLO O[C@H](C[N@@H+](Cc1nccs1)Cc1ccccc1)c1cccs1 ZINC000135142851 1137964095 /nfs/dbraw/zinc/96/40/95/1137964095.db2.gz VHEKTCXQCUWNOV-OAHLLOKOSA-N 1 2 330.478 3.940 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000135649840 1137977702 /nfs/dbraw/zinc/97/77/02/1137977702.db2.gz RKTJCBJYCXTDAY-IBGZPJMESA-N 1 2 348.450 3.521 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000135649840 1137977703 /nfs/dbraw/zinc/97/77/03/1137977703.db2.gz RKTJCBJYCXTDAY-IBGZPJMESA-N 1 2 348.450 3.521 20 0 EHADLO C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H](O)C[C@H]3c3cccc(F)c3)sc2C1 ZINC000348344347 1137990035 /nfs/dbraw/zinc/99/00/35/1137990035.db2.gz OQMSWQILQJXVIJ-PVUWLOKVSA-N 1 2 346.471 3.715 20 0 EHADLO C[C@@H]1CCc2nc(C[N@H+]3C[C@@H](O)C[C@H]3c3cccc(F)c3)sc2C1 ZINC000348344347 1137990036 /nfs/dbraw/zinc/99/00/36/1137990036.db2.gz OQMSWQILQJXVIJ-PVUWLOKVSA-N 1 2 346.471 3.715 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1c(Cl)cccc1C(F)(F)F ZINC000885417358 1138000978 /nfs/dbraw/zinc/00/09/78/1138000978.db2.gz ZZKLVFXUPWMZOE-UHFFFAOYSA-N 1 2 332.709 3.802 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)ccc1N1CCC(C)CC1)n1cc[nH+]c1 ZINC000885635742 1138013381 /nfs/dbraw/zinc/01/33/81/1138013381.db2.gz VHBVFOHSQZZVSQ-HNNXBMFYSA-N 1 2 344.434 3.848 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c(F)c1OC ZINC000885992472 1138030880 /nfs/dbraw/zinc/03/08/80/1138030880.db2.gz IOADKIQQISMSEJ-GFCCVEGCSA-N 1 2 343.402 3.580 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c(F)c1OC ZINC000886188359 1138057169 /nfs/dbraw/zinc/05/71/69/1138057169.db2.gz QDIPEIULOQIYEF-YJBOKZPZSA-N 1 2 333.378 3.958 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000886439252 1138077758 /nfs/dbraw/zinc/07/77/58/1138077758.db2.gz SHMBYMDUWKSXJG-MRXNPFEDSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000886439252 1138077761 /nfs/dbraw/zinc/07/77/61/1138077761.db2.gz SHMBYMDUWKSXJG-MRXNPFEDSA-N 1 2 325.239 3.862 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000067441594 1138080868 /nfs/dbraw/zinc/08/08/68/1138080868.db2.gz MWENWSUUQVCBLT-ZIAGYGMSSA-N 1 2 337.423 3.652 20 0 EHADLO c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000886536939 1138092312 /nfs/dbraw/zinc/09/23/12/1138092312.db2.gz QRRZBBPWGNWSCS-LJQANCHMSA-N 1 2 332.451 3.688 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000072976968 1138109996 /nfs/dbraw/zinc/10/99/96/1138109996.db2.gz DBYZEBUPUZCSAT-OAHLLOKOSA-N 1 2 338.879 3.644 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000072976968 1138109998 /nfs/dbraw/zinc/10/99/98/1138109998.db2.gz DBYZEBUPUZCSAT-OAHLLOKOSA-N 1 2 338.879 3.644 20 0 EHADLO C[C@H](C1CC1)N(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000073590033 1138115033 /nfs/dbraw/zinc/11/50/33/1138115033.db2.gz IJRNBRZWPWFXES-OAHLLOKOSA-N 1 2 342.487 3.544 20 0 EHADLO CSCc1nnc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)[nH]1 ZINC000886753851 1138131698 /nfs/dbraw/zinc/13/16/98/1138131698.db2.gz XPSMEIPIGSEYEK-MNOVXSKESA-N 1 2 347.513 3.559 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000886793532 1138142004 /nfs/dbraw/zinc/14/20/04/1138142004.db2.gz NECMYAAEVNYXKE-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000886793532 1138142005 /nfs/dbraw/zinc/14/20/05/1138142005.db2.gz NECMYAAEVNYXKE-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914720 1138164691 /nfs/dbraw/zinc/16/46/91/1138164691.db2.gz PLCGSJRWFXQVIN-STQMWFEESA-N 1 2 349.837 3.572 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914720 1138164693 /nfs/dbraw/zinc/16/46/93/1138164693.db2.gz PLCGSJRWFXQVIN-STQMWFEESA-N 1 2 349.837 3.572 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091308187 1138218455 /nfs/dbraw/zinc/21/84/55/1138218455.db2.gz DENHIYMRTXJXBE-HNNXBMFYSA-N 1 2 338.455 3.998 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091703354 1138220344 /nfs/dbraw/zinc/22/03/44/1138220344.db2.gz YDCXHULIDLHJQE-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091703354 1138220346 /nfs/dbraw/zinc/22/03/46/1138220346.db2.gz YDCXHULIDLHJQE-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO OC[C@H]1CC[N@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000092763093 1138231688 /nfs/dbraw/zinc/23/16/88/1138231688.db2.gz YVBJXPFQTBLAJW-NSHDSACASA-N 1 2 340.901 3.762 20 0 EHADLO OC[C@H]1CC[N@@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000092763093 1138231691 /nfs/dbraw/zinc/23/16/91/1138231691.db2.gz YVBJXPFQTBLAJW-NSHDSACASA-N 1 2 340.901 3.762 20 0 EHADLO CCCCC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918423 1138232551 /nfs/dbraw/zinc/23/25/51/1138232551.db2.gz OQQACLDKEHHIKY-LLVKDONJSA-N 1 2 342.365 3.535 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769082 1138240986 /nfs/dbraw/zinc/24/09/86/1138240986.db2.gz ULXMKOLNMROKKB-SCLBCKFNSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769082 1138240990 /nfs/dbraw/zinc/24/09/90/1138240990.db2.gz ULXMKOLNMROKKB-SCLBCKFNSA-N 1 2 330.453 3.669 20 0 EHADLO Cc1cnccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121727071 1138249245 /nfs/dbraw/zinc/24/92/45/1138249245.db2.gz SBJVOXKVWKFTQE-OALUTQOASA-N 1 2 347.422 3.637 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C(C)C ZINC000122811005 1138262529 /nfs/dbraw/zinc/26/25/29/1138262529.db2.gz KOQHSVZDOZLPHE-RDTXWAMCSA-N 1 2 328.460 3.606 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(C3CCCC3)no2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333296687 1138274667 /nfs/dbraw/zinc/27/46/67/1138274667.db2.gz LUMISZJJQIJYHP-IIMJZQEZSA-N 1 2 345.487 3.897 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(C3CCCC3)no2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333296687 1138274668 /nfs/dbraw/zinc/27/46/68/1138274668.db2.gz LUMISZJJQIJYHP-IIMJZQEZSA-N 1 2 345.487 3.897 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124128508 1138279980 /nfs/dbraw/zinc/27/99/80/1138279980.db2.gz BOGZCSQJDWDHQL-YJBOKZPZSA-N 1 2 341.455 3.784 20 0 EHADLO CSc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000127092928 1138346313 /nfs/dbraw/zinc/34/63/13/1138346313.db2.gz PNULRBQDJBYVOM-CZUORRHYSA-N 1 2 330.457 3.720 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000263728645 1138351325 /nfs/dbraw/zinc/35/13/25/1138351325.db2.gz PRMPEULVVAUPGN-LBPRGKRZSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000263728645 1138351329 /nfs/dbraw/zinc/35/13/29/1138351329.db2.gz PRMPEULVVAUPGN-LBPRGKRZSA-N 1 2 333.432 3.809 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)s1 ZINC000263733895 1138352424 /nfs/dbraw/zinc/35/24/24/1138352424.db2.gz CMQZDVKGABZBQU-LBPRGKRZSA-N 1 2 332.473 3.738 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4ccccc4C)CCOCC3)ccc2[nH+]1 ZINC000263753196 1138357375 /nfs/dbraw/zinc/35/73/75/1138357375.db2.gz CJABQENOJOZBJD-UHFFFAOYSA-N 1 2 349.434 3.638 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127551911 1138362415 /nfs/dbraw/zinc/36/24/15/1138362415.db2.gz UOUMGQOAKHCKJV-DOTOQJQBSA-N 1 2 342.443 3.787 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263915415 1138391801 /nfs/dbraw/zinc/39/18/01/1138391801.db2.gz BKVFNKWLCQWKJB-CQSZACIVSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000128555186 1138393023 /nfs/dbraw/zinc/39/30/23/1138393023.db2.gz BZASVJFDTKABRP-YJBOKZPZSA-N 1 2 342.443 3.785 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CCCC2)c1 ZINC000263935988 1138394888 /nfs/dbraw/zinc/39/48/88/1138394888.db2.gz GJJFWBULPWPDDB-QGZVFWFLSA-N 1 2 337.467 3.936 20 0 EHADLO CN1CC[N@H+](Cc2csc(-c3ccccn3)n2)Cc2ccccc21 ZINC000263948013 1138396338 /nfs/dbraw/zinc/39/63/38/1138396338.db2.gz VMBKVCMPSQZBJE-UHFFFAOYSA-N 1 2 336.464 3.657 20 0 EHADLO CN1CC[N@@H+](Cc2csc(-c3ccccn3)n2)Cc2ccccc21 ZINC000263948013 1138396342 /nfs/dbraw/zinc/39/63/42/1138396342.db2.gz VMBKVCMPSQZBJE-UHFFFAOYSA-N 1 2 336.464 3.657 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263959163 1138398224 /nfs/dbraw/zinc/39/82/24/1138398224.db2.gz VJLQRPZVAKLFND-LBPRGKRZSA-N 1 2 342.830 3.575 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000263961480 1138398698 /nfs/dbraw/zinc/39/86/98/1138398698.db2.gz QOAHVRSKHZDJNQ-DLBZAZTESA-N 1 2 326.444 3.696 20 0 EHADLO CC(C)[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000264047423 1138410961 /nfs/dbraw/zinc/41/09/61/1138410961.db2.gz GWQWNGMXBDAYPV-UHFFFAOYSA-N 1 2 329.341 3.995 20 0 EHADLO CC(C)[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000264047423 1138410964 /nfs/dbraw/zinc/41/09/64/1138410964.db2.gz GWQWNGMXBDAYPV-UHFFFAOYSA-N 1 2 329.341 3.995 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC000264150351 1138429206 /nfs/dbraw/zinc/42/92/06/1138429206.db2.gz CVNGMASHPFGMBX-HNNXBMFYSA-N 1 2 347.459 3.645 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC000264150351 1138429212 /nfs/dbraw/zinc/42/92/12/1138429212.db2.gz CVNGMASHPFGMBX-HNNXBMFYSA-N 1 2 347.459 3.645 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264220823 1138446614 /nfs/dbraw/zinc/44/66/14/1138446614.db2.gz JCANYWIWHXPONX-APWZRJJASA-N 1 2 345.487 3.732 20 0 EHADLO CCCc1occc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000337038540 1138453091 /nfs/dbraw/zinc/45/30/91/1138453091.db2.gz IYKVIRAZUHISFM-CQSZACIVSA-N 1 2 332.469 3.813 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2cccc(C)c2)cs1 ZINC000130453824 1138455688 /nfs/dbraw/zinc/45/56/88/1138455688.db2.gz ADKGUPMSLVUGIW-UHFFFAOYSA-N 1 2 331.485 3.849 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000264266277 1138459082 /nfs/dbraw/zinc/45/90/82/1138459082.db2.gz SVWKRWRZXWCPJA-IXDOHACOSA-N 1 2 345.487 3.590 20 0 EHADLO CC(C)CN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000264274342 1138460906 /nfs/dbraw/zinc/46/09/06/1138460906.db2.gz VHPSCAVXLANWJW-INIZCTEOSA-N 1 2 345.487 3.732 20 0 EHADLO O=C(NCc1c(F)cccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337106118 1138467128 /nfs/dbraw/zinc/46/71/28/1138467128.db2.gz IIJQSSPOOGCTMU-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccsc1 ZINC000337128639 1138473289 /nfs/dbraw/zinc/47/32/89/1138473289.db2.gz ABUAABZRIGISBZ-LSDHHAIUSA-N 1 2 343.496 3.791 20 0 EHADLO Clc1cccnc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337169624 1138484368 /nfs/dbraw/zinc/48/43/68/1138484368.db2.gz CDUXWAOQAROHIR-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000337171969 1138485058 /nfs/dbraw/zinc/48/50/58/1138485058.db2.gz GHDDICJOSMIYTC-QZTJIDSGSA-N 1 2 344.480 3.865 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000337171969 1138485060 /nfs/dbraw/zinc/48/50/60/1138485060.db2.gz GHDDICJOSMIYTC-QZTJIDSGSA-N 1 2 344.480 3.865 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000337190266 1138490417 /nfs/dbraw/zinc/49/04/17/1138490417.db2.gz SIKGEBJRIIZFNH-AWEZNQCLSA-N 1 2 333.382 3.736 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(C)cs1 ZINC000264369427 1138491477 /nfs/dbraw/zinc/49/14/77/1138491477.db2.gz LGVHILWJXPGPAP-TZMCWYRMSA-N 1 2 347.484 3.911 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199504 1138493784 /nfs/dbraw/zinc/49/37/84/1138493784.db2.gz DQDWCEYHAWEENU-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199504 1138493787 /nfs/dbraw/zinc/49/37/87/1138493787.db2.gz DQDWCEYHAWEENU-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(F)(c3cccc(OC)c3)CC2)o1 ZINC000337211473 1138496427 /nfs/dbraw/zinc/49/64/27/1138496427.db2.gz DOIYSEREFJTZHC-CYBMUJFWSA-N 1 2 333.407 3.662 20 0 EHADLO Cc1cnc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)s1 ZINC000337368034 1138546840 /nfs/dbraw/zinc/54/68/40/1138546840.db2.gz NGYBEYSIZRATPZ-GFCCVEGCSA-N 1 2 339.258 3.827 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000337429440 1138566812 /nfs/dbraw/zinc/56/68/12/1138566812.db2.gz UMNHBUZPDSUBNB-HUUCEWRRSA-N 1 2 344.434 3.589 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000337501412 1138587824 /nfs/dbraw/zinc/58/78/24/1138587824.db2.gz MBOLHYPVFWDKBB-ASOLHLAKSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000337501412 1138587828 /nfs/dbraw/zinc/58/78/28/1138587828.db2.gz MBOLHYPVFWDKBB-ASOLHLAKSA-N 1 2 345.430 3.952 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C)c1c(Cl)cccc1Cl ZINC000337512145 1138591042 /nfs/dbraw/zinc/59/10/42/1138591042.db2.gz JPDDXLOKDVGOJJ-SECBINFHSA-N 1 2 336.226 3.886 20 0 EHADLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1cc2ccccc2s1 ZINC000337518375 1138592838 /nfs/dbraw/zinc/59/28/38/1138592838.db2.gz SBVXLFUHZZBUED-CYBMUJFWSA-N 1 2 340.452 3.769 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000337536569 1138598425 /nfs/dbraw/zinc/59/84/25/1138598425.db2.gz GUMJFGPTEMYOBM-KRWDZBQOSA-N 1 2 332.469 3.596 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000337536569 1138598427 /nfs/dbraw/zinc/59/84/27/1138598427.db2.gz GUMJFGPTEMYOBM-KRWDZBQOSA-N 1 2 332.469 3.596 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000337542192 1138600048 /nfs/dbraw/zinc/60/00/48/1138600048.db2.gz JHPXYQLHPQOAFG-XFXZXTDPSA-N 1 2 336.361 3.524 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCn2nc(C)nc2C1 ZINC000337542192 1138600050 /nfs/dbraw/zinc/60/00/50/1138600050.db2.gz JHPXYQLHPQOAFG-XFXZXTDPSA-N 1 2 336.361 3.524 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264686130 1138604327 /nfs/dbraw/zinc/60/43/27/1138604327.db2.gz BNABTXJKIGHNHA-OAHLLOKOSA-N 1 2 342.443 3.918 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000264704113 1138611280 /nfs/dbraw/zinc/61/12/80/1138611280.db2.gz KLKFAGYGXKADHO-VXGBXAGGSA-N 1 2 348.415 3.759 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000264704113 1138611284 /nfs/dbraw/zinc/61/12/84/1138611284.db2.gz KLKFAGYGXKADHO-VXGBXAGGSA-N 1 2 348.415 3.759 20 0 EHADLO CC(C)[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(F)cc1 ZINC000337599263 1138617319 /nfs/dbraw/zinc/61/73/19/1138617319.db2.gz IDFHNMQFVFMKHV-GOSISDBHSA-N 1 2 338.386 3.534 20 0 EHADLO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264724466 1138617568 /nfs/dbraw/zinc/61/75/68/1138617568.db2.gz LPNHZDKRFJGFLJ-GFCCVEGCSA-N 1 2 347.850 3.541 20 0 EHADLO CCC1(CC)CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000337626428 1138625634 /nfs/dbraw/zinc/62/56/34/1138625634.db2.gz JUCSEMXPZQARHO-OAHLLOKOSA-N 1 2 326.444 3.559 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264762520 1138631368 /nfs/dbraw/zinc/63/13/68/1138631368.db2.gz UMMRUIDKYLLUTA-OAHLLOKOSA-N 1 2 335.411 3.612 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000264986531 1138695172 /nfs/dbraw/zinc/69/51/72/1138695172.db2.gz MBJWETPRMALTTG-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000264986531 1138695175 /nfs/dbraw/zinc/69/51/75/1138695175.db2.gz MBJWETPRMALTTG-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000337960791 1138709537 /nfs/dbraw/zinc/70/95/37/1138709537.db2.gz ZYMQZMLWRJWRQZ-GOSISDBHSA-N 1 2 344.455 3.723 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337984732 1138716947 /nfs/dbraw/zinc/71/69/47/1138716947.db2.gz RSGMRMWBXJJJGH-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO Clc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)cc2c1OCCO2 ZINC000338137720 1138762932 /nfs/dbraw/zinc/76/29/32/1138762932.db2.gz TXIRCJHGKGCLJS-UHFFFAOYSA-N 1 2 341.798 3.909 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265282930 1138794849 /nfs/dbraw/zinc/79/48/49/1138794849.db2.gz WWHUVPYLVMODAQ-CQSZACIVSA-N 1 2 338.411 3.554 20 0 EHADLO COc1cc(Cl)c(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000338244919 1138799756 /nfs/dbraw/zinc/79/97/56/1138799756.db2.gz HFWCHPWPEVVLRP-UHFFFAOYSA-N 1 2 334.803 3.930 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCOCC2(CC2)C1 ZINC000338296933 1138822028 /nfs/dbraw/zinc/82/20/28/1138822028.db2.gz OKSFBFUOLSHFRP-GFCCVEGCSA-N 1 2 333.432 3.518 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCOCC2(CC2)C1 ZINC000338296933 1138822033 /nfs/dbraw/zinc/82/20/33/1138822033.db2.gz OKSFBFUOLSHFRP-GFCCVEGCSA-N 1 2 333.432 3.518 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000137077833 1138832491 /nfs/dbraw/zinc/83/24/91/1138832491.db2.gz QFCQSHKWOIHPGS-HNNXBMFYSA-N 1 2 337.851 3.712 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000137077833 1138832496 /nfs/dbraw/zinc/83/24/96/1138832496.db2.gz QFCQSHKWOIHPGS-HNNXBMFYSA-N 1 2 337.851 3.712 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCCOc2ccc(C)c(C)c2)[nH]1 ZINC000338329415 1138836167 /nfs/dbraw/zinc/83/61/67/1138836167.db2.gz OTYMWJWZMQRAEF-GOSISDBHSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCCOc2ccc(C)c(C)c2)[nH]1 ZINC000338329415 1138836177 /nfs/dbraw/zinc/83/61/77/1138836177.db2.gz OTYMWJWZMQRAEF-GOSISDBHSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1cc(N[C@@H](c2nccn2C)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000265400473 1138858403 /nfs/dbraw/zinc/85/84/03/1138858403.db2.gz XXMQGQKBTILVTR-QGZVFWFLSA-N 1 2 337.402 3.737 20 0 EHADLO O=C(COc1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394063 1138885393 /nfs/dbraw/zinc/88/53/93/1138885393.db2.gz KGXQDZPBXAIOFT-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150856081 1138987454 /nfs/dbraw/zinc/98/74/54/1138987454.db2.gz VREVOVAGBUDEHF-JKSUJKDBSA-N 1 2 336.439 3.996 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151552888 1139042974 /nfs/dbraw/zinc/04/29/74/1139042974.db2.gz WWCUNTQAYZDZQK-LZLYRXPVSA-N 1 2 326.444 3.545 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151553005 1139043160 /nfs/dbraw/zinc/04/31/60/1139043160.db2.gz WWCUNTQAYZDZQK-JFIYKMOQSA-N 1 2 326.444 3.545 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000888071332 1139070476 /nfs/dbraw/zinc/07/04/76/1139070476.db2.gz JVWGVGGRBDVAEW-NHYWBVRUSA-N 1 2 338.333 3.531 20 0 EHADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1cccnc1 ZINC000152468562 1139092744 /nfs/dbraw/zinc/09/27/44/1139092744.db2.gz TZDROTBMSJSKKJ-DYVFJYSZSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1cccnc1 ZINC000152468562 1139092751 /nfs/dbraw/zinc/09/27/51/1139092751.db2.gz TZDROTBMSJSKKJ-DYVFJYSZSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152849092 1139110807 /nfs/dbraw/zinc/11/08/07/1139110807.db2.gz WULUVOILVUSNPZ-BEFAXECRSA-N 1 2 338.455 3.553 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cccc(Oc2ccccc2)n1 ZINC000889470089 1139212342 /nfs/dbraw/zinc/21/23/42/1139212342.db2.gz RDKUOGBPBZPMLI-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H]1C1CCC1 ZINC000889558505 1139233178 /nfs/dbraw/zinc/23/31/78/1139233178.db2.gz OSFPSKTZUKASRY-BZSNNMDCSA-N 1 2 342.487 3.779 20 0 EHADLO CN(CC1CCCC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889560306 1139234008 /nfs/dbraw/zinc/23/40/08/1139234008.db2.gz XMGRKWRSNAUMDE-QAQDUYKDSA-N 1 2 330.476 3.636 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC001137260232 1139302331 /nfs/dbraw/zinc/30/23/31/1139302331.db2.gz IRLOZUOZAPBFNN-UHFFFAOYSA-N 1 2 342.867 3.647 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC001137260232 1139302339 /nfs/dbraw/zinc/30/23/39/1139302339.db2.gz IRLOZUOZAPBFNN-UHFFFAOYSA-N 1 2 342.867 3.647 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N(C1CC1)C1CCCC1 ZINC000890259726 1139333874 /nfs/dbraw/zinc/33/38/74/1139333874.db2.gz BAASYWYSDBBZJJ-LJQANCHMSA-N 1 2 338.455 3.741 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000174587765 1139430201 /nfs/dbraw/zinc/43/02/01/1139430201.db2.gz YZPAOKVALHYKMK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000174587765 1139430204 /nfs/dbraw/zinc/43/02/04/1139430204.db2.gz YZPAOKVALHYKMK-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)CCCOc2ccc(F)cc2)cs1 ZINC000175078984 1139462446 /nfs/dbraw/zinc/46/24/46/1139462446.db2.gz OHUXAZCKGBWXER-CYBMUJFWSA-N 1 2 338.448 3.891 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)CCCOc2ccc(F)cc2)cs1 ZINC000175078984 1139462450 /nfs/dbraw/zinc/46/24/50/1139462450.db2.gz OHUXAZCKGBWXER-CYBMUJFWSA-N 1 2 338.448 3.891 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000175248851 1139475339 /nfs/dbraw/zinc/47/53/39/1139475339.db2.gz FHORNJGTOAETNL-STQMWFEESA-N 1 2 340.452 3.678 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000175260034 1139476199 /nfs/dbraw/zinc/47/61/99/1139476199.db2.gz JFVNOSAIUROTJO-HZPDHXFCSA-N 1 2 342.487 3.807 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175259969 1139476251 /nfs/dbraw/zinc/47/62/51/1139476251.db2.gz JFVNOSAIUROTJO-HOTGVXAUSA-N 1 2 342.487 3.807 20 0 EHADLO Cc1ccc2nc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cn2c1 ZINC000175393294 1139487604 /nfs/dbraw/zinc/48/76/04/1139487604.db2.gz YPNOSRBZVLEORN-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1ccc2nc(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cn2c1 ZINC000175393294 1139487605 /nfs/dbraw/zinc/48/76/05/1139487605.db2.gz YPNOSRBZVLEORN-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO CC(C)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000176829566 1139580462 /nfs/dbraw/zinc/58/04/62/1139580462.db2.gz HNXVRGGHKLSUOO-RHSMWYFYSA-N 1 2 333.863 3.729 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(F)c1 ZINC000177628388 1139629457 /nfs/dbraw/zinc/62/94/57/1139629457.db2.gz UZPTYWHYBXCDGX-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(F)c1 ZINC000177628388 1139629461 /nfs/dbraw/zinc/62/94/61/1139629461.db2.gz UZPTYWHYBXCDGX-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cccnc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178056955 1139666666 /nfs/dbraw/zinc/66/66/66/1139666666.db2.gz QPYMXTQJNCGGLR-MSOLQXFVSA-N 1 2 347.422 3.637 20 0 EHADLO O=C(N[C@H]1CC=CCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178403494 1139691978 /nfs/dbraw/zinc/69/19/78/1139691978.db2.gz JPEZDIHFPMFEAB-YTQUADARSA-N 1 2 336.439 3.520 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000178500107 1139699247 /nfs/dbraw/zinc/69/92/47/1139699247.db2.gz OYUYKAIJNANICJ-INIZCTEOSA-N 1 2 332.492 3.650 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@H+](C/C=C/Cl)Cc2ccco2)cc1 ZINC000178513138 1139700703 /nfs/dbraw/zinc/70/07/03/1139700703.db2.gz ZPMKKISVYUDKJZ-WTDSWWLTSA-N 1 2 344.842 3.927 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@@H+](C/C=C/Cl)Cc2ccco2)cc1 ZINC000178513138 1139700709 /nfs/dbraw/zinc/70/07/09/1139700709.db2.gz ZPMKKISVYUDKJZ-WTDSWWLTSA-N 1 2 344.842 3.927 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178924212 1139725998 /nfs/dbraw/zinc/72/59/98/1139725998.db2.gz AWPDFRFQZOHJTM-SJORKVTESA-N 1 2 329.488 3.503 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000179667987 1139773842 /nfs/dbraw/zinc/77/38/42/1139773842.db2.gz PFSMGBSHRKMEEI-GFCCVEGCSA-N 1 2 333.457 3.740 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccnc1 ZINC000181373331 1139902934 /nfs/dbraw/zinc/90/29/34/1139902934.db2.gz DITKNGIBPHWJAQ-GFCCVEGCSA-N 1 2 340.452 3.923 20 0 EHADLO Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc(F)c3F)nc(=O)c2c1C ZINC000181996208 1139944155 /nfs/dbraw/zinc/94/41/55/1139944155.db2.gz PKTIPCGFKVNAQM-SECBINFHSA-N 1 2 349.406 3.730 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CCc1ccccc1 ZINC000182431866 1139971665 /nfs/dbraw/zinc/97/16/65/1139971665.db2.gz QPWPELQIAACABW-ZDUSSCGKSA-N 1 2 344.402 3.587 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CCc1ccccc1 ZINC000182431866 1139971669 /nfs/dbraw/zinc/97/16/69/1139971669.db2.gz QPWPELQIAACABW-ZDUSSCGKSA-N 1 2 344.402 3.587 20 0 EHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000182494041 1139975954 /nfs/dbraw/zinc/97/59/54/1139975954.db2.gz SRPZLQNMASMQEI-AWEZNQCLSA-N 1 2 325.412 3.882 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000182953337 1140003737 /nfs/dbraw/zinc/00/37/37/1140003737.db2.gz DABCURRGQHNNDK-LFVRLGFBSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000182953337 1140003744 /nfs/dbraw/zinc/00/37/44/1140003744.db2.gz DABCURRGQHNNDK-LFVRLGFBSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000182957335 1140004147 /nfs/dbraw/zinc/00/41/47/1140004147.db2.gz DPMAINJKLWCXAH-OAHLLOKOSA-N 1 2 333.439 3.823 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000182957335 1140004153 /nfs/dbraw/zinc/00/41/53/1140004153.db2.gz DPMAINJKLWCXAH-OAHLLOKOSA-N 1 2 333.439 3.823 20 0 EHADLO CC[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCO1 ZINC000183593891 1140048288 /nfs/dbraw/zinc/04/82/88/1140048288.db2.gz ZEJQACWHMVTZJD-TZMCWYRMSA-N 1 2 333.819 3.669 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)o1 ZINC000183709857 1140053741 /nfs/dbraw/zinc/05/37/41/1140053741.db2.gz YHFNVABCFAYXSR-NSHDSACASA-N 1 2 328.441 3.915 20 0 EHADLO C[C@H](CCn1cccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000183946072 1140068952 /nfs/dbraw/zinc/06/89/52/1140068952.db2.gz IJFARZINVYFPIR-MRXNPFEDSA-N 1 2 335.455 3.974 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000184527215 1140107467 /nfs/dbraw/zinc/10/74/67/1140107467.db2.gz WFDZHKXSLYWLIS-KBXCAEBGSA-N 1 2 338.407 3.737 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1)c1ccccc1 ZINC000184597307 1140110973 /nfs/dbraw/zinc/11/09/73/1140110973.db2.gz WKDJEVUZCLEVKL-SZMVWBNQSA-N 1 2 344.455 3.603 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1C)c1ccco1 ZINC000184619417 1140111493 /nfs/dbraw/zinc/11/14/93/1140111493.db2.gz CVVBWCBRPDWDKP-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)o1 ZINC000184790775 1140120601 /nfs/dbraw/zinc/12/06/01/1140120601.db2.gz YDGLPLKJJDYPGI-DYVFJYSZSA-N 1 2 348.418 3.594 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184854951 1140122824 /nfs/dbraw/zinc/12/28/24/1140122824.db2.gz QJSPKZYWRMKENL-LSDHHAIUSA-N 1 2 341.455 3.830 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)c1cccc(Cl)c1F ZINC000185754552 1140168540 /nfs/dbraw/zinc/16/85/40/1140168540.db2.gz VFDDXGOHDLUWRK-UHFFFAOYSA-N 1 2 337.826 3.502 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185938666 1140178689 /nfs/dbraw/zinc/17/86/89/1140178689.db2.gz RUXYGBVZQHHOML-MWLCHTKSSA-N 1 2 349.422 3.650 20 0 EHADLO Cc1cc2occ(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000186095838 1140186211 /nfs/dbraw/zinc/18/62/11/1140186211.db2.gz FVDLLHPFSFHKCL-SCLBCKFNSA-N 1 2 337.423 3.969 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(Cc2cccc(F)c2)CCC1 ZINC000186704834 1140217756 /nfs/dbraw/zinc/21/77/56/1140217756.db2.gz ISUORPQWKCYWIU-UHFFFAOYSA-N 1 2 337.398 3.503 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186951884 1140229529 /nfs/dbraw/zinc/22/95/29/1140229529.db2.gz AYIKMSVQXHFEJM-CYBMUJFWSA-N 1 2 339.464 3.925 20 0 EHADLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187409823 1140254376 /nfs/dbraw/zinc/25/43/76/1140254376.db2.gz WDIIHFFWIHWOJH-OAHLLOKOSA-N 1 2 335.835 3.634 20 0 EHADLO CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H](C)Cc1ccsc1 ZINC000187595873 1140263332 /nfs/dbraw/zinc/26/33/32/1140263332.db2.gz GUIGWDSIQRNWNV-AWEZNQCLSA-N 1 2 342.468 3.559 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000188706694 1140305784 /nfs/dbraw/zinc/30/57/84/1140305784.db2.gz UIDWSMKSGDJBLQ-UHFFFAOYSA-N 1 2 346.862 3.635 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189093711 1140321301 /nfs/dbraw/zinc/32/13/01/1140321301.db2.gz UNVVLRCYTOOOBO-MRXNPFEDSA-N 1 2 326.375 3.551 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189093711 1140321307 /nfs/dbraw/zinc/32/13/07/1140321307.db2.gz UNVVLRCYTOOOBO-MRXNPFEDSA-N 1 2 326.375 3.551 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000189166734 1140325489 /nfs/dbraw/zinc/32/54/89/1140325489.db2.gz FUMKULUJOXFYDU-YOEHRIQHSA-N 1 2 329.444 3.508 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000189880820 1140369548 /nfs/dbraw/zinc/36/95/48/1140369548.db2.gz GKEVUOGVJMWLAX-NRFANRHFSA-N 1 2 347.462 3.843 20 0 EHADLO COCCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189940294 1140373700 /nfs/dbraw/zinc/37/37/00/1140373700.db2.gz LVRDCKDXBRERIH-QGZVFWFLSA-N 1 2 332.469 3.814 20 0 EHADLO COCCOc1ccccc1C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189940294 1140373706 /nfs/dbraw/zinc/37/37/06/1140373706.db2.gz LVRDCKDXBRERIH-QGZVFWFLSA-N 1 2 332.469 3.814 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1OC(F)F ZINC000190752756 1140416761 /nfs/dbraw/zinc/41/67/61/1140416761.db2.gz FPGZCDWBXROYQT-CQSZACIVSA-N 1 2 338.402 3.875 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cn1 ZINC000190923012 1140425087 /nfs/dbraw/zinc/42/50/87/1140425087.db2.gz JMEXZPPJAKYYJP-UHFFFAOYSA-N 1 2 336.439 3.871 20 0 EHADLO C[C@H](O)C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191308918 1140453470 /nfs/dbraw/zinc/45/34/70/1140453470.db2.gz LDAFLFSUXJTGLM-QMMMGPOBSA-N 1 2 338.698 3.757 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1c(Cl)cccc1OC ZINC000191632945 1140476622 /nfs/dbraw/zinc/47/66/22/1140476622.db2.gz KOKKCFXTILRIPU-UHFFFAOYSA-N 1 2 328.243 3.588 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2ncccc2c1 ZINC000192246553 1140514480 /nfs/dbraw/zinc/51/44/80/1140514480.db2.gz LXZYLEPNYBSXHI-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC000192252418 1140515302 /nfs/dbraw/zinc/51/53/02/1140515302.db2.gz YCTYDDZTGXXTNP-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1CC ZINC000193527794 1140579190 /nfs/dbraw/zinc/57/91/90/1140579190.db2.gz GAJUCGVHMFYSPS-QGZVFWFLSA-N 1 2 330.476 3.964 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000266319865 1140668331 /nfs/dbraw/zinc/66/83/31/1140668331.db2.gz WJSDPGDTSQYMBJ-SNAWJCMRSA-N 1 2 344.484 3.583 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)C(C)(C)C ZINC000266438695 1140687345 /nfs/dbraw/zinc/68/73/45/1140687345.db2.gz UTDSQMMZTHUGTI-MRXNPFEDSA-N 1 2 331.504 3.829 20 0 EHADLO CCC[C@H](C)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000266489986 1140693967 /nfs/dbraw/zinc/69/39/67/1140693967.db2.gz JAFIWBJTCNXRFL-AWEZNQCLSA-N 1 2 337.427 3.810 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266973490 1140745952 /nfs/dbraw/zinc/74/59/52/1140745952.db2.gz PMULRJCDPOVSHG-UHFFFAOYSA-N 1 2 328.416 3.608 20 0 EHADLO CC(C)c1oc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)nc1-c1ccccc1 ZINC000267395429 1140786656 /nfs/dbraw/zinc/78/66/56/1140786656.db2.gz PKURTKOJKXZTOQ-INIZCTEOSA-N 1 2 341.455 3.690 20 0 EHADLO CC(C)c1oc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)nc1-c1ccccc1 ZINC000267395429 1140786664 /nfs/dbraw/zinc/78/66/64/1140786664.db2.gz PKURTKOJKXZTOQ-INIZCTEOSA-N 1 2 341.455 3.690 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](c3cccnc3)C(C)C)ccc2[nH+]1 ZINC000267541898 1140802008 /nfs/dbraw/zinc/80/20/08/1140802008.db2.gz AHIGFLNWQXSPOT-QGZVFWFLSA-N 1 2 337.427 3.599 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2csc(Br)c2)cs1 ZINC000267657803 1140817495 /nfs/dbraw/zinc/81/74/95/1140817495.db2.gz WCYVTIKLQONQPZ-MRVPVSSYSA-N 1 2 347.303 3.964 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267720954 1140824820 /nfs/dbraw/zinc/82/48/20/1140824820.db2.gz KZKMLXKPOPHVIP-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=c1cc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)nc2sccn21 ZINC000267724589 1140825472 /nfs/dbraw/zinc/82/54/72/1140825472.db2.gz ASVLFBPMABHZQW-INIZCTEOSA-N 1 2 343.427 3.622 20 0 EHADLO O=c1cc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)nc2sccn21 ZINC000267724589 1140825479 /nfs/dbraw/zinc/82/54/79/1140825479.db2.gz ASVLFBPMABHZQW-INIZCTEOSA-N 1 2 343.427 3.622 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988699 1140862465 /nfs/dbraw/zinc/86/24/65/1140862465.db2.gz XTTLIYZYSJUTPE-SDNFCERYSA-N 1 2 329.465 3.586 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988699 1140862481 /nfs/dbraw/zinc/86/24/81/1140862481.db2.gz XTTLIYZYSJUTPE-SDNFCERYSA-N 1 2 329.465 3.586 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000268093489 1140882507 /nfs/dbraw/zinc/88/25/07/1140882507.db2.gz USQGJZNVQDHIEM-OAHLLOKOSA-N 1 2 344.434 3.565 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268499855 1140947259 /nfs/dbraw/zinc/94/72/59/1140947259.db2.gz AXNOWLOJPYNSSQ-UHFFFAOYSA-N 1 2 328.441 3.516 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2C[C@H]2c2ccccc2)n1 ZINC000268961629 1141035652 /nfs/dbraw/zinc/03/56/52/1141035652.db2.gz ITJYOBIDDJOFHJ-PVAVHDDUSA-N 1 2 329.444 3.791 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2C[C@H]2c2ccccc2)n1 ZINC000268961629 1141035659 /nfs/dbraw/zinc/03/56/59/1141035659.db2.gz ITJYOBIDDJOFHJ-PVAVHDDUSA-N 1 2 329.444 3.791 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3cccs3)n2)cc1 ZINC000269080815 1141061648 /nfs/dbraw/zinc/06/16/48/1141061648.db2.gz KDRIOXUOAJZHTP-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3cccs3)n2)cc1 ZINC000269080815 1141061656 /nfs/dbraw/zinc/06/16/56/1141061656.db2.gz KDRIOXUOAJZHTP-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)cc1 ZINC000270192353 1141190537 /nfs/dbraw/zinc/19/05/37/1141190537.db2.gz IHLJHZRBDKVNNG-VXGBXAGGSA-N 1 2 338.498 3.657 20 0 EHADLO O[C@@H](c1ccccc1)C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000270348312 1141210499 /nfs/dbraw/zinc/21/04/99/1141210499.db2.gz TWJPVWAKVTYFLW-SFHVURJKSA-N 1 2 328.481 3.966 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)oc1C1CC1 ZINC000270604604 1141244174 /nfs/dbraw/zinc/24/41/74/1141244174.db2.gz MKFUFBSFDGQHAK-HNNXBMFYSA-N 1 2 326.396 3.660 20 0 EHADLO c1nc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)oc1C1CC1 ZINC000270604604 1141244177 /nfs/dbraw/zinc/24/41/77/1141244177.db2.gz MKFUFBSFDGQHAK-HNNXBMFYSA-N 1 2 326.396 3.660 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000271167947 1141317725 /nfs/dbraw/zinc/31/77/25/1141317725.db2.gz CQNFMYZSKHBJLJ-GOSISDBHSA-N 1 2 329.419 3.583 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000271167947 1141317732 /nfs/dbraw/zinc/31/77/32/1141317732.db2.gz CQNFMYZSKHBJLJ-GOSISDBHSA-N 1 2 329.419 3.583 20 0 EHADLO CCC1CCC(N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C2CC2)CC1 ZINC000271345253 1141349242 /nfs/dbraw/zinc/34/92/42/1141349242.db2.gz NSXXITNITCPLFK-UHFFFAOYSA-N 1 2 338.455 3.841 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)s1 ZINC000271525240 1141388031 /nfs/dbraw/zinc/38/80/31/1141388031.db2.gz VNSBWWSYBGVNMD-ZANVPECISA-N 1 2 326.412 3.676 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[nH]1 ZINC000271537109 1141391305 /nfs/dbraw/zinc/39/13/05/1141391305.db2.gz QIUMYAOKOGQXCW-GJZGRUSLSA-N 1 2 338.459 3.585 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](c3nc([C@@H]4CCCCS4)no3)C2)cc1 ZINC000273947240 1141451298 /nfs/dbraw/zinc/45/12/98/1141451298.db2.gz IPVALWMDOLIRPT-CVEARBPZSA-N 1 2 345.468 3.601 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](c3nc([C@@H]4CCCCS4)no3)C2)cc1 ZINC000273947240 1141451303 /nfs/dbraw/zinc/45/13/03/1141451303.db2.gz IPVALWMDOLIRPT-CVEARBPZSA-N 1 2 345.468 3.601 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1(C)C ZINC000274127958 1141477631 /nfs/dbraw/zinc/47/76/31/1141477631.db2.gz CANHCVVYQWWUOU-INIZCTEOSA-N 1 2 340.471 3.509 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc3ccsc32)C[C@H]1n1cc[nH+]c1 ZINC000274279374 1141492649 /nfs/dbraw/zinc/49/26/49/1141492649.db2.gz DGNPWVFUVHSMSV-CZUORRHYSA-N 1 2 325.437 3.821 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000274286505 1141493428 /nfs/dbraw/zinc/49/34/28/1141493428.db2.gz ZJXDJEQHTVXBBP-MNOVXSKESA-N 1 2 345.447 3.892 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccsc2C)c2nccn2C)cc1 ZINC000339186651 1141522037 /nfs/dbraw/zinc/52/20/37/1141522037.db2.gz HZWFYZPKZGWRIT-KRWDZBQOSA-N 1 2 327.453 3.678 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cs1 ZINC000274424404 1141524055 /nfs/dbraw/zinc/52/40/55/1141524055.db2.gz MAMAPGDVVJCIRF-LBPRGKRZSA-N 1 2 348.468 3.785 20 0 EHADLO Cc1csc(CCCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000339252194 1141541318 /nfs/dbraw/zinc/54/13/18/1141541318.db2.gz FCDZELJHCPPBQN-UHFFFAOYSA-N 1 2 326.425 3.803 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2cc(Cl)ccn2n1 ZINC000339258714 1141542548 /nfs/dbraw/zinc/54/25/48/1141542548.db2.gz YICAVVTYZJBBNW-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CCCC1 ZINC000348633410 1141558513 /nfs/dbraw/zinc/55/85/13/1141558513.db2.gz JYQGDSDPBXMKMF-MRXNPFEDSA-N 1 2 336.838 3.843 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000349033120 1141624509 /nfs/dbraw/zinc/62/45/09/1141624509.db2.gz YXXZOBZJDLRXKM-OAHLLOKOSA-N 1 2 332.469 3.571 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000349033120 1141624511 /nfs/dbraw/zinc/62/45/11/1141624511.db2.gz YXXZOBZJDLRXKM-OAHLLOKOSA-N 1 2 332.469 3.571 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1OCC ZINC000349028638 1141624639 /nfs/dbraw/zinc/62/46/39/1141624639.db2.gz JFSCXVAYCXJSFB-IBGZPJMESA-N 1 2 339.451 3.561 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1OCC ZINC000349028638 1141624642 /nfs/dbraw/zinc/62/46/42/1141624642.db2.gz JFSCXVAYCXJSFB-IBGZPJMESA-N 1 2 339.451 3.561 20 0 EHADLO FC(F)n1ccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)n1 ZINC000349073258 1141632880 /nfs/dbraw/zinc/63/28/80/1141632880.db2.gz KROFODPCRSDLSD-UHFFFAOYSA-N 1 2 342.393 3.918 20 0 EHADLO FC(F)n1ccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)n1 ZINC000349073258 1141632885 /nfs/dbraw/zinc/63/28/85/1141632885.db2.gz KROFODPCRSDLSD-UHFFFAOYSA-N 1 2 342.393 3.918 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083671 1141636432 /nfs/dbraw/zinc/63/64/32/1141636432.db2.gz YOJGDEMWJOXIHC-PEXHTFQZSA-N 1 2 344.409 3.853 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083671 1141636434 /nfs/dbraw/zinc/63/64/34/1141636434.db2.gz YOJGDEMWJOXIHC-PEXHTFQZSA-N 1 2 344.409 3.853 20 0 EHADLO Nc1cccc2c1CC[N@H+](Cc1ccc(Br)cc1F)C2 ZINC000038032712 202090051 /nfs/dbraw/zinc/09/00/51/202090051.db2.gz KUNSQPKALBLCMD-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc2c1CC[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC000038032712 202090054 /nfs/dbraw/zinc/09/00/54/202090054.db2.gz KUNSQPKALBLCMD-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Cn1ncc2c1nc[nH+]c2SCc1ccc(OC(F)(F)F)cc1 ZINC000026933694 201063151 /nfs/dbraw/zinc/06/31/51/201063151.db2.gz ZTOOZKRZTXWBLK-UHFFFAOYSA-N 1 2 340.330 3.554 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC000044338217 201103099 /nfs/dbraw/zinc/10/30/99/201103099.db2.gz GALXOLJJCJSPCS-GOSISDBHSA-N 1 2 333.435 3.581 20 0 EHADLO CCOc1ccc(CC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000065011385 201150823 /nfs/dbraw/zinc/15/08/23/201150823.db2.gz AKDGOMYOLGUBHO-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3sccc3Br)cc2[nH+]1 ZINC000070164242 201169145 /nfs/dbraw/zinc/16/91/45/201169145.db2.gz SVUHZUCREVMQNA-UHFFFAOYSA-N 1 2 336.214 3.948 20 0 EHADLO Cc1[nH]c2cc(NC(=O)c3sccc3Br)ccc2[nH+]1 ZINC000070164242 201169148 /nfs/dbraw/zinc/16/91/48/201169148.db2.gz SVUHZUCREVMQNA-UHFFFAOYSA-N 1 2 336.214 3.948 20 0 EHADLO COC(=O)c1ccc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000078651477 201191267 /nfs/dbraw/zinc/19/12/67/201191267.db2.gz TYBNIXUWTHQPCD-UHFFFAOYSA-N 1 2 348.358 3.913 20 0 EHADLO O=C(CCc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289154 212287321 /nfs/dbraw/zinc/28/73/21/212287321.db2.gz HLNDVUCYACSZEC-UHFFFAOYSA-N 1 2 329.469 3.700 20 0 EHADLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1 ZINC000072102154 203162241 /nfs/dbraw/zinc/16/22/41/203162241.db2.gz AVUKWONPDCTHAQ-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO CC[C@H](C)Oc1nccnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000527844145 478545114 /nfs/dbraw/zinc/54/51/14/478545114.db2.gz XIQIMAQRSYVXHW-HNNXBMFYSA-N 1 2 337.427 3.511 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000601097779 478654375 /nfs/dbraw/zinc/65/43/75/478654375.db2.gz DIYRVYDYDZGXCZ-CYBMUJFWSA-N 1 2 348.476 3.507 20 0 EHADLO CC[C@H](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000617640363 480307562 /nfs/dbraw/zinc/30/75/62/480307562.db2.gz ZHXKZIRUUXOXFU-AWEZNQCLSA-N 1 2 326.444 3.563 20 0 EHADLO CC(C)C[N@H+](Cc1sc(N(C)C)nc1Cl)Cc1ccccn1 ZINC000055196085 563933908 /nfs/dbraw/zinc/93/39/08/563933908.db2.gz SXASENZGFFJZDV-UHFFFAOYSA-N 1 2 338.908 3.916 20 0 EHADLO CC(C)C[N@@H+](Cc1sc(N(C)C)nc1Cl)Cc1ccccn1 ZINC000055196085 563933910 /nfs/dbraw/zinc/93/39/10/563933910.db2.gz SXASENZGFFJZDV-UHFFFAOYSA-N 1 2 338.908 3.916 20 0 EHADLO O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000181341377 564014018 /nfs/dbraw/zinc/01/40/18/564014018.db2.gz ANSUDGCDVRCHHS-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO CC([NH2+]Cc1ccc(-c2nn[nH]n2)o1)(c1ccccc1)c1ccccc1 ZINC000820433249 599428055 /nfs/dbraw/zinc/42/80/55/599428055.db2.gz WVKLXAAXBXRYIF-UHFFFAOYSA-N 1 2 345.406 3.513 20 0 EHADLO CC(C)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833499079 605065950 /nfs/dbraw/zinc/06/59/50/605065950.db2.gz IESHSXXLBNYQRR-HNNXBMFYSA-N 1 2 345.270 3.582 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000176815153 1032058911 /nfs/dbraw/zinc/05/89/11/1032058911.db2.gz SGKSGHNYFCNPCD-UHFFFAOYSA-N 1 2 348.752 3.870 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000176815153 1032058929 /nfs/dbraw/zinc/05/89/29/1032058929.db2.gz SGKSGHNYFCNPCD-UHFFFAOYSA-N 1 2 348.752 3.870 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)n(C2CCCC2)n1 ZINC000449028091 1032059528 /nfs/dbraw/zinc/05/95/28/1032059528.db2.gz KDPUIPBGCFZNRI-NRFANRHFSA-N 1 2 337.467 3.672 20 0 EHADLO c1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)n(C2CCCC2)n1 ZINC000449028091 1032059538 /nfs/dbraw/zinc/05/95/38/1032059538.db2.gz KDPUIPBGCFZNRI-NRFANRHFSA-N 1 2 337.467 3.672 20 0 EHADLO CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000883411181 956240152 /nfs/dbraw/zinc/24/01/52/956240152.db2.gz RMCQLRQRGAOZNS-UHFFFAOYSA-N 1 2 330.472 3.615 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)ccc2[nH+]1 ZINC000339269912 1014134840 /nfs/dbraw/zinc/13/48/40/1014134840.db2.gz GTCBFXGLAARTMB-UHFFFAOYSA-N 1 2 337.408 3.655 20 0 EHADLO Cc1cn2cc(NC(=O)Cn3ccc4ccc(Cl)cc43)ccc2[nH+]1 ZINC000339273198 1014140165 /nfs/dbraw/zinc/14/01/65/1014140165.db2.gz OENFPBXRNBRHFW-UHFFFAOYSA-N 1 2 338.798 3.890 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(-c4cccc(C)c4)c3C)ccc2[nH+]1 ZINC000339276419 1014143677 /nfs/dbraw/zinc/14/36/77/1014143677.db2.gz WDMNGLICXLYCKH-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000339401965 1014355674 /nfs/dbraw/zinc/35/56/74/1014355674.db2.gz YTVOJZJFTPZIEQ-GOSISDBHSA-N 1 2 329.419 3.626 20 0 EHADLO CCc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)sc1-c1ccccc1 ZINC000654791609 1014401958 /nfs/dbraw/zinc/40/19/58/1014401958.db2.gz ZEMLHXARQWFKFE-UHFFFAOYSA-N 1 2 337.448 3.871 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1nc(C(F)(F)F)cs1 ZINC000274680543 1014536362 /nfs/dbraw/zinc/53/63/62/1014536362.db2.gz ZSDKAOCHHSDNKD-PSASIEDQSA-N 1 2 330.379 3.624 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)cc(C)c1Br ZINC000683175276 1014753896 /nfs/dbraw/zinc/75/38/96/1014753896.db2.gz HXVUANVWKFIPFM-UHFFFAOYSA-N 1 2 336.233 3.681 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195365 1014938900 /nfs/dbraw/zinc/93/89/00/1014938900.db2.gz QSPDMTVTGAWQIZ-DZGCQCFKSA-N 1 2 344.455 3.780 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195365 1014938911 /nfs/dbraw/zinc/93/89/11/1014938911.db2.gz QSPDMTVTGAWQIZ-DZGCQCFKSA-N 1 2 344.455 3.780 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1OCc1ccccc1 ZINC000536672549 1032105732 /nfs/dbraw/zinc/10/57/32/1032105732.db2.gz SVPVAOHUOJQREM-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1OCc1ccccc1 ZINC000536672549 1032105741 /nfs/dbraw/zinc/10/57/41/1032105741.db2.gz SVPVAOHUOJQREM-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000536673577 1032106313 /nfs/dbraw/zinc/10/63/13/1032106313.db2.gz MPTDQBCWBHGRMO-QFIPXVFZSA-N 1 2 347.462 3.679 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000536673577 1032106319 /nfs/dbraw/zinc/10/63/19/1032106319.db2.gz MPTDQBCWBHGRMO-QFIPXVFZSA-N 1 2 347.462 3.679 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)cs1 ZINC000610213020 1014988643 /nfs/dbraw/zinc/98/86/43/1014988643.db2.gz YZNVXLFYFGOICV-UHFFFAOYSA-N 1 2 344.436 3.870 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)cs1 ZINC000610213020 1014988652 /nfs/dbraw/zinc/98/86/52/1014988652.db2.gz YZNVXLFYFGOICV-UHFFFAOYSA-N 1 2 344.436 3.870 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000510097754 1015056904 /nfs/dbraw/zinc/05/69/04/1015056904.db2.gz FGXKFMCYJXFGGU-MRXNPFEDSA-N 1 2 334.529 3.999 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579856467 1015304699 /nfs/dbraw/zinc/30/46/99/1015304699.db2.gz MPVGMYPJFLJSSZ-LBPRGKRZSA-N 1 2 337.826 3.820 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579856467 1015304703 /nfs/dbraw/zinc/30/47/03/1015304703.db2.gz MPVGMYPJFLJSSZ-LBPRGKRZSA-N 1 2 337.826 3.820 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cnn3ccccc13)[C@H]2c1ccccc1 ZINC000179418056 1015382569 /nfs/dbraw/zinc/38/25/69/1015382569.db2.gz RDPGSUPKDAZICN-NRFANRHFSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cnn3ccccc13)[C@H]2c1ccccc1 ZINC000179418056 1015382575 /nfs/dbraw/zinc/38/25/75/1015382575.db2.gz RDPGSUPKDAZICN-NRFANRHFSA-N 1 2 328.419 3.741 20 0 EHADLO Cc1ccnc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000339660739 1015483004 /nfs/dbraw/zinc/48/30/04/1015483004.db2.gz OISJUTUAUGVCPJ-UHFFFAOYSA-N 1 2 347.462 3.759 20 0 EHADLO Cc1ccnc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000339660739 1015483010 /nfs/dbraw/zinc/48/30/10/1015483010.db2.gz OISJUTUAUGVCPJ-UHFFFAOYSA-N 1 2 347.462 3.759 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000683256887 1015548150 /nfs/dbraw/zinc/54/81/50/1015548150.db2.gz QBAMXWQGDCEAHY-WMZOPIPTSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001590603127 990264407 /nfs/dbraw/zinc/26/44/07/990264407.db2.gz QBTDHFJJIFYSSZ-CYBMUJFWSA-N 1 2 347.484 3.777 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001590603127 990264413 /nfs/dbraw/zinc/26/44/13/990264413.db2.gz QBTDHFJJIFYSSZ-CYBMUJFWSA-N 1 2 347.484 3.777 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000179708544 1015551811 /nfs/dbraw/zinc/55/18/11/1015551811.db2.gz RGESYQSUJJYNET-INIZCTEOSA-N 1 2 335.245 3.830 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1Br ZINC000179708544 1015551819 /nfs/dbraw/zinc/55/18/19/1015551819.db2.gz RGESYQSUJJYNET-INIZCTEOSA-N 1 2 335.245 3.830 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C[C@@H]1C ZINC000660719189 1015569428 /nfs/dbraw/zinc/56/94/28/1015569428.db2.gz DDPDTQMCYXZVRW-HZMBPMFUSA-N 1 2 347.684 3.744 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C[C@@H]1C ZINC000660719189 1015569434 /nfs/dbraw/zinc/56/94/34/1015569434.db2.gz DDPDTQMCYXZVRW-HZMBPMFUSA-N 1 2 347.684 3.744 20 0 EHADLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001206803318 1015596854 /nfs/dbraw/zinc/59/68/54/1015596854.db2.gz DEUXATPGTHKQPZ-AWEZNQCLSA-N 1 2 325.428 3.607 20 0 EHADLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CCCC[C@H](F)C1 ZINC001206803318 1015596863 /nfs/dbraw/zinc/59/68/63/1015596863.db2.gz DEUXATPGTHKQPZ-AWEZNQCLSA-N 1 2 325.428 3.607 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccn2C)CC1 ZINC000536679231 1032120290 /nfs/dbraw/zinc/12/02/90/1032120290.db2.gz ZDJINEWJEYYWCJ-LJQANCHMSA-N 1 2 333.426 3.572 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1Cc2ccccc21 ZINC000339847191 1015742104 /nfs/dbraw/zinc/74/21/04/1015742104.db2.gz OWYSFHBXMLWGNL-GOSISDBHSA-N 1 2 341.414 3.880 20 0 EHADLO Cc1cc(C)n(-c2ccc(CC(=O)Nc3c(C)cc(C)[nH+]c3C)cc2)n1 ZINC000521343398 1015776230 /nfs/dbraw/zinc/77/62/30/1015776230.db2.gz DPPKRJKPTXELPO-UHFFFAOYSA-N 1 2 348.450 3.991 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Cl)cs1 ZINC000076584027 1015851654 /nfs/dbraw/zinc/85/16/54/1015851654.db2.gz CXBPVWQSUCGYEG-CQSZACIVSA-N 1 2 339.892 3.762 20 0 EHADLO Cc1cc(CN(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)no1 ZINC000430295745 1015858065 /nfs/dbraw/zinc/85/80/65/1015858065.db2.gz IGDHVJXWUJPOCN-UHFFFAOYSA-N 1 2 330.819 3.535 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000120702562 1015893374 /nfs/dbraw/zinc/89/33/74/1015893374.db2.gz QPYNANOPCYCURZ-HNNXBMFYSA-N 1 2 332.407 3.706 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccn1C1CCCC1 ZINC000183120684 1032133368 /nfs/dbraw/zinc/13/33/68/1032133368.db2.gz POSVFPDMYTXMGK-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)c1nnc(C)s1)CCC2 ZINC000278722333 1032134752 /nfs/dbraw/zinc/13/47/52/1032134752.db2.gz MGQMWAAMHSFWLQ-PWSUYJOCSA-N 1 2 349.456 3.653 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1nnc(C)s1)CCC2 ZINC000278722327 1032135218 /nfs/dbraw/zinc/13/52/18/1032135218.db2.gz MGQMWAAMHSFWLQ-CMPLNLGQSA-N 1 2 349.456 3.653 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(NCC3CC3)[nH+]cn1)CCCO2 ZINC000340026474 1016134782 /nfs/dbraw/zinc/13/47/82/1016134782.db2.gz BCYIEKOWQFDTIM-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(NCC3CC3)nc[nH+]1)CCCO2 ZINC000340026474 1016134790 /nfs/dbraw/zinc/13/47/90/1016134790.db2.gz BCYIEKOWQFDTIM-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514503 1016145400 /nfs/dbraw/zinc/14/54/00/1016145400.db2.gz HUXBXXIPQVLVSO-UHFFFAOYSA-N 1 2 330.391 3.774 20 0 EHADLO Cc1ccsc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582755 1016171467 /nfs/dbraw/zinc/17/14/67/1016171467.db2.gz XZDMGMWXUAVWNH-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cn[nH]c1 ZINC000275248691 1016203651 /nfs/dbraw/zinc/20/36/51/1016203651.db2.gz YDWVSEJVCNXXKL-SNVBAGLBSA-N 1 2 336.317 3.934 20 0 EHADLO C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@@H+]1C ZINC001594245051 998934841 /nfs/dbraw/zinc/93/48/41/998934841.db2.gz FGRSNPADCYKLDK-LSDHHAIUSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@H+]1C ZINC001594245051 998934844 /nfs/dbraw/zinc/93/48/44/998934844.db2.gz FGRSNPADCYKLDK-LSDHHAIUSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245051 998934846 /nfs/dbraw/zinc/93/48/46/998934846.db2.gz FGRSNPADCYKLDK-LSDHHAIUSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245051 998934850 /nfs/dbraw/zinc/93/48/50/998934850.db2.gz FGRSNPADCYKLDK-LSDHHAIUSA-N 1 2 342.439 3.559 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000536683332 1032145836 /nfs/dbraw/zinc/14/58/36/1032145836.db2.gz OXRWYAMAOGVEAB-ZDUSSCGKSA-N 1 2 342.277 3.849 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000536683332 1032145841 /nfs/dbraw/zinc/14/58/41/1032145841.db2.gz OXRWYAMAOGVEAB-ZDUSSCGKSA-N 1 2 342.277 3.849 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCCCn1cc[nH+]c1 ZINC000782870190 1016385559 /nfs/dbraw/zinc/38/55/59/1016385559.db2.gz JBUCTJCTDZDYSN-NSHDSACASA-N 1 2 343.210 3.591 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000648272190 1016410105 /nfs/dbraw/zinc/41/01/05/1016410105.db2.gz XJYKMFJLEMABBY-ZWKOTPCHSA-N 1 2 325.456 3.620 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001204453381 1016443779 /nfs/dbraw/zinc/44/37/79/1016443779.db2.gz WYBSZROLFOIQSD-UHFFFAOYSA-N 1 2 334.460 3.527 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001204453798 1016449862 /nfs/dbraw/zinc/44/98/62/1016449862.db2.gz UPFCMIRBAMVEQD-UHFFFAOYSA-N 1 2 346.471 3.669 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001204453798 1016449870 /nfs/dbraw/zinc/44/98/70/1016449870.db2.gz UPFCMIRBAMVEQD-UHFFFAOYSA-N 1 2 346.471 3.669 20 0 EHADLO Cc1cccc(C)c1OCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340194145 1016666259 /nfs/dbraw/zinc/66/62/59/1016666259.db2.gz DDGFYLQHHQMGBF-INIZCTEOSA-N 1 2 342.468 3.631 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000376593317 1016710745 /nfs/dbraw/zinc/71/07/45/1016710745.db2.gz RSZCPSOBFUXLHG-CXAGYDPISA-N 1 2 330.407 3.700 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000430400188 1016720587 /nfs/dbraw/zinc/72/05/87/1016720587.db2.gz MWRBPLHGZHCFDA-ORYQWCPZSA-N 1 2 345.446 3.597 20 0 EHADLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccccc1 ZINC000178821120 1016789180 /nfs/dbraw/zinc/78/91/80/1016789180.db2.gz IHBLKHFUTNRSDV-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)cc2[nH+]1 ZINC000046326173 1016824761 /nfs/dbraw/zinc/82/47/61/1016824761.db2.gz ZKLXVUSWTSWREY-UHFFFAOYSA-N 1 2 336.395 3.718 20 0 EHADLO Cc1cccc(F)c1C[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000782963450 1016873247 /nfs/dbraw/zinc/87/32/47/1016873247.db2.gz YPGDWDWYETZAPK-UHFFFAOYSA-N 1 2 348.784 3.797 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(Cl)cccc1OC)O[C@H](C)C2 ZINC000237291138 1016943141 /nfs/dbraw/zinc/94/31/41/1016943141.db2.gz PZPMQRBNSGPKNJ-GFCCVEGCSA-N 1 2 347.842 3.970 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1c(F)cccc1F)C2 ZINC000376630368 1016959538 /nfs/dbraw/zinc/95/95/38/1016959538.db2.gz ZYLCDCMICONHSJ-NEPJUHHUSA-N 1 2 347.409 3.794 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1c(F)cccc1F)CC2 ZINC000376630368 1016959554 /nfs/dbraw/zinc/95/95/54/1016959554.db2.gz ZYLCDCMICONHSJ-NEPJUHHUSA-N 1 2 347.409 3.794 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183358561 1032165172 /nfs/dbraw/zinc/16/51/72/1032165172.db2.gz ACZBBXLJTHLIRI-LRDDRELGSA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183358561 1032165181 /nfs/dbraw/zinc/16/51/81/1032165181.db2.gz ACZBBXLJTHLIRI-LRDDRELGSA-N 1 2 336.432 3.643 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)c1 ZINC000183396745 1032168877 /nfs/dbraw/zinc/16/88/77/1032168877.db2.gz PWMDXBPCYOAZEW-OAHLLOKOSA-N 1 2 345.399 3.591 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)c1 ZINC000183396745 1032168890 /nfs/dbraw/zinc/16/88/90/1032168890.db2.gz PWMDXBPCYOAZEW-OAHLLOKOSA-N 1 2 345.399 3.591 20 0 EHADLO Cc1nc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)sc1C ZINC000892729393 1017234792 /nfs/dbraw/zinc/23/47/92/1017234792.db2.gz APZFZSMYPSDBSP-UHFFFAOYSA-N 1 2 344.267 3.795 20 0 EHADLO CC(C)(C)n1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000566135829 1032198500 /nfs/dbraw/zinc/19/85/00/1032198500.db2.gz GNYRJKORDHPXSF-MRXNPFEDSA-N 1 2 337.427 3.522 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000528409706 1032249336 /nfs/dbraw/zinc/24/93/36/1032249336.db2.gz NIMTZUFDJCRYSR-JKSUJKDBSA-N 1 2 344.430 3.818 20 0 EHADLO COc1ccc([C@@H](OC)[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000536767668 1032260374 /nfs/dbraw/zinc/26/03/74/1032260374.db2.gz LZAKJZACEKBRKW-KDOFPFPSSA-N 1 2 329.444 3.527 20 0 EHADLO CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000538271845 1032261682 /nfs/dbraw/zinc/26/16/82/1032261682.db2.gz WCRHTYOINJXAPY-VQIMIIECSA-N 1 2 329.488 3.695 20 0 EHADLO OCC1([C@H]([NH2+]Cc2ncc(C3CC3)o2)c2ccccc2)CCCC1 ZINC000459550379 1032269076 /nfs/dbraw/zinc/26/90/76/1032269076.db2.gz XUAVWVKIBTYPKB-LJQANCHMSA-N 1 2 326.440 3.936 20 0 EHADLO Cc1nc(C[NH2+]Cc2cccc(F)c2Br)sc1C ZINC000449168348 1032283204 /nfs/dbraw/zinc/28/32/04/1032283204.db2.gz MBOOPPCPUICXIA-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO CC(C)Cn1cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cn1 ZINC000278745302 1032281565 /nfs/dbraw/zinc/28/15/65/1032281565.db2.gz MTYCRBCKYTYLJU-SNVBAGLBSA-N 1 2 332.395 3.865 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+]Cc1nccnc1OC ZINC000449193847 1032289165 /nfs/dbraw/zinc/28/91/65/1032289165.db2.gz TUWAPCRPAWYTSR-UHFFFAOYSA-N 1 2 329.444 3.652 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000184385099 1032289277 /nfs/dbraw/zinc/28/92/77/1032289277.db2.gz RUWJCSDJISGWNR-KKSFZXQISA-N 1 2 348.446 3.786 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000184385099 1032289284 /nfs/dbraw/zinc/28/92/84/1032289284.db2.gz RUWJCSDJISGWNR-KKSFZXQISA-N 1 2 348.446 3.786 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000528436927 1032295803 /nfs/dbraw/zinc/29/58/03/1032295803.db2.gz KJSKYWBPQZJYIR-CYBMUJFWSA-N 1 2 329.831 3.713 20 0 EHADLO C[C@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000528437242 1032295883 /nfs/dbraw/zinc/29/58/83/1032295883.db2.gz PEIGRMSOGKWGLI-VIFPVBQESA-N 1 2 348.251 3.841 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184868887 1032327708 /nfs/dbraw/zinc/32/77/08/1032327708.db2.gz QHNKTKYTSZBABD-HNNXBMFYSA-N 1 2 335.407 3.655 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184879017 1032327919 /nfs/dbraw/zinc/32/79/19/1032327919.db2.gz DUHYFKHGOXQGHJ-OAHLLOKOSA-N 1 2 335.407 3.939 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184877613 1032328175 /nfs/dbraw/zinc/32/81/75/1032328175.db2.gz UGLPLKGNJFIPHE-INIZCTEOSA-N 1 2 349.434 3.617 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000528496320 1032357096 /nfs/dbraw/zinc/35/70/96/1032357096.db2.gz ZYFIIPHGATWFJO-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000528496320 1032357108 /nfs/dbraw/zinc/35/71/08/1032357108.db2.gz ZYFIIPHGATWFJO-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1F ZINC000528497779 1032359977 /nfs/dbraw/zinc/35/99/77/1032359977.db2.gz RVPMPQFHCIYEOB-OLZOCXBDSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1F ZINC000528497779 1032359985 /nfs/dbraw/zinc/35/99/85/1032359985.db2.gz RVPMPQFHCIYEOB-OLZOCXBDSA-N 1 2 346.215 3.871 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000536872937 1032376016 /nfs/dbraw/zinc/37/60/16/1032376016.db2.gz XZNWXXIODQWYCU-BONVTDFDSA-N 1 2 343.320 3.950 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528490948 1032382357 /nfs/dbraw/zinc/38/23/57/1032382357.db2.gz YMUCNJPAMQEWJE-KRWDZBQOSA-N 1 2 339.432 3.651 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528490948 1032382348 /nfs/dbraw/zinc/38/23/48/1032382348.db2.gz YMUCNJPAMQEWJE-KRWDZBQOSA-N 1 2 339.432 3.651 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(CC(C)C)s3)[nH+]c12 ZINC001126652768 1032389057 /nfs/dbraw/zinc/38/90/57/1032389057.db2.gz IQQLBGMGVHBRKN-UHFFFAOYSA-N 1 2 341.480 3.875 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252652684 1032395867 /nfs/dbraw/zinc/39/58/67/1032395867.db2.gz FDAQGPBAEBDZCZ-IXDOHACOSA-N 1 2 346.519 3.599 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000185324884 1032393926 /nfs/dbraw/zinc/39/39/26/1032393926.db2.gz HXHOJVHMKNXZME-ZDUSSCGKSA-N 1 2 344.409 3.758 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000185324884 1032393935 /nfs/dbraw/zinc/39/39/35/1032393935.db2.gz HXHOJVHMKNXZME-ZDUSSCGKSA-N 1 2 344.409 3.758 20 0 EHADLO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528519771 1032396716 /nfs/dbraw/zinc/39/67/16/1032396716.db2.gz NMMAVTPEVXMXKS-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528519771 1032396728 /nfs/dbraw/zinc/39/67/28/1032396728.db2.gz NMMAVTPEVXMXKS-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO CCCc1cnc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)s1 ZINC000538485590 1032403768 /nfs/dbraw/zinc/40/37/68/1032403768.db2.gz ZRUZEIUBQHMUCG-CQSZACIVSA-N 1 2 337.876 3.990 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000449297361 1032415773 /nfs/dbraw/zinc/41/57/73/1032415773.db2.gz CLRQPCCSLBWXJT-KXBFYZLASA-N 1 2 349.471 3.707 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CCc4cccc(Cl)c4C3)on2)cnn1C ZINC000459698415 1032423650 /nfs/dbraw/zinc/42/36/50/1032423650.db2.gz ZAPVCLAIVLVNEY-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CCc4cccc(Cl)c4C3)on2)cnn1C ZINC000459698415 1032423652 /nfs/dbraw/zinc/42/36/52/1032423652.db2.gz ZAPVCLAIVLVNEY-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2OC)C[C@@H](C)[S@@]1=O ZINC000449317053 1032450833 /nfs/dbraw/zinc/45/08/33/1032450833.db2.gz AJGGBMSVRMJJGV-SXHVTTPXSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)C[C@@H](C)[S@@]1=O ZINC000449317053 1032450839 /nfs/dbraw/zinc/45/08/39/1032450839.db2.gz AJGGBMSVRMJJGV-SXHVTTPXSA-N 1 2 331.481 3.580 20 0 EHADLO CCC1(c2ccccc2)C[NH+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000459782410 1032466593 /nfs/dbraw/zinc/46/65/93/1032466593.db2.gz ZUHGANAIWQCYFD-UHFFFAOYSA-N 1 2 326.469 3.571 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787681 1032474698 /nfs/dbraw/zinc/47/46/98/1032474698.db2.gz CRDGMTBQAPHGAP-OLZOCXBDSA-N 1 2 342.505 3.650 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787681 1032474701 /nfs/dbraw/zinc/47/47/01/1032474701.db2.gz CRDGMTBQAPHGAP-OLZOCXBDSA-N 1 2 342.505 3.650 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000263819861 1032470725 /nfs/dbraw/zinc/47/07/25/1032470725.db2.gz PTMMLAOQPBFLAR-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1F ZINC000449336558 1032471025 /nfs/dbraw/zinc/47/10/25/1032471025.db2.gz OEIVWMGBRNXAEB-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1F ZINC000449336558 1032471030 /nfs/dbraw/zinc/47/10/30/1032471030.db2.gz OEIVWMGBRNXAEB-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO CSc1ccccc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459770126 1032473278 /nfs/dbraw/zinc/47/32/78/1032473278.db2.gz ZIYZUBBUTGUVIT-UHFFFAOYSA-N 1 2 330.428 3.892 20 0 EHADLO CSc1ccccc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459770126 1032473283 /nfs/dbraw/zinc/47/32/83/1032473283.db2.gz ZIYZUBBUTGUVIT-UHFFFAOYSA-N 1 2 330.428 3.892 20 0 EHADLO CC(C)N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000086364530 1032485804 /nfs/dbraw/zinc/48/58/04/1032485804.db2.gz ZQNPUDFDWGVATL-OAHLLOKOSA-N 1 2 341.858 3.666 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449400767 1032523343 /nfs/dbraw/zinc/52/33/43/1032523343.db2.gz KCCWKVQWDRCUPF-UHFFFAOYSA-N 1 2 341.274 3.903 20 0 EHADLO C[C@@H]1CCc2nc(C[NH2+]Cc3cccc(C(F)(F)F)n3)sc2C1 ZINC000449401595 1032524607 /nfs/dbraw/zinc/52/46/07/1032524607.db2.gz NHLOKGOIYUWHOI-SNVBAGLBSA-N 1 2 341.402 3.972 20 0 EHADLO COc1cc(F)cc(C[NH2+]Cc2nc(C)c(Br)s2)c1 ZINC000449404433 1032527122 /nfs/dbraw/zinc/52/71/22/1032527122.db2.gz ZYTIOJMNTFFVOR-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)c2nc(-c3ccccc3)no2)[nH+]1 ZINC000089641446 1032535062 /nfs/dbraw/zinc/53/50/62/1032535062.db2.gz SNOADWUBCUNOGL-LLVKDONJSA-N 1 2 334.383 3.532 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1c1ccccc1 ZINC000449428278 1032543855 /nfs/dbraw/zinc/54/38/55/1032543855.db2.gz TYYRIWJOKPWZHV-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1c1ccccc1 ZINC000449428278 1032543861 /nfs/dbraw/zinc/54/38/61/1032543861.db2.gz TYYRIWJOKPWZHV-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000592817832 1032590106 /nfs/dbraw/zinc/59/01/06/1032590106.db2.gz ANQKUFVPVLJOFF-CQSZACIVSA-N 1 2 347.409 3.642 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC(c1cccs1)c1cccs1 ZINC000606220262 1032597909 /nfs/dbraw/zinc/59/79/09/1032597909.db2.gz KRVGSOARJZRCTQ-UHFFFAOYSA-N 1 2 331.466 3.692 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nc(C2CC2)n2ccccc12 ZINC000091000649 1032612586 /nfs/dbraw/zinc/61/25/86/1032612586.db2.gz XYOANKRGKSEXOY-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO COc1cccc([C@H](C)OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000761003623 1032613862 /nfs/dbraw/zinc/61/38/62/1032613862.db2.gz UDOHYMWMANAZPN-CVEARBPZSA-N 1 2 339.435 3.746 20 0 EHADLO COc1cccc([C@H](C)OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000761003623 1032613871 /nfs/dbraw/zinc/61/38/71/1032613871.db2.gz UDOHYMWMANAZPN-CVEARBPZSA-N 1 2 339.435 3.746 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1Br)[C@H](C)C2 ZINC000449482783 1032626729 /nfs/dbraw/zinc/62/67/29/1032626729.db2.gz DAMGAXHOXUNCRM-BDJLRTHQSA-N 1 2 334.261 3.514 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000606365849 1032652905 /nfs/dbraw/zinc/65/29/05/1032652905.db2.gz XZJJSTKYVJAPTQ-KRWDZBQOSA-N 1 2 346.515 3.531 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000606365849 1032652916 /nfs/dbraw/zinc/65/29/16/1032652916.db2.gz XZJJSTKYVJAPTQ-KRWDZBQOSA-N 1 2 346.515 3.531 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000606365013 1032653194 /nfs/dbraw/zinc/65/31/94/1032653194.db2.gz GNHZOSARRVNBPS-MRXNPFEDSA-N 1 2 338.451 3.988 20 0 EHADLO Cc1noc(C)c1CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593063912 1032663098 /nfs/dbraw/zinc/66/30/98/1032663098.db2.gz UPYIALDBWOIIAE-UHFFFAOYSA-N 1 2 336.476 3.858 20 0 EHADLO CCSCc1ccnc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602133066 1032664188 /nfs/dbraw/zinc/66/41/88/1032664188.db2.gz LNSHVYYSUQQPCQ-HNNXBMFYSA-N 1 2 332.473 3.757 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)nc1 ZINC000088535295 1017121781 /nfs/dbraw/zinc/12/17/81/1017121781.db2.gz CHCNQERMFPMFJH-OXJNMPFZSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)nc1 ZINC000088535295 1017121785 /nfs/dbraw/zinc/12/17/85/1017121785.db2.gz CHCNQERMFPMFJH-OXJNMPFZSA-N 1 2 326.440 3.751 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376871462 1017170079 /nfs/dbraw/zinc/17/00/79/1017170079.db2.gz GNMBSWBNRRFXHS-HNNXBMFYSA-N 1 2 348.450 3.543 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376871462 1017170082 /nfs/dbraw/zinc/17/00/82/1017170082.db2.gz GNMBSWBNRRFXHS-HNNXBMFYSA-N 1 2 348.450 3.543 20 0 EHADLO Fc1cc(CCNc2cc(C(F)(F)F)cc[nH+]2)c2c(c1)COCO2 ZINC000091430331 1032693878 /nfs/dbraw/zinc/69/38/78/1032693878.db2.gz UJWSYYVBDGDMSJ-UHFFFAOYSA-N 1 2 342.292 3.761 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606450856 1032693325 /nfs/dbraw/zinc/69/33/25/1032693325.db2.gz UNPWNDIURRGJKA-MDZRGWNJSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606450856 1032693337 /nfs/dbraw/zinc/69/33/37/1032693337.db2.gz UNPWNDIURRGJKA-MDZRGWNJSA-N 1 2 344.474 3.926 20 0 EHADLO c1ccc2c(c1)CC[C@]1(CCC[N@@H+](Cc3nnc(C4CC4)s3)C1)O2 ZINC000528728951 1032695224 /nfs/dbraw/zinc/69/52/24/1032695224.db2.gz MGXFGRRYPLNPKK-IBGZPJMESA-N 1 2 341.480 3.775 20 0 EHADLO c1ccc2c(c1)CC[C@]1(CCC[N@H+](Cc3nnc(C4CC4)s3)C1)O2 ZINC000528728951 1032695235 /nfs/dbraw/zinc/69/52/35/1032695235.db2.gz MGXFGRRYPLNPKK-IBGZPJMESA-N 1 2 341.480 3.775 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1)C(F)(F)F ZINC000547928060 1017380044 /nfs/dbraw/zinc/38/00/44/1017380044.db2.gz VIOQIHUSGKPZSY-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450755 1032694624 /nfs/dbraw/zinc/69/46/24/1032694624.db2.gz QAMFZZGPVUTCLZ-CABCVRRESA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450755 1032694641 /nfs/dbraw/zinc/69/46/41/1032694641.db2.gz QAMFZZGPVUTCLZ-CABCVRRESA-N 1 2 338.426 3.723 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000046616924 1017436876 /nfs/dbraw/zinc/43/68/76/1017436876.db2.gz QKWMXFJLAYYCDU-UHFFFAOYSA-N 1 2 337.467 3.778 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377212715 1017463833 /nfs/dbraw/zinc/46/38/33/1017463833.db2.gz CSNUWCXOLLRMOH-ZDUSSCGKSA-N 1 2 341.846 3.724 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377212715 1017463835 /nfs/dbraw/zinc/46/38/35/1017463835.db2.gz CSNUWCXOLLRMOH-ZDUSSCGKSA-N 1 2 341.846 3.724 20 0 EHADLO C[N@H+](CCc1ccccc1)Cc1cc(F)c(O)c(Br)c1 ZINC001232630165 1032704162 /nfs/dbraw/zinc/70/41/62/1032704162.db2.gz LAOFGMQMDWLLAY-UHFFFAOYSA-N 1 2 338.220 3.968 20 0 EHADLO C[N@@H+](CCc1ccccc1)Cc1cc(F)c(O)c(Br)c1 ZINC001232630165 1032704177 /nfs/dbraw/zinc/70/41/77/1032704177.db2.gz LAOFGMQMDWLLAY-UHFFFAOYSA-N 1 2 338.220 3.968 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccccc2N1 ZINC000081794265 1032704914 /nfs/dbraw/zinc/70/49/14/1032704914.db2.gz ZSZDMILOLKMDLC-IBGZPJMESA-N 1 2 346.434 3.969 20 0 EHADLO CN(CC(F)F)C1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000892830444 1017529700 /nfs/dbraw/zinc/52/97/00/1017529700.db2.gz DKLCHJLJNLHHOM-UHFFFAOYSA-N 1 2 348.441 3.607 20 0 EHADLO Cc1cccn2cc(Cc3nc(Cc4ccc(F)cc4C)no3)[nH+]c12 ZINC000683595301 1017586387 /nfs/dbraw/zinc/58/63/87/1017586387.db2.gz RJJLMXPAQUPBLN-UHFFFAOYSA-N 1 2 336.370 3.655 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)o1 ZINC000528737884 1032710704 /nfs/dbraw/zinc/71/07/04/1032710704.db2.gz YNQUJVLDUUYAMP-IBGZPJMESA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)o1 ZINC000528737884 1032710717 /nfs/dbraw/zinc/71/07/17/1032710717.db2.gz YNQUJVLDUUYAMP-IBGZPJMESA-N 1 2 327.428 3.553 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)nn1 ZINC000377298825 1017602632 /nfs/dbraw/zinc/60/26/32/1017602632.db2.gz WWAGTDKQDBGCSK-SFTDATJTSA-N 1 2 348.450 3.586 20 0 EHADLO C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000655796687 1017630426 /nfs/dbraw/zinc/63/04/26/1017630426.db2.gz IRDIOXIYXGSMNY-TYNCELHUSA-N 1 2 334.851 3.591 20 0 EHADLO CCC[C@H](CCc1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795834 1017633251 /nfs/dbraw/zinc/63/32/51/1017633251.db2.gz CZQLAXNQQJFYMG-IAGOWNOFSA-N 1 2 328.460 3.547 20 0 EHADLO CCC[C@H](CCc1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655795836 1017633829 /nfs/dbraw/zinc/63/38/29/1017633829.db2.gz CZQLAXNQQJFYMG-SJORKVTESA-N 1 2 328.460 3.547 20 0 EHADLO CC(C)[C@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000537414964 1032713850 /nfs/dbraw/zinc/71/38/50/1032713850.db2.gz ZHRMSDCKVKUBAM-GUDVDZBRSA-N 1 2 347.499 3.733 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1F ZINC001143377939 1017710426 /nfs/dbraw/zinc/71/04/26/1017710426.db2.gz HIJXNRAEDMQBOO-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO CCc1sc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)nc1-c1ccccc1 ZINC000574097496 1032718525 /nfs/dbraw/zinc/71/85/25/1032718525.db2.gz BCRNVBPJHXIFBN-GFCCVEGCSA-N 1 2 340.452 3.913 20 0 EHADLO CCc1sc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nc1-c1ccccc1 ZINC000574097496 1032718544 /nfs/dbraw/zinc/71/85/44/1032718544.db2.gz BCRNVBPJHXIFBN-GFCCVEGCSA-N 1 2 340.452 3.913 20 0 EHADLO COCc1nc(C[N@@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)cs1 ZINC000626135004 1032722428 /nfs/dbraw/zinc/72/24/28/1032722428.db2.gz RNKBEUVIZLSXMX-KDOFPFPSSA-N 1 2 346.496 3.814 20 0 EHADLO COCc1nc(C[N@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)cs1 ZINC000626135004 1032722440 /nfs/dbraw/zinc/72/24/40/1032722440.db2.gz RNKBEUVIZLSXMX-KDOFPFPSSA-N 1 2 346.496 3.814 20 0 EHADLO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000340449361 1017870531 /nfs/dbraw/zinc/87/05/31/1017870531.db2.gz UUDFOVPFBJEAAH-NWDGAFQWSA-N 1 2 334.366 3.651 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)no1 ZINC000340460390 1017918431 /nfs/dbraw/zinc/91/84/31/1017918431.db2.gz MDYAGCCCOQSVRW-ZQIUZPCESA-N 1 2 345.418 3.525 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000066793050 1017987301 /nfs/dbraw/zinc/98/73/01/1017987301.db2.gz FXVPXURRKSGCRJ-UHFFFAOYSA-N 1 2 339.483 3.801 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000066793050 1017987310 /nfs/dbraw/zinc/98/73/10/1017987310.db2.gz FXVPXURRKSGCRJ-UHFFFAOYSA-N 1 2 339.483 3.801 20 0 EHADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc3ccccc3o2)cc1 ZINC000076546228 1017990901 /nfs/dbraw/zinc/99/09/01/1017990901.db2.gz CNLSUUFKVFFVJN-SFHVURJKSA-N 1 2 337.423 3.622 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795066 1018049005 /nfs/dbraw/zinc/04/90/05/1018049005.db2.gz LEZYQWLZGWKVHC-BFUOFWGJSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795066 1018049020 /nfs/dbraw/zinc/04/90/20/1018049020.db2.gz LEZYQWLZGWKVHC-BFUOFWGJSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795065 1018049507 /nfs/dbraw/zinc/04/95/07/1018049507.db2.gz LEZYQWLZGWKVHC-DJJJIMSYSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795065 1018049517 /nfs/dbraw/zinc/04/95/17/1018049517.db2.gz LEZYQWLZGWKVHC-DJJJIMSYSA-N 1 2 343.377 3.734 20 0 EHADLO Cc1csc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)n1 ZINC000655979422 1018094605 /nfs/dbraw/zinc/09/46/05/1018094605.db2.gz DJHCAGLDWLYUFE-GFCCVEGCSA-N 1 2 334.832 3.806 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000377650817 1018115212 /nfs/dbraw/zinc/11/52/12/1018115212.db2.gz NZDTTWPVGYXDSC-HNNXBMFYSA-N 1 2 330.453 3.834 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000377650817 1018115215 /nfs/dbraw/zinc/11/52/15/1018115215.db2.gz NZDTTWPVGYXDSC-HNNXBMFYSA-N 1 2 330.453 3.834 20 0 EHADLO O=C(CCCc1ccccc1Cl)NCCc1cn2c([nH+]1)CCCC2 ZINC000377666067 1018148705 /nfs/dbraw/zinc/14/87/05/1018148705.db2.gz IGPRVQDXZAIDTI-UHFFFAOYSA-N 1 2 345.874 3.554 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000155558473 1018274829 /nfs/dbraw/zinc/27/48/29/1018274829.db2.gz VYTFWMRNELZYPI-UHFFFAOYSA-N 1 2 349.425 3.930 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932824708 1018300274 /nfs/dbraw/zinc/30/02/74/1018300274.db2.gz NZUKDIJHHDUFDQ-NSHDSACASA-N 1 2 334.382 3.670 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1Br ZINC000377774911 1018348315 /nfs/dbraw/zinc/34/83/15/1018348315.db2.gz FOFOUVMYSAKXHQ-NSHDSACASA-N 1 2 334.217 3.539 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377790057 1018376348 /nfs/dbraw/zinc/37/63/48/1018376348.db2.gz WLMNHCKVHNSNJR-GJZGRUSLSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377790057 1018376364 /nfs/dbraw/zinc/37/63/64/1018376364.db2.gz WLMNHCKVHNSNJR-GJZGRUSLSA-N 1 2 326.362 3.634 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H](C)c1ccc(F)cc1 ZINC000588364471 1018431303 /nfs/dbraw/zinc/43/13/03/1018431303.db2.gz HUKRGFNDTBUTMF-HNNXBMFYSA-N 1 2 339.414 3.934 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000606580422 1032764577 /nfs/dbraw/zinc/76/45/77/1032764577.db2.gz ODOCJIUUILZHFH-CQSZACIVSA-N 1 2 342.399 3.832 20 0 EHADLO COc1ccc(-n2cnnc2SCCc2[nH+]cc(C)cc2C)cc1 ZINC000647114847 1018441230 /nfs/dbraw/zinc/44/12/30/1018441230.db2.gz FJFWJTVNOAZDIH-UHFFFAOYSA-N 1 2 340.452 3.623 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582832 1032766905 /nfs/dbraw/zinc/76/69/05/1032766905.db2.gz FXIVIWGDENKVNW-NSHDSACASA-N 1 2 330.338 3.837 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(Cl)cc1 ZINC000683777084 1018506782 /nfs/dbraw/zinc/50/67/82/1018506782.db2.gz MVDLSSXZHAGOJB-INIZCTEOSA-N 1 2 333.794 3.604 20 0 EHADLO Clc1ccccc1-c1nc2c(s1)C[N@H+](Cc1cncnc1)CC2 ZINC000377884012 1018512835 /nfs/dbraw/zinc/51/28/35/1018512835.db2.gz MHZFPONSSFXIPR-UHFFFAOYSA-N 1 2 342.855 3.812 20 0 EHADLO Clc1ccccc1-c1nc2c(s1)C[N@@H+](Cc1cncnc1)CC2 ZINC000377884012 1018512849 /nfs/dbraw/zinc/51/28/49/1018512849.db2.gz MHZFPONSSFXIPR-UHFFFAOYSA-N 1 2 342.855 3.812 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000668882990 1018540143 /nfs/dbraw/zinc/54/01/43/1018540143.db2.gz VCXQOQMOMOUUTC-YUSALJHKSA-N 1 2 338.238 3.708 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000528768290 1032774886 /nfs/dbraw/zinc/77/48/86/1032774886.db2.gz JFGPQPCKZVEURV-NSHDSACASA-N 1 2 340.805 3.755 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000528768290 1032774902 /nfs/dbraw/zinc/77/49/02/1032774902.db2.gz JFGPQPCKZVEURV-NSHDSACASA-N 1 2 340.805 3.755 20 0 EHADLO Cc1nc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2o1 ZINC000340590193 1018594344 /nfs/dbraw/zinc/59/43/44/1018594344.db2.gz AZAOSULDHFRKFW-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO Cc1cncc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000340594938 1018601357 /nfs/dbraw/zinc/60/13/57/1018601357.db2.gz FWNOTBZTFDXFQT-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000683806672 1018644759 /nfs/dbraw/zinc/64/47/59/1018644759.db2.gz KSRUWMUEBFBQBS-PKOBYXMFSA-N 1 2 347.462 3.898 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)s1 ZINC000528768458 1032777220 /nfs/dbraw/zinc/77/72/20/1032777220.db2.gz NHAMYIHDAZUVRH-AWEZNQCLSA-N 1 2 335.448 3.844 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)s1 ZINC000528768458 1032777235 /nfs/dbraw/zinc/77/72/35/1032777235.db2.gz NHAMYIHDAZUVRH-AWEZNQCLSA-N 1 2 335.448 3.844 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCc2sccc2C1 ZINC000255130861 1018696763 /nfs/dbraw/zinc/69/67/63/1018696763.db2.gz CPJGNZMBQSCINJ-UTCJRWHESA-N 1 2 335.432 3.532 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000126245396 1018741220 /nfs/dbraw/zinc/74/12/20/1018741220.db2.gz TZFRRECIOWKMIM-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000126245396 1018741231 /nfs/dbraw/zinc/74/12/31/1018741231.db2.gz TZFRRECIOWKMIM-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCc1sc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000253599777 1018741520 /nfs/dbraw/zinc/74/15/20/1018741520.db2.gz UIINKVDIMKVFDM-UHFFFAOYSA-N 1 2 329.469 3.544 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2cnccc2c1 ZINC000683829645 1018742741 /nfs/dbraw/zinc/74/27/41/1018742741.db2.gz IFNMRYPXPVONHI-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2cnccc2c1 ZINC000683829645 1018742757 /nfs/dbraw/zinc/74/27/57/1018742757.db2.gz IFNMRYPXPVONHI-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000052161914 1018760688 /nfs/dbraw/zinc/76/06/88/1018760688.db2.gz HIXNLUQKRMRFPH-CQSZACIVSA-N 1 2 337.872 3.807 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000052161914 1018760700 /nfs/dbraw/zinc/76/07/00/1018760700.db2.gz HIXNLUQKRMRFPH-CQSZACIVSA-N 1 2 337.872 3.807 20 0 EHADLO CCOC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728288060 1018790674 /nfs/dbraw/zinc/79/06/74/1018790674.db2.gz XVCMPANCSKUPCE-LBPRGKRZSA-N 1 2 330.350 3.541 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000052432698 1018812763 /nfs/dbraw/zinc/81/27/63/1018812763.db2.gz DENIOPBQRBMKQR-CYBMUJFWSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000052432698 1018812780 /nfs/dbraw/zinc/81/27/80/1018812780.db2.gz DENIOPBQRBMKQR-CYBMUJFWSA-N 1 2 348.899 3.979 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000419368286 1018932711 /nfs/dbraw/zinc/93/27/11/1018932711.db2.gz WMGAOYXODIZRFJ-IUODEOHRSA-N 1 2 326.531 3.958 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000419368286 1018932715 /nfs/dbraw/zinc/93/27/15/1018932715.db2.gz WMGAOYXODIZRFJ-IUODEOHRSA-N 1 2 326.531 3.958 20 0 EHADLO Cc1nc(NCCc2noc3ccccc23)c(Br)c(C)[nH+]1 ZINC000664147686 1018938077 /nfs/dbraw/zinc/93/80/77/1018938077.db2.gz ONXSAFYZTXKNGJ-UHFFFAOYSA-N 1 2 347.216 3.652 20 0 EHADLO Cc1cc(F)c(Br)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000576402426 1018942904 /nfs/dbraw/zinc/94/29/04/1018942904.db2.gz FXHPWEJWJKCCCT-JTQLQIEISA-N 1 2 340.196 3.683 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000025424723 1018968521 /nfs/dbraw/zinc/96/85/21/1018968521.db2.gz YTGDLYWVPJIVGE-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000025424723 1018968533 /nfs/dbraw/zinc/96/85/33/1018968533.db2.gz YTGDLYWVPJIVGE-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000025424728 1018967216 /nfs/dbraw/zinc/96/72/16/1018967216.db2.gz YTGDLYWVPJIVGE-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000025424728 1018967225 /nfs/dbraw/zinc/96/72/25/1018967225.db2.gz YTGDLYWVPJIVGE-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cs1 ZINC001167927906 1019005924 /nfs/dbraw/zinc/00/59/24/1019005924.db2.gz KFNKTVBGECHLNW-GOSISDBHSA-N 1 2 338.432 3.809 20 0 EHADLO CCC[C@H](CC1CCCC1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927768429 1019008468 /nfs/dbraw/zinc/00/84/68/1019008468.db2.gz QGJIJWPRZBJDEF-OAHLLOKOSA-N 1 2 337.533 3.818 20 0 EHADLO C[C@H](NC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246498099 1019015595 /nfs/dbraw/zinc/01/55/95/1019015595.db2.gz BQMKIYWQJDEWRC-SZMVWBNQSA-N 1 2 338.455 3.765 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000255387654 1019020122 /nfs/dbraw/zinc/02/01/22/1019020122.db2.gz BZTOXNMGXRTAQG-PLNGDYQASA-N 1 2 329.831 3.722 20 0 EHADLO CN1CC[N@H+](Cc2cc(-c3cccs3)on2)Cc2ccccc21 ZINC000340651481 1019084999 /nfs/dbraw/zinc/08/49/99/1019084999.db2.gz RGSVIXVSPAIVLP-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CN1CC[N@@H+](Cc2cc(-c3cccs3)on2)Cc2ccccc21 ZINC000340651481 1019085013 /nfs/dbraw/zinc/08/50/13/1019085013.db2.gz RGSVIXVSPAIVLP-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)s1 ZINC000894187842 1019100300 /nfs/dbraw/zinc/10/03/00/1019100300.db2.gz OAXSNJIGNUIMOB-LBPRGKRZSA-N 1 2 334.441 3.634 20 0 EHADLO CO[C@H](CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)[C@H]1CCOC1 ZINC000664158570 1019106634 /nfs/dbraw/zinc/10/66/34/1019106634.db2.gz VOKQCWAYPXCZOP-SWLSCSKDSA-N 1 2 340.345 3.717 20 0 EHADLO Cc1cccc(C)c1OCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000340672149 1019146542 /nfs/dbraw/zinc/14/65/42/1019146542.db2.gz SVNNIFFSDCPWMZ-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO CC(=O)c1ccc(Oc2ccc(C(=O)NCc3[nH]c[nH+]c3C)cc2)cc1 ZINC000340676163 1019158693 /nfs/dbraw/zinc/15/86/93/1019158693.db2.gz KJHVHOLSAMYUJD-UHFFFAOYSA-N 1 2 349.390 3.643 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000449563326 1032813861 /nfs/dbraw/zinc/81/38/61/1032813861.db2.gz UIQIEUFEHCHCHW-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277275 1019289668 /nfs/dbraw/zinc/28/96/68/1019289668.db2.gz BTPXLWUQNVJZBW-KBPBESRZSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277275 1019289674 /nfs/dbraw/zinc/28/96/74/1019289674.db2.gz BTPXLWUQNVJZBW-KBPBESRZSA-N 1 2 326.396 3.724 20 0 EHADLO Cc1cnc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)nc1 ZINC000340686780 1019332200 /nfs/dbraw/zinc/33/22/00/1019332200.db2.gz ALKVLFZHNDLMTO-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000476083892 1032823523 /nfs/dbraw/zinc/82/35/23/1032823523.db2.gz JUQLZQHFGJFHCF-OALUTQOASA-N 1 2 344.499 3.982 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449572809 1032828984 /nfs/dbraw/zinc/82/89/84/1032828984.db2.gz PJTSCUXBOSYZMY-QHCPKHFHSA-N 1 2 337.529 3.845 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449572809 1032829004 /nfs/dbraw/zinc/82/90/04/1032829004.db2.gz PJTSCUXBOSYZMY-QHCPKHFHSA-N 1 2 337.529 3.845 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047931449 1019500785 /nfs/dbraw/zinc/50/07/85/1019500785.db2.gz YCJMOAXUNFAMFP-CYBMUJFWSA-N 1 2 333.391 3.909 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614480525 1019507114 /nfs/dbraw/zinc/50/71/14/1019507114.db2.gz CBMPRAGGVXNPBG-KRWDZBQOSA-N 1 2 341.499 3.896 20 0 EHADLO O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614481774 1019533684 /nfs/dbraw/zinc/53/36/84/1019533684.db2.gz WTUHEBLMBZNRAG-IRXDYDNUSA-N 1 2 341.499 3.896 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000513372667 1019592235 /nfs/dbraw/zinc/59/22/35/1019592235.db2.gz VBFCQZZYWUNXBL-HNNXBMFYSA-N 1 2 346.450 3.825 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000513372667 1019592250 /nfs/dbraw/zinc/59/22/50/1019592250.db2.gz VBFCQZZYWUNXBL-HNNXBMFYSA-N 1 2 346.450 3.825 20 0 EHADLO Cc1ccc(N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000262372614 1019606103 /nfs/dbraw/zinc/60/61/03/1019606103.db2.gz MHDOOLBCYWLXDD-GFCCVEGCSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1ccc(N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000262372614 1019606113 /nfs/dbraw/zinc/60/61/13/1019606113.db2.gz MHDOOLBCYWLXDD-GFCCVEGCSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(Br)cc2)[nH+]1 ZINC000433788192 1019618864 /nfs/dbraw/zinc/61/88/64/1019618864.db2.gz CLRIVGLOTNEHAS-SECBINFHSA-N 1 2 331.217 3.624 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000656255212 1019690945 /nfs/dbraw/zinc/69/09/45/1019690945.db2.gz LXYKLGZGAPYTCY-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000656255212 1019690953 /nfs/dbraw/zinc/69/09/53/1019690953.db2.gz LXYKLGZGAPYTCY-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(SCC(F)(F)F)cc1 ZINC000580660964 1019817763 /nfs/dbraw/zinc/81/77/63/1019817763.db2.gz YPHLINFFARNNHU-NSHDSACASA-N 1 2 327.375 3.982 20 0 EHADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(C)cc3)n2)ccc1C ZINC000433949822 1019818448 /nfs/dbraw/zinc/81/84/48/1019818448.db2.gz TXTGDSQLEPEQRU-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C)cc3)n2)ccc1C ZINC000433949822 1019818468 /nfs/dbraw/zinc/81/84/68/1019818468.db2.gz TXTGDSQLEPEQRU-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CCO1 ZINC001167429383 1019829124 /nfs/dbraw/zinc/82/91/24/1019829124.db2.gz JCFSQNCTFSJINV-LJQANCHMSA-N 1 2 347.842 3.980 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CCO1 ZINC001167429383 1019829137 /nfs/dbraw/zinc/82/91/37/1019829137.db2.gz JCFSQNCTFSJINV-LJQANCHMSA-N 1 2 347.842 3.980 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1-c1cccs1)C2 ZINC000656274883 1019876291 /nfs/dbraw/zinc/87/62/91/1019876291.db2.gz GOKFODFVIJXIKC-UHFFFAOYSA-N 1 2 325.437 3.673 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1cccs1)C2 ZINC000656274883 1019876308 /nfs/dbraw/zinc/87/63/08/1019876308.db2.gz GOKFODFVIJXIKC-UHFFFAOYSA-N 1 2 325.437 3.673 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nc(N)c3ccccc3n1)[C@H]2C ZINC000340771294 1019964575 /nfs/dbraw/zinc/96/45/75/1019964575.db2.gz CCQYZCMSYSXWKG-KGLIPLIRSA-N 1 2 348.450 3.559 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nc(N)c3ccccc3n1)[C@H]2C ZINC000340771294 1019964593 /nfs/dbraw/zinc/96/45/93/1019964593.db2.gz CCQYZCMSYSXWKG-KGLIPLIRSA-N 1 2 348.450 3.559 20 0 EHADLO CCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510343715 1019969048 /nfs/dbraw/zinc/96/90/48/1019969048.db2.gz UGJVCSBFADUSBL-ZWKOTPCHSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000345168408 1020004312 /nfs/dbraw/zinc/00/43/12/1020004312.db2.gz DXFZQNINODEEBP-QZWWFDLISA-N 1 2 330.472 3.671 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CCCC1)[NH+]1CC(C)C1 ZINC000580782698 1020014345 /nfs/dbraw/zinc/01/43/45/1020014345.db2.gz DOYUTGMTQRHKNG-CYBMUJFWSA-N 1 2 336.863 3.940 20 0 EHADLO CC[C@H](c1ccncc1)N(CC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000606823922 1032871267 /nfs/dbraw/zinc/87/12/67/1032871267.db2.gz MEJLLNIGZHJFKG-GOSISDBHSA-N 1 2 336.439 3.580 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000834649951 1020062439 /nfs/dbraw/zinc/06/24/39/1020062439.db2.gz CYYBURTVIGMDTA-PWSUYJOCSA-N 1 2 341.274 3.944 20 0 EHADLO CCC(CC)(CC)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000345237287 1020085482 /nfs/dbraw/zinc/08/54/82/1020085482.db2.gz NGUXKHPVZOWSHI-UHFFFAOYSA-N 1 2 342.487 3.947 20 0 EHADLO c1ccc(-c2cccc(CNc3ccc(N4CCOCC4)c[nH+]3)c2)nc1 ZINC000126985547 1020159051 /nfs/dbraw/zinc/15/90/51/1020159051.db2.gz UTSLYBBGODSGMK-UHFFFAOYSA-N 1 2 346.434 3.592 20 0 EHADLO Cc1csc([C@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000255855654 1020165742 /nfs/dbraw/zinc/16/57/42/1020165742.db2.gz NLSISKXVFZABDI-PODYEWJSSA-N 1 2 338.436 3.528 20 0 EHADLO O=C(Nc1cccc(F)c1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000345330438 1020176020 /nfs/dbraw/zinc/17/60/20/1020176020.db2.gz UDEIVGNNSUPKPA-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Clc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000574284767 1032881537 /nfs/dbraw/zinc/88/15/37/1032881537.db2.gz KOTXXRDHZPJRMD-HXUWFJFHSA-N 1 2 347.934 3.693 20 0 EHADLO CCCCSCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345417498 1020232011 /nfs/dbraw/zinc/23/20/11/1020232011.db2.gz AIJHDSGRDMYSFX-UHFFFAOYSA-N 1 2 349.544 3.849 20 0 EHADLO c1coc([C@H](CNCc2nc3ccccc3o2)[NH+]2CCCCC2)c1 ZINC000606933720 1032886711 /nfs/dbraw/zinc/88/67/11/1032886711.db2.gz CFCXYKUGXWGBAE-INIZCTEOSA-N 1 2 325.412 3.738 20 0 EHADLO CC[C@@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000255899097 1020255160 /nfs/dbraw/zinc/25/51/60/1020255160.db2.gz MFBWAQDFFZJDPD-NVAPOSRTSA-N 1 2 332.407 3.548 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(F)c4ccccc34)n2)C1 ZINC000280302974 1020295829 /nfs/dbraw/zinc/29/58/29/1020295829.db2.gz NRKMSFOBIGPCRH-KRWDZBQOSA-N 1 2 341.386 3.811 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(F)c4ccccc34)n2)C1 ZINC000280302974 1020295841 /nfs/dbraw/zinc/29/58/41/1020295841.db2.gz NRKMSFOBIGPCRH-KRWDZBQOSA-N 1 2 341.386 3.811 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000602447757 1032894741 /nfs/dbraw/zinc/89/47/41/1032894741.db2.gz XTNRXKOULHTIOU-MJGOQNOKSA-N 1 2 338.455 3.689 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)c1 ZINC000093734496 1032899314 /nfs/dbraw/zinc/89/93/14/1032899314.db2.gz NKPMJWLORIOWKQ-CQSZACIVSA-N 1 2 348.393 3.645 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)c1 ZINC000093734496 1032899329 /nfs/dbraw/zinc/89/93/29/1032899329.db2.gz NKPMJWLORIOWKQ-CQSZACIVSA-N 1 2 348.393 3.645 20 0 EHADLO COCc1cnc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)s1 ZINC000345708178 1020462096 /nfs/dbraw/zinc/46/20/96/1020462096.db2.gz NVNUWZUHGFKETK-CQSZACIVSA-N 1 2 338.860 3.946 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768292 1032907953 /nfs/dbraw/zinc/90/79/53/1032907953.db2.gz IHLXNJHXUXXYEG-CQSZACIVSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768292 1032907961 /nfs/dbraw/zinc/90/79/61/1032907961.db2.gz IHLXNJHXUXXYEG-CQSZACIVSA-N 1 2 331.466 3.773 20 0 EHADLO c1cn(Cc2ccccc2)c(Cc2nc([C@H]3CCCOC3)cs2)[nH+]1 ZINC000345790366 1020522950 /nfs/dbraw/zinc/52/29/50/1020522950.db2.gz TUHNUCXZLUKSSX-INIZCTEOSA-N 1 2 339.464 3.873 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481956 1032910372 /nfs/dbraw/zinc/91/03/72/1032910372.db2.gz CILMHGYTXZWQDA-MYYSRTQBSA-N 1 2 345.512 3.614 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481956 1032910389 /nfs/dbraw/zinc/91/03/89/1032910389.db2.gz CILMHGYTXZWQDA-MYYSRTQBSA-N 1 2 345.512 3.614 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(F)cc1 ZINC000072558006 1020707727 /nfs/dbraw/zinc/70/77/27/1020707727.db2.gz FEZAYZVEANYNBT-AWEZNQCLSA-N 1 2 331.313 3.800 20 0 EHADLO OC[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1c(F)cccc1F ZINC000628215711 1032923763 /nfs/dbraw/zinc/92/37/63/1032923763.db2.gz QVMACDDMZWOGFG-NSHDSACASA-N 1 2 337.313 3.868 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC001167458731 1020814468 /nfs/dbraw/zinc/81/44/68/1020814468.db2.gz WFMSNJYUUDFSRF-UHFFFAOYSA-N 1 2 341.842 3.844 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001167458731 1020814477 /nfs/dbraw/zinc/81/44/77/1020814477.db2.gz WFMSNJYUUDFSRF-UHFFFAOYSA-N 1 2 341.842 3.844 20 0 EHADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000933256585 1020830253 /nfs/dbraw/zinc/83/02/53/1020830253.db2.gz NZHWGKDVFCGMLV-FXAWDEMLSA-N 1 2 325.456 3.572 20 0 EHADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000933256585 1020830255 /nfs/dbraw/zinc/83/02/55/1020830255.db2.gz NZHWGKDVFCGMLV-FXAWDEMLSA-N 1 2 325.456 3.572 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc(Cl)c1O ZINC000656534179 1020861284 /nfs/dbraw/zinc/86/12/84/1020861284.db2.gz HWPOTGVEOJYYHJ-LLVKDONJSA-N 1 2 335.778 3.648 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc(Cl)c1O ZINC000656534179 1020861292 /nfs/dbraw/zinc/86/12/92/1020861292.db2.gz HWPOTGVEOJYYHJ-LLVKDONJSA-N 1 2 335.778 3.648 20 0 EHADLO Clc1cccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)n1 ZINC000276281141 1020980484 /nfs/dbraw/zinc/98/04/84/1020980484.db2.gz FIICAFXGHZWVTI-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO Fc1cncc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000341181883 1021053317 /nfs/dbraw/zinc/05/33/17/1021053317.db2.gz GDCMSWHKXFPCMM-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](OCc2ccccn2)C1 ZINC000276346589 1021068705 /nfs/dbraw/zinc/06/87/05/1021068705.db2.gz TVBUWPBRAZYVBG-KRWDZBQOSA-N 1 2 349.434 3.742 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000375764510 1032955170 /nfs/dbraw/zinc/95/51/70/1032955170.db2.gz QRLFDFCLMHLFHF-CQSZACIVSA-N 1 2 336.423 3.765 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000375764510 1032955177 /nfs/dbraw/zinc/95/51/77/1032955177.db2.gz QRLFDFCLMHLFHF-CQSZACIVSA-N 1 2 336.423 3.765 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCCCS2)c(C)c1 ZINC000341231832 1021138271 /nfs/dbraw/zinc/13/82/71/1021138271.db2.gz WIWLXLSEIUKILA-QZTJIDSGSA-N 1 2 343.496 3.643 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000656681681 1021163883 /nfs/dbraw/zinc/16/38/83/1021163883.db2.gz JSYGKFJKBRXWCO-IHRRRGAJSA-N 1 2 331.485 3.622 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341247178 1021178277 /nfs/dbraw/zinc/17/82/77/1021178277.db2.gz OKOTYDXVEKCCHO-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@@H](C)C[C@H]3c3ccco3)nc(N)c2c1C ZINC000246739782 1021196105 /nfs/dbraw/zinc/19/61/05/1021196105.db2.gz PCVUQMDQABCCAZ-RISCZKNCSA-N 1 2 340.427 3.988 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@@H](C)C[C@H]3c3ccco3)nc(N)c2c1C ZINC000246739782 1021196113 /nfs/dbraw/zinc/19/61/13/1021196113.db2.gz PCVUQMDQABCCAZ-RISCZKNCSA-N 1 2 340.427 3.988 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997170 1021201202 /nfs/dbraw/zinc/20/12/02/1021201202.db2.gz DEEGGKHRQPHTHT-CYBMUJFWSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1c[nH+]c(CNc2ccc3c(c2)N(CC(F)F)CCS3)n1C ZINC000341261113 1021223959 /nfs/dbraw/zinc/22/39/59/1021223959.db2.gz ANBUOFGNFOZXDQ-UHFFFAOYSA-N 1 2 338.427 3.518 20 0 EHADLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1O ZINC000436808989 1021252816 /nfs/dbraw/zinc/25/28/16/1021252816.db2.gz QWAHFRIEVVPKFZ-HNNXBMFYSA-N 1 2 348.830 3.596 20 0 EHADLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000518509451 1021258748 /nfs/dbraw/zinc/25/87/48/1021258748.db2.gz SZDJCYVAHJVFQH-INIZCTEOSA-N 1 2 343.471 3.545 20 0 EHADLO CCc1cccnc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000507440333 1021266906 /nfs/dbraw/zinc/26/69/06/1021266906.db2.gz IASSLKSNRPKDAC-OAGGEKHMSA-N 1 2 340.471 3.826 20 0 EHADLO CC(C)NC(=O)[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000664588263 1021279359 /nfs/dbraw/zinc/27/93/59/1021279359.db2.gz VUBFFEWQXDYWHU-GFCCVEGCSA-N 1 2 349.837 3.768 20 0 EHADLO COCc1csc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000656769797 1021309880 /nfs/dbraw/zinc/30/98/80/1021309880.db2.gz ZBPQZGNOROWRGC-OKILXGFUSA-N 1 2 347.484 3.515 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2c(F)cc(Br)cc2F)CC[C@@]1(C)O ZINC001141554706 1021317495 /nfs/dbraw/zinc/31/74/95/1021317495.db2.gz HJFSOELOSHGWLN-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2c(F)cc(Br)cc2F)CC[C@@]1(C)O ZINC001141554706 1021317510 /nfs/dbraw/zinc/31/75/10/1021317510.db2.gz HJFSOELOSHGWLN-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)on1 ZINC000602555147 1032971613 /nfs/dbraw/zinc/97/16/13/1032971613.db2.gz CRHDOJAYFPAYNI-QMMMGPOBSA-N 1 2 329.183 3.619 20 0 EHADLO COc1ccsc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000505902634 1021380201 /nfs/dbraw/zinc/38/02/01/1021380201.db2.gz HYDYYPPSURXFOY-YVMONPNESA-N 1 2 328.481 3.588 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507597505 1021386907 /nfs/dbraw/zinc/38/69/07/1021386907.db2.gz NHEHYYDKCRESBD-BBWFWOEESA-N 1 2 346.519 3.933 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507664302 1021435124 /nfs/dbraw/zinc/43/51/24/1021435124.db2.gz FQDGLDCZGWJCQR-FQEVSTJZSA-N 1 2 333.435 3.520 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507664302 1021435129 /nfs/dbraw/zinc/43/51/29/1021435129.db2.gz FQDGLDCZGWJCQR-FQEVSTJZSA-N 1 2 333.435 3.520 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@H+](C)CCCSC ZINC000439469843 1021462170 /nfs/dbraw/zinc/46/21/70/1021462170.db2.gz OAHDZUBHOIPIJC-CYBMUJFWSA-N 1 2 335.391 3.604 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@@H+](C)CCCSC ZINC000439469843 1021462184 /nfs/dbraw/zinc/46/21/84/1021462184.db2.gz OAHDZUBHOIPIJC-CYBMUJFWSA-N 1 2 335.391 3.604 20 0 EHADLO CNC(=O)c1ccc(CN(C)c2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000341336317 1021464261 /nfs/dbraw/zinc/46/42/61/1021464261.db2.gz BMLYPHUSQXTTHO-UHFFFAOYSA-N 1 2 339.826 3.884 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1F ZINC000579009618 1021490634 /nfs/dbraw/zinc/49/06/34/1021490634.db2.gz CJXKJLMFSLGGOC-PXAZEXFGSA-N 1 2 349.837 3.752 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(NC(=O)N3CCCCCC3)cc2)n1C ZINC000341348469 1021493345 /nfs/dbraw/zinc/49/33/45/1021493345.db2.gz KKMQVXWLSQEZLT-UHFFFAOYSA-N 1 2 341.459 3.749 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccccc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000425692777 1021495783 /nfs/dbraw/zinc/49/57/83/1021495783.db2.gz OJRQMZFXNVHVEJ-SWLSCSKDSA-N 1 2 334.370 3.936 20 0 EHADLO FC(F)Oc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1Cl ZINC000288501252 1021508144 /nfs/dbraw/zinc/50/81/44/1021508144.db2.gz RYNOJWARIBYHPN-UHFFFAOYSA-N 1 2 349.715 3.959 20 0 EHADLO FC1(F)CC[C@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051975 1032986736 /nfs/dbraw/zinc/98/67/36/1032986736.db2.gz RZPXCJLHPPGTSB-GFCCVEGCSA-N 1 2 330.338 3.900 20 0 EHADLO Cc1onc(C2CC2)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000516537741 1021536962 /nfs/dbraw/zinc/53/69/62/1021536962.db2.gz ALGCCMIAMLDYKT-UHFFFAOYSA-N 1 2 346.456 3.555 20 0 EHADLO CCC[N@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccc(C)cc1 ZINC000516562548 1021548391 /nfs/dbraw/zinc/54/83/91/1021548391.db2.gz WVZSDHWUARYTOU-UHFFFAOYSA-N 1 2 349.482 4.000 20 0 EHADLO CCC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccc(C)cc1 ZINC000516562548 1021548411 /nfs/dbraw/zinc/54/84/11/1021548411.db2.gz WVZSDHWUARYTOU-UHFFFAOYSA-N 1 2 349.482 4.000 20 0 EHADLO CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000516574316 1021559777 /nfs/dbraw/zinc/55/97/77/1021559777.db2.gz MZIIHVRNGZARSO-LMMKCTJWSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)n1cc[nH+]c1 ZINC000581729455 1021633739 /nfs/dbraw/zinc/63/37/39/1021633739.db2.gz YGXQAYUXMWDDNO-HZMBPMFUSA-N 1 2 338.238 3.945 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C2CC2)O1 ZINC000684411164 1021664710 /nfs/dbraw/zinc/66/47/10/1021664710.db2.gz CEJGQTYGHCEJEU-AUUYWEPGSA-N 1 2 345.874 3.584 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C2CC2)O1 ZINC000684411164 1021664715 /nfs/dbraw/zinc/66/47/15/1021664715.db2.gz CEJGQTYGHCEJEU-AUUYWEPGSA-N 1 2 345.874 3.584 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)cc1 ZINC000519846619 1021723515 /nfs/dbraw/zinc/72/35/15/1021723515.db2.gz DCARZVABNYKAKQ-FQEVSTJZSA-N 1 2 327.399 3.940 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)cc1 ZINC000519846619 1021723531 /nfs/dbraw/zinc/72/35/31/1021723531.db2.gz DCARZVABNYKAKQ-FQEVSTJZSA-N 1 2 327.399 3.940 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000469458363 1021725741 /nfs/dbraw/zinc/72/57/41/1021725741.db2.gz DJUBVZHOERYHAH-CYBMUJFWSA-N 1 2 335.398 3.926 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000469458363 1021725757 /nfs/dbraw/zinc/72/57/57/1021725757.db2.gz DJUBVZHOERYHAH-CYBMUJFWSA-N 1 2 335.398 3.926 20 0 EHADLO O=C(Cn1cc[nH+]c1)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000519854329 1021728018 /nfs/dbraw/zinc/72/80/18/1021728018.db2.gz ZLCHEJAMKBQSGC-UHFFFAOYSA-N 1 2 343.789 3.659 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000519002278 1021751357 /nfs/dbraw/zinc/75/13/57/1021751357.db2.gz ZPLKTEDSQSKTCQ-IHRRRGAJSA-N 1 2 344.405 3.982 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC000516808439 1021756871 /nfs/dbraw/zinc/75/68/71/1021756871.db2.gz MKPSYFBDLSCZLE-HNNXBMFYSA-N 1 2 335.513 3.742 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC000516808439 1021756884 /nfs/dbraw/zinc/75/68/84/1021756884.db2.gz MKPSYFBDLSCZLE-HNNXBMFYSA-N 1 2 335.513 3.742 20 0 EHADLO Cc1csc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000449666039 1033002538 /nfs/dbraw/zinc/00/25/38/1033002538.db2.gz GLTQARHNCSVXKZ-CQSZACIVSA-N 1 2 331.268 3.756 20 0 EHADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCC(C)CC2)c1 ZINC000925061653 1021777972 /nfs/dbraw/zinc/77/79/72/1021777972.db2.gz KIWZQZVURTUXLN-MFOWVQHXSA-N 1 2 330.432 3.581 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC(C)C)c(C)c1 ZINC000440789377 1021782406 /nfs/dbraw/zinc/78/24/06/1021782406.db2.gz GXPHSLBMIIWNQX-IBGZPJMESA-N 1 2 342.487 3.977 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(Br)cn1 ZINC000684423742 1021793975 /nfs/dbraw/zinc/79/39/75/1021793975.db2.gz DLERGLRNSHMOTI-LLVKDONJSA-N 1 2 345.244 3.582 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000519941081 1021801314 /nfs/dbraw/zinc/80/13/14/1021801314.db2.gz VCDAQMBWZRQFJI-PIKOESSRSA-N 1 2 344.499 3.628 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000519941081 1021801325 /nfs/dbraw/zinc/80/13/25/1021801325.db2.gz VCDAQMBWZRQFJI-PIKOESSRSA-N 1 2 344.499 3.628 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000440906226 1021859564 /nfs/dbraw/zinc/85/95/64/1021859564.db2.gz SQKUDRMWPIWYES-JFIYKMOQSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000440906226 1021859583 /nfs/dbraw/zinc/85/95/83/1021859583.db2.gz SQKUDRMWPIWYES-JFIYKMOQSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000440886649 1021861807 /nfs/dbraw/zinc/86/18/07/1021861807.db2.gz KHJWELPGGSEERH-UONOGXRCSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000440886649 1021861823 /nfs/dbraw/zinc/86/18/23/1021861823.db2.gz KHJWELPGGSEERH-UONOGXRCSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@]1(F)CCC[N@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140458624 1021885409 /nfs/dbraw/zinc/88/54/09/1021885409.db2.gz UHUQSQOKMLKFNK-AWEZNQCLSA-N 1 2 326.213 3.649 20 0 EHADLO C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140458624 1021885429 /nfs/dbraw/zinc/88/54/29/1021885429.db2.gz UHUQSQOKMLKFNK-AWEZNQCLSA-N 1 2 326.213 3.649 20 0 EHADLO Fc1cccc(OCc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000188141511 1021899710 /nfs/dbraw/zinc/89/97/10/1021899710.db2.gz JXIUNNGPVYHMIV-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)[nH]1 ZINC000519267920 1021965197 /nfs/dbraw/zinc/96/51/97/1021965197.db2.gz OFZGAHSHTMVIPW-AVGNSLFASA-N 1 2 344.459 3.501 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437581054 1021975252 /nfs/dbraw/zinc/97/52/52/1021975252.db2.gz RNKCRUWHZGPXBC-UHFFFAOYSA-N 1 2 336.785 3.705 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437581054 1021975264 /nfs/dbraw/zinc/97/52/64/1021975264.db2.gz RNKCRUWHZGPXBC-UHFFFAOYSA-N 1 2 336.785 3.705 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1nccn1C ZINC000593724798 1033020326 /nfs/dbraw/zinc/02/03/26/1033020326.db2.gz ZWIBMWPJUVGSTP-JQFCIGGWSA-N 1 2 341.455 3.641 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000437617982 1021985066 /nfs/dbraw/zinc/98/50/66/1021985066.db2.gz XLRRRTGHUDPVMZ-AWEZNQCLSA-N 1 2 333.863 3.700 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCOC1 ZINC000437619397 1022006376 /nfs/dbraw/zinc/00/63/76/1022006376.db2.gz IAFANAJRGXHTEA-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCOC1 ZINC000437619397 1022006388 /nfs/dbraw/zinc/00/63/88/1022006388.db2.gz IAFANAJRGXHTEA-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425851054 1022028660 /nfs/dbraw/zinc/02/86/60/1022028660.db2.gz ANWZEGVXSYMVLZ-ZWKOTPCHSA-N 1 2 346.519 3.836 20 0 EHADLO Cc1cc(N2CCC(OCCc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341479845 1022032565 /nfs/dbraw/zinc/03/25/65/1022032565.db2.gz GJJWSBGNNJJBSY-UHFFFAOYSA-N 1 2 337.467 3.891 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccccc3Cl)C2)nc(C2CC2)[nH+]1 ZINC000341496367 1022037172 /nfs/dbraw/zinc/03/71/72/1022037172.db2.gz KSELQUZJWUEQJB-MRXNPFEDSA-N 1 2 329.831 3.894 20 0 EHADLO Cc1cc(NCCCCOCCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341498785 1022038967 /nfs/dbraw/zinc/03/89/67/1022038967.db2.gz LZCKASHOONCWBW-UHFFFAOYSA-N 1 2 325.456 3.536 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000581881726 1022041200 /nfs/dbraw/zinc/04/12/00/1022041200.db2.gz FWZQESPWASYWQW-LJQANCHMSA-N 1 2 347.466 3.863 20 0 EHADLO Cc1cnc(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000581881726 1022041217 /nfs/dbraw/zinc/04/12/17/1022041217.db2.gz FWZQESPWASYWQW-LJQANCHMSA-N 1 2 347.466 3.863 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cs1 ZINC000341506406 1022044188 /nfs/dbraw/zinc/04/41/88/1022044188.db2.gz MKTSHGRRWFEFFM-KRWDZBQOSA-N 1 2 345.512 3.795 20 0 EHADLO Brc1cnc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000341512774 1022051252 /nfs/dbraw/zinc/05/12/52/1022051252.db2.gz QCONAZBTQYUVMI-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1ccccc1 ZINC000299446928 1022056556 /nfs/dbraw/zinc/05/65/56/1022056556.db2.gz UYVOVZZBUWDIHI-CQSZACIVSA-N 1 2 327.384 3.539 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1ccccc1 ZINC000299446928 1022056569 /nfs/dbraw/zinc/05/65/69/1022056569.db2.gz UYVOVZZBUWDIHI-CQSZACIVSA-N 1 2 327.384 3.539 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000517146612 1022070234 /nfs/dbraw/zinc/07/02/34/1022070234.db2.gz DNGLVXSOAMIGTO-IRXDYDNUSA-N 1 2 332.492 3.788 20 0 EHADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000519421025 1022080894 /nfs/dbraw/zinc/08/08/94/1022080894.db2.gz YGWXUQKMTNHYJM-GFCCVEGCSA-N 1 2 347.311 3.792 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc(Cl)c1OC ZINC000579232699 1022125716 /nfs/dbraw/zinc/12/57/16/1022125716.db2.gz XBMUAPCHBIKMLJ-LBPRGKRZSA-N 1 2 325.836 3.501 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc(Cl)c1OC ZINC000579232699 1022125723 /nfs/dbraw/zinc/12/57/23/1022125723.db2.gz XBMUAPCHBIKMLJ-LBPRGKRZSA-N 1 2 325.836 3.501 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000471779199 1022144762 /nfs/dbraw/zinc/14/47/62/1022144762.db2.gz HPJSCUNFGZVQDA-UHFFFAOYSA-N 1 2 333.457 3.602 20 0 EHADLO O=C(CC1=CCCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000520349172 1022165461 /nfs/dbraw/zinc/16/54/61/1022165461.db2.gz VEBNMDYHBRBRDO-INIZCTEOSA-N 1 2 348.437 3.936 20 0 EHADLO O=C(CC1=CCCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000520349172 1022165462 /nfs/dbraw/zinc/16/54/62/1022165462.db2.gz VEBNMDYHBRBRDO-INIZCTEOSA-N 1 2 348.437 3.936 20 0 EHADLO Fc1cc(Cl)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000187480472 1022175810 /nfs/dbraw/zinc/17/58/10/1022175810.db2.gz ULLPIQBDDQKSEM-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO COc1cc(Oc2ccccc2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000437827388 1022182188 /nfs/dbraw/zinc/18/21/88/1022182188.db2.gz GGWUXTJJCGNLSB-UHFFFAOYSA-N 1 2 337.379 3.713 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(C4CC4)oc3C3CC3)sc2C1 ZINC000891639322 1022188077 /nfs/dbraw/zinc/18/80/77/1022188077.db2.gz QGGASEZOPGARDZ-UHFFFAOYSA-N 1 2 343.452 3.731 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc(C4CC4)oc3C3CC3)sc2C1 ZINC000891639322 1022188093 /nfs/dbraw/zinc/18/80/93/1022188093.db2.gz QGGASEZOPGARDZ-UHFFFAOYSA-N 1 2 343.452 3.731 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591666 1022224591 /nfs/dbraw/zinc/22/45/91/1022224591.db2.gz IGUYCKQXQNZSQV-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591666 1022224597 /nfs/dbraw/zinc/22/45/97/1022224597.db2.gz IGUYCKQXQNZSQV-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Cl)cc1Cl ZINC000187710977 1022224944 /nfs/dbraw/zinc/22/49/44/1022224944.db2.gz CWECOWLTPDKRIA-AWEZNQCLSA-N 1 2 327.211 3.926 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cn2nccc2-c2ccncc2)[C@H](C)CO1 ZINC000172950002 1033042748 /nfs/dbraw/zinc/04/27/48/1033042748.db2.gz XPNVFDPWFOSHQH-DYESRHJHSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cn2nccc2-c2ccncc2)[C@H](C)CO1 ZINC000172950002 1033042761 /nfs/dbraw/zinc/04/27/61/1033042761.db2.gz XPNVFDPWFOSHQH-DYESRHJHSA-N 1 2 348.450 3.673 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1c(F)cncc1F ZINC000894435319 1022281932 /nfs/dbraw/zinc/28/19/32/1022281932.db2.gz NCERHKJQNFXWFR-ZETCQYMHSA-N 1 2 337.317 3.772 20 0 EHADLO CC[C@H]1C[C@H](C)CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000073328359 1022286649 /nfs/dbraw/zinc/28/66/49/1022286649.db2.gz ZFTQYRYIKZFWJT-HOCLYGCPSA-N 1 2 331.485 3.523 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)Nc1ccncc1 ZINC000112559369 1022289101 /nfs/dbraw/zinc/28/91/01/1022289101.db2.gz VONMSANQSWGONM-LJQANCHMSA-N 1 2 334.423 3.729 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)Nc1ccncc1 ZINC000112559369 1022289105 /nfs/dbraw/zinc/28/91/05/1022289105.db2.gz VONMSANQSWGONM-LJQANCHMSA-N 1 2 334.423 3.729 20 0 EHADLO CCCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000122966951 1022323692 /nfs/dbraw/zinc/32/36/92/1022323692.db2.gz ATGZANOHVQSUKW-UHFFFAOYSA-N 1 2 329.532 3.505 20 0 EHADLO Cc1cnccc1/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125544529 1022378116 /nfs/dbraw/zinc/37/81/16/1022378116.db2.gz LNEKJUHNHWPOMB-DJWKRKHSSA-N 1 2 338.798 3.881 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)on1 ZINC000602673923 1033052881 /nfs/dbraw/zinc/05/28/81/1033052881.db2.gz DLQHQQJCCKXWAR-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)on1 ZINC000602673923 1033052890 /nfs/dbraw/zinc/05/28/90/1033052890.db2.gz DLQHQQJCCKXWAR-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000684476260 1022395726 /nfs/dbraw/zinc/39/57/26/1022395726.db2.gz OXVWSPZEGBQRDX-QWGSZXSUSA-N 1 2 329.469 3.888 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000684476260 1022395739 /nfs/dbraw/zinc/39/57/39/1022395739.db2.gz OXVWSPZEGBQRDX-QWGSZXSUSA-N 1 2 329.469 3.888 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)c(Br)c1 ZINC000449694932 1033053921 /nfs/dbraw/zinc/05/39/21/1033053921.db2.gz CXMLZPOLKQUIQN-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO Fc1cccc2[nH]c(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)cc21 ZINC000438116304 1022403922 /nfs/dbraw/zinc/40/39/22/1022403922.db2.gz JELJOIDLEZZBIE-NRFANRHFSA-N 1 2 336.410 3.981 20 0 EHADLO Fc1cccc2[nH]c(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)cc21 ZINC000438116304 1022403931 /nfs/dbraw/zinc/40/39/31/1022403931.db2.gz JELJOIDLEZZBIE-NRFANRHFSA-N 1 2 336.410 3.981 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000438126548 1022406519 /nfs/dbraw/zinc/40/65/19/1022406519.db2.gz YYFVJNPZZCHCSV-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000438126548 1022406525 /nfs/dbraw/zinc/40/65/25/1022406525.db2.gz YYFVJNPZZCHCSV-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3c(Cl)cnn3C)CC2)CC1 ZINC000438120921 1022418332 /nfs/dbraw/zinc/41/83/32/1022418332.db2.gz NWWXTYQHQRXUTN-UHFFFAOYSA-N 1 2 325.884 3.633 20 0 EHADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000517556433 1022441508 /nfs/dbraw/zinc/44/15/08/1022441508.db2.gz OGKYTJSTVYGGAW-DZGCQCFKSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000517556433 1022441515 /nfs/dbraw/zinc/44/15/15/1022441515.db2.gz OGKYTJSTVYGGAW-DZGCQCFKSA-N 1 2 334.529 3.675 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000473973488 1022443369 /nfs/dbraw/zinc/44/33/69/1022443369.db2.gz DGWCNXCOXQOLNF-ZDUSSCGKSA-N 1 2 331.485 3.861 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000472325345 1033052199 /nfs/dbraw/zinc/05/21/99/1033052199.db2.gz HZLNBRYOVHZUNJ-BDJLRTHQSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000472325345 1033052220 /nfs/dbraw/zinc/05/22/20/1033052220.db2.gz HZLNBRYOVHZUNJ-BDJLRTHQSA-N 1 2 333.432 3.612 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)n1 ZINC000328703629 1022472562 /nfs/dbraw/zinc/47/25/62/1022472562.db2.gz OHOPXIBJDIQIBY-PXAZEXFGSA-N 1 2 340.427 3.790 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827318 1022503256 /nfs/dbraw/zinc/50/32/56/1022503256.db2.gz JAGHCQUCNKGULF-APWZRJJASA-N 1 2 337.467 3.512 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827318 1022503265 /nfs/dbraw/zinc/50/32/65/1022503265.db2.gz JAGHCQUCNKGULF-APWZRJJASA-N 1 2 337.467 3.512 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828460 1022506011 /nfs/dbraw/zinc/50/60/11/1022506011.db2.gz HWIAVVQZZIOYFW-QAPCUYQASA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828460 1022506022 /nfs/dbraw/zinc/50/60/22/1022506022.db2.gz HWIAVVQZZIOYFW-QAPCUYQASA-N 1 2 329.488 3.644 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664827860 1022510797 /nfs/dbraw/zinc/51/07/97/1022510797.db2.gz DGLCULQRWBYHDS-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664827860 1022510805 /nfs/dbraw/zinc/51/08/05/1022510805.db2.gz DGLCULQRWBYHDS-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2ccccc2)C2CC2)c1C ZINC000051334085 1022545761 /nfs/dbraw/zinc/54/57/61/1022545761.db2.gz OARRRLJIHSTGMY-GOSISDBHSA-N 1 2 339.439 3.658 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2c2ccccc2)c1C ZINC000051333868 1022546851 /nfs/dbraw/zinc/54/68/51/1022546851.db2.gz GKOYLJIIYQRUPU-SFHVURJKSA-N 1 2 339.439 3.754 20 0 EHADLO CC(C)(C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425977005 1022552678 /nfs/dbraw/zinc/55/26/78/1022552678.db2.gz IUQLIARFOJTSMD-QZTJIDSGSA-N 1 2 340.471 3.847 20 0 EHADLO CSC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000894567590 1022566969 /nfs/dbraw/zinc/56/69/69/1022566969.db2.gz VZDWYRPRMIMVPI-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cc4c(Cl)cnn4C)CC3)oc21 ZINC000438338142 1022576517 /nfs/dbraw/zinc/57/65/17/1022576517.db2.gz OIXQOCKNIFFPSE-UHFFFAOYSA-N 1 2 344.846 3.903 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000330427603 1022584754 /nfs/dbraw/zinc/58/47/54/1022584754.db2.gz HKPBOUNTFSFRTK-UHFFFAOYSA-N 1 2 343.471 3.830 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C)[C@H](C)O1 ZINC000438366445 1022595965 /nfs/dbraw/zinc/59/59/65/1022595965.db2.gz WEUMIMZEJOYQTO-UTUOFQBUSA-N 1 2 335.341 3.765 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C)[C@H](C)O1 ZINC000438366445 1022595974 /nfs/dbraw/zinc/59/59/74/1022595974.db2.gz WEUMIMZEJOYQTO-UTUOFQBUSA-N 1 2 335.341 3.765 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OC ZINC000438356729 1022604093 /nfs/dbraw/zinc/60/40/93/1022604093.db2.gz LITOTBJTLYFXPQ-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OC ZINC000438356729 1022604104 /nfs/dbraw/zinc/60/41/04/1022604104.db2.gz LITOTBJTLYFXPQ-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000664834814 1022622214 /nfs/dbraw/zinc/62/22/14/1022622214.db2.gz VRPGXWVSYUMYED-MOPGFXCFSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000664834814 1022622219 /nfs/dbraw/zinc/62/22/19/1022622219.db2.gz VRPGXWVSYUMYED-MOPGFXCFSA-N 1 2 335.451 3.660 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)C(C)C)cn2c1 ZINC000438392263 1022632806 /nfs/dbraw/zinc/63/28/06/1022632806.db2.gz MSZAEROXXCOMDW-UHFFFAOYSA-N 1 2 333.501 3.674 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CCCS3)n2)O1 ZINC000665004917 1022644902 /nfs/dbraw/zinc/64/49/02/1022644902.db2.gz JATQJLWBJLTJIK-BMFZPTHFSA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CCCS3)n2)O1 ZINC000665004917 1022644907 /nfs/dbraw/zinc/64/49/07/1022644907.db2.gz JATQJLWBJLTJIK-BMFZPTHFSA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C[C@@H]3C=CCC3)n2)O1 ZINC000665005972 1022656094 /nfs/dbraw/zinc/65/60/94/1022656094.db2.gz UZDDBCCWHCWBFH-JFIYKMOQSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C[C@@H]3C=CCC3)n2)O1 ZINC000665005972 1022656102 /nfs/dbraw/zinc/65/61/02/1022656102.db2.gz UZDDBCCWHCWBFH-JFIYKMOQSA-N 1 2 339.439 3.540 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000517796538 1022677303 /nfs/dbraw/zinc/67/73/03/1022677303.db2.gz OFMFQKABPVYJAV-QGZVFWFLSA-N 1 2 343.471 3.679 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3CCCC3)n2)O1 ZINC000665008942 1022685485 /nfs/dbraw/zinc/68/54/85/1022685485.db2.gz ZLDVVAGDHFIECJ-PBHICJAKSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3CCCC3)n2)O1 ZINC000665008942 1022685493 /nfs/dbraw/zinc/68/54/93/1022685493.db2.gz ZLDVVAGDHFIECJ-PBHICJAKSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665010510 1022709438 /nfs/dbraw/zinc/70/94/38/1022709438.db2.gz XOGVVTKUCWPEGU-KEYYUXOJSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665010510 1022709448 /nfs/dbraw/zinc/70/94/48/1022709448.db2.gz XOGVVTKUCWPEGU-KEYYUXOJSA-N 1 2 327.428 3.545 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CC[S@@](=O)c2ccccc2)[C@@H](C)CO1 ZINC000441438532 1022754667 /nfs/dbraw/zinc/75/46/67/1022754667.db2.gz RUBYJTPHKWAFPQ-GERBCZOESA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)[C@@H](C)CO1 ZINC000441438532 1022754678 /nfs/dbraw/zinc/75/46/78/1022754678.db2.gz RUBYJTPHKWAFPQ-GERBCZOESA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000510631694 1022797271 /nfs/dbraw/zinc/79/72/71/1022797271.db2.gz UGDZBULRZJDTTE-UHFFFAOYSA-N 1 2 341.436 3.811 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000510631694 1022797285 /nfs/dbraw/zinc/79/72/85/1022797285.db2.gz UGDZBULRZJDTTE-UHFFFAOYSA-N 1 2 341.436 3.811 20 0 EHADLO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(-c2ccccc2)n1 ZINC000894757733 1022856698 /nfs/dbraw/zinc/85/66/98/1022856698.db2.gz SRVGOIPCKOVZEP-KRWDZBQOSA-N 1 2 337.427 3.599 20 0 EHADLO CCn1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c(-c2ccccc2)n1 ZINC000894757733 1022856716 /nfs/dbraw/zinc/85/67/16/1022856716.db2.gz SRVGOIPCKOVZEP-KRWDZBQOSA-N 1 2 337.427 3.599 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cccc2[nH+]ccn21 ZINC000188754169 1022889187 /nfs/dbraw/zinc/88/91/87/1022889187.db2.gz IXOJZZCFMQYCEP-KBXCAEBGSA-N 1 2 341.842 3.950 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C)[nH]1 ZINC000430929832 1022890117 /nfs/dbraw/zinc/89/01/17/1022890117.db2.gz WOFGZTUQSFCVBB-LJQANCHMSA-N 1 2 340.467 3.538 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C)[nH]1 ZINC000430929832 1022890127 /nfs/dbraw/zinc/89/01/27/1022890127.db2.gz WOFGZTUQSFCVBB-LJQANCHMSA-N 1 2 340.467 3.538 20 0 EHADLO COc1ccc([C@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699161 1022908370 /nfs/dbraw/zinc/90/83/70/1022908370.db2.gz VEAJZIZNQUGNMR-IFXJQAMLSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc([C@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699161 1022908383 /nfs/dbraw/zinc/90/83/83/1022908383.db2.gz VEAJZIZNQUGNMR-IFXJQAMLSA-N 1 2 326.440 3.541 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(C)s1 ZINC000657092418 1022918129 /nfs/dbraw/zinc/91/81/29/1022918129.db2.gz JHKWHXAWWXHPIV-MIUALZABSA-N 1 2 338.498 3.745 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)o1 ZINC000343264560 1022953620 /nfs/dbraw/zinc/95/36/20/1022953620.db2.gz WGNKGUDYQRFWJG-ZDUSSCGKSA-N 1 2 325.412 3.987 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)o1 ZINC000343264560 1022953625 /nfs/dbraw/zinc/95/36/25/1022953625.db2.gz WGNKGUDYQRFWJG-ZDUSSCGKSA-N 1 2 325.412 3.987 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681160 1022988251 /nfs/dbraw/zinc/98/82/51/1022988251.db2.gz VKCMVFFLEWAMSD-GOSISDBHSA-N 1 2 328.843 3.528 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681160 1022988266 /nfs/dbraw/zinc/98/82/66/1022988266.db2.gz VKCMVFFLEWAMSD-GOSISDBHSA-N 1 2 328.843 3.528 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)CCO1 ZINC000506358216 1022996683 /nfs/dbraw/zinc/99/66/83/1022996683.db2.gz VNGPXXZJXUHYLB-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)CCO1 ZINC000506358216 1022996702 /nfs/dbraw/zinc/99/67/02/1022996702.db2.gz VNGPXXZJXUHYLB-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(Cl)cc3F)n2)cc1 ZINC000189319397 1023017697 /nfs/dbraw/zinc/01/76/97/1023017697.db2.gz VMLXKOQJFIVTFH-UHFFFAOYSA-N 1 2 345.805 3.963 20 0 EHADLO CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000426163046 1023023395 /nfs/dbraw/zinc/02/33/95/1023023395.db2.gz UMNHDMISEIQWHP-HNNXBMFYSA-N 1 2 338.854 3.922 20 0 EHADLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548417005 1023039030 /nfs/dbraw/zinc/03/90/30/1023039030.db2.gz FOTJAXKAAQRVMS-UONOGXRCSA-N 1 2 345.830 3.513 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000430974610 1023049000 /nfs/dbraw/zinc/04/90/00/1023049000.db2.gz BMIIOPMLGXNGOS-BEFAXECRSA-N 1 2 338.455 3.523 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3scnc3C)n2)cc1 ZINC000276816385 1023050702 /nfs/dbraw/zinc/05/07/02/1023050702.db2.gz YUCMXUAXWFQUDT-LBPRGKRZSA-N 1 2 328.441 3.915 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000128897212 1023057242 /nfs/dbraw/zinc/05/72/42/1023057242.db2.gz FFQKMUXBKYZKLN-BBRMVZONSA-N 1 2 346.406 3.536 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C(C)=C\c1ccccc1COC ZINC000506978352 1023058127 /nfs/dbraw/zinc/05/81/27/1023058127.db2.gz HFGGKNMIFKHKSB-AGWAZZAUSA-N 1 2 331.456 3.654 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1C/C(C)=C\c1ccccc1COC ZINC000506978352 1023058139 /nfs/dbraw/zinc/05/81/39/1023058139.db2.gz HFGGKNMIFKHKSB-AGWAZZAUSA-N 1 2 331.456 3.654 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875728 1023064675 /nfs/dbraw/zinc/06/46/75/1023064675.db2.gz FBBMBPYCCCGWKW-NVXWUHKLSA-N 1 2 326.444 3.907 20 0 EHADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000520470593 1023068614 /nfs/dbraw/zinc/06/86/14/1023068614.db2.gz BUFMQXRNFRGAGK-LRDDRELGSA-N 1 2 337.345 3.512 20 0 EHADLO CCCCCOc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OC ZINC000294738090 1023090363 /nfs/dbraw/zinc/09/03/63/1023090363.db2.gz GXGWZEHXMVFGGY-UHFFFAOYSA-N 1 2 346.475 3.796 20 0 EHADLO CCCCOc1ccc(NC(=O)NCCNc2cccc[nH+]2)c(C)c1 ZINC000518182954 1023110364 /nfs/dbraw/zinc/11/03/64/1023110364.db2.gz FNYZPCTZAMQNNH-UHFFFAOYSA-N 1 2 342.443 3.803 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000607361946 1033105955 /nfs/dbraw/zinc/10/59/55/1033105955.db2.gz IBIXWWWYWNAHLW-UHFFFAOYSA-N 1 2 348.450 3.720 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075831913 1023119618 /nfs/dbraw/zinc/11/96/18/1023119618.db2.gz ROFAUZSYLVZBDN-HNNXBMFYSA-N 1 2 327.428 3.833 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831913 1023119622 /nfs/dbraw/zinc/11/96/22/1023119622.db2.gz ROFAUZSYLVZBDN-HNNXBMFYSA-N 1 2 327.428 3.833 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1C ZINC000441482924 1023145552 /nfs/dbraw/zinc/14/55/52/1023145552.db2.gz AZKOIXSCKWQWLC-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1C ZINC000441482924 1023145561 /nfs/dbraw/zinc/14/55/61/1023145561.db2.gz AZKOIXSCKWQWLC-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccn2cc[nH+]c2c1 ZINC000439027846 1023217391 /nfs/dbraw/zinc/21/73/91/1023217391.db2.gz LYDQWWASISMWDQ-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCc2ccoc2)c(C)c1 ZINC000441494417 1023258292 /nfs/dbraw/zinc/25/82/92/1023258292.db2.gz ZQCKASHKNOVJMJ-LJQANCHMSA-N 1 2 337.423 3.583 20 0 EHADLO Cc1nc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)[nH]c1C ZINC000665089814 1023285039 /nfs/dbraw/zinc/28/50/39/1023285039.db2.gz MQRWAOSCMUGLPC-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1nc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)[nH]c1C ZINC000665089814 1023285048 /nfs/dbraw/zinc/28/50/48/1023285048.db2.gz MQRWAOSCMUGLPC-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000510852629 1023290432 /nfs/dbraw/zinc/29/04/32/1023290432.db2.gz PVDDGJCCHHGSGA-SFHVURJKSA-N 1 2 333.435 3.932 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1scnc1C1CC1 ZINC000563018607 1023311383 /nfs/dbraw/zinc/31/13/83/1023311383.db2.gz CWFFXCKQHBZUNE-AWEZNQCLSA-N 1 2 338.436 3.904 20 0 EHADLO COCCCn1nccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000449734231 1033130077 /nfs/dbraw/zinc/13/00/77/1033130077.db2.gz RNBADYNFJOPOOB-SFHVURJKSA-N 1 2 335.398 3.535 20 0 EHADLO COCCCn1nccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000449734231 1033130085 /nfs/dbraw/zinc/13/00/85/1033130085.db2.gz RNBADYNFJOPOOB-SFHVURJKSA-N 1 2 335.398 3.535 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccc(Br)cn2)c1C ZINC000176571236 1023428318 /nfs/dbraw/zinc/42/83/18/1023428318.db2.gz YYZHKTZUEIPQEI-UHFFFAOYSA-N 1 2 336.233 3.501 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143417236 1023597150 /nfs/dbraw/zinc/59/71/50/1023597150.db2.gz CDVVVCUXPYRMIC-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143417236 1023597157 /nfs/dbraw/zinc/59/71/57/1023597157.db2.gz CDVVVCUXPYRMIC-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO Cc1cc(NC(=O)c2ncoc2-c2ccccc2Cl)c(C)c[nH+]1 ZINC000535748063 1023604569 /nfs/dbraw/zinc/60/45/69/1023604569.db2.gz PRHCOXHMNPXDLG-UHFFFAOYSA-N 1 2 327.771 3.681 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000375645805 1023608333 /nfs/dbraw/zinc/60/83/33/1023608333.db2.gz WPUFPPCXFSECIN-DLBZAZTESA-N 1 2 333.391 3.833 20 0 EHADLO Cc1cc(NC(=O)N2CCC(Cc3ccccc3F)CC2)c(C)c[nH+]1 ZINC000535773407 1023622867 /nfs/dbraw/zinc/62/28/67/1023622867.db2.gz JODGGGDQPGHSOT-UHFFFAOYSA-N 1 2 341.430 3.746 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c(C)c[nH+]1 ZINC000535772752 1023623038 /nfs/dbraw/zinc/62/30/38/1023623038.db2.gz RICKULOOLDERMV-LBPRGKRZSA-N 1 2 332.473 3.757 20 0 EHADLO Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)c(C)c[nH+]1 ZINC000535772907 1023623253 /nfs/dbraw/zinc/62/32/53/1023623253.db2.gz YMERWPWGVAGDMG-UHFFFAOYSA-N 1 2 327.403 3.850 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000535774703 1023624261 /nfs/dbraw/zinc/62/42/61/1023624261.db2.gz DUKOVEQMOZHDAX-UHFFFAOYSA-N 1 2 347.422 3.883 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000535774703 1023624264 /nfs/dbraw/zinc/62/42/64/1023624264.db2.gz DUKOVEQMOZHDAX-UHFFFAOYSA-N 1 2 347.422 3.883 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535774212 1023625509 /nfs/dbraw/zinc/62/55/09/1023625509.db2.gz VAAATTKUQSTCNS-SFHVURJKSA-N 1 2 325.456 3.914 20 0 EHADLO Clc1ccccc1CN1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000535782435 1023630555 /nfs/dbraw/zinc/63/05/55/1023630555.db2.gz XZRCOMQKAYOJMF-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004670 1023646547 /nfs/dbraw/zinc/64/65/47/1023646547.db2.gz UEYIVGNVGYCVMB-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004670 1023646549 /nfs/dbraw/zinc/64/65/49/1023646549.db2.gz UEYIVGNVGYCVMB-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000934045201 1023688862 /nfs/dbraw/zinc/68/88/62/1023688862.db2.gz ALFURLYLNDFAAP-MRXNPFEDSA-N 1 2 342.443 3.929 20 0 EHADLO FC(F)(F)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000341980266 1023731150 /nfs/dbraw/zinc/73/11/50/1023731150.db2.gz CNXODCABSYFHMI-UHFFFAOYSA-N 1 2 325.334 3.901 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncccc2C(F)(F)F)c(C)[nH+]1 ZINC000431556847 1033165173 /nfs/dbraw/zinc/16/51/73/1033165173.db2.gz CTYXMPIPKWUXOK-JOCHJYFZSA-N 1 2 328.359 3.561 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000684616784 1023850506 /nfs/dbraw/zinc/85/05/06/1023850506.db2.gz KVPIEADEJQEHST-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000684616784 1023850513 /nfs/dbraw/zinc/85/05/13/1023850513.db2.gz KVPIEADEJQEHST-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](C)CCCc2nccn2CCC)n1 ZINC000277164234 1023889674 /nfs/dbraw/zinc/88/96/74/1023889674.db2.gz KIWMUCPBTVEUAH-OAHLLOKOSA-N 1 2 333.480 3.644 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](C)CCCc2nccn2CCC)n1 ZINC000277164234 1023889687 /nfs/dbraw/zinc/88/96/87/1023889687.db2.gz KIWMUCPBTVEUAH-OAHLLOKOSA-N 1 2 333.480 3.644 20 0 EHADLO Nc1ccc(Nc2cc(Br)ccc2OC(F)(F)F)c[nH+]1 ZINC000399473914 1023894974 /nfs/dbraw/zinc/89/49/74/1023894974.db2.gz QZTYMTMOKLDXBM-UHFFFAOYSA-N 1 2 348.122 3.899 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535885566 1023941210 /nfs/dbraw/zinc/94/12/10/1023941210.db2.gz MFQBTJDYRBYIDQ-WMZOPIPTSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535885566 1023941218 /nfs/dbraw/zinc/94/12/18/1023941218.db2.gz MFQBTJDYRBYIDQ-WMZOPIPTSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535885564 1023941299 /nfs/dbraw/zinc/94/12/99/1023941299.db2.gz MFQBTJDYRBYIDQ-SJLPKXTDSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535885564 1023941305 /nfs/dbraw/zinc/94/13/05/1023941305.db2.gz MFQBTJDYRBYIDQ-SJLPKXTDSA-N 1 2 338.854 3.921 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000513918182 1023955167 /nfs/dbraw/zinc/95/51/67/1023955167.db2.gz GUAKHXGBDXEXAU-QGZVFWFLSA-N 1 2 348.450 3.780 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(F)c1F ZINC000046469135 1033175820 /nfs/dbraw/zinc/17/58/20/1033175820.db2.gz PQMMZZFXDURRFJ-GFCCVEGCSA-N 1 2 340.349 3.537 20 0 EHADLO CCCCSCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000150898564 1023979959 /nfs/dbraw/zinc/97/99/59/1023979959.db2.gz VWEVJUCPWKKYSO-UHFFFAOYSA-N 1 2 335.448 3.551 20 0 EHADLO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000192288497 1023979619 /nfs/dbraw/zinc/97/96/19/1023979619.db2.gz HCOWENBBFNXXNH-UHFFFAOYSA-N 1 2 325.368 3.550 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513997999 1024042535 /nfs/dbraw/zinc/04/25/35/1024042535.db2.gz XZZRITRRDHIHDI-KXBFYZLASA-N 1 2 342.870 3.925 20 0 EHADLO CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC(F)F ZINC000514006567 1024048923 /nfs/dbraw/zinc/04/89/23/1024048923.db2.gz MOINFRFCOCOVSP-UHFFFAOYSA-N 1 2 349.219 3.755 20 0 EHADLO CCC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC(F)F ZINC000514006567 1024048931 /nfs/dbraw/zinc/04/89/31/1024048931.db2.gz MOINFRFCOCOVSP-UHFFFAOYSA-N 1 2 349.219 3.755 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000522534460 1024060195 /nfs/dbraw/zinc/06/01/95/1024060195.db2.gz KGUXHXWYKUBARO-MRXNPFEDSA-N 1 2 334.467 3.878 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000522534460 1024060210 /nfs/dbraw/zinc/06/02/10/1024060210.db2.gz KGUXHXWYKUBARO-MRXNPFEDSA-N 1 2 334.467 3.878 20 0 EHADLO CCCc1ccc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000151327593 1024100585 /nfs/dbraw/zinc/10/05/85/1024100585.db2.gz RKAUMPQOMOALBF-AZUAARDMSA-N 1 2 339.483 3.912 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000346030581 1024102860 /nfs/dbraw/zinc/10/28/60/1024102860.db2.gz LFYMADGVRKGQGE-NRFANRHFSA-N 1 2 345.402 3.994 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]1C1CCCC1)C2 ZINC000475028269 1024104205 /nfs/dbraw/zinc/10/42/05/1024104205.db2.gz ABGAOGNWJXNMPP-CRAIPNDOSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1C1CCCC1)CC2 ZINC000475028269 1024104211 /nfs/dbraw/zinc/10/42/11/1024104211.db2.gz ABGAOGNWJXNMPP-CRAIPNDOSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)CN(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000443546307 1024128332 /nfs/dbraw/zinc/12/83/32/1024128332.db2.gz BRRPCZRBKZVPQK-UHFFFAOYSA-N 1 2 349.906 3.528 20 0 EHADLO CC(C)CN(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000443546307 1024128341 /nfs/dbraw/zinc/12/83/41/1024128341.db2.gz BRRPCZRBKZVPQK-UHFFFAOYSA-N 1 2 349.906 3.528 20 0 EHADLO O=C1OCCCN1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000896869377 1024169050 /nfs/dbraw/zinc/16/90/50/1024169050.db2.gz ZYXFGXGRTZBKAX-UHFFFAOYSA-N 1 2 345.830 3.699 20 0 EHADLO Cc1cc(N[C@H](CC(=O)N(C)C)c2ccccc2)nc(C2CCC2)[nH+]1 ZINC000891988718 1024212913 /nfs/dbraw/zinc/21/29/13/1024212913.db2.gz WMGNNCTXRIMMAT-QGZVFWFLSA-N 1 2 338.455 3.684 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342146924 1024240847 /nfs/dbraw/zinc/24/08/47/1024240847.db2.gz CTGGXDNZWORKOA-GOSISDBHSA-N 1 2 342.414 3.647 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)[nH]n1 ZINC000738431710 1024276427 /nfs/dbraw/zinc/27/64/27/1024276427.db2.gz VSOFBEYAYLQDCE-UHFFFAOYSA-N 1 2 343.862 3.772 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000840082900 1024276676 /nfs/dbraw/zinc/27/66/76/1024276676.db2.gz IMUUEFIYYFZBMS-LBPRGKRZSA-N 1 2 326.227 3.535 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000840082900 1024276692 /nfs/dbraw/zinc/27/66/92/1024276692.db2.gz IMUUEFIYYFZBMS-LBPRGKRZSA-N 1 2 326.227 3.535 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277237529 1024285636 /nfs/dbraw/zinc/28/56/36/1024285636.db2.gz LLMNHPKVBTVJCW-VIFPVBQESA-N 1 2 342.201 3.875 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CCSC(C)(C)CC2)no1 ZINC000434695824 1024302826 /nfs/dbraw/zinc/30/28/26/1024302826.db2.gz VATTUCIBFIWEFA-UHFFFAOYSA-N 1 2 331.485 3.686 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CCSC(C)(C)CC2)no1 ZINC000434695824 1024302840 /nfs/dbraw/zinc/30/28/40/1024302840.db2.gz VATTUCIBFIWEFA-UHFFFAOYSA-N 1 2 331.485 3.686 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(C)cc1Cl ZINC000505475457 1024310179 /nfs/dbraw/zinc/31/01/79/1024310179.db2.gz BXTUTKNXXUEMLG-SFHVURJKSA-N 1 2 346.833 3.883 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425148549 1024312243 /nfs/dbraw/zinc/31/22/43/1024312243.db2.gz UIUXIDSYPIVUNB-BPQIPLTHSA-N 1 2 325.456 3.969 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149644 1024336811 /nfs/dbraw/zinc/33/68/11/1024336811.db2.gz WWHNVXXJFXRNKK-YLJYHZDGSA-N 1 2 347.462 3.988 20 0 EHADLO Clc1nc2ccccc2c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895347375 1024337176 /nfs/dbraw/zinc/33/71/76/1024337176.db2.gz WIVKBLGWMJTZTJ-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2NCCC3)C[C@@H](CC(F)(F)F)O1 ZINC000895353069 1024368012 /nfs/dbraw/zinc/36/80/12/1024368012.db2.gz PYKIVEMRPXZUET-IUODEOHRSA-N 1 2 328.378 3.586 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2NCCC3)C[C@@H](CC(F)(F)F)O1 ZINC000895353069 1024368024 /nfs/dbraw/zinc/36/80/24/1024368024.db2.gz PYKIVEMRPXZUET-IUODEOHRSA-N 1 2 328.378 3.586 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000346091324 1024392183 /nfs/dbraw/zinc/39/21/83/1024392183.db2.gz XUNOVFJADRYSRO-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000346091324 1024392197 /nfs/dbraw/zinc/39/21/97/1024392197.db2.gz XUNOVFJADRYSRO-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO Brc1cc(CNc2cc3c4c(c2)CCC[NH+]4CCC3)on1 ZINC001167503338 1024412185 /nfs/dbraw/zinc/41/21/85/1024412185.db2.gz RWMCGHZFHYPWEH-UHFFFAOYSA-N 1 2 348.244 3.748 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505530953 1024439380 /nfs/dbraw/zinc/43/93/80/1024439380.db2.gz WVYJGCXCOHLBJE-LVXZVAJSSA-N 1 2 342.389 3.541 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000840165529 1024440515 /nfs/dbraw/zinc/44/05/15/1024440515.db2.gz CZVVISGWJBTNBS-CYBMUJFWSA-N 1 2 336.480 3.829 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000840165529 1024440525 /nfs/dbraw/zinc/44/05/25/1024440525.db2.gz CZVVISGWJBTNBS-CYBMUJFWSA-N 1 2 336.480 3.829 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000614656547 1024460164 /nfs/dbraw/zinc/46/01/64/1024460164.db2.gz CRNWOJIVYJUQOX-QZTJIDSGSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC001167505070 1024474309 /nfs/dbraw/zinc/47/43/09/1024474309.db2.gz QFWVCWTXLDIBOW-PBHICJAKSA-N 1 2 337.872 3.683 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC001167505070 1024474313 /nfs/dbraw/zinc/47/43/13/1024474313.db2.gz QFWVCWTXLDIBOW-PBHICJAKSA-N 1 2 337.872 3.683 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)s1 ZINC000505559710 1024483852 /nfs/dbraw/zinc/48/38/52/1024483852.db2.gz XEMVPLNKIDMJID-HNNXBMFYSA-N 1 2 346.471 3.971 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](c2ncccc2C)C(C)(C)C)cc(C)[nH+]1 ZINC000895411957 1024484478 /nfs/dbraw/zinc/48/44/78/1024484478.db2.gz QPNMFECCKJIYDD-SFHVURJKSA-N 1 2 340.471 3.988 20 0 EHADLO CCCc1csc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000425240743 1024505787 /nfs/dbraw/zinc/50/57/87/1024505787.db2.gz ZFPWUAUKNIRKFY-HNNXBMFYSA-N 1 2 340.452 3.979 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)s1 ZINC000277298409 1024506163 /nfs/dbraw/zinc/50/61/63/1024506163.db2.gz DJULSXAGBCIDOM-UHFFFAOYSA-N 1 2 343.500 3.635 20 0 EHADLO Cc1ccc2[nH+]c(CSc3n[nH]c(Cc4cccs4)n3)cn2c1 ZINC000514496934 1024510753 /nfs/dbraw/zinc/51/07/53/1024510753.db2.gz WKLZMAKYKYWYSF-UHFFFAOYSA-N 1 2 341.465 3.705 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]4CCC[C@@H]43)n2)C1 ZINC000426065384 1024510872 /nfs/dbraw/zinc/51/08/72/1024510872.db2.gz AYEXBHXFBSQLDN-YCPHGPKFSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]4CCC[C@@H]43)n2)C1 ZINC000426065384 1024510876 /nfs/dbraw/zinc/51/08/76/1024510876.db2.gz AYEXBHXFBSQLDN-YCPHGPKFSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H](N(Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000459159170 1024516791 /nfs/dbraw/zinc/51/67/91/1024516791.db2.gz ZVLDSEYIIPCQOK-MRXNPFEDSA-N 1 2 342.487 3.609 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514526598 1024529095 /nfs/dbraw/zinc/52/90/95/1024529095.db2.gz OJFSDQXWJLNOCW-CYBMUJFWSA-N 1 2 346.393 3.568 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514526598 1024529101 /nfs/dbraw/zinc/52/91/01/1024529101.db2.gz OJFSDQXWJLNOCW-CYBMUJFWSA-N 1 2 346.393 3.568 20 0 EHADLO C[NH+](C)Cc1csc(CNc2nnc(-c3cccc(Cl)c3)o2)n1 ZINC000895479737 1024552660 /nfs/dbraw/zinc/55/26/60/1024552660.db2.gz USRPVLUCMUMDPB-UHFFFAOYSA-N 1 2 349.847 3.520 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000282447957 1024559233 /nfs/dbraw/zinc/55/92/33/1024559233.db2.gz VJIHYSKIMLSDCE-AEFFLSMTSA-N 1 2 337.467 3.729 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281029937 1024573646 /nfs/dbraw/zinc/57/36/46/1024573646.db2.gz PDPPKRFGCIPIAQ-CQSZACIVSA-N 1 2 326.425 3.937 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)c1ccccc1)C2 ZINC000474202292 1024574563 /nfs/dbraw/zinc/57/45/63/1024574563.db2.gz SQNVYPSHKWSBQK-ZBFHGGJFSA-N 1 2 325.456 3.558 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)c1ccccc1)CC2 ZINC000474202292 1024574571 /nfs/dbraw/zinc/57/45/71/1024574571.db2.gz SQNVYPSHKWSBQK-ZBFHGGJFSA-N 1 2 325.456 3.558 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000897879436 1033220954 /nfs/dbraw/zinc/22/09/54/1033220954.db2.gz HBUVOBFJLXKNRC-MSOLQXFVSA-N 1 2 325.456 3.627 20 0 EHADLO c1cn(CCOc2ccccc2NCc2nc3c(s2)CCC3)c[nH+]1 ZINC000093108615 1024589862 /nfs/dbraw/zinc/58/98/62/1024589862.db2.gz ZOPFSKAQVOEPBG-UHFFFAOYSA-N 1 2 340.452 3.519 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2s1 ZINC000151775907 1024594953 /nfs/dbraw/zinc/59/49/53/1024594953.db2.gz XXXWKLDQOOWQQO-GFCCVEGCSA-N 1 2 340.452 3.817 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3CCc4sccc4C3=O)cc2[nH+]1 ZINC000895554002 1024606271 /nfs/dbraw/zinc/60/62/71/1024606271.db2.gz POIVKFLYHFSSKH-NSHDSACASA-N 1 2 339.420 3.707 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665198399 1024621559 /nfs/dbraw/zinc/62/15/59/1024621559.db2.gz UWQPWMUVSUKYDA-CYBMUJFWSA-N 1 2 342.830 3.804 20 0 EHADLO c1cn(Cc2ccc(-c3cccc(CO[C@@H]4CCOC4)c3)cc2)c[nH+]1 ZINC000665211776 1024650939 /nfs/dbraw/zinc/65/09/39/1024650939.db2.gz FURBOIOKNCHYKQ-OAQYLSRUSA-N 1 2 334.419 3.904 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2c(F)c(F)cc(F)c2F)c(C)[nH+]1 ZINC000653181007 1024654671 /nfs/dbraw/zinc/65/46/71/1024654671.db2.gz REWQEUVVDHJCAK-UHFFFAOYSA-N 1 2 341.308 3.885 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(F)c1Cl ZINC000343347141 1024663808 /nfs/dbraw/zinc/66/38/08/1024663808.db2.gz UJXFMAMRDWCMOL-UHFFFAOYSA-N 1 2 344.777 3.680 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000281148212 1024676243 /nfs/dbraw/zinc/67/62/43/1024676243.db2.gz ZYMUBOOUOLLLMI-MOPGFXCFSA-N 1 2 345.483 3.551 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2ccc(Cl)c3cccnc23)n1 ZINC000342275252 1024688897 /nfs/dbraw/zinc/68/88/97/1024688897.db2.gz WTXPCUBNVFSJDE-UHFFFAOYSA-N 1 2 334.757 3.906 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)n1 ZINC000342275931 1024691115 /nfs/dbraw/zinc/69/11/15/1024691115.db2.gz YMKLPJPOQDDDCI-UHFFFAOYSA-N 1 2 333.260 3.603 20 0 EHADLO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346408416 1024698446 /nfs/dbraw/zinc/69/84/46/1024698446.db2.gz HDQMBBRYJYDQNY-HKUYNNGSSA-N 1 2 349.409 3.875 20 0 EHADLO CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000425301477 1024700333 /nfs/dbraw/zinc/70/03/33/1024700333.db2.gz MDFJTZMFXJYIBN-IAGOWNOFSA-N 1 2 325.456 3.969 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000505640682 1024728127 /nfs/dbraw/zinc/72/81/27/1024728127.db2.gz SEJOZCHAWVSBIU-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000505640682 1024728139 /nfs/dbraw/zinc/72/81/39/1024728139.db2.gz SEJOZCHAWVSBIU-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO c1cc(C2CCC2)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000685349154 1033232484 /nfs/dbraw/zinc/23/24/84/1033232484.db2.gz JTEGJVNVODLBLZ-QZTJIDSGSA-N 1 2 339.439 3.930 20 0 EHADLO c1cc(C2CCC2)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000685349154 1033232502 /nfs/dbraw/zinc/23/25/02/1033232502.db2.gz JTEGJVNVODLBLZ-QZTJIDSGSA-N 1 2 339.439 3.930 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000425317749 1024742957 /nfs/dbraw/zinc/74/29/57/1024742957.db2.gz RZDVHXFYWDWYSQ-QWFCFKBJSA-N 1 2 335.451 3.579 20 0 EHADLO CC(C)n1cncc1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000425324239 1024751087 /nfs/dbraw/zinc/75/10/87/1024751087.db2.gz KBYJMLMVXRCFEN-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000425315507 1024751242 /nfs/dbraw/zinc/75/12/42/1024751242.db2.gz OOYYTKCBCDXRNM-GBESFXJTSA-N 1 2 337.467 3.874 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000346423293 1024751792 /nfs/dbraw/zinc/75/17/92/1024751792.db2.gz BFTKYDHCMKLLKZ-UHFFFAOYSA-N 1 2 346.390 3.631 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCCCC1)c1cccc(F)c1 ZINC000507910651 1024759902 /nfs/dbraw/zinc/75/99/02/1024759902.db2.gz XHLBERPMNWBXJW-LJQANCHMSA-N 1 2 345.462 3.978 20 0 EHADLO CC(C)n1c[nH+]cc1CN(C)Cc1cc(Br)ccc1F ZINC000425328491 1024773647 /nfs/dbraw/zinc/77/36/47/1024773647.db2.gz ROKIZSQEKFSNNI-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c(F)c1 ZINC000425336418 1024779894 /nfs/dbraw/zinc/77/98/94/1024779894.db2.gz KXFGCPFMVRCJFA-UHFFFAOYSA-N 1 2 333.382 3.913 20 0 EHADLO Cc1ccsc1CN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074169887 1024787717 /nfs/dbraw/zinc/78/77/17/1024787717.db2.gz VMGZRLCRQAPQOL-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(F)c1 ZINC000425332490 1024791838 /nfs/dbraw/zinc/79/18/38/1024791838.db2.gz ZGKGEHTYGYVYHN-UHFFFAOYSA-N 1 2 344.405 3.668 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC23CCCC3)C[C@@H](C)O1 ZINC000474350101 1024794315 /nfs/dbraw/zinc/79/43/15/1024794315.db2.gz AWJKELMOAJFDKP-JFIYKMOQSA-N 1 2 342.483 3.815 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCCO1 ZINC000346490921 1024801502 /nfs/dbraw/zinc/80/15/02/1024801502.db2.gz KTZHGOBNEXSLDV-IUODEOHRSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000346490921 1024801515 /nfs/dbraw/zinc/80/15/15/1024801515.db2.gz KTZHGOBNEXSLDV-IUODEOHRSA-N 1 2 346.254 3.708 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000346496381 1024806009 /nfs/dbraw/zinc/80/60/09/1024806009.db2.gz UNYUUWUACVXMBV-KRWDZBQOSA-N 1 2 349.862 3.522 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCOc1cccc(Cl)c1 ZINC000346496381 1024806028 /nfs/dbraw/zinc/80/60/28/1024806028.db2.gz UNYUUWUACVXMBV-KRWDZBQOSA-N 1 2 349.862 3.522 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000427823455 1024809166 /nfs/dbraw/zinc/80/91/66/1024809166.db2.gz UBZIUMCARRBBTR-HXUWFJFHSA-N 1 2 338.426 3.813 20 0 EHADLO CCOC(=O)CN(Cc1c[nH+]cn1C(C)C)[C@@H](C)c1ccccc1 ZINC000425352229 1024821503 /nfs/dbraw/zinc/82/15/03/1024821503.db2.gz MPJYWLMJFZVKGS-INIZCTEOSA-N 1 2 329.444 3.590 20 0 EHADLO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594177044 1033237003 /nfs/dbraw/zinc/23/70/03/1033237003.db2.gz MJNLSOWVZTWLGJ-RTWAWAEBSA-N 1 2 344.414 3.628 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427861443 1024848347 /nfs/dbraw/zinc/84/83/47/1024848347.db2.gz CZIGBUBYYMWCOT-IAGOWNOFSA-N 1 2 339.426 3.884 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958821 1024859820 /nfs/dbraw/zinc/85/98/20/1024859820.db2.gz KVLJQUBNIBBFRM-RBUKOAKNSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958821 1024859834 /nfs/dbraw/zinc/85/98/34/1024859834.db2.gz KVLJQUBNIBBFRM-RBUKOAKNSA-N 1 2 342.487 3.683 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000346543491 1024880438 /nfs/dbraw/zinc/88/04/38/1024880438.db2.gz FXKMFNNQKHVTFQ-UONOGXRCSA-N 1 2 328.464 3.548 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C=C/C=C(Cl)Cl)n1 ZINC000895843055 1024889228 /nfs/dbraw/zinc/88/92/28/1024889228.db2.gz JAQAWVYRWUMFCG-FNORWQNLSA-N 1 2 334.272 3.799 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1OC(F)F ZINC000657307629 1024902822 /nfs/dbraw/zinc/90/28/22/1024902822.db2.gz RMZOQFZTEQNFOR-HNNXBMFYSA-N 1 2 336.386 3.845 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761052442 1033245925 /nfs/dbraw/zinc/24/59/25/1033245925.db2.gz OIDXMHFDAGNOLG-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761052442 1033245938 /nfs/dbraw/zinc/24/59/38/1033245938.db2.gz OIDXMHFDAGNOLG-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000514950307 1024926663 /nfs/dbraw/zinc/92/66/63/1024926663.db2.gz NIQPUAIPJBFDLZ-FUHWJXTLSA-N 1 2 333.435 3.736 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000508140745 1024926887 /nfs/dbraw/zinc/92/68/87/1024926887.db2.gz BHFNQKOLKKMHKN-UHFFFAOYSA-N 1 2 346.519 3.810 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000427990325 1024926955 /nfs/dbraw/zinc/92/69/55/1024926955.db2.gz IFUVUOLRHIRRIX-LBPRGKRZSA-N 1 2 341.798 3.541 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153826 1024937584 /nfs/dbraw/zinc/93/75/84/1024937584.db2.gz FLAPVCFVVSSQPG-KBPBESRZSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153826 1024937591 /nfs/dbraw/zinc/93/75/91/1024937591.db2.gz FLAPVCFVVSSQPG-KBPBESRZSA-N 1 2 345.512 3.712 20 0 EHADLO CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000346606956 1024946874 /nfs/dbraw/zinc/94/68/74/1024946874.db2.gz KAYSLOIHZYLMQF-MDZRGWNJSA-N 1 2 337.467 3.631 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000346627049 1024966110 /nfs/dbraw/zinc/96/61/10/1024966110.db2.gz DXEDDINRVYQOSG-HNNXBMFYSA-N 1 2 331.410 3.547 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc(C2CC2)[nH+]1 ZINC000346633782 1024974185 /nfs/dbraw/zinc/97/41/85/1024974185.db2.gz LMINOLKOJZCEQZ-INIZCTEOSA-N 1 2 337.423 3.775 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653867 1024987807 /nfs/dbraw/zinc/98/78/07/1024987807.db2.gz QQWZICBOURGZTA-RTBURBONSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653867 1024987811 /nfs/dbraw/zinc/98/78/11/1024987811.db2.gz QQWZICBOURGZTA-RTBURBONSA-N 1 2 344.405 3.807 20 0 EHADLO CC(=O)c1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000515086897 1025005976 /nfs/dbraw/zinc/00/59/76/1025005976.db2.gz IVBXIAXRNFSOIP-UHFFFAOYSA-N 1 2 341.798 3.680 20 0 EHADLO CC(C)Sc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548647723 1025017588 /nfs/dbraw/zinc/01/75/88/1025017588.db2.gz NSDDVBRWPIDJEC-ZDUSSCGKSA-N 1 2 330.457 3.520 20 0 EHADLO CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000157669272 1025026720 /nfs/dbraw/zinc/02/67/20/1025026720.db2.gz JXVAYYUXNZFWOR-SFHVURJKSA-N 1 2 341.430 3.631 20 0 EHADLO C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccc(O)c1 ZINC000342363742 1025059264 /nfs/dbraw/zinc/05/92/64/1025059264.db2.gz SZXUTZPWRWGSSQ-RDTXWAMCSA-N 1 2 335.407 3.515 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000515177752 1025073641 /nfs/dbraw/zinc/07/36/41/1025073641.db2.gz NEQNHCTZEDDOBU-WBAXXEDZSA-N 1 2 341.430 3.864 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000346782304 1025092904 /nfs/dbraw/zinc/09/29/04/1025092904.db2.gz GVQKZFDKHKXYRS-UHFFFAOYSA-N 1 2 349.434 3.519 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000515231713 1025098883 /nfs/dbraw/zinc/09/88/83/1025098883.db2.gz GSIMIRKBFNROCR-SUMWQHHRSA-N 1 2 340.423 3.749 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000515231713 1025098893 /nfs/dbraw/zinc/09/88/93/1025098893.db2.gz GSIMIRKBFNROCR-SUMWQHHRSA-N 1 2 340.423 3.749 20 0 EHADLO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1cc[nH+]c1 ZINC000346773290 1025109530 /nfs/dbraw/zinc/10/95/30/1025109530.db2.gz HVBXVWCPHDUHIQ-UHFFFAOYSA-N 1 2 339.361 3.729 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582065185 1025141727 /nfs/dbraw/zinc/14/17/27/1025141727.db2.gz CRUOVTQEOBKKNX-QFBILLFUSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1c(Br)cncc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000657322248 1025148658 /nfs/dbraw/zinc/14/86/58/1025148658.db2.gz SPOURTJGBIGDGT-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+]Cc3cnc(C(F)(F)F)s3)nc21 ZINC000443983697 1025154253 /nfs/dbraw/zinc/15/42/53/1025154253.db2.gz FVIQJHHGFMVQCZ-UHFFFAOYSA-N 1 2 326.347 3.636 20 0 EHADLO C[C@H](CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000515303910 1025162701 /nfs/dbraw/zinc/16/27/01/1025162701.db2.gz MRKVLLGBDZDLTH-CQSZACIVSA-N 1 2 329.419 3.600 20 0 EHADLO Cc1ncsc1/C=C/c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000515330901 1025167803 /nfs/dbraw/zinc/16/78/03/1025167803.db2.gz SSVGJAOYGBTLCZ-AATRIKPKSA-N 1 2 337.408 3.552 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000342393481 1025177093 /nfs/dbraw/zinc/17/70/93/1025177093.db2.gz JZBAPWYFOQMAJL-OAHLLOKOSA-N 1 2 344.405 3.792 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000515355204 1025191625 /nfs/dbraw/zinc/19/16/25/1025191625.db2.gz RNBXPKBNAVFGNV-LLVKDONJSA-N 1 2 340.254 3.944 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000515355204 1025191627 /nfs/dbraw/zinc/19/16/27/1025191627.db2.gz RNBXPKBNAVFGNV-LLVKDONJSA-N 1 2 340.254 3.944 20 0 EHADLO COC(=O)c1cnc(Nc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)nc1 ZINC000515392254 1025203050 /nfs/dbraw/zinc/20/30/50/1025203050.db2.gz NQRSAWHGFYWUEE-AWEZNQCLSA-N 1 2 340.427 3.694 20 0 EHADLO COC(=O)c1cnc(Nc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)nc1 ZINC000515392254 1025203053 /nfs/dbraw/zinc/20/30/53/1025203053.db2.gz NQRSAWHGFYWUEE-AWEZNQCLSA-N 1 2 340.427 3.694 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000157914454 1025206098 /nfs/dbraw/zinc/20/60/98/1025206098.db2.gz XSVCGRRZEQAHRV-GFCCVEGCSA-N 1 2 342.491 3.601 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000444045467 1025207287 /nfs/dbraw/zinc/20/72/87/1025207287.db2.gz LGHKPKMMZWUBNE-HZSPNIEDSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000444045467 1025207290 /nfs/dbraw/zinc/20/72/90/1025207290.db2.gz LGHKPKMMZWUBNE-HZSPNIEDSA-N 1 2 336.505 3.685 20 0 EHADLO CCN(CC(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442231050 1025212325 /nfs/dbraw/zinc/21/23/25/1025212325.db2.gz TZUFGNQMYDTHNT-IBGZPJMESA-N 1 2 342.487 3.929 20 0 EHADLO CCCCC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000152116932 1025215076 /nfs/dbraw/zinc/21/50/76/1025215076.db2.gz KPEHUYGSLJISSR-MJGOQNOKSA-N 1 2 325.456 3.883 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000281565735 1025219390 /nfs/dbraw/zinc/21/93/90/1025219390.db2.gz KCEPQQAHNHKCCX-LIRRHRJNSA-N 1 2 331.435 3.874 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000281565735 1025219394 /nfs/dbraw/zinc/21/93/94/1025219394.db2.gz KCEPQQAHNHKCCX-LIRRHRJNSA-N 1 2 331.435 3.874 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncsc1C(F)(F)F ZINC000435929785 1025224647 /nfs/dbraw/zinc/22/46/47/1025224647.db2.gz UMEFPSYMWSMLJR-UHFFFAOYSA-N 1 2 338.314 3.804 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000053238122 1025228088 /nfs/dbraw/zinc/22/80/88/1025228088.db2.gz SLBVIMAWHWOBFX-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000053238122 1025228101 /nfs/dbraw/zinc/22/81/01/1025228101.db2.gz SLBVIMAWHWOBFX-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO CCCCN1CCc2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3)cc21 ZINC000574523400 1033268593 /nfs/dbraw/zinc/26/85/93/1033268593.db2.gz OWFZTPQDIVENQZ-HNNXBMFYSA-N 1 2 326.444 3.636 20 0 EHADLO Fc1c(C[NH2+]Cc2ccn(-c3ccccc3)n2)cccc1OC1CC1 ZINC000657334087 1025249424 /nfs/dbraw/zinc/24/94/24/1025249424.db2.gz LPYQQMPUQZKRAY-UHFFFAOYSA-N 1 2 337.398 3.842 20 0 EHADLO OC[C@]1([NH2+]Cc2ccc(Cl)cc2Cl)CCOc2ccccc21 ZINC000281595073 1025251967 /nfs/dbraw/zinc/25/19/67/1025251967.db2.gz FHRFRMUTWDDZTD-QGZVFWFLSA-N 1 2 338.234 3.753 20 0 EHADLO CN1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)[C@H](c2ccccc2)C1 ZINC000425427069 1025259021 /nfs/dbraw/zinc/25/90/21/1025259021.db2.gz XNSHWJRVRDWXOE-QFIPXVFZSA-N 1 2 344.462 3.632 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)[C@H](c2ccccc2)C1 ZINC000425427069 1025259025 /nfs/dbraw/zinc/25/90/25/1025259025.db2.gz XNSHWJRVRDWXOE-QFIPXVFZSA-N 1 2 344.462 3.632 20 0 EHADLO Oc1cccc2c1CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C2 ZINC001143435879 1025263231 /nfs/dbraw/zinc/26/32/31/1025263231.db2.gz JEFDORMZERMVAQ-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Oc1cccc2c1CC[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C2 ZINC001143435879 1025263238 /nfs/dbraw/zinc/26/32/38/1025263238.db2.gz JEFDORMZERMVAQ-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H](C)CC3)cn2c1 ZINC000474649421 1025272766 /nfs/dbraw/zinc/27/27/66/1025272766.db2.gz JIAJTGNLPMOQGM-GOEBONIOSA-N 1 2 345.512 3.961 20 0 EHADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OCC ZINC000192970208 1025287193 /nfs/dbraw/zinc/28/71/93/1025287193.db2.gz KRFDUHBVRIWIDT-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OCC ZINC000192970208 1025287217 /nfs/dbraw/zinc/28/72/17/1025287217.db2.gz KRFDUHBVRIWIDT-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)C(C)(C)C ZINC000934292610 1025290170 /nfs/dbraw/zinc/29/01/70/1025290170.db2.gz PMTLXOQSXJRLPZ-IBGZPJMESA-N 1 2 335.455 3.848 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nc(-c2ccco2)no1)C(C)(C)C ZINC000934293160 1025300100 /nfs/dbraw/zinc/30/01/00/1025300100.db2.gz LKGQWZZRWAEDCH-INIZCTEOSA-N 1 2 326.400 3.910 20 0 EHADLO Cc1nc2ccccc2n1CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000563252148 1025313043 /nfs/dbraw/zinc/31/30/43/1025313043.db2.gz MBCGJKOILPHSHL-UHFFFAOYSA-N 1 2 347.466 3.906 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759113675 1025318748 /nfs/dbraw/zinc/31/87/48/1025318748.db2.gz OESWWTDWLTUEQU-BZNIZROVSA-N 1 2 325.239 3.905 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759113675 1025318753 /nfs/dbraw/zinc/31/87/53/1025318753.db2.gz OESWWTDWLTUEQU-BZNIZROVSA-N 1 2 325.239 3.905 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[NH+]1CCSCC1 ZINC000442471633 1025324402 /nfs/dbraw/zinc/32/44/02/1025324402.db2.gz LCDBKFVOLKHXAF-AWEZNQCLSA-N 1 2 338.476 3.634 20 0 EHADLO COC[C@@H]1CC[N@H+](Cc2c(Cl)ccc(Br)c2F)C1 ZINC001141887474 1025353698 /nfs/dbraw/zinc/35/36/98/1025353698.db2.gz IKPLVCUVXWHZOD-SECBINFHSA-N 1 2 336.632 3.710 20 0 EHADLO COC[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(Br)c2F)C1 ZINC001141887474 1025353715 /nfs/dbraw/zinc/35/37/15/1025353715.db2.gz IKPLVCUVXWHZOD-SECBINFHSA-N 1 2 336.632 3.710 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346978641 1025356230 /nfs/dbraw/zinc/35/62/30/1025356230.db2.gz ULSKLQYWMMCMHP-IBGZPJMESA-N 1 2 337.467 3.982 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346978641 1025356243 /nfs/dbraw/zinc/35/62/43/1025356243.db2.gz ULSKLQYWMMCMHP-IBGZPJMESA-N 1 2 337.467 3.982 20 0 EHADLO C[C@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000607746626 1033278677 /nfs/dbraw/zinc/27/86/77/1033278677.db2.gz CQPKIDHZGXRKBY-IFXJQAMLSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000607746626 1033278685 /nfs/dbraw/zinc/27/86/85/1033278685.db2.gz CQPKIDHZGXRKBY-IFXJQAMLSA-N 1 2 333.378 3.806 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nnnn2Cc2ccccc2)cc1 ZINC000607741581 1033278838 /nfs/dbraw/zinc/27/88/38/1033278838.db2.gz XPMLFDIMBJTWJS-HXUWFJFHSA-N 1 2 347.466 3.757 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nnnn2Cc2ccccc2)cc1 ZINC000607741581 1033278854 /nfs/dbraw/zinc/27/88/54/1033278854.db2.gz XPMLFDIMBJTWJS-HXUWFJFHSA-N 1 2 347.466 3.757 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000548686940 1025376017 /nfs/dbraw/zinc/37/60/17/1025376017.db2.gz UBYWFZNOMBUGFP-DLBZAZTESA-N 1 2 334.508 3.958 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033606 1025407900 /nfs/dbraw/zinc/40/79/00/1025407900.db2.gz AFBWKRPREPKWCE-WBVHZDCISA-N 1 2 326.444 3.592 20 0 EHADLO CC(C)[C@@H](O)[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000664529227 1025409360 /nfs/dbraw/zinc/40/93/60/1025409360.db2.gz AGBTUBOWIPEEPC-WOJBJXKFSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@@H](O)[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000664529227 1025409361 /nfs/dbraw/zinc/40/93/61/1025409361.db2.gz AGBTUBOWIPEEPC-WOJBJXKFSA-N 1 2 340.471 3.637 20 0 EHADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036681 1025421258 /nfs/dbraw/zinc/42/12/58/1025421258.db2.gz RSFRDRCZDYLWFP-LPHOPBHVSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036681 1025421269 /nfs/dbraw/zinc/42/12/69/1025421269.db2.gz RSFRDRCZDYLWFP-LPHOPBHVSA-N 1 2 343.492 3.561 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cs1 ZINC000281747753 1025424703 /nfs/dbraw/zinc/42/47/03/1025424703.db2.gz QTMJHBKZFUGYEB-LJQANCHMSA-N 1 2 330.497 3.754 20 0 EHADLO COCCOc1ccccc1CNc1cc[nH+]c2c(OC)cccc12 ZINC000436184113 1025435050 /nfs/dbraw/zinc/43/50/50/1025435050.db2.gz CGKSAQQQUUTCKL-UHFFFAOYSA-N 1 2 338.407 3.881 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000281771826 1025481764 /nfs/dbraw/zinc/48/17/64/1025481764.db2.gz IEFASQDGTBKELO-NRFANRHFSA-N 1 2 345.446 3.823 20 0 EHADLO FC1(CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCOCC1 ZINC001168126453 1025482231 /nfs/dbraw/zinc/48/22/31/1025482231.db2.gz UQQQRWJWASVBCU-UHFFFAOYSA-N 1 2 325.387 3.956 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)Cc1cccc(F)c1 ZINC000102675409 1025488791 /nfs/dbraw/zinc/48/87/91/1025488791.db2.gz NWVOCNVJAGVCCO-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)Cc1cccc(F)c1 ZINC000102675409 1025488801 /nfs/dbraw/zinc/48/88/01/1025488801.db2.gz NWVOCNVJAGVCCO-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)no1 ZINC000934333942 1025503161 /nfs/dbraw/zinc/50/31/61/1025503161.db2.gz SFCBSEUDRQNVDK-CQSZACIVSA-N 1 2 340.452 3.566 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](Cc3nccs3)C2)no1 ZINC000934333942 1025503173 /nfs/dbraw/zinc/50/31/73/1025503173.db2.gz SFCBSEUDRQNVDK-CQSZACIVSA-N 1 2 340.452 3.566 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)no1 ZINC000934333937 1025504708 /nfs/dbraw/zinc/50/47/08/1025504708.db2.gz SFCBSEUDRQNVDK-AWEZNQCLSA-N 1 2 340.452 3.566 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)no1 ZINC000934333937 1025504719 /nfs/dbraw/zinc/50/47/19/1025504719.db2.gz SFCBSEUDRQNVDK-AWEZNQCLSA-N 1 2 340.452 3.566 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000515722178 1025517744 /nfs/dbraw/zinc/51/77/44/1025517744.db2.gz KESKJEHDMLDPLE-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000515722178 1025517751 /nfs/dbraw/zinc/51/77/51/1025517751.db2.gz KESKJEHDMLDPLE-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122418 1025558657 /nfs/dbraw/zinc/55/86/57/1025558657.db2.gz RIGGXZKDDBLXPT-GHMZBOCLSA-N 1 2 328.225 3.514 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)cc(C)c3)CC2)s1 ZINC000515745134 1025536235 /nfs/dbraw/zinc/53/62/35/1025536235.db2.gz WVNLKXDWCSNVTF-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)CC2 ZINC000347126368 1025548076 /nfs/dbraw/zinc/54/80/76/1025548076.db2.gz UHDNUEDVUXWLGM-UHFFFAOYSA-N 1 2 344.283 3.643 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(F)c(C(F)(F)F)cc1F)CC2 ZINC000347126368 1025548084 /nfs/dbraw/zinc/54/80/84/1025548084.db2.gz UHDNUEDVUXWLGM-UHFFFAOYSA-N 1 2 344.283 3.643 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122418 1025558647 /nfs/dbraw/zinc/55/86/47/1025558647.db2.gz RIGGXZKDDBLXPT-GHMZBOCLSA-N 1 2 328.225 3.514 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)CC1 ZINC000370875021 1025560166 /nfs/dbraw/zinc/56/01/66/1025560166.db2.gz CAMHSYNRMKJJBM-UHFFFAOYSA-N 1 2 345.443 3.889 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442887277 1025569189 /nfs/dbraw/zinc/56/91/89/1025569189.db2.gz XLGJGYLUZKDYRD-ZDUSSCGKSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442894204 1025575998 /nfs/dbraw/zinc/57/59/98/1025575998.db2.gz UTTNFGWGPIHZSC-ZDUSSCGKSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000281854143 1025590139 /nfs/dbraw/zinc/59/01/39/1025590139.db2.gz QJFIBBXXBTXVIC-UHFFFAOYSA-N 1 2 338.411 3.906 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000521696516 1025596491 /nfs/dbraw/zinc/59/64/91/1025596491.db2.gz LVRRVUKJNVFLRN-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cc2ccccc2s1 ZINC000179169567 1025619711 /nfs/dbraw/zinc/61/97/11/1025619711.db2.gz ZONPFTACVSQZRG-STQMWFEESA-N 1 2 334.510 3.516 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000119708268 1025675583 /nfs/dbraw/zinc/67/55/83/1025675583.db2.gz JQZDRMOSGPTXRA-ROUUACIJSA-N 1 2 339.483 3.785 20 0 EHADLO COc1cc2c(c(C[N@H+](C)Cc3cnc(C(C)C)nc3)c1)O[C@@H](C)C2 ZINC000443064259 1025681202 /nfs/dbraw/zinc/68/12/02/1025681202.db2.gz FYZYGKOKHHWCHO-AWEZNQCLSA-N 1 2 341.455 3.564 20 0 EHADLO COc1cc2c(c(C[N@@H+](C)Cc3cnc(C(C)C)nc3)c1)O[C@@H](C)C2 ZINC000443064259 1025681206 /nfs/dbraw/zinc/68/12/06/1025681206.db2.gz FYZYGKOKHHWCHO-AWEZNQCLSA-N 1 2 341.455 3.564 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000303764535 1025687411 /nfs/dbraw/zinc/68/74/11/1025687411.db2.gz LQTWKKBQMJBFGM-OAHLLOKOSA-N 1 2 328.460 3.886 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000281919354 1025700752 /nfs/dbraw/zinc/70/07/52/1025700752.db2.gz AJZWPTZMJJINAK-QFBILLFUSA-N 1 2 330.472 3.673 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000081315864 1025710462 /nfs/dbraw/zinc/71/04/62/1025710462.db2.gz OWJARGSGBHQAHR-KRWDZBQOSA-N 1 2 339.464 3.812 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000505815884 1025716687 /nfs/dbraw/zinc/71/66/87/1025716687.db2.gz RARNNKUWIVRWDE-UHFFFAOYSA-N 1 2 330.403 3.738 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000505815884 1025716694 /nfs/dbraw/zinc/71/66/94/1025716694.db2.gz RARNNKUWIVRWDE-UHFFFAOYSA-N 1 2 330.403 3.738 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263879326 1025726704 /nfs/dbraw/zinc/72/67/04/1025726704.db2.gz WNFCSWZQLPXCBE-UHFFFAOYSA-N 1 2 343.814 3.857 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000522833861 1025739693 /nfs/dbraw/zinc/73/96/93/1025739693.db2.gz PCMZSRYQBUEZQY-AUUYWEPGSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000522833861 1025739702 /nfs/dbraw/zinc/73/97/02/1025739702.db2.gz PCMZSRYQBUEZQY-AUUYWEPGSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000522833864 1025740394 /nfs/dbraw/zinc/74/03/94/1025740394.db2.gz PCMZSRYQBUEZQY-LIRRHRJNSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000522833864 1025740408 /nfs/dbraw/zinc/74/04/08/1025740408.db2.gz PCMZSRYQBUEZQY-LIRRHRJNSA-N 1 2 344.455 3.943 20 0 EHADLO Cc1csc(C[C@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896621034 1025748693 /nfs/dbraw/zinc/74/86/93/1025748693.db2.gz OHRUWVGTKDKKGZ-CQSZACIVSA-N 1 2 328.485 3.886 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccccc2-n2ccnc2)c(C)[nH+]1 ZINC000436495363 1025780166 /nfs/dbraw/zinc/78/01/66/1025780166.db2.gz OYRMVONQOOENSY-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO CC(C)(C)CCc1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000347264015 1025780895 /nfs/dbraw/zinc/78/08/95/1025780895.db2.gz NBPPAHVWBUPOOC-UHFFFAOYSA-N 1 2 329.444 3.548 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c(C)[nH+]1 ZINC000436488351 1025793407 /nfs/dbraw/zinc/79/34/07/1025793407.db2.gz DSZMGPADLIPFAM-OAHLLOKOSA-N 1 2 326.444 3.653 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3cc(F)c(F)cc31)C2 ZINC000474901400 1025821467 /nfs/dbraw/zinc/82/14/67/1025821467.db2.gz JFTPNIFTOGSWOC-GFCCVEGCSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3cc(F)c(F)cc31)CC2 ZINC000474901400 1025821489 /nfs/dbraw/zinc/82/14/89/1025821489.db2.gz JFTPNIFTOGSWOC-GFCCVEGCSA-N 1 2 345.393 3.506 20 0 EHADLO C[C@@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccn(C)n1 ZINC000521982326 1025852600 /nfs/dbraw/zinc/85/26/00/1025852600.db2.gz GKWRNORQKNVZDU-KDOFPFPSSA-N 1 2 332.879 3.561 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000521993792 1025865255 /nfs/dbraw/zinc/86/52/55/1025865255.db2.gz WXRCKOABCFETMP-UHFFFAOYSA-N 1 2 340.471 3.948 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000657394147 1025882291 /nfs/dbraw/zinc/88/22/91/1025882291.db2.gz KJYMHGJJSCNTKY-ZDUSSCGKSA-N 1 2 349.500 3.539 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443307728 1025895237 /nfs/dbraw/zinc/89/52/37/1025895237.db2.gz CZCYRQKMTQQLNM-MRVPVSSYSA-N 1 2 344.230 3.741 20 0 EHADLO Cc1cc(N2CCC3(COC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000664569883 1025928024 /nfs/dbraw/zinc/92/80/24/1025928024.db2.gz LEBGWEAQACKJCD-UHFFFAOYSA-N 1 2 338.329 3.669 20 0 EHADLO CCOc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1F ZINC000051618193 1025940144 /nfs/dbraw/zinc/94/01/44/1025940144.db2.gz XYTXSNJUADACLD-UHFFFAOYSA-N 1 2 347.390 3.567 20 0 EHADLO CCOc1cccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000329522330 1025957979 /nfs/dbraw/zinc/95/79/79/1025957979.db2.gz RCCHCSPEXQDSGG-SFHVURJKSA-N 1 2 340.471 3.959 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CCS1 ZINC000444267809 1025989788 /nfs/dbraw/zinc/98/97/88/1025989788.db2.gz IDRJLZLSLPVEOT-KRWDZBQOSA-N 1 2 346.496 3.756 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CCS1 ZINC000444267809 1025989800 /nfs/dbraw/zinc/98/98/00/1025989800.db2.gz IDRJLZLSLPVEOT-KRWDZBQOSA-N 1 2 346.496 3.756 20 0 EHADLO Cc1[nH]c(CNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896916769 1025998570 /nfs/dbraw/zinc/99/85/70/1025998570.db2.gz RHZMKGRODRATMA-UHFFFAOYSA-N 1 2 339.361 3.639 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC000516117916 1026004331 /nfs/dbraw/zinc/00/43/31/1026004331.db2.gz QFYMWWZSKVNLSX-UHFFFAOYSA-N 1 2 326.421 3.591 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000352754523 1026024272 /nfs/dbraw/zinc/02/42/72/1026024272.db2.gz UKPDHXMFCLUUMW-OAHLLOKOSA-N 1 2 335.411 3.518 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2ccc(Cl)c(Cl)c2)[nH+]c1C ZINC000896922250 1026044342 /nfs/dbraw/zinc/04/43/42/1026044342.db2.gz ZPOBHOVDJDFEJL-UHFFFAOYSA-N 1 2 326.227 3.582 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000042297811 1026057890 /nfs/dbraw/zinc/05/78/90/1026057890.db2.gz CPJSDFPWOMHDKI-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000042297811 1026057906 /nfs/dbraw/zinc/05/79/06/1026057906.db2.gz CPJSDFPWOMHDKI-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO O=c1[nH]nc(C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)[nH]1 ZINC000329608759 1026065756 /nfs/dbraw/zinc/06/57/56/1026065756.db2.gz BSLCDOCKXYAUON-UHFFFAOYSA-N 1 2 340.471 3.664 20 0 EHADLO Cc1cc(-c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)nn1C(C)C ZINC000896820990 1026083691 /nfs/dbraw/zinc/08/36/91/1026083691.db2.gz NSXFBTNEUNKOGU-UHFFFAOYSA-N 1 2 348.410 3.599 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccnc2)nnn1-c1ccc(F)cc1 ZINC000158526505 1026086666 /nfs/dbraw/zinc/08/66/66/1026086666.db2.gz QKOGEEWHVJAXAU-STQMWFEESA-N 1 2 325.391 3.522 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2nc(Cl)nc3ccccc32)[nH+]c1C ZINC000895197112 1026099074 /nfs/dbraw/zinc/09/90/74/1026099074.db2.gz PHNHXAIUXAFJQQ-AWEZNQCLSA-N 1 2 327.819 3.965 20 0 EHADLO CC(C)CO[C@@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825782 1026100872 /nfs/dbraw/zinc/10/08/72/1026100872.db2.gz PMRJHUDVUKAPFS-AWEZNQCLSA-N 1 2 326.400 3.580 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000639383721 1026112563 /nfs/dbraw/zinc/11/25/63/1026112563.db2.gz FBROPQFOHYPFLF-WCBMZHEXSA-N 1 2 328.161 3.596 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000639383721 1026112569 /nfs/dbraw/zinc/11/25/69/1026112569.db2.gz FBROPQFOHYPFLF-WCBMZHEXSA-N 1 2 328.161 3.596 20 0 EHADLO CC(C)Oc1ccc(Cl)c(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)n1 ZINC000896963365 1026164027 /nfs/dbraw/zinc/16/40/27/1026164027.db2.gz GTMNNUXGFIDWGM-NSHDSACASA-N 1 2 347.806 3.572 20 0 EHADLO Fc1cccc([C@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)c1 ZINC000657422378 1026187338 /nfs/dbraw/zinc/18/73/38/1026187338.db2.gz OPUXBNSLXGEKHN-FQEVSTJZSA-N 1 2 336.414 3.706 20 0 EHADLO Cc1onc(-c2ccccc2)c1CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001141988296 1026214173 /nfs/dbraw/zinc/21/41/73/1026214173.db2.gz PHRHBRNUBHTAFJ-UHFFFAOYSA-N 1 2 347.409 3.565 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)n1C ZINC000530778565 1026286954 /nfs/dbraw/zinc/28/69/54/1026286954.db2.gz ABHYHDSLJBGUQW-MRXNPFEDSA-N 1 2 346.496 3.567 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)n1C ZINC000530778565 1026286966 /nfs/dbraw/zinc/28/69/66/1026286966.db2.gz ABHYHDSLJBGUQW-MRXNPFEDSA-N 1 2 346.496 3.567 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1Cc1ccco1 ZINC000530778119 1026288017 /nfs/dbraw/zinc/28/80/17/1026288017.db2.gz IPPBYBGZNDAUPJ-GASCZTMLSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1Cc1ccco1 ZINC000530778119 1026288026 /nfs/dbraw/zinc/28/80/26/1026288026.db2.gz IPPBYBGZNDAUPJ-GASCZTMLSA-N 1 2 346.496 3.755 20 0 EHADLO Fc1cccc(F)c1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032432 1026329140 /nfs/dbraw/zinc/32/91/40/1026329140.db2.gz KYXJESWKCPFQHA-CQSZACIVSA-N 1 2 331.410 3.877 20 0 EHADLO O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000582462435 1026332741 /nfs/dbraw/zinc/33/27/41/1026332741.db2.gz WPGGHPVTFUOUTD-ROUUACIJSA-N 1 2 346.434 3.724 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451929450 1026379455 /nfs/dbraw/zinc/37/94/55/1026379455.db2.gz SSDONKRQBNGHOF-UHFFFAOYSA-N 1 2 348.441 3.667 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C2CC2)cc1 ZINC000582475210 1026381036 /nfs/dbraw/zinc/38/10/36/1026381036.db2.gz FVKRUKQXJBZWKH-KDOFPFPSSA-N 1 2 338.455 3.558 20 0 EHADLO O=C(c1ccc(-c2ccccc2)o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342588712 1026394089 /nfs/dbraw/zinc/39/40/89/1026394089.db2.gz JMUWOQNKSPGSAO-KRWDZBQOSA-N 1 2 334.375 3.635 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)C1CCCCC1 ZINC000530918740 1026397321 /nfs/dbraw/zinc/39/73/21/1026397321.db2.gz AAWZWHUURLNELM-QGZVFWFLSA-N 1 2 344.499 3.643 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1csc(CC)n1)CCC2 ZINC000192845391 1026401909 /nfs/dbraw/zinc/40/19/09/1026401909.db2.gz RDJHXQJKAGACNF-ZDUSSCGKSA-N 1 2 348.468 3.951 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000530962527 1026437183 /nfs/dbraw/zinc/43/71/83/1026437183.db2.gz CBDZGZHDXSAMDD-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000530962527 1026437187 /nfs/dbraw/zinc/43/71/87/1026437187.db2.gz CBDZGZHDXSAMDD-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO Clc1ccccc1C1CC(Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000324909298 1026457563 /nfs/dbraw/zinc/45/75/63/1026457563.db2.gz XAMYFQZKNURTGO-UHFFFAOYSA-N 1 2 343.858 3.930 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000122438872 1026466464 /nfs/dbraw/zinc/46/64/64/1026466464.db2.gz LGQFSPQAYRDOOQ-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000122438872 1026466466 /nfs/dbraw/zinc/46/64/66/1026466466.db2.gz LGQFSPQAYRDOOQ-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000475338421 1026491875 /nfs/dbraw/zinc/49/18/75/1026491875.db2.gz XPTHIICASHADSZ-UHFFFAOYSA-N 1 2 338.436 3.922 20 0 EHADLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000475338421 1026491887 /nfs/dbraw/zinc/49/18/87/1026491887.db2.gz XPTHIICASHADSZ-UHFFFAOYSA-N 1 2 338.436 3.922 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159156970 1026504244 /nfs/dbraw/zinc/50/42/44/1026504244.db2.gz BCYWRYUOVBYJCN-JKSUJKDBSA-N 1 2 342.443 3.662 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167895461 1026506997 /nfs/dbraw/zinc/50/69/97/1026506997.db2.gz NSDLLYOBAVFRFA-CXAGYDPISA-N 1 2 341.459 3.546 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4cnn(C(C)C)c4c3)ccn12 ZINC001125607845 1026638379 /nfs/dbraw/zinc/63/83/79/1026638379.db2.gz VQBDNPBQBGSKMS-UHFFFAOYSA-N 1 2 333.395 3.826 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cnnn2C)c2ccc(F)cc2Cl)cc1 ZINC000531191580 1026663857 /nfs/dbraw/zinc/66/38/57/1026663857.db2.gz QUGSMYGYJZGEPR-GOSISDBHSA-N 1 2 344.821 3.795 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000301080709 1026678384 /nfs/dbraw/zinc/67/83/84/1026678384.db2.gz ICHZPJSFSPIZCG-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000301106870 1026687332 /nfs/dbraw/zinc/68/73/32/1026687332.db2.gz QVYRGTVVJVKBCT-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1cc(Br)ccc1NC(=O)CCNc1cccc[nH+]1 ZINC000301160778 1026706163 /nfs/dbraw/zinc/70/61/63/1026706163.db2.gz HDTLVSYDSLMSSZ-UHFFFAOYSA-N 1 2 334.217 3.593 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657496842 1026764114 /nfs/dbraw/zinc/76/41/14/1026764114.db2.gz YDSVTQQCABORFS-UHFFFAOYSA-N 1 2 334.851 3.690 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCCSCC1 ZINC000301362120 1026776826 /nfs/dbraw/zinc/77/68/26/1026776826.db2.gz PBDFKWQICGGSBR-UHFFFAOYSA-N 1 2 330.453 3.663 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000301479501 1026822613 /nfs/dbraw/zinc/82/26/13/1026822613.db2.gz YDFYWWJGMSEWMW-INIZCTEOSA-N 1 2 335.373 3.772 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000452589103 1026840675 /nfs/dbraw/zinc/84/06/75/1026840675.db2.gz KIBAYSIRIQGBMI-SUMWQHHRSA-N 1 2 347.821 3.506 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764154 1026843829 /nfs/dbraw/zinc/84/38/29/1026843829.db2.gz MLUAVCKRYVGIDM-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764154 1026843838 /nfs/dbraw/zinc/84/38/38/1026843838.db2.gz MLUAVCKRYVGIDM-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)COc1ccc(F)cc1 ZINC000301559396 1026854989 /nfs/dbraw/zinc/85/49/89/1026854989.db2.gz JRWIQKVZUJDIMF-MRXNPFEDSA-N 1 2 326.371 3.534 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000342722911 1026855509 /nfs/dbraw/zinc/85/55/09/1026855509.db2.gz CYUDALANDHEZJD-HNAYVOBHSA-N 1 2 338.455 3.506 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000025416996 1026859499 /nfs/dbraw/zinc/85/94/99/1026859499.db2.gz CVFBNTHZXGEAIU-JOCHJYFZSA-N 1 2 345.446 3.962 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2(C)C)cc1 ZINC000582647098 1026862870 /nfs/dbraw/zinc/86/28/70/1026862870.db2.gz XEDYNLNESUWBOI-UHFFFAOYSA-N 1 2 343.492 3.774 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCc3ccccc3C2(C)C)cc1 ZINC000582647098 1026862879 /nfs/dbraw/zinc/86/28/79/1026862879.db2.gz XEDYNLNESUWBOI-UHFFFAOYSA-N 1 2 343.492 3.774 20 0 EHADLO Fc1cc(CNc2c(F)c(F)nc(F)c2F)ccc1-n1cc[nH+]c1 ZINC000301588176 1026863576 /nfs/dbraw/zinc/86/35/76/1026863576.db2.gz BVSVWMYARABWFV-UHFFFAOYSA-N 1 2 340.255 3.575 20 0 EHADLO Cc1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)nc(C(C)C)[nH+]1 ZINC000301609801 1026873181 /nfs/dbraw/zinc/87/31/81/1026873181.db2.gz BPIKUKKBIXPGAO-CYBMUJFWSA-N 1 2 331.851 3.648 20 0 EHADLO Cc1cc(N[C@@H](CN2CCCC2=O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301660541 1026892603 /nfs/dbraw/zinc/89/26/03/1026892603.db2.gz MNEOSNDGIANFIM-KRWDZBQOSA-N 1 2 338.455 3.684 20 0 EHADLO Cc1ccnc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000301665050 1026893717 /nfs/dbraw/zinc/89/37/17/1026893717.db2.gz ZOWKMBODIJUPSJ-IAGOWNOFSA-N 1 2 325.456 3.611 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H](c2ccccc2)C1 ZINC000666001741 1026905596 /nfs/dbraw/zinc/90/55/96/1026905596.db2.gz XCZORNWCCFLLHK-DKIMLUQUSA-N 1 2 337.467 3.918 20 0 EHADLO Cc1nc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000301706943 1026910200 /nfs/dbraw/zinc/91/02/00/1026910200.db2.gz VVRWDFOWPUXFHO-UHFFFAOYSA-N 1 2 327.272 3.723 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531440746 1026923126 /nfs/dbraw/zinc/92/31/26/1026923126.db2.gz ZKLPELBGXPLSHR-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531440746 1026923138 /nfs/dbraw/zinc/92/31/38/1026923138.db2.gz ZKLPELBGXPLSHR-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1ccc(Br)cn1 ZINC000563432764 1026930258 /nfs/dbraw/zinc/93/02/58/1026930258.db2.gz OCOYQILCFLNITC-UHFFFAOYSA-N 1 2 345.244 3.809 20 0 EHADLO CSc1ccccc1NC(=O)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301808642 1026948100 /nfs/dbraw/zinc/94/81/00/1026948100.db2.gz AXKOQYJMOWPEKH-UHFFFAOYSA-N 1 2 344.484 3.705 20 0 EHADLO CNC(=O)c1ccc(CN(C)c2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000301831191 1026955694 /nfs/dbraw/zinc/95/56/94/1026955694.db2.gz SLQUAZOGUAPIML-UHFFFAOYSA-N 1 2 340.471 3.719 20 0 EHADLO CCCCN(Cc1c(C)oc(C)c1C)C(=O)CCc1c[nH+]cn1C ZINC000928912974 1026960659 /nfs/dbraw/zinc/96/06/59/1026960659.db2.gz HPZUPVBXQWDDJH-UHFFFAOYSA-N 1 2 331.460 3.700 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000305787866 1026983620 /nfs/dbraw/zinc/98/36/20/1026983620.db2.gz YXWATVGTNFHOAD-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO Cc1cccc(OC[C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301905080 1026989063 /nfs/dbraw/zinc/98/90/63/1026989063.db2.gz YMIPIPPYXJVLDQ-CQSZACIVSA-N 1 2 339.443 3.769 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)n2)c(F)c1 ZINC000582701444 1026990294 /nfs/dbraw/zinc/99/02/94/1026990294.db2.gz SYVBTAYPKIDRQH-LJQANCHMSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)n2)c(F)c1 ZINC000582701444 1026990297 /nfs/dbraw/zinc/99/02/97/1026990297.db2.gz SYVBTAYPKIDRQH-LJQANCHMSA-N 1 2 340.377 3.883 20 0 EHADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000301926811 1026997081 /nfs/dbraw/zinc/99/70/81/1026997081.db2.gz ZFRYPFJTXINCGX-OAHLLOKOSA-N 1 2 344.418 3.754 20 0 EHADLO Cc1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1[NH+](C)C ZINC000301929963 1026998049 /nfs/dbraw/zinc/99/80/49/1026998049.db2.gz MGSCZTCFFRVPCC-UHFFFAOYSA-N 1 2 340.395 3.801 20 0 EHADLO CCC1(CC)[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C[C@@H]1OC ZINC000301927984 1026998324 /nfs/dbraw/zinc/99/83/24/1026998324.db2.gz NHPBRZPWNZTGHQ-KBPBESRZSA-N 1 2 331.464 3.587 20 0 EHADLO CCc1nsc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972990 1027012101 /nfs/dbraw/zinc/01/21/01/1027012101.db2.gz JALUJAULGMOHDH-TZMCWYRMSA-N 1 2 340.855 3.750 20 0 EHADLO CCc1nsc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972990 1027012110 /nfs/dbraw/zinc/01/21/10/1027012110.db2.gz JALUJAULGMOHDH-TZMCWYRMSA-N 1 2 340.855 3.750 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301977080 1027013875 /nfs/dbraw/zinc/01/38/75/1027013875.db2.gz FDKYOLMIJBBQIV-ZDUSSCGKSA-N 1 2 332.398 3.943 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301977080 1027013878 /nfs/dbraw/zinc/01/38/78/1027013878.db2.gz FDKYOLMIJBBQIV-ZDUSSCGKSA-N 1 2 332.398 3.943 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ncc(Br)s1 ZINC000714050404 1027018839 /nfs/dbraw/zinc/01/88/39/1027018839.db2.gz BTFFBIZTQROVCZ-UHFFFAOYSA-N 1 2 326.263 3.892 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2cc(N[C@H]3CC[C@H](SC)C3)nc[nH+]2)C1 ZINC000302258033 1027113554 /nfs/dbraw/zinc/11/35/54/1027113554.db2.gz BHXKUEKAXYBMQU-XDQVBPFNSA-N 1 2 338.546 3.869 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2cc(N[C@H]3CC[C@H](SC)C3)[nH+]cn2)C1 ZINC000302258033 1027113561 /nfs/dbraw/zinc/11/35/61/1027113561.db2.gz BHXKUEKAXYBMQU-XDQVBPFNSA-N 1 2 338.546 3.869 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000125768150 1027122435 /nfs/dbraw/zinc/12/24/35/1027122435.db2.gz SNRAPIABTYAXMX-VVEVLUTRSA-N 1 2 327.403 3.535 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000342797403 1027128885 /nfs/dbraw/zinc/12/88/85/1027128885.db2.gz FIVHMBHZFNPULP-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000342797403 1027128891 /nfs/dbraw/zinc/12/88/91/1027128891.db2.gz FIVHMBHZFNPULP-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000075534249 1027146162 /nfs/dbraw/zinc/14/61/62/1027146162.db2.gz IAHDOHBGDOYLIR-KGLIPLIRSA-N 1 2 347.846 3.545 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459267674 1027156850 /nfs/dbraw/zinc/15/68/50/1027156850.db2.gz DIJWKSYTEVQUKH-HKUYNNGSSA-N 1 2 332.492 3.520 20 0 EHADLO COc1cccc2c(NC[C@](C)(O)c3cc(C)oc3C)cc[nH+]c12 ZINC000302494999 1027167046 /nfs/dbraw/zinc/16/70/46/1027167046.db2.gz BBIKCMUFKMOZEA-IBGZPJMESA-N 1 2 326.396 3.773 20 0 EHADLO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554525 1027167536 /nfs/dbraw/zinc/16/75/36/1027167536.db2.gz LKTNXRJKMKDBMI-HNNXBMFYSA-N 1 2 346.434 3.855 20 0 EHADLO Cc1cc2occ(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2cc1C ZINC000075553519 1027167804 /nfs/dbraw/zinc/16/78/04/1027167804.db2.gz QGEGVEIHWQDSMX-HNNXBMFYSA-N 1 2 337.423 3.721 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555836 1027170765 /nfs/dbraw/zinc/17/07/65/1027170765.db2.gz AXOKETWWUMLCGD-GFCCVEGCSA-N 1 2 338.238 3.665 20 0 EHADLO CC[C@@]1(C(C)C)C[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454217973 1027184701 /nfs/dbraw/zinc/18/47/01/1027184701.db2.gz JVKSRJIVQAQLLS-QUCCMNQESA-N 1 2 340.471 3.555 20 0 EHADLO COCc1nc(C[N@H+](C)CCCOc2ccc(Cl)cc2)cs1 ZINC000075643387 1027186870 /nfs/dbraw/zinc/18/68/70/1027186870.db2.gz ZKZQGFZNRZJYSC-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO COCc1nc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)cs1 ZINC000075643387 1027186879 /nfs/dbraw/zinc/18/68/79/1027186879.db2.gz ZKZQGFZNRZJYSC-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCCS3)n2)C1 ZINC000272985042 1027209635 /nfs/dbraw/zinc/20/96/35/1027209635.db2.gz VPUDUVBGWXLKAO-OCCSQVGLSA-N 1 2 339.530 3.599 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCCS3)n2)C1 ZINC000272985042 1027209653 /nfs/dbraw/zinc/20/96/53/1027209653.db2.gz VPUDUVBGWXLKAO-OCCSQVGLSA-N 1 2 339.530 3.599 20 0 EHADLO Cc1ccc(-c2noc(NCc3ccccc3-n3cc[nH+]c3)n2)cc1 ZINC000302640244 1027218726 /nfs/dbraw/zinc/21/87/26/1027218726.db2.gz IBCVGTYIRKIGFQ-UHFFFAOYSA-N 1 2 331.379 3.843 20 0 EHADLO Cc1ccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)cc1 ZINC000075997606 1027219975 /nfs/dbraw/zinc/21/99/75/1027219975.db2.gz LPZTVVMCMICAIN-UHFFFAOYSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075831910 1027227670 /nfs/dbraw/zinc/22/76/70/1027227670.db2.gz SHMOPANKDBDGRG-SFHVURJKSA-N 1 2 344.499 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075831910 1027227688 /nfs/dbraw/zinc/22/76/88/1027227688.db2.gz SHMOPANKDBDGRG-SFHVURJKSA-N 1 2 344.499 3.974 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2(CCC2)CO1 ZINC000639731124 1027253660 /nfs/dbraw/zinc/25/36/60/1027253660.db2.gz PVFFFBFUCLDMPJ-MELADBBJSA-N 1 2 333.394 3.568 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2(CCC2)CO1 ZINC000639731124 1027253667 /nfs/dbraw/zinc/25/36/67/1027253667.db2.gz PVFFFBFUCLDMPJ-MELADBBJSA-N 1 2 333.394 3.568 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@](C)(F)C2)cc1 ZINC000501418975 1027270779 /nfs/dbraw/zinc/27/07/79/1027270779.db2.gz MLZOLSZSKGUSQH-AZUAARDMSA-N 1 2 348.462 3.573 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@](C)(F)C2)cc1 ZINC000501418975 1027270791 /nfs/dbraw/zinc/27/07/91/1027270791.db2.gz MLZOLSZSKGUSQH-AZUAARDMSA-N 1 2 348.462 3.573 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000076352716 1027274038 /nfs/dbraw/zinc/27/40/38/1027274038.db2.gz HARMRXRGYVTYHE-UHFFFAOYSA-N 1 2 345.855 3.836 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC([C@@H]2CCCO2)CC1 ZINC000302791423 1027294105 /nfs/dbraw/zinc/29/41/05/1027294105.db2.gz YJWVAQMRKWBKKP-KRWDZBQOSA-N 1 2 326.440 3.947 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)CCC2 ZINC000302867817 1027334630 /nfs/dbraw/zinc/33/46/30/1027334630.db2.gz ZPPHUGZVLKEKNB-INIZCTEOSA-N 1 2 344.459 3.658 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC000302867817 1027334643 /nfs/dbraw/zinc/33/46/43/1027334643.db2.gz ZPPHUGZVLKEKNB-INIZCTEOSA-N 1 2 344.459 3.658 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000302873772 1027338179 /nfs/dbraw/zinc/33/81/79/1027338179.db2.gz CWVIUNOJOTVCRU-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1c1cc(N2CCSCC2)nc[nH+]1 ZINC000302873772 1027338196 /nfs/dbraw/zinc/33/81/96/1027338196.db2.gz CWVIUNOJOTVCRU-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1cccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000501533598 1027346787 /nfs/dbraw/zinc/34/67/87/1027346787.db2.gz RUQZTUNTCJXUBK-POHAHGRESA-N 1 2 336.479 3.705 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000501602193 1027386078 /nfs/dbraw/zinc/38/60/78/1027386078.db2.gz HQLUPHKQQZGIFF-FTZCXEDUSA-N 1 2 342.527 3.913 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000077549254 1027427713 /nfs/dbraw/zinc/42/77/13/1027427713.db2.gz NQWWMPXZAGNREM-IAGOWNOFSA-N 1 2 340.471 3.845 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128569297 1027452440 /nfs/dbraw/zinc/45/24/40/1027452440.db2.gz HRKWKADXBRIEHG-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO Cc1cccc2c(CCNC(=O)c3cccc(-n4cc[nH+]c4)c3)c[nH]c21 ZINC000128658998 1027465005 /nfs/dbraw/zinc/46/50/05/1027465005.db2.gz RHYNUDZGGDBKRP-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000459303905 1027466584 /nfs/dbraw/zinc/46/65/84/1027466584.db2.gz GFZMPMBMGVGMPH-GOSISDBHSA-N 1 2 340.471 3.671 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000459303905 1027466596 /nfs/dbraw/zinc/46/65/96/1027466596.db2.gz GFZMPMBMGVGMPH-GOSISDBHSA-N 1 2 340.471 3.671 20 0 EHADLO Cc1cc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c(C)c[nH+]1 ZINC000536575370 1027492129 /nfs/dbraw/zinc/49/21/29/1027492129.db2.gz RVOSWYJAFUABHR-UHFFFAOYSA-N 1 2 341.798 3.610 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H]2CCc3ccccc32)c2nccn2C)cc1 ZINC000129055304 1027514876 /nfs/dbraw/zinc/51/48/76/1027514876.db2.gz XTBJVAKASXZEAZ-UXHICEINSA-N 1 2 333.435 3.795 20 0 EHADLO FC(F)(F)c1ccc2nnc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2c1 ZINC000078227544 1027521589 /nfs/dbraw/zinc/52/15/89/1027521589.db2.gz BYXPCEVJZCEFKB-GFCCVEGCSA-N 1 2 347.344 3.527 20 0 EHADLO CC[C@](C)(NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000664252464 1027599107 /nfs/dbraw/zinc/59/91/07/1027599107.db2.gz OOHNJMYRFXQHBZ-XLIONFOSSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000582765293 1027619339 /nfs/dbraw/zinc/61/93/39/1027619339.db2.gz DEGMQDYXBXOEHP-JTQLQIEISA-N 1 2 326.227 3.990 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000582765293 1027619345 /nfs/dbraw/zinc/61/93/45/1027619345.db2.gz DEGMQDYXBXOEHP-JTQLQIEISA-N 1 2 326.227 3.990 20 0 EHADLO COc1ccccc1CN(C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC000422203923 1027636566 /nfs/dbraw/zinc/63/65/66/1027636566.db2.gz IQHODPKUSVGXAC-UHFFFAOYSA-N 1 2 339.439 3.581 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc(C)[nH+]1 ZINC000422198310 1027643320 /nfs/dbraw/zinc/64/33/20/1027643320.db2.gz CBPBPJVUYGDNHI-DYVFJYSZSA-N 1 2 327.428 3.974 20 0 EHADLO CCCC[N@H+](Cc1c(Cl)cccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000475569276 1027652997 /nfs/dbraw/zinc/65/29/97/1027652997.db2.gz WOOBSXRTKNORGO-OAHLLOKOSA-N 1 2 343.920 3.692 20 0 EHADLO CCCC[N@@H+](Cc1c(Cl)cccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000475569276 1027653005 /nfs/dbraw/zinc/65/30/05/1027653005.db2.gz WOOBSXRTKNORGO-OAHLLOKOSA-N 1 2 343.920 3.692 20 0 EHADLO Cc1cc(CNC(=O)NCCCSc2ccccc2)cc(C)[nH+]1 ZINC000420754313 1027713073 /nfs/dbraw/zinc/71/30/73/1027713073.db2.gz AJWHKNFXWXZMMM-UHFFFAOYSA-N 1 2 329.469 3.680 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@@H](c3cccnc3)C3CC3)o2)cc1 ZINC000347332652 1027733072 /nfs/dbraw/zinc/73/30/72/1027733072.db2.gz CHOSSXLYYMUMCC-HXUWFJFHSA-N 1 2 335.407 3.986 20 0 EHADLO Cc1n[nH]c(C)c1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000131117408 1027738381 /nfs/dbraw/zinc/73/83/81/1027738381.db2.gz XVOBHADKRLOIGF-OAHLLOKOSA-N 1 2 332.879 3.559 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](C)Sc2ccccc2)cc(C)[nH+]1 ZINC000420800505 1027740105 /nfs/dbraw/zinc/74/01/05/1027740105.db2.gz QBVGCNXXKOTCTH-HNNXBMFYSA-N 1 2 329.469 3.678 20 0 EHADLO CCC(CC)c1cc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)on1 ZINC000420807438 1027743905 /nfs/dbraw/zinc/74/39/05/1027743905.db2.gz XCEIEBDHQIJMCV-UHFFFAOYSA-N 1 2 330.432 3.589 20 0 EHADLO CSc1ccc(F)cc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420793583 1027755204 /nfs/dbraw/zinc/75/52/04/1027755204.db2.gz KEXHZSRLYZOJDP-UHFFFAOYSA-N 1 2 333.432 3.559 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CSC2 ZINC000657641640 1027760023 /nfs/dbraw/zinc/76/00/23/1027760023.db2.gz IGMJGSIZKKLPOR-ZDUSSCGKSA-N 1 2 325.231 3.515 20 0 EHADLO CCCOC1(CNC(=O)NCc2cc(C)[nH+]c(C)c2)CCCCC1 ZINC000420840142 1027782685 /nfs/dbraw/zinc/78/26/85/1027782685.db2.gz AAXQKOJULXJVLI-UHFFFAOYSA-N 1 2 333.476 3.627 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420849225 1027791062 /nfs/dbraw/zinc/79/10/62/1027791062.db2.gz NKTXVAWVLOOEQH-HNNXBMFYSA-N 1 2 327.428 3.610 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(F)cc1F ZINC000420852832 1027794840 /nfs/dbraw/zinc/79/48/40/1027794840.db2.gz STTVAEPLOTUWDV-QGZVFWFLSA-N 1 2 333.382 3.927 20 0 EHADLO FC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000414475968 1027796083 /nfs/dbraw/zinc/79/60/83/1027796083.db2.gz IKHZDQFOKASDSG-GFCCVEGCSA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000414475968 1027796105 /nfs/dbraw/zinc/79/61/05/1027796105.db2.gz IKHZDQFOKASDSG-GFCCVEGCSA-N 1 2 325.733 3.919 20 0 EHADLO CCn1nncc1C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000459350082 1027802257 /nfs/dbraw/zinc/80/22/57/1027802257.db2.gz JGRIEWGCZXFAMB-UHFFFAOYSA-N 1 2 336.439 3.509 20 0 EHADLO CCn1nncc1C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000459350082 1027802274 /nfs/dbraw/zinc/80/22/74/1027802274.db2.gz JGRIEWGCZXFAMB-UHFFFAOYSA-N 1 2 336.439 3.509 20 0 EHADLO O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000509968341 1027824107 /nfs/dbraw/zinc/82/41/07/1027824107.db2.gz FISMQZUHHWKANN-KESTWPANSA-N 1 2 349.409 3.747 20 0 EHADLO Cc1sc2nc(C[NH+]3CCCC3)nc(Sc3ncc[nH]3)c2c1C ZINC000078469732 1027842207 /nfs/dbraw/zinc/84/22/07/1027842207.db2.gz NFDXWNYWPVHTPR-UHFFFAOYSA-N 1 2 345.497 3.778 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000626829356 1027864922 /nfs/dbraw/zinc/86/49/22/1027864922.db2.gz YSMQWJFVEPZBQH-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922316 1027868865 /nfs/dbraw/zinc/86/88/65/1027868865.db2.gz FHQBCUBCTZDZPK-UONOGXRCSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922316 1027868889 /nfs/dbraw/zinc/86/88/89/1027868889.db2.gz FHQBCUBCTZDZPK-UONOGXRCSA-N 1 2 336.476 3.914 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H](C(=O)OC)[C@@H](C)C3)cc[nH+]c12 ZINC000503550650 1027883341 /nfs/dbraw/zinc/88/33/41/1027883341.db2.gz IGUYZYFNPSXQHN-GJZGRUSLSA-N 1 2 342.439 3.659 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246172093 1027904354 /nfs/dbraw/zinc/90/43/54/1027904354.db2.gz RUEPIWBZLKEBLA-IIDMSEBBSA-N 1 2 345.874 3.825 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000533492975 1027954233 /nfs/dbraw/zinc/95/42/33/1027954233.db2.gz KMOVJBCYDMSGHP-OLZOCXBDSA-N 1 2 330.394 3.699 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000533492975 1027954253 /nfs/dbraw/zinc/95/42/53/1027954253.db2.gz KMOVJBCYDMSGHP-OLZOCXBDSA-N 1 2 330.394 3.699 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010426 1027964394 /nfs/dbraw/zinc/96/43/94/1027964394.db2.gz ITZTVLJWRMRJLQ-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010426 1027964408 /nfs/dbraw/zinc/96/44/08/1027964408.db2.gz ITZTVLJWRMRJLQ-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO Cc1cc(NC(=O)N(C)CCCOc2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000536620646 1027966905 /nfs/dbraw/zinc/96/69/05/1027966905.db2.gz JEIDBVAYWPANAY-UHFFFAOYSA-N 1 2 347.846 3.707 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000133026713 1027994275 /nfs/dbraw/zinc/99/42/75/1027994275.db2.gz KDJGLUAJPJGHJW-CVEARBPZSA-N 1 2 339.345 3.893 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1ccnn1C(C)C)C2 ZINC000421036426 1027997126 /nfs/dbraw/zinc/99/71/26/1027997126.db2.gz IYZTVLDTGDRTCR-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1ccnn1C(C)C)C2 ZINC000421036426 1027997156 /nfs/dbraw/zinc/99/71/56/1027997156.db2.gz IYZTVLDTGDRTCR-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CNc1ccc(N(C)C)[nH+]c1 ZINC000459368408 1028018138 /nfs/dbraw/zinc/01/81/38/1028018138.db2.gz XREHBCAWKINGSU-UHFFFAOYSA-N 1 2 327.457 3.655 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000051562984 1028034373 /nfs/dbraw/zinc/03/43/73/1028034373.db2.gz AGAYRLGOWOROHI-OLZOCXBDSA-N 1 2 327.819 3.728 20 0 EHADLO COc1ccc(OC(C)C)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421073529 1028055257 /nfs/dbraw/zinc/05/52/57/1028055257.db2.gz XGJIDHLBYAKHBI-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO Cc1cccc(F)c1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000134102396 1028093386 /nfs/dbraw/zinc/09/33/86/1028093386.db2.gz GDLMFXVYDWGCIM-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO CC(C)COc1cccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422980868 1028109040 /nfs/dbraw/zinc/10/90/40/1028109040.db2.gz RKKVMZHEFSULAQ-QGZVFWFLSA-N 1 2 334.366 3.638 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1ccccc1 ZINC000423023250 1028121693 /nfs/dbraw/zinc/12/16/93/1028121693.db2.gz HCVNCPDUGLXMBE-KSSFIOAISA-N 1 2 332.394 3.521 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)C1CCC1 ZINC000455387146 1028131821 /nfs/dbraw/zinc/13/18/21/1028131821.db2.gz PVFMSPXUXYWDLS-UHFFFAOYSA-N 1 2 334.508 3.693 20 0 EHADLO COc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc(OC)c1Cl ZINC000421160440 1028138259 /nfs/dbraw/zinc/13/82/59/1028138259.db2.gz RDTFQYRCUKFZMU-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1C ZINC000444689023 1028159835 /nfs/dbraw/zinc/15/98/35/1028159835.db2.gz DZDLRJUXTRYJTN-ZFWWWQNUSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1C ZINC000444689023 1028159841 /nfs/dbraw/zinc/15/98/41/1028159841.db2.gz DZDLRJUXTRYJTN-ZFWWWQNUSA-N 1 2 336.501 3.822 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000444691137 1028164035 /nfs/dbraw/zinc/16/40/35/1028164035.db2.gz CPKWHWALPAYUKI-XPGWFJOJSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000444691137 1028164048 /nfs/dbraw/zinc/16/40/48/1028164048.db2.gz CPKWHWALPAYUKI-XPGWFJOJSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692726 1028167814 /nfs/dbraw/zinc/16/78/14/1028167814.db2.gz MXAWGTSWVYQGTP-ZIAGYGMSSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444692726 1028167821 /nfs/dbraw/zinc/16/78/21/1028167821.db2.gz MXAWGTSWVYQGTP-ZIAGYGMSSA-N 1 2 332.394 3.663 20 0 EHADLO c1ccc2ncc(OCc3cccc(C[NH+]4CCOCC4)c3)cc2c1 ZINC000421206167 1028176675 /nfs/dbraw/zinc/17/66/75/1028176675.db2.gz AILYHJMMLZVCQD-UHFFFAOYSA-N 1 2 334.419 3.646 20 0 EHADLO C[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCc2ccccc2NC1=O ZINC000444703364 1028180254 /nfs/dbraw/zinc/18/02/54/1028180254.db2.gz SNTLEPCZLULAAH-QGZVFWFLSA-N 1 2 332.806 3.864 20 0 EHADLO C[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCc2ccccc2NC1=O ZINC000444703364 1028180262 /nfs/dbraw/zinc/18/02/62/1028180262.db2.gz SNTLEPCZLULAAH-QGZVFWFLSA-N 1 2 332.806 3.864 20 0 EHADLO Cc1cc2[nH]c(C[NH2+]Cc3nccc(C(F)(F)F)n3)cc2c(C)c1 ZINC000414505206 1028181781 /nfs/dbraw/zinc/18/17/81/1028181781.db2.gz LOJXZCWDRMXYOG-UHFFFAOYSA-N 1 2 334.345 3.883 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548778990 1028194063 /nfs/dbraw/zinc/19/40/63/1028194063.db2.gz NSSXFLXUKRBRFW-QGZVFWFLSA-N 1 2 341.459 3.759 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCCOc2ccccc2)c(C)[nH+]1 ZINC000455464649 1028194418 /nfs/dbraw/zinc/19/44/18/1028194418.db2.gz DUWIKJJVGGCADS-UHFFFAOYSA-N 1 2 327.428 3.940 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444719841 1028210810 /nfs/dbraw/zinc/21/08/10/1028210810.db2.gz NKYUGQFDYNMRSP-PWSUYJOCSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444719841 1028210813 /nfs/dbraw/zinc/21/08/13/1028210813.db2.gz NKYUGQFDYNMRSP-PWSUYJOCSA-N 1 2 336.423 3.576 20 0 EHADLO Cc1ccc(O[C@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455478461 1028213568 /nfs/dbraw/zinc/21/35/68/1028213568.db2.gz FYNQVXYGLJDXIE-OAHLLOKOSA-N 1 2 327.428 3.904 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1F ZINC000444740541 1028226179 /nfs/dbraw/zinc/22/61/79/1028226179.db2.gz XQHKORCXEMXVIN-CYBMUJFWSA-N 1 2 325.387 3.976 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1F ZINC000444740541 1028226194 /nfs/dbraw/zinc/22/61/94/1028226194.db2.gz XQHKORCXEMXVIN-CYBMUJFWSA-N 1 2 325.387 3.976 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2Cl)CCN1 ZINC000054395075 1028229636 /nfs/dbraw/zinc/22/96/36/1028229636.db2.gz NBDQUXMIKOCPCM-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2Cl)CCN1 ZINC000054395075 1028229653 /nfs/dbraw/zinc/22/96/53/1028229653.db2.gz NBDQUXMIKOCPCM-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000428377660 1028244285 /nfs/dbraw/zinc/24/42/85/1028244285.db2.gz VCTCQGIQURJSOW-KRWDZBQOSA-N 1 2 337.467 3.525 20 0 EHADLO CC(C)CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000195099620 1028255355 /nfs/dbraw/zinc/25/53/55/1028255355.db2.gz JJTYKUBNECWCCF-UHFFFAOYSA-N 1 2 348.450 3.870 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246353449 1028272213 /nfs/dbraw/zinc/27/22/13/1028272213.db2.gz FTXGVQABSKGNIS-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246353449 1028272232 /nfs/dbraw/zinc/27/22/32/1028272232.db2.gz FTXGVQABSKGNIS-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421328335 1028272406 /nfs/dbraw/zinc/27/24/06/1028272406.db2.gz LXJAIGRNDXDVGP-INIZCTEOSA-N 1 2 325.456 3.886 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421328335 1028272420 /nfs/dbraw/zinc/27/24/20/1028272420.db2.gz LXJAIGRNDXDVGP-INIZCTEOSA-N 1 2 325.456 3.886 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1C(F)(F)F ZINC000897330222 1028280135 /nfs/dbraw/zinc/28/01/35/1028280135.db2.gz MLPOFRYVRHSABH-GFCCVEGCSA-N 1 2 348.727 3.716 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000523397610 1028284653 /nfs/dbraw/zinc/28/46/53/1028284653.db2.gz WFLMSSDVEPXWFR-UHFFFAOYSA-N 1 2 348.899 3.922 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000523398530 1028289051 /nfs/dbraw/zinc/28/90/51/1028289051.db2.gz WSNWFFVQARMHQF-UHFFFAOYSA-N 1 2 348.899 3.922 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681202 1028308115 /nfs/dbraw/zinc/30/81/15/1028308115.db2.gz WUZYFNQOPFINOU-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681202 1028308127 /nfs/dbraw/zinc/30/81/27/1028308127.db2.gz WUZYFNQOPFINOU-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)nn1C ZINC000421339496 1028308279 /nfs/dbraw/zinc/30/82/79/1028308279.db2.gz GPASLYLSUOSEFX-ZDUSSCGKSA-N 1 2 332.879 3.833 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c[nH+]1 ZINC000455534744 1028311843 /nfs/dbraw/zinc/31/18/43/1028311843.db2.gz AEQSOIVIJVKLEW-CWTRNNRKSA-N 1 2 341.430 3.960 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)c(C)[nH+]1 ZINC000455536422 1028314711 /nfs/dbraw/zinc/31/47/11/1028314711.db2.gz VZMJHZRPTJTWPM-PXAZEXFGSA-N 1 2 329.375 3.790 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000548780117 1028340918 /nfs/dbraw/zinc/34/09/18/1028340918.db2.gz ZZDLTQPOVDYKQO-IBGZPJMESA-N 1 2 341.459 3.761 20 0 EHADLO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000067657398 1028372458 /nfs/dbraw/zinc/37/24/58/1028372458.db2.gz BSAVLDMVAGIFHM-QFBILLFUSA-N 1 2 340.492 3.654 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000582968364 1028390143 /nfs/dbraw/zinc/39/01/43/1028390143.db2.gz PLVWFERFVMIXHH-BYMGSQJHSA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000582968364 1028390156 /nfs/dbraw/zinc/39/01/56/1028390156.db2.gz PLVWFERFVMIXHH-BYMGSQJHSA-N 1 2 345.430 3.950 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c[nH+]1 ZINC000455551542 1028399354 /nfs/dbraw/zinc/39/93/54/1028399354.db2.gz FUVZZMVWGAIGHN-IEBWSBKVSA-N 1 2 337.467 3.861 20 0 EHADLO C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000523536931 1028405428 /nfs/dbraw/zinc/40/54/28/1028405428.db2.gz UURYAIUFUFIAQH-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000455552022 1028412452 /nfs/dbraw/zinc/41/24/52/1028412452.db2.gz GNLTVUCFJSJPMG-LJQANCHMSA-N 1 2 337.467 3.863 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079025507 1028417637 /nfs/dbraw/zinc/41/76/37/1028417637.db2.gz IILPKZAMSKEHJN-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000069065934 1028418143 /nfs/dbraw/zinc/41/81/43/1028418143.db2.gz NKLNRBBFYDKEOY-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000069065934 1028418156 /nfs/dbraw/zinc/41/81/56/1028418156.db2.gz NKLNRBBFYDKEOY-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H](C)O1 ZINC000421438762 1028420192 /nfs/dbraw/zinc/42/01/92/1028420192.db2.gz VMGLGQOZJHIHGY-VYIWNADRSA-N 1 2 342.483 3.671 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079026337 1028420855 /nfs/dbraw/zinc/42/08/55/1028420855.db2.gz FTMVDDKIZJJOCQ-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO CCOC(=O)c1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)o1 ZINC000611182361 1028426136 /nfs/dbraw/zinc/42/61/36/1028426136.db2.gz MSZXSDAESRJKFM-UHFFFAOYSA-N 1 2 331.416 3.527 20 0 EHADLO Cc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000421463570 1028438098 /nfs/dbraw/zinc/43/80/98/1028438098.db2.gz WFPNKQHDQABBIC-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3)CC2)n1 ZINC000121716134 1028446590 /nfs/dbraw/zinc/44/65/90/1028446590.db2.gz SZSHIJXVBDMUNM-HNNXBMFYSA-N 1 2 346.500 3.596 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3)CC2)n1 ZINC000121716134 1028446594 /nfs/dbraw/zinc/44/65/94/1028446594.db2.gz SZSHIJXVBDMUNM-HNNXBMFYSA-N 1 2 346.500 3.596 20 0 EHADLO COc1ccc(Cl)cc1CN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455562896 1028453075 /nfs/dbraw/zinc/45/30/75/1028453075.db2.gz SXVVRYNUUKTBST-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC000074156227 1028454112 /nfs/dbraw/zinc/45/41/12/1028454112.db2.gz NUVXUNICEXAQDI-OAHLLOKOSA-N 1 2 325.456 3.502 20 0 EHADLO O[C@]1(C2CC2)CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000664351589 1028459941 /nfs/dbraw/zinc/45/99/41/1028459941.db2.gz PDUXJFFEEPKHCQ-QGZVFWFLSA-N 1 2 336.357 3.995 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1cccs1 ZINC000070754242 1028461014 /nfs/dbraw/zinc/46/10/14/1028461014.db2.gz CPIYGEFYTTWRMC-KDOFPFPSSA-N 1 2 340.448 3.725 20 0 EHADLO CO[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(Cl)c1 ZINC000455561574 1028461412 /nfs/dbraw/zinc/46/14/12/1028461412.db2.gz QTXJEEDMTMWDJB-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@H](C)O1 ZINC000523610171 1028465654 /nfs/dbraw/zinc/46/56/54/1028465654.db2.gz CXUYHHXSBVBNPV-WMZOPIPTSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@H](C)O1 ZINC000523610171 1028465665 /nfs/dbraw/zinc/46/56/65/1028465665.db2.gz CXUYHHXSBVBNPV-WMZOPIPTSA-N 1 2 340.467 3.692 20 0 EHADLO CC(C)c1ccc(CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000193826749 1028469886 /nfs/dbraw/zinc/46/98/86/1028469886.db2.gz NEFQZYPRVXHFIJ-UHFFFAOYSA-N 1 2 339.483 3.947 20 0 EHADLO CC(C)c1ccc(CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000193826749 1028469903 /nfs/dbraw/zinc/46/99/03/1028469903.db2.gz NEFQZYPRVXHFIJ-UHFFFAOYSA-N 1 2 339.483 3.947 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)cc(=O)oc2c1C ZINC000193853516 1028470983 /nfs/dbraw/zinc/47/09/83/1028470983.db2.gz PLJJHLQHWSRBRU-HNNXBMFYSA-N 1 2 337.423 3.513 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)cc(=O)oc2c1C ZINC000193853516 1028470995 /nfs/dbraw/zinc/47/09/95/1028470995.db2.gz PLJJHLQHWSRBRU-HNNXBMFYSA-N 1 2 337.423 3.513 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000455555906 1028471330 /nfs/dbraw/zinc/47/13/30/1028471330.db2.gz JORBHPKWNNEWAJ-QGZVFWFLSA-N 1 2 341.430 3.612 20 0 EHADLO C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523649833 1028500734 /nfs/dbraw/zinc/50/07/34/1028500734.db2.gz QVKNZUWICKIEEE-UKRRQHHQSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c[nH+]1 ZINC000455567163 1028514059 /nfs/dbraw/zinc/51/40/59/1028514059.db2.gz YRBFXOZPHZZNQL-RDJZCZTQSA-N 1 2 341.430 3.925 20 0 EHADLO Cc1ccc(OCCCC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)c1 ZINC000421573357 1028566736 /nfs/dbraw/zinc/56/67/36/1028566736.db2.gz AHWWYNMONFVPAS-UHFFFAOYSA-N 1 2 326.440 3.791 20 0 EHADLO COc1ccccc1C[C@@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421577468 1028573356 /nfs/dbraw/zinc/57/33/56/1028573356.db2.gz OZVCKSNHMNDNKX-CQSZACIVSA-N 1 2 326.440 3.592 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000548782837 1028573615 /nfs/dbraw/zinc/57/36/15/1028573615.db2.gz YRDRHRDIISJESZ-UHFFFAOYSA-N 1 2 327.428 3.560 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cc(C)[nH+]1 ZINC000421579630 1028574555 /nfs/dbraw/zinc/57/45/55/1028574555.db2.gz URHKQPXMZOGDCD-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc[nH+]1 ZINC000073699314 1028574592 /nfs/dbraw/zinc/57/45/92/1028574592.db2.gz YSYUKAZQHOGBEY-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(O)c1C ZINC000158357669 1028575992 /nfs/dbraw/zinc/57/59/92/1028575992.db2.gz UUJAYTIUCOAIIM-HNNXBMFYSA-N 1 2 344.480 3.590 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(O)c1C ZINC000158357811 1028577510 /nfs/dbraw/zinc/57/75/10/1028577510.db2.gz UUJAYTIUCOAIIM-OAHLLOKOSA-N 1 2 344.480 3.590 20 0 EHADLO COc1ccccc1CC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581809 1028578102 /nfs/dbraw/zinc/57/81/02/1028578102.db2.gz ZETCHIXXSGJPML-UHFFFAOYSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1nn(C[N@H+](C2CC2)C2CCC(C)CC2)c(=O)c2ccccc12 ZINC000054471963 1028580524 /nfs/dbraw/zinc/58/05/24/1028580524.db2.gz NGWXEBIKIXIBCI-UHFFFAOYSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1nn(C[N@@H+](C2CC2)C2CCC(C)CC2)c(=O)c2ccccc12 ZINC000054471963 1028580531 /nfs/dbraw/zinc/58/05/31/1028580531.db2.gz NGWXEBIKIXIBCI-UHFFFAOYSA-N 1 2 325.456 3.706 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000342998231 1028587512 /nfs/dbraw/zinc/58/75/12/1028587512.db2.gz VXYAKOZUXNJNJL-HIFRSBDPSA-N 1 2 336.505 3.637 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000342998231 1028587523 /nfs/dbraw/zinc/58/75/23/1028587523.db2.gz VXYAKOZUXNJNJL-HIFRSBDPSA-N 1 2 336.505 3.637 20 0 EHADLO Cc1nc(N[C@H]2CSCc3ccc(Br)cc32)cc[nH+]1 ZINC000664362525 1028587598 /nfs/dbraw/zinc/58/75/98/1028587598.db2.gz YEASWKQKLAHANV-ZDUSSCGKSA-N 1 2 336.258 3.948 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000342998228 1028587637 /nfs/dbraw/zinc/58/76/37/1028587637.db2.gz VXYAKOZUXNJNJL-DZGCQCFKSA-N 1 2 336.505 3.637 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000342998228 1028587642 /nfs/dbraw/zinc/58/76/42/1028587642.db2.gz VXYAKOZUXNJNJL-DZGCQCFKSA-N 1 2 336.505 3.637 20 0 EHADLO c1cn(Cc2ccc(-c3nc([C@H]4CCCCS4)no3)cc2)c[nH+]1 ZINC000545105505 1028589196 /nfs/dbraw/zinc/58/91/96/1028589196.db2.gz UKDXFXFFKURGCY-OAHLLOKOSA-N 1 2 326.425 3.940 20 0 EHADLO C[NH+](C)Cc1cc(-c2noc(-c3ccc(O)c(Cl)c3)n2)ccc1F ZINC000445228832 1028620954 /nfs/dbraw/zinc/62/09/54/1028620954.db2.gz NXPMIROSGVSTPQ-UHFFFAOYSA-N 1 2 347.777 3.963 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000472278154 1028655916 /nfs/dbraw/zinc/65/59/16/1028655916.db2.gz RIXRXVIDPVFISW-NSHDSACASA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000472278154 1028655924 /nfs/dbraw/zinc/65/59/24/1028655924.db2.gz RIXRXVIDPVFISW-NSHDSACASA-N 1 2 325.250 3.508 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)o1 ZINC000237574991 1028656454 /nfs/dbraw/zinc/65/64/54/1028656454.db2.gz FSZSLBOYKNRMQO-ZDUSSCGKSA-N 1 2 340.402 3.783 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000246750018 1028687240 /nfs/dbraw/zinc/68/72/40/1028687240.db2.gz PPOQKGYBWLRIMS-GOEBONIOSA-N 1 2 346.500 3.960 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000246750018 1028687250 /nfs/dbraw/zinc/68/72/50/1028687250.db2.gz PPOQKGYBWLRIMS-GOEBONIOSA-N 1 2 346.500 3.960 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245462328 1028714235 /nfs/dbraw/zinc/71/42/35/1028714235.db2.gz GIVWLGIJXZYMJR-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245462328 1028714253 /nfs/dbraw/zinc/71/42/53/1028714253.db2.gz GIVWLGIJXZYMJR-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)cc1 ZINC000523936763 1028725138 /nfs/dbraw/zinc/72/51/38/1028725138.db2.gz INFGJMMJMVWFFU-RBUKOAKNSA-N 1 2 329.444 3.678 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCC1CCCCCC1 ZINC000454310669 1028752089 /nfs/dbraw/zinc/75/20/89/1028752089.db2.gz GKEFPQJXFFSKIB-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCSc3c(F)cccc32)c[nH+]1 ZINC000454339018 1028767303 /nfs/dbraw/zinc/76/73/03/1028767303.db2.gz OJCSYLDYAFYSPM-MRXNPFEDSA-N 1 2 345.443 3.874 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)[nH+]c12 ZINC000524012224 1028778524 /nfs/dbraw/zinc/77/85/24/1028778524.db2.gz MCBNBAMTQMATQX-SJORKVTESA-N 1 2 327.472 3.906 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000583087400 1028780440 /nfs/dbraw/zinc/78/04/40/1028780440.db2.gz UEXIFARPYUBBKK-KBXCAEBGSA-N 1 2 327.403 3.726 20 0 EHADLO CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000454330286 1028783294 /nfs/dbraw/zinc/78/32/94/1028783294.db2.gz INSSPRAHQQVERK-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247665258 1028810783 /nfs/dbraw/zinc/81/07/83/1028810783.db2.gz QITWRIQDFIVULH-WDSOQIARSA-N 1 2 325.456 3.732 20 0 EHADLO Cc1cc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc(C)c1O ZINC000445466251 1028811733 /nfs/dbraw/zinc/81/17/33/1028811733.db2.gz YBFNKKPRQXWFOR-UHFFFAOYSA-N 1 2 346.390 3.971 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCCC3)C(C)C)c(F)c1 ZINC000421812988 1028829734 /nfs/dbraw/zinc/82/97/34/1028829734.db2.gz FCHAKUJCCPUTPI-IBGZPJMESA-N 1 2 346.450 3.639 20 0 EHADLO CC(C)n1cncc1C[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000424142162 1028830529 /nfs/dbraw/zinc/83/05/29/1028830529.db2.gz HZOLHMTZSFILJG-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO COc1cc(F)c(Br)cc1NCc1c[nH+]cn1C(C)C ZINC000424163679 1028862598 /nfs/dbraw/zinc/86/25/98/1028862598.db2.gz AOPRBDHJMPPDPQ-UHFFFAOYSA-N 1 2 342.212 3.986 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000445495365 1028871817 /nfs/dbraw/zinc/87/18/17/1028871817.db2.gz UFCVZZCJAAKDEI-JKSUJKDBSA-N 1 2 330.255 3.936 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000445495365 1028871831 /nfs/dbraw/zinc/87/18/31/1028871831.db2.gz UFCVZZCJAAKDEI-JKSUJKDBSA-N 1 2 330.255 3.936 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475630731 1028914271 /nfs/dbraw/zinc/91/42/71/1028914271.db2.gz ISVWAMGHPIGXHV-XJKSGUPXSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475630731 1028914291 /nfs/dbraw/zinc/91/42/91/1028914291.db2.gz ISVWAMGHPIGXHV-XJKSGUPXSA-N 1 2 330.255 3.763 20 0 EHADLO CCCc1ccc(C(=O)CCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421919445 1028938576 /nfs/dbraw/zinc/93/85/76/1028938576.db2.gz MORUMMRKOJWFTF-UHFFFAOYSA-N 1 2 338.451 3.930 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475631842 1028942077 /nfs/dbraw/zinc/94/20/77/1028942077.db2.gz PDTBOQOJEMLGCK-ZBFHGGJFSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475631842 1028942086 /nfs/dbraw/zinc/94/20/86/1028942086.db2.gz PDTBOQOJEMLGCK-ZBFHGGJFSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000245658073 1028980246 /nfs/dbraw/zinc/98/02/46/1028980246.db2.gz MBSGUNPPFZTAAF-HIFRSBDPSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000245658073 1028980261 /nfs/dbraw/zinc/98/02/61/1028980261.db2.gz MBSGUNPPFZTAAF-HIFRSBDPSA-N 1 2 337.533 3.826 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000347376914 1029023627 /nfs/dbraw/zinc/02/36/27/1029023627.db2.gz VMQBRLUWZGZFNC-HNAYVOBHSA-N 1 2 347.480 3.988 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000347376914 1029023642 /nfs/dbraw/zinc/02/36/42/1029023642.db2.gz VMQBRLUWZGZFNC-HNAYVOBHSA-N 1 2 347.480 3.988 20 0 EHADLO CC[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000503088948 1029042458 /nfs/dbraw/zinc/04/24/58/1029042458.db2.gz WHFZQBKUXGNAIR-ZMSDIMECSA-N 1 2 346.496 3.875 20 0 EHADLO CC[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000503088948 1029042479 /nfs/dbraw/zinc/04/24/79/1029042479.db2.gz WHFZQBKUXGNAIR-ZMSDIMECSA-N 1 2 346.496 3.875 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC001126755553 1029050132 /nfs/dbraw/zinc/05/01/32/1029050132.db2.gz CCQOAEVTIKTGFM-XHDPSFHLSA-N 1 2 349.425 3.954 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](C)Oc2cccc(Cl)c2)c[nH+]1 ZINC000454573380 1029050940 /nfs/dbraw/zinc/05/09/40/1029050940.db2.gz GPAZCHVFGVMQMF-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO CO[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000454556165 1029063228 /nfs/dbraw/zinc/06/32/28/1029063228.db2.gz AFNZQZKGCGOOST-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO CCc1oc2ccccc2c1C[NH2+]Cc1nn(C)cc1Br ZINC000393327991 1029064849 /nfs/dbraw/zinc/06/48/49/1029064849.db2.gz WJGJCNVTJPYABV-UHFFFAOYSA-N 1 2 348.244 3.781 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 ZINC000076993675 1029069619 /nfs/dbraw/zinc/06/96/19/1029069619.db2.gz RTZSTAFNYSXLEF-CYBMUJFWSA-N 1 2 344.465 3.508 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000664391133 1029089737 /nfs/dbraw/zinc/08/97/37/1029089737.db2.gz XMMPFXBMFOQSFQ-DOMZBBRYSA-N 1 2 336.505 3.685 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000664391133 1029089750 /nfs/dbraw/zinc/08/97/50/1029089750.db2.gz XMMPFXBMFOQSFQ-DOMZBBRYSA-N 1 2 336.505 3.685 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)[C@H](C)C2 ZINC000666789638 1029120029 /nfs/dbraw/zinc/12/00/29/1029120029.db2.gz OOSUETVMLRTMDP-HFTRVMKXSA-N 1 2 338.455 3.541 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000284506827 1029132155 /nfs/dbraw/zinc/13/21/55/1029132155.db2.gz YCQJAPKUFRLEPL-HNNXBMFYSA-N 1 2 339.414 3.930 20 0 EHADLO O=C(NOC1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271771740 1029163056 /nfs/dbraw/zinc/16/30/56/1029163056.db2.gz DGCHWGWSMZHYQK-UHFFFAOYSA-N 1 2 338.411 3.598 20 0 EHADLO CC([NH2+]Cc1nnc2n1CCCC2)(c1ccccc1)c1ccccc1 ZINC000271779085 1029166797 /nfs/dbraw/zinc/16/67/97/1029166797.db2.gz FOBFMIFCKOWRAH-UHFFFAOYSA-N 1 2 332.451 3.668 20 0 EHADLO CSc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1F ZINC000278122139 1029168244 /nfs/dbraw/zinc/16/82/44/1029168244.db2.gz QLMGEBUMINSQJJ-TZMCWYRMSA-N 1 2 349.431 3.523 20 0 EHADLO CSc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1F ZINC000278122139 1029168250 /nfs/dbraw/zinc/16/82/50/1029168250.db2.gz QLMGEBUMINSQJJ-TZMCWYRMSA-N 1 2 349.431 3.523 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cs1 ZINC000271796142 1029174727 /nfs/dbraw/zinc/17/47/27/1029174727.db2.gz KCAREWOPUJKYFK-HOCLYGCPSA-N 1 2 343.496 3.718 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)o1 ZINC000271801631 1029177077 /nfs/dbraw/zinc/17/70/77/1029177077.db2.gz IYVCLKXPQBLLSM-KRWDZBQOSA-N 1 2 333.476 3.888 20 0 EHADLO C[C@H]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424655085 1029217404 /nfs/dbraw/zinc/21/74/04/1029217404.db2.gz AUJQCCSKGQAPKL-FUHWJXTLSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccs1 ZINC000079820919 1029219307 /nfs/dbraw/zinc/21/93/07/1029219307.db2.gz WTNQVSYSGNKFIB-LLVKDONJSA-N 1 2 331.466 3.817 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccs1 ZINC000079820919 1029219317 /nfs/dbraw/zinc/21/93/17/1029219317.db2.gz WTNQVSYSGNKFIB-LLVKDONJSA-N 1 2 331.466 3.817 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092145338 1029250742 /nfs/dbraw/zinc/25/07/42/1029250742.db2.gz LISGEWCYZMOULY-OAHLLOKOSA-N 1 2 335.411 3.678 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@@H]2C)c(C)c1 ZINC000533084528 1029262132 /nfs/dbraw/zinc/26/21/32/1029262132.db2.gz PLATTWXUWDUZGN-HKUYNNGSSA-N 1 2 340.471 3.825 20 0 EHADLO COC(=O)C[N@H+](Cc1cc(-c2ccc(C)cc2)no1)C1CCCC1 ZINC000325399532 1029264198 /nfs/dbraw/zinc/26/41/98/1029264198.db2.gz FZIZDRMZZCYVNB-UHFFFAOYSA-N 1 2 328.412 3.568 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)C1CCCC1 ZINC000325399532 1029264210 /nfs/dbraw/zinc/26/42/10/1029264210.db2.gz FZIZDRMZZCYVNB-UHFFFAOYSA-N 1 2 328.412 3.568 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c(C)c1 ZINC000533072884 1029270532 /nfs/dbraw/zinc/27/05/32/1029270532.db2.gz YWGQSYQZDZRDPW-INIZCTEOSA-N 1 2 338.451 3.703 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3C2)c(C)c1 ZINC000533072884 1029270550 /nfs/dbraw/zinc/27/05/50/1029270550.db2.gz YWGQSYQZDZRDPW-INIZCTEOSA-N 1 2 338.451 3.703 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071381 1029272012 /nfs/dbraw/zinc/27/20/12/1029272012.db2.gz ZVNQHMSHAMNZRN-CYBMUJFWSA-N 1 2 344.842 3.739 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071381 1029272025 /nfs/dbraw/zinc/27/20/25/1029272025.db2.gz ZVNQHMSHAMNZRN-CYBMUJFWSA-N 1 2 344.842 3.739 20 0 EHADLO COc1ccccc1SCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000343116281 1029280274 /nfs/dbraw/zinc/28/02/74/1029280274.db2.gz GTRGBLILGWEVGY-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000272038756 1029283839 /nfs/dbraw/zinc/28/38/39/1029283839.db2.gz AFTULCIOBHORMS-KSZLIROESA-N 1 2 330.497 3.609 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000272159407 1029336753 /nfs/dbraw/zinc/33/67/53/1029336753.db2.gz AIBJFUNWHHKJSQ-UHFFFAOYSA-N 1 2 344.484 3.715 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000254952338 1029345179 /nfs/dbraw/zinc/34/51/79/1029345179.db2.gz ZABOYEBJDUCGAX-UKRRQHHQSA-N 1 2 332.469 3.870 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000254952338 1029345192 /nfs/dbraw/zinc/34/51/92/1029345192.db2.gz ZABOYEBJDUCGAX-UKRRQHHQSA-N 1 2 332.469 3.870 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000454838775 1029369181 /nfs/dbraw/zinc/36/91/81/1029369181.db2.gz YMDBRYMNUARBCH-CHWSQXEVSA-N 1 2 332.835 3.514 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000343132777 1029381060 /nfs/dbraw/zinc/38/10/60/1029381060.db2.gz QLGNDHRINGDELJ-LBPRGKRZSA-N 1 2 343.456 3.826 20 0 EHADLO CCCc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000154998494 1029400489 /nfs/dbraw/zinc/40/04/89/1029400489.db2.gz QAYDWJYQSCNBCH-KRWDZBQOSA-N 1 2 340.471 3.859 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnc(C2CC2)s1 ZINC000524653522 1029411996 /nfs/dbraw/zinc/41/19/96/1029411996.db2.gz XGYBARLDZITBEG-UHFFFAOYSA-N 1 2 348.497 3.715 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(Br)n1)c1nc(C)cs1 ZINC000272450564 1029463986 /nfs/dbraw/zinc/46/39/86/1029463986.db2.gz VZKZXCJGMCPJHJ-NSHDSACASA-N 1 2 326.263 3.850 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)Cc2noc(C[N@H+](C)C(C)C)n2)cc1 ZINC000278170684 1029471169 /nfs/dbraw/zinc/47/11/69/1029471169.db2.gz WKGYKZQLIXXOSZ-AWEZNQCLSA-N 1 2 344.459 3.605 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)Cc2noc(C[N@@H+](C)C(C)C)n2)cc1 ZINC000278170684 1029471172 /nfs/dbraw/zinc/47/11/72/1029471172.db2.gz WKGYKZQLIXXOSZ-AWEZNQCLSA-N 1 2 344.459 3.605 20 0 EHADLO CCC[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C)cc1 ZINC000524754713 1029471412 /nfs/dbraw/zinc/47/14/12/1029471412.db2.gz ARNCGTHKBDGRST-UHFFFAOYSA-N 1 2 327.350 3.895 20 0 EHADLO CCC[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C)cc1 ZINC000524754713 1029471416 /nfs/dbraw/zinc/47/14/16/1029471416.db2.gz ARNCGTHKBDGRST-UHFFFAOYSA-N 1 2 327.350 3.895 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nc(N2CCCCC2)n1C1CC1 ZINC000728559228 1029487319 /nfs/dbraw/zinc/48/73/19/1029487319.db2.gz DIFTYVQHSVYYBV-MRXNPFEDSA-N 1 2 347.532 3.571 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nc(N2CCCCC2)n1C1CC1 ZINC000728559228 1029487329 /nfs/dbraw/zinc/48/73/29/1029487329.db2.gz DIFTYVQHSVYYBV-MRXNPFEDSA-N 1 2 347.532 3.571 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125333273 1029493028 /nfs/dbraw/zinc/49/30/28/1029493028.db2.gz RMTLVHMRZHBWQT-YSIASYRMSA-N 1 2 339.483 3.808 20 0 EHADLO CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCc2ccccc21 ZINC000272515279 1029493723 /nfs/dbraw/zinc/49/37/23/1029493723.db2.gz YUQKBLOXHLPUJF-HXUWFJFHSA-N 1 2 346.434 3.807 20 0 EHADLO Cn1ccnc1C[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000272528133 1029497520 /nfs/dbraw/zinc/49/75/20/1029497520.db2.gz QNTJDIDLRBYYDM-UHFFFAOYSA-N 1 2 346.887 3.846 20 0 EHADLO Cn1ccnc1C[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000272528133 1029497527 /nfs/dbraw/zinc/49/75/27/1029497527.db2.gz QNTJDIDLRBYYDM-UHFFFAOYSA-N 1 2 346.887 3.846 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2nncn2-c2ccccc2)c1 ZINC000278176514 1029518347 /nfs/dbraw/zinc/51/83/47/1029518347.db2.gz QMKMDMZUHUVINI-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2nncn2-c2ccccc2)c1 ZINC000278176514 1029518353 /nfs/dbraw/zinc/51/83/53/1029518353.db2.gz QMKMDMZUHUVINI-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1c2cccc(C)c2oc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272618574 1029536336 /nfs/dbraw/zinc/53/63/36/1029536336.db2.gz ILOMQYQZAKFZMQ-HNNXBMFYSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1c2cccc(C)c2oc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272618574 1029536342 /nfs/dbraw/zinc/53/63/42/1029536342.db2.gz ILOMQYQZAKFZMQ-HNNXBMFYSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2CCCCC(F)(F)C2)c[nH+]1 ZINC000454998415 1029539211 /nfs/dbraw/zinc/53/92/11/1029539211.db2.gz WBBOJJUZTMXYHT-AWEZNQCLSA-N 1 2 325.403 3.713 20 0 EHADLO Nc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)s1 ZINC000261968586 1029542064 /nfs/dbraw/zinc/54/20/64/1029542064.db2.gz HZGXHLXXCAORIH-SECBINFHSA-N 1 2 344.303 3.886 20 0 EHADLO Nc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)s1 ZINC000261968586 1029542070 /nfs/dbraw/zinc/54/20/70/1029542070.db2.gz HZGXHLXXCAORIH-SECBINFHSA-N 1 2 344.303 3.886 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000125543100 1029545088 /nfs/dbraw/zinc/54/50/88/1029545088.db2.gz TZAYMZXOKHFKPU-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000125543100 1029545097 /nfs/dbraw/zinc/54/50/97/1029545097.db2.gz TZAYMZXOKHFKPU-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO C[N@H+](Cc1cnc(N)s1)Cc1cc(Br)ccc1Cl ZINC000261998219 1029547929 /nfs/dbraw/zinc/54/79/29/1029547929.db2.gz LBFTYSPRUNKUHW-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(N)s1)Cc1cc(Br)ccc1Cl ZINC000261998219 1029547941 /nfs/dbraw/zinc/54/79/41/1029547941.db2.gz LBFTYSPRUNKUHW-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO CC[C@@H]1C[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272674758 1029560696 /nfs/dbraw/zinc/56/06/96/1029560696.db2.gz AKMRXVBKZNKQAX-UKRRQHHQSA-N 1 2 331.391 3.545 20 0 EHADLO CCCOCc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054038019 1029568538 /nfs/dbraw/zinc/56/85/38/1029568538.db2.gz IOACSSTXWXTLMS-UHFFFAOYSA-N 1 2 349.434 3.729 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000533321306 1029612076 /nfs/dbraw/zinc/61/20/76/1029612076.db2.gz FTQJJHDXWMZOAD-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000533321306 1029612080 /nfs/dbraw/zinc/61/20/80/1029612080.db2.gz FTQJJHDXWMZOAD-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@H](COC)C1 ZINC000524945506 1029630137 /nfs/dbraw/zinc/63/01/37/1029630137.db2.gz YZRLUBAWACXNBH-HNNXBMFYSA-N 1 2 342.439 3.501 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343177300 1029639877 /nfs/dbraw/zinc/63/98/77/1029639877.db2.gz RIUOQOGMVLGQPD-CTNGQTDRSA-N 1 2 345.446 3.546 20 0 EHADLO Cc1cccc2c(CC(=O)NCc3ccccc3-n3cc[nH+]c3)c[nH]c21 ZINC000155928506 1029699657 /nfs/dbraw/zinc/69/96/57/1029699657.db2.gz PZHSPRYVTQNUBD-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000583397136 1029761561 /nfs/dbraw/zinc/76/15/61/1029761561.db2.gz ILXHZJKLZPOBGQ-YLJYHZDGSA-N 1 2 339.483 3.876 20 0 EHADLO Cc1c(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cccc1C(F)(F)F ZINC001211579374 1029774113 /nfs/dbraw/zinc/77/41/13/1029774113.db2.gz BZLPHSPPFXNDJF-LLVKDONJSA-N 1 2 347.287 3.776 20 0 EHADLO CCOc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1Cl ZINC001211580151 1029802753 /nfs/dbraw/zinc/80/27/53/1029802753.db2.gz NYBRTCPTEXLDAO-JTQLQIEISA-N 1 2 343.761 3.501 20 0 EHADLO CCO[C@@H]1C[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC000583424433 1029805966 /nfs/dbraw/zinc/80/59/66/1029805966.db2.gz SQSNNIYSUNMILL-JKSUJKDBSA-N 1 2 331.460 3.818 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001211580181 1029815138 /nfs/dbraw/zinc/81/51/38/1029815138.db2.gz OUPSLPROJWMQSH-HNNXBMFYSA-N 1 2 342.349 3.511 20 0 EHADLO Cc1cnc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cn1 ZINC000428455676 1029820331 /nfs/dbraw/zinc/82/03/31/1029820331.db2.gz TWFCTBVEOBEMKD-HZPDHXFCSA-N 1 2 344.890 3.878 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3cccc(O)c3)CC2)o1 ZINC000536020012 1029822850 /nfs/dbraw/zinc/82/28/50/1029822850.db2.gz DNKUWPPTZLBNRE-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000525460107 1029856868 /nfs/dbraw/zinc/85/68/68/1029856868.db2.gz LMBNXSPNNGKHQD-CABCVRRESA-N 1 2 342.439 3.724 20 0 EHADLO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815589 1029862048 /nfs/dbraw/zinc/86/20/48/1029862048.db2.gz QAVBWNOJXHPLPC-MSOLQXFVSA-N 1 2 347.528 3.544 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000446955027 1029864501 /nfs/dbraw/zinc/86/45/01/1029864501.db2.gz WHPBWJPYLOZIHY-ZIAGYGMSSA-N 1 2 336.505 3.639 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000446955027 1029864507 /nfs/dbraw/zinc/86/45/07/1029864507.db2.gz WHPBWJPYLOZIHY-ZIAGYGMSSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3ncc(-c4ccccc4C)o3)CC2)c1 ZINC000533817669 1029865051 /nfs/dbraw/zinc/86/50/51/1029865051.db2.gz QOCKCNBZYXELFC-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO O=C(Nc1ccc2[nH]ccc2c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533811604 1029870044 /nfs/dbraw/zinc/87/00/44/1029870044.db2.gz UUEFXSWKKXNTPK-UHFFFAOYSA-N 1 2 340.452 3.579 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1O ZINC000428462317 1029874237 /nfs/dbraw/zinc/87/42/37/1029874237.db2.gz KNVNMKBGVYSPRI-RNCFNFMXSA-N 1 2 341.295 3.927 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1O ZINC000428462317 1029874246 /nfs/dbraw/zinc/87/42/46/1029874246.db2.gz KNVNMKBGVYSPRI-RNCFNFMXSA-N 1 2 341.295 3.927 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cnc21 ZINC000447067499 1029902133 /nfs/dbraw/zinc/90/21/33/1029902133.db2.gz KVCMYRFFKRATBC-UHFFFAOYSA-N 1 2 340.475 3.665 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cnc21 ZINC000447067499 1029902145 /nfs/dbraw/zinc/90/21/45/1029902145.db2.gz KVCMYRFFKRATBC-UHFFFAOYSA-N 1 2 340.475 3.665 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C2(OC)CCCCC2)no1)c1ccccc1 ZINC000453225719 1029946499 /nfs/dbraw/zinc/94/64/99/1029946499.db2.gz BLYQFVSGLJYSNM-INIZCTEOSA-N 1 2 329.444 3.917 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C2(OC)CCCCC2)no1)c1ccccc1 ZINC000453225719 1029946516 /nfs/dbraw/zinc/94/65/16/1029946516.db2.gz BLYQFVSGLJYSNM-INIZCTEOSA-N 1 2 329.444 3.917 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)ccn12 ZINC000583509368 1029993292 /nfs/dbraw/zinc/99/32/92/1029993292.db2.gz LSFVKDDRICYGMP-CRAIPNDOSA-N 1 2 337.398 3.848 20 0 EHADLO CO[C@H](Cc1ccccc1)c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000453242487 1030010205 /nfs/dbraw/zinc/01/02/05/1030010205.db2.gz CBJMRAPDPCGYIJ-MSOLQXFVSA-N 1 2 337.423 3.651 20 0 EHADLO Cc1ncc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)n1-c1ccccc1 ZINC000537628723 1030039971 /nfs/dbraw/zinc/03/99/71/1030039971.db2.gz UQNNLPGWYHGIDV-JOCHJYFZSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1ncc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)n1-c1ccccc1 ZINC000537628723 1030039982 /nfs/dbraw/zinc/03/99/82/1030039982.db2.gz UQNNLPGWYHGIDV-JOCHJYFZSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1cc(C)c(S(C)(=O)=O)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213088953 1030044979 /nfs/dbraw/zinc/04/49/79/1030044979.db2.gz MGYQKQCIDRAZDG-UHFFFAOYSA-N 1 2 341.436 3.841 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000090004341 1030056362 /nfs/dbraw/zinc/05/63/62/1030056362.db2.gz UQFVKTUKGBJOPX-CQSZACIVSA-N 1 2 332.517 3.629 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000090004341 1030056382 /nfs/dbraw/zinc/05/63/82/1030056382.db2.gz UQFVKTUKGBJOPX-CQSZACIVSA-N 1 2 332.517 3.629 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631351 1030089932 /nfs/dbraw/zinc/08/99/32/1030089932.db2.gz LNCDPHFGIDXMDV-KGLIPLIRSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631351 1030089951 /nfs/dbraw/zinc/08/99/51/1030089951.db2.gz LNCDPHFGIDXMDV-KGLIPLIRSA-N 1 2 342.386 3.698 20 0 EHADLO O=C(C[N@@H+]1CCCc2sccc2C1)Nc1nc2ccccc2s1 ZINC000600646188 1030102494 /nfs/dbraw/zinc/10/24/94/1030102494.db2.gz ZLYJZOUYZLDAPK-UHFFFAOYSA-N 1 2 343.477 3.745 20 0 EHADLO O=C(C[N@H+]1CCCc2sccc2C1)Nc1nc2ccccc2s1 ZINC000600646188 1030102502 /nfs/dbraw/zinc/10/25/02/1030102502.db2.gz ZLYJZOUYZLDAPK-UHFFFAOYSA-N 1 2 343.477 3.745 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120847982 1030122737 /nfs/dbraw/zinc/12/27/37/1030122737.db2.gz QETNUNBXGMUTFC-HXUWFJFHSA-N 1 2 338.451 3.783 20 0 EHADLO Cc1ccc(-c2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)n[nH]2)cc1 ZINC000343288093 1030123723 /nfs/dbraw/zinc/12/37/23/1030123723.db2.gz UEWYPMNIJNYPQM-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO C[C@H](C(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000472293671 1030139556 /nfs/dbraw/zinc/13/95/56/1030139556.db2.gz FTUOCRMJTSHMQP-NSHDSACASA-N 1 2 338.238 3.720 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2cc(F)ccc2Cl)CC1)C(F)(F)F ZINC000525833254 1030157870 /nfs/dbraw/zinc/15/78/70/1030157870.db2.gz UMXRPKONWIZEGC-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CSc1ccc2c(c1)OCCO2 ZINC000525832462 1030178247 /nfs/dbraw/zinc/17/82/47/1030178247.db2.gz CGKDVIPUMUSNPP-UHFFFAOYSA-N 1 2 338.432 3.995 20 0 EHADLO CN(CC1CC1)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447387750 1030178383 /nfs/dbraw/zinc/17/83/83/1030178383.db2.gz UTUGCSYHOGFMPS-UHFFFAOYSA-N 1 2 341.282 3.831 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000525855727 1030189992 /nfs/dbraw/zinc/18/99/92/1030189992.db2.gz ZVFQSWNYKSCIRN-ZDUSSCGKSA-N 1 2 346.397 3.550 20 0 EHADLO CCc1ncc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)o1 ZINC000453389008 1030194078 /nfs/dbraw/zinc/19/40/78/1030194078.db2.gz PJZDTEJGWOYGLR-ZDUSSCGKSA-N 1 2 339.208 3.916 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000453397962 1030206483 /nfs/dbraw/zinc/20/64/83/1030206483.db2.gz IRSYXEZUBHSJRS-LIRRHRJNSA-N 1 2 325.412 3.945 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161577 1030232019 /nfs/dbraw/zinc/23/20/19/1030232019.db2.gz MHIFLOYUFOZFQK-IRXDYDNUSA-N 1 2 336.838 3.697 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161577 1030232032 /nfs/dbraw/zinc/23/20/32/1030232032.db2.gz MHIFLOYUFOZFQK-IRXDYDNUSA-N 1 2 336.838 3.697 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000121378842 1030245518 /nfs/dbraw/zinc/24/55/18/1030245518.db2.gz XKAZLWXVQHITTL-LJQANCHMSA-N 1 2 339.483 3.905 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)c1C ZINC000121458113 1030271258 /nfs/dbraw/zinc/27/12/58/1030271258.db2.gz IXQVKLKWMBAADR-INIZCTEOSA-N 1 2 343.496 3.514 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000525990337 1030311497 /nfs/dbraw/zinc/31/14/97/1030311497.db2.gz PZSRLKXNLIDOBY-AWEZNQCLSA-N 1 2 340.471 3.651 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000525990337 1030311510 /nfs/dbraw/zinc/31/15/10/1030311510.db2.gz PZSRLKXNLIDOBY-AWEZNQCLSA-N 1 2 340.471 3.651 20 0 EHADLO COC[C@@H]([NH2+]Cc1sc(C)cc1Br)c1ccco1 ZINC000453563100 1030329788 /nfs/dbraw/zinc/32/97/88/1030329788.db2.gz DDXLZDHHWBGSBR-LLVKDONJSA-N 1 2 330.247 3.889 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457680 1030372573 /nfs/dbraw/zinc/37/25/73/1030372573.db2.gz FIRRJOGWIRTACY-GXFFZTMASA-N 1 2 342.386 3.986 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457680 1030372588 /nfs/dbraw/zinc/37/25/88/1030372588.db2.gz FIRRJOGWIRTACY-GXFFZTMASA-N 1 2 342.386 3.986 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000429722814 1030379740 /nfs/dbraw/zinc/37/97/40/1030379740.db2.gz TWPMUAYELOBMPD-GOSISDBHSA-N 1 2 337.423 3.586 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000429725969 1030383113 /nfs/dbraw/zinc/38/31/13/1030383113.db2.gz ZPNNSLQEBRCSDN-GOSISDBHSA-N 1 2 337.423 3.586 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000532094764 1030390640 /nfs/dbraw/zinc/39/06/40/1030390640.db2.gz LYEOVTUFRWRYOP-QFBILLFUSA-N 1 2 340.471 3.799 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2ccccc2s1 ZINC000343344389 1030400263 /nfs/dbraw/zinc/40/02/63/1030400263.db2.gz DCBFBNHNDMNIIL-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc(C(=O)OC)c3)CCO2)cc1 ZINC000482445452 1030424647 /nfs/dbraw/zinc/42/46/47/1030424647.db2.gz BIWOWGSZUBBAQF-HXUWFJFHSA-N 1 2 339.435 3.609 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc(C(=O)OC)c3)CCO2)cc1 ZINC000482445452 1030424652 /nfs/dbraw/zinc/42/46/52/1030424652.db2.gz BIWOWGSZUBBAQF-HXUWFJFHSA-N 1 2 339.435 3.609 20 0 EHADLO C[C@@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCCO1 ZINC000583678112 1030435581 /nfs/dbraw/zinc/43/55/81/1030435581.db2.gz UWKLDUKNYLLRRD-FQEVSTJZSA-N 1 2 339.439 3.784 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1sccc1C ZINC000532152887 1030438047 /nfs/dbraw/zinc/43/80/47/1030438047.db2.gz CFFHGGUVAZCZEM-CQSZACIVSA-N 1 2 334.510 3.744 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1sccc1C ZINC000532152887 1030438055 /nfs/dbraw/zinc/43/80/55/1030438055.db2.gz CFFHGGUVAZCZEM-CQSZACIVSA-N 1 2 334.510 3.744 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000129410103 1030449609 /nfs/dbraw/zinc/44/96/09/1030449609.db2.gz DASBWVYIOOTNMF-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(Cl)cc1F ZINC000343350417 1030450326 /nfs/dbraw/zinc/45/03/26/1030450326.db2.gz CBZOVAJUPDUSHE-UHFFFAOYSA-N 1 2 344.777 3.680 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)c1 ZINC000121982727 1030460981 /nfs/dbraw/zinc/46/09/81/1030460981.db2.gz OXDKDGGRCPCEII-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cc1ccc(CCCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343358792 1030479076 /nfs/dbraw/zinc/47/90/76/1030479076.db2.gz HGOOWLOWUXFUBZ-UHFFFAOYSA-N 1 2 348.450 3.986 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cc2c(s1)CCC2 ZINC000532224330 1030490685 /nfs/dbraw/zinc/49/06/85/1030490685.db2.gz KHZGTMLEEHTJFT-MRVPVSSYSA-N 1 2 326.263 3.573 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593816 1030490976 /nfs/dbraw/zinc/49/09/76/1030490976.db2.gz VBPKNQDTNVQKBH-ZDUSSCGKSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593816 1030490983 /nfs/dbraw/zinc/49/09/83/1030490983.db2.gz VBPKNQDTNVQKBH-ZDUSSCGKSA-N 1 2 331.466 3.773 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823939 1030501816 /nfs/dbraw/zinc/50/18/16/1030501816.db2.gz WZEZXSTZEFFFHV-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823939 1030501830 /nfs/dbraw/zinc/50/18/30/1030501830.db2.gz WZEZXSTZEFFFHV-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CCO2)n1 ZINC000092831668 1030528294 /nfs/dbraw/zinc/52/82/94/1030528294.db2.gz FSURTCYINJBBFK-GOSISDBHSA-N 1 2 337.448 3.779 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CCO2)n1 ZINC000092831668 1030528302 /nfs/dbraw/zinc/52/83/02/1030528302.db2.gz FSURTCYINJBBFK-GOSISDBHSA-N 1 2 337.448 3.779 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(=Cc3ccccc3F)CC2)n1 ZINC000447856032 1030548377 /nfs/dbraw/zinc/54/83/77/1030548377.db2.gz XGXAYRKYJSNPDX-CQSZACIVSA-N 1 2 327.403 3.870 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1CCCC[C@H]1C)C2 ZINC000526997347 1030559948 /nfs/dbraw/zinc/55/99/48/1030559948.db2.gz WWMZCYIOUCBDTJ-BZUAXINKSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1CCCC[C@H]1C)CC2 ZINC000526997347 1030559954 /nfs/dbraw/zinc/55/99/54/1030559954.db2.gz WWMZCYIOUCBDTJ-BZUAXINKSA-N 1 2 331.504 3.971 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000066438068 1030576267 /nfs/dbraw/zinc/57/62/67/1030576267.db2.gz OTPOPVJDEWWUJL-LBPRGKRZSA-N 1 2 342.361 3.836 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000066438068 1030576280 /nfs/dbraw/zinc/57/62/80/1030576280.db2.gz OTPOPVJDEWWUJL-LBPRGKRZSA-N 1 2 342.361 3.836 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093236609 1030576477 /nfs/dbraw/zinc/57/64/77/1030576477.db2.gz UQGYCOYXNWSLLB-WMLDXEAASA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093236609 1030576490 /nfs/dbraw/zinc/57/64/90/1030576490.db2.gz UQGYCOYXNWSLLB-WMLDXEAASA-N 1 2 343.496 3.672 20 0 EHADLO c1coc(-c2nc(C[NH2+]Cc3ccnn3-c3ccccc3)cs2)c1 ZINC000447896633 1030577148 /nfs/dbraw/zinc/57/71/48/1030577148.db2.gz IPSLHVXMXDJDBK-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343377211 1030584036 /nfs/dbraw/zinc/58/40/36/1030584036.db2.gz SZMKXZVLTBIGRI-UHFFFAOYSA-N 1 2 345.406 3.677 20 0 EHADLO COCCOc1cccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000093335984 1030588971 /nfs/dbraw/zinc/58/89/71/1030588971.db2.gz ODYCLBVBEQQWMS-UHFFFAOYSA-N 1 2 346.496 3.679 20 0 EHADLO COCCOc1cccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000093335984 1030588994 /nfs/dbraw/zinc/58/89/94/1030588994.db2.gz ODYCLBVBEQQWMS-UHFFFAOYSA-N 1 2 346.496 3.679 20 0 EHADLO CC(C)c1ncc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)s1 ZINC000093413144 1030609750 /nfs/dbraw/zinc/60/97/50/1030609750.db2.gz AFBQVGSXFMWXIX-HNNXBMFYSA-N 1 2 330.501 3.540 20 0 EHADLO CC(C)c1ncc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)s1 ZINC000093413144 1030609755 /nfs/dbraw/zinc/60/97/55/1030609755.db2.gz AFBQVGSXFMWXIX-HNNXBMFYSA-N 1 2 330.501 3.540 20 0 EHADLO CSc1ccc(C)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000343381703 1030612409 /nfs/dbraw/zinc/61/24/09/1030612409.db2.gz OHBZLWDXSYFPSM-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO C[C@H](C[NH+]1CCN(C(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000527106886 1030649051 /nfs/dbraw/zinc/64/90/51/1030649051.db2.gz JXWRYHUAPJQNHM-CQSZACIVSA-N 1 2 348.899 3.963 20 0 EHADLO COc1ccc(Cl)cc1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000060868432 1030696172 /nfs/dbraw/zinc/69/61/72/1030696172.db2.gz YBAVULULDLVIKZ-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)n(-c2ccccc2)n1 ZINC000448056377 1030697630 /nfs/dbraw/zinc/69/76/30/1030697630.db2.gz MPFMXTAYPBUIFF-CQSZACIVSA-N 1 2 347.466 3.622 20 0 EHADLO O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171009351 1030710471 /nfs/dbraw/zinc/71/04/71/1030710471.db2.gz BLQPNYWIGBENOE-WOJBJXKFSA-N 1 2 347.418 3.522 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC1CC1)c1ccco1 ZINC000482853080 1030752424 /nfs/dbraw/zinc/75/24/24/1030752424.db2.gz FSKWXTXZFCWZNU-MRXNPFEDSA-N 1 2 335.831 3.935 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2cn[nH]n2)cc1 ZINC000550885725 1030761197 /nfs/dbraw/zinc/76/11/97/1030761197.db2.gz KSAXFTVVWNQBKK-FQEVSTJZSA-N 1 2 349.413 3.737 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2c[nH]nn2)cc1 ZINC000550885725 1030761214 /nfs/dbraw/zinc/76/12/14/1030761214.db2.gz KSAXFTVVWNQBKK-FQEVSTJZSA-N 1 2 349.413 3.737 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(Br)cc1 ZINC000171118376 1030762839 /nfs/dbraw/zinc/76/28/39/1030762839.db2.gz QMVCVWVIFUSEFP-JTQLQIEISA-N 1 2 348.200 3.943 20 0 EHADLO COC(=O)CCC1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000527294358 1030778212 /nfs/dbraw/zinc/77/82/12/1030778212.db2.gz YLVNKLMCQJYTEW-UHFFFAOYSA-N 1 2 342.439 3.721 20 0 EHADLO COc1cccc(C2(c3noc([C@@H]4CC[N@@H+]4C4CCCC4)n3)CC2)c1 ZINC000924068070 1030813141 /nfs/dbraw/zinc/81/31/41/1030813141.db2.gz GQUVDYPUYLZPSG-KRWDZBQOSA-N 1 2 339.439 3.848 20 0 EHADLO COc1cccc(C2(c3noc([C@@H]4CC[N@H+]4C4CCCC4)n3)CC2)c1 ZINC000924068070 1030813154 /nfs/dbraw/zinc/81/31/54/1030813154.db2.gz GQUVDYPUYLZPSG-KRWDZBQOSA-N 1 2 339.439 3.848 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)s1 ZINC000122965400 1030818167 /nfs/dbraw/zinc/81/81/67/1030818167.db2.gz ZFEPZUAGPZYUOJ-LLVKDONJSA-N 1 2 333.848 3.536 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Oc2cccnc2)cc1 ZINC000115160594 1030824265 /nfs/dbraw/zinc/82/42/65/1030824265.db2.gz JENLHVRBLAJGEJ-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO C[N@H+](Cc1csc(Br)c1)Cc1cnc2ccccn12 ZINC000157788209 1030849704 /nfs/dbraw/zinc/84/97/04/1030849704.db2.gz VPWJSMFDBJLHDQ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@@H+](Cc1csc(Br)c1)Cc1cnc2ccccn12 ZINC000157788209 1030849713 /nfs/dbraw/zinc/84/97/13/1030849713.db2.gz VPWJSMFDBJLHDQ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO O=C(Nc1ccc(-c2cnco2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343433148 1030870500 /nfs/dbraw/zinc/87/05/00/1030870500.db2.gz OUNLSRSEJMLURB-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000115600085 1030885649 /nfs/dbraw/zinc/88/56/49/1030885649.db2.gz LXCYOJNVIFWMHX-HIFRSBDPSA-N 1 2 329.469 3.552 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000527490411 1030944357 /nfs/dbraw/zinc/94/43/57/1030944357.db2.gz SUAXPTKTEVPVKD-CQSZACIVSA-N 1 2 341.455 3.558 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000527490411 1030944368 /nfs/dbraw/zinc/94/43/68/1030944368.db2.gz SUAXPTKTEVPVKD-CQSZACIVSA-N 1 2 341.455 3.558 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)on1 ZINC000483099309 1030954383 /nfs/dbraw/zinc/95/43/83/1030954383.db2.gz LUIBNTAKVXXVSV-CQSZACIVSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)on1 ZINC000483099309 1030954391 /nfs/dbraw/zinc/95/43/91/1030954391.db2.gz LUIBNTAKVXXVSV-CQSZACIVSA-N 1 2 345.418 3.539 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3cccc(F)c3F)o1)C2 ZINC000563807224 1031034681 /nfs/dbraw/zinc/03/46/81/1031034681.db2.gz JSKJJBABJPXITN-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3cccc(F)c3F)o1)C2 ZINC000563807224 1031034684 /nfs/dbraw/zinc/03/46/84/1031034684.db2.gz JSKJJBABJPXITN-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000476931978 1031076040 /nfs/dbraw/zinc/07/60/40/1031076040.db2.gz KEULQHRNVTWYPI-UHFFFAOYSA-N 1 2 347.827 3.839 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000668226934 1031077357 /nfs/dbraw/zinc/07/73/57/1031077357.db2.gz XKRDIPDRWAJNND-UHFFFAOYSA-N 1 2 331.378 3.510 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000760536687 1031109544 /nfs/dbraw/zinc/10/95/44/1031109544.db2.gz HUEWWOKVDUETNC-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000760536687 1031109550 /nfs/dbraw/zinc/10/95/50/1031109550.db2.gz HUEWWOKVDUETNC-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343492715 1031114855 /nfs/dbraw/zinc/11/48/55/1031114855.db2.gz NYJDUFCGLLSMTJ-VQTJNVASSA-N 1 2 347.418 3.557 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(F)c1 ZINC000483401311 1031141844 /nfs/dbraw/zinc/14/18/44/1031141844.db2.gz FEELTYKATRJYMD-FQEVSTJZSA-N 1 2 344.405 3.875 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(F)c1 ZINC000483401311 1031141855 /nfs/dbraw/zinc/14/18/55/1031141855.db2.gz FEELTYKATRJYMD-FQEVSTJZSA-N 1 2 344.405 3.875 20 0 EHADLO FC(F)Oc1cccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000483437363 1031168312 /nfs/dbraw/zinc/16/83/12/1031168312.db2.gz GUTVKOZCICELAN-SFHVURJKSA-N 1 2 349.377 3.568 20 0 EHADLO FC(F)Oc1cccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000483437363 1031168317 /nfs/dbraw/zinc/16/83/17/1031168317.db2.gz GUTVKOZCICELAN-SFHVURJKSA-N 1 2 349.377 3.568 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000551250813 1031168278 /nfs/dbraw/zinc/16/82/78/1031168278.db2.gz TXLTYZIMWOFPEG-RMFSNUHRSA-N 1 2 341.499 3.583 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000483439343 1031171960 /nfs/dbraw/zinc/17/19/60/1031171960.db2.gz KIUHZTQODOMJJR-GOSISDBHSA-N 1 2 349.377 3.568 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000483439343 1031171974 /nfs/dbraw/zinc/17/19/74/1031171974.db2.gz KIUHZTQODOMJJR-GOSISDBHSA-N 1 2 349.377 3.568 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001168152372 1031228328 /nfs/dbraw/zinc/22/83/28/1031228328.db2.gz RDOWFDTVODPHIK-CABCVRRESA-N 1 2 331.843 3.993 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)[nH+]1 ZINC000158288778 1031235193 /nfs/dbraw/zinc/23/51/93/1031235193.db2.gz OAACKVVHVIFSOS-GFCCVEGCSA-N 1 2 341.440 3.887 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)nn1 ZINC000527772918 1031235879 /nfs/dbraw/zinc/23/58/79/1031235879.db2.gz QETIXCITBUYJPU-HXUWFJFHSA-N 1 2 333.439 3.602 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@H](c3nnc[nH]3)c3ccccc3)c21 ZINC000343520584 1031237991 /nfs/dbraw/zinc/23/79/91/1031237991.db2.gz UQQVDXGATNEOOI-IBGZPJMESA-N 1 2 331.423 3.516 20 0 EHADLO c1ccn2c(c1)nnc2[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527833757 1031300620 /nfs/dbraw/zinc/30/06/20/1031300620.db2.gz PAWUIIMHTBAHOM-MRXNPFEDSA-N 1 2 329.407 3.662 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)n1 ZINC000527852638 1031322304 /nfs/dbraw/zinc/32/23/04/1031322304.db2.gz OGYRASIMWHSPCX-KRWDZBQOSA-N 1 2 346.434 3.793 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175457226 1031336895 /nfs/dbraw/zinc/33/68/95/1031336895.db2.gz RCSZGPRRJVNCQR-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175457226 1031336913 /nfs/dbraw/zinc/33/69/13/1031336913.db2.gz RCSZGPRRJVNCQR-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000343549491 1031342205 /nfs/dbraw/zinc/34/22/05/1031342205.db2.gz FVQBKJSNXWMYRO-HUUCEWRRSA-N 1 2 332.473 3.781 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1ccccc1 ZINC000175555118 1031347587 /nfs/dbraw/zinc/34/75/87/1031347587.db2.gz DHVBVQMAMJUEJM-SNVBAGLBSA-N 1 2 348.200 3.943 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)s1 ZINC000315368598 1031355198 /nfs/dbraw/zinc/35/51/98/1031355198.db2.gz QIPKYUITDHRLMC-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000175850165 1031390655 /nfs/dbraw/zinc/39/06/55/1031390655.db2.gz SQBLECUPVPWCJR-OXJNMPFZSA-N 1 2 346.434 3.775 20 0 EHADLO Fc1cc2c(cc1Cl)[C@H]([NH2+]Cc1nccc(C(F)F)n1)CC2 ZINC000527899953 1031401391 /nfs/dbraw/zinc/40/13/91/1031401391.db2.gz MWHVHJKJMLAJBZ-GFCCVEGCSA-N 1 2 327.737 3.984 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)ncn1 ZINC000527875339 1031403635 /nfs/dbraw/zinc/40/36/35/1031403635.db2.gz LWNGQDHBXFAGEI-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO Fc1cc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1Cl ZINC000483961846 1031404407 /nfs/dbraw/zinc/40/44/07/1031404407.db2.gz LNEWGNLWWOAIJR-OAHLLOKOSA-N 1 2 341.835 3.993 20 0 EHADLO Fc1cc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1Cl ZINC000483961846 1031404417 /nfs/dbraw/zinc/40/44/17/1031404417.db2.gz LNEWGNLWWOAIJR-OAHLLOKOSA-N 1 2 341.835 3.993 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000527924906 1031414542 /nfs/dbraw/zinc/41/45/42/1031414542.db2.gz IWTYHVWIVJKIBS-INIZCTEOSA-N 1 2 328.412 3.569 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2nn(C)cc2Br)C(C)C)c1 ZINC000527902057 1031425284 /nfs/dbraw/zinc/42/52/84/1031425284.db2.gz FAFVOOZBWZYGGF-INIZCTEOSA-N 1 2 336.277 3.978 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000668307444 1031436915 /nfs/dbraw/zinc/43/69/15/1031436915.db2.gz FWBIMIDDFBEBNB-IAGOWNOFSA-N 1 2 325.456 3.699 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CN[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000484101045 1031452026 /nfs/dbraw/zinc/45/20/26/1031452026.db2.gz XPIFOCMWHVLLBL-GOSISDBHSA-N 1 2 343.471 3.637 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000151501431 1031499870 /nfs/dbraw/zinc/49/98/70/1031499870.db2.gz LEWAKRKCYXIGOM-MAUKXSAKSA-N 1 2 343.446 3.878 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726117 1031512515 /nfs/dbraw/zinc/51/25/15/1031512515.db2.gz OXOQCXLJCUYZCB-CQSZACIVSA-N 1 2 343.393 3.667 20 0 EHADLO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080617060 1031546316 /nfs/dbraw/zinc/54/63/16/1031546316.db2.gz ABDDYXAOTBKUFD-MOPGFXCFSA-N 1 2 340.471 3.559 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)c3cccc(Br)c3)[nH+]c12 ZINC000083977792 1031558318 /nfs/dbraw/zinc/55/83/18/1031558318.db2.gz IQSBACAANHCHEV-FQEVSTJZSA-N 1 2 349.253 3.713 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nncn1-c1ccccc1 ZINC000278598797 1031575047 /nfs/dbraw/zinc/57/50/47/1031575047.db2.gz DTKFCAVWACUSNN-SFHVURJKSA-N 1 2 336.439 3.907 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(N2CCCC2=O)c1 ZINC000528036771 1031615722 /nfs/dbraw/zinc/61/57/22/1031615722.db2.gz WMZUXGBUEKWDAA-KGLIPLIRSA-N 1 2 327.403 3.759 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1nnc2n1CCCC2 ZINC000178076137 1031619641 /nfs/dbraw/zinc/61/96/41/1031619641.db2.gz QIWAIPSUFOEJTK-SMDDNHRTSA-N 1 2 332.448 3.641 20 0 EHADLO CCSc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178207096 1031642648 /nfs/dbraw/zinc/64/26/48/1031642648.db2.gz LPPITKRPRFZXMI-UHFFFAOYSA-N 1 2 326.425 3.768 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179040078 1031645240 /nfs/dbraw/zinc/64/52/40/1031645240.db2.gz TVXBLCJZKUNJHW-DHZHZOJOSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179040078 1031645248 /nfs/dbraw/zinc/64/52/48/1031645248.db2.gz TVXBLCJZKUNJHW-DHZHZOJOSA-N 1 2 347.871 3.826 20 0 EHADLO c1ccc(Oc2ccnc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000278609312 1031646253 /nfs/dbraw/zinc/64/62/53/1031646253.db2.gz IPACVJGBVUFEOB-UHFFFAOYSA-N 1 2 347.422 3.876 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1F ZINC000343620399 1031664800 /nfs/dbraw/zinc/66/48/00/1031664800.db2.gz DWLGTNCZHZDSJQ-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC000551806798 1031666575 /nfs/dbraw/zinc/66/65/75/1031666575.db2.gz UYNSAHZTIJTQII-UHFFFAOYSA-N 1 2 344.890 3.750 20 0 EHADLO CC(C)CC(C)(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000084580411 1031671997 /nfs/dbraw/zinc/67/19/97/1031671997.db2.gz USNQLZPJKTVFCJ-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nc(C4CCCC4)no3)CCOCC2)cc1 ZINC000178763359 1031704335 /nfs/dbraw/zinc/70/43/35/1031704335.db2.gz UWDWFBJZTOAEPY-UHFFFAOYSA-N 1 2 345.418 3.662 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000151619669 1031743898 /nfs/dbraw/zinc/74/38/98/1031743898.db2.gz VCFRWZZZGXCIQW-HKUYNNGSSA-N 1 2 343.515 3.893 20 0 EHADLO CCOc1cccc(C[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)n1 ZINC000477654379 1031759569 /nfs/dbraw/zinc/75/95/69/1031759569.db2.gz OFDSDNJYSLRHRW-OAQYLSRUSA-N 1 2 338.451 3.951 20 0 EHADLO CCOc1cccc(C[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)n1 ZINC000477654379 1031759587 /nfs/dbraw/zinc/75/95/87/1031759587.db2.gz OFDSDNJYSLRHRW-OAQYLSRUSA-N 1 2 338.451 3.951 20 0 EHADLO CC[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1nc2ccccc2[nH]1 ZINC000635484561 1031760799 /nfs/dbraw/zinc/76/07/99/1031760799.db2.gz ZCDKHGQJDAZMCY-RHSMWYFYSA-N 1 2 339.443 3.614 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000685268728 1031771575 /nfs/dbraw/zinc/77/15/75/1031771575.db2.gz BLONKPDHQLIMCS-HXUWFJFHSA-N 1 2 349.434 3.636 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000685268728 1031771594 /nfs/dbraw/zinc/77/15/94/1031771594.db2.gz BLONKPDHQLIMCS-HXUWFJFHSA-N 1 2 349.434 3.636 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)c[nH+]1 ZINC000551957791 1031792372 /nfs/dbraw/zinc/79/23/72/1031792372.db2.gz FSDPTSCKUZZTGD-NSHDSACASA-N 1 2 339.222 3.833 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000484641912 1031812198 /nfs/dbraw/zinc/81/21/98/1031812198.db2.gz JTVHBIAWLVRVLD-HXUWFJFHSA-N 1 2 336.435 3.973 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000484641912 1031812217 /nfs/dbraw/zinc/81/22/17/1031812217.db2.gz JTVHBIAWLVRVLD-HXUWFJFHSA-N 1 2 336.435 3.973 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000343657581 1031817397 /nfs/dbraw/zinc/81/73/97/1031817397.db2.gz HHTUWGXZLLZUFB-NZSAHSFTSA-N 1 2 335.451 3.518 20 0 EHADLO C[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1c[nH]c2ccccc21 ZINC000278652245 1031823613 /nfs/dbraw/zinc/82/36/13/1031823613.db2.gz MGNXFOCOWLUURG-OAHLLOKOSA-N 1 2 336.439 3.722 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC2(CCCC2)O1 ZINC000551992048 1031825875 /nfs/dbraw/zinc/82/58/75/1031825875.db2.gz YAVDEGUGRCZUMF-CYBMUJFWSA-N 1 2 333.457 3.722 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC2(CCCC2)O1 ZINC000551992048 1031825885 /nfs/dbraw/zinc/82/58/85/1031825885.db2.gz YAVDEGUGRCZUMF-CYBMUJFWSA-N 1 2 333.457 3.722 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C(C)(C)C(C)(F)F)c1)[NH+]1CCOCC1 ZINC000448907966 1031868266 /nfs/dbraw/zinc/86/82/66/1031868266.db2.gz IANALBZZODPGFE-ZDUSSCGKSA-N 1 2 340.414 3.700 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000448914554 1031885791 /nfs/dbraw/zinc/88/57/91/1031885791.db2.gz YAJRJISWNJNHPT-OXJNMPFZSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1nc(C2CCC2)sc1Cc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904264659 1031891024 /nfs/dbraw/zinc/89/10/24/1031891024.db2.gz MWYDHEGNWGAINF-UHFFFAOYSA-N 1 2 341.440 3.645 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2[C@@H]3c4ccc(Cl)cc4C[C@@H]32)n1 ZINC000904264851 1031893007 /nfs/dbraw/zinc/89/30/07/1031893007.db2.gz AKIPQGDJJBSIRG-APHBMKBZSA-N 1 2 338.798 3.729 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](Cc2cccnc2)C2CCCC2)n1 ZINC000904265439 1031893400 /nfs/dbraw/zinc/89/34/00/1031893400.db2.gz YOPIOYOINWHPKB-KRWDZBQOSA-N 1 2 349.438 3.934 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC000904268507 1031895174 /nfs/dbraw/zinc/89/51/74/1031895174.db2.gz SSWUQIGKLQTUBH-ZUZCIYMTSA-N 1 2 342.424 3.501 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000904271904 1031898303 /nfs/dbraw/zinc/89/83/03/1031898303.db2.gz DVFLSDDHFCTPLF-UHFFFAOYSA-N 1 2 338.436 3.803 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343680664 1031902828 /nfs/dbraw/zinc/90/28/28/1031902828.db2.gz PMIQLZXAVDPEEQ-IBGZPJMESA-N 1 2 348.450 3.659 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000343680664 1031902839 /nfs/dbraw/zinc/90/28/39/1031902839.db2.gz PMIQLZXAVDPEEQ-IBGZPJMESA-N 1 2 348.450 3.659 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4coc(C5CCCC5)n4)n3)[nH+]c12 ZINC000584198166 1031920595 /nfs/dbraw/zinc/92/05/95/1031920595.db2.gz WSLGACGXHHROGV-UHFFFAOYSA-N 1 2 349.394 3.929 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(N(C)C)[nH+]1 ZINC000162087678 1031935822 /nfs/dbraw/zinc/93/58/22/1031935822.db2.gz BJPIQCAZIYAXRB-KRWDZBQOSA-N 1 2 342.418 3.964 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000278686898 1031985462 /nfs/dbraw/zinc/98/54/62/1031985462.db2.gz JANLEWHYGDCZJQ-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000278686898 1031985469 /nfs/dbraw/zinc/98/54/69/1031985469.db2.gz JANLEWHYGDCZJQ-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482306 1031994714 /nfs/dbraw/zinc/99/47/14/1031994714.db2.gz ZKCYWEDVIWBGTH-IRXDYDNUSA-N 1 2 346.519 3.906 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482306 1031994723 /nfs/dbraw/zinc/99/47/23/1031994723.db2.gz ZKCYWEDVIWBGTH-IRXDYDNUSA-N 1 2 346.519 3.906 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccncc2F)CC1 ZINC000449014004 1032023695 /nfs/dbraw/zinc/02/36/95/1032023695.db2.gz GIXJZVFXRWJOAM-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000449016104 1032027541 /nfs/dbraw/zinc/02/75/41/1032027541.db2.gz MRSXRLSFDGHURT-MSOLQXFVSA-N 1 2 328.481 3.682 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000449016104 1032027557 /nfs/dbraw/zinc/02/75/57/1032027557.db2.gz MRSXRLSFDGHURT-MSOLQXFVSA-N 1 2 328.481 3.682 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C(C)C)c1 ZINC000528289309 1032043466 /nfs/dbraw/zinc/04/34/66/1032043466.db2.gz NOXPTQGOPMHAFQ-ROUUACIJSA-N 1 2 340.471 3.625 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000181991196 1032050288 /nfs/dbraw/zinc/05/02/88/1032050288.db2.gz IZGUYXHFGOQZIR-CRAIPNDOSA-N 1 2 326.444 3.869 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2F)C1 ZINC001140697990 1033310252 /nfs/dbraw/zinc/31/02/52/1033310252.db2.gz OYQKGTGVNHTPIS-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2F)C1 ZINC001140697990 1033310269 /nfs/dbraw/zinc/31/02/69/1033310269.db2.gz OYQKGTGVNHTPIS-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000898107953 1033332342 /nfs/dbraw/zinc/33/23/42/1033332342.db2.gz HGTFHTWEQMMKPA-GXFFZTMASA-N 1 2 346.208 3.571 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(N2CCCC2)nc1 ZINC000898119582 1033338989 /nfs/dbraw/zinc/33/89/89/1033338989.db2.gz UHRQRTMLEHIURD-UHFFFAOYSA-N 1 2 347.466 3.704 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(N2CCCC2)nc1 ZINC000898119582 1033339000 /nfs/dbraw/zinc/33/90/00/1033339000.db2.gz UHRQRTMLEHIURD-UHFFFAOYSA-N 1 2 347.466 3.704 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccc(Cl)cc2)c1C ZINC000050447736 1033365392 /nfs/dbraw/zinc/36/53/92/1033365392.db2.gz RITWWJODTSUJHS-UHFFFAOYSA-N 1 2 346.858 3.954 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488376 1033369653 /nfs/dbraw/zinc/36/96/53/1033369653.db2.gz ZCMMIVVSSQNNJH-UONOGXRCSA-N 1 2 349.525 3.535 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488376 1033369666 /nfs/dbraw/zinc/36/96/66/1033369666.db2.gz ZCMMIVVSSQNNJH-UONOGXRCSA-N 1 2 349.525 3.535 20 0 EHADLO O=C(CCc1ccccc1OC(F)(F)F)Nc1cccc2[nH+]ccn21 ZINC000460341681 1033514335 /nfs/dbraw/zinc/51/43/35/1033514335.db2.gz OSCGELFLAXTVCX-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1)C2 ZINC001168289765 1033529772 /nfs/dbraw/zinc/52/97/72/1033529772.db2.gz VGBHUJMZMIPPSP-QUCCMNQESA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@H]1c1ccc(Cl)cc1)C2 ZINC001168289765 1033529777 /nfs/dbraw/zinc/52/97/77/1033529777.db2.gz VGBHUJMZMIPPSP-QUCCMNQESA-N 1 2 343.854 3.889 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000608206564 1033542025 /nfs/dbraw/zinc/54/20/25/1033542025.db2.gz GCCOYKWRMUMJFN-FQEVSTJZSA-N 1 2 345.446 3.623 20 0 EHADLO CC[C@H]1CCC[C@@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449997136 1033572899 /nfs/dbraw/zinc/57/28/99/1033572899.db2.gz SIWWPENBOMRCIM-OALUTQOASA-N 1 2 343.515 3.973 20 0 EHADLO COc1ccc(Br)c(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000685570131 1033574188 /nfs/dbraw/zinc/57/41/88/1033574188.db2.gz SCNNXQOEMMXTGP-UHFFFAOYSA-N 1 2 332.188 3.689 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2nccn2C(F)F)s1 ZINC000598963731 1033599486 /nfs/dbraw/zinc/59/94/86/1033599486.db2.gz PHXGTOOMZWHVQX-UHFFFAOYSA-N 1 2 343.399 3.585 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1sc2ccccc2c1Cl ZINC000063706953 1033607718 /nfs/dbraw/zinc/60/77/18/1033607718.db2.gz REKQPGMUTRKQFM-UHFFFAOYSA-N 1 2 331.828 3.792 20 0 EHADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000608313939 1033614907 /nfs/dbraw/zinc/61/49/07/1033614907.db2.gz VFOBJIHGADTUMW-GFCCVEGCSA-N 1 2 343.456 3.887 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000685604898 1033617223 /nfs/dbraw/zinc/61/72/23/1033617223.db2.gz ZTPFWCFRHFGDGD-RTBURBONSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000685604898 1033617231 /nfs/dbraw/zinc/61/72/31/1033617231.db2.gz ZTPFWCFRHFGDGD-RTBURBONSA-N 1 2 341.430 3.545 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccccc2)no1 ZINC000046105536 1033730141 /nfs/dbraw/zinc/73/01/41/1033730141.db2.gz AXLIZFKHTDSXKY-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000608560837 1033764694 /nfs/dbraw/zinc/76/46/94/1033764694.db2.gz OMGRCJUEOYSSLC-LJQANCHMSA-N 1 2 349.434 3.898 20 0 EHADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000608560837 1033764709 /nfs/dbraw/zinc/76/47/09/1033764709.db2.gz OMGRCJUEOYSSLC-LJQANCHMSA-N 1 2 349.434 3.898 20 0 EHADLO Cc1ccsc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174195741 1033800406 /nfs/dbraw/zinc/80/04/06/1033800406.db2.gz IOXXISJWFWHJTI-UHFFFAOYSA-N 1 2 343.496 3.521 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C2(c3ccc(F)cc3)CCCCC2)no1 ZINC000685691861 1033802946 /nfs/dbraw/zinc/80/29/46/1033802946.db2.gz KBWGZSLEYUIGPE-UHFFFAOYSA-N 1 2 340.402 3.783 20 0 EHADLO O=C(C1=C(c2ccccc2)CCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450155798 1033822104 /nfs/dbraw/zinc/82/21/04/1033822104.db2.gz BCMHTPJJYUHVQB-GOSISDBHSA-N 1 2 334.419 3.699 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(OCCC)c1 ZINC000780893318 1033822167 /nfs/dbraw/zinc/82/21/67/1033822167.db2.gz VLYXITSPXRIUPR-UHFFFAOYSA-N 1 2 349.471 3.603 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(OCCC)c1 ZINC000780893318 1033822182 /nfs/dbraw/zinc/82/21/82/1033822182.db2.gz VLYXITSPXRIUPR-UHFFFAOYSA-N 1 2 349.471 3.603 20 0 EHADLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000635705784 1033861113 /nfs/dbraw/zinc/86/11/13/1033861113.db2.gz YUNDJFLFZXWUFZ-KRWDZBQOSA-N 1 2 337.427 3.808 20 0 EHADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCCC1 ZINC000046921081 1033878734 /nfs/dbraw/zinc/87/87/34/1033878734.db2.gz WPEVCONJMNEKFV-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(C)CCCC3)cn2c1 ZINC000108904980 1033903847 /nfs/dbraw/zinc/90/38/47/1033903847.db2.gz XUBBUBGMHGSFRI-UHFFFAOYSA-N 1 2 331.485 3.572 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000120544579 1033920676 /nfs/dbraw/zinc/92/06/76/1033920676.db2.gz FWTUQRYSUGLFCG-SFHVURJKSA-N 1 2 326.444 3.553 20 0 EHADLO O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000603786556 1033934645 /nfs/dbraw/zinc/93/46/45/1033934645.db2.gz YHPUVMPEIXCGJJ-UHFFFAOYSA-N 1 2 348.431 3.563 20 0 EHADLO O=C(CNc1cccc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000603857115 1033981397 /nfs/dbraw/zinc/98/13/97/1033981397.db2.gz PRKKSKWPJGYYSX-UHFFFAOYSA-N 1 2 326.787 3.576 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccnc(Oc2ccccc2)c1 ZINC000603882672 1034006799 /nfs/dbraw/zinc/00/67/99/1034006799.db2.gz USYNUTXEAPHLDT-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cn2cc(Cl)cn2)cc1 ZINC000171067161 1034034460 /nfs/dbraw/zinc/03/44/60/1034034460.db2.gz ZUHXJOKXBZZDFS-UHFFFAOYSA-N 1 2 344.821 3.773 20 0 EHADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cn2cc(Cl)cn2)cc1 ZINC000171067161 1034034478 /nfs/dbraw/zinc/03/44/78/1034034478.db2.gz ZUHXJOKXBZZDFS-UHFFFAOYSA-N 1 2 344.821 3.773 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](Cc3cc(=O)c(O)co3)CC2)cc1 ZINC000605575572 1034041136 /nfs/dbraw/zinc/04/11/36/1034041136.db2.gz HSLNPVKGSSCXNK-UHFFFAOYSA-N 1 2 343.423 3.512 20 0 EHADLO CCn1cc(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)nn1 ZINC000658176540 1034041943 /nfs/dbraw/zinc/04/19/43/1034041943.db2.gz NLCZNCVBMKAMHG-QGZVFWFLSA-N 1 2 326.444 3.614 20 0 EHADLO CCn1cc(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000658175424 1034042266 /nfs/dbraw/zinc/04/22/66/1034042266.db2.gz AJKJWFNXBCWILE-ZDUSSCGKSA-N 1 2 341.242 3.608 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCCSc2ccc(Cl)cc2)c1 ZINC000596061848 1034066752 /nfs/dbraw/zinc/06/67/52/1034066752.db2.gz LLRPRAOXPYNLSW-UHFFFAOYSA-N 1 2 336.844 3.655 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000596064021 1034067235 /nfs/dbraw/zinc/06/72/35/1034067235.db2.gz QTXCQLQUAXERBM-IBGZPJMESA-N 1 2 328.412 3.615 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894318 1034071411 /nfs/dbraw/zinc/07/14/11/1034071411.db2.gz BVVRAQZVSDZVFA-UHFFFAOYSA-N 1 2 348.450 3.994 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2sccc2Br)c1F ZINC000658226964 1034083457 /nfs/dbraw/zinc/08/34/57/1034083457.db2.gz FTFCSUUSFCKPLO-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667063 1034078105 /nfs/dbraw/zinc/07/81/05/1034078105.db2.gz PJJWQPLBTXVQHU-CJNGLKHVSA-N 1 2 336.391 3.661 20 0 EHADLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667063 1034078115 /nfs/dbraw/zinc/07/81/15/1034078115.db2.gz PJJWQPLBTXVQHU-CJNGLKHVSA-N 1 2 336.391 3.661 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000119243684 1034121359 /nfs/dbraw/zinc/12/13/59/1034121359.db2.gz YXQPDQQLLTVLKU-HNNXBMFYSA-N 1 2 342.439 3.520 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000119243684 1034121369 /nfs/dbraw/zinc/12/13/69/1034121369.db2.gz YXQPDQQLLTVLKU-HNNXBMFYSA-N 1 2 342.439 3.520 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000596226097 1034127274 /nfs/dbraw/zinc/12/72/74/1034127274.db2.gz VGSJOZKCVUGBCX-NVXWUHKLSA-N 1 2 328.387 3.684 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000537617063 1034163864 /nfs/dbraw/zinc/16/38/64/1034163864.db2.gz XLKIOVASHCQQKJ-HNAYVOBHSA-N 1 2 343.423 3.727 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000537617063 1034163880 /nfs/dbraw/zinc/16/38/80/1034163880.db2.gz XLKIOVASHCQQKJ-HNAYVOBHSA-N 1 2 343.423 3.727 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000120800740 1034169064 /nfs/dbraw/zinc/16/90/64/1034169064.db2.gz YXFHJCNXIVREBA-MRXNPFEDSA-N 1 2 349.434 3.775 20 0 EHADLO CC(C)(C)n1cc(CSCc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000596358181 1034200119 /nfs/dbraw/zinc/20/01/19/1034200119.db2.gz YGVWCZRGDTUVNM-UHFFFAOYSA-N 1 2 327.457 3.652 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2Br)[C@@H]1[C@H]1CCCO1 ZINC000529578371 1034208772 /nfs/dbraw/zinc/20/87/72/1034208772.db2.gz RFSYZGROLVTBRN-VXGBXAGGSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2Br)[C@@H]1[C@H]1CCCO1 ZINC000529578371 1034208786 /nfs/dbraw/zinc/20/87/86/1034208786.db2.gz RFSYZGROLVTBRN-VXGBXAGGSA-N 1 2 330.291 3.900 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000450396215 1034235704 /nfs/dbraw/zinc/23/57/04/1034235704.db2.gz VGHBSRPBRDIYAH-MRXNPFEDSA-N 1 2 347.455 3.609 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000450396215 1034235713 /nfs/dbraw/zinc/23/57/13/1034235713.db2.gz VGHBSRPBRDIYAH-MRXNPFEDSA-N 1 2 347.455 3.609 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000599944312 1034255076 /nfs/dbraw/zinc/25/50/76/1034255076.db2.gz ABUZLOJQJLEHOK-ZDUSSCGKSA-N 1 2 343.377 3.604 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000599944312 1034255093 /nfs/dbraw/zinc/25/50/93/1034255093.db2.gz ABUZLOJQJLEHOK-ZDUSSCGKSA-N 1 2 343.377 3.604 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000599944304 1034255205 /nfs/dbraw/zinc/25/52/05/1034255205.db2.gz ABUZLOJQJLEHOK-CYBMUJFWSA-N 1 2 343.377 3.604 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000599944304 1034255218 /nfs/dbraw/zinc/25/52/18/1034255218.db2.gz ABUZLOJQJLEHOK-CYBMUJFWSA-N 1 2 343.377 3.604 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2C1 ZINC000120947122 1034269940 /nfs/dbraw/zinc/26/99/40/1034269940.db2.gz YRIFYYDCGDRMHD-BBRMVZONSA-N 1 2 342.464 3.561 20 0 EHADLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1Cl ZINC000015301881 1034304159 /nfs/dbraw/zinc/30/41/59/1034304159.db2.gz IVOSGBGHKALJGZ-AWEZNQCLSA-N 1 2 348.849 3.658 20 0 EHADLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1Cl ZINC000015301881 1034304173 /nfs/dbraw/zinc/30/41/73/1034304173.db2.gz IVOSGBGHKALJGZ-AWEZNQCLSA-N 1 2 348.849 3.658 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)c2csnn2)CC1 ZINC000450441960 1034338189 /nfs/dbraw/zinc/33/81/89/1034338189.db2.gz RLVSPULDVZSVGT-OLZOCXBDSA-N 1 2 336.892 3.631 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](Cc2ccccc2)OC)cs1 ZINC000450442938 1034339295 /nfs/dbraw/zinc/33/92/95/1034339295.db2.gz UHQABWDFQCEDKJ-MAUKXSAKSA-N 1 2 348.512 3.930 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](Cc2ccccc2)OC)cs1 ZINC000450442938 1034339311 /nfs/dbraw/zinc/33/93/11/1034339311.db2.gz UHQABWDFQCEDKJ-MAUKXSAKSA-N 1 2 348.512 3.930 20 0 EHADLO CC(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C(C)C ZINC000456352421 1034341452 /nfs/dbraw/zinc/34/14/52/1034341452.db2.gz UYHGPSWBCIPKOE-CTNGQTDRSA-N 1 2 339.483 3.613 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000534299243 1034356000 /nfs/dbraw/zinc/35/60/00/1034356000.db2.gz CQFLWHVXMFWKBK-CABCVRRESA-N 1 2 334.341 3.881 20 0 EHADLO Cc1cc(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C)c[nH+]1 ZINC000548880048 1034356464 /nfs/dbraw/zinc/35/64/64/1034356464.db2.gz WYFCRUBUCPREEK-XIKOKIGWSA-N 1 2 329.831 3.831 20 0 EHADLO CCCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OCC ZINC000534299591 1034358633 /nfs/dbraw/zinc/35/86/33/1034358633.db2.gz RHKHZEJWCJWVFB-UHFFFAOYSA-N 1 2 328.412 3.560 20 0 EHADLO Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)c(C)c[nH+]1 ZINC000534299737 1034359992 /nfs/dbraw/zinc/35/99/92/1034359992.db2.gz AYFVEOUYSVQYPF-UHFFFAOYSA-N 1 2 332.403 3.952 20 0 EHADLO C[C@H](CC(=O)Nc1cc(Br)ccc1Cl)n1cc[nH+]c1 ZINC001125786493 1034360967 /nfs/dbraw/zinc/36/09/67/1034360967.db2.gz QOFLWJHSWURXTO-SECBINFHSA-N 1 2 342.624 3.889 20 0 EHADLO CN(C)[C@@H](C(=O)Nc1cccc(C2CCCCC2)c1)c1c[nH+]cn1C ZINC000529651994 1034361732 /nfs/dbraw/zinc/36/17/32/1034361732.db2.gz ZVEYYEYHHUNIIL-LJQANCHMSA-N 1 2 340.471 3.709 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCc3ccc(C)cc32)cs1 ZINC000604416216 1034370274 /nfs/dbraw/zinc/37/02/74/1034370274.db2.gz QEISKKZOZJUNBK-KRWDZBQOSA-N 1 2 329.469 3.601 20 0 EHADLO CC(C)COc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529665878 1034391784 /nfs/dbraw/zinc/39/17/84/1034391784.db2.gz PGZDKEIHBMSYAM-UHFFFAOYSA-N 1 2 337.467 3.947 20 0 EHADLO CC(C)COc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529665878 1034391795 /nfs/dbraw/zinc/39/17/95/1034391795.db2.gz PGZDKEIHBMSYAM-UHFFFAOYSA-N 1 2 337.467 3.947 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c(C)c[nH+]1 ZINC000534323600 1034398859 /nfs/dbraw/zinc/39/88/59/1034398859.db2.gz ITCBMVHLBUIJQO-ADLMAVQZSA-N 1 2 327.403 3.705 20 0 EHADLO CC[C@@H](CSc1ccccc1)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534325350 1034400254 /nfs/dbraw/zinc/40/02/54/1034400254.db2.gz BUHSQWCNGQRBIO-HNNXBMFYSA-N 1 2 329.469 3.813 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604651385 1034443265 /nfs/dbraw/zinc/44/32/65/1034443265.db2.gz VBMOIOXOMDATSG-RBUKOAKNSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604670804 1034449019 /nfs/dbraw/zinc/44/90/19/1034449019.db2.gz SCNWOYMNHUJFSN-DOTOQJQBSA-N 1 2 326.444 3.592 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023666780 1034501937 /nfs/dbraw/zinc/50/19/37/1034501937.db2.gz DKBVUMSUQMLOIF-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023666780 1034501948 /nfs/dbraw/zinc/50/19/48/1034501948.db2.gz DKBVUMSUQMLOIF-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO CCc1nc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000604767493 1034504993 /nfs/dbraw/zinc/50/49/93/1034504993.db2.gz MOBBEDXVXDHDPM-HNNXBMFYSA-N 1 2 344.402 3.722 20 0 EHADLO O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1-n1cc[nH+]c1 ZINC000179584407 1034510628 /nfs/dbraw/zinc/51/06/28/1034510628.db2.gz MXQYRMQILKZDCF-SOFGYWHQSA-N 1 2 343.839 3.917 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000604813347 1034513295 /nfs/dbraw/zinc/51/32/95/1034513295.db2.gz AXCDRFZLGJRMEP-IBGZPJMESA-N 1 2 343.515 3.860 20 0 EHADLO Cc1nc(N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000413589613 1034519306 /nfs/dbraw/zinc/51/93/06/1034519306.db2.gz HHXKTHFMCWLIMY-INIZCTEOSA-N 1 2 333.476 3.740 20 0 EHADLO CC[C@H](C)[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000604861723 1034531956 /nfs/dbraw/zinc/53/19/56/1034531956.db2.gz OXASGGRODXSLJB-UWJYYQICSA-N 1 2 336.479 3.948 20 0 EHADLO CCCCn1c(SCC[C@H]2CCOC2)nnc1[C@H](CC)[NH+](C)C ZINC000450596213 1034568434 /nfs/dbraw/zinc/56/84/34/1034568434.db2.gz SMWIEWAUPFTBIV-CABCVRRESA-N 1 2 340.537 3.610 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000171754601 1034605999 /nfs/dbraw/zinc/60/59/99/1034605999.db2.gz CUUMHBYZGLICKX-UHFFFAOYSA-N 1 2 342.402 3.597 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2cc(C)ccc2F)c1C ZINC000050254144 1034615243 /nfs/dbraw/zinc/61/52/43/1034615243.db2.gz KICJKYKORADHJP-UHFFFAOYSA-N 1 2 333.432 3.641 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@@H](c2ccccc2)C1 ZINC000605080154 1034620343 /nfs/dbraw/zinc/62/03/43/1034620343.db2.gz FWEYKJJJJXMCTA-QGZVFWFLSA-N 1 2 338.382 3.701 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@@H](c2ccccc2)C1 ZINC000605080154 1034620345 /nfs/dbraw/zinc/62/03/45/1034620345.db2.gz FWEYKJJJJXMCTA-QGZVFWFLSA-N 1 2 338.382 3.701 20 0 EHADLO Fc1ccc(OCC[N@@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000569735640 1034636833 /nfs/dbraw/zinc/63/68/33/1034636833.db2.gz GIWAOERJVUVWAY-UHFFFAOYSA-N 1 2 349.789 3.731 20 0 EHADLO Fc1ccc(OCC[N@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000569735640 1034636844 /nfs/dbraw/zinc/63/68/44/1034636844.db2.gz GIWAOERJVUVWAY-UHFFFAOYSA-N 1 2 349.789 3.731 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450659770 1034653546 /nfs/dbraw/zinc/65/35/46/1034653546.db2.gz IZULXLQDPWNTBK-LBPRGKRZSA-N 1 2 327.350 3.613 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)n1 ZINC000450665687 1034663901 /nfs/dbraw/zinc/66/39/01/1034663901.db2.gz FQAUKIROMKEEGY-HNNXBMFYSA-N 1 2 329.444 3.761 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCc4sccc4C3)C2=O)c1 ZINC000605316194 1034707328 /nfs/dbraw/zinc/70/73/28/1034707328.db2.gz JSOWCPNTSBALRY-INIZCTEOSA-N 1 2 344.455 3.749 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCc4sccc4C3)C2=O)c1 ZINC000605316194 1034707340 /nfs/dbraw/zinc/70/73/40/1034707340.db2.gz JSOWCPNTSBALRY-INIZCTEOSA-N 1 2 344.455 3.749 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2n[nH]cc21)c1nc(C2CCCCC2)no1 ZINC000628251084 1034720871 /nfs/dbraw/zinc/72/08/71/1034720871.db2.gz QYBBISHMDCYYDS-LBPRGKRZSA-N 1 2 325.416 3.844 20 0 EHADLO CC(C)c1cc(C(=O)NCCCNc2cccc[nH+]2)c2ccccc2n1 ZINC000605392471 1034726203 /nfs/dbraw/zinc/72/62/03/1034726203.db2.gz OHQFNRXNHPXDRA-UHFFFAOYSA-N 1 2 348.450 3.985 20 0 EHADLO CC[C@H](CC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(OC)cc1 ZINC000456834608 1034778810 /nfs/dbraw/zinc/77/88/10/1034778810.db2.gz HTZXWFKHHPYNGX-MRXNPFEDSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2c(Cl)cccc2Cl)c[nH+]1 ZINC000456837668 1034782062 /nfs/dbraw/zinc/78/20/62/1034782062.db2.gz BSKXIUWDBBBIPE-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278791516 1034786639 /nfs/dbraw/zinc/78/66/39/1034786639.db2.gz GYOCYPAXYKECBD-UHFFFAOYSA-N 1 2 338.455 3.939 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000529940210 1034800725 /nfs/dbraw/zinc/80/07/25/1034800725.db2.gz DYUKOYZQMUMXSF-HNNXBMFYSA-N 1 2 348.450 3.930 20 0 EHADLO CCOc1c(Cl)cccc1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456855158 1034811713 /nfs/dbraw/zinc/81/17/13/1034811713.db2.gz ZINRMNQGPUPGIE-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ccccc2Br)c[nH+]1 ZINC000456856602 1034813248 /nfs/dbraw/zinc/81/32/48/1034813248.db2.gz JUCSLVKRXMZRAI-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000601936648 1034813603 /nfs/dbraw/zinc/81/36/03/1034813603.db2.gz XBPPOJYMHBHNHB-OLZOCXBDSA-N 1 2 332.400 3.660 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc4c(cc3Cl)CCC4)[nH+]c12 ZINC000530019675 1034897508 /nfs/dbraw/zinc/89/75/08/1034897508.db2.gz ARKWPSDGXYADQE-UHFFFAOYSA-N 1 2 339.826 3.966 20 0 EHADLO Cc1csc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000303366846 1034927836 /nfs/dbraw/zinc/92/78/36/1034927836.db2.gz RIVMLZHVAQXLEK-AWEZNQCLSA-N 1 2 335.904 3.984 20 0 EHADLO Cc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(F)c(C)c3)cs2)o1 ZINC000065947968 1035011245 /nfs/dbraw/zinc/01/12/45/1035011245.db2.gz KHOJKQCKPCCCAB-UHFFFAOYSA-N 1 2 345.399 3.996 20 0 EHADLO CCOc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431659977 1035028772 /nfs/dbraw/zinc/02/87/72/1035028772.db2.gz VJEMICYSKHBNIV-UHFFFAOYSA-N 1 2 335.407 3.511 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451023627 1035041846 /nfs/dbraw/zinc/04/18/46/1035041846.db2.gz LBPJWDPHVJWCEV-INIZCTEOSA-N 1 2 335.451 3.760 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023627 1035041854 /nfs/dbraw/zinc/04/18/54/1035041854.db2.gz LBPJWDPHVJWCEV-INIZCTEOSA-N 1 2 335.451 3.760 20 0 EHADLO CC1(C)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)c2ccccc21 ZINC000685783440 1035047145 /nfs/dbraw/zinc/04/71/45/1035047145.db2.gz VSUDUORECVQUPP-UHFFFAOYSA-N 1 2 345.446 3.798 20 0 EHADLO CCc1ccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000066006648 1035096410 /nfs/dbraw/zinc/09/64/10/1035096410.db2.gz NGUCAZYBCFRXBK-INIZCTEOSA-N 1 2 330.501 3.847 20 0 EHADLO Cc1ccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000066006622 1035096713 /nfs/dbraw/zinc/09/67/13/1035096713.db2.gz MYGGHKOFTXWNOI-OAHLLOKOSA-N 1 2 334.464 3.732 20 0 EHADLO Cc1ccc2sc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2c1 ZINC000685790959 1035133394 /nfs/dbraw/zinc/13/33/94/1035133394.db2.gz PNDGHZFTWALBAS-OAHLLOKOSA-N 1 2 337.448 3.613 20 0 EHADLO COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000066172841 1035279195 /nfs/dbraw/zinc/27/91/95/1035279195.db2.gz PQBWOZLAOQREIK-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376120322 1035291214 /nfs/dbraw/zinc/29/12/14/1035291214.db2.gz YPEZOZGJTZZABA-OAHLLOKOSA-N 1 2 343.496 3.940 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCc2ccccc2-c2ccccc21 ZINC000413961674 1035292021 /nfs/dbraw/zinc/29/20/21/1035292021.db2.gz ADPAVVVJSCGWQJ-QGZVFWFLSA-N 1 2 343.430 3.702 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1(c2ccccc2)CCC1 ZINC000066220485 1035299246 /nfs/dbraw/zinc/29/92/46/1035299246.db2.gz MQFKCNFMSACZBJ-UHFFFAOYSA-N 1 2 346.434 3.751 20 0 EHADLO CCOCc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892515301 1035350315 /nfs/dbraw/zinc/35/03/15/1035350315.db2.gz LXPCIBBOZLXZRT-UHFFFAOYSA-N 1 2 330.375 3.988 20 0 EHADLO Fc1cc(Cl)c(O[C@H]2CC[NH2+]CC2(F)F)c(Br)c1 ZINC001218007255 1035360388 /nfs/dbraw/zinc/36/03/88/1035360388.db2.gz RKSUQWQXJNVYMG-VIFPVBQESA-N 1 2 344.558 3.618 20 0 EHADLO CC1(C)CCC(C)(C)N(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636253134 1035394600 /nfs/dbraw/zinc/39/46/00/1035394600.db2.gz GZQQKAVNFSZRDT-LBPRGKRZSA-N 1 2 331.382 3.804 20 0 EHADLO COc1ccccc1/C(C)=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066340690 1035399839 /nfs/dbraw/zinc/39/98/39/1035399839.db2.gz LBMLKUIJVNNUGS-DTQAZKPQSA-N 1 2 347.418 3.601 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685849589 1035412548 /nfs/dbraw/zinc/41/25/48/1035412548.db2.gz PLTNGIAZGPQRNI-MJGOQNOKSA-N 1 2 327.472 3.836 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685849589 1035412549 /nfs/dbraw/zinc/41/25/49/1035412549.db2.gz PLTNGIAZGPQRNI-MJGOQNOKSA-N 1 2 327.472 3.836 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000685854137 1035427750 /nfs/dbraw/zinc/42/77/50/1035427750.db2.gz UYEOBCDDQKURNA-CYBMUJFWSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC(C)(C)C ZINC000613179526 1035443874 /nfs/dbraw/zinc/44/38/74/1035443874.db2.gz NSEJXSHRQQGSEB-QGZVFWFLSA-N 1 2 346.515 3.597 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(CC1CC1)C1CCCCC1 ZINC000511456004 1035462735 /nfs/dbraw/zinc/46/27/35/1035462735.db2.gz VGLHQDQFQKGCTL-VQIMIIECSA-N 1 2 341.499 3.725 20 0 EHADLO COc1cc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1C ZINC000923785435 1035475465 /nfs/dbraw/zinc/47/54/65/1035475465.db2.gz KMMJABCGSRDSGW-INIZCTEOSA-N 1 2 340.427 3.809 20 0 EHADLO CC[C@@]1(C)Oc2ccc(NC(=O)c3ccn4c(C)c[nH+]c4c3)cc2O1 ZINC000571460129 1035499819 /nfs/dbraw/zinc/49/98/19/1035499819.db2.gz FMQSKALLBVBVED-IBGZPJMESA-N 1 2 337.379 3.792 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492231030 1035504523 /nfs/dbraw/zinc/50/45/23/1035504523.db2.gz GUOYMHHANNFPKB-MQNTZWLQSA-N 1 2 341.455 3.622 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]1[C@@H]1CCCO1 ZINC000571573484 1035539457 /nfs/dbraw/zinc/53/94/57/1035539457.db2.gz UNLJVEAHMJCGPV-PKOBYXMFSA-N 1 2 339.439 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]1[C@@H]1CCCO1 ZINC000571573484 1035539465 /nfs/dbraw/zinc/53/94/65/1035539465.db2.gz UNLJVEAHMJCGPV-PKOBYXMFSA-N 1 2 339.439 3.658 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000492265682 1035540286 /nfs/dbraw/zinc/54/02/86/1035540286.db2.gz HGOZNGKOJNOMRN-KBPBESRZSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2sccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000492265682 1035540295 /nfs/dbraw/zinc/54/02/95/1035540295.db2.gz HGOZNGKOJNOMRN-KBPBESRZSA-N 1 2 338.835 3.716 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000571535002 1035546482 /nfs/dbraw/zinc/54/64/82/1035546482.db2.gz JBQWLTHKEWCVQC-APWZRJJASA-N 1 2 325.456 3.602 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000571535002 1035546499 /nfs/dbraw/zinc/54/64/99/1035546499.db2.gz JBQWLTHKEWCVQC-APWZRJJASA-N 1 2 325.456 3.602 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(F)c(F)c(F)c1 ZINC000185848566 1035549420 /nfs/dbraw/zinc/54/94/20/1035549420.db2.gz HRTRLTPJAVNMCM-UHFFFAOYSA-N 1 2 335.329 3.712 20 0 EHADLO Fc1ccccc1COc1ccc[nH+]c1NCCOC(F)(F)F ZINC001168164763 1035560671 /nfs/dbraw/zinc/56/06/71/1035560671.db2.gz RWCBOVLBTMCILD-UHFFFAOYSA-N 1 2 330.281 3.748 20 0 EHADLO O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccn2cc[nH+]c2c1 ZINC000571605306 1035565471 /nfs/dbraw/zinc/56/54/71/1035565471.db2.gz FEIJOAHZHIIMIX-RYUDHWBXSA-N 1 2 340.349 3.825 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000186012802 1035565854 /nfs/dbraw/zinc/56/58/54/1035565854.db2.gz FVTBRPASWNTFCB-SOFGYWHQSA-N 1 2 331.419 3.913 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@H](C)C1 ZINC000456996054 1035610913 /nfs/dbraw/zinc/61/09/13/1035610913.db2.gz ZOMQEKFPRSOAKH-BQFCYCMXSA-N 1 2 325.456 3.876 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000463536011 1035620691 /nfs/dbraw/zinc/62/06/91/1035620691.db2.gz MYRSNSAZJXWUFQ-MSOLQXFVSA-N 1 2 343.471 3.747 20 0 EHADLO COc1cc(Br)c(CNc2cc[nH+]cc2F)c(OC)c1 ZINC000186426716 1035632156 /nfs/dbraw/zinc/63/21/56/1035632156.db2.gz XQYDOSHFWLBDFF-UHFFFAOYSA-N 1 2 341.180 3.613 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000571733869 1035632455 /nfs/dbraw/zinc/63/24/55/1035632455.db2.gz BTQJKRRICSBILY-CYBMUJFWSA-N 1 2 339.365 3.509 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C)c3)c2C1 ZINC000186649362 1035677934 /nfs/dbraw/zinc/67/79/34/1035677934.db2.gz WNUJNEJPMMUCEQ-UHFFFAOYSA-N 1 2 344.480 3.663 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C)c3)c2C1 ZINC000186649362 1035677946 /nfs/dbraw/zinc/67/79/46/1035677946.db2.gz WNUJNEJPMMUCEQ-UHFFFAOYSA-N 1 2 344.480 3.663 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCCC[C@@H]1c1ccccc1 ZINC000540811527 1035703952 /nfs/dbraw/zinc/70/39/52/1035703952.db2.gz QZJKOXDJSKBGDN-GOSISDBHSA-N 1 2 338.455 3.820 20 0 EHADLO CCCC(=O)NC[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000571876798 1035770076 /nfs/dbraw/zinc/77/00/76/1035770076.db2.gz QHQZJHLASTUTFR-CQSZACIVSA-N 1 2 329.419 3.507 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[nH+]c1C ZINC000571895919 1035779540 /nfs/dbraw/zinc/77/95/40/1035779540.db2.gz WDOTVYBWYGSCFY-UHFFFAOYSA-N 1 2 346.862 3.918 20 0 EHADLO Cc1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2c(C)cccc2C)c(C)[nH+]1 ZINC000187239057 1035799864 /nfs/dbraw/zinc/79/98/64/1035799864.db2.gz DQJNGKTWXVFTMF-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000613413002 1035807346 /nfs/dbraw/zinc/80/73/46/1035807346.db2.gz IUPCUAKUBLKDDX-QGZVFWFLSA-N 1 2 333.863 3.562 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)C1=CCCC1 ZINC000457181375 1035824085 /nfs/dbraw/zinc/82/40/85/1035824085.db2.gz LRALGRMJYSMYKM-UHFFFAOYSA-N 1 2 347.409 3.876 20 0 EHADLO CCCc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1Cc1ccccc1 ZINC000535035588 1035942662 /nfs/dbraw/zinc/94/26/62/1035942662.db2.gz BAWDWQQTPYEBNT-UHFFFAOYSA-N 1 2 348.450 3.570 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000613465271 1035967880 /nfs/dbraw/zinc/96/78/80/1035967880.db2.gz XJOOCPJDYNUYRP-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000613465271 1035967889 /nfs/dbraw/zinc/96/78/89/1035967889.db2.gz XJOOCPJDYNUYRP-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000188976517 1035997272 /nfs/dbraw/zinc/99/72/72/1035997272.db2.gz BPSFFOBMGPIQFH-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572106413 1035997580 /nfs/dbraw/zinc/99/75/80/1035997580.db2.gz MBTSHCAIRYYGQI-CXAGYDPISA-N 1 2 347.846 3.671 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000572111651 1035998349 /nfs/dbraw/zinc/99/83/49/1035998349.db2.gz NMTYDLXBZQLSHU-RTBURBONSA-N 1 2 340.471 3.546 20 0 EHADLO CCn1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000414213991 1036094999 /nfs/dbraw/zinc/09/49/99/1036094999.db2.gz VGPHCBAFEJUZPB-HXUWFJFHSA-N 1 2 339.414 3.930 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000613502405 1036127475 /nfs/dbraw/zinc/12/74/75/1036127475.db2.gz NFAJKXBKIAGHIS-OAHLLOKOSA-N 1 2 339.439 3.766 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000613502405 1036127486 /nfs/dbraw/zinc/12/74/86/1036127486.db2.gz NFAJKXBKIAGHIS-OAHLLOKOSA-N 1 2 339.439 3.766 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)CCOCC2CC2)c1=S ZINC000755946362 1036140756 /nfs/dbraw/zinc/14/07/56/1036140756.db2.gz JOEUHADZEXNPEQ-UHFFFAOYSA-N 1 2 331.485 3.539 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)CCOCC2CC2)c1=S ZINC000755946362 1036140774 /nfs/dbraw/zinc/14/07/74/1036140774.db2.gz JOEUHADZEXNPEQ-UHFFFAOYSA-N 1 2 331.485 3.539 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccccc1 ZINC000063604990 1036163418 /nfs/dbraw/zinc/16/34/18/1036163418.db2.gz MZHHNXUIXIMOGB-LJQANCHMSA-N 1 2 344.430 3.534 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414234212 1036217465 /nfs/dbraw/zinc/21/74/65/1036217465.db2.gz IVGWTTTYIVRKQK-CQSZACIVSA-N 1 2 343.448 3.996 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1nnnn1C1CC1 ZINC000190497396 1036246602 /nfs/dbraw/zinc/24/66/02/1036246602.db2.gz CLCALCMOGDXDFG-RKDXNWHRSA-N 1 2 326.231 3.727 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535263813 1036254042 /nfs/dbraw/zinc/25/40/42/1036254042.db2.gz BQWCACQPLCERAQ-DUXPYHPUSA-N 1 2 344.455 3.635 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Cl)c3ncccc23)c1 ZINC000669899153 1036273789 /nfs/dbraw/zinc/27/37/89/1036273789.db2.gz XFBGISGONZCBDK-UHFFFAOYSA-N 1 2 326.787 3.602 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2c(c1)CCO2 ZINC000897417600 1036297002 /nfs/dbraw/zinc/29/70/02/1036297002.db2.gz SICPBYKLLROPSA-SECBINFHSA-N 1 2 328.359 3.948 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000589258939 1036323813 /nfs/dbraw/zinc/32/38/13/1036323813.db2.gz DJZAWDXRWRSQJZ-INIZCTEOSA-N 1 2 328.412 3.791 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105674 1036338733 /nfs/dbraw/zinc/33/87/33/1036338733.db2.gz YUBWOORAJPNPGM-QWRGUYRKSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105674 1036338751 /nfs/dbraw/zinc/33/87/51/1036338751.db2.gz YUBWOORAJPNPGM-QWRGUYRKSA-N 1 2 328.225 3.514 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000175375887 1036356200 /nfs/dbraw/zinc/35/62/00/1036356200.db2.gz YOBAFEUFYUJQRM-JKSUJKDBSA-N 1 2 340.471 3.981 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1Cl ZINC000666216865 1036374806 /nfs/dbraw/zinc/37/48/06/1036374806.db2.gz DLPJZWUUUODJNI-CHWSQXEVSA-N 1 2 333.819 3.603 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOCCC(C)C)n1 ZINC000191442951 1036384724 /nfs/dbraw/zinc/38/47/24/1036384724.db2.gz BRDPIMIDLAGSCG-OAHLLOKOSA-N 1 2 340.489 3.519 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOCCC(C)C)n1 ZINC000191442951 1036384745 /nfs/dbraw/zinc/38/47/45/1036384745.db2.gz BRDPIMIDLAGSCG-OAHLLOKOSA-N 1 2 340.489 3.519 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[S@]1=O ZINC000191502930 1036397200 /nfs/dbraw/zinc/39/72/00/1036397200.db2.gz REYZCIJCYPCOCO-HSZRJFAPSA-N 1 2 335.513 3.599 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[S@]1=O ZINC000191502930 1036397213 /nfs/dbraw/zinc/39/72/13/1036397213.db2.gz REYZCIJCYPCOCO-HSZRJFAPSA-N 1 2 335.513 3.599 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000191571525 1036416281 /nfs/dbraw/zinc/41/62/81/1036416281.db2.gz PBXSBTQHCGKRGB-LBPRGKRZSA-N 1 2 325.416 3.608 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2oc(C)nc2C)c(Br)c1 ZINC001168446713 1036430817 /nfs/dbraw/zinc/43/08/17/1036430817.db2.gz CATHPXWWURNVFD-SECBINFHSA-N 1 2 339.233 3.913 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)c(F)c1)Cc1nccn1C(F)F ZINC000191935607 1036444525 /nfs/dbraw/zinc/44/45/25/1036444525.db2.gz QCQBNPGOELWXQN-UHFFFAOYSA-N 1 2 333.741 3.582 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)c(F)c1)Cc1nccn1C(F)F ZINC000191935607 1036444538 /nfs/dbraw/zinc/44/45/38/1036444538.db2.gz QCQBNPGOELWXQN-UHFFFAOYSA-N 1 2 333.741 3.582 20 0 EHADLO CC(C)c1cccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000572629908 1036457048 /nfs/dbraw/zinc/45/70/48/1036457048.db2.gz XZNRFFIEHPWUEN-UHFFFAOYSA-N 1 2 349.438 3.772 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000572717937 1036469173 /nfs/dbraw/zinc/46/91/73/1036469173.db2.gz LWPNNYHASLWZHI-FQEVSTJZSA-N 1 2 344.462 3.840 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000572717937 1036469185 /nfs/dbraw/zinc/46/91/85/1036469185.db2.gz LWPNNYHASLWZHI-FQEVSTJZSA-N 1 2 344.462 3.840 20 0 EHADLO CC(C)c1cccc(CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000457765645 1036470020 /nfs/dbraw/zinc/47/00/20/1036470020.db2.gz UAOKWXYFLBZTKU-UHFFFAOYSA-N 1 2 325.456 3.544 20 0 EHADLO COc1ccc(Cl)c(NC(=S)Nc2cc(N(C)C)cc[nH+]2)c1 ZINC000783764267 1036507388 /nfs/dbraw/zinc/50/73/88/1036507388.db2.gz SXJYXKJZDCHTFB-UHFFFAOYSA-N 1 2 336.848 3.619 20 0 EHADLO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)C(C)C ZINC000464499198 1036512946 /nfs/dbraw/zinc/51/29/46/1036512946.db2.gz RRULHHKFRHPXTI-KRWDZBQOSA-N 1 2 341.459 3.970 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332904513 1036518060 /nfs/dbraw/zinc/51/80/60/1036518060.db2.gz QNPFTIYLEZRJGT-HOTGVXAUSA-N 1 2 330.476 3.802 20 0 EHADLO C[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCCCC1 ZINC000192633898 1036518401 /nfs/dbraw/zinc/51/84/01/1036518401.db2.gz JHYJOFLAAJODTQ-UHFFFAOYSA-N 1 2 344.484 3.945 20 0 EHADLO C[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCCCC1 ZINC000192633898 1036518413 /nfs/dbraw/zinc/51/84/13/1036518413.db2.gz JHYJOFLAAJODTQ-UHFFFAOYSA-N 1 2 344.484 3.945 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000192508040 1036523408 /nfs/dbraw/zinc/52/34/08/1036523408.db2.gz XDNYHFPGVOLRNK-KCQAQPDRSA-N 1 2 331.485 3.736 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000192508040 1036523417 /nfs/dbraw/zinc/52/34/17/1036523417.db2.gz XDNYHFPGVOLRNK-KCQAQPDRSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000464544612 1036536701 /nfs/dbraw/zinc/53/67/01/1036536701.db2.gz NZUYDXRDDIGGRP-KURKYZTESA-N 1 2 344.503 3.979 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000192776145 1036547227 /nfs/dbraw/zinc/54/72/27/1036547227.db2.gz IWPIHGLSYOYUJV-UHFFFAOYSA-N 1 2 347.393 3.941 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000032509296 1036548328 /nfs/dbraw/zinc/54/83/28/1036548328.db2.gz MSKVHKSZLMUBKV-UHFFFAOYSA-N 1 2 336.804 3.749 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000032509296 1036548372 /nfs/dbraw/zinc/54/83/72/1036548372.db2.gz MSKVHKSZLMUBKV-UHFFFAOYSA-N 1 2 336.804 3.749 20 0 EHADLO c1ccc(CC[C@H]2CCC[C@H]2[NH2+]Cc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000414305526 1036557768 /nfs/dbraw/zinc/55/77/68/1036557768.db2.gz NMGMTGPHSFLXIY-IEBWSBKVSA-N 1 2 347.466 3.758 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+]C3CCC4(CCCO4)CC3)cc2)CCO1 ZINC000376407587 1036568843 /nfs/dbraw/zinc/56/88/43/1036568843.db2.gz ISVXAAMEGJJXPV-VQSBYGRUSA-N 1 2 330.472 3.815 20 0 EHADLO Cc1ccccc1Cc1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000175905281 1036608253 /nfs/dbraw/zinc/60/82/53/1036608253.db2.gz RLOWQBZCUPPKSR-UHFFFAOYSA-N 1 2 346.390 3.734 20 0 EHADLO O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491250371 1036656754 /nfs/dbraw/zinc/65/67/54/1036656754.db2.gz RIFQCKLWVDUKFV-BQYQJAHWSA-N 1 2 348.337 3.805 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2scnc2C(C)(C)C)c1C ZINC000176682809 1036676018 /nfs/dbraw/zinc/67/60/18/1036676018.db2.gz BTIMFHCGADXDII-UHFFFAOYSA-N 1 2 347.484 3.733 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)sc2nccc(C)c12 ZINC000589955207 1036680241 /nfs/dbraw/zinc/68/02/41/1036680241.db2.gz ISUDSIQCCHJSQM-ZDUSSCGKSA-N 1 2 340.452 3.656 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000589957865 1036680326 /nfs/dbraw/zinc/68/03/26/1036680326.db2.gz WRRCZBZCKFFOEY-LBPRGKRZSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1ccc(-c2noc(C[NH+]3CCC(Nc4ccccn4)CC3)n2)cc1 ZINC000535574640 1036689533 /nfs/dbraw/zinc/68/95/33/1036689533.db2.gz UFULYIQOGOKFAJ-UHFFFAOYSA-N 1 2 349.438 3.517 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)c(OC)c1 ZINC000302734833 1036697663 /nfs/dbraw/zinc/69/76/63/1036697663.db2.gz BXMXWKXEEZZRKZ-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c(OC)c1 ZINC000302734833 1036697667 /nfs/dbraw/zinc/69/76/67/1036697667.db2.gz BXMXWKXEEZZRKZ-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO CCc1ccc(C(C)(C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001126673003 1036703437 /nfs/dbraw/zinc/70/34/37/1036703437.db2.gz CCJYADGSZHRUCN-UHFFFAOYSA-N 1 2 335.451 3.913 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000170821251 1036732357 /nfs/dbraw/zinc/73/23/57/1036732357.db2.gz VQNNKBIRTIWCNU-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000170821251 1036732362 /nfs/dbraw/zinc/73/23/62/1036732362.db2.gz VQNNKBIRTIWCNU-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cn1 ZINC000544467941 1036736983 /nfs/dbraw/zinc/73/69/83/1036736983.db2.gz GAPQOOBUBFKSCR-LLVKDONJSA-N 1 2 345.834 3.617 20 0 EHADLO CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000102650643 1036738306 /nfs/dbraw/zinc/73/83/06/1036738306.db2.gz DZWQGMFKNQPVTB-IBGZPJMESA-N 1 2 328.843 3.594 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ncccc3-c3ccccc3)[nH+]c12 ZINC000541877073 1036750383 /nfs/dbraw/zinc/75/03/83/1036750383.db2.gz OEYLXLNJTGQJCS-UHFFFAOYSA-N 1 2 342.402 3.886 20 0 EHADLO Cc1nnc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)s1 ZINC000541882229 1036758186 /nfs/dbraw/zinc/75/81/86/1036758186.db2.gz RLEJHNJLXOSVLN-MRXNPFEDSA-N 1 2 329.469 3.729 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789203 1036790707 /nfs/dbraw/zinc/79/07/07/1036790707.db2.gz NXKSKDHZOBQUIR-CJNGLKHVSA-N 1 2 340.558 3.779 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789203 1036790725 /nfs/dbraw/zinc/79/07/25/1036790725.db2.gz NXKSKDHZOBQUIR-CJNGLKHVSA-N 1 2 340.558 3.779 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791860 1036804620 /nfs/dbraw/zinc/80/46/20/1036804620.db2.gz VJIXVRVLFDGQOK-BBRMVZONSA-N 1 2 338.904 3.663 20 0 EHADLO CC[C@H]1C[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791860 1036804641 /nfs/dbraw/zinc/80/46/41/1036804641.db2.gz VJIXVRVLFDGQOK-BBRMVZONSA-N 1 2 338.904 3.663 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c(Cl)c1 ZINC000177415269 1036840134 /nfs/dbraw/zinc/84/01/34/1036840134.db2.gz HKPYKKAUGCQFBF-GJZGRUSLSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c(Cl)c1 ZINC000177415269 1036840148 /nfs/dbraw/zinc/84/01/48/1036840148.db2.gz HKPYKKAUGCQFBF-GJZGRUSLSA-N 1 2 338.879 3.722 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177692508 1036912340 /nfs/dbraw/zinc/91/23/40/1036912340.db2.gz WZTROLAILFBMGN-LJQANCHMSA-N 1 2 330.447 3.538 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c1C ZINC000464864347 1036920110 /nfs/dbraw/zinc/92/01/10/1036920110.db2.gz KYRQJRDJROOMIT-UHFFFAOYSA-N 1 2 339.414 3.906 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nc3c(s2)CCC3)c(C)[nH+]1 ZINC000572937759 1036921719 /nfs/dbraw/zinc/92/17/19/1036921719.db2.gz BSPJCHBHWDOMCT-GFCCVEGCSA-N 1 2 330.457 3.835 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000541981153 1036942429 /nfs/dbraw/zinc/94/24/29/1036942429.db2.gz RIUNSUDLNKKLJA-LJQANCHMSA-N 1 2 338.476 3.866 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000178075818 1036993814 /nfs/dbraw/zinc/99/38/14/1036993814.db2.gz WLWBNQMIZUJXAV-SFHVURJKSA-N 1 2 348.487 3.793 20 0 EHADLO CC1(C)C[C@@]1(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000666420369 1037004421 /nfs/dbraw/zinc/00/44/21/1037004421.db2.gz AVJZKVXKYAUWNA-QFIPXVFZSA-N 1 2 349.478 3.535 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590725867 1037005295 /nfs/dbraw/zinc/00/52/95/1037005295.db2.gz YQOIBOMUNICOKM-RBUKOAKNSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590725866 1037005381 /nfs/dbraw/zinc/00/53/81/1037005381.db2.gz YQOIBOMUNICOKM-OALUTQOASA-N 1 2 325.456 3.877 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727728 1037007058 /nfs/dbraw/zinc/00/70/58/1037007058.db2.gz GFOCQYFYNZSAHB-ZDUSSCGKSA-N 1 2 342.830 3.506 20 0 EHADLO CC(C)c1ccc(CC2CC[NH+](Cc3nnnn3C3CC3)CC2)cc1 ZINC000462469936 1037014107 /nfs/dbraw/zinc/01/41/07/1037014107.db2.gz CJMDUVYMOMSBRC-UHFFFAOYSA-N 1 2 339.487 3.586 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000414366043 1037016659 /nfs/dbraw/zinc/01/66/59/1037016659.db2.gz AQIRXYMYXTUTMN-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000414366043 1037016676 /nfs/dbraw/zinc/01/66/76/1037016676.db2.gz AQIRXYMYXTUTMN-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1occc1C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000414366510 1037022015 /nfs/dbraw/zinc/02/20/15/1037022015.db2.gz CCAAQQIUMWIDEW-UHFFFAOYSA-N 1 2 333.501 3.660 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590730966 1037031504 /nfs/dbraw/zinc/03/15/04/1037031504.db2.gz JATVFZBTNSLDFZ-AWEZNQCLSA-N 1 2 338.238 3.596 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729792 1037032802 /nfs/dbraw/zinc/03/28/02/1037032802.db2.gz ZBXUQMIAHORFFB-YESZJQIVSA-N 1 2 329.831 3.504 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590730231 1037032885 /nfs/dbraw/zinc/03/28/85/1037032885.db2.gz SZXBVVJBBYDYOR-KRWDZBQOSA-N 1 2 331.847 3.723 20 0 EHADLO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000248903295 1037044793 /nfs/dbraw/zinc/04/47/93/1037044793.db2.gz VMEYBPDNSMOILR-CHWSQXEVSA-N 1 2 339.277 3.898 20 0 EHADLO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000248903295 1037044813 /nfs/dbraw/zinc/04/48/13/1037044813.db2.gz VMEYBPDNSMOILR-CHWSQXEVSA-N 1 2 339.277 3.898 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1=NO[C@H](c2ccccc2)C1 ZINC000162830075 1037051463 /nfs/dbraw/zinc/05/14/63/1037051463.db2.gz BOJBACHEXWQSAL-KRWDZBQOSA-N 1 2 332.363 3.533 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549078090 1037061482 /nfs/dbraw/zinc/06/14/82/1037061482.db2.gz MASBEQGPNYHDLX-VIFPVBQESA-N 1 2 346.349 3.902 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549078090 1037061501 /nfs/dbraw/zinc/06/15/01/1037061501.db2.gz MASBEQGPNYHDLX-VIFPVBQESA-N 1 2 346.349 3.902 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CC3)n2)C1 ZINC000590798779 1037062243 /nfs/dbraw/zinc/06/22/43/1037062243.db2.gz NKIWFWQAXLZODJ-CJNGLKHVSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CC3)n2)C1 ZINC000590798779 1037062261 /nfs/dbraw/zinc/06/22/61/1037062261.db2.gz NKIWFWQAXLZODJ-CJNGLKHVSA-N 1 2 348.516 3.781 20 0 EHADLO CCOC(=O)CCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000590836133 1037072040 /nfs/dbraw/zinc/07/20/40/1037072040.db2.gz UGINUWAPEZWJQE-UHFFFAOYSA-N 1 2 347.459 3.594 20 0 EHADLO Cc1cc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc[nH+]1 ZINC000104827834 1037110551 /nfs/dbraw/zinc/11/05/51/1037110551.db2.gz TZTGQYJEBVYKBQ-UHFFFAOYSA-N 1 2 345.402 3.919 20 0 EHADLO CC(=O)c1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1C ZINC000573017844 1037157532 /nfs/dbraw/zinc/15/75/32/1037157532.db2.gz RTFLWKLPGCDCDZ-KRWDZBQOSA-N 1 2 345.468 3.684 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000666508722 1037159949 /nfs/dbraw/zinc/15/99/49/1037159949.db2.gz QYOVPDJNCPXEGU-ZHALLVOQSA-N 1 2 341.430 3.710 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000783784582 1037189812 /nfs/dbraw/zinc/18/98/12/1037189812.db2.gz GERFMHFHPOGZTA-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000783784582 1037189818 /nfs/dbraw/zinc/18/98/18/1037189818.db2.gz GERFMHFHPOGZTA-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493288467 1037222521 /nfs/dbraw/zinc/22/25/21/1037222521.db2.gz NPRGRDZDXOOOQU-VOTSOKGWSA-N 1 2 337.345 3.879 20 0 EHADLO CN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000493323099 1037257527 /nfs/dbraw/zinc/25/75/27/1037257527.db2.gz OFMKIHGFAGYDIC-DAXSKMNVSA-N 1 2 345.393 3.922 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000591186130 1037266742 /nfs/dbraw/zinc/26/67/42/1037266742.db2.gz WJYWMBVZYKJFSD-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO CN(C)c1ccc(NCc2cccc(OCC(F)(F)F)c2)c[nH+]1 ZINC000162960079 1037290791 /nfs/dbraw/zinc/29/07/91/1037290791.db2.gz QSTMDDDAQIZWNF-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000666605308 1037312299 /nfs/dbraw/zinc/31/22/99/1037312299.db2.gz OKFSWXVBXFJQPX-BRWVUGGUSA-N 1 2 343.446 3.956 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000043141517 1037353962 /nfs/dbraw/zinc/35/39/62/1037353962.db2.gz SEERHZVAZYAASM-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CC(C)(C)SCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301146071 1037358806 /nfs/dbraw/zinc/35/88/06/1037358806.db2.gz JPOBDWHTMHLLJX-UHFFFAOYSA-N 1 2 327.457 3.759 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)CCCCc2ccccc2)cs1 ZINC000053084049 1037376994 /nfs/dbraw/zinc/37/69/94/1037376994.db2.gz ZLSZVRHAAXOKNJ-UHFFFAOYSA-N 1 2 332.469 3.775 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)CCCCc2ccccc2)cs1 ZINC000053084049 1037377008 /nfs/dbraw/zinc/37/70/08/1037377008.db2.gz ZLSZVRHAAXOKNJ-UHFFFAOYSA-N 1 2 332.469 3.775 20 0 EHADLO CCC(CC)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000591402329 1037404348 /nfs/dbraw/zinc/40/43/48/1037404348.db2.gz WGAQBCLTAMBGTH-ZDUSSCGKSA-N 1 2 338.521 3.933 20 0 EHADLO CCC(CC)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000591402329 1037404360 /nfs/dbraw/zinc/40/43/60/1037404360.db2.gz WGAQBCLTAMBGTH-ZDUSSCGKSA-N 1 2 338.521 3.933 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591451211 1037410882 /nfs/dbraw/zinc/41/08/82/1037410882.db2.gz XLYQWZNNDAAWLH-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO O=C(/C=C/C1CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000493541008 1037463211 /nfs/dbraw/zinc/46/32/11/1037463211.db2.gz BGMMJCAEGDGGDA-MDZDMXLPSA-N 1 2 325.412 3.647 20 0 EHADLO CC1(c2cccc(Cl)c2)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493582053 1037470837 /nfs/dbraw/zinc/47/08/37/1037470837.db2.gz KEISVHOMCHMVQE-AATRIKPKSA-N 1 2 329.831 3.657 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491449286 1037480078 /nfs/dbraw/zinc/48/00/78/1037480078.db2.gz ONBPRYYRJGQCQV-LENZSSGSSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491479297 1037496867 /nfs/dbraw/zinc/49/68/67/1037496867.db2.gz QKBFUNQVOWDKFW-AFNCTOJWSA-N 1 2 349.356 3.848 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507588 1037592285 /nfs/dbraw/zinc/59/22/85/1037592285.db2.gz LYBSAPGNSFUSBE-OALUTQOASA-N 1 2 331.456 3.560 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507588 1037592301 /nfs/dbraw/zinc/59/23/01/1037592301.db2.gz LYBSAPGNSFUSBE-OALUTQOASA-N 1 2 331.456 3.560 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccsc3)CC2)cc1 ZINC000157451925 1037594905 /nfs/dbraw/zinc/59/49/05/1037594905.db2.gz OMCHNBPUBZGSPX-UHFFFAOYSA-N 1 2 344.484 3.605 20 0 EHADLO Cc1ccc(C[N@H+](C)Cn2c(Cc3cccs3)n[nH]c2=S)cc1 ZINC000058204877 1037605944 /nfs/dbraw/zinc/60/59/44/1037605944.db2.gz OPOQVGYTXMFWNT-UHFFFAOYSA-N 1 2 344.509 3.991 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cn2c(Cc3cccs3)n[nH]c2=S)cc1 ZINC000058204877 1037605953 /nfs/dbraw/zinc/60/59/53/1037605953.db2.gz OPOQVGYTXMFWNT-UHFFFAOYSA-N 1 2 344.509 3.991 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000282096347 1037619922 /nfs/dbraw/zinc/61/99/22/1037619922.db2.gz CWHMNEZPGQMLGT-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000029951567 1037738554 /nfs/dbraw/zinc/73/85/54/1037738554.db2.gz YWNPCWWZEQXULS-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO O=C(CCCC1CCCC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000463141277 1037805494 /nfs/dbraw/zinc/80/54/94/1037805494.db2.gz JMJWUDIUGRTWEM-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494118071 1037839307 /nfs/dbraw/zinc/83/93/07/1037839307.db2.gz ZFNQALGDVJVXIY-WDEREUQCSA-N 1 2 330.856 3.634 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCS[C@@H](C)CC1 ZINC000494118071 1037839325 /nfs/dbraw/zinc/83/93/25/1037839325.db2.gz ZFNQALGDVJVXIY-WDEREUQCSA-N 1 2 330.856 3.634 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000463188862 1037856148 /nfs/dbraw/zinc/85/61/48/1037856148.db2.gz FCWGFAUIBYKMKY-NSHDSACASA-N 1 2 347.311 3.638 20 0 EHADLO O=C(N[C@H]1CCCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000117640139 1037858182 /nfs/dbraw/zinc/85/81/82/1037858182.db2.gz GLFJHKSTFHURMX-SFHVURJKSA-N 1 2 333.391 3.516 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117748368 1037861597 /nfs/dbraw/zinc/86/15/97/1037861597.db2.gz NOOHKNVNZJKHKY-HXUWFJFHSA-N 1 2 347.418 3.858 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084654 1037864882 /nfs/dbraw/zinc/86/48/82/1037864882.db2.gz MJGDXSKDYVQGHP-QGZVFWFLSA-N 1 2 329.469 3.687 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084654 1037864897 /nfs/dbraw/zinc/86/48/97/1037864897.db2.gz MJGDXSKDYVQGHP-QGZVFWFLSA-N 1 2 329.469 3.687 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000471015863 1037925397 /nfs/dbraw/zinc/92/53/97/1037925397.db2.gz AOFIFLUONXGEGY-UHFFFAOYSA-N 1 2 347.484 3.765 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000471015863 1037925409 /nfs/dbraw/zinc/92/54/09/1037925409.db2.gz AOFIFLUONXGEGY-UHFFFAOYSA-N 1 2 347.484 3.765 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1cccs1 ZINC000540470859 1037999885 /nfs/dbraw/zinc/99/98/85/1037999885.db2.gz JQSBBEYULXQQFJ-LSDHHAIUSA-N 1 2 346.471 3.896 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cs1 ZINC000336869952 1038025420 /nfs/dbraw/zinc/02/54/20/1038025420.db2.gz GICMPWGPKJHNME-XNJGSVPQSA-N 1 2 332.469 3.675 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cs1 ZINC000336869952 1038025441 /nfs/dbraw/zinc/02/54/41/1038025441.db2.gz GICMPWGPKJHNME-XNJGSVPQSA-N 1 2 332.469 3.675 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OC(C)(C)C ZINC001168248706 1038108697 /nfs/dbraw/zinc/10/86/97/1038108697.db2.gz ONSWFWVZFDDMSX-OWQGQXMQSA-N 1 2 333.472 3.508 20 0 EHADLO OC[C@H]1C[C@@H](Nc2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)C1 ZINC001168247675 1038123283 /nfs/dbraw/zinc/12/32/83/1038123283.db2.gz ROUUBNQRGCQSNJ-DRQUAOQDSA-N 1 2 327.815 3.838 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(OCCF)c2)c1 ZINC000124121603 1038139957 /nfs/dbraw/zinc/13/99/57/1038139957.db2.gz AVZXQFRXFYUSIH-UHFFFAOYSA-N 1 2 339.370 3.781 20 0 EHADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000378180120 1038151738 /nfs/dbraw/zinc/15/17/38/1038151738.db2.gz QLPNMLYHJJNFJM-QGZVFWFLSA-N 1 2 342.439 3.689 20 0 EHADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000378180120 1038151744 /nfs/dbraw/zinc/15/17/44/1038151744.db2.gz QLPNMLYHJJNFJM-QGZVFWFLSA-N 1 2 342.439 3.689 20 0 EHADLO Cc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042464684 1038224292 /nfs/dbraw/zinc/22/42/92/1038224292.db2.gz GEEUMIMQVHKIOY-UHFFFAOYSA-N 1 2 339.464 3.501 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000106879319 1038241978 /nfs/dbraw/zinc/24/19/78/1038241978.db2.gz YKZXXULPXJNCBV-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000106879319 1038241990 /nfs/dbraw/zinc/24/19/90/1038241990.db2.gz YKZXXULPXJNCBV-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO CC[C@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124927894 1038254293 /nfs/dbraw/zinc/25/42/93/1038254293.db2.gz PBXRNIWJZHEZJR-FUHWJXTLSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000043142727 1038290968 /nfs/dbraw/zinc/29/09/68/1038290968.db2.gz SUXPIESRCBBOEV-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Cc1cn2cc(NC(=O)CCCOc3cccc(F)c3)ccc2[nH+]1 ZINC000339118188 1038342008 /nfs/dbraw/zinc/34/20/08/1038342008.db2.gz YIYGMZUVQUGULA-UHFFFAOYSA-N 1 2 327.359 3.580 20 0 EHADLO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000538523607 1038345902 /nfs/dbraw/zinc/34/59/02/1038345902.db2.gz GCOOQWKPDQNKQO-CQSZACIVSA-N 1 2 347.422 3.822 20 0 EHADLO C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccnc1 ZINC000378279560 1038359182 /nfs/dbraw/zinc/35/91/82/1038359182.db2.gz IWOBRKGDVPBLPK-HNNXBMFYSA-N 1 2 344.418 3.739 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001168359160 1038383253 /nfs/dbraw/zinc/38/32/53/1038383253.db2.gz OOQYVWGWAWXYHA-OFAQMXQXSA-N 1 2 341.455 3.625 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)c(C)[nH+]1 ZINC000667118885 1038446869 /nfs/dbraw/zinc/44/68/69/1038446869.db2.gz ACEKIOGCLVJUBS-SJORKVTESA-N 1 2 331.460 3.820 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c(C)[nH+]1 ZINC000667119135 1038457359 /nfs/dbraw/zinc/45/73/59/1038457359.db2.gz JXRVBZSTYLAMEG-MOPGFXCFSA-N 1 2 341.455 3.887 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)ccc1Oc1cccnc1 ZINC000538722809 1038493122 /nfs/dbraw/zinc/49/31/22/1038493122.db2.gz RJEJXORTNOHBJF-MRXNPFEDSA-N 1 2 342.439 3.954 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)ccc1Oc1cccnc1 ZINC000538722809 1038493126 /nfs/dbraw/zinc/49/31/26/1038493126.db2.gz RJEJXORTNOHBJF-MRXNPFEDSA-N 1 2 342.439 3.954 20 0 EHADLO CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(C)[nH+]cc1C)CCC2 ZINC000378354043 1038505994 /nfs/dbraw/zinc/50/59/94/1038505994.db2.gz HXIQKVFVPNMOEJ-OAHLLOKOSA-N 1 2 344.484 3.681 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000538750760 1038516100 /nfs/dbraw/zinc/51/61/00/1038516100.db2.gz XCBZOHMRPLSLTF-HXUWFJFHSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000538750760 1038516114 /nfs/dbraw/zinc/51/61/14/1038516114.db2.gz XCBZOHMRPLSLTF-HXUWFJFHSA-N 1 2 333.435 3.959 20 0 EHADLO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000667175296 1038618495 /nfs/dbraw/zinc/61/84/95/1038618495.db2.gz FUTRSYXYRSULSU-NUJGCVRESA-N 1 2 332.492 3.692 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCC2(CC2)CC1 ZINC000667173695 1038621077 /nfs/dbraw/zinc/62/10/77/1038621077.db2.gz QIXYBJFHXRLEIO-UHFFFAOYSA-N 1 2 327.403 3.598 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H]2CC2(C)C)c(C)c1 ZINC000584565708 1038626173 /nfs/dbraw/zinc/62/61/73/1038626173.db2.gz PIPZTCHYULXTDO-MSOLQXFVSA-N 1 2 340.471 3.681 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1OC ZINC000182796940 1038638733 /nfs/dbraw/zinc/63/87/33/1038638733.db2.gz IBPGIXOVPDZOBP-CYBMUJFWSA-N 1 2 344.459 3.720 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000659999507 1038661455 /nfs/dbraw/zinc/66/14/55/1038661455.db2.gz BGDQRXHXNBOMKJ-KRWDZBQOSA-N 1 2 335.494 3.922 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000659999507 1038661458 /nfs/dbraw/zinc/66/14/58/1038661458.db2.gz BGDQRXHXNBOMKJ-KRWDZBQOSA-N 1 2 335.494 3.922 20 0 EHADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000378483738 1038661569 /nfs/dbraw/zinc/66/15/69/1038661569.db2.gz QTIHBLMDDRLWSI-LJQANCHMSA-N 1 2 334.423 3.721 20 0 EHADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000378483738 1038661574 /nfs/dbraw/zinc/66/15/74/1038661574.db2.gz QTIHBLMDDRLWSI-LJQANCHMSA-N 1 2 334.423 3.721 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccn(C)n2)c(OCCC)c1 ZINC000539063912 1038662774 /nfs/dbraw/zinc/66/27/74/1038662774.db2.gz ZKXSNHKEFWPQGG-OAHLLOKOSA-N 1 2 331.460 3.849 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc(OC)c1 ZINC000539119097 1038695556 /nfs/dbraw/zinc/69/55/56/1038695556.db2.gz OIGOHYCQANURHB-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc(OC)c1 ZINC000539119097 1038695559 /nfs/dbraw/zinc/69/55/59/1038695559.db2.gz OIGOHYCQANURHB-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)n2)ccc1OC1CCCC1 ZINC000924688564 1038735252 /nfs/dbraw/zinc/73/52/52/1038735252.db2.gz OVVMHTHYVCMZKS-KBPBESRZSA-N 1 2 344.459 3.557 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1c(F)cccc1F ZINC000539228562 1038740017 /nfs/dbraw/zinc/74/00/17/1038740017.db2.gz ANWDQDGFUNDLIC-GFCCVEGCSA-N 1 2 330.378 3.743 20 0 EHADLO O=C(CCc1ccc(F)cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035814 1038769812 /nfs/dbraw/zinc/76/98/12/1038769812.db2.gz JBZSZTBJLNXNIC-IYARVYRRSA-N 1 2 341.430 3.693 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1nccc2ccccc21 ZINC000552035044 1038769896 /nfs/dbraw/zinc/76/98/96/1038769896.db2.gz FFBUOJPALOMISW-QAQDUYKDSA-N 1 2 346.434 3.783 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2c2noc(C3CC3)n2)c2c([nH+]1)CCCC2 ZINC000378616594 1038775218 /nfs/dbraw/zinc/77/52/18/1038775218.db2.gz CXYJZEJMTPLSNV-MRXNPFEDSA-N 1 2 339.443 3.656 20 0 EHADLO CC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)c2ccccc21 ZINC000378629318 1038782113 /nfs/dbraw/zinc/78/21/13/1038782113.db2.gz UKPOQXKTSATZHA-SFHVURJKSA-N 1 2 336.439 3.574 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000667567314 1038785408 /nfs/dbraw/zinc/78/54/08/1038785408.db2.gz VOVFWIPVKDZOEB-QAPCUYQASA-N 1 2 329.444 3.551 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000667567314 1038785431 /nfs/dbraw/zinc/78/54/31/1038785431.db2.gz VOVFWIPVKDZOEB-QAPCUYQASA-N 1 2 329.444 3.551 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786308 /nfs/dbraw/zinc/78/63/08/1038786308.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 1 2 337.939 3.653 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786325 /nfs/dbraw/zinc/78/63/25/1038786325.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 1 2 337.939 3.653 20 0 EHADLO CCC[N@H+](Cc1ccnn1CC1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000667567438 1038787417 /nfs/dbraw/zinc/78/74/17/1038787417.db2.gz ZEWJNEYVSOWNNF-INIZCTEOSA-N 1 2 340.471 3.532 20 0 EHADLO CCC[N@@H+](Cc1ccnn1CC1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000667567438 1038787431 /nfs/dbraw/zinc/78/74/31/1038787431.db2.gz ZEWJNEYVSOWNNF-INIZCTEOSA-N 1 2 340.471 3.532 20 0 EHADLO CCC1(CC(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)COC1 ZINC000905312494 1038788709 /nfs/dbraw/zinc/78/87/09/1038788709.db2.gz HNLIUMNMDMGPJZ-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO COc1ccccc1Nc1nn(C[N@@H+]2CCC[C@@H]2C)c(=S)s1 ZINC000173518448 1038797224 /nfs/dbraw/zinc/79/72/24/1038797224.db2.gz UAWGFCXHBRFMRA-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO COc1ccccc1Nc1nn(C[N@H+]2CCC[C@@H]2C)c(=S)s1 ZINC000173518448 1038797240 /nfs/dbraw/zinc/79/72/40/1038797240.db2.gz UAWGFCXHBRFMRA-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3C[C@H](CO)OC[C@H]3C)s2)cc1 ZINC000485250499 1038828462 /nfs/dbraw/zinc/82/84/62/1038828462.db2.gz ZSKROFBYORHYGO-RHSMWYFYSA-N 1 2 346.496 3.515 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3C[C@H](CO)OC[C@H]3C)s2)cc1 ZINC000485250499 1038828488 /nfs/dbraw/zinc/82/84/88/1038828488.db2.gz ZSKROFBYORHYGO-RHSMWYFYSA-N 1 2 346.496 3.515 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)c2ccccc2)cn1 ZINC000378653559 1038836232 /nfs/dbraw/zinc/83/62/32/1038836232.db2.gz WUNPGLRHRJZOSK-FQEVSTJZSA-N 1 2 343.434 3.689 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651398158 1038846215 /nfs/dbraw/zinc/84/62/15/1038846215.db2.gz INHSCUOSNRUZSP-KSSFIOAISA-N 1 2 341.430 3.511 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000668454392 1038848898 /nfs/dbraw/zinc/84/88/98/1038848898.db2.gz FZKHSGMHUSYCRD-MDZRGWNJSA-N 1 2 348.450 3.759 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCC[C@H]1C ZINC000488102719 1038860510 /nfs/dbraw/zinc/86/05/10/1038860510.db2.gz HKHASTUDYCDUIB-SJLPKXTDSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCC[C@H]1C ZINC000488102719 1038860536 /nfs/dbraw/zinc/86/05/36/1038860536.db2.gz HKHASTUDYCDUIB-SJLPKXTDSA-N 1 2 343.471 3.606 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2oc(SC)cc2C)c1C ZINC000667576114 1038890107 /nfs/dbraw/zinc/89/01/07/1038890107.db2.gz DODAQTYXJDHSNT-UHFFFAOYSA-N 1 2 334.441 3.603 20 0 EHADLO CCCCOc1ccc(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001211717224 1038914921 /nfs/dbraw/zinc/91/49/21/1038914921.db2.gz UCIUDZDSMIKKGI-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000488166516 1038929571 /nfs/dbraw/zinc/92/95/71/1038929571.db2.gz UPUHLPSZCBYXDC-GFCCVEGCSA-N 1 2 327.457 3.581 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000488169253 1038931023 /nfs/dbraw/zinc/93/10/23/1038931023.db2.gz RRQRYIZARTZDDC-QGZVFWFLSA-N 1 2 348.441 3.921 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000488169253 1038931042 /nfs/dbraw/zinc/93/10/42/1038931042.db2.gz RRQRYIZARTZDDC-QGZVFWFLSA-N 1 2 348.441 3.921 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC2(C1)CCCCCC2 ZINC000651405396 1038994412 /nfs/dbraw/zinc/99/44/12/1038994412.db2.gz PAWWGPUYUXWIMG-UHFFFAOYSA-N 1 2 329.488 3.725 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753496 1039036163 /nfs/dbraw/zinc/03/61/63/1039036163.db2.gz CZHIZFCFNDBEFK-SMDDNHRTSA-N 1 2 348.365 3.713 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753496 1039036188 /nfs/dbraw/zinc/03/61/88/1039036188.db2.gz CZHIZFCFNDBEFK-SMDDNHRTSA-N 1 2 348.365 3.713 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554191208 1039039097 /nfs/dbraw/zinc/03/90/97/1039039097.db2.gz FARUQUUEGBINNL-NWDGAFQWSA-N 1 2 328.334 3.932 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554191208 1039039117 /nfs/dbraw/zinc/03/91/17/1039039117.db2.gz FARUQUUEGBINNL-NWDGAFQWSA-N 1 2 328.334 3.932 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749949 1039040791 /nfs/dbraw/zinc/04/07/91/1039040791.db2.gz AWLCHIIQPUNALZ-PSASIEDQSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749949 1039040804 /nfs/dbraw/zinc/04/08/04/1039040804.db2.gz AWLCHIIQPUNALZ-PSASIEDQSA-N 1 2 333.297 3.655 20 0 EHADLO CC[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)CC(F)(F)F ZINC000416792103 1039046706 /nfs/dbraw/zinc/04/67/06/1039046706.db2.gz KWPDCONFNCEFEM-NSHDSACASA-N 1 2 328.338 3.743 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916335 1039048296 /nfs/dbraw/zinc/04/82/96/1039048296.db2.gz VYSFIPDNTCYCCU-WCQYABFASA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916335 1039048310 /nfs/dbraw/zinc/04/83/10/1039048310.db2.gz VYSFIPDNTCYCCU-WCQYABFASA-N 1 2 345.270 3.557 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)s1 ZINC000488343416 1039123048 /nfs/dbraw/zinc/12/30/48/1039123048.db2.gz AOKVZWQVVDPPMW-UHFFFAOYSA-N 1 2 344.459 3.648 20 0 EHADLO CC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(C)c1 ZINC000488407621 1039141350 /nfs/dbraw/zinc/14/13/50/1039141350.db2.gz NKSJDKOTEJLMFZ-IBGZPJMESA-N 1 2 349.434 3.768 20 0 EHADLO CCCn1nccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614056810 1039197017 /nfs/dbraw/zinc/19/70/17/1039197017.db2.gz WBORZZZVYLBUOP-UHFFFAOYSA-N 1 2 349.438 3.745 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000488464895 1039207720 /nfs/dbraw/zinc/20/77/20/1039207720.db2.gz NOPDIYBWLWJCTC-JZXOWHBKSA-N 1 2 341.503 3.633 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000554312264 1039216077 /nfs/dbraw/zinc/21/60/77/1039216077.db2.gz KEOYWPSVZNQFMJ-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000554312264 1039216089 /nfs/dbraw/zinc/21/60/89/1039216089.db2.gz KEOYWPSVZNQFMJ-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO CCCOc1cccc2c(NCC3(COC)CCOCC3)cc[nH+]c12 ZINC000488506047 1039232076 /nfs/dbraw/zinc/23/20/76/1039232076.db2.gz ODWPRNNMFBQNDC-UHFFFAOYSA-N 1 2 344.455 3.879 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)c1C ZINC000488518848 1039253811 /nfs/dbraw/zinc/25/38/11/1039253811.db2.gz QOANDBUSRMJNSW-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)c1C ZINC000488518848 1039253820 /nfs/dbraw/zinc/25/38/20/1039253820.db2.gz QOANDBUSRMJNSW-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO FC(F)(F)Cc1ccccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000631158411 1039291033 /nfs/dbraw/zinc/29/10/33/1039291033.db2.gz AFQSVTCWRTZCLL-UHFFFAOYSA-N 1 2 327.375 3.810 20 0 EHADLO Cc1cccc2[nH]c(C[NH+]3CCN([C@H](C)c4cccnc4)CC3)cc21 ZINC000667637453 1039298258 /nfs/dbraw/zinc/29/82/58/1039298258.db2.gz UEDJJFBHSJIVMP-QGZVFWFLSA-N 1 2 334.467 3.750 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1nnc2ccccn21 ZINC000480230479 1039313519 /nfs/dbraw/zinc/31/35/19/1039313519.db2.gz QYPMYZWOEUNQNS-WFASDCNBSA-N 1 2 329.835 3.970 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](c4ccccc4)C3)[nH+]c12 ZINC000554411308 1039315327 /nfs/dbraw/zinc/31/53/27/1039315327.db2.gz CLJTUIJABXNZMF-SFHVURJKSA-N 1 2 333.435 3.591 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000480218457 1039316438 /nfs/dbraw/zinc/31/64/38/1039316438.db2.gz VIUVTAUMWRJKRG-JQFCIGGWSA-N 1 2 339.430 3.588 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000480218457 1039316457 /nfs/dbraw/zinc/31/64/57/1039316457.db2.gz VIUVTAUMWRJKRG-JQFCIGGWSA-N 1 2 339.430 3.588 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000667643283 1039328738 /nfs/dbraw/zinc/32/87/38/1039328738.db2.gz ZUHHRJDYZUFXIK-CQSZACIVSA-N 1 2 341.402 3.729 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000667643283 1039328759 /nfs/dbraw/zinc/32/87/59/1039328759.db2.gz ZUHHRJDYZUFXIK-CQSZACIVSA-N 1 2 341.402 3.729 20 0 EHADLO CCCn1nccc1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000668522484 1039338482 /nfs/dbraw/zinc/33/84/82/1039338482.db2.gz XOFPLMIVLICSEP-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO CCCn1nccc1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000668522484 1039338506 /nfs/dbraw/zinc/33/85/06/1039338506.db2.gz XOFPLMIVLICSEP-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO c1cc(CN2CCS[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667642951 1039340327 /nfs/dbraw/zinc/34/03/27/1039340327.db2.gz PKKDPXZFKDNCMG-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCC[C@H]3C(F)(F)F)[nH+]c12 ZINC000906185722 1039367094 /nfs/dbraw/zinc/36/70/94/1039367094.db2.gz XMZQTMFBBNRACA-AWEZNQCLSA-N 1 2 339.361 3.519 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)Cc1ccco1 ZINC000051563452 1039387704 /nfs/dbraw/zinc/38/77/04/1039387704.db2.gz PJEYVRCXLBFDMJ-CQSZACIVSA-N 1 2 326.396 3.677 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000051563452 1039387722 /nfs/dbraw/zinc/38/77/22/1039387722.db2.gz PJEYVRCXLBFDMJ-CQSZACIVSA-N 1 2 326.396 3.677 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000660154263 1039414176 /nfs/dbraw/zinc/41/41/76/1039414176.db2.gz JNMXNWVLVGDUMT-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000660154263 1039414187 /nfs/dbraw/zinc/41/41/87/1039414187.db2.gz JNMXNWVLVGDUMT-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667662399 1039449710 /nfs/dbraw/zinc/44/97/10/1039449710.db2.gz IMYSTPJGNWXCEE-OXJNMPFZSA-N 1 2 325.456 3.564 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667662399 1039449717 /nfs/dbraw/zinc/44/97/17/1039449717.db2.gz IMYSTPJGNWXCEE-OXJNMPFZSA-N 1 2 325.456 3.564 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCC[C@@H]12 ZINC000554537986 1039454532 /nfs/dbraw/zinc/45/45/32/1039454532.db2.gz VPXNCUTVBOPQJY-LSTHTHJFSA-N 1 2 337.467 3.972 20 0 EHADLO Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541515 1039459136 /nfs/dbraw/zinc/45/91/36/1039459136.db2.gz WFSKZZUIRHRVAP-MRXNPFEDSA-N 1 2 349.438 3.860 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H](c2ccccc2)C2CCC2)n1 ZINC000432834844 1039511651 /nfs/dbraw/zinc/51/16/51/1039511651.db2.gz LMPXJZZQFKYIMP-MRXNPFEDSA-N 1 2 334.261 3.814 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000485783367 1039555764 /nfs/dbraw/zinc/55/57/64/1039555764.db2.gz GMVUKCCQELWZPT-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO Cc1cc2[nH]c(CNc3ccc(N4CCOCC4)[nH+]c3)cc2c(C)c1 ZINC000478610374 1039562614 /nfs/dbraw/zinc/56/26/14/1039562614.db2.gz WGAQFMZZGCTBJI-UHFFFAOYSA-N 1 2 336.439 3.628 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000489051408 1039571594 /nfs/dbraw/zinc/57/15/94/1039571594.db2.gz ZNEHSVDQGMDUQY-IRXDYDNUSA-N 1 2 325.456 3.721 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000554671495 1039574478 /nfs/dbraw/zinc/57/44/78/1039574478.db2.gz RZDRLDJUFPAWJV-QGZVFWFLSA-N 1 2 346.862 3.843 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000419192599 1039578287 /nfs/dbraw/zinc/57/82/87/1039578287.db2.gz PLBGBGTTWGZVQG-AEFFLSMTSA-N 1 2 341.476 3.640 20 0 EHADLO COC1CCC(C[NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)CC1 ZINC000893298021 1039583063 /nfs/dbraw/zinc/58/30/63/1039583063.db2.gz RMYAWFVAOCTQNZ-IMRCBTMISA-N 1 2 349.862 3.916 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489066543 1039607272 /nfs/dbraw/zinc/60/72/72/1039607272.db2.gz BNEYGBWRKVLIMJ-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@@H](c4[nH]cc[nH+]4)C1)(C3)C2 ZINC000906538576 1039635440 /nfs/dbraw/zinc/63/54/40/1039635440.db2.gz ARYJIUIIMHKODT-GRGWGWTOSA-N 1 2 327.472 3.722 20 0 EHADLO COc1c(F)cccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001143532773 1039671955 /nfs/dbraw/zinc/67/19/55/1039671955.db2.gz LFJUTGQGIXJZDO-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000480558835 1039694394 /nfs/dbraw/zinc/69/43/94/1039694394.db2.gz YHOQXZDXMFNTNU-HUUCEWRRSA-N 1 2 340.870 3.727 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907185 1039696021 /nfs/dbraw/zinc/69/60/21/1039696021.db2.gz MVSZSZBTUHMWAY-HOTGVXAUSA-N 1 2 325.456 3.724 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1Cl ZINC000660209735 1039785114 /nfs/dbraw/zinc/78/51/14/1039785114.db2.gz XQJHIOXORPUBLO-QGZVFWFLSA-N 1 2 344.846 3.878 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000553181124 1039860875 /nfs/dbraw/zinc/86/08/75/1039860875.db2.gz VMTJPOWUSCGZJP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000553181124 1039860900 /nfs/dbraw/zinc/86/09/00/1039860900.db2.gz VMTJPOWUSCGZJP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000628531111 1039869650 /nfs/dbraw/zinc/86/96/50/1039869650.db2.gz YMABLMSJTLYZKD-LBPRGKRZSA-N 1 2 349.631 3.664 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000628531111 1039869663 /nfs/dbraw/zinc/86/96/63/1039869663.db2.gz YMABLMSJTLYZKD-LBPRGKRZSA-N 1 2 349.631 3.664 20 0 EHADLO CCc1nc(N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc(C)[nH+]1 ZINC000584797465 1039895035 /nfs/dbraw/zinc/89/50/35/1039895035.db2.gz NYWQKNOPPMPMLY-WMZOPIPTSA-N 1 2 325.456 3.931 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893967469 1039898710 /nfs/dbraw/zinc/89/87/10/1039898710.db2.gz MJTTXCUAEOOLRK-MRXNPFEDSA-N 1 2 349.390 3.610 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893967469 1039898731 /nfs/dbraw/zinc/89/87/31/1039898731.db2.gz MJTTXCUAEOOLRK-MRXNPFEDSA-N 1 2 349.390 3.610 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1nc(Cc2ccccc2)no1 ZINC000893977151 1039916301 /nfs/dbraw/zinc/91/63/01/1039916301.db2.gz WHYRUGLLBIMDQU-CABCVRRESA-N 1 2 349.434 3.835 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc(CC(F)(F)F)s2)[nH]1 ZINC000894008102 1039946187 /nfs/dbraw/zinc/94/61/87/1039946187.db2.gz LPFCKARRMGCVSI-IUCAKERBSA-N 1 2 347.410 3.730 20 0 EHADLO CCOc1ccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)cc1 ZINC000486194343 1039957779 /nfs/dbraw/zinc/95/77/79/1039957779.db2.gz RMJZRDHFSLGGHT-UHFFFAOYSA-N 1 2 336.391 3.959 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230975 1039972635 /nfs/dbraw/zinc/97/26/35/1039972635.db2.gz JALLDWAUCCUDDQ-KBXCAEBGSA-N 1 2 330.403 3.652 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)cn1 ZINC000894029335 1039995285 /nfs/dbraw/zinc/99/52/85/1039995285.db2.gz YRQJTXAGOMZYFN-UHFFFAOYSA-N 1 2 335.473 3.552 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)cn1 ZINC000894029335 1039995293 /nfs/dbraw/zinc/99/52/93/1039995293.db2.gz YRQJTXAGOMZYFN-UHFFFAOYSA-N 1 2 335.473 3.552 20 0 EHADLO O=C(NC1(c2ccccc2)CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489448329 1040004430 /nfs/dbraw/zinc/00/44/30/1040004430.db2.gz AMUILSQMYFTQGR-UHFFFAOYSA-N 1 2 346.434 3.857 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000899121010 1040035398 /nfs/dbraw/zinc/03/53/98/1040035398.db2.gz WUVDBLSIQORQBE-TYENPDHQSA-N 1 2 327.472 3.603 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000894069315 1040035585 /nfs/dbraw/zinc/03/55/85/1040035585.db2.gz BYHPFCUQFUHIKK-CYBMUJFWSA-N 1 2 348.493 3.544 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000894069315 1040035592 /nfs/dbraw/zinc/03/55/92/1040035592.db2.gz BYHPFCUQFUHIKK-CYBMUJFWSA-N 1 2 348.493 3.544 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000553384979 1040038115 /nfs/dbraw/zinc/03/81/15/1040038115.db2.gz YSGJSFODNUQBJR-RDJZCZTQSA-N 1 2 340.496 3.617 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000553384979 1040038132 /nfs/dbraw/zinc/03/81/32/1040038132.db2.gz YSGJSFODNUQBJR-RDJZCZTQSA-N 1 2 340.496 3.617 20 0 EHADLO COC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCCCC1 ZINC000899120160 1040051236 /nfs/dbraw/zinc/05/12/36/1040051236.db2.gz FLXGMOFMPXSWIW-QAQDUYKDSA-N 1 2 345.487 3.660 20 0 EHADLO Fc1cc(F)cc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000555006989 1040051443 /nfs/dbraw/zinc/05/14/43/1040051443.db2.gz NKUOQDLMJZVDFG-UHFFFAOYSA-N 1 2 339.389 3.835 20 0 EHADLO Cc1cccc(CN(Cc2cccc(C)n2)Cc2c(C)cc[nH+]c2N)n1 ZINC000894089018 1040063886 /nfs/dbraw/zinc/06/38/86/1040063886.db2.gz OASFSFOGSWXQSA-UHFFFAOYSA-N 1 2 347.466 3.581 20 0 EHADLO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1)Cn1cc[nH+]c1 ZINC000486417678 1040117947 /nfs/dbraw/zinc/11/79/47/1040117947.db2.gz IWBMCDJUKLACOV-CYBMUJFWSA-N 1 2 333.863 3.900 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)O1 ZINC000480888566 1040118243 /nfs/dbraw/zinc/11/82/43/1040118243.db2.gz IEDDCAXNFUGXDR-ZDUSSCGKSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)O1 ZINC000480888566 1040118248 /nfs/dbraw/zinc/11/82/48/1040118248.db2.gz IEDDCAXNFUGXDR-ZDUSSCGKSA-N 1 2 342.252 3.904 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCO1 ZINC000907773968 1040163137 /nfs/dbraw/zinc/16/31/37/1040163137.db2.gz VQFXHYRGSIOTQQ-RDTXWAMCSA-N 1 2 339.439 3.640 20 0 EHADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815734 1040183451 /nfs/dbraw/zinc/18/34/51/1040183451.db2.gz MPBVVIXRZHEKRA-SCZPIIQISA-N 1 2 327.472 3.953 20 0 EHADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815734 1040183461 /nfs/dbraw/zinc/18/34/61/1040183461.db2.gz MPBVVIXRZHEKRA-SCZPIIQISA-N 1 2 327.472 3.953 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCCCS1 ZINC000907816452 1040185968 /nfs/dbraw/zinc/18/59/68/1040185968.db2.gz TVEHLRQQJORFFJ-WMLDXEAASA-N 1 2 347.528 3.717 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CCCCS1 ZINC000907816452 1040185975 /nfs/dbraw/zinc/18/59/75/1040185975.db2.gz TVEHLRQQJORFFJ-WMLDXEAASA-N 1 2 347.528 3.717 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899229776 1040193443 /nfs/dbraw/zinc/19/34/43/1040193443.db2.gz VHDKJRHQASYHTH-WZRBSPASSA-N 1 2 327.281 3.725 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899229776 1040193454 /nfs/dbraw/zinc/19/34/54/1040193454.db2.gz VHDKJRHQASYHTH-WZRBSPASSA-N 1 2 327.281 3.725 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1(C2CC2)CCC1 ZINC000907837838 1040198219 /nfs/dbraw/zinc/19/82/19/1040198219.db2.gz YEOKVAPCOXBHJD-UHFFFAOYSA-N 1 2 327.472 3.506 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C3CCC3)nn2)cc1 ZINC000667487564 1040234227 /nfs/dbraw/zinc/23/42/27/1040234227.db2.gz AMORQKGKMKZRFY-IBGZPJMESA-N 1 2 326.444 3.739 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C3CCC3)nn2)cc1 ZINC000667487564 1040234241 /nfs/dbraw/zinc/23/42/41/1040234241.db2.gz AMORQKGKMKZRFY-IBGZPJMESA-N 1 2 326.444 3.739 20 0 EHADLO O=C(C[C@H]1CCCc2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553639382 1040265043 /nfs/dbraw/zinc/26/50/43/1040265043.db2.gz BSQAQMLSXMLSCQ-GOSISDBHSA-N 1 2 346.434 3.775 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000667494344 1040269675 /nfs/dbraw/zinc/26/96/75/1040269675.db2.gz VZMWIRJYTJKOBW-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000667494344 1040269691 /nfs/dbraw/zinc/26/96/91/1040269691.db2.gz VZMWIRJYTJKOBW-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO O=C(NCC1(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154340515 1040274428 /nfs/dbraw/zinc/27/44/28/1040274428.db2.gz DDNYNDNGTZDMNZ-UHFFFAOYSA-N 1 2 331.419 3.625 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000667498870 1040276194 /nfs/dbraw/zinc/27/61/94/1040276194.db2.gz VRPCSDHHALFQGN-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000667498870 1040276214 /nfs/dbraw/zinc/27/62/14/1040276214.db2.gz VRPCSDHHALFQGN-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO CCC1(CC)CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000660300613 1040290392 /nfs/dbraw/zinc/29/03/92/1040290392.db2.gz RQKSLXSWFJOJIS-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c(C)c[nH+]1 ZINC000555259808 1040339644 /nfs/dbraw/zinc/33/96/44/1040339644.db2.gz CTPIMWXRROZBGY-OCCSQVGLSA-N 1 2 329.366 3.705 20 0 EHADLO Cc1nc2ccccn2c1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490081646 1040343752 /nfs/dbraw/zinc/34/37/52/1040343752.db2.gz ABMVRVLMOCUWQG-SNVBAGLBSA-N 1 2 340.374 3.969 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)[nH]1 ZINC000644992510 1040345178 /nfs/dbraw/zinc/34/51/78/1040345178.db2.gz JAYUKKUAAJOHSL-UHFFFAOYSA-N 1 2 334.414 3.760 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000448562863 1040363529 /nfs/dbraw/zinc/36/35/29/1040363529.db2.gz DWHKOYZJMCJXPW-YFHOEESVSA-N 1 2 336.426 3.525 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000908365099 1040413157 /nfs/dbraw/zinc/41/31/57/1040413157.db2.gz UGQHNMAAMNEELP-DYVFJYSZSA-N 1 2 330.453 3.501 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@](=O)C1 ZINC000433034006 1040517315 /nfs/dbraw/zinc/51/73/15/1040517315.db2.gz XKNZTNNGFHFTPO-DMZKTXOQSA-N 1 2 337.485 3.755 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@](=O)C1 ZINC000433034006 1040517332 /nfs/dbraw/zinc/51/73/32/1040517332.db2.gz XKNZTNNGFHFTPO-DMZKTXOQSA-N 1 2 337.485 3.755 20 0 EHADLO Clc1ccc(OCc2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923816728 1040536386 /nfs/dbraw/zinc/53/63/86/1040536386.db2.gz CRICRLPGIGTZSQ-OAHLLOKOSA-N 1 2 333.819 3.991 20 0 EHADLO Clc1ccc(OCc2noc([C@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923816728 1040536388 /nfs/dbraw/zinc/53/63/88/1040536388.db2.gz CRICRLPGIGTZSQ-OAHLLOKOSA-N 1 2 333.819 3.991 20 0 EHADLO C[C@@H](SCc1c[nH+]cn1Cc1ccccc1)C(=O)OC(C)(C)C ZINC000479704951 1040549955 /nfs/dbraw/zinc/54/99/55/1040549955.db2.gz KMGQXYRJUAKSQM-CQSZACIVSA-N 1 2 332.469 3.895 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000667856874 1040593931 /nfs/dbraw/zinc/59/39/31/1040593931.db2.gz XTFACFNZJQGNKA-QRVBRYPASA-N 1 2 335.451 3.592 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)nn1 ZINC000418106545 1040594107 /nfs/dbraw/zinc/59/41/07/1040594107.db2.gz ZWHTWTOXVOULLE-INIZCTEOSA-N 1 2 334.414 3.518 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)nn1 ZINC000418106545 1040594122 /nfs/dbraw/zinc/59/41/22/1040594122.db2.gz ZWHTWTOXVOULLE-INIZCTEOSA-N 1 2 334.414 3.518 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000660359078 1040713019 /nfs/dbraw/zinc/71/30/19/1040713019.db2.gz UNSJUNITZJKRPV-HNNXBMFYSA-N 1 2 332.492 3.696 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+]Cc2cc(F)c(Cl)cc2F)s1 ZINC000894117251 1040722372 /nfs/dbraw/zinc/72/23/72/1040722372.db2.gz QBTQKTMQYCSIBU-UHFFFAOYSA-N 1 2 346.786 3.541 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC000151278124 1040725087 /nfs/dbraw/zinc/72/50/87/1040725087.db2.gz WQYSZEPJPUFCOH-MRXNPFEDSA-N 1 2 339.411 3.637 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC000151278124 1040725098 /nfs/dbraw/zinc/72/50/98/1040725098.db2.gz WQYSZEPJPUFCOH-MRXNPFEDSA-N 1 2 339.411 3.637 20 0 EHADLO Cc1sc(NC(=O)C[C@H](C)n2cc[nH+]c2)nc1-c1ccccc1 ZINC000614227334 1040765626 /nfs/dbraw/zinc/76/56/26/1040765626.db2.gz CVOXFXYZWBXXBB-LBPRGKRZSA-N 1 2 326.425 3.905 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000668759355 1040800343 /nfs/dbraw/zinc/80/03/43/1040800343.db2.gz GPSBZWIGTSXQAX-QGZVFWFLSA-N 1 2 331.847 3.750 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000433131540 1040855188 /nfs/dbraw/zinc/85/51/88/1040855188.db2.gz AEPFHPXZBHMQKH-UHFFFAOYSA-N 1 2 344.459 3.908 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)ns1 ZINC000157241187 1040874223 /nfs/dbraw/zinc/87/42/23/1040874223.db2.gz LLLPSEZNIHYOKO-MRXNPFEDSA-N 1 2 330.501 3.591 20 0 EHADLO CN(C)c1nc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)ns1 ZINC000157241187 1040874241 /nfs/dbraw/zinc/87/42/41/1040874241.db2.gz LLLPSEZNIHYOKO-MRXNPFEDSA-N 1 2 330.501 3.591 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc2ccccc21 ZINC000899655981 1040921700 /nfs/dbraw/zinc/92/17/00/1040921700.db2.gz GWFPGGLWMFSOQR-OXQOHEQNSA-N 1 2 333.435 3.866 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151450036 1040936609 /nfs/dbraw/zinc/93/66/09/1040936609.db2.gz IILDVLHFGAYQFB-QUCCMNQESA-N 1 2 337.467 3.883 20 0 EHADLO COc1ccc(F)c(CNC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000555643882 1040949967 /nfs/dbraw/zinc/94/99/67/1040949967.db2.gz LIHAEDMZKPPWJC-LJQANCHMSA-N 1 2 348.487 3.949 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433165365 1040950357 /nfs/dbraw/zinc/95/03/57/1040950357.db2.gz BUYSOKKDTGDIHV-QGZVFWFLSA-N 1 2 344.480 3.935 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000249357361 1041010796 /nfs/dbraw/zinc/01/07/96/1041010796.db2.gz YTGDLYWVPJIVGE-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000249357361 1041010805 /nfs/dbraw/zinc/01/08/05/1041010805.db2.gz YTGDLYWVPJIVGE-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CCc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1C ZINC000481530711 1041023569 /nfs/dbraw/zinc/02/35/69/1041023569.db2.gz SRXRSKFOIWZHJX-UHFFFAOYSA-N 1 2 326.444 3.966 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1cc(F)c(Cl)cc1F)OCO2 ZINC000433195518 1041037821 /nfs/dbraw/zinc/03/78/21/1041037821.db2.gz WBQGXPYRCFAROT-UHFFFAOYSA-N 1 2 341.741 3.645 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364396101 1041124893 /nfs/dbraw/zinc/12/48/93/1041124893.db2.gz BNKYAGRWAOBETR-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2c(c1)OCO2 ZINC000433307781 1041266236 /nfs/dbraw/zinc/26/62/36/1041266236.db2.gz WIPQWQFWZJMUGI-MRVPVSSYSA-N 1 2 330.331 3.741 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000052074475 1041267401 /nfs/dbraw/zinc/26/74/01/1041267401.db2.gz UDQJCWIDWGRJBX-MRXNPFEDSA-N 1 2 340.442 3.667 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000052074475 1041267413 /nfs/dbraw/zinc/26/74/13/1041267413.db2.gz UDQJCWIDWGRJBX-MRXNPFEDSA-N 1 2 340.442 3.667 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)[nH]1 ZINC000571382675 1041281668 /nfs/dbraw/zinc/28/16/68/1041281668.db2.gz KHXDTWRXGQLHOE-CQSZACIVSA-N 1 2 328.460 3.841 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@@H](C4OCCO4)C3)cc[nH+]c12 ZINC000194710836 1041315358 /nfs/dbraw/zinc/31/53/58/1041315358.db2.gz QJKWSGGSEQECJL-OAHLLOKOSA-N 1 2 342.439 3.613 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(OC)ns1 ZINC000660432902 1041318161 /nfs/dbraw/zinc/31/81/61/1041318161.db2.gz QLKQAYSGBGCHGT-CQSZACIVSA-N 1 2 326.849 3.625 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(OC)ns1 ZINC000660432902 1041318179 /nfs/dbraw/zinc/31/81/79/1041318179.db2.gz QLKQAYSGBGCHGT-CQSZACIVSA-N 1 2 326.849 3.625 20 0 EHADLO C[NH+](C)[C@H](CN=c1[nH]c2cc(F)ccc2o1)c1ccccc1Cl ZINC000511699610 1041476519 /nfs/dbraw/zinc/47/65/19/1041476519.db2.gz GPFPTQKGFXIZPU-OAHLLOKOSA-N 1 2 333.794 3.757 20 0 EHADLO CC1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000110069930 1041499454 /nfs/dbraw/zinc/49/94/54/1041499454.db2.gz DTQGAVPUCQSPKP-UHFFFAOYSA-N 1 2 342.443 3.662 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1CCC1CCCC1 ZINC000651535906 1041551080 /nfs/dbraw/zinc/55/10/80/1041551080.db2.gz BLQWKVLHAKYRJB-GOSISDBHSA-N 1 2 329.488 3.723 20 0 EHADLO COc1cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)ccc1C ZINC000545573819 1041596727 /nfs/dbraw/zinc/59/67/27/1041596727.db2.gz DNKBFIPFWLZRRB-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)[nH]1 ZINC000660532097 1041640944 /nfs/dbraw/zinc/64/09/44/1041640944.db2.gz CBDYYLMKVBPTCG-YVEFUNNKSA-N 1 2 334.414 3.990 20 0 EHADLO CCC[C@H](C)Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545591917 1041658106 /nfs/dbraw/zinc/65/81/06/1041658106.db2.gz MHRVMIJDTVWEBT-HNNXBMFYSA-N 1 2 329.444 3.548 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=S)[nH]2)cc1 ZINC000026630164 1041722336 /nfs/dbraw/zinc/72/23/36/1041722336.db2.gz DNFQYGQXBMKXBS-LBPRGKRZSA-N 1 2 334.489 3.940 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=S)[nH]2)cc1 ZINC000026630164 1041722342 /nfs/dbraw/zinc/72/23/42/1041722342.db2.gz DNFQYGQXBMKXBS-LBPRGKRZSA-N 1 2 334.489 3.940 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccnc1 ZINC000660640729 1041750092 /nfs/dbraw/zinc/75/00/92/1041750092.db2.gz UMRAFHUQDASUKQ-QGZVFWFLSA-N 1 2 343.452 3.648 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccccc1F ZINC000301398939 1041814219 /nfs/dbraw/zinc/81/42/19/1041814219.db2.gz LPTCQSJUNPKBGN-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1F ZINC000301398939 1041814223 /nfs/dbraw/zinc/81/42/23/1041814223.db2.gz LPTCQSJUNPKBGN-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164270246 1041844233 /nfs/dbraw/zinc/84/42/33/1041844233.db2.gz TYUCOYBEJIUFPB-QGZVFWFLSA-N 1 2 335.451 3.985 20 0 EHADLO COC[C@H](CC(C)(C)C)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000651659157 1041857450 /nfs/dbraw/zinc/85/74/50/1041857450.db2.gz XXEUWWFEMWPSMC-INIZCTEOSA-N 1 2 331.460 3.825 20 0 EHADLO O=C1Nc2ccccc2S[C@@H]1CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000660927377 1041875713 /nfs/dbraw/zinc/87/57/13/1041875713.db2.gz ZWKIVHJKWOVZKM-QGZVFWFLSA-N 1 2 346.402 3.784 20 0 EHADLO COc1ccc(CCC[N@H+](C)Cn2nc(C)n(C3CC3)c2=S)cc1 ZINC000125276426 1041931527 /nfs/dbraw/zinc/93/15/27/1041931527.db2.gz WRAYOGUQODJXHO-UHFFFAOYSA-N 1 2 346.500 3.588 20 0 EHADLO COc1ccc(CCC[N@@H+](C)Cn2nc(C)n(C3CC3)c2=S)cc1 ZINC000125276426 1041931536 /nfs/dbraw/zinc/93/15/36/1041931536.db2.gz WRAYOGUQODJXHO-UHFFFAOYSA-N 1 2 346.500 3.588 20 0 EHADLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001203417587 1042024924 /nfs/dbraw/zinc/02/49/24/1042024924.db2.gz YFRRXLSKFUKAEO-MRXNPFEDSA-N 1 2 327.255 3.580 20 0 EHADLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Cl ZINC001203417587 1042024928 /nfs/dbraw/zinc/02/49/28/1042024928.db2.gz YFRRXLSKFUKAEO-MRXNPFEDSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1cc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cc(C)[nH+]1 ZINC000661333751 1042066051 /nfs/dbraw/zinc/06/60/51/1042066051.db2.gz OWFVGNWTIZYTRW-SFHVURJKSA-N 1 2 336.439 3.530 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000661420854 1042112712 /nfs/dbraw/zinc/11/27/12/1042112712.db2.gz WFXANFQLAQBCML-OBJOEFQTSA-N 1 2 335.498 3.607 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1cscn1 ZINC000661421987 1042113885 /nfs/dbraw/zinc/11/38/85/1042113885.db2.gz IBFYOIXWBSKUTO-IFXJQAMLSA-N 1 2 343.496 3.841 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661423426 1042114797 /nfs/dbraw/zinc/11/47/97/1042114797.db2.gz LPXJVXSVXKLKGU-OAHLLOKOSA-N 1 2 325.522 3.715 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440983 1042125974 /nfs/dbraw/zinc/12/59/74/1042125974.db2.gz WAWUSINXUZDGNT-QFBILLFUSA-N 1 2 338.451 3.902 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440983 1042125978 /nfs/dbraw/zinc/12/59/78/1042125978.db2.gz WAWUSINXUZDGNT-QFBILLFUSA-N 1 2 338.451 3.902 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066889713 1042208638 /nfs/dbraw/zinc/20/86/38/1042208638.db2.gz HIOLRKVCDCQHOY-MRXNPFEDSA-N 1 2 334.423 3.741 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1cccc(Cl)c1 ZINC000066889649 1042208958 /nfs/dbraw/zinc/20/89/58/1042208958.db2.gz OTDCHXHTPFBXGU-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000025692617 1042279411 /nfs/dbraw/zinc/27/94/11/1042279411.db2.gz LLNSLBAIZKAUJF-FOIQADDNSA-N 1 2 338.451 3.674 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cs1 ZINC000893502386 1042300571 /nfs/dbraw/zinc/30/05/71/1042300571.db2.gz STWGSKKYGGHBRI-GFCCVEGCSA-N 1 2 327.375 3.622 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cs1 ZINC000893502386 1042300575 /nfs/dbraw/zinc/30/05/75/1042300575.db2.gz STWGSKKYGGHBRI-GFCCVEGCSA-N 1 2 327.375 3.622 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)Nc1c(F)cccc1F ZINC000661791215 1042328639 /nfs/dbraw/zinc/32/86/39/1042328639.db2.gz JQBNJAFQPHMRDP-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)Nc1c(F)cccc1F ZINC000661791215 1042328647 /nfs/dbraw/zinc/32/86/47/1042328647.db2.gz JQBNJAFQPHMRDP-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000652328399 1042376258 /nfs/dbraw/zinc/37/62/58/1042376258.db2.gz FQCOKYCIICHLPI-CYBMUJFWSA-N 1 2 349.887 3.671 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC000661969172 1042437025 /nfs/dbraw/zinc/43/70/25/1042437025.db2.gz ILWLIIQJLNLDCF-QZTJIDSGSA-N 1 2 341.476 3.670 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC000661969172 1042437026 /nfs/dbraw/zinc/43/70/26/1042437026.db2.gz ILWLIIQJLNLDCF-QZTJIDSGSA-N 1 2 341.476 3.670 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C1CC1 ZINC000661991038 1042449906 /nfs/dbraw/zinc/44/99/06/1042449906.db2.gz RRJBLVLNMYAQNY-PBHICJAKSA-N 1 2 335.517 3.571 20 0 EHADLO C[C@H](Cc1nc(C2(c3cccc(F)c3)CCC2)no1)n1cc[nH+]c1 ZINC000924185132 1042468753 /nfs/dbraw/zinc/46/87/53/1042468753.db2.gz GWFFFDAYVUKZAE-CYBMUJFWSA-N 1 2 326.375 3.679 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662053793 1042484502 /nfs/dbraw/zinc/48/45/02/1042484502.db2.gz AXCPEOJGFHVTHI-UHFFFAOYSA-N 1 2 341.455 3.628 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000026215681 1042495722 /nfs/dbraw/zinc/49/57/22/1042495722.db2.gz KSBURUOMYLAFMV-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO Cc1cccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1C ZINC000026215926 1042500064 /nfs/dbraw/zinc/50/00/64/1042500064.db2.gz XZRDXCSNTLOPTN-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000248529643 1042525902 /nfs/dbraw/zinc/52/59/02/1042525902.db2.gz WXCBVXAHZOJUAJ-IIMNLJJBSA-N 1 2 346.240 3.902 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000063549475 1042589973 /nfs/dbraw/zinc/58/99/73/1042589973.db2.gz IDBZEMGSXWKPBM-UHFFFAOYSA-N 1 2 331.460 3.868 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000063549475 1042589979 /nfs/dbraw/zinc/58/99/79/1042589979.db2.gz IDBZEMGSXWKPBM-UHFFFAOYSA-N 1 2 331.460 3.868 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000662214691 1042608403 /nfs/dbraw/zinc/60/84/03/1042608403.db2.gz JKUSEPXWPWFNNR-CYBMUJFWSA-N 1 2 327.453 3.848 20 0 EHADLO CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000613881313 1042630587 /nfs/dbraw/zinc/63/05/87/1042630587.db2.gz RFCPKTCUWTXESK-UHFFFAOYSA-N 1 2 339.361 3.976 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161610769 1042673175 /nfs/dbraw/zinc/67/31/75/1042673175.db2.gz HYYWTNMSEQIRKF-SJLPKXTDSA-N 1 2 325.456 3.658 20 0 EHADLO O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)Nc1ccccc1Cl ZINC000662331314 1042686448 /nfs/dbraw/zinc/68/64/48/1042686448.db2.gz LUSLTIYEWXGLCE-UHFFFAOYSA-N 1 2 326.827 3.900 20 0 EHADLO O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)Nc1ccccc1Cl ZINC000662331314 1042686452 /nfs/dbraw/zinc/68/64/52/1042686452.db2.gz LUSLTIYEWXGLCE-UHFFFAOYSA-N 1 2 326.827 3.900 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)[nH]c2c1 ZINC000066941348 1042704358 /nfs/dbraw/zinc/70/43/58/1042704358.db2.gz XRVRDPFMWDEPHN-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000663332507 1042711299 /nfs/dbraw/zinc/71/12/99/1042711299.db2.gz RSRMURXYTZYGLK-SFHVURJKSA-N 1 2 347.418 3.930 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cs1 ZINC000165252325 1042737252 /nfs/dbraw/zinc/73/72/52/1042737252.db2.gz OCPDAZZDIVEEET-AAEUAGOBSA-N 1 2 336.505 3.961 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000602922326 1042750504 /nfs/dbraw/zinc/75/05/04/1042750504.db2.gz HQQULRWYIFDLKF-UHFFFAOYSA-N 1 2 347.509 3.576 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153155932 1042837492 /nfs/dbraw/zinc/83/74/92/1042837492.db2.gz FTZQKPLQEHOTKN-KBPBESRZSA-N 1 2 346.500 3.553 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000603749226 1042839557 /nfs/dbraw/zinc/83/95/57/1042839557.db2.gz HCHPLSXQLXRFPV-HNNXBMFYSA-N 1 2 330.457 3.864 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccsc1)c1ccc2c(c1)CCCC2 ZINC000007806297 1042920252 /nfs/dbraw/zinc/92/02/52/1042920252.db2.gz PFUJFVQMCRNVAL-HNNXBMFYSA-N 1 2 342.508 3.936 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccsc1)c1ccc2c(c1)CCCC2 ZINC000007806297 1042920255 /nfs/dbraw/zinc/92/02/55/1042920255.db2.gz PFUJFVQMCRNVAL-HNNXBMFYSA-N 1 2 342.508 3.936 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000278927101 1042970703 /nfs/dbraw/zinc/97/07/03/1042970703.db2.gz MGMNTWZQKUQYGB-JTQLQIEISA-N 1 2 349.422 3.509 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000663552062 1042992779 /nfs/dbraw/zinc/99/27/79/1042992779.db2.gz UDHKJZUGTGRARW-CQSZACIVSA-N 1 2 337.423 3.973 20 0 EHADLO CN(c1ccccc1)C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663578386 1043013895 /nfs/dbraw/zinc/01/38/95/1043013895.db2.gz AFUAYTQKAZHVAV-UHFFFAOYSA-N 1 2 332.451 3.922 20 0 EHADLO CCNc1cc(CNC(=O)Nc2ccc(F)cc2SC)cc[nH+]1 ZINC000931809166 1043036183 /nfs/dbraw/zinc/03/61/83/1043036183.db2.gz CAZOULCZSUHXGO-UHFFFAOYSA-N 1 2 334.420 3.696 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278951238 1043073337 /nfs/dbraw/zinc/07/33/37/1043073337.db2.gz MIJXROGTFMCDMB-MDZDMXLPSA-N 1 2 349.478 3.947 20 0 EHADLO C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344012410 1043100548 /nfs/dbraw/zinc/10/05/48/1043100548.db2.gz BXGFYDHTUIMOQV-LLVKDONJSA-N 1 2 341.282 3.840 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000344102199 1043252284 /nfs/dbraw/zinc/25/22/84/1043252284.db2.gz FBBITDWJJYNMRW-UHFFFAOYSA-N 1 2 343.496 3.545 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c1 ZINC000344102199 1043252289 /nfs/dbraw/zinc/25/22/89/1043252289.db2.gz FBBITDWJJYNMRW-UHFFFAOYSA-N 1 2 343.496 3.545 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC2(CCOCC2)O1 ZINC000279076955 1043318426 /nfs/dbraw/zinc/31/84/26/1043318426.db2.gz LDGPNGSPMBVZMA-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC2(CCOCC2)O1 ZINC000279076955 1043318430 /nfs/dbraw/zinc/31/84/30/1043318430.db2.gz LDGPNGSPMBVZMA-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)n1 ZINC000344147855 1043331774 /nfs/dbraw/zinc/33/17/74/1043331774.db2.gz RFQSTAGEGSIEQI-NWDGAFQWSA-N 1 2 329.375 3.920 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)cc1 ZINC000279096645 1043346120 /nfs/dbraw/zinc/34/61/20/1043346120.db2.gz UXLIAHGRAXYLDH-SJLPKXTDSA-N 1 2 346.434 3.594 20 0 EHADLO CCc1cnc(CCNc2nc(C)[nH+]c(C)c2Br)s1 ZINC000663672098 1043424025 /nfs/dbraw/zinc/42/40/25/1043424025.db2.gz UEFAWXIKGRPIFW-UHFFFAOYSA-N 1 2 341.278 3.529 20 0 EHADLO Cc1nc(N[C@H]2CCc3c2cccc3O)c(Br)c(C)[nH+]1 ZINC000663674652 1043473941 /nfs/dbraw/zinc/47/39/41/1043473941.db2.gz SOQZYBQPRZJSEX-LBPRGKRZSA-N 1 2 334.217 3.661 20 0 EHADLO Cc1cn(C2CCCCC2)nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000344325440 1043667179 /nfs/dbraw/zinc/66/71/79/1043667179.db2.gz MAWRQCIQNXEPAY-UHFFFAOYSA-N 1 2 335.455 3.916 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2cccs2)cs1)C1CC1 ZINC000344349445 1043715993 /nfs/dbraw/zinc/71/59/93/1043715993.db2.gz LZRGBQMVZOZWIQ-UHFFFAOYSA-N 1 2 335.498 3.745 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000344370584 1043780926 /nfs/dbraw/zinc/78/09/26/1043780926.db2.gz IPBXMNDAYIFZTL-WMLDXEAASA-N 1 2 339.501 3.581 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000344370584 1043780932 /nfs/dbraw/zinc/78/09/32/1043780932.db2.gz IPBXMNDAYIFZTL-WMLDXEAASA-N 1 2 339.501 3.581 20 0 EHADLO O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613976419 1043799137 /nfs/dbraw/zinc/79/91/37/1043799137.db2.gz JKTGWBRSGLZGQA-MRVPVSSYSA-N 1 2 328.174 3.530 20 0 EHADLO Cc1ccc(-c2ccccc2C[NH2+]Cc2nc(N(C)C)no2)c(C)c1 ZINC000893674853 1043801567 /nfs/dbraw/zinc/80/15/67/1043801567.db2.gz NKMRJMSYMSZMBB-UHFFFAOYSA-N 1 2 336.439 3.709 20 0 EHADLO CC(C)(O)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000893675857 1043803539 /nfs/dbraw/zinc/80/35/39/1043803539.db2.gz OSUWHNUQTQWEMA-UHFFFAOYSA-N 1 2 330.375 3.679 20 0 EHADLO Cc1nc(N[C@H]2CCOC3(CCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663724828 1043841485 /nfs/dbraw/zinc/84/14/85/1043841485.db2.gz AQFAKPQNMYVKRF-LBPRGKRZSA-N 1 2 340.265 3.760 20 0 EHADLO CCN(Cc1ccc(OC)c(OC)c1)c1[nH+]ccc2c(N)cccc21 ZINC000663729556 1043847227 /nfs/dbraw/zinc/84/72/27/1043847227.db2.gz QXQDSKRRPIRMDC-UHFFFAOYSA-N 1 2 337.423 3.861 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000344739538 1044357005 /nfs/dbraw/zinc/35/70/05/1044357005.db2.gz YXTCNEPYFRJJPU-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CCc1cc(N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)nc(C)[nH+]1 ZINC000436425288 1044379111 /nfs/dbraw/zinc/37/91/11/1044379111.db2.gz OUYZJYWTZNKITI-YVEFUNNKSA-N 1 2 331.847 3.967 20 0 EHADLO CCc1cc(N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)nc(C)[nH+]1 ZINC000436425285 1044380367 /nfs/dbraw/zinc/38/03/67/1044380367.db2.gz OUYZJYWTZNKITI-PXAZEXFGSA-N 1 2 331.847 3.967 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000344866270 1044554758 /nfs/dbraw/zinc/55/47/58/1044554758.db2.gz BKPCWKDYEBICEJ-MRXNPFEDSA-N 1 2 349.434 3.775 20 0 EHADLO Cc1nc(N[C@H](C)c2cncc(F)c2)c(Br)c(C)[nH+]1 ZINC000663788868 1044563705 /nfs/dbraw/zinc/56/37/05/1044563705.db2.gz SEEUZTGGFCOHQF-SSDOTTSWSA-N 1 2 325.185 3.563 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000344914295 1044680466 /nfs/dbraw/zinc/68/04/66/1044680466.db2.gz AXKXTEFUKNCFQG-LSWWBPAMSA-N 1 2 330.447 3.611 20 0 EHADLO COCC[C@H]1CCCC[N@H+](Cc2ncc(Br)s2)C1 ZINC000344942933 1044724135 /nfs/dbraw/zinc/72/41/35/1044724135.db2.gz WQKGOMZJCOKTHO-LLVKDONJSA-N 1 2 333.295 3.544 20 0 EHADLO COCC[C@H]1CCCC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000344942933 1044724149 /nfs/dbraw/zinc/72/41/49/1044724149.db2.gz WQKGOMZJCOKTHO-LLVKDONJSA-N 1 2 333.295 3.544 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000183445775 1125569042 /nfs/dbraw/zinc/56/90/42/1125569042.db2.gz ZLGXOEATIWZHOO-ICSRJNTNSA-N 1 2 336.435 3.605 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000183445775 1125569045 /nfs/dbraw/zinc/56/90/45/1125569045.db2.gz ZLGXOEATIWZHOO-ICSRJNTNSA-N 1 2 336.435 3.605 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000153561780 1125632126 /nfs/dbraw/zinc/63/21/26/1125632126.db2.gz ZLTQGFGBRUIQQB-GUYCJALGSA-N 1 2 345.830 3.659 20 0 EHADLO CC[N@H+](Cc1cn(C)nc1C)Cc1cc(Br)ccc1F ZINC000154675193 1125744141 /nfs/dbraw/zinc/74/41/41/1125744141.db2.gz BHRSZIUIWYYQHF-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CC[N@@H+](Cc1cn(C)nc1C)Cc1cc(Br)ccc1F ZINC000154675193 1125744145 /nfs/dbraw/zinc/74/41/45/1125744145.db2.gz BHRSZIUIWYYQHF-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000154800097 1125757153 /nfs/dbraw/zinc/75/71/53/1125757153.db2.gz NZQXKCQMTUOWIT-UHFFFAOYSA-N 1 2 343.427 3.913 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)Cc1cccc(-c2ccncc2)c1 ZINC000155004128 1125774986 /nfs/dbraw/zinc/77/49/86/1125774986.db2.gz XURONXZMBDQFKN-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)Cc1cccc(-c2ccncc2)c1 ZINC000155004128 1125774994 /nfs/dbraw/zinc/77/49/94/1125774994.db2.gz XURONXZMBDQFKN-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546449 1126715222 /nfs/dbraw/zinc/71/52/22/1126715222.db2.gz XAKHRVZNFZMXLF-CQSZACIVSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546449 1126715225 /nfs/dbraw/zinc/71/52/25/1126715225.db2.gz XAKHRVZNFZMXLF-CQSZACIVSA-N 1 2 334.891 3.641 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983640 1126728886 /nfs/dbraw/zinc/72/88/86/1126728886.db2.gz VEQUWTCSOYFXAM-XJKSGUPXSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983640 1126728889 /nfs/dbraw/zinc/72/88/89/1126728889.db2.gz VEQUWTCSOYFXAM-XJKSGUPXSA-N 1 2 343.500 3.889 20 0 EHADLO O[C@H](COc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1Cl ZINC000185061977 1126747553 /nfs/dbraw/zinc/74/75/53/1126747553.db2.gz SLUIARBTVNGSSJ-QGZVFWFLSA-N 1 2 332.762 3.777 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)c1cccs1 ZINC000172329422 1126789546 /nfs/dbraw/zinc/78/95/46/1126789546.db2.gz KXMSXJXSLYYKSF-OAHLLOKOSA-N 1 2 335.436 3.821 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000447829841 1126819547 /nfs/dbraw/zinc/81/95/47/1126819547.db2.gz HKMLCZSONHAILV-FGTMMUONSA-N 1 2 346.519 3.914 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175252292 1126868444 /nfs/dbraw/zinc/86/84/44/1126868444.db2.gz UKNQUQGRZAGUBY-RYUDHWBXSA-N 1 2 335.498 3.851 20 0 EHADLO c1[nH]nc2c1C[N@H+](Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000623236383 1126900977 /nfs/dbraw/zinc/90/09/77/1126900977.db2.gz ZDZFIEJVDWHYQZ-UHFFFAOYSA-N 1 2 347.466 3.507 20 0 EHADLO c1[nH]nc2c1C[N@@H+](Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000623236383 1126900979 /nfs/dbraw/zinc/90/09/79/1126900979.db2.gz ZDZFIEJVDWHYQZ-UHFFFAOYSA-N 1 2 347.466 3.507 20 0 EHADLO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000185482286 1126906195 /nfs/dbraw/zinc/90/61/95/1126906195.db2.gz PXBFMUZKUVWXRE-MWLCHTKSSA-N 1 2 348.256 3.742 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000623278620 1126908493 /nfs/dbraw/zinc/90/84/93/1126908493.db2.gz QXJNUPVXKSLWQR-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CCC(CC)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623309398 1126915601 /nfs/dbraw/zinc/91/56/01/1126915601.db2.gz XFNSIWUKVNEMGA-INIZCTEOSA-N 1 2 345.874 3.726 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1COc1ccccc1 ZINC000192826793 1126940473 /nfs/dbraw/zinc/94/04/73/1126940473.db2.gz CSRCZRHNVGHFKW-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OC3CC3)c2)[nH]1 ZINC000623506992 1126968414 /nfs/dbraw/zinc/96/84/14/1126968414.db2.gz RXERGOQVGVOAEC-OLZOCXBDSA-N 1 2 344.459 3.719 20 0 EHADLO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Br)cc(F)c1O ZINC000185679267 1126981246 /nfs/dbraw/zinc/98/12/46/1126981246.db2.gz LKEYNXVDMBHQIJ-OTYXRUKQSA-N 1 2 332.213 3.514 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)ncc1Br ZINC000623554540 1126983835 /nfs/dbraw/zinc/98/38/35/1126983835.db2.gz CYORWQHOELJNGQ-CVEARBPZSA-N 1 2 335.220 3.879 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000178366874 1127016422 /nfs/dbraw/zinc/01/64/22/1127016422.db2.gz SFKXIQQAZYFSGS-RYUDHWBXSA-N 1 2 345.468 3.586 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000178410317 1127016950 /nfs/dbraw/zinc/01/69/50/1127016950.db2.gz OAENWOKDTVACDL-QGZVFWFLSA-N 1 2 326.488 3.707 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc2c(c1)OCO2 ZINC000178612285 1127022780 /nfs/dbraw/zinc/02/27/80/1127022780.db2.gz IYVBYIIXJJLEIN-MRVPVSSYSA-N 1 2 330.331 3.741 20 0 EHADLO O=C(OC[C@H]1CCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185801596 1127034262 /nfs/dbraw/zinc/03/42/62/1127034262.db2.gz YVMCWLIGXGEMBR-QUCCMNQESA-N 1 2 348.402 3.807 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000349403897 1127039209 /nfs/dbraw/zinc/03/92/09/1127039209.db2.gz GWAANPNIFJSVCL-GXFFZTMASA-N 1 2 337.395 3.877 20 0 EHADLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000179149972 1127047308 /nfs/dbraw/zinc/04/73/08/1127047308.db2.gz FXVQRAVNXMVIGP-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1sc2[nH]c(C[NH+]3CCC(C(C)(C)C)CC3)nc(=O)c2c1C ZINC000179202743 1127050776 /nfs/dbraw/zinc/05/07/76/1127050776.db2.gz ZAFOPRFUNVTUBG-UHFFFAOYSA-N 1 2 333.501 3.860 20 0 EHADLO Fc1ccc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)[nH]n2)cc1 ZINC000351070386 1127136837 /nfs/dbraw/zinc/13/68/37/1127136837.db2.gz DVQBUJOFWWESQF-UHFFFAOYSA-N 1 2 346.325 3.581 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180625822 1127177422 /nfs/dbraw/zinc/17/74/22/1127177422.db2.gz FNFBCCCQLRBTEU-OCCSQVGLSA-N 1 2 345.443 3.940 20 0 EHADLO O=C(CCOc1cccc(F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000623810477 1127187191 /nfs/dbraw/zinc/18/71/91/1127187191.db2.gz LGDHFDMZOPJRSG-UHFFFAOYSA-N 1 2 325.343 3.623 20 0 EHADLO Fc1cc2c(cc1Cl)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CC2 ZINC000623852166 1127202426 /nfs/dbraw/zinc/20/24/26/1127202426.db2.gz OIYKNCGLSVVFQZ-OAHLLOKOSA-N 1 2 334.826 3.574 20 0 EHADLO O=C1[C@H]([NH2+][C@H]2CCCc3scnc32)CCN1c1ccc(Cl)cc1 ZINC000623917759 1127214634 /nfs/dbraw/zinc/21/46/34/1127214634.db2.gz YADVTRNTJMTPRQ-UONOGXRCSA-N 1 2 347.871 3.569 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4scnc43)c[nH+]2)C[C@H](C)O1 ZINC000623954697 1127221526 /nfs/dbraw/zinc/22/15/26/1127221526.db2.gz XPCBGLAMOGPOIS-VNHYZAJKSA-N 1 2 344.484 3.641 20 0 EHADLO FC(F)(F)COc1cnccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623978631 1127226756 /nfs/dbraw/zinc/22/67/56/1127226756.db2.gz ZVNZGULCLHLNPS-NSHDSACASA-N 1 2 343.374 3.646 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1C(F)(F)F ZINC000624010116 1127232615 /nfs/dbraw/zinc/23/26/15/1127232615.db2.gz IIVLVFZHDWGXNH-RVBZMBCESA-N 1 2 328.313 3.793 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C12CC(C1)C2 ZINC000624056435 1127239732 /nfs/dbraw/zinc/23/97/32/1127239732.db2.gz AECUFZFEZTYHLN-KVIBHRHWSA-N 1 2 336.838 3.532 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000181335890 1127273809 /nfs/dbraw/zinc/27/38/09/1127273809.db2.gz HGOZTHVLNQRAOP-HIFRSBDPSA-N 1 2 343.452 3.912 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](CC(C)C)c2ccccc2OC)n1 ZINC000181702765 1127289861 /nfs/dbraw/zinc/28/98/61/1127289861.db2.gz IYDDZQLFRQISBI-INIZCTEOSA-N 1 2 329.444 3.630 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)cc1F ZINC000181762391 1127294935 /nfs/dbraw/zinc/29/49/35/1127294935.db2.gz NFAXGMGMZWQZLD-MRXNPFEDSA-N 1 2 334.414 3.992 20 0 EHADLO CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181889477 1127301335 /nfs/dbraw/zinc/30/13/35/1127301335.db2.gz KBOVZTMBKULLRN-KRWDZBQOSA-N 1 2 337.250 3.809 20 0 EHADLO Cc1ccsc1C[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000357289304 1127305931 /nfs/dbraw/zinc/30/59/31/1127305931.db2.gz ALFDANFGNJPDDL-UHFFFAOYSA-N 1 2 332.498 3.892 20 0 EHADLO Cc1ccsc1C[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000357289304 1127305933 /nfs/dbraw/zinc/30/59/33/1127305933.db2.gz ALFDANFGNJPDDL-UHFFFAOYSA-N 1 2 332.498 3.892 20 0 EHADLO COCCc1noc(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)n1 ZINC000182100787 1127312369 /nfs/dbraw/zinc/31/23/69/1127312369.db2.gz JDQSLHDPUSOAGL-CYBMUJFWSA-N 1 2 335.473 3.610 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc3sc(N(C)C)nc3s2)c(C)[nH+]1 ZINC000182260393 1127319315 /nfs/dbraw/zinc/31/93/15/1127319315.db2.gz CLXOVYRXEHOIST-UHFFFAOYSA-N 1 2 346.481 3.996 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc2c(c1)OCO2 ZINC000182299963 1127322253 /nfs/dbraw/zinc/32/22/53/1127322253.db2.gz UYMWBWXGCXPLSD-NSHDSACASA-N 1 2 328.393 3.983 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000182533227 1127335180 /nfs/dbraw/zinc/33/51/80/1127335180.db2.gz XHVPMMVBPVGATF-NSHDSACASA-N 1 2 327.359 3.776 20 0 EHADLO COc1ccc[nH+]c1NCCc1cnc(SC2CCCC2)nc1 ZINC000624247011 1127340254 /nfs/dbraw/zinc/34/02/54/1127340254.db2.gz LUCGOPZMUIVCHB-UHFFFAOYSA-N 1 2 330.457 3.570 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cn(C)nc1C1CCCCC1 ZINC000183000286 1127358351 /nfs/dbraw/zinc/35/83/51/1127358351.db2.gz AOGSFQFJFRXMOZ-UHFFFAOYSA-N 1 2 331.460 3.709 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cn(C)nc1C1CCCCC1 ZINC000183000286 1127358355 /nfs/dbraw/zinc/35/83/55/1127358355.db2.gz AOGSFQFJFRXMOZ-UHFFFAOYSA-N 1 2 331.460 3.709 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000183353836 1127373491 /nfs/dbraw/zinc/37/34/91/1127373491.db2.gz DKDWNSZPOHSASZ-DNVCBOLYSA-N 1 2 331.435 3.640 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000183353836 1127373496 /nfs/dbraw/zinc/37/34/96/1127373496.db2.gz DKDWNSZPOHSASZ-DNVCBOLYSA-N 1 2 331.435 3.640 20 0 EHADLO OCc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1F ZINC000183400576 1127375482 /nfs/dbraw/zinc/37/54/82/1127375482.db2.gz YCRAFMRRONNURA-HXUWFJFHSA-N 1 2 340.373 3.731 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183936471 1127390347 /nfs/dbraw/zinc/39/03/47/1127390347.db2.gz XZHFBGZRMGJLSU-GHMZBOCLSA-N 1 2 326.491 3.576 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183936471 1127390351 /nfs/dbraw/zinc/39/03/51/1127390351.db2.gz XZHFBGZRMGJLSU-GHMZBOCLSA-N 1 2 326.491 3.576 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)n1 ZINC000184138513 1127395929 /nfs/dbraw/zinc/39/59/29/1127395929.db2.gz GICICEJLIKWFRK-PBHICJAKSA-N 1 2 331.485 3.616 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)n1 ZINC000184138524 1127395973 /nfs/dbraw/zinc/39/59/73/1127395973.db2.gz GICICEJLIKWFRK-YOEHRIQHSA-N 1 2 331.485 3.616 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)n1 ZINC000184156095 1127396283 /nfs/dbraw/zinc/39/62/83/1127396283.db2.gz SHFAAZYBRBSBQW-VXGBXAGGSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000184248344 1127399820 /nfs/dbraw/zinc/39/98/20/1127399820.db2.gz XMBQOPKGIYRXGQ-SUMWQHHRSA-N 1 2 349.475 3.755 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000184452301 1127405281 /nfs/dbraw/zinc/40/52/81/1127405281.db2.gz DXYXLYOILGNPHE-CQSZACIVSA-N 1 2 339.549 3.984 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184556048 1127408401 /nfs/dbraw/zinc/40/84/01/1127408401.db2.gz NGUZEAOGODHJCW-WMLDXEAASA-N 1 2 344.455 3.709 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1Cl)c1nccs1 ZINC000185051752 1127419270 /nfs/dbraw/zinc/41/92/70/1127419270.db2.gz LZFMAZIBEGXRGK-BXUZGUMPSA-N 1 2 337.876 3.715 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1nccs1 ZINC000185088801 1127419951 /nfs/dbraw/zinc/41/99/51/1127419951.db2.gz AVWAMAVGSPMSQH-OAHLLOKOSA-N 1 2 325.437 3.976 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185340006 1127425167 /nfs/dbraw/zinc/42/51/67/1127425167.db2.gz FKECQSFSNZUPLH-LJQANCHMSA-N 1 2 340.471 3.796 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196720 1127434598 /nfs/dbraw/zinc/43/45/98/1127434598.db2.gz YOURCSLQJOTVNF-JSGCOSHPSA-N 1 2 328.378 3.850 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196720 1127434600 /nfs/dbraw/zinc/43/46/00/1127434600.db2.gz YOURCSLQJOTVNF-JSGCOSHPSA-N 1 2 328.378 3.850 20 0 EHADLO Cc1cc(NC(=O)c2cc3c(cccc3N(C)C)s2)c(C)c[nH+]1 ZINC001127734037 1127453062 /nfs/dbraw/zinc/45/30/62/1127453062.db2.gz WFAUVFYKVVFYSH-UHFFFAOYSA-N 1 2 325.437 3.653 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1nccn1-c1ccccc1)c1ccccc1 ZINC000764397547 1127490610 /nfs/dbraw/zinc/49/06/10/1127490610.db2.gz ARZAJEJYFAAUNO-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nccn1-c1ccccc1)c1ccccc1 ZINC000764397547 1127490614 /nfs/dbraw/zinc/49/06/14/1127490614.db2.gz ARZAJEJYFAAUNO-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749983739 1127529858 /nfs/dbraw/zinc/52/98/58/1127529858.db2.gz PXOWGMRDNCKUFB-UHFFFAOYSA-N 1 2 342.424 3.733 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1csc2ccccc12 ZINC000764824410 1127539506 /nfs/dbraw/zinc/53/95/06/1127539506.db2.gz XFLGIUYUOKTVPU-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1csc2ccccc12 ZINC000764824410 1127539510 /nfs/dbraw/zinc/53/95/10/1127539510.db2.gz XFLGIUYUOKTVPU-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO Cc1nc(N[C@H]2COc3c2ccc(Br)c3Cl)cc[nH+]1 ZINC001168534427 1127547090 /nfs/dbraw/zinc/54/70/90/1127547090.db2.gz QRHVQNZULPMGAW-JTQLQIEISA-N 1 2 340.608 3.747 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000350682379 1127582542 /nfs/dbraw/zinc/58/25/42/1127582542.db2.gz PFTRJVXWJSLFNQ-GHMZBOCLSA-N 1 2 341.308 3.929 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccsc3)n2)C1 ZINC000012802263 1127643700 /nfs/dbraw/zinc/64/37/00/1127643700.db2.gz UOUUTWOEUNUOKK-GFCCVEGCSA-N 1 2 335.498 3.618 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccsc3)n2)C1 ZINC000012802263 1127643701 /nfs/dbraw/zinc/64/37/01/1127643701.db2.gz UOUUTWOEUNUOKK-GFCCVEGCSA-N 1 2 335.498 3.618 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000014277821 1127645731 /nfs/dbraw/zinc/64/57/31/1127645731.db2.gz FQBLWHRMWFWVOM-UHFFFAOYSA-N 1 2 349.369 3.907 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000016420438 1127662085 /nfs/dbraw/zinc/66/20/85/1127662085.db2.gz QWUXFJNNZFTDPE-GXTWGEPZSA-N 1 2 334.510 3.996 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000016420438 1127662087 /nfs/dbraw/zinc/66/20/87/1127662087.db2.gz QWUXFJNNZFTDPE-GXTWGEPZSA-N 1 2 334.510 3.996 20 0 EHADLO O=C(c1csc2c1CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929590 1127686226 /nfs/dbraw/zinc/68/62/26/1127686226.db2.gz ZPYYBBZIUZVRSP-UHFFFAOYSA-N 1 2 346.521 3.646 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)nn1C ZINC000624290302 1127790991 /nfs/dbraw/zinc/79/09/91/1127790991.db2.gz ZHADFPLNVUNVPO-IAQYHMDHSA-N 1 2 342.270 3.810 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)CCCc2ccccc2)cs1)C1CC1 ZINC000172155491 1127789202 /nfs/dbraw/zinc/78/92/02/1127789202.db2.gz IIUZHZYSNKWYHF-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)CCCc2ccccc2)cs1)C1CC1 ZINC000172155491 1127789203 /nfs/dbraw/zinc/78/92/03/1127789203.db2.gz IIUZHZYSNKWYHF-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000265593521 1127807594 /nfs/dbraw/zinc/80/75/94/1127807594.db2.gz GRPKHMXQIOGSJH-CQSZACIVSA-N 1 2 339.464 3.662 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917875 1127811180 /nfs/dbraw/zinc/81/11/80/1127811180.db2.gz BTCNBNMIDIFBBH-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO Cc1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000041645781 1127876717 /nfs/dbraw/zinc/87/67/17/1127876717.db2.gz XMGVAHXEOMBHIQ-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000043045716 1127910206 /nfs/dbraw/zinc/91/02/06/1127910206.db2.gz IETNEJXAIHKVSC-UHFFFAOYSA-N 1 2 326.425 3.842 20 0 EHADLO CCc1ccc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000043864757 1127928196 /nfs/dbraw/zinc/92/81/96/1127928196.db2.gz IDQHQOSLWDTKFV-QAPCUYQASA-N 1 2 328.460 3.531 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccsc2)C[C@H](C)O1 ZINC000046342770 1127976529 /nfs/dbraw/zinc/97/65/29/1127976529.db2.gz ZJWCCCDCIGUSDJ-KBPBESRZSA-N 1 2 330.453 3.610 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000046943966 1127995652 /nfs/dbraw/zinc/99/56/52/1127995652.db2.gz CKSQUIAVIJOKBG-UHFFFAOYSA-N 1 2 340.471 3.849 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000047028593 1127998896 /nfs/dbraw/zinc/99/88/96/1127998896.db2.gz VOESLCRWUFTBJR-OAHLLOKOSA-N 1 2 336.395 3.886 20 0 EHADLO CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000047489891 1128009266 /nfs/dbraw/zinc/00/92/66/1128009266.db2.gz JJTQSJOXRMYYOU-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073150 1128063013 /nfs/dbraw/zinc/06/30/13/1128063013.db2.gz QKMFBMPIEJVKSN-KRWDZBQOSA-N 1 2 334.510 3.673 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073150 1128063015 /nfs/dbraw/zinc/06/30/15/1128063015.db2.gz QKMFBMPIEJVKSN-KRWDZBQOSA-N 1 2 334.510 3.673 20 0 EHADLO Cc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000347546605 1128068888 /nfs/dbraw/zinc/06/88/88/1128068888.db2.gz MJNDBOWDESRRMO-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000347546605 1128068893 /nfs/dbraw/zinc/06/88/93/1128068893.db2.gz MJNDBOWDESRRMO-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC(c2cccc3ccccc32)CC1 ZINC000058544792 1128072113 /nfs/dbraw/zinc/07/21/13/1128072113.db2.gz DVMXJZIQUDGSOC-UHFFFAOYSA-N 1 2 343.434 3.901 20 0 EHADLO Cc1cc(N2CCC3(CC2)OCCc2ccsc23)nc(C2CC2)[nH+]1 ZINC000351891639 1128074659 /nfs/dbraw/zinc/07/46/59/1128074659.db2.gz YARWKKVRXOFIQF-UHFFFAOYSA-N 1 2 341.480 3.792 20 0 EHADLO COc1cn(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)c(C)cc1=O ZINC000902272102 1128090419 /nfs/dbraw/zinc/09/04/19/1128090419.db2.gz TWYQLJVMMFWFDH-YJBOKZPZSA-N 1 2 326.440 3.596 20 0 EHADLO COc1cn(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)c(C)cc1=O ZINC000902272102 1128090421 /nfs/dbraw/zinc/09/04/21/1128090421.db2.gz TWYQLJVMMFWFDH-YJBOKZPZSA-N 1 2 326.440 3.596 20 0 EHADLO c1cn(C2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)c[nH+]1 ZINC000060296346 1128095718 /nfs/dbraw/zinc/09/57/18/1128095718.db2.gz PXFZWDDHSAEUSA-UHFFFAOYSA-N 1 2 339.468 3.608 20 0 EHADLO Cc1cc(C)c(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000060868461 1128115767 /nfs/dbraw/zinc/11/57/67/1128115767.db2.gz PWNJBELQWJDBGF-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347577840 1128116178 /nfs/dbraw/zinc/11/61/78/1128116178.db2.gz HJHMZIMHWXMBCL-CVEARBPZSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1noc(C)c1C[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347577840 1128116180 /nfs/dbraw/zinc/11/61/80/1128116180.db2.gz HJHMZIMHWXMBCL-CVEARBPZSA-N 1 2 327.472 3.640 20 0 EHADLO Cc1ccc(/C=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000067680608 1128246391 /nfs/dbraw/zinc/24/63/91/1128246391.db2.gz YCVUUPFASUDTHH-CMDGGOBGSA-N 1 2 337.379 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc2ccccc2c1 ZINC000066437986 1128217856 /nfs/dbraw/zinc/21/78/56/1128217856.db2.gz DCDWTYKRSXEWIL-CYBMUJFWSA-N 1 2 338.373 3.901 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc2ccccc2c1 ZINC000066437986 1128217857 /nfs/dbraw/zinc/21/78/57/1128217857.db2.gz DCDWTYKRSXEWIL-CYBMUJFWSA-N 1 2 338.373 3.901 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069265412 1128284801 /nfs/dbraw/zinc/28/48/01/1128284801.db2.gz LDQGWUITUMFDOJ-AEFFLSMTSA-N 1 2 346.519 3.666 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)Cn3cc[nH+]c3)s2)cc1Cl ZINC000072986248 1128312079 /nfs/dbraw/zinc/31/20/79/1128312079.db2.gz MOOVDOYSTGGJCG-UHFFFAOYSA-N 1 2 346.843 3.531 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000073171648 1128318280 /nfs/dbraw/zinc/31/82/80/1128318280.db2.gz FWSJURVGSUZMQI-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000624596806 1128402115 /nfs/dbraw/zinc/40/21/15/1128402115.db2.gz LEYAIFFYFWIHGF-UHFFFAOYSA-N 1 2 335.451 3.515 20 0 EHADLO CC(C)O[C@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C1(C)C ZINC000765810524 1128422775 /nfs/dbraw/zinc/42/27/75/1128422775.db2.gz NDKHSUZLAIOGSW-MOPGFXCFSA-N 1 2 343.471 3.966 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccco1 ZINC000921647567 1128426037 /nfs/dbraw/zinc/42/60/37/1128426037.db2.gz NNFRYVXZFPESNA-GOSISDBHSA-N 1 2 331.460 3.780 20 0 EHADLO Cc1ccn([C@H](C)CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)n1 ZINC000921652389 1128434270 /nfs/dbraw/zinc/43/42/70/1128434270.db2.gz HWHYTIDZTZPGDE-CYBMUJFWSA-N 1 2 337.427 3.788 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3onc4c3CCCC4)cc2)[nH+]c1C ZINC000921654756 1128436867 /nfs/dbraw/zinc/43/68/67/1128436867.db2.gz FQTXSRARKQVFOA-UHFFFAOYSA-N 1 2 336.395 3.813 20 0 EHADLO COCCC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC1 ZINC000921660907 1128440117 /nfs/dbraw/zinc/44/01/17/1128440117.db2.gz VIWPZWWSSKJZCD-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)[nH+]c1C ZINC000921664172 1128441546 /nfs/dbraw/zinc/44/15/46/1128441546.db2.gz WUFUUVXAHOGYQG-UHFFFAOYSA-N 1 2 343.374 3.928 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC[C@@H]1CC=CCC1 ZINC000624698715 1128457443 /nfs/dbraw/zinc/45/74/43/1128457443.db2.gz YFNQJOMXTVOXQD-QGZVFWFLSA-N 1 2 332.492 3.614 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)cc1OC ZINC000347636364 1128500454 /nfs/dbraw/zinc/50/04/54/1128500454.db2.gz ZVJSZVPDVMBIAT-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)cc1OC ZINC000347636364 1128500458 /nfs/dbraw/zinc/50/04/58/1128500458.db2.gz ZVJSZVPDVMBIAT-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056207805 1128547823 /nfs/dbraw/zinc/54/78/23/1128547823.db2.gz KMDUDAJECDKSSZ-FQEVSTJZSA-N 1 2 338.451 3.583 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000542702372 1128548589 /nfs/dbraw/zinc/54/85/89/1128548589.db2.gz YYNIGPNDVHVYSK-YPMHNXCESA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000542702372 1128548590 /nfs/dbraw/zinc/54/85/90/1128548590.db2.gz YYNIGPNDVHVYSK-YPMHNXCESA-N 1 2 335.341 3.766 20 0 EHADLO Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000056576988 1128565954 /nfs/dbraw/zinc/56/59/54/1128565954.db2.gz SZVBTGSEZSTCEV-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO Cn1cncc1C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000353581152 1128598957 /nfs/dbraw/zinc/59/89/57/1128598957.db2.gz KLHYAIOMZASIAN-INIZCTEOSA-N 1 2 346.228 3.655 20 0 EHADLO Cn1c[nH+]cc1CN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000353581152 1128598959 /nfs/dbraw/zinc/59/89/59/1128598959.db2.gz KLHYAIOMZASIAN-INIZCTEOSA-N 1 2 346.228 3.655 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000465757415 1128633203 /nfs/dbraw/zinc/63/32/03/1128633203.db2.gz RAOFKNFXYFJJIZ-MSOLQXFVSA-N 1 2 338.455 3.640 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000303638989 1128684396 /nfs/dbraw/zinc/68/43/96/1128684396.db2.gz APQURHZFTPQWSZ-UHFFFAOYSA-N 1 2 341.414 3.998 20 0 EHADLO CC(C)(C)CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303849116 1128702645 /nfs/dbraw/zinc/70/26/45/1128702645.db2.gz RLZKQQKIZMWXDT-QGZVFWFLSA-N 1 2 334.529 3.719 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1nc(C2CC2)no1 ZINC000921741332 1128707113 /nfs/dbraw/zinc/70/71/13/1128707113.db2.gz RWMLOXMDCXZWKP-YVEFUNNKSA-N 1 2 327.428 3.757 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4cccc(F)c4)C3)ccc2[nH+]1 ZINC000265732995 1128720951 /nfs/dbraw/zinc/72/09/51/1128720951.db2.gz STFXTHCAEUGVFQ-HNNXBMFYSA-N 1 2 338.386 3.803 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC(C)C)C1CC1 ZINC000354302436 1128725251 /nfs/dbraw/zinc/72/52/51/1128725251.db2.gz QVRWELZNVPOYGZ-UHFFFAOYSA-N 1 2 335.398 3.660 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282312011 1128744947 /nfs/dbraw/zinc/74/49/47/1128744947.db2.gz MURQPGDPGDJNIC-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)n1 ZINC000921799365 1128772265 /nfs/dbraw/zinc/77/22/65/1128772265.db2.gz MULQOJXJPGLRBS-UHFFFAOYSA-N 1 2 332.419 3.907 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c(C2CCCC2)n1 ZINC000921821696 1128788838 /nfs/dbraw/zinc/78/88/38/1128788838.db2.gz QTJPSBVMOIVNEO-UHFFFAOYSA-N 1 2 341.352 3.924 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146569 1128800936 /nfs/dbraw/zinc/80/09/36/1128800936.db2.gz PFYZUSLXEBWOCR-AWEZNQCLSA-N 1 2 349.887 3.540 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c(F)c2)cc1 ZINC000672147242 1128801364 /nfs/dbraw/zinc/80/13/64/1128801364.db2.gz IYVJCMBQESLZPI-KRWDZBQOSA-N 1 2 349.409 3.742 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@H]1CCc4c[nH+]cn4C1)(C2)C3 ZINC000672149892 1128803406 /nfs/dbraw/zinc/80/34/06/1128803406.db2.gz ZVQOKTPKHGSBCQ-GSEWJITGSA-N 1 2 341.499 3.701 20 0 EHADLO CCN(CC)C(=O)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672197734 1128844164 /nfs/dbraw/zinc/84/41/64/1128844164.db2.gz AXQLAVNGERNTRA-UHFFFAOYSA-N 1 2 345.874 3.973 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000734509164 1131243395 /nfs/dbraw/zinc/24/33/95/1131243395.db2.gz LVGSBACTSFWYEJ-LJQANCHMSA-N 1 2 341.430 3.808 20 0 EHADLO C[C@@H]1Cc2cc(CNc3ccccc3OCCn3cc[nH+]c3)ccc2O1 ZINC000921879932 1128870983 /nfs/dbraw/zinc/87/09/83/1128870983.db2.gz GARQHIRTSNHVMZ-MRXNPFEDSA-N 1 2 349.434 3.898 20 0 EHADLO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338757303 1128880036 /nfs/dbraw/zinc/88/00/36/1128880036.db2.gz JSFGRWPYHPYFPI-GJZGRUSLSA-N 1 2 329.831 3.573 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001167110895 1120034161 /nfs/dbraw/zinc/03/41/61/1120034161.db2.gz RAQMSJVOHBDNDS-OAHLLOKOSA-N 1 2 326.444 3.591 20 0 EHADLO CCc1ccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)s1 ZINC000227825943 1120184490 /nfs/dbraw/zinc/18/44/90/1120184490.db2.gz MNPXLQZEOROFOY-UHFFFAOYSA-N 1 2 334.432 3.560 20 0 EHADLO CCc1nn(C)c(CC)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000167769102 1120196817 /nfs/dbraw/zinc/19/68/17/1120196817.db2.gz ASQFVOHGGNTXTG-UHFFFAOYSA-N 1 2 331.851 3.697 20 0 EHADLO c1cn(-c2ccccc2)nc1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001648945696 1120244673 /nfs/dbraw/zinc/24/46/73/1120244673.db2.gz CKVWXSSMBKYNLR-UHFFFAOYSA-N 1 2 341.418 3.619 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CCc4ccc(Cl)cc4C3)on2)cnn1C ZINC000184701811 1120384926 /nfs/dbraw/zinc/38/49/26/1120384926.db2.gz OPXIJENBOQMSBK-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CCc4ccc(Cl)cc4C3)on2)cnn1C ZINC000184701811 1120384932 /nfs/dbraw/zinc/38/49/32/1120384932.db2.gz OPXIJENBOQMSBK-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000185073122 1120399099 /nfs/dbraw/zinc/39/90/99/1120399099.db2.gz FOIJMCTWFZVAJO-HNNXBMFYSA-N 1 2 332.787 3.801 20 0 EHADLO CCCOc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000185611881 1120421280 /nfs/dbraw/zinc/42/12/80/1120421280.db2.gz PQABOBWAWVJOQA-INIZCTEOSA-N 1 2 345.512 3.811 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)n2c1 ZINC000185644402 1120423083 /nfs/dbraw/zinc/42/30/83/1120423083.db2.gz VWUZYEVAPHFJHW-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CCC[C@H]1C ZINC000185967722 1120437410 /nfs/dbraw/zinc/43/74/10/1120437410.db2.gz IAJUAASSFYIFLL-MJGOQNOKSA-N 1 2 343.515 3.973 20 0 EHADLO CC(C)C1(C)CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000186128571 1120444080 /nfs/dbraw/zinc/44/40/80/1120444080.db2.gz SLBVWZVQSVACKG-UHFFFAOYSA-N 1 2 344.503 3.650 20 0 EHADLO Cn1c(C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000186243365 1120450169 /nfs/dbraw/zinc/45/01/69/1120450169.db2.gz IYZSQHYNEHYPAM-UHFFFAOYSA-N 1 2 338.842 3.694 20 0 EHADLO Cn1c(C[N@H+]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000186243365 1120450172 /nfs/dbraw/zinc/45/01/72/1120450172.db2.gz IYZSQHYNEHYPAM-UHFFFAOYSA-N 1 2 338.842 3.694 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccs1 ZINC000186422541 1120460136 /nfs/dbraw/zinc/46/01/36/1120460136.db2.gz WEDIKMLXUDYMDK-CQSZACIVSA-N 1 2 328.441 3.686 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[S@@]1=O ZINC000187555082 1120502664 /nfs/dbraw/zinc/50/26/64/1120502664.db2.gz ABBYBVFVGCTYKE-DEOSSOPVSA-N 1 2 345.512 3.508 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[S@@]1=O ZINC000187555082 1120502665 /nfs/dbraw/zinc/50/26/65/1120502665.db2.gz ABBYBVFVGCTYKE-DEOSSOPVSA-N 1 2 345.512 3.508 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494268950 1120525268 /nfs/dbraw/zinc/52/52/68/1120525268.db2.gz SYJGTCCQTLINKK-SSZFMOIBSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494268950 1120525270 /nfs/dbraw/zinc/52/52/70/1120525270.db2.gz SYJGTCCQTLINKK-SSZFMOIBSA-N 1 2 336.435 3.863 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000494304153 1120530733 /nfs/dbraw/zinc/53/07/33/1120530733.db2.gz QYXUPHKCFFAORN-UHFFFAOYSA-N 1 2 325.456 3.656 20 0 EHADLO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1nc(Cc2ccccc2)no1 ZINC000191594841 1120680907 /nfs/dbraw/zinc/68/09/07/1120680907.db2.gz XWBMAMUBUGPEHV-OAHLLOKOSA-N 1 2 347.418 3.787 20 0 EHADLO Brc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cs1 ZINC000494649893 1120705665 /nfs/dbraw/zinc/70/56/65/1120705665.db2.gz BYLDVWKRTMEMAV-ZDUSSCGKSA-N 1 2 330.291 3.902 20 0 EHADLO Brc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cs1 ZINC000494649893 1120705668 /nfs/dbraw/zinc/70/56/68/1120705668.db2.gz BYLDVWKRTMEMAV-ZDUSSCGKSA-N 1 2 330.291 3.902 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000494627318 1120706187 /nfs/dbraw/zinc/70/61/87/1120706187.db2.gz YCDIUURRUFLRKS-HIFRSBDPSA-N 1 2 343.452 3.799 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000193242709 1120766618 /nfs/dbraw/zinc/76/66/18/1120766618.db2.gz OLSODKVKMMLOGV-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000193242709 1120766619 /nfs/dbraw/zinc/76/66/19/1120766619.db2.gz OLSODKVKMMLOGV-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO CSc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193457798 1120777328 /nfs/dbraw/zinc/77/73/28/1120777328.db2.gz NDNTZQKZPZZCFH-UHFFFAOYSA-N 1 2 341.480 3.724 20 0 EHADLO CC(=O)OC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000153183539 1120792752 /nfs/dbraw/zinc/79/27/52/1120792752.db2.gz SDYAWNRLSYEUBO-UHFFFAOYSA-N 1 2 346.652 3.630 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2occc2Br)c1 ZINC000227365274 1120798879 /nfs/dbraw/zinc/79/88/79/1120798879.db2.gz NYLSGOSUSASFIM-JTQLQIEISA-N 1 2 337.217 3.851 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000494781652 1120806506 /nfs/dbraw/zinc/80/65/06/1120806506.db2.gz IHQNBSQAQZGTFZ-UHFFFAOYSA-N 1 2 334.441 3.563 20 0 EHADLO Cc1sc([C@@H]2COCC[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000226468429 1120811204 /nfs/dbraw/zinc/81/12/04/1120811204.db2.gz CDKCPMMLNPJCNR-LBPRGKRZSA-N 1 2 339.258 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(Cl)c2C)c1C ZINC000194470709 1120845653 /nfs/dbraw/zinc/84/56/53/1120845653.db2.gz QZWJFDQCFYFWBN-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO CO[C@H](C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C)C1CCCC1 ZINC001168473623 1120899003 /nfs/dbraw/zinc/89/90/03/1120899003.db2.gz DMVCYOMUCHZFPK-RTBURBONSA-N 1 2 347.499 3.939 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494938074 1120910916 /nfs/dbraw/zinc/91/09/16/1120910916.db2.gz GUYKNGGPGNIATR-YPQKKHBXSA-N 1 2 343.421 3.752 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000914601315 1120921986 /nfs/dbraw/zinc/92/19/86/1120921986.db2.gz TYCAUIJTCKZXOG-MRXNPFEDSA-N 1 2 332.492 3.840 20 0 EHADLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1OC(F)(F)F ZINC000157035358 1128950048 /nfs/dbraw/zinc/95/00/48/1128950048.db2.gz JNGPAMOTDWXANA-JTQLQIEISA-N 1 2 345.390 3.959 20 0 EHADLO CCCNc1cc(C)[nH+]c(N[C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168479521 1120975802 /nfs/dbraw/zinc/97/58/02/1120975802.db2.gz YDGRWAWVNWJUHD-ZDUSSCGKSA-N 1 2 325.338 3.717 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(-c2ccccc2C)oc1=S ZINC000914783842 1120984237 /nfs/dbraw/zinc/98/42/37/1120984237.db2.gz RWNUNLOSYJCLEO-UHFFFAOYSA-N 1 2 335.473 3.743 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(-c2ccccc2C)oc1=S ZINC000914783842 1120984241 /nfs/dbraw/zinc/98/42/41/1120984241.db2.gz RWNUNLOSYJCLEO-UHFFFAOYSA-N 1 2 335.473 3.743 20 0 EHADLO CC(=O)CC[NH+]1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000914788937 1120988251 /nfs/dbraw/zinc/98/82/51/1120988251.db2.gz VGLLPVSNLLZZKL-UHFFFAOYSA-N 1 2 346.471 3.651 20 0 EHADLO CC(=O)CCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000914788937 1120988253 /nfs/dbraw/zinc/98/82/53/1120988253.db2.gz VGLLPVSNLLZZKL-UHFFFAOYSA-N 1 2 346.471 3.651 20 0 EHADLO CCc1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)on1 ZINC001203225484 1121012544 /nfs/dbraw/zinc/01/25/44/1121012544.db2.gz QOKRDRNVGXRXIX-UHFFFAOYSA-N 1 2 334.366 3.610 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC4(CCC4)C[C@@H]3C)[nH]2)cc1 ZINC000762136947 1121121621 /nfs/dbraw/zinc/12/16/21/1121121621.db2.gz GGZWLVNOYIBEFN-ZDUSSCGKSA-N 1 2 344.484 3.838 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC4(CCC4)C[C@@H]3C)[nH]2)cc1 ZINC000762136947 1121121622 /nfs/dbraw/zinc/12/16/22/1121121622.db2.gz GGZWLVNOYIBEFN-ZDUSSCGKSA-N 1 2 344.484 3.838 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1nnc2ccccn21 ZINC000495385347 1121152193 /nfs/dbraw/zinc/15/21/93/1121152193.db2.gz KUGSCMIQUOJCLY-LJQANCHMSA-N 1 2 347.422 3.871 20 0 EHADLO Cc1cc(C)c(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC001128219073 1128972290 /nfs/dbraw/zinc/97/22/90/1128972290.db2.gz FPHDYPYCYOPPIF-OAHLLOKOSA-N 1 2 348.537 3.874 20 0 EHADLO CN(C)c1cc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc[nH+]1 ZINC000762467554 1121313379 /nfs/dbraw/zinc/31/33/79/1121313379.db2.gz MREIBULWSOEGGY-CMDGGOBGSA-N 1 2 337.452 3.728 20 0 EHADLO CN(C)c1cc(CSc2nnc(-c3ccc(F)cc3)o2)cc[nH+]1 ZINC000762473728 1121316649 /nfs/dbraw/zinc/31/66/49/1121316649.db2.gz VOXSFCZXBOODEM-UHFFFAOYSA-N 1 2 330.388 3.629 20 0 EHADLO CCCC[N@@H+](Cc1ccccc1F)Cn1cnc(-c2ccccn2)n1 ZINC000762488048 1121323825 /nfs/dbraw/zinc/32/38/25/1121323825.db2.gz HPVGDKYOHVEBGW-UHFFFAOYSA-N 1 2 339.418 3.739 20 0 EHADLO CCCC[N@H+](Cc1ccccc1F)Cn1cnc(-c2ccccn2)n1 ZINC000762488048 1121323830 /nfs/dbraw/zinc/32/38/30/1121323830.db2.gz HPVGDKYOHVEBGW-UHFFFAOYSA-N 1 2 339.418 3.739 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000495713659 1121373970 /nfs/dbraw/zinc/37/39/70/1121373970.db2.gz YYHNBGUDEPVVOW-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000495713659 1121373980 /nfs/dbraw/zinc/37/39/80/1121373980.db2.gz YYHNBGUDEPVVOW-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO CCCc1ccc(-c2nc(NC(=O)[C@H]3CSC[NH2+]3)sc2C)cc1 ZINC000236971976 1121470710 /nfs/dbraw/zinc/47/07/10/1121470710.db2.gz JRROAEAMFQNJQI-CQSZACIVSA-N 1 2 347.509 3.672 20 0 EHADLO Cc1ccc(C)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000026215894 1121648942 /nfs/dbraw/zinc/64/89/42/1121648942.db2.gz SXIUPMVVHBFQCL-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CCCc2ccccc2)n1 ZINC000915836782 1121687251 /nfs/dbraw/zinc/68/72/51/1121687251.db2.gz BJQPASVJGOCRKS-UHFFFAOYSA-N 1 2 331.485 3.946 20 0 EHADLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000194158293 1121793291 /nfs/dbraw/zinc/79/32/91/1121793291.db2.gz AJOJYBREAOKIGY-QGZVFWFLSA-N 1 2 345.446 3.754 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444096517 1121796026 /nfs/dbraw/zinc/79/60/26/1121796026.db2.gz PUCSLLHRSAFRLN-SFHVURJKSA-N 1 2 340.471 3.633 20 0 EHADLO O=C(CC[N@@H+]1Cc2cccc(Cl)c2C1)Nc1cc(F)cc(F)c1 ZINC000347469087 1121895075 /nfs/dbraw/zinc/89/50/75/1121895075.db2.gz UNXLBAMQUHEGIY-UHFFFAOYSA-N 1 2 336.769 3.963 20 0 EHADLO O=C(CC[N@H+]1Cc2cccc(Cl)c2C1)Nc1cc(F)cc(F)c1 ZINC000347469087 1121895082 /nfs/dbraw/zinc/89/50/82/1121895082.db2.gz UNXLBAMQUHEGIY-UHFFFAOYSA-N 1 2 336.769 3.963 20 0 EHADLO CC(C)OC(=O)NCc1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000496219958 1122016564 /nfs/dbraw/zinc/01/65/64/1122016564.db2.gz UPEWTERWMZFUOL-UHFFFAOYSA-N 1 2 330.432 3.711 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(Cl)nc1C)c1ccccc1 ZINC000153859215 1122067663 /nfs/dbraw/zinc/06/76/63/1122067663.db2.gz ZRXXVFJMUDWSKL-KRWDZBQOSA-N 1 2 332.831 3.780 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(Cl)nc1C)c1ccccc1 ZINC000153859215 1122067671 /nfs/dbraw/zinc/06/76/71/1122067671.db2.gz ZRXXVFJMUDWSKL-KRWDZBQOSA-N 1 2 332.831 3.780 20 0 EHADLO Cc1ccc(CCCCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000063656018 1122290241 /nfs/dbraw/zinc/29/02/41/1122290241.db2.gz YLXHQRTYKOBXAK-UHFFFAOYSA-N 1 2 343.496 3.791 20 0 EHADLO Cc1ccc(CCCCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000063656018 1122290243 /nfs/dbraw/zinc/29/02/43/1122290243.db2.gz YLXHQRTYKOBXAK-UHFFFAOYSA-N 1 2 343.496 3.791 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000125854857 1122349707 /nfs/dbraw/zinc/34/97/07/1122349707.db2.gz NAPLJSZRYGRHQB-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000125946047 1122363845 /nfs/dbraw/zinc/36/38/45/1122363845.db2.gz RRTNRRHESSOEKM-GOSISDBHSA-N 1 2 340.810 3.916 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000066563216 1122474461 /nfs/dbraw/zinc/47/44/61/1122474461.db2.gz QPNTVKOXNWQRGV-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000066563216 1122474465 /nfs/dbraw/zinc/47/44/65/1122474465.db2.gz QPNTVKOXNWQRGV-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)CC2 ZINC000067461749 1122516129 /nfs/dbraw/zinc/51/61/29/1122516129.db2.gz CPWTZSBOIGMBRJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)CC2 ZINC000067461749 1122516132 /nfs/dbraw/zinc/51/61/32/1122516132.db2.gz CPWTZSBOIGMBRJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO CCCC[N@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)[C@H](C)CC ZINC000917438615 1122602232 /nfs/dbraw/zinc/60/22/32/1122602232.db2.gz ZDDCMTMIJAGJEM-LLVKDONJSA-N 1 2 340.826 3.867 20 0 EHADLO CCCC[N@@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)[C@H](C)CC ZINC000917438615 1122602234 /nfs/dbraw/zinc/60/22/34/1122602234.db2.gz ZDDCMTMIJAGJEM-LLVKDONJSA-N 1 2 340.826 3.867 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000497605217 1122607072 /nfs/dbraw/zinc/60/70/72/1122607072.db2.gz BVUVWMJDYWAVQA-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917455595 1122611996 /nfs/dbraw/zinc/61/19/96/1122611996.db2.gz YXMMQEKXGDEYGF-AWEZNQCLSA-N 1 2 333.505 3.822 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917455595 1122611997 /nfs/dbraw/zinc/61/19/97/1122611997.db2.gz YXMMQEKXGDEYGF-AWEZNQCLSA-N 1 2 333.505 3.822 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000917534198 1122631024 /nfs/dbraw/zinc/63/10/24/1122631024.db2.gz XAJQJUYTXUKGBE-DAXSKMNVSA-N 1 2 336.479 3.590 20 0 EHADLO O=c1c(C(F)(F)F)cc(C2CC2)nn1C[N@H+](C1CC1)C1CCCC1 ZINC000917615597 1122653683 /nfs/dbraw/zinc/65/36/83/1122653683.db2.gz OCVMHJBUXUDSTR-UHFFFAOYSA-N 1 2 341.377 3.504 20 0 EHADLO O=c1c(C(F)(F)F)cc(C2CC2)nn1C[N@@H+](C1CC1)C1CCCC1 ZINC000917615597 1122653688 /nfs/dbraw/zinc/65/36/88/1122653688.db2.gz OCVMHJBUXUDSTR-UHFFFAOYSA-N 1 2 341.377 3.504 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000672777159 1129070649 /nfs/dbraw/zinc/07/06/49/1129070649.db2.gz UEUMNRDIECBMSR-LBPRGKRZSA-N 1 2 336.798 3.853 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(C2CCCC2)n1 ZINC000922074039 1129075911 /nfs/dbraw/zinc/07/59/11/1129075911.db2.gz QEGLSNOPWWETDV-UHFFFAOYSA-N 1 2 341.352 3.924 20 0 EHADLO Cc1cc(C)c(NC(=S)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000918163963 1122770167 /nfs/dbraw/zinc/77/01/67/1122770167.db2.gz PPHSTXXZYTUJRQ-UHFFFAOYSA-N 1 2 336.892 3.920 20 0 EHADLO CCC(CC)[N@H+](Cn1c(=S)nc2nc(C)c(C)c(C)n21)C1CC1 ZINC000918178921 1122772083 /nfs/dbraw/zinc/77/20/83/1122772083.db2.gz LZSFBADKUXVPPN-UHFFFAOYSA-N 1 2 333.505 3.796 20 0 EHADLO CCC(CC)[N@@H+](Cn1c(=S)nc2nc(C)c(C)c(C)n21)C1CC1 ZINC000918178921 1122772088 /nfs/dbraw/zinc/77/20/88/1122772088.db2.gz LZSFBADKUXVPPN-UHFFFAOYSA-N 1 2 333.505 3.796 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183477 1122772865 /nfs/dbraw/zinc/77/28/65/1122772865.db2.gz DQPLRLKJMCYRHA-CYBMUJFWSA-N 1 2 345.830 3.717 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000444949133 1122899868 /nfs/dbraw/zinc/89/98/68/1122899868.db2.gz GNACGHXODSDRAN-INIZCTEOSA-N 1 2 326.444 3.702 20 0 EHADLO COC1(c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)CCCCC1 ZINC000556448869 1122983606 /nfs/dbraw/zinc/98/36/06/1122983606.db2.gz VCZMXKSXLSCJJW-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO CC(C)(C)C(=O)N1CCC(Cn2c[nH+]c(Cc3ccccc3)c2)CC1 ZINC000919151233 1122986873 /nfs/dbraw/zinc/98/68/73/1122986873.db2.gz PTQBEIZOLDUQPL-UHFFFAOYSA-N 1 2 339.483 3.759 20 0 EHADLO Cc1ccc(F)c(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001128329820 1129091614 /nfs/dbraw/zinc/09/16/14/1129091614.db2.gz POFKMVJPNLBNMA-HNNXBMFYSA-N 1 2 346.471 3.644 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCSC(C)(C)C)CC1 ZINC000154921312 1122996278 /nfs/dbraw/zinc/99/62/78/1122996278.db2.gz QXDUXBPGHHSIND-MRXNPFEDSA-N 1 2 349.544 3.599 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nnc(C5CC5)o4)C3)nc2c1 ZINC000130830477 1123008065 /nfs/dbraw/zinc/00/80/65/1123008065.db2.gz QGMLSNHJILIDFE-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)nc2c1 ZINC000130830477 1123008071 /nfs/dbraw/zinc/00/80/71/1123008071.db2.gz QGMLSNHJILIDFE-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nnc(C5CC5)o4)C3)[nH]c2c1 ZINC000130830477 1123008074 /nfs/dbraw/zinc/00/80/74/1123008074.db2.gz QGMLSNHJILIDFE-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)[nH]c2c1 ZINC000130830477 1123008077 /nfs/dbraw/zinc/00/80/77/1123008077.db2.gz QGMLSNHJILIDFE-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)N3CC[NH+](C4CC4)CC3)cc2C1 ZINC000072043745 1123036670 /nfs/dbraw/zinc/03/66/70/1123036670.db2.gz JBZPMBXUURGISX-HNNXBMFYSA-N 1 2 346.540 3.819 20 0 EHADLO CC(C)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1=CCCC1 ZINC000556631964 1123066985 /nfs/dbraw/zinc/06/69/85/1123066985.db2.gz JWBHZJLVWDHVLZ-UHFFFAOYSA-N 1 2 339.443 3.584 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000556884169 1123165280 /nfs/dbraw/zinc/16/52/80/1123165280.db2.gz FDOKKIHGXPQHRF-VNHYZAJKSA-N 1 2 337.876 3.632 20 0 EHADLO CN(CC[N@H+](C)Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000132174943 1123206525 /nfs/dbraw/zinc/20/65/25/1123206525.db2.gz MNHLETIIAGDJJL-UHFFFAOYSA-N 1 2 329.391 3.730 20 0 EHADLO CN(CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000132174943 1123206530 /nfs/dbraw/zinc/20/65/30/1123206530.db2.gz MNHLETIIAGDJJL-UHFFFAOYSA-N 1 2 329.391 3.730 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000073688775 1123216174 /nfs/dbraw/zinc/21/61/74/1123216174.db2.gz ACBFVMASXKMHHT-UHFFFAOYSA-N 1 2 331.213 3.823 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556943756 1123225884 /nfs/dbraw/zinc/22/58/84/1123225884.db2.gz PNLZRTLSYROOKG-CVEARBPZSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556943756 1123225888 /nfs/dbraw/zinc/22/58/88/1123225888.db2.gz PNLZRTLSYROOKG-CVEARBPZSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556943758 1123225970 /nfs/dbraw/zinc/22/59/70/1123225970.db2.gz PNLZRTLSYROOKG-HZPDHXFCSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556943758 1123225973 /nfs/dbraw/zinc/22/59/73/1123225973.db2.gz PNLZRTLSYROOKG-HZPDHXFCSA-N 1 2 338.854 3.777 20 0 EHADLO CCCCCC[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155190841 1123307116 /nfs/dbraw/zinc/30/71/16/1123307116.db2.gz QXCLREZJPCUHRG-OAHLLOKOSA-N 1 2 333.476 3.772 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)cc1F ZINC000075710719 1123412880 /nfs/dbraw/zinc/41/28/80/1123412880.db2.gz ZVXSKRGYFCOAPQ-HXUWFJFHSA-N 1 2 345.389 3.516 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CCO2)cc1F ZINC000075710719 1123412884 /nfs/dbraw/zinc/41/28/84/1123412884.db2.gz ZVXSKRGYFCOAPQ-HXUWFJFHSA-N 1 2 345.389 3.516 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000920768504 1123422091 /nfs/dbraw/zinc/42/20/91/1123422091.db2.gz RXFWESRKGKZGIA-CXOKCQFOSA-N 1 2 331.847 3.781 20 0 EHADLO CCCc1noc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000075863283 1123434145 /nfs/dbraw/zinc/43/41/45/1123434145.db2.gz NPEZBZRMUNGSOG-AWEZNQCLSA-N 1 2 348.878 3.554 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000076064169 1123460841 /nfs/dbraw/zinc/46/08/41/1123460841.db2.gz ZBUGUSPQWYTJKR-GOEBONIOSA-N 1 2 331.485 3.795 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000076064169 1123460843 /nfs/dbraw/zinc/46/08/43/1123460843.db2.gz ZBUGUSPQWYTJKR-GOEBONIOSA-N 1 2 331.485 3.795 20 0 EHADLO CO[C@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000076344725 1123488966 /nfs/dbraw/zinc/48/89/66/1123488966.db2.gz AFNTZWFIWQEWLQ-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000076344725 1123488968 /nfs/dbraw/zinc/48/89/68/1123488968.db2.gz AFNTZWFIWQEWLQ-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c1C ZINC000134082667 1123489364 /nfs/dbraw/zinc/48/93/64/1123489364.db2.gz UWSRFPZBJLSEFC-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(F)cc3C2)c1C ZINC000134082667 1123489368 /nfs/dbraw/zinc/48/93/68/1123489368.db2.gz UWSRFPZBJLSEFC-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Fc1ccccc1CSCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000609495441 1123592499 /nfs/dbraw/zinc/59/24/99/1123592499.db2.gz INXSXOCYSKEUHQ-UHFFFAOYSA-N 1 2 346.475 3.951 20 0 EHADLO Fc1ccccc1CSCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000609495441 1123592504 /nfs/dbraw/zinc/59/25/04/1123592504.db2.gz INXSXOCYSKEUHQ-UHFFFAOYSA-N 1 2 346.475 3.951 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccsc1 ZINC000078083453 1123598056 /nfs/dbraw/zinc/59/80/56/1123598056.db2.gz VNVRHQFRGBZLMV-AWEZNQCLSA-N 1 2 341.436 3.766 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000064440827 1123617987 /nfs/dbraw/zinc/61/79/87/1123617987.db2.gz OHUIGPUXTZQOSB-BBRMVZONSA-N 1 2 349.862 3.535 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000064441309 1123618596 /nfs/dbraw/zinc/61/85/96/1123618596.db2.gz URMHQMPCJGENSW-CQSZACIVSA-N 1 2 339.361 3.747 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484393 1123626035 /nfs/dbraw/zinc/62/60/35/1123626035.db2.gz VZXMMVJTFQRLCS-QZTJIDSGSA-N 1 2 342.487 3.674 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484393 1123626038 /nfs/dbraw/zinc/62/60/38/1123626038.db2.gz VZXMMVJTFQRLCS-QZTJIDSGSA-N 1 2 342.487 3.674 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000175263209 1123644301 /nfs/dbraw/zinc/64/43/01/1123644301.db2.gz GRYUFPCSQAOLKR-QFBILLFUSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000175263209 1123644303 /nfs/dbraw/zinc/64/43/03/1123644303.db2.gz GRYUFPCSQAOLKR-QFBILLFUSA-N 1 2 333.435 3.540 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)s1 ZINC000078828647 1123653588 /nfs/dbraw/zinc/65/35/88/1123653588.db2.gz KCZLQCALMZRVGW-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)s1 ZINC000078828647 1123653590 /nfs/dbraw/zinc/65/35/90/1123653590.db2.gz KCZLQCALMZRVGW-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000136361983 1123689901 /nfs/dbraw/zinc/68/99/01/1123689901.db2.gz LWWOIAGCZBJQCC-AWEZNQCLSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000136361983 1123689903 /nfs/dbraw/zinc/68/99/03/1123689903.db2.gz LWWOIAGCZBJQCC-AWEZNQCLSA-N 1 2 344.484 3.611 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)s1 ZINC000175517751 1123703636 /nfs/dbraw/zinc/70/36/36/1123703636.db2.gz OGFOBZSVBWJLIO-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)s1 ZINC000175517751 1123703639 /nfs/dbraw/zinc/70/36/39/1123703639.db2.gz OGFOBZSVBWJLIO-AWEZNQCLSA-N 1 2 344.402 3.890 20 0 EHADLO O=C(NCCSCc1ccccc1F)Nc1ccc2[nH+]ccn2c1 ZINC000610027006 1123719667 /nfs/dbraw/zinc/71/96/67/1123719667.db2.gz WCWBSJWIVXNSBV-UHFFFAOYSA-N 1 2 344.415 3.528 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025684 1123745262 /nfs/dbraw/zinc/74/52/62/1123745262.db2.gz CIZFIEXMHVOLIS-SFHVURJKSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543041371 1129147975 /nfs/dbraw/zinc/14/79/75/1129147975.db2.gz NFDKTGRXVMWISK-PKOBYXMFSA-N 1 2 346.519 3.911 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(Cl)c1O ZINC000179618003 1123809979 /nfs/dbraw/zinc/80/99/79/1123809979.db2.gz VMQPGADOMHXOEA-UHFFFAOYSA-N 1 2 327.815 3.863 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(Cl)c1O ZINC000179618003 1123809986 /nfs/dbraw/zinc/80/99/86/1123809986.db2.gz VMQPGADOMHXOEA-UHFFFAOYSA-N 1 2 327.815 3.863 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574764 1123849044 /nfs/dbraw/zinc/84/90/44/1123849044.db2.gz QEABEUFVRZERNX-VBHSOAQHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574764 1123849047 /nfs/dbraw/zinc/84/90/47/1123849047.db2.gz QEABEUFVRZERNX-VBHSOAQHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H](CC(=O)N(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000615813700 1123886646 /nfs/dbraw/zinc/88/66/46/1123886646.db2.gz NTEASDIIWHDSJY-VXGBXAGGSA-N 1 2 345.834 3.584 20 0 EHADLO Cc1oc(C)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C ZINC000670789360 1123915212 /nfs/dbraw/zinc/91/52/12/1123915212.db2.gz VRVXYIULAOYWDE-UHFFFAOYSA-N 1 2 342.439 3.598 20 0 EHADLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245929531 1123983862 /nfs/dbraw/zinc/98/38/62/1123983862.db2.gz YFGWWSPYPLWXHT-KGLIPLIRSA-N 1 2 345.443 3.590 20 0 EHADLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245929531 1123983866 /nfs/dbraw/zinc/98/38/66/1123983866.db2.gz YFGWWSPYPLWXHT-KGLIPLIRSA-N 1 2 345.443 3.590 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616330860 1123984732 /nfs/dbraw/zinc/98/47/32/1123984732.db2.gz WILYVZHYFGVFLG-ATZDWAIDSA-N 1 2 325.456 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616330860 1123984734 /nfs/dbraw/zinc/98/47/34/1123984734.db2.gz WILYVZHYFGVFLG-ATZDWAIDSA-N 1 2 325.456 3.773 20 0 EHADLO CC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000245976135 1123993608 /nfs/dbraw/zinc/99/36/08/1123993608.db2.gz BUZQZVQLWCELKU-WFASDCNBSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000245976135 1123993613 /nfs/dbraw/zinc/99/36/13/1123993613.db2.gz BUZQZVQLWCELKU-WFASDCNBSA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000068829911 1124035452 /nfs/dbraw/zinc/03/54/52/1124035452.db2.gz GFTRHLPJRVRFIC-UHFFFAOYSA-N 1 2 349.862 3.816 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(F)n1 ZINC000180641338 1124041729 /nfs/dbraw/zinc/04/17/29/1124041729.db2.gz JDCYOFJFNXTPHN-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000616998632 1124067721 /nfs/dbraw/zinc/06/77/21/1124067721.db2.gz RORQAGKYRIIREI-JTQLQIEISA-N 1 2 345.270 3.549 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000616998632 1124067723 /nfs/dbraw/zinc/06/77/23/1124067723.db2.gz RORQAGKYRIIREI-JTQLQIEISA-N 1 2 345.270 3.549 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466067185 1129165992 /nfs/dbraw/zinc/16/59/92/1129165992.db2.gz BMAHSUSXRAYHBV-SJORKVTESA-N 1 2 330.476 3.542 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(c2ccco2)CC1 ZINC000617379799 1124506077 /nfs/dbraw/zinc/50/60/77/1124506077.db2.gz PPQGRDFCHFNOCH-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246766390 1124548278 /nfs/dbraw/zinc/54/82/78/1124548278.db2.gz RALZKYOMGWSXAI-ZACQAIPSSA-N 1 2 347.503 3.852 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246766390 1124548286 /nfs/dbraw/zinc/54/82/86/1124548286.db2.gz RALZKYOMGWSXAI-ZACQAIPSSA-N 1 2 347.503 3.852 20 0 EHADLO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000247064537 1124585553 /nfs/dbraw/zinc/58/55/53/1124585553.db2.gz NZUGPZGTKVBAJK-YAJHFMINSA-N 1 2 349.950 3.795 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC000617520389 1124623216 /nfs/dbraw/zinc/62/32/16/1124623216.db2.gz RMXYUIKWFJKAPQ-UHFFFAOYSA-N 1 2 345.446 3.848 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)cs2)cc1 ZINC000248841224 1124706390 /nfs/dbraw/zinc/70/63/90/1124706390.db2.gz PSLWSQKOLCCCQH-SCAQPMJSSA-N 1 2 346.496 3.764 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)cs2)cc1 ZINC000248841224 1124706394 /nfs/dbraw/zinc/70/63/94/1124706394.db2.gz PSLWSQKOLCCCQH-SCAQPMJSSA-N 1 2 346.496 3.764 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000248891109 1124713041 /nfs/dbraw/zinc/71/30/41/1124713041.db2.gz YVZFEPZYGCUUOF-LNSITVRQSA-N 1 2 348.493 3.645 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000248891109 1124713050 /nfs/dbraw/zinc/71/30/50/1124713050.db2.gz YVZFEPZYGCUUOF-LNSITVRQSA-N 1 2 348.493 3.645 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249435226 1124755760 /nfs/dbraw/zinc/75/57/60/1124755760.db2.gz KPOQZSQWAXZTBM-ONFYXGJMSA-N 1 2 344.499 3.917 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249435226 1124755763 /nfs/dbraw/zinc/75/57/63/1124755763.db2.gz KPOQZSQWAXZTBM-ONFYXGJMSA-N 1 2 344.499 3.917 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090612050 1124926779 /nfs/dbraw/zinc/92/67/79/1124926779.db2.gz OJVKZUKCRMHTTK-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090612050 1124926786 /nfs/dbraw/zinc/92/67/86/1124926786.db2.gz OJVKZUKCRMHTTK-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000181615178 1124981331 /nfs/dbraw/zinc/98/13/31/1124981331.db2.gz YQBPSKZUXDKZAI-INIZCTEOSA-N 1 2 334.847 3.955 20 0 EHADLO COc1cccc2cc(CNc3cc(CSCCO)cc[nH+]3)oc21 ZINC000763523650 1125260577 /nfs/dbraw/zinc/26/05/77/1125260577.db2.gz KQHUBCTYSHMTKH-UHFFFAOYSA-N 1 2 344.436 3.674 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000093535802 1125268131 /nfs/dbraw/zinc/26/81/31/1125268131.db2.gz CPRZHUSLGFKUAC-IBGZPJMESA-N 1 2 342.414 3.804 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000093535802 1125268133 /nfs/dbraw/zinc/26/81/33/1125268133.db2.gz CPRZHUSLGFKUAC-IBGZPJMESA-N 1 2 342.414 3.804 20 0 EHADLO Cc1cccn2c(CN3CCO[C@H](c4ccc(F)c(C)c4)C3)c[nH+]c12 ZINC000093637594 1125279088 /nfs/dbraw/zinc/27/90/88/1125279088.db2.gz WZKOOEDCMUYXDO-IBGZPJMESA-N 1 2 339.414 3.664 20 0 EHADLO CC1(C)CN(C(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC000619322289 1125334864 /nfs/dbraw/zinc/33/48/64/1125334864.db2.gz YXQPQJWJHVPAHR-SFHVURJKSA-N 1 2 338.455 3.676 20 0 EHADLO O=C(NCCCC1CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152682222 1125368938 /nfs/dbraw/zinc/36/89/38/1125368938.db2.gz VMIZKSWAVNHTSV-MOPGFXCFSA-N 1 2 338.455 3.601 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1C ZINC000649710348 1125418364 /nfs/dbraw/zinc/41/83/64/1125418364.db2.gz XIVCPXCVFRDOJN-UHFFFAOYSA-N 1 2 344.352 3.608 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000619913673 1125431047 /nfs/dbraw/zinc/43/10/47/1125431047.db2.gz OIAFLKVLSPGAKK-CRAIPNDOSA-N 1 2 341.430 3.866 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000067645543 1129292318 /nfs/dbraw/zinc/29/23/18/1129292318.db2.gz XACNTJQDMOQNQQ-UHFFFAOYSA-N 1 2 344.434 3.732 20 0 EHADLO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)cc(F)c1O ZINC000186515561 1129300189 /nfs/dbraw/zinc/30/01/89/1129300189.db2.gz PMNXTVJGZRKINR-CMPLNLGQSA-N 1 2 346.240 3.904 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000079987438 1129313758 /nfs/dbraw/zinc/31/37/58/1129313758.db2.gz QPECCXTZNVEAMT-UHFFFAOYSA-N 1 2 342.487 3.755 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255308 1129355675 /nfs/dbraw/zinc/35/56/75/1129355675.db2.gz OOKURHHGFUQHFM-UHFFFAOYSA-N 1 2 338.382 3.626 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143616926 1129372289 /nfs/dbraw/zinc/37/22/89/1129372289.db2.gz XHNFHZJHMYFIPJ-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143616926 1129372292 /nfs/dbraw/zinc/37/22/92/1129372292.db2.gz XHNFHZJHMYFIPJ-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1ccn(Cc2ccccc2)c1=S ZINC000735666826 1131371131 /nfs/dbraw/zinc/37/11/31/1131371131.db2.gz GCBBIJOYIYTQNK-CABCVRRESA-N 1 2 333.526 3.851 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1ccn(Cc2ccccc2)c1=S ZINC000735666826 1131371137 /nfs/dbraw/zinc/37/11/37/1131371137.db2.gz GCBBIJOYIYTQNK-CABCVRRESA-N 1 2 333.526 3.851 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(Cl)c1Cl ZINC000922261089 1129409095 /nfs/dbraw/zinc/40/90/95/1129409095.db2.gz OKWVJKVMCMGBHM-OAHLLOKOSA-N 1 2 338.234 3.752 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000081317179 1129413017 /nfs/dbraw/zinc/41/30/17/1129413017.db2.gz ZSYRXSGCYBVMGY-QGZVFWFLSA-N 1 2 339.826 3.787 20 0 EHADLO Cc1nc(NC[C@@H](CO)c2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC000673476499 1129452984 /nfs/dbraw/zinc/45/29/84/1129452984.db2.gz WEMBEDTUMVQTLA-AWEZNQCLSA-N 1 2 331.847 3.505 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922365864 1129503193 /nfs/dbraw/zinc/50/31/93/1129503193.db2.gz ISPOPTPSKVRLRI-CQSZACIVSA-N 1 2 328.412 3.606 20 0 EHADLO CC(C)(C(=O)OCc1ccc(N)[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000922408750 1129523342 /nfs/dbraw/zinc/52/33/42/1129523342.db2.gz DXSLNJWAKSKVCA-UHFFFAOYSA-N 1 2 338.329 3.704 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3nc4ccc(F)cc4s3)cn21 ZINC000428861522 1129546648 /nfs/dbraw/zinc/54/66/48/1129546648.db2.gz KQRQICGMUMJKSI-UHFFFAOYSA-N 1 2 326.400 3.681 20 0 EHADLO Cc1cc2cc(C[NH2+]Cc3nc(CN(C)C)cs3)oc2cc1C ZINC000922488617 1129550687 /nfs/dbraw/zinc/55/06/87/1129550687.db2.gz TVMSKDYDBSFFHC-UHFFFAOYSA-N 1 2 329.469 3.858 20 0 EHADLO Cn1cc(-c2ccc(C[NH2+][C@H]3c4ccccc4OC[C@H]3F)s2)cn1 ZINC000922521036 1129560862 /nfs/dbraw/zinc/56/08/62/1129560862.db2.gz RKUJKUCXOJFIIX-QAPCUYQASA-N 1 2 343.427 3.710 20 0 EHADLO FC(F)(F)c1ccc(C[NH2+]Cc2nncn2-c2ccccc2)s1 ZINC000428876865 1129564769 /nfs/dbraw/zinc/56/47/69/1129564769.db2.gz PUBJWPQODWOBFW-UHFFFAOYSA-N 1 2 338.358 3.637 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc[nH+]c1N)c1ccc(Br)cc1 ZINC000922545124 1129569874 /nfs/dbraw/zinc/56/98/74/1129569874.db2.gz XYHUKUWEJJURSA-NSHDSACASA-N 1 2 349.228 3.663 20 0 EHADLO CCOc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC(F)F ZINC000922583231 1129582477 /nfs/dbraw/zinc/58/24/77/1129582477.db2.gz RTKCGRCRDMAUDL-INIZCTEOSA-N 1 2 349.381 3.718 20 0 EHADLO Nc1[nH+]cccc1COC(=O)CC1(CSc2ccccc2)CC1 ZINC000922617073 1129597210 /nfs/dbraw/zinc/59/72/10/1129597210.db2.gz CMJPVTQTLIDWNN-UHFFFAOYSA-N 1 2 328.437 3.670 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2ccc(F)cc2C)cs1)C1CC1 ZINC000922667218 1129619468 /nfs/dbraw/zinc/61/94/68/1129619468.db2.gz KGPZHYKXLLLLOO-LBPRGKRZSA-N 1 2 347.459 3.957 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961943 1129642876 /nfs/dbraw/zinc/64/28/76/1129642876.db2.gz AVRRDCLBCZJPFO-JKSUJKDBSA-N 1 2 328.460 3.606 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961943 1129642877 /nfs/dbraw/zinc/64/28/77/1129642877.db2.gz AVRRDCLBCZJPFO-JKSUJKDBSA-N 1 2 328.460 3.606 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncccn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001168734116 1129649110 /nfs/dbraw/zinc/64/91/10/1129649110.db2.gz RRQOJOQSABJKPM-HUUCEWRRSA-N 1 2 347.422 3.536 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000922775774 1129657698 /nfs/dbraw/zinc/65/76/98/1129657698.db2.gz LMWWYXWIQNJSQM-OCCSQVGLSA-N 1 2 334.778 3.693 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265891080 1129674991 /nfs/dbraw/zinc/67/49/91/1129674991.db2.gz RDZKREWPFDAUAC-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265891080 1129674992 /nfs/dbraw/zinc/67/49/92/1129674992.db2.gz RDZKREWPFDAUAC-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H]1C ZINC000347767079 1129705259 /nfs/dbraw/zinc/70/52/59/1129705259.db2.gz FPBWCKMROZREFO-SOLBZPMBSA-N 1 2 344.503 3.696 20 0 EHADLO O[C@H](C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1)CC1(O)CCC1 ZINC000625113533 1129736198 /nfs/dbraw/zinc/73/61/98/1129736198.db2.gz GKVROSPYKUSZNU-ZDUSSCGKSA-N 1 2 344.282 3.624 20 0 EHADLO O[C@H](C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1)CC1(O)CCC1 ZINC000625113533 1129736200 /nfs/dbraw/zinc/73/62/00/1129736200.db2.gz GKVROSPYKUSZNU-ZDUSSCGKSA-N 1 2 344.282 3.624 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2Br)n1 ZINC000625221606 1129772461 /nfs/dbraw/zinc/77/24/61/1129772461.db2.gz BLPGOTNOWBZPRX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2Br)n1 ZINC000625221606 1129772464 /nfs/dbraw/zinc/77/24/64/1129772464.db2.gz BLPGOTNOWBZPRX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625240631 1129781357 /nfs/dbraw/zinc/78/13/57/1129781357.db2.gz HROFVYGQNIQGPJ-OAHLLOKOSA-N 1 2 343.814 3.689 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000625273403 1129796772 /nfs/dbraw/zinc/79/67/72/1129796772.db2.gz BYOHVIUJUREPTN-STQMWFEESA-N 1 2 344.377 3.607 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000625276258 1129799180 /nfs/dbraw/zinc/79/91/80/1129799180.db2.gz MWSKZHOJHZNHTH-QGZVFWFLSA-N 1 2 325.456 3.577 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4sccc4s3)[nH+]c12 ZINC000673726128 1129812548 /nfs/dbraw/zinc/81/25/48/1129812548.db2.gz IVYRQDHSNQJDNO-UHFFFAOYSA-N 1 2 341.461 3.891 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)c3ccccc3C)[nH+]c12 ZINC000673725681 1129813044 /nfs/dbraw/zinc/81/30/44/1129813044.db2.gz WXBKQCHAZIAQJY-QGZVFWFLSA-N 1 2 335.451 3.804 20 0 EHADLO COc1cncc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)n1 ZINC000625293762 1129814349 /nfs/dbraw/zinc/81/43/49/1129814349.db2.gz BWDOTBDHPUVSGG-MRVPVSSYSA-N 1 2 330.190 3.782 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000766021371 1129815661 /nfs/dbraw/zinc/81/56/61/1129815661.db2.gz PFYDLBUFFVELHT-MRXNPFEDSA-N 1 2 345.855 3.918 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000766021371 1129815665 /nfs/dbraw/zinc/81/56/65/1129815665.db2.gz PFYDLBUFFVELHT-MRXNPFEDSA-N 1 2 345.855 3.918 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3C3CCCC3)[nH+]c12 ZINC000673777314 1129845331 /nfs/dbraw/zinc/84/53/31/1129845331.db2.gz RZKIPRFRCRXFEH-GOSISDBHSA-N 1 2 340.471 3.549 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C3CC(OCc4ccccc4)C3)cc2[nH+]1 ZINC000673793834 1129847656 /nfs/dbraw/zinc/84/76/56/1129847656.db2.gz MUVOSQJIBOJFQD-UHFFFAOYSA-N 1 2 335.407 3.805 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000673812971 1129858121 /nfs/dbraw/zinc/85/81/21/1129858121.db2.gz GJWXOTZNSZBRDJ-UHFFFAOYSA-N 1 2 331.847 3.890 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000132289415 1129890836 /nfs/dbraw/zinc/89/08/36/1129890836.db2.gz MHQOQHOAGPGMGD-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1Br ZINC000673896050 1129898616 /nfs/dbraw/zinc/89/86/16/1129898616.db2.gz VDOQZYXQAKHVSI-JTQLQIEISA-N 1 2 340.290 3.822 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)n1C1CC1 ZINC000429161447 1129901016 /nfs/dbraw/zinc/90/10/16/1129901016.db2.gz VQIKQRIRSLRYIW-INIZCTEOSA-N 1 2 348.903 3.941 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)n1C1CC1 ZINC000429161447 1129901018 /nfs/dbraw/zinc/90/10/18/1129901018.db2.gz VQIKQRIRSLRYIW-INIZCTEOSA-N 1 2 348.903 3.941 20 0 EHADLO BrC1=CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000282467871 1129910028 /nfs/dbraw/zinc/91/00/28/1129910028.db2.gz WANDPUSQJNCMQB-UHFFFAOYSA-N 1 2 346.228 3.753 20 0 EHADLO BrC1=CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000282467871 1129910030 /nfs/dbraw/zinc/91/00/30/1129910030.db2.gz WANDPUSQJNCMQB-UHFFFAOYSA-N 1 2 346.228 3.753 20 0 EHADLO Cc1nc([C@@H]([NH2+][C@@H]2CCCSCC2)c2ccc(Cl)cc2)no1 ZINC000657953166 1129914813 /nfs/dbraw/zinc/91/48/13/1129914813.db2.gz DOPFSIAHWFSCGV-CABCVRRESA-N 1 2 337.876 3.996 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000455786938 1129922268 /nfs/dbraw/zinc/92/22/68/1129922268.db2.gz ULDXMCXRWGCBCZ-HNNXBMFYSA-N 1 2 342.443 3.619 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC3 ZINC000785472199 1129930981 /nfs/dbraw/zinc/93/09/81/1129930981.db2.gz LRKSZPTYTIMNPH-CQSZACIVSA-N 1 2 343.471 3.748 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC3 ZINC000785472199 1129930983 /nfs/dbraw/zinc/93/09/83/1129930983.db2.gz LRKSZPTYTIMNPH-CQSZACIVSA-N 1 2 343.471 3.748 20 0 EHADLO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466570945 1129934346 /nfs/dbraw/zinc/93/43/46/1129934346.db2.gz YYBHKKZUZDQUHD-IEBWSBKVSA-N 1 2 340.471 3.983 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673989993 1129942063 /nfs/dbraw/zinc/94/20/63/1129942063.db2.gz YZFPIXCZSXXJET-OAHLLOKOSA-N 1 2 337.379 3.746 20 0 EHADLO CSc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282491525 1129943007 /nfs/dbraw/zinc/94/30/07/1129943007.db2.gz YIZGFFGKBLCTGY-ZDUSSCGKSA-N 1 2 345.468 3.554 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)N(Cc1ccccc1)C1CC1 ZINC000674009033 1129956176 /nfs/dbraw/zinc/95/61/76/1129956176.db2.gz DVJJVAPLSVBYCK-FQEVSTJZSA-N 1 2 338.426 3.764 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)N(Cc1ccccc1)C1CC1 ZINC000674009033 1129956178 /nfs/dbraw/zinc/95/61/78/1129956178.db2.gz DVJJVAPLSVBYCK-FQEVSTJZSA-N 1 2 338.426 3.764 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651085 1129969163 /nfs/dbraw/zinc/96/91/63/1129969163.db2.gz ZAVIVAYZCMDPIY-TUAOUCFPSA-N 1 2 330.806 3.890 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651085 1129969166 /nfs/dbraw/zinc/96/91/66/1129969166.db2.gz ZAVIVAYZCMDPIY-TUAOUCFPSA-N 1 2 330.806 3.890 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3noc4c3CCCC4)CC2)c1 ZINC000528574735 1130037738 /nfs/dbraw/zinc/03/77/38/1130037738.db2.gz NUCXMJBDFDVNPL-UHFFFAOYSA-N 1 2 330.403 3.736 20 0 EHADLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000429231056 1130112019 /nfs/dbraw/zinc/11/20/19/1130112019.db2.gz ZFONSFOFLOPDAD-UHFFFAOYSA-N 1 2 342.317 3.505 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505592 1130112220 /nfs/dbraw/zinc/11/22/20/1130112220.db2.gz OPWZSGQSDMEACC-INIZCTEOSA-N 1 2 335.451 3.819 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505592 1130112224 /nfs/dbraw/zinc/11/22/24/1130112224.db2.gz OPWZSGQSDMEACC-INIZCTEOSA-N 1 2 335.451 3.819 20 0 EHADLO C[C@H](N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1(C)CC1 ZINC000674637319 1130154120 /nfs/dbraw/zinc/15/41/20/1130154120.db2.gz YUGQPYSSVCRNLK-DOTOQJQBSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000172724701 1130156774 /nfs/dbraw/zinc/15/67/74/1130156774.db2.gz OIMFBJCXQNYQBL-CVEARBPZSA-N 1 2 338.407 3.520 20 0 EHADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000674717155 1130179306 /nfs/dbraw/zinc/17/93/06/1130179306.db2.gz JVVBVSIBBLZDFS-QGZVFWFLSA-N 1 2 336.391 3.964 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674792221 1130195356 /nfs/dbraw/zinc/19/53/56/1130195356.db2.gz PIFQXJQIIDEBHP-GOEBONIOSA-N 1 2 347.459 3.614 20 0 EHADLO Cc1ccc(CC(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC001128939737 1130244129 /nfs/dbraw/zinc/24/41/29/1130244129.db2.gz LITQMTFQCCCDSE-UHFFFAOYSA-N 1 2 336.391 3.936 20 0 EHADLO Cn1c(Cl)nc(Cl)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000766110104 1130327643 /nfs/dbraw/zinc/32/76/43/1130327643.db2.gz SFAUCPJKHIUTEG-UHFFFAOYSA-N 1 2 344.633 3.879 20 0 EHADLO CCC(CC)(CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000675456737 1130386441 /nfs/dbraw/zinc/38/64/41/1130386441.db2.gz JWDLOWBFINQEGF-UHFFFAOYSA-N 1 2 332.488 3.982 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000675832258 1130488810 /nfs/dbraw/zinc/48/88/10/1130488810.db2.gz LPWZVIRXDSOGDM-KBPBESRZSA-N 1 2 341.436 3.928 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@H+](C)Cc1nnc2ccccn21 ZINC000675893580 1130496890 /nfs/dbraw/zinc/49/68/90/1130496890.db2.gz QBPNGRSNLJQGDN-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000675893580 1130496894 /nfs/dbraw/zinc/49/68/94/1130496894.db2.gz QBPNGRSNLJQGDN-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000675896761 1130498198 /nfs/dbraw/zinc/49/81/98/1130498198.db2.gz YGFXNGZNDHIPMZ-JSGCOSHPSA-N 1 2 339.443 3.901 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000727825843 1130597694 /nfs/dbraw/zinc/59/76/94/1130597694.db2.gz ZQWBQRVIUFMRTK-QGZVFWFLSA-N 1 2 334.419 3.715 20 0 EHADLO CC[C@@H]1CCC[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000727825843 1130597699 /nfs/dbraw/zinc/59/76/99/1130597699.db2.gz ZQWBQRVIUFMRTK-QGZVFWFLSA-N 1 2 334.419 3.715 20 0 EHADLO COc1ccccc1/C(C)=C\C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727862129 1130603024 /nfs/dbraw/zinc/60/30/24/1130603024.db2.gz BOPWTFBSBXZEHP-NZHZHZHDSA-N 1 2 341.455 3.526 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC000728043822 1130619843 /nfs/dbraw/zinc/61/98/43/1130619843.db2.gz ZTKKFANKFIRRCW-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000728043822 1130619847 /nfs/dbraw/zinc/61/98/47/1130619847.db2.gz ZTKKFANKFIRRCW-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H]2c2ccccc2)C1 ZINC000728043469 1130620799 /nfs/dbraw/zinc/62/07/99/1130620799.db2.gz GBTHFDPXSWLWSE-ZBFHGGJFSA-N 1 2 328.481 3.829 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H]2c2ccccc2)C1 ZINC000728043469 1130620802 /nfs/dbraw/zinc/62/08/02/1130620802.db2.gz GBTHFDPXSWLWSE-ZBFHGGJFSA-N 1 2 328.481 3.829 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728043134 1130620814 /nfs/dbraw/zinc/62/08/14/1130620814.db2.gz FFPXPULNEIGPLG-GOEBONIOSA-N 1 2 343.496 3.614 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728043134 1130620817 /nfs/dbraw/zinc/62/08/17/1130620817.db2.gz FFPXPULNEIGPLG-GOEBONIOSA-N 1 2 343.496 3.614 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000288284987 1130632345 /nfs/dbraw/zinc/63/23/45/1130632345.db2.gz KXSFYDXQMDHZCZ-UHFFFAOYSA-N 1 2 335.810 3.574 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000288284987 1130632348 /nfs/dbraw/zinc/63/23/48/1130632348.db2.gz KXSFYDXQMDHZCZ-UHFFFAOYSA-N 1 2 335.810 3.574 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000729986153 1130663866 /nfs/dbraw/zinc/66/38/66/1130663866.db2.gz USZIMTMGTLMUMR-INIZCTEOSA-N 1 2 342.512 3.741 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000729986153 1130663869 /nfs/dbraw/zinc/66/38/69/1130663869.db2.gz USZIMTMGTLMUMR-INIZCTEOSA-N 1 2 342.512 3.741 20 0 EHADLO CC[C@@](C)(NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000730904499 1130748404 /nfs/dbraw/zinc/74/84/04/1130748404.db2.gz SSIFORIQUVCBDO-OAQYLSRUSA-N 1 2 348.450 3.997 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2ccccc2F)C1 ZINC000731662074 1130826612 /nfs/dbraw/zinc/82/66/12/1130826612.db2.gz JMUCFYAUJMVIOT-CQSZACIVSA-N 1 2 348.487 3.696 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2ccccc2F)C1 ZINC000731662074 1130826616 /nfs/dbraw/zinc/82/66/16/1130826616.db2.gz JMUCFYAUJMVIOT-CQSZACIVSA-N 1 2 348.487 3.696 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cn21 ZINC000732210474 1130897247 /nfs/dbraw/zinc/89/72/47/1130897247.db2.gz SQOBWEZCWLKIGV-LLGFUMIMSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccc2nc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cn21 ZINC000732210474 1130897252 /nfs/dbraw/zinc/89/72/52/1130897252.db2.gz SQOBWEZCWLKIGV-LLGFUMIMSA-N 1 2 335.451 3.993 20 0 EHADLO O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000732429670 1130925716 /nfs/dbraw/zinc/92/57/16/1130925716.db2.gz UNDZCFJFBISRIO-CQSZACIVSA-N 1 2 342.447 3.523 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000732808571 1130962767 /nfs/dbraw/zinc/96/27/67/1130962767.db2.gz JWDOYVZOAFMOFV-HNNXBMFYSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000732808571 1130962769 /nfs/dbraw/zinc/96/27/69/1130962769.db2.gz JWDOYVZOAFMOFV-HNNXBMFYSA-N 1 2 341.282 3.970 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000733303571 1131019431 /nfs/dbraw/zinc/01/94/31/1131019431.db2.gz CGRRIAOYTRWODY-CYBMUJFWSA-N 1 2 345.830 3.717 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)o1 ZINC000733308493 1131020767 /nfs/dbraw/zinc/02/07/67/1131020767.db2.gz KSROMEXDDPDQHR-UHFFFAOYSA-N 1 2 342.443 3.584 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282554706 1131090493 /nfs/dbraw/zinc/09/04/93/1131090493.db2.gz SDEFFKPOJKSOOR-GFCCVEGCSA-N 1 2 348.472 3.868 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282554706 1131090498 /nfs/dbraw/zinc/09/04/98/1131090498.db2.gz SDEFFKPOJKSOOR-GFCCVEGCSA-N 1 2 348.472 3.868 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nn1)c1ccco1 ZINC000347936713 1131093791 /nfs/dbraw/zinc/09/37/91/1131093791.db2.gz UBCZJXLHAVWXQH-QGZVFWFLSA-N 1 2 339.395 3.729 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC000347943266 1131096860 /nfs/dbraw/zinc/09/68/60/1131096860.db2.gz OONMDZKIXZWUOH-DLBZAZTESA-N 1 2 331.504 3.749 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347969683 1131109751 /nfs/dbraw/zinc/10/97/51/1131109751.db2.gz AOLSCFGYPVGTFF-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000347969683 1131109755 /nfs/dbraw/zinc/10/97/55/1131109755.db2.gz AOLSCFGYPVGTFF-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(OCCC(C)C)CC1 ZINC000348071238 1131138878 /nfs/dbraw/zinc/13/88/78/1131138878.db2.gz XKPICVTZDNAFOK-IBGZPJMESA-N 1 2 333.472 3.818 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)occ1O ZINC000736309663 1131415334 /nfs/dbraw/zinc/41/53/34/1131415334.db2.gz DELWTLJFHLHWAR-CQSZACIVSA-N 1 2 339.313 3.701 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)occ1O ZINC000736309663 1131415336 /nfs/dbraw/zinc/41/53/36/1131415336.db2.gz DELWTLJFHLHWAR-CQSZACIVSA-N 1 2 339.313 3.701 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC/C=C/c1ccccc1 ZINC000737806180 1131456140 /nfs/dbraw/zinc/45/61/40/1131456140.db2.gz JEPJRYNDLRVTKM-DBEXCURXSA-N 1 2 325.456 3.908 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053027 1131461050 /nfs/dbraw/zinc/46/10/50/1131461050.db2.gz GNUMBVBIWOWDAQ-ZBFHGGJFSA-N 1 2 328.456 3.691 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053027 1131461051 /nfs/dbraw/zinc/46/10/51/1131461051.db2.gz GNUMBVBIWOWDAQ-ZBFHGGJFSA-N 1 2 328.456 3.691 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCCO[C@H](C)C3)c2=S)c1 ZINC000738160664 1131462691 /nfs/dbraw/zinc/46/26/91/1131462691.db2.gz KGXWDCKQGFTUGK-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCCO[C@H](C)C3)c2=S)c1 ZINC000738160664 1131462694 /nfs/dbraw/zinc/46/26/94/1131462694.db2.gz KGXWDCKQGFTUGK-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282805 1131465475 /nfs/dbraw/zinc/46/54/75/1131465475.db2.gz BSOZDQHQGBMNRN-OXQOHEQNSA-N 1 2 348.446 3.955 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282805 1131465478 /nfs/dbraw/zinc/46/54/78/1131465478.db2.gz BSOZDQHQGBMNRN-OXQOHEQNSA-N 1 2 348.446 3.955 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000740667856 1131536820 /nfs/dbraw/zinc/53/68/20/1131536820.db2.gz FIOOIMQDBOYERL-ZDUSSCGKSA-N 1 2 333.457 3.683 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861500 1131549527 /nfs/dbraw/zinc/54/95/27/1131549527.db2.gz WWWURKJESJDKQO-STQMWFEESA-N 1 2 332.473 3.621 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861500 1131549532 /nfs/dbraw/zinc/54/95/32/1131549532.db2.gz WWWURKJESJDKQO-STQMWFEESA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943490 1131559187 /nfs/dbraw/zinc/55/91/87/1131559187.db2.gz VXSXAZDQNRZUDA-STQMWFEESA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943490 1131559190 /nfs/dbraw/zinc/55/91/90/1131559190.db2.gz VXSXAZDQNRZUDA-STQMWFEESA-N 1 2 330.378 3.911 20 0 EHADLO CC[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380510 1131600460 /nfs/dbraw/zinc/60/04/60/1131600460.db2.gz BWWBFVKNEBCJMZ-WOJBJXKFSA-N 1 2 339.435 3.582 20 0 EHADLO CC[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380510 1131600461 /nfs/dbraw/zinc/60/04/61/1131600461.db2.gz BWWBFVKNEBCJMZ-WOJBJXKFSA-N 1 2 339.435 3.582 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000741740268 1131641033 /nfs/dbraw/zinc/64/10/33/1131641033.db2.gz PGHGZOWCUKZNHL-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000741777380 1131645083 /nfs/dbraw/zinc/64/50/83/1131645083.db2.gz VTUORZKKKWFKRF-CYBMUJFWSA-N 1 2 330.403 3.738 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000741777380 1131645086 /nfs/dbraw/zinc/64/50/86/1131645086.db2.gz VTUORZKKKWFKRF-CYBMUJFWSA-N 1 2 330.403 3.738 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000741786264 1131648069 /nfs/dbraw/zinc/64/80/69/1131648069.db2.gz DYWRUICLZOYQGS-ZBFHGGJFSA-N 1 2 335.444 3.573 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000741786264 1131648074 /nfs/dbraw/zinc/64/80/74/1131648074.db2.gz DYWRUICLZOYQGS-ZBFHGGJFSA-N 1 2 335.444 3.573 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(Br)cn2)CC[C@H]1c1ccccc1 ZINC000742164430 1131691841 /nfs/dbraw/zinc/69/18/41/1131691841.db2.gz IDRABUPDUZDNPC-CZUORRHYSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(Br)cn2)CC[C@H]1c1ccccc1 ZINC000742164430 1131691844 /nfs/dbraw/zinc/69/18/44/1131691844.db2.gz IDRABUPDUZDNPC-CZUORRHYSA-N 1 2 334.261 3.729 20 0 EHADLO Cc1ccc(-n2cnn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2=S)cc1Cl ZINC000742166819 1131692006 /nfs/dbraw/zinc/69/20/06/1131692006.db2.gz RHSJSTOWGYXRAD-OKILXGFUSA-N 1 2 348.903 3.910 20 0 EHADLO Cc1ccc(-n2cnn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2=S)cc1Cl ZINC000742166819 1131692010 /nfs/dbraw/zinc/69/20/10/1131692010.db2.gz RHSJSTOWGYXRAD-OKILXGFUSA-N 1 2 348.903 3.910 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C[C@@H]21 ZINC000742166868 1131692049 /nfs/dbraw/zinc/69/20/49/1131692049.db2.gz RUPMJWASCPWPCS-VMZPBXKQSA-N 1 2 326.469 3.656 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C[C@@H]21 ZINC000742166868 1131692051 /nfs/dbraw/zinc/69/20/51/1131692051.db2.gz RUPMJWASCPWPCS-VMZPBXKQSA-N 1 2 326.469 3.656 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000742238526 1131699834 /nfs/dbraw/zinc/69/98/34/1131699834.db2.gz GUONGWNWLVLCIZ-UHFFFAOYSA-N 1 2 338.442 3.506 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000742238526 1131699838 /nfs/dbraw/zinc/69/98/38/1131699838.db2.gz GUONGWNWLVLCIZ-UHFFFAOYSA-N 1 2 338.442 3.506 20 0 EHADLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@@H](C)CCOC(C)C ZINC001172436715 1131741463 /nfs/dbraw/zinc/74/14/63/1131741463.db2.gz HPQVFQMXPXVYQH-JXFKEZNVSA-N 1 2 343.467 3.717 20 0 EHADLO C/C(=C/C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000742572846 1131751997 /nfs/dbraw/zinc/75/19/97/1131751997.db2.gz ABEGYVNQNRDKTD-SQFISAMPSA-N 1 2 327.428 3.893 20 0 EHADLO CCCCCC[C@H](CCCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172518631 1131766062 /nfs/dbraw/zinc/76/60/62/1131766062.db2.gz ZUIDMRJKQGRYST-HOTGVXAUSA-N 1 2 329.481 3.600 20 0 EHADLO C/C(=C/C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)C(C)(C)C ZINC000742695739 1131775270 /nfs/dbraw/zinc/77/52/70/1131775270.db2.gz VMPYUQFDHKBGCM-VBKFSLOCSA-N 1 2 330.472 3.758 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572376 1131777901 /nfs/dbraw/zinc/77/79/01/1131777901.db2.gz VVKZBSRCCMHXOU-QLJPJBMISA-N 1 2 349.780 3.526 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572376 1131777909 /nfs/dbraw/zinc/77/79/09/1131777909.db2.gz VVKZBSRCCMHXOU-QLJPJBMISA-N 1 2 349.780 3.526 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC001212668304 1131784746 /nfs/dbraw/zinc/78/47/46/1131784746.db2.gz SHJKONISGVCAAW-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC2(F)F)CCN1C(=O)OC(C)(C)C ZINC001172624400 1131808629 /nfs/dbraw/zinc/80/86/29/1131808629.db2.gz XCDSZQWYJIKYFO-MJBXVCDLSA-N 1 2 332.435 3.942 20 0 EHADLO FC(F)(F)Oc1ccncc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695041 1131924260 /nfs/dbraw/zinc/92/42/60/1131924260.db2.gz KJYWLGJFUJHGRU-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO c1cnn(Cc2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2)c1 ZINC001212696893 1131935241 /nfs/dbraw/zinc/93/52/41/1131935241.db2.gz SHBQPTAGTBECNZ-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO COC(=O)c1c(C)ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212699960 1131935663 /nfs/dbraw/zinc/93/56/63/1131935663.db2.gz MOIHXUDILVVTRD-UHFFFAOYSA-N 1 2 339.370 3.909 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173116574 1131972276 /nfs/dbraw/zinc/97/22/76/1131972276.db2.gz SDUOWPCMSWHJJJ-UHFFFAOYSA-N 1 2 346.519 3.912 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173116574 1131972280 /nfs/dbraw/zinc/97/22/80/1131972280.db2.gz SDUOWPCMSWHJJJ-UHFFFAOYSA-N 1 2 346.519 3.912 20 0 EHADLO CC(C)CC[C@H]([NH2+][C@H]1CCc2ncsc2C1)C(=O)OC(C)(C)C ZINC001173130345 1131976648 /nfs/dbraw/zinc/97/66/48/1131976648.db2.gz WGYNVBNGMLWZKY-ZFWWWQNUSA-N 1 2 338.517 3.737 20 0 EHADLO C/C(=C\C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000743832192 1131982256 /nfs/dbraw/zinc/98/22/56/1131982256.db2.gz CHBKUMOOELFOFF-SAPNQHFASA-N 1 2 336.435 3.561 20 0 EHADLO CCCC[C@@H](CC(C)C)[NH2+][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001173252509 1132020102 /nfs/dbraw/zinc/02/01/02/1132020102.db2.gz JCTCNSZACUGMLN-NZSAHSFTSA-N 1 2 335.488 3.674 20 0 EHADLO CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)C1 ZINC001173263081 1132023617 /nfs/dbraw/zinc/02/36/17/1132023617.db2.gz ILIKDZDHIADNOT-KYJSFNMBSA-N 1 2 333.472 3.813 20 0 EHADLO Cn1c(Cl)cnc1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000744229562 1132051076 /nfs/dbraw/zinc/05/10/76/1132051076.db2.gz VPRPXVNDMQMAAA-UHFFFAOYSA-N 1 2 328.847 3.934 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342227 1132056215 /nfs/dbraw/zinc/05/62/15/1132056215.db2.gz BNUGPIUSYBFBSP-QGZVFWFLSA-N 1 2 346.519 3.912 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342227 1132056221 /nfs/dbraw/zinc/05/62/21/1132056221.db2.gz BNUGPIUSYBFBSP-QGZVFWFLSA-N 1 2 346.519 3.912 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C2CCCC2)CC1 ZINC000744412515 1132087944 /nfs/dbraw/zinc/08/79/44/1132087944.db2.gz QHLZWTPDCZFEEX-CYBMUJFWSA-N 1 2 335.879 3.964 20 0 EHADLO C[C@@H]1CC([NH+]2CC(F)(C3CC3)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678954 1132119521 /nfs/dbraw/zinc/11/95/21/1132119521.db2.gz WROYHJLUMYEOQU-CHWSQXEVSA-N 1 2 326.456 3.597 20 0 EHADLO CC(=O)Nc1ccccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001173990868 1132196846 /nfs/dbraw/zinc/19/68/46/1132196846.db2.gz WTQNWVLGQORRKZ-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO O=C(OCc1cccc(Cl)n1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104978 1132198398 /nfs/dbraw/zinc/19/83/98/1132198398.db2.gz PPZIWVMFGIULFQ-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1cccc(Cl)n1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104978 1132198400 /nfs/dbraw/zinc/19/84/00/1132198400.db2.gz PPZIWVMFGIULFQ-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(c1ccc(NC2=CCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001173998749 1132198650 /nfs/dbraw/zinc/19/86/50/1132198650.db2.gz BKMMWBDINNCXDB-UHFFFAOYSA-N 1 2 348.450 3.524 20 0 EHADLO COc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1F ZINC001173971702 1132204330 /nfs/dbraw/zinc/20/43/30/1132204330.db2.gz YSDLJWHZIOSXRV-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1ccc[nH+]c1N1CCCCC1 ZINC001174052825 1132208553 /nfs/dbraw/zinc/20/85/53/1132208553.db2.gz UWIICRGHYNEJHL-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001174147870 1132254137 /nfs/dbraw/zinc/25/41/37/1132254137.db2.gz GJVLZJZDYIERKZ-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC001174162184 1132261813 /nfs/dbraw/zinc/26/18/13/1132261813.db2.gz UYVWMXCUOCXUPZ-UHFFFAOYSA-N 1 2 348.450 3.788 20 0 EHADLO CC[N@H+](C)c1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC001174289555 1132299166 /nfs/dbraw/zinc/29/91/66/1132299166.db2.gz ZGCGTTFQIHTXRY-UHFFFAOYSA-N 1 2 347.484 3.573 20 0 EHADLO CC[N@@H+](C)c1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC001174289555 1132299174 /nfs/dbraw/zinc/29/91/74/1132299174.db2.gz ZGCGTTFQIHTXRY-UHFFFAOYSA-N 1 2 347.484 3.573 20 0 EHADLO Brc1cc(Nc2ccc3n[nH]cc3c2)cn2cc[nH+]c12 ZINC001174275496 1132309094 /nfs/dbraw/zinc/30/90/94/1132309094.db2.gz YERSGCHJTIXFEC-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Cn1c[nH+]c2ccc(-n3cc(N)c4cc(Br)ccc43)cc21 ZINC001174347413 1132326519 /nfs/dbraw/zinc/32/65/19/1132326519.db2.gz JNRYAFVKZKGUOA-UHFFFAOYSA-N 1 2 341.212 3.862 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cc(S(C)(=O)=O)ccc3F)ccc21 ZINC001174381109 1132343990 /nfs/dbraw/zinc/34/39/90/1132343990.db2.gz FPWJXLYBWHEMPI-UHFFFAOYSA-N 1 2 347.415 3.903 20 0 EHADLO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1nc(C)n(C2CC2)c1=S ZINC000746034098 1132352030 /nfs/dbraw/zinc/35/20/30/1132352030.db2.gz JWMHIGOUOFMAPT-UHFFFAOYSA-N 1 2 346.500 3.936 20 0 EHADLO CCC[N@H+](Cc1ccc(OC)cc1)Cn1nc(C)n(C2CC2)c1=S ZINC000746034098 1132352039 /nfs/dbraw/zinc/35/20/39/1132352039.db2.gz JWMHIGOUOFMAPT-UHFFFAOYSA-N 1 2 346.500 3.936 20 0 EHADLO Cc1c(F)cccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432377 1132353266 /nfs/dbraw/zinc/35/32/66/1132353266.db2.gz PEYGMQJVWGSXSB-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183389029 1132364032 /nfs/dbraw/zinc/36/40/32/1132364032.db2.gz VHJLMCRUMVZWTA-CJNGLKHVSA-N 1 2 333.407 3.766 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183389029 1132364041 /nfs/dbraw/zinc/36/40/41/1132364041.db2.gz VHJLMCRUMVZWTA-CJNGLKHVSA-N 1 2 333.407 3.766 20 0 EHADLO CC[N@H+](CCc1cccs1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000746070760 1132364778 /nfs/dbraw/zinc/36/47/78/1132364778.db2.gz YNGBYIHPYZLNTA-UHFFFAOYSA-N 1 2 348.497 3.795 20 0 EHADLO CC[N@@H+](CCc1cccs1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000746070760 1132364786 /nfs/dbraw/zinc/36/47/86/1132364786.db2.gz YNGBYIHPYZLNTA-UHFFFAOYSA-N 1 2 348.497 3.795 20 0 EHADLO CC[N@H+](CCc1cccs1)Cn1nc2n(c1=S)CCCCC2 ZINC000746069916 1132365371 /nfs/dbraw/zinc/36/53/71/1132365371.db2.gz CZNHQXXZJHGJQS-UHFFFAOYSA-N 1 2 336.530 3.724 20 0 EHADLO CC[N@@H+](CCc1cccs1)Cn1nc2n(c1=S)CCCCC2 ZINC000746069916 1132365381 /nfs/dbraw/zinc/36/53/81/1132365381.db2.gz CZNHQXXZJHGJQS-UHFFFAOYSA-N 1 2 336.530 3.724 20 0 EHADLO Cc1ccc2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2n1 ZINC000746141764 1132382929 /nfs/dbraw/zinc/38/29/29/1132382929.db2.gz IGLISHBYLJJAIC-GOSISDBHSA-N 1 2 336.439 3.584 20 0 EHADLO CNC(=O)c1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001174509724 1132394738 /nfs/dbraw/zinc/39/47/38/1132394738.db2.gz IQUNGXJHNGWLLA-UHFFFAOYSA-N 1 2 342.399 3.532 20 0 EHADLO O[C@H]1CCOc2c(Nc3ccc(N4CCCCC4)[nH+]c3)cccc21 ZINC001174523772 1132400026 /nfs/dbraw/zinc/40/00/26/1132400026.db2.gz QQLMOMYKRMOEDS-KRWDZBQOSA-N 1 2 325.412 3.631 20 0 EHADLO O=C1c2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc2CN1C1CC1 ZINC001174524764 1132401610 /nfs/dbraw/zinc/40/16/10/1132401610.db2.gz PMJCEAXGVVINBS-UHFFFAOYSA-N 1 2 348.450 3.934 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188665998 1132438217 /nfs/dbraw/zinc/43/82/17/1132438217.db2.gz JPARQINOURMOLY-IBGZPJMESA-N 1 2 339.826 3.902 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188665998 1132438223 /nfs/dbraw/zinc/43/82/23/1132438223.db2.gz JPARQINOURMOLY-IBGZPJMESA-N 1 2 339.826 3.902 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000188995553 1132441396 /nfs/dbraw/zinc/44/13/96/1132441396.db2.gz YIOAHSWYHJCWIV-SFHVURJKSA-N 1 2 325.412 3.910 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000188995553 1132441405 /nfs/dbraw/zinc/44/14/05/1132441405.db2.gz YIOAHSWYHJCWIV-SFHVURJKSA-N 1 2 325.412 3.910 20 0 EHADLO Cc1cccc(Oc2ccccc2CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000193179437 1132479844 /nfs/dbraw/zinc/47/98/44/1132479844.db2.gz LLBOXDLFBKTEJM-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1cccc(Oc2ccccc2CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000193179437 1132479849 /nfs/dbraw/zinc/47/98/49/1132479849.db2.gz LLBOXDLFBKTEJM-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000193623305 1132483231 /nfs/dbraw/zinc/48/32/31/1132483231.db2.gz XUXMTKZUPVTUDX-UHFFFAOYSA-N 1 2 349.887 3.779 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000193623305 1132483238 /nfs/dbraw/zinc/48/32/38/1132483238.db2.gz XUXMTKZUPVTUDX-UHFFFAOYSA-N 1 2 349.887 3.779 20 0 EHADLO CC[C@H]1C[N@H+](Cn2ncn(CC)c2=S)CC[C@@H]1c1ccccc1 ZINC000746382791 1132504704 /nfs/dbraw/zinc/50/47/04/1132504704.db2.gz OIVMUPDBMKTONL-RDJZCZTQSA-N 1 2 330.501 3.907 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2ncn(CC)c2=S)CC[C@@H]1c1ccccc1 ZINC000746382791 1132504711 /nfs/dbraw/zinc/50/47/11/1132504711.db2.gz OIVMUPDBMKTONL-RDJZCZTQSA-N 1 2 330.501 3.907 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974151 1132509548 /nfs/dbraw/zinc/50/95/48/1132509548.db2.gz JHDPKXJWIRDDEI-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977192 1132511575 /nfs/dbraw/zinc/51/15/75/1132511575.db2.gz OOLJPTCSQHQBPP-UHFFFAOYSA-N 1 2 327.428 3.799 20 0 EHADLO COc1cccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766401920 1132529763 /nfs/dbraw/zinc/52/97/63/1132529763.db2.gz KQCTZNAMYPQYIZ-GFCCVEGCSA-N 1 2 325.416 3.763 20 0 EHADLO CCN(C)c1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407005 1132531133 /nfs/dbraw/zinc/53/11/33/1132531133.db2.gz HTESVTZQVKGBFE-UHFFFAOYSA-N 1 2 338.459 3.650 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CSc2ccccc21 ZINC000766410469 1132533250 /nfs/dbraw/zinc/53/32/50/1132533250.db2.gz YUTMZCKIKBYSBO-ZDUSSCGKSA-N 1 2 325.441 3.840 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301175 1132609610 /nfs/dbraw/zinc/60/96/10/1132609610.db2.gz NXWYQSGRDXRAAN-MFKMUULPSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301175 1132609614 /nfs/dbraw/zinc/60/96/14/1132609614.db2.gz NXWYQSGRDXRAAN-MFKMUULPSA-N 1 2 328.243 3.640 20 0 EHADLO CN(C)c1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)c[nH+]1 ZINC001175343223 1132627476 /nfs/dbraw/zinc/62/74/76/1132627476.db2.gz AVLCINJUBVITES-CQSZACIVSA-N 1 2 331.391 3.588 20 0 EHADLO CN(C)c1ccc(Nc2cc(Cl)cc(Br)n2)c[nH+]1 ZINC001175342686 1132628020 /nfs/dbraw/zinc/62/80/20/1132628020.db2.gz WETAXCFVAKPCAM-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO COc1cc(Nc2ccc(N(C)C)[nH+]c2)c(Br)cc1F ZINC001175346684 1132628797 /nfs/dbraw/zinc/62/87/97/1132628797.db2.gz XMBHLJGVWHWNKM-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)n1 ZINC001175345872 1132629328 /nfs/dbraw/zinc/62/93/28/1132629328.db2.gz HIUYWHPEQDDHNI-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Cc1nc(Cl)nc(NCCc2cn3ccccc3[nH+]2)c1C1CC1 ZINC001169005603 1132630247 /nfs/dbraw/zinc/63/02/47/1132630247.db2.gz UTOOMTQQWXLZFB-UHFFFAOYSA-N 1 2 327.819 3.618 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c(F)c1 ZINC001175320457 1132638243 /nfs/dbraw/zinc/63/82/43/1132638243.db2.gz GNYKRDGAGDDADZ-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO CN(C)c1ccc(Nc2ccc(Cl)nc2Br)c[nH+]1 ZINC001175338325 1132642921 /nfs/dbraw/zinc/64/29/21/1132642921.db2.gz BZOIOKQPZBAEHH-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc21 ZINC001175352484 1132647024 /nfs/dbraw/zinc/64/70/24/1132647024.db2.gz PVFNQTBRKGZELP-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO Fc1cc(CNc2ccc(F)c(-n3cc[nH+]c3)c2)c2c(c1)COCO2 ZINC001169099041 1132654636 /nfs/dbraw/zinc/65/46/36/1132654636.db2.gz RUUQJZASTLMSIF-UHFFFAOYSA-N 1 2 343.333 3.629 20 0 EHADLO COc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1F ZINC001175395496 1132659037 /nfs/dbraw/zinc/65/90/37/1132659037.db2.gz JATKWCFLHDDXAT-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cn1ncc2cc(Nc3ccc4[nH+]cc(Br)n4c3)ccc21 ZINC001175420561 1132662999 /nfs/dbraw/zinc/66/29/99/1132662999.db2.gz BYBJZLPLUKCBKY-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Cc1cc(CNc2cc[nH+]c(OC(C)C)c2)ncc1Br ZINC001169199333 1132690356 /nfs/dbraw/zinc/69/03/56/1132690356.db2.gz ICHNNPOVWSXMRT-UHFFFAOYSA-N 1 2 336.233 3.947 20 0 EHADLO FC(F)(F)Oc1ccc(CCNc2ccc3c([nH+]2)CCOC3)cc1 ZINC001169348293 1132726725 /nfs/dbraw/zinc/72/67/25/1132726725.db2.gz LXAJRFMRMMLJSE-UHFFFAOYSA-N 1 2 338.329 3.708 20 0 EHADLO CCOC(=O)Cc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713450 1132740196 /nfs/dbraw/zinc/74/01/96/1132740196.db2.gz IHYBNMIXYNZEDY-UHFFFAOYSA-N 1 2 339.317 3.532 20 0 EHADLO Cc1[nH]c(=O)c(CNc2[nH+]cccc2-n2cccc2)c2c1CCCC2 ZINC001169398835 1132747206 /nfs/dbraw/zinc/74/72/06/1132747206.db2.gz BXPVLMPYGZTDIC-UHFFFAOYSA-N 1 2 334.423 3.772 20 0 EHADLO Cc1nc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1Br ZINC001175708574 1132755000 /nfs/dbraw/zinc/75/50/00/1132755000.db2.gz SMTLSQGFILXPHK-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO CCc1cc(C(=O)OC)c(Nc2c[nH+]c(N)cc2C(F)(F)F)s1 ZINC001175709825 1132755876 /nfs/dbraw/zinc/75/58/76/1132755876.db2.gz LXLJACBPVBJALW-UHFFFAOYSA-N 1 2 345.346 3.837 20 0 EHADLO O=C(OCc1cnoc1C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000773524924 1132771584 /nfs/dbraw/zinc/77/15/84/1132771584.db2.gz XYINTBQVWSYRIY-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1cnoc1C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000773524924 1132771590 /nfs/dbraw/zinc/77/15/90/1132771590.db2.gz XYINTBQVWSYRIY-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001169486203 1132775173 /nfs/dbraw/zinc/77/51/73/1132775173.db2.gz DEXZTMALKYBNGV-WBVHZDCISA-N 1 2 338.442 3.758 20 0 EHADLO CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001169486203 1132775182 /nfs/dbraw/zinc/77/51/82/1132775182.db2.gz DEXZTMALKYBNGV-WBVHZDCISA-N 1 2 338.442 3.758 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC001175870343 1132789109 /nfs/dbraw/zinc/78/91/09/1132789109.db2.gz FKXUYQDTPJRSQN-YGRLFVJLSA-N 1 2 337.769 3.890 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC001175870343 1132789116 /nfs/dbraw/zinc/78/91/16/1132789116.db2.gz FKXUYQDTPJRSQN-YGRLFVJLSA-N 1 2 337.769 3.890 20 0 EHADLO Cc1ccc(Nc2cc(S(=O)(=O)N3CCCC3)ccc2C)c(C)[nH+]1 ZINC001176005613 1132815981 /nfs/dbraw/zinc/81/59/81/1132815981.db2.gz VMOKBOJYANSLOB-UHFFFAOYSA-N 1 2 345.468 3.535 20 0 EHADLO CCOC(=O)C[C@H](Nc1cc2cc(F)ccc2c[nH+]1)c1cccnc1 ZINC001169673589 1132824653 /nfs/dbraw/zinc/82/46/53/1132824653.db2.gz OAQSKTZWZNDNJG-KRWDZBQOSA-N 1 2 339.370 3.875 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)[nH+]c1C ZINC001176076400 1132829792 /nfs/dbraw/zinc/82/97/92/1132829792.db2.gz FOMLCRNHIAWMLM-INIZCTEOSA-N 1 2 343.862 3.904 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001176135539 1132842886 /nfs/dbraw/zinc/84/28/86/1132842886.db2.gz ARQPQYWMPOQTTK-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001176135539 1132842893 /nfs/dbraw/zinc/84/28/93/1132842893.db2.gz ARQPQYWMPOQTTK-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC001169732712 1132843350 /nfs/dbraw/zinc/84/33/50/1132843350.db2.gz JLHBXYKKVKRFHM-UHFFFAOYSA-N 1 2 338.245 3.736 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC001169732712 1132843357 /nfs/dbraw/zinc/84/33/57/1132843357.db2.gz JLHBXYKKVKRFHM-UHFFFAOYSA-N 1 2 338.245 3.736 20 0 EHADLO COc1cc[nH+]cc1N(c1cc(Br)ccc1N)C(C)C ZINC001176125150 1132854515 /nfs/dbraw/zinc/85/45/15/1132854515.db2.gz XMQQOLSMWVZDGE-UHFFFAOYSA-N 1 2 336.233 3.981 20 0 EHADLO CCOc1cc(Nc2cc(C(=O)N3CCCC3)ccc2F)cc(C)[nH+]1 ZINC001176211448 1132875496 /nfs/dbraw/zinc/87/54/96/1132875496.db2.gz CKNBLWYNHPSFTH-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO CC(C)c1cc(NC[C@H](CO)Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC001169897920 1132891082 /nfs/dbraw/zinc/89/10/82/1132891082.db2.gz SUZNZDFYXDLJCV-QGZVFWFLSA-N 1 2 327.472 3.987 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@]3(C)CC3(C)C)c2)cc[nH+]1 ZINC001176357233 1132919992 /nfs/dbraw/zinc/91/99/92/1132919992.db2.gz KREUTANQFHDBDT-FQEVSTJZSA-N 1 2 338.455 3.563 20 0 EHADLO NC(=[NH+]OCc1ccn(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000767053951 1132937882 /nfs/dbraw/zinc/93/78/82/1132937882.db2.gz MXPKJYDFSUFJSX-UHFFFAOYSA-N 1 2 326.787 3.572 20 0 EHADLO CC[N@H+](C)c1ccc(Nc2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001176502034 1132951673 /nfs/dbraw/zinc/95/16/73/1132951673.db2.gz DAKLFPXJWNCEPQ-UHFFFAOYSA-N 1 2 329.419 3.862 20 0 EHADLO CC[N@@H+](C)c1ccc(Nc2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001176502034 1132951677 /nfs/dbraw/zinc/95/16/77/1132951677.db2.gz DAKLFPXJWNCEPQ-UHFFFAOYSA-N 1 2 329.419 3.862 20 0 EHADLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(F)cc2Cl)cn1 ZINC001176534126 1132958284 /nfs/dbraw/zinc/95/82/84/1132958284.db2.gz VXZMMYVTLZPBBZ-MRXNPFEDSA-N 1 2 339.867 3.893 20 0 EHADLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(F)cc2Cl)cn1 ZINC001176534126 1132958290 /nfs/dbraw/zinc/95/82/90/1132958290.db2.gz VXZMMYVTLZPBBZ-MRXNPFEDSA-N 1 2 339.867 3.893 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001176639546 1132974680 /nfs/dbraw/zinc/97/46/80/1132974680.db2.gz JUINAONRJZPGEZ-SIFUEBAJSA-N 1 2 340.389 3.575 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001176639546 1132974683 /nfs/dbraw/zinc/97/46/83/1132974683.db2.gz JUINAONRJZPGEZ-SIFUEBAJSA-N 1 2 340.389 3.575 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)cc(Br)n1 ZINC001176750791 1132992755 /nfs/dbraw/zinc/99/27/55/1132992755.db2.gz WYEPHWNNNLKITF-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)Cc2c[nH]c[nH+]2)cc1O ZINC001176833706 1133004506 /nfs/dbraw/zinc/00/45/06/1133004506.db2.gz SFMXDSATRKRROG-UHFFFAOYSA-N 1 2 329.444 3.892 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(O)(C(C)C)CC3)nc(=O)c2c1C ZINC001176921254 1133009392 /nfs/dbraw/zinc/00/93/92/1133009392.db2.gz KGBWVOOSJIDCBF-GFCCVEGCSA-N 1 2 349.500 3.558 20 0 EHADLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1C1CCCCC1 ZINC001176965599 1133016006 /nfs/dbraw/zinc/01/60/06/1133016006.db2.gz QSZIJCVRMIUUFG-OALUTQOASA-N 1 2 341.499 3.869 20 0 EHADLO COC(=O)[C@]1([NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H](C)c2ccccc21 ZINC001176944874 1133018215 /nfs/dbraw/zinc/01/82/15/1133018215.db2.gz CGHRDLKUWIPSDL-HUKLNQKOSA-N 1 2 349.421 3.833 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1Cl ZINC001177013898 1133021487 /nfs/dbraw/zinc/02/14/87/1133021487.db2.gz QYENNJMOIWOJAZ-MRXNPFEDSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)CN(C)c2cccc[nH+]2)cc1C ZINC001177412133 1133063476 /nfs/dbraw/zinc/06/34/76/1133063476.db2.gz ISSWHJSHAVBDQT-IBGZPJMESA-N 1 2 337.467 3.888 20 0 EHADLO Fc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1F ZINC001177487885 1133069681 /nfs/dbraw/zinc/06/96/81/1133069681.db2.gz TXXFAYCOARNBPV-UHFFFAOYSA-N 1 2 331.135 3.551 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000767964529 1133078616 /nfs/dbraw/zinc/07/86/16/1133078616.db2.gz FIAOLAPUQUOKIC-CRAIPNDOSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000767964529 1133078621 /nfs/dbraw/zinc/07/86/21/1133078621.db2.gz FIAOLAPUQUOKIC-CRAIPNDOSA-N 1 2 334.847 3.610 20 0 EHADLO C[N@H+](Cc1cccs1)Cc1ccccc1I ZINC000768159903 1133102470 /nfs/dbraw/zinc/10/24/70/1133102470.db2.gz HTQJDYMAYSRVJT-UHFFFAOYSA-N 1 2 343.233 3.985 20 0 EHADLO C[N@@H+](Cc1cccs1)Cc1ccccc1I ZINC000768159903 1133102473 /nfs/dbraw/zinc/10/24/73/1133102473.db2.gz HTQJDYMAYSRVJT-UHFFFAOYSA-N 1 2 343.233 3.985 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)cs1 ZINC001177931484 1133117037 /nfs/dbraw/zinc/11/70/37/1133117037.db2.gz BXTJGLLUISDAOD-JTQLQIEISA-N 1 2 347.415 3.533 20 0 EHADLO Oc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1Cl ZINC000768250772 1133117603 /nfs/dbraw/zinc/11/76/03/1133117603.db2.gz FAHGVHZMCPZGCR-UHFFFAOYSA-N 1 2 334.822 3.503 20 0 EHADLO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178115505 1133132626 /nfs/dbraw/zinc/13/26/26/1133132626.db2.gz BCNGJRLHZVTWJG-NVXWUHKLSA-N 1 2 333.435 3.818 20 0 EHADLO COCCOc1cccc(CNc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001178139127 1133135826 /nfs/dbraw/zinc/13/58/26/1133135826.db2.gz NTEBEUUCWKLBEQ-UHFFFAOYSA-N 1 2 337.423 3.818 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768779624 1133181730 /nfs/dbraw/zinc/18/17/30/1133181730.db2.gz GNAHTNVSKGDYSZ-UHFFFAOYSA-N 1 2 346.431 3.665 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768779624 1133181731 /nfs/dbraw/zinc/18/17/31/1133181731.db2.gz GNAHTNVSKGDYSZ-UHFFFAOYSA-N 1 2 346.431 3.665 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000768888082 1133197252 /nfs/dbraw/zinc/19/72/52/1133197252.db2.gz JYWUYUQVONCUFY-UHFFFAOYSA-N 1 2 347.890 3.931 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000768888082 1133197255 /nfs/dbraw/zinc/19/72/55/1133197255.db2.gz JYWUYUQVONCUFY-UHFFFAOYSA-N 1 2 347.890 3.931 20 0 EHADLO CC1(C)CN(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C(=O)O1 ZINC000768908914 1133201141 /nfs/dbraw/zinc/20/11/41/1133201141.db2.gz ZOADTGZEIOVAGZ-UHFFFAOYSA-N 1 2 336.382 3.632 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)s1 ZINC000768914305 1133201699 /nfs/dbraw/zinc/20/16/99/1133201699.db2.gz GFMHNBHKDYNECJ-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)s1 ZINC000768914305 1133201702 /nfs/dbraw/zinc/20/17/02/1133201702.db2.gz GFMHNBHKDYNECJ-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO Cc1ccc2[nH+]c(NCc3cncc(Br)c3C)[nH]c2c1 ZINC001179442585 1133251555 /nfs/dbraw/zinc/25/15/55/1133251555.db2.gz FHMDCFCESRYRRZ-UHFFFAOYSA-N 1 2 331.217 3.949 20 0 EHADLO CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1cc(O)ccc1Cl ZINC001179457593 1133253441 /nfs/dbraw/zinc/25/34/41/1133253441.db2.gz HSHYXYJBYMEDAT-UHFFFAOYSA-N 1 2 326.774 3.680 20 0 EHADLO COc1cccc2[nH]c(NCc3c[nH]nc3-c3ccc(F)cc3)[nH+]c21 ZINC001179497518 1133256619 /nfs/dbraw/zinc/25/66/19/1133256619.db2.gz JKMAENBCOTVNHR-UHFFFAOYSA-N 1 2 337.358 3.713 20 0 EHADLO Cc1cc(F)ncc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001179501847 1133257139 /nfs/dbraw/zinc/25/71/39/1133257139.db2.gz FZZQMPCXDUREFW-UHFFFAOYSA-N 1 2 333.313 3.752 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000769329150 1133264092 /nfs/dbraw/zinc/26/40/92/1133264092.db2.gz KAMNKUVXMGWCLD-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000769329150 1133264096 /nfs/dbraw/zinc/26/40/96/1133264096.db2.gz KAMNKUVXMGWCLD-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO Brc1ccoc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000769480968 1133287508 /nfs/dbraw/zinc/28/75/08/1133287508.db2.gz QAULBQIGKPCQSL-UHFFFAOYSA-N 1 2 332.201 3.518 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000769456617 1133294952 /nfs/dbraw/zinc/29/49/52/1133294952.db2.gz OJVZEZBEDDMUGK-ZDUSSCGKSA-N 1 2 342.277 3.706 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000769456617 1133294954 /nfs/dbraw/zinc/29/49/54/1133294954.db2.gz OJVZEZBEDDMUGK-ZDUSSCGKSA-N 1 2 342.277 3.706 20 0 EHADLO COc1nsc(C[N@H+](CCC(F)(F)F)CC2CC2)c1Cl ZINC001179973415 1133308486 /nfs/dbraw/zinc/30/84/86/1133308486.db2.gz AAJYZZOFJDZXKO-UHFFFAOYSA-N 1 2 328.787 3.970 20 0 EHADLO COc1nsc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1Cl ZINC001179973415 1133308492 /nfs/dbraw/zinc/30/84/92/1133308492.db2.gz AAJYZZOFJDZXKO-UHFFFAOYSA-N 1 2 328.787 3.970 20 0 EHADLO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000769557034 1133314497 /nfs/dbraw/zinc/31/44/97/1133314497.db2.gz POBROTFBVCCARH-NEPJUHHUSA-N 1 2 342.277 3.700 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC001180029570 1133318726 /nfs/dbraw/zinc/31/87/26/1133318726.db2.gz BZQZDKQZZHUUQF-ZDUSSCGKSA-N 1 2 340.254 3.770 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC001180029570 1133318730 /nfs/dbraw/zinc/31/87/30/1133318730.db2.gz BZQZDKQZZHUUQF-ZDUSSCGKSA-N 1 2 340.254 3.770 20 0 EHADLO COc1ccc(NCc2cccc3[nH+]ccn32)c(Br)c1 ZINC000769691778 1133329879 /nfs/dbraw/zinc/32/98/79/1133329879.db2.gz UZGFUTMWFBNTCE-UHFFFAOYSA-N 1 2 332.201 3.718 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC001180103618 1133332514 /nfs/dbraw/zinc/33/25/14/1133332514.db2.gz VALRPRFBUHAPTC-UHFFFAOYSA-N 1 2 327.859 3.546 20 0 EHADLO Cc1coc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC001180178695 1133335723 /nfs/dbraw/zinc/33/57/23/1133335723.db2.gz ZURLJVDLFZUXAP-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1coc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC001180178695 1133335727 /nfs/dbraw/zinc/33/57/27/1133335727.db2.gz ZURLJVDLFZUXAP-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000769751319 1133337080 /nfs/dbraw/zinc/33/70/80/1133337080.db2.gz AXNREYCRICDVOX-LBPRGKRZSA-N 1 2 342.830 3.575 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000769769117 1133339713 /nfs/dbraw/zinc/33/97/13/1133339713.db2.gz GJGYBBMVXIQPFI-UCFODXPJSA-N 1 2 337.467 3.765 20 0 EHADLO CC(C)n1ccn(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1=S ZINC000769781693 1133345353 /nfs/dbraw/zinc/34/53/53/1133345353.db2.gz MWFMSIAXFWXACY-SFHVURJKSA-N 1 2 329.469 3.689 20 0 EHADLO CC(C)n1ccn(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1=S ZINC000769781693 1133345361 /nfs/dbraw/zinc/34/53/61/1133345361.db2.gz MWFMSIAXFWXACY-SFHVURJKSA-N 1 2 329.469 3.689 20 0 EHADLO Clc1cnc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000769906896 1133357815 /nfs/dbraw/zinc/35/78/15/1133357815.db2.gz FARFQEFIOAQPIM-CQSZACIVSA-N 1 2 338.860 3.644 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)[nH]2)cc1 ZINC000769988047 1133374074 /nfs/dbraw/zinc/37/40/74/1133374074.db2.gz PDTNINUPLRSUJZ-YESZJQIVSA-N 1 2 340.471 3.832 20 0 EHADLO CCCCCC[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770275369 1133403697 /nfs/dbraw/zinc/40/36/97/1133403697.db2.gz LKWKYSIZZAHPLX-HNNXBMFYSA-N 1 2 348.491 3.707 20 0 EHADLO CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc2[nH+]ccn21 ZINC000770395585 1133422132 /nfs/dbraw/zinc/42/21/32/1133422132.db2.gz AXRNFHFZGQDTOR-UHFFFAOYSA-N 1 2 349.312 3.505 20 0 EHADLO O=C(CCNc1cc[nH+]c(CCc2ccccc2)n1)c1ccccc1 ZINC001170014492 1133424758 /nfs/dbraw/zinc/42/47/58/1133424758.db2.gz ACXPJBWSVULJMR-UHFFFAOYSA-N 1 2 331.419 3.947 20 0 EHADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)CCN12 ZINC000770388488 1133428906 /nfs/dbraw/zinc/42/89/06/1133428906.db2.gz BJGKUZMHUADKND-CQSZACIVSA-N 1 2 346.427 3.581 20 0 EHADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)CCN12 ZINC000770388488 1133428908 /nfs/dbraw/zinc/42/89/08/1133428908.db2.gz BJGKUZMHUADKND-CQSZACIVSA-N 1 2 346.427 3.581 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)nc1N(C)C ZINC000770670979 1133457609 /nfs/dbraw/zinc/45/76/09/1133457609.db2.gz OQXKXRSDVALNDX-AWEZNQCLSA-N 1 2 337.537 3.531 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CC[C@H](C)C3(CCC3)C2)nc1N(C)C ZINC000770670979 1133457612 /nfs/dbraw/zinc/45/76/12/1133457612.db2.gz OQXKXRSDVALNDX-AWEZNQCLSA-N 1 2 337.537 3.531 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2ncn(-c3ccccc3)c2=S)CC12CCC2 ZINC000770671029 1133458112 /nfs/dbraw/zinc/45/81/12/1133458112.db2.gz WKGMKHGZSDYQRE-OAHLLOKOSA-N 1 2 328.485 3.873 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2ncn(-c3ccccc3)c2=S)CC12CCC2 ZINC000770671029 1133458117 /nfs/dbraw/zinc/45/81/17/1133458117.db2.gz WKGMKHGZSDYQRE-OAHLLOKOSA-N 1 2 328.485 3.873 20 0 EHADLO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647160 1133459334 /nfs/dbraw/zinc/45/93/34/1133459334.db2.gz WRWTZUSKDFISGV-GHMZBOCLSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@H](C[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647160 1133459335 /nfs/dbraw/zinc/45/93/35/1133459335.db2.gz WRWTZUSKDFISGV-GHMZBOCLSA-N 1 2 328.890 3.946 20 0 EHADLO C[C@@H]1CN(c2ccc(NC[C@@H]3C[C@H]3c3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC001181348667 1133483150 /nfs/dbraw/zinc/48/31/50/1133483150.db2.gz HWCQWASQAAMEGY-WQDJSCAQSA-N 1 2 337.467 3.911 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)OCc2cccc3[nH+]ccn32)ccc1Cl ZINC000770926693 1133485267 /nfs/dbraw/zinc/48/52/67/1133485267.db2.gz QTUOYJOPBWKVOK-ZDUSSCGKSA-N 1 2 344.798 3.807 20 0 EHADLO COCc1c2ccccc2oc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925930 1133485557 /nfs/dbraw/zinc/48/55/57/1133485557.db2.gz PNQVKRYUGFADHF-UHFFFAOYSA-N 1 2 336.347 3.584 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(Br)ccc1F ZINC000770926225 1133485699 /nfs/dbraw/zinc/48/56/99/1133485699.db2.gz RJKYKHIMXSLNFG-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000771144878 1133517604 /nfs/dbraw/zinc/51/76/04/1133517604.db2.gz FGTZPHUWSBUGHH-BBRMVZONSA-N 1 2 334.391 3.612 20 0 EHADLO CCOC(=O)c1cc(COC)cc(NCc2cc(C)[nH+]c(C)c2)c1 ZINC001181985986 1133557303 /nfs/dbraw/zinc/55/73/03/1133557303.db2.gz IYSIYWFHAYQZGC-UHFFFAOYSA-N 1 2 328.412 3.634 20 0 EHADLO O=C1c2cc(F)ccc2CN1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000771617806 1133577706 /nfs/dbraw/zinc/57/77/06/1133577706.db2.gz AXGSQMIAZDRCGG-UHFFFAOYSA-N 1 2 342.389 3.758 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1CCC(C(F)(F)F)CC1 ZINC000774141287 1133613742 /nfs/dbraw/zinc/61/37/42/1133613742.db2.gz BEVGHNFUIWROGQ-UHFFFAOYSA-N 1 2 326.318 3.746 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1(Cc2cccc(F)c2)CCC1 ZINC000774213997 1133635395 /nfs/dbraw/zinc/63/53/95/1133635395.db2.gz DBXIVNOILCTYCP-UHFFFAOYSA-N 1 2 338.382 3.930 20 0 EHADLO COC(=O)/C(C)=C/C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772330671 1133675540 /nfs/dbraw/zinc/67/55/40/1133675540.db2.gz VOBHWVGMTIYPTO-NYYWCZLTSA-N 1 2 348.493 3.657 20 0 EHADLO COC(=O)/C(C)=C/C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772330671 1133675542 /nfs/dbraw/zinc/67/55/42/1133675542.db2.gz VOBHWVGMTIYPTO-NYYWCZLTSA-N 1 2 348.493 3.657 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C\Sc3ccccc3)[nH+]c12 ZINC000746539606 1133685307 /nfs/dbraw/zinc/68/53/07/1133685307.db2.gz LOWRRWTVIBJFCA-RAXLEYEMSA-N 1 2 337.448 3.607 20 0 EHADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CC1CCC2(CCCCC2)CC1 ZINC001182646150 1133714996 /nfs/dbraw/zinc/71/49/96/1133714996.db2.gz XEBKKHWBTZHDDJ-IBGZPJMESA-N 1 2 331.504 3.934 20 0 EHADLO Cn1nccc1[C@@H]1COCC[N@H+]1CC1CCC2(CCCCC2)CC1 ZINC001182646150 1133715000 /nfs/dbraw/zinc/71/50/00/1133715000.db2.gz XEBKKHWBTZHDDJ-IBGZPJMESA-N 1 2 331.504 3.934 20 0 EHADLO Cc1csc(C2([NH2+]CN3C[C@H](CC(C)(C)C)OC3=O)CCC2)n1 ZINC000785507156 1133715343 /nfs/dbraw/zinc/71/53/43/1133715343.db2.gz ILTUUSOMODRGDU-ZDUSSCGKSA-N 1 2 337.489 3.635 20 0 EHADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cccc(Oc2ccccc2)c1 ZINC001182736097 1133725871 /nfs/dbraw/zinc/72/58/71/1133725871.db2.gz JAZDMMYFJLQKMF-MRXNPFEDSA-N 1 2 335.407 3.595 20 0 EHADLO Cc1c[nH]c(CCNC(=O)[C@H](C)c2cccc(Oc3ccccc3)c2)[nH+]1 ZINC001182737934 1133727026 /nfs/dbraw/zinc/72/70/26/1133727026.db2.gz HYAQKWCMLFRAHN-MRXNPFEDSA-N 1 2 349.434 3.973 20 0 EHADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1cccc(Oc2ccccc2)c1 ZINC001182741324 1133727372 /nfs/dbraw/zinc/72/73/72/1133727372.db2.gz USTGLDLGWFLLCH-INIZCTEOSA-N 1 2 349.434 3.675 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC000785731392 1133742182 /nfs/dbraw/zinc/74/21/82/1133742182.db2.gz MHFWHSABAKUVEX-KBPBESRZSA-N 1 2 330.453 3.726 20 0 EHADLO C[C@@H](C(=O)NCCOc1cc[nH+]cc1)c1ccc(F)c2ccccc21 ZINC001183506518 1133819457 /nfs/dbraw/zinc/81/94/57/1133819457.db2.gz ZSFARNXSFPHOKP-CQSZACIVSA-N 1 2 338.382 3.673 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+](C)Cc1csnc1OC ZINC001183990868 1133887005 /nfs/dbraw/zinc/88/70/05/1133887005.db2.gz ACTZNQUVZWTEBS-NTEUORMPSA-N 1 2 332.469 3.833 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+](C)Cc1csnc1OC ZINC001183990868 1133887012 /nfs/dbraw/zinc/88/70/12/1133887012.db2.gz ACTZNQUVZWTEBS-NTEUORMPSA-N 1 2 332.469 3.833 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(Br)nn2C)cc1 ZINC000787082551 1133948222 /nfs/dbraw/zinc/94/82/22/1133948222.db2.gz WNWZDNNLPKBGCT-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Br)nn2C)cc1 ZINC000787082551 1133948228 /nfs/dbraw/zinc/94/82/28/1133948228.db2.gz WNWZDNNLPKBGCT-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO O=C(Cc1cccc(-c2ccccc2)c1)Nc1cc[nH+]c2c1CCC2 ZINC001184515417 1133955523 /nfs/dbraw/zinc/95/55/23/1133955523.db2.gz ZARYOIXJIQHWGJ-UHFFFAOYSA-N 1 2 328.415 3.840 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)nc3C)n2)cc1 ZINC000787286858 1133983796 /nfs/dbraw/zinc/98/37/96/1133983796.db2.gz ONLMEUMTXBMKMA-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO CCc1cc(N2CCC(OCc3ccccc3)CC2)nc(CC)[nH+]1 ZINC001184812577 1133993229 /nfs/dbraw/zinc/99/32/29/1133993229.db2.gz RSEVKBCZJVYMOJ-UHFFFAOYSA-N 1 2 325.456 3.787 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(SC(F)F)cc1)C1CC1 ZINC000787368527 1133997103 /nfs/dbraw/zinc/99/71/03/1133997103.db2.gz LTHDRIRICDQVCH-NSHDSACASA-N 1 2 329.412 3.917 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(SC(F)F)cc1)C1CC1 ZINC000787368527 1133997106 /nfs/dbraw/zinc/99/71/06/1133997106.db2.gz LTHDRIRICDQVCH-NSHDSACASA-N 1 2 329.412 3.917 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC001170073632 1134004627 /nfs/dbraw/zinc/00/46/27/1134004627.db2.gz WGUNLEMMXBJDKM-QGZVFWFLSA-N 1 2 344.499 3.677 20 0 EHADLO COC(=O)c1ccc(C)c(Nc2ccc[nH+]c2N2CCCC2)c1C ZINC001184964520 1134007942 /nfs/dbraw/zinc/00/79/42/1134007942.db2.gz LWKFSTCZBCARRV-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO COC(=O)c1cc(F)c(Nc2ccc[nH+]c2N2CCCC2)c(C)c1F ZINC001184963824 1134008031 /nfs/dbraw/zinc/00/80/31/1134008031.db2.gz BCMMGWHHAUWNLV-UHFFFAOYSA-N 1 2 347.365 3.799 20 0 EHADLO O=C1CCCN1Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964223 1134008491 /nfs/dbraw/zinc/00/84/91/1134008491.db2.gz JKCPGDWLZTUYAF-UHFFFAOYSA-N 1 2 336.439 3.548 20 0 EHADLO O=C1c2c(cccc2Nc2ccc[nH+]c2N2CCCC2)CN1C1CC1 ZINC001185044632 1134024950 /nfs/dbraw/zinc/02/49/50/1134024950.db2.gz XPUCDCJCISDZAM-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)CCSc1ccccc1F ZINC000787665208 1134026816 /nfs/dbraw/zinc/02/68/16/1134026816.db2.gz WXRYOWAXSNFDDB-UHFFFAOYSA-N 1 2 327.856 3.745 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCSc1ccccc1F ZINC000787665208 1134026821 /nfs/dbraw/zinc/02/68/21/1134026821.db2.gz WXRYOWAXSNFDDB-UHFFFAOYSA-N 1 2 327.856 3.745 20 0 EHADLO CSc1ccc(OCC[N@H+](C)Cc2c(C)nn(C)c2Cl)cc1 ZINC000788005635 1134063980 /nfs/dbraw/zinc/06/39/80/1134063980.db2.gz HNTRHYCNCGPKFY-UHFFFAOYSA-N 1 2 339.892 3.615 20 0 EHADLO CSc1ccc(OCC[N@@H+](C)Cc2c(C)nn(C)c2Cl)cc1 ZINC000788005635 1134063988 /nfs/dbraw/zinc/06/39/88/1134063988.db2.gz HNTRHYCNCGPKFY-UHFFFAOYSA-N 1 2 339.892 3.615 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000774858934 1134073700 /nfs/dbraw/zinc/07/37/00/1134073700.db2.gz XTHREAOILCUBFX-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO O=S(=O)(Nc1ccccc1C[NH+]1CCCCC1)c1ccsc1 ZINC001185383175 1134076195 /nfs/dbraw/zinc/07/61/95/1134076195.db2.gz WXZZOUFOCJMBMO-UHFFFAOYSA-N 1 2 336.482 3.535 20 0 EHADLO CCc1nnc(Nc2ccc([NH+]3CCC(C)CC3)cc2)nc1CC ZINC001185461142 1134092027 /nfs/dbraw/zinc/09/20/27/1134092027.db2.gz VRRKOFSWOOVIDA-UHFFFAOYSA-N 1 2 325.460 3.976 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1SC(C)(C)C ZINC000788507052 1134134419 /nfs/dbraw/zinc/13/44/19/1134134419.db2.gz NMRNHLURTZTGHH-CYBMUJFWSA-N 1 2 330.501 3.966 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)N[C@@H](C)C3CCCCC3)c[nH+]c12 ZINC001186408357 1134209402 /nfs/dbraw/zinc/20/94/02/1134209402.db2.gz SSSVRDAVFXDZDT-GJZGRUSLSA-N 1 2 328.460 3.972 20 0 EHADLO CCOCc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001187099926 1134299043 /nfs/dbraw/zinc/29/90/43/1134299043.db2.gz ZLAPSNYRAFMLOP-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO C[C@H]1CC/C(=C\C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000790156249 1134376283 /nfs/dbraw/zinc/37/62/83/1134376283.db2.gz AYXMDAINBUBOIL-XERWBJCMSA-N 1 2 327.472 3.672 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001188131481 1134431113 /nfs/dbraw/zinc/43/11/13/1134431113.db2.gz ZCQGAQVZRDKTJH-UHFFFAOYSA-N 1 2 337.206 3.560 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2CC(C)C)c1C ZINC000790540930 1134437570 /nfs/dbraw/zinc/43/75/70/1134437570.db2.gz MDUIUAWVWVMVKY-UHFFFAOYSA-N 1 2 326.440 3.836 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(Br)o1)CCC2 ZINC000790990390 1134489388 /nfs/dbraw/zinc/48/93/88/1134489388.db2.gz NGJPLRRDWSURFV-ZDUSSCGKSA-N 1 2 338.249 3.987 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)c1nnnn1C1CC1 ZINC000791009231 1134492965 /nfs/dbraw/zinc/49/29/65/1134492965.db2.gz NXRWBYWJVLGULU-LLVKDONJSA-N 1 2 343.431 3.726 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(CCC(F)(F)F)Cc1ccccc1 ZINC000791336042 1134532980 /nfs/dbraw/zinc/53/29/80/1134532980.db2.gz MLSWHUNMGBBCJP-UHFFFAOYSA-N 1 2 347.340 3.929 20 0 EHADLO COc1cc(C)sc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791380601 1134537411 /nfs/dbraw/zinc/53/74/11/1134537411.db2.gz LFEKJGPMWRLGPC-UHFFFAOYSA-N 1 2 342.420 3.916 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001189080659 1134542576 /nfs/dbraw/zinc/54/25/76/1134542576.db2.gz WWTCAZJYJHEOCM-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cc(N2CCC(C(=O)N(C)C(C)C)CC2)[nH+]c2ccccc12 ZINC000076718750 1134575098 /nfs/dbraw/zinc/57/50/98/1134575098.db2.gz SDKZYSITWWPIIE-UHFFFAOYSA-N 1 2 325.456 3.626 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001190096428 1134655373 /nfs/dbraw/zinc/65/53/73/1134655373.db2.gz AHMCJSWNLHMAIK-IBGZPJMESA-N 1 2 345.446 3.967 20 0 EHADLO N=C(NC(=O)c1ccccc1-n1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC001190099841 1134655750 /nfs/dbraw/zinc/65/57/50/1134655750.db2.gz OJOZFOLTNUQTCF-UHFFFAOYSA-N 1 2 348.450 3.796 20 0 EHADLO CC(C)(CNC(=O)c1ccccc1-n1cc[nH+]c1)CC(F)(F)F ZINC001190112068 1134661081 /nfs/dbraw/zinc/66/10/81/1134661081.db2.gz CILYMPONVAQPSM-UHFFFAOYSA-N 1 2 325.334 3.581 20 0 EHADLO CCC[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](CC)C(=O)OCC ZINC000792377494 1134685821 /nfs/dbraw/zinc/68/58/21/1134685821.db2.gz UYDKGWNYFQCWGQ-LBPRGKRZSA-N 1 2 333.259 3.942 20 0 EHADLO CCC[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](CC)C(=O)OCC ZINC000792377494 1134685826 /nfs/dbraw/zinc/68/58/26/1134685826.db2.gz UYDKGWNYFQCWGQ-LBPRGKRZSA-N 1 2 333.259 3.942 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cccc(OC)c2Cl)cc(OC)c1 ZINC001190520638 1134711444 /nfs/dbraw/zinc/71/14/44/1134711444.db2.gz VQLZEYZEYJEBJG-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cccc(OC)c2Cl)cc(OC)c1 ZINC001190520638 1134711449 /nfs/dbraw/zinc/71/14/49/1134711449.db2.gz VQLZEYZEYJEBJG-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC001190710831 1134736135 /nfs/dbraw/zinc/73/61/35/1134736135.db2.gz KJSZKQBHUOYEAZ-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccn2cc[nH+]c2c1 ZINC001190718022 1134738271 /nfs/dbraw/zinc/73/82/71/1134738271.db2.gz KITZAHWXYDNHIM-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO CC1CCC([N@H+](Cc2nncs2)Cc2ccc3c(c2)OCO3)CC1 ZINC001190801901 1134752896 /nfs/dbraw/zinc/75/28/96/1134752896.db2.gz NQVIXDHQQJKZDH-UHFFFAOYSA-N 1 2 345.468 3.848 20 0 EHADLO CC1CCC([N@@H+](Cc2nncs2)Cc2ccc3c(c2)OCO3)CC1 ZINC001190801901 1134752900 /nfs/dbraw/zinc/75/29/00/1134752900.db2.gz NQVIXDHQQJKZDH-UHFFFAOYSA-N 1 2 345.468 3.848 20 0 EHADLO Cc1cc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)ccc1-c1ccccc1 ZINC000792823534 1134795925 /nfs/dbraw/zinc/79/59/25/1134795925.db2.gz GIUSVMCTHHQGSK-FQEVSTJZSA-N 1 2 348.450 3.637 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc(N3CCOC[C@H]3C)cc2)cn1 ZINC000792870558 1134804271 /nfs/dbraw/zinc/80/42/71/1134804271.db2.gz HZTCAXFUVDIHEN-QGZVFWFLSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccc(Cl)cc1-n1cncn1 ZINC000792839986 1134804877 /nfs/dbraw/zinc/80/48/77/1134804877.db2.gz CGGJDWBHBHADSC-UHFFFAOYSA-N 1 2 341.846 3.907 20 0 EHADLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205019 1134816555 /nfs/dbraw/zinc/81/65/55/1134816555.db2.gz XRDYZEXDJMGTNY-WCQYABFASA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205019 1134816560 /nfs/dbraw/zinc/81/65/60/1134816560.db2.gz XRDYZEXDJMGTNY-WCQYABFASA-N 1 2 333.295 3.541 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000793253136 1134890342 /nfs/dbraw/zinc/89/03/42/1134890342.db2.gz YEKHWUIXSXXIJC-KBPBESRZSA-N 1 2 339.222 3.616 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc(C)cc1 ZINC000793335200 1134907184 /nfs/dbraw/zinc/90/71/84/1134907184.db2.gz BTCOBGBBVHTNRT-UHFFFAOYSA-N 1 2 329.350 3.594 20 0 EHADLO C[C@H](OCC1CC1)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793376450 1134915335 /nfs/dbraw/zinc/91/53/35/1134915335.db2.gz BEUNFFOFNFWMRF-AWEZNQCLSA-N 1 2 340.423 3.607 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cncc(-c2cccs2)c1 ZINC001191830154 1134932809 /nfs/dbraw/zinc/93/28/09/1134932809.db2.gz KZUIBCVIQJFSNI-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000793485788 1134938856 /nfs/dbraw/zinc/93/88/56/1134938856.db2.gz DBUPZXSYPUVFOR-NHCUHLMSSA-N 1 2 334.463 3.872 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000793485788 1134938863 /nfs/dbraw/zinc/93/88/63/1134938863.db2.gz DBUPZXSYPUVFOR-NHCUHLMSSA-N 1 2 334.463 3.872 20 0 EHADLO CCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001192000296 1134950479 /nfs/dbraw/zinc/95/04/79/1134950479.db2.gz XWLZBYAXQAFILH-UHFFFAOYSA-N 1 2 348.878 3.964 20 0 EHADLO Cc1cc([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n(C)n1 ZINC000793551095 1134954323 /nfs/dbraw/zinc/95/43/23/1134954323.db2.gz WXEPKKMKUBFRBW-HNNXBMFYSA-N 1 2 333.439 3.817 20 0 EHADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014808 1134956140 /nfs/dbraw/zinc/95/61/40/1134956140.db2.gz VUZQTYFMYRGOFX-IFXJQAMLSA-N 1 2 347.842 3.714 20 0 EHADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014808 1134956148 /nfs/dbraw/zinc/95/61/48/1134956148.db2.gz VUZQTYFMYRGOFX-IFXJQAMLSA-N 1 2 347.842 3.714 20 0 EHADLO CCc1onc(C)c1C[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252633 1134985124 /nfs/dbraw/zinc/98/51/24/1134985124.db2.gz JIZXZANJMSSRAY-JKSUJKDBSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1onc(C)c1C[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252633 1134985133 /nfs/dbraw/zinc/98/51/33/1134985133.db2.gz JIZXZANJMSSRAY-JKSUJKDBSA-N 1 2 327.472 3.640 20 0 EHADLO O=C1SCCN1C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000793779666 1134993273 /nfs/dbraw/zinc/99/32/73/1134993273.db2.gz IZUSVXJWQNGWFC-CYBMUJFWSA-N 1 2 328.890 3.633 20 0 EHADLO O=C1SCCN1C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000793779666 1134993279 /nfs/dbraw/zinc/99/32/79/1134993279.db2.gz IZUSVXJWQNGWFC-CYBMUJFWSA-N 1 2 328.890 3.633 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC001192349822 1135003219 /nfs/dbraw/zinc/00/32/19/1135003219.db2.gz VYBXMOYQLVLUIN-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC001192349822 1135003220 /nfs/dbraw/zinc/00/32/20/1135003220.db2.gz VYBXMOYQLVLUIN-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COc1cccc2[nH+]c(NC3CCN(CC(F)(F)F)CC3)ccc21 ZINC001170439927 1135005833 /nfs/dbraw/zinc/00/58/33/1135005833.db2.gz FFNHNKGYVKDDNH-UHFFFAOYSA-N 1 2 339.361 3.682 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC001192382048 1135009221 /nfs/dbraw/zinc/00/92/21/1135009221.db2.gz GTASJASPCWAAHN-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO Brc1cccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)n1 ZINC000794354520 1135043260 /nfs/dbraw/zinc/04/32/60/1135043260.db2.gz MNUVUIUWZYKEEP-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)n1 ZINC000794354520 1135043267 /nfs/dbraw/zinc/04/32/67/1135043267.db2.gz MNUVUIUWZYKEEP-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO CCCOc1cccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1 ZINC001192645550 1135043581 /nfs/dbraw/zinc/04/35/81/1135043581.db2.gz ORDZSFVXHKYXPJ-UHFFFAOYSA-N 1 2 344.421 3.934 20 0 EHADLO CCCOc1cccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1 ZINC001192645550 1135043583 /nfs/dbraw/zinc/04/35/83/1135043583.db2.gz ORDZSFVXHKYXPJ-UHFFFAOYSA-N 1 2 344.421 3.934 20 0 EHADLO CCCC[N@H+](C)c1ccc(Nc2nc(C)cc(C(=O)OC)n2)cc1 ZINC000804442683 1135078511 /nfs/dbraw/zinc/07/85/11/1135078511.db2.gz JHKNVKQBPOYOSA-UHFFFAOYSA-N 1 2 328.416 3.552 20 0 EHADLO CCCC[N@@H+](C)c1ccc(Nc2nc(C)cc(C(=O)OC)n2)cc1 ZINC000804442683 1135078513 /nfs/dbraw/zinc/07/85/13/1135078513.db2.gz JHKNVKQBPOYOSA-UHFFFAOYSA-N 1 2 328.416 3.552 20 0 EHADLO CSc1cnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000804509103 1135093994 /nfs/dbraw/zinc/09/39/94/1135093994.db2.gz ZXJJZLHLFMETBX-CYBMUJFWSA-N 1 2 348.903 3.735 20 0 EHADLO Cc1ccc(Oc2ccccc2C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001193076258 1135096002 /nfs/dbraw/zinc/09/60/02/1135096002.db2.gz AAWVIDHMRFUYNH-UHFFFAOYSA-N 1 2 347.418 3.682 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116286 1135103841 /nfs/dbraw/zinc/10/38/41/1135103841.db2.gz ANKUVXVUZYXKSF-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116286 1135103842 /nfs/dbraw/zinc/10/38/42/1135103842.db2.gz ANKUVXVUZYXKSF-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO CC1(C2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)OCCO1 ZINC000804538915 1135116134 /nfs/dbraw/zinc/11/61/34/1135116134.db2.gz DKMVMAGAUBEMPU-UHFFFAOYSA-N 1 2 332.831 3.868 20 0 EHADLO Brc1ccc2c(c1)CC[N@@H+](CC1(Br)CC1)C2 ZINC001193346200 1135127770 /nfs/dbraw/zinc/12/77/70/1135127770.db2.gz ONGFYDMHWBHCKO-UHFFFAOYSA-N 1 2 345.078 3.735 20 0 EHADLO Brc1ccc2c(c1)CC[N@H+](CC1(Br)CC1)C2 ZINC001193346200 1135127773 /nfs/dbraw/zinc/12/77/73/1135127773.db2.gz ONGFYDMHWBHCKO-UHFFFAOYSA-N 1 2 345.078 3.735 20 0 EHADLO [NH2+]=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1F ZINC001170462335 1135175971 /nfs/dbraw/zinc/17/59/71/1135175971.db2.gz HQGNBCPCKACVRH-UHFFFAOYSA-N 1 2 337.148 3.754 20 0 EHADLO CCCCCOC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001193761934 1135184047 /nfs/dbraw/zinc/18/40/47/1135184047.db2.gz HESQYFZCIYKKPW-UHFFFAOYSA-N 1 2 327.428 3.684 20 0 EHADLO C[N@H+](CCCOc1ccc2ccccc2c1)CC(=O)OC(C)(C)C ZINC001193880454 1135192360 /nfs/dbraw/zinc/19/23/60/1135192360.db2.gz CYRBTVUXGKVLRB-UHFFFAOYSA-N 1 2 329.440 3.882 20 0 EHADLO C[N@@H+](CCCOc1ccc2ccccc2c1)CC(=O)OC(C)(C)C ZINC001193880454 1135192364 /nfs/dbraw/zinc/19/23/64/1135192364.db2.gz CYRBTVUXGKVLRB-UHFFFAOYSA-N 1 2 329.440 3.882 20 0 EHADLO Cc1nn(CC(C)C)c(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001193864871 1135198554 /nfs/dbraw/zinc/19/85/54/1135198554.db2.gz SVTLYCOPQHJYPY-UHFFFAOYSA-N 1 2 337.427 3.594 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001194123005 1135229215 /nfs/dbraw/zinc/22/92/15/1135229215.db2.gz DNHHNSOBLZRCQY-ZDUSSCGKSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001194123005 1135229219 /nfs/dbraw/zinc/22/92/19/1135229219.db2.gz DNHHNSOBLZRCQY-ZDUSSCGKSA-N 1 2 342.842 3.922 20 0 EHADLO CC[C@@H]1C[C@@H]([NH+]2CC(C)(F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484743 1135290912 /nfs/dbraw/zinc/29/09/12/1135290912.db2.gz QTNFMRAMVLDNOM-QDMKHBRRSA-N 1 2 328.472 3.987 20 0 EHADLO O=C(Oc1ccc2ccccc2c1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001194646793 1135296025 /nfs/dbraw/zinc/29/60/25/1135296025.db2.gz CECCBJZYRDNBSI-UHFFFAOYSA-N 1 2 346.377 3.754 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001194723368 1135312062 /nfs/dbraw/zinc/31/20/62/1135312062.db2.gz CCELKTPUTRSGQR-UHFFFAOYSA-N 1 2 333.407 3.733 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C(F)F)cn2)c1 ZINC001194886798 1135333246 /nfs/dbraw/zinc/33/32/46/1135333246.db2.gz PAHRQEQTNYEWNZ-UHFFFAOYSA-N 1 2 328.322 3.672 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000805825728 1135336330 /nfs/dbraw/zinc/33/63/30/1135336330.db2.gz DIMVKQLPQJBBKT-GFCCVEGCSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000805825728 1135336334 /nfs/dbraw/zinc/33/63/34/1135336334.db2.gz DIMVKQLPQJBBKT-GFCCVEGCSA-N 1 2 331.243 3.704 20 0 EHADLO CN(C(=O)c1cccc(-c2c[nH+]cn2C)c1)[C@H]1CCc2ccccc21 ZINC001194909356 1135339225 /nfs/dbraw/zinc/33/92/25/1135339225.db2.gz LQJFHOUHHGUQHD-IBGZPJMESA-N 1 2 331.419 3.847 20 0 EHADLO CN(C(=O)c1cccc(-c2c[nH+]cn2C)c1)[C@@H]1CCc2ccccc21 ZINC001194909358 1135339358 /nfs/dbraw/zinc/33/93/58/1135339358.db2.gz LQJFHOUHHGUQHD-LJQANCHMSA-N 1 2 331.419 3.847 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2ccccc2C2CC2)c1 ZINC001194908138 1135339543 /nfs/dbraw/zinc/33/95/43/1135339543.db2.gz UWRKDJLSTHJCPG-UHFFFAOYSA-N 1 2 331.419 3.895 20 0 EHADLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194890246 1135342997 /nfs/dbraw/zinc/34/29/97/1135342997.db2.gz FLSZKDVWSVQYMU-CQSZACIVSA-N 1 2 340.826 3.722 20 0 EHADLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194890246 1135343001 /nfs/dbraw/zinc/34/30/01/1135343001.db2.gz FLSZKDVWSVQYMU-CQSZACIVSA-N 1 2 340.826 3.722 20 0 EHADLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000775642948 1135382108 /nfs/dbraw/zinc/38/21/08/1135382108.db2.gz QEOHBMIONOHHKW-HNNXBMFYSA-N 1 2 348.830 3.596 20 0 EHADLO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)o1 ZINC001203300507 1135393730 /nfs/dbraw/zinc/39/37/30/1135393730.db2.gz LVSJGXQZNYCFTE-KRWDZBQOSA-N 1 2 338.373 3.837 20 0 EHADLO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)o1 ZINC001203300507 1135393736 /nfs/dbraw/zinc/39/37/36/1135393736.db2.gz LVSJGXQZNYCFTE-KRWDZBQOSA-N 1 2 338.373 3.837 20 0 EHADLO Cn1ncc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000806167023 1135406606 /nfs/dbraw/zinc/40/66/06/1135406606.db2.gz GWLRKHZGQBPMSI-SFHVURJKSA-N 1 2 344.821 3.681 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)o1 ZINC000348222715 1135417765 /nfs/dbraw/zinc/41/77/65/1135417765.db2.gz FWOCJWBKLXLRPS-HIFRSBDPSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)o1 ZINC000348222715 1135417768 /nfs/dbraw/zinc/41/77/68/1135417768.db2.gz FWOCJWBKLXLRPS-HIFRSBDPSA-N 1 2 333.407 3.513 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C1CCCCCC1 ZINC001195612306 1135448081 /nfs/dbraw/zinc/44/80/81/1135448081.db2.gz CZUNRXACDMGNEV-ROUUACIJSA-N 1 2 337.504 3.970 20 0 EHADLO Cc1ccc(-c2ccc(C)cc2C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001195708554 1135458526 /nfs/dbraw/zinc/45/85/26/1135458526.db2.gz ZHEPAPWOPLXKHO-UHFFFAOYSA-N 1 2 333.435 3.676 20 0 EHADLO O=C(Nc1cnc2c(F)cccc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001130704919 1135474727 /nfs/dbraw/zinc/47/47/27/1135474727.db2.gz JFECTKFIGPPKPF-UHFFFAOYSA-N 1 2 346.365 3.871 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2)c1 ZINC001195904927 1135488271 /nfs/dbraw/zinc/48/82/71/1135488271.db2.gz WYLFLPUOOUIWKZ-UHFFFAOYSA-N 1 2 344.418 3.541 20 0 EHADLO Cc1cc(F)ccc1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001196114981 1135523115 /nfs/dbraw/zinc/52/31/15/1135523115.db2.gz AXZOUYXJMMELKA-INIZCTEOSA-N 1 2 345.443 3.769 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196181731 1135528777 /nfs/dbraw/zinc/52/87/77/1135528777.db2.gz NSTJVTXUYKDCTH-UHFFFAOYSA-N 1 2 342.390 3.621 20 0 EHADLO Cc1cccc(NC(=S)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC001196443446 1135558843 /nfs/dbraw/zinc/55/88/43/1135558843.db2.gz YOWSCXJLRHEYSX-MRXNPFEDSA-N 1 2 340.496 3.654 20 0 EHADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196424007 1135561793 /nfs/dbraw/zinc/56/17/93/1135561793.db2.gz KGADXMKKWDKREZ-NWDGAFQWSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196424007 1135561795 /nfs/dbraw/zinc/56/17/95/1135561795.db2.gz KGADXMKKWDKREZ-NWDGAFQWSA-N 1 2 349.887 3.628 20 0 EHADLO CCC(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867179866 1135575165 /nfs/dbraw/zinc/57/51/65/1135575165.db2.gz CGSYRFOOMLVTJD-MRXNPFEDSA-N 1 2 329.444 3.639 20 0 EHADLO CCC(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867179866 1135575169 /nfs/dbraw/zinc/57/51/69/1135575169.db2.gz CGSYRFOOMLVTJD-MRXNPFEDSA-N 1 2 329.444 3.639 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730705 1135591295 /nfs/dbraw/zinc/59/12/95/1135591295.db2.gz GKBAIRYZNMEQBZ-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730705 1135591300 /nfs/dbraw/zinc/59/13/00/1135591300.db2.gz GKBAIRYZNMEQBZ-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO CC[C@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833883 1135615964 /nfs/dbraw/zinc/61/59/64/1135615964.db2.gz VACZRGLQHKJPDL-BZNIZROVSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833883 1135615969 /nfs/dbraw/zinc/61/59/69/1135615969.db2.gz VACZRGLQHKJPDL-BZNIZROVSA-N 1 2 345.270 3.557 20 0 EHADLO S=C(NCCn1cc[nH+]c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001196860864 1135624143 /nfs/dbraw/zinc/62/41/43/1135624143.db2.gz XSPYQHALRVCQRJ-UHFFFAOYSA-N 1 2 349.674 3.830 20 0 EHADLO Cc1ccc(SCC[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1C ZINC001197507400 1135702108 /nfs/dbraw/zinc/70/21/08/1135702108.db2.gz ULSFBIXPYAYPMK-UHFFFAOYSA-N 1 2 331.456 3.738 20 0 EHADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000808746355 1135726953 /nfs/dbraw/zinc/72/69/53/1135726953.db2.gz OBZRGMKQJYSPST-INIZCTEOSA-N 1 2 329.362 3.694 20 0 EHADLO CC(C)C(=O)CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000808746355 1135726956 /nfs/dbraw/zinc/72/69/56/1135726956.db2.gz OBZRGMKQJYSPST-INIZCTEOSA-N 1 2 329.362 3.694 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccncc1F ZINC000794429569 1135730842 /nfs/dbraw/zinc/73/08/42/1135730842.db2.gz YYBXIZAKCSKBQC-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+](CC(F)F)C2CCC2)C1 ZINC001197837240 1135740144 /nfs/dbraw/zinc/74/01/44/1135740144.db2.gz NVUWMYSLDIVXKH-ZDUSSCGKSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+](CC(F)F)C2CCC2)C1 ZINC001197837240 1135740146 /nfs/dbraw/zinc/74/01/46/1135740146.db2.gz NVUWMYSLDIVXKH-ZDUSSCGKSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318110 1135800280 /nfs/dbraw/zinc/80/02/80/1135800280.db2.gz LVNPLSNTRNVYPL-ZWNOBZJWSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318110 1135800287 /nfs/dbraw/zinc/80/02/87/1135800287.db2.gz LVNPLSNTRNVYPL-ZWNOBZJWSA-N 1 2 328.225 3.514 20 0 EHADLO Cc1cc(C)nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000809303001 1135818259 /nfs/dbraw/zinc/81/82/59/1135818259.db2.gz ONCCDJQMKXUOJW-UHFFFAOYSA-N 1 2 331.379 3.660 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001170582115 1135847444 /nfs/dbraw/zinc/84/74/44/1135847444.db2.gz UCHKRONYHDAYQA-DGCLKSJQSA-N 1 2 328.239 3.693 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001170582115 1135847449 /nfs/dbraw/zinc/84/74/49/1135847449.db2.gz UCHKRONYHDAYQA-DGCLKSJQSA-N 1 2 328.239 3.693 20 0 EHADLO C[N@H+](C/C=C\c1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000809538727 1135849458 /nfs/dbraw/zinc/84/94/58/1135849458.db2.gz SJTABRVWICRPEL-PLNGDYQASA-N 1 2 341.361 3.759 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000809538727 1135849463 /nfs/dbraw/zinc/84/94/63/1135849463.db2.gz SJTABRVWICRPEL-PLNGDYQASA-N 1 2 341.361 3.759 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578736 1135853451 /nfs/dbraw/zinc/85/34/51/1135853451.db2.gz PMBYWBNBMMVJDR-LLVKDONJSA-N 1 2 330.284 3.969 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578736 1135853454 /nfs/dbraw/zinc/85/34/54/1135853454.db2.gz PMBYWBNBMMVJDR-LLVKDONJSA-N 1 2 330.284 3.969 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809594438 1135859229 /nfs/dbraw/zinc/85/92/29/1135859229.db2.gz VZHLPXIXCXFSKX-CYBMUJFWSA-N 1 2 342.270 3.888 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809594438 1135859232 /nfs/dbraw/zinc/85/92/32/1135859232.db2.gz VZHLPXIXCXFSKX-CYBMUJFWSA-N 1 2 342.270 3.888 20 0 EHADLO C(=C\[C@H]1CCC[N@H+]1Cc1ncc(C2OCCO2)s1)\c1ccccc1 ZINC000809636748 1135864388 /nfs/dbraw/zinc/86/43/88/1135864388.db2.gz CWCCMMGMVSHRSV-HLRDLLSLSA-N 1 2 342.464 3.866 20 0 EHADLO C(=C\[C@H]1CCC[N@@H+]1Cc1ncc(C2OCCO2)s1)\c1ccccc1 ZINC000809636748 1135864391 /nfs/dbraw/zinc/86/43/91/1135864391.db2.gz CWCCMMGMVSHRSV-HLRDLLSLSA-N 1 2 342.464 3.866 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000809730605 1135873411 /nfs/dbraw/zinc/87/34/11/1135873411.db2.gz VBZNAWPKKVRGJX-UHFFFAOYSA-N 1 2 325.243 3.502 20 0 EHADLO C[C@@H](CC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1)n1cc[nH+]c1 ZINC001132093305 1135924746 /nfs/dbraw/zinc/92/47/46/1135924746.db2.gz MYMWAUBLEVEAQU-GHTZIAJQSA-N 1 2 337.467 3.920 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000810303289 1135950125 /nfs/dbraw/zinc/95/01/25/1135950125.db2.gz JHODDFMPLHDRNI-UHFFFAOYSA-N 1 2 328.441 3.952 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3ccccc3Cl)c[nH+]c12 ZINC001200863665 1135961054 /nfs/dbraw/zinc/96/10/54/1135961054.db2.gz ZTEBFZLFONKWAA-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CCCCCCNC(=S)NCc1c[nH+]cn1Cc1ccccc1F ZINC001200959531 1135968494 /nfs/dbraw/zinc/96/84/94/1135968494.db2.gz CHJBNQKRNKHKET-UHFFFAOYSA-N 1 2 348.491 3.615 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]c3ccc(F)cn23)cc1 ZINC001201195215 1135994686 /nfs/dbraw/zinc/99/46/86/1135994686.db2.gz VNLMJFNJSHQCIA-UHFFFAOYSA-N 1 2 346.456 3.682 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001201206893 1135996477 /nfs/dbraw/zinc/99/64/77/1135996477.db2.gz ZIGNDLNIAIIARQ-SFHVURJKSA-N 1 2 341.480 3.939 20 0 EHADLO C[C@@H]1CC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000810693240 1135997571 /nfs/dbraw/zinc/99/75/71/1135997571.db2.gz WBWMCGGNGJBJKM-GJYPPUQNSA-N 1 2 326.440 3.842 20 0 EHADLO COc1cc(NC(=O)c2ccccc2)c(C)cc1Nc1ccc(N)[nH+]c1 ZINC001201292170 1136001703 /nfs/dbraw/zinc/00/17/03/1136001703.db2.gz KUWPPUYDKSGDJM-UHFFFAOYSA-N 1 2 348.406 3.977 20 0 EHADLO Br/C(=C\c1ccccc1)CN1CC([NH+]2CCCCC2)C1 ZINC001201461209 1136022643 /nfs/dbraw/zinc/02/26/43/1136022643.db2.gz XQVYSPMPLSAYQH-WJDWOHSUSA-N 1 2 335.289 3.593 20 0 EHADLO O=C(Oc1ccc2c(c1)CCCO2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000810993456 1136035212 /nfs/dbraw/zinc/03/52/12/1136035212.db2.gz KHPNOZAJIOGXDY-LJQANCHMSA-N 1 2 337.419 3.582 20 0 EHADLO O=C(Oc1ccc2c(c1)CCCO2)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000810993456 1136035216 /nfs/dbraw/zinc/03/52/16/1136035216.db2.gz KHPNOZAJIOGXDY-LJQANCHMSA-N 1 2 337.419 3.582 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C)c(-n3cccc3)c2)c1C ZINC000747671100 1136039288 /nfs/dbraw/zinc/03/92/88/1136039288.db2.gz INYITQCRHCUUJR-UHFFFAOYSA-N 1 2 349.434 3.736 20 0 EHADLO O=c1[nH]c2ccccc2cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001201757188 1136060162 /nfs/dbraw/zinc/06/01/62/1136060162.db2.gz KLNPDGGLVLVAIZ-UHFFFAOYSA-N 1 2 335.407 3.516 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccccc1F ZINC001201987686 1136083230 /nfs/dbraw/zinc/08/32/30/1136083230.db2.gz RLOQILKDEVQUPQ-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccccc1F ZINC001201987686 1136083233 /nfs/dbraw/zinc/08/32/33/1136083233.db2.gz RLOQILKDEVQUPQ-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000776241434 1136095439 /nfs/dbraw/zinc/09/54/39/1136095439.db2.gz DFNQEJCNCHFPCV-UHFFFAOYSA-N 1 2 336.391 3.709 20 0 EHADLO Cc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001202233118 1136118226 /nfs/dbraw/zinc/11/82/26/1136118226.db2.gz GETRCOXTYSVENK-GJZGRUSLSA-N 1 2 329.419 3.755 20 0 EHADLO CC(C)c1cn(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(=S)n1C ZINC000811791051 1136140691 /nfs/dbraw/zinc/14/06/91/1136140691.db2.gz FLSQECMHWFNRKU-JKSUJKDBSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)c1cn(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(=S)n1C ZINC000811791051 1136140692 /nfs/dbraw/zinc/14/06/92/1136140692.db2.gz FLSQECMHWFNRKU-JKSUJKDBSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)c1cn(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(=S)n1C ZINC000811791050 1136140897 /nfs/dbraw/zinc/14/08/97/1136140897.db2.gz FLSQECMHWFNRKU-HZPDHXFCSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)c1cn(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(=S)n1C ZINC000811791050 1136140899 /nfs/dbraw/zinc/14/08/99/1136140899.db2.gz FLSQECMHWFNRKU-HZPDHXFCSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc(F)c1 ZINC000338919587 1136168865 /nfs/dbraw/zinc/16/88/65/1136168865.db2.gz WKIAUDZWOWNUCT-UHFFFAOYSA-N 1 2 335.444 3.510 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc(F)c1 ZINC000338919587 1136168866 /nfs/dbraw/zinc/16/88/66/1136168866.db2.gz WKIAUDZWOWNUCT-UHFFFAOYSA-N 1 2 335.444 3.510 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)OCc1c[nH+]cn1C ZINC000747779000 1136186202 /nfs/dbraw/zinc/18/62/02/1136186202.db2.gz AEKSQYANLPMOHF-UHFFFAOYSA-N 1 2 336.391 3.665 20 0 EHADLO O=C1C[C@@H](c2cccc(Cl)c2)CN1C[N@@H+]1CCc2ccccc2C1 ZINC000812278868 1136191270 /nfs/dbraw/zinc/19/12/70/1136191270.db2.gz QCSMKHGVEWLWRT-GOSISDBHSA-N 1 2 340.854 3.672 20 0 EHADLO O=C1C[C@@H](c2cccc(Cl)c2)CN1C[N@H+]1CCc2ccccc2C1 ZINC000812278868 1136191271 /nfs/dbraw/zinc/19/12/71/1136191271.db2.gz QCSMKHGVEWLWRT-GOSISDBHSA-N 1 2 340.854 3.672 20 0 EHADLO Cc1coc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1C ZINC001133233092 1136192478 /nfs/dbraw/zinc/19/24/78/1136192478.db2.gz JTACNKNMDROXKQ-UHFFFAOYSA-N 1 2 349.434 3.728 20 0 EHADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000747782739 1136195878 /nfs/dbraw/zinc/19/58/78/1136195878.db2.gz PIKYEFHWUGZHGB-NSHDSACASA-N 1 2 326.318 3.676 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)OCc3c[nH+]cn3C)s2)c(C)c1 ZINC000747782685 1136196059 /nfs/dbraw/zinc/19/60/59/1136196059.db2.gz QOINUGCNDLCCJY-UHFFFAOYSA-N 1 2 327.409 3.517 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccc(Cl)o2)C1 ZINC000812761656 1136238909 /nfs/dbraw/zinc/23/89/09/1136238909.db2.gz DMPKMCXUAICUGG-KRWDZBQOSA-N 1 2 340.851 3.908 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccc(Cl)o2)C1 ZINC000812761656 1136238913 /nfs/dbraw/zinc/23/89/13/1136238913.db2.gz DMPKMCXUAICUGG-KRWDZBQOSA-N 1 2 340.851 3.908 20 0 EHADLO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000007466268 1136281959 /nfs/dbraw/zinc/28/19/59/1136281959.db2.gz IIEZYHYCTCQKOZ-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1N ZINC000850773587 1136303774 /nfs/dbraw/zinc/30/37/74/1136303774.db2.gz KRHCUONWOYXWGB-CQSZACIVSA-N 1 2 344.484 3.549 20 0 EHADLO CC(C)C(=O)Nc1cccc(N[C@H](C)c2cn3c([nH+]2)CCCC3)c1 ZINC000813329434 1136318813 /nfs/dbraw/zinc/31/88/13/1136318813.db2.gz RWSNRZVLGXCMNW-CQSZACIVSA-N 1 2 326.444 3.987 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc(C(F)F)cc2)cc1 ZINC000885583782 1136323984 /nfs/dbraw/zinc/32/39/84/1136323984.db2.gz COJLRTGNMDDWRJ-KRWDZBQOSA-N 1 2 346.377 3.846 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc(C(F)F)cc2)cc1 ZINC000885583782 1136323987 /nfs/dbraw/zinc/32/39/87/1136323987.db2.gz COJLRTGNMDDWRJ-KRWDZBQOSA-N 1 2 346.377 3.846 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851398784 1136375976 /nfs/dbraw/zinc/37/59/76/1136375976.db2.gz FESQPWFGSODXNZ-QGZVFWFLSA-N 1 2 338.451 3.953 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc[nH]c1C1CCC1 ZINC000851401455 1136377157 /nfs/dbraw/zinc/37/71/57/1136377157.db2.gz MGTYHLLMGAQSBC-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO CCc1oc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1C(=O)OC ZINC000338936945 1136379186 /nfs/dbraw/zinc/37/91/86/1136379186.db2.gz SPCTYMWEHATCFX-UHFFFAOYSA-N 1 2 348.468 3.953 20 0 EHADLO CC(C)(C)OC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000338940045 1136392579 /nfs/dbraw/zinc/39/25/79/1136392579.db2.gz SDLZHRCCZYESRD-UHFFFAOYSA-N 1 2 325.836 3.525 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000851788399 1136407630 /nfs/dbraw/zinc/40/76/30/1136407630.db2.gz CKGRYUNPJLCGQJ-AWEZNQCLSA-N 1 2 339.439 3.685 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)n1 ZINC000851951400 1136422166 /nfs/dbraw/zinc/42/21/66/1136422166.db2.gz MUJMSAANMMTFJJ-BPUTZDHNSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)n1 ZINC000851951400 1136422167 /nfs/dbraw/zinc/42/21/67/1136422167.db2.gz MUJMSAANMMTFJJ-BPUTZDHNSA-N 1 2 334.435 3.696 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226521 1136426305 /nfs/dbraw/zinc/42/63/05/1136426305.db2.gz XHYZMGFWQCVXTK-ZDUSSCGKSA-N 1 2 342.386 3.766 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226521 1136426308 /nfs/dbraw/zinc/42/63/08/1136426308.db2.gz XHYZMGFWQCVXTK-ZDUSSCGKSA-N 1 2 342.386 3.766 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)C[C@H](O)c1ccccc1Br ZINC000852149746 1136436678 /nfs/dbraw/zinc/43/66/78/1136436678.db2.gz LZEBWHWREIPUPD-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)C[C@H](O)c1ccccc1Br ZINC000852149746 1136436680 /nfs/dbraw/zinc/43/66/80/1136436680.db2.gz LZEBWHWREIPUPD-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000852442954 1136456549 /nfs/dbraw/zinc/45/65/49/1136456549.db2.gz ISMZPWVDQIGJCA-NHYWBVRUSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000852442954 1136456550 /nfs/dbraw/zinc/45/65/50/1136456550.db2.gz ISMZPWVDQIGJCA-NHYWBVRUSA-N 1 2 330.255 3.670 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](c2ccccc2)C(F)F)c(N(C)C)[nH+]1 ZINC000814677252 1136489845 /nfs/dbraw/zinc/48/98/45/1136489845.db2.gz CITMNHJCMWGVHM-CQSZACIVSA-N 1 2 334.370 3.584 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2C)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852962272 1136494529 /nfs/dbraw/zinc/49/45/29/1136494529.db2.gz DWESJTJQPXFQQE-KRWDZBQOSA-N 1 2 333.863 3.513 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2C)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852962272 1136494532 /nfs/dbraw/zinc/49/45/32/1136494532.db2.gz DWESJTJQPXFQQE-KRWDZBQOSA-N 1 2 333.863 3.513 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000111171329 1136519102 /nfs/dbraw/zinc/51/91/02/1136519102.db2.gz MCJDFQZVUAQQKJ-HNNXBMFYSA-N 1 2 345.874 3.641 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000111171329 1136519104 /nfs/dbraw/zinc/51/91/04/1136519104.db2.gz MCJDFQZVUAQQKJ-HNNXBMFYSA-N 1 2 345.874 3.641 20 0 EHADLO CN(C)c1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000814895934 1136521098 /nfs/dbraw/zinc/52/10/98/1136521098.db2.gz ZJVDDVSGBYCKCK-UHFFFAOYSA-N 1 2 346.434 3.609 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1c(=S)snc1-c1ccccc1)C2 ZINC000853543123 1136542660 /nfs/dbraw/zinc/54/26/60/1136542660.db2.gz NDHYPAKRLBUSHD-CALCHBBNSA-N 1 2 347.509 3.657 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@H+](Cn1c(=S)snc1-c1ccccc1)C2 ZINC000853543123 1136542663 /nfs/dbraw/zinc/54/26/63/1136542663.db2.gz NDHYPAKRLBUSHD-CALCHBBNSA-N 1 2 347.509 3.657 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2CC3(CCCC3)CC2=O)cc1F ZINC000853563438 1136544712 /nfs/dbraw/zinc/54/47/12/1136544712.db2.gz VISWDMFOHXNCOI-KRWDZBQOSA-N 1 2 346.446 3.721 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2CC3(CCCC3)CC2=O)cc1F ZINC000853563438 1136544713 /nfs/dbraw/zinc/54/47/13/1136544713.db2.gz VISWDMFOHXNCOI-KRWDZBQOSA-N 1 2 346.446 3.721 20 0 EHADLO S=c1ncccn1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000853611197 1136549678 /nfs/dbraw/zinc/54/96/78/1136549678.db2.gz YSBMJZRUUANWFQ-UHFFFAOYSA-N 1 2 325.437 3.510 20 0 EHADLO Cn1ncc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1Cl ZINC000815132698 1136559819 /nfs/dbraw/zinc/55/98/19/1136559819.db2.gz IYYZAKRCXWUVFO-UHFFFAOYSA-N 1 2 339.830 3.601 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000854042564 1136583169 /nfs/dbraw/zinc/58/31/69/1136583169.db2.gz PGVVTCDQEIKMMV-WOJBJXKFSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000854042564 1136583171 /nfs/dbraw/zinc/58/31/71/1136583171.db2.gz PGVVTCDQEIKMMV-WOJBJXKFSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000854056221 1136584194 /nfs/dbraw/zinc/58/41/94/1136584194.db2.gz BXEGAIRDUAUNQJ-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000854056221 1136584196 /nfs/dbraw/zinc/58/41/96/1136584196.db2.gz BXEGAIRDUAUNQJ-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nn(C)cc1Br ZINC001170784673 1136593368 /nfs/dbraw/zinc/59/33/68/1136593368.db2.gz VVAACCWPPJGEPO-NEPJUHHUSA-N 1 2 328.298 3.829 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1nn(C)cc1Br ZINC001170784673 1136593374 /nfs/dbraw/zinc/59/33/74/1136593374.db2.gz VVAACCWPPJGEPO-NEPJUHHUSA-N 1 2 328.298 3.829 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000854271889 1136603874 /nfs/dbraw/zinc/60/38/74/1136603874.db2.gz UJAPVLYYEMVIJQ-ZIAGYGMSSA-N 1 2 345.493 3.641 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[NH+]1CCC(c2ccsc2)CC1 ZINC000776781883 1136665300 /nfs/dbraw/zinc/66/53/00/1136665300.db2.gz PJAGGNPEASSKJY-UHFFFAOYSA-N 1 2 346.496 3.594 20 0 EHADLO CCO[C@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824317 1136714127 /nfs/dbraw/zinc/71/41/27/1136714127.db2.gz NHRKSDHOVHIFNF-PMACEKPBSA-N 1 2 344.499 3.797 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824317 1136714131 /nfs/dbraw/zinc/71/41/31/1136714131.db2.gz NHRKSDHOVHIFNF-PMACEKPBSA-N 1 2 344.499 3.797 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)cs1)c1cccc2[nH+]ccn21 ZINC000776843193 1136740030 /nfs/dbraw/zinc/74/00/30/1136740030.db2.gz OXDIUAYQXZOFRO-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO OCC[C@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1F ZINC000830356182 1136752102 /nfs/dbraw/zinc/75/21/02/1136752102.db2.gz VNNKHHHWSUDXQJ-ZDUSSCGKSA-N 1 2 329.202 3.741 20 0 EHADLO c1cc(C2CC[NH+](Cc3cn(Cc4ccccc4)nn3)CC2)cs1 ZINC000776886106 1136785349 /nfs/dbraw/zinc/78/53/49/1136785349.db2.gz CJAKIPXVNXGVSR-UHFFFAOYSA-N 1 2 338.480 3.768 20 0 EHADLO C[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1c(F)cccc1Cl ZINC000856734100 1136804654 /nfs/dbraw/zinc/80/46/54/1136804654.db2.gz NVXATPKSDHCXMJ-LBPRGKRZSA-N 1 2 347.883 3.877 20 0 EHADLO COc1ccc([C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)C)cc1 ZINC001135978037 1136832650 /nfs/dbraw/zinc/83/26/50/1136832650.db2.gz GLBXXYYLXLPLCP-OALUTQOASA-N 1 2 343.471 3.992 20 0 EHADLO Cn1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c(Cl)n1 ZINC000857046670 1136837316 /nfs/dbraw/zinc/83/73/16/1136837316.db2.gz OCMUEFALFRLVOD-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO Cn1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c(Cl)n1 ZINC000857046670 1136837319 /nfs/dbraw/zinc/83/73/19/1136837319.db2.gz OCMUEFALFRLVOD-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817785955 1136840190 /nfs/dbraw/zinc/84/01/90/1136840190.db2.gz PYXSXEZGTUSPMA-UHFFFAOYSA-N 1 2 333.819 3.625 20 0 EHADLO OCCCCCC[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000857075536 1136841506 /nfs/dbraw/zinc/84/15/06/1136841506.db2.gz CNWRVFRQGKLHCH-CYBMUJFWSA-N 1 2 336.220 3.898 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000857211472 1136854391 /nfs/dbraw/zinc/85/43/91/1136854391.db2.gz VAVOECSGHUOIAI-LJQANCHMSA-N 1 2 347.524 3.961 20 0 EHADLO O=S(=O)(CC[N@H+]1CC2(CCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000857211472 1136854395 /nfs/dbraw/zinc/85/43/95/1136854395.db2.gz VAVOECSGHUOIAI-LJQANCHMSA-N 1 2 347.524 3.961 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818180530 1136863382 /nfs/dbraw/zinc/86/33/82/1136863382.db2.gz AFWDVBPSJZIHIO-GASCZTMLSA-N 1 2 346.450 3.829 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]cn2C(C)C)cc1)[C@H]1C[C@@H]1C ZINC000818216863 1136866584 /nfs/dbraw/zinc/86/65/84/1136866584.db2.gz IXOUGENVBDRXML-LIRRHRJNSA-N 1 2 326.444 3.837 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cnn(C)c1Cl ZINC000818230309 1136868046 /nfs/dbraw/zinc/86/80/46/1136868046.db2.gz CVLIFMOMNMBYJJ-UHFFFAOYSA-N 1 2 328.243 3.760 20 0 EHADLO CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000857440707 1136871007 /nfs/dbraw/zinc/87/10/07/1136871007.db2.gz GCOWTHWOUITREG-LJQANCHMSA-N 1 2 344.499 3.590 20 0 EHADLO CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000857440707 1136871009 /nfs/dbraw/zinc/87/10/09/1136871009.db2.gz GCOWTHWOUITREG-LJQANCHMSA-N 1 2 344.499 3.590 20 0 EHADLO CC[N@H+](CC(=O)N1CCC[C@](C)(F)C1)Cc1ccccc1Cl ZINC000857517591 1136879360 /nfs/dbraw/zinc/87/93/60/1136879360.db2.gz UDTSYBLZCXYIDU-KRWDZBQOSA-N 1 2 326.843 3.513 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC[C@](C)(F)C1)Cc1ccccc1Cl ZINC000857517591 1136879363 /nfs/dbraw/zinc/87/93/63/1136879363.db2.gz UDTSYBLZCXYIDU-KRWDZBQOSA-N 1 2 326.843 3.513 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1OCC(F)(F)F ZINC000776941224 1136883233 /nfs/dbraw/zinc/88/32/33/1136883233.db2.gz UKUNSJRAPYLDSZ-UHFFFAOYSA-N 1 2 349.312 3.836 20 0 EHADLO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1[nH]cc[nH+]1 ZINC001136151498 1136884487 /nfs/dbraw/zinc/88/44/87/1136884487.db2.gz HVYATELTMUFOIY-UHFFFAOYSA-N 1 2 329.787 3.524 20 0 EHADLO ClC1(Cl)C[C@@H]1CCNc1ccccc1C[NH+]1CCOCC1 ZINC000819066854 1136910017 /nfs/dbraw/zinc/91/00/17/1136910017.db2.gz HAAFUWFJJMHVST-AWEZNQCLSA-N 1 2 329.271 3.515 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)(F)F)c(O)c1 ZINC001136185498 1136911279 /nfs/dbraw/zinc/91/12/79/1136911279.db2.gz BDXBPFNWJXPVQZ-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cccc(C)c2C)c1C ZINC000115670479 1136911862 /nfs/dbraw/zinc/91/18/62/1136911862.db2.gz BHGNETPJXQYOTQ-MRXNPFEDSA-N 1 2 341.455 3.884 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(Cc1ccccc1)Cc1ccccc1 ZINC000857979503 1136927069 /nfs/dbraw/zinc/92/70/69/1136927069.db2.gz PLHCUIVKLNSPKO-HXUWFJFHSA-N 1 2 345.446 3.546 20 0 EHADLO CC[C@@H](CC(=O)N1CCNc2[nH+]cc(C)cc21)c1ccc(OC)cc1 ZINC000857999456 1136928080 /nfs/dbraw/zinc/92/80/80/1136928080.db2.gz DQIYVJGPIYLLSM-HNNXBMFYSA-N 1 2 339.439 3.741 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCc1ccc(Cl)cc1)CCN2 ZINC000857998032 1136928162 /nfs/dbraw/zinc/92/81/62/1136928162.db2.gz ZTDXPTDGSIRPJP-UHFFFAOYSA-N 1 2 329.831 3.825 20 0 EHADLO Cc1nc(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)c(C)[nH+]1 ZINC000858009569 1136928931 /nfs/dbraw/zinc/92/89/31/1136928931.db2.gz XHDFCQDQAWCYDQ-GOSISDBHSA-N 1 2 338.455 3.722 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013837 1136930793 /nfs/dbraw/zinc/93/07/93/1136930793.db2.gz GKSHCVCXLKBLJO-BBRMVZONSA-N 1 2 342.443 3.509 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013837 1136930796 /nfs/dbraw/zinc/93/07/96/1136930796.db2.gz GKSHCVCXLKBLJO-BBRMVZONSA-N 1 2 342.443 3.509 20 0 EHADLO Cc1cc(NC[C@H](O)c2ccccc2Br)ccc1[NH+](C)C ZINC000819407745 1136936677 /nfs/dbraw/zinc/93/66/77/1136936677.db2.gz AHWKPJOIGVHIPR-KRWDZBQOSA-N 1 2 349.272 3.969 20 0 EHADLO C/C=C\C[C@H]1CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000858166730 1136945523 /nfs/dbraw/zinc/94/55/23/1136945523.db2.gz YXXWQJMLZJLCDE-KJPDOMRESA-N 1 2 331.460 3.595 20 0 EHADLO O=C(C(F)=C1CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000819520472 1136950124 /nfs/dbraw/zinc/95/01/24/1136950124.db2.gz JATVTVPUFHWDTK-UHFFFAOYSA-N 1 2 347.821 3.973 20 0 EHADLO Brc1cccc2sc(NCCCn3cc[nH+]c3)nc21 ZINC001649263401 1136950693 /nfs/dbraw/zinc/95/06/93/1136950693.db2.gz BPBKYONSZIIWCE-UHFFFAOYSA-N 1 2 337.246 3.758 20 0 EHADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(Cl)cs2)cc1 ZINC000858327588 1136958945 /nfs/dbraw/zinc/95/89/45/1136958945.db2.gz UTQLTJIZAKLLIL-AWEZNQCLSA-N 1 2 337.876 3.590 20 0 EHADLO CC(C)C[C@H](C(=O)NC[C@@H](C)c1nc2ccccc2o1)n1cc[nH+]c1 ZINC000820521826 1136995813 /nfs/dbraw/zinc/99/58/13/1136995813.db2.gz WPECYCCTKHWREJ-GDBMZVCRSA-N 1 2 340.427 3.531 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccc(Br)cc1F ZINC000859300656 1137011053 /nfs/dbraw/zinc/01/10/53/1137011053.db2.gz CPBPKSCUFBNFCY-QMMMGPOBSA-N 1 2 346.631 3.826 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859379640 1137013031 /nfs/dbraw/zinc/01/30/31/1137013031.db2.gz OCKLUHXYUSCTCF-HXUWFJFHSA-N 1 2 341.455 3.634 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859379640 1137013033 /nfs/dbraw/zinc/01/30/33/1137013033.db2.gz OCKLUHXYUSCTCF-HXUWFJFHSA-N 1 2 341.455 3.634 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3cnc(Cl)s3)CC2)c1 ZINC000859399014 1137013478 /nfs/dbraw/zinc/01/34/78/1137013478.db2.gz RMAOAPUWKWMCFF-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000859529876 1137018385 /nfs/dbraw/zinc/01/83/85/1137018385.db2.gz BQFJMZBUTLQVPQ-ZDUSSCGKSA-N 1 2 339.480 3.880 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000859529876 1137018387 /nfs/dbraw/zinc/01/83/87/1137018387.db2.gz BQFJMZBUTLQVPQ-ZDUSSCGKSA-N 1 2 339.480 3.880 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(N=S(C)(C)=O)cc3)n2c1 ZINC000821214300 1137020805 /nfs/dbraw/zinc/02/08/05/1137020805.db2.gz PVTSWLAFMBODJC-UHFFFAOYSA-N 1 2 328.441 3.614 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000860042445 1137041569 /nfs/dbraw/zinc/04/15/69/1137041569.db2.gz GNBFJCSSQBPHDH-IFXJQAMLSA-N 1 2 336.439 3.650 20 0 EHADLO CC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCC1 ZINC001136519185 1137043447 /nfs/dbraw/zinc/04/34/47/1137043447.db2.gz JAZMPEURNCGWSJ-QGZVFWFLSA-N 1 2 327.428 3.667 20 0 EHADLO COc1cccc([C@@H](O)C2CC[NH+](C/C(Cl)=C\Cl)CC2)c1 ZINC000860139537 1137046108 /nfs/dbraw/zinc/04/61/08/1137046108.db2.gz VSEOVSLLFLXOKD-DKGMDFAASA-N 1 2 330.255 3.760 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000860189572 1137048478 /nfs/dbraw/zinc/04/84/78/1137048478.db2.gz VMLLRDIJUMHQCG-UWVGGRQHSA-N 1 2 331.243 3.550 20 0 EHADLO FC(F)CC1C[NH+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000822520856 1137062339 /nfs/dbraw/zinc/06/23/39/1137062339.db2.gz QEMXKEVKKKHWEG-UHFFFAOYSA-N 1 2 325.790 3.672 20 0 EHADLO CSCc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1 ZINC000822755362 1137073310 /nfs/dbraw/zinc/07/33/10/1137073310.db2.gz GIBHYNNWHDTXSB-QGZVFWFLSA-N 1 2 337.448 3.987 20 0 EHADLO CC(C)Oc1cccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822771307 1137074812 /nfs/dbraw/zinc/07/48/12/1137074812.db2.gz UNHBYCWTGIZCGX-GOSISDBHSA-N 1 2 335.407 3.759 20 0 EHADLO CC(C)(C)Nc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)nc1 ZINC000822886698 1137077324 /nfs/dbraw/zinc/07/73/24/1137077324.db2.gz JACXVKSROJBECN-QGZVFWFLSA-N 1 2 349.438 3.577 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC1CCC(F)(F)CC1 ZINC000860973330 1137086503 /nfs/dbraw/zinc/08/65/03/1137086503.db2.gz VWFMSAQUAGEMBT-UHFFFAOYSA-N 1 2 344.308 3.744 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000823128262 1137088297 /nfs/dbraw/zinc/08/82/97/1137088297.db2.gz GECKCBYAHJRMJT-DGCLKSJQSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000823128262 1137088298 /nfs/dbraw/zinc/08/82/98/1137088298.db2.gz GECKCBYAHJRMJT-DGCLKSJQSA-N 1 2 343.302 3.896 20 0 EHADLO O=C(NC(C1CCCC1)C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000118082168 1137097467 /nfs/dbraw/zinc/09/74/67/1137097467.db2.gz ZKKCEVDAWHHKKJ-UHFFFAOYSA-N 1 2 344.503 3.979 20 0 EHADLO CCn1nc(C)c(C[NH+]2CCC(c3nc(C(C)(C)C)cs3)CC2)n1 ZINC000823428498 1137099098 /nfs/dbraw/zinc/09/90/98/1137099098.db2.gz HVHNWXBVFOUIIL-UHFFFAOYSA-N 1 2 347.532 3.740 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000861610335 1137114242 /nfs/dbraw/zinc/11/42/42/1137114242.db2.gz KAEIFUNQOWYGGO-WFASDCNBSA-N 1 2 347.850 3.609 20 0 EHADLO CCc1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)nc1 ZINC000339033410 1137128822 /nfs/dbraw/zinc/12/88/22/1137128822.db2.gz VUEVEFFSLKZFOG-UHFFFAOYSA-N 1 2 329.419 3.632 20 0 EHADLO CCc1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)nc1 ZINC000339033410 1137128823 /nfs/dbraw/zinc/12/88/23/1137128823.db2.gz VUEVEFFSLKZFOG-UHFFFAOYSA-N 1 2 329.419 3.632 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)cc1Br ZINC001136849305 1137131076 /nfs/dbraw/zinc/13/10/76/1137131076.db2.gz GHAZJTKHRSXVHH-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1Br ZINC001136849305 1137131077 /nfs/dbraw/zinc/13/10/77/1137131077.db2.gz GHAZJTKHRSXVHH-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Br)c(F)cc2F)[C@](C)(CO)C1 ZINC001136849836 1137131367 /nfs/dbraw/zinc/13/13/67/1137131367.db2.gz ZVOVFGJVVFZFEZ-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Br)c(F)cc2F)[C@](C)(CO)C1 ZINC001136849836 1137131368 /nfs/dbraw/zinc/13/13/68/1137131368.db2.gz ZVOVFGJVVFZFEZ-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO CC[N@H+](Cc1cn(C)nc1Br)[C@H](C)c1ccc(F)cc1 ZINC000862228959 1137133602 /nfs/dbraw/zinc/13/36/02/1137133602.db2.gz LQZRLKPMFWCFJS-LLVKDONJSA-N 1 2 340.240 3.905 20 0 EHADLO CC[N@@H+](Cc1cn(C)nc1Br)[C@H](C)c1ccc(F)cc1 ZINC000862228959 1137133603 /nfs/dbraw/zinc/13/36/03/1137133603.db2.gz LQZRLKPMFWCFJS-LLVKDONJSA-N 1 2 340.240 3.905 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000824362417 1137135008 /nfs/dbraw/zinc/13/50/08/1137135008.db2.gz OQYBGRVRXYOIID-LBPRGKRZSA-N 1 2 348.447 3.693 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824527552 1137141653 /nfs/dbraw/zinc/14/16/53/1137141653.db2.gz WEFPPTXZBBFHGH-YOEHRIQHSA-N 1 2 330.451 3.739 20 0 EHADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136947504 1137154001 /nfs/dbraw/zinc/15/40/01/1137154001.db2.gz JLIXFLPVWVGVCZ-INIZCTEOSA-N 1 2 345.446 3.564 20 0 EHADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136947504 1137154002 /nfs/dbraw/zinc/15/40/02/1137154002.db2.gz JLIXFLPVWVGVCZ-INIZCTEOSA-N 1 2 345.446 3.564 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171067609 1137154333 /nfs/dbraw/zinc/15/43/33/1137154333.db2.gz XLZGYNZQCPHGPN-WFASDCNBSA-N 1 2 330.255 3.782 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171067606 1137154351 /nfs/dbraw/zinc/15/43/51/1137154351.db2.gz XLZGYNZQCPHGPN-DOMZBBRYSA-N 1 2 330.255 3.782 20 0 EHADLO FC(F)(F)c1cccc(OC2C[NH+](Cc3ccc4c(c3)COC4)C2)c1 ZINC001137027351 1137175239 /nfs/dbraw/zinc/17/52/39/1137175239.db2.gz VARIFWVRLYEYEY-UHFFFAOYSA-N 1 2 349.352 3.999 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863255713 1137178039 /nfs/dbraw/zinc/17/80/39/1137178039.db2.gz XELDVBGTNCLDIS-GVDBMIGSSA-N 1 2 337.467 3.775 20 0 EHADLO FC(F)(F)c1nn(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(=S)s1 ZINC000863295063 1137180225 /nfs/dbraw/zinc/18/02/25/1137180225.db2.gz SSBWPZBOVPGPPI-SFYZADRCSA-N 1 2 341.449 3.620 20 0 EHADLO FC(F)(F)c1nn(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(=S)s1 ZINC000863295063 1137180226 /nfs/dbraw/zinc/18/02/26/1137180226.db2.gz SSBWPZBOVPGPPI-SFYZADRCSA-N 1 2 341.449 3.620 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330381 1137181228 /nfs/dbraw/zinc/18/12/28/1137181228.db2.gz KZKAXPOJMVIQPC-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330381 1137181229 /nfs/dbraw/zinc/18/12/29/1137181229.db2.gz KZKAXPOJMVIQPC-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO Fc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(F)c1Cl ZINC001143626547 1137185955 /nfs/dbraw/zinc/18/59/55/1137185955.db2.gz ZLTRZQKZZBYERF-UHFFFAOYSA-N 1 2 326.774 3.529 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001143699323 1137190669 /nfs/dbraw/zinc/19/06/69/1137190669.db2.gz WTSQFXBBVGVFBB-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001143699323 1137190670 /nfs/dbraw/zinc/19/06/70/1137190670.db2.gz WTSQFXBBVGVFBB-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609918 1137194329 /nfs/dbraw/zinc/19/43/29/1137194329.db2.gz IELNCCFBYBNWMD-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609918 1137194331 /nfs/dbraw/zinc/19/43/31/1137194331.db2.gz IELNCCFBYBNWMD-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615844 1137194758 /nfs/dbraw/zinc/19/47/58/1137194758.db2.gz FBLILGCQULLTLO-IUODEOHRSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615844 1137194760 /nfs/dbraw/zinc/19/47/60/1137194760.db2.gz FBLILGCQULLTLO-IUODEOHRSA-N 1 2 349.887 3.638 20 0 EHADLO Cc1cccc2c1C[C@@H](c1nc(Cc3cn4cccc(C)c4[nH+]3)no1)N2 ZINC000863662887 1137197637 /nfs/dbraw/zinc/19/76/37/1137197637.db2.gz XNOXYTRHYGINHF-KRWDZBQOSA-N 1 2 345.406 3.634 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@@H]1F ZINC001143797146 1137200531 /nfs/dbraw/zinc/20/05/31/1137200531.db2.gz GBXOGSMNXMYVJK-QWHCGFSZSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@@H]1F ZINC001143797146 1137200533 /nfs/dbraw/zinc/20/05/33/1137200533.db2.gz GBXOGSMNXMYVJK-QWHCGFSZSA-N 1 2 326.626 3.942 20 0 EHADLO C/C(=C\Cl)CSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000797811155 1137201153 /nfs/dbraw/zinc/20/11/53/1137201153.db2.gz BORMLRFEBGUVFH-IZZDOVSWSA-N 1 2 345.921 3.553 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2cc(C)[nH+]c(OC(F)F)c2)c1 ZINC001171110787 1137202213 /nfs/dbraw/zinc/20/22/13/1137202213.db2.gz SRKYKOREFHWYTC-LLVKDONJSA-N 1 2 336.338 3.951 20 0 EHADLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866886 1137206535 /nfs/dbraw/zinc/20/65/35/1137206535.db2.gz OFYSBWGTNRAYBK-NSHDSACASA-N 1 2 333.234 3.575 20 0 EHADLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866886 1137206537 /nfs/dbraw/zinc/20/65/37/1137206537.db2.gz OFYSBWGTNRAYBK-NSHDSACASA-N 1 2 333.234 3.575 20 0 EHADLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@H]21 ZINC001143867720 1137206683 /nfs/dbraw/zinc/20/66/83/1137206683.db2.gz HVCYXVAZWSKOHT-IINYFYTJSA-N 1 2 345.245 3.575 20 0 EHADLO CN1C(=O)CC[C@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@H]21 ZINC001143867720 1137206685 /nfs/dbraw/zinc/20/66/85/1137206685.db2.gz HVCYXVAZWSKOHT-IINYFYTJSA-N 1 2 345.245 3.575 20 0 EHADLO CSCc1cc[nH+]c(NCc2nc(SC)ncc2Cl)c1 ZINC001160446422 1137208367 /nfs/dbraw/zinc/20/83/67/1137208367.db2.gz DYWYQZVZZBAPFI-UHFFFAOYSA-N 1 2 326.878 3.722 20 0 EHADLO O=C(/C=C/C1CCCCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844310371 1137208557 /nfs/dbraw/zinc/20/85/57/1137208557.db2.gz RNBLWTHSLCGYIT-MDZDMXLPSA-N 1 2 327.472 3.825 20 0 EHADLO Cc1nnsc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000844302282 1137210485 /nfs/dbraw/zinc/21/04/85/1137210485.db2.gz HDFLLGGRZWVECZ-MRXNPFEDSA-N 1 2 345.493 3.644 20 0 EHADLO Cc1nnsc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000844302282 1137210487 /nfs/dbraw/zinc/21/04/87/1137210487.db2.gz HDFLLGGRZWVECZ-MRXNPFEDSA-N 1 2 345.493 3.644 20 0 EHADLO COc1ccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c(F)c1F ZINC001143916940 1137214849 /nfs/dbraw/zinc/21/48/49/1137214849.db2.gz DODCQKUCOXYVDN-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1nc2cc(Cl)ccc2n1C ZINC000844418437 1137219463 /nfs/dbraw/zinc/21/94/63/1137219463.db2.gz USYFCOIEVIOOPD-NWDGAFQWSA-N 1 2 346.818 3.679 20 0 EHADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)N[C@H](c1ccccc1)C1CCCCC1 ZINC000844454920 1137221351 /nfs/dbraw/zinc/22/13/51/1137221351.db2.gz OVRNFUVWGILVQC-ZIFCJYIRSA-N 1 2 348.437 3.621 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)N[C@H](c1ccccc1)C1CCCCC1 ZINC000844454920 1137221353 /nfs/dbraw/zinc/22/13/53/1137221353.db2.gz OVRNFUVWGILVQC-ZIFCJYIRSA-N 1 2 348.437 3.621 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000794656113 1137224533 /nfs/dbraw/zinc/22/45/33/1137224533.db2.gz CTJVDKDZTVMHIL-UHFFFAOYSA-N 1 2 328.437 3.714 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000794656113 1137224535 /nfs/dbraw/zinc/22/45/35/1137224535.db2.gz CTJVDKDZTVMHIL-UHFFFAOYSA-N 1 2 328.437 3.714 20 0 EHADLO C[N@H+](Cn1nc(-c2ccccc2F)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794683695 1137226048 /nfs/dbraw/zinc/22/60/48/1137226048.db2.gz PPRWIVKMMBVPAQ-CQSZACIVSA-N 1 2 329.419 3.517 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccccc2F)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794683695 1137226050 /nfs/dbraw/zinc/22/60/50/1137226050.db2.gz PPRWIVKMMBVPAQ-CQSZACIVSA-N 1 2 329.419 3.517 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1ncn(CCc2cccs2)c1=S ZINC000794684812 1137226481 /nfs/dbraw/zinc/22/64/81/1137226481.db2.gz ZYWOCNOQPHDQMH-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1ncn(CCc2cccs2)c1=S ZINC000794684812 1137226482 /nfs/dbraw/zinc/22/64/82/1137226482.db2.gz ZYWOCNOQPHDQMH-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1)n1cc[nH+]c1 ZINC000844530103 1137231669 /nfs/dbraw/zinc/23/16/69/1137231669.db2.gz ADQPCQFSJMTQDH-QWRGUYRKSA-N 1 2 327.306 3.552 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccns1 ZINC001144050638 1137231957 /nfs/dbraw/zinc/23/19/57/1137231957.db2.gz YIANDYHUUXVPCL-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccns1 ZINC001144050638 1137231958 /nfs/dbraw/zinc/23/19/58/1137231958.db2.gz YIANDYHUUXVPCL-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C(C)(C)C ZINC000844684420 1137246638 /nfs/dbraw/zinc/24/66/38/1137246638.db2.gz JUWHEGCUWISPKJ-LLVKDONJSA-N 1 2 339.892 3.949 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C(C)(C)C ZINC000844684420 1137246639 /nfs/dbraw/zinc/24/66/39/1137246639.db2.gz JUWHEGCUWISPKJ-LLVKDONJSA-N 1 2 339.892 3.949 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844758062 1137250229 /nfs/dbraw/zinc/25/02/29/1137250229.db2.gz IXVCYPOCYGXQRU-CYBMUJFWSA-N 1 2 348.491 3.891 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844758062 1137250231 /nfs/dbraw/zinc/25/02/31/1137250231.db2.gz IXVCYPOCYGXQRU-CYBMUJFWSA-N 1 2 348.491 3.891 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)c1C ZINC001144199821 1137250555 /nfs/dbraw/zinc/25/05/55/1137250555.db2.gz USXUYWBIDAVYQV-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@H+](Cc3n[nH]c4ccc(F)cc43)C2)n1 ZINC001144202480 1137253536 /nfs/dbraw/zinc/25/35/36/1137253536.db2.gz REXAQUZDSXEGOG-LBPRGKRZSA-N 1 2 343.406 3.588 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3n[nH]c4ccc(F)cc43)C2)n1 ZINC001144202480 1137253538 /nfs/dbraw/zinc/25/35/38/1137253538.db2.gz REXAQUZDSXEGOG-LBPRGKRZSA-N 1 2 343.406 3.588 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000120339639 1137258165 /nfs/dbraw/zinc/25/81/65/1137258165.db2.gz HJLALKHGVQUUMN-UHFFFAOYSA-N 1 2 332.492 3.664 20 0 EHADLO CCOC(=O)c1cccc(CSCc2[nH+]cc(C)c(OC)c2C)n1 ZINC000865281360 1137273760 /nfs/dbraw/zinc/27/37/60/1137273760.db2.gz ZPNMMUNVFUXGFD-UHFFFAOYSA-N 1 2 346.452 3.712 20 0 EHADLO CC(C)(C)c1csc(CNc2cc(CSCCO)cc[nH+]2)n1 ZINC000865290237 1137274749 /nfs/dbraw/zinc/27/47/49/1137274749.db2.gz BSTSUPSGCATUGS-UHFFFAOYSA-N 1 2 337.514 3.673 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)sc1C ZINC001144359504 1137278411 /nfs/dbraw/zinc/27/84/11/1137278411.db2.gz FFYRWIIJYPCOTN-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)sc1C ZINC001144359504 1137278412 /nfs/dbraw/zinc/27/84/12/1137278412.db2.gz FFYRWIIJYPCOTN-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO C[C@@H](CC(=O)OCCCOc1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000845282994 1137283698 /nfs/dbraw/zinc/28/36/98/1137283698.db2.gz WUDPIWHNFWZHHD-INIZCTEOSA-N 1 2 338.407 4.000 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)nn1 ZINC000865455022 1137285543 /nfs/dbraw/zinc/28/55/43/1137285543.db2.gz RDGYZXTXIIVNTB-ZDUSSCGKSA-N 1 2 328.416 3.602 20 0 EHADLO Fc1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cnc1Cl ZINC000865473141 1137286966 /nfs/dbraw/zinc/28/69/66/1137286966.db2.gz KMBLLNVHVIFWHV-UHFFFAOYSA-N 1 2 325.718 3.639 20 0 EHADLO CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2c1 ZINC000845349929 1137287543 /nfs/dbraw/zinc/28/75/43/1137287543.db2.gz SYYYXPGFEZJXDN-UHFFFAOYSA-N 1 2 333.435 3.968 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc([S@](C)=O)cc1 ZINC000865510890 1137290378 /nfs/dbraw/zinc/29/03/78/1137290378.db2.gz OWNOVXKRLHADMJ-UZJPJQLHSA-N 1 2 343.279 3.977 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000845469301 1137293838 /nfs/dbraw/zinc/29/38/38/1137293838.db2.gz SKCQXSJVNSIGCV-WDEREUQCSA-N 1 2 332.791 3.668 20 0 EHADLO Cc1ccc(C[C@H](OC(=O)Cc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000845474748 1137294247 /nfs/dbraw/zinc/29/42/47/1137294247.db2.gz CFQQVPDHOORZBS-IBGZPJMESA-N 1 2 338.451 3.635 20 0 EHADLO CC(C)[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000845502776 1137295361 /nfs/dbraw/zinc/29/53/61/1137295361.db2.gz NSTQCMRYYHRVEE-IBGZPJMESA-N 1 2 348.393 3.981 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(Br)cc1F ZINC000865568043 1137295849 /nfs/dbraw/zinc/29/58/49/1137295849.db2.gz XRDOVNAWUIKAFE-SNVBAGLBSA-N 1 2 338.224 3.970 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@]12C[C@@H]1CCCC2 ZINC000865570017 1137295974 /nfs/dbraw/zinc/29/59/74/1137295974.db2.gz ZOKNKTZEZZMPKE-PXNSSMCTSA-N 1 2 327.472 3.659 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(OC)c(F)c2)cc1OC ZINC001144463500 1137297019 /nfs/dbraw/zinc/29/70/19/1137297019.db2.gz STFBRZSHMJAIQW-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cnc(OC)c(F)c2)cc1OC ZINC001144463500 1137297020 /nfs/dbraw/zinc/29/70/20/1137297020.db2.gz STFBRZSHMJAIQW-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(OC(F)F)cc2F)nn1 ZINC000865607998 1137298267 /nfs/dbraw/zinc/29/82/67/1137298267.db2.gz YNFRWIVITJNIAZ-UHFFFAOYSA-N 1 2 342.365 3.624 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCCc2ccc(F)cc21 ZINC000845553633 1137298974 /nfs/dbraw/zinc/29/89/74/1137298974.db2.gz VMZYMQHIPJHDAC-QGZVFWFLSA-N 1 2 328.387 3.522 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000845651983 1137303731 /nfs/dbraw/zinc/30/37/31/1137303731.db2.gz KHOZPDCTJBVVIG-HJWRWDBZSA-N 1 2 328.447 3.701 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000845651983 1137303733 /nfs/dbraw/zinc/30/37/33/1137303733.db2.gz KHOZPDCTJBVVIG-HJWRWDBZSA-N 1 2 328.447 3.701 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cncc(F)c1 ZINC000865804325 1137313089 /nfs/dbraw/zinc/31/30/89/1137313089.db2.gz TZWBCNQDVSFAQM-SNVBAGLBSA-N 1 2 342.340 3.623 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000120770854 1137316982 /nfs/dbraw/zinc/31/69/82/1137316982.db2.gz YILNFMPGOJUWNX-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000120770854 1137316984 /nfs/dbraw/zinc/31/69/84/1137316984.db2.gz YILNFMPGOJUWNX-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO COC(=O)c1cccc(C2CCN(Cc3[nH+]cn4ccccc34)CC2)c1 ZINC001144625196 1137318045 /nfs/dbraw/zinc/31/80/45/1137318045.db2.gz HPYKVCGEGYZNGC-UHFFFAOYSA-N 1 2 349.434 3.501 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2coc3ccc(Cl)cc23)C1 ZINC000846018810 1137326332 /nfs/dbraw/zinc/32/63/32/1137326332.db2.gz PQDYTXPNWSGWIZ-GFCCVEGCSA-N 1 2 343.814 3.840 20 0 EHADLO CNc1nc(N2CCC[C@H](OC3CCC3)CC2)[nH+]c2ccccc21 ZINC000866146069 1137331657 /nfs/dbraw/zinc/33/16/57/1137331657.db2.gz SXLXNJJKCPEBFB-HNNXBMFYSA-N 1 2 326.444 3.600 20 0 EHADLO Fc1cc(Cl)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1F ZINC001144721969 1137338944 /nfs/dbraw/zinc/33/89/44/1137338944.db2.gz JHQGKEZUGGGLOG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cc(Cl)c(C[N@H+]2CCCN(c3ccccn3)CC2)cc1F ZINC001144721969 1137338946 /nfs/dbraw/zinc/33/89/46/1137338946.db2.gz JHQGKEZUGGGLOG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144722275 1137338959 /nfs/dbraw/zinc/33/89/59/1137338959.db2.gz SLSIREZFLVGLMC-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144722275 1137338961 /nfs/dbraw/zinc/33/89/61/1137338961.db2.gz SLSIREZFLVGLMC-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144721995 1137339090 /nfs/dbraw/zinc/33/90/90/1137339090.db2.gz JYWLAERGABDBKA-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144721995 1137339091 /nfs/dbraw/zinc/33/90/91/1137339091.db2.gz JYWLAERGABDBKA-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866293536 1137343240 /nfs/dbraw/zinc/34/32/40/1137343240.db2.gz RPAKGHJVJNENPC-QAPCUYQASA-N 1 2 337.341 3.892 20 0 EHADLO ClC1(Cl)C[C@@H]1CCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000846212437 1137343546 /nfs/dbraw/zinc/34/35/46/1137343546.db2.gz DTIRGEYEDYHKON-GXSJLCMTSA-N 1 2 331.272 3.519 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000846249390 1137343845 /nfs/dbraw/zinc/34/38/45/1137343845.db2.gz OTLPNHFUCKQFGF-UHFFFAOYSA-N 1 2 325.456 3.760 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NCCC2CCC3(CC2)OCCO3)c1 ZINC001171222836 1137347797 /nfs/dbraw/zinc/34/77/97/1137347797.db2.gz MXLRKYQPGHBUBU-UHFFFAOYSA-N 1 2 341.455 3.822 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](C)c1cccc(SC(F)(F)F)c1 ZINC000866350934 1137348246 /nfs/dbraw/zinc/34/82/46/1137348246.db2.gz KBPRCZVLUDQBJC-SNVBAGLBSA-N 1 2 330.379 3.761 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H]2c3ccccc3OC[C@H]2F)C2CC2)cn1 ZINC000866398982 1137351913 /nfs/dbraw/zinc/35/19/13/1137351913.db2.gz NZDNIJZOKBRJMF-LZQZEXGQSA-N 1 2 328.387 3.603 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000846483283 1137353718 /nfs/dbraw/zinc/35/37/18/1137353718.db2.gz XRUPBZNSNVOOBI-INIZCTEOSA-N 1 2 340.471 3.711 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC000866483408 1137358351 /nfs/dbraw/zinc/35/83/51/1137358351.db2.gz HTMLLONSYXVRJO-AWEZNQCLSA-N 1 2 327.428 3.591 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC1(Br)CC1 ZINC000846772112 1137366468 /nfs/dbraw/zinc/36/64/68/1137366468.db2.gz ZUOZUSNJHYKHTP-UHFFFAOYSA-N 1 2 339.277 3.573 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC1(Br)CC1 ZINC000846772112 1137366469 /nfs/dbraw/zinc/36/64/69/1137366469.db2.gz ZUOZUSNJHYKHTP-UHFFFAOYSA-N 1 2 339.277 3.573 20 0 EHADLO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]Cc1ncc(Br)s1 ZINC000866616640 1137369927 /nfs/dbraw/zinc/36/99/27/1137369927.db2.gz RSFWKVRKASZNQF-LLVKDONJSA-N 1 2 345.212 3.961 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000866627415 1137371100 /nfs/dbraw/zinc/37/11/00/1137371100.db2.gz XVXHGQFVBDBPFJ-YLJYHZDGSA-N 1 2 347.478 3.685 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccco1 ZINC000846851880 1137372085 /nfs/dbraw/zinc/37/20/85/1137372085.db2.gz DPNWCAXZVGKJNL-AWEZNQCLSA-N 1 2 326.799 3.971 20 0 EHADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853416 1137372112 /nfs/dbraw/zinc/37/21/12/1137372112.db2.gz WBCZABNFTIUYGP-UZJPJQLHSA-N 1 2 345.295 3.740 20 0 EHADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853416 1137372114 /nfs/dbraw/zinc/37/21/14/1137372114.db2.gz WBCZABNFTIUYGP-UZJPJQLHSA-N 1 2 345.295 3.740 20 0 EHADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853415 1137372201 /nfs/dbraw/zinc/37/22/01/1137372201.db2.gz WBCZABNFTIUYGP-LADRHHBVSA-N 1 2 345.295 3.740 20 0 EHADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853415 1137372203 /nfs/dbraw/zinc/37/22/03/1137372203.db2.gz WBCZABNFTIUYGP-LADRHHBVSA-N 1 2 345.295 3.740 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ncc(-c2ccccc2F)o1)OCC ZINC000846973156 1137377936 /nfs/dbraw/zinc/37/79/36/1137377936.db2.gz WMYRYONRGXLKOL-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ncc(-c2ccccc2F)o1)OCC ZINC000846973156 1137377937 /nfs/dbraw/zinc/37/79/37/1137377937.db2.gz WMYRYONRGXLKOL-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000846953118 1137378844 /nfs/dbraw/zinc/37/88/44/1137378844.db2.gz NCALXABVYSGGTA-LBPRGKRZSA-N 1 2 331.391 3.546 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@](C)(c2cccc(F)c2)C1)n1cc[nH+]c1 ZINC001145056582 1137384367 /nfs/dbraw/zinc/38/43/67/1137384367.db2.gz OJRNYZFSRKVYRG-QUCCMNQESA-N 1 2 343.446 3.800 20 0 EHADLO CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC001146355580 1137389574 /nfs/dbraw/zinc/38/95/74/1137389574.db2.gz KJSNJFVTTQMUHV-OAQYLSRUSA-N 1 2 339.483 3.804 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001146661773 1137392327 /nfs/dbraw/zinc/39/23/27/1137392327.db2.gz NGUICTXEOSUCID-MRXNPFEDSA-N 1 2 325.412 3.841 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@H](C)C3)CC2)s1 ZINC001147256619 1137402879 /nfs/dbraw/zinc/40/28/79/1137402879.db2.gz DXCZMENGOYCGCO-JKSUJKDBSA-N 1 2 334.529 3.781 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CSc2ccccc21 ZINC001147472479 1137407188 /nfs/dbraw/zinc/40/71/88/1137407188.db2.gz ZHKYHWYSGBNEFE-SJORKVTESA-N 1 2 349.459 3.895 20 0 EHADLO CC[C@@H](C(=O)N1CCCCCc2ccccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC001147549168 1137408901 /nfs/dbraw/zinc/40/89/01/1137408901.db2.gz FGNKVBZTYQTINB-MOPGFXCFSA-N 1 2 344.499 3.635 20 0 EHADLO CC[C@@H](C(=O)N1CCCCCc2ccccc21)[N@H+]1CCO[C@H](CC)C1 ZINC001147549168 1137408902 /nfs/dbraw/zinc/40/89/02/1137408902.db2.gz FGNKVBZTYQTINB-MOPGFXCFSA-N 1 2 344.499 3.635 20 0 EHADLO CCc1cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC001147710447 1137411432 /nfs/dbraw/zinc/41/14/32/1137411432.db2.gz GDTMQMXSCVXOBW-UHFFFAOYSA-N 1 2 325.437 3.768 20 0 EHADLO CC(C)(C)[NH+]1CC(NC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC001147997105 1137416889 /nfs/dbraw/zinc/41/68/89/1137416889.db2.gz ZDIHUIFKGYQRAZ-UHFFFAOYSA-N 1 2 340.851 3.906 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC(C)(C)C ZINC001171336564 1137432019 /nfs/dbraw/zinc/43/20/19/1137432019.db2.gz IGZXYAHOGBLOAE-WMLDXEAASA-N 1 2 339.426 3.778 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)cs1 ZINC000282815318 1137452513 /nfs/dbraw/zinc/45/25/13/1137452513.db2.gz RLFNAKSEKIMROI-SECBINFHSA-N 1 2 343.294 3.708 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3ccccc3c2)s1 ZINC001171354789 1137456824 /nfs/dbraw/zinc/45/68/24/1137456824.db2.gz UUYUANCOVSLZHJ-GFCCVEGCSA-N 1 2 326.421 3.934 20 0 EHADLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2Cl)c(Br)n1 ZINC000712434472 1137468075 /nfs/dbraw/zinc/46/80/75/1137468075.db2.gz NTEJYTNXLFJNIO-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714951204 1137475131 /nfs/dbraw/zinc/47/51/31/1137475131.db2.gz LTZYNUVHEOOQTE-UHFFFAOYSA-N 1 2 341.274 3.984 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773256205 1137481714 /nfs/dbraw/zinc/48/17/14/1137481714.db2.gz BHSNABDZHAQTIW-CHWSQXEVSA-N 1 2 339.530 3.648 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773256205 1137481715 /nfs/dbraw/zinc/48/17/15/1137481715.db2.gz BHSNABDZHAQTIW-CHWSQXEVSA-N 1 2 339.530 3.648 20 0 EHADLO Cc1cc(C)c(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000773275264 1137484143 /nfs/dbraw/zinc/48/41/43/1137484143.db2.gz JVFAABKLUJNZMZ-GOSISDBHSA-N 1 2 327.472 3.582 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000870304525 1137486808 /nfs/dbraw/zinc/48/68/08/1137486808.db2.gz UYIUNSBRLZSGGW-UHFFFAOYSA-N 1 2 335.835 3.556 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171447449 1137487353 /nfs/dbraw/zinc/48/73/53/1137487353.db2.gz CHAXTZPMUFJKMD-WMLDXEAASA-N 1 2 339.426 3.778 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000773296273 1137487618 /nfs/dbraw/zinc/48/76/18/1137487618.db2.gz GTKRCYXDUYYTCR-UHFFFAOYSA-N 1 2 344.361 3.889 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)O1 ZINC000870349458 1137489564 /nfs/dbraw/zinc/48/95/64/1137489564.db2.gz ONCQWSFCAGXSQT-HBUWYVDXSA-N 1 2 340.423 3.605 20 0 EHADLO Cc1ccc(NCc2cccc3ncoc32)c(C[NH+]2CCOCC2)c1 ZINC001171458033 1137490278 /nfs/dbraw/zinc/49/02/78/1137490278.db2.gz PXVCLVLBCYYPCW-UHFFFAOYSA-N 1 2 337.423 3.581 20 0 EHADLO Cc1nc([C@H]2COCC[N@@H+]2[C@@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567159 1137498307 /nfs/dbraw/zinc/49/83/07/1137498307.db2.gz NOTAXTZYKRFURF-VQIMIIECSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@H]2COCC[N@H+]2[C@@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567159 1137498308 /nfs/dbraw/zinc/49/83/08/1137498308.db2.gz NOTAXTZYKRFURF-VQIMIIECSA-N 1 2 328.481 3.691 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601824 1137500132 /nfs/dbraw/zinc/50/01/32/1137500132.db2.gz MFOHHJBOHOEMNF-GBJTYRQASA-N 1 2 346.462 3.792 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171810978 1137514117 /nfs/dbraw/zinc/51/41/17/1137514117.db2.gz FGSDRJPLPIIAEV-BEFAXECRSA-N 1 2 342.433 3.811 20 0 EHADLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000795150291 1137515717 /nfs/dbraw/zinc/51/57/17/1137515717.db2.gz APFIDGNNBLJXTQ-QGZVFWFLSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccoc1C[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000795150291 1137515719 /nfs/dbraw/zinc/51/57/19/1137515719.db2.gz APFIDGNNBLJXTQ-QGZVFWFLSA-N 1 2 326.440 3.751 20 0 EHADLO C[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1)n1cc[nH+]c1 ZINC000871142604 1137523421 /nfs/dbraw/zinc/52/34/21/1137523421.db2.gz NSDJQIDBDAATQH-ZDUSSCGKSA-N 1 2 335.411 3.740 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172340150 1137552156 /nfs/dbraw/zinc/55/21/56/1137552156.db2.gz RNCNYPGECQJTRW-IKGGRYGDSA-N 1 2 349.519 3.780 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172340150 1137552158 /nfs/dbraw/zinc/55/21/58/1137552158.db2.gz RNCNYPGECQJTRW-IKGGRYGDSA-N 1 2 349.519 3.780 20 0 EHADLO O=C(NCC1CCC2(CC2)CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923633133 1137558773 /nfs/dbraw/zinc/55/87/73/1137558773.db2.gz RMESJNJUYYKCEV-UHFFFAOYSA-N 1 2 342.487 3.638 20 0 EHADLO CC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC(F)(F)C1 ZINC000871828249 1137559479 /nfs/dbraw/zinc/55/94/79/1137559479.db2.gz JQPLUBZZLIKXIQ-UHFFFAOYSA-N 1 2 330.338 3.668 20 0 EHADLO C/C=C/c1ccc(OC[C@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871990130 1137564306 /nfs/dbraw/zinc/56/43/06/1137564306.db2.gz XJGHSWWYBZGHEM-FYCOFBDGSA-N 1 2 344.455 3.662 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000872059599 1137568787 /nfs/dbraw/zinc/56/87/87/1137568787.db2.gz ITJWQMJAYFABOS-WMZOPIPTSA-N 1 2 330.472 3.815 20 0 EHADLO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ncc(Cl)s2)s1 ZINC000872114859 1137572051 /nfs/dbraw/zinc/57/20/51/1137572051.db2.gz CWYKWBOLQYOWFA-QMMMGPOBSA-N 1 2 331.894 3.601 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000872115661 1137572096 /nfs/dbraw/zinc/57/20/96/1137572096.db2.gz GAUWIMAGLIJJAK-NSHDSACASA-N 1 2 330.741 3.575 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000872137570 1137573693 /nfs/dbraw/zinc/57/36/93/1137573693.db2.gz UKGFIIGPUYXIRX-ZDUSSCGKSA-N 1 2 326.425 3.669 20 0 EHADLO Cc1sc(C[NH2+]Cc2nccc(C(F)F)n2)cc1Br ZINC000873126348 1137590606 /nfs/dbraw/zinc/59/06/06/1137590606.db2.gz FYWXOBGORLJEQQ-UHFFFAOYSA-N 1 2 348.216 3.836 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2sccc2C(F)F)[C@H](c2ccccc2)C1 ZINC000873900457 1137607939 /nfs/dbraw/zinc/60/79/39/1137607939.db2.gz ZDKYIOKPAURMNZ-AWEZNQCLSA-N 1 2 336.407 3.815 20 0 EHADLO C[N@H+]1CCN(C(=O)c2sccc2C(F)F)[C@H](c2ccccc2)C1 ZINC000873900457 1137607940 /nfs/dbraw/zinc/60/79/40/1137607940.db2.gz ZDKYIOKPAURMNZ-AWEZNQCLSA-N 1 2 336.407 3.815 20 0 EHADLO C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1c(F)cccc1F ZINC000873969827 1137608645 /nfs/dbraw/zinc/60/86/45/1137608645.db2.gz RCFDFTZDTAEQMR-SKDRFNHKSA-N 1 2 347.287 3.532 20 0 EHADLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccn1Cc1ccccc1 ZINC000874256060 1137612226 /nfs/dbraw/zinc/61/22/26/1137612226.db2.gz AQHJXQZHUMVHPM-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO CCC1(CC)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000874630109 1137619586 /nfs/dbraw/zinc/61/95/86/1137619586.db2.gz OFCNCAILCGLIPS-UHFFFAOYSA-N 1 2 325.456 3.655 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874897003 1137625690 /nfs/dbraw/zinc/62/56/90/1137625690.db2.gz VXBFSXHAZJVIHR-HNNXBMFYSA-N 1 2 347.459 3.501 20 0 EHADLO Cc1cc(C)c(NC(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000875098633 1137629144 /nfs/dbraw/zinc/62/91/44/1137629144.db2.gz XUORLPOCXMOXMA-OAHLLOKOSA-N 1 2 345.443 3.559 20 0 EHADLO CCN(CCc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876212083 1137646307 /nfs/dbraw/zinc/64/63/07/1137646307.db2.gz HLKSLMHHGAFWFY-SFHVURJKSA-N 1 2 343.496 3.509 20 0 EHADLO CCN(CCc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876212083 1137646308 /nfs/dbraw/zinc/64/63/08/1137646308.db2.gz HLKSLMHHGAFWFY-SFHVURJKSA-N 1 2 343.496 3.509 20 0 EHADLO CCCCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000876291088 1137647782 /nfs/dbraw/zinc/64/77/82/1137647782.db2.gz LEXQCQGEFURFLI-UHFFFAOYSA-N 1 2 334.423 3.773 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000876336408 1137649188 /nfs/dbraw/zinc/64/91/88/1137649188.db2.gz NMSYACKYINLPQV-CYBMUJFWSA-N 1 2 346.500 3.858 20 0 EHADLO Oc1ccc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)cc1 ZINC000876525602 1137654707 /nfs/dbraw/zinc/65/47/07/1137654707.db2.gz LIQJLPCZFLQTDP-UHFFFAOYSA-N 1 2 343.814 3.509 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000876560934 1137655500 /nfs/dbraw/zinc/65/55/00/1137655500.db2.gz GVDKHWOJHCEQOA-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000876560934 1137655501 /nfs/dbraw/zinc/65/55/01/1137655501.db2.gz GVDKHWOJHCEQOA-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876622321 1137657461 /nfs/dbraw/zinc/65/74/61/1137657461.db2.gz UVQJQSUKSGJAEN-KRWDZBQOSA-N 1 2 348.406 3.757 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876622321 1137657462 /nfs/dbraw/zinc/65/74/62/1137657462.db2.gz UVQJQSUKSGJAEN-KRWDZBQOSA-N 1 2 348.406 3.757 20 0 EHADLO Cc1nc2ccccc2nc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000876821055 1137662668 /nfs/dbraw/zinc/66/26/68/1137662668.db2.gz AXFBZQLIGDJGAB-UHFFFAOYSA-N 1 2 348.450 3.511 20 0 EHADLO Cn1c(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc2ccccc21 ZINC000876821735 1137662675 /nfs/dbraw/zinc/66/26/75/1137662675.db2.gz KIROOSJVONYYMH-UHFFFAOYSA-N 1 2 335.451 3.752 20 0 EHADLO Clc1csc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)n1 ZINC000877505526 1137678889 /nfs/dbraw/zinc/67/88/89/1137678889.db2.gz ULTAFYKMASHJLH-UHFFFAOYSA-N 1 2 345.859 3.542 20 0 EHADLO Clc1csc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)n1 ZINC000877505526 1137678890 /nfs/dbraw/zinc/67/88/90/1137678890.db2.gz ULTAFYKMASHJLH-UHFFFAOYSA-N 1 2 345.859 3.542 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503424 1137678941 /nfs/dbraw/zinc/67/89/41/1137678941.db2.gz LTBUNLYFEQGGBK-CYBMUJFWSA-N 1 2 332.341 3.784 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503424 1137678942 /nfs/dbraw/zinc/67/89/42/1137678942.db2.gz LTBUNLYFEQGGBK-CYBMUJFWSA-N 1 2 332.341 3.784 20 0 EHADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1cc2nc(Cl)ccc2s1 ZINC000877518433 1137679455 /nfs/dbraw/zinc/67/94/55/1137679455.db2.gz ILHVHSRIGNZCCT-VIFPVBQESA-N 1 2 332.803 3.806 20 0 EHADLO FC(F)C[C@H]1COCC[N@H+]1Cc1cc2nc(Cl)ccc2s1 ZINC000877518433 1137679456 /nfs/dbraw/zinc/67/94/56/1137679456.db2.gz ILHVHSRIGNZCCT-VIFPVBQESA-N 1 2 332.803 3.806 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000877663642 1137684927 /nfs/dbraw/zinc/68/49/27/1137684927.db2.gz WVXUKFGVROZRIB-HNNXBMFYSA-N 1 2 349.475 3.821 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000877663642 1137684928 /nfs/dbraw/zinc/68/49/28/1137684928.db2.gz WVXUKFGVROZRIB-HNNXBMFYSA-N 1 2 349.475 3.821 20 0 EHADLO COc1cc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)sn1 ZINC000877668812 1137685085 /nfs/dbraw/zinc/68/50/85/1137685085.db2.gz OISIIXYOWNVSLH-UHFFFAOYSA-N 1 2 337.832 3.971 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000877774548 1137689427 /nfs/dbraw/zinc/68/94/27/1137689427.db2.gz MVHBOMPQJMOKOR-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000877774548 1137689426 /nfs/dbraw/zinc/68/94/26/1137689426.db2.gz MVHBOMPQJMOKOR-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000877894394 1137694601 /nfs/dbraw/zinc/69/46/01/1137694601.db2.gz LXVOZBBNRSZSMO-IBGZPJMESA-N 1 2 345.439 3.851 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2nc3c(o2)CCCC3)cc1OC ZINC000877905118 1137695021 /nfs/dbraw/zinc/69/50/21/1137695021.db2.gz YUXHHDLPLMGSOO-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2nc3c(o2)CCCC3)cc1OC ZINC000877905118 1137695022 /nfs/dbraw/zinc/69/50/22/1137695022.db2.gz YUXHHDLPLMGSOO-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)cc1OC ZINC000877907662 1137695062 /nfs/dbraw/zinc/69/50/62/1137695062.db2.gz ATFZDZLXYNLQFW-MRXNPFEDSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)cc1OC ZINC000877907662 1137695063 /nfs/dbraw/zinc/69/50/63/1137695063.db2.gz ATFZDZLXYNLQFW-MRXNPFEDSA-N 1 2 342.439 3.908 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000877918864 1137695572 /nfs/dbraw/zinc/69/55/72/1137695572.db2.gz XAEWFWDWSUZZNC-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000877918864 1137695573 /nfs/dbraw/zinc/69/55/73/1137695573.db2.gz XAEWFWDWSUZZNC-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO c1cc2c(cc1[C@H]1CCC[N@H+]1Cc1nc3c(o1)CCCC3)OCCO2 ZINC000877937464 1137696315 /nfs/dbraw/zinc/69/63/15/1137696315.db2.gz MOTODXJOWGXRDO-MRXNPFEDSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(cc1[C@H]1CCC[N@@H+]1Cc1nc3c(o1)CCCC3)OCCO2 ZINC000877937464 1137696316 /nfs/dbraw/zinc/69/63/16/1137696316.db2.gz MOTODXJOWGXRDO-MRXNPFEDSA-N 1 2 340.423 3.662 20 0 EHADLO CC(C)(CC(=O)NCc1ccccc1Cn1cc[nH+]c1)CC(F)F ZINC000878013382 1137699621 /nfs/dbraw/zinc/69/96/21/1137699621.db2.gz FRGANHOSWYETCU-UHFFFAOYSA-N 1 2 335.398 3.619 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000878029480 1137700014 /nfs/dbraw/zinc/70/00/14/1137700014.db2.gz WRZJTGWNGQXAAE-ZDUSSCGKSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000878166302 1137705381 /nfs/dbraw/zinc/70/53/81/1137705381.db2.gz QPAVRKQLFRIHMQ-QGZVFWFLSA-N 1 2 327.403 3.695 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000878166302 1137705382 /nfs/dbraw/zinc/70/53/82/1137705382.db2.gz QPAVRKQLFRIHMQ-QGZVFWFLSA-N 1 2 327.403 3.695 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)c1ccccc1F ZINC000878223721 1137707740 /nfs/dbraw/zinc/70/77/40/1137707740.db2.gz RDBMYFVKUHUBPH-QUCCMNQESA-N 1 2 327.399 3.597 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)c1ccccc1F ZINC000878223721 1137707741 /nfs/dbraw/zinc/70/77/41/1137707741.db2.gz RDBMYFVKUHUBPH-QUCCMNQESA-N 1 2 327.399 3.597 20 0 EHADLO COC[C@@H]([NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1)C1CC1 ZINC000878378969 1137713619 /nfs/dbraw/zinc/71/36/19/1137713619.db2.gz RHSREBSJIFBWJN-GFCCVEGCSA-N 1 2 342.226 3.558 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455462 1137716698 /nfs/dbraw/zinc/71/66/98/1137716698.db2.gz ZLSNLRUYYRHAJL-PWSUYJOCSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455462 1137716699 /nfs/dbraw/zinc/71/66/99/1137716699.db2.gz ZLSNLRUYYRHAJL-PWSUYJOCSA-N 1 2 344.406 3.706 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)no1 ZINC000878631488 1137723107 /nfs/dbraw/zinc/72/31/07/1137723107.db2.gz BKXKJONDWWGCGR-USXIJHARSA-N 1 2 345.443 3.566 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3coc(C4CC4)n3)CC2)c1 ZINC000878635631 1137723293 /nfs/dbraw/zinc/72/32/93/1137723293.db2.gz MTQOFCKEMQXAIS-UHFFFAOYSA-N 1 2 333.819 3.644 20 0 EHADLO c1ccc([C@@H]2[N@H+](Cc3nc4c(o3)CCCC4)CC23CCOCC3)cc1 ZINC000878710136 1137725787 /nfs/dbraw/zinc/72/57/87/1137725787.db2.gz DDEFYTCMCJOZFK-FQEVSTJZSA-N 1 2 338.451 3.907 20 0 EHADLO c1ccc([C@@H]2[N@@H+](Cc3nc4c(o3)CCCC4)CC23CCOCC3)cc1 ZINC000878710136 1137725788 /nfs/dbraw/zinc/72/57/88/1137725788.db2.gz DDEFYTCMCJOZFK-FQEVSTJZSA-N 1 2 338.451 3.907 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000878994498 1137734564 /nfs/dbraw/zinc/73/45/64/1137734564.db2.gz RYRUIEAMIDVTEY-ZDUSSCGKSA-N 1 2 347.846 3.843 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H](CC(F)(F)F)O1 ZINC000878997160 1137734736 /nfs/dbraw/zinc/73/47/36/1137734736.db2.gz BQGMUHVUUMLGGJ-IWCQGFGOSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H](CC(F)(F)F)O1 ZINC000878997160 1137734737 /nfs/dbraw/zinc/73/47/37/1137734737.db2.gz BQGMUHVUUMLGGJ-IWCQGFGOSA-N 1 2 343.389 3.948 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cncc(C(F)(F)F)c2)c1C ZINC000879119490 1137738696 /nfs/dbraw/zinc/73/86/96/1137738696.db2.gz QPUKJJUGMDGDNV-UHFFFAOYSA-N 1 2 326.366 3.566 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cncc(C(F)(F)F)c2)c1C ZINC000879119490 1137738697 /nfs/dbraw/zinc/73/86/97/1137738697.db2.gz QPUKJJUGMDGDNV-UHFFFAOYSA-N 1 2 326.366 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000879152786 1137739559 /nfs/dbraw/zinc/73/95/59/1137739559.db2.gz VYPHJCMXOKSPKX-IMFGXOCKSA-N 1 2 337.467 3.803 20 0 EHADLO CC(C)([NH2+]CC(=O)N1CCCCCC1)c1nc2cc(Cl)ccc2o1 ZINC000879157794 1137739711 /nfs/dbraw/zinc/73/97/11/1137739711.db2.gz QKNBKOBYBFHLPH-UHFFFAOYSA-N 1 2 349.862 3.709 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000879237877 1137741878 /nfs/dbraw/zinc/74/18/78/1137741878.db2.gz QSCXJAOYGZCTPX-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000879237877 1137741879 /nfs/dbraw/zinc/74/18/79/1137741879.db2.gz QSCXJAOYGZCTPX-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000879237307 1137741881 /nfs/dbraw/zinc/74/18/81/1137741881.db2.gz HGQVALCTECUINA-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000879237307 1137741882 /nfs/dbraw/zinc/74/18/82/1137741882.db2.gz HGQVALCTECUINA-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO COc1ccc(C[N@H+](C/C(Cl)=C/Cl)[C@@H](C)CCCO)cc1 ZINC000879287536 1137743422 /nfs/dbraw/zinc/74/34/22/1137743422.db2.gz KEVMZYWQRNAUAA-OJNRTJSBSA-N 1 2 332.271 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C/C(Cl)=C/Cl)[C@@H](C)CCCO)cc1 ZINC000879287536 1137743423 /nfs/dbraw/zinc/74/34/23/1137743423.db2.gz KEVMZYWQRNAUAA-OJNRTJSBSA-N 1 2 332.271 3.977 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000879376755 1137745952 /nfs/dbraw/zinc/74/59/52/1137745952.db2.gz FVEQCOQGTFYCIT-NSHDSACASA-N 1 2 341.411 3.887 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000879667627 1137754512 /nfs/dbraw/zinc/75/45/12/1137754512.db2.gz NNVZZXPGADSRQK-GHMZBOCLSA-N 1 2 329.347 3.785 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000879669605 1137754615 /nfs/dbraw/zinc/75/46/15/1137754615.db2.gz SQTAMQGVBUUCLF-GMTAPVOTSA-N 1 2 335.395 3.870 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1ccnn1C ZINC000879683094 1137755157 /nfs/dbraw/zinc/75/51/57/1137755157.db2.gz LWQRJVLESKGFJQ-LBPRGKRZSA-N 1 2 346.887 3.972 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1F ZINC000879734141 1137757084 /nfs/dbraw/zinc/75/70/84/1137757084.db2.gz HBWZMYRWRVPSBP-LBPRGKRZSA-N 1 2 348.447 3.659 20 0 EHADLO CC1(C)CC[C@@H](CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)OC1 ZINC000879975973 1137763670 /nfs/dbraw/zinc/76/36/70/1137763670.db2.gz KUAHFXPKHVZGKB-ULQDDVLXSA-N 1 2 345.487 3.516 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999953 1137764008 /nfs/dbraw/zinc/76/40/08/1137764008.db2.gz JARLISCWUXQWCB-IAQYHMDHSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999953 1137764009 /nfs/dbraw/zinc/76/40/09/1137764009.db2.gz JARLISCWUXQWCB-IAQYHMDHSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@](C)(C(F)(F)F)C3)o2)c(C)o1 ZINC000880001121 1137764385 /nfs/dbraw/zinc/76/43/85/1137764385.db2.gz QNYYYEPVIIOKJT-CQSZACIVSA-N 1 2 329.322 3.721 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@@](C)(C(F)(F)F)C3)o2)c(C)o1 ZINC000880001121 1137764386 /nfs/dbraw/zinc/76/43/86/1137764386.db2.gz QNYYYEPVIIOKJT-CQSZACIVSA-N 1 2 329.322 3.721 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191137 1137770497 /nfs/dbraw/zinc/77/04/97/1137770497.db2.gz UFLSIZVZLLQAIU-ROUUACIJSA-N 1 2 348.475 3.668 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191137 1137770498 /nfs/dbraw/zinc/77/04/98/1137770498.db2.gz UFLSIZVZLLQAIU-ROUUACIJSA-N 1 2 348.475 3.668 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@]3(c4ccccc4)C[C@@H](O)C3)cs2)o1 ZINC000880222495 1137771390 /nfs/dbraw/zinc/77/13/90/1137771390.db2.gz UPGOXAZBBRTSFU-UWUNEBHHSA-N 1 2 340.448 3.851 20 0 EHADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276414 1137772746 /nfs/dbraw/zinc/77/27/46/1137772746.db2.gz HKOCTDYZNJIWOO-BBRMVZONSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276414 1137772747 /nfs/dbraw/zinc/77/27/47/1137772747.db2.gz HKOCTDYZNJIWOO-BBRMVZONSA-N 1 2 337.427 3.709 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CF)C2)cs1)c1ccccc1 ZINC000880297336 1137773893 /nfs/dbraw/zinc/77/38/93/1137773893.db2.gz MTLJAVYOMPIUIW-AWEZNQCLSA-N 1 2 333.432 3.619 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CF)C2)cs1)c1ccccc1 ZINC000880297336 1137773894 /nfs/dbraw/zinc/77/38/94/1137773894.db2.gz MTLJAVYOMPIUIW-AWEZNQCLSA-N 1 2 333.432 3.619 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880319289 1137775069 /nfs/dbraw/zinc/77/50/69/1137775069.db2.gz VJRAWJOCNRMSCO-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880319289 1137775070 /nfs/dbraw/zinc/77/50/70/1137775070.db2.gz VJRAWJOCNRMSCO-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO CN(C[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1)C(=O)OC(C)(C)C ZINC000880344830 1137775640 /nfs/dbraw/zinc/77/56/40/1137775640.db2.gz SRBNFAGYEVLLCG-MRXNPFEDSA-N 1 2 349.475 3.773 20 0 EHADLO CN(C[C@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1)C(=O)OC(C)(C)C ZINC000880344830 1137775641 /nfs/dbraw/zinc/77/56/41/1137775641.db2.gz SRBNFAGYEVLLCG-MRXNPFEDSA-N 1 2 349.475 3.773 20 0 EHADLO Clc1cc(Br)cc(C2([NH2+]Cc3cnns3)CC2)c1 ZINC000880351872 1137775965 /nfs/dbraw/zinc/77/59/65/1137775965.db2.gz LGMFHVRRGVALRZ-UHFFFAOYSA-N 1 2 344.665 3.733 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CC[C@H](O)c1ccccc1)C3 ZINC000880368126 1137776492 /nfs/dbraw/zinc/77/64/92/1137776492.db2.gz XQDFMSJTMYZCIK-NRFANRHFSA-N 1 2 336.435 3.658 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CC[C@H](O)c1ccccc1)C3 ZINC000880368126 1137776493 /nfs/dbraw/zinc/77/64/93/1137776493.db2.gz XQDFMSJTMYZCIK-NRFANRHFSA-N 1 2 336.435 3.658 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)cs1 ZINC000880371312 1137776988 /nfs/dbraw/zinc/77/69/88/1137776988.db2.gz FKLGKBHPNVKOIX-SFHVURJKSA-N 1 2 330.453 3.831 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@]2(C)c2ccccc2)cs1 ZINC000880371312 1137776989 /nfs/dbraw/zinc/77/69/89/1137776989.db2.gz FKLGKBHPNVKOIX-SFHVURJKSA-N 1 2 330.453 3.831 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1ccncc1F)CC2 ZINC000880393263 1137777788 /nfs/dbraw/zinc/77/77/88/1137777788.db2.gz LOFLQVFOHYFKDB-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1ccncc1F)CC2 ZINC000880393263 1137777789 /nfs/dbraw/zinc/77/77/89/1137777789.db2.gz LOFLQVFOHYFKDB-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO C[NH+](C)C1(C(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)CC1 ZINC001137163198 1137800305 /nfs/dbraw/zinc/80/03/05/1137800305.db2.gz FHYBDWPWKUETOE-UHFFFAOYSA-N 1 2 340.471 3.718 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2(C)C)cc1 ZINC000881659451 1137813106 /nfs/dbraw/zinc/81/31/06/1137813106.db2.gz CZJOWPACDPNQFE-PKOBYXMFSA-N 1 2 337.467 3.549 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000882035786 1137819455 /nfs/dbraw/zinc/81/94/55/1137819455.db2.gz PWTWMVZFEMBCBN-FQEVSTJZSA-N 1 2 325.456 3.746 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000882035786 1137819456 /nfs/dbraw/zinc/81/94/56/1137819456.db2.gz PWTWMVZFEMBCBN-FQEVSTJZSA-N 1 2 325.456 3.746 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904480 1137820811 /nfs/dbraw/zinc/82/08/11/1137820811.db2.gz MLQNJFJUPAFUOC-MOPGFXCFSA-N 1 2 325.456 3.896 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000888906233 1137823552 /nfs/dbraw/zinc/82/35/52/1137823552.db2.gz ZQOHVVAJICURRE-GUDVDZBRSA-N 1 2 337.467 3.678 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882571270 1137829631 /nfs/dbraw/zinc/82/96/31/1137829631.db2.gz FOTRYZCTKKCIIG-BXUZGUMPSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC000882871552 1137836162 /nfs/dbraw/zinc/83/61/62/1137836162.db2.gz JMCGXQUZTKJZKH-CVEARBPZSA-N 1 2 333.382 3.566 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)n1 ZINC000882883273 1137836785 /nfs/dbraw/zinc/83/67/85/1137836785.db2.gz UNNBVFJZWSEGAJ-UHFFFAOYSA-N 1 2 326.444 3.562 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000882908811 1137837648 /nfs/dbraw/zinc/83/76/48/1137837648.db2.gz FJNGWDIHAMHRTN-CQSZACIVSA-N 1 2 328.460 3.808 20 0 EHADLO C[C@H](O)C[N@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000130779600 1137842014 /nfs/dbraw/zinc/84/20/14/1137842014.db2.gz HNXLEJFHFKHKOO-JTQLQIEISA-N 1 2 328.890 3.760 20 0 EHADLO C[C@H](O)C[N@@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000130779600 1137842015 /nfs/dbraw/zinc/84/20/15/1137842015.db2.gz HNXLEJFHFKHKOO-JTQLQIEISA-N 1 2 328.890 3.760 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1cnc(C2OCCO2)s1 ZINC000883215402 1137849072 /nfs/dbraw/zinc/84/90/72/1137849072.db2.gz XZSNYFARQIHZJV-UHFFFAOYSA-N 1 2 344.440 3.731 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc(C)c(Br)cn2)c(Cl)n1 ZINC000883292963 1137853072 /nfs/dbraw/zinc/85/30/72/1137853072.db2.gz FHPNTYCLQKMJAW-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO CCCOc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1OCC ZINC000883308468 1137853919 /nfs/dbraw/zinc/85/39/19/1137853919.db2.gz QDIUVBIBZIYIPA-UHFFFAOYSA-N 1 2 341.455 3.833 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1C ZINC000131633178 1137857571 /nfs/dbraw/zinc/85/75/71/1137857571.db2.gz RRMLTMIIBBUGHN-KMFMINBZSA-N 1 2 331.460 3.570 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2CCC2)C[C@@H](C)O1 ZINC000131767031 1137860277 /nfs/dbraw/zinc/86/02/77/1137860277.db2.gz DTYRSGQYDHHOOU-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000429561464 1137887677 /nfs/dbraw/zinc/88/76/77/1137887677.db2.gz QYLOSMOXLHLSOQ-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000429561464 1137887678 /nfs/dbraw/zinc/88/76/78/1137887678.db2.gz QYLOSMOXLHLSOQ-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)c1 ZINC001137893426 1137896528 /nfs/dbraw/zinc/89/65/28/1137896528.db2.gz UXQDXYZOIRAVRS-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)c1 ZINC001137893426 1137896529 /nfs/dbraw/zinc/89/65/29/1137896529.db2.gz UXQDXYZOIRAVRS-CQSZACIVSA-N 1 2 325.305 3.896 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)cs1 ZINC000111375592 1137904433 /nfs/dbraw/zinc/90/44/33/1137904433.db2.gz YYXYUPGGOBEQKX-CABCVRRESA-N 1 2 345.512 3.712 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000111376757 1137904456 /nfs/dbraw/zinc/90/44/56/1137904456.db2.gz FQLIFFCWHDLJIN-NWDGAFQWSA-N 1 2 335.448 3.831 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cs1 ZINC000111376511 1137904506 /nfs/dbraw/zinc/90/45/06/1137904506.db2.gz KKXUILPPMTXKFE-AAEUAGOBSA-N 1 2 349.887 3.815 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111901654 1137906084 /nfs/dbraw/zinc/90/60/84/1137906084.db2.gz FGBOBPRMBDDDJQ-RBUKOAKNSA-N 1 2 338.455 3.566 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331729197 1137918425 /nfs/dbraw/zinc/91/84/25/1137918425.db2.gz OFFKTFPKUSHBPF-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331729197 1137918426 /nfs/dbraw/zinc/91/84/26/1137918426.db2.gz OFFKTFPKUSHBPF-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000115112588 1137920361 /nfs/dbraw/zinc/92/03/61/1137920361.db2.gz IOBBWLFKJBPKTA-SFHVURJKSA-N 1 2 334.423 3.703 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)c(C)[nH+]1 ZINC000332110626 1137932030 /nfs/dbraw/zinc/93/20/30/1137932030.db2.gz BWPMNRRRCMCDTD-OAHLLOKOSA-N 1 2 329.375 3.791 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332156286 1137933910 /nfs/dbraw/zinc/93/39/10/1137933910.db2.gz NYWVMQLASPENPT-HZPDHXFCSA-N 1 2 326.444 3.677 20 0 EHADLO COC[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc(Cl)c1F ZINC000348318252 1137947320 /nfs/dbraw/zinc/94/73/20/1137947320.db2.gz XXTFKRCVQJOJCB-HNNXBMFYSA-N 1 2 333.794 3.604 20 0 EHADLO Clc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)nc1 ZINC000885927514 1138025583 /nfs/dbraw/zinc/02/55/83/1138025583.db2.gz SGXCEKBMEOAUKX-UHFFFAOYSA-N 1 2 338.842 3.699 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c(F)c1OC ZINC000885927570 1138025602 /nfs/dbraw/zinc/02/56/02/1138025602.db2.gz VBGRVEIXGKVJNV-JTQLQIEISA-N 1 2 325.330 3.972 20 0 EHADLO FC(F)COc1ccccc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000886025739 1138033131 /nfs/dbraw/zinc/03/31/31/1138033131.db2.gz IXUNNECIFKJQJT-UHFFFAOYSA-N 1 2 335.398 3.932 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886023888 1138033298 /nfs/dbraw/zinc/03/32/98/1138033298.db2.gz UGPIRJXXKVAOTM-IBGZPJMESA-N 1 2 339.483 3.713 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886023888 1138033301 /nfs/dbraw/zinc/03/33/01/1138033301.db2.gz UGPIRJXXKVAOTM-IBGZPJMESA-N 1 2 339.483 3.713 20 0 EHADLO c1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]2CCCO2)cc1 ZINC000053228625 1138046378 /nfs/dbraw/zinc/04/63/78/1138046378.db2.gz WNWUYEBMSGQBPN-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO c1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]2CCCO2)cc1 ZINC000053228625 1138046381 /nfs/dbraw/zinc/04/63/81/1138046381.db2.gz WNWUYEBMSGQBPN-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@@H]2C ZINC000886162660 1138054429 /nfs/dbraw/zinc/05/44/29/1138054429.db2.gz VIDADBUXFVVWCB-IAGOWNOFSA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](C[C@@H](C)COCc1ccccc1)[C@@H]2C ZINC000886162660 1138054431 /nfs/dbraw/zinc/05/44/31/1138054431.db2.gz VIDADBUXFVVWCB-IAGOWNOFSA-N 1 2 342.487 3.631 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)n1 ZINC000886691305 1138116421 /nfs/dbraw/zinc/11/64/21/1138116421.db2.gz AXENGOUYIAIGHO-LBPRGKRZSA-N 1 2 334.514 3.635 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)n1 ZINC000886691305 1138116422 /nfs/dbraw/zinc/11/64/22/1138116422.db2.gz AXENGOUYIAIGHO-LBPRGKRZSA-N 1 2 334.514 3.635 20 0 EHADLO c1ccc(COC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000078255270 1138147583 /nfs/dbraw/zinc/14/75/83/1138147583.db2.gz CLUSGVAPZADEJQ-UHFFFAOYSA-N 1 2 349.434 3.918 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910386 1138164822 /nfs/dbraw/zinc/16/48/22/1138164822.db2.gz VJDPSOUMGNLNIV-UHFFFAOYSA-N 1 2 345.874 3.604 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910386 1138164824 /nfs/dbraw/zinc/16/48/24/1138164824.db2.gz VJDPSOUMGNLNIV-UHFFFAOYSA-N 1 2 345.874 3.604 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080909150 1138164837 /nfs/dbraw/zinc/16/48/37/1138164837.db2.gz FAQLLONIUUQYMK-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080909150 1138164838 /nfs/dbraw/zinc/16/48/38/1138164838.db2.gz FAQLLONIUUQYMK-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000886969227 1138176834 /nfs/dbraw/zinc/17/68/34/1138176834.db2.gz UCECMIFLADZNCF-JQFCIGGWSA-N 1 2 339.863 3.534 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000087133421 1138188890 /nfs/dbraw/zinc/18/88/90/1138188890.db2.gz CHIZPBOSGFMPJB-QGZVFWFLSA-N 1 2 347.503 3.529 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090008003 1138208531 /nfs/dbraw/zinc/20/85/31/1138208531.db2.gz POIUGODTJOSPTC-FQEVSTJZSA-N 1 2 336.435 3.550 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090008003 1138208533 /nfs/dbraw/zinc/20/85/33/1138208533.db2.gz POIUGODTJOSPTC-FQEVSTJZSA-N 1 2 336.435 3.550 20 0 EHADLO c1sc([C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1C1CCOCC1 ZINC000092196999 1138225679 /nfs/dbraw/zinc/22/56/79/1138225679.db2.gz VZJGWIHXOYUXCR-GOSISDBHSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1C1CCOCC1 ZINC000092196999 1138225681 /nfs/dbraw/zinc/22/56/81/1138225681.db2.gz VZJGWIHXOYUXCR-GOSISDBHSA-N 1 2 344.480 3.611 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000092590942 1138229893 /nfs/dbraw/zinc/22/98/93/1138229893.db2.gz OUSOFLBZIJYQLA-UHFFFAOYSA-N 1 2 341.846 3.565 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)Cc1cnccn1 ZINC000092590942 1138229895 /nfs/dbraw/zinc/22/98/95/1138229895.db2.gz OUSOFLBZIJYQLA-UHFFFAOYSA-N 1 2 341.846 3.565 20 0 EHADLO CC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1c(F)cccc1F ZINC000092935678 1138232806 /nfs/dbraw/zinc/23/28/06/1138232806.db2.gz DKAKKKJCWYBNEV-UHFFFAOYSA-N 1 2 342.393 3.782 20 0 EHADLO CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)Cc1c(F)cccc1F ZINC000092935678 1138232809 /nfs/dbraw/zinc/23/28/09/1138232809.db2.gz DKAKKKJCWYBNEV-UHFFFAOYSA-N 1 2 342.393 3.782 20 0 EHADLO COCc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)o1 ZINC000093015384 1138233550 /nfs/dbraw/zinc/23/35/50/1138233550.db2.gz ZXCDSTQIKBSMKK-UHFFFAOYSA-N 1 2 327.380 3.927 20 0 EHADLO COCc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)o1 ZINC000093015384 1138233553 /nfs/dbraw/zinc/23/35/53/1138233553.db2.gz ZXCDSTQIKBSMKK-UHFFFAOYSA-N 1 2 327.380 3.927 20 0 EHADLO CCOc1c(Cl)cc(-c2cc(Cn3cc[nH+]c3)on2)cc1OC ZINC000887268961 1138251830 /nfs/dbraw/zinc/25/18/30/1138251830.db2.gz ZJEXQUVJUNCLGZ-UHFFFAOYSA-N 1 2 333.775 3.647 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1Cl ZINC000122420171 1138257927 /nfs/dbraw/zinc/25/79/27/1138257927.db2.gz FNRNKQPLMPMARN-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1Cl ZINC000122420171 1138257928 /nfs/dbraw/zinc/25/79/28/1138257928.db2.gz FNRNKQPLMPMARN-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000122808025 1138262067 /nfs/dbraw/zinc/26/20/67/1138262067.db2.gz VZPSMTBWFPUNLY-KBXCAEBGSA-N 1 2 345.512 3.994 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123572268 1138271735 /nfs/dbraw/zinc/27/17/35/1138271735.db2.gz CUFXUGUVYGTPJJ-WMZOPIPTSA-N 1 2 325.456 3.661 20 0 EHADLO CCN1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000348418391 1138290303 /nfs/dbraw/zinc/29/03/03/1138290303.db2.gz XGPVVYDZGHGFHF-WBMJQRKESA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000348418391 1138290305 /nfs/dbraw/zinc/29/03/05/1138290305.db2.gz XGPVVYDZGHGFHF-WBMJQRKESA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000348418389 1138290609 /nfs/dbraw/zinc/29/06/09/1138290609.db2.gz XGPVVYDZGHGFHF-LRDDRELGSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000348418389 1138290612 /nfs/dbraw/zinc/29/06/12/1138290612.db2.gz XGPVVYDZGHGFHF-LRDDRELGSA-N 1 2 336.842 3.642 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125007124 1138299373 /nfs/dbraw/zinc/29/93/73/1138299373.db2.gz KHWFSVVDSMEGNG-IAQYHMDHSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125607335 1138312747 /nfs/dbraw/zinc/31/27/47/1138312747.db2.gz KSQBEEFMVJDXGT-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125607335 1138312749 /nfs/dbraw/zinc/31/27/49/1138312749.db2.gz KSQBEEFMVJDXGT-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1CCCCC1 ZINC000126241788 1138326993 /nfs/dbraw/zinc/32/69/93/1138326993.db2.gz AHSASTJTVFRQMR-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263658397 1138337604 /nfs/dbraw/zinc/33/76/04/1138337604.db2.gz DCYPRMKGPYLUAB-UZLBHIALSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263658397 1138337607 /nfs/dbraw/zinc/33/76/07/1138337607.db2.gz DCYPRMKGPYLUAB-UZLBHIALSA-N 1 2 338.451 3.568 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000333914069 1138346997 /nfs/dbraw/zinc/34/69/97/1138346997.db2.gz YMGKRAYKHBLGHW-NVXWUHKLSA-N 1 2 330.476 3.612 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127130017 1138347446 /nfs/dbraw/zinc/34/74/46/1138347446.db2.gz RTJPLOFAKVOEKM-LRDDRELGSA-N 1 2 332.835 3.960 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000263731218 1138351756 /nfs/dbraw/zinc/35/17/56/1138351756.db2.gz PZHUFBXMUCVZEH-OAQYLSRUSA-N 1 2 347.462 3.677 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000263731218 1138351759 /nfs/dbraw/zinc/35/17/59/1138351759.db2.gz PZHUFBXMUCVZEH-OAQYLSRUSA-N 1 2 347.462 3.677 20 0 EHADLO CN(CCC1CCCCC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000263794548 1138367718 /nfs/dbraw/zinc/36/77/18/1138367718.db2.gz KSXGKGHDUVLHRV-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO Brc1cccc2c1OCCC[C@H]2[NH2+]Cc1nccs1 ZINC000128159600 1138381938 /nfs/dbraw/zinc/38/19/38/1138381938.db2.gz SGGNKPNHOKJLBG-GFCCVEGCSA-N 1 2 339.258 3.909 20 0 EHADLO CC(C)c1ccc(OCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263910534 1138391095 /nfs/dbraw/zinc/39/10/95/1138391095.db2.gz BYJUOMOSQUCKKV-KRWDZBQOSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263951235 1138396709 /nfs/dbraw/zinc/39/67/09/1138396709.db2.gz LKLSVDDUWIFIDW-INIZCTEOSA-N 1 2 340.471 3.585 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263966159 1138399186 /nfs/dbraw/zinc/39/91/86/1138399186.db2.gz UFXIBSBHNJWALV-GOSISDBHSA-N 1 2 340.471 3.710 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1nccn1CC(F)(F)F ZINC000264050004 1138411411 /nfs/dbraw/zinc/41/14/11/1138411411.db2.gz HQWFNXTVKPRKGY-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1nccn1CC(F)(F)F ZINC000264050004 1138411413 /nfs/dbraw/zinc/41/14/13/1138411413.db2.gz HQWFNXTVKPRKGY-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC2(C)C)C[C@@H](C)O1 ZINC000264064415 1138413234 /nfs/dbraw/zinc/41/32/34/1138413234.db2.gz YANJDNHODBXAGH-HZPDHXFCSA-N 1 2 345.487 3.702 20 0 EHADLO CSCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129704409 1138418381 /nfs/dbraw/zinc/41/83/81/1138418381.db2.gz QEYGEETYGLIEGQ-YOEHRIQHSA-N 1 2 344.484 3.861 20 0 EHADLO CCCOc1cccc2c(NCc3ncnn3C(C)(C)C)cc[nH+]c12 ZINC000336933746 1138430370 /nfs/dbraw/zinc/43/03/70/1138430370.db2.gz RPLHZKMOBONDIA-UHFFFAOYSA-N 1 2 339.443 3.982 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)NCCCn1cc[nH+]c1 ZINC000130395814 1138452335 /nfs/dbraw/zinc/45/23/35/1138452335.db2.gz MRTJPGWAPRLSMM-UHFFFAOYSA-N 1 2 333.844 3.500 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337104519 1138466602 /nfs/dbraw/zinc/46/66/02/1138466602.db2.gz AJJWZBKLRSMKJU-GOSISDBHSA-N 1 2 337.448 3.874 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337129542 1138473777 /nfs/dbraw/zinc/47/37/77/1138473777.db2.gz IXQOCUCUCYEXSA-IKGGRYGDSA-N 1 2 329.488 3.752 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)o1 ZINC000130750366 1138473908 /nfs/dbraw/zinc/47/39/08/1138473908.db2.gz SEHBDRGFBQNDTL-INIZCTEOSA-N 1 2 339.395 3.813 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)o1 ZINC000130750366 1138473910 /nfs/dbraw/zinc/47/39/10/1138473910.db2.gz SEHBDRGFBQNDTL-INIZCTEOSA-N 1 2 339.395 3.813 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000337137147 1138476062 /nfs/dbraw/zinc/47/60/62/1138476062.db2.gz FDVRZORCYZANFJ-UHFFFAOYSA-N 1 2 341.361 3.876 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337139264 1138476889 /nfs/dbraw/zinc/47/68/89/1138476889.db2.gz RSHCPMQEHLUBNR-IRXDYDNUSA-N 1 2 331.504 3.998 20 0 EHADLO CC(C)n1nccc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000337166674 1138483813 /nfs/dbraw/zinc/48/38/13/1138483813.db2.gz ZYEZVTIXISIRNR-FQEVSTJZSA-N 1 2 348.450 3.934 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000131000470 1138489121 /nfs/dbraw/zinc/48/91/21/1138489121.db2.gz POKQEFMAUSJFEY-NVXWUHKLSA-N 1 2 330.472 3.592 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000131768864 1138540385 /nfs/dbraw/zinc/54/03/85/1138540385.db2.gz MYZKLTZYYAKUEH-ZACQAIPSSA-N 1 2 345.487 3.560 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)NCCCCNc1cccc[nH+]1 ZINC000264537087 1138550965 /nfs/dbraw/zinc/55/09/65/1138550965.db2.gz JXFDVJQCYDIYRU-UHFFFAOYSA-N 1 2 331.847 3.676 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337473616 1138579320 /nfs/dbraw/zinc/57/93/20/1138579320.db2.gz WYRGBCUYLWPUKU-AWEZNQCLSA-N 1 2 339.370 3.829 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)c2)c1C ZINC000337631159 1138627154 /nfs/dbraw/zinc/62/71/54/1138627154.db2.gz OQDMSXZBKIUDBN-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)c2)c1C ZINC000337631159 1138627157 /nfs/dbraw/zinc/62/71/57/1138627157.db2.gz OQDMSXZBKIUDBN-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2ccc(F)cc2F)CCCC1 ZINC000337879906 1138689190 /nfs/dbraw/zinc/68/91/90/1138689190.db2.gz TXEHSBQGCQWLJT-UHFFFAOYSA-N 1 2 343.381 3.565 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000337977710 1138715145 /nfs/dbraw/zinc/71/51/45/1138715145.db2.gz KYULSSRONWFABG-MLGOLLRUSA-N 1 2 333.407 3.816 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000337977710 1138715150 /nfs/dbraw/zinc/71/51/50/1138715150.db2.gz KYULSSRONWFABG-MLGOLLRUSA-N 1 2 333.407 3.816 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)s1 ZINC000338038282 1138731039 /nfs/dbraw/zinc/73/10/39/1138731039.db2.gz CMWGPJOZHYMCEY-UHFFFAOYSA-N 1 2 332.454 3.659 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265281836 1138794530 /nfs/dbraw/zinc/79/45/30/1138794530.db2.gz RQZYRZZZFHLVJT-CRAIPNDOSA-N 1 2 325.456 3.946 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCCc2sccc21 ZINC000136619623 1138805668 /nfs/dbraw/zinc/80/56/68/1138805668.db2.gz LHLWGFAQNRXUSP-OAHLLOKOSA-N 1 2 344.484 3.712 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1 ZINC000338280268 1138813813 /nfs/dbraw/zinc/81/38/13/1138813813.db2.gz LYJYFBIWQYQBLJ-NEPJUHHUSA-N 1 2 337.514 3.997 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1Cl ZINC000338382305 1138874910 /nfs/dbraw/zinc/87/49/10/1138874910.db2.gz DCCOIFCSPWRBKS-UHFFFAOYSA-N 1 2 330.859 3.821 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1Cl ZINC000338382305 1138874920 /nfs/dbraw/zinc/87/49/20/1138874920.db2.gz DCCOIFCSPWRBKS-UHFFFAOYSA-N 1 2 330.859 3.821 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000338380978 1138875881 /nfs/dbraw/zinc/87/58/81/1138875881.db2.gz RLKACRDBVMDXBD-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(C)=C(c4ccco4)C3)ccc2[nH+]1 ZINC000338387091 1138878910 /nfs/dbraw/zinc/87/89/10/1138878910.db2.gz JMFZHXAYSCFIFI-UHFFFAOYSA-N 1 2 336.395 3.947 20 0 EHADLO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000338393183 1138885030 /nfs/dbraw/zinc/88/50/30/1138885030.db2.gz ZBNMCIOBZAPZNW-UHFFFAOYSA-N 1 2 348.418 3.536 20 0 EHADLO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000338393183 1138885038 /nfs/dbraw/zinc/88/50/38/1138885038.db2.gz ZBNMCIOBZAPZNW-UHFFFAOYSA-N 1 2 348.418 3.536 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3cc(C)cc(C)c3)CCC2)n1 ZINC000265487655 1138923743 /nfs/dbraw/zinc/92/37/43/1138923743.db2.gz MHAAPXJQTNZOIH-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338462487 1138927154 /nfs/dbraw/zinc/92/71/54/1138927154.db2.gz QBRYORKEIMEGMO-GDBMZVCRSA-N 1 2 344.434 3.637 20 0 EHADLO Cc1cccc(C)c1CN(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000887957885 1138992154 /nfs/dbraw/zinc/99/21/54/1138992154.db2.gz RFRSEEIFYVJPDR-OAHLLOKOSA-N 1 2 339.361 3.652 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000152630488 1139101684 /nfs/dbraw/zinc/10/16/84/1139101684.db2.gz JEVXSRLMHIDNLO-RHSMWYFYSA-N 1 2 340.427 3.591 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000153649431 1139145366 /nfs/dbraw/zinc/14/53/66/1139145366.db2.gz LEMXVFSFQGLOKQ-KVSKMBFKSA-N 1 2 340.471 3.854 20 0 EHADLO C[C@]12CCCC[C@H]1CN2C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889541783 1139228141 /nfs/dbraw/zinc/22/81/41/1139228141.db2.gz UKXAECVJKBMOIO-BOSXTWCSSA-N 1 2 342.487 3.779 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC12CCCC2 ZINC000889542732 1139228424 /nfs/dbraw/zinc/22/84/24/1139228424.db2.gz DKUJMYSOGCLHJV-WKILWMFISA-N 1 2 328.460 3.533 20 0 EHADLO CCN(CC1CCC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889549241 1139230338 /nfs/dbraw/zinc/23/03/38/1139230338.db2.gz TWJJNWHVALIKAF-QAQDUYKDSA-N 1 2 330.476 3.636 20 0 EHADLO Cc1[nH]c(CNC(=O)COc2ccc(Cl)c3ccccc23)[nH+]c1C ZINC001137260652 1139304160 /nfs/dbraw/zinc/30/41/60/1139304160.db2.gz HUZJXNGRLKMFPI-UHFFFAOYSA-N 1 2 343.814 3.528 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc[nH+]1 ZINC000173688518 1139371864 /nfs/dbraw/zinc/37/18/64/1139371864.db2.gz MLKFWWNXZLYYOK-UHFFFAOYSA-N 1 2 325.412 3.935 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013118 1139394116 /nfs/dbraw/zinc/39/41/16/1139394116.db2.gz JWMJIKXIBAPSLY-NEPJUHHUSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013118 1139394122 /nfs/dbraw/zinc/39/41/22/1139394122.db2.gz JWMJIKXIBAPSLY-NEPJUHHUSA-N 1 2 343.452 3.865 20 0 EHADLO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3ccccc3Cl)CCCC2)no1 ZINC000174243791 1139409126 /nfs/dbraw/zinc/40/91/26/1139409126.db2.gz CIBAXZDEKYUIGX-OAHLLOKOSA-N 1 2 349.862 3.939 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000175053162 1139460070 /nfs/dbraw/zinc/46/00/70/1139460070.db2.gz HTLDQJJURHERQF-WMLDXEAASA-N 1 2 345.443 3.903 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000175053162 1139460075 /nfs/dbraw/zinc/46/00/75/1139460075.db2.gz HTLDQJJURHERQF-WMLDXEAASA-N 1 2 345.443 3.903 20 0 EHADLO C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)O1 ZINC000175814525 1139520103 /nfs/dbraw/zinc/52/01/03/1139520103.db2.gz KPQBCQWMNQJRGJ-OCCSQVGLSA-N 1 2 333.819 3.812 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)o1 ZINC000176125754 1139541262 /nfs/dbraw/zinc/54/12/62/1139541262.db2.gz NQSOZCJIWHQMIS-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)o1 ZINC000176125754 1139541266 /nfs/dbraw/zinc/54/12/66/1139541266.db2.gz NQSOZCJIWHQMIS-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N(CC1CC1)C1CCCCC1 ZINC000177769526 1139639429 /nfs/dbraw/zinc/63/94/29/1139639429.db2.gz XCKHPAWAZJWFDB-UHFFFAOYSA-N 1 2 326.444 3.589 20 0 EHADLO CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177792280 1139641902 /nfs/dbraw/zinc/64/19/02/1139641902.db2.gz VOFZZROKJHUWHL-IBGZPJMESA-N 1 2 336.439 3.873 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1OC ZINC000178061950 1139667859 /nfs/dbraw/zinc/66/78/59/1139667859.db2.gz UUWJKKNYFLMCBY-CYBMUJFWSA-N 1 2 343.402 3.650 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000178507794 1139700060 /nfs/dbraw/zinc/70/00/60/1139700060.db2.gz TUPUCTAMMYBXLZ-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000178507794 1139700066 /nfs/dbraw/zinc/70/00/66/1139700066.db2.gz TUPUCTAMMYBXLZ-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1 ZINC000179526166 1139763001 /nfs/dbraw/zinc/76/30/01/1139763001.db2.gz KDDQLGJNSYOGPU-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000180119826 1139810766 /nfs/dbraw/zinc/81/07/66/1139810766.db2.gz ZHPFWXZUQAYDDL-QGZVFWFLSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180263750 1139821733 /nfs/dbraw/zinc/82/17/33/1139821733.db2.gz RVSWRFCZPKNSLS-IRXDYDNUSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180263750 1139821738 /nfs/dbraw/zinc/82/17/38/1139821738.db2.gz RVSWRFCZPKNSLS-IRXDYDNUSA-N 1 2 335.444 3.520 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180403029 1139832105 /nfs/dbraw/zinc/83/21/05/1139832105.db2.gz CCCARKYINBJCTK-UHFFFAOYSA-N 1 2 345.752 3.718 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181232031 1139894944 /nfs/dbraw/zinc/89/49/44/1139894944.db2.gz UPFOHTVMDYHQOB-GOEBONIOSA-N 1 2 329.444 3.625 20 0 EHADLO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3cccnc3)nc(N)c2c1C ZINC000181668250 1139923557 /nfs/dbraw/zinc/92/35/57/1139923557.db2.gz QERUEUOGXGQULK-MNOVXSKESA-N 1 2 327.457 3.697 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000182397997 1139969708 /nfs/dbraw/zinc/96/97/08/1139969708.db2.gz FWFOUDPEFBLMOJ-CZUORRHYSA-N 1 2 347.846 3.659 20 0 EHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000182488352 1139975248 /nfs/dbraw/zinc/97/52/48/1139975248.db2.gz RTMHEQIHCNTNCL-AWEZNQCLSA-N 1 2 325.412 3.882 20 0 EHADLO C[C@@H](CC(=O)Nc1cccnc1Cl)Nc1ccc([NH+](C)C)cc1 ZINC000182493551 1139975941 /nfs/dbraw/zinc/97/59/41/1139975941.db2.gz GDKMLUCWDZTAEQ-LBPRGKRZSA-N 1 2 332.835 3.630 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182644747 1139984463 /nfs/dbraw/zinc/98/44/63/1139984463.db2.gz ZBDDMPIQGAFGRG-OAHLLOKOSA-N 1 2 347.422 3.876 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000183093558 1140013106 /nfs/dbraw/zinc/01/31/06/1140013106.db2.gz GKBWVEGKHCZLMM-LBPRGKRZSA-N 1 2 326.366 3.804 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000183343781 1140031126 /nfs/dbraw/zinc/03/11/26/1140031126.db2.gz NXPTXKNFHGVDJA-WDEREUQCSA-N 1 2 345.834 3.844 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C(F)F)cc1)C[C@H]2O ZINC000183926041 1140066337 /nfs/dbraw/zinc/06/63/37/1140066337.db2.gz OLZSHRBUZUDBIE-OAHLLOKOSA-N 1 2 349.377 3.691 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@H]2O ZINC000183926041 1140066342 /nfs/dbraw/zinc/06/63/42/1140066342.db2.gz OLZSHRBUZUDBIE-OAHLLOKOSA-N 1 2 349.377 3.691 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184194554 1140086651 /nfs/dbraw/zinc/08/66/51/1140086651.db2.gz FFIULTDOAQXAOY-QGZVFWFLSA-N 1 2 330.428 3.530 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)cs1 ZINC000184678555 1140114530 /nfs/dbraw/zinc/11/45/30/1140114530.db2.gz GXWXPOVRAZSERK-SECBINFHSA-N 1 2 347.469 3.721 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)o1 ZINC000184826768 1140121515 /nfs/dbraw/zinc/12/15/15/1140121515.db2.gz MNHZTAFYVYSQAQ-DYVFJYSZSA-N 1 2 348.418 3.594 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)o1 ZINC000184859181 1140123363 /nfs/dbraw/zinc/12/33/63/1140123363.db2.gz RHMQHDVEVRKJGK-MAUKXSAKSA-N 1 2 344.455 3.763 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883731 1140124222 /nfs/dbraw/zinc/12/42/22/1140124222.db2.gz CEWVPCMOQLDUML-DOTOQJQBSA-N 1 2 341.455 3.783 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1Br ZINC000186539824 1140209353 /nfs/dbraw/zinc/20/93/53/1140209353.db2.gz DGFCGJIZVWISAV-HZMBPMFUSA-N 1 2 342.208 3.956 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH+]2CCC(c3ccsc3)CC2)cs1 ZINC000186937702 1140229167 /nfs/dbraw/zinc/22/91/67/1140229167.db2.gz BPSJKUHSDMSNCF-UHFFFAOYSA-N 1 2 349.525 3.957 20 0 EHADLO c1csc([C@@H]2CSCC[N@H+]2CCCOCc2ccccc2)n1 ZINC000187039116 1140233743 /nfs/dbraw/zinc/23/37/43/1140233743.db2.gz MVYWCXLXNUICJG-INIZCTEOSA-N 1 2 334.510 3.840 20 0 EHADLO c1csc([C@@H]2CSCC[N@@H+]2CCCOCc2ccccc2)n1 ZINC000187039116 1140233746 /nfs/dbraw/zinc/23/37/46/1140233746.db2.gz MVYWCXLXNUICJG-INIZCTEOSA-N 1 2 334.510 3.840 20 0 EHADLO CN1C(=O)CCc2cc(CNc3c[nH+]ccc3OC(C)(C)C)ccc21 ZINC000187337181 1140250700 /nfs/dbraw/zinc/25/07/00/1140250700.db2.gz LSXOJTVNWDLXBM-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188760318 1140307301 /nfs/dbraw/zinc/30/73/01/1140307301.db2.gz FBKWMHGZDGDSTD-KDOFPFPSSA-N 1 2 339.439 3.640 20 0 EHADLO COCCC1(CNc2cc(CSCCO)cc[nH+]2)CCCCC1 ZINC000189374402 1140339540 /nfs/dbraw/zinc/33/95/40/1140339540.db2.gz HNUNYTTUEPGAOZ-UHFFFAOYSA-N 1 2 338.517 3.706 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000189502222 1140347729 /nfs/dbraw/zinc/34/77/29/1140347729.db2.gz STQBZPFMHGMDGM-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO CCCOc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1OCCC ZINC000189865483 1140368430 /nfs/dbraw/zinc/36/84/30/1140368430.db2.gz QIOJJPFZBCLYSS-UHFFFAOYSA-N 1 2 345.443 3.569 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCOc3c(F)cccc32)nc2cc(Cl)ccc21 ZINC000191121152 1140437223 /nfs/dbraw/zinc/43/72/23/1140437223.db2.gz BUAXZGNFZFKSDW-AWEZNQCLSA-N 1 2 345.805 3.979 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(F)c(SC)c1 ZINC000192252180 1140515099 /nfs/dbraw/zinc/51/50/99/1140515099.db2.gz HDQGRCYYFIMNMW-UHFFFAOYSA-N 1 2 349.475 3.859 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2ccccc2n1 ZINC000192253993 1140515584 /nfs/dbraw/zinc/51/55/84/1140515584.db2.gz ZQBVPDOZPJCSPN-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(Cc2ccccc2)CC1 ZINC000192254652 1140515675 /nfs/dbraw/zinc/51/56/75/1140515675.db2.gz BZQRTCNGJRKNHC-UHFFFAOYSA-N 1 2 339.483 3.707 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000192254554 1140515725 /nfs/dbraw/zinc/51/57/25/1140515725.db2.gz KLHJYMXGZRHPJQ-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(F)cc1F ZINC000192261593 1140516184 /nfs/dbraw/zinc/51/61/84/1140516184.db2.gz JFTSOJJFNVZWKX-UHFFFAOYSA-N 1 2 349.425 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ncc(C(C)C)s2)c1C ZINC000192390072 1140527669 /nfs/dbraw/zinc/52/76/69/1140527669.db2.gz SWGABZCMTVOOLB-UHFFFAOYSA-N 1 2 348.472 3.951 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000192473777 1140534362 /nfs/dbraw/zinc/53/43/62/1140534362.db2.gz GRKNRULZRCXWCB-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192463439 1140534376 /nfs/dbraw/zinc/53/43/76/1140534376.db2.gz RMUITHDYSUBXOS-UHFFFAOYSA-N 1 2 349.837 3.616 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000193495546 1140577802 /nfs/dbraw/zinc/57/78/02/1140577802.db2.gz ZTHSTULKHPOMOT-SFHVURJKSA-N 1 2 342.393 3.650 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000193513778 1140578416 /nfs/dbraw/zinc/57/84/16/1140578416.db2.gz RBKMYDRXYKPDFI-OAHLLOKOSA-N 1 2 336.867 3.837 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194129152 1140598736 /nfs/dbraw/zinc/59/87/36/1140598736.db2.gz BRABFAZLNIILSZ-FUHWJXTLSA-N 1 2 329.488 3.503 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000266478206 1140692263 /nfs/dbraw/zinc/69/22/63/1140692263.db2.gz HRPSKQCVFZLJLM-HOTGVXAUSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@@H](O)CC[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266565685 1140703397 /nfs/dbraw/zinc/70/33/97/1140703397.db2.gz ZMRZHKLIVPCTCF-GFCCVEGCSA-N 1 2 340.876 3.578 20 0 EHADLO C[C@@H](O)CC[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266565685 1140703405 /nfs/dbraw/zinc/70/34/05/1140703405.db2.gz ZMRZHKLIVPCTCF-GFCCVEGCSA-N 1 2 340.876 3.578 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000266957582 1140743054 /nfs/dbraw/zinc/74/30/54/1140743054.db2.gz WRLSVORISWZFGV-FQEVSTJZSA-N 1 2 334.467 3.997 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000266957582 1140743060 /nfs/dbraw/zinc/74/30/60/1140743060.db2.gz WRLSVORISWZFGV-FQEVSTJZSA-N 1 2 334.467 3.997 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000267131136 1140760893 /nfs/dbraw/zinc/76/08/93/1140760893.db2.gz DIQLWKQMGAMWBW-FOIQADDNSA-N 1 2 325.431 3.587 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)cc12 ZINC000267312791 1140777314 /nfs/dbraw/zinc/77/73/14/1140777314.db2.gz DVLIQNBIVPSUHG-KRWDZBQOSA-N 1 2 326.831 3.877 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)cc12 ZINC000267312791 1140777318 /nfs/dbraw/zinc/77/73/18/1140777318.db2.gz DVLIQNBIVPSUHG-KRWDZBQOSA-N 1 2 326.831 3.877 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267412611 1140788495 /nfs/dbraw/zinc/78/84/95/1140788495.db2.gz AKVAXTRKZWOIKM-UHFFFAOYSA-N 1 2 335.411 3.612 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267420305 1140789133 /nfs/dbraw/zinc/78/91/33/1140789133.db2.gz RRXGXOGYTBPZST-ZWKOTPCHSA-N 1 2 343.496 3.726 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267526766 1140800206 /nfs/dbraw/zinc/80/02/06/1140800206.db2.gz XQFYLOHBUJVEMF-CMPLNLGQSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267526766 1140800218 /nfs/dbraw/zinc/80/02/18/1140800218.db2.gz XQFYLOHBUJVEMF-CMPLNLGQSA-N 1 2 345.896 3.532 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2nc3ccccc3n2C)nc(C2CC2)[nH+]1 ZINC000267892356 1140847681 /nfs/dbraw/zinc/84/76/81/1140847681.db2.gz UUPJBKIBBWDTGV-KRWDZBQOSA-N 1 2 333.439 3.891 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268026207 1140869608 /nfs/dbraw/zinc/86/96/08/1140869608.db2.gz KXHWICXEQVZBPF-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268026207 1140869620 /nfs/dbraw/zinc/86/96/20/1140869620.db2.gz KXHWICXEQVZBPF-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268026210 1140870323 /nfs/dbraw/zinc/87/03/23/1140870323.db2.gz KXHWICXEQVZBPF-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268026210 1140870336 /nfs/dbraw/zinc/87/03/36/1140870336.db2.gz KXHWICXEQVZBPF-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268352224 1140924788 /nfs/dbraw/zinc/92/47/88/1140924788.db2.gz RGQFKLWQZLGMJS-NJAFHUGGSA-N 1 2 326.444 3.627 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000269044283 1141054009 /nfs/dbraw/zinc/05/40/09/1141054009.db2.gz HEMVCBIQBOHOFW-CYBMUJFWSA-N 1 2 335.473 3.920 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000269097947 1141064400 /nfs/dbraw/zinc/06/44/00/1141064400.db2.gz SKUQJLIVCOMVEM-CYBMUJFWSA-N 1 2 344.484 3.639 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000269136367 1141070862 /nfs/dbraw/zinc/07/08/62/1141070862.db2.gz RSTNWJNZACINHV-WMLDXEAASA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000269136367 1141070870 /nfs/dbraw/zinc/07/08/70/1141070870.db2.gz RSTNWJNZACINHV-WMLDXEAASA-N 1 2 329.396 3.509 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000269451770 1141111071 /nfs/dbraw/zinc/11/10/71/1141111071.db2.gz WAVVQEIYCJSKBB-VIFPVBQESA-N 1 2 328.384 3.912 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3cccs3)n2C)c1 ZINC000270095869 1141178747 /nfs/dbraw/zinc/17/87/47/1141178747.db2.gz APVPJUFNURVXGW-UHFFFAOYSA-N 1 2 332.454 3.548 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)c1cn[nH]c1 ZINC000270155225 1141186069 /nfs/dbraw/zinc/18/60/69/1141186069.db2.gz DSDYKSMXGDSGTN-LLVKDONJSA-N 1 2 348.859 3.949 20 0 EHADLO CC(C)n1nccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270405346 1141218695 /nfs/dbraw/zinc/21/86/95/1141218695.db2.gz CXJJJHNQOFNBEL-UHFFFAOYSA-N 1 2 347.422 3.632 20 0 EHADLO CS[C@H](C)CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270471988 1141228408 /nfs/dbraw/zinc/22/84/08/1141228408.db2.gz NJIVOXNEZQTIIZ-CYBMUJFWSA-N 1 2 327.453 3.682 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)oc1C1CC1 ZINC000270666844 1141253040 /nfs/dbraw/zinc/25/30/40/1141253040.db2.gz WNWLXUHJNSMUJO-OAHLLOKOSA-N 1 2 326.396 3.660 20 0 EHADLO c1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)oc1C1CC1 ZINC000270666844 1141253047 /nfs/dbraw/zinc/25/30/47/1141253047.db2.gz WNWLXUHJNSMUJO-OAHLLOKOSA-N 1 2 326.396 3.660 20 0 EHADLO CCOc1cc(C[NH2+][C@H](C)c2cscn2)ccc1OC(F)F ZINC000271143813 1141313837 /nfs/dbraw/zinc/31/38/37/1141313837.db2.gz OXHUCXVCHCAQIN-SNVBAGLBSA-N 1 2 328.384 3.994 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000271200309 1141323244 /nfs/dbraw/zinc/32/32/44/1141323244.db2.gz PJASADMKUHAZGG-UHFFFAOYSA-N 1 2 343.448 3.777 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000271200309 1141323248 /nfs/dbraw/zinc/32/32/48/1141323248.db2.gz PJASADMKUHAZGG-UHFFFAOYSA-N 1 2 343.448 3.777 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c2ccccc12 ZINC000271215581 1141327329 /nfs/dbraw/zinc/32/73/29/1141327329.db2.gz NAXJOOHWGMZNNU-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)c2ccccc12 ZINC000271215581 1141327336 /nfs/dbraw/zinc/32/73/36/1141327336.db2.gz NAXJOOHWGMZNNU-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271325513 1141345481 /nfs/dbraw/zinc/34/54/81/1141345481.db2.gz PVIVVCPXUNYEFY-LJQANCHMSA-N 1 2 334.423 3.737 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)[nH]1 ZINC000271462883 1141373762 /nfs/dbraw/zinc/37/37/62/1141373762.db2.gz HQXXBXUOQRPUQR-RKDXNWHRSA-N 1 2 341.228 3.681 20 0 EHADLO CCc1nc2c(s1)[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)CCC2 ZINC000271485314 1141379270 /nfs/dbraw/zinc/37/92/70/1141379270.db2.gz NZCCELJQLWMGSQ-OCCSQVGLSA-N 1 2 338.423 3.684 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(Cl)cc3)CCC2)n1 ZINC000274092018 1141473714 /nfs/dbraw/zinc/47/37/14/1141473714.db2.gz UCFBEITYPPSXRE-UHFFFAOYSA-N 1 2 335.860 3.712 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH]c(-c3ccccc3)n1)CCO2 ZINC000274234907 1141488381 /nfs/dbraw/zinc/48/83/81/1141488381.db2.gz FYRPRNNHCHEWLU-SFHVURJKSA-N 1 2 335.407 3.699 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OCC ZINC000339115515 1141501516 /nfs/dbraw/zinc/50/15/16/1141501516.db2.gz CLTJAFNRMPWYFN-UHFFFAOYSA-N 1 2 339.395 3.692 20 0 EHADLO CN(CC1CCCC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000339121655 1141503066 /nfs/dbraw/zinc/50/30/66/1141503066.db2.gz WHDKVFJAZNBNKJ-UHFFFAOYSA-N 1 2 336.505 3.783 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000339176646 1141518758 /nfs/dbraw/zinc/51/87/58/1141518758.db2.gz JPVASZXLRSVEBJ-UHFFFAOYSA-N 1 2 349.482 3.818 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1nc(C2CCC2)cs1 ZINC000283078098 1141549168 /nfs/dbraw/zinc/54/91/68/1141549168.db2.gz UJSPHOMOSCKDIN-UHFFFAOYSA-N 1 2 345.472 3.819 20 0 EHADLO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000348560967 1141551988 /nfs/dbraw/zinc/55/19/88/1141551988.db2.gz WMFXENVFNMWSOX-JBEBIEQOSA-N 1 2 347.484 3.576 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842155 1141594116 /nfs/dbraw/zinc/59/41/16/1141594116.db2.gz DVQTVAMSYODXDF-LXVYMNJGSA-N 1 2 342.405 3.619 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842155 1141594118 /nfs/dbraw/zinc/59/41/18/1141594118.db2.gz DVQTVAMSYODXDF-LXVYMNJGSA-N 1 2 342.405 3.619 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000038039129 202092677 /nfs/dbraw/zinc/09/26/77/202092677.db2.gz IJEGSDUYRDCRMH-UHFFFAOYSA-N 1 2 346.203 3.821 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000043436176 201100424 /nfs/dbraw/zinc/10/04/24/201100424.db2.gz HCBPCQLSTZWNJD-UHFFFAOYSA-N 1 2 332.407 3.666 20 0 EHADLO CSc1ccc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000096730141 201378724 /nfs/dbraw/zinc/37/87/24/201378724.db2.gz IZILTNSLEWSPNN-UHFFFAOYSA-N 1 2 339.464 3.887 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)oc1C ZINC000097476163 201385545 /nfs/dbraw/zinc/38/55/45/201385545.db2.gz PHZLKAOCTBIIBB-KRWDZBQOSA-N 1 2 349.814 3.602 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)oc1C ZINC000097476163 201385547 /nfs/dbraw/zinc/38/55/47/201385547.db2.gz PHZLKAOCTBIIBB-KRWDZBQOSA-N 1 2 349.814 3.602 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)o1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556197 598831888 /nfs/dbraw/zinc/83/18/88/598831888.db2.gz OHLPOVANWWPHJT-ZDUSSCGKSA-N 1 2 340.431 3.561 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)o1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556197 598831889 /nfs/dbraw/zinc/83/18/89/598831889.db2.gz OHLPOVANWWPHJT-ZDUSSCGKSA-N 1 2 340.431 3.561 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431145 599389943 /nfs/dbraw/zinc/38/99/43/599389943.db2.gz BGKHNFUAFIOOBZ-QMMMGPOBSA-N 1 2 338.198 3.617 20 0 EHADLO c1cc([C@@H]2CCCN2c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cs1 ZINC000823792601 606456473 /nfs/dbraw/zinc/45/64/73/606456473.db2.gz ZEAXEVLQYDWIMX-INIZCTEOSA-N 1 2 348.435 3.818 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cccc1-c1nn[nH]n1 ZINC000826371236 608401954 /nfs/dbraw/zinc/40/19/54/608401954.db2.gz XSKSWJYOKMHENO-HNNXBMFYSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cccc1-c1nn[nH]n1 ZINC000826371236 608401956 /nfs/dbraw/zinc/40/19/56/608401956.db2.gz XSKSWJYOKMHENO-HNNXBMFYSA-N 1 2 343.793 3.606 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000459395292 1032058603 /nfs/dbraw/zinc/05/86/03/1032058603.db2.gz PAOGLMBPCQFIJK-CQSZACIVSA-N 1 2 349.406 3.653 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C1CC1 ZINC000339289891 1014166830 /nfs/dbraw/zinc/16/68/30/1014166830.db2.gz JJTLJKXEOHTPKY-UHFFFAOYSA-N 1 2 332.488 3.553 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1CC1 ZINC000339289891 1014166834 /nfs/dbraw/zinc/16/68/34/1014166834.db2.gz JJTLJKXEOHTPKY-UHFFFAOYSA-N 1 2 332.488 3.553 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000547629108 1014447226 /nfs/dbraw/zinc/44/72/26/1014447226.db2.gz ULMOZSVJLKVKMZ-LJQANCHMSA-N 1 2 340.471 3.773 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CCS1 ZINC000536668302 1032092996 /nfs/dbraw/zinc/09/29/96/1032092996.db2.gz RXFBWWMUAFFAMN-VIFPVBQESA-N 1 2 336.320 3.847 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CCS1 ZINC000536668302 1032093013 /nfs/dbraw/zinc/09/30/13/1032093013.db2.gz RXFBWWMUAFFAMN-VIFPVBQESA-N 1 2 336.320 3.847 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C(F)(F)F)o1 ZINC000274682644 1014530894 /nfs/dbraw/zinc/53/08/94/1014530894.db2.gz RSAIKGQUEZBYKL-ZWNOBZJWSA-N 1 2 341.333 3.527 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339473552 1014541463 /nfs/dbraw/zinc/54/14/63/1014541463.db2.gz LAJXWDGSMOOKAG-WBVHZDCISA-N 1 2 343.496 3.553 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339476441 1014550099 /nfs/dbraw/zinc/55/00/99/1014550099.db2.gz FNANQJKHJHQUES-DOTOQJQBSA-N 1 2 345.874 3.829 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC3(CCOCc4ccccc4)CC3)ccn12 ZINC000654970575 1014698963 /nfs/dbraw/zinc/69/89/63/1014698963.db2.gz YUMXPLWDAWWWDR-UHFFFAOYSA-N 1 2 349.434 3.512 20 0 EHADLO CC(C)[NH+]1CC(NC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000655052874 1014883815 /nfs/dbraw/zinc/88/38/15/1014883815.db2.gz TZKZVUZACSIVCB-UHFFFAOYSA-N 1 2 326.824 3.516 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547667261 1014884303 /nfs/dbraw/zinc/88/43/03/1014884303.db2.gz CCROZHKRKCLWJU-INIZCTEOSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@@H](c3cccc(F)c3)CC2=O)s1 ZINC000728196655 1014943933 /nfs/dbraw/zinc/94/39/33/1014943933.db2.gz OLMZWVOYOVQUKI-HNNXBMFYSA-N 1 2 332.444 3.601 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@@H](c3cccc(F)c3)CC2=O)s1 ZINC000728196655 1014943943 /nfs/dbraw/zinc/94/39/43/1014943943.db2.gz OLMZWVOYOVQUKI-HNNXBMFYSA-N 1 2 332.444 3.601 20 0 EHADLO CC(C)Oc1nn(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)s1 ZINC000065944275 1015006285 /nfs/dbraw/zinc/00/62/85/1015006285.db2.gz AFRHAPKEFCPQEM-VTXSZYRJSA-N 1 2 339.530 3.929 20 0 EHADLO CC(C)Oc1nn(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)s1 ZINC000065944275 1015006294 /nfs/dbraw/zinc/00/62/94/1015006294.db2.gz AFRHAPKEFCPQEM-VTXSZYRJSA-N 1 2 339.530 3.929 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H]3CCCn4nccc43)n2)ccc1F ZINC000634582577 1015035540 /nfs/dbraw/zinc/03/55/40/1015035540.db2.gz WMPRLFACKAPTEL-DOMZBBRYSA-N 1 2 341.390 3.566 20 0 EHADLO CC(C)(C)c1ccc(OCCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000045162224 1015054855 /nfs/dbraw/zinc/05/48/55/1015054855.db2.gz ZHVBDWYYZVNWBD-UHFFFAOYSA-N 1 2 343.471 3.546 20 0 EHADLO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000023991285 1015185995 /nfs/dbraw/zinc/18/59/95/1015185995.db2.gz VZJQPSBUXNROMA-ZDUSSCGKSA-N 1 2 339.277 3.961 20 0 EHADLO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000023991285 1015186000 /nfs/dbraw/zinc/18/60/00/1015186000.db2.gz VZJQPSBUXNROMA-ZDUSSCGKSA-N 1 2 339.277 3.961 20 0 EHADLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000024053615 1015221285 /nfs/dbraw/zinc/22/12/85/1015221285.db2.gz GFBVRQVIWFORLB-LBPRGKRZSA-N 1 2 342.830 3.861 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC000655341232 1015372717 /nfs/dbraw/zinc/37/27/17/1015372717.db2.gz PCHOMVKYHMKWNY-ZDUSSCGKSA-N 1 2 333.407 3.791 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC000655341232 1015372730 /nfs/dbraw/zinc/37/27/30/1015372730.db2.gz PCHOMVKYHMKWNY-ZDUSSCGKSA-N 1 2 333.407 3.791 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000748083456 1015382248 /nfs/dbraw/zinc/38/22/48/1015382248.db2.gz NWMROVMZLJCFPI-AWEZNQCLSA-N 1 2 336.530 3.798 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000748083456 1015382258 /nfs/dbraw/zinc/38/22/58/1015382258.db2.gz NWMROVMZLJCFPI-AWEZNQCLSA-N 1 2 336.530 3.798 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825150 1015707070 /nfs/dbraw/zinc/70/70/70/1015707070.db2.gz MORYHIZACAAGES-LLVKDONJSA-N 1 2 346.780 3.539 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825150 1015707076 /nfs/dbraw/zinc/70/70/76/1015707076.db2.gz MORYHIZACAAGES-LLVKDONJSA-N 1 2 346.780 3.539 20 0 EHADLO CCC[N@H+](Cc1cc(OC)cc(C)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000339826950 1015708353 /nfs/dbraw/zinc/70/83/53/1015708353.db2.gz MBBICHIRMPVAOP-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)cc(C)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000339826950 1015708360 /nfs/dbraw/zinc/70/83/60/1015708360.db2.gz MBBICHIRMPVAOP-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094599 1015738438 /nfs/dbraw/zinc/73/84/38/1015738438.db2.gz VYQZRCWDOSBIKJ-SFHVURJKSA-N 1 2 347.842 3.955 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094599 1015738430 /nfs/dbraw/zinc/73/84/30/1015738430.db2.gz VYQZRCWDOSBIKJ-SFHVURJKSA-N 1 2 347.842 3.955 20 0 EHADLO Cc1nc2ccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2o1 ZINC000079310195 1015962525 /nfs/dbraw/zinc/96/25/25/1015962525.db2.gz QGLKPOBHGKXLAM-INIZCTEOSA-N 1 2 341.415 3.569 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C ZINC000584323130 1032137942 /nfs/dbraw/zinc/13/79/42/1032137942.db2.gz ZAXHMUCXZOMFFE-ZIFCJYIRSA-N 1 2 339.483 3.662 20 0 EHADLO C[NH+](C)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000047460399 1016081821 /nfs/dbraw/zinc/08/18/21/1016081821.db2.gz DVZFTXWOOIFDBF-UHFFFAOYSA-N 1 2 338.386 3.530 20 0 EHADLO Cc1csc(C2([NH2+][C@H](C)C(=O)c3c[nH]c4ncccc34)CCC2)n1 ZINC000275134398 1016087344 /nfs/dbraw/zinc/08/73/44/1016087344.db2.gz CHESEJBBBBATRA-GFCCVEGCSA-N 1 2 340.452 3.568 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1nc(C)c3ccccc3n1)C2 ZINC000533537510 1016093225 /nfs/dbraw/zinc/09/32/25/1016093225.db2.gz OXQIOVJKAHVQET-UHFFFAOYSA-N 1 2 333.435 3.895 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1nc(C)c3ccccc3n1)C2 ZINC000533537510 1016093235 /nfs/dbraw/zinc/09/32/35/1016093235.db2.gz OXQIOVJKAHVQET-UHFFFAOYSA-N 1 2 333.435 3.895 20 0 EHADLO CC(C)C1(C)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000275215774 1016158129 /nfs/dbraw/zinc/15/81/29/1016158129.db2.gz GLGGAUXDNISXRI-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1ccc(SC[C@@H](C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000545329806 1016376367 /nfs/dbraw/zinc/37/63/67/1016376367.db2.gz QKBGYZUPARYHGN-OAHLLOKOSA-N 1 2 329.469 3.731 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)OCCCn1cc[nH+]c1 ZINC000782870189 1016385096 /nfs/dbraw/zinc/38/50/96/1016385096.db2.gz JBUCTJCTDZDYSN-LLVKDONJSA-N 1 2 343.210 3.591 20 0 EHADLO COc1cccc(-c2csc(C[NH2+]Cc3c(C)noc3C)n2)c1 ZINC000892674053 1016386881 /nfs/dbraw/zinc/38/68/81/1016386881.db2.gz KYWQVUXKDCHIBU-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cncs1 ZINC000340135601 1016408334 /nfs/dbraw/zinc/40/83/34/1016408334.db2.gz LEWJIOYBMWMQGC-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cncs1 ZINC000340135601 1016408344 /nfs/dbraw/zinc/40/83/44/1016408344.db2.gz LEWJIOYBMWMQGC-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO CCc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cnn1-c1ccccc1C ZINC000647644571 1016513389 /nfs/dbraw/zinc/51/33/89/1016513389.db2.gz FPRWJKDSJHOMJK-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO S=C(NCc1cccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782890925 1016555628 /nfs/dbraw/zinc/55/56/28/1016555628.db2.gz PQYODOGXTYGPML-UHFFFAOYSA-N 1 2 348.541 3.512 20 0 EHADLO CN(C)c1ncc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000376578422 1016572521 /nfs/dbraw/zinc/57/25/21/1016572521.db2.gz BQOKUSDJKWUTRZ-UHFFFAOYSA-N 1 2 344.409 3.500 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCn2ccc3ccccc32)c2nnc[nH]2)cc1 ZINC000340177283 1016593754 /nfs/dbraw/zinc/59/37/54/1016593754.db2.gz DRGMBWHTXWLDHA-IBGZPJMESA-N 1 2 349.413 3.668 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185683 1016644261 /nfs/dbraw/zinc/64/42/61/1016644261.db2.gz OVXAOJYZPXYPDF-DYESRHJHSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185683 1016644273 /nfs/dbraw/zinc/64/42/73/1016644273.db2.gz OVXAOJYZPXYPDF-DYESRHJHSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@]([NH2+]Cc1ccccc1Oc1ccccc1)(C(N)=O)c1ccccc1 ZINC000178527148 1016713821 /nfs/dbraw/zinc/71/38/21/1016713821.db2.gz WUQLLZIPBUIZFP-JOCHJYFZSA-N 1 2 346.430 3.969 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1Cl)Cc1ccccc1 ZINC001167248240 1016759407 /nfs/dbraw/zinc/75/94/07/1016759407.db2.gz KFNJQADPWZCTOB-UHFFFAOYSA-N 1 2 331.843 3.948 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1Cl)Cc1ccccc1 ZINC001167248240 1016759418 /nfs/dbraw/zinc/75/94/18/1016759418.db2.gz KFNJQADPWZCTOB-UHFFFAOYSA-N 1 2 331.843 3.948 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000178725432 1016761021 /nfs/dbraw/zinc/76/10/21/1016761021.db2.gz OOMUUHWRLYDFFO-JTQLQIEISA-N 1 2 347.415 3.796 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000178725432 1016761040 /nfs/dbraw/zinc/76/10/40/1016761040.db2.gz OOMUUHWRLYDFFO-JTQLQIEISA-N 1 2 347.415 3.796 20 0 EHADLO c1cnn(-c2ccc(C[N@@H+]3CCc4c5ccccc5[nH]c4C3)cc2)c1 ZINC000340236167 1016753358 /nfs/dbraw/zinc/75/33/58/1016753358.db2.gz QVQGPUHNGUHVPF-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO c1cnn(-c2ccc(C[N@H+]3CCc4c5ccccc5[nH]c4C3)cc2)c1 ZINC000340236167 1016753368 /nfs/dbraw/zinc/75/33/68/1016753368.db2.gz QVQGPUHNGUHVPF-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000706001228 1016837125 /nfs/dbraw/zinc/83/71/25/1016837125.db2.gz PBWJFIAKWYBOEG-BLLLJJGKSA-N 1 2 343.814 3.995 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000782960900 1016869630 /nfs/dbraw/zinc/86/96/30/1016869630.db2.gz VIQPPZRMGMEKDP-KRWDZBQOSA-N 1 2 345.443 3.807 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cn1 ZINC000890794801 1016884078 /nfs/dbraw/zinc/88/40/78/1016884078.db2.gz XCAXJMLMCYPLPY-CYBMUJFWSA-N 1 2 340.349 3.708 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC(C)C ZINC000121168535 1016900716 /nfs/dbraw/zinc/90/07/16/1016900716.db2.gz WQNWWPLJJFCMBC-QGZVFWFLSA-N 1 2 343.471 3.833 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC(C)C ZINC000121168535 1016900723 /nfs/dbraw/zinc/90/07/23/1016900723.db2.gz WQNWWPLJJFCMBC-QGZVFWFLSA-N 1 2 343.471 3.833 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000155420206 1016925603 /nfs/dbraw/zinc/92/56/03/1016925603.db2.gz LFVIGZVHPXQCRQ-MRXNPFEDSA-N 1 2 333.476 3.518 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC(C2CCC2)C1 ZINC000376639142 1016946584 /nfs/dbraw/zinc/94/65/84/1016946584.db2.gz IPZRZVBTNFTHTP-UHFFFAOYSA-N 1 2 348.450 3.866 20 0 EHADLO CSc1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340374727 1017064606 /nfs/dbraw/zinc/06/46/06/1017064606.db2.gz BJXNLOVDAUIWMI-QGZVFWFLSA-N 1 2 342.443 3.587 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668415192 1032166651 /nfs/dbraw/zinc/16/66/51/1032166651.db2.gz UYFMHOLYDXPWEJ-INIZCTEOSA-N 1 2 341.455 3.550 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cnn1C ZINC000183409263 1032169075 /nfs/dbraw/zinc/16/90/75/1032169075.db2.gz HNGZEBTYLNUFAV-KGLIPLIRSA-N 1 2 339.443 3.807 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)cnn1C ZINC000183431446 1032170745 /nfs/dbraw/zinc/17/07/45/1032170745.db2.gz DKQPUZJKKJSZQB-SNVBAGLBSA-N 1 2 332.354 3.513 20 0 EHADLO COc1cncc(/C=C/CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000645925616 1032192066 /nfs/dbraw/zinc/19/20/66/1032192066.db2.gz GKVDKUAZEZZKJH-ZFDYTMOGSA-N 1 2 342.414 3.706 20 0 EHADLO COc1cncc(/C=C/CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000645925616 1032192074 /nfs/dbraw/zinc/19/20/74/1032192074.db2.gz GKVDKUAZEZZKJH-ZFDYTMOGSA-N 1 2 342.414 3.706 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[NH+](C/C=C(/C)Cl)CC2)cs1 ZINC000528387061 1032207917 /nfs/dbraw/zinc/20/79/17/1032207917.db2.gz CUUDLJLEODTVDQ-MECSIWFOSA-N 1 2 343.924 3.501 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000459494834 1032216778 /nfs/dbraw/zinc/21/67/78/1032216778.db2.gz BUPCHGXAKCGJQY-AWEZNQCLSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000459494834 1032216789 /nfs/dbraw/zinc/21/67/89/1032216789.db2.gz BUPCHGXAKCGJQY-AWEZNQCLSA-N 1 2 340.652 3.746 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000536745307 1032226026 /nfs/dbraw/zinc/22/60/26/1032226026.db2.gz OBLOOSYRNOQKNR-NWDGAFQWSA-N 1 2 325.250 3.651 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000536745307 1032226035 /nfs/dbraw/zinc/22/60/35/1032226035.db2.gz OBLOOSYRNOQKNR-NWDGAFQWSA-N 1 2 325.250 3.651 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000184021424 1032226279 /nfs/dbraw/zinc/22/62/79/1032226279.db2.gz OGEMRFHEAVULTF-UHFFFAOYSA-N 1 2 338.455 3.751 20 0 EHADLO c1c[nH+]c([C@H]2CCCN(Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000080961773 1032230104 /nfs/dbraw/zinc/23/01/04/1032230104.db2.gz AJLTYZCQILWXSK-LBPRGKRZSA-N 1 2 330.482 3.974 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000459523669 1032242220 /nfs/dbraw/zinc/24/22/20/1032242220.db2.gz JIICNRURTXWDJB-SUMWQHHRSA-N 1 2 327.827 3.557 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000459523669 1032242229 /nfs/dbraw/zinc/24/22/29/1032242229.db2.gz JIICNRURTXWDJB-SUMWQHHRSA-N 1 2 327.827 3.557 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000538258992 1032254780 /nfs/dbraw/zinc/25/47/80/1032254780.db2.gz SHSGGAYPBUOKAW-CYBMUJFWSA-N 1 2 342.414 3.612 20 0 EHADLO OCCOc1ccccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449172217 1032263706 /nfs/dbraw/zinc/26/37/06/1032263706.db2.gz VGHOQYMXYQYDLN-UHFFFAOYSA-N 1 2 332.252 3.716 20 0 EHADLO COc1cc(Br)c(C[NH+]2CC3(C2)CCCC3)cc1O ZINC000459557628 1032275677 /nfs/dbraw/zinc/27/56/77/1032275677.db2.gz HOPPWAIPIJIKOD-UHFFFAOYSA-N 1 2 326.234 3.539 20 0 EHADLO Cc1nc(C[NH2+]Cc2cccc(Br)c2F)sc1C ZINC000449165825 1032281402 /nfs/dbraw/zinc/28/14/02/1032281402.db2.gz AWQLOTGGHPYYBP-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)s1 ZINC000449191471 1032284767 /nfs/dbraw/zinc/28/47/67/1032284767.db2.gz JZRRDJMNWWKWDS-MRXNPFEDSA-N 1 2 332.469 3.608 20 0 EHADLO CCn1nnc(C)c1C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000449188657 1032285751 /nfs/dbraw/zinc/28/57/51/1032285751.db2.gz NVICULYLXYXKBW-UHFFFAOYSA-N 1 2 325.243 3.692 20 0 EHADLO Cc1ccnc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000904943610 1032301806 /nfs/dbraw/zinc/30/18/06/1032301806.db2.gz QXOHOXBDHSMZGD-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ncc(-c2ccccc2F)o1 ZINC000459595892 1032315875 /nfs/dbraw/zinc/31/58/75/1032315875.db2.gz RSVRPKXKSRULFM-UHFFFAOYSA-N 1 2 342.418 3.872 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ncc(-c2ccccc2F)o1 ZINC000459595892 1032315884 /nfs/dbraw/zinc/31/58/84/1032315884.db2.gz RSVRPKXKSRULFM-UHFFFAOYSA-N 1 2 342.418 3.872 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccoc1C(=O)OC ZINC000538425533 1032355981 /nfs/dbraw/zinc/35/59/81/1032355981.db2.gz IXJBWLRIKRTGLT-CQSZACIVSA-N 1 2 331.412 3.842 20 0 EHADLO COc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1SC ZINC000459647820 1032369360 /nfs/dbraw/zinc/36/93/60/1032369360.db2.gz GHHABTACBFOZPW-GFCCVEGCSA-N 1 2 346.456 3.552 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000528510499 1032385895 /nfs/dbraw/zinc/38/58/95/1032385895.db2.gz VDNPMSDFARBXQF-ZFWWWQNUSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000528510499 1032385906 /nfs/dbraw/zinc/38/59/06/1032385906.db2.gz VDNPMSDFARBXQF-ZFWWWQNUSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000528510485 1032387332 /nfs/dbraw/zinc/38/73/32/1032387332.db2.gz VDNPMSDFARBXQF-DZGCQCFKSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000528510485 1032387340 /nfs/dbraw/zinc/38/73/40/1032387340.db2.gz VDNPMSDFARBXQF-DZGCQCFKSA-N 1 2 326.362 3.634 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc2c(c1)CCCO2 ZINC000666132173 1032396539 /nfs/dbraw/zinc/39/65/39/1032396539.db2.gz RYEMCZDENFSQNV-ZDUSSCGKSA-N 1 2 336.395 3.542 20 0 EHADLO Cc1cc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)ccc1F ZINC000538495290 1032398378 /nfs/dbraw/zinc/39/83/78/1032398378.db2.gz VWRKGXPZIXCRDJ-FQEVSTJZSA-N 1 2 341.430 3.929 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503836 1032408562 /nfs/dbraw/zinc/40/85/62/1032408562.db2.gz LAGXUKURKHSMNA-YGRLFVJLSA-N 1 2 346.780 3.562 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503836 1032408572 /nfs/dbraw/zinc/40/85/72/1032408572.db2.gz LAGXUKURKHSMNA-YGRLFVJLSA-N 1 2 346.780 3.562 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(F)cc1 ZINC000536903599 1032417303 /nfs/dbraw/zinc/41/73/03/1032417303.db2.gz FNOVMDJDUMMZMO-INIZCTEOSA-N 1 2 328.366 3.991 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1 ZINC000536903599 1032417309 /nfs/dbraw/zinc/41/73/09/1032417309.db2.gz FNOVMDJDUMMZMO-INIZCTEOSA-N 1 2 328.366 3.991 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000102519275 1032427072 /nfs/dbraw/zinc/42/70/72/1032427072.db2.gz UQIFZBAVLWGBJO-GFCCVEGCSA-N 1 2 338.354 3.730 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000102519275 1032427078 /nfs/dbraw/zinc/42/70/78/1032427078.db2.gz UQIFZBAVLWGBJO-GFCCVEGCSA-N 1 2 338.354 3.730 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2ccnn2C2CCCC2)c(F)c1F ZINC000449293370 1032434222 /nfs/dbraw/zinc/43/42/22/1032434222.db2.gz VAUCPDXFMQGDSK-UHFFFAOYSA-N 1 2 327.325 3.844 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449332506 1032442868 /nfs/dbraw/zinc/44/28/68/1032442868.db2.gz RPKKQSCDFXVLDQ-GOSISDBHSA-N 1 2 347.480 3.682 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449332506 1032442876 /nfs/dbraw/zinc/44/28/76/1032442876.db2.gz RPKKQSCDFXVLDQ-GOSISDBHSA-N 1 2 347.480 3.682 20 0 EHADLO C/C(=C/C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000255592403 1032447132 /nfs/dbraw/zinc/44/71/32/1032447132.db2.gz LHSRLFWYOFWSDF-LCYFTJDESA-N 1 2 325.799 3.707 20 0 EHADLO CCn1nnc(C)c1C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000449316144 1032448135 /nfs/dbraw/zinc/44/81/35/1032448135.db2.gz LSVWQGVZVIEGEC-UHFFFAOYSA-N 1 2 336.842 3.811 20 0 EHADLO CCn1nnc(C)c1C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000449316144 1032448139 /nfs/dbraw/zinc/44/81/39/1032448139.db2.gz LSVWQGVZVIEGEC-UHFFFAOYSA-N 1 2 336.842 3.811 20 0 EHADLO COCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000528576453 1032455688 /nfs/dbraw/zinc/45/56/88/1032455688.db2.gz SKVQBBDIVBRMQO-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO Fc1ccc(F)c2c1OCC[C@H]2[NH2+]Cc1ccnn1C1CCCC1 ZINC000449334635 1032469475 /nfs/dbraw/zinc/46/94/75/1032469475.db2.gz GBCXFEAJGQZGHC-MRXNPFEDSA-N 1 2 333.382 3.890 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cs2)cc1OC ZINC000459785270 1032474124 /nfs/dbraw/zinc/47/41/24/1032474124.db2.gz BBNXOSPNZVAYAT-KBPBESRZSA-N 1 2 348.493 3.517 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cs2)cc1OC ZINC000459785270 1032474130 /nfs/dbraw/zinc/47/41/30/1032474130.db2.gz BBNXOSPNZVAYAT-KBPBESRZSA-N 1 2 348.493 3.517 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802180 1032480724 /nfs/dbraw/zinc/48/07/24/1032480724.db2.gz YMHVTKLBAJNMIL-CABCVRRESA-N 1 2 328.460 3.530 20 0 EHADLO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000537024458 1032490070 /nfs/dbraw/zinc/49/00/70/1032490070.db2.gz LYMAOWWGZHYEJC-NSHDSACASA-N 1 2 336.407 3.976 20 0 EHADLO C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Sc1ccccc1 ZINC000081109567 1032495135 /nfs/dbraw/zinc/49/51/35/1032495135.db2.gz NBKIGIFKNVAIIU-OAHLLOKOSA-N 1 2 337.448 3.783 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCOc4ccccc4[C@@H]3C)ccc2[nH+]1 ZINC000665950989 1032510539 /nfs/dbraw/zinc/51/05/39/1032510539.db2.gz BPBBESOSCCJJJO-AWEZNQCLSA-N 1 2 336.395 3.630 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246022554 1032530435 /nfs/dbraw/zinc/53/04/35/1032530435.db2.gz VCUDSBZWSBMUGJ-HKJPBSJPSA-N 1 2 336.842 3.607 20 0 EHADLO O=C(Nc1cncc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000089764563 1032540907 /nfs/dbraw/zinc/54/09/07/1032540907.db2.gz CLTVQOBWEUKBMT-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO OC[C@]1(F)C[N@H+](C/C=C\c2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000449431022 1032548035 /nfs/dbraw/zinc/54/80/35/1032548035.db2.gz XBKWVXGLEHJWKC-OQOPXQQBSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@]1(F)C[N@@H+](C/C=C\c2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000449431022 1032548042 /nfs/dbraw/zinc/54/80/42/1032548042.db2.gz XBKWVXGLEHJWKC-OQOPXQQBSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449418035 1032552139 /nfs/dbraw/zinc/55/21/39/1032552139.db2.gz BBLHFCLSCRVVLZ-MSOLQXFVSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449418035 1032552144 /nfs/dbraw/zinc/55/21/44/1032552144.db2.gz BBLHFCLSCRVVLZ-MSOLQXFVSA-N 1 2 337.797 3.779 20 0 EHADLO CC(C)C(=O)NC[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088598 1032570267 /nfs/dbraw/zinc/57/02/67/1032570267.db2.gz BSENICUXZPPUNF-MRXNPFEDSA-N 1 2 346.519 3.712 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000669622038 1032597330 /nfs/dbraw/zinc/59/73/30/1032597330.db2.gz CUGACFSMUDHVIO-AEFFLSMTSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1nn(CCC(C)C)c2ccccc12 ZINC000449488211 1032647714 /nfs/dbraw/zinc/64/77/14/1032647714.db2.gz DTXIDQCTJMRMLM-UHFFFAOYSA-N 1 2 326.444 3.977 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)cc1 ZINC000606368649 1032656542 /nfs/dbraw/zinc/65/65/42/1032656542.db2.gz LWQWTXPKJINNKG-OAHLLOKOSA-N 1 2 347.509 3.955 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)cc1 ZINC000606368649 1032656549 /nfs/dbraw/zinc/65/65/49/1032656549.db2.gz LWQWTXPKJINNKG-OAHLLOKOSA-N 1 2 347.509 3.955 20 0 EHADLO Cc1[nH+]ccn1CCCCNC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593061857 1032664267 /nfs/dbraw/zinc/66/42/67/1032664267.db2.gz BQHRTRVKVOAWBR-UHFFFAOYSA-N 1 2 349.519 3.996 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246049723 1032669905 /nfs/dbraw/zinc/66/99/05/1032669905.db2.gz XYPPNDPQZZALPV-YYFZDKIDSA-N 1 2 343.471 3.694 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cn2)cc1 ZINC000606431775 1032677508 /nfs/dbraw/zinc/67/75/08/1032677508.db2.gz AVOUSCGHSVMVDP-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cn2)cc1 ZINC000606431775 1032677514 /nfs/dbraw/zinc/67/75/14/1032677514.db2.gz AVOUSCGHSVMVDP-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO CCCCCN(CCCOC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376899770 1017189767 /nfs/dbraw/zinc/18/97/67/1017189767.db2.gz VSRHYJHGPVVMBT-MRXNPFEDSA-N 1 2 349.519 3.693 20 0 EHADLO CCCCCN(CCCOC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376899770 1017189773 /nfs/dbraw/zinc/18/97/73/1017189773.db2.gz VSRHYJHGPVVMBT-MRXNPFEDSA-N 1 2 349.519 3.693 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(c2ccccc2)CCCC1 ZINC000613630933 1017290920 /nfs/dbraw/zinc/29/09/20/1017290920.db2.gz NEABGWOTXPRWLV-CGTJXYLNSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc(Br)cc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377072567 1017302620 /nfs/dbraw/zinc/30/26/20/1017302620.db2.gz KAVLCKLYIIGYHN-NSHDSACASA-N 1 2 334.217 3.539 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450240 1032691691 /nfs/dbraw/zinc/69/16/91/1032691691.db2.gz SLRWAOOTWOWFDX-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450240 1032691701 /nfs/dbraw/zinc/69/17/01/1032691701.db2.gz SLRWAOOTWOWFDX-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000683564620 1017389363 /nfs/dbraw/zinc/38/93/63/1017389363.db2.gz RNJNGSCYGOSZFP-LSDHHAIUSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000683564620 1017389378 /nfs/dbraw/zinc/38/93/78/1017389378.db2.gz RNJNGSCYGOSZFP-LSDHHAIUSA-N 1 2 349.887 3.589 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCn3ccnc31)CCO2 ZINC000655701652 1017410410 /nfs/dbraw/zinc/41/04/10/1017410410.db2.gz VYMUQFOWKXDKEC-UONOGXRCSA-N 1 2 348.244 3.594 20 0 EHADLO CC(C)[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccccc2N1 ZINC000081794267 1032705461 /nfs/dbraw/zinc/70/54/61/1032705461.db2.gz ZSZDMILOLKMDLC-LJQANCHMSA-N 1 2 346.434 3.969 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCCOC(C)(C)C3)nc(=O)c2c1C ZINC000377252890 1017534924 /nfs/dbraw/zinc/53/49/24/1017534924.db2.gz BTKUUYQWZDRMDE-NSHDSACASA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+]3CCCOC(C)(C)C3)nc(=O)c2c1C ZINC000377252890 1017534932 /nfs/dbraw/zinc/53/49/32/1017534932.db2.gz BTKUUYQWZDRMDE-NSHDSACASA-N 1 2 335.473 3.576 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051948 1032706616 /nfs/dbraw/zinc/70/66/16/1032706616.db2.gz PKUDRYUMCFJISP-VXGBXAGGSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051948 1032706631 /nfs/dbraw/zinc/70/66/31/1032706631.db2.gz PKUDRYUMCFJISP-VXGBXAGGSA-N 1 2 339.361 3.827 20 0 EHADLO COc1ccc([C@@H](CCO)Nc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC000892839385 1017549452 /nfs/dbraw/zinc/54/94/52/1017549452.db2.gz LDWVLMFXBMXYKN-QGZVFWFLSA-N 1 2 327.428 3.597 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000655775084 1017568397 /nfs/dbraw/zinc/56/83/97/1017568397.db2.gz OJGIATNVPYPOKN-UHFFFAOYSA-N 1 2 336.439 3.646 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000606470393 1032711665 /nfs/dbraw/zinc/71/16/65/1032711665.db2.gz NPDZIJKBYVTTIS-UHFFFAOYSA-N 1 2 338.249 3.641 20 0 EHADLO CCc1ccc([C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C(C)C)cc1 ZINC000655793801 1017617346 /nfs/dbraw/zinc/61/73/46/1017617346.db2.gz CZPHKWURHUSXMZ-WMZOPIPTSA-N 1 2 328.460 3.706 20 0 EHADLO c1ccc(C[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc2)cc1 ZINC000655795398 1017628748 /nfs/dbraw/zinc/62/87/48/1017628748.db2.gz BCAWERFNZDQXPO-RTBURBONSA-N 1 2 348.450 3.730 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000655797177 1017635125 /nfs/dbraw/zinc/63/51/25/1017635125.db2.gz MIWXXBIEOUJQSH-MFKMUULPSA-N 1 2 340.349 3.526 20 0 EHADLO CC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)s1 ZINC000655796900 1017636860 /nfs/dbraw/zinc/63/68/60/1017636860.db2.gz KHLBJRRPMFOXGN-VHSXEESVSA-N 1 2 326.853 3.612 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)c2ccccc21 ZINC000655798098 1017639368 /nfs/dbraw/zinc/63/93/68/1017639368.db2.gz WZFSIWDTILNPSH-YVEFUNNKSA-N 1 2 340.402 3.799 20 0 EHADLO COc1c(C)cccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000655811425 1017675132 /nfs/dbraw/zinc/67/51/32/1017675132.db2.gz JNEDLYKBIIJPGK-LJQANCHMSA-N 1 2 339.414 3.755 20 0 EHADLO CC(=Cc1ccc(Cl)cc1)C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655818624 1017683960 /nfs/dbraw/zinc/68/39/60/1017683960.db2.gz MLYFXNLMSLJDCD-LMRWQKIVSA-N 1 2 332.835 3.503 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000472748181 1017698911 /nfs/dbraw/zinc/69/89/11/1017698911.db2.gz HZGCFSRHTYFKLP-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1cccc(OCC[N@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000472748181 1017698915 /nfs/dbraw/zinc/69/89/15/1017698915.db2.gz HZGCFSRHTYFKLP-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO C[C@H]1CCN(c2ccc3cc(Cl)cnc3n2)C[C@H]1n1cc[nH+]c1 ZINC000892912547 1017700904 /nfs/dbraw/zinc/70/09/04/1017700904.db2.gz VFCGPTVJVXZIOA-SWLSCSKDSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1cc(N[C@@H](CO)c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000155446276 1017718940 /nfs/dbraw/zinc/71/89/40/1017718940.db2.gz YUVXUHTZKRWIJE-AWEZNQCLSA-N 1 2 348.244 3.570 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000121363852 1017728238 /nfs/dbraw/zinc/72/82/38/1017728238.db2.gz YRXLLLICIFFVRR-UHFFFAOYSA-N 1 2 347.462 3.724 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000340423586 1017730048 /nfs/dbraw/zinc/73/00/48/1017730048.db2.gz GCRBPFYCFBRPDI-QWRGUYRKSA-N 1 2 336.233 3.660 20 0 EHADLO C[C@](CO)([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000394732825 1017775612 /nfs/dbraw/zinc/77/56/12/1017775612.db2.gz BYAYVQAFYIIUTN-MRXNPFEDSA-N 1 2 338.220 3.586 20 0 EHADLO Cc1cccc(CC2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000085459945 1017782852 /nfs/dbraw/zinc/78/28/52/1017782852.db2.gz UYPAFOJFIZSHFO-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533928404 1017804112 /nfs/dbraw/zinc/80/41/12/1017804112.db2.gz PZDKZTYUKOCTTM-INIZCTEOSA-N 1 2 349.862 3.965 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533928404 1017804135 /nfs/dbraw/zinc/80/41/35/1017804135.db2.gz PZDKZTYUKOCTTM-INIZCTEOSA-N 1 2 349.862 3.965 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3CS(C)(=O)=O)o2)cc1 ZINC000449527578 1032728550 /nfs/dbraw/zinc/72/85/50/1032728550.db2.gz JNRDDBWHOXFQEN-QGZVFWFLSA-N 1 2 347.480 3.654 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CS(C)(=O)=O)o2)cc1 ZINC000449527578 1032728564 /nfs/dbraw/zinc/72/85/64/1032728564.db2.gz JNRDDBWHOXFQEN-QGZVFWFLSA-N 1 2 347.480 3.654 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 ZINC000891024526 1017867516 /nfs/dbraw/zinc/86/75/16/1017867516.db2.gz UGVWRYNMOONVSJ-IBGZPJMESA-N 1 2 345.446 3.553 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)c(Cl)c1 ZINC000377498978 1017899147 /nfs/dbraw/zinc/89/91/47/1017899147.db2.gz YMWPBDBBZWQTNA-ZDUSSCGKSA-N 1 2 346.862 3.578 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1nc(-c2ccccc2F)ccc1=O ZINC000066792676 1017935094 /nfs/dbraw/zinc/93/50/94/1017935094.db2.gz IIFWMQFMDHBCRM-UHFFFAOYSA-N 1 2 331.435 3.765 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1nc(-c2ccccc2F)ccc1=O ZINC000066792676 1017935102 /nfs/dbraw/zinc/93/51/02/1017935102.db2.gz IIFWMQFMDHBCRM-UHFFFAOYSA-N 1 2 331.435 3.765 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792665 1017936325 /nfs/dbraw/zinc/93/63/25/1017936325.db2.gz SQNMMUMAGFLXHF-MRXNPFEDSA-N 1 2 327.472 3.799 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792665 1017936335 /nfs/dbraw/zinc/93/63/35/1017936335.db2.gz SQNMMUMAGFLXHF-MRXNPFEDSA-N 1 2 327.472 3.799 20 0 EHADLO Fc1ccc(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000377548300 1017965691 /nfs/dbraw/zinc/96/56/91/1017965691.db2.gz GIARBHBEOMTPHF-UHFFFAOYSA-N 1 2 348.443 3.707 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255062137 1017993535 /nfs/dbraw/zinc/99/35/35/1017993535.db2.gz GJUGOSFIVDSJJA-WLMCBFPDSA-N 1 2 349.356 3.606 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(C(=O)N(C)C)c1)CC3 ZINC000377584106 1018010871 /nfs/dbraw/zinc/01/08/71/1018010871.db2.gz RIEMOYXGVBCVOU-UHFFFAOYSA-N 1 2 347.462 3.736 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(C(=O)N(C)C)c1)CC3 ZINC000377584106 1018010887 /nfs/dbraw/zinc/01/08/87/1018010887.db2.gz RIEMOYXGVBCVOU-UHFFFAOYSA-N 1 2 347.462 3.736 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1N(C)C ZINC000377596662 1018033260 /nfs/dbraw/zinc/03/32/60/1018033260.db2.gz AJOOJKCIQDBHRQ-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000377596662 1018033271 /nfs/dbraw/zinc/03/32/71/1018033271.db2.gz AJOOJKCIQDBHRQ-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)NCc2c[nH+]cn2C)C2CC2)cc1 ZINC000291170593 1018045188 /nfs/dbraw/zinc/04/51/88/1018045188.db2.gz GPDMWKRBMLDILE-LJQANCHMSA-N 1 2 340.471 3.569 20 0 EHADLO Fc1cc(F)cc(C2CC([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)c1 ZINC000377612675 1018053888 /nfs/dbraw/zinc/05/38/88/1018053888.db2.gz BKFODPVZVFLWMQ-IUPXNIOVSA-N 1 2 340.377 3.708 20 0 EHADLO C[C@H](C[N@H+](C)Cn1ncn(CC(F)(F)F)c1=S)c1ccccc1 ZINC000066795395 1018075235 /nfs/dbraw/zinc/07/52/35/1018075235.db2.gz LVKBKBWBVILHIT-GFCCVEGCSA-N 1 2 344.406 3.669 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1ncn(CC(F)(F)F)c1=S)c1ccccc1 ZINC000066795395 1018075246 /nfs/dbraw/zinc/07/52/46/1018075246.db2.gz LVKBKBWBVILHIT-GFCCVEGCSA-N 1 2 344.406 3.669 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(F)c1 ZINC000246391431 1018210582 /nfs/dbraw/zinc/21/05/82/1018210582.db2.gz IWXXOVJDFNAPMR-HZPDHXFCSA-N 1 2 336.451 3.598 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c(F)c1 ZINC000246391431 1018210590 /nfs/dbraw/zinc/21/05/90/1018210590.db2.gz IWXXOVJDFNAPMR-HZPDHXFCSA-N 1 2 336.451 3.598 20 0 EHADLO CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000047515062 1018210780 /nfs/dbraw/zinc/21/07/80/1018210780.db2.gz NQTHOGAOBRJWMG-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000081292494 1018230998 /nfs/dbraw/zinc/23/09/98/1018230998.db2.gz XKIPKPFKLQDJHK-UHFFFAOYSA-N 1 2 335.407 3.954 20 0 EHADLO CC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570073 1018237057 /nfs/dbraw/zinc/23/70/57/1018237057.db2.gz YVRXPUHSAPXTQC-HRCADAONSA-N 1 2 333.476 3.558 20 0 EHADLO CC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570073 1018237070 /nfs/dbraw/zinc/23/70/70/1018237070.db2.gz YVRXPUHSAPXTQC-HRCADAONSA-N 1 2 333.476 3.558 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000460672712 1018298943 /nfs/dbraw/zinc/29/89/43/1018298943.db2.gz DOLQADSTJBSOPN-UHFFFAOYSA-N 1 2 335.386 3.619 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656051003 1018379651 /nfs/dbraw/zinc/37/96/51/1018379651.db2.gz KCXIAUPJDOFEMJ-NXHRZFHOSA-N 1 2 334.423 3.809 20 0 EHADLO Cc1nc(NC(=O)NCCCn2cc[nH+]c2)sc1-c1ccccc1 ZINC000043631870 1018456094 /nfs/dbraw/zinc/45/60/94/1018456094.db2.gz SSOOEOUUAWZNGQ-UHFFFAOYSA-N 1 2 341.440 3.527 20 0 EHADLO COc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1OC ZINC000340562382 1018476663 /nfs/dbraw/zinc/47/66/63/1018476663.db2.gz PWIIINNUWBOREK-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO CC(F)(F)CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593119742 1032772447 /nfs/dbraw/zinc/77/24/47/1032772447.db2.gz QNAGVSQNNYFFNM-UHFFFAOYSA-N 1 2 325.403 3.514 20 0 EHADLO O=C(Nc1ccccc1N1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340574250 1018559710 /nfs/dbraw/zinc/55/97/10/1018559710.db2.gz FKUQLBBIAGSTHN-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO O=C(Nc1cnc2ccccc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340583812 1018588869 /nfs/dbraw/zinc/58/88/69/1018588869.db2.gz PEINNMCPBAXBSV-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000584094531 1018673128 /nfs/dbraw/zinc/67/31/28/1018673128.db2.gz HXLSZQRBSJTPFD-CYBMUJFWSA-N 1 2 333.457 3.534 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070699 1018720248 /nfs/dbraw/zinc/72/02/48/1018720248.db2.gz QNGJKNKORSQQMP-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070699 1018720257 /nfs/dbraw/zinc/72/02/57/1018720257.db2.gz QNGJKNKORSQQMP-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2c(s1)CCCC2 ZINC000030011724 1018744884 /nfs/dbraw/zinc/74/48/84/1018744884.db2.gz RZYXKSLYDCCAGC-UHFFFAOYSA-N 1 2 341.480 3.552 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+](C)C[C@@H]3CCCO3)o2)cc1 ZINC000052103091 1018759197 /nfs/dbraw/zinc/75/91/97/1018759197.db2.gz JWWPPBWAIIUZLU-KRWDZBQOSA-N 1 2 345.443 3.526 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)C[C@@H]3CCCO3)o2)cc1 ZINC000052103091 1018759217 /nfs/dbraw/zinc/75/92/17/1018759217.db2.gz JWWPPBWAIIUZLU-KRWDZBQOSA-N 1 2 345.443 3.526 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NC1CCN(c2cccs2)CC1 ZINC000656144810 1018760679 /nfs/dbraw/zinc/76/06/79/1018760679.db2.gz HWHKUDXMDCRCNJ-UHFFFAOYSA-N 1 2 344.484 3.813 20 0 EHADLO COCC[N@H+](Cn1nc(-c2cccs2)oc1=S)C1CCCC1 ZINC000060741645 1032785256 /nfs/dbraw/zinc/78/52/56/1032785256.db2.gz ALTAEKPPCQRKNI-UHFFFAOYSA-N 1 2 339.486 3.783 20 0 EHADLO COCC[N@@H+](Cn1nc(-c2cccs2)oc1=S)C1CCCC1 ZINC000060741645 1032785271 /nfs/dbraw/zinc/78/52/71/1032785271.db2.gz ALTAEKPPCQRKNI-UHFFFAOYSA-N 1 2 339.486 3.783 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210644 1018766039 /nfs/dbraw/zinc/76/60/39/1018766039.db2.gz VPPLPWSECTYZBV-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210644 1018766052 /nfs/dbraw/zinc/76/60/52/1018766052.db2.gz VPPLPWSECTYZBV-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660388 1032785498 /nfs/dbraw/zinc/78/54/98/1032785498.db2.gz GEEHDLHTKMDREY-LPHOPBHVSA-N 1 2 329.488 3.612 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000052163971 1018771881 /nfs/dbraw/zinc/77/18/81/1018771881.db2.gz XYPBUXDTJDQCHF-KRWDZBQOSA-N 1 2 340.467 3.737 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000052163971 1018771893 /nfs/dbraw/zinc/77/18/93/1018771893.db2.gz XYPBUXDTJDQCHF-KRWDZBQOSA-N 1 2 340.467 3.737 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000683848193 1018876414 /nfs/dbraw/zinc/87/64/14/1018876414.db2.gz DJXKIDUUROKVAR-QGZVFWFLSA-N 1 2 347.821 3.946 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000683848193 1018876430 /nfs/dbraw/zinc/87/64/30/1018876430.db2.gz DJXKIDUUROKVAR-QGZVFWFLSA-N 1 2 347.821 3.946 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419361024 1018881732 /nfs/dbraw/zinc/88/17/32/1018881732.db2.gz AMVBEFBWGKEMQR-HNNXBMFYSA-N 1 2 338.904 3.804 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419361024 1018881744 /nfs/dbraw/zinc/88/17/44/1018881744.db2.gz AMVBEFBWGKEMQR-HNNXBMFYSA-N 1 2 338.904 3.804 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1F ZINC000580268881 1018895427 /nfs/dbraw/zinc/89/54/27/1018895427.db2.gz VVPHKENOLSBLKR-FQEVSTJZSA-N 1 2 329.415 3.972 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1F ZINC000580268881 1018895442 /nfs/dbraw/zinc/89/54/42/1018895442.db2.gz VVPHKENOLSBLKR-FQEVSTJZSA-N 1 2 329.415 3.972 20 0 EHADLO CC(=O)c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cs1 ZINC000340619429 1018899869 /nfs/dbraw/zinc/89/98/69/1018899869.db2.gz XPQKGFQKTYSGNH-UHFFFAOYSA-N 1 2 336.376 3.853 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)NCc2nc(C[NH+](C)C)cs2)CC(C)(C)C1 ZINC000927770100 1019016707 /nfs/dbraw/zinc/01/67/07/1019016707.db2.gz QLFNQMHPRUNPFB-KBPBESRZSA-N 1 2 337.533 3.673 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000025545302 1019051332 /nfs/dbraw/zinc/05/13/32/1019051332.db2.gz JOGXJPUALJMJMD-GFCCVEGCSA-N 1 2 325.250 3.508 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340643104 1019059140 /nfs/dbraw/zinc/05/91/40/1019059140.db2.gz UGUZPGDPXAYUJF-FVQBIDKESA-N 1 2 329.831 3.573 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000119291507 1032804996 /nfs/dbraw/zinc/80/49/96/1032804996.db2.gz UEGQGQVYVWDFMB-JKSUJKDBSA-N 1 2 343.446 3.534 20 0 EHADLO CCc1cc(N2CC3(CCOCC3)[C@@H]2c2ccccc2)nc(CC)[nH+]1 ZINC000894203992 1019135883 /nfs/dbraw/zinc/13/58/83/1019135883.db2.gz JJNXJOUDZKLWQZ-FQEVSTJZSA-N 1 2 337.467 3.960 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)cc1 ZINC000528779508 1032810516 /nfs/dbraw/zinc/81/05/16/1032810516.db2.gz AKZCBXGSTVPLCN-SAHWJRBASA-N 1 2 346.521 3.604 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)cc1 ZINC000528779508 1032810532 /nfs/dbraw/zinc/81/05/32/1032810532.db2.gz AKZCBXGSTVPLCN-SAHWJRBASA-N 1 2 346.521 3.604 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1sccc1C ZINC000052661792 1019173612 /nfs/dbraw/zinc/17/36/12/1019173612.db2.gz NAFSEXLRBHAQTI-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1sccc1C ZINC000052661792 1019173622 /nfs/dbraw/zinc/17/36/22/1019173622.db2.gz NAFSEXLRBHAQTI-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1nc(-c2cccs2)no1 ZINC000052711282 1019198576 /nfs/dbraw/zinc/19/85/76/1019198576.db2.gz CHZPFGAGBDRMAC-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nc(-c2cccs2)no1 ZINC000052711282 1019198586 /nfs/dbraw/zinc/19/85/86/1019198586.db2.gz CHZPFGAGBDRMAC-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO CC[C@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000255497902 1019254088 /nfs/dbraw/zinc/25/40/88/1019254088.db2.gz MQEAOKBASANDLX-SBSDFTTDSA-N 1 2 338.436 3.610 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(F)cc2Cl)c1C ZINC000051583525 1019258005 /nfs/dbraw/zinc/25/80/05/1019258005.db2.gz YEYMLASYQIXXEX-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)n(C(C)(C)C)n1 ZINC000052804771 1019270154 /nfs/dbraw/zinc/27/01/54/1019270154.db2.gz MQGLTKJKKSASQC-OAHLLOKOSA-N 1 2 346.500 3.784 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)n(C(C)(C)C)n1 ZINC000052804771 1019270164 /nfs/dbraw/zinc/27/01/64/1019270164.db2.gz MQGLTKJKKSASQC-OAHLLOKOSA-N 1 2 346.500 3.784 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(Cl)c3cccnc23)CC[S@@]1=O ZINC000449571271 1032824677 /nfs/dbraw/zinc/82/46/77/1032824677.db2.gz JMWCUYGWDFMFIW-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[S@@]1=O ZINC000449571271 1032824687 /nfs/dbraw/zinc/82/46/87/1032824687.db2.gz JMWCUYGWDFMFIW-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO C[C@@H]1[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C[C@H]1c1ccccc1 ZINC000471576520 1019345971 /nfs/dbraw/zinc/34/59/71/1019345971.db2.gz DDLLVAOGBGSHEC-KFKAGJAMSA-N 1 2 348.450 3.666 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000449568302 1032823439 /nfs/dbraw/zinc/82/34/39/1032823439.db2.gz ARLCAAWOLCWRNN-TVQRCGJNSA-N 1 2 326.227 3.994 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)cc1 ZINC000580454240 1019390487 /nfs/dbraw/zinc/39/04/87/1019390487.db2.gz YFJKIZXKPRAEFS-UHFFFAOYSA-N 1 2 337.423 3.534 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000255544959 1019423627 /nfs/dbraw/zinc/42/36/27/1019423627.db2.gz DMAHGIMWTBDZTD-VREOIGRCSA-N 1 2 339.439 3.722 20 0 EHADLO O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000145224720 1019440529 /nfs/dbraw/zinc/44/05/29/1019440529.db2.gz XCVPYNOXPHLBRJ-UHFFFAOYSA-N 1 2 349.409 3.880 20 0 EHADLO CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433628901 1019466897 /nfs/dbraw/zinc/46/68/97/1019466897.db2.gz PYXHXZQLDXOFCW-MSOLQXFVSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433628901 1019466905 /nfs/dbraw/zinc/46/69/05/1019466905.db2.gz PYXHXZQLDXOFCW-MSOLQXFVSA-N 1 2 340.471 3.781 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000433735445 1019561346 /nfs/dbraw/zinc/56/13/46/1019561346.db2.gz ARIRFMIVOMTONR-ZDUSSCGKSA-N 1 2 337.345 3.595 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)NC(C)C)cc3C)c[nH+]c12 ZINC000340711146 1019569897 /nfs/dbraw/zinc/56/98/97/1019569897.db2.gz MTTQLNOFUMAWCQ-UHFFFAOYSA-N 1 2 336.439 3.701 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(Br)c2C)c[nH+]1 ZINC000397026554 1032839791 /nfs/dbraw/zinc/83/97/91/1032839791.db2.gz NGCNVWZPAFZFMH-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO c1nc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)sc1C1OCCO1 ZINC000289695049 1019576459 /nfs/dbraw/zinc/57/64/59/1019576459.db2.gz NGVJIHOQZJQQDY-OAHLLOKOSA-N 1 2 330.453 3.916 20 0 EHADLO c1nc(C[N@H+]2CCCC[C@@H]2c2ccccc2)sc1C1OCCO1 ZINC000289695049 1019576479 /nfs/dbraw/zinc/57/64/79/1019576479.db2.gz NGVJIHOQZJQQDY-OAHLLOKOSA-N 1 2 330.453 3.916 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3ccc(CC)cc3)C2)s1 ZINC000513380343 1019583166 /nfs/dbraw/zinc/58/31/66/1019583166.db2.gz GDTRXVJYAIHMDX-MRXNPFEDSA-N 1 2 331.485 3.879 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3ccc(CC)cc3)C2)s1 ZINC000513380343 1019583172 /nfs/dbraw/zinc/58/31/72/1019583172.db2.gz GDTRXVJYAIHMDX-MRXNPFEDSA-N 1 2 331.485 3.879 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C(C)(C)C)nc(C(C)C)n1)CCC2 ZINC000433762777 1019590552 /nfs/dbraw/zinc/59/05/52/1019590552.db2.gz AUXIFAUAFMTWEW-HNNXBMFYSA-N 1 2 341.503 3.814 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000433765201 1019593347 /nfs/dbraw/zinc/59/33/47/1019593347.db2.gz GXFCJDAMHWSCTJ-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO CC(C)N(C)c1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433773250 1019610720 /nfs/dbraw/zinc/61/07/20/1019610720.db2.gz FSAFUMYJHWDNQJ-UHFFFAOYSA-N 1 2 325.460 3.534 20 0 EHADLO CC(C)N(C)c1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433773250 1019610728 /nfs/dbraw/zinc/61/07/28/1019610728.db2.gz FSAFUMYJHWDNQJ-UHFFFAOYSA-N 1 2 325.460 3.534 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCCOc2cccc3cccnc32)[nH+]1 ZINC000433805680 1019632352 /nfs/dbraw/zinc/63/23/52/1019632352.db2.gz XBKSUJIQHKCCQV-UHFFFAOYSA-N 1 2 333.395 3.647 20 0 EHADLO COc1ccc2nc(C[NH2+][C@H](c3ccccc3F)[C@@H](C)O)sc2c1 ZINC000580558605 1019642665 /nfs/dbraw/zinc/64/26/65/1019642665.db2.gz GJQRXVRWPBZICG-ZMZPIMSZSA-N 1 2 346.427 3.656 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@@]12C[C@@H]1CCCC2 ZINC001207120436 1019716692 /nfs/dbraw/zinc/71/66/92/1019716692.db2.gz VCXRLMHPHRFPTQ-ZIBATOQPSA-N 1 2 325.250 3.608 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000153648829 1019861832 /nfs/dbraw/zinc/86/18/32/1019861832.db2.gz UWYMKSIQHWTQPA-SJLPKXTDSA-N 1 2 339.439 3.622 20 0 EHADLO O=C(NC1CCC2(CC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000433999617 1019867139 /nfs/dbraw/zinc/86/71/39/1019867139.db2.gz QGXQWFCZLGYVKK-SFHVURJKSA-N 1 2 344.524 3.616 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000513640755 1019898731 /nfs/dbraw/zinc/89/87/31/1019898731.db2.gz ROWPLWZWKBOBCX-OKZBNKHCSA-N 1 2 346.519 3.702 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000513640755 1019898746 /nfs/dbraw/zinc/89/87/46/1019898746.db2.gz ROWPLWZWKBOBCX-OKZBNKHCSA-N 1 2 346.519 3.702 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)s1 ZINC000656278992 1019902411 /nfs/dbraw/zinc/90/24/11/1019902411.db2.gz NVRYERBOSYBHAG-CQSZACIVSA-N 1 2 327.515 3.696 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)s1 ZINC000656278992 1019902425 /nfs/dbraw/zinc/90/24/25/1019902425.db2.gz NVRYERBOSYBHAG-CQSZACIVSA-N 1 2 327.515 3.696 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000129987733 1019923022 /nfs/dbraw/zinc/92/30/22/1019923022.db2.gz WJOFXWRNYYBBIT-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)[nH]2)cc1 ZINC000471616206 1019967150 /nfs/dbraw/zinc/96/71/50/1019967150.db2.gz ANJIUXQMFHBULI-OALUTQOASA-N 1 2 348.450 3.810 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000280011612 1019968397 /nfs/dbraw/zinc/96/83/97/1019968397.db2.gz WFQHRXOKDVDNBF-FPTDNZKUSA-N 1 2 336.526 3.650 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C)c(Cl)c3F)[nH+]c12 ZINC000684053078 1020010826 /nfs/dbraw/zinc/01/08/26/1020010826.db2.gz SPGHMYHKXFVQIO-UHFFFAOYSA-N 1 2 345.805 3.716 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000291871357 1020015020 /nfs/dbraw/zinc/01/50/20/1020015020.db2.gz KQOCVDFPVVEGCM-SFHVURJKSA-N 1 2 328.460 3.740 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043562 1020039587 /nfs/dbraw/zinc/03/95/87/1020039587.db2.gz BGUKDEJGWOQJGZ-CRAIPNDOSA-N 1 2 330.472 3.770 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043562 1020039599 /nfs/dbraw/zinc/03/95/99/1020039599.db2.gz BGUKDEJGWOQJGZ-CRAIPNDOSA-N 1 2 330.472 3.770 20 0 EHADLO CC(=O)Nc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)ccc1C ZINC000564622938 1020056430 /nfs/dbraw/zinc/05/64/30/1020056430.db2.gz LULLPFQYNKINEA-UHFFFAOYSA-N 1 2 348.406 3.904 20 0 EHADLO COC[C@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000606894798 1032874771 /nfs/dbraw/zinc/87/47/71/1032874771.db2.gz RWORYTKAMLCGOQ-LBPRGKRZSA-N 1 2 340.345 3.915 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000345279205 1020108546 /nfs/dbraw/zinc/10/85/46/1020108546.db2.gz NKUSVNAXVLEPSK-CQSZACIVSA-N 1 2 343.496 3.863 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccsc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528829143 1032880217 /nfs/dbraw/zinc/88/02/17/1032880217.db2.gz POWREUCJFISEAY-ZYHUDNBSSA-N 1 2 343.374 3.687 20 0 EHADLO Clc1ccccc1[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000574284755 1032881278 /nfs/dbraw/zinc/88/12/78/1032881278.db2.gz KOTXXRDHZPJRMD-FQEVSTJZSA-N 1 2 347.934 3.693 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292010384 1020181887 /nfs/dbraw/zinc/18/18/87/1020181887.db2.gz OIZBMTDDEDQHPA-JTQLQIEISA-N 1 2 341.242 3.630 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000641959504 1032882541 /nfs/dbraw/zinc/88/25/41/1032882541.db2.gz HWJGLYKVSRISMJ-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000641959504 1032882560 /nfs/dbraw/zinc/88/25/60/1032882560.db2.gz HWJGLYKVSRISMJ-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1sc2nc(C[NH+]3CCC(OC(C)(C)C)CC3)nc(N)c2c1C ZINC000093189582 1032882830 /nfs/dbraw/zinc/88/28/30/1032882830.db2.gz MGWCZDAVWQIPJS-UHFFFAOYSA-N 1 2 348.516 3.670 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C\C3CCCC3)CC2)cc1 ZINC000843558193 1020210568 /nfs/dbraw/zinc/21/05/68/1020210568.db2.gz XOURZDHUVJBXHW-GHXNOFRVSA-N 1 2 341.499 3.584 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC[C@H]1CCO1 ZINC000602453619 1032884345 /nfs/dbraw/zinc/88/43/45/1032884345.db2.gz IKYZDPGUDFOTAJ-SWLSCSKDSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[C@H]1CCO1 ZINC000602453619 1032884361 /nfs/dbraw/zinc/88/43/61/1032884361.db2.gz IKYZDPGUDFOTAJ-SWLSCSKDSA-N 1 2 346.254 3.708 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606935539 1032888386 /nfs/dbraw/zinc/88/83/86/1032888386.db2.gz VXCMNUHZKAWYHE-CQSZACIVSA-N 1 2 334.891 3.878 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606935539 1032888397 /nfs/dbraw/zinc/88/83/97/1032888397.db2.gz VXCMNUHZKAWYHE-CQSZACIVSA-N 1 2 334.891 3.878 20 0 EHADLO O=C(CC1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345478192 1020290519 /nfs/dbraw/zinc/29/05/19/1020290519.db2.gz GJVJWFVQILNDAD-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000602447742 1032894909 /nfs/dbraw/zinc/89/49/09/1032894909.db2.gz XTNRXKOULHTIOU-HKUYNNGSSA-N 1 2 338.455 3.689 20 0 EHADLO CCSc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000449599916 1032891023 /nfs/dbraw/zinc/89/10/23/1032891023.db2.gz IIMWMCQGONJXCZ-HNNXBMFYSA-N 1 2 342.455 3.534 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606896918 1032890945 /nfs/dbraw/zinc/89/09/45/1032890945.db2.gz FLWNSTVWCAOWRF-OAHLLOKOSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606896918 1032890959 /nfs/dbraw/zinc/89/09/59/1032890959.db2.gz FLWNSTVWCAOWRF-OAHLLOKOSA-N 1 2 342.870 3.711 20 0 EHADLO CCSc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000449599916 1032891038 /nfs/dbraw/zinc/89/10/38/1032891038.db2.gz IIMWMCQGONJXCZ-HNNXBMFYSA-N 1 2 342.455 3.534 20 0 EHADLO O=C([C@@H]1CC12CCCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345494927 1020318136 /nfs/dbraw/zinc/31/81/36/1020318136.db2.gz XCXTWQCLIHOLCB-KRWDZBQOSA-N 1 2 327.472 3.506 20 0 EHADLO O=C([C@H]1CC12CCCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345494931 1020318392 /nfs/dbraw/zinc/31/83/92/1020318392.db2.gz XCXTWQCLIHOLCB-QGZVFWFLSA-N 1 2 327.472 3.506 20 0 EHADLO F[C@H]1CCC[C@H](c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)C1 ZINC000581067422 1020397766 /nfs/dbraw/zinc/39/77/66/1020397766.db2.gz LQHWBWLYDWUZCT-HOCLYGCPSA-N 1 2 345.418 3.565 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000345630513 1020404663 /nfs/dbraw/zinc/40/46/63/1020404663.db2.gz NXVQMKPLQXCMRH-RHSMWYFYSA-N 1 2 325.456 3.906 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)c3ncccc3F)C2=O)c1 ZINC000528824423 1032900740 /nfs/dbraw/zinc/90/07/40/1032900740.db2.gz BEXHLKHBHSZFCC-BBRMVZONSA-N 1 2 345.393 3.514 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c2ccccc12)[C@@H]1CCn2c[nH+]cc2C1 ZINC001167445447 1020420255 /nfs/dbraw/zinc/42/02/55/1020420255.db2.gz XVLGGTGHBZYHTI-LLVKDONJSA-N 1 2 341.798 3.596 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000606916472 1032902086 /nfs/dbraw/zinc/90/20/86/1032902086.db2.gz UEFRJHLHXCAOLF-ZIAGYGMSSA-N 1 2 338.521 3.789 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000606916472 1032902089 /nfs/dbraw/zinc/90/20/89/1032902089.db2.gz UEFRJHLHXCAOLF-ZIAGYGMSSA-N 1 2 338.521 3.789 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768291 1032907005 /nfs/dbraw/zinc/90/70/05/1032907005.db2.gz IHLXNJHXUXXYEG-AWEZNQCLSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768291 1032907019 /nfs/dbraw/zinc/90/70/19/1032907019.db2.gz IHLXNJHXUXXYEG-AWEZNQCLSA-N 1 2 331.466 3.773 20 0 EHADLO Cc1ncsc1C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000093866388 1032914535 /nfs/dbraw/zinc/91/45/35/1032914535.db2.gz XWYBOIKEOQQAIM-UHFFFAOYSA-N 1 2 325.840 3.566 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345956412 1020630373 /nfs/dbraw/zinc/63/03/73/1020630373.db2.gz BHHGFYNAMOQSCM-JFIYKMOQSA-N 1 2 343.496 3.721 20 0 EHADLO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2ncc[nH]2)cc1 ZINC000067693722 1020651220 /nfs/dbraw/zinc/65/12/20/1020651220.db2.gz GMFPMAKHXVZYGZ-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2sc(Cl)nc2C(F)(F)F)c[nH+]1 ZINC000891369616 1020677889 /nfs/dbraw/zinc/67/78/89/1020677889.db2.gz DSSPFGZDSKRTOI-UHFFFAOYSA-N 1 2 349.765 3.757 20 0 EHADLO c1c2ccccc2n2c1CN(c1cc(NCC3CC3)[nH+]cn1)CCC2 ZINC000340975334 1020722376 /nfs/dbraw/zinc/72/23/76/1020722376.db2.gz SXFNJSAOFMMREN-UHFFFAOYSA-N 1 2 333.439 3.664 20 0 EHADLO c1c2ccccc2n2c1CN(c1cc(NCC3CC3)nc[nH+]1)CCC2 ZINC000340975334 1020722386 /nfs/dbraw/zinc/72/23/86/1020722386.db2.gz SXFNJSAOFMMREN-UHFFFAOYSA-N 1 2 333.439 3.664 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nc(C)c3ccccc3n2)C2CC2)cn1 ZINC000528848099 1032927186 /nfs/dbraw/zinc/92/71/86/1032927186.db2.gz AGPLLNBWHIDISE-HXUWFJFHSA-N 1 2 334.423 3.583 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(F)c(C(F)(F)F)cc1F)C2 ZINC000933255260 1020828480 /nfs/dbraw/zinc/82/84/80/1020828480.db2.gz HMHPJARODPRPLK-UHFFFAOYSA-N 1 2 345.315 3.758 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccccc1Oc1cccnc1)C2 ZINC000933259938 1020831507 /nfs/dbraw/zinc/83/15/07/1020831507.db2.gz VHAPJQSKOBQHEQ-UHFFFAOYSA-N 1 2 334.423 3.649 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOc2cc(C)cc(C)c2)c1 ZINC000510421720 1020869924 /nfs/dbraw/zinc/86/99/24/1020869924.db2.gz XZLZLOVGKZAUTC-UHFFFAOYSA-N 1 2 349.434 3.606 20 0 EHADLO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 ZINC000137229649 1032943895 /nfs/dbraw/zinc/94/38/95/1032943895.db2.gz OMHRJZUKGOJRFV-OAQYLSRUSA-N 1 2 348.446 3.812 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 ZINC000137229649 1032943899 /nfs/dbraw/zinc/94/38/99/1032943899.db2.gz OMHRJZUKGOJRFV-OAQYLSRUSA-N 1 2 348.446 3.812 20 0 EHADLO COc1cc(F)c(F)cc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC001143394926 1021041068 /nfs/dbraw/zinc/04/10/68/1021041068.db2.gz VZFFIYXIPNKHCT-UHFFFAOYSA-N 1 2 341.398 3.527 20 0 EHADLO Fc1cncc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000341189336 1021064613 /nfs/dbraw/zinc/06/46/13/1021064613.db2.gz LUSBCGUMOQUZSG-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)ccc2[nH+]1 ZINC000341201136 1021088678 /nfs/dbraw/zinc/08/86/78/1021088678.db2.gz FDMSVTXUALBOAT-STQMWFEESA-N 1 2 327.334 3.663 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510434401 1021102245 /nfs/dbraw/zinc/10/22/45/1021102245.db2.gz MXTDGIPOSCBREV-UYAOXDASSA-N 1 2 349.434 3.588 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510434401 1021102247 /nfs/dbraw/zinc/10/22/47/1021102247.db2.gz MXTDGIPOSCBREV-UYAOXDASSA-N 1 2 349.434 3.588 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc(C)n2C2CC2)c2ccccc2)cc1 ZINC000656659460 1021111853 /nfs/dbraw/zinc/11/18/53/1021111853.db2.gz VTEXRUWAEXHLNP-OAQYLSRUSA-N 1 2 348.450 3.809 20 0 EHADLO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1nc(C(C)(C)C)no1 ZINC000581584412 1021113763 /nfs/dbraw/zinc/11/37/63/1021113763.db2.gz WRJIOUHJYWZFJR-COPLHBTASA-N 1 2 335.473 3.782 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cc(C)oc3C)o2)c1 ZINC000341220487 1021121782 /nfs/dbraw/zinc/12/17/82/1021121782.db2.gz NMMHIGHGHKGIGK-LBPRGKRZSA-N 1 2 327.384 3.806 20 0 EHADLO COc1c(Br)cccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688753 1021175250 /nfs/dbraw/zinc/17/52/50/1021175250.db2.gz RVRRWDLYFQGOBT-UHFFFAOYSA-N 1 2 338.167 3.842 20 0 EHADLO Cc1nnsc1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000426292445 1021185560 /nfs/dbraw/zinc/18/55/60/1021185560.db2.gz UZSGFWHMTMBTKC-NSHDSACASA-N 1 2 342.237 3.525 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000295947297 1021220525 /nfs/dbraw/zinc/22/05/25/1021220525.db2.gz UERZKTGTYDNNNL-MSOLQXFVSA-N 1 2 330.472 3.592 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[NH+]2CCCCCCC2)c1=S ZINC000007074979 1021233845 /nfs/dbraw/zinc/23/38/45/1021233845.db2.gz ITBSEDWYYVAOAX-UHFFFAOYSA-N 1 2 334.464 3.981 20 0 EHADLO O=C(c1cc(Cl)ccc1O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436802104 1021245895 /nfs/dbraw/zinc/24/58/95/1021245895.db2.gz GTBSPQJYMQTLQO-UHFFFAOYSA-N 1 2 347.846 3.575 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000426314254 1021246120 /nfs/dbraw/zinc/24/61/20/1021246120.db2.gz ZCHIIRQUNDSLQY-QPJJXVBHSA-N 1 2 335.382 3.731 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc2[nH]ccc2s1 ZINC000516307256 1021286422 /nfs/dbraw/zinc/28/64/22/1021286422.db2.gz ZTABBVXWRUVSMQ-JOCQHMNTSA-N 1 2 340.452 3.778 20 0 EHADLO CC/C=C\CC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282474 1021288465 /nfs/dbraw/zinc/28/84/65/1021288465.db2.gz BWDWEAXOOHMDBN-ABCZVMIZSA-N 1 2 326.362 3.535 20 0 EHADLO CC/C=C\CC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282474 1021288470 /nfs/dbraw/zinc/28/84/70/1021288470.db2.gz BWDWEAXOOHMDBN-ABCZVMIZSA-N 1 2 326.362 3.535 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)c1c[nH]c2ncccc12 ZINC000341282396 1021288815 /nfs/dbraw/zinc/28/88/15/1021288815.db2.gz IKFPRHGLTPSOCV-WDEREUQCSA-N 1 2 329.350 3.763 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(O)cc2Cl)no1)c1ccccc1 ZINC000436874005 1021316164 /nfs/dbraw/zinc/31/61/64/1021316164.db2.gz RSEUKMDZIFITGZ-OAHLLOKOSA-N 1 2 329.787 3.747 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc2c1OCO2 ZINC000449636874 1032970220 /nfs/dbraw/zinc/97/02/20/1032970220.db2.gz XOARINXBDSKAMN-GOSISDBHSA-N 1 2 327.380 3.744 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc2c1OCO2 ZINC000449636874 1032970230 /nfs/dbraw/zinc/97/02/30/1032970230.db2.gz XOARINXBDSKAMN-GOSISDBHSA-N 1 2 327.380 3.744 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC3=CCCCC3)CC2)cc1 ZINC000518566411 1021327847 /nfs/dbraw/zinc/32/78/47/1021327847.db2.gz MPWVVWDVWHFCOT-UHFFFAOYSA-N 1 2 342.483 3.620 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc(OC)c1O ZINC000449637496 1032974551 /nfs/dbraw/zinc/97/45/51/1032974551.db2.gz GTPDOCKCBZRWKE-SFHVURJKSA-N 1 2 329.396 3.730 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc(OC)c1O ZINC000449637496 1032974561 /nfs/dbraw/zinc/97/45/61/1032974561.db2.gz GTPDOCKCBZRWKE-SFHVURJKSA-N 1 2 329.396 3.730 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000516387961 1021378330 /nfs/dbraw/zinc/37/83/30/1021378330.db2.gz LMUXEFIANSATNR-MJGOQNOKSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(O)c(C)c2)c(C)c1 ZINC000436935943 1021397354 /nfs/dbraw/zinc/39/73/54/1021397354.db2.gz FEJQNNYYGFQXKF-LJQANCHMSA-N 1 2 349.434 3.685 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000507672983 1021429485 /nfs/dbraw/zinc/42/94/85/1021429485.db2.gz MNDDCLVLIWABJF-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000507672983 1021429497 /nfs/dbraw/zinc/42/94/97/1021429497.db2.gz MNDDCLVLIWABJF-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000760470539 1032978902 /nfs/dbraw/zinc/97/89/02/1032978902.db2.gz MEOOVGHSKDAFRQ-OAHLLOKOSA-N 1 2 329.407 3.666 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000426381224 1021439326 /nfs/dbraw/zinc/43/93/26/1021439326.db2.gz VZFKPXKYBRNKNU-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000426381224 1021439329 /nfs/dbraw/zinc/43/93/29/1021439329.db2.gz VZFKPXKYBRNKNU-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO C[N@H+](CCCOCc1ccccc1)Cc1nc(C2CCCC2)no1 ZINC000439486364 1021476795 /nfs/dbraw/zinc/47/67/95/1021476795.db2.gz WZHOPHGESMBZJB-UHFFFAOYSA-N 1 2 329.444 3.766 20 0 EHADLO C[N@@H+](CCCOCc1ccccc1)Cc1nc(C2CCCC2)no1 ZINC000439486364 1021476799 /nfs/dbraw/zinc/47/67/99/1021476799.db2.gz WZHOPHGESMBZJB-UHFFFAOYSA-N 1 2 329.444 3.766 20 0 EHADLO C[C@]1([NH2+]Cc2nnc(-c3ccccc3)s2)CCOc2ccccc21 ZINC000933371412 1021498800 /nfs/dbraw/zinc/49/88/00/1021498800.db2.gz QMQDIGFFUPHQSQ-IBGZPJMESA-N 1 2 337.448 3.993 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000516534698 1021521936 /nfs/dbraw/zinc/52/19/36/1021521936.db2.gz NGUXEDAMIDAQDY-MRXNPFEDSA-N 1 2 347.528 3.778 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000516534698 1021521952 /nfs/dbraw/zinc/52/19/52/1021521952.db2.gz NGUXEDAMIDAQDY-MRXNPFEDSA-N 1 2 347.528 3.778 20 0 EHADLO Cn1c[nH+]cc1COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000439550059 1021536599 /nfs/dbraw/zinc/53/65/99/1021536599.db2.gz LLNLJVBRXREGHX-UHFFFAOYSA-N 1 2 326.783 3.884 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2cccc(F)c2)CCC1 ZINC000078493597 1021564419 /nfs/dbraw/zinc/56/44/19/1021564419.db2.gz YIAYYYWFYZZHJT-UHFFFAOYSA-N 1 2 341.430 3.651 20 0 EHADLO C[C@@H]1CC/C(=C\c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000440529999 1021589307 /nfs/dbraw/zinc/58/93/07/1021589307.db2.gz XTHQCIYBSYETCG-WTNDLDAUSA-N 1 2 339.439 3.772 20 0 EHADLO Fc1cccc(Cl)c1C[NH2+]Cc1cncc(Br)c1 ZINC000341379227 1021615708 /nfs/dbraw/zinc/61/57/08/1021615708.db2.gz SZNQLRKQMUIVFV-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO COc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc2ccccc21 ZINC000139660239 1032995849 /nfs/dbraw/zinc/99/58/49/1032995849.db2.gz JZHVZTQVMZFVBL-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c(C)c1 ZINC000528878288 1032996231 /nfs/dbraw/zinc/99/62/31/1032996231.db2.gz DOGYFYYWEHRUEV-KCUHQSDYSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000426475670 1021665547 /nfs/dbraw/zinc/66/55/47/1021665547.db2.gz YXRSBJNZVTYIEM-WFASDCNBSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000426475670 1021665553 /nfs/dbraw/zinc/66/55/53/1021665553.db2.gz YXRSBJNZVTYIEM-WFASDCNBSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(CC(C)C)CC1 ZINC000440626963 1021674394 /nfs/dbraw/zinc/67/43/94/1021674394.db2.gz SFPNQFVDZDCZPI-UHFFFAOYSA-N 1 2 330.472 3.592 20 0 EHADLO CC(C)n1cc(Cl)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000894884852 1021710949 /nfs/dbraw/zinc/71/09/49/1021710949.db2.gz YPIZELSKVNVJIG-INIZCTEOSA-N 1 2 346.862 3.721 20 0 EHADLO CC(C)n1cc(Cl)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000894884852 1021710968 /nfs/dbraw/zinc/71/09/68/1021710968.db2.gz YPIZELSKVNVJIG-INIZCTEOSA-N 1 2 346.862 3.721 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1)C(F)(F)F ZINC000579071816 1021716997 /nfs/dbraw/zinc/71/69/97/1021716997.db2.gz QJYBEIJRSLKTBY-NSHDSACASA-N 1 2 347.324 3.902 20 0 EHADLO O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528879068 1032998369 /nfs/dbraw/zinc/99/83/69/1032998369.db2.gz VIMYLXDIRWQLTL-QLFBSQMISA-N 1 2 348.516 3.687 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cccn(C(F)F)c2=O)c1 ZINC000602579092 1032998704 /nfs/dbraw/zinc/99/87/04/1032998704.db2.gz ZNMLYJHYUWCADQ-UHFFFAOYSA-N 1 2 325.384 3.504 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ncnn2CCF)cc1 ZINC000440716734 1021735975 /nfs/dbraw/zinc/73/59/75/1021735975.db2.gz ZBVNYHDZFAJWOY-QGZVFWFLSA-N 1 2 330.451 3.882 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cc2ncnn2CCF)cc1 ZINC000440716734 1021735990 /nfs/dbraw/zinc/73/59/90/1021735990.db2.gz ZBVNYHDZFAJWOY-QGZVFWFLSA-N 1 2 330.451 3.882 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000518995649 1021743010 /nfs/dbraw/zinc/74/30/10/1021743010.db2.gz DSAVJYIQGJINHU-PXAZEXFGSA-N 1 2 346.862 3.749 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000519002281 1021751725 /nfs/dbraw/zinc/75/17/25/1021751725.db2.gz ZPLKTEDSQSKTCQ-RDBSUJKOSA-N 1 2 344.405 3.982 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc3ccccc3o2)cc(OC)c1OC ZINC000341410627 1021763286 /nfs/dbraw/zinc/76/32/86/1021763286.db2.gz VJPIVOPJCKROSM-LBPRGKRZSA-N 1 2 342.395 3.704 20 0 EHADLO c1[nH+]cn2ccnc(N3CCC[C@H](c4nc5ccccc5s4)C3)c12 ZINC000891501817 1021780248 /nfs/dbraw/zinc/78/02/48/1021780248.db2.gz QIFMKIZMRJVKIZ-ZDUSSCGKSA-N 1 2 335.436 3.723 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000516858573 1021792396 /nfs/dbraw/zinc/79/23/96/1021792396.db2.gz ODBWSLBHODPWNM-SZMVWBNQSA-N 1 2 345.487 3.706 20 0 EHADLO Cc1ccc([C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000439906737 1021804795 /nfs/dbraw/zinc/80/47/95/1021804795.db2.gz ZCKUFTSXRCERPG-FPOVZHCZSA-N 1 2 345.446 3.660 20 0 EHADLO CCC1(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000440839873 1021814148 /nfs/dbraw/zinc/81/41/48/1021814148.db2.gz DFZKWCWSZYQRCG-SFHVURJKSA-N 1 2 340.471 3.731 20 0 EHADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC(C(F)(F)F)C1 ZINC000894892374 1021819883 /nfs/dbraw/zinc/81/98/83/1021819883.db2.gz SFSOMUOKBYXUNO-UHFFFAOYSA-N 1 2 345.315 3.761 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000684425972 1021820149 /nfs/dbraw/zinc/82/01/49/1021820149.db2.gz GLINPLKVZDVDDM-UHFFFAOYSA-N 1 2 344.365 3.658 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000593696505 1033009702 /nfs/dbraw/zinc/00/97/02/1033009702.db2.gz GAMIXDOKOZDJIZ-HNNXBMFYSA-N 1 2 349.500 3.701 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000593696505 1033009708 /nfs/dbraw/zinc/00/97/08/1033009708.db2.gz GAMIXDOKOZDJIZ-HNNXBMFYSA-N 1 2 349.500 3.701 20 0 EHADLO FC(F)(F)c1nc(CN2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000891526819 1021840823 /nfs/dbraw/zinc/84/08/23/1021840823.db2.gz CWPPPFCKTGZFRT-UHFFFAOYSA-N 1 2 347.431 3.541 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)CC(C)C)CC2)c1 ZINC000439952057 1021852656 /nfs/dbraw/zinc/85/26/56/1021852656.db2.gz RYCXCZSZSCZQQF-QGZVFWFLSA-N 1 2 346.515 3.973 20 0 EHADLO Cc1cccn2cc(Cc3noc(C[C@@H]4CCCC4(F)F)n3)[nH+]c12 ZINC000923877239 1021853197 /nfs/dbraw/zinc/85/31/97/1021853197.db2.gz MYNKTEDPJPGAMI-LBPRGKRZSA-N 1 2 332.354 3.594 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000440916147 1021866296 /nfs/dbraw/zinc/86/62/96/1021866296.db2.gz JGCBEICTELKIAM-SOLBZPMBSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000440916147 1021866311 /nfs/dbraw/zinc/86/63/11/1021866311.db2.gz JGCBEICTELKIAM-SOLBZPMBSA-N 1 2 348.487 3.517 20 0 EHADLO C[NH+](C)[C@H](c1nc(C(F)(F)c2ccc(F)cc2)no1)c1ccccc1 ZINC000516996280 1021930687 /nfs/dbraw/zinc/93/06/87/1021930687.db2.gz NOZJMWKACISKJZ-HNNXBMFYSA-N 1 2 347.340 4.000 20 0 EHADLO CC[C@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000891561746 1021939643 /nfs/dbraw/zinc/93/96/43/1021939643.db2.gz DZXOJCQAXBXDAQ-LBPRGKRZSA-N 1 2 326.462 3.706 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000891561746 1021939658 /nfs/dbraw/zinc/93/96/58/1021939658.db2.gz DZXOJCQAXBXDAQ-LBPRGKRZSA-N 1 2 326.462 3.706 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049455 1021955481 /nfs/dbraw/zinc/95/54/81/1021955481.db2.gz JBKDIANYPGKNLM-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049455 1021955485 /nfs/dbraw/zinc/95/54/85/1021955485.db2.gz JBKDIANYPGKNLM-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437582795 1021975316 /nfs/dbraw/zinc/97/53/16/1021975316.db2.gz OALQUKMDJXCYSA-UHFFFAOYSA-N 1 2 339.414 3.940 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437582795 1021975324 /nfs/dbraw/zinc/97/53/24/1021975324.db2.gz OALQUKMDJXCYSA-UHFFFAOYSA-N 1 2 339.414 3.940 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441124819 1021999573 /nfs/dbraw/zinc/99/95/73/1021999573.db2.gz OECSONQDLXRQIA-CABCVRRESA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@@H](SC)C1 ZINC000441124819 1021999582 /nfs/dbraw/zinc/99/95/82/1021999582.db2.gz OECSONQDLXRQIA-CABCVRRESA-N 1 2 327.877 3.772 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000341474927 1022006820 /nfs/dbraw/zinc/00/68/20/1022006820.db2.gz SYDQEMFQTFEKBS-NSHDSACASA-N 1 2 335.448 3.740 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449677402 1033024556 /nfs/dbraw/zinc/02/45/56/1033024556.db2.gz AXUSYBYWMHQNCE-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449677402 1033024565 /nfs/dbraw/zinc/02/45/65/1033024565.db2.gz AXUSYBYWMHQNCE-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441175802 1022035301 /nfs/dbraw/zinc/03/53/01/1022035301.db2.gz QURSJMRDMCPYRX-MRXNPFEDSA-N 1 2 341.329 3.751 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000441175802 1022035315 /nfs/dbraw/zinc/03/53/15/1022035315.db2.gz QURSJMRDMCPYRX-MRXNPFEDSA-N 1 2 341.329 3.751 20 0 EHADLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C2CC2)n1 ZINC000341501504 1022042039 /nfs/dbraw/zinc/04/20/39/1022042039.db2.gz NWAOIYJIVCVNJW-UHFFFAOYSA-N 1 2 342.874 3.638 20 0 EHADLO Cc1ccc(C)c(OC2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000517155079 1022078129 /nfs/dbraw/zinc/07/81/29/1022078129.db2.gz YJZKLRVOVJJIGE-KRWDZBQOSA-N 1 2 341.455 3.521 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccccc4C)OC[C@H]3C)ccn12 ZINC000519422455 1022080116 /nfs/dbraw/zinc/08/01/16/1022080116.db2.gz WBYNWHUWPPQGHT-APWZRJJASA-N 1 2 349.434 3.553 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCCCF ZINC000519436696 1022091174 /nfs/dbraw/zinc/09/11/74/1022091174.db2.gz CAVPHYIEWZRSHX-CQSZACIVSA-N 1 2 346.240 3.735 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCCCF ZINC000519436696 1022091185 /nfs/dbraw/zinc/09/11/85/1022091185.db2.gz CAVPHYIEWZRSHX-CQSZACIVSA-N 1 2 346.240 3.735 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000247401082 1022132083 /nfs/dbraw/zinc/13/20/83/1022132083.db2.gz BFUFWIDOMYRCKN-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000247401082 1022132090 /nfs/dbraw/zinc/13/20/90/1022132090.db2.gz BFUFWIDOMYRCKN-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO c1ccc(OCCCCCNc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000437775216 1022132664 /nfs/dbraw/zinc/13/26/64/1022132664.db2.gz MPYVBIWJKWDDNT-UHFFFAOYSA-N 1 2 341.455 3.579 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323382 1022160132 /nfs/dbraw/zinc/16/01/32/1022160132.db2.gz JZFVZFVRRJUWCH-GXFFZTMASA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323382 1022160138 /nfs/dbraw/zinc/16/01/38/1022160138.db2.gz JZFVZFVRRJUWCH-GXFFZTMASA-N 1 2 343.324 3.897 20 0 EHADLO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4[nH+]c(C)cn4c3)c21 ZINC000437813779 1022163415 /nfs/dbraw/zinc/16/34/15/1022163415.db2.gz GEFYCGNVGMVJJO-UHFFFAOYSA-N 1 2 348.406 3.704 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000891648987 1022208173 /nfs/dbraw/zinc/20/81/73/1022208173.db2.gz XBADJYIGFAMJNF-IBGZPJMESA-N 1 2 331.435 3.793 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000891648987 1022208182 /nfs/dbraw/zinc/20/81/82/1022208182.db2.gz XBADJYIGFAMJNF-IBGZPJMESA-N 1 2 331.435 3.793 20 0 EHADLO C[C@H](CC(=O)N(CC(F)F)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000520412979 1022216426 /nfs/dbraw/zinc/21/64/26/1022216426.db2.gz IBDSLQJLAWOGCC-LLVKDONJSA-N 1 2 327.762 3.786 20 0 EHADLO Cc1ccc(C)c(C[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000473908039 1022257953 /nfs/dbraw/zinc/25/79/53/1022257953.db2.gz DJWICCQDVIQJSO-QGZVFWFLSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1ccc(C)c(C[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000473908039 1022257962 /nfs/dbraw/zinc/25/79/62/1022257962.db2.gz DJWICCQDVIQJSO-QGZVFWFLSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1c[nH+]c(CCNc2nc(Cl)nc3c2cnn3C(C)C)c(C)c1 ZINC000894426998 1022270265 /nfs/dbraw/zinc/27/02/65/1022270265.db2.gz DTRXKENXOJCGNQ-UHFFFAOYSA-N 1 2 344.850 3.727 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3[C@@H](c4ccccc4)C3(F)F)ccc2[nH+]1 ZINC000425936402 1022270809 /nfs/dbraw/zinc/27/08/09/1022270809.db2.gz ICZBRRURLBFFCJ-CVEARBPZSA-N 1 2 327.334 3.630 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CC3CCC2CC3)c1)[NH+]1CCOCC1 ZINC000550341175 1022277690 /nfs/dbraw/zinc/27/76/90/1022277690.db2.gz IBFXPOAUSWSGLA-QVUWHDNHSA-N 1 2 342.483 3.845 20 0 EHADLO CCc1cnccc1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000685317227 1033046835 /nfs/dbraw/zinc/04/68/35/1033046835.db2.gz QEILYAUCQRBGEO-MRXNPFEDSA-N 1 2 342.830 3.998 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000438044844 1022345513 /nfs/dbraw/zinc/34/55/13/1022345513.db2.gz OABADRDXXMOOTM-QZTJIDSGSA-N 1 2 341.480 3.681 20 0 EHADLO CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCC1 ZINC000458878444 1022389061 /nfs/dbraw/zinc/38/90/61/1022389061.db2.gz IFWZOIXOHJLMDZ-UHFFFAOYSA-N 1 2 332.835 3.610 20 0 EHADLO Cc1nnc([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)[nH]1 ZINC000895008433 1022391615 /nfs/dbraw/zinc/39/16/15/1022391615.db2.gz XQZICTKUSGKJSS-JTQLQIEISA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)[nH]1 ZINC000895008433 1022391633 /nfs/dbraw/zinc/39/16/33/1022391633.db2.gz XQZICTKUSGKJSS-JTQLQIEISA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)n1 ZINC000895008433 1022391647 /nfs/dbraw/zinc/39/16/47/1022391647.db2.gz XQZICTKUSGKJSS-JTQLQIEISA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)n1 ZINC000895008433 1022391665 /nfs/dbraw/zinc/39/16/65/1022391665.db2.gz XQZICTKUSGKJSS-JTQLQIEISA-N 1 2 344.768 3.775 20 0 EHADLO Cc1cc(CNC(=O)c2ccnc(OCc3ccccc3)c2)cc(C)[nH+]1 ZINC001142506651 1033050425 /nfs/dbraw/zinc/05/04/25/1033050425.db2.gz WFXSHBRKCNKVOR-UHFFFAOYSA-N 1 2 347.418 3.602 20 0 EHADLO C[C@H]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458891755 1022438816 /nfs/dbraw/zinc/43/88/16/1022438816.db2.gz VPCYDAJXINSKRY-UONOGXRCSA-N 1 2 346.862 3.856 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)c2cc(C)n(C3CC3)c2C)on1 ZINC000085941133 1022477075 /nfs/dbraw/zinc/47/70/75/1022477075.db2.gz YMLXEUCPDYXFSW-QGZVFWFLSA-N 1 2 327.428 3.756 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)c2cc(C)n(C3CC3)c2C)on1 ZINC000085941133 1022477079 /nfs/dbraw/zinc/47/70/79/1022477079.db2.gz YMLXEUCPDYXFSW-QGZVFWFLSA-N 1 2 327.428 3.756 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)s1 ZINC000891736468 1022485907 /nfs/dbraw/zinc/48/59/07/1022485907.db2.gz TXPNSTXVXIDHEF-UHFFFAOYSA-N 1 2 344.406 3.563 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)s1 ZINC000891736468 1022485920 /nfs/dbraw/zinc/48/59/20/1022485920.db2.gz TXPNSTXVXIDHEF-UHFFFAOYSA-N 1 2 344.406 3.563 20 0 EHADLO Brc1ccc2c(c1)CC[N@@H+](C/C=C\c1ccncc1)C2 ZINC000425968294 1022502055 /nfs/dbraw/zinc/50/20/55/1022502055.db2.gz SKNIBAHPABKEIV-UPHRSURJSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1ccc2c(c1)CC[N@H+](C/C=C\c1ccncc1)C2 ZINC000425968294 1022502067 /nfs/dbraw/zinc/50/20/67/1022502067.db2.gz SKNIBAHPABKEIV-UPHRSURJSA-N 1 2 329.241 3.916 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664827861 1022511921 /nfs/dbraw/zinc/51/19/21/1022511921.db2.gz DGLCULQRWBYHDS-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000664827861 1022511931 /nfs/dbraw/zinc/51/19/31/1022511931.db2.gz DGLCULQRWBYHDS-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CNc1ccccc1O[C@H]1CCOC1 ZINC000438307482 1022546466 /nfs/dbraw/zinc/54/64/66/1022546466.db2.gz SQJWLKOSROGBFC-IBGZPJMESA-N 1 2 349.434 3.711 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469390282 1022575615 /nfs/dbraw/zinc/57/56/15/1022575615.db2.gz FPFYFBKDKCHHRR-BXWFABGCSA-N 1 2 325.456 3.659 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000891770070 1022610747 /nfs/dbraw/zinc/61/07/47/1022610747.db2.gz GQALVOARTGMMAS-DTORHVGOSA-N 1 2 331.256 3.851 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000891770070 1022610757 /nfs/dbraw/zinc/61/07/57/1022610757.db2.gz GQALVOARTGMMAS-DTORHVGOSA-N 1 2 331.256 3.851 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CCC3(C)C)n2)O1 ZINC000665002006 1022630070 /nfs/dbraw/zinc/63/00/70/1022630070.db2.gz UJTJNFQRDOHQKM-DJIMGWMZSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CCC3(C)C)n2)O1 ZINC000665002006 1022630072 /nfs/dbraw/zinc/63/00/72/1022630072.db2.gz UJTJNFQRDOHQKM-DJIMGWMZSA-N 1 2 341.455 3.935 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004961 1022638208 /nfs/dbraw/zinc/63/82/08/1022638208.db2.gz BLTHGGDAUXBZQP-LQKCCPFBSA-N 1 2 325.412 3.621 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004961 1022638216 /nfs/dbraw/zinc/63/82/16/1022638216.db2.gz BLTHGGDAUXBZQP-LQKCCPFBSA-N 1 2 325.412 3.621 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3=CCCCC3)n2)O1 ZINC000665008653 1022680398 /nfs/dbraw/zinc/68/03/98/1022680398.db2.gz BAQGFHPTKVSWLV-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3=CCCCC3)n2)O1 ZINC000665008653 1022680407 /nfs/dbraw/zinc/68/04/07/1022680407.db2.gz BAQGFHPTKVSWLV-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCCS3)n2)O1 ZINC000665008327 1022682379 /nfs/dbraw/zinc/68/23/79/1022682379.db2.gz JATQJLWBJLTJIK-VNQPRFMTSA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCCS3)n2)O1 ZINC000665008327 1022682385 /nfs/dbraw/zinc/68/23/85/1022682385.db2.gz JATQJLWBJLTJIK-VNQPRFMTSA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000729465559 1022734277 /nfs/dbraw/zinc/73/42/77/1022734277.db2.gz OCAPYSHQLWKZDJ-LLVKDONJSA-N 1 2 338.224 3.751 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000729465559 1022734289 /nfs/dbraw/zinc/73/42/89/1022734289.db2.gz OCAPYSHQLWKZDJ-LLVKDONJSA-N 1 2 338.224 3.751 20 0 EHADLO CC1=CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000280803911 1022742709 /nfs/dbraw/zinc/74/27/09/1022742709.db2.gz LCVNYSJHOPJLJI-UHFFFAOYSA-N 1 2 348.244 3.575 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000280803911 1022742717 /nfs/dbraw/zinc/74/27/17/1022742717.db2.gz LCVNYSJHOPJLJI-UHFFFAOYSA-N 1 2 348.244 3.575 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(C2CCCCC2)cc1 ZINC000430898868 1022848207 /nfs/dbraw/zinc/84/82/07/1022848207.db2.gz FOIDSTVKQZVDQM-UHFFFAOYSA-N 1 2 340.471 3.820 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638520221 1022855228 /nfs/dbraw/zinc/85/52/28/1022855228.db2.gz PQJURDKPWFVJTQ-QGZVFWFLSA-N 1 2 328.460 3.960 20 0 EHADLO C[N@H+](CCOc1cc(F)cc(Br)c1)Cc1nccs1 ZINC000189063335 1022941496 /nfs/dbraw/zinc/94/14/96/1022941496.db2.gz AHGIQHQDYCVIHH-UHFFFAOYSA-N 1 2 345.237 3.556 20 0 EHADLO C[N@@H+](CCOc1cc(F)cc(Br)c1)Cc1nccs1 ZINC000189063335 1022941501 /nfs/dbraw/zinc/94/15/01/1022941501.db2.gz AHGIQHQDYCVIHH-UHFFFAOYSA-N 1 2 345.237 3.556 20 0 EHADLO Fc1ccc(C[C@@H]2CCCC[N@@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000729472129 1022943507 /nfs/dbraw/zinc/94/35/07/1022943507.db2.gz HMKGNFYCQYVWLQ-KRWDZBQOSA-N 1 2 346.475 3.943 20 0 EHADLO Fc1ccc(C[C@@H]2CCCC[N@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000729472129 1022943516 /nfs/dbraw/zinc/94/35/16/1022943516.db2.gz HMKGNFYCQYVWLQ-KRWDZBQOSA-N 1 2 346.475 3.943 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000438761795 1022976089 /nfs/dbraw/zinc/97/60/89/1022976089.db2.gz DDMKTIBCPXWUDG-CQSZACIVSA-N 1 2 337.876 3.525 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000438761795 1022976100 /nfs/dbraw/zinc/97/61/00/1022976100.db2.gz DDMKTIBCPXWUDG-CQSZACIVSA-N 1 2 337.876 3.525 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000476259862 1033095943 /nfs/dbraw/zinc/09/59/43/1033095943.db2.gz VCPNQTHPEDLJNK-RRQGHBQHSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000476259862 1033095960 /nfs/dbraw/zinc/09/59/60/1033095960.db2.gz VCPNQTHPEDLJNK-RRQGHBQHSA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091703313 1023051821 /nfs/dbraw/zinc/05/18/21/1023051821.db2.gz LSUFKAAWVUDCNH-KRWDZBQOSA-N 1 2 339.483 3.557 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091703313 1023051831 /nfs/dbraw/zinc/05/18/31/1023051831.db2.gz LSUFKAAWVUDCNH-KRWDZBQOSA-N 1 2 339.483 3.557 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)no1 ZINC000198099536 1033105647 /nfs/dbraw/zinc/10/56/47/1033105647.db2.gz XXKFKCJTGGQVAS-UHFFFAOYSA-N 1 2 335.407 3.721 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)no1 ZINC000198099536 1033105653 /nfs/dbraw/zinc/10/56/53/1033105653.db2.gz XXKFKCJTGGQVAS-UHFFFAOYSA-N 1 2 335.407 3.721 20 0 EHADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426880200 1023096157 /nfs/dbraw/zinc/09/61/57/1023096157.db2.gz ABXPFFYPZZECAZ-XZVRFQMRSA-N 1 2 339.464 3.879 20 0 EHADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426880200 1023096161 /nfs/dbraw/zinc/09/61/61/1023096161.db2.gz ABXPFFYPZZECAZ-XZVRFQMRSA-N 1 2 339.464 3.879 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c(C)c1 ZINC000091894615 1023143722 /nfs/dbraw/zinc/14/37/22/1023143722.db2.gz IQXNPWJGOUZBLL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cc(F)ccc3C2)c(C)c1 ZINC000091894615 1023143728 /nfs/dbraw/zinc/14/37/28/1023143728.db2.gz IQXNPWJGOUZBLL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000507131615 1023143692 /nfs/dbraw/zinc/14/36/92/1023143692.db2.gz CSPNAMSHZMBYHA-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000507131615 1023143699 /nfs/dbraw/zinc/14/36/99/1023143699.db2.gz CSPNAMSHZMBYHA-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c1C ZINC000091898736 1023145742 /nfs/dbraw/zinc/14/57/42/1023145742.db2.gz SRFDAYNLUGMOOL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3cc(F)ccc3C2)c1C ZINC000091898736 1023145749 /nfs/dbraw/zinc/14/57/49/1023145749.db2.gz SRFDAYNLUGMOOL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO CCOc1cc(F)c(C[N@H+](C)CCc2noc(C(C)C)n2)c(F)c1 ZINC001143564858 1023147234 /nfs/dbraw/zinc/14/72/34/1023147234.db2.gz MNZQGWMGVJDHFC-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO CCOc1cc(F)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c(F)c1 ZINC001143564858 1023147244 /nfs/dbraw/zinc/14/72/44/1023147244.db2.gz MNZQGWMGVJDHFC-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO CSCc1cc(F)ccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610674608 1023162603 /nfs/dbraw/zinc/16/26/03/1023162603.db2.gz OYESFUVCMURJJU-UHFFFAOYSA-N 1 2 344.415 3.658 20 0 EHADLO COc1ccc2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)[nH]c2c1 ZINC000518253313 1023165846 /nfs/dbraw/zinc/16/58/46/1023165846.db2.gz CQTJPUGZECSVHF-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO CCC(CC)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343287540 1023199480 /nfs/dbraw/zinc/19/94/80/1023199480.db2.gz BCGTXNVKTJHIRI-UHFFFAOYSA-N 1 2 339.443 3.698 20 0 EHADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000276850664 1023214410 /nfs/dbraw/zinc/21/44/10/1023214410.db2.gz UUOQKMXZAJLIHD-GFCCVEGCSA-N 1 2 346.780 3.556 20 0 EHADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000276850664 1023214418 /nfs/dbraw/zinc/21/44/18/1023214418.db2.gz UUOQKMXZAJLIHD-GFCCVEGCSA-N 1 2 346.780 3.556 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)cc2[nH+]1 ZINC000439025431 1023215110 /nfs/dbraw/zinc/21/51/10/1023215110.db2.gz IRTQWLQIUCIHGP-UHFFFAOYSA-N 1 2 349.312 3.951 20 0 EHADLO c1cn(-c2ccc(-c3noc(-c4csc(C5CC5)n4)n3)cc2)c[nH+]1 ZINC001213110602 1023219425 /nfs/dbraw/zinc/21/94/25/1023219425.db2.gz GVSVDLHTUBDDPZ-UHFFFAOYSA-N 1 2 335.392 3.923 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(c3cccc(Cl)c3)CC2)c[nH+]1 ZINC000459068821 1023236973 /nfs/dbraw/zinc/23/69/73/1023236973.db2.gz DRNVQZYOWFHVQY-UHFFFAOYSA-N 1 2 329.831 3.840 20 0 EHADLO CCCC1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000056800055 1023247303 /nfs/dbraw/zinc/24/73/03/1023247303.db2.gz GUJWSJDQJIACPP-UHFFFAOYSA-N 1 2 344.503 3.709 20 0 EHADLO CCNC(=O)C[NH+](C/C=C\c1ccccc1)C/C=C\c1ccccc1 ZINC000507324066 1023247735 /nfs/dbraw/zinc/24/77/35/1023247735.db2.gz IKHJOMBSVGIADP-VULZFCBJSA-N 1 2 334.463 3.851 20 0 EHADLO C[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000341749950 1023256808 /nfs/dbraw/zinc/25/68/08/1023256808.db2.gz QNWJESJTIGWOAP-NUJGCVRESA-N 1 2 327.472 3.528 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccco1 ZINC000276870997 1023267385 /nfs/dbraw/zinc/26/73/85/1023267385.db2.gz LLGPYNOTRYAINW-INIZCTEOSA-N 1 2 347.365 3.611 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)c[nH+]1 ZINC000459085141 1023272668 /nfs/dbraw/zinc/27/26/68/1023272668.db2.gz VHFUBLGSIKMAJF-UHFFFAOYSA-N 1 2 345.393 3.851 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c[nH+]1 ZINC000459090457 1023275319 /nfs/dbraw/zinc/27/53/19/1023275319.db2.gz ZPJCTYXCYQLTOI-BFHYXJOUSA-N 1 2 343.393 3.959 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC(Cc3ccccc3Cl)C2)c[nH+]1 ZINC000459088903 1023275817 /nfs/dbraw/zinc/27/58/17/1023275817.db2.gz YPDCTSVPPSJBTC-UHFFFAOYSA-N 1 2 343.858 3.736 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000133253226 1023301916 /nfs/dbraw/zinc/30/19/16/1023301916.db2.gz VFHIDUKXVXIQSC-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000891911522 1023376383 /nfs/dbraw/zinc/37/63/83/1023376383.db2.gz WNLFTJCEWWEEDO-UHFFFAOYSA-N 1 2 331.489 3.730 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000891911522 1023376387 /nfs/dbraw/zinc/37/63/87/1023376387.db2.gz WNLFTJCEWWEEDO-UHFFFAOYSA-N 1 2 331.489 3.730 20 0 EHADLO C[C@@]1(Br)C[C@@H]1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925097 1023425259 /nfs/dbraw/zinc/42/52/59/1023425259.db2.gz DHYMZXWHRDXBBE-GDBMZVCRSA-N 1 2 334.261 3.585 20 0 EHADLO C[C@@]1(Br)C[C@@H]1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925097 1023425262 /nfs/dbraw/zinc/42/52/62/1023425262.db2.gz DHYMZXWHRDXBBE-GDBMZVCRSA-N 1 2 334.261 3.585 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000761044730 1033136489 /nfs/dbraw/zinc/13/64/89/1033136489.db2.gz BWGTYOZJISZDAW-VIFPVBQESA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000761044730 1033136497 /nfs/dbraw/zinc/13/64/97/1033136497.db2.gz BWGTYOZJISZDAW-VIFPVBQESA-N 1 2 331.725 3.774 20 0 EHADLO CCc1cc(N2CCOc3c(Br)cccc3C2)nc(C)[nH+]1 ZINC000684592389 1023593708 /nfs/dbraw/zinc/59/37/08/1023593708.db2.gz KDQNJKAEFKSJMP-UHFFFAOYSA-N 1 2 348.244 3.509 20 0 EHADLO Cc1[nH]c(CN[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)[nH+]c1C ZINC000897749108 1033148840 /nfs/dbraw/zinc/14/88/40/1033148840.db2.gz UUYJXSOFAUQVPK-QGZVFWFLSA-N 1 2 329.444 3.508 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCC1 ZINC000594052168 1033153091 /nfs/dbraw/zinc/15/30/91/1033153091.db2.gz RCAAKQVMJAHAFT-UHFFFAOYSA-N 1 2 342.439 3.637 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CCC1 ZINC000594052168 1033153104 /nfs/dbraw/zinc/15/31/04/1033153104.db2.gz RCAAKQVMJAHAFT-UHFFFAOYSA-N 1 2 342.439 3.637 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000934046254 1023688137 /nfs/dbraw/zinc/68/81/37/1023688137.db2.gz QZNKXUUORAMSDF-CQSZACIVSA-N 1 2 342.443 3.999 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000180964252 1023707716 /nfs/dbraw/zinc/70/77/16/1023707716.db2.gz JZJFSEZGTAGHLJ-CQSZACIVSA-N 1 2 325.387 3.850 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000341994010 1023746052 /nfs/dbraw/zinc/74/60/52/1023746052.db2.gz DUYFPWCJMUSBFN-SNVBAGLBSA-N 1 2 327.302 3.936 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ncc(C)cn1)c1ccc(Cl)c(Cl)c1 ZINC000342041199 1023774164 /nfs/dbraw/zinc/77/41/64/1023774164.db2.gz DKZNCHMTDGQFKB-OAHLLOKOSA-N 1 2 340.254 3.959 20 0 EHADLO CC(C)(CCCc1ccccc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000602766623 1033164332 /nfs/dbraw/zinc/16/43/32/1033164332.db2.gz YUDHGVQVTACXNX-UHFFFAOYSA-N 1 2 338.451 3.720 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000181150701 1023861778 /nfs/dbraw/zinc/86/17/78/1023861778.db2.gz AXAPWLROCYRNMP-HNNXBMFYSA-N 1 2 339.414 3.846 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684624128 1023895354 /nfs/dbraw/zinc/89/53/54/1023895354.db2.gz MYNIIGHSRYOIIB-JTQLQIEISA-N 1 2 347.203 3.507 20 0 EHADLO CCC1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC1 ZINC000471990267 1023935314 /nfs/dbraw/zinc/93/53/14/1023935314.db2.gz XBCONDCKIYTOHM-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO CCSc1ccc([C@@H](C)Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000192303836 1023983777 /nfs/dbraw/zinc/98/37/77/1023983777.db2.gz XSTSXKHQCULSJA-CQSZACIVSA-N 1 2 344.484 3.598 20 0 EHADLO CCSc1ccc([C@@H](C)Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000192303836 1023983795 /nfs/dbraw/zinc/98/37/95/1023983795.db2.gz XSTSXKHQCULSJA-CQSZACIVSA-N 1 2 344.484 3.598 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC1 ZINC000458345832 1023986039 /nfs/dbraw/zinc/98/60/39/1023986039.db2.gz XISQTWQRMAGJAE-LJQANCHMSA-N 1 2 325.456 3.559 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cl)c1F ZINC000046469845 1033178181 /nfs/dbraw/zinc/17/81/81/1033178181.db2.gz VCODXLMFIHDKTO-ZDUSSCGKSA-N 1 2 338.814 3.912 20 0 EHADLO COc1cccc(COc2ccc(C[N@H+](C)Cc3cnc[nH]3)cc2)c1 ZINC000895223619 1024000432 /nfs/dbraw/zinc/00/04/32/1024000432.db2.gz ASQGEVBCAWDWGY-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO COc1cccc(COc2ccc(C[N@@H+](C)Cc3cnc[nH]3)cc2)c1 ZINC000895223619 1024000449 /nfs/dbraw/zinc/00/04/49/1024000449.db2.gz ASQGEVBCAWDWGY-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO COc1cccc(COc2ccc(C[N@H+](C)Cc3c[nH]cn3)cc2)c1 ZINC000895223619 1024000466 /nfs/dbraw/zinc/00/04/66/1024000466.db2.gz ASQGEVBCAWDWGY-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO COc1cccc(COc2ccc(C[N@@H+](C)Cc3c[nH]cn3)cc2)c1 ZINC000895223619 1024000482 /nfs/dbraw/zinc/00/04/82/1024000482.db2.gz ASQGEVBCAWDWGY-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)sc1C ZINC001271128886 1024014282 /nfs/dbraw/zinc/01/42/82/1024014282.db2.gz ALYYXQCWMKZYTL-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)sc1C ZINC001271128886 1024014288 /nfs/dbraw/zinc/01/42/88/1024014288.db2.gz ALYYXQCWMKZYTL-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO CCCOc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046468799 1033175442 /nfs/dbraw/zinc/17/54/42/1033175442.db2.gz SGDLIJDDPSUQGI-QGZVFWFLSA-N 1 2 344.459 3.908 20 0 EHADLO O=C(Cc1cccc(Cl)c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513987685 1024032363 /nfs/dbraw/zinc/03/23/63/1024032363.db2.gz OYLROHOYGDZCRV-KRWDZBQOSA-N 1 2 349.261 3.709 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000513999632 1024040782 /nfs/dbraw/zinc/04/07/82/1024040782.db2.gz OJXDPMISSYJUTP-ACJLOTCBSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@H](CO)c3ccc(F)cc3)co2)cc1 ZINC000443552975 1024131769 /nfs/dbraw/zinc/13/17/69/1024131769.db2.gz XDSZLELVXNMJFY-GOSISDBHSA-N 1 2 326.371 3.612 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCC[C@H](C)CC2)c1C ZINC000443553808 1024133753 /nfs/dbraw/zinc/13/37/53/1024133753.db2.gz QWIJFMVZVJQRSS-BBRMVZONSA-N 1 2 333.476 3.817 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](Cc1ccccc1)c1sccc1C)C1CC1 ZINC000514121035 1024163040 /nfs/dbraw/zinc/16/30/40/1024163040.db2.gz QXKMPWIFEOFHCG-SJORKVTESA-N 1 2 329.465 3.882 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc2c1CCCC2 ZINC000520594081 1024180729 /nfs/dbraw/zinc/18/07/29/1024180729.db2.gz FSQLSBNQWVEXTH-UHFFFAOYSA-N 1 2 338.455 3.974 20 0 EHADLO CCN(CCC1CC1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443582968 1024185592 /nfs/dbraw/zinc/18/55/92/1024185592.db2.gz VMTPNDASQFSYEF-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CCN(CCC1CC1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443582968 1024185598 /nfs/dbraw/zinc/18/55/98/1024185598.db2.gz VMTPNDASQFSYEF-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507782266 1024191966 /nfs/dbraw/zinc/19/19/66/1024191966.db2.gz FACBFGCEGYAGRJ-ATZDWAIDSA-N 1 2 345.462 3.834 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccnn2C(C)C)c2ccco2)cc1 ZINC000449773307 1033192238 /nfs/dbraw/zinc/19/22/38/1033192238.db2.gz JVNGAOCKSFWBRP-IBGZPJMESA-N 1 2 325.412 3.945 20 0 EHADLO O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCn1cc[nH+]c1 ZINC000522314371 1024207434 /nfs/dbraw/zinc/20/74/34/1024207434.db2.gz NVKJBXVNEIEGTF-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342132135 1024209175 /nfs/dbraw/zinc/20/91/75/1024209175.db2.gz QBHLGOJLLNFATJ-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000109961802 1024250666 /nfs/dbraw/zinc/25/06/66/1024250666.db2.gz GDIRGZJJXMEZQR-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO Fc1ccc(OCC2CCOCC2)c(-c2ccc3[nH+]ccn3c2)c1 ZINC000665132577 1024259758 /nfs/dbraw/zinc/25/97/58/1024259758.db2.gz HRSXSHAOJHANLL-UHFFFAOYSA-N 1 2 326.371 3.946 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3nc4ccccc4o3)[C@@H](C)C2)c(C)s1 ZINC000443631841 1024273220 /nfs/dbraw/zinc/27/32/20/1024273220.db2.gz RSBXCRMUOQKHOE-LBPRGKRZSA-N 1 2 342.468 3.612 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@@H](C)C2)c(C)s1 ZINC000443631841 1024273234 /nfs/dbraw/zinc/27/32/34/1024273234.db2.gz RSBXCRMUOQKHOE-LBPRGKRZSA-N 1 2 342.468 3.612 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443640758 1024292452 /nfs/dbraw/zinc/29/24/52/1024292452.db2.gz OATMZTGTLCHJTC-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443640758 1024292458 /nfs/dbraw/zinc/29/24/58/1024292458.db2.gz OATMZTGTLCHJTC-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4occc43)c[nH+]2)C[C@H](C)O1 ZINC000330057332 1024305890 /nfs/dbraw/zinc/30/58/90/1024305890.db2.gz XHXOAACCFOUPAB-JKIFEVAISA-N 1 2 327.428 3.778 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505476017 1024317182 /nfs/dbraw/zinc/31/71/82/1024317182.db2.gz IDVHFTVHASTUDP-GOSISDBHSA-N 1 2 346.833 3.503 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000434714872 1024318367 /nfs/dbraw/zinc/31/83/67/1024318367.db2.gz UFQQPPJBEFZLLC-CABCVRRESA-N 1 2 326.440 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000434714872 1024318384 /nfs/dbraw/zinc/31/83/84/1024318384.db2.gz UFQQPPJBEFZLLC-CABCVRRESA-N 1 2 326.440 3.776 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000342179898 1024322653 /nfs/dbraw/zinc/32/26/53/1024322653.db2.gz YAPGFANABPWAEC-YOEHRIQHSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000342179898 1024322674 /nfs/dbraw/zinc/32/26/74/1024322674.db2.gz YAPGFANABPWAEC-YOEHRIQHSA-N 1 2 327.428 3.689 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC000151648521 1024327070 /nfs/dbraw/zinc/32/70/70/1024327070.db2.gz JSKXWWFIFAHLMF-OAHLLOKOSA-N 1 2 327.428 3.572 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277247700 1024328525 /nfs/dbraw/zinc/32/85/25/1024328525.db2.gz OZRUTAJXNPKGPF-SFHVURJKSA-N 1 2 338.455 3.766 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346045626 1024338228 /nfs/dbraw/zinc/33/82/28/1024338228.db2.gz ZVOGHJNUHBHHNS-CYBMUJFWSA-N 1 2 341.798 3.510 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187460321 1024344943 /nfs/dbraw/zinc/34/49/43/1024344943.db2.gz QBSBWFRLANCSKW-UHFFFAOYSA-N 1 2 346.837 3.694 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187460321 1024344956 /nfs/dbraw/zinc/34/49/56/1024344956.db2.gz QBSBWFRLANCSKW-UHFFFAOYSA-N 1 2 346.837 3.694 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000550558482 1024353440 /nfs/dbraw/zinc/35/34/40/1024353440.db2.gz VOTQSCJMVFXSDV-YOEHRIQHSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000550558482 1024353453 /nfs/dbraw/zinc/35/34/53/1024353453.db2.gz VOTQSCJMVFXSDV-YOEHRIQHSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(C)C)c(C)c3)[nH+]c12 ZINC000607573027 1033205605 /nfs/dbraw/zinc/20/56/05/1033205605.db2.gz ZEJAGJQPJFNXBV-UHFFFAOYSA-N 1 2 337.423 3.920 20 0 EHADLO CCN(Cc1c[nH+]cn1CC)Cc1cc(Br)ccc1F ZINC000417725246 1024430143 /nfs/dbraw/zinc/43/01/43/1024430143.db2.gz LHMJUYUDEFFLCO-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO FC(F)(F)c1ccc(-n2ccnc2SCCn2cc[nH+]c2)cc1 ZINC000342215789 1024431681 /nfs/dbraw/zinc/43/16/81/1024431681.db2.gz RCQRFSCDZPBIEP-UHFFFAOYSA-N 1 2 338.358 3.880 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505530954 1024439362 /nfs/dbraw/zinc/43/93/62/1024439362.db2.gz WVYJGCXCOHLBJE-QDVBSOPMSA-N 1 2 342.389 3.541 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4ccc5ncccc5c4)no3)c2)c[nH+]1 ZINC000346138792 1024440144 /nfs/dbraw/zinc/44/01/44/1024440144.db2.gz UBVQNTKBLHBRMT-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645422792 1024448467 /nfs/dbraw/zinc/44/84/67/1024448467.db2.gz RZGOUGLEAJHDPM-MGPQQGTHSA-N 1 2 344.846 3.514 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)s1)C[C@@H]1COc2ccccc2O1 ZINC000346166754 1024479852 /nfs/dbraw/zinc/47/98/52/1024479852.db2.gz GHKYIHAWRNSHMH-CQSZACIVSA-N 1 2 332.469 3.928 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)s1)C[C@@H]1COc2ccccc2O1 ZINC000346166754 1024479867 /nfs/dbraw/zinc/47/98/67/1024479867.db2.gz GHKYIHAWRNSHMH-CQSZACIVSA-N 1 2 332.469 3.928 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](CCOC)Cc1cccs1 ZINC000053099677 1024499809 /nfs/dbraw/zinc/49/98/09/1024499809.db2.gz CWWGSPJUCUREDO-UHFFFAOYSA-N 1 2 346.496 3.706 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](CCOC)Cc1cccs1 ZINC000053099677 1024499819 /nfs/dbraw/zinc/49/98/19/1024499819.db2.gz CWWGSPJUCUREDO-UHFFFAOYSA-N 1 2 346.496 3.706 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+](C)C[C@H]3CCCCO3)o2)cc1C ZINC000346217001 1024510092 /nfs/dbraw/zinc/51/00/92/1024510092.db2.gz IWIFMZRTCCJENW-CYBMUJFWSA-N 1 2 335.473 3.670 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+](C)C[C@H]3CCCCO3)o2)cc1C ZINC000346217001 1024510100 /nfs/dbraw/zinc/51/01/00/1024510100.db2.gz IWIFMZRTCCJENW-CYBMUJFWSA-N 1 2 335.473 3.670 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000474178948 1024537404 /nfs/dbraw/zinc/53/74/04/1024537404.db2.gz STXVDTIFPXPAKF-KRWDZBQOSA-N 1 2 340.471 3.840 20 0 EHADLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985466 1024540076 /nfs/dbraw/zinc/54/00/76/1024540076.db2.gz IWGQGSWHDLVMEQ-CYBMUJFWSA-N 1 2 333.432 3.612 20 0 EHADLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985466 1024540085 /nfs/dbraw/zinc/54/00/85/1024540085.db2.gz IWGQGSWHDLVMEQ-CYBMUJFWSA-N 1 2 333.432 3.612 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434987645 1024543536 /nfs/dbraw/zinc/54/35/36/1024543536.db2.gz OFQQSCQRVBYPER-CQSZACIVSA-N 1 2 342.468 3.610 20 0 EHADLO Cc1cc(OCc2cc(-c3cnn(C)c3)no2)c2cccc(C)c2[nH+]1 ZINC000346240662 1024555499 /nfs/dbraw/zinc/55/54/99/1024555499.db2.gz PSUXEJXQBGTTQV-UHFFFAOYSA-N 1 2 334.379 3.819 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3c(F)cccc3C2)c(-c2ccccc2)n1 ZINC000435040490 1024563107 /nfs/dbraw/zinc/56/31/07/1024563107.db2.gz FDTRZSVDQYKHOH-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3c(F)cccc3C2)c(-c2ccccc2)n1 ZINC000435040490 1024563117 /nfs/dbraw/zinc/56/31/17/1024563117.db2.gz FDTRZSVDQYKHOH-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO Fc1ccc(/C=C\C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1 ZINC000435029911 1024571368 /nfs/dbraw/zinc/57/13/68/1024571368.db2.gz XOXYOIPFBVFFAC-ARJAWSKDSA-N 1 2 327.334 3.818 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000366621389 1024588228 /nfs/dbraw/zinc/58/82/28/1024588228.db2.gz WMRBFXNTHIXALN-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO CC(=O)c1cc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211884139 1024589492 /nfs/dbraw/zinc/58/94/92/1024589492.db2.gz DWLJTXKXHOUUNE-SJORKVTESA-N 1 2 348.406 3.890 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000346294070 1024611215 /nfs/dbraw/zinc/61/12/15/1024611215.db2.gz CHNZMMPSTFWJMX-LLVKDONJSA-N 1 2 344.406 3.758 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000346294070 1024611221 /nfs/dbraw/zinc/61/12/21/1024611221.db2.gz CHNZMMPSTFWJMX-LLVKDONJSA-N 1 2 344.406 3.758 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000665197606 1024615664 /nfs/dbraw/zinc/61/56/64/1024615664.db2.gz PHMWHFQXAVXUIJ-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000665197606 1024615672 /nfs/dbraw/zinc/61/56/72/1024615672.db2.gz PHMWHFQXAVXUIJ-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO CC(C)[C@H](C)CC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000435096343 1024617437 /nfs/dbraw/zinc/61/74/37/1024617437.db2.gz VTZYUELOROJXMA-CVEARBPZSA-N 1 2 349.544 3.638 20 0 EHADLO CC(C)[C@H](C)CC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000435096343 1024617445 /nfs/dbraw/zinc/61/74/45/1024617445.db2.gz VTZYUELOROJXMA-CVEARBPZSA-N 1 2 349.544 3.638 20 0 EHADLO Cc1cc(NCc2ccccc2N2CCOCC2)nc(C2CCC2)[nH+]1 ZINC000892084458 1024630032 /nfs/dbraw/zinc/63/00/32/1024630032.db2.gz YWCNUYUZWAALST-UHFFFAOYSA-N 1 2 338.455 3.501 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@H]1C ZINC000614670069 1024636995 /nfs/dbraw/zinc/63/69/95/1024636995.db2.gz SKSKYHVWBPUOAM-ZACQAIPSSA-N 1 2 349.544 3.680 20 0 EHADLO O=C([C@@H]1CCCC2(CC2)C1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614670158 1024637214 /nfs/dbraw/zinc/63/72/14/1024637214.db2.gz TWHQQYMEVDGBGV-MRXNPFEDSA-N 1 2 347.528 3.578 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)o1 ZINC000895580700 1024637676 /nfs/dbraw/zinc/63/76/76/1024637676.db2.gz CNUPDJLBZYYTSE-UHFFFAOYSA-N 1 2 335.787 3.994 20 0 EHADLO c1sc(CCc2ccccc2)nc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657293759 1024661156 /nfs/dbraw/zinc/66/11/56/1024661156.db2.gz MOCNUUYSHFRLKR-AEFFLSMTSA-N 1 2 328.481 3.539 20 0 EHADLO c1sc(CCc2ccccc2)nc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657293759 1024661161 /nfs/dbraw/zinc/66/11/61/1024661161.db2.gz MOCNUUYSHFRLKR-AEFFLSMTSA-N 1 2 328.481 3.539 20 0 EHADLO COc1ccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)cn1 ZINC001211884889 1024662119 /nfs/dbraw/zinc/66/21/19/1024662119.db2.gz IEAAPSZNKWTRLM-HOTGVXAUSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000430124998 1024670165 /nfs/dbraw/zinc/67/01/65/1024670165.db2.gz ODJSIMMYSGKEMK-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000430124998 1024670177 /nfs/dbraw/zinc/67/01/77/1024670177.db2.gz ODJSIMMYSGKEMK-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000602877195 1033229276 /nfs/dbraw/zinc/22/92/76/1033229276.db2.gz FACRRQRSVOXJKH-AOOOYVTPSA-N 1 2 342.283 3.653 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000602877195 1033229290 /nfs/dbraw/zinc/22/92/90/1033229290.db2.gz FACRRQRSVOXJKH-AOOOYVTPSA-N 1 2 342.283 3.653 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1cn(C(C)C)nn1 ZINC000427687186 1024734490 /nfs/dbraw/zinc/73/44/90/1024734490.db2.gz USPQXMMYMYJDEQ-UHFFFAOYSA-N 1 2 327.457 3.787 20 0 EHADLO O=S1(=O)CC[C@H]([N@H+](Cc2cc(-c3ccccc3)cs2)C2CC2)C1 ZINC000157081412 1024763708 /nfs/dbraw/zinc/76/37/08/1024763708.db2.gz SCQLXWMCCGHJNJ-KRWDZBQOSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cc(-c3ccccc3)cs2)C2CC2)C1 ZINC000157081412 1024763721 /nfs/dbraw/zinc/76/37/21/1024763721.db2.gz SCQLXWMCCGHJNJ-KRWDZBQOSA-N 1 2 347.505 3.567 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509264 1024768524 /nfs/dbraw/zinc/76/85/24/1024768524.db2.gz MALZXVJNNPCKLE-AZUAARDMSA-N 1 2 349.471 3.820 20 0 EHADLO CCC[C@]1(C)CCC[N@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509264 1024768536 /nfs/dbraw/zinc/76/85/36/1024768536.db2.gz MALZXVJNNPCKLE-AZUAARDMSA-N 1 2 349.471 3.820 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001141837954 1024780479 /nfs/dbraw/zinc/78/04/79/1024780479.db2.gz WFRVGHXBJYTWFU-CQSZACIVSA-N 1 2 348.643 3.854 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001141837954 1024780469 /nfs/dbraw/zinc/78/04/69/1024780469.db2.gz WFRVGHXBJYTWFU-CQSZACIVSA-N 1 2 348.643 3.854 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)NCc3c[nH+]cn3C(C)C)n2)cc1 ZINC000425336197 1024782606 /nfs/dbraw/zinc/78/26/06/1024782606.db2.gz KFUQULDDBZXRCX-CQSZACIVSA-N 1 2 339.443 3.927 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C12CCC(CC1)C2 ZINC000342305830 1024783792 /nfs/dbraw/zinc/78/37/92/1024783792.db2.gz JXHYNKZEEPZWMT-UHFFFAOYSA-N 1 2 341.499 3.727 20 0 EHADLO Cc1[nH]ccc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336807 1024806455 /nfs/dbraw/zinc/80/64/55/1024806455.db2.gz QZDQYHOTCGKESU-UHFFFAOYSA-N 1 2 342.830 3.516 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H](C)Cc1ccsc1 ZINC000548628178 1024870563 /nfs/dbraw/zinc/87/05/63/1024870563.db2.gz OEQJAXBSJNJBQV-OAHLLOKOSA-N 1 2 341.480 3.726 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCC3(c4ccccc4)CC3)c12 ZINC000342321798 1024873018 /nfs/dbraw/zinc/87/30/18/1024873018.db2.gz PHOJGAUSJSPVCL-UHFFFAOYSA-N 1 2 341.418 3.959 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc(CC(F)(F)F)s1 ZINC000892124957 1024874940 /nfs/dbraw/zinc/87/49/40/1024874940.db2.gz FNJPUZCQOWRCOL-UHFFFAOYSA-N 1 2 348.390 3.798 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc(CC(F)(F)F)s1 ZINC000892124957 1024874948 /nfs/dbraw/zinc/87/49/48/1024874948.db2.gz FNJPUZCQOWRCOL-UHFFFAOYSA-N 1 2 348.390 3.798 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(F)c(F)cc2F)cc(OC)c1 ZINC000508056106 1024875379 /nfs/dbraw/zinc/87/53/79/1024875379.db2.gz YRLLQGJVSSWIKY-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(F)c(F)cc2F)cc(OC)c1 ZINC000508056106 1024875400 /nfs/dbraw/zinc/87/54/00/1024875400.db2.gz YRLLQGJVSSWIKY-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COC(=O)C(C)(C)CC[NH2+]c1ccc(N2CCSCC2)cc1C ZINC000474393639 1024878630 /nfs/dbraw/zinc/87/86/30/1024878630.db2.gz YVLVUKKEKCZCJX-UHFFFAOYSA-N 1 2 336.501 3.549 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000895837866 1024882626 /nfs/dbraw/zinc/88/26/26/1024882626.db2.gz QSMBQJCYAADXAV-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000895837866 1024882639 /nfs/dbraw/zinc/88/26/39/1024882639.db2.gz QSMBQJCYAADXAV-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000431573503 1033242986 /nfs/dbraw/zinc/24/29/86/1033242986.db2.gz AXLPCKKZBVFQDJ-XMMPIXPASA-N 1 2 338.476 3.997 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)o1 ZINC000342324727 1024891619 /nfs/dbraw/zinc/89/16/19/1024891619.db2.gz JDEHLVAHXMCEBT-UWVGGRQHSA-N 1 2 329.322 3.942 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327652 1024902819 /nfs/dbraw/zinc/90/28/19/1024902819.db2.gz JGYWFMSSOHOEKL-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327652 1024902831 /nfs/dbraw/zinc/90/28/31/1024902831.db2.gz JGYWFMSSOHOEKL-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)o1 ZINC000346593041 1024906547 /nfs/dbraw/zinc/90/65/47/1024906547.db2.gz MPOQQVFQDQJSOF-GOEBONIOSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)o1 ZINC000346593041 1024906551 /nfs/dbraw/zinc/90/65/51/1024906551.db2.gz MPOQQVFQDQJSOF-GOEBONIOSA-N 1 2 326.440 3.776 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761052432 1033245397 /nfs/dbraw/zinc/24/53/97/1033245397.db2.gz OIDXMHFDAGNOLG-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761052432 1033245410 /nfs/dbraw/zinc/24/54/10/1033245410.db2.gz OIDXMHFDAGNOLG-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO CCCOc1ccc([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1OC ZINC000514942425 1024918297 /nfs/dbraw/zinc/91/82/97/1024918297.db2.gz ZDBHSTARSOIKAW-LSDHHAIUSA-N 1 2 345.443 3.509 20 0 EHADLO Cc1cc(C)c2cc(N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000895875492 1024923659 /nfs/dbraw/zinc/92/36/59/1024923659.db2.gz IHIGKUYVDPEEHC-ZBFHGGJFSA-N 1 2 332.469 3.619 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccsc1 ZINC000157456418 1024923802 /nfs/dbraw/zinc/92/38/02/1024923802.db2.gz XKJGLTNDMLQDLL-UHFFFAOYSA-N 1 2 344.484 3.914 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157506940 1024927160 /nfs/dbraw/zinc/92/71/60/1024927160.db2.gz AUJNDABFYFQMPV-GFCCVEGCSA-N 1 2 333.505 3.744 20 0 EHADLO CC(C)[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1ccccc1F ZINC000346599682 1024937850 /nfs/dbraw/zinc/93/78/50/1024937850.db2.gz AKJCBJVIBVWVPQ-HNNXBMFYSA-N 1 2 332.463 3.826 20 0 EHADLO CC(C)[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1ccccc1F ZINC000346599682 1024937857 /nfs/dbraw/zinc/93/78/57/1024937857.db2.gz AKJCBJVIBVWVPQ-HNNXBMFYSA-N 1 2 332.463 3.826 20 0 EHADLO CCc1nn(C)cc1C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346612131 1024953504 /nfs/dbraw/zinc/95/35/04/1024953504.db2.gz SKEWPSOBQYKWBJ-LJQANCHMSA-N 1 2 342.393 3.535 20 0 EHADLO COc1cc(/C=C/C(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1 ZINC000097040341 1024968762 /nfs/dbraw/zinc/96/87/62/1024968762.db2.gz KSVYCJYJDGXJDW-VOTSOKGWSA-N 1 2 326.396 3.676 20 0 EHADLO Cn1c2ccccc2[nH+]c1NCc1nc2cc(Cl)ccc2s1 ZINC000536503423 1024992081 /nfs/dbraw/zinc/99/20/81/1024992081.db2.gz XBJMPLGAOIAWIH-UHFFFAOYSA-N 1 2 328.828 3.870 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1C(F)F ZINC000895938615 1024995930 /nfs/dbraw/zinc/99/59/30/1024995930.db2.gz ANQMUMYMQHSXQD-GFCCVEGCSA-N 1 2 327.268 3.917 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1C(F)F ZINC000895938615 1024995938 /nfs/dbraw/zinc/99/59/38/1024995938.db2.gz ANQMUMYMQHSXQD-GFCCVEGCSA-N 1 2 327.268 3.917 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@@H](C)c3nccnc3C)n2)c1 ZINC000895941276 1024997623 /nfs/dbraw/zinc/99/76/23/1024997623.db2.gz BQIAZLJQCREPQR-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC(c3ncc(C)s3)CC2)cs1 ZINC000277410386 1025008782 /nfs/dbraw/zinc/00/87/82/1025008782.db2.gz JMRRPSLGLILGPT-LBPRGKRZSA-N 1 2 337.514 3.995 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375661202 1025009814 /nfs/dbraw/zinc/00/98/14/1025009814.db2.gz TZSNTBKDXWVEKW-HNNXBMFYSA-N 1 2 340.423 3.713 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000375661202 1025009824 /nfs/dbraw/zinc/00/98/24/1025009824.db2.gz TZSNTBKDXWVEKW-HNNXBMFYSA-N 1 2 340.423 3.713 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](C)CC)[C@H](C)C1 ZINC000508333969 1025038750 /nfs/dbraw/zinc/03/87/50/1025038750.db2.gz OUNZLPPMCFJRBU-IAGOWNOFSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](C)CC)[C@H](C)C1 ZINC000508333969 1025038766 /nfs/dbraw/zinc/03/87/66/1025038766.db2.gz OUNZLPPMCFJRBU-IAGOWNOFSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](C)CC)[C@@H](C)C1 ZINC000508333972 1025038964 /nfs/dbraw/zinc/03/89/64/1025038964.db2.gz OUNZLPPMCFJRBU-SJORKVTESA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](C)CC)[C@@H](C)C1 ZINC000508333972 1025038974 /nfs/dbraw/zinc/03/89/74/1025038974.db2.gz OUNZLPPMCFJRBU-SJORKVTESA-N 1 2 332.488 3.554 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2cnc(C)cn2)c(SC)cc1OC ZINC000428207330 1025045019 /nfs/dbraw/zinc/04/50/19/1025045019.db2.gz ABVUDACXAUIFRD-CYBMUJFWSA-N 1 2 347.484 3.717 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2cnc(C)cn2)c(SC)cc1OC ZINC000428207330 1025045029 /nfs/dbraw/zinc/04/50/29/1025045029.db2.gz ABVUDACXAUIFRD-CYBMUJFWSA-N 1 2 347.484 3.717 20 0 EHADLO CC(C)Cn1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000896019972 1025081433 /nfs/dbraw/zinc/08/14/33/1025081433.db2.gz KDUKMLKINFFKKZ-UHFFFAOYSA-N 1 2 348.410 3.501 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761052317 1033259559 /nfs/dbraw/zinc/25/95/59/1033259559.db2.gz XGKQBVLGXCYAJI-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761052317 1033259574 /nfs/dbraw/zinc/25/95/74/1033259574.db2.gz XGKQBVLGXCYAJI-QWRGUYRKSA-N 1 2 332.391 3.620 20 0 EHADLO FC1(F)CC[C@H](c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)C1 ZINC000281516889 1025119883 /nfs/dbraw/zinc/11/98/83/1025119883.db2.gz VIDOUIZCVHBFQZ-AWEZNQCLSA-N 1 2 330.338 3.884 20 0 EHADLO FCCn1ncnc1C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000281520358 1025123970 /nfs/dbraw/zinc/12/39/70/1025123970.db2.gz USDIRRBPZXRFHH-DOJUMQAQSA-N 1 2 328.435 3.706 20 0 EHADLO FCCn1ncnc1C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000281520358 1025123975 /nfs/dbraw/zinc/12/39/75/1025123975.db2.gz USDIRRBPZXRFHH-DOJUMQAQSA-N 1 2 328.435 3.706 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccsc1 ZINC000342379842 1025125771 /nfs/dbraw/zinc/12/57/71/1025125771.db2.gz SGCNBGPNYOQNKV-GJZGRUSLSA-N 1 2 346.471 3.896 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc(F)c1 ZINC000665271088 1025135642 /nfs/dbraw/zinc/13/56/42/1025135642.db2.gz GYBRLLNUCLWAOT-OALUTQOASA-N 1 2 336.414 3.508 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000520953722 1025137710 /nfs/dbraw/zinc/13/77/10/1025137710.db2.gz VOGGZZFPOMIDCX-FQEVSTJZSA-N 1 2 331.419 3.575 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000152083026 1025154635 /nfs/dbraw/zinc/15/46/35/1025154635.db2.gz FDHFDYVRBRVMPZ-CHWSQXEVSA-N 1 2 347.821 3.596 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000521037302 1025177069 /nfs/dbraw/zinc/17/70/69/1025177069.db2.gz DBAAYOSIAWNKMQ-UHFFFAOYSA-N 1 2 332.451 3.746 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000342393479 1025178004 /nfs/dbraw/zinc/17/80/04/1025178004.db2.gz JZBAPWYFOQMAJL-HNNXBMFYSA-N 1 2 344.405 3.792 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC(C)C)CC2)c(F)c1 ZINC000054326777 1025213066 /nfs/dbraw/zinc/21/30/66/1025213066.db2.gz PUVFPLKMGVUQHP-HNNXBMFYSA-N 1 2 336.451 3.598 20 0 EHADLO C[C@@H]1CCCC[C@H]1c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000546393203 1025223122 /nfs/dbraw/zinc/22/31/22/1025223122.db2.gz BQRVKUTZFISRKR-NXHRZFHOSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@@H]1CCCC[C@H]1c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000546393203 1025223131 /nfs/dbraw/zinc/22/31/31/1025223131.db2.gz BQRVKUTZFISRKR-NXHRZFHOSA-N 1 2 341.455 3.937 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657330365 1025226885 /nfs/dbraw/zinc/22/68/85/1025226885.db2.gz PIVVGGYHYKBPDF-UHFFFAOYSA-N 1 2 340.345 3.901 20 0 EHADLO C[NH+](C)[C@H](CNc1ccnc2cc(F)cnc21)c1c(F)cccc1F ZINC000342407925 1025231868 /nfs/dbraw/zinc/23/18/68/1025231868.db2.gz MWYZWOPPNAEAJA-MRXNPFEDSA-N 1 2 346.356 3.762 20 0 EHADLO Oc1cccc(/C=C/c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000435955576 1025238325 /nfs/dbraw/zinc/23/83/25/1025238325.db2.gz QEYRSQZVLQUPIM-BQYQJAHWSA-N 1 2 330.347 3.798 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000346879548 1025250466 /nfs/dbraw/zinc/25/04/66/1025250466.db2.gz IUFZDFKYEJJPQB-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO C[C@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)CC(C)(C)C ZINC000190983224 1025264522 /nfs/dbraw/zinc/26/45/22/1025264522.db2.gz HNOBRPRQEFKIJM-IAGOWNOFSA-N 1 2 348.535 3.847 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)no1 ZINC000896239022 1025279600 /nfs/dbraw/zinc/27/96/00/1025279600.db2.gz ZQPNCBQIESFEES-SNVBAGLBSA-N 1 2 329.297 3.525 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)no1 ZINC000896239022 1025279613 /nfs/dbraw/zinc/27/96/13/1025279613.db2.gz ZQPNCBQIESFEES-SNVBAGLBSA-N 1 2 329.297 3.525 20 0 EHADLO CC1(C)C[NH+](CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000521270662 1025307240 /nfs/dbraw/zinc/30/72/40/1025307240.db2.gz QUWKDBURZVIUIV-MRXNPFEDSA-N 1 2 340.389 3.615 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH]nc1-c1ccccc1 ZINC000436030636 1025314330 /nfs/dbraw/zinc/31/43/30/1025314330.db2.gz VVYXNZBPFGQAHU-UHFFFAOYSA-N 1 2 335.386 3.619 20 0 EHADLO FC(F)(F)C1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000505745877 1025323761 /nfs/dbraw/zinc/32/37/61/1025323761.db2.gz PFCVVWINIAZUFM-UHFFFAOYSA-N 1 2 333.317 3.570 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccco1 ZINC000657342484 1025326484 /nfs/dbraw/zinc/32/64/84/1025326484.db2.gz ZRIBDJLSPXXPHD-CYBMUJFWSA-N 1 2 345.365 3.535 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000346951332 1025344654 /nfs/dbraw/zinc/34/46/54/1025344654.db2.gz XOEPFBCHIVIKMT-UHFFFAOYSA-N 1 2 342.708 3.733 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC000346949886 1025345421 /nfs/dbraw/zinc/34/54/21/1025345421.db2.gz WDXROZGSVOKFFX-UHFFFAOYSA-N 1 2 339.786 3.709 20 0 EHADLO CC1(C)Cc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2O1 ZINC000346956325 1025348607 /nfs/dbraw/zinc/34/86/07/1025348607.db2.gz BLUGZFGTMXCPBB-UHFFFAOYSA-N 1 2 347.418 3.897 20 0 EHADLO COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000521381937 1025355488 /nfs/dbraw/zinc/35/54/88/1025355488.db2.gz IJRJMGLFNMATDD-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Cl ZINC000152671449 1025378827 /nfs/dbraw/zinc/37/88/27/1025378827.db2.gz AUVYFEQFHPIGMG-CXAGYDPISA-N 1 2 331.847 3.612 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C(F)F)c1 ZINC000521460677 1025398139 /nfs/dbraw/zinc/39/81/39/1025398139.db2.gz JBWXHYWJOBBELJ-QRTARXTBSA-N 1 2 327.415 3.921 20 0 EHADLO C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000521490238 1025417758 /nfs/dbraw/zinc/41/77/58/1025417758.db2.gz OJGFNOKEJTWZKU-IAGOWNOFSA-N 1 2 344.499 3.573 20 0 EHADLO FC(F)(F)[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CCS1 ZINC000896454467 1025445359 /nfs/dbraw/zinc/44/53/59/1025445359.db2.gz ZCUWRALLLKMEMR-LBPRGKRZSA-N 1 2 345.415 3.685 20 0 EHADLO FC(F)(F)[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CCS1 ZINC000896454467 1025445367 /nfs/dbraw/zinc/44/53/67/1025445367.db2.gz ZCUWRALLLKMEMR-LBPRGKRZSA-N 1 2 345.415 3.685 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)[C@@H]1C ZINC000522470865 1025450062 /nfs/dbraw/zinc/45/00/62/1025450062.db2.gz RNFLDUSSFVBERY-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)[C@@H]1C ZINC000522470865 1025450071 /nfs/dbraw/zinc/45/00/71/1025450071.db2.gz RNFLDUSSFVBERY-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000347055704 1025451203 /nfs/dbraw/zinc/45/12/03/1025451203.db2.gz NQUBHAOIPDVEQE-LJQANCHMSA-N 1 2 349.400 3.768 20 0 EHADLO COc1cccc2c(NC[C@@H](CO)Cc3ccc(F)cc3)cc[nH+]c12 ZINC000436196200 1025467156 /nfs/dbraw/zinc/46/71/56/1025467156.db2.gz UMAWRVOSGPYRHB-HNNXBMFYSA-N 1 2 340.398 3.646 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000451047858 1025467423 /nfs/dbraw/zinc/46/74/23/1025467423.db2.gz XVEXUPHATIIDIO-HOCLYGCPSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000451047858 1025467430 /nfs/dbraw/zinc/46/74/30/1025467430.db2.gz XVEXUPHATIIDIO-HOCLYGCPSA-N 1 2 337.847 3.516 20 0 EHADLO Clc1cnc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC000934331945 1025478572 /nfs/dbraw/zinc/47/85/72/1025478572.db2.gz GNRAVMVMNHEHJL-SNVBAGLBSA-N 1 2 328.268 3.910 20 0 EHADLO Clc1cnc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC000934331945 1025478580 /nfs/dbraw/zinc/47/85/80/1025478580.db2.gz GNRAVMVMNHEHJL-SNVBAGLBSA-N 1 2 328.268 3.910 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)c2ccccn2)cc1 ZINC000657362912 1025481935 /nfs/dbraw/zinc/48/19/35/1025481935.db2.gz KCLPPYGOWQOQRR-OAQYLSRUSA-N 1 2 332.451 3.606 20 0 EHADLO Cn1ccc(C2CC[NH+](Cc3ccnc(Cl)c3Cl)CC2)n1 ZINC000896494241 1025498711 /nfs/dbraw/zinc/49/87/11/1025498711.db2.gz FLNPRAADSSKBRX-UHFFFAOYSA-N 1 2 325.243 3.502 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1C1CC1)CCO2 ZINC000896531058 1025519369 /nfs/dbraw/zinc/51/93/69/1025519369.db2.gz JFUGDZUXAMULKN-AWEZNQCLSA-N 1 2 348.244 3.594 20 0 EHADLO C[C@H]1CN(c2ccc(NC3CCC(C(F)F)CC3)c[nH+]2)C[C@H](C)O1 ZINC000442850272 1025520625 /nfs/dbraw/zinc/52/06/25/1025520625.db2.gz OYXWRTCSEXJJRO-HESLUPGFSA-N 1 2 339.430 3.931 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442895403 1025577811 /nfs/dbraw/zinc/57/78/11/1025577811.db2.gz UTVBGOGHGFCXMM-UHFFFAOYSA-N 1 2 332.488 3.812 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467343581 1025587926 /nfs/dbraw/zinc/58/79/26/1025587926.db2.gz DLPKANUYBYLSIH-GBESFXJTSA-N 1 2 344.499 3.839 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C2CC2)cc1Cl ZINC000655384123 1025609639 /nfs/dbraw/zinc/60/96/39/1025609639.db2.gz LQJCLFLODBJVKC-GFCCVEGCSA-N 1 2 345.830 3.624 20 0 EHADLO CCSCCCc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000347170951 1025611895 /nfs/dbraw/zinc/61/18/95/1025611895.db2.gz JXLFEKXCLRNVKT-UHFFFAOYSA-N 1 2 328.441 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc3ccncc31)C2 ZINC000530299602 1025612055 /nfs/dbraw/zinc/61/20/55/1025612055.db2.gz WDFQORSHKPDQGZ-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc3ccncc31)CC2 ZINC000530299602 1025612070 /nfs/dbraw/zinc/61/20/70/1025612070.db2.gz WDFQORSHKPDQGZ-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451158188 1025612091 /nfs/dbraw/zinc/61/20/91/1025612091.db2.gz KCIFAOGFUANBRE-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451158188 1025612100 /nfs/dbraw/zinc/61/21/00/1025612100.db2.gz KCIFAOGFUANBRE-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000179185662 1025649115 /nfs/dbraw/zinc/64/91/15/1025649115.db2.gz YRNXQCISZHDIOR-UXBLZVDNSA-N 1 2 337.467 3.540 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193694 1025665494 /nfs/dbraw/zinc/66/54/94/1025665494.db2.gz UZSUOFPYDNWTRS-IUODEOHRSA-N 1 2 345.245 3.701 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193694 1025665504 /nfs/dbraw/zinc/66/55/04/1025665504.db2.gz UZSUOFPYDNWTRS-IUODEOHRSA-N 1 2 345.245 3.701 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cnc(-c3ccco3)s2)cn1 ZINC000443067092 1025685739 /nfs/dbraw/zinc/68/57/39/1025685739.db2.gz LDCGVSZVJINPKV-UHFFFAOYSA-N 1 2 328.441 3.949 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cnc(-c3ccco3)s2)cn1 ZINC000443067092 1025685745 /nfs/dbraw/zinc/68/57/45/1025685745.db2.gz LDCGVSZVJINPKV-UHFFFAOYSA-N 1 2 328.441 3.949 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2cncc(Br)c2)s1 ZINC000515869482 1025692147 /nfs/dbraw/zinc/69/21/47/1025692147.db2.gz BUUBTNXYVQOVPC-VIFPVBQESA-N 1 2 326.263 3.714 20 0 EHADLO C/C(=C\c1ccccc1)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000436414810 1025693004 /nfs/dbraw/zinc/69/30/04/1025693004.db2.gz PVYNWIHNLUQVGK-MHWRWJLKSA-N 1 2 336.414 3.659 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1C ZINC000521845000 1025716260 /nfs/dbraw/zinc/71/62/60/1025716260.db2.gz FNDONPFEUQVRGS-UHFFFAOYSA-N 1 2 337.423 3.769 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000081316424 1025726221 /nfs/dbraw/zinc/72/62/21/1025726221.db2.gz JGBKIFNZFLIIAH-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000443098637 1025727569 /nfs/dbraw/zinc/72/75/69/1025727569.db2.gz AZMQPDJCBKGFAR-RDJZCZTQSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000521867994 1025742963 /nfs/dbraw/zinc/74/29/63/1025742963.db2.gz XPBDHTNMUICXQV-GOSISDBHSA-N 1 2 334.822 3.799 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000521867994 1025742975 /nfs/dbraw/zinc/74/29/75/1025742975.db2.gz XPBDHTNMUICXQV-GOSISDBHSA-N 1 2 334.822 3.799 20 0 EHADLO COCCC1(c2noc(-c3ccn4c(C)c[nH+]c4c3)n2)CCCC1 ZINC000896622858 1025751428 /nfs/dbraw/zinc/75/14/28/1025751428.db2.gz IIHMMSONTBILIW-UHFFFAOYSA-N 1 2 326.400 3.541 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482731 1025760384 /nfs/dbraw/zinc/76/03/84/1025760384.db2.gz BGEAIZPGXPHNCT-RIFZZMRRSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482731 1025760399 /nfs/dbraw/zinc/76/03/99/1025760399.db2.gz BGEAIZPGXPHNCT-RIFZZMRRSA-N 1 2 345.870 3.705 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2csc(C(C)C)n2)c(C)[nH+]1 ZINC000436491135 1025773994 /nfs/dbraw/zinc/77/39/94/1025773994.db2.gz HQWCNZHVIHZGON-UHFFFAOYSA-N 1 2 332.473 3.951 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)COCc1ccccc1 ZINC000521935509 1025787154 /nfs/dbraw/zinc/78/71/54/1025787154.db2.gz UBNWNAUUJYWBMQ-QGZVFWFLSA-N 1 2 340.471 3.732 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)COCc1ccccc1 ZINC000521935509 1025787169 /nfs/dbraw/zinc/78/71/69/1025787169.db2.gz UBNWNAUUJYWBMQ-QGZVFWFLSA-N 1 2 340.471 3.732 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000515964417 1025798742 /nfs/dbraw/zinc/79/87/42/1025798742.db2.gz NJLCNYJIGYDMMQ-KDOFPFPSSA-N 1 2 335.407 3.578 20 0 EHADLO Cc1ccccc1[C@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586095958 1025827862 /nfs/dbraw/zinc/82/78/62/1025827862.db2.gz PLIJOEGHIQABSO-FQEVSTJZSA-N 1 2 349.478 3.510 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451359209 1025865964 /nfs/dbraw/zinc/86/59/64/1025865964.db2.gz VSOKGJMDPLOUOU-PSLIRLAXSA-N 1 2 339.798 3.810 20 0 EHADLO C[C@@H](Cc1ccsc1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000324459938 1025890448 /nfs/dbraw/zinc/89/04/48/1025890448.db2.gz CJUNWNATKPVRBP-ZDUSSCGKSA-N 1 2 335.436 3.920 20 0 EHADLO CCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(OCCC)c1 ZINC000896910404 1025931976 /nfs/dbraw/zinc/93/19/76/1025931976.db2.gz OSRNGLMYDUHFEG-UHFFFAOYSA-N 1 2 345.443 3.534 20 0 EHADLO Cc1nc(N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000896769611 1025989797 /nfs/dbraw/zinc/98/97/97/1025989797.db2.gz DPGRXBMWKWHGGE-UHFFFAOYSA-N 1 2 348.491 3.552 20 0 EHADLO c1nc(-c2ccc(NCc3c[nH+]c4n3CCC4)cc2)n2c1CCCC2 ZINC000657406579 1026033213 /nfs/dbraw/zinc/03/32/13/1026033213.db2.gz GCSOUFOSDIDSMN-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO CN(Cc1nccn1C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443440058 1026043260 /nfs/dbraw/zinc/04/32/60/1026043260.db2.gz RMCLTBXYQWNREZ-UHFFFAOYSA-N 1 2 349.207 3.506 20 0 EHADLO COc1cc(OC)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(OC)c1 ZINC000443794237 1026059225 /nfs/dbraw/zinc/05/92/25/1026059225.db2.gz ZAXJCTGQLCDUDG-UHFFFAOYSA-N 1 2 349.471 3.636 20 0 EHADLO COc1cc(OC)c(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(OC)c1 ZINC000443794237 1026059244 /nfs/dbraw/zinc/05/92/44/1026059244.db2.gz ZAXJCTGQLCDUDG-UHFFFAOYSA-N 1 2 349.471 3.636 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)Cc2ccsc2)c1 ZINC000530569434 1026069869 /nfs/dbraw/zinc/06/98/69/1026069869.db2.gz YIPAVUCHKZNVAR-CQSZACIVSA-N 1 2 325.437 3.603 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2nc3ccccc3n3cncc23)[nH+]c1C ZINC000895195900 1026094944 /nfs/dbraw/zinc/09/49/44/1026094944.db2.gz FZLLFLPAEOPRBR-INIZCTEOSA-N 1 2 332.411 3.564 20 0 EHADLO Cc1c[nH]c(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)n1 ZINC000896939009 1026126742 /nfs/dbraw/zinc/12/67/42/1026126742.db2.gz YNLZBQKVGQWASX-AWEZNQCLSA-N 1 2 343.818 3.759 20 0 EHADLO Cc1c[nH]c(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)n1 ZINC000896939009 1026126747 /nfs/dbraw/zinc/12/67/47/1026126747.db2.gz YNLZBQKVGQWASX-AWEZNQCLSA-N 1 2 343.818 3.759 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(F)cc1 ZINC000516211479 1026139746 /nfs/dbraw/zinc/13/97/46/1026139746.db2.gz XZJAHCCHVGDPTG-HXUWFJFHSA-N 1 2 344.430 3.680 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(F)cc1 ZINC000516211479 1026139748 /nfs/dbraw/zinc/13/97/48/1026139748.db2.gz XZJAHCCHVGDPTG-HXUWFJFHSA-N 1 2 344.430 3.680 20 0 EHADLO CC(C)(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000896984777 1026205912 /nfs/dbraw/zinc/20/59/12/1026205912.db2.gz OMVHRMLSXKZFLC-UHFFFAOYSA-N 1 2 332.492 3.521 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nnc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000451698125 1026217271 /nfs/dbraw/zinc/21/72/71/1026217271.db2.gz YFXGBULKIFXSFM-CYBMUJFWSA-N 1 2 345.390 3.733 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)c2cc(C)n(C)c2C)s1 ZINC000530777857 1026287918 /nfs/dbraw/zinc/28/79/18/1026287918.db2.gz NXENANREXWQVAS-AWEZNQCLSA-N 1 2 333.501 3.845 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)c2cc(C)n(C)c2C)s1 ZINC000530777857 1026287927 /nfs/dbraw/zinc/28/79/27/1026287927.db2.gz NXENANREXWQVAS-AWEZNQCLSA-N 1 2 333.501 3.845 20 0 EHADLO CNc1nc(N2CC[C@@H]3CC[C@@]32c2cccnc2)[nH+]c2ccccc21 ZINC000897070306 1026296362 /nfs/dbraw/zinc/29/63/62/1026296362.db2.gz DEIMKAMAPWBJCB-XOBRGWDASA-N 1 2 331.423 3.582 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451847089 1026340913 /nfs/dbraw/zinc/34/09/13/1026340913.db2.gz XPSGLBMYIYEHQZ-APWZRJJASA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451847089 1026340926 /nfs/dbraw/zinc/34/09/26/1026340926.db2.gz XPSGLBMYIYEHQZ-APWZRJJASA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCCOC(C)C)c(C)c1 ZINC000342580270 1026344540 /nfs/dbraw/zinc/34/45/40/1026344540.db2.gz DNMXDKXKVWLESZ-IBGZPJMESA-N 1 2 343.471 3.563 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1C ZINC000451959808 1026397087 /nfs/dbraw/zinc/39/70/87/1026397087.db2.gz NWPNUQOPHSCPQI-UHFFFAOYSA-N 1 2 348.441 3.671 20 0 EHADLO CCc1nc(C)c(C[N@H+](CCOC)Cc2ccc(F)c(Cl)c2)o1 ZINC000451976369 1026432011 /nfs/dbraw/zinc/43/20/11/1026432011.db2.gz MONTWOBBLSDQDR-UHFFFAOYSA-N 1 2 340.826 3.987 20 0 EHADLO CCc1nc(C)c(C[N@@H+](CCOC)Cc2ccc(F)c(Cl)c2)o1 ZINC000451976369 1026432019 /nfs/dbraw/zinc/43/20/19/1026432019.db2.gz MONTWOBBLSDQDR-UHFFFAOYSA-N 1 2 340.826 3.987 20 0 EHADLO C[C@@H]1CC[C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000475293703 1026436782 /nfs/dbraw/zinc/43/67/82/1026436782.db2.gz AYSSKTGENLMPSA-AEFFLSMTSA-N 1 2 332.492 3.521 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167895161 1026507015 /nfs/dbraw/zinc/50/70/15/1026507015.db2.gz NSDLLYOBAVFRFA-GUYCJALGSA-N 1 2 341.459 3.546 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccoc1 ZINC000342627123 1026509286 /nfs/dbraw/zinc/50/92/86/1026509286.db2.gz BJPRQTHRASSBLR-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccoc1 ZINC000342627123 1026509293 /nfs/dbraw/zinc/50/92/93/1026509293.db2.gz BJPRQTHRASSBLR-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582549764 1026547262 /nfs/dbraw/zinc/54/72/62/1026547262.db2.gz JGRBVLZDXHKCQV-DZGCQCFKSA-N 1 2 339.361 3.953 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccoc1 ZINC000342642666 1026552184 /nfs/dbraw/zinc/55/21/84/1026552184.db2.gz RJQXVIWBPHNPDG-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccoc1 ZINC000342642666 1026552190 /nfs/dbraw/zinc/55/21/90/1026552190.db2.gz RJQXVIWBPHNPDG-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c(C)c1OC ZINC000897244675 1026563501 /nfs/dbraw/zinc/56/35/01/1026563501.db2.gz KZXWJTMXOFXARD-UHFFFAOYSA-N 1 2 346.374 3.777 20 0 EHADLO CC(C)(CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000452208907 1026575620 /nfs/dbraw/zinc/57/56/20/1026575620.db2.gz QIZXYQMRUCOVMA-UHFFFAOYSA-N 1 2 331.847 3.968 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccc(F)cc2F)c1C ZINC000051755065 1026584744 /nfs/dbraw/zinc/58/47/44/1026584744.db2.gz YKCJEPPYRWWYJQ-GFCCVEGCSA-N 1 2 349.381 3.546 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531111743 1026585299 /nfs/dbraw/zinc/58/52/99/1026585299.db2.gz YALPFFWXWMPWTB-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccc(Br)cc1 ZINC000639561248 1026587150 /nfs/dbraw/zinc/58/71/50/1026587150.db2.gz LTAITJORKZFFQW-SNVBAGLBSA-N 1 2 336.233 3.635 20 0 EHADLO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000665625418 1026610491 /nfs/dbraw/zinc/61/04/91/1026610491.db2.gz CIZLLUTVJLGRJV-RKVPGOIHSA-N 1 2 345.487 3.606 20 0 EHADLO COc1ccc(CCCNc2cc(C(F)(F)F)cc[nH+]2)cc1OC ZINC000531170741 1026647166 /nfs/dbraw/zinc/64/71/66/1026647166.db2.gz ULSFUDOWYLXJMX-UHFFFAOYSA-N 1 2 340.345 3.584 20 0 EHADLO O=C(CCSc1ccccc1Cl)Nc1c[nH+]c2n1CCCC2 ZINC000452331474 1026663094 /nfs/dbraw/zinc/66/30/94/1026663094.db2.gz DFPLEBGUOORVJF-UHFFFAOYSA-N 1 2 335.860 3.994 20 0 EHADLO CC[C@@H](CC(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(OC)cc1 ZINC000452331916 1026664874 /nfs/dbraw/zinc/66/48/74/1026664874.db2.gz FYZFTZREZAUYGD-AWEZNQCLSA-N 1 2 327.428 3.750 20 0 EHADLO COc1cc(OC)c(CNc2cc(C)[nH+]c(C(C)C)n2)c(OC)c1 ZINC000301109800 1026689990 /nfs/dbraw/zinc/68/99/90/1026689990.db2.gz UPGCETAFGJCWOZ-UHFFFAOYSA-N 1 2 331.416 3.546 20 0 EHADLO Brc1cccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000301123431 1026692725 /nfs/dbraw/zinc/69/27/25/1026692725.db2.gz ZRRDXKXLPILXQN-ZDUSSCGKSA-N 1 2 332.245 3.783 20 0 EHADLO Brc1cccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000301123430 1026694082 /nfs/dbraw/zinc/69/40/82/1026694082.db2.gz ZRRDXKXLPILXQN-CYBMUJFWSA-N 1 2 332.245 3.783 20 0 EHADLO CO[C@H](CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccc(F)cc1 ZINC000301428287 1026801900 /nfs/dbraw/zinc/80/19/00/1026801900.db2.gz MWMFDGNAQLZAFF-RHSMWYFYSA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccc(F)cc1 ZINC000301428287 1026801909 /nfs/dbraw/zinc/80/19/09/1026801909.db2.gz MWMFDGNAQLZAFF-RHSMWYFYSA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@@H](CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccc(F)cc1 ZINC000301428290 1026802430 /nfs/dbraw/zinc/80/24/30/1026802430.db2.gz MWMFDGNAQLZAFF-YOEHRIQHSA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@@H](CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccc(F)cc1 ZINC000301428290 1026802441 /nfs/dbraw/zinc/80/24/41/1026802441.db2.gz MWMFDGNAQLZAFF-YOEHRIQHSA-N 1 2 344.434 3.652 20 0 EHADLO C[C@@H]([C@H](C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CCCCC1 ZINC000301481087 1026822862 /nfs/dbraw/zinc/82/28/62/1026822862.db2.gz DRPZGYPUXPERRK-ULQDDVLXSA-N 1 2 346.519 3.702 20 0 EHADLO C[C@@H]([C@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000301481087 1026822874 /nfs/dbraw/zinc/82/28/74/1026822874.db2.gz DRPZGYPUXPERRK-ULQDDVLXSA-N 1 2 346.519 3.702 20 0 EHADLO Cc1cnc([C@H](Nc2cc(N3CCCCC3)nc[nH+]2)C2CC2)s1 ZINC000301508028 1026832945 /nfs/dbraw/zinc/83/29/45/1026832945.db2.gz DJAUUJATCNFNCL-MRXNPFEDSA-N 1 2 329.473 3.795 20 0 EHADLO Cc1cnc([C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C2CC2)s1 ZINC000301508028 1026832951 /nfs/dbraw/zinc/83/29/51/1026832951.db2.gz DJAUUJATCNFNCL-MRXNPFEDSA-N 1 2 329.473 3.795 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(Cl)c2)CC1 ZINC000301631035 1026880903 /nfs/dbraw/zinc/88/09/03/1026880903.db2.gz SXKLCIJBSNMVPR-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO CC(C)c1nnc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000301707651 1026910169 /nfs/dbraw/zinc/91/01/69/1026910169.db2.gz CDTPJRUNALEOAK-LBPRGKRZSA-N 1 2 326.416 3.655 20 0 EHADLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ncc1Br ZINC000301816633 1026949046 /nfs/dbraw/zinc/94/90/46/1026949046.db2.gz HIEIQWXYXGQHHC-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO CC(C)c1cc(NCCS(=O)(=O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301813682 1026949393 /nfs/dbraw/zinc/94/93/93/1026949393.db2.gz IDACDOLOIJPZEM-UHFFFAOYSA-N 1 2 347.484 3.609 20 0 EHADLO CC(C)(C)CNC(=O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167599386 1026951759 /nfs/dbraw/zinc/95/17/59/1026951759.db2.gz UGHLQZWYMGEGHX-UHFFFAOYSA-N 1 2 338.442 3.872 20 0 EHADLO CC(C)(C)CNC(=O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167599386 1026951766 /nfs/dbraw/zinc/95/17/66/1026951766.db2.gz UGHLQZWYMGEGHX-UHFFFAOYSA-N 1 2 338.442 3.872 20 0 EHADLO c1nc(N2CCC(OC3CCCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301826636 1026953548 /nfs/dbraw/zinc/95/35/48/1026953548.db2.gz NAKAZGRZBBDTKY-UHFFFAOYSA-N 1 2 330.476 3.617 20 0 EHADLO c1nc(NCC2CC2)cc(N2CCC(OC3CCCCC3)CC2)[nH+]1 ZINC000301826636 1026953552 /nfs/dbraw/zinc/95/35/52/1026953552.db2.gz NAKAZGRZBBDTKY-UHFFFAOYSA-N 1 2 330.476 3.617 20 0 EHADLO C[C@@H](C[C@H](O)c1ccccc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301851376 1026964054 /nfs/dbraw/zinc/96/40/54/1026964054.db2.gz ANBVVIQVQMNETI-BBRMVZONSA-N 1 2 339.443 3.505 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCCOc2ccccc21 ZINC000301856976 1026967474 /nfs/dbraw/zinc/96/74/74/1026967474.db2.gz CJSCERYNLCODEE-HNNXBMFYSA-N 1 2 337.427 3.907 20 0 EHADLO Nc1nc(NCCc2csc(-c3ccccc3)n2)[nH+]c2ccccc12 ZINC000301877407 1026974137 /nfs/dbraw/zinc/97/41/37/1026974137.db2.gz HBVHPVDXDWORKX-UHFFFAOYSA-N 1 2 347.447 3.990 20 0 EHADLO COc1ccc(CN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)cc1C ZINC000301879665 1026976452 /nfs/dbraw/zinc/97/64/52/1026976452.db2.gz JRYLMDGQHOOPMT-UHFFFAOYSA-N 1 2 339.443 3.535 20 0 EHADLO CN(Cc1ccc(Br)s1)c1nc(N)c2ccccc2[nH+]1 ZINC000301882496 1026977614 /nfs/dbraw/zinc/97/76/14/1026977614.db2.gz MXWIWCYONKFTIK-UHFFFAOYSA-N 1 2 349.257 3.672 20 0 EHADLO Nc1nc(N[C@@H](c2cccc(F)c2)c2ccccn2)[nH+]c2ccccc12 ZINC000301884477 1026978484 /nfs/dbraw/zinc/97/84/84/1026978484.db2.gz LOCFJQYIBFNKTH-SFHVURJKSA-N 1 2 345.381 3.948 20 0 EHADLO CC(C)[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccnc1 ZINC000301889134 1026979444 /nfs/dbraw/zinc/97/94/44/1026979444.db2.gz NHDBJWGGBYDOLC-OAHLLOKOSA-N 1 2 338.459 3.828 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000301898227 1026985661 /nfs/dbraw/zinc/98/56/61/1026985661.db2.gz RWDXBTRTOXAVEQ-IINYFYTJSA-N 1 2 343.381 3.828 20 0 EHADLO COc1ccc(OC)c(CN(Cc2[nH+]cc(C)n2C)C(C)(C)C)c1 ZINC000342772542 1026999832 /nfs/dbraw/zinc/99/98/32/1026999832.db2.gz CQFLHXLSUHXCBW-UHFFFAOYSA-N 1 2 331.460 3.546 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccc(OC(F)F)cn1)c1c(F)cccc1F ZINC000301938211 1027000980 /nfs/dbraw/zinc/00/09/80/1027000980.db2.gz RRVLJNQWVOTHIL-ZDUSSCGKSA-N 1 2 343.324 3.676 20 0 EHADLO Cc1c[nH+]c(CN2CCN(Cc3ccccc3)c3ccccc32)n1C ZINC000342777948 1027016707 /nfs/dbraw/zinc/01/67/07/1027016707.db2.gz NHMIRTZSWVVJIU-UHFFFAOYSA-N 1 2 332.451 3.755 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c2c([nH+]1)CCCC2 ZINC000302035146 1027030581 /nfs/dbraw/zinc/03/05/81/1027030581.db2.gz FEMXFTHQQAVJQP-SFHVURJKSA-N 1 2 343.858 3.895 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@H](c4nccs4)C3)nc[nH+]2)C1 ZINC000302074289 1027044634 /nfs/dbraw/zinc/04/46/34/1027044634.db2.gz VODXTMQJOPIVGF-GJZGRUSLSA-N 1 2 343.500 3.553 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@H](c4nccs4)C3)[nH+]cn2)C1 ZINC000302074289 1027044641 /nfs/dbraw/zinc/04/46/41/1027044641.db2.gz VODXTMQJOPIVGF-GJZGRUSLSA-N 1 2 343.500 3.553 20 0 EHADLO CCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531560186 1027046825 /nfs/dbraw/zinc/04/68/25/1027046825.db2.gz MISGBIJBUQBALE-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2cc(F)ccc2o1 ZINC000117791251 1027054269 /nfs/dbraw/zinc/05/42/69/1027054269.db2.gz OYHVLFKMLKVBTM-UHFFFAOYSA-N 1 2 327.359 3.589 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000342792576 1027082279 /nfs/dbraw/zinc/08/22/79/1027082279.db2.gz WUOOFMQIBLPEOK-KPZWWZAWSA-N 1 2 330.407 3.626 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000342792576 1027082288 /nfs/dbraw/zinc/08/22/88/1027082288.db2.gz WUOOFMQIBLPEOK-KPZWWZAWSA-N 1 2 330.407 3.626 20 0 EHADLO CC[N@H+](Cc1nnc(C)n1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123280706 1027083440 /nfs/dbraw/zinc/08/34/40/1027083440.db2.gz DKIFGCJPOXFZBR-NSHDSACASA-N 1 2 326.366 3.725 20 0 EHADLO CC[N@@H+](Cc1nnc(C)n1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123280706 1027083450 /nfs/dbraw/zinc/08/34/50/1027083450.db2.gz DKIFGCJPOXFZBR-NSHDSACASA-N 1 2 326.366 3.725 20 0 EHADLO CC[C@@]1(CO)CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302398814 1027140432 /nfs/dbraw/zinc/14/04/32/1027140432.db2.gz JNKJEHCUSVRRJN-QGZVFWFLSA-N 1 2 349.272 3.986 20 0 EHADLO Cc1c[nH+]c(CN2CCc3sccc3[C@H]2c2cccs2)n1C ZINC000342799025 1027140845 /nfs/dbraw/zinc/14/08/45/1027140845.db2.gz MFGBICQIMSHEKS-KRWDZBQOSA-N 1 2 329.494 3.999 20 0 EHADLO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1C(C)(C)C ZINC000075534526 1027146038 /nfs/dbraw/zinc/14/60/38/1027146038.db2.gz BLPNPUXVTIQTCN-CQSZACIVSA-N 1 2 343.475 3.504 20 0 EHADLO CCc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126119539 1027163204 /nfs/dbraw/zinc/16/32/04/1027163204.db2.gz XVIQTWKBTLDHSU-NSHDSACASA-N 1 2 342.226 3.592 20 0 EHADLO CCc1nnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126119539 1027163210 /nfs/dbraw/zinc/16/32/10/1027163210.db2.gz XVIQTWKBTLDHSU-NSHDSACASA-N 1 2 342.226 3.592 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075554499 1027167559 /nfs/dbraw/zinc/16/75/59/1027167559.db2.gz SJVPVCPQTGXDCT-SFHVURJKSA-N 1 2 325.456 3.557 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126315507 1027188085 /nfs/dbraw/zinc/18/80/85/1027188085.db2.gz ADCJHOJAPCXZTI-WMLDXEAASA-N 1 2 345.874 3.924 20 0 EHADLO Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1C ZINC000272943869 1027189354 /nfs/dbraw/zinc/18/93/54/1027189354.db2.gz SVQWMNCPGJZGGU-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1C ZINC000272943869 1027189360 /nfs/dbraw/zinc/18/93/60/1027189360.db2.gz SVQWMNCPGJZGGU-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO COc1ccc2c(c1)nc(CNc1cc[nH+]c3c(OC)cccc13)n2C ZINC000302553634 1027190953 /nfs/dbraw/zinc/19/09/53/1027190953.db2.gz QZUQHOMWQWFQTJ-UHFFFAOYSA-N 1 2 348.406 3.751 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)cn2c1 ZINC000501318178 1027195380 /nfs/dbraw/zinc/19/53/80/1027195380.db2.gz AYRHRYGGLOBZPH-UKPHBRMFSA-N 1 2 345.512 3.817 20 0 EHADLO CCc1cccc(CC)c1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075986023 1027216100 /nfs/dbraw/zinc/21/61/00/1027216100.db2.gz FSCITLYKRYRNGK-UHFFFAOYSA-N 1 2 340.471 3.708 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126997949 1027260768 /nfs/dbraw/zinc/26/07/68/1027260768.db2.gz YSBBLJQMFASSRJ-UHFFFAOYSA-N 1 2 333.435 3.863 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126997949 1027260778 /nfs/dbraw/zinc/26/07/78/1027260778.db2.gz YSBBLJQMFASSRJ-UHFFFAOYSA-N 1 2 333.435 3.863 20 0 EHADLO c1ccc2c(c1)cccc2NCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302770050 1027281310 /nfs/dbraw/zinc/28/13/10/1027281310.db2.gz BRNGERIVLJIZHK-UHFFFAOYSA-N 1 2 333.439 3.754 20 0 EHADLO c1ccc2c(c1)cccc2NCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302770050 1027281324 /nfs/dbraw/zinc/28/13/24/1027281324.db2.gz BRNGERIVLJIZHK-UHFFFAOYSA-N 1 2 333.439 3.754 20 0 EHADLO CCc1ccc([C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C(C)C)cc1 ZINC000302783408 1027289629 /nfs/dbraw/zinc/28/96/29/1027289629.db2.gz KYFXXZRGDJQWQI-FQEVSTJZSA-N 1 2 340.471 3.685 20 0 EHADLO CCc1ccc([C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C(C)C)cc1 ZINC000302783408 1027289648 /nfs/dbraw/zinc/28/96/48/1027289648.db2.gz KYFXXZRGDJQWQI-FQEVSTJZSA-N 1 2 340.471 3.685 20 0 EHADLO O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127363657 1027301687 /nfs/dbraw/zinc/30/16/87/1027301687.db2.gz SUAQLMFAXDPXKG-UHFFFAOYSA-N 1 2 342.395 3.616 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127555564 1027325603 /nfs/dbraw/zinc/32/56/03/1027325603.db2.gz KTJZEYNEFMJKQJ-MRXNPFEDSA-N 1 2 341.411 3.556 20 0 EHADLO CCOc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccc1OCC(C)C ZINC000657568695 1027328942 /nfs/dbraw/zinc/32/89/42/1027328942.db2.gz KUFOMCJMZXTICR-ZBFHGGJFSA-N 1 2 344.459 3.507 20 0 EHADLO Cc1ccc(OC(F)F)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302871784 1027336141 /nfs/dbraw/zinc/33/61/41/1027336141.db2.gz BVKWOYBMFFTVJN-UHFFFAOYSA-N 1 2 334.370 3.599 20 0 EHADLO Cc1ccc(OC(F)F)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302871784 1027336154 /nfs/dbraw/zinc/33/61/54/1027336154.db2.gz BVKWOYBMFFTVJN-UHFFFAOYSA-N 1 2 334.370 3.599 20 0 EHADLO Cc1c2cc(F)ccc2oc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302889561 1027347097 /nfs/dbraw/zinc/34/70/97/1027347097.db2.gz NGIVFBLZHQBAEC-UHFFFAOYSA-N 1 2 326.375 3.883 20 0 EHADLO Cc1c2cc(F)ccc2oc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302889561 1027347111 /nfs/dbraw/zinc/34/71/11/1027347111.db2.gz NGIVFBLZHQBAEC-UHFFFAOYSA-N 1 2 326.375 3.883 20 0 EHADLO Clc1cc(Cl)c2c(c1)CCN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000302892426 1027347911 /nfs/dbraw/zinc/34/79/11/1027347911.db2.gz ODQGMDZGIJBPTQ-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO Clc1cc(Cl)c2c(c1)CCN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000302892426 1027347929 /nfs/dbraw/zinc/34/79/29/1027347929.db2.gz ODQGMDZGIJBPTQ-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO c1ccc(SC2(CNc3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000302918984 1027361630 /nfs/dbraw/zinc/36/16/30/1027361630.db2.gz YDOKRUNAKIMGIY-UHFFFAOYSA-N 1 2 326.469 3.814 20 0 EHADLO c1ccc(SC2(CNc3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000302918984 1027361651 /nfs/dbraw/zinc/36/16/51/1027361651.db2.gz YDOKRUNAKIMGIY-UHFFFAOYSA-N 1 2 326.469 3.814 20 0 EHADLO CCC(=O)N1CCC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000077387752 1027403663 /nfs/dbraw/zinc/40/36/63/1027403663.db2.gz XCGZNXLNBULWCM-UHFFFAOYSA-N 1 2 343.496 3.563 20 0 EHADLO CCC(=O)N1CCC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000077387752 1027403674 /nfs/dbraw/zinc/40/36/74/1027403674.db2.gz XCGZNXLNBULWCM-UHFFFAOYSA-N 1 2 343.496 3.563 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496416 1027422080 /nfs/dbraw/zinc/42/20/80/1027422080.db2.gz PILFOLJXWJHCIO-DYVFJYSZSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496416 1027422089 /nfs/dbraw/zinc/42/20/89/1027422089.db2.gz PILFOLJXWJHCIO-DYVFJYSZSA-N 1 2 346.833 3.931 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861136 1027450355 /nfs/dbraw/zinc/45/03/55/1027450355.db2.gz UFZJMUINHLASKP-MFKMUULPSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861136 1027450363 /nfs/dbraw/zinc/45/03/63/1027450363.db2.gz UFZJMUINHLASKP-MFKMUULPSA-N 1 2 325.733 3.614 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077728079 1027465514 /nfs/dbraw/zinc/46/55/14/1027465514.db2.gz QGTGPMBXLVKXKD-HNNXBMFYSA-N 1 2 340.427 3.610 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccc(F)c(F)c1 ZINC000188732203 1027482889 /nfs/dbraw/zinc/48/28/89/1027482889.db2.gz MNNMEBOLAGSDKC-CYBMUJFWSA-N 1 2 346.171 3.798 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCCC(F)(F)C1)Cc1ccccc1Cl ZINC000501756628 1027514798 /nfs/dbraw/zinc/51/47/98/1027514798.db2.gz YNKBSIKNQZZEAT-AWEZNQCLSA-N 1 2 344.833 3.856 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCCC(F)(F)C1)Cc1ccccc1Cl ZINC000501756628 1027514813 /nfs/dbraw/zinc/51/48/13/1027514813.db2.gz YNKBSIKNQZZEAT-AWEZNQCLSA-N 1 2 344.833 3.856 20 0 EHADLO C[N@H+](Cc1cncs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119057230 1027572318 /nfs/dbraw/zinc/57/23/18/1027572318.db2.gz VSBMAMSRFOGIQX-UONOGXRCSA-N 1 2 329.252 3.540 20 0 EHADLO C[N@@H+](Cc1cncs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119057230 1027572326 /nfs/dbraw/zinc/57/23/26/1027572326.db2.gz VSBMAMSRFOGIQX-UONOGXRCSA-N 1 2 329.252 3.540 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1cscn1 ZINC000657599733 1027580519 /nfs/dbraw/zinc/58/05/19/1027580519.db2.gz SDRGPNGQGRVHPV-GFCCVEGCSA-N 1 2 332.860 3.892 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C2(CCOC)CCC2)no1)c1ccccc1 ZINC000420514695 1027586280 /nfs/dbraw/zinc/58/62/80/1027586280.db2.gz NLTOEPFOQNLZBW-INIZCTEOSA-N 1 2 329.444 3.569 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C2(CCOC)CCC2)no1)c1ccccc1 ZINC000420514695 1027586294 /nfs/dbraw/zinc/58/62/94/1027586294.db2.gz NLTOEPFOQNLZBW-INIZCTEOSA-N 1 2 329.444 3.569 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1C ZINC000342841832 1027589307 /nfs/dbraw/zinc/58/93/07/1027589307.db2.gz SXFFIXLPYUCNCR-GOSISDBHSA-N 1 2 337.389 3.869 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1C ZINC000342841832 1027589314 /nfs/dbraw/zinc/58/93/14/1027589314.db2.gz SXFFIXLPYUCNCR-GOSISDBHSA-N 1 2 337.389 3.869 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881597 1027594328 /nfs/dbraw/zinc/59/43/28/1027594328.db2.gz VLYLXCUMIRKTNA-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881597 1027594343 /nfs/dbraw/zinc/59/43/43/1027594343.db2.gz VLYLXCUMIRKTNA-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO C[NH+](C)[C@H](c1nc(C2(c3ccccc3F)CC2)no1)c1ccccc1 ZINC000420520281 1027599225 /nfs/dbraw/zinc/59/92/25/1027599225.db2.gz RRHAIQZHPQXEBF-KRWDZBQOSA-N 1 2 337.398 3.940 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2n1 ZINC000129937058 1027620612 /nfs/dbraw/zinc/62/06/12/1027620612.db2.gz JMSCVCZOLNIQQY-KBXCAEBGSA-N 1 2 349.438 3.855 20 0 EHADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130015212 1027627694 /nfs/dbraw/zinc/62/76/94/1027627694.db2.gz YSNZIEVLKPECQQ-UHFFFAOYSA-N 1 2 346.430 3.503 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422202344 1027633917 /nfs/dbraw/zinc/63/39/17/1027633917.db2.gz HLHDFDUQOXDKAJ-MRXNPFEDSA-N 1 2 329.469 3.979 20 0 EHADLO Cc1cc(CNC(=O)N2CC(c3ccc(Cl)cc3)C2)cc(C)[nH+]1 ZINC000422205304 1027636347 /nfs/dbraw/zinc/63/63/47/1027636347.db2.gz JZFSSLSNDJSFTJ-UHFFFAOYSA-N 1 2 329.831 3.661 20 0 EHADLO CCc1cccc(Cl)c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000475566161 1027642195 /nfs/dbraw/zinc/64/21/95/1027642195.db2.gz NTAZCORCAAXFGM-UHFFFAOYSA-N 1 2 335.904 3.677 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)cc1C ZINC000072621650 1027647812 /nfs/dbraw/zinc/64/78/12/1027647812.db2.gz ROCNUOGNMPIPKI-UHFFFAOYSA-N 1 2 326.425 3.652 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C)CCCC3)n2)C1 ZINC000503206385 1027655387 /nfs/dbraw/zinc/65/53/87/1027655387.db2.gz FWCYMHBUQQCWLC-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C)CCCC3)n2)C1 ZINC000503206385 1027655396 /nfs/dbraw/zinc/65/53/96/1027655396.db2.gz FWCYMHBUQQCWLC-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO CCCO[C@H]1CCC[N@H+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000130706218 1027696559 /nfs/dbraw/zinc/69/65/59/1027696559.db2.gz ISOYAPXYHYKFPN-KGLIPLIRSA-N 1 2 327.494 3.665 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000130706218 1027696572 /nfs/dbraw/zinc/69/65/72/1027696572.db2.gz ISOYAPXYHYKFPN-KGLIPLIRSA-N 1 2 327.494 3.665 20 0 EHADLO CC(C)(C)OC(=O)CCCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000503273281 1027698569 /nfs/dbraw/zinc/69/85/69/1027698569.db2.gz CTLIZJPVKOBMJT-UHFFFAOYSA-N 1 2 348.491 3.781 20 0 EHADLO CC(C)(C)OC(=O)CCCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000503273281 1027698577 /nfs/dbraw/zinc/69/85/77/1027698577.db2.gz CTLIZJPVKOBMJT-UHFFFAOYSA-N 1 2 348.491 3.781 20 0 EHADLO CCCC[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000503292546 1027706592 /nfs/dbraw/zinc/70/65/92/1027706592.db2.gz TUTKXTUZKRTLPK-MOPGFXCFSA-N 1 2 346.515 3.562 20 0 EHADLO CCCCn1nnnc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000533352871 1027721430 /nfs/dbraw/zinc/72/14/30/1027721430.db2.gz IHXBMCSOFDGLNV-SFHVURJKSA-N 1 2 325.460 3.515 20 0 EHADLO CCCCn1nnnc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000533352871 1027721435 /nfs/dbraw/zinc/72/14/35/1027721435.db2.gz IHXBMCSOFDGLNV-SFHVURJKSA-N 1 2 325.460 3.515 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc(C)[nH+]1 ZINC000420785919 1027731950 /nfs/dbraw/zinc/73/19/50/1027731950.db2.gz BAOWCKXMUXYUKP-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000503366755 1027746317 /nfs/dbraw/zinc/74/63/17/1027746317.db2.gz KCLIOEJZTHCXLT-UGSOOPFHSA-N 1 2 330.863 3.683 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048966208 1027747923 /nfs/dbraw/zinc/74/79/23/1027747923.db2.gz OJFCVTKAJQENHE-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO CO[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(Cl)c1 ZINC000420845893 1027788160 /nfs/dbraw/zinc/78/81/60/1027788160.db2.gz IPIJPDHBOKZUKN-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131646424 1027805059 /nfs/dbraw/zinc/80/50/59/1027805059.db2.gz JDSZIIGKHYDMJI-MRXNPFEDSA-N 1 2 347.418 3.554 20 0 EHADLO CCC(CC)(CNC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000357749143 1027814509 /nfs/dbraw/zinc/81/45/09/1027814509.db2.gz SIVNHUKLNILIDJ-UHFFFAOYSA-N 1 2 348.878 3.631 20 0 EHADLO Nc1cc(CSc2nc(C(F)(F)F)nc3ccccc32)cc[nH+]1 ZINC000193074583 1027822512 /nfs/dbraw/zinc/82/25/12/1027822512.db2.gz ZSUDVHSFXNXHKK-UHFFFAOYSA-N 1 2 336.342 3.918 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1cc(F)ccc1F ZINC000305236755 1027833793 /nfs/dbraw/zinc/83/37/93/1027833793.db2.gz NYQQFRCQECOKMS-GOSISDBHSA-N 1 2 343.377 3.520 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1cc(F)ccc1F ZINC000305236755 1027833801 /nfs/dbraw/zinc/83/38/01/1027833801.db2.gz NYQQFRCQECOKMS-GOSISDBHSA-N 1 2 343.377 3.520 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)no1 ZINC000503517894 1027848849 /nfs/dbraw/zinc/84/88/49/1027848849.db2.gz TWTWYQDWNSTPON-IAGOWNOFSA-N 1 2 329.444 3.640 20 0 EHADLO C[C@H](Sc1ccccn1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132068545 1027854673 /nfs/dbraw/zinc/85/46/73/1027854673.db2.gz XRYIHIZTEGIISF-LBPRGKRZSA-N 1 2 342.399 3.526 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3cc(C)ccc3C)CC2)o1 ZINC000110108171 1027856014 /nfs/dbraw/zinc/85/60/14/1027856014.db2.gz QTJCQSWPRUBEEF-HNNXBMFYSA-N 1 2 329.444 3.853 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)n1 ZINC000414482250 1027930055 /nfs/dbraw/zinc/93/00/55/1027930055.db2.gz MRULBVWMZGOWDS-UHFFFAOYSA-N 1 2 334.395 3.595 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000536618653 1027937468 /nfs/dbraw/zinc/93/74/68/1027937468.db2.gz UXXHZMSVRYGEAG-LBPRGKRZSA-N 1 2 348.244 3.766 20 0 EHADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 ZINC000420985001 1027942998 /nfs/dbraw/zinc/94/29/98/1027942998.db2.gz KFMOYBTZAQGQHW-QGZVFWFLSA-N 1 2 343.496 3.644 20 0 EHADLO CC(=O)N[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 ZINC000420985001 1027943010 /nfs/dbraw/zinc/94/30/10/1027943010.db2.gz KFMOYBTZAQGQHW-QGZVFWFLSA-N 1 2 343.496 3.644 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000536620888 1027961849 /nfs/dbraw/zinc/96/18/49/1027961849.db2.gz ABJHSMKIUJHMRP-MRXNPFEDSA-N 1 2 347.422 3.504 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@@H](CC)CO)n1 ZINC000347340307 1027964470 /nfs/dbraw/zinc/96/44/70/1027964470.db2.gz OTKBOXPSUVPVGW-HOCLYGCPSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@@H](CC)CO)n1 ZINC000347340307 1027964484 /nfs/dbraw/zinc/96/44/84/1027964484.db2.gz OTKBOXPSUVPVGW-HOCLYGCPSA-N 1 2 349.500 3.657 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000133033653 1027993793 /nfs/dbraw/zinc/99/37/93/1027993793.db2.gz PWXKMZQVOJQGRA-WBVHZDCISA-N 1 2 339.345 3.893 20 0 EHADLO COc1cccc2c(N[C@H]3CCN(C4CCCCC4)C3=O)cc[nH+]c12 ZINC000685039204 1028001199 /nfs/dbraw/zinc/00/11/99/1028001199.db2.gz OHGWQDCMIGEMSY-KRWDZBQOSA-N 1 2 339.439 3.589 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000513739519 1028026187 /nfs/dbraw/zinc/02/61/87/1028026187.db2.gz JGJWSLKYVJVKEV-DOTOQJQBSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153505317 1028054692 /nfs/dbraw/zinc/05/46/92/1028054692.db2.gz GXAAVHXBEPRWBH-KRWDZBQOSA-N 1 2 349.434 3.528 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000533548330 1028063719 /nfs/dbraw/zinc/06/37/19/1028063719.db2.gz FGLJZRBPRKXLQW-YOEHRIQHSA-N 1 2 331.485 3.801 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nncn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000444647698 1028112088 /nfs/dbraw/zinc/11/20/88/1028112088.db2.gz LVOABLVYUZCOHY-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000444647698 1028112093 /nfs/dbraw/zinc/11/20/93/1028112093.db2.gz LVOABLVYUZCOHY-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO Cc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccccc3F)no2)cn1 ZINC000444642656 1028128274 /nfs/dbraw/zinc/12/82/74/1028128274.db2.gz JADQDRLTDYAZDY-UHFFFAOYSA-N 1 2 326.375 3.604 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669490 1028139936 /nfs/dbraw/zinc/13/99/36/1028139936.db2.gz DDWYQFRBPLYKPE-QZTJIDSGSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669490 1028139943 /nfs/dbraw/zinc/13/99/43/1028139943.db2.gz DDWYQFRBPLYKPE-QZTJIDSGSA-N 1 2 342.487 3.683 20 0 EHADLO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444690020 1028159586 /nfs/dbraw/zinc/15/95/86/1028159586.db2.gz IDOMVFUEOWRQSI-UHFFFAOYSA-N 1 2 348.418 3.536 20 0 EHADLO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444690020 1028159591 /nfs/dbraw/zinc/15/95/91/1028159591.db2.gz IDOMVFUEOWRQSI-UHFFFAOYSA-N 1 2 348.418 3.536 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1C ZINC000444689019 1028159893 /nfs/dbraw/zinc/15/98/93/1028159893.db2.gz DZDLRJUXTRYJTN-DZGCQCFKSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1C ZINC000444689019 1028159903 /nfs/dbraw/zinc/15/99/03/1028159903.db2.gz DZDLRJUXTRYJTN-DZGCQCFKSA-N 1 2 336.501 3.822 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000125918372 1028174836 /nfs/dbraw/zinc/17/48/36/1028174836.db2.gz PKDZJJJZEBLQJT-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO COc1ccc(Cl)cc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455470205 1028203404 /nfs/dbraw/zinc/20/34/04/1028203404.db2.gz IGLYICGXQNVBRZ-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO Cc1ncsc1CCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421225041 1028211632 /nfs/dbraw/zinc/21/16/32/1028211632.db2.gz MGRHYJHFMDAAOO-UHFFFAOYSA-N 1 2 348.537 3.760 20 0 EHADLO CC1(C)C[N@H+](Cc2nncn2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000444718928 1028212108 /nfs/dbraw/zinc/21/21/08/1028212108.db2.gz XAHKLOJLGJOQMK-CQSZACIVSA-N 1 2 338.377 3.678 20 0 EHADLO CC1(C)C[N@@H+](Cc2nncn2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000444718928 1028212117 /nfs/dbraw/zinc/21/21/17/1028212117.db2.gz XAHKLOJLGJOQMK-CQSZACIVSA-N 1 2 338.377 3.678 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)s1 ZINC000090883386 1028214408 /nfs/dbraw/zinc/21/44/08/1028214408.db2.gz NQJQCUACVSHOJA-SNVBAGLBSA-N 1 2 334.395 3.766 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)Oc2cccc(F)c2)c(C)[nH+]1 ZINC000455495018 1028227920 /nfs/dbraw/zinc/22/79/20/1028227920.db2.gz NUIYNFZFHHPWIB-CYBMUJFWSA-N 1 2 331.391 3.735 20 0 EHADLO CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054682730 1028243360 /nfs/dbraw/zinc/24/33/60/1028243360.db2.gz XSFYSPUSYZBROX-QGZVFWFLSA-N 1 2 338.798 3.722 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000277969810 1028245264 /nfs/dbraw/zinc/24/52/64/1028245264.db2.gz GPWULLCZLLRQNN-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000277969810 1028245280 /nfs/dbraw/zinc/24/52/80/1028245280.db2.gz GPWULLCZLLRQNN-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO CCCCOc1ncccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455482844 1028249527 /nfs/dbraw/zinc/24/95/27/1028249527.db2.gz PPWPHZAODJZFPM-UHFFFAOYSA-N 1 2 342.443 3.902 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000121096086 1028251215 /nfs/dbraw/zinc/25/12/15/1028251215.db2.gz ARPXFGWUIAFCCE-HNNXBMFYSA-N 1 2 344.528 3.714 20 0 EHADLO COC(=O)C[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC000455482994 1028252344 /nfs/dbraw/zinc/25/23/44/1028252344.db2.gz ITAXIQCHYARGGT-MRXNPFEDSA-N 1 2 347.459 3.640 20 0 EHADLO Cc1cccc(OC[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455487094 1028256221 /nfs/dbraw/zinc/25/62/21/1028256221.db2.gz SKSRJWQQEXASQW-HNNXBMFYSA-N 1 2 327.428 3.904 20 0 EHADLO CC[C@H]1C[C@@]1([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C)c1 ZINC000502484318 1028257232 /nfs/dbraw/zinc/25/72/32/1028257232.db2.gz XSKRIIAARLKPDW-LRDDRELGSA-N 1 2 339.361 3.898 20 0 EHADLO CC[C@H]1C[C@]1([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C)c1 ZINC000502484316 1028258380 /nfs/dbraw/zinc/25/83/80/1028258380.db2.gz XSKRIIAARLKPDW-BLLLJJGKSA-N 1 2 339.361 3.898 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(OCC3CCCC3)CC2)nn1C ZINC000421318955 1028261382 /nfs/dbraw/zinc/26/13/82/1028261382.db2.gz JDRYUGCMUGLQIY-UHFFFAOYSA-N 1 2 325.884 3.553 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)COc2ccc(F)cc2F)c(C)[nH+]1 ZINC000455491649 1028262058 /nfs/dbraw/zinc/26/20/58/1028262058.db2.gz YTZUMEDOLBZDST-GFCCVEGCSA-N 1 2 349.381 3.874 20 0 EHADLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(SC(C)C)cc2)CC1 ZINC000444801752 1028272255 /nfs/dbraw/zinc/27/22/55/1028272255.db2.gz MAULLCAIINYPQQ-UHFFFAOYSA-N 1 2 341.542 3.586 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(N3CCCC3)cc2C)c[nH+]1 ZINC000454280615 1028279400 /nfs/dbraw/zinc/27/94/00/1028279400.db2.gz RYWPYZDINVHOBK-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)Oc2ccccc2C)c(C)[nH+]1 ZINC000455503078 1028280390 /nfs/dbraw/zinc/28/03/90/1028280390.db2.gz VJCDXIONYMUTOT-OAHLLOKOSA-N 1 2 327.428 3.904 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@]2(C)OCCc3sccc32)c(C)[nH+]1 ZINC000455514443 1028294179 /nfs/dbraw/zinc/29/41/79/1028294179.db2.gz JTWLQSJSZTXTSM-SFHVURJKSA-N 1 2 345.468 3.678 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)c[nH+]1 ZINC000455534733 1028311261 /nfs/dbraw/zinc/31/12/61/1028311261.db2.gz ADRCMFLHXSQJNC-SFHVURJKSA-N 1 2 327.403 3.884 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455534530 1028312031 /nfs/dbraw/zinc/31/20/31/1028312031.db2.gz GYBGWSKBFDMYOM-DOTOQJQBSA-N 1 2 332.492 3.905 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)c(C)[nH+]1 ZINC000455536423 1028314839 /nfs/dbraw/zinc/31/48/39/1028314839.db2.gz VZMJHZRPTJTWPM-SJCJKPOMSA-N 1 2 329.375 3.790 20 0 EHADLO COCc1cc(C[NH2+]Cc2cccc(COc3ccccc3)c2)no1 ZINC000459371944 1028321543 /nfs/dbraw/zinc/32/15/43/1028321543.db2.gz KRVAPAAMYNRRFR-UHFFFAOYSA-N 1 2 338.407 3.690 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(Cc1ccccc1)C1CC1 ZINC000056895105 1028344858 /nfs/dbraw/zinc/34/48/58/1028344858.db2.gz NHSYKNLSEJITGB-UHFFFAOYSA-N 1 2 346.434 3.747 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)c(C)c1OC ZINC000421357399 1028345582 /nfs/dbraw/zinc/34/55/82/1028345582.db2.gz NXYPABGRCBNLFN-NSHDSACASA-N 1 2 337.851 3.558 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c[nH+]1 ZINC000455540278 1028355269 /nfs/dbraw/zinc/35/52/69/1028355269.db2.gz FLJCBNZHZLZRKE-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)c(Br)cn1 ZINC000582962902 1028385528 /nfs/dbraw/zinc/38/55/28/1028385528.db2.gz XVVFDDNGFLRJQT-MRVPVSSYSA-N 1 2 349.154 3.560 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000455552018 1028412386 /nfs/dbraw/zinc/41/23/86/1028412386.db2.gz GNLTVUCFJSJPMG-IBGZPJMESA-N 1 2 337.467 3.863 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1OCC ZINC000069070161 1028418783 /nfs/dbraw/zinc/41/87/83/1028418783.db2.gz CVXJQNSQUMBPHW-AWEZNQCLSA-N 1 2 346.427 3.709 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1OCC ZINC000069070161 1028418792 /nfs/dbraw/zinc/41/87/92/1028418792.db2.gz CVXJQNSQUMBPHW-AWEZNQCLSA-N 1 2 346.427 3.709 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000079026001 1028419374 /nfs/dbraw/zinc/41/93/74/1028419374.db2.gz MRMIMOWRLXZVAG-QFBILLFUSA-N 1 2 340.471 3.652 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698150 1028469171 /nfs/dbraw/zinc/46/91/71/1028469171.db2.gz YLNKVHFZIWGOIA-SMDDNHRTSA-N 1 2 348.447 3.550 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698150 1028469182 /nfs/dbraw/zinc/46/91/82/1028469182.db2.gz YLNKVHFZIWGOIA-SMDDNHRTSA-N 1 2 348.447 3.550 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000426151028 1028470583 /nfs/dbraw/zinc/47/05/83/1028470583.db2.gz VUWAOKYAZOCDAF-ZDUSSCGKSA-N 1 2 333.526 3.961 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2scnc2C2CC2)CC1 ZINC000426151028 1028470593 /nfs/dbraw/zinc/47/05/93/1028470593.db2.gz VUWAOKYAZOCDAF-ZDUSSCGKSA-N 1 2 333.526 3.961 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2cc1C ZINC000193853848 1028473564 /nfs/dbraw/zinc/47/35/64/1028473564.db2.gz WBRZLPUGRNMWTB-OAHLLOKOSA-N 1 2 337.423 3.513 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2cc1C ZINC000193853848 1028473572 /nfs/dbraw/zinc/47/35/72/1028473572.db2.gz WBRZLPUGRNMWTB-OAHLLOKOSA-N 1 2 337.423 3.513 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1C ZINC000193993609 1028481613 /nfs/dbraw/zinc/48/16/13/1028481613.db2.gz PIRDBXIIVILJRN-KRWDZBQOSA-N 1 2 325.456 3.917 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1C ZINC000193993609 1028481623 /nfs/dbraw/zinc/48/16/23/1028481623.db2.gz PIRDBXIIVILJRN-KRWDZBQOSA-N 1 2 325.456 3.917 20 0 EHADLO c1nc(C2CC2)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)s1 ZINC000426160822 1028504296 /nfs/dbraw/zinc/50/42/96/1028504296.db2.gz LAKBJPWIHLPZIY-QGZVFWFLSA-N 1 2 328.481 3.854 20 0 EHADLO c1nc(C2CC2)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)s1 ZINC000426160822 1028504311 /nfs/dbraw/zinc/50/43/11/1028504311.db2.gz LAKBJPWIHLPZIY-QGZVFWFLSA-N 1 2 328.481 3.854 20 0 EHADLO CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccccc1 ZINC000270116581 1028512416 /nfs/dbraw/zinc/51/24/16/1028512416.db2.gz IFKYPVYKFRFFRY-UHFFFAOYSA-N 1 2 340.452 3.969 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000073020365 1028534910 /nfs/dbraw/zinc/53/49/10/1028534910.db2.gz BUQCIKUCVHENCM-INIZCTEOSA-N 1 2 335.407 3.916 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000194715861 1028544179 /nfs/dbraw/zinc/54/41/79/1028544179.db2.gz WGUZWMDGBOROHB-UHFFFAOYSA-N 1 2 341.798 3.759 20 0 EHADLO COCCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194806186 1028550564 /nfs/dbraw/zinc/55/05/64/1028550564.db2.gz BJBRYCNZPFCFDN-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO c1csc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000236598705 1028550640 /nfs/dbraw/zinc/55/06/40/1028550640.db2.gz IRYJKSDLKWNWRX-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)[nH+]c12 ZINC000523700855 1028553228 /nfs/dbraw/zinc/55/32/28/1028553228.db2.gz XGVBQLFDNLJSGM-JCGIZDLHSA-N 1 2 325.456 3.612 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000504310172 1028556689 /nfs/dbraw/zinc/55/66/89/1028556689.db2.gz POMYLHMAVBHIMU-GOSISDBHSA-N 1 2 338.455 3.739 20 0 EHADLO CCCCOc1cc(CN2CCc3c([nH+]cn3CC)C2)ccc1OC ZINC000897336690 1028561303 /nfs/dbraw/zinc/56/13/03/1028561303.db2.gz LKEPRAATLZWDDO-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO Cc1cc(CNC(=O)CCc2ccccc2Br)cc(C)[nH+]1 ZINC000421574195 1028570585 /nfs/dbraw/zinc/57/05/85/1028570585.db2.gz DXGBDDMQCUEFQY-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO Cc1cc(CNC(=O)CCc2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000421577140 1028573094 /nfs/dbraw/zinc/57/30/94/1028573094.db2.gz NVHTVQQRUXDMCH-UHFFFAOYSA-N 1 2 336.357 3.966 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1ccccc1Cl ZINC000195073819 1028574470 /nfs/dbraw/zinc/57/44/70/1028574470.db2.gz RXDPPSBZAYRDIP-GUYCJALGSA-N 1 2 342.830 3.605 20 0 EHADLO O[C@@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000195069669 1028575041 /nfs/dbraw/zinc/57/50/41/1028575041.db2.gz XNMQJQZVIIRMNA-IRXDYDNUSA-N 1 2 346.402 3.834 20 0 EHADLO Cc1oc(-c2ccco2)nc1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000195372933 1028598439 /nfs/dbraw/zinc/59/84/39/1028598439.db2.gz BKKRIOQVHYYIAG-UHFFFAOYSA-N 1 2 348.362 3.610 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1 ZINC000459389565 1028600427 /nfs/dbraw/zinc/60/04/27/1028600427.db2.gz RCOQXHFRIKLTBT-MRXNPFEDSA-N 1 2 343.427 3.658 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2cccn3cc(C)[nH+]c23)c1 ZINC001211971717 1028616557 /nfs/dbraw/zinc/61/65/57/1028616557.db2.gz GAKBDSCEKXKNJI-UHFFFAOYSA-N 1 2 325.368 3.572 20 0 EHADLO CC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1nc(C)cs1 ZINC000074567257 1028623578 /nfs/dbraw/zinc/62/35/78/1028623578.db2.gz URHUCNVGDBNRAZ-OAHLLOKOSA-N 1 2 340.452 3.827 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)c1cccs1 ZINC000523791547 1028628839 /nfs/dbraw/zinc/62/88/39/1028628839.db2.gz FLUVXHCNBSDZSF-HOCLYGCPSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)c1cccs1 ZINC000523791547 1028628844 /nfs/dbraw/zinc/62/88/44/1028628844.db2.gz FLUVXHCNBSDZSF-HOCLYGCPSA-N 1 2 346.521 3.715 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000611226279 1028650579 /nfs/dbraw/zinc/65/05/79/1028650579.db2.gz PPTOAPAQUOGHQM-UHFFFAOYSA-N 1 2 333.391 3.533 20 0 EHADLO Cc1ncsc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000237666000 1028660206 /nfs/dbraw/zinc/66/02/06/1028660206.db2.gz QVNBHKZKBYMRKL-SFHVURJKSA-N 1 2 337.448 3.921 20 0 EHADLO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000237985187 1028673101 /nfs/dbraw/zinc/67/31/01/1028673101.db2.gz VFTCKKSERRNGQX-HXUWFJFHSA-N 1 2 332.403 3.862 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@]2(CCOC2)O1 ZINC000475625532 1028682899 /nfs/dbraw/zinc/68/28/99/1028682899.db2.gz MSCNRKAATCLKIC-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@]2(CCOC2)O1 ZINC000475625532 1028682911 /nfs/dbraw/zinc/68/29/11/1028682911.db2.gz MSCNRKAATCLKIC-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000509673446 1028716879 /nfs/dbraw/zinc/71/68/79/1028716879.db2.gz ONYREKIVNSWWAM-IIBYNOLFSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000509673446 1028716890 /nfs/dbraw/zinc/71/68/90/1028716890.db2.gz ONYREKIVNSWWAM-IIBYNOLFSA-N 1 2 339.435 3.730 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247030440 1028729267 /nfs/dbraw/zinc/72/92/67/1028729267.db2.gz DMAHGIMWTBDZTD-GTSOOQBYSA-N 1 2 339.439 3.722 20 0 EHADLO CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454321975 1028739785 /nfs/dbraw/zinc/73/97/85/1028739785.db2.gz CCOLTGKRAFRKAD-RTBURBONSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015461553 1028758142 /nfs/dbraw/zinc/75/81/42/1028758142.db2.gz KOQBLWAUKRZHBU-INIZCTEOSA-N 1 2 334.423 3.620 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000162419261 1028764382 /nfs/dbraw/zinc/76/43/82/1028764382.db2.gz GFPCQYMLOGZYQH-NWDGAFQWSA-N 1 2 338.498 3.521 20 0 EHADLO CC1(C)CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454338593 1028767331 /nfs/dbraw/zinc/76/73/31/1028767331.db2.gz OCWYEWRQJOMUTG-SFHVURJKSA-N 1 2 340.471 3.557 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)o1 ZINC000532747257 1028768444 /nfs/dbraw/zinc/76/84/44/1028768444.db2.gz SKZLHZYAUSWIEG-UHFFFAOYSA-N 1 2 329.371 3.885 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000454341171 1028771058 /nfs/dbraw/zinc/77/10/58/1028771058.db2.gz QQZAPHIUSZZUAG-INIZCTEOSA-N 1 2 344.503 3.518 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247373750 1028784506 /nfs/dbraw/zinc/78/45/06/1028784506.db2.gz HUCVTLQMENHASH-SZMVWBNQSA-N 1 2 343.496 3.864 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000247620343 1028789659 /nfs/dbraw/zinc/78/96/59/1028789659.db2.gz NDQBWVNCTFMXPL-YWTNHNAXSA-N 1 2 340.471 3.668 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247594538 1028804756 /nfs/dbraw/zinc/80/47/56/1028804756.db2.gz MSWUYUIVHNHNOC-BVPBIZIASA-N 1 2 343.858 3.750 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247569017 1028804886 /nfs/dbraw/zinc/80/48/86/1028804886.db2.gz LGEWLHVRXGXAIS-YVWKXTFCSA-N 1 2 337.467 3.803 20 0 EHADLO CCOCCOCc1cccc(NCc2c[nH+]cn2C(C)C)c1C ZINC000424144253 1028830950 /nfs/dbraw/zinc/83/09/50/1028830950.db2.gz KWJLYPQNLKKTGJ-UHFFFAOYSA-N 1 2 331.460 3.938 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2csnn2)[C@H]1Sc1ccccc1 ZINC000414555229 1028854761 /nfs/dbraw/zinc/85/47/61/1028854761.db2.gz WMOKZJYNJACUMJ-WXYCVUISSA-N 1 2 335.498 3.527 20 0 EHADLO Cc1cn(-c2ccc(Cl)cc2)nc1NCc1c[nH+]cn1C(C)C ZINC000424199483 1028882822 /nfs/dbraw/zinc/88/28/22/1028882822.db2.gz YTSUZUHLAZERHZ-UHFFFAOYSA-N 1 2 329.835 3.646 20 0 EHADLO CSc1cccnc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000445606621 1028970933 /nfs/dbraw/zinc/97/09/33/1028970933.db2.gz DVCAMNZSLKUOOR-UHFFFAOYSA-N 1 2 349.419 3.765 20 0 EHADLO CN(Cc1ccc(N)[nH+]c1)c1ncnc2scc(-c3ccccc3)c21 ZINC000445608441 1028971485 /nfs/dbraw/zinc/97/14/85/1028971485.db2.gz OFIMPWOIKKGTKJ-UHFFFAOYSA-N 1 2 347.447 3.802 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000249056515 1028982822 /nfs/dbraw/zinc/98/28/22/1028982822.db2.gz IYJKAIWBKJFNDE-DAXOMENPSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000249056515 1028982833 /nfs/dbraw/zinc/98/28/33/1028982833.db2.gz IYJKAIWBKJFNDE-DAXOMENPSA-N 1 2 329.362 3.646 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)ccc1F ZINC000154090144 1028983527 /nfs/dbraw/zinc/98/35/27/1028983527.db2.gz QKUODMNAIJAINP-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)ccc1F ZINC000154090144 1028983547 /nfs/dbraw/zinc/98/35/47/1028983547.db2.gz QKUODMNAIJAINP-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000504840862 1028986223 /nfs/dbraw/zinc/98/62/23/1028986223.db2.gz XPIJNFAYXDBXLP-INIZCTEOSA-N 1 2 340.492 3.954 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000504840862 1028986238 /nfs/dbraw/zinc/98/62/38/1028986238.db2.gz XPIJNFAYXDBXLP-INIZCTEOSA-N 1 2 340.492 3.954 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC(C)C ZINC000414561754 1028994909 /nfs/dbraw/zinc/99/49/09/1028994909.db2.gz ZSQBWPOYYUXGLN-UHFFFAOYSA-N 1 2 333.457 3.501 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000154115426 1029010913 /nfs/dbraw/zinc/01/09/13/1029010913.db2.gz LQRMNRMBNWVYHM-LJQANCHMSA-N 1 2 331.410 3.629 20 0 EHADLO CC[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000123807533 1029036471 /nfs/dbraw/zinc/03/64/71/1029036471.db2.gz CHYWKGPEVRBYAB-JCGIZDLHSA-N 1 2 329.419 3.626 20 0 EHADLO CC[C@@H]1C[C@H](C[N@@H+]2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000503088946 1029041690 /nfs/dbraw/zinc/04/16/90/1029041690.db2.gz WHFZQBKUXGNAIR-INMHGKMJSA-N 1 2 346.496 3.875 20 0 EHADLO CC[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000503088946 1029041701 /nfs/dbraw/zinc/04/17/01/1029041701.db2.gz WHFZQBKUXGNAIR-INMHGKMJSA-N 1 2 346.496 3.875 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1F ZINC000532920161 1029070837 /nfs/dbraw/zinc/07/08/37/1029070837.db2.gz MVMKOUDFXMDSNH-CABCVRRESA-N 1 2 326.415 3.624 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccccc1F ZINC000532920161 1029070841 /nfs/dbraw/zinc/07/08/41/1029070841.db2.gz MVMKOUDFXMDSNH-CABCVRRESA-N 1 2 326.415 3.624 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000077546795 1029124037 /nfs/dbraw/zinc/12/40/37/1029124037.db2.gz AQZFTRKVHDMBDD-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO CSc1ccc(F)cc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454613411 1029126026 /nfs/dbraw/zinc/12/60/26/1029126026.db2.gz XMUIZAYEALZKRI-UHFFFAOYSA-N 1 2 333.432 3.559 20 0 EHADLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000533017308 1029202272 /nfs/dbraw/zinc/20/22/72/1029202272.db2.gz VYLDAMLNMPDFSZ-CYBMUJFWSA-N 1 2 347.484 3.513 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1Cl ZINC000188774291 1029225381 /nfs/dbraw/zinc/22/53/81/1029225381.db2.gz UTOHGHFVJPEWKO-UHFFFAOYSA-N 1 2 349.261 3.782 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1Cl ZINC000188774291 1029225397 /nfs/dbraw/zinc/22/53/97/1029225397.db2.gz UTOHGHFVJPEWKO-UHFFFAOYSA-N 1 2 349.261 3.782 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(Br)s1 ZINC000533068620 1029263452 /nfs/dbraw/zinc/26/34/52/1029263452.db2.gz QUWTXRSEQJSUHW-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Br)s1 ZINC000533068620 1029263467 /nfs/dbraw/zinc/26/34/67/1029263467.db2.gz QUWTXRSEQJSUHW-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000285644197 1029301727 /nfs/dbraw/zinc/30/17/27/1029301727.db2.gz ZNYSIHGIMTYVAZ-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C)n2C2CC2)cc1 ZINC000154748527 1029304257 /nfs/dbraw/zinc/30/42/57/1029304257.db2.gz GSSQWMNFHBAOTQ-SFHVURJKSA-N 1 2 326.444 3.657 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C)n2C2CC2)cc1 ZINC000154748527 1029304274 /nfs/dbraw/zinc/30/42/74/1029304274.db2.gz GSSQWMNFHBAOTQ-SFHVURJKSA-N 1 2 326.444 3.657 20 0 EHADLO C[N@H+](Cc1sccc1Br)[C@@H](CO)c1ccccc1 ZINC000343124154 1029327046 /nfs/dbraw/zinc/32/70/46/1029327046.db2.gz YOGGQZDISCOGDF-ZDUSSCGKSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@@H+](Cc1sccc1Br)[C@@H](CO)c1ccccc1 ZINC000343124154 1029327055 /nfs/dbraw/zinc/32/70/55/1029327055.db2.gz YOGGQZDISCOGDF-ZDUSSCGKSA-N 1 2 326.259 3.676 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1OC ZINC000245814231 1029332631 /nfs/dbraw/zinc/33/26/31/1029332631.db2.gz ZYXDWOHSKMDWRA-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1OC ZINC000245814231 1029332646 /nfs/dbraw/zinc/33/26/46/1029332646.db2.gz ZYXDWOHSKMDWRA-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CCCC[C@@H]21 ZINC000664279543 1029348407 /nfs/dbraw/zinc/34/84/07/1029348407.db2.gz UCDVMWMMGDCWMD-ZFWWWQNUSA-N 1 2 334.489 3.535 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3ccnn3-c3ccccc3)[nH]c2c1 ZINC000343468798 1029355033 /nfs/dbraw/zinc/35/50/33/1029355033.db2.gz MLTCZYLUFLHDAR-OAHLLOKOSA-N 1 2 331.423 3.908 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000524621847 1029355245 /nfs/dbraw/zinc/35/52/45/1029355245.db2.gz QIFNOSJJLSVOTF-TWMKSMIVSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000524621847 1029355261 /nfs/dbraw/zinc/35/52/61/1029355261.db2.gz QIFNOSJJLSVOTF-TWMKSMIVSA-N 1 2 345.487 3.558 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475639900 1029370133 /nfs/dbraw/zinc/37/01/33/1029370133.db2.gz QTPMBVAKWHCCTH-GDBMZVCRSA-N 1 2 347.352 3.614 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475639900 1029370147 /nfs/dbraw/zinc/37/01/47/1029370147.db2.gz QTPMBVAKWHCCTH-GDBMZVCRSA-N 1 2 347.352 3.614 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C)c2ccccc2c1=O ZINC000054513856 1029393162 /nfs/dbraw/zinc/39/31/62/1029393162.db2.gz NJIVRYSYBUHQAI-MRXNPFEDSA-N 1 2 335.451 3.963 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nc(C)c2ccccc2c1=O ZINC000054513856 1029393171 /nfs/dbraw/zinc/39/31/71/1029393171.db2.gz NJIVRYSYBUHQAI-MRXNPFEDSA-N 1 2 335.451 3.963 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4cc(F)ccc4s3)n2)C1 ZINC000272362366 1029432728 /nfs/dbraw/zinc/43/27/28/1029432728.db2.gz BOTWYEVRJATANF-CYBMUJFWSA-N 1 2 347.415 3.872 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4cc(F)ccc4s3)n2)C1 ZINC000272362366 1029432739 /nfs/dbraw/zinc/43/27/39/1029432739.db2.gz BOTWYEVRJATANF-CYBMUJFWSA-N 1 2 347.415 3.872 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000150855771 1029442480 /nfs/dbraw/zinc/44/24/80/1029442480.db2.gz KZWXNSGSGSSULZ-KBPBESRZSA-N 1 2 340.402 3.827 20 0 EHADLO CC(C)C(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000446158537 1029458672 /nfs/dbraw/zinc/45/86/72/1029458672.db2.gz ROMNOSJENBRNHH-INIZCTEOSA-N 1 2 347.503 3.884 20 0 EHADLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccccc3F)CC2)s1 ZINC000505336599 1029468619 /nfs/dbraw/zinc/46/86/19/1029468619.db2.gz CLMLWQWMUBZWMY-UHFFFAOYSA-N 1 2 333.476 3.803 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000665923688 1029488832 /nfs/dbraw/zinc/48/88/32/1029488832.db2.gz JBGRAJDTYRGKTB-WOJBJXKFSA-N 1 2 345.446 3.753 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000446220353 1029506122 /nfs/dbraw/zinc/50/61/22/1029506122.db2.gz ZJFSVMYCHWKVQY-INIZCTEOSA-N 1 2 340.471 3.983 20 0 EHADLO O=C(c1cccc(Cl)c1O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001272106314 1029514046 /nfs/dbraw/zinc/51/40/46/1029514046.db2.gz RQUAONURHPOZQG-UHFFFAOYSA-N 1 2 348.874 3.526 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749809415 1029570381 /nfs/dbraw/zinc/57/03/81/1029570381.db2.gz IMSTYKDZYZSQGB-QWHCGFSZSA-N 1 2 340.414 3.967 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749809415 1029570390 /nfs/dbraw/zinc/57/03/90/1029570390.db2.gz IMSTYKDZYZSQGB-QWHCGFSZSA-N 1 2 340.414 3.967 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(Cl)c1 ZINC000459384925 1029594522 /nfs/dbraw/zinc/59/45/22/1029594522.db2.gz IZGRKOQWXNRQFB-UHFFFAOYSA-N 1 2 346.833 3.970 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1ccc(F)cc1F ZINC000533301639 1029604757 /nfs/dbraw/zinc/60/47/57/1029604757.db2.gz HOKPKRSOUKOBCV-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(F)c(Cl)c1 ZINC000533347667 1029628318 /nfs/dbraw/zinc/62/83/18/1029628318.db2.gz KLUSEZMFWUIAEW-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(F)c(Cl)c1 ZINC000533347667 1029628326 /nfs/dbraw/zinc/62/83/26/1029628326.db2.gz KLUSEZMFWUIAEW-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1cc(C)n2c(C[NH2+][C@H](c3ccco3)c3ccccc3)cnc2n1 ZINC000155700795 1029636294 /nfs/dbraw/zinc/63/62/94/1029636294.db2.gz XJHMFSYILYLGMN-IBGZPJMESA-N 1 2 332.407 3.818 20 0 EHADLO OC1([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)CC1 ZINC000583325643 1029654005 /nfs/dbraw/zinc/65/40/05/1029654005.db2.gz ULPNRXCVSFBCHE-ZDUSSCGKSA-N 1 2 346.215 3.607 20 0 EHADLO OC1([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)CC1 ZINC000583325643 1029654008 /nfs/dbraw/zinc/65/40/08/1029654008.db2.gz ULPNRXCVSFBCHE-ZDUSSCGKSA-N 1 2 346.215 3.607 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000525102572 1029685198 /nfs/dbraw/zinc/68/51/98/1029685198.db2.gz VAHLWVMWHLJPHG-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126615344 1029753918 /nfs/dbraw/zinc/75/39/18/1029753918.db2.gz CPAMHALUTSDHON-WMLDXEAASA-N 1 2 345.874 3.924 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000583426349 1029811327 /nfs/dbraw/zinc/81/13/27/1029811327.db2.gz UUZCWSBXSMLOLH-KRWDZBQOSA-N 1 2 346.862 3.553 20 0 EHADLO CCO[C@@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000080018278 1029811627 /nfs/dbraw/zinc/81/16/27/1029811627.db2.gz QGKSTUNRNVRHHL-IBGZPJMESA-N 1 2 341.455 3.588 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000080041104 1029814407 /nfs/dbraw/zinc/81/44/07/1029814407.db2.gz RJZNAPJEIXLNGC-SWLSCSKDSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000080041104 1029814414 /nfs/dbraw/zinc/81/44/14/1029814414.db2.gz RJZNAPJEIXLNGC-SWLSCSKDSA-N 1 2 349.525 3.697 20 0 EHADLO FC(F)(F)[C@H]1C[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000287563239 1029826254 /nfs/dbraw/zinc/82/62/54/1029826254.db2.gz GGZFABBJJAMFEK-TZMCWYRMSA-N 1 2 329.366 3.594 20 0 EHADLO C[C@@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000455726798 1029862143 /nfs/dbraw/zinc/86/21/43/1029862143.db2.gz DBCFOUZECGSLPQ-STQMWFEESA-N 1 2 339.361 3.615 20 0 EHADLO C[C@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000455726795 1029862378 /nfs/dbraw/zinc/86/23/78/1029862378.db2.gz DBCFOUZECGSLPQ-OLZOCXBDSA-N 1 2 339.361 3.615 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533812471 1029871725 /nfs/dbraw/zinc/87/17/25/1029871725.db2.gz YCSRGDYHMUNVCG-GOSISDBHSA-N 1 2 342.508 3.976 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000475648806 1029871874 /nfs/dbraw/zinc/87/18/74/1029871874.db2.gz VPKGTLGCMMZINE-CZUORRHYSA-N 1 2 349.425 3.954 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360499997 1029887752 /nfs/dbraw/zinc/88/77/52/1029887752.db2.gz OAODBLHCDHXICO-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000448730510 1029888183 /nfs/dbraw/zinc/88/81/83/1029888183.db2.gz YARMEIWSXFMJDS-PSBWJHGTSA-N 1 2 344.499 3.917 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871180 1029951417 /nfs/dbraw/zinc/95/14/17/1029951417.db2.gz XCVLGIJXNJYUTG-ZIAGYGMSSA-N 1 2 337.464 3.698 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871180 1029951428 /nfs/dbraw/zinc/95/14/28/1029951428.db2.gz XCVLGIJXNJYUTG-ZIAGYGMSSA-N 1 2 337.464 3.698 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000127734732 1029970788 /nfs/dbraw/zinc/97/07/88/1029970788.db2.gz OPUBEBQYEVYENH-TZMCWYRMSA-N 1 2 341.440 3.608 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000058383577 1029974319 /nfs/dbraw/zinc/97/43/19/1029974319.db2.gz PSVMHTONGQBZOZ-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO Cc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1F ZINC000367370894 1029979181 /nfs/dbraw/zinc/97/91/81/1029979181.db2.gz HOPOFZYJINMEBB-IBGZPJMESA-N 1 2 327.378 3.886 20 0 EHADLO COc1nccc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)n1 ZINC000453250862 1029981016 /nfs/dbraw/zinc/98/10/16/1029981016.db2.gz MWQHEBNRROZPJQ-SECBINFHSA-N 1 2 343.761 3.591 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCc2ccccc21 ZINC000531891757 1029989364 /nfs/dbraw/zinc/98/93/64/1029989364.db2.gz GZPLSCIUDSSZRU-GOSISDBHSA-N 1 2 334.423 3.553 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266937 1030004751 /nfs/dbraw/zinc/00/47/51/1030004751.db2.gz MRSYNJSRAIUPAU-XUWXXGDYSA-N 1 2 342.414 3.779 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266937 1030004769 /nfs/dbraw/zinc/00/47/69/1030004769.db2.gz MRSYNJSRAIUPAU-XUWXXGDYSA-N 1 2 342.414 3.779 20 0 EHADLO Cc1cnc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)s1 ZINC000481827139 1030004827 /nfs/dbraw/zinc/00/48/27/1030004827.db2.gz WZXUSOCDXVRKGI-ZNMIVQPWSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1cnc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)s1 ZINC000481827139 1030004845 /nfs/dbraw/zinc/00/48/45/1030004845.db2.gz WZXUSOCDXVRKGI-ZNMIVQPWSA-N 1 2 336.501 3.926 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)o1 ZINC000525695702 1030029365 /nfs/dbraw/zinc/02/93/65/1030029365.db2.gz IYZQLFAMQNEAGV-GUYCJALGSA-N 1 2 345.439 3.651 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000600600825 1030030893 /nfs/dbraw/zinc/03/08/93/1030030893.db2.gz VJNMHIQVBGCDND-AWEZNQCLSA-N 1 2 349.368 3.868 20 0 EHADLO Cc1ccc(F)c(Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000453289938 1030036373 /nfs/dbraw/zinc/03/63/73/1030036373.db2.gz MVRRAMNJLTWUKV-GOSISDBHSA-N 1 2 325.387 3.759 20 0 EHADLO CC(C)CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343275722 1030050679 /nfs/dbraw/zinc/05/06/79/1030050679.db2.gz LQCRRMHPWZIYIG-UHFFFAOYSA-N 1 2 339.443 3.698 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc2c(s1)CCC2 ZINC000453299866 1030050832 /nfs/dbraw/zinc/05/08/32/1030050832.db2.gz LEHKBVKTKSJSEH-VIFPVBQESA-N 1 2 327.375 3.896 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002123 1030057192 /nfs/dbraw/zinc/05/71/92/1030057192.db2.gz RIKQIUZAYRXFNA-LSDHHAIUSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002123 1030057211 /nfs/dbraw/zinc/05/72/11/1030057211.db2.gz RIKQIUZAYRXFNA-LSDHHAIUSA-N 1 2 349.887 3.589 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)n1 ZINC000453324134 1030105313 /nfs/dbraw/zinc/10/53/13/1030105313.db2.gz QDMFPJNSKIGQJX-INIZCTEOSA-N 1 2 331.847 3.566 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000525782132 1030118251 /nfs/dbraw/zinc/11/82/51/1030118251.db2.gz CAZOHYHROQPHSS-GOSISDBHSA-N 1 2 331.456 3.540 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121009853 1030156758 /nfs/dbraw/zinc/15/67/58/1030156758.db2.gz QMGQRGZSMHGGPN-OXJNMPFZSA-N 1 2 338.451 3.818 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000121200636 1030206145 /nfs/dbraw/zinc/20/61/45/1030206145.db2.gz DTTCVKAJLDEIMR-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000121200636 1030206162 /nfs/dbraw/zinc/20/61/62/1030206162.db2.gz DTTCVKAJLDEIMR-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO CCCOc1cccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000157988672 1030230253 /nfs/dbraw/zinc/23/02/53/1030230253.db2.gz UXQJVBRSLQHWCT-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H]2CCCc3nn(C)cc32)c2ccco2)cc1 ZINC000453418078 1030233615 /nfs/dbraw/zinc/23/36/15/1030233615.db2.gz VCRDPSJWNZAMOM-PXNSSMCTSA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000121413268 1030249926 /nfs/dbraw/zinc/24/99/26/1030249926.db2.gz WZMMCNAXBBWRES-WOJBJXKFSA-N 1 2 338.451 3.891 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1O ZINC000657773935 1030252676 /nfs/dbraw/zinc/25/26/76/1030252676.db2.gz WLNLMXCEXCXUTF-CYBMUJFWSA-N 1 2 342.222 3.531 20 0 EHADLO O=C1CCCN1[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000583605745 1030265397 /nfs/dbraw/zinc/26/53/97/1030265397.db2.gz ZKXAXQQUKCPJAZ-GFCCVEGCSA-N 1 2 347.821 3.619 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(F)c1OC(F)F)n2C ZINC000667997292 1030322636 /nfs/dbraw/zinc/32/26/36/1030322636.db2.gz MTLSPUITVUYXEV-UHFFFAOYSA-N 1 2 349.356 3.912 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000091886604 1030329751 /nfs/dbraw/zinc/32/97/51/1030329751.db2.gz OJWOOJDPJNWHKN-CYBMUJFWSA-N 1 2 333.407 3.513 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c1C ZINC000091932322 1030335903 /nfs/dbraw/zinc/33/59/03/1030335903.db2.gz GECGYBRPUUWYGF-HXUWFJFHSA-N 1 2 340.515 3.616 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c1C ZINC000091932322 1030335922 /nfs/dbraw/zinc/33/59/22/1030335922.db2.gz GECGYBRPUUWYGF-HXUWFJFHSA-N 1 2 340.515 3.616 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000091990264 1030357235 /nfs/dbraw/zinc/35/72/35/1030357235.db2.gz XIRULOSSCDIBES-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000091990264 1030357248 /nfs/dbraw/zinc/35/72/48/1030357248.db2.gz XIRULOSSCDIBES-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](C1CC1)n1nccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668015120 1030359171 /nfs/dbraw/zinc/35/91/71/1030359171.db2.gz VGAXXSHSPNVHJL-PBHICJAKSA-N 1 2 349.438 3.738 20 0 EHADLO COc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000447707494 1030443135 /nfs/dbraw/zinc/44/31/35/1030443135.db2.gz BILSRAZZPZNEGP-MRXNPFEDSA-N 1 2 330.815 3.562 20 0 EHADLO COc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000447707494 1030443147 /nfs/dbraw/zinc/44/31/47/1030443147.db2.gz BILSRAZZPZNEGP-MRXNPFEDSA-N 1 2 330.815 3.562 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000122064191 1030479665 /nfs/dbraw/zinc/47/96/65/1030479665.db2.gz IMKWHEFHPVBITN-SFHVURJKSA-N 1 2 333.863 3.905 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611783473 1030481094 /nfs/dbraw/zinc/48/10/94/1030481094.db2.gz CSUMOGUWALSJCR-MXWKQRLJSA-N 1 2 349.315 3.637 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc2ccsc21 ZINC000343357886 1030488885 /nfs/dbraw/zinc/48/88/85/1030488885.db2.gz HJDWYOAUFPZOKN-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO C[C@@H](CC(=O)N(CCc1cccc(F)c1)C1CCCC1)n1cc[nH+]c1 ZINC000567991296 1030490059 /nfs/dbraw/zinc/49/00/59/1030490059.db2.gz OPCDDYCTGACSBL-INIZCTEOSA-N 1 2 343.446 3.987 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343359703 1030493592 /nfs/dbraw/zinc/49/35/92/1030493592.db2.gz JXEOKUHDWZWWHN-OWOJBTEDSA-N 1 2 336.370 3.508 20 0 EHADLO CC[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1c(F)cccc1F ZINC000092935719 1030536300 /nfs/dbraw/zinc/53/63/00/1030536300.db2.gz FQBYZZMAIBXRCM-UHFFFAOYSA-N 1 2 328.366 3.568 20 0 EHADLO CC[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1c(F)cccc1F ZINC000092935719 1030536309 /nfs/dbraw/zinc/53/63/09/1030536309.db2.gz FQBYZZMAIBXRCM-UHFFFAOYSA-N 1 2 328.366 3.568 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343369923 1030548490 /nfs/dbraw/zinc/54/84/90/1030548490.db2.gz PRIXZMYIKDKIIO-UHFFFAOYSA-N 1 2 340.814 3.551 20 0 EHADLO CCOc1cc(C[NH+]2[C@H](C)C[C@H]2C)cc(Br)c1OC ZINC000526990469 1030551094 /nfs/dbraw/zinc/55/10/94/1030551094.db2.gz BICNZIUNKMHIEK-GHMZBOCLSA-N 1 2 328.250 3.839 20 0 EHADLO Oc1cccnc1C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000526991866 1030552187 /nfs/dbraw/zinc/55/21/87/1030552187.db2.gz JOBJOMHOKRFGIR-UHFFFAOYSA-N 1 2 331.828 3.854 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093227729 1030576307 /nfs/dbraw/zinc/57/63/07/1030576307.db2.gz IJQPEQJUYOMTDR-KBPBESRZSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093227729 1030576320 /nfs/dbraw/zinc/57/63/20/1030576320.db2.gz IJQPEQJUYOMTDR-KBPBESRZSA-N 1 2 347.409 3.572 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668090084 1030584918 /nfs/dbraw/zinc/58/49/18/1030584918.db2.gz FLRBCCUCSJZXPL-CEXWTWQISA-N 1 2 337.467 3.775 20 0 EHADLO COc1ccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000060520888 1030596929 /nfs/dbraw/zinc/59/69/29/1030596929.db2.gz NKOLKCSKJDHWMY-BJMVGYQFSA-N 1 2 349.390 3.541 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093413584 1030608725 /nfs/dbraw/zinc/60/87/25/1030608725.db2.gz CRRZYYJXXSECCZ-OAHLLOKOSA-N 1 2 342.512 3.684 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093413584 1030608737 /nfs/dbraw/zinc/60/87/37/1030608737.db2.gz CRRZYYJXXSECCZ-OAHLLOKOSA-N 1 2 342.512 3.684 20 0 EHADLO CC1(C)Cc2cccc(C[N@@H+]3CCO[C@@H](c4cccc(O)c4)C3)c2O1 ZINC000093457732 1030616168 /nfs/dbraw/zinc/61/61/68/1030616168.db2.gz PUFHGJYXDUXJSM-LJQANCHMSA-N 1 2 339.435 3.679 20 0 EHADLO CC1(C)Cc2cccc(C[N@H+]3CCO[C@@H](c4cccc(O)c4)C3)c2O1 ZINC000093457732 1030616177 /nfs/dbraw/zinc/61/61/77/1030616177.db2.gz PUFHGJYXDUXJSM-LJQANCHMSA-N 1 2 339.435 3.679 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000343403359 1030714306 /nfs/dbraw/zinc/71/43/06/1030714306.db2.gz NCWBJZQGPIGLLW-SJCJKPOMSA-N 1 2 333.407 3.856 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235834 1030724966 /nfs/dbraw/zinc/72/49/66/1030724966.db2.gz CHCQKUCELGWGQB-NSHDSACASA-N 1 2 347.846 3.939 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235834 1030724980 /nfs/dbraw/zinc/72/49/80/1030724980.db2.gz CHCQKUCELGWGQB-NSHDSACASA-N 1 2 347.846 3.939 20 0 EHADLO CN1CCN(Cc2c[nH+]cn2Cc2ccccc2)c2ccc(F)cc21 ZINC000527326078 1030797455 /nfs/dbraw/zinc/79/74/55/1030797455.db2.gz OQDMTIIJQYNOHZ-UHFFFAOYSA-N 1 2 336.414 3.527 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)s1 ZINC000130593887 1030799999 /nfs/dbraw/zinc/79/99/99/1030799999.db2.gz NEKGXBARGFDYLB-NSHDSACASA-N 1 2 333.457 3.523 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508624555 1030817705 /nfs/dbraw/zinc/81/77/05/1030817705.db2.gz FLYWYUDMOGYTBF-JTDSTZFVSA-N 1 2 348.487 3.546 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508624555 1030817729 /nfs/dbraw/zinc/81/77/29/1030817729.db2.gz FLYWYUDMOGYTBF-JTDSTZFVSA-N 1 2 348.487 3.546 20 0 EHADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000926532981 1030898712 /nfs/dbraw/zinc/89/87/12/1030898712.db2.gz VWDMCSBLHUAEEC-MADCSZMMSA-N 1 2 340.196 3.618 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248449 1030901713 /nfs/dbraw/zinc/90/17/13/1030901713.db2.gz WGOMCICHXYMEFN-ZBFHGGJFSA-N 1 2 345.512 3.984 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248449 1030901731 /nfs/dbraw/zinc/90/17/31/1030901731.db2.gz WGOMCICHXYMEFN-ZBFHGGJFSA-N 1 2 345.512 3.984 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000080540317 1030936411 /nfs/dbraw/zinc/93/64/11/1030936411.db2.gz VSVYLIIBWHDCIG-QGZVFWFLSA-N 1 2 340.471 3.816 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000531132676 1030940166 /nfs/dbraw/zinc/94/01/66/1030940166.db2.gz SSDSKAHHVKAZHQ-CQSZACIVSA-N 1 2 335.860 3.527 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(CCc2noc3ccccc32)CC1 ZINC000653490367 1030958589 /nfs/dbraw/zinc/95/85/89/1030958589.db2.gz CTPIHNQZENCUBU-TWGQIWQCSA-N 1 2 347.462 3.701 20 0 EHADLO Cc1cc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccn1 ZINC000527538659 1030996816 /nfs/dbraw/zinc/99/68/16/1030996816.db2.gz IANVYDJZOIEATM-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1cc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccn1 ZINC000527538659 1030996832 /nfs/dbraw/zinc/99/68/32/1030996832.db2.gz IANVYDJZOIEATM-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370988 1031003165 /nfs/dbraw/zinc/00/31/65/1031003165.db2.gz LNAKVNLJTCFXMT-XHBSWPGZSA-N 1 2 347.352 3.613 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370988 1031003176 /nfs/dbraw/zinc/00/31/76/1031003176.db2.gz LNAKVNLJTCFXMT-XHBSWPGZSA-N 1 2 347.352 3.613 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C[C@]2(CCOC2)O1 ZINC000483185750 1031030770 /nfs/dbraw/zinc/03/07/70/1031030770.db2.gz SDXVCDGNOLLQPO-LQAWEQHXSA-N 1 2 342.266 3.861 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C[C@]2(CCOC2)O1 ZINC000483185750 1031030787 /nfs/dbraw/zinc/03/07/87/1031030787.db2.gz SDXVCDGNOLLQPO-LQAWEQHXSA-N 1 2 342.266 3.861 20 0 EHADLO c1cn(CCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c2ccccc12 ZINC000343478328 1031053638 /nfs/dbraw/zinc/05/36/38/1031053638.db2.gz QMMUISPUBHFMTN-IBGZPJMESA-N 1 2 331.423 3.529 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247431220 1031060554 /nfs/dbraw/zinc/06/05/54/1031060554.db2.gz IIRVMUBCUGHDEE-GJYPPUQNSA-N 1 2 340.471 3.799 20 0 EHADLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)Cc1ccsc1 ZINC000568208999 1031064661 /nfs/dbraw/zinc/06/46/61/1031064661.db2.gz KXHUVEOQUSSHGW-ZDUSSCGKSA-N 1 2 327.453 3.798 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)o1 ZINC000527641317 1031066879 /nfs/dbraw/zinc/06/68/79/1031066879.db2.gz NGVPMPFEOCWRCU-ABAIWWIYSA-N 1 2 328.441 3.550 20 0 EHADLO CC(C)CC1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000158083407 1031076819 /nfs/dbraw/zinc/07/68/19/1031076819.db2.gz SUKMDVZKLUSXED-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1csc([C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)n1 ZINC000173411792 1031088437 /nfs/dbraw/zinc/08/84/37/1031088437.db2.gz NGLUGATZKRCOKI-INIZCTEOSA-N 1 2 338.436 3.518 20 0 EHADLO CC(C)[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000173505054 1031105996 /nfs/dbraw/zinc/10/59/96/1031105996.db2.gz LTMPDIAZBRZVOH-HXUWFJFHSA-N 1 2 337.467 3.606 20 0 EHADLO O[C@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccsc1 ZINC000760551217 1031114715 /nfs/dbraw/zinc/11/47/15/1031114715.db2.gz OMVVZAQXKKEIBL-MRXNPFEDSA-N 1 2 326.421 3.868 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3ncc(Br)cc3F)CC2)cc1 ZINC000527655804 1031117940 /nfs/dbraw/zinc/11/79/40/1031117940.db2.gz RFFYXSONILOHRA-UHFFFAOYSA-N 1 2 339.183 3.901 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000173631057 1031123660 /nfs/dbraw/zinc/12/36/60/1031123660.db2.gz BRMNFZPETUMXGN-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000173631057 1031123667 /nfs/dbraw/zinc/12/36/67/1031123667.db2.gz BRMNFZPETUMXGN-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO C[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000173986509 1031140188 /nfs/dbraw/zinc/14/01/88/1031140188.db2.gz IOFAOPAKJDDKSU-LBPRGKRZSA-N 1 2 325.437 3.636 20 0 EHADLO C[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000173986509 1031140197 /nfs/dbraw/zinc/14/01/97/1031140197.db2.gz IOFAOPAKJDDKSU-LBPRGKRZSA-N 1 2 325.437 3.636 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000174037781 1031158578 /nfs/dbraw/zinc/15/85/78/1031158578.db2.gz XRIFCDLGGJHYFL-HNNXBMFYSA-N 1 2 347.418 3.582 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H](CC)C(=O)OCC ZINC000483437573 1031169869 /nfs/dbraw/zinc/16/98/69/1031169869.db2.gz XBQUEBCBKOIRGP-INIZCTEOSA-N 1 2 347.484 3.759 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H](CC)C(=O)OCC ZINC000483437573 1031169880 /nfs/dbraw/zinc/16/98/80/1031169880.db2.gz XBQUEBCBKOIRGP-INIZCTEOSA-N 1 2 347.484 3.759 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000483443492 1031174172 /nfs/dbraw/zinc/17/41/72/1031174172.db2.gz XKEWHXNPYRTTBL-FQEVSTJZSA-N 1 2 339.435 3.594 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000483443492 1031174178 /nfs/dbraw/zinc/17/41/78/1031174178.db2.gz XKEWHXNPYRTTBL-FQEVSTJZSA-N 1 2 339.435 3.594 20 0 EHADLO CC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174210236 1031176159 /nfs/dbraw/zinc/17/61/59/1031176159.db2.gz PRTUGEXQVLSTQJ-HZPDHXFCSA-N 1 2 326.444 3.765 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000483528294 1031200213 /nfs/dbraw/zinc/20/02/13/1031200213.db2.gz CRJDNAPPNLPGRO-QGZVFWFLSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000483528294 1031200220 /nfs/dbraw/zinc/20/02/20/1031200220.db2.gz CRJDNAPPNLPGRO-QGZVFWFLSA-N 1 2 344.842 3.734 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000174366929 1031204758 /nfs/dbraw/zinc/20/47/58/1031204758.db2.gz KOROORNKUSUJAZ-SJORKVTESA-N 1 2 329.469 3.619 20 0 EHADLO CCC[C@@](C)(CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000483597344 1031233232 /nfs/dbraw/zinc/23/32/32/1031233232.db2.gz DWTGBLWRQQULGK-HXUWFJFHSA-N 1 2 332.488 3.982 20 0 EHADLO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)c4noc(C)n4)CC3)c2c1 ZINC000278527789 1031239339 /nfs/dbraw/zinc/23/93/39/1031239339.db2.gz DKPSRIUCBYZYEM-LBPRGKRZSA-N 1 2 340.427 3.809 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278562232 1031399481 /nfs/dbraw/zinc/39/94/81/1031399481.db2.gz BOWXWEYDDQERDG-QWRGUYRKSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278562232 1031399490 /nfs/dbraw/zinc/39/94/90/1031399490.db2.gz BOWXWEYDDQERDG-QWRGUYRKSA-N 1 2 325.334 3.671 20 0 EHADLO C/C(=C\C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000175964097 1031401378 /nfs/dbraw/zinc/40/13/78/1031401378.db2.gz NLUGBDHCHOHZQB-SDNWHVSQSA-N 1 2 329.831 3.804 20 0 EHADLO CC(C)c1ncsc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000448680824 1031415140 /nfs/dbraw/zinc/41/51/40/1031415140.db2.gz KIQNHQPJKHYJKJ-LBPRGKRZSA-N 1 2 349.525 3.505 20 0 EHADLO CC(C)c1ncsc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000448680824 1031415143 /nfs/dbraw/zinc/41/51/43/1031415143.db2.gz KIQNHQPJKHYJKJ-LBPRGKRZSA-N 1 2 349.525 3.505 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000484010445 1031417876 /nfs/dbraw/zinc/41/78/76/1031417876.db2.gz QKMJQASTKARNNW-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000484010445 1031417882 /nfs/dbraw/zinc/41/78/82/1031417882.db2.gz QKMJQASTKARNNW-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668298078 1031421015 /nfs/dbraw/zinc/42/10/15/1031421015.db2.gz LVQYAKRJRRGDDD-IYARVYRRSA-N 1 2 329.488 3.996 20 0 EHADLO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCCCNc1cccc[nH+]1 ZINC000668298245 1031424060 /nfs/dbraw/zinc/42/40/60/1031424060.db2.gz RNJKCRJANVTYOG-YOEHRIQHSA-N 1 2 337.414 3.606 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000278571680 1031442923 /nfs/dbraw/zinc/44/29/23/1031442923.db2.gz JGGGDLARXILLLY-AWEZNQCLSA-N 1 2 341.238 3.562 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000278571680 1031442934 /nfs/dbraw/zinc/44/29/34/1031442934.db2.gz JGGGDLARXILLLY-AWEZNQCLSA-N 1 2 341.238 3.562 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1CCC=CCC1 ZINC000635410493 1031449702 /nfs/dbraw/zinc/44/97/02/1031449702.db2.gz CAAOAJIYPXNDTJ-UHFFFAOYSA-N 1 2 325.412 3.647 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000083645749 1031507225 /nfs/dbraw/zinc/50/72/25/1031507225.db2.gz WNUOBHGXJVBUOQ-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527983617 1031520240 /nfs/dbraw/zinc/52/02/40/1031520240.db2.gz WVRRSHXNLUPUIV-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO Cn1cc(Br)cc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC000151550095 1031576709 /nfs/dbraw/zinc/57/67/09/1031576709.db2.gz PMXXTKSLZAAFFQ-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000151550095 1031576713 /nfs/dbraw/zinc/57/67/13/1031576713.db2.gz PMXXTKSLZAAFFQ-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000080630176 1031596414 /nfs/dbraw/zinc/59/64/14/1031596414.db2.gz GLGKHRPHHNDPFB-APWZRJJASA-N 1 2 340.471 3.825 20 0 EHADLO O=C([O-])CC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000904016411 1031605697 /nfs/dbraw/zinc/60/56/97/1031605697.db2.gz AOTGZWHAMFIAHI-UHFFFAOYSA-N 1 2 347.484 3.839 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)OC2CCCCCC2)c1C ZINC000178075542 1031621936 /nfs/dbraw/zinc/62/19/36/1031621936.db2.gz CQNFSFJLXSEFTM-MRXNPFEDSA-N 1 2 348.487 3.793 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000178219097 1031643097 /nfs/dbraw/zinc/64/30/97/1031643097.db2.gz GMAYFSJJXUAYKX-UHFFFAOYSA-N 1 2 347.378 3.675 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)csc2C1 ZINC000347465174 1031654283 /nfs/dbraw/zinc/65/42/83/1031654283.db2.gz JVKNWELPUIKXLK-KBPBESRZSA-N 1 2 343.496 3.626 20 0 EHADLO O=C(/C=C/c1cccs1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278617537 1031670763 /nfs/dbraw/zinc/67/07/63/1031670763.db2.gz BPJWXRFUGONIAG-VOTSOKGWSA-N 1 2 341.480 3.700 20 0 EHADLO O=C(CSc1ccc2ccccc2c1)NCc1ccn2cc[nH+]c2c1 ZINC000178370062 1031690396 /nfs/dbraw/zinc/69/03/96/1031690396.db2.gz PBORDXFBLJNGJB-UHFFFAOYSA-N 1 2 347.443 3.896 20 0 EHADLO Cc1cccn2cc(Cc3noc(CC4(c5ccccc5)CC4)n3)[nH+]c12 ZINC000528119441 1031751989 /nfs/dbraw/zinc/75/19/89/1031751989.db2.gz ANQJOQRGLXGILZ-UHFFFAOYSA-N 1 2 344.418 3.891 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741837 1031761297 /nfs/dbraw/zinc/76/12/97/1031761297.db2.gz JCSAJYMGUWNRDM-AGIUHOORSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741837 1031761300 /nfs/dbraw/zinc/76/13/00/1031761300.db2.gz JCSAJYMGUWNRDM-AGIUHOORSA-N 1 2 339.277 3.754 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccncc2)n1 ZINC000179849780 1031812337 /nfs/dbraw/zinc/81/23/37/1031812337.db2.gz WFIZGULAMMLUQL-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO Cn1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccncc2)n1 ZINC000179849780 1031812353 /nfs/dbraw/zinc/81/23/53/1031812353.db2.gz WFIZGULAMMLUQL-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO c1cn(CCCSc2ncnc3sc4c(c32)CCCC4)c[nH+]1 ZINC000180429445 1031851425 /nfs/dbraw/zinc/85/14/25/1031851425.db2.gz LVIKRAZSPBFORN-UHFFFAOYSA-N 1 2 330.482 3.949 20 0 EHADLO c1scc2sc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc12 ZINC000528184220 1031858440 /nfs/dbraw/zinc/85/84/40/1031858440.db2.gz XXYCLKVKMGEQRV-NWDGAFQWSA-N 1 2 347.465 3.939 20 0 EHADLO c1scc2sc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc12 ZINC000528184220 1031858457 /nfs/dbraw/zinc/85/84/57/1031858457.db2.gz XXYCLKVKMGEQRV-NWDGAFQWSA-N 1 2 347.465 3.939 20 0 EHADLO Cc1cc(Cl)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000180467231 1031859002 /nfs/dbraw/zinc/85/90/02/1031859002.db2.gz XFGSFAYLESSQSR-UHFFFAOYSA-N 1 2 343.858 3.751 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccn1C1CCCC1 ZINC000180323653 1031876167 /nfs/dbraw/zinc/87/61/67/1031876167.db2.gz VLSOCFMNMZIETC-UHFFFAOYSA-N 1 2 348.450 3.778 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2cccc(Br)c2C)nn1C ZINC000584182985 1031885260 /nfs/dbraw/zinc/88/52/60/1031885260.db2.gz QVWYFVABWWZRTL-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO CCc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000159140495 1031895605 /nfs/dbraw/zinc/89/56/05/1031895605.db2.gz VWDSCRVZFDBFKE-UHFFFAOYSA-N 1 2 342.418 3.574 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)CCc2ccccc2F)n1 ZINC000904269395 1031896003 /nfs/dbraw/zinc/89/60/03/1031896003.db2.gz DWNSNTVEPMNSJV-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO O=C(C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1cccc(Cl)c1 ZINC000584206336 1031921856 /nfs/dbraw/zinc/92/18/56/1031921856.db2.gz TXYSTRJLANIRLG-UHFFFAOYSA-N 1 2 342.826 3.532 20 0 EHADLO O=C(C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1cccc(Cl)c1 ZINC000584206336 1031921864 /nfs/dbraw/zinc/92/18/64/1031921864.db2.gz TXYSTRJLANIRLG-UHFFFAOYSA-N 1 2 342.826 3.532 20 0 EHADLO FC(F)(F)c1cccc2c1CN(c1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000528221600 1031922156 /nfs/dbraw/zinc/92/21/56/1031922156.db2.gz UELFXAOBUDSKCP-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO FC(F)(F)c1cccc2c1CN(c1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000528221600 1031922165 /nfs/dbraw/zinc/92/21/65/1031922165.db2.gz UELFXAOBUDSKCP-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000180932026 1031924798 /nfs/dbraw/zinc/92/47/98/1031924798.db2.gz LOTYGJQXRKZKOK-INIZCTEOSA-N 1 2 349.434 3.737 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000180932026 1031924813 /nfs/dbraw/zinc/92/48/13/1031924813.db2.gz LOTYGJQXRKZKOK-INIZCTEOSA-N 1 2 349.434 3.737 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]1CCc1ccccc1 ZINC000537834572 1031949115 /nfs/dbraw/zinc/94/91/15/1031949115.db2.gz FXQMARWHGNXQOA-GOSISDBHSA-N 1 2 346.434 3.505 20 0 EHADLO Cn1c(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)nnc1C1CCC1 ZINC000181344694 1031976540 /nfs/dbraw/zinc/97/65/40/1031976540.db2.gz JHRAMHBFPUPKJL-UHFFFAOYSA-N 1 2 328.435 3.634 20 0 EHADLO Cn1c(C[N@H+](Cc2ccc(F)cc2)CC2CC2)nnc1C1CCC1 ZINC000181344694 1031976545 /nfs/dbraw/zinc/97/65/45/1031976545.db2.gz JHRAMHBFPUPKJL-UHFFFAOYSA-N 1 2 328.435 3.634 20 0 EHADLO Cc1nonc1[C@@H](C)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000924646457 1031984307 /nfs/dbraw/zinc/98/43/07/1031984307.db2.gz BQWRFCRESGPXIY-MLGOLLRUSA-N 1 2 334.851 3.519 20 0 EHADLO Cn1c(C[N@H+](C)CCCOc2ccc(Cl)cc2)nnc1C1CCC1 ZINC000181128047 1031986466 /nfs/dbraw/zinc/98/64/66/1031986466.db2.gz DEHKZICCWSZCEC-UHFFFAOYSA-N 1 2 348.878 3.637 20 0 EHADLO Cn1c(C[N@@H+](C)CCCOc2ccc(Cl)cc2)nnc1C1CCC1 ZINC000181128047 1031986476 /nfs/dbraw/zinc/98/64/76/1031986476.db2.gz DEHKZICCWSZCEC-UHFFFAOYSA-N 1 2 348.878 3.637 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1O ZINC000117985280 1031989693 /nfs/dbraw/zinc/98/96/93/1031989693.db2.gz WUQTTWOMMHAIKK-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347487528 1031989771 /nfs/dbraw/zinc/98/97/71/1031989771.db2.gz RAWDMRZIGIGNEA-HKUYNNGSSA-N 1 2 339.483 3.785 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000455810053 1032012862 /nfs/dbraw/zinc/01/28/62/1032012862.db2.gz PKJMOUDMXZFGKK-UHFFFAOYSA-N 1 2 334.370 3.817 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000536646013 1032053162 /nfs/dbraw/zinc/05/31/62/1032053162.db2.gz GPAKHGDCMFFAEA-OAHLLOKOSA-N 1 2 339.361 3.620 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000536646013 1032053171 /nfs/dbraw/zinc/05/31/71/1032053171.db2.gz GPAKHGDCMFFAEA-OAHLLOKOSA-N 1 2 339.361 3.620 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000449009484 1032055097 /nfs/dbraw/zinc/05/50/97/1032055097.db2.gz NVIODHBLTZEVDK-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@@H+]2C/C=C\c2ccc(F)c(F)c2)cn1 ZINC000685429260 1033327477 /nfs/dbraw/zinc/32/74/77/1033327477.db2.gz UMPVQQANJGRYQQ-KYVUIXNKSA-N 1 2 335.423 3.502 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@H+]2C/C=C\c2ccc(F)c(F)c2)cn1 ZINC000685429260 1033327493 /nfs/dbraw/zinc/32/74/93/1033327493.db2.gz UMPVQQANJGRYQQ-KYVUIXNKSA-N 1 2 335.423 3.502 20 0 EHADLO Cc1cccc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)n1 ZINC000346142782 1033327761 /nfs/dbraw/zinc/32/77/61/1033327761.db2.gz CJKJOVBLMNYRED-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442783 1033337463 /nfs/dbraw/zinc/33/74/63/1033337463.db2.gz JWTANAYWNYCUSY-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442783 1033337478 /nfs/dbraw/zinc/33/74/78/1033337478.db2.gz JWTANAYWNYCUSY-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171714350 1033338737 /nfs/dbraw/zinc/33/87/37/1033338737.db2.gz PYPDFNYSWVBNNO-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO CCC[C@H](CC(C)C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000449872862 1033350157 /nfs/dbraw/zinc/35/01/57/1033350157.db2.gz RZOGUHUIXNXOKV-QZTJIDSGSA-N 1 2 331.504 3.749 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccccc2Cl)c1C ZINC000050448699 1033364124 /nfs/dbraw/zinc/36/41/24/1033364124.db2.gz JWMOSRPQGKXOCW-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173487011 1033368409 /nfs/dbraw/zinc/36/84/09/1033368409.db2.gz YFKJIZVRIMOLGV-OLZOCXBDSA-N 1 2 328.551 3.733 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173487011 1033368416 /nfs/dbraw/zinc/36/84/16/1033368416.db2.gz YFKJIZVRIMOLGV-OLZOCXBDSA-N 1 2 328.551 3.733 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000449903324 1033401979 /nfs/dbraw/zinc/40/19/79/1033401979.db2.gz MTFPFFAEAPPFDK-OALUTQOASA-N 1 2 344.499 3.982 20 0 EHADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171756610 1033414406 /nfs/dbraw/zinc/41/44/06/1033414406.db2.gz RCYZKZPLIYHTQG-SECBINFHSA-N 1 2 344.267 3.556 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105290573 1033452534 /nfs/dbraw/zinc/45/25/34/1033452534.db2.gz PUFLYISDQLLMEF-SFHVURJKSA-N 1 2 338.455 3.569 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608118160 1033479727 /nfs/dbraw/zinc/47/97/27/1033479727.db2.gz YUMWMZNCMKKSRO-INIZCTEOSA-N 1 2 340.442 3.526 20 0 EHADLO CCCOc1cccc2c(N3C[C@@H]4CC[C@H](O)C[C@@H]4C3)cc[nH+]c12 ZINC000413573653 1033530278 /nfs/dbraw/zinc/53/02/78/1033530278.db2.gz JSOJALIFXSHJHW-XHSDSOJGSA-N 1 2 326.440 3.621 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000449986641 1033553461 /nfs/dbraw/zinc/55/34/61/1033553461.db2.gz BNERSNKFMIJFKI-SJORKVTESA-N 1 2 325.456 3.747 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000106240908 1033560089 /nfs/dbraw/zinc/56/00/89/1033560089.db2.gz KUDSWVWHHCVPSX-DZKIICNBSA-N 1 2 331.485 3.840 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@]12C[C@@H]1CCC2 ZINC000666895580 1033563293 /nfs/dbraw/zinc/56/32/93/1033563293.db2.gz USCXQUMIZGOTLU-YWZLYKJASA-N 1 2 336.439 3.951 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccncc1 ZINC000368357725 1033590661 /nfs/dbraw/zinc/59/06/61/1033590661.db2.gz NCFMFCLWSYHHKK-SCLBCKFNSA-N 1 2 326.831 3.909 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685587441 1033593295 /nfs/dbraw/zinc/59/32/95/1033593295.db2.gz HGLGTTSHXZITAY-WQVCFCJDSA-N 1 2 336.863 3.556 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685587441 1033593298 /nfs/dbraw/zinc/59/32/98/1033593298.db2.gz HGLGTTSHXZITAY-WQVCFCJDSA-N 1 2 336.863 3.556 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000173933783 1033612029 /nfs/dbraw/zinc/61/20/29/1033612029.db2.gz BUAZXKZMJGAEMY-UHFFFAOYSA-N 1 2 338.455 3.543 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccccc1Cl ZINC000608314025 1033613449 /nfs/dbraw/zinc/61/34/49/1033613449.db2.gz ZTBRWZNUMVTYDO-LBPRGKRZSA-N 1 2 344.802 3.577 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1C ZINC000595024844 1033616644 /nfs/dbraw/zinc/61/66/44/1033616644.db2.gz CLNZJGVJRLOBGW-INIZCTEOSA-N 1 2 348.487 3.611 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)s1 ZINC000685632013 1033644097 /nfs/dbraw/zinc/64/40/97/1033644097.db2.gz VQKYIBBZRNBEFX-GFCCVEGCSA-N 1 2 335.473 3.576 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761091224 1033671638 /nfs/dbraw/zinc/67/16/38/1033671638.db2.gz VDPLYHYLXPZPDU-MPPDQPJWSA-N 1 2 329.469 3.677 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761091224 1033671645 /nfs/dbraw/zinc/67/16/45/1033671645.db2.gz VDPLYHYLXPZPDU-MPPDQPJWSA-N 1 2 329.469 3.677 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608415136 1033672717 /nfs/dbraw/zinc/67/27/17/1033672717.db2.gz UUICYMKAZHFSSV-DLBZAZTESA-N 1 2 328.460 3.582 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(C3CCOCC3)c2)cc(C)[nH+]1 ZINC000529261872 1033681953 /nfs/dbraw/zinc/68/19/53/1033681953.db2.gz QWASCEBCKWAHDJ-UHFFFAOYSA-N 1 2 339.439 3.914 20 0 EHADLO Clc1csc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001232281754 1033724587 /nfs/dbraw/zinc/72/45/87/1033724587.db2.gz QBGBYYQOVHOXHN-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655768217 1033738034 /nfs/dbraw/zinc/73/80/34/1033738034.db2.gz SCIWKSRMVYFQOG-INIZCTEOSA-N 1 2 328.460 3.718 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655768218 1033739227 /nfs/dbraw/zinc/73/92/27/1033739227.db2.gz SCIWKSRMVYFQOG-MRXNPFEDSA-N 1 2 328.460 3.718 20 0 EHADLO c1cn(Cc2ccccc2)c(C[NH2+]Cc2ccc3ccccc3n2)n1 ZINC000343807588 1033743320 /nfs/dbraw/zinc/74/33/20/1033743320.db2.gz LTBXSCIWUZAOEE-UHFFFAOYSA-N 1 2 328.419 3.769 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2F)[C@@H](C)C1 ZINC000575063414 1033773932 /nfs/dbraw/zinc/77/39/32/1033773932.db2.gz UTEPMGUENDZPRC-CABZTGNLSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2F)[C@@H](C)C1 ZINC000575063414 1033773948 /nfs/dbraw/zinc/77/39/48/1033773948.db2.gz UTEPMGUENDZPRC-CABZTGNLSA-N 1 2 334.204 3.727 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)[nH+]c12 ZINC000548854273 1033767128 /nfs/dbraw/zinc/76/71/28/1033767128.db2.gz CKQIYWLGYKJRPA-IBGZPJMESA-N 1 2 339.414 3.838 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000599171947 1033786124 /nfs/dbraw/zinc/78/61/24/1033786124.db2.gz MDYDOXZBEXCRQS-SFHVURJKSA-N 1 2 328.437 3.709 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000063858736 1033792354 /nfs/dbraw/zinc/79/23/54/1033792354.db2.gz LCCXTXCYQWQKTM-INIZCTEOSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000063858736 1033792367 /nfs/dbraw/zinc/79/23/67/1033792367.db2.gz LCCXTXCYQWQKTM-INIZCTEOSA-N 1 2 343.500 3.889 20 0 EHADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000093359419 1033795363 /nfs/dbraw/zinc/79/53/63/1033795363.db2.gz VOEWLYQSTZHLIV-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000093359419 1033795376 /nfs/dbraw/zinc/79/53/76/1033795376.db2.gz VOEWLYQSTZHLIV-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000599301602 1033862277 /nfs/dbraw/zinc/86/22/77/1033862277.db2.gz RZDIBOUAPGGPKH-OAHLLOKOSA-N 1 2 349.887 3.810 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000599301602 1033862288 /nfs/dbraw/zinc/86/22/88/1033862288.db2.gz RZDIBOUAPGGPKH-OAHLLOKOSA-N 1 2 349.887 3.810 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2=C(c3ccccc3)CCC2)C1 ZINC000450201061 1033884276 /nfs/dbraw/zinc/88/42/76/1033884276.db2.gz XVWVKKGWINGUAW-QGZVFWFLSA-N 1 2 349.478 3.839 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000608756664 1033886232 /nfs/dbraw/zinc/88/62/32/1033886232.db2.gz GDBOKPDSJIUBNM-WMLDXEAASA-N 1 2 345.443 3.846 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000608756664 1033886252 /nfs/dbraw/zinc/88/62/52/1033886252.db2.gz GDBOKPDSJIUBNM-WMLDXEAASA-N 1 2 345.443 3.846 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1F ZINC000192973972 1033895844 /nfs/dbraw/zinc/89/58/44/1033895844.db2.gz IEUYGCHUJRDWCU-UHFFFAOYSA-N 1 2 325.387 3.809 20 0 EHADLO Fc1cc2[nH+]ccc(NCc3nnc4n3CCCCC4)c2cc1Cl ZINC000450222544 1033932085 /nfs/dbraw/zinc/93/20/85/1033932085.db2.gz DOBWSPWZRKUEHQ-UHFFFAOYSA-N 1 2 345.809 3.957 20 0 EHADLO COC(=O)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000120579270 1033937416 /nfs/dbraw/zinc/93/74/16/1033937416.db2.gz UYUDMAXIACYODF-IBGZPJMESA-N 1 2 347.418 3.539 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1C(=O)c1ccccc1 ZINC000603808569 1033939516 /nfs/dbraw/zinc/93/95/16/1033939516.db2.gz BOXSANDCEWIOFP-UHFFFAOYSA-N 1 2 341.370 3.818 20 0 EHADLO Cc1ccc(C[N@@H+](CN2C(=O)c3ccccc3C2=O)C(C)C)s1 ZINC000064028086 1033944366 /nfs/dbraw/zinc/94/43/66/1033944366.db2.gz UDQJGKLHFKSXPD-UHFFFAOYSA-N 1 2 328.437 3.521 20 0 EHADLO Cc1ccc(C[N@H+](CN2C(=O)c3ccccc3C2=O)C(C)C)s1 ZINC000064028086 1033944370 /nfs/dbraw/zinc/94/43/70/1033944370.db2.gz UDQJGKLHFKSXPD-UHFFFAOYSA-N 1 2 328.437 3.521 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000669700010 1033957938 /nfs/dbraw/zinc/95/79/38/1033957938.db2.gz LOUMUFNVLSRUAO-MLGOLLRUSA-N 1 2 341.377 3.786 20 0 EHADLO O=C(/C=C/c1ccnc2ccccc12)NCCCCNc1cccc[nH+]1 ZINC000117791254 1033982851 /nfs/dbraw/zinc/98/28/51/1033982851.db2.gz BUTBOCBKNBRVNZ-ZHACJKMWSA-N 1 2 346.434 3.652 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063134 1033982887 /nfs/dbraw/zinc/98/28/87/1033982887.db2.gz FQGBOMVQTSZSDT-RBUKOAKNSA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063134 1033982896 /nfs/dbraw/zinc/98/28/96/1033982896.db2.gz FQGBOMVQTSZSDT-RBUKOAKNSA-N 1 2 337.467 3.775 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3(C(F)(F)F)CCCCC3)[nH+]c12 ZINC000603881406 1034005264 /nfs/dbraw/zinc/00/52/64/1034005264.db2.gz BFMPKVSHRMCVMZ-UHFFFAOYSA-N 1 2 339.361 3.567 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000603885372 1034010539 /nfs/dbraw/zinc/01/05/39/1034010539.db2.gz RWRKKGDUWNRRJV-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579232 1034021603 /nfs/dbraw/zinc/02/16/03/1034021603.db2.gz AHEPNAQHDLPKCF-UKRRQHHQSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579232 1034021617 /nfs/dbraw/zinc/02/16/17/1034021617.db2.gz AHEPNAQHDLPKCF-UKRRQHHQSA-N 1 2 336.476 3.772 20 0 EHADLO CCCN(CC1CC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869474 1034027302 /nfs/dbraw/zinc/02/73/02/1034027302.db2.gz SYQLVOUBMNCIEE-GOSISDBHSA-N 1 2 340.471 3.536 20 0 EHADLO CCn1cc(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)nn1 ZINC000658176539 1034042205 /nfs/dbraw/zinc/04/22/05/1034042205.db2.gz NLCZNCVBMKAMHG-KRWDZBQOSA-N 1 2 326.444 3.614 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)c(F)c2)cc1 ZINC000603917354 1034044010 /nfs/dbraw/zinc/04/40/10/1034044010.db2.gz PZIMSLFSNWAWKL-UHFFFAOYSA-N 1 2 335.382 3.695 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450304703 1034059220 /nfs/dbraw/zinc/05/92/20/1034059220.db2.gz SGMBQOJMNQSQBC-INIZCTEOSA-N 1 2 329.469 3.934 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450304703 1034059238 /nfs/dbraw/zinc/05/92/38/1034059238.db2.gz SGMBQOJMNQSQBC-INIZCTEOSA-N 1 2 329.469 3.934 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000603944163 1034061756 /nfs/dbraw/zinc/06/17/56/1034061756.db2.gz IGXVRBKFRQQAAI-SFHVURJKSA-N 1 2 330.378 3.913 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000603944163 1034061762 /nfs/dbraw/zinc/06/17/62/1034061762.db2.gz IGXVRBKFRQQAAI-SFHVURJKSA-N 1 2 330.378 3.913 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000612109946 1034067820 /nfs/dbraw/zinc/06/78/20/1034067820.db2.gz ZZMSFPZDWKORFX-ZIAGYGMSSA-N 1 2 337.345 3.657 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000599652071 1034087264 /nfs/dbraw/zinc/08/72/64/1034087264.db2.gz DWECVNSEPFKMJM-JMSVASOKSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000599652071 1034087280 /nfs/dbraw/zinc/08/72/80/1034087280.db2.gz DWECVNSEPFKMJM-JMSVASOKSA-N 1 2 343.254 3.552 20 0 EHADLO Brc1cccc2c(N[C@H]3CCO[C@H]3C3CC3)cc[nH+]c12 ZINC000534062585 1034090599 /nfs/dbraw/zinc/09/05/99/1034090599.db2.gz KPAWKIJSOCGLLR-HOCLYGCPSA-N 1 2 333.229 3.977 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc(-c3ccco3)n2)[C@H](C)C1 ZINC000599712826 1034119876 /nfs/dbraw/zinc/11/98/76/1034119876.db2.gz XKKGTJLLWRKORT-VXGBXAGGSA-N 1 2 334.441 3.565 20 0 EHADLO CC1(C(N)=O)CC[NH+](Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001231604129 1034138096 /nfs/dbraw/zinc/13/80/96/1034138096.db2.gz JLRUKXVAWGWHFK-UHFFFAOYSA-N 1 2 335.662 3.734 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529535977 1034163125 /nfs/dbraw/zinc/16/31/25/1034163125.db2.gz VHAOUNVNQSOFMT-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529535977 1034163133 /nfs/dbraw/zinc/16/31/33/1034163133.db2.gz VHAOUNVNQSOFMT-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000529563491 1034178618 /nfs/dbraw/zinc/17/86/18/1034178618.db2.gz BJSHREYJXDIFJE-GOSISDBHSA-N 1 2 339.483 3.807 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120837243 1034181205 /nfs/dbraw/zinc/18/12/05/1034181205.db2.gz CLGLYEPIPQQXMQ-AEFFLSMTSA-N 1 2 331.504 3.808 20 0 EHADLO CCC(CC)[C@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000534138253 1034184654 /nfs/dbraw/zinc/18/46/54/1034184654.db2.gz TZQDNMOOQZIQAU-HNNXBMFYSA-N 1 2 329.444 3.973 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000529554437 1034187612 /nfs/dbraw/zinc/18/76/12/1034187612.db2.gz BCIXYGPXSZOQNQ-JMSVASOKSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000529554437 1034187617 /nfs/dbraw/zinc/18/76/17/1034187617.db2.gz BCIXYGPXSZOQNQ-JMSVASOKSA-N 1 2 349.418 3.925 20 0 EHADLO COCCOC[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450358616 1034195501 /nfs/dbraw/zinc/19/55/01/1034195501.db2.gz BOHGIBJPCYYIEX-LBPRGKRZSA-N 1 2 338.810 3.517 20 0 EHADLO COCC[N@H+](Cc1ccsc1C(F)(F)F)Cc1cccnc1 ZINC000529568898 1034221580 /nfs/dbraw/zinc/22/15/80/1034221580.db2.gz ZUEIKIXBOZMFEA-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO COCC[N@@H+](Cc1ccsc1C(F)(F)F)Cc1cccnc1 ZINC000529568898 1034221593 /nfs/dbraw/zinc/22/15/93/1034221593.db2.gz ZUEIKIXBOZMFEA-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000604109428 1034222061 /nfs/dbraw/zinc/22/20/61/1034222061.db2.gz YLILEAHLKSWKNV-QGZVFWFLSA-N 1 2 340.471 3.840 20 0 EHADLO FC(F)(F)Cn1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000450405279 1034282797 /nfs/dbraw/zinc/28/27/97/1034282797.db2.gz DUSVVAFIZPEKJQ-HNNXBMFYSA-N 1 2 341.402 3.736 20 0 EHADLO FC(F)(F)Cn1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000450405279 1034282815 /nfs/dbraw/zinc/28/28/15/1034282815.db2.gz DUSVVAFIZPEKJQ-HNNXBMFYSA-N 1 2 341.402 3.736 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000191575213 1034317107 /nfs/dbraw/zinc/31/71/07/1034317107.db2.gz ZDVJNCOOPTZGOM-CYBMUJFWSA-N 1 2 339.443 3.916 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614623 1034323419 /nfs/dbraw/zinc/32/34/19/1034323419.db2.gz VQYKIAYLTLMADR-ZBFHGGJFSA-N 1 2 347.484 3.675 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614623 1034323433 /nfs/dbraw/zinc/32/34/33/1034323433.db2.gz VQYKIAYLTLMADR-ZBFHGGJFSA-N 1 2 347.484 3.675 20 0 EHADLO CC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1 ZINC000450437420 1034328932 /nfs/dbraw/zinc/32/89/32/1034328932.db2.gz KMKHQTRFCQYCPJ-XOBRGWDASA-N 1 2 327.399 3.990 20 0 EHADLO CC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1 ZINC000450437420 1034328943 /nfs/dbraw/zinc/32/89/43/1034328943.db2.gz KMKHQTRFCQYCPJ-XOBRGWDASA-N 1 2 327.399 3.990 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685710821 1034338152 /nfs/dbraw/zinc/33/81/52/1034338152.db2.gz CKDFWXZRUOKXKY-MOPGFXCFSA-N 1 2 339.483 3.805 20 0 EHADLO Cc1cc(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C)c[nH+]1 ZINC000548880030 1034356130 /nfs/dbraw/zinc/35/61/30/1034356130.db2.gz WYFCRUBUCPREEK-KPZWWZAWSA-N 1 2 329.831 3.831 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(C)c[nH+]1 ZINC000534299521 1034358296 /nfs/dbraw/zinc/35/82/96/1034358296.db2.gz JPLMTDRHEFYLRS-CABCVRRESA-N 1 2 345.240 3.625 20 0 EHADLO CN(CCCCCO)c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450480103 1034403160 /nfs/dbraw/zinc/40/31/60/1034403160.db2.gz AFMJJMWTSFCOEQ-UHFFFAOYSA-N 1 2 341.224 3.735 20 0 EHADLO C[C@H]1COCC[C@H]1Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450491346 1034424070 /nfs/dbraw/zinc/42/40/70/1034424070.db2.gz WSAZSTYPOHPBAT-TVQRCGJNSA-N 1 2 339.208 3.973 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC000761203478 1034432095 /nfs/dbraw/zinc/43/20/95/1034432095.db2.gz TWMFQZXMDZRBHO-QGZVFWFLSA-N 1 2 348.487 3.672 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC000761203478 1034432100 /nfs/dbraw/zinc/43/21/00/1034432100.db2.gz TWMFQZXMDZRBHO-QGZVFWFLSA-N 1 2 348.487 3.672 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)C(=O)OC(C)(C)C ZINC000596912963 1034452003 /nfs/dbraw/zinc/45/20/03/1034452003.db2.gz PSUQBBZCXDCAAM-CQSZACIVSA-N 1 2 335.448 3.591 20 0 EHADLO C[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)s1 ZINC000121151093 1034475434 /nfs/dbraw/zinc/47/54/34/1034475434.db2.gz QOGJGAOQCFUIFH-YPMHNXCESA-N 1 2 336.844 3.580 20 0 EHADLO COc1cc2c(cc1C[NH2+]C(C)(C)c1nc(C)cs1)O[C@H](C)C2 ZINC000604771518 1034487713 /nfs/dbraw/zinc/48/77/13/1034487713.db2.gz DUSKQBNWVKCULB-GFCCVEGCSA-N 1 2 332.469 3.808 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H]1C ZINC000450538186 1034513025 /nfs/dbraw/zinc/51/30/25/1034513025.db2.gz FKJPQSJBODLBAG-LMMKCTJWSA-N 1 2 331.504 3.974 20 0 EHADLO CSc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000450538831 1034513943 /nfs/dbraw/zinc/51/39/43/1034513943.db2.gz HRKZAXQDDDRXTA-UHFFFAOYSA-N 1 2 343.496 3.938 20 0 EHADLO CC(C)c1ccc(CCCNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000604896582 1034537251 /nfs/dbraw/zinc/53/72/51/1034537251.db2.gz FOFGRHYKELMKHZ-UHFFFAOYSA-N 1 2 342.487 3.719 20 0 EHADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605685 1034559600 /nfs/dbraw/zinc/55/96/00/1034559600.db2.gz ATBVMJVIPTXBIC-GHMZBOCLSA-N 1 2 332.404 3.759 20 0 EHADLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605685 1034559606 /nfs/dbraw/zinc/55/96/06/1034559606.db2.gz ATBVMJVIPTXBIC-GHMZBOCLSA-N 1 2 332.404 3.759 20 0 EHADLO CC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC(F)(F)CC1 ZINC000529805621 1034599852 /nfs/dbraw/zinc/59/98/52/1034599852.db2.gz ZRRWTRFSCNXOQA-UHFFFAOYSA-N 1 2 347.409 3.558 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000450639231 1034602574 /nfs/dbraw/zinc/60/25/74/1034602574.db2.gz FASMJONHSCLAEK-CHWSQXEVSA-N 1 2 348.434 3.932 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2cc(F)ccc2o1 ZINC000605095105 1034626924 /nfs/dbraw/zinc/62/69/24/1034626924.db2.gz XTTDZJQWZXUWON-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528863 1034648052 /nfs/dbraw/zinc/64/80/52/1034648052.db2.gz WEILJBQKLONHDO-RCCFBDPRSA-N 1 2 347.528 3.544 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000605156434 1034655621 /nfs/dbraw/zinc/65/56/21/1034655621.db2.gz UXGDCROFPQNMOO-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000605156434 1034655629 /nfs/dbraw/zinc/65/56/29/1034655629.db2.gz UXGDCROFPQNMOO-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO COCOc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001211633077 1034689831 /nfs/dbraw/zinc/68/98/31/1034689831.db2.gz LBRMZJIFPRTAES-UHFFFAOYSA-N 1 2 348.200 3.823 20 0 EHADLO C[C@H]([NH2+]Cc1cnn2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000278788524 1034691683 /nfs/dbraw/zinc/69/16/83/1034691683.db2.gz QHHXNJADKYSVAU-VIFPVBQESA-N 1 2 326.347 3.660 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2csc(C3CC3)n2)CC1 ZINC000375847446 1034710750 /nfs/dbraw/zinc/71/07/50/1034710750.db2.gz BBDHPSKIRHUZDI-UHFFFAOYSA-N 1 2 331.460 3.872 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2csc(C3CC3)n2)CC1 ZINC000375847446 1034710766 /nfs/dbraw/zinc/71/07/66/1034710766.db2.gz BBDHPSKIRHUZDI-UHFFFAOYSA-N 1 2 331.460 3.872 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000022966278 1034722095 /nfs/dbraw/zinc/72/20/95/1034722095.db2.gz XRFOWDSIEPVYQU-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000022966278 1034722109 /nfs/dbraw/zinc/72/21/09/1034722109.db2.gz XRFOWDSIEPVYQU-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2cccc(OC(C)(C)C)n2)c[nH+]1 ZINC000456833007 1034775978 /nfs/dbraw/zinc/77/59/78/1034775978.db2.gz FYCQFTJYBFRQKR-UHFFFAOYSA-N 1 2 341.455 3.520 20 0 EHADLO CCc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1C(CC)CC ZINC000456838142 1034782285 /nfs/dbraw/zinc/78/22/85/1034782285.db2.gz LLENJIFNUULCTF-UHFFFAOYSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)c1cccs1 ZINC000534664819 1034789281 /nfs/dbraw/zinc/78/92/81/1034789281.db2.gz AENFWWQNYQDROA-CQSZACIVSA-N 1 2 328.481 3.719 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)c1cccs1 ZINC000534664819 1034789290 /nfs/dbraw/zinc/78/92/90/1034789290.db2.gz AENFWWQNYQDROA-CQSZACIVSA-N 1 2 328.481 3.719 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccn(C)c2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000612345496 1034810045 /nfs/dbraw/zinc/81/00/45/1034810045.db2.gz GHISPMHNGPKLDZ-LPHOPBHVSA-N 1 2 348.450 3.612 20 0 EHADLO C[C@H](C[N@H+](C)Cc1cnns1)Oc1ccc(Cl)c(Cl)c1 ZINC000450823920 1034828419 /nfs/dbraw/zinc/82/84/19/1034828419.db2.gz CGVGSHVMDRJHLX-SECBINFHSA-N 1 2 332.256 3.744 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1cnns1)Oc1ccc(Cl)c(Cl)c1 ZINC000450823920 1034828429 /nfs/dbraw/zinc/82/84/29/1034828429.db2.gz CGVGSHVMDRJHLX-SECBINFHSA-N 1 2 332.256 3.744 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3ccn(CC(F)(F)F)n3)CC2)s1 ZINC000450866925 1034883187 /nfs/dbraw/zinc/88/31/87/1034883187.db2.gz YXUWTEVNSUXEID-UHFFFAOYSA-N 1 2 344.406 3.590 20 0 EHADLO C[C@@H](Oc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000584478841 1034900618 /nfs/dbraw/zinc/90/06/18/1034900618.db2.gz CZQHBTXZIYAYBM-WDEREUQCSA-N 1 2 341.333 3.557 20 0 EHADLO C[C@@H](Oc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000584478841 1034900624 /nfs/dbraw/zinc/90/06/24/1034900624.db2.gz CZQHBTXZIYAYBM-WDEREUQCSA-N 1 2 341.333 3.557 20 0 EHADLO CC(C)C[N@H+](Cc1ncnn1C(C)C)[C@@H]1CCCc2cccnc21 ZINC000375916470 1034905865 /nfs/dbraw/zinc/90/58/65/1034905865.db2.gz MMEKBDJPZGYJNC-QGZVFWFLSA-N 1 2 327.476 3.790 20 0 EHADLO CC(C)C[N@@H+](Cc1ncnn1C(C)C)[C@@H]1CCCc2cccnc21 ZINC000375916470 1034905872 /nfs/dbraw/zinc/90/58/72/1034905872.db2.gz MMEKBDJPZGYJNC-QGZVFWFLSA-N 1 2 327.476 3.790 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000152889652 1034972052 /nfs/dbraw/zinc/97/20/52/1034972052.db2.gz MYSCYOXIBYEJPN-HNAYVOBHSA-N 1 2 340.471 3.601 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1Cl ZINC000450990178 1035001335 /nfs/dbraw/zinc/00/13/35/1035001335.db2.gz IADQUMRQIFTZOB-SECBINFHSA-N 1 2 340.757 3.651 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977865 1035009202 /nfs/dbraw/zinc/00/92/02/1035009202.db2.gz KDWCYJVTMLDISJ-KXBFYZLASA-N 1 2 340.471 3.670 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977865 1035009211 /nfs/dbraw/zinc/00/92/11/1035009211.db2.gz KDWCYJVTMLDISJ-KXBFYZLASA-N 1 2 340.471 3.670 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000450984191 1035013432 /nfs/dbraw/zinc/01/34/32/1035013432.db2.gz UYMGWDOZTVHDJK-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000450984191 1035013443 /nfs/dbraw/zinc/01/34/43/1035013443.db2.gz UYMGWDOZTVHDJK-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(Br)ccc2F)o1 ZINC000892501654 1035021278 /nfs/dbraw/zinc/02/12/78/1035021278.db2.gz JWEVIWAOUAVKIV-UHFFFAOYSA-N 1 2 328.181 3.870 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)c1 ZINC000636070804 1035147154 /nfs/dbraw/zinc/14/71/54/1035147154.db2.gz HLMYKFQDAAVJMN-QZTJIDSGSA-N 1 2 325.456 3.815 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)c1 ZINC000636070804 1035147160 /nfs/dbraw/zinc/14/71/60/1035147160.db2.gz HLMYKFQDAAVJMN-QZTJIDSGSA-N 1 2 325.456 3.815 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3c(C)cccc3Cl)[nH+]c12 ZINC000133226664 1035223416 /nfs/dbraw/zinc/22/34/16/1035223416.db2.gz XVUOLANPTSVLKA-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO CCCC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(OC)cc1 ZINC000570401688 1035239309 /nfs/dbraw/zinc/23/93/09/1035239309.db2.gz XIVYDXDNTUTJFU-YJBOKZPZSA-N 1 2 329.444 3.891 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000584503259 1035269697 /nfs/dbraw/zinc/26/96/97/1035269697.db2.gz AZYKZBXUYNBIDF-HXUWFJFHSA-N 1 2 349.478 3.973 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161697663 1035402589 /nfs/dbraw/zinc/40/25/89/1035402589.db2.gz ZKTNVDZPIIXFJZ-IAGOWNOFSA-N 1 2 331.504 3.947 20 0 EHADLO Fc1ccccc1Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1F ZINC000685850316 1035417605 /nfs/dbraw/zinc/41/76/05/1035417605.db2.gz KFQMJGXWKFNKMU-UHFFFAOYSA-N 1 2 341.361 3.969 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000414067814 1035433488 /nfs/dbraw/zinc/43/34/88/1035433488.db2.gz JIWVPCAJHMAURV-LBPRGKRZSA-N 1 2 343.452 3.879 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291778 1035437711 /nfs/dbraw/zinc/43/77/11/1035437711.db2.gz RNEFDHMLVGRNLB-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291778 1035437713 /nfs/dbraw/zinc/43/77/13/1035437713.db2.gz RNEFDHMLVGRNLB-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO CC1(C)CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000456886886 1035501388 /nfs/dbraw/zinc/50/13/88/1035501388.db2.gz SFAZSZQSHZQWAE-KRWDZBQOSA-N 1 2 325.456 3.878 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]1[C@H]1CCCO1 ZINC000571573482 1035540026 /nfs/dbraw/zinc/54/00/26/1035540026.db2.gz UNLJVEAHMJCGPV-IEBWSBKVSA-N 1 2 339.439 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]1[C@H]1CCCO1 ZINC000571573482 1035540038 /nfs/dbraw/zinc/54/00/38/1035540038.db2.gz UNLJVEAHMJCGPV-IEBWSBKVSA-N 1 2 339.439 3.658 20 0 EHADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)sc1-c1ccccc1 ZINC000571579448 1035542986 /nfs/dbraw/zinc/54/29/86/1035542986.db2.gz NTTKAXYDOXQWAF-AWEZNQCLSA-N 1 2 339.464 3.986 20 0 EHADLO CCn1nccc1C[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926739563 1035570288 /nfs/dbraw/zinc/57/02/88/1035570288.db2.gz VDDBMEQPRRPVPQ-SECBINFHSA-N 1 2 332.757 3.821 20 0 EHADLO COc1cc(C)c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000186068638 1035573443 /nfs/dbraw/zinc/57/34/43/1035573443.db2.gz RFBIPKSVRMGLCS-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000431802121 1035591062 /nfs/dbraw/zinc/59/10/62/1035591062.db2.gz REHGCURKKOATCR-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@H](C)C1 ZINC000456996061 1035610743 /nfs/dbraw/zinc/61/07/43/1035610743.db2.gz ZOMQEKFPRSOAKH-XYJFISCASA-N 1 2 325.456 3.876 20 0 EHADLO Nc1ccnc(C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)n1 ZINC000428722713 1035635834 /nfs/dbraw/zinc/63/58/34/1035635834.db2.gz QGOSLZBWLNDVBG-UHFFFAOYSA-N 1 2 337.254 3.576 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000534824681 1035639958 /nfs/dbraw/zinc/63/99/58/1035639958.db2.gz ZXYNCXLMSCWWJP-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)Cc1cscn1 ZINC000173873067 1035689819 /nfs/dbraw/zinc/68/98/19/1035689819.db2.gz UDYUVDLDNJUNMW-UHFFFAOYSA-N 1 2 332.347 3.553 20 0 EHADLO C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)Cc1cscn1 ZINC000173873067 1035689829 /nfs/dbraw/zinc/68/98/29/1035689829.db2.gz UDYUVDLDNJUNMW-UHFFFAOYSA-N 1 2 332.347 3.553 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000666163802 1035694111 /nfs/dbraw/zinc/69/41/11/1035694111.db2.gz SJHAZUJEWVPCOH-CRAIPNDOSA-N 1 2 344.434 3.766 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492415625 1035747596 /nfs/dbraw/zinc/74/75/96/1035747596.db2.gz KZLQLJNDHMMUHQ-ONEGZZNKSA-N 1 2 329.469 3.677 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2csc(Br)c2)c(C)[nH+]1 ZINC000187147284 1035771012 /nfs/dbraw/zinc/77/10/12/1035771012.db2.gz FKLVCIDQNLJMOR-SFHVURJKSA-N 1 2 344.299 3.971 20 0 EHADLO c1[nH+]cn2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc12 ZINC000414145950 1035765258 /nfs/dbraw/zinc/76/52/58/1035765258.db2.gz BMRKDDTZNQQLJV-MZADTFQBSA-N 1 2 346.478 3.620 20 0 EHADLO c1[nH+]cn2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145950 1035765274 /nfs/dbraw/zinc/76/52/74/1035765274.db2.gz BMRKDDTZNQQLJV-MZADTFQBSA-N 1 2 346.478 3.620 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2coc(-c3ccccc3)n2)c(C)[nH+]1 ZINC000187139788 1035768156 /nfs/dbraw/zinc/76/81/56/1035768156.db2.gz XNMVDRLEVMXCDX-QHCPKHFHSA-N 1 2 326.421 3.802 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1nccn1C(F)F ZINC000187168146 1035780856 /nfs/dbraw/zinc/78/08/56/1035780856.db2.gz LGOUCKRXWXQISJ-UHFFFAOYSA-N 1 2 344.365 3.639 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2nc(C)cs2)o1 ZINC000187186267 1035782805 /nfs/dbraw/zinc/78/28/05/1035782805.db2.gz FIOXEDONHOASTM-UHFFFAOYSA-N 1 2 342.420 3.788 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(-c3ccccc3)o2)c(C)[nH+]1 ZINC000187213972 1035785710 /nfs/dbraw/zinc/78/57/10/1035785710.db2.gz RQLGDGGJUWRSKR-HSZRJFAPSA-N 1 2 326.421 3.802 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)c2ccc(F)cc2)cn1 ZINC000187518800 1035834700 /nfs/dbraw/zinc/83/47/00/1035834700.db2.gz YMLGEZIIUHOODY-GOSISDBHSA-N 1 2 349.331 3.856 20 0 EHADLO COc1cc([C@H](C)Nc2[nH+]c3ccccc3n2C)ccc1OC(C)C ZINC000534980089 1035860463 /nfs/dbraw/zinc/86/04/63/1035860463.db2.gz IQAZOJQOSTYTQB-AWEZNQCLSA-N 1 2 339.439 3.964 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)nnn1-c1ccc(C)cc1 ZINC000414169382 1035864679 /nfs/dbraw/zinc/86/46/79/1035864679.db2.gz RRONJYIPHOEMBJ-INIZCTEOSA-N 1 2 335.455 3.747 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588279432 1035876578 /nfs/dbraw/zinc/87/65/78/1035876578.db2.gz HGZJOAJHYRJOBX-UHFFFAOYSA-N 1 2 340.452 3.714 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C3CC3)C3CCC3)cn2c1 ZINC000457221853 1035880343 /nfs/dbraw/zinc/88/03/43/1035880343.db2.gz NGJHTQFLIIKERP-IBGZPJMESA-N 1 2 343.496 3.571 20 0 EHADLO O=C(/C=C\c1cccc(F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492492122 1035894439 /nfs/dbraw/zinc/89/44/39/1035894439.db2.gz LGWNFPCBIYQFMK-SREVYHEPSA-N 1 2 341.430 3.754 20 0 EHADLO C[C@H]1CCCC[C@]1(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000457289066 1035919906 /nfs/dbraw/zinc/91/99/06/1035919906.db2.gz NWZHRXRVRPNBQA-JXFKEZNVSA-N 1 2 325.456 3.559 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)c1c[nH]c3ncccc13)C2 ZINC000535051660 1035961230 /nfs/dbraw/zinc/96/12/30/1035961230.db2.gz YJXUJJPSFWZVBD-CQSZACIVSA-N 1 2 349.434 3.591 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)c1c[nH]c3ncccc13)C2 ZINC000535051660 1035961234 /nfs/dbraw/zinc/96/12/34/1035961234.db2.gz YJXUJJPSFWZVBD-CQSZACIVSA-N 1 2 349.434 3.591 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000463910247 1035964534 /nfs/dbraw/zinc/96/45/34/1035964534.db2.gz IXPKAVBDVBJKHI-DZGCQCFKSA-N 1 2 333.501 3.817 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000463910251 1035965112 /nfs/dbraw/zinc/96/51/12/1035965112.db2.gz IXPKAVBDVBJKHI-UKRRQHHQSA-N 1 2 333.501 3.817 20 0 EHADLO CCc1cc(N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nc(C)[nH+]1 ZINC000541090946 1035974615 /nfs/dbraw/zinc/97/46/15/1035974615.db2.gz RDNVQHXYONFQKG-HNAYVOBHSA-N 1 2 325.456 3.931 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492559207 1035980835 /nfs/dbraw/zinc/98/08/35/1035980835.db2.gz PEFGCAFGJRQBBT-IBGZPJMESA-N 1 2 333.378 3.807 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492559207 1035980845 /nfs/dbraw/zinc/98/08/45/1035980845.db2.gz PEFGCAFGJRQBBT-IBGZPJMESA-N 1 2 333.378 3.807 20 0 EHADLO Cc1noc(C2CC2)c1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492561676 1035987450 /nfs/dbraw/zinc/98/74/50/1035987450.db2.gz FOTVQUPWYXQUTO-WTKPLQERSA-N 1 2 334.379 3.698 20 0 EHADLO CCn1c(C[N@H+](CCOC)Cc2cccs2)nc2ccccc21 ZINC000535068649 1035988080 /nfs/dbraw/zinc/98/80/80/1035988080.db2.gz VFKJFEBKBARLMG-UHFFFAOYSA-N 1 2 329.469 3.766 20 0 EHADLO CCn1c(C[N@@H+](CCOC)Cc2cccs2)nc2ccccc21 ZINC000535068649 1035988090 /nfs/dbraw/zinc/98/80/90/1035988090.db2.gz VFKJFEBKBARLMG-UHFFFAOYSA-N 1 2 329.469 3.766 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572162798 1035994219 /nfs/dbraw/zinc/99/42/19/1035994219.db2.gz JBFXRJRZDXGNJQ-BFYDXBDKSA-N 1 2 343.858 3.551 20 0 EHADLO CCC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001127226091 1036018466 /nfs/dbraw/zinc/01/84/66/1036018466.db2.gz YHKXTIKMHWEZSG-MRXNPFEDSA-N 1 2 337.467 3.778 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541186838 1036067695 /nfs/dbraw/zinc/06/76/95/1036067695.db2.gz QGEWWXRBBWBFRY-HKUYNNGSSA-N 1 2 346.519 3.911 20 0 EHADLO CC(C)c1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000535146617 1036081086 /nfs/dbraw/zinc/08/10/86/1036081086.db2.gz DRJVBHSZOPQLBA-HNNXBMFYSA-N 1 2 348.450 3.721 20 0 EHADLO CC(C)(C)c1ccc(CCCCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000174749543 1036088540 /nfs/dbraw/zinc/08/85/40/1036088540.db2.gz BPWGIAKKMQJIFF-UHFFFAOYSA-N 1 2 327.472 3.779 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]C3(c4ccccc4)CC3)nn2)cc1Cl ZINC000541230896 1036118908 /nfs/dbraw/zinc/11/89/08/1036118908.db2.gz DPVHPLTVPDJRRG-UHFFFAOYSA-N 1 2 342.805 3.839 20 0 EHADLO Clc1cccc([C@H](CNCc2nccn2C2CC2)[NH+]2CCCC2)c1 ZINC000892567725 1036160818 /nfs/dbraw/zinc/16/08/18/1036160818.db2.gz UYZBZVWJCXNUBS-SFHVURJKSA-N 1 2 344.890 3.798 20 0 EHADLO COC(C)(C)C[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000535208395 1036166456 /nfs/dbraw/zinc/16/64/56/1036166456.db2.gz XGNMDAUIUKYRKK-UHFFFAOYSA-N 1 2 347.484 3.685 20 0 EHADLO COC(C)(C)C[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000535208395 1036166462 /nfs/dbraw/zinc/16/64/62/1036166462.db2.gz XGNMDAUIUKYRKK-UHFFFAOYSA-N 1 2 347.484 3.685 20 0 EHADLO CCc1nc2c(s1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414230218 1036175997 /nfs/dbraw/zinc/17/59/97/1036175997.db2.gz AQYKSPYCXYJIPT-VIFPVBQESA-N 1 2 342.390 3.682 20 0 EHADLO COc1cc(C)[nH+]c(CSc2ccc(Br)cn2)c1 ZINC000535254015 1036219600 /nfs/dbraw/zinc/21/96/00/1036219600.db2.gz AFJNNIPVRTVIJE-UHFFFAOYSA-N 1 2 325.231 3.848 20 0 EHADLO COC[C@H]1C[N@H+](Cc2sc3c(cccc3Cl)c2C)CCO1 ZINC000508648214 1036226868 /nfs/dbraw/zinc/22/68/68/1036226868.db2.gz BVKGMKMFGZNAHM-GFCCVEGCSA-N 1 2 325.861 3.710 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2sc3c(cccc3Cl)c2C)CCO1 ZINC000508648214 1036226887 /nfs/dbraw/zinc/22/68/87/1036226887.db2.gz BVKGMKMFGZNAHM-GFCCVEGCSA-N 1 2 325.861 3.710 20 0 EHADLO CC(C)c1nsc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000929782306 1036244673 /nfs/dbraw/zinc/24/46/73/1036244673.db2.gz UPLRHZDOAAXASL-INIZCTEOSA-N 1 2 330.501 3.762 20 0 EHADLO CC(C)c1nsc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000929782306 1036244681 /nfs/dbraw/zinc/24/46/81/1036244681.db2.gz UPLRHZDOAAXASL-INIZCTEOSA-N 1 2 330.501 3.762 20 0 EHADLO c1csc(N2CCC[N@@H+](Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000063995087 1036251658 /nfs/dbraw/zinc/25/16/58/1036251658.db2.gz DYCRIEFVRYDKHY-UHFFFAOYSA-N 1 2 348.541 3.970 20 0 EHADLO c1csc(N2CCC[N@H+](Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000063995087 1036251671 /nfs/dbraw/zinc/25/16/71/1036251671.db2.gz DYCRIEFVRYDKHY-UHFFFAOYSA-N 1 2 348.541 3.970 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)o1 ZINC000589196577 1036302122 /nfs/dbraw/zinc/30/21/22/1036302122.db2.gz PKTUVMSUWPXYCN-UHFFFAOYSA-N 1 2 347.411 3.542 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccsc1)c1nc2ccccc2s1 ZINC000589282352 1036339375 /nfs/dbraw/zinc/33/93/75/1036339375.db2.gz LYKILVTUFCDJBC-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccsc1)c1nc2ccccc2s1 ZINC000589282352 1036339386 /nfs/dbraw/zinc/33/93/86/1036339386.db2.gz LYKILVTUFCDJBC-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc(F)c(F)c4)no3)[nH]c21 ZINC000175443353 1036369045 /nfs/dbraw/zinc/36/90/45/1036369045.db2.gz JATZQPGTGCTVQB-UHFFFAOYSA-N 1 2 340.333 3.985 20 0 EHADLO CCN(C)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000191421246 1036378306 /nfs/dbraw/zinc/37/83/06/1036378306.db2.gz BMKKZAUMFUWESW-UHFFFAOYSA-N 1 2 341.846 3.989 20 0 EHADLO Cc1ccc(Br)c(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414273675 1036382920 /nfs/dbraw/zinc/38/29/20/1036382920.db2.gz ZJLAYRWZQLFEBS-LBPRGKRZSA-N 1 2 334.261 3.751 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131426 1036401137 /nfs/dbraw/zinc/40/11/37/1036401137.db2.gz POIVTBXVEDOABG-INIZCTEOSA-N 1 2 349.887 3.633 20 0 EHADLO CCCC(=O)Nc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1 ZINC000892594200 1036426067 /nfs/dbraw/zinc/42/60/67/1036426067.db2.gz IIAVWCYVSPGMHS-UHFFFAOYSA-N 1 2 332.473 3.690 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccsc1)[C@H]1CCCc2ccccc21 ZINC000102675767 1036426426 /nfs/dbraw/zinc/42/64/26/1036426426.db2.gz PRUWENFXXHTHIX-SFHVURJKSA-N 1 2 328.481 3.716 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccsc1)[C@H]1CCCc2ccccc21 ZINC000102675767 1036426443 /nfs/dbraw/zinc/42/64/43/1036426443.db2.gz PRUWENFXXHTHIX-SFHVURJKSA-N 1 2 328.481 3.716 20 0 EHADLO Cc1sc(C(=O)NCCc2c[nH+]cn2C)cc1-c1ccc(F)cc1 ZINC000541552445 1036444173 /nfs/dbraw/zinc/44/41/73/1036444173.db2.gz VHMHPGUUQYGYHW-UHFFFAOYSA-N 1 2 343.427 3.569 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)NCCc2c[nH+]cn2C)c1C ZINC000541552403 1036444653 /nfs/dbraw/zinc/44/46/53/1036444653.db2.gz SYNZFCGXIVSUKG-UHFFFAOYSA-N 1 2 348.450 3.753 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2C)s1 ZINC000192054197 1036464383 /nfs/dbraw/zinc/46/43/83/1036464383.db2.gz RPYHNCODKRJCQT-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)s1 ZINC000192054197 1036464395 /nfs/dbraw/zinc/46/43/95/1036464395.db2.gz RPYHNCODKRJCQT-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC000457746738 1036473948 /nfs/dbraw/zinc/47/39/48/1036473948.db2.gz LGCNIAHXAKTSSC-NWDGAFQWSA-N 1 2 334.407 3.542 20 0 EHADLO CC(=O)Nc1cccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)c1 ZINC000192193022 1036488090 /nfs/dbraw/zinc/48/80/90/1036488090.db2.gz YAAJOWCJXVQHMH-UHFFFAOYSA-N 1 2 349.390 3.519 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(C(F)(F)F)CCC1 ZINC000669333002 1036507443 /nfs/dbraw/zinc/50/74/43/1036507443.db2.gz JIHCMNAGSATAMF-CYBMUJFWSA-N 1 2 337.345 3.533 20 0 EHADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000464502775 1036515196 /nfs/dbraw/zinc/51/51/96/1036515196.db2.gz RYHVBUYOMZJZNF-AUECHBEKSA-N 1 2 345.516 3.948 20 0 EHADLO CC(C)(C)n1nnnc1C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000464502775 1036515201 /nfs/dbraw/zinc/51/52/01/1036515201.db2.gz RYHVBUYOMZJZNF-AUECHBEKSA-N 1 2 345.516 3.948 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2ccccc2)CCCC1 ZINC000192667634 1036520624 /nfs/dbraw/zinc/52/06/24/1036520624.db2.gz APSSVCDQTDUAAM-UHFFFAOYSA-N 1 2 349.478 3.679 20 0 EHADLO Cc1sc2nc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)nc(N)c2c1C ZINC000541646068 1036526028 /nfs/dbraw/zinc/52/60/28/1036526028.db2.gz VIFSIOPFZFFVQR-NSHDSACASA-N 1 2 344.488 3.519 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnc2ccccc2n1)c1cccc(Cl)c1 ZINC001126665639 1036541707 /nfs/dbraw/zinc/54/17/07/1036541707.db2.gz CHZXBDFUTCMJPN-KRWDZBQOSA-N 1 2 340.814 3.525 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3(Cc4ccccc4)CCCC3)[nH+]c12 ZINC000541658911 1036547478 /nfs/dbraw/zinc/54/74/78/1036547478.db2.gz MXMVECJGUXIZRQ-UHFFFAOYSA-N 1 2 347.462 3.857 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CCS1 ZINC000464571820 1036559606 /nfs/dbraw/zinc/55/96/06/1036559606.db2.gz PVTMYCNDGKBICJ-LBPRGKRZSA-N 1 2 342.455 3.899 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CCS1 ZINC000464571820 1036559624 /nfs/dbraw/zinc/55/96/24/1036559624.db2.gz PVTMYCNDGKBICJ-LBPRGKRZSA-N 1 2 342.455 3.899 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1csnn1 ZINC000414304642 1036570458 /nfs/dbraw/zinc/57/04/58/1036570458.db2.gz PBKBXTZQWLLGDF-HQJQHLMTSA-N 1 2 342.237 3.778 20 0 EHADLO CC[C@@H]1CN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C[C@H]1O ZINC000535510297 1036573603 /nfs/dbraw/zinc/57/36/03/1036573603.db2.gz JXWKYNGVSJNUPC-BXUZGUMPSA-N 1 2 340.345 3.649 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1C ZINC000669337585 1036573959 /nfs/dbraw/zinc/57/39/59/1036573959.db2.gz NHRALXAUFOWUJB-QRVBRYPASA-N 1 2 337.467 3.894 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000535567565 1036657526 /nfs/dbraw/zinc/65/75/26/1036657526.db2.gz SEQUGHGBUDUZNK-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000535567565 1036657541 /nfs/dbraw/zinc/65/75/41/1036657541.db2.gz SEQUGHGBUDUZNK-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000666256739 1036662649 /nfs/dbraw/zinc/66/26/49/1036662649.db2.gz UEJLISDOSJBRFM-CHWSQXEVSA-N 1 2 338.411 3.601 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nccs2)c(Br)c1 ZINC000302648511 1036666633 /nfs/dbraw/zinc/66/66/33/1036666633.db2.gz YBYCDIHXJKDIRZ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000589957727 1036678676 /nfs/dbraw/zinc/67/86/76/1036678676.db2.gz QQQSXHQHKRAFSR-HNNXBMFYSA-N 1 2 331.847 3.710 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000589954671 1036680337 /nfs/dbraw/zinc/68/03/37/1036680337.db2.gz AYDWZLLRUOUSPQ-MRXNPFEDSA-N 1 2 348.450 3.523 20 0 EHADLO c1cc([C@H]2C[N@H+](CCc3nsc4ccccc43)CCO2)cs1 ZINC000660000753 1036709089 /nfs/dbraw/zinc/70/90/89/1036709089.db2.gz GBMNLCQDSOILHO-MRXNPFEDSA-N 1 2 330.478 3.974 20 0 EHADLO c1cc([C@H]2C[N@@H+](CCc3nsc4ccccc43)CCO2)cs1 ZINC000660000753 1036709105 /nfs/dbraw/zinc/70/91/05/1036709105.db2.gz GBMNLCQDSOILHO-MRXNPFEDSA-N 1 2 330.478 3.974 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@H]3CCC(C)C)[nH+]c12 ZINC000590028549 1036714463 /nfs/dbraw/zinc/71/44/63/1036714463.db2.gz FJNMMUBMOJLDFQ-FUHWJXTLSA-N 1 2 327.472 3.906 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)s1 ZINC000541881530 1036756499 /nfs/dbraw/zinc/75/64/99/1036756499.db2.gz BYRIRORPXDRTBJ-SSDOTTSWSA-N 1 2 330.226 3.599 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769151 1036762518 /nfs/dbraw/zinc/76/25/18/1036762518.db2.gz HSXKSFFENXURER-XHDPSFHLSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769151 1036762541 /nfs/dbraw/zinc/76/25/41/1036762541.db2.gz HSXKSFFENXURER-XHDPSFHLSA-N 1 2 344.883 3.880 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789204 1036791859 /nfs/dbraw/zinc/79/18/59/1036791859.db2.gz NXKSKDHZOBQUIR-CZUORRHYSA-N 1 2 340.558 3.779 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789204 1036791875 /nfs/dbraw/zinc/79/18/75/1036791875.db2.gz NXKSKDHZOBQUIR-CZUORRHYSA-N 1 2 340.558 3.779 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000103068524 1036831259 /nfs/dbraw/zinc/83/12/59/1036831259.db2.gz XYKNVETVJSADCW-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(CC)CCC1 ZINC000177509825 1036859536 /nfs/dbraw/zinc/85/95/36/1036859536.db2.gz FEVWFXHEHHZJBI-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1Oc1ccncc1 ZINC000669830526 1036860886 /nfs/dbraw/zinc/86/08/86/1036860886.db2.gz UYXFIULYYVJOGB-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000103243232 1036862497 /nfs/dbraw/zinc/86/24/97/1036862497.db2.gz BAYUOVRDEOEUFQ-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Cc1cccc(/C=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000491262389 1036871271 /nfs/dbraw/zinc/87/12/71/1036871271.db2.gz NSOZVFARQQEEOF-KTKRTIGZSA-N 1 2 347.418 3.922 20 0 EHADLO Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000103363995 1036876220 /nfs/dbraw/zinc/87/62/20/1036876220.db2.gz JDJBIJHVNVWQFP-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO Clc1cccc2c1C[C@@H]([NH2+][C@@H](c1nnc[nH]1)c1ccccc1)CC2 ZINC000666355618 1036911273 /nfs/dbraw/zinc/91/12/73/1036911273.db2.gz SYQJRWRIJBGLSW-MAUKXSAKSA-N 1 2 338.842 3.695 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N(CC1CCCCC1)C1CC1 ZINC000177758260 1036929223 /nfs/dbraw/zinc/92/92/23/1036929223.db2.gz DIYHAXLNOYECHQ-UHFFFAOYSA-N 1 2 326.444 3.589 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@H]1c1ccccc1 ZINC000177776796 1036931694 /nfs/dbraw/zinc/93/16/94/1036931694.db2.gz CPIZGYVUYVYOPZ-VQIMIIECSA-N 1 2 348.450 3.670 20 0 EHADLO CC(C)(C)CCCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000103852369 1036965334 /nfs/dbraw/zinc/96/53/34/1036965334.db2.gz MDFSWXSXKIGQJK-UHFFFAOYSA-N 1 2 332.492 3.697 20 0 EHADLO CNc1ccc(Nc2scc(C(F)(F)F)c2C(=O)OC)c[nH+]1 ZINC001203449510 1036997839 /nfs/dbraw/zinc/99/78/39/1036997839.db2.gz HYDZQRNUIJQBRB-UHFFFAOYSA-N 1 2 331.319 3.734 20 0 EHADLO CCCCC[N@H+](Cn1nc(C(=O)OCC)sc1=S)C(C)C ZINC000782805526 1036998629 /nfs/dbraw/zinc/99/86/29/1036998629.db2.gz CQELEYARBHWRPS-UHFFFAOYSA-N 1 2 331.507 3.709 20 0 EHADLO CCCCC[N@@H+](Cn1nc(C(=O)OCC)sc1=S)C(C)C ZINC000782805526 1036998642 /nfs/dbraw/zinc/99/86/42/1036998642.db2.gz CQELEYARBHWRPS-UHFFFAOYSA-N 1 2 331.507 3.709 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccc(C)s2)c1C ZINC000057618059 1037013564 /nfs/dbraw/zinc/01/35/64/1037013564.db2.gz PEELLJCFPQMCES-AWEZNQCLSA-N 1 2 347.484 3.980 20 0 EHADLO COc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000590731344 1037031112 /nfs/dbraw/zinc/03/11/12/1037031112.db2.gz BOECILQQEYDIFI-HNNXBMFYSA-N 1 2 335.407 3.522 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729492 1037032605 /nfs/dbraw/zinc/03/26/05/1037032605.db2.gz DDZDIJIYZRAATG-CQSZACIVSA-N 1 2 349.887 3.882 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733555 1037035938 /nfs/dbraw/zinc/03/59/38/1037035938.db2.gz QLXXILWINGANDA-GFCCVEGCSA-N 1 2 338.238 3.596 20 0 EHADLO CCOC(=O)CC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000590836066 1037071995 /nfs/dbraw/zinc/07/19/95/1037071995.db2.gz FJJZTPZELXFABJ-MRXNPFEDSA-N 1 2 347.459 3.594 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@@H]1CCCC[C@H]1C ZINC000761507999 1037080244 /nfs/dbraw/zinc/08/02/44/1037080244.db2.gz PVEGPUBSHSVEKV-HZPDHXFCSA-N 1 2 336.549 3.611 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000170883974 1037086598 /nfs/dbraw/zinc/08/65/98/1037086598.db2.gz NYPZNQMLQIREPN-SFHVURJKSA-N 1 2 326.444 3.771 20 0 EHADLO Oc1c(Br)cc(C[NH2+][C@@H]2C=CCC2)cc1Br ZINC000698299241 1037103630 /nfs/dbraw/zinc/10/36/30/1037103630.db2.gz KDFIROYREGCDDE-SECBINFHSA-N 1 2 347.050 3.725 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000666487845 1037142105 /nfs/dbraw/zinc/14/21/05/1037142105.db2.gz OVWLJVVHDBOEEA-CQSZACIVSA-N 1 2 341.904 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000666487845 1037142110 /nfs/dbraw/zinc/14/21/10/1037142110.db2.gz OVWLJVVHDBOEEA-CQSZACIVSA-N 1 2 341.904 3.756 20 0 EHADLO Cc1nc(N2CCC(F)(c3cccnc3)CC2)c2c([nH+]1)CCCC2 ZINC000376480460 1037146042 /nfs/dbraw/zinc/14/60/42/1037146042.db2.gz PJPDOCIUNCVQFD-UHFFFAOYSA-N 1 2 326.419 3.524 20 0 EHADLO CCC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000465129793 1037162021 /nfs/dbraw/zinc/16/20/21/1037162021.db2.gz OKWAXYVCJVSLNG-CQSZACIVSA-N 1 2 338.442 3.872 20 0 EHADLO CCC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000465129793 1037162035 /nfs/dbraw/zinc/16/20/35/1037162035.db2.gz OKWAXYVCJVSLNG-CQSZACIVSA-N 1 2 338.442 3.872 20 0 EHADLO Cc1ccc(C2=CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cn1 ZINC000539774567 1037176655 /nfs/dbraw/zinc/17/66/55/1037176655.db2.gz UWLGKVTVHMLMPD-UHFFFAOYSA-N 1 2 344.418 3.505 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000539824909 1037229172 /nfs/dbraw/zinc/22/91/72/1037229172.db2.gz KIBZJWDKUCTMJR-IBGZPJMESA-N 1 2 337.423 3.689 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000539824909 1037229190 /nfs/dbraw/zinc/22/91/90/1037229190.db2.gz KIBZJWDKUCTMJR-IBGZPJMESA-N 1 2 337.423 3.689 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(Oc2ccccc2)cc1 ZINC000462658674 1037229791 /nfs/dbraw/zinc/22/97/91/1037229791.db2.gz PILJUCRTOFVNSW-DYVFJYSZSA-N 1 2 346.377 3.653 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(C)C ZINC000591107734 1037238072 /nfs/dbraw/zinc/23/80/72/1037238072.db2.gz LMWBWPZUOMGWII-SFHVURJKSA-N 1 2 346.515 3.720 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414387455 1037240522 /nfs/dbraw/zinc/24/05/22/1037240522.db2.gz JGJXUTMSLMRVIN-KRWDZBQOSA-N 1 2 337.510 3.981 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414387455 1037240535 /nfs/dbraw/zinc/24/05/35/1037240535.db2.gz JGJXUTMSLMRVIN-KRWDZBQOSA-N 1 2 337.510 3.981 20 0 EHADLO O=C(Cc1scnc1-c1ccccc1)Nc1c[nH+]c2n1CCCC2 ZINC000650946381 1037261478 /nfs/dbraw/zinc/26/14/78/1037261478.db2.gz VNBUYGFVETUFTL-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1C ZINC000591249197 1037269645 /nfs/dbraw/zinc/26/96/45/1037269645.db2.gz FEPVBQPWNWILMK-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(-c3ccc(F)cc3)o2)c(C)[nH+]1 ZINC000187232521 1037280081 /nfs/dbraw/zinc/28/00/81/1037280081.db2.gz PMCFJKNCBCSODW-DEOSSOPVSA-N 1 2 344.411 3.941 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CCN1CC(F)F ZINC000539849972 1037280739 /nfs/dbraw/zinc/28/07/39/1037280739.db2.gz IVFJUIUNPLFOKS-LBPRGKRZSA-N 1 2 331.476 3.602 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cnc(C(C)(C)C)s2)CCN1CC(F)F ZINC000539849972 1037280751 /nfs/dbraw/zinc/28/07/51/1037280751.db2.gz IVFJUIUNPLFOKS-LBPRGKRZSA-N 1 2 331.476 3.602 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(S(C)(=O)=O)s2)C[C@@H]1c1ccccc1 ZINC000414393468 1037301265 /nfs/dbraw/zinc/30/12/65/1037301265.db2.gz DMBLUBALQSYNGC-MRXNPFEDSA-N 1 2 349.521 3.777 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C[C@@H]1c1ccccc1 ZINC000414393468 1037301274 /nfs/dbraw/zinc/30/12/74/1037301274.db2.gz DMBLUBALQSYNGC-MRXNPFEDSA-N 1 2 349.521 3.777 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000414394446 1037310945 /nfs/dbraw/zinc/31/09/45/1037310945.db2.gz IMNBNFMKBSQOTP-QFBILLFUSA-N 1 2 325.456 3.618 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000414394446 1037310962 /nfs/dbraw/zinc/31/09/62/1037310962.db2.gz IMNBNFMKBSQOTP-QFBILLFUSA-N 1 2 325.456 3.618 20 0 EHADLO CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccccn1 ZINC000152584011 1037323767 /nfs/dbraw/zinc/32/37/67/1037323767.db2.gz KVDFYEOMLUAZEW-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1ccccn1 ZINC000152584011 1037323786 /nfs/dbraw/zinc/32/37/86/1037323786.db2.gz KVDFYEOMLUAZEW-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2noc3c2CCCC3)c1C(=O)OC ZINC000591372321 1037372427 /nfs/dbraw/zinc/37/24/27/1037372427.db2.gz IYSLNENZIOGXBX-UHFFFAOYSA-N 1 2 344.411 3.575 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000573262253 1037434018 /nfs/dbraw/zinc/43/40/18/1037434018.db2.gz VRQSVDBVYKMPAK-KRWDZBQOSA-N 1 2 332.492 3.793 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000591506029 1037439560 /nfs/dbraw/zinc/43/95/60/1037439560.db2.gz HRDANVQAHACEKK-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000591506029 1037439575 /nfs/dbraw/zinc/43/95/75/1037439575.db2.gz HRDANVQAHACEKK-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171063977 1037444544 /nfs/dbraw/zinc/44/45/44/1037444544.db2.gz ZKWRNSGIWRTETP-UHFFFAOYSA-N 1 2 329.469 3.861 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000591504936 1037452055 /nfs/dbraw/zinc/45/20/55/1037452055.db2.gz RJMOAEKEBXJYEE-SJORKVTESA-N 1 2 347.503 3.506 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000491416900 1037467376 /nfs/dbraw/zinc/46/73/76/1037467376.db2.gz MPNXPVGBYJOEFJ-SNAWJCMRSA-N 1 2 329.831 3.791 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000376535408 1037489397 /nfs/dbraw/zinc/48/93/97/1037489397.db2.gz YOFFAAWUIPPJTQ-INIZCTEOSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000376535408 1037489408 /nfs/dbraw/zinc/48/94/08/1037489408.db2.gz YOFFAAWUIPPJTQ-INIZCTEOSA-N 1 2 331.485 3.627 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000573423937 1037491697 /nfs/dbraw/zinc/49/16/97/1037491697.db2.gz SBUPNIJYPPHSOK-LJQANCHMSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640153277 1037518664 /nfs/dbraw/zinc/51/86/64/1037518664.db2.gz ODZFLINTULFIMG-KSSFIOAISA-N 1 2 332.394 3.646 20 0 EHADLO CCCOc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1OCCC ZINC000493661346 1037519139 /nfs/dbraw/zinc/51/91/39/1037519139.db2.gz XLCLLUZAOCJRHF-BQYQJAHWSA-N 1 2 329.400 3.639 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493644378 1037526626 /nfs/dbraw/zinc/52/66/26/1037526626.db2.gz NQNWSDRGSWCVFW-SXSDINLZSA-N 1 2 325.412 3.575 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000493645526 1037526674 /nfs/dbraw/zinc/52/66/74/1037526674.db2.gz DYZZBZDCXIDJIG-NITQITEJSA-N 1 2 327.453 3.969 20 0 EHADLO CCC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccn1 ZINC000591606419 1037527534 /nfs/dbraw/zinc/52/75/34/1037527534.db2.gz YIGJOCAQLRZJLH-QGZVFWFLSA-N 1 2 341.459 3.509 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000532502794 1037529864 /nfs/dbraw/zinc/52/98/64/1037529864.db2.gz SMSHJVHYYGGPAR-HIFRSBDPSA-N 1 2 334.261 3.988 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591590433 1037534494 /nfs/dbraw/zinc/53/44/94/1037534494.db2.gz HMJGOZQIEJIJKW-IAGOWNOFSA-N 1 2 332.492 3.932 20 0 EHADLO C[N@H+](C[C@@H]1CCCO1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000151693783 1037540195 /nfs/dbraw/zinc/54/01/95/1037540195.db2.gz VPQNMNNWLMVGKV-JTQLQIEISA-N 1 2 340.798 3.958 20 0 EHADLO C[N@@H+](C[C@@H]1CCCO1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000151693783 1037540205 /nfs/dbraw/zinc/54/02/05/1037540205.db2.gz VPQNMNNWLMVGKV-JTQLQIEISA-N 1 2 340.798 3.958 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(F)c1 ZINC000532529235 1037552137 /nfs/dbraw/zinc/55/21/37/1037552137.db2.gz HJKCLBZWFWWPDT-SFHVURJKSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(F)c1 ZINC000532529235 1037552154 /nfs/dbraw/zinc/55/21/54/1037552154.db2.gz HJKCLBZWFWWPDT-SFHVURJKSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)s1 ZINC000760879319 1037565664 /nfs/dbraw/zinc/56/56/64/1037565664.db2.gz CQIJJOMUYJNFDL-RYUDHWBXSA-N 1 2 327.457 3.752 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccccc2Cl)n(C)c1C ZINC000462958485 1037592639 /nfs/dbraw/zinc/59/26/39/1037592639.db2.gz VRRYMSXLVNFSTA-LBPRGKRZSA-N 1 2 334.847 3.967 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccccc2Cl)n(C)c1C ZINC000462958485 1037592645 /nfs/dbraw/zinc/59/26/45/1037592645.db2.gz VRRYMSXLVNFSTA-LBPRGKRZSA-N 1 2 334.847 3.967 20 0 EHADLO CCCCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1Cl ZINC000573504628 1037593327 /nfs/dbraw/zinc/59/33/27/1037593327.db2.gz UQNHPEWKTXXEDB-CYBMUJFWSA-N 1 2 349.862 3.737 20 0 EHADLO CCCCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1Cl ZINC000573504628 1037593337 /nfs/dbraw/zinc/59/33/37/1037593337.db2.gz UQNHPEWKTXXEDB-CYBMUJFWSA-N 1 2 349.862 3.737 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000925272712 1037609568 /nfs/dbraw/zinc/60/95/68/1037609568.db2.gz VFACYWURVJGGCV-OLZOCXBDSA-N 1 2 346.450 3.946 20 0 EHADLO Brc1ccc([C@@H]2CCCN2c2nccn3c[nH+]cc23)s1 ZINC000893147845 1037615219 /nfs/dbraw/zinc/61/52/19/1037615219.db2.gz FKSNVTLRUNLFHH-JTQLQIEISA-N 1 2 349.257 3.895 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)s2)sc1C ZINC000026904945 1037622015 /nfs/dbraw/zinc/62/20/15/1037622015.db2.gz CEJRBBYRKFLOLJ-SECBINFHSA-N 1 2 343.905 3.934 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)s2)sc1C ZINC000026904945 1037622023 /nfs/dbraw/zinc/62/20/23/1037622023.db2.gz CEJRBBYRKFLOLJ-SECBINFHSA-N 1 2 343.905 3.934 20 0 EHADLO C[C@@H]1C[C@H]1[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000172774646 1037646396 /nfs/dbraw/zinc/64/63/96/1037646396.db2.gz ACQBUVIAJUFEJN-WDBKCZKBSA-N 1 2 327.819 3.826 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000493846926 1037663106 /nfs/dbraw/zinc/66/31/06/1037663106.db2.gz CBSWAGWSMRGTQU-KTKRTIGZSA-N 1 2 338.411 3.580 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000463035859 1037676118 /nfs/dbraw/zinc/67/61/18/1037676118.db2.gz PZBFMKNGHNLBLT-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000463028847 1037684017 /nfs/dbraw/zinc/68/40/17/1037684017.db2.gz PNPTYHQVVJHKAC-OAHLLOKOSA-N 1 2 335.444 3.792 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000463028847 1037684026 /nfs/dbraw/zinc/68/40/26/1037684026.db2.gz PNPTYHQVVJHKAC-OAHLLOKOSA-N 1 2 335.444 3.792 20 0 EHADLO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCn2c[nH+]cc2C1 ZINC000378057230 1037776521 /nfs/dbraw/zinc/77/65/21/1037776521.db2.gz KEAPPGVGKJCPRK-UHFFFAOYSA-N 1 2 343.839 3.921 20 0 EHADLO CCOC1CC[NH+](CC(=O)c2cc(C)n(CCC(C)C)c2C)CC1 ZINC000085787852 1037779660 /nfs/dbraw/zinc/77/96/60/1037779660.db2.gz FKCHEGAWYWNRNW-UHFFFAOYSA-N 1 2 334.504 3.835 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)nc1 ZINC000592137265 1037842310 /nfs/dbraw/zinc/84/23/10/1037842310.db2.gz IYKPIRDZNWUCCM-UHFFFAOYSA-N 1 2 330.815 3.691 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](CC)c2ccc(OC)cc2)cs1 ZINC000540342538 1037847435 /nfs/dbraw/zinc/84/74/35/1037847435.db2.gz GQTAMKAJKOGSCG-HNNXBMFYSA-N 1 2 334.441 3.569 20 0 EHADLO CCCC[C@@H](SCc1c[nH+]cn1Cc1ccccc1)C(=O)OC ZINC000475885538 1037861540 /nfs/dbraw/zinc/86/15/40/1037861540.db2.gz COGUHLJYXUTPEC-QGZVFWFLSA-N 1 2 332.469 3.896 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000119158550 1037885186 /nfs/dbraw/zinc/88/51/86/1037885186.db2.gz UXDPHCKBQAVVIQ-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000119186238 1037888523 /nfs/dbraw/zinc/88/85/23/1037888523.db2.gz RQXZLFPSBQJLCG-FSNWXROXSA-N 1 2 343.858 3.568 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)s1 ZINC000592372567 1037921199 /nfs/dbraw/zinc/92/11/99/1037921199.db2.gz MPCWMLNVWHGLGU-UHFFFAOYSA-N 1 2 344.408 3.617 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)n1 ZINC000540418728 1037922052 /nfs/dbraw/zinc/92/20/52/1037922052.db2.gz LPFCCWLHRGXFTR-IBGZPJMESA-N 1 2 349.434 3.655 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)c(C)[nH+]1 ZINC000913807808 1037922170 /nfs/dbraw/zinc/92/21/70/1037922170.db2.gz UJMHNAMFCQSIGR-NSHDSACASA-N 1 2 337.345 3.912 20 0 EHADLO OC[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1c(F)cccc1F ZINC000271492459 1037931812 /nfs/dbraw/zinc/93/18/12/1037931812.db2.gz PCOXIRAATPJHTB-CABCVRRESA-N 1 2 339.382 3.964 20 0 EHADLO CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000540413692 1037939534 /nfs/dbraw/zinc/93/95/34/1037939534.db2.gz GHDSSSMJXCCWFS-INIZCTEOSA-N 1 2 346.519 3.764 20 0 EHADLO COc1ccc(C)cc1[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454189568 1037973828 /nfs/dbraw/zinc/97/38/28/1037973828.db2.gz XXNJADJNYJNFPD-HNNXBMFYSA-N 1 2 327.428 3.576 20 0 EHADLO c1cc(-c2cc[nH+]c(NCc3ccc(OC4COC4)cc3)c2)ccn1 ZINC001168462129 1038002469 /nfs/dbraw/zinc/00/24/69/1038002469.db2.gz HJMLDZPGTLNLCA-UHFFFAOYSA-N 1 2 333.391 3.533 20 0 EHADLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001272077945 1038018141 /nfs/dbraw/zinc/01/81/41/1038018141.db2.gz NZMFQCXKSSIBRG-CALCHBBNSA-N 1 2 345.512 3.517 20 0 EHADLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001272077945 1038018156 /nfs/dbraw/zinc/01/81/56/1038018156.db2.gz NZMFQCXKSSIBRG-CALCHBBNSA-N 1 2 345.512 3.517 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(Br)cc3)ccc2[nH+]1 ZINC000041305253 1038079196 /nfs/dbraw/zinc/07/91/96/1038079196.db2.gz FHHACRVWCQLIRX-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CCSc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000124114437 1038140365 /nfs/dbraw/zinc/14/03/65/1038140365.db2.gz HUYCRRNJRONENR-PBHICJAKSA-N 1 2 329.469 3.718 20 0 EHADLO CCSc1cccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000124308726 1038167916 /nfs/dbraw/zinc/16/79/16/1038167916.db2.gz XYGHTNOBAPJXFM-HNNXBMFYSA-N 1 2 343.496 3.627 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(C)c1 ZINC000124581705 1038207606 /nfs/dbraw/zinc/20/76/06/1038207606.db2.gz OVPGPCDPHJLHEU-ACJLOTCBSA-N 1 2 326.831 3.909 20 0 EHADLO CCCc1csc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000180620122 1038223521 /nfs/dbraw/zinc/22/35/21/1038223521.db2.gz XCWPPQPNLVNHGX-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000106878609 1038241154 /nfs/dbraw/zinc/24/11/54/1038241154.db2.gz IKVIQBXMYIJGTK-LMRQPLJMSA-N 1 2 337.533 3.694 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000106878609 1038241169 /nfs/dbraw/zinc/24/11/69/1038241169.db2.gz IKVIQBXMYIJGTK-LMRQPLJMSA-N 1 2 337.533 3.694 20 0 EHADLO COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000043077282 1038277941 /nfs/dbraw/zinc/27/79/41/1038277941.db2.gz WHXGJFKDWUIVSA-UHFFFAOYSA-N 1 2 341.436 3.523 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCC[C@H]2C)C[C@H](C)O1 ZINC000125280862 1038301824 /nfs/dbraw/zinc/30/18/24/1038301824.db2.gz CEOXPKBVKJRZAH-ZACQAIPSSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCC[C@H]2C)C[C@H](C)O1 ZINC000125280862 1038301833 /nfs/dbraw/zinc/30/18/33/1038301833.db2.gz CEOXPKBVKJRZAH-ZACQAIPSSA-N 1 2 345.487 3.702 20 0 EHADLO Cc1cn2cc(NC(=O)CCCOc3ccccc3F)ccc2[nH+]1 ZINC000339115876 1038334624 /nfs/dbraw/zinc/33/46/24/1038334624.db2.gz GQWHVMXJBJFKEP-UHFFFAOYSA-N 1 2 327.359 3.580 20 0 EHADLO Cc1cc(NC(=O)CCc2cc(Br)cs2)cc[nH+]1 ZINC000107343030 1038337872 /nfs/dbraw/zinc/33/78/72/1038337872.db2.gz AEVBJAGXWPFGLG-UHFFFAOYSA-N 1 2 325.231 3.785 20 0 EHADLO Cc1cc2cc([C@H](C)[NH2+]Cc3nnnn3-c3ccccc3)oc2cc1C ZINC000538523427 1038343167 /nfs/dbraw/zinc/34/31/67/1038343167.db2.gz YEBSMMHHSNUWLE-HNNXBMFYSA-N 1 2 347.422 3.876 20 0 EHADLO Cc1nc2c(s1)[C@H](OC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000181151714 1038349264 /nfs/dbraw/zinc/34/92/64/1038349264.db2.gz RBUMSGHVRCOOCH-MRXNPFEDSA-N 1 2 339.420 3.872 20 0 EHADLO CC1(C)C[C@H](c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)CCO1 ZINC000351196026 1038355184 /nfs/dbraw/zinc/35/51/84/1038355184.db2.gz UMLDFQQNTBOPIT-MRXNPFEDSA-N 1 2 338.411 3.654 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCN(c3ccccc3)C[C@H]2CC)n1 ZINC000461387065 1038386604 /nfs/dbraw/zinc/38/66/04/1038386604.db2.gz RKVBXCRXNGDWJG-MRXNPFEDSA-N 1 2 328.460 3.513 20 0 EHADLO CCCCc1noc(C[N@H+]2CCN(c3ccccc3)C[C@H]2CC)n1 ZINC000461387065 1038386618 /nfs/dbraw/zinc/38/66/18/1038386618.db2.gz RKVBXCRXNGDWJG-MRXNPFEDSA-N 1 2 328.460 3.513 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000538613369 1038424136 /nfs/dbraw/zinc/42/41/36/1038424136.db2.gz OXNDCLTYWXREMI-AWEZNQCLSA-N 1 2 339.222 3.929 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659941645 1038436766 /nfs/dbraw/zinc/43/67/66/1038436766.db2.gz AYABRMXUGDYBNA-LLVKDONJSA-N 1 2 330.375 3.840 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659941645 1038436774 /nfs/dbraw/zinc/43/67/74/1038436774.db2.gz AYABRMXUGDYBNA-LLVKDONJSA-N 1 2 330.375 3.840 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1Oc1cccnc1 ZINC000538722808 1038491855 /nfs/dbraw/zinc/49/18/55/1038491855.db2.gz RJEJXORTNOHBJF-INIZCTEOSA-N 1 2 342.439 3.954 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1Oc1cccnc1 ZINC000538722808 1038491863 /nfs/dbraw/zinc/49/18/63/1038491863.db2.gz RJEJXORTNOHBJF-INIZCTEOSA-N 1 2 342.439 3.954 20 0 EHADLO C[N@H+](Cn1nnn(C(C)(C)C)c1=S)[C@H]1CCCc2ccccc21 ZINC000024601180 1038606924 /nfs/dbraw/zinc/60/69/24/1038606924.db2.gz AZPSXFHQBJFJIA-HNNXBMFYSA-N 1 2 331.489 3.531 20 0 EHADLO C[N@@H+](Cn1nnn(C(C)(C)C)c1=S)[C@H]1CCCc2ccccc21 ZINC000024601180 1038606930 /nfs/dbraw/zinc/60/69/30/1038606930.db2.gz AZPSXFHQBJFJIA-HNNXBMFYSA-N 1 2 331.489 3.531 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC[C@H]2CCc3ccccc32)c2cn[nH]n2)cc1 ZINC000651376254 1038621463 /nfs/dbraw/zinc/62/14/63/1038621463.db2.gz VNVJEGQSOUCEQF-QRWLVFNGSA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC[C@H]2CCc3ccccc32)c2c[nH]nn2)cc1 ZINC000651376254 1038621465 /nfs/dbraw/zinc/62/14/65/1038621465.db2.gz VNVJEGQSOUCEQF-QRWLVFNGSA-N 1 2 336.414 3.743 20 0 EHADLO CCC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ncccc1Cl ZINC000924681066 1038640326 /nfs/dbraw/zinc/64/03/26/1038640326.db2.gz LEGNLOQXCLJPGQ-INIZCTEOSA-N 1 2 349.862 3.786 20 0 EHADLO CC(=O)N1CC[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)c2ccccc2C1 ZINC000378499008 1038670373 /nfs/dbraw/zinc/67/03/73/1038670373.db2.gz SRGXAZIFNYEOMH-NRFANRHFSA-N 1 2 349.478 3.974 20 0 EHADLO CC(=O)N1CC[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)c2ccccc2C1 ZINC000378499008 1038670375 /nfs/dbraw/zinc/67/03/75/1038670375.db2.gz SRGXAZIFNYEOMH-NRFANRHFSA-N 1 2 349.478 3.974 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000378501661 1038673879 /nfs/dbraw/zinc/67/38/79/1038673879.db2.gz WIFIUPLUDXNTIA-QGZVFWFLSA-N 1 2 338.798 3.508 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667204786 1038696042 /nfs/dbraw/zinc/69/60/42/1038696042.db2.gz BFHORVOKHKEJCN-DAWZGUTISA-N 1 2 330.476 3.589 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cs1 ZINC000378601522 1038753535 /nfs/dbraw/zinc/75/35/35/1038753535.db2.gz SWDNOJDRSUYGGU-FVNWOWOISA-N 1 2 327.453 3.779 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cs1 ZINC000378601522 1038753544 /nfs/dbraw/zinc/75/35/44/1038753544.db2.gz SWDNOJDRSUYGGU-FVNWOWOISA-N 1 2 327.453 3.779 20 0 EHADLO CCCn1nccc1C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000667567206 1038785295 /nfs/dbraw/zinc/78/52/95/1038785295.db2.gz SDJMQAZSVYKVCX-INIZCTEOSA-N 1 2 328.460 3.532 20 0 EHADLO CCCn1nccc1C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000667567206 1038785316 /nfs/dbraw/zinc/78/53/16/1038785316.db2.gz SDJMQAZSVYKVCX-INIZCTEOSA-N 1 2 328.460 3.532 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2ccnn2CC2CC2)C[C@H]2CCCO2)c1 ZINC000667564235 1038786921 /nfs/dbraw/zinc/78/69/21/1038786921.db2.gz GIQYWPWLHISFOA-HXUWFJFHSA-N 1 2 343.446 3.613 20 0 EHADLO Fc1cccc(C[N@H+](Cc2ccnn2CC2CC2)C[C@H]2CCCO2)c1 ZINC000667564235 1038786939 /nfs/dbraw/zinc/78/69/39/1038786939.db2.gz GIQYWPWLHISFOA-HXUWFJFHSA-N 1 2 343.446 3.613 20 0 EHADLO CCc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)o1 ZINC000500499650 1038846599 /nfs/dbraw/zinc/84/65/99/1038846599.db2.gz QQZQBJNGNLKXIL-AWEZNQCLSA-N 1 2 340.192 3.967 20 0 EHADLO Cc1nn(C)c2ncc(CNc3[nH+]c4ccccc4n3CC3CC3)cc12 ZINC000905430460 1038895617 /nfs/dbraw/zinc/89/56/17/1038895617.db2.gz VSLDZLPEIGOCEP-UHFFFAOYSA-N 1 2 346.438 3.649 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(F)cc1F ZINC000552036084 1038902117 /nfs/dbraw/zinc/90/21/17/1038902117.db2.gz VLVHTDZJZCSRNI-HDJSIYSDSA-N 1 2 345.393 3.821 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668827736 1038903272 /nfs/dbraw/zinc/90/32/72/1038903272.db2.gz ZYPZUWOVFDABLG-MDNBWPLSSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668827736 1038903274 /nfs/dbraw/zinc/90/32/74/1038903274.db2.gz ZYPZUWOVFDABLG-MDNBWPLSSA-N 1 2 325.399 3.592 20 0 EHADLO Cc1c(C[NH2+]Cc2c(Br)ccc(Cl)c2F)cnn1C ZINC000893268400 1038911025 /nfs/dbraw/zinc/91/10/25/1038911025.db2.gz DJCGFMKKLFDECG-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)s2)c1 ZINC000554110123 1038912451 /nfs/dbraw/zinc/91/24/51/1038912451.db2.gz PTEYRVOWPIHCRM-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000554110416 1038914804 /nfs/dbraw/zinc/91/48/04/1038914804.db2.gz KEKXRIGQWDAZNH-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000488165572 1038926628 /nfs/dbraw/zinc/92/66/28/1038926628.db2.gz SXFJQRXWAXPJLJ-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000488165572 1038926641 /nfs/dbraw/zinc/92/66/41/1038926641.db2.gz SXFJQRXWAXPJLJ-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO CC(C)CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000485353635 1038958725 /nfs/dbraw/zinc/95/87/25/1038958725.db2.gz GEQHSJALZOXOTL-UHFFFAOYSA-N 1 2 348.878 3.794 20 0 EHADLO CC[C@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001125890304 1038970723 /nfs/dbraw/zinc/97/07/23/1038970723.db2.gz MCSXAOQBUWKONG-QGZVFWFLSA-N 1 2 332.488 3.920 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCCC[C@@H]3C)cn2c1 ZINC000512392616 1038970726 /nfs/dbraw/zinc/97/07/26/1038970726.db2.gz WTAJKNXQICKTGB-HNNXBMFYSA-N 1 2 331.485 3.667 20 0 EHADLO COc1cc(CNc2ccc(N3CCCC3)[nH+]c2)cc(Cl)c1OC ZINC000124568807 1038980831 /nfs/dbraw/zinc/98/08/31/1038980831.db2.gz GNJUKNWMPOWAIK-UHFFFAOYSA-N 1 2 347.846 3.965 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432743421 1039005602 /nfs/dbraw/zinc/00/56/02/1039005602.db2.gz ZCUZHTOXMRVTJB-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432743421 1039005622 /nfs/dbraw/zinc/00/56/22/1039005622.db2.gz ZCUZHTOXMRVTJB-LBPRGKRZSA-N 1 2 334.407 3.600 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CCO2)cc1 ZINC000552143189 1039019382 /nfs/dbraw/zinc/01/93/82/1039019382.db2.gz HWMUQMLEFLWBEH-SFHVURJKSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CCO2)cc1 ZINC000552143189 1039019402 /nfs/dbraw/zinc/01/94/02/1039019402.db2.gz HWMUQMLEFLWBEH-SFHVURJKSA-N 1 2 327.815 3.790 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3s2)[C@H](CC)CN1C(C)=O ZINC000432751014 1039041708 /nfs/dbraw/zinc/04/17/08/1039041708.db2.gz QWIXMNNXSOMKEB-HUUCEWRRSA-N 1 2 349.475 3.657 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3s2)[C@H](CC)CN1C(C)=O ZINC000432751014 1039041726 /nfs/dbraw/zinc/04/17/26/1039041726.db2.gz QWIXMNNXSOMKEB-HUUCEWRRSA-N 1 2 349.475 3.657 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000660096485 1039068323 /nfs/dbraw/zinc/06/83/23/1039068323.db2.gz VLXXMISOUXEKBN-FQEVSTJZSA-N 1 2 343.434 3.854 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660096485 1039068342 /nfs/dbraw/zinc/06/83/42/1039068342.db2.gz VLXXMISOUXEKBN-FQEVSTJZSA-N 1 2 343.434 3.854 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000818039109 1039080456 /nfs/dbraw/zinc/08/04/56/1039080456.db2.gz SFOKLXPGUAPDLN-QMMMGPOBSA-N 1 2 334.153 3.756 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCC(F)(F)C1 ZINC000552230515 1039095671 /nfs/dbraw/zinc/09/56/71/1039095671.db2.gz IEZYIYSFZWCYCQ-KKUMJFAQSA-N 1 2 337.414 3.746 20 0 EHADLO Fc1cccc(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1F ZINC000552243266 1039106496 /nfs/dbraw/zinc/10/64/96/1039106496.db2.gz UYYJRFZEQWMNKP-UHFFFAOYSA-N 1 2 342.389 3.563 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000061760834 1039172151 /nfs/dbraw/zinc/17/21/51/1039172151.db2.gz IBCMDJXVZWUACC-UHFFFAOYSA-N 1 2 328.456 3.767 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000061760834 1039172160 /nfs/dbraw/zinc/17/21/60/1039172160.db2.gz IBCMDJXVZWUACC-UHFFFAOYSA-N 1 2 328.456 3.767 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000185673970 1039176887 /nfs/dbraw/zinc/17/68/87/1039176887.db2.gz MTRJMSKMJGGPTL-SFHVURJKSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1nn2c(C[N@@H+](C)Cc3ccc(F)c(Cl)c3)c(C)nc2s1 ZINC000432789866 1039182876 /nfs/dbraw/zinc/18/28/76/1039182876.db2.gz AMJHWMHBEUCFQD-UHFFFAOYSA-N 1 2 338.839 3.832 20 0 EHADLO Cc1nn2c(C[N@H+](C)Cc3ccc(F)c(Cl)c3)c(C)nc2s1 ZINC000432789866 1039182884 /nfs/dbraw/zinc/18/28/84/1039182884.db2.gz AMJHWMHBEUCFQD-UHFFFAOYSA-N 1 2 338.839 3.832 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488441760 1039184585 /nfs/dbraw/zinc/18/45/85/1039184585.db2.gz DMUDIQCAYXEONQ-KBXCAEBGSA-N 1 2 334.414 3.825 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488441760 1039184591 /nfs/dbraw/zinc/18/45/91/1039184591.db2.gz DMUDIQCAYXEONQ-KBXCAEBGSA-N 1 2 334.414 3.825 20 0 EHADLO CCCC(C)(C)CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000485513544 1039189151 /nfs/dbraw/zinc/18/91/51/1039189151.db2.gz IUPULVURZNWYBI-UHFFFAOYSA-N 1 2 332.488 3.982 20 0 EHADLO CC[N@H+](Cc1nn(C)cc1Br)[C@@H](C)Cc1ccsc1 ZINC000432790649 1039195931 /nfs/dbraw/zinc/19/59/31/1039195931.db2.gz DAQXQRWPFLMHTL-NSHDSACASA-N 1 2 342.306 3.697 20 0 EHADLO CC[N@@H+](Cc1nn(C)cc1Br)[C@@H](C)Cc1ccsc1 ZINC000432790649 1039195936 /nfs/dbraw/zinc/19/59/36/1039195936.db2.gz DAQXQRWPFLMHTL-NSHDSACASA-N 1 2 342.306 3.697 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000488464900 1039207367 /nfs/dbraw/zinc/20/73/67/1039207367.db2.gz NOPDIYBWLWJCTC-XYJFISCASA-N 1 2 341.503 3.633 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)[C@@H]1c1cccs1 ZINC000554310353 1039214661 /nfs/dbraw/zinc/21/46/61/1039214661.db2.gz JBWFBZGHHWDEMT-NVXWUHKLSA-N 1 2 326.465 3.937 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)[C@@H]1c1cccs1 ZINC000554310353 1039214682 /nfs/dbraw/zinc/21/46/82/1039214682.db2.gz JBWFBZGHHWDEMT-NVXWUHKLSA-N 1 2 326.465 3.937 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[nH]1 ZINC000488489141 1039224630 /nfs/dbraw/zinc/22/46/30/1039224630.db2.gz SLOXZOBBWIFLSJ-LISAXSMJSA-N 1 2 341.503 3.804 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2c(F)cccc2Br)C1 ZINC000668515338 1039251252 /nfs/dbraw/zinc/25/12/52/1039251252.db2.gz UZWYFIKVPXMSSB-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccccc2)O1 ZINC000512461909 1039257903 /nfs/dbraw/zinc/25/79/03/1039257903.db2.gz GNIRDAMLMGKRHT-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccccc2)O1 ZINC000512461909 1039257921 /nfs/dbraw/zinc/25/79/21/1039257921.db2.gz GNIRDAMLMGKRHT-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488558805 1039274250 /nfs/dbraw/zinc/27/42/50/1039274250.db2.gz LVRWTZKVSIJZKQ-UHFFFAOYSA-N 1 2 343.368 3.766 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488558805 1039274258 /nfs/dbraw/zinc/27/42/58/1039274258.db2.gz LVRWTZKVSIJZKQ-UHFFFAOYSA-N 1 2 343.368 3.766 20 0 EHADLO CCN(CC)c1ncc(C[NH2+]Cc2cc(-c3ccccc3)on2)s1 ZINC000236993037 1039291024 /nfs/dbraw/zinc/29/10/24/1039291024.db2.gz YSHCIBQKCOSHQV-UHFFFAOYSA-N 1 2 342.468 3.934 20 0 EHADLO Fc1ccc(OCC2CCOCC2)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC000906156519 1039325947 /nfs/dbraw/zinc/32/59/47/1039325947.db2.gz KSBXSIGCBJCPMR-UHFFFAOYSA-N 1 2 342.414 3.694 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)ccc21 ZINC000667309504 1039340467 /nfs/dbraw/zinc/34/04/67/1039340467.db2.gz WNZDKYCPHJHNDF-IAGOWNOFSA-N 1 2 336.439 3.773 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1C ZINC000431917304 1039341704 /nfs/dbraw/zinc/34/17/04/1039341704.db2.gz VPPIHEZDTISMEG-ATZDWAIDSA-N 1 2 338.451 3.715 20 0 EHADLO COc1cc(C)c([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC000906168169 1039348546 /nfs/dbraw/zinc/34/85/46/1039348546.db2.gz LWYGMHWSRPMLKR-AWEZNQCLSA-N 1 2 342.439 3.823 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464412 1039363473 /nfs/dbraw/zinc/36/34/73/1039363473.db2.gz WACURZANLQJXSS-NVXWUHKLSA-N 1 2 341.459 3.759 20 0 EHADLO CC(=O)c1cc(F)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000906211265 1039387284 /nfs/dbraw/zinc/38/72/84/1039387284.db2.gz CDMLYTXDIRYXDO-UHFFFAOYSA-N 1 2 344.386 3.860 20 0 EHADLO CCCC(=O)Nc1cccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000906219209 1039394075 /nfs/dbraw/zinc/39/40/75/1039394075.db2.gz QKVAWUJOFOJVDZ-UHFFFAOYSA-N 1 2 339.439 3.675 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2nsc3ccccc32)CC12CCCCC2 ZINC000660152703 1039394521 /nfs/dbraw/zinc/39/45/21/1039394521.db2.gz BDVFXNAMCKRHIU-UHFFFAOYSA-N 1 2 343.496 3.663 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2nsc3ccccc32)CC12CCCCC2 ZINC000660152703 1039394535 /nfs/dbraw/zinc/39/45/35/1039394535.db2.gz BDVFXNAMCKRHIU-UHFFFAOYSA-N 1 2 343.496 3.663 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000480305049 1039413187 /nfs/dbraw/zinc/41/31/87/1039413187.db2.gz DDXKTNYBLVRHNS-CHWSQXEVSA-N 1 2 328.382 3.634 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000480305049 1039413195 /nfs/dbraw/zinc/41/31/95/1039413195.db2.gz DDXKTNYBLVRHNS-CHWSQXEVSA-N 1 2 328.382 3.634 20 0 EHADLO OC[C@H](C1CCC1)[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000645986817 1039414581 /nfs/dbraw/zinc/41/45/81/1039414581.db2.gz LYUKIGYQFVMKSG-QGZVFWFLSA-N 1 2 343.496 3.579 20 0 EHADLO OC[C@H](C1CCC1)[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000645986817 1039414594 /nfs/dbraw/zinc/41/45/94/1039414594.db2.gz LYUKIGYQFVMKSG-QGZVFWFLSA-N 1 2 343.496 3.579 20 0 EHADLO Fc1ccccc1C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667657719 1039415500 /nfs/dbraw/zinc/41/55/00/1039415500.db2.gz ODXLRBIKXWRIRA-UHFFFAOYSA-N 1 2 336.414 3.786 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666222 1039468731 /nfs/dbraw/zinc/46/87/31/1039468731.db2.gz GALFDZYCKUKYPF-UYAOXDASSA-N 1 2 337.467 3.706 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nc2cc(Cl)cc(Cl)c2o1 ZINC000432830562 1039478779 /nfs/dbraw/zinc/47/87/79/1039478779.db2.gz RIVOSDRJNNWWMV-UHFFFAOYSA-N 1 2 325.199 3.858 20 0 EHADLO CC(=O)c1nc(CC[N@H+]2CC=C(c3ccccc3Cl)CC2)[nH]c1C ZINC000660166550 1039512687 /nfs/dbraw/zinc/51/26/87/1039512687.db2.gz UBSYNKWSYTVSTA-UHFFFAOYSA-N 1 2 343.858 3.906 20 0 EHADLO CC(=O)c1nc(CC[N@@H+]2CC=C(c3ccccc3Cl)CC2)[nH]c1C ZINC000660166550 1039512701 /nfs/dbraw/zinc/51/27/01/1039512701.db2.gz UBSYNKWSYTVSTA-UHFFFAOYSA-N 1 2 343.858 3.906 20 0 EHADLO CC(=O)c1[nH]c(CC[N@H+]2CC=C(c3ccccc3Cl)CC2)nc1C ZINC000660166550 1039512707 /nfs/dbraw/zinc/51/27/07/1039512707.db2.gz UBSYNKWSYTVSTA-UHFFFAOYSA-N 1 2 343.858 3.906 20 0 EHADLO CC(=O)c1[nH]c(CC[N@@H+]2CC=C(c3ccccc3Cl)CC2)nc1C ZINC000660166550 1039512720 /nfs/dbraw/zinc/51/27/20/1039512720.db2.gz UBSYNKWSYTVSTA-UHFFFAOYSA-N 1 2 343.858 3.906 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)[C@@H](C)[C@H](C)O1 ZINC000488994962 1039531417 /nfs/dbraw/zinc/53/14/17/1039531417.db2.gz HGIFDVKSFIDJBQ-IKGGRYGDSA-N 1 2 326.440 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@@H](C)[C@H](C)O1 ZINC000488994962 1039531424 /nfs/dbraw/zinc/53/14/24/1039531424.db2.gz HGIFDVKSFIDJBQ-IKGGRYGDSA-N 1 2 326.440 3.658 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000554649722 1039568999 /nfs/dbraw/zinc/56/89/99/1039568999.db2.gz ILECNTKFQLKXND-UHFFFAOYSA-N 1 2 347.317 3.894 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@@H](C)C(F)(F)F)CC3)ccc2n1 ZINC000187447938 1039576733 /nfs/dbraw/zinc/57/67/33/1039576733.db2.gz RCUIXOOIGCMEBF-AWEZNQCLSA-N 1 2 337.389 3.612 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@H](C)C(F)(F)F)CC3)ccc2n1 ZINC000187447959 1039602052 /nfs/dbraw/zinc/60/20/52/1039602052.db2.gz RCUIXOOIGCMEBF-CQSZACIVSA-N 1 2 337.389 3.612 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506019 1039619188 /nfs/dbraw/zinc/61/91/88/1039619188.db2.gz LOQTXNICAOLIGU-MAUKXSAKSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506019 1039619193 /nfs/dbraw/zinc/61/91/93/1039619193.db2.gz LOQTXNICAOLIGU-MAUKXSAKSA-N 1 2 344.430 3.799 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(O)c(=O)c1 ZINC000663847770 1039630317 /nfs/dbraw/zinc/63/03/17/1039630317.db2.gz YNOBZNOBQCZMEG-SFHVURJKSA-N 1 2 327.399 3.962 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c(O)c(=O)c1 ZINC000663847770 1039630326 /nfs/dbraw/zinc/63/03/26/1039630326.db2.gz YNOBZNOBQCZMEG-SFHVURJKSA-N 1 2 327.399 3.962 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000536237427 1039664651 /nfs/dbraw/zinc/66/46/51/1039664651.db2.gz GHNLUTOLZWVVAC-MRXNPFEDSA-N 1 2 349.272 3.998 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000536237427 1039664657 /nfs/dbraw/zinc/66/46/57/1039664657.db2.gz GHNLUTOLZWVVAC-MRXNPFEDSA-N 1 2 349.272 3.998 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898894024 1039683175 /nfs/dbraw/zinc/68/31/75/1039683175.db2.gz SSLBMDZDRDDVFO-UHFFFAOYSA-N 1 2 343.452 3.657 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904544 1039690275 /nfs/dbraw/zinc/69/02/75/1039690275.db2.gz HKVNNYAMTVBMKP-MSOLQXFVSA-N 1 2 349.519 3.890 20 0 EHADLO CC(C)(C)c1ccc(CSCC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000906634879 1039693610 /nfs/dbraw/zinc/69/36/10/1039693610.db2.gz CXNGGGVJKWFJCC-UHFFFAOYSA-N 1 2 343.496 3.511 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000553001184 1039696995 /nfs/dbraw/zinc/69/69/95/1039696995.db2.gz OVVXIQTYKUWJQK-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000553001184 1039697017 /nfs/dbraw/zinc/69/70/17/1039697017.db2.gz OVVXIQTYKUWJQK-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO Cc1cccc(C2(C(=O)NCC(C)(C)n3cc[nH+]c3)CCCC2)c1 ZINC000898911122 1039699972 /nfs/dbraw/zinc/69/99/72/1039699972.db2.gz LGNCCBNXNQPHCQ-UHFFFAOYSA-N 1 2 325.456 3.555 20 0 EHADLO FC(F)(F)c1ccc2c(NCc3n[nH]c(C4CC4)n3)cc[nH+]c2c1 ZINC000294882489 1039711448 /nfs/dbraw/zinc/71/14/48/1039711448.db2.gz FKMGOVOBXBJDBV-UHFFFAOYSA-N 1 2 333.317 3.861 20 0 EHADLO Cn1cc([C@@H]([NH2+][C@H]2COCc3ccccc32)c2cccc(F)c2)cn1 ZINC000417355562 1039713386 /nfs/dbraw/zinc/71/33/86/1039713386.db2.gz DJSRCJYZIZWZJX-PMACEKPBSA-N 1 2 337.398 3.510 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187730632 1039715420 /nfs/dbraw/zinc/71/54/20/1039715420.db2.gz CYVPYWHHCFSSRK-GOSISDBHSA-N 1 2 325.387 3.574 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000007878586 1039732490 /nfs/dbraw/zinc/73/24/90/1039732490.db2.gz LCKWAEZYWINOMT-KBXCAEBGSA-N 1 2 340.492 3.861 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000007878586 1039732498 /nfs/dbraw/zinc/73/24/98/1039732498.db2.gz LCKWAEZYWINOMT-KBXCAEBGSA-N 1 2 340.492 3.861 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667411105 1039776098 /nfs/dbraw/zinc/77/60/98/1039776098.db2.gz YCRQSVSLZWOUTP-GFCCVEGCSA-N 1 2 334.420 3.613 20 0 EHADLO Cc1csc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC000927084814 1039804419 /nfs/dbraw/zinc/80/44/19/1039804419.db2.gz WDHJIQRVKOZXDB-UHFFFAOYSA-N 1 2 335.860 3.822 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000554852332 1039834667 /nfs/dbraw/zinc/83/46/67/1039834667.db2.gz DLVKJQPCMDEPQZ-DLBZAZTESA-N 1 2 327.827 3.754 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000554852332 1039834684 /nfs/dbraw/zinc/83/46/84/1039834684.db2.gz DLVKJQPCMDEPQZ-DLBZAZTESA-N 1 2 327.827 3.754 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCCNc4ccccc43)[nH]2)cc1 ZINC000554859657 1039846308 /nfs/dbraw/zinc/84/63/08/1039846308.db2.gz PJZSHCSXHIAQEM-QGZVFWFLSA-N 1 2 337.402 3.647 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000479014452 1039900061 /nfs/dbraw/zinc/90/00/61/1039900061.db2.gz CQERSXQLVPSNEL-UHFFFAOYSA-N 1 2 348.431 3.925 20 0 EHADLO Cc1cc(N2Cc3cnn(-c4ccccc4)c3C2)nc(C2CCC2)[nH+]1 ZINC000893999288 1039956734 /nfs/dbraw/zinc/95/67/34/1039956734.db2.gz FFFIVJHHMRZTHP-UHFFFAOYSA-N 1 2 331.423 3.758 20 0 EHADLO COc1cccc(COc2ccc(C[N@H+](C)Cc3cc[nH]n3)cc2)c1 ZINC000894017614 1039964929 /nfs/dbraw/zinc/96/49/29/1039964929.db2.gz PMTVOVKWZSPYDU-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO COc1cccc(COc2ccc(C[N@@H+](C)Cc3cc[nH]n3)cc2)c1 ZINC000894017614 1039964941 /nfs/dbraw/zinc/96/49/41/1039964941.db2.gz PMTVOVKWZSPYDU-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000554960359 1039997750 /nfs/dbraw/zinc/99/77/50/1039997750.db2.gz MWKOAZPOIZWHLX-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000554960359 1039997760 /nfs/dbraw/zinc/99/77/60/1039997760.db2.gz MWKOAZPOIZWHLX-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000486237055 1040003939 /nfs/dbraw/zinc/00/39/39/1040003939.db2.gz WOPHGSRIISXWEE-QZTJIDSGSA-N 1 2 348.535 3.991 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CCC2(CC2)CC1 ZINC000668978009 1040004965 /nfs/dbraw/zinc/00/49/65/1040004965.db2.gz LXJFNUVWSFTKGD-UHFFFAOYSA-N 1 2 342.483 3.736 20 0 EHADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000668600240 1040022794 /nfs/dbraw/zinc/02/27/94/1040022794.db2.gz IUMXNOXRHLBUDO-QWHCGFSZSA-N 1 2 339.279 3.681 20 0 EHADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000668600240 1040022806 /nfs/dbraw/zinc/02/28/06/1040022806.db2.gz IUMXNOXRHLBUDO-QWHCGFSZSA-N 1 2 339.279 3.681 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC000907439271 1040046627 /nfs/dbraw/zinc/04/66/27/1040046627.db2.gz WNVDBYLJMGXVPV-AWEZNQCLSA-N 1 2 330.378 3.915 20 0 EHADLO Cc1cccc(OCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000489616505 1040092540 /nfs/dbraw/zinc/09/25/40/1040092540.db2.gz LDVFXJJCLXGCLR-UHFFFAOYSA-N 1 2 349.434 3.688 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000667462351 1040098962 /nfs/dbraw/zinc/09/89/62/1040098962.db2.gz FTFVVUQNVFXNEB-HNNXBMFYSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000667462351 1040098972 /nfs/dbraw/zinc/09/89/72/1040098972.db2.gz FTFVVUQNVFXNEB-HNNXBMFYSA-N 1 2 339.361 3.785 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810609 1040178404 /nfs/dbraw/zinc/17/84/04/1040178404.db2.gz PNIAJIAOAGSZGK-QAPCUYQASA-N 1 2 347.503 3.636 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810609 1040178412 /nfs/dbraw/zinc/17/84/12/1040178412.db2.gz PNIAJIAOAGSZGK-QAPCUYQASA-N 1 2 347.503 3.636 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)F ZINC000907814868 1040179916 /nfs/dbraw/zinc/17/99/16/1040179916.db2.gz IAJXPYSQIUDKFQ-CMPLNLGQSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)F ZINC000907814868 1040179925 /nfs/dbraw/zinc/17/99/25/1040179925.db2.gz IAJXPYSQIUDKFQ-CMPLNLGQSA-N 1 2 343.393 3.629 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)n1 ZINC000432929193 1040198545 /nfs/dbraw/zinc/19/85/45/1040198545.db2.gz QAPMAOZQRSUBFZ-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)n1 ZINC000432929193 1040198553 /nfs/dbraw/zinc/19/85/53/1040198553.db2.gz QAPMAOZQRSUBFZ-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO Cn1ccc(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000479406085 1040214732 /nfs/dbraw/zinc/21/47/32/1040214732.db2.gz IJGOKIWZMXWKSA-HNNXBMFYSA-N 1 2 338.224 3.563 20 0 EHADLO Cn1c(C[NH2+]Cc2cc(F)c(F)cc2F)nc2cccc(Cl)c21 ZINC000479409394 1040217243 /nfs/dbraw/zinc/21/72/43/1040217243.db2.gz FDJMGVOZTHSKDQ-UHFFFAOYSA-N 1 2 339.748 3.934 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C3CC3)C3CC3)n2)C1 ZINC000626224481 1040232671 /nfs/dbraw/zinc/23/26/71/1040232671.db2.gz XGMNYKVTYAEQJT-LBPRGKRZSA-N 1 2 334.489 3.534 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C3CC3)C3CC3)n2)C1 ZINC000626224481 1040232688 /nfs/dbraw/zinc/23/26/88/1040232688.db2.gz XGMNYKVTYAEQJT-LBPRGKRZSA-N 1 2 334.489 3.534 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCCc2occc21)Cc1ccccc1Cl ZINC000339239416 1040238102 /nfs/dbraw/zinc/23/81/02/1040238102.db2.gz WAXPEDCJEZCHGP-KRWDZBQOSA-N 1 2 346.858 3.949 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCCc2occc21)Cc1ccccc1Cl ZINC000339239416 1040238113 /nfs/dbraw/zinc/23/81/13/1040238113.db2.gz WAXPEDCJEZCHGP-KRWDZBQOSA-N 1 2 346.858 3.949 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ncc(-c3ccccc3F)s2)CC1 ZINC000555202901 1040284171 /nfs/dbraw/zinc/28/41/71/1040284171.db2.gz QBNLGDINFCCZDR-UHFFFAOYSA-N 1 2 333.432 3.620 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000154420197 1040307893 /nfs/dbraw/zinc/30/78/93/1040307893.db2.gz GWIZQXDJLUPIJG-HZPDHXFCSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000154420197 1040307906 /nfs/dbraw/zinc/30/79/06/1040307906.db2.gz GWIZQXDJLUPIJG-HZPDHXFCSA-N 1 2 348.418 3.969 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000481114597 1040360025 /nfs/dbraw/zinc/36/00/25/1040360025.db2.gz NQDIHJLZAXQYFH-AWEZNQCLSA-N 1 2 333.501 3.771 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000667511806 1040366639 /nfs/dbraw/zinc/36/66/39/1040366639.db2.gz VAJXZFZLLVBZIA-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000667511806 1040366655 /nfs/dbraw/zinc/36/66/55/1040366655.db2.gz VAJXZFZLLVBZIA-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO c1ccc(Oc2cccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)c2)cc1 ZINC000511649905 1040409647 /nfs/dbraw/zinc/40/96/47/1040409647.db2.gz QPDINHLUPWTRSV-NHCUHLMSSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2cccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)c2)cc1 ZINC000511649905 1040409667 /nfs/dbraw/zinc/40/96/67/1040409667.db2.gz QPDINHLUPWTRSV-NHCUHLMSSA-N 1 2 339.435 3.859 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000486783454 1040441810 /nfs/dbraw/zinc/44/18/10/1040441810.db2.gz YBURUTOVOQHVRE-ZDUSSCGKSA-N 1 2 347.846 3.676 20 0 EHADLO Cc1ccc(C(=O)C2CCN(Cc3c[nH+]c4n3CCC4)CC2)c(C)c1 ZINC000667530795 1040466010 /nfs/dbraw/zinc/46/60/10/1040466010.db2.gz LOMNLRKVOSTGQS-UHFFFAOYSA-N 1 2 337.467 3.541 20 0 EHADLO CCC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000486814846 1040466407 /nfs/dbraw/zinc/46/64/07/1040466407.db2.gz KICYCOSFGMFTOP-HNNXBMFYSA-N 1 2 338.854 3.922 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027014 1040494142 /nfs/dbraw/zinc/49/41/42/1040494142.db2.gz JDFYZIMRDRBGQJ-OSPHWJPCSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027014 1040494156 /nfs/dbraw/zinc/49/41/56/1040494156.db2.gz JDFYZIMRDRBGQJ-OSPHWJPCSA-N 1 2 349.540 3.989 20 0 EHADLO Clc1cc2nc(N3CCN(c4cccc[nH+]4)CC3)oc2c(Cl)c1 ZINC000433029087 1040500886 /nfs/dbraw/zinc/50/08/86/1040500886.db2.gz FCWQPYSWPAFBIO-UHFFFAOYSA-N 1 2 349.221 3.856 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000500100838 1040502343 /nfs/dbraw/zinc/50/23/43/1040502343.db2.gz UYPLFCLVWHXFRX-INIZCTEOSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000500100838 1040502361 /nfs/dbraw/zinc/50/23/61/1040502361.db2.gz UYPLFCLVWHXFRX-INIZCTEOSA-N 1 2 331.378 3.751 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]2C2CCCCC2)c(C)[nH+]1 ZINC000411165079 1040525797 /nfs/dbraw/zinc/52/57/97/1040525797.db2.gz NZNDXEOXYWCBIB-KRWDZBQOSA-N 1 2 343.471 3.517 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000667848098 1040548701 /nfs/dbraw/zinc/54/87/01/1040548701.db2.gz PTWFYXNGXGXMAA-RTBURBONSA-N 1 2 325.456 3.848 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC000630031599 1040558692 /nfs/dbraw/zinc/55/86/92/1040558692.db2.gz GTRVOEQNZNMBQE-NRFANRHFSA-N 1 2 348.421 3.960 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC000630031599 1040558711 /nfs/dbraw/zinc/55/87/11/1040558711.db2.gz GTRVOEQNZNMBQE-NRFANRHFSA-N 1 2 348.421 3.960 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000512700988 1040566787 /nfs/dbraw/zinc/56/67/87/1040566787.db2.gz GOKIYTQFGDMHSJ-GSEOLPGOSA-N 1 2 349.478 3.606 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)Nc1c(F)cccc1F ZINC000433061036 1040581771 /nfs/dbraw/zinc/58/17/71/1040581771.db2.gz NUPSPUFHHMZFSV-OAHLLOKOSA-N 1 2 330.378 3.783 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)Nc1c(F)cccc1F ZINC000433061036 1040581785 /nfs/dbraw/zinc/58/17/85/1040581785.db2.gz NUPSPUFHHMZFSV-OAHLLOKOSA-N 1 2 330.378 3.783 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486984424 1040622489 /nfs/dbraw/zinc/62/24/89/1040622489.db2.gz FDNCYAXCPRJKIG-UHFFFAOYSA-N 1 2 348.406 3.639 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)n1 ZINC000600116954 1040662339 /nfs/dbraw/zinc/66/23/39/1040662339.db2.gz PIBJLKIEDXATNL-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)n1 ZINC000600116954 1040662343 /nfs/dbraw/zinc/66/23/43/1040662343.db2.gz PIBJLKIEDXATNL-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278830644 1040665493 /nfs/dbraw/zinc/66/54/93/1040665493.db2.gz DBHBSXCJSJYXRU-DTWKUNHWSA-N 1 2 337.411 3.506 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1F ZINC000364285025 1040683205 /nfs/dbraw/zinc/68/32/05/1040683205.db2.gz UJYJKXTUCQPEJA-PXAZEXFGSA-N 1 2 349.837 3.752 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000894116044 1040703029 /nfs/dbraw/zinc/70/30/29/1040703029.db2.gz BZAGZZHCXYCNGJ-UHFFFAOYSA-N 1 2 329.341 3.927 20 0 EHADLO Oc1cccc(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000645146812 1040720422 /nfs/dbraw/zinc/72/04/22/1040720422.db2.gz YUQAQEOCGKYAGK-UHFFFAOYSA-N 1 2 348.849 3.939 20 0 EHADLO Cc1[nH]c(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)[nH+]c1C ZINC000600147704 1040732239 /nfs/dbraw/zinc/73/22/39/1040732239.db2.gz IDVIEZQQFNVHEZ-XHSDSOJGSA-N 1 2 333.476 3.501 20 0 EHADLO CC[NH+](CC)[C@@H](CN[C@H]1CCc2c1nccc2Cl)c1ccco1 ZINC000924856626 1040746734 /nfs/dbraw/zinc/74/67/34/1040746734.db2.gz XHLRXOJJUIJARC-HOTGVXAUSA-N 1 2 333.863 3.988 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@@H](C)[C@H]2CC)nc1-c1ccncc1 ZINC000248425656 1040760240 /nfs/dbraw/zinc/76/02/40/1040760240.db2.gz KXTFRLDTBGOSOU-GDBMZVCRSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@@H](C)[C@H]2CC)nc1-c1ccncc1 ZINC000248425656 1040760258 /nfs/dbraw/zinc/76/02/58/1040760258.db2.gz KXTFRLDTBGOSOU-GDBMZVCRSA-N 1 2 345.516 3.964 20 0 EHADLO CC[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555559637 1040830553 /nfs/dbraw/zinc/83/05/53/1040830553.db2.gz QYYBFJSMFVSQGH-KURKYZTESA-N 1 2 348.487 3.613 20 0 EHADLO CC[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)[N@H+]1CCO[C@H](CC)C1 ZINC000555559637 1040830568 /nfs/dbraw/zinc/83/05/68/1040830568.db2.gz QYYBFJSMFVSQGH-KURKYZTESA-N 1 2 348.487 3.613 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccncc3s2)C[C@@H](CC(F)(F)F)O1 ZINC000668768748 1040855749 /nfs/dbraw/zinc/85/57/49/1040855749.db2.gz QWPGYGDGOVTJGB-CMPLNLGQSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccncc3s2)C[C@@H](CC(F)(F)F)O1 ZINC000668768748 1040855756 /nfs/dbraw/zinc/85/57/56/1040855756.db2.gz QWPGYGDGOVTJGB-CMPLNLGQSA-N 1 2 330.375 3.838 20 0 EHADLO CCCOc1cccc(F)c1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001211785735 1040880530 /nfs/dbraw/zinc/88/05/30/1040880530.db2.gz JSSRPDQORMRETK-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1C ZINC000043144229 1040892114 /nfs/dbraw/zinc/89/21/14/1040892114.db2.gz WOWVLSOIMDRQJK-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000367671895 1040907318 /nfs/dbraw/zinc/90/73/18/1040907318.db2.gz IODAADUAPALITA-CQSZACIVSA-N 1 2 329.469 3.609 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc2ccccc21 ZINC000899655973 1040921328 /nfs/dbraw/zinc/92/13/28/1040921328.db2.gz GWFPGGLWMFSOQR-JXFKEZNVSA-N 1 2 333.435 3.866 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433165363 1040949080 /nfs/dbraw/zinc/94/90/80/1040949080.db2.gz BUYSOKKDTGDIHV-KRWDZBQOSA-N 1 2 344.480 3.935 20 0 EHADLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000586811430 1041013553 /nfs/dbraw/zinc/01/35/53/1041013553.db2.gz RSDTZBVJOPMJMD-GFCCVEGCSA-N 1 2 340.254 3.890 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419276975 1041051236 /nfs/dbraw/zinc/05/12/36/1041051236.db2.gz GEUIQSRSUVRIBG-KHYOSLBOSA-N 1 2 344.455 3.661 20 0 EHADLO O=C(C=Cc1cccc2ccccc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364393195 1041122437 /nfs/dbraw/zinc/12/24/37/1041122437.db2.gz YRKUVPPHAZJUJG-CMDGGOBGSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(C=Cc1cccc2ccccc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364393195 1041122449 /nfs/dbraw/zinc/12/24/49/1041122449.db2.gz YRKUVPPHAZJUJG-CMDGGOBGSA-N 1 2 331.419 3.982 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)nc1 ZINC000569917734 1041167921 /nfs/dbraw/zinc/16/79/21/1041167921.db2.gz XAPSIGCXWCISIT-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)nc1 ZINC000569917734 1041167930 /nfs/dbraw/zinc/16/79/30/1041167930.db2.gz XAPSIGCXWCISIT-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000481627137 1041174616 /nfs/dbraw/zinc/17/46/16/1041174616.db2.gz OWPPAPJBDVZGLP-SAABIXHNSA-N 1 2 349.409 3.996 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1cccnc1 ZINC000156393791 1041175165 /nfs/dbraw/zinc/17/51/65/1041175165.db2.gz FXMKQUQASFLFLW-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cccnc1 ZINC000156393791 1041175175 /nfs/dbraw/zinc/17/51/75/1041175175.db2.gz FXMKQUQASFLFLW-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2C)c1 ZINC000487974935 1041229099 /nfs/dbraw/zinc/22/90/99/1041229099.db2.gz BACQODKCJDGMTK-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c1 ZINC000487974935 1041229116 /nfs/dbraw/zinc/22/91/16/1041229116.db2.gz BACQODKCJDGMTK-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1nc([C@@](C)([NH2+]CCOc2cccc(C(C)(C)C)c2)C2CC2)no1 ZINC000433299809 1041239887 /nfs/dbraw/zinc/23/98/87/1041239887.db2.gz CEVRGZQTRVCIHB-FQEVSTJZSA-N 1 2 343.471 3.969 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000433302472 1041243074 /nfs/dbraw/zinc/24/30/74/1041243074.db2.gz IKWOLINCMFUMEA-INIZCTEOSA-N 1 2 349.434 3.819 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000433296937 1041250291 /nfs/dbraw/zinc/25/02/91/1041250291.db2.gz UUYIXUKVRNEPMT-UHFFFAOYSA-N 1 2 332.492 3.740 20 0 EHADLO C[N@H+](CCc1cccc(F)c1)Cc1csc(Br)n1 ZINC001137586090 1041268776 /nfs/dbraw/zinc/26/87/76/1041268776.db2.gz WLPWVIPDOKPWID-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO C[N@@H+](CCc1cccc(F)c1)Cc1csc(Br)n1 ZINC001137586090 1041268788 /nfs/dbraw/zinc/26/87/88/1041268788.db2.gz WLPWVIPDOKPWID-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433318295 1041274723 /nfs/dbraw/zinc/27/47/23/1041274723.db2.gz LDNJNXZWZGNZNH-OCCSQVGLSA-N 1 2 335.835 3.810 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433318295 1041274737 /nfs/dbraw/zinc/27/47/37/1041274737.db2.gz LDNJNXZWZGNZNH-OCCSQVGLSA-N 1 2 335.835 3.810 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000571369674 1041295275 /nfs/dbraw/zinc/29/52/75/1041295275.db2.gz YGBLLPGCNYYXHU-HNNXBMFYSA-N 1 2 342.748 3.999 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)n1 ZINC000428751344 1041352218 /nfs/dbraw/zinc/35/22/18/1041352218.db2.gz MLBUAXUXMQVPHX-INIZCTEOSA-N 1 2 343.471 3.849 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000508821231 1041355097 /nfs/dbraw/zinc/35/50/97/1041355097.db2.gz GVWYOIHFGRGMMI-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000500420071 1041423097 /nfs/dbraw/zinc/42/30/97/1041423097.db2.gz CNACAEKVKUTJPL-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000500420071 1041423105 /nfs/dbraw/zinc/42/31/05/1041423105.db2.gz CNACAEKVKUTJPL-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000432063132 1041493857 /nfs/dbraw/zinc/49/38/57/1041493857.db2.gz NEYPKAIXGQYCJR-UHFFFAOYSA-N 1 2 340.471 3.637 20 0 EHADLO COc1ccc(C[N@H+](Cc2coc(C)n2)[C@H](C)C2CC2)c(OC)c1 ZINC000660487119 1041559745 /nfs/dbraw/zinc/55/97/45/1041559745.db2.gz MKPRQPFCAIFIAV-CYBMUJFWSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2coc(C)n2)[C@H](C)C2CC2)c(OC)c1 ZINC000660487119 1041559752 /nfs/dbraw/zinc/55/97/52/1041559752.db2.gz MKPRQPFCAIFIAV-CYBMUJFWSA-N 1 2 330.428 3.801 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)n1 ZINC000293240470 1041608286 /nfs/dbraw/zinc/60/82/86/1041608286.db2.gz HRWLFZDWMYIZBE-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)n1 ZINC000293240470 1041608289 /nfs/dbraw/zinc/60/82/89/1041608289.db2.gz HRWLFZDWMYIZBE-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(N(C)C)nc3)nc2c1 ZINC000660550110 1041659280 /nfs/dbraw/zinc/65/92/80/1041659280.db2.gz FTMLFYISJQLTMH-SFHVURJKSA-N 1 2 335.455 3.669 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(N(C)C)nc3)nc2c1 ZINC000660550110 1041659281 /nfs/dbraw/zinc/65/92/81/1041659281.db2.gz FTMLFYISJQLTMH-SFHVURJKSA-N 1 2 335.455 3.669 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000647692066 1041663592 /nfs/dbraw/zinc/66/35/92/1041663592.db2.gz IDCVLYWXGQOYFD-INIZCTEOSA-N 1 2 337.533 3.680 20 0 EHADLO CC(C)C[N@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1CC1 ZINC000026625789 1041722214 /nfs/dbraw/zinc/72/22/14/1041722214.db2.gz KGBMVSDLRYSAHD-UHFFFAOYSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1CC1 ZINC000026625789 1041722218 /nfs/dbraw/zinc/72/22/18/1041722218.db2.gz KGBMVSDLRYSAHD-UHFFFAOYSA-N 1 2 343.500 3.889 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)no1 ZINC000660632866 1041737023 /nfs/dbraw/zinc/73/70/23/1041737023.db2.gz XZCCJFPMEDEJPD-INIZCTEOSA-N 1 2 334.423 3.820 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3ccccn3)C2)no1 ZINC000660632866 1041737032 /nfs/dbraw/zinc/73/70/32/1041737032.db2.gz XZCCJFPMEDEJPD-INIZCTEOSA-N 1 2 334.423 3.820 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629659 1041739391 /nfs/dbraw/zinc/73/93/91/1041739391.db2.gz FCELMCJWEGDNRP-ZIAGYGMSSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629659 1041739396 /nfs/dbraw/zinc/73/93/96/1041739396.db2.gz FCELMCJWEGDNRP-ZIAGYGMSSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000660708649 1041781285 /nfs/dbraw/zinc/78/12/85/1041781285.db2.gz STCWRVNSPFEORM-LBPRGKRZSA-N 1 2 343.862 3.870 20 0 EHADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000660708649 1041781292 /nfs/dbraw/zinc/78/12/92/1041781292.db2.gz STCWRVNSPFEORM-LBPRGKRZSA-N 1 2 343.862 3.870 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1sc2cc(Cl)ccc2c1Cl ZINC000043947733 1041793819 /nfs/dbraw/zinc/79/38/19/1041793819.db2.gz OUQCLPOPLNCXFQ-UHFFFAOYSA-N 1 2 340.235 3.835 20 0 EHADLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000618444793 1041892335 /nfs/dbraw/zinc/89/23/35/1041892335.db2.gz OMWLZMOLUVDNQU-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1F ZINC000651714011 1041953219 /nfs/dbraw/zinc/95/32/19/1041953219.db2.gz MOXWEUDIRYJFFO-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccncc2Cl)ccc1OC(F)F ZINC000075619753 1042084464 /nfs/dbraw/zinc/08/44/64/1042084464.db2.gz NLBVPWYXGLFBSX-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccncc2Cl)ccc1OC(F)F ZINC000075619753 1042084472 /nfs/dbraw/zinc/08/44/72/1042084472.db2.gz NLBVPWYXGLFBSX-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)o1 ZINC000661384950 1042094166 /nfs/dbraw/zinc/09/41/66/1042094166.db2.gz TVLOFCQWPCGXDW-UHFFFAOYSA-N 1 2 340.254 3.920 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](C)c1cscn1)[C@H](C)c1ccc(F)cc1 ZINC000661418223 1042110595 /nfs/dbraw/zinc/11/05/95/1042110595.db2.gz MUTVMYQHWGBIGU-CHWSQXEVSA-N 1 2 335.448 3.543 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cscn1 ZINC000661421668 1042113948 /nfs/dbraw/zinc/11/39/48/1042113948.db2.gz WFYPFSCLVFDZCU-OLZOCXBDSA-N 1 2 343.452 3.760 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1F ZINC000661486188 1042143644 /nfs/dbraw/zinc/14/36/44/1042143644.db2.gz UKEVLDZMFFCRLV-IBGZPJMESA-N 1 2 339.414 3.560 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001126092289 1042152919 /nfs/dbraw/zinc/15/29/19/1042152919.db2.gz BBWCOHZGBKZGDO-HNNXBMFYSA-N 1 2 327.815 3.739 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514991 1042160866 /nfs/dbraw/zinc/16/08/66/1042160866.db2.gz XEJLNFYMYOUAJO-LJQANCHMSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514991 1042160868 /nfs/dbraw/zinc/16/08/68/1042160868.db2.gz XEJLNFYMYOUAJO-LJQANCHMSA-N 1 2 326.415 3.540 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000661515178 1042160951 /nfs/dbraw/zinc/16/09/51/1042160951.db2.gz ZPVACALOAKUIGG-NJSLBKSFSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000661515178 1042160956 /nfs/dbraw/zinc/16/09/56/1042160956.db2.gz ZPVACALOAKUIGG-NJSLBKSFSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514856 1042161128 /nfs/dbraw/zinc/16/11/28/1042161128.db2.gz VIDIIIYTWSXEJR-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514856 1042161130 /nfs/dbraw/zinc/16/11/30/1042161130.db2.gz VIDIIIYTWSXEJR-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC(C)(C)CC(C)(C)C ZINC000118988844 1042171153 /nfs/dbraw/zinc/17/11/53/1042171153.db2.gz NNFQJNBMHFBLSZ-UHFFFAOYSA-N 1 2 348.491 3.563 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1nc2ccccc2s1 ZINC000066888170 1042206520 /nfs/dbraw/zinc/20/65/20/1042206520.db2.gz MODBHRZJWLIKOB-UHFFFAOYSA-N 1 2 349.419 3.804 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661639669 1042227255 /nfs/dbraw/zinc/22/72/55/1042227255.db2.gz NVVCEMYVSQTGAF-LBPRGKRZSA-N 1 2 331.268 3.924 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661639669 1042227258 /nfs/dbraw/zinc/22/72/58/1042227258.db2.gz NVVCEMYVSQTGAF-LBPRGKRZSA-N 1 2 331.268 3.924 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C2 ZINC000661736945 1042293284 /nfs/dbraw/zinc/29/32/84/1042293284.db2.gz CRUIFENZMNYOFE-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1C(C)C)C2 ZINC000661736945 1042293288 /nfs/dbraw/zinc/29/32/88/1042293288.db2.gz CRUIFENZMNYOFE-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000652330370 1042374013 /nfs/dbraw/zinc/37/40/13/1042374013.db2.gz DOMZPVWWWGHYOA-SFHVURJKSA-N 1 2 334.423 3.903 20 0 EHADLO Cc1cc(Br)c(F)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001126177320 1042417721 /nfs/dbraw/zinc/41/77/21/1042417721.db2.gz FGQDHZCCDCXEDR-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO Clc1cccc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)c1 ZINC000662043882 1042478552 /nfs/dbraw/zinc/47/85/52/1042478552.db2.gz NHAQTQMNZJIAMJ-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO Brc1cc(C[NH+]2CCC(c3ccon3)CC2)cs1 ZINC000662046737 1042479704 /nfs/dbraw/zinc/47/97/04/1042479704.db2.gz MSMZSWSGHSGCBB-UHFFFAOYSA-N 1 2 327.247 3.878 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000053813027 1042560166 /nfs/dbraw/zinc/56/01/66/1042560166.db2.gz ZAULDXYTPIJLGM-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000053813027 1042560171 /nfs/dbraw/zinc/56/01/71/1042560171.db2.gz ZAULDXYTPIJLGM-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(C)cc1C ZINC000602146719 1042665824 /nfs/dbraw/zinc/66/58/24/1042665824.db2.gz CABFQBHVSVDSJM-QGZVFWFLSA-N 1 2 343.427 3.512 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161741544 1042682498 /nfs/dbraw/zinc/68/24/98/1042682498.db2.gz LBMLLYIJOMSTOJ-QGZVFWFLSA-N 1 2 343.446 3.804 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662342629 1042688709 /nfs/dbraw/zinc/68/87/09/1042688709.db2.gz DSSCRLOIUIVXEX-NRFANRHFSA-N 1 2 347.466 3.694 20 0 EHADLO CCCC(CCC)S[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064049485 1042716105 /nfs/dbraw/zinc/71/61/05/1042716105.db2.gz WCIASZIMQCOIDV-MRXNPFEDSA-N 1 2 349.544 3.821 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cc(Cl)cc(Cl)c1 ZINC000043176985 1042736256 /nfs/dbraw/zinc/73/62/56/1042736256.db2.gz NIXFTGNGNWVZBM-UHFFFAOYSA-N 1 2 325.199 3.622 20 0 EHADLO Cc1cc(CNC(=O)NCCC(C)(C)c2ccccc2)cc(C)[nH+]1 ZINC000643227646 1042753620 /nfs/dbraw/zinc/75/36/20/1042753620.db2.gz BSRUSDMQCSDLLN-UHFFFAOYSA-N 1 2 325.456 3.866 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000343899114 1042753658 /nfs/dbraw/zinc/75/36/58/1042753658.db2.gz HFUBADGAAHXCPA-INIZCTEOSA-N 1 2 347.418 3.619 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603089881 1042765531 /nfs/dbraw/zinc/76/55/31/1042765531.db2.gz SQTGKJISKLKPRD-INIZCTEOSA-N 1 2 344.484 3.658 20 0 EHADLO CCc1ccccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278872644 1042792889 /nfs/dbraw/zinc/79/28/89/1042792889.db2.gz CCYCYYABJBGMAE-UHFFFAOYSA-N 1 2 337.467 3.802 20 0 EHADLO c1ccc(Cc2nccc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000165384746 1042801699 /nfs/dbraw/zinc/80/16/99/1042801699.db2.gz FQCFZQSVBOTNIL-UHFFFAOYSA-N 1 2 345.450 3.675 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000604274258 1042902338 /nfs/dbraw/zinc/90/23/38/1042902338.db2.gz HWTMCVHGYWXYNV-GOSISDBHSA-N 1 2 345.446 3.668 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2ccc(F)cc2)cs1 ZINC000236802359 1042903244 /nfs/dbraw/zinc/90/32/44/1042903244.db2.gz SUYCNGQJTCGIAP-UHFFFAOYSA-N 1 2 335.448 3.680 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1F ZINC000165877500 1042905927 /nfs/dbraw/zinc/90/59/27/1042905927.db2.gz XYJSHUADKDPKQV-HEHGZKQESA-N 1 2 348.397 3.515 20 0 EHADLO COc1ccccc1CN1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000303209801 1042918181 /nfs/dbraw/zinc/91/81/81/1042918181.db2.gz QPPUJRVPBRJDGL-INIZCTEOSA-N 1 2 328.431 3.713 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nc(C(C)C)ns3)C2)n1 ZINC000931749709 1042978201 /nfs/dbraw/zinc/97/82/01/1042978201.db2.gz MENLYPVSLIDOKQ-CYBMUJFWSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nc(C(C)C)ns3)C2)n1 ZINC000931749709 1042978203 /nfs/dbraw/zinc/97/82/03/1042978203.db2.gz MENLYPVSLIDOKQ-CYBMUJFWSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1 ZINC000663574627 1043009807 /nfs/dbraw/zinc/00/98/07/1043009807.db2.gz RFVLJZYYUGWQCP-MRXNPFEDSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1 ZINC000663574627 1043009811 /nfs/dbraw/zinc/00/98/11/1043009811.db2.gz RFVLJZYYUGWQCP-MRXNPFEDSA-N 1 2 340.471 3.618 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985798 1043024238 /nfs/dbraw/zinc/02/42/38/1043024238.db2.gz KTLHHCIKSNPCHR-OAHLLOKOSA-N 1 2 332.407 3.533 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759965760 1043037373 /nfs/dbraw/zinc/03/73/73/1043037373.db2.gz IBLBRUJSJCRWRB-NSHDSACASA-N 1 2 339.336 3.521 20 0 EHADLO CCc1nc(CN2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)cs1 ZINC000512050524 1043043593 /nfs/dbraw/zinc/04/35/93/1043043593.db2.gz CLJOCSOFRPXLLL-ONEGZZNKSA-N 1 2 345.487 3.676 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC000344036828 1043140155 /nfs/dbraw/zinc/14/01/55/1043140155.db2.gz SYLFRVFXUKPXBH-KRWDZBQOSA-N 1 2 348.450 3.746 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC2CCC1CC2 ZINC000432427456 1043190658 /nfs/dbraw/zinc/19/06/58/1043190658.db2.gz YNUDPPNUXXQVBX-ZBCRRDGASA-N 1 2 333.501 3.894 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2CCC)cc1OC ZINC000279082562 1043323517 /nfs/dbraw/zinc/32/35/17/1043323517.db2.gz MDXYTXHQUFSHFH-HNNXBMFYSA-N 1 2 346.475 3.726 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)n1 ZINC000344147856 1043331372 /nfs/dbraw/zinc/33/13/72/1043331372.db2.gz RFQSTAGEGSIEQI-RYUDHWBXSA-N 1 2 329.375 3.920 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)C1CC1 ZINC000606449666 1043447616 /nfs/dbraw/zinc/44/76/16/1043447616.db2.gz AOZGIZSGNLQUKB-ZIAGYGMSSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)C1CC1 ZINC000606449666 1043447620 /nfs/dbraw/zinc/44/76/20/1043447620.db2.gz AOZGIZSGNLQUKB-ZIAGYGMSSA-N 1 2 330.447 3.534 20 0 EHADLO CC(C)COc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344227624 1043466657 /nfs/dbraw/zinc/46/66/57/1043466657.db2.gz OXEKEMFRCUFQOG-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000344236296 1043498029 /nfs/dbraw/zinc/49/80/29/1043498029.db2.gz JWDRUHOITZTDJX-ZDUSSCGKSA-N 1 2 344.405 3.786 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000344236296 1043498031 /nfs/dbraw/zinc/49/80/31/1043498031.db2.gz JWDRUHOITZTDJX-ZDUSSCGKSA-N 1 2 344.405 3.786 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@@H+]3CCCc4occc4C3)nc(N)c2c1C ZINC000344237814 1043500408 /nfs/dbraw/zinc/50/04/08/1043500408.db2.gz OSLLSVPKLBGXRX-LLVKDONJSA-N 1 2 342.468 3.993 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@H+]3CCCc4occc4C3)nc(N)c2c1C ZINC000344237814 1043500418 /nfs/dbraw/zinc/50/04/18/1043500418.db2.gz OSLLSVPKLBGXRX-LLVKDONJSA-N 1 2 342.468 3.993 20 0 EHADLO O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344237378 1043500973 /nfs/dbraw/zinc/50/09/73/1043500973.db2.gz OCHKFJIHNSPEEB-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cn1c2ccccc2nc1-c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000344243742 1043518202 /nfs/dbraw/zinc/51/82/02/1043518202.db2.gz VTAHWBPXDBBIQJ-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO Brc1cnc(COc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000432496511 1043524988 /nfs/dbraw/zinc/52/49/88/1043524988.db2.gz LPPAZJVLDQBMQL-UHFFFAOYSA-N 1 2 336.214 3.670 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CSc3ccccc32)c1 ZINC000344257661 1043536469 /nfs/dbraw/zinc/53/64/69/1043536469.db2.gz COSYDIWNMYXBJC-INIZCTEOSA-N 1 2 335.432 3.758 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000344357063 1043721662 /nfs/dbraw/zinc/72/16/62/1043721662.db2.gz SXYCCGQTVZFOAQ-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000153277649 1043735962 /nfs/dbraw/zinc/73/59/62/1043735962.db2.gz FWTROOZZQAMWHR-OXJNMPFZSA-N 1 2 348.450 3.829 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C)c1C ZINC000007681080 1043748790 /nfs/dbraw/zinc/74/87/90/1043748790.db2.gz JJJVZGYTGJDFGK-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)c1C ZINC000007681080 1043748799 /nfs/dbraw/zinc/74/87/99/1043748799.db2.gz JJJVZGYTGJDFGK-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CCc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663714579 1043788595 /nfs/dbraw/zinc/78/85/95/1043788595.db2.gz XKUVZVZAXJOTED-LPHOPBHVSA-N 1 2 347.466 3.990 20 0 EHADLO Cc1cc(NC2CCN(c3nccs3)CC2)nc(C2CCC2)[nH+]1 ZINC000893678271 1043820709 /nfs/dbraw/zinc/82/07/09/1043820709.db2.gz HZWIYVKRHQEYLS-UHFFFAOYSA-N 1 2 329.473 3.590 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)cc2[nH+]1 ZINC000344379999 1043853907 /nfs/dbraw/zinc/85/39/07/1043853907.db2.gz ZFTWFBSUGOXNAA-NSHDSACASA-N 1 2 339.370 3.858 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1Br ZINC001139730198 1043899227 /nfs/dbraw/zinc/89/92/27/1043899227.db2.gz IBYHUGXHOWSNPV-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1Br ZINC001139730198 1043899244 /nfs/dbraw/zinc/89/92/44/1043899244.db2.gz IBYHUGXHOWSNPV-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1noc(C)c1[C@@H](C)CNc1nc(C)[nH+]c(C)c1Br ZINC000663742543 1043901297 /nfs/dbraw/zinc/90/12/97/1043901297.db2.gz PHAVNMDQJUDTQK-ZETCQYMHSA-N 1 2 339.237 3.676 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000279326417 1043939566 /nfs/dbraw/zinc/93/95/66/1043939566.db2.gz CHSOKPYUJWEGKQ-UHFFFAOYSA-N 1 2 337.345 3.557 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)oc1C ZINC000279382930 1044016600 /nfs/dbraw/zinc/01/66/00/1044016600.db2.gz JHDGUUPHNOUTHD-UHFFFAOYSA-N 1 2 329.730 3.596 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(C)ccc1OC ZINC000279416802 1044057488 /nfs/dbraw/zinc/05/74/88/1044057488.db2.gz FJABZXYEIMCRPC-SFHVURJKSA-N 1 2 336.439 3.825 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccccc3F)n2)c1 ZINC000279432322 1044080305 /nfs/dbraw/zinc/08/03/05/1044080305.db2.gz GRVVODHGVWZYIV-QWHCGFSZSA-N 1 2 325.391 3.726 20 0 EHADLO CCOc1cc(C(=O)Nc2cc[nH+]c(C)c2)cc(OCC)c1OCC ZINC000010163049 1044111591 /nfs/dbraw/zinc/11/15/91/1044111591.db2.gz HHNGOONGZVFFCK-UHFFFAOYSA-N 1 2 344.411 3.838 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)s1 ZINC000051063322 1044364997 /nfs/dbraw/zinc/36/49/97/1044364997.db2.gz NDCGIPZPQRLDHD-INIZCTEOSA-N 1 2 331.485 3.700 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)s1 ZINC000051063322 1044365012 /nfs/dbraw/zinc/36/50/12/1044365012.db2.gz NDCGIPZPQRLDHD-INIZCTEOSA-N 1 2 331.485 3.700 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2C1 ZINC000344789222 1044420722 /nfs/dbraw/zinc/42/07/22/1044420722.db2.gz ORWNFWLJFQEYRR-UHFFFAOYSA-N 1 2 339.420 3.643 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2C1 ZINC000344789222 1044420727 /nfs/dbraw/zinc/42/07/27/1044420727.db2.gz ORWNFWLJFQEYRR-UHFFFAOYSA-N 1 2 339.420 3.643 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000432598534 1044445714 /nfs/dbraw/zinc/44/57/14/1044445714.db2.gz CEAVKDUECUQYDD-MRXNPFEDSA-N 1 2 346.519 3.542 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000112007946 1044576582 /nfs/dbraw/zinc/57/65/82/1044576582.db2.gz AMFMEGPZKOWCON-QGZVFWFLSA-N 1 2 349.434 3.779 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(Br)cn1 ZINC000279797797 1044666103 /nfs/dbraw/zinc/66/61/03/1044666103.db2.gz NACMJLYJROETJV-NSHDSACASA-N 1 2 345.244 3.582 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000500465610 1044878693 /nfs/dbraw/zinc/87/86/93/1044878693.db2.gz VRRQPCPAKCZQGV-KUHUBIRLSA-N 1 2 338.842 3.946 20 0 EHADLO CCCCOCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000620278269 1125538471 /nfs/dbraw/zinc/53/84/71/1125538471.db2.gz CEGXUMGUFOXBOM-INIZCTEOSA-N 1 2 342.277 3.639 20 0 EHADLO CCCCOCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000620278269 1125538476 /nfs/dbraw/zinc/53/84/76/1125538476.db2.gz CEGXUMGUFOXBOM-INIZCTEOSA-N 1 2 342.277 3.639 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000620409616 1125567163 /nfs/dbraw/zinc/56/71/63/1125567163.db2.gz DISDLPYKLFHPIS-NSHDSACASA-N 1 2 326.227 3.848 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000620409210 1125569145 /nfs/dbraw/zinc/56/91/45/1125569145.db2.gz DYAJIIYJXRCEQI-UHFFFAOYSA-N 1 2 331.725 3.974 20 0 EHADLO Cc1c(C[N@@H+](C)CC(=O)N(C)c2nccs2)oc2c1cccc2C ZINC000649819234 1125619200 /nfs/dbraw/zinc/61/92/00/1125619200.db2.gz PTPOODZLUFOZFT-UHFFFAOYSA-N 1 2 343.452 3.601 20 0 EHADLO Cc1c(C[N@H+](C)CC(=O)N(C)c2nccs2)oc2c1cccc2C ZINC000649819234 1125619205 /nfs/dbraw/zinc/61/92/05/1125619205.db2.gz PTPOODZLUFOZFT-UHFFFAOYSA-N 1 2 343.452 3.601 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCc4c(C)cccc43)[nH+]c12 ZINC000620676847 1125631215 /nfs/dbraw/zinc/63/12/15/1125631215.db2.gz WLOFCJSTSFMPPV-IBGZPJMESA-N 1 2 333.435 3.687 20 0 EHADLO CC(C)C[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000153706997 1125651966 /nfs/dbraw/zinc/65/19/66/1125651966.db2.gz GIBDLDIKTSGLDL-BXUZGUMPSA-N 1 2 326.366 3.937 20 0 EHADLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000154818514 1125757810 /nfs/dbraw/zinc/75/78/10/1125757810.db2.gz HUOCOVBGBOCBBY-MRXNPFEDSA-N 1 2 346.906 3.569 20 0 EHADLO CCc1cnccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000154834410 1125759401 /nfs/dbraw/zinc/75/94/01/1125759401.db2.gz XCCUYFGWURPVJP-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cnccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000154834410 1125759407 /nfs/dbraw/zinc/75/94/07/1125759407.db2.gz XCCUYFGWURPVJP-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO Cc1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)sc1C ZINC000622546294 1126715948 /nfs/dbraw/zinc/71/59/48/1126715948.db2.gz PWNRENJEGZKCIC-UHFFFAOYSA-N 1 2 348.899 3.806 20 0 EHADLO Cc1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)sc1C ZINC000622546294 1126715949 /nfs/dbraw/zinc/71/59/49/1126715949.db2.gz PWNRENJEGZKCIC-UHFFFAOYSA-N 1 2 348.899 3.806 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC2CCCC2)[C@@H](C)C1 ZINC000622581997 1126724227 /nfs/dbraw/zinc/72/42/27/1126724227.db2.gz HYISDHYRWBMNMB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC2CCCC2)[C@@H](C)C1 ZINC000622581997 1126724230 /nfs/dbraw/zinc/72/42/30/1126724230.db2.gz HYISDHYRWBMNMB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2C1 ZINC000171346031 1126763036 /nfs/dbraw/zinc/76/30/36/1126763036.db2.gz GZLBCPDYTOEARS-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2C1 ZINC000171346031 1126763040 /nfs/dbraw/zinc/76/30/40/1126763040.db2.gz GZLBCPDYTOEARS-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000171374105 1126764312 /nfs/dbraw/zinc/76/43/12/1126764312.db2.gz ITPVFYFEHWYLND-MRXNPFEDSA-N 1 2 326.419 3.871 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000171374105 1126764315 /nfs/dbraw/zinc/76/43/15/1126764315.db2.gz ITPVFYFEHWYLND-MRXNPFEDSA-N 1 2 326.419 3.871 20 0 EHADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622836879 1126794809 /nfs/dbraw/zinc/79/48/09/1126794809.db2.gz SMACFXJGWLWIRR-WMZOPIPTSA-N 1 2 327.428 3.547 20 0 EHADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622836879 1126794812 /nfs/dbraw/zinc/79/48/12/1126794812.db2.gz SMACFXJGWLWIRR-WMZOPIPTSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000172588544 1126800151 /nfs/dbraw/zinc/80/01/51/1126800151.db2.gz UCYVIHQAXQDQJH-INIZCTEOSA-N 1 2 340.492 3.653 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000172588544 1126800154 /nfs/dbraw/zinc/80/01/54/1126800154.db2.gz UCYVIHQAXQDQJH-INIZCTEOSA-N 1 2 340.492 3.653 20 0 EHADLO Brc1cncc(Br)c1CNc1cccc[nH+]1 ZINC000336686929 1126802739 /nfs/dbraw/zinc/80/27/39/1126802739.db2.gz UUJBBULAGBDARK-UHFFFAOYSA-N 1 2 343.022 3.614 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000336875988 1126813835 /nfs/dbraw/zinc/81/38/35/1126813835.db2.gz ONNTVAAGDMISPQ-OAHLLOKOSA-N 1 2 333.398 3.524 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000336875988 1126813836 /nfs/dbraw/zinc/81/38/36/1126813836.db2.gz ONNTVAAGDMISPQ-OAHLLOKOSA-N 1 2 333.398 3.524 20 0 EHADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000172864557 1126819527 /nfs/dbraw/zinc/81/95/27/1126819527.db2.gz QKBJMUSHWJAAMH-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000172864557 1126819530 /nfs/dbraw/zinc/81/95/30/1126819530.db2.gz QKBJMUSHWJAAMH-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc4c(c3)CCC=C4)[nH+]c12 ZINC000671281122 1126831288 /nfs/dbraw/zinc/83/12/88/1126831288.db2.gz RMDRCUGAISRMNN-UHFFFAOYSA-N 1 2 331.419 3.575 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)o1 ZINC000174478456 1126853247 /nfs/dbraw/zinc/85/32/47/1126853247.db2.gz YVJWVBDZRIYZMH-UGSOOPFHSA-N 1 2 345.439 3.651 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671305221 1126898210 /nfs/dbraw/zinc/89/82/10/1126898210.db2.gz JIQITRVENKLWMN-LBPRGKRZSA-N 1 2 343.324 3.758 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258061 1126903687 /nfs/dbraw/zinc/90/36/87/1126903687.db2.gz GUZCVPAOUIFOQO-CYBMUJFWSA-N 1 2 346.377 3.828 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258061 1126903689 /nfs/dbraw/zinc/90/36/89/1126903689.db2.gz GUZCVPAOUIFOQO-CYBMUJFWSA-N 1 2 346.377 3.828 20 0 EHADLO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000185482262 1126906277 /nfs/dbraw/zinc/90/62/77/1126906277.db2.gz PXBFMUZKUVWXRE-GXSJLCMTSA-N 1 2 348.256 3.742 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623300486 1126910608 /nfs/dbraw/zinc/91/06/08/1126910608.db2.gz SJFMRMWDLXHXJO-HNNXBMFYSA-N 1 2 337.448 3.665 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1CCCCCCC1 ZINC000763899533 1126930177 /nfs/dbraw/zinc/93/01/77/1126930177.db2.gz FXABOFMMLZBVBV-UHFFFAOYSA-N 1 2 325.456 3.703 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cc4ccccc4[nH]c3=O)co2)cc1 ZINC000072927087 1126935853 /nfs/dbraw/zinc/93/58/53/1126935853.db2.gz MGQXMPZDDGPJAZ-UHFFFAOYSA-N 1 2 345.402 3.781 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1OC1CC1 ZINC000623446277 1126957424 /nfs/dbraw/zinc/95/74/24/1126957424.db2.gz YDQLFRWTOWGQFB-UHFFFAOYSA-N 1 2 347.484 3.675 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000654265428 1126980438 /nfs/dbraw/zinc/98/04/38/1126980438.db2.gz VHDVICCMLOXXOG-MOPGFXCFSA-N 1 2 325.456 3.754 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623540892 1126980831 /nfs/dbraw/zinc/98/08/31/1126980831.db2.gz NCIATEXQNZTFQE-LLVKDONJSA-N 1 2 345.340 3.834 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccncc3Cl)c2)[nH+]c1C ZINC000073050276 1126992216 /nfs/dbraw/zinc/99/22/16/1126992216.db2.gz CYSACYMLIRHUDK-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO CC(C)COc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178182899 1127011876 /nfs/dbraw/zinc/01/18/76/1127011876.db2.gz SQEGAGQCICWTRS-UHFFFAOYSA-N 1 2 338.411 3.691 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000179924353 1127100805 /nfs/dbraw/zinc/10/08/05/1127100805.db2.gz SGRRUNMUYZQADE-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)[nH]c1C ZINC000623799059 1127180635 /nfs/dbraw/zinc/18/06/35/1127180635.db2.gz MZWBRXOXQGGJKL-CQSZACIVSA-N 1 2 328.243 3.547 20 0 EHADLO Cc1[nH]c(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000623799059 1127180639 /nfs/dbraw/zinc/18/06/39/1127180639.db2.gz MZWBRXOXQGGJKL-CQSZACIVSA-N 1 2 328.243 3.547 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000623844264 1127199307 /nfs/dbraw/zinc/19/93/07/1127199307.db2.gz NWUBRDRSCYNGAN-UHFFFAOYSA-N 1 2 345.315 3.886 20 0 EHADLO FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623978630 1127226914 /nfs/dbraw/zinc/22/69/14/1127226914.db2.gz ZVNZGULCLHLNPS-LLVKDONJSA-N 1 2 343.374 3.646 20 0 EHADLO Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CCCc2scnc21 ZINC000623996659 1127229173 /nfs/dbraw/zinc/22/91/73/1127229173.db2.gz NMWDOTYPLLQUDX-AWEZNQCLSA-N 1 2 328.416 3.635 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1Cl ZINC000624017750 1127233743 /nfs/dbraw/zinc/23/37/43/1127233743.db2.gz DVWJICOAFIZERI-GZMMTYOYSA-N 1 2 348.661 3.765 20 0 EHADLO c1cc2c(s1)CN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)CC2 ZINC000624072042 1127245644 /nfs/dbraw/zinc/24/56/44/1127245644.db2.gz SGTVRVDBYYXNLZ-UHFFFAOYSA-N 1 2 334.448 3.621 20 0 EHADLO CCO[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000624159751 1127260933 /nfs/dbraw/zinc/26/09/33/1127260933.db2.gz ONMMCDSYJHJBEU-GOSISDBHSA-N 1 2 339.439 3.640 20 0 EHADLO CCC1(CC)CC[NH+](Cn2c(=S)nc3nc(C)cc(C)n32)CC1 ZINC000186111926 1127275520 /nfs/dbraw/zinc/27/55/20/1127275520.db2.gz RLNZGXVSTJHJIF-UHFFFAOYSA-N 1 2 333.505 3.737 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](CCCOCc2ccccc2)CCO1 ZINC000182317506 1127323129 /nfs/dbraw/zinc/32/31/29/1127323129.db2.gz WSEIDLWYWDEWJH-FQEVSTJZSA-N 1 2 329.415 3.806 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](CCCOCc2ccccc2)CCO1 ZINC000182317506 1127323132 /nfs/dbraw/zinc/32/31/32/1127323132.db2.gz WSEIDLWYWDEWJH-FQEVSTJZSA-N 1 2 329.415 3.806 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182886861 1127352434 /nfs/dbraw/zinc/35/24/34/1127352434.db2.gz ISTDXXTXPXJCTE-ZDUSSCGKSA-N 1 2 346.500 3.980 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1 ZINC000183066749 1127361796 /nfs/dbraw/zinc/36/17/96/1127361796.db2.gz WWVJKMYDNBIKOJ-IQMFZBJNSA-N 1 2 346.477 3.613 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000183462456 1127377532 /nfs/dbraw/zinc/37/75/32/1127377532.db2.gz BRAUYAWXVQLQSG-FQEVSTJZSA-N 1 2 334.419 3.909 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccco1 ZINC000184181119 1127397121 /nfs/dbraw/zinc/39/71/21/1127397121.db2.gz BVFUOAMBMAOCIR-WMLDXEAASA-N 1 2 348.418 3.749 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000184245080 1127398732 /nfs/dbraw/zinc/39/87/32/1127398732.db2.gz WNHKNUWCYIXEGB-GJZGRUSLSA-N 1 2 331.485 3.596 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C1CC1 ZINC000184476373 1127406085 /nfs/dbraw/zinc/40/60/85/1127406085.db2.gz NMEPKCNQHCRHLT-ZDUSSCGKSA-N 1 2 337.533 3.738 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1nc(-c2ccccc2)cs1 ZINC000184526175 1127407890 /nfs/dbraw/zinc/40/78/90/1127407890.db2.gz HGHUJOQYOHPLNR-NSHDSACASA-N 1 2 344.465 3.556 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184556013 1127408513 /nfs/dbraw/zinc/40/85/13/1127408513.db2.gz NGUZEAOGODHJCW-YOEHRIQHSA-N 1 2 344.455 3.709 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000184827240 1127413802 /nfs/dbraw/zinc/41/38/02/1127413802.db2.gz WWYBQMIFMNLIDO-GUYCJALGSA-N 1 2 348.418 3.594 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185040750 1127418844 /nfs/dbraw/zinc/41/88/44/1127418844.db2.gz UUWBYTPYOGPUTC-WBVHZDCISA-N 1 2 331.485 3.697 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1nc2ccc(C)cc2s1)c1nccs1 ZINC000185058357 1127419286 /nfs/dbraw/zinc/41/92/86/1127419286.db2.gz OMSDAEFVSPJXDZ-LLVKDONJSA-N 1 2 346.481 3.741 20 0 EHADLO Cc1cccc(COc2cccc(NC(=O)CCc3c[nH+]cn3C)c2)c1 ZINC000193232627 1127435305 /nfs/dbraw/zinc/43/53/05/1127435305.db2.gz LJYRPWKNUUYASN-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000193527388 1127439143 /nfs/dbraw/zinc/43/91/43/1127439143.db2.gz GFERHBKETUIRTD-HNNXBMFYSA-N 1 2 347.256 3.807 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000193527388 1127439145 /nfs/dbraw/zinc/43/91/45/1127439145.db2.gz GFERHBKETUIRTD-HNNXBMFYSA-N 1 2 347.256 3.807 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)c(F)cc2C)c(C)c[nH+]1 ZINC001127733926 1127453975 /nfs/dbraw/zinc/45/39/75/1127453975.db2.gz QTUKQGWBDMDKKC-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO COc1cccc(C)c1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000195029542 1127471824 /nfs/dbraw/zinc/47/18/24/1127471824.db2.gz IYJIJGJGPNYCPO-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2OC)c1Cl ZINC000381557136 1127487750 /nfs/dbraw/zinc/48/77/50/1127487750.db2.gz VTLGBZHZCBNIKT-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2OC)c1Cl ZINC000381557136 1127487752 /nfs/dbraw/zinc/48/77/52/1127487752.db2.gz VTLGBZHZCBNIKT-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000764920110 1127552527 /nfs/dbraw/zinc/55/25/27/1127552527.db2.gz LEZVOJVFSMKTDI-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000764920110 1127552528 /nfs/dbraw/zinc/55/25/28/1127552528.db2.gz LEZVOJVFSMKTDI-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000765057819 1127568269 /nfs/dbraw/zinc/56/82/69/1127568269.db2.gz VKLTYSTWWLMCNO-SFHVURJKSA-N 1 2 346.268 3.758 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000765057819 1127568273 /nfs/dbraw/zinc/56/82/73/1127568273.db2.gz VKLTYSTWWLMCNO-SFHVURJKSA-N 1 2 346.268 3.758 20 0 EHADLO FC(F)C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000765147916 1127578999 /nfs/dbraw/zinc/57/89/99/1127578999.db2.gz AXBGSOBIQKQWMJ-UHFFFAOYSA-N 1 2 344.203 3.733 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001127836201 1127583496 /nfs/dbraw/zinc/58/34/96/1127583496.db2.gz CSRPRYYDGMGPTL-UHFFFAOYSA-N 1 2 340.467 3.978 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000765323194 1127597199 /nfs/dbraw/zinc/59/71/99/1127597199.db2.gz QTWRMYRYOVUOOB-KXPUMZMLSA-N 1 2 326.465 3.667 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000010107143 1127628343 /nfs/dbraw/zinc/62/83/43/1127628343.db2.gz BLDUGBXARNDBLW-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000010107143 1127628344 /nfs/dbraw/zinc/62/83/44/1127628344.db2.gz BLDUGBXARNDBLW-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000016420930 1127662332 /nfs/dbraw/zinc/66/23/32/1127662332.db2.gz WPHIAPPFJKPYMY-CYBMUJFWSA-N 1 2 344.505 3.806 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000016420930 1127662334 /nfs/dbraw/zinc/66/23/34/1127662334.db2.gz WPHIAPPFJKPYMY-CYBMUJFWSA-N 1 2 344.505 3.806 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000654666085 1127673997 /nfs/dbraw/zinc/67/39/97/1127673997.db2.gz DTBCFYWQKMOELB-AWEZNQCLSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000654666085 1127674000 /nfs/dbraw/zinc/67/40/00/1127674000.db2.gz DTBCFYWQKMOELB-AWEZNQCLSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000654666086 1127674180 /nfs/dbraw/zinc/67/41/80/1127674180.db2.gz DTBCFYWQKMOELB-CQSZACIVSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000654666086 1127674182 /nfs/dbraw/zinc/67/41/82/1127674182.db2.gz DTBCFYWQKMOELB-CQSZACIVSA-N 1 2 326.444 3.972 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000019537896 1127677374 /nfs/dbraw/zinc/67/73/74/1127677374.db2.gz LXFXLAGIBWMQGL-UHFFFAOYSA-N 1 2 345.493 3.557 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000019537896 1127677377 /nfs/dbraw/zinc/67/73/77/1127677377.db2.gz LXFXLAGIBWMQGL-UHFFFAOYSA-N 1 2 345.493 3.557 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc(C(F)(F)F)c1 ZINC000765626473 1127712763 /nfs/dbraw/zinc/71/27/63/1127712763.db2.gz IMYUIUMDOOHERU-LBPRGKRZSA-N 1 2 347.768 3.570 20 0 EHADLO C/C=C(/C=C/C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)CC ZINC000765662561 1127720932 /nfs/dbraw/zinc/72/09/32/1127720932.db2.gz SIDJQCFGPDJVCZ-DHCRQQEMSA-N 1 2 341.499 3.750 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000671585747 1127727425 /nfs/dbraw/zinc/72/74/25/1127727425.db2.gz CKEMBAZZQYHCEW-UHFFFAOYSA-N 1 2 333.435 3.939 20 0 EHADLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000325493116 1127728547 /nfs/dbraw/zinc/72/85/47/1127728547.db2.gz FSVJJKMWABKICF-UHFFFAOYSA-N 1 2 349.793 3.710 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccc(F)cc2Br)c1Cl ZINC000921582841 1127757176 /nfs/dbraw/zinc/75/71/76/1127757176.db2.gz JJNKNWGHGMEBSG-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289332 1127787150 /nfs/dbraw/zinc/78/71/50/1127787150.db2.gz JKFZPOZIYPQCHI-IAQYHMDHSA-N 1 2 342.270 3.984 20 0 EHADLO Cc1ccsc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028677602 1127790248 /nfs/dbraw/zinc/79/02/48/1127790248.db2.gz AGMMWVCVJWHKIG-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1ccsc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028677602 1127790249 /nfs/dbraw/zinc/79/02/49/1127790249.db2.gz AGMMWVCVJWHKIG-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1nc2sc3c(c2c(NCCNc2cccc[nH+]2)n1)CCCC3 ZINC000029845308 1127809421 /nfs/dbraw/zinc/80/94/21/1127809421.db2.gz UUEBDJOFFVCVCU-UHFFFAOYSA-N 1 2 339.468 3.798 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-n2cccc2)c1 ZINC000029916325 1127811281 /nfs/dbraw/zinc/81/12/81/1127811281.db2.gz PEGBRRTUNDDPKR-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)Cc1ccco1 ZINC000030277269 1127817186 /nfs/dbraw/zinc/81/71/86/1127817186.db2.gz BTPXLWUQNVJZBW-UONOGXRCSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)Cc1ccco1 ZINC000030277269 1127817190 /nfs/dbraw/zinc/81/71/90/1127817190.db2.gz BTPXLWUQNVJZBW-UONOGXRCSA-N 1 2 326.396 3.724 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)F)c1 ZINC000172237037 1127837629 /nfs/dbraw/zinc/83/76/29/1127837629.db2.gz HMSLGKNGMPBCGD-UHFFFAOYSA-N 1 2 346.377 3.709 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCC(C)CC2)C2CC2)o1 ZINC000042145786 1127886944 /nfs/dbraw/zinc/88/69/44/1127886944.db2.gz ZHYFSMPVKKJIMH-YJBOKZPZSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCC(C)CC2)C2CC2)o1 ZINC000042145786 1127886946 /nfs/dbraw/zinc/88/69/46/1127886946.db2.gz ZHYFSMPVKKJIMH-YJBOKZPZSA-N 1 2 330.472 3.626 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042534077 1127893333 /nfs/dbraw/zinc/89/33/33/1127893333.db2.gz PNOMBTAERXSTDL-KRWDZBQOSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352039 1127911535 /nfs/dbraw/zinc/91/15/35/1127911535.db2.gz FHXNJUZKVNFVJS-UHFFFAOYSA-N 1 2 339.226 3.672 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644288 1127923917 /nfs/dbraw/zinc/92/39/17/1127923917.db2.gz DBAQCURHLICZKA-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644288 1127923920 /nfs/dbraw/zinc/92/39/20/1127923920.db2.gz DBAQCURHLICZKA-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000044330535 1127934836 /nfs/dbraw/zinc/93/48/36/1127934836.db2.gz HUQDNRFNGAQEOF-LJQANCHMSA-N 1 2 340.492 3.512 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000044464875 1127937049 /nfs/dbraw/zinc/93/70/49/1127937049.db2.gz MTMCNYGEQQKIIN-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO O=C(CSc1ccc(F)c(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860249 1127962211 /nfs/dbraw/zinc/96/22/11/1127962211.db2.gz SWWVGGXHYDLCGZ-UHFFFAOYSA-N 1 2 345.374 3.881 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045776720 1127959822 /nfs/dbraw/zinc/95/98/22/1127959822.db2.gz ZMQLWAQLHXOAFQ-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859993 1127962162 /nfs/dbraw/zinc/96/21/62/1127962162.db2.gz IDGRGFGWXJJRKH-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO CCc1sc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000045959503 1127964873 /nfs/dbraw/zinc/96/48/73/1127964873.db2.gz NMEJFNDTWCBEQA-UHFFFAOYSA-N 1 2 339.464 3.794 20 0 EHADLO O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240682 1128004055 /nfs/dbraw/zinc/00/40/55/1128004055.db2.gz SSGNAQVEJCFVRT-HXUWFJFHSA-N 1 2 331.419 3.739 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056632837 1128025175 /nfs/dbraw/zinc/02/51/75/1128025175.db2.gz HWBKGEHJFCXRAA-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)cc(Cl)c1 ZINC000056533390 1128021941 /nfs/dbraw/zinc/02/19/41/1128021941.db2.gz RXIWXYPCGIGLRT-UHFFFAOYSA-N 1 2 327.215 3.792 20 0 EHADLO CCc1ccc(CN(C(=O)NCCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000057376360 1128045801 /nfs/dbraw/zinc/04/58/01/1128045801.db2.gz PDCHFDGCINGOGO-UHFFFAOYSA-N 1 2 340.471 3.600 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nccn1CC(F)(F)F ZINC000057844423 1128059209 /nfs/dbraw/zinc/05/92/09/1128059209.db2.gz DPWDXAUOINYZEM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nccn1CC(F)(F)F ZINC000057844423 1128059214 /nfs/dbraw/zinc/05/92/14/1128059214.db2.gz DPWDXAUOINYZEM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2coc(-c3cccc(F)c3)n2)ccn1 ZINC000347546442 1128068277 /nfs/dbraw/zinc/06/82/77/1128068277.db2.gz WNUCJRXNIRVJIG-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO COc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000058765091 1128079212 /nfs/dbraw/zinc/07/92/12/1128079212.db2.gz KABDYMYQKMYAKA-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC000058765091 1128079216 /nfs/dbraw/zinc/07/92/16/1128079216.db2.gz KABDYMYQKMYAKA-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2ccccc2C)c1C ZINC000058959044 1128086443 /nfs/dbraw/zinc/08/64/43/1128086443.db2.gz RGEBJSXFXAXUAK-UHFFFAOYSA-N 1 2 340.467 3.952 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)CCC3CCCCC3)c2)CC1 ZINC000060030182 1128092928 /nfs/dbraw/zinc/09/29/28/1128092928.db2.gz GCALWNZZLLDRQQ-UHFFFAOYSA-N 1 2 343.515 3.733 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000065603548 1128195925 /nfs/dbraw/zinc/19/59/25/1128195925.db2.gz QSOXXGRMNGFXKF-IBGZPJMESA-N 1 2 328.456 3.576 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000065603548 1128195926 /nfs/dbraw/zinc/19/59/26/1128195926.db2.gz QSOXXGRMNGFXKF-IBGZPJMESA-N 1 2 328.456 3.576 20 0 EHADLO Cn1cc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000065851494 1128204445 /nfs/dbraw/zinc/20/44/45/1128204445.db2.gz UHWSQMQYGKUHHV-UHFFFAOYSA-N 1 2 330.391 3.545 20 0 EHADLO O=C(C[C@@H]1CCCc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000068422047 1128266025 /nfs/dbraw/zinc/26/60/25/1128266025.db2.gz MLXKRYLBJNQCJA-SFHVURJKSA-N 1 2 337.467 3.900 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000066155480 1128211769 /nfs/dbraw/zinc/21/17/69/1128211769.db2.gz GQWJPBSPJKBZAG-CYBMUJFWSA-N 1 2 339.892 3.625 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000066155480 1128211773 /nfs/dbraw/zinc/21/17/73/1128211773.db2.gz GQWJPBSPJKBZAG-CYBMUJFWSA-N 1 2 339.892 3.625 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2c1C ZINC000068420239 1128266171 /nfs/dbraw/zinc/26/61/71/1128266171.db2.gz RJKCIIBROFOUFS-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000654893816 1128233111 /nfs/dbraw/zinc/23/31/11/1128233111.db2.gz VBHAXDSGTLVURP-KSSFIOAISA-N 1 2 347.409 3.594 20 0 EHADLO CC(C)Oc1cccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000068853766 1128277218 /nfs/dbraw/zinc/27/72/18/1128277218.db2.gz NYBZSGYSGNBUOL-UHFFFAOYSA-N 1 2 335.407 3.841 20 0 EHADLO CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000070032833 1128294295 /nfs/dbraw/zinc/29/42/95/1128294295.db2.gz RSWRPOBFLUCRLI-GOSISDBHSA-N 1 2 344.455 3.579 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000671773443 1128299963 /nfs/dbraw/zinc/29/99/63/1128299963.db2.gz VTFIEEIZLIDNIH-WDEREUQCSA-N 1 2 343.374 3.687 20 0 EHADLO CCO[C@@H](CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1=CCCC1 ZINC000073056902 1128315078 /nfs/dbraw/zinc/31/50/78/1128315078.db2.gz QZTNVJAPZVMJSW-SFHVURJKSA-N 1 2 346.471 3.571 20 0 EHADLO O=C(CCCc1cccs1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000073171674 1128318275 /nfs/dbraw/zinc/31/82/75/1128318275.db2.gz ZBXMRHQUBPEOLA-UHFFFAOYSA-N 1 2 339.464 3.632 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000089356533 1128415567 /nfs/dbraw/zinc/41/55/67/1128415567.db2.gz ZUCJLZVTUNTSDX-RTBURBONSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2[nH+]1 ZINC000338668434 1128383634 /nfs/dbraw/zinc/38/36/34/1128383634.db2.gz HMJAKURHRSZXGS-UHFFFAOYSA-N 1 2 333.750 3.681 20 0 EHADLO FCC[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000624652224 1128418449 /nfs/dbraw/zinc/41/84/49/1128418449.db2.gz XHVRWXIVAZHWOE-LLVKDONJSA-N 1 2 339.208 3.562 20 0 EHADLO Cc1cc(C2(C(=O)Nc3ccc(-c4[nH]c(C)c(C)[nH+]4)cc3)CC2)on1 ZINC000921655937 1128437340 /nfs/dbraw/zinc/43/73/40/1128437340.db2.gz USXMXKSGRDUIAC-UHFFFAOYSA-N 1 2 336.395 3.660 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)c4cccn43)cc2)[nH+]c1C ZINC000921659602 1128439169 /nfs/dbraw/zinc/43/91/69/1128439169.db2.gz NYZRFUWKALKKIQ-KRWDZBQOSA-N 1 2 348.406 3.651 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)cc2)[nH+]c1C ZINC000921661929 1128441030 /nfs/dbraw/zinc/44/10/30/1128441030.db2.gz JVKCOLMSARGIHX-NHYWBVRUSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@]3(C)Br)cc2)[nH+]c1C ZINC000921668623 1128448567 /nfs/dbraw/zinc/44/85/67/1128448567.db2.gz HUPOIBMASFDTSV-CZUORRHYSA-N 1 2 348.244 3.806 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000903201035 1128463377 /nfs/dbraw/zinc/46/33/77/1128463377.db2.gz WFVYQNSJQUEPMF-DDTOSNHZSA-N 1 2 332.835 3.613 20 0 EHADLO CCC[C@H]([NH2+]Cc1ncc(Br)cn1)c1ccsc1 ZINC000903320604 1128468176 /nfs/dbraw/zinc/46/81/76/1128468176.db2.gz LUYKGGRJGYSTKV-LBPRGKRZSA-N 1 2 326.263 3.932 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cccs3)CC2)n1 ZINC000508896192 1128645649 /nfs/dbraw/zinc/64/56/49/1128645649.db2.gz STPUEMZMFZJANJ-UHFFFAOYSA-N 1 2 331.485 3.643 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1nc(C2CC2)no1 ZINC000921741331 1128707075 /nfs/dbraw/zinc/70/70/75/1128707075.db2.gz RWMLOXMDCXZWKP-SJKOYZFVSA-N 1 2 327.428 3.757 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(Cl)c(OC)c1 ZINC001168667936 1128752530 /nfs/dbraw/zinc/75/25/30/1128752530.db2.gz VGHWVYPVAVXEJU-UHFFFAOYSA-N 1 2 347.842 3.566 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(Cl)c(OC)c1 ZINC001168667936 1128752535 /nfs/dbraw/zinc/75/25/35/1128752535.db2.gz VGHWVYPVAVXEJU-UHFFFAOYSA-N 1 2 347.842 3.566 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354670819 1128763155 /nfs/dbraw/zinc/76/31/55/1128763155.db2.gz LJYYPXNNYQGBOK-SNVBAGLBSA-N 1 2 338.238 3.795 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354670819 1128763158 /nfs/dbraw/zinc/76/31/58/1128763158.db2.gz LJYYPXNNYQGBOK-SNVBAGLBSA-N 1 2 338.238 3.795 20 0 EHADLO COc1cc(CNc2cc(C)c3[nH]ccc3[nH+]2)cc(OC)c1OC ZINC001168672960 1128775176 /nfs/dbraw/zinc/77/51/76/1128775176.db2.gz CMCDTYRRDOMQKS-UHFFFAOYSA-N 1 2 327.384 3.509 20 0 EHADLO CC[NH2+]Cc1noc(Cc2cccc(OCc3cccc(C)c3)c2)n1 ZINC000843141441 1128777131 /nfs/dbraw/zinc/77/71/31/1128777131.db2.gz OGZHRHMQIBLWBJ-UHFFFAOYSA-N 1 2 337.423 3.657 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(C)n1C1CCCCC1 ZINC000672154467 1128818775 /nfs/dbraw/zinc/81/87/75/1128818775.db2.gz MODLCQGLICONPE-MRXNPFEDSA-N 1 2 340.471 3.551 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)C1CCC(F)(F)CC1 ZINC000656228456 1128825515 /nfs/dbraw/zinc/82/55/15/1128825515.db2.gz QGLMWBKCKSQRLP-GFCCVEGCSA-N 1 2 342.459 3.656 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)C1CCC(F)(F)CC1 ZINC000656228456 1128825519 /nfs/dbraw/zinc/82/55/19/1128825519.db2.gz QGLMWBKCKSQRLP-GFCCVEGCSA-N 1 2 342.459 3.656 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000111292244 1128857353 /nfs/dbraw/zinc/85/73/53/1128857353.db2.gz HRASQIHPTXQENK-LBPRGKRZSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000111292244 1128857357 /nfs/dbraw/zinc/85/73/57/1128857357.db2.gz HRASQIHPTXQENK-LBPRGKRZSA-N 1 2 327.255 3.580 20 0 EHADLO c1cn(CCOc2ccccc2NCc2ccc3c(c2)CCCO3)c[nH+]1 ZINC000921881275 1128872298 /nfs/dbraw/zinc/87/22/98/1128872298.db2.gz QOIBUZJIKHYNEU-UHFFFAOYSA-N 1 2 349.434 3.899 20 0 EHADLO Fc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)s2)cc1 ZINC000450939723 1128876903 /nfs/dbraw/zinc/87/69/03/1128876903.db2.gz QRMPFXKULJGHHL-AWEZNQCLSA-N 1 2 333.432 3.598 20 0 EHADLO Fc1ccc(OC[C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)s2)cc1 ZINC000450939723 1128876909 /nfs/dbraw/zinc/87/69/09/1128876909.db2.gz QRMPFXKULJGHHL-AWEZNQCLSA-N 1 2 333.432 3.598 20 0 EHADLO C[C@H]1CC(C)(C)CN1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371318 1120042907 /nfs/dbraw/zinc/04/29/07/1120042907.db2.gz PDYANTZTNXIREV-ZDUSSCGKSA-N 1 2 326.444 3.953 20 0 EHADLO Cc1cc(C)c(/C=C/CNc2ccc(N3CCOCC3)c[nH+]2)cc1C ZINC001648864338 1120056626 /nfs/dbraw/zinc/05/66/26/1120056626.db2.gz JUZYTMWKXBCCNX-SNAWJCMRSA-N 1 2 337.467 3.969 20 0 EHADLO Cc1cc(Cl)c2ccccc2c1NC(=O)NCCc1cn(C)c[nH+]1 ZINC001670532060 1120082477 /nfs/dbraw/zinc/08/24/77/1120082477.db2.gz NJFKTHILWJGIPE-UHFFFAOYSA-N 1 2 342.830 3.899 20 0 EHADLO CC(C)c1ccc(C[C@@H](C)NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC001670621578 1120091345 /nfs/dbraw/zinc/09/13/45/1120091345.db2.gz WZAXXWZEHZILHR-MRXNPFEDSA-N 1 2 340.471 3.547 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c(C)[nH+]1 ZINC001670649530 1120095904 /nfs/dbraw/zinc/09/59/04/1120095904.db2.gz YCMJZQKONJLKFR-CYBMUJFWSA-N 1 2 325.412 3.824 20 0 EHADLO CCc1ccc(O)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000109813611 1120126379 /nfs/dbraw/zinc/12/63/79/1120126379.db2.gz VGLVGJDVGLLJSY-CQSZACIVSA-N 1 2 335.407 3.631 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110056384 1120133356 /nfs/dbraw/zinc/13/33/56/1120133356.db2.gz GEUUCHIPHPKROS-KRWDZBQOSA-N 1 2 347.821 3.867 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110056384 1120133358 /nfs/dbraw/zinc/13/33/58/1120133358.db2.gz GEUUCHIPHPKROS-KRWDZBQOSA-N 1 2 347.821 3.867 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687361104 1120176171 /nfs/dbraw/zinc/17/61/71/1120176171.db2.gz PKYPOCSNFYNENE-QRWLVFNGSA-N 1 2 335.451 3.502 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687361104 1120176172 /nfs/dbraw/zinc/17/61/72/1120176172.db2.gz PKYPOCSNFYNENE-QRWLVFNGSA-N 1 2 335.451 3.502 20 0 EHADLO Cn1c(Cl)nc(Cl)c1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121379695 1120180163 /nfs/dbraw/zinc/18/01/63/1120180163.db2.gz LQXGAMOAVZOJKN-UHFFFAOYSA-N 1 2 340.189 3.664 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc2cc(Br)cnc21 ZINC000227847899 1120187145 /nfs/dbraw/zinc/18/71/45/1120187145.db2.gz HLSGIDXBRDXKNG-UHFFFAOYSA-N 1 2 331.217 3.826 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000110190017 1120243940 /nfs/dbraw/zinc/24/39/40/1120243940.db2.gz BCKOTTNSSVHJRP-CQSZACIVSA-N 1 2 340.414 3.826 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000110190017 1120243944 /nfs/dbraw/zinc/24/39/44/1120243944.db2.gz BCKOTTNSSVHJRP-CQSZACIVSA-N 1 2 340.414 3.826 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C(C)C)n1 ZINC000168324687 1120311858 /nfs/dbraw/zinc/31/18/58/1120311858.db2.gz XMHPFYKBWBSSIS-ZDUSSCGKSA-N 1 2 329.322 3.605 20 0 EHADLO CC[C@@H](C)CN(C)c1nnc(C(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001708572025 1120320155 /nfs/dbraw/zinc/32/01/55/1120320155.db2.gz LNSUVQLSNGGLSI-CQSZACIVSA-N 1 2 345.491 3.510 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1c[nH+]cn1C ZINC000355271988 1128909980 /nfs/dbraw/zinc/90/99/80/1128909980.db2.gz UOEHWQNEFJVPNH-UHFFFAOYSA-N 1 2 343.471 3.501 20 0 EHADLO CC(C)c1ccc(-c2nc(C(=O)NCc3c[nH+]cn3C)cs2)cc1 ZINC000355296811 1128910166 /nfs/dbraw/zinc/91/01/66/1128910166.db2.gz SNMRKVMPAFJNNS-UHFFFAOYSA-N 1 2 340.452 3.597 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000185227752 1120404607 /nfs/dbraw/zinc/40/46/07/1120404607.db2.gz YLIZOTNDWXOJQN-OAHLLOKOSA-N 1 2 329.469 3.967 20 0 EHADLO Cc1cccn2c(CN3CCO[C@@H](c4cccc(Cl)c4)C3)c[nH+]c12 ZINC000185644316 1120422820 /nfs/dbraw/zinc/42/28/20/1120422820.db2.gz YXTLVZRDQPGEBS-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000185967690 1120437693 /nfs/dbraw/zinc/43/76/93/1120437693.db2.gz IAJUAASSFYIFLL-HKUYNNGSSA-N 1 2 343.515 3.973 20 0 EHADLO CC[C@H](C[N@H+](CC)[C@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000186616114 1120468914 /nfs/dbraw/zinc/46/89/14/1120468914.db2.gz RJRDEIFKUOPOSO-APWZRJJASA-N 1 2 326.440 3.811 20 0 EHADLO CC[C@H](C[N@@H+](CC)[C@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000186616114 1120468917 /nfs/dbraw/zinc/46/89/17/1120468917.db2.gz RJRDEIFKUOPOSO-APWZRJJASA-N 1 2 326.440 3.811 20 0 EHADLO CCCc1cccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000186808657 1120475977 /nfs/dbraw/zinc/47/59/77/1120475977.db2.gz HZSNKBYMNGUXEJ-UHFFFAOYSA-N 1 2 335.451 3.898 20 0 EHADLO CCCc1cccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000186808657 1120475981 /nfs/dbraw/zinc/47/59/81/1120475981.db2.gz HZSNKBYMNGUXEJ-UHFFFAOYSA-N 1 2 335.451 3.898 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)n1 ZINC000494337487 1120532726 /nfs/dbraw/zinc/53/27/26/1120532726.db2.gz DYCKJIPDFLJXLT-MRXNPFEDSA-N 1 2 329.473 3.625 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CC[C@@H]3CCCO3)CCO2)cc1Cl ZINC000189071239 1120533321 /nfs/dbraw/zinc/53/33/21/1120533321.db2.gz IRURBVVDSKSJLJ-XJKSGUPXSA-N 1 2 330.255 3.936 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCCO3)CCO2)cc1Cl ZINC000189071239 1120533324 /nfs/dbraw/zinc/53/33/24/1120533324.db2.gz IRURBVVDSKSJLJ-XJKSGUPXSA-N 1 2 330.255 3.936 20 0 EHADLO CCCc1csc(CNC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000494371652 1120544488 /nfs/dbraw/zinc/54/44/88/1120544488.db2.gz SWCQQPSIRDXPAP-INIZCTEOSA-N 1 2 333.501 3.924 20 0 EHADLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000190444091 1120638170 /nfs/dbraw/zinc/63/81/70/1120638170.db2.gz ROFFYVMKCARQJD-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000190444091 1120638174 /nfs/dbraw/zinc/63/81/74/1120638174.db2.gz ROFFYVMKCARQJD-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2nc3n(c2=S)CCCCC3)C1 ZINC000153108554 1120688317 /nfs/dbraw/zinc/68/83/17/1120688317.db2.gz XHBVEUBCVKTMBT-AWEZNQCLSA-N 1 2 340.562 3.706 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2nc3n(c2=S)CCCCC3)C1 ZINC000153108554 1120688321 /nfs/dbraw/zinc/68/83/21/1120688321.db2.gz XHBVEUBCVKTMBT-AWEZNQCLSA-N 1 2 340.562 3.706 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000494624924 1120704507 /nfs/dbraw/zinc/70/45/07/1120704507.db2.gz IOQSYJDMLWNNKB-ZDUSSCGKSA-N 1 2 349.843 3.583 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2cccc(F)c2)CC1 ZINC000192259114 1120728635 /nfs/dbraw/zinc/72/86/35/1120728635.db2.gz JTNQNBNKVPRKDT-UHFFFAOYSA-N 1 2 343.446 3.555 20 0 EHADLO FC(F)(F)SCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761655146 1120730018 /nfs/dbraw/zinc/73/00/18/1120730018.db2.gz ZGXBCODSGNUIQM-UHFFFAOYSA-N 1 2 340.330 3.734 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193840082 1120802196 /nfs/dbraw/zinc/80/21/96/1120802196.db2.gz PWUCINNGYMCZND-QGZVFWFLSA-N 1 2 329.488 3.905 20 0 EHADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194316102 1120835168 /nfs/dbraw/zinc/83/51/68/1120835168.db2.gz ALOLRIHITNSDEQ-UHFFFAOYSA-N 1 2 347.871 3.882 20 0 EHADLO CSc1nc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c2ccccn21 ZINC000194402367 1120841617 /nfs/dbraw/zinc/84/16/17/1120841617.db2.gz OYQLLNAJKKJEKO-UHFFFAOYSA-N 1 2 326.425 3.629 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 ZINC000393355360 1120853553 /nfs/dbraw/zinc/85/35/53/1120853553.db2.gz OSGOHEXZQAHTKE-ZDUSSCGKSA-N 1 2 340.652 3.613 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000467546284 1120919785 /nfs/dbraw/zinc/91/97/85/1120919785.db2.gz MPEDZCZYKKTYJR-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000467546284 1120919787 /nfs/dbraw/zinc/91/97/87/1120919787.db2.gz MPEDZCZYKKTYJR-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000153262842 1120928905 /nfs/dbraw/zinc/92/89/05/1120928905.db2.gz JMPDNUFVNHEPTR-MRXNPFEDSA-N 1 2 328.485 3.795 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000153262842 1120928908 /nfs/dbraw/zinc/92/89/08/1120928908.db2.gz JMPDNUFVNHEPTR-MRXNPFEDSA-N 1 2 328.485 3.795 20 0 EHADLO Cc1cnc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)s1 ZINC000495028045 1120934423 /nfs/dbraw/zinc/93/44/23/1120934423.db2.gz UCEWUWPQWGOWAT-UHFFFAOYSA-N 1 2 339.867 3.609 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000153281880 1120935974 /nfs/dbraw/zinc/93/59/74/1120935974.db2.gz NPUXFWOOYFRBTQ-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000153281880 1120935978 /nfs/dbraw/zinc/93/59/78/1120935978.db2.gz NPUXFWOOYFRBTQ-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccc(OC)cc2)n(C)c1=S)C1CC1 ZINC000914784033 1120985163 /nfs/dbraw/zinc/98/51/63/1120985163.db2.gz RUBMYUUBUXTGQN-UHFFFAOYSA-N 1 2 346.500 3.849 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccc(OC)cc2)n(C)c1=S)C1CC1 ZINC000914784033 1120985167 /nfs/dbraw/zinc/98/51/67/1120985167.db2.gz RUBMYUUBUXTGQN-UHFFFAOYSA-N 1 2 346.500 3.849 20 0 EHADLO CO[C@H]1CCC[C@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051181 1120998167 /nfs/dbraw/zinc/99/81/67/1120998167.db2.gz WPNLYNOYIHMJHS-YOEHRIQHSA-N 1 2 338.411 3.670 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(Cl)s1 ZINC000302745090 1121101283 /nfs/dbraw/zinc/10/12/83/1121101283.db2.gz FQGAQYZSDXEYPZ-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(Cl)s1 ZINC000302745090 1121101287 /nfs/dbraw/zinc/10/12/87/1121101287.db2.gz FQGAQYZSDXEYPZ-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@H]2C)nc1-c1ccccn1 ZINC000762141555 1121128037 /nfs/dbraw/zinc/12/80/37/1121128037.db2.gz ZCEBHEFAIOIWNG-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@H]2C)nc1-c1ccccn1 ZINC000762141555 1121128042 /nfs/dbraw/zinc/12/80/42/1121128042.db2.gz ZCEBHEFAIOIWNG-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476207 1121151457 /nfs/dbraw/zinc/15/14/57/1121151457.db2.gz JNGLRXLMKMIXCF-HNNXBMFYSA-N 1 2 340.870 3.996 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476207 1121151460 /nfs/dbraw/zinc/15/14/60/1121151460.db2.gz JNGLRXLMKMIXCF-HNNXBMFYSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476124 1121151625 /nfs/dbraw/zinc/15/16/25/1121151625.db2.gz JMSQEKGAUJYFPC-HNNXBMFYSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476124 1121151629 /nfs/dbraw/zinc/15/16/29/1121151629.db2.gz JMSQEKGAUJYFPC-HNNXBMFYSA-N 1 2 340.870 3.996 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)NCC1CC1 ZINC000495392120 1121159263 /nfs/dbraw/zinc/15/92/63/1121159263.db2.gz WVHSEWHRTROENO-IBGZPJMESA-N 1 2 346.833 3.684 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)o2)cc1 ZINC000915208487 1121253099 /nfs/dbraw/zinc/25/30/99/1121253099.db2.gz DPMXGVANRUMPMZ-ZDUSSCGKSA-N 1 2 335.473 3.739 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)o2)cc1 ZINC000915208487 1121253104 /nfs/dbraw/zinc/25/31/04/1121253104.db2.gz DPMXGVANRUMPMZ-ZDUSSCGKSA-N 1 2 335.473 3.739 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153519259 1121260669 /nfs/dbraw/zinc/26/06/69/1121260669.db2.gz XXDXOKATBZCXMZ-CQSZACIVSA-N 1 2 344.484 3.513 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153519259 1121260674 /nfs/dbraw/zinc/26/06/74/1121260674.db2.gz XXDXOKATBZCXMZ-CQSZACIVSA-N 1 2 344.484 3.513 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)C(C)(C)C ZINC000762393601 1121276411 /nfs/dbraw/zinc/27/64/11/1121276411.db2.gz UCLNQLAXUBFXLM-UHFFFAOYSA-N 1 2 345.439 3.519 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(=O)oc2cc(CC)ccc12)C(C)(C)C ZINC000762393601 1121276415 /nfs/dbraw/zinc/27/64/15/1121276415.db2.gz UCLNQLAXUBFXLM-UHFFFAOYSA-N 1 2 345.439 3.519 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762563948 1121355865 /nfs/dbraw/zinc/35/58/65/1121355865.db2.gz YRXWOJOGBBMWKU-HLRDLLSLSA-N 1 2 349.434 3.841 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)CCc2ccccc2F)c(N(C)C)[nH+]1 ZINC001127365840 1121401054 /nfs/dbraw/zinc/40/10/54/1121401054.db2.gz PZDSTCPQBQLAQG-CYBMUJFWSA-N 1 2 329.419 3.803 20 0 EHADLO FC(F)(F)c1ccccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000237805883 1121495085 /nfs/dbraw/zinc/49/50/85/1121495085.db2.gz MKAWQHMTIXAXCK-UHFFFAOYSA-N 1 2 337.345 3.549 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749938290 1121596861 /nfs/dbraw/zinc/59/68/61/1121596861.db2.gz REBKEXGROJEGFV-HZPDHXFCSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749938290 1121596865 /nfs/dbraw/zinc/59/68/65/1121596865.db2.gz REBKEXGROJEGFV-HZPDHXFCSA-N 1 2 340.389 3.886 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000496005668 1121608787 /nfs/dbraw/zinc/60/87/87/1121608787.db2.gz HWEQKOMYWFIQNQ-CYBMUJFWSA-N 1 2 331.416 3.585 20 0 EHADLO CCC(CC)(CC)S[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000762970200 1121619657 /nfs/dbraw/zinc/61/96/57/1121619657.db2.gz RJOCQFNFJPHYQG-MRXNPFEDSA-N 1 2 349.544 3.821 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001168499176 1121632088 /nfs/dbraw/zinc/63/20/88/1121632088.db2.gz XEYHSZBAZHXAOI-OXJNMPFZSA-N 1 2 329.415 3.537 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001168499176 1121632093 /nfs/dbraw/zinc/63/20/93/1121632093.db2.gz XEYHSZBAZHXAOI-OXJNMPFZSA-N 1 2 329.415 3.537 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCCC[C@@H]1c1ccccc1 ZINC000763025746 1121659725 /nfs/dbraw/zinc/65/97/25/1121659725.db2.gz KCBJODRMRZMMNL-OAQYLSRUSA-N 1 2 349.478 3.939 20 0 EHADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466942 1121881455 /nfs/dbraw/zinc/88/14/55/1121881455.db2.gz DUHFOYUZBSTJHW-DLBZAZTESA-N 1 2 328.460 3.537 20 0 EHADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466942 1121881464 /nfs/dbraw/zinc/88/14/64/1121881464.db2.gz DUHFOYUZBSTJHW-DLBZAZTESA-N 1 2 328.460 3.537 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@@H]3CCCCC[C@@H]31)CCC2 ZINC000763222203 1121913511 /nfs/dbraw/zinc/91/35/11/1121913511.db2.gz VTESZFBGPGUANC-VNQPRFMTSA-N 1 2 347.528 3.763 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@@H]3CCCCC[C@@H]31)CCC2 ZINC000763222203 1121913516 /nfs/dbraw/zinc/91/35/16/1121913516.db2.gz VTESZFBGPGUANC-VNQPRFMTSA-N 1 2 347.528 3.763 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485225 1121921474 /nfs/dbraw/zinc/92/14/74/1121921474.db2.gz OIWQMWLSICDBCQ-ZDUSSCGKSA-N 1 2 348.397 3.564 20 0 EHADLO c1c2ccccc2n2c1C[N@H+](C[C@@H]1COc3ccccc3O1)CCC2 ZINC000672579206 1129018611 /nfs/dbraw/zinc/01/86/11/1129018611.db2.gz VMWNUUIJHOTPLD-GOSISDBHSA-N 1 2 334.419 3.687 20 0 EHADLO c1c2ccccc2n2c1C[N@@H+](C[C@@H]1COc3ccccc3O1)CCC2 ZINC000672579206 1129018617 /nfs/dbraw/zinc/01/86/17/1129018617.db2.gz VMWNUUIJHOTPLD-GOSISDBHSA-N 1 2 334.419 3.687 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(C)(C)C)s2)c1C ZINC000763315321 1121955480 /nfs/dbraw/zinc/95/54/80/1121955480.db2.gz BFSWIOACUXFZFU-UHFFFAOYSA-N 1 2 332.469 3.996 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cs1 ZINC000171783077 1121970494 /nfs/dbraw/zinc/97/04/94/1121970494.db2.gz HPLJIURAMNUYNG-RYUDHWBXSA-N 1 2 345.468 3.586 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444193133 1121972080 /nfs/dbraw/zinc/97/20/80/1121972080.db2.gz HTWQTLJTZMVMND-ZACQAIPSSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1ccccc1NC(=S)NCc1ccccc1Cn1cc[nH+]c1 ZINC000916014516 1122029015 /nfs/dbraw/zinc/02/90/15/1122029015.db2.gz CSSXDZLZGMTTCC-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cccc(F)c1 ZINC000496597991 1122130006 /nfs/dbraw/zinc/13/00/06/1122130006.db2.gz AUFGPDOBQUFAJB-UHFFFAOYSA-N 1 2 331.391 3.858 20 0 EHADLO Cc1cc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000496891279 1122200620 /nfs/dbraw/zinc/20/06/20/1122200620.db2.gz HNIGAMDUIPUWDK-GJZGRUSLSA-N 1 2 348.491 3.648 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cnc(C)s1 ZINC000763409429 1122231166 /nfs/dbraw/zinc/23/11/66/1122231166.db2.gz YHVMDYNVVNYYQG-UHFFFAOYSA-N 1 2 330.457 3.840 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444206689 1122234287 /nfs/dbraw/zinc/23/42/87/1122234287.db2.gz RYDOXMPITZGPLH-MRXNPFEDSA-N 1 2 334.508 3.770 20 0 EHADLO CC(C)c1ncc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000154112604 1122245304 /nfs/dbraw/zinc/24/53/04/1122245304.db2.gz JXVMOGVGQOQFPO-ZDUSSCGKSA-N 1 2 327.457 3.698 20 0 EHADLO COC(C)(C)C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124302814 1122280812 /nfs/dbraw/zinc/28/08/12/1122280812.db2.gz IMPKBLWGERVQHC-KRWDZBQOSA-N 1 2 337.423 3.841 20 0 EHADLO CC[C@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000124608687 1122290100 /nfs/dbraw/zinc/29/01/00/1122290100.db2.gz MFBWAQDFFZJDPD-MEQKGCOVSA-N 1 2 332.407 3.548 20 0 EHADLO COc1ccnc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000125419068 1122316382 /nfs/dbraw/zinc/31/63/82/1122316382.db2.gz REHDJZDWPHDILH-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1ccnc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000125419068 1122316387 /nfs/dbraw/zinc/31/63/87/1122316387.db2.gz REHDJZDWPHDILH-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000125586234 1122321015 /nfs/dbraw/zinc/32/10/15/1122321015.db2.gz DJGVRGBFLPNNQY-FQEVSTJZSA-N 1 2 327.424 3.755 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000125586234 1122321022 /nfs/dbraw/zinc/32/10/22/1122321022.db2.gz DJGVRGBFLPNNQY-FQEVSTJZSA-N 1 2 327.424 3.755 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCC(C)(C)C ZINC000126051737 1122384023 /nfs/dbraw/zinc/38/40/23/1122384023.db2.gz YPESQFWVSIROIW-UHFFFAOYSA-N 1 2 332.488 3.982 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126177141 1122391888 /nfs/dbraw/zinc/39/18/88/1122391888.db2.gz FAFXUIVLCUYDRS-APWZRJJASA-N 1 2 339.483 3.833 20 0 EHADLO Cc1ncsc1C[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000066563378 1122474908 /nfs/dbraw/zinc/47/49/08/1122474908.db2.gz LAYOMJXNEOARSZ-UHFFFAOYSA-N 1 2 345.512 3.711 20 0 EHADLO Cc1ncsc1C[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000066563378 1122474910 /nfs/dbraw/zinc/47/49/10/1122474910.db2.gz LAYOMJXNEOARSZ-UHFFFAOYSA-N 1 2 345.512 3.711 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127667065 1122500591 /nfs/dbraw/zinc/50/05/91/1122500591.db2.gz VOUWXJXRXURPHU-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127667065 1122500595 /nfs/dbraw/zinc/50/05/95/1122500595.db2.gz VOUWXJXRXURPHU-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000917106545 1122504713 /nfs/dbraw/zinc/50/47/13/1122504713.db2.gz VVBLIKDWFZVAJH-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000917106545 1122504716 /nfs/dbraw/zinc/50/47/16/1122504716.db2.gz VVBLIKDWFZVAJH-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(CCCc2ccccc2)cc1 ZINC000170670594 1122570176 /nfs/dbraw/zinc/57/01/76/1122570176.db2.gz MHMPPJZKOVPDRS-UHFFFAOYSA-N 1 2 348.450 3.880 20 0 EHADLO CC(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000497547531 1122582013 /nfs/dbraw/zinc/58/20/13/1122582013.db2.gz OUNRZUNUMVHJMA-CQSZACIVSA-N 1 2 343.496 3.932 20 0 EHADLO CC(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000497547531 1122582017 /nfs/dbraw/zinc/58/20/17/1122582017.db2.gz OUNRZUNUMVHJMA-CQSZACIVSA-N 1 2 343.496 3.932 20 0 EHADLO Cc1cc2c(c(F)c1)N(C[N@@H+]1CCC[C@@H]1C1CCCCC1)C(=O)C2=O ZINC000917480898 1122613594 /nfs/dbraw/zinc/61/35/94/1122613594.db2.gz VDFUJJLSJUHQDX-QGZVFWFLSA-N 1 2 344.430 3.666 20 0 EHADLO Cc1cc2c(c(F)c1)N(C[N@H+]1CCC[C@@H]1C1CCCCC1)C(=O)C2=O ZINC000917480898 1122613597 /nfs/dbraw/zinc/61/35/97/1122613597.db2.gz VDFUJJLSJUHQDX-QGZVFWFLSA-N 1 2 344.430 3.666 20 0 EHADLO O=c1c2ccccc2sn1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917617439 1122650286 /nfs/dbraw/zinc/65/02/86/1122650286.db2.gz FPJFVXHPZRVMIT-MRXNPFEDSA-N 1 2 342.439 3.867 20 0 EHADLO O=c1c2ccccc2sn1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917617439 1122650287 /nfs/dbraw/zinc/65/02/87/1122650287.db2.gz FPJFVXHPZRVMIT-MRXNPFEDSA-N 1 2 342.439 3.867 20 0 EHADLO Cc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c(O)c1 ZINC000129149046 1122747495 /nfs/dbraw/zinc/74/74/95/1122747495.db2.gz BBZAGGYOXZONMG-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO C[C@@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)Cn1cc[nH+]c1 ZINC000130012096 1122866343 /nfs/dbraw/zinc/86/63/43/1122866343.db2.gz ZIRRNTGLIFKSFO-HNNXBMFYSA-N 1 2 347.418 3.778 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444892637 1122869207 /nfs/dbraw/zinc/86/92/07/1122869207.db2.gz BWCULRFGSMBLBF-GDBMZVCRSA-N 1 2 342.443 3.539 20 0 EHADLO COCc1ccc(C[N@H+](C)Cc2cc(Br)ccc2F)o1 ZINC000130381632 1122946793 /nfs/dbraw/zinc/94/67/93/1122946793.db2.gz HBJHFBBTFCPQAO-UHFFFAOYSA-N 1 2 342.208 3.960 20 0 EHADLO COCc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2F)o1 ZINC000130381632 1122946795 /nfs/dbraw/zinc/94/67/95/1122946795.db2.gz HBJHFBBTFCPQAO-UHFFFAOYSA-N 1 2 342.208 3.960 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(Cn2c[nH+]c(Cc3ccccc3)c2)n1 ZINC000919145039 1122986087 /nfs/dbraw/zinc/98/60/87/1122986087.db2.gz VIZRPHVEMQDJHP-HNNXBMFYSA-N 1 2 340.427 3.639 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccccc1 ZINC000130760176 1122994938 /nfs/dbraw/zinc/99/49/38/1122994938.db2.gz REHLMAPSRDIIFQ-QUCCMNQESA-N 1 2 338.451 3.628 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000071840826 1123014781 /nfs/dbraw/zinc/01/47/81/1123014781.db2.gz IWXJLYVHDGDYFS-CQSZACIVSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000071840826 1123014787 /nfs/dbraw/zinc/01/47/87/1123014787.db2.gz IWXJLYVHDGDYFS-CQSZACIVSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000071840825 1123014991 /nfs/dbraw/zinc/01/49/91/1123014991.db2.gz IWXJLYVHDGDYFS-AWEZNQCLSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000071840825 1123014995 /nfs/dbraw/zinc/01/49/95/1123014995.db2.gz IWXJLYVHDGDYFS-AWEZNQCLSA-N 1 2 331.334 3.503 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000445167142 1123050219 /nfs/dbraw/zinc/05/02/19/1123050219.db2.gz YDIUHZKJBZJOAT-CYBMUJFWSA-N 1 2 332.835 3.793 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)C1CCCC1 ZINC000131261667 1123068609 /nfs/dbraw/zinc/06/86/09/1123068609.db2.gz XQMMZKWYROTAQZ-UHFFFAOYSA-N 1 2 344.499 3.982 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC000498814210 1123077234 /nfs/dbraw/zinc/07/72/34/1123077234.db2.gz NTNGNQFZZLZMBH-UHFFFAOYSA-N 1 2 337.533 3.757 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(-c2cccc(F)c2)no1 ZINC000763438950 1123094989 /nfs/dbraw/zinc/09/49/89/1123094989.db2.gz CJWYXUQBJVXIQN-GFCCVEGCSA-N 1 2 339.370 3.757 20 0 EHADLO c1n[nH]c2c1CC[C@@H]([NH2+][C@H](c1cc3ccccc3o1)c1cccnc1)C2 ZINC000498931076 1123118319 /nfs/dbraw/zinc/11/83/19/1123118319.db2.gz QITJRJJXKUDXNZ-UTKZUKDTSA-N 1 2 344.418 3.787 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000131481473 1123119446 /nfs/dbraw/zinc/11/94/46/1123119446.db2.gz CNTLWNSJYBBHDD-YLJYHZDGSA-N 1 2 345.446 3.962 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)s2)CC12CCCCC2 ZINC000498938024 1123120915 /nfs/dbraw/zinc/12/09/15/1123120915.db2.gz RRYUFCRZFIYWBY-UHFFFAOYSA-N 1 2 326.893 3.769 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)s2)CC12CCCCC2 ZINC000498938024 1123120917 /nfs/dbraw/zinc/12/09/17/1123120917.db2.gz RRYUFCRZFIYWBY-UHFFFAOYSA-N 1 2 326.893 3.769 20 0 EHADLO CCOc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000556860835 1123156055 /nfs/dbraw/zinc/15/60/55/1123156055.db2.gz XQWAJCLGHRWQNW-QAQDUYKDSA-N 1 2 339.439 3.633 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000072773349 1123156095 /nfs/dbraw/zinc/15/60/95/1123156095.db2.gz WSIYYQRHGRNTOR-KBXCAEBGSA-N 1 2 342.414 3.856 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000072773349 1123156096 /nfs/dbraw/zinc/15/60/96/1123156096.db2.gz WSIYYQRHGRNTOR-KBXCAEBGSA-N 1 2 342.414 3.856 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000556882597 1123171113 /nfs/dbraw/zinc/17/11/13/1123171113.db2.gz AUCXLRXQPJALMA-UHFFFAOYSA-N 1 2 349.482 3.673 20 0 EHADLO CC(C)CCn1cccc1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000556882597 1123171114 /nfs/dbraw/zinc/17/11/14/1123171114.db2.gz AUCXLRXQPJALMA-UHFFFAOYSA-N 1 2 349.482 3.673 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132093444 1123200687 /nfs/dbraw/zinc/20/06/87/1123200687.db2.gz KZSUXVDSPKQUAY-INIZCTEOSA-N 1 2 344.434 3.732 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000132292912 1123216333 /nfs/dbraw/zinc/21/63/33/1123216333.db2.gz GKCCWXWJWSVCNX-LJQANCHMSA-N 1 2 346.858 3.554 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347476610 1123240732 /nfs/dbraw/zinc/24/07/32/1123240732.db2.gz OSHCFKDJMKIGEJ-ROUUACIJSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347476610 1123240736 /nfs/dbraw/zinc/24/07/36/1123240736.db2.gz OSHCFKDJMKIGEJ-ROUUACIJSA-N 1 2 342.487 3.612 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000609313870 1123344189 /nfs/dbraw/zinc/34/41/89/1123344189.db2.gz YFOFNUIIDSNEAL-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000609313870 1123344192 /nfs/dbraw/zinc/34/41/92/1123344192.db2.gz YFOFNUIIDSNEAL-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000920244177 1123346713 /nfs/dbraw/zinc/34/67/13/1123346713.db2.gz NFIBEPBTFLALOX-GPMSIDNRSA-N 1 2 332.488 3.882 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2C1 ZINC000920768881 1123422425 /nfs/dbraw/zinc/42/24/25/1123422425.db2.gz WOSJNFPESASWAK-CXAGYDPISA-N 1 2 345.512 3.914 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000920767293 1123422497 /nfs/dbraw/zinc/42/24/97/1123422497.db2.gz VFGPOFAMGCACJP-MRXNPFEDSA-N 1 2 344.846 3.863 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]1(C)CC ZINC000133745467 1123428484 /nfs/dbraw/zinc/42/84/84/1123428484.db2.gz HCRYGUUPXPSALS-PXNSSMCTSA-N 1 2 329.488 3.583 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000921046750 1123458846 /nfs/dbraw/zinc/45/88/46/1123458846.db2.gz QDHUVTKKQZNUFY-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000921046750 1123458847 /nfs/dbraw/zinc/45/88/47/1123458847.db2.gz QDHUVTKKQZNUFY-UHFFFAOYSA-N 1 2 345.516 3.871 20 0 EHADLO c1cn(-c2ccc(-c3noc([C@H]4CCNc5ccccc54)n3)cc2)c[nH+]1 ZINC001212252634 1123484934 /nfs/dbraw/zinc/48/49/34/1123484934.db2.gz XLQBHITXVSYFDE-KRWDZBQOSA-N 1 2 343.390 3.870 20 0 EHADLO CCCCN(CCCC)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921244475 1123498026 /nfs/dbraw/zinc/49/80/26/1123498026.db2.gz GPKHDXDJEKDAME-UHFFFAOYSA-N 1 2 328.460 3.984 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076916938 1123523992 /nfs/dbraw/zinc/52/39/92/1123523992.db2.gz WTXARMZTUNUOHN-ZWKOTPCHSA-N 1 2 337.810 3.812 20 0 EHADLO O=C(CC1CCSCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000134846861 1123557663 /nfs/dbraw/zinc/55/76/63/1123557663.db2.gz KFSDPRLTBYZWHR-UHFFFAOYSA-N 1 2 339.530 3.601 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000348540012 1129130073 /nfs/dbraw/zinc/13/00/73/1129130073.db2.gz RHQKIJADBVLQOY-CABCVRRESA-N 1 2 345.874 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000348540012 1129130076 /nfs/dbraw/zinc/13/00/76/1129130076.db2.gz RHQKIJADBVLQOY-CABCVRRESA-N 1 2 345.874 3.741 20 0 EHADLO O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000135084580 1123580861 /nfs/dbraw/zinc/58/08/61/1123580861.db2.gz WMNKWAHMRZAGOP-UHFFFAOYSA-N 1 2 349.287 3.610 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609556064 1123613003 /nfs/dbraw/zinc/61/30/03/1123613003.db2.gz VQTOWRKCAFTUQM-MRXNPFEDSA-N 1 2 330.457 3.615 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609554346 1123613341 /nfs/dbraw/zinc/61/33/41/1123613341.db2.gz CNGDBVDYOCUFEM-MRXNPFEDSA-N 1 2 330.457 3.615 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000064440681 1123617974 /nfs/dbraw/zinc/61/79/74/1123617974.db2.gz TZBJPOGCPLPGGN-MRXNPFEDSA-N 1 2 325.412 3.782 20 0 EHADLO O=C([C@H]1CCCc2sccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000136838527 1123731477 /nfs/dbraw/zinc/73/14/77/1123731477.db2.gz RASQYQOOHDIRLV-INIZCTEOSA-N 1 2 346.521 3.574 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000138074843 1123813396 /nfs/dbraw/zinc/81/33/96/1123813396.db2.gz KJPCAAPTRIJNOX-GFCCVEGCSA-N 1 2 327.334 3.893 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245435623 1123826175 /nfs/dbraw/zinc/82/61/75/1123826175.db2.gz QOCPZYRWQKRRMI-QEEYODRMSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245435623 1123826179 /nfs/dbraw/zinc/82/61/79/1123826179.db2.gz QOCPZYRWQKRRMI-QEEYODRMSA-N 1 2 336.435 3.909 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccccc1 ZINC000245443840 1123828310 /nfs/dbraw/zinc/82/83/10/1123828310.db2.gz XMBABJVDIXNPNT-FOIQADDNSA-N 1 2 338.455 3.630 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccccc1 ZINC000245443840 1123828314 /nfs/dbraw/zinc/82/83/14/1123828314.db2.gz XMBABJVDIXNPNT-FOIQADDNSA-N 1 2 338.455 3.630 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000615710823 1123861092 /nfs/dbraw/zinc/86/10/92/1123861092.db2.gz XBWLJWOHWRHLSG-XNJGSVPQSA-N 1 2 347.821 3.584 20 0 EHADLO COc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000179826329 1123868941 /nfs/dbraw/zinc/86/89/41/1123868941.db2.gz RJTJSNRFZFXXKU-UHFFFAOYSA-N 1 2 346.858 3.767 20 0 EHADLO COc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000179826329 1123868945 /nfs/dbraw/zinc/86/89/45/1123868945.db2.gz RJTJSNRFZFXXKU-UHFFFAOYSA-N 1 2 346.858 3.767 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543042375 1129151536 /nfs/dbraw/zinc/15/15/36/1129151536.db2.gz WGOLCJXZCPSXSH-WMZOPIPTSA-N 1 2 332.492 3.664 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664846 1123915603 /nfs/dbraw/zinc/91/56/03/1123915603.db2.gz IOEURHFKYPFENR-AEFFLSMTSA-N 1 2 347.409 3.522 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664846 1123915606 /nfs/dbraw/zinc/91/56/06/1123915606.db2.gz IOEURHFKYPFENR-AEFFLSMTSA-N 1 2 347.409 3.522 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000616153924 1123952773 /nfs/dbraw/zinc/95/27/73/1123952773.db2.gz KUCGLNIOCDWJQE-XLNGHYISSA-N 1 2 343.858 3.630 20 0 EHADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327948 1123982801 /nfs/dbraw/zinc/98/28/01/1123982801.db2.gz DWKCSTBFZHCVQT-QRVBRYPASA-N 1 2 337.467 3.630 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616329366 1123983978 /nfs/dbraw/zinc/98/39/78/1123983978.db2.gz WUAFAUBEZUYRKA-MOPGFXCFSA-N 1 2 325.456 3.538 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616330861 1123984540 /nfs/dbraw/zinc/98/45/40/1123984540.db2.gz WILYVZHYFGVFLG-AYOQOUSVSA-N 1 2 325.456 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616330861 1123984546 /nfs/dbraw/zinc/98/45/46/1123984546.db2.gz WILYVZHYFGVFLG-AYOQOUSVSA-N 1 2 325.456 3.773 20 0 EHADLO Cl/C=C(/Cl)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000763479487 1124032883 /nfs/dbraw/zinc/03/28/83/1124032883.db2.gz GVUGWHXZKDMRAN-SDNWHVSQSA-N 1 2 349.689 3.655 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC[C@@H]2C=CCC2)CC1 ZINC001687440317 1124055670 /nfs/dbraw/zinc/05/56/70/1124055670.db2.gz XGMLMGOEEGWIBJ-APWZRJJASA-N 1 2 345.462 3.570 20 0 EHADLO C[C@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C(C)(C)C ZINC000734534729 1131248396 /nfs/dbraw/zinc/24/83/96/1131248396.db2.gz OPOGFAWWDKIKKH-IBWPDUFMSA-N 1 2 343.515 3.709 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000617249722 1124456499 /nfs/dbraw/zinc/45/64/99/1124456499.db2.gz XETCFWSIMMTZHK-LBPRGKRZSA-N 1 2 332.835 3.558 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246485267 1124483616 /nfs/dbraw/zinc/48/36/16/1124483616.db2.gz AHQMOJYCXARLAG-KGLIPLIRSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246485267 1124483622 /nfs/dbraw/zinc/48/36/22/1124483622.db2.gz AHQMOJYCXARLAG-KGLIPLIRSA-N 1 2 331.847 3.715 20 0 EHADLO O=C(N1CC[NH+](C/C=C\c2ccccc2)CC1)C1(c2ccccc2)CC1 ZINC000247757840 1124626118 /nfs/dbraw/zinc/62/61/18/1124626118.db2.gz YJUXQJMRABLZMY-YFHOEESVSA-N 1 2 346.474 3.576 20 0 EHADLO CCCCCCOc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000763489747 1124682535 /nfs/dbraw/zinc/68/25/35/1124682535.db2.gz IADHENPOEPPCEI-GAJHUEQPSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000763489747 1124682538 /nfs/dbraw/zinc/68/25/38/1124682538.db2.gz IADHENPOEPPCEI-GAJHUEQPSA-N 1 2 337.529 3.989 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000617663775 1124715145 /nfs/dbraw/zinc/71/51/45/1124715145.db2.gz AJFKHBJJHXWIQI-VQFNDLOPSA-N 1 2 325.456 3.734 20 0 EHADLO Cc1cc(C)cc(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069393054 1124743711 /nfs/dbraw/zinc/74/37/11/1124743711.db2.gz FERMWKCOAQOWBR-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO CCN(CCCNc1cc(C)[nH+]c(C2CC2)n1)C(=O)OC(C)(C)C ZINC000734834674 1131283701 /nfs/dbraw/zinc/28/37/01/1131283701.db2.gz COVZOJXWCQTREH-UHFFFAOYSA-N 1 2 334.464 3.721 20 0 EHADLO Cc1cc(NC[C@H](O)c2ccc(OC(C)C)cc2)nc(C2CC2)[nH+]1 ZINC000734833772 1131284197 /nfs/dbraw/zinc/28/41/97/1131284197.db2.gz ZBRZQLXXGDVRQB-KRWDZBQOSA-N 1 2 327.428 3.595 20 0 EHADLO Cc1cc(NC[C@H](O)c2cccc(C(F)(F)F)c2)nc(C2CC2)[nH+]1 ZINC000734835202 1131284773 /nfs/dbraw/zinc/28/47/73/1131284773.db2.gz ROUFGVHZWZKVJE-AWEZNQCLSA-N 1 2 337.345 3.827 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000735071013 1131306959 /nfs/dbraw/zinc/30/69/59/1131306959.db2.gz VZPRUSPHUFTTEP-VQIMIIECSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000735071013 1131306965 /nfs/dbraw/zinc/30/69/65/1131306965.db2.gz VZPRUSPHUFTTEP-VQIMIIECSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)c1cc(NCCCOCC2CCOCC2)nc(C(C)C)[nH+]1 ZINC000090094604 1124894525 /nfs/dbraw/zinc/89/45/25/1124894525.db2.gz HNVDVQYCDTWBPP-UHFFFAOYSA-N 1 2 335.492 3.969 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2occc2Br)cc1OC ZINC000735320679 1131331256 /nfs/dbraw/zinc/33/12/56/1131331256.db2.gz GELKQPHYPWKEHU-UHFFFAOYSA-N 1 2 340.217 3.739 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763538259 1125327617 /nfs/dbraw/zinc/32/76/17/1125327617.db2.gz KYIJOJRLHFLZLD-KWJWQAOWSA-N 1 2 337.291 3.931 20 0 EHADLO Cl/C=C(/Cl)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000763543953 1125330477 /nfs/dbraw/zinc/33/04/77/1125330477.db2.gz VDMMMNTWKUPKAL-BJMVGYQFSA-N 1 2 339.064 3.602 20 0 EHADLO Cc1cc([C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)c(O)cc1Cl ZINC000619380341 1125343526 /nfs/dbraw/zinc/34/35/26/1125343526.db2.gz RWRAAEUFDBCQNU-UONOGXRCSA-N 1 2 347.846 3.518 20 0 EHADLO CCc1cc(N2CCC[C@H]2c2ccc(Br)cn2)nc(C)[nH+]1 ZINC000413365259 1125363532 /nfs/dbraw/zinc/36/35/32/1125363532.db2.gz BZHQDKFDQNFPHC-HNNXBMFYSA-N 1 2 347.260 3.846 20 0 EHADLO O=C(Cc1cc2ccccc2o1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000619913718 1125431309 /nfs/dbraw/zinc/43/13/09/1125431309.db2.gz WCIYIOHTSOFEGD-UHFFFAOYSA-N 1 2 349.365 3.617 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619946891 1125432394 /nfs/dbraw/zinc/43/23/94/1125432394.db2.gz PQYRRBUHNWKQBD-WMZOPIPTSA-N 1 2 344.503 3.697 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114782121 1129192819 /nfs/dbraw/zinc/19/28/19/1129192819.db2.gz LZPCJRXRUZTVQO-ZWKOTPCHSA-N 1 2 346.519 3.685 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000066845531 1129215740 /nfs/dbraw/zinc/21/57/40/1129215740.db2.gz UJIMGKSAZUUGQW-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000066845531 1129215744 /nfs/dbraw/zinc/21/57/44/1129215744.db2.gz UJIMGKSAZUUGQW-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO CC(C)CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000079102300 1129235056 /nfs/dbraw/zinc/23/50/56/1129235056.db2.gz OFCYAMCEMYUODP-UHFFFAOYSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000067105104 1129244003 /nfs/dbraw/zinc/24/40/03/1129244003.db2.gz DYIIXIMEBVULAY-UHFFFAOYSA-N 1 2 327.472 3.710 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000115209878 1129246629 /nfs/dbraw/zinc/24/66/29/1129246629.db2.gz MDAFZQULRJPLNT-IBGZPJMESA-N 1 2 349.478 3.808 20 0 EHADLO COc1cc2c(cc1Cl)CN(c1cc(NCC3CC3)[nH+]cn1)CC2 ZINC000338812493 1129249804 /nfs/dbraw/zinc/24/98/04/1129249804.db2.gz BMWQGXORZKZLGA-UHFFFAOYSA-N 1 2 344.846 3.523 20 0 EHADLO COc1cc2c(cc1Cl)CN(c1cc(NCC3CC3)nc[nH+]1)CC2 ZINC000338812493 1129249806 /nfs/dbraw/zinc/24/98/06/1129249806.db2.gz BMWQGXORZKZLGA-UHFFFAOYSA-N 1 2 344.846 3.523 20 0 EHADLO c1ccc(CCC2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000673259559 1129263237 /nfs/dbraw/zinc/26/32/37/1129263237.db2.gz QSLLNBFZJJJVOZ-UHFFFAOYSA-N 1 2 347.466 3.507 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000115489328 1129269089 /nfs/dbraw/zinc/26/90/89/1129269089.db2.gz PAVAOMJCYZVSCT-DLBZAZTESA-N 1 2 325.456 3.878 20 0 EHADLO COc1cccc2c(NCc3ncn(-c4ccccc4)n3)c(C)c[nH+]c12 ZINC000338823244 1129310049 /nfs/dbraw/zinc/31/00/49/1129310049.db2.gz BFYBPVZFHSNLJN-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466220352 1129312146 /nfs/dbraw/zinc/31/21/46/1129312146.db2.gz RGXWIMLOVKAZCJ-SFHVURJKSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000116165170 1129339605 /nfs/dbraw/zinc/33/96/05/1129339605.db2.gz DMBPNEYHUUFMSF-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000068254279 1129355876 /nfs/dbraw/zinc/35/58/76/1129355876.db2.gz MHWSPQFAMHMDTD-UHFFFAOYSA-N 1 2 340.854 3.504 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548583 1129363371 /nfs/dbraw/zinc/36/33/71/1129363371.db2.gz BUZVUBIVYFEANG-RDJZCZTQSA-N 1 2 328.460 3.534 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(Cl)c1Cl ZINC000922261087 1129409311 /nfs/dbraw/zinc/40/93/11/1129409311.db2.gz OKWVJKVMCMGBHM-HNNXBMFYSA-N 1 2 338.234 3.752 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000081317114 1129413199 /nfs/dbraw/zinc/41/31/99/1129413199.db2.gz YXSJKNNITAUXRG-HOCLYGCPSA-N 1 2 339.464 3.685 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)c1F ZINC000657672564 1129459572 /nfs/dbraw/zinc/45/95/72/1129459572.db2.gz FOTLZMMDMYSLBQ-UHFFFAOYSA-N 1 2 340.345 3.737 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)c(Cl)c1OC ZINC000466472937 1129477558 /nfs/dbraw/zinc/47/75/58/1129477558.db2.gz IYPGKWWBDSPZCI-ZDUSSCGKSA-N 1 2 337.778 3.720 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)n1 ZINC000922488515 1129550007 /nfs/dbraw/zinc/55/00/07/1129550007.db2.gz DNMWZNVEZFWQFE-UHFFFAOYSA-N 1 2 345.443 3.894 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000623811224 1129551953 /nfs/dbraw/zinc/55/19/53/1129551953.db2.gz ZAPJMIKEFXXLAA-UHFFFAOYSA-N 1 2 346.390 3.604 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2c3ccccc3OC[C@H]2F)o1 ZINC000922522680 1129562170 /nfs/dbraw/zinc/56/21/70/1129562170.db2.gz WQVGXRJDVYGOOI-BEFAXECRSA-N 1 2 341.386 3.550 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000922577428 1129579006 /nfs/dbraw/zinc/57/90/06/1129579006.db2.gz AIQPBSUCNVIPHI-KRWDZBQOSA-N 1 2 339.439 3.673 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1OC ZINC000922619977 1129602016 /nfs/dbraw/zinc/60/20/16/1129602016.db2.gz YPEVQBWQAINAOT-LLVKDONJSA-N 1 2 342.212 3.561 20 0 EHADLO CCc1nc(C[NH2+]Cc2cc(Br)cc(OC)c2)cs1 ZINC000922672576 1129623006 /nfs/dbraw/zinc/62/30/06/1129623006.db2.gz FTFKUTLOBBQZKC-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000428939997 1129625291 /nfs/dbraw/zinc/62/52/91/1129625291.db2.gz OMEKIKHNIZFCAA-UHFFFAOYSA-N 1 2 343.736 3.596 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000428958319 1129637949 /nfs/dbraw/zinc/63/79/49/1129637949.db2.gz CHQUQPSBZSXCGO-BRWVUGGUSA-N 1 2 334.508 3.692 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961941 1129643164 /nfs/dbraw/zinc/64/31/64/1129643164.db2.gz AVRRDCLBCZJPFO-HOTGVXAUSA-N 1 2 328.460 3.606 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961941 1129643165 /nfs/dbraw/zinc/64/31/65/1129643165.db2.gz AVRRDCLBCZJPFO-HOTGVXAUSA-N 1 2 328.460 3.606 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428977463 1129658277 /nfs/dbraw/zinc/65/82/77/1129658277.db2.gz NFPYRLJLWBFMON-IRXDYDNUSA-N 1 2 346.519 3.966 20 0 EHADLO CCNc1nc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cs1 ZINC001168734614 1129660224 /nfs/dbraw/zinc/66/02/24/1129660224.db2.gz ZDFNVEMIUPDDOE-SNVBAGLBSA-N 1 2 339.436 3.582 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000429002033 1129688135 /nfs/dbraw/zinc/68/81/35/1129688135.db2.gz VHTJRGVIXNAWAK-UHFFFAOYSA-N 1 2 344.503 3.887 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1nc3c(s1)C[C@@H](C)CC3)n2C ZINC000347755963 1129691609 /nfs/dbraw/zinc/69/16/09/1129691609.db2.gz QQTBBUZWKQYTEY-ZDUSSCGKSA-N 1 2 340.496 3.753 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H]1C ZINC000347763612 1129702498 /nfs/dbraw/zinc/70/24/98/1129702498.db2.gz OZQCVJZOVRVSJE-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922885296 1129720169 /nfs/dbraw/zinc/72/01/69/1129720169.db2.gz MLJXTHRFZWRITA-ZDUSSCGKSA-N 1 2 336.208 3.545 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133298 1129741609 /nfs/dbraw/zinc/74/16/09/1129741609.db2.gz YNWFTAVHKDZCTG-DLBZAZTESA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133298 1129741611 /nfs/dbraw/zinc/74/16/11/1129741611.db2.gz YNWFTAVHKDZCTG-DLBZAZTESA-N 1 2 327.827 3.668 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000159041146 1129761827 /nfs/dbraw/zinc/76/18/27/1129761827.db2.gz FTAZGHMVHQNIPP-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625214405 1129763575 /nfs/dbraw/zinc/76/35/75/1129763575.db2.gz OOYBCILWJOFRCL-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)no1 ZINC000282420390 1129771652 /nfs/dbraw/zinc/77/16/52/1129771652.db2.gz CSQAMJMSUYCFDA-GXFFZTMASA-N 1 2 337.217 3.920 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001168739283 1129775735 /nfs/dbraw/zinc/77/57/35/1129775735.db2.gz NWUJLQZQPBRRER-FUHWJXTLSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001168739283 1129775738 /nfs/dbraw/zinc/77/57/38/1129775738.db2.gz NWUJLQZQPBRRER-FUHWJXTLSA-N 1 2 343.854 3.587 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ncccc1F ZINC001128531050 1129802286 /nfs/dbraw/zinc/80/22/86/1129802286.db2.gz WZLZAYHRIABULK-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO C[Si](C)(C)CCCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168741131 1129806102 /nfs/dbraw/zinc/80/61/02/1129806102.db2.gz BTDLGHDQJPLOJN-MRXNPFEDSA-N 1 2 338.955 3.931 20 0 EHADLO Cc1ccc2c(CC(=O)NCCc3cn4cccc(C)c4[nH+]3)coc2c1 ZINC000673725335 1129812565 /nfs/dbraw/zinc/81/25/65/1129812565.db2.gz UFGVYEZDDDKHHI-UHFFFAOYSA-N 1 2 347.418 3.599 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000673752757 1129829253 /nfs/dbraw/zinc/82/92/53/1129829253.db2.gz FKSMQOJIIWREFA-UHFFFAOYSA-N 1 2 330.815 3.536 20 0 EHADLO CCCN(C)c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000347803888 1129830569 /nfs/dbraw/zinc/83/05/69/1129830569.db2.gz XXWDPUCQPKPPLU-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)n1 ZINC000347811452 1129858986 /nfs/dbraw/zinc/85/89/86/1129858986.db2.gz BIIAXZISSMXMGK-ZDUSSCGKSA-N 1 2 340.452 3.850 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)CCCn1cc[nH+]c1 ZINC000673829949 1129871180 /nfs/dbraw/zinc/87/11/80/1129871180.db2.gz UKWYHVGNIUCHIQ-UHFFFAOYSA-N 1 2 329.444 3.926 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCc2[nH+]c[nH]c2C1 ZINC000625434948 1129875130 /nfs/dbraw/zinc/87/51/30/1129875130.db2.gz AOJQJQQGFFMODC-LLVKDONJSA-N 1 2 328.803 3.837 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)c1 ZINC000429157772 1129901768 /nfs/dbraw/zinc/90/17/68/1129901768.db2.gz NNRDWVBJIYIRKT-CQSZACIVSA-N 1 2 334.876 3.702 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)c1 ZINC000429157772 1129901772 /nfs/dbraw/zinc/90/17/72/1129901772.db2.gz NNRDWVBJIYIRKT-CQSZACIVSA-N 1 2 334.876 3.702 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sc1C ZINC000282466354 1129906645 /nfs/dbraw/zinc/90/66/45/1129906645.db2.gz WMGQPDCFNXXRFZ-OAHLLOKOSA-N 1 2 343.496 3.918 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000673943869 1129912407 /nfs/dbraw/zinc/91/24/07/1129912407.db2.gz AEHJOTRRDCZXAW-UHFFFAOYSA-N 1 2 325.343 3.580 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000673985202 1129938941 /nfs/dbraw/zinc/93/89/41/1129938941.db2.gz KPACAGWXLNQMRB-ZOBUZTSGSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625647160 1129965245 /nfs/dbraw/zinc/96/52/45/1129965245.db2.gz LYNJPBZPAWPVKU-AXFHLTTASA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625647160 1129965247 /nfs/dbraw/zinc/96/52/47/1129965247.db2.gz LYNJPBZPAWPVKU-AXFHLTTASA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H]1C[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H](C)C1(F)F ZINC000625649003 1129967806 /nfs/dbraw/zinc/96/78/06/1129967806.db2.gz JRFIGVGZAXCPQU-JMSVASOKSA-N 1 2 342.817 3.668 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cs1 ZINC000625660195 1129972397 /nfs/dbraw/zinc/97/23/97/1129972397.db2.gz WPJUNPQUMKXRGV-ZDUSSCGKSA-N 1 2 338.423 3.947 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cs1 ZINC000625660195 1129972399 /nfs/dbraw/zinc/97/23/99/1129972399.db2.gz WPJUNPQUMKXRGV-ZDUSSCGKSA-N 1 2 338.423 3.947 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1F ZINC000543559071 1129973280 /nfs/dbraw/zinc/97/32/80/1129973280.db2.gz PGSZCLYALLLUGC-GOSISDBHSA-N 1 2 329.415 3.668 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1F ZINC000543559071 1129973282 /nfs/dbraw/zinc/97/32/82/1129973282.db2.gz PGSZCLYALLLUGC-GOSISDBHSA-N 1 2 329.415 3.668 20 0 EHADLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC001137609117 1129992838 /nfs/dbraw/zinc/99/28/38/1129992838.db2.gz HIBBWPFOIZYQGU-SNVBAGLBSA-N 1 2 341.242 3.713 20 0 EHADLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC001137609117 1129992841 /nfs/dbraw/zinc/99/28/41/1129992841.db2.gz HIBBWPFOIZYQGU-SNVBAGLBSA-N 1 2 341.242 3.713 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674240995 1130035357 /nfs/dbraw/zinc/03/53/57/1130035357.db2.gz VEIWALZQEDLQEY-GOSISDBHSA-N 1 2 325.456 3.587 20 0 EHADLO CCn1cc(C(=O)NCCCCNc2cccc[nH+]2)c2ccccc21 ZINC000171928580 1130097374 /nfs/dbraw/zinc/09/73/74/1130097374.db2.gz OAZMSPVOIHVIHY-UHFFFAOYSA-N 1 2 336.439 3.678 20 0 EHADLO O=C(N[C@@H]1CCSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000172052917 1130102173 /nfs/dbraw/zinc/10/21/73/1130102173.db2.gz DBMUYIMMGXNBRX-QGZVFWFLSA-N 1 2 335.432 3.839 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccc(Cn2cncn2)cc1 ZINC000674693460 1130178058 /nfs/dbraw/zinc/17/80/58/1130178058.db2.gz FONWXLINMANXEI-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cccc(C(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245198025 1130178324 /nfs/dbraw/zinc/17/83/24/1130178324.db2.gz UERKXOFIUZFHJW-DVOMOZLQSA-N 1 2 340.414 3.697 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cccc(C(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245198025 1130178329 /nfs/dbraw/zinc/17/83/29/1130178329.db2.gz UERKXOFIUZFHJW-DVOMOZLQSA-N 1 2 340.414 3.697 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3nccs3)n2)c1 ZINC000766069254 1130194469 /nfs/dbraw/zinc/19/44/69/1130194469.db2.gz WVYXFBMEGSBPLU-INIZCTEOSA-N 1 2 328.416 3.940 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@H+]2Cn2ccc(-c3nccs3)n2)c1 ZINC000766069254 1130194470 /nfs/dbraw/zinc/19/44/70/1130194470.db2.gz WVYXFBMEGSBPLU-INIZCTEOSA-N 1 2 328.416 3.940 20 0 EHADLO c1cc(C[N@H+](Cc2ccccc2)Cc2cccc3nsnc32)n[nH]1 ZINC000766070177 1130195776 /nfs/dbraw/zinc/19/57/76/1130195776.db2.gz JMYGGOILLSEQLP-UHFFFAOYSA-N 1 2 335.436 3.617 20 0 EHADLO c1cc(C[N@@H+](Cc2ccccc2)Cc2cccc3nsnc32)n[nH]1 ZINC000766070177 1130195780 /nfs/dbraw/zinc/19/57/80/1130195780.db2.gz JMYGGOILLSEQLP-UHFFFAOYSA-N 1 2 335.436 3.617 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869682 1130212073 /nfs/dbraw/zinc/21/20/73/1130212073.db2.gz ZDOMPLKVHZSQQL-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869682 1130212077 /nfs/dbraw/zinc/21/20/77/1130212077.db2.gz ZDOMPLKVHZSQQL-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO Fc1ccc(-c2csc(N3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000674933521 1130229431 /nfs/dbraw/zinc/22/94/31/1130229431.db2.gz ZHDSDSWXILXDLI-OAHLLOKOSA-N 1 2 328.416 3.987 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2ccc(-c3nccs3)n2)n1 ZINC000766091900 1130259709 /nfs/dbraw/zinc/25/97/09/1130259709.db2.gz DDFHAFWGPHTXNR-MRXNPFEDSA-N 1 2 325.441 3.505 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2ccc(-c3nccs3)n2)n1 ZINC000766091900 1130259713 /nfs/dbraw/zinc/25/97/13/1130259713.db2.gz DDFHAFWGPHTXNR-MRXNPFEDSA-N 1 2 325.441 3.505 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cccc2[nH+]ccn21 ZINC001128950775 1130269650 /nfs/dbraw/zinc/26/96/50/1130269650.db2.gz DIVQVIXCYCLGCL-UHFFFAOYSA-N 1 2 325.799 3.797 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675225478 1130289144 /nfs/dbraw/zinc/28/91/44/1130289144.db2.gz XMOJLAWWZYCBCM-NUJGCVRESA-N 1 2 325.456 3.646 20 0 EHADLO Fc1ccc(Oc2ccc(-c3noc(Cn4cc[nH+]c4)n3)cc2)cc1 ZINC001212536714 1130322815 /nfs/dbraw/zinc/32/28/15/1130322815.db2.gz YRFRNOPBGMRBJI-UHFFFAOYSA-N 1 2 336.326 3.913 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000429249464 1130348775 /nfs/dbraw/zinc/34/87/75/1130348775.db2.gz RYVJNOREZWKIIS-ZDUSSCGKSA-N 1 2 343.377 3.817 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000429249464 1130348781 /nfs/dbraw/zinc/34/87/81/1130348781.db2.gz RYVJNOREZWKIIS-ZDUSSCGKSA-N 1 2 343.377 3.817 20 0 EHADLO Cc1cc(OCC(=O)Nc2ccc3[nH+]ccn3c2)cc(C)c1Cl ZINC000675795925 1130477171 /nfs/dbraw/zinc/47/71/71/1130477171.db2.gz PNZKQHDSSOZEST-UHFFFAOYSA-N 1 2 329.787 3.622 20 0 EHADLO Cn1c2ccc(N[C@@H](c3nnc[nH]3)c3ccccc3)cc2[nH+]c1C1CC1 ZINC000675913797 1130506718 /nfs/dbraw/zinc/50/67/18/1130506718.db2.gz UGTBGXLMCMCBDO-GOSISDBHSA-N 1 2 344.422 3.770 20 0 EHADLO CCCCc1nc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cs1 ZINC000675970967 1130512282 /nfs/dbraw/zinc/51/22/82/1130512282.db2.gz KKMCHNKHLTZNGN-UHFFFAOYSA-N 1 2 331.485 3.993 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000706113117 1130555445 /nfs/dbraw/zinc/55/54/45/1130555445.db2.gz JSJLRYLPINKDGP-YALNPMBYSA-N 1 2 329.444 3.968 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000730970771 1130754762 /nfs/dbraw/zinc/75/47/62/1130754762.db2.gz DATCWVFTNGBWKU-UHFFFAOYSA-N 1 2 332.835 3.556 20 0 EHADLO COc1ccc(-c2cc(CO[NH+]=C(N)Cc3cccs3)on2)cc1 ZINC000731029214 1130760097 /nfs/dbraw/zinc/76/00/97/1130760097.db2.gz OHQFAOQJGPZPQB-UHFFFAOYSA-N 1 2 343.408 3.653 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(F)cc1Br ZINC000731028648 1130762568 /nfs/dbraw/zinc/76/25/68/1130762568.db2.gz HEIDQBMSOSYXLT-UHFFFAOYSA-N 1 2 343.221 3.891 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c(=S)s1 ZINC000731205519 1130778215 /nfs/dbraw/zinc/77/82/15/1130778215.db2.gz VTSIQPZHBJRRQF-OAHLLOKOSA-N 1 2 348.541 3.795 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c(=S)s1 ZINC000731205519 1130778217 /nfs/dbraw/zinc/77/82/17/1130778217.db2.gz VTSIQPZHBJRRQF-OAHLLOKOSA-N 1 2 348.541 3.795 20 0 EHADLO CCCC[N@H+](CCOC)Cn1c(=O)sc2c1CC[C@@H](CCC)C2 ZINC000731660935 1130823469 /nfs/dbraw/zinc/82/34/69/1130823469.db2.gz MVGBAFRWXVVSBY-OAHLLOKOSA-N 1 2 340.533 3.521 20 0 EHADLO CCCC[N@@H+](CCOC)Cn1c(=O)sc2c1CC[C@@H](CCC)C2 ZINC000731660935 1130823473 /nfs/dbraw/zinc/82/34/73/1130823473.db2.gz MVGBAFRWXVVSBY-OAHLLOKOSA-N 1 2 340.533 3.521 20 0 EHADLO Cc1cccc(OCCCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000731920195 1130860988 /nfs/dbraw/zinc/86/09/88/1130860988.db2.gz NLZVYYCGBNJQIP-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO Cc1cccc(OCCCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000731920195 1130860992 /nfs/dbraw/zinc/86/09/92/1130860992.db2.gz NLZVYYCGBNJQIP-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000732055413 1130882583 /nfs/dbraw/zinc/88/25/83/1130882583.db2.gz LLQUFFUYIUSWQP-LFIBNONCSA-N 1 2 349.409 3.790 20 0 EHADLO C[C@@H](c1ccncc1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000732196737 1130892743 /nfs/dbraw/zinc/89/27/43/1130892743.db2.gz QFQBOHOUKZKFJD-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO C/C=C\C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000732307483 1130908734 /nfs/dbraw/zinc/90/87/34/1130908734.db2.gz GSCAVMISHZSRMT-DJWKRKHSSA-N 1 2 335.810 3.671 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000732663009 1130946847 /nfs/dbraw/zinc/94/68/47/1130946847.db2.gz IUGWQCLOQWELQY-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000732663009 1130946852 /nfs/dbraw/zinc/94/68/52/1130946852.db2.gz IUGWQCLOQWELQY-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000733192159 1131007874 /nfs/dbraw/zinc/00/78/74/1131007874.db2.gz ZRSSLYNBZYQMRO-UHFFFAOYSA-N 1 2 342.786 3.631 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000733301038 1131019312 /nfs/dbraw/zinc/01/93/12/1131019312.db2.gz WFHGWSAZNULUCS-IBGZPJMESA-N 1 2 338.480 3.876 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000733301038 1131019317 /nfs/dbraw/zinc/01/93/17/1131019317.db2.gz WFHGWSAZNULUCS-IBGZPJMESA-N 1 2 338.480 3.876 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)o1 ZINC000733310470 1131021110 /nfs/dbraw/zinc/02/11/10/1131021110.db2.gz RUUMDLUJPSEOJA-LJQANCHMSA-N 1 2 332.419 3.883 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)CN1C[C@H](c2ccccn2)CC1=O ZINC000733291930 1131022129 /nfs/dbraw/zinc/02/21/29/1131022129.db2.gz PNQVCUFQHYBLAO-CYBMUJFWSA-N 1 2 349.887 3.592 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)CN1C[C@H](c2ccccn2)CC1=O ZINC000733291930 1131022135 /nfs/dbraw/zinc/02/21/35/1131022135.db2.gz PNQVCUFQHYBLAO-CYBMUJFWSA-N 1 2 349.887 3.592 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)c1c(C)nn(C)c1C ZINC000348043153 1131135868 /nfs/dbraw/zinc/13/58/68/1131135868.db2.gz LZJMMQYQPHJKKL-INIZCTEOSA-N 1 2 339.443 3.636 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](CC)Cc1ccncc1)c1ccc(Cl)cc1 ZINC000348076213 1131141387 /nfs/dbraw/zinc/14/13/87/1131141387.db2.gz NMXVRUTURPNNSW-SFHVURJKSA-N 1 2 345.874 3.824 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccncc1)c1ccc(Cl)cc1 ZINC000348076213 1131141391 /nfs/dbraw/zinc/14/13/91/1131141391.db2.gz NMXVRUTURPNNSW-SFHVURJKSA-N 1 2 345.874 3.824 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1c(F)cccc1F ZINC000378925758 1131167506 /nfs/dbraw/zinc/16/75/06/1131167506.db2.gz SVHDDDSZDRCTAA-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO CC[C@@H](NC(=S)NCCCNc1cccc[nH+]1)c1cccs1 ZINC000734371969 1131228958 /nfs/dbraw/zinc/22/89/58/1131228958.db2.gz CCTHNWMNTGZYJG-CYBMUJFWSA-N 1 2 334.514 3.561 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+](C)C[C@@H]3CCCO3)c2=S)cc1C ZINC000738062458 1131461745 /nfs/dbraw/zinc/46/17/45/1131461745.db2.gz ZCUOFEUUVAWNJJ-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+](C)C[C@@H]3CCCO3)c2=S)cc1C ZINC000738062458 1131461747 /nfs/dbraw/zinc/46/17/47/1131461747.db2.gz ZCUOFEUUVAWNJJ-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057127 1131461756 /nfs/dbraw/zinc/46/17/56/1131461756.db2.gz RITUZEFIOOFQGV-CABCVRRESA-N 1 2 345.516 3.708 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057127 1131461759 /nfs/dbraw/zinc/46/17/59/1131461759.db2.gz RITUZEFIOOFQGV-CABCVRRESA-N 1 2 345.516 3.708 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059842 1131462109 /nfs/dbraw/zinc/46/21/09/1131462109.db2.gz ZCQSOBKCSHJNHG-HOCLYGCPSA-N 1 2 331.489 3.656 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059842 1131462112 /nfs/dbraw/zinc/46/21/12/1131462112.db2.gz ZCQSOBKCSHJNHG-HOCLYGCPSA-N 1 2 331.489 3.656 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC000738305142 1131467396 /nfs/dbraw/zinc/46/73/96/1131467396.db2.gz PTKUAFYHTUPTOS-SFHVURJKSA-N 1 2 330.403 3.636 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)COc3ccc(C)cc3)ccc2[nH+]1 ZINC000738918412 1131490999 /nfs/dbraw/zinc/49/09/99/1131490999.db2.gz BLEYTNHNDQHDOX-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830639 1131513859 /nfs/dbraw/zinc/51/38/59/1131513859.db2.gz IAFNGEDYLHTEFG-ZBFHGGJFSA-N 1 2 342.464 3.688 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830639 1131513868 /nfs/dbraw/zinc/51/38/68/1131513868.db2.gz IAFNGEDYLHTEFG-ZBFHGGJFSA-N 1 2 342.464 3.688 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000179353069 1131523508 /nfs/dbraw/zinc/52/35/08/1131523508.db2.gz UWSMVVWMYVNHTE-QGZVFWFLSA-N 1 2 330.472 3.674 20 0 EHADLO C[C@H](CNC(=O)c1sccc1-c1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000740727323 1131538415 /nfs/dbraw/zinc/53/84/15/1131538415.db2.gz LWNIMAZBTSABQM-CYBMUJFWSA-N 1 2 343.427 3.817 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943227 1131559524 /nfs/dbraw/zinc/55/95/24/1131559524.db2.gz SZPNRAVLSPRFTC-STQMWFEESA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943227 1131559528 /nfs/dbraw/zinc/55/95/28/1131559528.db2.gz SZPNRAVLSPRFTC-STQMWFEESA-N 1 2 330.378 3.911 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCCOc1ccc(F)cc1)c1ccccc1 ZINC000741149182 1131583804 /nfs/dbraw/zinc/58/38/04/1131583804.db2.gz MSHHKNHXPICXTF-IBGZPJMESA-N 1 2 345.414 3.831 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCCOc1ccc(F)cc1)c1ccccc1 ZINC000741149182 1131583806 /nfs/dbraw/zinc/58/38/06/1131583806.db2.gz MSHHKNHXPICXTF-IBGZPJMESA-N 1 2 345.414 3.831 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000179881836 1131599411 /nfs/dbraw/zinc/59/94/11/1131599411.db2.gz OVDGWSRIXDRLGI-QFIPXVFZSA-N 1 2 345.446 3.751 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000179881836 1131599414 /nfs/dbraw/zinc/59/94/14/1131599414.db2.gz OVDGWSRIXDRLGI-QFIPXVFZSA-N 1 2 345.446 3.751 20 0 EHADLO CC[C@@H](C)NC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877548 1131663515 /nfs/dbraw/zinc/66/35/15/1131663515.db2.gz XGGHRFPJISLVAY-ZIAGYGMSSA-N 1 2 339.936 3.692 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3nc(C)ncc3Cl)c2)[nH+]c1C ZINC000742055776 1131683809 /nfs/dbraw/zinc/68/38/09/1131683809.db2.gz MWOSLHUJVLXJJQ-UHFFFAOYSA-N 1 2 341.802 3.698 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCSc2ccccc21 ZINC000742056860 1131683811 /nfs/dbraw/zinc/68/38/11/1131683811.db2.gz ZPFHQQYXWFTKDK-NVXWUHKLSA-N 1 2 343.496 3.694 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742164686 1131691592 /nfs/dbraw/zinc/69/15/92/1131691592.db2.gz BGDJUGBBKMUTMZ-BMFZPTHFSA-N 1 2 328.485 3.569 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742164686 1131691595 /nfs/dbraw/zinc/69/15/95/1131691595.db2.gz BGDJUGBBKMUTMZ-BMFZPTHFSA-N 1 2 328.485 3.569 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@H+](Cn3nc(C)sc3=S)C2)cc1 ZINC000742155898 1131693751 /nfs/dbraw/zinc/69/37/51/1131693751.db2.gz NKIFOCKKKLUXIS-OAHLLOKOSA-N 1 2 349.525 3.903 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(C)sc3=S)C2)cc1 ZINC000742155898 1131693753 /nfs/dbraw/zinc/69/37/53/1131693753.db2.gz NKIFOCKKKLUXIS-OAHLLOKOSA-N 1 2 349.525 3.903 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000742236784 1131699020 /nfs/dbraw/zinc/69/90/20/1131699020.db2.gz GJZSNUGVGOVBIC-UHFFFAOYSA-N 1 2 346.421 3.570 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000742236784 1131699023 /nfs/dbraw/zinc/69/90/23/1131699023.db2.gz GJZSNUGVGOVBIC-UHFFFAOYSA-N 1 2 346.421 3.570 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742239151 1131699979 /nfs/dbraw/zinc/69/99/79/1131699979.db2.gz QUNYUSCNICSOCK-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742239151 1131699983 /nfs/dbraw/zinc/69/99/83/1131699983.db2.gz QUNYUSCNICSOCK-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3-c3ccncc3)cc2)C1 ZINC001212672276 1131788225 /nfs/dbraw/zinc/78/82/25/1131788225.db2.gz JRKILNZFEWDGCC-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000742857245 1131807902 /nfs/dbraw/zinc/80/79/02/1131807902.db2.gz DOFYHTHUGRRKQY-OEIFXAAASA-N 1 2 349.409 3.673 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721079 1131822106 /nfs/dbraw/zinc/82/21/06/1131822106.db2.gz BKZJBRFIVQUFRS-KRWDZBQOSA-N 1 2 349.883 3.934 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721079 1131822114 /nfs/dbraw/zinc/82/21/14/1131822114.db2.gz BKZJBRFIVQUFRS-KRWDZBQOSA-N 1 2 349.883 3.934 20 0 EHADLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724753 1131825429 /nfs/dbraw/zinc/82/54/29/1131825429.db2.gz ZLCKTPQJNVBECS-SFHVURJKSA-N 1 2 331.456 3.569 20 0 EHADLO CCOc1cccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000742991872 1131826031 /nfs/dbraw/zinc/82/60/31/1131826031.db2.gz GIKXPLWWXNHHMI-INIZCTEOSA-N 1 2 346.500 3.683 20 0 EHADLO Nc1cc(C(F)(F)F)ncc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694084 1131922541 /nfs/dbraw/zinc/92/25/41/1131922541.db2.gz JEZIKZVAPXIATB-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO CN(c1ccc(Cn2cc[nH+]c2)cc1)c1ncc(C(F)(F)F)cc1N ZINC001212694275 1131923036 /nfs/dbraw/zinc/92/30/36/1131923036.db2.gz RTPWIXNNJIKFNW-UHFFFAOYSA-N 1 2 347.344 3.695 20 0 EHADLO O=c1[nH]cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1Br ZINC001212694924 1131924022 /nfs/dbraw/zinc/92/40/22/1131924022.db2.gz DWHWWZAUZGIVSI-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO O=C1CCCN1Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697961 1131937111 /nfs/dbraw/zinc/93/71/11/1131937111.db2.gz DQWNPJJKVFKSLA-UHFFFAOYSA-N 1 2 346.434 3.797 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000743852107 1131986154 /nfs/dbraw/zinc/98/61/54/1131986154.db2.gz LXVRWDNSBOVTTQ-GKCIPKSASA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000743852107 1131986159 /nfs/dbraw/zinc/98/61/59/1131986159.db2.gz LXVRWDNSBOVTTQ-GKCIPKSASA-N 1 2 347.405 3.769 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(OCC3CCCCC3)CC2)o1 ZINC000743853861 1131987642 /nfs/dbraw/zinc/98/76/42/1131987642.db2.gz HPDKAKWHAWOAPX-UHFFFAOYSA-N 1 2 335.492 3.928 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)c2cccc(F)c2)cs1 ZINC000743858286 1131988455 /nfs/dbraw/zinc/98/84/55/1131988455.db2.gz WKOSMEKMJITYCY-MLGOLLRUSA-N 1 2 338.448 3.545 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)c2cccc(F)c2)cs1 ZINC000743858286 1131988464 /nfs/dbraw/zinc/98/84/64/1131988464.db2.gz WKOSMEKMJITYCY-MLGOLLRUSA-N 1 2 338.448 3.545 20 0 EHADLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173343612 1132056420 /nfs/dbraw/zinc/05/64/20/1132056420.db2.gz IYPFPGPOEVSJRC-ZWKOTPCHSA-N 1 2 330.472 3.648 20 0 EHADLO OC1CCN(c2ccc(Nc3cccc(C(F)(F)F)c3)c[nH+]2)CC1 ZINC001173821351 1132145770 /nfs/dbraw/zinc/14/57/70/1132145770.db2.gz DWWZUKFAQMOCSS-UHFFFAOYSA-N 1 2 337.345 3.805 20 0 EHADLO CCc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001173969659 1132187199 /nfs/dbraw/zinc/18/71/99/1132187199.db2.gz OKAYFOBSBQVGBQ-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(Br)ccc1Cl ZINC000745080523 1132195435 /nfs/dbraw/zinc/19/54/35/1132195435.db2.gz SNPAQGIWOQCCIS-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(Br)ccc1Cl ZINC000745080523 1132195439 /nfs/dbraw/zinc/19/54/39/1132195439.db2.gz SNPAQGIWOQCCIS-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO COc1cc(F)ccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001174128927 1132246469 /nfs/dbraw/zinc/24/64/69/1132246469.db2.gz OYAICPUSWVYYBU-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)cc1OC ZINC001174129504 1132246779 /nfs/dbraw/zinc/24/67/79/1132246779.db2.gz CKPVHKWMOVPLIN-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO Cn1c[nH+]c2cc(Nc3cccc(C(=O)N4CCCCC4)c3)ccc21 ZINC001174174714 1132268832 /nfs/dbraw/zinc/26/88/32/1132268832.db2.gz WMTMAMBUOVQGBR-UHFFFAOYSA-N 1 2 334.423 3.943 20 0 EHADLO Cc1ccc2c(Nc3cccc(C(=O)N4CCOCC4)c3)cccc2[nH+]1 ZINC001174181009 1132270174 /nfs/dbraw/zinc/27/01/74/1132270174.db2.gz WQZULYXUVJREFJ-UHFFFAOYSA-N 1 2 347.418 3.759 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001174180219 1132270664 /nfs/dbraw/zinc/27/06/64/1132270664.db2.gz GUWUDKBINWJTQP-UHFFFAOYSA-N 1 2 339.439 3.729 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc4nn(CCO)cc4c3)ccc21 ZINC001174381127 1132344067 /nfs/dbraw/zinc/34/40/67/1132344067.db2.gz GTNRKDSNTKIOTE-UHFFFAOYSA-N 1 2 335.411 3.703 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ncccc3N3CCOCC3)ccc21 ZINC001174382176 1132345150 /nfs/dbraw/zinc/34/51/50/1132345150.db2.gz CKRPMLRJJFCECD-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO Oc1ccc(Cl)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174434347 1132354302 /nfs/dbraw/zinc/35/43/02/1132354302.db2.gz JMBGSARUHRWNET-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1F)CN1C(=O)CC2(CCCC2)C1=O ZINC000746061598 1132355845 /nfs/dbraw/zinc/35/58/45/1132355845.db2.gz GMWHJDPJURTYPB-UHFFFAOYSA-N 1 2 346.446 3.561 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1F)CN1C(=O)CC2(CCCC2)C1=O ZINC000746061598 1132355854 /nfs/dbraw/zinc/35/58/54/1132355854.db2.gz GMWHJDPJURTYPB-UHFFFAOYSA-N 1 2 346.446 3.561 20 0 EHADLO FC(F)(F)Cn1nccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521723 1132399345 /nfs/dbraw/zinc/39/93/45/1132399345.db2.gz CVFJDLXMIXNCDW-UHFFFAOYSA-N 1 2 325.338 3.574 20 0 EHADLO c1csc([C@H]2CSCC[N@H+]2Cc2cccc3cnccc32)n1 ZINC000186630539 1132424275 /nfs/dbraw/zinc/42/42/75/1132424275.db2.gz GSGROURFUOZNIX-MRXNPFEDSA-N 1 2 327.478 3.981 20 0 EHADLO c1csc([C@H]2CSCC[N@@H+]2Cc2cccc3cnccc32)n1 ZINC000186630539 1132424280 /nfs/dbraw/zinc/42/42/80/1132424280.db2.gz GSGROURFUOZNIX-MRXNPFEDSA-N 1 2 327.478 3.981 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1Sc1ccccc1 ZINC000188953407 1132439505 /nfs/dbraw/zinc/43/95/05/1132439505.db2.gz LWEGWGULOCTMED-UHFFFAOYSA-N 1 2 337.448 3.810 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1Sc1ccccc1 ZINC000188953407 1132439510 /nfs/dbraw/zinc/43/95/10/1132439510.db2.gz LWEGWGULOCTMED-UHFFFAOYSA-N 1 2 337.448 3.810 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001174749680 1132466079 /nfs/dbraw/zinc/46/60/79/1132466079.db2.gz RYOULWYLCWRMPI-AEFFLSMTSA-N 1 2 345.483 3.743 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001174749680 1132466084 /nfs/dbraw/zinc/46/60/84/1132466084.db2.gz RYOULWYLCWRMPI-AEFFLSMTSA-N 1 2 345.483 3.743 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C2([NH2+]Cc3cncnc3)CC2)c1 ZINC000191722504 1132466555 /nfs/dbraw/zinc/46/65/55/1132466555.db2.gz CFXZSPLYTHQTGE-UHFFFAOYSA-N 1 2 327.737 3.928 20 0 EHADLO Cc1ccc(SC2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)cc1 ZINC000193470317 1132480640 /nfs/dbraw/zinc/48/06/40/1132480640.db2.gz RNJHBWCQHIBVDJ-UHFFFAOYSA-N 1 2 343.496 3.872 20 0 EHADLO Cc1ccc(SC2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)cc1 ZINC000193470317 1132480644 /nfs/dbraw/zinc/48/06/44/1132480644.db2.gz RNJHBWCQHIBVDJ-UHFFFAOYSA-N 1 2 343.496 3.872 20 0 EHADLO COc1c(C)cc(Nc2ccccc2C[NH+]2CCOCC2)cc1C ZINC001174997508 1132525847 /nfs/dbraw/zinc/52/58/47/1132525847.db2.gz JBLMMPWZLBIWQH-UHFFFAOYSA-N 1 2 326.440 3.888 20 0 EHADLO C[C@H]1c2ccccc2OCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766402922 1132530322 /nfs/dbraw/zinc/53/03/22/1132530322.db2.gz JIHCYSFFKCERDW-ZDUSSCGKSA-N 1 2 337.427 3.541 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000766404790 1132530800 /nfs/dbraw/zinc/53/08/00/1132530800.db2.gz QIDZKQCZWXOWJH-OAHLLOKOSA-N 1 2 335.455 3.884 20 0 EHADLO COc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)cc1C ZINC001174979979 1132534093 /nfs/dbraw/zinc/53/40/93/1132534093.db2.gz LIWALWKULMMXKI-UHFFFAOYSA-N 1 2 333.819 3.632 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1Cc2ccccc2C(F)(F)C1 ZINC000766425374 1132536813 /nfs/dbraw/zinc/53/68/13/1132536813.db2.gz OKNKBYLIPLSDCR-UHFFFAOYSA-N 1 2 343.381 3.693 20 0 EHADLO CCOc1ccc(F)cc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001175079117 1132561406 /nfs/dbraw/zinc/56/14/06/1132561406.db2.gz BSOFSKNSONKTRY-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1c(OC(C)C)ccc3ccccc31)C2 ZINC001175080040 1132561480 /nfs/dbraw/zinc/56/14/80/1132561480.db2.gz QLNUNGDYUIRUOC-UHFFFAOYSA-N 1 2 349.434 3.947 20 0 EHADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1c(OC(C)C)ccc3ccccc31)C2 ZINC001175080040 1132561485 /nfs/dbraw/zinc/56/14/85/1132561485.db2.gz QLNUNGDYUIRUOC-UHFFFAOYSA-N 1 2 349.434 3.947 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cnc(Cl)c(C)c1 ZINC000766521641 1132595923 /nfs/dbraw/zinc/59/59/23/1132595923.db2.gz RAHVYOINFAJHRS-UHFFFAOYSA-N 1 2 330.819 3.652 20 0 EHADLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cc(Cl)ccc1F ZINC001175300374 1132617839 /nfs/dbraw/zinc/61/78/39/1132617839.db2.gz SYIINNKBUKRHSF-UHFFFAOYSA-N 1 2 346.793 3.709 20 0 EHADLO CN(C)c1ccc(Nc2cccc(CNC(=O)OC(C)(C)C)c2)c[nH+]1 ZINC001175345623 1132627368 /nfs/dbraw/zinc/62/73/68/1132627368.db2.gz YVOLJTQKSDHKOO-UHFFFAOYSA-N 1 2 342.443 3.916 20 0 EHADLO CN(C)c1ccc(Nc2ccc(OC3CCOCC3)c(F)c2)c[nH+]1 ZINC001175345809 1132628605 /nfs/dbraw/zinc/62/86/05/1132628605.db2.gz JGZZZBXANJSKMG-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000121331100 1132635086 /nfs/dbraw/zinc/63/50/86/1132635086.db2.gz KMFGMKYKOBCTKT-ZDUSSCGKSA-N 1 2 326.535 3.744 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000121331100 1132635092 /nfs/dbraw/zinc/63/50/92/1132635092.db2.gz KMFGMKYKOBCTKT-ZDUSSCGKSA-N 1 2 326.535 3.744 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)ccc2cccnc21)c1nnc2ccccn21 ZINC001169024355 1132640695 /nfs/dbraw/zinc/64/06/95/1132640695.db2.gz LQSOOUZNLWOLRZ-GFCCVEGCSA-N 1 2 337.814 3.782 20 0 EHADLO CN(C)c1ccc(Nc2cc(Cl)cnc2Br)c[nH+]1 ZINC001175338609 1132643016 /nfs/dbraw/zinc/64/30/16/1132643016.db2.gz IWGGXDMUZUDSJP-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175353236 1132647264 /nfs/dbraw/zinc/64/72/64/1132647264.db2.gz YCJVGGRCUTXGEX-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO Brc1cc(Nc2ccc3nccnc3c2)c2[nH+]ccn2c1 ZINC001175487067 1132681322 /nfs/dbraw/zinc/68/13/22/1132681322.db2.gz LJWNNVMRAITVJR-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001169158221 1132681990 /nfs/dbraw/zinc/68/19/90/1132681990.db2.gz DPRCJXMJUSVLMZ-NQIIRXRSSA-N 1 2 349.409 3.551 20 0 EHADLO Cc1cc(C)c(Nc2ccc3cc(NS(C)(=O)=O)ccc3c2)c[nH+]1 ZINC001175530479 1132701458 /nfs/dbraw/zinc/70/14/58/1132701458.db2.gz GDBLGPHRJIIRKG-UHFFFAOYSA-N 1 2 341.436 3.967 20 0 EHADLO CC(=O)OCc1cccc(C)c1Nc1[nH+]cccc1N1CCCC1 ZINC001212770071 1132710965 /nfs/dbraw/zinc/71/09/65/1132710965.db2.gz MEHQMQPCXWAIMX-UHFFFAOYSA-N 1 2 325.412 3.797 20 0 EHADLO CCN1CC[NH+](Cc2ccc(Nc3ccc4[nH]nc(C)c4c3)cc2)CC1 ZINC001175699784 1132730927 /nfs/dbraw/zinc/73/09/27/1132730927.db2.gz RQZJJWPCDMQWOO-UHFFFAOYSA-N 1 2 349.482 3.752 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC001169343890 1132730963 /nfs/dbraw/zinc/73/09/63/1132730963.db2.gz ZRLIOCZBOFVYBM-UHFFFAOYSA-N 1 2 332.488 3.812 20 0 EHADLO Nc1cn2ccc(NCCCc3ccc(C(F)(F)F)cc3)cc2[nH+]1 ZINC001169356000 1132731371 /nfs/dbraw/zinc/73/13/71/1132731371.db2.gz HHFAUKLHOANJLR-UHFFFAOYSA-N 1 2 334.345 3.980 20 0 EHADLO COC(=O)c1cc(C)c(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713314 1132740691 /nfs/dbraw/zinc/74/06/91/1132740691.db2.gz CARARJFVTZXCEE-UHFFFAOYSA-N 1 2 343.280 3.660 20 0 EHADLO CC(C)c1c(Cl)ncnc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712125 1132740716 /nfs/dbraw/zinc/74/07/16/1132740716.db2.gz GDQDXPYBGUCCSC-UHFFFAOYSA-N 1 2 331.729 3.993 20 0 EHADLO COC(=O)c1cc(C)c(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715221 1132741539 /nfs/dbraw/zinc/74/15/39/1132741539.db2.gz DJIOPMUGKSOMGE-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO CCOC(=O)[C@H]1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404904 1132741839 /nfs/dbraw/zinc/74/18/39/1132741839.db2.gz QPQMGHSJBPXDDC-XHDPSFHLSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)[C@H]1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404904 1132741844 /nfs/dbraw/zinc/74/18/44/1132741844.db2.gz QPQMGHSJBPXDDC-XHDPSFHLSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175714217 1132742195 /nfs/dbraw/zinc/74/21/95/1132742195.db2.gz UPHBIQQASXMUAU-UHFFFAOYSA-N 1 2 343.280 3.742 20 0 EHADLO OCC[C@@H](Nc1[nH+]cnc2[nH]cc(F)c21)c1cccc2ccccc21 ZINC001169418607 1132749228 /nfs/dbraw/zinc/74/92/28/1132749228.db2.gz KDBRLZFUHUJNCF-MRXNPFEDSA-N 1 2 336.370 3.786 20 0 EHADLO CCN(C)c1cc(N[C@@H](CCO)c2cccc3ccccc32)[nH+]cn1 ZINC001169421353 1132749984 /nfs/dbraw/zinc/74/99/84/1132749984.db2.gz AFARPPBEZPYIFK-SFHVURJKSA-N 1 2 336.439 3.622 20 0 EHADLO CCN(C)c1cc(N[C@@H](CCO)c2cccc3ccccc32)nc[nH+]1 ZINC001169421353 1132749990 /nfs/dbraw/zinc/74/99/90/1132749990.db2.gz AFARPPBEZPYIFK-SFHVURJKSA-N 1 2 336.439 3.622 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccnc2Br)c[nH+]1 ZINC001175709408 1132754132 /nfs/dbraw/zinc/75/41/32/1132754132.db2.gz AAHKNTIUBKZWSI-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO Cc1cc(Br)nc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175707195 1132754145 /nfs/dbraw/zinc/75/41/45/1132754145.db2.gz ZLMHZVQUNQOBJY-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO CCc1ccc(-c2ccc([N@@H+]3C=CC(=NC(C)=O)C(N)=C3)cc2)cc1 ZINC001175762868 1132759945 /nfs/dbraw/zinc/75/99/45/1132759945.db2.gz NGFUXDAEUSCNCN-UHFFFAOYSA-N 1 2 331.419 3.736 20 0 EHADLO CCc1ccc(-c2ccc([N@H+]3C=CC(=NC(C)=O)C(N)=C3)cc2)cc1 ZINC001175762868 1132759951 /nfs/dbraw/zinc/75/99/51/1132759951.db2.gz NGFUXDAEUSCNCN-UHFFFAOYSA-N 1 2 331.419 3.736 20 0 EHADLO Cn1nc(C(C)(C)C)cc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212771420 1132776388 /nfs/dbraw/zinc/77/63/88/1132776388.db2.gz NLENLVSIVDNREY-UHFFFAOYSA-N 1 2 348.410 3.620 20 0 EHADLO Oc1cccc2sc(Nc3cccc(C[NH+]4CCOCC4)c3)nc21 ZINC001175857643 1132785860 /nfs/dbraw/zinc/78/58/60/1132785860.db2.gz FOEGURPSLRAMFT-UHFFFAOYSA-N 1 2 341.436 3.578 20 0 EHADLO Cc1c(NC[C@H]2COCC[N@H+]2C)ccc(OCc2ccccc2)c1C ZINC001169659727 1132812405 /nfs/dbraw/zinc/81/24/05/1132812405.db2.gz IWCAIZFELWQISJ-IBGZPJMESA-N 1 2 340.467 3.625 20 0 EHADLO Cc1c(NC[C@H]2COCC[N@@H+]2C)ccc(OCc2ccccc2)c1C ZINC001169659727 1132812413 /nfs/dbraw/zinc/81/24/13/1132812413.db2.gz IWCAIZFELWQISJ-IBGZPJMESA-N 1 2 340.467 3.625 20 0 EHADLO Clc1ccc2[nH+]ccc(Nc3cccc(N4CCOCC4)c3)c2c1 ZINC001176014434 1132820262 /nfs/dbraw/zinc/82/02/62/1132820262.db2.gz LXYZIOQRPBQVLG-UHFFFAOYSA-N 1 2 339.826 3.890 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2Cc2sncc2Br)[nH+]c1C ZINC001176076296 1132830103 /nfs/dbraw/zinc/83/01/03/1132830103.db2.gz CYBXJVYPCQVVIY-LLVKDONJSA-N 1 2 341.278 3.583 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1F ZINC001206020468 1132845509 /nfs/dbraw/zinc/84/55/09/1132845509.db2.gz SDJZMKWYQXYYQB-UHFFFAOYSA-N 1 2 325.767 3.637 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1F ZINC001206020468 1132845514 /nfs/dbraw/zinc/84/55/14/1132845514.db2.gz SDJZMKWYQXYYQB-UHFFFAOYSA-N 1 2 325.767 3.637 20 0 EHADLO COc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(F)cc1F ZINC001176106810 1132848913 /nfs/dbraw/zinc/84/89/13/1132848913.db2.gz IQOYDMRSSKHPNG-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO COC(=O)c1c(C(F)(F)F)csc1Nc1c[nH+]ccc1OC ZINC001176118602 1132852330 /nfs/dbraw/zinc/85/23/30/1132852330.db2.gz JRCXONFHOBQOSF-UHFFFAOYSA-N 1 2 332.303 3.701 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)cc(I)c1 ZINC001176122789 1132853806 /nfs/dbraw/zinc/85/38/06/1132853806.db2.gz IIUJBXZCPMEFLM-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO Cc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)c(N(C)C)[nH+]1 ZINC000766833787 1132858804 /nfs/dbraw/zinc/85/88/04/1132858804.db2.gz DHXIGSJZJZHIMH-UHFFFAOYSA-N 1 2 329.366 3.763 20 0 EHADLO CC(C)COc1cc(NCc2cccnc2N2CCCC2)cc[nH+]1 ZINC001169859279 1132874782 /nfs/dbraw/zinc/87/47/82/1132874782.db2.gz CPMLUVIVNFQKCC-UHFFFAOYSA-N 1 2 326.444 3.724 20 0 EHADLO O=C(/C=C/C1CCCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001169906127 1132894590 /nfs/dbraw/zinc/89/45/90/1132894590.db2.gz YKCJMVYNVLYFMW-MDZDMXLPSA-N 1 2 337.467 3.559 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000767066957 1132940704 /nfs/dbraw/zinc/94/07/04/1132940704.db2.gz BGQBELINVBYQSM-SFHVURJKSA-N 1 2 339.439 3.711 20 0 EHADLO FC(F)(F)Oc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001176639999 1132974549 /nfs/dbraw/zinc/97/45/49/1132974549.db2.gz IJDXMMZFIQZRBH-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO CC(C)(C)Oc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001176637671 1132974838 /nfs/dbraw/zinc/97/48/38/1132974838.db2.gz WPBDUQBASGPSRQ-UHFFFAOYSA-N 1 2 341.455 3.964 20 0 EHADLO COc1ccc(Cn2nccc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176744296 1132990990 /nfs/dbraw/zinc/99/09/90/1132990990.db2.gz SJXOAMNKPCGXDW-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO Cc1cc(Br)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743819 1132991382 /nfs/dbraw/zinc/99/13/82/1132991382.db2.gz NSANJCMQCPBTSR-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CCC1(CC)C[N@H+](Cn2c(=O)sc3c2CC[C@H](C)C3)CCS1 ZINC000767479686 1133008849 /nfs/dbraw/zinc/00/88/49/1133008849.db2.gz OWHASAUPUOTIQZ-ZDUSSCGKSA-N 1 2 340.558 3.600 20 0 EHADLO CCC1(CC)C[N@@H+](Cn2c(=O)sc3c2CC[C@H](C)C3)CCS1 ZINC000767479686 1133008853 /nfs/dbraw/zinc/00/88/53/1133008853.db2.gz OWHASAUPUOTIQZ-ZDUSSCGKSA-N 1 2 340.558 3.600 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001176973328 1133017045 /nfs/dbraw/zinc/01/70/45/1133017045.db2.gz HPEIPZNNVNGPRU-QZTJIDSGSA-N 1 2 337.467 3.792 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177629938 1133088837 /nfs/dbraw/zinc/08/88/37/1133088837.db2.gz XKUXHORQKIFMBO-GOSISDBHSA-N 1 2 328.387 3.899 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177629938 1133088843 /nfs/dbraw/zinc/08/88/43/1133088843.db2.gz XKUXHORQKIFMBO-GOSISDBHSA-N 1 2 328.387 3.899 20 0 EHADLO Cc1ccc2[nH]c(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)nc2c1 ZINC001129384035 1133090844 /nfs/dbraw/zinc/09/08/44/1133090844.db2.gz BZPLDZWXCHKLOJ-INIZCTEOSA-N 1 2 342.830 3.766 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)[nH]c2c1 ZINC001129384035 1133090850 /nfs/dbraw/zinc/09/08/50/1133090850.db2.gz BZPLDZWXCHKLOJ-INIZCTEOSA-N 1 2 342.830 3.766 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1OC ZINC000768169194 1133104398 /nfs/dbraw/zinc/10/43/98/1133104398.db2.gz RXTKEYFCWJYHSO-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1OC ZINC000768169194 1133104401 /nfs/dbraw/zinc/10/44/01/1133104401.db2.gz RXTKEYFCWJYHSO-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001177870573 1133105321 /nfs/dbraw/zinc/10/53/21/1133105321.db2.gz LILOGUPYRSVLIV-MRXNPFEDSA-N 1 2 340.448 3.642 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000768236808 1133116450 /nfs/dbraw/zinc/11/64/50/1133116450.db2.gz GZCDZBLMHICDCC-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncc2ccccc21 ZINC000768236808 1133116454 /nfs/dbraw/zinc/11/64/54/1133116454.db2.gz GZCDZBLMHICDCC-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001177996261 1133122100 /nfs/dbraw/zinc/12/21/00/1133122100.db2.gz AKSWNTOYFPCAKV-UHFFFAOYSA-N 1 2 326.787 3.696 20 0 EHADLO CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc21 ZINC001178196067 1133141765 /nfs/dbraw/zinc/14/17/65/1133141765.db2.gz MWTLORQZPBRTBR-MRXNPFEDSA-N 1 2 327.453 3.608 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001178406783 1133166655 /nfs/dbraw/zinc/16/66/55/1133166655.db2.gz YFLPCUGOGCLOFZ-UHFFFAOYSA-N 1 2 325.343 3.533 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@@H](C)c3ccccn3)cc12 ZINC000768744406 1133176596 /nfs/dbraw/zinc/17/65/96/1133176596.db2.gz YTXLULFBFDEEGA-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@@H](C)c3ccccn3)cc12 ZINC000768744406 1133176600 /nfs/dbraw/zinc/17/66/00/1133176600.db2.gz YTXLULFBFDEEGA-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2ccccn21)C[C@H]1OCCc2ccccc21 ZINC000769024728 1133215188 /nfs/dbraw/zinc/21/51/88/1133215188.db2.gz SNURKBGGBZASPG-QGZVFWFLSA-N 1 2 341.842 3.734 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2ccccn21)C[C@H]1OCCc2ccccc21 ZINC000769024728 1133215193 /nfs/dbraw/zinc/21/51/93/1133215193.db2.gz SNURKBGGBZASPG-QGZVFWFLSA-N 1 2 341.842 3.734 20 0 EHADLO Brc1ccc2ncc(CNc3cc4cc[nH]c4c[nH+]3)n2c1 ZINC001179044918 1133222446 /nfs/dbraw/zinc/22/24/46/1133222446.db2.gz UKLIKAPMXCSKIN-UHFFFAOYSA-N 1 2 342.200 3.585 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)[nH+]1 ZINC001179092441 1133226942 /nfs/dbraw/zinc/22/69/42/1133226942.db2.gz NWEBYHCLKDRTHT-UHFFFAOYSA-N 1 2 344.802 3.772 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)c[nH+]1 ZINC001179092441 1133226946 /nfs/dbraw/zinc/22/69/46/1133226946.db2.gz NWEBYHCLKDRTHT-UHFFFAOYSA-N 1 2 344.802 3.772 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1 ZINC001179092392 1133226985 /nfs/dbraw/zinc/22/69/85/1133226985.db2.gz MAJVJMCWUIXDGU-UHFFFAOYSA-N 1 2 329.444 3.660 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1 ZINC001179092392 1133226989 /nfs/dbraw/zinc/22/69/89/1133226989.db2.gz MAJVJMCWUIXDGU-UHFFFAOYSA-N 1 2 329.444 3.660 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769244476 1133250218 /nfs/dbraw/zinc/25/02/18/1133250218.db2.gz OOLKIWHMGOCGLR-QGZVFWFLSA-N 1 2 339.395 3.575 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769244476 1133250221 /nfs/dbraw/zinc/25/02/21/1133250221.db2.gz OOLKIWHMGOCGLR-QGZVFWFLSA-N 1 2 339.395 3.575 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NC/C=C\c1ccc(F)cc1 ZINC001179489798 1133254653 /nfs/dbraw/zinc/25/46/53/1133254653.db2.gz VORIGCZWGOZFIF-PLNGDYQASA-N 1 2 325.387 3.947 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cnc1Cl ZINC000769450860 1133292597 /nfs/dbraw/zinc/29/25/97/1133292597.db2.gz BKEBJWBQBTXZEY-QGZVFWFLSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cnc1Cl ZINC000769450860 1133292602 /nfs/dbraw/zinc/29/26/02/1133292602.db2.gz BKEBJWBQBTXZEY-QGZVFWFLSA-N 1 2 343.858 3.671 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)o1 ZINC000769461171 1133295154 /nfs/dbraw/zinc/29/51/54/1133295154.db2.gz QETCMZGJFXAICW-RHSMWYFYSA-N 1 2 345.874 3.769 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1nc(Cl)c2ccccc21 ZINC000769647000 1133324812 /nfs/dbraw/zinc/32/48/12/1133324812.db2.gz FRKZWNUSHIFVKP-HNNXBMFYSA-N 1 2 329.835 3.526 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1nc(Cl)c2ccccc21 ZINC000769647000 1133324816 /nfs/dbraw/zinc/32/48/16/1133324816.db2.gz FRKZWNUSHIFVKP-HNNXBMFYSA-N 1 2 329.835 3.526 20 0 EHADLO CCOC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001180238825 1133348794 /nfs/dbraw/zinc/34/87/94/1133348794.db2.gz CMSQXWAUPMAPBX-UHFFFAOYSA-N 1 2 342.226 3.525 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001180238825 1133348799 /nfs/dbraw/zinc/34/87/99/1133348799.db2.gz CMSQXWAUPMAPBX-UHFFFAOYSA-N 1 2 342.226 3.525 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001180326091 1133362101 /nfs/dbraw/zinc/36/21/01/1133362101.db2.gz GUYBGTRISIXQJK-SFHVURJKSA-N 1 2 333.863 3.691 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001180326091 1133362105 /nfs/dbraw/zinc/36/21/05/1133362105.db2.gz GUYBGTRISIXQJK-SFHVURJKSA-N 1 2 333.863 3.691 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NCc1ccccn1 ZINC000770001596 1133376457 /nfs/dbraw/zinc/37/64/57/1133376457.db2.gz OAXRAIGGXGSKAH-GOSISDBHSA-N 1 2 343.858 3.578 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NCc1ccccn1 ZINC000770001596 1133376462 /nfs/dbraw/zinc/37/64/62/1133376462.db2.gz OAXRAIGGXGSKAH-GOSISDBHSA-N 1 2 343.858 3.578 20 0 EHADLO O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccc2[nH+]ccn21 ZINC000770059035 1133378088 /nfs/dbraw/zinc/37/80/88/1133378088.db2.gz UVOJFMIRLSCMFQ-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO Cc1cc(Br)c(F)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770052420 1133382439 /nfs/dbraw/zinc/38/24/39/1133382439.db2.gz YUAURBMKALUJKZ-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc2[nH+]ccn21 ZINC000770075016 1133383917 /nfs/dbraw/zinc/38/39/17/1133383917.db2.gz OFHCKOCCFXUVPX-UHFFFAOYSA-N 1 2 348.337 3.913 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2csc(C)c2C)CC1 ZINC001180574107 1133387933 /nfs/dbraw/zinc/38/79/33/1133387933.db2.gz KBVUXMFGLKOCPK-UHFFFAOYSA-N 1 2 344.524 4.000 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)cc1F ZINC001180795620 1133413375 /nfs/dbraw/zinc/41/33/75/1133413375.db2.gz XKXQKLNPEMMEBE-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3ccc(C(=O)OC)cc3C2)cc1F ZINC001180795620 1133413379 /nfs/dbraw/zinc/41/33/79/1133413379.db2.gz XKXQKLNPEMMEBE-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO Fc1cc2c(c(F)c1)[C@H]([NH2+]Cc1cc3c(ccnc3Cl)o1)CO2 ZINC001180818899 1133418544 /nfs/dbraw/zinc/41/85/44/1133418544.db2.gz DDRQMUFVDDNAMJ-GFCCVEGCSA-N 1 2 336.725 3.983 20 0 EHADLO Cc1csc2nc(C)c(C[N@H+]3Cc4ccccc4OC[C@@H]3C)n12 ZINC001180810355 1133418961 /nfs/dbraw/zinc/41/89/61/1133418961.db2.gz LKOHRKGAALMDOS-LBPRGKRZSA-N 1 2 327.453 3.796 20 0 EHADLO Cc1csc2nc(C)c(C[N@@H+]3Cc4ccccc4OC[C@@H]3C)n12 ZINC001180810355 1133418962 /nfs/dbraw/zinc/41/89/62/1133418962.db2.gz LKOHRKGAALMDOS-LBPRGKRZSA-N 1 2 327.453 3.796 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(-c2cccnc2)cc1 ZINC000770433449 1133429710 /nfs/dbraw/zinc/42/97/10/1133429710.db2.gz FLKYTHFCNXGQIZ-HNNXBMFYSA-N 1 2 342.402 3.887 20 0 EHADLO C[C@H]1CC[N@H+](Cn2nc(N3CCCC3)sc2=S)CC12CCC2 ZINC000770668758 1133456674 /nfs/dbraw/zinc/45/66/74/1133456674.db2.gz AWOJNPNTVVTICH-ZDUSSCGKSA-N 1 2 338.546 3.744 20 0 EHADLO C[C@H]1CC[N@@H+](Cn2nc(N3CCCC3)sc2=S)CC12CCC2 ZINC000770668758 1133456677 /nfs/dbraw/zinc/45/66/77/1133456677.db2.gz AWOJNPNTVVTICH-ZDUSSCGKSA-N 1 2 338.546 3.744 20 0 EHADLO Nc1cc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC001181265795 1133473970 /nfs/dbraw/zinc/47/39/70/1133473970.db2.gz VZQBZKKBSOCZKF-UHFFFAOYSA-N 1 2 345.446 3.545 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770911244 1133480716 /nfs/dbraw/zinc/48/07/16/1133480716.db2.gz QRCQULABRJYIQI-UHFFFAOYSA-N 1 2 333.347 3.655 20 0 EHADLO COC(=O)c1cccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)c1 ZINC001181554854 1133500111 /nfs/dbraw/zinc/50/01/11/1133500111.db2.gz GWGCIGSKAKNXIX-UHFFFAOYSA-N 1 2 325.742 3.695 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ncccc1C(F)(F)F ZINC000771119059 1133507302 /nfs/dbraw/zinc/50/73/02/1133507302.db2.gz XQCNWNACFJYURG-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(SC)cc(C)nc1SC ZINC001181992744 1133559094 /nfs/dbraw/zinc/55/90/94/1133559094.db2.gz ADFGUPQQBYPGIR-GFCCVEGCSA-N 1 2 339.530 3.647 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(SC)cc(C)nc1SC ZINC001181992744 1133559099 /nfs/dbraw/zinc/55/90/99/1133559099.db2.gz ADFGUPQQBYPGIR-GFCCVEGCSA-N 1 2 339.530 3.647 20 0 EHADLO CC(C(=O)NCCOc1cc[nH+]cc1)(c1ccccc1)c1ccccc1 ZINC001182146415 1133578168 /nfs/dbraw/zinc/57/81/68/1133578168.db2.gz KWSDKYDIFDJPNE-UHFFFAOYSA-N 1 2 346.430 3.583 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1CC(F)(C2CC2)C1)c1ccccc1Cl ZINC001182219501 1133599085 /nfs/dbraw/zinc/59/90/85/1133599085.db2.gz UDIBMDLULJGWBT-MRXNPFEDSA-N 1 2 338.854 3.683 20 0 EHADLO Cn1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)n1 ZINC001182246957 1133600673 /nfs/dbraw/zinc/60/06/73/1133600673.db2.gz ZBRXNVWJAZWYFU-KRWDZBQOSA-N 1 2 346.862 3.629 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000771959241 1133620846 /nfs/dbraw/zinc/62/08/46/1133620846.db2.gz SPKXIYZLRIXUPZ-LLVKDONJSA-N 1 2 327.211 3.612 20 0 EHADLO O[C@H](CNc1[nH+]cnc2[nH]cc(F)c21)c1c(Cl)cccc1Cl ZINC001170039110 1133648954 /nfs/dbraw/zinc/64/89/54/1133648954.db2.gz IMIHDGHEGQWPPH-SNVBAGLBSA-N 1 2 341.173 3.549 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1)[NH+](C)C ZINC000785588796 1133722947 /nfs/dbraw/zinc/72/29/47/1133722947.db2.gz SRQRPXOPNMIGRZ-LBPRGKRZSA-N 1 2 346.431 3.630 20 0 EHADLO CC(C)(C(=O)Nc1cccc2[nH+]ccn21)c1ccc(C(=O)C2CC2)cc1 ZINC001183029112 1133759119 /nfs/dbraw/zinc/75/91/19/1133759119.db2.gz YDRYBHKHMRIPOH-UHFFFAOYSA-N 1 2 347.418 3.843 20 0 EHADLO CC(C)n1cc2c(n1)[C@H](Nc1cc(NCC3CC3)[nH+]cn1)CCC2 ZINC000785843929 1133764290 /nfs/dbraw/zinc/76/42/90/1133764290.db2.gz KQBVOURCFZYIGC-OAHLLOKOSA-N 1 2 326.448 3.565 20 0 EHADLO CC(C)n1cc2c(n1)[C@H](Nc1cc(NCC3CC3)nc[nH+]1)CCC2 ZINC000785843929 1133764299 /nfs/dbraw/zinc/76/42/99/1133764299.db2.gz KQBVOURCFZYIGC-OAHLLOKOSA-N 1 2 326.448 3.565 20 0 EHADLO Fc1ccc(Oc2cccc(C[N@@H+]3CCc4ncncc4C3)c2)cc1 ZINC001183490566 1133809575 /nfs/dbraw/zinc/80/95/75/1133809575.db2.gz IVSOQKYCMLOBGE-UHFFFAOYSA-N 1 2 335.382 3.966 20 0 EHADLO Fc1ccc(Oc2cccc(C[N@H+]3CCc4ncncc4C3)c2)cc1 ZINC001183490566 1133809583 /nfs/dbraw/zinc/80/95/83/1133809583.db2.gz IVSOQKYCMLOBGE-UHFFFAOYSA-N 1 2 335.382 3.966 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCOCC[C@H]3C)c2=S)c1 ZINC000774650983 1133829018 /nfs/dbraw/zinc/82/90/18/1133829018.db2.gz STTBAMBXINCEBH-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCOCC[C@H]3C)c2=S)c1 ZINC000774650983 1133829027 /nfs/dbraw/zinc/82/90/27/1133829027.db2.gz STTBAMBXINCEBH-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)[C@H]1c1ccccc1 ZINC000774677799 1133851844 /nfs/dbraw/zinc/85/18/44/1133851844.db2.gz WWTCYSTVRDDWEE-OXQOHEQNSA-N 1 2 332.447 3.711 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)[C@H]1c1ccccc1 ZINC000774677799 1133851855 /nfs/dbraw/zinc/85/18/55/1133851855.db2.gz WWTCYSTVRDDWEE-OXQOHEQNSA-N 1 2 332.447 3.711 20 0 EHADLO C[C@H](CC(=O)OCc1cc[nH+]c(N(C)C)c1)c1c[nH]c2ccccc21 ZINC000786489855 1133854445 /nfs/dbraw/zinc/85/44/45/1133854445.db2.gz XRIIQCDAAYHOKK-CQSZACIVSA-N 1 2 337.423 3.866 20 0 EHADLO CC(C)c1nc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c[nH]1 ZINC000072962635 1133876148 /nfs/dbraw/zinc/87/61/48/1133876148.db2.gz QULNMZMXKJKPJE-UHFFFAOYSA-N 1 2 349.438 3.985 20 0 EHADLO COC(=O)CCc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000786575915 1133877123 /nfs/dbraw/zinc/87/71/23/1133877123.db2.gz DLCKUDHIUNPAOV-UHFFFAOYSA-N 1 2 341.436 3.652 20 0 EHADLO CC(C)(C)n1c2ccccc2[nH+]c1N[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001184452811 1133942779 /nfs/dbraw/zinc/94/27/79/1133942779.db2.gz UEWVNVGBYWLYHK-KBPBESRZSA-N 1 2 347.434 3.837 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000787078818 1133946670 /nfs/dbraw/zinc/94/66/70/1133946670.db2.gz GEICAEHLHTYNCZ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000787078818 1133946675 /nfs/dbraw/zinc/94/66/75/1133946675.db2.gz GEICAEHLHTYNCZ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CCC1CCC([N@H+](Cn2nc3c(cc2=O)CCCC3)C2CC2)CC1 ZINC000746657646 1133965334 /nfs/dbraw/zinc/96/53/34/1133965334.db2.gz NFIIOYVHJCHPOI-UHFFFAOYSA-N 1 2 329.488 3.513 20 0 EHADLO CCC1CCC([N@@H+](Cn2nc3c(cc2=O)CCCC3)C2CC2)CC1 ZINC000746657646 1133965339 /nfs/dbraw/zinc/96/53/39/1133965339.db2.gz NFIIOYVHJCHPOI-UHFFFAOYSA-N 1 2 329.488 3.513 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000787273662 1133988155 /nfs/dbraw/zinc/98/81/55/1133988155.db2.gz GFLQXNBKRUDXKF-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000787273662 1133988161 /nfs/dbraw/zinc/98/81/61/1133988161.db2.gz GFLQXNBKRUDXKF-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000787438547 1134003542 /nfs/dbraw/zinc/00/35/42/1134003542.db2.gz BJQWRECLJPCSFC-INIZCTEOSA-N 1 2 331.412 3.748 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000787438547 1134003549 /nfs/dbraw/zinc/00/35/49/1134003549.db2.gz BJQWRECLJPCSFC-INIZCTEOSA-N 1 2 331.412 3.748 20 0 EHADLO Nc1ccc(OC(F)(F)F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184964264 1134008242 /nfs/dbraw/zinc/00/82/42/1134008242.db2.gz KDPLPNWPXQHGDZ-UHFFFAOYSA-N 1 2 338.333 3.906 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1nc(-c2ccccc2)no1 ZINC000746694559 1134016346 /nfs/dbraw/zinc/01/63/46/1134016346.db2.gz QHWYDUMCVFAMCL-UHFFFAOYSA-N 1 2 342.786 3.631 20 0 EHADLO CC(C)(C)C1CCC(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001273497459 1134024489 /nfs/dbraw/zinc/02/44/89/1134024489.db2.gz VVLKOAYSKYAGRV-UHFFFAOYSA-N 1 2 343.515 3.511 20 0 EHADLO COCCOc1c(F)cc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185044582 1134024913 /nfs/dbraw/zinc/02/49/13/1134024913.db2.gz URCMRXMXNONRDP-UHFFFAOYSA-N 1 2 349.381 3.729 20 0 EHADLO Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185044599 1134025016 /nfs/dbraw/zinc/02/50/16/1134025016.db2.gz VKVUQLDBVDMFNP-UHFFFAOYSA-N 1 2 336.439 3.626 20 0 EHADLO COC(=O)c1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)nn1 ZINC001185180670 1134044234 /nfs/dbraw/zinc/04/42/34/1134044234.db2.gz QFYLPAHZYJJRMW-UHFFFAOYSA-N 1 2 326.400 3.609 20 0 EHADLO O=C(Nc1cc(Cl)nc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000787939725 1134061282 /nfs/dbraw/zinc/06/12/82/1134061282.db2.gz WIZDGVMFLSEUJJ-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(F)c(F)c1F ZINC001185330560 1134072859 /nfs/dbraw/zinc/07/28/59/1134072859.db2.gz YGSYEDGVXDLENG-UHFFFAOYSA-N 1 2 346.312 3.993 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cccc(F)c1 ZINC000788241937 1134099159 /nfs/dbraw/zinc/09/91/59/1134099159.db2.gz IYSMTBNCPASKGE-INIZCTEOSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cccc(F)c1 ZINC000788241937 1134099162 /nfs/dbraw/zinc/09/91/62/1134099162.db2.gz IYSMTBNCPASKGE-INIZCTEOSA-N 1 2 341.430 3.884 20 0 EHADLO S=C(NC1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788339264 1134111202 /nfs/dbraw/zinc/11/12/02/1134111202.db2.gz WEYIGYWMAWWFGM-UHFFFAOYSA-N 1 2 346.544 3.606 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3)C2)n[nH]1 ZINC000774912409 1134119067 /nfs/dbraw/zinc/11/90/67/1134119067.db2.gz NLQUSQPPQMWWQF-CQSZACIVSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3)C2)n[nH]1 ZINC000774912409 1134119073 /nfs/dbraw/zinc/11/90/73/1134119073.db2.gz NLQUSQPPQMWWQF-CQSZACIVSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000774914885 1134122824 /nfs/dbraw/zinc/12/28/24/1134122824.db2.gz XMHDDSQEHIRGIQ-AZUAARDMSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000774914885 1134122825 /nfs/dbraw/zinc/12/28/25/1134122825.db2.gz XMHDDSQEHIRGIQ-AZUAARDMSA-N 1 2 345.870 3.973 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(-c3cc[nH]n3)o1)CCC2 ZINC000788521827 1134137320 /nfs/dbraw/zinc/13/73/20/1134137320.db2.gz FJXZJLDCCFQIAE-INIZCTEOSA-N 1 2 325.416 3.614 20 0 EHADLO CCCOc1ncccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788562060 1134143211 /nfs/dbraw/zinc/14/32/11/1134143211.db2.gz FMDXALWQXBGZAV-INIZCTEOSA-N 1 2 332.831 3.885 20 0 EHADLO CCOc1cccc(CCNc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001185857439 1134144427 /nfs/dbraw/zinc/14/44/27/1134144427.db2.gz ONJXFZGDPHSYHN-UHFFFAOYSA-N 1 2 332.407 3.936 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC001185916424 1134151641 /nfs/dbraw/zinc/15/16/41/1134151641.db2.gz PTMYRKGEYJLGRV-HNNXBMFYSA-N 1 2 344.286 3.838 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000788836563 1134179318 /nfs/dbraw/zinc/17/93/18/1134179318.db2.gz HILMBNSZOSKVAL-HNNXBMFYSA-N 1 2 341.455 3.631 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000788960039 1134195658 /nfs/dbraw/zinc/19/56/58/1134195658.db2.gz AZAYQZVOEPZVSS-YZAALYTESA-N 1 2 340.389 3.712 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000788960039 1134195660 /nfs/dbraw/zinc/19/56/60/1134195660.db2.gz AZAYQZVOEPZVSS-YZAALYTESA-N 1 2 340.389 3.712 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155021871 1134244156 /nfs/dbraw/zinc/24/41/56/1134244156.db2.gz PKAIRHLKVXRNDH-CQSZACIVSA-N 1 2 344.846 3.834 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc([C@@H]2CCCOC2)cc1 ZINC000780446220 1134252568 /nfs/dbraw/zinc/25/25/68/1134252568.db2.gz BHFMRMSZIVPOEO-QGZVFWFLSA-N 1 2 336.391 3.585 20 0 EHADLO Cc1cc(N2CCCC[C@H]2CC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001187026005 1134283609 /nfs/dbraw/zinc/28/36/09/1134283609.db2.gz VWSHNAHDCPHOPN-HNNXBMFYSA-N 1 2 331.460 3.753 20 0 EHADLO c1ccc(-c2cccnc2)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC001170111135 1134297112 /nfs/dbraw/zinc/29/71/12/1134297112.db2.gz HDWBMLCTVHNBBC-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO c1ccc(-c2cccnc2)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC001170111135 1134297118 /nfs/dbraw/zinc/29/71/18/1134297118.db2.gz HDWBMLCTVHNBBC-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170767 1134310717 /nfs/dbraw/zinc/31/07/17/1134310717.db2.gz XPKFWNSKNVLXSP-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO CCOC(=O)c1c(Nc2cc(C)c[nH+]c2C)sc2c1CCOC2 ZINC001203656449 1134311400 /nfs/dbraw/zinc/31/14/00/1134311400.db2.gz UBFWLGJVEPNTIP-UHFFFAOYSA-N 1 2 332.425 3.753 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001187375779 1134329267 /nfs/dbraw/zinc/32/92/67/1134329267.db2.gz MOLPFESSXBRRIG-UHFFFAOYSA-N 1 2 327.428 3.715 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3n[nH]c4c3CCCCC4)c2)[nH+]c1C ZINC000789744304 1134330906 /nfs/dbraw/zinc/33/09/06/1134330906.db2.gz RPHGQUAZXIKBJK-UHFFFAOYSA-N 1 2 349.438 3.938 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000789776761 1134332997 /nfs/dbraw/zinc/33/29/97/1134332997.db2.gz NERDGARBEDXVKS-UHFFFAOYSA-N 1 2 338.432 3.647 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3ccc(F)c(Cl)c3)n2c1 ZINC001187705361 1134371276 /nfs/dbraw/zinc/37/12/76/1134371276.db2.gz CTSBQWQPAFMLAP-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CCc3nccs3)c2)[nH+]c1C ZINC000746882972 1134375056 /nfs/dbraw/zinc/37/50/56/1134375056.db2.gz ZGBDRFAINRFEJB-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO C[C@@H]1CC/C(=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000790156245 1134376532 /nfs/dbraw/zinc/37/65/32/1134376532.db2.gz AYXMDAINBUBOIL-NWCRWOLESA-N 1 2 327.472 3.672 20 0 EHADLO S=C(Nc1ccsc1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000790319780 1134395814 /nfs/dbraw/zinc/39/58/14/1134395814.db2.gz JHVCJRPTMHBGJD-HNNXBMFYSA-N 1 2 340.477 3.945 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCSCC[C@@H]2C)C1 ZINC000790480444 1134423695 /nfs/dbraw/zinc/42/36/95/1134423695.db2.gz LFKNSORZNBPORV-KBPBESRZSA-N 1 2 340.558 3.600 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCSCC[C@@H]2C)C1 ZINC000790480444 1134423700 /nfs/dbraw/zinc/42/37/00/1134423700.db2.gz LFKNSORZNBPORV-KBPBESRZSA-N 1 2 340.558 3.600 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C12CC(c3ccccc3)(C1)C2 ZINC000790520797 1134429676 /nfs/dbraw/zinc/42/96/76/1134429676.db2.gz KTZUAUVOZRJCMS-UHFFFAOYSA-N 1 2 343.430 3.610 20 0 EHADLO CC(C)Cc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000790590913 1134440140 /nfs/dbraw/zinc/44/01/40/1134440140.db2.gz NFWNRQURIXLPTB-UHFFFAOYSA-N 1 2 325.456 3.902 20 0 EHADLO CO[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000791334712 1134532536 /nfs/dbraw/zinc/53/25/36/1134532536.db2.gz VXBVMIWWIAYWQW-LJQANCHMSA-N 1 2 336.391 3.612 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000791382015 1134538220 /nfs/dbraw/zinc/53/82/20/1134538220.db2.gz JWXXDKKEGUBUMR-HNAYVOBHSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1noc(C)c1[C@@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791362956 1134540303 /nfs/dbraw/zinc/54/03/03/1134540303.db2.gz GPDJMDQVDOBZAD-CYBMUJFWSA-N 1 2 339.395 3.632 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446075 1134552150 /nfs/dbraw/zinc/55/21/50/1134552150.db2.gz ONSAMEYXHOUXID-UHFFFAOYSA-N 1 2 345.508 3.857 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446075 1134552152 /nfs/dbraw/zinc/55/21/52/1134552152.db2.gz ONSAMEYXHOUXID-UHFFFAOYSA-N 1 2 345.508 3.857 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(F)cc1 ZINC000791452282 1134554065 /nfs/dbraw/zinc/55/40/65/1134554065.db2.gz GKPQNLQVIJHQLH-UHFFFAOYSA-N 1 2 349.471 3.651 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(F)cc1 ZINC000791452282 1134554069 /nfs/dbraw/zinc/55/40/69/1134554069.db2.gz GKPQNLQVIJHQLH-UHFFFAOYSA-N 1 2 349.471 3.651 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791473942 1134561117 /nfs/dbraw/zinc/56/11/17/1134561117.db2.gz VLXTZBNRAVTXDP-UHFFFAOYSA-N 1 2 348.402 3.908 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCSCc2ccccc2)c1C ZINC000791560262 1134573960 /nfs/dbraw/zinc/57/39/60/1134573960.db2.gz UBRVABWJKFIZPL-UHFFFAOYSA-N 1 2 344.480 3.647 20 0 EHADLO CCCc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)s1 ZINC001189509755 1134593512 /nfs/dbraw/zinc/59/35/12/1134593512.db2.gz GONFRBJOGQOWRB-GOSISDBHSA-N 1 2 340.492 3.756 20 0 EHADLO CCCc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)s1 ZINC001189509755 1134593515 /nfs/dbraw/zinc/59/35/15/1134593515.db2.gz GONFRBJOGQOWRB-GOSISDBHSA-N 1 2 340.492 3.756 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)o1 ZINC000775276956 1134607703 /nfs/dbraw/zinc/60/77/03/1134607703.db2.gz OHPHKXMCFNMNBG-AWEZNQCLSA-N 1 2 327.428 3.776 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)NC1c2ccccc2-c2ccccc21 ZINC001190061832 1134654167 /nfs/dbraw/zinc/65/41/67/1134654167.db2.gz MAPQKXJGSFAYMW-UHFFFAOYSA-N 1 2 345.402 3.530 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)c1ccccc1-n1cc[nH+]c1 ZINC001190107623 1134656520 /nfs/dbraw/zinc/65/65/20/1134656520.db2.gz SSFGPTCUBSMHDP-UHFFFAOYSA-N 1 2 341.414 3.998 20 0 EHADLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1-n1cc[nH+]c1 ZINC001190108007 1134656622 /nfs/dbraw/zinc/65/66/22/1134656622.db2.gz XWNLXHDHJFYWOP-YLJYHZDGSA-N 1 2 347.418 3.522 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Oc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000792158629 1134659133 /nfs/dbraw/zinc/65/91/33/1134659133.db2.gz IWZCBDRTEAFUAQ-UYAOXDASSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Oc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000792158629 1134659135 /nfs/dbraw/zinc/65/91/35/1134659135.db2.gz IWZCBDRTEAFUAQ-UYAOXDASSA-N 1 2 339.435 3.789 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cc1cccc(S(C)(=O)=O)c1 ZINC001190317677 1134679691 /nfs/dbraw/zinc/67/96/91/1134679691.db2.gz GJOWMFHTGUNLFO-UHFFFAOYSA-N 1 2 345.489 3.937 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cc1cccc(S(C)(=O)=O)c1 ZINC001190317677 1134679695 /nfs/dbraw/zinc/67/96/95/1134679695.db2.gz GJOWMFHTGUNLFO-UHFFFAOYSA-N 1 2 345.489 3.937 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170257130 1134725480 /nfs/dbraw/zinc/72/54/80/1134725480.db2.gz UHVCMTCZPWSDJK-SCLBCKFNSA-N 1 2 349.833 3.784 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ncc(C(F)(F)F)cc1Cl ZINC001190637287 1134730023 /nfs/dbraw/zinc/73/00/23/1134730023.db2.gz BUPQWTCFIVUFEY-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO C[C@]12CC[N@H+](Cc3nc4cc(F)ccc4o3)C[C@H]1C2(Cl)Cl ZINC000792910032 1134814839 /nfs/dbraw/zinc/81/48/39/1134814839.db2.gz VGQRNLUONZOCFR-OCCSQVGLSA-N 1 2 329.202 3.983 20 0 EHADLO C[C@]12CC[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@H]1C2(Cl)Cl ZINC000792910032 1134814843 /nfs/dbraw/zinc/81/48/43/1134814843.db2.gz VGQRNLUONZOCFR-OCCSQVGLSA-N 1 2 329.202 3.983 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)o1 ZINC001191208263 1134816521 /nfs/dbraw/zinc/81/65/21/1134816521.db2.gz RKVJJDSQDORCRY-UHFFFAOYSA-N 1 2 335.407 3.929 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792900311 1134816999 /nfs/dbraw/zinc/81/69/99/1134816999.db2.gz BBJGWUAPFCJEOW-ZBFHGGJFSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792900311 1134817005 /nfs/dbraw/zinc/81/70/05/1134817005.db2.gz BBJGWUAPFCJEOW-ZBFHGGJFSA-N 1 2 341.282 3.758 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1coc2cc(F)ccc12 ZINC000793166111 1134859905 /nfs/dbraw/zinc/85/99/05/1134859905.db2.gz DXKFHEZZJBRODO-INIZCTEOSA-N 1 2 329.375 3.613 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1coc2cc(F)ccc12 ZINC000793235901 1134880729 /nfs/dbraw/zinc/88/07/29/1134880729.db2.gz HIINCBORYCEJPS-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191581386 1134885405 /nfs/dbraw/zinc/88/54/05/1134885405.db2.gz LYEYRRALDUHZAU-UHFFFAOYSA-N 1 2 344.312 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CN2c3ccccc3N(C)CC[C@@H]2C)c1C ZINC001191601756 1134895984 /nfs/dbraw/zinc/89/59/84/1134895984.db2.gz QGCPZQPSVOZKMF-HNNXBMFYSA-N 1 2 325.456 3.942 20 0 EHADLO Cc1ccc(N(Cc2cccs2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000793476457 1134938594 /nfs/dbraw/zinc/93/85/94/1134938594.db2.gz FDJFFRXUNIVPTA-UHFFFAOYSA-N 1 2 325.437 3.946 20 0 EHADLO Cc1ccc(N(Cc2cccs2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000793476457 1134938600 /nfs/dbraw/zinc/93/86/00/1134938600.db2.gz FDJFFRXUNIVPTA-UHFFFAOYSA-N 1 2 325.437 3.946 20 0 EHADLO O=C(C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1)Nc1ccccn1 ZINC001192014102 1134956378 /nfs/dbraw/zinc/95/63/78/1134956378.db2.gz PWPXVLZFXAOXQT-UHFFFAOYSA-N 1 2 345.393 3.743 20 0 EHADLO O=C(C[N@H+](Cc1ccc(F)cc1F)C1CCCC1)Nc1ccccn1 ZINC001192014102 1134956382 /nfs/dbraw/zinc/95/63/82/1134956382.db2.gz PWPXVLZFXAOXQT-UHFFFAOYSA-N 1 2 345.393 3.743 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccc(Oc2ccccc2)nc1 ZINC001192090309 1134960957 /nfs/dbraw/zinc/96/09/57/1134960957.db2.gz SQUJKFKARRRZHD-UHFFFAOYSA-N 1 2 348.406 3.725 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H](F)CC3CCCCC3)[nH+]c12 ZINC000793599684 1134966503 /nfs/dbraw/zinc/96/65/03/1134966503.db2.gz OBKNLWVPRKHAJS-QGZVFWFLSA-N 1 2 331.435 3.610 20 0 EHADLO Clc1c(Br)cncc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001250470749 1135011024 /nfs/dbraw/zinc/01/10/24/1135011024.db2.gz OCABWROKOIKLBW-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1c(Br)cncc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001250470749 1135011027 /nfs/dbraw/zinc/01/10/27/1135011027.db2.gz OCABWROKOIKLBW-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC000794214687 1135033767 /nfs/dbraw/zinc/03/37/67/1135033767.db2.gz XMRUSIXFXNFTED-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO FC1(F)CN(Cc2cccc3ncccc23)CC[C@H]1[NH+]1CCCC1 ZINC001137632168 1135076703 /nfs/dbraw/zinc/07/67/03/1135076703.db2.gz SZTDUIHOBVSWHN-GOSISDBHSA-N 1 2 331.410 3.540 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCc1ccccc1Cl ZINC001193002691 1135083874 /nfs/dbraw/zinc/08/38/74/1135083874.db2.gz MIBKFUDIWHFNTO-CQSZACIVSA-N 1 2 338.879 3.824 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCc1ccccc1Cl ZINC001193002691 1135083878 /nfs/dbraw/zinc/08/38/78/1135083878.db2.gz MIBKFUDIWHFNTO-CQSZACIVSA-N 1 2 338.879 3.824 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775563273 1135097556 /nfs/dbraw/zinc/09/75/56/1135097556.db2.gz OJBCUJXVAREKLC-OAQYLSRUSA-N 1 2 348.450 3.672 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775563273 1135097560 /nfs/dbraw/zinc/09/75/60/1135097560.db2.gz OJBCUJXVAREKLC-OAQYLSRUSA-N 1 2 348.450 3.672 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000775570921 1135104698 /nfs/dbraw/zinc/10/46/98/1135104698.db2.gz UWHHKWBHJABZFT-NWDGAFQWSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000775570921 1135104703 /nfs/dbraw/zinc/10/47/03/1135104703.db2.gz UWHHKWBHJABZFT-NWDGAFQWSA-N 1 2 328.815 3.751 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1Cl ZINC001193307706 1135124176 /nfs/dbraw/zinc/12/41/76/1135124176.db2.gz ALHNXYNNLSXUGK-ZDUSSCGKSA-N 1 2 345.826 3.910 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1Cl ZINC001193307706 1135124179 /nfs/dbraw/zinc/12/41/79/1135124179.db2.gz ALHNXYNNLSXUGK-ZDUSSCGKSA-N 1 2 345.826 3.910 20 0 EHADLO OC[C@@H](C[C@@H](O)c1ccccc1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000804573472 1135125092 /nfs/dbraw/zinc/12/50/92/1135125092.db2.gz FGWDGNKHLUFGGV-RDTXWAMCSA-N 1 2 342.826 3.785 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@H](C)O1 ZINC001193526025 1135151709 /nfs/dbraw/zinc/15/17/09/1135151709.db2.gz GPQIVTMDBLUADK-MAUKXSAKSA-N 1 2 345.414 3.854 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@H](C)O1 ZINC001193526025 1135151712 /nfs/dbraw/zinc/15/17/12/1135151712.db2.gz GPQIVTMDBLUADK-MAUKXSAKSA-N 1 2 345.414 3.854 20 0 EHADLO CC[C@@H]1CC([NH2+][C@@H]2CC2(F)F)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170460082 1135154287 /nfs/dbraw/zinc/15/42/87/1135154287.db2.gz QBHBCXBTYKCHBQ-MGPQQGTHSA-N 1 2 332.435 3.940 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC001194020750 1135215847 /nfs/dbraw/zinc/21/58/47/1135215847.db2.gz PCKDGNTULLEJHX-LJQANCHMSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC001194020750 1135215851 /nfs/dbraw/zinc/21/58/51/1135215851.db2.gz PCKDGNTULLEJHX-LJQANCHMSA-N 1 2 340.467 3.908 20 0 EHADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC001194213213 1135244684 /nfs/dbraw/zinc/24/46/84/1135244684.db2.gz MLZJXMWWLRIGRJ-AOOOYVTPSA-N 1 2 342.226 3.653 20 0 EHADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC001194213213 1135244691 /nfs/dbraw/zinc/24/46/91/1135244691.db2.gz MLZJXMWWLRIGRJ-AOOOYVTPSA-N 1 2 342.226 3.653 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001194693174 1135306438 /nfs/dbraw/zinc/30/64/38/1135306438.db2.gz ZKCLELXTHZNLEE-AWEZNQCLSA-N 1 2 338.879 3.582 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001194693174 1135306443 /nfs/dbraw/zinc/30/64/43/1135306443.db2.gz ZKCLELXTHZNLEE-AWEZNQCLSA-N 1 2 338.879 3.582 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001194723889 1135313361 /nfs/dbraw/zinc/31/33/61/1135313361.db2.gz OITMSHBGVQDDSD-UHFFFAOYSA-N 1 2 345.443 3.602 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615483 1135329747 /nfs/dbraw/zinc/32/97/47/1135329747.db2.gz NMXVKIGSSXNFBH-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615483 1135329751 /nfs/dbraw/zinc/32/97/51/1135329751.db2.gz NMXVKIGSSXNFBH-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO CC(=O)c1cccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1C ZINC001194908683 1135338972 /nfs/dbraw/zinc/33/89/72/1135338972.db2.gz ZOAYEMMWOSAJMJ-UHFFFAOYSA-N 1 2 333.391 3.850 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H](C)CC(C)C)CC2)cs1 ZINC000805949310 1135355106 /nfs/dbraw/zinc/35/51/06/1135355106.db2.gz SEQXFIBFBBKZCW-CQSZACIVSA-N 1 2 338.517 3.889 20 0 EHADLO O=C(Nc1ccccc1Sc1ncccn1)c1cccc2[nH+]ccn21 ZINC001130465413 1135361055 /nfs/dbraw/zinc/36/10/55/1135361055.db2.gz JRQGAIOROALKHJ-UHFFFAOYSA-N 1 2 347.403 3.528 20 0 EHADLO CCCCCCOCc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000806615538 1135470456 /nfs/dbraw/zinc/47/04/56/1135470456.db2.gz PZNJSJCRDXPDOW-UHFFFAOYSA-N 1 2 329.444 3.698 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)CC2 ZINC001195911292 1135489019 /nfs/dbraw/zinc/48/90/19/1135489019.db2.gz PFNDEUXPCGEGPP-UHFFFAOYSA-N 1 2 332.806 3.784 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)CC2 ZINC001195911292 1135489020 /nfs/dbraw/zinc/48/90/20/1135489020.db2.gz PFNDEUXPCGEGPP-UHFFFAOYSA-N 1 2 332.806 3.784 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC001196159825 1135526089 /nfs/dbraw/zinc/52/60/89/1135526089.db2.gz VCTDVPUUOWKEFZ-LBPRGKRZSA-N 1 2 342.302 3.970 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC001196159825 1135526092 /nfs/dbraw/zinc/52/60/92/1135526092.db2.gz VCTDVPUUOWKEFZ-LBPRGKRZSA-N 1 2 342.302 3.970 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@@H](C)C3CCC3)n2)C1 ZINC000867182130 1135578304 /nfs/dbraw/zinc/57/83/04/1135578304.db2.gz SCVSEYDDFJUTLN-MAUKXSAKSA-N 1 2 341.455 3.855 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@@H](C)C3CCC3)n2)C1 ZINC000867182130 1135578312 /nfs/dbraw/zinc/57/83/12/1135578312.db2.gz SCVSEYDDFJUTLN-MAUKXSAKSA-N 1 2 341.455 3.855 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)CN1CCN(c2ccccc2)C1=O ZINC000808165577 1135620583 /nfs/dbraw/zinc/62/05/83/1135620583.db2.gz FCUJYPGBMRHVRI-UHFFFAOYSA-N 1 2 335.407 3.764 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)CN1CCN(c2ccccc2)C1=O ZINC000808165577 1135620587 /nfs/dbraw/zinc/62/05/87/1135620587.db2.gz FCUJYPGBMRHVRI-UHFFFAOYSA-N 1 2 335.407 3.764 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)NCc1ccccc1Cl ZINC001196851061 1135623007 /nfs/dbraw/zinc/62/30/07/1135623007.db2.gz VSRCAGOYUHBEML-UHFFFAOYSA-N 1 2 348.903 3.501 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1F)CN1CCN(c2ccccc2)C1=O ZINC000808146851 1135624403 /nfs/dbraw/zinc/62/44/03/1135624403.db2.gz ZDRUBHMWJWYETC-UHFFFAOYSA-N 1 2 341.430 3.936 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1F)CN1CCN(c2ccccc2)C1=O ZINC000808146851 1135624404 /nfs/dbraw/zinc/62/44/04/1135624404.db2.gz ZDRUBHMWJWYETC-UHFFFAOYSA-N 1 2 341.430 3.936 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1C ZINC000808228313 1135632812 /nfs/dbraw/zinc/63/28/12/1135632812.db2.gz SZJYOPXXBVOJIR-CQSZACIVSA-N 1 2 332.473 3.599 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1C ZINC000808228313 1135632813 /nfs/dbraw/zinc/63/28/13/1135632813.db2.gz SZJYOPXXBVOJIR-CQSZACIVSA-N 1 2 332.473 3.599 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccnc(C(F)(F)F)c1 ZINC000808273202 1135644994 /nfs/dbraw/zinc/64/49/94/1135644994.db2.gz YQPRVAPOAFPOLI-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CO[C@@H](C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177894 1135657236 /nfs/dbraw/zinc/65/72/36/1135657236.db2.gz XZMVSVCRGZSHLE-IRXDYDNUSA-N 1 2 337.435 3.709 20 0 EHADLO CO[C@@H](C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177894 1135657238 /nfs/dbraw/zinc/65/72/38/1135657238.db2.gz XZMVSVCRGZSHLE-IRXDYDNUSA-N 1 2 337.435 3.709 20 0 EHADLO COC(=O)COc1c(C)cc(C[NH2+]C2(C(F)F)CCCC2)cc1C ZINC000808451213 1135669676 /nfs/dbraw/zinc/66/96/76/1135669676.db2.gz HRDWCTQCQRRHTP-UHFFFAOYSA-N 1 2 341.398 3.523 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@H]1CCCC1(C)C ZINC001131319945 1135678090 /nfs/dbraw/zinc/67/80/90/1135678090.db2.gz BSTJNLQMIDYXIE-CYBMUJFWSA-N 1 2 349.425 3.956 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001197439364 1135692808 /nfs/dbraw/zinc/69/28/08/1135692808.db2.gz CLRKYRYBWZBPAX-SFHVURJKSA-N 1 2 338.386 3.894 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001197439362 1135692850 /nfs/dbraw/zinc/69/28/50/1135692850.db2.gz CLRKYRYBWZBPAX-GOSISDBHSA-N 1 2 338.386 3.894 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC001197564047 1135706672 /nfs/dbraw/zinc/70/66/72/1135706672.db2.gz GAJCXZVZZCYXDP-HNNXBMFYSA-N 1 2 337.485 3.517 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@H+]1CC(=O)OC(C)(C)C ZINC001197564047 1135706677 /nfs/dbraw/zinc/70/66/77/1135706677.db2.gz GAJCXZVZZCYXDP-HNNXBMFYSA-N 1 2 337.485 3.517 20 0 EHADLO O[C@@H](CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccccc1 ZINC000808720019 1135721662 /nfs/dbraw/zinc/72/16/62/1135721662.db2.gz LOKSDSZLJIXZOO-RBUKOAKNSA-N 1 2 331.843 3.837 20 0 EHADLO O[C@@H](CC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)c1ccccc1 ZINC000808720019 1135721667 /nfs/dbraw/zinc/72/16/67/1135721667.db2.gz LOKSDSZLJIXZOO-RBUKOAKNSA-N 1 2 331.843 3.837 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318107 1135799974 /nfs/dbraw/zinc/79/99/74/1135799974.db2.gz LVNPLSNTRNVYPL-MFKMUULPSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318107 1135799978 /nfs/dbraw/zinc/79/99/78/1135799978.db2.gz LVNPLSNTRNVYPL-MFKMUULPSA-N 1 2 328.225 3.514 20 0 EHADLO Cc1cccc(C)c1NC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001198390288 1135808508 /nfs/dbraw/zinc/80/85/08/1135808508.db2.gz QJGQDJOPRNFLDU-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO CC(C)Cc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000809447861 1135840998 /nfs/dbraw/zinc/84/09/98/1135840998.db2.gz ZZUSNELQYRGQGZ-FUHWJXTLSA-N 1 2 341.455 3.861 20 0 EHADLO CC(C)Cc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000809447861 1135841002 /nfs/dbraw/zinc/84/10/02/1135841002.db2.gz ZZUSNELQYRGQGZ-FUHWJXTLSA-N 1 2 341.455 3.861 20 0 EHADLO Cc1cccnc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001198640971 1135842251 /nfs/dbraw/zinc/84/22/51/1135842251.db2.gz KUCBVNAJFNCPMB-ZDUSSCGKSA-N 1 2 341.846 3.690 20 0 EHADLO Brc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)ccn1 ZINC001198704996 1135850547 /nfs/dbraw/zinc/85/05/47/1135850547.db2.gz GBTSBCVUWNMDMB-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)ccn1 ZINC001198704996 1135850551 /nfs/dbraw/zinc/85/05/51/1135850551.db2.gz GBTSBCVUWNMDMB-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(C2OCCO2)s1 ZINC000809575981 1135852772 /nfs/dbraw/zinc/85/27/72/1135852772.db2.gz HFFPNEKVTPZRSK-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(C2OCCO2)s1 ZINC000809575981 1135852775 /nfs/dbraw/zinc/85/27/75/1135852775.db2.gz HFFPNEKVTPZRSK-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CCC[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(OC)cc1 ZINC000809546732 1135854630 /nfs/dbraw/zinc/85/46/30/1135854630.db2.gz FTMKTMAPNSYDBJ-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO CCC[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(OC)cc1 ZINC000809546732 1135854635 /nfs/dbraw/zinc/85/46/35/1135854635.db2.gz FTMKTMAPNSYDBJ-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC001198774473 1135856412 /nfs/dbraw/zinc/85/64/12/1135856412.db2.gz OYKGKLXQEHDYGG-UHFFFAOYSA-N 1 2 331.419 3.633 20 0 EHADLO O=S(=O)(Nc1cc[nH+]c(C2CCC2)c1)c1ccc2occc2c1 ZINC001198828317 1135857034 /nfs/dbraw/zinc/85/70/34/1135857034.db2.gz GVFXDKHAFMHFFO-UHFFFAOYSA-N 1 2 328.393 3.896 20 0 EHADLO CCc1cc(NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc[nH+]1 ZINC001198883954 1135865728 /nfs/dbraw/zinc/86/57/28/1135865728.db2.gz IZAZCHOLTJKIOE-UHFFFAOYSA-N 1 2 347.312 3.570 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000809653675 1135866133 /nfs/dbraw/zinc/86/61/33/1135866133.db2.gz CVANZUYEVAHUSG-GXDHUFHOSA-N 1 2 330.453 3.724 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000809653675 1135866136 /nfs/dbraw/zinc/86/61/36/1135866136.db2.gz CVANZUYEVAHUSG-GXDHUFHOSA-N 1 2 330.453 3.724 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001170586436 1135883919 /nfs/dbraw/zinc/88/39/19/1135883919.db2.gz KBICVLNQJRSNDA-BHIYHBOVSA-N 1 2 335.488 3.818 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000775980304 1135908326 /nfs/dbraw/zinc/90/83/26/1135908326.db2.gz PCUBPWRKJXUKGY-RYUDHWBXSA-N 1 2 348.413 3.574 20 0 EHADLO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)c1 ZINC000810121412 1135929158 /nfs/dbraw/zinc/92/91/58/1135929158.db2.gz KYNMIVPRQRXJIL-LBPRGKRZSA-N 1 2 344.768 3.706 20 0 EHADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)c1 ZINC000810121412 1135929160 /nfs/dbraw/zinc/92/91/60/1135929160.db2.gz KYNMIVPRQRXJIL-LBPRGKRZSA-N 1 2 344.768 3.706 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)no1 ZINC000810232965 1135942093 /nfs/dbraw/zinc/94/20/93/1135942093.db2.gz PBDYSHLXBUEYEN-YGRLFVJLSA-N 1 2 348.752 3.737 20 0 EHADLO C[C@H]1CC[C@H](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001273845343 1135954918 /nfs/dbraw/zinc/95/49/18/1135954918.db2.gz FPQNKOMRVMDYBI-KBPBESRZSA-N 1 2 331.847 3.968 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000776098215 1135955489 /nfs/dbraw/zinc/95/54/89/1135955489.db2.gz XCKCDJMJOAPHDR-UHFFFAOYSA-N 1 2 326.400 3.557 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)Nc1ccccc1Cl ZINC001200869706 1135961693 /nfs/dbraw/zinc/96/16/93/1135961693.db2.gz GHOZPDLAEHLMOA-UHFFFAOYSA-N 1 2 334.876 3.823 20 0 EHADLO CCCCCCNC(=S)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001200952192 1135972060 /nfs/dbraw/zinc/97/20/60/1135972060.db2.gz KULKCOVQBPCGIN-UHFFFAOYSA-N 1 2 330.501 3.759 20 0 EHADLO C[C@@H]1CC(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000810597005 1135976017 /nfs/dbraw/zinc/97/60/17/1135976017.db2.gz RCKQCYDZOSCDBU-HOTGVXAUSA-N 1 2 326.440 3.842 20 0 EHADLO C[C@H]1CC(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H](C)C1 ZINC000810597006 1135976052 /nfs/dbraw/zinc/97/60/52/1135976052.db2.gz RCKQCYDZOSCDBU-HZPDHXFCSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1c[nH+]c(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(C)c1 ZINC001201236177 1135997751 /nfs/dbraw/zinc/99/77/51/1135997751.db2.gz FEAJVUPGUSPNRH-UHFFFAOYSA-N 1 2 333.457 3.519 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)cc(C)c1I ZINC001201292890 1136001460 /nfs/dbraw/zinc/00/14/60/1136001460.db2.gz UAQLLFBDVQVWKQ-UHFFFAOYSA-N 1 2 339.180 3.629 20 0 EHADLO CC[N@H+](CCCC(=O)OC)C/C(Br)=C/c1ccccc1 ZINC001201450624 1136026749 /nfs/dbraw/zinc/02/67/49/1136026749.db2.gz FEEXTJNPZDAPAN-QINSGFPZSA-N 1 2 340.261 3.698 20 0 EHADLO CC[N@@H+](CCCC(=O)OC)C/C(Br)=C/c1ccccc1 ZINC001201450624 1136026752 /nfs/dbraw/zinc/02/67/52/1136026752.db2.gz FEEXTJNPZDAPAN-QINSGFPZSA-N 1 2 340.261 3.698 20 0 EHADLO CCOC(=O)c1nc(Cl)ncc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201490143 1136028362 /nfs/dbraw/zinc/02/83/62/1136028362.db2.gz CQGZUYXVVNXSKT-UHFFFAOYSA-N 1 2 334.807 3.871 20 0 EHADLO CCC[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132589146 1136041747 /nfs/dbraw/zinc/04/17/47/1136041747.db2.gz FXTRJMKXOGXZAV-FPOVZHCZSA-N 1 2 346.515 3.528 20 0 EHADLO CCC[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132589146 1136041751 /nfs/dbraw/zinc/04/17/51/1136041751.db2.gz FXTRJMKXOGXZAV-FPOVZHCZSA-N 1 2 346.515 3.528 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc(CC(C)C)cc2)c1C ZINC000747672139 1136046461 /nfs/dbraw/zinc/04/64/61/1136046461.db2.gz DMTOHDQMAQULOF-UHFFFAOYSA-N 1 2 340.467 3.764 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CCC2 ZINC001201618028 1136047511 /nfs/dbraw/zinc/04/75/11/1136047511.db2.gz LYGLMPVTTCWFEM-JKSUJKDBSA-N 1 2 346.500 3.939 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C4CC4)nc3)c2c1 ZINC001201708300 1136054985 /nfs/dbraw/zinc/05/49/85/1136054985.db2.gz OERQGRXJBFDILO-UHFFFAOYSA-N 1 2 333.391 3.849 20 0 EHADLO CCc1ccccc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327640 1136074592 /nfs/dbraw/zinc/07/45/92/1136074592.db2.gz AMDNYXKOWZMKGR-UHFFFAOYSA-N 1 2 334.419 3.780 20 0 EHADLO CSc1cc(C)c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC001132815916 1136088778 /nfs/dbraw/zinc/08/87/78/1136088778.db2.gz WZUQPZSNYNLIPC-OAHLLOKOSA-N 1 2 341.436 3.678 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811463190 1136090165 /nfs/dbraw/zinc/09/01/65/1136090165.db2.gz NARQHNKEDQBMJH-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811463190 1136090169 /nfs/dbraw/zinc/09/01/69/1136090169.db2.gz NARQHNKEDQBMJH-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO Cc1cc(C[NH+]2CC(O)(c3ccccc3)C2)ccc1Oc1cccnc1 ZINC000811510129 1136102478 /nfs/dbraw/zinc/10/24/78/1136102478.db2.gz WENDKGBPEFEMBF-UHFFFAOYSA-N 1 2 346.430 3.886 20 0 EHADLO CCCC1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000083114278 1136110106 /nfs/dbraw/zinc/11/01/06/1136110106.db2.gz NPEFIAZJFXVMOO-UHFFFAOYSA-N 1 2 336.530 3.689 20 0 EHADLO Cc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1F ZINC001202233119 1136117801 /nfs/dbraw/zinc/11/78/01/1136117801.db2.gz GETRCOXTYSVENK-HUUCEWRRSA-N 1 2 329.419 3.755 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)[C@H]1C1CC1 ZINC000811746133 1136128896 /nfs/dbraw/zinc/12/88/96/1136128896.db2.gz SCNWKMGAKOKQDS-SJORKVTESA-N 1 2 334.410 3.706 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)[C@H]1C1CC1 ZINC000811746133 1136128898 /nfs/dbraw/zinc/12/88/98/1136128898.db2.gz SCNWKMGAKOKQDS-SJORKVTESA-N 1 2 334.410 3.706 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202374870 1136135193 /nfs/dbraw/zinc/13/51/93/1136135193.db2.gz PWZCHZXEDVNWSX-AWEZNQCLSA-N 1 2 343.805 3.677 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000811765202 1136136995 /nfs/dbraw/zinc/13/69/95/1136136995.db2.gz XXYNKTAUZDAGNV-UHFFFAOYSA-N 1 2 338.377 3.751 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765432 1136137105 /nfs/dbraw/zinc/13/71/05/1136137105.db2.gz JZJGEQYBAUDXKU-MAUKXSAKSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765432 1136137108 /nfs/dbraw/zinc/13/71/08/1136137108.db2.gz JZJGEQYBAUDXKU-MAUKXSAKSA-N 1 2 325.456 3.605 20 0 EHADLO CCCCn1c2ccccc2n(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811787889 1136140534 /nfs/dbraw/zinc/14/05/34/1136140534.db2.gz SNHXGEMKXPQKPF-UHFFFAOYSA-N 1 2 341.484 3.642 20 0 EHADLO S=c1scc(-c2ccccc2)n1CN1CCn2c[nH+]cc2C1 ZINC000811787691 1136140861 /nfs/dbraw/zinc/14/08/61/1136140861.db2.gz RRRROBLKKXRLPG-UHFFFAOYSA-N 1 2 328.466 3.616 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1=S ZINC000811794058 1136141642 /nfs/dbraw/zinc/14/16/42/1136141642.db2.gz YORZPYGYMBTSHY-IAGOWNOFSA-N 1 2 343.496 3.700 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1=S ZINC000811794058 1136141644 /nfs/dbraw/zinc/14/16/44/1136141644.db2.gz YORZPYGYMBTSHY-IAGOWNOFSA-N 1 2 343.496 3.700 20 0 EHADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2cccc(F)c2)cc1 ZINC001202440432 1136143987 /nfs/dbraw/zinc/14/39/87/1136143987.db2.gz YCANQCXKBHBMPD-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3coc4ccccc34)CC2)cc1 ZINC001133116399 1136167960 /nfs/dbraw/zinc/16/79/60/1136167960.db2.gz PFWHQAMYYSQLIY-UHFFFAOYSA-N 1 2 348.446 3.953 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C[C@@H](c3cccc(Cl)c3)CC2=O)c1 ZINC000812286940 1136191680 /nfs/dbraw/zinc/19/16/80/1136191680.db2.gz HOEZFFVBLJFDEB-KRWDZBQOSA-N 1 2 345.874 3.567 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C[C@@H](c3cccc(Cl)c3)CC2=O)c1 ZINC000812286940 1136191682 /nfs/dbraw/zinc/19/16/82/1136191682.db2.gz HOEZFFVBLJFDEB-KRWDZBQOSA-N 1 2 345.874 3.567 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(N[C@@H](C)[C@H](O)c2cccc(O)c2)c1C ZINC001170672986 1136191927 /nfs/dbraw/zinc/19/19/27/1136191927.db2.gz ANNMJROZMFJJHG-BBRMVZONSA-N 1 2 329.444 3.631 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000747782762 1136196165 /nfs/dbraw/zinc/19/61/65/1136196165.db2.gz PMHZRRVIRWWZOC-KGLIPLIRSA-N 1 2 325.195 3.574 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1c(F)cncc1Br ZINC000850043282 1136202382 /nfs/dbraw/zinc/20/23/82/1136202382.db2.gz MZXUIJIMJHKHOH-UHFFFAOYSA-N 1 2 338.224 3.970 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3cc4ccncc4s3)cc2)CC1 ZINC000850051155 1136203134 /nfs/dbraw/zinc/20/31/34/1136203134.db2.gz ZLNXSDYSUBQPMZ-UHFFFAOYSA-N 1 2 339.464 3.870 20 0 EHADLO Cc1[nH]c(CNc2ccc(N3CCSCC3)c(Cl)c2)[nH+]c1C ZINC000850210249 1136220958 /nfs/dbraw/zinc/22/09/58/1136220958.db2.gz BUGKPSVEMMAUMF-UHFFFAOYSA-N 1 2 336.892 3.845 20 0 EHADLO Cc1[nH]c(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)[nH+]c1C ZINC000850254124 1136227258 /nfs/dbraw/zinc/22/72/58/1136227258.db2.gz OTXCDEAVKBZISS-ZDUSSCGKSA-N 1 2 335.835 3.707 20 0 EHADLO COc1ccc([C@H](O)C2CC[NH+](Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000812857692 1136255617 /nfs/dbraw/zinc/25/56/17/1136255617.db2.gz BCVXYSWRPNZTDD-FQEVSTJZSA-N 1 2 344.455 3.752 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000812834800 1136257229 /nfs/dbraw/zinc/25/72/29/1136257229.db2.gz JZSIRWDHTOLDKK-CQSZACIVSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000812834800 1136257231 /nfs/dbraw/zinc/25/72/31/1136257231.db2.gz JZSIRWDHTOLDKK-CQSZACIVSA-N 1 2 337.464 3.533 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccc1SC(F)F ZINC000850550609 1136283620 /nfs/dbraw/zinc/28/36/20/1136283620.db2.gz AMGIRVOYDLXLLQ-SNVBAGLBSA-N 1 2 325.384 3.651 20 0 EHADLO COc1ccc([C@@H]2C[C@H]2CC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000850899004 1136316165 /nfs/dbraw/zinc/31/61/65/1136316165.db2.gz GBOBSZCUHJOTFW-YJBOKZPZSA-N 1 2 336.391 3.580 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000851157402 1136344562 /nfs/dbraw/zinc/34/45/62/1136344562.db2.gz OZTYYSJXDPPYKL-QWHCGFSZSA-N 1 2 344.377 3.674 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCCCC3CCC3)CC2)cs1 ZINC000851301437 1136363839 /nfs/dbraw/zinc/36/38/39/1136363839.db2.gz HWIYROCOWCWQJD-UHFFFAOYSA-N 1 2 336.501 3.787 20 0 EHADLO CCCCS[C@H](C)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398986 1136376210 /nfs/dbraw/zinc/37/62/10/1136376210.db2.gz KELDFEGINKEOPC-OAHLLOKOSA-N 1 2 336.501 3.763 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@@H+](CC=C(Cl)Cl)C2CC2)cc1 ZINC000851717746 1136401173 /nfs/dbraw/zinc/40/11/73/1136401173.db2.gz WIYCSIRUMZUMNG-UHFFFAOYSA-N 1 2 339.266 3.862 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@H+](CC=C(Cl)Cl)C2CC2)cc1 ZINC000851717746 1136401174 /nfs/dbraw/zinc/40/11/74/1136401174.db2.gz WIYCSIRUMZUMNG-UHFFFAOYSA-N 1 2 339.266 3.862 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(F)n1 ZINC000851736716 1136403365 /nfs/dbraw/zinc/40/33/65/1136403365.db2.gz VFUNYVBASLUMHS-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(F)n1 ZINC000851736716 1136403367 /nfs/dbraw/zinc/40/33/67/1136403367.db2.gz VFUNYVBASLUMHS-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3nc(C)oc3C)CC2)cc1Cl ZINC000852038242 1136429077 /nfs/dbraw/zinc/42/90/77/1136429077.db2.gz LNBVCBFUFFWEDW-UHFFFAOYSA-N 1 2 333.863 3.829 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000852044621 1136429135 /nfs/dbraw/zinc/42/91/35/1136429135.db2.gz FEFITUUADCRGKW-YOEHRIQHSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000852044621 1136429137 /nfs/dbraw/zinc/42/91/37/1136429137.db2.gz FEFITUUADCRGKW-YOEHRIQHSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814250378 1136430698 /nfs/dbraw/zinc/43/06/98/1136430698.db2.gz QQLARQMNTVWSAE-KGLIPLIRSA-N 1 2 329.400 3.742 20 0 EHADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302871 1136438298 /nfs/dbraw/zinc/43/82/98/1136438298.db2.gz KVVQJFAKKBDUMX-ZDUSSCGKSA-N 1 2 341.411 3.750 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852442955 1136456721 /nfs/dbraw/zinc/45/67/21/1136456721.db2.gz ISMZPWVDQIGJCA-XHDPSFHLSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852442955 1136456722 /nfs/dbraw/zinc/45/67/22/1136456722.db2.gz ISMZPWVDQIGJCA-XHDPSFHLSA-N 1 2 330.255 3.670 20 0 EHADLO CC(C)(C)OC(=O)N1CC([N@H+](Cc2cc(C3CC3)no2)C2CCC2)C1 ZINC000852450380 1136457328 /nfs/dbraw/zinc/45/73/28/1136457328.db2.gz KZITYCZWUQGXMZ-UHFFFAOYSA-N 1 2 347.459 3.526 20 0 EHADLO CC(C)(C)OC(=O)N1CC([N@@H+](Cc2cc(C3CC3)no2)C2CCC2)C1 ZINC000852450380 1136457330 /nfs/dbraw/zinc/45/73/30/1136457330.db2.gz KZITYCZWUQGXMZ-UHFFFAOYSA-N 1 2 347.459 3.526 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](CC(F)(F)F)O1 ZINC000852744101 1136483270 /nfs/dbraw/zinc/48/32/70/1136483270.db2.gz RXMKNZRHSJRRLF-MRVWCRGKSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](CC(F)(F)F)O1 ZINC000852744101 1136483276 /nfs/dbraw/zinc/48/32/76/1136483276.db2.gz RXMKNZRHSJRRLF-MRVWCRGKSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCCO2 ZINC000852781051 1136485540 /nfs/dbraw/zinc/48/55/40/1136485540.db2.gz CEYXGJOYBDLBLV-GFCCVEGCSA-N 1 2 325.368 3.505 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)o1 ZINC000747971060 1136499038 /nfs/dbraw/zinc/49/90/38/1136499038.db2.gz XMYIIYVGNPWLEB-HZPDHXFCSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)o1 ZINC000747971060 1136499041 /nfs/dbraw/zinc/49/90/41/1136499041.db2.gz XMYIIYVGNPWLEB-HZPDHXFCSA-N 1 2 328.460 3.521 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000853119041 1136511286 /nfs/dbraw/zinc/51/12/86/1136511286.db2.gz CYZACJFNSDPTHL-INIZCTEOSA-N 1 2 327.321 3.688 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C ZINC000747985949 1136532231 /nfs/dbraw/zinc/53/22/31/1136532231.db2.gz PIXDARLWNLHLFK-YESZJQIVSA-N 1 2 345.487 3.865 20 0 EHADLO OCC[C@@H]1CCCN1c1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000853485130 1136536564 /nfs/dbraw/zinc/53/65/64/1136536564.db2.gz GEBZWFLAXVQXII-KRWDZBQOSA-N 1 2 348.450 3.593 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000853502021 1136538525 /nfs/dbraw/zinc/53/85/25/1136538525.db2.gz PIPOXGJUSVFUTH-UHFFFAOYSA-N 1 2 348.315 3.543 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000853502021 1136538527 /nfs/dbraw/zinc/53/85/27/1136538527.db2.gz PIPOXGJUSVFUTH-UHFFFAOYSA-N 1 2 348.315 3.543 20 0 EHADLO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)CN2C(=O)CC23CCCC3)CO1 ZINC000853531095 1136541454 /nfs/dbraw/zinc/54/14/54/1136541454.db2.gz MAURUXQOLJZDEY-SFHVURJKSA-N 1 2 342.483 3.559 20 0 EHADLO CC1(C)C[C@H]([N@H+](Cc2ccccc2)CN2C(=O)CC23CCCC3)CO1 ZINC000853531095 1136541457 /nfs/dbraw/zinc/54/14/57/1136541457.db2.gz MAURUXQOLJZDEY-SFHVURJKSA-N 1 2 342.483 3.559 20 0 EHADLO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cn2cccnc2=S)CO1 ZINC000853531052 1136541640 /nfs/dbraw/zinc/54/16/40/1136541640.db2.gz WARSAOHTBVDBPC-INIZCTEOSA-N 1 2 329.469 3.640 20 0 EHADLO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cn2cccnc2=S)CO1 ZINC000853531052 1136541644 /nfs/dbraw/zinc/54/16/44/1136541644.db2.gz WARSAOHTBVDBPC-INIZCTEOSA-N 1 2 329.469 3.640 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000853562870 1136544520 /nfs/dbraw/zinc/54/45/20/1136544520.db2.gz GOPRTCLTAAPUMM-UHFFFAOYSA-N 1 2 344.550 3.592 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000853562870 1136544526 /nfs/dbraw/zinc/54/45/26/1136544526.db2.gz GOPRTCLTAAPUMM-UHFFFAOYSA-N 1 2 344.550 3.592 20 0 EHADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116391 1136551218 /nfs/dbraw/zinc/55/12/18/1136551218.db2.gz KYQSCSMFQIOFDR-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116391 1136551219 /nfs/dbraw/zinc/55/12/19/1136551219.db2.gz KYQSCSMFQIOFDR-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO Cn1c[nH+]cc1CNc1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000853635975 1136551550 /nfs/dbraw/zinc/55/15/50/1136551550.db2.gz PLPZUCCLXIZVFC-UHFFFAOYSA-N 1 2 325.121 3.753 20 0 EHADLO COc1cc(C2SCCS2)ccc1OCc1ccc[nH+]c1N ZINC000853644341 1136552224 /nfs/dbraw/zinc/55/22/24/1136552224.db2.gz KEOKRCHNAKYKJM-UHFFFAOYSA-N 1 2 334.466 3.730 20 0 EHADLO COC[C@H]([NH2+]Cc1cnn(C)c1Cl)c1cccc(C(F)(F)F)c1 ZINC000815125332 1136553690 /nfs/dbraw/zinc/55/36/90/1136553690.db2.gz WYUSFRFJBUPCSZ-ZDUSSCGKSA-N 1 2 347.768 3.570 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc3c(s1)CCCC3)O[C@H](C)C2 ZINC000776687555 1136554023 /nfs/dbraw/zinc/55/40/23/1136554023.db2.gz FJNUYZUEAXAZLH-GFCCVEGCSA-N 1 2 344.480 3.644 20 0 EHADLO COc1nc2ccccc2cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152474 1136557878 /nfs/dbraw/zinc/55/78/78/1136557878.db2.gz UVNNLKVMPYBEAW-UHFFFAOYSA-N 1 2 332.325 3.951 20 0 EHADLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2sccc2Cl)C1 ZINC000854079936 1136586516 /nfs/dbraw/zinc/58/65/16/1136586516.db2.gz RZYIMGIFIVNZIM-UHFFFAOYSA-N 1 2 346.843 3.620 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C2(c3ccc(F)cc3)CCCCC2)no1 ZINC000854155119 1136593504 /nfs/dbraw/zinc/59/35/04/1136593504.db2.gz GBJUBPNEWQQOMQ-INIZCTEOSA-N 1 2 347.434 3.884 20 0 EHADLO CC(C)(C)NC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001202490913 1136602172 /nfs/dbraw/zinc/60/21/72/1136602172.db2.gz OALOZCWENOVJIY-UHFFFAOYSA-N 1 2 341.858 3.541 20 0 EHADLO CCCC[C@@](C)(F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344210 1136609609 /nfs/dbraw/zinc/60/96/09/1136609609.db2.gz SYXFSYHJMUDIEH-HNAYVOBHSA-N 1 2 335.467 3.844 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC(C)(C)C3CC3)CC2)cc1 ZINC000815700011 1136630383 /nfs/dbraw/zinc/63/03/83/1136630383.db2.gz SDWISLWUPSNBRD-UHFFFAOYSA-N 1 2 343.515 3.664 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC000855012285 1136660760 /nfs/dbraw/zinc/66/07/60/1136660760.db2.gz KXBHRMZUUXTYNR-KRWDZBQOSA-N 1 2 325.456 3.752 20 0 EHADLO CCCN(C(=O)c1cccc2[nH+]ccn21)[C@H](C)c1ccccc1OC ZINC000776804339 1136686045 /nfs/dbraw/zinc/68/60/45/1136686045.db2.gz FBLNNDUURGYHSE-OAHLLOKOSA-N 1 2 337.423 3.956 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cn1nc(C(C)(C)C)ccc1=O ZINC000113246692 1136688228 /nfs/dbraw/zinc/68/82/28/1136688228.db2.gz LRAHNNRQSDPEKM-UHFFFAOYSA-N 1 2 345.462 3.592 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cn1nc(C(C)(C)C)ccc1=O ZINC000113246692 1136688230 /nfs/dbraw/zinc/68/82/30/1136688230.db2.gz LRAHNNRQSDPEKM-UHFFFAOYSA-N 1 2 345.462 3.592 20 0 EHADLO CC(C)C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000776820793 1136709883 /nfs/dbraw/zinc/70/98/83/1136709883.db2.gz GCCOZUCVXIYKFA-KGLIPLIRSA-N 1 2 331.464 3.587 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC000816398053 1136709863 /nfs/dbraw/zinc/70/98/63/1136709863.db2.gz VOVYWYSWIKDAIS-HNNXBMFYSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC000816398053 1136709867 /nfs/dbraw/zinc/70/98/67/1136709867.db2.gz VOVYWYSWIKDAIS-HNNXBMFYSA-N 1 2 327.428 3.646 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648312 1136744951 /nfs/dbraw/zinc/74/49/51/1136744951.db2.gz IOMWORXBFYNFLW-QWRGUYRKSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648312 1136744954 /nfs/dbraw/zinc/74/49/54/1136744954.db2.gz IOMWORXBFYNFLW-QWRGUYRKSA-N 1 2 328.250 3.697 20 0 EHADLO c1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)[nH+]cc1N1CCCCC1 ZINC000776849224 1136746658 /nfs/dbraw/zinc/74/66/58/1136746658.db2.gz XOLQLPVUKHOOAO-INMHGKMJSA-N 1 2 335.542 3.863 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)c2cccc3[nH+]ccn32)c1C ZINC000776854557 1136747568 /nfs/dbraw/zinc/74/75/68/1136747568.db2.gz HDXFAVLSZTZSCS-UHFFFAOYSA-N 1 2 336.395 3.634 20 0 EHADLO Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cccc3[nH+]ccn32)c1C ZINC000776852881 1136747612 /nfs/dbraw/zinc/74/76/12/1136747612.db2.gz PRWPCHKXBJBGDZ-UHFFFAOYSA-N 1 2 332.407 3.671 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[C@H]3C)CC2)cc1 ZINC001135844443 1136786180 /nfs/dbraw/zinc/78/61/80/1136786180.db2.gz ZWMMJQNYKWFWIH-IEBWSBKVSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856718326 1136802665 /nfs/dbraw/zinc/80/26/65/1136802665.db2.gz NBQTXBZIRLUMMU-CQSZACIVSA-N 1 2 327.465 3.566 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856718326 1136802668 /nfs/dbraw/zinc/80/26/68/1136802668.db2.gz NBQTXBZIRLUMMU-CQSZACIVSA-N 1 2 327.465 3.566 20 0 EHADLO CCOc1ccc(OC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001135911453 1136804641 /nfs/dbraw/zinc/80/46/41/1136804641.db2.gz JLHUMNOBNFPWMH-SFHVURJKSA-N 1 2 336.391 3.936 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC001136051150 1136844624 /nfs/dbraw/zinc/84/46/24/1136844624.db2.gz SNKLFLPLXQWPNB-IBGZPJMESA-N 1 2 338.451 3.645 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC001136051150 1136844625 /nfs/dbraw/zinc/84/46/25/1136844625.db2.gz SNKLFLPLXQWPNB-IBGZPJMESA-N 1 2 338.451 3.645 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000818223148 1136867479 /nfs/dbraw/zinc/86/74/79/1136867479.db2.gz QYGDPXHFMRPPTL-UHFFFAOYSA-N 1 2 332.757 3.568 20 0 EHADLO CO[C@H]1C[C@H]2C[C@H]([NH2+]c3ccc(N4CCSCC4)cc3)C[C@H]2C1 ZINC000818338226 1136871633 /nfs/dbraw/zinc/87/16/33/1136871633.db2.gz XAHBBYRWPNTYMU-UBLXZXQXSA-N 1 2 332.513 3.855 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001136178779 1136896815 /nfs/dbraw/zinc/89/68/15/1136896815.db2.gz JFOGWKNYDPFSEL-HNNXBMFYSA-N 1 2 337.398 3.774 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001136178780 1136896851 /nfs/dbraw/zinc/89/68/51/1136896851.db2.gz JFOGWKNYDPFSEL-OAHLLOKOSA-N 1 2 337.398 3.774 20 0 EHADLO O=C(/C=C/[C@@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000819111728 1136915165 /nfs/dbraw/zinc/91/51/65/1136915165.db2.gz UEEGYIQKMUTCIY-ZGKFYVQTSA-N 1 2 337.423 3.560 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c(Cl)c1 ZINC000857878243 1136917611 /nfs/dbraw/zinc/91/76/11/1136917611.db2.gz VOHJTQVLRKSXHC-XIKOKIGWSA-N 1 2 344.842 3.713 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857934820 1136924168 /nfs/dbraw/zinc/92/41/68/1136924168.db2.gz BIXADPJVYQAJRS-KRWDZBQOSA-N 1 2 341.455 3.587 20 0 EHADLO CC(C)(c1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1)C(F)(F)F ZINC000857980112 1136926925 /nfs/dbraw/zinc/92/69/25/1136926925.db2.gz UGGUPVMDPPFXRC-CYBMUJFWSA-N 1 2 337.345 3.598 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(OCC2CCCCC2)cc1 ZINC000857986763 1136927194 /nfs/dbraw/zinc/92/71/94/1136927194.db2.gz SHQYRSYRNXZNOK-SFHVURJKSA-N 1 2 339.439 3.717 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(Sc2ccccc2)CCCC1 ZINC000857986816 1136927202 /nfs/dbraw/zinc/92/72/02/1136927202.db2.gz STCHVJSUGVFUKY-HNNXBMFYSA-N 1 2 327.453 3.549 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(Sc2ccccc2)CCCC1 ZINC000857986818 1136927569 /nfs/dbraw/zinc/92/75/69/1136927569.db2.gz STCHVJSUGVFUKY-OAHLLOKOSA-N 1 2 327.453 3.549 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013838 1136930538 /nfs/dbraw/zinc/93/05/38/1136930538.db2.gz GKSHCVCXLKBLJO-CJNGLKHVSA-N 1 2 342.443 3.509 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013838 1136930540 /nfs/dbraw/zinc/93/05/40/1136930540.db2.gz GKSHCVCXLKBLJO-CJNGLKHVSA-N 1 2 342.443 3.509 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)[C@H]2C ZINC001170931607 1136952769 /nfs/dbraw/zinc/95/27/69/1136952769.db2.gz QFFQKJGEKBRDEJ-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)[C@H]2C ZINC001170931607 1136952771 /nfs/dbraw/zinc/95/27/71/1136952771.db2.gz QFFQKJGEKBRDEJ-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC001136246916 1136955014 /nfs/dbraw/zinc/95/50/14/1136955014.db2.gz FIZHUWZYRLCXCI-INIZCTEOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC001136246916 1136955015 /nfs/dbraw/zinc/95/50/15/1136955015.db2.gz FIZHUWZYRLCXCI-INIZCTEOSA-N 1 2 329.831 3.647 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cs1 ZINC000858320795 1136957936 /nfs/dbraw/zinc/95/79/36/1136957936.db2.gz JASOVJZQZWZOMZ-MRXNPFEDSA-N 1 2 349.887 3.946 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(-c2ccccc2)n(C)n1 ZINC000858378667 1136962967 /nfs/dbraw/zinc/96/29/67/1136962967.db2.gz OEJJMUCKXYMUCB-OAHLLOKOSA-N 1 2 349.434 3.709 20 0 EHADLO C[C@]12CCN(c3nc4ccccc4n4c[nH+]cc34)C[C@H]1C2(Cl)Cl ZINC000858532933 1136976558 /nfs/dbraw/zinc/97/65/58/1136976558.db2.gz OUFRKCYQHGNDLT-ZBFHGGJFSA-N 1 2 347.249 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1C ZINC000858925967 1136997110 /nfs/dbraw/zinc/99/71/10/1136997110.db2.gz CPXPJMCUMRTIOT-QZTJIDSGSA-N 1 2 338.451 3.907 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccc(SC)s2)c1C ZINC000858928356 1136997306 /nfs/dbraw/zinc/99/73/06/1136997306.db2.gz VBFUSWJNMQEVHK-ALCCZGGFSA-N 1 2 348.493 3.820 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)n2)C1 ZINC001136350961 1136997290 /nfs/dbraw/zinc/99/72/90/1136997290.db2.gz AIHZFQYZAZWBER-LFYQSXPISA-N 1 2 347.528 3.996 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)n2)C1 ZINC001136350961 1136997292 /nfs/dbraw/zinc/99/72/92/1136997292.db2.gz AIHZFQYZAZWBER-LFYQSXPISA-N 1 2 347.528 3.996 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1C ZINC000858928466 1136997430 /nfs/dbraw/zinc/99/74/30/1136997430.db2.gz WKUKGNNYNVQVAW-DLBZAZTESA-N 1 2 342.414 3.656 20 0 EHADLO Nc1ccc(CNc2nc(Cl)c(C(F)(F)F)cc2Cl)c[nH+]1 ZINC000820685620 1137001009 /nfs/dbraw/zinc/00/10/09/1137001009.db2.gz FMERFVCQJBRKKU-UHFFFAOYSA-N 1 2 337.132 3.997 20 0 EHADLO Cn1nc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1Cl ZINC000859077783 1137002171 /nfs/dbraw/zinc/00/21/71/1137002171.db2.gz VIFJHCFSNHWMQV-UHFFFAOYSA-N 1 2 333.863 3.624 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820858966 1137006967 /nfs/dbraw/zinc/00/69/67/1137006967.db2.gz CPSGPECDKHVKIF-SXLOBPIMSA-N 1 2 339.483 3.870 20 0 EHADLO CC1=CC[C@@](C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001136385608 1137008515 /nfs/dbraw/zinc/00/85/15/1137008515.db2.gz ALXPMGSCSNYKTL-OAQYLSRUSA-N 1 2 341.499 3.509 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](C)CSc1ccccc1C ZINC000859349881 1137012491 /nfs/dbraw/zinc/01/24/91/1137012491.db2.gz JHBBLUCXUCZHHZ-GUYCJALGSA-N 1 2 327.465 3.604 20 0 EHADLO COc1cc(C)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136488570 1137035210 /nfs/dbraw/zinc/03/52/10/1137035210.db2.gz QQBHQZPDMFBPJR-MRXNPFEDSA-N 1 2 335.407 3.887 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC[C@@H]2CCc3ccccc32)c1C ZINC001136490147 1137037663 /nfs/dbraw/zinc/03/76/63/1137037663.db2.gz SLBPDIGVOGRZCT-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000859951218 1137038492 /nfs/dbraw/zinc/03/84/92/1137038492.db2.gz KRDNLGWITQSHIR-YNEHKIRRSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000859951218 1137038494 /nfs/dbraw/zinc/03/84/94/1137038494.db2.gz KRDNLGWITQSHIR-YNEHKIRRSA-N 1 2 343.254 3.552 20 0 EHADLO FC(F)COc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000777133054 1137039729 /nfs/dbraw/zinc/03/97/29/1137039729.db2.gz HIQGIJCVLVSFMO-UHFFFAOYSA-N 1 2 333.382 3.806 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccns3)nc(=O)c2c1C ZINC000860054902 1137042454 /nfs/dbraw/zinc/04/24/54/1137042454.db2.gz PFUIGBXLQHHVGL-IUCAKERBSA-N 1 2 334.470 3.882 20 0 EHADLO CN(C)c1cc(COC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000860149124 1137046548 /nfs/dbraw/zinc/04/65/48/1137046548.db2.gz GRISTYWOPWEKGV-IAGOWNOFSA-N 1 2 328.387 3.524 20 0 EHADLO CC(C)C[C@H](NCc1c[nH+]cn1C(C)C)C(=O)OCc1ccccc1 ZINC000822476220 1137061534 /nfs/dbraw/zinc/06/15/34/1137061534.db2.gz JKISVSBQBIXMQD-IBGZPJMESA-N 1 2 343.471 3.712 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000860615578 1137069266 /nfs/dbraw/zinc/06/92/66/1137069266.db2.gz CAWWYYDGAMGPJZ-BMGDILEWSA-N 1 2 338.794 3.617 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2c1CCC2 ZINC000822725931 1137071769 /nfs/dbraw/zinc/07/17/69/1137071769.db2.gz KKVVFIXWBUBYST-SFHVURJKSA-N 1 2 325.456 3.525 20 0 EHADLO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136624653 1137072930 /nfs/dbraw/zinc/07/29/30/1137072930.db2.gz DOPHDBYPYNONKW-ZWKOTPCHSA-N 1 2 347.418 3.932 20 0 EHADLO CC(C)OC1(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CCC1 ZINC000823258108 1137091962 /nfs/dbraw/zinc/09/19/62/1137091962.db2.gz JRNNVAKZMCQVSF-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO CC(C)C[C@H](C(=O)NCC[C@]1(C)CC1(Cl)Cl)n1cc[nH+]c1 ZINC000823386325 1137097236 /nfs/dbraw/zinc/09/72/36/1137097236.db2.gz SHARQQUBJHRWKA-TZMCWYRMSA-N 1 2 332.275 3.561 20 0 EHADLO CC(C)C[C@H](C(=O)NCC[C@@]1(C)CC1(Cl)Cl)n1cc[nH+]c1 ZINC000823386324 1137097391 /nfs/dbraw/zinc/09/73/91/1137097391.db2.gz SHARQQUBJHRWKA-OCCSQVGLSA-N 1 2 332.275 3.561 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(CCCC2CCCCC2)n1 ZINC000823401798 1137098319 /nfs/dbraw/zinc/09/83/19/1137098319.db2.gz JXCSCVYVNRNGRK-AWEZNQCLSA-N 1 2 337.464 3.704 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001137560608 1137124781 /nfs/dbraw/zinc/12/47/81/1137124781.db2.gz FSYQNZCMKFOEKG-YGRLFVJLSA-N 1 2 330.653 3.713 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001137560608 1137124782 /nfs/dbraw/zinc/12/47/82/1137124782.db2.gz FSYQNZCMKFOEKG-YGRLFVJLSA-N 1 2 330.653 3.713 20 0 EHADLO O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136833783 1137126602 /nfs/dbraw/zinc/12/66/02/1137126602.db2.gz BPKPJSSHIZJWDG-VNTMZGSJSA-N 1 2 349.478 3.800 20 0 EHADLO Clc1cccc2c1CC[C@@H](N1CC[NH+](Cc3ccco3)CC1)C2 ZINC001171050559 1137128254 /nfs/dbraw/zinc/12/82/54/1137128254.db2.gz SBXDWOUXSJXXLQ-MRXNPFEDSA-N 1 2 330.859 3.608 20 0 EHADLO COCC1CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001136849578 1137131098 /nfs/dbraw/zinc/13/10/98/1137131098.db2.gz PPRLDSZCOBJGFB-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO CCCCCC[C@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001171051731 1137132343 /nfs/dbraw/zinc/13/23/43/1137132343.db2.gz QNKCRAWVIISXGQ-KRWDZBQOSA-N 1 2 346.519 3.769 20 0 EHADLO O=C(Cc1cc(-c2ccccc2)on1)Nc1ccccc1-n1cc[nH+]c1 ZINC000118875126 1137138011 /nfs/dbraw/zinc/13/80/11/1137138011.db2.gz KRFWGUYFNHLDNQ-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2)n1cc[nH+]c1 ZINC000824452266 1137138371 /nfs/dbraw/zinc/13/83/71/1137138371.db2.gz FXPUQYHRBPNMCG-OALUTQOASA-N 1 2 341.455 3.869 20 0 EHADLO CC(C)c1nc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)cs1 ZINC000824732948 1137150632 /nfs/dbraw/zinc/15/06/32/1137150632.db2.gz BJIYLSRHQHTVRX-UHFFFAOYSA-N 1 2 339.505 3.754 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)cs1 ZINC000824732948 1137150633 /nfs/dbraw/zinc/15/06/33/1137150633.db2.gz BJIYLSRHQHTVRX-UHFFFAOYSA-N 1 2 339.505 3.754 20 0 EHADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946353 1137153291 /nfs/dbraw/zinc/15/32/91/1137153291.db2.gz WRGIRMYKFWCTKT-MRXNPFEDSA-N 1 2 345.446 3.564 20 0 EHADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946353 1137153293 /nfs/dbraw/zinc/15/32/93/1137153293.db2.gz WRGIRMYKFWCTKT-MRXNPFEDSA-N 1 2 345.446 3.564 20 0 EHADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946223 1137153296 /nfs/dbraw/zinc/15/32/96/1137153296.db2.gz RBDNSKWKVSWSEQ-HNNXBMFYSA-N 1 2 334.419 3.895 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946223 1137153298 /nfs/dbraw/zinc/15/32/98/1137153298.db2.gz RBDNSKWKVSWSEQ-HNNXBMFYSA-N 1 2 334.419 3.895 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000824829206 1137155386 /nfs/dbraw/zinc/15/53/86/1137155386.db2.gz HLOFLXHLGADFJU-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(CSCc1ccc(-n2cc[nH+]c2)cc1)OCc1ccccc1 ZINC000794449725 1137161805 /nfs/dbraw/zinc/16/18/05/1137161805.db2.gz NBMCXBMUDCYYIZ-UHFFFAOYSA-N 1 2 338.432 3.849 20 0 EHADLO COc1cccc(C(=O)C2CC[NH+](Cc3cncc(Cl)c3)CC2)c1 ZINC001136989808 1137165587 /nfs/dbraw/zinc/16/55/87/1137165587.db2.gz UBTIYGVLLBLRBU-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1ccsc1=O ZINC000863280817 1137179769 /nfs/dbraw/zinc/17/97/69/1137179769.db2.gz QODFSJOWLCIXGL-UHFFFAOYSA-N 1 2 328.840 3.818 20 0 EHADLO CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1ccsc1=O ZINC000863280817 1137179771 /nfs/dbraw/zinc/17/97/71/1137179771.db2.gz QODFSJOWLCIXGL-UHFFFAOYSA-N 1 2 328.840 3.818 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001143704224 1137192231 /nfs/dbraw/zinc/19/22/31/1137192231.db2.gz AQIGZCFBVFTPKU-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001143704224 1137192232 /nfs/dbraw/zinc/19/22/32/1137192232.db2.gz AQIGZCFBVFTPKU-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC(F)(F)F)C[C@H]12 ZINC001143704439 1137192239 /nfs/dbraw/zinc/19/22/39/1137192239.db2.gz FUPNFVVKDNRXFW-GAJTVXKRSA-N 1 2 335.753 3.705 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC(F)(F)F)C[C@H]12 ZINC001143704439 1137192241 /nfs/dbraw/zinc/19/22/41/1137192241.db2.gz FUPNFVVKDNRXFW-GAJTVXKRSA-N 1 2 335.753 3.705 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143757772 1137197674 /nfs/dbraw/zinc/19/76/74/1137197674.db2.gz MPLGHBQAIHCBDE-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143757772 1137197675 /nfs/dbraw/zinc/19/76/75/1137197675.db2.gz MPLGHBQAIHCBDE-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001171103767 1137198246 /nfs/dbraw/zinc/19/82/46/1137198246.db2.gz UXLPVAPJLXXZIS-LBPRGKRZSA-N 1 2 325.412 3.624 20 0 EHADLO CCNc1cc(CNC(=O)Nc2ccc(C)c(OCC)c2)cc[nH+]1 ZINC001671289431 1137201459 /nfs/dbraw/zinc/20/14/59/1137201459.db2.gz ACDXGEJNVAVBKO-UHFFFAOYSA-N 1 2 328.416 3.542 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC001143810767 1137202591 /nfs/dbraw/zinc/20/25/91/1137202591.db2.gz WKSOHDVHLIVNHS-UHFFFAOYSA-N 1 2 349.780 3.740 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC001143810767 1137202592 /nfs/dbraw/zinc/20/25/92/1137202592.db2.gz WKSOHDVHLIVNHS-UHFFFAOYSA-N 1 2 349.780 3.740 20 0 EHADLO FC(F)(F)c1ccc(CN2CCc3[nH+]ccn3CC2)cc1Cl ZINC001143810893 1137202682 /nfs/dbraw/zinc/20/26/82/1137202682.db2.gz ZLBJRRYBXPTAPW-UHFFFAOYSA-N 1 2 329.753 3.614 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143868010 1137206916 /nfs/dbraw/zinc/20/69/16/1137206916.db2.gz NBBPTRCPBAHFEH-JTQLQIEISA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143868010 1137206918 /nfs/dbraw/zinc/20/69/18/1137206918.db2.gz NBBPTRCPBAHFEH-JTQLQIEISA-N 1 2 334.218 3.908 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143892241 1137208905 /nfs/dbraw/zinc/20/89/05/1137208905.db2.gz SGBZVTPYOTZRSO-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143892241 1137208906 /nfs/dbraw/zinc/20/89/06/1137208906.db2.gz SGBZVTPYOTZRSO-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC000794598366 1137219992 /nfs/dbraw/zinc/21/99/92/1137219992.db2.gz SQSZYPVVVBBJPC-UHFFFAOYSA-N 1 2 349.475 3.773 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC000794598366 1137219994 /nfs/dbraw/zinc/21/99/94/1137219994.db2.gz SQSZYPVVVBBJPC-UHFFFAOYSA-N 1 2 349.475 3.773 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451987 1137221173 /nfs/dbraw/zinc/22/11/73/1137221173.db2.gz KVMGEXJAUPPUAH-KPXOXKRLSA-N 1 2 325.746 3.648 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451987 1137221174 /nfs/dbraw/zinc/22/11/74/1137221174.db2.gz KVMGEXJAUPPUAH-KPXOXKRLSA-N 1 2 325.746 3.648 20 0 EHADLO Cc1c(Br)cccc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844455850 1137221347 /nfs/dbraw/zinc/22/13/47/1137221347.db2.gz PUKMIBUMSRZNMM-LLVKDONJSA-N 1 2 337.217 3.649 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)CC3CCCC3)c2=S)cc1 ZINC000794623154 1137221595 /nfs/dbraw/zinc/22/15/95/1137221595.db2.gz KCQOATLIGKTHKM-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)CC3CCCC3)c2=S)cc1 ZINC000794623154 1137221597 /nfs/dbraw/zinc/22/15/97/1137221597.db2.gz KCQOATLIGKTHKM-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO Cc1cc(C)cc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000145092371 1137221684 /nfs/dbraw/zinc/22/16/84/1137221684.db2.gz OQUBJTLIPONXFK-INIZCTEOSA-N 1 2 330.501 3.901 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C[C@@H]21 ZINC001143991877 1137225958 /nfs/dbraw/zinc/22/59/58/1137225958.db2.gz UMDLKUFOKPKOIB-WDNDVIMCSA-N 1 2 347.764 3.600 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C[C@@H]21 ZINC001143991877 1137225959 /nfs/dbraw/zinc/22/59/59/1137225959.db2.gz UMDLKUFOKPKOIB-WDNDVIMCSA-N 1 2 347.764 3.600 20 0 EHADLO O=C1N[C@@H](Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)c2ccccc21 ZINC001171126377 1137226496 /nfs/dbraw/zinc/22/64/96/1137226496.db2.gz KWGGHMNGTDAHBF-HXUWFJFHSA-N 1 2 340.386 3.880 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+](C)Cc1ccccn1 ZINC001143996864 1137226802 /nfs/dbraw/zinc/22/68/02/1137226802.db2.gz WGRPPPUMCARBSK-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)Cc1ccccn1 ZINC001143996864 1137226803 /nfs/dbraw/zinc/22/68/03/1137226803.db2.gz WGRPPPUMCARBSK-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccccc2OC)oc1=S ZINC000794688012 1137227711 /nfs/dbraw/zinc/22/77/11/1137227711.db2.gz LYVOTSUGJIGFQN-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccccc2OC)oc1=S ZINC000794688012 1137227712 /nfs/dbraw/zinc/22/77/12/1137227712.db2.gz LYVOTSUGJIGFQN-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccccn2)c(OC(F)(F)F)c1 ZINC001144047441 1137231534 /nfs/dbraw/zinc/23/15/34/1137231534.db2.gz LMYFWNAOCMBIPZ-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccccn2)c(OC(F)(F)F)c1 ZINC001144047441 1137231536 /nfs/dbraw/zinc/23/15/36/1137231536.db2.gz LMYFWNAOCMBIPZ-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138161 1137243010 /nfs/dbraw/zinc/24/30/10/1137243010.db2.gz QWHQTQXDVMFPCV-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138161 1137243011 /nfs/dbraw/zinc/24/30/11/1137243011.db2.gz QWHQTQXDVMFPCV-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)CC12CCCC2 ZINC000844682493 1137246510 /nfs/dbraw/zinc/24/65/10/1137246510.db2.gz HUGAWRFBYKHEBZ-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)CC12CCCC2 ZINC000844682493 1137246511 /nfs/dbraw/zinc/24/65/11/1137246511.db2.gz HUGAWRFBYKHEBZ-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844695026 1137248387 /nfs/dbraw/zinc/24/83/87/1137248387.db2.gz RWYYIEYSISSASX-GFCCVEGCSA-N 1 2 339.892 3.951 20 0 EHADLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844695026 1137248389 /nfs/dbraw/zinc/24/83/89/1137248389.db2.gz RWYYIEYSISSASX-GFCCVEGCSA-N 1 2 339.892 3.951 20 0 EHADLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cn1cccnc1=S ZINC000844740888 1137248930 /nfs/dbraw/zinc/24/89/30/1137248930.db2.gz JRAVYIKEFBSCQU-HNNXBMFYSA-N 1 2 345.468 3.597 20 0 EHADLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cn1cccnc1=S ZINC000844740888 1137248932 /nfs/dbraw/zinc/24/89/32/1137248932.db2.gz JRAVYIKEFBSCQU-HNNXBMFYSA-N 1 2 345.468 3.597 20 0 EHADLO Cc1ccc([C@]2(C)C[N@H+](Cc3[nH]nc4ccc(F)cc43)CCO2)cc1 ZINC001144201516 1137250726 /nfs/dbraw/zinc/25/07/26/1137250726.db2.gz BUIBPLIERRIBQV-FQEVSTJZSA-N 1 2 339.414 3.758 20 0 EHADLO Cc1ccc([C@]2(C)C[N@@H+](Cc3[nH]nc4ccc(F)cc43)CCO2)cc1 ZINC001144201516 1137250728 /nfs/dbraw/zinc/25/07/28/1137250728.db2.gz BUIBPLIERRIBQV-FQEVSTJZSA-N 1 2 339.414 3.758 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC4(Cc5ccccc5O4)CC3)c2c1 ZINC001144202423 1137253637 /nfs/dbraw/zinc/25/36/37/1137253637.db2.gz OSPOIJSYGHEXDH-UHFFFAOYSA-N 1 2 337.398 3.672 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140753 1137265025 /nfs/dbraw/zinc/26/50/25/1137265025.db2.gz JPPUYZTVTHILGS-AWEZNQCLSA-N 1 2 334.423 3.788 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865159376 1137265935 /nfs/dbraw/zinc/26/59/35/1137265935.db2.gz QQNWKYKQLWBSBZ-LJQANCHMSA-N 1 2 333.435 3.833 20 0 EHADLO Fc1c[nH+]ccc1NCc1ccc2ncc(Br)cc2c1 ZINC001171158520 1137269840 /nfs/dbraw/zinc/26/98/40/1137269840.db2.gz PHYUUTCOJIBIFN-UHFFFAOYSA-N 1 2 332.176 3.565 20 0 EHADLO C[C@@H](CC(=O)OCCCOc1cccc2ccccc21)n1cc[nH+]c1 ZINC000845280036 1137283326 /nfs/dbraw/zinc/28/33/26/1137283326.db2.gz AXGYLRJGLROWHM-INIZCTEOSA-N 1 2 338.407 4.000 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845287173 1137283479 /nfs/dbraw/zinc/28/34/79/1137283479.db2.gz WAVJOASJQHXPGD-RDJZCZTQSA-N 1 2 331.504 3.731 20 0 EHADLO CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845283133 1137283553 /nfs/dbraw/zinc/28/35/53/1137283553.db2.gz TXNYTDFUYORMEQ-GJZGRUSLSA-N 1 2 328.412 3.772 20 0 EHADLO C[C@@H](CC(=O)OCCc1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000845284870 1137283634 /nfs/dbraw/zinc/28/36/34/1137283634.db2.gz OYCZTXGLQAYCDH-NSHDSACASA-N 1 2 327.211 3.927 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845287172 1137283683 /nfs/dbraw/zinc/28/36/83/1137283683.db2.gz WAVJOASJQHXPGD-NVXWUHKLSA-N 1 2 331.504 3.731 20 0 EHADLO Cc1csc([C@@H]([NH2+]Cc2cccnc2Br)C2CC2)n1 ZINC000865474524 1137286868 /nfs/dbraw/zinc/28/68/68/1137286868.db2.gz JHQAGBGZKGDJSO-LBPRGKRZSA-N 1 2 338.274 3.850 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3ccncc3Br)ccc21 ZINC000865499514 1137289267 /nfs/dbraw/zinc/28/92/67/1137289267.db2.gz ITZWKPWJWTYWMW-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3ccncc3Br)ccc21 ZINC000865499514 1137289269 /nfs/dbraw/zinc/28/92/69/1137289269.db2.gz ITZWKPWJWTYWMW-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)nc1 ZINC001144433339 1137292060 /nfs/dbraw/zinc/29/20/60/1137292060.db2.gz DQOHXELYJUSSGQ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)nc1 ZINC001144433339 1137292061 /nfs/dbraw/zinc/29/20/61/1137292061.db2.gz DQOHXELYJUSSGQ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1F ZINC000845438437 1137292245 /nfs/dbraw/zinc/29/22/45/1137292245.db2.gz JNZZNYQZFNDNMD-YOEHRIQHSA-N 1 2 344.434 3.600 20 0 EHADLO CCOc1cc(F)cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000865532705 1137292494 /nfs/dbraw/zinc/29/24/94/1137292494.db2.gz LOPVYHJSNBUXGK-UHFFFAOYSA-N 1 2 336.407 3.817 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCc2ccc(Cl)cc21 ZINC000845460467 1137293451 /nfs/dbraw/zinc/29/34/51/1137293451.db2.gz WUZUJHSEZDGQEX-INIZCTEOSA-N 1 2 330.815 3.646 20 0 EHADLO CN(c1ccc(Nc2cc(F)ccc2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212614398 1137293842 /nfs/dbraw/zinc/29/38/42/1137293842.db2.gz MAWGXSCCGMCTJN-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845473911 1137294046 /nfs/dbraw/zinc/29/40/46/1137294046.db2.gz BWROARNBHAYHJN-SFHVURJKSA-N 1 2 326.440 3.635 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001144441926 1137296031 /nfs/dbraw/zinc/29/60/31/1137296031.db2.gz AWYWDLRLOHZRIB-AQDCRGGLSA-N 1 2 348.490 3.956 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cc(Cl)ccc1Cl ZINC000845512524 1137296311 /nfs/dbraw/zinc/29/63/11/1137296311.db2.gz YVRYFGGREXSEJL-UHFFFAOYSA-N 1 2 339.222 3.812 20 0 EHADLO COCc1ccccc1/C=C(\C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845578954 1137299533 /nfs/dbraw/zinc/29/95/33/1137299533.db2.gz NHHOEQXPCZHVPG-AAGJOFLKSA-N 1 2 328.412 3.627 20 0 EHADLO COc1cc(Cl)cc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001144489636 1137300081 /nfs/dbraw/zinc/30/00/81/1137300081.db2.gz MFGKADVTWKBFEN-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO COc1ccc(Br)c(C[NH+]2CC3(C2)CCCCC3)n1 ZINC001144610502 1137317186 /nfs/dbraw/zinc/31/71/86/1137317186.db2.gz XHVSCAQMRJLYMU-UHFFFAOYSA-N 1 2 325.250 3.619 20 0 EHADLO COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)CCCn1cc[nH+]c1 ZINC000120926800 1137332824 /nfs/dbraw/zinc/33/28/24/1137332824.db2.gz FLDIKDZFRRQOHI-MJGOQNOKSA-N 1 2 342.439 3.627 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866199104 1137335149 /nfs/dbraw/zinc/33/51/49/1137335149.db2.gz IOCZRAFSNDWQGR-UHFFFAOYSA-N 1 2 349.438 3.852 20 0 EHADLO CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000866230857 1137336749 /nfs/dbraw/zinc/33/67/49/1137336749.db2.gz FUYDRWSAKQDAHO-KXBFYZLASA-N 1 2 331.387 3.655 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144727123 1137337022 /nfs/dbraw/zinc/33/70/22/1137337022.db2.gz RFJDIGNEPCGOJC-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144727123 1137337024 /nfs/dbraw/zinc/33/70/24/1137337024.db2.gz RFJDIGNEPCGOJC-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H](C)CCc1cccnc1 ZINC000866316978 1137345346 /nfs/dbraw/zinc/34/53/46/1137345346.db2.gz XKSKERLZIIFXQU-KRWDZBQOSA-N 1 2 325.456 3.660 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CCO1 ZINC000866334569 1137346734 /nfs/dbraw/zinc/34/67/34/1137346734.db2.gz WGMODGXVPVSQRJ-KNTRFNDTSA-N 1 2 342.483 3.671 20 0 EHADLO CC1(c2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)OCCO1 ZINC000866422996 1137353654 /nfs/dbraw/zinc/35/36/54/1137353654.db2.gz VDFHIUQBXALNGT-IBGZPJMESA-N 1 2 349.434 3.508 20 0 EHADLO Fc1cc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)ccn1 ZINC000866475069 1137357842 /nfs/dbraw/zinc/35/78/42/1137357842.db2.gz RNWDZBLLPNIHHI-GFCCVEGCSA-N 1 2 342.237 3.681 20 0 EHADLO Cc1cccc2cc(C(=O)NCCCCn3cc[nH+]c3)c(Cl)nc12 ZINC000846631740 1137359716 /nfs/dbraw/zinc/35/97/16/1137359716.db2.gz DCCGNTMUZMGRQC-UHFFFAOYSA-N 1 2 342.830 3.603 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC001144927962 1137364425 /nfs/dbraw/zinc/36/44/25/1137364425.db2.gz UHZOWCMZVGRUCJ-ZWOKBUDYSA-N 1 2 344.499 3.727 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1nccs1)c1cccc(Br)c1 ZINC000866597704 1137367952 /nfs/dbraw/zinc/36/79/52/1137367952.db2.gz YAEFHXBVBFOBGR-GWCFXTLKSA-N 1 2 341.274 3.944 20 0 EHADLO CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000846808253 1137368647 /nfs/dbraw/zinc/36/86/47/1137368647.db2.gz JWXFRPBUFZGVBD-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO CC[N@@H+](Cc1cnc(Cl)c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000846808253 1137368649 /nfs/dbraw/zinc/36/86/49/1137368649.db2.gz JWXFRPBUFZGVBD-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO CN(c1ccc(Nc2cc(C(N)=O)ccc2F)c[nH+]1)C1CCCCC1 ZINC001212615053 1137375394 /nfs/dbraw/zinc/37/53/94/1137375394.db2.gz FCRYEBWOMKIAHP-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000866745256 1137375884 /nfs/dbraw/zinc/37/58/84/1137375884.db2.gz VPYNKDRNACRGJO-ONEGZZNKSA-N 1 2 343.374 3.525 20 0 EHADLO CC(=O)C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000846951244 1137378554 /nfs/dbraw/zinc/37/85/54/1137378554.db2.gz PGRQWKXVFKDQEU-UHFFFAOYSA-N 1 2 330.653 3.904 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nnc(-c2cccs2)o1)OCC ZINC000846968855 1137379999 /nfs/dbraw/zinc/37/99/99/1137379999.db2.gz JTYWXOZTYKSXPS-LBPRGKRZSA-N 1 2 339.461 3.580 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nnc(-c2cccs2)o1)OCC ZINC000846968855 1137380001 /nfs/dbraw/zinc/38/00/01/1137380001.db2.gz JTYWXOZTYKSXPS-LBPRGKRZSA-N 1 2 339.461 3.580 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)N(c1ccccc1)c1ccccc1 ZINC000867710929 1137384636 /nfs/dbraw/zinc/38/46/36/1137384636.db2.gz LCBKVVPAXYVWDE-KRWDZBQOSA-N 1 2 341.430 3.968 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)N(c1ccccc1)c1ccccc1 ZINC000867710929 1137384638 /nfs/dbraw/zinc/38/46/38/1137384638.db2.gz LCBKVVPAXYVWDE-KRWDZBQOSA-N 1 2 341.430 3.968 20 0 EHADLO CN(c1ccc(Nc2ccc3[nH]c(=O)cnc3c2)c[nH+]1)C1CCCCC1 ZINC001212615447 1137389888 /nfs/dbraw/zinc/38/98/88/1137389888.db2.gz YUXHYXDNJYUHTK-UHFFFAOYSA-N 1 2 349.438 3.831 20 0 EHADLO CCC[C@H]([NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OCC ZINC001171299981 1137401946 /nfs/dbraw/zinc/40/19/46/1137401946.db2.gz UCUQSYGFPPFXEN-LRDDRELGSA-N 1 2 339.863 3.527 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@@H](C)C3)CC2)s1 ZINC001147256618 1137402777 /nfs/dbraw/zinc/40/27/77/1137402777.db2.gz DXCZMENGOYCGCO-HZPDHXFCSA-N 1 2 334.529 3.781 20 0 EHADLO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ncc(Cl)s2)CC1 ZINC001148142942 1137418282 /nfs/dbraw/zinc/41/82/82/1137418282.db2.gz WANDRENPGAYTTM-CQSZACIVSA-N 1 2 349.887 3.706 20 0 EHADLO O=C(C[NH+]1CCCC1)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC001148644478 1137429519 /nfs/dbraw/zinc/42/95/19/1137429519.db2.gz ZCRNIZQIKHYBFV-UHFFFAOYSA-N 1 2 326.444 3.645 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1)c1ccccc1 ZINC000348221970 1137453728 /nfs/dbraw/zinc/45/37/28/1137453728.db2.gz CCEQTKKJXTZPFW-CPLUKWAASA-N 1 2 344.499 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1)c1ccccc1 ZINC000348221970 1137453729 /nfs/dbraw/zinc/45/37/29/1137453729.db2.gz CCEQTKKJXTZPFW-CPLUKWAASA-N 1 2 344.499 3.532 20 0 EHADLO CCCCOc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC ZINC000282808684 1137454684 /nfs/dbraw/zinc/45/46/84/1137454684.db2.gz XSPFICFVRGRAMQ-UHFFFAOYSA-N 1 2 346.475 3.510 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC ZINC001171360929 1137457343 /nfs/dbraw/zinc/45/73/43/1137457343.db2.gz PNMMXBBPCSTSMV-PBHICJAKSA-N 1 2 325.399 3.534 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000122667991 1137458216 /nfs/dbraw/zinc/45/82/16/1137458216.db2.gz PWVMCSKCYRGBKH-UHFFFAOYSA-N 1 2 345.752 3.703 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000122667991 1137458217 /nfs/dbraw/zinc/45/82/17/1137458217.db2.gz PWVMCSKCYRGBKH-UHFFFAOYSA-N 1 2 345.752 3.703 20 0 EHADLO Clc1ccc(Br)c2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000339096447 1137472990 /nfs/dbraw/zinc/47/29/90/1137472990.db2.gz UFMHPGZQPWZROM-SNVBAGLBSA-N 1 2 330.653 3.640 20 0 EHADLO Clc1ccc(Br)c2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC000339096447 1137472992 /nfs/dbraw/zinc/47/29/92/1137472992.db2.gz UFMHPGZQPWZROM-SNVBAGLBSA-N 1 2 330.653 3.640 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC=CCC3)n2)C1 ZINC000339101176 1137486826 /nfs/dbraw/zinc/48/68/26/1137486826.db2.gz GMXZNUXSNTWHFS-CABCVRRESA-N 1 2 348.516 3.853 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC=CCC3)n2)C1 ZINC000339101176 1137486828 /nfs/dbraw/zinc/48/68/28/1137486828.db2.gz GMXZNUXSNTWHFS-CABCVRRESA-N 1 2 348.516 3.853 20 0 EHADLO CCC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171463586 1137490763 /nfs/dbraw/zinc/49/07/63/1137490763.db2.gz WQLZACNHRRZFMM-PBHICJAKSA-N 1 2 339.426 3.922 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1CCc3c(C)cccc3C1)[C@@H]2C ZINC001171566968 1137498253 /nfs/dbraw/zinc/49/82/53/1137498253.db2.gz LQDNQNAKLGUWGV-SJLPKXTDSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1CCc3c(C)cccc3C1)[C@@H]2C ZINC001171566968 1137498254 /nfs/dbraw/zinc/49/82/54/1137498254.db2.gz LQDNQNAKLGUWGV-SJLPKXTDSA-N 1 2 339.483 3.662 20 0 EHADLO Cc1nc([C@H]2COCC[N@@H+]2[C@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567158 1137498485 /nfs/dbraw/zinc/49/84/85/1137498485.db2.gz NOTAXTZYKRFURF-QFBILLFUSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@H]2COCC[N@H+]2[C@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567158 1137498486 /nfs/dbraw/zinc/49/84/86/1137498486.db2.gz NOTAXTZYKRFURF-QFBILLFUSA-N 1 2 328.481 3.691 20 0 EHADLO CCOC(=O)[C@H]([NH2+]C[C@@H](OC)C1CCCC1)C1CCCCCC1 ZINC001171613833 1137500604 /nfs/dbraw/zinc/50/06/04/1137500604.db2.gz OOHDIHRWMLTFEA-QZTJIDSGSA-N 1 2 325.493 3.683 20 0 EHADLO Cc1ccoc1C[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000795150287 1137515699 /nfs/dbraw/zinc/51/56/99/1137515699.db2.gz APFIDGNNBLJXTQ-KRWDZBQOSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccoc1C[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000795150287 1137515701 /nfs/dbraw/zinc/51/57/01/1137515701.db2.gz APFIDGNNBLJXTQ-KRWDZBQOSA-N 1 2 326.440 3.751 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172326758 1137547605 /nfs/dbraw/zinc/54/76/05/1137547605.db2.gz BSPJEWJEAHGJBO-SJORKVTESA-N 1 2 333.472 3.836 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(O)c2F)c1 ZINC000872043046 1137567445 /nfs/dbraw/zinc/56/74/45/1137567445.db2.gz VMRRZSJZNCRDPO-JTQLQIEISA-N 1 2 341.329 3.992 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872057414 1137568464 /nfs/dbraw/zinc/56/84/64/1137568464.db2.gz YEIDNWJWARWWEX-LPHOPBHVSA-N 1 2 332.488 3.837 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000872135907 1137573524 /nfs/dbraw/zinc/57/35/24/1137573524.db2.gz JEARYPDOIKYHRH-AWEZNQCLSA-N 1 2 340.452 3.977 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)c1 ZINC000124052126 1137578825 /nfs/dbraw/zinc/57/88/25/1137578825.db2.gz HKOKZDZVOBNXRM-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)c1 ZINC000124052126 1137578826 /nfs/dbraw/zinc/57/88/26/1137578826.db2.gz HKOKZDZVOBNXRM-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO COc1cc2c(cc1OC)C[NH+](Cc1c[nH]c3c1cccc3F)C2 ZINC001137059983 1137580496 /nfs/dbraw/zinc/58/04/96/1137580496.db2.gz HLOVUFUSYNCKKD-UHFFFAOYSA-N 1 2 326.371 3.840 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3ccnn3-c3ccccc3)c2C1 ZINC000873174350 1137592351 /nfs/dbraw/zinc/59/23/51/1137592351.db2.gz GDHFFJGZMPTZCG-UHFFFAOYSA-N 1 2 336.439 3.665 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000874345519 1137613152 /nfs/dbraw/zinc/61/31/52/1137613152.db2.gz AOVPPSVXNCXFAH-PXNSSMCTSA-N 1 2 341.430 3.554 20 0 EHADLO CC[C@@](C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000874443273 1137614241 /nfs/dbraw/zinc/61/42/41/1137614241.db2.gz FFHARGHYSMIRDF-GDBMZVCRSA-N 1 2 339.361 3.818 20 0 EHADLO Cc1ccc(C2(O)CC[NH+](Cc3cc(F)cc(F)c3F)CC2)cc1 ZINC001137867511 1137618983 /nfs/dbraw/zinc/61/89/83/1137618983.db2.gz ZHJZVRIVUQDOTB-UHFFFAOYSA-N 1 2 335.369 3.896 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc2ccccc2c1 ZINC001137085201 1137629007 /nfs/dbraw/zinc/62/90/07/1137629007.db2.gz UKCSYNRTEPQIBX-MRXNPFEDSA-N 1 2 347.340 3.846 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(NC(=O)C3CC3)c2)c1C ZINC000876521251 1137654602 /nfs/dbraw/zinc/65/46/02/1137654602.db2.gz UXEHIEOBKKWSQI-UHFFFAOYSA-N 1 2 325.412 3.668 20 0 EHADLO CCCn1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nn1 ZINC000876539694 1137654946 /nfs/dbraw/zinc/65/49/46/1137654946.db2.gz PGLUBTOIKMBQSH-UHFFFAOYSA-N 1 2 341.484 3.677 20 0 EHADLO O[C@H](C[C@H]1CCC[N@@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804819 1137661870 /nfs/dbraw/zinc/66/18/70/1137661870.db2.gz UOEPPJMFUIWAJK-GHMZBOCLSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@H](C[C@H]1CCC[N@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804819 1137661871 /nfs/dbraw/zinc/66/18/71/1137661871.db2.gz UOEPPJMFUIWAJK-GHMZBOCLSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804820 1137661911 /nfs/dbraw/zinc/66/19/11/1137661911.db2.gz UOEPPJMFUIWAJK-MNOVXSKESA-N 1 2 328.890 3.946 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804820 1137661912 /nfs/dbraw/zinc/66/19/12/1137661912.db2.gz UOEPPJMFUIWAJK-MNOVXSKESA-N 1 2 328.890 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cc(NC(=O)C3CC3)ccc2C)c1C ZINC000876817811 1137662497 /nfs/dbraw/zinc/66/24/97/1137662497.db2.gz GVZJNKYYNIFZQG-UHFFFAOYSA-N 1 2 339.439 3.976 20 0 EHADLO ClC1(Cl)C[C@H]1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000876850792 1137663614 /nfs/dbraw/zinc/66/36/14/1137663614.db2.gz BZSFXQMOIQSJOG-LBPRGKRZSA-N 1 2 326.227 3.568 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2coc(-c3cccs3)n2)c1C ZINC000876979104 1137666806 /nfs/dbraw/zinc/66/68/06/1137666806.db2.gz TWQBFIKNGPLBHA-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nc(Cl)cs2)[C@H]2CCCO2)cc1 ZINC000876978963 1137666892 /nfs/dbraw/zinc/66/68/92/1137666892.db2.gz RREJYBKCAPTBHX-IUODEOHRSA-N 1 2 326.824 3.946 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H](C)[S@]1=O ZINC000877516066 1137679275 /nfs/dbraw/zinc/67/92/75/1137679275.db2.gz BLFJXUGOLBBELD-NNJUXLKUSA-N 1 2 342.917 3.681 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H](C)[S@]1=O ZINC000877516066 1137679276 /nfs/dbraw/zinc/67/92/76/1137679276.db2.gz BLFJXUGOLBBELD-NNJUXLKUSA-N 1 2 342.917 3.681 20 0 EHADLO F[C@]1(c2ccccc2)CCC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000877712366 1137686713 /nfs/dbraw/zinc/68/67/13/1137686713.db2.gz KDXLREGXGNYGHR-HXUWFJFHSA-N 1 2 340.446 3.538 20 0 EHADLO F[C@]1(c2ccccc2)CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000877712366 1137686714 /nfs/dbraw/zinc/68/67/14/1137686714.db2.gz KDXLREGXGNYGHR-HXUWFJFHSA-N 1 2 340.446 3.538 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@H](O)CC(C)(C)C3)cs2)cc1 ZINC000877753733 1137687857 /nfs/dbraw/zinc/68/78/57/1137687857.db2.gz RFUHPQYEDKIOFK-MRXNPFEDSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@H](O)CC(C)(C)C3)cs2)cc1 ZINC000877753733 1137687858 /nfs/dbraw/zinc/68/78/58/1137687858.db2.gz RFUHPQYEDKIOFK-MRXNPFEDSA-N 1 2 346.496 3.623 20 0 EHADLO COc1cccc(C)c1C[NH2+]Cc1ncc(Br)s1 ZINC000877766798 1137688970 /nfs/dbraw/zinc/68/89/70/1137688970.db2.gz MDNBYBFXXJOBHD-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1OC(C)C ZINC000877823598 1137692265 /nfs/dbraw/zinc/69/22/65/1137692265.db2.gz XKOPUSRAOLJQJO-HNNXBMFYSA-N 1 2 347.377 3.636 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1OC(C)C ZINC000877823598 1137692266 /nfs/dbraw/zinc/69/22/66/1137692266.db2.gz XKOPUSRAOLJQJO-HNNXBMFYSA-N 1 2 347.377 3.636 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877896488 1137694532 /nfs/dbraw/zinc/69/45/32/1137694532.db2.gz CASMDCFCFVHEEK-ZDUSSCGKSA-N 1 2 342.468 3.745 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877896488 1137694533 /nfs/dbraw/zinc/69/45/33/1137694533.db2.gz CASMDCFCFVHEEK-ZDUSSCGKSA-N 1 2 342.468 3.745 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000878137595 1137704051 /nfs/dbraw/zinc/70/40/51/1137704051.db2.gz YVOZMDIONBAIQR-UPJWGTAASA-N 1 2 326.893 3.801 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccn(C)n3)n2)n1 ZINC000878196809 1137706778 /nfs/dbraw/zinc/70/67/78/1137706778.db2.gz AYBLGRWONVIOHR-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccn(C)n3)n2)n1 ZINC000878196809 1137706779 /nfs/dbraw/zinc/70/67/79/1137706779.db2.gz AYBLGRWONVIOHR-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO CC(C)([NH2+]Cc1c(Cl)cncc1Cl)C(=O)NCC1CCCC1 ZINC000878332558 1137711164 /nfs/dbraw/zinc/71/11/64/1137711164.db2.gz GLXYUEIOUGOEIL-UHFFFAOYSA-N 1 2 344.286 3.563 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)c(C)s1 ZINC000878350901 1137711971 /nfs/dbraw/zinc/71/19/71/1137711971.db2.gz NQCMJZODVLWKGW-LLVKDONJSA-N 1 2 329.425 3.971 20 0 EHADLO c1cc2c(cc1[C@H]([NH2+]Cc1nc3c(o1)CCCC3)C1CC1)OCCO2 ZINC000878375843 1137713435 /nfs/dbraw/zinc/71/34/35/1137713435.db2.gz RFARHIZIPUWUSP-HXUWFJFHSA-N 1 2 340.423 3.566 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878385543 1137713821 /nfs/dbraw/zinc/71/38/21/1137713821.db2.gz CDDOTYXNYYJPTC-LBPRGKRZSA-N 1 2 348.661 3.546 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878385543 1137713822 /nfs/dbraw/zinc/71/38/22/1137713822.db2.gz CDDOTYXNYYJPTC-LBPRGKRZSA-N 1 2 348.661 3.546 20 0 EHADLO CN(C)c1ccc(C2CC[NH+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000878457135 1137716788 /nfs/dbraw/zinc/71/67/88/1137716788.db2.gz UNKWTBJNTSKEOK-UHFFFAOYSA-N 1 2 348.441 3.594 20 0 EHADLO Fc1cccc(F)c1C[N@H+](C[C@H]1CCC2(CCOCC2)O1)C1CC1 ZINC000878499219 1137718131 /nfs/dbraw/zinc/71/81/31/1137718131.db2.gz RLZSITKKADVKHW-OAHLLOKOSA-N 1 2 337.410 3.657 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C1CC1 ZINC000878499219 1137718132 /nfs/dbraw/zinc/71/81/32/1137718132.db2.gz RLZSITKKADVKHW-OAHLLOKOSA-N 1 2 337.410 3.657 20 0 EHADLO CCCn1ccnc1CCC[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878511286 1137718348 /nfs/dbraw/zinc/71/83/48/1137718348.db2.gz CBNFBZWGFOJSBS-UHFFFAOYSA-N 1 2 344.503 3.861 20 0 EHADLO CCCn1ccnc1CCC[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878511286 1137718349 /nfs/dbraw/zinc/71/83/49/1137718349.db2.gz CBNFBZWGFOJSBS-UHFFFAOYSA-N 1 2 344.503 3.861 20 0 EHADLO C[N@H+](Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCc2ccccc21 ZINC000022757950 1137718615 /nfs/dbraw/zinc/71/86/15/1137718615.db2.gz BAERRNQVMBPLOK-MRXNPFEDSA-N 1 2 328.485 3.717 20 0 EHADLO C[N@@H+](Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCc2ccccc21 ZINC000022757950 1137718616 /nfs/dbraw/zinc/71/86/16/1137718616.db2.gz BAERRNQVMBPLOK-MRXNPFEDSA-N 1 2 328.485 3.717 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878552666 1137719845 /nfs/dbraw/zinc/71/98/45/1137719845.db2.gz JINVNUKWLXSNIM-LSDHHAIUSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878552666 1137719846 /nfs/dbraw/zinc/71/98/46/1137719846.db2.gz JINVNUKWLXSNIM-LSDHHAIUSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615281 1137722399 /nfs/dbraw/zinc/72/23/99/1137722399.db2.gz WQQRPKGJAWSSON-KGLIPLIRSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615281 1137722400 /nfs/dbraw/zinc/72/24/00/1137722400.db2.gz WQQRPKGJAWSSON-KGLIPLIRSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615282 1137722519 /nfs/dbraw/zinc/72/25/19/1137722519.db2.gz WQQRPKGJAWSSON-UONOGXRCSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615282 1137722520 /nfs/dbraw/zinc/72/25/20/1137722520.db2.gz WQQRPKGJAWSSON-UONOGXRCSA-N 1 2 342.226 3.555 20 0 EHADLO CS[C@@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878666311 1137724153 /nfs/dbraw/zinc/72/41/53/1137724153.db2.gz RVXYQZZYSDUENE-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO CS[C@@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878666311 1137724154 /nfs/dbraw/zinc/72/41/54/1137724154.db2.gz RVXYQZZYSDUENE-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878678745 1137724755 /nfs/dbraw/zinc/72/47/55/1137724755.db2.gz ZPSRNEABSXGOOC-VXGBXAGGSA-N 1 2 342.226 3.701 20 0 EHADLO CC(C)(CC(=O)NCCCCNc1cccc[nH+]1)CC(F)(F)F ZINC000878737059 1137726832 /nfs/dbraw/zinc/72/68/32/1137726832.db2.gz QJTLYAKIPKAPKA-UHFFFAOYSA-N 1 2 331.382 3.759 20 0 EHADLO O=C(NC[C@H]1C=CCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879033170 1137736038 /nfs/dbraw/zinc/73/60/38/1137736038.db2.gz JCBFVJZQAUKUCJ-HNNXBMFYSA-N 1 2 334.423 3.690 20 0 EHADLO O=C(Nc1ccnc(Cl)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000879069731 1137736974 /nfs/dbraw/zinc/73/69/74/1137736974.db2.gz DNHSRCVKIXLZNR-JOCQHMNTSA-N 1 2 345.834 3.675 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H](CF)C1 ZINC000879381592 1137746194 /nfs/dbraw/zinc/74/61/94/1137746194.db2.gz GTLCHOJZFNLQEP-AWEZNQCLSA-N 1 2 342.418 3.710 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880006999 1137764806 /nfs/dbraw/zinc/76/48/06/1137764806.db2.gz BDFAELXMCOOXPV-RYUDHWBXSA-N 1 2 338.502 3.638 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880006999 1137764807 /nfs/dbraw/zinc/76/48/07/1137764807.db2.gz BDFAELXMCOOXPV-RYUDHWBXSA-N 1 2 338.502 3.638 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H](C(F)(F)F)O1 ZINC000880054391 1137766800 /nfs/dbraw/zinc/76/68/00/1137766800.db2.gz FIFZEAXJULFZQU-SWLSCSKDSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H](C(F)(F)F)O1 ZINC000880054391 1137766801 /nfs/dbraw/zinc/76/68/01/1137766801.db2.gz FIFZEAXJULFZQU-SWLSCSKDSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(C(F)(F)F)nc1 ZINC000880096363 1137767961 /nfs/dbraw/zinc/76/79/61/1137767961.db2.gz IWMKCCRTXYLQSJ-SECBINFHSA-N 1 2 338.289 3.594 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000880176109 1137769962 /nfs/dbraw/zinc/76/99/62/1137769962.db2.gz MMKNVHKEUSIMBN-OAHLLOKOSA-N 1 2 349.887 3.819 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000880176109 1137769963 /nfs/dbraw/zinc/76/99/63/1137769963.db2.gz MMKNVHKEUSIMBN-OAHLLOKOSA-N 1 2 349.887 3.819 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)(c2ccccc2)C1 ZINC000880223773 1137771342 /nfs/dbraw/zinc/77/13/42/1137771342.db2.gz QIJZWPREFYDAQZ-PUZFROQSSA-N 1 2 338.382 3.621 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268732 1137772513 /nfs/dbraw/zinc/77/25/13/1137772513.db2.gz RFVULLQXXHDLDA-UHFFFAOYSA-N 1 2 339.361 3.705 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268732 1137772514 /nfs/dbraw/zinc/77/25/14/1137772514.db2.gz RFVULLQXXHDLDA-UHFFFAOYSA-N 1 2 339.361 3.705 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3nccs3)C2)sc1Br ZINC000880322409 1137775201 /nfs/dbraw/zinc/77/52/01/1137775201.db2.gz GBZNFIFEFQBGTF-VIFPVBQESA-N 1 2 344.303 3.660 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3nccs3)C2)sc1Br ZINC000880322409 1137775202 /nfs/dbraw/zinc/77/52/02/1137775202.db2.gz GBZNFIFEFQBGTF-VIFPVBQESA-N 1 2 344.303 3.660 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@@H](CO)c1ccccc1 ZINC000880460094 1137779064 /nfs/dbraw/zinc/77/90/64/1137779064.db2.gz PMKOFBXWILVASK-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@@H](CO)c1ccccc1 ZINC000880460094 1137779065 /nfs/dbraw/zinc/77/90/65/1137779065.db2.gz PMKOFBXWILVASK-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH2+]Cc2cc[nH]n2)C1(C)C ZINC000880602412 1137781964 /nfs/dbraw/zinc/78/19/64/1137781964.db2.gz DDXATNJMUOUUQS-MRXNPFEDSA-N 1 2 342.443 3.774 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cscc2Cl)c1C ZINC000880977945 1137796331 /nfs/dbraw/zinc/79/63/31/1137796331.db2.gz CMRPUDZAYKTWOZ-UHFFFAOYSA-N 1 2 325.821 3.744 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000881068736 1137799619 /nfs/dbraw/zinc/79/96/19/1137799619.db2.gz SNCFXLVKYICBOW-UHFFFAOYSA-N 1 2 340.427 3.641 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000881068736 1137799620 /nfs/dbraw/zinc/79/96/20/1137799620.db2.gz SNCFXLVKYICBOW-UHFFFAOYSA-N 1 2 340.427 3.641 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000882034436 1137819438 /nfs/dbraw/zinc/81/94/38/1137819438.db2.gz RIHQNKREZANDHD-DYESRHJHSA-N 1 2 339.483 3.992 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000882034436 1137819439 /nfs/dbraw/zinc/81/94/39/1137819439.db2.gz RIHQNKREZANDHD-DYESRHJHSA-N 1 2 339.483 3.992 20 0 EHADLO Cc1noc(C2CC2)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000129416606 1137820173 /nfs/dbraw/zinc/82/01/73/1137820173.db2.gz XXHDOWDFNGFFSP-UHFFFAOYSA-N 1 2 342.786 3.952 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000888906232 1137823497 /nfs/dbraw/zinc/82/34/97/1137823497.db2.gz ZQOHVVAJICURRE-GBESFXJTSA-N 1 2 337.467 3.678 20 0 EHADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[NH+]1CCCCCC1 ZINC000025408176 1137831419 /nfs/dbraw/zinc/83/14/19/1137831419.db2.gz WTDINYZWPQKZKW-MRVPVSSYSA-N 1 2 336.304 3.585 20 0 EHADLO C[C@]1(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000882871355 1137836267 /nfs/dbraw/zinc/83/62/67/1137836267.db2.gz FLFQSXWMAQDIMH-SJBKTWHCSA-N 1 2 345.446 3.934 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873331 1137836408 /nfs/dbraw/zinc/83/64/08/1137836408.db2.gz XMZSJCRSDKLPJD-IEBWSBKVSA-N 1 2 343.471 3.582 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)n1 ZINC000882946673 1137839315 /nfs/dbraw/zinc/83/93/15/1137839315.db2.gz RORSEXGWYGIGHI-UHFFFAOYSA-N 1 2 328.460 3.929 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C2(C)C)cc1 ZINC000883035756 1137842281 /nfs/dbraw/zinc/84/22/81/1137842281.db2.gz NZDXBTYXXOBAHU-SFHVURJKSA-N 1 2 340.471 3.559 20 0 EHADLO CO[C@H]1C[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000883273189 1137851745 /nfs/dbraw/zinc/85/17/45/1137851745.db2.gz FXTKYJXAAANIOF-XDTLVQLUSA-N 1 2 334.204 3.770 20 0 EHADLO Cc1cc(Br)cc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000883306306 1137853696 /nfs/dbraw/zinc/85/36/96/1137853696.db2.gz SGOKZXQDRPUBIN-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO CCOc1c(Cl)cc(C[NH2+]C2(c3ncccn3)CCC2)cc1OC ZINC000883308498 1137853810 /nfs/dbraw/zinc/85/38/10/1137853810.db2.gz QVPQEYPKGOOHGR-UHFFFAOYSA-N 1 2 347.846 3.706 20 0 EHADLO Cc1cc(C[NH2+]C2(c3ncccn3)CCC2)cc(C)c1OC(F)F ZINC000883308678 1137853861 /nfs/dbraw/zinc/85/38/61/1137853861.db2.gz VNITUNCXYQAKPP-UHFFFAOYSA-N 1 2 333.382 3.864 20 0 EHADLO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)CCCC2 ZINC000883346576 1137856432 /nfs/dbraw/zinc/85/64/32/1137856432.db2.gz COLLLHHKOAWUAY-PXAZEXFGSA-N 1 2 329.444 3.854 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000883464656 1137861184 /nfs/dbraw/zinc/86/11/84/1137861184.db2.gz SSMQHFKNGAMTOU-KRWDZBQOSA-N 1 2 338.386 3.911 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000282844992 1137875241 /nfs/dbraw/zinc/87/52/41/1137875241.db2.gz CXVXQWSIZFFMSE-SUMWQHHRSA-N 1 2 332.469 3.603 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000282844992 1137875242 /nfs/dbraw/zinc/87/52/42/1137875242.db2.gz CXVXQWSIZFFMSE-SUMWQHHRSA-N 1 2 332.469 3.603 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000106876931 1137884772 /nfs/dbraw/zinc/88/47/72/1137884772.db2.gz RBZPLQYZPWNNPT-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000106876931 1137884773 /nfs/dbraw/zinc/88/47/73/1137884773.db2.gz RBZPLQYZPWNNPT-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000348259150 1137886212 /nfs/dbraw/zinc/88/62/12/1137886212.db2.gz BEAUINPDVYAWID-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348260878 1137886284 /nfs/dbraw/zinc/88/62/84/1137886284.db2.gz JXBOKFALOKABDO-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000348282619 1137893570 /nfs/dbraw/zinc/89/35/70/1137893570.db2.gz TXSZWOVSHRODRS-JTQLQIEISA-N 1 2 331.363 3.806 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348286553 1137898836 /nfs/dbraw/zinc/89/88/36/1137898836.db2.gz SBTBJOMWWNLWFM-HOSYDEDBSA-N 1 2 325.334 3.669 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348286553 1137898837 /nfs/dbraw/zinc/89/88/37/1137898837.db2.gz SBTBJOMWWNLWFM-HOSYDEDBSA-N 1 2 325.334 3.669 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)ccc1OCC(C)C ZINC000112525109 1137908281 /nfs/dbraw/zinc/90/82/81/1137908281.db2.gz ZJRODGPTTNPYJN-STQMWFEESA-N 1 2 333.432 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)c(C)[nH+]1 ZINC000331703709 1137917611 /nfs/dbraw/zinc/91/76/11/1137917611.db2.gz WNPLVVPSPANZPT-QGZVFWFLSA-N 1 2 338.455 3.655 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705336 1137918533 /nfs/dbraw/zinc/91/85/33/1137918533.db2.gz NIUDANZAWSHDIX-SJORKVTESA-N 1 2 329.488 3.503 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114805664 1137919088 /nfs/dbraw/zinc/91/90/88/1137919088.db2.gz JACQFGFFPLELIA-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000115455781 1137921999 /nfs/dbraw/zinc/92/19/99/1137921999.db2.gz CMGUFZPBAOQRIP-UTKZUKDTSA-N 1 2 345.446 3.950 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C)cc1 ZINC000332166260 1137934256 /nfs/dbraw/zinc/93/42/56/1137934256.db2.gz KUKQASMWUUMENE-DLBZAZTESA-N 1 2 326.444 3.758 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000119333545 1137940654 /nfs/dbraw/zinc/94/06/54/1137940654.db2.gz ZFWQCATVRJQSIK-HXUWFJFHSA-N 1 2 346.430 3.709 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000119333545 1137940655 /nfs/dbraw/zinc/94/06/55/1137940655.db2.gz ZFWQCATVRJQSIK-HXUWFJFHSA-N 1 2 346.430 3.709 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332417269 1137943394 /nfs/dbraw/zinc/94/33/94/1137943394.db2.gz MPRNWFWXJCUTNH-MRXNPFEDSA-N 1 2 326.444 3.946 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000332423119 1137943450 /nfs/dbraw/zinc/94/34/50/1137943450.db2.gz RZYORSNWOXZMJP-ZDUSSCGKSA-N 1 2 332.423 3.784 20 0 EHADLO CCn1nccc1C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000119933562 1137945344 /nfs/dbraw/zinc/94/53/44/1137945344.db2.gz FYAXRXTYQJISAE-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO CCn1nccc1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000119933562 1137945345 /nfs/dbraw/zinc/94/53/45/1137945345.db2.gz FYAXRXTYQJISAE-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc2c(c1)NC(=O)CO2 ZINC000348321012 1137950500 /nfs/dbraw/zinc/95/05/00/1137950500.db2.gz RAJDFDNNPMSXDU-CYBMUJFWSA-N 1 2 349.390 3.523 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)CCS1 ZINC000171701581 1137953047 /nfs/dbraw/zinc/95/30/47/1137953047.db2.gz WROQWEZFZCRDBN-MRXNPFEDSA-N 1 2 340.492 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)CCS1 ZINC000171701581 1137953048 /nfs/dbraw/zinc/95/30/48/1137953048.db2.gz WROQWEZFZCRDBN-MRXNPFEDSA-N 1 2 340.492 3.653 20 0 EHADLO CC1(C)CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333053908 1137954067 /nfs/dbraw/zinc/95/40/67/1137954067.db2.gz QZBVEYYNEUKULZ-INIZCTEOSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1csc(C2(NC(=O)Nc3c(C)cc(C)[nH+]c3C)CCC2)n1 ZINC000333161544 1137956938 /nfs/dbraw/zinc/95/69/38/1137956938.db2.gz HLDOBCOTZXHUIW-UHFFFAOYSA-N 1 2 330.457 3.973 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccccc1Oc1ccccn1 ZINC000885667615 1138017393 /nfs/dbraw/zinc/01/73/93/1138017393.db2.gz LADLZABUUBSVJM-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1C ZINC000348354438 1138019055 /nfs/dbraw/zinc/01/90/55/1138019055.db2.gz JSEFBYJLQAZMTH-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1C ZINC000348354438 1138019056 /nfs/dbraw/zinc/01/90/56/1138019056.db2.gz JSEFBYJLQAZMTH-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c(F)c1OC ZINC000886019616 1138032771 /nfs/dbraw/zinc/03/27/71/1138032771.db2.gz XTRJJZSREHWOJI-CYBMUJFWSA-N 1 2 337.778 3.720 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2scnc2C)c1 ZINC000066563362 1138076146 /nfs/dbraw/zinc/07/61/46/1138076146.db2.gz XVMZQERDFOJQHQ-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2scnc2C)c1 ZINC000066563362 1138076148 /nfs/dbraw/zinc/07/61/48/1138076148.db2.gz XVMZQERDFOJQHQ-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3cncc4ccccc43)CC2)sc1C ZINC000282961098 1138085933 /nfs/dbraw/zinc/08/59/33/1138085933.db2.gz DONBSJZLZUNDTQ-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C)o1 ZINC000072665937 1138106842 /nfs/dbraw/zinc/10/68/42/1138106842.db2.gz PNYCELBPTRJDFU-SFHVURJKSA-N 1 2 342.439 3.553 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C)o1 ZINC000072665937 1138106843 /nfs/dbraw/zinc/10/68/43/1138106843.db2.gz PNYCELBPTRJDFU-SFHVURJKSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714245 1138123746 /nfs/dbraw/zinc/12/37/46/1138123746.db2.gz GFXHMPDAYHMBBF-GOSISDBHSA-N 1 2 337.398 3.885 20 0 EHADLO C[C@@H](NC(=O)N1CCn2cccc2[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876317 1138124751 /nfs/dbraw/zinc/12/47/51/1138124751.db2.gz XXPHGKTXTFNTOH-HZPDHXFCSA-N 1 2 349.438 3.521 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000886755310 1138132639 /nfs/dbraw/zinc/13/26/39/1138132639.db2.gz FAYILHJRBPIPST-KRWDZBQOSA-N 1 2 334.464 3.828 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079103667 1138154783 /nfs/dbraw/zinc/15/47/83/1138154783.db2.gz PUWZKGXRQRWQJG-UHFFFAOYSA-N 1 2 332.492 3.650 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(C)cs2)cc1OC(F)F ZINC000081649011 1138170982 /nfs/dbraw/zinc/17/09/82/1138170982.db2.gz ILNXGMVSJRYNDD-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(C)cs2)cc1OC(F)F ZINC000081649011 1138170983 /nfs/dbraw/zinc/17/09/83/1138170983.db2.gz ILNXGMVSJRYNDD-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1nnnn1C1CCCCC1 ZINC000886922918 1138172925 /nfs/dbraw/zinc/17/29/25/1138172925.db2.gz FHCVBNHDJIJJQQ-PXAZEXFGSA-N 1 2 329.423 3.656 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084069501 1138177370 /nfs/dbraw/zinc/17/73/70/1138177370.db2.gz MBSCDRWEGUOVCB-CQSZACIVSA-N 1 2 329.469 3.839 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084069501 1138177371 /nfs/dbraw/zinc/17/73/71/1138177371.db2.gz MBSCDRWEGUOVCB-CQSZACIVSA-N 1 2 329.469 3.839 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(SC)cc2)cc1F ZINC000139778019 1138192759 /nfs/dbraw/zinc/19/27/59/1138192759.db2.gz HZOZBHUSQPNUJG-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(SC)cc2)cc1F ZINC000139778019 1138192761 /nfs/dbraw/zinc/19/27/61/1138192761.db2.gz HZOZBHUSQPNUJG-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1ccc(F)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000088408285 1138193736 /nfs/dbraw/zinc/19/37/36/1138193736.db2.gz FLHBZRRRTKPJBC-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703541 1138220736 /nfs/dbraw/zinc/22/07/36/1138220736.db2.gz XGUCRNZTYPDOFF-CABCVRRESA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703541 1138220739 /nfs/dbraw/zinc/22/07/39/1138220739.db2.gz XGUCRNZTYPDOFF-CABCVRRESA-N 1 2 345.874 3.947 20 0 EHADLO C[N@H+](CCCF)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000887140277 1138221195 /nfs/dbraw/zinc/22/11/95/1138221195.db2.gz XXSKXWTXSDQUDR-UHFFFAOYSA-N 1 2 331.416 3.855 20 0 EHADLO C[N@@H+](CCCF)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000887140277 1138221197 /nfs/dbraw/zinc/22/11/97/1138221197.db2.gz XXSKXWTXSDQUDR-UHFFFAOYSA-N 1 2 331.416 3.855 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](C)c2nccs2)c1OC(F)F ZINC000091735845 1138221569 /nfs/dbraw/zinc/22/15/69/1138221569.db2.gz XHOYVHFOHGAKRF-JTQLQIEISA-N 1 2 328.384 3.994 20 0 EHADLO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092594131 1138229839 /nfs/dbraw/zinc/22/98/39/1138229839.db2.gz HMRHBHDKGMDXQO-INIZCTEOSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092594131 1138229840 /nfs/dbraw/zinc/22/98/40/1138229840.db2.gz HMRHBHDKGMDXQO-INIZCTEOSA-N 1 2 343.427 3.851 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093226622 1138235000 /nfs/dbraw/zinc/23/50/00/1138235000.db2.gz ULEKQHKCJCYYAA-KSSFIOAISA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093226622 1138235002 /nfs/dbraw/zinc/23/50/02/1138235002.db2.gz ULEKQHKCJCYYAA-KSSFIOAISA-N 1 2 345.874 3.995 20 0 EHADLO CCOCC[N@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000093312626 1138235573 /nfs/dbraw/zinc/23/55/73/1138235573.db2.gz BIZJUXLNZFHEPK-SFHVURJKSA-N 1 2 337.423 3.794 20 0 EHADLO CCOCC[N@@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000093312626 1138235576 /nfs/dbraw/zinc/23/55/76/1138235576.db2.gz BIZJUXLNZFHEPK-SFHVURJKSA-N 1 2 337.423 3.794 20 0 EHADLO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(C)ccc1OC ZINC000093397096 1138236968 /nfs/dbraw/zinc/23/69/68/1138236968.db2.gz XNPKFCDBMLBCFS-SFHVURJKSA-N 1 2 336.439 3.825 20 0 EHADLO c1cc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cs1 ZINC000093768266 1138240831 /nfs/dbraw/zinc/24/08/31/1138240831.db2.gz CUGVSCJWDKVAQK-QGZVFWFLSA-N 1 2 325.437 3.712 20 0 EHADLO c1cc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cs1 ZINC000093768266 1138240833 /nfs/dbraw/zinc/24/08/33/1138240833.db2.gz CUGVSCJWDKVAQK-QGZVFWFLSA-N 1 2 325.437 3.712 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093821513 1138241723 /nfs/dbraw/zinc/24/17/23/1138241723.db2.gz RIZYULOEQLZBIT-CYBMUJFWSA-N 1 2 348.516 3.798 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093821513 1138241725 /nfs/dbraw/zinc/24/17/25/1138241725.db2.gz RIZYULOEQLZBIT-CYBMUJFWSA-N 1 2 348.516 3.798 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000121891239 1138251682 /nfs/dbraw/zinc/25/16/82/1138251682.db2.gz YLQKFTBICSXWGI-UHFFFAOYSA-N 1 2 342.414 3.586 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000121891239 1138251685 /nfs/dbraw/zinc/25/16/85/1138251685.db2.gz YLQKFTBICSXWGI-UHFFFAOYSA-N 1 2 342.414 3.586 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001137242006 1138256046 /nfs/dbraw/zinc/25/60/46/1138256046.db2.gz LAUKJASAKSPHIA-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001137242006 1138256048 /nfs/dbraw/zinc/25/60/48/1138256048.db2.gz LAUKJASAKSPHIA-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1 ZINC000122365252 1138257292 /nfs/dbraw/zinc/25/72/92/1138257292.db2.gz KEIKLCMFKLRKIL-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1 ZINC000122365252 1138257293 /nfs/dbraw/zinc/25/72/93/1138257293.db2.gz KEIKLCMFKLRKIL-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000123311461 1138269114 /nfs/dbraw/zinc/26/91/14/1138269114.db2.gz FLJBBRQMYQVLLX-PMUMKWKESA-N 1 2 347.409 3.765 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000123746824 1138274068 /nfs/dbraw/zinc/27/40/68/1138274068.db2.gz VVLCIPKIECIYDW-ZIAGYGMSSA-N 1 2 338.411 3.942 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000124388874 1138285790 /nfs/dbraw/zinc/28/57/90/1138285790.db2.gz WIGDOBCBBOCKOD-OXQOHEQNSA-N 1 2 333.435 3.689 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124468916 1138287468 /nfs/dbraw/zinc/28/74/68/1138287468.db2.gz KVGDGVNWVURCSQ-IAQYHMDHSA-N 1 2 338.238 3.913 20 0 EHADLO CC1(C)CCc2sc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)nc21 ZINC000333512464 1138298895 /nfs/dbraw/zinc/29/88/95/1138298895.db2.gz JINMEZYKZCGUKE-UHFFFAOYSA-N 1 2 345.472 3.502 20 0 EHADLO CC1(C)CCc2sc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)nc21 ZINC000333512464 1138298897 /nfs/dbraw/zinc/29/88/97/1138298897.db2.gz JINMEZYKZCGUKE-UHFFFAOYSA-N 1 2 345.472 3.502 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000125785528 1138316093 /nfs/dbraw/zinc/31/60/93/1138316093.db2.gz MTINGJMPVFPHCQ-WMLDXEAASA-N 1 2 329.469 3.637 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1OC(F)F ZINC000126101159 1138324252 /nfs/dbraw/zinc/32/42/52/1138324252.db2.gz NIGZHYMPHFXWNX-GDBMZVCRSA-N 1 2 334.366 3.555 20 0 EHADLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000333732839 1138326443 /nfs/dbraw/zinc/32/64/43/1138326443.db2.gz PYEUNUNWJBBSFF-IAGOWNOFSA-N 1 2 341.455 3.960 20 0 EHADLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000333732839 1138326445 /nfs/dbraw/zinc/32/64/45/1138326445.db2.gz PYEUNUNWJBBSFF-IAGOWNOFSA-N 1 2 341.455 3.960 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126603414 1138333936 /nfs/dbraw/zinc/33/39/36/1138333936.db2.gz HQHRGPFJYRFKNP-FUHWJXTLSA-N 1 2 325.456 3.579 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127114004 1138347244 /nfs/dbraw/zinc/34/72/44/1138347244.db2.gz WJJPBWIAPBUHQH-SWLSCSKDSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127129498 1138347708 /nfs/dbraw/zinc/34/77/08/1138347708.db2.gz RTJPLOFAKVOEKM-BLLLJJGKSA-N 1 2 332.835 3.960 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127552396 1138362206 /nfs/dbraw/zinc/36/22/06/1138362206.db2.gz UOUMGQOAKHCKJV-RDJZCZTQSA-N 1 2 342.443 3.787 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334046630 1138365001 /nfs/dbraw/zinc/36/50/01/1138365001.db2.gz QFZONNRZOHWECG-CQSZACIVSA-N 1 2 344.484 3.934 20 0 EHADLO CCCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000128184847 1138382313 /nfs/dbraw/zinc/38/23/13/1138382313.db2.gz FGNJWRXCDGTFPB-QAPCUYQASA-N 1 2 342.443 3.787 20 0 EHADLO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263938776 1138395407 /nfs/dbraw/zinc/39/54/07/1138395407.db2.gz IAOJXDUMKKWOOT-CYBMUJFWSA-N 1 2 339.370 3.829 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)o1 ZINC000336882970 1138420415 /nfs/dbraw/zinc/42/04/15/1138420415.db2.gz XQCYXPDIWGRRDR-INIZCTEOSA-N 1 2 336.476 3.522 20 0 EHADLO CCN1CC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C[C@@H]1c1ncc[nH]1 ZINC000348438010 1138423994 /nfs/dbraw/zinc/42/39/94/1138423994.db2.gz DWUJOOJFIZPNSE-IUODEOHRSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C[C@@H]1c1ncc[nH]1 ZINC000348438010 1138423997 /nfs/dbraw/zinc/42/39/97/1138423997.db2.gz DWUJOOJFIZPNSE-IUODEOHRSA-N 1 2 336.842 3.642 20 0 EHADLO CSc1ccccc1[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000336935523 1138430830 /nfs/dbraw/zinc/43/08/30/1138430830.db2.gz TYEUJIPFQWBKLK-ZDUSSCGKSA-N 1 2 346.525 3.925 20 0 EHADLO CSc1ccccc1[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000336935523 1138430833 /nfs/dbraw/zinc/43/08/33/1138430833.db2.gz TYEUJIPFQWBKLK-ZDUSSCGKSA-N 1 2 346.525 3.925 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000264172610 1138433977 /nfs/dbraw/zinc/43/39/77/1138433977.db2.gz ZLUJKOGAOPPDEE-MRXNPFEDSA-N 1 2 328.460 3.530 20 0 EHADLO O=C(CCSc1ccc(F)cc1)NCCCCNc1cccc[nH+]1 ZINC000264180627 1138435652 /nfs/dbraw/zinc/43/56/52/1138435652.db2.gz NZHBTJLBEHYZOD-UHFFFAOYSA-N 1 2 347.459 3.711 20 0 EHADLO CCCN(CC(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264186428 1138437265 /nfs/dbraw/zinc/43/72/65/1138437265.db2.gz AUVBRZZTMZDRAN-KRWDZBQOSA-N 1 2 347.503 3.980 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCC[C@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000264197692 1138440507 /nfs/dbraw/zinc/44/05/07/1138440507.db2.gz DLOAPPPCFDQTIP-DLBZAZTESA-N 1 2 345.487 3.734 20 0 EHADLO CCCN(CC1CC1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264255519 1138455749 /nfs/dbraw/zinc/45/57/49/1138455749.db2.gz QGIVLUDGFBLELW-MRXNPFEDSA-N 1 2 345.487 3.734 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264267936 1138459319 /nfs/dbraw/zinc/45/93/19/1138459319.db2.gz UDJHSEOQIUUUDD-JYJNAYRXSA-N 1 2 333.476 3.636 20 0 EHADLO CN(CCCc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337126359 1138472829 /nfs/dbraw/zinc/47/28/29/1138472829.db2.gz FXANPVOZWRFENR-UHFFFAOYSA-N 1 2 333.435 3.636 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3cc(C)ccc3n2)o1 ZINC000130829709 1138479101 /nfs/dbraw/zinc/47/91/01/1138479101.db2.gz IRHMIFUILYBOJA-KRWDZBQOSA-N 1 2 325.412 3.719 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cn3cc(C)ccc3n2)o1 ZINC000130829709 1138479102 /nfs/dbraw/zinc/47/91/02/1138479102.db2.gz IRHMIFUILYBOJA-KRWDZBQOSA-N 1 2 325.412 3.719 20 0 EHADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C12CCC(CC1)C2 ZINC000337147821 1138479568 /nfs/dbraw/zinc/47/95/68/1138479568.db2.gz IZMUFTNNLOVRJH-NGEICVOHSA-N 1 2 327.472 3.506 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000264337315 1138480964 /nfs/dbraw/zinc/48/09/64/1138480964.db2.gz AAVNSUBQERCNMR-VXGBXAGGSA-N 1 2 340.254 3.573 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000264390467 1138498700 /nfs/dbraw/zinc/49/87/00/1138498700.db2.gz DZOMIBRLAIRJNJ-ZDUSSCGKSA-N 1 2 347.484 3.790 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000264390467 1138498702 /nfs/dbraw/zinc/49/87/02/1138498702.db2.gz DZOMIBRLAIRJNJ-ZDUSSCGKSA-N 1 2 347.484 3.790 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337323935 1138533276 /nfs/dbraw/zinc/53/32/76/1138533276.db2.gz MPDFIEWOIWWHQW-HNNXBMFYSA-N 1 2 339.420 3.982 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264535306 1138550478 /nfs/dbraw/zinc/55/04/78/1138550478.db2.gz OVFZFAPRVFPSDD-CVEARBPZSA-N 1 2 326.444 3.677 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000337422606 1138564350 /nfs/dbraw/zinc/56/43/50/1138564350.db2.gz BIHRXPABUNGDHH-KRWDZBQOSA-N 1 2 340.471 3.970 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2ccsc2Br)o1 ZINC000283003641 1138576456 /nfs/dbraw/zinc/57/64/56/1138576456.db2.gz KUZFDUKBGNEPGA-UHFFFAOYSA-N 1 2 344.230 3.570 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283005724 1138582419 /nfs/dbraw/zinc/58/24/19/1138582419.db2.gz GUOIREKXZUFFJW-CVEARBPZSA-N 1 2 336.435 3.911 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283005724 1138582422 /nfs/dbraw/zinc/58/24/22/1138582422.db2.gz GUOIREKXZUFFJW-CVEARBPZSA-N 1 2 336.435 3.911 20 0 EHADLO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(F)cc1Cl ZINC000337520853 1138593377 /nfs/dbraw/zinc/59/33/77/1138593377.db2.gz XRSLPFXZASVDCX-OAQYLSRUSA-N 1 2 325.836 3.719 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(F)cc1Cl ZINC000337520853 1138593378 /nfs/dbraw/zinc/59/33/78/1138593378.db2.gz XRSLPFXZASVDCX-OAQYLSRUSA-N 1 2 325.836 3.719 20 0 EHADLO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(C)cc1 ZINC000337552662 1138603525 /nfs/dbraw/zinc/60/35/25/1138603525.db2.gz QWNXCAHNKWDPBA-KRWDZBQOSA-N 1 2 326.444 3.643 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC000337573397 1138609794 /nfs/dbraw/zinc/60/97/94/1138609794.db2.gz UQEWAYRHHQJNAG-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO O=C(Nc1ccccc1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264726620 1138618314 /nfs/dbraw/zinc/61/83/14/1138618314.db2.gz MIIAAHNAFCFNAG-NSHDSACASA-N 1 2 349.232 3.584 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)Nc1[nH+]cnc2c1cnn2C ZINC000337643777 1138631218 /nfs/dbraw/zinc/63/12/18/1138631218.db2.gz GNUSMLXHBVUGNK-SECBINFHSA-N 1 2 336.226 3.713 20 0 EHADLO Cc1nc2ccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000264782557 1138638034 /nfs/dbraw/zinc/63/80/34/1138638034.db2.gz ZAWDPQPKJGRIOF-LBPRGKRZSA-N 1 2 341.440 3.739 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000264819984 1138648827 /nfs/dbraw/zinc/64/88/27/1138648827.db2.gz CREUYDHRLQLENJ-WMZOPIPTSA-N 1 2 338.455 3.758 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1coc2ccccc12 ZINC000265151438 1138746752 /nfs/dbraw/zinc/74/67/52/1138746752.db2.gz QLFBMTPVPLPZHA-UHFFFAOYSA-N 1 2 338.411 3.519 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCOC3(CCOCC3)C2)nc2ccccc12 ZINC000135593982 1138761111 /nfs/dbraw/zinc/76/11/11/1138761111.db2.gz PEJYHUQLKHFXPO-UHFFFAOYSA-N 1 2 346.858 3.578 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCOC3(CCOCC3)C2)nc2ccccc12 ZINC000135593982 1138761114 /nfs/dbraw/zinc/76/11/14/1138761114.db2.gz PEJYHUQLKHFXPO-UHFFFAOYSA-N 1 2 346.858 3.578 20 0 EHADLO O=S(=O)(CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000338209282 1138788347 /nfs/dbraw/zinc/78/83/47/1138788347.db2.gz UOSCHCBGKJIDGI-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000338209282 1138788352 /nfs/dbraw/zinc/78/83/52/1138788352.db2.gz UOSCHCBGKJIDGI-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000338286933 1138817668 /nfs/dbraw/zinc/81/76/68/1138817668.db2.gz ZDXGTOKHSJSBDB-UHFFFAOYSA-N 1 2 338.245 3.612 20 0 EHADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000338286933 1138817669 /nfs/dbraw/zinc/81/76/69/1138817669.db2.gz ZDXGTOKHSJSBDB-UHFFFAOYSA-N 1 2 338.245 3.612 20 0 EHADLO Cc1ccc(NC(=O)CNc2cc(C)[nH+]c(C3CC3)n2)c(Cl)c1 ZINC000265344156 1138821527 /nfs/dbraw/zinc/82/15/27/1138821527.db2.gz JFUOBNYNOQWNAN-UHFFFAOYSA-N 1 2 330.819 3.675 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000265396303 1138853871 /nfs/dbraw/zinc/85/38/71/1138853871.db2.gz UOZJUUZITDPTRX-QGZVFWFLSA-N 1 2 340.471 3.653 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccncc1F ZINC000338361021 1138855934 /nfs/dbraw/zinc/85/59/34/1138855934.db2.gz YSWDQHIFSPPOIR-VIFPVBQESA-N 1 2 349.207 3.710 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCc2ccccc2F)o1 ZINC000137574056 1138862723 /nfs/dbraw/zinc/86/27/23/1138862723.db2.gz GUPYNPFUAMBLBS-IBGZPJMESA-N 1 2 337.398 3.859 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCc2ccccc2F)o1 ZINC000137574056 1138862730 /nfs/dbraw/zinc/86/27/30/1138862730.db2.gz GUPYNPFUAMBLBS-IBGZPJMESA-N 1 2 337.398 3.859 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+](C)Cc2ccccc2Cl)c1 ZINC001137247567 1138972140 /nfs/dbraw/zinc/97/21/40/1138972140.db2.gz KFUBRBPBVSETMS-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+](C)Cc2ccccc2Cl)c1 ZINC001137247567 1138972142 /nfs/dbraw/zinc/97/21/42/1138972142.db2.gz KFUBRBPBVSETMS-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000152630387 1139101448 /nfs/dbraw/zinc/10/14/48/1139101448.db2.gz JEVXSRLMHIDNLO-WMLDXEAASA-N 1 2 340.427 3.591 20 0 EHADLO C[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000153634947 1139145608 /nfs/dbraw/zinc/14/56/08/1139145608.db2.gz CRNSRWIVJYKJFA-LLVKDONJSA-N 1 2 343.374 3.561 20 0 EHADLO Cc1c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)oc2c1c(C)ccc2C ZINC000153695004 1139147376 /nfs/dbraw/zinc/14/73/76/1139147376.db2.gz CKYDMQRDCZXEGM-GFCCVEGCSA-N 1 2 325.412 3.621 20 0 EHADLO C[C@]1(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC=CCC1 ZINC000889544313 1139229403 /nfs/dbraw/zinc/22/94/03/1139229403.db2.gz LFQFCRNQPLAVDL-BXWFABGCSA-N 1 2 328.460 3.603 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC2(CCCC2)C1 ZINC000889556621 1139232629 /nfs/dbraw/zinc/23/26/29/1139232629.db2.gz DZYLWWIASAPVJV-QAQDUYKDSA-N 1 2 342.487 3.780 20 0 EHADLO CN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(C1CC1)C1CC1 ZINC000889560041 1139234462 /nfs/dbraw/zinc/23/44/62/1139234462.db2.gz QQXCXWCARYRGLO-QAQDUYKDSA-N 1 2 342.487 3.635 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1csc2ccccc21 ZINC000826655652 1139252993 /nfs/dbraw/zinc/25/29/93/1139252993.db2.gz DHVDLBZDHICLND-IACUBPJLSA-N 1 2 325.437 3.616 20 0 EHADLO CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000890250367 1139330486 /nfs/dbraw/zinc/33/04/86/1139330486.db2.gz GDAMCGLJYMAEGZ-MSOLQXFVSA-N 1 2 340.471 3.845 20 0 EHADLO C[C@H](C1CC1)N(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259566 1139333794 /nfs/dbraw/zinc/33/37/94/1139333794.db2.gz ZOZNVMNNOATXJP-BEFAXECRSA-N 1 2 338.455 3.597 20 0 EHADLO CC(C)CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000890263256 1139334568 /nfs/dbraw/zinc/33/45/68/1139334568.db2.gz YIFLQGOIRGVWOR-GOSISDBHSA-N 1 2 328.460 3.700 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(c2ccccc2)CC1 ZINC000890269092 1139335768 /nfs/dbraw/zinc/33/57/68/1139335768.db2.gz VZQUPPAOAGUTCE-CQSZACIVSA-N 1 2 343.858 3.942 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)cnc1Cl ZINC000826696773 1139364216 /nfs/dbraw/zinc/36/42/16/1139364216.db2.gz QASIGFOCXLDHOJ-KRWDZBQOSA-N 1 2 341.842 3.529 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)cnc1Cl ZINC000826696773 1139364224 /nfs/dbraw/zinc/36/42/24/1139364224.db2.gz QASIGFOCXLDHOJ-KRWDZBQOSA-N 1 2 341.842 3.529 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000174113430 1139400475 /nfs/dbraw/zinc/40/04/75/1139400475.db2.gz YITQRZBWARVRQA-OAHLLOKOSA-N 1 2 329.444 3.972 20 0 EHADLO CCCCO[C@@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)C1(C)C ZINC000777289777 1139464511 /nfs/dbraw/zinc/46/45/11/1139464511.db2.gz JJYQREOTRMDFAY-JKSUJKDBSA-N 1 2 338.517 3.703 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(C)(C)C2)C[C@H](C)O1 ZINC000175210718 1139472981 /nfs/dbraw/zinc/47/29/81/1139472981.db2.gz CCDTZESPLNAQTN-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(C)(C)C2)C[C@H](C)O1 ZINC000175210718 1139472984 /nfs/dbraw/zinc/47/29/84/1139472984.db2.gz CCDTZESPLNAQTN-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000175234414 1139474793 /nfs/dbraw/zinc/47/47/93/1139474793.db2.gz KYTZZEIHOFPZOH-NWDGAFQWSA-N 1 2 335.498 3.851 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000175259990 1139476754 /nfs/dbraw/zinc/47/67/54/1139476754.db2.gz JFVNOSAIUROTJO-CVEARBPZSA-N 1 2 342.487 3.807 20 0 EHADLO C[N@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000350831098 1139479512 /nfs/dbraw/zinc/47/95/12/1139479512.db2.gz CMIMIGFJHXLECQ-HNNXBMFYSA-N 1 2 339.222 3.824 20 0 EHADLO C[N@@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000350831098 1139479513 /nfs/dbraw/zinc/47/95/13/1139479513.db2.gz CMIMIGFJHXLECQ-HNNXBMFYSA-N 1 2 339.222 3.824 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1C ZINC000177624284 1139630000 /nfs/dbraw/zinc/63/00/00/1139630000.db2.gz FGFUGQHIDASGRE-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1C ZINC000177624284 1139630002 /nfs/dbraw/zinc/63/00/02/1139630002.db2.gz FGFUGQHIDASGRE-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000177660119 1139632192 /nfs/dbraw/zinc/63/21/92/1139632192.db2.gz HVVJQESEKNWKSS-SUMWQHHRSA-N 1 2 327.428 3.819 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000177660119 1139632195 /nfs/dbraw/zinc/63/21/95/1139632195.db2.gz HVVJQESEKNWKSS-SUMWQHHRSA-N 1 2 327.428 3.819 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177759674 1139638459 /nfs/dbraw/zinc/63/84/59/1139638459.db2.gz GUMDJAOUPQARTD-INIZCTEOSA-N 1 2 348.450 3.845 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177763623 1139639807 /nfs/dbraw/zinc/63/98/07/1139639807.db2.gz QVJVLRCHRRJFMI-GOSISDBHSA-N 1 2 334.423 3.689 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1F ZINC000178129935 1139673048 /nfs/dbraw/zinc/67/30/48/1139673048.db2.gz VEFSFDNWZSRYLV-QZTJIDSGSA-N 1 2 332.394 3.835 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000179409407 1139755218 /nfs/dbraw/zinc/75/52/18/1139755218.db2.gz PQXRTXPFCXBNCH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000179409407 1139755227 /nfs/dbraw/zinc/75/52/27/1139755227.db2.gz PQXRTXPFCXBNCH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO CC(C)n1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cn1 ZINC000179407033 1139755559 /nfs/dbraw/zinc/75/55/59/1139755559.db2.gz TVZKLYWGLCSHOP-UHFFFAOYSA-N 1 2 325.412 3.965 20 0 EHADLO CC(C)n1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cn1 ZINC000179407033 1139755565 /nfs/dbraw/zinc/75/55/65/1139755565.db2.gz TVZKLYWGLCSHOP-UHFFFAOYSA-N 1 2 325.412 3.965 20 0 EHADLO Cc1scc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C ZINC000179771639 1139781574 /nfs/dbraw/zinc/78/15/74/1139781574.db2.gz YYZPWQKZDIRODB-UHFFFAOYSA-N 1 2 329.469 3.680 20 0 EHADLO CC(C)N1CC[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181032154 1139880242 /nfs/dbraw/zinc/88/02/42/1139880242.db2.gz WTLNIJNCPLUDSS-SJORKVTESA-N 1 2 336.842 3.516 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)c2ccccc12 ZINC000181145426 1139888958 /nfs/dbraw/zinc/88/89/58/1139888958.db2.gz SVGCFJIGQDMOOB-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)c2ccccc12 ZINC000181145426 1139888966 /nfs/dbraw/zinc/88/89/66/1139888966.db2.gz SVGCFJIGQDMOOB-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1nccn1C(C)C)c1ccccc1 ZINC000181831287 1139935440 /nfs/dbraw/zinc/93/54/40/1139935440.db2.gz IEGZYXCCMZBWFN-KRWDZBQOSA-N 1 2 329.444 3.637 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000182492021 1139976374 /nfs/dbraw/zinc/97/63/74/1139976374.db2.gz UJDYYOKQAGCNBW-CYBMUJFWSA-N 1 2 327.428 3.893 20 0 EHADLO Cc1cc2ncc([C@H](C)Nc3ccc4c(c3)CCC[N@H+]4C)c(C)n2n1 ZINC000182954912 1140003172 /nfs/dbraw/zinc/00/31/72/1140003172.db2.gz MGONHZVFNXVKLK-AWEZNQCLSA-N 1 2 335.455 3.902 20 0 EHADLO Cc1cc2ncc([C@H](C)Nc3ccc4c(c3)CCC[N@@H+]4C)c(C)n2n1 ZINC000182954912 1140003177 /nfs/dbraw/zinc/00/31/77/1140003177.db2.gz MGONHZVFNXVKLK-AWEZNQCLSA-N 1 2 335.455 3.902 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000183343750 1140031686 /nfs/dbraw/zinc/03/16/86/1140031686.db2.gz NXPTXKNFHGVDJA-QWRGUYRKSA-N 1 2 345.834 3.844 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184147178 1140082622 /nfs/dbraw/zinc/08/26/22/1140082622.db2.gz DTSLKMMCJKRFDK-SFHVURJKSA-N 1 2 344.455 3.838 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c1C ZINC000184180939 1140085860 /nfs/dbraw/zinc/08/58/60/1140085860.db2.gz MUHPNFBJTINVKG-GOSISDBHSA-N 1 2 344.455 3.838 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000184292184 1140093116 /nfs/dbraw/zinc/09/31/16/1140093116.db2.gz LSBHKFZCQOOTPT-PKOBYXMFSA-N 1 2 347.422 3.637 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000184386595 1140099770 /nfs/dbraw/zinc/09/97/70/1140099770.db2.gz XKQFCOCGDLBKEQ-LBPRGKRZSA-N 1 2 336.407 3.545 20 0 EHADLO CCc1ccc2c(C[NH2+][C@H](COC)c3ccc(C)o3)cc(=O)oc2c1 ZINC000184682299 1140114802 /nfs/dbraw/zinc/11/48/02/1140114802.db2.gz AHZJZHSHLBIRAH-QGZVFWFLSA-N 1 2 341.407 3.734 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cs1 ZINC000184734082 1140118303 /nfs/dbraw/zinc/11/83/03/1140118303.db2.gz SMUINLYIMGMMKO-HUUCEWRRSA-N 1 2 345.512 3.850 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)cs1 ZINC000184733773 1140118362 /nfs/dbraw/zinc/11/83/62/1140118362.db2.gz QUSHFXBBORYYOA-AWEZNQCLSA-N 1 2 331.485 3.798 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC1CCCCC1 ZINC000184854933 1140122567 /nfs/dbraw/zinc/12/25/67/1140122567.db2.gz QJSPKZYWRMKENL-GJZGRUSLSA-N 1 2 341.455 3.830 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000184858370 1140123220 /nfs/dbraw/zinc/12/32/20/1140123220.db2.gz PRLJHYYUVNZYOB-AWEZNQCLSA-N 1 2 329.444 3.545 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ncc(-c2ccccc2)o1 ZINC000184899106 1140124874 /nfs/dbraw/zinc/12/48/74/1140124874.db2.gz YUEUDFGCGWHUKA-ISXOHVOVSA-N 1 2 341.455 3.687 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(Cc2ccc(C)cc2)C2CC2)s1 ZINC000185001388 1140130640 /nfs/dbraw/zinc/13/06/40/1140130640.db2.gz DWLGNINRNPVQLO-OAHLLOKOSA-N 1 2 343.496 3.602 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cnc(Cl)s2)CC1 ZINC000185462060 1140151298 /nfs/dbraw/zinc/15/12/98/1140151298.db2.gz IYSCUBUZTOPJDJ-NSHDSACASA-N 1 2 327.906 3.737 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187804666 1140272700 /nfs/dbraw/zinc/27/27/00/1140272700.db2.gz QYWUNZVHYWXBQJ-QGTPRVQTSA-N 1 2 331.435 3.823 20 0 EHADLO CC(C)Oc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000187906527 1140276165 /nfs/dbraw/zinc/27/61/65/1140276165.db2.gz JEEKHHCDKSZQRY-UHFFFAOYSA-N 1 2 332.454 3.803 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1C=CCCC1 ZINC000188166783 1140285704 /nfs/dbraw/zinc/28/57/04/1140285704.db2.gz VEMWSCSKUYYYMZ-QGZVFWFLSA-N 1 2 328.456 3.512 20 0 EHADLO CSCCCCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000188177573 1140285933 /nfs/dbraw/zinc/28/59/33/1140285933.db2.gz WAVVCUUMOMGJBK-JXMROGBWSA-N 1 2 329.469 3.535 20 0 EHADLO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188760337 1140306771 /nfs/dbraw/zinc/30/67/71/1140306771.db2.gz FBKWMHGZDGDSTD-KSSFIOAISA-N 1 2 339.439 3.640 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc(Cl)c1 ZINC000189141608 1140323351 /nfs/dbraw/zinc/32/33/51/1140323351.db2.gz MLBPPBWTFSOOCD-UHFFFAOYSA-N 1 2 335.860 3.717 20 0 EHADLO Cc1ccc2cc(CNc3cc(CSCCO)cc[nH+]3)ccc2n1 ZINC000189412882 1140343024 /nfs/dbraw/zinc/34/30/24/1140343024.db2.gz QOXGAUXDAJZGTM-UHFFFAOYSA-N 1 2 339.464 3.776 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189721291 1140360321 /nfs/dbraw/zinc/36/03/21/1140360321.db2.gz XJLZWLWXASVOPC-GJZGRUSLSA-N 1 2 337.395 3.593 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189721291 1140360326 /nfs/dbraw/zinc/36/03/26/1140360326.db2.gz XJLZWLWXASVOPC-GJZGRUSLSA-N 1 2 337.395 3.593 20 0 EHADLO CCc1nnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190357810 1140400890 /nfs/dbraw/zinc/40/08/90/1140400890.db2.gz ZGHHOJBNZJDIHO-JTQLQIEISA-N 1 2 344.242 3.838 20 0 EHADLO CCc1nnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190357810 1140400893 /nfs/dbraw/zinc/40/08/93/1140400893.db2.gz ZGHHOJBNZJDIHO-JTQLQIEISA-N 1 2 344.242 3.838 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000190535555 1140408571 /nfs/dbraw/zinc/40/85/71/1140408571.db2.gz NFZXWVADJRZOTP-INIZCTEOSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000190535555 1140408572 /nfs/dbraw/zinc/40/85/72/1140408572.db2.gz NFZXWVADJRZOTP-INIZCTEOSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000191632955 1140476728 /nfs/dbraw/zinc/47/67/28/1140476728.db2.gz DVOPGPNWWIPYHA-UHFFFAOYSA-N 1 2 348.450 3.743 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192047210 1140499134 /nfs/dbraw/zinc/49/91/34/1140499134.db2.gz NVNYRJNEEBWXOZ-YOEHRIQHSA-N 1 2 335.835 3.541 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192040488 1140499256 /nfs/dbraw/zinc/49/92/56/1140499256.db2.gz FNZORFVKHBAGRB-PBHICJAKSA-N 1 2 335.835 3.685 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cc(F)ccc1F ZINC000192248716 1140513878 /nfs/dbraw/zinc/51/38/78/1140513878.db2.gz WNJUTSCAOZYFMX-UHFFFAOYSA-N 1 2 349.425 3.595 20 0 EHADLO Cc1nc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc[nH+]1 ZINC000266192737 1140653105 /nfs/dbraw/zinc/65/31/05/1140653105.db2.gz CCAOUSYLYHPCAJ-UHFFFAOYSA-N 1 2 328.803 3.964 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266489542 1140693692 /nfs/dbraw/zinc/69/36/92/1140693692.db2.gz SDBAMMNYDHTAJN-HNNXBMFYSA-N 1 2 331.485 3.535 20 0 EHADLO Cc1cc(N(C)Cc2nc(C(F)(F)F)cs2)nc(C2CC2)[nH+]1 ZINC000266849296 1140729191 /nfs/dbraw/zinc/72/91/91/1140729191.db2.gz QPZOFKUIKFERMC-UHFFFAOYSA-N 1 2 328.363 3.774 20 0 EHADLO CC(C)c1ccc(SCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000267006101 1140749866 /nfs/dbraw/zinc/74/98/66/1140749866.db2.gz ALUVTFATZMUTGE-OAHLLOKOSA-N 1 2 331.485 3.551 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000267458444 1140794004 /nfs/dbraw/zinc/79/40/04/1140794004.db2.gz SHDVIBMJKIENFN-LBPRGKRZSA-N 1 2 337.407 3.521 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000267458444 1140794011 /nfs/dbraw/zinc/79/40/11/1140794011.db2.gz SHDVIBMJKIENFN-LBPRGKRZSA-N 1 2 337.407 3.521 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)cs1 ZINC000267661543 1140818068 /nfs/dbraw/zinc/81/80/68/1140818068.db2.gz WTGGAKNDCXWIGI-CQSZACIVSA-N 1 2 342.468 3.634 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000267837121 1140842524 /nfs/dbraw/zinc/84/25/24/1140842524.db2.gz YPMYDGQEAYJLAQ-UHFFFAOYSA-N 1 2 330.432 3.662 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268342566 1140923008 /nfs/dbraw/zinc/92/30/08/1140923008.db2.gz ANSKJFGHEQKJRW-QAPCUYQASA-N 1 2 345.874 3.969 20 0 EHADLO COc1coc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)cc1=O ZINC000268528908 1140951888 /nfs/dbraw/zinc/95/18/88/1140951888.db2.gz IAQPLCCWLMSGPH-UHFFFAOYSA-N 1 2 349.377 3.871 20 0 EHADLO COc1coc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)cc1=O ZINC000268528908 1140951892 /nfs/dbraw/zinc/95/18/92/1140951892.db2.gz IAQPLCCWLMSGPH-UHFFFAOYSA-N 1 2 349.377 3.871 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000268986009 1141039307 /nfs/dbraw/zinc/03/93/07/1141039307.db2.gz LOSHGXPVJYNEQF-LJQANCHMSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000268998375 1141041433 /nfs/dbraw/zinc/04/14/33/1141041433.db2.gz SACSYCQVQYXMCW-GFCCVEGCSA-N 1 2 340.254 3.842 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000269139320 1141070587 /nfs/dbraw/zinc/07/05/87/1141070587.db2.gz ZGLBEZMEOQTZOZ-UHFFFAOYSA-N 1 2 337.876 3.567 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269448388 1141109767 /nfs/dbraw/zinc/10/97/67/1141109767.db2.gz ORGATEQUVWHUJD-OAHLLOKOSA-N 1 2 343.496 3.685 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269742998 1141140531 /nfs/dbraw/zinc/14/05/31/1141140531.db2.gz LGWMDSXYLRHNLP-MRXNPFEDSA-N 1 2 341.455 3.708 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270048064 1141172962 /nfs/dbraw/zinc/17/29/62/1141172962.db2.gz UEURBZSHRRTCOV-ZFWWWQNUSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000270196923 1141190883 /nfs/dbraw/zinc/19/08/83/1141190883.db2.gz LOIBXUJILDEFFY-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ncc(Br)s1 ZINC000270291022 1141202730 /nfs/dbraw/zinc/20/27/30/1141202730.db2.gz ZRVWCBAXNDECSR-LDYMZIIASA-N 1 2 339.258 3.949 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000270629670 1141247951 /nfs/dbraw/zinc/24/79/51/1141247951.db2.gz QDVJIJRVIUKPRG-UHFFFAOYSA-N 1 2 349.438 3.808 20 0 EHADLO CC1(C)Cc2cc(CNc3cc(CSCCO)cc[nH+]3)ccc2O1 ZINC000270700480 1141258361 /nfs/dbraw/zinc/25/83/61/1141258361.db2.gz YAEHZWAKASRBBA-UHFFFAOYSA-N 1 2 344.480 3.633 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734698 1141264059 /nfs/dbraw/zinc/26/40/59/1141264059.db2.gz VOODRUXOQMBAFV-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734698 1141264063 /nfs/dbraw/zinc/26/40/63/1141264063.db2.gz VOODRUXOQMBAFV-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270984567 1141290844 /nfs/dbraw/zinc/29/08/44/1141290844.db2.gz HBCXAYRJJOZWJD-CQSZACIVSA-N 1 2 338.411 3.723 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270984567 1141290845 /nfs/dbraw/zinc/29/08/45/1141290845.db2.gz HBCXAYRJJOZWJD-CQSZACIVSA-N 1 2 338.411 3.723 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000271121584 1141311084 /nfs/dbraw/zinc/31/10/84/1141311084.db2.gz KEXSUVAGCLBAPM-SFHVURJKSA-N 1 2 337.471 3.862 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000271121584 1141311092 /nfs/dbraw/zinc/31/10/92/1141311092.db2.gz KEXSUVAGCLBAPM-SFHVURJKSA-N 1 2 337.471 3.862 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317893 1141344700 /nfs/dbraw/zinc/34/47/00/1141344700.db2.gz JFTBOMDCMWCQKY-MDZRGWNJSA-N 1 2 346.434 3.674 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(Cl)s1 ZINC000271355507 1141350355 /nfs/dbraw/zinc/35/03/55/1141350355.db2.gz ZDBLWYZZNRNTHD-SNVBAGLBSA-N 1 2 333.844 3.981 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000271355507 1141350360 /nfs/dbraw/zinc/35/03/60/1141350360.db2.gz ZDBLWYZZNRNTHD-SNVBAGLBSA-N 1 2 333.844 3.981 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000271395320 1141357766 /nfs/dbraw/zinc/35/77/66/1141357766.db2.gz UQQKLKWEJWCGRB-PFWMLDTASA-N 1 2 338.455 3.584 20 0 EHADLO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000271395320 1141357774 /nfs/dbraw/zinc/35/77/74/1141357774.db2.gz UQQKLKWEJWCGRB-PFWMLDTASA-N 1 2 338.455 3.584 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nc2ccc(Cl)cc2n1C ZINC000271697348 1141420931 /nfs/dbraw/zinc/42/09/31/1141420931.db2.gz LCXNWLQYWPMTDA-YGRLFVJLSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1nc2ccc(Cl)cc2n1C ZINC000271697348 1141420934 /nfs/dbraw/zinc/42/09/34/1141420934.db2.gz LCXNWLQYWPMTDA-YGRLFVJLSA-N 1 2 329.835 3.678 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cnc([C@H]2CCCO2)s1 ZINC000273885768 1141440054 /nfs/dbraw/zinc/44/00/54/1141440054.db2.gz BPDPYAZEBNBVFT-OAHLLOKOSA-N 1 2 328.441 3.976 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000274332059 1141498142 /nfs/dbraw/zinc/49/81/42/1141498142.db2.gz RHXBFKUUBQTXFJ-UHFFFAOYSA-N 1 2 331.485 3.985 20 0 EHADLO Cc1ccc(-c2cc(C(=O)Nc3ccccc3-n3cc[nH+]c3)n[nH]2)cc1 ZINC000339133392 1141505858 /nfs/dbraw/zinc/50/58/58/1141505858.db2.gz OQLICTSBRCTJQK-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274373971 1141508182 /nfs/dbraw/zinc/50/81/82/1141508182.db2.gz LKQXEQDROQCJCL-SECBINFHSA-N 1 2 346.422 3.871 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000339201465 1141526379 /nfs/dbraw/zinc/52/63/79/1141526379.db2.gz RUXSYFPNEKVSHK-DZGCQCFKSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000348572411 1141553263 /nfs/dbraw/zinc/55/32/63/1141553263.db2.gz BRURMPDNNPAHOZ-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000348572411 1141553268 /nfs/dbraw/zinc/55/32/68/1141553268.db2.gz BRURMPDNNPAHOZ-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349061331 1141631321 /nfs/dbraw/zinc/63/13/21/1141631321.db2.gz IVYZVBPZODMQAI-LJQANCHMSA-N 1 2 347.418 3.566 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349061331 1141631324 /nfs/dbraw/zinc/63/13/24/1141631324.db2.gz IVYZVBPZODMQAI-LJQANCHMSA-N 1 2 347.418 3.566 20 0 EHADLO O=C(/C=C\c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033295868 202256149 /nfs/dbraw/zinc/25/61/49/202256149.db2.gz FSYSSVWBDAYUEO-BZHJKGMVSA-N 1 2 332.447 3.557 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)oc1C ZINC000253397447 201186391 /nfs/dbraw/zinc/18/63/91/201186391.db2.gz UOXOTXYDTHHZFR-SWLSCSKDSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)oc1C ZINC000253397447 201186393 /nfs/dbraw/zinc/18/63/93/201186393.db2.gz UOXOTXYDTHHZFR-SWLSCSKDSA-N 1 2 340.345 3.618 20 0 EHADLO O=S(=O)(Cc1cn2cc(Cl)ccc2[nH+]1)c1ccc(Cl)cc1 ZINC000096939357 201378049 /nfs/dbraw/zinc/37/80/49/201378049.db2.gz GNPBQZHNRDCFAP-UHFFFAOYSA-N 1 2 341.219 3.615 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c(C)[nH+]1 ZINC000097263060 201384014 /nfs/dbraw/zinc/38/40/14/201384014.db2.gz CAKYEFROCWWLMB-PIGZYNQJSA-N 1 2 337.423 3.854 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(F)cc1F ZINC000022964956 212339008 /nfs/dbraw/zinc/33/90/08/212339008.db2.gz GMNUBOINUAYGPZ-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(F)cc1F ZINC000022964956 212339012 /nfs/dbraw/zinc/33/90/12/212339012.db2.gz GMNUBOINUAYGPZ-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c(C)c1 ZINC000022469542 212299565 /nfs/dbraw/zinc/29/95/65/212299565.db2.gz IADZKOGRYQJNQR-SFHVURJKSA-N 1 2 337.398 3.695 20 0 EHADLO CCc1nc(NC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)sc1C ZINC000369784560 564094580 /nfs/dbraw/zinc/09/45/80/564094580.db2.gz PAVJPWSNTXLOEG-CQSZACIVSA-N 1 2 347.488 3.989 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC2(CCCC2)CC1 ZINC000822333112 599566415 /nfs/dbraw/zinc/56/64/15/599566415.db2.gz WYAKBEUCBJGLRO-UHFFFAOYSA-N 1 2 348.454 3.884 20 0 EHADLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824656880 609161807 /nfs/dbraw/zinc/16/18/07/609161807.db2.gz NOZQLEQILXZVPJ-CQSZACIVSA-N 1 2 334.427 3.640 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1F ZINC000824200750 609381834 /nfs/dbraw/zinc/38/18/34/609381834.db2.gz UKDQCMUADWGPQR-OAHLLOKOSA-N 1 2 349.797 3.739 20 0 EHADLO O=C([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC001595232079 949352510 /nfs/dbraw/zinc/35/25/10/949352510.db2.gz FKFIKZNQMFXVOQ-VQTJNVASSA-N 1 2 347.418 3.600 20 0 EHADLO CCn1nncc1C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000459419256 1032068505 /nfs/dbraw/zinc/06/85/05/1032068505.db2.gz DRMIMLAPELFSDD-UHFFFAOYSA-N 1 2 325.243 3.774 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2nccs2)CC1 ZINC000135167502 1032076983 /nfs/dbraw/zinc/07/69/83/1032076983.db2.gz ZOSZLCOGYMLKKJ-UHFFFAOYSA-N 1 2 349.525 3.721 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc(OC)c1 ZINC000536662772 1032080027 /nfs/dbraw/zinc/08/00/27/1032080027.db2.gz YNVGVSCGUDSLOP-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc(OC)c1 ZINC000536662772 1032080037 /nfs/dbraw/zinc/08/00/37/1032080037.db2.gz YNVGVSCGUDSLOP-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO CCOc1ccc2cc(C(=O)Nc3ccc4[nH+]c(C)cn4c3)[nH]c2c1 ZINC000339275242 1014142542 /nfs/dbraw/zinc/14/25/42/1014142542.db2.gz WJYMZRCXXGCRNY-UHFFFAOYSA-N 1 2 334.379 3.775 20 0 EHADLO CCc1nocc1CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000339319890 1014211485 /nfs/dbraw/zinc/21/14/85/1014211485.db2.gz NYIYHMKZFNXWQT-UHFFFAOYSA-N 1 2 342.468 3.938 20 0 EHADLO CCc1nocc1CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000339319890 1014211490 /nfs/dbraw/zinc/21/14/90/1014211490.db2.gz NYIYHMKZFNXWQT-UHFFFAOYSA-N 1 2 342.468 3.938 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1C ZINC000343725989 1032086291 /nfs/dbraw/zinc/08/62/91/1032086291.db2.gz PWOVHGIZQZLCHA-UHFFFAOYSA-N 1 2 341.377 3.703 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1C ZINC000343725989 1032086307 /nfs/dbraw/zinc/08/63/07/1032086307.db2.gz PWOVHGIZQZLCHA-UHFFFAOYSA-N 1 2 341.377 3.703 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000536667359 1032089423 /nfs/dbraw/zinc/08/94/23/1032089423.db2.gz ZNBDLBXQAKGMDV-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000536667359 1032089434 /nfs/dbraw/zinc/08/94/34/1032089434.db2.gz ZNBDLBXQAKGMDV-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO Cc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)nc(C(C)C)[nH+]1 ZINC000339358477 1014277123 /nfs/dbraw/zinc/27/71/23/1014277123.db2.gz HYGGXLFMFLABMM-INIZCTEOSA-N 1 2 335.455 3.927 20 0 EHADLO Cc1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc(C(F)(F)F)c1 ZINC000683120842 1014393999 /nfs/dbraw/zinc/39/39/99/1014393999.db2.gz QPLLEWNOOJXKDS-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(-n2cccn2)c(F)c1 ZINC000339430072 1014418605 /nfs/dbraw/zinc/41/86/05/1014418605.db2.gz OJQACJZGSRNWFP-JTQLQIEISA-N 1 2 336.823 3.972 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CCS1 ZINC000536668301 1032092684 /nfs/dbraw/zinc/09/26/84/1032092684.db2.gz RXFBWWMUAFFAMN-SECBINFHSA-N 1 2 336.320 3.847 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CCS1 ZINC000536668301 1032092706 /nfs/dbraw/zinc/09/27/06/1032092706.db2.gz RXFBWWMUAFFAMN-SECBINFHSA-N 1 2 336.320 3.847 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CCO2)c1 ZINC000449021857 1032093681 /nfs/dbraw/zinc/09/36/81/1032093681.db2.gz VXGNWQUCMBGXNY-GOSISDBHSA-N 1 2 345.464 3.873 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CCO2)c1 ZINC000449021857 1032093667 /nfs/dbraw/zinc/09/36/67/1032093667.db2.gz VXGNWQUCMBGXNY-GOSISDBHSA-N 1 2 345.464 3.873 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000430167556 1014530138 /nfs/dbraw/zinc/53/01/38/1014530138.db2.gz PZJFGNCXPXVSAF-MRXNPFEDSA-N 1 2 349.434 3.664 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000430167556 1014530144 /nfs/dbraw/zinc/53/01/44/1014530144.db2.gz PZJFGNCXPXVSAF-MRXNPFEDSA-N 1 2 349.434 3.664 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000339472434 1014539302 /nfs/dbraw/zinc/53/93/02/1014539302.db2.gz YMOLBQWKMSGEOB-LSTHTHJFSA-N 1 2 345.446 3.693 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683160455 1014625647 /nfs/dbraw/zinc/62/56/47/1014625647.db2.gz MSVCUSYNKGFUGY-LJQANCHMSA-N 1 2 338.455 3.697 20 0 EHADLO Oc1ccc(F)c(C[NH2+]Cc2cc(F)cc(Br)c2)c1F ZINC000510071173 1014663875 /nfs/dbraw/zinc/66/38/75/1014663875.db2.gz JORXQIPEFUFKDE-UHFFFAOYSA-N 1 2 346.146 3.862 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)[nH+]c1C ZINC000584303034 1032101109 /nfs/dbraw/zinc/10/11/09/1032101109.db2.gz VZLBSPCGICZBMY-UHFFFAOYSA-N 1 2 326.444 3.511 20 0 EHADLO CCC(CC)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440769516 1014712279 /nfs/dbraw/zinc/71/22/79/1014712279.db2.gz DIERATYFUNPIRD-LJQANCHMSA-N 1 2 342.487 3.977 20 0 EHADLO COc1ccc2cc(NCc3ccc(-c4ncon4)cc3)[nH+]cc2c1 ZINC001167066069 1014900611 /nfs/dbraw/zinc/90/06/11/1014900611.db2.gz KZPSVAHRAAFBMD-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC000339572380 1015046675 /nfs/dbraw/zinc/04/66/75/1015046675.db2.gz RMLSHAXNHLOADP-UHFFFAOYSA-N 1 2 335.407 3.522 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1)C(C)C ZINC000070754295 1015210171 /nfs/dbraw/zinc/21/01/71/1015210171.db2.gz DDCOKYYLAIUYDC-APWZRJJASA-N 1 2 328.456 3.993 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H](C2CCC2)C1 ZINC000620205327 1125500553 /nfs/dbraw/zinc/50/05/53/1125500553.db2.gz ZHNJKSDPNBOYEC-RTBURBONSA-N 1 2 337.467 3.970 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000254989668 1015375406 /nfs/dbraw/zinc/37/54/06/1015375406.db2.gz BVQAMEKUXXRAQK-IHWYPQMZSA-N 1 2 331.419 3.900 20 0 EHADLO CCCCC/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000179508752 1015414932 /nfs/dbraw/zinc/41/49/32/1015414932.db2.gz SFVHLUMSSVSOCO-YWXUCKCNSA-N 1 2 335.513 3.769 20 0 EHADLO CCCCC/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000179508752 1015414941 /nfs/dbraw/zinc/41/49/41/1015414941.db2.gz SFVHLUMSSVSOCO-YWXUCKCNSA-N 1 2 335.513 3.769 20 0 EHADLO CC[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047270934 1015474323 /nfs/dbraw/zinc/47/43/23/1015474323.db2.gz YBLYWAJTSOVIRE-GOSISDBHSA-N 1 2 333.435 3.855 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000154519824 1015520116 /nfs/dbraw/zinc/52/01/16/1015520116.db2.gz ZAMWODFLQIXYDN-VQIMIIECSA-N 1 2 340.471 3.818 20 0 EHADLO COc1cccc([C@H](C)[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000343736172 1032118743 /nfs/dbraw/zinc/11/87/43/1032118743.db2.gz PRNZVYVMTXSQLD-LBPRGKRZSA-N 1 2 327.350 3.647 20 0 EHADLO COc1cccc([C@H](C)[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000343736172 1032118749 /nfs/dbraw/zinc/11/87/49/1032118749.db2.gz PRNZVYVMTXSQLD-LBPRGKRZSA-N 1 2 327.350 3.647 20 0 EHADLO Brc1cncc(C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000662332487 1015701576 /nfs/dbraw/zinc/70/15/76/1015701576.db2.gz WJNLODXBHQPEAZ-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO Brc1cncc(C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000662332487 1015701581 /nfs/dbraw/zinc/70/15/81/1015701581.db2.gz WJNLODXBHQPEAZ-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO C[C@H](COCC1CCCCC1)[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000932422710 1015701735 /nfs/dbraw/zinc/70/17/35/1015701735.db2.gz LGFPUSUWHUULMI-SNVBAGLBSA-N 1 2 337.411 3.632 20 0 EHADLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000430283614 1015777513 /nfs/dbraw/zinc/77/75/13/1015777513.db2.gz IFXUYUNJFDUHNN-LLVKDONJSA-N 1 2 333.482 3.708 20 0 EHADLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000430283614 1015777514 /nfs/dbraw/zinc/77/75/14/1015777514.db2.gz IFXUYUNJFDUHNN-LLVKDONJSA-N 1 2 333.482 3.708 20 0 EHADLO CC(C)c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000060059494 1015791731 /nfs/dbraw/zinc/79/17/31/1015791731.db2.gz WECNWBVPNVRZEU-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000154898822 1015917144 /nfs/dbraw/zinc/91/71/44/1015917144.db2.gz SGJTWBDXGCJTTJ-UXHICEINSA-N 1 2 333.435 3.689 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154982154 1016021657 /nfs/dbraw/zinc/02/16/57/1016021657.db2.gz QPPZXZCVKXPAEC-UHFFFAOYSA-N 1 2 331.803 3.753 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(F)c1 ZINC000547767626 1016043092 /nfs/dbraw/zinc/04/30/92/1016043092.db2.gz AFXTUHZTUXIQKJ-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(F)c1 ZINC000547767626 1016043100 /nfs/dbraw/zinc/04/31/00/1016043100.db2.gz AFXTUHZTUXIQKJ-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1ccccc1-n1cccn1 ZINC000183169098 1032138572 /nfs/dbraw/zinc/13/85/72/1032138572.db2.gz IVGKWCIKQRKPFO-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(C2CCCCC2)[nH]n1 ZINC000340039254 1016155627 /nfs/dbraw/zinc/15/56/27/1016155627.db2.gz SPQGMRPMPUGHEL-UHFFFAOYSA-N 1 2 335.411 3.895 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569936 1016176906 /nfs/dbraw/zinc/17/69/06/1016176906.db2.gz AYJRMHILGODQKY-IRXDYDNUSA-N 1 2 347.503 3.806 20 0 EHADLO Cc1ccc2c(c1)nc(Cl)nc2N1CCC(n2cc[nH+]c2)CC1 ZINC001167125651 1016205909 /nfs/dbraw/zinc/20/59/09/1016205909.db2.gz BUOFUJWPUFIXKC-UHFFFAOYSA-N 1 2 327.819 3.630 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155181474 1016269366 /nfs/dbraw/zinc/26/93/66/1016269366.db2.gz UEVIVXACSPQAGM-QGZVFWFLSA-N 1 2 342.487 3.810 20 0 EHADLO CN(CCO)c1ccc(NCc2ccc(F)c(Cl)c2Cl)[nH+]c1 ZINC000683344631 1016282408 /nfs/dbraw/zinc/28/24/08/1016282408.db2.gz ZRLVQDXOMORODF-UHFFFAOYSA-N 1 2 344.217 3.568 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C(C)C ZINC000510213004 1016447245 /nfs/dbraw/zinc/44/72/45/1016447245.db2.gz ZNASEDKTQQYFRU-UHFFFAOYSA-N 1 2 335.778 3.715 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C(C)C ZINC000510213004 1016447256 /nfs/dbraw/zinc/44/72/56/1016447256.db2.gz ZNASEDKTQQYFRU-UHFFFAOYSA-N 1 2 335.778 3.715 20 0 EHADLO CCC(C)(C)C1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000178271955 1016580517 /nfs/dbraw/zinc/58/05/17/1016580517.db2.gz KZBFGYSNWAGVHG-UHFFFAOYSA-N 1 2 334.508 3.910 20 0 EHADLO CC1CC([N@H+](C)Cc2c(F)cccc2I)C1 ZINC001140086948 1016581426 /nfs/dbraw/zinc/58/14/26/1016581426.db2.gz GYNIKTYBWZTFDH-UHFFFAOYSA-N 1 2 333.188 3.661 20 0 EHADLO CC1CC([N@@H+](C)Cc2c(F)cccc2I)C1 ZINC001140086948 1016581438 /nfs/dbraw/zinc/58/14/38/1016581438.db2.gz GYNIKTYBWZTFDH-UHFFFAOYSA-N 1 2 333.188 3.661 20 0 EHADLO C[C@@]([NH2+]Cc1ccccc1Oc1ccccc1)(C(N)=O)c1ccccc1 ZINC000178527157 1016715358 /nfs/dbraw/zinc/71/53/58/1016715358.db2.gz WUQLLZIPBUIZFP-QFIPXVFZSA-N 1 2 346.430 3.969 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000705991160 1016799592 /nfs/dbraw/zinc/79/95/92/1016799592.db2.gz RKZHIPPTWVESHN-MEDUHNTESA-N 1 2 345.349 3.620 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1OC ZINC000668845552 1016805400 /nfs/dbraw/zinc/80/54/00/1016805400.db2.gz XWJSRLGPLDIMTA-UHFFFAOYSA-N 1 2 349.862 3.809 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CCCc3n[nH]cc3C2)cc1OC ZINC000668845552 1016805427 /nfs/dbraw/zinc/80/54/27/1016805427.db2.gz XWJSRLGPLDIMTA-UHFFFAOYSA-N 1 2 349.862 3.809 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340263691 1016817820 /nfs/dbraw/zinc/81/78/20/1016817820.db2.gz KGNSSLDJSRZZME-BZUAXINKSA-N 1 2 334.464 3.687 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)C2 ZINC000579904644 1016868647 /nfs/dbraw/zinc/86/86/47/1016868647.db2.gz IFZAABYQYGPDHX-FPCVCCKLSA-N 1 2 331.504 3.827 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)CC2 ZINC000579904644 1016868659 /nfs/dbraw/zinc/86/86/59/1016868659.db2.gz IFZAABYQYGPDHX-FPCVCCKLSA-N 1 2 331.504 3.827 20 0 EHADLO Cc1cc(NC(=O)N2CCCn3c(cc4ccccc43)C2)c(C)c[nH+]1 ZINC000376631098 1016959866 /nfs/dbraw/zinc/95/98/66/1016959866.db2.gz ZDRASUJNILJXFG-UHFFFAOYSA-N 1 2 334.423 3.513 20 0 EHADLO COc1cncc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000343752021 1032168061 /nfs/dbraw/zinc/16/80/61/1032168061.db2.gz DUHCLUVVVHCRDM-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000536721366 1032182568 /nfs/dbraw/zinc/18/25/68/1032182568.db2.gz MHLYVOOKTZQTDL-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO C(C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)OCC1CCCC1 ZINC000459473542 1032187439 /nfs/dbraw/zinc/18/74/39/1032187439.db2.gz DEFUTZAKQRSJMD-IAGOWNOFSA-N 1 2 349.475 3.655 20 0 EHADLO C(C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)OCC1CCCC1 ZINC000459473542 1032187450 /nfs/dbraw/zinc/18/74/50/1032187450.db2.gz DEFUTZAKQRSJMD-IAGOWNOFSA-N 1 2 349.475 3.655 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000584359870 1032201550 /nfs/dbraw/zinc/20/15/50/1032201550.db2.gz QCLQKYKXPBPSSJ-QGZVFWFLSA-N 1 2 347.462 3.559 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000584359870 1032201565 /nfs/dbraw/zinc/20/15/65/1032201565.db2.gz QCLQKYKXPBPSSJ-QGZVFWFLSA-N 1 2 347.462 3.559 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000449094212 1032202048 /nfs/dbraw/zinc/20/20/48/1032202048.db2.gz QZGKCRXVKOTQEK-UHFFFAOYSA-N 1 2 347.462 3.968 20 0 EHADLO O=C(Nc1ccc2ccccc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184022482 1032226234 /nfs/dbraw/zinc/22/62/34/1032226234.db2.gz RVOVLKXUASFXPP-UHFFFAOYSA-N 1 2 346.434 3.979 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1nc(C(F)(F)F)cs1 ZINC000459509901 1032234479 /nfs/dbraw/zinc/23/44/79/1032234479.db2.gz WHXZFQKBXXWBBF-MRVPVSSYSA-N 1 2 328.363 3.680 20 0 EHADLO Fc1ccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000080973785 1032234655 /nfs/dbraw/zinc/23/46/55/1032234655.db2.gz JJDQODONDLYZDL-LBPRGKRZSA-N 1 2 338.224 3.691 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000538278617 1032267365 /nfs/dbraw/zinc/26/73/65/1032267365.db2.gz CJSSOZWEEOOJCY-CYBMUJFWSA-N 1 2 334.822 3.755 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cccc(O)c2Br)o1 ZINC000459552991 1032269892 /nfs/dbraw/zinc/26/98/92/1032269892.db2.gz AWOOCQOKTQPIPM-UHFFFAOYSA-N 1 2 339.233 3.693 20 0 EHADLO Cc1ccncc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528427318 1032282767 /nfs/dbraw/zinc/28/27/67/1032282767.db2.gz WAICNLHXBFIGQF-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccncc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528427318 1032282755 /nfs/dbraw/zinc/28/27/55/1032282755.db2.gz WAICNLHXBFIGQF-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(N(C)C)[nH+]1 ZINC000162186696 1032321939 /nfs/dbraw/zinc/32/19/39/1032321939.db2.gz SIEDDDUZIRHDEE-CYBMUJFWSA-N 1 2 330.407 3.820 20 0 EHADLO CC1(C)CC(C[NH2+][C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000528453471 1032326886 /nfs/dbraw/zinc/32/68/86/1032326886.db2.gz OEEPQTMIFXIOAR-CQSZACIVSA-N 1 2 338.377 3.939 20 0 EHADLO c1cc(N2CCOCC2)[nH+]cc1NC1CCC(OC2CCCC2)CC1 ZINC000449222997 1032339896 /nfs/dbraw/zinc/33/98/96/1032339896.db2.gz NKHNAVSHBZBABY-UHFFFAOYSA-N 1 2 345.487 3.601 20 0 EHADLO O=C(CCc1ccccc1F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000653032981 1032342175 /nfs/dbraw/zinc/34/21/75/1032342175.db2.gz OPXHQQAXBLECOO-QAQDUYKDSA-N 1 2 341.430 3.693 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000136177026 1032346042 /nfs/dbraw/zinc/34/60/42/1032346042.db2.gz DIZQOTWJWBZWIM-VQTJNVASSA-N 1 2 345.446 3.957 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1nc2c(s1)CCC2 ZINC000459643295 1032364340 /nfs/dbraw/zinc/36/43/40/1032364340.db2.gz CKNRCBDEDOLTJL-SECBINFHSA-N 1 2 338.274 3.640 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799652 1032366163 /nfs/dbraw/zinc/36/61/63/1032366163.db2.gz ZXYCTDIFZDSNHN-WMZOPIPTSA-N 1 2 345.512 3.593 20 0 EHADLO C[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)Cn1cc[nH+]c1 ZINC000081799914 1032366582 /nfs/dbraw/zinc/36/65/82/1032366582.db2.gz WGYDRJPNOPNALY-NEPJUHHUSA-N 1 2 340.254 3.746 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2ccc3cnoc3c2)cs1 ZINC001168108001 1032370876 /nfs/dbraw/zinc/37/08/76/1032370876.db2.gz BURVMGIQMZIRAZ-UHFFFAOYSA-N 1 2 348.497 3.691 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000185330045 1032379020 /nfs/dbraw/zinc/37/90/20/1032379020.db2.gz QJKZVAPDIOQPCS-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000185330045 1032379032 /nfs/dbraw/zinc/37/90/32/1032379032.db2.gz QJKZVAPDIOQPCS-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3cccc(Cl)c3C2)c1C ZINC000459667585 1032395148 /nfs/dbraw/zinc/39/51/48/1032395148.db2.gz AZQUVKWUXZCZRC-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3cccc(Cl)c3C2)c1C ZINC000459667585 1032395149 /nfs/dbraw/zinc/39/51/49/1032395149.db2.gz AZQUVKWUXZCZRC-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccccc3)s2)[nH]1 ZINC000459688726 1032417504 /nfs/dbraw/zinc/41/75/04/1032417504.db2.gz YJIFUVLKZUZVFD-UHFFFAOYSA-N 1 2 327.457 3.516 20 0 EHADLO c1csc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000528578886 1032461122 /nfs/dbraw/zinc/46/11/22/1032461122.db2.gz RJPWDWCZEVWMFN-UHFFFAOYSA-N 1 2 332.473 3.638 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)s1 ZINC000449334937 1032471734 /nfs/dbraw/zinc/47/17/34/1032471734.db2.gz KMAXFXCLRTVWFU-UHFFFAOYSA-N 1 2 334.445 3.653 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000449367158 1032482034 /nfs/dbraw/zinc/48/20/34/1032482034.db2.gz ZRROCTBEUUBXJU-DJLDLDEBSA-N 1 2 329.288 3.980 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000449367158 1032482035 /nfs/dbraw/zinc/48/20/35/1032482035.db2.gz ZRROCTBEUUBXJU-DJLDLDEBSA-N 1 2 329.288 3.980 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cs2)cc1 ZINC000459797217 1032479222 /nfs/dbraw/zinc/47/92/22/1032479222.db2.gz REKKFFMDDPYEFZ-HOCLYGCPSA-N 1 2 332.494 3.899 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cs2)cc1 ZINC000459797217 1032479231 /nfs/dbraw/zinc/47/92/31/1032479231.db2.gz REKKFFMDDPYEFZ-HOCLYGCPSA-N 1 2 332.494 3.899 20 0 EHADLO CCn1ccnc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000449369843 1032486418 /nfs/dbraw/zinc/48/64/18/1032486418.db2.gz VKBUXSJCDRIDNP-UHFFFAOYSA-N 1 2 325.334 3.581 20 0 EHADLO COc1ncc(Br)cc1C[N@H+](C)Cc1cccs1 ZINC000659825287 1017099732 /nfs/dbraw/zinc/09/97/32/1017099732.db2.gz ADUJWWNRKZXGNS-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+](C)Cc1cccs1 ZINC000659825287 1017099742 /nfs/dbraw/zinc/09/97/42/1017099742.db2.gz ADUJWWNRKZXGNS-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)o1 ZINC000088604729 1032506374 /nfs/dbraw/zinc/50/63/74/1032506374.db2.gz OKZKVJVZMPOUMP-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)o1 ZINC000088604729 1032506377 /nfs/dbraw/zinc/50/63/77/1032506377.db2.gz OKZKVJVZMPOUMP-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C(CF)CF)c1 ZINC000449382448 1032507472 /nfs/dbraw/zinc/50/74/72/1032507472.db2.gz WUGNTPJWFWDLKQ-UHFFFAOYSA-N 1 2 337.414 3.711 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nnnn1C1CCCCC1 ZINC000528656052 1032540584 /nfs/dbraw/zinc/54/05/84/1032540584.db2.gz FGWFYTMHCUFWOY-KBXCAEBGSA-N 1 2 340.475 3.765 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nnnn1C1CCCCC1 ZINC000528656054 1032540846 /nfs/dbraw/zinc/54/08/46/1032540846.db2.gz FGWFYTMHCUFWOY-KSSFIOAISA-N 1 2 340.475 3.765 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3c(F)cccc3Cl)cc(=O)n2c1 ZINC000537176871 1032549177 /nfs/dbraw/zinc/54/91/77/1032549177.db2.gz BXSVKVXFCSVNII-LBPRGKRZSA-N 1 2 345.805 3.646 20 0 EHADLO CC(C)c1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc(C(C)C)n1 ZINC000090111345 1032572698 /nfs/dbraw/zinc/57/26/98/1032572698.db2.gz QGNGRFONQZLQOR-INIZCTEOSA-N 1 2 326.444 3.776 20 0 EHADLO CCc1nc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cs1 ZINC000449437342 1032580450 /nfs/dbraw/zinc/58/04/50/1032580450.db2.gz LWIPCOXSOMPWIA-CQSZACIVSA-N 1 2 344.402 3.938 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c(C)n1 ZINC000090177313 1032577967 /nfs/dbraw/zinc/57/79/67/1032577967.db2.gz IIZIQPCEQDRNIS-SECBINFHSA-N 1 2 325.334 3.685 20 0 EHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC(C)(C)C ZINC000606191045 1032596945 /nfs/dbraw/zinc/59/69/45/1032596945.db2.gz SZIDUESEZMFMKP-SFHVURJKSA-N 1 2 346.515 3.562 20 0 EHADLO COc1ccc(-c2nn(C[NH+]3CCCCCCC3)c(=S)[nH]2)cc1 ZINC000058591780 1032600147 /nfs/dbraw/zinc/60/01/47/1032600147.db2.gz DEEOCQHOTLNXQY-UHFFFAOYSA-N 1 2 332.473 3.840 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cnc(-c3ccco3)s2)no1 ZINC000278771121 1032634537 /nfs/dbraw/zinc/63/45/37/1032634537.db2.gz OSJDAIVGBMSXJM-UHFFFAOYSA-N 1 2 347.440 3.996 20 0 EHADLO Cc1oc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1C ZINC000119114986 1032634730 /nfs/dbraw/zinc/63/47/30/1032634730.db2.gz XXEMXCXVHDKPQE-UHFFFAOYSA-N 1 2 337.358 3.777 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@@H](C)[S@]1=O ZINC000348543342 1032638385 /nfs/dbraw/zinc/63/83/85/1032638385.db2.gz GKCQVDOGIZOVBV-BZHBSQSBSA-N 1 2 345.455 3.636 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@@H](C)[S@]1=O ZINC000348543342 1032638392 /nfs/dbraw/zinc/63/83/92/1032638392.db2.gz GKCQVDOGIZOVBV-BZHBSQSBSA-N 1 2 345.455 3.636 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000592982299 1032649151 /nfs/dbraw/zinc/64/91/51/1032649151.db2.gz KWPCJHVHKBUWAF-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCCc2sccc2C1 ZINC000592982299 1032649158 /nfs/dbraw/zinc/64/91/58/1032649158.db2.gz KWPCJHVHKBUWAF-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1 ZINC000593041509 1032675157 /nfs/dbraw/zinc/67/51/57/1032675157.db2.gz VRMCAEQHPRIJHX-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1 ZINC000593041509 1032675173 /nfs/dbraw/zinc/67/51/73/1032675173.db2.gz VRMCAEQHPRIJHX-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Oc2ccccc2)cc1 ZINC000188351691 1017145151 /nfs/dbraw/zinc/14/51/51/1017145151.db2.gz XPMWRMDFRUXNMR-OAHLLOKOSA-N 1 2 335.407 3.632 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450309 1032692000 /nfs/dbraw/zinc/69/20/00/1032692000.db2.gz WBKRFTJJVVXUJF-INIZCTEOSA-N 1 2 340.442 3.794 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450309 1032692003 /nfs/dbraw/zinc/69/20/03/1032692003.db2.gz WBKRFTJJVVXUJF-INIZCTEOSA-N 1 2 340.442 3.794 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c2ccccc21 ZINC000377182048 1017390091 /nfs/dbraw/zinc/39/00/91/1017390091.db2.gz DQLUOZUJHMKWOJ-KBPBESRZSA-N 1 2 337.398 3.615 20 0 EHADLO O=C(Cc1cccc2ccccc21)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616996 1017442042 /nfs/dbraw/zinc/44/20/42/1017442042.db2.gz MQPMNUZTRUTEIW-UHFFFAOYSA-N 1 2 345.446 3.563 20 0 EHADLO c1c(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)nn2c1CCCC2 ZINC000655722697 1017463418 /nfs/dbraw/zinc/46/34/18/1017463418.db2.gz CBAJLEBPVBKUMR-UHFFFAOYSA-N 1 2 340.471 3.616 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000081799930 1032704012 /nfs/dbraw/zinc/70/40/12/1032704012.db2.gz LTOZUAJIEUTZJK-HNNXBMFYSA-N 1 2 348.450 3.683 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccc(C)o1 ZINC000655744106 1017520273 /nfs/dbraw/zinc/52/02/73/1017520273.db2.gz WREUILZTQBMFKJ-IBGZPJMESA-N 1 2 339.439 3.868 20 0 EHADLO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2cc3n(n2)CCCC3)c(C)c1 ZINC000655751760 1017536399 /nfs/dbraw/zinc/53/63/99/1017536399.db2.gz DYXMIRUQAJFLHK-OAQYLSRUSA-N 1 2 349.482 3.564 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC000655779682 1017574699 /nfs/dbraw/zinc/57/46/99/1017574699.db2.gz QJPJYEKMLVVYBL-AWEZNQCLSA-N 1 2 343.862 3.901 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1Br)c1nc2ccccc2n1C ZINC000625355692 1017577686 /nfs/dbraw/zinc/57/76/86/1017577686.db2.gz YHSRFEJQSYRKFE-LLVKDONJSA-N 1 2 345.244 3.582 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)n1 ZINC000892856515 1017595919 /nfs/dbraw/zinc/59/59/19/1017595919.db2.gz KGZCLWQCRACDRX-JTQLQIEISA-N 1 2 335.502 3.838 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026344998 1017615675 /nfs/dbraw/zinc/61/56/75/1017615675.db2.gz MRDPWYCUKBGYHE-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026344998 1017615681 /nfs/dbraw/zinc/61/56/81/1017615681.db2.gz MRDPWYCUKBGYHE-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO CC(C)c1nsc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000091628961 1032712309 /nfs/dbraw/zinc/71/23/09/1032712309.db2.gz VSHDZCBVDUDNMR-ZDUSSCGKSA-N 1 2 334.464 3.684 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCCn4ccnc43)n2)cc1 ZINC000655792798 1017623107 /nfs/dbraw/zinc/62/31/07/1017623107.db2.gz QCASSPWBGVPIBY-QGZVFWFLSA-N 1 2 338.386 3.834 20 0 EHADLO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCS2 ZINC000655793980 1017624205 /nfs/dbraw/zinc/62/42/05/1017624205.db2.gz FTZBLAKYAJBUQO-LSDHHAIUSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(OC(C)(C)C)cc1 ZINC000655793775 1017625416 /nfs/dbraw/zinc/62/54/16/1017625416.db2.gz CJFSTNDYWUIWLQ-XJKSGUPXSA-N 1 2 344.459 3.684 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCC2)cc1 ZINC000655795209 1017627649 /nfs/dbraw/zinc/62/76/49/1017627649.db2.gz ZTVQEQIPGLWHII-SJLPKXTDSA-N 1 2 326.444 3.596 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000655797176 1017636798 /nfs/dbraw/zinc/63/67/98/1017636798.db2.gz MIWXXBIEOUJQSH-GXFFZTMASA-N 1 2 340.349 3.526 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000579948600 1017657149 /nfs/dbraw/zinc/65/71/49/1017657149.db2.gz OUEHVKRXFJIKHD-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000579948600 1017657152 /nfs/dbraw/zinc/65/71/52/1017657152.db2.gz OUEHVKRXFJIKHD-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000121558800 1017731298 /nfs/dbraw/zinc/73/12/98/1017731298.db2.gz IVUIMYAHYYYJPG-UHFFFAOYSA-N 1 2 345.874 3.535 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000340425031 1017737848 /nfs/dbraw/zinc/73/78/48/1017737848.db2.gz COHMRXYJEVQEQF-UHFFFAOYSA-N 1 2 333.391 3.695 20 0 EHADLO Cc1[nH+]cc(Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1N ZINC001210289927 1017754741 /nfs/dbraw/zinc/75/47/41/1017754741.db2.gz AXWSBSJLSSOMFJ-UHFFFAOYSA-N 1 2 328.416 3.741 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000340428636 1017761004 /nfs/dbraw/zinc/76/10/04/1017761004.db2.gz XKFORSJTUPJKMF-BDAKNGLRSA-N 1 2 342.187 3.929 20 0 EHADLO Fc1ccccc1-n1ncc2c1nc[nH+]c2N[C@@H]1CCC(F)(F)C1 ZINC000892937936 1017795288 /nfs/dbraw/zinc/79/52/88/1017795288.db2.gz ISXRMPNHVJFRMB-SNVBAGLBSA-N 1 2 333.317 3.554 20 0 EHADLO c1ccc(N2Cc3cccc(N[C@H]4CCC45CCOCC5)c3C2)[nH+]c1 ZINC000574138396 1032729473 /nfs/dbraw/zinc/72/94/73/1032729473.db2.gz HTLTZXXNWXPPSG-IBGZPJMESA-N 1 2 335.451 3.973 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377535431 1017956024 /nfs/dbraw/zinc/95/60/24/1017956024.db2.gz HGZKTDJAHOJTOS-SECBINFHSA-N 1 2 341.242 3.758 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000574185891 1032734632 /nfs/dbraw/zinc/73/46/32/1032734632.db2.gz CJFZDQPXAIGHSS-CQSZACIVSA-N 1 2 340.254 3.954 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000574185891 1032734650 /nfs/dbraw/zinc/73/46/50/1032734650.db2.gz CJFZDQPXAIGHSS-CQSZACIVSA-N 1 2 340.254 3.954 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)s1 ZINC000377626924 1018079536 /nfs/dbraw/zinc/07/95/36/1018079536.db2.gz LNBXAAZUFLGZTN-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)s1 ZINC000377626924 1018079545 /nfs/dbraw/zinc/07/95/45/1018079545.db2.gz LNBXAAZUFLGZTN-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)on1 ZINC000047273974 1018089082 /nfs/dbraw/zinc/08/90/82/1018089082.db2.gz XHPMWJOWMYMUJM-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)on1 ZINC000047273974 1018089096 /nfs/dbraw/zinc/08/90/96/1018089096.db2.gz XHPMWJOWMYMUJM-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO CCC[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000626183199 1018167279 /nfs/dbraw/zinc/16/72/79/1018167279.db2.gz VPWASKOSPAYVEQ-KRWDZBQOSA-N 1 2 333.863 3.969 20 0 EHADLO CCCCc1noc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377684276 1018186961 /nfs/dbraw/zinc/18/69/61/1018186961.db2.gz WHGKUTICANWVDE-FDQGKXFDSA-N 1 2 346.450 3.647 20 0 EHADLO CCCCc1noc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377684276 1018186967 /nfs/dbraw/zinc/18/69/67/1018186967.db2.gz WHGKUTICANWVDE-FDQGKXFDSA-N 1 2 346.450 3.647 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cccc(OCCCOC)c1 ZINC000460650882 1018266525 /nfs/dbraw/zinc/26/65/25/1018266525.db2.gz ADYUVLOQNKFOSC-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO OC1(C2CCC2)CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000932819651 1018276003 /nfs/dbraw/zinc/27/60/03/1018276003.db2.gz PWDVKUVPZYNREC-UHFFFAOYSA-N 1 2 348.796 3.881 20 0 EHADLO CCn1cc(C[N@H+](Cc2cccc(C(=O)OC)c2Cl)C(C)C)cn1 ZINC000593083190 1032753122 /nfs/dbraw/zinc/75/31/22/1032753122.db2.gz ZAEPRTCAVISCBL-UHFFFAOYSA-N 1 2 349.862 3.754 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C(C)C)cn1 ZINC000593083190 1032753134 /nfs/dbraw/zinc/75/31/34/1032753134.db2.gz ZAEPRTCAVISCBL-UHFFFAOYSA-N 1 2 349.862 3.754 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC(F)F)c(OC)c1 ZINC000460677830 1018309000 /nfs/dbraw/zinc/30/90/00/1018309000.db2.gz ZJANPCFEIODELP-UHFFFAOYSA-N 1 2 347.365 3.700 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)c2ccccc2n1 ZINC000893070347 1018337942 /nfs/dbraw/zinc/33/79/42/1018337942.db2.gz GVFVXYPYQXECJJ-UHFFFAOYSA-N 1 2 328.441 3.508 20 0 EHADLO CCN(C(=O)CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000377787875 1018374323 /nfs/dbraw/zinc/37/43/23/1018374323.db2.gz HPJJIGFMDLBMSC-UHFFFAOYSA-N 1 2 346.519 3.772 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000606633210 1032761415 /nfs/dbraw/zinc/76/14/15/1032761415.db2.gz KKEAJACSIIFFEA-AEFFLSMTSA-N 1 2 344.503 3.792 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000606581555 1032764664 /nfs/dbraw/zinc/76/46/64/1032764664.db2.gz IHSNUYUWMSXQOJ-QGZVFWFLSA-N 1 2 338.386 3.712 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c(F)c(F)cc(F)c1F ZINC000177787745 1018475934 /nfs/dbraw/zinc/47/59/34/1018475934.db2.gz CEALRPJXBCFQDT-UHFFFAOYSA-N 1 2 335.260 3.885 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H](c1ccccc1)C1CCC1 ZINC000177951213 1018501607 /nfs/dbraw/zinc/50/16/07/1018501607.db2.gz MRGNOHCZRLTKAT-LJQANCHMSA-N 1 2 334.423 3.675 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000606583963 1032770813 /nfs/dbraw/zinc/77/08/13/1032770813.db2.gz VOSZETCPRYMJCY-OAHLLOKOSA-N 1 2 338.386 3.570 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000340592124 1018607150 /nfs/dbraw/zinc/60/71/50/1018607150.db2.gz JDZQQHITGRSVFQ-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000158116490 1018644597 /nfs/dbraw/zinc/64/45/97/1018644597.db2.gz ZILWKXPELAWSFN-UHFFFAOYSA-N 1 2 346.254 3.777 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2N)nn1 ZINC000639276153 1018682939 /nfs/dbraw/zinc/68/29/39/1018682939.db2.gz WLZNBTWPHOSVQA-UHFFFAOYSA-N 1 2 342.274 3.773 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000419348821 1018728433 /nfs/dbraw/zinc/72/84/33/1018728433.db2.gz LULLQCRRSVUFOH-UHFFFAOYSA-N 1 2 342.283 3.644 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213241 1018796199 /nfs/dbraw/zinc/79/61/99/1018796199.db2.gz KWIDGXOJNJTANP-GJZGRUSLSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213241 1018796217 /nfs/dbraw/zinc/79/62/17/1018796217.db2.gz KWIDGXOJNJTANP-GJZGRUSLSA-N 1 2 343.858 3.860 20 0 EHADLO CCCC1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000056799939 1018800048 /nfs/dbraw/zinc/80/00/48/1018800048.db2.gz CBOZKRRDBIMUBF-UHFFFAOYSA-N 1 2 344.503 3.840 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000052356775 1018801696 /nfs/dbraw/zinc/80/16/96/1018801696.db2.gz ZZINGRORZOJZIO-INIZCTEOSA-N 1 2 331.828 3.504 20 0 EHADLO O=C(C1CC2(CC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000614362571 1018856823 /nfs/dbraw/zinc/85/68/23/1018856823.db2.gz UEFLXSZLRKXOQF-UHFFFAOYSA-N 1 2 343.858 3.756 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1cscc1Br)c1ccccc1F ZINC000576404266 1018938048 /nfs/dbraw/zinc/93/80/48/1018938048.db2.gz GJHIQKZSIUPAKP-LKFCYVNXSA-N 1 2 344.249 3.861 20 0 EHADLO CSc1ncc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c(N)n1 ZINC001140253171 1018958862 /nfs/dbraw/zinc/95/88/62/1018958862.db2.gz HOAIHQLHPSMFAJ-UHFFFAOYSA-N 1 2 343.283 3.720 20 0 EHADLO CSc1ncc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c(N)n1 ZINC001140253171 1018958876 /nfs/dbraw/zinc/95/88/76/1018958876.db2.gz HOAIHQLHPSMFAJ-UHFFFAOYSA-N 1 2 343.283 3.720 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571462367 1018978952 /nfs/dbraw/zinc/97/89/52/1018978952.db2.gz ZVPGSRIAMOAYOA-RKVPGOIHSA-N 1 2 341.455 3.597 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571462367 1018978960 /nfs/dbraw/zinc/97/89/60/1018978960.db2.gz ZVPGSRIAMOAYOA-RKVPGOIHSA-N 1 2 341.455 3.597 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180844114 1018986921 /nfs/dbraw/zinc/98/69/21/1018986921.db2.gz LWQDZESJCYHFAQ-JQWIXIFHSA-N 1 2 341.274 3.944 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)c1cccs1)C2 ZINC000476066522 1032801547 /nfs/dbraw/zinc/80/15/47/1032801547.db2.gz YYMNBUWHBPEBCZ-LBPRGKRZSA-N 1 2 331.485 3.751 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1cccs1)CC2 ZINC000476066522 1032801561 /nfs/dbraw/zinc/80/15/61/1032801561.db2.gz YYMNBUWHBPEBCZ-LBPRGKRZSA-N 1 2 331.485 3.751 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345093717 1019015114 /nfs/dbraw/zinc/01/51/14/1019015114.db2.gz VEYLQDIRLJGEPB-CQSZACIVSA-N 1 2 326.396 3.677 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345093717 1019015131 /nfs/dbraw/zinc/01/51/31/1019015131.db2.gz VEYLQDIRLJGEPB-CQSZACIVSA-N 1 2 326.396 3.677 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21)n1cc[nH+]c1 ZINC000580332862 1019063439 /nfs/dbraw/zinc/06/34/39/1019063439.db2.gz GIKZDBVDAAHBMQ-OCCSQVGLSA-N 1 2 337.345 3.917 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)s1 ZINC000894187229 1019095949 /nfs/dbraw/zinc/09/59/49/1019095949.db2.gz POBIHQSLYIANOE-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO O=C(N1CC[NH+](Cc2ccsc2)CC1)C1(c2ccccc2)CCC1 ZINC000052633360 1019130335 /nfs/dbraw/zinc/13/03/35/1019130335.db2.gz RTRRXJHCCUEBHL-UHFFFAOYSA-N 1 2 340.492 3.514 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2[nH]ccc21 ZINC000729039064 1019165059 /nfs/dbraw/zinc/16/50/59/1019165059.db2.gz OYQHCGTXAHNELR-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)on1 ZINC000070812333 1019230182 /nfs/dbraw/zinc/23/01/82/1019230182.db2.gz AUNWOTMAVXBFNU-UHFFFAOYSA-N 1 2 330.775 3.889 20 0 EHADLO COc1ccccc1C[N@H+](Cn1nccc1-c1ccncc1)C1CC1 ZINC000729265115 1019255286 /nfs/dbraw/zinc/25/52/86/1019255286.db2.gz ZPBMSRXUTACNHH-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO COc1ccccc1C[N@@H+](Cn1nccc1-c1ccncc1)C1CC1 ZINC000729265115 1019255297 /nfs/dbraw/zinc/25/52/97/1019255297.db2.gz ZPBMSRXUTACNHH-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000683927841 1019300127 /nfs/dbraw/zinc/30/01/27/1019300127.db2.gz OEECZUHJPZDMIY-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)cn2)C(C)(C)C)c(OC)c1 ZINC000340685639 1019311528 /nfs/dbraw/zinc/31/15/28/1019311528.db2.gz CFIKNNCZDTYCCQ-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)cn2)C(C)(C)C)c(OC)c1 ZINC000340685639 1019311543 /nfs/dbraw/zinc/31/15/43/1019311543.db2.gz CFIKNNCZDTYCCQ-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1F ZINC000052926404 1019315546 /nfs/dbraw/zinc/31/55/46/1019315546.db2.gz UVERKMDKGSSMJX-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CC[S@@]1=O ZINC000449571671 1032824847 /nfs/dbraw/zinc/82/48/47/1032824847.db2.gz KYTPABMZOQGWPG-QHCPKHFHSA-N 1 2 335.444 3.819 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CC[S@@]1=O ZINC000449571671 1032824862 /nfs/dbraw/zinc/82/48/62/1032824862.db2.gz KYTPABMZOQGWPG-QHCPKHFHSA-N 1 2 335.444 3.819 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000047533685 1019335196 /nfs/dbraw/zinc/33/51/96/1019335196.db2.gz YOVSVHYPERYHCC-CLFYSBASSA-N 1 2 349.390 3.541 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1 ZINC000078364336 1019369790 /nfs/dbraw/zinc/36/97/90/1019369790.db2.gz NOWUYVYTLBGHFQ-DLBZAZTESA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cnc(C[NH2+]C2(c3cccc(Br)c3)CCC2)nc1 ZINC000340692617 1019398084 /nfs/dbraw/zinc/39/80/84/1019398084.db2.gz ZLBIUMVYIQEPAU-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ncccn1)CCS2 ZINC000580466712 1019415537 /nfs/dbraw/zinc/41/55/37/1019415537.db2.gz JUXLGHMORQMSHC-GFCCVEGCSA-N 1 2 336.258 3.566 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cnnn2Cc2ccccc2)C2CC2)c1 ZINC000430004965 1019454526 /nfs/dbraw/zinc/45/45/26/1019454526.db2.gz GXAOKJDJNXTPNV-UHFFFAOYSA-N 1 2 336.414 3.630 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)C2CC2)c1 ZINC000430004965 1019454535 /nfs/dbraw/zinc/45/45/35/1019454535.db2.gz GXAOKJDJNXTPNV-UHFFFAOYSA-N 1 2 336.414 3.630 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000433628750 1019466419 /nfs/dbraw/zinc/46/64/19/1019466419.db2.gz PEQZWGZFOSJWQY-MRXNPFEDSA-N 1 2 328.485 3.983 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000433628750 1019466427 /nfs/dbraw/zinc/46/64/27/1019466427.db2.gz PEQZWGZFOSJWQY-MRXNPFEDSA-N 1 2 328.485 3.983 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(C)c(F)c2)c1C ZINC000050254112 1019471344 /nfs/dbraw/zinc/47/13/44/1019471344.db2.gz SSCKNQJITRKEFY-UHFFFAOYSA-N 1 2 333.432 3.641 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246558253 1019485594 /nfs/dbraw/zinc/48/55/94/1019485594.db2.gz RDOOPZJMWLSMNH-BFUOFWGJSA-N 1 2 339.464 3.962 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246558253 1019485603 /nfs/dbraw/zinc/48/56/03/1019485603.db2.gz RDOOPZJMWLSMNH-BFUOFWGJSA-N 1 2 339.464 3.962 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000510332016 1019532593 /nfs/dbraw/zinc/53/25/93/1019532593.db2.gz OCVYFGWYMBICAU-BVIKNXMNSA-N 1 2 329.488 3.580 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCc2sccc21 ZINC000433761846 1019589843 /nfs/dbraw/zinc/58/98/43/1019589843.db2.gz HBOQCXSDCVMDNO-KRWDZBQOSA-N 1 2 337.448 3.670 20 0 EHADLO CCCOc1ccc([C@@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000433785607 1019615229 /nfs/dbraw/zinc/61/52/29/1019615229.db2.gz SOPQMPYGQRUDEO-GFCCVEGCSA-N 1 2 340.427 3.659 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2CNc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433785706 1019616207 /nfs/dbraw/zinc/61/62/07/1019616207.db2.gz JYUVJZUBTVFHPL-FUHWJXTLSA-N 1 2 336.439 3.576 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000647129472 1019686893 /nfs/dbraw/zinc/68/68/93/1019686893.db2.gz FTVFAQNBOWJFHU-CQSZACIVSA-N 1 2 337.345 3.746 20 0 EHADLO COC(=O)[C@@H]([NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513458042 1019695701 /nfs/dbraw/zinc/69/57/01/1019695701.db2.gz NAOGFLNBJSHJGD-AWEZNQCLSA-N 1 2 329.362 3.524 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000255631749 1019735681 /nfs/dbraw/zinc/73/56/81/1019735681.db2.gz KTOUFGCAKALBMF-ALCCZGGFSA-N 1 2 347.871 3.595 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469107845 1019750447 /nfs/dbraw/zinc/75/04/47/1019750447.db2.gz UTPIBODLBLFEHL-OAHLLOKOSA-N 1 2 331.504 3.998 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000291830655 1019840207 /nfs/dbraw/zinc/84/02/07/1019840207.db2.gz IQULUTMKKUXBQU-QGZVFWFLSA-N 1 2 346.862 3.804 20 0 EHADLO c1ccc(NC[C@H]2CCc3ccccc3C2)c(C[NH+]2CCOCC2)c1 ZINC000513640751 1019899313 /nfs/dbraw/zinc/89/93/13/1019899313.db2.gz ROPDNGBZFOYWMO-SFHVURJKSA-N 1 2 336.479 3.736 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC(C)(C)C1 ZINC000580720282 1019906761 /nfs/dbraw/zinc/90/67/61/1019906761.db2.gz BGUZOLPXMKRXSV-HOCLYGCPSA-N 1 2 326.444 3.727 20 0 EHADLO Cc1cccc(OCCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000340782898 1019980904 /nfs/dbraw/zinc/98/09/04/1019980904.db2.gz SGGWQBACRZZWBY-UHFFFAOYSA-N 1 2 345.406 3.615 20 0 EHADLO COc1ccccc1-c1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC001125473479 1020015808 /nfs/dbraw/zinc/01/58/08/1020015808.db2.gz HNAVZEOBMOTJOV-UHFFFAOYSA-N 1 2 337.379 3.923 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(Br)cn2)sc1C ZINC000280062181 1020020055 /nfs/dbraw/zinc/02/00/55/1020020055.db2.gz KLFMATXCNZIZMH-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2csnn2)cc1 ZINC000580805824 1020038445 /nfs/dbraw/zinc/03/84/45/1020038445.db2.gz IYPXJUTUERIHTM-SFHVURJKSA-N 1 2 325.437 3.620 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000280087855 1020048322 /nfs/dbraw/zinc/04/83/22/1020048322.db2.gz RVJMWCQBMFPLSH-WMZOPIPTSA-N 1 2 345.464 3.501 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000280087855 1020048334 /nfs/dbraw/zinc/04/83/34/1020048334.db2.gz RVJMWCQBMFPLSH-WMZOPIPTSA-N 1 2 345.464 3.501 20 0 EHADLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)on1 ZINC000602425343 1032874247 /nfs/dbraw/zinc/87/42/47/1032874247.db2.gz QOEABWBQOGOBAR-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)on1 ZINC000602425343 1032874264 /nfs/dbraw/zinc/87/42/64/1032874264.db2.gz QOEABWBQOGOBAR-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000345247349 1020095949 /nfs/dbraw/zinc/09/59/49/1020095949.db2.gz SAEDWEHSWBCVCR-ZJUUUORDSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000345247349 1020095965 /nfs/dbraw/zinc/09/59/65/1020095965.db2.gz SAEDWEHSWBCVCR-ZJUUUORDSA-N 1 2 344.274 3.504 20 0 EHADLO O=C(Nc1nccs1)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000345286287 1020114367 /nfs/dbraw/zinc/11/43/67/1020114367.db2.gz YOSXFHWWSSNBSA-UHFFFAOYSA-N 1 2 349.419 3.655 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111034 1032876611 /nfs/dbraw/zinc/87/66/11/1032876611.db2.gz COGVFVAHXUXXJN-AAEUAGOBSA-N 1 2 346.254 3.788 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111034 1032876622 /nfs/dbraw/zinc/87/66/22/1032876622.db2.gz COGVFVAHXUXXJN-AAEUAGOBSA-N 1 2 346.254 3.788 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccnc(Oc2ccccc2)c1 ZINC000345369547 1020192732 /nfs/dbraw/zinc/19/27/32/1020192732.db2.gz YKUZHLYMCJEUQQ-UHFFFAOYSA-N 1 2 349.394 3.503 20 0 EHADLO Cc1cc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc(C)c1F ZINC001143384131 1020220140 /nfs/dbraw/zinc/22/01/40/1020220140.db2.gz GINUBGCUIIIZHA-QGZVFWFLSA-N 1 2 340.442 3.789 20 0 EHADLO Cc1cc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc(C)c1F ZINC001143384131 1020220151 /nfs/dbraw/zinc/22/01/51/1020220151.db2.gz GINUBGCUIIIZHA-QGZVFWFLSA-N 1 2 340.442 3.789 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1)[NH+]1CCOCC1 ZINC000345386567 1020220163 /nfs/dbraw/zinc/22/01/63/1020220163.db2.gz WULVKKCBAAQWPC-CQSZACIVSA-N 1 2 330.472 3.701 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000528833535 1032885532 /nfs/dbraw/zinc/88/55/32/1032885532.db2.gz YQNSFGPFHSGTJF-UWVGGRQHSA-N 1 2 339.773 3.691 20 0 EHADLO Cc1cc(-c2noc(C[N@H+](Cc3cccnc3)C(C)C)n2)ccc1F ZINC000093224817 1032885941 /nfs/dbraw/zinc/88/59/41/1032885941.db2.gz SVGPLUBGBNLLPO-UHFFFAOYSA-N 1 2 340.402 3.990 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+](Cc3cccnc3)C(C)C)n2)ccc1F ZINC000093224817 1032885956 /nfs/dbraw/zinc/88/59/56/1032885956.db2.gz SVGPLUBGBNLLPO-UHFFFAOYSA-N 1 2 340.402 3.990 20 0 EHADLO CCS[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000345449164 1020263755 /nfs/dbraw/zinc/26/37/55/1020263755.db2.gz OKGNTPKLMCNWRY-QGZVFWFLSA-N 1 2 349.544 3.703 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345476268 1020288195 /nfs/dbraw/zinc/28/81/95/1020288195.db2.gz CXSAKRHSBDEHMG-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000345483336 1020294705 /nfs/dbraw/zinc/29/47/05/1020294705.db2.gz VILIUBNYTWDKQF-RBUKOAKNSA-N 1 2 339.439 3.786 20 0 EHADLO O=C(Nc1ccccc1-c1ncco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001167440520 1020318834 /nfs/dbraw/zinc/31/88/34/1020318834.db2.gz WEISRAFEMDYQCV-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280363065 1020322516 /nfs/dbraw/zinc/32/25/16/1020322516.db2.gz JVEMCPZKKUGFSI-KSSFIOAISA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280363065 1020322522 /nfs/dbraw/zinc/32/25/22/1020322522.db2.gz JVEMCPZKKUGFSI-KSSFIOAISA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280363067 1020323387 /nfs/dbraw/zinc/32/33/87/1020323387.db2.gz JVEMCPZKKUGFSI-RDTXWAMCSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280363067 1020323397 /nfs/dbraw/zinc/32/33/97/1020323397.db2.gz JVEMCPZKKUGFSI-RDTXWAMCSA-N 1 2 339.863 3.507 20 0 EHADLO Cc1ncc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)s1 ZINC000345536091 1020332215 /nfs/dbraw/zinc/33/22/15/1020332215.db2.gz HVUYHAZCVKGZKQ-UHFFFAOYSA-N 1 2 339.867 3.562 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000345593725 1020381327 /nfs/dbraw/zinc/38/13/27/1020381327.db2.gz HMTJEXBAFBJDKJ-IKGGRYGDSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000345593728 1020381614 /nfs/dbraw/zinc/38/16/14/1020381614.db2.gz HMTJEXBAFBJDKJ-IXDOHACOSA-N 1 2 330.472 3.845 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000345605681 1020398311 /nfs/dbraw/zinc/39/83/11/1020398311.db2.gz BNTQJTGVXWKKMX-FQEVSTJZSA-N 1 2 331.419 3.682 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC000340876873 1020527997 /nfs/dbraw/zinc/52/79/97/1020527997.db2.gz BPLGUFARXBTJPM-KRWDZBQOSA-N 1 2 343.492 3.606 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC000340876873 1020528007 /nfs/dbraw/zinc/52/80/07/1020528007.db2.gz BPLGUFARXBTJPM-KRWDZBQOSA-N 1 2 343.492 3.606 20 0 EHADLO CCCC[C@@H](CC)COCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001168111416 1032909004 /nfs/dbraw/zinc/90/90/04/1032909004.db2.gz GYASWZZBHNHDAJ-GOSISDBHSA-N 1 2 349.519 3.953 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@@]1=O ZINC000581228665 1020554131 /nfs/dbraw/zinc/55/41/31/1020554131.db2.gz ZENQZQXEIOYBDJ-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@@]1=O ZINC000581228665 1020554137 /nfs/dbraw/zinc/55/41/37/1020554137.db2.gz ZENQZQXEIOYBDJ-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000581244600 1020579431 /nfs/dbraw/zinc/57/94/31/1020579431.db2.gz HZDULRSWZHKDFA-SNVBAGLBSA-N 1 2 326.227 3.990 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000581244600 1020579437 /nfs/dbraw/zinc/57/94/37/1020579437.db2.gz HZDULRSWZHKDFA-SNVBAGLBSA-N 1 2 326.227 3.990 20 0 EHADLO C[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000345935771 1020622920 /nfs/dbraw/zinc/62/29/20/1020622920.db2.gz DYMVWWGOHAXCNJ-KXBFYZLASA-N 1 2 334.423 3.602 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cc(Cl)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000345957627 1020630412 /nfs/dbraw/zinc/63/04/12/1020630412.db2.gz CAFZGGSADNZOPW-WFASDCNBSA-N 1 2 337.876 3.640 20 0 EHADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419445091 1020657091 /nfs/dbraw/zinc/65/70/91/1020657091.db2.gz UMPRVBDLKLCPKS-SJORKVTESA-N 1 2 346.519 3.618 20 0 EHADLO CCc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cn1 ZINC000414413110 1020680181 /nfs/dbraw/zinc/68/01/81/1020680181.db2.gz RPZDLZWVHHRJKL-OAHLLOKOSA-N 1 2 331.847 3.736 20 0 EHADLO CCc1ncc(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cn1 ZINC000414413110 1020680187 /nfs/dbraw/zinc/68/01/87/1020680187.db2.gz RPZDLZWVHHRJKL-OAHLLOKOSA-N 1 2 331.847 3.736 20 0 EHADLO CC1(C)CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]2CCC[C@@H]21 ZINC000581352720 1020730731 /nfs/dbraw/zinc/73/07/31/1020730731.db2.gz JIKMIAGWIBZXSQ-ROUUACIJSA-N 1 2 338.455 3.592 20 0 EHADLO CC1(C)CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]2CCC[C@H]21 ZINC000581352718 1020731414 /nfs/dbraw/zinc/73/14/14/1020731414.db2.gz JIKMIAGWIBZXSQ-MSOLQXFVSA-N 1 2 338.455 3.592 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cccc(COC)c1)[C@H](C)c1ccccc1 ZINC000537467238 1032925681 /nfs/dbraw/zinc/92/56/81/1032925681.db2.gz ODECVVWVSSKFRA-QGZVFWFLSA-N 1 2 341.451 3.959 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cccc(COC)c1)[C@H](C)c1ccccc1 ZINC000537467238 1032925692 /nfs/dbraw/zinc/92/56/92/1032925692.db2.gz ODECVVWVSSKFRA-QGZVFWFLSA-N 1 2 341.451 3.959 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000187403661 1020800620 /nfs/dbraw/zinc/80/06/20/1020800620.db2.gz JGPQHHHOGSXXFJ-UXHICEINSA-N 1 2 340.467 3.585 20 0 EHADLO COc1ccc([C@H](C)C[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC000188485177 1020807555 /nfs/dbraw/zinc/80/75/55/1020807555.db2.gz HTIFFANWVIMFJC-HUUCEWRRSA-N 1 2 328.460 3.590 20 0 EHADLO COc1ccc([C@H](C)C[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC000188485177 1020807560 /nfs/dbraw/zinc/80/75/60/1020807560.db2.gz HTIFFANWVIMFJC-HUUCEWRRSA-N 1 2 328.460 3.590 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138334 1021001538 /nfs/dbraw/zinc/00/15/38/1021001538.db2.gz OJGGPNYUBKYYGQ-ZANVPECISA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138334 1021001542 /nfs/dbraw/zinc/00/15/42/1021001542.db2.gz OJGGPNYUBKYYGQ-ZANVPECISA-N 1 2 333.295 3.541 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000341178127 1021049171 /nfs/dbraw/zinc/04/91/71/1021049171.db2.gz KVVGHSDCSGZXKN-IBGZPJMESA-N 1 2 326.444 3.594 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760434499 1032951839 /nfs/dbraw/zinc/95/18/39/1032951839.db2.gz XUPUOXZNJHINNQ-NVXWUHKLSA-N 1 2 335.492 3.542 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000449647725 1032953835 /nfs/dbraw/zinc/95/38/35/1032953835.db2.gz QSAMOKHMHVDJDO-CHWSQXEVSA-N 1 2 344.842 3.502 20 0 EHADLO Cc1ccc(-c2cnc(CO[NH+]=C(N)Cc3cccs3)o2)cc1 ZINC000760438163 1032953852 /nfs/dbraw/zinc/95/38/52/1032953852.db2.gz IKKYDUXOZJLNNK-UHFFFAOYSA-N 1 2 327.409 3.953 20 0 EHADLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001204566298 1021111305 /nfs/dbraw/zinc/11/13/05/1021111305.db2.gz CMISLBKDINFHGY-AWEZNQCLSA-N 1 2 344.286 3.665 20 0 EHADLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001204566298 1021111309 /nfs/dbraw/zinc/11/13/09/1021111309.db2.gz CMISLBKDINFHGY-AWEZNQCLSA-N 1 2 344.286 3.665 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)OCCO2 ZINC000090228751 1021119022 /nfs/dbraw/zinc/11/90/22/1021119022.db2.gz ZYWVHZPUNGLZDP-SECBINFHSA-N 1 2 341.304 3.865 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000341225531 1021129502 /nfs/dbraw/zinc/12/95/02/1021129502.db2.gz ZQWVQANFYPLLMR-SNVBAGLBSA-N 1 2 327.302 3.936 20 0 EHADLO CC(C)c1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000341233237 1021141346 /nfs/dbraw/zinc/14/13/46/1021141346.db2.gz AHAGYHLVPNILOB-UHFFFAOYSA-N 1 2 340.471 3.734 20 0 EHADLO Cc1scc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000341234900 1021147032 /nfs/dbraw/zinc/14/70/32/1021147032.db2.gz FTJUQVOXBWAMOM-UHFFFAOYSA-N 1 2 331.485 3.894 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1)c1cc2ccccc2o1 ZINC000656682183 1021163397 /nfs/dbraw/zinc/16/33/97/1021163397.db2.gz QUUNWGWFEUEMOY-UPJWGTAASA-N 1 2 343.452 3.806 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688134 1021174619 /nfs/dbraw/zinc/17/46/19/1021174619.db2.gz IXJACVZSBIEGAA-UHFFFAOYSA-N 1 2 329.391 3.966 20 0 EHADLO Cc1c[nH+]c(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)n1C ZINC000341258227 1021207541 /nfs/dbraw/zinc/20/75/41/1021207541.db2.gz HMJGDFHDMLRPOM-UHFFFAOYSA-N 1 2 335.333 3.545 20 0 EHADLO O=C(CSC(F)F)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000295961870 1021222611 /nfs/dbraw/zinc/22/26/11/1021222611.db2.gz GHTOZGXPTXYSJJ-UHFFFAOYSA-N 1 2 338.379 3.748 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCC[C@@H]1F ZINC000516249814 1021229112 /nfs/dbraw/zinc/22/91/12/1021229112.db2.gz UCQCZERIPNGCJN-DLBZAZTESA-N 1 2 342.418 3.899 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000516253185 1021232498 /nfs/dbraw/zinc/23/24/98/1021232498.db2.gz UNWWIYPKVROZBQ-WOJBJXKFSA-N 1 2 347.462 3.980 20 0 EHADLO Cc1nnsc1C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000426314108 1021245934 /nfs/dbraw/zinc/24/59/34/1021245934.db2.gz WIILNSKSWRYTOO-KRWDZBQOSA-N 1 2 328.416 3.568 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341273787 1021266699 /nfs/dbraw/zinc/26/66/99/1021266699.db2.gz JWKGNVPAYPGNAQ-KRWDZBQOSA-N 1 2 344.434 3.779 20 0 EHADLO CC[C@H]1C[C@@]1(NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C)c1 ZINC000507498674 1021298688 /nfs/dbraw/zinc/29/86/88/1021298688.db2.gz QZEODUGQMXWSGR-UWJYYQICSA-N 1 2 348.450 3.767 20 0 EHADLO CCc1nocc1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507534232 1021323122 /nfs/dbraw/zinc/32/31/22/1021323122.db2.gz POAJSXPFCCZJGX-JKSUJKDBSA-N 1 2 341.238 3.634 20 0 EHADLO CCc1nocc1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507534232 1021323139 /nfs/dbraw/zinc/32/31/39/1021323139.db2.gz POAJSXPFCCZJGX-JKSUJKDBSA-N 1 2 341.238 3.634 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000505896842 1021326830 /nfs/dbraw/zinc/32/68/30/1021326830.db2.gz WJXZTBABJSILSW-INIZCTEOSA-N 1 2 329.444 3.559 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000505896842 1021326840 /nfs/dbraw/zinc/32/68/40/1021326840.db2.gz WJXZTBABJSILSW-INIZCTEOSA-N 1 2 329.444 3.559 20 0 EHADLO COc1cc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)ccc1O ZINC000436879894 1021329916 /nfs/dbraw/zinc/32/99/16/1021329916.db2.gz YLBOPFCFNMQBTN-UHFFFAOYSA-N 1 2 348.362 3.612 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(O)c1C ZINC000436900100 1021363594 /nfs/dbraw/zinc/36/35/94/1021363594.db2.gz GQYVOLZZQYXXCG-UHFFFAOYSA-N 1 2 346.390 3.971 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143579229 1021369144 /nfs/dbraw/zinc/36/91/44/1021369144.db2.gz JPSADRUKMWOKQY-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143579229 1021369160 /nfs/dbraw/zinc/36/91/60/1021369160.db2.gz JPSADRUKMWOKQY-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000516387960 1021380525 /nfs/dbraw/zinc/38/05/25/1021380525.db2.gz LMUXEFIANSATNR-IEBWSBKVSA-N 1 2 339.483 3.807 20 0 EHADLO Fc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC001204568371 1021409491 /nfs/dbraw/zinc/40/94/91/1021409491.db2.gz ZYEQFMBNGZMLOL-ZDUSSCGKSA-N 1 2 342.201 3.576 20 0 EHADLO Fc1cnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC001204568371 1021409496 /nfs/dbraw/zinc/40/94/96/1021409496.db2.gz ZYEQFMBNGZMLOL-ZDUSSCGKSA-N 1 2 342.201 3.576 20 0 EHADLO CCC[N@@H+](Cc1ncc(Br)s1)C[C@@H]1CCCCO1 ZINC000341322267 1021423750 /nfs/dbraw/zinc/42/37/50/1021423750.db2.gz YLNUETVRLNURGH-NSHDSACASA-N 1 2 333.295 3.687 20 0 EHADLO CCC[N@H+](Cc1ncc(Br)s1)C[C@@H]1CCCCO1 ZINC000341322267 1021423755 /nfs/dbraw/zinc/42/37/55/1021423755.db2.gz YLNUETVRLNURGH-NSHDSACASA-N 1 2 333.295 3.687 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345999831 1021492398 /nfs/dbraw/zinc/49/23/98/1021492398.db2.gz YPRNNVDRXYBVRH-DOTOQJQBSA-N 1 2 343.496 3.653 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346000598 1021492414 /nfs/dbraw/zinc/49/24/14/1021492414.db2.gz YPRNNVDRXYBVRH-WBVHZDCISA-N 1 2 343.496 3.653 20 0 EHADLO CC[C@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000078026984 1021504201 /nfs/dbraw/zinc/50/42/01/1021504201.db2.gz MRHFSCXLANCMAJ-GOSISDBHSA-N 1 2 337.467 3.623 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)c1 ZINC000550299954 1021520193 /nfs/dbraw/zinc/52/01/93/1021520193.db2.gz NJQZYIYABZPRBC-INIZCTEOSA-N 1 2 346.515 3.973 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000509609765 1021553703 /nfs/dbraw/zinc/55/37/03/1021553703.db2.gz SFMYBBQNYCIDES-CKXPSTMWSA-N 1 2 339.468 3.887 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCCC4)CC2)s1 ZINC000473879757 1021559028 /nfs/dbraw/zinc/55/90/28/1021559028.db2.gz WAEADCQXFBIRDK-KRWDZBQOSA-N 1 2 332.513 3.535 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1cn(-c2ccccc2)nn1 ZINC000760477071 1032989724 /nfs/dbraw/zinc/98/97/24/1032989724.db2.gz DPTNCTHIGDPPHE-INIZCTEOSA-N 1 2 348.450 3.907 20 0 EHADLO Cc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)nc(C2CCC2)[nH+]1 ZINC000894385395 1021592493 /nfs/dbraw/zinc/59/24/93/1021592493.db2.gz PEDVYLLWUINUPR-UHFFFAOYSA-N 1 2 329.341 3.923 20 0 EHADLO CC(C)(C)c1ccc(-c2csc(NC(=O)[C@@H]3CSC[NH2+]3)n2)cc1 ZINC000506632957 1021600122 /nfs/dbraw/zinc/60/01/22/1021600122.db2.gz VSCGNWFVTOZFAC-AWEZNQCLSA-N 1 2 347.509 3.709 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440541655 1021600130 /nfs/dbraw/zinc/60/01/30/1021600130.db2.gz WYGOAHSKRGGSDX-WTANOLMUSA-N 1 2 349.496 3.704 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440541655 1021600140 /nfs/dbraw/zinc/60/01/40/1021600140.db2.gz WYGOAHSKRGGSDX-WTANOLMUSA-N 1 2 349.496 3.704 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1)CC(F)F ZINC000437162648 1021618616 /nfs/dbraw/zinc/61/86/16/1021618616.db2.gz JKRZSYAIUNRASY-UHFFFAOYSA-N 1 2 341.361 3.780 20 0 EHADLO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cccc(=O)[nH]1 ZINC000933397891 1021654112 /nfs/dbraw/zinc/65/41/12/1021654112.db2.gz FDHAUCIDMTZNPO-UHFFFAOYSA-N 1 2 337.301 3.579 20 0 EHADLO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cccc(=O)[nH]1 ZINC000933397891 1021654121 /nfs/dbraw/zinc/65/41/21/1021654121.db2.gz FDHAUCIDMTZNPO-UHFFFAOYSA-N 1 2 337.301 3.579 20 0 EHADLO Clc1ncc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000079333751 1021660413 /nfs/dbraw/zinc/66/04/13/1021660413.db2.gz YURBGGYPWWOXRO-UHFFFAOYSA-N 1 2 330.844 3.962 20 0 EHADLO Clc1ncc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000079333751 1021660421 /nfs/dbraw/zinc/66/04/21/1021660421.db2.gz YURBGGYPWWOXRO-UHFFFAOYSA-N 1 2 330.844 3.962 20 0 EHADLO CSCc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000130107116 1021674320 /nfs/dbraw/zinc/67/43/20/1021674320.db2.gz CWEQMVSMJGFHQE-RHSMWYFYSA-N 1 2 344.484 3.861 20 0 EHADLO CC(C)(C)c1ccncc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000519811712 1021698702 /nfs/dbraw/zinc/69/87/02/1021698702.db2.gz OOYARLJCUGHMDV-QGZVFWFLSA-N 1 2 327.476 3.908 20 0 EHADLO COc1cccc2c(N[C@H](C)c3ccc(-n4ccnn4)cc3)cc[nH+]c12 ZINC000440657323 1021703796 /nfs/dbraw/zinc/70/37/96/1021703796.db2.gz FMOVOSGXEOPANA-CQSZACIVSA-N 1 2 345.406 3.997 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)s2)c1 ZINC000346003010 1021705466 /nfs/dbraw/zinc/70/54/66/1021705466.db2.gz XOAJLNACKZSBPR-OAHLLOKOSA-N 1 2 327.453 3.684 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)s2)c1 ZINC000346003010 1021705478 /nfs/dbraw/zinc/70/54/78/1021705478.db2.gz XOAJLNACKZSBPR-OAHLLOKOSA-N 1 2 327.453 3.684 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000519830283 1021707548 /nfs/dbraw/zinc/70/75/48/1021707548.db2.gz YSACNACMXNLBND-BRWVUGGUSA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000506031664 1021748094 /nfs/dbraw/zinc/74/80/94/1021748094.db2.gz RNPXHHLYAFMTJZ-UHFFFAOYSA-N 1 2 348.393 3.714 20 0 EHADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000506031664 1021748110 /nfs/dbraw/zinc/74/81/10/1021748110.db2.gz RNPXHHLYAFMTJZ-UHFFFAOYSA-N 1 2 348.393 3.714 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)c1cc(F)ccc1F)CC3 ZINC000729480460 1021770994 /nfs/dbraw/zinc/77/09/94/1021770994.db2.gz AJKGFVMHGWWHDX-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)c1cc(F)ccc1F)CC3 ZINC000729480460 1021771008 /nfs/dbraw/zinc/77/10/08/1021771008.db2.gz AJKGFVMHGWWHDX-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440821212 1021792000 /nfs/dbraw/zinc/79/20/00/1021792000.db2.gz AAXZIRUMOVRCFA-KVSKMBFKSA-N 1 2 342.487 3.975 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3cc(Br)ccc32)c(C)c[nH+]1 ZINC000516868258 1021800791 /nfs/dbraw/zinc/80/07/91/1021800791.db2.gz ATUZZRHOYXZQDQ-HNNXBMFYSA-N 1 2 345.240 3.551 20 0 EHADLO FC(F)(F)C1C[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000894892102 1021828815 /nfs/dbraw/zinc/82/88/15/1021828815.db2.gz JRRFVAKQRZCISV-UHFFFAOYSA-N 1 2 348.162 3.719 20 0 EHADLO COc1ccc(C[C@@H](C)CN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001266827505 1021930148 /nfs/dbraw/zinc/93/01/48/1021930148.db2.gz APQDWWUWAVXYBQ-CQSZACIVSA-N 1 2 340.467 3.966 20 0 EHADLO C[NH+](C)[C@@H](c1nc(C(F)(F)c2ccc(F)cc2)no1)c1ccccc1 ZINC000516996282 1021931646 /nfs/dbraw/zinc/93/16/46/1021931646.db2.gz NOZJMWKACISKJZ-OAHLLOKOSA-N 1 2 347.340 4.000 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441019855 1021933527 /nfs/dbraw/zinc/93/35/27/1021933527.db2.gz LSBLRHMMNVMBQA-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441019855 1021933535 /nfs/dbraw/zinc/93/35/35/1021933535.db2.gz LSBLRHMMNVMBQA-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574951 1021959210 /nfs/dbraw/zinc/95/92/10/1021959210.db2.gz GYDBZGPFQPDPHH-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574951 1021959216 /nfs/dbraw/zinc/95/92/16/1021959216.db2.gz GYDBZGPFQPDPHH-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(N3CCC3=O)cc2)n1-c1ccccc1 ZINC000341464120 1021983062 /nfs/dbraw/zinc/98/30/62/1021983062.db2.gz PJAYVZUPBDQVOS-UHFFFAOYSA-N 1 2 332.407 3.530 20 0 EHADLO CCN(Cc1ccc(Cl)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000520191457 1022007235 /nfs/dbraw/zinc/00/72/35/1022007235.db2.gz HAFMSTRTSKMLCF-UHFFFAOYSA-N 1 2 334.851 3.548 20 0 EHADLO COc1c(Br)cccc1C[N@H+](C)Cc1c(C)noc1C ZINC000172925285 1033022517 /nfs/dbraw/zinc/02/25/17/1033022517.db2.gz VDDATOYIZKPDSW-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO COc1c(Br)cccc1C[N@@H+](C)Cc1c(C)noc1C ZINC000172925285 1033022531 /nfs/dbraw/zinc/02/25/31/1033022531.db2.gz VDDATOYIZKPDSW-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441168891 1022030513 /nfs/dbraw/zinc/03/05/13/1022030513.db2.gz OCQPNYFJYMPIJB-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441168891 1022030514 /nfs/dbraw/zinc/03/05/14/1022030514.db2.gz OCQPNYFJYMPIJB-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC000520224469 1022055653 /nfs/dbraw/zinc/05/56/53/1022055653.db2.gz HSCLWVCOBFYYOW-SWLSCSKDSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC000520224469 1022055662 /nfs/dbraw/zinc/05/56/62/1022055662.db2.gz HSCLWVCOBFYYOW-SWLSCSKDSA-N 1 2 336.501 3.820 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000341522279 1022057750 /nfs/dbraw/zinc/05/77/50/1022057750.db2.gz CKTACYKIQLGAQZ-UHFFFAOYSA-N 1 2 342.302 3.783 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000341522279 1022057766 /nfs/dbraw/zinc/05/77/66/1022057766.db2.gz CKTACYKIQLGAQZ-UHFFFAOYSA-N 1 2 342.302 3.783 20 0 EHADLO C[C@@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCc2ccccc21 ZINC000506104871 1022064550 /nfs/dbraw/zinc/06/45/50/1022064550.db2.gz JVDXQTVMJFJJTH-JOCHJYFZSA-N 1 2 345.446 3.913 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000517146610 1022070099 /nfs/dbraw/zinc/07/00/99/1022070099.db2.gz DNGLVXSOAMIGTO-IAGOWNOFSA-N 1 2 332.492 3.788 20 0 EHADLO Cc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(Cl)n1 ZINC000838932115 1022073637 /nfs/dbraw/zinc/07/36/37/1022073637.db2.gz DMLJDLFJKPMPMX-AWEZNQCLSA-N 1 2 336.785 3.569 20 0 EHADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccco1 ZINC000073618705 1022082966 /nfs/dbraw/zinc/08/29/66/1022082966.db2.gz QJQRNRDTTQGZKH-GFCCVEGCSA-N 1 2 338.810 3.551 20 0 EHADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccco1 ZINC000073618705 1022082982 /nfs/dbraw/zinc/08/29/82/1022082982.db2.gz QJQRNRDTTQGZKH-GFCCVEGCSA-N 1 2 338.810 3.551 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000517192422 1022117826 /nfs/dbraw/zinc/11/78/26/1022117826.db2.gz IPPRYVZKPYYVMY-UHFFFAOYSA-N 1 2 334.423 3.551 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2ccnc(Cl)c2Cl)c1 ZINC000290968961 1022144787 /nfs/dbraw/zinc/14/47/87/1022144787.db2.gz XCMJAVGAGOYESZ-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000607187854 1033031875 /nfs/dbraw/zinc/03/18/75/1033031875.db2.gz HFEJYTQOFUMWHV-JKSUJKDBSA-N 1 2 335.517 3.544 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000151268537 1022150990 /nfs/dbraw/zinc/15/09/90/1022150990.db2.gz JUHJRYYKSRVNQM-KRWDZBQOSA-N 1 2 333.435 3.773 20 0 EHADLO CCc1ccnc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000341537855 1022163323 /nfs/dbraw/zinc/16/33/23/1022163323.db2.gz VXTJDSROVKOYIE-HXUWFJFHSA-N 1 2 348.450 3.629 20 0 EHADLO COc1cc(F)c(F)cc1C[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC001143401983 1022165960 /nfs/dbraw/zinc/16/59/60/1022165960.db2.gz AWTQWIVORNFCMY-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@H]1C[N@H+](Cn2ncn(C3CC3)c2=S)CC[C@@H]1c1ccccc1 ZINC000172937086 1033035437 /nfs/dbraw/zinc/03/54/37/1033035437.db2.gz UULNOFRBCRXVRZ-YOEHRIQHSA-N 1 2 328.485 3.832 20 0 EHADLO C[C@H]1C[N@@H+](Cn2ncn(C3CC3)c2=S)CC[C@@H]1c1ccccc1 ZINC000172937086 1033035446 /nfs/dbraw/zinc/03/54/46/1033035446.db2.gz UULNOFRBCRXVRZ-YOEHRIQHSA-N 1 2 328.485 3.832 20 0 EHADLO CC(C)Cn1nccc1CNc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000647194718 1022195630 /nfs/dbraw/zinc/19/56/30/1022195630.db2.gz LKAZECQMIICJNE-UHFFFAOYSA-N 1 2 329.835 3.990 20 0 EHADLO Cc1cccc([C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000119415951 1033037788 /nfs/dbraw/zinc/03/77/88/1033037788.db2.gz HSJUPYHZMSTGLK-FUHWJXTLSA-N 1 2 325.456 3.658 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000894415200 1022235484 /nfs/dbraw/zinc/23/54/84/1022235484.db2.gz XIYZDEWTJOOEEG-OAHLLOKOSA-N 1 2 340.254 3.738 20 0 EHADLO COc1ccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1OC ZINC000923773004 1022290150 /nfs/dbraw/zinc/29/01/50/1022290150.db2.gz HHHBMLDCOQWNRU-AWEZNQCLSA-N 1 2 342.399 3.586 20 0 EHADLO Cc1cn([C@H](C)c2ccccc2)nc1NCc1c[nH+]c2c(C)cccn12 ZINC000471808113 1022309011 /nfs/dbraw/zinc/30/90/11/1022309011.db2.gz FLLVUUYJJZVTPN-QGZVFWFLSA-N 1 2 345.450 3.791 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000657038050 1022365033 /nfs/dbraw/zinc/36/50/33/1022365033.db2.gz QGTNTECEUCASPL-CYBMUJFWSA-N 1 2 342.468 3.711 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000519549784 1022376941 /nfs/dbraw/zinc/37/69/41/1022376941.db2.gz LMWNAKXOALBRKA-GOSISDBHSA-N 1 2 335.407 3.629 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528905990 1033049963 /nfs/dbraw/zinc/04/99/63/1033049963.db2.gz WWBZSDPQKSMWRH-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528905990 1033049977 /nfs/dbraw/zinc/04/99/77/1033049977.db2.gz WWBZSDPQKSMWRH-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000438126554 1022406331 /nfs/dbraw/zinc/40/63/31/1022406331.db2.gz YYFVJNPZZCHCSV-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000438126554 1022406337 /nfs/dbraw/zinc/40/63/37/1022406337.db2.gz YYFVJNPZZCHCSV-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO CCc1onc(C)c1CNC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000894515191 1022442060 /nfs/dbraw/zinc/44/20/60/1022442060.db2.gz SFVUBRZELWXDBH-LJQANCHMSA-N 1 2 345.487 3.725 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nsc(N(C)C)n1 ZINC000438165351 1022448842 /nfs/dbraw/zinc/44/88/42/1022448842.db2.gz CLACWHUHJFKBGB-MRXNPFEDSA-N 1 2 332.517 3.756 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nsc(N(C)C)n1 ZINC000438165351 1022448848 /nfs/dbraw/zinc/44/88/48/1022448848.db2.gz CLACWHUHJFKBGB-MRXNPFEDSA-N 1 2 332.517 3.756 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)n1 ZINC000328703634 1022472211 /nfs/dbraw/zinc/47/22/11/1022472211.db2.gz OHOPXIBJDIQIBY-YVEFUNNKSA-N 1 2 340.427 3.790 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cnccc1C(F)(F)F ZINC000664685070 1022506028 /nfs/dbraw/zinc/50/60/28/1022506028.db2.gz BDMCMDSUSHOWKV-UHFFFAOYSA-N 1 2 338.333 3.697 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)c2ccc(F)cc2)c1 ZINC000510501966 1022536166 /nfs/dbraw/zinc/53/61/66/1022536166.db2.gz PGFFHVMTMYACMY-OAHLLOKOSA-N 1 2 337.398 3.853 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cc(C)sc2C)c1C ZINC000051334330 1022549587 /nfs/dbraw/zinc/54/95/87/1022549587.db2.gz NBADEVLUHMQUNQ-CYBMUJFWSA-N 1 2 347.484 3.946 20 0 EHADLO CC(C)(C)CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425977006 1022552405 /nfs/dbraw/zinc/55/24/05/1022552405.db2.gz IUQLIARFOJTSMD-ROUUACIJSA-N 1 2 340.471 3.847 20 0 EHADLO CSC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000894563115 1022553354 /nfs/dbraw/zinc/55/33/54/1022553354.db2.gz LHYXZPUMSCCLCA-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3CCCC3)n2)C1 ZINC000145169332 1033065258 /nfs/dbraw/zinc/06/52/58/1033065258.db2.gz JBZXNFZRJCQGLB-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3CCCC3)n2)C1 ZINC000145169332 1033065274 /nfs/dbraw/zinc/06/52/74/1033065274.db2.gz JBZXNFZRJCQGLB-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834457 1022604469 /nfs/dbraw/zinc/60/44/69/1022604469.db2.gz ZFIAVVKSMXKIEJ-QFBILLFUSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834457 1022604470 /nfs/dbraw/zinc/60/44/70/1022604470.db2.gz ZFIAVVKSMXKIEJ-QFBILLFUSA-N 1 2 337.467 3.512 20 0 EHADLO CCN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1CCCCC1 ZINC000664835770 1022611833 /nfs/dbraw/zinc/61/18/33/1022611833.db2.gz GWBFKEQKBIUXOJ-IBGZPJMESA-N 1 2 329.488 3.646 20 0 EHADLO CCN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1CCCCC1 ZINC000664835770 1022611838 /nfs/dbraw/zinc/61/18/38/1022611838.db2.gz GWBFKEQKBIUXOJ-IBGZPJMESA-N 1 2 329.488 3.646 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835384 1022627708 /nfs/dbraw/zinc/62/77/08/1022627708.db2.gz FBYROSOOIMDRBY-UZLBHIALSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835384 1022627721 /nfs/dbraw/zinc/62/77/21/1022627721.db2.gz FBYROSOOIMDRBY-UZLBHIALSA-N 1 2 349.478 3.832 20 0 EHADLO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000430747774 1022646768 /nfs/dbraw/zinc/64/67/68/1022646768.db2.gz ZBWOPKJKWQNAOK-ZMSDIMECSA-N 1 2 328.460 3.688 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430763034 1022666621 /nfs/dbraw/zinc/66/66/21/1022666621.db2.gz OIRAFANNRGSHQO-JMSVASOKSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430763034 1022666624 /nfs/dbraw/zinc/66/66/24/1022666624.db2.gz OIRAFANNRGSHQO-JMSVASOKSA-N 1 2 349.418 3.925 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007509 1022668668 /nfs/dbraw/zinc/66/86/68/1022668668.db2.gz WXMUUUPLKMTADX-HOCLYGCPSA-N 1 2 329.444 3.719 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007509 1022668674 /nfs/dbraw/zinc/66/86/74/1022668674.db2.gz WXMUUUPLKMTADX-HOCLYGCPSA-N 1 2 329.444 3.719 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)C3(C)CC3)cn2c1 ZINC000438468871 1022696356 /nfs/dbraw/zinc/69/63/56/1022696356.db2.gz YQWGVPUEUFJOFI-CQSZACIVSA-N 1 2 331.485 3.523 20 0 EHADLO C[C@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000729465560 1022733410 /nfs/dbraw/zinc/73/34/10/1022733410.db2.gz OCAPYSHQLWKZDJ-NSHDSACASA-N 1 2 338.224 3.751 20 0 EHADLO C[C@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000729465560 1022733416 /nfs/dbraw/zinc/73/34/16/1022733416.db2.gz OCAPYSHQLWKZDJ-NSHDSACASA-N 1 2 338.224 3.751 20 0 EHADLO CCSCc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000455861483 1033081382 /nfs/dbraw/zinc/08/13/82/1033081382.db2.gz NCHVNKGITNVMRY-UHFFFAOYSA-N 1 2 332.473 3.690 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[C@H]1C ZINC000517899896 1022806518 /nfs/dbraw/zinc/80/65/18/1022806518.db2.gz XHZGNTCIAFMUFW-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccco1 ZINC000008620050 1022814373 /nfs/dbraw/zinc/81/43/73/1022814373.db2.gz VSXGCVKAVYKXJI-UHFFFAOYSA-N 1 2 339.424 3.806 20 0 EHADLO COc1cc(CN(c2cc(C)[nH+]c(C3CC3)n2)C2CC2)ccc1O ZINC000188548567 1022824350 /nfs/dbraw/zinc/82/43/50/1022824350.db2.gz GEPCDEKUXPPHLO-UHFFFAOYSA-N 1 2 325.412 3.546 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)Cc2cncc3ccccc32)cc(C)[nH+]1 ZINC000517915782 1022830153 /nfs/dbraw/zinc/83/01/53/1022830153.db2.gz WYCSXZISZGGSDK-AWEZNQCLSA-N 1 2 333.435 3.742 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000894742887 1022839916 /nfs/dbraw/zinc/83/99/16/1022839916.db2.gz LXKWRJFWNSCVLB-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000894742887 1022839920 /nfs/dbraw/zinc/83/99/20/1022839920.db2.gz LXKWRJFWNSCVLB-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO CC1(C)CC[N@H+](Cc2cccc(Oc3ccccn3)c2)CC[S@]1=O ZINC000894742436 1022841108 /nfs/dbraw/zinc/84/11/08/1022841108.db2.gz DXDMCLQCLFDTEZ-XMMPIXPASA-N 1 2 344.480 3.607 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)CC[S@]1=O ZINC000894742436 1022841120 /nfs/dbraw/zinc/84/11/20/1022841120.db2.gz DXDMCLQCLFDTEZ-XMMPIXPASA-N 1 2 344.480 3.607 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC000293632467 1022879377 /nfs/dbraw/zinc/87/93/77/1022879377.db2.gz WYFJJNUCISAUKJ-RDTXWAMCSA-N 1 2 330.403 3.521 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC000293632467 1022879393 /nfs/dbraw/zinc/87/93/93/1022879393.db2.gz WYFJJNUCISAUKJ-RDTXWAMCSA-N 1 2 330.403 3.521 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccnc1 ZINC000293764683 1022909385 /nfs/dbraw/zinc/90/93/85/1022909385.db2.gz NDOWLVAVPFXBIV-LJQANCHMSA-N 1 2 346.434 3.550 20 0 EHADLO COC(=O)[C@@H]1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000894812583 1022945845 /nfs/dbraw/zinc/94/58/45/1022945845.db2.gz CZEBMTSWFBNATK-QGZVFWFLSA-N 1 2 349.434 3.508 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000933768799 1022963072 /nfs/dbraw/zinc/96/30/72/1022963072.db2.gz VDDFFOCFWQYANV-INDMIFKZSA-N 1 2 337.467 3.646 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000933768802 1022963232 /nfs/dbraw/zinc/96/32/32/1022963232.db2.gz VDDFFOCFWQYANV-OKYOBFRVSA-N 1 2 337.467 3.646 20 0 EHADLO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1nnnn1C1CC1)C(C)C ZINC000341680535 1022986673 /nfs/dbraw/zinc/98/66/73/1022986673.db2.gz DONURSQXQIQQIC-KRWDZBQOSA-N 1 2 325.416 3.550 20 0 EHADLO C[N@H+](Cc1cnc2ccccn12)Cc1ccccc1OC(F)(F)F ZINC000506352278 1022988577 /nfs/dbraw/zinc/98/85/77/1022988577.db2.gz GEVPXMKGZKJWBS-UHFFFAOYSA-N 1 2 335.329 3.865 20 0 EHADLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1OC(F)(F)F ZINC000506352278 1022988590 /nfs/dbraw/zinc/98/85/90/1022988590.db2.gz GEVPXMKGZKJWBS-UHFFFAOYSA-N 1 2 335.329 3.865 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3ccccc3o2)c(O[C@H]2CCOC2)c1 ZINC000638749833 1023015902 /nfs/dbraw/zinc/01/59/02/1023015902.db2.gz QVYPKKYGFMUGPI-INIZCTEOSA-N 1 2 338.407 3.594 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000458991402 1023016069 /nfs/dbraw/zinc/01/60/69/1023016069.db2.gz VCBWIQUJDNUONR-IRXDYDNUSA-N 1 2 332.492 3.519 20 0 EHADLO CC(C)c1nc2n(n1)C[C@@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)CC2 ZINC000161952350 1023037459 /nfs/dbraw/zinc/03/74/59/1023037459.db2.gz YHVIMEMTEGZZQJ-AWEZNQCLSA-N 1 2 342.491 3.865 20 0 EHADLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548417006 1023038283 /nfs/dbraw/zinc/03/82/83/1023038283.db2.gz FOTJAXKAAQRVMS-ZIAGYGMSSA-N 1 2 345.830 3.513 20 0 EHADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000520470594 1023068219 /nfs/dbraw/zinc/06/82/19/1023068219.db2.gz BUFMQXRNFRGAGK-MLGOLLRUSA-N 1 2 337.345 3.512 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000429632470 1023073561 /nfs/dbraw/zinc/07/35/61/1023073561.db2.gz ZMVSUPBFEFNYAD-UHFFFAOYSA-N 1 2 349.438 3.878 20 0 EHADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426880198 1023096611 /nfs/dbraw/zinc/09/66/11/1023096611.db2.gz ABXPFFYPZZECAZ-JJEJIETFSA-N 1 2 339.464 3.879 20 0 EHADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426880198 1023096617 /nfs/dbraw/zinc/09/66/17/1023096617.db2.gz ABXPFFYPZZECAZ-JJEJIETFSA-N 1 2 339.464 3.879 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)n2)cc1 ZINC000548427305 1023111690 /nfs/dbraw/zinc/11/16/90/1023111690.db2.gz WARDOGWFAJFOPI-YPMHNXCESA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)n2)cc1 ZINC000548427305 1023111695 /nfs/dbraw/zinc/11/16/95/1023111695.db2.gz WARDOGWFAJFOPI-YPMHNXCESA-N 1 2 325.334 3.818 20 0 EHADLO CC[NH+](CC)CCC[C@H](C)Nc1[nH+]c2ccccc2c(C)c1C(=O)[O-] ZINC000518192398 1023112400 /nfs/dbraw/zinc/11/24/00/1023112400.db2.gz HKVZIBMNLINFEY-AWEZNQCLSA-N 1 2 343.471 3.586 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1OC ZINC000895068232 1023135276 /nfs/dbraw/zinc/13/52/76/1023135276.db2.gz OOTXZUFFZDNWPY-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO CCCOc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1OC ZINC000895068232 1023135281 /nfs/dbraw/zinc/13/52/81/1023135281.db2.gz OOTXZUFFZDNWPY-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2ccccc2)c(C)c1 ZINC000441481643 1023152296 /nfs/dbraw/zinc/15/22/96/1023152296.db2.gz OLRPLJAKMDOLPD-NRFANRHFSA-N 1 2 347.462 3.990 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCSCC2)c(C)c1 ZINC000441488857 1023189360 /nfs/dbraw/zinc/18/93/60/1023189360.db2.gz IFVLKEDEUFMHMI-GOSISDBHSA-N 1 2 343.496 3.501 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000295235908 1023193877 /nfs/dbraw/zinc/19/38/77/1023193877.db2.gz UFQBZTIVYHRBBJ-INIZCTEOSA-N 1 2 331.485 3.655 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@H]3CCCC[C@@H]31)C2 ZINC000476312375 1033130481 /nfs/dbraw/zinc/13/04/81/1033130481.db2.gz YWZZYQAOQCXBJS-COXVUDFISA-N 1 2 347.528 3.525 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@H]3CCCC[C@@H]31)CC2 ZINC000476312375 1033130485 /nfs/dbraw/zinc/13/04/85/1033130485.db2.gz YWZZYQAOQCXBJS-COXVUDFISA-N 1 2 347.528 3.525 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341831864 1023418231 /nfs/dbraw/zinc/41/82/31/1023418231.db2.gz JYXZQZSHUUXDOD-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cnc(C(C)C)s2)CC1 ZINC000092754409 1023422819 /nfs/dbraw/zinc/42/28/19/1023422819.db2.gz QGKSURBABBQMTO-UHFFFAOYSA-N 1 2 339.505 3.567 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cnc(C(C)C)s2)CC1 ZINC000092754409 1023422825 /nfs/dbraw/zinc/42/28/25/1023422825.db2.gz QGKSURBABBQMTO-UHFFFAOYSA-N 1 2 339.505 3.567 20 0 EHADLO O=c1[nH]c(C[NH2+]C2(c3cccc(F)c3)CC2)nc2c3ccccc3oc21 ZINC000341844749 1023445379 /nfs/dbraw/zinc/44/53/79/1023445379.db2.gz DEVBCGREIWJSPH-UHFFFAOYSA-N 1 2 349.365 4.000 20 0 EHADLO CCOc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341851908 1023460267 /nfs/dbraw/zinc/46/02/67/1023460267.db2.gz ISVRDOJBLBOFEU-IBGZPJMESA-N 1 2 349.434 3.647 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+](C)Cc2csc3ccccc23)n1 ZINC000602764245 1033136272 /nfs/dbraw/zinc/13/62/72/1033136272.db2.gz VIVDFRASAKEGEU-NSHDSACASA-N 1 2 330.409 3.869 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+](C)Cc2csc3ccccc23)n1 ZINC000602764245 1033136283 /nfs/dbraw/zinc/13/62/83/1033136283.db2.gz VIVDFRASAKEGEU-NSHDSACASA-N 1 2 330.409 3.869 20 0 EHADLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276972563 1023508110 /nfs/dbraw/zinc/50/81/10/1023508110.db2.gz ROSRACSJQXDWFZ-LLVKDONJSA-N 1 2 344.365 3.651 20 0 EHADLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276972563 1023508117 /nfs/dbraw/zinc/50/81/17/1023508117.db2.gz ROSRACSJQXDWFZ-LLVKDONJSA-N 1 2 344.365 3.651 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000535681171 1023559490 /nfs/dbraw/zinc/55/94/90/1023559490.db2.gz QNKBZRLVXMJPAK-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000535681171 1023559492 /nfs/dbraw/zinc/55/94/92/1023559492.db2.gz QNKBZRLVXMJPAK-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2scnc2C2CC2)c1C ZINC000535700975 1023575784 /nfs/dbraw/zinc/57/57/84/1023575784.db2.gz MHVZDEGJYKYGMO-UHFFFAOYSA-N 1 2 346.456 3.705 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000458168866 1023617244 /nfs/dbraw/zinc/61/72/44/1023617244.db2.gz SFRZDSRTAOEGDQ-UHFFFAOYSA-N 1 2 333.382 3.734 20 0 EHADLO CCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000535772988 1023624186 /nfs/dbraw/zinc/62/41/86/1023624186.db2.gz YPYRJTUYANFPJT-MRXNPFEDSA-N 1 2 341.455 3.614 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000535774185 1023625522 /nfs/dbraw/zinc/62/55/22/1023625522.db2.gz RRVDWXCNFFKEIR-IRXDYDNUSA-N 1 2 333.476 3.568 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000897755357 1033151306 /nfs/dbraw/zinc/15/13/06/1033151306.db2.gz HORVKKGLGQTVBC-VVCRRONFSA-N 1 2 345.512 3.595 20 0 EHADLO CCn1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc2ccccc21 ZINC000341908254 1023679487 /nfs/dbraw/zinc/67/94/87/1023679487.db2.gz JTFYQRCVDBXFBG-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO CC(C)CC[C@H](O)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000684606137 1023720575 /nfs/dbraw/zinc/72/05/75/1023720575.db2.gz GHQSPGGZRNUCTC-LBPRGKRZSA-N 1 2 332.307 3.666 20 0 EHADLO CC(C)CC[C@H](O)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000684606137 1023720579 /nfs/dbraw/zinc/72/05/79/1023720579.db2.gz GHQSPGGZRNUCTC-LBPRGKRZSA-N 1 2 332.307 3.666 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967591 1023913968 /nfs/dbraw/zinc/91/39/68/1023913968.db2.gz JYZYOLUDXZCQAY-FXAWDEMLSA-N 1 2 349.434 3.657 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967591 1023913975 /nfs/dbraw/zinc/91/39/75/1023913975.db2.gz JYZYOLUDXZCQAY-FXAWDEMLSA-N 1 2 349.434 3.657 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000458327127 1023941161 /nfs/dbraw/zinc/94/11/61/1023941161.db2.gz AADMRGNZFTUFMT-HXUWFJFHSA-N 1 2 339.483 3.949 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000475014255 1023956717 /nfs/dbraw/zinc/95/67/17/1023956717.db2.gz DYGOOMCPBLIXEC-UHFFFAOYSA-N 1 2 335.451 3.881 20 0 EHADLO C[N@@H+]1CCC[C@H](Oc2c(Br)cccc2Br)C1 ZINC001226841336 1023968252 /nfs/dbraw/zinc/96/82/52/1023968252.db2.gz ORXFYDLYFPXTCG-VIFPVBQESA-N 1 2 349.066 3.685 20 0 EHADLO C[N@H+]1CCC[C@H](Oc2c(Br)cccc2Br)C1 ZINC001226841336 1023968260 /nfs/dbraw/zinc/96/82/60/1023968260.db2.gz ORXFYDLYFPXTCG-VIFPVBQESA-N 1 2 349.066 3.685 20 0 EHADLO O=c1cc[nH]c2cc(C[NH2+][C@H](CCc3ccccc3)C(F)F)ccc12 ZINC000895207929 1023971796 /nfs/dbraw/zinc/97/17/96/1023971796.db2.gz YRMSITOKODXPOT-QGZVFWFLSA-N 1 2 342.389 3.884 20 0 EHADLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000475017821 1023987301 /nfs/dbraw/zinc/98/73/01/1023987301.db2.gz KWAAHXORMNNKSS-UHFFFAOYSA-N 1 2 338.432 3.786 20 0 EHADLO COC(=O)C1CCC([NH2+]c2ccc(N3CCSCC3)cc2C)CC1 ZINC000192447309 1024012542 /nfs/dbraw/zinc/01/25/42/1024012542.db2.gz PCUHBMSNOILNHI-UHFFFAOYSA-N 1 2 348.512 3.692 20 0 EHADLO Cc1ccc(Nc2nnc(SCc3cc[nH+]c(N)c3)s2)cc1 ZINC000443479303 1024024219 /nfs/dbraw/zinc/02/42/19/1024024219.db2.gz YPGPAYATDUYOMP-UHFFFAOYSA-N 1 2 329.454 3.690 20 0 EHADLO CCc1oc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1C ZINC000513996997 1024027798 /nfs/dbraw/zinc/02/77/98/1024027798.db2.gz NUEBCGKCGLKUSW-OAHLLOKOSA-N 1 2 332.831 3.591 20 0 EHADLO O=C(CSc1ccccc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514002343 1024043187 /nfs/dbraw/zinc/04/31/87/1024043187.db2.gz VUWFALHWDACYOS-KRWDZBQOSA-N 1 2 346.883 3.605 20 0 EHADLO CCCC[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000507774787 1024065393 /nfs/dbraw/zinc/06/53/93/1024065393.db2.gz MENVQCZZLJXWBU-HNNXBMFYSA-N 1 2 329.444 3.863 20 0 EHADLO CCOc1cc(C)ccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151158476 1024067416 /nfs/dbraw/zinc/06/74/16/1024067416.db2.gz NJGXBCSDOMXVQC-UHFFFAOYSA-N 1 2 335.407 3.509 20 0 EHADLO C[C@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1n1cc[nH+]c1 ZINC000346060348 1024071571 /nfs/dbraw/zinc/07/15/71/1024071571.db2.gz ITQFBALCACVVRN-GZKSLDRRSA-N 1 2 341.499 3.899 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000443857526 1024073279 /nfs/dbraw/zinc/07/32/79/1024073279.db2.gz TTWINYBSQJFJLP-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000443857526 1024073298 /nfs/dbraw/zinc/07/32/98/1024073298.db2.gz TTWINYBSQJFJLP-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000507775884 1024074551 /nfs/dbraw/zinc/07/45/51/1024074551.db2.gz MCJWSGMFUOIIGC-MRXNPFEDSA-N 1 2 341.329 3.961 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000507775884 1024074567 /nfs/dbraw/zinc/07/45/67/1024074567.db2.gz MCJWSGMFUOIIGC-MRXNPFEDSA-N 1 2 341.329 3.961 20 0 EHADLO CC[C@H](C)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)on1 ZINC000151397292 1024094743 /nfs/dbraw/zinc/09/47/43/1024094743.db2.gz VBDKTCLXGCNWOT-AWEZNQCLSA-N 1 2 342.443 3.503 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1cccc(OC(F)F)c1 ZINC000065233754 1024098305 /nfs/dbraw/zinc/09/83/05/1024098305.db2.gz YDUHFDSLGAJGRJ-UHFFFAOYSA-N 1 2 340.757 3.973 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000151351607 1024102997 /nfs/dbraw/zinc/10/29/97/1024102997.db2.gz WPPVPFLHKMYRLV-DOTOQJQBSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1nc(C(C)(C)C)no1 ZINC000191571420 1024126964 /nfs/dbraw/zinc/12/69/64/1024126964.db2.gz ROMSYSPNPPBGMC-DOTOQJQBSA-N 1 2 342.487 3.682 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000443935187 1024129756 /nfs/dbraw/zinc/12/97/56/1024129756.db2.gz AJKUGNAGPNLJOC-JTQLQIEISA-N 1 2 327.215 3.709 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329723933 1024147188 /nfs/dbraw/zinc/14/71/88/1024147188.db2.gz BKRXQCDVWBBYKR-YRGRVCCFSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329723933 1024147192 /nfs/dbraw/zinc/14/71/92/1024147192.db2.gz BKRXQCDVWBBYKR-YRGRVCCFSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](F)CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000505455870 1024251731 /nfs/dbraw/zinc/25/17/31/1024251731.db2.gz RNBCXIPDDHNABY-HNNXBMFYSA-N 1 2 348.491 3.762 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)cc1 ZINC000329952273 1024263563 /nfs/dbraw/zinc/26/35/63/1024263563.db2.gz MTSMQPZCMSRGAC-JKIFEVAISA-N 1 2 327.428 3.605 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)cc1 ZINC000329952273 1024263578 /nfs/dbraw/zinc/26/35/78/1024263578.db2.gz MTSMQPZCMSRGAC-JKIFEVAISA-N 1 2 327.428 3.605 20 0 EHADLO CC1(Nc2[nH+]cnc3c2cnn3-c2ccccc2F)CC(F)(F)C1 ZINC000895092985 1024278578 /nfs/dbraw/zinc/27/85/78/1024278578.db2.gz ZTBDWICRQNAEKG-UHFFFAOYSA-N 1 2 333.317 3.554 20 0 EHADLO C[C@@H](F)CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000505466318 1024282393 /nfs/dbraw/zinc/28/23/93/1024282393.db2.gz FTEQRNADWOYULF-NEPJUHHUSA-N 1 2 340.443 3.869 20 0 EHADLO CCC[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684651973 1024283155 /nfs/dbraw/zinc/28/31/55/1024283155.db2.gz GEEILZMVDWDGJB-HNNXBMFYSA-N 1 2 348.878 3.937 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003684 1024283969 /nfs/dbraw/zinc/28/39/69/1024283969.db2.gz ZXDSJXGMEKVUOJ-ROUUACIJSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003684 1024283982 /nfs/dbraw/zinc/28/39/82/1024283982.db2.gz ZXDSJXGMEKVUOJ-ROUUACIJSA-N 1 2 340.471 3.550 20 0 EHADLO CC(C)c1nnc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)s1 ZINC000895335146 1024312746 /nfs/dbraw/zinc/31/27/46/1024312746.db2.gz VSYLTXYZSOEUFT-LLVKDONJSA-N 1 2 337.411 3.641 20 0 EHADLO C[C@H]([C@H](C)[N@H+](C)Cc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000113517014 1024321164 /nfs/dbraw/zinc/32/11/64/1024321164.db2.gz RXQLJAZSLBEQJQ-JKSUJKDBSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000113517014 1024321174 /nfs/dbraw/zinc/32/11/74/1024321174.db2.gz RXQLJAZSLBEQJQ-JKSUJKDBSA-N 1 2 347.480 3.732 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000505477762 1024323893 /nfs/dbraw/zinc/32/38/93/1024323893.db2.gz WUMGMYOVNZSBCG-WMZOPIPTSA-N 1 2 344.499 3.775 20 0 EHADLO COc1cccc(-n2c3ccccc3[nH+]c2NCc2cscn2)c1 ZINC000508455534 1024324938 /nfs/dbraw/zinc/32/49/38/1024324938.db2.gz ZGIKYBUIHAQZEC-UHFFFAOYSA-N 1 2 336.420 3.525 20 0 EHADLO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2ncccn2)CC1 ZINC000330136025 1024331598 /nfs/dbraw/zinc/33/15/98/1024331598.db2.gz TWZHMFQYRVDEEW-QGZVFWFLSA-N 1 2 342.830 3.727 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c(C)c1OC ZINC000342191628 1024353951 /nfs/dbraw/zinc/35/39/51/1024353951.db2.gz QXOUHRRVVWQAIQ-LBPRGKRZSA-N 1 2 333.432 3.544 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505491966 1024356387 /nfs/dbraw/zinc/35/63/87/1024356387.db2.gz VEPGFQRRHYVIKZ-QGZVFWFLSA-N 1 2 338.382 3.667 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000430119260 1024369727 /nfs/dbraw/zinc/36/97/27/1024369727.db2.gz IIUYPBZTWYTQBV-UHFFFAOYSA-N 1 2 348.244 3.939 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000430119260 1024369742 /nfs/dbraw/zinc/36/97/42/1024369742.db2.gz IIUYPBZTWYTQBV-UHFFFAOYSA-N 1 2 348.244 3.939 20 0 EHADLO Cn1ncc(NCc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000342200650 1024375715 /nfs/dbraw/zinc/37/57/15/1024375715.db2.gz FPUKADFLZYVWQR-UHFFFAOYSA-N 1 2 329.407 3.885 20 0 EHADLO CC(C)CC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000664445148 1024399868 /nfs/dbraw/zinc/39/98/68/1024399868.db2.gz MJQVGMVCLPFTFZ-UHFFFAOYSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1ccc(C)c(OCC[NH+]2CCN(CCc3ccccc3)CC2)c1 ZINC000514349096 1024406523 /nfs/dbraw/zinc/40/65/23/1024406523.db2.gz XHNIGMKZKQRJIB-UHFFFAOYSA-N 1 2 338.495 3.543 20 0 EHADLO CCc1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)nc(CC)[nH+]1 ZINC000892032058 1024409898 /nfs/dbraw/zinc/40/98/98/1024409898.db2.gz GFIXCKUQSISPLH-ZDUSSCGKSA-N 1 2 340.427 3.731 20 0 EHADLO CCN(C)C(=O)c1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342208460 1024411266 /nfs/dbraw/zinc/41/12/66/1024411266.db2.gz LIJHCAGLCSDPNW-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCOCC1 ZINC000520694771 1024436703 /nfs/dbraw/zinc/43/67/03/1024436703.db2.gz BXEFJFOEZPGFIZ-INIZCTEOSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@H]1N(C(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc2C1(C)C ZINC000664450833 1024447479 /nfs/dbraw/zinc/44/74/79/1024447479.db2.gz RYJCRCFHXLHNOC-CQSZACIVSA-N 1 2 334.423 3.730 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000614657457 1024465581 /nfs/dbraw/zinc/46/55/81/1024465581.db2.gz MKJGAHUZFSDLQB-ROUUACIJSA-N 1 2 339.483 4.000 20 0 EHADLO CC(C)c1nc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)no1 ZINC000550582979 1024474225 /nfs/dbraw/zinc/47/42/25/1024474225.db2.gz LUAJDGVXKLTLEB-UHFFFAOYSA-N 1 2 332.473 3.907 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000469257814 1024492783 /nfs/dbraw/zinc/49/27/83/1024492783.db2.gz QLNHNPKCJJWJDJ-SJLPKXTDSA-N 1 2 339.439 3.622 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434915391 1024505634 /nfs/dbraw/zinc/50/56/34/1024505634.db2.gz TYEZRUDXXHRETI-HXUWFJFHSA-N 1 2 345.483 3.962 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000151738510 1024508078 /nfs/dbraw/zinc/50/80/78/1024508078.db2.gz OYBRQLGTQYRVQU-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO CC(C)Oc1ccc(CC[C@@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000052472948 1024531108 /nfs/dbraw/zinc/53/11/08/1024531108.db2.gz MZTQHJBHWRLMSV-CQSZACIVSA-N 1 2 339.443 3.584 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000434980092 1024535614 /nfs/dbraw/zinc/53/56/14/1024535614.db2.gz AKULIFASTFQMHW-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000434980092 1024535619 /nfs/dbraw/zinc/53/56/19/1024535619.db2.gz AKULIFASTFQMHW-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000346275766 1024565949 /nfs/dbraw/zinc/56/59/49/1024565949.db2.gz UQIXBLVUWNQVRD-KRWDZBQOSA-N 1 2 340.467 3.754 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000346275766 1024565964 /nfs/dbraw/zinc/56/59/64/1024565964.db2.gz UQIXBLVUWNQVRD-KRWDZBQOSA-N 1 2 340.467 3.754 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ncc(Br)s1)c1nccs1 ZINC000346249667 1024570139 /nfs/dbraw/zinc/57/01/39/1024570139.db2.gz IZFMHTWZEAUQHI-MRVPVSSYSA-N 1 2 332.292 3.598 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ncc(Br)s1)c1nccs1 ZINC000346249667 1024570150 /nfs/dbraw/zinc/57/01/50/1024570150.db2.gz IZFMHTWZEAUQHI-MRVPVSSYSA-N 1 2 332.292 3.598 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccco3)CC2)cc1 ZINC000607619158 1033220412 /nfs/dbraw/zinc/22/04/12/1033220412.db2.gz BTMRPXXZULBDNS-QGZVFWFLSA-N 1 2 340.467 3.851 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cn1 ZINC000435048005 1024575814 /nfs/dbraw/zinc/57/58/14/1024575814.db2.gz KJPNCYFTWKCFHQ-TWGQIWQCSA-N 1 2 349.478 3.676 20 0 EHADLO CCn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)n1 ZINC000892075808 1024581480 /nfs/dbraw/zinc/58/14/80/1024581480.db2.gz NQZIRXGMJQPHPJ-UHFFFAOYSA-N 1 2 329.288 3.528 20 0 EHADLO CCn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)n1 ZINC000892075808 1024581486 /nfs/dbraw/zinc/58/14/86/1024581486.db2.gz NQZIRXGMJQPHPJ-UHFFFAOYSA-N 1 2 329.288 3.528 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000156769719 1024585927 /nfs/dbraw/zinc/58/59/27/1024585927.db2.gz KCBQVLVMOIBMAM-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000156769719 1024585932 /nfs/dbraw/zinc/58/59/32/1024585932.db2.gz KCBQVLVMOIBMAM-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)Nc3ccc(F)cc3)c2c1 ZINC000514591456 1024586727 /nfs/dbraw/zinc/58/67/27/1024586727.db2.gz WEQRXVLGXQKDMI-UHFFFAOYSA-N 1 2 340.354 3.708 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C2CC2)cc1 ZINC000665504096 1024588389 /nfs/dbraw/zinc/58/83/89/1024588389.db2.gz FBXBCHBDWSMZAG-GOSISDBHSA-N 1 2 337.467 3.760 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2OC(C)C)o1 ZINC000895538295 1024595253 /nfs/dbraw/zinc/59/52/53/1024595253.db2.gz BWAFFMSXEVMXOI-UHFFFAOYSA-N 1 2 337.803 3.797 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OC ZINC000346297862 1024615362 /nfs/dbraw/zinc/61/53/62/1024615362.db2.gz PWSDTVZXAYCZGN-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OC ZINC000346297862 1024615378 /nfs/dbraw/zinc/61/53/78/1024615378.db2.gz PWSDTVZXAYCZGN-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000684686888 1024629883 /nfs/dbraw/zinc/62/98/83/1024629883.db2.gz UCMJNGLHCNOBMN-GDBMZVCRSA-N 1 2 338.386 3.931 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000428292112 1024646672 /nfs/dbraw/zinc/64/66/72/1024646672.db2.gz AAASSRWMXVUMRJ-XJKSGUPXSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000428292112 1024646682 /nfs/dbraw/zinc/64/66/82/1024646682.db2.gz AAASSRWMXVUMRJ-XJKSGUPXSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccoc2Cl)c(C)c1 ZINC000346379497 1024693461 /nfs/dbraw/zinc/69/34/61/1024693461.db2.gz IACXYJKQXOLCJZ-INIZCTEOSA-N 1 2 343.814 3.918 20 0 EHADLO C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281174675 1024704313 /nfs/dbraw/zinc/70/43/13/1024704313.db2.gz LLGVWEODNICGEB-CABCVRRESA-N 1 2 349.434 3.546 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cccc(C)c1C)[C@@H]1CCc2ccccc21 ZINC000059017974 1033231793 /nfs/dbraw/zinc/23/17/93/1033231793.db2.gz PONMORCUHZWLRE-OAQYLSRUSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cccc(C)c1C)[C@@H]1CCc2ccccc21 ZINC000059017974 1033231807 /nfs/dbraw/zinc/23/18/07/1033231807.db2.gz PONMORCUHZWLRE-OAQYLSRUSA-N 1 2 332.447 3.865 20 0 EHADLO C[C@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000425316620 1024739175 /nfs/dbraw/zinc/73/91/75/1024739175.db2.gz QDEHMHLILRNNQY-GOYZHWMFSA-N 1 2 349.478 3.826 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC[C@@H]1C(F)F ZINC000425317372 1024742424 /nfs/dbraw/zinc/74/24/24/1024742424.db2.gz FRUDWSXKICRLKJ-HUUCEWRRSA-N 1 2 333.382 3.578 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC000346448484 1024743359 /nfs/dbraw/zinc/74/33/59/1024743359.db2.gz HIUGISVXMXCTTP-LJQANCHMSA-N 1 2 327.472 3.799 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC000346448484 1024743371 /nfs/dbraw/zinc/74/33/71/1024743371.db2.gz HIUGISVXMXCTTP-LJQANCHMSA-N 1 2 327.472 3.799 20 0 EHADLO C[C@@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000425319379 1024748283 /nfs/dbraw/zinc/74/82/83/1024748283.db2.gz VNMVPPLXVIZUAA-PEXPKUBFSA-N 1 2 347.462 3.602 20 0 EHADLO CC[C@@H]1CCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425315545 1024750594 /nfs/dbraw/zinc/75/05/94/1024750594.db2.gz ORJAEIRDNFOLNB-KBAYOESNSA-N 1 2 325.456 3.874 20 0 EHADLO CC[C@@H]1CCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425315547 1024751116 /nfs/dbraw/zinc/75/11/16/1024751116.db2.gz ORJAEIRDNFOLNB-NJAFHUGGSA-N 1 2 325.456 3.874 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594181216 1033237184 /nfs/dbraw/zinc/23/71/84/1033237184.db2.gz XFWLEBBVPNWRDL-LBPRGKRZSA-N 1 2 348.855 3.505 20 0 EHADLO O=C([C@H]1CC=CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435325054 1024783988 /nfs/dbraw/zinc/78/39/88/1024783988.db2.gz COVTULZDRWRXLQ-KRWDZBQOSA-N 1 2 343.858 3.922 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC000425349380 1024831058 /nfs/dbraw/zinc/83/10/58/1024831058.db2.gz QFHJQIVPPSHSIP-HXUWFJFHSA-N 1 2 342.439 3.895 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC000425349380 1024831074 /nfs/dbraw/zinc/83/10/74/1024831074.db2.gz QFHJQIVPPSHSIP-HXUWFJFHSA-N 1 2 342.439 3.895 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343830483 1024834983 /nfs/dbraw/zinc/83/49/83/1024834983.db2.gz BNPCHYXBAZMHGW-BDAKNGLRSA-N 1 2 336.404 3.916 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC000096719474 1024837134 /nfs/dbraw/zinc/83/71/34/1024837134.db2.gz MFTJIVCHPWGDRD-UHFFFAOYSA-N 1 2 341.430 3.526 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000895780325 1024840413 /nfs/dbraw/zinc/84/04/13/1024840413.db2.gz HAWGOBBJFXFXFP-UHFFFAOYSA-N 1 2 340.254 3.892 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3sccc3[C@H]1C)C2 ZINC000474376974 1024851650 /nfs/dbraw/zinc/85/16/50/1024851650.db2.gz NGXGCMAMORDIRG-CHWSQXEVSA-N 1 2 343.496 3.845 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3sccc3[C@H]1C)CC2 ZINC000474376974 1024851657 /nfs/dbraw/zinc/85/16/57/1024851657.db2.gz NGXGCMAMORDIRG-CHWSQXEVSA-N 1 2 343.496 3.845 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000425363096 1024861292 /nfs/dbraw/zinc/86/12/92/1024861292.db2.gz AOWYTKGQSKIVTN-SJLPKXTDSA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000425363096 1024861310 /nfs/dbraw/zinc/86/13/10/1024861310.db2.gz AOWYTKGQSKIVTN-SJLPKXTDSA-N 1 2 335.806 3.796 20 0 EHADLO COC(=O)C(C)(C)CCNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000474387164 1024867713 /nfs/dbraw/zinc/86/77/13/1024867713.db2.gz ZTWBHTIRMXFUSF-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346550855 1024889664 /nfs/dbraw/zinc/88/96/64/1024889664.db2.gz RVSPHQWMYYMLEJ-VVLHAWIVSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346550855 1024889680 /nfs/dbraw/zinc/88/96/80/1024889680.db2.gz RVSPHQWMYYMLEJ-VVLHAWIVSA-N 1 2 340.467 3.515 20 0 EHADLO CCCc1occc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000281331132 1024907292 /nfs/dbraw/zinc/90/72/92/1024907292.db2.gz TYJBNJNTPNJUJH-UHFFFAOYSA-N 1 2 333.457 3.927 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1 ZINC000346573739 1024911851 /nfs/dbraw/zinc/91/18/51/1024911851.db2.gz RWIDXSARZURUSN-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000281324176 1024925253 /nfs/dbraw/zinc/92/52/53/1024925253.db2.gz RMFBBNXWNSURHK-UHFFFAOYSA-N 1 2 327.325 3.889 20 0 EHADLO COc1c(C)c[nH+]c(CSCC(=O)Nc2ccc(F)cc2)c1C ZINC000346600691 1024937835 /nfs/dbraw/zinc/93/78/35/1024937835.db2.gz IWBPKSZEQCTYDK-UHFFFAOYSA-N 1 2 334.416 3.718 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCS2 ZINC000157528864 1024943056 /nfs/dbraw/zinc/94/30/56/1024943056.db2.gz DSJIVHAHAGPZNR-AWEZNQCLSA-N 1 2 348.903 3.985 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000115610287 1024945327 /nfs/dbraw/zinc/94/53/27/1024945327.db2.gz YMBYAZHPODHMLZ-UHFFFAOYSA-N 1 2 336.370 3.727 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)n(C)n1 ZINC000514990305 1024947295 /nfs/dbraw/zinc/94/72/95/1024947295.db2.gz DSPRSOYMIRXPFE-MRXNPFEDSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)n(C)n1 ZINC000514990305 1024947306 /nfs/dbraw/zinc/94/73/06/1024947306.db2.gz DSPRSOYMIRXPFE-MRXNPFEDSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)ccnc2n1 ZINC000435502956 1024970013 /nfs/dbraw/zinc/97/00/13/1024970013.db2.gz BBYFIZABIYIJAS-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@H+](C)Cc2ccc3cc[nH]c3c2)s1 ZINC001207262513 1024981285 /nfs/dbraw/zinc/98/12/85/1024981285.db2.gz XGTXAMWGBJNPMK-UHFFFAOYSA-N 1 2 334.876 3.976 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)s1 ZINC001207262513 1024981296 /nfs/dbraw/zinc/98/12/96/1024981296.db2.gz XGTXAMWGBJNPMK-UHFFFAOYSA-N 1 2 334.876 3.976 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@@H](c3cnn(C)c3)C(C)(C)C)o2)cc1 ZINC000342345039 1025000361 /nfs/dbraw/zinc/00/03/61/1025000361.db2.gz OQMXUNZLJQEPJT-KRWDZBQOSA-N 1 2 339.443 3.656 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cc3ccccc3o2)c1 ZINC000346671100 1025006348 /nfs/dbraw/zinc/00/63/48/1025006348.db2.gz SSNNTHIOEPSJTQ-UHFFFAOYSA-N 1 2 345.402 3.899 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1F ZINC000508300282 1025020945 /nfs/dbraw/zinc/02/09/45/1025020945.db2.gz PNLQMZLTJFXIGK-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000084754274 1025024233 /nfs/dbraw/zinc/02/42/33/1025024233.db2.gz BVQAMEKUXXRAQK-NSCUHMNNSA-N 1 2 331.419 3.900 20 0 EHADLO Cc1noc(C[C@@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc2)n1 ZINC000277418080 1025028213 /nfs/dbraw/zinc/02/82/13/1025028213.db2.gz GIXIXMNZUMOWMF-MRXNPFEDSA-N 1 2 340.452 3.786 20 0 EHADLO Cc1cccc(OCCCc2noc(C[C@@H](C)n3cc[nH+]c3)n2)c1C ZINC000563228685 1025048179 /nfs/dbraw/zinc/04/81/79/1025048179.db2.gz DXTOQCWMJSSZGL-OAHLLOKOSA-N 1 2 340.427 3.698 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548652910 1025049148 /nfs/dbraw/zinc/04/91/48/1025049148.db2.gz OGEQPKCUMMUOLC-MJGOQNOKSA-N 1 2 340.471 3.675 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000281463864 1025070352 /nfs/dbraw/zinc/07/03/52/1025070352.db2.gz DBUQQNKQWAMDOX-UHFFFAOYSA-N 1 2 347.846 3.966 20 0 EHADLO O=C(N[C@H]1CCCc2ccccc2C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000888248101 1025075862 /nfs/dbraw/zinc/07/58/62/1025075862.db2.gz KEQKSBBZVYCYRE-NRFANRHFSA-N 1 2 345.446 3.609 20 0 EHADLO CCCOc1cc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000277431774 1025076814 /nfs/dbraw/zinc/07/68/14/1025076814.db2.gz NODAQXSCYWAKDN-KBPBESRZSA-N 1 2 346.475 3.966 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(F)c2SC)c1C ZINC000435698197 1025086463 /nfs/dbraw/zinc/08/64/63/1025086463.db2.gz QHRAYIARCIPJGR-UHFFFAOYSA-N 1 2 348.443 3.840 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000435706938 1025091400 /nfs/dbraw/zinc/09/14/00/1025091400.db2.gz UNGDOTAPCGOCHA-RHSMWYFYSA-N 1 2 346.862 3.862 20 0 EHADLO O=C(N[C@@H]1CSc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346784117 1025097007 /nfs/dbraw/zinc/09/70/07/1025097007.db2.gz ZDUBVEVANXDYDS-QGZVFWFLSA-N 1 2 335.432 3.508 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000281498247 1025113317 /nfs/dbraw/zinc/11/33/17/1025113317.db2.gz WLZNXYIUYAIGJC-UHFFFAOYSA-N 1 2 327.457 3.581 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548657220 1025115529 /nfs/dbraw/zinc/11/55/29/1025115529.db2.gz FAACGTFOPGKEQW-IAGOWNOFSA-N 1 2 346.519 3.882 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ncsc4C4CC4)n3)[nH+]c12 ZINC000896064985 1025118377 /nfs/dbraw/zinc/11/83/77/1025118377.db2.gz HAVCSIIXXKOBAS-UHFFFAOYSA-N 1 2 337.408 3.617 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](Cc2ccccc2F)CC(C)C)n1 ZINC000346796554 1025119933 /nfs/dbraw/zinc/11/99/33/1025119933.db2.gz QOKLOZNJQUYMFA-UHFFFAOYSA-N 1 2 335.448 3.687 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](Cc2ccccc2F)CC(C)C)n1 ZINC000346796554 1025119941 /nfs/dbraw/zinc/11/99/41/1025119941.db2.gz QOKLOZNJQUYMFA-UHFFFAOYSA-N 1 2 335.448 3.687 20 0 EHADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)OCO2 ZINC000435769732 1025130672 /nfs/dbraw/zinc/13/06/72/1025130672.db2.gz WYGACBJEXKAXPD-CQSZACIVSA-N 1 2 349.228 3.843 20 0 EHADLO Brc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1)OCO2 ZINC000435769732 1025130682 /nfs/dbraw/zinc/13/06/82/1025130682.db2.gz WYGACBJEXKAXPD-CQSZACIVSA-N 1 2 349.228 3.843 20 0 EHADLO COC[C@H](C)Oc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000657319599 1025137090 /nfs/dbraw/zinc/13/70/90/1025137090.db2.gz BRGPTEVOZJQFLL-INIZCTEOSA-N 1 2 337.423 3.898 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000474573461 1025152013 /nfs/dbraw/zinc/15/20/13/1025152013.db2.gz GUBUCSMVPRBTFW-CYBMUJFWSA-N 1 2 329.419 3.830 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000474573461 1025152018 /nfs/dbraw/zinc/15/20/18/1025152018.db2.gz GUBUCSMVPRBTFW-CYBMUJFWSA-N 1 2 329.419 3.830 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cnccn2)c(-c2ccccc2)s1 ZINC000442098348 1025166973 /nfs/dbraw/zinc/16/69/73/1025166973.db2.gz PWNUIIRQQKJQSV-CYBMUJFWSA-N 1 2 340.452 3.597 20 0 EHADLO C[C@H]1CCc2nc(C[NH2+]Cc3ccc4c(n3)CCCC4)sc2C1 ZINC000444003506 1025174685 /nfs/dbraw/zinc/17/46/85/1025174685.db2.gz JAKXDLVHUJVTMW-ZDUSSCGKSA-N 1 2 327.497 3.832 20 0 EHADLO Brc1ccc2c(cc[nH+]c2NCC2CC3(C2)OCCO3)c1 ZINC000896154644 1025181383 /nfs/dbraw/zinc/18/13/83/1025181383.db2.gz YHNBFDHTGCRTRM-UHFFFAOYSA-N 1 2 349.228 3.562 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(Cl)cc(F)c1F ZINC000442196515 1025207475 /nfs/dbraw/zinc/20/74/75/1025207475.db2.gz QBDISMGTDOIMBU-UHFFFAOYSA-N 1 2 336.729 3.588 20 0 EHADLO CCN(CC(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442231052 1025212553 /nfs/dbraw/zinc/21/25/53/1025212553.db2.gz TZUFGNQMYDTHNT-LJQANCHMSA-N 1 2 342.487 3.929 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000281560456 1025231279 /nfs/dbraw/zinc/23/12/79/1025231279.db2.gz LDXBDXMCJHNUPC-VAMGGRTRSA-N 1 2 337.467 3.538 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC000657331318 1025238740 /nfs/dbraw/zinc/23/87/40/1025238740.db2.gz XYUNDNSRQQEVFQ-UHFFFAOYSA-N 1 2 328.441 3.694 20 0 EHADLO COc1ccc2occ(C(=O)Nc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000442284584 1025244068 /nfs/dbraw/zinc/24/40/68/1025244068.db2.gz NXGAFJRQFAKTLW-UHFFFAOYSA-N 1 2 333.347 3.879 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CCc3cncc(C)c3)c2)[nH+]c1C ZINC000366639977 1025245684 /nfs/dbraw/zinc/24/56/84/1025245684.db2.gz ZSLCRFLBWSIWQC-UHFFFAOYSA-N 1 2 334.423 3.968 20 0 EHADLO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)c3nccc(N)n3)cc2)cs1 ZINC000521266515 1025300000 /nfs/dbraw/zinc/30/00/00/1025300000.db2.gz CPNJRZLFDWXYHQ-RYUDHWBXSA-N 1 2 339.468 3.733 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665445355 1025341968 /nfs/dbraw/zinc/34/19/68/1025341968.db2.gz PTWRPZZDZONTEV-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO CC1=CC[C@@](C)(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000665445216 1025349494 /nfs/dbraw/zinc/34/94/94/1025349494.db2.gz LFHKFRYJNLXZQX-HXUWFJFHSA-N 1 2 328.456 3.594 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474693820 1025352343 /nfs/dbraw/zinc/35/23/43/1025352343.db2.gz DOTHQLXOLZROKI-RTBURBONSA-N 1 2 325.456 3.764 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000346972165 1025367661 /nfs/dbraw/zinc/36/76/61/1025367661.db2.gz RZNMNCYUYOFZBT-MNOVXSKESA-N 1 2 335.249 3.608 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CC[C@H](C)C3)cn2c1 ZINC000346974232 1025372383 /nfs/dbraw/zinc/37/23/83/1025372383.db2.gz IRNXWJIWXMAOFR-XJKSGUPXSA-N 1 2 331.485 3.523 20 0 EHADLO c1cc(-c2n[nH]cc2CNc2ccc(N3CCCCC3)c[nH+]2)cs1 ZINC000548686980 1025375967 /nfs/dbraw/zinc/37/59/67/1025375967.db2.gz MYBOXXIRGJXJKB-UHFFFAOYSA-N 1 2 339.468 3.558 20 0 EHADLO O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346998762 1025376617 /nfs/dbraw/zinc/37/66/17/1025376617.db2.gz ZMZMPXSIDUUXTE-UHFFFAOYSA-N 1 2 345.402 3.703 20 0 EHADLO CC/C=C/C[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639229237 1025377858 /nfs/dbraw/zinc/37/78/58/1025377858.db2.gz ZCJJYXQPIDLVFQ-AATRIKPKSA-N 1 2 345.468 3.892 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000347007870 1025404961 /nfs/dbraw/zinc/40/49/61/1025404961.db2.gz HYXSGOQUSNIMRB-IAGOWNOFSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+](CCC(F)(F)F)CC2CC2)nn1 ZINC000521512353 1025432998 /nfs/dbraw/zinc/43/29/98/1025432998.db2.gz QJEWMKXNFGKJNV-UHFFFAOYSA-N 1 2 338.377 3.740 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)nn1 ZINC000521512353 1025433007 /nfs/dbraw/zinc/43/30/07/1025433007.db2.gz QJEWMKXNFGKJNV-UHFFFAOYSA-N 1 2 338.377 3.740 20 0 EHADLO CC1(C)OCc2cc(C[NH2+][C@@H]3c4ccccc4OC[C@H]3F)ccc2O1 ZINC000896421850 1025433232 /nfs/dbraw/zinc/43/32/32/1025433232.db2.gz CVAFEDOIAKKQFW-VQIMIIECSA-N 1 2 343.398 3.893 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1(F)F ZINC000436185317 1025437792 /nfs/dbraw/zinc/43/77/92/1025437792.db2.gz LRAXIEBKGYEISP-IAQYHMDHSA-N 1 2 331.366 3.726 20 0 EHADLO CCN(Cc1ccccc1)C(=O)CNc1cc[nH+]c2c(OC)cccc12 ZINC000436193787 1025466788 /nfs/dbraw/zinc/46/67/88/1025466788.db2.gz LXOAACNALIUVOS-UHFFFAOYSA-N 1 2 349.434 3.704 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451075940 1025500227 /nfs/dbraw/zinc/50/02/27/1025500227.db2.gz ZLLPUMFWMPEBTD-AWEZNQCLSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451075940 1025500240 /nfs/dbraw/zinc/50/02/40/1025500240.db2.gz ZLLPUMFWMPEBTD-AWEZNQCLSA-N 1 2 335.860 3.722 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1F ZINC000121562184 1025506334 /nfs/dbraw/zinc/50/63/34/1025506334.db2.gz WPXHHTWKWNABAG-JTQLQIEISA-N 1 2 333.388 3.797 20 0 EHADLO Fc1ccc(Cn2cc(CNc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC000436278819 1025529119 /nfs/dbraw/zinc/52/91/19/1025529119.db2.gz DYLXUEFYTZXQOY-UHFFFAOYSA-N 1 2 347.397 3.868 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccccn2)cc1 ZINC000657364426 1025544643 /nfs/dbraw/zinc/54/46/43/1025544643.db2.gz VALORHALMOAPMO-OAQYLSRUSA-N 1 2 347.466 3.780 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665453796 1025547541 /nfs/dbraw/zinc/54/75/41/1025547541.db2.gz UCMNWKXQUKNREO-IRXDYDNUSA-N 1 2 330.476 3.733 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122420 1025558442 /nfs/dbraw/zinc/55/84/42/1025558442.db2.gz RIGGXZKDDBLXPT-QWRGUYRKSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122420 1025558452 /nfs/dbraw/zinc/55/84/52/1025558452.db2.gz RIGGXZKDDBLXPT-QWRGUYRKSA-N 1 2 328.225 3.514 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ncc(Br)cn2)ccc1F ZINC000347140199 1025563735 /nfs/dbraw/zinc/56/37/35/1025563735.db2.gz ZQCPULRESGRQFZ-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)c2ncc(Br)cn2)ccc1F ZINC000347140199 1025563747 /nfs/dbraw/zinc/56/37/47/1025563747.db2.gz ZQCPULRESGRQFZ-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c(C)c1 ZINC000442887163 1025568075 /nfs/dbraw/zinc/56/80/75/1025568075.db2.gz UOFNVGOSGGHDCK-MRXNPFEDSA-N 1 2 332.488 3.828 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cs1 ZINC000436316632 1025578236 /nfs/dbraw/zinc/57/82/36/1025578236.db2.gz SPYYXWGARYJJIK-SNVBAGLBSA-N 1 2 334.470 3.592 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000281836034 1025580955 /nfs/dbraw/zinc/58/09/55/1025580955.db2.gz YBCAALONHLGQSK-UONOGXRCSA-N 1 2 339.468 3.796 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)C2 ZINC000530300959 1025618268 /nfs/dbraw/zinc/61/82/68/1025618268.db2.gz WNPMHQSVGYXXDM-ZNMIVQPWSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)CC2 ZINC000530300959 1025618277 /nfs/dbraw/zinc/61/82/77/1025618277.db2.gz WNPMHQSVGYXXDM-ZNMIVQPWSA-N 1 2 331.504 3.969 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000442962209 1025620715 /nfs/dbraw/zinc/62/07/15/1025620715.db2.gz CDSIBPMFDZCXMV-AEFFLSMTSA-N 1 2 337.467 3.666 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000121643281 1025624731 /nfs/dbraw/zinc/62/47/31/1025624731.db2.gz JBEQHWYGELTVBU-UHFFFAOYSA-N 1 2 347.480 3.518 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000121643281 1025624740 /nfs/dbraw/zinc/62/47/40/1025624740.db2.gz JBEQHWYGELTVBU-UHFFFAOYSA-N 1 2 347.480 3.518 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000684798552 1025627026 /nfs/dbraw/zinc/62/70/26/1025627026.db2.gz UBWHMLUYOGMMOY-SFHVURJKSA-N 1 2 347.466 3.952 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000684798552 1025627031 /nfs/dbraw/zinc/62/70/31/1025627031.db2.gz UBWHMLUYOGMMOY-SFHVURJKSA-N 1 2 347.466 3.952 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281891767 1025639955 /nfs/dbraw/zinc/63/99/55/1025639955.db2.gz DWFDAVQFJBAXPC-HNNXBMFYSA-N 1 2 343.858 3.893 20 0 EHADLO Cc1sc(CNc2cc(N3CCCCC3)nc[nH+]2)nc1C(C)C ZINC000347192864 1025657456 /nfs/dbraw/zinc/65/74/56/1025657456.db2.gz WLLNMQVCEDXRLI-UHFFFAOYSA-N 1 2 331.489 3.967 20 0 EHADLO Cc1sc(CNc2cc(N3CCCCC3)[nH+]cn2)nc1C(C)C ZINC000347192864 1025657470 /nfs/dbraw/zinc/65/74/70/1025657470.db2.gz WLLNMQVCEDXRLI-UHFFFAOYSA-N 1 2 331.489 3.967 20 0 EHADLO CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](CC)c1ccccc1 ZINC000370883479 1025670254 /nfs/dbraw/zinc/67/02/54/1025670254.db2.gz KXWYOBNPAWLPJN-ROUUACIJSA-N 1 2 325.456 3.835 20 0 EHADLO Cc1[nH]c(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)[nH+]c1C ZINC000515870716 1025691885 /nfs/dbraw/zinc/69/18/85/1025691885.db2.gz WPXNSQJMPIQJHU-UHFFFAOYSA-N 1 2 335.333 3.843 20 0 EHADLO C[C@H](OCC(F)(F)F)c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000896603998 1025717327 /nfs/dbraw/zinc/71/73/27/1025717327.db2.gz QVHGNXJLOCFQLZ-JTQLQIEISA-N 1 2 338.289 3.562 20 0 EHADLO CCC(CC)c1cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)on1 ZINC000657379841 1025717556 /nfs/dbraw/zinc/71/75/56/1025717556.db2.gz DRGOBFHYKROPFY-UHFFFAOYSA-N 1 2 330.354 3.620 20 0 EHADLO C[C@H](c1nc(-c2ccc3c(c2)OCO3)no1)[N@@H+]1CCc2ccccc2C1 ZINC000443107075 1025717773 /nfs/dbraw/zinc/71/77/73/1025717773.db2.gz RZRQRQZPAPPHDP-CYBMUJFWSA-N 1 2 349.390 3.585 20 0 EHADLO C[C@H](c1nc(-c2ccc3c(c2)OCO3)no1)[N@H+]1CCc2ccccc2C1 ZINC000443107075 1025717784 /nfs/dbraw/zinc/71/77/84/1025717784.db2.gz RZRQRQZPAPPHDP-CYBMUJFWSA-N 1 2 349.390 3.585 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccnc1C1CC1 ZINC000436444977 1025731110 /nfs/dbraw/zinc/73/11/10/1025731110.db2.gz RWXZBJCGUKJODL-UHFFFAOYSA-N 1 2 342.468 3.654 20 0 EHADLO COCCC1(c2noc([C@H](c3ccccc3)[NH+](C)C)n2)CCCC1 ZINC000896626284 1025733741 /nfs/dbraw/zinc/73/37/41/1025733741.db2.gz OWBYWRKOAGADCA-INIZCTEOSA-N 1 2 329.444 3.569 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc4c3OC(C)(C)C4)[nH+]c12 ZINC000530394910 1025748131 /nfs/dbraw/zinc/74/81/31/1025748131.db2.gz WXAVKWSWFIUBRH-UHFFFAOYSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081317131 1025748866 /nfs/dbraw/zinc/74/88/66/1025748866.db2.gz GYDNCNXQVSUVMS-XLIONFOSSA-N 1 2 347.462 3.932 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cccc(F)c2Cl)C[C@@H]1c1ccccc1 ZINC000451282481 1025755573 /nfs/dbraw/zinc/75/55/73/1025755573.db2.gz LPBHJXXGGDIQCJ-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1c1ccccc1 ZINC000451282481 1025755586 /nfs/dbraw/zinc/75/55/86/1025755586.db2.gz LPBHJXXGGDIQCJ-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000081318754 1025765179 /nfs/dbraw/zinc/76/51/79/1025765179.db2.gz WHKOZGKHBPHYDF-YOEHRIQHSA-N 1 2 339.464 3.685 20 0 EHADLO COC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425566610 1025766376 /nfs/dbraw/zinc/76/63/76/1025766376.db2.gz HVSIQSKGRSIEIN-HUUCEWRRSA-N 1 2 341.455 3.744 20 0 EHADLO CSCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425574446 1025806633 /nfs/dbraw/zinc/80/66/33/1025806633.db2.gz QTDSWJZADOZSAF-UHFFFAOYSA-N 1 2 329.469 3.968 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CC[C@H](C)C4)n2)C1 ZINC000329398929 1025810252 /nfs/dbraw/zinc/81/02/52/1025810252.db2.gz XEEBKFVBITWBTL-JSGCOSHPSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CC[C@H](C)C4)n2)C1 ZINC000329398929 1025810271 /nfs/dbraw/zinc/81/02/71/1025810271.db2.gz XEEBKFVBITWBTL-JSGCOSHPSA-N 1 2 347.484 3.705 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)c1ccccc1 ZINC000505839101 1025812150 /nfs/dbraw/zinc/81/21/50/1025812150.db2.gz KLPHPVUBCMDRGR-FNDLEWIFSA-N 1 2 341.476 3.638 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)c1ccccc1 ZINC000505839101 1025812171 /nfs/dbraw/zinc/81/21/71/1025812171.db2.gz KLPHPVUBCMDRGR-FNDLEWIFSA-N 1 2 341.476 3.638 20 0 EHADLO CC(C)Oc1ccc(CCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000521951858 1025817862 /nfs/dbraw/zinc/81/78/62/1025817862.db2.gz SZPNOZWAGVEIOJ-UHFFFAOYSA-N 1 2 340.471 3.909 20 0 EHADLO CC(C)Oc1ccc(CCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000521951858 1025817885 /nfs/dbraw/zinc/81/78/85/1025817885.db2.gz SZPNOZWAGVEIOJ-UHFFFAOYSA-N 1 2 340.471 3.909 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684820836 1025856140 /nfs/dbraw/zinc/85/61/40/1025856140.db2.gz PCQPWUNHYPMDAF-LBPRGKRZSA-N 1 2 329.400 3.840 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000521995774 1025867041 /nfs/dbraw/zinc/86/70/41/1025867041.db2.gz SHBAUKIQFYVZSP-ROUUACIJSA-N 1 2 342.487 3.546 20 0 EHADLO CN(c1nc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cs1)C1CC1 ZINC000443315259 1025903223 /nfs/dbraw/zinc/90/32/23/1025903223.db2.gz SYTKAGILGUDJPS-UHFFFAOYSA-N 1 2 335.517 3.665 20 0 EHADLO CN(c1nc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cs1)C1CC1 ZINC000443315259 1025903234 /nfs/dbraw/zinc/90/32/34/1025903234.db2.gz SYTKAGILGUDJPS-UHFFFAOYSA-N 1 2 335.517 3.665 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000451408301 1025912348 /nfs/dbraw/zinc/91/23/48/1025912348.db2.gz XLTPCAJRJNKRIB-RBUKOAKNSA-N 1 2 337.467 3.762 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121872839 1025924822 /nfs/dbraw/zinc/92/48/22/1025924822.db2.gz KQFJFRZHNDMIPY-ZDUSSCGKSA-N 1 2 349.477 3.834 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121872839 1025924838 /nfs/dbraw/zinc/92/48/38/1025924838.db2.gz KQFJFRZHNDMIPY-ZDUSSCGKSA-N 1 2 349.477 3.834 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473467 1026017783 /nfs/dbraw/zinc/01/77/83/1026017783.db2.gz WFOSIQUZNQSRLQ-SJORKVTESA-N 1 2 331.504 3.998 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)[nH+]c1C ZINC000896921482 1026039874 /nfs/dbraw/zinc/03/98/74/1026039874.db2.gz NONJZNJJMYRAHM-QMMMGPOBSA-N 1 2 326.227 3.753 20 0 EHADLO CC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC(F)(F)C1 ZINC000896821221 1026083082 /nfs/dbraw/zinc/08/30/82/1026083082.db2.gz PNBBITAOTXPYQA-UHFFFAOYSA-N 1 2 330.338 3.533 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451545235 1026096176 /nfs/dbraw/zinc/09/61/76/1026096176.db2.gz QTVMXHYDBJFOFO-BXUZGUMPSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451545235 1026096190 /nfs/dbraw/zinc/09/61/90/1026096190.db2.gz QTVMXHYDBJFOFO-BXUZGUMPSA-N 1 2 345.270 3.679 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)[nH+]c1)C1CCC(F)(F)CC1 ZINC000474056042 1026098224 /nfs/dbraw/zinc/09/82/24/1026098224.db2.gz KYVNKPJZBLITEI-ZDUSSCGKSA-N 1 2 325.403 3.544 20 0 EHADLO C[C@@H](Cc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)C(F)(F)F ZINC000896822039 1026107366 /nfs/dbraw/zinc/10/73/66/1026107366.db2.gz YWQQOKMLPFQNLE-NSHDSACASA-N 1 2 336.317 3.587 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000657418184 1026144350 /nfs/dbraw/zinc/14/43/50/1026144350.db2.gz ADIQKAHJWBNELT-INIZCTEOSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000657418184 1026144357 /nfs/dbraw/zinc/14/43/57/1026144357.db2.gz ADIQKAHJWBNELT-INIZCTEOSA-N 1 2 336.357 3.703 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000530666008 1026183570 /nfs/dbraw/zinc/18/35/70/1026183570.db2.gz JBHGVZSHLGGCEZ-UHFFFAOYSA-N 1 2 326.440 3.588 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530666008 1026183576 /nfs/dbraw/zinc/18/35/76/1026183576.db2.gz JBHGVZSHLGGCEZ-UHFFFAOYSA-N 1 2 326.440 3.588 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000530666097 1026184133 /nfs/dbraw/zinc/18/41/33/1026184133.db2.gz VBNKKGWEEHPFQE-FQEVSTJZSA-N 1 2 340.467 3.728 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000530666097 1026184139 /nfs/dbraw/zinc/18/41/39/1026184139.db2.gz VBNKKGWEEHPFQE-FQEVSTJZSA-N 1 2 340.467 3.728 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000127641628 1026225073 /nfs/dbraw/zinc/22/50/73/1026225073.db2.gz JSTKXRQRJPWREI-GOEBONIOSA-N 1 2 344.434 3.732 20 0 EHADLO C[C@H]1CC2(CC(Nc3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)CO1 ZINC000897046783 1026265869 /nfs/dbraw/zinc/26/58/69/1026265869.db2.gz UVXMWXPYYSUKLJ-LRWYKZPYSA-N 1 2 326.375 3.620 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)c1ccc(F)cc1)C2 ZINC000475170328 1026289972 /nfs/dbraw/zinc/28/99/72/1026289972.db2.gz CHCNNGVJFTWGLC-HIFRSBDPSA-N 1 2 343.446 3.697 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)c1ccc(F)cc1)CC2 ZINC000475170328 1026289982 /nfs/dbraw/zinc/28/99/82/1026289982.db2.gz CHCNNGVJFTWGLC-HIFRSBDPSA-N 1 2 343.446 3.697 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c1C ZINC000582450564 1026298908 /nfs/dbraw/zinc/29/89/08/1026298908.db2.gz YEUMYUSHXZTXEW-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)c1C ZINC000582450564 1026298914 /nfs/dbraw/zinc/29/89/14/1026298914.db2.gz YEUMYUSHXZTXEW-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1ccc2ncc(-c3noc(-c4cccc(-n5cc[nH+]c5)c4)n3)n2c1 ZINC000347314053 1026301162 /nfs/dbraw/zinc/30/11/62/1026301162.db2.gz FGLJUGCYBLKTJN-UHFFFAOYSA-N 1 2 342.362 3.545 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(F)cc2)s1 ZINC000122212552 1026321634 /nfs/dbraw/zinc/32/16/34/1026321634.db2.gz GNFBBOIIYUBDAL-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)cc2)s1 ZINC000122212552 1026321644 /nfs/dbraw/zinc/32/16/44/1026321644.db2.gz GNFBBOIIYUBDAL-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000192752311 1026336380 /nfs/dbraw/zinc/33/63/80/1026336380.db2.gz HGXZZCVHHFNMRN-AWEZNQCLSA-N 1 2 327.428 3.872 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548738335 1026339415 /nfs/dbraw/zinc/33/94/15/1026339415.db2.gz HSFGGNJFRZNDEY-WFASDCNBSA-N 1 2 327.428 3.561 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451963250 1026398904 /nfs/dbraw/zinc/39/89/04/1026398904.db2.gz HGUOAXTZNVXDQE-WFASDCNBSA-N 1 2 327.519 3.603 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451963250 1026398915 /nfs/dbraw/zinc/39/89/15/1026398915.db2.gz HGUOAXTZNVXDQE-WFASDCNBSA-N 1 2 327.519 3.603 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)c1C ZINC000451962436 1026400107 /nfs/dbraw/zinc/40/01/07/1026400107.db2.gz FUTBDGZPBQWYQR-IFXJQAMLSA-N 1 2 348.512 3.624 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)c1C ZINC000451962436 1026400117 /nfs/dbraw/zinc/40/01/17/1026400117.db2.gz FUTBDGZPBQWYQR-IFXJQAMLSA-N 1 2 348.512 3.624 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@@]4(CCSC4)C3)nc(=O)c2c1C ZINC000451965212 1026401328 /nfs/dbraw/zinc/40/13/28/1026401328.db2.gz KDWCLLJJUWQLGH-QGZVFWFLSA-N 1 2 349.525 3.733 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@@]4(CCSC4)C3)nc(=O)c2c1C ZINC000451965212 1026401338 /nfs/dbraw/zinc/40/13/38/1026401338.db2.gz KDWCLLJJUWQLGH-QGZVFWFLSA-N 1 2 349.525 3.733 20 0 EHADLO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582488917 1026409600 /nfs/dbraw/zinc/40/96/00/1026409600.db2.gz XGNXIPRFRGAJLM-VXGBXAGGSA-N 1 2 340.254 3.888 20 0 EHADLO CSCCCCCCNC(=S)NCc1c[nH+]c(C)cc1C ZINC000840826223 1026411783 /nfs/dbraw/zinc/41/17/83/1026411783.db2.gz IISILVDRMGJKHS-UHFFFAOYSA-N 1 2 325.547 3.586 20 0 EHADLO Cc1ccc(SC2(C(=O)N3CC(n4cc[nH+]c4)C3)CCCC2)cc1 ZINC000530949488 1026440149 /nfs/dbraw/zinc/44/01/49/1026440149.db2.gz QUFJYXRMYGPYCL-UHFFFAOYSA-N 1 2 341.480 3.680 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000511149928 1026493981 /nfs/dbraw/zinc/49/39/81/1026493981.db2.gz KYFNWBIDJQEBID-UHFFFAOYSA-N 1 2 340.492 3.820 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000511149928 1026493988 /nfs/dbraw/zinc/49/39/88/1026493988.db2.gz KYFNWBIDJQEBID-UHFFFAOYSA-N 1 2 340.492 3.820 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCC[C@@H](NC2CC2)C(F)(F)F)c1 ZINC000897229543 1026530311 /nfs/dbraw/zinc/53/03/11/1026530311.db2.gz UVKPTQFAHLCIMH-SNVBAGLBSA-N 1 2 327.272 3.585 20 0 EHADLO COC(=O)C1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000159227192 1026560885 /nfs/dbraw/zinc/56/08/85/1026560885.db2.gz NQHOKBYODPGSGF-UHFFFAOYSA-N 1 2 335.753 3.744 20 0 EHADLO CC(C)c1cc(NC[C@@]2(c3cnn(C)c3)CCCO2)nc(C(C)C)[nH+]1 ZINC000897256476 1026590691 /nfs/dbraw/zinc/59/06/91/1026590691.db2.gz BSWDZJMOYBONCQ-LJQANCHMSA-N 1 2 343.475 3.575 20 0 EHADLO COCc1csc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000657473202 1026627121 /nfs/dbraw/zinc/62/71/21/1026627121.db2.gz HAOXUZMCHKQXHB-UHFFFAOYSA-N 1 2 334.363 3.926 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c(Cl)c1 ZINC000531143378 1026627614 /nfs/dbraw/zinc/62/76/14/1026627614.db2.gz AWXYZWRMVCWIDG-UHFFFAOYSA-N 1 2 332.831 3.733 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c(Cl)c1 ZINC000531143378 1026627629 /nfs/dbraw/zinc/62/76/29/1026627629.db2.gz AWXYZWRMVCWIDG-UHFFFAOYSA-N 1 2 332.831 3.733 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228652658 1026643809 /nfs/dbraw/zinc/64/38/09/1026643809.db2.gz AKOCPLICDOOPJX-BFQNTYOBSA-N 1 2 342.842 3.551 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228652658 1026643816 /nfs/dbraw/zinc/64/38/16/1026643816.db2.gz AKOCPLICDOOPJX-BFQNTYOBSA-N 1 2 342.842 3.551 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](c1ccccc1)C1CC1 ZINC000122687874 1026647788 /nfs/dbraw/zinc/64/77/88/1026647788.db2.gz HAQNINVRKUKBPT-OAQYLSRUSA-N 1 2 345.446 3.741 20 0 EHADLO CC[C@H](CC(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(OC)cc1 ZINC000452331918 1026664197 /nfs/dbraw/zinc/66/41/97/1026664197.db2.gz FYZFTZREZAUYGD-CQSZACIVSA-N 1 2 327.428 3.750 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cnnn2C)c2ccc(F)cc2Cl)cc1 ZINC000531191581 1026665035 /nfs/dbraw/zinc/66/50/35/1026665035.db2.gz QUGSMYGYJZGEPR-SFHVURJKSA-N 1 2 344.821 3.795 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452333863 1026666042 /nfs/dbraw/zinc/66/60/42/1026666042.db2.gz KZUZHBUBTKNHJF-UHFFFAOYSA-N 1 2 335.860 3.994 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1Cl ZINC000531204208 1026684491 /nfs/dbraw/zinc/68/44/91/1026684491.db2.gz GHKIVRGIQQRILW-BLLLJJGKSA-N 1 2 332.806 3.935 20 0 EHADLO O=C(CCCc1nc2ccccc2s1)Nc1c[nH+]c2n1CCCC2 ZINC000452335909 1026691169 /nfs/dbraw/zinc/69/11/69/1026691169.db2.gz SMMBOQLCDRVDKK-UHFFFAOYSA-N 1 2 340.452 3.791 20 0 EHADLO Cc1ccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000301120934 1026693111 /nfs/dbraw/zinc/69/31/11/1026693111.db2.gz NQPPDXBURVFAIL-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO C/C(=C\C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CC1 ZINC000728497899 1026719959 /nfs/dbraw/zinc/71/99/59/1026719959.db2.gz GRJVSWIOIGNGAR-FYWRMAATSA-N 1 2 349.438 3.618 20 0 EHADLO Cn1ncc(Cl)c1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277731098 1026720698 /nfs/dbraw/zinc/72/06/98/1026720698.db2.gz ORLGDBPZTLVBSN-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO COc1ncc([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1Cl ZINC000342687011 1026721710 /nfs/dbraw/zinc/72/17/10/1026721710.db2.gz HJNMCCVHVYPSEC-NSHDSACASA-N 1 2 330.819 3.779 20 0 EHADLO COc1ncc([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1Cl ZINC000342687011 1026721716 /nfs/dbraw/zinc/72/17/16/1026721716.db2.gz HJNMCCVHVYPSEC-NSHDSACASA-N 1 2 330.819 3.779 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452412153 1026733704 /nfs/dbraw/zinc/73/37/04/1026733704.db2.gz BQZYYGNAYWJGQQ-MJGOQNOKSA-N 1 2 325.456 3.878 20 0 EHADLO C[NH+](C)[C@H](CNc1ncnc2ccc(F)cc21)c1c(F)cccc1F ZINC000301244397 1026735220 /nfs/dbraw/zinc/73/52/20/1026735220.db2.gz AEIWOEDGCUPSOH-MRXNPFEDSA-N 1 2 346.356 3.762 20 0 EHADLO C[NH+](C)[C@@H](CNc1ncnc2ccc(F)cc21)c1c(F)cccc1F ZINC000301244394 1026735384 /nfs/dbraw/zinc/73/53/84/1026735384.db2.gz AEIWOEDGCUPSOH-INIZCTEOSA-N 1 2 346.356 3.762 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301242920 1026735656 /nfs/dbraw/zinc/73/56/56/1026735656.db2.gz ABLDWDNEPNKTPP-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301242920 1026735669 /nfs/dbraw/zinc/73/56/69/1026735669.db2.gz ABLDWDNEPNKTPP-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO Fc1cc(CNc2ccc(Br)cn2)ccc1-n1cc[nH+]c1 ZINC000301370785 1026779595 /nfs/dbraw/zinc/77/95/95/1026779595.db2.gz PYNWGTMBBHNWGJ-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C(C)(C)c2cccc3ccccc32)n1 ZINC000560343877 1026805185 /nfs/dbraw/zinc/80/51/85/1026805185.db2.gz QWOHJODLDJWYBQ-UHFFFAOYSA-N 1 2 332.407 3.873 20 0 EHADLO COc1cccc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301525939 1026839267 /nfs/dbraw/zinc/83/92/67/1026839267.db2.gz NECBYNVFTBBZLY-GOSISDBHSA-N 1 2 338.455 3.817 20 0 EHADLO COc1cccc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301525939 1026839280 /nfs/dbraw/zinc/83/92/80/1026839280.db2.gz NECBYNVFTBBZLY-GOSISDBHSA-N 1 2 338.455 3.817 20 0 EHADLO Cc1nc(NCc2cccc(Cn3cccn3)c2)c2c([nH+]1)CCCC2 ZINC000301557653 1026852387 /nfs/dbraw/zinc/85/23/87/1026852387.db2.gz JEIQDWKQQQTPKZ-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000452586993 1026856276 /nfs/dbraw/zinc/85/62/76/1026856276.db2.gz FPPZNLDAHUWMMQ-CXAGYDPISA-N 1 2 347.821 3.506 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3nc(C4CC4)ns3)CC2)cc1 ZINC000301593982 1026867103 /nfs/dbraw/zinc/86/71/03/1026867103.db2.gz YHWVHRILPRFXKE-UHFFFAOYSA-N 1 2 343.500 3.562 20 0 EHADLO Cc1cc[nH+]c(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000301635411 1026883227 /nfs/dbraw/zinc/88/32/27/1026883227.db2.gz KPKNUOLZTMCIKP-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO O=C(NC1CC[NH+](Cc2nc(C3CC3)cs2)CC1)C1CCCCC1 ZINC000342739136 1026913775 /nfs/dbraw/zinc/91/37/75/1026913775.db2.gz SJENBLIDOIKCTJ-UHFFFAOYSA-N 1 2 347.528 3.681 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000582679081 1026916981 /nfs/dbraw/zinc/91/69/81/1026916981.db2.gz QVVAAVIHIUQBQT-JTQLQIEISA-N 1 2 340.595 3.916 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000582679081 1026916985 /nfs/dbraw/zinc/91/69/85/1026916985.db2.gz QVVAAVIHIUQBQT-JTQLQIEISA-N 1 2 340.595 3.916 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000342744286 1026923289 /nfs/dbraw/zinc/92/32/89/1026923289.db2.gz XSEHFCYZZPKZPV-UHFFFAOYSA-N 1 2 332.419 3.787 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000342744286 1026923297 /nfs/dbraw/zinc/92/32/97/1026923297.db2.gz XSEHFCYZZPKZPV-UHFFFAOYSA-N 1 2 332.419 3.787 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCCCC3CCOCC3)CCO2)c(F)c1 ZINC000531479148 1026949196 /nfs/dbraw/zinc/94/91/96/1026949196.db2.gz NHZFWBJETDNKIL-LJQANCHMSA-N 1 2 339.426 3.935 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)c(F)c1 ZINC000531479148 1026949198 /nfs/dbraw/zinc/94/91/98/1026949198.db2.gz NHZFWBJETDNKIL-LJQANCHMSA-N 1 2 339.426 3.935 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666003270 1026962761 /nfs/dbraw/zinc/96/27/61/1026962761.db2.gz BJPXRNAGKBAGBD-HNAYVOBHSA-N 1 2 345.487 3.636 20 0 EHADLO COc1ccc([C@H](C)N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301854399 1026965595 /nfs/dbraw/zinc/96/55/95/1026965595.db2.gz BNONIZBLJLQPSZ-ZDUSSCGKSA-N 1 2 339.443 3.787 20 0 EHADLO COc1cc(Cl)ccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301862356 1026968962 /nfs/dbraw/zinc/96/89/62/1026968962.db2.gz DZUBABUNELKENG-UHFFFAOYSA-N 1 2 345.834 3.855 20 0 EHADLO CCN(Cc1c(F)cccc1F)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301868428 1026970721 /nfs/dbraw/zinc/97/07/21/1026970721.db2.gz GQEGGMKELQQJCY-UHFFFAOYSA-N 1 2 345.397 3.886 20 0 EHADLO Nc1nc(NCc2cccc(NC(=O)C3CCC3)c2)[nH+]c2ccccc12 ZINC000301866087 1026971503 /nfs/dbraw/zinc/97/15/03/1026971503.db2.gz HGYIHMNYKGCBGS-UHFFFAOYSA-N 1 2 347.422 3.563 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000301890064 1026981002 /nfs/dbraw/zinc/98/10/02/1026981002.db2.gz NRYLRVGRABJWHB-LLVKDONJSA-N 1 2 335.415 3.631 20 0 EHADLO CN(CCc1ccc(Cl)cc1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301900332 1026987076 /nfs/dbraw/zinc/98/70/76/1026987076.db2.gz UQMAWZNSWICHRB-UHFFFAOYSA-N 1 2 343.862 3.914 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)n2)c(F)c1 ZINC000582701443 1026990774 /nfs/dbraw/zinc/99/07/74/1026990774.db2.gz SYVBTAYPKIDRQH-IBGZPJMESA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)n2)c(F)c1 ZINC000582701443 1026990782 /nfs/dbraw/zinc/99/07/82/1026990782.db2.gz SYVBTAYPKIDRQH-IBGZPJMESA-N 1 2 340.377 3.883 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000626101160 1026991185 /nfs/dbraw/zinc/99/11/85/1026991185.db2.gz JZLRYBOMUDSLMI-INIZCTEOSA-N 1 2 342.270 3.984 20 0 EHADLO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)nc(-c2ccncc2)n1 ZINC000301984651 1027015249 /nfs/dbraw/zinc/01/52/49/1027015249.db2.gz IYUZBWAOCHKMMA-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO Cc1nc(NC[C@H](O)c2cccc(OC(C)C)c2)c2c([nH+]1)CCCC2 ZINC000302055916 1027037311 /nfs/dbraw/zinc/03/73/11/1027037311.db2.gz QNBXECDEGBMYLM-IBGZPJMESA-N 1 2 341.455 3.597 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000302117653 1027058055 /nfs/dbraw/zinc/05/80/55/1027058055.db2.gz SESJREOUPRFRHJ-YLJYHZDGSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000302117653 1027058060 /nfs/dbraw/zinc/05/80/60/1027058060.db2.gz SESJREOUPRFRHJ-YLJYHZDGSA-N 1 2 340.471 3.637 20 0 EHADLO Cc1csc([C@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000302122425 1027059890 /nfs/dbraw/zinc/05/98/90/1027059890.db2.gz GSFFSARHHGOTLW-SNVBAGLBSA-N 1 2 330.461 3.562 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000125569309 1027093079 /nfs/dbraw/zinc/09/30/79/1027093079.db2.gz WIXJCTYFVVLMBC-NRFANRHFSA-N 1 2 345.446 3.663 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000125642385 1027103907 /nfs/dbraw/zinc/10/39/07/1027103907.db2.gz MKZUQABEWSBPHW-YQQAZPJKSA-N 1 2 337.423 3.843 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000452946928 1027140546 /nfs/dbraw/zinc/14/05/46/1027140546.db2.gz VMMJCXCOKUYCKH-IBGZPJMESA-N 1 2 338.451 3.637 20 0 EHADLO CC[C@]1(CO)CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302398812 1027140728 /nfs/dbraw/zinc/14/07/28/1027140728.db2.gz JNKJEHCUSVRRJN-KRWDZBQOSA-N 1 2 349.272 3.986 20 0 EHADLO COc1cccc2c(N3CC[C@H](Cc4nccs4)C3)cc[nH+]c12 ZINC000897285369 1027142669 /nfs/dbraw/zinc/14/26/69/1027142669.db2.gz WNSNQVDQDFMXSK-CYBMUJFWSA-N 1 2 325.437 3.769 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1OC ZINC000125991351 1027146252 /nfs/dbraw/zinc/14/62/52/1027146252.db2.gz WDGMZBLRQCRAJG-NVXWUHKLSA-N 1 2 332.831 3.616 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534116 1027146690 /nfs/dbraw/zinc/14/66/90/1027146690.db2.gz JZABCVBGOQFKFD-OLZOCXBDSA-N 1 2 349.887 3.950 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459267677 1027157468 /nfs/dbraw/zinc/15/74/68/1027157468.db2.gz DIJWKSYTEVQUKH-PKOBYXMFSA-N 1 2 332.492 3.520 20 0 EHADLO C[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1cccc2ccccc21 ZINC000075639895 1027184487 /nfs/dbraw/zinc/18/44/87/1027184487.db2.gz YNUNRSGZDWZVEF-UHFFFAOYSA-N 1 2 335.329 3.960 20 0 EHADLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1cccc2ccccc21 ZINC000075639895 1027184497 /nfs/dbraw/zinc/18/44/97/1027184497.db2.gz YNUNRSGZDWZVEF-UHFFFAOYSA-N 1 2 335.329 3.960 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CCO2)c1 ZINC000126329963 1027190664 /nfs/dbraw/zinc/19/06/64/1027190664.db2.gz TVNTZSCGRYWGQD-LJQANCHMSA-N 1 2 338.382 3.653 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CCO2)c1 ZINC000126329963 1027190676 /nfs/dbraw/zinc/19/06/76/1027190676.db2.gz TVNTZSCGRYWGQD-LJQANCHMSA-N 1 2 338.382 3.653 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnn1C1CCCC1 ZINC000531691740 1027210108 /nfs/dbraw/zinc/21/01/08/1027210108.db2.gz PXTKPPKLGBQGGL-UHFFFAOYSA-N 1 2 339.374 3.575 20 0 EHADLO CCc1nc(Cl)c(C)c(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000302613775 1027212080 /nfs/dbraw/zinc/21/20/80/1027212080.db2.gz BZKCHPLXLXABHO-UHFFFAOYSA-N 1 2 327.819 3.799 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959597 1027213084 /nfs/dbraw/zinc/21/30/84/1027213084.db2.gz AFRUNKMKIHDEHF-GFCCVEGCSA-N 1 2 345.472 3.547 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959753 1027213482 /nfs/dbraw/zinc/21/34/82/1027213482.db2.gz JNTWVIJRQUQKKM-LBPRGKRZSA-N 1 2 348.834 3.792 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076052538 1027231032 /nfs/dbraw/zinc/23/10/32/1027231032.db2.gz LDGMZUBAKUWTER-SJORKVTESA-N 1 2 326.444 3.840 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273027190 1027232555 /nfs/dbraw/zinc/23/25/55/1027232555.db2.gz DRLRVGQYVUQFNG-UHFFFAOYSA-N 1 2 347.488 3.941 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000841694333 1027247175 /nfs/dbraw/zinc/24/71/75/1027247175.db2.gz XBCLEPGCQOONJC-LSDHHAIUSA-N 1 2 347.532 3.981 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000841694333 1027247192 /nfs/dbraw/zinc/24/71/92/1027247192.db2.gz XBCLEPGCQOONJC-LSDHHAIUSA-N 1 2 347.532 3.981 20 0 EHADLO CC1(C)CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000302711397 1027251575 /nfs/dbraw/zinc/25/15/75/1027251575.db2.gz KUBXZIYYPTVRHR-ZDUSSCGKSA-N 1 2 342.409 3.882 20 0 EHADLO CC1(C)CN(c2cc(N3CCCCC3)nc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000302711397 1027251586 /nfs/dbraw/zinc/25/15/86/1027251586.db2.gz KUBXZIYYPTVRHR-ZDUSSCGKSA-N 1 2 342.409 3.882 20 0 EHADLO CN(C(=O)C[N@@H+]1CC[C@](C)(F)C1)C(c1ccccc1)c1ccccc1 ZINC000501415858 1027256924 /nfs/dbraw/zinc/25/69/24/1027256924.db2.gz GBKKAFMGEUZBOG-NRFANRHFSA-N 1 2 340.442 3.668 20 0 EHADLO CN(C(=O)C[N@H+]1CC[C@](C)(F)C1)C(c1ccccc1)c1ccccc1 ZINC000501415858 1027256940 /nfs/dbraw/zinc/25/69/40/1027256940.db2.gz GBKKAFMGEUZBOG-NRFANRHFSA-N 1 2 340.442 3.668 20 0 EHADLO CC(C)c1csc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000076340723 1027274067 /nfs/dbraw/zinc/27/40/67/1027274067.db2.gz DRVYMJBNLVJDEY-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1c(F)cccc1F ZINC000127119701 1027275518 /nfs/dbraw/zinc/27/55/18/1027275518.db2.gz KAVINIOLYTUYJP-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1c(F)cccc1F ZINC000127119701 1027275531 /nfs/dbraw/zinc/27/55/31/1027275531.db2.gz KAVINIOLYTUYJP-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2ncc(Cl)n2C)c2ccccn2)cc1 ZINC000273181375 1027297754 /nfs/dbraw/zinc/29/77/54/1027297754.db2.gz JJKKQNFKQFJNOR-QGZVFWFLSA-N 1 2 340.858 3.851 20 0 EHADLO CCOc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccc1OCC(C)C ZINC000657568693 1027329234 /nfs/dbraw/zinc/32/92/34/1027329234.db2.gz KUFOMCJMZXTICR-HOCLYGCPSA-N 1 2 344.459 3.507 20 0 EHADLO COCC[C@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccco1 ZINC000273255064 1027338717 /nfs/dbraw/zinc/33/87/17/1027338717.db2.gz JXXHPNKKLYKEJC-KRWDZBQOSA-N 1 2 342.395 3.811 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302886812 1027343145 /nfs/dbraw/zinc/34/31/45/1027343145.db2.gz LPKIHCKREXOPIE-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302886812 1027343153 /nfs/dbraw/zinc/34/31/53/1027343153.db2.gz LPKIHCKREXOPIE-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)CCCOCc2ccccc2)cs1 ZINC000273284783 1027359000 /nfs/dbraw/zinc/35/90/00/1027359000.db2.gz JMSMHKCCPOILIP-OAHLLOKOSA-N 1 2 334.485 3.889 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)CCCOCc2ccccc2)cs1 ZINC000273284783 1027359024 /nfs/dbraw/zinc/35/90/24/1027359024.db2.gz JMSMHKCCPOILIP-OAHLLOKOSA-N 1 2 334.485 3.889 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045953039 1027370708 /nfs/dbraw/zinc/37/07/08/1027370708.db2.gz LHKUGCPMOPCARI-UHFFFAOYSA-N 1 2 330.819 3.526 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000414444115 1027377410 /nfs/dbraw/zinc/37/74/10/1027377410.db2.gz UBUDZZAIHIRHDP-IBGZPJMESA-N 1 2 339.418 3.770 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000414444115 1027377423 /nfs/dbraw/zinc/37/74/23/1027377423.db2.gz UBUDZZAIHIRHDP-IBGZPJMESA-N 1 2 339.418 3.770 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000501602197 1027385909 /nfs/dbraw/zinc/38/59/09/1027385909.db2.gz HQLUPHKQQZGIFF-WFUMWBPUSA-N 1 2 342.527 3.913 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446154 1027396666 /nfs/dbraw/zinc/39/66/66/1027396666.db2.gz OCMHJQDNHZTFDJ-HOCLYGCPSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446154 1027396672 /nfs/dbraw/zinc/39/66/72/1027396672.db2.gz OCMHJQDNHZTFDJ-HOCLYGCPSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1cc(N[C@H]2CC(C)(C)Oc3ccc(N)cc32)nc(C(C)C)[nH+]1 ZINC000420263967 1027424291 /nfs/dbraw/zinc/42/42/91/1027424291.db2.gz UGUBYSANCBRFCG-HNNXBMFYSA-N 1 2 326.444 3.627 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC(c2ccccc2)C1 ZINC000077416649 1027439789 /nfs/dbraw/zinc/43/97/89/1027439789.db2.gz BLVKQKCSSYTXHM-UHFFFAOYSA-N 1 2 346.434 3.618 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cc2ccccc2nc1OC ZINC000657587153 1027535491 /nfs/dbraw/zinc/53/54/91/1027535491.db2.gz RVWPOXSKBYSCBO-UHFFFAOYSA-N 1 2 338.407 3.550 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(CCOCC2CCCC2)CC1 ZINC000459313578 1027539847 /nfs/dbraw/zinc/53/98/47/1027539847.db2.gz POBKEIZZLUEFQB-IZZDOVSWSA-N 1 2 328.500 3.524 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000665773684 1027566326 /nfs/dbraw/zinc/56/63/26/1027566326.db2.gz KHSQCBAWBIZQIG-GOSISDBHSA-N 1 2 348.450 3.891 20 0 EHADLO O=C(COc1cc[nH+]cc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000431484979 1027585342 /nfs/dbraw/zinc/58/53/42/1027585342.db2.gz GBPKARRUCXWYSV-OAQYLSRUSA-N 1 2 344.414 3.635 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccccc2F)C(C)C)cc(C)[nH+]1 ZINC000422202403 1027633680 /nfs/dbraw/zinc/63/36/80/1027633680.db2.gz HONWAAVQRBACOD-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)n1C ZINC000414462050 1027634955 /nfs/dbraw/zinc/63/49/55/1027634955.db2.gz LUSDPNYWLOAYNE-CQSZACIVSA-N 1 2 340.471 3.521 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000130190480 1027643882 /nfs/dbraw/zinc/64/38/82/1027643882.db2.gz JCNWTRYBIVMBDG-LSDHHAIUSA-N 1 2 346.471 3.896 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130277236 1027652919 /nfs/dbraw/zinc/65/29/19/1027652919.db2.gz ZWIKPPJEBBJVHU-OAHLLOKOSA-N 1 2 329.403 3.655 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc(C)[nH+]1 ZINC000422218413 1027654578 /nfs/dbraw/zinc/65/45/78/1027654578.db2.gz YBAPRYVDUWVRFE-GASCZTMLSA-N 1 2 343.393 3.961 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C)CCCC3)n2)C1 ZINC000503206380 1027656800 /nfs/dbraw/zinc/65/68/00/1027656800.db2.gz FWCYMHBUQQCWLC-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C)CCCC3)n2)C1 ZINC000503206380 1027656809 /nfs/dbraw/zinc/65/68/09/1027656809.db2.gz FWCYMHBUQQCWLC-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H]([C@H]4CCOC4)C3)cc[nH+]c12 ZINC000501958978 1027667620 /nfs/dbraw/zinc/66/76/20/1027667620.db2.gz ROWOYLSGMNLTQM-HOTGVXAUSA-N 1 2 326.440 3.886 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H]3CCCc4c(Cl)ccnc43)cn2c1 ZINC000924951146 1027676265 /nfs/dbraw/zinc/67/62/65/1027676265.db2.gz RBAVCTPUYFQWEP-INIZCTEOSA-N 1 2 326.831 3.858 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000130839422 1027707485 /nfs/dbraw/zinc/70/74/85/1027707485.db2.gz UHDYICPPKNZFQV-CQSZACIVSA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000130839422 1027707503 /nfs/dbraw/zinc/70/75/03/1027707503.db2.gz UHDYICPPKNZFQV-CQSZACIVSA-N 1 2 337.533 3.798 20 0 EHADLO COC(=O)c1cc(Cl)nc(Cl)c1Nc1ccn2cc[nH+]c2c1 ZINC001204959254 1027708173 /nfs/dbraw/zinc/70/81/73/1027708173.db2.gz JOLTWZRBZRCSQB-UHFFFAOYSA-N 1 2 337.166 3.566 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCOCC12CCCC2 ZINC000459337957 1027719272 /nfs/dbraw/zinc/71/92/72/1027719272.db2.gz JVYGCNKGRNYKSK-UHFFFAOYSA-N 1 2 331.485 3.727 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCOCC12CCCC2 ZINC000459337957 1027719286 /nfs/dbraw/zinc/71/92/86/1027719286.db2.gz JVYGCNKGRNYKSK-UHFFFAOYSA-N 1 2 331.485 3.727 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccccc2OCC(C)C)cc(C)[nH+]1 ZINC000420777440 1027722980 /nfs/dbraw/zinc/72/29/80/1027722980.db2.gz HQJSJTLHBNWYSL-UHFFFAOYSA-N 1 2 341.455 3.733 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000347332614 1027740977 /nfs/dbraw/zinc/74/09/77/1027740977.db2.gz CFBZNWYCGZQAIU-RHSMWYFYSA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000347332614 1027740991 /nfs/dbraw/zinc/74/09/91/1027740991.db2.gz CFBZNWYCGZQAIU-RHSMWYFYSA-N 1 2 334.485 3.624 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000503366752 1027745423 /nfs/dbraw/zinc/74/54/23/1027745423.db2.gz KCLIOEJZTHCXLT-ACJLOTCBSA-N 1 2 330.863 3.683 20 0 EHADLO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nccn1C(F)F)c1ccco1 ZINC000305026906 1027781418 /nfs/dbraw/zinc/78/14/18/1027781418.db2.gz GZMXORJWYGIJRR-KBPBESRZSA-N 1 2 339.386 3.740 20 0 EHADLO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nccn1C(F)F)c1ccco1 ZINC000305026906 1027781434 /nfs/dbraw/zinc/78/14/34/1027781434.db2.gz GZMXORJWYGIJRR-KBPBESRZSA-N 1 2 339.386 3.740 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420853806 1027797105 /nfs/dbraw/zinc/79/71/05/1027797105.db2.gz VAROXSAJWDHMGX-SFHVURJKSA-N 1 2 341.455 4.000 20 0 EHADLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131777905 1027817671 /nfs/dbraw/zinc/81/76/71/1027817671.db2.gz NQEHXCICPXBDSD-QUCCMNQESA-N 1 2 347.418 3.522 20 0 EHADLO Oc1cccc(CN2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000582812833 1027818316 /nfs/dbraw/zinc/81/83/16/1027818316.db2.gz YGYFXKVDWTYOHT-RQOWECAXSA-N 1 2 344.405 3.501 20 0 EHADLO CC[C@@H](C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000420869626 1027830976 /nfs/dbraw/zinc/83/09/76/1027830976.db2.gz FYLADXPVGDRSPG-KDOFPFPSSA-N 1 2 328.460 3.587 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940571 1027893354 /nfs/dbraw/zinc/89/33/54/1027893354.db2.gz DPXGKWYQWNWPNY-QWHCGFSZSA-N 1 2 349.418 3.816 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940571 1027893376 /nfs/dbraw/zinc/89/33/76/1027893376.db2.gz DPXGKWYQWNWPNY-QWHCGFSZSA-N 1 2 349.418 3.816 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000420954790 1027920497 /nfs/dbraw/zinc/92/04/97/1027920497.db2.gz VGABECSJTHBNGY-LLVKDONJSA-N 1 2 334.769 3.943 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000420954790 1027920510 /nfs/dbraw/zinc/92/05/10/1027920510.db2.gz VGABECSJTHBNGY-LLVKDONJSA-N 1 2 334.769 3.943 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000420956753 1027925681 /nfs/dbraw/zinc/92/56/81/1027925681.db2.gz YYXFBGSBKNMRKZ-SNVBAGLBSA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000420956753 1027925686 /nfs/dbraw/zinc/92/56/86/1027925686.db2.gz YYXFBGSBKNMRKZ-SNVBAGLBSA-N 1 2 331.363 3.963 20 0 EHADLO CC[N@H+](CCOc1ccccc1C)Cc1nccn1CC(F)(F)F ZINC000420974093 1027952294 /nfs/dbraw/zinc/95/22/94/1027952294.db2.gz OBTQYUVHSFQXKA-UHFFFAOYSA-N 1 2 341.377 3.655 20 0 EHADLO CC[N@@H+](CCOc1ccccc1C)Cc1nccn1CC(F)(F)F ZINC000420974093 1027952313 /nfs/dbraw/zinc/95/23/13/1027952313.db2.gz OBTQYUVHSFQXKA-UHFFFAOYSA-N 1 2 341.377 3.655 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)c[nH+]1 ZINC000536620593 1027963821 /nfs/dbraw/zinc/96/38/21/1027963821.db2.gz AINDSRVHFWZONF-NHYWBVRUSA-N 1 2 333.794 3.590 20 0 EHADLO CCCOc1cccc2c(N[C@H]3CCOC[C@@H]3OCC)cc[nH+]c12 ZINC000503601470 1027965142 /nfs/dbraw/zinc/96/51/42/1027965142.db2.gz GATDICBRXZCIFU-WMZOPIPTSA-N 1 2 330.428 3.630 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000120322010 1027991028 /nfs/dbraw/zinc/99/10/28/1027991028.db2.gz CVCPBFBWNKLGMD-UHFFFAOYSA-N 1 2 347.871 3.887 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000120322010 1027991044 /nfs/dbraw/zinc/99/10/44/1027991044.db2.gz CVCPBFBWNKLGMD-UHFFFAOYSA-N 1 2 347.871 3.887 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434139000 1028005995 /nfs/dbraw/zinc/00/59/95/1028005995.db2.gz UBTYZIBZCHNMLY-GJZGRUSLSA-N 1 2 332.492 3.543 20 0 EHADLO CCN(Cc1ccccc1NCc1ccc(-n2cc[nH+]c2)cc1)C(C)=O ZINC000121462172 1028009274 /nfs/dbraw/zinc/00/92/74/1028009274.db2.gz VYJGWQAWBNTNEJ-UHFFFAOYSA-N 1 2 348.450 3.853 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1Cl)CC1CC1)NCc1cccs1 ZINC000503657170 1028009701 /nfs/dbraw/zinc/00/97/01/1028009701.db2.gz BHLRALBSARKXNS-UHFFFAOYSA-N 1 2 348.899 3.930 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1Cl)CC1CC1)NCc1cccs1 ZINC000503657170 1028009712 /nfs/dbraw/zinc/00/97/12/1028009712.db2.gz BHLRALBSARKXNS-UHFFFAOYSA-N 1 2 348.899 3.930 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnnn1-c1ccccc1 ZINC000051562985 1028032779 /nfs/dbraw/zinc/03/27/79/1028032779.db2.gz AGAYRLGOWOROHI-QWHCGFSZSA-N 1 2 327.819 3.728 20 0 EHADLO CC(C)(C)C1CC(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000457486737 1028044941 /nfs/dbraw/zinc/04/49/41/1028044941.db2.gz ZMDUBEFSZBVNLU-UHFFFAOYSA-N 1 2 330.472 3.530 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000342910863 1028071821 /nfs/dbraw/zinc/07/18/21/1028071821.db2.gz JFIBOWRNZIODHC-QGZVFWFLSA-N 1 2 346.496 3.513 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000342910863 1028071839 /nfs/dbraw/zinc/07/18/39/1028071839.db2.gz JFIBOWRNZIODHC-QGZVFWFLSA-N 1 2 346.496 3.513 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000444606329 1028072571 /nfs/dbraw/zinc/07/25/71/1028072571.db2.gz FXCSQTVIFLVVBG-GFCCVEGCSA-N 1 2 326.375 3.684 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1cnc(OC)c(Cl)c1)C2 ZINC000533558880 1028080617 /nfs/dbraw/zinc/08/06/17/1028080617.db2.gz RLXFYAJQMZYVBV-UHFFFAOYSA-N 1 2 332.831 3.701 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1cnc(OC)c(Cl)c1)C2 ZINC000533558880 1028080632 /nfs/dbraw/zinc/08/06/32/1028080632.db2.gz RLXFYAJQMZYVBV-UHFFFAOYSA-N 1 2 332.831 3.701 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(Cl)cn3)CC2)cc1 ZINC000078669353 1028087118 /nfs/dbraw/zinc/08/71/18/1028087118.db2.gz VLWUQBVHAAIJQC-UHFFFAOYSA-N 1 2 330.863 3.882 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444663491 1028134092 /nfs/dbraw/zinc/13/40/92/1028134092.db2.gz PATLDYOOVJPLTR-NVXWUHKLSA-N 1 2 343.858 3.853 20 0 EHADLO CC(C)COc1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414504141 1028154111 /nfs/dbraw/zinc/15/41/11/1028154111.db2.gz JRWULJZBXLFPDH-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000120847373 1028167850 /nfs/dbraw/zinc/16/78/50/1028167850.db2.gz AWZPKKWNRNZZJH-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697390 1028173012 /nfs/dbraw/zinc/17/30/12/1028173012.db2.gz XZIPZXJGVHMVNZ-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697390 1028173021 /nfs/dbraw/zinc/17/30/21/1028173021.db2.gz XZIPZXJGVHMVNZ-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698562 1028173624 /nfs/dbraw/zinc/17/36/24/1028173624.db2.gz MEURQVPFZPHJBS-KZULUSFZSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698562 1028173628 /nfs/dbraw/zinc/17/36/28/1028173628.db2.gz MEURQVPFZPHJBS-KZULUSFZSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)sc1C ZINC000533608143 1028176205 /nfs/dbraw/zinc/17/62/05/1028176205.db2.gz WSHUYYVVDCXUNM-GFCCVEGCSA-N 1 2 337.439 3.921 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000425724639 1028182184 /nfs/dbraw/zinc/18/21/84/1028182184.db2.gz ZDEDGWWISNSUFU-UHFFFAOYSA-N 1 2 348.834 3.621 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000425724639 1028182196 /nfs/dbraw/zinc/18/21/96/1028182196.db2.gz ZDEDGWWISNSUFU-UHFFFAOYSA-N 1 2 348.834 3.621 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444706606 1028182813 /nfs/dbraw/zinc/18/28/13/1028182813.db2.gz NWNJNZOOGYEFKF-AWEZNQCLSA-N 1 2 332.394 3.838 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444706606 1028182824 /nfs/dbraw/zinc/18/28/24/1028182824.db2.gz NWNJNZOOGYEFKF-AWEZNQCLSA-N 1 2 332.394 3.838 20 0 EHADLO Cc1cc(C)cc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000444707035 1028184031 /nfs/dbraw/zinc/18/40/31/1028184031.db2.gz XKTVQNOQYUMBCU-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO Cc1cc(C)cc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000444707035 1028184039 /nfs/dbraw/zinc/18/40/39/1028184039.db2.gz XKTVQNOQYUMBCU-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943893 1028205042 /nfs/dbraw/zinc/20/50/42/1028205042.db2.gz GWKVFOYACGUVJY-ZIAGYGMSSA-N 1 2 333.457 3.578 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943893 1028205062 /nfs/dbraw/zinc/20/50/62/1028205062.db2.gz GWKVFOYACGUVJY-ZIAGYGMSSA-N 1 2 333.457 3.578 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3nccc(C(F)(F)F)n3)cc2c1C ZINC000414506938 1028206409 /nfs/dbraw/zinc/20/64/09/1028206409.db2.gz OZBCHJOAWNHECR-UHFFFAOYSA-N 1 2 334.345 3.883 20 0 EHADLO COc1cccc(C2(NC(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC000455473825 1028208083 /nfs/dbraw/zinc/20/80/83/1028208083.db2.gz CMIBGCOGHZWVJR-UHFFFAOYSA-N 1 2 325.412 3.826 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726013 1028217155 /nfs/dbraw/zinc/21/71/55/1028217155.db2.gz IAJRJLFQTDOGTD-JSGCOSHPSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726013 1028217164 /nfs/dbraw/zinc/21/71/64/1028217164.db2.gz IAJRJLFQTDOGTD-JSGCOSHPSA-N 1 2 348.434 3.936 20 0 EHADLO CCO[C@@H]1C[C@]([NH2+]CC[C@@H]2CCC[C@H](C)C2)(C(=O)OC)C1(C)C ZINC000444758952 1028219674 /nfs/dbraw/zinc/21/96/74/1028219674.db2.gz GXCICDLVIKEEBM-GGXPGOJBSA-N 1 2 325.493 3.539 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000502453414 1028221231 /nfs/dbraw/zinc/22/12/31/1028221231.db2.gz ZUBUZENFWWFIRO-INIZCTEOSA-N 1 2 339.782 3.672 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)Cc2cnc(C(C)C)nc2)c(C)[nH+]1 ZINC000455493815 1028225491 /nfs/dbraw/zinc/22/54/91/1028225491.db2.gz CYDHRSGLEBBCGK-UHFFFAOYSA-N 1 2 327.432 3.584 20 0 EHADLO COC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000455497006 1028232407 /nfs/dbraw/zinc/23/24/07/1028232407.db2.gz PKYUKTRLWUOTLA-MRXNPFEDSA-N 1 2 331.391 3.655 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000444748296 1028236161 /nfs/dbraw/zinc/23/61/61/1028236161.db2.gz PFLOMNFUAYQIMZ-CYBMUJFWSA-N 1 2 339.277 3.756 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000444748296 1028236179 /nfs/dbraw/zinc/23/61/79/1028236179.db2.gz PFLOMNFUAYQIMZ-CYBMUJFWSA-N 1 2 339.277 3.756 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)Oc2ccc(F)cc2)c(C)[nH+]1 ZINC000455498577 1028238314 /nfs/dbraw/zinc/23/83/14/1028238314.db2.gz ROAWWJPOJFWPIM-ZDUSSCGKSA-N 1 2 331.391 3.735 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(F)F ZINC000454273519 1028247403 /nfs/dbraw/zinc/24/74/03/1028247403.db2.gz HCMIVHCWBQYVBP-JQWIXIFHSA-N 1 2 346.447 3.540 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(F)F ZINC000454273519 1028247419 /nfs/dbraw/zinc/24/74/19/1028247419.db2.gz HCMIVHCWBQYVBP-JQWIXIFHSA-N 1 2 346.447 3.540 20 0 EHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000136361570 1028249614 /nfs/dbraw/zinc/24/96/14/1028249614.db2.gz CAIKXZDVZWBGRF-OAHLLOKOSA-N 1 2 344.484 3.512 20 0 EHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000136361570 1028249630 /nfs/dbraw/zinc/24/96/30/1028249630.db2.gz CAIKXZDVZWBGRF-OAHLLOKOSA-N 1 2 344.484 3.512 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(Br)s2)n1C ZINC000444765524 1028249725 /nfs/dbraw/zinc/24/97/25/1028249725.db2.gz JOJREXJTWFJBNX-VIFPVBQESA-N 1 2 343.294 3.613 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421319223 1028261002 /nfs/dbraw/zinc/26/10/02/1028261002.db2.gz LEBNTQNACUJENS-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000055696195 1028284043 /nfs/dbraw/zinc/28/40/43/1028284043.db2.gz XHMHCMXSCAMAIN-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO Brc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000685053316 1028285666 /nfs/dbraw/zinc/28/56/66/1028285666.db2.gz CCTWALKYJLWZRG-UHFFFAOYSA-N 1 2 346.224 3.823 20 0 EHADLO Brc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000685053316 1028285684 /nfs/dbraw/zinc/28/56/84/1028285684.db2.gz CCTWALKYJLWZRG-UHFFFAOYSA-N 1 2 346.224 3.823 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3cccs3)CC2)s1 ZINC000523398409 1028286979 /nfs/dbraw/zinc/28/69/79/1028286979.db2.gz PAKBJARFDBVEHH-AWEZNQCLSA-N 1 2 348.537 3.820 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)nn1C ZINC000421334183 1028304424 /nfs/dbraw/zinc/30/44/24/1028304424.db2.gz YXVKSOAGWANICL-UHFFFAOYSA-N 1 2 343.862 3.638 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682832 1028312849 /nfs/dbraw/zinc/31/28/49/1028312849.db2.gz NISDXDUHHAYBHT-RDJZCZTQSA-N 1 2 326.843 3.777 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682832 1028312865 /nfs/dbraw/zinc/31/28/65/1028312865.db2.gz NISDXDUHHAYBHT-RDJZCZTQSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@@H](c1nnc(SCCF)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000078924134 1028316592 /nfs/dbraw/zinc/31/65/92/1028316592.db2.gz PKFJOJRLWNTEOH-JTQLQIEISA-N 1 2 328.844 3.605 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1nc2ccccc2s1 ZINC000056516489 1028328205 /nfs/dbraw/zinc/32/82/05/1028328205.db2.gz KJPRAZHQSJPXMR-UHFFFAOYSA-N 1 2 349.419 3.804 20 0 EHADLO C[C@H]([NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)c1cnnn1C ZINC000926439585 1028340200 /nfs/dbraw/zinc/34/02/00/1028340200.db2.gz JKZYMISUQGFWBJ-VFZGTOFNSA-N 1 2 325.243 3.924 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894863 1028345534 /nfs/dbraw/zinc/34/55/34/1028345534.db2.gz NBCFHJVOEAUXNS-AWEZNQCLSA-N 1 2 340.452 3.836 20 0 EHADLO FC[C@H]1C[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421388121 1028361593 /nfs/dbraw/zinc/36/15/93/1028361593.db2.gz VBDTZDPQCHUAKB-IBGZPJMESA-N 1 2 343.446 3.836 20 0 EHADLO FC[C@H]1C[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421388121 1028361611 /nfs/dbraw/zinc/36/16/11/1028361611.db2.gz VBDTZDPQCHUAKB-IBGZPJMESA-N 1 2 343.446 3.836 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1occc1-c1ccccc1 ZINC000068420178 1028399399 /nfs/dbraw/zinc/39/93/99/1028399399.db2.gz QZHQTLFCRDJOKS-UHFFFAOYSA-N 1 2 335.407 3.964 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000079025974 1028421148 /nfs/dbraw/zinc/42/11/48/1028421148.db2.gz MRMIMOWRLXZVAG-APWZRJJASA-N 1 2 340.471 3.652 20 0 EHADLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1-c1ccccc1Cl ZINC000069965163 1028448253 /nfs/dbraw/zinc/44/82/53/1028448253.db2.gz LJQAJHOMZRLHNH-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO COCc1cnc(C[NH2+]Cc2cc(C)ccc2Br)s1 ZINC000414522745 1028476803 /nfs/dbraw/zinc/47/68/03/1028476803.db2.gz XNXGSDRBBSTYNR-UHFFFAOYSA-N 1 2 341.274 3.650 20 0 EHADLO CCc1nc(C)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)o1 ZINC000428386036 1028480316 /nfs/dbraw/zinc/48/03/16/1028480316.db2.gz VRHHONYHIUNDQV-UHFFFAOYSA-N 1 2 333.407 3.534 20 0 EHADLO CCc1nc(C)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)o1 ZINC000428386036 1028480322 /nfs/dbraw/zinc/48/03/22/1028480322.db2.gz VRHHONYHIUNDQV-UHFFFAOYSA-N 1 2 333.407 3.534 20 0 EHADLO COCCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H](C)c1ccccc1 ZINC000455563651 1028480480 /nfs/dbraw/zinc/48/04/80/1028480480.db2.gz ULFISXXFWHAURE-KRWDZBQOSA-N 1 2 341.455 3.618 20 0 EHADLO O[C@]1(C2CC2)CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000664353302 1028487323 /nfs/dbraw/zinc/48/73/23/1028487323.db2.gz ZWQGXCJZPFOCAL-QGZVFWFLSA-N 1 2 347.256 3.739 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)Cc1ccco1 ZINC000523635544 1028507210 /nfs/dbraw/zinc/50/72/10/1028507210.db2.gz HFILSFJGVJBTQE-JKSUJKDBSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+](C)Cc1ccco1 ZINC000523635544 1028507224 /nfs/dbraw/zinc/50/72/24/1028507224.db2.gz HFILSFJGVJBTQE-JKSUJKDBSA-N 1 2 340.467 3.856 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000342981139 1028511200 /nfs/dbraw/zinc/51/12/00/1028511200.db2.gz QZTFWIIJAKIQBF-UHFFFAOYSA-N 1 2 327.359 3.908 20 0 EHADLO Cc1cc(CNC(=O)CCCc2nc3ccccc3s2)cc(C)[nH+]1 ZINC000421562750 1028539908 /nfs/dbraw/zinc/53/99/08/1028539908.db2.gz VWRUTZVEKCLULJ-UHFFFAOYSA-N 1 2 339.464 3.947 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1F ZINC000153666890 1028545603 /nfs/dbraw/zinc/54/56/03/1028545603.db2.gz UVHSCNOVHLLDLN-YVEFUNNKSA-N 1 2 347.409 3.627 20 0 EHADLO C[C@@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(F)F ZINC000421557268 1028558555 /nfs/dbraw/zinc/55/85/55/1028558555.db2.gz MQSYRZXJBAEYQW-KRWDZBQOSA-N 1 2 331.366 3.870 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3cccc(-n4cc[nH+]c4)c3)coc2c1 ZINC000523725571 1028563151 /nfs/dbraw/zinc/56/31/51/1028563151.db2.gz PDVYNDOAYAWKHF-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO CC[C@H](CC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(OC)cc1 ZINC000421573747 1028567321 /nfs/dbraw/zinc/56/73/21/1028567321.db2.gz BXEHLMVHJMSVPU-QGZVFWFLSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Br)cc2C)cc(C)[nH+]1 ZINC000421576009 1028570640 /nfs/dbraw/zinc/57/06/40/1028570640.db2.gz LGACCHCTENECJI-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCc3occc32)c1C ZINC000195142376 1028587570 /nfs/dbraw/zinc/58/75/70/1028587570.db2.gz MQUUNJHNYKUFKT-HNNXBMFYSA-N 1 2 343.427 3.519 20 0 EHADLO Cc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000074043943 1028595697 /nfs/dbraw/zinc/59/56/97/1028595697.db2.gz KIBKOVREJGYMKN-UHFFFAOYSA-N 1 2 331.213 3.823 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC000343001332 1028597037 /nfs/dbraw/zinc/59/70/37/1028597037.db2.gz RCRKYYWUYHOTKF-CQSZACIVSA-N 1 2 340.254 3.718 20 0 EHADLO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079321364 1028629137 /nfs/dbraw/zinc/62/91/37/1028629137.db2.gz WZGUMMLWGACGKJ-HNNXBMFYSA-N 1 2 340.851 3.881 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1noc(C2CCOCC2)n1 ZINC000195514943 1028639162 /nfs/dbraw/zinc/63/91/62/1028639162.db2.gz GJVSUJJKHXTOKY-KRWDZBQOSA-N 1 2 327.428 3.609 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1noc(C2CCOCC2)n1 ZINC000195514943 1028639168 /nfs/dbraw/zinc/63/91/68/1028639168.db2.gz GJVSUJJKHXTOKY-KRWDZBQOSA-N 1 2 327.428 3.609 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1nc(-c2cccc(F)c2)no1 ZINC000237592844 1028656597 /nfs/dbraw/zinc/65/65/97/1028656597.db2.gz NDGIIUVCKUPRDK-NSHDSACASA-N 1 2 337.358 3.603 20 0 EHADLO Cc1ncccc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000237616223 1028658279 /nfs/dbraw/zinc/65/82/79/1028658279.db2.gz ONFQFBOODRDZRL-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO FC(F)n1ccnc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000237679489 1028662143 /nfs/dbraw/zinc/66/21/43/1028662143.db2.gz VKMOYDJODSWYSY-UHFFFAOYSA-N 1 2 344.365 3.542 20 0 EHADLO Cc1ccc(O)c(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000237764253 1028665447 /nfs/dbraw/zinc/66/54/47/1028665447.db2.gz URSMOYYKIYWDQX-HXUWFJFHSA-N 1 2 347.418 3.565 20 0 EHADLO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn[nH]2)cc1 ZINC000523936764 1028723727 /nfs/dbraw/zinc/72/37/27/1028723727.db2.gz INFGJMMJMVWFFU-RTBURBONSA-N 1 2 329.444 3.678 20 0 EHADLO Oc1c(Br)cc(C[NH2+]CCC2CC2)cc1Br ZINC000236560214 1028742420 /nfs/dbraw/zinc/74/24/20/1028742420.db2.gz XTBFKYJOQDQXAG-UHFFFAOYSA-N 1 2 349.066 3.807 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535237 1028778914 /nfs/dbraw/zinc/77/89/14/1028778914.db2.gz KMTDWCHBHKBDCQ-OXQOHEQNSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535237 1028778928 /nfs/dbraw/zinc/77/89/28/1028778928.db2.gz KMTDWCHBHKBDCQ-OXQOHEQNSA-N 1 2 325.456 3.588 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247451198 1028790837 /nfs/dbraw/zinc/79/08/37/1028790837.db2.gz JFUWZWFBQHHPOB-XYJFISCASA-N 1 2 343.496 3.615 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245544431 1028798099 /nfs/dbraw/zinc/79/80/99/1028798099.db2.gz ULEKQHKCJCYYAA-RDTXWAMCSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245544431 1028798115 /nfs/dbraw/zinc/79/81/15/1028798115.db2.gz ULEKQHKCJCYYAA-RDTXWAMCSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247645005 1028806894 /nfs/dbraw/zinc/80/68/94/1028806894.db2.gz OSWKWLRMGMABTR-SCTDSRPQSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc3c2CC[C@H](C)C3)C[C@H]1n1cc[nH+]c1 ZINC000123110939 1028817839 /nfs/dbraw/zinc/81/78/39/1028817839.db2.gz SPSLCXAYJJMRKU-JJRVBVJISA-N 1 2 343.496 3.793 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@H](C)SCC)no2)C1(C)C ZINC000247990335 1028837536 /nfs/dbraw/zinc/83/75/36/1028837536.db2.gz JHMWSRLPRKEJBH-RWMBFGLXSA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@H](C)SCC)no2)C1(C)C ZINC000247990335 1028837556 /nfs/dbraw/zinc/83/75/56/1028837556.db2.gz JHMWSRLPRKEJBH-RWMBFGLXSA-N 1 2 327.494 3.519 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000424151760 1028840155 /nfs/dbraw/zinc/84/01/55/1028840155.db2.gz GAUDZESKTGFBTK-UHFFFAOYSA-N 1 2 346.328 3.750 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000524081959 1028845159 /nfs/dbraw/zinc/84/51/59/1028845159.db2.gz JXQGIGCKQUQDIY-UHFFFAOYSA-N 1 2 327.359 3.848 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncnn2C(C)(C)C)C(C)C)c(F)c1 ZINC000421854581 1028847000 /nfs/dbraw/zinc/84/70/00/1028847000.db2.gz LTXMNYOJVQAZDE-QGZVFWFLSA-N 1 2 334.439 3.668 20 0 EHADLO CCCc1c(NCc2c[nH+]cn2C(C)C)cnn1-c1cc(C)ccn1 ZINC000424179739 1028853968 /nfs/dbraw/zinc/85/39/68/1028853968.db2.gz UCCBTFAROXTPJV-UHFFFAOYSA-N 1 2 338.459 3.918 20 0 EHADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccoc1 ZINC000245572583 1028863864 /nfs/dbraw/zinc/86/38/64/1028863864.db2.gz CNDZVPYQGLIKNF-VHSSKADRSA-N 1 2 334.847 3.656 20 0 EHADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccoc1 ZINC000245572583 1028863880 /nfs/dbraw/zinc/86/38/80/1028863880.db2.gz CNDZVPYQGLIKNF-VHSSKADRSA-N 1 2 334.847 3.656 20 0 EHADLO CC(C)n1cncc1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000424173576 1028871827 /nfs/dbraw/zinc/87/18/27/1028871827.db2.gz LJEWEGWBGKZUOL-UHFFFAOYSA-N 1 2 344.203 3.795 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000123311230 1028877758 /nfs/dbraw/zinc/87/77/58/1028877758.db2.gz ILORAZMSJYYBRG-KUHUBIRLSA-N 1 2 336.439 3.705 20 0 EHADLO Cn1ncnc1C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000153898888 1028885378 /nfs/dbraw/zinc/88/53/78/1028885378.db2.gz KFNUCZOKLZIDMN-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO O=[S@](CCCc1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445537516 1028900381 /nfs/dbraw/zinc/90/03/81/1028900381.db2.gz HLDXJKDYDLCIOB-XMMPIXPASA-N 1 2 338.476 3.813 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000248435408 1028904153 /nfs/dbraw/zinc/90/41/53/1028904153.db2.gz ACZBBXLJTHLIRI-MLGOLLRUSA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000248435408 1028904164 /nfs/dbraw/zinc/90/41/64/1028904164.db2.gz ACZBBXLJTHLIRI-MLGOLLRUSA-N 1 2 336.432 3.643 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000414558554 1028914168 /nfs/dbraw/zinc/91/41/68/1028914168.db2.gz SJPAOIHIRUJXLB-UHFFFAOYSA-N 1 2 333.457 3.503 20 0 EHADLO O=c1[nH]cc(-c2ccccn2)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087052 1028920099 /nfs/dbraw/zinc/92/00/99/1028920099.db2.gz IAJCVJGLSXLOSV-UHFFFAOYSA-N 1 2 329.363 3.983 20 0 EHADLO COc1ccnc(Br)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087187 1028938359 /nfs/dbraw/zinc/93/83/59/1028938359.db2.gz KSLCFUKQSXFHCR-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000248707061 1028939393 /nfs/dbraw/zinc/93/93/93/1028939393.db2.gz MDFRELORZSEFSN-KUHUBIRLSA-N 1 2 344.480 3.872 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000248707061 1028939407 /nfs/dbraw/zinc/93/94/07/1028939407.db2.gz MDFRELORZSEFSN-KUHUBIRLSA-N 1 2 344.480 3.872 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421925700 1028940272 /nfs/dbraw/zinc/94/02/72/1028940272.db2.gz WUQHCZOTXRFMRR-GFCCVEGCSA-N 1 2 344.842 3.877 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245628384 1028941183 /nfs/dbraw/zinc/94/11/83/1028941183.db2.gz ZDEVNPIJFLRISG-DLBZAZTESA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245628384 1028941195 /nfs/dbraw/zinc/94/11/95/1028941195.db2.gz ZDEVNPIJFLRISG-DLBZAZTESA-N 1 2 349.837 3.681 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123577939 1028959157 /nfs/dbraw/zinc/95/91/57/1028959157.db2.gz BGPQVQCJUAYJKO-ZIFCJYIRSA-N 1 2 325.456 3.795 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000076342561 1028965623 /nfs/dbraw/zinc/96/56/23/1028965623.db2.gz LTGSFLPONQOLER-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000076342561 1028965642 /nfs/dbraw/zinc/96/56/42/1028965642.db2.gz LTGSFLPONQOLER-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO C[C@H](Nc1ccc(COCCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424310408 1028991572 /nfs/dbraw/zinc/99/15/72/1028991572.db2.gz CGZFQMXZIXGOCF-INIZCTEOSA-N 1 2 337.423 3.554 20 0 EHADLO O[C@H](C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000249390835 1029001442 /nfs/dbraw/zinc/00/14/42/1029001442.db2.gz RWHDYTHPQDEXFU-STQMWFEESA-N 1 2 339.810 3.743 20 0 EHADLO O[C@H](C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000249390835 1029001448 /nfs/dbraw/zinc/00/14/48/1029001448.db2.gz RWHDYTHPQDEXFU-STQMWFEESA-N 1 2 339.810 3.743 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000123747059 1029015232 /nfs/dbraw/zinc/01/52/32/1029015232.db2.gz VVLCIPKIECIYDW-UONOGXRCSA-N 1 2 338.411 3.942 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179162958 1029021712 /nfs/dbraw/zinc/02/17/12/1029021712.db2.gz DHJWQIAEDWPNMY-UKTHLTGXSA-N 1 2 325.799 3.707 20 0 EHADLO Cc1csc(C2([NH2+]Cn3nccc3-c3ccncc3)CCCC2)n1 ZINC000179178671 1029074041 /nfs/dbraw/zinc/07/40/41/1029074041.db2.gz CNQGJTUTKLQMIT-UHFFFAOYSA-N 1 2 339.468 3.727 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000583170756 1029107261 /nfs/dbraw/zinc/10/72/61/1029107261.db2.gz MDKXPTJTFGYRJS-MRXNPFEDSA-N 1 2 327.415 3.968 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000583170756 1029107265 /nfs/dbraw/zinc/10/72/65/1029107265.db2.gz MDKXPTJTFGYRJS-MRXNPFEDSA-N 1 2 327.415 3.968 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532968501 1029113695 /nfs/dbraw/zinc/11/36/95/1029113695.db2.gz FBVFSUFDPMPRHH-FQEVSTJZSA-N 1 2 345.483 3.962 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000077546798 1029125074 /nfs/dbraw/zinc/12/50/74/1029125074.db2.gz AQZFTRKVHDMBDD-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO CCCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000077679360 1029136951 /nfs/dbraw/zinc/13/69/51/1029136951.db2.gz AJWJAVWHIHROCY-HZPDHXFCSA-N 1 2 333.476 3.560 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000271766203 1029159610 /nfs/dbraw/zinc/15/96/10/1029159610.db2.gz HGOWRJMPUHFRPO-QGZVFWFLSA-N 1 2 342.487 3.890 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2s1)C1CC1 ZINC000271790237 1029172225 /nfs/dbraw/zinc/17/22/25/1029172225.db2.gz IWOYVRCEKDFPEA-HNNXBMFYSA-N 1 2 332.860 3.924 20 0 EHADLO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000261625635 1029176519 /nfs/dbraw/zinc/17/65/19/1029176519.db2.gz HDAKBBXWEILOAQ-CYBMUJFWSA-N 1 2 331.243 3.935 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445861068 1029179042 /nfs/dbraw/zinc/17/90/42/1029179042.db2.gz IZKAGKKWCNCXQL-SFHVURJKSA-N 1 2 347.455 3.574 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445861068 1029179045 /nfs/dbraw/zinc/17/90/45/1029179045.db2.gz IZKAGKKWCNCXQL-SFHVURJKSA-N 1 2 347.455 3.574 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000445851173 1029186877 /nfs/dbraw/zinc/18/68/77/1029186877.db2.gz ANXZRJCUMWTZRO-HNNXBMFYSA-N 1 2 337.533 3.819 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCC[C@@H](F)C1 ZINC000424659650 1029222620 /nfs/dbraw/zinc/22/26/20/1029222620.db2.gz IFERPJJJYGALOL-IAGOWNOFSA-N 1 2 333.451 3.607 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000424714688 1029266176 /nfs/dbraw/zinc/26/61/76/1029266176.db2.gz DEDDZDAHTJLZJF-FXAWDEMLSA-N 1 2 338.451 3.639 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161591270 1029281862 /nfs/dbraw/zinc/28/18/62/1029281862.db2.gz INBXMXYQEOBSRX-HECSCLNYSA-N 1 2 341.842 3.533 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H](CO)c1ccccc1 ZINC000343116301 1029282833 /nfs/dbraw/zinc/28/28/33/1029282833.db2.gz HSTOIIKLGOLLNG-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H](CO)c1ccccc1 ZINC000343116301 1029282845 /nfs/dbraw/zinc/28/28/45/1029282845.db2.gz HSTOIIKLGOLLNG-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1C ZINC000114494878 1029291643 /nfs/dbraw/zinc/29/16/43/1029291643.db2.gz UGLOULOACOKBNS-FQEVSTJZSA-N 1 2 328.456 3.839 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1C ZINC000114494878 1029291660 /nfs/dbraw/zinc/29/16/60/1029291660.db2.gz UGLOULOACOKBNS-FQEVSTJZSA-N 1 2 328.456 3.839 20 0 EHADLO Cc1c(NC[C@]2(C)CC2(F)F)nc[nH+]c1NC[C@]1(C)CC1(F)F ZINC000664400430 1029307830 /nfs/dbraw/zinc/30/78/30/1029307830.db2.gz XAPZAFLGNLHBGO-STQMWFEESA-N 1 2 332.345 3.699 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[C@@H](F)C2)c(C)c1 ZINC000424738665 1029309211 /nfs/dbraw/zinc/30/92/11/1029309211.db2.gz PPNBXZWKBPDOKN-SCTDSRPQSA-N 1 2 343.446 3.886 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)CO1 ZINC000245801906 1029315989 /nfs/dbraw/zinc/31/59/89/1029315989.db2.gz XYKRSAVSUBPCIW-FXAWDEMLSA-N 1 2 337.467 3.644 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)CO1 ZINC000245801906 1029316005 /nfs/dbraw/zinc/31/60/05/1029316005.db2.gz XYKRSAVSUBPCIW-FXAWDEMLSA-N 1 2 337.467 3.644 20 0 EHADLO C[C@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124742683 1029320426 /nfs/dbraw/zinc/32/04/26/1029320426.db2.gz FTZCLFGCWDWTKC-HKUYNNGSSA-N 1 2 337.467 3.706 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCOc3cc(F)ccc32)c[nH+]1 ZINC000454802607 1029337034 /nfs/dbraw/zinc/33/70/34/1029337034.db2.gz HRNGMSFANOBKGG-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO Cc1ccc2nc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cn2c1 ZINC000078499646 1029355299 /nfs/dbraw/zinc/35/52/99/1029355299.db2.gz PDEVXJDXDBOGDK-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1ccc2nc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)cn2c1 ZINC000078499646 1029355314 /nfs/dbraw/zinc/35/53/14/1029355314.db2.gz PDEVXJDXDBOGDK-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO [NH3+][C@@H](c1nc(-c2ccccc2F)no1)c1ccc(Br)cc1 ZINC001212091523 1029390736 /nfs/dbraw/zinc/39/07/36/1029390736.db2.gz YGCZTZYGHQKWGK-CYBMUJFWSA-N 1 2 348.175 3.686 20 0 EHADLO CC(C)C[C@H](c1nc(COCc2ccccc2)no1)n1cc[nH+]c1 ZINC000923879076 1029393767 /nfs/dbraw/zinc/39/37/67/1029393767.db2.gz UYFIRAXNBFCLMU-MRXNPFEDSA-N 1 2 326.400 3.618 20 0 EHADLO CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000357957707 1029440792 /nfs/dbraw/zinc/44/07/92/1029440792.db2.gz YMJSGTIBHMQPFS-KRWDZBQOSA-N 1 2 341.455 3.602 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1cccc(O)c1)Cc1ccccc1Cl ZINC000508556529 1029450066 /nfs/dbraw/zinc/45/00/66/1029450066.db2.gz LVRFWTOQRDHVLF-CQSZACIVSA-N 1 2 346.858 3.745 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1cccc(O)c1)Cc1ccccc1Cl ZINC000508556529 1029450073 /nfs/dbraw/zinc/45/00/73/1029450073.db2.gz LVRFWTOQRDHVLF-CQSZACIVSA-N 1 2 346.858 3.745 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000272456198 1029468059 /nfs/dbraw/zinc/46/80/59/1029468059.db2.gz XGBHFJJSYRWTLK-HNNXBMFYSA-N 1 2 348.450 3.751 20 0 EHADLO CC[N@H+](Cc1cnc(N)s1)Cc1cc(Br)ccc1F ZINC000261912013 1029528616 /nfs/dbraw/zinc/52/86/16/1029528616.db2.gz YJYRHWMTDDELQI-UHFFFAOYSA-N 1 2 344.253 3.649 20 0 EHADLO CC[N@@H+](Cc1cnc(N)s1)Cc1cc(Br)ccc1F ZINC000261912013 1029528634 /nfs/dbraw/zinc/52/86/34/1029528634.db2.gz YJYRHWMTDDELQI-UHFFFAOYSA-N 1 2 344.253 3.649 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)C1 ZINC000272687923 1029567764 /nfs/dbraw/zinc/56/77/64/1029567764.db2.gz TVHMTECWOHPYQX-HNNXBMFYSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)C1 ZINC000272687923 1029567774 /nfs/dbraw/zinc/56/77/74/1029567774.db2.gz TVHMTECWOHPYQX-HNNXBMFYSA-N 1 2 346.818 3.653 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)C3CCCCC3)cn2c1 ZINC000583294949 1029584332 /nfs/dbraw/zinc/58/43/32/1029584332.db2.gz IFWDDUOVVOGUKS-HNNXBMFYSA-N 1 2 345.512 3.961 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CCCCC2)c1 ZINC000343168414 1029598280 /nfs/dbraw/zinc/59/82/80/1029598280.db2.gz ZVQNTUQUDONZKM-KRWDZBQOSA-N 1 2 325.456 3.598 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000666822646 1029621101 /nfs/dbraw/zinc/62/11/01/1029621101.db2.gz MZTGHDRIYLWXGV-GOEBONIOSA-N 1 2 344.846 3.508 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000666822646 1029621107 /nfs/dbraw/zinc/62/11/07/1029621107.db2.gz MZTGHDRIYLWXGV-GOEBONIOSA-N 1 2 344.846 3.508 20 0 EHADLO CC(C)(CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000455068608 1029621982 /nfs/dbraw/zinc/62/19/82/1029621982.db2.gz QPOMGNARGSYWJU-UHFFFAOYSA-N 1 2 346.519 3.911 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(F)c(Cl)c1 ZINC000533347668 1029627318 /nfs/dbraw/zinc/62/73/18/1029627318.db2.gz KLUSEZMFWUIAEW-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(F)c(Cl)c1 ZINC000533347668 1029627326 /nfs/dbraw/zinc/62/73/26/1029627326.db2.gz KLUSEZMFWUIAEW-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc2[nH+]ccn21 ZINC000525104660 1029687125 /nfs/dbraw/zinc/68/71/25/1029687125.db2.gz LCSUPWLDWMATEE-CYBMUJFWSA-N 1 2 348.410 3.611 20 0 EHADLO O=C(Cc1cc(F)ccc1F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000079837362 1029730187 /nfs/dbraw/zinc/73/01/87/1029730187.db2.gz DEOMWQJMGUGUQA-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO CCC1(CC)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000446655487 1029740184 /nfs/dbraw/zinc/74/01/84/1029740184.db2.gz ABRJZQPJHHVXBZ-UHFFFAOYSA-N 1 2 345.512 3.915 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268363343 1029743596 /nfs/dbraw/zinc/74/35/96/1029743596.db2.gz TWJKGAJSYQKGSL-QRQLOZEOSA-N 1 2 340.471 3.873 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429755683 1029766198 /nfs/dbraw/zinc/76/61/98/1029766198.db2.gz FXWLTWXFJUHMCM-AWEZNQCLSA-N 1 2 342.443 3.591 20 0 EHADLO CC(C)(C)Oc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211579723 1029777351 /nfs/dbraw/zinc/77/73/51/1029777351.db2.gz HVQVKWZHCKTVLP-ZDUSSCGKSA-N 1 2 337.370 3.626 20 0 EHADLO CC1=CC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000533762510 1029792833 /nfs/dbraw/zinc/79/28/33/1029792833.db2.gz YDGKNWNUQIFJON-HNNXBMFYSA-N 1 2 333.501 3.849 20 0 EHADLO CC1=CC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000533762510 1029792838 /nfs/dbraw/zinc/79/28/38/1029792838.db2.gz YDGKNWNUQIFJON-HNNXBMFYSA-N 1 2 333.501 3.849 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000156327312 1029815634 /nfs/dbraw/zinc/81/56/34/1029815634.db2.gz GKEDHURBOBIDMX-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO CC(C)c1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000156426276 1029833636 /nfs/dbraw/zinc/83/36/36/1029833636.db2.gz OSMZDVKEIYYXQZ-LJQANCHMSA-N 1 2 345.487 3.529 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000533810607 1029869432 /nfs/dbraw/zinc/86/94/32/1029869432.db2.gz CBWQTXGLTFEMHE-INIZCTEOSA-N 1 2 334.529 3.999 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1O ZINC000428462318 1029874457 /nfs/dbraw/zinc/87/44/57/1029874457.db2.gz KNVNMKBGVYSPRI-TVQRCGJNSA-N 1 2 341.295 3.927 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1O ZINC000428462318 1029874461 /nfs/dbraw/zinc/87/44/61/1029874461.db2.gz KNVNMKBGVYSPRI-TVQRCGJNSA-N 1 2 341.295 3.927 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000367366900 1029889408 /nfs/dbraw/zinc/88/94/08/1029889408.db2.gz FCWQGBYMWGVFMF-RUGDWHBFSA-N 1 2 343.858 3.750 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C(F)(F)F ZINC000453200157 1029899081 /nfs/dbraw/zinc/89/90/81/1029899081.db2.gz LAFFGHSNYNITMR-GWCFXTLKSA-N 1 2 331.769 3.951 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486122 1029900673 /nfs/dbraw/zinc/90/06/73/1029900673.db2.gz AQIGKJDNRCBJOL-SPLOXXLWSA-N 1 2 348.402 3.999 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486122 1029900678 /nfs/dbraw/zinc/90/06/78/1029900678.db2.gz AQIGKJDNRCBJOL-SPLOXXLWSA-N 1 2 348.402 3.999 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(SC(F)F)cc2)c[nH+]1 ZINC000899903681 1029900741 /nfs/dbraw/zinc/90/07/41/1029900741.db2.gz UQRLOFVZZMTDMW-UHFFFAOYSA-N 1 2 325.384 3.880 20 0 EHADLO Cc1[nH+]cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)n1-c1ccccc1 ZINC000447071547 1029919467 /nfs/dbraw/zinc/91/94/67/1029919467.db2.gz ZVMXTARMQACGPT-UHFFFAOYSA-N 1 2 337.471 3.833 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000458561614 1029944939 /nfs/dbraw/zinc/94/49/39/1029944939.db2.gz JRTPNXQZDNHFKF-IBGZPJMESA-N 1 2 348.450 3.596 20 0 EHADLO COC1(c2noc(CCc3[nH]c4c(cccc4C)[nH+]3)n2)CCCCC1 ZINC000453229672 1029949293 /nfs/dbraw/zinc/94/92/93/1029949293.db2.gz DYWSOUMWXKOXKG-UHFFFAOYSA-N 1 2 340.427 3.845 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000080302888 1029953136 /nfs/dbraw/zinc/95/31/36/1029953136.db2.gz HNGBIXRMSWXCCQ-QGZVFWFLSA-N 1 2 329.488 3.647 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(CCc2ncccc2C)no1)c1ccccc1 ZINC000453235567 1029957416 /nfs/dbraw/zinc/95/74/16/1029957416.db2.gz XYRXJSGVSYCFHS-IBGZPJMESA-N 1 2 336.439 3.599 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(CCc2ncccc2C)no1)c1ccccc1 ZINC000453235567 1029957432 /nfs/dbraw/zinc/95/74/32/1029957432.db2.gz XYRXJSGVSYCFHS-IBGZPJMESA-N 1 2 336.439 3.599 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)C2CC2)cc1 ZINC000171002256 1029960137 /nfs/dbraw/zinc/96/01/37/1029960137.db2.gz UGCXVPYWEAXBJT-IBGZPJMESA-N 1 2 340.471 3.532 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C(F)F)CC1 ZINC000481821609 1030014281 /nfs/dbraw/zinc/01/42/81/1030014281.db2.gz SIVSPUIENILYOB-UHFFFAOYSA-N 1 2 334.366 3.893 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453293523 1030039835 /nfs/dbraw/zinc/03/98/35/1030039835.db2.gz DMOCIFNGEASYAB-VFZGTOFNSA-N 1 2 325.309 3.658 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)s1 ZINC000508593608 1030127491 /nfs/dbraw/zinc/12/74/91/1030127491.db2.gz GDVBFENGKZOGIW-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000453348604 1030139439 /nfs/dbraw/zinc/13/94/39/1030139439.db2.gz CXKVBEXYZLTHGD-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000525826239 1030149418 /nfs/dbraw/zinc/14/94/18/1030149418.db2.gz ZHIMIOPXGUYFHI-GDBMZVCRSA-N 1 2 335.407 3.827 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453358912 1030155837 /nfs/dbraw/zinc/15/58/37/1030155837.db2.gz QBQCMDKYIWISGT-VXGBXAGGSA-N 1 2 337.851 3.985 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)o1 ZINC000447394274 1030164541 /nfs/dbraw/zinc/16/45/41/1030164541.db2.gz PXMKHJDMWKXCJP-HOCLYGCPSA-N 1 2 336.439 3.803 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)o1 ZINC000447394274 1030164546 /nfs/dbraw/zinc/16/45/46/1030164546.db2.gz PXMKHJDMWKXCJP-HOCLYGCPSA-N 1 2 336.439 3.803 20 0 EHADLO Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)c(F)c1Cl ZINC000447439869 1030210049 /nfs/dbraw/zinc/21/00/49/1030210049.db2.gz KQDDTEMDXCGNOQ-UHFFFAOYSA-N 1 2 335.810 3.805 20 0 EHADLO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)NC ZINC000453392713 1030238982 /nfs/dbraw/zinc/23/89/82/1030238982.db2.gz DZMPAEKEQWYBDM-DLBZAZTESA-N 1 2 334.822 3.683 20 0 EHADLO CCC1CCC(N(C(=O)NCCCCn2cc[nH+]c2)C2CC2)CC1 ZINC000531996375 1030248439 /nfs/dbraw/zinc/24/84/39/1030248439.db2.gz FWJIMUSLYNPRAV-UHFFFAOYSA-N 1 2 332.492 3.806 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000447507124 1030255154 /nfs/dbraw/zinc/25/51/54/1030255154.db2.gz LEBXCOWUGYYIPB-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000447507124 1030255169 /nfs/dbraw/zinc/25/51/69/1030255169.db2.gz LEBXCOWUGYYIPB-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000157093977 1030260320 /nfs/dbraw/zinc/26/03/20/1030260320.db2.gz SYRGFYBVEZPVGG-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000458621464 1030331271 /nfs/dbraw/zinc/33/12/71/1030331271.db2.gz PXUPHCALKDDRSC-JENIJYKNSA-N 1 2 349.425 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000458621464 1030331283 /nfs/dbraw/zinc/33/12/83/1030331283.db2.gz PXUPHCALKDDRSC-JENIJYKNSA-N 1 2 349.425 3.508 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c(C)s1 ZINC000532059114 1030348042 /nfs/dbraw/zinc/34/80/42/1030348042.db2.gz PNTXBHRGQLDYNT-QGZVFWFLSA-N 1 2 345.464 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c(C)s1 ZINC000532059114 1030348061 /nfs/dbraw/zinc/34/80/61/1030348061.db2.gz PNTXBHRGQLDYNT-QGZVFWFLSA-N 1 2 345.464 3.725 20 0 EHADLO CCCOc1cccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000121749369 1030354048 /nfs/dbraw/zinc/35/40/48/1030354048.db2.gz HRUOSYWZYPZCQG-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO Cc1cc(Br)c(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)s1 ZINC000453572081 1030361466 /nfs/dbraw/zinc/36/14/66/1030361466.db2.gz NLAAQSZHXXTDDR-JTQLQIEISA-N 1 2 328.279 3.746 20 0 EHADLO Cc1cc(Br)c(C[N@H+](C)[C@@H](C)c2cnn(C)c2)s1 ZINC000453572081 1030361482 /nfs/dbraw/zinc/36/14/82/1030361482.db2.gz NLAAQSZHXXTDDR-JTQLQIEISA-N 1 2 328.279 3.746 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1csc(-c2ccco2)n1 ZINC000453613937 1030402585 /nfs/dbraw/zinc/40/25/85/1030402585.db2.gz CXHRDZQECPDOGL-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2ccco2)n1 ZINC000453613937 1030402602 /nfs/dbraw/zinc/40/26/02/1030402602.db2.gz CXHRDZQECPDOGL-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO CCc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000526083600 1030409438 /nfs/dbraw/zinc/40/94/38/1030409438.db2.gz AFZBIAWRIQHHAM-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000447679662 1030412578 /nfs/dbraw/zinc/41/25/78/1030412578.db2.gz OJJKSOSGDPPPKY-DBVUQKKJSA-N 1 2 338.451 3.891 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC2(CCCC2)C1 ZINC000526102651 1030426302 /nfs/dbraw/zinc/42/63/02/1030426302.db2.gz IGNTUVZTJBRRQC-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO COc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000447711082 1030445476 /nfs/dbraw/zinc/44/54/76/1030445476.db2.gz UZBXQJLSFIRWFR-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000925253082 1030454091 /nfs/dbraw/zinc/45/40/91/1030454091.db2.gz CHCPRXJLFCOVEV-WBVHZDCISA-N 1 2 328.460 3.951 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1cnc(C(F)(F)F)s1 ZINC000447795967 1030481964 /nfs/dbraw/zinc/48/19/64/1030481964.db2.gz RQCBYUIJRBRNOL-UHFFFAOYSA-N 1 2 336.404 3.872 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1cnc(C(F)(F)F)s1 ZINC000447795967 1030481975 /nfs/dbraw/zinc/48/19/75/1030481975.db2.gz RQCBYUIJRBRNOL-UHFFFAOYSA-N 1 2 336.404 3.872 20 0 EHADLO Brc1cccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000447802068 1030486456 /nfs/dbraw/zinc/48/64/56/1030486456.db2.gz HABKXOWEDRCPRL-HNNXBMFYSA-N 1 2 332.245 3.925 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@H](c4cccs4)C3)c1)O[C@@H](C)C2 ZINC000092593437 1030487703 /nfs/dbraw/zinc/48/77/03/1030487703.db2.gz PBMLRHANYNOUKB-GUYCJALGSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@H](c4cccs4)C3)c1)O[C@@H](C)C2 ZINC000092593437 1030487713 /nfs/dbraw/zinc/48/77/13/1030487713.db2.gz PBMLRHANYNOUKB-GUYCJALGSA-N 1 2 345.464 3.654 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C)o1 ZINC000447823696 1030501670 /nfs/dbraw/zinc/50/16/70/1030501670.db2.gz XPOCTUVVRQPEFM-MRXNPFEDSA-N 1 2 325.412 3.846 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000278383489 1030509775 /nfs/dbraw/zinc/50/97/75/1030509775.db2.gz ZBMBCJCEYWVBNW-HOCLYGCPSA-N 1 2 326.444 3.631 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1nnc2ccccn21 ZINC000447848215 1030516337 /nfs/dbraw/zinc/51/63/37/1030516337.db2.gz KWZOMDASFGCGPQ-MRXNPFEDSA-N 1 2 346.438 3.750 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000532281007 1030533146 /nfs/dbraw/zinc/53/31/46/1030533146.db2.gz YQEFPWUFTYHUQO-UHFFFAOYSA-N 1 2 330.432 3.533 20 0 EHADLO FC(F)(F)c1nn(Cc2nc(C3CCCC3)no2)c2cc[nH+]cc21 ZINC000092918009 1030535038 /nfs/dbraw/zinc/53/50/38/1030535038.db2.gz JBDPGHWASCJONY-UHFFFAOYSA-N 1 2 337.305 3.539 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1F ZINC000532313305 1030536483 /nfs/dbraw/zinc/53/64/83/1030536483.db2.gz MSNXTUPDLNHUIK-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)cc1F ZINC000532313305 1030536490 /nfs/dbraw/zinc/53/64/90/1030536490.db2.gz MSNXTUPDLNHUIK-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCOc2cc(O)ccc2C1 ZINC000343370694 1030536695 /nfs/dbraw/zinc/53/66/95/1030536695.db2.gz SMKQZUQQXIBMRM-UHFFFAOYSA-N 1 2 336.391 3.656 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000532305469 1030547087 /nfs/dbraw/zinc/54/70/87/1030547087.db2.gz RAOFNJLTTXYVNH-UHFFFAOYSA-N 1 2 339.464 3.532 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C(C)C)C2 ZINC000526995175 1030556280 /nfs/dbraw/zinc/55/62/80/1030556280.db2.gz AJYVNIFJCILJSX-BZUAXINKSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000526995175 1030556288 /nfs/dbraw/zinc/55/62/88/1030556288.db2.gz AJYVNIFJCILJSX-BZUAXINKSA-N 1 2 331.504 3.969 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000066438056 1030576516 /nfs/dbraw/zinc/57/65/16/1030576516.db2.gz JPLNICYPEUBTNS-CYBMUJFWSA-N 1 2 336.423 3.836 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000066438056 1030576527 /nfs/dbraw/zinc/57/65/27/1030576527.db2.gz JPLNICYPEUBTNS-CYBMUJFWSA-N 1 2 336.423 3.836 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nc3c(s2)CCCC3)o1 ZINC000093335981 1030589147 /nfs/dbraw/zinc/58/91/47/1030589147.db2.gz DNDWIRCOUHNBFU-UHFFFAOYSA-N 1 2 342.468 3.945 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nc3c(s2)CCCC3)o1 ZINC000093335981 1030589153 /nfs/dbraw/zinc/58/91/53/1030589153.db2.gz DNDWIRCOUHNBFU-UHFFFAOYSA-N 1 2 342.468 3.945 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194033006 1030641538 /nfs/dbraw/zinc/64/15/38/1030641538.db2.gz TZVJPTKBDHLGQD-WMLDXEAASA-N 1 2 344.434 3.732 20 0 EHADLO CCCCCOCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000122497394 1030654959 /nfs/dbraw/zinc/65/49/59/1030654959.db2.gz RPVKMGUIEPWRBQ-UHFFFAOYSA-N 1 2 339.505 3.520 20 0 EHADLO C[C@H]1C[N@H+](CCOCCOc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000347362765 1030665490 /nfs/dbraw/zinc/66/54/90/1030665490.db2.gz CRZZSNUWJXJTME-LPHOPBHVSA-N 1 2 347.480 3.606 20 0 EHADLO C[C@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000347362765 1030665505 /nfs/dbraw/zinc/66/55/05/1030665505.db2.gz CRZZSNUWJXJTME-LPHOPBHVSA-N 1 2 347.480 3.606 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000170888900 1030710957 /nfs/dbraw/zinc/71/09/57/1030710957.db2.gz HSQOOKITNIHPKD-OAHLLOKOSA-N 1 2 326.425 3.518 20 0 EHADLO C[N@H+](Cc1nc(-c2ccoc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000170938995 1030735593 /nfs/dbraw/zinc/73/55/93/1030735593.db2.gz MCNNZJBPXGIOCX-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000170938995 1030735604 /nfs/dbraw/zinc/73/56/04/1030735604.db2.gz MCNNZJBPXGIOCX-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)c1 ZINC000170957890 1030739849 /nfs/dbraw/zinc/73/98/49/1030739849.db2.gz KNUKOAYXIZQBNW-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)c1 ZINC000170957890 1030739860 /nfs/dbraw/zinc/73/98/60/1030739860.db2.gz KNUKOAYXIZQBNW-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1nccn1C ZINC000657793227 1030742369 /nfs/dbraw/zinc/74/23/69/1030742369.db2.gz IEGBRSPXGTVTLM-CQSZACIVSA-N 1 2 326.469 3.513 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1nccn1C ZINC000657793225 1030742577 /nfs/dbraw/zinc/74/25/77/1030742577.db2.gz IEGBRSPXGTVTLM-AWEZNQCLSA-N 1 2 326.469 3.513 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)[C@@H]2CCCO2)cc1 ZINC000172150834 1030838874 /nfs/dbraw/zinc/83/88/74/1030838874.db2.gz AFTIPCWOASSSOB-FXAWDEMLSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO2)cc1 ZINC000172150834 1030838898 /nfs/dbraw/zinc/83/88/98/1030838898.db2.gz AFTIPCWOASSSOB-FXAWDEMLSA-N 1 2 338.455 3.799 20 0 EHADLO Cc1nnc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1C1CC1 ZINC000550987685 1030862526 /nfs/dbraw/zinc/86/25/26/1030862526.db2.gz CAWFMDGUYNJRBS-UHFFFAOYSA-N 1 2 349.438 3.700 20 0 EHADLO CC(C)Oc1ccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000550999396 1030875605 /nfs/dbraw/zinc/87/56/05/1030875605.db2.gz PXSJTDJERCVYMX-KRWDZBQOSA-N 1 2 342.468 3.575 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000482976977 1030877304 /nfs/dbraw/zinc/87/73/04/1030877304.db2.gz FWFGEJHZDWWRBW-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000482976977 1030877325 /nfs/dbraw/zinc/87/73/25/1030877325.db2.gz FWFGEJHZDWWRBW-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO CCN(C(=O)C[NH+]1Cc2ccccc2C1)[C@H](C)c1ccc(F)cc1 ZINC000157827827 1030888599 /nfs/dbraw/zinc/88/85/99/1030888599.db2.gz JCTHLVAGUIXEKG-OAHLLOKOSA-N 1 2 326.415 3.751 20 0 EHADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000926532979 1030898419 /nfs/dbraw/zinc/89/84/19/1030898419.db2.gz VWDMCSBLHUAEEC-KRTXAFLBSA-N 1 2 340.196 3.618 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000357981862 1030909917 /nfs/dbraw/zinc/90/99/17/1030909917.db2.gz GQAPIAKOPFZQMG-LRDDRELGSA-N 1 2 334.851 3.660 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)[C@H]1c1ccccc1 ZINC000483055434 1030932195 /nfs/dbraw/zinc/93/21/95/1030932195.db2.gz HSYOIIANHNXMPZ-FOIQADDNSA-N 1 2 338.476 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)[C@H]1c1ccccc1 ZINC000483055434 1030932206 /nfs/dbraw/zinc/93/22/06/1030932206.db2.gz HSYOIIANHNXMPZ-FOIQADDNSA-N 1 2 338.476 3.818 20 0 EHADLO Cc1ccc(OCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000097676732 1030948874 /nfs/dbraw/zinc/94/88/74/1030948874.db2.gz FMWJSSYGHBBSIO-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO CC(C)CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000172651422 1030954768 /nfs/dbraw/zinc/95/47/68/1030954768.db2.gz SBAWTLANCLSXFH-UHFFFAOYSA-N 1 2 328.460 3.507 20 0 EHADLO CCc1nnc(C[N@@H+](CC)[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000157943159 1030979014 /nfs/dbraw/zinc/97/90/14/1030979014.db2.gz WXQHHLMAZRVJGQ-NSHDSACASA-N 1 2 326.366 3.969 20 0 EHADLO CCc1nnc(C[N@H+](CC)[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000157943159 1030979026 /nfs/dbraw/zinc/97/90/26/1030979026.db2.gz WXQHHLMAZRVJGQ-NSHDSACASA-N 1 2 326.366 3.969 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(N3CCCC3=O)ccc2F)c(C)[nH+]1 ZINC000172738115 1030988169 /nfs/dbraw/zinc/98/81/69/1030988169.db2.gz OKXFAAPYEIRDRT-UHFFFAOYSA-N 1 2 341.386 3.525 20 0 EHADLO C[C@@H](CC(=O)N(Cc1cccc(F)c1)C1CCCC1)n1cc[nH+]c1 ZINC000583874870 1031003739 /nfs/dbraw/zinc/00/37/39/1031003739.db2.gz NHRMWBUOPFTJKV-HNNXBMFYSA-N 1 2 329.419 3.945 20 0 EHADLO C[C@H](CC(=O)N(Cc1cccc(F)c1)C1CCCC1)n1cc[nH+]c1 ZINC000583874871 1031005741 /nfs/dbraw/zinc/00/57/41/1031005741.db2.gz NHRMWBUOPFTJKV-OAHLLOKOSA-N 1 2 329.419 3.945 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000583880991 1031026599 /nfs/dbraw/zinc/02/65/99/1031026599.db2.gz OWDHBPRBJPKFIQ-JTQLQIEISA-N 1 2 326.425 3.714 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000583880991 1031026619 /nfs/dbraw/zinc/02/66/19/1031026619.db2.gz OWDHBPRBJPKFIQ-JTQLQIEISA-N 1 2 326.425 3.714 20 0 EHADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCC2CCC2)cc1 ZINC000172898785 1031026659 /nfs/dbraw/zinc/02/66/59/1031026659.db2.gz XBDMTFDPSIGALJ-UHFFFAOYSA-N 1 2 328.485 3.755 20 0 EHADLO CCCOc1cccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527620535 1031044762 /nfs/dbraw/zinc/04/47/62/1031044762.db2.gz VDJYTHBMORISSY-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO CCCOc1cccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527620535 1031044776 /nfs/dbraw/zinc/04/47/76/1031044776.db2.gz VDJYTHBMORISSY-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO CCc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000042625035 1031048443 /nfs/dbraw/zinc/04/84/43/1031048443.db2.gz JCGZQYXOADHYHM-UHFFFAOYSA-N 1 2 340.496 3.731 20 0 EHADLO CCc1ccccc1NC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042625083 1031048475 /nfs/dbraw/zinc/04/84/75/1031048475.db2.gz DDJHWQZHWQREQD-UHFFFAOYSA-N 1 2 340.496 3.731 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(F)ccc2F)c(F)cc1OC ZINC000527655507 1031115687 /nfs/dbraw/zinc/11/56/87/1031115687.db2.gz HEISQWRQLVIIFN-UHFFFAOYSA-N 1 2 325.330 3.801 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483362213 1031122425 /nfs/dbraw/zinc/12/24/25/1031122425.db2.gz XQBOPDRSVDWNNJ-ACJLOTCBSA-N 1 2 325.399 3.686 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483362213 1031122436 /nfs/dbraw/zinc/12/24/36/1031122436.db2.gz XQBOPDRSVDWNNJ-ACJLOTCBSA-N 1 2 325.399 3.686 20 0 EHADLO Cc1cc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)ccc1Cl ZINC000551199224 1031134566 /nfs/dbraw/zinc/13/45/66/1031134566.db2.gz XLPPWCJYQVAFGA-QGZVFWFLSA-N 1 2 344.821 3.827 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc(C(F)(F)F)c1 ZINC000527686649 1031150064 /nfs/dbraw/zinc/15/00/64/1031150064.db2.gz HQKPDEWGEKSRGP-JTQLQIEISA-N 1 2 342.365 3.806 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC000483427766 1031161607 /nfs/dbraw/zinc/16/16/07/1031161607.db2.gz KQVUURXNJAVVME-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC000483427766 1031161614 /nfs/dbraw/zinc/16/16/14/1031161614.db2.gz KQVUURXNJAVVME-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@@H]2CN(Cc3c[nH+]c4ccc(C)cn34)CCO2)cc1 ZINC000483433296 1031165271 /nfs/dbraw/zinc/16/52/71/1031165271.db2.gz AWIDLJROOVBUCS-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)s1 ZINC000122051402 1031190903 /nfs/dbraw/zinc/19/09/03/1031190903.db2.gz NICKXBBLPYYQSP-AEGPPILISA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)s1 ZINC000122051402 1031190912 /nfs/dbraw/zinc/19/09/12/1031190912.db2.gz NICKXBBLPYYQSP-AEGPPILISA-N 1 2 337.533 3.702 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1nccs1 ZINC000152619903 1031205371 /nfs/dbraw/zinc/20/53/71/1031205371.db2.gz QRWDDXWZSSQSKY-SGTLLEGYSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527754472 1031208204 /nfs/dbraw/zinc/20/82/04/1031208204.db2.gz WTRRMWUKMZAWSH-MRVPVSSYSA-N 1 2 330.176 3.610 20 0 EHADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527754472 1031208211 /nfs/dbraw/zinc/20/82/11/1031208211.db2.gz WTRRMWUKMZAWSH-MRVPVSSYSA-N 1 2 330.176 3.610 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+](Cc1cc(C)on1)C(C)(C)C ZINC000132001942 1031211754 /nfs/dbraw/zinc/21/17/54/1031211754.db2.gz SRGBKDAZDQREBL-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1cc(C)on1)C(C)(C)C ZINC000132001942 1031211763 /nfs/dbraw/zinc/21/17/63/1031211763.db2.gz SRGBKDAZDQREBL-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477076929 1031234926 /nfs/dbraw/zinc/23/49/26/1031234926.db2.gz XWKGSCDWBUIBOE-UHFFFAOYSA-N 1 2 326.440 3.610 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477076929 1031234936 /nfs/dbraw/zinc/23/49/36/1031234936.db2.gz XWKGSCDWBUIBOE-UHFFFAOYSA-N 1 2 326.440 3.610 20 0 EHADLO Brc1cnc(C[NH2+][C@H](c2ccccn2)C2CCC2)s1 ZINC000527774023 1031236956 /nfs/dbraw/zinc/23/69/56/1031236956.db2.gz VWCNDDWWANEEAD-AWEZNQCLSA-N 1 2 338.274 3.932 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3scnc3C(C)C)CC2)c1 ZINC000448577085 1031242622 /nfs/dbraw/zinc/24/26/22/1031242622.db2.gz GSLZGJPKIWVOBO-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000343533156 1031279309 /nfs/dbraw/zinc/27/93/09/1031279309.db2.gz PXCFLTWCKCXOBU-UXHICEINSA-N 1 2 347.418 3.557 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448590560 1031289857 /nfs/dbraw/zinc/28/98/57/1031289857.db2.gz CYWSKUHSFCGMNG-HKUYNNGSSA-N 1 2 330.472 3.674 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448590562 1031290373 /nfs/dbraw/zinc/29/03/73/1031290373.db2.gz CYWSKUHSFCGMNG-MJGOQNOKSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)(C)c1nn(Cc2ccccc2)cc1CNc1cc[nH+]cc1F ZINC000483833092 1031366348 /nfs/dbraw/zinc/36/63/48/1031366348.db2.gz NLZLJNZWTUSHNT-UHFFFAOYSA-N 1 2 338.430 3.797 20 0 EHADLO CC1CCN(C(=O)C2CCN(c3[nH+]ccc4ccccc43)CC2)CC1 ZINC000527850708 1031367040 /nfs/dbraw/zinc/36/70/40/1031367040.db2.gz KHNRHZMLTXMQLR-UHFFFAOYSA-N 1 2 337.467 3.710 20 0 EHADLO Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cnn1C1CCCC1 ZINC000278562016 1031396879 /nfs/dbraw/zinc/39/68/79/1031396879.db2.gz JNMAMRSTRSJUQW-UHFFFAOYSA-N 1 2 349.438 3.804 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C2 ZINC000483972945 1031412625 /nfs/dbraw/zinc/41/26/25/1031412625.db2.gz BFHNJCIJUQYFBO-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C2 ZINC000483972945 1031412642 /nfs/dbraw/zinc/41/26/42/1031412642.db2.gz BFHNJCIJUQYFBO-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO O=C(c1c[nH]cc1-c1ccccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278570702 1031420909 /nfs/dbraw/zinc/42/09/09/1031420909.db2.gz GKAXOHCWUKOQJH-CYBMUJFWSA-N 1 2 338.386 3.564 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569277 1031428543 /nfs/dbraw/zinc/42/85/43/1031428543.db2.gz BXOLIHJXBGBYHR-FZMZJTMJSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569277 1031428554 /nfs/dbraw/zinc/42/85/54/1031428554.db2.gz BXOLIHJXBGBYHR-FZMZJTMJSA-N 1 2 346.780 3.720 20 0 EHADLO C[N@H+](Cc1cccs1)Cc1cc2c(cc1Br)OCO2 ZINC000477351263 1031487868 /nfs/dbraw/zinc/48/78/68/1031487868.db2.gz LDCRKOQAUUUSHT-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO C[N@@H+](Cc1cccs1)Cc1cc2c(cc1Br)OCO2 ZINC000477351263 1031487879 /nfs/dbraw/zinc/48/78/79/1031487879.db2.gz LDCRKOQAUUUSHT-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000565867194 1031492323 /nfs/dbraw/zinc/49/23/23/1031492323.db2.gz KATAKAZRWSZCDM-UHFFFAOYSA-N 1 2 333.391 3.758 20 0 EHADLO COCCC1CC[NH+]([C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000527934523 1031497811 /nfs/dbraw/zinc/49/78/11/1031497811.db2.gz JDCXCOVLDVITKA-NSHDSACASA-N 1 2 345.256 3.793 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H]1C ZINC000448726389 1031514628 /nfs/dbraw/zinc/51/46/28/1031514628.db2.gz QTCANOCQIKGXMJ-RYRKJORJSA-N 1 2 329.488 3.760 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177211158 1031520108 /nfs/dbraw/zinc/52/01/08/1031520108.db2.gz KHHKUKKXMKQILA-ILXRZTDVSA-N 1 2 339.505 3.663 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177211158 1031520114 /nfs/dbraw/zinc/52/01/14/1031520114.db2.gz KHHKUKKXMKQILA-ILXRZTDVSA-N 1 2 339.505 3.663 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343588044 1031528092 /nfs/dbraw/zinc/52/80/92/1031528092.db2.gz HIJVXYBMODZQPG-PMACEKPBSA-N 1 2 331.419 3.938 20 0 EHADLO CC(C)C(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000194812813 1031540512 /nfs/dbraw/zinc/54/05/12/1031540512.db2.gz MRFRAEBKSGBNRT-UHFFFAOYSA-N 1 2 342.487 3.659 20 0 EHADLO COC(=O)c1sccc1C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000088485015 1031545101 /nfs/dbraw/zinc/54/51/01/1031545101.db2.gz JZYRXXPQUBMDOD-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000088485015 1031545109 /nfs/dbraw/zinc/54/51/09/1031545109.db2.gz JZYRXXPQUBMDOD-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080617087 1031547236 /nfs/dbraw/zinc/54/72/36/1031547236.db2.gz ABDDYXAOTBKUFD-RTBURBONSA-N 1 2 340.471 3.559 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000177585001 1031578629 /nfs/dbraw/zinc/57/86/29/1031578629.db2.gz LXEUULGTOPWLOF-LJQANCHMSA-N 1 2 346.390 3.516 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000347440569 1031588698 /nfs/dbraw/zinc/58/86/98/1031588698.db2.gz KLLNHCJABJKILZ-INIZCTEOSA-N 1 2 335.407 3.700 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000177907841 1031592700 /nfs/dbraw/zinc/59/27/00/1031592700.db2.gz GDSKKUJSDSGNCE-LBPRGKRZSA-N 1 2 328.803 3.548 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000178018964 1031608811 /nfs/dbraw/zinc/60/88/11/1031608811.db2.gz MKPOQBCLRHFRGT-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000178018964 1031608822 /nfs/dbraw/zinc/60/88/22/1031608822.db2.gz MKPOQBCLRHFRGT-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[C@@H]1C1CC1 ZINC000528036288 1031618289 /nfs/dbraw/zinc/61/82/89/1031618289.db2.gz QWEJDJKORAPIPF-IJONRSMUSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000667016886 1031666441 /nfs/dbraw/zinc/66/64/41/1031666441.db2.gz BLXOOPPVARSBGM-KGLIPLIRSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000667016886 1031666453 /nfs/dbraw/zinc/66/64/53/1031666453.db2.gz BLXOOPPVARSBGM-KGLIPLIRSA-N 1 2 347.484 3.785 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CC(C)(C)OC4(C)C)n3)[nH+]c12 ZINC000528121869 1031715733 /nfs/dbraw/zinc/71/57/33/1031715733.db2.gz RHRGJASDVIPIAC-CQSZACIVSA-N 1 2 340.427 3.678 20 0 EHADLO Cc1cc(C)c(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000179715561 1031769826 /nfs/dbraw/zinc/76/98/26/1031769826.db2.gz SHRXJAPCROGFMD-UHFFFAOYSA-N 1 2 347.462 3.716 20 0 EHADLO CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117601264 1031777928 /nfs/dbraw/zinc/77/79/28/1031777928.db2.gz JHYMZXPYTJUQLB-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4cscc4s3)n2)C1 ZINC000528155433 1031808173 /nfs/dbraw/zinc/80/81/73/1031808173.db2.gz JYYRTZVWHBLIOP-NSHDSACASA-N 1 2 335.454 3.795 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4cscc4s3)n2)C1 ZINC000528155433 1031808190 /nfs/dbraw/zinc/80/81/90/1031808190.db2.gz JYYRTZVWHBLIOP-NSHDSACASA-N 1 2 335.454 3.795 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc(C)c(C)s1 ZINC000477758176 1031837039 /nfs/dbraw/zinc/83/70/39/1031837039.db2.gz AWCBGVFXYUQWIW-HOTGVXAUSA-N 1 2 336.501 3.704 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc(C)c(C)s1 ZINC000477758176 1031837052 /nfs/dbraw/zinc/83/70/52/1031837052.db2.gz AWCBGVFXYUQWIW-HOTGVXAUSA-N 1 2 336.501 3.704 20 0 EHADLO CCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)no1 ZINC000484654765 1031848004 /nfs/dbraw/zinc/84/80/04/1031848004.db2.gz RTOQMCNZKSNYDM-NVXWUHKLSA-N 1 2 329.444 3.810 20 0 EHADLO O=C(CCCC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000537736539 1031877416 /nfs/dbraw/zinc/87/74/16/1031877416.db2.gz DVBNXMJOBHSNSO-VMPITWQZSA-N 1 2 340.389 3.577 20 0 EHADLO COc1ccccc1CC(C)(C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269441 1031895527 /nfs/dbraw/zinc/89/55/27/1031895527.db2.gz GKYOMFZZQBCMIW-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000904268505 1031896191 /nfs/dbraw/zinc/89/61/91/1031896191.db2.gz SSWUQIGKLQTUBH-BONVTDFDSA-N 1 2 342.424 3.501 20 0 EHADLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(-c2ccccc2)n1 ZINC000180713129 1031902060 /nfs/dbraw/zinc/90/20/60/1031902060.db2.gz JJCXSAOZFCATMT-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928103 1031902978 /nfs/dbraw/zinc/90/29/78/1031902978.db2.gz KPZQVWBYCLISEE-MSOLQXFVSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000904261203 1031905905 /nfs/dbraw/zinc/90/59/05/1031905905.db2.gz YJPMBPKWTDMUNP-UZLBHIALSA-N 1 2 332.407 3.784 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(C)(C)c4ccccc43)[nH+]c12 ZINC000685275058 1031915982 /nfs/dbraw/zinc/91/59/82/1031915982.db2.gz KCUYSAPUSOAUCB-UHFFFAOYSA-N 1 2 333.435 3.900 20 0 EHADLO CCC(CC)N(CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000584205414 1031937095 /nfs/dbraw/zinc/93/70/95/1031937095.db2.gz LPNVQKJFOGTDJB-UHFFFAOYSA-N 1 2 342.487 3.694 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000159206052 1031939850 /nfs/dbraw/zinc/93/98/50/1031939850.db2.gz RSHYAJAXMIEHQQ-UHFFFAOYSA-N 1 2 346.381 3.647 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000159206052 1031939859 /nfs/dbraw/zinc/93/98/59/1031939859.db2.gz RSHYAJAXMIEHQQ-UHFFFAOYSA-N 1 2 346.381 3.647 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000181042918 1031942218 /nfs/dbraw/zinc/94/22/18/1031942218.db2.gz BCCOCWAIKSJVHY-LJQANCHMSA-N 1 2 326.440 3.964 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000181042918 1031942231 /nfs/dbraw/zinc/94/22/31/1031942231.db2.gz BCCOCWAIKSJVHY-LJQANCHMSA-N 1 2 326.440 3.964 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347473862 1031974358 /nfs/dbraw/zinc/97/43/58/1031974358.db2.gz VKABURQROXMXKI-OAHLLOKOSA-N 1 2 331.485 3.519 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000347475513 1031977699 /nfs/dbraw/zinc/97/76/99/1031977699.db2.gz XRLOENGBMOPNDC-NVXWUHKLSA-N 1 2 341.455 3.617 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000347479385 1031983464 /nfs/dbraw/zinc/98/34/64/1031983464.db2.gz GBWZJBPBSNSMEI-INIZCTEOSA-N 1 2 345.874 3.802 20 0 EHADLO Fc1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000343701899 1032002143 /nfs/dbraw/zinc/00/21/43/1032002143.db2.gz GUWQYIQXQQOCGF-MRXNPFEDSA-N 1 2 330.794 3.519 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4coc(C5CCC5)n4)n3)[nH+]c12 ZINC000685278384 1032017167 /nfs/dbraw/zinc/01/71/67/1032017167.db2.gz XBWFTFZSDUBRBH-UHFFFAOYSA-N 1 2 335.367 3.539 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000459399560 1032038473 /nfs/dbraw/zinc/03/84/73/1032038473.db2.gz VHVUCSBTOBZWNH-CQSZACIVSA-N 1 2 331.416 3.513 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343712887 1032038728 /nfs/dbraw/zinc/03/87/28/1032038728.db2.gz LOGXEBOAQLTJLH-QGZVFWFLSA-N 1 2 349.409 3.568 20 0 EHADLO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000898029444 1033296318 /nfs/dbraw/zinc/29/63/18/1033296318.db2.gz RMUTYXRIIUVZRN-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000449832717 1033303772 /nfs/dbraw/zinc/30/37/72/1033303772.db2.gz CHOTZXLKJPFYPI-INIZCTEOSA-N 1 2 341.455 3.997 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)n1cc[nH+]c1 ZINC000574576131 1033304390 /nfs/dbraw/zinc/30/43/90/1033304390.db2.gz IIQGLDJSULSNFH-LBPRGKRZSA-N 1 2 326.400 3.912 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCOc3ccc(F)cc3)n2)cc1 ZINC000607763782 1033304662 /nfs/dbraw/zinc/30/46/62/1033304662.db2.gz XERHLKPAPBTTPG-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCOc3ccc(F)cc3)n2)cc1 ZINC000607763782 1033304675 /nfs/dbraw/zinc/30/46/75/1033304675.db2.gz XERHLKPAPBTTPG-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416339 1033306341 /nfs/dbraw/zinc/30/63/41/1033306341.db2.gz KQVYHFVTGMHPNM-GWCFXTLKSA-N 1 2 347.768 3.667 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416339 1033306349 /nfs/dbraw/zinc/30/63/49/1033306349.db2.gz KQVYHFVTGMHPNM-GWCFXTLKSA-N 1 2 347.768 3.667 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@H](c2ccccc2)C1 ZINC000607773082 1033309382 /nfs/dbraw/zinc/30/93/82/1033309382.db2.gz OOYPILFOFRAFMC-KRWDZBQOSA-N 1 2 338.382 3.701 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@H](c2ccccc2)C1 ZINC000607773082 1033309394 /nfs/dbraw/zinc/30/93/94/1033309394.db2.gz OOYPILFOFRAFMC-KRWDZBQOSA-N 1 2 338.382 3.701 20 0 EHADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000685427069 1033318076 /nfs/dbraw/zinc/31/80/76/1033318076.db2.gz SMMFIZVWBYSPRU-SECBINFHSA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000685427069 1033318091 /nfs/dbraw/zinc/31/80/91/1033318091.db2.gz SMMFIZVWBYSPRU-SECBINFHSA-N 1 2 326.206 3.714 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000598594548 1033319084 /nfs/dbraw/zinc/31/90/84/1033319084.db2.gz ASIQMPCHIDXTQF-FQEVSTJZSA-N 1 2 338.451 3.529 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1ccnc(C)c1)C1CC1 ZINC000598594548 1033319102 /nfs/dbraw/zinc/31/91/02/1033319102.db2.gz ASIQMPCHIDXTQF-FQEVSTJZSA-N 1 2 338.451 3.529 20 0 EHADLO FC(F)O[C@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000685427078 1033319183 /nfs/dbraw/zinc/31/91/83/1033319183.db2.gz SMMFIZVWBYSPRU-VIFPVBQESA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000685427078 1033319198 /nfs/dbraw/zinc/31/91/98/1033319198.db2.gz SMMFIZVWBYSPRU-VIFPVBQESA-N 1 2 326.206 3.714 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc(C(C)C)nc2C)cc1OC ZINC000842022164 1033326435 /nfs/dbraw/zinc/32/64/35/1033326435.db2.gz WXZWJFCXZSUFME-UHFFFAOYSA-N 1 2 343.427 3.577 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OCC4CC4)cc3)[nH+]c12 ZINC000603128337 1033393178 /nfs/dbraw/zinc/39/31/78/1033393178.db2.gz IOZJBCWFENTUBA-UHFFFAOYSA-N 1 2 335.407 3.613 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000607900266 1033398892 /nfs/dbraw/zinc/39/88/92/1033398892.db2.gz HPMUCGVZLPWYMC-SFHVURJKSA-N 1 2 339.439 3.705 20 0 EHADLO CC(C)(C)c1coc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000898300907 1033444072 /nfs/dbraw/zinc/44/40/72/1033444072.db2.gz KOVKLNXKEHXDFT-AWEZNQCLSA-N 1 2 338.411 3.856 20 0 EHADLO C[C@H](CCc1ccco1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616973 1033467541 /nfs/dbraw/zinc/46/75/41/1033467541.db2.gz YRWIDJNHGICGLN-QAPCUYQASA-N 1 2 344.455 3.538 20 0 EHADLO Cn1cc(C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)nn1 ZINC000608053303 1033470593 /nfs/dbraw/zinc/47/05/93/1033470593.db2.gz OKAYVTCWXNTCBP-IBGZPJMESA-N 1 2 338.480 3.635 20 0 EHADLO Cc1cc(C)cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000598806016 1033473626 /nfs/dbraw/zinc/47/36/26/1033473626.db2.gz ZEVHNFHHMRNYCZ-UHFFFAOYSA-N 1 2 349.434 3.853 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c(C)o1 ZINC000594614858 1033478211 /nfs/dbraw/zinc/47/82/11/1033478211.db2.gz PGRRQROFOQGBAT-UHFFFAOYSA-N 1 2 329.730 3.596 20 0 EHADLO C[C@H](CNC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)Cn1cc[nH+]c1 ZINC000449957120 1033490875 /nfs/dbraw/zinc/49/08/75/1033490875.db2.gz BUYKNSLFWDCTHQ-INWMFGNUSA-N 1 2 349.837 3.622 20 0 EHADLO O=C1Nc2ccc(F)cc2C2(C[NH+](C[C@H]3CCc4ccccc43)C2)O1 ZINC000898370647 1033514489 /nfs/dbraw/zinc/51/44/89/1033514489.db2.gz IPWSVCQKCAJRHX-CQSZACIVSA-N 1 2 338.382 3.629 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cs1 ZINC000594788157 1033518858 /nfs/dbraw/zinc/51/88/58/1033518858.db2.gz IMMWHAIJDMUBKW-UHFFFAOYSA-N 1 2 331.485 3.948 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2C[C@H]2C1 ZINC000666894236 1033537244 /nfs/dbraw/zinc/53/72/44/1033537244.db2.gz IRKJKASTHLZYFQ-HOCLYGCPSA-N 1 2 336.439 3.760 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472341088 1033547573 /nfs/dbraw/zinc/54/75/73/1033547573.db2.gz WPFPBRUZGMBQEN-SFHVURJKSA-N 1 2 330.403 3.678 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000472341088 1033547581 /nfs/dbraw/zinc/54/75/81/1033547581.db2.gz WPFPBRUZGMBQEN-SFHVURJKSA-N 1 2 330.403 3.678 20 0 EHADLO CCc1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000685598186 1033604454 /nfs/dbraw/zinc/60/44/54/1033604454.db2.gz KMJTWVJFTWUMJG-SFHVURJKSA-N 1 2 337.423 3.714 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000685597372 1033604767 /nfs/dbraw/zinc/60/47/67/1033604767.db2.gz MNFAXPIZQPJIJK-GOSISDBHSA-N 1 2 347.462 3.968 20 0 EHADLO Cc1ccc(CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C2CC2)o1 ZINC000685623659 1033635436 /nfs/dbraw/zinc/63/54/36/1033635436.db2.gz GOYIWBNRHSGQCQ-UHFFFAOYSA-N 1 2 349.434 3.567 20 0 EHADLO c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]Cc1n[nH]c2ccccc21 ZINC000685630164 1033643345 /nfs/dbraw/zinc/64/33/45/1033643345.db2.gz RFKHJSJOVSSLOF-FQEVSTJZSA-N 1 2 333.435 3.747 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc2ccccc2[nH]1 ZINC000107178514 1033650681 /nfs/dbraw/zinc/65/06/81/1033650681.db2.gz QGFFTKXJXIASCC-UHFFFAOYSA-N 1 2 348.450 3.873 20 0 EHADLO C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000608433718 1033685972 /nfs/dbraw/zinc/68/59/72/1033685972.db2.gz FWRUWEFDFXUHLD-YJBOKZPZSA-N 1 2 340.471 3.582 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@H]3C[C@H]31)oc1ccccc12 ZINC000761092006 1033700011 /nfs/dbraw/zinc/70/00/11/1033700011.db2.gz KPGJNKRXEGLMMY-BLLLJJGKSA-N 1 2 336.391 3.627 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@H]3C[C@H]31)oc1ccccc12 ZINC000761092006 1033700022 /nfs/dbraw/zinc/70/00/22/1033700022.db2.gz KPGJNKRXEGLMMY-BLLLJJGKSA-N 1 2 336.391 3.627 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@@]3(C)C(C)C)CC2)c1 ZINC000476376962 1033700490 /nfs/dbraw/zinc/70/04/90/1033700490.db2.gz RXLBBBUMZRVVER-SCWSEQNSSA-N 1 2 344.499 3.583 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@]3(C)C(C)C)CC2)c1 ZINC000476376960 1033700943 /nfs/dbraw/zinc/70/09/43/1033700943.db2.gz RXLBBBUMZRVVER-NBHGPNQESA-N 1 2 344.499 3.583 20 0 EHADLO CC1=NN(c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC000046118829 1033728938 /nfs/dbraw/zinc/72/89/38/1033728938.db2.gz MZEGFYQSBRHCEZ-UHFFFAOYSA-N 1 2 345.406 3.711 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccnc1N1CCCCC1 ZINC000046105548 1033730526 /nfs/dbraw/zinc/73/05/26/1033730526.db2.gz WZAHMCCUZQHXBP-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000093359371 1033797303 /nfs/dbraw/zinc/79/73/03/1033797303.db2.gz VJSVIJOZLAWIQR-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000093359371 1033797313 /nfs/dbraw/zinc/79/73/13/1033797313.db2.gz VJSVIJOZLAWIQR-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC2(C)C)cc(Br)c1OC ZINC000093460351 1033799437 /nfs/dbraw/zinc/79/94/37/1033799437.db2.gz WVJDTNDFQXOKTP-UHFFFAOYSA-N 1 2 328.250 3.841 20 0 EHADLO CCOc1cc(C[N@H+]2CCC2(C)C)cc(Br)c1OC ZINC000093460351 1033799451 /nfs/dbraw/zinc/79/94/51/1033799451.db2.gz WVJDTNDFQXOKTP-UHFFFAOYSA-N 1 2 328.250 3.841 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450158343 1033825074 /nfs/dbraw/zinc/82/50/74/1033825074.db2.gz JKKNGRGAFHHUOC-ZBFHGGJFSA-N 1 2 349.837 3.718 20 0 EHADLO COc1ccccc1Cc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761330173 1033837641 /nfs/dbraw/zinc/83/76/41/1033837641.db2.gz IFYQMHMVISGPDV-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO COc1ccc(C[N@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450216649 1033915982 /nfs/dbraw/zinc/91/59/82/1033915982.db2.gz QTWVDAGVRPFHQB-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450216649 1033915991 /nfs/dbraw/zinc/91/59/91/1033915991.db2.gz QTWVDAGVRPFHQB-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)c(Br)c1 ZINC000658095898 1033925549 /nfs/dbraw/zinc/92/55/49/1033925549.db2.gz ANVAYNBJRDHHCU-VYUIOLGVSA-N 1 2 339.212 3.536 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000658096266 1033926520 /nfs/dbraw/zinc/92/65/20/1033926520.db2.gz BWGSTLKAZQSREB-DZKIICNBSA-N 1 2 344.459 3.822 20 0 EHADLO C[C@@](CO)([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000599441800 1033928617 /nfs/dbraw/zinc/92/86/17/1033928617.db2.gz CRWUDIRTYXZMKW-FQEVSTJZSA-N 1 2 338.476 3.731 20 0 EHADLO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000608898121 1033950508 /nfs/dbraw/zinc/95/05/08/1033950508.db2.gz OXQSPRHQLJTZIO-UHFFFAOYSA-N 1 2 349.818 3.521 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000455969432 1033993931 /nfs/dbraw/zinc/99/39/31/1033993931.db2.gz XOJMKEYZWXOMEU-UHFFFAOYSA-N 1 2 341.459 3.805 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000455969432 1033993939 /nfs/dbraw/zinc/99/39/39/1033993939.db2.gz XOJMKEYZWXOMEU-UHFFFAOYSA-N 1 2 341.459 3.805 20 0 EHADLO CC(C)OC(=O)CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595845549 1034007721 /nfs/dbraw/zinc/00/77/21/1034007721.db2.gz OVYWDZUDFQPXAJ-CQSZACIVSA-N 1 2 326.234 3.538 20 0 EHADLO CC(C)OC(=O)CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595845549 1034007737 /nfs/dbraw/zinc/00/77/37/1034007737.db2.gz OVYWDZUDFQPXAJ-CQSZACIVSA-N 1 2 326.234 3.538 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc2n(n1)CCCC2 ZINC000658171709 1034037130 /nfs/dbraw/zinc/03/71/30/1034037130.db2.gz JWDZEGFOOWEWDM-ZDUSSCGKSA-N 1 2 329.419 3.751 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cn2ccccc2n1 ZINC000658172118 1034037932 /nfs/dbraw/zinc/03/79/32/1034037932.db2.gz QFKSEXLTGOZHFW-CYBMUJFWSA-N 1 2 325.387 3.865 20 0 EHADLO FC(F)(F)c1cc(CNc2ccc[nH+]c2N2CCOCC2)cs1 ZINC000623471768 1034043935 /nfs/dbraw/zinc/04/39/35/1034043935.db2.gz RKPGHEUQWMTEFR-UHFFFAOYSA-N 1 2 343.374 3.611 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(=S)n1C ZINC000171090777 1034058342 /nfs/dbraw/zinc/05/83/42/1034058342.db2.gz DEJGEKHNJKCGOI-MRXNPFEDSA-N 1 2 348.491 3.878 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(=S)n1C ZINC000171090777 1034058357 /nfs/dbraw/zinc/05/83/57/1034058357.db2.gz DEJGEKHNJKCGOI-MRXNPFEDSA-N 1 2 348.491 3.878 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000596075581 1034070247 /nfs/dbraw/zinc/07/02/47/1034070247.db2.gz HUGCMOOMXWQXQP-CQSZACIVSA-N 1 2 332.400 3.585 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(F)cc2C(F)(F)F)c1 ZINC000596078796 1034071779 /nfs/dbraw/zinc/07/17/79/1034071779.db2.gz TVSLHYBPACYICF-UHFFFAOYSA-N 1 2 342.292 3.567 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000596151509 1034092748 /nfs/dbraw/zinc/09/27/48/1034092748.db2.gz QNNJZPDSVXFPOW-OLZOCXBDSA-N 1 2 330.350 3.578 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ncc(Br)cc2F)cc1 ZINC000529516281 1034098032 /nfs/dbraw/zinc/09/80/32/1034098032.db2.gz HWPMTNYBSPWBOG-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ncc(Br)cc2F)cc1 ZINC000529516281 1034098042 /nfs/dbraw/zinc/09/80/42/1034098042.db2.gz HWPMTNYBSPWBOG-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000596194396 1034106645 /nfs/dbraw/zinc/10/66/45/1034106645.db2.gz FENLXXQTLRXIHT-UHFFFAOYSA-N 1 2 344.842 3.835 20 0 EHADLO C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@H]1C(=O)OC(C)(C)C ZINC000596284607 1034142664 /nfs/dbraw/zinc/14/26/64/1034142664.db2.gz BCVPCUYJOPLJIM-XJKSGUPXSA-N 1 2 341.455 3.621 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000604034500 1034163785 /nfs/dbraw/zinc/16/37/85/1034163785.db2.gz NCYYTZDNZVWJDY-FGTMMUONSA-N 1 2 329.488 3.503 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529554500 1034186809 /nfs/dbraw/zinc/18/68/09/1034186809.db2.gz CADYXLANSVOAQU-JSGCOSHPSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529554500 1034186820 /nfs/dbraw/zinc/18/68/20/1034186820.db2.gz CADYXLANSVOAQU-JSGCOSHPSA-N 1 2 335.391 3.537 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421798143 1034217223 /nfs/dbraw/zinc/21/72/23/1034217223.db2.gz XTDDKULVNGDAHR-VBNZEHGJSA-N 1 2 336.838 3.531 20 0 EHADLO C[C@H](CCCO)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450382773 1034217257 /nfs/dbraw/zinc/21/72/57/1034217257.db2.gz YKATUZONNSLUJS-SECBINFHSA-N 1 2 327.197 3.709 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421798143 1034217240 /nfs/dbraw/zinc/21/72/40/1034217240.db2.gz XTDDKULVNGDAHR-VBNZEHGJSA-N 1 2 336.838 3.531 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ncccc1Oc1ccccc1 ZINC000347352943 1034231344 /nfs/dbraw/zinc/23/13/44/1034231344.db2.gz OPTGVHLDJABLKV-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Clc1ccccc1[C@H](CNCc1nccn1C1CC1)[NH+]1CCCC1 ZINC000892437105 1034291734 /nfs/dbraw/zinc/29/17/34/1034291734.db2.gz AITLZBLYKZAYMD-SFHVURJKSA-N 1 2 344.890 3.798 20 0 EHADLO F[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529623704 1034311102 /nfs/dbraw/zinc/31/11/02/1034311102.db2.gz SCEPJQKLMXPWBX-JTQLQIEISA-N 1 2 344.253 3.835 20 0 EHADLO F[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529623704 1034311112 /nfs/dbraw/zinc/31/11/12/1034311112.db2.gz SCEPJQKLMXPWBX-JTQLQIEISA-N 1 2 344.253 3.835 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604309470 1034322622 /nfs/dbraw/zinc/32/26/22/1034322622.db2.gz ZFZOKXUJIHTWPI-SFHVURJKSA-N 1 2 340.492 3.512 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000121003461 1034345631 /nfs/dbraw/zinc/34/56/31/1034345631.db2.gz YAPMWQUJIUPPQT-PXAZEXFGSA-N 1 2 349.452 3.652 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000121003461 1034345641 /nfs/dbraw/zinc/34/56/41/1034345641.db2.gz YAPMWQUJIUPPQT-PXAZEXFGSA-N 1 2 349.452 3.652 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299982 1034356798 /nfs/dbraw/zinc/35/67/98/1034356798.db2.gz QHLLIMUQOSFWBU-GJZGRUSLSA-N 1 2 345.240 3.625 20 0 EHADLO COc1c(Cl)cc(C[NH+]2CC([C@H](C)OC)C2)cc1Br ZINC001231730656 1034391280 /nfs/dbraw/zinc/39/12/80/1034391280.db2.gz SSJNGTVABVKTPK-VIFPVBQESA-N 1 2 348.668 3.578 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl ZINC000534341881 1034413199 /nfs/dbraw/zinc/41/31/99/1034413199.db2.gz GMZNHJRGFLRMBP-GFCCVEGCSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl ZINC000534341881 1034413209 /nfs/dbraw/zinc/41/32/09/1034413209.db2.gz GMZNHJRGFLRMBP-GFCCVEGCSA-N 1 2 337.769 3.892 20 0 EHADLO CCCn1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000534343077 1034413911 /nfs/dbraw/zinc/41/39/11/1034413911.db2.gz RJRFXFRIWBCKGY-IBGZPJMESA-N 1 2 337.471 3.907 20 0 EHADLO CCCn1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000534343077 1034413922 /nfs/dbraw/zinc/41/39/22/1034413922.db2.gz RJRFXFRIWBCKGY-IBGZPJMESA-N 1 2 337.471 3.907 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604651384 1034443317 /nfs/dbraw/zinc/44/33/17/1034443317.db2.gz VBMOIOXOMDATSG-OALUTQOASA-N 1 2 340.471 3.886 20 0 EHADLO C[C@@H](O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547855 1034505992 /nfs/dbraw/zinc/50/59/92/1034505992.db2.gz FBAKGXHRAPIIKA-ABAIWWIYSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547855 1034506005 /nfs/dbraw/zinc/50/60/05/1034506005.db2.gz FBAKGXHRAPIIKA-ABAIWWIYSA-N 1 2 345.270 3.557 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1F ZINC000597056102 1034512753 /nfs/dbraw/zinc/51/27/53/1034512753.db2.gz VTAOTQQRCFHUDN-UHFFFAOYSA-N 1 2 336.432 3.656 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000612226199 1034518080 /nfs/dbraw/zinc/51/80/80/1034518080.db2.gz LJKGWECVAIEHKC-GPMSIDNRSA-N 1 2 341.430 3.710 20 0 EHADLO O=C(c1nc2cc(Cl)ccc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000652001871 1034532230 /nfs/dbraw/zinc/53/22/30/1034532230.db2.gz SFNKMUGSIYICCQ-GFCCVEGCSA-N 1 2 346.843 3.624 20 0 EHADLO O=C(Oc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171665709 1034550268 /nfs/dbraw/zinc/55/02/68/1034550268.db2.gz SPBXBDCPPVZOBC-UHFFFAOYSA-N 1 2 330.290 3.693 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@](C)(COC)C1 ZINC000450605539 1034559560 /nfs/dbraw/zinc/55/95/60/1034559560.db2.gz PQRLUMVOAHIUND-FQEVSTJZSA-N 1 2 342.439 3.583 20 0 EHADLO CC(=O)c1ccc(F)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343812171 1034568007 /nfs/dbraw/zinc/56/80/07/1034568007.db2.gz BESXRBYNGNJCMP-UHFFFAOYSA-N 1 2 337.354 3.525 20 0 EHADLO CC1(C)C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000604999908 1034583877 /nfs/dbraw/zinc/58/38/77/1034583877.db2.gz XZNYADLRJYELCV-UHFFFAOYSA-N 1 2 328.243 3.642 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000604999908 1034583883 /nfs/dbraw/zinc/58/38/83/1034583883.db2.gz XZNYADLRJYELCV-UHFFFAOYSA-N 1 2 328.243 3.642 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000246989770 1034636797 /nfs/dbraw/zinc/63/67/97/1034636797.db2.gz WHMFUVMPHIBAHH-VYDXJSESSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000605156207 1034653612 /nfs/dbraw/zinc/65/36/12/1034653612.db2.gz NHVZOTUJFXYOSJ-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000605156207 1034653619 /nfs/dbraw/zinc/65/36/19/1034653619.db2.gz NHVZOTUJFXYOSJ-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000450665383 1034664063 /nfs/dbraw/zinc/66/40/63/1034664063.db2.gz FYFIIJOUJHLBJG-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(F)cc1F ZINC000450673049 1034673862 /nfs/dbraw/zinc/67/38/62/1034673862.db2.gz NMHAGPLNBQXNCX-CQSZACIVSA-N 1 2 333.304 3.965 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)C1CC(O)C1 ZINC000761222209 1034763528 /nfs/dbraw/zinc/76/35/28/1034763528.db2.gz IXUZUUUBUGHCGV-UHFFFAOYSA-N 1 2 347.890 3.663 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)C1CC(O)C1 ZINC000761222209 1034763543 /nfs/dbraw/zinc/76/35/43/1034763543.db2.gz IXUZUUUBUGHCGV-UHFFFAOYSA-N 1 2 347.890 3.663 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000529938226 1034795844 /nfs/dbraw/zinc/79/58/44/1034795844.db2.gz KHRVHJRESDZWEG-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456855038 1034811202 /nfs/dbraw/zinc/81/12/02/1034811202.db2.gz RCDLEDUYRLNHOK-NVXWUHKLSA-N 1 2 327.403 3.641 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C[C@H]1n1cc[nH+]c1 ZINC000612349035 1034823021 /nfs/dbraw/zinc/82/30/21/1034823021.db2.gz BAGZJPHAWUYOGD-BLIXFSHQSA-N 1 2 337.467 3.661 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000612349319 1034823866 /nfs/dbraw/zinc/82/38/66/1034823866.db2.gz CPXPDMLOZVUHHG-YJNKXOJESA-N 1 2 343.393 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000612348446 1034823919 /nfs/dbraw/zinc/82/39/19/1034823919.db2.gz ZBIPZIQKBWQOSF-NXWXRZEISA-N 1 2 329.488 3.899 20 0 EHADLO C[C@@H](c1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1)C(F)(F)F ZINC000450850027 1034862588 /nfs/dbraw/zinc/86/25/88/1034862588.db2.gz ZSOYIMXUOLCFEQ-UPJWGTAASA-N 1 2 333.419 3.694 20 0 EHADLO COc1cncc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000343821479 1034878615 /nfs/dbraw/zinc/87/86/15/1034878615.db2.gz RLPVAURANMWEPX-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO Oc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000278795006 1034884208 /nfs/dbraw/zinc/88/42/08/1034884208.db2.gz XCFGGCANVWUUAH-LLVKDONJSA-N 1 2 343.324 3.653 20 0 EHADLO Oc1cc(F)cc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000278795006 1034884213 /nfs/dbraw/zinc/88/42/13/1034884213.db2.gz XCFGGCANVWUUAH-LLVKDONJSA-N 1 2 343.324 3.653 20 0 EHADLO CC1(C)CCc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2O1 ZINC000530043792 1034906923 /nfs/dbraw/zinc/90/69/23/1034906923.db2.gz PTTOYRIAWQEIAX-UHFFFAOYSA-N 1 2 348.406 3.623 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000612434690 1034929744 /nfs/dbraw/zinc/92/97/44/1034929744.db2.gz UMASMCWZRCGALM-AWEZNQCLSA-N 1 2 331.847 3.788 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934423 1034951470 /nfs/dbraw/zinc/95/14/70/1034951470.db2.gz WFYMFSRCRBLINJ-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934423 1034951476 /nfs/dbraw/zinc/95/14/76/1034951476.db2.gz WFYMFSRCRBLINJ-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1 ZINC000530106936 1034967024 /nfs/dbraw/zinc/96/70/24/1034967024.db2.gz BGLCAXWJUMYOSP-NSHDSACASA-N 1 2 332.275 3.656 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1 ZINC000530106936 1034967012 /nfs/dbraw/zinc/96/70/12/1034967012.db2.gz BGLCAXWJUMYOSP-NSHDSACASA-N 1 2 332.275 3.656 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2cccc(Cl)c21 ZINC000612512055 1035018812 /nfs/dbraw/zinc/01/88/12/1035018812.db2.gz XFDKTHCGGVWLCS-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000451011318 1035028402 /nfs/dbraw/zinc/02/84/02/1035028402.db2.gz CSRAYSVTBYPKNI-LJQANCHMSA-N 1 2 348.450 3.568 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000451011318 1035028411 /nfs/dbraw/zinc/02/84/11/1035028411.db2.gz CSRAYSVTBYPKNI-LJQANCHMSA-N 1 2 348.450 3.568 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000612587740 1035082009 /nfs/dbraw/zinc/08/20/09/1035082009.db2.gz YPGRAYBQEPEITD-IPMKNSEASA-N 1 2 337.467 3.538 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2ccccc2SC(F)(F)F)nn1 ZINC000926693165 1035187260 /nfs/dbraw/zinc/18/72/60/1035187260.db2.gz DXIDUUMZVZOEOF-SNVBAGLBSA-N 1 2 330.379 3.761 20 0 EHADLO Cc1nc([C@@H]([NH2+][C@H](C)CC2CCOCC2)c2ccc(Cl)cc2)no1 ZINC000133071773 1035198302 /nfs/dbraw/zinc/19/83/02/1035198302.db2.gz YYQJMGCOORZOGC-PXAZEXFGSA-N 1 2 349.862 3.916 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1Cl)CC1CC1 ZINC000376074612 1035221566 /nfs/dbraw/zinc/22/15/66/1035221566.db2.gz PBFQQZDTYOMPPL-HNNXBMFYSA-N 1 2 343.858 3.538 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376181111 1035385841 /nfs/dbraw/zinc/38/58/41/1035385841.db2.gz KKONKRRECHUNNY-VQTJNVASSA-N 1 2 345.446 3.546 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177835042 1035410423 /nfs/dbraw/zinc/41/04/23/1035410423.db2.gz JQTDNNRLEZAZKT-HNNXBMFYSA-N 1 2 345.874 3.604 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177835042 1035410426 /nfs/dbraw/zinc/41/04/26/1035410426.db2.gz JQTDNNRLEZAZKT-HNNXBMFYSA-N 1 2 345.874 3.604 20 0 EHADLO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414059837 1035420227 /nfs/dbraw/zinc/42/02/27/1035420227.db2.gz AJCBBGCEYDCGMM-ZDUSSCGKSA-N 1 2 348.468 3.707 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001625884593 1035475633 /nfs/dbraw/zinc/47/56/33/1035475633.db2.gz RQIQLKXQCIRKMK-UHFFFAOYSA-N 1 2 345.374 3.774 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571462365 1035502680 /nfs/dbraw/zinc/50/26/80/1035502680.db2.gz ZVPGSRIAMOAYOA-DAYGRLMNSA-N 1 2 341.455 3.597 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571462365 1035502689 /nfs/dbraw/zinc/50/26/89/1035502689.db2.gz ZVPGSRIAMOAYOA-DAYGRLMNSA-N 1 2 341.455 3.597 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463431364 1035505414 /nfs/dbraw/zinc/50/54/14/1035505414.db2.gz ZKTJZPIZRQKQSH-INIZCTEOSA-N 1 2 344.499 3.570 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463431364 1035505426 /nfs/dbraw/zinc/50/54/26/1035505426.db2.gz ZKTJZPIZRQKQSH-INIZCTEOSA-N 1 2 344.499 3.570 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784903 1035520250 /nfs/dbraw/zinc/52/02/50/1035520250.db2.gz PLOKMZPTWMIYRZ-IAGOWNOFSA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784903 1035520263 /nfs/dbraw/zinc/52/02/63/1035520263.db2.gz PLOKMZPTWMIYRZ-IAGOWNOFSA-N 1 2 343.471 3.604 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc(C)c2F)[nH+]1 ZINC000156613433 1035548616 /nfs/dbraw/zinc/54/86/16/1035548616.db2.gz SZXIVUYLADQFPZ-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2SC)s1 ZINC000414117660 1035584890 /nfs/dbraw/zinc/58/48/90/1035584890.db2.gz SDSKVNBFLOJPDE-LLVKDONJSA-N 1 2 336.482 3.811 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186176439 1035598401 /nfs/dbraw/zinc/59/84/01/1035598401.db2.gz BDRLHNUUBHVJDL-ZDUSSCGKSA-N 1 2 342.389 3.839 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186176439 1035598408 /nfs/dbraw/zinc/59/84/08/1035598408.db2.gz BDRLHNUUBHVJDL-ZDUSSCGKSA-N 1 2 342.389 3.839 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nc(C4CC4)nn3C)c(C)c2c1 ZINC000571757910 1035621898 /nfs/dbraw/zinc/62/18/98/1035621898.db2.gz HWWSSGMJGAXPGK-GFCCVEGCSA-N 1 2 340.427 3.607 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc(-c2cccnc2)s1 ZINC000534874076 1035710747 /nfs/dbraw/zinc/71/07/47/1035710747.db2.gz HVAHIUHUXAKGQS-UHFFFAOYSA-N 1 2 347.403 3.848 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186909360 1035717666 /nfs/dbraw/zinc/71/76/66/1035717666.db2.gz KHQVJKWFBUIIOT-SFHVURJKSA-N 1 2 348.450 3.860 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186909360 1035717686 /nfs/dbraw/zinc/71/76/86/1035717686.db2.gz KHQVJKWFBUIIOT-SFHVURJKSA-N 1 2 348.450 3.860 20 0 EHADLO Cc1cc(OCC(=O)NCc2ccccc2F)c2cccc(C)c2[nH+]1 ZINC000540843132 1035727257 /nfs/dbraw/zinc/72/72/57/1035727257.db2.gz IYDFFRFXDOYGQR-UHFFFAOYSA-N 1 2 338.382 3.686 20 0 EHADLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCSC[C@H]3C)cs2)c1 ZINC000173783155 1035749425 /nfs/dbraw/zinc/74/94/25/1035749425.db2.gz QVECCBBWDSSAPH-GFCCVEGCSA-N 1 2 348.493 3.534 20 0 EHADLO COC(=O)c1cccc(-c2nc(C[N@H+]3CCSC[C@H]3C)cs2)c1 ZINC000173783155 1035749440 /nfs/dbraw/zinc/74/94/40/1035749440.db2.gz QVECCBBWDSSAPH-GFCCVEGCSA-N 1 2 348.493 3.534 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(OC(F)F)c1 ZINC000571815271 1035764350 /nfs/dbraw/zinc/76/43/50/1035764350.db2.gz BXSOEDILNGPRSI-GDBMZVCRSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(OC(F)F)c1 ZINC000571815271 1035764365 /nfs/dbraw/zinc/76/43/65/1035764365.db2.gz BXSOEDILNGPRSI-GDBMZVCRSA-N 1 2 341.398 3.686 20 0 EHADLO CCCC(=O)NC[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000571876796 1035771294 /nfs/dbraw/zinc/77/12/94/1035771294.db2.gz QHQZJHLASTUTFR-AWEZNQCLSA-N 1 2 329.419 3.507 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)c(C)[nH+]1 ZINC000187158358 1035775913 /nfs/dbraw/zinc/77/59/13/1035775913.db2.gz VCRSDEXJQRZUAF-LFPIHBKWSA-N 1 2 341.436 3.758 20 0 EHADLO CC(C)c1nnc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571891992 1035776790 /nfs/dbraw/zinc/77/67/90/1035776790.db2.gz RBRPRCRPAMDMOD-LBPRGKRZSA-N 1 2 338.864 3.556 20 0 EHADLO Cc1nc(C(=O)NCCCCn2cc[nH+]c2)c(-c2ccccc2)s1 ZINC000540907426 1035790643 /nfs/dbraw/zinc/79/06/43/1035790643.db2.gz JGRZKPBFZWERIO-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO CC[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccoc1 ZINC000588169289 1035794143 /nfs/dbraw/zinc/79/41/43/1035794143.db2.gz NXVLUWUWXFLACX-UHFFFAOYSA-N 1 2 340.467 3.583 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccoc1 ZINC000588169289 1035794160 /nfs/dbraw/zinc/79/41/60/1035794160.db2.gz NXVLUWUWXFLACX-UHFFFAOYSA-N 1 2 340.467 3.583 20 0 EHADLO CCN(C(=O)C[N@H+](CC)Cc1ccoc1)[C@H](C)c1ccc(F)cc1 ZINC000588169027 1035794581 /nfs/dbraw/zinc/79/45/81/1035794581.db2.gz NVIYQYVYAZLRRB-OAHLLOKOSA-N 1 2 332.419 3.850 20 0 EHADLO CCN(C(=O)C[N@@H+](CC)Cc1ccoc1)[C@H](C)c1ccc(F)cc1 ZINC000588169027 1035794600 /nfs/dbraw/zinc/79/46/00/1035794600.db2.gz NVIYQYVYAZLRRB-OAHLLOKOSA-N 1 2 332.419 3.850 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000187361482 1035795220 /nfs/dbraw/zinc/79/52/20/1035795220.db2.gz IEBRULZTNGDFBF-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO C[C@@H]([NH2+]CCN1CCC2(CCCCC2)CC1)c1cc2n(n1)CCC2 ZINC000414152636 1035798670 /nfs/dbraw/zinc/79/86/70/1035798670.db2.gz QOWBXXVLHRYDPI-QGZVFWFLSA-N 1 2 330.520 3.526 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccc(F)cc1 ZINC000588177500 1035800533 /nfs/dbraw/zinc/80/05/33/1035800533.db2.gz YWKNEINBNWZUFH-HXUWFJFHSA-N 1 2 349.409 3.714 20 0 EHADLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3)cc2[nH+]1 ZINC000534978480 1035857857 /nfs/dbraw/zinc/85/78/57/1035857857.db2.gz BUIBFVTWKJNSMS-UHFFFAOYSA-N 1 2 343.452 3.802 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)nnn1-c1ccc(C)cc1 ZINC000414169383 1035864357 /nfs/dbraw/zinc/86/43/57/1035864357.db2.gz RRONJYIPHOEMBJ-MRXNPFEDSA-N 1 2 335.455 3.747 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C3CC3)C3CCC3)cn2c1 ZINC000457221859 1035880220 /nfs/dbraw/zinc/88/02/20/1035880220.db2.gz NGJHTQFLIIKERP-LJQANCHMSA-N 1 2 343.496 3.571 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC2(CCCCC2)CC1 ZINC000588280124 1035880786 /nfs/dbraw/zinc/88/07/86/1035880786.db2.gz ZKHOXVGRQTXDSR-UHFFFAOYSA-N 1 2 330.476 3.640 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)on1 ZINC000613457317 1035917787 /nfs/dbraw/zinc/91/77/87/1035917787.db2.gz YAKJOQZXFSUJMI-WMZOPIPTSA-N 1 2 341.455 3.614 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)on1 ZINC000613457317 1035917796 /nfs/dbraw/zinc/91/77/96/1035917796.db2.gz YAKJOQZXFSUJMI-WMZOPIPTSA-N 1 2 341.455 3.614 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913945994 1035983503 /nfs/dbraw/zinc/98/35/03/1035983503.db2.gz DIFVTUWZYMBYQQ-CQSZACIVSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913945994 1035983519 /nfs/dbraw/zinc/98/35/19/1035983519.db2.gz DIFVTUWZYMBYQQ-CQSZACIVSA-N 1 2 326.444 3.972 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000586288301 1035986061 /nfs/dbraw/zinc/98/60/61/1035986061.db2.gz QLJDQVMJWZTSJJ-GOSISDBHSA-N 1 2 349.544 3.934 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000457393106 1036056853 /nfs/dbraw/zinc/05/68/53/1036056853.db2.gz RYXPKZHLROSVEU-RCMYXZNBSA-N 1 2 336.426 3.525 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+](Cc2ccccc2OC)C2CC2)c1 ZINC000613484516 1036058603 /nfs/dbraw/zinc/05/86/03/1036058603.db2.gz RBGJIWSIRIDYPK-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+](Cc2ccccc2OC)C2CC2)c1 ZINC000613484516 1036058621 /nfs/dbraw/zinc/05/86/21/1036058621.db2.gz RBGJIWSIRIDYPK-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO O=C(NC1CCCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541180514 1036062405 /nfs/dbraw/zinc/06/24/05/1036062405.db2.gz WZEQQNNHYBXAAD-UHFFFAOYSA-N 1 2 332.492 3.808 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)n1 ZINC000414211814 1036083290 /nfs/dbraw/zinc/08/32/90/1036083290.db2.gz QWKDUXIGUQDKIE-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2ccc3ccccc3c2)C1 ZINC000492638989 1036101190 /nfs/dbraw/zinc/10/11/90/1036101190.db2.gz GNKJTPBCTISDRC-FUKPKEADSA-N 1 2 331.419 3.603 20 0 EHADLO CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(F)cc1 ZINC000535205713 1036159806 /nfs/dbraw/zinc/15/98/06/1036159806.db2.gz IELIBDKFGSWVOV-INIZCTEOSA-N 1 2 347.459 3.648 20 0 EHADLO CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(F)cc1 ZINC000535205713 1036159814 /nfs/dbraw/zinc/15/98/14/1036159814.db2.gz IELIBDKFGSWVOV-INIZCTEOSA-N 1 2 347.459 3.648 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000457504904 1036206050 /nfs/dbraw/zinc/20/60/50/1036206050.db2.gz MRLKTPVAJJRWLM-UHFFFAOYSA-N 1 2 347.846 3.801 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000457532432 1036227723 /nfs/dbraw/zinc/22/77/23/1036227723.db2.gz HYMNBHDZQGIFAL-OLZOCXBDSA-N 1 2 344.377 3.607 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000589160474 1036285936 /nfs/dbraw/zinc/28/59/36/1036285936.db2.gz CRMUNVYFRXGVCM-JTQLQIEISA-N 1 2 325.195 3.525 20 0 EHADLO CC(C)C[C@]1(C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457591286 1036288955 /nfs/dbraw/zinc/28/89/55/1036288955.db2.gz FDIHZWATXCVJJQ-FQEVSTJZSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cnc(CC[N@@H+](C)Cn2c3ccccc3n(C)c2=S)s1 ZINC000165181009 1036308602 /nfs/dbraw/zinc/30/86/02/1036308602.db2.gz VBBUEPLHGNZHKJ-UHFFFAOYSA-N 1 2 332.498 3.606 20 0 EHADLO Cc1cnc(CC[N@H+](C)Cn2c3ccccc3n(C)c2=S)s1 ZINC000165181009 1036308613 /nfs/dbraw/zinc/30/86/13/1036308613.db2.gz VBBUEPLHGNZHKJ-UHFFFAOYSA-N 1 2 332.498 3.606 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984298 1036314497 /nfs/dbraw/zinc/31/44/97/1036314497.db2.gz LACIITZKLNOYKV-RBUKOAKNSA-N 1 2 331.456 3.647 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984298 1036314511 /nfs/dbraw/zinc/31/45/11/1036314511.db2.gz LACIITZKLNOYKV-RBUKOAKNSA-N 1 2 331.456 3.647 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175338007 1036318928 /nfs/dbraw/zinc/31/89/28/1036318928.db2.gz DRAPYRWRXOJXDY-UHFFFAOYSA-N 1 2 332.492 3.553 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343830490 1036332961 /nfs/dbraw/zinc/33/29/61/1036332961.db2.gz BNPCHYXBAZMHGW-DTWKUNHWSA-N 1 2 336.404 3.916 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2[nH]ccc2C2CC2)c(C)c1 ZINC000457649634 1036383297 /nfs/dbraw/zinc/38/32/97/1036383297.db2.gz DCZNTFXVHYGBIM-IBGZPJMESA-N 1 2 348.450 3.877 20 0 EHADLO C/C=C(/C=C\C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000492896666 1036384231 /nfs/dbraw/zinc/38/42/31/1036384231.db2.gz LIVCOPQKSDQKNB-NKALQHNCSA-N 1 2 327.472 3.838 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157017969 1036395250 /nfs/dbraw/zinc/39/52/50/1036395250.db2.gz ZSWSACMNLHIXDI-WCQYABFASA-N 1 2 326.387 3.625 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157017969 1036395269 /nfs/dbraw/zinc/39/52/69/1036395269.db2.gz ZSWSACMNLHIXDI-WCQYABFASA-N 1 2 326.387 3.625 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000572605366 1036399015 /nfs/dbraw/zinc/39/90/15/1036399015.db2.gz ILRVHUPPXTYESN-GOSISDBHSA-N 1 2 349.434 3.576 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]Cc2ccc(C3CC3)cc2)cs1)C1CC1 ZINC000191680736 1036406164 /nfs/dbraw/zinc/40/61/64/1036406164.db2.gz YUNSGAIEMNPSQY-UHFFFAOYSA-N 1 2 341.480 3.826 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000457776822 1036496808 /nfs/dbraw/zinc/49/68/08/1036496808.db2.gz QCNGNSDADCSTFV-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccccc1Oc1cccnc1)C1CCC1 ZINC000192379852 1036500478 /nfs/dbraw/zinc/50/04/78/1036500478.db2.gz JJCIINMNXSJMEY-HNNXBMFYSA-N 1 2 340.423 3.790 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccccc1Oc1cccnc1)C1CCC1 ZINC000192379852 1036500493 /nfs/dbraw/zinc/50/04/93/1036500493.db2.gz JJCIINMNXSJMEY-HNNXBMFYSA-N 1 2 340.423 3.790 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000332908590 1036532970 /nfs/dbraw/zinc/53/29/70/1036532970.db2.gz VQRIZQYEVVKEOZ-SJORKVTESA-N 1 2 330.476 3.560 20 0 EHADLO CC(C)([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1cccs1 ZINC000541645169 1036536876 /nfs/dbraw/zinc/53/68/76/1036536876.db2.gz DQXSPZSPCACMQX-UHFFFAOYSA-N 1 2 347.415 3.874 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cscc3C)CC2)c1 ZINC000176487270 1036630188 /nfs/dbraw/zinc/63/01/88/1036630188.db2.gz WZFXEXJYRJTMNO-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000186275923 1036686593 /nfs/dbraw/zinc/68/65/93/1036686593.db2.gz XVAXDZLKFAPECV-UHFFFAOYSA-N 1 2 337.876 3.928 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2csc(Nc3ccccc3C)n2)C1 ZINC000464735759 1036694366 /nfs/dbraw/zinc/69/43/66/1036694366.db2.gz MVUFQYGNGDEERR-AWEZNQCLSA-N 1 2 345.468 3.580 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2csc(Nc3ccccc3C)n2)C1 ZINC000464735759 1036694378 /nfs/dbraw/zinc/69/43/78/1036694378.db2.gz MVUFQYGNGDEERR-AWEZNQCLSA-N 1 2 345.468 3.580 20 0 EHADLO CC(C)c1cc(N[C@H](CO)c2c(F)cccc2F)nc(C(C)C)[nH+]1 ZINC000535594466 1036695731 /nfs/dbraw/zinc/69/57/31/1036695731.db2.gz MSUPAXFILQGKRJ-OAHLLOKOSA-N 1 2 335.398 3.569 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cn1 ZINC000544467942 1036736668 /nfs/dbraw/zinc/73/66/68/1036736668.db2.gz GAPQOOBUBFKSCR-NSHDSACASA-N 1 2 345.834 3.617 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2Nc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000669823588 1036749302 /nfs/dbraw/zinc/74/93/02/1036749302.db2.gz IKQWRXBFVVIPQO-ROUUACIJSA-N 1 2 334.423 3.853 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000590100542 1036751379 /nfs/dbraw/zinc/75/13/79/1036751379.db2.gz LEQOTSHNYGTGHN-JNLAIUADSA-N 1 2 328.500 3.916 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)oc1C ZINC000590111376 1036758075 /nfs/dbraw/zinc/75/80/75/1036758075.db2.gz IQBZAJBLESKQFH-AUUYWEPGSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)oc1C ZINC000590111376 1036758089 /nfs/dbraw/zinc/75/80/89/1036758089.db2.gz IQBZAJBLESKQFH-AUUYWEPGSA-N 1 2 343.423 3.818 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(OCC)cc2)n1 ZINC000590114899 1036762026 /nfs/dbraw/zinc/76/20/26/1036762026.db2.gz BXEFMGSGYSSPCS-LBPRGKRZSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1nc(C(C)(C)NC(=O)Nc2ccc(C)[nH+]c2N(C)C)sc1C ZINC000162140357 1036772380 /nfs/dbraw/zinc/77/23/80/1036772380.db2.gz FWWYIOIBWFGPBP-UHFFFAOYSA-N 1 2 347.488 3.586 20 0 EHADLO CCc1cc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)on1 ZINC000539495117 1036803452 /nfs/dbraw/zinc/80/34/52/1036803452.db2.gz DZRXTHLBTMQKDT-SNVBAGLBSA-N 1 2 339.233 3.859 20 0 EHADLO CCN1CCc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000590288753 1036822458 /nfs/dbraw/zinc/82/24/58/1036822458.db2.gz YZBQNTYCWJHYQD-UHFFFAOYSA-N 1 2 332.407 3.507 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513992783 1036836487 /nfs/dbraw/zinc/83/64/87/1036836487.db2.gz VBFGTHCYKVVLQD-GOSISDBHSA-N 1 2 328.843 3.744 20 0 EHADLO C[N@H+](Cc1cn2ccsc2n1)Cc1cccc(OC(F)(F)F)c1 ZINC000177403721 1036836911 /nfs/dbraw/zinc/83/69/11/1036836911.db2.gz JQAZLKVIDQTFKK-UHFFFAOYSA-N 1 2 341.358 3.926 20 0 EHADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1cccc(OC(F)(F)F)c1 ZINC000177403721 1036836924 /nfs/dbraw/zinc/83/69/24/1036836924.db2.gz JQAZLKVIDQTFKK-UHFFFAOYSA-N 1 2 341.358 3.926 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccsc1 ZINC000669831171 1036918158 /nfs/dbraw/zinc/91/81/58/1036918158.db2.gz USJFRDCOMHOHSR-SNVBAGLBSA-N 1 2 336.823 3.972 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177760428 1036928562 /nfs/dbraw/zinc/92/85/62/1036928562.db2.gz JXIDTUYZSRUXML-FUHWJXTLSA-N 1 2 348.450 3.730 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177765024 1036930540 /nfs/dbraw/zinc/93/05/40/1036930540.db2.gz NUBWDGZSHMBGPU-UHFFFAOYSA-N 1 2 328.460 3.836 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774062 1036931492 /nfs/dbraw/zinc/93/14/92/1036931492.db2.gz UIXLRAXKUKBCLX-CYBMUJFWSA-N 1 2 342.830 3.890 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000539583245 1036935724 /nfs/dbraw/zinc/93/57/24/1036935724.db2.gz PUHXBKKJVHLAPR-SFHVURJKSA-N 1 2 347.422 3.642 20 0 EHADLO CC[N@H+](CCSc1cc(Cl)ccc1Cl)Cc1cn(C)nn1 ZINC000541990350 1036936195 /nfs/dbraw/zinc/93/61/95/1036936195.db2.gz SPCIGOQATJPVCW-UHFFFAOYSA-N 1 2 345.299 3.736 20 0 EHADLO CC[N@@H+](CCSc1cc(Cl)ccc1Cl)Cc1cn(C)nn1 ZINC000541990350 1036936202 /nfs/dbraw/zinc/93/62/02/1036936202.db2.gz SPCIGOQATJPVCW-UHFFFAOYSA-N 1 2 345.299 3.736 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)o2)c1 ZINC000539592574 1036963115 /nfs/dbraw/zinc/96/31/15/1036963115.db2.gz GWRCJMQXLCVTHT-UHFFFAOYSA-N 1 2 338.451 3.990 20 0 EHADLO CCC1(CC)[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C[C@@H]1OC ZINC000539609637 1036972880 /nfs/dbraw/zinc/97/28/80/1036972880.db2.gz XPIVUPHIXBGOOR-MOPGFXCFSA-N 1 2 332.488 3.837 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)s1 ZINC000414360932 1036991239 /nfs/dbraw/zinc/99/12/39/1036991239.db2.gz RTWIVMDLPVYXLX-UHFFFAOYSA-N 1 2 330.432 3.629 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)[C@H]1C ZINC000508879343 1036993329 /nfs/dbraw/zinc/99/33/29/1036993329.db2.gz PASLQYPMMJWRJJ-MBNYWOFBSA-N 1 2 328.909 3.774 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)[C@H]1C ZINC000508879343 1036993350 /nfs/dbraw/zinc/99/33/50/1036993350.db2.gz PASLQYPMMJWRJJ-MBNYWOFBSA-N 1 2 328.909 3.774 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728721 1037008720 /nfs/dbraw/zinc/00/87/20/1037008720.db2.gz GXTNHADYVKFEGQ-MKXGPGLRSA-N 1 2 347.503 3.524 20 0 EHADLO CCc1ncc(C[NH2+]Cc2csc(CCc3ccccc3)n2)cn1 ZINC000414365259 1037027301 /nfs/dbraw/zinc/02/73/01/1037027301.db2.gz OAFVQUAFAQVRMW-UHFFFAOYSA-N 1 2 338.480 3.571 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590730232 1037031665 /nfs/dbraw/zinc/03/16/65/1037031665.db2.gz SZXBVVJBBYDYOR-QGZVFWFLSA-N 1 2 331.847 3.723 20 0 EHADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000590730756 1037032665 /nfs/dbraw/zinc/03/26/65/1037032665.db2.gz MSHYKRJQXZPIEK-SFHVURJKSA-N 1 2 341.430 3.698 20 0 EHADLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc2ccccc2c1 ZINC000178379917 1037033592 /nfs/dbraw/zinc/03/35/92/1037033592.db2.gz CAWXONXRZNFIOV-OAHLLOKOSA-N 1 2 329.403 3.907 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590853350 1037085020 /nfs/dbraw/zinc/08/50/20/1037085020.db2.gz QBFWSXNHPZOBNS-MLHJIOFPSA-N 1 2 330.476 3.589 20 0 EHADLO CN(C)c1nc(NCc2nccc3ccccc32)[nH+]c2ccccc21 ZINC001167701837 1037089239 /nfs/dbraw/zinc/08/92/39/1037089239.db2.gz ZRXFSFANESAFHY-UHFFFAOYSA-N 1 2 329.407 3.856 20 0 EHADLO CC[C@@H]1C[C@H](C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000465065756 1037102038 /nfs/dbraw/zinc/10/20/38/1037102038.db2.gz KCARJXVFSFJDGY-DZGCQCFKSA-N 1 2 336.505 3.781 20 0 EHADLO CC[C@H]1C[C@H](C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000465065759 1037103037 /nfs/dbraw/zinc/10/30/37/1037103037.db2.gz KCARJXVFSFJDGY-ZFWWWQNUSA-N 1 2 336.505 3.781 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590863084 1037106873 /nfs/dbraw/zinc/10/68/73/1037106873.db2.gz ZZBIUXPVJHVGEZ-GOSISDBHSA-N 1 2 340.471 3.727 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000761543297 1037114646 /nfs/dbraw/zinc/11/46/46/1037114646.db2.gz GXVUJQNLVSUQSN-IBGZPJMESA-N 1 2 348.402 3.733 20 0 EHADLO CC(C)c1ccc(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000504889607 1037114980 /nfs/dbraw/zinc/11/49/80/1037114980.db2.gz WOHWVZPNNXMENQ-VQIMIIECSA-N 1 2 337.467 3.594 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001168191586 1037118709 /nfs/dbraw/zinc/11/87/09/1037118709.db2.gz HYVPIBDVKGCWDL-CQSZACIVSA-N 1 2 345.874 3.835 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001168191586 1037118719 /nfs/dbraw/zinc/11/87/19/1037118719.db2.gz HYVPIBDVKGCWDL-CQSZACIVSA-N 1 2 345.874 3.835 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731746 1037132616 /nfs/dbraw/zinc/13/26/16/1037132616.db2.gz HXXGYXOZGAVHJX-BFQNTYOBSA-N 1 2 342.405 3.619 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731746 1037132627 /nfs/dbraw/zinc/13/26/27/1037132627.db2.gz HXXGYXOZGAVHJX-BFQNTYOBSA-N 1 2 342.405 3.619 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 ZINC000591083642 1037213918 /nfs/dbraw/zinc/21/39/18/1037213918.db2.gz LJCWDAVULNMFSU-CABCVRRESA-N 1 2 346.450 3.772 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)n1 ZINC000591083643 1037215862 /nfs/dbraw/zinc/21/58/62/1037215862.db2.gz LJCWDAVULNMFSU-GJZGRUSLSA-N 1 2 346.450 3.772 20 0 EHADLO CCCOc1cccc2c(NCCOC[C@H]3CCCO3)cc[nH+]c12 ZINC000539813795 1037228699 /nfs/dbraw/zinc/22/86/99/1037228699.db2.gz ZYYHEWICJVFTTR-OAHLLOKOSA-N 1 2 330.428 3.631 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1Oc1ccccc1 ZINC000462652698 1037234426 /nfs/dbraw/zinc/23/44/26/1037234426.db2.gz DJRJWDPIOUGSHW-BBRMVZONSA-N 1 2 346.377 3.653 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000591117210 1037240938 /nfs/dbraw/zinc/24/09/38/1037240938.db2.gz RYCSBYPADNABMY-UHFFFAOYSA-N 1 2 336.439 3.551 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000539826646 1037249641 /nfs/dbraw/zinc/24/96/41/1037249641.db2.gz XUPHCOYXMIXQNB-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000539826646 1037249657 /nfs/dbraw/zinc/24/96/57/1037249657.db2.gz XUPHCOYXMIXQNB-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831469 1037259358 /nfs/dbraw/zinc/25/93/58/1037259358.db2.gz GYHOWLVZMYPNMY-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831469 1037259375 /nfs/dbraw/zinc/25/93/75/1037259375.db2.gz GYHOWLVZMYPNMY-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1cccc(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591251553 1037269773 /nfs/dbraw/zinc/26/97/73/1037269773.db2.gz GAZSBFMONPUVCB-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)CCOc2ccccc2F)n1 ZINC000052687133 1037271482 /nfs/dbraw/zinc/27/14/82/1037271482.db2.gz MBPMVKDHPKUDIJ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)CCOc2ccccc2F)n1 ZINC000052687133 1037271500 /nfs/dbraw/zinc/27/15/00/1037271500.db2.gz MBPMVKDHPKUDIJ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1csc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000301143102 1037359502 /nfs/dbraw/zinc/35/95/02/1037359502.db2.gz DFNZYGIQNRSJBT-GFCCVEGCSA-N 1 2 336.424 3.754 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591456166 1037413977 /nfs/dbraw/zinc/41/39/77/1037413977.db2.gz AQSOYMJGFYZVIL-KRWDZBQOSA-N 1 2 341.455 3.624 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573327629 1037465999 /nfs/dbraw/zinc/46/59/99/1037465999.db2.gz QQLPVJVDUYFQLS-DFQSSKMNSA-N 1 2 337.467 3.630 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000532529325 1037550232 /nfs/dbraw/zinc/55/02/32/1037550232.db2.gz VLRUEMNNADXQQR-AWEZNQCLSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000532529325 1037550248 /nfs/dbraw/zinc/55/02/48/1037550248.db2.gz VLRUEMNNADXQQR-AWEZNQCLSA-N 1 2 330.255 3.547 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)no1 ZINC000027227297 1037628591 /nfs/dbraw/zinc/62/85/91/1037628591.db2.gz DFLMPQYWAVWCHH-IBGZPJMESA-N 1 2 347.418 3.569 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)no1 ZINC000027227297 1037628601 /nfs/dbraw/zinc/62/86/01/1037628601.db2.gz DFLMPQYWAVWCHH-IBGZPJMESA-N 1 2 347.418 3.569 20 0 EHADLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1 ZINC000028082191 1037652928 /nfs/dbraw/zinc/65/29/28/1037652928.db2.gz STGAZTDGDDPXOU-UHFFFAOYSA-N 1 2 349.415 3.826 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669423425 1037692314 /nfs/dbraw/zinc/69/23/14/1037692314.db2.gz POFCSQBMIRBFJN-LBPRGKRZSA-N 1 2 326.425 3.939 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)c1C ZINC000542471049 1037710117 /nfs/dbraw/zinc/71/01/17/1037710117.db2.gz OWBMYBKOWKVLOI-FQEVSTJZSA-N 1 2 338.430 3.933 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)CCC2 ZINC000540219476 1037719958 /nfs/dbraw/zinc/71/99/58/1037719958.db2.gz HICSHKFOEQGWPF-ZDUSSCGKSA-N 1 2 336.414 3.950 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000540219476 1037719980 /nfs/dbraw/zinc/71/99/80/1037719980.db2.gz HICSHKFOEQGWPF-ZDUSSCGKSA-N 1 2 336.414 3.950 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C(C)C)ncn1 ZINC000463055359 1037721568 /nfs/dbraw/zinc/72/15/68/1037721568.db2.gz BBHIEOQCOVSWJW-UHFFFAOYSA-N 1 2 339.487 3.738 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)s1 ZINC000029951276 1037739153 /nfs/dbraw/zinc/73/91/53/1037739153.db2.gz OOLWBPBPQBMFBT-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](F)C1)Cc1ccccc1Cl ZINC000573686772 1037743982 /nfs/dbraw/zinc/74/39/82/1037743982.db2.gz UDNXLRMUORKRPU-HUUCEWRRSA-N 1 2 326.843 3.559 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](F)C1)Cc1ccccc1Cl ZINC000573686772 1037743986 /nfs/dbraw/zinc/74/39/86/1037743986.db2.gz UDNXLRMUORKRPU-HUUCEWRRSA-N 1 2 326.843 3.559 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1C(C)C ZINC000151855761 1037756010 /nfs/dbraw/zinc/75/60/10/1037756010.db2.gz ZYAVELFJHJLVHW-UHFFFAOYSA-N 1 2 342.443 3.671 20 0 EHADLO C[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1cccc2[nH]ccc21 ZINC000494046877 1037795361 /nfs/dbraw/zinc/79/53/61/1037795361.db2.gz HGZZXRRBMWPNTM-UHFFFAOYSA-N 1 2 332.407 3.774 20 0 EHADLO C[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1cccc2[nH]ccc21 ZINC000494046877 1037795376 /nfs/dbraw/zinc/79/53/76/1037795376.db2.gz HGZZXRRBMWPNTM-UHFFFAOYSA-N 1 2 332.407 3.774 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592075441 1037829695 /nfs/dbraw/zinc/82/96/95/1037829695.db2.gz KDWOJGNLTLQJDS-JTQLQIEISA-N 1 2 341.839 3.857 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592075441 1037829710 /nfs/dbraw/zinc/82/97/10/1037829710.db2.gz KDWOJGNLTLQJDS-JTQLQIEISA-N 1 2 341.839 3.857 20 0 EHADLO O=c1[nH]c(C[NH2+]C2(c3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000540353699 1037837035 /nfs/dbraw/zinc/83/70/35/1037837035.db2.gz DNNOMKLJXJADIS-UHFFFAOYSA-N 1 2 325.799 3.768 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942820 1037840208 /nfs/dbraw/zinc/84/02/08/1037840208.db2.gz LWGGOMRTQYSHSM-FPOVZHCZSA-N 1 2 338.426 3.577 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942820 1037840231 /nfs/dbraw/zinc/84/02/31/1037840231.db2.gz LWGGOMRTQYSHSM-FPOVZHCZSA-N 1 2 338.426 3.577 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)nc2ccccc12 ZINC000542472686 1037841436 /nfs/dbraw/zinc/84/14/36/1037841436.db2.gz OYFDOZJOCUKTBB-INIZCTEOSA-N 1 2 332.407 3.501 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942822 1037841703 /nfs/dbraw/zinc/84/17/03/1037841703.db2.gz LWGGOMRTQYSHSM-TZIWHRDSSA-N 1 2 338.426 3.577 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942822 1037841714 /nfs/dbraw/zinc/84/17/14/1037841714.db2.gz LWGGOMRTQYSHSM-TZIWHRDSSA-N 1 2 338.426 3.577 20 0 EHADLO CC(=CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Cl ZINC000378075696 1037842089 /nfs/dbraw/zinc/84/20/89/1037842089.db2.gz KSIDHPXWGZUZFI-JLHYYAGUSA-N 1 2 329.831 3.873 20 0 EHADLO CC(=CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1Cl ZINC000378075696 1037842109 /nfs/dbraw/zinc/84/21/09/1037842109.db2.gz KSIDHPXWGZUZFI-JLHYYAGUSA-N 1 2 329.831 3.873 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C2(c3cccc(F)c3)CCC2)cs1 ZINC000592145681 1037845873 /nfs/dbraw/zinc/84/58/73/1037845873.db2.gz WPJARDGJZZWLMP-UHFFFAOYSA-N 1 2 334.416 3.628 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378082300 1037861297 /nfs/dbraw/zinc/86/12/97/1037861297.db2.gz GLSNYQITTDNVKY-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378082300 1037861304 /nfs/dbraw/zinc/86/13/04/1037861304.db2.gz GLSNYQITTDNVKY-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO Cc1nc2sc3c(c2c(NCCCCn2cc[nH+]c2)n1)CCC3 ZINC000540391384 1037880228 /nfs/dbraw/zinc/88/02/28/1037880228.db2.gz FGEZUXQMHHYGEK-UHFFFAOYSA-N 1 2 327.457 3.577 20 0 EHADLO Brc1ccc2nc(C[N@@H+]3CCc4ccccc4C3)cn2c1 ZINC000051226338 1037894557 /nfs/dbraw/zinc/89/45/57/1037894557.db2.gz YOSSBXUCAMQYHL-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Brc1ccc2nc(C[N@H+]3CCc4ccccc4C3)cn2c1 ZINC000051226338 1037894575 /nfs/dbraw/zinc/89/45/75/1037894575.db2.gz YOSSBXUCAMQYHL-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)[C@H](c2ccccc2)C1 ZINC000214291711 1037900241 /nfs/dbraw/zinc/90/02/41/1037900241.db2.gz VMHZRVHIKXWPAA-FQEVSTJZSA-N 1 2 332.451 3.565 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)c(C)[nH+]1 ZINC000913807807 1037922444 /nfs/dbraw/zinc/92/24/44/1037922444.db2.gz UJMHNAMFCQSIGR-LLVKDONJSA-N 1 2 337.345 3.912 20 0 EHADLO C[C@@H]1CC(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H](C)C1 ZINC000183050126 1037926597 /nfs/dbraw/zinc/92/65/97/1037926597.db2.gz RAFYDNZUUAEDRT-IRXDYDNUSA-N 1 2 339.483 3.662 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cn(C)nc1-c1ccccc1 ZINC000463251220 1037951777 /nfs/dbraw/zinc/95/17/77/1037951777.db2.gz SFYOLVFWZUMHFL-UHFFFAOYSA-N 1 2 349.413 3.630 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c(F)cc(Cl)cc3F)[nH+]c12 ZINC000540449787 1037951952 /nfs/dbraw/zinc/95/19/52/1037951952.db2.gz FTJVAIWGOJXNJP-UHFFFAOYSA-N 1 2 335.741 3.756 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000106622489 1038157847 /nfs/dbraw/zinc/15/78/47/1038157847.db2.gz WPTXNIGDPCBAEM-RBUKOAKNSA-N 1 2 333.391 3.623 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001168257211 1038288381 /nfs/dbraw/zinc/28/83/81/1038288381.db2.gz JZLNTFIKBNAZGG-DOTOQJQBSA-N 1 2 333.472 3.508 20 0 EHADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000043182072 1038293205 /nfs/dbraw/zinc/29/32/05/1038293205.db2.gz BJHZAOFTLSAJJF-CYBMUJFWSA-N 1 2 332.835 3.597 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(C)[nH+]1 ZINC000667119149 1038457447 /nfs/dbraw/zinc/45/74/47/1038457447.db2.gz KKLVAUZXYHUTCI-LZLYRXPVSA-N 1 2 325.387 3.606 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000538786772 1038540519 /nfs/dbraw/zinc/54/05/19/1038540519.db2.gz MGJREWRBWIFQIH-HXUWFJFHSA-N 1 2 338.426 3.758 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000538786772 1038540521 /nfs/dbraw/zinc/54/05/21/1038540521.db2.gz MGJREWRBWIFQIH-HXUWFJFHSA-N 1 2 338.426 3.758 20 0 EHADLO C[N@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc2c(c1)OCO2 ZINC000108356970 1038540770 /nfs/dbraw/zinc/54/07/70/1038540770.db2.gz YLZBRLKCSYQRDM-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc2c(c1)OCO2 ZINC000108356970 1038540774 /nfs/dbraw/zinc/54/07/74/1038540774.db2.gz YLZBRLKCSYQRDM-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)cc1 ZINC000538786956 1038541102 /nfs/dbraw/zinc/54/11/02/1038541102.db2.gz WIVZDAMUTAJORP-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)cc1 ZINC000538786956 1038541110 /nfs/dbraw/zinc/54/11/10/1038541110.db2.gz WIVZDAMUTAJORP-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000472982078 1038603080 /nfs/dbraw/zinc/60/30/80/1038603080.db2.gz AKQJSESNBSLGJM-CVEARBPZSA-N 1 2 340.471 3.981 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2cn[nH]n2)cc1 ZINC000651376253 1038621989 /nfs/dbraw/zinc/62/19/89/1038621989.db2.gz VNVJEGQSOUCEQF-MGPUTAFESA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2c[nH]nn2)cc1 ZINC000651376253 1038621991 /nfs/dbraw/zinc/62/19/91/1038621991.db2.gz VNVJEGQSOUCEQF-MGPUTAFESA-N 1 2 336.414 3.743 20 0 EHADLO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCCO2 ZINC000363833800 1038638419 /nfs/dbraw/zinc/63/84/19/1038638419.db2.gz ZKLYMAMARNPQQI-ABAIWWIYSA-N 1 2 347.361 3.910 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539095178 1038680816 /nfs/dbraw/zinc/68/08/16/1038680816.db2.gz NNLMEKLJZALVQG-JKSUJKDBSA-N 1 2 341.858 3.570 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539095178 1038680820 /nfs/dbraw/zinc/68/08/20/1038680820.db2.gz NNLMEKLJZALVQG-JKSUJKDBSA-N 1 2 341.858 3.570 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@](C)(O)c3ccccc3)c2)[nH+]c1C ZINC000378571150 1038726394 /nfs/dbraw/zinc/72/63/94/1038726394.db2.gz MQJDTLHGVQFUPV-NRFANRHFSA-N 1 2 349.434 3.930 20 0 EHADLO Clc1ccccc1CCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363886681 1038771423 /nfs/dbraw/zinc/77/14/23/1038771423.db2.gz YAQOEYLWLXMZAR-KRWDZBQOSA-N 1 2 326.831 3.770 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000378616952 1038772740 /nfs/dbraw/zinc/77/27/40/1038772740.db2.gz QLKPXDARTKDBOR-ZDUSSCGKSA-N 1 2 341.436 3.680 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000539302631 1038774039 /nfs/dbraw/zinc/77/40/39/1038774039.db2.gz BLBHUQGXSQONDG-CQSZACIVSA-N 1 2 333.505 3.825 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)c2ccncc2)CCC1 ZINC000668817396 1038797809 /nfs/dbraw/zinc/79/78/09/1038797809.db2.gz IHKBNKGUOLDZNE-IBGZPJMESA-N 1 2 349.434 3.730 20 0 EHADLO CCC[N@H+](Cc1cc(C2CC2)no1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000660050644 1038809913 /nfs/dbraw/zinc/80/99/13/1038809913.db2.gz LAVGVRQQLOOOIB-AWEZNQCLSA-N 1 2 327.428 3.791 20 0 EHADLO CCC[N@@H+](Cc1cc(C2CC2)no1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000660050644 1038809946 /nfs/dbraw/zinc/80/99/46/1038809946.db2.gz LAVGVRQQLOOOIB-AWEZNQCLSA-N 1 2 327.428 3.791 20 0 EHADLO CC1(C)CCc2sc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)nc21 ZINC000568867766 1038834834 /nfs/dbraw/zinc/83/48/34/1038834834.db2.gz JNAJKZAKZXYSJH-UHFFFAOYSA-N 1 2 338.436 3.805 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1c(F)cccc1Cl ZINC000539378723 1038870264 /nfs/dbraw/zinc/87/02/64/1038870264.db2.gz FHAZHIPGGPPCHA-SLEUVZQESA-N 1 2 326.843 3.825 20 0 EHADLO CC(C)C1(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000462216308 1038875699 /nfs/dbraw/zinc/87/56/99/1038875699.db2.gz UXUBRUWARQISDD-OAHLLOKOSA-N 1 2 335.517 3.573 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000552035333 1038902598 /nfs/dbraw/zinc/90/25/98/1038902598.db2.gz TYMQWRVTDZMHQJ-WKILWMFISA-N 1 2 329.831 3.888 20 0 EHADLO Clc1scc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1Cl ZINC000432720693 1038910337 /nfs/dbraw/zinc/91/03/37/1038910337.db2.gz RVWFEKHVJBLDLF-GFCCVEGCSA-N 1 2 336.284 3.825 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000552059281 1038923973 /nfs/dbraw/zinc/92/39/73/1038923973.db2.gz VRBAPPAHLBTQBW-GOSISDBHSA-N 1 2 345.443 3.773 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000552059281 1038923987 /nfs/dbraw/zinc/92/39/87/1038923987.db2.gz VRBAPPAHLBTQBW-GOSISDBHSA-N 1 2 345.443 3.773 20 0 EHADLO CC(C)(C)c1ncc(CNc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000552058793 1038925402 /nfs/dbraw/zinc/92/54/02/1038925402.db2.gz QEMUONHXFJJBJP-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c2cccc(F)c12 ZINC000760623114 1038978490 /nfs/dbraw/zinc/97/84/90/1038978490.db2.gz LPJDQCXRMWVKDT-UHFFFAOYSA-N 1 2 342.418 3.618 20 0 EHADLO c1ncc(CN2CC[N@H+](Cc3cncs3)CC23CCCCC3)s1 ZINC000660084616 1039011909 /nfs/dbraw/zinc/01/19/09/1039011909.db2.gz WUYPKGLWYISRPD-UHFFFAOYSA-N 1 2 348.541 3.620 20 0 EHADLO c1ncc(CN2CC[N@@H+](Cc3cncs3)CC23CCCCC3)s1 ZINC000660084616 1039011930 /nfs/dbraw/zinc/01/19/30/1039011930.db2.gz WUYPKGLWYISRPD-UHFFFAOYSA-N 1 2 348.541 3.620 20 0 EHADLO C[C@H](C1CC1)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249377620 1039017018 /nfs/dbraw/zinc/01/70/18/1039017018.db2.gz MTHMZHZWWAULLT-BZUAXINKSA-N 1 2 345.487 3.558 20 0 EHADLO FC1(F)C[C@]2(CC[N@H+](Cn3ncc(Cl)c3C3CC3)C2)C1(F)F ZINC000905677988 1039036329 /nfs/dbraw/zinc/03/63/29/1039036329.db2.gz BBQCJQKCRZIWRR-LBPRGKRZSA-N 1 2 337.748 3.738 20 0 EHADLO FC1(F)C[C@]2(CC[N@@H+](Cn3ncc(Cl)c3C3CC3)C2)C1(F)F ZINC000905677988 1039036345 /nfs/dbraw/zinc/03/63/45/1039036345.db2.gz BBQCJQKCRZIWRR-LBPRGKRZSA-N 1 2 337.748 3.738 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(F)(F)C(C)(C)C)c1C ZINC000667266687 1039049380 /nfs/dbraw/zinc/04/93/80/1039049380.db2.gz HEXXOFQTFJHURR-UHFFFAOYSA-N 1 2 343.418 3.530 20 0 EHADLO Cc1cccc(CN(Cc2c[nH+]c3n2CCC3)Cc2ccccn2)c1 ZINC000667597078 1039055650 /nfs/dbraw/zinc/05/56/50/1039055650.db2.gz ACYFTSOQWQWCTA-UHFFFAOYSA-N 1 2 332.451 3.735 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc(F)c1F ZINC000552229717 1039094386 /nfs/dbraw/zinc/09/43/86/1039094386.db2.gz SCJMANIJDKVMSQ-JOCQHMNTSA-N 1 2 331.366 3.513 20 0 EHADLO S=C(Nc1ccc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044052435 1039094262 /nfs/dbraw/zinc/09/42/62/1039094262.db2.gz AZQVOWRJFWEYHG-UHFFFAOYSA-N 1 2 348.475 3.754 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)c(=O)c1 ZINC000663829377 1039114591 /nfs/dbraw/zinc/11/45/91/1039114591.db2.gz CDHYKYMRHOUBRB-UHFFFAOYSA-N 1 2 327.346 3.570 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)c(=O)c1 ZINC000663829377 1039114597 /nfs/dbraw/zinc/11/45/97/1039114597.db2.gz CDHYKYMRHOUBRB-UHFFFAOYSA-N 1 2 327.346 3.570 20 0 EHADLO C[C@@H](CC(=O)NCCc1ccc(-c2ccccc2)cc1)n1cc[nH+]c1 ZINC001126998726 1039116756 /nfs/dbraw/zinc/11/67/56/1039116756.db2.gz ABZNMYWQHOXFGY-KRWDZBQOSA-N 1 2 333.435 3.860 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000667275229 1039119168 /nfs/dbraw/zinc/11/91/68/1039119168.db2.gz DTQGRMGMPUFODX-LJQANCHMSA-N 1 2 338.455 3.616 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)Cc3c[nH+]cn3C)n2)c(C)c1 ZINC000554265567 1039136927 /nfs/dbraw/zinc/13/69/27/1039136927.db2.gz LHQNDGWHGJLCRA-UHFFFAOYSA-N 1 2 340.452 3.650 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000554308781 1039211638 /nfs/dbraw/zinc/21/16/38/1039211638.db2.gz DKNLEWXMVIVTNC-INIZCTEOSA-N 1 2 348.393 3.995 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000554308781 1039211651 /nfs/dbraw/zinc/21/16/51/1039211651.db2.gz DKNLEWXMVIVTNC-INIZCTEOSA-N 1 2 348.393 3.995 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(Br)s2)c(C)[nH+]1 ZINC000906024680 1039242081 /nfs/dbraw/zinc/24/20/81/1039242081.db2.gz JFCMIGPXYFWBJO-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cn1 ZINC000339205963 1039268373 /nfs/dbraw/zinc/26/83/73/1039268373.db2.gz XSZCCIJJNOLJBR-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cn1 ZINC000339205963 1039268379 /nfs/dbraw/zinc/26/83/79/1039268379.db2.gz XSZCCIJJNOLJBR-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)cc[nH+]1 ZINC000488579682 1039282088 /nfs/dbraw/zinc/28/20/88/1039282088.db2.gz QIZHEQVVHJYVJX-UHFFFAOYSA-N 1 2 334.423 3.683 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000178611963 1039290738 /nfs/dbraw/zinc/29/07/38/1039290738.db2.gz LUCZFFPHBNULQB-ZDUSSCGKSA-N 1 2 329.893 3.689 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000178611963 1039290750 /nfs/dbraw/zinc/29/07/50/1039290750.db2.gz LUCZFFPHBNULQB-ZDUSSCGKSA-N 1 2 329.893 3.689 20 0 EHADLO CNc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000906076904 1039295500 /nfs/dbraw/zinc/29/55/00/1039295500.db2.gz BJXZLCWFRGQQCM-UHFFFAOYSA-N 1 2 344.484 3.669 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000509752522 1039299747 /nfs/dbraw/zinc/29/97/47/1039299747.db2.gz SWZNECBSFXZUFC-FUHWJXTLSA-N 1 2 340.471 3.886 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000645790864 1039320964 /nfs/dbraw/zinc/32/09/64/1039320964.db2.gz YLEYWPMGNUATCZ-DYVFJYSZSA-N 1 2 327.827 3.669 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000645790864 1039320982 /nfs/dbraw/zinc/32/09/82/1039320982.db2.gz YLEYWPMGNUATCZ-DYVFJYSZSA-N 1 2 327.827 3.669 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648717 1039351026 /nfs/dbraw/zinc/35/10/26/1039351026.db2.gz MBJZLXZWTCMKJT-XHBKTUGNSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648717 1039351049 /nfs/dbraw/zinc/35/10/49/1039351049.db2.gz MBJZLXZWTCMKJT-XHBKTUGNSA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C)cc1 ZINC000554463948 1039363379 /nfs/dbraw/zinc/36/33/79/1039363379.db2.gz MIZBGYMKUPTRAH-GOSISDBHSA-N 1 2 349.438 3.908 20 0 EHADLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646962 1039375690 /nfs/dbraw/zinc/37/56/90/1039375690.db2.gz ICDXVOFUXFTPRF-RTBURBONSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646962 1039375701 /nfs/dbraw/zinc/37/57/01/1039375701.db2.gz ICDXVOFUXFTPRF-RTBURBONSA-N 1 2 344.405 3.702 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2c(C)onc2CC)c1C(=O)OC ZINC000419050843 1039383423 /nfs/dbraw/zinc/38/34/23/1039383423.db2.gz ZKUZRYVUWAMYOE-UHFFFAOYSA-N 1 2 332.400 3.567 20 0 EHADLO Cc1ccc(-c2nnc(NC(=O)C[C@H](C)n3cc[nH+]c3)s2)c(C)c1 ZINC000584622977 1039388081 /nfs/dbraw/zinc/38/80/81/1039388081.db2.gz VLMQUHYHPCRFQB-ZDUSSCGKSA-N 1 2 341.440 3.608 20 0 EHADLO C[C@H]1CO[C@@H](c2noc([C@]3(C)C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923963071 1039404408 /nfs/dbraw/zinc/40/44/08/1039404408.db2.gz AXKQMDIOTQWIPO-XAUMDUMWSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@@H](c2noc([C@]3(C)C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923963071 1039404416 /nfs/dbraw/zinc/40/44/16/1039404416.db2.gz AXKQMDIOTQWIPO-XAUMDUMWSA-N 1 2 339.439 3.639 20 0 EHADLO COc1cccc(C[N@@H+]2Cc3cccc(Br)c3C2)c1O ZINC000186584517 1039410129 /nfs/dbraw/zinc/41/01/29/1039410129.db2.gz BOEOXDAAABEIOC-UHFFFAOYSA-N 1 2 334.213 3.679 20 0 EHADLO COc1cccc(C[N@H+]2Cc3cccc(Br)c3C2)c1O ZINC000186584517 1039410136 /nfs/dbraw/zinc/41/01/36/1039410136.db2.gz BOEOXDAAABEIOC-UHFFFAOYSA-N 1 2 334.213 3.679 20 0 EHADLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C2CCCC2)n1 ZINC000906242061 1039427989 /nfs/dbraw/zinc/42/79/89/1039427989.db2.gz ZDUNYEZHZVMCDK-UHFFFAOYSA-N 1 2 335.411 3.516 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)nn1 ZINC000906272573 1039429952 /nfs/dbraw/zinc/42/99/52/1039429952.db2.gz OBEPFNPJTPTCAW-FQEVSTJZSA-N 1 2 340.471 3.601 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)nn1 ZINC000906272573 1039429961 /nfs/dbraw/zinc/42/99/61/1039429961.db2.gz OBEPFNPJTPTCAW-FQEVSTJZSA-N 1 2 340.471 3.601 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000044138990 1039447443 /nfs/dbraw/zinc/44/74/43/1039447443.db2.gz XHEGGUNXMPREJZ-VIFPVBQESA-N 1 2 329.256 3.565 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667662401 1039449944 /nfs/dbraw/zinc/44/99/44/1039449944.db2.gz IMYSTPJGNWXCEE-UZLBHIALSA-N 1 2 325.456 3.564 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667662401 1039449948 /nfs/dbraw/zinc/44/99/48/1039449948.db2.gz IMYSTPJGNWXCEE-UZLBHIALSA-N 1 2 325.456 3.564 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3cn(C4CC4)nn3)c(C)c2c1 ZINC000906290330 1039454308 /nfs/dbraw/zinc/45/43/08/1039454308.db2.gz LQYWZXXDIUITAG-GFCCVEGCSA-N 1 2 326.400 3.527 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541946 1039460853 /nfs/dbraw/zinc/46/08/53/1039460853.db2.gz SAVZAODQGKYIRY-IAGOWNOFSA-N 1 2 341.459 3.807 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667665419 1039477917 /nfs/dbraw/zinc/47/79/17/1039477917.db2.gz KAVZXAJOHHYRLP-JTQLQIEISA-N 1 2 346.422 3.959 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667665419 1039477930 /nfs/dbraw/zinc/47/79/30/1039477930.db2.gz KAVZXAJOHHYRLP-JTQLQIEISA-N 1 2 346.422 3.959 20 0 EHADLO COCc1csc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000667666691 1039492541 /nfs/dbraw/zinc/49/25/41/1039492541.db2.gz VIPNXVHTKWZPPV-GOSISDBHSA-N 1 2 335.444 3.916 20 0 EHADLO COCc1csc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000667666691 1039492549 /nfs/dbraw/zinc/49/25/49/1039492549.db2.gz VIPNXVHTKWZPPV-GOSISDBHSA-N 1 2 335.444 3.916 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488984361 1039521414 /nfs/dbraw/zinc/52/14/14/1039521414.db2.gz SKJNETDBHKRADH-HXUWFJFHSA-N 1 2 326.440 3.662 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488984361 1039521425 /nfs/dbraw/zinc/52/14/25/1039521425.db2.gz SKJNETDBHKRADH-HXUWFJFHSA-N 1 2 326.440 3.662 20 0 EHADLO Cc1cc(C)cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500808112 1039525415 /nfs/dbraw/zinc/52/54/15/1039525415.db2.gz MGRJFMOGUBOYFT-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO Cc1cc(C)cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500808112 1039525428 /nfs/dbraw/zinc/52/54/28/1039525428.db2.gz MGRJFMOGUBOYFT-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)oc1C ZINC000432848721 1039531300 /nfs/dbraw/zinc/53/13/00/1039531300.db2.gz XHYJCMNOXDKJOG-MEBBXXQBSA-N 1 2 334.441 3.941 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCc3cc(OC)c(F)cc3C2)oc1C ZINC000432860991 1039571977 /nfs/dbraw/zinc/57/19/77/1039571977.db2.gz VGLJYPBLPGHCQH-NSHDSACASA-N 1 2 347.386 3.642 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCc3cc(OC)c(F)cc3C2)oc1C ZINC000432860991 1039571996 /nfs/dbraw/zinc/57/19/96/1039571996.db2.gz VGLJYPBLPGHCQH-NSHDSACASA-N 1 2 347.386 3.642 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2sccc2Br)c(C)[nH+]1 ZINC000906456076 1039575821 /nfs/dbraw/zinc/57/58/21/1039575821.db2.gz ZIAPMFMTYOGCFW-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO CC1(CNc2cc[nH+]c3cc(F)c(Br)cc23)COC1 ZINC000450332434 1039593558 /nfs/dbraw/zinc/59/35/58/1039593558.db2.gz UTVPBXNFRQZIDV-UHFFFAOYSA-N 1 2 325.181 3.585 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000489096145 1039607645 /nfs/dbraw/zinc/60/76/45/1039607645.db2.gz BWCHIKFYSMKYAW-PXPVJAHISA-N 1 2 337.467 3.963 20 0 EHADLO CC(=O)NC1CCC(Nc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000554688317 1039610096 /nfs/dbraw/zinc/61/00/96/1039610096.db2.gz IPPLHCOZNQXBPY-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2F)s1 ZINC000279954552 1039627040 /nfs/dbraw/zinc/62/70/40/1039627040.db2.gz BYPWIXOHPKLVFU-SNVBAGLBSA-N 1 2 345.436 3.671 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667686840 1039637360 /nfs/dbraw/zinc/63/73/60/1039637360.db2.gz SPGYVOLXBUVIHD-MRXNPFEDSA-N 1 2 331.847 3.600 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667686840 1039637368 /nfs/dbraw/zinc/63/73/68/1039637368.db2.gz SPGYVOLXBUVIHD-MRXNPFEDSA-N 1 2 331.847 3.600 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2(C3CC3)CCC2)c1)[NH+]1CCOCC1 ZINC000906576391 1039654116 /nfs/dbraw/zinc/65/41/16/1039654116.db2.gz SGCDTQXTLPMXHV-OAHLLOKOSA-N 1 2 328.456 3.599 20 0 EHADLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000898903842 1039690764 /nfs/dbraw/zinc/69/07/64/1039690764.db2.gz KZRIPVGSYBMUAV-GFCCVEGCSA-N 1 2 339.361 3.557 20 0 EHADLO CC(C)(CNC(=O)c1cccc(SC(F)(F)F)c1)n1cc[nH+]c1 ZINC000898910582 1039701616 /nfs/dbraw/zinc/70/16/16/1039701616.db2.gz UDUDVCWYUZOKHM-UHFFFAOYSA-N 1 2 343.374 3.660 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c(C)[nH+]1 ZINC000906823158 1039783268 /nfs/dbraw/zinc/78/32/68/1039783268.db2.gz KXINWZMYJRYYDG-LJQANCHMSA-N 1 2 338.451 3.686 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000489321244 1039820211 /nfs/dbraw/zinc/82/02/11/1039820211.db2.gz BGEAIZPGXPHNCT-MDYRTPRTSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000489321244 1039820238 /nfs/dbraw/zinc/82/02/38/1039820238.db2.gz BGEAIZPGXPHNCT-MDYRTPRTSA-N 1 2 345.870 3.705 20 0 EHADLO CSc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)o1 ZINC000893927081 1039835742 /nfs/dbraw/zinc/83/57/42/1039835742.db2.gz ASENOSHWNLPROY-UHFFFAOYSA-N 1 2 336.501 3.616 20 0 EHADLO CSc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)o1 ZINC000893927081 1039835766 /nfs/dbraw/zinc/83/57/66/1039835766.db2.gz ASENOSHWNLPROY-UHFFFAOYSA-N 1 2 336.501 3.616 20 0 EHADLO CCSc1ccccc1CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000906988919 1039870656 /nfs/dbraw/zinc/87/06/56/1039870656.db2.gz WPDRNZNGRPQHMA-RDJZCZTQSA-N 1 2 343.496 3.647 20 0 EHADLO C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1CC1(C)C ZINC000489405150 1039923426 /nfs/dbraw/zinc/92/34/26/1039923426.db2.gz NNLOYPIIKLDGIA-OAHLLOKOSA-N 1 2 329.469 3.555 20 0 EHADLO C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1CC1(C)C ZINC000489405150 1039923445 /nfs/dbraw/zinc/92/34/45/1039923445.db2.gz NNLOYPIIKLDGIA-OAHLLOKOSA-N 1 2 329.469 3.555 20 0 EHADLO Fc1cncc(F)c1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000930868613 1039953597 /nfs/dbraw/zinc/95/35/97/1039953597.db2.gz XGQKTVMPCWKZTI-FHWLQOOXSA-N 1 2 330.378 3.854 20 0 EHADLO Fc1cncc(F)c1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000930868613 1039953609 /nfs/dbraw/zinc/95/36/09/1039953609.db2.gz XGQKTVMPCWKZTI-FHWLQOOXSA-N 1 2 330.378 3.854 20 0 EHADLO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907208091 1039954147 /nfs/dbraw/zinc/95/41/47/1039954147.db2.gz VLESUYZBMUMYRV-KDOFPFPSSA-N 1 2 330.403 3.652 20 0 EHADLO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907208093 1039954264 /nfs/dbraw/zinc/95/42/64/1039954264.db2.gz VLESUYZBMUMYRV-RDTXWAMCSA-N 1 2 330.403 3.652 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(Cc2ccccc2F)CC2CC2)c[nH+]1 ZINC000912514271 1039955353 /nfs/dbraw/zinc/95/53/53/1039955353.db2.gz MIJOBPBMDLDXEX-UHFFFAOYSA-N 1 2 329.419 3.505 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912521416 1039960690 /nfs/dbraw/zinc/96/06/90/1039960690.db2.gz GDAPADYUPLCYEP-IAGOWNOFSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1nc2ccc(Cl)cn2c1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000912538762 1039977174 /nfs/dbraw/zinc/97/71/74/1039977174.db2.gz ZXGHVECWHPRCAX-AWEZNQCLSA-N 1 2 345.834 3.719 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](C)C[C@H]3c3ccccc3)[nH+]c12 ZINC000553331215 1039979900 /nfs/dbraw/zinc/97/99/00/1039979900.db2.gz ADVGQISECZPDNN-BEFAXECRSA-N 1 2 333.435 3.795 20 0 EHADLO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000364152175 1039985027 /nfs/dbraw/zinc/98/50/27/1039985027.db2.gz XEVSPHQHTLHBMV-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000364152175 1039985029 /nfs/dbraw/zinc/98/50/29/1039985029.db2.gz XEVSPHQHTLHBMV-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000554965381 1039988708 /nfs/dbraw/zinc/98/87/08/1039988708.db2.gz JXSIYNYHFQATIY-PKOBYXMFSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cnc1C(F)(F)F ZINC000912578010 1040008723 /nfs/dbraw/zinc/00/87/23/1040008723.db2.gz PQUWKJVHWWRUGF-ZDUSSCGKSA-N 1 2 340.349 3.831 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907344814 1040012167 /nfs/dbraw/zinc/01/21/67/1040012167.db2.gz KWVBYQKIVOWTFA-KRWDZBQOSA-N 1 2 340.471 3.503 20 0 EHADLO COc1cccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c1OC ZINC000549848260 1040012963 /nfs/dbraw/zinc/01/29/63/1040012963.db2.gz PPZDNZYXRAXNSE-LJQANCHMSA-N 1 2 333.378 3.914 20 0 EHADLO COc1cccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)c1OC ZINC000549848260 1040012981 /nfs/dbraw/zinc/01/29/81/1040012981.db2.gz PPZDNZYXRAXNSE-LJQANCHMSA-N 1 2 333.378 3.914 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1(C)C ZINC000907378375 1040032628 /nfs/dbraw/zinc/03/26/28/1040032628.db2.gz ZXBRDCJJNBCXSB-MRXNPFEDSA-N 1 2 340.471 3.503 20 0 EHADLO COC(=O)[C@H]1CC12CCN(c1cc[nH+]c3c(Cl)cccc13)CC2 ZINC000553431277 1040055953 /nfs/dbraw/zinc/05/59/53/1040055953.db2.gz IVUGQRGXYJCIEP-CYBMUJFWSA-N 1 2 330.815 3.668 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000667462201 1040100499 /nfs/dbraw/zinc/10/04/99/1040100499.db2.gz AJMDNSUGAFJLIJ-OAHLLOKOSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000667462201 1040100507 /nfs/dbraw/zinc/10/05/07/1040100507.db2.gz AJMDNSUGAFJLIJ-OAHLLOKOSA-N 1 2 339.361 3.785 20 0 EHADLO C[C@]12CC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1C2(F)F ZINC000428736028 1040113917 /nfs/dbraw/zinc/11/39/17/1040113917.db2.gz GNURGPQCQGITQL-OCCSQVGLSA-N 1 2 349.208 3.909 20 0 EHADLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1C2(F)F ZINC000428736028 1040113928 /nfs/dbraw/zinc/11/39/28/1040113928.db2.gz GNURGPQCQGITQL-OCCSQVGLSA-N 1 2 349.208 3.909 20 0 EHADLO CC(C)SCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815186 1040179581 /nfs/dbraw/zinc/17/95/81/1040179581.db2.gz IWDRYFVRGLMSFU-AWEZNQCLSA-N 1 2 335.517 3.573 20 0 EHADLO CC(C)SCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815186 1040179587 /nfs/dbraw/zinc/17/95/87/1040179587.db2.gz IWDRYFVRGLMSFU-AWEZNQCLSA-N 1 2 335.517 3.573 20 0 EHADLO CS[C@@H](C)CCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816479 1040184406 /nfs/dbraw/zinc/18/44/06/1040184406.db2.gz UMMLWLJZOQXOBT-DZGCQCFKSA-N 1 2 349.544 3.963 20 0 EHADLO CS[C@@H](C)CCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816479 1040184410 /nfs/dbraw/zinc/18/44/10/1040184410.db2.gz UMMLWLJZOQXOBT-DZGCQCFKSA-N 1 2 349.544 3.963 20 0 EHADLO CS[C@@H](C)CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816482 1040184573 /nfs/dbraw/zinc/18/45/73/1040184573.db2.gz UMMLWLJZOQXOBT-ZFWWWQNUSA-N 1 2 349.544 3.963 20 0 EHADLO CS[C@@H](C)CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816482 1040184583 /nfs/dbraw/zinc/18/45/83/1040184583.db2.gz UMMLWLJZOQXOBT-ZFWWWQNUSA-N 1 2 349.544 3.963 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000907816765 1040185491 /nfs/dbraw/zinc/18/54/91/1040185491.db2.gz XLRLANFKIUUOLS-IXDOHACOSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000907816765 1040185508 /nfs/dbraw/zinc/18/55/08/1040185508.db2.gz XLRLANFKIUUOLS-IXDOHACOSA-N 1 2 341.499 3.867 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000432922704 1040185740 /nfs/dbraw/zinc/18/57/40/1040185740.db2.gz PEBCIAGTRGIJOC-CQDKDKBSSA-N 1 2 329.362 3.883 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000907823141 1040190020 /nfs/dbraw/zinc/19/00/20/1040190020.db2.gz KDIYMYMWFXDZCM-JTQLQIEISA-N 1 2 343.374 3.973 20 0 EHADLO Fc1cccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000156707537 1040192057 /nfs/dbraw/zinc/19/20/57/1040192057.db2.gz NVSYRNPYFGILKX-UHFFFAOYSA-N 1 2 325.265 3.668 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)O1 ZINC000555131691 1040193183 /nfs/dbraw/zinc/19/31/83/1040193183.db2.gz PYKJTVMSGRTSCK-AWEZNQCLSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCOc3ccc(Br)cc3C2)O1 ZINC000555131691 1040193202 /nfs/dbraw/zinc/19/32/02/1040193202.db2.gz PYKJTVMSGRTSCK-AWEZNQCLSA-N 1 2 340.261 3.601 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489767094 1040199248 /nfs/dbraw/zinc/19/92/48/1040199248.db2.gz LXRRQLXQHSJBOF-GOSISDBHSA-N 1 2 348.450 3.799 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCO1 ZINC000907935238 1040235081 /nfs/dbraw/zinc/23/50/81/1040235081.db2.gz QPFUXFGAVBYYPF-RDTXWAMCSA-N 1 2 339.439 3.640 20 0 EHADLO O=C(CNc1cccc[nH+]1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000907950763 1040244216 /nfs/dbraw/zinc/24/42/16/1040244216.db2.gz PSHHDSKSJWCXFF-CTYIDZIISA-N 1 2 349.356 3.575 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668641582 1040267364 /nfs/dbraw/zinc/26/73/64/1040267364.db2.gz LEZSHWWSVGAAJU-KZNAEPCWSA-N 1 2 325.456 3.736 20 0 EHADLO CC[C@H](CC(F)F)C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000660294178 1040269418 /nfs/dbraw/zinc/26/94/18/1040269418.db2.gz SAJQDHBGRXDZIW-CHWSQXEVSA-N 1 2 331.428 3.703 20 0 EHADLO CC[C@H](CC(F)F)C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000660294178 1040269432 /nfs/dbraw/zinc/26/94/32/1040269432.db2.gz SAJQDHBGRXDZIW-CHWSQXEVSA-N 1 2 331.428 3.703 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3ccsc3)n2)cc1 ZINC000152927776 1040329495 /nfs/dbraw/zinc/32/94/95/1040329495.db2.gz WYMUXXUBJWLYPX-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3ccsc3)n2)cc1 ZINC000152927776 1040329509 /nfs/dbraw/zinc/32/95/09/1040329509.db2.gz WYMUXXUBJWLYPX-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1OCC ZINC000190034193 1040329797 /nfs/dbraw/zinc/32/97/97/1040329797.db2.gz VLXLZOKTQFYGNF-HXUWFJFHSA-N 1 2 347.455 3.546 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1OCC ZINC000190034193 1040329810 /nfs/dbraw/zinc/32/98/10/1040329810.db2.gz VLXLZOKTQFYGNF-HXUWFJFHSA-N 1 2 347.455 3.546 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000667507787 1040334181 /nfs/dbraw/zinc/33/41/81/1040334181.db2.gz IZZQURHCUWQWNK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000667507787 1040334206 /nfs/dbraw/zinc/33/42/06/1040334206.db2.gz IZZQURHCUWQWNK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1coc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001625898290 1040393142 /nfs/dbraw/zinc/39/31/42/1040393142.db2.gz USUNVFCDARCJGY-IBGZPJMESA-N 1 2 327.424 3.994 20 0 EHADLO Cc1coc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001625898290 1040393152 /nfs/dbraw/zinc/39/31/52/1040393152.db2.gz USUNVFCDARCJGY-IBGZPJMESA-N 1 2 327.424 3.994 20 0 EHADLO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1F ZINC000668673685 1040395447 /nfs/dbraw/zinc/39/54/47/1040395447.db2.gz WHGQQKQWODQETK-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1F ZINC000668673685 1040395448 /nfs/dbraw/zinc/39/54/48/1040395448.db2.gz WHGQQKQWODQETK-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000908365104 1040412543 /nfs/dbraw/zinc/41/25/43/1040412543.db2.gz UGQHNMAAMNEELP-SUMWQHHRSA-N 1 2 330.453 3.501 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000418029196 1040476203 /nfs/dbraw/zinc/47/62/03/1040476203.db2.gz JAFCICFTSMOZSA-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000418029196 1040476210 /nfs/dbraw/zinc/47/62/10/1040476210.db2.gz JAFCICFTSMOZSA-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ccc(C(=O)C2CCC2)cc1)c1ccccc1 ZINC000490301322 1040485450 /nfs/dbraw/zinc/48/54/50/1040485450.db2.gz RHFYOQDCQLERAC-IBGZPJMESA-N 1 2 336.435 3.911 20 0 EHADLO CCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)oc1CC ZINC000486850784 1040494320 /nfs/dbraw/zinc/49/43/20/1040494320.db2.gz CNGWVJQSDGIOSS-QGZVFWFLSA-N 1 2 326.440 3.533 20 0 EHADLO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)oc1CC ZINC000486850784 1040494331 /nfs/dbraw/zinc/49/43/31/1040494331.db2.gz CNGWVJQSDGIOSS-QGZVFWFLSA-N 1 2 326.440 3.533 20 0 EHADLO Brc1ccc([C@H]2CCCN2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667536229 1040520335 /nfs/dbraw/zinc/52/03/35/1040520335.db2.gz SDTMVLBIRULHJF-MRXNPFEDSA-N 1 2 346.272 3.929 20 0 EHADLO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCn1cc[nH+]c1 ZINC000553859252 1040524818 /nfs/dbraw/zinc/52/48/18/1040524818.db2.gz PJCVEDPLJIWTHW-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(c2ccon2)CC1 ZINC000668714146 1040578249 /nfs/dbraw/zinc/57/82/49/1040578249.db2.gz LQRGDDBSJGYLMW-UHFFFAOYSA-N 1 2 330.819 3.594 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1c[nH+]c2n1CCC2 ZINC000667555697 1040616663 /nfs/dbraw/zinc/61/66/63/1040616663.db2.gz KOVFGLQMPMRVPY-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO CC(C)c1noc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951517 1040624525 /nfs/dbraw/zinc/62/45/25/1040624525.db2.gz HHGXNTVDSUAPAG-CVEARBPZSA-N 1 2 329.444 3.871 20 0 EHADLO CC(C)c1noc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951517 1040624532 /nfs/dbraw/zinc/62/45/32/1040624532.db2.gz HHGXNTVDSUAPAG-CVEARBPZSA-N 1 2 329.444 3.871 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c2ccccc21 ZINC000614210559 1040625968 /nfs/dbraw/zinc/62/59/68/1040625968.db2.gz GQCLVNYYQCMROZ-WQANXHIZSA-N 1 2 337.467 3.567 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000553990811 1040647434 /nfs/dbraw/zinc/64/74/34/1040647434.db2.gz HOFISJVBPJQKFG-GOSISDBHSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000553990811 1040647443 /nfs/dbraw/zinc/64/74/43/1040647443.db2.gz HOFISJVBPJQKFG-GOSISDBHSA-N 1 2 328.481 3.756 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000600132389 1040700370 /nfs/dbraw/zinc/70/03/70/1040700370.db2.gz QRXZXJZUDNFKTL-DOTOQJQBSA-N 1 2 329.469 3.618 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000490744539 1040718243 /nfs/dbraw/zinc/71/82/43/1040718243.db2.gz IPHOGCGAKDKCPM-MISYRCLQSA-N 1 2 349.478 3.826 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)n1 ZINC000600143235 1040719828 /nfs/dbraw/zinc/71/98/28/1040719828.db2.gz XALOAJWUNSXNRE-UHFFFAOYSA-N 1 2 346.377 3.706 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CO2)c1 ZINC000759793091 1040727979 /nfs/dbraw/zinc/72/79/79/1040727979.db2.gz LJVZCCAXAPIQMM-AEFFLSMTSA-N 1 2 348.487 3.590 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CO2)c1 ZINC000759793091 1040727995 /nfs/dbraw/zinc/72/79/95/1040727995.db2.gz LJVZCCAXAPIQMM-AEFFLSMTSA-N 1 2 348.487 3.590 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364299115 1040728591 /nfs/dbraw/zinc/72/85/91/1040728591.db2.gz YUDFYPHEAPFAJY-UHFFFAOYSA-N 1 2 340.427 3.610 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364299115 1040728607 /nfs/dbraw/zinc/72/86/07/1040728607.db2.gz YUDFYPHEAPFAJY-UHFFFAOYSA-N 1 2 340.427 3.610 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000192477041 1040822179 /nfs/dbraw/zinc/82/21/79/1040822179.db2.gz MYILDEQEYQCMDO-INIZCTEOSA-N 1 2 347.821 3.786 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000192477041 1040822194 /nfs/dbraw/zinc/82/21/94/1040822194.db2.gz MYILDEQEYQCMDO-INIZCTEOSA-N 1 2 347.821 3.786 20 0 EHADLO CC[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CCO[C@H](CC)C3)c2C)CCO1 ZINC000664028094 1040874759 /nfs/dbraw/zinc/87/47/59/1040874759.db2.gz LWJIWGPGWUCFKW-QBPKDAKJSA-N 1 2 348.491 3.524 20 0 EHADLO Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000043142867 1040884766 /nfs/dbraw/zinc/88/47/66/1040884766.db2.gz SHOKZGODMKXISE-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CC(C)CC(=O)CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000828030679 1040899271 /nfs/dbraw/zinc/89/92/71/1040899271.db2.gz IOYWKEKHULMNBR-UHFFFAOYSA-N 1 2 329.444 3.551 20 0 EHADLO CC(C)CC(=O)CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000828030679 1040899283 /nfs/dbraw/zinc/89/92/83/1040899283.db2.gz IOYWKEKHULMNBR-UHFFFAOYSA-N 1 2 329.444 3.551 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(C)n1CC(F)(F)F ZINC000614276368 1040901475 /nfs/dbraw/zinc/90/14/75/1040901475.db2.gz UEYFUCQJWSXVRV-UHFFFAOYSA-N 1 2 336.317 3.567 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1)C(F)(F)F ZINC000570887315 1040963047 /nfs/dbraw/zinc/96/30/47/1040963047.db2.gz GHNCYBSPFYXJOG-AWEZNQCLSA-N 1 2 348.365 3.571 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(C(F)(F)F)cc3)[nH+]c12 ZINC000586728572 1040990798 /nfs/dbraw/zinc/99/07/98/1040990798.db2.gz OFQKHRWJNQUTDK-UHFFFAOYSA-N 1 2 347.340 3.520 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1F ZINC000555685662 1041012636 /nfs/dbraw/zinc/01/26/36/1041012636.db2.gz FFPBJIXIWWTQSP-HNNXBMFYSA-N 1 2 348.805 3.571 20 0 EHADLO O=C(C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1F ZINC000555685662 1041012643 /nfs/dbraw/zinc/01/26/43/1041012643.db2.gz FFPBJIXIWWTQSP-HNNXBMFYSA-N 1 2 348.805 3.571 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419276977 1041050177 /nfs/dbraw/zinc/05/01/77/1041050177.db2.gz GEUIQSRSUVRIBG-YZVOILCLSA-N 1 2 344.455 3.661 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(F)cc3OC(F)F)ccc2[nH+]1 ZINC000487713824 1041052556 /nfs/dbraw/zinc/05/25/56/1041052556.db2.gz IPFZNMPZUDLAGJ-UHFFFAOYSA-N 1 2 335.285 3.636 20 0 EHADLO Clc1ccccc1-c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)s1 ZINC000668791946 1041053526 /nfs/dbraw/zinc/05/35/26/1041053526.db2.gz DZKQNLXSOVCJGU-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO Clc1ccccc1-c1ccc(C[N@H+]2CCc3nn[nH]c3C2)s1 ZINC000668791946 1041053539 /nfs/dbraw/zinc/05/35/39/1041053539.db2.gz DZKQNLXSOVCJGU-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO C[C@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)c1cnccn1 ZINC000894128427 1041062560 /nfs/dbraw/zinc/06/25/60/1041062560.db2.gz OCTHNQBODNLONU-AWEZNQCLSA-N 1 2 339.468 3.738 20 0 EHADLO C[C@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)c1cnccn1 ZINC000894128427 1041062566 /nfs/dbraw/zinc/06/25/66/1041062566.db2.gz OCTHNQBODNLONU-AWEZNQCLSA-N 1 2 339.468 3.738 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000481576194 1041083461 /nfs/dbraw/zinc/08/34/61/1041083461.db2.gz JACNYYPMZLAIBZ-DZGCQCFKSA-N 1 2 331.378 3.790 20 0 EHADLO CCCCC[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000487778947 1041107650 /nfs/dbraw/zinc/10/76/50/1041107650.db2.gz BSORIOOCLWWQQT-GOSISDBHSA-N 1 2 344.503 3.936 20 0 EHADLO Cc1cc(C)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1Br ZINC000570932313 1041138325 /nfs/dbraw/zinc/13/83/25/1041138325.db2.gz GIRXCNSJHSIVPM-GFCCVEGCSA-N 1 2 336.233 3.852 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCCc3ccncc3)CCO2)c(Cl)c1 ZINC000481603835 1041143957 /nfs/dbraw/zinc/14/39/57/1041143957.db2.gz BEJDHFPKWDDUFZ-GOSISDBHSA-N 1 2 334.822 3.880 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCCc3ccncc3)CCO2)c(Cl)c1 ZINC000481603835 1041143962 /nfs/dbraw/zinc/14/39/62/1041143962.db2.gz BEJDHFPKWDDUFZ-GOSISDBHSA-N 1 2 334.822 3.880 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)ccc2[nH+]1 ZINC000555780242 1041146534 /nfs/dbraw/zinc/14/65/34/1041146534.db2.gz JHMFTMNQDUBJLU-CZIWCDLHSA-N 1 2 338.386 3.850 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)C2 ZINC000571041411 1041156079 /nfs/dbraw/zinc/15/60/79/1041156079.db2.gz CDDBXBKMQRVTBU-QKPAOTATSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000571041411 1041156089 /nfs/dbraw/zinc/15/60/89/1041156089.db2.gz CDDBXBKMQRVTBU-QKPAOTATSA-N 1 2 331.504 3.969 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852846 1041157042 /nfs/dbraw/zinc/15/70/42/1041157042.db2.gz KSUIXUZNRZRNPM-HUUCEWRRSA-N 1 2 341.835 3.648 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852846 1041157047 /nfs/dbraw/zinc/15/70/47/1041157047.db2.gz KSUIXUZNRZRNPM-HUUCEWRRSA-N 1 2 341.835 3.648 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000571128655 1041196268 /nfs/dbraw/zinc/19/62/68/1041196268.db2.gz JGJSYFRNXSPSCX-FQEVSTJZSA-N 1 2 341.455 3.628 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000571128655 1041196274 /nfs/dbraw/zinc/19/62/74/1041196274.db2.gz JGJSYFRNXSPSCX-FQEVSTJZSA-N 1 2 341.455 3.628 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000555842043 1041212673 /nfs/dbraw/zinc/21/26/73/1041212673.db2.gz VNIYZQJPYNLGFV-JKSUJKDBSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOCCC(C)C)C3)cc1 ZINC000487968943 1041214776 /nfs/dbraw/zinc/21/47/76/1041214776.db2.gz GKAKFECPQBVOBI-UHFFFAOYSA-N 1 2 327.472 3.602 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOCCC(C)C)C3)cc1 ZINC000487968943 1041214791 /nfs/dbraw/zinc/21/47/91/1041214791.db2.gz GKAKFECPQBVOBI-UHFFFAOYSA-N 1 2 327.472 3.602 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000668811908 1041231597 /nfs/dbraw/zinc/23/15/97/1041231597.db2.gz FHYSBONQVSUWNB-MRXNPFEDSA-N 1 2 345.512 3.829 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)n1cc[nH+]c1 ZINC000571288218 1041256675 /nfs/dbraw/zinc/25/66/75/1041256675.db2.gz SXVRJCAJMVAZAR-HOTGVXAUSA-N 1 2 334.423 3.774 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555870530 1041258250 /nfs/dbraw/zinc/25/82/50/1041258250.db2.gz AYTJJOANZLAMIH-CABCVRRESA-N 1 2 336.439 3.864 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C1 ZINC000126232844 1041280712 /nfs/dbraw/zinc/28/07/12/1041280712.db2.gz BGJHUBCNOJSNMI-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C1 ZINC000126232844 1041280721 /nfs/dbraw/zinc/28/07/21/1041280721.db2.gz BGJHUBCNOJSNMI-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO CC[C@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC)CC(F)(F)F ZINC000419316424 1041282829 /nfs/dbraw/zinc/28/28/29/1041282829.db2.gz LJHLHVOIUJIPJX-ZFWWWQNUSA-N 1 2 331.378 3.647 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cnc(C(F)(F)F)c(C)c2)c[nH+]1 ZINC000667933548 1041286259 /nfs/dbraw/zinc/28/62/59/1041286259.db2.gz KZCVMGYECPWDGA-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571405808 1041287842 /nfs/dbraw/zinc/28/78/42/1041287842.db2.gz CZZWLWHFQOZBFL-OAHLLOKOSA-N 1 2 343.496 3.525 20 0 EHADLO CCCCOc1ccc(OC)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571407596 1041287989 /nfs/dbraw/zinc/28/79/89/1041287989.db2.gz BWLKCTDJGOATGY-CQSZACIVSA-N 1 2 331.416 3.660 20 0 EHADLO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677415 1041319168 /nfs/dbraw/zinc/31/91/68/1041319168.db2.gz YEXFCWPYNYQHIK-NXEZZACHSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677415 1041319181 /nfs/dbraw/zinc/31/91/81/1041319181.db2.gz YEXFCWPYNYQHIK-NXEZZACHSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000364446474 1041319853 /nfs/dbraw/zinc/31/98/53/1041319853.db2.gz NVNBBNGEEJSLBZ-GJZGRUSLSA-N 1 2 335.455 3.965 20 0 EHADLO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000428743331 1041359937 /nfs/dbraw/zinc/35/99/37/1041359937.db2.gz JWQKHIJWQPKDDZ-CQSZACIVSA-N 1 2 338.879 3.866 20 0 EHADLO CCCN(CC(=O)Nc1ccccc1C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000433423815 1041407599 /nfs/dbraw/zinc/40/75/99/1041407599.db2.gz PZLQHXWLSWQOGO-UHFFFAOYSA-N 1 2 338.455 3.826 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000128962347 1041426104 /nfs/dbraw/zinc/42/61/04/1041426104.db2.gz ZHPYHJUYUGZRRP-KRWDZBQOSA-N 1 2 333.435 3.884 20 0 EHADLO CC1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000432028969 1041470506 /nfs/dbraw/zinc/47/05/06/1041470506.db2.gz ZMPBRTNMIUPMEN-GOSISDBHSA-N 1 2 336.426 3.750 20 0 EHADLO CC1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000432028969 1041470512 /nfs/dbraw/zinc/47/05/12/1041470512.db2.gz ZMPBRTNMIUPMEN-GOSISDBHSA-N 1 2 336.426 3.750 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1)C1CCC1 ZINC000613747989 1041525205 /nfs/dbraw/zinc/52/52/05/1041525205.db2.gz QMHGBCAZQLGSBR-UHFFFAOYSA-N 1 2 335.407 3.856 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C)oc2C)CC2CC2)c(OC)c1 ZINC000660487224 1041560368 /nfs/dbraw/zinc/56/03/68/1041560368.db2.gz UUVJTWYEMYNXGC-UHFFFAOYSA-N 1 2 330.428 3.721 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C)oc2C)CC2CC2)c(OC)c1 ZINC000660487224 1041560375 /nfs/dbraw/zinc/56/03/75/1041560375.db2.gz UUVJTWYEMYNXGC-UHFFFAOYSA-N 1 2 330.428 3.721 20 0 EHADLO CC(C)(C)Oc1cc[nH+]cc1NCc1cn(Cc2ccccc2)nn1 ZINC000893389596 1041592017 /nfs/dbraw/zinc/59/20/17/1041592017.db2.gz WCSCFCRDCHJAFI-UHFFFAOYSA-N 1 2 337.427 3.511 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432131555 1041627342 /nfs/dbraw/zinc/62/73/42/1041627342.db2.gz YXNRLIDSHFIWLY-ZDUSSCGKSA-N 1 2 335.333 3.511 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000647692826 1041672547 /nfs/dbraw/zinc/67/25/47/1041672547.db2.gz WZZSFTLEYSYLJT-IRXDYDNUSA-N 1 2 349.544 3.824 20 0 EHADLO O=C(CCOc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343871473 1041679910 /nfs/dbraw/zinc/67/99/10/1041679910.db2.gz RRWOIFVCRSRPEG-UHFFFAOYSA-N 1 2 343.333 3.558 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c2=S)cc1C ZINC000026630293 1041721643 /nfs/dbraw/zinc/72/16/43/1041721643.db2.gz SYRQCNQAVMGUMX-AWEZNQCLSA-N 1 2 333.505 3.739 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C)[C@@H](C)C(C)(C)C)c2=S)cc1C ZINC000026630293 1041721651 /nfs/dbraw/zinc/72/16/51/1041721651.db2.gz SYRQCNQAVMGUMX-AWEZNQCLSA-N 1 2 333.505 3.739 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@H]1CC1(F)F ZINC000660704635 1041778852 /nfs/dbraw/zinc/77/88/52/1041778852.db2.gz BAJIVTXJWDOXCQ-RNCFNFMXSA-N 1 2 329.778 3.633 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000660704635 1041778858 /nfs/dbraw/zinc/77/88/58/1041778858.db2.gz BAJIVTXJWDOXCQ-RNCFNFMXSA-N 1 2 329.778 3.633 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551812 1041937008 /nfs/dbraw/zinc/93/70/08/1041937008.db2.gz PIQHWCOMGFZBRB-INIZCTEOSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552046 1041937286 /nfs/dbraw/zinc/93/72/86/1041937286.db2.gz OBDMBAFWRSZSEA-LLVKDONJSA-N 1 2 328.803 3.564 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC3(CCC3)C2)c(Br)c1 ZINC000123560135 1042053195 /nfs/dbraw/zinc/05/31/95/1042053195.db2.gz UNVKWQWNNKNPDR-UHFFFAOYSA-N 1 2 337.261 3.572 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC3(CCC3)C2)c(Br)c1 ZINC000123560135 1042053204 /nfs/dbraw/zinc/05/32/04/1042053204.db2.gz UNVKWQWNNKNPDR-UHFFFAOYSA-N 1 2 337.261 3.572 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1CCC2)c1ncc(Br)cn1 ZINC000651816807 1042074218 /nfs/dbraw/zinc/07/42/18/1042074218.db2.gz JXWZMXAYQKJSRK-NSHDSACASA-N 1 2 332.245 3.579 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC000661463026 1042135316 /nfs/dbraw/zinc/13/53/16/1042135316.db2.gz MEPKFVDJXZYNIC-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC000661463026 1042135318 /nfs/dbraw/zinc/13/53/18/1042135318.db2.gz MEPKFVDJXZYNIC-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661538013 1042177296 /nfs/dbraw/zinc/17/72/96/1042177296.db2.gz XUCKBTXLQJZLJB-UONOGXRCSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661538013 1042177300 /nfs/dbraw/zinc/17/73/00/1042177300.db2.gz XUCKBTXLQJZLJB-UONOGXRCSA-N 1 2 343.393 3.574 20 0 EHADLO FC(F)(F)COCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543457 1042180202 /nfs/dbraw/zinc/18/02/02/1042180202.db2.gz AWVKRFWEBFCQFG-UHFFFAOYSA-N 1 2 342.386 3.747 20 0 EHADLO FC(F)(F)COCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543457 1042180203 /nfs/dbraw/zinc/18/02/03/1042180203.db2.gz AWVKRFWEBFCQFG-UHFFFAOYSA-N 1 2 342.386 3.747 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661559389 1042188197 /nfs/dbraw/zinc/18/81/97/1042188197.db2.gz OHYMSMVSAODBNN-HNNXBMFYSA-N 1 2 346.519 3.933 20 0 EHADLO COc1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000661561478 1042188969 /nfs/dbraw/zinc/18/89/69/1042188969.db2.gz LSVIHNKNFODWIB-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000661561478 1042188971 /nfs/dbraw/zinc/18/89/71/1042188971.db2.gz LSVIHNKNFODWIB-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](c2ccccc2F)C(C)C)cs1 ZINC000595689673 1042222225 /nfs/dbraw/zinc/22/22/25/1042222225.db2.gz DAYRUVBJAAEAEE-HNNXBMFYSA-N 1 2 336.432 3.946 20 0 EHADLO Fc1ccc2c(c1Cl)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000652173923 1042257100 /nfs/dbraw/zinc/25/71/00/1042257100.db2.gz BOJCEJPPDXYCPM-OAHLLOKOSA-N 1 2 347.821 3.810 20 0 EHADLO Fc1cccc([C@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000661734044 1042290491 /nfs/dbraw/zinc/29/04/91/1042290491.db2.gz NYHZKIQYGOEIDY-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccn1 ZINC000048273145 1042298891 /nfs/dbraw/zinc/29/88/91/1042298891.db2.gz YXVJFHBMJCKHEB-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccn1 ZINC000048273145 1042298894 /nfs/dbraw/zinc/29/88/94/1042298894.db2.gz YXVJFHBMJCKHEB-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cs1 ZINC000893502395 1042300934 /nfs/dbraw/zinc/30/09/34/1042300934.db2.gz STWGSKKYGGHBRI-LBPRGKRZSA-N 1 2 327.375 3.622 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cs1 ZINC000893502395 1042300938 /nfs/dbraw/zinc/30/09/38/1042300938.db2.gz STWGSKKYGGHBRI-LBPRGKRZSA-N 1 2 327.375 3.622 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000661793500 1042332267 /nfs/dbraw/zinc/33/22/67/1042332267.db2.gz KMIOJQMJHHQMDD-UHFFFAOYSA-N 1 2 342.414 3.685 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661793500 1042332272 /nfs/dbraw/zinc/33/22/72/1042332272.db2.gz KMIOJQMJHHQMDD-UHFFFAOYSA-N 1 2 342.414 3.685 20 0 EHADLO CCn1nccc1CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661796969 1042335318 /nfs/dbraw/zinc/33/53/18/1042335318.db2.gz BMUXTTPMDCAUQX-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO CCn1nccc1CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661796969 1042335325 /nfs/dbraw/zinc/33/53/25/1042335325.db2.gz BMUXTTPMDCAUQX-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000652342072 1042401241 /nfs/dbraw/zinc/40/12/41/1042401241.db2.gz MPHNUXFDPLHRPX-FQEVSTJZSA-N 1 2 335.451 3.516 20 0 EHADLO C/C(=C\c1ccc(Br)o1)C(=O)Nc1cccc2[nH+]ccn21 ZINC001126177274 1042417483 /nfs/dbraw/zinc/41/74/83/1042417483.db2.gz BTUJLYIEZZQQEP-MDZDMXLPSA-N 1 2 346.184 3.732 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1cc(F)cc(Br)c1)CC2 ZINC000661956275 1042431259 /nfs/dbraw/zinc/43/12/59/1042431259.db2.gz XFQRXAMFVBSRJF-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000661983167 1042444517 /nfs/dbraw/zinc/44/45/17/1042444517.db2.gz AWFBOTIQPRQMST-CYBMUJFWSA-N 1 2 347.846 3.924 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000661983167 1042444523 /nfs/dbraw/zinc/44/45/23/1042444523.db2.gz AWFBOTIQPRQMST-CYBMUJFWSA-N 1 2 347.846 3.924 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000661996978 1042451663 /nfs/dbraw/zinc/45/16/63/1042451663.db2.gz HWUZCVOTQWGTGY-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000661996978 1042451664 /nfs/dbraw/zinc/45/16/64/1042451664.db2.gz HWUZCVOTQWGTGY-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Clc1ccc(-c2nnc(C[NH+]3CCC(c4ccon4)CC3)o2)cc1 ZINC000662043520 1042478803 /nfs/dbraw/zinc/47/88/03/1042478803.db2.gz KUPAODJKKWFVTD-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccco4)o3)CCC2)c1 ZINC000662109358 1042526246 /nfs/dbraw/zinc/52/62/46/1042526246.db2.gz XLJKUSAUCBAPIL-UHFFFAOYSA-N 1 2 325.368 3.507 20 0 EHADLO CC(C)CC(CC(C)C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000599882186 1042581519 /nfs/dbraw/zinc/58/15/19/1042581519.db2.gz MKZRVWLHRLDXIF-MRXNPFEDSA-N 1 2 334.508 3.558 20 0 EHADLO CC(C)CC(CC(C)C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000599882186 1042581523 /nfs/dbraw/zinc/58/15/23/1042581523.db2.gz MKZRVWLHRLDXIF-MRXNPFEDSA-N 1 2 334.508 3.558 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000014914642 1042602976 /nfs/dbraw/zinc/60/29/76/1042602976.db2.gz OTUUYTCFKAMZQG-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000014914642 1042602980 /nfs/dbraw/zinc/60/29/80/1042602980.db2.gz OTUUYTCFKAMZQG-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662244788 1042631987 /nfs/dbraw/zinc/63/19/87/1042631987.db2.gz VDUYMBZZDOCPEQ-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662244788 1042631989 /nfs/dbraw/zinc/63/19/89/1042631989.db2.gz VDUYMBZZDOCPEQ-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662244789 1042632278 /nfs/dbraw/zinc/63/22/78/1042632278.db2.gz VDUYMBZZDOCPEQ-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662244789 1042632282 /nfs/dbraw/zinc/63/22/82/1042632282.db2.gz VDUYMBZZDOCPEQ-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC1=CCSC1 ZINC000662269146 1042644225 /nfs/dbraw/zinc/64/42/25/1042644225.db2.gz ZMWYUYPZPKFHTI-GFCCVEGCSA-N 1 2 349.887 3.980 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC1=CCSC1 ZINC000662269146 1042644228 /nfs/dbraw/zinc/64/42/28/1042644228.db2.gz ZMWYUYPZPKFHTI-GFCCVEGCSA-N 1 2 349.887 3.980 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cncs1 ZINC000162048802 1042707749 /nfs/dbraw/zinc/70/77/49/1042707749.db2.gz SHUDXKHYUUZWFQ-UHFFFAOYSA-N 1 2 337.246 3.887 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)n2)c1 ZINC000278873789 1042794458 /nfs/dbraw/zinc/79/44/58/1042794458.db2.gz YUAOJRRGEJAONQ-VNHYZAJKSA-N 1 2 337.427 3.742 20 0 EHADLO c1ccc(CNc2nc(NC3CCOCC3)[nH+]c3ccccc32)cc1 ZINC000663401492 1042819027 /nfs/dbraw/zinc/81/90/27/1042819027.db2.gz QJSUNSQCADPYHI-UHFFFAOYSA-N 1 2 334.423 3.833 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000278889362 1042842560 /nfs/dbraw/zinc/84/25/60/1042842560.db2.gz UJIVYFVNYZOFRN-ZDUSSCGKSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000278889362 1042842566 /nfs/dbraw/zinc/84/25/66/1042842566.db2.gz UJIVYFVNYZOFRN-ZDUSSCGKSA-N 1 2 339.361 3.743 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000153168364 1042850226 /nfs/dbraw/zinc/85/02/26/1042850226.db2.gz KCKBXVCUQRIMAJ-DAYGRLMNSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000343938018 1042883133 /nfs/dbraw/zinc/88/31/33/1042883133.db2.gz VEXBTQSQUNSCSW-MAUKXSAKSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000343943400 1042900556 /nfs/dbraw/zinc/90/05/56/1042900556.db2.gz PTLVPZQHWUDHCA-GFCCVEGCSA-N 1 2 326.425 3.885 20 0 EHADLO CC1(C)C[C@]1(C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000663478044 1042907778 /nfs/dbraw/zinc/90/77/78/1042907778.db2.gz YMPBBEUTRYEARK-LPHOPBHVSA-N 1 2 338.480 3.913 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000066985760 1043024538 /nfs/dbraw/zinc/02/45/38/1043024538.db2.gz WWPRQJZKQBCDRR-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO Clc1ccc([C@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccn2)cc1 ZINC000931801783 1043033343 /nfs/dbraw/zinc/03/33/43/1043033343.db2.gz WFWHOOMGJNTBHE-IBGZPJMESA-N 1 2 338.842 3.648 20 0 EHADLO Clc1ccc([C@H]2c3[nH]cnc3CC[N@@H+]2CCc2ccccn2)cc1 ZINC000931801783 1043033347 /nfs/dbraw/zinc/03/33/47/1043033347.db2.gz WFWHOOMGJNTBHE-IBGZPJMESA-N 1 2 338.842 3.648 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000432391465 1043049969 /nfs/dbraw/zinc/04/99/69/1043049969.db2.gz LDIYKBSGIFCPMK-FFZOFVMBSA-N 1 2 339.483 3.734 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000348553730 1043132238 /nfs/dbraw/zinc/13/22/38/1043132238.db2.gz OSVDCPPXWFWSMI-MRXNPFEDSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000348553730 1043132242 /nfs/dbraw/zinc/13/22/42/1043132242.db2.gz OSVDCPPXWFWSMI-MRXNPFEDSA-N 1 2 325.456 3.972 20 0 EHADLO O=C(c1ccc2[nH]ccc2c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278996662 1043155299 /nfs/dbraw/zinc/15/52/99/1043155299.db2.gz RMYDTQWNFYJNFV-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)[S@@]1=O ZINC000348554477 1043195979 /nfs/dbraw/zinc/19/59/79/1043195979.db2.gz YHQXYSFIWVRJMJ-MBSYMSIGSA-N 1 2 335.444 3.817 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)[S@@]1=O ZINC000348554477 1043195987 /nfs/dbraw/zinc/19/59/87/1043195987.db2.gz YHQXYSFIWVRJMJ-MBSYMSIGSA-N 1 2 335.444 3.817 20 0 EHADLO C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344095057 1043245382 /nfs/dbraw/zinc/24/53/82/1043245382.db2.gz DZBLVPSLGDIELM-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000344114054 1043276702 /nfs/dbraw/zinc/27/67/02/1043276702.db2.gz RTHCXTOKCHOIDW-VJFUWPCTSA-N 1 2 340.471 3.664 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000344114054 1043276711 /nfs/dbraw/zinc/27/67/11/1043276711.db2.gz RTHCXTOKCHOIDW-VJFUWPCTSA-N 1 2 340.471 3.664 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279068205 1043301675 /nfs/dbraw/zinc/30/16/75/1043301675.db2.gz ZWAVTHFXHLOWCV-ZJUUUORDSA-N 1 2 337.411 3.507 20 0 EHADLO CCc1nnc([C@H]2C[N@@H+]([C@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135972 1043416164 /nfs/dbraw/zinc/41/61/64/1043416164.db2.gz NHHXFAPOLYFLQJ-RHSMWYFYSA-N 1 2 329.444 3.890 20 0 EHADLO CCc1nnc([C@H]2C[N@H+]([C@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135972 1043416172 /nfs/dbraw/zinc/41/61/72/1043416172.db2.gz NHHXFAPOLYFLQJ-RHSMWYFYSA-N 1 2 329.444 3.890 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344220112 1043454972 /nfs/dbraw/zinc/45/49/72/1043454972.db2.gz YQUVDCOVEQSYFB-OAHLLOKOSA-N 1 2 337.427 3.928 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccco1)CC(F)(F)F ZINC000344236473 1043497738 /nfs/dbraw/zinc/49/77/38/1043497738.db2.gz MVRBQDHUMLXREY-UHFFFAOYSA-N 1 2 349.312 3.670 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCc1nccs1 ZINC000050953557 1043770752 /nfs/dbraw/zinc/77/07/52/1043770752.db2.gz MMDXYGXABHDHEC-UHFFFAOYSA-N 1 2 327.409 3.523 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000162729021 1043774748 /nfs/dbraw/zinc/77/47/48/1043774748.db2.gz QIDZXXAXXNRINL-UHFFFAOYSA-N 1 2 346.390 3.678 20 0 EHADLO Cc1nc(N[C@@H]2CCOC3(CCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663724824 1043842180 /nfs/dbraw/zinc/84/21/80/1043842180.db2.gz AQFAKPQNMYVKRF-GFCCVEGCSA-N 1 2 340.265 3.760 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000728903434 1043900481 /nfs/dbraw/zinc/90/04/81/1043900481.db2.gz ZASJVVAQIZVIOP-UHFFFAOYSA-N 1 2 335.451 3.902 20 0 EHADLO CC(C)(C)C[N@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000728903434 1043900484 /nfs/dbraw/zinc/90/04/84/1043900484.db2.gz ZASJVVAQIZVIOP-UHFFFAOYSA-N 1 2 335.451 3.902 20 0 EHADLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001167868725 1043943270 /nfs/dbraw/zinc/94/32/70/1043943270.db2.gz RVEIPVUGMNEBDF-HNNXBMFYSA-N 1 2 347.418 3.805 20 0 EHADLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001167868725 1043943283 /nfs/dbraw/zinc/94/32/83/1043943283.db2.gz RVEIPVUGMNEBDF-HNNXBMFYSA-N 1 2 347.418 3.805 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000344668056 1044257511 /nfs/dbraw/zinc/25/75/11/1044257511.db2.gz PKFBAYUCBOBZEX-HXUWFJFHSA-N 1 2 331.419 3.988 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@@H]1C)CCC2 ZINC000344697023 1044295874 /nfs/dbraw/zinc/29/58/74/1044295874.db2.gz FYGYKYNJKJZSOE-PWIZWCRZSA-N 1 2 349.478 3.656 20 0 EHADLO O=C(CCCOCCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000051082971 1044369244 /nfs/dbraw/zinc/36/92/44/1044369244.db2.gz XTRNJBZISPXBSS-UHFFFAOYSA-N 1 2 349.434 3.850 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](CO)c1ccccc1C ZINC000543836103 1044375385 /nfs/dbraw/zinc/37/53/85/1044375385.db2.gz ICYBXLMYZHVTER-QGZVFWFLSA-N 1 2 328.437 3.843 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897363 1044476655 /nfs/dbraw/zinc/47/66/55/1044476655.db2.gz BGKUTEGJLYKSFT-KFWWJZLASA-N 1 2 334.891 3.591 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897363 1044476663 /nfs/dbraw/zinc/47/66/63/1044476663.db2.gz BGKUTEGJLYKSFT-KFWWJZLASA-N 1 2 334.891 3.591 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000279728439 1044481221 /nfs/dbraw/zinc/48/12/21/1044481221.db2.gz VPWHIRIBQDQBBW-UHFFFAOYSA-N 1 2 345.443 3.592 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000279728439 1044481227 /nfs/dbraw/zinc/48/12/27/1044481227.db2.gz VPWHIRIBQDQBBW-UHFFFAOYSA-N 1 2 345.443 3.592 20 0 EHADLO CSc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000112238991 1044591967 /nfs/dbraw/zinc/59/19/67/1044591967.db2.gz VSXDQNODPRCFTJ-UHFFFAOYSA-N 1 2 343.408 3.529 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CCO[C@H](c4cccc(Cl)c4)C3)ccc21 ZINC000344873329 1044638305 /nfs/dbraw/zinc/63/83/05/1044638305.db2.gz ACSPZAHWKQRVTK-IBGZPJMESA-N 1 2 341.842 3.800 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CCO[C@H](c4cccc(Cl)c4)C3)ccc21 ZINC000344873329 1044638313 /nfs/dbraw/zinc/63/83/13/1044638313.db2.gz ACSPZAHWKQRVTK-IBGZPJMESA-N 1 2 341.842 3.800 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]Cc3ncoc3-c3ccccc3)cn2)cc1 ZINC000344953681 1044732564 /nfs/dbraw/zinc/73/25/64/1044732564.db2.gz MXQGIBPTWYGSEJ-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279839224 1044740743 /nfs/dbraw/zinc/74/07/43/1044740743.db2.gz RKYAHBZLFRZABN-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279839224 1044740760 /nfs/dbraw/zinc/74/07/60/1044740760.db2.gz RKYAHBZLFRZABN-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000279874528 1044788227 /nfs/dbraw/zinc/78/82/27/1044788227.db2.gz CGPAYJIJFDNRHS-KRWDZBQOSA-N 1 2 331.437 3.547 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000279874535 1044788355 /nfs/dbraw/zinc/78/83/55/1044788355.db2.gz CGPAYJIJFDNRHS-QGZVFWFLSA-N 1 2 331.437 3.547 20 0 EHADLO Nc1ccc(Nc2ncc(C(F)(F)F)cc2Br)c[nH+]1 ZINC001201272707 1136002861 /nfs/dbraw/zinc/00/28/61/1136002861.db2.gz SZSFPXAEQKASBE-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccc(COc2ccccc2)cc1 ZINC000620412493 1125566892 /nfs/dbraw/zinc/56/68/92/1125566892.db2.gz DLPODWGIRRIEQB-UHFFFAOYSA-N 1 2 349.434 3.559 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Br)cc1Cl ZINC000620409573 1125567274 /nfs/dbraw/zinc/56/72/74/1125567274.db2.gz AFPJWMCWJFAOHN-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000153834188 1125665626 /nfs/dbraw/zinc/66/56/26/1125665626.db2.gz GDDWZQTVTDWFLQ-UHFFFAOYSA-N 1 2 338.498 3.699 20 0 EHADLO CC[N@H+](Cc1c[nH]nc1C)Cc1cc(Br)ccc1F ZINC000154680243 1125745000 /nfs/dbraw/zinc/74/50/00/1125745000.db2.gz VBOXWCAXQOZPFN-UHFFFAOYSA-N 1 2 326.213 3.642 20 0 EHADLO CC[N@@H+](Cc1c[nH]nc1C)Cc1cc(Br)ccc1F ZINC000154680243 1125745009 /nfs/dbraw/zinc/74/50/09/1125745009.db2.gz VBOXWCAXQOZPFN-UHFFFAOYSA-N 1 2 326.213 3.642 20 0 EHADLO CCc1cccc(Cl)c1C[NH2+]Cc1cn(C)nc1Br ZINC000922467894 1129543745 /nfs/dbraw/zinc/54/37/45/1129543745.db2.gz HJZPIQVOSNEBJA-UHFFFAOYSA-N 1 2 342.668 3.688 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000622810733 1126778263 /nfs/dbraw/zinc/77/82/63/1126778263.db2.gz WMHMHFPAPKABTD-NRFANRHFSA-N 1 2 342.483 3.902 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000072607931 1126798474 /nfs/dbraw/zinc/79/84/74/1126798474.db2.gz RVCSEZHXASQBBY-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000072607931 1126798478 /nfs/dbraw/zinc/79/84/78/1126798478.db2.gz RVCSEZHXASQBBY-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cl ZINC000185305178 1126861499 /nfs/dbraw/zinc/86/14/99/1126861499.db2.gz OWZYQZDWVAAYSV-UHFFFAOYSA-N 1 2 334.807 3.850 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671305220 1126898204 /nfs/dbraw/zinc/89/82/04/1126898204.db2.gz JIQITRVENKLWMN-GFCCVEGCSA-N 1 2 343.324 3.758 20 0 EHADLO C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CN(C)C2=O)c2ccsc2S1 ZINC000623234003 1126900582 /nfs/dbraw/zinc/90/05/82/1126900582.db2.gz ULBBVBQINRGBDS-IUIKQTSFSA-N 1 2 344.505 3.976 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000623253197 1126905679 /nfs/dbraw/zinc/90/56/79/1126905679.db2.gz GEKKVRKBKGBLDV-FQEVSTJZSA-N 1 2 337.398 3.708 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296707 1126910468 /nfs/dbraw/zinc/91/04/68/1126910468.db2.gz OBPIIMQFPMWEAO-CQSZACIVSA-N 1 2 349.887 3.540 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000623300172 1126910762 /nfs/dbraw/zinc/91/07/62/1126910762.db2.gz LJRUGHSVSXMZMK-CYBMUJFWSA-N 1 2 331.847 3.579 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000344886618 1126916680 /nfs/dbraw/zinc/91/66/80/1126916680.db2.gz HHXZFKZBGOFOPH-SBUREZEXSA-N 1 2 333.453 3.501 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000344886618 1126916683 /nfs/dbraw/zinc/91/66/83/1126916683.db2.gz HHXZFKZBGOFOPH-SBUREZEXSA-N 1 2 333.453 3.501 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(C)c(Br)cn1)c1ccc(C)o1 ZINC000623437890 1126953598 /nfs/dbraw/zinc/95/35/98/1126953598.db2.gz CITNELNCLMTKRC-AWEZNQCLSA-N 1 2 339.233 3.531 20 0 EHADLO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623470168 1126962449 /nfs/dbraw/zinc/96/24/49/1126962449.db2.gz BPKVPASTRMNZSM-ICSRJNTNSA-N 1 2 340.515 3.704 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C)c(Br)cn2)o1 ZINC000623531043 1126977174 /nfs/dbraw/zinc/97/71/74/1126977174.db2.gz CFBRPUNTXVPMQT-UHFFFAOYSA-N 1 2 338.249 3.691 20 0 EHADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682287 1126987052 /nfs/dbraw/zinc/98/70/52/1126987052.db2.gz DTJVGMGSJNCCNS-CVEARBPZSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682287 1126987056 /nfs/dbraw/zinc/98/70/56/1126987056.db2.gz DTJVGMGSJNCCNS-CVEARBPZSA-N 1 2 347.480 3.732 20 0 EHADLO Cc1ccccc1C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177769828 1126999759 /nfs/dbraw/zinc/99/97/59/1126999759.db2.gz ZBFBZLMJPBFDNM-UHFFFAOYSA-N 1 2 348.450 3.732 20 0 EHADLO Cc1nccnc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623615927 1126996694 /nfs/dbraw/zinc/99/66/94/1126996694.db2.gz BMQLXNGKLBYSOJ-QMMMGPOBSA-N 1 2 342.187 3.677 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(CCCOc2cccc3ccccc32)no1 ZINC000350423757 1127076158 /nfs/dbraw/zinc/07/61/58/1127076158.db2.gz PTVXVYVOASEGNP-UHFFFAOYSA-N 1 2 348.406 3.559 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)Cn1cc[nH+]c1 ZINC000153445644 1127082066 /nfs/dbraw/zinc/08/20/66/1127082066.db2.gz NGJOJMUOLYTOEP-INIZCTEOSA-N 1 2 335.407 3.742 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623925602 1127217487 /nfs/dbraw/zinc/21/74/87/1127217487.db2.gz KGFSXPBPUHEHBJ-DTWKUNHWSA-N 1 2 330.329 3.937 20 0 EHADLO COC(=O)c1occc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181255372 1127271236 /nfs/dbraw/zinc/27/12/36/1127271236.db2.gz QOVKTJDMAVKRLZ-UHFFFAOYSA-N 1 2 335.350 3.904 20 0 EHADLO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000181238671 1127270838 /nfs/dbraw/zinc/27/08/38/1127270838.db2.gz IEPDDHJORJBYFT-QAPCUYQASA-N 1 2 341.455 3.985 20 0 EHADLO CCn1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)nc2cc(F)ccc21 ZINC000181459203 1127277741 /nfs/dbraw/zinc/27/77/41/1127277741.db2.gz QMRIYBCAGJRDCI-UHFFFAOYSA-N 1 2 349.369 3.633 20 0 EHADLO Cc1cccc(C)c1CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000181477321 1127278104 /nfs/dbraw/zinc/27/81/04/1127278104.db2.gz RQBXSLTUJVKXMN-KRWDZBQOSA-N 1 2 333.435 3.909 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](CC(C)C)c2ccccc2OC)n1 ZINC000181702781 1127290167 /nfs/dbraw/zinc/29/01/67/1127290167.db2.gz IYDDZQLFRQISBI-MRXNPFEDSA-N 1 2 329.444 3.630 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)NC1CC1 ZINC000181889769 1127301353 /nfs/dbraw/zinc/30/13/53/1127301353.db2.gz JOTDBMDHQFNDSI-GOSISDBHSA-N 1 2 349.261 3.951 20 0 EHADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)c1 ZINC000182001682 1127307571 /nfs/dbraw/zinc/30/75/71/1127307571.db2.gz ROULSZOGDSFJAW-GOSISDBHSA-N 1 2 348.450 3.650 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000182051294 1127310029 /nfs/dbraw/zinc/31/00/29/1127310029.db2.gz FWEZGGINMOOQJZ-DYVFJYSZSA-N 1 2 333.432 3.663 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(CCCc2ccccc2Cl)CC1 ZINC000182074676 1127311043 /nfs/dbraw/zinc/31/10/43/1127311043.db2.gz KXASUNRFUGCGOG-UHFFFAOYSA-N 1 2 347.890 3.695 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(c3nc[nH]n3)CC2)nc2ccccc12 ZINC000083444308 1127333456 /nfs/dbraw/zinc/33/34/56/1127333456.db2.gz IYPYWJYEIXFZGE-UHFFFAOYSA-N 1 2 341.846 3.694 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1c(C)noc1C ZINC000182512261 1127333811 /nfs/dbraw/zinc/33/38/11/1127333811.db2.gz FDGTYAOVLSPHEO-INIZCTEOSA-N 1 2 345.834 3.766 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cc1Cl)c1nccn1C ZINC000182634305 1127340681 /nfs/dbraw/zinc/34/06/81/1127340681.db2.gz VODKLLLFRURAJK-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000182908710 1127353722 /nfs/dbraw/zinc/35/37/22/1127353722.db2.gz WODSXQNKXDYBDP-YEBMWUKDSA-N 1 2 343.427 3.922 20 0 EHADLO CCN(CC)C(=O)C[C@H](C)[NH2+]c1ccc(N2CCSCC2)cc1C ZINC000183017583 1127359265 /nfs/dbraw/zinc/35/92/65/1127359265.db2.gz JNJZDVSTUYAPAJ-INIZCTEOSA-N 1 2 349.544 3.607 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c(F)c1 ZINC000183538740 1127380256 /nfs/dbraw/zinc/38/02/56/1127380256.db2.gz SVEGHLMRTMKJSL-OAHLLOKOSA-N 1 2 334.416 3.618 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000184185717 1127397715 /nfs/dbraw/zinc/39/77/15/1127397715.db2.gz ZTDFFTFVVMLORN-GOSISDBHSA-N 1 2 344.455 3.784 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)n1 ZINC000184245065 1127399166 /nfs/dbraw/zinc/39/91/66/1127399166.db2.gz WNHKNUWCYIXEGB-CABCVRRESA-N 1 2 331.485 3.596 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cs1 ZINC000184696768 1127411174 /nfs/dbraw/zinc/41/11/74/1127411174.db2.gz AIIGKLNGPAYZLB-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1ncc(C)s1)c1ccccc1 ZINC000185026878 1127418797 /nfs/dbraw/zinc/41/87/97/1127418797.db2.gz UJBBPRIMKUNDEQ-ZBFHGGJFSA-N 1 2 331.485 3.760 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000764783480 1127531067 /nfs/dbraw/zinc/53/10/67/1127531067.db2.gz MGYOOXFZGAWQBT-ZIAGYGMSSA-N 1 2 343.389 3.824 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c(=O)c2ccccc12 ZINC000764953236 1127556665 /nfs/dbraw/zinc/55/66/65/1127556665.db2.gz DLSUCMZHNRFISV-INIZCTEOSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)c(=O)c2ccccc12 ZINC000764953236 1127556668 /nfs/dbraw/zinc/55/66/68/1127556668.db2.gz DLSUCMZHNRFISV-INIZCTEOSA-N 1 2 339.483 3.955 20 0 EHADLO CC[C@@]1(C)CC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000765074598 1127570419 /nfs/dbraw/zinc/57/04/19/1127570419.db2.gz SVHWBEBXSIROSO-SFHVURJKSA-N 1 2 346.500 3.610 20 0 EHADLO CC[C@@]1(C)CC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000765074598 1127570424 /nfs/dbraw/zinc/57/04/24/1127570424.db2.gz SVHWBEBXSIROSO-SFHVURJKSA-N 1 2 346.500 3.610 20 0 EHADLO COC(=O)c1[nH+]ccc(NCc2cccc(C(F)(F)F)c2C)c1C ZINC001168538573 1127589141 /nfs/dbraw/zinc/58/91/41/1127589141.db2.gz HXMHCRRJSUOIAI-UHFFFAOYSA-N 1 2 338.329 3.538 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)o1 ZINC000765315776 1127596079 /nfs/dbraw/zinc/59/60/79/1127596079.db2.gz KMQVZYWRWCJTGY-GJZGRUSLSA-N 1 2 332.469 3.658 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000765318002 1127598248 /nfs/dbraw/zinc/59/82/48/1127598248.db2.gz GZCQAZIHOSTKQO-YJBOKZPZSA-N 1 2 346.471 3.534 20 0 EHADLO C/C=C(/C=C/C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)CC ZINC000765441115 1127612463 /nfs/dbraw/zinc/61/24/63/1127612463.db2.gz IXNCPSANPLIKAJ-MCPMEUTQSA-N 1 2 327.472 3.991 20 0 EHADLO CC[NH+](CC)[C@@H](CNCc1ccnn1C1CCC1)c1ccsc1 ZINC000921525215 1127626013 /nfs/dbraw/zinc/62/60/13/1127626013.db2.gz WXOWKNIRUSHMMF-SFHVURJKSA-N 1 2 332.517 3.842 20 0 EHADLO CC[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)s1 ZINC000016341573 1127661769 /nfs/dbraw/zinc/66/17/69/1127661769.db2.gz KRLKEZCVYXFILH-UHFFFAOYSA-N 1 2 328.890 3.601 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)s1 ZINC000016341573 1127661772 /nfs/dbraw/zinc/66/17/72/1127661772.db2.gz KRLKEZCVYXFILH-UHFFFAOYSA-N 1 2 328.890 3.601 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cs1 ZINC000671638025 1127757239 /nfs/dbraw/zinc/75/72/39/1127757239.db2.gz PNLPBXMEAQAPSY-INIZCTEOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cs1 ZINC000671638025 1127757242 /nfs/dbraw/zinc/75/72/42/1127757242.db2.gz PNLPBXMEAQAPSY-INIZCTEOSA-N 1 2 341.436 3.680 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000027474145 1127780902 /nfs/dbraw/zinc/78/09/02/1127780902.db2.gz SCBPBHYGFTYTBU-VBKZILBWSA-N 1 2 340.492 3.935 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000027474145 1127780904 /nfs/dbraw/zinc/78/09/04/1127780904.db2.gz SCBPBHYGFTYTBU-VBKZILBWSA-N 1 2 340.492 3.935 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000671667925 1127796293 /nfs/dbraw/zinc/79/62/93/1127796293.db2.gz GOXPCMDOBDDESC-FFZOFVMBSA-N 1 2 326.484 3.725 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000029951252 1127811533 /nfs/dbraw/zinc/81/15/33/1127811533.db2.gz QMAGBXOIYQEVIA-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 ZINC000032499467 1127852718 /nfs/dbraw/zinc/85/27/18/1127852718.db2.gz RWTZAVWDTKTVGS-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](C)c2cccc(F)c2)c1C ZINC000172286871 1127872930 /nfs/dbraw/zinc/87/29/30/1127872930.db2.gz HZXSEJQADDYNNP-CYBMUJFWSA-N 1 2 344.430 3.998 20 0 EHADLO c1csc(-c2cncc(NC3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000338647315 1127973971 /nfs/dbraw/zinc/97/39/71/1127973971.db2.gz QLQBZKDOGVSSTD-UHFFFAOYSA-N 1 2 337.452 3.681 20 0 EHADLO Oc1cc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC001212360254 1127980185 /nfs/dbraw/zinc/98/01/85/1127980185.db2.gz QDCJTAZTKBWVAK-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265683127 1127981699 /nfs/dbraw/zinc/98/16/99/1127981699.db2.gz VFYTUTIGIBFLTK-IBGZPJMESA-N 1 2 334.423 3.550 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000046541413 1127982121 /nfs/dbraw/zinc/98/21/21/1127982121.db2.gz PLMZOQFDBVVVIF-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO CCOc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC001212362272 1127994699 /nfs/dbraw/zinc/99/46/99/1127994699.db2.gz IJKABJOYTXXTQM-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO Oc1ccc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC001212361793 1127991393 /nfs/dbraw/zinc/99/13/93/1127991393.db2.gz AGOLRTPLCGYNHC-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO FC(F)(F)Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212362930 1128007035 /nfs/dbraw/zinc/00/70/35/1128007035.db2.gz VILNWMHPHYLVRB-UHFFFAOYSA-N 1 2 337.345 3.767 20 0 EHADLO COc1c(Cl)cccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056287403 1128015450 /nfs/dbraw/zinc/01/54/50/1128015450.db2.gz DADCNDUJULHWAM-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000056658100 1128025604 /nfs/dbraw/zinc/02/56/04/1128025604.db2.gz FTLOGGFHRSUMTG-OAHLLOKOSA-N 1 2 342.443 3.883 20 0 EHADLO O=C(/C=C\c1nc2ccccc2o1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866903 1128030801 /nfs/dbraw/zinc/03/08/01/1128030801.db2.gz WKFXFDFMZVUWFW-KTKRTIGZSA-N 1 2 330.347 3.665 20 0 EHADLO CC(C)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000056895461 1128031662 /nfs/dbraw/zinc/03/16/62/1128031662.db2.gz ZCAAHOLUBMUICP-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000057813786 1128058235 /nfs/dbraw/zinc/05/82/35/1128058235.db2.gz YGBSFZVJVVGHRT-QGZVFWFLSA-N 1 2 348.368 3.834 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000057813786 1128058239 /nfs/dbraw/zinc/05/82/39/1128058239.db2.gz YGBSFZVJVVGHRT-QGZVFWFLSA-N 1 2 348.368 3.834 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)ccc2C)c1C ZINC000058604988 1128073885 /nfs/dbraw/zinc/07/38/85/1128073885.db2.gz FUYPMSVZGWCXRV-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCc2cccs2)c1C ZINC000058958376 1128086339 /nfs/dbraw/zinc/08/63/39/1128086339.db2.gz MTSIJBXFUGTRAR-UHFFFAOYSA-N 1 2 332.469 3.750 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000059258870 1128088773 /nfs/dbraw/zinc/08/87/73/1128088773.db2.gz MNKNMULEVLMSPK-MRXNPFEDSA-N 1 2 347.846 3.761 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000059258870 1128088777 /nfs/dbraw/zinc/08/87/77/1128088777.db2.gz MNKNMULEVLMSPK-MRXNPFEDSA-N 1 2 347.846 3.761 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000059405416 1128090384 /nfs/dbraw/zinc/09/03/84/1128090384.db2.gz KJPAVKYVYNBIBX-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000059405416 1128090386 /nfs/dbraw/zinc/09/03/86/1128090386.db2.gz KJPAVKYVYNBIBX-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO CC[N@H+](Cc1c(C)cnn1C)Cc1cc(Br)ccc1F ZINC000347590097 1128124762 /nfs/dbraw/zinc/12/47/62/1128124762.db2.gz AMMFNLYFBHTRET-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CC[N@@H+](Cc1c(C)cnn1C)Cc1cc(Br)ccc1F ZINC000347590097 1128124764 /nfs/dbraw/zinc/12/47/64/1128124764.db2.gz AMMFNLYFBHTRET-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(CC)nc1)CC2 ZINC000347596984 1128129206 /nfs/dbraw/zinc/12/92/06/1128129206.db2.gz WNAOZMUCRMIFCL-UHFFFAOYSA-N 1 2 340.467 4.000 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(CC)nc1)CC2 ZINC000347596984 1128129208 /nfs/dbraw/zinc/12/92/08/1128129208.db2.gz WNAOZMUCRMIFCL-UHFFFAOYSA-N 1 2 340.467 4.000 20 0 EHADLO C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000065843570 1128203861 /nfs/dbraw/zinc/20/38/61/1128203861.db2.gz IHLUQZXKZVAEES-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO O=C(Nc1cc(Cl)ccc1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067145396 1128235169 /nfs/dbraw/zinc/23/51/69/1128235169.db2.gz DNCHHZUEYALVFG-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000654893694 1128236088 /nfs/dbraw/zinc/23/60/88/1128236088.db2.gz OWQHLFNSANPTCT-ABAIWWIYSA-N 1 2 337.345 3.683 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089253 1128282289 /nfs/dbraw/zinc/28/22/89/1128282289.db2.gz ZWANVJODPIWGMV-AWEZNQCLSA-N 1 2 343.858 3.619 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089253 1128282293 /nfs/dbraw/zinc/28/22/93/1128282293.db2.gz ZWANVJODPIWGMV-AWEZNQCLSA-N 1 2 343.858 3.619 20 0 EHADLO CC(C)C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000073282943 1128319699 /nfs/dbraw/zinc/31/96/99/1128319699.db2.gz VEXBPCTVOFPGRU-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000073566129 1128325420 /nfs/dbraw/zinc/32/54/20/1128325420.db2.gz FTSOPDZSMVQRKA-KRWDZBQOSA-N 1 2 340.471 3.509 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000073809722 1128329195 /nfs/dbraw/zinc/32/91/95/1128329195.db2.gz GANMPSLWTIAHES-RDJZCZTQSA-N 1 2 344.459 3.748 20 0 EHADLO C[C@@H](CCNC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000074388680 1128340481 /nfs/dbraw/zinc/34/04/81/1128340481.db2.gz NEPLQNUUSLDYTC-ZDUSSCGKSA-N 1 2 339.361 3.602 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC001687482808 1128341897 /nfs/dbraw/zinc/34/18/97/1128341897.db2.gz DPTQDLIRVSCFRJ-DLBZAZTESA-N 1 2 347.528 3.883 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075623623 1128373609 /nfs/dbraw/zinc/37/36/09/1128373609.db2.gz VOWZKTXCCCQMQI-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075623623 1128373613 /nfs/dbraw/zinc/37/36/13/1128373613.db2.gz VOWZKTXCCCQMQI-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1ccc(-c2nc(CN3CCC[C@@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000444806826 1128386006 /nfs/dbraw/zinc/38/60/06/1128386006.db2.gz MZWBONJKHRFKKX-CQSZACIVSA-N 1 2 342.468 3.825 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCSc4ccccc43)[nH+]c12 ZINC000624536575 1128389024 /nfs/dbraw/zinc/38/90/24/1128389024.db2.gz KZUCEPWGAUQUCE-MRXNPFEDSA-N 1 2 337.448 3.539 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@@H](C)[S@@]1=O ZINC000348549026 1128444079 /nfs/dbraw/zinc/44/40/79/1128444079.db2.gz RDAJOVHKJZMUQV-YLEKAMJDSA-N 1 2 331.481 3.986 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@@H](C)[S@@]1=O ZINC000348549026 1128444082 /nfs/dbraw/zinc/44/40/82/1128444082.db2.gz RDAJOVHKJZMUQV-YLEKAMJDSA-N 1 2 331.481 3.986 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CSCCS3)cc2)[nH+]c1C ZINC000921660095 1128440028 /nfs/dbraw/zinc/44/00/28/1128440028.db2.gz MGPRERGJTNHNFK-HNNXBMFYSA-N 1 2 347.509 3.871 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)cc2)[nH+]c1C ZINC000921668737 1128448378 /nfs/dbraw/zinc/44/83/78/1128448378.db2.gz JKUACCCKNLNHMI-USJXKXFVSA-N 1 2 327.428 3.692 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282275923 1128453052 /nfs/dbraw/zinc/45/30/52/1128453052.db2.gz KNICAFMDMIGGAK-CVTTXWKISA-N 1 2 349.478 3.947 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1cscc1Br ZINC000352815341 1128453788 /nfs/dbraw/zinc/45/37/88/1128453788.db2.gz LFEFZRAPKDKDGZ-UHFFFAOYSA-N 1 2 341.274 3.984 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000282291567 1128511450 /nfs/dbraw/zinc/51/14/50/1128511450.db2.gz LNCRJOWKWZKSLG-INIZCTEOSA-N 1 2 341.430 3.687 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cncc(-c3cccs3)n1)CCC2 ZINC000338685886 1128527091 /nfs/dbraw/zinc/52/70/91/1128527091.db2.gz YHKSYFKKEVICQO-CYBMUJFWSA-N 1 2 325.441 3.700 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@H]1CCNc2ccccc21 ZINC001168642200 1128572892 /nfs/dbraw/zinc/57/28/92/1128572892.db2.gz WZCZJVQMMBWPLY-KRWDZBQOSA-N 1 2 339.439 3.935 20 0 EHADLO C[C@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ncc[nH]1 ZINC000353523381 1128585764 /nfs/dbraw/zinc/58/57/64/1128585764.db2.gz TWZDKGJBONJJMG-KBXCAEBGSA-N 1 2 349.413 3.991 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3/C=C\c3ccccc3)[nH+]c12 ZINC000542804656 1128641916 /nfs/dbraw/zinc/64/19/16/1128641916.db2.gz SBPZNNHRHMHHKL-DUQGCJEPSA-N 1 2 345.446 3.890 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)s1 ZINC000542811224 1128656377 /nfs/dbraw/zinc/65/63/77/1128656377.db2.gz YQFTWCXXZOAAOE-SECBINFHSA-N 1 2 331.470 3.524 20 0 EHADLO C[C@@H](CNC(=O)C1(c2cccc(F)c2)CCCCC1)Cn1cc[nH+]c1 ZINC000153749264 1128666989 /nfs/dbraw/zinc/66/69/89/1128666989.db2.gz TVGQCKBTPMBRBT-INIZCTEOSA-N 1 2 343.446 3.677 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC2CCC(C)CC2)cc1 ZINC000303679987 1128687586 /nfs/dbraw/zinc/68/75/86/1128687586.db2.gz RMNNHZXWTKRJNV-NKELODKYSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC2CCC(C)CC2)cc1 ZINC000303679987 1128687587 /nfs/dbraw/zinc/68/75/87/1128687587.db2.gz RMNNHZXWTKRJNV-NKELODKYSA-N 1 2 346.540 3.780 20 0 EHADLO Brc1ccc2[nH+]ccn2c1N[C@H]1CCCc2cccnc21 ZINC001168659267 1128719321 /nfs/dbraw/zinc/71/93/21/1128719321.db2.gz NRFDJLHRCAAAPS-ZDUSSCGKSA-N 1 2 343.228 3.981 20 0 EHADLO C[C@H](CNc1ncnc2sc3c(c21)CC[C@@H](C)C3)Cn1cc[nH+]c1 ZINC000060380085 1128726978 /nfs/dbraw/zinc/72/69/78/1128726978.db2.gz CVQBDDDGQOCKRB-CHWSQXEVSA-N 1 2 341.484 3.761 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cnn1-c1ccc(F)cc1 ZINC000347667793 1128749790 /nfs/dbraw/zinc/74/97/90/1128749790.db2.gz DITUBSFILOTOKL-AWEZNQCLSA-N 1 2 341.434 3.948 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282312013 1128745367 /nfs/dbraw/zinc/74/53/67/1128745367.db2.gz MURQPGDPGDJNIC-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2=O ZINC000338730564 1128775670 /nfs/dbraw/zinc/77/56/70/1128775670.db2.gz WGSHCCQWKGBXIO-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156476 1128820392 /nfs/dbraw/zinc/82/03/92/1128820392.db2.gz PDLBSQPVARAYKR-ZBZXYNRHSA-N 1 2 343.515 3.947 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1F ZINC000656207400 1128816886 /nfs/dbraw/zinc/81/68/86/1128816886.db2.gz VYPZITDZDMOEOB-WMLDXEAASA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1F ZINC000656207400 1128816889 /nfs/dbraw/zinc/81/68/89/1128816889.db2.gz VYPZITDZDMOEOB-WMLDXEAASA-N 1 2 344.434 3.530 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H](C3CC3)[C@H]3CCCCO3)c12 ZINC000656206690 1128817978 /nfs/dbraw/zinc/81/79/78/1128817978.db2.gz FAXXMYXTZUBJFB-MSOLQXFVSA-N 1 2 349.438 3.575 20 0 EHADLO Fc1cc(NCc2c(Cl)n[nH]c2C2CC2)ccc1-n1cc[nH+]c1 ZINC000921880526 1128871744 /nfs/dbraw/zinc/87/17/44/1128871744.db2.gz FLGAXTRBUQVTPJ-UHFFFAOYSA-N 1 2 331.782 3.877 20 0 EHADLO Cc1cccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1C ZINC000227828155 1120185533 /nfs/dbraw/zinc/18/55/33/1120185533.db2.gz GCMYFXAGWBBWIP-UHFFFAOYSA-N 1 2 328.403 3.553 20 0 EHADLO CCCCNc1ccccc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001648950798 1120252218 /nfs/dbraw/zinc/25/22/18/1120252218.db2.gz CAADWGMAUOWFKX-HXUWFJFHSA-N 1 2 337.467 3.815 20 0 EHADLO CCCCNc1ccccc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001648950798 1120252220 /nfs/dbraw/zinc/25/22/20/1120252220.db2.gz CAADWGMAUOWFKX-HXUWFJFHSA-N 1 2 337.467 3.815 20 0 EHADLO CC(C)[C@H](CNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000672295069 1128908528 /nfs/dbraw/zinc/90/85/28/1128908528.db2.gz FAGKGZRWNQVXQS-KRWDZBQOSA-N 1 2 333.863 3.873 20 0 EHADLO O=C(NC(C1CCCCC1)C1CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001687421410 1120334096 /nfs/dbraw/zinc/33/40/96/1120334096.db2.gz KGPCBPFNMJZFSK-KRWDZBQOSA-N 1 2 344.503 3.636 20 0 EHADLO CCCC1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001687424332 1120336059 /nfs/dbraw/zinc/33/60/59/1120336059.db2.gz UBBYCCXVUSEDJR-LJQANCHMSA-N 1 2 340.471 3.846 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000355257635 1128909753 /nfs/dbraw/zinc/90/97/53/1128909753.db2.gz RAHDKMZBKFRJLG-UHFFFAOYSA-N 1 2 345.855 3.635 20 0 EHADLO COc1cccc2[nH+]c(NCc3ccc(OC4COC4)cc3)ccc21 ZINC001168462481 1120386399 /nfs/dbraw/zinc/38/63/99/1120386399.db2.gz SOHOVOQYHCLPHG-UHFFFAOYSA-N 1 2 336.391 3.633 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000185903036 1120434650 /nfs/dbraw/zinc/43/46/50/1120434650.db2.gz SFMYBBQNYCIDES-MYSGNRETSA-N 1 2 339.468 3.887 20 0 EHADLO COc1ccc(F)cc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000185996335 1120439200 /nfs/dbraw/zinc/43/92/00/1120439200.db2.gz QVIDQABKAOYPIJ-UHFFFAOYSA-N 1 2 349.369 3.575 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1OC(F)F ZINC000186539798 1120465664 /nfs/dbraw/zinc/46/56/64/1120465664.db2.gz XLHIGVCKRWSZPW-ZWNOBZJWSA-N 1 2 329.318 3.794 20 0 EHADLO CC(C)(C)c1ccc(Cl)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000670058894 1120520591 /nfs/dbraw/zinc/52/05/91/1120520591.db2.gz SQAQLYITXUCZIY-ZDUSSCGKSA-N 1 2 346.862 3.971 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)C/C(C)=C/c2ccccc2)cc1 ZINC000494263099 1120523694 /nfs/dbraw/zinc/52/36/94/1120523694.db2.gz VIQFRLVHXKKGJT-DTQAZKPQSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)C/C(C)=C/c2ccccc2)cc1 ZINC000494263099 1120523696 /nfs/dbraw/zinc/52/36/96/1120523696.db2.gz VIQFRLVHXKKGJT-DTQAZKPQSA-N 1 2 336.435 3.863 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000494298343 1120529040 /nfs/dbraw/zinc/52/90/40/1120529040.db2.gz MXTKAVFVKKPPTK-XQRVVYSFSA-N 1 2 325.456 3.959 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921929786 1128925484 /nfs/dbraw/zinc/92/54/84/1128925484.db2.gz XXJAQKXNOQNUER-UHFFFAOYSA-N 1 2 344.640 3.514 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000191371910 1120671031 /nfs/dbraw/zinc/67/10/31/1120671031.db2.gz AIZYBDPHPAJMMB-NRFANRHFSA-N 1 2 339.435 3.755 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000191371910 1120671033 /nfs/dbraw/zinc/67/10/33/1120671033.db2.gz AIZYBDPHPAJMMB-NRFANRHFSA-N 1 2 339.435 3.755 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000191673132 1120686244 /nfs/dbraw/zinc/68/62/44/1120686244.db2.gz YVZFEPZYGCUUOF-KYOSRNDESA-N 1 2 348.493 3.645 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000191673132 1120686245 /nfs/dbraw/zinc/68/62/45/1120686245.db2.gz YVZFEPZYGCUUOF-KYOSRNDESA-N 1 2 348.493 3.645 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC000192256369 1120727903 /nfs/dbraw/zinc/72/79/03/1120727903.db2.gz MVNIFZJAONSKCN-KRWDZBQOSA-N 1 2 349.519 3.812 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccn1C1CCCC1 ZINC000192259693 1120728781 /nfs/dbraw/zinc/72/87/81/1120728781.db2.gz JVUWPIUAYBAQCC-UHFFFAOYSA-N 1 2 342.487 3.915 20 0 EHADLO COc1cc(SC)ccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000193248205 1120766524 /nfs/dbraw/zinc/76/65/24/1120766524.db2.gz QFRDBOOGUBVFLN-UHFFFAOYSA-N 1 2 339.420 3.855 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C4CC4)C3)cn2c1 ZINC000494751398 1120772865 /nfs/dbraw/zinc/77/28/65/1120772865.db2.gz LFIQPEPXIDBMPE-INIZCTEOSA-N 1 2 343.496 3.525 20 0 EHADLO COC[C@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccc(Cl)cc1 ZINC000193677888 1120791734 /nfs/dbraw/zinc/79/17/34/1120791734.db2.gz MUZOSDPXSXGIBU-AWEZNQCLSA-N 1 2 339.844 3.665 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000351260428 1120800655 /nfs/dbraw/zinc/80/06/55/1120800655.db2.gz KUBKXOWMLIHSMJ-AWEZNQCLSA-N 1 2 333.382 3.552 20 0 EHADLO CCN(c1[nH+]cnc2c1cnn2C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000194952159 1120872850 /nfs/dbraw/zinc/87/28/50/1120872850.db2.gz NMSXFORFRQSGMO-LLVKDONJSA-N 1 2 349.360 3.970 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+](CN2CCSC2=S)C2CC2)cc1 ZINC000914567572 1120902961 /nfs/dbraw/zinc/90/29/61/1120902961.db2.gz NDNNJPPXMSODRK-UHFFFAOYSA-N 1 2 346.443 3.961 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+](CN2CCSC2=S)C2CC2)cc1 ZINC000914567572 1120902964 /nfs/dbraw/zinc/90/29/64/1120902964.db2.gz NDNNJPPXMSODRK-UHFFFAOYSA-N 1 2 346.443 3.961 20 0 EHADLO CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001127310180 1120904695 /nfs/dbraw/zinc/90/46/95/1120904695.db2.gz LIXJFLINQTXXTQ-VSRDTVRMSA-N 1 2 349.478 3.787 20 0 EHADLO CSc1ccc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000494967518 1120921253 /nfs/dbraw/zinc/92/12/53/1120921253.db2.gz ATYNHEXJZIXIKS-KRWDZBQOSA-N 1 2 330.501 3.980 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000153281992 1120936355 /nfs/dbraw/zinc/93/63/55/1120936355.db2.gz NPUXFWOOYFRBTQ-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000153281992 1120936360 /nfs/dbraw/zinc/93/63/60/1120936360.db2.gz NPUXFWOOYFRBTQ-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000495066188 1120943151 /nfs/dbraw/zinc/94/31/51/1120943151.db2.gz LCDYKDRDVQQDEK-HNAYVOBHSA-N 1 2 342.487 3.903 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C1(CC)CC ZINC000495096088 1120951887 /nfs/dbraw/zinc/95/18/87/1120951887.db2.gz ZNOHGLYBGNEDDA-BBWFWOEESA-N 1 2 334.508 4.000 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153316693 1120957587 /nfs/dbraw/zinc/95/75/87/1120957587.db2.gz PEKCAIJSCFDSLD-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153316693 1120957589 /nfs/dbraw/zinc/95/75/89/1120957589.db2.gz PEKCAIJSCFDSLD-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO C[Si](C)(C)c1ccc[nH+]c1N[C@H](c1ccccn1)C(F)(F)F ZINC001168479063 1120972863 /nfs/dbraw/zinc/97/28/63/1120972863.db2.gz RKMDYKAANKIZAT-CYBMUJFWSA-N 1 2 325.410 3.737 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(-c2ccc(F)cc2)oc1=S ZINC000914783562 1120984340 /nfs/dbraw/zinc/98/43/40/1120984340.db2.gz UTIXNGQZWQZSBG-UHFFFAOYSA-N 1 2 339.436 3.574 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(-c2ccc(F)cc2)oc1=S ZINC000914783562 1120984342 /nfs/dbraw/zinc/98/43/42/1120984342.db2.gz UTIXNGQZWQZSBG-UHFFFAOYSA-N 1 2 339.436 3.574 20 0 EHADLO Cc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc2[nH]cnc21 ZINC000762174430 1121145867 /nfs/dbraw/zinc/14/58/67/1121145867.db2.gz PMSLAROCYWBMIH-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO c1nnc(C[NH2+]Cc2ccccc2N2CCCCC2)n1-c1ccccc1 ZINC000915229595 1121266612 /nfs/dbraw/zinc/26/66/12/1121266612.db2.gz JOWBZOQHPOIEGW-UHFFFAOYSA-N 1 2 347.466 3.547 20 0 EHADLO CC/C=C(/C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000915266968 1121285751 /nfs/dbraw/zinc/28/57/51/1121285751.db2.gz VBJSTVZDPQVXBF-CPSFFCFKSA-N 1 2 340.389 3.706 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCSCc1cccc2ccccc21 ZINC000053583635 1121287919 /nfs/dbraw/zinc/28/79/19/1121287919.db2.gz JWNWEYGXSLJKKS-UHFFFAOYSA-N 1 2 349.463 3.862 20 0 EHADLO COc1ccccc1[C@@H](Nc1[nH+]c2ccccc2n1C)c1nccn1C ZINC000762509933 1121334330 /nfs/dbraw/zinc/33/43/30/1121334330.db2.gz JWTXCRIJYOIZIW-GOSISDBHSA-N 1 2 347.422 3.517 20 0 EHADLO Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000032404461 1121337027 /nfs/dbraw/zinc/33/70/27/1121337027.db2.gz QOZXHPATXNEAFS-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO Cc1ccncc1C[N@H+](C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000495776150 1121417545 /nfs/dbraw/zinc/41/75/45/1121417545.db2.gz FMETTZCUJZXMEB-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO Cc1ccncc1C[N@@H+](C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000495776150 1121417547 /nfs/dbraw/zinc/41/75/47/1121417547.db2.gz FMETTZCUJZXMEB-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1CNc1ccn2cc[nH+]c2c1 ZINC001168494652 1121463664 /nfs/dbraw/zinc/46/36/64/1121463664.db2.gz BAODBLYUIPPXAI-UHFFFAOYSA-N 1 2 337.301 3.854 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3sccc32)cs1 ZINC000236839997 1121465463 /nfs/dbraw/zinc/46/54/63/1121465463.db2.gz UFQJAQJKBCPVNG-CQSZACIVSA-N 1 2 335.498 3.745 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000921982326 1128996814 /nfs/dbraw/zinc/99/68/14/1128996814.db2.gz GGYKVTKGUSYEQI-KRWDZBQOSA-N 1 2 344.434 3.708 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000026190144 1121648139 /nfs/dbraw/zinc/64/81/39/1121648139.db2.gz PSKJRDMGOPHRFP-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000026190144 1121648144 /nfs/dbraw/zinc/64/81/44/1121648144.db2.gz PSKJRDMGOPHRFP-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO CN(CCCCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193856632 1121721888 /nfs/dbraw/zinc/72/18/88/1121721888.db2.gz OKWVZQSTEOPEFX-UHFFFAOYSA-N 1 2 333.435 3.967 20 0 EHADLO c1csc(C[NH+]2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000054116726 1121737242 /nfs/dbraw/zinc/73/72/42/1121737242.db2.gz FGVXRKHTLYCFQJ-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC000055696840 1121857396 /nfs/dbraw/zinc/85/73/96/1121857396.db2.gz UAWSCDFRWSGWDP-LJQANCHMSA-N 1 2 331.419 3.609 20 0 EHADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466946 1121881362 /nfs/dbraw/zinc/88/13/62/1121881362.db2.gz DUHFOYUZBSTJHW-IRXDYDNUSA-N 1 2 328.460 3.537 20 0 EHADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466946 1121881371 /nfs/dbraw/zinc/88/13/71/1121881371.db2.gz DUHFOYUZBSTJHW-IRXDYDNUSA-N 1 2 328.460 3.537 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(C2SCCS2)cc1 ZINC000763286677 1121942525 /nfs/dbraw/zinc/94/25/25/1121942525.db2.gz BDDKJTYINIGHEE-UHFFFAOYSA-N 1 2 334.466 3.609 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cs1 ZINC000528846192 1122048724 /nfs/dbraw/zinc/04/87/24/1122048724.db2.gz HJUIOEBNHQOYRM-YVEFUNNKSA-N 1 2 347.484 3.885 20 0 EHADLO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)cc1OC ZINC000672622308 1129028594 /nfs/dbraw/zinc/02/85/94/1129028594.db2.gz WZENVEABOMNOOJ-WBMJQRKESA-N 1 2 329.387 3.559 20 0 EHADLO C[C@@H](C(=O)[C@@H](C#N)c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000153888530 1122087597 /nfs/dbraw/zinc/08/75/97/1122087597.db2.gz PFHQHWPRRLSKID-PXNSSMCTSA-N 1 2 347.462 3.601 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000496557962 1122118831 /nfs/dbraw/zinc/11/88/31/1122118831.db2.gz DYWFSZCHPALHLM-LBPRGKRZSA-N 1 2 344.415 3.574 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000496557962 1122118832 /nfs/dbraw/zinc/11/88/32/1122118832.db2.gz DYWFSZCHPALHLM-LBPRGKRZSA-N 1 2 344.415 3.574 20 0 EHADLO CCCn1c(C)nn(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000089651293 1122127914 /nfs/dbraw/zinc/12/79/14/1122127914.db2.gz LDACBRFBKMINMY-KBPBESRZSA-N 1 2 328.551 3.696 20 0 EHADLO CCCn1c(C)nn(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000089651293 1122127918 /nfs/dbraw/zinc/12/79/18/1122127918.db2.gz LDACBRFBKMINMY-KBPBESRZSA-N 1 2 328.551 3.696 20 0 EHADLO Cc1nc2cc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2o1 ZINC000916469120 1122166672 /nfs/dbraw/zinc/16/66/72/1122166672.db2.gz HSCBLFKNXYXYRM-MRXNPFEDSA-N 1 2 341.415 3.569 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1NC(=O)OC(C)(C)C)n1cc[nH+]c1 ZINC000496924081 1122210415 /nfs/dbraw/zinc/21/04/15/1122210415.db2.gz VSXZCLGAQGVAGD-ZDUSSCGKSA-N 1 2 344.415 3.820 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000496967265 1122215331 /nfs/dbraw/zinc/21/53/31/1122215331.db2.gz GUTHSINQHIVMQS-INIZCTEOSA-N 1 2 347.459 3.575 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000496967265 1122215334 /nfs/dbraw/zinc/21/53/34/1122215334.db2.gz GUTHSINQHIVMQS-INIZCTEOSA-N 1 2 347.459 3.575 20 0 EHADLO Cc1ccc2c(CC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)coc2c1 ZINC000126560003 1122412624 /nfs/dbraw/zinc/41/26/24/1122412624.db2.gz QNFHBUOSCYAHCM-QAPCUYQASA-N 1 2 337.423 3.590 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127104685 1122462132 /nfs/dbraw/zinc/46/21/32/1122462132.db2.gz DKWFFLRECSKARB-SJORKVTESA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127104685 1122462134 /nfs/dbraw/zinc/46/21/34/1122462134.db2.gz DKWFFLRECSKARB-SJORKVTESA-N 1 2 349.356 3.671 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000066562726 1122474473 /nfs/dbraw/zinc/47/44/73/1122474473.db2.gz PGJKZCYMQYAZSJ-DZGCQCFKSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000066562726 1122474478 /nfs/dbraw/zinc/47/44/78/1122474478.db2.gz PGJKZCYMQYAZSJ-DZGCQCFKSA-N 1 2 331.485 3.594 20 0 EHADLO CCCn1c(C)nnc1SCc1c[nH+]c(N(C)C)c2ccccc12 ZINC000917383613 1122594213 /nfs/dbraw/zinc/59/42/13/1122594213.db2.gz IWXBOXVYYOZVLX-UHFFFAOYSA-N 1 2 341.484 3.903 20 0 EHADLO CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000649067137 1122617083 /nfs/dbraw/zinc/61/70/83/1122617083.db2.gz QDVMZQLOWQMQPS-RDJZCZTQSA-N 1 2 338.455 3.556 20 0 EHADLO COC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000186509402 1129067166 /nfs/dbraw/zinc/06/71/66/1129067166.db2.gz CWRHRNZTZBIOCN-SECBINFHSA-N 1 2 332.213 3.514 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc2cnccc21 ZINC000352167681 1122698276 /nfs/dbraw/zinc/69/82/76/1122698276.db2.gz NJJAFKVSZDMFIZ-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000129052323 1122725175 /nfs/dbraw/zinc/72/51/75/1122725175.db2.gz GTIVRJBTRXPDEY-UHFFFAOYSA-N 1 2 348.450 3.867 20 0 EHADLO O=C1[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)CCN1c1ccccc1 ZINC000068946248 1122730594 /nfs/dbraw/zinc/73/05/94/1122730594.db2.gz YZEJEPVSDGFAMI-ICSRJNTNSA-N 1 2 332.403 3.764 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000918184024 1122772835 /nfs/dbraw/zinc/77/28/35/1122772835.db2.gz SKYQZQVKKXAXDP-HNNXBMFYSA-N 1 2 339.439 3.880 20 0 EHADLO O=C(Cc1ccc(F)cc1F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000129520453 1122793927 /nfs/dbraw/zinc/79/39/27/1122793927.db2.gz WCLBKCLYFHYRDH-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130139503 1122896463 /nfs/dbraw/zinc/89/64/63/1122896463.db2.gz PAVIZLFPQAEAEE-GDBMZVCRSA-N 1 2 331.485 3.685 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000130842016 1123010420 /nfs/dbraw/zinc/01/04/20/1123010420.db2.gz VOKZIEGKHKQSRG-UHFFFAOYSA-N 1 2 341.842 3.942 20 0 EHADLO COc1ncc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1Cl ZINC000556584044 1123047632 /nfs/dbraw/zinc/04/76/32/1123047632.db2.gz OKOOHILRVFQGEH-LLVKDONJSA-N 1 2 342.830 3.846 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000445167143 1123050184 /nfs/dbraw/zinc/05/01/84/1123050184.db2.gz YDIUHZKJBZJOAT-ZDUSSCGKSA-N 1 2 332.835 3.793 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000919502501 1123071965 /nfs/dbraw/zinc/07/19/65/1123071965.db2.gz ZRSWOYWUJNDTOF-NKUJDFQBSA-N 1 2 338.476 3.619 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)o1 ZINC000131365569 1123090620 /nfs/dbraw/zinc/09/06/20/1123090620.db2.gz SSTMBJKSGLDPRN-ZDUSSCGKSA-N 1 2 343.349 3.515 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)o1 ZINC000131365569 1123090624 /nfs/dbraw/zinc/09/06/24/1123090624.db2.gz SSTMBJKSGLDPRN-ZDUSSCGKSA-N 1 2 343.349 3.515 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2c(F)cccc2Cl)CC12CCCCC2 ZINC000498942213 1123122907 /nfs/dbraw/zinc/12/29/07/1123122907.db2.gz TXOPCTIONAPFEM-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2c(F)cccc2Cl)CC12CCCCC2 ZINC000498942213 1123122909 /nfs/dbraw/zinc/12/29/09/1123122909.db2.gz TXOPCTIONAPFEM-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000556813232 1123134236 /nfs/dbraw/zinc/13/42/36/1123134236.db2.gz CTESOLMAPQPGOG-OAQYLSRUSA-N 1 2 339.435 3.650 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000556813232 1123134237 /nfs/dbraw/zinc/13/42/37/1123134237.db2.gz CTESOLMAPQPGOG-OAQYLSRUSA-N 1 2 339.435 3.650 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c(F)c1 ZINC000131545388 1123135519 /nfs/dbraw/zinc/13/55/19/1123135519.db2.gz NZUFNFZZEAJNRQ-NSHDSACASA-N 1 2 333.794 3.986 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000556879196 1123169031 /nfs/dbraw/zinc/16/90/31/1123169031.db2.gz COIAXSLWQXGGSO-RDGPPVDQSA-N 1 2 333.472 3.515 20 0 EHADLO CCc1ccc([C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000131724942 1123173194 /nfs/dbraw/zinc/17/31/94/1123173194.db2.gz NSLUMDXTOIHQHS-IBGZPJMESA-N 1 2 342.487 3.874 20 0 EHADLO C[C@H]([NH2+]CCOc1cccc(F)c1)c1noc(Cc2ccccc2)n1 ZINC000542615875 1123193360 /nfs/dbraw/zinc/19/33/60/1123193360.db2.gz LIAOLSSEQMUTAK-AWEZNQCLSA-N 1 2 341.386 3.529 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000073715315 1123217115 /nfs/dbraw/zinc/21/71/15/1123217115.db2.gz JREWIFBHYQIEHA-HXUWFJFHSA-N 1 2 344.503 3.662 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466021706 1129106742 /nfs/dbraw/zinc/10/67/42/1129106742.db2.gz LGIBSJHMUFGLHX-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CCc4ccsc4C3)o2)cc1 ZINC000132811116 1123304013 /nfs/dbraw/zinc/30/40/13/1123304013.db2.gz XTXXDWZHGQXQME-UHFFFAOYSA-N 1 2 326.421 3.970 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CCc4ccsc4C3)o2)cc1 ZINC000132811116 1123304016 /nfs/dbraw/zinc/30/40/16/1123304016.db2.gz XTXXDWZHGQXQME-UHFFFAOYSA-N 1 2 326.421 3.970 20 0 EHADLO Clc1nc2ccccn2c1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000920179653 1123327676 /nfs/dbraw/zinc/32/76/76/1123327676.db2.gz IRGJQZINAKPMPX-UHFFFAOYSA-N 1 2 327.819 3.595 20 0 EHADLO CCc1c(C(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000920404968 1123364352 /nfs/dbraw/zinc/36/43/52/1123364352.db2.gz PDFMJFSVNDSLRK-CYBMUJFWSA-N 1 2 338.451 3.890 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000920404968 1123364356 /nfs/dbraw/zinc/36/43/56/1123364356.db2.gz PDFMJFSVNDSLRK-CYBMUJFWSA-N 1 2 338.451 3.890 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000920485559 1123374873 /nfs/dbraw/zinc/37/48/73/1123374873.db2.gz TZMLRMBYQMKSGZ-LJQANCHMSA-N 1 2 348.446 3.961 20 0 EHADLO CC(C)[C@H]1CCC[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000920485559 1123374881 /nfs/dbraw/zinc/37/48/81/1123374881.db2.gz TZMLRMBYQMKSGZ-LJQANCHMSA-N 1 2 348.446 3.961 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000920490536 1123375686 /nfs/dbraw/zinc/37/56/86/1123375686.db2.gz UGZSSYOBKXESLZ-UHFFFAOYSA-N 1 2 337.423 3.756 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000920490536 1123375690 /nfs/dbraw/zinc/37/56/90/1123375690.db2.gz UGZSSYOBKXESLZ-UHFFFAOYSA-N 1 2 337.423 3.756 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133292003 1123378389 /nfs/dbraw/zinc/37/83/89/1123378389.db2.gz OVSVNUIPDNGXIO-ROUUACIJSA-N 1 2 349.425 3.510 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133292003 1123378394 /nfs/dbraw/zinc/37/83/94/1123378394.db2.gz OVSVNUIPDNGXIO-ROUUACIJSA-N 1 2 349.425 3.510 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000133663653 1123413002 /nfs/dbraw/zinc/41/30/02/1123413002.db2.gz NBXRMQVKXSKBFR-UHFFFAOYSA-N 1 2 327.472 3.563 20 0 EHADLO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)[nH]n1 ZINC000195410222 1123425497 /nfs/dbraw/zinc/42/54/97/1123425497.db2.gz HZMDWJRUHCZFMQ-INIZCTEOSA-N 1 2 334.423 3.977 20 0 EHADLO c1cc([C@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)[nH]n1 ZINC000195410222 1123425502 /nfs/dbraw/zinc/42/55/02/1123425502.db2.gz HZMDWJRUHCZFMQ-INIZCTEOSA-N 1 2 334.423 3.977 20 0 EHADLO C[C@H]1CCC(C)(C)N1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920836421 1123429838 /nfs/dbraw/zinc/42/98/38/1123429838.db2.gz RMXQEKJRLPKTNG-DOTOQJQBSA-N 1 2 340.471 3.676 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969403 1123448199 /nfs/dbraw/zinc/44/81/99/1123448199.db2.gz QLOUUCSBKWUGJV-LBPRGKRZSA-N 1 2 328.378 3.850 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)o1 ZINC000076546785 1123500265 /nfs/dbraw/zinc/50/02/65/1123500265.db2.gz KZJPZESERNPCFL-OAHLLOKOSA-N 1 2 340.423 3.986 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)o1 ZINC000076546785 1123500266 /nfs/dbraw/zinc/50/02/66/1123500266.db2.gz KZJPZESERNPCFL-OAHLLOKOSA-N 1 2 340.423 3.986 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000134653046 1123540575 /nfs/dbraw/zinc/54/05/75/1123540575.db2.gz DRMZVTCFXZBQJP-GHMZBOCLSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(Cl)s1 ZINC000134653046 1123540578 /nfs/dbraw/zinc/54/05/78/1123540578.db2.gz DRMZVTCFXZBQJP-GHMZBOCLSA-N 1 2 345.896 3.674 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000077233778 1123541114 /nfs/dbraw/zinc/54/11/14/1123541114.db2.gz WLXKPPLGSVBKAZ-INIZCTEOSA-N 1 2 332.444 3.649 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000077233778 1123541115 /nfs/dbraw/zinc/54/11/15/1123541115.db2.gz WLXKPPLGSVBKAZ-INIZCTEOSA-N 1 2 332.444 3.649 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1sc2cc(Cl)ccc2c1Cl ZINC000135482752 1123620600 /nfs/dbraw/zinc/62/06/00/1123620600.db2.gz YLOPITMXCGMHDT-UHFFFAOYSA-N 1 2 340.235 3.904 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000609799370 1123664529 /nfs/dbraw/zinc/66/45/29/1123664529.db2.gz ZSPZJQNRQBOJFS-UHFFFAOYSA-N 1 2 336.284 3.969 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000609799370 1123664533 /nfs/dbraw/zinc/66/45/33/1123664533.db2.gz ZSPZJQNRQBOJFS-UHFFFAOYSA-N 1 2 336.284 3.969 20 0 EHADLO CCCC[C@H](CC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136196384 1123675738 /nfs/dbraw/zinc/67/57/38/1123675738.db2.gz LYBDUOWNGLSXAH-DLBZAZTESA-N 1 2 334.508 3.601 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000610004678 1123711426 /nfs/dbraw/zinc/71/14/26/1123711426.db2.gz XFDZMUWMVPHCIT-DGIBIBHMSA-N 1 2 338.325 3.538 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000610004678 1123711429 /nfs/dbraw/zinc/71/14/29/1123711429.db2.gz XFDZMUWMVPHCIT-DGIBIBHMSA-N 1 2 338.325 3.538 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccnc1C(F)(F)F ZINC000136755725 1123726873 /nfs/dbraw/zinc/72/68/73/1123726873.db2.gz XCAFWTSQFCAQKE-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO O=C(NCCC1=CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543038751 1129141803 /nfs/dbraw/zinc/14/18/03/1129141803.db2.gz TVMNCAKNJVKPMF-UHFFFAOYSA-N 1 2 344.503 3.975 20 0 EHADLO O=C(CCOc1cccc(Cl)c1)NCCCCNc1cccc[nH+]1 ZINC000078493440 1129151497 /nfs/dbraw/zinc/15/14/97/1129151497.db2.gz OLSGZXLAHYVBEG-UHFFFAOYSA-N 1 2 347.846 3.512 20 0 EHADLO CCc1oc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000245728629 1123939069 /nfs/dbraw/zinc/93/90/69/1123939069.db2.gz YDVZBLZASXSCTC-QAPCUYQASA-N 1 2 348.393 3.604 20 0 EHADLO CCc1oc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000245728629 1123939070 /nfs/dbraw/zinc/93/90/70/1123939070.db2.gz YDVZBLZASXSCTC-QAPCUYQASA-N 1 2 348.393 3.604 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245784745 1123951293 /nfs/dbraw/zinc/95/12/93/1123951293.db2.gz VUOKUKCNLJBLSC-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245784745 1123951294 /nfs/dbraw/zinc/95/12/94/1123951294.db2.gz VUOKUKCNLJBLSC-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@]1(O)CC[N@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180184116 1123957182 /nfs/dbraw/zinc/95/71/82/1123957182.db2.gz SNTSHCJDWMFPNM-OAHLLOKOSA-N 1 2 340.901 3.904 20 0 EHADLO C[C@@]1(O)CC[N@@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180184116 1123957185 /nfs/dbraw/zinc/95/71/85/1123957185.db2.gz SNTSHCJDWMFPNM-OAHLLOKOSA-N 1 2 340.901 3.904 20 0 EHADLO Cc1cc(Cl)cc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1O ZINC000180249265 1123969508 /nfs/dbraw/zinc/96/95/08/1123969508.db2.gz NTLDJYOYZMXDNY-HNNXBMFYSA-N 1 2 345.874 3.628 20 0 EHADLO Cc1ccccc1[C@H]1CC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000068876253 1124047503 /nfs/dbraw/zinc/04/75/03/1124047503.db2.gz VOBOVZCVNYNHLQ-HNNXBMFYSA-N 1 2 330.501 3.925 20 0 EHADLO Cc1ccccc1[C@H]1CC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000068876253 1124047508 /nfs/dbraw/zinc/04/75/08/1124047508.db2.gz VOBOVZCVNYNHLQ-HNNXBMFYSA-N 1 2 330.501 3.925 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246987863 1124575883 /nfs/dbraw/zinc/57/58/83/1124575883.db2.gz TXENICZFCBYFKF-XZJROXQQSA-N 1 2 341.858 3.664 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246987863 1124575893 /nfs/dbraw/zinc/57/58/93/1124575893.db2.gz TXENICZFCBYFKF-XZJROXQQSA-N 1 2 341.858 3.664 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247343832 1124605927 /nfs/dbraw/zinc/60/59/27/1124605927.db2.gz HSRAGOHOLDVGDU-UHOSZYNNSA-N 1 2 340.471 3.990 20 0 EHADLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000248400848 1124656738 /nfs/dbraw/zinc/65/67/38/1124656738.db2.gz QWVAESAGOXMUJC-RTBURBONSA-N 1 2 342.389 3.783 20 0 EHADLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000248400848 1124656741 /nfs/dbraw/zinc/65/67/41/1124656741.db2.gz QWVAESAGOXMUJC-RTBURBONSA-N 1 2 342.389 3.783 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248654091 1124685582 /nfs/dbraw/zinc/68/55/82/1124685582.db2.gz CGDHSPLWQJTBHX-GVDBMIGSSA-N 1 2 334.508 3.692 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000248853234 1124708378 /nfs/dbraw/zinc/70/83/78/1124708378.db2.gz QKRBBTKCNCYSTH-IMJJTQAJSA-N 1 2 334.485 3.574 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000248853234 1124708383 /nfs/dbraw/zinc/70/83/83/1124708383.db2.gz QKRBBTKCNCYSTH-IMJJTQAJSA-N 1 2 334.485 3.574 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000248885779 1124712096 /nfs/dbraw/zinc/71/20/96/1124712096.db2.gz HKDOJHBJEHPVTD-CMPLNLGQSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000248885779 1124712104 /nfs/dbraw/zinc/71/21/04/1124712104.db2.gz HKDOJHBJEHPVTD-CMPLNLGQSA-N 1 2 349.780 3.990 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000249267384 1124749390 /nfs/dbraw/zinc/74/93/90/1124749390.db2.gz IQBPIVVQEAMJDY-CJNGLKHVSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000249267384 1124749400 /nfs/dbraw/zinc/74/94/00/1124749400.db2.gz IQBPIVVQEAMJDY-CJNGLKHVSA-N 1 2 329.362 3.648 20 0 EHADLO Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000734976032 1131300998 /nfs/dbraw/zinc/30/09/98/1131300998.db2.gz CVOBXIODRFKAHJ-FMIVXFBMSA-N 1 2 339.420 3.593 20 0 EHADLO CCCCC[C@@H](CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000181455929 1124854060 /nfs/dbraw/zinc/85/40/60/1124854060.db2.gz QODNDXIGGNNUCW-MRXNPFEDSA-N 1 2 333.476 3.772 20 0 EHADLO C[C@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000618057570 1124944392 /nfs/dbraw/zinc/94/43/92/1124944392.db2.gz YPNWBVCBCDAVRH-RYGJVYDSSA-N 1 2 345.446 3.776 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000069678381 1125011082 /nfs/dbraw/zinc/01/10/82/1125011082.db2.gz IYDHUYINPRQXEE-UHFFFAOYSA-N 1 2 328.384 3.819 20 0 EHADLO CC1(C)C[N@H+](Cn2c(=S)snc2-c2ccccc2)CCCO1 ZINC000735298592 1131329034 /nfs/dbraw/zinc/32/90/34/1131329034.db2.gz YZGUROXXDBAGGB-UHFFFAOYSA-N 1 2 335.498 3.799 20 0 EHADLO CC1(C)C[N@@H+](Cn2c(=S)snc2-c2ccccc2)CCCO1 ZINC000735298592 1131329039 /nfs/dbraw/zinc/32/90/39/1131329039.db2.gz YZGUROXXDBAGGB-UHFFFAOYSA-N 1 2 335.498 3.799 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181933192 1125089096 /nfs/dbraw/zinc/08/90/96/1125089096.db2.gz GIRBGEZMJGOFQP-DGDHUYAWSA-N 1 2 349.478 3.699 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)n2c1 ZINC000093606535 1125274116 /nfs/dbraw/zinc/27/41/16/1125274116.db2.gz FTIZNPBMNQBUFI-BEFAXECRSA-N 1 2 339.414 3.744 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000619135480 1125293892 /nfs/dbraw/zinc/29/38/92/1125293892.db2.gz QQDRXNCVOWKRSV-NUJGCVRESA-N 1 2 325.456 3.969 20 0 EHADLO C[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@H](c2ccsc2)O1 ZINC000093768947 1125304579 /nfs/dbraw/zinc/30/45/79/1125304579.db2.gz RQSJHKIXNQSSLP-AUUYWEPGSA-N 1 2 327.449 3.986 20 0 EHADLO C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@H](c2ccsc2)O1 ZINC000093768947 1125304584 /nfs/dbraw/zinc/30/45/84/1125304584.db2.gz RQSJHKIXNQSSLP-AUUYWEPGSA-N 1 2 327.449 3.986 20 0 EHADLO Cc1nc(C)c(CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000254989939 1125359517 /nfs/dbraw/zinc/35/95/17/1125359517.db2.gz UMTYTWLUEIDPIW-TWGQIWQCSA-N 1 2 327.497 3.591 20 0 EHADLO CCSc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000152684892 1125368927 /nfs/dbraw/zinc/36/89/27/1125368927.db2.gz BSLHYHSISBORCY-UHFFFAOYSA-N 1 2 329.469 3.816 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495301 1131352833 /nfs/dbraw/zinc/35/28/33/1131352833.db2.gz UNWKZAQSHGVZEY-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495301 1131352839 /nfs/dbraw/zinc/35/28/39/1131352839.db2.gz UNWKZAQSHGVZEY-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000615335199 1125378223 /nfs/dbraw/zinc/37/82/23/1125378223.db2.gz PNUFOFGLMVXDJI-LSDHHAIUSA-N 1 2 346.421 3.671 20 0 EHADLO Cc1ncsc1C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000152874109 1125391223 /nfs/dbraw/zinc/39/12/23/1125391223.db2.gz SZJMENHLVSOONH-CQSZACIVSA-N 1 2 335.904 3.984 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)o1 ZINC000619737426 1125391547 /nfs/dbraw/zinc/39/15/47/1125391547.db2.gz PZHLFDXMUKTALV-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000619913676 1125431336 /nfs/dbraw/zinc/43/13/36/1125431336.db2.gz OIAFLKVLSPGAKK-YJBOKZPZSA-N 1 2 341.430 3.866 20 0 EHADLO Cc1ncc([C@@H](C)[N@@H+]2CCc3cccc(Br)c3C2)c(C)n1 ZINC000682072479 1129208210 /nfs/dbraw/zinc/20/82/10/1129208210.db2.gz NAHLQYLSKCVDQI-GFCCVEGCSA-N 1 2 346.272 3.975 20 0 EHADLO Cc1ncc([C@@H](C)[N@H+]2CCc3cccc(Br)c3C2)c(C)n1 ZINC000682072479 1129208213 /nfs/dbraw/zinc/20/82/13/1129208213.db2.gz NAHLQYLSKCVDQI-GFCCVEGCSA-N 1 2 346.272 3.975 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000066847481 1129216342 /nfs/dbraw/zinc/21/63/42/1129216342.db2.gz BJOUNPFRRIRYAF-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000066847481 1129216345 /nfs/dbraw/zinc/21/63/45/1129216345.db2.gz BJOUNPFRRIRYAF-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Cc1cccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1 ZINC000067008433 1129235025 /nfs/dbraw/zinc/23/50/25/1129235025.db2.gz JVOVXXVMAGBYBM-UHFFFAOYSA-N 1 2 347.509 3.778 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cc(-n4ccnc4)cs3)CCCCC2)no1 ZINC000543175563 1129310887 /nfs/dbraw/zinc/31/08/87/1129310887.db2.gz DXCZLMNPKDVJKG-UHFFFAOYSA-N 1 2 343.456 3.574 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 ZINC000657426785 1129314459 /nfs/dbraw/zinc/31/44/59/1129314459.db2.gz KYHRNMXEFOMBLB-AWEZNQCLSA-N 1 2 331.284 3.859 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc(F)cc1Cl ZINC000068524567 1129377802 /nfs/dbraw/zinc/37/78/02/1129377802.db2.gz JOCNJAQUBYYVGW-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(COc2ccc(F)cc2)c1 ZINC000359127550 1129444208 /nfs/dbraw/zinc/44/42/08/1129444208.db2.gz DUXGAEDMYXGANC-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(COc2ccc(F)cc2)c1 ZINC000359127550 1129444209 /nfs/dbraw/zinc/44/42/09/1129444209.db2.gz DUXGAEDMYXGANC-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000499769677 1129472367 /nfs/dbraw/zinc/47/23/67/1129472367.db2.gz BWWFQYXHKDEHSY-SJLPKXTDSA-N 1 2 333.428 3.765 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000499769677 1129472369 /nfs/dbraw/zinc/47/23/69/1129472369.db2.gz BWWFQYXHKDEHSY-SJLPKXTDSA-N 1 2 333.428 3.765 20 0 EHADLO CCc1cc(N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)nc(C)[nH+]1 ZINC000359734288 1129484110 /nfs/dbraw/zinc/48/41/10/1129484110.db2.gz VVLIIWYTLACQIV-IBGZPJMESA-N 1 2 341.455 3.542 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc[nH+]c1N ZINC000922472562 1129544966 /nfs/dbraw/zinc/54/49/66/1129544966.db2.gz NDGRSZCBECBWMB-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccccc2OC2CCCC2)n1 ZINC000922492054 1129553583 /nfs/dbraw/zinc/55/35/83/1129553583.db2.gz ZRWXDASJDYPGQV-UHFFFAOYSA-N 1 2 345.512 3.816 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000508967307 1129597842 /nfs/dbraw/zinc/59/78/42/1129597842.db2.gz QSGCGDUZEOEGRL-VMTBQTDASA-N 1 2 327.424 3.903 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000508967307 1129597846 /nfs/dbraw/zinc/59/78/46/1129597846.db2.gz QSGCGDUZEOEGRL-VMTBQTDASA-N 1 2 327.424 3.903 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922677377 1129624643 /nfs/dbraw/zinc/62/46/43/1129624643.db2.gz PZAQFPUAGKAKQE-CQSZACIVSA-N 1 2 328.412 3.690 20 0 EHADLO FC1(F)CCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000390846393 1129637898 /nfs/dbraw/zinc/63/78/98/1129637898.db2.gz GGZAITXOMRIFRS-LBPRGKRZSA-N 1 2 329.354 3.663 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000922775771 1129657504 /nfs/dbraw/zinc/65/75/04/1129657504.db2.gz LMWWYXWIQNJSQM-GXTWGEPZSA-N 1 2 334.778 3.693 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428977461 1129658046 /nfs/dbraw/zinc/65/80/46/1129658046.db2.gz NFPYRLJLWBFMON-DLBZAZTESA-N 1 2 346.519 3.966 20 0 EHADLO COc1cc([C@@H](C)Nc2cc3ccccc3c[nH+]2)ccc1OCCO ZINC000631067873 1129659517 /nfs/dbraw/zinc/65/95/17/1129659517.db2.gz ULGVSOUXEJZBOO-CQSZACIVSA-N 1 2 338.407 3.788 20 0 EHADLO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC=C(c3cccnc3)C2)n1 ZINC000347731352 1129661235 /nfs/dbraw/zinc/66/12/35/1129661235.db2.gz RYZLJJATXBHYKI-UHFFFAOYSA-N 1 2 330.435 3.616 20 0 EHADLO c1cn(Cc2ccccc2)c(C[N@H+]2CCC=C(c3cccnc3)C2)n1 ZINC000347731352 1129661237 /nfs/dbraw/zinc/66/12/37/1129661237.db2.gz RYZLJJATXBHYKI-UHFFFAOYSA-N 1 2 330.435 3.616 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c(C)c1 ZINC000347738961 1129673843 /nfs/dbraw/zinc/67/38/43/1129673843.db2.gz XEQBRLBEQQHPFP-UHFFFAOYSA-N 1 2 335.451 3.735 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c(C)c1 ZINC000347738961 1129673846 /nfs/dbraw/zinc/67/38/46/1129673846.db2.gz XEQBRLBEQQHPFP-UHFFFAOYSA-N 1 2 335.451 3.735 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000428994691 1129680371 /nfs/dbraw/zinc/68/03/71/1129680371.db2.gz PMBNSLWBKCCXOH-IRXDYDNUSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282392965 1129686424 /nfs/dbraw/zinc/68/64/24/1129686424.db2.gz ROEBHUDRLJFVIZ-KRWDZBQOSA-N 1 2 337.467 3.856 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760471 1129696053 /nfs/dbraw/zinc/69/60/53/1129696053.db2.gz UDYWJYADOWQEOZ-MRXNPFEDSA-N 1 2 329.362 3.838 20 0 EHADLO CCC(=O)CCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760471 1129696054 /nfs/dbraw/zinc/69/60/54/1129696054.db2.gz UDYWJYADOWQEOZ-MRXNPFEDSA-N 1 2 329.362 3.838 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)c2c[nH]c3ccc(F)cc23)on1 ZINC000625084994 1129727712 /nfs/dbraw/zinc/72/77/12/1129727712.db2.gz INDQKIJGLQJRNO-INIZCTEOSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)c2c[nH]c3ccc(F)cc23)on1 ZINC000625084994 1129727715 /nfs/dbraw/zinc/72/77/15/1129727715.db2.gz INDQKIJGLQJRNO-INIZCTEOSA-N 1 2 327.359 3.623 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@@H+](CCOC1CCOCC1)CC2 ZINC000625219008 1129767723 /nfs/dbraw/zinc/76/77/23/1129767723.db2.gz AUOVKGBWNRBXOA-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@H+](CCOC1CCOCC1)CC2 ZINC000625219008 1129767724 /nfs/dbraw/zinc/76/77/24/1129767724.db2.gz AUOVKGBWNRBXOA-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)C(F)(F)F ZINC000625238619 1129776592 /nfs/dbraw/zinc/77/65/92/1129776592.db2.gz ZIWDFCOPSZDIJI-OLZOCXBDSA-N 1 2 346.368 3.619 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625239593 1129778285 /nfs/dbraw/zinc/77/82/85/1129778285.db2.gz GCCLHFPPNNUJDD-HNNXBMFYSA-N 1 2 338.238 3.596 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2ccncc2Br)c1 ZINC000625260988 1129787458 /nfs/dbraw/zinc/78/74/58/1129787458.db2.gz GAEVQSAHECENMS-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2ccncc2Br)c1 ZINC000625260988 1129787461 /nfs/dbraw/zinc/78/74/61/1129787461.db2.gz GAEVQSAHECENMS-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO CC(C)(C)CNC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000625367821 1129846655 /nfs/dbraw/zinc/84/66/55/1129846655.db2.gz MPGOHRYZMXVQJZ-UHFFFAOYSA-N 1 2 330.394 3.603 20 0 EHADLO CC(C)(C)CNC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000625367821 1129846663 /nfs/dbraw/zinc/84/66/63/1129846663.db2.gz MPGOHRYZMXVQJZ-UHFFFAOYSA-N 1 2 330.394 3.603 20 0 EHADLO COc1ccc2nc(NCCc3cn4cccc(C)c4[nH+]3)ccc2c1 ZINC000673817369 1129863054 /nfs/dbraw/zinc/86/30/54/1129863054.db2.gz RQBKGPNIAIVLIK-UHFFFAOYSA-N 1 2 332.407 3.854 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cn1 ZINC000543504689 1129907916 /nfs/dbraw/zinc/90/79/16/1129907916.db2.gz YWLPXGHUGVNBQU-AWEZNQCLSA-N 1 2 341.484 3.937 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)C1 ZINC000455735933 1129914017 /nfs/dbraw/zinc/91/40/17/1129914017.db2.gz SUHRGPZLFDSHHS-KRWDZBQOSA-N 1 2 338.455 3.710 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ccc(O)c(Cl)c1)c1cccc(Cl)c1 ZINC000509180118 1129922494 /nfs/dbraw/zinc/92/24/94/1129922494.db2.gz DMLAMQLLPJJUPX-OAHLLOKOSA-N 1 2 339.222 3.940 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466567075 1129927557 /nfs/dbraw/zinc/92/75/57/1129927557.db2.gz NIEKOYWXLOYWPP-LJQANCHMSA-N 1 2 340.471 3.983 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(C)c1OC ZINC000347873421 1129953194 /nfs/dbraw/zinc/95/31/94/1129953194.db2.gz VIPOOQMFGFAJHO-GOSISDBHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c(C)c1OC ZINC000347873421 1129953197 /nfs/dbraw/zinc/95/31/97/1129953197.db2.gz VIPOOQMFGFAJHO-GOSISDBHSA-N 1 2 327.424 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009273 1129956640 /nfs/dbraw/zinc/95/66/40/1129956640.db2.gz GHSUJLOWJFUGKX-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009273 1129956641 /nfs/dbraw/zinc/95/66/41/1129956641.db2.gz GHSUJLOWJFUGKX-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO CC[N@H+](CC(=O)NCc1cscc1C)Cc1ccccc1Cl ZINC000509200751 1129963770 /nfs/dbraw/zinc/96/37/70/1129963770.db2.gz RZTKXNLQTAATLY-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cscc1C)Cc1ccccc1Cl ZINC000509200751 1129963773 /nfs/dbraw/zinc/96/37/73/1129963773.db2.gz RZTKXNLQTAATLY-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@]1(C)CCCc2ccccc21 ZINC000509212891 1129981487 /nfs/dbraw/zinc/98/14/87/1129981487.db2.gz RYEJFAPZAPICMN-RADWXHQJSA-N 1 2 349.478 3.522 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000059334337 1129982670 /nfs/dbraw/zinc/98/26/70/1129982670.db2.gz MKYVPDYVTMJKOM-JTQLQIEISA-N 1 2 334.769 3.544 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000059334337 1129982675 /nfs/dbraw/zinc/98/26/75/1129982675.db2.gz MKYVPDYVTMJKOM-JTQLQIEISA-N 1 2 334.769 3.544 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2ccccc2F)c1C ZINC000170998393 1129994944 /nfs/dbraw/zinc/99/49/44/1129994944.db2.gz KIAKONPABWSALW-ZDUSSCGKSA-N 1 2 330.403 3.608 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000674238496 1130035146 /nfs/dbraw/zinc/03/51/46/1130035146.db2.gz IKOOMWFNLLLHRG-MRXNPFEDSA-N 1 2 338.451 3.610 20 0 EHADLO Cc1cc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000674410564 1130086849 /nfs/dbraw/zinc/08/68/49/1130086849.db2.gz IWBVTNNETPMSBJ-NXEZZACHSA-N 1 2 339.283 3.839 20 0 EHADLO O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc2[nH+]ccn2c1 ZINC000674569055 1130134599 /nfs/dbraw/zinc/13/45/99/1130134599.db2.gz RDMNDABZQCNHMS-NWDGAFQWSA-N 1 2 340.349 3.825 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000674663777 1130167001 /nfs/dbraw/zinc/16/70/01/1130167001.db2.gz DNPUIVLFWQBYJT-UHFFFAOYSA-N 1 2 325.334 3.797 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869683 1130212402 /nfs/dbraw/zinc/21/24/02/1130212402.db2.gz ZDOMPLKVHZSQQL-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869683 1130212408 /nfs/dbraw/zinc/21/24/08/1130212408.db2.gz ZDOMPLKVHZSQQL-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO Fc1ccc(-c2csc(N3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000674933520 1130229257 /nfs/dbraw/zinc/22/92/57/1130229257.db2.gz ZHDSDSWXILXDLI-HNNXBMFYSA-N 1 2 328.416 3.987 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000766086883 1130237034 /nfs/dbraw/zinc/23/70/34/1130237034.db2.gz DMDLDCMZWULJRZ-LBPRGKRZSA-N 1 2 346.406 3.732 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000766086883 1130237039 /nfs/dbraw/zinc/23/70/39/1130237039.db2.gz DMDLDCMZWULJRZ-LBPRGKRZSA-N 1 2 346.406 3.732 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000675092934 1130252656 /nfs/dbraw/zinc/25/26/56/1130252656.db2.gz ZKHLGQJSIXYGIT-UHFFFAOYSA-N 1 2 346.434 3.880 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3COc4c3cccc4Cl)ccc2[nH+]1 ZINC000675141086 1130265425 /nfs/dbraw/zinc/26/54/25/1130265425.db2.gz JEGFSBQNUAFQSS-CQSZACIVSA-N 1 2 342.786 3.551 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)nc12 ZINC000675185953 1130277062 /nfs/dbraw/zinc/27/70/62/1130277062.db2.gz ZOFYSHVZIMSHOB-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1cccn2cc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)nc12 ZINC000675185953 1130277070 /nfs/dbraw/zinc/27/70/70/1130277070.db2.gz ZOFYSHVZIMSHOB-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)nc12 ZINC000675185952 1130277139 /nfs/dbraw/zinc/27/71/39/1130277139.db2.gz ZOFYSHVZIMSHOB-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1cccn2cc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)nc12 ZINC000675185952 1130277142 /nfs/dbraw/zinc/27/71/42/1130277142.db2.gz ZOFYSHVZIMSHOB-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)c2nnc[nH]2)C12CCC2 ZINC000658254753 1130318929 /nfs/dbraw/zinc/31/89/29/1130318929.db2.gz QKYVIUIGAIMSKU-ZNMIVQPWSA-N 1 2 346.500 3.672 20 0 EHADLO CC(C)O[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1(C)C ZINC000766114951 1130330140 /nfs/dbraw/zinc/33/01/40/1130330140.db2.gz ZDDBMPNGRPDMPK-UONOGXRCSA-N 1 2 331.464 3.585 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2cccc(Cl)c2)CCC1 ZINC000675573382 1130427857 /nfs/dbraw/zinc/42/78/57/1130427857.db2.gz NGECHEGTMKQNGE-UHFFFAOYSA-N 1 2 339.826 3.726 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)ccc1F ZINC000675622952 1130432443 /nfs/dbraw/zinc/43/24/43/1130432443.db2.gz YCJQUXWCBGQJTF-HNNXBMFYSA-N 1 2 333.432 3.680 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)ccc1F ZINC000675622952 1130432445 /nfs/dbraw/zinc/43/24/45/1130432445.db2.gz YCJQUXWCBGQJTF-HNNXBMFYSA-N 1 2 333.432 3.680 20 0 EHADLO c1csc(-c2cc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)no2)c1 ZINC000675975957 1130514457 /nfs/dbraw/zinc/51/44/57/1130514457.db2.gz DIJNMXNNTHTUMC-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000676130825 1130533867 /nfs/dbraw/zinc/53/38/67/1130533867.db2.gz BTJXROPNSNUHOQ-UHFFFAOYSA-N 1 2 344.459 3.752 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676126356 1130536312 /nfs/dbraw/zinc/53/63/12/1130536312.db2.gz PZKRWOAFBABKCR-ZDUSSCGKSA-N 1 2 327.457 3.534 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676126356 1130536318 /nfs/dbraw/zinc/53/63/18/1130536318.db2.gz PZKRWOAFBABKCR-ZDUSSCGKSA-N 1 2 327.457 3.534 20 0 EHADLO C/C(=C\C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000727862568 1130603375 /nfs/dbraw/zinc/60/33/75/1130603375.db2.gz STSYFGMCITUVFI-GWKQRERASA-N 1 2 329.419 3.657 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728043136 1130620974 /nfs/dbraw/zinc/62/09/74/1130620974.db2.gz FFPXPULNEIGPLG-ZBFHGGJFSA-N 1 2 343.496 3.614 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728043136 1130620976 /nfs/dbraw/zinc/62/09/76/1130620976.db2.gz FFPXPULNEIGPLG-ZBFHGGJFSA-N 1 2 343.496 3.614 20 0 EHADLO COc1ccncc1C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000287950476 1130632094 /nfs/dbraw/zinc/63/20/94/1130632094.db2.gz YACZMQLVLSPZFN-LLVKDONJSA-N 1 2 332.354 3.686 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000290140864 1130635752 /nfs/dbraw/zinc/63/57/52/1130635752.db2.gz GBYZXGABERSIHC-UHFFFAOYSA-N 1 2 342.443 3.591 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000291108149 1130637160 /nfs/dbraw/zinc/63/71/60/1130637160.db2.gz CHRVHCLEGGMIGH-INIZCTEOSA-N 1 2 338.238 3.917 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000291108149 1130637164 /nfs/dbraw/zinc/63/71/64/1130637164.db2.gz CHRVHCLEGGMIGH-INIZCTEOSA-N 1 2 338.238 3.917 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1cn2cc(Cl)ccc2n1 ZINC000729987648 1130663170 /nfs/dbraw/zinc/66/31/70/1130663170.db2.gz PIQGXBKVNWBYIW-UHFFFAOYSA-N 1 2 349.221 3.882 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000730098906 1130674306 /nfs/dbraw/zinc/67/43/06/1130674306.db2.gz VPBXJWQVABAGOJ-UHFFFAOYSA-N 1 2 342.786 3.745 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCc3ccc(C)cc32)c1C ZINC000730126154 1130674710 /nfs/dbraw/zinc/67/47/10/1130674710.db2.gz SOHQPCJOZDHNSK-QGZVFWFLSA-N 1 2 339.439 3.502 20 0 EHADLO CC(C)c1ccccc1-n1ccn(C[N@H+](C)[C@@H]2CCOC2)c1=S ZINC000730260395 1130692282 /nfs/dbraw/zinc/69/22/82/1130692282.db2.gz PXGWICMIYJZGTC-OAHLLOKOSA-N 1 2 331.485 3.810 20 0 EHADLO CC(C)c1ccccc1-n1ccn(C[N@@H+](C)[C@@H]2CCOC2)c1=S ZINC000730260395 1130692285 /nfs/dbraw/zinc/69/22/85/1130692285.db2.gz PXGWICMIYJZGTC-OAHLLOKOSA-N 1 2 331.485 3.810 20 0 EHADLO CC[C@@](C)(NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000730903387 1130747945 /nfs/dbraw/zinc/74/79/45/1130747945.db2.gz XKQIAIXBTRSACX-LJQANCHMSA-N 1 2 326.444 3.508 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000731657572 1130824326 /nfs/dbraw/zinc/82/43/26/1130824326.db2.gz KQVSOZAGCKZNME-UHFFFAOYSA-N 1 2 332.451 3.638 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000732054256 1130881140 /nfs/dbraw/zinc/88/11/40/1130881140.db2.gz OXCMAOITXBSKRX-RVDMUPIBSA-N 1 2 344.455 3.635 20 0 EHADLO O=C(C=C1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732137244 1130890024 /nfs/dbraw/zinc/89/00/24/1130890024.db2.gz GPSSGQOHJCNVCY-MRXNPFEDSA-N 1 2 348.437 3.936 20 0 EHADLO O=C(C=C1CCCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732137244 1130890029 /nfs/dbraw/zinc/89/00/29/1130890029.db2.gz GPSSGQOHJCNVCY-MRXNPFEDSA-N 1 2 348.437 3.936 20 0 EHADLO C[N@H+](CCc1ccccc1F)CC(=O)Nc1nc2ccccc2s1 ZINC000732204488 1130899773 /nfs/dbraw/zinc/89/97/73/1130899773.db2.gz LHBHGFMTPYCUQZ-UHFFFAOYSA-N 1 2 343.427 3.548 20 0 EHADLO C[N@@H+](CCc1ccccc1F)CC(=O)Nc1nc2ccccc2s1 ZINC000732204488 1130899778 /nfs/dbraw/zinc/89/97/78/1130899778.db2.gz LHBHGFMTPYCUQZ-UHFFFAOYSA-N 1 2 343.427 3.548 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732227911 1130902218 /nfs/dbraw/zinc/90/22/18/1130902218.db2.gz HNODWYZFOWUANM-QGZVFWFLSA-N 1 2 343.858 3.932 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000732734649 1130950387 /nfs/dbraw/zinc/95/03/87/1130950387.db2.gz AJXDMTWMFFTOCT-QGZVFWFLSA-N 1 2 326.440 3.592 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000732984821 1130978569 /nfs/dbraw/zinc/97/85/69/1130978569.db2.gz BUVWVSNAJOGMRR-SFHVURJKSA-N 1 2 336.426 3.798 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000732984821 1130978574 /nfs/dbraw/zinc/97/85/74/1130978574.db2.gz BUVWVSNAJOGMRR-SFHVURJKSA-N 1 2 336.426 3.798 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cn2cc(Br)cn2)C1 ZINC000733298286 1131017517 /nfs/dbraw/zinc/01/75/17/1131017517.db2.gz FLFREJQWBNIDOI-INIZCTEOSA-N 1 2 334.261 3.657 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2cc(Br)cn2)C1 ZINC000733298286 1131017521 /nfs/dbraw/zinc/01/75/21/1131017521.db2.gz FLFREJQWBNIDOI-INIZCTEOSA-N 1 2 334.261 3.657 20 0 EHADLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1cccc(F)c1 ZINC000733307753 1131019582 /nfs/dbraw/zinc/01/95/82/1131019582.db2.gz UGJYEQZEAIDTAN-NSHDSACASA-N 1 2 349.793 3.547 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2cc(C)on2)ccc1OCC(F)(F)F ZINC000282687665 1131140461 /nfs/dbraw/zinc/14/04/61/1131140461.db2.gz NXSFGFCPFLMGHI-NSHDSACASA-N 1 2 344.333 3.784 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000626092783 1131153340 /nfs/dbraw/zinc/15/33/40/1131153340.db2.gz FRTYFASUAAXNNY-CXAGYDPISA-N 1 2 349.837 3.718 20 0 EHADLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001273300781 1131161484 /nfs/dbraw/zinc/16/14/84/1131161484.db2.gz GLHXHVOSXFAKTI-IYBDPMFKSA-N 1 2 347.528 3.597 20 0 EHADLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001273300781 1131161488 /nfs/dbraw/zinc/16/14/88/1131161488.db2.gz GLHXHVOSXFAKTI-IYBDPMFKSA-N 1 2 347.528 3.597 20 0 EHADLO Cn1c(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1-c1ccc(F)cc1 ZINC000733969592 1131177568 /nfs/dbraw/zinc/17/75/68/1131177568.db2.gz NLDSIEOZOAHMDG-UHFFFAOYSA-N 1 2 334.354 3.731 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000733968905 1131177808 /nfs/dbraw/zinc/17/78/08/1131177808.db2.gz YIXVTFFKDOTLGM-IBGZPJMESA-N 1 2 335.407 3.973 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1nc2c(s1)CCCC2 ZINC000736355186 1131418306 /nfs/dbraw/zinc/41/83/06/1131418306.db2.gz GXZZPELYTVYZRU-LBPRGKRZSA-N 1 2 330.453 3.644 20 0 EHADLO CCO[C@H](C)c1nc(CO[NH+]=C(N)Cc2cccs2)cs1 ZINC000736609590 1131429497 /nfs/dbraw/zinc/42/94/97/1131429497.db2.gz AAYVZBBVAVCNFJ-SNVBAGLBSA-N 1 2 325.459 3.543 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282808 1131465373 /nfs/dbraw/zinc/46/53/73/1131465373.db2.gz BSOZDQHQGBMNRN-UZLBHIALSA-N 1 2 348.446 3.955 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282808 1131465376 /nfs/dbraw/zinc/46/53/76/1131465376.db2.gz BSOZDQHQGBMNRN-UZLBHIALSA-N 1 2 348.446 3.955 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)[nH]n1 ZINC000738430762 1131469874 /nfs/dbraw/zinc/46/98/74/1131469874.db2.gz KPLZPUYMFGRRGO-UHFFFAOYSA-N 1 2 343.862 3.970 20 0 EHADLO Cc1ccc(C2=CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000738949275 1131490582 /nfs/dbraw/zinc/49/05/82/1131490582.db2.gz LLBIHUVIPHJBRL-UHFFFAOYSA-N 1 2 332.407 3.964 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000738991827 1131491163 /nfs/dbraw/zinc/49/11/63/1131491163.db2.gz BBSXUTIASNXMMM-GUYCJALGSA-N 1 2 333.476 3.817 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000740861497 1131549982 /nfs/dbraw/zinc/54/99/82/1131549982.db2.gz WWWURKJESJDKQO-QWHCGFSZSA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000740861497 1131549986 /nfs/dbraw/zinc/54/99/86/1131549986.db2.gz WWWURKJESJDKQO-QWHCGFSZSA-N 1 2 332.473 3.621 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cccc2cccnc21)c1ccccc1 ZINC000741150520 1131583841 /nfs/dbraw/zinc/58/38/41/1131583841.db2.gz HRTQGUKIBLMSKB-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc2cccnc21)c1ccccc1 ZINC000741150520 1131583845 /nfs/dbraw/zinc/58/38/45/1131583845.db2.gz HRTQGUKIBLMSKB-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149095 1131583861 /nfs/dbraw/zinc/58/38/61/1131583861.db2.gz NIPIWAQWUAGYNL-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149095 1131583864 /nfs/dbraw/zinc/58/38/64/1131583864.db2.gz NIPIWAQWUAGYNL-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777930 1131645945 /nfs/dbraw/zinc/64/59/45/1131645945.db2.gz FSDNVSIWETWOIB-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777930 1131645947 /nfs/dbraw/zinc/64/59/47/1131645947.db2.gz FSDNVSIWETWOIB-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCSc2ccccc21 ZINC000741911815 1131667387 /nfs/dbraw/zinc/66/73/87/1131667387.db2.gz KRXSVCPZRMAKTP-GOSISDBHSA-N 1 2 349.459 3.768 20 0 EHADLO CCOc1ccc(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001212574678 1131691120 /nfs/dbraw/zinc/69/11/20/1131691120.db2.gz RHNNNHZSCJRAHR-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(N(C)C)sc2=S)CC[C@@H]1c1ccccc1 ZINC000742164388 1131691873 /nfs/dbraw/zinc/69/18/73/1131691873.db2.gz HHUUENMBTCFPRT-HIFRSBDPSA-N 1 2 348.541 3.823 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(N(C)C)sc2=S)CC[C@@H]1c1ccccc1 ZINC000742164388 1131691876 /nfs/dbraw/zinc/69/18/76/1131691876.db2.gz HHUUENMBTCFPRT-HIFRSBDPSA-N 1 2 348.541 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C[C@H]2C)C1 ZINC000742159536 1131695295 /nfs/dbraw/zinc/69/52/95/1131695295.db2.gz QRWDNPRVCCFYFS-HUUCEWRRSA-N 1 2 342.508 3.829 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C[C@H]2C)C1 ZINC000742159536 1131695299 /nfs/dbraw/zinc/69/52/99/1131695299.db2.gz QRWDNPRVCCFYFS-HUUCEWRRSA-N 1 2 342.508 3.829 20 0 EHADLO CCCCC[C@H](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000742490910 1131736801 /nfs/dbraw/zinc/73/68/01/1131736801.db2.gz GNVMANGFZKRXRS-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCC[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000742490910 1131736808 /nfs/dbraw/zinc/73/68/08/1131736808.db2.gz GNVMANGFZKRXRS-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO Cc1cccc2sc(Nc3ccc(C[NH+]4CC(O)C4)cc3)nc21 ZINC001212664646 1131755048 /nfs/dbraw/zinc/75/50/48/1131755048.db2.gz XPIKFHSOWNVASX-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668440 1131767075 /nfs/dbraw/zinc/76/70/75/1131767075.db2.gz YPIOINZYQXSPDR-UHFFFAOYSA-N 1 2 336.357 3.934 20 0 EHADLO CSCC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC(C)C ZINC001172555114 1131768266 /nfs/dbraw/zinc/76/82/66/1131768266.db2.gz GHNHKFQVOMPUIR-SQNIBIBYSA-N 1 2 335.513 3.986 20 0 EHADLO Nc1ccc(-c2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2)cc1 ZINC001212669244 1131770579 /nfs/dbraw/zinc/77/05/79/1131770579.db2.gz ODMIUUCOFNGJEN-UHFFFAOYSA-N 1 2 345.446 3.856 20 0 EHADLO CCCc1nc2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2o1 ZINC001212669214 1131770725 /nfs/dbraw/zinc/77/07/25/1131770725.db2.gz MQJHVUCCWLGSNG-UHFFFAOYSA-N 1 2 337.423 3.700 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3c(Cl)ccc4cccnc43)cc2)C1 ZINC001212670124 1131779583 /nfs/dbraw/zinc/77/95/83/1131779583.db2.gz IEAMGCZZHZQKCJ-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4c(ccnc4Cl)c3)cc2)C1 ZINC001212671443 1131794462 /nfs/dbraw/zinc/79/44/62/1131794462.db2.gz NFSCCLYPEXLKRH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000742858698 1131808114 /nfs/dbraw/zinc/80/81/14/1131808114.db2.gz VZLSDXARDUWWNX-WBVHZDCISA-N 1 2 337.423 3.525 20 0 EHADLO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(F)F)CCN1C(=O)OC(C)(C)C ZINC001172624396 1131809081 /nfs/dbraw/zinc/80/90/81/1131809081.db2.gz XCDSZQWYJIKYFO-BFHYXJOUSA-N 1 2 332.435 3.942 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001172722674 1131823004 /nfs/dbraw/zinc/82/30/04/1131823004.db2.gz ZKZZLDGHCNZNMY-QUCCMNQESA-N 1 2 343.854 3.587 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001172722674 1131823011 /nfs/dbraw/zinc/82/30/11/1131823011.db2.gz ZKZZLDGHCNZNMY-QUCCMNQESA-N 1 2 343.854 3.587 20 0 EHADLO Cc1ccc2c(c1)C[C@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)CC2 ZINC001172837522 1131859256 /nfs/dbraw/zinc/85/92/56/1131859256.db2.gz GTKFOFKLYFWRFU-RTBURBONSA-N 1 2 334.454 3.658 20 0 EHADLO CCOC(=O)C1([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CCCC1 ZINC001172853827 1131872742 /nfs/dbraw/zinc/87/27/42/1131872742.db2.gz CDUIMVNYRKONRO-GFCCVEGCSA-N 1 2 327.827 3.876 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ncc(C(C)(C)C)s2)c1C ZINC000743220563 1131877741 /nfs/dbraw/zinc/87/77/41/1131877741.db2.gz YMCHNRKCLNAIJB-UHFFFAOYSA-N 1 2 348.472 3.783 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+](C)CCC1CCCCC1)c2=O ZINC000743358869 1131900948 /nfs/dbraw/zinc/90/09/48/1131900948.db2.gz GFLFDSOMHJMQLC-UHFFFAOYSA-N 1 2 333.501 3.935 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+](C)CCC1CCCCC1)c2=O ZINC000743358869 1131900954 /nfs/dbraw/zinc/90/09/54/1131900954.db2.gz GFLFDSOMHJMQLC-UHFFFAOYSA-N 1 2 333.501 3.935 20 0 EHADLO C[C@H]1C[NH+](Cn2ccn(Cc3ccccc3)c2=S)C[C@H](C)S1 ZINC000743374562 1131902644 /nfs/dbraw/zinc/90/26/44/1131902644.db2.gz HWJBXONHPJJLGQ-GJZGRUSLSA-N 1 2 333.526 3.851 20 0 EHADLO Oc1ccc(Br)nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692496 1131903215 /nfs/dbraw/zinc/90/32/15/1131903215.db2.gz XFEDKFOGZMCAQU-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO Fc1cc(Br)cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693463 1131906172 /nfs/dbraw/zinc/90/61/72/1131906172.db2.gz YBKIRXPRVFZJKY-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000743386166 1131907517 /nfs/dbraw/zinc/90/75/17/1131907517.db2.gz CYQGCHNEBWUZNF-CQSZACIVSA-N 1 2 346.780 3.845 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[NH+]1CCC(C2CCCC2)CC1 ZINC000743375923 1131913526 /nfs/dbraw/zinc/91/35/26/1131913526.db2.gz COKVJJYDWKWIID-UHFFFAOYSA-N 1 2 343.496 3.832 20 0 EHADLO COCCOc1cccc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699201 1131933457 /nfs/dbraw/zinc/93/34/57/1131933457.db2.gz SWOYUPKDMUAPII-UHFFFAOYSA-N 1 2 341.386 3.839 20 0 EHADLO C[C@@H]1Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2N(C)C1=O ZINC001212699789 1131934579 /nfs/dbraw/zinc/93/45/79/1131934579.db2.gz DNSVFPHBNZFDFX-OAHLLOKOSA-N 1 2 346.434 3.830 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)cn1 ZINC001212696873 1131935722 /nfs/dbraw/zinc/93/57/22/1131935722.db2.gz RDXNZGYZYMSMRW-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO COCCOc1ccc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696916 1131935755 /nfs/dbraw/zinc/93/57/55/1131935755.db2.gz UWYASOFSJODEMP-UHFFFAOYSA-N 1 2 341.386 3.839 20 0 EHADLO COC(=O)c1nc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2o1 ZINC001212700129 1131935849 /nfs/dbraw/zinc/93/58/49/1131935849.db2.gz VCQBLVOFADUMIJ-UHFFFAOYSA-N 1 2 348.362 3.603 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001212701124 1131939540 /nfs/dbraw/zinc/93/95/40/1131939540.db2.gz WIJHSGXBMPYWBT-UHFFFAOYSA-N 1 2 328.391 3.913 20 0 EHADLO FC1(F)C[N@@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1N1CCCC1 ZINC001173048972 1131942814 /nfs/dbraw/zinc/94/28/14/1131942814.db2.gz GWKFEKRNJXCSEG-KRWDZBQOSA-N 1 2 342.474 3.531 20 0 EHADLO FC1(F)C[N@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1N1CCCC1 ZINC001173048972 1131942822 /nfs/dbraw/zinc/94/28/22/1131942822.db2.gz GWKFEKRNJXCSEG-KRWDZBQOSA-N 1 2 342.474 3.531 20 0 EHADLO FC1(F)CN(C2CCC3(CCOCC3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001173048972 1131942826 /nfs/dbraw/zinc/94/28/26/1131942826.db2.gz GWKFEKRNJXCSEG-KRWDZBQOSA-N 1 2 342.474 3.531 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3cccc(Cl)n3)CC2)c1 ZINC000743837353 1131983028 /nfs/dbraw/zinc/98/30/28/1131983028.db2.gz ALWDRKMUCVPNIF-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1SC(F)(F)F ZINC000743839309 1131983327 /nfs/dbraw/zinc/98/33/27/1131983327.db2.gz CLBWBVLJKIYNNM-QWRGUYRKSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1SC(F)(F)F ZINC000743839309 1131983334 /nfs/dbraw/zinc/98/33/34/1131983334.db2.gz CLBWBVLJKIYNNM-QWRGUYRKSA-N 1 2 335.391 3.916 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000743850323 1131984181 /nfs/dbraw/zinc/98/41/81/1131984181.db2.gz JHKJLUSYDKZHLA-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000743850323 1131984185 /nfs/dbraw/zinc/98/41/85/1131984185.db2.gz JHKJLUSYDKZHLA-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2c(F)cccc2F)[C@H](C)CO1 ZINC000743852872 1131986200 /nfs/dbraw/zinc/98/62/00/1131986200.db2.gz VYIYZEOYPPRRIF-CCKFTAQKSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2c(F)cccc2F)[C@H](C)CO1 ZINC000743852872 1131986207 /nfs/dbraw/zinc/98/62/07/1131986207.db2.gz VYIYZEOYPPRRIF-CCKFTAQKSA-N 1 2 347.405 3.769 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cn4cc(C)ccc4n3)CC2)cc1 ZINC000743867814 1131993630 /nfs/dbraw/zinc/99/36/30/1131993630.db2.gz PIRNPRLNZLFEKA-UHFFFAOYSA-N 1 2 334.467 3.527 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)C1 ZINC001173280423 1132040733 /nfs/dbraw/zinc/04/07/33/1132040733.db2.gz OUQLEASAHPYABS-BRWVUGGUSA-N 1 2 340.471 3.812 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)C1 ZINC001173280423 1132040737 /nfs/dbraw/zinc/04/07/37/1132040737.db2.gz OUQLEASAHPYABS-BRWVUGGUSA-N 1 2 340.471 3.812 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173342688 1132055251 /nfs/dbraw/zinc/05/52/51/1132055251.db2.gz DHDQEIWGAALJKE-OALUTQOASA-N 1 2 344.499 3.957 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC[N@@H+]1C ZINC000742193306 1132093132 /nfs/dbraw/zinc/09/31/32/1132093132.db2.gz AQSCIPJCRHUANV-ZFWWWQNUSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC[N@H+]1C ZINC000742193306 1132093134 /nfs/dbraw/zinc/09/31/34/1132093134.db2.gz AQSCIPJCRHUANV-ZFWWWQNUSA-N 1 2 334.529 3.675 20 0 EHADLO CSc1ccc([N@@H+]2C=CC(=NC(=O)OC(C)(C)C)C(N)=C2)cc1 ZINC001173814516 1132144477 /nfs/dbraw/zinc/14/44/77/1132144477.db2.gz RYBDLFQMYXOCCZ-UHFFFAOYSA-N 1 2 331.441 3.617 20 0 EHADLO CSc1ccc([N@H+]2C=CC(=NC(=O)OC(C)(C)C)C(N)=C2)cc1 ZINC001173814516 1132144482 /nfs/dbraw/zinc/14/44/82/1132144482.db2.gz RYBDLFQMYXOCCZ-UHFFFAOYSA-N 1 2 331.441 3.617 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 ZINC000745097474 1132193957 /nfs/dbraw/zinc/19/39/57/1132193957.db2.gz DGRXRWZEXRXKRX-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 ZINC000745097474 1132193963 /nfs/dbraw/zinc/19/39/63/1132193963.db2.gz DGRXRWZEXRXKRX-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000745098038 1132194060 /nfs/dbraw/zinc/19/40/60/1132194060.db2.gz QHNYOUNYAHMPIK-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000745098038 1132194061 /nfs/dbraw/zinc/19/40/61/1132194061.db2.gz QHNYOUNYAHMPIK-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CCOC(=O)CCCc1[nH+]c2cc(NC3=CCCC3)ccc2n1C ZINC001173999283 1132199000 /nfs/dbraw/zinc/19/90/00/1132199000.db2.gz JFBJYLNZUFYNLZ-UHFFFAOYSA-N 1 2 327.428 3.939 20 0 EHADLO CC(C)CNC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174078493 1132238014 /nfs/dbraw/zinc/23/80/14/1132238014.db2.gz SHANCTUXZQEDTM-UHFFFAOYSA-N 1 2 338.455 3.811 20 0 EHADLO COc1cc(Nc2ccc(C(=O)NCc3ccco3)cc2)cc(C)[nH+]1 ZINC001174154721 1132257397 /nfs/dbraw/zinc/25/73/97/1132257397.db2.gz BYGLVPUBODYKSD-UHFFFAOYSA-N 1 2 337.379 3.665 20 0 EHADLO CC1CCN(C(=O)c2ccc(Nc3cccc4[nH+]ccn43)cc2)CC1 ZINC001174158227 1132259861 /nfs/dbraw/zinc/25/98/61/1132259861.db2.gz BYDAXTGUPTUKMG-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO CCN(CC)C(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001174164979 1132262429 /nfs/dbraw/zinc/26/24/29/1132262429.db2.gz GOQFSFXSBKLUMX-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CCCCNC(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001174190578 1132274935 /nfs/dbraw/zinc/27/49/35/1132274935.db2.gz WWOJZISJAPPPSV-UHFFFAOYSA-N 1 2 338.455 3.955 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000745786960 1132316758 /nfs/dbraw/zinc/31/67/58/1132316758.db2.gz OBXTXXPCPIMBOW-LJQANCHMSA-N 1 2 333.476 3.819 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745787015 1132316910 /nfs/dbraw/zinc/31/69/10/1132316910.db2.gz PVPYTPLHNRQOEG-GUYCJALGSA-N 1 2 333.476 3.817 20 0 EHADLO COC(=O)c1ccc(O)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174385290 1132344354 /nfs/dbraw/zinc/34/43/54/1132344354.db2.gz NPZHDRBYRKWOEA-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(F)c1 ZINC001174384585 1132345406 /nfs/dbraw/zinc/34/54/06/1132345406.db2.gz IOWAONUMZXAVQV-UHFFFAOYSA-N 1 2 326.375 3.860 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000746243612 1132396374 /nfs/dbraw/zinc/39/63/74/1132396374.db2.gz ZESBDWUXTYGUAX-NTCAYCPXSA-N 1 2 341.411 3.510 20 0 EHADLO Cc1cnn(C2CCOCC2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522008 1132398935 /nfs/dbraw/zinc/39/89/35/1132398935.db2.gz GNHZNPMLDPYAJE-UHFFFAOYSA-N 1 2 341.459 3.672 20 0 EHADLO O[C@@H]1CCOc2c(Nc3ccc(N4CCCCC4)[nH+]c3)cccc21 ZINC001174523773 1132399960 /nfs/dbraw/zinc/39/99/60/1132399960.db2.gz QQLMOMYKRMOEDS-QGZVFWFLSA-N 1 2 325.412 3.631 20 0 EHADLO O=C(NC1CC1)c1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524059 1132401046 /nfs/dbraw/zinc/40/10/46/1132401046.db2.gz BOIZESNJNFBCGQ-UHFFFAOYSA-N 1 2 336.439 3.708 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000188704016 1132438699 /nfs/dbraw/zinc/43/86/99/1132438699.db2.gz SUUSFAUWHIXARJ-UHFFFAOYSA-N 1 2 326.227 3.698 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000188704016 1132438704 /nfs/dbraw/zinc/43/87/04/1132438704.db2.gz SUUSFAUWHIXARJ-UHFFFAOYSA-N 1 2 326.227 3.698 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(CSc2ccccn2)c1 ZINC000188809720 1132438752 /nfs/dbraw/zinc/43/87/52/1132438752.db2.gz GOXQCABYPVYVBA-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(CSc2ccccn2)c1 ZINC000188809720 1132438755 /nfs/dbraw/zinc/43/87/55/1132438755.db2.gz GOXQCABYPVYVBA-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH]c[nH+]2)cccc1C(=O)Nc1ccccc1 ZINC000193031182 1132477574 /nfs/dbraw/zinc/47/75/74/1132477574.db2.gz PYJQSUHDSLTRHV-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH+]c[nH]2)cccc1C(=O)Nc1ccccc1 ZINC000193031182 1132477577 /nfs/dbraw/zinc/47/75/77/1132477577.db2.gz PYJQSUHDSLTRHV-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1cccc(COc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)c1 ZINC000193232526 1132478857 /nfs/dbraw/zinc/47/88/57/1132478857.db2.gz YLLIXAPJLVYLFK-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1cccc(COc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)c1 ZINC000193232526 1132478864 /nfs/dbraw/zinc/47/88/64/1132478864.db2.gz YLLIXAPJLVYLFK-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000193202593 1132479988 /nfs/dbraw/zinc/47/99/88/1132479988.db2.gz KPWFRVCIBZFQMA-MRVPVSSYSA-N 1 2 330.190 3.666 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000193202593 1132479991 /nfs/dbraw/zinc/47/99/91/1132479991.db2.gz KPWFRVCIBZFQMA-MRVPVSSYSA-N 1 2 330.190 3.666 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1coc(C2CCC2)n1 ZINC000195446291 1132496852 /nfs/dbraw/zinc/49/68/52/1132496852.db2.gz KCMPFVPGIKBVTC-UHFFFAOYSA-N 1 2 346.456 3.637 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)C(=O)OC ZINC001174925168 1132507423 /nfs/dbraw/zinc/50/74/23/1132507423.db2.gz QBGQKKPQDRENLQ-OSMBCOQSSA-N 1 2 341.879 3.575 20 0 EHADLO Fc1cccc(C(F)(F)F)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974925 1132510638 /nfs/dbraw/zinc/51/06/38/1132510638.db2.gz VCOINQYLUBEEIM-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@H](C)[C@@H](C)C3)c(=S)n2C)cc1 ZINC000766372840 1132525106 /nfs/dbraw/zinc/52/51/06/1132525106.db2.gz DSKZIZVXIOUGQQ-GJZGRUSLSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)c(=S)n2C)cc1 ZINC000766372840 1132525112 /nfs/dbraw/zinc/52/51/12/1132525112.db2.gz DSKZIZVXIOUGQQ-GJZGRUSLSA-N 1 2 330.501 3.862 20 0 EHADLO CC(C)n1cc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cn1 ZINC000766407987 1132530988 /nfs/dbraw/zinc/53/09/88/1132530988.db2.gz YWMODVNUTASMCZ-LBPRGKRZSA-N 1 2 327.436 3.532 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(OC(F)F)cc1 ZINC000766387582 1132532641 /nfs/dbraw/zinc/53/26/41/1132532641.db2.gz MKUFWXKCWUSRDQ-UHFFFAOYSA-N 1 2 347.369 3.795 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000798000585 1132546935 /nfs/dbraw/zinc/54/69/35/1132546935.db2.gz AORXDFQWWQPAFK-CQSZACIVSA-N 1 2 327.419 3.510 20 0 EHADLO FCc1ccccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001175080490 1132562079 /nfs/dbraw/zinc/56/20/79/1132562079.db2.gz YKZUQZNAPLRAOB-UHFFFAOYSA-N 1 2 337.442 3.955 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)c(N(C)C)[nH+]1 ZINC000773476167 1132595896 /nfs/dbraw/zinc/59/58/96/1132595896.db2.gz SCXWVNMOIXSBHG-AWEZNQCLSA-N 1 2 336.439 3.690 20 0 EHADLO CCOc1ccc(OC)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175212622 1132596157 /nfs/dbraw/zinc/59/61/57/1132596157.db2.gz BDHGROKDEITHKD-UHFFFAOYSA-N 1 2 342.439 3.670 20 0 EHADLO CCCCOc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001175241642 1132606294 /nfs/dbraw/zinc/60/62/94/1132606294.db2.gz IGCFUBZEGFPNSN-UHFFFAOYSA-N 1 2 341.455 3.965 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCN(C)CC2)c(F)c1 ZINC001175248843 1132608237 /nfs/dbraw/zinc/60/82/37/1132608237.db2.gz SXEYLWCXDCNGHS-UHFFFAOYSA-N 1 2 343.446 3.715 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC001175248966 1132608503 /nfs/dbraw/zinc/60/85/03/1132608503.db2.gz WMOHQWKPRGWCOW-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000766560035 1132622825 /nfs/dbraw/zinc/62/28/25/1132622825.db2.gz QSUNDBOVESQZSI-VXGBXAGGSA-N 1 2 349.356 3.616 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC001175267510 1132624300 /nfs/dbraw/zinc/62/43/00/1132624300.db2.gz GBYYQMZHQMBHRV-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC001175267510 1132624304 /nfs/dbraw/zinc/62/43/04/1132624304.db2.gz GBYYQMZHQMBHRV-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)c[nH+]1 ZINC001175344065 1132627506 /nfs/dbraw/zinc/62/75/06/1132627506.db2.gz RVQNZBNGOYVXLC-HNNXBMFYSA-N 1 2 331.391 3.588 20 0 EHADLO COc1nc(Br)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346157 1132628552 /nfs/dbraw/zinc/62/85/52/1132628552.db2.gz LSETVPKEOZZYHQ-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1nc2ccc(Cl)cc2c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169000547 1132628927 /nfs/dbraw/zinc/62/89/27/1132628927.db2.gz PFNNHKHBAHOONB-UHFFFAOYSA-N 1 2 337.814 3.894 20 0 EHADLO CN(C)c1ccc(Nc2cccc([C@@H]3CN4C=CSC4=N3)c2)c[nH+]1 ZINC001175346679 1132629208 /nfs/dbraw/zinc/62/92/08/1132629208.db2.gz XJLMRLWJQXMSFA-INIZCTEOSA-N 1 2 337.452 3.822 20 0 EHADLO CCOC(=O)c1cnc2cccc(Nc3ccc(N(C)C)[nH+]c3)c2c1 ZINC001175346315 1132629277 /nfs/dbraw/zinc/62/92/77/1132629277.db2.gz SLLFHFAVFJDIKG-UHFFFAOYSA-N 1 2 336.395 3.616 20 0 EHADLO Fc1ccc2c(c1)nc(Cl)nc2NCCc1cn2ccccc2[nH+]1 ZINC001169000199 1132629284 /nfs/dbraw/zinc/62/92/84/1132629284.db2.gz HLBNHIQKHRKZFW-UHFFFAOYSA-N 1 2 341.777 3.725 20 0 EHADLO CCOP(=O)(OCC)c1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1 ZINC001175346272 1132629551 /nfs/dbraw/zinc/62/95/51/1132629551.db2.gz PWEYTKVDLGQHSK-UHFFFAOYSA-N 1 2 349.371 3.783 20 0 EHADLO CC(C)(C)c1cnn2cc(Nc3ccc(N4CCCC4)[nH+]c3)cnc12 ZINC001175347194 1132629583 /nfs/dbraw/zinc/62/95/83/1132629583.db2.gz GDUBDSSXOGINED-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO Fc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)n1 ZINC001175348354 1132630364 /nfs/dbraw/zinc/63/03/64/1132630364.db2.gz FRMSVPUEBBEAQS-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO CN(c1ccc(N2CCCC2)[nH+]c1)c1cc(Br)ccc1N ZINC001175352240 1132645767 /nfs/dbraw/zinc/64/57/67/1132645767.db2.gz SWLLTOHZXFWESJ-UHFFFAOYSA-N 1 2 347.260 3.794 20 0 EHADLO CC(=O)N1CCCc2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc21 ZINC001175349653 1132645943 /nfs/dbraw/zinc/64/59/43/1132645943.db2.gz BTZIJVGFSLUPAA-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cnc2cccnc2c1 ZINC001175355797 1132648401 /nfs/dbraw/zinc/64/84/01/1132648401.db2.gz BJNHFXMNRUWXCC-UHFFFAOYSA-N 1 2 346.394 3.525 20 0 EHADLO Fc1cc(CNc2ccc(Cn3cc[nH+]c3)cc2)c2c(c1)COCO2 ZINC001169097246 1132654413 /nfs/dbraw/zinc/65/44/13/1132654413.db2.gz LZUJHNGQQOXQNY-UHFFFAOYSA-N 1 2 339.370 3.549 20 0 EHADLO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001169081383 1132658259 /nfs/dbraw/zinc/65/82/59/1132658259.db2.gz XWVIKAYHAINVNE-GOSISDBHSA-N 1 2 326.488 3.875 20 0 EHADLO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001169081383 1132658264 /nfs/dbraw/zinc/65/82/64/1132658264.db2.gz XWVIKAYHAINVNE-GOSISDBHSA-N 1 2 326.488 3.875 20 0 EHADLO O=C(C[N@H+]1CCC[C@](F)(c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC001175492684 1132683166 /nfs/dbraw/zinc/68/31/66/1132683166.db2.gz QLPGAASAQDTHIS-OAQYLSRUSA-N 1 2 344.474 3.881 20 0 EHADLO O=C(C[N@@H+]1CCC[C@](F)(c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC001175492684 1132683173 /nfs/dbraw/zinc/68/31/73/1132683173.db2.gz QLPGAASAQDTHIS-OAQYLSRUSA-N 1 2 344.474 3.881 20 0 EHADLO Cc1nc(Nc2ccc(SC(C)C)cc2)cc(N2CCOCC2)[nH+]1 ZINC001175624357 1132716280 /nfs/dbraw/zinc/71/62/80/1132716280.db2.gz ZOBUJSZDPREXRR-UHFFFAOYSA-N 1 2 344.484 3.866 20 0 EHADLO Nc1cn2ccc(N[C@@H]3CCc4c3cccc4OC(F)(F)F)cc2[nH+]1 ZINC001169360187 1132733049 /nfs/dbraw/zinc/73/30/49/1132733049.db2.gz VIPSZBREJFUSOP-CYBMUJFWSA-N 1 2 348.328 3.915 20 0 EHADLO Cc1n[nH]c2cc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)[nH+]c3)ccc12 ZINC001175660014 1132733147 /nfs/dbraw/zinc/73/31/47/1132733147.db2.gz SWVKGRXPYJPENB-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO COC(=O)c1cc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1C ZINC001175713763 1132740513 /nfs/dbraw/zinc/74/05/13/1132740513.db2.gz CWPYLOHQMZFVRG-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO Cc1ccc(Br)nc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712196 1132740810 /nfs/dbraw/zinc/74/08/10/1132740810.db2.gz JNSBGXRRQZDJTB-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Cc1ncc(Br)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706310 1132753947 /nfs/dbraw/zinc/75/39/47/1132753947.db2.gz ODFTVECKEGVAKT-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COC(=O)c1csc(C)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175711233 1132755356 /nfs/dbraw/zinc/75/53/56/1132755356.db2.gz SSOMOCKLOVXJMF-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(-c3ccncn3)cs2)c[nH+]1 ZINC001175710928 1132756032 /nfs/dbraw/zinc/75/60/32/1132756032.db2.gz ONMDLLKUKRYYNY-UHFFFAOYSA-N 1 2 337.330 3.945 20 0 EHADLO C[C@@H](C(=O)OCc1nnc(-c2ccccc2)s1)[NH+]1CCCCCC1 ZINC000766717759 1132766452 /nfs/dbraw/zinc/76/64/52/1132766452.db2.gz IFGQKTLSICGIII-AWEZNQCLSA-N 1 2 345.468 3.513 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@H]1Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169624717 1132799187 /nfs/dbraw/zinc/79/91/87/1132799187.db2.gz BAFDOPYMKZZGGS-TZIWHRDSSA-N 1 2 347.418 3.516 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c(F)c1F ZINC001176094378 1132833939 /nfs/dbraw/zinc/83/39/39/1132833939.db2.gz ZUHZABONWJEEEI-VXGBXAGGSA-N 1 2 348.397 3.729 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]ccc2OC)c(C(F)(F)F)c1 ZINC001176120890 1132853961 /nfs/dbraw/zinc/85/39/61/1132853961.db2.gz ACSURYAGICYJJH-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(OC)c1C(=O)C(F)(F)F ZINC001176125136 1132854474 /nfs/dbraw/zinc/85/44/74/1132854474.db2.gz WTIQWLLTOZVLOK-UHFFFAOYSA-N 1 2 326.274 3.587 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cccc4oc(=O)[nH]c43)cc2)[nH+]c1C ZINC001176220941 1132878586 /nfs/dbraw/zinc/87/85/86/1132878586.db2.gz XXXVHHBEQUMOSA-UHFFFAOYSA-N 1 2 348.362 3.793 20 0 EHADLO CCN(C)c1ccc(Nc2c(Cl)cccc2COC(C)=O)c[nH+]1 ZINC001212775913 1132972529 /nfs/dbraw/zinc/97/25/29/1132972529.db2.gz CJIJGOGIIJBEHR-UHFFFAOYSA-N 1 2 333.819 3.998 20 0 EHADLO Fc1ncc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176748931 1132991682 /nfs/dbraw/zinc/99/16/82/1132991682.db2.gz JSVSUVNAKRDPFV-UHFFFAOYSA-N 1 2 326.297 3.978 20 0 EHADLO COC(=O)c1ccc(Cl)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749030 1132992093 /nfs/dbraw/zinc/99/20/93/1132992093.db2.gz PJBKTYRUCZFHCH-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO CCC1(CC)C[N@H+](Cn2c(-c3ccccn3)csc2=O)CCS1 ZINC000767478941 1133008289 /nfs/dbraw/zinc/00/82/89/1133008289.db2.gz JMOUZBYYJGJFCO-UHFFFAOYSA-N 1 2 349.525 3.537 20 0 EHADLO CCC1(CC)C[N@@H+](Cn2c(-c3ccccn3)csc2=O)CCS1 ZINC000767478941 1133008293 /nfs/dbraw/zinc/00/82/93/1133008293.db2.gz JMOUZBYYJGJFCO-UHFFFAOYSA-N 1 2 349.525 3.537 20 0 EHADLO CCc1ccc2c(c1)CC[N@@H+](Cc1ccncc1Br)C2 ZINC001177008473 1133021340 /nfs/dbraw/zinc/02/13/40/1133021340.db2.gz KORVHHNOSBXRJQ-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CCc1ccc2c(c1)CC[N@H+](Cc1ccncc1Br)C2 ZINC001177008473 1133021344 /nfs/dbraw/zinc/02/13/44/1133021344.db2.gz KORVHHNOSBXRJQ-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CCCc1ccccc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177013728 1133022180 /nfs/dbraw/zinc/02/21/80/1133022180.db2.gz OXNLANZTHVLBNU-LJQANCHMSA-N 1 2 326.415 3.565 20 0 EHADLO COc1ccc(Oc2cc(C[NH2+]Cc3ncc(C)s3)ccn2)cc1 ZINC001177319087 1133054572 /nfs/dbraw/zinc/05/45/72/1133054572.db2.gz UVMLJEQQQLWRIC-UHFFFAOYSA-N 1 2 341.436 3.937 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(OC)c(OCC(F)(F)F)c1 ZINC001177349450 1133059551 /nfs/dbraw/zinc/05/95/51/1133059551.db2.gz VRNIGGZVLMGNRP-UHFFFAOYSA-N 1 2 343.349 3.855 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+]Cc3cn4ccsc4n3)cn2)cc1 ZINC001177520023 1133073670 /nfs/dbraw/zinc/07/36/70/1133073670.db2.gz WQDZBYKDXOQWQV-UHFFFAOYSA-N 1 2 343.843 3.525 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+](Cn3ccc(Br)n3)C2)cc1 ZINC000767974084 1133076089 /nfs/dbraw/zinc/07/60/89/1133076089.db2.gz RSVYLIKJNAVWAX-LBPRGKRZSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+](Cn3ccc(Br)n3)C2)cc1 ZINC000767974084 1133076094 /nfs/dbraw/zinc/07/60/94/1133076094.db2.gz RSVYLIKJNAVWAX-LBPRGKRZSA-N 1 2 340.652 3.746 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 ZINC001177810293 1133105214 /nfs/dbraw/zinc/10/52/14/1133105214.db2.gz JZCRUHHIHTWAAJ-UHFFFAOYSA-N 1 2 349.463 3.934 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)cc(OCc2ccccc2)c1)n1cc[nH+]c1 ZINC001177926868 1133111897 /nfs/dbraw/zinc/11/18/97/1133111897.db2.gz PODYWDPENCZTIT-CQSZACIVSA-N 1 2 339.370 3.801 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000768236910 1133116313 /nfs/dbraw/zinc/11/63/13/1133116313.db2.gz LPGJFOXQCCRPKF-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000768236910 1133116317 /nfs/dbraw/zinc/11/63/17/1133116317.db2.gz LPGJFOXQCCRPKF-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000218 1133123132 /nfs/dbraw/zinc/12/31/32/1133123132.db2.gz CSERVQGINBUVLH-MRXNPFEDSA-N 1 2 338.455 3.741 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2cc3cccc(OC)c3o2)CC1 ZINC000768339633 1133126591 /nfs/dbraw/zinc/12/65/91/1133126591.db2.gz UGEMAFDKDVJGKW-UHFFFAOYSA-N 1 2 344.455 3.522 20 0 EHADLO CCOc1c(Cl)cc(CNc2ccc(N(C)C)c[nH+]2)cc1OC ZINC001178060358 1133128560 /nfs/dbraw/zinc/12/85/60/1133128560.db2.gz PSRWGGWSPSRWRP-UHFFFAOYSA-N 1 2 335.835 3.820 20 0 EHADLO COc1cc(CNc2ccc(N(C)C)[nH+]c2)cc(C(F)(F)F)c1 ZINC001178144101 1133136768 /nfs/dbraw/zinc/13/67/68/1133136768.db2.gz ZAJGVSSZBOAYLM-UHFFFAOYSA-N 1 2 325.334 3.787 20 0 EHADLO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178122002 1133137839 /nfs/dbraw/zinc/13/78/39/1133137839.db2.gz PGZXYYRVEXRNPV-SFHVURJKSA-N 1 2 349.409 3.568 20 0 EHADLO CCc1[nH]c(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c[nH+]1 ZINC001178670423 1133188749 /nfs/dbraw/zinc/18/87/49/1133188749.db2.gz YPDNGKHOOXPGJC-UHFFFAOYSA-N 1 2 341.361 3.847 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH+]1 ZINC001178670423 1133188756 /nfs/dbraw/zinc/18/87/56/1133188756.db2.gz YPDNGKHOOXPGJC-UHFFFAOYSA-N 1 2 341.361 3.847 20 0 EHADLO CCc1[nH]c(CNC(=O)c2oc3ccccc3c2COC(C)C)c[nH+]1 ZINC001178662682 1133189104 /nfs/dbraw/zinc/18/91/04/1133189104.db2.gz VUKFXAWUJBBENJ-UHFFFAOYSA-N 1 2 341.411 3.573 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2oc3ccccc3c2COC(C)C)[nH+]1 ZINC001178662682 1133189106 /nfs/dbraw/zinc/18/91/06/1133189106.db2.gz VUKFXAWUJBBENJ-UHFFFAOYSA-N 1 2 341.411 3.573 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000768905816 1133201345 /nfs/dbraw/zinc/20/13/45/1133201345.db2.gz CEZMBFCBYZJLFB-QGZVFWFLSA-N 1 2 348.437 3.906 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC001178926335 1133208582 /nfs/dbraw/zinc/20/85/82/1133208582.db2.gz NNYZYOFZIDLFCN-LJQANCHMSA-N 1 2 345.402 3.630 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000769036249 1133216763 /nfs/dbraw/zinc/21/67/63/1133216763.db2.gz UTHTXWNNRGFAHE-MRXNPFEDSA-N 1 2 347.890 3.817 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000769036249 1133216768 /nfs/dbraw/zinc/21/67/68/1133216768.db2.gz UTHTXWNNRGFAHE-MRXNPFEDSA-N 1 2 347.890 3.817 20 0 EHADLO COc1ccc(CNc2cc3cc[nH]c3c[nH+]2)c(Br)c1 ZINC001179044373 1133222771 /nfs/dbraw/zinc/22/27/71/1133222771.db2.gz CFTCHBMHNUVOFH-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2ccc(N(C)c3ccccc3)nc2)[nH+]1 ZINC001179092000 1133227300 /nfs/dbraw/zinc/22/73/00/1133227300.db2.gz GHLFFVDUKUKJRQ-UHFFFAOYSA-N 1 2 349.438 3.626 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2ccc(N(C)c3ccccc3)nc2)c[nH+]1 ZINC001179092000 1133227308 /nfs/dbraw/zinc/22/73/08/1133227308.db2.gz GHLFFVDUKUKJRQ-UHFFFAOYSA-N 1 2 349.438 3.626 20 0 EHADLO FC(F)Cn1cc(CNc2ccc(Nc3ccccc3)c[nH+]2)cn1 ZINC001179205626 1133235664 /nfs/dbraw/zinc/23/56/64/1133235664.db2.gz STJZJDBGQBVGQA-UHFFFAOYSA-N 1 2 329.354 3.899 20 0 EHADLO CNC(=O)N(C)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC001179462762 1133253024 /nfs/dbraw/zinc/25/30/24/1133253024.db2.gz BGGFBPXROLQSCE-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000769328470 1133262547 /nfs/dbraw/zinc/26/25/47/1133262547.db2.gz INJKYKYCYCLRAK-OAHLLOKOSA-N 1 2 333.863 3.672 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000769328470 1133262551 /nfs/dbraw/zinc/26/25/51/1133262551.db2.gz INJKYKYCYCLRAK-OAHLLOKOSA-N 1 2 333.863 3.672 20 0 EHADLO CCCn1c[nH+]cc1CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001179626953 1133268489 /nfs/dbraw/zinc/26/84/89/1133268489.db2.gz RHIYXCUHRXDCHL-QGZVFWFLSA-N 1 2 347.434 3.605 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCCOc1ccc(F)cc1Cl ZINC000769563248 1133315157 /nfs/dbraw/zinc/31/51/57/1133315157.db2.gz HHFQOGWUNCATNY-UHFFFAOYSA-N 1 2 328.796 3.661 20 0 EHADLO CCCn1c[nH+]cc1CN1CCCC[C@H]1c1nc2ccccc2n1C ZINC001179969655 1133315536 /nfs/dbraw/zinc/31/55/36/1133315536.db2.gz JZSVTNBQHJHSTP-IBGZPJMESA-N 1 2 337.471 3.907 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180195690 1133348362 /nfs/dbraw/zinc/34/83/62/1133348362.db2.gz ZQEILOLHUNZJKR-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180195690 1133348370 /nfs/dbraw/zinc/34/83/70/1133348370.db2.gz ZQEILOLHUNZJKR-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001180404129 1133366319 /nfs/dbraw/zinc/36/63/19/1133366319.db2.gz QAIGMNNMJNEQNF-UHFFFAOYSA-N 1 2 326.484 3.742 20 0 EHADLO Cc1ccc(Nc2nc(C)c(Br)c(Cl)n2)c(C)[nH+]1 ZINC001203362614 1133371425 /nfs/dbraw/zinc/37/14/25/1133371425.db2.gz CIYYCEUZHBODFJ-UHFFFAOYSA-N 1 2 327.613 3.956 20 0 EHADLO Cc1ccc(SC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770103939 1133387236 /nfs/dbraw/zinc/38/72/36/1133387236.db2.gz GHUDRQOAHONIOJ-CQSZACIVSA-N 1 2 325.437 3.553 20 0 EHADLO c1ccc(CC[C@@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC001180663917 1133404642 /nfs/dbraw/zinc/40/46/42/1133404642.db2.gz BAFPBZVQWOZXDB-HXUWFJFHSA-N 1 2 336.479 3.794 20 0 EHADLO c1ccc(CC[C@@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC001180663917 1133404646 /nfs/dbraw/zinc/40/46/46/1133404646.db2.gz BAFPBZVQWOZXDB-HXUWFJFHSA-N 1 2 336.479 3.794 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C(C2CCCCC2)C2CCCCC2)c1 ZINC001180982799 1133442239 /nfs/dbraw/zinc/44/22/39/1133442239.db2.gz CQYDNGAUZVYNHA-UHFFFAOYSA-N 1 2 331.504 3.856 20 0 EHADLO Cc1cc2occ(CC(=O)OCc3cccc4[nH+]ccn43)c2cc1C ZINC000770910653 1133480907 /nfs/dbraw/zinc/48/09/07/1133480907.db2.gz KFECAFVZXDQHCS-UHFFFAOYSA-N 1 2 334.375 3.983 20 0 EHADLO CCC(CC)n1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)n1 ZINC000770872727 1133481451 /nfs/dbraw/zinc/48/14/51/1133481451.db2.gz MVHWWGYYOJHOFK-UHFFFAOYSA-N 1 2 349.504 3.795 20 0 EHADLO CCCOc1ccc(CCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770924547 1133484410 /nfs/dbraw/zinc/48/44/10/1133484410.db2.gz GZCXRKVGYSJSQC-UHFFFAOYSA-N 1 2 338.407 3.799 20 0 EHADLO O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181805769 1133530241 /nfs/dbraw/zinc/53/02/41/1133530241.db2.gz LRYFWNNFHRWVDF-UHFFFAOYSA-N 1 2 330.391 3.594 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCc3cccn(C(F)F)c3=O)cc2)c1C ZINC001182109906 1133574207 /nfs/dbraw/zinc/57/42/07/1133574207.db2.gz VCRIGFKWENZYSA-UHFFFAOYSA-N 1 2 344.365 3.658 20 0 EHADLO COc1c(Br)cccc1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001250040495 1133593509 /nfs/dbraw/zinc/59/35/09/1133593509.db2.gz AEWBUXAHEFGRHR-UHFFFAOYSA-N 1 2 332.201 3.687 20 0 EHADLO Cc1c(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)ncn1C ZINC001182235814 1133595507 /nfs/dbraw/zinc/59/55/07/1133595507.db2.gz HLMZFCHUCUYVSB-IBGZPJMESA-N 1 2 348.450 3.540 20 0 EHADLO Cc1c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)ncn1C ZINC001182235814 1133595512 /nfs/dbraw/zinc/59/55/12/1133595512.db2.gz HLMZFCHUCUYVSB-IBGZPJMESA-N 1 2 348.450 3.540 20 0 EHADLO c1ccc(CCCOC2C[NH+](Cc3ccc4c(c3)CCCO4)C2)cc1 ZINC001182215075 1133597043 /nfs/dbraw/zinc/59/70/43/1133597043.db2.gz DNNNHNJFVUTMQQ-UHFFFAOYSA-N 1 2 337.463 3.845 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)C1(Cc2ccccc2)CCCCC1 ZINC001182217510 1133597248 /nfs/dbraw/zinc/59/72/48/1133597248.db2.gz AHKDPFRETVAJJD-UHFFFAOYSA-N 1 2 338.451 3.770 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F)c1ccccc1Cl ZINC001182226550 1133599370 /nfs/dbraw/zinc/59/93/70/1133599370.db2.gz SASLYJSIJOCCOJ-WRFANHODSA-N 1 2 338.854 3.682 20 0 EHADLO O=C(CCCOc1cccc(Cl)c1Cl)OCCn1cc[nH+]c1 ZINC000771941061 1133617775 /nfs/dbraw/zinc/61/77/75/1133617775.db2.gz QKBGGZDVPOHUIZ-UHFFFAOYSA-N 1 2 343.210 3.592 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C\c3ccc(Cl)cc3)[nH+]c12 ZINC000746540737 1133683548 /nfs/dbraw/zinc/68/35/48/1133683548.db2.gz WWRJQTRHQUPQLG-TWGQIWQCSA-N 1 2 339.826 3.668 20 0 EHADLO C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)[C@H]1C(=O)OC(C)(C)C ZINC001182489430 1133694652 /nfs/dbraw/zinc/69/46/52/1133694652.db2.gz LTUVEXUZRXYHIG-CXAGYDPISA-N 1 2 339.426 3.950 20 0 EHADLO C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2F)[C@H]1C(=O)OC(C)(C)C ZINC001182489430 1133694656 /nfs/dbraw/zinc/69/46/56/1133694656.db2.gz LTUVEXUZRXYHIG-CXAGYDPISA-N 1 2 339.426 3.950 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnc(C)c(Cl)c3Cl)ccc2[nH+]1 ZINC001182551757 1133695497 /nfs/dbraw/zinc/69/54/97/1133695497.db2.gz INBMBIPHJZSGLK-UHFFFAOYSA-N 1 2 335.194 3.905 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500666 1133714405 /nfs/dbraw/zinc/71/44/05/1133714405.db2.gz HVWOPBXTIKKIRF-GOSISDBHSA-N 1 2 343.858 3.977 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500666 1133714410 /nfs/dbraw/zinc/71/44/10/1133714410.db2.gz HVWOPBXTIKKIRF-GOSISDBHSA-N 1 2 343.858 3.977 20 0 EHADLO O=C(O[C@H]1COc2cc(Cl)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774531366 1133719262 /nfs/dbraw/zinc/71/92/62/1133719262.db2.gz FTXJGWGCXWCGDP-KRWDZBQOSA-N 1 2 340.766 3.816 20 0 EHADLO COc1cc(C)c(Br)cc1C[N@@H+]1CCn2cccc2C1 ZINC001250083378 1133721117 /nfs/dbraw/zinc/72/11/17/1133721117.db2.gz DLMBVRXFVOPIIH-UHFFFAOYSA-N 1 2 335.245 3.583 20 0 EHADLO COc1cc(C)c(Br)cc1C[N@H+]1CCn2cccc2C1 ZINC001250083378 1133721119 /nfs/dbraw/zinc/72/11/19/1133721119.db2.gz DLMBVRXFVOPIIH-UHFFFAOYSA-N 1 2 335.245 3.583 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC001182880754 1133741787 /nfs/dbraw/zinc/74/17/87/1133741787.db2.gz KBAOTBRVKXIUOT-INIZCTEOSA-N 1 2 349.368 3.909 20 0 EHADLO Fc1cc(CNc2cccc(Br)n2)ccc1-n1cc[nH+]c1 ZINC000785716343 1133746586 /nfs/dbraw/zinc/74/65/86/1133746586.db2.gz CUULHUWLZULVOE-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO CO[C@](C)(C[NH2+]CC(F)(F)c1ccc(Br)cc1)C1CC1 ZINC001182999182 1133756135 /nfs/dbraw/zinc/75/61/35/1133756135.db2.gz HHWCAXKKYGXVBH-CQSZACIVSA-N 1 2 348.231 3.946 20 0 EHADLO Cc1ncccc1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001183206287 1133781678 /nfs/dbraw/zinc/78/16/78/1133781678.db2.gz OEHGAFXIDWXFSN-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NC)cc1 ZINC000786114981 1133802101 /nfs/dbraw/zinc/80/21/01/1133802101.db2.gz XNFFAMGBMHIWGW-UHFFFAOYSA-N 1 2 336.439 3.656 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@H+](C/C=C\c1cccc(F)c1)C2 ZINC001184076041 1133888589 /nfs/dbraw/zinc/88/85/89/1133888589.db2.gz BQAVHXDGHYWHJL-XQRVVYSFSA-N 1 2 341.382 3.520 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@@H+](C/C=C\c1cccc(F)c1)C2 ZINC001184076041 1133888595 /nfs/dbraw/zinc/88/85/95/1133888595.db2.gz BQAVHXDGHYWHJL-XQRVVYSFSA-N 1 2 341.382 3.520 20 0 EHADLO CC(C)[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1 ZINC001170063645 1133893034 /nfs/dbraw/zinc/89/30/34/1133893034.db2.gz UOLNPWGJCNIKKV-IBGZPJMESA-N 1 2 329.419 3.867 20 0 EHADLO Cc1cccc2ccn(CC(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)c21 ZINC001184192942 1133903554 /nfs/dbraw/zinc/90/35/54/1133903554.db2.gz CWDWBSXTVMKZNB-UHFFFAOYSA-N 1 2 344.418 3.833 20 0 EHADLO CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)NCCc3[nH+]ccn3C)CC[C@@H](C)[C@@H]2CC1 ZINC001184504447 1133953524 /nfs/dbraw/zinc/95/35/24/1133953524.db2.gz WMNJARRVRBFPKI-GFEQUFNTSA-N 1 2 343.515 3.734 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000787139180 1133959175 /nfs/dbraw/zinc/95/91/75/1133959175.db2.gz OPJFRAAFZGRNFY-IBGZPJMESA-N 1 2 342.393 3.623 20 0 EHADLO Cc1nc(F)ccc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000787139180 1133959179 /nfs/dbraw/zinc/95/91/79/1133959179.db2.gz OPJFRAAFZGRNFY-IBGZPJMESA-N 1 2 342.393 3.623 20 0 EHADLO C[C@@H](C[N@H+](C)CN1CCSC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787247339 1133978043 /nfs/dbraw/zinc/97/80/43/1133978043.db2.gz YDIRRJUVNNWLQA-JTQLQIEISA-N 1 2 349.283 3.819 20 0 EHADLO C[C@@H](C[N@@H+](C)CN1CCSC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787247339 1133978048 /nfs/dbraw/zinc/97/80/48/1133978048.db2.gz YDIRRJUVNNWLQA-JTQLQIEISA-N 1 2 349.283 3.819 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000746669595 1133984828 /nfs/dbraw/zinc/98/48/28/1133984828.db2.gz GHOUZMAXAKMAPD-LBPRGKRZSA-N 1 2 330.375 3.636 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000746669595 1133984832 /nfs/dbraw/zinc/98/48/32/1133984832.db2.gz GHOUZMAXAKMAPD-LBPRGKRZSA-N 1 2 330.375 3.636 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787309512 1133994108 /nfs/dbraw/zinc/99/41/08/1133994108.db2.gz UCASAUMMRSUMQC-CQSZACIVSA-N 1 2 336.785 3.738 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787309512 1133994112 /nfs/dbraw/zinc/99/41/12/1133994112.db2.gz UCASAUMMRSUMQC-CQSZACIVSA-N 1 2 336.785 3.738 20 0 EHADLO C[C@H](CC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872996 1134089840 /nfs/dbraw/zinc/08/98/40/1134089840.db2.gz DJOZWLCISLCABU-PBHICJAKSA-N 1 2 327.428 3.514 20 0 EHADLO C[C@H](CC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872996 1134089845 /nfs/dbraw/zinc/08/98/45/1134089845.db2.gz DJOZWLCISLCABU-PBHICJAKSA-N 1 2 327.428 3.514 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cc(Cl)c[nH]1 ZINC000788243353 1134099474 /nfs/dbraw/zinc/09/94/74/1134099474.db2.gz MBLOUMJSGWNWMK-ZDUSSCGKSA-N 1 2 346.862 3.726 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cc(Cl)c[nH]1 ZINC000788243353 1134099479 /nfs/dbraw/zinc/09/94/79/1134099479.db2.gz MBLOUMJSGWNWMK-ZDUSSCGKSA-N 1 2 346.862 3.726 20 0 EHADLO CSCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788249076 1134100823 /nfs/dbraw/zinc/10/08/23/1134100823.db2.gz YZGQOVIXSPXLQL-CQSZACIVSA-N 1 2 335.517 3.574 20 0 EHADLO CSCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788249076 1134100826 /nfs/dbraw/zinc/10/08/26/1134100826.db2.gz YZGQOVIXSPXLQL-CQSZACIVSA-N 1 2 335.517 3.574 20 0 EHADLO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(F)C(F)(F)F ZINC000788292895 1134108980 /nfs/dbraw/zinc/10/89/80/1134108980.db2.gz JLDHYKQYWVADAH-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H](F)C(F)(F)F ZINC000788292895 1134108983 /nfs/dbraw/zinc/10/89/83/1134108983.db2.gz JLDHYKQYWVADAH-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO CCCC[C@H](CC)CNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788331112 1134110014 /nfs/dbraw/zinc/11/00/14/1134110014.db2.gz GLXSUIUTQKALEN-DOTOQJQBSA-N 1 2 335.517 3.626 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001185754602 1134134127 /nfs/dbraw/zinc/13/41/27/1134134127.db2.gz URRLGPPFJWPATG-OAQYLSRUSA-N 1 2 347.462 3.622 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001185754602 1134134131 /nfs/dbraw/zinc/13/41/31/1134134131.db2.gz URRLGPPFJWPATG-OAQYLSRUSA-N 1 2 347.462 3.622 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)s1 ZINC000788507636 1134134787 /nfs/dbraw/zinc/13/47/87/1134134787.db2.gz BRSGMRCZHSXJGQ-UHFFFAOYSA-N 1 2 338.358 3.637 20 0 EHADLO CCc1cc(N[C@H]2CCCN(c3ccccc3F)C2)nc(CC)[nH+]1 ZINC001185996095 1134154051 /nfs/dbraw/zinc/15/40/51/1134154051.db2.gz TXSSVPUSFYJBGW-HNNXBMFYSA-N 1 2 328.435 3.821 20 0 EHADLO CC(C)c1cc(N[C@H]2CN(c3ccc(F)cc3)C2=O)nc(C(C)C)[nH+]1 ZINC001186069982 1134164655 /nfs/dbraw/zinc/16/46/55/1134164655.db2.gz LBBOQPYTEQUDPW-INIZCTEOSA-N 1 2 342.418 3.690 20 0 EHADLO Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)CC2 ZINC000788828605 1134177947 /nfs/dbraw/zinc/17/79/47/1134177947.db2.gz UJNWKZHKDYCTAZ-KRWDZBQOSA-N 1 2 338.842 3.757 20 0 EHADLO CCOC(=O)N1CCC[C@@H]([C@H](C)Nc2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001186185515 1134178888 /nfs/dbraw/zinc/17/88/88/1134178888.db2.gz XZDLPNWXUFONON-GOEBONIOSA-N 1 2 346.475 3.721 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001186267905 1134190795 /nfs/dbraw/zinc/19/07/95/1134190795.db2.gz SIAGBRVBZYRJEZ-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001186267905 1134190798 /nfs/dbraw/zinc/19/07/98/1134190798.db2.gz SIAGBRVBZYRJEZ-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO C[C@H](NC(=O)NCc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC001186409097 1134210456 /nfs/dbraw/zinc/21/04/56/1134210456.db2.gz VUNHATBMBLLFKT-INIZCTEOSA-N 1 2 340.471 3.699 20 0 EHADLO Cn1c[nH+]cc1NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186607068 1134239800 /nfs/dbraw/zinc/23/98/00/1134239800.db2.gz JGNVWZICSXKFFB-UHFFFAOYSA-N 1 2 347.827 3.541 20 0 EHADLO CSc1ccccc1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001186773071 1134256040 /nfs/dbraw/zinc/25/60/40/1134256040.db2.gz USTGTPBHWRGVJF-UHFFFAOYSA-N 1 2 330.457 3.727 20 0 EHADLO Cc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001187437627 1134335211 /nfs/dbraw/zinc/33/52/11/1134335211.db2.gz JNERYKBXOVQLRJ-OAHLLOKOSA-N 1 2 346.475 3.864 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(Oc2ccccc2)o1 ZINC000789792090 1134335486 /nfs/dbraw/zinc/33/54/86/1134335486.db2.gz RRYMOBHWQLRNQG-UHFFFAOYSA-N 1 2 326.352 3.595 20 0 EHADLO Cc1nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc[nH+]1 ZINC001187437143 1134340307 /nfs/dbraw/zinc/34/03/07/1134340307.db2.gz CZEXQEHFAOIYQQ-CQSZACIVSA-N 1 2 334.464 3.623 20 0 EHADLO C[C@@H]1CN(C(=O)c2nc(Cl)cs2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000790008340 1134360713 /nfs/dbraw/zinc/36/07/13/1134360713.db2.gz SCKKJYDGNSGBTF-OLZOCXBDSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1CN(C(=O)c2nc(Cl)cs2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000790008340 1134360719 /nfs/dbraw/zinc/36/07/19/1134360719.db2.gz SCKKJYDGNSGBTF-OLZOCXBDSA-N 1 2 349.887 3.532 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccoc1C(F)(F)F ZINC001187719935 1134374466 /nfs/dbraw/zinc/37/44/66/1134374466.db2.gz QALUDWVYPGDVSN-UHFFFAOYSA-N 1 2 335.285 3.796 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CN(C)c3ccccc3)c2)[nH+]c1C ZINC000746882038 1134375265 /nfs/dbraw/zinc/37/52/65/1134375265.db2.gz SQGPFDKIUSEBLL-UHFFFAOYSA-N 1 2 334.423 3.768 20 0 EHADLO CC(C)n1cc(C(=O)Nc2cc[nH+]c3c2CCC3)c(C(F)(F)F)c1 ZINC001187775519 1134376959 /nfs/dbraw/zinc/37/69/59/1134376959.db2.gz VUMSJQDESYQDFD-UHFFFAOYSA-N 1 2 337.345 3.646 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000790253136 1134386164 /nfs/dbraw/zinc/38/61/64/1134386164.db2.gz XOXSMNQSHODFKF-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1cc(NCC[C@H](NC2CC2)C(F)(F)F)nc(C2CCC2)[nH+]1 ZINC001187841766 1134388445 /nfs/dbraw/zinc/38/84/45/1134388445.db2.gz MJJGDUBIUAKEKR-ZDUSSCGKSA-N 1 2 328.382 3.537 20 0 EHADLO CCSc1nn(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c(=S)s1 ZINC000790476487 1134422258 /nfs/dbraw/zinc/42/22/58/1134422258.db2.gz FKQJDMIGPUWMQW-NEPJUHHUSA-N 1 2 347.575 3.881 20 0 EHADLO CCSc1nn(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c(=S)s1 ZINC000790476487 1134422259 /nfs/dbraw/zinc/42/22/59/1134422259.db2.gz FKQJDMIGPUWMQW-NEPJUHHUSA-N 1 2 347.575 3.881 20 0 EHADLO Cc1csc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1Cl ZINC000790489075 1134425438 /nfs/dbraw/zinc/42/54/38/1134425438.db2.gz LIRCVGIDNVGTCG-LLVKDONJSA-N 1 2 325.865 3.751 20 0 EHADLO Cc1nc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)sc1C ZINC000790555309 1134434775 /nfs/dbraw/zinc/43/47/75/1134434775.db2.gz WONKAKFPDMYIPK-UHFFFAOYSA-N 1 2 346.887 3.948 20 0 EHADLO O[C@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000790592868 1134440347 /nfs/dbraw/zinc/44/03/47/1134440347.db2.gz XKRAPCMJTGDUJW-HXUWFJFHSA-N 1 2 334.419 3.999 20 0 EHADLO Brc1cncc([C@H]([NH2+]Cc2coc(C3CC3)n2)C2CC2)c1 ZINC000790623934 1134447228 /nfs/dbraw/zinc/44/72/28/1134447228.db2.gz VXWPPKNGXDRMSS-OAHLLOKOSA-N 1 2 348.244 3.950 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2ncccn2)c1 ZINC001188396938 1134457904 /nfs/dbraw/zinc/45/79/04/1134457904.db2.gz FVILSJUKCONZHS-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cn1 ZINC000790931131 1134480136 /nfs/dbraw/zinc/48/01/36/1134480136.db2.gz KNKYSTGRNXDELR-HNNXBMFYSA-N 1 2 349.475 3.676 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cn1 ZINC000790931131 1134480140 /nfs/dbraw/zinc/48/01/40/1134480140.db2.gz KNKYSTGRNXDELR-HNNXBMFYSA-N 1 2 349.475 3.676 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC001170148011 1134503026 /nfs/dbraw/zinc/50/30/26/1134503026.db2.gz DDZKICVZYJYNPD-MRXNPFEDSA-N 1 2 335.513 3.960 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC001170148011 1134503034 /nfs/dbraw/zinc/50/30/34/1134503034.db2.gz DDZKICVZYJYNPD-MRXNPFEDSA-N 1 2 335.513 3.960 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1cc(Cl)ccc1Cl ZINC001189014586 1134532602 /nfs/dbraw/zinc/53/26/02/1134532602.db2.gz CZBFHJSJHUFQTN-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO CC[C@@H]1C[C@H](CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791448875 1134553110 /nfs/dbraw/zinc/55/31/10/1134553110.db2.gz OIPBNUKRLQBRBZ-VQIMIIECSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(C(=O)NCc2c[nH+]cn2C2CCC2)c(-n2cccc2)s1 ZINC001189314242 1134569262 /nfs/dbraw/zinc/56/92/62/1134569262.db2.gz YLJVYRYHZFJVHW-UHFFFAOYSA-N 1 2 340.452 3.699 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584113 1134571361 /nfs/dbraw/zinc/57/13/61/1134571361.db2.gz NMUPLFXNVSCWQX-BXKDBHETSA-N 1 2 329.297 3.648 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584113 1134571365 /nfs/dbraw/zinc/57/13/65/1134571365.db2.gz NMUPLFXNVSCWQX-BXKDBHETSA-N 1 2 329.297 3.648 20 0 EHADLO Nc1cc(COC(=O)c2sccc2-c2ccc(F)cc2)cc[nH+]1 ZINC000791792825 1134605833 /nfs/dbraw/zinc/60/58/33/1134605833.db2.gz BUNFHCPKYZIXOQ-UHFFFAOYSA-N 1 2 328.368 3.888 20 0 EHADLO C[N@H+](Cc1ccsc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000792168002 1134662418 /nfs/dbraw/zinc/66/24/18/1134662418.db2.gz XIIFWUHDQSGNMM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO C[N@@H+](Cc1ccsc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000792168002 1134662422 /nfs/dbraw/zinc/66/24/22/1134662422.db2.gz XIIFWUHDQSGNMM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO CC[C@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC001170184960 1134701250 /nfs/dbraw/zinc/70/12/50/1134701250.db2.gz YUWJSIQLAWPRFY-QYZOEREBSA-N 1 2 347.499 3.877 20 0 EHADLO Cc1cn(C)nc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC001190660513 1134727344 /nfs/dbraw/zinc/72/73/44/1134727344.db2.gz LIHSHACRDJMNLH-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO Cc1cn(C)nc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC001190660513 1134727349 /nfs/dbraw/zinc/72/73/49/1134727349.db2.gz LIHSHACRDJMNLH-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170248185 1134731946 /nfs/dbraw/zinc/73/19/46/1134731946.db2.gz NEXNDOQQUWLAOR-KBXCAEBGSA-N 1 2 331.843 3.645 20 0 EHADLO COc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1C ZINC001190729425 1134743502 /nfs/dbraw/zinc/74/35/02/1134743502.db2.gz BKYRNCAUUHAMSX-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO Cn1c2ccc(CNc3ccc([NH+]4CCCC4)cc3)cc2sc1=O ZINC000792841754 1134804889 /nfs/dbraw/zinc/80/48/89/1134804889.db2.gz NHGUFJLQYMPAKH-UHFFFAOYSA-N 1 2 339.464 3.812 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)o1 ZINC001191216001 1134819141 /nfs/dbraw/zinc/81/91/41/1134819141.db2.gz LWIURGNJXZNGJL-GOSISDBHSA-N 1 2 347.418 3.659 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792921778 1134826515 /nfs/dbraw/zinc/82/65/15/1134826515.db2.gz MYVATOUNRIMOHV-RYUDHWBXSA-N 1 2 334.769 3.897 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792921778 1134826525 /nfs/dbraw/zinc/82/65/25/1134826525.db2.gz MYVATOUNRIMOHV-RYUDHWBXSA-N 1 2 334.769 3.897 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000793053371 1134843071 /nfs/dbraw/zinc/84/30/71/1134843071.db2.gz HAYSYHQVOGDARA-HXUWFJFHSA-N 1 2 325.456 3.791 20 0 EHADLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1c[nH+]cn1C ZINC000793159185 1134857554 /nfs/dbraw/zinc/85/75/54/1134857554.db2.gz CRFURKMGXGOMFE-ZDUSSCGKSA-N 1 2 340.345 3.751 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001191406160 1134861128 /nfs/dbraw/zinc/86/11/28/1134861128.db2.gz FETYVTIRLSYNBR-INIZCTEOSA-N 1 2 329.375 3.604 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)COC2CCC(C)CC2)n1 ZINC000793153697 1134864423 /nfs/dbraw/zinc/86/44/23/1134864423.db2.gz MRNCFBKZUNCYDV-UHFFFAOYSA-N 1 2 339.505 3.519 20 0 EHADLO CC[C@H](C(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793236654 1134881626 /nfs/dbraw/zinc/88/16/26/1134881626.db2.gz BAMVLDAIIJXHKD-HNNXBMFYSA-N 1 2 340.345 3.718 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1F ZINC000793290046 1134895874 /nfs/dbraw/zinc/89/58/74/1134895874.db2.gz QXSZXYPJKNTDTA-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO FC1(F)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000793362002 1134909954 /nfs/dbraw/zinc/90/99/54/1134909954.db2.gz OCTGSMHVEZVABY-UHFFFAOYSA-N 1 2 332.188 3.615 20 0 EHADLO OCC[N@H+](Cc1ccc(OCC2CC2)cc1)Cc1cccnc1Cl ZINC000793363522 1134910744 /nfs/dbraw/zinc/91/07/44/1134910744.db2.gz FQSQGGBDHUMVOZ-UHFFFAOYSA-N 1 2 346.858 3.518 20 0 EHADLO OCC[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1cccnc1Cl ZINC000793363522 1134910751 /nfs/dbraw/zinc/91/07/51/1134910751.db2.gz FQSQGGBDHUMVOZ-UHFFFAOYSA-N 1 2 346.858 3.518 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793489626 1134940146 /nfs/dbraw/zinc/94/01/46/1134940146.db2.gz GSEYTNKIJDIDRF-MRXNPFEDSA-N 1 2 342.405 3.700 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793489626 1134940150 /nfs/dbraw/zinc/94/01/50/1134940150.db2.gz GSEYTNKIJDIDRF-MRXNPFEDSA-N 1 2 342.405 3.700 20 0 EHADLO CCCCCCNC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001191999450 1134950660 /nfs/dbraw/zinc/95/06/60/1134950660.db2.gz DDSLMBKAUGVEMN-UHFFFAOYSA-N 1 2 348.878 3.964 20 0 EHADLO CCOC(=O)C1([NH2+]CCCOc2cccc(Cl)c2)CCCC1 ZINC001192022925 1134957296 /nfs/dbraw/zinc/95/72/96/1134957296.db2.gz QTHSIGPKCAPHRS-UHFFFAOYSA-N 1 2 325.836 3.574 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3ccc(OC(F)F)cc3)c[nH+]c12 ZINC001192190484 1134977092 /nfs/dbraw/zinc/97/70/92/1134977092.db2.gz WJCWNKXQLHVKQW-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000747170942 1135013733 /nfs/dbraw/zinc/01/37/33/1135013733.db2.gz GBORNNMIOUQTNU-UHFFFAOYSA-N 1 2 327.334 3.593 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)s1 ZINC001192644561 1135042562 /nfs/dbraw/zinc/04/25/62/1135042562.db2.gz SZTJACSEHBGBDC-OAHLLOKOSA-N 1 2 344.505 3.525 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)s1 ZINC001192644561 1135042566 /nfs/dbraw/zinc/04/25/66/1135042566.db2.gz SZTJACSEHBGBDC-OAHLLOKOSA-N 1 2 344.505 3.525 20 0 EHADLO CSc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001192644743 1135042721 /nfs/dbraw/zinc/04/27/21/1135042721.db2.gz YHSZMCKQPOCWJN-UHFFFAOYSA-N 1 2 343.477 3.928 20 0 EHADLO CC(C)=CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001192966243 1135084709 /nfs/dbraw/zinc/08/47/09/1135084709.db2.gz WEJZEXNYEUTYGY-HNNXBMFYSA-N 1 2 326.362 3.535 20 0 EHADLO CC(C)=CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001192966243 1135084714 /nfs/dbraw/zinc/08/47/14/1135084714.db2.gz WEJZEXNYEUTYGY-HNNXBMFYSA-N 1 2 326.362 3.535 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000775570923 1135104711 /nfs/dbraw/zinc/10/47/11/1135104711.db2.gz UWHHKWBHJABZFT-VXGBXAGGSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000775570923 1135104714 /nfs/dbraw/zinc/10/47/14/1135104714.db2.gz UWHHKWBHJABZFT-VXGBXAGGSA-N 1 2 328.815 3.751 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC001193385380 1135133768 /nfs/dbraw/zinc/13/37/68/1135133768.db2.gz UUXXCWFFAKBCRM-SMDDNHRTSA-N 1 2 347.402 3.747 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC001193385380 1135133771 /nfs/dbraw/zinc/13/37/71/1135133771.db2.gz UUXXCWFFAKBCRM-SMDDNHRTSA-N 1 2 347.402 3.747 20 0 EHADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001193517114 1135150389 /nfs/dbraw/zinc/15/03/89/1135150389.db2.gz NEADJIRETFMBSF-HNNXBMFYSA-N 1 2 346.418 3.789 20 0 EHADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001193517114 1135150392 /nfs/dbraw/zinc/15/03/92/1135150392.db2.gz NEADJIRETFMBSF-HNNXBMFYSA-N 1 2 346.418 3.789 20 0 EHADLO CCCCc1nnc(NC(=O)C[NH+]2CCC(C)(C(C)C)CC2)s1 ZINC001193616931 1135159875 /nfs/dbraw/zinc/15/98/75/1135159875.db2.gz QLPYRGUHBFBOCZ-UHFFFAOYSA-N 1 2 338.521 3.577 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC001194158897 1135234868 /nfs/dbraw/zinc/23/48/68/1135234868.db2.gz OGHCXAMEIHUKHW-UHFFFAOYSA-N 1 2 335.451 3.647 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001194280842 1135248370 /nfs/dbraw/zinc/24/83/70/1135248370.db2.gz YLZPDEPPTFLXSJ-CYBMUJFWSA-N 1 2 328.815 3.580 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC001194280842 1135248376 /nfs/dbraw/zinc/24/83/76/1135248376.db2.gz YLZPDEPPTFLXSJ-CYBMUJFWSA-N 1 2 328.815 3.580 20 0 EHADLO CC[C@@H]1C[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484408 1135295384 /nfs/dbraw/zinc/29/53/84/1135295384.db2.gz NKFFBMAFRHRISL-HCAJQNDMSA-N 1 2 346.462 3.935 20 0 EHADLO CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484408 1135295387 /nfs/dbraw/zinc/29/53/87/1135295387.db2.gz NKFFBMAFRHRISL-HCAJQNDMSA-N 1 2 346.462 3.935 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H]3c3cccnc3)cc12 ZINC000805747070 1135317018 /nfs/dbraw/zinc/31/70/18/1135317018.db2.gz RCAVJYBPKYSESA-INIZCTEOSA-N 1 2 341.846 3.662 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H]3c3cccnc3)cc12 ZINC000805747070 1135317023 /nfs/dbraw/zinc/31/70/23/1135317023.db2.gz RCAVJYBPKYSESA-INIZCTEOSA-N 1 2 341.846 3.662 20 0 EHADLO CC(C)CCOC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001194863354 1135330984 /nfs/dbraw/zinc/33/09/84/1135330984.db2.gz FVFPFZCUJMBLPC-UHFFFAOYSA-N 1 2 327.428 3.540 20 0 EHADLO Cc1n[nH]c2cc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)ccc12 ZINC001194909296 1135338781 /nfs/dbraw/zinc/33/87/81/1135338781.db2.gz LCYVKYQINYXWBQ-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO Cc1cccc2c1[C@H](NC(=O)c1cccc(-c3c[nH+]cn3C)c1)CCO2 ZINC001194908335 1135338795 /nfs/dbraw/zinc/33/87/95/1135338795.db2.gz WPHMSZWPAGWTMV-QGZVFWFLSA-N 1 2 347.418 3.649 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC(C)(C)c4ccc(F)cc43)[nH+]c12 ZINC001130451219 1135361828 /nfs/dbraw/zinc/36/18/28/1135361828.db2.gz MOSHLRSPZNASGT-UHFFFAOYSA-N 1 2 337.398 3.649 20 0 EHADLO Cc1cccc(Cl)c1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC001195156032 1135383490 /nfs/dbraw/zinc/38/34/90/1135383490.db2.gz SVHOWQZXNAZXDU-UHFFFAOYSA-N 1 2 348.874 3.576 20 0 EHADLO Cc1cccc(Cl)c1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC001195156032 1135383493 /nfs/dbraw/zinc/38/34/93/1135383493.db2.gz SVHOWQZXNAZXDU-UHFFFAOYSA-N 1 2 348.874 3.576 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806129804 1135396245 /nfs/dbraw/zinc/39/62/45/1135396245.db2.gz JZYCSKDNTMLNRU-WMZOPIPTSA-N 1 2 338.842 3.835 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000806167105 1135406849 /nfs/dbraw/zinc/40/68/49/1135406849.db2.gz KRJKNQDMIJXZKC-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO COc1ccc(CCC[N@H+](C)Cn2nc(C(C)C)n(C)c2=S)cc1 ZINC000101903046 1135417992 /nfs/dbraw/zinc/41/79/92/1135417992.db2.gz CBWKIFQHQBLSLI-UHFFFAOYSA-N 1 2 348.516 3.605 20 0 EHADLO COc1ccc(CCC[N@@H+](C)Cn2nc(C(C)C)n(C)c2=S)cc1 ZINC000101903046 1135417995 /nfs/dbraw/zinc/41/79/95/1135417995.db2.gz CBWKIFQHQBLSLI-UHFFFAOYSA-N 1 2 348.516 3.605 20 0 EHADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C1CCCCCC1 ZINC001195612307 1135448267 /nfs/dbraw/zinc/44/82/67/1135448267.db2.gz CZUNRXACDMGNEV-ZWKOTPCHSA-N 1 2 337.504 3.970 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)on1 ZINC001195766831 1135462943 /nfs/dbraw/zinc/46/29/43/1135462943.db2.gz GSGSWYDBVIEJNZ-DGCLKSJQSA-N 1 2 347.846 3.625 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)on1 ZINC001195766831 1135462946 /nfs/dbraw/zinc/46/29/46/1135462946.db2.gz GSGSWYDBVIEJNZ-DGCLKSJQSA-N 1 2 347.846 3.625 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3ccc(F)cc3C)c[nH+]c12 ZINC001196128529 1135518353 /nfs/dbraw/zinc/51/83/53/1135518353.db2.gz DJWFBXQXSHCRRV-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2O)[NH+]2CCCC2)o1 ZINC000775689192 1135524501 /nfs/dbraw/zinc/52/45/01/1135524501.db2.gz AJVZGPWCEVELMD-HNNXBMFYSA-N 1 2 348.830 3.514 20 0 EHADLO CCOC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196314811 1135541816 /nfs/dbraw/zinc/54/18/16/1135541816.db2.gz XNDXCMMVNRFDRV-INIZCTEOSA-N 1 2 329.362 3.666 20 0 EHADLO CCOC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196314811 1135541820 /nfs/dbraw/zinc/54/18/20/1135541820.db2.gz XNDXCMMVNRFDRV-INIZCTEOSA-N 1 2 329.362 3.666 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c1Cl ZINC001196403328 1135556039 /nfs/dbraw/zinc/55/60/39/1135556039.db2.gz UJCSMSCRLABIOA-CYBMUJFWSA-N 1 2 337.847 3.660 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c1Cl ZINC001196403328 1135556044 /nfs/dbraw/zinc/55/60/44/1135556044.db2.gz UJCSMSCRLABIOA-CYBMUJFWSA-N 1 2 337.847 3.660 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC001131023924 1135562045 /nfs/dbraw/zinc/56/20/45/1135562045.db2.gz SHQGNQWEEWSSOD-CVEARBPZSA-N 1 2 330.472 3.863 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001196771874 1135613646 /nfs/dbraw/zinc/61/36/46/1135613646.db2.gz HQQXFSROVRQGJI-RISCZKNCSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001196771874 1135613649 /nfs/dbraw/zinc/61/36/49/1135613649.db2.gz HQQXFSROVRQGJI-RISCZKNCSA-N 1 2 342.842 3.967 20 0 EHADLO O=C(C1CCCCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000808087206 1135616246 /nfs/dbraw/zinc/61/62/46/1135616246.db2.gz PSERKLAJFIWSMZ-UHFFFAOYSA-N 1 2 349.544 3.968 20 0 EHADLO O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001196969919 1135630100 /nfs/dbraw/zinc/63/01/00/1135630100.db2.gz QBIQHIIXQZXPEI-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001196969919 1135630101 /nfs/dbraw/zinc/63/01/01/1135630101.db2.gz QBIQHIIXQZXPEI-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO CCOc1cc(OC)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001197307491 1135670501 /nfs/dbraw/zinc/67/05/01/1135670501.db2.gz JRXIGJYMXNLQOV-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001197352940 1135676976 /nfs/dbraw/zinc/67/69/76/1135676976.db2.gz MNDDVYBGOFNLTG-UHFFFAOYSA-N 1 2 338.411 3.564 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC001197412112 1135689377 /nfs/dbraw/zinc/68/93/77/1135689377.db2.gz ACHKPLHQXGZKNZ-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC001197412112 1135689380 /nfs/dbraw/zinc/68/93/80/1135689380.db2.gz ACHKPLHQXGZKNZ-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001197718969 1135723918 /nfs/dbraw/zinc/72/39/18/1135723918.db2.gz BYOKJTVEMRAYCV-HIFRSBDPSA-N 1 2 345.336 3.657 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001197718969 1135723922 /nfs/dbraw/zinc/72/39/22/1135723922.db2.gz BYOKJTVEMRAYCV-HIFRSBDPSA-N 1 2 345.336 3.657 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC001198000847 1135760166 /nfs/dbraw/zinc/76/01/66/1135760166.db2.gz KMLMMVAJNDTXKB-CYBMUJFWSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC001198000847 1135760167 /nfs/dbraw/zinc/76/01/67/1135760167.db2.gz KMLMMVAJNDTXKB-CYBMUJFWSA-N 1 2 329.271 3.873 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2cnc(Cl)s2)c1C(=O)OC ZINC000809376975 1135829420 /nfs/dbraw/zinc/82/94/20/1135829420.db2.gz CFLNVKVTYUXMOL-UHFFFAOYSA-N 1 2 340.832 3.818 20 0 EHADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001198640970 1135841853 /nfs/dbraw/zinc/84/18/53/1135841853.db2.gz KUCBVNAJFNCPMB-CYBMUJFWSA-N 1 2 341.846 3.690 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC1(F)F ZINC001203915591 1135846997 /nfs/dbraw/zinc/84/69/97/1135846997.db2.gz VCOLEBYAYNTXSO-CQSZACIVSA-N 1 2 344.377 3.560 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCC1(F)F ZINC001203915591 1135847001 /nfs/dbraw/zinc/84/70/01/1135847001.db2.gz VCOLEBYAYNTXSO-CQSZACIVSA-N 1 2 344.377 3.560 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000809617140 1135857947 /nfs/dbraw/zinc/85/79/47/1135857947.db2.gz IUUHWPAZHWBIOW-UHFFFAOYSA-N 1 2 336.844 3.621 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1Cc1ccc(C(C)C)nc1CC ZINC001198873136 1135864889 /nfs/dbraw/zinc/86/48/89/1135864889.db2.gz YNKZECPFFORDAM-GMBSWORKSA-N 1 2 330.472 3.683 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1Cc1ccc(C(C)C)nc1CC ZINC001198873136 1135864892 /nfs/dbraw/zinc/86/48/92/1135864892.db2.gz YNKZECPFFORDAM-GMBSWORKSA-N 1 2 330.472 3.683 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000809779453 1135889729 /nfs/dbraw/zinc/88/97/29/1135889729.db2.gz OJWUKMUDQZRDBY-AWEZNQCLSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000809779453 1135889733 /nfs/dbraw/zinc/88/97/33/1135889733.db2.gz OJWUKMUDQZRDBY-AWEZNQCLSA-N 1 2 348.340 3.555 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001131966878 1135906277 /nfs/dbraw/zinc/90/62/77/1135906277.db2.gz RZNSVRZLSYUSPK-UAPYVXQJSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810093016 1135923539 /nfs/dbraw/zinc/92/35/39/1135923539.db2.gz KEYLKICRAWRLJD-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810093016 1135923541 /nfs/dbraw/zinc/92/35/41/1135923541.db2.gz KEYLKICRAWRLJD-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810126918 1135924128 /nfs/dbraw/zinc/92/41/28/1135924128.db2.gz PAAFJSQZGWKGOX-AWEZNQCLSA-N 1 2 342.443 3.561 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810126557 1135924421 /nfs/dbraw/zinc/92/44/21/1135924421.db2.gz HDBGUUYSEZBIBK-AWEZNQCLSA-N 1 2 342.443 3.561 20 0 EHADLO C[C@@H](CC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1)n1cc[nH+]c1 ZINC001132093307 1135924446 /nfs/dbraw/zinc/92/44/46/1135924446.db2.gz MYMWAUBLEVEAQU-RXVVDRJESA-N 1 2 337.467 3.920 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129491 1135924994 /nfs/dbraw/zinc/92/49/94/1135924994.db2.gz GGYVQMGOBSCOGQ-AWEZNQCLSA-N 1 2 327.428 3.605 20 0 EHADLO CC[C@H](C)n1nc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776029021 1135934426 /nfs/dbraw/zinc/93/44/26/1135934426.db2.gz CATVTWXFMRFWTB-DZGCQCFKSA-N 1 2 346.479 3.595 20 0 EHADLO CC(C)C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378830 1135960540 /nfs/dbraw/zinc/96/05/40/1135960540.db2.gz IFYYGVGXRAPKNV-NWANDNLSSA-N 1 2 348.384 3.769 20 0 EHADLO CC(C)C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378830 1135960543 /nfs/dbraw/zinc/96/05/43/1135960543.db2.gz IFYYGVGXRAPKNV-NWANDNLSSA-N 1 2 348.384 3.769 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccccc1Cl ZINC000810539670 1135974760 /nfs/dbraw/zinc/97/47/60/1135974760.db2.gz WXGMYYCLGJUMTQ-UHFFFAOYSA-N 1 2 340.810 3.871 20 0 EHADLO S=C(NCCOc1cc[nH+]cc1)Nc1cc(Cl)cc(Cl)c1 ZINC001201005460 1135976723 /nfs/dbraw/zinc/97/67/23/1135976723.db2.gz HLLKPGMREIAVGD-UHFFFAOYSA-N 1 2 342.251 3.754 20 0 EHADLO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccon2)c1 ZINC000747622566 1135990626 /nfs/dbraw/zinc/99/06/26/1135990626.db2.gz QNANBZZBAXOCSG-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001201199829 1135995513 /nfs/dbraw/zinc/99/55/13/1135995513.db2.gz ZUXPFGWFSLBUKZ-UHFFFAOYSA-N 1 2 341.480 3.939 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000810822562 1136008509 /nfs/dbraw/zinc/00/85/09/1136008509.db2.gz VKCACGJKQCBSJJ-OAHLLOKOSA-N 1 2 349.233 3.850 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000810822562 1136008513 /nfs/dbraw/zinc/00/85/13/1136008513.db2.gz VKCACGJKQCBSJJ-OAHLLOKOSA-N 1 2 349.233 3.850 20 0 EHADLO Clc1ncncc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470011 1136024085 /nfs/dbraw/zinc/02/40/85/1136024085.db2.gz IROFQTIDYSXVAK-CVEARBPZSA-N 1 2 326.831 3.863 20 0 EHADLO Clc1ncncc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470011 1136024089 /nfs/dbraw/zinc/02/40/89/1136024089.db2.gz IROFQTIDYSXVAK-CVEARBPZSA-N 1 2 326.831 3.863 20 0 EHADLO CCOc1ncc(Cl)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001201510941 1136030619 /nfs/dbraw/zinc/03/06/19/1136030619.db2.gz MRIGIXBMROBATR-UHFFFAOYSA-N 1 2 347.846 3.710 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001132814801 1136087701 /nfs/dbraw/zinc/08/77/01/1136087701.db2.gz CRVCTYRSJBXKDH-AABGKKOBSA-N 1 2 331.419 3.544 20 0 EHADLO Cc1cccc(O[C@@H](C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815848 1136088023 /nfs/dbraw/zinc/08/80/23/1136088023.db2.gz VIYGVOIWVPPUBN-PXNSSMCTSA-N 1 2 349.434 3.517 20 0 EHADLO Cn1c(C[NH2+]Cc2ccnc(Cl)c2Cl)nc2cc(F)ccc21 ZINC000811481729 1136091350 /nfs/dbraw/zinc/09/13/50/1136091350.db2.gz LALWOSXFPCKQFB-UHFFFAOYSA-N 1 2 339.201 3.704 20 0 EHADLO OC1(c2ccc(F)cc2)C[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000811503420 1136100673 /nfs/dbraw/zinc/10/06/73/1136100673.db2.gz LDOWZIKGRUWXMJ-UHFFFAOYSA-N 1 2 334.394 3.591 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202207199 1136110607 /nfs/dbraw/zinc/11/06/07/1136110607.db2.gz LAYWDSJQXJVWSJ-HNNXBMFYSA-N 1 2 337.414 3.641 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNc1cc[nH+]cc1F ZINC000776266963 1136120598 /nfs/dbraw/zinc/12/05/98/1136120598.db2.gz YPFZSDYIQRKMDE-UHFFFAOYSA-N 1 2 334.757 3.541 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)N2CCn3c[nH+]cc3C2)c1Cl ZINC000811712095 1136123874 /nfs/dbraw/zinc/12/38/74/1136123874.db2.gz HOUJHMJULWNBEU-UHFFFAOYSA-N 1 2 341.267 3.711 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)[C@H]1C1CC1 ZINC000811746132 1136128474 /nfs/dbraw/zinc/12/84/74/1136128474.db2.gz SCNWKMGAKOKQDS-IRXDYDNUSA-N 1 2 334.410 3.706 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)[C@H]1C1CC1 ZINC000811746132 1136128477 /nfs/dbraw/zinc/12/84/77/1136128477.db2.gz SCNWKMGAKOKQDS-IRXDYDNUSA-N 1 2 334.410 3.706 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cscc1Cl ZINC001133032993 1136146591 /nfs/dbraw/zinc/14/65/91/1136146591.db2.gz NUKYWKZXLDTTOE-OAHLLOKOSA-N 1 2 331.828 3.769 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000747782844 1136195770 /nfs/dbraw/zinc/19/57/70/1136195770.db2.gz QNQSPWIWBUGMRN-UHFFFAOYSA-N 1 2 348.402 3.793 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1ccc(Br)cc1F ZINC000850130542 1136213076 /nfs/dbraw/zinc/21/30/76/1136213076.db2.gz ARAZXPOVIVDGEG-UHFFFAOYSA-N 1 2 326.213 3.655 20 0 EHADLO Cc1[nH]c(CNc2ccc(OC(F)F)cc2OC(F)F)[nH+]c1C ZINC000850208241 1136220936 /nfs/dbraw/zinc/22/09/36/1136220936.db2.gz HDCCSUWYWWQCAC-UHFFFAOYSA-N 1 2 333.285 3.841 20 0 EHADLO CCn1cnn(C[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797436 1136222910 /nfs/dbraw/zinc/22/29/10/1136222910.db2.gz DFLPHFVPDBGVLZ-KRWDZBQOSA-N 1 2 330.501 3.655 20 0 EHADLO CCn1cnn(C[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797436 1136222912 /nfs/dbraw/zinc/22/29/12/1136222912.db2.gz DFLPHFVPDBGVLZ-KRWDZBQOSA-N 1 2 330.501 3.655 20 0 EHADLO CCn1cnn(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797437 1136222933 /nfs/dbraw/zinc/22/29/33/1136222933.db2.gz DFLPHFVPDBGVLZ-QGZVFWFLSA-N 1 2 330.501 3.655 20 0 EHADLO CCn1cnn(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797437 1136222936 /nfs/dbraw/zinc/22/29/36/1136222936.db2.gz DFLPHFVPDBGVLZ-QGZVFWFLSA-N 1 2 330.501 3.655 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH+]3CC(c4ccccc4F)C3)cc12 ZINC000812791335 1136248115 /nfs/dbraw/zinc/24/81/15/1136248115.db2.gz SHPQPATVVQWBLX-UHFFFAOYSA-N 1 2 344.821 3.669 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747833466 1136280198 /nfs/dbraw/zinc/28/01/98/1136280198.db2.gz WVULBSZGQZSBHM-CVEARBPZSA-N 1 2 345.468 3.579 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747833466 1136280200 /nfs/dbraw/zinc/28/02/00/1136280200.db2.gz WVULBSZGQZSBHM-CVEARBPZSA-N 1 2 345.468 3.579 20 0 EHADLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2cccc3ccccc32)c1 ZINC000747834218 1136281761 /nfs/dbraw/zinc/28/17/61/1136281761.db2.gz PZBXTWZRUANFOR-UHFFFAOYSA-N 1 2 347.418 3.588 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001133738897 1136324593 /nfs/dbraw/zinc/32/45/93/1136324593.db2.gz LQKHLWDNJRLDKE-OAQYLSRUSA-N 1 2 347.462 3.929 20 0 EHADLO Cc1csc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000173190303 1136341371 /nfs/dbraw/zinc/34/13/71/1136341371.db2.gz VVSRBKOKNYKLSR-MRXNPFEDSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1csc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000173190303 1136341374 /nfs/dbraw/zinc/34/13/74/1136341374.db2.gz VVSRBKOKNYKLSR-MRXNPFEDSA-N 1 2 344.484 3.628 20 0 EHADLO CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000747861186 1136350903 /nfs/dbraw/zinc/35/09/03/1136350903.db2.gz PRRRVOUNGQIPFL-MRXNPFEDSA-N 1 2 327.428 3.658 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1(c2ccccc2)CC1 ZINC000851397025 1136376325 /nfs/dbraw/zinc/37/63/25/1136376325.db2.gz AVTJKNDAAORQQT-UHFFFAOYSA-N 1 2 336.435 3.573 20 0 EHADLO C[C@@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000851398556 1136376398 /nfs/dbraw/zinc/37/63/98/1136376398.db2.gz BLSGCCPHCATXSX-OAHLLOKOSA-N 1 2 342.414 3.784 20 0 EHADLO C[C@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000851399701 1136376765 /nfs/dbraw/zinc/37/67/65/1136376765.db2.gz ZMPGESBQAPJABU-AWEZNQCLSA-N 1 2 330.453 3.706 20 0 EHADLO O=C(OCCC[C@H]1CCCCC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000813961340 1136379128 /nfs/dbraw/zinc/37/91/28/1136379128.db2.gz YSQZQKNJZFDZJR-OAHLLOKOSA-N 1 2 326.396 3.569 20 0 EHADLO C[NH+](C)[C@H](C(=O)OC[C@@H]1CC[C@H](c2ccccc2)O1)c1ccccc1 ZINC000814058561 1136391149 /nfs/dbraw/zinc/39/11/49/1136391149.db2.gz VPBXKYWNLGQTTH-ZCNNSNEGSA-N 1 2 339.435 3.753 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccccc2C)c1 ZINC000851789693 1136407514 /nfs/dbraw/zinc/40/75/14/1136407514.db2.gz CTGOTOCCYLPCKM-ZDUSSCGKSA-N 1 2 343.452 3.591 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731494 1136413237 /nfs/dbraw/zinc/41/32/37/1136413237.db2.gz QYYIQLXFOQRDHE-YVSFHVDLSA-N 1 2 335.875 3.838 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(=S)s1 ZINC000814225515 1136425492 /nfs/dbraw/zinc/42/54/92/1136425492.db2.gz ISGDKINEBDZDAW-AWEZNQCLSA-N 1 2 334.514 3.577 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(=S)s1 ZINC000814225515 1136425495 /nfs/dbraw/zinc/42/54/95/1136425495.db2.gz ISGDKINEBDZDAW-AWEZNQCLSA-N 1 2 334.514 3.577 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000814373842 1136446733 /nfs/dbraw/zinc/44/67/33/1136446733.db2.gz XBTSNDCZCCZSII-IRXDYDNUSA-N 1 2 345.487 3.945 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000852573627 1136467823 /nfs/dbraw/zinc/46/78/23/1136467823.db2.gz PYOJCHSWRGTFSH-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000852573627 1136467826 /nfs/dbraw/zinc/46/78/26/1136467826.db2.gz PYOJCHSWRGTFSH-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948193 1136468695 /nfs/dbraw/zinc/46/86/95/1136468695.db2.gz OIWUPGYJQAEVFP-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948193 1136468697 /nfs/dbraw/zinc/46/86/97/1136468697.db2.gz OIWUPGYJQAEVFP-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC000852599164 1136469892 /nfs/dbraw/zinc/46/98/92/1136469892.db2.gz GCHWJXXOGOFUFT-DOMZBBRYSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC000852599164 1136469894 /nfs/dbraw/zinc/46/98/94/1136469894.db2.gz GCHWJXXOGOFUFT-DOMZBBRYSA-N 1 2 339.505 3.577 20 0 EHADLO CCc1oc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C(=O)OC ZINC000338949091 1136471685 /nfs/dbraw/zinc/47/16/85/1136471685.db2.gz UTSRPZNVKKZZAH-UHFFFAOYSA-N 1 2 343.358 3.566 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138004827 1136481531 /nfs/dbraw/zinc/48/15/31/1136481531.db2.gz IIHNGANCDCBFQV-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138004827 1136481535 /nfs/dbraw/zinc/48/15/35/1136481535.db2.gz IIHNGANCDCBFQV-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000814678299 1136489831 /nfs/dbraw/zinc/48/98/31/1136489831.db2.gz SMNCRBCDYHEPFV-QGZVFWFLSA-N 1 2 338.455 3.868 20 0 EHADLO CCCc1ccc(Nc2c3c(nn2C(=O)OCC)C(C)(C)[NH2+]C3)cc1 ZINC001170759466 1136493442 /nfs/dbraw/zinc/49/34/42/1136493442.db2.gz CKBITDCCPOHVSV-UHFFFAOYSA-N 1 2 342.443 3.922 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)n1 ZINC000747971940 1136500354 /nfs/dbraw/zinc/50/03/54/1136500354.db2.gz XJYFLZOCYMSUIY-HOTGVXAUSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)n1 ZINC000747971940 1136500356 /nfs/dbraw/zinc/50/03/56/1136500356.db2.gz XJYFLZOCYMSUIY-HOTGVXAUSA-N 1 2 328.460 3.521 20 0 EHADLO O[C@H](C[N@@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067012 1136505254 /nfs/dbraw/zinc/50/52/54/1136505254.db2.gz MXBRCCXXIXTIMC-MSOLQXFVSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@H](C[N@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067012 1136505257 /nfs/dbraw/zinc/50/52/57/1136505257.db2.gz MXBRCCXXIXTIMC-MSOLQXFVSA-N 1 2 330.378 3.620 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccn1CCC(C)C ZINC000338954441 1136508998 /nfs/dbraw/zinc/50/89/98/1136508998.db2.gz ZDFMLIVZILBGHL-UHFFFAOYSA-N 1 2 347.528 3.734 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccn1CCC(C)C ZINC000338954441 1136508999 /nfs/dbraw/zinc/50/89/99/1136508999.db2.gz ZDFMLIVZILBGHL-UHFFFAOYSA-N 1 2 347.528 3.734 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000338954475 1136510374 /nfs/dbraw/zinc/51/03/74/1136510374.db2.gz ZTCHOXKSEWHJLF-ZDUSSCGKSA-N 1 2 348.270 3.629 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000338954475 1136510377 /nfs/dbraw/zinc/51/03/77/1136510377.db2.gz ZTCHOXKSEWHJLF-ZDUSSCGKSA-N 1 2 348.270 3.629 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000853378107 1136528904 /nfs/dbraw/zinc/52/89/04/1136528904.db2.gz RBMGVXWCCZHXTH-LLVKDONJSA-N 1 2 338.329 3.989 20 0 EHADLO Cc1nc(NCc2cc(Cl)ccn2)c(Br)c(C)[nH+]1 ZINC000853469112 1136535144 /nfs/dbraw/zinc/53/51/44/1136535144.db2.gz FFSBFSJGPLKMRU-UHFFFAOYSA-N 1 2 327.613 3.516 20 0 EHADLO CC(C)[C@H]1CCc2nc(NC(=O)C[C@H](C)n3cc[nH+]c3)sc2C1 ZINC001134833443 1136538620 /nfs/dbraw/zinc/53/86/20/1136538620.db2.gz NNDZFBGAASYDEV-STQMWFEESA-N 1 2 332.473 3.690 20 0 EHADLO CCc1oc(C[NH2+]Cc2oc3ccccc3c2OC)cc1C(=O)OC ZINC000338956268 1136539250 /nfs/dbraw/zinc/53/92/50/1136539250.db2.gz WQHRJQCYADGRPS-UHFFFAOYSA-N 1 2 343.379 3.673 20 0 EHADLO COc1ccc(C[NH2+]Cc2cnn(C)c2Cl)c(OC2CCCC2)c1 ZINC000815128886 1136554595 /nfs/dbraw/zinc/55/45/95/1136554595.db2.gz PYAXDLNRZBAVQI-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO O[C@H](C[N@@H+]1CCSC[C@H]1c1nccs1)c1cc2ccccc2o1 ZINC000815095304 1136555521 /nfs/dbraw/zinc/55/55/21/1136555521.db2.gz VANGMVUKDXAYFW-UONOGXRCSA-N 1 2 346.477 3.713 20 0 EHADLO O[C@H](C[N@H+]1CCSC[C@H]1c1nccs1)c1cc2ccccc2o1 ZINC000815095304 1136555522 /nfs/dbraw/zinc/55/55/22/1136555522.db2.gz VANGMVUKDXAYFW-UONOGXRCSA-N 1 2 346.477 3.713 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3c(F)cc(F)cc3F)c1)O[C@H](C)C2 ZINC000815151774 1136557445 /nfs/dbraw/zinc/55/74/45/1136557445.db2.gz CMCWQHYOPSZREB-SNVBAGLBSA-N 1 2 337.341 3.726 20 0 EHADLO CC(C)[C@H](F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000854106680 1136588111 /nfs/dbraw/zinc/58/81/11/1136588111.db2.gz AMEDIWDFBGJVBI-BPUTZDHNSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)[C@H](F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000854106680 1136588113 /nfs/dbraw/zinc/58/81/13/1136588113.db2.gz AMEDIWDFBGJVBI-BPUTZDHNSA-N 1 2 333.407 3.698 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000854343569 1136608994 /nfs/dbraw/zinc/60/89/94/1136608994.db2.gz MZIZMNVEVXGOAA-STTHAQSSSA-N 1 2 339.439 3.622 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000815567321 1136611904 /nfs/dbraw/zinc/61/19/04/1136611904.db2.gz ULMVAKOJZDWJTL-SJKOYZFVSA-N 1 2 328.366 3.566 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc2c(c1)CCCO2 ZINC000815658027 1136622934 /nfs/dbraw/zinc/62/29/34/1136622934.db2.gz QKLSCTXNLJEFGW-LJQANCHMSA-N 1 2 348.450 3.833 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cnc2c(F)ccc(F)c2c1 ZINC000815988890 1136660179 /nfs/dbraw/zinc/66/01/79/1136660179.db2.gz ZOEUNFTYEVPHCX-UHFFFAOYSA-N 1 2 339.301 3.518 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338965421 1136663196 /nfs/dbraw/zinc/66/31/96/1136663196.db2.gz GAQHACHBZNUCJG-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338965421 1136663200 /nfs/dbraw/zinc/66/32/00/1136663200.db2.gz GAQHACHBZNUCJG-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO CCC1(CC)[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000776823324 1136708743 /nfs/dbraw/zinc/70/87/43/1136708743.db2.gz AVOKLCAHLIUTMQ-OALUTQOASA-N 1 2 332.488 3.653 20 0 EHADLO CCC1(CC)[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000776823324 1136708746 /nfs/dbraw/zinc/70/87/46/1136708746.db2.gz AVOKLCAHLIUTMQ-OALUTQOASA-N 1 2 332.488 3.653 20 0 EHADLO CC(Cl)(Cl)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816399039 1136709780 /nfs/dbraw/zinc/70/97/80/1136709780.db2.gz MCXBWVBKTSRINP-LLVKDONJSA-N 1 2 344.286 3.625 20 0 EHADLO CC(Cl)(Cl)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816399039 1136709783 /nfs/dbraw/zinc/70/97/83/1136709783.db2.gz MCXBWVBKTSRINP-LLVKDONJSA-N 1 2 344.286 3.625 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000816521191 1136727011 /nfs/dbraw/zinc/72/70/11/1136727011.db2.gz JPEIICVNNAZXST-UXHICEINSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000816521191 1136727013 /nfs/dbraw/zinc/72/70/13/1136727013.db2.gz JPEIICVNNAZXST-UXHICEINSA-N 1 2 345.870 3.973 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)CC(C)(C)NC(=O)OC(C)(C)C ZINC000816651600 1136744877 /nfs/dbraw/zinc/74/48/77/1136744877.db2.gz LCOVHGUGNUFVSO-UHFFFAOYSA-N 1 2 328.403 3.700 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)CC(C)(C)NC(=O)OC(C)(C)C ZINC000816651600 1136744880 /nfs/dbraw/zinc/74/48/80/1136744880.db2.gz LCOVHGUGNUFVSO-UHFFFAOYSA-N 1 2 328.403 3.700 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCOc2cc(Cl)cc(Cl)c2)no1 ZINC000265997253 1136777257 /nfs/dbraw/zinc/77/72/57/1136777257.db2.gz MAIBMRMJKXQMSM-UHFFFAOYSA-N 1 2 330.215 3.589 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817363880 1136802879 /nfs/dbraw/zinc/80/28/79/1136802879.db2.gz ANSYJFZYRJWICF-JTQLQIEISA-N 1 2 348.752 3.870 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817363880 1136802883 /nfs/dbraw/zinc/80/28/83/1136802883.db2.gz ANSYJFZYRJWICF-JTQLQIEISA-N 1 2 348.752 3.870 20 0 EHADLO Cc1csc(N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)n1 ZINC000266003473 1136822515 /nfs/dbraw/zinc/82/25/15/1136822515.db2.gz HOBXYPYHYCKOMD-UHFFFAOYSA-N 1 2 338.436 3.506 20 0 EHADLO CC(C)(C)C(=O)c1ccsc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776931002 1136862862 /nfs/dbraw/zinc/86/28/62/1136862862.db2.gz HBBKONCOQOODSJ-UHFFFAOYSA-N 1 2 327.409 3.877 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ncc(Cl)n1C ZINC000818231403 1136868272 /nfs/dbraw/zinc/86/82/72/1136868272.db2.gz QKQCWCMGROMHPV-UHFFFAOYSA-N 1 2 328.243 3.760 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c(Cl)c1 ZINC000818333641 1136871462 /nfs/dbraw/zinc/87/14/62/1136871462.db2.gz ZKKKHZQIMWAYRH-JTQLQIEISA-N 1 2 325.865 3.722 20 0 EHADLO O=C(CC[N@@H+]1Cc2ccncc2C1)Nc1cc(Cl)ccc1Cl ZINC000857879155 1136917349 /nfs/dbraw/zinc/91/73/49/1136917349.db2.gz ZYPTWHPHEUGKSV-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(CC[N@H+]1Cc2ccncc2C1)Nc1cc(Cl)ccc1Cl ZINC000857879155 1136917353 /nfs/dbraw/zinc/91/73/53/1136917353.db2.gz ZYPTWHPHEUGKSV-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000339008419 1136918132 /nfs/dbraw/zinc/91/81/32/1136918132.db2.gz QFPPZVIQLMSAGN-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000339008419 1136918134 /nfs/dbraw/zinc/91/81/34/1136918134.db2.gz QFPPZVIQLMSAGN-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1[C@@H](C)c1ccccc1 ZINC000857984159 1136927579 /nfs/dbraw/zinc/92/75/79/1136927579.db2.gz GTWLQLWHXAMBFC-KXBFYZLASA-N 1 2 348.450 3.786 20 0 EHADLO CC(F)(F)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819332217 1136931957 /nfs/dbraw/zinc/93/19/57/1136931957.db2.gz OJRFYNMTTGNCFG-LLVKDONJSA-N 1 2 342.611 3.555 20 0 EHADLO Cc1cc(NC[C@@H](O)c2cccc(Br)c2)ccc1[NH+](C)C ZINC000819408175 1136936835 /nfs/dbraw/zinc/93/68/35/1136936835.db2.gz MXAFVDKHQXCISA-QGZVFWFLSA-N 1 2 349.272 3.969 20 0 EHADLO Cc1ccc2oc(C[NH2+]Cc3cn(C)nc3Br)cc2c1 ZINC000858193745 1136948608 /nfs/dbraw/zinc/94/86/08/1136948608.db2.gz JAJOZKZXXDVAEH-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO CC(C)[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000819883435 1136964997 /nfs/dbraw/zinc/96/49/97/1136964997.db2.gz XBZQUUFNPWGDQG-PXNSSMCTSA-N 1 2 348.450 3.840 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)n1 ZINC000858427944 1136967052 /nfs/dbraw/zinc/96/70/52/1136967052.db2.gz MBSBETZSSUWJKS-VIFPVBQESA-N 1 2 330.329 3.615 20 0 EHADLO O[C@H](C[C@@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12)c1ccco1 ZINC000858443433 1136967993 /nfs/dbraw/zinc/96/79/93/1136967993.db2.gz CUSLNGKWGWNCJT-KBXCAEBGSA-N 1 2 348.406 3.568 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCc3ccc(Cl)cc32)c[nH+]1 ZINC000858524100 1136975988 /nfs/dbraw/zinc/97/59/88/1136975988.db2.gz DXNTUGJBHSMGPJ-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO Cc1ccc2cc([C@@H](C)[NH2+]C(c3ccnn3C)c3ccnn3C)oc2c1 ZINC000858584824 1136980675 /nfs/dbraw/zinc/98/06/75/1136980675.db2.gz XAXILXLWIGENJD-CQSZACIVSA-N 1 2 349.438 3.648 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@]3(C)Br)c2)[nH+]c1C ZINC000858741090 1136989958 /nfs/dbraw/zinc/98/99/58/1136989958.db2.gz XNQMRWXPJQRHAM-CZUORRHYSA-N 1 2 348.244 3.806 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)OCc1ccc(Cl)cc1 ZINC000858917083 1136996971 /nfs/dbraw/zinc/99/69/71/1136996971.db2.gz IHAWWJDAYDVLOX-UHFFFAOYSA-N 1 2 330.815 3.582 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1C ZINC000858928471 1136997259 /nfs/dbraw/zinc/99/72/59/1136997259.db2.gz WKUKGNNYNVQVAW-IRXDYDNUSA-N 1 2 342.414 3.656 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000820659098 1137000207 /nfs/dbraw/zinc/00/02/07/1137000207.db2.gz UVSUFFCRPLNZQZ-GOSISDBHSA-N 1 2 349.434 3.970 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3cc(Cl)n(C)n3)ccc2c1 ZINC000859059306 1137001704 /nfs/dbraw/zinc/00/17/04/1137001704.db2.gz QDQKKMQQHGAWRC-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3cc(Cl)n(C)n3)ccc2c1 ZINC000859059306 1137001706 /nfs/dbraw/zinc/00/17/06/1137001706.db2.gz QDQKKMQQHGAWRC-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859089364 1137002778 /nfs/dbraw/zinc/00/27/78/1137002778.db2.gz NNCDGMUWEOJJQH-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H]1CCN(C(=O)c2sccc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000820861136 1137006910 /nfs/dbraw/zinc/00/69/10/1137006910.db2.gz PZTYTWLCVHEUQN-CMPLNLGQSA-N 1 2 325.384 3.606 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000820869782 1137007222 /nfs/dbraw/zinc/00/72/22/1137007222.db2.gz YBPJIXUQLCVLPL-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000820869782 1137007224 /nfs/dbraw/zinc/00/72/24/1137007224.db2.gz YBPJIXUQLCVLPL-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO CCc1cccc2[nH]c(C(=O)NCCCCNc3cccc[nH+]3)cc21 ZINC000859221259 1137008426 /nfs/dbraw/zinc/00/84/26/1137008426.db2.gz LDSOUDZCYIVDQA-UHFFFAOYSA-N 1 2 336.439 3.747 20 0 EHADLO Cn1nc(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Cl ZINC000859345454 1137012280 /nfs/dbraw/zinc/01/22/80/1137012280.db2.gz DXYMILSOJDBEPD-MRXNPFEDSA-N 1 2 333.863 3.643 20 0 EHADLO Cn1nc(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Cl ZINC000859345454 1137012281 /nfs/dbraw/zinc/01/22/81/1137012281.db2.gz DXYMILSOJDBEPD-MRXNPFEDSA-N 1 2 333.863 3.643 20 0 EHADLO CC(C)c1cnc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)o1 ZINC000860012084 1137040737 /nfs/dbraw/zinc/04/07/37/1137040737.db2.gz CMSMDJSHAUYYTM-UHFFFAOYSA-N 1 2 338.455 3.597 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000821876919 1137041418 /nfs/dbraw/zinc/04/14/18/1137041418.db2.gz XAARSSKSTBQGQX-GOSISDBHSA-N 1 2 345.406 3.807 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccns1 ZINC000860057417 1137042638 /nfs/dbraw/zinc/04/26/38/1137042638.db2.gz RWQWYYIJHXGPCF-GFCCVEGCSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccns1 ZINC000860057418 1137042660 /nfs/dbraw/zinc/04/26/60/1137042660.db2.gz RWQWYYIJHXGPCF-LBPRGKRZSA-N 1 2 342.443 3.807 20 0 EHADLO CC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCC1 ZINC001136519184 1137043348 /nfs/dbraw/zinc/04/33/48/1137043348.db2.gz JAZMPEURNCGWSJ-KRWDZBQOSA-N 1 2 327.428 3.667 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)OC(C)(C)C ZINC000860098667 1137044191 /nfs/dbraw/zinc/04/41/91/1137044191.db2.gz YXBYFNMBWXFQQO-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)OC(C)(C)C ZINC000860098667 1137044192 /nfs/dbraw/zinc/04/41/92/1137044192.db2.gz YXBYFNMBWXFQQO-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000117320354 1137050361 /nfs/dbraw/zinc/05/03/61/1137050361.db2.gz MWEYGULFTFSHDX-GOSISDBHSA-N 1 2 341.484 3.782 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000117320354 1137050363 /nfs/dbraw/zinc/05/03/63/1137050363.db2.gz MWEYGULFTFSHDX-GOSISDBHSA-N 1 2 341.484 3.782 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1conc1C(C)C ZINC000860229887 1137050917 /nfs/dbraw/zinc/05/09/17/1137050917.db2.gz QEORMUHWJNVHNF-UHFFFAOYSA-N 1 2 325.368 3.649 20 0 EHADLO CC[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccc(Br)cc1 ZINC000860274307 1137053055 /nfs/dbraw/zinc/05/30/55/1137053055.db2.gz VSVHRFPRSUEBLK-AWEZNQCLSA-N 1 2 349.228 3.663 20 0 EHADLO O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H]1C1CCC1 ZINC001136585986 1137059676 /nfs/dbraw/zinc/05/96/76/1137059676.db2.gz AROCIUWDERDKOG-FGTMMUONSA-N 1 2 327.472 3.843 20 0 EHADLO CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000860810165 1137079482 /nfs/dbraw/zinc/07/94/82/1137079482.db2.gz FCDZNXRZGFJJDP-UHFFFAOYSA-N 1 2 328.407 3.649 20 0 EHADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823442414 1137099540 /nfs/dbraw/zinc/09/95/40/1137099540.db2.gz PRCUTTHPPUYILT-HXUWFJFHSA-N 1 2 337.398 3.939 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cnc(Cl)cn1 ZINC000823503441 1137102983 /nfs/dbraw/zinc/10/29/83/1137102983.db2.gz RTWDTGWAQKFRCJ-UHFFFAOYSA-N 1 2 326.227 3.817 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000861614071 1137114632 /nfs/dbraw/zinc/11/46/32/1137114632.db2.gz VAHNDHGKKIBBDF-CQSZACIVSA-N 1 2 349.866 3.730 20 0 EHADLO CCCCCn1cc(C(=O)OCCn2cc[nH+]c2)c2ccccc21 ZINC000777214901 1137118913 /nfs/dbraw/zinc/11/89/13/1137118913.db2.gz UPIJDBYZEXTNPF-UHFFFAOYSA-N 1 2 325.412 3.885 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000823921413 1137119874 /nfs/dbraw/zinc/11/98/74/1137119874.db2.gz FFMGYIVZQFBHPL-LJQANCHMSA-N 1 2 338.430 3.819 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(F)c2SC)c1C ZINC000824343255 1137133506 /nfs/dbraw/zinc/13/35/06/1137133506.db2.gz VYCBRTPGBYXNIF-UHFFFAOYSA-N 1 2 349.431 3.890 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccnc(F)c1C ZINC000862248665 1137135080 /nfs/dbraw/zinc/13/50/80/1137135080.db2.gz OYSMYEBVXNJZMM-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccnc(F)c1C ZINC000862248665 1137135081 /nfs/dbraw/zinc/13/50/81/1137135081.db2.gz OYSMYEBVXNJZMM-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527551 1137141447 /nfs/dbraw/zinc/14/14/47/1137141447.db2.gz WEFPPTXZBBFHGH-WMLDXEAASA-N 1 2 330.451 3.739 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(C(F)(F)F)nc1Cl ZINC000862379360 1137141541 /nfs/dbraw/zinc/14/15/41/1137141541.db2.gz KVLREZBFZARGRE-MRVPVSSYSA-N 1 2 334.725 3.690 20 0 EHADLO CC(C)c1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC001136892679 1137141707 /nfs/dbraw/zinc/14/17/07/1137141707.db2.gz HNTVZANJHQOAIF-OAHLLOKOSA-N 1 2 343.471 3.902 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171058893 1137142268 /nfs/dbraw/zinc/14/22/68/1137142268.db2.gz MEVZIANWVLDZTB-LBPRGKRZSA-N 1 2 330.255 3.782 20 0 EHADLO Cc1ccccc1C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824673329 1137147705 /nfs/dbraw/zinc/14/77/05/1137147705.db2.gz QFOGKMDKQLCNOK-CQSZACIVSA-N 1 2 328.403 3.633 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136925867 1137149659 /nfs/dbraw/zinc/14/96/59/1137149659.db2.gz VOZJTQQWPYQEPL-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136925867 1137149661 /nfs/dbraw/zinc/14/96/61/1137149661.db2.gz VOZJTQQWPYQEPL-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946224 1137153185 /nfs/dbraw/zinc/15/31/85/1137153185.db2.gz RBDNSKWKVSWSEQ-OAHLLOKOSA-N 1 2 334.419 3.895 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946224 1137153186 /nfs/dbraw/zinc/15/31/86/1137153186.db2.gz RBDNSKWKVSWSEQ-OAHLLOKOSA-N 1 2 334.419 3.895 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000825005857 1137159986 /nfs/dbraw/zinc/15/99/86/1137159986.db2.gz UEIISWULTHNZDT-ZDUSSCGKSA-N 1 2 343.862 3.808 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc2n1CCCCC2 ZINC000014307742 1137160422 /nfs/dbraw/zinc/16/04/22/1137160422.db2.gz MKURQKPYPIBNGO-MRXNPFEDSA-N 1 2 328.485 3.935 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc2n1CCCCC2 ZINC000014307742 1137160423 /nfs/dbraw/zinc/16/04/23/1137160423.db2.gz MKURQKPYPIBNGO-MRXNPFEDSA-N 1 2 328.485 3.935 20 0 EHADLO Cc1cccc(F)c1CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001136972327 1137161055 /nfs/dbraw/zinc/16/10/55/1137161055.db2.gz JBMFRXIIQSPDLL-UHFFFAOYSA-N 1 2 335.382 3.625 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ncc(-c2cccs2)o1 ZINC000429551894 1137162448 /nfs/dbraw/zinc/16/24/48/1137162448.db2.gz GQXHZVUJERZDNT-UHFFFAOYSA-N 1 2 328.441 3.568 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001136980615 1137162784 /nfs/dbraw/zinc/16/27/84/1137162784.db2.gz NSIOJTQBUSWREQ-QGZVFWFLSA-N 1 2 325.387 3.699 20 0 EHADLO Fc1cccc2[nH]cc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c21 ZINC001136988314 1137165337 /nfs/dbraw/zinc/16/53/37/1137165337.db2.gz AUZPQVNXIAKMJM-INIZCTEOSA-N 1 2 337.389 3.612 20 0 EHADLO COc1ncc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1C ZINC001137008419 1137170146 /nfs/dbraw/zinc/17/01/46/1137170146.db2.gz WUYWUPPEFGWXHA-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO COc1ncc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1C ZINC001137008419 1137170147 /nfs/dbraw/zinc/17/01/47/1137170147.db2.gz WUYWUPPEFGWXHA-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341231 1137181798 /nfs/dbraw/zinc/18/17/98/1137181798.db2.gz QDNYJOJPJDKGOS-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341231 1137181800 /nfs/dbraw/zinc/18/18/00/1137181800.db2.gz QDNYJOJPJDKGOS-ABCZVMIZSA-N 1 2 343.500 3.649 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(c3noc(C)n3)CC2)c1Cl ZINC001143371247 1137183434 /nfs/dbraw/zinc/18/34/34/1137183434.db2.gz KQLSILDJOALXAH-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000863375148 1137183818 /nfs/dbraw/zinc/18/38/18/1137183818.db2.gz ZPQKWYSFXAXQEJ-USXIJHARSA-N 1 2 345.817 3.594 20 0 EHADLO Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001143680904 1137188930 /nfs/dbraw/zinc/18/89/30/1137188930.db2.gz OGVHQTHBPNZIKQ-ZDUSSCGKSA-N 1 2 334.332 3.539 20 0 EHADLO Cc1ccc(C(F)(F)F)c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001143680904 1137188931 /nfs/dbraw/zinc/18/89/31/1137188931.db2.gz OGVHQTHBPNZIKQ-ZDUSSCGKSA-N 1 2 334.332 3.539 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001143699322 1137190679 /nfs/dbraw/zinc/19/06/79/1137190679.db2.gz WTSQFXBBVGVFBB-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001143699322 1137190680 /nfs/dbraw/zinc/19/06/80/1137190680.db2.gz WTSQFXBBVGVFBB-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)C(=O)OCc1ccccc1 ZINC001171097263 1137191872 /nfs/dbraw/zinc/19/18/72/1137191872.db2.gz XHOMEPZJSWUJLV-IFXJQAMLSA-N 1 2 343.854 3.919 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2[nH+]cc(OC)c3cc[nH]c32)c1 ZINC001171101429 1137196992 /nfs/dbraw/zinc/19/69/92/1137196992.db2.gz GWFLIQOJKAELDC-LLVKDONJSA-N 1 2 325.368 3.531 20 0 EHADLO Cc1cccc2c1C[C@H](c1nc(Cc3cn4cccc(C)c4[nH+]3)no1)N2 ZINC000863662889 1137197661 /nfs/dbraw/zinc/19/76/61/1137197661.db2.gz XNOXYTRHYGINHF-QGZVFWFLSA-N 1 2 345.406 3.634 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2c1cnn2CC ZINC001143760624 1137197954 /nfs/dbraw/zinc/19/79/54/1137197954.db2.gz ATSCTTKQRDMQNJ-HNNXBMFYSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2c1cnn2CC ZINC001143760624 1137197955 /nfs/dbraw/zinc/19/79/55/1137197955.db2.gz ATSCTTKQRDMQNJ-HNNXBMFYSA-N 1 2 349.425 3.626 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(CC(C2CCC2)C2CCC2)n1 ZINC000863676973 1137199000 /nfs/dbraw/zinc/19/90/00/1137199000.db2.gz KOPABYLMANHRBJ-HNNXBMFYSA-N 1 2 349.475 3.560 20 0 EHADLO CCCO[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143818415 1137201214 /nfs/dbraw/zinc/20/12/14/1137201214.db2.gz IKKRUQXTRUUNIC-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CCCO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143818415 1137201215 /nfs/dbraw/zinc/20/12/15/1137201215.db2.gz IKKRUQXTRUUNIC-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1F ZINC001143832743 1137204226 /nfs/dbraw/zinc/20/42/26/1137204226.db2.gz IGVWTHJOTQRVTM-OAHLLOKOSA-N 1 2 349.780 3.878 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1F ZINC001143832743 1137204227 /nfs/dbraw/zinc/20/42/27/1137204227.db2.gz IGVWTHJOTQRVTM-OAHLLOKOSA-N 1 2 349.780 3.878 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ncccc3C2)cc1OC(F)(F)F ZINC001143873552 1137207868 /nfs/dbraw/zinc/20/78/68/1137207868.db2.gz ULGMESVGTOLHJS-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ncccc3C2)cc1OC(F)(F)F ZINC001143873552 1137207870 /nfs/dbraw/zinc/20/78/70/1137207870.db2.gz ULGMESVGTOLHJS-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000844301576 1137210432 /nfs/dbraw/zinc/21/04/32/1137210432.db2.gz YFCXAEUHRMAQDP-RYUDHWBXSA-N 1 2 348.353 3.883 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c(F)c1F ZINC001143918257 1137214923 /nfs/dbraw/zinc/21/49/23/1137214923.db2.gz XNUGCSPUPSXPHC-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c(F)c1F ZINC001143918257 1137214925 /nfs/dbraw/zinc/21/49/25/1137214925.db2.gz XNUGCSPUPSXPHC-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](CC)CO1 ZINC000844383962 1137215932 /nfs/dbraw/zinc/21/59/32/1137215932.db2.gz BHKVFPQXOUTHNY-HUUCEWRRSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](CC)CO1 ZINC000844383962 1137215933 /nfs/dbraw/zinc/21/59/33/1137215933.db2.gz BHKVFPQXOUTHNY-HUUCEWRRSA-N 1 2 329.362 3.821 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001143930200 1137217726 /nfs/dbraw/zinc/21/77/26/1137217726.db2.gz CJQDFWGYVKURPB-MWLCHTKSSA-N 1 2 341.295 3.943 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001143930200 1137217727 /nfs/dbraw/zinc/21/77/27/1137217727.db2.gz CJQDFWGYVKURPB-MWLCHTKSSA-N 1 2 341.295 3.943 20 0 EHADLO COc1ccc(F)c(C[N@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001143977287 1137223065 /nfs/dbraw/zinc/22/30/65/1137223065.db2.gz CTXLPWWRVFMHDH-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO COc1ccc(F)c(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001143977287 1137223066 /nfs/dbraw/zinc/22/30/66/1137223066.db2.gz CTXLPWWRVFMHDH-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844441136 1137223385 /nfs/dbraw/zinc/22/33/85/1137223385.db2.gz WORWUIULBRNBPF-KRWDZBQOSA-N 1 2 333.382 3.590 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844441136 1137223387 /nfs/dbraw/zinc/22/33/87/1137223387.db2.gz WORWUIULBRNBPF-KRWDZBQOSA-N 1 2 333.382 3.590 20 0 EHADLO CSc1ccccc1C[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000794657878 1137224739 /nfs/dbraw/zinc/22/47/39/1137224739.db2.gz VRYMONZAHOYEDO-QGZVFWFLSA-N 1 2 326.465 3.771 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000794657878 1137224740 /nfs/dbraw/zinc/22/47/40/1137224740.db2.gz VRYMONZAHOYEDO-QGZVFWFLSA-N 1 2 326.465 3.771 20 0 EHADLO C/C=C/C=C/C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144005120 1137225064 /nfs/dbraw/zinc/22/50/64/1137225064.db2.gz POIHAFOTHODYIL-QSDLXZDYSA-N 1 2 327.255 3.845 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1Br ZINC000844479742 1137225100 /nfs/dbraw/zinc/22/51/00/1137225100.db2.gz QVMWCWHVBJZVTJ-NWDGAFQWSA-N 1 2 337.217 3.901 20 0 EHADLO C[N@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@@H]1CCC(C)(C)C1 ZINC000794683895 1137225966 /nfs/dbraw/zinc/22/59/66/1137225966.db2.gz GKJFQEXVLLLVSD-MRXNPFEDSA-N 1 2 345.516 3.520 20 0 EHADLO C[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@@H]1CCC(C)(C)C1 ZINC000794683895 1137225968 /nfs/dbraw/zinc/22/59/68/1137225968.db2.gz GKJFQEXVLLLVSD-MRXNPFEDSA-N 1 2 345.516 3.520 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1cccnc1 ZINC000794684813 1137226406 /nfs/dbraw/zinc/22/64/06/1137226406.db2.gz IZILGSUJYAFMJR-OAHLLOKOSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1cccnc1 ZINC000794684813 1137226407 /nfs/dbraw/zinc/22/64/07/1137226407.db2.gz IZILGSUJYAFMJR-OAHLLOKOSA-N 1 2 345.516 3.964 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000794686685 1137226947 /nfs/dbraw/zinc/22/69/47/1137226947.db2.gz DJTKQCXMHFTEKR-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000794686685 1137226948 /nfs/dbraw/zinc/22/69/48/1137226948.db2.gz DJTKQCXMHFTEKR-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO Cc1cn2cc(NC(=O)NCCC[C@@H]3CC3(Cl)Cl)ccc2[nH+]1 ZINC000844526945 1137231241 /nfs/dbraw/zinc/23/12/41/1137231241.db2.gz LHHSARZFPZYOJV-LLVKDONJSA-N 1 2 341.242 3.738 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1)n1cc[nH+]c1 ZINC000844530102 1137231645 /nfs/dbraw/zinc/23/16/45/1137231645.db2.gz ADQPCQFSJMTQDH-MNOVXSKESA-N 1 2 327.306 3.552 20 0 EHADLO COC[C@@H]1COCC[N@@H+]1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090704 1137236228 /nfs/dbraw/zinc/23/62/28/1137236228.db2.gz OXYXWQKIUGHJQM-GOSISDBHSA-N 1 2 327.424 3.635 20 0 EHADLO COC[C@@H]1COCC[N@H+]1Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090704 1137236230 /nfs/dbraw/zinc/23/62/30/1137236230.db2.gz OXYXWQKIUGHJQM-GOSISDBHSA-N 1 2 327.424 3.635 20 0 EHADLO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144134380 1137242676 /nfs/dbraw/zinc/24/26/76/1137242676.db2.gz MCBXZIRBNHSUDL-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144134380 1137242677 /nfs/dbraw/zinc/24/26/77/1137242677.db2.gz MCBXZIRBNHSUDL-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844726085 1137248180 /nfs/dbraw/zinc/24/81/80/1137248180.db2.gz WUHPZROQWIYLMI-UHFFFAOYSA-N 1 2 328.362 3.879 20 0 EHADLO CCn1cc(C[N@H+](Cn2cc(C(C)C)n(C)c2=S)C(C)C)cn1 ZINC000844736733 1137251184 /nfs/dbraw/zinc/25/11/84/1137251184.db2.gz GIBXAURLIFODSU-UHFFFAOYSA-N 1 2 335.521 3.764 20 0 EHADLO CCn1cc(C[N@@H+](Cn2cc(C(C)C)n(C)c2=S)C(C)C)cn1 ZINC000844736733 1137251186 /nfs/dbraw/zinc/25/11/86/1137251186.db2.gz GIBXAURLIFODSU-UHFFFAOYSA-N 1 2 335.521 3.764 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)C1CC1 ZINC000794804014 1137255498 /nfs/dbraw/zinc/25/54/98/1137255498.db2.gz SALFDWARZCFNJV-YVEFUNNKSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)C1CC1 ZINC000794804014 1137255500 /nfs/dbraw/zinc/25/55/00/1137255500.db2.gz SALFDWARZCFNJV-YVEFUNNKSA-N 1 2 341.373 3.836 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2coc(SC)c2)n1 ZINC000864975969 1137256007 /nfs/dbraw/zinc/25/60/07/1137256007.db2.gz BEMSNHZDJYKASN-UHFFFAOYSA-N 1 2 325.459 3.552 20 0 EHADLO Cc1nc(CN2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)sc1C ZINC001144359485 1137278313 /nfs/dbraw/zinc/27/83/13/1137278313.db2.gz CQZMAHUWHWKSFQ-CYBMUJFWSA-N 1 2 333.476 3.605 20 0 EHADLO Cc1nc(CN2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)sc1C ZINC001144359485 1137278315 /nfs/dbraw/zinc/27/83/15/1137278315.db2.gz CQZMAHUWHWKSFQ-CYBMUJFWSA-N 1 2 333.476 3.605 20 0 EHADLO COCCCn1c(C)cc(C(=O)Cn2c[nH+]c(C(C)(C)C)c2)c1C ZINC000865374587 1137278489 /nfs/dbraw/zinc/27/84/89/1137278489.db2.gz HZOKBEKOCUBLQO-UHFFFAOYSA-N 1 2 331.460 3.518 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375458 1137278583 /nfs/dbraw/zinc/27/85/83/1137278583.db2.gz VTUCUVFZDXQREV-UHFFFAOYSA-N 1 2 337.826 3.632 20 0 EHADLO Cc1cc([C@@H]([NH2+]Cc2cccnc2F)c2cccnc2)ccc1F ZINC000794837720 1137280798 /nfs/dbraw/zinc/28/07/98/1137280798.db2.gz VMFYDSRUVZEIMP-GOSISDBHSA-N 1 2 325.362 3.942 20 0 EHADLO O=c1[nH]ccc2oc(C[NH2+]Cc3cccnc3OC3CCCC3)cc21 ZINC000865412881 1137281169 /nfs/dbraw/zinc/28/11/69/1137281169.db2.gz WODKPFBXBKLOQO-UHFFFAOYSA-N 1 2 339.395 3.540 20 0 EHADLO CO[C@H](CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C(F)(F)F ZINC000845271694 1137283076 /nfs/dbraw/zinc/28/30/76/1137283076.db2.gz DWJAPZUOSZTDAH-CYBMUJFWSA-N 1 2 341.333 3.599 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845280109 1137283258 /nfs/dbraw/zinc/28/32/58/1137283258.db2.gz ROUYANRTFNGQEF-CABCVRRESA-N 1 2 343.427 3.530 20 0 EHADLO CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845283131 1137283530 /nfs/dbraw/zinc/28/35/30/1137283530.db2.gz TXNYTDFUYORMEQ-CABCVRRESA-N 1 2 328.412 3.772 20 0 EHADLO CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000845283156 1137283575 /nfs/dbraw/zinc/28/35/75/1137283575.db2.gz UBEVTSSGTMPKON-WFASDCNBSA-N 1 2 334.803 3.692 20 0 EHADLO C[C@H](CC(=O)OCCc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845286490 1137283865 /nfs/dbraw/zinc/28/38/65/1137283865.db2.gz WPQOYYRBPYCWQN-LLVKDONJSA-N 1 2 327.211 3.927 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144452078 1137297553 /nfs/dbraw/zinc/29/75/53/1137297553.db2.gz HQLQSFYWQQSCPY-KRWDZBQOSA-N 1 2 333.435 3.943 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(OC(C)(C)C)c2)s1 ZINC000865609295 1137298381 /nfs/dbraw/zinc/29/83/81/1137298381.db2.gz KPJFPSSUUXPBKJ-LBPRGKRZSA-N 1 2 348.468 3.958 20 0 EHADLO CCCn1cc(C[NH2+]Cc2cccc(Oc3ccccc3F)c2)nn1 ZINC000865614676 1137299089 /nfs/dbraw/zinc/29/90/89/1137299089.db2.gz OAMYCTIPSHUCNR-UHFFFAOYSA-N 1 2 340.402 3.909 20 0 EHADLO Cc1cc(NCCC2(CNC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000845673114 1137304868 /nfs/dbraw/zinc/30/48/68/1137304868.db2.gz FIEOLCHVORKFAL-UHFFFAOYSA-N 1 2 346.475 3.769 20 0 EHADLO FC(F)(F)c1ncccc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001144531415 1137306064 /nfs/dbraw/zinc/30/60/64/1137306064.db2.gz CJXTYFOLUSTDHH-UHFFFAOYSA-N 1 2 337.345 3.539 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc(CNc2cccc[nH+]2)c(F)c1 ZINC000845718485 1137306328 /nfs/dbraw/zinc/30/63/28/1137306328.db2.gz KYISHZXKVRKNQG-UHFFFAOYSA-N 1 2 331.391 3.858 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cccnc2C(F)(F)F)c1OC ZINC001144537928 1137306377 /nfs/dbraw/zinc/30/63/77/1137306377.db2.gz ANFQYFIORFTIRN-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cccnc2C(F)(F)F)c1OC ZINC001144537928 1137306378 /nfs/dbraw/zinc/30/63/78/1137306378.db2.gz ANFQYFIORFTIRN-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000120720328 1137306736 /nfs/dbraw/zinc/30/67/36/1137306736.db2.gz DMXZOSDQCOOTMJ-UHFFFAOYSA-N 1 2 333.863 3.809 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000120720328 1137306738 /nfs/dbraw/zinc/30/67/38/1137306738.db2.gz DMXZOSDQCOOTMJ-UHFFFAOYSA-N 1 2 333.863 3.809 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c(F)c1 ZINC000865802241 1137312636 /nfs/dbraw/zinc/31/26/36/1137312636.db2.gz MGWBSNXVNFGVLN-UHFFFAOYSA-N 1 2 341.352 3.976 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cnc(-c3ccccc3)s2)n1 ZINC000865809332 1137313586 /nfs/dbraw/zinc/31/35/86/1137313586.db2.gz ONOCLXODVYSBID-UHFFFAOYSA-N 1 2 334.395 3.771 20 0 EHADLO Brc1cnc(C[NH2+]Cc2cnc(C3CCC3)s2)s1 ZINC000865850467 1137316586 /nfs/dbraw/zinc/31/65/86/1137316586.db2.gz YRUVYGWZXBGWSZ-UHFFFAOYSA-N 1 2 344.303 3.919 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(OC)c1OC ZINC000866139759 1137331081 /nfs/dbraw/zinc/33/10/81/1137331081.db2.gz CXFXEBYZFRXVAW-OAHLLOKOSA-N 1 2 342.443 3.657 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(OC)c1OC ZINC000866139759 1137331083 /nfs/dbraw/zinc/33/10/83/1137331083.db2.gz CXFXEBYZFRXVAW-OAHLLOKOSA-N 1 2 342.443 3.657 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1cc(C)nn1C ZINC000846108901 1137332720 /nfs/dbraw/zinc/33/27/20/1137332720.db2.gz FSBMJURZBXBHQT-INIZCTEOSA-N 1 2 333.863 3.900 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1cc(C)nn1C ZINC000846108901 1137332722 /nfs/dbraw/zinc/33/27/22/1137332722.db2.gz FSBMJURZBXBHQT-INIZCTEOSA-N 1 2 333.863 3.900 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C)nn1 ZINC000846108867 1137332800 /nfs/dbraw/zinc/33/28/00/1137332800.db2.gz FAWZIFWPXBKTKY-INIZCTEOSA-N 1 2 331.847 3.956 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C)nn1 ZINC000846108867 1137332802 /nfs/dbraw/zinc/33/28/02/1137332802.db2.gz FAWZIFWPXBKTKY-INIZCTEOSA-N 1 2 331.847 3.956 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000846117332 1137334096 /nfs/dbraw/zinc/33/40/96/1137334096.db2.gz MRVPECOFDZNMMA-GOEBONIOSA-N 1 2 349.475 3.676 20 0 EHADLO Fc1ccccc1CN1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144737174 1137340992 /nfs/dbraw/zinc/34/09/92/1137340992.db2.gz POXWVAGMZCFJLJ-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO Fc1ccccc1C[NH+]1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144737174 1137340994 /nfs/dbraw/zinc/34/09/94/1137340994.db2.gz POXWVAGMZCFJLJ-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2nnc[nH]2)cc1 ZINC000846216187 1137341843 /nfs/dbraw/zinc/34/18/43/1137341843.db2.gz QVNANIGIIQGUSG-DGCLKSJQSA-N 1 2 343.233 3.597 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(-c2ccccc2)n1 ZINC000866335914 1137346700 /nfs/dbraw/zinc/34/67/00/1137346700.db2.gz MLUMRKDWRXIMKL-FXAWDEMLSA-N 1 2 337.398 3.649 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CC[C@H]3C(C)(C)C)cc2)CC1 ZINC000866626460 1137371061 /nfs/dbraw/zinc/37/10/61/1137371061.db2.gz MRWSRNMXXAFSMC-MOPGFXCFSA-N 1 2 329.488 3.592 20 0 EHADLO CC(=O)C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000846947929 1137378310 /nfs/dbraw/zinc/37/83/10/1137378310.db2.gz IXEMXPHEYHDSPF-UHFFFAOYSA-N 1 2 336.435 3.593 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000847049263 1137383944 /nfs/dbraw/zinc/38/39/44/1137383944.db2.gz UVDWMHGNJPGDGU-GFCCVEGCSA-N 1 2 338.398 3.537 20 0 EHADLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000121885635 1137388226 /nfs/dbraw/zinc/38/82/26/1137388226.db2.gz WTVFYFXTVOAXTI-INIZCTEOSA-N 1 2 336.439 3.905 20 0 EHADLO CCOCCCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000867934062 1137390143 /nfs/dbraw/zinc/39/01/43/1137390143.db2.gz AEZUSGBWFYVCQV-UHFFFAOYSA-N 1 2 347.503 3.522 20 0 EHADLO CC[C@](C)(NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1ccccc1 ZINC001146926872 1137397321 /nfs/dbraw/zinc/39/73/21/1137397321.db2.gz RUUFBJULHOEITJ-FQEVSTJZSA-N 1 2 335.407 3.633 20 0 EHADLO CCCC[C@@H]([NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OC ZINC001171298513 1137401593 /nfs/dbraw/zinc/40/15/93/1137401593.db2.gz LPLJPWOSXUTBBI-MLGOLLRUSA-N 1 2 339.863 3.527 20 0 EHADLO c1ccc(COc2cc(N[C@@H]3COCc4ccccc43)cc[nH+]2)nc1 ZINC001171300791 1137402874 /nfs/dbraw/zinc/40/28/74/1137402874.db2.gz KKFIUYFVOBGVIF-LJQANCHMSA-N 1 2 333.391 3.739 20 0 EHADLO CC(C)CCCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001147484186 1137408441 /nfs/dbraw/zinc/40/84/41/1137408441.db2.gz IOCUEDITVSYMPD-UHFFFAOYSA-N 1 2 328.460 3.551 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC000868565773 1137414473 /nfs/dbraw/zinc/41/44/73/1137414473.db2.gz IMQQDXLANMRUEJ-FZKQIMNGSA-N 1 2 329.831 3.722 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2sc3cc(F)ccc3c2Cl)[nH+]1 ZINC001147993519 1137416798 /nfs/dbraw/zinc/41/67/98/1137416798.db2.gz SADLCFQJVRLSDW-UHFFFAOYSA-N 1 2 337.807 3.698 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC001148637930 1137430462 /nfs/dbraw/zinc/43/04/62/1137430462.db2.gz OQZMFFANULDRPH-CQSZACIVSA-N 1 2 329.469 3.930 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)s1 ZINC001148637930 1137430464 /nfs/dbraw/zinc/43/04/64/1137430464.db2.gz OQZMFFANULDRPH-CQSZACIVSA-N 1 2 329.469 3.930 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000348106192 1137441321 /nfs/dbraw/zinc/44/13/21/1137441321.db2.gz FVOZTUHSDJVRAT-ZIAGYGMSSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000282797160 1137449056 /nfs/dbraw/zinc/44/90/56/1137449056.db2.gz QNPRCVHQPMYVNW-MRXNPFEDSA-N 1 2 328.460 3.653 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000348191209 1137452267 /nfs/dbraw/zinc/45/22/67/1137452267.db2.gz UGLBIFMEZBGXQQ-GJZGRUSLSA-N 1 2 329.419 3.844 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000348191208 1137452273 /nfs/dbraw/zinc/45/22/73/1137452273.db2.gz UGLBIFMEZBGXQQ-CABCVRRESA-N 1 2 329.419 3.844 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000870125042 1137478014 /nfs/dbraw/zinc/47/80/14/1137478014.db2.gz UDEWTGXEDNJLGY-CQSZACIVSA-N 1 2 330.453 3.521 20 0 EHADLO COc1cccc([C@H]2CN(C(=O)c3cc(C(C)C)oc3C)CC[NH2+]2)c1 ZINC000870153228 1137478748 /nfs/dbraw/zinc/47/87/48/1137478748.db2.gz NPUJEPRQRBBUDU-GOSISDBHSA-N 1 2 342.439 3.507 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC001171429250 1137480057 /nfs/dbraw/zinc/48/00/57/1137480057.db2.gz IQFUTEMVTFSCSF-HNNXBMFYSA-N 1 2 343.496 3.892 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC001171429250 1137480059 /nfs/dbraw/zinc/48/00/59/1137480059.db2.gz IQFUTEMVTFSCSF-HNNXBMFYSA-N 1 2 343.496 3.892 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCCOC1CCCCC1 ZINC001171478062 1137493265 /nfs/dbraw/zinc/49/32/65/1137493265.db2.gz PDJWZKBDXZLXRC-UHFFFAOYSA-N 1 2 334.460 3.727 20 0 EHADLO O=C1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567522 1137498616 /nfs/dbraw/zinc/49/86/16/1137498616.db2.gz LRZKYDUWORPPNO-AZUAARDMSA-N 1 2 336.435 3.751 20 0 EHADLO O=C1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567522 1137498618 /nfs/dbraw/zinc/49/86/18/1137498618.db2.gz LRZKYDUWORPPNO-AZUAARDMSA-N 1 2 336.435 3.751 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1F ZINC001171621333 1137500858 /nfs/dbraw/zinc/50/08/58/1137500858.db2.gz YTZVGULMNNEUCM-MRXNPFEDSA-N 1 2 327.359 3.822 20 0 EHADLO Cc1nc(-c2ccccc2)oc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000870603082 1137501506 /nfs/dbraw/zinc/50/15/06/1137501506.db2.gz DZGLCENYHXBYLY-ZDUSSCGKSA-N 1 2 325.368 3.541 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171664145 1137502390 /nfs/dbraw/zinc/50/23/90/1137502390.db2.gz TULTUJLOXFBDDC-OXQOHEQNSA-N 1 2 343.442 3.829 20 0 EHADLO CCO[C@H](C[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC001171718406 1137505679 /nfs/dbraw/zinc/50/56/79/1137505679.db2.gz FNHUDGYZSVDXQR-MRXNPFEDSA-N 1 2 325.493 3.826 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H]1c1ccccc1 ZINC000888578714 1137544637 /nfs/dbraw/zinc/54/46/37/1137544637.db2.gz WJTIXKVHCKARDN-KXBFYZLASA-N 1 2 334.423 3.627 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nnc(C)o1 ZINC001172365587 1137554768 /nfs/dbraw/zinc/55/47/68/1137554768.db2.gz BWNPNYAQDUYPFJ-OSDKZWGASA-N 1 2 329.444 3.890 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nc(C)nc3ncccc32)c1C ZINC000871706182 1137555065 /nfs/dbraw/zinc/55/50/65/1137555065.db2.gz NNQHWFKPUPKKPV-UHFFFAOYSA-N 1 2 326.425 3.646 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc[nH+]1 ZINC000123838556 1137561185 /nfs/dbraw/zinc/56/11/85/1137561185.db2.gz SNRKJNQHASVWMD-UHFFFAOYSA-N 1 2 331.375 3.895 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000872137935 1137573785 /nfs/dbraw/zinc/57/37/85/1137573785.db2.gz XWYCGCYPXCWOOM-ZDUSSCGKSA-N 1 2 344.415 3.808 20 0 EHADLO CCS[C@@H](C)c1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872174978 1137575197 /nfs/dbraw/zinc/57/51/97/1137575197.db2.gz ILJKMZLCKITYNP-KWQFWETISA-N 1 2 331.363 3.951 20 0 EHADLO [NH3+][C@H](c1nc([C@H]2CCCS2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872174685 1137575219 /nfs/dbraw/zinc/57/52/19/1137575219.db2.gz FJTOQVPSUGVOCR-MNOVXSKESA-N 1 2 329.347 3.705 20 0 EHADLO Cc1nc(NCc2nc(-c3ccncc3)cs2)c2c([nH+]1)CCCC2 ZINC000872711871 1137583044 /nfs/dbraw/zinc/58/30/44/1137583044.db2.gz PIFKNHHAAQNKFG-UHFFFAOYSA-N 1 2 337.452 3.794 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccncc2Br)nc(C2CC2)[nH+]1 ZINC000872765884 1137584053 /nfs/dbraw/zinc/58/40/53/1137584053.db2.gz IILOMHARWAADRX-JTQLQIEISA-N 1 2 333.233 3.993 20 0 EHADLO C[C@H]1C[N@H+](Cn2ccc(-c3ccsc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000872816744 1137584889 /nfs/dbraw/zinc/58/48/89/1137584889.db2.gz NKHWMRGCQQVKCJ-SMDDNHRTSA-N 1 2 345.390 3.611 20 0 EHADLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccsc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000872816744 1137584890 /nfs/dbraw/zinc/58/48/90/1137584890.db2.gz NKHWMRGCQQVKCJ-SMDDNHRTSA-N 1 2 345.390 3.611 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000872816859 1137584952 /nfs/dbraw/zinc/58/49/52/1137584952.db2.gz PRBCRVATFPCTOF-BBRMVZONSA-N 1 2 339.361 3.549 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000872816859 1137584953 /nfs/dbraw/zinc/58/49/53/1137584953.db2.gz PRBCRVATFPCTOF-BBRMVZONSA-N 1 2 339.361 3.549 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1ccccc1OCCOC ZINC000873020590 1137588249 /nfs/dbraw/zinc/58/82/49/1137588249.db2.gz XMVGXQSNXQHAHU-UHFFFAOYSA-N 1 2 333.403 3.539 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(Br)c3ccccc3n2C)o1 ZINC000873129259 1137590767 /nfs/dbraw/zinc/59/07/67/1137590767.db2.gz JBACAKZBBVOWRU-UHFFFAOYSA-N 1 2 348.244 3.781 20 0 EHADLO CCOCOc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873174612 1137592426 /nfs/dbraw/zinc/59/24/26/1137592426.db2.gz LNATYRUFNKIIRH-UHFFFAOYSA-N 1 2 344.455 3.852 20 0 EHADLO O=C(O[C@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000873578039 1137603349 /nfs/dbraw/zinc/60/33/49/1137603349.db2.gz FZOSFLZNODGKOZ-KRWDZBQOSA-N 1 2 326.396 3.521 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccc(N2CCCC2)c(F)c1)n1cc[nH+]c1 ZINC000874103142 1137610452 /nfs/dbraw/zinc/61/04/52/1137610452.db2.gz BTRKLJWULLJQJC-SFHVURJKSA-N 1 2 344.434 3.848 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C)CC(F)(F)C3)n2)C1 ZINC000874147121 1137610948 /nfs/dbraw/zinc/61/09/48/1137610948.db2.gz QLVSMWXPTSYIFL-NSHDSACASA-N 1 2 343.443 3.749 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C)CC(F)(F)C3)n2)C1 ZINC000874147121 1137610949 /nfs/dbraw/zinc/61/09/49/1137610949.db2.gz QLVSMWXPTSYIFL-NSHDSACASA-N 1 2 343.443 3.749 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000874254962 1137612121 /nfs/dbraw/zinc/61/21/21/1137612121.db2.gz LISJOVZUNGOHRN-FQEVSTJZSA-N 1 2 341.430 3.623 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874266122 1137612439 /nfs/dbraw/zinc/61/24/39/1137612439.db2.gz GATDVXQTJGVEIW-RKDXNWHRSA-N 1 2 327.331 3.764 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874266122 1137612440 /nfs/dbraw/zinc/61/24/40/1137612440.db2.gz GATDVXQTJGVEIW-RKDXNWHRSA-N 1 2 327.331 3.764 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000874324923 1137613060 /nfs/dbraw/zinc/61/30/60/1137613060.db2.gz ULIYKXGYEVSHJS-ZWKOTPCHSA-N 1 2 325.456 3.693 20 0 EHADLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874690647 1137621251 /nfs/dbraw/zinc/62/12/51/1137621251.db2.gz HZSYLVMHKGURTR-SNVBAGLBSA-N 1 2 331.807 3.565 20 0 EHADLO c1nn(-c2ccccc2)nc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125455746 1137634734 /nfs/dbraw/zinc/63/47/34/1137634734.db2.gz PKHCLCABXBDCIE-UHFFFAOYSA-N 1 2 340.471 3.581 20 0 EHADLO Cc1ccc(C)c(N(C(=O)c2cccc3[nH+]ccn32)C2CCOCC2)c1 ZINC000876045489 1137642821 /nfs/dbraw/zinc/64/28/21/1137642821.db2.gz YFULNJNWLCFCCR-UHFFFAOYSA-N 1 2 349.434 3.777 20 0 EHADLO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(Cl)nn1 ZINC000876543998 1137655005 /nfs/dbraw/zinc/65/50/05/1137655005.db2.gz MYXSUVSLSOZEQL-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(Cl)nn1 ZINC000876543998 1137655006 /nfs/dbraw/zinc/65/50/06/1137655006.db2.gz MYXSUVSLSOZEQL-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+](C)[C@@H](C)c3cccs3)nn2)cc1 ZINC000876589907 1137656408 /nfs/dbraw/zinc/65/64/08/1137656408.db2.gz QQKJQWWRCNQZRN-AWEZNQCLSA-N 1 2 342.468 3.590 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+](C)[C@@H](C)c3cccs3)nn2)cc1 ZINC000876589907 1137656409 /nfs/dbraw/zinc/65/64/09/1137656409.db2.gz QQKJQWWRCNQZRN-AWEZNQCLSA-N 1 2 342.468 3.590 20 0 EHADLO CCCn1cc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nn1 ZINC000876616641 1137657247 /nfs/dbraw/zinc/65/72/47/1137657247.db2.gz QSBGRFFAZWZFHQ-UHFFFAOYSA-N 1 2 339.418 3.598 20 0 EHADLO CCCn1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nn1 ZINC000876616641 1137657248 /nfs/dbraw/zinc/65/72/48/1137657248.db2.gz QSBGRFFAZWZFHQ-UHFFFAOYSA-N 1 2 339.418 3.598 20 0 EHADLO CCOP(=O)(CCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1)OCC ZINC000876743977 1137660079 /nfs/dbraw/zinc/66/00/79/1137660079.db2.gz OSARIBJKUIBIRN-HNNXBMFYSA-N 1 2 345.376 3.618 20 0 EHADLO CCOP(=O)(CCC[N@H+]1CCOC[C@H]1c1ccc(C)o1)OCC ZINC000876743977 1137660080 /nfs/dbraw/zinc/66/00/80/1137660080.db2.gz OSARIBJKUIBIRN-HNNXBMFYSA-N 1 2 345.376 3.618 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000876757071 1137660707 /nfs/dbraw/zinc/66/07/07/1137660707.db2.gz AZMGLABGCAPVEF-XIKOKIGWSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000876757071 1137660708 /nfs/dbraw/zinc/66/07/08/1137660708.db2.gz AZMGLABGCAPVEF-XIKOKIGWSA-N 1 2 342.370 3.635 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+]3C[C@@H](C)[C@@H]3c3ccccc3)nn2)cc1 ZINC000876794237 1137661463 /nfs/dbraw/zinc/66/14/63/1137661463.db2.gz POIBXAAMUTWFHW-IIBYNOLFSA-N 1 2 348.450 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+]3C[C@@H](C)[C@@H]3c3ccccc3)nn2)cc1 ZINC000876794237 1137661464 /nfs/dbraw/zinc/66/14/64/1137661464.db2.gz POIBXAAMUTWFHW-IIBYNOLFSA-N 1 2 348.450 3.528 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876811815 1137662439 /nfs/dbraw/zinc/66/24/39/1137662439.db2.gz NMCHHRWTLPVXOO-OAHLLOKOSA-N 1 2 333.794 3.507 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1ccc(Cl)nn1)c1ccc(F)cc1 ZINC000876811815 1137662440 /nfs/dbraw/zinc/66/24/40/1137662440.db2.gz NMCHHRWTLPVXOO-OAHLLOKOSA-N 1 2 333.794 3.507 20 0 EHADLO CC(C)(CNc1ccc([NH+]2CCC(O)CC2)cc1)Oc1ccccc1 ZINC000876822033 1137662621 /nfs/dbraw/zinc/66/26/21/1137662621.db2.gz SSDANCYCBYYSIH-UHFFFAOYSA-N 1 2 340.467 3.917 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000876939783 1137665950 /nfs/dbraw/zinc/66/59/50/1137665950.db2.gz LUXLOLYXOLPZCA-LLVKDONJSA-N 1 2 337.876 3.615 20 0 EHADLO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877140002 1137671358 /nfs/dbraw/zinc/67/13/58/1137671358.db2.gz JHMYQKUOEBNPDK-MRXNPFEDSA-N 1 2 341.213 3.621 20 0 EHADLO O[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877140002 1137671359 /nfs/dbraw/zinc/67/13/59/1137671359.db2.gz JHMYQKUOEBNPDK-MRXNPFEDSA-N 1 2 341.213 3.621 20 0 EHADLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1nc(Cl)cs1 ZINC000877516274 1137679252 /nfs/dbraw/zinc/67/92/52/1137679252.db2.gz CTXQVNBOFMPNMJ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1nc(Cl)cs1 ZINC000877516274 1137679253 /nfs/dbraw/zinc/67/92/53/1137679253.db2.gz CTXQVNBOFMPNMJ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NC[C@@H]1CC1(Cl)Cl ZINC000877573701 1137681795 /nfs/dbraw/zinc/68/17/95/1137681795.db2.gz UNSNDYUIQPSEGA-NSHDSACASA-N 1 2 346.258 3.712 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)c1ccns1 ZINC000877658608 1137684496 /nfs/dbraw/zinc/68/44/96/1137684496.db2.gz ADPFUBOTOVGTKY-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO CSC1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000877662971 1137684700 /nfs/dbraw/zinc/68/47/00/1137684700.db2.gz BAXNUYYDCBMBLJ-UHFFFAOYSA-N 1 2 335.698 3.825 20 0 EHADLO COc1cccc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)n1 ZINC000877667958 1137685029 /nfs/dbraw/zinc/68/50/29/1137685029.db2.gz DJQPXRBPYVYUNP-UHFFFAOYSA-N 1 2 331.803 3.910 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000877681849 1137685717 /nfs/dbraw/zinc/68/57/17/1137685717.db2.gz KJBLOSXBGNYCFH-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000877681849 1137685718 /nfs/dbraw/zinc/68/57/18/1137685718.db2.gz KJBLOSXBGNYCFH-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718750 1137686986 /nfs/dbraw/zinc/68/69/86/1137686986.db2.gz RZYOCZWXSFQVAF-OKILXGFUSA-N 1 2 339.888 3.532 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718750 1137686987 /nfs/dbraw/zinc/68/69/87/1137686987.db2.gz RZYOCZWXSFQVAF-OKILXGFUSA-N 1 2 339.888 3.532 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)ncc1Br ZINC000877811289 1137690805 /nfs/dbraw/zinc/69/08/05/1137690805.db2.gz YANQXWIFKUNCKD-GFCCVEGCSA-N 1 2 337.183 3.927 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)ncc1Br ZINC000877811289 1137690806 /nfs/dbraw/zinc/69/08/06/1137690806.db2.gz YANQXWIFKUNCKD-GFCCVEGCSA-N 1 2 337.183 3.927 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2O)o1)[C@@H](C)c1cccc(O)c1 ZINC000878167813 1137705438 /nfs/dbraw/zinc/70/54/38/1137705438.db2.gz KHOHZQNZBHHFID-ZDUSSCGKSA-N 1 2 339.395 3.731 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@@H](C)c1cccc(O)c1 ZINC000878167813 1137705439 /nfs/dbraw/zinc/70/54/39/1137705439.db2.gz KHOHZQNZBHHFID-ZDUSSCGKSA-N 1 2 339.395 3.731 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1ccccc1 ZINC000878368159 1137712985 /nfs/dbraw/zinc/71/29/85/1137712985.db2.gz HNJGKTHSOPPXHQ-JLCFBVMHSA-N 1 2 331.359 3.508 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)ccc1C ZINC000878374429 1137713336 /nfs/dbraw/zinc/71/33/36/1137713336.db2.gz FQRNZQRAIPSPFD-INIZCTEOSA-N 1 2 343.427 3.529 20 0 EHADLO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc([S@](C)=O)cc1 ZINC000878376154 1137713473 /nfs/dbraw/zinc/71/34/73/1137713473.db2.gz NCQKQVLSWXCYDT-OZAJXLCCSA-N 1 2 346.496 3.778 20 0 EHADLO Cc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)nc1Cl ZINC000878438597 1137716007 /nfs/dbraw/zinc/71/60/07/1137716007.db2.gz CVPKRYDQXCAWGR-CQSZACIVSA-N 1 2 336.785 3.569 20 0 EHADLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878540323 1137719549 /nfs/dbraw/zinc/71/95/49/1137719549.db2.gz MHCABYVNTKIUPN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878540323 1137719550 /nfs/dbraw/zinc/71/95/50/1137719550.db2.gz MHCABYVNTKIUPN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC(C)(C)CC(F)(F)F)c1C ZINC000878552668 1137719871 /nfs/dbraw/zinc/71/98/71/1137719871.db2.gz JKUKLVPTNVDMTI-UHFFFAOYSA-N 1 2 332.366 3.692 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H](CC(F)(F)F)O1 ZINC000878997159 1137734660 /nfs/dbraw/zinc/73/46/60/1137734660.db2.gz BQGMUHVUUMLGGJ-BSWAZPDLSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H](CC(F)(F)F)O1 ZINC000878997159 1137734661 /nfs/dbraw/zinc/73/46/61/1137734661.db2.gz BQGMUHVUUMLGGJ-BSWAZPDLSA-N 1 2 343.389 3.948 20 0 EHADLO Cc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2ccco2)c(N(C)C)[nH+]1 ZINC000879001582 1137734797 /nfs/dbraw/zinc/73/47/97/1137734797.db2.gz BAHYHLYBHDBNNT-HNNXBMFYSA-N 1 2 328.416 3.664 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3scnc3Cl)CC2)c1 ZINC000879030141 1137735833 /nfs/dbraw/zinc/73/58/33/1137735833.db2.gz CJZXORFKWGAJMS-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000879104781 1137737904 /nfs/dbraw/zinc/73/79/04/1137737904.db2.gz OTFXRSQYECXVFM-OAHLLOKOSA-N 1 2 349.475 3.821 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000879104781 1137737905 /nfs/dbraw/zinc/73/79/05/1137737905.db2.gz OTFXRSQYECXVFM-OAHLLOKOSA-N 1 2 349.475 3.821 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2s1 ZINC000879106800 1137738118 /nfs/dbraw/zinc/73/81/18/1137738118.db2.gz YHCGYVQWWNXOSX-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2s1 ZINC000879106800 1137738119 /nfs/dbraw/zinc/73/81/19/1137738119.db2.gz YHCGYVQWWNXOSX-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO COc1ncc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)c(C)n1 ZINC000879158353 1137739659 /nfs/dbraw/zinc/73/96/59/1137739659.db2.gz ACVAYWXKKDPDGL-UHFFFAOYSA-N 1 2 346.818 3.613 20 0 EHADLO Cc1cccc2c(C[N@@H+](C)Cc3ncccc3C(F)(F)F)[nH]nc21 ZINC001137143221 1137743643 /nfs/dbraw/zinc/74/36/43/1137743643.db2.gz FGWFJONTIQNEAI-UHFFFAOYSA-N 1 2 334.345 3.917 20 0 EHADLO Cc1cccc2c(C[N@H+](C)Cc3ncccc3C(F)(F)F)[nH]nc21 ZINC001137143221 1137743644 /nfs/dbraw/zinc/74/36/44/1137743644.db2.gz FGWFJONTIQNEAI-UHFFFAOYSA-N 1 2 334.345 3.917 20 0 EHADLO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000879376754 1137745963 /nfs/dbraw/zinc/74/59/63/1137745963.db2.gz FVEQCOQGTFYCIT-LLVKDONJSA-N 1 2 341.411 3.887 20 0 EHADLO Clc1cccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)n1 ZINC000879550226 1137750448 /nfs/dbraw/zinc/75/04/48/1137750448.db2.gz JIKWNIJXMVCTPS-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)n1 ZINC000879564483 1137751348 /nfs/dbraw/zinc/75/13/48/1137751348.db2.gz JTCPMDDKNSESFK-ZDUSSCGKSA-N 1 2 349.862 3.885 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)n1 ZINC000879691325 1137755451 /nfs/dbraw/zinc/75/54/51/1137755451.db2.gz USBUGAKGKVJSBC-IBGZPJMESA-N 1 2 339.487 3.624 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)n1 ZINC000879691325 1137755452 /nfs/dbraw/zinc/75/54/52/1137755452.db2.gz USBUGAKGKVJSBC-IBGZPJMESA-N 1 2 339.487 3.624 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3ccccc3OC)CC2)s1 ZINC000879728650 1137756659 /nfs/dbraw/zinc/75/66/59/1137756659.db2.gz VIBBVFFCPARSOM-CQSZACIVSA-N 1 2 347.484 3.715 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3ccccc3OC)CC2)s1 ZINC000879728650 1137756660 /nfs/dbraw/zinc/75/66/60/1137756660.db2.gz VIBBVFFCPARSOM-CQSZACIVSA-N 1 2 347.484 3.715 20 0 EHADLO Fc1ccc(-c2nc(C[NH2+]C3([C@H]4CCCCO4)CCC3)no2)c(F)c1 ZINC000879735286 1137757105 /nfs/dbraw/zinc/75/71/05/1137757105.db2.gz VYSWQJJYSUTOOC-OAHLLOKOSA-N 1 2 349.381 3.596 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000879782032 1137758590 /nfs/dbraw/zinc/75/85/90/1137758590.db2.gz NRTRRCGTADWOLG-MSOLQXFVSA-N 1 2 337.467 3.636 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2F)[C@@H]1C ZINC001137882715 1137759170 /nfs/dbraw/zinc/75/91/70/1137759170.db2.gz BYFPATMYODRMHV-MNOVXSKESA-N 1 2 331.790 3.782 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)[C@@H]1C ZINC001137882715 1137759171 /nfs/dbraw/zinc/75/91/71/1137759171.db2.gz BYFPATMYODRMHV-MNOVXSKESA-N 1 2 331.790 3.782 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999880 1137764189 /nfs/dbraw/zinc/76/41/89/1137764189.db2.gz CGFIHEQTHDXXAI-WBMJQRKESA-N 1 2 339.361 3.996 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999880 1137764190 /nfs/dbraw/zinc/76/41/90/1137764190.db2.gz CGFIHEQTHDXXAI-WBMJQRKESA-N 1 2 339.361 3.996 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008395 1137764921 /nfs/dbraw/zinc/76/49/21/1137764921.db2.gz AFRISAARXMLZCZ-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1csc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008395 1137764922 /nfs/dbraw/zinc/76/49/22/1137764922.db2.gz AFRISAARXMLZCZ-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880050247 1137766611 /nfs/dbraw/zinc/76/66/11/1137766611.db2.gz LNJXEXDUKBCNKT-CQSZACIVSA-N 1 2 344.308 3.634 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880050247 1137766612 /nfs/dbraw/zinc/76/66/12/1137766612.db2.gz LNJXEXDUKBCNKT-CQSZACIVSA-N 1 2 344.308 3.634 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H](C(F)(F)F)O1 ZINC000880057243 1137766755 /nfs/dbraw/zinc/76/67/55/1137766755.db2.gz VZGWMIBJEHLUEZ-WBMJQRKESA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H](C(F)(F)F)O1 ZINC000880057243 1137766756 /nfs/dbraw/zinc/76/67/56/1137766756.db2.gz VZGWMIBJEHLUEZ-WBMJQRKESA-N 1 2 340.345 3.883 20 0 EHADLO Clc1cc(Br)cc(C2([NH2+]Cc3cnc[nH]3)CC2)c1 ZINC000880352449 1137775989 /nfs/dbraw/zinc/77/59/89/1137775989.db2.gz TVWYZGSGBUPBAN-UHFFFAOYSA-N 1 2 326.625 3.605 20 0 EHADLO OC[C@H]1C=CC[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000880484843 1137779910 /nfs/dbraw/zinc/77/99/10/1137779910.db2.gz UVSBMPKFCQQTJA-CQSZACIVSA-N 1 2 340.370 3.562 20 0 EHADLO OC[C@H]1C=CC[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000880484843 1137779911 /nfs/dbraw/zinc/77/99/11/1137779911.db2.gz UVSBMPKFCQQTJA-CQSZACIVSA-N 1 2 340.370 3.562 20 0 EHADLO CCCc1nc(CN[C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880570999 1137781529 /nfs/dbraw/zinc/78/15/29/1137781529.db2.gz MDEUTWMYNYFSJN-KRWDZBQOSA-N 1 2 326.469 3.823 20 0 EHADLO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH2+]Cc2cnc[nH]2)C1(C)C ZINC000880603239 1137782017 /nfs/dbraw/zinc/78/20/17/1137782017.db2.gz MMYNJXVFGCOGDX-MRXNPFEDSA-N 1 2 342.443 3.774 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128588258 1137786832 /nfs/dbraw/zinc/78/68/32/1137786832.db2.gz SLDNYRFUZPEQDB-GFCCVEGCSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128588258 1137786833 /nfs/dbraw/zinc/78/68/33/1137786833.db2.gz SLDNYRFUZPEQDB-GFCCVEGCSA-N 1 2 340.254 3.689 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C3CC3)cc2F)C1 ZINC000880749152 1137788110 /nfs/dbraw/zinc/78/81/10/1137788110.db2.gz PYWQDZHXJZLAII-HNNXBMFYSA-N 1 2 342.418 3.848 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2(C)C)cc1 ZINC000881660935 1137813329 /nfs/dbraw/zinc/81/33/29/1137813329.db2.gz XOLPTHGZNNCFQO-KURKYZTESA-N 1 2 337.467 3.627 20 0 EHADLO Fc1c[nH+]ccc1N1CCO[C@H](c2ccccc2Br)C1 ZINC000881892594 1137817222 /nfs/dbraw/zinc/81/72/22/1137817222.db2.gz GAJUFBFEBLZZKP-HNNXBMFYSA-N 1 2 337.192 3.561 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904007 1137819969 /nfs/dbraw/zinc/81/99/69/1137819969.db2.gz GUSRXAYAGVIGQP-FCGDIQPGSA-N 1 2 337.467 3.756 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ccc(F)c(F)c2)c1C ZINC000129490025 1137823251 /nfs/dbraw/zinc/82/32/51/1137823251.db2.gz JREXJBQFNMCVMT-UHFFFAOYSA-N 1 2 348.393 3.624 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882571387 1137829691 /nfs/dbraw/zinc/82/96/91/1137829691.db2.gz FOTRYZCTKKCIIG-RISCZKNCSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882573982 1137829800 /nfs/dbraw/zinc/82/98/00/1137829800.db2.gz KHJVBVSCFZVOEK-RISCZKNCSA-N 1 2 341.308 3.657 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871869 1137836129 /nfs/dbraw/zinc/83/61/29/1137836129.db2.gz PYGMSNBKLCROQT-ZFWWWQNUSA-N 1 2 339.361 3.719 20 0 EHADLO O=C(c1cc(Cl)ccc1F)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000096738508 1137842553 /nfs/dbraw/zinc/84/25/53/1137842553.db2.gz FTMFALYHXOATIS-GOSISDBHSA-N 1 2 344.817 3.534 20 0 EHADLO O=C(c1cc(Cl)ccc1F)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000096738508 1137842554 /nfs/dbraw/zinc/84/25/54/1137842554.db2.gz FTMFALYHXOATIS-GOSISDBHSA-N 1 2 344.817 3.534 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1cc(O)ccc1Cl ZINC000883325313 1137854956 /nfs/dbraw/zinc/85/49/56/1137854956.db2.gz XBBNXIJUJHDSMJ-UHFFFAOYSA-N 1 2 328.243 3.846 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC001137188135 1137857621 /nfs/dbraw/zinc/85/76/21/1137857621.db2.gz QKXGRTYPJTVDMH-QXAKKESOSA-N 1 2 325.456 3.875 20 0 EHADLO Cc1nn2c(C[NH2+][C@H]3c4ccccc4CC[C@@H]3F)c(C)nc2s1 ZINC000883382813 1137858325 /nfs/dbraw/zinc/85/83/25/1137858325.db2.gz NOYHTJRLYKGUQK-HOCLYGCPSA-N 1 2 330.432 3.523 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000883463361 1137861210 /nfs/dbraw/zinc/86/12/10/1137861210.db2.gz NXSMOGNMQGZGNF-HNNXBMFYSA-N 1 2 326.425 3.833 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC000883652368 1137866202 /nfs/dbraw/zinc/86/62/02/1137866202.db2.gz MHMCWIIXEYOBLL-UHFFFAOYSA-N 1 2 342.487 3.611 20 0 EHADLO Cc1ccc2c(Nc3nc(Cl)c(Cl)nc3CO)cccc2[nH+]1 ZINC001212796059 1137866459 /nfs/dbraw/zinc/86/64/59/1137866459.db2.gz QCXGFKGYGQPAFT-UHFFFAOYSA-N 1 2 335.194 3.876 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704471 1137868637 /nfs/dbraw/zinc/86/86/37/1137868637.db2.gz ARDBSNIXGCDARL-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704471 1137868638 /nfs/dbraw/zinc/86/86/38/1137868638.db2.gz ARDBSNIXGCDARL-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc4occc4[nH]3)n2)CC1 ZINC000132968956 1137874142 /nfs/dbraw/zinc/87/41/42/1137874142.db2.gz NUJDOJAHCUFNNL-UHFFFAOYSA-N 1 2 344.440 3.702 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000106936547 1137884997 /nfs/dbraw/zinc/88/49/97/1137884997.db2.gz BIGVHDCMXVWLSU-AWEZNQCLSA-N 1 2 331.485 3.806 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000106936547 1137884998 /nfs/dbraw/zinc/88/49/98/1137884998.db2.gz BIGVHDCMXVWLSU-AWEZNQCLSA-N 1 2 331.485 3.806 20 0 EHADLO O=C([C@@H](F)c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103496 1137897820 /nfs/dbraw/zinc/89/78/20/1137897820.db2.gz NKUHWZJJZYHYSK-WMZOPIPTSA-N 1 2 341.430 3.636 20 0 EHADLO C[N@H+](CC(=O)N(c1ccccc1)C1CCCCC1)Cc1cccnc1 ZINC000348287060 1137899447 /nfs/dbraw/zinc/89/94/47/1137899447.db2.gz BFOMAQZDKPCXQC-UHFFFAOYSA-N 1 2 337.467 3.879 20 0 EHADLO C[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)Cc1cccnc1 ZINC000348287060 1137899448 /nfs/dbraw/zinc/89/94/48/1137899448.db2.gz BFOMAQZDKPCXQC-UHFFFAOYSA-N 1 2 337.467 3.879 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000110675383 1137902483 /nfs/dbraw/zinc/90/24/83/1137902483.db2.gz UHNLRZJQTXVNPX-QGZVFWFLSA-N 1 2 329.469 3.618 20 0 EHADLO CC(C)COc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111730786 1137905332 /nfs/dbraw/zinc/90/53/32/1137905332.db2.gz CWUAZVYYQZBXKX-UHFFFAOYSA-N 1 2 342.443 3.787 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000113264690 1137912322 /nfs/dbraw/zinc/91/23/22/1137912322.db2.gz BGIKUDBDENPQKO-QGZVFWFLSA-N 1 2 337.389 3.999 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000113264690 1137912323 /nfs/dbraw/zinc/91/23/23/1137912323.db2.gz BGIKUDBDENPQKO-QGZVFWFLSA-N 1 2 337.389 3.999 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC001202667689 1137915023 /nfs/dbraw/zinc/91/50/23/1137915023.db2.gz STYCHGNEKOYEAV-CYBMUJFWSA-N 1 2 328.243 3.687 20 0 EHADLO Cc1cc(C)c(NC(=O)N(CCO)[C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000332075510 1137930924 /nfs/dbraw/zinc/93/09/24/1137930924.db2.gz WNRKCNROHSVQCO-SFHVURJKSA-N 1 2 339.439 3.521 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)c2ccccc2)cc1 ZINC000348309615 1137932129 /nfs/dbraw/zinc/93/21/29/1137932129.db2.gz MUGYNKPYHYSZJM-JXFKEZNVSA-N 1 2 348.450 3.759 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1CC ZINC000332401867 1137942742 /nfs/dbraw/zinc/94/27/42/1137942742.db2.gz GRHQKCLCDFJDAV-MRXNPFEDSA-N 1 2 326.444 3.946 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccccn1 ZINC000119860943 1137944924 /nfs/dbraw/zinc/94/49/24/1137944924.db2.gz DPTXKQUECVCMMO-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccccn1 ZINC000119860943 1137944925 /nfs/dbraw/zinc/94/49/25/1137944925.db2.gz DPTXKQUECVCMMO-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(F)c1 ZINC000120051081 1137946242 /nfs/dbraw/zinc/94/62/42/1137946242.db2.gz YATFKROVORILEZ-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(F)c1 ZINC000120051081 1137946243 /nfs/dbraw/zinc/94/62/43/1137946243.db2.gz YATFKROVORILEZ-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c1C ZINC000120224723 1137947527 /nfs/dbraw/zinc/94/75/27/1137947527.db2.gz PLTNTBDAZGWRMN-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c1C ZINC000120224723 1137947528 /nfs/dbraw/zinc/94/75/28/1137947528.db2.gz PLTNTBDAZGWRMN-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000121232288 1137956109 /nfs/dbraw/zinc/95/61/09/1137956109.db2.gz PUXHWINYPPNPBH-HNNXBMFYSA-N 1 2 345.512 3.966 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333199051 1137957904 /nfs/dbraw/zinc/95/79/04/1137957904.db2.gz YGEXJIKXTOWJOX-SZVBFZGTSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333199051 1137957905 /nfs/dbraw/zinc/95/79/05/1137957905.db2.gz YGEXJIKXTOWJOX-SZVBFZGTSA-N 1 2 347.503 3.593 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000885587642 1138010144 /nfs/dbraw/zinc/01/01/44/1138010144.db2.gz ZKYLMQGAXGFEKG-ZNXRZULTSA-N 1 2 342.464 3.898 20 0 EHADLO C[C@H]1C[N@H+](Cn2c(=S)ncn2-c2ccccc2)Cc2ccccc21 ZINC000885771562 1138020148 /nfs/dbraw/zinc/02/01/48/1138020148.db2.gz IZYUTLBHORERES-HNNXBMFYSA-N 1 2 336.464 3.980 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c(=S)ncn2-c2ccccc2)Cc2ccccc21 ZINC000885771562 1138020150 /nfs/dbraw/zinc/02/01/50/1138020150.db2.gz IZYUTLBHORERES-HNNXBMFYSA-N 1 2 336.464 3.980 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1OC ZINC000886025873 1138033115 /nfs/dbraw/zinc/03/31/15/1138033115.db2.gz LJMFPCWJEIVVLB-UHFFFAOYSA-N 1 2 329.444 3.614 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886201860 1138058696 /nfs/dbraw/zinc/05/86/96/1138058696.db2.gz TXQPQDOITDLGDL-ZDUSSCGKSA-N 1 2 333.457 3.579 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886201860 1138058698 /nfs/dbraw/zinc/05/86/98/1138058698.db2.gz TXQPQDOITDLGDL-ZDUSSCGKSA-N 1 2 333.457 3.579 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc2cccc(Cl)c2n1)C1CCCC1 ZINC001137228004 1138067404 /nfs/dbraw/zinc/06/74/04/1138067404.db2.gz JKLWYMNVNSDRDS-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc2cccc(Cl)c2n1)C1CCCC1 ZINC001137228004 1138067407 /nfs/dbraw/zinc/06/74/07/1138067407.db2.gz JKLWYMNVNSDRDS-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc([C@@H]4CCCC(=O)N4)c3)n2c1 ZINC000886373215 1138071772 /nfs/dbraw/zinc/07/17/72/1138071772.db2.gz NQGFKJBLWZVYIN-SFHVURJKSA-N 1 2 334.423 3.596 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000066565398 1138076203 /nfs/dbraw/zinc/07/62/03/1138076203.db2.gz GNZBLGFSVVWHCA-SNVBAGLBSA-N 1 2 341.839 3.703 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000066565398 1138076205 /nfs/dbraw/zinc/07/62/05/1138076205.db2.gz GNZBLGFSVVWHCA-SNVBAGLBSA-N 1 2 341.839 3.703 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccco1 ZINC000080239021 1138161728 /nfs/dbraw/zinc/16/17/28/1138161728.db2.gz GKOAVOSRSXTUHS-CYBMUJFWSA-N 1 2 328.181 3.659 20 0 EHADLO CSCc1nnc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)[nH]1 ZINC000886753853 1138131807 /nfs/dbraw/zinc/13/18/07/1138131807.db2.gz XPSMEIPIGSEYEK-WDEREUQCSA-N 1 2 347.513 3.559 20 0 EHADLO CCC1(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078492338 1138149731 /nfs/dbraw/zinc/14/97/31/1138149731.db2.gz XTYSSLPEYWMELH-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO CCC1(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078492338 1138149733 /nfs/dbraw/zinc/14/97/33/1138149733.db2.gz XTYSSLPEYWMELH-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(C)c1 ZINC000080935439 1138165088 /nfs/dbraw/zinc/16/50/88/1138165088.db2.gz QIIFVWKLRLETKO-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(C)c1 ZINC000080935439 1138165090 /nfs/dbraw/zinc/16/50/90/1138165090.db2.gz QIIFVWKLRLETKO-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1nc(-c2cccs2)no1)CC1CC1 ZINC000084137470 1138177991 /nfs/dbraw/zinc/17/79/91/1138177991.db2.gz RDRYCFZZIKVWRA-UHFFFAOYSA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1nc(-c2cccs2)no1)CC1CC1 ZINC000084137470 1138177993 /nfs/dbraw/zinc/17/79/93/1138177993.db2.gz RDRYCFZZIKVWRA-UHFFFAOYSA-N 1 2 331.363 3.963 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(C)cs3)CC2)cc1 ZINC000088575640 1138194774 /nfs/dbraw/zinc/19/47/74/1138194774.db2.gz RAGOZJAHUCMVDQ-UHFFFAOYSA-N 1 2 330.453 3.555 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000093080924 1138233765 /nfs/dbraw/zinc/23/37/65/1138233765.db2.gz OYMAUIWVXQOSBF-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000093080924 1138233768 /nfs/dbraw/zinc/23/37/68/1138233768.db2.gz OYMAUIWVXQOSBF-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO COCCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000093339570 1138235923 /nfs/dbraw/zinc/23/59/23/1138235923.db2.gz VONLUIFTTIHANS-UHFFFAOYSA-N 1 2 348.270 3.629 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000121785101 1138249986 /nfs/dbraw/zinc/24/99/86/1138249986.db2.gz MTKVAHMCKGDJLT-AWEZNQCLSA-N 1 2 329.444 3.866 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2noc(C3CCOCC3)n2)c1C ZINC000122284285 1138256734 /nfs/dbraw/zinc/25/67/34/1138256734.db2.gz GJTHPSDMOCEESK-SFHVURJKSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2noc(C3CCOCC3)n2)c1C ZINC000122284285 1138256736 /nfs/dbraw/zinc/25/67/36/1138256736.db2.gz GJTHPSDMOCEESK-SFHVURJKSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1c[nH+]cn1C ZINC000125941615 1138319622 /nfs/dbraw/zinc/31/96/22/1138319622.db2.gz QYOUPYAFGXAKQL-HNNXBMFYSA-N 1 2 335.883 3.572 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCC1CCCC1 ZINC000126249296 1138327185 /nfs/dbraw/zinc/32/71/85/1138327185.db2.gz XBXFVWQWFMNFDD-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000263666344 1138339215 /nfs/dbraw/zinc/33/92/15/1138339215.db2.gz FMIQIHDWUCVVGC-LBPRGKRZSA-N 1 2 325.437 3.906 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000263666344 1138339219 /nfs/dbraw/zinc/33/92/19/1138339219.db2.gz FMIQIHDWUCVVGC-LBPRGKRZSA-N 1 2 325.437 3.906 20 0 EHADLO Cc1c(NC(=O)N(C)CCCn2cc[nH+]c2)cccc1C(F)(F)F ZINC000127008267 1138344691 /nfs/dbraw/zinc/34/46/91/1138344691.db2.gz ZRQKZYYCOIVRLD-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127130227 1138347732 /nfs/dbraw/zinc/34/77/32/1138347732.db2.gz RTJPLOFAKVOEKM-WBMJQRKESA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263750683 1138356199 /nfs/dbraw/zinc/35/61/99/1138356199.db2.gz GNLIVVXYMRJKQM-GOSISDBHSA-N 1 2 338.455 3.575 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127644643 1138365338 /nfs/dbraw/zinc/36/53/38/1138365338.db2.gz DTCQWWODQTXVEH-CYBMUJFWSA-N 1 2 347.846 3.684 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127644643 1138365340 /nfs/dbraw/zinc/36/53/40/1138365340.db2.gz DTCQWWODQTXVEH-CYBMUJFWSA-N 1 2 347.846 3.684 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000263841865 1138378919 /nfs/dbraw/zinc/37/89/19/1138378919.db2.gz QEFIJJSIZALFEA-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO CCCc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128094761 1138380333 /nfs/dbraw/zinc/38/03/33/1138380333.db2.gz ZJFXUKHSLIVAOV-QAPCUYQASA-N 1 2 326.444 3.951 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263934703 1138394931 /nfs/dbraw/zinc/39/49/31/1138394931.db2.gz FLGNVULRDDOJGN-MRXNPFEDSA-N 1 2 349.434 3.593 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263943705 1138395763 /nfs/dbraw/zinc/39/57/63/1138395763.db2.gz KIIXFFDKQZJCEH-LLVKDONJSA-N 1 2 335.860 3.805 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000129325293 1138409341 /nfs/dbraw/zinc/40/93/41/1138409341.db2.gz AYXBRYKNCDMKQT-AWEZNQCLSA-N 1 2 339.464 3.662 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000336888210 1138421408 /nfs/dbraw/zinc/42/14/08/1138421408.db2.gz HOSFEYOBGLHGBR-GOSISDBHSA-N 1 2 344.418 3.588 20 0 EHADLO COc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1 ZINC000336898342 1138423277 /nfs/dbraw/zinc/42/32/77/1138423277.db2.gz AIQXQNYBWRFZEY-KRWDZBQOSA-N 1 2 348.830 3.599 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1)[NH+]1CCOCC1 ZINC000264207901 1138443348 /nfs/dbraw/zinc/44/33/48/1138443348.db2.gz GKZSJGDJBFSELS-IAGOWNOFSA-N 1 2 343.471 3.558 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000337056275 1138457190 /nfs/dbraw/zinc/45/71/90/1138457190.db2.gz PNQSYHPTHVXJBD-UHFFFAOYSA-N 1 2 349.221 3.746 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000887578668 1138469009 /nfs/dbraw/zinc/46/90/09/1138469009.db2.gz BRJXIVZHBQKRQL-YJBOKZPZSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000887578668 1138469012 /nfs/dbraw/zinc/46/90/12/1138469012.db2.gz BRJXIVZHBQKRQL-YJBOKZPZSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccsc1 ZINC000337128626 1138473171 /nfs/dbraw/zinc/47/31/71/1138473171.db2.gz ABUAABZRIGISBZ-GJZGRUSLSA-N 1 2 343.496 3.791 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337134613 1138475043 /nfs/dbraw/zinc/47/50/43/1138475043.db2.gz CSUMHECXGQOTNO-WBVHZDCISA-N 1 2 329.488 3.752 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337135141 1138475852 /nfs/dbraw/zinc/47/58/52/1138475852.db2.gz DBKOUOXVOXHBEG-QGZVFWFLSA-N 1 2 349.478 3.728 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccnn1C(C)C)CC2 ZINC000337141724 1138477863 /nfs/dbraw/zinc/47/78/63/1138477863.db2.gz VZVLKQQBQIJFHX-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccnn1C(C)C)CC2 ZINC000337141724 1138477864 /nfs/dbraw/zinc/47/78/64/1138477864.db2.gz VZVLKQQBQIJFHX-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337142985 1138478454 /nfs/dbraw/zinc/47/84/54/1138478454.db2.gz XUEFOKFKPGUTHM-BRWVUGGUSA-N 1 2 329.488 3.752 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337144789 1138478696 /nfs/dbraw/zinc/47/86/96/1138478696.db2.gz WVGKQGQMOJEQKZ-HXUWFJFHSA-N 1 2 348.450 3.785 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337144789 1138478699 /nfs/dbraw/zinc/47/86/99/1138478699.db2.gz WVGKQGQMOJEQKZ-HXUWFJFHSA-N 1 2 348.450 3.785 20 0 EHADLO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137244996 1138485476 /nfs/dbraw/zinc/48/54/76/1138485476.db2.gz FIIQGEASVODGGV-INIZCTEOSA-N 1 2 347.418 3.537 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)cc1F ZINC000337181272 1138488197 /nfs/dbraw/zinc/48/81/97/1138488197.db2.gz MKQWDUYSKVLMCE-KRWDZBQOSA-N 1 2 328.366 3.786 20 0 EHADLO Cc1cc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000337254202 1138509521 /nfs/dbraw/zinc/50/95/21/1138509521.db2.gz PXESGOYQMQNUEH-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)o1 ZINC000337259469 1138511833 /nfs/dbraw/zinc/51/18/33/1138511833.db2.gz PCRLJZOWTJACDW-GFCCVEGCSA-N 1 2 330.819 3.888 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)c(F)c(F)c1F ZINC000337264095 1138513367 /nfs/dbraw/zinc/51/33/67/1138513367.db2.gz ZMHBWQMRHRBQRB-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2)o1 ZINC000131447773 1138518381 /nfs/dbraw/zinc/51/83/81/1138518381.db2.gz XJKWISDBEQNZBF-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2)o1 ZINC000131447773 1138518385 /nfs/dbraw/zinc/51/83/85/1138518385.db2.gz XJKWISDBEQNZBF-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO CCC1(CO)CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000337293743 1138522805 /nfs/dbraw/zinc/52/28/05/1138522805.db2.gz HDSFSSXBCAWFOM-UHFFFAOYSA-N 1 2 348.231 3.712 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552496 1138588841 /nfs/dbraw/zinc/58/88/41/1138588841.db2.gz YHLAVYHHEROLHO-SJORKVTESA-N 1 2 347.462 3.933 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552496 1138588845 /nfs/dbraw/zinc/58/88/45/1138588845.db2.gz YHLAVYHHEROLHO-SJORKVTESA-N 1 2 347.462 3.933 20 0 EHADLO O=C(c1cccn1C1CCCC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337576293 1138610547 /nfs/dbraw/zinc/61/05/47/1138610547.db2.gz GHNAKVVKVNAKRR-SFHVURJKSA-N 1 2 341.430 3.529 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264722208 1138617340 /nfs/dbraw/zinc/61/73/40/1138617340.db2.gz LKNKWKCKKOORPL-CQSZACIVSA-N 1 2 328.416 3.528 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C)c2)c1C ZINC000337631157 1138627135 /nfs/dbraw/zinc/62/71/35/1138627135.db2.gz OQDMSXZBKIUDBN-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)c2)c1C ZINC000337631157 1138627137 /nfs/dbraw/zinc/62/71/37/1138627137.db2.gz OQDMSXZBKIUDBN-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264800195 1138642924 /nfs/dbraw/zinc/64/29/24/1138642924.db2.gz ULAZTHJYGPYMBD-LEWJYISDSA-N 1 2 345.446 3.998 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000133713657 1138652702 /nfs/dbraw/zinc/65/27/02/1138652702.db2.gz DMWPCOWKKGZEBJ-IBGZPJMESA-N 1 2 340.471 3.846 20 0 EHADLO CCc1ccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)o1 ZINC000134159103 1138675856 /nfs/dbraw/zinc/67/58/56/1138675856.db2.gz WGQYZJLNRMBMCH-UHFFFAOYSA-N 1 2 346.475 3.626 20 0 EHADLO C[C@@H](Cc1c(Cl)cccc1Cl)Nc1[nH+]cnc2c1cnn2C ZINC000337887986 1138691036 /nfs/dbraw/zinc/69/10/36/1138691036.db2.gz ZHFTYCCLVICFIO-VIFPVBQESA-N 1 2 336.226 3.713 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000337936439 1138701870 /nfs/dbraw/zinc/70/18/70/1138701870.db2.gz BUVQGQVLDNMMCV-MFKMUULPSA-N 1 2 334.210 3.638 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000265111924 1138732424 /nfs/dbraw/zinc/73/24/24/1138732424.db2.gz HUAJSKJDUJQHMN-PMACEKPBSA-N 1 2 336.435 3.692 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000265111924 1138732428 /nfs/dbraw/zinc/73/24/28/1138732428.db2.gz HUAJSKJDUJQHMN-PMACEKPBSA-N 1 2 336.435 3.692 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000338059696 1138736952 /nfs/dbraw/zinc/73/69/52/1138736952.db2.gz KXFDGEQCKIVLJP-UHFFFAOYSA-N 1 2 325.343 3.843 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000338112309 1138754761 /nfs/dbraw/zinc/75/47/61/1138754761.db2.gz LBHAYQHLPCRBGG-AWEZNQCLSA-N 1 2 333.391 3.530 20 0 EHADLO Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1nccn1CC(F)(F)F ZINC000338189853 1138780719 /nfs/dbraw/zinc/78/07/19/1138780719.db2.gz PEGCQHDNRZFEHN-LBPRGKRZSA-N 1 2 331.288 3.501 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000826584015 1138786556 /nfs/dbraw/zinc/78/65/56/1138786556.db2.gz CSTRZPVIQZBOQA-UXHICEINSA-N 1 2 347.462 3.885 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000338311789 1138829193 /nfs/dbraw/zinc/82/91/93/1138829193.db2.gz CPZGNJRKMGTOSW-YOEHRIQHSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000338311789 1138829197 /nfs/dbraw/zinc/82/91/97/1138829197.db2.gz CPZGNJRKMGTOSW-YOEHRIQHSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1cc(C)c(NC(=O)CN(C)c2cc(C)[nH+]c(C3CC3)n2)c(C)c1 ZINC000265399649 1138856129 /nfs/dbraw/zinc/85/61/29/1138856129.db2.gz XPEXJYYFYLRRHK-UHFFFAOYSA-N 1 2 338.455 3.663 20 0 EHADLO CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379936 1138874622 /nfs/dbraw/zinc/87/46/22/1138874622.db2.gz KRDDAHYGZLQDSC-YJBOKZPZSA-N 1 2 343.471 3.753 20 0 EHADLO CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379936 1138874627 /nfs/dbraw/zinc/87/46/27/1138874627.db2.gz KRDDAHYGZLQDSC-YJBOKZPZSA-N 1 2 343.471 3.753 20 0 EHADLO CCc1ccccc1[C@H]1C[C@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000338523296 1138955541 /nfs/dbraw/zinc/95/55/41/1138955541.db2.gz KJBZKTUMDUALBK-NHCUHLMSSA-N 1 2 345.446 3.855 20 0 EHADLO Fc1cc2ncc(NCc3cc[nH+]c(N4CCCC4)c3)nc2cc1F ZINC000265546278 1138956853 /nfs/dbraw/zinc/95/68/53/1138956853.db2.gz PQFRIEJOTSKGEQ-UHFFFAOYSA-N 1 2 341.365 3.515 20 0 EHADLO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1F ZINC000150758506 1138979627 /nfs/dbraw/zinc/97/96/27/1138979627.db2.gz ANQHXTUICXJRPS-UHFFFAOYSA-N 1 2 349.431 3.529 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000151555256 1139043423 /nfs/dbraw/zinc/04/34/23/1139043423.db2.gz LCQQWYYEAUTTHF-DCGLDWPTSA-N 1 2 348.397 3.515 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000151714844 1139053639 /nfs/dbraw/zinc/05/36/39/1139053639.db2.gz WBEFEXHDJPBILY-KUHUBIRLSA-N 1 2 344.430 3.628 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000153634852 1139145770 /nfs/dbraw/zinc/14/57/70/1139145770.db2.gz CRNSRWIVJYKJFA-NSHDSACASA-N 1 2 343.374 3.561 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000153792688 1139151972 /nfs/dbraw/zinc/15/19/72/1139151972.db2.gz HSVFNTYYKCYXAP-YQVWRLOYSA-N 1 2 340.471 3.588 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCCC2(CC2)CC1 ZINC000889541675 1139228067 /nfs/dbraw/zinc/22/80/67/1139228067.db2.gz QMZFLAGOKDPOBM-QAQDUYKDSA-N 1 2 342.487 3.780 20 0 EHADLO CN(Cc1ccsc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889563177 1139235891 /nfs/dbraw/zinc/23/58/91/1139235891.db2.gz YYBQRQHOWHBUEW-WKILWMFISA-N 1 2 344.484 3.708 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)[nH+]c1C ZINC001137260413 1139302612 /nfs/dbraw/zinc/30/26/12/1139302612.db2.gz FKYONYUAJRCJLA-UHFFFAOYSA-N 1 2 340.814 3.672 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000826683207 1139313651 /nfs/dbraw/zinc/31/36/51/1139313651.db2.gz ULDLOLVWDBPDOR-CYBMUJFWSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000826683207 1139313659 /nfs/dbraw/zinc/31/36/59/1139313659.db2.gz ULDLOLVWDBPDOR-CYBMUJFWSA-N 1 2 340.370 3.683 20 0 EHADLO CN(C[C@H]1CC=CCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255251 1139331969 /nfs/dbraw/zinc/33/19/69/1139331969.db2.gz PQUQHPJBIZPWEN-HKUYNNGSSA-N 1 2 338.455 3.622 20 0 EHADLO CCSCc1ccccc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826695371 1139360040 /nfs/dbraw/zinc/36/00/40/1139360040.db2.gz HGRWWUTVRWSFBQ-IBGZPJMESA-N 1 2 340.492 3.856 20 0 EHADLO CCSCc1ccccc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826695371 1139360047 /nfs/dbraw/zinc/36/00/47/1139360047.db2.gz HGRWWUTVRWSFBQ-IBGZPJMESA-N 1 2 340.492 3.856 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)cnc1Cl ZINC000826696777 1139364254 /nfs/dbraw/zinc/36/42/54/1139364254.db2.gz QASIGFOCXLDHOJ-QGZVFWFLSA-N 1 2 341.842 3.529 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)cnc1Cl ZINC000826696777 1139364261 /nfs/dbraw/zinc/36/42/61/1139364261.db2.gz QASIGFOCXLDHOJ-QGZVFWFLSA-N 1 2 341.842 3.529 20 0 EHADLO Cn1ccc2ccc(NC(=O)NCCCCNc3cccc[nH+]3)cc21 ZINC000173807003 1139379623 /nfs/dbraw/zinc/37/96/23/1139379623.db2.gz PFNUQGPFOOVZLI-UHFFFAOYSA-N 1 2 337.427 3.587 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1cccc(O)c1 ZINC000174617860 1139430977 /nfs/dbraw/zinc/43/09/77/1139430977.db2.gz AHEKKNRCGTXCRX-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1cccc(O)c1 ZINC000174617860 1139430981 /nfs/dbraw/zinc/43/09/81/1139430981.db2.gz AHEKKNRCGTXCRX-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175255819 1139476577 /nfs/dbraw/zinc/47/65/77/1139476577.db2.gz XVGXHBWXZSAHDR-STQMWFEESA-N 1 2 333.457 3.528 20 0 EHADLO CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000175860700 1139523398 /nfs/dbraw/zinc/52/33/98/1139523398.db2.gz XVQSNVSVNWSILP-CABCVRRESA-N 1 2 349.500 3.952 20 0 EHADLO CCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000175860700 1139523404 /nfs/dbraw/zinc/52/34/04/1139523404.db2.gz XVQSNVSVNWSILP-CABCVRRESA-N 1 2 349.500 3.952 20 0 EHADLO CC(C)n1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000177157824 1139600227 /nfs/dbraw/zinc/60/02/27/1139600227.db2.gz OGJBECTZVMEZHT-IBGZPJMESA-N 1 2 339.439 3.793 20 0 EHADLO CC(C)n1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000177157824 1139600230 /nfs/dbraw/zinc/60/02/30/1139600230.db2.gz OGJBECTZVMEZHT-IBGZPJMESA-N 1 2 339.439 3.793 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C)o1 ZINC000177565583 1139627123 /nfs/dbraw/zinc/62/71/23/1139627123.db2.gz ZRLCVBPETVCPJL-QGZVFWFLSA-N 1 2 345.830 3.904 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780294 1139641120 /nfs/dbraw/zinc/64/11/20/1139641120.db2.gz YHHLIEHDESJJAE-OAHLLOKOSA-N 1 2 340.452 3.615 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177791122 1139641449 /nfs/dbraw/zinc/64/14/49/1139641449.db2.gz OFTBHOLSNVZSJW-SFHVURJKSA-N 1 2 334.423 3.689 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3ncc(Cl)n3C)c(C)c2c1 ZINC000178449029 1139696239 /nfs/dbraw/zinc/69/62/39/1139696239.db2.gz PMBOTZIWYXFLGJ-LLVKDONJSA-N 1 2 333.819 3.988 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000179652455 1139772247 /nfs/dbraw/zinc/77/22/47/1139772247.db2.gz GPYJNNATOPUXHV-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000179652455 1139772252 /nfs/dbraw/zinc/77/22/52/1139772252.db2.gz GPYJNNATOPUXHV-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000180119812 1139811536 /nfs/dbraw/zinc/81/15/36/1139811536.db2.gz ZHPFWXZUQAYDDL-KRWDZBQOSA-N 1 2 325.456 3.706 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc(COC)no1)c1cccc(C(F)(F)F)c1 ZINC000180249534 1139820344 /nfs/dbraw/zinc/82/03/44/1139820344.db2.gz JNTLZVCKOZKDSO-CYBMUJFWSA-N 1 2 343.349 3.866 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1C ZINC000180278698 1139824145 /nfs/dbraw/zinc/82/41/45/1139824145.db2.gz SJMZZWOSALFNAN-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1C ZINC000180278698 1139824151 /nfs/dbraw/zinc/82/41/51/1139824151.db2.gz SJMZZWOSALFNAN-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO C[C@H](Cc1nnc(SCCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000180431016 1139834079 /nfs/dbraw/zinc/83/40/79/1139834079.db2.gz WLACCVLRKQTASP-CQSZACIVSA-N 1 2 328.441 3.795 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc2c(c1)OCCO2 ZINC000180620146 1139849611 /nfs/dbraw/zinc/84/96/11/1139849611.db2.gz DOLWZLYZSBQAQS-SMDDNHRTSA-N 1 2 329.400 3.520 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(C(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180639162 1139852086 /nfs/dbraw/zinc/85/20/86/1139852086.db2.gz YCARSTRERSEDIA-JSGCOSHPSA-N 1 2 331.416 3.766 20 0 EHADLO CCCCc1noc([C@@H](C)[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)n1 ZINC000180635591 1139853041 /nfs/dbraw/zinc/85/30/41/1139853041.db2.gz XAPJXFPMLCHJDU-UKRRQHHQSA-N 1 2 345.443 3.985 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180950607 1139874239 /nfs/dbraw/zinc/87/42/39/1139874239.db2.gz LMZCLJZZWQWAKX-JTQLQIEISA-N 1 2 341.333 3.739 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181209623 1139892663 /nfs/dbraw/zinc/89/26/63/1139892663.db2.gz RQRLPQIIPGVIBM-OCCSQVGLSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181209623 1139892672 /nfs/dbraw/zinc/89/26/72/1139892672.db2.gz RQRLPQIIPGVIBM-OCCSQVGLSA-N 1 2 337.427 3.764 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181287052 1139898094 /nfs/dbraw/zinc/89/80/94/1139898094.db2.gz HOYKLRBQYQYQOM-QWHCGFSZSA-N 1 2 344.415 3.561 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182808214 1139993618 /nfs/dbraw/zinc/99/36/18/1139993618.db2.gz JSJYOFSLGNBORN-ZDUSSCGKSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182808214 1139993622 /nfs/dbraw/zinc/99/36/22/1139993622.db2.gz JSJYOFSLGNBORN-ZDUSSCGKSA-N 1 2 341.381 3.516 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[C@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC000183186333 1140019703 /nfs/dbraw/zinc/01/97/03/1140019703.db2.gz WVCHTNDUVNWQJH-ZDUSSCGKSA-N 1 2 343.427 3.545 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184147194 1140082948 /nfs/dbraw/zinc/08/29/48/1140082948.db2.gz DTSLKMMCJKRFDK-GOSISDBHSA-N 1 2 344.455 3.838 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)n1 ZINC000184325175 1140096111 /nfs/dbraw/zinc/09/61/11/1140096111.db2.gz NBGLHNSZVHRKKM-LBPRGKRZSA-N 1 2 341.411 3.659 20 0 EHADLO Cc1cc2occ(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2cc1C ZINC000184828415 1140121504 /nfs/dbraw/zinc/12/15/04/1140121504.db2.gz YKKBMBXTCSEUFE-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO Cc1cc2occ(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2cc1C ZINC000184828415 1140121506 /nfs/dbraw/zinc/12/15/06/1140121506.db2.gz YKKBMBXTCSEUFE-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)o1 ZINC000184859200 1140123497 /nfs/dbraw/zinc/12/34/97/1140123497.db2.gz RHMQHDVEVRKJGK-YJBOKZPZSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)s1 ZINC000185036879 1140132587 /nfs/dbraw/zinc/13/25/87/1140132587.db2.gz DDQOCBFZLKTRGX-CQSZACIVSA-N 1 2 331.485 3.688 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000185029248 1140132592 /nfs/dbraw/zinc/13/25/92/1140132592.db2.gz RCBJAWAZQMDWOM-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185138627 1140137424 /nfs/dbraw/zinc/13/74/24/1140137424.db2.gz RIWXLLZNTUVNMY-FYWRMAATSA-N 1 2 327.428 3.893 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000185812009 1140171610 /nfs/dbraw/zinc/17/16/10/1140171610.db2.gz GXXPMRREQPXFBD-JTQLQIEISA-N 1 2 345.752 3.621 20 0 EHADLO Cc1cc(N[C@H](c2cnn(C)c2)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000185897812 1140176024 /nfs/dbraw/zinc/17/60/24/1140176024.db2.gz WTDYJYNYLOWTHP-SFHVURJKSA-N 1 2 337.402 3.737 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000186152700 1140189110 /nfs/dbraw/zinc/18/91/10/1140189110.db2.gz GLPDPMLFHNRVEL-ZDUSSCGKSA-N 1 2 343.452 3.802 20 0 EHADLO COC(=O)c1occc1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186568312 1140210674 /nfs/dbraw/zinc/21/06/74/1140210674.db2.gz NVKOKBLCIMPLEH-UHFFFAOYSA-N 1 2 325.767 3.884 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187876921 1140275321 /nfs/dbraw/zinc/27/53/21/1140275321.db2.gz QQUDTAVCFYXGPZ-OAHLLOKOSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187876921 1140275325 /nfs/dbraw/zinc/27/53/25/1140275325.db2.gz QQUDTAVCFYXGPZ-OAHLLOKOSA-N 1 2 340.851 3.860 20 0 EHADLO OCCC[C@H]([NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccccc1 ZINC000188061114 1140281824 /nfs/dbraw/zinc/28/18/24/1140281824.db2.gz ZEEVJGBVPXDSHJ-RBUKOAKNSA-N 1 2 339.414 3.742 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189142151 1140322810 /nfs/dbraw/zinc/32/28/10/1140322810.db2.gz JBCZRKSPPDEFOD-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189142151 1140322818 /nfs/dbraw/zinc/32/28/18/1140322818.db2.gz JBCZRKSPPDEFOD-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO CC(C)([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1nccs1 ZINC000189212661 1140327330 /nfs/dbraw/zinc/32/73/30/1140327330.db2.gz BQKMGUUPXBTXHW-UHFFFAOYSA-N 1 2 330.432 3.552 20 0 EHADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)c(Cl)s1 ZINC000191212677 1140445156 /nfs/dbraw/zinc/44/51/56/1140445156.db2.gz UKAFAIZWYWAIHU-JVHMLUBASA-N 1 2 336.682 3.652 20 0 EHADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(Cl)s1 ZINC000191212677 1140445160 /nfs/dbraw/zinc/44/51/60/1140445160.db2.gz UKAFAIZWYWAIHU-JVHMLUBASA-N 1 2 336.682 3.652 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c(Cl)c1 ZINC000192192995 1140509360 /nfs/dbraw/zinc/50/93/60/1140509360.db2.gz XCICPHNEISJOFP-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c(Cl)c1 ZINC000192192995 1140509367 /nfs/dbraw/zinc/50/93/67/1140509367.db2.gz XCICPHNEISJOFP-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000192252159 1140515247 /nfs/dbraw/zinc/51/52/47/1140515247.db2.gz FEMFTUIOQCDFOB-FQEVSTJZSA-N 1 2 339.483 3.878 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000192254722 1140515360 /nfs/dbraw/zinc/51/53/60/1140515360.db2.gz BURUWQALISCHEM-OAHLLOKOSA-N 1 2 331.435 3.627 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000193661939 1140582444 /nfs/dbraw/zinc/58/24/44/1140582444.db2.gz SEQQLUSCDFPXFB-LJQANCHMSA-N 1 2 325.456 3.791 20 0 EHADLO COc1cc(CNc2ccccc2OCCn2cc[nH+]c2)ccc1C ZINC000194139777 1140598682 /nfs/dbraw/zinc/59/86/82/1140598682.db2.gz BSLZFKMUFWVIBL-UHFFFAOYSA-N 1 2 337.423 3.891 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194129139 1140599068 /nfs/dbraw/zinc/59/90/68/1140599068.db2.gz BRABFAZLNIILSZ-AEFFLSMTSA-N 1 2 329.488 3.503 20 0 EHADLO CC1CCC(C)(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000357507219 1140639858 /nfs/dbraw/zinc/63/98/58/1140639858.db2.gz WRXXTOOUZDNYLR-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cccc(Br)c2)cs1 ZINC000266195223 1140654015 /nfs/dbraw/zinc/65/40/15/1140654015.db2.gz JUKHSBJRPVNHCS-JTQLQIEISA-N 1 2 341.274 3.903 20 0 EHADLO C/C(=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000266281093 1140662992 /nfs/dbraw/zinc/66/29/92/1140662992.db2.gz UXIYMJLKVISGHF-RPHSKFLZSA-N 1 2 337.345 3.510 20 0 EHADLO CC(C)(C)c1cnc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)o1 ZINC000267018390 1140750897 /nfs/dbraw/zinc/75/08/97/1140750897.db2.gz JHQHTKVQVWUBIY-UHFFFAOYSA-N 1 2 348.410 3.713 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000267042370 1140753769 /nfs/dbraw/zinc/75/37/69/1140753769.db2.gz HSFGJYCQHMEHJK-DYVFJYSZSA-N 1 2 347.256 3.979 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000267042370 1140753773 /nfs/dbraw/zinc/75/37/73/1140753773.db2.gz HSFGJYCQHMEHJK-DYVFJYSZSA-N 1 2 347.256 3.979 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(Br)s2)cs1 ZINC000267605657 1140809190 /nfs/dbraw/zinc/80/91/90/1140809190.db2.gz GEQDQKFOCLPWOH-MRVPVSSYSA-N 1 2 347.303 3.964 20 0 EHADLO CCCOc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267427119 1140790154 /nfs/dbraw/zinc/79/01/54/1140790154.db2.gz FQNTZGMUSGLSCG-UHFFFAOYSA-N 1 2 328.416 3.610 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(Br)cs2)cs1 ZINC000267642794 1140814636 /nfs/dbraw/zinc/81/46/36/1140814636.db2.gz RHOXDADHDIKMHM-MRVPVSSYSA-N 1 2 347.303 3.964 20 0 EHADLO CC[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000267693379 1140821783 /nfs/dbraw/zinc/82/17/83/1140821783.db2.gz FAOOVDGAHSNCPJ-IUODEOHRSA-N 1 2 339.361 3.600 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCC(C)(C)CC1 ZINC000268087348 1140880275 /nfs/dbraw/zinc/88/02/75/1140880275.db2.gz SALLXFFZGYPXGT-UHFFFAOYSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)cc1 ZINC000268206229 1140903093 /nfs/dbraw/zinc/90/30/93/1140903093.db2.gz JWVZYNBEQYZTFW-QGZVFWFLSA-N 1 2 346.434 3.800 20 0 EHADLO CN(C)c1ncc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cn1 ZINC000268333055 1140922017 /nfs/dbraw/zinc/92/20/17/1140922017.db2.gz JDXXDUCEMGPYRA-UHFFFAOYSA-N 1 2 337.254 3.628 20 0 EHADLO CC(C)COc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268366012 1140927552 /nfs/dbraw/zinc/92/75/52/1140927552.db2.gz IPNPVJZAAOFOAW-LPHOPBHVSA-N 1 2 341.455 3.641 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268397520 1140932692 /nfs/dbraw/zinc/93/26/92/1140932692.db2.gz OQQOKRLIDWFIHC-JTQLQIEISA-N 1 2 341.308 3.587 20 0 EHADLO Cc1c(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cnn1C ZINC000268913770 1141024014 /nfs/dbraw/zinc/02/40/14/1141024014.db2.gz OWATYGJVFKFEED-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1c(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cnn1C ZINC000268913770 1141024022 /nfs/dbraw/zinc/02/40/22/1141024022.db2.gz OWATYGJVFKFEED-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO COc1cc(-c2noc(C[N@H+](C)Cc3cccs3)n2)ccc1C ZINC000269424077 1141106479 /nfs/dbraw/zinc/10/64/79/1141106479.db2.gz XZMXDMCUTIFZEY-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1cc(-c2noc(C[N@@H+](C)Cc3cccs3)n2)ccc1C ZINC000269424077 1141106485 /nfs/dbraw/zinc/10/64/85/1141106485.db2.gz XZMXDMCUTIFZEY-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CCSc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000269759301 1141141144 /nfs/dbraw/zinc/14/11/44/1141141144.db2.gz WPDABOKGGVSLNH-UHFFFAOYSA-N 1 2 343.496 3.745 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000269783288 1141143729 /nfs/dbraw/zinc/14/37/29/1141143729.db2.gz CPWGANOVUREQIG-LJQANCHMSA-N 1 2 325.456 3.677 20 0 EHADLO CC(C)(C)O[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000270023965 1141169021 /nfs/dbraw/zinc/16/90/21/1141169021.db2.gz OWMXHQPCDPJIGF-SJORKVTESA-N 1 2 341.455 3.672 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@H]3CCCc4occc43)nn2)c(Cl)c1 ZINC000270236724 1141195099 /nfs/dbraw/zinc/19/50/99/1141195099.db2.gz PDVGSUZQBRRMHB-HNNXBMFYSA-N 1 2 346.793 3.820 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC(C1CC1)C1CC1 ZINC000270317347 1141206139 /nfs/dbraw/zinc/20/61/39/1141206139.db2.gz KCDGQTFXMQLXFY-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270332511 1141208030 /nfs/dbraw/zinc/20/80/30/1141208030.db2.gz XZSUWNNYFRJESH-NRMKIYEFSA-N 1 2 329.831 3.873 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270380040 1141215483 /nfs/dbraw/zinc/21/54/83/1141215483.db2.gz VTMAGPYUWUOSFE-OAHLLOKOSA-N 1 2 336.439 3.866 20 0 EHADLO CC(C)c1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n[nH]1 ZINC000270526448 1141235160 /nfs/dbraw/zinc/23/51/60/1141235160.db2.gz UPZYOLFCOUEPBJ-UHFFFAOYSA-N 1 2 347.422 3.701 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270599537 1141243031 /nfs/dbraw/zinc/24/30/31/1141243031.db2.gz DPFSIKSVBYUYMO-KBXCAEBGSA-N 1 2 338.455 3.622 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c(F)c1 ZINC000270610687 1141245243 /nfs/dbraw/zinc/24/52/43/1141245243.db2.gz NEZQFLZJHFKYLP-UHFFFAOYSA-N 1 2 334.366 3.874 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1OCC ZINC000270639856 1141249485 /nfs/dbraw/zinc/24/94/85/1141249485.db2.gz HVWDHSGULCNMMJ-AWEZNQCLSA-N 1 2 346.475 3.796 20 0 EHADLO COCCn1cc(C[N@H+](Cc2ccco2)Cc2cccc(C)c2)cn1 ZINC000271035861 1141298569 /nfs/dbraw/zinc/29/85/69/1141298569.db2.gz GBEPXPFPFHLAOF-UHFFFAOYSA-N 1 2 339.439 3.633 20 0 EHADLO COCCn1cc(C[N@@H+](Cc2ccco2)Cc2cccc(C)c2)cn1 ZINC000271035861 1141298575 /nfs/dbraw/zinc/29/85/75/1141298575.db2.gz GBEPXPFPFHLAOF-UHFFFAOYSA-N 1 2 339.439 3.633 20 0 EHADLO CCC[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1CCc2sccc2C1 ZINC000271061006 1141302286 /nfs/dbraw/zinc/30/22/86/1141302286.db2.gz CAYWSGXCXGITMS-GXTWGEPZSA-N 1 2 349.525 3.609 20 0 EHADLO CCCc1nc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000271081266 1141306035 /nfs/dbraw/zinc/30/60/35/1141306035.db2.gz RKBWRZYFBRGHQR-UHFFFAOYSA-N 1 2 335.411 3.549 20 0 EHADLO NC(=O)c1csc(C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000271237906 1141330499 /nfs/dbraw/zinc/33/04/99/1141330499.db2.gz FCDHWAFYKJVEJA-UHFFFAOYSA-N 1 2 330.428 3.666 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271249627 1141333019 /nfs/dbraw/zinc/33/30/19/1141333019.db2.gz WLOZCZPGSKTTBQ-LBPRGKRZSA-N 1 2 337.366 3.807 20 0 EHADLO c1cn(Cc2cccc(-c3noc([C@H]4CCCCS4)n3)c2)c[nH+]1 ZINC000273809312 1141424464 /nfs/dbraw/zinc/42/44/64/1141424464.db2.gz VUBQTXJHQTWOQR-OAHLLOKOSA-N 1 2 326.425 3.940 20 0 EHADLO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)c3ccco3)nc12 ZINC000274123280 1141477361 /nfs/dbraw/zinc/47/73/61/1141477361.db2.gz AUQGTNAJIMUGLA-LLVKDONJSA-N 1 2 334.217 3.849 20 0 EHADLO CCn1cc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cn1 ZINC000274228739 1141487658 /nfs/dbraw/zinc/48/76/58/1141487658.db2.gz DNWGRNACKOKNSA-UHFFFAOYSA-N 1 2 346.438 3.503 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000274296976 1141494665 /nfs/dbraw/zinc/49/46/65/1141494665.db2.gz IPUWKMABJONUOP-UHFFFAOYSA-N 1 2 337.448 3.993 20 0 EHADLO CC1=CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000339195329 1141524529 /nfs/dbraw/zinc/52/45/29/1141524529.db2.gz LMEYEKQODUGOLW-CQSZACIVSA-N 1 2 334.489 3.559 20 0 EHADLO CC1=CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000339195329 1141524532 /nfs/dbraw/zinc/52/45/32/1141524532.db2.gz LMEYEKQODUGOLW-CQSZACIVSA-N 1 2 334.489 3.559 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000274484099 1141541951 /nfs/dbraw/zinc/54/19/51/1141541951.db2.gz NHTSVXSYPFRQSX-MRXNPFEDSA-N 1 2 341.846 3.801 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000274484099 1141541954 /nfs/dbraw/zinc/54/19/54/1141541954.db2.gz NHTSVXSYPFRQSX-MRXNPFEDSA-N 1 2 341.846 3.801 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC ZINC000348699033 1141567565 /nfs/dbraw/zinc/56/75/65/1141567565.db2.gz ACUPZBNFWLFTNB-QGZVFWFLSA-N 1 2 329.444 3.934 20 0 EHADLO CCCOc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC ZINC000348699033 1141567567 /nfs/dbraw/zinc/56/75/67/1141567567.db2.gz ACUPZBNFWLFTNB-QGZVFWFLSA-N 1 2 329.444 3.934 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC(C)C ZINC000348701184 1141567804 /nfs/dbraw/zinc/56/78/04/1141567804.db2.gz CJOFEAHHNPQFFE-KRWDZBQOSA-N 1 2 329.444 3.933 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC(C)C ZINC000348701184 1141567807 /nfs/dbraw/zinc/56/78/07/1141567807.db2.gz CJOFEAHHNPQFFE-KRWDZBQOSA-N 1 2 329.444 3.933 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](c2ccccc2)C1 ZINC000348857941 1141597295 /nfs/dbraw/zinc/59/72/95/1141597295.db2.gz JNRAPUCOKBRQOZ-IBGZPJMESA-N 1 2 331.419 3.892 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccnc1)OCO2 ZINC000348897629 1141606145 /nfs/dbraw/zinc/60/61/45/1141606145.db2.gz WGFPGXSNVPIUPO-CQSZACIVSA-N 1 2 348.349 3.749 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccnc1)OCO2 ZINC000348897629 1141606149 /nfs/dbraw/zinc/60/61/49/1141606149.db2.gz WGFPGXSNVPIUPO-CQSZACIVSA-N 1 2 348.349 3.749 20 0 EHADLO Ic1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000020360884 202039625 /nfs/dbraw/zinc/03/96/25/202039625.db2.gz DPNDPUDJQSHWRX-UHFFFAOYSA-N 1 2 349.175 3.551 20 0 EHADLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N1c2ccccc2C[C@H]1C ZINC000026371975 202141805 /nfs/dbraw/zinc/14/18/05/202141805.db2.gz ZNFUWKKQDQZLQN-ZIAGYGMSSA-N 1 2 337.448 3.793 20 0 EHADLO O=C(Nc1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000028579921 202172235 /nfs/dbraw/zinc/17/22/35/202172235.db2.gz QNGAUFMZPJCEOK-UHFFFAOYSA-N 1 2 329.831 3.690 20 0 EHADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc(C3CCCCCC3)[nH]n1)CC2 ZINC000625714598 480019630 /nfs/dbraw/zinc/01/96/30/480019630.db2.gz PTUDVGXDNNXZHG-HNNXBMFYSA-N 1 2 341.459 3.554 20 0 EHADLO CCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000033280227 521895048 /nfs/dbraw/zinc/89/50/48/521895048.db2.gz XIXUWGRLGMGRMT-UHFFFAOYSA-N 1 2 338.455 3.956 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277782851 564138228 /nfs/dbraw/zinc/13/82/28/564138228.db2.gz MMJFIEYFQZAWFG-GFCCVEGCSA-N 1 2 341.381 3.586 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277782851 564138229 /nfs/dbraw/zinc/13/82/29/564138229.db2.gz MMJFIEYFQZAWFG-GFCCVEGCSA-N 1 2 341.381 3.586 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H](CC(C)C)C1 ZINC000822331268 599686973 /nfs/dbraw/zinc/68/69/73/599686973.db2.gz AUDRRCCCYPCGKK-AWEZNQCLSA-N 1 2 336.443 3.596 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413429 606173213 /nfs/dbraw/zinc/17/32/13/606173213.db2.gz PVONXBZBMUQJTA-NEPJUHHUSA-N 1 2 340.431 3.564 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530474 609327285 /nfs/dbraw/zinc/32/72/85/609327285.db2.gz LXRWPCYSBCBONF-ZJUUUORDSA-N 1 2 347.344 3.696 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H]1c1ccco1 ZINC000822331954 946056898 /nfs/dbraw/zinc/05/68/98/946056898.db2.gz JVVUHQPRHXAANU-HNNXBMFYSA-N 1 2 346.394 3.658 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)cn1 ZINC000536668666 1032066803 /nfs/dbraw/zinc/06/68/03/1032066803.db2.gz MEXVQDKCUTYQOB-UHFFFAOYSA-N 1 2 337.471 3.844 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)cn1 ZINC000536668666 1032066816 /nfs/dbraw/zinc/06/68/16/1032066816.db2.gz MEXVQDKCUTYQOB-UHFFFAOYSA-N 1 2 337.471 3.844 20 0 EHADLO CC(=O)c1csc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183185817 1125468377 /nfs/dbraw/zinc/46/83/77/1125468377.db2.gz PHCLANVBVUZNGB-KRWDZBQOSA-N 1 2 343.448 3.772 20 0 EHADLO CC(=O)c1csc(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000183185817 1125468379 /nfs/dbraw/zinc/46/83/79/1125468379.db2.gz PHCLANVBVUZNGB-KRWDZBQOSA-N 1 2 343.448 3.772 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000649752590 1125475495 /nfs/dbraw/zinc/47/54/95/1125475495.db2.gz MKNABJVTNIRAAM-MOPGFXCFSA-N 1 2 342.483 3.592 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459409674 1032074186 /nfs/dbraw/zinc/07/41/86/1032074186.db2.gz ROWVIKAHLHCBIE-HNNXBMFYSA-N 1 2 340.452 3.855 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449036337 1032075615 /nfs/dbraw/zinc/07/56/15/1032075615.db2.gz SZHYDCRRAKHBSU-FQEVSTJZSA-N 1 2 343.492 3.644 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449036337 1032075631 /nfs/dbraw/zinc/07/56/31/1032075631.db2.gz SZHYDCRRAKHBSU-FQEVSTJZSA-N 1 2 343.492 3.644 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000654700490 1014131584 /nfs/dbraw/zinc/13/15/84/1014131584.db2.gz LYILKVQIRKWGSB-NSHDSACASA-N 1 2 339.361 3.659 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000654700490 1014131587 /nfs/dbraw/zinc/13/15/87/1014131587.db2.gz LYILKVQIRKWGSB-NSHDSACASA-N 1 2 339.361 3.659 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(-c4ccco4)nc3C)ccc2[nH+]1 ZINC000339269299 1014135538 /nfs/dbraw/zinc/13/55/38/1014135538.db2.gz FAJRCOPMHAWATQ-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCc1ccccc1Cl ZINC000343725512 1032084553 /nfs/dbraw/zinc/08/45/53/1032084553.db2.gz FVINRDMWMHZMBS-QGZVFWFLSA-N 1 2 333.863 3.686 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCc1ccccc1Cl ZINC000343725512 1032084569 /nfs/dbraw/zinc/08/45/69/1032084569.db2.gz FVINRDMWMHZMBS-QGZVFWFLSA-N 1 2 333.863 3.686 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(O)c1Cl ZINC000339347361 1014265168 /nfs/dbraw/zinc/26/51/68/1014265168.db2.gz XARZPCVBQCNPST-UHFFFAOYSA-N 1 2 327.815 3.830 20 0 EHADLO Fc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1F ZINC000584295075 1032089874 /nfs/dbraw/zinc/08/98/74/1032089874.db2.gz PNNMXTOAFGBPIU-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1F ZINC000584295075 1032089886 /nfs/dbraw/zinc/08/98/86/1032089886.db2.gz PNNMXTOAFGBPIU-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074179687 1014301720 /nfs/dbraw/zinc/30/17/20/1014301720.db2.gz MKNQMEMFGBSLRB-CVEARBPZSA-N 1 2 343.496 3.927 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000339461259 1014516446 /nfs/dbraw/zinc/51/64/46/1014516446.db2.gz BOEWTZPMIYWRRY-SNVBAGLBSA-N 1 2 341.228 3.611 20 0 EHADLO CC(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)=C1CCCC1 ZINC000904496768 1032094239 /nfs/dbraw/zinc/09/42/39/1032094239.db2.gz DBUUDYMYPBEYTO-UHFFFAOYSA-N 1 2 339.439 3.916 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1C1CC1 ZINC000654971564 1014702417 /nfs/dbraw/zinc/70/24/17/1014702417.db2.gz CCGXMZXQTRUBKW-LBPRGKRZSA-N 1 2 337.427 3.940 20 0 EHADLO CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339548712 1014808566 /nfs/dbraw/zinc/80/85/66/1014808566.db2.gz MCFBCDAAJYFTJS-CZUORRHYSA-N 1 2 333.819 3.669 20 0 EHADLO Cc1cccn2cc(CCNC(=O)NCC(C)(C)C(C)(C)C)[nH+]c12 ZINC000644899254 1014826261 /nfs/dbraw/zinc/82/62/61/1014826261.db2.gz ULRLZSZIBKTKNZ-UHFFFAOYSA-N 1 2 330.476 3.557 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCc3cc(Br)cc(C)c3C2)o1 ZINC000685571494 1033579912 /nfs/dbraw/zinc/57/99/12/1033579912.db2.gz LMLGRYFKTGMRPK-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCc3cc(Br)cc(C)c3C2)o1 ZINC000685571494 1033579918 /nfs/dbraw/zinc/57/99/18/1033579918.db2.gz LMLGRYFKTGMRPK-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504640 1032104875 /nfs/dbraw/zinc/10/48/75/1032104875.db2.gz IURZQGVENAJBCD-KBPBESRZSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504640 1032104880 /nfs/dbraw/zinc/10/48/80/1032104880.db2.gz IURZQGVENAJBCD-KBPBESRZSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000620158841 1125488182 /nfs/dbraw/zinc/48/81/82/1125488182.db2.gz UWCFRMSHRICQKZ-STQMWFEESA-N 1 2 339.357 3.537 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000620158841 1125488185 /nfs/dbraw/zinc/48/81/85/1125488185.db2.gz UWCFRMSHRICQKZ-STQMWFEESA-N 1 2 339.357 3.537 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)cc1 ZINC000510096058 1015029147 /nfs/dbraw/zinc/02/91/47/1015029147.db2.gz WKIBPIHRUVHOHX-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)cc1 ZINC000510096058 1015029151 /nfs/dbraw/zinc/02/91/51/1015029151.db2.gz WKIBPIHRUVHOHX-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000510103655 1015106654 /nfs/dbraw/zinc/10/66/54/1015106654.db2.gz RQYKLZBCTKYXGD-QGZVFWFLSA-N 1 2 334.529 3.999 20 0 EHADLO C[C@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)n1cc[nH+]c1 ZINC000579838911 1015154176 /nfs/dbraw/zinc/15/41/76/1015154176.db2.gz DTSJKXNLNBPPBA-OCCSQVGLSA-N 1 2 325.334 3.644 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000274798510 1015215592 /nfs/dbraw/zinc/21/55/92/1015215592.db2.gz OADQENKOFOPUCK-LBPRGKRZSA-N 1 2 340.452 3.768 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)c1 ZINC000579849181 1015227891 /nfs/dbraw/zinc/22/78/91/1015227891.db2.gz AUUPTJSTDNWUPC-OAQYLSRUSA-N 1 2 348.450 3.921 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)c1 ZINC000579849181 1015227893 /nfs/dbraw/zinc/22/78/93/1015227893.db2.gz AUUPTJSTDNWUPC-OAQYLSRUSA-N 1 2 348.450 3.921 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2sc(Cl)nc2Cl)C1 ZINC001139958499 1015268055 /nfs/dbraw/zinc/26/80/55/1015268055.db2.gz GMZPYPBMEHVKJL-VIFPVBQESA-N 1 2 337.272 3.615 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2sc(Cl)nc2Cl)C1 ZINC001139958499 1015268059 /nfs/dbraw/zinc/26/80/59/1015268059.db2.gz GMZPYPBMEHVKJL-VIFPVBQESA-N 1 2 337.272 3.615 20 0 EHADLO Cc1ccc([C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(F)(F)F)o1 ZINC000655328776 1015358792 /nfs/dbraw/zinc/35/87/92/1015358792.db2.gz XUWNCGHRXFBQRD-AWEZNQCLSA-N 1 2 337.301 3.578 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000179629588 1015504840 /nfs/dbraw/zinc/50/48/40/1015504840.db2.gz YGUDGZLVEKBGAB-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000179629588 1015504850 /nfs/dbraw/zinc/50/48/50/1015504850.db2.gz YGUDGZLVEKBGAB-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001590603262 990266245 /nfs/dbraw/zinc/26/62/45/990266245.db2.gz WQPLOVOZJCAPFS-ZACQAIPSSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001590603262 990266249 /nfs/dbraw/zinc/26/62/49/990266249.db2.gz WQPLOVOZJCAPFS-ZACQAIPSSA-N 1 2 347.503 3.709 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000179712031 1015554038 /nfs/dbraw/zinc/55/40/38/1015554038.db2.gz ANWRDZUNCBIVRI-UHFFFAOYSA-N 1 2 349.463 3.956 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000179712031 1015554050 /nfs/dbraw/zinc/55/40/50/1015554050.db2.gz ANWRDZUNCBIVRI-UHFFFAOYSA-N 1 2 349.463 3.956 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191544 990782599 /nfs/dbraw/zinc/78/25/99/990782599.db2.gz LALPEMKVSDOKPH-LSDHHAIUSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191544 990782606 /nfs/dbraw/zinc/78/26/06/990782606.db2.gz LALPEMKVSDOKPH-LSDHHAIUSA-N 1 2 345.270 3.535 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339782442 1015668986 /nfs/dbraw/zinc/66/89/86/1015668986.db2.gz OLBCWSRVNBCZFZ-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000339782442 1015668992 /nfs/dbraw/zinc/66/89/92/1015668992.db2.gz OLBCWSRVNBCZFZ-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)ccn1 ZINC000339865147 1015791270 /nfs/dbraw/zinc/79/12/70/1015791270.db2.gz IALJCPOJVRUDGX-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)ccn1 ZINC000339865147 1015791276 /nfs/dbraw/zinc/79/12/76/1015791276.db2.gz IALJCPOJVRUDGX-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(c1cc2c(cccc2F)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553669 1015810536 /nfs/dbraw/zinc/81/05/36/1015810536.db2.gz KHYYXKGAGQPIST-NSHDSACASA-N 1 2 329.400 3.783 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000075710745 1015818102 /nfs/dbraw/zinc/81/81/02/1015818102.db2.gz YLVJWQIERVUTBT-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000075710745 1015818110 /nfs/dbraw/zinc/81/81/10/1015818110.db2.gz YLVJWQIERVUTBT-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO Clc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)c(Cl)s1 ZINC000449051954 1032129949 /nfs/dbraw/zinc/12/99/49/1032129949.db2.gz YKADLUZDNINWKI-UHFFFAOYSA-N 1 2 331.272 3.559 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000154925081 1015948094 /nfs/dbraw/zinc/94/80/94/1015948094.db2.gz KIMIIBRTUYVYDM-HOCLYGCPSA-N 1 2 331.485 3.927 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000154925081 1015948103 /nfs/dbraw/zinc/94/81/03/1015948103.db2.gz KIMIIBRTUYVYDM-HOCLYGCPSA-N 1 2 331.485 3.927 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2sccc2F)c1)[NH+]1CCOCC1 ZINC000339960874 1016074517 /nfs/dbraw/zinc/07/45/17/1016074517.db2.gz CKKPMKXXISIHAN-GFCCVEGCSA-N 1 2 334.416 3.533 20 0 EHADLO c1cc(CNc2ccc(N3CCCCC3)c[nH+]2)n(C2CCCC2)n1 ZINC000449085387 1032139228 /nfs/dbraw/zinc/13/92/28/1032139228.db2.gz MSXKZYDTXPXMEI-UHFFFAOYSA-N 1 2 325.460 3.996 20 0 EHADLO COC[C@H](C)N(Cc1cccc(OC)c1)c1cc(C)[nH+]c(C(C)C)n1 ZINC001167119314 1016111557 /nfs/dbraw/zinc/11/15/57/1016111557.db2.gz BWGQLWQXTSWIOY-INIZCTEOSA-N 1 2 343.471 3.959 20 0 EHADLO O=C(CCCOc1ccc(F)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514396 1016145580 /nfs/dbraw/zinc/14/55/80/1016145580.db2.gz GRHXTEGISNBGDY-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC001594182721 998702786 /nfs/dbraw/zinc/70/27/86/998702786.db2.gz GBMRXSQPTGPIPF-BOFXEDATSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC001594182721 998702789 /nfs/dbraw/zinc/70/27/89/998702789.db2.gz GBMRXSQPTGPIPF-BOFXEDATSA-N 1 2 344.499 3.520 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)c1C ZINC000460949161 1032145046 /nfs/dbraw/zinc/14/50/46/1032145046.db2.gz YHQZTEPLQXJQKU-LBPRGKRZSA-N 1 2 348.393 3.747 20 0 EHADLO Fc1ccc2nc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)sc2c1 ZINC000683352077 1016309863 /nfs/dbraw/zinc/30/98/63/1016309863.db2.gz WRKOPIIIFYKBJN-UHFFFAOYSA-N 1 2 338.411 3.911 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCC[C@H]1C ZINC000340107388 1016320650 /nfs/dbraw/zinc/32/06/50/1016320650.db2.gz WVMIULMLKYYSKN-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)n1 ZINC000510217493 1016474155 /nfs/dbraw/zinc/47/41/55/1016474155.db2.gz ZYMPILWDJSRJQD-UHFFFAOYSA-N 1 2 349.887 3.956 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)n1 ZINC000510217493 1016474160 /nfs/dbraw/zinc/47/41/60/1016474160.db2.gz ZYMPILWDJSRJQD-UHFFFAOYSA-N 1 2 349.887 3.956 20 0 EHADLO CC(C)n1cncc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000404215824 1035868233 /nfs/dbraw/zinc/86/82/33/1035868233.db2.gz XJGBBUSOPNQKLR-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000080542328 1032148196 /nfs/dbraw/zinc/14/81/96/1032148196.db2.gz NJFINWWCMYMZJJ-NSCUHMNNSA-N 1 2 349.409 3.790 20 0 EHADLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140081380 1016546232 /nfs/dbraw/zinc/54/62/32/1016546232.db2.gz OGFMNDZLIRUUCC-ZDUSSCGKSA-N 1 2 327.808 3.572 20 0 EHADLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140081380 1016546242 /nfs/dbraw/zinc/54/62/42/1016546242.db2.gz OGFMNDZLIRUUCC-ZDUSSCGKSA-N 1 2 327.808 3.572 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(F)c1 ZINC001209832293 1016572484 /nfs/dbraw/zinc/57/24/84/1016572484.db2.gz DWSUFNUCNBLGFJ-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO Fc1cccc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001204467609 1016631751 /nfs/dbraw/zinc/63/17/51/1016631751.db2.gz WQYNLZJHNWUCNM-AOOOYVTPSA-N 1 2 339.279 3.558 20 0 EHADLO Fc1cccc(C(F)(F)F)c1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001204467609 1016631759 /nfs/dbraw/zinc/63/17/59/1016631759.db2.gz WQYNLZJHNWUCNM-AOOOYVTPSA-N 1 2 339.279 3.558 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000340201700 1016699736 /nfs/dbraw/zinc/69/97/36/1016699736.db2.gz WNMDSGVHAIBDKE-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025442380 1016702844 /nfs/dbraw/zinc/70/28/44/1016702844.db2.gz XLCZVXWXRQEOAV-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025442380 1016702859 /nfs/dbraw/zinc/70/28/59/1016702859.db2.gz XLCZVXWXRQEOAV-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)s1 ZINC000182970372 1032150967 /nfs/dbraw/zinc/15/09/67/1032150967.db2.gz XNNAFMQOGGXVER-UHFFFAOYSA-N 1 2 343.496 3.661 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)cc1F ZINC000376619623 1016942872 /nfs/dbraw/zinc/94/28/72/1016942872.db2.gz YACHVERAIIBFHM-NSHDSACASA-N 1 2 336.798 3.542 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376628127 1016958988 /nfs/dbraw/zinc/95/89/88/1016958988.db2.gz QUEKYWVHIKSEJF-ZDUSSCGKSA-N 1 2 327.428 3.675 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376628127 1016958996 /nfs/dbraw/zinc/95/89/96/1016958996.db2.gz QUEKYWVHIKSEJF-ZDUSSCGKSA-N 1 2 327.428 3.675 20 0 EHADLO CC(C)Oc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000120960111 1017042258 /nfs/dbraw/zinc/04/22/58/1017042258.db2.gz YGXDTEOQMGTOCV-UHFFFAOYSA-N 1 2 340.467 3.918 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000536697984 1032158891 /nfs/dbraw/zinc/15/88/91/1032158891.db2.gz LFDALCRKIVSYRO-FQEVSTJZSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000536697984 1032158901 /nfs/dbraw/zinc/15/89/01/1032158901.db2.gz LFDALCRKIVSYRO-FQEVSTJZSA-N 1 2 333.435 3.959 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H](NCCn1cc[nH+]c1)C(F)(F)F ZINC000183347717 1032165484 /nfs/dbraw/zinc/16/54/84/1032165484.db2.gz BYHKFVNDKHVPJN-GFCCVEGCSA-N 1 2 337.267 3.795 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nc(C2CC2)[nH+]1 ZINC000080717635 1032173050 /nfs/dbraw/zinc/17/30/50/1032173050.db2.gz GTRQEXKRQDKTIG-JCQPUDPBSA-N 1 2 329.469 3.597 20 0 EHADLO CCOc1cc(-c2noc([C@@H]([NH3+])C[C@@H](C)CC)n2)cc(Cl)c1O ZINC000904682322 1032179814 /nfs/dbraw/zinc/17/98/14/1032179814.db2.gz BJXVUBINQHHXCD-CABZTGNLSA-N 1 2 339.823 3.930 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000484993790 1032224727 /nfs/dbraw/zinc/22/47/27/1032224727.db2.gz DFOFEAQVBWNLGC-HNNXBMFYSA-N 1 2 344.484 3.656 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000484993790 1032224746 /nfs/dbraw/zinc/22/47/46/1032224746.db2.gz DFOFEAQVBWNLGC-HNNXBMFYSA-N 1 2 344.484 3.656 20 0 EHADLO CCOC[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528398387 1032225495 /nfs/dbraw/zinc/22/54/95/1032225495.db2.gz GBJUQGHTYCXFHS-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO CCOC[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528398387 1032225509 /nfs/dbraw/zinc/22/55/09/1032225509.db2.gz GBJUQGHTYCXFHS-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1F ZINC000528406076 1032242663 /nfs/dbraw/zinc/24/26/63/1032242663.db2.gz SMROAAWHHDJNSN-DGCLKSJQSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1F ZINC000528406076 1032242672 /nfs/dbraw/zinc/24/26/72/1032242672.db2.gz SMROAAWHHDJNSN-DGCLKSJQSA-N 1 2 346.215 3.728 20 0 EHADLO c1csc([C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C2CC2)c1 ZINC000538260314 1032245476 /nfs/dbraw/zinc/24/54/76/1032245476.db2.gz AOVFKXLRJHDMGE-GOSISDBHSA-N 1 2 325.437 3.963 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528411285 1032250636 /nfs/dbraw/zinc/25/06/36/1032250636.db2.gz WUSSLPZBKDOWQL-QAPCUYQASA-N 1 2 330.447 3.611 20 0 EHADLO Fc1cc([C@H]2C[N@H+](C[C@@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306516 1032271398 /nfs/dbraw/zinc/27/13/98/1032271398.db2.gz PUIZXKDTEUEUNB-MEDUHNTESA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@H]2C[N@@H+](C[C@@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306516 1032271410 /nfs/dbraw/zinc/27/14/10/1032271410.db2.gz PUIZXKDTEUEUNB-MEDUHNTESA-N 1 2 348.245 3.932 20 0 EHADLO Clc1ccc(C[NH+]2CC3(C2)CCOCC3)c(Br)c1 ZINC000459614962 1032351556 /nfs/dbraw/zinc/35/15/56/1032351556.db2.gz HSKZLLJBHHHFJA-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449249205 1032354692 /nfs/dbraw/zinc/35/46/92/1032354692.db2.gz LGFMFWVYAUKLHE-AWEZNQCLSA-N 1 2 327.453 3.768 20 0 EHADLO CCCCCOc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000081798892 1032366197 /nfs/dbraw/zinc/36/61/97/1032366197.db2.gz DZWRNLQLBHTACP-INIZCTEOSA-N 1 2 329.444 3.518 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000185334713 1032379384 /nfs/dbraw/zinc/37/93/84/1032379384.db2.gz YCHLKGIMEMZMNO-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000185334713 1032379389 /nfs/dbraw/zinc/37/93/89/1032379389.db2.gz YCHLKGIMEMZMNO-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)c(Br)c1 ZINC000459680502 1032409229 /nfs/dbraw/zinc/40/92/29/1032409229.db2.gz VMZVAQFTSXDLRF-SECBINFHSA-N 1 2 325.206 3.605 20 0 EHADLO Cc1cc(Br)c(CN2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000528504833 1032408006 /nfs/dbraw/zinc/40/80/06/1032408006.db2.gz NYLVRYIVDVIVRH-UHFFFAOYSA-N 1 2 340.652 3.692 20 0 EHADLO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235305117 1032411611 /nfs/dbraw/zinc/41/16/11/1032411611.db2.gz PKGJWAGGEUSJLS-APPZFPTMSA-N 1 2 349.066 3.663 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)cc1O ZINC000080961887 1032418344 /nfs/dbraw/zinc/41/83/44/1032418344.db2.gz DWTGOQOIJRVCAH-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)cc1O ZINC000080961887 1032418354 /nfs/dbraw/zinc/41/83/54/1032418354.db2.gz DWTGOQOIJRVCAH-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO CCn1c(C[NH2+]C(C)(C)c2nc(C)cs2)nc2cc(F)ccc21 ZINC000118849348 1032425106 /nfs/dbraw/zinc/42/51/06/1032425106.db2.gz CFZPJDLTRBPRQU-UHFFFAOYSA-N 1 2 332.448 3.985 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1c(F)cncc1F ZINC000449320099 1032452560 /nfs/dbraw/zinc/45/25/60/1032452560.db2.gz MHHHMRJNTZCEPI-GFCCVEGCSA-N 1 2 334.366 3.762 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000449342063 1032457683 /nfs/dbraw/zinc/45/76/83/1032457683.db2.gz YTGODCRBLOVKKL-MRXNPFEDSA-N 1 2 349.883 3.733 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000449342063 1032457688 /nfs/dbraw/zinc/45/76/88/1032457688.db2.gz YTGODCRBLOVKKL-MRXNPFEDSA-N 1 2 349.883 3.733 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143486451 1017285220 /nfs/dbraw/zinc/28/52/20/1017285220.db2.gz FGVPOCFYIHNSKQ-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143486451 1017285232 /nfs/dbraw/zinc/28/52/32/1017285232.db2.gz FGVPOCFYIHNSKQ-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021257 1032487659 /nfs/dbraw/zinc/48/76/59/1032487659.db2.gz NMAOFLIJDZBEJI-GJZGRUSLSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021257 1032487667 /nfs/dbraw/zinc/48/76/67/1032487667.db2.gz NMAOFLIJDZBEJI-GJZGRUSLSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021257 1032487674 /nfs/dbraw/zinc/48/76/74/1032487674.db2.gz NMAOFLIJDZBEJI-GJZGRUSLSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021257 1032487680 /nfs/dbraw/zinc/48/76/80/1032487680.db2.gz NMAOFLIJDZBEJI-GJZGRUSLSA-N 1 2 343.471 3.781 20 0 EHADLO CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(C)(C)C1 ZINC000655620743 1017309703 /nfs/dbraw/zinc/30/97/03/1017309703.db2.gz DQHZDFPQJMSKBP-KRWDZBQOSA-N 1 2 340.471 3.534 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Sc1ccccc1 ZINC000081106720 1032494702 /nfs/dbraw/zinc/49/47/02/1032494702.db2.gz ZVHXTIPICNTKQK-OAHLLOKOSA-N 1 2 337.448 3.783 20 0 EHADLO CC(=O)c1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000089451849 1032517872 /nfs/dbraw/zinc/51/78/72/1032517872.db2.gz GXYNGNGLLDIMCM-UHFFFAOYSA-N 1 2 348.406 3.705 20 0 EHADLO Nc1nc(C[NH2+]C(c2ccccc2)c2ccccc2)nc2ccccc12 ZINC000584427422 1032523428 /nfs/dbraw/zinc/52/34/28/1032523428.db2.gz VUEVDFHLZUIEII-UHFFFAOYSA-N 1 2 340.430 3.922 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449406237 1032528553 /nfs/dbraw/zinc/52/85/53/1032528553.db2.gz VKQISTJMIYWJCB-UHFFFAOYSA-N 1 2 334.423 3.648 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2cc(Cl)ccc2F)C2CC2)c1 ZINC000449409027 1032533538 /nfs/dbraw/zinc/53/35/38/1032533538.db2.gz MXPWVMSGFVXMES-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2cc(Cl)ccc2F)C2CC2)c1 ZINC000449409027 1032533543 /nfs/dbraw/zinc/53/35/43/1032533543.db2.gz MXPWVMSGFVXMES-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC000449423529 1032536390 /nfs/dbraw/zinc/53/63/90/1032536390.db2.gz OBYSYEBIVBKKRS-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC000449423529 1032536399 /nfs/dbraw/zinc/53/63/99/1032536399.db2.gz OBYSYEBIVBKKRS-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO Fc1ccccc1-c1noc(C[NH2+][C@@H](c2ccccn2)C2CCC2)n1 ZINC000528661001 1032547198 /nfs/dbraw/zinc/54/71/98/1032547198.db2.gz SDIKSKUIMFEGOK-GOSISDBHSA-N 1 2 338.386 3.902 20 0 EHADLO CCC(CC)c1cc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)on1 ZINC000162218652 1032559076 /nfs/dbraw/zinc/55/90/76/1032559076.db2.gz WAWDLTVTFNVIQV-UHFFFAOYSA-N 1 2 345.447 3.669 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1Br ZINC000090223727 1032564687 /nfs/dbraw/zinc/56/46/87/1032564687.db2.gz RHSGBCQFJWWBOH-GJZGRUSLSA-N 1 2 349.276 3.925 20 0 EHADLO COc1cc(C)cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000537205698 1032567904 /nfs/dbraw/zinc/56/79/04/1032567904.db2.gz NMNXDFIHWIJYIU-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000537228727 1032569779 /nfs/dbraw/zinc/56/97/79/1032569779.db2.gz JOVCCGTWECOLHQ-SFHVURJKSA-N 1 2 347.462 3.909 20 0 EHADLO CC(C)c1cc(N2CCC([C@@H](O)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000090112871 1032574702 /nfs/dbraw/zinc/57/47/02/1032574702.db2.gz KYWYKHWJIHOKNQ-OAHLLOKOSA-N 1 2 345.409 3.863 20 0 EHADLO COc1cccnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000592811154 1032587676 /nfs/dbraw/zinc/58/76/76/1032587676.db2.gz IMDQSHJSZLLQDD-CQSZACIVSA-N 1 2 331.847 3.627 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000606373689 1032657789 /nfs/dbraw/zinc/65/77/89/1032657789.db2.gz OTUNSZXQQLXQQM-SIFUEBAJSA-N 1 2 327.453 3.736 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000606373689 1032657803 /nfs/dbraw/zinc/65/78/03/1032657803.db2.gz OTUNSZXQQLXQQM-SIFUEBAJSA-N 1 2 327.453 3.736 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602115654 1032659181 /nfs/dbraw/zinc/65/91/81/1032659181.db2.gz JQNCXBQRYPAPQJ-UPJWGTAASA-N 1 2 349.422 3.557 20 0 EHADLO c1ccc(C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)cc1 ZINC000537372529 1032667046 /nfs/dbraw/zinc/66/70/46/1032667046.db2.gz JHMQRYJMURPBRH-OAQYLSRUSA-N 1 2 345.446 3.587 20 0 EHADLO c1ccc(C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)cc1 ZINC000537372529 1032667054 /nfs/dbraw/zinc/66/70/54/1032667054.db2.gz JHMQRYJMURPBRH-OAQYLSRUSA-N 1 2 345.446 3.587 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)nn1 ZINC000449498404 1032673524 /nfs/dbraw/zinc/67/35/24/1032673524.db2.gz KMBRQYZEWYHDEJ-AWEZNQCLSA-N 1 2 349.276 3.611 20 0 EHADLO CC(C)n1cc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)nn1 ZINC000449498404 1032673528 /nfs/dbraw/zinc/67/35/28/1032673528.db2.gz KMBRQYZEWYHDEJ-AWEZNQCLSA-N 1 2 349.276 3.611 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343839917 1017261628 /nfs/dbraw/zinc/26/16/28/1017261628.db2.gz SFNUVBRCVRNMKK-GRYCIOLGSA-N 1 2 335.439 3.933 20 0 EHADLO COc1cc(OC)c(CNc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000650236781 1017268760 /nfs/dbraw/zinc/26/87/60/1017268760.db2.gz IOOQLQVXHONAML-UHFFFAOYSA-N 1 2 345.418 3.840 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000606450166 1032690598 /nfs/dbraw/zinc/69/05/98/1032690598.db2.gz QEXUKZMKOAZNII-SWKXRBFHSA-N 1 2 332.463 3.782 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000606450166 1032690611 /nfs/dbraw/zinc/69/06/11/1032690611.db2.gz QEXUKZMKOAZNII-SWKXRBFHSA-N 1 2 332.463 3.782 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000890936661 1017378448 /nfs/dbraw/zinc/37/84/48/1017378448.db2.gz QFZQRCCYCJHZOW-MRXNPFEDSA-N 1 2 329.444 3.648 20 0 EHADLO COc1ccncc1C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000340404011 1017407633 /nfs/dbraw/zinc/40/76/33/1017407633.db2.gz UYULPTXNRXNDIK-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO O=C(/C=C/c1ccccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617010 1017439993 /nfs/dbraw/zinc/43/99/93/1017439993.db2.gz AZMUTKGSYXURTK-CMDGGOBGSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1cc(N[C@H]2CCCn3ccnc32)c[nH+]c1N1CCCC[C@@H]1C ZINC000655750666 1017540098 /nfs/dbraw/zinc/54/00/98/1017540098.db2.gz DXOLPSHHJMIASQ-RDJZCZTQSA-N 1 2 325.460 3.912 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccncc2)CC1 ZINC000377258331 1017540924 /nfs/dbraw/zinc/54/09/24/1017540924.db2.gz RRGJRDGMKUGCSB-HNNXBMFYSA-N 1 2 340.475 3.514 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000655795793 1017631261 /nfs/dbraw/zinc/63/12/61/1017631261.db2.gz BSESNPDKRHYNMY-IRXDYDNUSA-N 1 2 340.471 3.850 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C1 ZINC000655797835 1017635248 /nfs/dbraw/zinc/63/52/48/1017635248.db2.gz QVLFGJVEXQSUSD-RANZSIQMSA-N 1 2 340.471 3.718 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000655796940 1017636719 /nfs/dbraw/zinc/63/67/19/1017636719.db2.gz KSUWODOKFGKXLL-JKSUJKDBSA-N 1 2 332.423 3.672 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)c2ccccc21 ZINC000655798095 1017637750 /nfs/dbraw/zinc/63/77/50/1017637750.db2.gz WZFSIWDTILNPSH-SJCJKPOMSA-N 1 2 340.402 3.799 20 0 EHADLO c1csc([C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCCC2)c1 ZINC000655798775 1017639270 /nfs/dbraw/zinc/63/92/70/1017639270.db2.gz YIFWGJVZTCLEIF-CZUORRHYSA-N 1 2 332.473 3.739 20 0 EHADLO Cc1ccc(-c2cccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)c2)cc1 ZINC000655817350 1017690662 /nfs/dbraw/zinc/69/06/62/1017690662.db2.gz GFLRJJICHSHAQP-IBGZPJMESA-N 1 2 348.450 3.921 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000290953510 1017703152 /nfs/dbraw/zinc/70/31/52/1017703152.db2.gz GWKBYGAQBNMIQF-KRWDZBQOSA-N 1 2 340.427 3.671 20 0 EHADLO CCN(C)c1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892910711 1017706545 /nfs/dbraw/zinc/70/65/45/1017706545.db2.gz SIPXPPNVCZCIKQ-UHFFFAOYSA-N 1 2 329.391 3.908 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@H+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000528742006 1032718500 /nfs/dbraw/zinc/71/85/00/1032718500.db2.gz KCXVOFQYSTVUHL-ZDUSSCGKSA-N 1 2 328.847 3.701 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@@H+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000528742006 1032718522 /nfs/dbraw/zinc/71/85/22/1032718522.db2.gz KCXVOFQYSTVUHL-ZDUSSCGKSA-N 1 2 328.847 3.701 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+](C)CCCC(=O)c1cccnc1 ZINC001143494862 1017739402 /nfs/dbraw/zinc/73/94/02/1017739402.db2.gz BHCYLFDNORIKSZ-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001143494862 1017739415 /nfs/dbraw/zinc/73/94/15/1017739415.db2.gz BHCYLFDNORIKSZ-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO FC(F)(F)COc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000377403211 1017755376 /nfs/dbraw/zinc/75/53/76/1017755376.db2.gz MYCCAFNXUPDLIB-UHFFFAOYSA-N 1 2 340.345 3.784 20 0 EHADLO Cc1ccccc1[C@H](C)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000620959544 1017755895 /nfs/dbraw/zinc/75/58/95/1017755895.db2.gz SIUNALLOQWZPAW-KRWDZBQOSA-N 1 2 337.467 3.713 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000340428666 1017760063 /nfs/dbraw/zinc/76/00/63/1017760063.db2.gz XUBWRSDOYIROQV-IINYFYTJSA-N 1 2 348.244 3.586 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)s1 ZINC000892945900 1017860042 /nfs/dbraw/zinc/86/00/42/1017860042.db2.gz MMTOTNBMFRJVKF-UHFFFAOYSA-N 1 2 345.516 3.727 20 0 EHADLO COc1cccc(C2([NH2+]Cc3ccn(-c4ccccc4F)n3)CC2)c1 ZINC000275641109 1017870403 /nfs/dbraw/zinc/87/04/03/1017870403.db2.gz SBHGJCRFWRGCSD-UHFFFAOYSA-N 1 2 337.398 3.799 20 0 EHADLO COc1cccc2c(NC3CCN(C(=O)CC(C)C)CC3)cc[nH+]c12 ZINC000275663871 1017995210 /nfs/dbraw/zinc/99/52/10/1017995210.db2.gz YBTRMKPRFQWIES-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472800286 1018001341 /nfs/dbraw/zinc/00/13/41/1018001341.db2.gz VLNFKUKDLJNPFX-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1ccc(OCC[N@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472800286 1018001354 /nfs/dbraw/zinc/00/13/54/1018001354.db2.gz VLNFKUKDLJNPFX-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547991749 1018007572 /nfs/dbraw/zinc/00/75/72/1018007572.db2.gz QFKQNSDYPSSEHR-SNVBAGLBSA-N 1 2 339.226 3.635 20 0 EHADLO CC(C)(C)n1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000655966593 1018044281 /nfs/dbraw/zinc/04/42/81/1018044281.db2.gz BEOJMLUNGFVCEL-UHFFFAOYSA-N 1 2 348.410 3.600 20 0 EHADLO COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000122775061 1018081331 /nfs/dbraw/zinc/08/13/31/1018081331.db2.gz WIGHNSIBRQRSNK-AWEZNQCLSA-N 1 2 335.407 3.903 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)on1 ZINC000047273967 1018089674 /nfs/dbraw/zinc/08/96/74/1018089674.db2.gz LZGHDUFZUVCQKA-INIZCTEOSA-N 1 2 327.428 3.684 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)on1 ZINC000047273967 1018089687 /nfs/dbraw/zinc/08/96/87/1018089687.db2.gz LZGHDUFZUVCQKA-INIZCTEOSA-N 1 2 327.428 3.684 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)s1 ZINC000449533323 1032744049 /nfs/dbraw/zinc/74/40/49/1032744049.db2.gz JYFZNDBABIQRBL-OAHLLOKOSA-N 1 2 331.485 3.576 20 0 EHADLO O=C1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)c2cc(F)ccc2N1 ZINC000340496643 1018150251 /nfs/dbraw/zinc/15/02/51/1018150251.db2.gz KOLAHIPGHAFXCV-HNNXBMFYSA-N 1 2 338.304 3.806 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(F)c1 ZINC000246391446 1018209752 /nfs/dbraw/zinc/20/97/52/1018209752.db2.gz IWXXOVJDFNAPMR-JKSUJKDBSA-N 1 2 336.451 3.598 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c(F)c1 ZINC000246391446 1018209766 /nfs/dbraw/zinc/20/97/66/1018209766.db2.gz IWXXOVJDFNAPMR-JKSUJKDBSA-N 1 2 336.451 3.598 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c(C)[nH+]1 ZINC001125404030 1018282738 /nfs/dbraw/zinc/28/27/38/1018282738.db2.gz JMIQTQMIEQICFK-UHFFFAOYSA-N 1 2 342.349 3.723 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC2(C1)CCCCC2 ZINC000431850778 1018296106 /nfs/dbraw/zinc/29/61/06/1018296106.db2.gz LDZDSARXLCZHIK-UHFFFAOYSA-N 1 2 337.467 3.657 20 0 EHADLO CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1Cl ZINC000042157148 1018304322 /nfs/dbraw/zinc/30/43/22/1018304322.db2.gz FRBGWNYNMKRAOL-UHFFFAOYSA-N 1 2 347.871 3.740 20 0 EHADLO CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1Cl ZINC000042157148 1018304340 /nfs/dbraw/zinc/30/43/40/1018304340.db2.gz FRBGWNYNMKRAOL-UHFFFAOYSA-N 1 2 347.871 3.740 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001143499983 1018325390 /nfs/dbraw/zinc/32/53/90/1018325390.db2.gz UOJLOIBEOQWBNK-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001143499983 1018325402 /nfs/dbraw/zinc/32/54/02/1018325402.db2.gz UOJLOIBEOQWBNK-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000584536878 1018338042 /nfs/dbraw/zinc/33/80/42/1018338042.db2.gz MQGFHWMNARALJD-QAQDUYKDSA-N 1 2 327.403 3.682 20 0 EHADLO C/C(=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC001125408472 1018379130 /nfs/dbraw/zinc/37/91/30/1018379130.db2.gz YTUKPIZAWKHALQ-GDNBJRDFSA-N 1 2 337.448 3.713 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000377817372 1018417142 /nfs/dbraw/zinc/41/71/42/1018417142.db2.gz SDKNLVCVKGEXQQ-INIZCTEOSA-N 1 2 342.349 3.982 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460738517 1018453003 /nfs/dbraw/zinc/45/30/03/1018453003.db2.gz UUHBXODDMNCCRM-WIYYLYMNSA-N 1 2 347.462 3.804 20 0 EHADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582597 1032766611 /nfs/dbraw/zinc/76/66/11/1032766611.db2.gz WDPFXYADLOBIAY-UHFFFAOYSA-N 1 2 346.337 3.600 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@H](C)C2)cc(C)[nH+]1 ZINC000651162327 1018536855 /nfs/dbraw/zinc/53/68/55/1018536855.db2.gz UNUURNMGUWZVLU-CYBMUJFWSA-N 1 2 341.430 3.709 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583709 1032771298 /nfs/dbraw/zinc/77/12/98/1032771298.db2.gz LFEDCHIWSUPFLQ-UHFFFAOYSA-N 1 2 332.766 3.791 20 0 EHADLO COCCC[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccncc1 ZINC000349290978 1018567860 /nfs/dbraw/zinc/56/78/60/1018567860.db2.gz YYWSCPGPQKZSTL-UHFFFAOYSA-N 1 2 345.390 3.596 20 0 EHADLO COCCC[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccncc1 ZINC000349290978 1018567876 /nfs/dbraw/zinc/56/78/76/1018567876.db2.gz YYWSCPGPQKZSTL-UHFFFAOYSA-N 1 2 345.390 3.596 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CC[C@@H](OCC(C)C)C3)nc(=O)c2c1C ZINC000253552867 1018734082 /nfs/dbraw/zinc/73/40/82/1018734082.db2.gz YBWTVVLUDCSDQA-TZMCWYRMSA-N 1 2 349.500 3.822 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+]3CC[C@@H](OCC(C)C)C3)nc(=O)c2c1C ZINC000253552867 1018734092 /nfs/dbraw/zinc/73/40/92/1018734092.db2.gz YBWTVVLUDCSDQA-TZMCWYRMSA-N 1 2 349.500 3.822 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000894156987 1018738934 /nfs/dbraw/zinc/73/89/34/1018738934.db2.gz QMNLPGIKJIEEPT-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000419353208 1018758312 /nfs/dbraw/zinc/75/83/12/1018758312.db2.gz PTAFXZHPACZMIK-UHFFFAOYSA-N 1 2 331.382 3.542 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000092510253 1032786295 /nfs/dbraw/zinc/78/62/95/1032786295.db2.gz GSKCNZLBMRWUJU-QGZVFWFLSA-N 1 2 343.496 3.643 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000092510253 1032786309 /nfs/dbraw/zinc/78/63/09/1032786309.db2.gz GSKCNZLBMRWUJU-QGZVFWFLSA-N 1 2 343.496 3.643 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ccccc21 ZINC000683845775 1018858008 /nfs/dbraw/zinc/85/80/08/1018858008.db2.gz FKRGXJWMNMTFKX-HOTGVXAUSA-N 1 2 336.439 3.722 20 0 EHADLO CC(C)COC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000614366464 1018870911 /nfs/dbraw/zinc/87/09/11/1018870911.db2.gz IPTKOKOLHGJXBV-UHFFFAOYSA-N 1 2 349.862 3.626 20 0 EHADLO CC[C@@H](c1ccccc1)N1CC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000564816226 1018894385 /nfs/dbraw/zinc/89/43/85/1018894385.db2.gz WJIVMBATKAYWBW-SFHVURJKSA-N 1 2 337.423 3.614 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000255360832 1018929373 /nfs/dbraw/zinc/92/93/73/1018929373.db2.gz PAYAPFQTYBGVCM-HOCLYGCPSA-N 1 2 343.496 3.692 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000255360832 1018929388 /nfs/dbraw/zinc/92/93/88/1018929388.db2.gz PAYAPFQTYBGVCM-HOCLYGCPSA-N 1 2 343.496 3.692 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000580307825 1018957437 /nfs/dbraw/zinc/95/74/37/1018957437.db2.gz DLEXDOXKCLBKOS-UHFFFAOYSA-N 1 2 332.398 3.530 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345093716 1019014084 /nfs/dbraw/zinc/01/40/84/1019014084.db2.gz VEYLQDIRLJGEPB-AWEZNQCLSA-N 1 2 326.396 3.677 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345093716 1019014100 /nfs/dbraw/zinc/01/41/00/1019014100.db2.gz VEYLQDIRLJGEPB-AWEZNQCLSA-N 1 2 326.396 3.677 20 0 EHADLO CCC[C@@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000580318158 1019016739 /nfs/dbraw/zinc/01/67/39/1019016739.db2.gz QXYLJUUIXPJBRF-OAHLLOKOSA-N 1 2 348.468 3.615 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000513127306 1019040058 /nfs/dbraw/zinc/04/00/58/1019040058.db2.gz GFEFRBMMUARKSQ-RTYFKUQISA-N 1 2 331.456 3.652 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000513127306 1019040075 /nfs/dbraw/zinc/04/00/75/1019040075.db2.gz GFEFRBMMUARKSQ-RTYFKUQISA-N 1 2 331.456 3.652 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOc3cc(O)ccc3C2)c1C ZINC000513128823 1019040666 /nfs/dbraw/zinc/04/06/66/1019040666.db2.gz SXCSIKBREBWPDR-UHFFFAOYSA-N 1 2 339.435 3.915 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOc3cc(O)ccc3C2)c1C ZINC000513128823 1019040684 /nfs/dbraw/zinc/04/06/84/1019040684.db2.gz SXCSIKBREBWPDR-UHFFFAOYSA-N 1 2 339.435 3.915 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1OC ZINC000449563882 1032806326 /nfs/dbraw/zinc/80/63/26/1032806326.db2.gz ZHMHZCRFOVNANP-LLVKDONJSA-N 1 2 338.249 3.525 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000606707159 1032806306 /nfs/dbraw/zinc/80/63/06/1032806306.db2.gz KDXYWRKOPRBOLN-RHSMWYFYSA-N 1 2 348.397 3.659 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510321661 1019090860 /nfs/dbraw/zinc/09/08/60/1019090860.db2.gz IJTLOXFSPVVNMG-BQFCYCMXSA-N 1 2 344.503 3.564 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Br)c(OC)s1 ZINC000449563896 1032807394 /nfs/dbraw/zinc/80/73/94/1032807394.db2.gz ZJXJKIBNVWEIHL-SECBINFHSA-N 1 2 344.278 3.586 20 0 EHADLO c1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)n(C2CCC2)n1 ZINC000894201500 1019134044 /nfs/dbraw/zinc/13/40/44/1019134044.db2.gz ASBRTYRPQMAYGS-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO c1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)n(C2CCC2)n1 ZINC000894201500 1019134051 /nfs/dbraw/zinc/13/40/51/1019134051.db2.gz ASBRTYRPQMAYGS-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000449561175 1032810171 /nfs/dbraw/zinc/81/01/71/1032810171.db2.gz BEIAOFRTNDUXFQ-CQSZACIVSA-N 1 2 341.434 3.695 20 0 EHADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cn(C)cn3)CC2)cc1 ZINC000683899675 1019157111 /nfs/dbraw/zinc/15/71/11/1019157111.db2.gz XZRWEURVAIMFND-UHFFFAOYSA-N 1 2 339.483 3.714 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167933063 1019161319 /nfs/dbraw/zinc/16/13/19/1019161319.db2.gz AHPIODBPUNFKCK-LHHMISFZSA-N 1 2 326.465 3.982 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167933063 1019161322 /nfs/dbraw/zinc/16/13/22/1019161322.db2.gz AHPIODBPUNFKCK-LHHMISFZSA-N 1 2 326.465 3.982 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1C ZINC000729050779 1019169197 /nfs/dbraw/zinc/16/91/97/1019169197.db2.gz KLKFIHLPZLTLSF-JKSUJKDBSA-N 1 2 333.476 3.721 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052660029 1019170974 /nfs/dbraw/zinc/17/09/74/1019170974.db2.gz GLQPMWJZQBWIRT-UHFFFAOYSA-N 1 2 348.368 3.663 20 0 EHADLO O=C(/C=C\C1CCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000255472998 1019201163 /nfs/dbraw/zinc/20/11/63/1019201163.db2.gz ALCUCQGPSSOCQU-QXMHVHEDSA-N 1 2 337.467 3.727 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189239913 1019239729 /nfs/dbraw/zinc/23/97/29/1019239729.db2.gz HKKIIJFILIBYRI-UHFFFAOYSA-N 1 2 348.288 3.666 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189239913 1019239739 /nfs/dbraw/zinc/23/97/39/1019239739.db2.gz HKKIIJFILIBYRI-UHFFFAOYSA-N 1 2 348.288 3.666 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000476083893 1032822900 /nfs/dbraw/zinc/82/29/00/1032822900.db2.gz JUQLZQHFGJFHCF-RBUKOAKNSA-N 1 2 344.499 3.982 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC3(CC3)c3ccccc31)C2 ZINC000476082687 1032824001 /nfs/dbraw/zinc/82/40/01/1032824001.db2.gz ZFFIFEQMJVGRLC-AWEZNQCLSA-N 1 2 335.451 3.716 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC3(CC3)c3ccccc31)CC2 ZINC000476082687 1032824009 /nfs/dbraw/zinc/82/40/09/1032824009.db2.gz ZFFIFEQMJVGRLC-AWEZNQCLSA-N 1 2 335.451 3.716 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ncc(C)cn4)CC3)c2c1 ZINC000340694129 1019405219 /nfs/dbraw/zinc/40/52/19/1019405219.db2.gz DQLVVADUPVDUKT-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ncc(C)cn4)CC3)c2c1 ZINC000340694129 1019405230 /nfs/dbraw/zinc/40/52/30/1019405230.db2.gz DQLVVADUPVDUKT-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO O=C(NC1CCCCCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001211096600 1019442948 /nfs/dbraw/zinc/44/29/48/1019442948.db2.gz KCPTZMSTTYIMCD-UHFFFAOYSA-N 1 2 330.476 3.780 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513241494 1019470420 /nfs/dbraw/zinc/47/04/20/1019470420.db2.gz JNFWOTWGSAXESF-JTQLQIEISA-N 1 2 339.773 3.611 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1c(F)cncc1F ZINC000513265808 1019479591 /nfs/dbraw/zinc/47/95/91/1019479591.db2.gz HCBBBMBOKAGERT-LBPRGKRZSA-N 1 2 347.409 3.947 20 0 EHADLO CCCOc1c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cccc1OCC ZINC000449575047 1032835167 /nfs/dbraw/zinc/83/51/67/1032835167.db2.gz WTPIJBPPKYSOJO-HOCLYGCPSA-N 1 2 329.444 3.866 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656249838 1019619227 /nfs/dbraw/zinc/61/92/27/1019619227.db2.gz CTKOJDWRYBDSMV-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656249838 1019619234 /nfs/dbraw/zinc/61/92/34/1019619234.db2.gz CTKOJDWRYBDSMV-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO CC(C)(C)c1cccc(OCC[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000513415456 1019646274 /nfs/dbraw/zinc/64/62/74/1019646274.db2.gz JLBCUTVAIJUUEX-HNNXBMFYSA-N 1 2 327.415 3.719 20 0 EHADLO CC(C)(C)c1cccc(OCC[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000513415456 1019646283 /nfs/dbraw/zinc/64/62/83/1019646283.db2.gz JLBCUTVAIJUUEX-HNNXBMFYSA-N 1 2 327.415 3.719 20 0 EHADLO CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664198690 1019734893 /nfs/dbraw/zinc/73/48/93/1019734893.db2.gz GOADJUYBQMXIRU-OGHNNQOOSA-N 1 2 334.847 3.866 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000079102413 1019747853 /nfs/dbraw/zinc/74/78/53/1019747853.db2.gz BBDNJMMWZRWCKV-AEFFLSMTSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000122966369 1019784860 /nfs/dbraw/zinc/78/48/60/1019784860.db2.gz VJCLDZGTUXQWNY-QAPCUYQASA-N 1 2 341.430 3.554 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)oc1C ZINC000449585378 1032853351 /nfs/dbraw/zinc/85/33/51/1032853351.db2.gz LEHMXYHEQVMJKT-CYBMUJFWSA-N 1 2 339.313 3.569 20 0 EHADLO c1nc(C2CC[NH+](Cc3nc4c(s3)CCC4)CC2)n2c1CCCC2 ZINC000684026787 1019858195 /nfs/dbraw/zinc/85/81/95/1019858195.db2.gz MSSXHFRHELDXMV-UHFFFAOYSA-N 1 2 342.512 3.544 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000153648925 1019862635 /nfs/dbraw/zinc/86/26/35/1019862635.db2.gz UWYMKSIQHWTQPA-FUHWJXTLSA-N 1 2 339.439 3.622 20 0 EHADLO CCCCOc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000434079099 1019927233 /nfs/dbraw/zinc/92/72/33/1019927233.db2.gz AUOCFIDFRKYMKT-UHFFFAOYSA-N 1 2 326.444 3.868 20 0 EHADLO CCCCOc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000434079099 1019927251 /nfs/dbraw/zinc/92/72/51/1019927251.db2.gz AUOCFIDFRKYMKT-UHFFFAOYSA-N 1 2 326.444 3.868 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1C ZINC000050448745 1019929523 /nfs/dbraw/zinc/92/95/23/1019929523.db2.gz GYYHYWOBDPWASS-WBMJQRKESA-N 1 2 342.439 3.672 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ccc(C)cc2)c1C ZINC000050447978 1019931334 /nfs/dbraw/zinc/93/13/34/1019931334.db2.gz IEIUQWVSTBXXGG-UHFFFAOYSA-N 1 2 326.440 3.655 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340749535 1019946645 /nfs/dbraw/zinc/94/66/45/1019946645.db2.gz WOUAYXHUTDXGMC-SFTDATJTSA-N 1 2 345.446 3.741 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340749534 1019947347 /nfs/dbraw/zinc/94/73/47/1019947347.db2.gz WOUAYXHUTDXGMC-RTWAWAEBSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1cc(N2CCc3cccc(Br)c3C2)nc(C2CC2)[nH+]1 ZINC000345140280 1019968057 /nfs/dbraw/zinc/96/80/57/1019968057.db2.gz ZACQTTGMLDHHCQ-UHFFFAOYSA-N 1 2 344.256 3.988 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cncc(OCC3CCCC3)n1)CCC2 ZINC000345182998 1020034840 /nfs/dbraw/zinc/03/48/40/1020034840.db2.gz UAKFVJBJQUJYNL-MRXNPFEDSA-N 1 2 341.459 3.540 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000345258751 1020115493 /nfs/dbraw/zinc/11/54/93/1020115493.db2.gz XQZWRSJZQQGMRW-WDYCEAGBSA-N 1 2 325.456 3.794 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[C@@H](C)C2)c(C)c1 ZINC000345258743 1020116135 /nfs/dbraw/zinc/11/61/35/1020116135.db2.gz XQZWRSJZQQGMRW-AYBZRNKSSA-N 1 2 325.456 3.794 20 0 EHADLO C[C@@]1(O)CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000280192933 1020158497 /nfs/dbraw/zinc/15/84/97/1020158497.db2.gz FPMIBQCMQFGDEH-MRXNPFEDSA-N 1 2 335.245 3.739 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000528830163 1032879679 /nfs/dbraw/zinc/87/96/79/1032879679.db2.gz RXKYWGRJNNPJNN-RISCZKNCSA-N 1 2 337.345 3.683 20 0 EHADLO Cc1sc2nc(C)nc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1C ZINC000345357018 1020179166 /nfs/dbraw/zinc/17/91/66/1020179166.db2.gz SJMDEHIOZWTXPU-NHYWBVRUSA-N 1 2 341.484 3.901 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1OC(F)(F)F ZINC000280245281 1020204647 /nfs/dbraw/zinc/20/46/47/1020204647.db2.gz KSSBNEIJANFRHH-ZDUSSCGKSA-N 1 2 347.283 3.687 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)c[nH+]1 ZINC000897593361 1032883421 /nfs/dbraw/zinc/88/34/21/1032883421.db2.gz BBYHBNIAFZNHQM-SJLPKXTDSA-N 1 2 325.456 3.640 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)sc2C1 ZINC001143383050 1020217633 /nfs/dbraw/zinc/21/76/33/1020217633.db2.gz AQSYSZQHRZFCPJ-IJLUTSLNSA-N 1 2 330.457 3.513 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)sc2C1 ZINC001143383050 1020217640 /nfs/dbraw/zinc/21/76/40/1020217640.db2.gz AQSYSZQHRZFCPJ-IJLUTSLNSA-N 1 2 330.457 3.513 20 0 EHADLO CC(C)[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccnc1 ZINC000093224771 1032885585 /nfs/dbraw/zinc/88/55/85/1032885585.db2.gz SHOMNTOZCAOEPM-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccnc1 ZINC000093224771 1032885600 /nfs/dbraw/zinc/88/56/00/1032885600.db2.gz SHOMNTOZCAOEPM-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(C)nc1C(C)(C)C ZINC000280293056 1020261490 /nfs/dbraw/zinc/26/14/90/1020261490.db2.gz SJBZBFPJRSXZQR-UHFFFAOYSA-N 1 2 337.427 3.668 20 0 EHADLO O[C@H]1CCOC2(CC[NH+](Cc3cc(Cl)sc3Cl)CC2)C1 ZINC000933055546 1020313850 /nfs/dbraw/zinc/31/38/50/1020313850.db2.gz NJNQLKTXHGNXIA-NSHDSACASA-N 1 2 336.284 3.561 20 0 EHADLO CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000280373507 1020330859 /nfs/dbraw/zinc/33/08/59/1020330859.db2.gz YJFGAXQFSIUSHX-JKSUJKDBSA-N 1 2 327.428 3.919 20 0 EHADLO CSc1ccc(F)cc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000340846383 1020402568 /nfs/dbraw/zinc/40/25/68/1020402568.db2.gz DOOCLVGUJRSHQT-GOSISDBHSA-N 1 2 344.455 3.657 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000933084571 1020408316 /nfs/dbraw/zinc/40/83/16/1020408316.db2.gz SUPDBBPXSNTDIR-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000933084571 1020408317 /nfs/dbraw/zinc/40/83/17/1020408317.db2.gz SUPDBBPXSNTDIR-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO COc1cccc(F)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000345724191 1020474749 /nfs/dbraw/zinc/47/47/49/1020474749.db2.gz PTPIEIGGYZIWKR-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C)C[C@@H](C)O1 ZINC000340869838 1020490146 /nfs/dbraw/zinc/49/01/46/1020490146.db2.gz AEABHNOFKAWRSJ-DODZYUBVSA-N 1 2 342.483 3.837 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C2([NH2+]Cc3cnccn3)CC2)c1 ZINC000581176781 1020503120 /nfs/dbraw/zinc/50/31/20/1020503120.db2.gz WPNUIDXPTYHRFS-UHFFFAOYSA-N 1 2 327.737 3.928 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1nc(Br)cs1 ZINC000834759488 1020531066 /nfs/dbraw/zinc/53/10/66/1020531066.db2.gz CUCXJKRNHIFYLK-YUMQZZPRSA-N 1 2 330.226 3.852 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc(N)c(Cl)c3)c[nH+]2)C[C@H](C)O1 ZINC001212105509 1032916293 /nfs/dbraw/zinc/91/62/93/1032916293.db2.gz GJQKBFHYRIEWOJ-TXEJJXNPSA-N 1 2 332.835 3.674 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2s1 ZINC000066979788 1020592067 /nfs/dbraw/zinc/59/20/67/1020592067.db2.gz NRWFJBLYCGDVGR-UHFFFAOYSA-N 1 2 343.456 3.828 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000128630955 1020617755 /nfs/dbraw/zinc/61/77/55/1020617755.db2.gz SIPCABQFQXUEGN-MRXNPFEDSA-N 1 2 328.481 3.504 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N(C)Cc1nccn1C(F)F ZINC000276116665 1020661839 /nfs/dbraw/zinc/66/18/39/1020661839.db2.gz WZDCNIUHTQGDRR-UHFFFAOYSA-N 1 2 332.354 3.780 20 0 EHADLO CCc1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cn1 ZINC000414413109 1020679847 /nfs/dbraw/zinc/67/98/47/1020679847.db2.gz RPZDLZWVHHRJKL-HNNXBMFYSA-N 1 2 331.847 3.736 20 0 EHADLO CCc1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cn1 ZINC000414413109 1020679865 /nfs/dbraw/zinc/67/98/65/1020679865.db2.gz RPZDLZWVHHRJKL-HNNXBMFYSA-N 1 2 331.847 3.736 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCSC2(CCOCC2)C1 ZINC000276145120 1020717088 /nfs/dbraw/zinc/71/70/88/1020717088.db2.gz DAXAWZBPMJCIBE-UHFFFAOYSA-N 1 2 344.480 3.654 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+][C@H]3CCSC3)c3ccccc3)n2)cc1 ZINC000581345251 1020718885 /nfs/dbraw/zinc/71/88/85/1020718885.db2.gz HFWUUZSATRJFPN-IRXDYDNUSA-N 1 2 337.448 3.921 20 0 EHADLO Cc1cc(NC(=O)NCCCCc2ccc(F)c(F)c2)c(C)c[nH+]1 ZINC000548160810 1020758940 /nfs/dbraw/zinc/75/89/40/1020758940.db2.gz JPOURAQJCHRBEM-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000602500246 1032925523 /nfs/dbraw/zinc/92/55/23/1032925523.db2.gz XIWYVOFLZFXYBN-QMMMGPOBSA-N 1 2 329.183 3.619 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)c(C)c1 ZINC000684230140 1020826641 /nfs/dbraw/zinc/82/66/41/1020826641.db2.gz CUSQXIUPRPBMKG-MRXNPFEDSA-N 1 2 334.423 3.973 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000341006925 1020832823 /nfs/dbraw/zinc/83/28/23/1020832823.db2.gz DXAPFPZEJCCHRN-KRWDZBQOSA-N 1 2 328.481 3.764 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000341006925 1020832828 /nfs/dbraw/zinc/83/28/28/1020832828.db2.gz DXAPFPZEJCCHRN-KRWDZBQOSA-N 1 2 328.481 3.764 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(Cl)c3cccnc13)C2 ZINC000933261081 1020834603 /nfs/dbraw/zinc/83/46/03/1020834603.db2.gz AIMDUUOQSWMRKH-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO COc1ccc([C@H](NCc2[nH+]cc(C)n2C)c2ccc(F)cc2)cc1 ZINC000341061635 1020946271 /nfs/dbraw/zinc/94/62/71/1020946271.db2.gz WUBPMUJQGWBIDV-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000341136553 1021000775 /nfs/dbraw/zinc/00/07/75/1021000775.db2.gz ZVPJRDSRSIMECQ-QPUJVOFHSA-N 1 2 331.218 3.546 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606982882 1032948620 /nfs/dbraw/zinc/94/86/20/1032948620.db2.gz LTMZUPQCPSGLDY-QGZVFWFLSA-N 1 2 326.444 3.737 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3nccc4sccc43)CC2)c1F ZINC000581511761 1021032272 /nfs/dbraw/zinc/03/22/72/1021032272.db2.gz AWNBKJXIEJWYRV-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000341192237 1021071615 /nfs/dbraw/zinc/07/16/15/1021071615.db2.gz ZUYMYMWMUFYSIS-CVEARBPZSA-N 1 2 326.444 3.592 20 0 EHADLO COc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1Cl ZINC000656642842 1021077255 /nfs/dbraw/zinc/07/72/55/1021077255.db2.gz RETPGYKJNFJHTK-UHFFFAOYSA-N 1 2 346.858 3.793 20 0 EHADLO O=C(c1ccc(Cl)cc1O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436798655 1021220686 /nfs/dbraw/zinc/22/06/86/1021220686.db2.gz LYMFTKSNKPSZNY-UHFFFAOYSA-N 1 2 347.846 3.575 20 0 EHADLO COCc1cc(C[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)no1 ZINC000516253927 1021235199 /nfs/dbraw/zinc/23/51/99/1021235199.db2.gz CTRVHGFVCGXMCJ-UHFFFAOYSA-N 1 2 344.455 3.988 20 0 EHADLO CNC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000426316588 1021251002 /nfs/dbraw/zinc/25/10/02/1021251002.db2.gz HHYHUMMWLMOBDV-YVEFUNNKSA-N 1 2 334.822 3.601 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000593539140 1032969396 /nfs/dbraw/zinc/96/93/96/1032969396.db2.gz GFOUMOSQOIRVFA-AEFFLSMTSA-N 1 2 326.444 3.608 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000276434037 1021315688 /nfs/dbraw/zinc/31/56/88/1021315688.db2.gz JLICSQPFNBNXAP-GFCCVEGCSA-N 1 2 349.837 3.886 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1c[nH+]cc2c1CCCC2 ZINC000656777062 1021327684 /nfs/dbraw/zinc/32/76/84/1021327684.db2.gz ZLBIZILAPGROBA-UHFFFAOYSA-N 1 2 333.439 3.770 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(C[S@](=O)c3ccccc3)c2)n1C ZINC000341290964 1021344495 /nfs/dbraw/zinc/34/44/95/1021344495.db2.gz UCEAHLXOZLWHBS-DEOSSOPVSA-N 1 2 339.464 3.648 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143579230 1021369483 /nfs/dbraw/zinc/36/94/83/1021369483.db2.gz JPSADRUKMWOKQY-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143579230 1021369500 /nfs/dbraw/zinc/36/95/00/1021369500.db2.gz JPSADRUKMWOKQY-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc(C)ncn2)c2ccccc2OC)cc1 ZINC000427414426 1021375938 /nfs/dbraw/zinc/37/59/38/1021375938.db2.gz MROAYCZHQUXDIW-NRFANRHFSA-N 1 2 349.434 3.681 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)Nc3cccc4[nH+]ccn43)c2)cc1 ZINC000341299776 1021387406 /nfs/dbraw/zinc/38/74/06/1021387406.db2.gz AGYXZQUAJSQVOM-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)on1 ZINC000581674823 1021441884 /nfs/dbraw/zinc/44/18/84/1021441884.db2.gz YSYAMMDBWVZHCI-UHFFFAOYSA-N 1 2 339.395 3.706 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cnn1C(C)(C)C ZINC000276475363 1021445277 /nfs/dbraw/zinc/44/52/77/1021445277.db2.gz FDZRGSPKDDYICL-ZBEGNZNMSA-N 1 2 337.414 3.609 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(O)cc1O ZINC000436997751 1021454985 /nfs/dbraw/zinc/45/49/85/1021454985.db2.gz ABMSOKFYRQYIED-UHFFFAOYSA-N 1 2 349.390 3.550 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)n1 ZINC000664878799 1021467199 /nfs/dbraw/zinc/46/71/99/1021467199.db2.gz WTPHFZRHGVNNKN-UHFFFAOYSA-N 1 2 329.492 3.562 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)n1 ZINC000664878799 1021467203 /nfs/dbraw/zinc/46/72/03/1021467203.db2.gz WTPHFZRHGVNNKN-UHFFFAOYSA-N 1 2 329.492 3.562 20 0 EHADLO C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000439492976 1021484013 /nfs/dbraw/zinc/48/40/13/1021484013.db2.gz CNCBCYJNNBWVFY-JKSUJKDBSA-N 1 2 342.443 3.520 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)c1cncnc1)CCO2 ZINC000437056297 1021512343 /nfs/dbraw/zinc/51/23/43/1021512343.db2.gz QCCOXQYSJYMNRA-AZUAARDMSA-N 1 2 335.382 3.819 20 0 EHADLO C[C@H](CNC(=O)C(C)(C)CCCc1ccccc1)Cn1cc[nH+]c1 ZINC000473870637 1021514117 /nfs/dbraw/zinc/51/41/17/1021514117.db2.gz YTOAXFGZKVKVDC-QGZVFWFLSA-N 1 2 327.472 3.685 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000607094142 1032985155 /nfs/dbraw/zinc/98/51/55/1032985155.db2.gz ONDJPEKXKPSSGA-QZTJIDSGSA-N 1 2 347.503 3.640 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc2cnccc2o1 ZINC000593619910 1032987277 /nfs/dbraw/zinc/98/72/77/1032987277.db2.gz IODDZBUSNUAEPH-ROUUACIJSA-N 1 2 336.391 3.707 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc2cnccc2o1 ZINC000593619910 1032987293 /nfs/dbraw/zinc/98/72/93/1032987293.db2.gz IODDZBUSNUAEPH-ROUUACIJSA-N 1 2 336.391 3.707 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccccc1 ZINC000437108979 1021563820 /nfs/dbraw/zinc/56/38/20/1021563820.db2.gz PSQGVZIFDPTVAT-HXUWFJFHSA-N 1 2 338.430 3.952 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000516577820 1021566479 /nfs/dbraw/zinc/56/64/79/1021566479.db2.gz QFJDGWAZOWIWRR-SHTZXODSSA-N 1 2 327.403 3.682 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000246855441 1021577087 /nfs/dbraw/zinc/57/70/87/1021577087.db2.gz SGLLXMKOPKVPDV-AEFFLSMTSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000246855441 1021577100 /nfs/dbraw/zinc/57/71/00/1021577100.db2.gz SGLLXMKOPKVPDV-AEFFLSMTSA-N 1 2 349.377 3.605 20 0 EHADLO CC[C@@H](F)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000440523008 1021583700 /nfs/dbraw/zinc/58/37/00/1021583700.db2.gz XPCCONDRRZJPJF-JOYOIKCWSA-N 1 2 342.212 3.898 20 0 EHADLO COC1(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000276526614 1021618129 /nfs/dbraw/zinc/61/81/29/1021618129.db2.gz FKOQEXNWVCZOSZ-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000624621158 1021640267 /nfs/dbraw/zinc/64/02/67/1021640267.db2.gz VPPWSQSUSNFPNC-NSHDSACASA-N 1 2 341.789 3.568 20 0 EHADLO C[N@H+]1CCOC[C@@H]1CNc1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000624621158 1021640281 /nfs/dbraw/zinc/64/02/81/1021640281.db2.gz VPPWSQSUSNFPNC-NSHDSACASA-N 1 2 341.789 3.568 20 0 EHADLO CCC(C)(C)NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469453282 1021652383 /nfs/dbraw/zinc/65/23/83/1021652383.db2.gz XDKOMEAANMNVEY-UHFFFAOYSA-N 1 2 336.426 3.749 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000519740761 1021652742 /nfs/dbraw/zinc/65/27/42/1021652742.db2.gz LKYLNIVONFRHRQ-MRXNPFEDSA-N 1 2 336.395 3.557 20 0 EHADLO CO[C@H](CC(C)C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414899962 1021685098 /nfs/dbraw/zinc/68/50/98/1021685098.db2.gz CRQLDWAXQKWWET-GOSISDBHSA-N 1 2 341.455 3.886 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@H](C)O1 ZINC000439772004 1021712591 /nfs/dbraw/zinc/71/25/91/1021712591.db2.gz FNAAYRMUONWFRS-DZGCQCFKSA-N 1 2 335.444 3.790 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@H](C)O1 ZINC000439772004 1021712605 /nfs/dbraw/zinc/71/26/05/1021712605.db2.gz FNAAYRMUONWFRS-DZGCQCFKSA-N 1 2 335.444 3.790 20 0 EHADLO CC(C)c1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000519859755 1021730417 /nfs/dbraw/zinc/73/04/17/1021730417.db2.gz MFXJLHDGDUDKQK-UHFFFAOYSA-N 1 2 347.462 3.914 20 0 EHADLO F[C@H]1CC2(CC[C@@H]1[NH+](Cc1ccco1)Cc1ccco1)OCCO2 ZINC000891497755 1021765941 /nfs/dbraw/zinc/76/59/41/1021765941.db2.gz IMVIFINEGYGJJC-IRXDYDNUSA-N 1 2 335.375 3.509 20 0 EHADLO CSCC[C@@H](C)N(C)c1cc(N(C)[C@@H](C)CCSC)nc[nH+]1 ZINC000439849805 1021766850 /nfs/dbraw/zinc/76/68/50/1021766850.db2.gz ZQZPQTSWEQHACH-OKILXGFUSA-N 1 2 342.578 3.632 20 0 EHADLO CSCC[C@@H](C)N(C)c1cc(N(C)[C@@H](C)CCSC)[nH+]cn1 ZINC000439849805 1021766866 /nfs/dbraw/zinc/76/68/66/1021766866.db2.gz ZQZPQTSWEQHACH-OKILXGFUSA-N 1 2 342.578 3.632 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ncc(-c3ccc(OC)cc3)o2)cc1 ZINC000140459035 1033002468 /nfs/dbraw/zinc/00/24/68/1033002468.db2.gz XYLYRWQDSRPRAV-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(OC)cc3)o2)cc1 ZINC000140459035 1033002481 /nfs/dbraw/zinc/00/24/81/1033002481.db2.gz XYLYRWQDSRPRAV-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3ncnn3CCF)cc2)cs1 ZINC000440782332 1021775012 /nfs/dbraw/zinc/77/50/12/1021775012.db2.gz JWDDVQFDSCOIIM-GFCCVEGCSA-N 1 2 345.447 3.530 20 0 EHADLO Cc1nnc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)s1 ZINC000894888582 1021782899 /nfs/dbraw/zinc/78/28/99/1021782899.db2.gz FGQDISQTJGYPNG-UHFFFAOYSA-N 1 2 335.476 3.843 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[C@H]3CCC[C@H]3C1)C2 ZINC000476166911 1033008580 /nfs/dbraw/zinc/00/85/80/1033008580.db2.gz WKSUANXFYHNENJ-QKPAOTATSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@H]3CCC[C@H]3C1)CC2 ZINC000476166911 1033008595 /nfs/dbraw/zinc/00/85/95/1033008595.db2.gz WKSUANXFYHNENJ-QKPAOTATSA-N 1 2 329.488 3.723 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440895075 1021852808 /nfs/dbraw/zinc/85/28/08/1021852808.db2.gz ORAIFNHMIBKOGY-IRXDYDNUSA-N 1 2 340.467 3.861 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440895075 1021852825 /nfs/dbraw/zinc/85/28/25/1021852825.db2.gz ORAIFNHMIBKOGY-IRXDYDNUSA-N 1 2 340.467 3.861 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCCc3oc(C)nc32)cc1OC ZINC000925065088 1021900812 /nfs/dbraw/zinc/90/08/12/1021900812.db2.gz KVWKWIXFRVETOK-QMTHXVAHSA-N 1 2 334.391 3.868 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cn1 ZINC000276586300 1021917933 /nfs/dbraw/zinc/91/79/33/1021917933.db2.gz CSZMCABPPXGSDX-UHFFFAOYSA-N 1 2 346.475 3.519 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)no1 ZINC000441039888 1021936988 /nfs/dbraw/zinc/93/69/88/1021936988.db2.gz WLJKTIWFCWNQFU-BEFAXECRSA-N 1 2 349.434 3.869 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)no1 ZINC000441039888 1021936996 /nfs/dbraw/zinc/93/69/96/1021936996.db2.gz WLJKTIWFCWNQFU-BEFAXECRSA-N 1 2 349.434 3.869 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441037378 1021945732 /nfs/dbraw/zinc/94/57/32/1021945732.db2.gz GZQCQRVWCFRXCR-OAHLLOKOSA-N 1 2 338.426 3.552 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441037378 1021945745 /nfs/dbraw/zinc/94/57/45/1021945745.db2.gz GZQCQRVWCFRXCR-OAHLLOKOSA-N 1 2 338.426 3.552 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC000437575489 1021961952 /nfs/dbraw/zinc/96/19/52/1021961952.db2.gz DJOQKYMUJUKZSK-QGZVFWFLSA-N 1 2 325.437 3.712 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC000437575489 1021961959 /nfs/dbraw/zinc/96/19/59/1021961959.db2.gz DJOQKYMUJUKZSK-QGZVFWFLSA-N 1 2 325.437 3.712 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1C ZINC000517038389 1021967224 /nfs/dbraw/zinc/96/72/24/1021967224.db2.gz AFBJJVATDZLWPM-GOSISDBHSA-N 1 2 349.478 3.665 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1C ZINC000517038389 1021967228 /nfs/dbraw/zinc/96/72/28/1021967228.db2.gz AFBJJVATDZLWPM-GOSISDBHSA-N 1 2 349.478 3.665 20 0 EHADLO CCOc1cc(F)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC001143580328 1021971466 /nfs/dbraw/zinc/97/14/66/1021971466.db2.gz FTFPZYCSTOOVHA-OAHLLOKOSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1cc(F)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC001143580328 1021971470 /nfs/dbraw/zinc/97/14/70/1021971470.db2.gz FTFPZYCSTOOVHA-OAHLLOKOSA-N 1 2 333.378 3.799 20 0 EHADLO Cc1c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc(F)c1F ZINC000517086934 1022004554 /nfs/dbraw/zinc/00/45/54/1022004554.db2.gz MEWKLXVIZWWNHQ-NSHDSACASA-N 1 2 333.382 3.863 20 0 EHADLO Cc1c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc(F)c1F ZINC000517086934 1022004560 /nfs/dbraw/zinc/00/45/60/1022004560.db2.gz MEWKLXVIZWWNHQ-NSHDSACASA-N 1 2 333.382 3.863 20 0 EHADLO CCSCc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593737512 1033022008 /nfs/dbraw/zinc/02/20/08/1033022008.db2.gz NCEJWHYIQUJBNE-UHFFFAOYSA-N 1 2 329.469 3.654 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)C/C=C\c1ccccc1OC ZINC000506788279 1022009653 /nfs/dbraw/zinc/00/96/53/1022009653.db2.gz NVPFTAWOJCBXMN-XFXZXTDPSA-N 1 2 338.451 3.841 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)C/C=C\c1ccccc1OC ZINC000506788279 1022009672 /nfs/dbraw/zinc/00/96/72/1022009672.db2.gz NVPFTAWOJCBXMN-XFXZXTDPSA-N 1 2 338.451 3.841 20 0 EHADLO CCOc1ccc(CCNc2cc(C)[nH+]c(C3CC3)n2)cc1OCC ZINC000341471212 1022012642 /nfs/dbraw/zinc/01/26/42/1022012642.db2.gz CBHHHDQALRAYHW-UHFFFAOYSA-N 1 2 341.455 3.536 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000441175800 1022035692 /nfs/dbraw/zinc/03/56/92/1022035692.db2.gz QURSJMRDMCPYRX-INIZCTEOSA-N 1 2 341.329 3.751 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000441175800 1022035707 /nfs/dbraw/zinc/03/57/07/1022035707.db2.gz QURSJMRDMCPYRX-INIZCTEOSA-N 1 2 341.329 3.751 20 0 EHADLO Cc1cc(NCc2ccccc2OCC(F)(F)F)nc(C2CC2)[nH+]1 ZINC000341499118 1022038602 /nfs/dbraw/zinc/03/86/02/1022038602.db2.gz MPZYMIVGDUGHMD-UHFFFAOYSA-N 1 2 337.345 3.638 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000341507912 1022045388 /nfs/dbraw/zinc/04/53/88/1022045388.db2.gz REAUXINCXQSENV-LBPRGKRZSA-N 1 2 325.334 3.577 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(Br)c(Cl)s2)[nH]1 ZINC000276660765 1022060913 /nfs/dbraw/zinc/06/09/13/1022060913.db2.gz WFDRRGNQNLCDQU-ZCFIWIBFSA-N 1 2 349.685 3.695 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(CC(F)(F)F)no2)c(C)c1 ZINC000441213006 1022070544 /nfs/dbraw/zinc/07/05/44/1022070544.db2.gz XYGVHIAIOJXKOU-LBPRGKRZSA-N 1 2 327.350 3.984 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(CC(F)(F)F)no2)c(C)c1 ZINC000441213006 1022070558 /nfs/dbraw/zinc/07/05/58/1022070558.db2.gz XYGVHIAIOJXKOU-LBPRGKRZSA-N 1 2 327.350 3.984 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000276668285 1022106846 /nfs/dbraw/zinc/10/68/46/1022106846.db2.gz YVIZATWHANOWHP-UHFFFAOYSA-N 1 2 345.493 3.705 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1C ZINC000466960538 1022116322 /nfs/dbraw/zinc/11/63/22/1022116322.db2.gz WORUTPIGKXRTQF-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1C ZINC000466960538 1022116327 /nfs/dbraw/zinc/11/63/27/1022116327.db2.gz WORUTPIGKXRTQF-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cc(C)cc(OCCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000520321286 1022125554 /nfs/dbraw/zinc/12/55/54/1022125554.db2.gz JAEBWBBSSOIVJM-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO Cc1cc(C)cc(OCCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000520321286 1022125557 /nfs/dbraw/zinc/12/55/57/1022125557.db2.gz JAEBWBBSSOIVJM-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCN(c4cccc(O)c4)CC3)co2)cc1 ZINC000506124622 1022126902 /nfs/dbraw/zinc/12/69/02/1022126902.db2.gz HSIDCKOWDSTYFG-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO CCc1ccc2occ(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000375642912 1022148430 /nfs/dbraw/zinc/14/84/30/1022148430.db2.gz PZCCRPOJEMUKPS-UHFFFAOYSA-N 1 2 337.423 3.501 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437817607 1022167113 /nfs/dbraw/zinc/16/71/13/1022167113.db2.gz UFUHSXUFRREVCM-VQTJNVASSA-N 1 2 348.450 3.624 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccccn2)c(-c2ccccc2)s1 ZINC000441387527 1022205017 /nfs/dbraw/zinc/20/50/17/1022205017.db2.gz QCICASSAIJOJML-UHFFFAOYSA-N 1 2 325.437 3.641 20 0 EHADLO CC(=O)c1cc(F)ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000607988180 1022231148 /nfs/dbraw/zinc/23/11/48/1022231148.db2.gz FWRWPVRZGPLESG-VMPITWQZSA-N 1 2 338.426 3.864 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccc(Br)cc1F ZINC000894435934 1022280740 /nfs/dbraw/zinc/28/07/40/1022280740.db2.gz QEWVWJWUMRWXDO-JTQLQIEISA-N 1 2 338.224 3.970 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000473631605 1022282214 /nfs/dbraw/zinc/28/22/14/1022282214.db2.gz UFGFVZPOXQOZCK-IYARVYRRSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000084221192 1022288890 /nfs/dbraw/zinc/28/88/90/1022288890.db2.gz GDACTDYLJATBNM-NSHDSACASA-N 1 2 328.250 3.611 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000084221192 1022288894 /nfs/dbraw/zinc/28/88/94/1022288894.db2.gz GDACTDYLJATBNM-NSHDSACASA-N 1 2 328.250 3.611 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000519544181 1022315711 /nfs/dbraw/zinc/31/57/11/1022315711.db2.gz IBNJBMLUGXSRPY-QGZVFWFLSA-N 1 2 329.831 3.854 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H](c2ccccc2)O1 ZINC000063126345 1033045048 /nfs/dbraw/zinc/04/50/48/1033045048.db2.gz UXBJFWQZIWRPAN-YJYMSZOUSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H](c2ccccc2)O1 ZINC000063126345 1033045064 /nfs/dbraw/zinc/04/50/64/1033045064.db2.gz UXBJFWQZIWRPAN-YJYMSZOUSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000894470605 1022348448 /nfs/dbraw/zinc/34/84/48/1022348448.db2.gz NRFOFZPBJKIHTM-UJAVWCLSSA-N 1 2 331.460 3.674 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000187857504 1022349920 /nfs/dbraw/zinc/34/99/20/1022349920.db2.gz PAHFIYCWQGIWJL-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccnn2C2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000895017896 1022381059 /nfs/dbraw/zinc/38/10/59/1022381059.db2.gz JQKYBXJNLFMRRG-QZTJIDSGSA-N 1 2 331.847 3.569 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccnn2C2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000895017896 1022381075 /nfs/dbraw/zinc/38/10/75/1022381075.db2.gz JQKYBXJNLFMRRG-QZTJIDSGSA-N 1 2 331.847 3.569 20 0 EHADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000517556436 1022441874 /nfs/dbraw/zinc/44/18/74/1022441874.db2.gz OGKYTJSTVYGGAW-UKRRQHHQSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000517556436 1022441879 /nfs/dbraw/zinc/44/18/79/1022441879.db2.gz OGKYTJSTVYGGAW-UKRRQHHQSA-N 1 2 334.529 3.675 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179271 1022443762 /nfs/dbraw/zinc/44/37/62/1022443762.db2.gz XKZSTJQJIQTYQR-HOTGVXAUSA-N 1 2 330.501 3.681 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179271 1022443768 /nfs/dbraw/zinc/44/37/68/1022443768.db2.gz XKZSTJQJIQTYQR-HOTGVXAUSA-N 1 2 330.501 3.681 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c[nH+]1 ZINC000897637575 1033052387 /nfs/dbraw/zinc/05/23/87/1033052387.db2.gz IKSITLQHQGXEIB-RBUKOAKNSA-N 1 2 333.435 3.752 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119448301 1033056171 /nfs/dbraw/zinc/05/61/71/1033056171.db2.gz MPBXZFHYWCXZIE-BEFAXECRSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000303634586 1022501900 /nfs/dbraw/zinc/50/19/00/1022501900.db2.gz GKSQBIJMJIEYRA-NEWSRXKRSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000303634586 1022501911 /nfs/dbraw/zinc/50/19/11/1022501911.db2.gz GKSQBIJMJIEYRA-NEWSRXKRSA-N 1 2 346.540 3.780 20 0 EHADLO CC[N@H+](CCc1cccs1)Cc1noc(Cc2ccccc2)n1 ZINC000517618752 1022504696 /nfs/dbraw/zinc/50/46/96/1022504696.db2.gz WSMWLGBVVQFOJK-UHFFFAOYSA-N 1 2 327.453 3.787 20 0 EHADLO CC[N@@H+](CCc1cccs1)Cc1noc(Cc2ccccc2)n1 ZINC000517618752 1022504707 /nfs/dbraw/zinc/50/47/07/1022504707.db2.gz WSMWLGBVVQFOJK-UHFFFAOYSA-N 1 2 327.453 3.787 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001211844307 1022505707 /nfs/dbraw/zinc/50/57/07/1022505707.db2.gz RQNVPYSBQMHDLM-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO Cn1ccnc1C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000328890103 1022530086 /nfs/dbraw/zinc/53/00/86/1022530086.db2.gz RFZFELRTSYHVMF-QGZVFWFLSA-N 1 2 344.846 3.671 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CCc1ccccc1 ZINC000438316052 1022539073 /nfs/dbraw/zinc/53/90/73/1022539073.db2.gz NYVUDUFOLBSRFU-BEFAXECRSA-N 1 2 329.415 3.521 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CNc1ccccc1O[C@@H]1CCOC1 ZINC000438307483 1022546662 /nfs/dbraw/zinc/54/66/62/1022546662.db2.gz SQJWLKOSROGBFC-LJQANCHMSA-N 1 2 349.434 3.711 20 0 EHADLO CC(C)Cn1nccc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000647207327 1022548093 /nfs/dbraw/zinc/54/80/93/1022548093.db2.gz KRSONUKLMVKFFC-SNVBAGLBSA-N 1 2 332.395 3.865 20 0 EHADLO CC(C)(C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425977007 1022552426 /nfs/dbraw/zinc/55/24/26/1022552426.db2.gz IUQLIARFOJTSMD-ZWKOTPCHSA-N 1 2 340.471 3.847 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccccc2Cl)c1C ZINC000051335681 1022568942 /nfs/dbraw/zinc/56/89/42/1022568942.db2.gz JTPOWYXKUTXHEQ-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(C)CCCCC3)CC2)c1 ZINC000548373198 1022569295 /nfs/dbraw/zinc/56/92/95/1022569295.db2.gz WXRHKRJCIJJRHT-KRWDZBQOSA-N 1 2 344.499 3.871 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(C)c1OC(F)F ZINC000593825649 1033066563 /nfs/dbraw/zinc/06/65/63/1033066563.db2.gz UAOJTGXEJSUKQU-HNNXBMFYSA-N 1 2 349.381 3.579 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833617 1022588552 /nfs/dbraw/zinc/58/85/52/1022588552.db2.gz QECNAFQZVSFQSZ-UGSOOPFHSA-N 1 2 334.423 3.612 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833617 1022588559 /nfs/dbraw/zinc/58/85/59/1022588559.db2.gz QECNAFQZVSFQSZ-UGSOOPFHSA-N 1 2 334.423 3.612 20 0 EHADLO Cc1ncoc1C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000894588401 1022594049 /nfs/dbraw/zinc/59/40/49/1022594049.db2.gz ULNLGAUGNRDJHI-NSHDSACASA-N 1 2 325.231 3.682 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)Cc2ccccc2C)c1 ZINC000510505569 1022612010 /nfs/dbraw/zinc/61/20/10/1022612010.db2.gz YHATTZWNHPMAFI-QGZVFWFLSA-N 1 2 333.435 3.850 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000476229918 1033067624 /nfs/dbraw/zinc/06/76/24/1033067624.db2.gz SVTYGXDOQGFDQY-MAUKXSAKSA-N 1 2 332.463 3.857 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)o1 ZINC000330690308 1022639592 /nfs/dbraw/zinc/63/95/92/1022639592.db2.gz FQCTVDFVEQNSGE-OAHLLOKOSA-N 1 2 329.444 3.853 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004963 1022639918 /nfs/dbraw/zinc/63/99/18/1022639918.db2.gz BLTHGGDAUXBZQP-ROPFZHTMSA-N 1 2 325.412 3.621 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004963 1022639922 /nfs/dbraw/zinc/63/99/22/1022639922.db2.gz BLTHGGDAUXBZQP-ROPFZHTMSA-N 1 2 325.412 3.621 20 0 EHADLO CSc1ccc(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000602687221 1033069575 /nfs/dbraw/zinc/06/95/75/1033069575.db2.gz WETBMADRWZIXJM-UHFFFAOYSA-N 1 2 325.437 3.570 20 0 EHADLO Cc1cc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000894634720 1022647093 /nfs/dbraw/zinc/64/70/93/1022647093.db2.gz NVICQJVDBXCAFQ-AAEUAGOBSA-N 1 2 329.366 3.599 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+]Cc3conc3Cc3ccccc3)nc21 ZINC000550174162 1022649541 /nfs/dbraw/zinc/64/95/41/1022649541.db2.gz FDGGFXREPISPHC-UHFFFAOYSA-N 1 2 332.407 3.740 20 0 EHADLO C/C(=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665007743 1022675689 /nfs/dbraw/zinc/67/56/89/1022675689.db2.gz LJJGYODPZPVACN-ABWVVVHMSA-N 1 2 339.439 3.845 20 0 EHADLO C/C(=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665007743 1022675693 /nfs/dbraw/zinc/67/56/93/1022675693.db2.gz LJJGYODPZPVACN-ABWVVVHMSA-N 1 2 339.439 3.845 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000517786971 1022682799 /nfs/dbraw/zinc/68/27/99/1022682799.db2.gz IPCRFJSMUNYHEJ-CQSZACIVSA-N 1 2 338.411 3.658 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837156 1022706964 /nfs/dbraw/zinc/70/69/64/1022706964.db2.gz NAPZHRZFYLROIJ-MAUKXSAKSA-N 1 2 329.488 3.550 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837156 1022706975 /nfs/dbraw/zinc/70/69/75/1022706975.db2.gz NAPZHRZFYLROIJ-MAUKXSAKSA-N 1 2 329.488 3.550 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167917671 1033073990 /nfs/dbraw/zinc/07/39/90/1033073990.db2.gz LMJIPPWHHKUVQQ-ZIAGYGMSSA-N 1 2 328.815 3.749 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167917671 1033073999 /nfs/dbraw/zinc/07/39/99/1033073999.db2.gz LMJIPPWHHKUVQQ-ZIAGYGMSSA-N 1 2 328.815 3.749 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838501 1022710704 /nfs/dbraw/zinc/71/07/04/1022710704.db2.gz SLIORJHXPSBNJF-JXFKEZNVSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838501 1022710715 /nfs/dbraw/zinc/71/07/15/1022710715.db2.gz SLIORJHXPSBNJF-JXFKEZNVSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000438503809 1022716262 /nfs/dbraw/zinc/71/62/62/1022716262.db2.gz ZQQSOZJPAWAMEI-LJQANCHMSA-N 1 2 330.378 3.567 20 0 EHADLO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000438503809 1022716274 /nfs/dbraw/zinc/71/62/74/1022716274.db2.gz ZQQSOZJPAWAMEI-LJQANCHMSA-N 1 2 330.378 3.567 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(C2CCCC2)n1 ZINC000891786681 1022737579 /nfs/dbraw/zinc/73/75/79/1022737579.db2.gz QMRNVWBYYXNDAQ-LJQANCHMSA-N 1 2 343.471 3.852 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(C2CCCC2)n1 ZINC000891786681 1022737585 /nfs/dbraw/zinc/73/75/85/1022737585.db2.gz QMRNVWBYYXNDAQ-LJQANCHMSA-N 1 2 343.471 3.852 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510619998 1022769351 /nfs/dbraw/zinc/76/93/51/1022769351.db2.gz PWPNASCKJZAVSP-DLBZAZTESA-N 1 2 342.266 3.862 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510619998 1022769360 /nfs/dbraw/zinc/76/93/60/1022769360.db2.gz PWPNASCKJZAVSP-DLBZAZTESA-N 1 2 342.266 3.862 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000506284738 1022805398 /nfs/dbraw/zinc/80/53/98/1022805398.db2.gz XGQHHRWTTMUENL-JTQLQIEISA-N 1 2 335.753 3.744 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000506284738 1022805413 /nfs/dbraw/zinc/80/54/13/1022805413.db2.gz XGQHHRWTTMUENL-JTQLQIEISA-N 1 2 335.753 3.744 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476246680 1033083823 /nfs/dbraw/zinc/08/38/23/1033083823.db2.gz CRQPTNDKMLDWDL-OAUYIBNBSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476246680 1033083837 /nfs/dbraw/zinc/08/38/37/1033083837.db2.gz CRQPTNDKMLDWDL-OAUYIBNBSA-N 1 2 338.442 3.899 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)nc1 ZINC000341652901 1022826859 /nfs/dbraw/zinc/82/68/59/1022826859.db2.gz CWACLNLQLNAISI-MRXNPFEDSA-N 1 2 334.423 3.610 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]C2(c3ccccc3Cl)CCC2)on1 ZINC000602700256 1033087532 /nfs/dbraw/zinc/08/75/32/1033087532.db2.gz PZEYRIUZCRFOMP-UHFFFAOYSA-N 1 2 334.803 3.674 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)cc1Cl ZINC000353918839 1022915642 /nfs/dbraw/zinc/91/56/42/1022915642.db2.gz JGUVWAXLYYQFPB-APPDUMDISA-N 1 2 349.862 3.893 20 0 EHADLO C[N@H+](CCc1ccccc1)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188968190 1022925909 /nfs/dbraw/zinc/92/59/09/1022925909.db2.gz JLPSKBLGQXJHIA-UHFFFAOYSA-N 1 2 329.350 3.689 20 0 EHADLO C[N@@H+](CCc1ccccc1)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188968190 1022925931 /nfs/dbraw/zinc/92/59/31/1022925931.db2.gz JLPSKBLGQXJHIA-UHFFFAOYSA-N 1 2 329.350 3.689 20 0 EHADLO Cc1nnc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000894818198 1022952540 /nfs/dbraw/zinc/95/25/40/1022952540.db2.gz BTQONSPLGHZUMR-UHFFFAOYSA-N 1 2 327.375 3.540 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)o1 ZINC000343264549 1022953389 /nfs/dbraw/zinc/95/33/89/1022953389.db2.gz WGNKGUDYQRFWJG-CYBMUJFWSA-N 1 2 325.412 3.987 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)o1 ZINC000343264549 1022953401 /nfs/dbraw/zinc/95/34/01/1022953401.db2.gz WGNKGUDYQRFWJG-CYBMUJFWSA-N 1 2 325.412 3.987 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000933769261 1022966357 /nfs/dbraw/zinc/96/63/57/1022966357.db2.gz ZTTZWNCPAIRSST-OKYOBFRVSA-N 1 2 337.467 3.646 20 0 EHADLO CO[C@@H]1CCC[C@H]1[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000518091603 1022986260 /nfs/dbraw/zinc/98/62/60/1022986260.db2.gz UFDREDHMOUVGNC-QRVBRYPASA-N 1 2 349.434 3.983 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000341680756 1022986779 /nfs/dbraw/zinc/98/67/79/1022986779.db2.gz UPEJCRPUQHIYTG-HKUYNNGSSA-N 1 2 340.492 3.586 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000518095298 1022986916 /nfs/dbraw/zinc/98/69/16/1022986916.db2.gz VXAMYRRQDCLRJA-JSGCOSHPSA-N 1 2 346.793 3.848 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000506369678 1023012513 /nfs/dbraw/zinc/01/25/13/1023012513.db2.gz MKXPLKDUBWSVPZ-NRFANRHFSA-N 1 2 340.442 3.999 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000506369678 1023012521 /nfs/dbraw/zinc/01/25/21/1023012521.db2.gz MKXPLKDUBWSVPZ-NRFANRHFSA-N 1 2 340.442 3.999 20 0 EHADLO C[N@H+](Cc1noc(-c2ccsc2)n1)CC1(c2ccccc2)CC1 ZINC000189322541 1023017603 /nfs/dbraw/zinc/01/76/03/1023017603.db2.gz RRJXSNRIHQSLEI-UHFFFAOYSA-N 1 2 325.437 3.962 20 0 EHADLO C[N@@H+](Cc1noc(-c2ccsc2)n1)CC1(c2ccccc2)CC1 ZINC000189322541 1023017616 /nfs/dbraw/zinc/01/76/16/1023017616.db2.gz RRJXSNRIHQSLEI-UHFFFAOYSA-N 1 2 325.437 3.962 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000438829559 1023047111 /nfs/dbraw/zinc/04/71/11/1023047111.db2.gz KKGREERAQGOOPF-INIZCTEOSA-N 1 2 341.499 3.911 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2sc(C)nc2C(F)(F)F)c1C ZINC000639923801 1023067607 /nfs/dbraw/zinc/06/76/07/1023067607.db2.gz XRERJKUWEGYYLW-UHFFFAOYSA-N 1 2 346.422 3.936 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2sc(C)nc2C(F)(F)F)c1C ZINC000639923801 1023067611 /nfs/dbraw/zinc/06/76/11/1023067611.db2.gz XRERJKUWEGYYLW-UHFFFAOYSA-N 1 2 346.422 3.936 20 0 EHADLO CCCSCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441481609 1023152411 /nfs/dbraw/zinc/15/24/11/1023152411.db2.gz ODUXQELMVPMKNJ-KRWDZBQOSA-N 1 2 331.485 3.501 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2C)c(C)c1 ZINC000441483582 1023166160 /nfs/dbraw/zinc/16/61/60/1023166160.db2.gz WFOACZIWQWRAFY-HXUWFJFHSA-N 1 2 333.435 3.980 20 0 EHADLO CCC[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000077022241 1023169456 /nfs/dbraw/zinc/16/94/56/1023169456.db2.gz JIZPEYBLDCKYRJ-QGZVFWFLSA-N 1 2 332.492 3.768 20 0 EHADLO Cc1sccc1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000507221101 1023187516 /nfs/dbraw/zinc/18/75/16/1023187516.db2.gz FGUSFTRFQQKXTR-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000190469685 1023203598 /nfs/dbraw/zinc/20/35/98/1023203598.db2.gz FERBUGBSDFSFTI-IAGOWNOFSA-N 1 2 334.508 3.836 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000438998387 1023210164 /nfs/dbraw/zinc/21/01/64/1023210164.db2.gz IRHQFGUYGIOKQC-UWJYYQICSA-N 1 2 329.403 3.715 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccccc2)CC(F)F)c[nH+]1 ZINC000459067816 1023233571 /nfs/dbraw/zinc/23/35/71/1023233571.db2.gz BREBJWOLHUKBOO-UHFFFAOYSA-N 1 2 333.382 3.675 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000431082904 1023238525 /nfs/dbraw/zinc/23/85/25/1023238525.db2.gz WULGAQGWLWGICR-VQTJNVASSA-N 1 2 341.426 3.693 20 0 EHADLO CCCc1noc2nc(CC)cc(C(=O)Nc3ccc4[nH+]ccn4c3)c12 ZINC000669651740 1033117746 /nfs/dbraw/zinc/11/77/46/1033117746.db2.gz SDCWLAMZSOQNSJ-UHFFFAOYSA-N 1 2 349.394 3.638 20 0 EHADLO CCCCCCOc1ccc(C[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000295608125 1023269318 /nfs/dbraw/zinc/26/93/18/1023269318.db2.gz DKOQECXJPJINMS-UHFFFAOYSA-N 1 2 346.475 3.625 20 0 EHADLO COc1ccc(F)cc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000092470413 1023424436 /nfs/dbraw/zinc/42/44/36/1023424436.db2.gz ZYXGWVQRABFMDG-RUDMXATFSA-N 1 2 337.354 3.672 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2COc2ccccc2)c(C)c[nH+]1 ZINC000535747895 1023604862 /nfs/dbraw/zinc/60/48/62/1023604862.db2.gz QGNZLQVEWQOTNX-UHFFFAOYSA-N 1 2 332.403 3.952 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000535749163 1023606212 /nfs/dbraw/zinc/60/62/12/1023606212.db2.gz ORIOXOWSLQPXQM-LLVKDONJSA-N 1 2 336.357 3.956 20 0 EHADLO COCCCCN(Cc1ccccc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535773006 1023624125 /nfs/dbraw/zinc/62/41/25/1023624125.db2.gz UUWDONBROZTSAM-UHFFFAOYSA-N 1 2 341.455 3.581 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785600 1023633141 /nfs/dbraw/zinc/63/31/41/1023633141.db2.gz XMAGSIQURYPEMX-ZDUSSCGKSA-N 1 2 332.398 3.548 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785600 1023633144 /nfs/dbraw/zinc/63/31/44/1023633144.db2.gz XMAGSIQURYPEMX-ZDUSSCGKSA-N 1 2 332.398 3.548 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H]1CO ZINC000934016612 1023682118 /nfs/dbraw/zinc/68/21/18/1023682118.db2.gz IRRNGVGBSSJQEV-KOLCDFICSA-N 1 2 327.211 3.776 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H]1CO ZINC000934016612 1023682120 /nfs/dbraw/zinc/68/21/20/1023682120.db2.gz IRRNGVGBSSJQEV-KOLCDFICSA-N 1 2 327.211 3.776 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000180963290 1023690919 /nfs/dbraw/zinc/69/09/19/1023690919.db2.gz YRHVXVLPTLQTDS-AWEZNQCLSA-N 1 2 325.387 3.850 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nnc2ccccn21 ZINC000341928278 1023703895 /nfs/dbraw/zinc/70/38/95/1023703895.db2.gz ZYUKIYFUKVDYIJ-HNNXBMFYSA-N 1 2 349.360 3.630 20 0 EHADLO CC(C)c1ccc2occ(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000341931635 1023705091 /nfs/dbraw/zinc/70/50/91/1023705091.db2.gz GXJBZAZMVSKJRS-CQSZACIVSA-N 1 2 325.412 3.819 20 0 EHADLO COCC[C@H]([NH2+]Cc1ncc(C)cn1)c1ccc(Cl)c(Cl)c1 ZINC000342041197 1023774380 /nfs/dbraw/zinc/77/43/80/1023774380.db2.gz DKZNCHMTDGQFKB-HNNXBMFYSA-N 1 2 340.254 3.959 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000342085468 1023893628 /nfs/dbraw/zinc/89/36/28/1023893628.db2.gz LDMTYXLNLJQBHU-RBUKOAKNSA-N 1 2 349.409 3.875 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)s1 ZINC000091234733 1023952111 /nfs/dbraw/zinc/95/21/11/1023952111.db2.gz UQIORXJYCKXSJI-NSHDSACASA-N 1 2 338.864 3.706 20 0 EHADLO CCCc1sc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1CC ZINC000475015133 1023972329 /nfs/dbraw/zinc/97/23/29/1023972329.db2.gz QKBJIKOEJUESTI-UHFFFAOYSA-N 1 2 327.453 3.841 20 0 EHADLO CCCCCOc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000475015111 1023972607 /nfs/dbraw/zinc/97/26/07/1023972607.db2.gz QGQWDMLNGORXHD-UHFFFAOYSA-N 1 2 337.423 3.833 20 0 EHADLO CCc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000474077867 1024003455 /nfs/dbraw/zinc/00/34/55/1024003455.db2.gz CXORYSUMGSKRIC-UHFFFAOYSA-N 1 2 329.350 3.824 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)CC(C)(C)C ZINC000190994571 1024007043 /nfs/dbraw/zinc/00/70/43/1024007043.db2.gz PGGHCUXWKOKRJQ-BRWVUGGUSA-N 1 2 334.508 3.938 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000190636894 1024015640 /nfs/dbraw/zinc/01/56/40/1024015640.db2.gz NGHVWPHLPDHBGM-MRXNPFEDSA-N 1 2 332.492 3.590 20 0 EHADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1Cl ZINC000507772622 1024019742 /nfs/dbraw/zinc/01/97/42/1024019742.db2.gz GKTQKEVGLSTREY-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1Cl ZINC000507772622 1024019762 /nfs/dbraw/zinc/01/97/62/1024019762.db2.gz GKTQKEVGLSTREY-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1Cl ZINC000046469166 1033175167 /nfs/dbraw/zinc/17/51/67/1033175167.db2.gz MIZHFMQFVZMDHC-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO CCc1ccccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988827 1024032209 /nfs/dbraw/zinc/03/22/09/1024032209.db2.gz DNQHBTSRUXZBJQ-GOSISDBHSA-N 1 2 328.843 3.689 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000514008404 1024034854 /nfs/dbraw/zinc/03/48/54/1024034854.db2.gz INZJPSXBHYGTLC-UHFFFAOYSA-N 1 2 330.394 3.618 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000514008404 1024034864 /nfs/dbraw/zinc/03/48/64/1024034864.db2.gz INZJPSXBHYGTLC-UHFFFAOYSA-N 1 2 330.394 3.618 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1cccc(C)c1C ZINC000475022919 1024036127 /nfs/dbraw/zinc/03/61/27/1024036127.db2.gz HCKAGCJEPIWMQO-UHFFFAOYSA-N 1 2 343.377 3.903 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000520539079 1024070653 /nfs/dbraw/zinc/07/06/53/1024070653.db2.gz VRYZHQYBQMKPQY-UHFFFAOYSA-N 1 2 325.334 3.574 20 0 EHADLO C[C@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000346060355 1024071159 /nfs/dbraw/zinc/07/11/59/1024071159.db2.gz ITQFBALCACVVRN-VJRVKHOTSA-N 1 2 341.499 3.899 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1C ZINC000434484790 1024073762 /nfs/dbraw/zinc/07/37/62/1024073762.db2.gz QXKHYLXWPSSLDH-DLBZAZTESA-N 1 2 345.487 3.817 20 0 EHADLO Cc1cc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895083120 1024122803 /nfs/dbraw/zinc/12/28/03/1024122803.db2.gz SNPDUPAFRSYALK-WCQYABFASA-N 1 2 329.366 3.599 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000535908372 1024133673 /nfs/dbraw/zinc/13/36/73/1024133673.db2.gz NZUHXOAKOQEXBM-IPELMVKDSA-N 1 2 343.446 3.872 20 0 EHADLO CCc1cccc(F)c1C[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000474094319 1024138638 /nfs/dbraw/zinc/13/86/38/1024138638.db2.gz DDRRPNRWFFJMJW-UHFFFAOYSA-N 1 2 344.430 3.857 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000474094319 1024138647 /nfs/dbraw/zinc/13/86/47/1024138647.db2.gz DDRRPNRWFFJMJW-UHFFFAOYSA-N 1 2 344.430 3.857 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329723930 1024145904 /nfs/dbraw/zinc/14/59/04/1024145904.db2.gz BKRXQCDVWBBYKR-BZPMIXESSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329723930 1024145919 /nfs/dbraw/zinc/14/59/19/1024145919.db2.gz BKRXQCDVWBBYKR-BZPMIXESSA-N 1 2 333.457 3.749 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000514132323 1024158266 /nfs/dbraw/zinc/15/82/66/1024158266.db2.gz JPSLNNNGHGPKOB-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000514132323 1024158273 /nfs/dbraw/zinc/15/82/73/1024158273.db2.gz JPSLNNNGHGPKOB-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000434619750 1024187545 /nfs/dbraw/zinc/18/75/45/1024187545.db2.gz UKCZZPJRYQMFHV-LJQANCHMSA-N 1 2 339.418 3.631 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000434619750 1024187549 /nfs/dbraw/zinc/18/75/49/1024187549.db2.gz UKCZZPJRYQMFHV-LJQANCHMSA-N 1 2 339.418 3.631 20 0 EHADLO CC(=O)OC1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000178982779 1024210679 /nfs/dbraw/zinc/21/06/79/1024210679.db2.gz DOQRCGMEYWQHLJ-NSHDSACASA-N 1 2 337.370 3.520 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000609555789 1024239610 /nfs/dbraw/zinc/23/96/10/1024239610.db2.gz FYFMVNYWUVEJKM-CQSZACIVSA-N 1 2 330.457 3.684 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)n1 ZINC001141762283 1024268123 /nfs/dbraw/zinc/26/81/23/1024268123.db2.gz LTCLKTCYHBBCRM-LBPRGKRZSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H]2Cc2ccccn2)n1 ZINC001141762283 1024268128 /nfs/dbraw/zinc/26/81/28/1024268128.db2.gz LTCLKTCYHBBCRM-LBPRGKRZSA-N 1 2 327.375 3.764 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CCCC2CCCC2)CC[NH2+]1 ZINC000505461985 1024271072 /nfs/dbraw/zinc/27/10/72/1024271072.db2.gz VEUAIHSDJRUYIM-SFHVURJKSA-N 1 2 330.472 3.529 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434664709 1024278559 /nfs/dbraw/zinc/27/85/59/1024278559.db2.gz WIIRKIROMNSWTN-QGZVFWFLSA-N 1 2 349.446 3.841 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000505466421 1024283018 /nfs/dbraw/zinc/28/30/18/1024283018.db2.gz AGYDMAZFDMMFNT-WMZOPIPTSA-N 1 2 332.488 3.775 20 0 EHADLO Oc1cc(Br)cnc1C[NH+]1CCC(c2ccco2)CC1 ZINC000895320720 1024285813 /nfs/dbraw/zinc/28/58/13/1024285813.db2.gz PAOPQLQORCBJCD-UHFFFAOYSA-N 1 2 337.217 3.522 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000434714875 1024318070 /nfs/dbraw/zinc/31/80/70/1024318070.db2.gz UFQQPPJBEFZLLC-LSDHHAIUSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000434714875 1024318086 /nfs/dbraw/zinc/31/80/86/1024318086.db2.gz UFQQPPJBEFZLLC-LSDHHAIUSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149640 1024337459 /nfs/dbraw/zinc/33/74/59/1024337459.db2.gz WWHNVXXJFXRNKK-PXNSSMCTSA-N 1 2 347.462 3.988 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000550558481 1024351840 /nfs/dbraw/zinc/35/18/40/1024351840.db2.gz VOTQSCJMVFXSDV-WMLDXEAASA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000550558481 1024351857 /nfs/dbraw/zinc/35/18/57/1024351857.db2.gz VOTQSCJMVFXSDV-WMLDXEAASA-N 1 2 338.879 3.722 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3c2NCCC3)C[C@H](CC(F)(F)F)O1 ZINC000895353071 1024368164 /nfs/dbraw/zinc/36/81/64/1024368164.db2.gz PYKIVEMRPXZUET-WFASDCNBSA-N 1 2 328.378 3.586 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3c2NCCC3)C[C@H](CC(F)(F)F)O1 ZINC000895353071 1024368179 /nfs/dbraw/zinc/36/81/79/1024368179.db2.gz PYKIVEMRPXZUET-WFASDCNBSA-N 1 2 328.378 3.586 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000342198536 1024380429 /nfs/dbraw/zinc/38/04/29/1024380429.db2.gz GNOSTKNXZZAUPJ-LBPRGKRZSA-N 1 2 346.452 3.748 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505505944 1024389302 /nfs/dbraw/zinc/38/93/02/1024389302.db2.gz KZEXHEHUOKJKPV-RDJZCZTQSA-N 1 2 335.517 3.544 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(C)C)s2)CC[NH2+]1 ZINC000505506992 1024392686 /nfs/dbraw/zinc/39/26/86/1024392686.db2.gz PCKXNRCLQOMCIN-HNNXBMFYSA-N 1 2 344.480 3.667 20 0 EHADLO CC(C)CCOC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000194336908 1024398993 /nfs/dbraw/zinc/39/89/93/1024398993.db2.gz UZKBCSZRLPAGDB-OAHLLOKOSA-N 1 2 343.471 3.511 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425182044 1024416428 /nfs/dbraw/zinc/41/64/28/1024416428.db2.gz YVZOCLCIHRHJND-RDJZCZTQSA-N 1 2 345.512 3.922 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425193619 1024431957 /nfs/dbraw/zinc/43/19/57/1024431957.db2.gz LDQSECHSTQIRCM-FUHWJXTLSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000522394511 1024439102 /nfs/dbraw/zinc/43/91/02/1024439102.db2.gz NFEXYZNOEPDMGB-INIZCTEOSA-N 1 2 346.519 3.810 20 0 EHADLO CC[N@H+](Cc1c(F)ccc(I)c1F)C1CC1 ZINC000474155580 1024448916 /nfs/dbraw/zinc/44/89/16/1024448916.db2.gz WINOSOYREMFAGF-UHFFFAOYSA-N 1 2 337.151 3.554 20 0 EHADLO CC[N@@H+](Cc1c(F)ccc(I)c1F)C1CC1 ZINC000474155580 1024448921 /nfs/dbraw/zinc/44/89/21/1024448921.db2.gz WINOSOYREMFAGF-UHFFFAOYSA-N 1 2 337.151 3.554 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[S@]1=O ZINC000346150640 1024451487 /nfs/dbraw/zinc/45/14/87/1024451487.db2.gz ALZVNWJWQPQHDT-HSZRJFAPSA-N 1 2 349.418 3.708 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[S@]1=O ZINC000346150640 1024451493 /nfs/dbraw/zinc/45/14/93/1024451493.db2.gz ALZVNWJWQPQHDT-HSZRJFAPSA-N 1 2 349.418 3.708 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[S@@]1=O ZINC000346150638 1024451767 /nfs/dbraw/zinc/45/17/67/1024451767.db2.gz ALZVNWJWQPQHDT-QHCPKHFHSA-N 1 2 349.418 3.708 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[S@@]1=O ZINC000346150638 1024451773 /nfs/dbraw/zinc/45/17/73/1024451773.db2.gz ALZVNWJWQPQHDT-QHCPKHFHSA-N 1 2 349.418 3.708 20 0 EHADLO Cc1cc(N2CCC(c3ccc(F)cn3)CC2)nc(C2CCC2)[nH+]1 ZINC000895108287 1024454500 /nfs/dbraw/zinc/45/45/00/1024454500.db2.gz ICXHYVYXHCENOW-UHFFFAOYSA-N 1 2 326.419 3.971 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1 ZINC000505543680 1024456619 /nfs/dbraw/zinc/45/66/19/1024456619.db2.gz UTMDZGFXJQYHKU-GUWAZMKPSA-N 1 2 349.478 3.781 20 0 EHADLO FC(F)CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204738361 1024463433 /nfs/dbraw/zinc/46/34/33/1024463433.db2.gz DNAJXDBHNQDIFW-UHFFFAOYSA-N 1 2 340.801 3.983 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434893305 1024474711 /nfs/dbraw/zinc/47/47/11/1024474711.db2.gz AOQVYVAAUBKCIJ-SFHVURJKSA-N 1 2 344.817 3.795 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434893305 1024474717 /nfs/dbraw/zinc/47/47/17/1024474717.db2.gz AOQVYVAAUBKCIJ-SFHVURJKSA-N 1 2 344.817 3.795 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505124 1024476854 /nfs/dbraw/zinc/47/68/54/1024476854.db2.gz QRWRGIKMNHVPBO-KBPBESRZSA-N 1 2 329.893 3.980 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505124 1024476863 /nfs/dbraw/zinc/47/68/63/1024476863.db2.gz QRWRGIKMNHVPBO-KBPBESRZSA-N 1 2 329.893 3.980 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000459132307 1024479935 /nfs/dbraw/zinc/47/99/35/1024479935.db2.gz BUKIYCVBJMVVFT-DFBDCSAJSA-N 1 2 332.492 3.690 20 0 EHADLO Cc1cc(Br)cn2c(CN(CC(F)F)C3CC3)c[nH+]c12 ZINC000346166389 1024481167 /nfs/dbraw/zinc/48/11/67/1024481167.db2.gz IYKACHOQXQNQCE-UHFFFAOYSA-N 1 2 344.203 3.635 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425236614 1024486479 /nfs/dbraw/zinc/48/64/79/1024486479.db2.gz ONZSUHVKJNLXNR-JFIYKMOQSA-N 1 2 325.456 3.969 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000895422572 1024496953 /nfs/dbraw/zinc/49/69/53/1024496953.db2.gz KQWBXMNGATZRHZ-YHWZYXNKSA-N 1 2 331.489 3.667 20 0 EHADLO CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c1C ZINC000434906191 1024497085 /nfs/dbraw/zinc/49/70/85/1024497085.db2.gz MBKAEIDEQONCEN-UHFFFAOYSA-N 1 2 346.515 3.979 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)Cc3[nH]c[nH+]c3C)cc2)n1 ZINC000346212375 1024502516 /nfs/dbraw/zinc/50/25/16/1024502516.db2.gz DNIFTZITUKJVHR-UHFFFAOYSA-N 1 2 344.465 3.815 20 0 EHADLO CC(C)c1occc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282325654 1024535802 /nfs/dbraw/zinc/53/58/02/1024535802.db2.gz NSRPSEWXWGSCNT-OAHLLOKOSA-N 1 2 341.455 3.956 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143428445 1024564721 /nfs/dbraw/zinc/56/47/21/1024564721.db2.gz JGUZCAGCDAHNOY-IINYFYTJSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143428445 1024564728 /nfs/dbraw/zinc/56/47/28/1024564728.db2.gz JGUZCAGCDAHNOY-IINYFYTJSA-N 1 2 337.769 3.831 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000435042305 1024564797 /nfs/dbraw/zinc/56/47/97/1024564797.db2.gz LRGFVGPINHQCGH-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000435042305 1024564808 /nfs/dbraw/zinc/56/48/08/1024564808.db2.gz LRGFVGPINHQCGH-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000346254562 1024575630 /nfs/dbraw/zinc/57/56/30/1024575630.db2.gz VXZVKPBJYASMMW-URGYJCLVSA-N 1 2 343.393 3.661 20 0 EHADLO CC(C)(C)c1nc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000114466490 1024586306 /nfs/dbraw/zinc/58/63/06/1024586306.db2.gz UBVWDPWQAHAKNK-QGZVFWFLSA-N 1 2 330.497 3.922 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000114466490 1024586315 /nfs/dbraw/zinc/58/63/15/1024586315.db2.gz UBVWDPWQAHAKNK-QGZVFWFLSA-N 1 2 330.497 3.922 20 0 EHADLO c1ccc([C@@H]2[N@H+](Cc3noc4c3CCCC4)CC23CCOCC3)cc1 ZINC000665197623 1024615149 /nfs/dbraw/zinc/61/51/49/1024615149.db2.gz YLFAIZDUFODAGW-FQEVSTJZSA-N 1 2 338.451 3.907 20 0 EHADLO c1ccc([C@@H]2[N@@H+](Cc3noc4c3CCCC4)CC23CCOCC3)cc1 ZINC000665197623 1024615153 /nfs/dbraw/zinc/61/51/53/1024615153.db2.gz YLFAIZDUFODAGW-FQEVSTJZSA-N 1 2 338.451 3.907 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000665197607 1024615940 /nfs/dbraw/zinc/61/59/40/1024615940.db2.gz PHMWHFQXAVXUIJ-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000665197607 1024615948 /nfs/dbraw/zinc/61/59/48/1024615948.db2.gz PHMWHFQXAVXUIJ-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000548601445 1024633642 /nfs/dbraw/zinc/63/36/42/1024633642.db2.gz WEPIBPRHOFTHRH-GXTWGEPZSA-N 1 2 347.488 3.716 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425288538 1024654100 /nfs/dbraw/zinc/65/41/00/1024654100.db2.gz XZUNUMYUHDGDLS-ROUUACIJSA-N 1 2 325.456 3.826 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342975 1024667303 /nfs/dbraw/zinc/66/73/03/1024667303.db2.gz DYOYNYKRIUPDQE-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342975 1024667310 /nfs/dbraw/zinc/66/73/10/1024667310.db2.gz DYOYNYKRIUPDQE-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000474275556 1024668327 /nfs/dbraw/zinc/66/83/27/1024668327.db2.gz MWBLDLHXDPCECW-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000474275556 1024668331 /nfs/dbraw/zinc/66/83/31/1024668331.db2.gz MWBLDLHXDPCECW-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CC(C)Nc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cn1 ZINC000346388141 1024676089 /nfs/dbraw/zinc/67/60/89/1024676089.db2.gz NSHAEJGSXHUXQP-UHFFFAOYSA-N 1 2 346.394 3.805 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000514694646 1024677084 /nfs/dbraw/zinc/67/70/84/1024677084.db2.gz MVVNVWJWZRLRNW-QFBILLFUSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000514694646 1024677090 /nfs/dbraw/zinc/67/70/90/1024677090.db2.gz MVVNVWJWZRLRNW-QFBILLFUSA-N 1 2 342.439 3.740 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435172767 1024679853 /nfs/dbraw/zinc/67/98/53/1024679853.db2.gz YADGKBLPABTZRI-UHFFFAOYSA-N 1 2 344.463 3.516 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435172767 1024679860 /nfs/dbraw/zinc/67/98/60/1024679860.db2.gz YADGKBLPABTZRI-UHFFFAOYSA-N 1 2 344.463 3.516 20 0 EHADLO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346408417 1024697364 /nfs/dbraw/zinc/69/73/64/1024697364.db2.gz HDQMBBRYJYDQNY-IEBWSBKVSA-N 1 2 349.409 3.875 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346401541 1024717900 /nfs/dbraw/zinc/71/79/00/1024717900.db2.gz HTQVMAVTCDYZOL-IBGZPJMESA-N 1 2 348.406 3.558 20 0 EHADLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCOCC2)cc1 ZINC000435234750 1024718837 /nfs/dbraw/zinc/71/88/37/1024718837.db2.gz ALNKXDDVTCIHKZ-UHFFFAOYSA-N 1 2 347.462 3.739 20 0 EHADLO CCSCc1ccc[nH+]c1NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000895687474 1024720738 /nfs/dbraw/zinc/72/07/38/1024720738.db2.gz ALTUQFOGWIQEEI-UHFFFAOYSA-N 1 2 337.489 3.614 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)c1cncs1 ZINC000897931217 1033230914 /nfs/dbraw/zinc/23/09/14/1033230914.db2.gz XGYPXZUFYOEHNJ-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1c(C)nc2sc(C)nn12 ZINC000895688293 1024722395 /nfs/dbraw/zinc/72/23/95/1024722395.db2.gz LERPXTJSUVDUAS-UHFFFAOYSA-N 1 2 333.486 3.668 20 0 EHADLO CC(C)[C@@H]1N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425313354 1024731723 /nfs/dbraw/zinc/73/17/23/1024731723.db2.gz LMPOCWIECWPRKD-AEFFLSMTSA-N 1 2 325.456 3.825 20 0 EHADLO Cc1ccc(F)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474318020 1024739519 /nfs/dbraw/zinc/73/95/19/1024739519.db2.gz FRDONSICEHQQFN-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(F)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474318020 1024739528 /nfs/dbraw/zinc/73/95/28/1024739528.db2.gz FRDONSICEHQQFN-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705344 1024744845 /nfs/dbraw/zinc/74/48/45/1024744845.db2.gz QRMGHRQCLRWEBO-PKOBYXMFSA-N 1 2 343.515 3.893 20 0 EHADLO CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC1(C)C ZINC000425326784 1024755125 /nfs/dbraw/zinc/75/51/25/1024755125.db2.gz LZTALHJIENBVFC-BBWFWOEESA-N 1 2 325.456 3.873 20 0 EHADLO CC(C)(CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC1 ZINC000425319858 1024757571 /nfs/dbraw/zinc/75/75/71/1024757571.db2.gz WPKCKFSFAVWBAZ-KRWDZBQOSA-N 1 2 325.456 3.874 20 0 EHADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc(C)c(Br)s1 ZINC000514805156 1024759728 /nfs/dbraw/zinc/75/97/28/1024759728.db2.gz MYVBJFCQYKKOPR-UHFFFAOYSA-N 1 2 334.279 3.593 20 0 EHADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(C)c(Br)s1 ZINC000514805156 1024759739 /nfs/dbraw/zinc/75/97/39/1024759739.db2.gz MYVBJFCQYKKOPR-UHFFFAOYSA-N 1 2 334.279 3.593 20 0 EHADLO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC(F)(F)c1ccccc1 ZINC000514821228 1024766950 /nfs/dbraw/zinc/76/69/50/1024766950.db2.gz UURCPRNSNMNBFP-MRXNPFEDSA-N 1 2 346.421 3.506 20 0 EHADLO Cc1cc2occ(CC(=O)N[C@H](C)Cn3cc[nH+]c3)c2cc1C(C)C ZINC000042534808 1024780824 /nfs/dbraw/zinc/78/08/24/1024780824.db2.gz XMWXRLAOKUWHSS-OAHLLOKOSA-N 1 2 339.439 3.809 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H](c3cnn(C)c3)C(C)(C)C)o2)c(C)o1 ZINC000342303057 1024788969 /nfs/dbraw/zinc/78/89/69/1024788969.db2.gz OZQPWOFRRCMLCL-MRXNPFEDSA-N 1 2 343.431 3.557 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@@H](C)c3c(F)cccc3Cl)cc(=O)n12 ZINC000342307539 1024792721 /nfs/dbraw/zinc/79/27/21/1024792721.db2.gz SCSDITYJSQUQKJ-LBPRGKRZSA-N 1 2 345.805 3.646 20 0 EHADLO O=C(c1ccsc1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333354 1024800270 /nfs/dbraw/zinc/80/02/70/1024800270.db2.gz PEAHKRQREDXYQV-UHFFFAOYSA-N 1 2 345.855 3.941 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000346490924 1024800401 /nfs/dbraw/zinc/80/04/01/1024800401.db2.gz KTZHGOBNEXSLDV-WFASDCNBSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346490924 1024800414 /nfs/dbraw/zinc/80/04/14/1024800414.db2.gz KTZHGOBNEXSLDV-WFASDCNBSA-N 1 2 346.254 3.708 20 0 EHADLO COC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000346522006 1024825381 /nfs/dbraw/zinc/82/53/81/1024825381.db2.gz JZKOHVULCOEUNJ-HUUCEWRRSA-N 1 2 343.345 3.699 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@@H](C)Cc2cnn(C)c2)C(F)F)c1 ZINC000514873773 1024832074 /nfs/dbraw/zinc/83/20/74/1024832074.db2.gz WUUCUMUJMOIUIC-SUMWQHHRSA-N 1 2 337.414 3.734 20 0 EHADLO CCOC(=O)C1(C)CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000474376821 1024851524 /nfs/dbraw/zinc/85/15/24/1024851524.db2.gz PPFICHOPKAVSDN-UHFFFAOYSA-N 1 2 345.418 3.935 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000548626353 1024862255 /nfs/dbraw/zinc/86/22/55/1024862255.db2.gz INHOXCICCOGUHZ-OAHLLOKOSA-N 1 2 328.437 3.843 20 0 EHADLO COCc1csc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)c1 ZINC000657305694 1024880669 /nfs/dbraw/zinc/88/06/69/1024880669.db2.gz RJJVVNWMGXZEPV-QGZVFWFLSA-N 1 2 327.453 3.507 20 0 EHADLO c1[nH+]cn2ccnc(N3CCC[C@@H](c4cc(-c5ccccc5)n[nH]4)C3)c12 ZINC000895137525 1024899949 /nfs/dbraw/zinc/89/99/49/1024899949.db2.gz HXGCCWYLANKITG-MRXNPFEDSA-N 1 2 344.422 3.503 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427988414 1024924029 /nfs/dbraw/zinc/92/40/29/1024924029.db2.gz DBBZCFFJTXJSFI-KRWDZBQOSA-N 1 2 339.483 3.589 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000071954391 1024924236 /nfs/dbraw/zinc/92/42/36/1024924236.db2.gz JIVUOZNYSDOGKU-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000071954391 1024924245 /nfs/dbraw/zinc/92/42/45/1024924245.db2.gz JIVUOZNYSDOGKU-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515010894 1024967932 /nfs/dbraw/zinc/96/79/32/1024967932.db2.gz AEABHNOFKAWRSJ-VUHPKUFZSA-N 1 2 342.483 3.837 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 ZINC000761051726 1033249300 /nfs/dbraw/zinc/24/93/00/1033249300.db2.gz NPFTYJPQTSIJAF-JTQLQIEISA-N 1 2 340.267 3.528 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 ZINC000761051726 1033249309 /nfs/dbraw/zinc/24/93/09/1033249309.db2.gz NPFTYJPQTSIJAF-JTQLQIEISA-N 1 2 340.267 3.528 20 0 EHADLO C[C@H](CCCc1cccnc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000840328605 1024973834 /nfs/dbraw/zinc/97/38/34/1024973834.db2.gz PGMGKHPGJRUUJD-CQSZACIVSA-N 1 2 338.459 3.800 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)[NH+]1CCCCC1 ZINC000474446176 1024982824 /nfs/dbraw/zinc/98/28/24/1024982824.db2.gz NZWKPXHXVPFAGF-CQSZACIVSA-N 1 2 328.815 3.634 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)c1C ZINC000515063130 1024993500 /nfs/dbraw/zinc/99/35/00/1024993500.db2.gz IICOXXGVKQOHQT-PXNSSMCTSA-N 1 2 337.467 3.816 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000897942063 1033253907 /nfs/dbraw/zinc/25/39/07/1033253907.db2.gz KPNCDWCLDYDNAE-AWEZNQCLSA-N 1 2 332.444 3.676 20 0 EHADLO CSc1cccc(F)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000281413903 1025030700 /nfs/dbraw/zinc/03/07/00/1025030700.db2.gz YMVTXAUNDCZUQY-UHFFFAOYSA-N 1 2 333.432 3.565 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)cc1OC ZINC000346683067 1025033134 /nfs/dbraw/zinc/03/31/34/1025033134.db2.gz DWSZYFKVHLFXDY-UHFFFAOYSA-N 1 2 342.395 3.974 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)cc1OC ZINC000346683067 1025033144 /nfs/dbraw/zinc/03/31/44/1025033144.db2.gz DWSZYFKVHLFXDY-UHFFFAOYSA-N 1 2 342.395 3.974 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1F ZINC000120076640 1033255849 /nfs/dbraw/zinc/25/58/49/1033255849.db2.gz LRYBLFKNFXNHMX-JKSUJKDBSA-N 1 2 343.446 3.534 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(OC3CCCC3)cc2)c[nH+]1 ZINC000896036991 1025100998 /nfs/dbraw/zinc/10/09/98/1025100998.db2.gz OUWYRCKZDPNLIU-UHFFFAOYSA-N 1 2 341.455 3.564 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H](OC(C)C)c2ccccc2)n1 ZINC000428236807 1025102394 /nfs/dbraw/zinc/10/23/94/1025102394.db2.gz HEZRLAWFBLWEPR-RDJZCZTQSA-N 1 2 347.459 3.765 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](OC(C)C)c2ccccc2)n1 ZINC000428236807 1025102404 /nfs/dbraw/zinc/10/24/04/1025102404.db2.gz HEZRLAWFBLWEPR-RDJZCZTQSA-N 1 2 347.459 3.765 20 0 EHADLO Cc1nc2sn(C[N@H+]3CCC[C@H](C(C)C)C3)c(=O)c2c(C)c1C ZINC000780499415 1025127743 /nfs/dbraw/zinc/12/77/43/1025127743.db2.gz TXODGJSXQARANZ-HNNXBMFYSA-N 1 2 333.501 3.709 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CCC[C@H](C(C)C)C3)c(=O)c2c(C)c1C ZINC000780499415 1025127746 /nfs/dbraw/zinc/12/77/46/1025127746.db2.gz TXODGJSXQARANZ-HNNXBMFYSA-N 1 2 333.501 3.709 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CCC[C@H](F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582059499 1025135576 /nfs/dbraw/zinc/13/55/76/1025135576.db2.gz PMQDKLLZMTWINU-BPUTZDHNSA-N 1 2 330.407 3.513 20 0 EHADLO Cc1cc(NC(=O)CCCc2ccc(Br)s2)cc[nH+]1 ZINC000346815493 1025143575 /nfs/dbraw/zinc/14/35/75/1025143575.db2.gz KJXXYCXVNGVDQI-UHFFFAOYSA-N 1 2 339.258 3.597 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000896151116 1025188368 /nfs/dbraw/zinc/18/83/68/1025188368.db2.gz CHKJZFFTSFLZAU-HXUWFJFHSA-N 1 2 337.467 3.947 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000444045469 1025207903 /nfs/dbraw/zinc/20/79/03/1025207903.db2.gz LGHKPKMMZWUBNE-MGPQQGTHSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000444045469 1025207917 /nfs/dbraw/zinc/20/79/17/1025207917.db2.gz LGHKPKMMZWUBNE-MGPQQGTHSA-N 1 2 336.505 3.685 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000431350908 1025222353 /nfs/dbraw/zinc/22/23/53/1025222353.db2.gz PSQATCRTWQLPDB-SFHVURJKSA-N 1 2 333.391 3.549 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000281560458 1025230842 /nfs/dbraw/zinc/23/08/42/1025230842.db2.gz LDXBDXMCJHNUPC-XUVXKRRUSA-N 1 2 337.467 3.538 20 0 EHADLO Oc1cccc(/C=C\c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000435951903 1025235643 /nfs/dbraw/zinc/23/56/43/1025235643.db2.gz JCWBZNMSLQIVPJ-FPLPWBNLSA-N 1 2 344.374 3.857 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896224638 1025245515 /nfs/dbraw/zinc/24/55/15/1025245515.db2.gz LQYSQMXYJWDEEB-LLVKDONJSA-N 1 2 340.411 3.873 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896224638 1025245524 /nfs/dbraw/zinc/24/55/24/1025245524.db2.gz LQYSQMXYJWDEEB-LLVKDONJSA-N 1 2 340.411 3.873 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1Br ZINC000353879986 1025246593 /nfs/dbraw/zinc/24/65/93/1025246593.db2.gz PDGSENLYBNCMGX-XHDPSFHLSA-N 1 2 334.261 3.985 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)NC1CCCC1 ZINC000521193550 1025254648 /nfs/dbraw/zinc/25/46/48/1025254648.db2.gz IIVYODATLQBALY-UHFFFAOYSA-N 1 2 340.442 3.887 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)NC1CCCC1 ZINC000521193550 1025254655 /nfs/dbraw/zinc/25/46/55/1025254655.db2.gz IIVYODATLQBALY-UHFFFAOYSA-N 1 2 340.442 3.887 20 0 EHADLO C[C@@H](Cc1cccs1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342410455 1025257568 /nfs/dbraw/zinc/25/75/68/1025257568.db2.gz SEGAALNKOBSFNN-WMLDXEAASA-N 1 2 339.464 3.741 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000281585350 1025264963 /nfs/dbraw/zinc/26/49/63/1025264963.db2.gz DPBJNGZQBRSBEA-BBRMVZONSA-N 1 2 329.444 3.970 20 0 EHADLO Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c(F)c1 ZINC000474655181 1025288375 /nfs/dbraw/zinc/28/83/75/1025288375.db2.gz LNJXOHKVWFEAPF-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c(F)c1 ZINC000474655181 1025288385 /nfs/dbraw/zinc/28/83/85/1025288385.db2.gz LNJXOHKVWFEAPF-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000607735327 1033273889 /nfs/dbraw/zinc/27/38/89/1033273889.db2.gz HEPXOVHOKZZBAV-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000607735327 1033273900 /nfs/dbraw/zinc/27/39/00/1033273900.db2.gz HEPXOVHOKZZBAV-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(n1)CCCC2 ZINC000442444397 1025322737 /nfs/dbraw/zinc/32/27/37/1025322737.db2.gz PAEUZIRYAQPNKD-UHFFFAOYSA-N 1 2 336.370 3.538 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC12CCCC2 ZINC000474699089 1025359149 /nfs/dbraw/zinc/35/91/49/1025359149.db2.gz UVWMKJDYBDTOIK-HOCLYGCPSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC12CCCC2 ZINC000474699089 1025359164 /nfs/dbraw/zinc/35/91/64/1025359164.db2.gz UVWMKJDYBDTOIK-HOCLYGCPSA-N 1 2 348.437 3.626 20 0 EHADLO COCCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277491083 1025389484 /nfs/dbraw/zinc/38/94/84/1025389484.db2.gz CQCKJPXYCOEQRY-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO CCCc1cc(=O)[nH]c(SCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000436118241 1025389885 /nfs/dbraw/zinc/38/98/85/1025389885.db2.gz MHXARVIAVMEDGV-UHFFFAOYSA-N 1 2 340.452 3.672 20 0 EHADLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccnc1Cl ZINC000007446631 1025408979 /nfs/dbraw/zinc/40/89/79/1025408979.db2.gz MNSLCRNAVGRUKH-UHFFFAOYSA-N 1 2 343.858 3.628 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC2(CCSCC2)CC1 ZINC000602952412 1033276720 /nfs/dbraw/zinc/27/67/20/1033276720.db2.gz UTWPIRUWHGDXDV-CQSZACIVSA-N 1 2 325.499 3.571 20 0 EHADLO C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000521490241 1025417948 /nfs/dbraw/zinc/41/79/48/1025417948.db2.gz OJGFNOKEJTWZKU-SJORKVTESA-N 1 2 344.499 3.573 20 0 EHADLO OC[C@@]1([NH2+]Cc2ncc(-c3ccccc3)o2)CCCc2ccccc21 ZINC000281734213 1025433677 /nfs/dbraw/zinc/43/36/77/1025433677.db2.gz PYVIDRGMYCSZCJ-NRFANRHFSA-N 1 2 334.419 3.655 20 0 EHADLO FC(F)(F)[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCS1 ZINC000896454853 1025445811 /nfs/dbraw/zinc/44/58/11/1025445811.db2.gz ALMJPSYINNORPK-NSHDSACASA-N 1 2 333.404 3.618 20 0 EHADLO FC(F)(F)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCS1 ZINC000896454853 1025445821 /nfs/dbraw/zinc/44/58/21/1025445821.db2.gz ALMJPSYINNORPK-NSHDSACASA-N 1 2 333.404 3.618 20 0 EHADLO Cn1ncc2ccc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)cc21 ZINC000521521313 1025451308 /nfs/dbraw/zinc/45/13/08/1025451308.db2.gz UAFFYCPETQWXSQ-KRWDZBQOSA-N 1 2 329.394 3.929 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000281762585 1025451713 /nfs/dbraw/zinc/45/17/13/1025451713.db2.gz WLKDTQVNHXZUEV-MEBBXXQBSA-N 1 2 336.432 3.775 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c(C)[nH]1 ZINC000347063092 1025476565 /nfs/dbraw/zinc/47/65/65/1025476565.db2.gz IMYWHIZAYGHCST-UHFFFAOYSA-N 1 2 340.345 3.845 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c(C)[nH]1 ZINC000347063092 1025476568 /nfs/dbraw/zinc/47/65/68/1025476568.db2.gz IMYWHIZAYGHCST-UHFFFAOYSA-N 1 2 340.345 3.845 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(F)cn2)no1)c1cccc(Cl)c1 ZINC000347065867 1025478143 /nfs/dbraw/zinc/47/81/43/1025478143.db2.gz HZTQPZDREKOSPX-AWEZNQCLSA-N 1 2 332.766 3.575 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)[nH]n1 ZINC000442803689 1025498819 /nfs/dbraw/zinc/49/88/19/1025498819.db2.gz ULJNSWZMSKBICK-HNNXBMFYSA-N 1 2 339.361 3.610 20 0 EHADLO FC(F)(F)c1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)[nH]n1 ZINC000442803689 1025498827 /nfs/dbraw/zinc/49/88/27/1025498827.db2.gz ULJNSWZMSKBICK-HNNXBMFYSA-N 1 2 339.361 3.610 20 0 EHADLO CC(C)(c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)c1ccccc1 ZINC000347102756 1025528399 /nfs/dbraw/zinc/52/83/99/1025528399.db2.gz IDDGCASYQOZNLY-UHFFFAOYSA-N 1 2 331.379 3.643 20 0 EHADLO COC[C@H](NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000657365125 1025535646 /nfs/dbraw/zinc/53/56/46/1025535646.db2.gz WRSNIOMBKIEARY-AWEZNQCLSA-N 1 2 327.350 3.523 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(C)c(C)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000657365125 1025535658 /nfs/dbraw/zinc/53/56/58/1025535658.db2.gz WRSNIOMBKIEARY-AWEZNQCLSA-N 1 2 327.350 3.523 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F ZINC000515736231 1025545766 /nfs/dbraw/zinc/54/57/66/1025545766.db2.gz WRIVEWBLMYQWFH-UWVGGRQHSA-N 1 2 340.320 3.921 20 0 EHADLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884915 1025565074 /nfs/dbraw/zinc/56/50/74/1025565074.db2.gz ZTYZAHDCVMWCPY-FOIQADDNSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884915 1025565086 /nfs/dbraw/zinc/56/50/86/1025565086.db2.gz ZTYZAHDCVMWCPY-FOIQADDNSA-N 1 2 326.440 3.668 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC[C@H](C(C)C)C1)C2 ZINC000530281923 1025591957 /nfs/dbraw/zinc/59/19/57/1025591957.db2.gz NBUIDGTXEYMTBH-ARFHVFGLSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[C@H](C(C)C)C1)CC2 ZINC000530281923 1025591968 /nfs/dbraw/zinc/59/19/68/1025591968.db2.gz NBUIDGTXEYMTBH-ARFHVFGLSA-N 1 2 331.504 3.969 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000451179342 1025643395 /nfs/dbraw/zinc/64/33/95/1025643395.db2.gz DGXOZVGVFAOARB-RXVVDRJESA-N 1 2 339.483 3.662 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]1 ZINC000436399756 1025677693 /nfs/dbraw/zinc/67/76/93/1025677693.db2.gz FUPGBXFHDYEHQK-QMMMGPOBSA-N 1 2 332.757 3.890 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000451227514 1025701090 /nfs/dbraw/zinc/70/10/90/1025701090.db2.gz FEZVKHVFNOZIGK-CYBMUJFWSA-N 1 2 337.341 3.898 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000515904605 1025731611 /nfs/dbraw/zinc/73/16/11/1025731611.db2.gz JHYQUBHBORTXEX-QGZVFWFLSA-N 1 2 344.434 3.719 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451269954 1025738769 /nfs/dbraw/zinc/73/87/69/1025738769.db2.gz UAKACLIGGUTPFN-ZXYWRSMDSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451269954 1025738784 /nfs/dbraw/zinc/73/87/84/1025738784.db2.gz UAKACLIGGUTPFN-ZXYWRSMDSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347260164 1025753723 /nfs/dbraw/zinc/75/37/23/1025753723.db2.gz DMADMVOQTDKZAC-AWEZNQCLSA-N 1 2 329.469 3.544 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521879321 1025755764 /nfs/dbraw/zinc/75/57/64/1025755764.db2.gz ZJSKUHQKDRGYNH-QRQLOZEOSA-N 1 2 346.540 3.719 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348293218 1025771151 /nfs/dbraw/zinc/77/11/51/1025771151.db2.gz OLBMGRQLKWIXJJ-MHECFPHRSA-N 1 2 340.448 3.551 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCS1 ZINC000425569063 1025780354 /nfs/dbraw/zinc/78/03/54/1025780354.db2.gz KEFYONPWJKJUTB-INIZCTEOSA-N 1 2 327.453 3.721 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CC[C@@H](C)C4)n2)C1 ZINC000329398931 1025809331 /nfs/dbraw/zinc/80/93/31/1025809331.db2.gz XEEBKFVBITWBTL-TZMCWYRMSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CC[C@@H](C)C4)n2)C1 ZINC000329398931 1025809353 /nfs/dbraw/zinc/80/93/53/1025809353.db2.gz XEEBKFVBITWBTL-TZMCWYRMSA-N 1 2 347.484 3.705 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329402830 1025812003 /nfs/dbraw/zinc/81/20/03/1025812003.db2.gz BXIDZNIPKAJCIJ-AWRGBYNESA-N 1 2 340.471 3.541 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329402830 1025812019 /nfs/dbraw/zinc/81/20/19/1025812019.db2.gz BXIDZNIPKAJCIJ-AWRGBYNESA-N 1 2 340.471 3.541 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000121825542 1025897825 /nfs/dbraw/zinc/89/78/25/1025897825.db2.gz UKLBKZRPHQISTA-KOSHJBKYSA-N 1 2 340.448 3.551 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(F)cc1Br ZINC001141910152 1025933613 /nfs/dbraw/zinc/93/36/13/1025933613.db2.gz KHHBJYXIIVYOHL-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(F)cc1Br ZINC001141910152 1025933624 /nfs/dbraw/zinc/93/36/24/1025933624.db2.gz KHHBJYXIIVYOHL-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1Cl ZINC000110113709 1025941951 /nfs/dbraw/zinc/94/19/51/1025941951.db2.gz DCTGHABIUMWEGF-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000110113709 1025941966 /nfs/dbraw/zinc/94/19/66/1025941966.db2.gz DCTGHABIUMWEGF-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CC1(CCC1)O2 ZINC000896746837 1025951601 /nfs/dbraw/zinc/95/16/01/1025951601.db2.gz NAVLQNDAMRWWLE-AWEZNQCLSA-N 1 2 349.228 3.973 20 0 EHADLO CC(C)c1nc([C@H]2CCCC[N@@H+]2CCCCC2(C)OCCO2)no1 ZINC001167567055 1025981632 /nfs/dbraw/zinc/98/16/32/1025981632.db2.gz AIJJAJDMEVNUHN-OAHLLOKOSA-N 1 2 337.464 3.653 20 0 EHADLO CC(C)c1nc([C@H]2CCCC[N@H+]2CCCCC2(C)OCCO2)no1 ZINC001167567055 1025981643 /nfs/dbraw/zinc/98/16/43/1025981643.db2.gz AIJJAJDMEVNUHN-OAHLLOKOSA-N 1 2 337.464 3.653 20 0 EHADLO CCc1cccnc1-c1noc([C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000582370285 1025999467 /nfs/dbraw/zinc/99/94/67/1025999467.db2.gz LSSIWWKRYDYAAB-INIZCTEOSA-N 1 2 342.830 3.998 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CCO1 ZINC000546028759 1026008131 /nfs/dbraw/zinc/00/81/31/1026008131.db2.gz BYLWEYYBSQUQBT-MRXNPFEDSA-N 1 2 333.403 3.712 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CCO1 ZINC000546028759 1026008152 /nfs/dbraw/zinc/00/81/52/1026008152.db2.gz BYLWEYYBSQUQBT-MRXNPFEDSA-N 1 2 333.403 3.712 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCc3ccccn3)c12 ZINC000443412714 1026010086 /nfs/dbraw/zinc/01/00/86/1026010086.db2.gz KAAOMPZIKPWTFC-UHFFFAOYSA-N 1 2 332.176 3.565 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)[nH+]c1C ZINC000896919268 1026015991 /nfs/dbraw/zinc/01/59/91/1026015991.db2.gz LSTHHUPHHSKPGP-CYBMUJFWSA-N 1 2 328.460 3.721 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000443439208 1026042466 /nfs/dbraw/zinc/04/24/66/1026042466.db2.gz GSSJYUDDTVTWCO-XOBRGWDASA-N 1 2 329.252 3.663 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000511108551 1026046086 /nfs/dbraw/zinc/04/60/86/1026046086.db2.gz ICLCJHZQDWQUMS-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000511108551 1026046098 /nfs/dbraw/zinc/04/60/98/1026046098.db2.gz ICLCJHZQDWQUMS-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000024049825 1026060483 /nfs/dbraw/zinc/06/04/83/1026060483.db2.gz ICSYHNTVBAUGAI-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000895185342 1026063873 /nfs/dbraw/zinc/06/38/73/1026063873.db2.gz ZFGPMMWUFXYLNP-SJLPKXTDSA-N 1 2 331.456 3.590 20 0 EHADLO Cc1cccc([C@H](Nc2cc(NC3CC3)[nH+]cn2)c2ccccn2)c1 ZINC000516161036 1026071155 /nfs/dbraw/zinc/07/11/55/1026071155.db2.gz CQEXUHJMWGVQOM-FQEVSTJZSA-N 1 2 331.423 3.956 20 0 EHADLO Cc1cccc([C@H](Nc2cc(NC3CC3)nc[nH+]2)c2ccccn2)c1 ZINC000516161036 1026071170 /nfs/dbraw/zinc/07/11/70/1026071170.db2.gz CQEXUHJMWGVQOM-FQEVSTJZSA-N 1 2 331.423 3.956 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896927708 1026073434 /nfs/dbraw/zinc/07/34/34/1026073434.db2.gz NNURDVLRZRYFKG-UHFFFAOYSA-N 1 2 326.227 3.582 20 0 EHADLO C[C@@H](CC(F)(F)F)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820474 1026082726 /nfs/dbraw/zinc/08/27/26/1026082726.db2.gz HSBVSHKOHRMQOJ-NSHDSACASA-N 1 2 336.317 3.902 20 0 EHADLO CSc1nc(C(F)F)cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC000895194387 1026092934 /nfs/dbraw/zinc/09/29/34/1026092934.db2.gz CLQZSKFBMPOKFS-NSHDSACASA-N 1 2 339.415 3.818 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2ncnc3cc(Cl)ccc32)[nH+]c1C ZINC000895193516 1026094318 /nfs/dbraw/zinc/09/43/18/1026094318.db2.gz PZHBUNXETWDYTO-HNNXBMFYSA-N 1 2 327.819 3.965 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2ncnc3sc(C)c(C)c32)[nH+]c1C ZINC000895193199 1026095821 /nfs/dbraw/zinc/09/58/21/1026095821.db2.gz MWGMRUOXNFSWRI-CYBMUJFWSA-N 1 2 327.457 3.990 20 0 EHADLO CCN(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103618605 1026103509 /nfs/dbraw/zinc/10/35/09/1026103509.db2.gz VTKAXSLSUSTYJI-UHFFFAOYSA-N 1 2 348.450 3.760 20 0 EHADLO FC1(F)CC[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896822052 1026107890 /nfs/dbraw/zinc/10/78/90/1026107890.db2.gz ZBENULKUZLUHMX-CYBMUJFWSA-N 1 2 330.338 3.749 20 0 EHADLO CC[C@H](C)[C@@H](OC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822051 1026108180 /nfs/dbraw/zinc/10/81/80/1026108180.db2.gz ZABFPQATJLEYTK-SUMWQHHRSA-N 1 2 326.400 3.580 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cccc3[nH]ccc32)c1)[NH+]1CCOCC1 ZINC000530623059 1026145378 /nfs/dbraw/zinc/14/53/78/1026145378.db2.gz CCWBMYDWRVFDMF-OAHLLOKOSA-N 1 2 349.434 3.813 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1OC(F)F ZINC000648077387 1026177582 /nfs/dbraw/zinc/17/75/82/1026177582.db2.gz NZPRBOUDWGNAGR-CYBMUJFWSA-N 1 2 341.398 3.830 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1OC(F)F ZINC000648077387 1026177589 /nfs/dbraw/zinc/17/75/89/1026177589.db2.gz NZPRBOUDWGNAGR-CYBMUJFWSA-N 1 2 341.398 3.830 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000896982633 1026204653 /nfs/dbraw/zinc/20/46/53/1026204653.db2.gz UOAMSHQYGGMPRZ-MJGOQNOKSA-N 1 2 325.456 3.706 20 0 EHADLO CCOC1CC2(C[C@@H]2c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000866908368 1026242628 /nfs/dbraw/zinc/24/26/28/1026242628.db2.gz DWPIQPVDSHLVMC-KOHRHEQBSA-N 1 2 336.395 3.595 20 0 EHADLO CCCC[N@H+](CC(=O)OCC)Cc1c(C)onc1-c1ccccc1 ZINC001141992492 1026288893 /nfs/dbraw/zinc/28/88/93/1026288893.db2.gz RMGCTNKOYZQYST-UHFFFAOYSA-N 1 2 330.428 3.815 20 0 EHADLO CCCC[N@@H+](CC(=O)OCC)Cc1c(C)onc1-c1ccccc1 ZINC001141992492 1026288910 /nfs/dbraw/zinc/28/89/10/1026288910.db2.gz RMGCTNKOYZQYST-UHFFFAOYSA-N 1 2 330.428 3.815 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451794811 1026300268 /nfs/dbraw/zinc/30/02/68/1026300268.db2.gz DSVAJIWEEOFATD-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451794811 1026300282 /nfs/dbraw/zinc/30/02/82/1026300282.db2.gz DSVAJIWEEOFATD-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO COc1cccc(-c2cc(CNc3cc(C)[nH+]c(C4CC4)n3)on2)c1 ZINC000897083668 1026301806 /nfs/dbraw/zinc/30/18/06/1026301806.db2.gz BKUYKKFFWSCATR-UHFFFAOYSA-N 1 2 336.395 3.938 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000277612928 1026315418 /nfs/dbraw/zinc/31/54/18/1026315418.db2.gz WNNHWHWFJDMYJY-ZAMGYDSWSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000277612928 1026315433 /nfs/dbraw/zinc/31/54/33/1026315433.db2.gz WNNHWHWFJDMYJY-ZAMGYDSWSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+](CCCCO)C3CC3)cs2)cc1 ZINC000152543465 1026326000 /nfs/dbraw/zinc/32/60/00/1026326000.db2.gz WCBMESRMGBWLNG-UHFFFAOYSA-N 1 2 346.496 3.767 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+](CCCCO)C3CC3)cs2)cc1 ZINC000152543465 1026326011 /nfs/dbraw/zinc/32/60/11/1026326011.db2.gz WCBMESRMGBWLNG-UHFFFAOYSA-N 1 2 346.496 3.767 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2c(F)ccc(Br)c2F)cn1 ZINC000451889676 1026355358 /nfs/dbraw/zinc/35/53/58/1026355358.db2.gz MRHMSHXBRULJQE-SECBINFHSA-N 1 2 344.203 3.795 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)[nH+]c12 ZINC000530890920 1026379798 /nfs/dbraw/zinc/37/97/98/1026379798.db2.gz YKLUZTNAPDRPNG-CVEARBPZSA-N 1 2 327.472 3.906 20 0 EHADLO CC(C)(C)n1ncnc1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451961518 1026398521 /nfs/dbraw/zinc/39/85/21/1026398521.db2.gz STPKAXQGZVQLRA-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO COc1ccccc1C[N@H+](CCn1ccnc1C)Cc1cccs1 ZINC000342595311 1026418346 /nfs/dbraw/zinc/41/83/46/1026418346.db2.gz ZHTPYJWZVLSDRO-UHFFFAOYSA-N 1 2 341.480 3.964 20 0 EHADLO COc1ccccc1C[N@@H+](CCn1ccnc1C)Cc1cccs1 ZINC000342595311 1026418351 /nfs/dbraw/zinc/41/83/51/1026418351.db2.gz ZHTPYJWZVLSDRO-UHFFFAOYSA-N 1 2 341.480 3.964 20 0 EHADLO CCC1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCC1 ZINC000530979923 1026452388 /nfs/dbraw/zinc/45/23/88/1026452388.db2.gz KIQJMQXBSVJGEZ-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO CCC1(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCC1 ZINC000530979923 1026452395 /nfs/dbraw/zinc/45/23/95/1026452395.db2.gz KIQJMQXBSVJGEZ-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044267 1026453669 /nfs/dbraw/zinc/45/36/69/1026453669.db2.gz INNLZBYSMFCDNH-APLFDDQLSA-N 1 2 336.277 3.668 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044267 1026453679 /nfs/dbraw/zinc/45/36/79/1026453679.db2.gz INNLZBYSMFCDNH-APLFDDQLSA-N 1 2 336.277 3.668 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(s1)CCC2 ZINC000277658020 1026466317 /nfs/dbraw/zinc/46/63/17/1026466317.db2.gz VDSOMWSHKXBZAX-UHFFFAOYSA-N 1 2 331.485 3.548 20 0 EHADLO C[C@H](NC(=O)c1ccc(C2CC2)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000531030061 1026500952 /nfs/dbraw/zinc/50/09/52/1026500952.db2.gz IJXKCCPSTUCWGT-AWEZNQCLSA-N 1 2 332.407 3.636 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 ZINC000024886504 1026510802 /nfs/dbraw/zinc/51/08/02/1026510802.db2.gz BGEUWUVODJVNPG-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 ZINC000024886504 1026510811 /nfs/dbraw/zinc/51/08/11/1026510811.db2.gz BGEUWUVODJVNPG-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887769 1026512506 /nfs/dbraw/zinc/51/25/06/1026512506.db2.gz LZWKIHQANRZCCL-ZDUSSCGKSA-N 1 2 345.468 3.636 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887769 1026512512 /nfs/dbraw/zinc/51/25/12/1026512512.db2.gz LZWKIHQANRZCCL-ZDUSSCGKSA-N 1 2 345.468 3.636 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)Cc1ccoc1 ZINC000342630380 1026513942 /nfs/dbraw/zinc/51/39/42/1026513942.db2.gz JEJZDKKXTXHEDS-JKSUJKDBSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+](C)Cc1ccoc1 ZINC000342630380 1026513948 /nfs/dbraw/zinc/51/39/48/1026513948.db2.gz JEJZDKKXTXHEDS-JKSUJKDBSA-N 1 2 340.467 3.856 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000657451995 1026515330 /nfs/dbraw/zinc/51/53/30/1026515330.db2.gz DOBGDPLGSAVEEH-UHFFFAOYSA-N 1 2 327.325 3.534 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637386 1026533635 /nfs/dbraw/zinc/53/36/35/1026533635.db2.gz SMBSCTZRRUNYHM-KBPBESRZSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637386 1026533641 /nfs/dbraw/zinc/53/36/41/1026533641.db2.gz SMBSCTZRRUNYHM-KBPBESRZSA-N 1 2 326.396 3.724 20 0 EHADLO CCc1cc(Br)ccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582550152 1026545597 /nfs/dbraw/zinc/54/55/97/1026545597.db2.gz NXSIJFJADFYAJU-NSHDSACASA-N 1 2 336.233 3.798 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(F)c1 ZINC000167915839 1026565461 /nfs/dbraw/zinc/56/54/61/1026565461.db2.gz QLDUYAYOKCVPBM-MLGOLLRUSA-N 1 2 332.423 3.735 20 0 EHADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccoc1 ZINC000342652512 1026586325 /nfs/dbraw/zinc/58/63/25/1026586325.db2.gz ZTXSAIXWACMQNN-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccoc1 ZINC000342652512 1026586333 /nfs/dbraw/zinc/58/63/33/1026586333.db2.gz ZTXSAIXWACMQNN-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000452333008 1026666659 /nfs/dbraw/zinc/66/66/59/1026666659.db2.gz OTJFQCVVAZMLQL-KRWDZBQOSA-N 1 2 339.483 3.648 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000452333008 1026666665 /nfs/dbraw/zinc/66/66/65/1026666665.db2.gz OTJFQCVVAZMLQL-KRWDZBQOSA-N 1 2 339.483 3.648 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000152770242 1026703331 /nfs/dbraw/zinc/70/33/31/1026703331.db2.gz HMPSCRVLOSIZRU-UHFFFAOYSA-N 1 2 332.492 3.692 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000684932490 1026712506 /nfs/dbraw/zinc/71/25/06/1026712506.db2.gz VJTJVGLCNOHGHU-HOCLYGCPSA-N 1 2 344.484 3.713 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122779406 1026727058 /nfs/dbraw/zinc/72/70/58/1026727058.db2.gz UCOZMMGDLVJPDN-GFOCRRMGSA-N 1 2 343.858 3.750 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccc2c(c1)OCO2 ZINC000301272561 1026746105 /nfs/dbraw/zinc/74/61/05/1026746105.db2.gz VSSRPTDSMYQMBD-ZIAGYGMSSA-N 1 2 340.427 3.615 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccc2c(c1)OCO2 ZINC000301272561 1026746112 /nfs/dbraw/zinc/74/61/12/1026746112.db2.gz VSSRPTDSMYQMBD-ZIAGYGMSSA-N 1 2 340.427 3.615 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)COc1ccc(F)cc1 ZINC000301559394 1026854476 /nfs/dbraw/zinc/85/44/76/1026854476.db2.gz JRWIQKVZUJDIMF-INIZCTEOSA-N 1 2 326.371 3.534 20 0 EHADLO Brc1cccc2c(N3CC[C@]4(CCOC4)C3)cc[nH+]c12 ZINC000301588759 1026864383 /nfs/dbraw/zinc/86/43/83/1026864383.db2.gz CEGRHQBQUYBFTE-INIZCTEOSA-N 1 2 333.229 3.614 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCNC(=O)c1c(F)cccc1F ZINC000301724718 1026916696 /nfs/dbraw/zinc/91/66/96/1026916696.db2.gz PBCBBAOSBNBXOC-UHFFFAOYSA-N 1 2 341.361 3.663 20 0 EHADLO CC(C)c1cc(N2CCN([C@@H](C)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000301830908 1026955725 /nfs/dbraw/zinc/95/57/25/1026955725.db2.gz SHJZKZURCURNAB-ZDUSSCGKSA-N 1 2 344.425 3.796 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cccc(Cl)c1 ZINC000301829564 1026955737 /nfs/dbraw/zinc/95/57/37/1026955737.db2.gz GYJMEJNBUMPXOZ-UHFFFAOYSA-N 1 2 329.835 3.889 20 0 EHADLO COc1cc(F)c([C@@H](C)Nc2cc(NCC3CC3)[nH+]cn2)cc1OC ZINC000301832867 1026957200 /nfs/dbraw/zinc/95/72/00/1026957200.db2.gz RPYLLHLHPFSAAY-LLVKDONJSA-N 1 2 346.406 3.628 20 0 EHADLO COc1cc(F)c([C@@H](C)Nc2cc(NCC3CC3)nc[nH+]2)cc1OC ZINC000301832867 1026957205 /nfs/dbraw/zinc/95/72/05/1026957205.db2.gz RPYLLHLHPFSAAY-LLVKDONJSA-N 1 2 346.406 3.628 20 0 EHADLO CC(C)c1cc(NCc2ccc(NC(N)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301837536 1026958777 /nfs/dbraw/zinc/95/87/77/1026958777.db2.gz YEDOGRSUPRFXNT-UHFFFAOYSA-N 1 2 327.432 3.826 20 0 EHADLO O[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cc2ccccc2s1 ZINC000301837314 1026959136 /nfs/dbraw/zinc/95/91/36/1026959136.db2.gz VWAFNQKSGUEEGU-CQSZACIVSA-N 1 2 340.452 3.659 20 0 EHADLO O[C@H](CNc1cc(NCC2CC2)nc[nH+]1)c1cc2ccccc2s1 ZINC000301837314 1026959144 /nfs/dbraw/zinc/95/91/44/1026959144.db2.gz VWAFNQKSGUEEGU-CQSZACIVSA-N 1 2 340.452 3.659 20 0 EHADLO COc1cccc([C@H](O)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1 ZINC000301859249 1026967888 /nfs/dbraw/zinc/96/78/88/1026967888.db2.gz KBLJMAQNWQSXCM-QGZVFWFLSA-N 1 2 329.444 3.878 20 0 EHADLO Nc1nc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)[nH+]c2ccccc12 ZINC000301867150 1026971243 /nfs/dbraw/zinc/97/12/43/1026971243.db2.gz DQSVCWNITLTBTE-CYBMUJFWSA-N 1 2 339.830 3.556 20 0 EHADLO COc1ccccc1[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000153053938 1026975028 /nfs/dbraw/zinc/97/50/28/1026975028.db2.gz KFOVIBIUPQUPNW-KRWDZBQOSA-N 1 2 347.418 3.511 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301907094 1026988540 /nfs/dbraw/zinc/98/85/40/1026988540.db2.gz ZOUFGKJMLKVTAZ-GFCCVEGCSA-N 1 2 327.407 3.918 20 0 EHADLO CCN(Cc1ccc(OC)cc1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301918287 1026993658 /nfs/dbraw/zinc/99/36/58/1026993658.db2.gz JQOOSHTXAQUCEW-UHFFFAOYSA-N 1 2 339.443 3.616 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000301926873 1026997453 /nfs/dbraw/zinc/99/74/53/1026997453.db2.gz MZTAMXRRLZMJJN-BFYDXBDKSA-N 1 2 333.439 3.579 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000123146230 1027002968 /nfs/dbraw/zinc/00/29/68/1027002968.db2.gz XKCJZJDXVBWPGM-YOEHRIQHSA-N 1 2 331.485 3.685 20 0 EHADLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000135554769 1027031190 /nfs/dbraw/zinc/03/11/90/1027031190.db2.gz CBVAGLHWXVCZGC-UHFFFAOYSA-N 1 2 331.847 3.631 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)cc(Cl)c1 ZINC000153105540 1027034691 /nfs/dbraw/zinc/03/46/91/1027034691.db2.gz BMENHFBFLXFZOB-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000302077094 1027046262 /nfs/dbraw/zinc/04/62/62/1027046262.db2.gz WOIZQSARUAQTKK-HOCLYGCPSA-N 1 2 345.491 3.977 20 0 EHADLO Cc1nc(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302103558 1027053819 /nfs/dbraw/zinc/05/38/19/1027053819.db2.gz QWYXEVKNPXVDLA-DJJJIMSYSA-N 1 2 341.430 3.769 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)c2c([nH+]1)CCCC2 ZINC000302101001 1027054353 /nfs/dbraw/zinc/05/43/53/1027054353.db2.gz PVBRTDLPJJLCNB-YVEFUNNKSA-N 1 2 329.469 3.692 20 0 EHADLO CCCCOc1ccc(-c2nnc(COc3cc[nH+]cc3)o2)cc1 ZINC000431478031 1027086969 /nfs/dbraw/zinc/08/69/69/1027086969.db2.gz PPHOZCWMIIMBNS-UHFFFAOYSA-N 1 2 325.368 3.890 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000125720737 1027117713 /nfs/dbraw/zinc/11/77/13/1027117713.db2.gz CGAJGPIBCNMVDD-YOEHRIQHSA-N 1 2 343.858 3.678 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000153155180 1027128279 /nfs/dbraw/zinc/12/82/79/1027128279.db2.gz ZNNGCBRYZYUBTP-ZIAGYGMSSA-N 1 2 346.500 3.553 20 0 EHADLO COc1cccc2c(NC[C@@H]3CCN(CC(F)(F)F)C3)cc[nH+]c12 ZINC000302422632 1027150011 /nfs/dbraw/zinc/15/00/11/1027150011.db2.gz JETCSLLGTJJUFO-LBPRGKRZSA-N 1 2 339.361 3.540 20 0 EHADLO C[C@@H](CC(=O)N[C@H](COc1ccccc1F)C(C)(C)C)n1cc[nH+]c1 ZINC000582731120 1027156780 /nfs/dbraw/zinc/15/67/80/1027156780.db2.gz SJBIKWXDTYZJQD-WMLDXEAASA-N 1 2 347.434 3.583 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000075559070 1027172314 /nfs/dbraw/zinc/17/23/14/1027172314.db2.gz LOYFNEXGMRHXMX-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO Cc1csc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)n1 ZINC000126255979 1027179613 /nfs/dbraw/zinc/17/96/13/1027179613.db2.gz ZYUZJXWWCBMKFR-LLVKDONJSA-N 1 2 333.848 3.536 20 0 EHADLO Cc1nc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272936440 1027186069 /nfs/dbraw/zinc/18/60/69/1027186069.db2.gz WHQODLJGMVXWFC-DAOPMYJZSA-N 1 2 329.469 3.574 20 0 EHADLO CN(Cc1ccc(OC(F)F)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000302555959 1027193494 /nfs/dbraw/zinc/19/34/94/1027193494.db2.gz LJXUVNJFEARENO-UHFFFAOYSA-N 1 2 348.397 3.705 20 0 EHADLO CN(Cc1ccc(OC(F)F)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000302555959 1027193506 /nfs/dbraw/zinc/19/35/06/1027193506.db2.gz LJXUVNJFEARENO-UHFFFAOYSA-N 1 2 348.397 3.705 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000075683569 1027194372 /nfs/dbraw/zinc/19/43/72/1027194372.db2.gz XZCKUNSDSICCQR-UKRRQHHQSA-N 1 2 337.464 3.505 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000075683569 1027194379 /nfs/dbraw/zinc/19/43/79/1027194379.db2.gz XZCKUNSDSICCQR-UKRRQHHQSA-N 1 2 337.464 3.505 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)cn2c1 ZINC000501318179 1027195187 /nfs/dbraw/zinc/19/51/87/1027195187.db2.gz AYRHRYGGLOBZPH-YSVLISHTSA-N 1 2 345.512 3.817 20 0 EHADLO CCC1(O)CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000075858415 1027196759 /nfs/dbraw/zinc/19/67/59/1027196759.db2.gz KBPYFYIBQFSUHW-CYBMUJFWSA-N 1 2 349.862 3.612 20 0 EHADLO C[C@H]1C[C@@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141453 1027199926 /nfs/dbraw/zinc/19/99/26/1027199926.db2.gz JJOAWKGIVMIJDM-YOEHRIQHSA-N 1 2 343.446 3.807 20 0 EHADLO C[C@H]1C[C@@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141453 1027199936 /nfs/dbraw/zinc/19/99/36/1027199936.db2.gz JJOAWKGIVMIJDM-YOEHRIQHSA-N 1 2 343.446 3.807 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915380 1027210306 /nfs/dbraw/zinc/21/03/06/1027210306.db2.gz QCVNBBUFKWYICL-QUCCMNQESA-N 1 2 341.499 3.959 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915380 1027210320 /nfs/dbraw/zinc/21/03/20/1027210320.db2.gz QCVNBBUFKWYICL-QUCCMNQESA-N 1 2 341.499 3.959 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1c(F)cncc1F ZINC000414432762 1027232313 /nfs/dbraw/zinc/23/23/13/1027232313.db2.gz AGGGFONHDBAHFD-MRVPVSSYSA-N 1 2 328.265 3.532 20 0 EHADLO Cc1cc(-c2noc(C[N@H+](Cc3ccccn3)C(C)C)n2)ccc1F ZINC000531733278 1027254544 /nfs/dbraw/zinc/25/45/44/1027254544.db2.gz MFEOLQSIUBVWNG-UHFFFAOYSA-N 1 2 340.402 3.990 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+](Cc3ccccn3)C(C)C)n2)ccc1F ZINC000531733278 1027254561 /nfs/dbraw/zinc/25/45/61/1027254561.db2.gz MFEOLQSIUBVWNG-UHFFFAOYSA-N 1 2 340.402 3.990 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000273102476 1027269510 /nfs/dbraw/zinc/26/95/10/1027269510.db2.gz IXIQLXVLFLFUQF-NVXWUHKLSA-N 1 2 335.407 3.866 20 0 EHADLO c1ccc(N2CCCCC2)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302859190 1027330072 /nfs/dbraw/zinc/33/00/72/1027330072.db2.gz UBSBQWBHNWFGDA-UHFFFAOYSA-N 1 2 337.471 3.679 20 0 EHADLO c1ccc(N2CCCCC2)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302859190 1027330087 /nfs/dbraw/zinc/33/00/87/1027330087.db2.gz UBSBQWBHNWFGDA-UHFFFAOYSA-N 1 2 337.471 3.679 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C\c3cc(C)c(C)cc3C)[nH+]c12 ZINC001126727182 1027330140 /nfs/dbraw/zinc/33/01/40/1027330140.db2.gz BBLIBAMCXZUZQQ-FPLPWBNLSA-N 1 2 347.462 3.940 20 0 EHADLO CCS[C@@H]1CCC[C@@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302878259 1027341382 /nfs/dbraw/zinc/34/13/82/1027341382.db2.gz GJFMDYATTSGPLX-ZIAGYGMSSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@@H]1CCC[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302878259 1027341396 /nfs/dbraw/zinc/34/13/96/1027341396.db2.gz GJFMDYATTSGPLX-ZIAGYGMSSA-N 1 2 338.546 3.506 20 0 EHADLO CC(C)c1ccccc1OCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302888738 1027345870 /nfs/dbraw/zinc/34/58/70/1027345870.db2.gz MVHKRDRHIATHSG-UHFFFAOYSA-N 1 2 326.444 3.691 20 0 EHADLO CC(C)c1ccccc1OCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302888738 1027345885 /nfs/dbraw/zinc/34/58/85/1027345885.db2.gz MVHKRDRHIATHSG-UHFFFAOYSA-N 1 2 326.444 3.691 20 0 EHADLO COC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000453105426 1027370867 /nfs/dbraw/zinc/37/08/67/1027370867.db2.gz BTEPCKFMHAEJAT-GLQYFDAESA-N 1 2 339.361 3.885 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045958290 1027374951 /nfs/dbraw/zinc/37/49/51/1027374951.db2.gz YMLZCOFZBZGNFH-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2cccs2)on1 ZINC000077030296 1027377944 /nfs/dbraw/zinc/37/79/44/1027377944.db2.gz QWVUCGZESQBWRN-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO Cc1ccncc1C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273340207 1027385323 /nfs/dbraw/zinc/38/53/23/1027385323.db2.gz VSSJBTGCYTZGFA-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446153 1027397340 /nfs/dbraw/zinc/39/73/40/1027397340.db2.gz OCMHJQDNHZTFDJ-GOEBONIOSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446153 1027397356 /nfs/dbraw/zinc/39/73/56/1027397356.db2.gz OCMHJQDNHZTFDJ-GOEBONIOSA-N 1 2 349.521 3.838 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077348218 1027397586 /nfs/dbraw/zinc/39/75/86/1027397586.db2.gz ZGFBHKZGAQEEQP-OAHLLOKOSA-N 1 2 332.492 3.564 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122594 1027400691 /nfs/dbraw/zinc/40/06/91/1027400691.db2.gz QJFVCUUPQFWIRQ-MIUGBVLSSA-N 1 2 341.543 3.502 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128238915 1027410877 /nfs/dbraw/zinc/41/08/77/1027410877.db2.gz BHNVYMSQBUQARY-DZGCQCFKSA-N 1 2 331.485 3.738 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128238915 1027410891 /nfs/dbraw/zinc/41/08/91/1027410891.db2.gz BHNVYMSQBUQARY-DZGCQCFKSA-N 1 2 331.485 3.738 20 0 EHADLO C[C@H](CC(=O)N1CCCC[C@@H]1Cc1ccccc1F)n1cc[nH+]c1 ZINC000650648890 1027478946 /nfs/dbraw/zinc/47/89/46/1027478946.db2.gz KGMBHMDJVFCVJA-NVXWUHKLSA-N 1 2 329.419 3.597 20 0 EHADLO CCCc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)co1 ZINC000273599073 1027513179 /nfs/dbraw/zinc/51/31/79/1027513179.db2.gz OKOWQWCHXNXBII-GFCCVEGCSA-N 1 2 348.472 3.568 20 0 EHADLO CCCc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)co1 ZINC000273599073 1027513185 /nfs/dbraw/zinc/51/31/85/1027513185.db2.gz OKOWQWCHXNXBII-GFCCVEGCSA-N 1 2 348.472 3.568 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(F)cc3)o2)cc1 ZINC000078245584 1027544300 /nfs/dbraw/zinc/54/43/00/1027544300.db2.gz CGXORWCOJHRERZ-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(F)cc3)o2)cc1 ZINC000078245584 1027544316 /nfs/dbraw/zinc/54/43/16/1027544316.db2.gz CGXORWCOJHRERZ-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO CC(C)(C)c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)no1 ZINC000273701866 1027568602 /nfs/dbraw/zinc/56/86/02/1027568602.db2.gz GRFPXYVIHHOUOO-UHFFFAOYSA-N 1 2 349.394 3.934 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3CCc4ccccc43)c12 ZINC000347329153 1027582120 /nfs/dbraw/zinc/58/21/20/1027582120.db2.gz YUPIGFDUKYHKBD-INIZCTEOSA-N 1 2 341.418 3.957 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1C ZINC000342841833 1027589544 /nfs/dbraw/zinc/58/95/44/1027589544.db2.gz SXFFIXLPYUCNCR-SFHVURJKSA-N 1 2 337.389 3.869 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1C ZINC000342841833 1027589556 /nfs/dbraw/zinc/58/95/56/1027589556.db2.gz SXFFIXLPYUCNCR-SFHVURJKSA-N 1 2 337.389 3.869 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582755785 1027595915 /nfs/dbraw/zinc/59/59/15/1027595915.db2.gz BNGJDMZKKWDWJI-VQIMIIECSA-N 1 2 339.483 3.805 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2cccc3n[nH]cc32)o1 ZINC000628151947 1027597069 /nfs/dbraw/zinc/59/70/69/1027597069.db2.gz GVQGMUSJPSUELE-LJQANCHMSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2cccc3n[nH]cc32)o1 ZINC000628151947 1027597082 /nfs/dbraw/zinc/59/70/82/1027597082.db2.gz GVQGMUSJPSUELE-LJQANCHMSA-N 1 2 345.406 3.554 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000501877985 1027625083 /nfs/dbraw/zinc/62/50/83/1027625083.db2.gz WIBDHPJSRWHUOM-CABCVRRESA-N 1 2 342.508 3.935 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000501877985 1027625095 /nfs/dbraw/zinc/62/50/95/1027625095.db2.gz WIBDHPJSRWHUOM-CABCVRRESA-N 1 2 342.508 3.935 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H](c1ccccc1)C1CC1 ZINC000130090570 1027633144 /nfs/dbraw/zinc/63/31/44/1027633144.db2.gz CHXANWOHKOJGEG-HXUWFJFHSA-N 1 2 331.419 3.682 20 0 EHADLO Cc1cnccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000582765775 1027634886 /nfs/dbraw/zinc/63/48/86/1027634886.db2.gz OWGPJYLXZNDDPN-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cnccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000582765775 1027634892 /nfs/dbraw/zinc/63/48/92/1027634892.db2.gz OWGPJYLXZNDDPN-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)cc(C)[nH+]1 ZINC000422206954 1027638875 /nfs/dbraw/zinc/63/88/75/1027638875.db2.gz LNBLFYUBYQFHHP-LJQANCHMSA-N 1 2 338.455 3.920 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc(C)[nH+]1 ZINC000422218329 1027656319 /nfs/dbraw/zinc/65/63/19/1027656319.db2.gz XSIOEEYRJSWRDI-UHFFFAOYSA-N 1 2 345.393 3.851 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428363533 1027673730 /nfs/dbraw/zinc/67/37/30/1027673730.db2.gz MEBTYJWHPVHVQH-OAHLLOKOSA-N 1 2 345.402 3.836 20 0 EHADLO COCc1cc(C[N@H+]2CC=C(c3c[nH]c4cc(C)ccc43)CC2)no1 ZINC000459331947 1027679553 /nfs/dbraw/zinc/67/95/53/1027679553.db2.gz UWOWMDAEUVYQFR-UHFFFAOYSA-N 1 2 337.423 3.900 20 0 EHADLO COCc1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(C)ccc43)CC2)no1 ZINC000459331947 1027679557 /nfs/dbraw/zinc/67/95/57/1027679557.db2.gz UWOWMDAEUVYQFR-UHFFFAOYSA-N 1 2 337.423 3.900 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130653350 1027689619 /nfs/dbraw/zinc/68/96/19/1027689619.db2.gz VSGDTEKCBLAGRO-SJORKVTESA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130653350 1027689629 /nfs/dbraw/zinc/68/96/29/1027689629.db2.gz VSGDTEKCBLAGRO-SJORKVTESA-N 1 2 343.471 3.604 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000072771440 1027691810 /nfs/dbraw/zinc/69/18/10/1027691810.db2.gz WSBMBXRGQWHTAO-XQQFMLRXSA-N 1 2 326.893 3.801 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000072771440 1027691822 /nfs/dbraw/zinc/69/18/22/1027691822.db2.gz WSBMBXRGQWHTAO-XQQFMLRXSA-N 1 2 326.893 3.801 20 0 EHADLO CCCOc1cccc2c(N[C@@H](CO)CC(F)(F)F)cc[nH+]c12 ZINC000502012719 1027698300 /nfs/dbraw/zinc/69/83/00/1027698300.db2.gz WLVWSAYQLYKJPB-LLVKDONJSA-N 1 2 328.334 3.749 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420777610 1027723344 /nfs/dbraw/zinc/72/33/44/1027723344.db2.gz XTVVVHQTZYXHIW-OAHLLOKOSA-N 1 2 327.428 3.576 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1cc2ccccc2o1 ZINC001167618984 1027769022 /nfs/dbraw/zinc/76/90/22/1027769022.db2.gz IGRJYHPHCWMYPJ-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1cc2ccccc2o1 ZINC001167618984 1027769040 /nfs/dbraw/zinc/76/90/40/1027769040.db2.gz IGRJYHPHCWMYPJ-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000665838325 1027769782 /nfs/dbraw/zinc/76/97/82/1027769782.db2.gz XUVKOZPDFVFUBM-PMOLBWCYSA-N 1 2 337.467 3.764 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CC2 ZINC000431487979 1027776449 /nfs/dbraw/zinc/77/64/49/1027776449.db2.gz YNQSNQOKAZOFLP-MRXNPFEDSA-N 1 2 333.391 3.549 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000420840724 1027782442 /nfs/dbraw/zinc/78/24/42/1027782442.db2.gz BEQROEHTTGLFHK-MAUKXSAKSA-N 1 2 341.430 3.925 20 0 EHADLO C[N@H+](Cc1ccc(C2CC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000459349996 1027801046 /nfs/dbraw/zinc/80/10/46/1027801046.db2.gz RYQNXCDVZFQBNJ-UHFFFAOYSA-N 1 2 329.465 3.600 20 0 EHADLO C[N@@H+](Cc1ccc(C2CC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000459349996 1027801065 /nfs/dbraw/zinc/80/10/65/1027801065.db2.gz RYQNXCDVZFQBNJ-UHFFFAOYSA-N 1 2 329.465 3.600 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2ccc(F)c(Cl)c2)cc(C)[nH+]1 ZINC000420857022 1027803821 /nfs/dbraw/zinc/80/38/21/1027803821.db2.gz ZGOXUQTZSXNJLM-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO COc1ccc(CN(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000420859842 1027806970 /nfs/dbraw/zinc/80/69/70/1027806970.db2.gz LJJNPAGUPSZHHU-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc(C)[nH+]1 ZINC000420864745 1027823586 /nfs/dbraw/zinc/82/35/86/1027823586.db2.gz ULPWMBKCZLIHOD-AWEZNQCLSA-N 1 2 349.356 3.602 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131842150 1027829203 /nfs/dbraw/zinc/82/92/03/1027829203.db2.gz GKNANBLHAVKBLA-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000420901331 1027838065 /nfs/dbraw/zinc/83/80/65/1027838065.db2.gz JVEKMLMCRIHGRI-UHFFFAOYSA-N 1 2 343.862 3.528 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000420901331 1027838079 /nfs/dbraw/zinc/83/80/79/1027838079.db2.gz JVEKMLMCRIHGRI-UHFFFAOYSA-N 1 2 343.862 3.528 20 0 EHADLO CCOCc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110128761 1027855680 /nfs/dbraw/zinc/85/56/80/1027855680.db2.gz AHCDVXIUTIGQMU-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO CCOCc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110128761 1027855701 /nfs/dbraw/zinc/85/57/01/1027855701.db2.gz AHCDVXIUTIGQMU-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO COCOc1ccccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001211558774 1027882100 /nfs/dbraw/zinc/88/21/00/1027882100.db2.gz MEYNZYYZDMGVEM-UHFFFAOYSA-N 1 2 348.200 3.823 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)cs1 ZINC000894275371 1027901998 /nfs/dbraw/zinc/90/19/98/1027901998.db2.gz GGZCHQVRIIOPBZ-LLVKDONJSA-N 1 2 335.473 3.794 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951882 1027916932 /nfs/dbraw/zinc/91/69/32/1027916932.db2.gz RITSANJZFGBPIH-CYBMUJFWSA-N 1 2 344.377 3.607 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951882 1027916943 /nfs/dbraw/zinc/91/69/43/1027916943.db2.gz RITSANJZFGBPIH-CYBMUJFWSA-N 1 2 344.377 3.607 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1F ZINC000420952266 1027918294 /nfs/dbraw/zinc/91/82/94/1027918294.db2.gz RZQUTAUQTPFIJY-GFCCVEGCSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1F ZINC000420952266 1027918307 /nfs/dbraw/zinc/91/83/07/1027918307.db2.gz RZQUTAUQTPFIJY-GFCCVEGCSA-N 1 2 332.341 3.737 20 0 EHADLO CC[C@@H]1C[C@H](C[NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)CCO1 ZINC000503587334 1027926503 /nfs/dbraw/zinc/92/65/03/1027926503.db2.gz SNRQSFYLDNAAJH-KBRIMQKVSA-N 1 2 349.862 3.916 20 0 EHADLO CC[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503590712 1027932022 /nfs/dbraw/zinc/93/20/22/1027932022.db2.gz BMDJNBLKYQTZSH-GBESFXJTSA-N 1 2 347.499 3.734 20 0 EHADLO C[N@H+](CCC(F)(F)F)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000533490445 1027952131 /nfs/dbraw/zinc/95/21/31/1027952131.db2.gz VDOVLEOMBNUXPM-CYBMUJFWSA-N 1 2 334.769 3.720 20 0 EHADLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000533490445 1027952137 /nfs/dbraw/zinc/95/21/37/1027952137.db2.gz VDOVLEOMBNUXPM-CYBMUJFWSA-N 1 2 334.769 3.720 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000533482907 1027972391 /nfs/dbraw/zinc/97/23/91/1027972391.db2.gz GPVLZVNUKSDLTF-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000533482907 1027972400 /nfs/dbraw/zinc/97/24/00/1027972400.db2.gz GPVLZVNUKSDLTF-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO C[C@H](F)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455280338 1027973395 /nfs/dbraw/zinc/97/33/95/1027973395.db2.gz GCBQXFDGBCOIRE-ZDUSSCGKSA-N 1 2 330.407 3.756 20 0 EHADLO CCC(CC)c1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)on1 ZINC000133119259 1027999683 /nfs/dbraw/zinc/99/96/83/1027999683.db2.gz YKGKLUOIPJMLJS-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434139002 1028005820 /nfs/dbraw/zinc/00/58/20/1028005820.db2.gz UBTYZIBZCHNMLY-LSDHHAIUSA-N 1 2 332.492 3.543 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1 ZINC000582847285 1028012020 /nfs/dbraw/zinc/01/20/20/1028012020.db2.gz IRMGNWDXOZJHJG-GOSISDBHSA-N 1 2 346.434 3.596 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000444594289 1028056583 /nfs/dbraw/zinc/05/65/83/1028056583.db2.gz HWKPISYYHDOOLX-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000444594289 1028056604 /nfs/dbraw/zinc/05/66/04/1028056604.db2.gz HWKPISYYHDOOLX-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000353520912 1028083130 /nfs/dbraw/zinc/08/31/30/1028083130.db2.gz PUQFDRXUHQIHAZ-NSHDSACASA-N 1 2 329.425 3.570 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000353520912 1028083149 /nfs/dbraw/zinc/08/31/49/1028083149.db2.gz PUQFDRXUHQIHAZ-NSHDSACASA-N 1 2 329.425 3.570 20 0 EHADLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152485975 1028084041 /nfs/dbraw/zinc/08/40/41/1028084041.db2.gz QJCDIXCAGFHYTP-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152485975 1028084061 /nfs/dbraw/zinc/08/40/61/1028084061.db2.gz QJCDIXCAGFHYTP-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000665882926 1028098487 /nfs/dbraw/zinc/09/84/87/1028098487.db2.gz JYUDGZHDLGDEGJ-HZPDHXFCSA-N 1 2 338.455 3.543 20 0 EHADLO COc1c(Cl)cccc1C[NH2+]Cc1ncc(CSC)s1 ZINC000897481647 1028113464 /nfs/dbraw/zinc/11/34/64/1028113464.db2.gz GZWZPKYQRRMLOP-UHFFFAOYSA-N 1 2 328.890 3.958 20 0 EHADLO CCC(CC)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367157953 1028127974 /nfs/dbraw/zinc/12/79/74/1028127974.db2.gz GLBYVYKPCYPMHY-MRXNPFEDSA-N 1 2 332.492 3.545 20 0 EHADLO COc1cc(C)c(NC(=O)NCc2c[nH+]c(C)cc2C)c(C)c1C ZINC000455412307 1028141377 /nfs/dbraw/zinc/14/13/77/1028141377.db2.gz BNQJJSLRQGCTIS-UHFFFAOYSA-N 1 2 327.428 3.954 20 0 EHADLO [NH3+][C@H](C(=O)Nc1cccc(COCC2CC2)c1)c1c(F)cccc1F ZINC000423081757 1028169789 /nfs/dbraw/zinc/16/97/89/1028169789.db2.gz CCCNAPWXASRQQX-SFHVURJKSA-N 1 2 346.377 3.530 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2OC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000125910129 1028171435 /nfs/dbraw/zinc/17/14/35/1028171435.db2.gz FDQHHCSXSCRROB-CRAIPNDOSA-N 1 2 339.439 3.538 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697392 1028172521 /nfs/dbraw/zinc/17/25/21/1028172521.db2.gz XZIPZXJGVHMVNZ-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697392 1028172527 /nfs/dbraw/zinc/17/25/27/1028172527.db2.gz XZIPZXJGVHMVNZ-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1cc(F)cc(F)c1 ZINC000444701815 1028176567 /nfs/dbraw/zinc/17/65/67/1028176567.db2.gz IGRFPWSLICJMBB-UHFFFAOYSA-N 1 2 344.405 3.592 20 0 EHADLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1cc(F)cc(F)c1 ZINC000444701815 1028176581 /nfs/dbraw/zinc/17/65/81/1028176581.db2.gz IGRFPWSLICJMBB-UHFFFAOYSA-N 1 2 344.405 3.592 20 0 EHADLO C[NH2+]Cc1noc([C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000414506515 1028197202 /nfs/dbraw/zinc/19/72/02/1028197202.db2.gz WUIIQZNYYWDHJN-MSOLQXFVSA-N 1 2 335.407 3.639 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444721755 1028214581 /nfs/dbraw/zinc/21/45/81/1028214581.db2.gz GBPXFRYBTYMGJP-SMDDNHRTSA-N 1 2 336.423 3.621 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444721755 1028214602 /nfs/dbraw/zinc/21/46/02/1028214602.db2.gz GBPXFRYBTYMGJP-SMDDNHRTSA-N 1 2 336.423 3.621 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000502453415 1028222191 /nfs/dbraw/zinc/22/21/91/1028222191.db2.gz ZUBUZENFWWFIRO-MRXNPFEDSA-N 1 2 339.782 3.672 20 0 EHADLO COc1cccc2c(N3CCC(CO)(c4ccccc4)CC3)cc[nH+]c12 ZINC000431504038 1028223855 /nfs/dbraw/zinc/22/38/55/1028223855.db2.gz YVNWDLVEONVKME-UHFFFAOYSA-N 1 2 348.446 3.774 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2)c(C)[nH+]1 ZINC000455494342 1028223950 /nfs/dbraw/zinc/22/39/50/1028223950.db2.gz DSQQFKSJAVZNSW-OAHLLOKOSA-N 1 2 342.418 3.546 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@H]([NH3+])c1cscn1 ZINC000423137664 1028224895 /nfs/dbraw/zinc/22/48/95/1028224895.db2.gz WRYPIOMUZCYNOX-OAHLLOKOSA-N 1 2 337.876 3.625 20 0 EHADLO Cc1ccc2nc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)sc2c1 ZINC000523377270 1028230107 /nfs/dbraw/zinc/23/01/07/1028230107.db2.gz OAJIGADTXWXEHW-UHFFFAOYSA-N 1 2 336.420 3.742 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)c(C)[nH+]1 ZINC000455481688 1028246519 /nfs/dbraw/zinc/24/65/19/1028246519.db2.gz OTEQLLYMCQBGOL-ZDUSSCGKSA-N 1 2 327.428 3.855 20 0 EHADLO COCCOc1ccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)c1 ZINC000455485307 1028253541 /nfs/dbraw/zinc/25/35/41/1028253541.db2.gz QYZUHDKPYHSJEY-UHFFFAOYSA-N 1 2 343.427 3.984 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000054989198 1028254749 /nfs/dbraw/zinc/25/47/49/1028254749.db2.gz SMDOAHMFIDXYGY-ZDUSSCGKSA-N 1 2 326.400 3.543 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000054989198 1028254764 /nfs/dbraw/zinc/25/47/64/1028254764.db2.gz SMDOAHMFIDXYGY-ZDUSSCGKSA-N 1 2 326.400 3.543 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423213322 1028258461 /nfs/dbraw/zinc/25/84/61/1028258461.db2.gz JRYCZMMJYKHRSU-LBPRGKRZSA-N 1 2 325.412 3.795 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)nn1C ZINC000421321729 1028262130 /nfs/dbraw/zinc/26/21/30/1028262130.db2.gz CMEVXFBJPXGHJS-UHFFFAOYSA-N 1 2 347.768 3.613 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)nn1C ZINC000421323047 1028265083 /nfs/dbraw/zinc/26/50/83/1028265083.db2.gz FVELUMGUKZRPGN-GOSISDBHSA-N 1 2 349.862 3.640 20 0 EHADLO Cc1nc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)nc2ccccc12 ZINC000523392220 1028269440 /nfs/dbraw/zinc/26/94/40/1028269440.db2.gz HMLLSKMSUDQOPU-UHFFFAOYSA-N 1 2 333.435 3.942 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)c(C)[nH+]1 ZINC000455500503 1028272153 /nfs/dbraw/zinc/27/21/53/1028272153.db2.gz SYGNQDUGXVAKRR-HXUWFJFHSA-N 1 2 337.423 3.670 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000455513475 1028290888 /nfs/dbraw/zinc/29/08/88/1028290888.db2.gz IPVBNYVSSRXCHB-CXAGYDPISA-N 1 2 345.468 3.892 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)COc3cccc(C)c3)ccc2[nH+]1 ZINC000523425404 1028295215 /nfs/dbraw/zinc/29/52/15/1028295215.db2.gz QEOQNKSMNHODCL-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCCOc2ccc3ccccc3c2)no1 ZINC000532701932 1028308149 /nfs/dbraw/zinc/30/81/49/1028308149.db2.gz CNIUSDLMXOSXJX-UHFFFAOYSA-N 1 2 325.412 3.825 20 0 EHADLO C[C@@H](CCC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000137342866 1028308976 /nfs/dbraw/zinc/30/89/76/1028308976.db2.gz MADVMNXIEMAWBS-KRWDZBQOSA-N 1 2 337.467 3.751 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000354061530 1028309634 /nfs/dbraw/zinc/30/96/34/1028309634.db2.gz PSESRZOQGBGGFU-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000354061530 1028309657 /nfs/dbraw/zinc/30/96/57/1028309657.db2.gz PSESRZOQGBGGFU-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c[nH+]1 ZINC000455534742 1028311309 /nfs/dbraw/zinc/31/13/09/1028311309.db2.gz AEQSOIVIJVKLEW-BLVKFPJESA-N 1 2 341.430 3.960 20 0 EHADLO COc1cc(C)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056728647 1028341053 /nfs/dbraw/zinc/34/10/53/1028341053.db2.gz OEWIDDJQOASZMU-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342955723 1028369051 /nfs/dbraw/zinc/36/90/51/1028369051.db2.gz YKQRZBCFZMNKKF-GFCCVEGCSA-N 1 2 331.847 3.629 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475615871 1028379060 /nfs/dbraw/zinc/37/90/60/1028379060.db2.gz MALSZDVRVWIWNH-BXUZGUMPSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475615871 1028379079 /nfs/dbraw/zinc/37/90/79/1028379079.db2.gz MALSZDVRVWIWNH-BXUZGUMPSA-N 1 2 335.391 3.537 20 0 EHADLO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000068038818 1028384664 /nfs/dbraw/zinc/38/46/64/1028384664.db2.gz KJQRFTQCHNMBOH-UHFFFAOYSA-N 1 2 336.722 3.555 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc(C4CC4)nc3)[C@@H](C)CO2)c1 ZINC000459378012 1028401439 /nfs/dbraw/zinc/40/14/39/1028401439.db2.gz PFEFWHKQYWLHMS-JXFKEZNVSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc(C4CC4)nc3)[C@@H](C)CO2)c1 ZINC000459378012 1028401450 /nfs/dbraw/zinc/40/14/50/1028401450.db2.gz PFEFWHKQYWLHMS-JXFKEZNVSA-N 1 2 337.467 3.933 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000069069320 1028418275 /nfs/dbraw/zinc/41/82/75/1028418275.db2.gz CPWGNVCYBOVGGC-LBPRGKRZSA-N 1 2 338.810 3.724 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000069069320 1028418301 /nfs/dbraw/zinc/41/83/01/1028418301.db2.gz CPWGNVCYBOVGGC-LBPRGKRZSA-N 1 2 338.810 3.724 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2cscc2C(F)(F)F)C1 ZINC000414531817 1028440961 /nfs/dbraw/zinc/44/09/61/1028440961.db2.gz AAWJAFFTAZRAJU-UHFFFAOYSA-N 1 2 327.371 3.513 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062127341 1028441408 /nfs/dbraw/zinc/44/14/08/1028441408.db2.gz VUDZHTKVCHMYIG-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062127341 1028441414 /nfs/dbraw/zinc/44/14/14/1028441414.db2.gz VUDZHTKVCHMYIG-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO CSc1ncc(C[NH+]2CCC(c3ccccn3)CC2)c(Cl)n1 ZINC001142427305 1028443207 /nfs/dbraw/zinc/44/32/07/1028443207.db2.gz MRRIPMNVGUTJEF-UHFFFAOYSA-N 1 2 334.876 3.627 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](Nc2ccccc2)C(C)C)c[nH+]1 ZINC000455558755 1028453755 /nfs/dbraw/zinc/45/37/55/1028453755.db2.gz NKCYEZZESKQPNK-LJQANCHMSA-N 1 2 340.471 3.634 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@@H](C)O1 ZINC000523609280 1028466086 /nfs/dbraw/zinc/46/60/86/1028466086.db2.gz DKIOQORKKMLLNG-OLZOCXBDSA-N 1 2 333.453 3.687 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@@H](C)O1 ZINC000523609280 1028466095 /nfs/dbraw/zinc/46/60/95/1028466095.db2.gz DKIOQORKKMLLNG-OLZOCXBDSA-N 1 2 333.453 3.687 20 0 EHADLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2ccco2)c1 ZINC000162142661 1028473325 /nfs/dbraw/zinc/47/33/25/1028473325.db2.gz LYTUKOJGSCQPGS-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000162142661 1028473332 /nfs/dbraw/zinc/47/33/32/1028473332.db2.gz LYTUKOJGSCQPGS-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO COc1ccc([C@H](NC(=O)NCc2c[nH+]c(C)cc2C)C(C)C)cc1 ZINC000455562280 1028474246 /nfs/dbraw/zinc/47/42/46/1028474246.db2.gz RYCVSWKZRCFEHR-LJQANCHMSA-N 1 2 341.455 3.904 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000455562120 1028477176 /nfs/dbraw/zinc/47/71/76/1028477176.db2.gz RHHBWJUSFPSOTF-ZFWWWQNUSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(OC(F)F)cc2)c[nH+]1 ZINC000455565942 1028483475 /nfs/dbraw/zinc/48/34/75/1028483475.db2.gz XHWZSESORPQADF-UHFFFAOYSA-N 1 2 349.381 3.641 20 0 EHADLO c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1nnc2n1CCCCC2 ZINC000194018360 1028485431 /nfs/dbraw/zinc/48/54/31/1028485431.db2.gz BQHRRTGOBFLPOX-UHFFFAOYSA-N 1 2 330.435 3.864 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)sc1C ZINC000072308827 1028502433 /nfs/dbraw/zinc/50/24/33/1028502433.db2.gz GBXJXPIDZLMJJE-DETPVDSQSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)sc1C ZINC000072308827 1028502456 /nfs/dbraw/zinc/50/24/56/1028502456.db2.gz GBXJXPIDZLMJJE-DETPVDSQSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000194503192 1028536054 /nfs/dbraw/zinc/53/60/54/1028536054.db2.gz DNKAVMZQSPXOTF-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO Cc1cc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc(C)[nH+]1 ZINC000421563224 1028538934 /nfs/dbraw/zinc/53/89/34/1028538934.db2.gz WTWYOZHEHNZQFT-UHFFFAOYSA-N 1 2 335.407 3.602 20 0 EHADLO Cc1cc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc(C)[nH+]1 ZINC000421552816 1028552685 /nfs/dbraw/zinc/55/26/85/1028552685.db2.gz CGOBQQCNKCYOOM-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Br)c(C)c2)cc(C)[nH+]1 ZINC000421574561 1028568490 /nfs/dbraw/zinc/56/84/90/1028568490.db2.gz GOBQLXPRWFALGS-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc(C)[nH+]1 ZINC000421575709 1028570379 /nfs/dbraw/zinc/57/03/79/1028570379.db2.gz KSYTVYFQLYUGJV-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421579567 1028574648 /nfs/dbraw/zinc/57/46/48/1028574648.db2.gz UITMARZWGAOGRO-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)CSCc2ccccc2)cc(C)[nH+]1 ZINC000421580535 1028575731 /nfs/dbraw/zinc/57/57/31/1028575731.db2.gz WQSNARAPAYLEGD-AWEZNQCLSA-N 1 2 328.481 3.884 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000342996825 1028581428 /nfs/dbraw/zinc/58/14/28/1028581428.db2.gz CXXXOOKWYSFPHX-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO COc1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1F ZINC000074222664 1028602052 /nfs/dbraw/zinc/60/20/52/1028602052.db2.gz OMBIJLLMAMSYSH-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc2C1 ZINC000074604476 1028627110 /nfs/dbraw/zinc/62/71/10/1028627110.db2.gz XIAQXFZKQPDCRT-FQEVSTJZSA-N 1 2 331.419 3.502 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC3CCCC3)CC2)c(F)c1 ZINC000195324644 1028628259 /nfs/dbraw/zinc/62/82/59/1028628259.db2.gz HERSCNNNCHUZMA-HNNXBMFYSA-N 1 2 348.462 3.885 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000583041416 1028629568 /nfs/dbraw/zinc/62/95/68/1028629568.db2.gz GFILASPOXVHKNZ-HXUWFJFHSA-N 1 2 337.419 3.786 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000583041416 1028629570 /nfs/dbraw/zinc/62/95/70/1028629570.db2.gz GFILASPOXVHKNZ-HXUWFJFHSA-N 1 2 337.419 3.786 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000079325331 1028632720 /nfs/dbraw/zinc/63/27/20/1028632720.db2.gz XQFYLOHBUJVEMF-JQWIXIFHSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000079325331 1028632730 /nfs/dbraw/zinc/63/27/30/1028632730.db2.gz XQFYLOHBUJVEMF-JQWIXIFHSA-N 1 2 345.896 3.532 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C)nc1)CC2 ZINC000153711881 1028641719 /nfs/dbraw/zinc/64/17/19/1028641719.db2.gz LPGMPBAMEPOJCQ-UHFFFAOYSA-N 1 2 326.440 3.746 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C)nc1)CC2 ZINC000153711881 1028641728 /nfs/dbraw/zinc/64/17/28/1028641728.db2.gz LPGMPBAMEPOJCQ-UHFFFAOYSA-N 1 2 326.440 3.746 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246577271 1028662490 /nfs/dbraw/zinc/66/24/90/1028662490.db2.gz XXPCKNXZCDEKJC-MXHNKVEKSA-N 1 2 330.472 3.671 20 0 EHADLO O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728540444 1028675127 /nfs/dbraw/zinc/67/51/27/1028675127.db2.gz ANPCWDLGVCATHL-ZDUSSCGKSA-N 1 2 337.395 3.675 20 0 EHADLO CCOc1ccc(Oc2cc(C[NH2+]Cc3cc(C)on3)ccn2)cc1 ZINC000459384797 1028715312 /nfs/dbraw/zinc/71/53/12/1028715312.db2.gz GWLIFNFZSBSQRM-UHFFFAOYSA-N 1 2 339.395 3.859 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000246943058 1028715597 /nfs/dbraw/zinc/71/55/97/1028715597.db2.gz AORUXZURBJCCAJ-XBFCOCLRSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000246943058 1028715612 /nfs/dbraw/zinc/71/56/12/1028715612.db2.gz AORUXZURBJCCAJ-XBFCOCLRSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCSc3c(F)cccc32)c[nH+]1 ZINC000454339015 1028768849 /nfs/dbraw/zinc/76/88/49/1028768849.db2.gz OJCSYLDYAFYSPM-INIZCTEOSA-N 1 2 345.443 3.874 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000428403323 1028776225 /nfs/dbraw/zinc/77/62/25/1028776225.db2.gz AFICMXUUOSNOIC-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000428403323 1028776240 /nfs/dbraw/zinc/77/62/40/1028776240.db2.gz AFICMXUUOSNOIC-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000583087402 1028780314 /nfs/dbraw/zinc/78/03/14/1028780314.db2.gz UEXIFARPYUBBKK-KSSFIOAISA-N 1 2 327.403 3.726 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1nc3ccccc3n1C)C2 ZINC000532741479 1028783530 /nfs/dbraw/zinc/78/35/30/1028783530.db2.gz XLXLINXRQYCHQR-UHFFFAOYSA-N 1 2 335.451 3.920 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1nc3ccccc3n1C)C2 ZINC000532741479 1028783542 /nfs/dbraw/zinc/78/35/42/1028783542.db2.gz XLXLINXRQYCHQR-UHFFFAOYSA-N 1 2 335.451 3.920 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000245544564 1028798020 /nfs/dbraw/zinc/79/80/20/1028798020.db2.gz LGGRJCZRKAPVJW-JCQPUDPBSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000245544564 1028798035 /nfs/dbraw/zinc/79/80/35/1028798035.db2.gz LGGRJCZRKAPVJW-JCQPUDPBSA-N 1 2 328.437 3.758 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](c4c(F)cccc4F)C3)ccn12 ZINC000583093557 1028800659 /nfs/dbraw/zinc/80/06/59/1028800659.db2.gz MFWSJDPKAOMPRK-CQSZACIVSA-N 1 2 341.361 3.551 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 ZINC000247595623 1028804995 /nfs/dbraw/zinc/80/49/95/1028804995.db2.gz SGVUHBDXVAUXJJ-AGIUHOORSA-N 1 2 349.475 3.761 20 0 EHADLO OC[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)CC[C@@H]1c1ccccc1 ZINC000664376640 1028821193 /nfs/dbraw/zinc/82/11/93/1028821193.db2.gz PHZJNYLXYPQWPC-PKOBYXMFSA-N 1 2 336.410 3.976 20 0 EHADLO CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000685079572 1028832837 /nfs/dbraw/zinc/83/28/37/1028832837.db2.gz WENSXYLVYWMBJM-QGZVFWFLSA-N 1 2 338.411 3.958 20 0 EHADLO CCC(C)(C)c1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000532784565 1028835077 /nfs/dbraw/zinc/83/50/77/1028835077.db2.gz ZRBIOQFRGGJHLF-UHFFFAOYSA-N 1 2 342.487 3.850 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncccc1NCC1CCC1 ZINC001625981791 1028886381 /nfs/dbraw/zinc/88/63/81/1028886381.db2.gz MZHCRZIILBYKFE-UHFFFAOYSA-N 1 2 347.422 3.936 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](CC(F)F)c2ccccc2)s1 ZINC000421882358 1028886977 /nfs/dbraw/zinc/88/69/77/1028886977.db2.gz RYZKRJVONWOPFP-ZYHUDNBSSA-N 1 2 340.395 3.977 20 0 EHADLO CCn1c[nH+]cc1CNc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000424214626 1028906187 /nfs/dbraw/zinc/90/61/87/1028906187.db2.gz YPBJJGGZAFKZRI-UHFFFAOYSA-N 1 2 333.798 3.552 20 0 EHADLO O=S(=O)(CCCC1CCCC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445547263 1028907469 /nfs/dbraw/zinc/90/74/69/1028907469.db2.gz GHMXDPKXAFXNIJ-UHFFFAOYSA-N 1 2 346.496 3.817 20 0 EHADLO CCCCOc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC ZINC000414558519 1028914337 /nfs/dbraw/zinc/91/43/37/1028914337.db2.gz RZJMDHSZTJEPAW-UHFFFAOYSA-N 1 2 347.484 3.893 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)s1 ZINC000424330043 1028978779 /nfs/dbraw/zinc/97/87/79/1028978779.db2.gz QBXUWQCDIKFXDH-SCZZXKLOSA-N 1 2 339.486 3.669 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000249056521 1028982568 /nfs/dbraw/zinc/98/25/68/1028982568.db2.gz IYJKAIWBKJFNDE-UHOFOFEASA-N 1 2 329.362 3.646 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000249056521 1028982582 /nfs/dbraw/zinc/98/25/82/1028982582.db2.gz IYJKAIWBKJFNDE-UHOFOFEASA-N 1 2 329.362 3.646 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000123680770 1028993253 /nfs/dbraw/zinc/99/32/53/1028993253.db2.gz VLNPWDNAKSOGTK-XJKSGUPXSA-N 1 2 329.469 3.547 20 0 EHADLO C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000154113913 1029011288 /nfs/dbraw/zinc/01/12/88/1029011288.db2.gz OLYOLOHUSQIRKX-YOEHRIQHSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000154113913 1029011305 /nfs/dbraw/zinc/01/13/05/1029011305.db2.gz OLYOLOHUSQIRKX-YOEHRIQHSA-N 1 2 344.434 3.530 20 0 EHADLO c1csc(N2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000154093623 1029016929 /nfs/dbraw/zinc/01/69/29/1029016929.db2.gz ZKSXXMSSWWJLDF-UHFFFAOYSA-N 1 2 343.500 3.609 20 0 EHADLO c1csc(N2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000154093623 1029016945 /nfs/dbraw/zinc/01/69/45/1029016945.db2.gz ZKSXXMSSWWJLDF-UHFFFAOYSA-N 1 2 343.500 3.609 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000532903668 1029018355 /nfs/dbraw/zinc/01/83/55/1029018355.db2.gz PDRWHPUZNOEZHI-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000532903668 1029018369 /nfs/dbraw/zinc/01/83/69/1029018369.db2.gz PDRWHPUZNOEZHI-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000524256970 1029026144 /nfs/dbraw/zinc/02/61/44/1029026144.db2.gz FYVKLAXKNMTGJK-WUTDNEBXSA-N 1 2 348.490 3.956 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c(F)c1 ZINC000249902630 1029031324 /nfs/dbraw/zinc/03/13/24/1029031324.db2.gz UFPYDGYCSULIGS-ZIAGYGMSSA-N 1 2 347.459 3.797 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c(F)c1 ZINC000249902630 1029031341 /nfs/dbraw/zinc/03/13/41/1029031341.db2.gz UFPYDGYCSULIGS-ZIAGYGMSSA-N 1 2 347.459 3.797 20 0 EHADLO C[C@H]1CC[C@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123865113 1029055705 /nfs/dbraw/zinc/05/57/05/1029055705.db2.gz FURBUGYAOBNQOQ-HOTGVXAUSA-N 1 2 327.428 3.727 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3ccc(Br)cc32)n1 ZINC000393322183 1029062098 /nfs/dbraw/zinc/06/20/98/1029062098.db2.gz NLJOQJVNZDQTRZ-CYBMUJFWSA-N 1 2 340.652 3.613 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(F)c2ccccc21 ZINC000614901396 1029081944 /nfs/dbraw/zinc/08/19/44/1029081944.db2.gz GLGAQHWLCWWFRB-CSMYWGQOSA-N 1 2 337.398 3.693 20 0 EHADLO CN1CC[N@H+](Cc2ccc(F)c3cccnc23)[C@H](c2ccccc2)C1 ZINC000532934613 1029098682 /nfs/dbraw/zinc/09/86/82/1029098682.db2.gz LXHLQTFFNVHBSG-FQEVSTJZSA-N 1 2 335.426 3.863 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(F)c3cccnc23)[C@H](c2ccccc2)C1 ZINC000532934613 1029098700 /nfs/dbraw/zinc/09/87/00/1029098700.db2.gz LXHLQTFFNVHBSG-FQEVSTJZSA-N 1 2 335.426 3.863 20 0 EHADLO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271739492 1029148119 /nfs/dbraw/zinc/14/81/19/1029148119.db2.gz UZKQTXNTPKOYGF-SECBINFHSA-N 1 2 340.761 3.753 20 0 EHADLO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271739494 1029148139 /nfs/dbraw/zinc/14/81/39/1029148139.db2.gz UZKQTXNTPKOYGF-VIFPVBQESA-N 1 2 340.761 3.753 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc2n1CCCC2 ZINC000271774041 1029165567 /nfs/dbraw/zinc/16/55/67/1029165567.db2.gz JMDZANCORXQCGK-QGZVFWFLSA-N 1 2 342.487 3.890 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[C@H](F)C3)n2)C1 ZINC000424610830 1029169097 /nfs/dbraw/zinc/16/90/97/1029169097.db2.gz QIOMGTBLSHUOHX-RDBSUJKOSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[C@H](F)C3)n2)C1 ZINC000424610830 1029169107 /nfs/dbraw/zinc/16/91/07/1029169107.db2.gz QIOMGTBLSHUOHX-RDBSUJKOSA-N 1 2 339.480 3.842 20 0 EHADLO Cc1cccc2c(C(=O)NC3CCN(c4cccc[nH+]4)CC3)coc21 ZINC000424589085 1029172299 /nfs/dbraw/zinc/17/22/99/1029172299.db2.gz JBMDIUZTAIZTTO-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cs1 ZINC000252442306 1029185656 /nfs/dbraw/zinc/18/56/56/1029185656.db2.gz UXHRZPMKAHNWDJ-RDBSUJKOSA-N 1 2 343.496 3.722 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000154482247 1029198738 /nfs/dbraw/zinc/19/87/38/1029198738.db2.gz PGLDWCKTTJNEMO-LJQANCHMSA-N 1 2 349.425 3.839 20 0 EHADLO COCCc1ccccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343104138 1029202943 /nfs/dbraw/zinc/20/29/43/1029202943.db2.gz IGOCYNBAKTZDGO-SFHVURJKSA-N 1 2 349.434 3.759 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[C@@H](F)C1 ZINC000424614193 1029204229 /nfs/dbraw/zinc/20/42/29/1029204229.db2.gz VWRLNRKSJFTENU-QWHCGFSZSA-N 1 2 325.453 3.596 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC000424645000 1029208496 /nfs/dbraw/zinc/20/84/96/1029208496.db2.gz NLNWGVULGMPCOT-OIISXLGYSA-N 1 2 334.435 3.547 20 0 EHADLO C[C@@H](C[N@@H+]1CCC[C@H]1c1nncn1C)c1cccc(Br)c1 ZINC000245744324 1029229304 /nfs/dbraw/zinc/22/93/04/1029229304.db2.gz MLVYPCFBMXDESJ-WFASDCNBSA-N 1 2 349.276 3.518 20 0 EHADLO C[C@@H](C[N@H+]1CCC[C@H]1c1nncn1C)c1cccc(Br)c1 ZINC000245744324 1029229319 /nfs/dbraw/zinc/22/93/19/1029229319.db2.gz MLVYPCFBMXDESJ-WFASDCNBSA-N 1 2 349.276 3.518 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H](C)C2CCCC2)c1)[NH+]1CCOCC1 ZINC000454734093 1029245392 /nfs/dbraw/zinc/24/53/92/1029245392.db2.gz HUZMTSFQGKEMJK-JKSUJKDBSA-N 1 2 345.487 3.780 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000454734092 1029246144 /nfs/dbraw/zinc/24/61/44/1029246144.db2.gz HUZMTSFQGKEMJK-HZPDHXFCSA-N 1 2 345.487 3.780 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+](C)[C@H](CO)c3ccccc3)o2)cc1 ZINC000343113546 1029256442 /nfs/dbraw/zinc/25/64/42/1029256442.db2.gz GAZPNMRHNNNHLT-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+](C)[C@H](CO)c3ccccc3)o2)cc1 ZINC000343113546 1029256455 /nfs/dbraw/zinc/25/64/55/1029256455.db2.gz GAZPNMRHNNNHLT-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc(OC(C)C)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454750503 1029268236 /nfs/dbraw/zinc/26/82/36/1029268236.db2.gz ZLRAWBJJCXJAPF-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000424719825 1029271128 /nfs/dbraw/zinc/27/11/28/1029271128.db2.gz JHDLZFYAHROZPF-NLWGTHIKSA-N 1 2 339.483 3.870 20 0 EHADLO CSc1ccc(C)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000272084507 1029304324 /nfs/dbraw/zinc/30/43/24/1029304324.db2.gz LZKYQWAOQYWLRO-UHFFFAOYSA-N 1 2 330.457 3.736 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000154793563 1029317089 /nfs/dbraw/zinc/31/70/89/1029317089.db2.gz NVLMGEHRLKZBIJ-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000154793563 1029317106 /nfs/dbraw/zinc/31/71/06/1029317106.db2.gz NVLMGEHRLKZBIJ-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1C ZINC000245813351 1029330340 /nfs/dbraw/zinc/33/03/40/1029330340.db2.gz ZTCCLILPPPGJOK-SCLBCKFNSA-N 1 2 333.501 3.933 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1C ZINC000245813351 1029330353 /nfs/dbraw/zinc/33/03/53/1029330353.db2.gz ZTCCLILPPPGJOK-SCLBCKFNSA-N 1 2 333.501 3.933 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2)no1 ZINC000583230855 1029331946 /nfs/dbraw/zinc/33/19/46/1029331946.db2.gz DDJMBBCVBCQYDA-UHFFFAOYSA-N 1 2 343.210 3.793 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(CC(F)(F)F)CC2)c[nH+]1 ZINC000455580104 1029341463 /nfs/dbraw/zinc/34/14/63/1029341463.db2.gz WQPUDHSOAAMJSA-UHFFFAOYSA-N 1 2 329.366 3.572 20 0 EHADLO Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000272203149 1029357948 /nfs/dbraw/zinc/35/79/48/1029357948.db2.gz AZYLQCTZZQALHJ-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000424820947 1029364342 /nfs/dbraw/zinc/36/43/42/1029364342.db2.gz MBJYAWQLZROXSF-SOLBZPMBSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c[nH+]1 ZINC000455582587 1029364586 /nfs/dbraw/zinc/36/45/86/1029364586.db2.gz ZLMCRGPPDYOKML-GXTWGEPZSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505231534 1029384940 /nfs/dbraw/zinc/38/49/40/1029384940.db2.gz SINOTKNLBRNMHC-UHFFFAOYSA-N 1 2 337.423 3.886 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc(Cl)c2)no1 ZINC001211571616 1029390050 /nfs/dbraw/zinc/39/00/50/1029390050.db2.gz VSUUGCOJAWOSSE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc(Cl)c2)no1 ZINC001211571616 1029390055 /nfs/dbraw/zinc/39/00/55/1029390055.db2.gz VSUUGCOJAWOSSE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000079941410 1029394369 /nfs/dbraw/zinc/39/43/69/1029394369.db2.gz SBKASTIQTGJHHC-NVXWUHKLSA-N 1 2 328.460 3.667 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000272323696 1029415984 /nfs/dbraw/zinc/41/59/84/1029415984.db2.gz ZLHAHIDJPDMJLR-VIFPVBQESA-N 1 2 327.302 3.677 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000272323696 1029415992 /nfs/dbraw/zinc/41/59/92/1029415992.db2.gz ZLHAHIDJPDMJLR-VIFPVBQESA-N 1 2 327.302 3.677 20 0 EHADLO CC[C@H](C)Oc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272351397 1029429345 /nfs/dbraw/zinc/42/93/45/1029429345.db2.gz AKUFZLSYUUZWJH-WMLDXEAASA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@H](C)Oc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272351397 1029429356 /nfs/dbraw/zinc/42/93/56/1029429356.db2.gz AKUFZLSYUUZWJH-WMLDXEAASA-N 1 2 345.443 3.696 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnc(Cc4ccccc4)s3)ccc2[nH+]1 ZINC000446150496 1029436516 /nfs/dbraw/zinc/43/65/16/1029436516.db2.gz YDTHHQKRKWICOR-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO Cc1cccc(C2(C(=O)NCCCn3cc[nH+]c3)CCCCC2)c1 ZINC000078761876 1029440787 /nfs/dbraw/zinc/44/07/87/1029440787.db2.gz LQWRPDIDXKAZQG-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)sc1C ZINC000533221715 1029485212 /nfs/dbraw/zinc/48/52/12/1029485212.db2.gz OLQRDLJZSUQFQT-MRXNPFEDSA-N 1 2 347.459 3.929 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)sc1C ZINC000533221715 1029485220 /nfs/dbraw/zinc/48/52/20/1029485220.db2.gz OLQRDLJZSUQFQT-MRXNPFEDSA-N 1 2 347.459 3.929 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc4sccc4c3)n2)C1 ZINC000272605267 1029530279 /nfs/dbraw/zinc/53/02/79/1029530279.db2.gz HRRKTEKBQFAHFY-AWEZNQCLSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc4sccc4c3)n2)C1 ZINC000272605267 1029530294 /nfs/dbraw/zinc/53/02/94/1029530294.db2.gz HRRKTEKBQFAHFY-AWEZNQCLSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)C[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434300237 1029553993 /nfs/dbraw/zinc/55/39/93/1029553993.db2.gz YDVVDXGWPIIKMK-HNNXBMFYSA-N 1 2 332.492 3.543 20 0 EHADLO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278182404 1029557557 /nfs/dbraw/zinc/55/75/57/1029557557.db2.gz VKIFRBXUFVPGOL-MAUKXSAKSA-N 1 2 335.407 3.816 20 0 EHADLO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278182404 1029557575 /nfs/dbraw/zinc/55/75/75/1029557575.db2.gz VKIFRBXUFVPGOL-MAUKXSAKSA-N 1 2 335.407 3.816 20 0 EHADLO CCCOc1cccc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000434316156 1029566212 /nfs/dbraw/zinc/56/62/12/1029566212.db2.gz LKAYBTLIJIOBBQ-UHFFFAOYSA-N 1 2 349.434 3.634 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[C@H](C)C1 ZINC000524968919 1029638963 /nfs/dbraw/zinc/63/89/63/1029638963.db2.gz FOGBBVUWMHSSNQ-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475642828 1029643639 /nfs/dbraw/zinc/64/36/39/1029643639.db2.gz VMOPSALVALDYGU-LJQANCHMSA-N 1 2 344.480 3.580 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475642828 1029643645 /nfs/dbraw/zinc/64/36/45/1029643645.db2.gz VMOPSALVALDYGU-LJQANCHMSA-N 1 2 344.480 3.580 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000150911900 1029664834 /nfs/dbraw/zinc/66/48/34/1029664834.db2.gz WDKXYLNHBGBSDL-UHFFFAOYSA-N 1 2 339.418 3.701 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000583348717 1029678138 /nfs/dbraw/zinc/67/81/38/1029678138.db2.gz BTVGEPKIKRELMC-UYAOXDASSA-N 1 2 345.414 3.774 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000583348717 1029678140 /nfs/dbraw/zinc/67/81/40/1029678140.db2.gz BTVGEPKIKRELMC-UYAOXDASSA-N 1 2 345.414 3.774 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)c2ccccc12 ZINC000359093497 1029680562 /nfs/dbraw/zinc/68/05/62/1029680562.db2.gz ZZTRSXCOQWGWLJ-UHFFFAOYSA-N 1 2 349.409 3.904 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)[nH+]1 ZINC000544414181 1029693153 /nfs/dbraw/zinc/69/31/53/1029693153.db2.gz TYPKNUYLMVFUSY-GOEBONIOSA-N 1 2 326.375 3.738 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000126292856 1029696001 /nfs/dbraw/zinc/69/60/01/1029696001.db2.gz KZMMLBGPZREDKH-AIRUHKMPSA-N 1 2 346.434 3.554 20 0 EHADLO CCC[N@H+](Cc1noc(CC)n1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126340 1029698976 /nfs/dbraw/zinc/69/89/76/1029698976.db2.gz XLYSGSULLIPNHZ-JKSUJKDBSA-N 1 2 335.492 3.972 20 0 EHADLO CCC[N@@H+](Cc1noc(CC)n1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525126340 1029698980 /nfs/dbraw/zinc/69/89/80/1029698980.db2.gz XLYSGSULLIPNHZ-JKSUJKDBSA-N 1 2 335.492 3.972 20 0 EHADLO OCC[N@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCCc2ccccc21 ZINC000114722768 1029712834 /nfs/dbraw/zinc/71/28/34/1029712834.db2.gz WVUBNIUMRMOMMD-IBGZPJMESA-N 1 2 349.434 3.609 20 0 EHADLO OCC[N@@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCCc2ccccc21 ZINC000114722768 1029712841 /nfs/dbraw/zinc/71/28/41/1029712841.db2.gz WVUBNIUMRMOMMD-IBGZPJMESA-N 1 2 349.434 3.609 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2nc3cc(F)ccc3o2)c(C)c1 ZINC000634949076 1029750933 /nfs/dbraw/zinc/75/09/33/1029750933.db2.gz GTQUHRKONPGFGT-UHFFFAOYSA-N 1 2 341.386 3.620 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)CN1C(=O)CC2(CCCC2)C1=O ZINC000054513756 1029762595 /nfs/dbraw/zinc/76/25/95/1029762595.db2.gz HDUUEBQQTLQSCS-UHFFFAOYSA-N 1 2 342.464 3.610 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)CN1C(=O)CC2(CCCC2)C1=O ZINC000054513756 1029762603 /nfs/dbraw/zinc/76/26/03/1029762603.db2.gz HDUUEBQQTLQSCS-UHFFFAOYSA-N 1 2 342.464 3.610 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428628703 1029775152 /nfs/dbraw/zinc/77/51/52/1029775152.db2.gz YSHYLDOVPVEBSL-IAGOWNOFSA-N 1 2 332.492 3.576 20 0 EHADLO OC[C@]1(CNc2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1c1ccc(F)cc1 ZINC000343218510 1029788416 /nfs/dbraw/zinc/78/84/16/1029788416.db2.gz SZOWOGABUBFOED-GDBMZVCRSA-N 1 2 340.320 3.818 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525329162 1029795587 /nfs/dbraw/zinc/79/55/87/1029795587.db2.gz HAMSYCFPCCRCQK-AWEZNQCLSA-N 1 2 340.854 3.676 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525329162 1029795591 /nfs/dbraw/zinc/79/55/91/1029795591.db2.gz HAMSYCFPCCRCQK-AWEZNQCLSA-N 1 2 340.854 3.676 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001211580182 1029814585 /nfs/dbraw/zinc/81/45/85/1029814585.db2.gz OUPSLPROJWMQSH-OAHLLOKOSA-N 1 2 342.349 3.511 20 0 EHADLO FC(F)(F)c1nc2ccccc2c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000728567227 1029818883 /nfs/dbraw/zinc/81/88/83/1029818883.db2.gz PGDDSPHFMBRLEG-GFCCVEGCSA-N 1 2 347.344 3.687 20 0 EHADLO CC(C)[C@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000446851615 1029819872 /nfs/dbraw/zinc/81/98/72/1029819872.db2.gz DMUZQPWWMVCGHR-WMZOPIPTSA-N 1 2 345.487 3.590 20 0 EHADLO Cc1cccc(CCCNc2nc(C(F)F)nc3ccccc32)[nH+]1 ZINC000343232459 1029837096 /nfs/dbraw/zinc/83/70/96/1029837096.db2.gz DSHRYBJYHOUPNN-UHFFFAOYSA-N 1 2 328.366 3.737 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cs1 ZINC000156452059 1029841502 /nfs/dbraw/zinc/84/15/02/1029841502.db2.gz RPUOMRIHGCGDBT-NSHDSACASA-N 1 2 347.875 3.790 20 0 EHADLO COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162717872 1029858646 /nfs/dbraw/zinc/85/86/46/1029858646.db2.gz VLDGTDVDGCINGG-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCSc1ccccc1)c1ccccc1 ZINC000536041962 1029876164 /nfs/dbraw/zinc/87/61/64/1029876164.db2.gz MFEHGTLEKYFQDW-GOSISDBHSA-N 1 2 341.476 3.753 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCSc1ccccc1)c1ccccc1 ZINC000536041962 1029876172 /nfs/dbraw/zinc/87/61/72/1029876172.db2.gz MFEHGTLEKYFQDW-GOSISDBHSA-N 1 2 341.476 3.753 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000455764302 1029904658 /nfs/dbraw/zinc/90/46/58/1029904658.db2.gz CZSWBHNUGSXSDK-ZDUSSCGKSA-N 1 2 346.381 3.594 20 0 EHADLO Cc1sc2nc(C)nc(N(C)Cc3cn4c([nH+]3)CCCC4)c2c1C ZINC000428682583 1029920293 /nfs/dbraw/zinc/92/02/93/1029920293.db2.gz RVVKKBOFMKJRJI-UHFFFAOYSA-N 1 2 341.484 3.786 20 0 EHADLO CCc1nnc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000892339808 1029937061 /nfs/dbraw/zinc/93/70/61/1029937061.db2.gz MOXNSZSFJMJBCU-UHFFFAOYSA-N 1 2 339.468 3.912 20 0 EHADLO CC(C)(C)c1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000429714663 1029946984 /nfs/dbraw/zinc/94/69/84/1029946984.db2.gz YBTXSZMILWVJHP-UHFFFAOYSA-N 1 2 347.890 3.943 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000120212830 1029948182 /nfs/dbraw/zinc/94/81/82/1029948182.db2.gz MGYNOIMCZBEKHD-SFHVURJKSA-N 1 2 330.497 3.981 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000120212830 1029948199 /nfs/dbraw/zinc/94/81/99/1029948199.db2.gz MGYNOIMCZBEKHD-SFHVURJKSA-N 1 2 330.497 3.981 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H](C)C1CCCCC1 ZINC000481790549 1029965872 /nfs/dbraw/zinc/96/58/72/1029965872.db2.gz ULFDYMFAHVIXDT-HUUCEWRRSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)ncn1 ZINC000428472223 1030001395 /nfs/dbraw/zinc/00/13/95/1030001395.db2.gz GNUGEXDYQFSOBI-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)ncn1 ZINC000428472223 1030001410 /nfs/dbraw/zinc/00/14/10/1030001410.db2.gz GNUGEXDYQFSOBI-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000600586085 1030023695 /nfs/dbraw/zinc/02/36/95/1030023695.db2.gz LHTKTVFAUNJIFM-UHFFFAOYSA-N 1 2 339.798 3.780 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000120570965 1030067575 /nfs/dbraw/zinc/06/75/75/1030067575.db2.gz JZMVWXMPOYYBIO-XLIONFOSSA-N 1 2 338.451 3.954 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H]2CCc3ccc(Cl)cc32)n1 ZINC000453306469 1030075527 /nfs/dbraw/zinc/07/55/27/1030075527.db2.gz JRLQEENSBWSECM-ZDUSSCGKSA-N 1 2 340.652 3.613 20 0 EHADLO CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090512230 1030134498 /nfs/dbraw/zinc/13/44/98/1030134498.db2.gz AXCOXVQWCODWJT-MRXNPFEDSA-N 1 2 348.468 3.510 20 0 EHADLO CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090512230 1030134503 /nfs/dbraw/zinc/13/45/03/1030134503.db2.gz AXCOXVQWCODWJT-MRXNPFEDSA-N 1 2 348.468 3.510 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](c1ccccc1)C(F)F)C2 ZINC000481966426 1030139298 /nfs/dbraw/zinc/13/92/98/1030139298.db2.gz TZVLRINXSSOFCS-CZUORRHYSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](c1ccccc1)C(F)F)CC2 ZINC000481966426 1030139314 /nfs/dbraw/zinc/13/93/14/1030139314.db2.gz TZVLRINXSSOFCS-CZUORRHYSA-N 1 2 347.409 3.761 20 0 EHADLO Cc1cc2[nH]c(C[NH+]3CCN(Cc4cccc(O)c4)CC3)cc2c(C)c1 ZINC000482010788 1030163095 /nfs/dbraw/zinc/16/30/95/1030163095.db2.gz YAAWBJBRQMMNGT-UHFFFAOYSA-N 1 2 349.478 3.808 20 0 EHADLO Brc1cncc(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000157903027 1030165919 /nfs/dbraw/zinc/16/59/19/1030165919.db2.gz OXQPVKPFGWZKAK-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO CCc1ncc(C[NH2+][C@H](C)c2ccc(Br)cc2F)o1 ZINC000453402369 1030212493 /nfs/dbraw/zinc/21/24/93/1030212493.db2.gz ZZMCKGGFTJQBSM-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO O=c1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)occ1O ZINC000278341739 1030266553 /nfs/dbraw/zinc/26/65/53/1030266553.db2.gz PIDVBTHRPRQYCU-UHFFFAOYSA-N 1 2 340.206 3.821 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)o1 ZINC000657773903 1030269856 /nfs/dbraw/zinc/26/98/56/1030269856.db2.gz VUYVJNNPTISERR-AWEZNQCLSA-N 1 2 330.211 3.556 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)c(C)c1 ZINC000121509535 1030284274 /nfs/dbraw/zinc/28/42/74/1030284274.db2.gz ZYNQMTTXEHDUIO-MRXNPFEDSA-N 1 2 343.496 3.514 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(OC3CC3)c1F)n2C ZINC000667996953 1030316881 /nfs/dbraw/zinc/31/68/81/1030316881.db2.gz BOAWOUBNKVJGMU-UHFFFAOYSA-N 1 2 339.414 3.852 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091867254 1030323701 /nfs/dbraw/zinc/32/37/01/1030323701.db2.gz GWFDAXLSHASBRR-CYBMUJFWSA-N 1 2 345.418 3.828 20 0 EHADLO C[C@@H]1C[N@H+](CCN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726958 1030383858 /nfs/dbraw/zinc/38/38/58/1030383858.db2.gz WGEYCGWJMJAAAU-DYVFJYSZSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H]1C[N@@H+](CCN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726958 1030383875 /nfs/dbraw/zinc/38/38/75/1030383875.db2.gz WGEYCGWJMJAAAU-DYVFJYSZSA-N 1 2 343.298 3.851 20 0 EHADLO CCc1nnc(C[NH2+]Cc2sc(C)cc2Br)s1 ZINC000453591119 1030384647 /nfs/dbraw/zinc/38/46/47/1030384647.db2.gz GITTXNRZNRTDMO-UHFFFAOYSA-N 1 2 332.292 3.523 20 0 EHADLO CN(Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1F ZINC000526083647 1030406328 /nfs/dbraw/zinc/40/63/28/1030406328.db2.gz IKZCLGBXZPSQDK-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc(C(=O)OC)c3)CCO2)cc1 ZINC000482445451 1030425013 /nfs/dbraw/zinc/42/50/13/1030425013.db2.gz BIWOWGSZUBBAQF-FQEVSTJZSA-N 1 2 339.435 3.609 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc(C(=O)OC)c3)CCO2)cc1 ZINC000482445451 1030425022 /nfs/dbraw/zinc/42/50/22/1030425022.db2.gz BIWOWGSZUBBAQF-FQEVSTJZSA-N 1 2 339.435 3.609 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCc1cccs1 ZINC000526120498 1030443498 /nfs/dbraw/zinc/44/34/98/1030443498.db2.gz XQZSRHGJQJDPKP-INIZCTEOSA-N 1 2 337.872 3.708 20 0 EHADLO Clc1cccc2c1CC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000532225789 1030489993 /nfs/dbraw/zinc/48/99/93/1030489993.db2.gz SEPOCARJAUJUPQ-GFCCVEGCSA-N 1 2 326.625 3.603 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(Br)s2)c(C)n1 ZINC000866616859 1030506119 /nfs/dbraw/zinc/50/61/19/1030506119.db2.gz VLLPOCULBOTNNP-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CC1(C)CC[N@H+](Cc2c(F)cncc2Br)CCS1 ZINC000668083092 1030562728 /nfs/dbraw/zinc/56/27/28/1030562728.db2.gz AVMYTXIGLJYNIR-UHFFFAOYSA-N 1 2 333.270 3.701 20 0 EHADLO CC1(C)CC[N@@H+](Cc2c(F)cncc2Br)CCS1 ZINC000668083092 1030562739 /nfs/dbraw/zinc/56/27/39/1030562739.db2.gz AVMYTXIGLJYNIR-UHFFFAOYSA-N 1 2 333.270 3.701 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000532348748 1030575143 /nfs/dbraw/zinc/57/51/43/1030575143.db2.gz NTRPJJACQQKOMD-ZJPYXAASSA-N 1 2 332.492 3.835 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1F ZINC000343375926 1030575218 /nfs/dbraw/zinc/57/52/18/1030575218.db2.gz REKBQDIKQDZARC-CQSZACIVSA-N 1 2 338.386 3.598 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363865 1030592363 /nfs/dbraw/zinc/59/23/63/1030592363.db2.gz KONIQZJGHCEOCB-UHFFFAOYSA-N 1 2 345.450 3.904 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363865 1030592367 /nfs/dbraw/zinc/59/23/67/1030592367.db2.gz KONIQZJGHCEOCB-UHFFFAOYSA-N 1 2 345.450 3.904 20 0 EHADLO CC[N@H+](Cc1ccc(C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000193604475 1030593362 /nfs/dbraw/zinc/59/33/62/1030593362.db2.gz GSWZJAHACRLHQX-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO CC[N@@H+](Cc1ccc(C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000193604475 1030593369 /nfs/dbraw/zinc/59/33/69/1030593369.db2.gz GSWZJAHACRLHQX-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000447931422 1030609353 /nfs/dbraw/zinc/60/93/53/1030609353.db2.gz OTVVGUSPWCASJH-OAHLLOKOSA-N 1 2 345.512 3.750 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093457795 1030615863 /nfs/dbraw/zinc/61/58/63/1030615863.db2.gz NPDFLZMBALEKFV-FQEVSTJZSA-N 1 2 349.434 3.664 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093457795 1030615874 /nfs/dbraw/zinc/61/58/74/1030615874.db2.gz NPDFLZMBALEKFV-FQEVSTJZSA-N 1 2 349.434 3.664 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1OC ZINC000093637622 1030643117 /nfs/dbraw/zinc/64/31/17/1030643117.db2.gz HJDMQDLIBTWHEL-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1OC ZINC000093637622 1030643128 /nfs/dbraw/zinc/64/31/28/1030643128.db2.gz HJDMQDLIBTWHEL-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO Cn1nccc1[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000448025963 1030657479 /nfs/dbraw/zinc/65/74/79/1030657479.db2.gz GMXCDQFGIVORNB-DLBZAZTESA-N 1 2 339.487 3.944 20 0 EHADLO C[C@H](CCn1cccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278406435 1030658717 /nfs/dbraw/zinc/65/87/17/1030658717.db2.gz HDHVLXWAJPYJEJ-MRXNPFEDSA-N 1 2 335.455 3.974 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000170650897 1030693373 /nfs/dbraw/zinc/69/33/73/1030693373.db2.gz OPJADFJKYTYPLZ-CYBMUJFWSA-N 1 2 332.423 3.970 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@](F)(c3ccccc3C)C2)c(C)c[nH+]1 ZINC000548809840 1030712037 /nfs/dbraw/zinc/71/20/37/1030712037.db2.gz AUKXPNUTFZTHDI-LJQANCHMSA-N 1 2 327.403 3.531 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000246998591 1030815218 /nfs/dbraw/zinc/81/52/18/1030815218.db2.gz CZBJUEKSGDPTGQ-BQFCYCMXSA-N 1 2 326.444 3.545 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000172168587 1030842905 /nfs/dbraw/zinc/84/29/05/1030842905.db2.gz KWIFRXXHJCUXRD-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000172168587 1030842920 /nfs/dbraw/zinc/84/29/20/1030842920.db2.gz KWIFRXXHJCUXRD-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)c(C)c1 ZINC000527359452 1030851332 /nfs/dbraw/zinc/85/13/32/1030851332.db2.gz SQAREZMMWXKRQY-SFHVURJKSA-N 1 2 325.387 3.745 20 0 EHADLO Fc1ccsc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000550982616 1030855160 /nfs/dbraw/zinc/85/51/60/1030855160.db2.gz RHXKAWQGWKYHLZ-CQSZACIVSA-N 1 2 345.399 3.511 20 0 EHADLO Fc1ccsc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000550982616 1030855183 /nfs/dbraw/zinc/85/51/83/1030855183.db2.gz RHXKAWQGWKYHLZ-CQSZACIVSA-N 1 2 345.399 3.511 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1OC1CC1 ZINC000668181020 1030856972 /nfs/dbraw/zinc/85/69/72/1030856972.db2.gz FIZXGSPYNQWJGR-CQSZACIVSA-N 1 2 335.810 3.664 20 0 EHADLO Fc1c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1OC1CC1 ZINC000668181020 1030856995 /nfs/dbraw/zinc/85/69/95/1030856995.db2.gz FIZXGSPYNQWJGR-CQSZACIVSA-N 1 2 335.810 3.664 20 0 EHADLO CCOc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1C ZINC000172015945 1030862622 /nfs/dbraw/zinc/86/26/22/1030862622.db2.gz KJVCMQLLESJDHP-UHFFFAOYSA-N 1 2 342.439 3.686 20 0 EHADLO Cc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000096966553 1030867930 /nfs/dbraw/zinc/86/79/30/1030867930.db2.gz OXCBGVTUYBPRMX-UHFFFAOYSA-N 1 2 346.425 3.509 20 0 EHADLO Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c2nnc[nH]2)cc1 ZINC000550999690 1030877430 /nfs/dbraw/zinc/87/74/30/1030877430.db2.gz TYEXTMZGVVGACF-UWIFEVILSA-N 1 2 328.435 3.982 20 0 EHADLO CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000080538228 1030920490 /nfs/dbraw/zinc/92/04/90/1030920490.db2.gz RIBJENJJZIQVEP-GOSISDBHSA-N 1 2 343.471 3.822 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000483036936 1030921759 /nfs/dbraw/zinc/92/17/59/1030921759.db2.gz PPJSJZWGSOTCIH-FUHWJXTLSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000483036936 1030921765 /nfs/dbraw/zinc/92/17/65/1030921765.db2.gz PPJSJZWGSOTCIH-FUHWJXTLSA-N 1 2 339.863 3.835 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)[C@@H]1c1ccccc1 ZINC000483055437 1030932233 /nfs/dbraw/zinc/93/22/33/1030932233.db2.gz HSYOIIANHNXMPZ-YWZLYKJASA-N 1 2 338.476 3.818 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)[C@@H]1c1ccccc1 ZINC000483055437 1030932246 /nfs/dbraw/zinc/93/22/46/1030932246.db2.gz HSYOIIANHNXMPZ-YWZLYKJASA-N 1 2 338.476 3.818 20 0 EHADLO C[C@H]1CC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)C1 ZINC000172375544 1030950123 /nfs/dbraw/zinc/95/01/23/1030950123.db2.gz BMPYHLCMMQPJMW-HZPDHXFCSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]1CC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000172375539 1030951198 /nfs/dbraw/zinc/95/11/98/1030951198.db2.gz BMPYHLCMMQPJMW-HOTGVXAUSA-N 1 2 340.471 3.555 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)on1 ZINC000483099308 1030952464 /nfs/dbraw/zinc/95/24/64/1030952464.db2.gz LUIBNTAKVXXVSV-AWEZNQCLSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)on1 ZINC000483099308 1030952481 /nfs/dbraw/zinc/95/24/81/1030952481.db2.gz LUIBNTAKVXXVSV-AWEZNQCLSA-N 1 2 345.418 3.539 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCN(C)c2ccccc2)o1 ZINC000131136868 1030965440 /nfs/dbraw/zinc/96/54/40/1030965440.db2.gz MWQAKZXTJSPLLD-HXUWFJFHSA-N 1 2 348.450 3.614 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCN(C)c2ccccc2)o1 ZINC000131136868 1030965452 /nfs/dbraw/zinc/96/54/52/1030965452.db2.gz MWQAKZXTJSPLLD-HXUWFJFHSA-N 1 2 348.450 3.614 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000172593351 1030974019 /nfs/dbraw/zinc/97/40/19/1030974019.db2.gz YYOOAWNGRMYAGS-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000172593351 1030974024 /nfs/dbraw/zinc/97/40/24/1030974024.db2.gz YYOOAWNGRMYAGS-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1O ZINC000448359377 1030981504 /nfs/dbraw/zinc/98/15/04/1030981504.db2.gz LUDBUPYANSZOQX-GFCCVEGCSA-N 1 2 341.295 3.927 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1O ZINC000448359377 1030981521 /nfs/dbraw/zinc/98/15/21/1030981521.db2.gz LUDBUPYANSZOQX-GFCCVEGCSA-N 1 2 341.295 3.927 20 0 EHADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000172885841 1031027351 /nfs/dbraw/zinc/02/73/51/1031027351.db2.gz BVDGTECEFFJEIO-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C[C@@]2(CCOC2)O1 ZINC000483185753 1031031021 /nfs/dbraw/zinc/03/10/21/1031031021.db2.gz SDXVCDGNOLLQPO-ZTFRIQLXSA-N 1 2 342.266 3.861 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C[C@@]2(CCOC2)O1 ZINC000483185753 1031031035 /nfs/dbraw/zinc/03/10/35/1031031035.db2.gz SDXVCDGNOLLQPO-ZTFRIQLXSA-N 1 2 342.266 3.861 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000527617715 1031040140 /nfs/dbraw/zinc/04/01/40/1031040140.db2.gz FBWWRYCDHOYNEJ-UHFFFAOYSA-N 1 2 333.439 3.548 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000527617715 1031040153 /nfs/dbraw/zinc/04/01/53/1031040153.db2.gz FBWWRYCDHOYNEJ-UHFFFAOYSA-N 1 2 333.439 3.548 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247552392 1031117653 /nfs/dbraw/zinc/11/76/53/1031117653.db2.gz QBQDCMBBHYNOKV-DYVFJYSZSA-N 1 2 346.862 3.546 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247552392 1031117661 /nfs/dbraw/zinc/11/76/61/1031117661.db2.gz QBQDCMBBHYNOKV-DYVFJYSZSA-N 1 2 346.862 3.546 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000173630985 1031125267 /nfs/dbraw/zinc/12/52/67/1031125267.db2.gz BRMNFZPETUMXGN-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000173630985 1031125271 /nfs/dbraw/zinc/12/52/71/1031125271.db2.gz BRMNFZPETUMXGN-IBGZPJMESA-N 1 2 332.394 3.604 20 0 EHADLO COc1ccc([C@@H](C[NH+](C)C)NC/C=C\c2ccc(F)cc2)cc1 ZINC000551227560 1031136460 /nfs/dbraw/zinc/13/64/60/1031136460.db2.gz LYLXLAOYZGXNPO-BBIZLLLXSA-N 1 2 328.431 3.740 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000536163142 1031152206 /nfs/dbraw/zinc/15/22/06/1031152206.db2.gz MZJCGRDUFAYLDN-AWEZNQCLSA-N 1 2 342.386 3.863 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000483436395 1031168918 /nfs/dbraw/zinc/16/89/18/1031168918.db2.gz SOBCZKRFGWDIKG-IBGZPJMESA-N 1 2 325.408 3.551 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000483436395 1031168928 /nfs/dbraw/zinc/16/89/28/1031168928.db2.gz SOBCZKRFGWDIKG-IBGZPJMESA-N 1 2 325.408 3.551 20 0 EHADLO CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174210218 1031177002 /nfs/dbraw/zinc/17/70/02/1031177002.db2.gz PRTUGEXQVLSTQJ-JKSUJKDBSA-N 1 2 326.444 3.765 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(Br)c(F)c2F)o1 ZINC000527717701 1031178681 /nfs/dbraw/zinc/17/86/81/1031178681.db2.gz QLOGRWAJCXOFSL-UHFFFAOYSA-N 1 2 345.187 3.958 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3[C@@H]4CCCCCC[C@@H]34)[nH+]c12 ZINC000611795096 1031179622 /nfs/dbraw/zinc/17/96/22/1031179622.db2.gz MWQWSVXJAGDQAH-IAGOWNOFSA-N 1 2 325.456 3.518 20 0 EHADLO CC(C)c1cccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000477052178 1031202463 /nfs/dbraw/zinc/20/24/63/1031202463.db2.gz UQPLEUPPMQFODG-UHFFFAOYSA-N 1 2 348.450 3.995 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000483516998 1031206266 /nfs/dbraw/zinc/20/62/66/1031206266.db2.gz ZMRPIBYEORPLMC-HNNXBMFYSA-N 1 2 336.501 3.966 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000483516998 1031206283 /nfs/dbraw/zinc/20/62/83/1031206283.db2.gz ZMRPIBYEORPLMC-HNNXBMFYSA-N 1 2 336.501 3.966 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776363 1031214674 /nfs/dbraw/zinc/21/46/74/1031214674.db2.gz WWCUNTQAYZDZQK-RYRKJORJSA-N 1 2 326.444 3.545 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776360 1031214775 /nfs/dbraw/zinc/21/47/75/1031214775.db2.gz WWCUNTQAYZDZQK-BQFCYCMXSA-N 1 2 326.444 3.545 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)ccc3Br)ccc2[nH+]1 ZINC000477067393 1031217207 /nfs/dbraw/zinc/21/72/07/1031217207.db2.gz HEYIUTMUSBDFEH-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000174471421 1031219914 /nfs/dbraw/zinc/21/99/14/1031219914.db2.gz UVAHSSZGLBHTSR-CYBMUJFWSA-N 1 2 339.370 3.511 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063123 1031229927 /nfs/dbraw/zinc/22/99/27/1031229927.db2.gz CXLJTILFZGNCLK-RYUDHWBXSA-N 1 2 349.397 3.590 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063123 1031229942 /nfs/dbraw/zinc/22/99/42/1031229942.db2.gz CXLJTILFZGNCLK-RYUDHWBXSA-N 1 2 349.397 3.590 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3CC4(C3)CCCCC4)[nH+]c12 ZINC000611796264 1031232265 /nfs/dbraw/zinc/23/22/65/1031232265.db2.gz VBYLPBJGIHKSRB-UHFFFAOYSA-N 1 2 325.456 3.662 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)c(F)c3)n2)c1 ZINC000174658170 1031240541 /nfs/dbraw/zinc/24/05/41/1031240541.db2.gz DCYJFCUKZFULID-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000448592100 1031293729 /nfs/dbraw/zinc/29/37/29/1031293729.db2.gz LWABEKIASPPULG-RYRKJORJSA-N 1 2 330.472 3.530 20 0 EHADLO O=C(CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1)Nc1ccccc1 ZINC000551403319 1031299260 /nfs/dbraw/zinc/29/92/60/1031299260.db2.gz HBUBPVUNERIWLJ-LJQANCHMSA-N 1 2 348.368 3.864 20 0 EHADLO O=C(CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1)Nc1ccccc1 ZINC000551403319 1031299272 /nfs/dbraw/zinc/29/92/72/1031299272.db2.gz HBUBPVUNERIWLJ-LJQANCHMSA-N 1 2 348.368 3.864 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477172174 1031310479 /nfs/dbraw/zinc/31/04/79/1031310479.db2.gz SMBRLVAKZSIIMN-UHFFFAOYSA-N 1 2 333.476 3.552 20 0 EHADLO CC1=C(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC(C)(C)C1 ZINC000448629419 1031350453 /nfs/dbraw/zinc/35/04/53/1031350453.db2.gz HNMAIMWYWYIMTM-UHFFFAOYSA-N 1 2 327.472 3.825 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668270346 1031368578 /nfs/dbraw/zinc/36/85/78/1031368578.db2.gz HLRSKOARSZPGRJ-VXGBXAGGSA-N 1 2 335.860 3.928 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)cs1 ZINC000158493910 1031397127 /nfs/dbraw/zinc/39/71/27/1031397127.db2.gz LRSZANCDXYAMHS-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c(Br)c1 ZINC000923885545 1031400435 /nfs/dbraw/zinc/40/04/35/1031400435.db2.gz FBWZGPMESYAJLQ-GHMZBOCLSA-N 1 2 345.200 3.802 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccoc1 ZINC000102408891 1031447654 /nfs/dbraw/zinc/44/76/54/1031447654.db2.gz MHXMSESPHBWEJU-UHFFFAOYSA-N 1 2 338.810 3.553 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccoc1 ZINC000102408891 1031447662 /nfs/dbraw/zinc/44/76/62/1031447662.db2.gz MHXMSESPHBWEJU-UHFFFAOYSA-N 1 2 338.810 3.553 20 0 EHADLO COc1ccc[nH+]c1NCc1cccc(COCC(F)(F)F)c1 ZINC000527933894 1031496680 /nfs/dbraw/zinc/49/66/80/1031496680.db2.gz JBYLDTVPFCBNCX-UHFFFAOYSA-N 1 2 326.318 3.781 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000537899661 1031507404 /nfs/dbraw/zinc/50/74/04/1031507404.db2.gz GGPDFPVBGLSNKE-IIBYNOLFSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000537899661 1031507419 /nfs/dbraw/zinc/50/74/19/1031507419.db2.gz GGPDFPVBGLSNKE-IIBYNOLFSA-N 1 2 337.467 3.650 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347426849 1031514182 /nfs/dbraw/zinc/51/41/82/1031514182.db2.gz ITXYWCHEVZCJAI-DOTOQJQBSA-N 1 2 343.446 3.534 20 0 EHADLO CCOc1cc(NC2CCN(c3[nH+]ccc4ccccc43)CC2)ncn1 ZINC000527967359 1031537734 /nfs/dbraw/zinc/53/77/34/1031537734.db2.gz QMTMKFRRLHEWMI-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1sccc1-c1ccccc1 ZINC000060407976 1031555102 /nfs/dbraw/zinc/55/51/02/1031555102.db2.gz PPNJUPATCRAHSP-UHFFFAOYSA-N 1 2 325.437 3.822 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737199 1031562463 /nfs/dbraw/zinc/56/24/63/1031562463.db2.gz UOOWKAPASXRYHA-LSDHHAIUSA-N 1 2 339.505 3.517 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737199 1031562482 /nfs/dbraw/zinc/56/24/82/1031562482.db2.gz UOOWKAPASXRYHA-LSDHHAIUSA-N 1 2 339.505 3.517 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)cc1Cl ZINC000177786571 1031569014 /nfs/dbraw/zinc/56/90/14/1031569014.db2.gz LBTOFXJEBCTWLF-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO COc1ccccc1C1(C(=O)Nc2cc(C)[nH+]cc2C)CCCCC1 ZINC000551721105 1031600423 /nfs/dbraw/zinc/60/04/23/1031600423.db2.gz BWVYGZVDAFXFDM-UHFFFAOYSA-N 1 2 338.451 3.970 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000178009782 1031604994 /nfs/dbraw/zinc/60/49/94/1031604994.db2.gz JGFRYYBOTUUCDD-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1nnc2n1CCCC2 ZINC000178076151 1031621774 /nfs/dbraw/zinc/62/17/74/1031621774.db2.gz QIWAIPSUFOEJTK-BXUZGUMPSA-N 1 2 332.448 3.641 20 0 EHADLO CS[C@@H]1CCC[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000117217914 1031627986 /nfs/dbraw/zinc/62/79/86/1031627986.db2.gz DWZMYXOEMPCZLR-HUUCEWRRSA-N 1 2 329.469 3.585 20 0 EHADLO CC1(c2ccccc2-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000904028445 1031632911 /nfs/dbraw/zinc/63/29/11/1031632911.db2.gz DPMVMBZZSPLZGG-RHSMWYFYSA-N 1 2 339.439 3.714 20 0 EHADLO CC1(c2ccccc2-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000904028445 1031632922 /nfs/dbraw/zinc/63/29/22/1031632922.db2.gz DPMVMBZZSPLZGG-RHSMWYFYSA-N 1 2 339.439 3.714 20 0 EHADLO CC(C)Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528072537 1031656817 /nfs/dbraw/zinc/65/68/17/1031656817.db2.gz OTDPXNYTUBTUQK-UHFFFAOYSA-N 1 2 340.471 3.697 20 0 EHADLO C[C@H](CCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347458011 1031668691 /nfs/dbraw/zinc/66/86/91/1031668691.db2.gz CJTPUOCDTKJFMF-AEFFLSMTSA-N 1 2 325.456 3.710 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178349495 1031686943 /nfs/dbraw/zinc/68/69/43/1031686943.db2.gz URIZTGUAVWEICT-MRXNPFEDSA-N 1 2 325.437 3.521 20 0 EHADLO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1ccn2cc[nH+]c2c1 ZINC000178382074 1031688950 /nfs/dbraw/zinc/68/89/50/1031688950.db2.gz NYGNUVCRTUIIDZ-HNNXBMFYSA-N 1 2 347.340 3.687 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(F)s3)n2)CC1 ZINC000667017618 1031694496 /nfs/dbraw/zinc/69/44/96/1031694496.db2.gz XBHARUDPVVDCLE-UHFFFAOYSA-N 1 2 339.461 3.828 20 0 EHADLO CC[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000635469520 1031703031 /nfs/dbraw/zinc/70/30/31/1031703031.db2.gz SAFXQUSSGREQSO-ZIAGYGMSSA-N 1 2 331.382 3.852 20 0 EHADLO COc1cccc([C@H](C)[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484562784 1031740335 /nfs/dbraw/zinc/74/03/35/1031740335.db2.gz GYXRWXNPGZYQIP-JXFKEZNVSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc([C@H](C)[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484562784 1031740351 /nfs/dbraw/zinc/74/03/51/1031740351.db2.gz GYXRWXNPGZYQIP-JXFKEZNVSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc([C@H](C)[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484562785 1031740661 /nfs/dbraw/zinc/74/06/61/1031740661.db2.gz GYXRWXNPGZYQIP-OXJNMPFZSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc([C@H](C)[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484562785 1031740672 /nfs/dbraw/zinc/74/06/72/1031740672.db2.gz GYXRWXNPGZYQIP-OXJNMPFZSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cnc(C)s2)c1OC(F)F ZINC000179382551 1031743699 /nfs/dbraw/zinc/74/36/99/1031743699.db2.gz FNTMLABJBPBXEY-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cnc(C)s2)c1OC(F)F ZINC000179382551 1031743716 /nfs/dbraw/zinc/74/37/16/1031743716.db2.gz FNTMLABJBPBXEY-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[C@H]1C1CC1 ZINC000528139793 1031764703 /nfs/dbraw/zinc/76/47/03/1031764703.db2.gz MCQHJUVNYSSNEQ-APHBMKBZSA-N 1 2 333.501 3.606 20 0 EHADLO CCOc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1OC ZINC000117616890 1031780641 /nfs/dbraw/zinc/78/06/41/1031780641.db2.gz FEFBRVXIGRCEIT-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccoc1 ZINC000179555434 1031785096 /nfs/dbraw/zinc/78/50/96/1031785096.db2.gz CNDZVPYQGLIKNF-KKXDTOCCSA-N 1 2 334.847 3.656 20 0 EHADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccoc1 ZINC000179555434 1031785115 /nfs/dbraw/zinc/78/51/15/1031785115.db2.gz CNDZVPYQGLIKNF-KKXDTOCCSA-N 1 2 334.847 3.656 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117634316 1031786088 /nfs/dbraw/zinc/78/60/88/1031786088.db2.gz TYMLLBXHRSYQHQ-OAHLLOKOSA-N 1 2 335.407 3.762 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000117654473 1031789708 /nfs/dbraw/zinc/78/97/08/1031789708.db2.gz UKXWFEATARNAAS-ZDUSSCGKSA-N 1 2 340.452 3.779 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c(C)c1 ZINC000151648707 1031796071 /nfs/dbraw/zinc/79/60/71/1031796071.db2.gz IBFKAUZCEZKPLR-HNNXBMFYSA-N 1 2 336.501 3.550 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(-c2cccs2)n1 ZINC000179888148 1031817426 /nfs/dbraw/zinc/81/74/26/1031817426.db2.gz QGUYDDCKWXGUNA-CQSZACIVSA-N 1 2 345.493 3.784 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(-c2cccs2)n1 ZINC000179888148 1031817438 /nfs/dbraw/zinc/81/74/38/1031817438.db2.gz QGUYDDCKWXGUNA-CQSZACIVSA-N 1 2 345.493 3.784 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000552009839 1031842291 /nfs/dbraw/zinc/84/22/91/1031842291.db2.gz YVAJBSXSJOMJAR-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CCCc1nc(C[NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)no1 ZINC000484654764 1031848953 /nfs/dbraw/zinc/84/89/53/1031848953.db2.gz RTOQMCNZKSNYDM-DOTOQJQBSA-N 1 2 329.444 3.810 20 0 EHADLO c1cc(Oc2ccccc2)oc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000180418152 1031851067 /nfs/dbraw/zinc/85/10/67/1031851067.db2.gz IMNSLHKDGCKUTR-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180437320 1031853124 /nfs/dbraw/zinc/85/31/24/1031853124.db2.gz WKVLDFOFVVSEKR-OAHLLOKOSA-N 1 2 327.302 3.571 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180437320 1031853143 /nfs/dbraw/zinc/85/31/43/1031853143.db2.gz WKVLDFOFVVSEKR-OAHLLOKOSA-N 1 2 327.302 3.571 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2F)c2cccc(F)c2)cn1 ZINC000180472953 1031857743 /nfs/dbraw/zinc/85/77/43/1031857743.db2.gz GQEOZGNSQSWJHE-GOSISDBHSA-N 1 2 331.341 3.717 20 0 EHADLO Fc1ccccc1OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469612 1031857781 /nfs/dbraw/zinc/85/77/81/1031857781.db2.gz JVPXRBOUYRFPFS-UHFFFAOYSA-N 1 2 326.371 3.895 20 0 EHADLO Fc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469612 1031857802 /nfs/dbraw/zinc/85/78/02/1031857802.db2.gz JVPXRBOUYRFPFS-UHFFFAOYSA-N 1 2 326.371 3.895 20 0 EHADLO c1scc2sc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc12 ZINC000528184224 1031858500 /nfs/dbraw/zinc/85/85/00/1031858500.db2.gz XXYCLKVKMGEQRV-VXGBXAGGSA-N 1 2 347.465 3.939 20 0 EHADLO c1scc2sc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc12 ZINC000528184224 1031858517 /nfs/dbraw/zinc/85/85/17/1031858517.db2.gz XXYCLKVKMGEQRV-VXGBXAGGSA-N 1 2 347.465 3.939 20 0 EHADLO Brc1ccc(C[N@@H+]2CCOC3(CCC3)C2)c2ncccc12 ZINC000180195122 1031867774 /nfs/dbraw/zinc/86/77/74/1031867774.db2.gz UTOJERKZAQTZCQ-UHFFFAOYSA-N 1 2 347.256 3.752 20 0 EHADLO Brc1ccc(C[N@H+]2CCOC3(CCC3)C2)c2ncccc12 ZINC000180195122 1031867791 /nfs/dbraw/zinc/86/77/91/1031867791.db2.gz UTOJERKZAQTZCQ-UHFFFAOYSA-N 1 2 347.256 3.752 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2cccs2)n1 ZINC000180545563 1031887548 /nfs/dbraw/zinc/88/75/48/1031887548.db2.gz KKJCTNPSYFBISB-OAHLLOKOSA-N 1 2 345.493 3.784 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2cccs2)n1 ZINC000180545563 1031887563 /nfs/dbraw/zinc/88/75/63/1031887563.db2.gz KKJCTNPSYFBISB-OAHLLOKOSA-N 1 2 345.493 3.784 20 0 EHADLO Cc1ccc(C)c(C2=NO[C@H](c3nc(-c4c[nH+]c(N)cc4C)no3)C2)c1 ZINC000904265065 1031893609 /nfs/dbraw/zinc/89/36/09/1031893609.db2.gz FOUXAIHZOOUOMI-INIZCTEOSA-N 1 2 349.394 3.505 20 0 EHADLO COc1cccc2[nH]cc(CC(=O)Nc3cccc(-n4cc[nH+]c4)c3)c21 ZINC000180687414 1031898178 /nfs/dbraw/zinc/89/81/78/1031898178.db2.gz UAUKRSQOWWEMBE-UHFFFAOYSA-N 1 2 346.390 3.543 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000181031768 1031939533 /nfs/dbraw/zinc/93/95/33/1031939533.db2.gz HQRCHOFVWBDEPY-ZDUSSCGKSA-N 1 2 339.443 3.618 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1 ZINC000460669395 1031966226 /nfs/dbraw/zinc/96/62/26/1031966226.db2.gz FEUIMKWVVQMISS-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000537851517 1031977909 /nfs/dbraw/zinc/97/79/09/1031977909.db2.gz MYYXYTNFGNYWJZ-INIZCTEOSA-N 1 2 338.842 3.910 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000537851517 1031977924 /nfs/dbraw/zinc/97/79/24/1031977924.db2.gz MYYXYTNFGNYWJZ-INIZCTEOSA-N 1 2 338.842 3.910 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCC1CCCCCCC1 ZINC000729600333 1031980407 /nfs/dbraw/zinc/98/04/07/1031980407.db2.gz XFDWXCJFTCKQLD-UHFFFAOYSA-N 1 2 332.492 3.933 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000350006978 1031981083 /nfs/dbraw/zinc/98/10/83/1031981083.db2.gz GRKZJMSLPYSFSD-UHFFFAOYSA-N 1 2 340.358 3.673 20 0 EHADLO CC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCC(C)CC1 ZINC000347492452 1031997637 /nfs/dbraw/zinc/99/76/37/1031997637.db2.gz VLKIDZABRPNFBH-OPQOLIRYSA-N 1 2 331.504 3.979 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000455808204 1032012098 /nfs/dbraw/zinc/01/20/98/1032012098.db2.gz AJZQWRKDHHUQEN-UHFFFAOYSA-N 1 2 340.427 3.544 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181704738 1032020567 /nfs/dbraw/zinc/02/05/67/1032020567.db2.gz YZTXSKDLVTUBHE-UHFFFAOYSA-N 1 2 345.251 3.745 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)n1 ZINC000449014024 1032024826 /nfs/dbraw/zinc/02/48/26/1032024826.db2.gz GNLHZXSAOOFLGA-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)n1 ZINC000449014024 1032024842 /nfs/dbraw/zinc/02/48/42/1032024842.db2.gz GNLHZXSAOOFLGA-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000449015114 1032026205 /nfs/dbraw/zinc/02/62/05/1032026205.db2.gz RZWAGZABULQIIX-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000449015114 1032026218 /nfs/dbraw/zinc/02/62/18/1032026218.db2.gz RZWAGZABULQIIX-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1F ZINC000904436681 1032038961 /nfs/dbraw/zinc/03/89/61/1032038961.db2.gz KOXXLVGRPDRZJT-CQSZACIVSA-N 1 2 343.402 3.511 20 0 EHADLO Cc1cccc([C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C(C)C)c1 ZINC000528289311 1032043289 /nfs/dbraw/zinc/04/32/89/1032043289.db2.gz NOXPTQGOPMHAFQ-ZWKOTPCHSA-N 1 2 340.471 3.625 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000342772558 1032044157 /nfs/dbraw/zinc/04/41/57/1032044157.db2.gz BBPIEAKCPZVLMD-UHFFFAOYSA-N 1 2 343.324 3.827 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC000574566549 1033297886 /nfs/dbraw/zinc/29/78/86/1033297886.db2.gz WNQVUUFUTWIQPB-RIFZZMRRSA-N 1 2 325.456 3.875 20 0 EHADLO Cc1cc(Br)ccc1-c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000574576352 1033303247 /nfs/dbraw/zinc/30/32/47/1033303247.db2.gz MSRUWUPXYBMDCA-NSHDSACASA-N 1 2 347.216 3.808 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054917 1033308104 /nfs/dbraw/zinc/30/81/04/1033308104.db2.gz KTBZSOYHPIUCLC-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054917 1033308118 /nfs/dbraw/zinc/30/81/18/1033308118.db2.gz KTBZSOYHPIUCLC-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574641714 1033332290 /nfs/dbraw/zinc/33/22/90/1033332290.db2.gz YGOPCVPYCWNDCH-JENIJYKNSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1nn(C[N@@H+]2CCC3(CCCC3)C2)c(=S)n1Cc1ccccc1 ZINC000173443724 1033335751 /nfs/dbraw/zinc/33/57/51/1033335751.db2.gz ULGLYZLVIVOWMT-UHFFFAOYSA-N 1 2 342.512 3.994 20 0 EHADLO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c(=S)n1Cc1ccccc1 ZINC000173443724 1033335757 /nfs/dbraw/zinc/33/57/57/1033335757.db2.gz ULGLYZLVIVOWMT-UHFFFAOYSA-N 1 2 342.512 3.994 20 0 EHADLO CSCCc1ccccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000603077919 1033343275 /nfs/dbraw/zinc/34/32/75/1033343275.db2.gz ZSBKDMHQJCEWCD-UHFFFAOYSA-N 1 2 329.469 3.926 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](CC3CC3)c3ccccc3)[nH+]c12 ZINC000607860849 1033365122 /nfs/dbraw/zinc/36/51/22/1033365122.db2.gz BKXMPFASUBOBNK-LJQANCHMSA-N 1 2 333.435 3.843 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CSCC(F)(F)F)c2)[nH+]c1C ZINC000371282340 1033370189 /nfs/dbraw/zinc/37/01/89/1033370189.db2.gz AHXSKJOJYTXDJA-UHFFFAOYSA-N 1 2 343.374 3.928 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000120124896 1033382633 /nfs/dbraw/zinc/38/26/33/1033382633.db2.gz ZSCYHJZQGTVHQZ-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000120124896 1033382647 /nfs/dbraw/zinc/38/26/47/1033382647.db2.gz ZSCYHJZQGTVHQZ-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2cccc(F)c2o1 ZINC000607901534 1033398441 /nfs/dbraw/zinc/39/84/41/1033398441.db2.gz FMGIZKJWISJWSP-UHFFFAOYSA-N 1 2 327.359 3.589 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000170652854 1033400528 /nfs/dbraw/zinc/40/05/28/1033400528.db2.gz KTMLJNIMCMGERJ-AWEZNQCLSA-N 1 2 345.443 3.659 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000170652854 1033400533 /nfs/dbraw/zinc/40/05/33/1033400533.db2.gz KTMLJNIMCMGERJ-AWEZNQCLSA-N 1 2 345.443 3.659 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000358117525 1033408878 /nfs/dbraw/zinc/40/88/78/1033408878.db2.gz LSNCYFWARLFRRQ-INIZCTEOSA-N 1 2 332.423 3.536 20 0 EHADLO CC(C)n1ncnc1C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000898279179 1033425330 /nfs/dbraw/zinc/42/53/30/1033425330.db2.gz VLKJIBOUSGMNKC-UHFFFAOYSA-N 1 2 330.379 3.761 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000594616984 1033466096 /nfs/dbraw/zinc/46/60/96/1033466096.db2.gz ZGCINOREUXEDMQ-QYZOEREBSA-N 1 2 344.499 3.893 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000608240383 1033539918 /nfs/dbraw/zinc/53/99/18/1033539918.db2.gz PBDSALZUNJNXOS-GOSISDBHSA-N 1 2 331.435 3.528 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000455952453 1033557791 /nfs/dbraw/zinc/55/77/91/1033557791.db2.gz BWCZSGOKVKVOPT-UHFFFAOYSA-N 1 2 341.459 3.805 20 0 EHADLO O=C(c1cc2cscc2s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000529207715 1033599708 /nfs/dbraw/zinc/59/97/08/1033599708.db2.gz LFVBNYIDLVVHKI-CYBMUJFWSA-N 1 2 330.434 3.651 20 0 EHADLO CC(C)(CNC(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000057635502 1033601071 /nfs/dbraw/zinc/60/10/71/1033601071.db2.gz ZIDWNRJELDRACF-UHFFFAOYSA-N 1 2 348.878 3.594 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c2nccn21 ZINC000598978363 1033626572 /nfs/dbraw/zinc/62/65/72/1033626572.db2.gz NCWKISPFIAUNDE-WCQYABFASA-N 1 2 333.457 3.696 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C2CCCC1CCC2 ZINC000608401181 1033650328 /nfs/dbraw/zinc/65/03/28/1033650328.db2.gz DSGKFVYRAKOXMA-UHFFFAOYSA-N 1 2 342.487 3.689 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cnn(C2CC2)c1 ZINC000529232454 1033658176 /nfs/dbraw/zinc/65/81/76/1033658176.db2.gz LGZWZPKPADFVQY-UHFFFAOYSA-N 1 2 347.422 3.670 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(C)CCC[C@@H]1C ZINC000450052118 1033669406 /nfs/dbraw/zinc/66/94/06/1033669406.db2.gz YPKUZHBRBSNDKD-LAUBAEHRSA-N 1 2 343.515 3.973 20 0 EHADLO Cc1cc(NC(=O)Nc2ccn3cc[nH+]c3c2)nn1C1CCCCC1 ZINC000685651952 1033675328 /nfs/dbraw/zinc/67/53/28/1033675328.db2.gz ALMWXQJQPOOLKX-UHFFFAOYSA-N 1 2 338.415 3.988 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc[nH]n2)C(C)C)c(Br)c1 ZINC000685647115 1033675646 /nfs/dbraw/zinc/67/56/46/1033675646.db2.gz YNURRDFNTDFUHS-OAHLLOKOSA-N 1 2 338.249 3.668 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000343807422 1033683232 /nfs/dbraw/zinc/68/32/32/1033683232.db2.gz OADLZWQUESIFOG-GOEBONIOSA-N 1 2 341.480 3.668 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1C ZINC000545231890 1033700344 /nfs/dbraw/zinc/70/03/44/1033700344.db2.gz SMKJEPVJNKLOMH-VIFPVBQESA-N 1 2 332.395 3.846 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019238 1033712845 /nfs/dbraw/zinc/71/28/45/1033712845.db2.gz ZQNACUJZDZZNGF-QGZVFWFLSA-N 1 2 348.450 3.834 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1nnc2ccccn21 ZINC000081009474 1033716734 /nfs/dbraw/zinc/71/67/34/1033716734.db2.gz DRUYCWPFMHHAFP-LBPRGKRZSA-N 1 2 332.354 3.524 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000081009474 1033716748 /nfs/dbraw/zinc/71/67/48/1033716748.db2.gz DRUYCWPFMHHAFP-LBPRGKRZSA-N 1 2 332.354 3.524 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@H](c3cccs3)C3CC3)no2)c1 ZINC000574957549 1033742330 /nfs/dbraw/zinc/74/23/30/1033742330.db2.gz FFDIQXANNPQFAZ-INIZCTEOSA-N 1 2 326.425 3.742 20 0 EHADLO C[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000174198541 1033800144 /nfs/dbraw/zinc/80/01/44/1033800144.db2.gz DHYSDXVNQKQZRY-DLBZAZTESA-N 1 2 343.515 3.664 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1nccc(Cl)c1Cl ZINC001168306940 1033802919 /nfs/dbraw/zinc/80/29/19/1033802919.db2.gz AAEXHKNWBQJXEI-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1nccc(Cl)c1Cl ZINC001168306940 1033802938 /nfs/dbraw/zinc/80/29/38/1033802938.db2.gz AAEXHKNWBQJXEI-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635688913 1033803140 /nfs/dbraw/zinc/80/31/40/1033803140.db2.gz HUDDBEZEUULLDZ-ZDUSSCGKSA-N 1 2 333.398 3.907 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000608656891 1033819165 /nfs/dbraw/zinc/81/91/65/1033819165.db2.gz IXLUOGUESVUMPJ-HXUWFJFHSA-N 1 2 329.488 3.614 20 0 EHADLO Cc1ccsc1-c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000685693055 1033834035 /nfs/dbraw/zinc/83/40/35/1033834035.db2.gz XVUOHQIGOUJMFN-UHFFFAOYSA-N 1 2 336.420 3.942 20 0 EHADLO O=c1nc(C[NH+]2C3CCC2CC3)[nH]c2scc(-c3ccco3)c21 ZINC000642187727 1033856409 /nfs/dbraw/zinc/85/64/09/1033856409.db2.gz BASNAXQFVFASLF-UHFFFAOYSA-N 1 2 327.409 3.784 20 0 EHADLO CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608728154 1033867555 /nfs/dbraw/zinc/86/75/55/1033867555.db2.gz HUHLOODQLKHAFD-KBAYOESNSA-N 1 2 340.471 3.534 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595638729 1033912324 /nfs/dbraw/zinc/91/23/24/1033912324.db2.gz SZKGOCDSBPTFMF-MRXNPFEDSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595638729 1033912331 /nfs/dbraw/zinc/91/23/31/1033912331.db2.gz SZKGOCDSBPTFMF-MRXNPFEDSA-N 1 2 343.423 3.636 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1csc(-c2cccs2)n1 ZINC000603786514 1033935496 /nfs/dbraw/zinc/93/54/96/1033935496.db2.gz WSINUZJULGVNHO-UHFFFAOYSA-N 1 2 326.406 3.772 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccnc(OCc2ccccc2)c1 ZINC000603808901 1033940143 /nfs/dbraw/zinc/94/01/43/1033940143.db2.gz LAEMGJSNRVENTD-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO O=C(c1ccc(Nc2cccnc2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063564 1033982336 /nfs/dbraw/zinc/98/23/36/1033982336.db2.gz LCRMZUOBLBQVCT-UHFFFAOYSA-N 1 2 347.422 3.568 20 0 EHADLO O=C(c1ccc(Nc2cccnc2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063564 1033982350 /nfs/dbraw/zinc/98/23/50/1033982350.db2.gz LCRMZUOBLBQVCT-UHFFFAOYSA-N 1 2 347.422 3.568 20 0 EHADLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)n1 ZINC000599533622 1033993484 /nfs/dbraw/zinc/99/34/84/1033993484.db2.gz QAKIBZZTIZXLFX-UHFFFAOYSA-N 1 2 341.436 3.503 20 0 EHADLO O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000603883941 1034006377 /nfs/dbraw/zinc/00/63/77/1034006377.db2.gz LIQMXOHVHDLVTE-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000599577486 1034021664 /nfs/dbraw/zinc/02/16/64/1034021664.db2.gz VAKTXFAUQKWWQU-INIZCTEOSA-N 1 2 340.471 3.909 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000599577486 1034021680 /nfs/dbraw/zinc/02/16/80/1034021680.db2.gz VAKTXFAUQKWWQU-INIZCTEOSA-N 1 2 340.471 3.909 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586484 1034027014 /nfs/dbraw/zinc/02/70/14/1034027014.db2.gz IUUMCWXCDRDGBA-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586484 1034027024 /nfs/dbraw/zinc/02/70/24/1034027024.db2.gz IUUMCWXCDRDGBA-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CC1CCC(=O)CC1 ZINC000595915962 1034029663 /nfs/dbraw/zinc/02/96/63/1034029663.db2.gz JRQZHMCGBOUXRM-IBGZPJMESA-N 1 2 343.467 3.687 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CC1CCC(=O)CC1 ZINC000595915962 1034029672 /nfs/dbraw/zinc/02/96/72/1034029672.db2.gz JRQZHMCGBOUXRM-IBGZPJMESA-N 1 2 343.467 3.687 20 0 EHADLO O=C(N1CCC(CCCn2cc[nH+]c2)CC1)C1(C2CCC2)CCC1 ZINC000456014667 1034030090 /nfs/dbraw/zinc/03/00/90/1034030090.db2.gz WUOHVWWNTHEPFT-UHFFFAOYSA-N 1 2 329.488 3.872 20 0 EHADLO COCCCC[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450290682 1034032536 /nfs/dbraw/zinc/03/25/36/1034032536.db2.gz ULOVLTGVCVXQCK-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO COCCCC[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450290682 1034032552 /nfs/dbraw/zinc/03/25/52/1034032552.db2.gz ULOVLTGVCVXQCK-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO Cc1cc(F)ncc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001127216849 1034035346 /nfs/dbraw/zinc/03/53/46/1034035346.db2.gz YVBCVNWCHLKRPQ-UHFFFAOYSA-N 1 2 348.381 3.697 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000603944713 1034060851 /nfs/dbraw/zinc/06/08/51/1034060851.db2.gz REGNUTBNQRXZCC-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000603944713 1034060859 /nfs/dbraw/zinc/06/08/59/1034060859.db2.gz REGNUTBNQRXZCC-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CN(C)c1nc(N2CCC(OC3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450290994 1034062577 /nfs/dbraw/zinc/06/25/77/1034062577.db2.gz FATYSQZLEYSUFW-UHFFFAOYSA-N 1 2 340.471 3.624 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000603944781 1034063902 /nfs/dbraw/zinc/06/39/02/1034063902.db2.gz UXLXSDLRAGHCMN-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000603944781 1034063921 /nfs/dbraw/zinc/06/39/21/1034063921.db2.gz UXLXSDLRAGHCMN-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)c1F ZINC000658226939 1034081871 /nfs/dbraw/zinc/08/18/71/1034081871.db2.gz FKAHHZGVBKBVBH-SECBINFHSA-N 1 2 344.308 3.821 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)nnn1-c1ccccc1 ZINC000658237151 1034102346 /nfs/dbraw/zinc/10/23/46/1034102346.db2.gz BYUSIWYPLSJKIU-ORAYPTAESA-N 1 2 334.423 3.619 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529532971 1034119072 /nfs/dbraw/zinc/11/90/72/1034119072.db2.gz JYTBRCZGTMNGJX-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529532971 1034119081 /nfs/dbraw/zinc/11/90/81/1034119081.db2.gz JYTBRCZGTMNGJX-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO COc1ccccc1C[N@H+](CCO)Cc1ccsc1C(F)(F)F ZINC000529524367 1034131660 /nfs/dbraw/zinc/13/16/60/1034131660.db2.gz SZAPIBBRYPBZGW-UHFFFAOYSA-N 1 2 345.386 3.770 20 0 EHADLO COc1ccccc1C[N@@H+](CCO)Cc1ccsc1C(F)(F)F ZINC000529524367 1034131670 /nfs/dbraw/zinc/13/16/70/1034131670.db2.gz SZAPIBBRYPBZGW-UHFFFAOYSA-N 1 2 345.386 3.770 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000596288308 1034144168 /nfs/dbraw/zinc/14/41/68/1034144168.db2.gz HCMRYMJCUCAJKM-UHFFFAOYSA-N 1 2 341.455 3.765 20 0 EHADLO Cc1cc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc[nH+]1 ZINC000612121458 1034145029 /nfs/dbraw/zinc/14/50/29/1034145029.db2.gz ZEJHURFARZKLOD-OAHLLOKOSA-N 1 2 333.391 3.599 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119516745 1034176722 /nfs/dbraw/zinc/17/67/22/1034176722.db2.gz IEINFJFMINSNKN-SJLPKXTDSA-N 1 2 339.483 3.567 20 0 EHADLO Fc1ccc([C@H]([NH2+]C2CCC(C3CCC3)CC2)c2nnc[nH]2)cc1 ZINC000658328538 1034180353 /nfs/dbraw/zinc/18/03/53/1034180353.db2.gz WTOVHIZQJCWHSI-UYJHFMRCSA-N 1 2 328.435 3.982 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[S@@](=O)[C@H](C)C3)cc2)c1 ZINC000537618793 1034191123 /nfs/dbraw/zinc/19/11/23/1034191123.db2.gz LNDVPNPOIMNIJT-UZUQRXQVSA-N 1 2 327.493 3.923 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[S@@](=O)[C@H](C)C3)cc2)c1 ZINC000537618793 1034191134 /nfs/dbraw/zinc/19/11/34/1034191134.db2.gz LNDVPNPOIMNIJT-UZUQRXQVSA-N 1 2 327.493 3.923 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(F)cc1OC ZINC000529578360 1034207614 /nfs/dbraw/zinc/20/76/14/1034207614.db2.gz RDXKHNLOMHXCJK-CRAIPNDOSA-N 1 2 337.435 3.622 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(F)cc1OC ZINC000529578360 1034207628 /nfs/dbraw/zinc/20/76/28/1034207628.db2.gz RDXKHNLOMHXCJK-CRAIPNDOSA-N 1 2 337.435 3.622 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(CC(F)(F)F)CC1 ZINC000347352876 1034252755 /nfs/dbraw/zinc/25/27/55/1034252755.db2.gz OKSZJGOXAWLKJL-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO OC1(C(F)(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450403882 1034283116 /nfs/dbraw/zinc/28/31/16/1034283116.db2.gz DLUDJSFPXTXYAI-UHFFFAOYSA-N 1 2 348.727 3.921 20 0 EHADLO CC[N@H+](Cc1cccc(C(C)=O)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000450416689 1034301476 /nfs/dbraw/zinc/30/14/76/1034301476.db2.gz HJRIQEKMOVDAQQ-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000450416689 1034301496 /nfs/dbraw/zinc/30/14/96/1034301496.db2.gz HJRIQEKMOVDAQQ-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000685711293 1034335944 /nfs/dbraw/zinc/33/59/44/1034335944.db2.gz VGJPXNFFWINIAS-FQEVSTJZSA-N 1 2 348.450 3.527 20 0 EHADLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456140 1034370189 /nfs/dbraw/zinc/37/01/89/1034370189.db2.gz SDERBNRHWOIBJB-WCQYABFASA-N 1 2 344.402 3.758 20 0 EHADLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456140 1034370202 /nfs/dbraw/zinc/37/02/02/1034370202.db2.gz SDERBNRHWOIBJB-WCQYABFASA-N 1 2 344.402 3.758 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c(C)c[nH+]1 ZINC000534324470 1034399358 /nfs/dbraw/zinc/39/93/58/1034399358.db2.gz ZDZSARJJXCAENJ-LJQANCHMSA-N 1 2 343.446 3.990 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000450496160 1034401494 /nfs/dbraw/zinc/40/14/94/1034401494.db2.gz CKKKFBHOGGEXFN-NWDGAFQWSA-N 1 2 334.514 3.814 20 0 EHADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000450496160 1034401506 /nfs/dbraw/zinc/40/15/06/1034401506.db2.gz CKKKFBHOGGEXFN-NWDGAFQWSA-N 1 2 334.514 3.814 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1Cl ZINC000534341887 1034413705 /nfs/dbraw/zinc/41/37/05/1034413705.db2.gz GMZNHJRGFLRMBP-LBPRGKRZSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1Cl ZINC000534341887 1034413698 /nfs/dbraw/zinc/41/36/98/1034413698.db2.gz GMZNHJRGFLRMBP-LBPRGKRZSA-N 1 2 337.769 3.892 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000604581631 1034428980 /nfs/dbraw/zinc/42/89/80/1034428980.db2.gz XQCJYJNLAGDIJJ-SJORKVTESA-N 1 2 344.503 3.566 20 0 EHADLO Clc1snnc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534335924 1034430997 /nfs/dbraw/zinc/43/09/97/1034430997.db2.gz PEDRDQLVFONYNN-UHFFFAOYSA-N 1 2 343.843 3.719 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)C(=O)OC(C)(C)C ZINC000596912962 1034451940 /nfs/dbraw/zinc/45/19/40/1034451940.db2.gz PSUQBBZCXDCAAM-AWEZNQCLSA-N 1 2 335.448 3.591 20 0 EHADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(OC2CC2)c1F ZINC000597013633 1034492230 /nfs/dbraw/zinc/49/22/30/1034492230.db2.gz JDXCWDJIWUBMOO-XMMPIXPASA-N 1 2 347.455 3.736 20 0 EHADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(OC2CC2)c1F ZINC000597013633 1034492238 /nfs/dbraw/zinc/49/22/38/1034492238.db2.gz JDXCWDJIWUBMOO-XMMPIXPASA-N 1 2 347.455 3.736 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000456488553 1034494882 /nfs/dbraw/zinc/49/48/82/1034494882.db2.gz VZEGQYSOYGVOSK-GOEBONIOSA-N 1 2 331.847 3.997 20 0 EHADLO O=C(c1ccc2cnccc2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450542946 1034495895 /nfs/dbraw/zinc/49/58/95/1034495895.db2.gz VWKBQGZXKLNCPI-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cc(NCCc2c[nH]c3cc(Cl)ccc23)nc(C2CC2)[nH+]1 ZINC000604756806 1034497302 /nfs/dbraw/zinc/49/73/02/1034497302.db2.gz BTXIWEDRGNEOSZ-UHFFFAOYSA-N 1 2 326.831 3.874 20 0 EHADLO CC(=O)c1cccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000450560235 1034522718 /nfs/dbraw/zinc/52/27/18/1034522718.db2.gz FZDBXINGKMBMRN-UHFFFAOYSA-N 1 2 345.446 3.760 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604864516 1034534607 /nfs/dbraw/zinc/53/46/07/1034534607.db2.gz MOLQPHUIKPQXSE-WDSOQIARSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(OCc1nc(C2CC2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179637241 1034538654 /nfs/dbraw/zinc/53/86/54/1034538654.db2.gz CXYMHDZXZOZTEA-UHFFFAOYSA-N 1 2 325.393 3.563 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccccc2C(F)(F)F)cc1 ZINC000060454940 1034547492 /nfs/dbraw/zinc/54/74/92/1034547492.db2.gz GXMYGQFMMUIEKN-UHFFFAOYSA-N 1 2 338.329 3.746 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605687 1034560027 /nfs/dbraw/zinc/56/00/27/1034560027.db2.gz ATBVMJVIPTXBIC-QWRGUYRKSA-N 1 2 332.404 3.759 20 0 EHADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605687 1034560031 /nfs/dbraw/zinc/56/00/31/1034560031.db2.gz ATBVMJVIPTXBIC-QWRGUYRKSA-N 1 2 332.404 3.759 20 0 EHADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000597157549 1034569690 /nfs/dbraw/zinc/56/96/90/1034569690.db2.gz GUXKBSACGRLMKU-NSHDSACASA-N 1 2 330.478 3.892 20 0 EHADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000597157549 1034569696 /nfs/dbraw/zinc/56/96/96/1034569696.db2.gz GUXKBSACGRLMKU-NSHDSACASA-N 1 2 330.478 3.892 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)NCC(F)(F)F ZINC000605000448 1034585398 /nfs/dbraw/zinc/58/53/98/1034585398.db2.gz RTCXHLIHANZDJC-AWEZNQCLSA-N 1 2 348.796 3.936 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)NCC(F)(F)F ZINC000605000448 1034585404 /nfs/dbraw/zinc/58/54/04/1034585404.db2.gz RTCXHLIHANZDJC-AWEZNQCLSA-N 1 2 348.796 3.936 20 0 EHADLO COCc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)ccc1F ZINC000278786966 1034612808 /nfs/dbraw/zinc/61/28/08/1034612808.db2.gz ZUTCFDUXGZSWGN-UHFFFAOYSA-N 1 2 334.338 3.737 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000413612398 1034615236 /nfs/dbraw/zinc/61/52/36/1034615236.db2.gz DTUPXTKSPQSBMV-ZWKOTPCHSA-N 1 2 346.519 3.693 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000605092676 1034625479 /nfs/dbraw/zinc/62/54/79/1034625479.db2.gz OHCKXMXRRICPTH-QGZVFWFLSA-N 1 2 333.435 3.850 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(C)n1C ZINC000605153964 1034650741 /nfs/dbraw/zinc/65/07/41/1034650741.db2.gz FSEQZRXVCBACHU-IBGZPJMESA-N 1 2 328.481 3.615 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c(C)n1C ZINC000605153964 1034650749 /nfs/dbraw/zinc/65/07/49/1034650749.db2.gz FSEQZRXVCBACHU-IBGZPJMESA-N 1 2 328.481 3.615 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000375827552 1034652101 /nfs/dbraw/zinc/65/21/01/1034652101.db2.gz ZSONGTYBZDNKAI-NEPJUHHUSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000375827552 1034652107 /nfs/dbraw/zinc/65/21/07/1034652107.db2.gz ZSONGTYBZDNKAI-NEPJUHHUSA-N 1 2 334.407 3.801 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000605156228 1034653939 /nfs/dbraw/zinc/65/39/39/1034653939.db2.gz NVXDWNOBWUFUMT-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000605156228 1034653947 /nfs/dbraw/zinc/65/39/47/1034653947.db2.gz NVXDWNOBWUFUMT-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000177151398 1034699127 /nfs/dbraw/zinc/69/91/27/1034699127.db2.gz FTGXZWGVIXWQNA-MLGOLLRUSA-N 1 2 334.464 3.922 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000177151398 1034699138 /nfs/dbraw/zinc/69/91/38/1034699138.db2.gz FTGXZWGVIXWQNA-MLGOLLRUSA-N 1 2 334.464 3.922 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(CCCC2)O1 ZINC000548912972 1034715407 /nfs/dbraw/zinc/71/54/07/1034715407.db2.gz SOGIEQGQLZRXJQ-OAHLLOKOSA-N 1 2 341.455 3.649 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(CCCC2)O1 ZINC000548912972 1034715420 /nfs/dbraw/zinc/71/54/20/1034715420.db2.gz SOGIEQGQLZRXJQ-OAHLLOKOSA-N 1 2 341.455 3.649 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000456798709 1034721649 /nfs/dbraw/zinc/72/16/49/1034721649.db2.gz KRZWHQLIEGQVAO-AWEZNQCLSA-N 1 2 331.847 3.788 20 0 EHADLO Cc1cccc(C2(C(=O)NCCCNc3cccc[nH+]3)CCCC2)c1 ZINC000605392684 1034727343 /nfs/dbraw/zinc/72/73/43/1034727343.db2.gz RCBBNJAFWVRHAO-UHFFFAOYSA-N 1 2 337.467 3.820 20 0 EHADLO Cc1cc(C)c(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)c[nH+]1 ZINC000456843488 1034761434 /nfs/dbraw/zinc/76/14/34/1034761434.db2.gz QSCIBQAGQNGOJK-UHFFFAOYSA-N 1 2 332.831 3.826 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000450767226 1034761425 /nfs/dbraw/zinc/76/14/25/1034761425.db2.gz ZFYOSKWFAGARGO-UONOGXRCSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000450767226 1034761438 /nfs/dbraw/zinc/76/14/38/1034761438.db2.gz ZFYOSKWFAGARGO-UONOGXRCSA-N 1 2 343.439 3.847 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2ccc(OCC(C)C)cc2)c[nH+]1 ZINC000456845618 1034762778 /nfs/dbraw/zinc/76/27/78/1034762778.db2.gz SCZDLRJMLFWQHA-UHFFFAOYSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(F)cc2C(F)(F)F)c[nH+]1 ZINC000456828281 1034772965 /nfs/dbraw/zinc/77/29/65/1034772965.db2.gz BKRYXKLMMOPQKM-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000456829462 1034774306 /nfs/dbraw/zinc/77/43/06/1034774306.db2.gz CAYGPAINKSDOFM-ZIAGYGMSSA-N 1 2 334.341 3.536 20 0 EHADLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cn1cnc2cc(F)c(F)cc21 ZINC000177179432 1034778889 /nfs/dbraw/zinc/77/88/89/1034778889.db2.gz RQUMDOQHXUZNMG-UHFFFAOYSA-N 1 2 348.422 3.739 20 0 EHADLO C[N@H+](Cc1nc2c(s1)CCCC2)Cn1cnc2cc(F)c(F)cc21 ZINC000177179432 1034778904 /nfs/dbraw/zinc/77/89/04/1034778904.db2.gz RQUMDOQHXUZNMG-UHFFFAOYSA-N 1 2 348.422 3.739 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCOc3ccc(Cl)cc32)c[nH+]1 ZINC000456840270 1034784042 /nfs/dbraw/zinc/78/40/42/1034784042.db2.gz NMZUKALCFMNLDL-OAHLLOKOSA-N 1 2 330.815 3.534 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)CSCc2ccccc2)c[nH+]1 ZINC000456850290 1034806093 /nfs/dbraw/zinc/80/60/93/1034806093.db2.gz WGKBBTMSCSUSMW-HNNXBMFYSA-N 1 2 328.481 3.884 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000529947095 1034812376 /nfs/dbraw/zinc/81/23/76/1034812376.db2.gz IDXHQUYYNHNYBM-QGZVFWFLSA-N 1 2 329.419 3.597 20 0 EHADLO Cc1ccc2c(C[N@@H+](C)Cc3nc4ccccc4n3C)cc(=O)oc2c1 ZINC000177198213 1034817156 /nfs/dbraw/zinc/81/71/56/1034817156.db2.gz GRMFAPNYYOQUJK-UHFFFAOYSA-N 1 2 347.418 3.620 20 0 EHADLO Cc1ccc2c(C[N@H+](C)Cc3nc4ccccc4n3C)cc(=O)oc2c1 ZINC000177198213 1034817169 /nfs/dbraw/zinc/81/71/69/1034817169.db2.gz GRMFAPNYYOQUJK-UHFFFAOYSA-N 1 2 347.418 3.620 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000278793809 1034852961 /nfs/dbraw/zinc/85/29/61/1034852961.db2.gz QPZGZSUEHKRWFP-SECBINFHSA-N 1 2 343.301 3.658 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000413711165 1034879857 /nfs/dbraw/zinc/87/98/57/1034879857.db2.gz FKHXHMNFTLBQEI-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO C[C@@H](CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000530038016 1034891439 /nfs/dbraw/zinc/89/14/39/1034891439.db2.gz JFKJDHGLDJDSBF-HNNXBMFYSA-N 1 2 326.444 3.556 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)C2CCN(c3ccccc3)CC2)s1 ZINC000450894660 1034923683 /nfs/dbraw/zinc/92/36/83/1034923683.db2.gz JSMWBPRXUXHIPX-UHFFFAOYSA-N 1 2 330.501 3.762 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)C2CCN(c3ccccc3)CC2)s1 ZINC000450894660 1034923688 /nfs/dbraw/zinc/92/36/88/1034923688.db2.gz JSMWBPRXUXHIPX-UHFFFAOYSA-N 1 2 330.501 3.762 20 0 EHADLO Cc1csc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000303366848 1034928094 /nfs/dbraw/zinc/92/80/94/1034928094.db2.gz RIVMLZHVAQXLEK-CQSZACIVSA-N 1 2 335.904 3.984 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)O1 ZINC000450912537 1034933834 /nfs/dbraw/zinc/93/38/34/1034933834.db2.gz XQPFEDHYUNLTOM-SNVBAGLBSA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](CCc3c(Cl)cccc3Cl)C2)O1 ZINC000450912537 1034933839 /nfs/dbraw/zinc/93/38/39/1034933839.db2.gz XQPFEDHYUNLTOM-SNVBAGLBSA-N 1 2 342.226 3.504 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001168125644 1034939028 /nfs/dbraw/zinc/93/90/28/1034939028.db2.gz KWEFCEFDDVOQSX-AWEZNQCLSA-N 1 2 333.350 3.749 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001168125644 1034939032 /nfs/dbraw/zinc/93/90/32/1034939032.db2.gz KWEFCEFDDVOQSX-AWEZNQCLSA-N 1 2 333.350 3.749 20 0 EHADLO OCCC[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450950561 1034975054 /nfs/dbraw/zinc/97/50/54/1034975054.db2.gz DAGGNDOLYPKQIS-GFCCVEGCSA-N 1 2 335.245 3.596 20 0 EHADLO CC(C)C[N@H+](C)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000065943525 1034982800 /nfs/dbraw/zinc/98/28/00/1034982800.db2.gz GUVLEGZNYPOYGT-UHFFFAOYSA-N 1 2 337.537 3.531 20 0 EHADLO CC(C)C[N@@H+](C)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000065943525 1034982806 /nfs/dbraw/zinc/98/28/06/1034982806.db2.gz GUVLEGZNYPOYGT-UHFFFAOYSA-N 1 2 337.537 3.531 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977861 1035008595 /nfs/dbraw/zinc/00/85/95/1035008595.db2.gz KDWCYJVTMLDISJ-BEFAXECRSA-N 1 2 340.471 3.670 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977861 1035008601 /nfs/dbraw/zinc/00/86/01/1035008601.db2.gz KDWCYJVTMLDISJ-BEFAXECRSA-N 1 2 340.471 3.670 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1c(F)cccc1Sc1ccccc1 ZINC000343825471 1035020727 /nfs/dbraw/zinc/02/07/27/1035020727.db2.gz CACCXYYNEGWQFZ-UHFFFAOYSA-N 1 2 341.411 3.938 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nn(CC)nc2C)cc1OCC ZINC000924559460 1035268256 /nfs/dbraw/zinc/26/82/56/1035268256.db2.gz QYSXILWTMYLWBQ-ZIAGYGMSSA-N 1 2 346.475 3.816 20 0 EHADLO Nc1ccc(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)c[nH+]1 ZINC000548964551 1035300339 /nfs/dbraw/zinc/30/03/39/1035300339.db2.gz UNYKOEXFBVJMRI-UHFFFAOYSA-N 1 2 340.427 3.527 20 0 EHADLO C[C@H](c1nc(C(C)(C)c2ccccc2Br)no1)[NH+](C)C ZINC000924079222 1035385356 /nfs/dbraw/zinc/38/53/56/1035385356.db2.gz SJQKJXNBHGKGLO-SNVBAGLBSA-N 1 2 338.249 3.781 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cc2n(n1)CCC2 ZINC000414068308 1035434271 /nfs/dbraw/zinc/43/42/71/1035434271.db2.gz QUBIEQUNKZVRJK-NSHDSACASA-N 1 2 325.334 3.579 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1csc(-c2ccccc2)n1 ZINC000414073982 1035447713 /nfs/dbraw/zinc/44/77/13/1035447713.db2.gz MLABZJLHJWNZRF-OLZOCXBDSA-N 1 2 331.485 3.764 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414078804 1035454304 /nfs/dbraw/zinc/45/43/04/1035454304.db2.gz SEPSCIYKTPJWMD-LBPRGKRZSA-N 1 2 334.441 3.569 20 0 EHADLO CCCCOc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414079564 1035455740 /nfs/dbraw/zinc/45/57/40/1035455740.db2.gz SYLKLMKUADAVOZ-ZDUSSCGKSA-N 1 2 348.468 3.959 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cc2n(n1)CCC2 ZINC000414089350 1035471901 /nfs/dbraw/zinc/47/19/01/1035471901.db2.gz JZPIGFNWMCKHPC-SJKOYZFVSA-N 1 2 329.419 3.921 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[C@H](F)C1 ZINC000571492778 1035508570 /nfs/dbraw/zinc/50/85/70/1035508570.db2.gz SDBUBLLYEFKRQU-HOCLYGCPSA-N 1 2 342.418 3.899 20 0 EHADLO CCOC(=O)C(C)(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000571531865 1035548393 /nfs/dbraw/zinc/54/83/93/1035548393.db2.gz PFTQEJTZPCLFEY-UHFFFAOYSA-N 1 2 333.476 3.714 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cn2cc(Cl)ccc2n1 ZINC000463488408 1035553922 /nfs/dbraw/zinc/55/39/22/1035553922.db2.gz CWKJFUNJYTZKIF-UHFFFAOYSA-N 1 2 346.221 3.562 20 0 EHADLO O=C(Nc1cccc2ccccc21)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186042318 1035570847 /nfs/dbraw/zinc/57/08/47/1035570847.db2.gz IPPPDUXHXJWEMF-UHFFFAOYSA-N 1 2 346.434 3.979 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000456964735 1035576776 /nfs/dbraw/zinc/57/67/76/1035576776.db2.gz PVRLCLKMONWQOS-KRWDZBQOSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000456964735 1035576790 /nfs/dbraw/zinc/57/67/90/1035576790.db2.gz PVRLCLKMONWQOS-KRWDZBQOSA-N 1 2 339.483 3.913 20 0 EHADLO CCOc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1OC ZINC000463498390 1035580304 /nfs/dbraw/zinc/58/03/04/1035580304.db2.gz PYVZITNVHNGXNK-UHFFFAOYSA-N 1 2 345.830 3.668 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016381058 1035603499 /nfs/dbraw/zinc/60/34/99/1035603499.db2.gz NMTNODIKUKBSIV-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016381058 1035603507 /nfs/dbraw/zinc/60/35/07/1035603507.db2.gz NMTNODIKUKBSIV-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186201227 1035607410 /nfs/dbraw/zinc/60/74/10/1035607410.db2.gz CIEQWVOUKJXEGB-CQSZACIVSA-N 1 2 332.407 3.740 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186201227 1035607412 /nfs/dbraw/zinc/60/74/12/1035607412.db2.gz CIEQWVOUKJXEGB-CQSZACIVSA-N 1 2 332.407 3.740 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(Br)cc1F ZINC000414123152 1035633782 /nfs/dbraw/zinc/63/37/82/1035633782.db2.gz BMSGGTOHEFKASL-ZJUUUORDSA-N 1 2 326.213 3.734 20 0 EHADLO O=C(/C=C/c1ccc2[nH]ccc2c1)NCCCCNc1cccc[nH+]1 ZINC000492323854 1035645483 /nfs/dbraw/zinc/64/54/83/1035645483.db2.gz WACDKAUVEPKXKA-VQHVLOKHSA-N 1 2 334.423 3.585 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)s1 ZINC000249685084 1035664322 /nfs/dbraw/zinc/66/43/22/1035664322.db2.gz LQVYSRJEZJKRCK-KGLIPLIRSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)s1 ZINC000249685084 1035664328 /nfs/dbraw/zinc/66/43/28/1035664328.db2.gz LQVYSRJEZJKRCK-KGLIPLIRSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1cccn2c(CNc3nc4c(ccc(F)c4F)s3)c[nH+]c12 ZINC000540801562 1035695957 /nfs/dbraw/zinc/69/59/57/1035695957.db2.gz LEFDXZXNXGTIBQ-UHFFFAOYSA-N 1 2 330.363 3.565 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000540811133 1035703612 /nfs/dbraw/zinc/70/36/12/1035703612.db2.gz JDBATVLCHXBSIV-HKUYNNGSSA-N 1 2 340.471 3.641 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2ncc(Cl)cc2Cl)cc1 ZINC000540820410 1035708194 /nfs/dbraw/zinc/70/81/94/1035708194.db2.gz DJXZTSQCUGPXBS-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2ncc(Cl)cc2Cl)cc1 ZINC000540820410 1035708212 /nfs/dbraw/zinc/70/82/12/1035708212.db2.gz DJXZTSQCUGPXBS-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000457078856 1035728025 /nfs/dbraw/zinc/72/80/25/1035728025.db2.gz MBKHRXFORZYLNS-BFYDXBDKSA-N 1 2 343.858 3.551 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187132276 1035768322 /nfs/dbraw/zinc/76/83/22/1035768322.db2.gz MARPTJQPVPPCIU-XMMPIXPASA-N 1 2 345.464 3.749 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC12CCCC2 ZINC000457134068 1035770130 /nfs/dbraw/zinc/77/01/30/1035770130.db2.gz DRUJEYAAQLLKNI-LMMKCTJWSA-N 1 2 341.499 3.581 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187221667 1035774422 /nfs/dbraw/zinc/77/44/22/1035774422.db2.gz RQVKFNIBMFOEOK-OYLFLEFRSA-N 1 2 344.480 3.537 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2noc(-c3ccccc3C)n2)c(C)[nH+]1 ZINC000187170330 1035779854 /nfs/dbraw/zinc/77/98/54/1035779854.db2.gz XWBMSJDEYAGNNT-XMMPIXPASA-N 1 2 341.436 3.506 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1Br ZINC000414149482 1035786277 /nfs/dbraw/zinc/78/62/77/1035786277.db2.gz XPTOSDMZBDKWID-GFCCVEGCSA-N 1 2 334.261 3.751 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000187219374 1035790069 /nfs/dbraw/zinc/79/00/69/1035790069.db2.gz JJIBLGHLENBLQZ-MYYSRTQBSA-N 1 2 344.480 3.537 20 0 EHADLO CCN(C(=O)C[N@H+](CC)Cc1ccoc1)[C@@H](C)c1ccc(F)cc1 ZINC000588169026 1035795325 /nfs/dbraw/zinc/79/53/25/1035795325.db2.gz NVIYQYVYAZLRRB-HNNXBMFYSA-N 1 2 332.419 3.850 20 0 EHADLO CCN(C(=O)C[N@@H+](CC)Cc1ccoc1)[C@@H](C)c1ccc(F)cc1 ZINC000588169026 1035795338 /nfs/dbraw/zinc/79/53/38/1035795338.db2.gz NVIYQYVYAZLRRB-HNNXBMFYSA-N 1 2 332.419 3.850 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187299005 1035807953 /nfs/dbraw/zinc/80/79/53/1035807953.db2.gz CIVYFYRUAKDNMX-UHFFFAOYSA-N 1 2 329.403 3.560 20 0 EHADLO CCC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)C[C@@H]1CCCCO1 ZINC000174138871 1035808512 /nfs/dbraw/zinc/80/85/12/1035808512.db2.gz RZSROEBUBGMIPF-HOTGVXAUSA-N 1 2 339.480 3.584 20 0 EHADLO CCC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)C[C@@H]1CCCCO1 ZINC000174138871 1035808537 /nfs/dbraw/zinc/80/85/37/1035808537.db2.gz RZSROEBUBGMIPF-HOTGVXAUSA-N 1 2 339.480 3.584 20 0 EHADLO CC[N@H+](CC(=O)NCCC1CC(F)(F)C1)Cc1ccccc1Cl ZINC000457178120 1035821610 /nfs/dbraw/zinc/82/16/10/1035821610.db2.gz GYIJCUKJUXPTFZ-UHFFFAOYSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NCCC1CC(F)(F)C1)Cc1ccccc1Cl ZINC000457178120 1035821629 /nfs/dbraw/zinc/82/16/29/1035821629.db2.gz GYIJCUKJUXPTFZ-UHFFFAOYSA-N 1 2 344.833 3.714 20 0 EHADLO CC(C)n1cncc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000404215824 1035868215 /nfs/dbraw/zinc/86/82/15/1035868215.db2.gz XJGBBUSOPNQKLR-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457270555 1035909859 /nfs/dbraw/zinc/90/98/59/1035909859.db2.gz GBXAZLQPQVDKPP-PKOBYXMFSA-N 1 2 335.451 3.589 20 0 EHADLO C[N@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1Br ZINC000535063021 1035945325 /nfs/dbraw/zinc/94/53/25/1035945325.db2.gz IFTMHAUWVYLMSJ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1Br ZINC000535063021 1035945340 /nfs/dbraw/zinc/94/53/40/1035945340.db2.gz IFTMHAUWVYLMSJ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1Br ZINC000535063021 1035945360 /nfs/dbraw/zinc/94/53/60/1035945360.db2.gz IFTMHAUWVYLMSJ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1Br ZINC000535063021 1035945374 /nfs/dbraw/zinc/94/53/74/1035945374.db2.gz IFTMHAUWVYLMSJ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO COc1ccc(OC2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000613457701 1035952429 /nfs/dbraw/zinc/95/24/29/1035952429.db2.gz XYORNGGTIQQOOO-AWEZNQCLSA-N 1 2 345.443 3.806 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000613464393 1035962734 /nfs/dbraw/zinc/96/27/34/1035962734.db2.gz QTBNWLBEGXHGBM-GJYPPUQNSA-N 1 2 332.463 4.000 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000613464393 1035962747 /nfs/dbraw/zinc/96/27/47/1035962747.db2.gz QTBNWLBEGXHGBM-GJYPPUQNSA-N 1 2 332.463 4.000 20 0 EHADLO CC(=O)OC1CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000156832107 1036003653 /nfs/dbraw/zinc/00/36/53/1036003653.db2.gz RJXWXVKXMDBVHY-UHFFFAOYSA-N 1 2 340.832 3.602 20 0 EHADLO Cc1ccc(C(C)(C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000492584004 1036031799 /nfs/dbraw/zinc/03/17/99/1036031799.db2.gz UPBUIRPUMXJBFF-YRNVUSSQSA-N 1 2 346.434 3.640 20 0 EHADLO CCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535115225 1036042002 /nfs/dbraw/zinc/04/20/02/1036042002.db2.gz FHBXOLOHUSINPX-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535115225 1036042017 /nfs/dbraw/zinc/04/20/17/1036042017.db2.gz FHBXOLOHUSINPX-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1nnc(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)s1 ZINC000572221383 1036046463 /nfs/dbraw/zinc/04/64/63/1036046463.db2.gz OBWGCXUVIPNAMY-MRXNPFEDSA-N 1 2 344.871 3.969 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000492613031 1036082660 /nfs/dbraw/zinc/08/26/60/1036082660.db2.gz BXWUKXFVNLWKED-IBHIWXBSSA-N 1 2 331.419 3.982 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSc1ccc(F)cc1)[C@@H]2C ZINC000189542213 1036085103 /nfs/dbraw/zinc/08/51/03/1036085103.db2.gz BQCCUMRBOPUFKW-CYBMUJFWSA-N 1 2 334.464 3.710 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSc1ccc(F)cc1)[C@@H]2C ZINC000189542213 1036085119 /nfs/dbraw/zinc/08/51/19/1036085119.db2.gz BQCCUMRBOPUFKW-CYBMUJFWSA-N 1 2 334.464 3.710 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535131115 1036086059 /nfs/dbraw/zinc/08/60/59/1036086059.db2.gz WRRUTVKIGSOYMX-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535131115 1036086077 /nfs/dbraw/zinc/08/60/77/1036086077.db2.gz WRRUTVKIGSOYMX-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F ZINC000249712265 1036128295 /nfs/dbraw/zinc/12/82/95/1036128295.db2.gz FQMWKXCUAOPRAJ-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F ZINC000249712265 1036128302 /nfs/dbraw/zinc/12/83/02/1036128302.db2.gz FQMWKXCUAOPRAJ-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000457469625 1036133816 /nfs/dbraw/zinc/13/38/16/1036133816.db2.gz VXMVSQKWFPYJJH-OWCLPIDISA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000457469625 1036133833 /nfs/dbraw/zinc/13/38/33/1036133833.db2.gz VXMVSQKWFPYJJH-OWCLPIDISA-N 1 2 330.472 3.671 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1cc(Cl)ccc1OC(F)F ZINC000613502976 1036134716 /nfs/dbraw/zinc/13/47/16/1036134716.db2.gz OSQWBGHOYGQZBZ-UHFFFAOYSA-N 1 2 348.821 3.680 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(Cl)ccc1OC(F)F ZINC000613502976 1036134724 /nfs/dbraw/zinc/13/47/24/1036134724.db2.gz OSQWBGHOYGQZBZ-UHFFFAOYSA-N 1 2 348.821 3.680 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(C)(C)CC1 ZINC000588904652 1036156314 /nfs/dbraw/zinc/15/63/14/1036156314.db2.gz KGRYFHGHIWCFMA-GFCCVEGCSA-N 1 2 339.277 3.898 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1C ZINC000174909670 1036160834 /nfs/dbraw/zinc/16/08/34/1036160834.db2.gz ASOPETNZUXZMMH-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000175007040 1036201739 /nfs/dbraw/zinc/20/17/39/1036201739.db2.gz ONHSKPPIOZIXHR-IBGZPJMESA-N 1 2 341.418 3.515 20 0 EHADLO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175083005 1036231796 /nfs/dbraw/zinc/23/17/96/1036231796.db2.gz DWEBDXCQLZKTAI-VBKZILBWSA-N 1 2 335.407 3.570 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563852 1036232319 /nfs/dbraw/zinc/23/23/19/1036232319.db2.gz LBWWRAJPUWNWOP-CVEARBPZSA-N 1 2 329.444 3.680 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563852 1036232337 /nfs/dbraw/zinc/23/23/37/1036232337.db2.gz LBWWRAJPUWNWOP-CVEARBPZSA-N 1 2 329.444 3.680 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000190497365 1036245990 /nfs/dbraw/zinc/24/59/90/1036245990.db2.gz CLCALCMOGDXDFG-BDAKNGLRSA-N 1 2 326.231 3.727 20 0 EHADLO COc1ccnc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)c1OC ZINC000191062019 1036331853 /nfs/dbraw/zinc/33/18/53/1036331853.db2.gz NYSUJJIOFVTBAT-KRWDZBQOSA-N 1 2 336.382 3.864 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657266 1036365835 /nfs/dbraw/zinc/36/58/35/1036365835.db2.gz CXFKHIKBGFLDAZ-YMRXKLBXSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657266 1036365853 /nfs/dbraw/zinc/36/58/53/1036365853.db2.gz CXFKHIKBGFLDAZ-YMRXKLBXSA-N 1 2 338.854 3.777 20 0 EHADLO CCC1(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000457670976 1036379283 /nfs/dbraw/zinc/37/92/83/1036379283.db2.gz KPQSVSSZTBFVLG-UHFFFAOYSA-N 1 2 340.471 3.844 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)Cc2ccc(N(C)C(C)C)nc2)c1C ZINC000191479146 1036387670 /nfs/dbraw/zinc/38/76/70/1036387670.db2.gz JWNAHWIRZHESFU-UHFFFAOYSA-N 1 2 342.487 3.579 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)c1C ZINC000191479146 1036387681 /nfs/dbraw/zinc/38/76/81/1036387681.db2.gz JWNAHWIRZHESFU-UHFFFAOYSA-N 1 2 342.487 3.579 20 0 EHADLO CC(C)C(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000572535820 1036406390 /nfs/dbraw/zinc/40/63/90/1036406390.db2.gz UUSQTGCQZOIDBF-UHFFFAOYSA-N 1 2 327.472 3.518 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cc(CO)on1 ZINC000925267262 1036418492 /nfs/dbraw/zinc/41/84/92/1036418492.db2.gz CPYYTZBIRMPDHR-RYUDHWBXSA-N 1 2 334.391 3.507 20 0 EHADLO CCn1c2ccccc2c2cc(C[NH2+]Cc3nc(N(C)C)no3)ccc21 ZINC000191897663 1036438256 /nfs/dbraw/zinc/43/82/56/1036438256.db2.gz MLGBMFGNMVOZQE-UHFFFAOYSA-N 1 2 349.438 3.553 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000492953403 1036439808 /nfs/dbraw/zinc/43/98/08/1036439808.db2.gz OLZJCZLIXZWKBC-PLNGDYQASA-N 1 2 341.480 3.700 20 0 EHADLO O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000191926547 1036445570 /nfs/dbraw/zinc/44/55/70/1036445570.db2.gz YMENSWTYACSSSH-MRVPVSSYSA-N 1 2 328.174 3.530 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000457740594 1036449183 /nfs/dbraw/zinc/44/91/83/1036449183.db2.gz IJUSHMXIXXNSAA-QWHCGFSZSA-N 1 2 330.444 3.635 20 0 EHADLO CSCCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000323336228 1036455932 /nfs/dbraw/zinc/45/59/32/1036455932.db2.gz ZEJMKVHPXFREAJ-UHFFFAOYSA-N 1 2 327.457 3.761 20 0 EHADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000192355004 1036498152 /nfs/dbraw/zinc/49/81/52/1036498152.db2.gz DDFHXMDWYQKGDJ-INIZCTEOSA-N 1 2 339.370 3.749 20 0 EHADLO Cc1ccccc1C1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000541616970 1036503792 /nfs/dbraw/zinc/50/37/92/1036503792.db2.gz XJHKVWYYULFPKH-UHFFFAOYSA-N 1 2 340.471 3.561 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccn(C)n1 ZINC000572818554 1036507968 /nfs/dbraw/zinc/50/79/68/1036507968.db2.gz XKAIIXHFCMJGFB-MRXNPFEDSA-N 1 2 346.519 3.565 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000464499211 1036512731 /nfs/dbraw/zinc/51/27/31/1036512731.db2.gz RXUOIGRJIZGDJY-UHFFFAOYSA-N 1 2 337.448 3.993 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1cccc(Cl)c1 ZINC000493018791 1036531731 /nfs/dbraw/zinc/53/17/31/1036531731.db2.gz DCRUVVGTCLDBLK-HJWRWDBZSA-N 1 2 329.831 3.545 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccncc1 ZINC000192593116 1036533564 /nfs/dbraw/zinc/53/35/64/1036533564.db2.gz HZGUWUUZPGFXFT-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926581 1036534131 /nfs/dbraw/zinc/53/41/31/1036534131.db2.gz OIZLPPMHNJPMDA-DYVFJYSZSA-N 1 2 344.480 3.697 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926581 1036534141 /nfs/dbraw/zinc/53/41/41/1036534141.db2.gz OIZLPPMHNJPMDA-DYVFJYSZSA-N 1 2 344.480 3.697 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000589599627 1036542769 /nfs/dbraw/zinc/54/27/69/1036542769.db2.gz ZAULGRKOXLHTGH-IBGZPJMESA-N 1 2 333.378 3.807 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000589599627 1036542787 /nfs/dbraw/zinc/54/27/87/1036542787.db2.gz ZAULGRKOXLHTGH-IBGZPJMESA-N 1 2 333.378 3.807 20 0 EHADLO Cc1noc(C)c1CNc1[nH+]c2cc(Cl)c(Cl)cc2n1C ZINC000414305656 1036560951 /nfs/dbraw/zinc/56/09/51/1036560951.db2.gz QDRPTJUDZDZTQZ-UHFFFAOYSA-N 1 2 325.199 3.519 20 0 EHADLO FC1(F)CC[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349977464 1036562956 /nfs/dbraw/zinc/56/29/56/1036562956.db2.gz BIMAZBMVYDRRMC-CQSZACIVSA-N 1 2 330.338 3.884 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1ccn(C)n1 ZINC000541732875 1036600395 /nfs/dbraw/zinc/60/03/95/1036600395.db2.gz RBRRSXZPKUNOIN-LBPRGKRZSA-N 1 2 329.778 3.916 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176383119 1036610968 /nfs/dbraw/zinc/61/09/68/1036610968.db2.gz RQYGQVUFOKRXHK-WBVHZDCISA-N 1 2 343.471 3.535 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccccc1F)C1CCCC1 ZINC000176534286 1036639743 /nfs/dbraw/zinc/63/97/43/1036639743.db2.gz YEYZJNGRJLEYEB-MRXNPFEDSA-N 1 2 325.391 3.846 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000493076764 1036645370 /nfs/dbraw/zinc/64/53/70/1036645370.db2.gz YGHKXDWPGHFFJJ-OOFWQKGWSA-N 1 2 331.366 3.511 20 0 EHADLO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1F ZINC000302596963 1036645355 /nfs/dbraw/zinc/64/53/55/1036645355.db2.gz TYJSBQQUQLOWGC-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000653565135 1036667496 /nfs/dbraw/zinc/66/74/96/1036667496.db2.gz NQCFMICUWCPJEZ-CQSZACIVSA-N 1 2 347.365 3.879 20 0 EHADLO c1c2c(cc3c1OCCC[C@@H]3[NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000414324687 1036686390 /nfs/dbraw/zinc/68/63/90/1036686390.db2.gz KYGKWDZQEAZMTO-INIZCTEOSA-N 1 2 341.480 3.908 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CCCc2cccnc2)c1 ZINC000457970481 1036699122 /nfs/dbraw/zinc/69/91/22/1036699122.db2.gz YSCWQFUTACEPJB-QGZVFWFLSA-N 1 2 348.450 3.717 20 0 EHADLO CC(C)COC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000176969209 1036740202 /nfs/dbraw/zinc/74/02/02/1036740202.db2.gz PQVSHXMRWXOVND-UHFFFAOYSA-N 1 2 348.878 3.558 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000590102180 1036754943 /nfs/dbraw/zinc/75/49/43/1036754943.db2.gz WUFLEGHOXAMNHW-SFHVURJKSA-N 1 2 340.471 3.594 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000007790889 1036762213 /nfs/dbraw/zinc/76/22/13/1036762213.db2.gz GCMCXDFULQVVDX-HNNXBMFYSA-N 1 2 338.451 3.911 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000007790889 1036762227 /nfs/dbraw/zinc/76/22/27/1036762227.db2.gz GCMCXDFULQVVDX-HNNXBMFYSA-N 1 2 338.451 3.911 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)n1 ZINC000464782062 1036777906 /nfs/dbraw/zinc/77/79/06/1036777906.db2.gz XOEOQRDJCRJXHZ-GFCCVEGCSA-N 1 2 336.892 3.637 20 0 EHADLO O=C(Nc1c(F)cccc1NC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177312395 1036812818 /nfs/dbraw/zinc/81/28/18/1036812818.db2.gz MDOHWIVWOIWOPN-UHFFFAOYSA-N 1 2 336.370 3.838 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000102983468 1036818163 /nfs/dbraw/zinc/81/81/63/1036818163.db2.gz WQHOVAINERXLOD-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177760460 1036928752 /nfs/dbraw/zinc/92/87/52/1036928752.db2.gz JXIDTUYZSRUXML-SJLPKXTDSA-N 1 2 348.450 3.730 20 0 EHADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000843629118 1036946031 /nfs/dbraw/zinc/94/60/31/1036946031.db2.gz UBBGJSAIHJLMMR-HXUWFJFHSA-N 1 2 337.398 3.711 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)Sc3nc(N)cc(C)[nH+]3)o2)cc1 ZINC000006980318 1036960598 /nfs/dbraw/zinc/96/05/98/1036960598.db2.gz JVTKWIVULYAFSS-LLVKDONJSA-N 1 2 327.413 3.579 20 0 EHADLO Cc1cnc([C@@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000177891659 1036962806 /nfs/dbraw/zinc/96/28/06/1036962806.db2.gz RGAWEYQKRMINCW-LHRNQBEKSA-N 1 2 338.436 3.528 20 0 EHADLO CC[C@H]1CCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000464910823 1036978428 /nfs/dbraw/zinc/97/84/28/1036978428.db2.gz IAFAAHKXLPXCSY-DZGCQCFKSA-N 1 2 336.505 3.829 20 0 EHADLO CCc1ccc(CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024748579 1036986330 /nfs/dbraw/zinc/98/63/30/1036986330.db2.gz QVKLVILYVGBMBC-UHFFFAOYSA-N 1 2 347.462 3.743 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[S@@]1=O ZINC000590649912 1036991185 /nfs/dbraw/zinc/99/11/85/1036991185.db2.gz DAVMISFHZFSUKR-QFIPXVFZSA-N 1 2 340.876 3.604 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[S@@]1=O ZINC000590649912 1036991192 /nfs/dbraw/zinc/99/11/92/1036991192.db2.gz DAVMISFHZFSUKR-QFIPXVFZSA-N 1 2 340.876 3.604 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000095087616 1036992049 /nfs/dbraw/zinc/99/20/49/1036992049.db2.gz FHZUADKIBUHEOG-NSHDSACASA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000095087616 1036992064 /nfs/dbraw/zinc/99/20/64/1036992064.db2.gz FHZUADKIBUHEOG-NSHDSACASA-N 1 2 345.896 3.533 20 0 EHADLO Clc1cc2ncc(NCCNc3cccc[nH+]3)nc2cc1Cl ZINC000542041563 1036996326 /nfs/dbraw/zinc/99/63/26/1036996326.db2.gz BSUYTPGJMXSANG-UHFFFAOYSA-N 1 2 334.210 3.856 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000176491180 1037005975 /nfs/dbraw/zinc/00/59/75/1037005975.db2.gz JZUFLVGHAZFUKG-VYENPZKTSA-N 1 2 338.455 3.551 20 0 EHADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000590727971 1037006999 /nfs/dbraw/zinc/00/69/99/1037006999.db2.gz BHVYNIMBXSVMRB-SFHVURJKSA-N 1 2 341.430 3.698 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728338 1037007801 /nfs/dbraw/zinc/00/78/01/1037007801.db2.gz LOSKIIJOAOBDMO-QGZVFWFLSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)c1ccc(OCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590726589 1037008568 /nfs/dbraw/zinc/00/85/68/1037008568.db2.gz FPDWYJCRWNLEFJ-SFHVURJKSA-N 1 2 341.455 3.639 20 0 EHADLO Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)cn1 ZINC000647538730 1037012046 /nfs/dbraw/zinc/01/20/46/1037012046.db2.gz FFIZWDIWFMIALA-NSHDSACASA-N 1 2 338.274 3.655 20 0 EHADLO Nc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)cn1 ZINC000647538730 1037012066 /nfs/dbraw/zinc/01/20/66/1037012066.db2.gz FFIZWDIWFMIALA-NSHDSACASA-N 1 2 338.274 3.655 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000178513860 1037054980 /nfs/dbraw/zinc/05/49/80/1037054980.db2.gz IYJBJEIHRGNRIX-AWEZNQCLSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000178513860 1037054997 /nfs/dbraw/zinc/05/49/97/1037054997.db2.gz IYJBJEIHRGNRIX-AWEZNQCLSA-N 1 2 336.501 3.964 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(CCC)CCC1 ZINC000428793629 1037055741 /nfs/dbraw/zinc/05/57/41/1037055741.db2.gz KUYVDPSAWBHALR-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO CC(C)(F)CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666450855 1037056152 /nfs/dbraw/zinc/05/61/52/1037056152.db2.gz GQMZFAUEYYPLAN-UHFFFAOYSA-N 1 2 342.418 3.862 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000590892239 1037097737 /nfs/dbraw/zinc/09/77/37/1037097737.db2.gz KLVFUHIKKUQMEV-UHFFFAOYSA-N 1 2 338.382 3.973 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000590892239 1037097757 /nfs/dbraw/zinc/09/77/57/1037097757.db2.gz KLVFUHIKKUQMEV-UHFFFAOYSA-N 1 2 338.382 3.973 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590857788 1037102855 /nfs/dbraw/zinc/10/28/55/1037102855.db2.gz HDKPTZZBPBTKHW-FQEVSTJZSA-N 1 2 348.450 3.626 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590862848 1037106026 /nfs/dbraw/zinc/10/60/26/1037106026.db2.gz MBXBZTPKCHTURS-KRWDZBQOSA-N 1 2 346.862 3.516 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000539737707 1037125068 /nfs/dbraw/zinc/12/50/68/1037125068.db2.gz QYXLFXYJUWSHPL-UHOSZYNNSA-N 1 2 327.472 3.832 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000590942522 1037136024 /nfs/dbraw/zinc/13/60/24/1037136024.db2.gz VOZNCQIISFLVAA-UHFFFAOYSA-N 1 2 342.468 3.577 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000573003129 1037153525 /nfs/dbraw/zinc/15/35/25/1037153525.db2.gz CWMQLTNZRLYGMG-IBGZPJMESA-N 1 2 346.434 3.799 20 0 EHADLO C[C@H](Nc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000186997921 1037156985 /nfs/dbraw/zinc/15/69/85/1037156985.db2.gz OHIPIISRDFGWJJ-HNNXBMFYSA-N 1 2 334.423 3.774 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c(C)o1 ZINC000105200147 1037157282 /nfs/dbraw/zinc/15/72/82/1037157282.db2.gz AOXOXYXQKSJBTG-CQSZACIVSA-N 1 2 330.432 3.544 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC000176348560 1037221111 /nfs/dbraw/zinc/22/11/11/1037221111.db2.gz LMYOQXRJQXSXEQ-CQSZACIVSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC000176348560 1037221127 /nfs/dbraw/zinc/22/11/27/1037221127.db2.gz LMYOQXRJQXSXEQ-CQSZACIVSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000539828450 1037253753 /nfs/dbraw/zinc/25/37/53/1037253753.db2.gz LXAVRUCULNPYSE-OAQYLSRUSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000539828450 1037253765 /nfs/dbraw/zinc/25/37/65/1037253765.db2.gz LXAVRUCULNPYSE-OAQYLSRUSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000052661444 1037257718 /nfs/dbraw/zinc/25/77/18/1037257718.db2.gz PYULHUKVWFEDHL-UWJYYQICSA-N 1 2 348.446 3.972 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1O ZINC000539834814 1037262812 /nfs/dbraw/zinc/26/28/12/1037262812.db2.gz MTVPDJPVHYKLHI-KKSFZXQISA-N 1 2 341.451 3.980 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1O ZINC000539834814 1037262828 /nfs/dbraw/zinc/26/28/28/1037262828.db2.gz MTVPDJPVHYKLHI-KKSFZXQISA-N 1 2 341.451 3.980 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000648255070 1037266604 /nfs/dbraw/zinc/26/66/04/1037266604.db2.gz KOYWFRAGCDTRQX-JKSUJKDBSA-N 1 2 341.455 3.973 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000591182044 1037267297 /nfs/dbraw/zinc/26/72/97/1037267297.db2.gz JFGXYBCIWYKBNT-UHFFFAOYSA-N 1 2 338.238 3.555 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCCNc1ncccn1 ZINC000191563822 1037268709 /nfs/dbraw/zinc/26/87/09/1037268709.db2.gz CZROBXVMKIQZKM-UHFFFAOYSA-N 1 2 339.468 3.706 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[C@H]1C1CC1 ZINC000648257043 1037316659 /nfs/dbraw/zinc/31/66/59/1037316659.db2.gz LYOJQFXYLNAVJJ-PMACEKPBSA-N 1 2 342.483 3.674 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)on1 ZINC000646116689 1037351237 /nfs/dbraw/zinc/35/12/37/1037351237.db2.gz CIJIVGJDKBPASS-QAPCUYQASA-N 1 2 337.423 3.703 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)on1 ZINC000646116689 1037351253 /nfs/dbraw/zinc/35/12/53/1037351253.db2.gz CIJIVGJDKBPASS-QAPCUYQASA-N 1 2 337.423 3.703 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000043281246 1037355111 /nfs/dbraw/zinc/35/51/11/1037355111.db2.gz MKGDQKGRMXLUTB-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CSC1(CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CCOCC1 ZINC000591364829 1037370676 /nfs/dbraw/zinc/37/06/76/1037370676.db2.gz RIYZTICMEJAOTJ-UHFFFAOYSA-N 1 2 346.431 3.574 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1nccs1 ZINC000301318284 1037374785 /nfs/dbraw/zinc/37/47/85/1037374785.db2.gz CJWOPMRQOBPPNP-AWEZNQCLSA-N 1 2 336.424 3.835 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2csc(CC(=O)N(C)C)n2)cc1 ZINC000170928051 1037383258 /nfs/dbraw/zinc/38/32/58/1037383258.db2.gz QBDIYTMZRSPNLZ-UHFFFAOYSA-N 1 2 345.512 3.529 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2csc(CC(=O)N(C)C)n2)cc1 ZINC000170928051 1037383277 /nfs/dbraw/zinc/38/32/77/1037383277.db2.gz QBDIYTMZRSPNLZ-UHFFFAOYSA-N 1 2 345.512 3.529 20 0 EHADLO CCC(CC)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000591402328 1037404656 /nfs/dbraw/zinc/40/46/56/1037404656.db2.gz WGAQBCLTAMBGTH-CYBMUJFWSA-N 1 2 338.521 3.933 20 0 EHADLO CCC(CC)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000591402328 1037404664 /nfs/dbraw/zinc/40/46/64/1037404664.db2.gz WGAQBCLTAMBGTH-CYBMUJFWSA-N 1 2 338.521 3.933 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1cc2ccccc2o1 ZINC000493533418 1037431366 /nfs/dbraw/zinc/43/13/66/1037431366.db2.gz XSYZEQZIXZUEGX-KTKRTIGZSA-N 1 2 335.407 3.637 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491412900 1037463458 /nfs/dbraw/zinc/46/34/58/1037463458.db2.gz AWVJJFFYWMDDTK-CMDGGOBGSA-N 1 2 331.419 3.982 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000591538522 1037479017 /nfs/dbraw/zinc/47/90/17/1037479017.db2.gz LUWHPDDWGHQNMJ-OAHLLOKOSA-N 1 2 328.460 3.630 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nc1 ZINC000760842660 1037510622 /nfs/dbraw/zinc/51/06/22/1037510622.db2.gz CILNJKYIBGLRCH-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nc1 ZINC000760842660 1037510627 /nfs/dbraw/zinc/51/06/27/1037510627.db2.gz CILNJKYIBGLRCH-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC000151652253 1037514173 /nfs/dbraw/zinc/51/41/73/1037514173.db2.gz ZULKVDWDILEHIF-MRXNPFEDSA-N 1 2 341.411 3.595 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591617012 1037530156 /nfs/dbraw/zinc/53/01/56/1037530156.db2.gz HEGOXNZOJCHEEY-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO CC(C)N(Cc1cccnc1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491521740 1037536454 /nfs/dbraw/zinc/53/64/54/1037536454.db2.gz XXJXGFXQVOIHNX-YFHOEESVSA-N 1 2 346.434 3.718 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488875 1037561652 /nfs/dbraw/zinc/56/16/52/1037561652.db2.gz VHSRSFLBEPJMAT-LJQANCHMSA-N 1 2 331.456 3.572 20 0 EHADLO Cc1cc(NCc2ccc(C(=O)OC(C)(C)C)cc2)nc(C2CC2)[nH+]1 ZINC000462935623 1037569565 /nfs/dbraw/zinc/56/95/65/1037569565.db2.gz OWSJPXXJBWWXJD-UHFFFAOYSA-N 1 2 339.439 3.652 20 0 EHADLO Cc1nc(N(C)Cc2cc(Br)ccc2Cl)cc[nH+]1 ZINC000491603277 1037580878 /nfs/dbraw/zinc/58/08/78/1037580878.db2.gz BBOISJLEOZIVEH-UHFFFAOYSA-N 1 2 326.625 3.837 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1sc2ccccc2c1Cl ZINC000493737227 1037613586 /nfs/dbraw/zinc/61/35/86/1037613586.db2.gz GUNMWXSKQCINHW-SREVYHEPSA-N 1 2 331.828 3.618 20 0 EHADLO Brc1ccc([C@H]2CCCN2c2nccn3c[nH+]cc23)s1 ZINC000893147846 1037615252 /nfs/dbraw/zinc/61/52/52/1037615252.db2.gz FKSNVTLRUNLFHH-SNVBAGLBSA-N 1 2 349.257 3.895 20 0 EHADLO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)c1 ZINC000546692610 1037669660 /nfs/dbraw/zinc/66/96/60/1037669660.db2.gz HXPJDJFCEWXWPA-CYBMUJFWSA-N 1 2 347.484 3.702 20 0 EHADLO CCOCC(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000914340010 1037681536 /nfs/dbraw/zinc/68/15/36/1037681536.db2.gz YZLHHFBUAZLDFN-CQSZACIVSA-N 1 2 343.210 3.511 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nccn2C2CC2)c(OCC(F)(F)F)c1 ZINC000893157300 1037711597 /nfs/dbraw/zinc/71/15/97/1037711597.db2.gz KHWUVJPEBURNMU-UHFFFAOYSA-N 1 2 339.361 3.757 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573733428 1037738122 /nfs/dbraw/zinc/73/81/22/1037738122.db2.gz MEXDFXCFZCUIFX-UYAOXDASSA-N 1 2 339.483 3.949 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000573859813 1037788414 /nfs/dbraw/zinc/78/84/14/1037788414.db2.gz CVUQQCFQRCILGS-KGLIPLIRSA-N 1 2 340.870 3.725 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccsc3)n2)c(OC)c1 ZINC000669939999 1037789632 /nfs/dbraw/zinc/78/96/32/1037789632.db2.gz SITFOWCTOYTDDI-NSHDSACASA-N 1 2 345.424 3.666 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCc4cc[nH]c(=O)c4C3)cs2)cc1 ZINC000494008080 1037791322 /nfs/dbraw/zinc/79/13/22/1037791322.db2.gz VCCONTKKAYXXRK-UHFFFAOYSA-N 1 2 337.448 3.777 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCc4cc[nH]c(=O)c4C3)cs2)cc1 ZINC000494008080 1037791343 /nfs/dbraw/zinc/79/13/43/1037791343.db2.gz VCCONTKKAYXXRK-UHFFFAOYSA-N 1 2 337.448 3.777 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378061088 1037801384 /nfs/dbraw/zinc/80/13/84/1037801384.db2.gz QMKRBLHCZZOHKK-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378061088 1037801403 /nfs/dbraw/zinc/80/14/03/1037801403.db2.gz QMKRBLHCZZOHKK-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO O=C(c1cc(-c2ccccc2)ccc1Cl)N1CCn2c[nH+]cc2C1 ZINC000378069358 1037807638 /nfs/dbraw/zinc/80/76/38/1037807638.db2.gz NBHGAZPROSMBSP-UHFFFAOYSA-N 1 2 337.810 3.860 20 0 EHADLO CCCc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000494099595 1037821157 /nfs/dbraw/zinc/82/11/57/1037821157.db2.gz SMUQCZRIBBYKRC-OAHLLOKOSA-N 1 2 349.887 3.644 20 0 EHADLO Cn1nc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1C(F)(F)F ZINC000929817044 1037834199 /nfs/dbraw/zinc/83/41/99/1037834199.db2.gz FJWNAXNJDDDMNH-UHFFFAOYSA-N 1 2 329.288 3.603 20 0 EHADLO Cn1nc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1C(F)(F)F ZINC000929817044 1037834213 /nfs/dbraw/zinc/83/42/13/1037834213.db2.gz FJWNAXNJDDDMNH-UHFFFAOYSA-N 1 2 329.288 3.603 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082622 1037855541 /nfs/dbraw/zinc/85/55/41/1037855541.db2.gz IFCFEENFSGBDIR-UHFFFAOYSA-N 1 2 349.887 3.703 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082622 1037855562 /nfs/dbraw/zinc/85/55/62/1037855562.db2.gz IFCFEENFSGBDIR-UHFFFAOYSA-N 1 2 349.887 3.703 20 0 EHADLO Cn1ccnc1-c1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117619695 1037856713 /nfs/dbraw/zinc/85/67/13/1037856713.db2.gz VQKQSUVDQSPXNT-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119482626 1037900944 /nfs/dbraw/zinc/90/09/44/1037900944.db2.gz LTWDUPPXAKWDSI-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000120225148 1037928335 /nfs/dbraw/zinc/92/83/35/1037928335.db2.gz NBFYIUWWPBPTOP-UHFFFAOYSA-N 1 2 347.528 3.778 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183189615 1037935523 /nfs/dbraw/zinc/93/55/23/1037935523.db2.gz DBFBQBNJPPVJQY-MWDXBVQZSA-N 1 2 332.488 3.917 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183189615 1037935538 /nfs/dbraw/zinc/93/55/38/1037935538.db2.gz DBFBQBNJPPVJQY-MWDXBVQZSA-N 1 2 332.488 3.917 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 ZINC000492072586 1037947271 /nfs/dbraw/zinc/94/72/71/1037947271.db2.gz JRRNAVFKHOGOSX-XFXZXTDPSA-N 1 2 347.418 3.627 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000540459507 1037959447 /nfs/dbraw/zinc/95/94/47/1037959447.db2.gz MFELDBMHGLDESN-CYBMUJFWSA-N 1 2 330.403 3.686 20 0 EHADLO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1c(F)cccc1Cl ZINC000540477932 1037987653 /nfs/dbraw/zinc/98/76/53/1037987653.db2.gz AFFQETMEIUMKDM-RYUDHWBXSA-N 1 2 338.854 3.919 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccccc3s2)n1 ZINC000184151285 1038008318 /nfs/dbraw/zinc/00/83/18/1038008318.db2.gz WFENJMONNHFMEZ-QWRGUYRKSA-N 1 2 346.481 3.739 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000592580444 1038059805 /nfs/dbraw/zinc/05/98/05/1038059805.db2.gz PBMUDSGPCKUFBQ-UHFFFAOYSA-N 1 2 342.483 3.538 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000123916136 1038102093 /nfs/dbraw/zinc/10/20/93/1038102093.db2.gz LPCNQBILCFLJOA-IBGZPJMESA-N 1 2 341.455 3.616 20 0 EHADLO CCSc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000378197487 1038211368 /nfs/dbraw/zinc/21/13/68/1038211368.db2.gz ZHGWAJOZYVFYRI-MRXNPFEDSA-N 1 2 343.452 3.879 20 0 EHADLO CC(C)[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000651346097 1038279639 /nfs/dbraw/zinc/27/96/39/1038279639.db2.gz HJBBBZRESDCKRK-LJQANCHMSA-N 1 2 345.874 3.929 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(Br)cc1 ZINC000181121438 1038342161 /nfs/dbraw/zinc/34/21/61/1038342161.db2.gz RELWUZGMBYVFEN-SNVBAGLBSA-N 1 2 348.200 3.943 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1 ZINC000378347284 1038498430 /nfs/dbraw/zinc/49/84/30/1038498430.db2.gz VEJWGDGSYZSTFK-QPJJXVBHSA-N 1 2 348.425 3.537 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1 ZINC000378347284 1038498434 /nfs/dbraw/zinc/49/84/34/1038498434.db2.gz VEJWGDGSYZSTFK-QPJJXVBHSA-N 1 2 348.425 3.537 20 0 EHADLO Cc1nc([C@H]2CCCCN2Cc2c[nH+]c(C)n2-c2ccccc2)no1 ZINC000378349956 1038500302 /nfs/dbraw/zinc/50/03/02/1038500302.db2.gz MFYLRUCHUCXXCT-GOSISDBHSA-N 1 2 337.427 3.599 20 0 EHADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1coc(C)n1 ZINC000659955051 1038501817 /nfs/dbraw/zinc/50/18/17/1038501817.db2.gz HMMLWVPUIUSQSD-UHFFFAOYSA-N 1 2 339.233 3.646 20 0 EHADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1coc(C)n1 ZINC000659955051 1038501823 /nfs/dbraw/zinc/50/18/23/1038501823.db2.gz HMMLWVPUIUSQSD-UHFFFAOYSA-N 1 2 339.233 3.646 20 0 EHADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292182 1038537385 /nfs/dbraw/zinc/53/73/85/1038537385.db2.gz OQYOHYKNLCTXNB-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292182 1038537388 /nfs/dbraw/zinc/53/73/88/1038537388.db2.gz OQYOHYKNLCTXNB-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000538787589 1038540568 /nfs/dbraw/zinc/54/05/68/1038540568.db2.gz GORCJVDOZJVHMW-INIZCTEOSA-N 1 2 342.830 3.967 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000538787589 1038540573 /nfs/dbraw/zinc/54/05/73/1038540573.db2.gz GORCJVDOZJVHMW-INIZCTEOSA-N 1 2 342.830 3.967 20 0 EHADLO C[N@H+](Cn1nnn(C(C)(C)C)c1=S)[C@@H]1CCCc2ccccc21 ZINC000024601176 1038606860 /nfs/dbraw/zinc/60/68/60/1038606860.db2.gz AZPSXFHQBJFJIA-OAHLLOKOSA-N 1 2 331.489 3.531 20 0 EHADLO C[N@@H+](Cn1nnn(C(C)(C)C)c1=S)[C@@H]1CCCc2ccccc21 ZINC000024601176 1038606865 /nfs/dbraw/zinc/60/68/65/1038606865.db2.gz AZPSXFHQBJFJIA-OAHLLOKOSA-N 1 2 331.489 3.531 20 0 EHADLO CCC[C@@H]([NH2+]Cc1cccnc1OCCOC)c1ncccc1Cl ZINC000924681067 1038640485 /nfs/dbraw/zinc/64/04/85/1038640485.db2.gz LEGNLOQXCLJPGQ-MRXNPFEDSA-N 1 2 349.862 3.786 20 0 EHADLO CCN(CC)C(=O)c1ccc(NCc2c[nH+]cn2CC)cc1Cl ZINC000416425297 1038657626 /nfs/dbraw/zinc/65/76/26/1038657626.db2.gz CVPVTNZKMSUXAO-UHFFFAOYSA-N 1 2 334.851 3.651 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2cnn(C)n2)ccc1OC1CCCC1 ZINC000924688853 1038741033 /nfs/dbraw/zinc/74/10/33/1038741033.db2.gz OVVMHTHYVCMZKS-UONOGXRCSA-N 1 2 344.459 3.557 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH]1 ZINC000660040351 1038761814 /nfs/dbraw/zinc/76/18/14/1038761814.db2.gz CTCBQRUKJIOFAX-GFCCVEGCSA-N 1 2 339.418 3.838 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH]1 ZINC000660040351 1038761819 /nfs/dbraw/zinc/76/18/19/1038761819.db2.gz CTCBQRUKJIOFAX-GFCCVEGCSA-N 1 2 339.418 3.838 20 0 EHADLO c1csc(-c2nc3ccccc3c(NCCCCn3cc[nH+]c3)n2)c1 ZINC000539292749 1038762971 /nfs/dbraw/zinc/76/29/71/1038762971.db2.gz SUAYSCVTXUPSTP-UHFFFAOYSA-N 1 2 349.463 3.869 20 0 EHADLO CC(C)c1nc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cs1 ZINC000552035683 1038782987 /nfs/dbraw/zinc/78/29/87/1038782987.db2.gz DCQSNGPNSSKNAH-HDJSIYSDSA-N 1 2 344.484 3.815 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488046962 1038805141 /nfs/dbraw/zinc/80/51/41/1038805141.db2.gz VYGVITOJMPREDO-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488046962 1038805167 /nfs/dbraw/zinc/80/51/67/1038805167.db2.gz VYGVITOJMPREDO-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CCCn1nccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000667568766 1038844410 /nfs/dbraw/zinc/84/44/10/1038844410.db2.gz QHBSNZVWQCGVAA-IBGZPJMESA-N 1 2 337.471 4.000 20 0 EHADLO CCCn1nccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000667568766 1038844435 /nfs/dbraw/zinc/84/44/35/1038844435.db2.gz QHBSNZVWQCGVAA-IBGZPJMESA-N 1 2 337.471 4.000 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@@H](C)O[C@@](C)(C(F)F)C3)cc2c1 ZINC000668821764 1038860149 /nfs/dbraw/zinc/86/01/49/1038860149.db2.gz KSZIMTVOQQEPIA-PIGZYNQJSA-N 1 2 325.355 3.686 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@@H](C)O[C@@](C)(C(F)F)C3)cc2c1 ZINC000668821764 1038860164 /nfs/dbraw/zinc/86/01/64/1038860164.db2.gz KSZIMTVOQQEPIA-PIGZYNQJSA-N 1 2 325.355 3.686 20 0 EHADLO CCN(CCC[NH+](CC)CC)c1[nH+]c2ccccc2c(C)c1C(=O)[O-] ZINC000910361556 1038861268 /nfs/dbraw/zinc/86/12/68/1038861268.db2.gz AGQGJODXXVEBEH-UHFFFAOYSA-N 1 2 343.471 3.800 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000668825672 1038880581 /nfs/dbraw/zinc/88/05/81/1038880581.db2.gz WUOILLMFOGGCQL-ACJLOTCBSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000668825672 1038880601 /nfs/dbraw/zinc/88/06/01/1038880601.db2.gz WUOILLMFOGGCQL-ACJLOTCBSA-N 1 2 335.398 3.630 20 0 EHADLO FC(F)(F)Oc1ccccc1-c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923811291 1038894825 /nfs/dbraw/zinc/89/48/25/1038894825.db2.gz PTLNWYWDLLNMAM-NXEZZACHSA-N 1 2 336.273 3.629 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000174951707 1038922808 /nfs/dbraw/zinc/92/28/08/1038922808.db2.gz YDTUEJJLWBJKDT-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000174951707 1038922828 /nfs/dbraw/zinc/92/28/28/1038922828.db2.gz YDTUEJJLWBJKDT-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000552059282 1038924475 /nfs/dbraw/zinc/92/44/75/1038924475.db2.gz VRBAPPAHLBTQBW-SFHVURJKSA-N 1 2 345.443 3.773 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000552059282 1038924488 /nfs/dbraw/zinc/92/44/88/1038924488.db2.gz VRBAPPAHLBTQBW-SFHVURJKSA-N 1 2 345.443 3.773 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000552085345 1038944299 /nfs/dbraw/zinc/94/42/99/1038944299.db2.gz AFWFNUXZVHAAJF-XJKSGUPXSA-N 1 2 327.428 3.929 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000552085345 1038944309 /nfs/dbraw/zinc/94/43/09/1038944309.db2.gz AFWFNUXZVHAAJF-XJKSGUPXSA-N 1 2 327.428 3.929 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2)c1 ZINC000488235898 1038993620 /nfs/dbraw/zinc/99/36/20/1038993620.db2.gz UNZQPYBERWGUIA-HZPDHXFCSA-N 1 2 347.459 3.660 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2)c1 ZINC000488235898 1038993636 /nfs/dbraw/zinc/99/36/36/1038993636.db2.gz UNZQPYBERWGUIA-HZPDHXFCSA-N 1 2 347.459 3.660 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000512407700 1039032867 /nfs/dbraw/zinc/03/28/67/1039032867.db2.gz ZQKOCWOFPRXMCF-OAQYLSRUSA-N 1 2 346.430 3.678 20 0 EHADLO CCN(CC)c1ccc(NCc2c[nH]nc2-c2ccc(C)o2)c[nH+]1 ZINC000195616496 1039047081 /nfs/dbraw/zinc/04/70/81/1039047081.db2.gz YYEPZXPIKCGRSG-UHFFFAOYSA-N 1 2 325.416 3.831 20 0 EHADLO Cc1ccc([C@@H]([NH2+][C@H]2CCCNC2=O)c2ccc(F)cc2Cl)cc1 ZINC000480029755 1039055762 /nfs/dbraw/zinc/05/57/62/1039055762.db2.gz MJWWMWTTXZWLPE-ZWKOTPCHSA-N 1 2 346.833 3.745 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)nc(C(C)C)[nH+]1 ZINC000478000537 1039092775 /nfs/dbraw/zinc/09/27/75/1039092775.db2.gz UJGIWCJGQPIUPE-MRXNPFEDSA-N 1 2 341.503 3.892 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512426282 1039095852 /nfs/dbraw/zinc/09/58/52/1039095852.db2.gz FOHSYTAALKEBET-VNHYZAJKSA-N 1 2 343.298 3.849 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000552243990 1039106674 /nfs/dbraw/zinc/10/66/74/1039106674.db2.gz SVUIMTDVDDJSIQ-CRPZLVSXSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000552243990 1039106687 /nfs/dbraw/zinc/10/66/87/1039106687.db2.gz SVUIMTDVDDJSIQ-CRPZLVSXSA-N 1 2 325.399 3.592 20 0 EHADLO CO[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000279919647 1039107759 /nfs/dbraw/zinc/10/77/59/1039107759.db2.gz GMWJKXREXAVGDL-HOCLYGCPSA-N 1 2 327.428 3.919 20 0 EHADLO C[C@H](CC(=O)NCCc1ccc(-c2ccccc2)cc1)n1cc[nH+]c1 ZINC001126998727 1039117512 /nfs/dbraw/zinc/11/75/12/1039117512.db2.gz ABZNMYWQHOXFGY-QGZVFWFLSA-N 1 2 333.435 3.860 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000668844355 1039121715 /nfs/dbraw/zinc/12/17/15/1039121715.db2.gz JSGRJMHZJBHCAS-UHFFFAOYSA-N 1 2 330.432 3.743 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000668844355 1039121717 /nfs/dbraw/zinc/12/17/17/1039121717.db2.gz JSGRJMHZJBHCAS-UHFFFAOYSA-N 1 2 330.432 3.743 20 0 EHADLO CC[C@](O)(C[N@H+](C)[C@@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897845 1039171451 /nfs/dbraw/zinc/17/14/51/1039171451.db2.gz DWCMKZUJHRGEEW-HZMBPMFUSA-N 1 2 332.391 3.993 20 0 EHADLO CC[C@](O)(C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897845 1039171459 /nfs/dbraw/zinc/17/14/59/1039171459.db2.gz DWCMKZUJHRGEEW-HZMBPMFUSA-N 1 2 332.391 3.993 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)c(=O)c1 ZINC000663834547 1039180393 /nfs/dbraw/zinc/18/03/93/1039180393.db2.gz UHIGQJYQQRTOOU-HXUWFJFHSA-N 1 2 338.451 3.854 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)c(=O)c1 ZINC000663834547 1039180405 /nfs/dbraw/zinc/18/04/05/1039180405.db2.gz UHIGQJYQQRTOOU-HXUWFJFHSA-N 1 2 338.451 3.854 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000432791639 1039198843 /nfs/dbraw/zinc/19/88/43/1039198843.db2.gz HETVRYFPKWEWJK-UHFFFAOYSA-N 1 2 348.441 3.835 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(C(F)(F)F)cnn1C)CCC2 ZINC000667630154 1039227445 /nfs/dbraw/zinc/22/74/45/1039227445.db2.gz XSZCZWMVWPLONR-LBPRGKRZSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C(F)(F)F)cnn1C)CCC2 ZINC000667630154 1039227470 /nfs/dbraw/zinc/22/74/70/1039227470.db2.gz XSZCZWMVWPLONR-LBPRGKRZSA-N 1 2 344.406 3.713 20 0 EHADLO CC1(C)C[C@@H](c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)CCO1 ZINC000906115694 1039316822 /nfs/dbraw/zinc/31/68/22/1039316822.db2.gz IBASIOFAXBAHTI-HNNXBMFYSA-N 1 2 338.411 3.519 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000488675732 1039336296 /nfs/dbraw/zinc/33/62/96/1039336296.db2.gz XINGKQMVDHPIKZ-SCLBCKFNSA-N 1 2 330.378 3.763 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000488675732 1039336304 /nfs/dbraw/zinc/33/63/04/1039336304.db2.gz XINGKQMVDHPIKZ-SCLBCKFNSA-N 1 2 330.378 3.763 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(Cc3ccccc3F)CC2)[nH]1 ZINC000432812787 1039340054 /nfs/dbraw/zinc/34/00/54/1039340054.db2.gz KAZJPTXEENAEEV-UHFFFAOYSA-N 1 2 330.451 3.696 20 0 EHADLO Cc1ccccc1NC(=S)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000044129579 1039396919 /nfs/dbraw/zinc/39/69/19/1039396919.db2.gz YSIZFINRLOMPHF-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000485687137 1039403986 /nfs/dbraw/zinc/40/39/86/1039403986.db2.gz BNGFPDOPZWVACK-WZPWBUNQSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000485687137 1039403993 /nfs/dbraw/zinc/40/39/93/1039403993.db2.gz BNGFPDOPZWVACK-WZPWBUNQSA-N 1 2 336.426 3.653 20 0 EHADLO CC[N@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc(F)c1 ZINC000051588387 1039412695 /nfs/dbraw/zinc/41/26/95/1039412695.db2.gz XLVSXMJHVVTUHD-UHFFFAOYSA-N 1 2 328.416 3.761 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc(F)c1 ZINC000051588387 1039412704 /nfs/dbraw/zinc/41/27/04/1039412704.db2.gz XLVSXMJHVVTUHD-UHFFFAOYSA-N 1 2 328.416 3.761 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)c[nH+]1 ZINC000911610779 1039430905 /nfs/dbraw/zinc/43/09/05/1039430905.db2.gz YVQWYDDXMFJINA-UHFFFAOYSA-N 1 2 343.427 3.521 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700722 1039448524 /nfs/dbraw/zinc/44/85/24/1039448524.db2.gz ZLKANCYAILDRIK-QWHCGFSZSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700722 1039448536 /nfs/dbraw/zinc/44/85/36/1039448536.db2.gz ZLKANCYAILDRIK-QWHCGFSZSA-N 1 2 325.733 3.757 20 0 EHADLO CC(=O)CCn1cc(C[N@H+](Cc2cccc(Cl)c2)CC(C)C)nn1 ZINC000906317689 1039451119 /nfs/dbraw/zinc/45/11/19/1039451119.db2.gz QJBMKJTYRNIXND-UHFFFAOYSA-N 1 2 348.878 3.569 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+](Cc2cccc(Cl)c2)CC(C)C)nn1 ZINC000906317689 1039451129 /nfs/dbraw/zinc/45/11/29/1039451129.db2.gz QJBMKJTYRNIXND-UHFFFAOYSA-N 1 2 348.878 3.569 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720669 1039460800 /nfs/dbraw/zinc/46/08/00/1039460800.db2.gz JPKPHNHNZWNTSE-IAGOWNOFSA-N 1 2 336.426 3.797 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720669 1039460807 /nfs/dbraw/zinc/46/08/07/1039460807.db2.gz JPKPHNHNZWNTSE-IAGOWNOFSA-N 1 2 336.426 3.797 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720671 1039462225 /nfs/dbraw/zinc/46/22/25/1039462225.db2.gz JPKPHNHNZWNTSE-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720671 1039462231 /nfs/dbraw/zinc/46/22/31/1039462231.db2.gz JPKPHNHNZWNTSE-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485722391 1039462363 /nfs/dbraw/zinc/46/23/63/1039462363.db2.gz XQRMAFILGWCTOR-SNVBAGLBSA-N 1 2 347.286 3.737 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485722391 1039462370 /nfs/dbraw/zinc/46/23/70/1039462370.db2.gz XQRMAFILGWCTOR-SNVBAGLBSA-N 1 2 347.286 3.737 20 0 EHADLO CSc1ccc(Cl)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000064562652 1039486687 /nfs/dbraw/zinc/48/66/87/1039486687.db2.gz OYBGTQIXNHLZBX-UHFFFAOYSA-N 1 2 338.864 3.860 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cn2)cc1 ZINC000667667189 1039490465 /nfs/dbraw/zinc/49/04/65/1039490465.db2.gz HICSTOYNQWQQMD-SFHVURJKSA-N 1 2 328.387 3.624 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cn2)cc1 ZINC000667667189 1039490473 /nfs/dbraw/zinc/49/04/73/1039490473.db2.gz HICSTOYNQWQQMD-SFHVURJKSA-N 1 2 328.387 3.624 20 0 EHADLO CN(CCCc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000584689193 1039513038 /nfs/dbraw/zinc/51/30/38/1039513038.db2.gz BMZXJZFZOGHVCD-UHFFFAOYSA-N 1 2 347.462 3.565 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1C ZINC000500843068 1039567270 /nfs/dbraw/zinc/56/72/70/1039567270.db2.gz ZCXGJOFVCKYOFK-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1C ZINC000500843068 1039567286 /nfs/dbraw/zinc/56/72/86/1039567286.db2.gz ZCXGJOFVCKYOFK-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC2(CC2(F)F)CC1 ZINC000911894963 1039568941 /nfs/dbraw/zinc/56/89/41/1039568941.db2.gz WLPLDUUFDHKZGG-UHFFFAOYSA-N 1 2 343.377 3.509 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000064635747 1039578413 /nfs/dbraw/zinc/57/84/13/1039578413.db2.gz JPLNICYPEUBTNS-ZDUSSCGKSA-N 1 2 336.423 3.836 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000064635747 1039578432 /nfs/dbraw/zinc/57/84/32/1039578432.db2.gz JPLNICYPEUBTNS-ZDUSSCGKSA-N 1 2 336.423 3.836 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[C@@H]([NH3+])C(F)F)n2)cc1C ZINC000911990455 1039623538 /nfs/dbraw/zinc/62/35/38/1039623538.db2.gz SWJHTMXGISDKRU-GFCCVEGCSA-N 1 2 339.411 3.656 20 0 EHADLO CCc1cc(N2CCN(c3cccc4cnccc43)C[C@@H]2C)nc(C)[nH+]1 ZINC000447686983 1039632579 /nfs/dbraw/zinc/63/25/79/1039632579.db2.gz HEZNIXKQNVIIOH-HNNXBMFYSA-N 1 2 347.466 3.611 20 0 EHADLO CCCCC[N@H+](CCO)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645802145 1039646859 /nfs/dbraw/zinc/64/68/59/1039646859.db2.gz WJIANHHVAWPZGC-UHFFFAOYSA-N 1 2 341.814 3.514 20 0 EHADLO CCCCC[N@@H+](CCO)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645802145 1039646869 /nfs/dbraw/zinc/64/68/69/1039646869.db2.gz WJIANHHVAWPZGC-UHFFFAOYSA-N 1 2 341.814 3.514 20 0 EHADLO COc1c(F)cccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001143532225 1039656472 /nfs/dbraw/zinc/65/64/72/1039656472.db2.gz CVHKBRQXEFRAFQ-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(F)c1F ZINC000667691548 1039660240 /nfs/dbraw/zinc/66/02/40/1039660240.db2.gz DSSAPFSCWIVANC-GFCCVEGCSA-N 1 2 337.345 3.744 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(F)c1F ZINC000667691548 1039660250 /nfs/dbraw/zinc/66/02/50/1039660250.db2.gz DSSAPFSCWIVANC-GFCCVEGCSA-N 1 2 337.345 3.744 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@@H](C)c1ccccc1)C2 ZINC000364075435 1039664054 /nfs/dbraw/zinc/66/40/54/1039664054.db2.gz STYJIKJATUQXHR-BFYDXBDKSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@@H](C)c1ccccc1)CC2 ZINC000364075435 1039664061 /nfs/dbraw/zinc/66/40/61/1039664061.db2.gz STYJIKJATUQXHR-BFYDXBDKSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)(CNC(=O)C1(c2ccccc2Cl)CCC1)n1cc[nH+]c1 ZINC000898909670 1039697126 /nfs/dbraw/zinc/69/71/26/1039697126.db2.gz FESFVNYHNZHNCZ-UHFFFAOYSA-N 1 2 331.847 3.510 20 0 EHADLO O=C(CNc1cc[nH+]c2c(Cl)cccc12)NCCc1ccccc1 ZINC000553008527 1039702495 /nfs/dbraw/zinc/70/24/95/1039702495.db2.gz LBYVNWFZYNVGNS-UHFFFAOYSA-N 1 2 339.826 3.659 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000419206625 1039725365 /nfs/dbraw/zinc/72/53/65/1039725365.db2.gz NGIGWNQHDUQIMY-FQEVSTJZSA-N 1 2 338.426 3.813 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC=CCCC1 ZINC000906762215 1039737108 /nfs/dbraw/zinc/73/71/08/1039737108.db2.gz SMSWJHMIKAESQJ-LJQANCHMSA-N 1 2 342.483 3.902 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511623238 1039749056 /nfs/dbraw/zinc/74/90/56/1039749056.db2.gz NDJFIUGZRREIJV-JTOWHCCKSA-N 1 2 334.891 3.980 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511623238 1039749072 /nfs/dbraw/zinc/74/90/72/1039749072.db2.gz NDJFIUGZRREIJV-JTOWHCCKSA-N 1 2 334.891 3.980 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000781891580 1039803579 /nfs/dbraw/zinc/80/35/79/1039803579.db2.gz ZALCCLBAUJBWAS-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000781891580 1039803597 /nfs/dbraw/zinc/80/35/97/1039803597.db2.gz ZALCCLBAUJBWAS-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000554852336 1039835334 /nfs/dbraw/zinc/83/53/34/1039835334.db2.gz DLVKJQPCMDEPQZ-IRXDYDNUSA-N 1 2 327.827 3.754 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000554852336 1039835354 /nfs/dbraw/zinc/83/53/54/1039835354.db2.gz DLVKJQPCMDEPQZ-IRXDYDNUSA-N 1 2 327.827 3.754 20 0 EHADLO Cc1cc(Cl)cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c1 ZINC000549780674 1039843514 /nfs/dbraw/zinc/84/35/14/1039843514.db2.gz IPMTYICYORSBDA-UHFFFAOYSA-N 1 2 345.874 3.864 20 0 EHADLO [NH3+][C@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(F)F ZINC000912395755 1039871325 /nfs/dbraw/zinc/87/13/25/1039871325.db2.gz SSKMXBRDBWBDMY-VXGBXAGGSA-N 1 2 337.197 3.639 20 0 EHADLO OC[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)Cc1ccc(F)c(F)c1 ZINC000553244825 1039911363 /nfs/dbraw/zinc/91/13/63/1039911363.db2.gz AYSYYKJABQPOPV-NSHDSACASA-N 1 2 346.299 3.642 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000293065553 1039912434 /nfs/dbraw/zinc/91/24/34/1039912434.db2.gz ZGRGJDAXJCGONH-JTQLQIEISA-N 1 2 340.290 3.755 20 0 EHADLO CCCc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)sc1C ZINC000553293247 1039938098 /nfs/dbraw/zinc/93/80/98/1039938098.db2.gz DIEBJFXGBAUPQJ-UHFFFAOYSA-N 1 2 340.452 3.901 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)[C@@H]2CC2(C)C)cs1 ZINC000489401467 1039940503 /nfs/dbraw/zinc/94/05/03/1039940503.db2.gz JOSSGPXSMBFQKG-MRXNPFEDSA-N 1 2 343.496 3.863 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)[C@@H]2CC2(C)C)cs1 ZINC000489401467 1039940518 /nfs/dbraw/zinc/94/05/18/1039940518.db2.gz JOSSGPXSMBFQKG-MRXNPFEDSA-N 1 2 343.496 3.863 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[NH+]1Cc2ccccc2C1 ZINC000894006857 1039948672 /nfs/dbraw/zinc/94/86/72/1039948672.db2.gz YFDVHEAKPDPJJW-AWEZNQCLSA-N 1 2 326.387 3.551 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C3CCC3)cc2)no1 ZINC000549823035 1039971635 /nfs/dbraw/zinc/97/16/35/1039971635.db2.gz OCJVXEXOYIHCPM-UHFFFAOYSA-N 1 2 328.412 3.754 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000894069316 1040036666 /nfs/dbraw/zinc/03/66/66/1040036666.db2.gz BYHPFCUQFUHIKK-ZDUSSCGKSA-N 1 2 348.493 3.544 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000894069316 1040036686 /nfs/dbraw/zinc/03/66/86/1040036686.db2.gz BYHPFCUQFUHIKK-ZDUSSCGKSA-N 1 2 348.493 3.544 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1C ZINC000554999374 1040041814 /nfs/dbraw/zinc/04/18/14/1040041814.db2.gz APACQWGMZYYFEN-UHFFFAOYSA-N 1 2 338.411 3.624 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)[NH+]1CC(C)C1 ZINC000553419229 1040043155 /nfs/dbraw/zinc/04/31/55/1040043155.db2.gz MVBHQHIUQGSDCS-ZDUSSCGKSA-N 1 2 345.830 3.806 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)on1 ZINC000924847524 1040084250 /nfs/dbraw/zinc/08/42/50/1040084250.db2.gz GKYYUTCSCHJBNL-RYUDHWBXSA-N 1 2 344.390 3.728 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161927710 1040092072 /nfs/dbraw/zinc/09/20/72/1040092072.db2.gz YMWDSLLNNRAERP-CXAGYDPISA-N 1 2 331.847 3.612 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000480901230 1040133262 /nfs/dbraw/zinc/13/32/62/1040133262.db2.gz SOWREJUYQAFLML-SECBINFHSA-N 1 2 325.733 3.929 20 0 EHADLO CCCC[N@H+](C)Cc1c(Br)cncc1Br ZINC000555093056 1040138001 /nfs/dbraw/zinc/13/80/01/1040138001.db2.gz ZHJQZJRVRTZDNB-UHFFFAOYSA-N 1 2 336.071 3.839 20 0 EHADLO CCCC[N@@H+](C)Cc1c(Br)cncc1Br ZINC000555093056 1040138013 /nfs/dbraw/zinc/13/80/13/1040138013.db2.gz ZHJQZJRVRTZDNB-UHFFFAOYSA-N 1 2 336.071 3.839 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(Cl)cc2OC(C)C)c[nH+]1 ZINC000899203064 1040160773 /nfs/dbraw/zinc/16/07/73/1040160773.db2.gz GBLIVHGEVZKMOB-UHFFFAOYSA-N 1 2 349.862 3.684 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1Cl ZINC000555105544 1040167824 /nfs/dbraw/zinc/16/78/24/1040167824.db2.gz CGUMSDWVQNFKSS-ZDUSSCGKSA-N 1 2 340.254 3.954 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1Cl ZINC000555105544 1040167841 /nfs/dbraw/zinc/16/78/41/1040167841.db2.gz CGUMSDWVQNFKSS-ZDUSSCGKSA-N 1 2 340.254 3.954 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Br)[C@H]1[C@@H]1CCCO1 ZINC000584868579 1040169632 /nfs/dbraw/zinc/16/96/32/1040169632.db2.gz LEUSRSFDCUMCFK-GJZGRUSLSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Br)[C@H]1[C@@H]1CCCO1 ZINC000584868579 1040169639 /nfs/dbraw/zinc/16/96/39/1040169639.db2.gz LEUSRSFDCUMCFK-GJZGRUSLSA-N 1 2 342.252 3.978 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660266879 1040173095 /nfs/dbraw/zinc/17/30/95/1040173095.db2.gz YHBNOCRKUHECND-OAHLLOKOSA-N 1 2 327.476 3.682 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000584872949 1040176337 /nfs/dbraw/zinc/17/63/37/1040176337.db2.gz JQEKMMSUGNZWPH-AZUAARDMSA-N 1 2 333.435 3.882 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCCSC1 ZINC000907814732 1040180390 /nfs/dbraw/zinc/18/03/90/1040180390.db2.gz HHLJSEDXGVVBOM-HUUCEWRRSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCCSC1 ZINC000907814732 1040180409 /nfs/dbraw/zinc/18/04/09/1040180409.db2.gz HHLJSEDXGVVBOM-HUUCEWRRSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccoc1Cl ZINC000907813691 1040181713 /nfs/dbraw/zinc/18/17/13/1040181713.db2.gz CGSMODMUVIGSFX-GFCCVEGCSA-N 1 2 347.846 3.991 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccoc1Cl ZINC000907813691 1040181722 /nfs/dbraw/zinc/18/17/22/1040181722.db2.gz CGSMODMUVIGSFX-GFCCVEGCSA-N 1 2 347.846 3.991 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccco1 ZINC000907816704 1040183825 /nfs/dbraw/zinc/18/38/25/1040183825.db2.gz XFURFNLGVSJALC-DZGCQCFKSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccco1 ZINC000907816704 1040183835 /nfs/dbraw/zinc/18/38/35/1040183835.db2.gz XFURFNLGVSJALC-DZGCQCFKSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCC1 ZINC000907815996 1040184349 /nfs/dbraw/zinc/18/43/49/1040184349.db2.gz QBSXJEFQFMNDML-XJKSGUPXSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCC1 ZINC000907815996 1040184358 /nfs/dbraw/zinc/18/43/58/1040184358.db2.gz QBSXJEFQFMNDML-XJKSGUPXSA-N 1 2 329.488 3.867 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000432922707 1040184921 /nfs/dbraw/zinc/18/49/21/1040184921.db2.gz PEBCIAGTRGIJOC-TUKIKUTGSA-N 1 2 329.362 3.883 20 0 EHADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000584878229 1040187228 /nfs/dbraw/zinc/18/72/28/1040187228.db2.gz MGZXEUCPDLGUEL-IXDOHACOSA-N 1 2 346.519 3.772 20 0 EHADLO Cc1cnc2c(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cccc2c1Cl ZINC000912751470 1040222105 /nfs/dbraw/zinc/22/21/05/1040222105.db2.gz HXSDCISVLMCKHN-LBPRGKRZSA-N 1 2 340.814 3.594 20 0 EHADLO CCn1nc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1C1CC1 ZINC000907905822 1040226310 /nfs/dbraw/zinc/22/63/10/1040226310.db2.gz HTRGGLLFSAAURB-UHFFFAOYSA-N 1 2 335.411 3.731 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967574 1040243177 /nfs/dbraw/zinc/24/31/77/1040243177.db2.gz YAUWAHRUTNIGMF-AWEZNQCLSA-N 1 2 330.403 3.569 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967574 1040243189 /nfs/dbraw/zinc/24/31/89/1040243189.db2.gz YAUWAHRUTNIGMF-AWEZNQCLSA-N 1 2 330.403 3.569 20 0 EHADLO O=C(c1coc2ccc(F)cc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000648717096 1040325047 /nfs/dbraw/zinc/32/50/47/1040325047.db2.gz GPJWFEJIQXBQLR-UHFFFAOYSA-N 1 2 344.411 3.591 20 0 EHADLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000668672045 1040368987 /nfs/dbraw/zinc/36/89/87/1040368987.db2.gz FFSXPIOEVUQGEX-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000668672045 1040369006 /nfs/dbraw/zinc/36/90/06/1040369006.db2.gz FFSXPIOEVUQGEX-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000669033287 1040370087 /nfs/dbraw/zinc/37/00/87/1040370087.db2.gz LESBRMLFHQSROH-HUUCEWRRSA-N 1 2 343.496 3.603 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000668672762 1040392455 /nfs/dbraw/zinc/39/24/55/1040392455.db2.gz BKEHEBZEDWNJJA-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000668672762 1040392462 /nfs/dbraw/zinc/39/24/62/1040392462.db2.gz BKEHEBZEDWNJJA-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO CCn1c[nH+]cc1CN1CCc2c(Br)cccc2[C@H]1C ZINC000417991119 1040415577 /nfs/dbraw/zinc/41/55/77/1040415577.db2.gz RSPRKIUPQOXLGH-GFCCVEGCSA-N 1 2 334.261 3.785 20 0 EHADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH+]1CCOCC1 ZINC000411125889 1040472798 /nfs/dbraw/zinc/47/27/98/1040472798.db2.gz LINWICRRWAFZMS-UHFFFAOYSA-N 1 2 342.386 3.970 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000433024868 1040487798 /nfs/dbraw/zinc/48/77/98/1040487798.db2.gz ZLRYHAZYTFPNBU-ZAMGYDSWSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000433024868 1040487811 /nfs/dbraw/zinc/48/78/11/1040487811.db2.gz ZLRYHAZYTFPNBU-ZAMGYDSWSA-N 1 2 335.444 3.595 20 0 EHADLO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1F ZINC000192959741 1040503739 /nfs/dbraw/zinc/50/37/39/1040503739.db2.gz GMGXYGFTWFRGPH-ZAMGYDSWSA-N 1 2 335.444 3.765 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1F ZINC000192959741 1040503759 /nfs/dbraw/zinc/50/37/59/1040503759.db2.gz GMGXYGFTWFRGPH-ZAMGYDSWSA-N 1 2 335.444 3.765 20 0 EHADLO CCCCNC(=S)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000912969394 1040512460 /nfs/dbraw/zinc/51/24/60/1040512460.db2.gz UHQPIXTVWGTSOV-AWEZNQCLSA-N 1 2 339.936 3.693 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000512700989 1040566427 /nfs/dbraw/zinc/56/64/27/1040566427.db2.gz GOKIYTQFGDMHSJ-MDNKFWRPSA-N 1 2 349.478 3.606 20 0 EHADLO C[C@H](CN=c1[nH]c2cc(Cl)cc(Cl)c2o1)Cn1cc[nH+]c1 ZINC000433052052 1040567423 /nfs/dbraw/zinc/56/74/23/1040567423.db2.gz KMRSTEPEOHJYFG-SECBINFHSA-N 1 2 325.199 3.501 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000486948678 1040579634 /nfs/dbraw/zinc/57/96/34/1040579634.db2.gz VACXVAYBMUFRIJ-GOSISDBHSA-N 1 2 332.492 3.808 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C/C=C/c1ccncc1)c1ccc(Cl)cc1 ZINC000486935720 1040583680 /nfs/dbraw/zinc/58/36/80/1040583680.db2.gz MBGNRBQGKRDVNU-DCKQQPRJSA-N 1 2 338.842 3.861 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)CCc1ccncc1 ZINC000486937089 1040584609 /nfs/dbraw/zinc/58/46/09/1040584609.db2.gz GSQRLTZYWHSSQA-UHFFFAOYSA-N 1 2 349.434 3.794 20 0 EHADLO CC(C)c1noc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951523 1040624887 /nfs/dbraw/zinc/62/48/87/1040624887.db2.gz HHGXNTVDSUAPAG-JKSUJKDBSA-N 1 2 329.444 3.871 20 0 EHADLO CC(C)c1noc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000553951523 1040624891 /nfs/dbraw/zinc/62/48/91/1040624891.db2.gz HHGXNTVDSUAPAG-JKSUJKDBSA-N 1 2 329.444 3.871 20 0 EHADLO CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000152230177 1040647881 /nfs/dbraw/zinc/64/78/81/1040647881.db2.gz BYBJSVUPKQTTLQ-HNNXBMFYSA-N 1 2 345.270 3.823 20 0 EHADLO CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000152230177 1040647886 /nfs/dbraw/zinc/64/78/86/1040647886.db2.gz BYBJSVUPKQTTLQ-HNNXBMFYSA-N 1 2 345.270 3.823 20 0 EHADLO O=C(/C=C\c1cc2ccccc2o1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000490761592 1040735874 /nfs/dbraw/zinc/73/58/74/1040735874.db2.gz CVTCPTMRWFMOPO-FPLPWBNLSA-N 1 2 347.418 3.758 20 0 EHADLO CC(C)C[C@@H](c1nc([C@H]2Cc3ccc(F)cc32)no1)n1cc[nH+]c1 ZINC000924151892 1040781158 /nfs/dbraw/zinc/78/11/58/1040781158.db2.gz UGSYASUBDSFBJW-HOTGVXAUSA-N 1 2 326.375 3.729 20 0 EHADLO CC(C)(c1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CCOCC1 ZINC001211774911 1040804224 /nfs/dbraw/zinc/80/42/24/1040804224.db2.gz VUXGQPLDXKLLIR-UHFFFAOYSA-N 1 2 338.411 3.627 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668769608 1040858492 /nfs/dbraw/zinc/85/84/92/1040858492.db2.gz DYVGYMAYALPLQK-AWEZNQCLSA-N 1 2 330.451 3.552 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668769608 1040858504 /nfs/dbraw/zinc/85/85/04/1040858504.db2.gz DYVGYMAYALPLQK-AWEZNQCLSA-N 1 2 330.451 3.552 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3nc(-c4ccc(C)cc4)cs3)C2)n[nH]1 ZINC000569809767 1040863662 /nfs/dbraw/zinc/86/36/62/1040863662.db2.gz CCOURKWSVHLHQP-OAHLLOKOSA-N 1 2 339.468 3.535 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc(C)cc4)cs3)C2)n[nH]1 ZINC000569809767 1040863679 /nfs/dbraw/zinc/86/36/79/1040863679.db2.gz CCOURKWSVHLHQP-OAHLLOKOSA-N 1 2 339.468 3.535 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)ns1 ZINC000157241036 1040874767 /nfs/dbraw/zinc/87/47/67/1040874767.db2.gz LLLPSEZNIHYOKO-INIZCTEOSA-N 1 2 330.501 3.591 20 0 EHADLO CN(C)c1nc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)ns1 ZINC000157241036 1040874779 /nfs/dbraw/zinc/87/47/79/1040874779.db2.gz LLLPSEZNIHYOKO-INIZCTEOSA-N 1 2 330.501 3.591 20 0 EHADLO CN(C)c1cccc(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001211789140 1040891570 /nfs/dbraw/zinc/89/15/70/1040891570.db2.gz HEHUWEWKZQWEHM-UHFFFAOYSA-N 1 2 345.406 3.579 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000481457848 1040930158 /nfs/dbraw/zinc/93/01/58/1040930158.db2.gz GQIWQUQRQQIMFH-NHYWBVRUSA-N 1 2 337.851 3.886 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000054733754 1040987368 /nfs/dbraw/zinc/98/73/68/1040987368.db2.gz TVJHPMQXYKWCQW-CQSZACIVSA-N 1 2 349.525 3.706 20 0 EHADLO Cc1ccc(CCCNC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000586708816 1040993295 /nfs/dbraw/zinc/99/32/95/1040993295.db2.gz QAWNWYPPPBTWDS-UHFFFAOYSA-N 1 2 335.451 3.551 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCc4c3cccc4Cl)[nH+]c12 ZINC000586755063 1040997790 /nfs/dbraw/zinc/99/77/90/1040997790.db2.gz XVCCDDSHGZRQMT-KRWDZBQOSA-N 1 2 339.826 3.642 20 0 EHADLO O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CC[NH+](C2CC2)CC1 ZINC000429873288 1041005131 /nfs/dbraw/zinc/00/51/31/1041005131.db2.gz YFMNZSMTCWBHHE-UHFFFAOYSA-N 1 2 346.883 3.989 20 0 EHADLO CCN(c1ccccc1)c1cc(NCCCCn2cc[nH+]c2)ncn1 ZINC000555750717 1041081517 /nfs/dbraw/zinc/08/15/17/1041081517.db2.gz YXTPUKKHKGOFFN-UHFFFAOYSA-N 1 2 336.443 3.723 20 0 EHADLO FC(F)n1c2ccccc2nc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419288196 1041100657 /nfs/dbraw/zinc/10/06/57/1041100657.db2.gz RDMAUZDVFSAXRX-UHFFFAOYSA-N 1 2 335.398 3.965 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000570939778 1041120593 /nfs/dbraw/zinc/12/05/93/1041120593.db2.gz MHCQRTUHIIVYPG-HOTGVXAUSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000570939778 1041120598 /nfs/dbraw/zinc/12/05/98/1041120598.db2.gz MHCQRTUHIIVYPG-HOTGVXAUSA-N 1 2 325.456 3.605 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cccc2c1OCCO2 ZINC000109472252 1041178845 /nfs/dbraw/zinc/17/88/45/1041178845.db2.gz HAZMOOQJOUFFBE-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000109472252 1041178850 /nfs/dbraw/zinc/17/88/50/1041178850.db2.gz HAZMOOQJOUFFBE-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]CC3=CCCOC3)c3ccccc3)n2)cc1 ZINC000487937285 1041195456 /nfs/dbraw/zinc/19/54/56/1041195456.db2.gz WWWZYLFQGGDPRD-LJQANCHMSA-N 1 2 347.418 3.762 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000669188416 1041226574 /nfs/dbraw/zinc/22/65/74/1041226574.db2.gz WAYOKWQJLJYAEM-UZLBHIALSA-N 1 2 345.446 3.905 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433295971 1041249359 /nfs/dbraw/zinc/24/93/59/1041249359.db2.gz GKTFPZRNCDPEGT-MRXNPFEDSA-N 1 2 349.883 3.603 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433295971 1041249372 /nfs/dbraw/zinc/24/93/72/1041249372.db2.gz GKTFPZRNCDPEGT-MRXNPFEDSA-N 1 2 349.883 3.603 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(C(C)C)n2ccccc12 ZINC000571290192 1041256918 /nfs/dbraw/zinc/25/69/18/1041256918.db2.gz KAZAZCCEXYFNEN-UHFFFAOYSA-N 1 2 339.487 3.849 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(C(C)C)n2ccccc12 ZINC000571290192 1041256928 /nfs/dbraw/zinc/25/69/28/1041256928.db2.gz KAZAZCCEXYFNEN-UHFFFAOYSA-N 1 2 339.487 3.849 20 0 EHADLO Cc1nc([C@@](C)([NH2+]CCOc2cccc3ccccc32)C2CC2)no1 ZINC000433327332 1041290595 /nfs/dbraw/zinc/29/05/95/1041290595.db2.gz RTZRJTNEGXBAGE-FQEVSTJZSA-N 1 2 337.423 3.825 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(OC)ns1 ZINC000660432901 1041317066 /nfs/dbraw/zinc/31/70/66/1041317066.db2.gz QLKQAYSGBGCHGT-AWEZNQCLSA-N 1 2 326.849 3.625 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(OC)ns1 ZINC000660432901 1041317075 /nfs/dbraw/zinc/31/70/75/1041317075.db2.gz QLKQAYSGBGCHGT-AWEZNQCLSA-N 1 2 326.849 3.625 20 0 EHADLO C[C@H](c1nc(C2(c3ccc(Br)cc3)CC2)no1)[NH+](C)C ZINC000924159417 1041454311 /nfs/dbraw/zinc/45/43/11/1041454311.db2.gz DOPQPPAOBITMNO-SNVBAGLBSA-N 1 2 336.233 3.535 20 0 EHADLO COc1cccc(NC2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)c1 ZINC000110036880 1041498240 /nfs/dbraw/zinc/49/82/40/1041498240.db2.gz HUCGAMUUEXIYSY-AWEZNQCLSA-N 1 2 344.459 3.839 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000110105563 1041501235 /nfs/dbraw/zinc/50/12/35/1041501235.db2.gz BQCYPIOXYPBGKD-UHFFFAOYSA-N 1 2 334.375 3.917 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1sncc1Br ZINC001167767719 1041623154 /nfs/dbraw/zinc/62/31/54/1041623154.db2.gz ZZSDEAJISAJCIU-QWHCGFSZSA-N 1 2 347.322 3.931 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1sncc1Br ZINC001167767719 1041623151 /nfs/dbraw/zinc/62/31/51/1041623151.db2.gz ZZSDEAJISAJCIU-QWHCGFSZSA-N 1 2 347.322 3.931 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3C[C@H]3C3CC3)n2)C1 ZINC000652113065 1041623316 /nfs/dbraw/zinc/62/33/16/1041623316.db2.gz LVPPNNZWWNAKTE-NOLJZWGESA-N 1 2 348.516 3.543 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3C[C@H]3C3CC3)n2)C1 ZINC000652113065 1041623318 /nfs/dbraw/zinc/62/33/18/1041623318.db2.gz LVPPNNZWWNAKTE-NOLJZWGESA-N 1 2 348.516 3.543 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)OC1CCCCC1)c1ccccc1 ZINC000866891952 1041676262 /nfs/dbraw/zinc/67/62/62/1041676262.db2.gz OLBFCOHHBVLCNY-KRWDZBQOSA-N 1 2 327.428 3.763 20 0 EHADLO c1c2ccccc2sc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000432173101 1041687015 /nfs/dbraw/zinc/68/70/15/1041687015.db2.gz AUVHQQXVTLKWAD-UHFFFAOYSA-N 1 2 342.493 3.857 20 0 EHADLO c1c2ccccc2sc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000432173101 1041687017 /nfs/dbraw/zinc/68/70/17/1041687017.db2.gz AUVHQQXVTLKWAD-UHFFFAOYSA-N 1 2 342.493 3.857 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1cncs1 ZINC000164334097 1042018795 /nfs/dbraw/zinc/01/87/95/1042018795.db2.gz DMDVFCPTERWVFI-HNNXBMFYSA-N 1 2 326.469 3.823 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccccc2F)CC2CC2)cc(C)[nH+]1 ZINC000661329779 1042068607 /nfs/dbraw/zinc/06/86/07/1042068607.db2.gz DOABFXAQAHUAOM-UHFFFAOYSA-N 1 2 341.430 3.959 20 0 EHADLO CC[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC001137568699 1042140033 /nfs/dbraw/zinc/14/00/33/1042140033.db2.gz KXIYKXBDMZVPFO-AWEZNQCLSA-N 1 2 338.442 3.629 20 0 EHADLO CC[N@H+]1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC001137568699 1042140036 /nfs/dbraw/zinc/14/00/36/1042140036.db2.gz KXIYKXBDMZVPFO-AWEZNQCLSA-N 1 2 338.442 3.629 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1F ZINC000661488840 1042145371 /nfs/dbraw/zinc/14/53/71/1042145371.db2.gz YHBMHNDGQVBXOK-QGZVFWFLSA-N 1 2 326.375 3.758 20 0 EHADLO COc1cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)ccn1 ZINC000661542591 1042179705 /nfs/dbraw/zinc/17/97/05/1042179705.db2.gz YFLSMDIYYKORMX-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)ccn1 ZINC000661542591 1042179709 /nfs/dbraw/zinc/17/97/09/1042179709.db2.gz YFLSMDIYYKORMX-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccncc1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661541853 1042179975 /nfs/dbraw/zinc/17/99/75/1042179975.db2.gz TZJLMDNQXHJHRQ-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccncc1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661541853 1042179978 /nfs/dbraw/zinc/17/99/78/1042179978.db2.gz TZJLMDNQXHJHRQ-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000661549893 1042182372 /nfs/dbraw/zinc/18/23/72/1042182372.db2.gz WOLQTFCXCGJGFT-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000661549893 1042182378 /nfs/dbraw/zinc/18/23/78/1042182378.db2.gz WOLQTFCXCGJGFT-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000661638411 1042221949 /nfs/dbraw/zinc/22/19/49/1042221949.db2.gz GSHJTQJXGPIZFN-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000661638411 1042221956 /nfs/dbraw/zinc/22/19/56/1042221956.db2.gz GSHJTQJXGPIZFN-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)nn1 ZINC000651949904 1042233719 /nfs/dbraw/zinc/23/37/19/1042233719.db2.gz XUFBEJNPBGIIFI-OAHLLOKOSA-N 1 2 332.423 3.564 20 0 EHADLO Fc1cccc([C@@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000661734043 1042290364 /nfs/dbraw/zinc/29/03/64/1042290364.db2.gz NYHZKIQYGOEIDY-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873299 1042379711 /nfs/dbraw/zinc/37/97/11/1042379711.db2.gz FHKCAPAXSIBINS-DLBZAZTESA-N 1 2 333.476 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873299 1042379716 /nfs/dbraw/zinc/37/97/16/1042379716.db2.gz FHKCAPAXSIBINS-DLBZAZTESA-N 1 2 333.476 3.898 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(OC)c1Cl)c1nnc2n1CCCCC2 ZINC000661942601 1042420806 /nfs/dbraw/zinc/42/08/06/1042420806.db2.gz SKGREIFJWFEIDB-CQSZACIVSA-N 1 2 348.878 3.907 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997664 1042454733 /nfs/dbraw/zinc/45/47/33/1042454733.db2.gz MRRXCYQHEHZVEJ-GFCCVEGCSA-N 1 2 345.468 3.750 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997664 1042454736 /nfs/dbraw/zinc/45/47/36/1042454736.db2.gz MRRXCYQHEHZVEJ-GFCCVEGCSA-N 1 2 345.468 3.750 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nccs1 ZINC000184421621 1042537689 /nfs/dbraw/zinc/53/76/89/1042537689.db2.gz WVILKGMODRPWBB-OLZOCXBDSA-N 1 2 347.509 3.711 20 0 EHADLO COCC[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(F)c(Cl)c1 ZINC000628302902 1042568939 /nfs/dbraw/zinc/56/89/39/1042568939.db2.gz WJCASBACZWYNJG-UHFFFAOYSA-N 1 2 338.810 3.993 20 0 EHADLO COCC[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccc(F)c(Cl)c1 ZINC000628302902 1042568943 /nfs/dbraw/zinc/56/89/43/1042568943.db2.gz WJCASBACZWYNJG-UHFFFAOYSA-N 1 2 338.810 3.993 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c(C)[nH]1 ZINC000662211935 1042598865 /nfs/dbraw/zinc/59/88/65/1042598865.db2.gz KUZNNFQRFUDBPX-UHFFFAOYSA-N 1 2 336.435 3.755 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000161758958 1042683762 /nfs/dbraw/zinc/68/37/62/1042683762.db2.gz DSDYGJVVEOJEOM-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000663351540 1042741003 /nfs/dbraw/zinc/74/10/03/1042741003.db2.gz NKPNUAFOHHXEJG-GOSISDBHSA-N 1 2 337.398 3.797 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(OC)cc2OC)o1 ZINC000165295951 1042767760 /nfs/dbraw/zinc/76/77/60/1042767760.db2.gz IPKNIKDGZRFUFV-CXAGYDPISA-N 1 2 333.428 3.898 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000278916742 1042939805 /nfs/dbraw/zinc/93/98/05/1042939805.db2.gz WGKALKFLCIKBGV-NSHDSACASA-N 1 2 327.375 3.979 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000278916742 1042939808 /nfs/dbraw/zinc/93/98/08/1042939808.db2.gz WGKALKFLCIKBGV-NSHDSACASA-N 1 2 327.375 3.979 20 0 EHADLO CC(=O)Nc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cn1 ZINC000278926648 1042971556 /nfs/dbraw/zinc/97/15/56/1042971556.db2.gz UOLYBVVCQOWBOB-UHFFFAOYSA-N 1 2 327.432 3.689 20 0 EHADLO CCc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663540875 1042984302 /nfs/dbraw/zinc/98/43/02/1042984302.db2.gz SJVCJMOLWYIKDA-GOSISDBHSA-N 1 2 333.439 3.744 20 0 EHADLO Cn1ncc(C[NH2+]Cc2cc(Br)ccc2Cl)c1Cl ZINC000722376639 1042987942 /nfs/dbraw/zinc/98/79/42/1042987942.db2.gz PEJLBGJNRJDDOY-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000663558112 1042996665 /nfs/dbraw/zinc/99/66/65/1042996665.db2.gz DRQJZHYPRPCRAT-MRXNPFEDSA-N 1 2 337.423 3.975 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279004350 1043180600 /nfs/dbraw/zinc/18/06/00/1043180600.db2.gz RYIXWXWYDJDOEQ-SFHVURJKSA-N 1 2 325.456 3.764 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 ZINC000136878973 1043296003 /nfs/dbraw/zinc/29/60/03/1043296003.db2.gz MBOKLDXZIKUNNI-GOSISDBHSA-N 1 2 346.519 3.745 20 0 EHADLO c1nnc([C@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000279098186 1043347771 /nfs/dbraw/zinc/34/77/71/1043347771.db2.gz UZWRLVPQSPLHAQ-QGZVFWFLSA-N 1 2 336.464 3.809 20 0 EHADLO CC(C)(C)c1csc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000344234300 1043481504 /nfs/dbraw/zinc/48/15/04/1043481504.db2.gz IYHCIGYBWLCCLG-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO C[C@@H]1CCc2nc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)sc2C1 ZINC000344258877 1043538005 /nfs/dbraw/zinc/53/80/05/1043538005.db2.gz SXDQFORANBEJDO-GFCCVEGCSA-N 1 2 338.436 3.706 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nc2cccc(OC(F)F)c2s1 ZINC000663725533 1043840145 /nfs/dbraw/zinc/84/01/45/1043840145.db2.gz DCBVVHOOHPCJQY-UHFFFAOYSA-N 1 2 338.383 3.621 20 0 EHADLO CC[C@H](c1nnc(S[C@@H](C)[C@H](C)O)n1C1CCCCC1)[NH+](C)C ZINC000446804603 1043996010 /nfs/dbraw/zinc/99/60/10/1043996010.db2.gz UVJJPYWFPMQORF-KCQAQPDRSA-N 1 2 340.537 3.657 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000344498314 1044073602 /nfs/dbraw/zinc/07/36/02/1044073602.db2.gz JTYCFTRSSPYQKA-LJQANCHMSA-N 1 2 343.398 3.583 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2C(C)(C)C2(C)C)C[C@@H](C)O1 ZINC000344504307 1044081081 /nfs/dbraw/zinc/08/10/81/1044081081.db2.gz VKKRJTBUZNTXOV-HUUCEWRRSA-N 1 2 344.499 3.917 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c(C)n1 ZINC000279470024 1044113263 /nfs/dbraw/zinc/11/32/63/1044113263.db2.gz JVZOHLVLICJKMF-APPZFPTMSA-N 1 2 330.379 3.981 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279558566 1044229671 /nfs/dbraw/zinc/22/96/71/1044229671.db2.gz RNRNHLDNEYADQL-RYUDHWBXSA-N 1 2 343.456 3.657 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000344668051 1044256659 /nfs/dbraw/zinc/25/66/59/1044256659.db2.gz PKFBAYUCBOBZEX-FQEVSTJZSA-N 1 2 331.419 3.988 20 0 EHADLO Cc1nccn1CCCC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000348572873 1044369191 /nfs/dbraw/zinc/36/91/91/1044369191.db2.gz GEIAIEAPKBDPPR-CQSZACIVSA-N 1 2 331.464 3.753 20 0 EHADLO COc1ccccc1OCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000051126831 1044372139 /nfs/dbraw/zinc/37/21/39/1044372139.db2.gz DPUZFRGSSSTGEY-UHFFFAOYSA-N 1 2 327.380 3.962 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000348576187 1044512154 /nfs/dbraw/zinc/51/21/54/1044512154.db2.gz IZJSKLUBDMYOHE-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000348576187 1044512169 /nfs/dbraw/zinc/51/21/69/1044512169.db2.gz IZJSKLUBDMYOHE-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cnn1CC(C)C ZINC000279834630 1044729218 /nfs/dbraw/zinc/72/92/18/1044729218.db2.gz AXMPXUYYLSVAOH-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112784266 1044790900 /nfs/dbraw/zinc/79/09/00/1044790900.db2.gz KXVXUXYHYDLJCK-SJORKVTESA-N 1 2 339.345 3.893 20 0 EHADLO Fc1cc(F)c(-c2cccc(C[NH+]3CCOCC3)c2)c(F)c1F ZINC001205180088 1125509126 /nfs/dbraw/zinc/50/91/26/1125509126.db2.gz NCCJHQDQTUMVKH-UHFFFAOYSA-N 1 2 325.305 3.742 20 0 EHADLO CCCCNC(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235485 1125524427 /nfs/dbraw/zinc/52/44/27/1125524427.db2.gz UPENNMNAEAOBOR-UHFFFAOYSA-N 1 2 340.467 3.614 20 0 EHADLO CCCCNC(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235485 1125524434 /nfs/dbraw/zinc/52/44/34/1125524434.db2.gz UPENNMNAEAOBOR-UHFFFAOYSA-N 1 2 340.467 3.614 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)cc1 ZINC000620409768 1125567250 /nfs/dbraw/zinc/56/72/50/1125567250.db2.gz RCKQOOLOSYBUEJ-UHFFFAOYSA-N 1 2 340.452 3.988 20 0 EHADLO CC(C)c1sc(NC(=O)[C@@H]2CSC[NH2+]2)nc1-c1ccccc1 ZINC000154399311 1125716199 /nfs/dbraw/zinc/71/61/99/1125716199.db2.gz XOJAVSVVWWZUFT-LBPRGKRZSA-N 1 2 333.482 3.535 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000154914685 1125765387 /nfs/dbraw/zinc/76/53/87/1125765387.db2.gz VZEXIJIAAVWQBR-UHFFFAOYSA-N 1 2 343.814 3.959 20 0 EHADLO Cn1c[nH+]cc1CC(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000622462123 1126706543 /nfs/dbraw/zinc/70/65/43/1126706543.db2.gz MVCHTSCKWXMVSU-UHFFFAOYSA-N 1 2 339.483 3.846 20 0 EHADLO CC1(C)C[NH+](CC(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)C1 ZINC000622607125 1126728612 /nfs/dbraw/zinc/72/86/12/1126728612.db2.gz XJDLPWGZYZRYJN-UHFFFAOYSA-N 1 2 340.389 3.790 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983059 1126731425 /nfs/dbraw/zinc/73/14/25/1126731425.db2.gz HCXZUTLBMXOECU-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983059 1126731429 /nfs/dbraw/zinc/73/14/29/1126731429.db2.gz HCXZUTLBMXOECU-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)Cc1nccs1 ZINC000185015585 1126738927 /nfs/dbraw/zinc/73/89/27/1126738927.db2.gz UUPKUOLHZYCHJB-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)Cc1nccs1 ZINC000185015585 1126738931 /nfs/dbraw/zinc/73/89/31/1126738931.db2.gz UUPKUOLHZYCHJB-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3F)C[C@@H]12 ZINC001238080540 1126774736 /nfs/dbraw/zinc/77/47/36/1126774736.db2.gz HVOWEGJNDQCINA-JOYOIKCWSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3F)C[C@@H]12 ZINC001238080540 1126774740 /nfs/dbraw/zinc/77/47/40/1126774740.db2.gz HVOWEGJNDQCINA-JOYOIKCWSA-N 1 2 344.199 3.528 20 0 EHADLO Clc1cccc2c1CC[C@H]2[NH2+]Cc1ncc(Br)cn1 ZINC000901671946 1126803458 /nfs/dbraw/zinc/80/34/58/1126803458.db2.gz JELIHUQRWRCDMN-CYBMUJFWSA-N 1 2 338.636 3.670 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000174665836 1126858434 /nfs/dbraw/zinc/85/84/34/1126858434.db2.gz INIGKYJVHHNQNR-CYBMUJFWSA-N 1 2 340.402 3.793 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000185292796 1126859331 /nfs/dbraw/zinc/85/93/31/1126859331.db2.gz PQJOYPXVIGOHPF-CQSZACIVSA-N 1 2 338.791 3.881 20 0 EHADLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000623035229 1126860681 /nfs/dbraw/zinc/86/06/81/1126860681.db2.gz WIJHSEMYPYVSQM-SECBINFHSA-N 1 2 349.797 3.704 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456265 1126871271 /nfs/dbraw/zinc/87/12/71/1126871271.db2.gz OYLKWGJASHIXBJ-OAHLLOKOSA-N 1 2 331.378 3.894 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456265 1126871274 /nfs/dbraw/zinc/87/12/74/1126871274.db2.gz OYLKWGJASHIXBJ-OAHLLOKOSA-N 1 2 331.378 3.894 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000623121251 1126881232 /nfs/dbraw/zinc/88/12/32/1126881232.db2.gz RSRVABZNMJHXTE-UHFFFAOYSA-N 1 2 344.421 3.545 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000623121251 1126881235 /nfs/dbraw/zinc/88/12/35/1126881235.db2.gz RSRVABZNMJHXTE-UHFFFAOYSA-N 1 2 344.421 3.545 20 0 EHADLO CCc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000623255168 1126902753 /nfs/dbraw/zinc/90/27/53/1126902753.db2.gz QZPJZDIYZHASLV-OAHLLOKOSA-N 1 2 337.448 3.529 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)s1 ZINC000623245898 1126905213 /nfs/dbraw/zinc/90/52/13/1126905213.db2.gz XIMZDUMKEVNXOM-UHFFFAOYSA-N 1 2 332.454 3.795 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1COc1ccccc1 ZINC000623275079 1126908013 /nfs/dbraw/zinc/90/80/13/1126908013.db2.gz WXJPFLPXCILKRR-UHFFFAOYSA-N 1 2 335.407 3.881 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000623267824 1126906438 /nfs/dbraw/zinc/90/64/38/1126906438.db2.gz NWYIAGKKTIRPEF-UHFFFAOYSA-N 1 2 348.406 3.554 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918380 1126933998 /nfs/dbraw/zinc/93/39/98/1126933998.db2.gz HZFYOERKXOCJFL-ZBFHGGJFSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918380 1126934000 /nfs/dbraw/zinc/93/40/00/1126934000.db2.gz HZFYOERKXOCJFL-ZBFHGGJFSA-N 1 2 345.516 3.964 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)ncc1Br ZINC000623554542 1126984094 /nfs/dbraw/zinc/98/40/94/1126984094.db2.gz CYORWQHOELJNGQ-HZPDHXFCSA-N 1 2 335.220 3.879 20 0 EHADLO c1nn(CC2CCC2)cc1C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000921501280 1127052269 /nfs/dbraw/zinc/05/22/69/1127052269.db2.gz KLCNZMVAIXECAF-OAQYLSRUSA-N 1 2 338.499 3.610 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000179364722 1127059360 /nfs/dbraw/zinc/05/93/60/1127059360.db2.gz ZPPIGUFRVZXQCX-KRWDZBQOSA-N 1 2 338.517 3.818 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000179364722 1127059362 /nfs/dbraw/zinc/05/93/62/1127059362.db2.gz ZPPIGUFRVZXQCX-KRWDZBQOSA-N 1 2 338.517 3.818 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc(Oc3ccccc3)ccc2O)n1 ZINC000350574020 1127087594 /nfs/dbraw/zinc/08/75/94/1127087594.db2.gz DGZARFFSDYOGOP-UHFFFAOYSA-N 1 2 348.362 3.559 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(SC)cc1 ZINC000179927669 1127100359 /nfs/dbraw/zinc/10/03/59/1127100359.db2.gz LPRITDCPDKTFRR-LBPRGKRZSA-N 1 2 348.443 3.846 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000179937615 1127102100 /nfs/dbraw/zinc/10/21/00/1127102100.db2.gz DCWUQTJKUBTCAQ-LLVKDONJSA-N 1 2 336.794 3.777 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)o1 ZINC000179983226 1127106417 /nfs/dbraw/zinc/10/64/17/1127106417.db2.gz UCIDPSHLZDHZGF-UHFFFAOYSA-N 1 2 335.350 3.904 20 0 EHADLO Clc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)o1 ZINC000350905062 1127116487 /nfs/dbraw/zinc/11/64/87/1127116487.db2.gz FEWIJSYSZXIOQK-UHFFFAOYSA-N 1 2 326.743 3.895 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c(Cl)c1 ZINC000180280036 1127140124 /nfs/dbraw/zinc/14/01/24/1127140124.db2.gz QEMRMBKKQYBBKC-UHFFFAOYSA-N 1 2 343.858 3.955 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c(Cl)c1 ZINC000180280036 1127140126 /nfs/dbraw/zinc/14/01/26/1127140126.db2.gz QEMRMBKKQYBBKC-UHFFFAOYSA-N 1 2 343.858 3.955 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000180512253 1127167364 /nfs/dbraw/zinc/16/73/64/1127167364.db2.gz VRRPIOKFLHALHG-UHFFFAOYSA-N 1 2 329.343 3.584 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000180512253 1127167365 /nfs/dbraw/zinc/16/73/65/1127167365.db2.gz VRRPIOKFLHALHG-UHFFFAOYSA-N 1 2 329.343 3.584 20 0 EHADLO C[N@H+](Cc1cncc(Br)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180503727 1127167426 /nfs/dbraw/zinc/16/74/26/1127167426.db2.gz ZSXWSSCJARPGSJ-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO C[N@@H+](Cc1cncc(Br)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180503727 1127167427 /nfs/dbraw/zinc/16/74/27/1127167427.db2.gz ZSXWSSCJARPGSJ-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180606101 1127176628 /nfs/dbraw/zinc/17/66/28/1127176628.db2.gz ZVRUCSFKYDYHRJ-ZDUSSCGKSA-N 1 2 339.370 3.917 20 0 EHADLO Cc1cnc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000623799249 1127180713 /nfs/dbraw/zinc/18/07/13/1127180713.db2.gz SWFXOXIDGBGNGI-CYBMUJFWSA-N 1 2 331.268 3.972 20 0 EHADLO Cc1cc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cc[nH+]1 ZINC000180693976 1127182069 /nfs/dbraw/zinc/18/20/69/1127182069.db2.gz DMRPOIBRNSVCQD-UHFFFAOYSA-N 1 2 344.264 3.845 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccccc2CC(F)(F)F)nn1C ZINC000623821980 1127194680 /nfs/dbraw/zinc/19/46/80/1127194680.db2.gz PDMYRGPVRWFFPB-UHFFFAOYSA-N 1 2 331.769 3.777 20 0 EHADLO OC[C@H]([NH2+][C@H]1CCCc2scnc21)c1ccc(C(F)(F)F)cc1 ZINC000623925349 1127218194 /nfs/dbraw/zinc/21/81/94/1127218194.db2.gz CADATKADJYFKLA-STQMWFEESA-N 1 2 342.386 3.863 20 0 EHADLO Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623996660 1127229217 /nfs/dbraw/zinc/22/92/17/1127229217.db2.gz NMWDOTYPLLQUDX-CQSZACIVSA-N 1 2 328.416 3.635 20 0 EHADLO COCC[C@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccc(C)o1 ZINC000624089748 1127248978 /nfs/dbraw/zinc/24/89/78/1127248978.db2.gz YCVCMJIPJWNHMJ-HNNXBMFYSA-N 1 2 336.395 3.974 20 0 EHADLO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186075408 1127250318 /nfs/dbraw/zinc/25/03/18/1127250318.db2.gz JCARFNQBFGVWDT-UWVGGRQHSA-N 1 2 348.256 3.742 20 0 EHADLO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000624134437 1127254337 /nfs/dbraw/zinc/25/43/37/1127254337.db2.gz UWNOPRXMBNNXLY-SNVBAGLBSA-N 1 2 339.233 3.913 20 0 EHADLO CCn1ccnc1[C@@H]1CCCCN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624180039 1127276137 /nfs/dbraw/zinc/27/61/37/1127276137.db2.gz VOSWSHHCAIEODI-KRWDZBQOSA-N 1 2 346.438 3.831 20 0 EHADLO Cc1cccn2c(CNc3cc(C)c(Br)cn3)c[nH+]c12 ZINC000181734887 1127292796 /nfs/dbraw/zinc/29/27/96/1127292796.db2.gz OEYPAZCBZZPEDM-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181885861 1127301517 /nfs/dbraw/zinc/30/15/17/1127301517.db2.gz SPMICCJKVMTWEX-CABCVRRESA-N 1 2 344.459 3.618 20 0 EHADLO Cc1cc(C)cc([C@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)c1 ZINC000182001701 1127307541 /nfs/dbraw/zinc/30/75/41/1127307541.db2.gz ROULSZOGDSFJAW-SFHVURJKSA-N 1 2 348.450 3.650 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182172096 1127315369 /nfs/dbraw/zinc/31/53/69/1127315369.db2.gz DKJZYYVVYIGBDP-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182172096 1127315374 /nfs/dbraw/zinc/31/53/74/1127315374.db2.gz DKJZYYVVYIGBDP-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000186143604 1127338695 /nfs/dbraw/zinc/33/86/95/1127338695.db2.gz JNLOLPWVVOKQPP-ONGXEEELSA-N 1 2 348.256 3.742 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000182667258 1127342135 /nfs/dbraw/zinc/34/21/35/1127342135.db2.gz IBMQDTLOSQTJCO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000182667258 1127342139 /nfs/dbraw/zinc/34/21/39/1127342139.db2.gz IBMQDTLOSQTJCO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000182908654 1127353605 /nfs/dbraw/zinc/35/36/05/1127353605.db2.gz WODSXQNKXDYBDP-RZFZLAGVSA-N 1 2 343.427 3.922 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000183117551 1127363618 /nfs/dbraw/zinc/36/36/18/1127363618.db2.gz CCGKZVOTWZPMEQ-IVZQSRNASA-N 1 2 330.478 3.506 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)c1nccs1 ZINC000184399861 1127403775 /nfs/dbraw/zinc/40/37/75/1127403775.db2.gz NNYPQOWNUZXWFY-KBPBESRZSA-N 1 2 339.464 3.824 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000184452287 1127404915 /nfs/dbraw/zinc/40/49/15/1127404915.db2.gz DXYXLYOILGNPHE-AWEZNQCLSA-N 1 2 339.549 3.984 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184730109 1127412273 /nfs/dbraw/zinc/41/22/73/1127412273.db2.gz FMUHFWNSOQUIBP-RDJZCZTQSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2CC)o1 ZINC000184858627 1127415098 /nfs/dbraw/zinc/41/50/98/1127415098.db2.gz ZUCNAKRBBWBVSB-KDOFPFPSSA-N 1 2 344.455 3.709 20 0 EHADLO Cc1ccc(Oc2ccccc2CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000193178979 1127433744 /nfs/dbraw/zinc/43/37/44/1127433744.db2.gz YLMVUXZIQQKQNF-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764284809 1127473407 /nfs/dbraw/zinc/47/34/07/1127473407.db2.gz ORCTXZBOJPWKPD-WOJBJXKFSA-N 1 2 341.451 3.655 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764284809 1127473410 /nfs/dbraw/zinc/47/34/10/1127473410.db2.gz ORCTXZBOJPWKPD-WOJBJXKFSA-N 1 2 341.451 3.655 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764811251 1127537384 /nfs/dbraw/zinc/53/73/84/1127537384.db2.gz XUHVTMKOGGHVLH-YWZLYKJASA-N 1 2 333.435 3.795 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cn1nc(COc2ccccc2)n(C)c1=S ZINC000765017109 1127565960 /nfs/dbraw/zinc/56/59/60/1127565960.db2.gz YNYCFQAHHWUJQJ-HNNXBMFYSA-N 1 2 346.500 3.752 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cn1nc(COc2ccccc2)n(C)c1=S ZINC000765017109 1127565963 /nfs/dbraw/zinc/56/59/63/1127565963.db2.gz YNYCFQAHHWUJQJ-HNNXBMFYSA-N 1 2 346.500 3.752 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(C(F)F)CC1 ZINC000765145418 1127579925 /nfs/dbraw/zinc/57/99/25/1127579925.db2.gz CWLHYHVYOZIWAE-CQSZACIVSA-N 1 2 328.790 3.548 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000765310763 1127595510 /nfs/dbraw/zinc/59/55/10/1127595510.db2.gz MRKKKRAYQLMMJU-DOTOQJQBSA-N 1 2 338.373 3.624 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000765310763 1127595511 /nfs/dbraw/zinc/59/55/11/1127595511.db2.gz MRKKKRAYQLMMJU-DOTOQJQBSA-N 1 2 338.373 3.624 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000016343277 1127661600 /nfs/dbraw/zinc/66/16/00/1127661600.db2.gz CFTHHLKBLAIUMK-YRGRVCCFSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000016343277 1127661603 /nfs/dbraw/zinc/66/16/03/1127661603.db2.gz CFTHHLKBLAIUMK-YRGRVCCFSA-N 1 2 328.909 3.917 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)o1 ZINC000016377553 1127661656 /nfs/dbraw/zinc/66/16/56/1127661656.db2.gz WXTSBGQCDCHPKC-OAHLLOKOSA-N 1 2 344.480 3.937 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)o1 ZINC000016377553 1127661658 /nfs/dbraw/zinc/66/16/58/1127661658.db2.gz WXTSBGQCDCHPKC-OAHLLOKOSA-N 1 2 344.480 3.937 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000172016994 1127661669 /nfs/dbraw/zinc/66/16/69/1127661669.db2.gz BQJFMJHJQVLYOM-UHFFFAOYSA-N 1 2 339.395 3.681 20 0 EHADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc3ccccc3s2)C[C@@H](C)O1 ZINC000021059104 1127680519 /nfs/dbraw/zinc/68/05/19/1127680519.db2.gz UMQOXKOUDXUDJX-ZIAGYGMSSA-N 1 2 346.496 3.519 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(Cc3ccccc3)CC2)cs1 ZINC000023698001 1127699335 /nfs/dbraw/zinc/69/93/35/1127699335.db2.gz IDYURBGXTVUDQR-UHFFFAOYSA-N 1 2 329.469 3.556 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)c2cnn[nH]2)cc1 ZINC000624273190 1127711531 /nfs/dbraw/zinc/71/15/31/1127711531.db2.gz XXWKKTBQXFYVHZ-CQSZACIVSA-N 1 2 342.340 3.746 20 0 EHADLO O=c1sc2c(n1C[NH+]1CCC(c3ccc(F)cc3)CC1)CCCC2 ZINC000083630987 1127726671 /nfs/dbraw/zinc/72/66/71/1127726671.db2.gz PBUVAWZJLMXZGP-UHFFFAOYSA-N 1 2 346.471 3.765 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1c(Cl)ccc(F)c1Cl ZINC000921562909 1127752594 /nfs/dbraw/zinc/75/25/94/1127752594.db2.gz JNIABGOFAYOLHX-SECBINFHSA-N 1 2 344.217 3.710 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C\c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000255915600 1127753296 /nfs/dbraw/zinc/75/32/96/1127753296.db2.gz SNRAPIABTYAXMX-CLUARGJDSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H]1Cc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)ccc2O1 ZINC000921569164 1127753544 /nfs/dbraw/zinc/75/35/44/1127753544.db2.gz ZGPGIQKLTUBLNR-HNNXBMFYSA-N 1 2 338.451 3.583 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccccc1Cl ZINC000026215872 1127770660 /nfs/dbraw/zinc/77/06/60/1127770660.db2.gz HSAMQOPXWAXYDR-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1ccccc1Cl ZINC000026215872 1127770662 /nfs/dbraw/zinc/77/06/62/1127770662.db2.gz HSAMQOPXWAXYDR-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC)cc1 ZINC000026475474 1127771769 /nfs/dbraw/zinc/77/17/69/1127771769.db2.gz SNPUQCYWQAPEAY-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000026475474 1127771772 /nfs/dbraw/zinc/77/17/72/1127771772.db2.gz SNPUQCYWQAPEAY-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)s1 ZINC000026854574 1127774959 /nfs/dbraw/zinc/77/49/59/1127774959.db2.gz CYVBMDIGIYJHKF-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)s1 ZINC000026854574 1127774962 /nfs/dbraw/zinc/77/49/62/1127774962.db2.gz CYVBMDIGIYJHKF-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C2(c3ccccc3)CCC2)cs1)C1CC1 ZINC000172153421 1127786475 /nfs/dbraw/zinc/78/64/75/1127786475.db2.gz MGNYHWCFEQCZSE-UHFFFAOYSA-N 1 2 341.480 3.827 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000624288991 1127786555 /nfs/dbraw/zinc/78/65/55/1127786555.db2.gz BSIBREUNISDOAV-WKPIXPDZSA-N 1 2 340.254 3.909 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 ZINC000028684687 1127790528 /nfs/dbraw/zinc/79/05/28/1127790528.db2.gz LKSBUSAZVCYCOC-SNVBAGLBSA-N 1 2 338.864 3.609 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 ZINC000028684687 1127790529 /nfs/dbraw/zinc/79/05/29/1127790529.db2.gz LKSBUSAZVCYCOC-SNVBAGLBSA-N 1 2 338.864 3.609 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)[nH]c2c1 ZINC000029669674 1127805299 /nfs/dbraw/zinc/80/52/99/1127805299.db2.gz AXKCHBOBMFIQHD-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029832927 1127809615 /nfs/dbraw/zinc/80/96/15/1127809615.db2.gz BQCGJBXHBSNAGR-GFCCVEGCSA-N 1 2 332.354 3.799 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029832927 1127809617 /nfs/dbraw/zinc/80/96/17/1127809617.db2.gz BQCGJBXHBSNAGR-GFCCVEGCSA-N 1 2 332.354 3.799 20 0 EHADLO Cc1nnc(SCc2cn3cc(C)ccc3[nH+]2)n1-c1ccccc1 ZINC000030545812 1127821124 /nfs/dbraw/zinc/82/11/24/1127821124.db2.gz KVUNQSUBZMYDGM-UHFFFAOYSA-N 1 2 335.436 3.824 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030602613 1127822449 /nfs/dbraw/zinc/82/24/49/1127822449.db2.gz MFCCHPFWGIGWJJ-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO CC[C@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399563 1127875625 /nfs/dbraw/zinc/87/56/25/1127875625.db2.gz MORTVVUVYUOMNW-SWLSCSKDSA-N 1 2 326.843 3.778 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677777 1127891319 /nfs/dbraw/zinc/89/13/19/1127891319.db2.gz PRNLNSBYAGQVCM-QWRGUYRKSA-N 1 2 336.785 3.790 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677777 1127891324 /nfs/dbraw/zinc/89/13/24/1127891324.db2.gz PRNLNSBYAGQVCM-QWRGUYRKSA-N 1 2 336.785 3.790 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043156522 1127913600 /nfs/dbraw/zinc/91/36/00/1127913600.db2.gz MZGDZDSUAIAPMH-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043390415 1127919132 /nfs/dbraw/zinc/91/91/32/1127919132.db2.gz PMUXKFRPAGCFOJ-UHFFFAOYSA-N 1 2 341.480 3.587 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000043521329 1127921423 /nfs/dbraw/zinc/92/14/23/1127921423.db2.gz FWWASMYYQRGEHA-CYBMUJFWSA-N 1 2 327.428 3.923 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000043521329 1127921426 /nfs/dbraw/zinc/92/14/26/1127921426.db2.gz FWWASMYYQRGEHA-CYBMUJFWSA-N 1 2 327.428 3.923 20 0 EHADLO CCc1noc([C@@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000044344931 1127935327 /nfs/dbraw/zinc/93/53/27/1127935327.db2.gz TZCWOMDMYYGSQK-CYBMUJFWSA-N 1 2 325.412 3.987 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000044344931 1127935328 /nfs/dbraw/zinc/93/53/28/1127935328.db2.gz TZCWOMDMYYGSQK-CYBMUJFWSA-N 1 2 325.412 3.987 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044970844 1127943710 /nfs/dbraw/zinc/94/37/10/1127943710.db2.gz UHXSNEGPQBUPCW-AWEZNQCLSA-N 1 2 325.437 3.826 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045620682 1127955987 /nfs/dbraw/zinc/95/59/87/1127955987.db2.gz NWMZLOUCKBEKIJ-UHFFFAOYSA-N 1 2 345.855 3.919 20 0 EHADLO FC(F)(F)Oc1ccccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358634 1127961736 /nfs/dbraw/zinc/96/17/36/1127961736.db2.gz VQGMGXIYYPYZDK-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)o1 ZINC000045958393 1127964603 /nfs/dbraw/zinc/96/46/03/1127964603.db2.gz XYTYNMGJZMBWKB-UHFFFAOYSA-N 1 2 341.455 3.823 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000084060628 1127990634 /nfs/dbraw/zinc/99/06/34/1127990634.db2.gz QJEYKSNTQOKVOI-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000084060628 1127990638 /nfs/dbraw/zinc/99/06/38/1127990638.db2.gz QJEYKSNTQOKVOI-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046943925 1127995864 /nfs/dbraw/zinc/99/58/64/1127995864.db2.gz YACSXSJIDMAHSA-QGZVFWFLSA-N 1 2 342.418 3.569 20 0 EHADLO Cc1ccn(-c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000047077205 1128000192 /nfs/dbraw/zinc/00/01/92/1128000192.db2.gz CYZQQASHZWWYIG-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(Nc1cc(Cl)ccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047247780 1128004293 /nfs/dbraw/zinc/00/42/93/1128004293.db2.gz UPNDBELHPQQVBW-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866904 1128030724 /nfs/dbraw/zinc/03/07/24/1128030724.db2.gz WKFXFDFMZVUWFW-MDZDMXLPSA-N 1 2 330.347 3.665 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H]1c1ccccc1 ZINC000056894987 1128031447 /nfs/dbraw/zinc/03/14/47/1128031447.db2.gz CKVPMBXHGMNJQT-FQEVSTJZSA-N 1 2 346.434 3.919 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056895850 1128031456 /nfs/dbraw/zinc/03/14/56/1128031456.db2.gz SYUZGSFJXUHTIG-MRXNPFEDSA-N 1 2 334.423 3.741 20 0 EHADLO CC(=O)c1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC001212366266 1128038311 /nfs/dbraw/zinc/03/83/11/1128038311.db2.gz JSEJTPMVGANWSV-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)ccn1 ZINC000347553768 1128075602 /nfs/dbraw/zinc/07/56/02/1128075602.db2.gz IIRWKYGETYAKOA-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2ccc(C)cc2)c1C ZINC000058958425 1128086516 /nfs/dbraw/zinc/08/65/16/1128086516.db2.gz JRHQGLAGLXYNEC-UHFFFAOYSA-N 1 2 344.480 3.766 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cn3ccsc3n2)C[C@H]2CCCO2)c1 ZINC000060372435 1128098948 /nfs/dbraw/zinc/09/89/48/1128098948.db2.gz GBBRNMQFGYECQE-QGZVFWFLSA-N 1 2 345.443 3.716 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cn3ccsc3n2)C[C@H]2CCCO2)c1 ZINC000060372435 1128098952 /nfs/dbraw/zinc/09/89/52/1128098952.db2.gz GBBRNMQFGYECQE-QGZVFWFLSA-N 1 2 345.443 3.716 20 0 EHADLO C[C@@H](CNc1ncnc2sc3c(c21)CCCC3)Cn1cc[nH+]c1 ZINC000060380109 1128099726 /nfs/dbraw/zinc/09/97/26/1128099726.db2.gz FHEPVULDYPKUOK-LBPRGKRZSA-N 1 2 327.457 3.515 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060687202 1128112027 /nfs/dbraw/zinc/11/20/27/1128112027.db2.gz INEIDFHXWFGREW-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO CC[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000671724963 1128138090 /nfs/dbraw/zinc/13/80/90/1128138090.db2.gz IAHVUQBYTVHHKX-OAHLLOKOSA-N 1 2 325.412 3.821 20 0 EHADLO O=C(C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1)N1CCCC1 ZINC000063993651 1128162106 /nfs/dbraw/zinc/16/21/06/1128162106.db2.gz CUEVCVXJHVUSNO-UHFFFAOYSA-N 1 2 347.528 3.635 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]2Cc2cccc(OC)c2)no1 ZINC000064932197 1128180934 /nfs/dbraw/zinc/18/09/34/1128180934.db2.gz AMDPOKALXCQEJO-MRXNPFEDSA-N 1 2 329.444 3.628 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)no1 ZINC000064932197 1128180936 /nfs/dbraw/zinc/18/09/36/1128180936.db2.gz AMDPOKALXCQEJO-MRXNPFEDSA-N 1 2 329.444 3.628 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000065438285 1128190086 /nfs/dbraw/zinc/19/00/86/1128190086.db2.gz UZKWXPJUFODDBX-UHFFFAOYSA-N 1 2 344.312 3.643 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657731 1128245780 /nfs/dbraw/zinc/24/57/80/1128245780.db2.gz OHRHWSUGLWZXPH-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)[nH]1 ZINC000671762242 1128252794 /nfs/dbraw/zinc/25/27/94/1128252794.db2.gz MHIUBWOWUWMNDH-GARJFASQSA-N 1 2 329.404 3.577 20 0 EHADLO COC1CCC([N@H+](C)Cn2ncn(-c3ccccc3C)c2=S)CC1 ZINC000734475030 1131242522 /nfs/dbraw/zinc/24/25/22/1131242522.db2.gz GSXWZFSYYMPBHH-UHFFFAOYSA-N 1 2 346.500 3.559 20 0 EHADLO COC1CCC([N@@H+](C)Cn2ncn(-c3ccccc3C)c2=S)CC1 ZINC000734475030 1131242525 /nfs/dbraw/zinc/24/25/25/1131242525.db2.gz GSXWZFSYYMPBHH-UHFFFAOYSA-N 1 2 346.500 3.559 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000072802096 1128305634 /nfs/dbraw/zinc/30/56/34/1128305634.db2.gz RGKDJLZRSSYIBP-LLVKDONJSA-N 1 2 342.917 3.642 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000072802096 1128305637 /nfs/dbraw/zinc/30/56/37/1128305637.db2.gz RGKDJLZRSSYIBP-LLVKDONJSA-N 1 2 342.917 3.642 20 0 EHADLO CC(C)c1cc(NCc2c(C(F)(F)F)cnn2C)nc(C(C)C)[nH+]1 ZINC000624439583 1128362481 /nfs/dbraw/zinc/36/24/81/1128362481.db2.gz ZGSGAYCPRGRIEY-UHFFFAOYSA-N 1 2 341.381 3.510 20 0 EHADLO Cc1cccn2cc(Cc3nc(C4(c5cccc(F)c5)CC4)no3)[nH+]c12 ZINC000624670960 1128424577 /nfs/dbraw/zinc/42/45/77/1128424577.db2.gz ZZOYVRBYMXPXHK-UHFFFAOYSA-N 1 2 348.381 3.836 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+]Cc1cscc1Br ZINC000352742629 1128435016 /nfs/dbraw/zinc/43/50/16/1128435016.db2.gz PIEDZPAFANXFKJ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000903201034 1128463148 /nfs/dbraw/zinc/46/31/48/1128463148.db2.gz WFVYQNSJQUEPMF-BPNCWPANSA-N 1 2 332.835 3.613 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000655156519 1128470468 /nfs/dbraw/zinc/47/04/68/1128470468.db2.gz HMFKPFOGEKJQSI-QGZVFWFLSA-N 1 2 327.472 3.890 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC000655156519 1128470471 /nfs/dbraw/zinc/47/04/71/1128470471.db2.gz HMFKPFOGEKJQSI-QGZVFWFLSA-N 1 2 327.472 3.890 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000172522320 1128473778 /nfs/dbraw/zinc/47/37/78/1128473778.db2.gz AWROQPYTAFGTMA-UHFFFAOYSA-N 1 2 334.467 3.806 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000172522320 1128473780 /nfs/dbraw/zinc/47/37/80/1128473780.db2.gz AWROQPYTAFGTMA-UHFFFAOYSA-N 1 2 334.467 3.806 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)ccc2[nH+]1 ZINC000265709754 1128486381 /nfs/dbraw/zinc/48/63/81/1128486381.db2.gz LCMOPBSFURHQCI-CQSZACIVSA-N 1 2 338.386 3.803 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccnc(OC)c3)co2)cc1 ZINC000347645544 1128510556 /nfs/dbraw/zinc/51/05/56/1128510556.db2.gz FMMFIGMSDRDTJW-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCCc3ccccc3C2)c1C ZINC000106887155 1128515913 /nfs/dbraw/zinc/51/59/13/1128515913.db2.gz VRTWYZIZTHHMLT-OAHLLOKOSA-N 1 2 338.451 3.854 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCCc3ccccc3C2)c1C ZINC000106887155 1128515917 /nfs/dbraw/zinc/51/59/17/1128515917.db2.gz VRTWYZIZTHHMLT-OAHLLOKOSA-N 1 2 338.451 3.854 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@H](C)[C@@H](C)C3)cn2c1 ZINC000542680575 1128533169 /nfs/dbraw/zinc/53/31/69/1128533169.db2.gz BOCSYFRJNYHISU-HRCADAONSA-N 1 2 345.512 3.817 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001168641768 1128565993 /nfs/dbraw/zinc/56/59/93/1128565993.db2.gz BJGDILNQOXWLGL-SPLOXXLWSA-N 1 2 343.279 3.598 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1(Cc2ccccc2)CCCC1 ZINC000542738595 1128567064 /nfs/dbraw/zinc/56/70/64/1128567064.db2.gz IXYUEPVSGMHCCW-UHFFFAOYSA-N 1 2 348.450 3.689 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000465713017 1128579747 /nfs/dbraw/zinc/57/97/47/1128579747.db2.gz AWPBESBWOUDVRR-GJZGRUSLSA-N 1 2 344.434 3.732 20 0 EHADLO Cc1ccc2nc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2c1 ZINC000338693021 1128614941 /nfs/dbraw/zinc/61/49/41/1128614941.db2.gz KWWWCFLPKNJXKW-OAQYLSRUSA-N 1 2 345.446 3.672 20 0 EHADLO Cc1ccc2nc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2c1 ZINC000338693021 1128614943 /nfs/dbraw/zinc/61/49/43/1128614943.db2.gz KWWWCFLPKNJXKW-OAQYLSRUSA-N 1 2 345.446 3.672 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000057378317 1128634951 /nfs/dbraw/zinc/63/49/51/1128634951.db2.gz WUYURAVBROEAST-MRXNPFEDSA-N 1 2 336.439 3.877 20 0 EHADLO Cc1ccc(N[C@@H]2CCCc3cccnc32)c(C[NH+]2CCOCC2)c1 ZINC001168659879 1128720957 /nfs/dbraw/zinc/72/09/57/1128720957.db2.gz RTPTVPQYMFQFAS-HXUWFJFHSA-N 1 2 337.467 3.712 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000072802608 1128737638 /nfs/dbraw/zinc/73/76/38/1128737638.db2.gz VEONZDAYBBGQEB-IBGZPJMESA-N 1 2 325.412 3.681 20 0 EHADLO CCCC[N@H+](CCCO)[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC001168668036 1128754494 /nfs/dbraw/zinc/75/44/94/1128754494.db2.gz WKFHOFCFAKCCJL-OAHLLOKOSA-N 1 2 348.270 3.692 20 0 EHADLO CCCC[N@@H+](CCCO)[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC001168668036 1128754497 /nfs/dbraw/zinc/75/44/97/1128754497.db2.gz WKFHOFCFAKCCJL-OAHLLOKOSA-N 1 2 348.270 3.692 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1C ZINC000672149654 1128804670 /nfs/dbraw/zinc/80/46/70/1128804670.db2.gz UUCHUONPFIUOGG-INIZCTEOSA-N 1 2 335.407 3.505 20 0 EHADLO CCC[C@@H](C)CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000110878121 1128814619 /nfs/dbraw/zinc/81/46/19/1128814619.db2.gz YRRSTNBIBPVOQC-RTBURBONSA-N 1 2 346.515 3.562 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000542913593 1128834985 /nfs/dbraw/zinc/83/49/85/1128834985.db2.gz OEIKCHDMOLEWRS-KRWDZBQOSA-N 1 2 326.371 3.612 20 0 EHADLO Cn1ccc(-c2nc(CNc3ccc4c(c3)CCC[N@H+]4C)cs2)n1 ZINC000921882483 1128875634 /nfs/dbraw/zinc/87/56/34/1128875634.db2.gz FEKWPAWFPZWDNE-UHFFFAOYSA-N 1 2 339.468 3.538 20 0 EHADLO Cn1ccc(-c2nc(CNc3ccc4c(c3)CCC[N@@H+]4C)cs2)n1 ZINC000921882483 1128875641 /nfs/dbraw/zinc/87/56/41/1128875641.db2.gz FEKWPAWFPZWDNE-UHFFFAOYSA-N 1 2 339.468 3.538 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1sc(C)nc1C ZINC000172733058 1128876246 /nfs/dbraw/zinc/87/62/46/1128876246.db2.gz XLFQCSLOJPPLGP-UHFFFAOYSA-N 1 2 335.498 3.552 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1sc(C)nc1C ZINC000172733058 1128876252 /nfs/dbraw/zinc/87/62/52/1128876252.db2.gz XLFQCSLOJPPLGP-UHFFFAOYSA-N 1 2 335.498 3.552 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(F)c(O)c2)C1 ZINC001648901780 1120064328 /nfs/dbraw/zinc/06/43/28/1120064328.db2.gz UIZBQKPBZLTROZ-CQSZACIVSA-N 1 2 345.418 3.503 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000150201024 1120080479 /nfs/dbraw/zinc/08/04/79/1120080479.db2.gz MCMYPLNOXJOXPW-AWEZNQCLSA-N 1 2 338.521 3.885 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000150201024 1120080484 /nfs/dbraw/zinc/08/04/84/1120080484.db2.gz MCMYPLNOXJOXPW-AWEZNQCLSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001670571203 1120087108 /nfs/dbraw/zinc/08/71/08/1120087108.db2.gz FDWJQVNAPWEABA-CJNGLKHVSA-N 1 2 346.862 3.904 20 0 EHADLO Nc1ccc(Nc2c(Br)cccc2Br)c[nH+]1 ZINC000232114865 1120232391 /nfs/dbraw/zinc/23/23/91/1120232391.db2.gz QCZNMVDFMDAIII-UHFFFAOYSA-N 1 2 343.022 3.932 20 0 EHADLO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000355377705 1128912068 /nfs/dbraw/zinc/91/20/68/1128912068.db2.gz QMIBBDZGQXFYTN-UHFFFAOYSA-N 1 2 339.361 3.798 20 0 EHADLO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000355377705 1128912071 /nfs/dbraw/zinc/91/20/71/1128912071.db2.gz QMIBBDZGQXFYTN-UHFFFAOYSA-N 1 2 339.361 3.798 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CSCCCn2cc[nH+]c2)CC1 ZINC000185639227 1120423009 /nfs/dbraw/zinc/42/30/09/1120423009.db2.gz JAOJHXMZNZOGGQ-UHFFFAOYSA-N 1 2 339.505 3.654 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)CC1CCCC1 ZINC000186920492 1120479988 /nfs/dbraw/zinc/47/99/88/1120479988.db2.gz GBNQPWXMUBRHKK-UHFFFAOYSA-N 1 2 329.893 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)CC1CCCC1 ZINC000186920492 1120479992 /nfs/dbraw/zinc/47/99/92/1120479992.db2.gz GBNQPWXMUBRHKK-UHFFFAOYSA-N 1 2 329.893 3.756 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000494404478 1120551183 /nfs/dbraw/zinc/55/11/83/1120551183.db2.gz JXQUOWVMYUUQTB-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494393322 1120554148 /nfs/dbraw/zinc/55/41/48/1120554148.db2.gz OONJQRFPPKDAAA-KBPBESRZSA-N 1 2 336.443 3.544 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1cnccn1 ZINC000494529744 1120584432 /nfs/dbraw/zinc/58/44/32/1120584432.db2.gz OIWGAUCOMGIVDN-NOZJJQNGSA-N 1 2 336.258 3.737 20 0 EHADLO COCCc1ccccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000190004416 1120620932 /nfs/dbraw/zinc/62/09/32/1120620932.db2.gz QSZRAEVWAJPEHF-DHZHZOJOSA-N 1 2 347.418 3.713 20 0 EHADLO Cn1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1C(F)(F)F ZINC000190159484 1120628210 /nfs/dbraw/zinc/62/82/10/1120628210.db2.gz JNOUOVGQAGIWOR-JTQLQIEISA-N 1 2 343.315 3.849 20 0 EHADLO Cn1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1C(F)(F)F ZINC000190159484 1120628212 /nfs/dbraw/zinc/62/82/12/1120628212.db2.gz JNOUOVGQAGIWOR-JTQLQIEISA-N 1 2 343.315 3.849 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191236045 1120665455 /nfs/dbraw/zinc/66/54/55/1120665455.db2.gz KTWJQLOABGVDGY-CQSZACIVSA-N 1 2 330.394 3.602 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191236045 1120665459 /nfs/dbraw/zinc/66/54/59/1120665459.db2.gz KTWJQLOABGVDGY-CQSZACIVSA-N 1 2 330.394 3.602 20 0 EHADLO Cc1cnc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)s1 ZINC000224184196 1120666549 /nfs/dbraw/zinc/66/65/49/1120666549.db2.gz GQXLVYPVBHYRGM-LBPRGKRZSA-N 1 2 339.258 3.827 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(Br)o1 ZINC000191612762 1120681484 /nfs/dbraw/zinc/68/14/84/1120681484.db2.gz MJZSEXVZJWRUJJ-UHFFFAOYSA-N 1 2 348.244 3.954 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000191628267 1120682464 /nfs/dbraw/zinc/68/24/64/1120682464.db2.gz RPHBCGLPKFXQAZ-QWRGUYRKSA-N 1 2 338.249 3.603 20 0 EHADLO CCCc1nc(C)c(C(=O)N(C)CCCc2[nH+]ccn2CCC)s1 ZINC000192246774 1120727687 /nfs/dbraw/zinc/72/76/87/1120727687.db2.gz ANBIJKMGWRLTLE-UHFFFAOYSA-N 1 2 348.516 3.715 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)CCc3c[nH]c[nH+]3)s2)c(C)c1 ZINC000356120277 1128944563 /nfs/dbraw/zinc/94/45/63/1128944563.db2.gz JWXFFYWLDNYIQM-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)CCc3c[nH+]c[nH]3)s2)c(C)c1 ZINC000356120277 1128944567 /nfs/dbraw/zinc/94/45/67/1128944567.db2.gz JWXFFYWLDNYIQM-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653907817 1120859180 /nfs/dbraw/zinc/85/91/80/1120859180.db2.gz BLKJLXAGFQVFDZ-INIZCTEOSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653907817 1120859184 /nfs/dbraw/zinc/85/91/84/1120859184.db2.gz BLKJLXAGFQVFDZ-INIZCTEOSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)s1 ZINC000494929225 1120907907 /nfs/dbraw/zinc/90/79/07/1120907907.db2.gz JGMKSMYLCYFLQB-UHFFFAOYSA-N 1 2 327.906 3.743 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([S@@](C)=O)cc1 ZINC000494927824 1120908116 /nfs/dbraw/zinc/90/81/16/1120908116.db2.gz CZCTWNQGLAQDFZ-XMMPIXPASA-N 1 2 340.448 3.711 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([S@@](C)=O)cc1 ZINC000494927824 1120908118 /nfs/dbraw/zinc/90/81/18/1120908118.db2.gz CZCTWNQGLAQDFZ-XMMPIXPASA-N 1 2 340.448 3.711 20 0 EHADLO CC(C)Oc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)ccn1 ZINC000761814154 1120961753 /nfs/dbraw/zinc/96/17/53/1120961753.db2.gz IDDYXPGSGGICSJ-UHFFFAOYSA-N 1 2 347.378 3.772 20 0 EHADLO C[C@@H]1CCc2nc(C[NH2+]C3(C(=O)Nc4ccccc4)CC3)sc2C1 ZINC000495178876 1120980970 /nfs/dbraw/zinc/98/09/70/1120980970.db2.gz VZKGPRRZEKUZMK-CYBMUJFWSA-N 1 2 341.480 3.529 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)s1 ZINC000230706364 1121007689 /nfs/dbraw/zinc/00/76/89/1121007689.db2.gz MTERVMODVOKDOO-UHFFFAOYSA-N 1 2 326.849 3.666 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000076849684 1128956115 /nfs/dbraw/zinc/95/61/15/1128956115.db2.gz AWFDQAYWOSVBJC-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCOc3ccccc3C2)cc1 ZINC000076849684 1128956119 /nfs/dbraw/zinc/95/61/19/1128956119.db2.gz AWFDQAYWOSVBJC-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO c1cn(-c2ccc(-c3nc(C4Cc5ccccc5C4)no3)cc2)c[nH+]1 ZINC000761969823 1121026209 /nfs/dbraw/zinc/02/62/09/1121026209.db2.gz QYMWDRXMDVGFCG-UHFFFAOYSA-N 1 2 328.375 3.805 20 0 EHADLO C[C@H](Cc1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001168483932 1121027786 /nfs/dbraw/zinc/02/77/86/1121027786.db2.gz CSAJWMHJJAHRHW-TYCQWZJGSA-N 1 2 339.458 3.501 20 0 EHADLO C[C@H](Cc1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001168483932 1121027797 /nfs/dbraw/zinc/02/77/97/1121027797.db2.gz CSAJWMHJJAHRHW-TYCQWZJGSA-N 1 2 339.458 3.501 20 0 EHADLO Fc1c(Cl)nccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000762076382 1121093988 /nfs/dbraw/zinc/09/39/88/1121093988.db2.gz NPTBJACNUROLLH-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000762317359 1121250238 /nfs/dbraw/zinc/25/02/38/1121250238.db2.gz VIYDQHNBTASMEN-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000053577737 1121261673 /nfs/dbraw/zinc/26/16/73/1121261673.db2.gz HURBBGXBKBDVIA-UHFFFAOYSA-N 1 2 345.406 3.826 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccsc2)c1C ZINC000670176632 1121266581 /nfs/dbraw/zinc/26/65/81/1121266581.db2.gz LPSQUFPTFWXWEV-CYBMUJFWSA-N 1 2 333.457 3.671 20 0 EHADLO COc1cccc(C(F)(F)F)c1CNc1ccc2c([nH+]1)CCOC2 ZINC001168489686 1121278805 /nfs/dbraw/zinc/27/88/05/1121278805.db2.gz OMOSEJVFIYFMLA-UHFFFAOYSA-N 1 2 338.329 3.794 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccc3c(c2)-c2ccccc2C3)n1 ZINC000762410311 1121288722 /nfs/dbraw/zinc/28/87/22/1121288722.db2.gz OBSFEKVDBHLLND-UHFFFAOYSA-N 1 2 328.375 3.632 20 0 EHADLO CCCn1c(CO)nn(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762456982 1121309558 /nfs/dbraw/zinc/30/95/58/1121309558.db2.gz AIRBQTBHUCLAEC-INIZCTEOSA-N 1 2 346.500 3.501 20 0 EHADLO CCCn1c(CO)nn(C[N@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762456982 1121309565 /nfs/dbraw/zinc/30/95/65/1121309565.db2.gz AIRBQTBHUCLAEC-INIZCTEOSA-N 1 2 346.500 3.501 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762466854 1121319806 /nfs/dbraw/zinc/31/98/06/1121319806.db2.gz OBSLDOCXDXTHFH-KRWDZBQOSA-N 1 2 346.500 3.635 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762466854 1121319816 /nfs/dbraw/zinc/31/98/16/1121319816.db2.gz OBSLDOCXDXTHFH-KRWDZBQOSA-N 1 2 346.500 3.635 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[NH+]1CCC2(CCCC2)CC1 ZINC000153574234 1121349489 /nfs/dbraw/zinc/34/94/89/1121349489.db2.gz JRJDEBDTAJYILK-UHFFFAOYSA-N 1 2 329.469 3.586 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2nc(Cl)sc2C)n1 ZINC000762845921 1121454728 /nfs/dbraw/zinc/45/47/28/1121454728.db2.gz WEPIMHXNWLJHLC-UHFFFAOYSA-N 1 2 344.893 3.656 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Br)s1 ZINC000393395089 1121636686 /nfs/dbraw/zinc/63/66/86/1121636686.db2.gz CXBAPWMJMRFNCN-ZETCQYMHSA-N 1 2 334.670 3.748 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(Br)c1 ZINC000393501942 1121642073 /nfs/dbraw/zinc/64/20/73/1121642073.db2.gz LMBSHHAJTIPMQO-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000356753648 1129002345 /nfs/dbraw/zinc/00/23/45/1129002345.db2.gz IAQHCVAFWFFFTE-UHFFFAOYSA-N 1 2 333.435 3.681 20 0 EHADLO COc1ccc2nc(NC3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000193965593 1121744648 /nfs/dbraw/zinc/74/46/48/1121744648.db2.gz XFKDCECIEBQGRK-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000055054610 1121792788 /nfs/dbraw/zinc/79/27/88/1121792788.db2.gz NELZBCGGNFBDCU-FQEVSTJZSA-N 1 2 326.440 3.596 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000055054610 1121792792 /nfs/dbraw/zinc/79/27/92/1121792792.db2.gz NELZBCGGNFBDCU-FQEVSTJZSA-N 1 2 326.440 3.596 20 0 EHADLO CCc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)sc1C ZINC000055696029 1121857824 /nfs/dbraw/zinc/85/78/24/1121857824.db2.gz RNLZICQMCLPHBQ-UHFFFAOYSA-N 1 2 325.437 3.735 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000670272768 1121913632 /nfs/dbraw/zinc/91/36/32/1121913632.db2.gz HSWZJTSJNPODHS-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000670272768 1121913638 /nfs/dbraw/zinc/91/36/38/1121913638.db2.gz HSWZJTSJNPODHS-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000763239014 1121917595 /nfs/dbraw/zinc/91/75/95/1121917595.db2.gz DJSZMPBWLVKPJL-FQEVSTJZSA-N 1 2 339.483 3.754 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000763239014 1121917597 /nfs/dbraw/zinc/91/75/97/1121917597.db2.gz DJSZMPBWLVKPJL-FQEVSTJZSA-N 1 2 339.483 3.754 20 0 EHADLO O=C(/C=C/c1cccc(F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000916608093 1122214090 /nfs/dbraw/zinc/21/40/90/1122214090.db2.gz PTBLVHDWANBHHW-BQYQJAHWSA-N 1 2 345.443 3.920 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000037505176 1122231424 /nfs/dbraw/zinc/23/14/24/1122231424.db2.gz UEQSCPKMNUOECQ-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1Br ZINC000037652899 1122235421 /nfs/dbraw/zinc/23/54/21/1122235421.db2.gz KXOXDDQCYJJROJ-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000125489410 1122317687 /nfs/dbraw/zinc/31/76/87/1122317687.db2.gz KEPUJCQVHXKUBW-OALUTQOASA-N 1 2 338.430 3.531 20 0 EHADLO CCc1csc([C@H]2CCC[N@H+](Cc3ccn(C(F)F)n3)C2)n1 ZINC000347681761 1129047873 /nfs/dbraw/zinc/04/78/73/1129047873.db2.gz LLFREKMMVIKVPJ-NSHDSACASA-N 1 2 326.416 3.677 20 0 EHADLO CCc1csc([C@H]2CCC[N@@H+](Cc3ccn(C(F)F)n3)C2)n1 ZINC000347681761 1129047876 /nfs/dbraw/zinc/04/78/76/1129047876.db2.gz LLFREKMMVIKVPJ-NSHDSACASA-N 1 2 326.416 3.677 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000497177082 1122357803 /nfs/dbraw/zinc/35/78/03/1122357803.db2.gz ISZDZUOWMFCTLZ-HNNXBMFYSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000497177082 1122357807 /nfs/dbraw/zinc/35/78/07/1122357807.db2.gz ISZDZUOWMFCTLZ-HNNXBMFYSA-N 1 2 345.896 3.533 20 0 EHADLO CCOC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000065534951 1122404389 /nfs/dbraw/zinc/40/43/89/1122404389.db2.gz CPJGGSODKSCURB-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc2c1OCO2 ZINC000066236427 1122458443 /nfs/dbraw/zinc/45/84/43/1122458443.db2.gz RGDFMZOFYJPSNA-LJQANCHMSA-N 1 2 337.375 3.896 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000127245999 1122472330 /nfs/dbraw/zinc/47/23/30/1122472330.db2.gz BNWFWOLONDFDIX-IAGOWNOFSA-N 1 2 348.393 3.604 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000127245999 1122472334 /nfs/dbraw/zinc/47/23/34/1122472334.db2.gz BNWFWOLONDFDIX-IAGOWNOFSA-N 1 2 348.393 3.604 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068739 1122474838 /nfs/dbraw/zinc/47/48/38/1122474838.db2.gz ZWGOISKXFYYGAJ-XLIONFOSSA-N 1 2 327.472 3.899 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068739 1122474841 /nfs/dbraw/zinc/47/48/41/1122474841.db2.gz ZWGOISKXFYYGAJ-XLIONFOSSA-N 1 2 327.472 3.899 20 0 EHADLO Fc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000917073070 1122478426 /nfs/dbraw/zinc/47/84/26/1122478426.db2.gz WXVUWCMLOSHJSQ-SFHVURJKSA-N 1 2 335.806 3.931 20 0 EHADLO Fc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000917073070 1122478429 /nfs/dbraw/zinc/47/84/29/1122478429.db2.gz WXVUWCMLOSHJSQ-SFHVURJKSA-N 1 2 335.806 3.931 20 0 EHADLO CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127755361 1122506035 /nfs/dbraw/zinc/50/60/35/1122506035.db2.gz LWONDSKHYKXMEE-RBUKOAKNSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127755361 1122506037 /nfs/dbraw/zinc/50/60/37/1122506037.db2.gz LWONDSKHYKXMEE-RBUKOAKNSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127770225 1122506896 /nfs/dbraw/zinc/50/68/96/1122506896.db2.gz LKYKWGBDWMPJMP-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127770225 1122506902 /nfs/dbraw/zinc/50/69/02/1122506902.db2.gz LKYKWGBDWMPJMP-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128286762 1122551170 /nfs/dbraw/zinc/55/11/70/1122551170.db2.gz KUMQGZGLASAEBX-ROUUACIJSA-N 1 2 326.444 3.601 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1 ZINC000128656112 1122641761 /nfs/dbraw/zinc/64/17/61/1122641761.db2.gz DHJCBNUUWKWGRY-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1 ZINC000128656112 1122641763 /nfs/dbraw/zinc/64/17/63/1122641763.db2.gz DHJCBNUUWKWGRY-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000498137472 1122780425 /nfs/dbraw/zinc/78/04/25/1122780425.db2.gz ZTYUEHSMGNESJT-UHFFFAOYSA-N 1 2 339.483 3.554 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnc2c(c1)CCCC2)c1cccc(Cl)c1 ZINC000543003355 1129077911 /nfs/dbraw/zinc/07/79/11/1129077911.db2.gz PNLMAGDDLCPNJA-SFHVURJKSA-N 1 2 343.858 3.855 20 0 EHADLO COc1cc(F)ccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000069759245 1122822881 /nfs/dbraw/zinc/82/28/81/1122822881.db2.gz VSCSPLQCHHDYNR-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1Oc1cccnc1 ZINC000129993898 1122864157 /nfs/dbraw/zinc/86/41/57/1122864157.db2.gz QEFDOEWFVGBDPH-UHFFFAOYSA-N 1 2 347.418 3.944 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1Oc1cccnc1 ZINC000129993898 1122864165 /nfs/dbraw/zinc/86/41/65/1122864165.db2.gz QEFDOEWFVGBDPH-UHFFFAOYSA-N 1 2 347.418 3.944 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2nc3ccsc3s2)C1 ZINC000444905085 1122872554 /nfs/dbraw/zinc/87/25/54/1122872554.db2.gz SQGQYOOAWPNQPG-SNVBAGLBSA-N 1 2 347.469 3.503 20 0 EHADLO CC(C)(CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000498544829 1122966195 /nfs/dbraw/zinc/96/61/95/1122966195.db2.gz VAUPQDBFBIQADR-SFHVURJKSA-N 1 2 345.487 3.851 20 0 EHADLO CC(C)c1cc(NC2CCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000556414807 1122970451 /nfs/dbraw/zinc/97/04/51/1122970451.db2.gz QZBOMBLZROKZGA-UHFFFAOYSA-N 1 2 344.425 3.584 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000556455531 1122982793 /nfs/dbraw/zinc/98/27/93/1122982793.db2.gz RDFOBMOKEIZBOC-HUUCEWRRSA-N 1 2 336.439 3.903 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000113950033 1129093904 /nfs/dbraw/zinc/09/39/04/1129093904.db2.gz RPKXEWGRDJGPPS-WPRPVWTQSA-N 1 2 346.456 3.618 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)o1 ZINC000131097794 1123040851 /nfs/dbraw/zinc/04/08/51/1123040851.db2.gz GMRUTFSWILLOBQ-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)o1 ZINC000131097794 1123040854 /nfs/dbraw/zinc/04/08/54/1123040854.db2.gz GMRUTFSWILLOBQ-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000131122207 1123047790 /nfs/dbraw/zinc/04/77/90/1123047790.db2.gz WJLDJAPEDQXEND-HXUWFJFHSA-N 1 2 349.409 3.999 20 0 EHADLO CC[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1(C(=O)OC)CCC1 ZINC000498754882 1123058520 /nfs/dbraw/zinc/05/85/20/1123058520.db2.gz KXHJYKYZIPDALC-MRXNPFEDSA-N 1 2 331.460 3.606 20 0 EHADLO CC(C)CCc1noc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000072628980 1123133557 /nfs/dbraw/zinc/13/35/57/1123133557.db2.gz JZJMWJMEIKNVHF-UHFFFAOYSA-N 1 2 347.434 3.593 20 0 EHADLO C[C@H](CCc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000556885232 1123166078 /nfs/dbraw/zinc/16/60/78/1123166078.db2.gz HPWLYGGWZZOOPF-CQSZACIVSA-N 1 2 347.409 3.630 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000072862695 1123170036 /nfs/dbraw/zinc/17/00/36/1123170036.db2.gz UKZCTJSWBMWGKI-STQMWFEESA-N 1 2 326.893 3.803 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000072862695 1123170038 /nfs/dbraw/zinc/17/00/38/1123170038.db2.gz UKZCTJSWBMWGKI-STQMWFEESA-N 1 2 326.893 3.803 20 0 EHADLO c1nc(-c2ccccc2)sc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000556893900 1123170882 /nfs/dbraw/zinc/17/08/82/1123170882.db2.gz UBBFZPWQKMGCLZ-UHFFFAOYSA-N 1 2 328.466 3.829 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000556921823 1123209798 /nfs/dbraw/zinc/20/97/98/1123209798.db2.gz XKXIDRFFYLWRHM-JTQLQIEISA-N 1 2 344.308 3.979 20 0 EHADLO CCC(CC)(CC)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000073628900 1123213078 /nfs/dbraw/zinc/21/30/78/1123213078.db2.gz VRGCDKPEXNFXEZ-UHFFFAOYSA-N 1 2 328.460 3.699 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000132323184 1123219191 /nfs/dbraw/zinc/21/91/91/1123219191.db2.gz RYTKBYZBIZFMSK-SFHVURJKSA-N 1 2 326.444 3.504 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](CC1CCCC1)c1ccccc1 ZINC000132324276 1123219312 /nfs/dbraw/zinc/21/93/12/1123219312.db2.gz HPLHJDRCKDFPOL-LJQANCHMSA-N 1 2 340.471 3.894 20 0 EHADLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000556933945 1123222830 /nfs/dbraw/zinc/22/28/30/1123222830.db2.gz QCDZTAHPZKESTR-MRXNPFEDSA-N 1 2 347.425 3.649 20 0 EHADLO Cn1cc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000556933945 1123222834 /nfs/dbraw/zinc/22/28/34/1123222834.db2.gz QCDZTAHPZKESTR-MRXNPFEDSA-N 1 2 347.425 3.649 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1cc(F)ccc1F ZINC000557021136 1123267771 /nfs/dbraw/zinc/26/77/71/1123267771.db2.gz ABVJOOMMWMHKFM-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1cc(F)ccc1F ZINC000557021136 1123267775 /nfs/dbraw/zinc/26/77/75/1123267775.db2.gz ABVJOOMMWMHKFM-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000132790581 1123300955 /nfs/dbraw/zinc/30/09/55/1123300955.db2.gz MDWFPKYAVQFRNZ-HZSPNIEDSA-N 1 2 329.469 3.550 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466028743 1129115869 /nfs/dbraw/zinc/11/58/69/1129115869.db2.gz YKOQHWZREWUEHZ-RTBURBONSA-N 1 2 338.455 3.640 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCSc1ccc(F)cc1)C2 ZINC000609317277 1123384902 /nfs/dbraw/zinc/38/49/02/1123384902.db2.gz RDPJOTGRWCDTCU-UHFFFAOYSA-N 1 2 331.412 3.720 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCSc1ccc(F)cc1)C2 ZINC000609317277 1123384908 /nfs/dbraw/zinc/38/49/08/1123384908.db2.gz RDPJOTGRWCDTCU-UHFFFAOYSA-N 1 2 331.412 3.720 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000076064167 1123461152 /nfs/dbraw/zinc/46/11/52/1123461152.db2.gz ZBUGUSPQWYTJKR-HOCLYGCPSA-N 1 2 331.485 3.795 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000076064167 1123461155 /nfs/dbraw/zinc/46/11/55/1123461155.db2.gz ZBUGUSPQWYTJKR-HOCLYGCPSA-N 1 2 331.485 3.795 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000921303696 1123512141 /nfs/dbraw/zinc/51/21/41/1123512141.db2.gz RAJYCQBWQVGEEF-QINSGFPZSA-N 1 2 344.455 3.635 20 0 EHADLO CC(=O)N1CC[NH+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CC1 ZINC000078282034 1129127087 /nfs/dbraw/zinc/12/70/87/1129127087.db2.gz AYNKOYZXQQJKIF-UHFFFAOYSA-N 1 2 343.496 3.598 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000152642881 1123526579 /nfs/dbraw/zinc/52/65/79/1123526579.db2.gz GKOVCGMAOLCLAV-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000078353145 1123622366 /nfs/dbraw/zinc/62/23/66/1123622366.db2.gz SUEWQOWTKWETQZ-MRXNPFEDSA-N 1 2 328.481 3.586 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1occc1CSc1ccccc1 ZINC000078377068 1123624496 /nfs/dbraw/zinc/62/44/96/1123624496.db2.gz BTGZEGAEFUOZKF-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000175391652 1123671313 /nfs/dbraw/zinc/67/13/13/1123671313.db2.gz DQCQZLOPRQRMET-HZPDHXFCSA-N 1 2 340.471 3.981 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)s1 ZINC000175517775 1123703647 /nfs/dbraw/zinc/70/36/47/1123703647.db2.gz OGFOBZSVBWJLIO-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)s1 ZINC000175517775 1123703649 /nfs/dbraw/zinc/70/36/49/1123703649.db2.gz OGFOBZSVBWJLIO-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000610127277 1123738330 /nfs/dbraw/zinc/73/83/30/1123738330.db2.gz ONCUPIZEVULBMP-JKSUJKDBSA-N 1 2 345.512 3.961 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519764 1123748554 /nfs/dbraw/zinc/74/85/54/1123748554.db2.gz VZJLWPWBAQVCSA-NSHDSACASA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519764 1123748559 /nfs/dbraw/zinc/74/85/59/1123748559.db2.gz VZJLWPWBAQVCSA-NSHDSACASA-N 1 2 331.243 3.552 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000615333781 1123783094 /nfs/dbraw/zinc/78/30/94/1123783094.db2.gz FVPYFDLPMVSCJN-KBPBESRZSA-N 1 2 332.394 3.629 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(F)c1 ZINC000179668140 1123822026 /nfs/dbraw/zinc/82/20/26/1123822026.db2.gz KVBVLOJBIFPJJM-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H]1c1ccccc1 ZINC000245439042 1123827370 /nfs/dbraw/zinc/82/73/70/1123827370.db2.gz SNCZUYXLEGGIAO-ORAYPTAESA-N 1 2 349.390 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H]1c1ccccc1 ZINC000245439042 1123827374 /nfs/dbraw/zinc/82/73/74/1123827374.db2.gz SNCZUYXLEGGIAO-ORAYPTAESA-N 1 2 349.390 3.658 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000245503359 1123851933 /nfs/dbraw/zinc/85/19/33/1123851933.db2.gz CVLFRFNRBDJSHB-XKGZKEIXSA-N 1 2 337.467 3.606 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000245649075 1123910389 /nfs/dbraw/zinc/91/03/89/1123910389.db2.gz JKBAJYMFUQPEOF-OCCSQVGLSA-N 1 2 325.522 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000245649075 1123910390 /nfs/dbraw/zinc/91/03/90/1123910390.db2.gz JKBAJYMFUQPEOF-OCCSQVGLSA-N 1 2 325.522 3.728 20 0 EHADLO CCc1oc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000245728634 1123938986 /nfs/dbraw/zinc/93/89/86/1123938986.db2.gz YDVZBLZASXSCTC-YJBOKZPZSA-N 1 2 348.393 3.604 20 0 EHADLO CCc1oc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000245728634 1123938988 /nfs/dbraw/zinc/93/89/88/1123938988.db2.gz YDVZBLZASXSCTC-YJBOKZPZSA-N 1 2 348.393 3.604 20 0 EHADLO COc1ccccc1/C(C)=C/C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420294 1123939013 /nfs/dbraw/zinc/93/90/13/1123939013.db2.gz XVHJREFLWXSPAY-FOCLMDBBSA-N 1 2 339.439 3.502 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245746147 1123942821 /nfs/dbraw/zinc/94/28/21/1123942821.db2.gz WLMGTBNOYSBTMA-GBESFXJTSA-N 1 2 341.499 3.905 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1OC ZINC000245769600 1123949719 /nfs/dbraw/zinc/94/97/19/1123949719.db2.gz RNIPUXFYRVFFHX-KUHUBIRLSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1OC ZINC000245769600 1123949723 /nfs/dbraw/zinc/94/97/23/1123949723.db2.gz RNIPUXFYRVFFHX-KUHUBIRLSA-N 1 2 345.414 3.805 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616456968 1124004288 /nfs/dbraw/zinc/00/42/88/1124004288.db2.gz PJGWLXULVJPGHH-QZTJIDSGSA-N 1 2 339.483 3.825 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616695189 1124024839 /nfs/dbraw/zinc/02/48/39/1124024839.db2.gz ZNPIMKVEDWNPFA-HUUCEWRRSA-N 1 2 327.428 3.587 20 0 EHADLO C[C@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C(C)(C)C ZINC000734534734 1131248529 /nfs/dbraw/zinc/24/85/29/1131248529.db2.gz OPOGFAWWDKIKKH-VEGGFIAOSA-N 1 2 343.515 3.709 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249145 1124452688 /nfs/dbraw/zinc/45/26/88/1124452688.db2.gz SYYFELSPJYBATD-CABCVRRESA-N 1 2 339.505 3.517 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249145 1124452691 /nfs/dbraw/zinc/45/26/91/1124452691.db2.gz SYYFELSPJYBATD-CABCVRRESA-N 1 2 339.505 3.517 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181070264 1124502605 /nfs/dbraw/zinc/50/26/05/1124502605.db2.gz GBHNKRNJORPPFY-QGZVFWFLSA-N 1 2 333.435 3.676 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247083697 1124587518 /nfs/dbraw/zinc/58/75/18/1124587518.db2.gz PITLCUAQKBTJDN-VXGBXAGGSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247083697 1124587533 /nfs/dbraw/zinc/58/75/33/1124587533.db2.gz PITLCUAQKBTJDN-VXGBXAGGSA-N 1 2 349.456 3.523 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)n2C)n1 ZINC000140262185 1124590721 /nfs/dbraw/zinc/59/07/21/1124590721.db2.gz NXLGFDAIQCDFCL-SFHVURJKSA-N 1 2 333.439 3.523 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)n2C)n1 ZINC000140262185 1124590726 /nfs/dbraw/zinc/59/07/26/1124590726.db2.gz NXLGFDAIQCDFCL-SFHVURJKSA-N 1 2 333.439 3.523 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 ZINC000247587790 1124617636 /nfs/dbraw/zinc/61/76/36/1124617636.db2.gz MOQQGVQATOUMSD-OXQOHEQNSA-N 1 2 338.451 3.938 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 ZINC000247587790 1124617639 /nfs/dbraw/zinc/61/76/39/1124617639.db2.gz MOQQGVQATOUMSD-OXQOHEQNSA-N 1 2 338.451 3.938 20 0 EHADLO CC(C)Oc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1F ZINC001212317979 1124619671 /nfs/dbraw/zinc/61/96/71/1124619671.db2.gz JZPDRXFAEOEUQI-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458669 1124665971 /nfs/dbraw/zinc/66/59/71/1124665971.db2.gz QKLPPTZCIAMROD-AGRHKRQWSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458669 1124665974 /nfs/dbraw/zinc/66/59/74/1124665974.db2.gz QKLPPTZCIAMROD-AGRHKRQWSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000734810760 1131279492 /nfs/dbraw/zinc/27/94/92/1131279492.db2.gz BYZOJQDAJFLNMI-RHSMWYFYSA-N 1 2 331.435 3.747 20 0 EHADLO C[C@@H]1CC(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000617663773 1124714993 /nfs/dbraw/zinc/71/49/93/1124714993.db2.gz AJFKHBJJHXWIQI-HOTGVXAUSA-N 1 2 325.456 3.734 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1C ZINC000735040647 1131304349 /nfs/dbraw/zinc/30/43/49/1131304349.db2.gz ZDNPRTFKNSXBBN-UHFFFAOYSA-N 1 2 337.423 3.735 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000089358269 1124808019 /nfs/dbraw/zinc/80/80/19/1124808019.db2.gz FYJQMRLELHUTEA-UYAOXDASSA-N 1 2 337.467 3.933 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCSCC1 ZINC000089984081 1124882058 /nfs/dbraw/zinc/88/20/58/1124882058.db2.gz RFYTTYZEIUGJOK-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCSCC1 ZINC000089984081 1124882067 /nfs/dbraw/zinc/88/20/67/1124882067.db2.gz RFYTTYZEIUGJOK-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO CCc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002021 1124884964 /nfs/dbraw/zinc/88/49/64/1124884964.db2.gz FUMDDNCQXNIMNS-XJKSGUPXSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002021 1124884969 /nfs/dbraw/zinc/88/49/69/1124884969.db2.gz FUMDDNCQXNIMNS-XJKSGUPXSA-N 1 2 349.887 3.534 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000448782600 1124908151 /nfs/dbraw/zinc/90/81/51/1124908151.db2.gz FGQYMWNZSXNOTJ-JFIYKMOQSA-N 1 2 330.472 3.530 20 0 EHADLO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2occc2Br)C1 ZINC000735323132 1131331539 /nfs/dbraw/zinc/33/15/39/1131331539.db2.gz RNEKVDGPLHESRF-DZGCQCFKSA-N 1 2 349.272 3.967 20 0 EHADLO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2occc2Br)C1 ZINC000735323137 1131330949 /nfs/dbraw/zinc/33/09/49/1131330949.db2.gz RNEKVDGPLHESRF-ZFWWWQNUSA-N 1 2 349.272 3.967 20 0 EHADLO CC[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H](C)CS(=O)(=O)CC ZINC000093414090 1125245028 /nfs/dbraw/zinc/24/50/28/1125245028.db2.gz VYEIQVALBXCZHF-HNNXBMFYSA-N 1 2 337.485 3.695 20 0 EHADLO CC[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H](C)CS(=O)(=O)CC ZINC000093414090 1125245034 /nfs/dbraw/zinc/24/50/34/1125245034.db2.gz VYEIQVALBXCZHF-HNNXBMFYSA-N 1 2 337.485 3.695 20 0 EHADLO C[C@](CO)([NH2+]C/C(Cl)=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000763562662 1125332341 /nfs/dbraw/zinc/33/23/41/1125332341.db2.gz OCEOBJBSAYCBOW-HUMZTAOYSA-N 1 2 328.161 3.822 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152856901 1125388969 /nfs/dbraw/zinc/38/89/69/1125388969.db2.gz QNJAFRZJUHUSAS-POAQFYNOSA-N 1 2 337.467 3.754 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CCC(C)(C)CC1 ZINC000152872227 1125391044 /nfs/dbraw/zinc/39/10/44/1125391044.db2.gz YINQDLUVRYBAJZ-UHFFFAOYSA-N 1 2 344.499 3.982 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3cc(C)cc(C)c3)CCCCC2)no1 ZINC000619968181 1125443649 /nfs/dbraw/zinc/44/36/49/1125443649.db2.gz NUSBBWNXDFURCE-UHFFFAOYSA-N 1 2 329.444 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCCC(C)C)[C@@H](C)C1 ZINC001128412520 1129202511 /nfs/dbraw/zinc/20/25/11/1129202511.db2.gz VXQNYFRSNJNYDQ-SFHVURJKSA-N 1 2 346.515 3.944 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCCC(C)C)[C@@H](C)C1 ZINC001128412520 1129202516 /nfs/dbraw/zinc/20/25/16/1129202516.db2.gz VXQNYFRSNJNYDQ-SFHVURJKSA-N 1 2 346.515 3.944 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)n1 ZINC000338808568 1129213251 /nfs/dbraw/zinc/21/32/51/1129213251.db2.gz HIEOIQDQSUPEAY-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCc2c1cccc2-c1ccccc1 ZINC000682531672 1129219365 /nfs/dbraw/zinc/21/93/65/1129219365.db2.gz SGHZMLQKSAVSMS-QGZVFWFLSA-N 1 2 343.430 3.702 20 0 EHADLO O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000115032274 1129224285 /nfs/dbraw/zinc/22/42/85/1129224285.db2.gz PFKRHEVKUFRKTA-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000115214825 1129247572 /nfs/dbraw/zinc/24/75/72/1129247572.db2.gz JVHWMVKXHBPYOZ-FQEVSTJZSA-N 1 2 345.446 3.668 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000067155976 1129249458 /nfs/dbraw/zinc/24/94/58/1129249458.db2.gz JKJYSJBTZURAOF-GOSISDBHSA-N 1 2 345.512 3.738 20 0 EHADLO FC(F)n1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000347693520 1129254049 /nfs/dbraw/zinc/25/40/49/1129254049.db2.gz XAHJCZZMOFUDIC-UHFFFAOYSA-N 1 2 331.370 3.534 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(O)cc3)n2)ccc1F ZINC000682999730 1129257980 /nfs/dbraw/zinc/25/79/80/1129257980.db2.gz QHDZOXYQOMFIQY-GFCCVEGCSA-N 1 2 327.359 3.741 20 0 EHADLO C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000067716306 1129299128 /nfs/dbraw/zinc/29/91/28/1129299128.db2.gz XBGIMWHXZOTRRM-KRWDZBQOSA-N 1 2 345.446 3.754 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[nH]1 ZINC000657419734 1129309208 /nfs/dbraw/zinc/30/92/08/1129309208.db2.gz GRLKWSLRHIRKJN-GFCCVEGCSA-N 1 2 341.390 3.544 20 0 EHADLO O=C(Cc1cccc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067817347 1129310873 /nfs/dbraw/zinc/31/08/73/1129310873.db2.gz RXTUMDIMZPOTPS-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(C)(C)C1 ZINC000543190235 1129325913 /nfs/dbraw/zinc/32/59/13/1129325913.db2.gz LNOOTINPCUZDPJ-MRXNPFEDSA-N 1 2 344.503 3.650 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068422127 1129369394 /nfs/dbraw/zinc/36/93/94/1129369394.db2.gz CJPSCXMLJZVTEG-MRXNPFEDSA-N 1 2 325.456 3.756 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+]3CCS[C@H](C)[C@@H]3C)c2=S)cc1 ZINC000735666174 1131370904 /nfs/dbraw/zinc/37/09/04/1131370904.db2.gz CTYNJIUCEZLQHT-UONOGXRCSA-N 1 2 349.525 3.800 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+]3CCS[C@H](C)[C@@H]3C)c2=S)cc1 ZINC000735666174 1131370911 /nfs/dbraw/zinc/37/09/11/1131370911.db2.gz CTYNJIUCEZLQHT-UONOGXRCSA-N 1 2 349.525 3.800 20 0 EHADLO COCC[NH2+]Cc1nc(C2(c3cccc(Cl)c3)CCCCC2)no1 ZINC000843237471 1129432841 /nfs/dbraw/zinc/43/28/41/1129432841.db2.gz CJEYPZXDLMDUIU-UHFFFAOYSA-N 1 2 349.862 3.709 20 0 EHADLO Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)c1 ZINC000543366349 1129439215 /nfs/dbraw/zinc/43/92/15/1129439215.db2.gz MBRWJIOQAFVSRV-KRWDZBQOSA-N 1 2 346.434 3.514 20 0 EHADLO OC[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)c1ccc(Cl)cc1 ZINC000673477032 1129452436 /nfs/dbraw/zinc/45/24/36/1129452436.db2.gz QIXKXNQVMKHKLT-NSHDSACASA-N 1 2 330.737 3.942 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)[C@@H]2C ZINC001168726437 1129531247 /nfs/dbraw/zinc/53/12/47/1129531247.db2.gz JLQIQSYLBLQZLD-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)[C@@H]2C ZINC001168726437 1129531252 /nfs/dbraw/zinc/53/12/52/1129531252.db2.gz JLQIQSYLBLQZLD-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922470952 1129541130 /nfs/dbraw/zinc/54/11/30/1129541130.db2.gz CMBTWQWHFGKZLN-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO COc1cc(C)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000922521391 1129561115 /nfs/dbraw/zinc/56/11/15/1129561115.db2.gz UVDVGDLFDNFOIM-BEFAXECRSA-N 1 2 331.387 3.574 20 0 EHADLO c1ccc(Oc2cccc(C[NH2+][C@H](c3ncccn3)C3CC3)c2)nc1 ZINC000922573475 1129576015 /nfs/dbraw/zinc/57/60/15/1129576015.db2.gz BGZORZHMDBEPPH-IBGZPJMESA-N 1 2 332.407 3.905 20 0 EHADLO CCCCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000124470351 1129610279 /nfs/dbraw/zinc/61/02/79/1129610279.db2.gz NJBBYKJPOGYMRW-IRXDYDNUSA-N 1 2 328.460 3.845 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC000922659240 1129618022 /nfs/dbraw/zinc/61/80/22/1129618022.db2.gz MWSVIDMMAXMGHY-QUCCMNQESA-N 1 2 348.450 3.720 20 0 EHADLO c1nc([C@H]2CCCO2)sc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922697866 1129630376 /nfs/dbraw/zinc/63/03/76/1129630376.db2.gz WLGNKUMQEZGSMM-CYBMUJFWSA-N 1 2 335.498 3.620 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccsc1)c1ccccc1 ZINC000624960466 1129637802 /nfs/dbraw/zinc/63/78/02/1129637802.db2.gz FZZQEFNJSPOPEU-UHFFFAOYSA-N 1 2 325.437 3.958 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000509022449 1129660593 /nfs/dbraw/zinc/66/05/93/1129660593.db2.gz PSJJHIYPTHTJBW-ROUUACIJSA-N 1 2 333.472 3.527 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000509022449 1129660596 /nfs/dbraw/zinc/66/05/96/1129660596.db2.gz PSJJHIYPTHTJBW-ROUUACIJSA-N 1 2 333.472 3.527 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000509022450 1129660788 /nfs/dbraw/zinc/66/07/88/1129660788.db2.gz PSJJHIYPTHTJBW-ZWKOTPCHSA-N 1 2 333.472 3.527 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000509022450 1129660790 /nfs/dbraw/zinc/66/07/90/1129660790.db2.gz PSJJHIYPTHTJBW-ZWKOTPCHSA-N 1 2 333.472 3.527 20 0 EHADLO Cc1cc(Br)cn2c(CN[C@@H]3CCCC3(F)F)c[nH+]c12 ZINC000673618549 1129674614 /nfs/dbraw/zinc/67/46/14/1129674614.db2.gz QCTNBGDVXJIBTL-GFCCVEGCSA-N 1 2 344.203 3.683 20 0 EHADLO CC(C)n1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000347745022 1129675722 /nfs/dbraw/zinc/67/57/22/1129675722.db2.gz CULSXBUGMHXZMA-HXUWFJFHSA-N 1 2 348.450 3.934 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000338882174 1129683500 /nfs/dbraw/zinc/68/35/00/1129683500.db2.gz YDULGWLRBRAZPY-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282392974 1129686656 /nfs/dbraw/zinc/68/66/56/1129686656.db2.gz ROEBHUDRLJFVIZ-QGZVFWFLSA-N 1 2 337.467 3.856 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000347757221 1129692777 /nfs/dbraw/zinc/69/27/77/1129692777.db2.gz WFWUYOYKIAHDCJ-HXUWFJFHSA-N 1 2 348.450 3.763 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(C)o1 ZINC000347767674 1129703424 /nfs/dbraw/zinc/70/34/24/1129703424.db2.gz FMSVOXPHSLJHQD-AWEZNQCLSA-N 1 2 338.411 3.643 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000429066338 1129736850 /nfs/dbraw/zinc/73/68/50/1129736850.db2.gz SSFDWPIFPWPSRS-UHFFFAOYSA-N 1 2 340.814 3.572 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000429077935 1129744575 /nfs/dbraw/zinc/74/45/75/1129744575.db2.gz MFOYKAAUSHVQMM-LSDHHAIUSA-N 1 2 332.473 3.829 20 0 EHADLO CCc1cccc(Cc2cnc(NC(=O)CCc3c[nH]c[nH+]3)s2)c1 ZINC000482968179 1129753290 /nfs/dbraw/zinc/75/32/90/1129753290.db2.gz ZUFVYHGISXZVCZ-UHFFFAOYSA-N 1 2 340.452 3.591 20 0 EHADLO CCc1cccc(Cc2cnc(NC(=O)CCc3c[nH+]c[nH]3)s2)c1 ZINC000482968179 1129753293 /nfs/dbraw/zinc/75/32/93/1129753293.db2.gz ZUFVYHGISXZVCZ-UHFFFAOYSA-N 1 2 340.452 3.591 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625203123 1129759756 /nfs/dbraw/zinc/75/97/56/1129759756.db2.gz FARXNDKODDEGCN-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625203123 1129759758 /nfs/dbraw/zinc/75/97/58/1129759758.db2.gz FARXNDKODDEGCN-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625242807 1129782687 /nfs/dbraw/zinc/78/26/87/1129782687.db2.gz WFXZSDLIVHEUKQ-LLVKDONJSA-N 1 2 346.843 3.624 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000625276254 1129799252 /nfs/dbraw/zinc/79/92/52/1129799252.db2.gz MWSKZHOJHZNHTH-KRWDZBQOSA-N 1 2 325.456 3.577 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000673701489 1129800204 /nfs/dbraw/zinc/80/02/04/1129800204.db2.gz HEFZDSGIKBEXRP-UHFFFAOYSA-N 1 2 345.446 3.864 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(OC4CCC4)cc3)[nH+]c12 ZINC000673723852 1129811399 /nfs/dbraw/zinc/81/13/99/1129811399.db2.gz HGAFEAXYHNGAJX-UHFFFAOYSA-N 1 2 349.434 3.547 20 0 EHADLO CCSc1ccccc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673725381 1129811658 /nfs/dbraw/zinc/81/16/58/1129811658.db2.gz NSXJZVRGKDMHNB-UHFFFAOYSA-N 1 2 339.464 3.727 20 0 EHADLO Cc1cccn2cc(CCNC(=O)NC3(c4ccccc4)CCC3)[nH+]c12 ZINC000673773783 1129838539 /nfs/dbraw/zinc/83/85/39/1129838539.db2.gz WLOUVIXOHVAFDZ-UHFFFAOYSA-N 1 2 348.450 3.564 20 0 EHADLO FC1(F)CN([C@H]2Cc3cccc(Cl)c3C2)CC[C@H]1[NH+]1CCCC1 ZINC001168742070 1129846044 /nfs/dbraw/zinc/84/60/44/1129846044.db2.gz CAFDHGBLVCRQEO-WMLDXEAASA-N 1 2 340.845 3.613 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1CC(OCc2ccccc2)C1 ZINC000673794129 1129847446 /nfs/dbraw/zinc/84/74/46/1129847446.db2.gz INNXHGFJPMCCLC-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCC(=O)c3cccc(F)c3)cc2[nH+]1 ZINC000347811359 1129858544 /nfs/dbraw/zinc/85/85/44/1129858544.db2.gz QUZBDWJSVMNMHJ-UHFFFAOYSA-N 1 2 325.343 3.612 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000429142394 1129858919 /nfs/dbraw/zinc/85/89/19/1129858919.db2.gz MGGCRWAFIGGHJD-INIZCTEOSA-N 1 2 326.444 3.640 20 0 EHADLO C[N@@H+]1CC[C@H](NCc2noc(C3CCC3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000625439268 1129871760 /nfs/dbraw/zinc/87/17/60/1129871760.db2.gz DZHCWLMEECFRET-RDJZCZTQSA-N 1 2 346.862 3.526 20 0 EHADLO C[N@H+]1CC[C@H](NCc2noc(C3CCC3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000625439268 1129871768 /nfs/dbraw/zinc/87/17/68/1129871768.db2.gz DZHCWLMEECFRET-RDJZCZTQSA-N 1 2 346.862 3.526 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440737 1129874132 /nfs/dbraw/zinc/87/41/32/1129874132.db2.gz SZKBPUMSDOBLHS-OALUTQOASA-N 1 2 342.414 3.523 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440737 1129874137 /nfs/dbraw/zinc/87/41/37/1129874137.db2.gz SZKBPUMSDOBLHS-OALUTQOASA-N 1 2 342.414 3.523 20 0 EHADLO CC1(C)[C@H]([NH2+]Cc2noc(C3CCC3)n2)C[C@H]1OCc1ccccc1 ZINC000625459162 1129886907 /nfs/dbraw/zinc/88/69/07/1129886907.db2.gz RZWAPXNWCGZPFH-IAGOWNOFSA-N 1 2 341.455 3.811 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000543493959 1129886953 /nfs/dbraw/zinc/88/69/53/1129886953.db2.gz RTJUITKRHDNWMG-LLVKDONJSA-N 1 2 349.422 3.652 20 0 EHADLO CC[C@H]([NH2+]CC(=O)NC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000543493960 1129887005 /nfs/dbraw/zinc/88/70/05/1129887005.db2.gz RTJUITKRHDNWMG-NSHDSACASA-N 1 2 349.422 3.652 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282458829 1129891930 /nfs/dbraw/zinc/89/19/30/1129891930.db2.gz VYINVBNSADIHHP-STTHAQSSSA-N 1 2 329.488 3.918 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000455564724 1129897218 /nfs/dbraw/zinc/89/72/18/1129897218.db2.gz ITCMFLOJMGEFOK-HZPDHXFCSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429157553 1129900502 /nfs/dbraw/zinc/90/05/02/1129900502.db2.gz VNZDNOMFWVOJSF-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429157553 1129900504 /nfs/dbraw/zinc/90/05/04/1129900504.db2.gz VNZDNOMFWVOJSF-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)n1C1CC1 ZINC000429161452 1129901053 /nfs/dbraw/zinc/90/10/53/1129901053.db2.gz VQIKQRIRSLRYIW-MRXNPFEDSA-N 1 2 348.903 3.941 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)n1C1CC1 ZINC000429161452 1129901057 /nfs/dbraw/zinc/90/10/57/1129901057.db2.gz VQIKQRIRSLRYIW-MRXNPFEDSA-N 1 2 348.903 3.941 20 0 EHADLO C/C=C(C)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001273112949 1129905709 /nfs/dbraw/zinc/90/57/09/1129905709.db2.gz YWDLWMJXCMCYTR-HMJYUFPJSA-N 1 2 348.531 3.637 20 0 EHADLO C/C=C(C)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001273112949 1129905712 /nfs/dbraw/zinc/90/57/12/1129905712.db2.gz YWDLWMJXCMCYTR-HMJYUFPJSA-N 1 2 348.531 3.637 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)sc1C ZINC000029927682 1129906416 /nfs/dbraw/zinc/90/64/16/1129906416.db2.gz HMNUAGUZVKHDGB-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO c1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cs1 ZINC000057979171 1129921043 /nfs/dbraw/zinc/92/10/43/1129921043.db2.gz HIFHBMUOMHJZMZ-UHFFFAOYSA-N 1 2 347.447 3.681 20 0 EHADLO CC(C)(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000466577077 1129941069 /nfs/dbraw/zinc/94/10/69/1129941069.db2.gz JJZOLTPEMCBDSR-AWEZNQCLSA-N 1 2 341.858 3.541 20 0 EHADLO CC(C)(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000466577077 1129941070 /nfs/dbraw/zinc/94/10/70/1129941070.db2.gz JJZOLTPEMCBDSR-AWEZNQCLSA-N 1 2 341.858 3.541 20 0 EHADLO CCN(C)c1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC001649122980 1129951257 /nfs/dbraw/zinc/95/12/57/1129951257.db2.gz MUHBKISLUHCYLF-UHFFFAOYSA-N 1 2 340.290 3.652 20 0 EHADLO COC(=O)c1occc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282498684 1129951404 /nfs/dbraw/zinc/95/14/04/1129951404.db2.gz QQPRPNMYBOSSRB-GFCCVEGCSA-N 1 2 331.334 3.621 20 0 EHADLO COC(=O)c1occc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282498684 1129951405 /nfs/dbraw/zinc/95/14/05/1129951405.db2.gz QQPRPNMYBOSSRB-GFCCVEGCSA-N 1 2 331.334 3.621 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009773 1129956982 /nfs/dbraw/zinc/95/69/82/1129956982.db2.gz LKENQXHGCFXDKU-DNVCBOLYSA-N 1 2 330.447 3.968 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009773 1129956986 /nfs/dbraw/zinc/95/69/86/1129956986.db2.gz LKENQXHGCFXDKU-DNVCBOLYSA-N 1 2 330.447 3.968 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625644621 1129966171 /nfs/dbraw/zinc/96/61/71/1129966171.db2.gz CFSIAUAQVVHJOU-GHMZBOCLSA-N 1 2 346.805 3.510 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654705 1129967173 /nfs/dbraw/zinc/96/71/73/1129967173.db2.gz PSQZDTXOTLTVPY-TXEJJXNPSA-N 1 2 325.378 3.918 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654705 1129967175 /nfs/dbraw/zinc/96/71/75/1129967175.db2.gz PSQZDTXOTLTVPY-TXEJJXNPSA-N 1 2 325.378 3.918 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)C3CCCC3)CC2)c1 ZINC000674103383 1129999775 /nfs/dbraw/zinc/99/97/75/1129999775.db2.gz LODVYVFSUYBHIK-IAGOWNOFSA-N 1 2 344.499 3.727 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1F ZINC000171268354 1130041211 /nfs/dbraw/zinc/04/12/11/1130041211.db2.gz IKACQWQZYIDEQH-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)F)c1 ZINC000171552011 1130067529 /nfs/dbraw/zinc/06/75/29/1130067529.db2.gz GHMCVQZGSZEAOC-UHFFFAOYSA-N 1 2 346.377 3.709 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cccc(OCc3ccccn3)c2)[nH+]1 ZINC000674336957 1130068756 /nfs/dbraw/zinc/06/87/56/1130068756.db2.gz YSYUVCGUKRLKLR-UHFFFAOYSA-N 1 2 345.406 3.852 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674390354 1130082629 /nfs/dbraw/zinc/08/26/29/1130082629.db2.gz UZOHTWGDGMLQMN-DYESRHJHSA-N 1 2 349.478 3.590 20 0 EHADLO CCOC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000172760281 1130159367 /nfs/dbraw/zinc/15/93/67/1130159367.db2.gz ZVIIQEZQTWEFPR-CYBMUJFWSA-N 1 2 349.862 3.876 20 0 EHADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000674717154 1130179190 /nfs/dbraw/zinc/17/91/90/1130179190.db2.gz JVVBVSIBBLZDFS-KRWDZBQOSA-N 1 2 336.391 3.964 20 0 EHADLO Cc1cccc(CC2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000674735040 1130186337 /nfs/dbraw/zinc/18/63/37/1130186337.db2.gz MCFQGJUMYCUCDY-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)C(C)C)cs1)c1ccc(F)cc1F ZINC000674754083 1130187631 /nfs/dbraw/zinc/18/76/31/1130187631.db2.gz OIZFFMXVXSVSNJ-UHFFFAOYSA-N 1 2 339.411 3.946 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)C(C)C)cs1)c1ccc(F)cc1F ZINC000674754083 1130187635 /nfs/dbraw/zinc/18/76/35/1130187635.db2.gz OIZFFMXVXSVSNJ-UHFFFAOYSA-N 1 2 339.411 3.946 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869321 1130212517 /nfs/dbraw/zinc/21/25/17/1130212517.db2.gz WVTIKXWBBWEOMO-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674869321 1130212522 /nfs/dbraw/zinc/21/25/22/1130212522.db2.gz WVTIKXWBBWEOMO-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCOC(C)(C)C)o1 ZINC000674904143 1130219379 /nfs/dbraw/zinc/21/93/79/1130219379.db2.gz MHLZKZSAKMOXNE-KRWDZBQOSA-N 1 2 329.444 3.683 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCOC(C)(C)C)o1 ZINC000674904143 1130219387 /nfs/dbraw/zinc/21/93/87/1130219387.db2.gz MHLZKZSAKMOXNE-KRWDZBQOSA-N 1 2 329.444 3.683 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133516 1130263912 /nfs/dbraw/zinc/26/39/12/1130263912.db2.gz CDSMTOHOOIISLV-WMZOPIPTSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133516 1130263915 /nfs/dbraw/zinc/26/39/15/1130263915.db2.gz CDSMTOHOOIISLV-WMZOPIPTSA-N 1 2 340.467 3.692 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2c(C3CC3)cnn2C)c2ccccn2)cc1 ZINC000658213830 1130269756 /nfs/dbraw/zinc/26/97/56/1130269756.db2.gz UOWGTKRUROWAAV-NRFANRHFSA-N 1 2 348.450 3.580 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675257980 1130298953 /nfs/dbraw/zinc/29/89/53/1130298953.db2.gz OWSIFESRZWUFHS-HNAYVOBHSA-N 1 2 349.434 3.768 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001137610297 1130386291 /nfs/dbraw/zinc/38/62/91/1130386291.db2.gz LWJVYBUNOFULDJ-GOSISDBHSA-N 1 2 348.277 3.803 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001137610297 1130386297 /nfs/dbraw/zinc/38/62/97/1130386297.db2.gz LWJVYBUNOFULDJ-GOSISDBHSA-N 1 2 348.277 3.803 20 0 EHADLO CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675584528 1130429325 /nfs/dbraw/zinc/42/93/25/1130429325.db2.gz YDDGVQUFWNFJKJ-SFHVURJKSA-N 1 2 334.423 3.553 20 0 EHADLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000675799655 1130478078 /nfs/dbraw/zinc/47/80/78/1130478078.db2.gz USJNTWCLLDXAKR-UHFFFAOYSA-N 1 2 344.365 3.501 20 0 EHADLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000675799655 1130478082 /nfs/dbraw/zinc/47/80/82/1130478082.db2.gz USJNTWCLLDXAKR-UHFFFAOYSA-N 1 2 344.365 3.501 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000675894316 1130497189 /nfs/dbraw/zinc/49/71/89/1130497189.db2.gz FFRKLVLYEVIQSP-WCQYABFASA-N 1 2 325.416 3.592 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975671 1130513357 /nfs/dbraw/zinc/51/33/57/1130513357.db2.gz WFFWXHIASPDRDW-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974548 1130513567 /nfs/dbraw/zinc/51/35/67/1130513567.db2.gz FVCRIUKERBDJPR-ZDUSSCGKSA-N 1 2 345.406 3.773 20 0 EHADLO Cc1ccc(OC(F)F)c(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535266353 1130587902 /nfs/dbraw/zinc/58/79/02/1130587902.db2.gz QKTVJNMEXDJEHX-QGZVFWFLSA-N 1 2 332.394 3.873 20 0 EHADLO Cc1ccc(OC(F)F)c(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535266353 1130587903 /nfs/dbraw/zinc/58/79/03/1130587903.db2.gz QKTVJNMEXDJEHX-QGZVFWFLSA-N 1 2 332.394 3.873 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cncnc1 ZINC000167837417 1130629603 /nfs/dbraw/zinc/62/96/03/1130629603.db2.gz VVXQMYSRHMBBEQ-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccc(-n2cccn2)cc1 ZINC000729987254 1130663574 /nfs/dbraw/zinc/66/35/74/1130663574.db2.gz IICFYOVDBJVASU-UHFFFAOYSA-N 1 2 340.814 3.767 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000731029423 1130759833 /nfs/dbraw/zinc/75/98/33/1130759833.db2.gz SYNAXAZEKZCGLR-UHFFFAOYSA-N 1 2 331.372 3.783 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000732187690 1130892020 /nfs/dbraw/zinc/89/20/20/1130892020.db2.gz YMRGEONODWSIRJ-GFCCVEGCSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000732187690 1130892024 /nfs/dbraw/zinc/89/20/24/1130892024.db2.gz YMRGEONODWSIRJ-GFCCVEGCSA-N 1 2 340.652 3.746 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000732183508 1130894666 /nfs/dbraw/zinc/89/46/66/1130894666.db2.gz MIQYYJWLRDNNKZ-ZDUSSCGKSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000732183508 1130894673 /nfs/dbraw/zinc/89/46/73/1130894673.db2.gz MIQYYJWLRDNNKZ-ZDUSSCGKSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000732734648 1130950022 /nfs/dbraw/zinc/95/00/22/1130950022.db2.gz AJXDMTWMFFTOCT-KRWDZBQOSA-N 1 2 326.440 3.592 20 0 EHADLO Clc1ccc(Cl)c(-c2ccn(C[NH+]3CCSCC3)n2)c1 ZINC000732978466 1130977785 /nfs/dbraw/zinc/97/77/85/1130977785.db2.gz LBUHRLYRYBVIRF-UHFFFAOYSA-N 1 2 328.268 3.863 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733198411 1131004272 /nfs/dbraw/zinc/00/42/72/1131004272.db2.gz ZYUATOVWFUOWRC-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733198411 1131004275 /nfs/dbraw/zinc/00/42/75/1131004275.db2.gz ZYUATOVWFUOWRC-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2cc(Br)cn2)C1 ZINC000733298289 1131018066 /nfs/dbraw/zinc/01/80/66/1131018066.db2.gz FLFREJQWBNIDOI-MRXNPFEDSA-N 1 2 334.261 3.657 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2cc(Br)cn2)C1 ZINC000733298289 1131018071 /nfs/dbraw/zinc/01/80/71/1131018071.db2.gz FLFREJQWBNIDOI-MRXNPFEDSA-N 1 2 334.261 3.657 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC001231438788 1131164002 /nfs/dbraw/zinc/16/40/02/1131164002.db2.gz MPAYCCGDJWMCBU-GLXFQSAKSA-N 1 2 330.653 3.569 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC001231438788 1131164006 /nfs/dbraw/zinc/16/40/06/1131164006.db2.gz MPAYCCGDJWMCBU-GLXFQSAKSA-N 1 2 330.653 3.569 20 0 EHADLO c1coc([C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CCO2)c1 ZINC000177675315 1131171097 /nfs/dbraw/zinc/17/10/97/1131171097.db2.gz FBHAWIHFEMPKCS-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO c1coc([C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CCO2)c1 ZINC000177675315 1131171100 /nfs/dbraw/zinc/17/11/00/1131171100.db2.gz FBHAWIHFEMPKCS-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000736621241 1131427642 /nfs/dbraw/zinc/42/76/42/1131427642.db2.gz RZMFYOCBIFSUEN-WFASDCNBSA-N 1 2 339.505 3.719 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000736621241 1131427647 /nfs/dbraw/zinc/42/76/47/1131427647.db2.gz RZMFYOCBIFSUEN-WFASDCNBSA-N 1 2 339.505 3.719 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC/C=C\c1ccccc1 ZINC000737806185 1131455694 /nfs/dbraw/zinc/45/56/94/1131455694.db2.gz JEPJRYNDLRVTKM-VTSXBNNFSA-N 1 2 325.456 3.908 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1OC ZINC000738920729 1131491394 /nfs/dbraw/zinc/49/13/94/1131491394.db2.gz WMZRMEAYHMLWSC-INIZCTEOSA-N 1 2 338.411 3.924 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738989350 1131492780 /nfs/dbraw/zinc/49/27/80/1131492780.db2.gz AIAQGKGTNMTFAR-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000739897209 1131513230 /nfs/dbraw/zinc/51/32/30/1131513230.db2.gz BIONHNDEWUAHRM-UHFFFAOYSA-N 1 2 346.475 3.910 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000740909315 1131554919 /nfs/dbraw/zinc/55/49/19/1131554919.db2.gz CQYCETFEFZSNJO-DOTOQJQBSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@H](C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCCC1 ZINC000741029465 1131571633 /nfs/dbraw/zinc/57/16/33/1131571633.db2.gz PLHVNZGYAPDCOZ-NEFAXPCMSA-N 1 2 347.499 3.580 20 0 EHADLO C[C@@H](C(=O)OCC(=O)c1cccc2ccccc21)[NH+]1CCCCCC1 ZINC000741027180 1131571733 /nfs/dbraw/zinc/57/17/33/1131571733.db2.gz VGIQQJCRZRIVGT-INIZCTEOSA-N 1 2 339.435 3.830 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741149504 1131583973 /nfs/dbraw/zinc/58/39/73/1131583973.db2.gz ZFWLMQIYNCVOCD-OAHLLOKOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741149504 1131583975 /nfs/dbraw/zinc/58/39/75/1131583975.db2.gz ZFWLMQIYNCVOCD-OAHLLOKOSA-N 1 2 348.830 3.913 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)c2cccc(C)c2)c1C ZINC000741279351 1131590547 /nfs/dbraw/zinc/59/05/47/1131590547.db2.gz SYGFICDEZHNQTC-AWEZNQCLSA-N 1 2 341.455 3.618 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741400535 1131601122 /nfs/dbraw/zinc/60/11/22/1131601122.db2.gz AGYZNSSCJUMBNF-ZDUSSCGKSA-N 1 2 340.349 3.537 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CNc2c(C)cccc2C)n1 ZINC000742052686 1131683814 /nfs/dbraw/zinc/68/38/14/1131683814.db2.gz SBANQDQKEDDKPM-UHFFFAOYSA-N 1 2 346.500 3.652 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000742097573 1131688910 /nfs/dbraw/zinc/68/89/10/1131688910.db2.gz BXWJFOUGPLJZKP-INIZCTEOSA-N 1 2 348.443 3.813 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000742097573 1131688915 /nfs/dbraw/zinc/68/89/15/1131688915.db2.gz BXWJFOUGPLJZKP-INIZCTEOSA-N 1 2 348.443 3.813 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742147821 1131691051 /nfs/dbraw/zinc/69/10/51/1131691051.db2.gz MPBYOVNRDBCAPE-NSHDSACASA-N 1 2 338.427 3.965 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742147821 1131691055 /nfs/dbraw/zinc/69/10/55/1131691055.db2.gz MPBYOVNRDBCAPE-NSHDSACASA-N 1 2 338.427 3.965 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@@H+]3CCC[C@@H]3C3CC3)[nH]2)c1 ZINC000742147930 1131691159 /nfs/dbraw/zinc/69/11/59/1131691159.db2.gz LNDDLRDZURGTFW-CQSZACIVSA-N 1 2 336.411 3.718 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@H+]3CCC[C@@H]3C3CC3)[nH]2)c1 ZINC000742147930 1131691162 /nfs/dbraw/zinc/69/11/62/1131691162.db2.gz LNDDLRDZURGTFW-CQSZACIVSA-N 1 2 336.411 3.718 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)CCOCC(C)C ZINC001172456950 1131751099 /nfs/dbraw/zinc/75/10/99/1131751099.db2.gz KFJSYRZVURLLQS-MJGOQNOKSA-N 1 2 335.488 3.592 20 0 EHADLO CCCCCC[C@H](CCCC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172517138 1131765971 /nfs/dbraw/zinc/76/59/71/1131765971.db2.gz OJUBGHPBJQPMJJ-FUHWJXTLSA-N 1 2 337.508 3.623 20 0 EHADLO CCCCCC[C@H](CCCC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172517138 1131765972 /nfs/dbraw/zinc/76/59/72/1131765972.db2.gz OJUBGHPBJQPMJJ-FUHWJXTLSA-N 1 2 337.508 3.623 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccc(C)o3)CC2)s1 ZINC000742693493 1131774270 /nfs/dbraw/zinc/77/42/70/1131774270.db2.gz GDLOFRDGBOZQMG-HNNXBMFYSA-N 1 2 346.496 3.660 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1sc(C)nc1C)C2 ZINC001206171288 1131796130 /nfs/dbraw/zinc/79/61/30/1131796130.db2.gz DQAYZBTYHLGEAR-UHFFFAOYSA-N 1 2 336.482 3.556 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1sc(C)nc1C)C2 ZINC001206171288 1131796139 /nfs/dbraw/zinc/79/61/39/1131796139.db2.gz DQAYZBTYHLGEAR-UHFFFAOYSA-N 1 2 336.482 3.556 20 0 EHADLO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCn3cc(C(F)(F)F)nc3C1)CC2 ZINC001172830784 1131855600 /nfs/dbraw/zinc/85/56/00/1131855600.db2.gz KXDKMIKIRYLKLU-OAHLLOKOSA-N 1 2 335.373 3.583 20 0 EHADLO Cc1ccc2c(c1)C[C@H]([N@H+]1CCn3cc(C(F)(F)F)nc3C1)CC2 ZINC001172830784 1131855605 /nfs/dbraw/zinc/85/56/05/1131855605.db2.gz KXDKMIKIRYLKLU-OAHLLOKOSA-N 1 2 335.373 3.583 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CCCCC1 ZINC001172855154 1131872347 /nfs/dbraw/zinc/87/23/47/1131872347.db2.gz WGUXWXDSYBQFNL-LBPRGKRZSA-N 1 2 327.827 3.876 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC001172853539 1131872728 /nfs/dbraw/zinc/87/27/28/1131872728.db2.gz MNHJGDDCOXIBFG-AWEZNQCLSA-N 1 2 336.838 3.821 20 0 EHADLO CCC1(O)CC[NH+](Cn2ccn(-c3cccc(C)c3)c2=S)CC1 ZINC000742175607 1131873994 /nfs/dbraw/zinc/87/39/94/1131873994.db2.gz IYMVCHRLPGXZRJ-UHFFFAOYSA-N 1 2 331.485 3.511 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1c(F)cc(F)cc1F ZINC000743221353 1131877931 /nfs/dbraw/zinc/87/79/31/1131877931.db2.gz WEXUGJAXWPBTSB-ZDUSSCGKSA-N 1 2 340.349 3.537 20 0 EHADLO O=C(O[C@H]1CCOc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766299014 1131879310 /nfs/dbraw/zinc/87/93/10/1131879310.db2.gz KRCONBZNMPZCNF-KRWDZBQOSA-N 1 2 338.338 3.692 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000743349901 1131907859 /nfs/dbraw/zinc/90/78/59/1131907859.db2.gz LLVHFNXNKPDFBR-AWEZNQCLSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000743349901 1131907867 /nfs/dbraw/zinc/90/78/67/1131907867.db2.gz LLVHFNXNKPDFBR-AWEZNQCLSA-N 1 2 328.378 3.743 20 0 EHADLO FC(F)(F)Oc1cncc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695871 1131929589 /nfs/dbraw/zinc/92/95/89/1131929589.db2.gz XBRBLEHLFKSZIU-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO CCCCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743519422 1131935220 /nfs/dbraw/zinc/93/52/20/1131935220.db2.gz COTTYODBICTFCQ-KRWDZBQOSA-N 1 2 328.460 3.583 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000743851034 1131985724 /nfs/dbraw/zinc/98/57/24/1131985724.db2.gz ZNWZVLWKCYXFKS-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000743851034 1131985728 /nfs/dbraw/zinc/98/57/28/1131985728.db2.gz ZNWZVLWKCYXFKS-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO CCC/C(C)=C/C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000743893464 1131999987 /nfs/dbraw/zinc/99/99/87/1131999987.db2.gz RECKJOSBLKRTOO-FYWRMAATSA-N 1 2 348.491 3.543 20 0 EHADLO COc1cccc2c1C[C@@H]([N@@H+]1CCc3c4ccccc4oc3C1)CO2 ZINC001173169238 1132001346 /nfs/dbraw/zinc/00/13/46/1132001346.db2.gz ZVIMGTQVDREQMG-CQSZACIVSA-N 1 2 335.403 3.803 20 0 EHADLO COc1cccc2c1C[C@@H]([N@H+]1CCc3c4ccccc4oc3C1)CO2 ZINC001173169238 1132001352 /nfs/dbraw/zinc/00/13/52/1132001352.db2.gz ZVIMGTQVDREQMG-CQSZACIVSA-N 1 2 335.403 3.803 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@@H+]2CCn3c(Br)cnc3C2)cc1 ZINC001173242278 1132029967 /nfs/dbraw/zinc/02/99/67/1132029967.db2.gz DXUQZTJNPVWACX-CYBMUJFWSA-N 1 2 348.288 3.655 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@H+]2CCn3c(Br)cnc3C2)cc1 ZINC001173242278 1132029973 /nfs/dbraw/zinc/02/99/73/1132029973.db2.gz DXUQZTJNPVWACX-CYBMUJFWSA-N 1 2 348.288 3.655 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348730 1132059102 /nfs/dbraw/zinc/05/91/02/1132059102.db2.gz LDEIHWJFVUWFOI-MRXNPFEDSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348730 1132059106 /nfs/dbraw/zinc/05/91/06/1132059106.db2.gz LDEIHWJFVUWFOI-MRXNPFEDSA-N 1 2 345.487 3.769 20 0 EHADLO CSc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173814254 1132143597 /nfs/dbraw/zinc/14/35/97/1132143597.db2.gz JFTMUBYXJIRECV-CHWSQXEVSA-N 1 2 344.484 3.864 20 0 EHADLO CCOc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001173848742 1132154441 /nfs/dbraw/zinc/15/44/41/1132154441.db2.gz CVIOZFJWLQWMOM-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO COc1cc(OC)c(Nc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC001173909004 1132171407 /nfs/dbraw/zinc/17/14/07/1132171407.db2.gz CWGLTXXAVUFOEX-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1OC ZINC001173886691 1132180806 /nfs/dbraw/zinc/18/08/06/1132180806.db2.gz MIAJALIARCTBHL-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO Cc1cc(F)ccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001173966347 1132187157 /nfs/dbraw/zinc/18/71/57/1132187157.db2.gz DRJLIOSLZGEWLY-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174063462 1132213297 /nfs/dbraw/zinc/21/32/97/1132213297.db2.gz ORHPBZWVCVFVEE-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)cc1F ZINC001174019490 1132215769 /nfs/dbraw/zinc/21/57/69/1132215769.db2.gz IPURDDVFXDZTME-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC001174081126 1132239278 /nfs/dbraw/zinc/23/92/78/1132239278.db2.gz WXXWQPMOERPCJK-UHFFFAOYSA-N 1 2 325.412 3.902 20 0 EHADLO C[C@@H]1C[C@H](C)CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182654940 1132264922 /nfs/dbraw/zinc/26/49/22/1132264922.db2.gz NRFNBUAKFAVQFG-ZIAGYGMSSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182654940 1132264928 /nfs/dbraw/zinc/26/49/28/1132264928.db2.gz NRFNBUAKFAVQFG-ZIAGYGMSSA-N 1 2 344.484 3.658 20 0 EHADLO CCCCNC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001174189131 1132274243 /nfs/dbraw/zinc/27/42/43/1132274243.db2.gz LLWCPFCFJVCXKF-UHFFFAOYSA-N 1 2 338.455 3.955 20 0 EHADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccoc1 ZINC000745983560 1132343100 /nfs/dbraw/zinc/34/31/00/1132343100.db2.gz XWRNIMYWUWVEGR-MRXNPFEDSA-N 1 2 341.455 3.729 20 0 EHADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccoc1 ZINC000745983560 1132343106 /nfs/dbraw/zinc/34/31/06/1132343106.db2.gz XWRNIMYWUWVEGR-MRXNPFEDSA-N 1 2 341.455 3.729 20 0 EHADLO COC(=O)/C=C/c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)nc1 ZINC001174380991 1132344128 /nfs/dbraw/zinc/34/41/28/1132344128.db2.gz DOVSQOHJSVIVMM-WEVVVXLNSA-N 1 2 336.395 3.942 20 0 EHADLO COC(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccc1O ZINC001174381953 1132344634 /nfs/dbraw/zinc/34/46/34/1132344634.db2.gz XTHMQCXTNOLMIR-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO Cc1nn(C[N@H+](CCc2ccccc2)C2CC2)c(=S)n1C1CC1 ZINC000746023304 1132350534 /nfs/dbraw/zinc/35/05/34/1132350534.db2.gz QBKUUNHPZLCMDJ-UHFFFAOYSA-N 1 2 328.485 3.722 20 0 EHADLO Cc1nn(C[N@@H+](CCc2ccccc2)C2CC2)c(=S)n1C1CC1 ZINC000746023304 1132350542 /nfs/dbraw/zinc/35/05/42/1132350542.db2.gz QBKUUNHPZLCMDJ-UHFFFAOYSA-N 1 2 328.485 3.722 20 0 EHADLO CC(C)c1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC001174432534 1132353737 /nfs/dbraw/zinc/35/37/37/1132353737.db2.gz QTLGZCPVQZJNBW-UHFFFAOYSA-N 1 2 341.455 3.660 20 0 EHADLO c1cnc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ccc2c1 ZINC001174432738 1132354413 /nfs/dbraw/zinc/35/44/13/1132354413.db2.gz YGQAPGMWBWDNHT-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO Cc1c(F)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC001174434836 1132354624 /nfs/dbraw/zinc/35/46/24/1132354624.db2.gz SIIKGTHKCUUKOK-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO O=C(NCc1ccco1)c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174411159 1132365841 /nfs/dbraw/zinc/36/58/41/1132365841.db2.gz MMKFBSNIDZKYHS-UHFFFAOYSA-N 1 2 332.363 3.781 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc(-c4cc[nH]n4)c3)c[nH+]2)C[C@H](C)O1 ZINC001174506546 1132392313 /nfs/dbraw/zinc/39/23/13/1132392313.db2.gz PTWSIRXJRDBVTM-GASCZTMLSA-N 1 2 349.438 3.829 20 0 EHADLO COC(Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1)OC ZINC001174525194 1132401258 /nfs/dbraw/zinc/40/12/58/1132401258.db2.gz ZFPYFQNSIJKQOX-UHFFFAOYSA-N 1 2 341.455 3.977 20 0 EHADLO NC(=O)c1ccc(Cl)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524173 1132401362 /nfs/dbraw/zinc/40/13/62/1132401362.db2.gz HKBIMRJTWJWJDW-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001174573135 1132402214 /nfs/dbraw/zinc/40/22/14/1132402214.db2.gz DLHXRHZAHNSDEI-XHSDSOJGSA-N 1 2 325.493 3.680 20 0 EHADLO c1nn([C@H]2CCCCO2)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174599821 1132425825 /nfs/dbraw/zinc/42/58/25/1132425825.db2.gz UZYMKWGYJANIFH-GOSISDBHSA-N 1 2 327.432 3.711 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCC1 ZINC000041333881 1132428208 /nfs/dbraw/zinc/42/82/08/1132428208.db2.gz OSCOXFRFXQEEQG-HKMNZKMDSA-N 1 2 326.484 3.670 20 0 EHADLO CCc1c(C)cc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc1C ZINC001174679211 1132433742 /nfs/dbraw/zinc/43/37/42/1132433742.db2.gz MDDADXKZFSZMQV-UHFFFAOYSA-N 1 2 326.444 3.544 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCCC(c1ccccc1)c1ccccc1 ZINC000188830599 1132439726 /nfs/dbraw/zinc/43/97/26/1132439726.db2.gz ORZMUDRZBHOHIS-UHFFFAOYSA-N 1 2 333.435 3.681 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCCC(c1ccccc1)c1ccccc1 ZINC000188830599 1132439730 /nfs/dbraw/zinc/43/97/30/1132439730.db2.gz ORZMUDRZBHOHIS-UHFFFAOYSA-N 1 2 333.435 3.681 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2cccc(F)c2C)[nH+]1 ZINC001174664981 1132443268 /nfs/dbraw/zinc/44/32/68/1132443268.db2.gz JOEFZDHVWRXZRR-VXGBXAGGSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1nc(Nc2cccc(F)c2C)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001174664981 1132443270 /nfs/dbraw/zinc/44/32/70/1132443270.db2.gz JOEFZDHVWRXZRR-VXGBXAGGSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1ccccc1CNc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000189392129 1132444702 /nfs/dbraw/zinc/44/47/02/1132444702.db2.gz IPAZXOPGYSGIKD-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO Cc1ccccc1CNc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000189392129 1132444707 /nfs/dbraw/zinc/44/47/07/1132444707.db2.gz IPAZXOPGYSGIKD-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)CCc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000193063382 1132478418 /nfs/dbraw/zinc/47/84/18/1132478418.db2.gz UZTOYJAQWPXDJZ-FQEVSTJZSA-N 1 2 325.456 3.808 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)CCc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000193063382 1132478422 /nfs/dbraw/zinc/47/84/22/1132478422.db2.gz UZTOYJAQWPXDJZ-FQEVSTJZSA-N 1 2 325.456 3.808 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000193287165 1132479869 /nfs/dbraw/zinc/47/98/69/1132479869.db2.gz HEDZIRSOTMBNJX-MRXNPFEDSA-N 1 2 325.437 3.504 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000193287165 1132479873 /nfs/dbraw/zinc/47/98/73/1132479873.db2.gz HEDZIRSOTMBNJX-MRXNPFEDSA-N 1 2 325.437 3.504 20 0 EHADLO Cn1c2ccccc2[nH+]c1NC=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001174844996 1132483623 /nfs/dbraw/zinc/48/36/23/1132483623.db2.gz QBNCJOHZNLTYAM-UHFFFAOYSA-N 1 2 342.443 3.900 20 0 EHADLO c1cncc(Oc2ccc(Nc3[nH+]cccc3N3CCOCC3)cc2)c1 ZINC001174848613 1132486666 /nfs/dbraw/zinc/48/66/66/1132486666.db2.gz FOXJBFCRAKUVLT-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(N(C)C)c1 ZINC001174965322 1132520149 /nfs/dbraw/zinc/52/01/49/1132520149.db2.gz WIOVVDCKVAWRDP-UHFFFAOYSA-N 1 2 337.427 3.648 20 0 EHADLO CCOc1cc(F)cc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001175005539 1132527945 /nfs/dbraw/zinc/52/79/45/1132527945.db2.gz BWSLERGKIKZYPG-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO Cc1ccc(OC[C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766404723 1132531727 /nfs/dbraw/zinc/53/17/27/1132531727.db2.gz UEKMWOCSXOOMJH-AWEZNQCLSA-N 1 2 339.443 3.769 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)CCOc2ccccc2OC)n1 ZINC000746450993 1132536544 /nfs/dbraw/zinc/53/65/44/1132536544.db2.gz PHQCFQXCCPGUPG-UHFFFAOYSA-N 1 2 331.460 3.764 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)CCOc2ccccc2OC)n1 ZINC000746450993 1132536549 /nfs/dbraw/zinc/53/65/49/1132536549.db2.gz PHQCFQXCCPGUPG-UHFFFAOYSA-N 1 2 331.460 3.764 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2cccc(F)c2)CC1)Nc1ccc(O)cc1 ZINC000746452973 1132537562 /nfs/dbraw/zinc/53/75/62/1132537562.db2.gz CZFIPDKRSVTHGP-UHFFFAOYSA-N 1 2 340.398 3.649 20 0 EHADLO CC(C)(C)[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000766430928 1132542468 /nfs/dbraw/zinc/54/24/68/1132542468.db2.gz QVNCETLNUAMZCJ-TZMCWYRMSA-N 1 2 331.464 3.587 20 0 EHADLO C[N@@H+]1CCN(CCSCc2ccccc2)[C@H](c2ccccc2)C1 ZINC001168931763 1132607182 /nfs/dbraw/zinc/60/71/82/1132607182.db2.gz JAUHQYJXKCEANS-FQEVSTJZSA-N 1 2 326.509 3.909 20 0 EHADLO C[N@H+]1CCN(CCSCc2ccccc2)[C@H](c2ccccc2)C1 ZINC001168931763 1132607187 /nfs/dbraw/zinc/60/71/87/1132607187.db2.gz JAUHQYJXKCEANS-FQEVSTJZSA-N 1 2 326.509 3.909 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CCc3nc(COC)ncc3C2)cc1 ZINC001175284689 1132612844 /nfs/dbraw/zinc/61/28/44/1132612844.db2.gz PJMIUPKBVSCCOB-UHFFFAOYSA-N 1 2 339.483 3.869 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CCc3nc(COC)ncc3C2)cc1 ZINC001175284689 1132612852 /nfs/dbraw/zinc/61/28/52/1132612852.db2.gz PJMIUPKBVSCCOB-UHFFFAOYSA-N 1 2 339.483 3.869 20 0 EHADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2OCc2ccccc2)cn1 ZINC001175301336 1132614639 /nfs/dbraw/zinc/61/46/39/1132614639.db2.gz RECGYKFNVHSRJS-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1cnc(C[N@H+](C)Cc2ccccc2OCc2ccccc2)cn1 ZINC001175301336 1132614644 /nfs/dbraw/zinc/61/46/44/1132614644.db2.gz RECGYKFNVHSRJS-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)c(F)cc2Br)c[nH+]1 ZINC001175341215 1132626142 /nfs/dbraw/zinc/62/61/42/1132626142.db2.gz FBVZDVSSOSYXJG-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)c(OC3CCOCC3)c(F)c2)c[nH+]1 ZINC001175344736 1132627335 /nfs/dbraw/zinc/62/73/35/1132627335.db2.gz YGOPMYMPZIDACS-UHFFFAOYSA-N 1 2 349.381 3.727 20 0 EHADLO CC(=O)c1ccc(Br)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175344334 1132627763 /nfs/dbraw/zinc/62/77/63/1132627763.db2.gz DZEJEYFKFCQWCE-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO COC(=O)c1cc(Cl)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351504 1132645315 /nfs/dbraw/zinc/64/53/15/1132645315.db2.gz OHWLSTBCEYYRLM-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO O=C1c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2CN1C1CC1 ZINC001175351945 1132645669 /nfs/dbraw/zinc/64/56/69/1132645669.db2.gz FKTIFJKLZQTXMO-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO COCCCOc1ccc(F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175353104 1132647050 /nfs/dbraw/zinc/64/70/50/1132647050.db2.gz ZQHRAWSKDRRBFF-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cn1ncc2cc(Nc3cc(Br)c4[nH+]ccn4c3)ccc21 ZINC001175419352 1132663309 /nfs/dbraw/zinc/66/33/09/1132663309.db2.gz FXLNNALLLLFSHS-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@]3(C)C3CCCCC3)[nH+]c12 ZINC001175482909 1132680325 /nfs/dbraw/zinc/68/03/25/1132680325.db2.gz NXBYMEOOCOGHEY-HXUWFJFHSA-N 1 2 325.456 3.757 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)cn1 ZINC001169259438 1132712174 /nfs/dbraw/zinc/71/21/74/1132712174.db2.gz KMTLCKSUPBLCCY-UHFFFAOYSA-N 1 2 337.467 3.908 20 0 EHADLO C[C@H](c1ccccc1Br)[N@@H+]1CCN(C)c2ncccc2C1 ZINC001175622465 1132715130 /nfs/dbraw/zinc/71/51/30/1132715130.db2.gz RDRZXLUXQOSRTG-CYBMUJFWSA-N 1 2 346.272 3.857 20 0 EHADLO C[C@H](c1ccccc1Br)[N@H+]1CCN(C)c2ncccc2C1 ZINC001175622465 1132715134 /nfs/dbraw/zinc/71/51/34/1132715134.db2.gz RDRZXLUXQOSRTG-CYBMUJFWSA-N 1 2 346.272 3.857 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4[nH]nc(C)c4c3)c2c1 ZINC001175698666 1132729309 /nfs/dbraw/zinc/72/93/09/1132729309.db2.gz FFYTZFVFCUWBRH-UHFFFAOYSA-N 1 2 346.390 3.762 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4n[nH]c(C)c4c3)c2c1 ZINC001175698666 1132729312 /nfs/dbraw/zinc/72/93/12/1132729312.db2.gz FFYTZFVFCUWBRH-UHFFFAOYSA-N 1 2 346.390 3.762 20 0 EHADLO Nc1cc(Br)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715404 1132742027 /nfs/dbraw/zinc/74/20/27/1132742027.db2.gz LFFZLARLCMGBQG-UHFFFAOYSA-N 1 2 347.138 3.771 20 0 EHADLO OCC[C@H](Nc1[nH+]cnc2[nH]cc(F)c21)c1cccc2ccccc21 ZINC001169418601 1132748756 /nfs/dbraw/zinc/74/87/56/1132748756.db2.gz KDBRLZFUHUJNCF-INIZCTEOSA-N 1 2 336.370 3.786 20 0 EHADLO Cc1cc(Br)ncc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706286 1132753364 /nfs/dbraw/zinc/75/33/64/1132753364.db2.gz NQIGWDQNCKTSPM-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cncc(Br)c2)c[nH+]1 ZINC001175709815 1132755250 /nfs/dbraw/zinc/75/52/50/1132755250.db2.gz LNXYNYBPZPMEBA-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccnn2Cc2ccccc2)c[nH+]1 ZINC001175710088 1132755417 /nfs/dbraw/zinc/75/54/17/1132755417.db2.gz SKFLDCHWZPTSNX-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnc(Br)s2)c[nH+]1 ZINC001175710845 1132755468 /nfs/dbraw/zinc/75/54/68/1132755468.db2.gz LLRRHAJWUODVBP-UHFFFAOYSA-N 1 2 339.140 3.645 20 0 EHADLO Brc1cc(Nc2cnn(C3CCC3)c2)c2[nH+]ccn2c1 ZINC001175755893 1132758284 /nfs/dbraw/zinc/75/82/84/1132758284.db2.gz FPBOHWXOCOTYDZ-UHFFFAOYSA-N 1 2 332.205 3.762 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC001169451749 1132758980 /nfs/dbraw/zinc/75/89/80/1132758980.db2.gz KZFVFSDMVRNMQN-GOSISDBHSA-N 1 2 343.492 3.963 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC001169451749 1132758988 /nfs/dbraw/zinc/75/89/88/1132758988.db2.gz KZFVFSDMVRNMQN-GOSISDBHSA-N 1 2 343.492 3.963 20 0 EHADLO CN1CC[NH+](Cc2ccccc2Nc2ccc(Cl)c(O)c2)CC1 ZINC001212592250 1132799637 /nfs/dbraw/zinc/79/96/37/1132799637.db2.gz GOPIBLPYRKTUSJ-UHFFFAOYSA-N 1 2 331.847 3.537 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001169687874 1132819901 /nfs/dbraw/zinc/81/99/01/1132819901.db2.gz YJIRPLMKRFDGBX-GFCCVEGCSA-N 1 2 325.437 3.908 20 0 EHADLO CCOc1ccccc1OCCNc1cccc(-c2c[nH+]cn2C)c1 ZINC001169794712 1132860751 /nfs/dbraw/zinc/86/07/51/1132860751.db2.gz PPIHQKOVEAWHDZ-UHFFFAOYSA-N 1 2 337.423 3.977 20 0 EHADLO COCOc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1F ZINC001176189739 1132860799 /nfs/dbraw/zinc/86/07/99/1132860799.db2.gz XQFHUCIBYIYHSX-UHFFFAOYSA-N 1 2 331.391 3.937 20 0 EHADLO CCCc1cc(NCc2cccnc2N2CCCC2)nc(CCC)[nH+]1 ZINC001169855330 1132876279 /nfs/dbraw/zinc/87/62/79/1132876279.db2.gz DJDUENQYGVLXAJ-UHFFFAOYSA-N 1 2 339.487 3.989 20 0 EHADLO Cc1nc(Nc2cccc(Cl)c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176221548 1132877764 /nfs/dbraw/zinc/87/77/64/1132877764.db2.gz DPIVLQHUXJPZRD-RYUDHWBXSA-N 1 2 332.835 3.796 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC001176221548 1132877773 /nfs/dbraw/zinc/87/77/73/1132877773.db2.gz DPIVLQHUXJPZRD-RYUDHWBXSA-N 1 2 332.835 3.796 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1N(C)C ZINC000103457647 1132899084 /nfs/dbraw/zinc/89/90/84/1132899084.db2.gz DBCQGPBOAPCEOL-INIZCTEOSA-N 1 2 345.516 3.856 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1N(C)C ZINC000103457647 1132899095 /nfs/dbraw/zinc/89/90/95/1132899095.db2.gz DBCQGPBOAPCEOL-INIZCTEOSA-N 1 2 345.516 3.856 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3ccc(Oc4ccccc4)nc3)c[nH+]2)C1 ZINC001176375757 1132925149 /nfs/dbraw/zinc/92/51/49/1132925149.db2.gz IQRRNTAQDMATQU-KRWDZBQOSA-N 1 2 348.406 3.584 20 0 EHADLO CCN(C)C(=O)c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001176466857 1132942322 /nfs/dbraw/zinc/94/23/22/1132942322.db2.gz RFSFNHDWQAKOLF-UHFFFAOYSA-N 1 2 334.423 3.767 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3ccc(S(C)(=O)=O)c(F)c3)ccc12 ZINC001176742543 1132991217 /nfs/dbraw/zinc/99/12/17/1132991217.db2.gz MLYWKUPXBHIKBQ-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO CCOC(=O)c1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001176749586 1132992266 /nfs/dbraw/zinc/99/22/66/1132992266.db2.gz HLAPNWKGGJQDQY-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](CCSCc2ccccc2)[C@@H]2C[C@@H]21 ZINC001176752472 1132998913 /nfs/dbraw/zinc/99/89/13/1132998913.db2.gz DUVPOQGQDIUGQH-SJORKVTESA-N 1 2 348.512 3.613 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCSCc2ccccc2)[C@@H]2C[C@@H]21 ZINC001176752472 1132998915 /nfs/dbraw/zinc/99/89/15/1132998915.db2.gz DUVPOQGQDIUGQH-SJORKVTESA-N 1 2 348.512 3.613 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)NCc1ccccc1Oc1ccc(Cl)cc1 ZINC001176836430 1133004056 /nfs/dbraw/zinc/00/40/56/1133004056.db2.gz IQCFMONDNMPTTO-UHFFFAOYSA-N 1 2 341.798 3.714 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177012336 1133022269 /nfs/dbraw/zinc/02/22/69/1133022269.db2.gz AXKCTSSQVLQFBG-BFSLETRISA-N 1 2 338.426 3.792 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccc(C)cc2)nc1=S ZINC000767771879 1133051427 /nfs/dbraw/zinc/05/14/27/1133051427.db2.gz UBTAAAKIVVTDCW-CQSZACIVSA-N 1 2 334.514 3.701 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1[nH]c(-c2ccc(C)cc2)nc1=S ZINC000767771879 1133051433 /nfs/dbraw/zinc/05/14/33/1133051433.db2.gz UBTAAAKIVVTDCW-CQSZACIVSA-N 1 2 334.514 3.701 20 0 EHADLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)CC3CCCCC3)CC[NH2+]2)c1 ZINC001169975573 1133054620 /nfs/dbraw/zinc/05/46/20/1133054620.db2.gz PVTDPSMDJOYYHJ-UZLBHIALSA-N 1 2 344.499 3.775 20 0 EHADLO COC(=O)Nc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001177399836 1133062565 /nfs/dbraw/zinc/06/25/65/1133062565.db2.gz NEQPFGMZSVWVTL-UHFFFAOYSA-N 1 2 328.397 3.724 20 0 EHADLO CN(CC(=O)NCc1cccc(-c2cccs2)c1)c1cccc[nH+]1 ZINC001177416820 1133063155 /nfs/dbraw/zinc/06/31/55/1133063155.db2.gz IHEZTNBIZSSJTH-UHFFFAOYSA-N 1 2 337.448 3.563 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000767964180 1133078455 /nfs/dbraw/zinc/07/84/55/1133078455.db2.gz FDZZBBCVESVVBC-QAPCUYQASA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000767964180 1133078458 /nfs/dbraw/zinc/07/84/58/1133078458.db2.gz FDZZBBCVESVVBC-QAPCUYQASA-N 1 2 334.847 3.610 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccs1 ZINC001177540284 1133078703 /nfs/dbraw/zinc/07/87/03/1133078703.db2.gz PAYFFXNEALXMCM-DLBZAZTESA-N 1 2 337.448 3.696 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(F)c2F)CCCN1C(=O)OC(C)(C)C ZINC001204202551 1133096291 /nfs/dbraw/zinc/09/62/91/1133096291.db2.gz LOOFRAVFRJGKKP-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CCCN1C(=O)OC(C)(C)C ZINC001204202551 1133096297 /nfs/dbraw/zinc/09/62/97/1133096297.db2.gz LOOFRAVFRJGKKP-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO CC/C(=C/C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000768138071 1133101554 /nfs/dbraw/zinc/10/15/54/1133101554.db2.gz JGWWJTUVPXMMDN-RBAUTDOXSA-N 1 2 337.467 3.928 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2)n1cc[nH+]c1 ZINC001177925975 1133113626 /nfs/dbraw/zinc/11/36/26/1133113626.db2.gz BMVXCQYRPUBJCE-LLVKDONJSA-N 1 2 339.345 3.932 20 0 EHADLO Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177997044 1133122305 /nfs/dbraw/zinc/12/23/05/1133122305.db2.gz WLTJBRPVBLXQKQ-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1sccc1-c1ccc(F)cc1 ZINC000768322590 1133125069 /nfs/dbraw/zinc/12/50/69/1133125069.db2.gz AIBIIHSQVUOGHA-UHFFFAOYSA-N 1 2 343.427 3.913 20 0 EHADLO c1csc(CCN2CC[NH+](Cc3cncc4ccccc43)CC2)c1 ZINC000768358441 1133129296 /nfs/dbraw/zinc/12/92/96/1133129296.db2.gz VGQQPUMSAQTPHQ-UHFFFAOYSA-N 1 2 337.492 3.657 20 0 EHADLO CCCCOc1c(F)c(F)ccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118135 1133132262 /nfs/dbraw/zinc/13/22/62/1133132262.db2.gz QMHFHOANTODPIH-LBPRGKRZSA-N 1 2 349.381 3.541 20 0 EHADLO COCCOc1ccccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC001178114751 1133132661 /nfs/dbraw/zinc/13/26/61/1133132661.db2.gz RMRQODZYCCHHCG-UHFFFAOYSA-N 1 2 329.425 3.571 20 0 EHADLO CCc1[nH]c(CNC(=O)C2(c3cccc(Cl)c3)CC(C)C2)c[nH+]1 ZINC001178669577 1133188994 /nfs/dbraw/zinc/18/89/94/1133188994.db2.gz JZKUIZZEYVEMSR-UHFFFAOYSA-N 1 2 331.847 3.610 20 0 EHADLO CCc1[nH]cc(CNC(=O)C2(c3cccc(Cl)c3)CC(C)C2)[nH+]1 ZINC001178669577 1133188996 /nfs/dbraw/zinc/18/89/96/1133188996.db2.gz JZKUIZZEYVEMSR-UHFFFAOYSA-N 1 2 331.847 3.610 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)C=Cc1cc2ccccc2o1 ZINC001178760836 1133197319 /nfs/dbraw/zinc/19/73/19/1133197319.db2.gz ZZZLPMFMPXAWQT-VOTSOKGWSA-N 1 2 341.436 3.527 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000768905815 1133201363 /nfs/dbraw/zinc/20/13/63/1133201363.db2.gz CEZMBFCBYZJLFB-KRWDZBQOSA-N 1 2 348.437 3.906 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)CC1=Cc2ccccc2OC1 ZINC000768919917 1133204363 /nfs/dbraw/zinc/20/43/63/1133204363.db2.gz ZXVCRAROJGMBRW-UHFFFAOYSA-N 1 2 331.419 3.780 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1=Cc2ccccc2OC1 ZINC000768919917 1133204367 /nfs/dbraw/zinc/20/43/67/1133204367.db2.gz ZXVCRAROJGMBRW-UHFFFAOYSA-N 1 2 331.419 3.780 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000069221767 1133250777 /nfs/dbraw/zinc/25/07/77/1133250777.db2.gz WZSXPJAWNZPXIM-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000069221767 1133250784 /nfs/dbraw/zinc/25/07/84/1133250784.db2.gz WZSXPJAWNZPXIM-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2cncc3ccccc32)CC1 ZINC000769316708 1133260475 /nfs/dbraw/zinc/26/04/75/1133260475.db2.gz NTYPTAFBAZLSGP-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO COc1cccc(N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)c1 ZINC000069626330 1133270524 /nfs/dbraw/zinc/27/05/24/1133270524.db2.gz JFXQGFFABNMPNJ-UHFFFAOYSA-N 1 2 333.435 3.878 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000769380348 1133273277 /nfs/dbraw/zinc/27/32/77/1133273277.db2.gz UQRZIRMFWSIKER-JTQLQIEISA-N 1 2 328.218 3.856 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000769380348 1133273280 /nfs/dbraw/zinc/27/32/80/1133273280.db2.gz UQRZIRMFWSIKER-JTQLQIEISA-N 1 2 328.218 3.856 20 0 EHADLO CCc1ncc(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC000769388286 1133275501 /nfs/dbraw/zinc/27/55/01/1133275501.db2.gz KQJZSTCVUMZGHC-STQMWFEESA-N 1 2 339.505 3.535 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cnc1Cl ZINC000769485318 1133290686 /nfs/dbraw/zinc/29/06/86/1133290686.db2.gz NELMTTUUGBPIOY-IBGZPJMESA-N 1 2 328.843 3.717 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cnc1Cl ZINC000769485318 1133290689 /nfs/dbraw/zinc/29/06/89/1133290689.db2.gz NELMTTUUGBPIOY-IBGZPJMESA-N 1 2 328.843 3.717 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000769565519 1133316437 /nfs/dbraw/zinc/31/64/37/1133316437.db2.gz PRTSQXRHQBKLBJ-QGZVFWFLSA-N 1 2 337.778 3.687 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000769565519 1133316442 /nfs/dbraw/zinc/31/64/42/1133316442.db2.gz PRTSQXRHQBKLBJ-QGZVFWFLSA-N 1 2 337.778 3.687 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000769768934 1133339312 /nfs/dbraw/zinc/33/93/12/1133339312.db2.gz BXQYQUVMCNIXFL-LBPRGKRZSA-N 1 2 342.830 3.575 20 0 EHADLO CCc1cccc(F)c1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC001180244542 1133350693 /nfs/dbraw/zinc/35/06/93/1133350693.db2.gz FQRFDVBAVZTOSF-UHFFFAOYSA-N 1 2 347.478 3.548 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)[nH]2)cc1 ZINC000769988044 1133374268 /nfs/dbraw/zinc/37/42/68/1133374268.db2.gz PDTNINUPLRSUJZ-IXDOHACOSA-N 1 2 340.471 3.832 20 0 EHADLO CCNc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC001204270376 1133378453 /nfs/dbraw/zinc/37/84/53/1133378453.db2.gz MNDPZNBALAUNNF-UHFFFAOYSA-N 1 2 331.847 3.842 20 0 EHADLO CCNc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC001204270376 1133378459 /nfs/dbraw/zinc/37/84/59/1133378459.db2.gz MNDPZNBALAUNNF-UHFFFAOYSA-N 1 2 331.847 3.842 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000770027377 1133379418 /nfs/dbraw/zinc/37/94/18/1133379418.db2.gz OLEYNTGXMRFAJG-LBPRGKRZSA-N 1 2 325.243 3.502 20 0 EHADLO O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc2[nH+]ccn21 ZINC000770066694 1133387981 /nfs/dbraw/zinc/38/79/81/1133387981.db2.gz POOFXGRNRAAOQE-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(O)c(F)c1F ZINC001181055836 1133444612 /nfs/dbraw/zinc/44/46/12/1133444612.db2.gz MVUKQDWJRNSLOV-UHFFFAOYSA-N 1 2 331.366 3.582 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1(c2cccc(Cl)c2)CC1 ZINC000770734919 1133467732 /nfs/dbraw/zinc/46/77/32/1133467732.db2.gz XOBREFZPWMMEAT-UHFFFAOYSA-N 1 2 326.783 3.763 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC001181242685 1133468011 /nfs/dbraw/zinc/46/80/11/1133468011.db2.gz CCLWJHSKZCCOHJ-DGCLKSJQSA-N 1 2 334.416 3.619 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC001181242685 1133468017 /nfs/dbraw/zinc/46/80/17/1133468017.db2.gz CCLWJHSKZCCOHJ-DGCLKSJQSA-N 1 2 334.416 3.619 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181263428 1133474245 /nfs/dbraw/zinc/47/42/45/1133474245.db2.gz MIDJVPHDRHOIPL-UHFFFAOYSA-N 1 2 349.390 3.646 20 0 EHADLO COc1ccc(C[NH+]2CC(OC)(c3ccccc3)C2)cc1OC1CC1 ZINC001181543269 1133498769 /nfs/dbraw/zinc/49/87/69/1133498769.db2.gz BCYVFCQUPVUGQN-UHFFFAOYSA-N 1 2 339.435 3.594 20 0 EHADLO Fc1cc(C[NH2+]Cc2cc(F)c(F)cc2Br)c(F)cn1 ZINC001181598846 1133503022 /nfs/dbraw/zinc/50/30/22/1133503022.db2.gz HNOMJUPTJDPENO-UHFFFAOYSA-N 1 2 349.125 3.690 20 0 EHADLO Clc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c2ccccc2n1 ZINC000771309926 1133537414 /nfs/dbraw/zinc/53/74/14/1133537414.db2.gz KPGRMCPNBYIJQW-ZDUSSCGKSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c2ccccc2n1 ZINC000771309926 1133537419 /nfs/dbraw/zinc/53/74/19/1133537419.db2.gz KPGRMCPNBYIJQW-ZDUSSCGKSA-N 1 2 326.831 3.991 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181827300 1133537472 /nfs/dbraw/zinc/53/74/72/1133537472.db2.gz QXSMDFGANGVQFD-FQEVSTJZSA-N 1 2 342.442 3.957 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2sccc21 ZINC000771306676 1133537711 /nfs/dbraw/zinc/53/77/11/1133537711.db2.gz QEEGRDLMEBTLIH-KRWDZBQOSA-N 1 2 337.448 3.670 20 0 EHADLO Cc1cccc(C2=CC[N@H+](CN3Cc4ccc(F)cc4C3=O)CC2)c1 ZINC000771626116 1133578746 /nfs/dbraw/zinc/57/87/46/1133578746.db2.gz JXGOGNXKLRTJAJ-UHFFFAOYSA-N 1 2 336.410 3.837 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](CN3Cc4ccc(F)cc4C3=O)CC2)c1 ZINC000771626116 1133578751 /nfs/dbraw/zinc/57/87/51/1133578751.db2.gz JXGOGNXKLRTJAJ-UHFFFAOYSA-N 1 2 336.410 3.837 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cnc(C)c(C)n1)c1ccccc1Cl ZINC001182218463 1133598332 /nfs/dbraw/zinc/59/83/32/1133598332.db2.gz KUMFXTNRLOZZCF-QGZVFWFLSA-N 1 2 346.862 3.768 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NCc1ccncc1F)c1ccccc1Cl ZINC001182223363 1133598921 /nfs/dbraw/zinc/59/89/21/1133598921.db2.gz JBVNINYYVJQUQY-KRWDZBQOSA-N 1 2 349.837 3.573 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F)c1ccccc1Cl ZINC001182226547 1133599998 /nfs/dbraw/zinc/59/99/98/1133599998.db2.gz SASLYJSIJOCCOJ-CLROSIBMSA-N 1 2 338.854 3.682 20 0 EHADLO Cc1[nH+]c(N)ccc1CNC(F)(F)c1ccnc(Cl)c1Cl ZINC001156974302 1133600169 /nfs/dbraw/zinc/60/01/69/1133600169.db2.gz GWIQJZYBZNLWOU-UHFFFAOYSA-N 1 2 333.169 3.513 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000771862961 1133602546 /nfs/dbraw/zinc/60/25/46/1133602546.db2.gz YNLAWRVOPKUOLE-SFHVURJKSA-N 1 2 338.432 3.960 20 0 EHADLO Cc1cc2occ(CC(=O)OCCn3cc[nH+]c3)c2cc1C(C)C ZINC000771871606 1133604009 /nfs/dbraw/zinc/60/40/09/1133604009.db2.gz GHGKBOBQWHAKSW-UHFFFAOYSA-N 1 2 326.396 3.847 20 0 EHADLO COc1sc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br ZINC001182238435 1133604343 /nfs/dbraw/zinc/60/43/43/1133604343.db2.gz NYDDIMOJGXFKCS-BDAKNGLRSA-N 1 2 338.217 3.606 20 0 EHADLO COc1sc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br ZINC001182238435 1133604347 /nfs/dbraw/zinc/60/43/47/1133604347.db2.gz NYDDIMOJGXFKCS-BDAKNGLRSA-N 1 2 338.217 3.606 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000771889775 1133611803 /nfs/dbraw/zinc/61/18/03/1133611803.db2.gz DJIAZDWIOKHLDN-FYWRMAATSA-N 1 2 344.503 3.549 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)OCCn1cc[nH+]c1 ZINC000771938793 1133617276 /nfs/dbraw/zinc/61/72/76/1133617276.db2.gz JDSQVEBBLWVKKU-UHFFFAOYSA-N 1 2 341.436 3.789 20 0 EHADLO O=C(CC(Cc1ccccc1)Cc1ccccc1)OCCn1cc[nH+]c1 ZINC000772002891 1133627532 /nfs/dbraw/zinc/62/75/32/1133627532.db2.gz RZWMOTGQKYZEBW-UHFFFAOYSA-N 1 2 348.446 3.918 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000772179999 1133648819 /nfs/dbraw/zinc/64/88/19/1133648819.db2.gz XSZVGHRANBHVCL-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000772179999 1133648825 /nfs/dbraw/zinc/64/88/25/1133648825.db2.gz XSZVGHRANBHVCL-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489379 1133694694 /nfs/dbraw/zinc/69/46/94/1133694694.db2.gz LCXQTQRWNAAIOT-RHSMWYFYSA-N 1 2 335.492 3.544 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489379 1133694695 /nfs/dbraw/zinc/69/46/95/1133694695.db2.gz LCXQTQRWNAAIOT-RHSMWYFYSA-N 1 2 335.492 3.544 20 0 EHADLO CC[C@H](C)C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC001182575086 1133701908 /nfs/dbraw/zinc/70/19/08/1133701908.db2.gz WNUISGLOKOWDHA-KBDGPNFWSA-N 1 2 325.399 3.778 20 0 EHADLO C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1 ZINC001182595551 1133706570 /nfs/dbraw/zinc/70/65/70/1133706570.db2.gz TVWVTQMPJSTABF-BPQIPLTHSA-N 1 2 332.488 3.893 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]C1CCC(C)(C)CC1 ZINC001182595299 1133706645 /nfs/dbraw/zinc/70/66/45/1133706645.db2.gz RPJXPFCVASMUPQ-KRWDZBQOSA-N 1 2 332.488 3.893 20 0 EHADLO C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183018498 1133761446 /nfs/dbraw/zinc/76/14/46/1133761446.db2.gz NHLLHWWWVLOSAP-ZDUSSCGKSA-N 1 2 348.381 3.984 20 0 EHADLO FC1(F)Oc2cccc(C[NH2+]Cc3cncc(Cl)c3Cl)c2O1 ZINC001183074195 1133762125 /nfs/dbraw/zinc/76/21/25/1133762125.db2.gz CMEAZBJDKPZDHE-UHFFFAOYSA-N 1 2 347.148 4.000 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC001183312545 1133791761 /nfs/dbraw/zinc/79/17/61/1133791761.db2.gz LJJNMPAQOZHYNX-LJQANCHMSA-N 1 2 329.415 3.923 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC001183312545 1133791766 /nfs/dbraw/zinc/79/17/66/1133791766.db2.gz LJJNMPAQOZHYNX-LJQANCHMSA-N 1 2 329.415 3.923 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)on1 ZINC001183410607 1133801202 /nfs/dbraw/zinc/80/12/02/1133801202.db2.gz UOYOWDVBVPUFCI-UHFFFAOYSA-N 1 2 344.342 3.540 20 0 EHADLO C[C@H](C(=O)NCCOc1cc[nH+]cc1)c1ccc(F)c2ccccc21 ZINC001183506513 1133819254 /nfs/dbraw/zinc/81/92/54/1133819254.db2.gz ZSFARNXSFPHOKP-AWEZNQCLSA-N 1 2 338.382 3.673 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758824 1133847824 /nfs/dbraw/zinc/84/78/24/1133847824.db2.gz XJBCMFNFVFXDRV-PMACEKPBSA-N 1 2 340.442 3.914 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758824 1133847833 /nfs/dbraw/zinc/84/78/33/1133847833.db2.gz XJBCMFNFVFXDRV-PMACEKPBSA-N 1 2 340.442 3.914 20 0 EHADLO Cc1cc(C)c2cc(NCc3ccc(S(C)(=O)=O)s3)ccc2[nH+]1 ZINC001183823079 1133866150 /nfs/dbraw/zinc/86/61/50/1133866150.db2.gz PLOLKTSXWZMPRY-UHFFFAOYSA-N 1 2 346.477 3.929 20 0 EHADLO CSCc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000746594543 1133881322 /nfs/dbraw/zinc/88/13/22/1133881322.db2.gz PLECXSUNHTVYOR-MRXNPFEDSA-N 1 2 349.475 3.730 20 0 EHADLO CCOc1cc2c(cc1OCC)CN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC000153300974 1133885236 /nfs/dbraw/zinc/88/52/36/1133885236.db2.gz GBBIDZSGBLVYNH-UHFFFAOYSA-N 1 2 347.846 3.677 20 0 EHADLO O=C(Nc1cccc(COc2ccccc2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000786807306 1133909555 /nfs/dbraw/zinc/90/95/55/1133909555.db2.gz OABFPEAQEYBPKF-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO COC[C@H](C)CNc1[nH+]c2ccccc2n1Cc1cccc(OC)c1 ZINC001184462795 1133943754 /nfs/dbraw/zinc/94/37/54/1133943754.db2.gz QBVXHGUGZQNECX-OAHLLOKOSA-N 1 2 339.439 3.788 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001184504482 1133953340 /nfs/dbraw/zinc/95/33/40/1133953340.db2.gz HLBGJJMYZDPJOH-ZIAGYGMSSA-N 1 2 342.443 3.603 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+](C)CCC3CC3)c(=S)o2)cc1 ZINC000746637164 1133953808 /nfs/dbraw/zinc/95/38/08/1133953808.db2.gz NVKBZMMLPGJSIU-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+](C)CCC3CC3)c(=S)o2)cc1 ZINC000746637164 1133953810 /nfs/dbraw/zinc/95/38/10/1133953810.db2.gz NVKBZMMLPGJSIU-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000073372877 1133957160 /nfs/dbraw/zinc/95/71/60/1133957160.db2.gz GHXBBVQGCSCEAA-OCCSQVGLSA-N 1 2 339.361 3.600 20 0 EHADLO COc1ccc(C)cc1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001184650517 1133972226 /nfs/dbraw/zinc/97/22/26/1133972226.db2.gz FYIFOXSCBBCANW-UHFFFAOYSA-N 1 2 332.407 3.854 20 0 EHADLO CCOCCOCC[N@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000787237618 1133982780 /nfs/dbraw/zinc/98/27/80/1133982780.db2.gz UTRGXVHSXJYESV-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO CCOCCOCC[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000787237618 1133982783 /nfs/dbraw/zinc/98/27/83/1133982783.db2.gz UTRGXVHSXJYESV-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO COc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1-c1ccccc1 ZINC000153804058 1133996361 /nfs/dbraw/zinc/99/63/61/1133996361.db2.gz DASRTMZFVWSGNR-MRXNPFEDSA-N 1 2 349.434 3.625 20 0 EHADLO CCc1cc(NCc2ccnc(OCC(F)(F)F)c2)nc(CC)[nH+]1 ZINC001184856418 1133999279 /nfs/dbraw/zinc/99/92/79/1133999279.db2.gz JBKMPOKDTAYVBZ-UHFFFAOYSA-N 1 2 340.349 3.550 20 0 EHADLO Nc1cc(COC(=O)c2ccc(COc3ccccc3)cc2)cc[nH+]1 ZINC000787564514 1134018174 /nfs/dbraw/zinc/01/81/74/1134018174.db2.gz QPVZGRZODLMRAH-UHFFFAOYSA-N 1 2 334.375 3.600 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2COc2ccccc2)cc[nH+]1 ZINC000787584907 1134019496 /nfs/dbraw/zinc/01/94/96/1134019496.db2.gz LUIFOEKMKCXFPP-UHFFFAOYSA-N 1 2 334.375 3.600 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC001185275540 1134060482 /nfs/dbraw/zinc/06/04/82/1134060482.db2.gz OYUAZUPMXHNAPO-UHFFFAOYSA-N 1 2 342.418 3.567 20 0 EHADLO CCc1cc(N2CCO[C@H](c3ccccc3Cl)C2)nc(CC)[nH+]1 ZINC001185312763 1134067955 /nfs/dbraw/zinc/06/79/55/1134067955.db2.gz HCVYCJVMKPTESX-INIZCTEOSA-N 1 2 331.847 3.833 20 0 EHADLO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1c(F)cccc1F ZINC000774864060 1134081900 /nfs/dbraw/zinc/08/19/00/1134081900.db2.gz MDPWTWWTRWMEFI-JTQLQIEISA-N 1 2 331.318 3.628 20 0 EHADLO O=C(CCc1ccco1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240976 1134099605 /nfs/dbraw/zinc/09/96/05/1134099605.db2.gz GLIGTGBHLTWGEE-OAHLLOKOSA-N 1 2 341.455 3.657 20 0 EHADLO O=C(CCc1ccco1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240976 1134099610 /nfs/dbraw/zinc/09/96/10/1134099610.db2.gz GLIGTGBHLTWGEE-OAHLLOKOSA-N 1 2 341.455 3.657 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccccc1F ZINC000788244111 1134099665 /nfs/dbraw/zinc/09/96/65/1134099665.db2.gz NQMOAZHIMNDUKS-CQSZACIVSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccccc1F ZINC000788244111 1134099670 /nfs/dbraw/zinc/09/96/70/1134099670.db2.gz NQMOAZHIMNDUKS-CQSZACIVSA-N 1 2 341.430 3.884 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000774914888 1134123020 /nfs/dbraw/zinc/12/30/20/1134123020.db2.gz XMHDDSQEHIRGIQ-ICSRJNTNSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000774914888 1134123023 /nfs/dbraw/zinc/12/30/23/1134123023.db2.gz XMHDDSQEHIRGIQ-ICSRJNTNSA-N 1 2 345.870 3.973 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001185754600 1134133858 /nfs/dbraw/zinc/13/38/58/1134133858.db2.gz URRLGPPFJWPATG-NRFANRHFSA-N 1 2 347.462 3.622 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001185754600 1134133862 /nfs/dbraw/zinc/13/38/62/1134133862.db2.gz URRLGPPFJWPATG-NRFANRHFSA-N 1 2 347.462 3.622 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000746755810 1134155009 /nfs/dbraw/zinc/15/50/09/1134155009.db2.gz KNOANIMEJSXNDS-AWEZNQCLSA-N 1 2 342.468 3.616 20 0 EHADLO CCOC(=O)N1CCC[C@H]([C@@H](C)Nc2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001186185517 1134178951 /nfs/dbraw/zinc/17/89/51/1134178951.db2.gz XZDLPNWXUFONON-ZBFHGGJFSA-N 1 2 346.475 3.721 20 0 EHADLO CCc1cnc(C[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000788973240 1134197999 /nfs/dbraw/zinc/19/79/99/1134197999.db2.gz PQECWULWGRGFML-INIZCTEOSA-N 1 2 343.496 3.526 20 0 EHADLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)OC(C)(C)C ZINC001170095115 1134199629 /nfs/dbraw/zinc/19/96/29/1134199629.db2.gz OHIRVNSJLHVTFV-LBPRGKRZSA-N 1 2 331.378 3.910 20 0 EHADLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)OC(C)(C)C ZINC001170095115 1134199631 /nfs/dbraw/zinc/19/96/31/1134199631.db2.gz OHIRVNSJLHVTFV-LBPRGKRZSA-N 1 2 331.378 3.910 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CCC1)N[C@H]1CCCc2ccccc21 ZINC001186484267 1134220560 /nfs/dbraw/zinc/22/05/60/1134220560.db2.gz IDINUOJQURCXCU-IBGZPJMESA-N 1 2 338.455 3.560 20 0 EHADLO C[C@H](C(=O)OCCCCOC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000789053971 1134221769 /nfs/dbraw/zinc/22/17/69/1134221769.db2.gz JLPCXMKNJRDELO-MRXNPFEDSA-N 1 2 333.472 3.572 20 0 EHADLO C[C@H](C(=O)OCCCCOC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000789053971 1134221774 /nfs/dbraw/zinc/22/17/74/1134221774.db2.gz JLPCXMKNJRDELO-MRXNPFEDSA-N 1 2 333.472 3.572 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525671 1134290843 /nfs/dbraw/zinc/29/08/43/1134290843.db2.gz LPUFWJSFECKIMJ-QGZVFWFLSA-N 1 2 346.833 3.712 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525671 1134290846 /nfs/dbraw/zinc/29/08/46/1134290846.db2.gz LPUFWJSFECKIMJ-QGZVFWFLSA-N 1 2 346.833 3.712 20 0 EHADLO Cc1nc(NCC2(Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC001187063704 1134291577 /nfs/dbraw/zinc/29/15/77/1134291577.db2.gz MFAUQOKJCRTQNM-UHFFFAOYSA-N 1 2 332.245 3.982 20 0 EHADLO CCN(CCn1cc[nH+]c1)c1ccc(-c2ccc(Cl)cc2)nn1 ZINC001157460623 1134313342 /nfs/dbraw/zinc/31/33/42/1134313342.db2.gz YLBGXFWIIOPXIL-UHFFFAOYSA-N 1 2 327.819 3.520 20 0 EHADLO CC1(C)C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC001187739666 1134378891 /nfs/dbraw/zinc/37/88/91/1134378891.db2.gz DZRCKNLDXKTGSB-ZDUSSCGKSA-N 1 2 339.468 3.902 20 0 EHADLO Cc1nc(N(C)Cc2cc(-c3ccccc3)n[nH]2)c2c([nH+]1)CCCC2 ZINC001187851297 1134389803 /nfs/dbraw/zinc/38/98/03/1134389803.db2.gz AHFRYIRGMNXWIS-UHFFFAOYSA-N 1 2 333.439 3.690 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000075681086 1134389870 /nfs/dbraw/zinc/38/98/70/1134389870.db2.gz VZMULGOAMFMMRH-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000075681086 1134389875 /nfs/dbraw/zinc/38/98/75/1134389875.db2.gz VZMULGOAMFMMRH-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO COc1c(Cl)cc(C(=O)Nc2cc[nH+]c3c2CCC3)cc1Cl ZINC001187903896 1134394459 /nfs/dbraw/zinc/39/44/59/1134394459.db2.gz OESMPLCLKLGDAS-UHFFFAOYSA-N 1 2 337.206 3.560 20 0 EHADLO CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000790347512 1134402049 /nfs/dbraw/zinc/40/20/49/1134402049.db2.gz KGCPLQVGBDCISL-UHFFFAOYSA-N 1 2 335.367 3.624 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000790505230 1134428514 /nfs/dbraw/zinc/42/85/14/1134428514.db2.gz WMTFDJBDDQIFHV-QXGSTGNESA-N 1 2 332.488 3.916 20 0 EHADLO Clc1c(C[NH2+]Cc2ccc(Cl)cn2)cnn1Cc1ccccc1 ZINC000790568771 1134437043 /nfs/dbraw/zinc/43/70/43/1134437043.db2.gz NHNBVDLSCSZBDZ-UHFFFAOYSA-N 1 2 347.249 3.923 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000135865897 1134453892 /nfs/dbraw/zinc/45/38/92/1134453892.db2.gz ZCGULDCDRCIPOP-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)CCS2 ZINC000790750149 1134462505 /nfs/dbraw/zinc/46/25/05/1134462505.db2.gz NYCHDHLYTQQTAN-IUODEOHRSA-N 1 2 329.473 3.513 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)[nH]1 ZINC001188508944 1134474568 /nfs/dbraw/zinc/47/45/68/1134474568.db2.gz SYDAXQLLJRAYSM-UHFFFAOYSA-N 1 2 334.301 3.531 20 0 EHADLO FC(F)(F)COc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001203685758 1134483741 /nfs/dbraw/zinc/48/37/41/1134483741.db2.gz GJRQNTFSCSFGQU-UHFFFAOYSA-N 1 2 334.301 3.952 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(-c2cnco2)c1 ZINC001188957065 1134524703 /nfs/dbraw/zinc/52/47/03/1134524703.db2.gz SPJJZTNRKJGLBX-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO COc1ccsc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791370629 1134536153 /nfs/dbraw/zinc/53/61/53/1134536153.db2.gz DTKDURXNYJKGNG-UHFFFAOYSA-N 1 2 328.393 3.608 20 0 EHADLO Cc1noc(C2CC2)c1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791443635 1134551908 /nfs/dbraw/zinc/55/19/08/1134551908.db2.gz ZOMDWVFGVASIJZ-UHFFFAOYSA-N 1 2 337.379 3.712 20 0 EHADLO CCO[C@@H](CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000791422430 1134555648 /nfs/dbraw/zinc/55/56/48/1134555648.db2.gz OUOWFUMVEYXBAE-SFHVURJKSA-N 1 2 330.428 3.675 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)c1 ZINC000791554602 1134573289 /nfs/dbraw/zinc/57/32/89/1134573289.db2.gz SVWVGQNWOYAPHK-JKIFEVAISA-N 1 2 327.428 3.605 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)c1 ZINC000791554602 1134573297 /nfs/dbraw/zinc/57/32/97/1134573297.db2.gz SVWVGQNWOYAPHK-JKIFEVAISA-N 1 2 327.428 3.605 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791639253 1134582632 /nfs/dbraw/zinc/58/26/32/1134582632.db2.gz NHWCNZMURVSGBM-OAQYLSRUSA-N 1 2 339.483 3.766 20 0 EHADLO Nc1cc(COC(=O)CCOc2ccccc2-c2ccccc2)cc[nH+]1 ZINC000791701427 1134592365 /nfs/dbraw/zinc/59/23/65/1134592365.db2.gz FILBEFKURQGYNZ-UHFFFAOYSA-N 1 2 348.402 3.843 20 0 EHADLO C/C(=C\C(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791970126 1134633597 /nfs/dbraw/zinc/63/35/97/1134633597.db2.gz IXCZZUGBAVSMGD-YRNVUSSQSA-N 1 2 336.313 3.829 20 0 EHADLO CN(C(=O)c1ccccc1-n1cc[nH+]c1)[C@H](C1CCC1)C(F)(F)F ZINC001190096969 1134655008 /nfs/dbraw/zinc/65/50/08/1134655008.db2.gz GBQQLNMCHXXAAN-OAHLLOKOSA-N 1 2 337.345 3.675 20 0 EHADLO CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190098458 1134655184 /nfs/dbraw/zinc/65/51/84/1134655184.db2.gz WNDFNKIEVJQFDC-UHFFFAOYSA-N 1 2 349.390 3.690 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](Cc3cncc4ccccc43)CCO2)cc1 ZINC000792186926 1134665603 /nfs/dbraw/zinc/66/56/03/1134665603.db2.gz JPIJNSUNYDVNHV-HXUWFJFHSA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](Cc3cncc4ccccc43)CCO2)cc1 ZINC000792186926 1134665607 /nfs/dbraw/zinc/66/56/07/1134665607.db2.gz JPIJNSUNYDVNHV-HXUWFJFHSA-N 1 2 334.419 3.515 20 0 EHADLO C[C@H]([NH2+]C/C(Cl)=C\Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775366301 1134671091 /nfs/dbraw/zinc/67/10/91/1134671091.db2.gz XSRZTZVOFVJJQC-UTEVDWOZSA-N 1 2 347.261 3.756 20 0 EHADLO O=C1O[C@@H](C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC12CCC2 ZINC000792218771 1134673050 /nfs/dbraw/zinc/67/30/50/1134673050.db2.gz SQQHZTOICALSRB-GFCCVEGCSA-N 1 2 340.250 3.837 20 0 EHADLO O=C1O[C@@H](C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC12CCC2 ZINC000792218771 1134673055 /nfs/dbraw/zinc/67/30/55/1134673055.db2.gz SQQHZTOICALSRB-GFCCVEGCSA-N 1 2 340.250 3.837 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001190338264 1134684921 /nfs/dbraw/zinc/68/49/21/1134684921.db2.gz RSSDGSHJJAOQBS-UHFFFAOYSA-N 1 2 333.351 3.942 20 0 EHADLO O=S(=O)(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C2CC2)cc1 ZINC001190464058 1134704780 /nfs/dbraw/zinc/70/47/80/1134704780.db2.gz KJAVQMQCGOMONB-UHFFFAOYSA-N 1 2 339.420 3.551 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000775393855 1134711294 /nfs/dbraw/zinc/71/12/94/1134711294.db2.gz PREVBFWCBPCHSZ-KRWDZBQOSA-N 1 2 341.842 3.983 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2cccc(C)c2Cl)c1C ZINC000792597749 1134725399 /nfs/dbraw/zinc/72/53/99/1134725399.db2.gz MZPLWWVJJHXUSE-UHFFFAOYSA-N 1 2 332.831 3.528 20 0 EHADLO O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc2[nH+]ccn21 ZINC000792704323 1134782852 /nfs/dbraw/zinc/78/28/52/1134782852.db2.gz JOJRFDQUOYXDSD-UHFFFAOYSA-N 1 2 334.423 3.967 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccn1 ZINC000130024043 1134849019 /nfs/dbraw/zinc/84/90/19/1134849019.db2.gz PMOTZFUZPCPROU-LLVKDONJSA-N 1 2 334.345 3.838 20 0 EHADLO Cc1sc(C(=O)OCCc2c[nH+]cn2C)cc1-c1ccc(F)cc1 ZINC000793240839 1134886190 /nfs/dbraw/zinc/88/61/90/1134886190.db2.gz HUEPYFVPWARMFL-UHFFFAOYSA-N 1 2 344.411 3.996 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000793257481 1134891214 /nfs/dbraw/zinc/89/12/14/1134891214.db2.gz VLZHAEWHMZPFCE-UHFFFAOYSA-N 1 2 345.830 3.594 20 0 EHADLO C[N@H+](Cc1nc(C2CCCCC2)cs1)C1CCS(=O)CC1 ZINC001191600458 1134894233 /nfs/dbraw/zinc/89/42/33/1134894233.db2.gz GKJQRWUAIABNGF-UHFFFAOYSA-N 1 2 326.531 3.534 20 0 EHADLO C[N@@H+](Cc1nc(C2CCCCC2)cs1)C1CCS(=O)CC1 ZINC001191600458 1134894238 /nfs/dbraw/zinc/89/42/38/1134894238.db2.gz GKJQRWUAIABNGF-UHFFFAOYSA-N 1 2 326.531 3.534 20 0 EHADLO Fc1ncccc1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000793287968 1134894627 /nfs/dbraw/zinc/89/46/27/1134894627.db2.gz AEOGWCMDFQOJPS-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CCc2ccsc2C1 ZINC000793510267 1134942787 /nfs/dbraw/zinc/94/27/87/1134942787.db2.gz ADYVYPXMWRYXHX-GOSISDBHSA-N 1 2 340.492 3.545 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CCc2ccsc2C1 ZINC000793510267 1134942795 /nfs/dbraw/zinc/94/27/95/1134942795.db2.gz ADYVYPXMWRYXHX-GOSISDBHSA-N 1 2 340.492 3.545 20 0 EHADLO C[C@@]12CC[N@H+](Cn3nc(-c4ccccc4)oc3=S)C[C@@H]1C2(F)F ZINC000793523570 1134946065 /nfs/dbraw/zinc/94/60/65/1134946065.db2.gz GUAKHMHFAYXGSU-SWLSCSKDSA-N 1 2 337.395 3.807 20 0 EHADLO C[C@@]12CC[N@@H+](Cn3nc(-c4ccccc4)oc3=S)C[C@@H]1C2(F)F ZINC000793523570 1134946070 /nfs/dbraw/zinc/94/60/70/1134946070.db2.gz GUAKHMHFAYXGSU-SWLSCSKDSA-N 1 2 337.395 3.807 20 0 EHADLO Cc1[nH+]cc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)n1C ZINC001192065454 1134964183 /nfs/dbraw/zinc/96/41/83/1134964183.db2.gz LUALGNFPGFARID-UHFFFAOYSA-N 1 2 341.436 3.505 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000793627926 1134974773 /nfs/dbraw/zinc/97/47/73/1134974773.db2.gz KHEVWAJOLIHDMH-FQEVSTJZSA-N 1 2 349.434 3.647 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000793627926 1134974781 /nfs/dbraw/zinc/97/47/81/1134974781.db2.gz KHEVWAJOLIHDMH-FQEVSTJZSA-N 1 2 349.434 3.647 20 0 EHADLO CCCCCSc1ncccc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001192581261 1135034221 /nfs/dbraw/zinc/03/42/21/1135034221.db2.gz GKMCEHWGYCTKRB-UHFFFAOYSA-N 1 2 341.480 3.922 20 0 EHADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC000775554268 1135069014 /nfs/dbraw/zinc/06/90/14/1135069014.db2.gz WGQQICDQDLRYCS-KRWDZBQOSA-N 1 2 330.428 3.828 20 0 EHADLO CN(C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1ccc(F)cc1 ZINC001193092986 1135105514 /nfs/dbraw/zinc/10/55/14/1135105514.db2.gz SVKUHJAUDBMBKY-UHFFFAOYSA-N 1 2 338.386 3.535 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC001193385373 1135133977 /nfs/dbraw/zinc/13/39/77/1135133977.db2.gz UUXXCWFFAKBCRM-BXUZGUMPSA-N 1 2 347.402 3.747 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC001193385373 1135133979 /nfs/dbraw/zinc/13/39/79/1135133979.db2.gz UUXXCWFFAKBCRM-BXUZGUMPSA-N 1 2 347.402 3.747 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001193546062 1135146590 /nfs/dbraw/zinc/14/65/90/1135146590.db2.gz NDYTVMOKKSQQJO-RHSMWYFYSA-N 1 2 329.843 3.914 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001193546062 1135146593 /nfs/dbraw/zinc/14/65/93/1135146593.db2.gz NDYTVMOKKSQQJO-RHSMWYFYSA-N 1 2 329.843 3.914 20 0 EHADLO C/C(=C/c1ccc(F)cc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000749335743 1135155328 /nfs/dbraw/zinc/15/53/28/1135155328.db2.gz WXONBRMNJYMYDC-SQFISAMPSA-N 1 2 344.455 3.635 20 0 EHADLO N=C(Nc1cccn2cc[nH+]c12)c1ccc(Br)cc1F ZINC001170460100 1135155579 /nfs/dbraw/zinc/15/55/79/1135155579.db2.gz ARRVICNDBVGINI-UHFFFAOYSA-N 1 2 333.164 3.673 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c[nH]2)cc1 ZINC001193775511 1135179019 /nfs/dbraw/zinc/17/90/19/1135179019.db2.gz VBXTZZGRVDEGQS-UHFFFAOYSA-N 1 2 334.423 3.664 20 0 EHADLO CCCC[C@@H](CC)COC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193980378 1135209044 /nfs/dbraw/zinc/20/90/44/1135209044.db2.gz FKEITSTVVINQAT-OAHLLOKOSA-N 1 2 337.464 3.677 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1Cl ZINC001194115675 1135228546 /nfs/dbraw/zinc/22/85/46/1135228546.db2.gz DXVXKVLGWHXEQT-HNNXBMFYSA-N 1 2 339.867 3.534 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1Cl ZINC001194115675 1135228551 /nfs/dbraw/zinc/22/85/51/1135228551.db2.gz DXVXKVLGWHXEQT-HNNXBMFYSA-N 1 2 339.867 3.534 20 0 EHADLO O=C(NC1CC[NH+](Cc2c(F)cccc2F)CC1)Oc1ccccc1 ZINC001194272299 1135253435 /nfs/dbraw/zinc/25/34/35/1135253435.db2.gz IMKYEXTWHPVBID-UHFFFAOYSA-N 1 2 346.377 3.718 20 0 EHADLO COc1cc(C[N@@H+]2CCN(C)C3(CCCCC3)C2)ccc1SC ZINC001194478401 1135276398 /nfs/dbraw/zinc/27/63/98/1135276398.db2.gz UVKQYRBWRWQQMS-UHFFFAOYSA-N 1 2 334.529 3.867 20 0 EHADLO CC[C@H]1CC([NH+]2CC(C)(F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484742 1135291031 /nfs/dbraw/zinc/29/10/31/1135291031.db2.gz QTNFMRAMVLDNOM-KBPBESRZSA-N 1 2 328.472 3.987 20 0 EHADLO Cc1cc2c(ncnc2NC(=O)c2cccc(-c3c[nH+]cn3C)c2)s1 ZINC001194880459 1135333860 /nfs/dbraw/zinc/33/38/60/1135333860.db2.gz WWBQPFOLRMPXON-UHFFFAOYSA-N 1 2 349.419 3.653 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cccc3ncccc23)c1 ZINC001194917377 1135340200 /nfs/dbraw/zinc/34/02/00/1135340200.db2.gz MFJQQUSMJYMMLZ-UHFFFAOYSA-N 1 2 342.402 3.565 20 0 EHADLO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cccc(-c3c[nH+]cn3C)c1)C2(C)C ZINC001194927118 1135341965 /nfs/dbraw/zinc/34/19/65/1135341965.db2.gz IBTGQSGDKGMZFC-VIBAHUMZSA-N 1 2 337.467 3.888 20 0 EHADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194890245 1135342706 /nfs/dbraw/zinc/34/27/06/1135342706.db2.gz FLSZKDVWSVQYMU-AWEZNQCLSA-N 1 2 340.826 3.722 20 0 EHADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194890245 1135342712 /nfs/dbraw/zinc/34/27/12/1135342712.db2.gz FLSZKDVWSVQYMU-AWEZNQCLSA-N 1 2 340.826 3.722 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cnc3ccc(O)cc3c2)c1 ZINC001194888394 1135342915 /nfs/dbraw/zinc/34/29/15/1135342915.db2.gz VJCCYYCXZFJIKS-UHFFFAOYSA-N 1 2 344.374 3.593 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3c(F)ccc(F)c3F)CC2)c1 ZINC001137930257 1135364379 /nfs/dbraw/zinc/36/43/79/1135364379.db2.gz IONXLBDABBUKJX-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO CCCCC[C@H](CC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000775646636 1135400799 /nfs/dbraw/zinc/40/07/99/1135400799.db2.gz LRHXGWGIKVDFOK-SFHVURJKSA-N 1 2 346.515 3.742 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)CC2 ZINC000806523025 1135453342 /nfs/dbraw/zinc/45/33/42/1135453342.db2.gz AGZIKEBMAWWKQO-UHFFFAOYSA-N 1 2 346.434 3.761 20 0 EHADLO C[NH+](C)c1ccc(N2CCC(N[C@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000806662102 1135481773 /nfs/dbraw/zinc/48/17/73/1135481773.db2.gz JIBPPXWRGRUPKU-QGZVFWFLSA-N 1 2 341.421 3.652 20 0 EHADLO CCN(C(C)=O)c1nc(CNc2ccc([NH+](C)C)cc2C)cs1 ZINC000121429207 1135484047 /nfs/dbraw/zinc/48/40/47/1135484047.db2.gz MRGLDVRXIDDZKB-UHFFFAOYSA-N 1 2 332.473 3.502 20 0 EHADLO CC[C@@H](C)n1nc(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C ZINC000775682428 1135505544 /nfs/dbraw/zinc/50/55/44/1135505544.db2.gz KKRMWPHIGLXWPO-GFCCVEGCSA-N 1 2 330.436 3.576 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCc4ccccc4C(C)(C)C3)[nH+]c12 ZINC001131057204 1135571637 /nfs/dbraw/zinc/57/16/37/1135571637.db2.gz XYONTDHBRKEJML-UHFFFAOYSA-N 1 2 347.462 3.548 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867179864 1135574876 /nfs/dbraw/zinc/57/48/76/1135574876.db2.gz CGSYRFOOMLVTJD-INIZCTEOSA-N 1 2 329.444 3.639 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867179864 1135574878 /nfs/dbraw/zinc/57/48/78/1135574878.db2.gz CGSYRFOOMLVTJD-INIZCTEOSA-N 1 2 329.444 3.639 20 0 EHADLO CCOCc1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000102537658 1135589705 /nfs/dbraw/zinc/58/97/05/1135589705.db2.gz YAWJIYJJPVXUCT-UHFFFAOYSA-N 1 2 343.427 3.565 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CC12CCC(CC1)C2 ZINC001196758907 1135601860 /nfs/dbraw/zinc/60/18/60/1135601860.db2.gz KKOQZPWAGSNKOJ-LTCLLZNKSA-N 1 2 335.875 3.984 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@@H](OCc3ccccc3F)C2)c1 ZINC000348222811 1135606693 /nfs/dbraw/zinc/60/66/93/1135606693.db2.gz AMAXKPVXWQRDMV-GOSISDBHSA-N 1 2 344.430 3.719 20 0 EHADLO Cc1cc(OC(C)C)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001196770041 1135613040 /nfs/dbraw/zinc/61/30/40/1135613040.db2.gz SLEUULBQHYYKRR-HNNXBMFYSA-N 1 2 327.428 3.525 20 0 EHADLO O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001196969434 1135629972 /nfs/dbraw/zinc/62/99/72/1135629972.db2.gz XLAASKGBYJWEPP-CQSZACIVSA-N 1 2 338.386 3.564 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808231192 1135633724 /nfs/dbraw/zinc/63/37/24/1135633724.db2.gz ZQCPSWVXOKSIIB-OAHLLOKOSA-N 1 2 346.475 3.837 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808231192 1135633725 /nfs/dbraw/zinc/63/37/25/1135633725.db2.gz ZQCPSWVXOKSIIB-OAHLLOKOSA-N 1 2 346.475 3.837 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3CC=CC3)n2)C1 ZINC001196994276 1135638426 /nfs/dbraw/zinc/63/84/26/1135638426.db2.gz CDXCHZDYGUKEBJ-AWEZNQCLSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3CC=CC3)n2)C1 ZINC001196994276 1135638428 /nfs/dbraw/zinc/63/84/28/1135638428.db2.gz CDXCHZDYGUKEBJ-AWEZNQCLSA-N 1 2 348.516 3.853 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1cccnc1 ZINC000808230410 1135638570 /nfs/dbraw/zinc/63/85/70/1135638570.db2.gz IRGFHECLBNBWFC-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C3CC3)C2)nc1-c1cccnc1 ZINC000808230410 1135638574 /nfs/dbraw/zinc/63/85/74/1135638574.db2.gz IRGFHECLBNBWFC-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO O=[S@](CC[N@H+]1CCC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078363 1135648106 /nfs/dbraw/zinc/64/81/06/1135648106.db2.gz WIWMSMNFFMBREN-WMZHIEFXSA-N 1 2 331.456 3.755 20 0 EHADLO O=[S@](CC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078363 1135648108 /nfs/dbraw/zinc/64/81/08/1135648108.db2.gz WIWMSMNFFMBREN-WMZHIEFXSA-N 1 2 331.456 3.755 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)nc1Cl)[C@@H](CO)c1ccccc1 ZINC001197254495 1135665708 /nfs/dbraw/zinc/66/57/08/1135665708.db2.gz HDHURVBAXRJXSM-AWEZNQCLSA-N 1 2 325.239 3.944 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)nc1Cl)[C@@H](CO)c1ccccc1 ZINC001197254495 1135665711 /nfs/dbraw/zinc/66/57/11/1135665711.db2.gz HDHURVBAXRJXSM-AWEZNQCLSA-N 1 2 325.239 3.944 20 0 EHADLO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1O ZINC000775768277 1135674550 /nfs/dbraw/zinc/67/45/50/1135674550.db2.gz MSVUOJFSJLFMPC-UHFFFAOYSA-N 1 2 336.863 3.573 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000808731240 1135730704 /nfs/dbraw/zinc/73/07/04/1135730704.db2.gz ULAKVEJFVRKESN-YOEHRIQHSA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000808731240 1135730708 /nfs/dbraw/zinc/73/07/08/1135730708.db2.gz ULAKVEJFVRKESN-YOEHRIQHSA-N 1 2 334.485 3.796 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CN=S(C)(C)=O)CC1 ZINC001197946479 1135756083 /nfs/dbraw/zinc/75/60/83/1135756083.db2.gz ARYHPVWQMBWXOT-LBPRGKRZSA-N 1 2 346.899 3.980 20 0 EHADLO Cc1ccc(NC(=S)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1 ZINC001198016546 1135762162 /nfs/dbraw/zinc/76/21/62/1135762162.db2.gz SSSCPACFRLIRHL-INIZCTEOSA-N 1 2 340.496 3.654 20 0 EHADLO CC(C)(C)c1cc2n(n1)CC[N@H+](Cc1ccccc1OC(F)F)C2 ZINC001198362465 1135804393 /nfs/dbraw/zinc/80/43/93/1135804393.db2.gz GJIFLJQNBRGAEL-UHFFFAOYSA-N 1 2 335.398 3.798 20 0 EHADLO CC(C)(C)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC001198362465 1135804398 /nfs/dbraw/zinc/80/43/98/1135804398.db2.gz GJIFLJQNBRGAEL-UHFFFAOYSA-N 1 2 335.398 3.798 20 0 EHADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001198641994 1135842128 /nfs/dbraw/zinc/84/21/28/1135842128.db2.gz VIYKFKHPNOYLBH-CYBMUJFWSA-N 1 2 328.366 3.705 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001198696218 1135844543 /nfs/dbraw/zinc/84/45/43/1135844543.db2.gz BHNQKVXRXGZLGD-HXUWFJFHSA-N 1 2 345.446 3.532 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001198696218 1135844547 /nfs/dbraw/zinc/84/45/47/1135844547.db2.gz BHNQKVXRXGZLGD-HXUWFJFHSA-N 1 2 345.446 3.532 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000809639614 1135864398 /nfs/dbraw/zinc/86/43/98/1135864398.db2.gz OLZXUAIQNPLHCI-CQSZACIVSA-N 1 2 336.480 3.582 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000809639614 1135864402 /nfs/dbraw/zinc/86/44/02/1135864402.db2.gz OLZXUAIQNPLHCI-CQSZACIVSA-N 1 2 336.480 3.582 20 0 EHADLO FC1(c2ccccc2)CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000809656120 1135866477 /nfs/dbraw/zinc/86/64/77/1135866477.db2.gz QGZNMWKGLOWEBR-UHFFFAOYSA-N 1 2 348.443 3.649 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000809720761 1135877939 /nfs/dbraw/zinc/87/79/39/1135877939.db2.gz MUMVGUMPLNVTFK-ZDUSSCGKSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000809720761 1135877940 /nfs/dbraw/zinc/87/79/40/1135877940.db2.gz MUMVGUMPLNVTFK-ZDUSSCGKSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810126919 1135924186 /nfs/dbraw/zinc/92/41/86/1135924186.db2.gz PAAFJSQZGWKGOX-CQSZACIVSA-N 1 2 342.443 3.561 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)n1 ZINC001199701281 1135924555 /nfs/dbraw/zinc/92/45/55/1135924555.db2.gz GLQBOSHMBKWQMQ-UHFFFAOYSA-N 1 2 332.835 3.601 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)n1 ZINC001199701281 1135924557 /nfs/dbraw/zinc/92/45/57/1135924557.db2.gz GLQBOSHMBKWQMQ-UHFFFAOYSA-N 1 2 332.835 3.601 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)n1-c1ccccc1 ZINC000776033997 1135940176 /nfs/dbraw/zinc/94/01/76/1135940176.db2.gz WAFVWUCHMAETPX-ZDUSSCGKSA-N 1 2 348.406 3.512 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC[C@H]1CCc2ccccc21 ZINC000810577379 1135977401 /nfs/dbraw/zinc/97/74/01/1135977401.db2.gz QCEWWINJIBMKRF-LJQANCHMSA-N 1 2 346.430 3.747 20 0 EHADLO Cc1cc(N(C)CC(C)(C)CNC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000747620268 1135985230 /nfs/dbraw/zinc/98/52/30/1135985230.db2.gz BOILIKZTFKQNBJ-UHFFFAOYSA-N 1 2 348.491 3.650 20 0 EHADLO CCOC(=O)c1cc(Cl)c(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201285818 1136000744 /nfs/dbraw/zinc/00/07/44/1136000744.db2.gz PWJKHLRRYRGADP-UHFFFAOYSA-N 1 2 326.183 3.891 20 0 EHADLO CC(C)(O)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001201257224 1136001842 /nfs/dbraw/zinc/00/18/42/1136001842.db2.gz NMOLONKTOUXMAE-UHFFFAOYSA-N 1 2 325.387 3.851 20 0 EHADLO COc1cc(F)c(CNc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC001201355976 1136011005 /nfs/dbraw/zinc/01/10/05/1136011005.db2.gz IWPIZSHWYPUJIM-UHFFFAOYSA-N 1 2 327.359 3.641 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H]2CC=CCC2)CC1(F)F ZINC001201422062 1136018548 /nfs/dbraw/zinc/01/85/48/1136018548.db2.gz GLJIAGSCMMDMKY-KBPBESRZSA-N 1 2 330.419 3.577 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC1(F)F ZINC001201422062 1136018552 /nfs/dbraw/zinc/01/85/52/1136018552.db2.gz GLJIAGSCMMDMKY-KBPBESRZSA-N 1 2 330.419 3.577 20 0 EHADLO Cc1ccc(-c2ocnc2C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132622170 1136047279 /nfs/dbraw/zinc/04/72/79/1136047279.db2.gz LMHLESQJFPDDBT-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1ccc(-c2ocnc2C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132622170 1136047280 /nfs/dbraw/zinc/04/72/80/1136047280.db2.gz LMHLESQJFPDDBT-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cncc(OCc2ccccc2)c1 ZINC001201625654 1136048585 /nfs/dbraw/zinc/04/85/85/1136048585.db2.gz IIOOQRCIPQXWQX-UHFFFAOYSA-N 1 2 330.391 3.890 20 0 EHADLO Cc1cc(CNc2cc(CSCCO)cc[nH+]2)cc2cccnc12 ZINC001201873221 1136071956 /nfs/dbraw/zinc/07/19/56/1136071956.db2.gz RVOBGWGQAPUOAD-UHFFFAOYSA-N 1 2 339.464 3.776 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC001202000827 1136085042 /nfs/dbraw/zinc/08/50/42/1136085042.db2.gz FYLMCAACBGQOOV-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc2cccnc21 ZINC001132814794 1136088192 /nfs/dbraw/zinc/08/81/92/1136088192.db2.gz CKZZLELLSMYSST-LJQANCHMSA-N 1 2 342.402 3.603 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811454647 1136089040 /nfs/dbraw/zinc/08/90/40/1136089040.db2.gz PMVZEGJAEKGKFE-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811454647 1136089044 /nfs/dbraw/zinc/08/90/44/1136089044.db2.gz PMVZEGJAEKGKFE-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811465403 1136091022 /nfs/dbraw/zinc/09/10/22/1136091022.db2.gz VYDDSAHGNOQKIK-LLVKDONJSA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811465403 1136091026 /nfs/dbraw/zinc/09/10/26/1136091026.db2.gz VYDDSAHGNOQKIK-LLVKDONJSA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)s1 ZINC000811511905 1136103250 /nfs/dbraw/zinc/10/32/50/1136103250.db2.gz XGBLIAQUEWGSTN-CQSZACIVSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)s1 ZINC000811511905 1136103252 /nfs/dbraw/zinc/10/32/52/1136103252.db2.gz XGBLIAQUEWGSTN-CQSZACIVSA-N 1 2 337.489 3.510 20 0 EHADLO Cc1cc(C[NH2+]Cc2ncccc2F)c(Br)cc1F ZINC001202258890 1136115395 /nfs/dbraw/zinc/11/53/95/1136115395.db2.gz KAOHXEPOLAEYJY-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO COc1cc(C)ccc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001202234142 1136118022 /nfs/dbraw/zinc/11/80/22/1136118022.db2.gz RJRDWKAHRZWHOJ-HOTGVXAUSA-N 1 2 341.455 3.624 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(OC3CCCC3)cc2)c(C)c[nH+]1 ZINC001202246627 1136119467 /nfs/dbraw/zinc/11/94/67/1136119467.db2.gz XBZJMPGHMVKBSB-UHFFFAOYSA-N 1 2 339.439 3.763 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)NCc2c[nH+]cn2C)c1Cl ZINC000811702134 1136128281 /nfs/dbraw/zinc/12/82/81/1136128281.db2.gz WNRVHMJEPLRDBY-UHFFFAOYSA-N 1 2 329.256 3.522 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000811749615 1136129343 /nfs/dbraw/zinc/12/93/43/1136129343.db2.gz WZUFECGGQJWRDI-MSOLQXFVSA-N 1 2 344.524 3.689 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000811749615 1136129344 /nfs/dbraw/zinc/12/93/44/1136129344.db2.gz WZUFECGGQJWRDI-MSOLQXFVSA-N 1 2 344.524 3.689 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=O)cc2C)cc1 ZINC000811731580 1136131786 /nfs/dbraw/zinc/13/17/86/1136131786.db2.gz HDMFFRPUOYGAMJ-MRXNPFEDSA-N 1 2 327.472 3.851 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=O)cc2C)cc1 ZINC000811731580 1136131788 /nfs/dbraw/zinc/13/17/88/1136131788.db2.gz HDMFFRPUOYGAMJ-MRXNPFEDSA-N 1 2 327.472 3.851 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3cccc(C)c3Br)ccn12 ZINC001132997244 1136137158 /nfs/dbraw/zinc/13/71/58/1136137158.db2.gz WOPKBEJPJZYTRT-UHFFFAOYSA-N 1 2 345.196 3.933 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](C(C)(C)C)C3)c(=O)cc2C)cc1 ZINC000811763571 1136137346 /nfs/dbraw/zinc/13/73/46/1136137346.db2.gz CNBPATZEEXCINT-SFHVURJKSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@H](C(C)(C)C)C3)c(=O)cc2C)cc1 ZINC000811763571 1136137348 /nfs/dbraw/zinc/13/73/48/1136137348.db2.gz CNBPATZEEXCINT-SFHVURJKSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](C)COCC2CCCCC2)c(N(C)C)[nH+]1 ZINC001202405999 1136137661 /nfs/dbraw/zinc/13/76/61/1136137661.db2.gz WEUPCOYGHONGRU-HNNXBMFYSA-N 1 2 348.491 3.563 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C2CC2)cc1 ZINC001133033068 1136146525 /nfs/dbraw/zinc/14/65/25/1136146525.db2.gz PNGKLFAZXMVSKT-FQEVSTJZSA-N 1 2 331.419 3.932 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)ccc1F ZINC000265920114 1136151666 /nfs/dbraw/zinc/15/16/66/1136151666.db2.gz GUBJZEVYEYVMRY-MLGOLLRUSA-N 1 2 348.397 3.728 20 0 EHADLO CCN(C)c1cc(N[C@@H](Cc2ccccc2)c2nccs2)[nH+]cn1 ZINC001170659029 1136168474 /nfs/dbraw/zinc/16/84/74/1136168474.db2.gz MXMBXJWNRQRRPC-HNNXBMFYSA-N 1 2 339.468 3.785 20 0 EHADLO CCN(C)c1cc(N[C@@H](Cc2ccccc2)c2nccs2)nc[nH+]1 ZINC001170659029 1136168476 /nfs/dbraw/zinc/16/84/76/1136168476.db2.gz MXMBXJWNRQRRPC-HNNXBMFYSA-N 1 2 339.468 3.785 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812279427 1136191258 /nfs/dbraw/zinc/19/12/58/1136191258.db2.gz WNTZMYHUWXPPJM-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812279427 1136191259 /nfs/dbraw/zinc/19/12/59/1136191259.db2.gz WNTZMYHUWXPPJM-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO CC[N@H+](Cn1ccn(-c2cc(C)ccc2C)c1=S)[C@@H]1CCOC1 ZINC000812297061 1136196031 /nfs/dbraw/zinc/19/60/31/1136196031.db2.gz XDJUEVSDCVNEJM-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2cc(C)ccc2C)c1=S)[C@@H]1CCOC1 ZINC000812297061 1136196033 /nfs/dbraw/zinc/19/60/33/1136196033.db2.gz XDJUEVSDCVNEJM-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CCCc1nsc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000812460345 1136211412 /nfs/dbraw/zinc/21/14/12/1136211412.db2.gz OXRUDWUZDNPSGM-UHFFFAOYSA-N 1 2 345.516 3.638 20 0 EHADLO Cc1ccc2oc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2c1 ZINC000850376719 1136244492 /nfs/dbraw/zinc/24/44/92/1136244492.db2.gz LBTHUMGPYKBSTL-UHFFFAOYSA-N 1 2 330.409 3.533 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001133456127 1136253562 /nfs/dbraw/zinc/25/35/62/1136253562.db2.gz QNGHZSKHEOMFCE-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO COc1ccc([C@@H](O)C2CC[NH+](Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000812857696 1136255392 /nfs/dbraw/zinc/25/53/92/1136255392.db2.gz BCVXYSWRPNZTDD-HXUWFJFHSA-N 1 2 344.455 3.752 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000850457898 1136263221 /nfs/dbraw/zinc/26/32/21/1136263221.db2.gz PQYDMRFKZPSZCY-HOTGVXAUSA-N 1 2 348.487 3.692 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc2c(c1)CCCO2 ZINC000850474543 1136266443 /nfs/dbraw/zinc/26/64/43/1136266443.db2.gz OTONRBLMWPIXIR-NSHDSACASA-N 1 2 337.345 3.671 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ncc(Br)s1 ZINC000850527796 1136278786 /nfs/dbraw/zinc/27/87/86/1136278786.db2.gz HLYVTJNXDLNIFO-AXTRIDKLSA-N 1 2 339.258 3.735 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC000813334928 1136319489 /nfs/dbraw/zinc/31/94/89/1136319489.db2.gz FJQVWITXNFCKHO-QGZVFWFLSA-N 1 2 325.387 3.755 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC000813334928 1136319490 /nfs/dbraw/zinc/31/94/90/1136319490.db2.gz FJQVWITXNFCKHO-QGZVFWFLSA-N 1 2 325.387 3.755 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170706464 1136335825 /nfs/dbraw/zinc/33/58/25/1136335825.db2.gz FDNBGSQWAULJJD-CYBMUJFWSA-N 1 2 347.361 3.608 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170706464 1136335828 /nfs/dbraw/zinc/33/58/28/1136335828.db2.gz FDNBGSQWAULJJD-CYBMUJFWSA-N 1 2 347.361 3.608 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H](O)c1ccc(Cl)cc1F ZINC000813430267 1136336206 /nfs/dbraw/zinc/33/62/06/1136336206.db2.gz XWINLNBPSFASON-HNNXBMFYSA-N 1 2 345.761 3.541 20 0 EHADLO CC[C@@H](C)CONC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000813689366 1136356889 /nfs/dbraw/zinc/35/68/89/1136356889.db2.gz JVNRCFBDIATOLY-KDOFPFPSSA-N 1 2 344.459 3.518 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001170711611 1136358778 /nfs/dbraw/zinc/35/87/78/1136358778.db2.gz OGLMWHULHWSYKD-NSHDSACASA-N 1 2 328.225 3.515 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC001170711611 1136358781 /nfs/dbraw/zinc/35/87/81/1136358781.db2.gz OGLMWHULHWSYKD-NSHDSACASA-N 1 2 328.225 3.515 20 0 EHADLO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(Cl)c1O ZINC000813855482 1136366983 /nfs/dbraw/zinc/36/69/83/1136366983.db2.gz OXMHZTZWSZJHPW-UHFFFAOYSA-N 1 2 338.879 3.774 20 0 EHADLO O=C(/C=C/c1cccc(F)c1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397354 1136376035 /nfs/dbraw/zinc/37/60/35/1136376035.db2.gz HIOCACSJSQMUEF-BQYQJAHWSA-N 1 2 340.398 3.694 20 0 EHADLO CC(C)c1cccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000851399579 1136376665 /nfs/dbraw/zinc/37/66/65/1136376665.db2.gz ARZSCGFMSOJPCE-UHFFFAOYSA-N 1 2 339.439 3.673 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1Cl ZINC000851400731 1136377038 /nfs/dbraw/zinc/37/70/38/1136377038.db2.gz NUZLBSKMEUZWFP-UHFFFAOYSA-N 1 2 348.805 3.948 20 0 EHADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(F)n1 ZINC000851855723 1136414007 /nfs/dbraw/zinc/41/40/07/1136414007.db2.gz UYJGYMNBGSUTDE-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(F)n1 ZINC000851855723 1136414009 /nfs/dbraw/zinc/41/40/09/1136414009.db2.gz UYJGYMNBGSUTDE-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C)c1nnc(C)o1 ZINC001170736166 1136430719 /nfs/dbraw/zinc/43/07/19/1136430719.db2.gz HNCRVAFAMOWJFZ-GUSZCTEKSA-N 1 2 327.428 3.500 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000852603917 1136469824 /nfs/dbraw/zinc/46/98/24/1136469824.db2.gz WUFVEBJEYTZHAU-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000852603917 1136469827 /nfs/dbraw/zinc/46/98/27/1136469827.db2.gz WUFVEBJEYTZHAU-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1csc(Cl)n1 ZINC000852727740 1136480792 /nfs/dbraw/zinc/48/07/92/1136480792.db2.gz QGEWDQAKDWEUFN-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1csc(Cl)n1 ZINC000852727740 1136480793 /nfs/dbraw/zinc/48/07/93/1136480793.db2.gz QGEWDQAKDWEUFN-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H](c2ccccc2)C(F)F)C1 ZINC000814650417 1136485510 /nfs/dbraw/zinc/48/55/10/1136485510.db2.gz RKFHJXPMUCANFB-HIFRSBDPSA-N 1 2 340.414 3.839 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000111165679 1136517339 /nfs/dbraw/zinc/51/73/39/1136517339.db2.gz NVAYGLLHZANOKP-ZDUSSCGKSA-N 1 2 334.489 3.562 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000111165679 1136517341 /nfs/dbraw/zinc/51/73/41/1136517341.db2.gz NVAYGLLHZANOKP-ZDUSSCGKSA-N 1 2 334.489 3.562 20 0 EHADLO Clc1cnn(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1C1CC1 ZINC000853506601 1136539177 /nfs/dbraw/zinc/53/91/77/1136539177.db2.gz CJMJLPPDEVSPTK-GOSISDBHSA-N 1 2 329.831 3.503 20 0 EHADLO Clc1cnn(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1C1CC1 ZINC000853506601 1136539180 /nfs/dbraw/zinc/53/91/80/1136539180.db2.gz CJMJLPPDEVSPTK-GOSISDBHSA-N 1 2 329.831 3.503 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853554007 1136543975 /nfs/dbraw/zinc/54/39/75/1136543975.db2.gz JFOLQEMWCDAGQF-GFCCVEGCSA-N 1 2 334.407 3.788 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853554007 1136543978 /nfs/dbraw/zinc/54/39/78/1136543978.db2.gz JFOLQEMWCDAGQF-GFCCVEGCSA-N 1 2 334.407 3.788 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563152 1136544486 /nfs/dbraw/zinc/54/44/86/1136544486.db2.gz MFLKSNFWZQCBIW-QFBILLFUSA-N 1 2 334.435 3.577 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563152 1136544489 /nfs/dbraw/zinc/54/44/89/1136544489.db2.gz MFLKSNFWZQCBIW-QFBILLFUSA-N 1 2 334.435 3.577 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815070325 1136546634 /nfs/dbraw/zinc/54/66/34/1136546634.db2.gz SJPWLEMSXMPOIS-SFTDATJTSA-N 1 2 349.430 3.719 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815070325 1136546635 /nfs/dbraw/zinc/54/66/35/1136546635.db2.gz SJPWLEMSXMPOIS-SFTDATJTSA-N 1 2 349.430 3.719 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+](CCC3CC3)CC3CC3)n2c(C)c1C ZINC000853604920 1136548417 /nfs/dbraw/zinc/54/84/17/1136548417.db2.gz ANWXAOYGBOKVDB-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+](CCC3CC3)CC3CC3)n2c(C)c1C ZINC000853604920 1136548421 /nfs/dbraw/zinc/54/84/21/1136548421.db2.gz ANWXAOYGBOKVDB-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO C[N@H+](C[C@H]1CCc2ccccc21)Cn1ncn(C(C)(C)C)c1=S ZINC000853610623 1136549093 /nfs/dbraw/zinc/54/90/93/1136549093.db2.gz QZIBBUIKONKHQG-OAHLLOKOSA-N 1 2 330.501 3.788 20 0 EHADLO C[N@@H+](C[C@H]1CCc2ccccc21)Cn1ncn(C(C)(C)C)c1=S ZINC000853610623 1136549095 /nfs/dbraw/zinc/54/90/95/1136549095.db2.gz QZIBBUIKONKHQG-OAHLLOKOSA-N 1 2 330.501 3.788 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)C[C@@H]2CC2(C)C)c(=S)n1C ZINC000853626686 1136550212 /nfs/dbraw/zinc/55/02/12/1136550212.db2.gz DNHPWOITSLOFTO-ZDUSSCGKSA-N 1 2 346.500 3.562 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c(=S)n1C ZINC000853626686 1136550215 /nfs/dbraw/zinc/55/02/15/1136550215.db2.gz DNHPWOITSLOFTO-ZDUSSCGKSA-N 1 2 346.500 3.562 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc3c(s1)CCCC3)O[C@@H](C)C2 ZINC000776687556 1136553741 /nfs/dbraw/zinc/55/37/41/1136553741.db2.gz FJNUYZUEAXAZLH-LBPRGKRZSA-N 1 2 344.480 3.644 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000854156532 1136593581 /nfs/dbraw/zinc/59/35/81/1136593581.db2.gz ONERCNDQESHNEQ-GJZGRUSLSA-N 1 2 337.851 3.936 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000854267652 1136603526 /nfs/dbraw/zinc/60/35/26/1136603526.db2.gz FRPSDLBFHGOXHT-QZTJIDSGSA-N 1 2 338.455 3.543 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2ccnc3ccccc32)CC1)n1cc[nH+]c1 ZINC000854757059 1136642298 /nfs/dbraw/zinc/64/22/98/1136642298.db2.gz NTKPQENKFPLESW-INIZCTEOSA-N 1 2 348.450 3.789 20 0 EHADLO Brc1c[nH+]c2ccccc2c1NCOc1ccccc1 ZINC001170806963 1136651763 /nfs/dbraw/zinc/65/17/63/1136651763.db2.gz UZIZSUXKXWATAI-UHFFFAOYSA-N 1 2 329.197 3.868 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC000855012286 1136660687 /nfs/dbraw/zinc/66/06/87/1136660687.db2.gz KXBHRMZUUXTYNR-QGZVFWFLSA-N 1 2 325.456 3.752 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1[C@@H]1CCCOCC1 ZINC001170816273 1136689627 /nfs/dbraw/zinc/68/96/27/1136689627.db2.gz AXMHZMNBBBTOOL-AEFFLSMTSA-N 1 2 344.480 3.753 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1[C@@H]1CCCOCC1 ZINC001170816273 1136689629 /nfs/dbraw/zinc/68/96/29/1136689629.db2.gz AXMHZMNBBBTOOL-AEFFLSMTSA-N 1 2 344.480 3.753 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ns1 ZINC000816396682 1136709877 /nfs/dbraw/zinc/70/98/77/1136709877.db2.gz SAEBRBVLGNYGRA-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ns1 ZINC000816396682 1136709880 /nfs/dbraw/zinc/70/98/80/1136709880.db2.gz SAEBRBVLGNYGRA-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001135598713 1136724367 /nfs/dbraw/zinc/72/43/67/1136724367.db2.gz TZEYWTLGFYIUEY-BETUJISGSA-N 1 2 331.366 3.969 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[NH+]1CCOCC1 ZINC001135686924 1136751829 /nfs/dbraw/zinc/75/18/29/1136751829.db2.gz HXNORBSNWKAXFW-KRWDZBQOSA-N 1 2 338.879 3.724 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)Cc3[nH]cc[nH+]3)s2)cc1Cl ZINC000816842112 1136757044 /nfs/dbraw/zinc/75/70/44/1136757044.db2.gz DBVRMKSXIGRKPP-UHFFFAOYSA-N 1 2 346.843 3.600 20 0 EHADLO CCCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001135745509 1136765399 /nfs/dbraw/zinc/76/53/99/1136765399.db2.gz YBTHCPBIOFMMFN-QGZVFWFLSA-N 1 2 343.427 3.676 20 0 EHADLO COc1cc2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3)cc2cc1OC ZINC000856255139 1136769629 /nfs/dbraw/zinc/76/96/29/1136769629.db2.gz DFHHAWCGFHSIBM-ZDUSSCGKSA-N 1 2 339.395 3.643 20 0 EHADLO Cc1noc(C)c1C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817574548 1136821232 /nfs/dbraw/zinc/82/12/32/1136821232.db2.gz QSBHTUDGQLVSEN-GFCCVEGCSA-N 1 2 342.262 3.751 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817124892 1136781329 /nfs/dbraw/zinc/78/13/29/1136781329.db2.gz PHJALQIFPWCNCT-NSHDSACASA-N 1 2 341.381 3.750 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@H](CC)O1 ZINC000817280340 1136790794 /nfs/dbraw/zinc/79/07/94/1136790794.db2.gz CTSCVTXNPCCIFF-OIISXLGYSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@H](CC)O1 ZINC000817280340 1136790796 /nfs/dbraw/zinc/79/07/96/1136790796.db2.gz CTSCVTXNPCCIFF-OIISXLGYSA-N 1 2 329.444 3.995 20 0 EHADLO Fc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1Cl ZINC001137655292 1136792178 /nfs/dbraw/zinc/79/21/78/1136792178.db2.gz FZPOLVTUNGHYDX-OAHLLOKOSA-N 1 2 332.797 3.785 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000817278455 1136793502 /nfs/dbraw/zinc/79/35/02/1136793502.db2.gz BQGCKNFEINUWMN-GHMZBOCLSA-N 1 2 330.881 3.739 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cnc(Cl)s1 ZINC000817278455 1136793504 /nfs/dbraw/zinc/79/35/04/1136793504.db2.gz BQGCKNFEINUWMN-GHMZBOCLSA-N 1 2 330.881 3.739 20 0 EHADLO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000856805114 1136812996 /nfs/dbraw/zinc/81/29/96/1136812996.db2.gz KOIAEYCFDVNUEI-LLVKDONJSA-N 1 2 336.785 3.737 20 0 EHADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000856805114 1136812998 /nfs/dbraw/zinc/81/29/98/1136812998.db2.gz KOIAEYCFDVNUEI-LLVKDONJSA-N 1 2 336.785 3.737 20 0 EHADLO CC[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC001135937411 1136818728 /nfs/dbraw/zinc/81/87/28/1136818728.db2.gz OEUZEYHYHGNRHF-HXUWFJFHSA-N 1 2 349.434 3.691 20 0 EHADLO FC(F)[C@@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1 ZINC000857076843 1136841787 /nfs/dbraw/zinc/84/17/87/1136841787.db2.gz YAUMBZFQXMWRBV-AWEZNQCLSA-N 1 2 341.199 3.983 20 0 EHADLO COc1c[nH+]c(N[C@@H](c2ccccc2)C(F)(F)F)nc1NC1CC1 ZINC001170884047 1136853682 /nfs/dbraw/zinc/85/36/82/1136853682.db2.gz VZIWBSGEWLEMRK-ZDUSSCGKSA-N 1 2 338.333 3.775 20 0 EHADLO Cc1cccc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1C ZINC001136102862 1136857436 /nfs/dbraw/zinc/85/74/36/1136857436.db2.gz JHZLLUQQSIQKMW-UHFFFAOYSA-N 1 2 334.423 3.864 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccco1 ZINC000857257901 1136858096 /nfs/dbraw/zinc/85/80/96/1136858096.db2.gz GDWQBPIYNLYAGH-GHZIXAOTSA-N 1 2 325.412 3.617 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000818194877 1136865418 /nfs/dbraw/zinc/86/54/18/1136865418.db2.gz QMDDDQLCLZBTKN-HZPDHXFCSA-N 1 2 328.460 3.690 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000857433339 1136870031 /nfs/dbraw/zinc/87/00/31/1136870031.db2.gz WOWJIHKSVLAECA-UHFFFAOYSA-N 1 2 337.223 3.629 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1C ZINC000818614123 1136886260 /nfs/dbraw/zinc/88/62/60/1136886260.db2.gz RPDDMXUOIWTAMA-ZDUSSCGKSA-N 1 2 343.452 3.591 20 0 EHADLO Cc1ccc(NC(=O)c2cscc2C(F)(F)F)c(N(C)C)[nH+]1 ZINC000857600062 1136888806 /nfs/dbraw/zinc/88/88/06/1136888806.db2.gz JSICMIIRBSNWIY-UHFFFAOYSA-N 1 2 329.347 3.789 20 0 EHADLO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(=O)c2ccccc12 ZINC000115512040 1136903293 /nfs/dbraw/zinc/90/32/93/1136903293.db2.gz OGHYRVWUYTYAIS-MAUKXSAKSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(=O)c2ccccc12 ZINC000115512040 1136903296 /nfs/dbraw/zinc/90/32/96/1136903296.db2.gz OGHYRVWUYTYAIS-MAUKXSAKSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776970622 1136907611 /nfs/dbraw/zinc/90/76/11/1136907611.db2.gz OIBHFYZLIKGKHQ-YLJYHZDGSA-N 1 2 349.434 3.540 20 0 EHADLO COCc1cccc(OCC2(C[N@@H+]3Cc4ccncc4C3)CCC2)c1 ZINC000857877223 1136916979 /nfs/dbraw/zinc/91/69/79/1136916979.db2.gz DCMKBWFQZUUCJA-UHFFFAOYSA-N 1 2 338.451 3.793 20 0 EHADLO COCc1cccc(OCC2(C[N@H+]3Cc4ccncc4C3)CCC2)c1 ZINC000857877223 1136916982 /nfs/dbraw/zinc/91/69/82/1136916982.db2.gz DCMKBWFQZUUCJA-UHFFFAOYSA-N 1 2 338.451 3.793 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1c(F)ccc(SCC2CC2)c1F ZINC000857976318 1136926836 /nfs/dbraw/zinc/92/68/36/1136926836.db2.gz BCTPNHBDDGFWOR-LBPRGKRZSA-N 1 2 349.406 3.538 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000857976606 1136926858 /nfs/dbraw/zinc/92/68/58/1136926858.db2.gz HSPBVTYBBDFFPE-CQSZACIVSA-N 1 2 349.356 3.585 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986048 1136927372 /nfs/dbraw/zinc/92/73/72/1136927372.db2.gz LAEUGRQQBHHBGK-WMLDXEAASA-N 1 2 326.444 3.523 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(Cl)c1 ZINC000857983002 1136927405 /nfs/dbraw/zinc/92/74/05/1136927405.db2.gz UTYPYRWRVUNMLL-OAHLLOKOSA-N 1 2 333.819 3.590 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000857985152 1136927591 /nfs/dbraw/zinc/92/75/91/1136927591.db2.gz GYJFKFREPVZFPO-MBNYWOFBSA-N 1 2 336.222 3.555 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858010358 1136929114 /nfs/dbraw/zinc/92/91/14/1136929114.db2.gz HJTLIQGNNCMSLU-QGZVFWFLSA-N 1 2 329.469 3.767 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858010358 1136929117 /nfs/dbraw/zinc/92/91/17/1136929117.db2.gz HJTLIQGNNCMSLU-QGZVFWFLSA-N 1 2 329.469 3.767 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)nc1 ZINC000858011058 1136929187 /nfs/dbraw/zinc/92/91/87/1136929187.db2.gz JLVZJXZVYYRUBR-OAHLLOKOSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)nc1 ZINC000858011058 1136929189 /nfs/dbraw/zinc/92/91/89/1136929189.db2.gz JLVZJXZVYYRUBR-OAHLLOKOSA-N 1 2 331.485 3.797 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000858231507 1136950999 /nfs/dbraw/zinc/95/09/99/1136950999.db2.gz SPLHKHAMUONYDW-MRXNPFEDSA-N 1 2 344.846 3.524 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001136251872 1136955958 /nfs/dbraw/zinc/95/59/58/1136955958.db2.gz SHSZDHHHHGMYEH-UHFFFAOYSA-N 1 2 337.398 3.944 20 0 EHADLO FC1(F)CC[NH+](C2CN([C@@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC001170935998 1136958801 /nfs/dbraw/zinc/95/88/01/1136958801.db2.gz XBUSEHYKJDMGMB-CQSZACIVSA-N 1 2 340.845 3.613 20 0 EHADLO Cc1cc(NC2(C(=O)OCc3ccccc3)CCC2)c2[nH+]ccn2c1 ZINC001170939148 1136962575 /nfs/dbraw/zinc/96/25/75/1136962575.db2.gz SHIVSICRSUYPHM-UHFFFAOYSA-N 1 2 335.407 3.721 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000819901297 1136965746 /nfs/dbraw/zinc/96/57/46/1136965746.db2.gz YFPIIZUIPSGWGJ-QGZVFWFLSA-N 1 2 339.483 3.972 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000819901297 1136965749 /nfs/dbraw/zinc/96/57/49/1136965749.db2.gz YFPIIZUIPSGWGJ-QGZVFWFLSA-N 1 2 339.483 3.972 20 0 EHADLO OC1(Cc2cccc(F)c2)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000858485989 1136972489 /nfs/dbraw/zinc/97/24/89/1136972489.db2.gz RGYWYNBJXWBWGJ-UHFFFAOYSA-N 1 2 336.410 3.948 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(CC1CCCCC1)c1ccccn1 ZINC000777051463 1136989825 /nfs/dbraw/zinc/98/98/25/1136989825.db2.gz IZCYXFNYVMCPEA-UHFFFAOYSA-N 1 2 334.423 3.956 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001136335538 1136990624 /nfs/dbraw/zinc/99/06/24/1136990624.db2.gz CMUIWKSVLIBIIF-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001136335538 1136990626 /nfs/dbraw/zinc/99/06/26/1136990626.db2.gz CMUIWKSVLIBIIF-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000858929741 1136997353 /nfs/dbraw/zinc/99/73/53/1136997353.db2.gz NNHJZMPTHDSPNT-RQOWECAXSA-N 1 2 333.482 3.613 20 0 EHADLO COc1cccc(CC2CC[NH+](Cc3cc(Cl)n(C)n3)CC2)c1 ZINC000859246014 1137009373 /nfs/dbraw/zinc/00/93/73/1137009373.db2.gz GIHIZPHEGYPZLO-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859287606 1137010665 /nfs/dbraw/zinc/01/06/65/1137010665.db2.gz NOTOKYYHLRTJGH-UHFFFAOYSA-N 1 2 343.862 3.569 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H](O)c1ccc(Cl)cc1 ZINC000859360619 1137012771 /nfs/dbraw/zinc/01/27/71/1137012771.db2.gz FQTIPMKWVFBYNF-IAGOWNOFSA-N 1 2 349.862 3.838 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(F)cc(C)c3N)c2)[nH+]c1C ZINC001136400032 1137013100 /nfs/dbraw/zinc/01/31/00/1137013100.db2.gz XFBLWLDIKAPKIM-UHFFFAOYSA-N 1 2 338.386 3.976 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367720 1137024934 /nfs/dbraw/zinc/02/49/34/1137024934.db2.gz FKFINSQXECWZHH-IOASZLSFSA-N 1 2 330.255 3.934 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367720 1137024935 /nfs/dbraw/zinc/02/49/35/1137024935.db2.gz FKFINSQXECWZHH-IOASZLSFSA-N 1 2 330.255 3.934 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001136458952 1137030832 /nfs/dbraw/zinc/03/08/32/1137030832.db2.gz APNBMMGXMCGFMF-RTBURBONSA-N 1 2 347.418 3.836 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000859955030 1137038714 /nfs/dbraw/zinc/03/87/14/1137038714.db2.gz RKGSMPMJTDRQJF-WDMOLILDSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000859955030 1137038716 /nfs/dbraw/zinc/03/87/16/1137038716.db2.gz RKGSMPMJTDRQJF-WDMOLILDSA-N 1 2 343.254 3.552 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136511683 1137042010 /nfs/dbraw/zinc/04/20/10/1137042010.db2.gz JLKMWXXHQAURDM-SJLPKXTDSA-N 1 2 340.471 3.551 20 0 EHADLO COc1cc(-c2nc(C[NH2+][C@H](C)c3ccns3)cs2)ccc1O ZINC000860057682 1137042600 /nfs/dbraw/zinc/04/26/00/1137042600.db2.gz XGGLJVHDBWEJKX-SNVBAGLBSA-N 1 2 347.465 3.832 20 0 EHADLO COc1cccc([C@H](O)C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c1 ZINC000860140253 1137046141 /nfs/dbraw/zinc/04/61/41/1137046141.db2.gz ZPKMFQBPEUXHTB-HXUWFJFHSA-N 1 2 342.439 3.506 20 0 EHADLO CN(C)c1cc(COC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000860149123 1137046503 /nfs/dbraw/zinc/04/65/03/1137046503.db2.gz GRISTYWOPWEKGV-DLBZAZTESA-N 1 2 328.387 3.524 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000860217963 1137050053 /nfs/dbraw/zinc/05/00/53/1137050053.db2.gz NQDVNPBNKCSPEG-ARJAWSKDSA-N 1 2 343.374 3.525 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CC(CC(F)F)C1 ZINC000822520751 1137062317 /nfs/dbraw/zinc/06/23/17/1137062317.db2.gz OIEGFQXKDHYNLH-UHFFFAOYSA-N 1 2 339.817 3.980 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000860683817 1137072842 /nfs/dbraw/zinc/07/28/42/1137072842.db2.gz MEJLQVRLBBSFDU-UHFFFAOYSA-N 1 2 348.393 3.686 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)c(C=O)cc2F)ccc1-n1cc[nH+]c1 ZINC001136625647 1137073400 /nfs/dbraw/zinc/07/34/00/1137073400.db2.gz RIUMMNBKSAYBFC-UHFFFAOYSA-N 1 2 341.317 3.524 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)n1cc[nH+]c1 ZINC000822788809 1137074016 /nfs/dbraw/zinc/07/40/16/1137074016.db2.gz NHYHKIPHDANWEX-VNHYZAJKSA-N 1 2 344.286 3.513 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1Cc2cccc(Cl)c2C1 ZINC000822943187 1137080290 /nfs/dbraw/zinc/08/02/90/1137080290.db2.gz BVWILXZGOWYJGU-ZDUSSCGKSA-N 1 2 343.736 3.572 20 0 EHADLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860843427 1137080747 /nfs/dbraw/zinc/08/07/47/1137080747.db2.gz YQCRZGTXDWATRO-RTBURBONSA-N 1 2 336.435 3.645 20 0 EHADLO O=C(NCc1cccc2ccccc21)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136703000 1137093609 /nfs/dbraw/zinc/09/36/09/1137093609.db2.gz ZHDXFBQHOWIUGE-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO Cc1cc(Br)c(F)cc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000861201848 1137096638 /nfs/dbraw/zinc/09/66/38/1137096638.db2.gz BOEDGEDMBOYGJP-JTQLQIEISA-N 1 2 341.180 3.650 20 0 EHADLO CC(C)C[C@@H](C(=O)NCC[C@]1(C)CC1(Cl)Cl)n1cc[nH+]c1 ZINC000823386322 1137097245 /nfs/dbraw/zinc/09/72/45/1137097245.db2.gz SHARQQUBJHRWKA-GXTWGEPZSA-N 1 2 332.275 3.561 20 0 EHADLO CC(C)=C[C@H]1[C@@H](c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)C1(C)C ZINC000823397343 1137098193 /nfs/dbraw/zinc/09/81/93/1137098193.db2.gz KZBKFXBVIILDAO-OBJOEFQTSA-N 1 2 335.448 3.507 20 0 EHADLO CCC[C@H](CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001136722984 1137100321 /nfs/dbraw/zinc/10/03/21/1137100321.db2.gz QCANCKNAFQUYPG-IRXDYDNUSA-N 1 2 332.488 3.727 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000823921412 1137119884 /nfs/dbraw/zinc/11/98/84/1137119884.db2.gz FFMGYIVZQFBHPL-IBGZPJMESA-N 1 2 338.430 3.819 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)[C@@H]2C ZINC001171042136 1137122542 /nfs/dbraw/zinc/12/25/42/1137122542.db2.gz DVHLAJYBLAKYNY-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)[C@@H]2C ZINC001171042136 1137122544 /nfs/dbraw/zinc/12/25/44/1137122544.db2.gz DVHLAJYBLAKYNY-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO CCn1nc(C)c(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)n1 ZINC000824050455 1137122693 /nfs/dbraw/zinc/12/26/93/1137122693.db2.gz GGWJIHUIMWIVBY-UHFFFAOYSA-N 1 2 334.414 3.834 20 0 EHADLO COc1cc(C[N@H+](Cc2ccnc(Cl)c2F)C2CC2)ccc1O ZINC000824202205 1137128124 /nfs/dbraw/zinc/12/81/24/1137128124.db2.gz JDJOVZNTNFENFR-UHFFFAOYSA-N 1 2 336.794 3.753 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccnc(Cl)c2F)C2CC2)ccc1O ZINC000824202205 1137128125 /nfs/dbraw/zinc/12/81/25/1137128125.db2.gz JDJOVZNTNFENFR-UHFFFAOYSA-N 1 2 336.794 3.753 20 0 EHADLO Cn1cc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c(Br)n1 ZINC000862212141 1137132521 /nfs/dbraw/zinc/13/25/21/1137132521.db2.gz QOMYZRXNLWZFIP-HNNXBMFYSA-N 1 2 349.276 3.695 20 0 EHADLO Cn1cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)c(Br)n1 ZINC000862212141 1137132522 /nfs/dbraw/zinc/13/25/22/1137132522.db2.gz QOMYZRXNLWZFIP-HNNXBMFYSA-N 1 2 349.276 3.695 20 0 EHADLO Fc1c(C[NH+]2CCC(N3CCc4ccccc43)CC2)ccnc1Cl ZINC000824339249 1137133147 /nfs/dbraw/zinc/13/31/47/1137133147.db2.gz QHHLCDQIDMTZOJ-UHFFFAOYSA-N 1 2 345.849 3.901 20 0 EHADLO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000824370431 1137135768 /nfs/dbraw/zinc/13/57/68/1137135768.db2.gz HRGFNRBMRSKFPT-IBGZPJMESA-N 1 2 332.394 3.614 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccnc(F)c2C)C3)cc1 ZINC000862344829 1137139319 /nfs/dbraw/zinc/13/93/19/1137139319.db2.gz LIXQFGSSNPMMAF-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccnc(F)c2C)C3)cc1 ZINC000862344829 1137139320 /nfs/dbraw/zinc/13/93/20/1137139320.db2.gz LIXQFGSSNPMMAF-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000862400504 1137142655 /nfs/dbraw/zinc/14/26/55/1137142655.db2.gz YNYIDGUJPHDCNB-MGPQQGTHSA-N 1 2 349.475 3.770 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1Cc1cnc(C2CC2)o1 ZINC000862400504 1137142657 /nfs/dbraw/zinc/14/26/57/1137142657.db2.gz YNYIDGUJPHDCNB-MGPQQGTHSA-N 1 2 349.475 3.770 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000824618063 1137144236 /nfs/dbraw/zinc/14/42/36/1137144236.db2.gz NZOQPSCWTSFPJN-UHFFFAOYSA-N 1 2 343.427 3.654 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171067608 1137154316 /nfs/dbraw/zinc/15/43/16/1137154316.db2.gz XLZGYNZQCPHGPN-SWLSCSKDSA-N 1 2 330.255 3.782 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C ZINC000862718107 1137154551 /nfs/dbraw/zinc/15/45/51/1137154551.db2.gz FEPZDPOQKQWHHN-UHFFFAOYSA-N 1 2 344.415 3.555 20 0 EHADLO CC1(C)CCC(C)(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000824982057 1137161028 /nfs/dbraw/zinc/16/10/28/1137161028.db2.gz JQEWELGHEOYSLS-GFCCVEGCSA-N 1 2 331.382 3.852 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@H]3C[C@@H](C)n4ccnc43)c(Cl)nc21 ZINC000825016916 1137161969 /nfs/dbraw/zinc/16/19/69/1137161969.db2.gz JGIYDOHOLKFXDL-RISCZKNCSA-N 1 2 344.850 3.658 20 0 EHADLO Fc1cccc2[nH]cc(CN3CC[NH+](Cc4ccccc4F)CC3)c21 ZINC001136984109 1137164429 /nfs/dbraw/zinc/16/44/29/1137164429.db2.gz DZGHLKUFKIRDEY-UHFFFAOYSA-N 1 2 341.405 3.764 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136989866 1137165732 /nfs/dbraw/zinc/16/57/32/1137165732.db2.gz WBBZOHYJDKGIES-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136989866 1137165733 /nfs/dbraw/zinc/16/57/33/1137165733.db2.gz WBBZOHYJDKGIES-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO CC1(C)CCC(C)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000862967001 1137165910 /nfs/dbraw/zinc/16/59/10/1137165910.db2.gz PWUVHZZIQUIAQQ-UHFFFAOYSA-N 1 2 339.483 3.949 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863254578 1137177844 /nfs/dbraw/zinc/17/78/44/1137177844.db2.gz JLYQHKMHDAMLGG-GOEBONIOSA-N 1 2 325.456 3.840 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863254578 1137177846 /nfs/dbraw/zinc/17/78/46/1137177846.db2.gz JLYQHKMHDAMLGG-GOEBONIOSA-N 1 2 325.456 3.840 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001137038048 1137177962 /nfs/dbraw/zinc/17/79/62/1137177962.db2.gz MOSDKCIUZFXEOJ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001137038048 1137177963 /nfs/dbraw/zinc/17/79/63/1137177963.db2.gz MOSDKCIUZFXEOJ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COCCCn1cnn(C[N@H+](C)C[C@@H](C)C2CCCCC2)c1=S ZINC000863315120 1137180688 /nfs/dbraw/zinc/18/06/88/1137180688.db2.gz MFZMYPQFLGMCGD-OAHLLOKOSA-N 1 2 340.537 3.556 20 0 EHADLO COCCCn1cnn(C[N@@H+](C)C[C@@H](C)C2CCCCC2)c1=S ZINC000863315120 1137180690 /nfs/dbraw/zinc/18/06/90/1137180690.db2.gz MFZMYPQFLGMCGD-OAHLLOKOSA-N 1 2 340.537 3.556 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC=CC[C@H]3C(F)(F)F)ccn12 ZINC000825481422 1137180859 /nfs/dbraw/zinc/18/08/59/1137180859.db2.gz GSQMCOSBNDOOBQ-UONOGXRCSA-N 1 2 337.345 3.517 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1Cl ZINC001143369296 1137183097 /nfs/dbraw/zinc/18/30/97/1137183097.db2.gz OLHKYVSGVMOSIF-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1Cl ZINC001143369296 1137183098 /nfs/dbraw/zinc/18/30/98/1137183098.db2.gz OLHKYVSGVMOSIF-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO Cc1nnc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)o1 ZINC001143627135 1137184006 /nfs/dbraw/zinc/18/40/06/1137184006.db2.gz CQPNLUDYACATJH-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843848382 1137184125 /nfs/dbraw/zinc/18/41/25/1137184125.db2.gz GODMANFVPGWVMB-HUUCEWRRSA-N 1 2 342.817 3.621 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843848382 1137184126 /nfs/dbraw/zinc/18/41/26/1137184126.db2.gz GODMANFVPGWVMB-HUUCEWRRSA-N 1 2 342.817 3.621 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1csc2ccccc21 ZINC000844132285 1137200398 /nfs/dbraw/zinc/20/03/98/1137200398.db2.gz FVJMKMRGZUYCNQ-QWHCGFSZSA-N 1 2 325.437 3.538 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3Br)C[C@@H]12 ZINC001143824489 1137202139 /nfs/dbraw/zinc/20/21/39/1137202139.db2.gz FXWIODHSBVXWFH-VHSXEESVSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3c(F)ccc(F)c3Br)C[C@@H]12 ZINC001143824489 1137202140 /nfs/dbraw/zinc/20/21/40/1137202140.db2.gz FXWIODHSBVXWFH-VHSXEESVSA-N 1 2 344.199 3.528 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)[C@H]1C ZINC001143860536 1137205089 /nfs/dbraw/zinc/20/50/89/1137205089.db2.gz QCXSQYJLEYFGGA-VHSXEESVSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)[C@H]1C ZINC001143860536 1137205090 /nfs/dbraw/zinc/20/50/90/1137205090.db2.gz QCXSQYJLEYFGGA-VHSXEESVSA-N 1 2 334.218 3.906 20 0 EHADLO CC(=O)N1CC[C@@H]([N@@H+](Cc2c(F)ccc(Cl)c2Cl)C(C)C)C1 ZINC001143866881 1137206432 /nfs/dbraw/zinc/20/64/32/1137206432.db2.gz OERNGWGKIVWIDO-GFCCVEGCSA-N 1 2 347.261 3.964 20 0 EHADLO CC(=O)N1CC[C@@H]([N@H+](Cc2c(F)ccc(Cl)c2Cl)C(C)C)C1 ZINC001143866881 1137206434 /nfs/dbraw/zinc/20/64/34/1137206434.db2.gz OERNGWGKIVWIDO-GFCCVEGCSA-N 1 2 347.261 3.964 20 0 EHADLO COc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1OC1CCCC1 ZINC000844314346 1137211937 /nfs/dbraw/zinc/21/19/37/1137211937.db2.gz CVEOBPCJEPEOOE-CQSZACIVSA-N 1 2 343.427 3.803 20 0 EHADLO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049801 1137213068 /nfs/dbraw/zinc/21/30/68/1137213068.db2.gz LMXKPIQBZUZVGO-NEPJUHHUSA-N 1 2 326.282 3.820 20 0 EHADLO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049801 1137213069 /nfs/dbraw/zinc/21/30/69/1137213069.db2.gz LMXKPIQBZUZVGO-NEPJUHHUSA-N 1 2 326.282 3.820 20 0 EHADLO Cc1c(C[N@H+]2CCN(C)c3ncccc3C2)cccc1C(F)(F)F ZINC001143924885 1137215636 /nfs/dbraw/zinc/21/56/36/1137215636.db2.gz QQGZANYUMIRKKX-UHFFFAOYSA-N 1 2 335.373 3.861 20 0 EHADLO Cc1c(C[N@@H+]2CCN(C)c3ncccc3C2)cccc1C(F)(F)F ZINC001143924885 1137215637 /nfs/dbraw/zinc/21/56/37/1137215637.db2.gz QQGZANYUMIRKKX-UHFFFAOYSA-N 1 2 335.373 3.861 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383960 1137215890 /nfs/dbraw/zinc/21/58/90/1137215890.db2.gz BHKVFPQXOUTHNY-CABCVRRESA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383960 1137215891 /nfs/dbraw/zinc/21/58/91/1137215891.db2.gz BHKVFPQXOUTHNY-CABCVRRESA-N 1 2 329.362 3.821 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1Br ZINC000844485287 1137225470 /nfs/dbraw/zinc/22/54/70/1137225470.db2.gz BVORJVWHBBPDMH-GFCCVEGCSA-N 1 2 336.233 3.568 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001143996603 1137226696 /nfs/dbraw/zinc/22/66/96/1137226696.db2.gz CZONBFKCYAAFIO-UONOGXRCSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001143996603 1137226698 /nfs/dbraw/zinc/22/66/98/1137226698.db2.gz CZONBFKCYAAFIO-UONOGXRCSA-N 1 2 339.304 3.866 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1)n1cc[nH+]c1 ZINC000844513690 1137232342 /nfs/dbraw/zinc/23/23/42/1137232342.db2.gz VRJVGYZTWPQAKB-QWRGUYRKSA-N 1 2 327.306 3.552 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(Br)c1 ZINC000844538879 1137235433 /nfs/dbraw/zinc/23/54/33/1137235433.db2.gz FLGOSEHGQWTOSC-GFCCVEGCSA-N 1 2 336.233 3.568 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1cccnc1 ZINC000794704250 1137236071 /nfs/dbraw/zinc/23/60/71/1137236071.db2.gz DXUIAQUMLFKOKR-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1cccnc1 ZINC000794704250 1137236073 /nfs/dbraw/zinc/23/60/73/1137236073.db2.gz DXUIAQUMLFKOKR-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1cccnc1 ZINC000794704253 1137236123 /nfs/dbraw/zinc/23/61/23/1137236123.db2.gz DXUIAQUMLFKOKR-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1cccnc1 ZINC000794704253 1137236124 /nfs/dbraw/zinc/23/61/24/1137236124.db2.gz DXUIAQUMLFKOKR-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000844680347 1137246318 /nfs/dbraw/zinc/24/63/18/1137246318.db2.gz ZEABQFPSXGBJNM-OAHLLOKOSA-N 1 2 341.480 3.936 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000844680347 1137246319 /nfs/dbraw/zinc/24/63/19/1137246319.db2.gz ZEABQFPSXGBJNM-OAHLLOKOSA-N 1 2 341.480 3.936 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686444 1137246765 /nfs/dbraw/zinc/24/67/65/1137246765.db2.gz PWZXKMPEPJIVIH-NSHDSACASA-N 1 2 325.865 3.559 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686444 1137246766 /nfs/dbraw/zinc/24/67/66/1137246766.db2.gz PWZXKMPEPJIVIH-NSHDSACASA-N 1 2 325.865 3.559 20 0 EHADLO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000844719683 1137247769 /nfs/dbraw/zinc/24/77/69/1137247769.db2.gz QMQHPRIEPNOIJW-LJQANCHMSA-N 1 2 346.471 3.549 20 0 EHADLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000844719683 1137247771 /nfs/dbraw/zinc/24/77/71/1137247771.db2.gz QMQHPRIEPNOIJW-LJQANCHMSA-N 1 2 346.471 3.549 20 0 EHADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccc(SC2CCCC2)cc1 ZINC000864822029 1137247811 /nfs/dbraw/zinc/24/78/11/1137247811.db2.gz WZAABZYBRQXTHX-ZZXKWVIFSA-N 1 2 346.496 3.548 20 0 EHADLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CN1C(=O)CC12CCCC2 ZINC000844697349 1137248364 /nfs/dbraw/zinc/24/83/64/1137248364.db2.gz OHLKQLDRKDYADW-UHFFFAOYSA-N 1 2 342.361 3.520 20 0 EHADLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)CN1C(=O)CC12CCCC2 ZINC000844697349 1137248365 /nfs/dbraw/zinc/24/83/65/1137248365.db2.gz OHLKQLDRKDYADW-UHFFFAOYSA-N 1 2 342.361 3.520 20 0 EHADLO Brc1ccc2c(c1)CC[N@@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC001144169208 1137248538 /nfs/dbraw/zinc/24/85/38/1137248538.db2.gz ZZZNUVKEMLRWQG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)CC[N@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC001144169208 1137248539 /nfs/dbraw/zinc/24/85/39/1137248539.db2.gz ZZZNUVKEMLRWQG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000120261019 1137249015 /nfs/dbraw/zinc/24/90/15/1137249015.db2.gz NXDOCMRRPRJJSH-MRXNPFEDSA-N 1 2 328.485 3.758 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000120261019 1137249017 /nfs/dbraw/zinc/24/90/17/1137249017.db2.gz NXDOCMRRPRJJSH-MRXNPFEDSA-N 1 2 328.485 3.758 20 0 EHADLO C[N@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ncccc1C(F)(F)F ZINC001144191149 1137249242 /nfs/dbraw/zinc/24/92/42/1137249242.db2.gz GESVGQQFKJDQLA-UHFFFAOYSA-N 1 2 338.308 3.748 20 0 EHADLO C[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ncccc1C(F)(F)F ZINC001144191149 1137249244 /nfs/dbraw/zinc/24/92/44/1137249244.db2.gz GESVGQQFKJDQLA-UHFFFAOYSA-N 1 2 338.308 3.748 20 0 EHADLO CC(C)Oc1nn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844747816 1137249384 /nfs/dbraw/zinc/24/93/84/1137249384.db2.gz NXVGAGKIWPTOER-LBPRGKRZSA-N 1 2 335.445 3.540 20 0 EHADLO CC(C)Oc1nn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844747816 1137249386 /nfs/dbraw/zinc/24/93/86/1137249386.db2.gz NXVGAGKIWPTOER-LBPRGKRZSA-N 1 2 335.445 3.540 20 0 EHADLO Cc1ccccc1O[C@H]1CC[N@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196360 1137249880 /nfs/dbraw/zinc/24/98/80/1137249880.db2.gz DDAYHAPVHGIQGM-HNNXBMFYSA-N 1 2 325.387 3.664 20 0 EHADLO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196360 1137249881 /nfs/dbraw/zinc/24/98/81/1137249881.db2.gz DDAYHAPVHGIQGM-HNNXBMFYSA-N 1 2 325.387 3.664 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC(OCc4ccccc4)CC3)c2c1 ZINC001144196788 1137249932 /nfs/dbraw/zinc/24/99/32/1137249932.db2.gz MERDYLMEACUZKS-UHFFFAOYSA-N 1 2 339.414 3.883 20 0 EHADLO CC(C)(CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000865140913 1137264971 /nfs/dbraw/zinc/26/49/71/1137264971.db2.gz LLKSRYIDHFLPTE-AWEZNQCLSA-N 1 2 329.419 3.623 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865159353 1137265893 /nfs/dbraw/zinc/26/58/93/1137265893.db2.gz QCQLNJUXATXYNM-NSHDSACASA-N 1 2 346.843 3.624 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000845185788 1137278925 /nfs/dbraw/zinc/27/89/25/1137278925.db2.gz FQTKHDJKWBFPAA-HOCLYGCPSA-N 1 2 347.846 3.558 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(Cl)nc1C(F)(F)F)n1cc[nH+]c1 ZINC000845286132 1137283495 /nfs/dbraw/zinc/28/34/95/1137283495.db2.gz VMAKFLHNWWUWSZ-VIFPVBQESA-N 1 2 347.724 3.645 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000845286612 1137283790 /nfs/dbraw/zinc/28/37/90/1137283790.db2.gz QUVGACUWKRJHSS-NEPJUHHUSA-N 1 2 337.217 3.901 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1Cl ZINC000865465351 1137286365 /nfs/dbraw/zinc/28/63/65/1137286365.db2.gz XWCXZTMXEAPYMS-YJBOKZPZSA-N 1 2 348.878 3.597 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc3c(F)cccc3c2)cs1 ZINC000865488199 1137288171 /nfs/dbraw/zinc/28/81/71/1137288171.db2.gz XECMKIWXHLYFCB-LLVKDONJSA-N 1 2 331.416 3.828 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001144425647 1137289928 /nfs/dbraw/zinc/28/99/28/1137289928.db2.gz WJVKQGWRSVHFSE-NVXWUHKLSA-N 1 2 336.426 3.512 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000865519639 1137291159 /nfs/dbraw/zinc/29/11/59/1137291159.db2.gz QBNRVDDGHSEQDA-LBPRGKRZSA-N 1 2 334.261 3.961 20 0 EHADLO CCOc1c(C)cc(COC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000845458347 1137293172 /nfs/dbraw/zinc/29/31/72/1137293172.db2.gz HXQXSPHPOICKFM-UHFFFAOYSA-N 1 2 342.439 3.521 20 0 EHADLO CC(C)(C)OC(=O)NCc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000865548312 1137294209 /nfs/dbraw/zinc/29/42/09/1137294209.db2.gz CVNQGZOGCRNOIJ-UHFFFAOYSA-N 1 2 328.403 3.845 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1F ZINC001144451353 1137295535 /nfs/dbraw/zinc/29/55/35/1137295535.db2.gz RWGAXBPVWVOQCO-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1F ZINC001144451353 1137295536 /nfs/dbraw/zinc/29/55/36/1137295536.db2.gz RWGAXBPVWVOQCO-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Oc1cccc(Oc2cccnc2)c1 ZINC000845503847 1137295561 /nfs/dbraw/zinc/29/55/61/1137295561.db2.gz JONBJXLGAZQADX-UHFFFAOYSA-N 1 2 349.390 3.555 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845522714 1137296851 /nfs/dbraw/zinc/29/68/51/1137296851.db2.gz LDPYBEWCBQBRBC-SFHVURJKSA-N 1 2 326.440 3.572 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cccc(-c2ccccn2)c1 ZINC000845559704 1137297986 /nfs/dbraw/zinc/29/79/86/1137297986.db2.gz QZMMBIJGFQBVJS-UHFFFAOYSA-N 1 2 347.418 3.567 20 0 EHADLO C[C@@H](CC(=O)OC[C@@H]1CCN(c2ccccc2Cl)C1)n1cc[nH+]c1 ZINC000845580113 1137299700 /nfs/dbraw/zinc/29/97/00/1137299700.db2.gz ZFFXPTBVRRVIMD-LSDHHAIUSA-N 1 2 347.846 3.557 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(OC)c1 ZINC001144489792 1137300266 /nfs/dbraw/zinc/30/02/66/1137300266.db2.gz OQXQOAUXSDEMIR-SFHVURJKSA-N 1 2 347.842 3.565 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(OC)c1 ZINC001144489792 1137300268 /nfs/dbraw/zinc/30/02/68/1137300268.db2.gz OQXQOAUXSDEMIR-SFHVURJKSA-N 1 2 347.842 3.565 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+]Cc1nn(C)cc1C(F)F ZINC000865806530 1137312999 /nfs/dbraw/zinc/31/29/99/1137312999.db2.gz BRCCGIMTXMGEKX-UHFFFAOYSA-N 1 2 331.366 3.809 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cscc2C(F)(F)F)n1 ZINC000865807843 1137313373 /nfs/dbraw/zinc/31/33/73/1137313373.db2.gz SFPYMQGSFRCJOX-UHFFFAOYSA-N 1 2 325.306 3.728 20 0 EHADLO COc1ccccc1S[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625938 1137318153 /nfs/dbraw/zinc/31/81/53/1137318153.db2.gz WOTLFEZNZOASCA-OAHLLOKOSA-N 1 2 339.464 3.710 20 0 EHADLO C[N@H+](CCOc1ccccc1C(C)(C)C)CN1CCSC1=S ZINC000794880774 1137320008 /nfs/dbraw/zinc/32/00/08/1137320008.db2.gz HLIVWFIYGGOHIH-UHFFFAOYSA-N 1 2 338.542 3.586 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(C)(C)C)CN1CCSC1=S ZINC000794880774 1137320010 /nfs/dbraw/zinc/32/00/10/1137320010.db2.gz HLIVWFIYGGOHIH-UHFFFAOYSA-N 1 2 338.542 3.586 20 0 EHADLO COc1cc(F)c(C[NH2+]Cc2c(F)cc(F)cc2F)cc1OC ZINC000845978478 1137322866 /nfs/dbraw/zinc/32/28/66/1137322866.db2.gz VSLKBSRDCBPXTL-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000794893261 1137325641 /nfs/dbraw/zinc/32/56/41/1137325641.db2.gz VZCYOVYKPOXGEI-GOSISDBHSA-N 1 2 346.475 3.818 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000794893261 1137325642 /nfs/dbraw/zinc/32/56/42/1137325642.db2.gz VZCYOVYKPOXGEI-GOSISDBHSA-N 1 2 346.475 3.818 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794891566 1137327595 /nfs/dbraw/zinc/32/75/95/1137327595.db2.gz GMJANXZXUDDVCT-SFHVURJKSA-N 1 2 346.475 3.589 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794891566 1137327597 /nfs/dbraw/zinc/32/75/97/1137327597.db2.gz GMJANXZXUDDVCT-SFHVURJKSA-N 1 2 346.475 3.589 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866220862 1137335955 /nfs/dbraw/zinc/33/59/55/1137335955.db2.gz LETAILNMXCEATR-IEBWSBKVSA-N 1 2 342.414 3.843 20 0 EHADLO COC(=O)[C@@H](Nc1cc(C)cn2cc[nH+]c12)c1ccccc1Cl ZINC001171215305 1137338062 /nfs/dbraw/zinc/33/80/62/1137338062.db2.gz YUYFCUYJGZNGDR-HNNXBMFYSA-N 1 2 329.787 3.622 20 0 EHADLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144732525 1137339441 /nfs/dbraw/zinc/33/94/41/1137339441.db2.gz YUWKRRBFLWMNAQ-UHFFFAOYSA-N 1 2 344.833 3.840 20 0 EHADLO Cc1[nH+]cc(CN[C@H]2c3ccccc3OC[C@H]2F)n1-c1ccccc1 ZINC000866275051 1137341823 /nfs/dbraw/zinc/34/18/23/1137341823.db2.gz DOJJUMBVKLSCEC-QUCCMNQESA-N 1 2 337.398 3.742 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001144754858 1137342858 /nfs/dbraw/zinc/34/28/58/1137342858.db2.gz OZOYLULQXWDGDB-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001144754858 1137342861 /nfs/dbraw/zinc/34/28/61/1137342861.db2.gz OZOYLULQXWDGDB-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1ncc[nH]1 ZINC000846210442 1137343172 /nfs/dbraw/zinc/34/31/72/1137343172.db2.gz YEDIZYPPUJMGKT-APHBMKBZSA-N 1 2 327.428 3.631 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866293537 1137343303 /nfs/dbraw/zinc/34/33/03/1137343303.db2.gz RPAKGHJVJNENPC-YJBOKZPZSA-N 1 2 337.341 3.892 20 0 EHADLO Fc1ccc(NCCC2CCC3(CC2)OCCO3)cc1-n1cc[nH+]c1 ZINC001171225510 1137351510 /nfs/dbraw/zinc/35/15/10/1137351510.db2.gz WVLOSBBQKLWJLI-UHFFFAOYSA-N 1 2 345.418 3.747 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2cccc(Cl)c2F)on1 ZINC000866515063 1137360530 /nfs/dbraw/zinc/36/05/30/1137360530.db2.gz ZOIDPKMHFCPDJN-ZDUSSCGKSA-N 1 2 340.782 3.885 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000846653356 1137360655 /nfs/dbraw/zinc/36/06/55/1137360655.db2.gz DLFIBUWBUZXBAQ-BZUAXINKSA-N 1 2 327.428 3.626 20 0 EHADLO C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000846753028 1137364796 /nfs/dbraw/zinc/36/47/96/1137364796.db2.gz YXGCASQWSGJBNL-QGZVFWFLSA-N 1 2 348.450 3.882 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2noc3cc(F)ccc23)c1 ZINC000866611630 1137369024 /nfs/dbraw/zinc/36/90/24/1137369024.db2.gz WFLKIVZVOGAMAI-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cnsn3)s2)cc1 ZINC000846854236 1137372139 /nfs/dbraw/zinc/37/21/39/1137372139.db2.gz CWAVMTNRGQVZRC-SNVBAGLBSA-N 1 2 346.481 3.829 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ncc(-c2ccc(F)cc2)o1)OCC ZINC000846971374 1137377717 /nfs/dbraw/zinc/37/77/17/1137377717.db2.gz UTJNJSIWDIXEDK-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ncc(-c2ccc(F)cc2)o1)OCC ZINC000846971374 1137377718 /nfs/dbraw/zinc/37/77/18/1137377718.db2.gz UTJNJSIWDIXEDK-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c(=S)n1Cc1ccccc1 ZINC000121847857 1137387122 /nfs/dbraw/zinc/38/71/22/1137387122.db2.gz FSJCBHKDAHXMCA-UHFFFAOYSA-N 1 2 328.485 3.604 20 0 EHADLO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c(=S)n1Cc1ccccc1 ZINC000121847857 1137387124 /nfs/dbraw/zinc/38/71/24/1137387124.db2.gz FSJCBHKDAHXMCA-UHFFFAOYSA-N 1 2 328.485 3.604 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@@H+]1CCC2(CCC2)C1 ZINC000121924506 1137390217 /nfs/dbraw/zinc/39/02/17/1137390217.db2.gz HWFNKBQFOQFMAC-UHFFFAOYSA-N 1 2 334.514 3.552 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@H+]1CCC2(CCC2)C1 ZINC000121924506 1137390219 /nfs/dbraw/zinc/39/02/19/1137390219.db2.gz HWFNKBQFOQFMAC-UHFFFAOYSA-N 1 2 334.514 3.552 20 0 EHADLO CC[C@H](C(=O)N1c2ccccc2C(C)(C)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001147349125 1137404888 /nfs/dbraw/zinc/40/48/88/1137404888.db2.gz MLIAYSYXCXOPKV-LZLYRXPVSA-N 1 2 344.499 3.589 20 0 EHADLO CC[C@H](C(=O)N1c2ccccc2C(C)(C)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001147349125 1137404890 /nfs/dbraw/zinc/40/48/90/1137404890.db2.gz MLIAYSYXCXOPKV-LZLYRXPVSA-N 1 2 344.499 3.589 20 0 EHADLO CCC(CC)(CNC(=O)NCc1c[nH+]c(C)cc1C)C(F)(F)F ZINC000868686288 1137419540 /nfs/dbraw/zinc/41/95/40/1137419540.db2.gz WZMHQVRLMCJBFF-UHFFFAOYSA-N 1 2 331.382 3.866 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001148580649 1137429060 /nfs/dbraw/zinc/42/90/60/1137429060.db2.gz LNFXKJGSLTXGHZ-XLIONFOSSA-N 1 2 339.483 3.901 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCc3oc(C)nc3C1)CC2 ZINC001171334292 1137429250 /nfs/dbraw/zinc/42/92/50/1137429250.db2.gz QNTPMDZKCMVPNH-GFCCVEGCSA-N 1 2 332.831 3.561 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCc3oc(C)nc3C1)CC2 ZINC001171334292 1137429251 /nfs/dbraw/zinc/42/92/51/1137429251.db2.gz QNTPMDZKCMVPNH-GFCCVEGCSA-N 1 2 332.831 3.561 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869103690 1137436761 /nfs/dbraw/zinc/43/67/61/1137436761.db2.gz QHJGDMRCYXJCPA-AUUYWEPGSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869103690 1137436762 /nfs/dbraw/zinc/43/67/62/1137436762.db2.gz QHJGDMRCYXJCPA-AUUYWEPGSA-N 1 2 341.430 3.715 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000869104382 1137437173 /nfs/dbraw/zinc/43/71/73/1137437173.db2.gz HLHWSJBFXXWBEK-DLBZAZTESA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000869104382 1137437174 /nfs/dbraw/zinc/43/71/74/1137437174.db2.gz HLHWSJBFXXWBEK-DLBZAZTESA-N 1 2 341.480 3.781 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000282784550 1137450944 /nfs/dbraw/zinc/45/09/44/1137450944.db2.gz LHFCCJSORCXYKH-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000282784550 1137450946 /nfs/dbraw/zinc/45/09/46/1137450946.db2.gz LHFCCJSORCXYKH-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)cnn1C ZINC000348211696 1137452449 /nfs/dbraw/zinc/45/24/49/1137452449.db2.gz GQHNWOBYOJXUCB-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000795101065 1137478492 /nfs/dbraw/zinc/47/84/92/1137478492.db2.gz PLXIWNQHEVIOQW-GROCXKSISA-N 1 2 335.275 3.637 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000795101065 1137478494 /nfs/dbraw/zinc/47/84/94/1137478494.db2.gz PLXIWNQHEVIOQW-GROCXKSISA-N 1 2 335.275 3.637 20 0 EHADLO Cc1ccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000145100788 1137482716 /nfs/dbraw/zinc/48/27/16/1137482716.db2.gz OOBYBKQLCHGXTF-INIZCTEOSA-N 1 2 330.501 3.901 20 0 EHADLO c1cnn(-c2ccc(CNc3cc4c5c(c3)CCC[NH+]5CCC4)cn2)c1 ZINC001171435873 1137482962 /nfs/dbraw/zinc/48/29/62/1137482962.db2.gz WHQMEIUYIVIPGR-UHFFFAOYSA-N 1 2 345.450 3.578 20 0 EHADLO Fc1cccc2c1CC[C@@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001171437961 1137483969 /nfs/dbraw/zinc/48/39/69/1137483969.db2.gz NZLLCMGUXSVXNA-CQSZACIVSA-N 1 2 347.231 3.856 20 0 EHADLO Fc1cccc2c1CC[C@@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001171437961 1137483971 /nfs/dbraw/zinc/48/39/71/1137483971.db2.gz NZLLCMGUXSVXNA-CQSZACIVSA-N 1 2 347.231 3.856 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC001171502055 1137494733 /nfs/dbraw/zinc/49/47/33/1137494733.db2.gz PUOQCYLPSYAAPC-GOSISDBHSA-N 1 2 344.361 3.833 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001171778825 1137510090 /nfs/dbraw/zinc/51/00/90/1137510090.db2.gz PZAWUJHJIOPJHU-MRXNPFEDSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001171778825 1137510092 /nfs/dbraw/zinc/51/00/92/1137510092.db2.gz PZAWUJHJIOPJHU-MRXNPFEDSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171820974 1137511695 /nfs/dbraw/zinc/51/16/95/1137511695.db2.gz NKFFBMAFRHRISL-LYYZXLFJSA-N 1 2 346.462 3.935 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Br)cc(F)c1F)C2 ZINC001171833972 1137515059 /nfs/dbraw/zinc/51/50/59/1137515059.db2.gz MCGNFBHVPHZOOP-GASCZTMLSA-N 1 2 346.215 3.586 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Br)cc(F)c1F)C2 ZINC001171833972 1137515058 /nfs/dbraw/zinc/51/50/58/1137515058.db2.gz MCGNFBHVPHZOOP-GASCZTMLSA-N 1 2 346.215 3.586 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001171959329 1137519179 /nfs/dbraw/zinc/51/91/79/1137519179.db2.gz VWZHVRFXGZSPMY-SMDDNHRTSA-N 1 2 331.378 3.814 20 0 EHADLO CCCCCOC(=O)C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965766 1137520262 /nfs/dbraw/zinc/52/02/62/1137520262.db2.gz SFGBMGBNIOTQKL-ZDUSSCGKSA-N 1 2 331.378 3.959 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001204081411 1137529509 /nfs/dbraw/zinc/52/95/09/1137529509.db2.gz NKWWDDMMQXTXSS-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172348312 1137553274 /nfs/dbraw/zinc/55/32/74/1137553274.db2.gz PNFGMSCBAORXBC-QWQRMKEZSA-N 1 2 327.415 3.932 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172348312 1137553275 /nfs/dbraw/zinc/55/32/75/1137553275.db2.gz PNFGMSCBAORXBC-QWQRMKEZSA-N 1 2 327.415 3.932 20 0 EHADLO CCOCC[C@H](C)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172424269 1137556661 /nfs/dbraw/zinc/55/66/61/1137556661.db2.gz CXWIKOWGNQDVGH-DLBZAZTESA-N 1 2 349.519 3.782 20 0 EHADLO CCOCC[C@H](C)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172424269 1137556662 /nfs/dbraw/zinc/55/66/62/1137556662.db2.gz CXWIKOWGNQDVGH-DLBZAZTESA-N 1 2 349.519 3.782 20 0 EHADLO CC(C)(C)c1cn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000871988448 1137564076 /nfs/dbraw/zinc/56/40/76/1137564076.db2.gz CIMAWLCNOBGTNQ-FUHWJXTLSA-N 1 2 328.456 3.636 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccc(O)c1F ZINC000872021007 1137564978 /nfs/dbraw/zinc/56/49/78/1137564978.db2.gz MOWZYQVTOUBEMT-SNVBAGLBSA-N 1 2 344.308 3.718 20 0 EHADLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cc(O)ccc1F ZINC000872082963 1137570327 /nfs/dbraw/zinc/57/03/27/1137570327.db2.gz FGKVEXCFTJTTRZ-IFXJQAMLSA-N 1 2 339.414 3.899 20 0 EHADLO COC[C@]1(c2nc(CCCc3ccccc3Cl)no2)CCCC[NH2+]1 ZINC000872174155 1137575235 /nfs/dbraw/zinc/57/52/35/1137575235.db2.gz FUVLENVUHGXIKQ-SFHVURJKSA-N 1 2 349.862 3.514 20 0 EHADLO [NH3+][C@H](c1nc([C@@H]2CCCS2)no1)c1cccc(C(F)(F)F)c1 ZINC000872175029 1137575282 /nfs/dbraw/zinc/57/52/82/1137575282.db2.gz IRRBNUJTCVYAEW-QWRGUYRKSA-N 1 2 329.347 3.705 20 0 EHADLO COC[C@@]1(c2nc(C(C)(C)c3ccccc3Cl)no2)CCCC[NH2+]1 ZINC000872180203 1137575369 /nfs/dbraw/zinc/57/53/69/1137575369.db2.gz MWLGIGOZALHVJW-GOSISDBHSA-N 1 2 349.862 3.664 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2coc(C(C)(C)C)n2)n1 ZINC000874149643 1137610997 /nfs/dbraw/zinc/61/09/97/1137610997.db2.gz QJCWXFGJSANYSL-UHFFFAOYSA-N 1 2 336.461 3.523 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874897004 1137625721 /nfs/dbraw/zinc/62/57/21/1137625721.db2.gz VXBFSXHAZJVIHR-OAHLLOKOSA-N 1 2 347.459 3.501 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)ccc1Br ZINC001137616664 1137629343 /nfs/dbraw/zinc/62/93/43/1137629343.db2.gz WGSDJSUACRMSCY-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1Br ZINC001137616664 1137629344 /nfs/dbraw/zinc/62/93/44/1137629344.db2.gz WGSDJSUACRMSCY-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ncc(Cl)s1 ZINC001137103793 1137647483 /nfs/dbraw/zinc/64/74/83/1137647483.db2.gz JJBYNHFOFRCOPN-UHFFFAOYSA-N 1 2 335.782 3.885 20 0 EHADLO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ncc(Cl)s1 ZINC001137103793 1137647484 /nfs/dbraw/zinc/64/74/84/1137647484.db2.gz JJBYNHFOFRCOPN-UHFFFAOYSA-N 1 2 335.782 3.885 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]2CCCC[C@@H]12 ZINC001137105498 1137649159 /nfs/dbraw/zinc/64/91/59/1137649159.db2.gz WHNMCHCZODDONH-UPJWGTAASA-N 1 2 342.892 3.598 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]2CCCC[C@@H]12 ZINC001137105498 1137649160 /nfs/dbraw/zinc/64/91/60/1137649160.db2.gz WHNMCHCZODDONH-UPJWGTAASA-N 1 2 342.892 3.598 20 0 EHADLO Oc1ccccc1N1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876526857 1137654733 /nfs/dbraw/zinc/65/47/33/1137654733.db2.gz IFXCZYDTFKXBBD-UHFFFAOYSA-N 1 2 343.814 3.509 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876636206 1137657821 /nfs/dbraw/zinc/65/78/21/1137657821.db2.gz SOKNRRNRJUQKHQ-UHFFFAOYSA-N 1 2 327.266 3.624 20 0 EHADLO Clc1cncc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000876650444 1137658167 /nfs/dbraw/zinc/65/81/67/1137658167.db2.gz SSQBUBNAJTWPTH-ZDUSSCGKSA-N 1 2 345.270 3.548 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCO[C@@H](C)C3)cc2)c1C ZINC000876866064 1137664219 /nfs/dbraw/zinc/66/42/19/1137664219.db2.gz MYAUYTHFSUKISH-HNNXBMFYSA-N 1 2 341.455 3.544 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000877069065 1137669406 /nfs/dbraw/zinc/66/94/06/1137669406.db2.gz FYRTULDAIOHMAC-LBPRGKRZSA-N 1 2 343.185 3.759 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)c(O[C@H]2CCOC2)c1 ZINC000877086959 1137669989 /nfs/dbraw/zinc/66/99/89/1137669989.db2.gz CSBAQBAPZAVZSP-ZDUSSCGKSA-N 1 2 338.860 3.562 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cc(C)cc(NC(=O)OC(C)(C)C)c2)o1 ZINC000877569892 1137681510 /nfs/dbraw/zinc/68/15/10/1137681510.db2.gz CQTYXPAMNZOLAA-UHFFFAOYSA-N 1 2 331.416 3.928 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2nc(Cl)ccc2Br)cn1 ZINC000877572872 1137681701 /nfs/dbraw/zinc/68/17/01/1137681701.db2.gz SGKKVDCNVKQYHU-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO FC(F)(F)[C@@H](C[NH2+]Cc1nc(Cl)cs1)OC1CCCC1 ZINC000877624067 1137683267 /nfs/dbraw/zinc/68/32/67/1137683267.db2.gz ILAIIRQHNXIPDC-SECBINFHSA-N 1 2 328.787 3.776 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000877663645 1137684951 /nfs/dbraw/zinc/68/49/51/1137684951.db2.gz WVXUKFGVROZRIB-OAHLLOKOSA-N 1 2 349.475 3.821 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000877663645 1137684952 /nfs/dbraw/zinc/68/49/52/1137684952.db2.gz WVXUKFGVROZRIB-OAHLLOKOSA-N 1 2 349.475 3.821 20 0 EHADLO CCCCn1nc(C)c(C[NH+]2CC(COC)(C3CC3)C2)c1Cl ZINC000877685733 1137685868 /nfs/dbraw/zinc/68/58/68/1137685868.db2.gz GINQUIKQHSUCAR-UHFFFAOYSA-N 1 2 325.884 3.503 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)nn1C ZINC000877784457 1137689939 /nfs/dbraw/zinc/68/99/39/1137689939.db2.gz QXPSQEPYZOYAKI-ZDUSSCGKSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)nn1C ZINC000877784457 1137689940 /nfs/dbraw/zinc/68/99/40/1137689940.db2.gz QXPSQEPYZOYAKI-ZDUSSCGKSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)nn1C ZINC000877784457 1137689941 /nfs/dbraw/zinc/68/99/41/1137689941.db2.gz QXPSQEPYZOYAKI-ZDUSSCGKSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)nn1C ZINC000877784457 1137689942 /nfs/dbraw/zinc/68/99/42/1137689942.db2.gz QXPSQEPYZOYAKI-ZDUSSCGKSA-N 1 2 335.883 3.608 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)CCO1 ZINC000877821164 1137691658 /nfs/dbraw/zinc/69/16/58/1137691658.db2.gz LGJDBJNIRYUVNO-GFCCVEGCSA-N 1 2 334.725 3.634 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)CCO1 ZINC000877821164 1137691659 /nfs/dbraw/zinc/69/16/59/1137691659.db2.gz LGJDBJNIRYUVNO-GFCCVEGCSA-N 1 2 334.725 3.634 20 0 EHADLO C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877822739 1137691835 /nfs/dbraw/zinc/69/18/35/1137691835.db2.gz HWOWBSNTTOIHFB-WFASDCNBSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877822739 1137691836 /nfs/dbraw/zinc/69/18/36/1137691836.db2.gz HWOWBSNTTOIHFB-WFASDCNBSA-N 1 2 340.345 3.883 20 0 EHADLO COC(=O)[C@H](C)C[N@H+](Cc1scnc1Cl)Cc1ccccc1 ZINC000878036024 1137700231 /nfs/dbraw/zinc/70/02/31/1137700231.db2.gz IKKWBXZUXWVTNP-GFCCVEGCSA-N 1 2 338.860 3.608 20 0 EHADLO COC(=O)[C@H](C)C[N@@H+](Cc1scnc1Cl)Cc1ccccc1 ZINC000878036024 1137700232 /nfs/dbraw/zinc/70/02/32/1137700232.db2.gz IKKWBXZUXWVTNP-GFCCVEGCSA-N 1 2 338.860 3.608 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878081659 1137701554 /nfs/dbraw/zinc/70/15/54/1137701554.db2.gz GJGWWGNYYMQQFV-WOJBJXKFSA-N 1 2 337.419 3.709 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878081659 1137701555 /nfs/dbraw/zinc/70/15/55/1137701555.db2.gz GJGWWGNYYMQQFV-WOJBJXKFSA-N 1 2 337.419 3.709 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccccc1F ZINC000878174488 1137705711 /nfs/dbraw/zinc/70/57/11/1137705711.db2.gz PYEMCFADCRUZDF-BBRMVZONSA-N 1 2 333.428 3.658 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccccc1F ZINC000878174488 1137705712 /nfs/dbraw/zinc/70/57/12/1137705712.db2.gz PYEMCFADCRUZDF-BBRMVZONSA-N 1 2 333.428 3.658 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)cn1 ZINC000878290899 1137710125 /nfs/dbraw/zinc/71/01/25/1137710125.db2.gz WTGAVTRIDRNLES-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)cn1 ZINC000878290899 1137710126 /nfs/dbraw/zinc/71/01/26/1137710126.db2.gz WTGAVTRIDRNLES-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC000878372121 1137713360 /nfs/dbraw/zinc/71/33/60/1137713360.db2.gz BUEWAYDBTBKJED-MRXNPFEDSA-N 1 2 328.412 3.582 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc([S@@](C)=O)cc1 ZINC000878376156 1137713523 /nfs/dbraw/zinc/71/35/23/1137713523.db2.gz NCQKQVLSWXCYDT-RKNYENMMSA-N 1 2 346.496 3.778 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)[C@H]2CCc3ccccc32)nc1-c1ccco1 ZINC000022758625 1137718713 /nfs/dbraw/zinc/71/87/13/1137718713.db2.gz JEMOOWAFWLNZGJ-HNNXBMFYSA-N 1 2 340.452 3.788 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)[C@H]2CCc3ccccc32)nc1-c1ccco1 ZINC000022758625 1137718714 /nfs/dbraw/zinc/71/87/14/1137718714.db2.gz JEMOOWAFWLNZGJ-HNNXBMFYSA-N 1 2 340.452 3.788 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1ncccc1Br)c1ccccc1 ZINC000878520468 1137718731 /nfs/dbraw/zinc/71/87/31/1137718731.db2.gz INCVRETXZROCGD-INIZCTEOSA-N 1 2 349.272 3.694 20 0 EHADLO Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1Cl ZINC000878527921 1137719061 /nfs/dbraw/zinc/71/90/61/1137719061.db2.gz ITNFRUUPVWSNOF-UHFFFAOYSA-N 1 2 344.890 3.956 20 0 EHADLO Cc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)nc1Cl ZINC000878527921 1137719063 /nfs/dbraw/zinc/71/90/63/1137719063.db2.gz ITNFRUUPVWSNOF-UHFFFAOYSA-N 1 2 344.890 3.956 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679299 1137724775 /nfs/dbraw/zinc/72/47/75/1137724775.db2.gz YRXIEOBBRXQCFK-HIFRSBDPSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679299 1137724776 /nfs/dbraw/zinc/72/47/76/1137724776.db2.gz YRXIEOBBRXQCFK-HIFRSBDPSA-N 1 2 338.879 3.722 20 0 EHADLO O=C(CC[C@H]1CCc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000878737762 1137726780 /nfs/dbraw/zinc/72/67/80/1137726780.db2.gz ZGDSWJIRFSTJPI-GOSISDBHSA-N 1 2 337.467 3.900 20 0 EHADLO Cc1cccc(C2([NH2+]Cc3nnc(-c4ccccc4O)o3)CCC2)c1 ZINC000878761582 1137727483 /nfs/dbraw/zinc/72/74/83/1137727483.db2.gz OAXIVFHHCIRZGF-UHFFFAOYSA-N 1 2 335.407 3.920 20 0 EHADLO O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878793355 1137728246 /nfs/dbraw/zinc/72/82/46/1137728246.db2.gz CAGRGFBLKKGZDZ-UHFFFAOYSA-N 1 2 330.815 3.538 20 0 EHADLO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878793355 1137728247 /nfs/dbraw/zinc/72/82/47/1137728247.db2.gz CAGRGFBLKKGZDZ-UHFFFAOYSA-N 1 2 330.815 3.538 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](C)c3ccccc32)c1C ZINC000127456261 1137734974 /nfs/dbraw/zinc/73/49/74/1137734974.db2.gz RLRODNJTEIRLKX-CYBMUJFWSA-N 1 2 325.412 3.540 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC(F)CC1 ZINC000879032563 1137736072 /nfs/dbraw/zinc/73/60/72/1137736072.db2.gz AECCTIXODAFYIY-UHFFFAOYSA-N 1 2 340.402 3.568 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(c3nc(C4CCC4)no3)CC2)n1 ZINC000879550379 1137750494 /nfs/dbraw/zinc/75/04/94/1137750494.db2.gz AEUROQRPZPUNOT-GFCCVEGCSA-N 1 2 345.447 3.784 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558611 1137751151 /nfs/dbraw/zinc/75/11/51/1137751151.db2.gz KMIUTSFHMXYWKU-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558611 1137751152 /nfs/dbraw/zinc/75/11/52/1137751152.db2.gz KMIUTSFHMXYWKU-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cc2cnccc2o1 ZINC000879715453 1137756381 /nfs/dbraw/zinc/75/63/81/1137756381.db2.gz WXWXJXINONAVSU-STQMWFEESA-N 1 2 340.431 3.731 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882755 1137761053 /nfs/dbraw/zinc/76/10/53/1137761053.db2.gz DWHCMQGKRLYWJR-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882755 1137761054 /nfs/dbraw/zinc/76/10/54/1137761054.db2.gz DWHCMQGKRLYWJR-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3)s2)cc1 ZINC000880188466 1137770481 /nfs/dbraw/zinc/77/04/81/1137770481.db2.gz GKKMOGSEYLGAID-ROUUACIJSA-N 1 2 348.475 3.668 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3)s2)cc1 ZINC000880188466 1137770482 /nfs/dbraw/zinc/77/04/82/1137770482.db2.gz GKKMOGSEYLGAID-ROUUACIJSA-N 1 2 348.475 3.668 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3CCn4cnc(C(F)(F)F)c4C3)cc2c1 ZINC000880271006 1137772572 /nfs/dbraw/zinc/77/25/72/1137772572.db2.gz HLNGWRFTCDMIFS-UHFFFAOYSA-N 1 2 346.356 3.774 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3CCn4cnc(C(F)(F)F)c4C3)cc2c1 ZINC000880271006 1137772573 /nfs/dbraw/zinc/77/25/73/1137772573.db2.gz HLNGWRFTCDMIFS-UHFFFAOYSA-N 1 2 346.356 3.774 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880272141 1137772677 /nfs/dbraw/zinc/77/26/77/1137772677.db2.gz ZMNGYTORYSSKJN-UHFFFAOYSA-N 1 2 345.752 3.580 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880272141 1137772678 /nfs/dbraw/zinc/77/26/78/1137772678.db2.gz ZMNGYTORYSSKJN-UHFFFAOYSA-N 1 2 345.752 3.580 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000880371483 1137776812 /nfs/dbraw/zinc/77/68/12/1137776812.db2.gz IYJXWVASDRQBOJ-GOSISDBHSA-N 1 2 329.831 3.685 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000880371483 1137776813 /nfs/dbraw/zinc/77/68/13/1137776813.db2.gz IYJXWVASDRQBOJ-GOSISDBHSA-N 1 2 329.831 3.685 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000128793207 1137799610 /nfs/dbraw/zinc/79/96/10/1137799610.db2.gz NBYLTPLOOYOBOK-FQEVSTJZSA-N 1 2 331.419 3.682 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2(C)C)cc1 ZINC000881660618 1137813261 /nfs/dbraw/zinc/81/32/61/1137813261.db2.gz SJERKLAIVYKJLE-MJGOQNOKSA-N 1 2 337.467 3.549 20 0 EHADLO Cc1ncnc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c1C ZINC000881971166 1137818060 /nfs/dbraw/zinc/81/80/60/1137818060.db2.gz WDCAPGDTEPYEKF-UHFFFAOYSA-N 1 2 339.468 3.926 20 0 EHADLO Cc1ncnc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1C ZINC000881971166 1137818061 /nfs/dbraw/zinc/81/80/61/1137818061.db2.gz WDCAPGDTEPYEKF-UHFFFAOYSA-N 1 2 339.468 3.926 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C(C)C ZINC000882653002 1137830825 /nfs/dbraw/zinc/83/08/25/1137830825.db2.gz SCMZREWCFSVQLX-OAHLLOKOSA-N 1 2 341.455 3.996 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@@H]1F)n1cc[nH+]c1 ZINC000882705246 1137832074 /nfs/dbraw/zinc/83/20/74/1137832074.db2.gz OPXLLLMSBQAELF-KSZLIROESA-N 1 2 329.419 3.612 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000882870547 1137836235 /nfs/dbraw/zinc/83/62/35/1137836235.db2.gz LNMODWLTZCHXPN-RCCFBDPRSA-N 1 2 337.448 3.606 20 0 EHADLO c1ccc(CNc2cc(N3CCC4(CCCCO4)CC3)nc[nH+]2)cc1 ZINC000882949461 1137839461 /nfs/dbraw/zinc/83/94/61/1137839461.db2.gz RHQOPQPLAWKEDE-UHFFFAOYSA-N 1 2 338.455 3.628 20 0 EHADLO c1ccc(CNc2cc(N3CCC4(CCCCO4)CC3)[nH+]cn2)cc1 ZINC000882949461 1137839462 /nfs/dbraw/zinc/83/94/62/1137839462.db2.gz RHQOPQPLAWKEDE-UHFFFAOYSA-N 1 2 338.455 3.628 20 0 EHADLO C[C@H]1CC[C@H](CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000131911974 1137861360 /nfs/dbraw/zinc/86/13/60/1137861360.db2.gz SIGHYEXQEBYEPW-IRXDYDNUSA-N 1 2 343.515 3.664 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c[nH+]1 ZINC000883683748 1137867140 /nfs/dbraw/zinc/86/71/40/1137867140.db2.gz KGINUDQDVQZMEN-QZTJIDSGSA-N 1 2 327.403 3.523 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000883695789 1137867426 /nfs/dbraw/zinc/86/74/26/1137867426.db2.gz NLIHYPOWTBMWNR-UHFFFAOYSA-N 1 2 339.439 3.584 20 0 EHADLO Cc1ccc(C(C)(C)C[N@H+](C)CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132705166 1137868605 /nfs/dbraw/zinc/86/86/05/1137868605.db2.gz CHBYIVFEVNHTIT-UHFFFAOYSA-N 1 2 334.485 3.636 20 0 EHADLO Cc1ccc(C(C)(C)C[N@@H+](C)CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132705166 1137868606 /nfs/dbraw/zinc/86/86/06/1137868606.db2.gz CHBYIVFEVNHTIT-UHFFFAOYSA-N 1 2 334.485 3.636 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000883827923 1137872979 /nfs/dbraw/zinc/87/29/79/1137872979.db2.gz IQDWIUFSADSMKP-UHFFFAOYSA-N 1 2 344.484 3.542 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000133028398 1137875702 /nfs/dbraw/zinc/87/57/02/1137875702.db2.gz YBLGTBKGANDGMC-UHFFFAOYSA-N 1 2 343.818 3.635 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)c1ccccc1 ZINC001202560446 1137876097 /nfs/dbraw/zinc/87/60/97/1137876097.db2.gz HLZIQGRIFPWVGA-NSHDSACASA-N 1 2 329.252 3.761 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000133185428 1137880347 /nfs/dbraw/zinc/88/03/47/1137880347.db2.gz SWEAULBTZNUBPI-QGZVFWFLSA-N 1 2 345.393 3.557 20 0 EHADLO C[N@H+](Cn1ncn(-c2ccccc2)c1=S)[C@H]1CCc2ccccc21 ZINC000029301282 1137884018 /nfs/dbraw/zinc/88/40/18/1137884018.db2.gz AZNFKRQQCOODPK-SFHVURJKSA-N 1 2 336.464 3.980 20 0 EHADLO C[N@@H+](Cn1ncn(-c2ccccc2)c1=S)[C@H]1CCc2ccccc21 ZINC000029301282 1137884019 /nfs/dbraw/zinc/88/40/19/1137884019.db2.gz AZNFKRQQCOODPK-SFHVURJKSA-N 1 2 336.464 3.980 20 0 EHADLO CC(C)(C)SCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180134 1137885753 /nfs/dbraw/zinc/88/57/53/1137885753.db2.gz HZUCHQYRQHTTJE-UHFFFAOYSA-N 1 2 335.517 3.610 20 0 EHADLO CN(Cc1csc(-c2ccccc2)n1)Cc1cn2c([nH+]1)CCCC2 ZINC000429561831 1137886466 /nfs/dbraw/zinc/88/64/66/1137886466.db2.gz XMSQWEKUCPMZMX-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348262934 1137886553 /nfs/dbraw/zinc/88/65/53/1137886553.db2.gz UAVVRUCBULUYQR-NDXORKPFSA-N 1 2 345.446 3.597 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000348262932 1137886574 /nfs/dbraw/zinc/88/65/74/1137886574.db2.gz UAVVRUCBULUYQR-DQLDELGASA-N 1 2 345.446 3.597 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000107342024 1137886625 /nfs/dbraw/zinc/88/66/25/1137886625.db2.gz OKRMDHOFAXHZBJ-GFCCVEGCSA-N 1 2 340.254 3.575 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1Cl)NC1CCCCC1 ZINC001202623082 1137891062 /nfs/dbraw/zinc/89/10/62/1137891062.db2.gz IBGAHVREDYEOPY-UHFFFAOYSA-N 1 2 346.862 3.717 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000348277387 1137892189 /nfs/dbraw/zinc/89/21/89/1137892189.db2.gz LFFXXBUDOUAZFM-TZMCWYRMSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000348277387 1137892190 /nfs/dbraw/zinc/89/21/90/1137892190.db2.gz LFFXXBUDOUAZFM-TZMCWYRMSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000348277384 1137892296 /nfs/dbraw/zinc/89/22/96/1137892296.db2.gz LFFXXBUDOUAZFM-GXTWGEPZSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000348277384 1137892297 /nfs/dbraw/zinc/89/22/97/1137892297.db2.gz LFFXXBUDOUAZFM-GXTWGEPZSA-N 1 2 339.361 3.742 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cs1 ZINC000111376506 1137904314 /nfs/dbraw/zinc/90/43/14/1137904314.db2.gz KKXUILPPMTXKFE-DGCLKSJQSA-N 1 2 349.887 3.815 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000111376429 1137904414 /nfs/dbraw/zinc/90/44/14/1137904414.db2.gz CUFBJCNDAQIGCI-UONOGXRCSA-N 1 2 335.517 3.751 20 0 EHADLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000112354407 1137907358 /nfs/dbraw/zinc/90/73/58/1137907358.db2.gz SXTCUMIUCZXSPZ-NSHDSACASA-N 1 2 345.270 3.679 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000112995907 1137911225 /nfs/dbraw/zinc/91/12/25/1137911225.db2.gz SRZXGJWQJQBMKR-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000112995907 1137911226 /nfs/dbraw/zinc/91/12/26/1137911226.db2.gz SRZXGJWQJQBMKR-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000331629373 1137915073 /nfs/dbraw/zinc/91/50/73/1137915073.db2.gz HUDMLWIUQXOJMV-UHFFFAOYSA-N 1 2 346.500 3.796 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331729196 1137918456 /nfs/dbraw/zinc/91/84/56/1137918456.db2.gz OFFKTFPKUSHBPF-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331729196 1137918457 /nfs/dbraw/zinc/91/84/57/1137918457.db2.gz OFFKTFPKUSHBPF-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000331824009 1137922055 /nfs/dbraw/zinc/92/20/55/1137922055.db2.gz MRLIMNUPRRADLL-KRWDZBQOSA-N 1 2 343.402 3.751 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331841892 1137922444 /nfs/dbraw/zinc/92/24/44/1137922444.db2.gz BRRPCCDQSGYXBM-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO CCO[C@H](C)c1nc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)cs1 ZINC000331931219 1137925930 /nfs/dbraw/zinc/92/59/30/1137925930.db2.gz NXIAFECQYOZXQX-CYBMUJFWSA-N 1 2 334.489 3.652 20 0 EHADLO CCO[C@H](C)c1nc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cs1 ZINC000331931219 1137925931 /nfs/dbraw/zinc/92/59/31/1137925931.db2.gz NXIAFECQYOZXQX-CYBMUJFWSA-N 1 2 334.489 3.652 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1C ZINC000331949688 1137926627 /nfs/dbraw/zinc/92/66/27/1137926627.db2.gz NMLVGLUWAPYFQH-UHFFFAOYSA-N 1 2 332.835 3.811 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116740915 1137927134 /nfs/dbraw/zinc/92/71/34/1137927134.db2.gz PPCNDHWGBSDLDO-APWZRJJASA-N 1 2 325.456 3.877 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC001202703176 1137932138 /nfs/dbraw/zinc/93/21/38/1137932138.db2.gz QPBLAMRIWUMLEM-KRWDZBQOSA-N 1 2 325.412 3.774 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC001202703177 1137932179 /nfs/dbraw/zinc/93/21/79/1137932179.db2.gz QPBLAMRIWUMLEM-QGZVFWFLSA-N 1 2 325.412 3.774 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332363112 1137941560 /nfs/dbraw/zinc/94/15/60/1137941560.db2.gz VJNYDKZCMJBCDM-UWVGGRQHSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332363112 1137941561 /nfs/dbraw/zinc/94/15/61/1137941561.db2.gz VJNYDKZCMJBCDM-UWVGGRQHSA-N 1 2 325.771 3.508 20 0 EHADLO CC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000884279248 1137943301 /nfs/dbraw/zinc/94/33/01/1137943301.db2.gz FRQCFSLUVWHZGF-LPHOPBHVSA-N 1 2 348.450 3.802 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000016585336 1137945799 /nfs/dbraw/zinc/94/57/99/1137945799.db2.gz BXAFGIVMYZSRJF-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000016585336 1137945800 /nfs/dbraw/zinc/94/58/00/1137945800.db2.gz BXAFGIVMYZSRJF-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120476499 1137950045 /nfs/dbraw/zinc/95/00/45/1137950045.db2.gz BUPXPGUOFUZSIA-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120476499 1137950046 /nfs/dbraw/zinc/95/00/46/1137950046.db2.gz BUPXPGUOFUZSIA-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO Fc1ccc(C[C@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000121339643 1137957000 /nfs/dbraw/zinc/95/70/00/1137957000.db2.gz QQIDBGCKWZZKEZ-CQSZACIVSA-N 1 2 341.352 3.649 20 0 EHADLO Fc1ccc(C[C@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000121339643 1137957001 /nfs/dbraw/zinc/95/70/01/1137957001.db2.gz QQIDBGCKWZZKEZ-CQSZACIVSA-N 1 2 341.352 3.649 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](C3CCCCC3)C2)c(C)[nH+]1 ZINC000333193342 1137957828 /nfs/dbraw/zinc/95/78/28/1137957828.db2.gz OVPUKGJPLKZGLQ-KRWDZBQOSA-N 1 2 331.460 3.820 20 0 EHADLO Cc1c[nH+]c(CCNc2cc(Cl)nc([C@@H]3CCCO3)n2)c(C)c1 ZINC000884547963 1137962831 /nfs/dbraw/zinc/96/28/31/1137962831.db2.gz YXXVGVUNSFRZNO-AWEZNQCLSA-N 1 2 332.835 3.648 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](c3ncccn3)C2)nc(C(C)C)[nH+]1 ZINC000884711068 1137970301 /nfs/dbraw/zinc/97/03/01/1137970301.db2.gz CIBWQDWJJRMTRB-OAHLLOKOSA-N 1 2 325.460 3.897 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348334110 1137973086 /nfs/dbraw/zinc/97/30/86/1137973086.db2.gz NTWQRDAPPFXEFE-SECBINFHSA-N 1 2 331.288 3.933 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000884783326 1137973686 /nfs/dbraw/zinc/97/36/86/1137973686.db2.gz SPZFOVVCGUIRJF-UHFFFAOYSA-N 1 2 340.345 3.502 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000885232885 1137990042 /nfs/dbraw/zinc/99/00/42/1137990042.db2.gz UJOACHLEVKXSFT-KRWDZBQOSA-N 1 2 337.467 3.557 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248333 1138022913 /nfs/dbraw/zinc/02/29/13/1138022913.db2.gz MXMVFKHNROSTSS-WMZOPIPTSA-N 1 2 328.460 3.845 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c(F)c1OC ZINC000885999563 1138031166 /nfs/dbraw/zinc/03/11/66/1138031166.db2.gz JWWQNPBGVXTXSV-HNNXBMFYSA-N 1 2 336.432 3.849 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2noc3cc(F)ccc23)c1OC ZINC000886182018 1138056810 /nfs/dbraw/zinc/05/68/10/1138056810.db2.gz ZRBXOUDTJMFSTI-UHFFFAOYSA-N 1 2 330.359 3.582 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCCCCCC1 ZINC000890266678 1138070764 /nfs/dbraw/zinc/07/07/64/1138070764.db2.gz XMGQUVCXBRIPOQ-GOSISDBHSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000886433806 1138076506 /nfs/dbraw/zinc/07/65/06/1138076506.db2.gz UZPACMDZSLBGAO-HNNXBMFYSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000886433806 1138076508 /nfs/dbraw/zinc/07/65/08/1138076508.db2.gz UZPACMDZSLBGAO-HNNXBMFYSA-N 1 2 328.437 3.877 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000070043439 1138091878 /nfs/dbraw/zinc/09/18/78/1138091878.db2.gz DNWGNKJGFMBAMB-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000070043439 1138091879 /nfs/dbraw/zinc/09/18/79/1138091879.db2.gz DNWGNKJGFMBAMB-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH+]c1C ZINC000886664180 1138111239 /nfs/dbraw/zinc/11/12/39/1138111239.db2.gz DWSYXUMSDVNXHO-UHFFFAOYSA-N 1 2 335.455 3.658 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678378 1138113065 /nfs/dbraw/zinc/11/30/65/1138113065.db2.gz CFOASHQCYXWDFH-CYBMUJFWSA-N 1 2 343.381 3.601 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678378 1138113066 /nfs/dbraw/zinc/11/30/66/1138113066.db2.gz CFOASHQCYXWDFH-CYBMUJFWSA-N 1 2 343.381 3.601 20 0 EHADLO Cc1cccc([C@@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC000886712770 1138122947 /nfs/dbraw/zinc/12/29/47/1138122947.db2.gz LWIJGBSYDQTGNH-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO CC(C)OC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000886721622 1138125534 /nfs/dbraw/zinc/12/55/34/1138125534.db2.gz FHXZYTVNNXUYJD-LBPRGKRZSA-N 1 2 349.456 3.523 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000886732565 1138128388 /nfs/dbraw/zinc/12/83/88/1138128388.db2.gz JSWHKKDWAVTTTQ-UHFFFAOYSA-N 1 2 345.361 3.591 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075969452 1138129349 /nfs/dbraw/zinc/12/93/49/1138129349.db2.gz BRWCHICVBLAVBD-CYBMUJFWSA-N 1 2 328.378 3.905 20 0 EHADLO CCc1nc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000076497261 1138132051 /nfs/dbraw/zinc/13/20/51/1138132051.db2.gz RDTBZHBPYVFJPR-UHFFFAOYSA-N 1 2 327.428 3.512 20 0 EHADLO CCc1nc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000076497261 1138132053 /nfs/dbraw/zinc/13/20/53/1138132053.db2.gz RDTBZHBPYVFJPR-UHFFFAOYSA-N 1 2 327.428 3.512 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Cl)c1ccc(C)o1 ZINC000080238185 1138161749 /nfs/dbraw/zinc/16/17/49/1138161749.db2.gz PQBYSFJOILGBBN-ZDUSSCGKSA-N 1 2 339.819 3.736 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nc(-c3ccccc3C)no2)[nH+]1 ZINC000080708882 1138164151 /nfs/dbraw/zinc/16/41/51/1138164151.db2.gz HZKQJUIQPKEJKD-LLVKDONJSA-N 1 2 327.413 3.579 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000080847500 1138164807 /nfs/dbraw/zinc/16/48/07/1138164807.db2.gz KVVCDNKFPHGSQT-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000080847500 1138164808 /nfs/dbraw/zinc/16/48/08/1138164808.db2.gz KVVCDNKFPHGSQT-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H]3CCc4c3cccc4F)o2)c(C)o1 ZINC000886924413 1138172826 /nfs/dbraw/zinc/17/28/26/1138172826.db2.gz ZYZINOVVUFMEEG-MRXNPFEDSA-N 1 2 327.359 3.863 20 0 EHADLO Cc1ccc2cc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1 ZINC000086171227 1138185930 /nfs/dbraw/zinc/18/59/30/1138185930.db2.gz OYGBVRNLYAVWQX-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000086371655 1138186915 /nfs/dbraw/zinc/18/69/15/1138186915.db2.gz JIXMUKCWBLOICQ-CQSZACIVSA-N 1 2 344.434 3.730 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000088483908 1138194430 /nfs/dbraw/zinc/19/44/30/1138194430.db2.gz YUFCHXNMWZXYEA-AWEZNQCLSA-N 1 2 325.387 3.993 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000088483908 1138194432 /nfs/dbraw/zinc/19/44/32/1138194432.db2.gz YUFCHXNMWZXYEA-AWEZNQCLSA-N 1 2 325.387 3.993 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000089466333 1138199321 /nfs/dbraw/zinc/19/93/21/1138199321.db2.gz HWQDJKPRILOPEI-UGSOOPFHSA-N 1 2 340.427 3.509 20 0 EHADLO Clc1ccncc1C[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001137237557 1138217110 /nfs/dbraw/zinc/21/71/10/1138217110.db2.gz DGGWDFLCMMFHPJ-UHFFFAOYSA-N 1 2 328.843 3.916 20 0 EHADLO C[C@H]1CCC[C@]1(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000826543294 1138236565 /nfs/dbraw/zinc/23/65/65/1138236565.db2.gz NLWVTEAZVNUXHP-KKSFZXQISA-N 1 2 343.515 3.664 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606527 1138238527 /nfs/dbraw/zinc/23/85/27/1138238527.db2.gz RBHBATXZGHEDJS-KBXCAEBGSA-N 1 2 331.435 3.739 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606527 1138238529 /nfs/dbraw/zinc/23/85/29/1138238529.db2.gz RBHBATXZGHEDJS-KBXCAEBGSA-N 1 2 331.435 3.739 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnccc2Cl)[C@@H](c2ccccc2)C1 ZINC001137239125 1138242151 /nfs/dbraw/zinc/24/21/51/1138242151.db2.gz HYZXUNNLQQTTMP-CRAIPNDOSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnccc2Cl)[C@@H](c2ccccc2)C1 ZINC001137239125 1138242153 /nfs/dbraw/zinc/24/21/53/1138242153.db2.gz HYZXUNNLQQTTMP-CRAIPNDOSA-N 1 2 344.842 3.861 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1 ZINC000122365048 1138257214 /nfs/dbraw/zinc/25/72/14/1138257214.db2.gz KEIKLCMFKLRKIL-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1 ZINC000122365048 1138257217 /nfs/dbraw/zinc/25/72/17/1138257217.db2.gz KEIKLCMFKLRKIL-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c(C)c1C ZINC000125604966 1138312889 /nfs/dbraw/zinc/31/28/89/1138312889.db2.gz BRRAZLAIMZMBDW-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c(C)c1C ZINC000125604966 1138312893 /nfs/dbraw/zinc/31/28/93/1138312893.db2.gz BRRAZLAIMZMBDW-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO CCCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000128184373 1138382645 /nfs/dbraw/zinc/38/26/45/1138382645.db2.gz FGNJWRXCDGTFPB-CRAIPNDOSA-N 1 2 342.443 3.787 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000128554959 1138392810 /nfs/dbraw/zinc/39/28/10/1138392810.db2.gz BZASVJFDTKABRP-QAPCUYQASA-N 1 2 342.443 3.785 20 0 EHADLO C[C@@H]1CCCC[C@]1(C)n1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531553 1138398877 /nfs/dbraw/zinc/39/88/77/1138398877.db2.gz UBHFECGHSIHVJG-DYVFJYSZSA-N 1 2 342.472 3.572 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000264061122 1138412788 /nfs/dbraw/zinc/41/27/88/1138412788.db2.gz KHNVQWISUNNLEZ-UHFFFAOYSA-N 1 2 339.361 3.531 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336931948 1138429658 /nfs/dbraw/zinc/42/96/58/1138429658.db2.gz CBJFKKZZKFYLHG-RDJZCZTQSA-N 1 2 344.434 3.779 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cn1 ZINC001212821495 1138429950 /nfs/dbraw/zinc/42/99/50/1138429950.db2.gz FISMQYGNYQBEBU-UHFFFAOYSA-N 1 2 343.818 3.608 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccccc1C(F)(F)F ZINC000264173559 1138433708 /nfs/dbraw/zinc/43/37/08/1138433708.db2.gz MEZGKUOZFMSNSR-UHFFFAOYSA-N 1 2 337.345 3.723 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000264180771 1138435964 /nfs/dbraw/zinc/43/59/64/1138435964.db2.gz ODSAQCMDZCWVPA-UHFFFAOYSA-N 1 2 327.472 3.606 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264220824 1138446580 /nfs/dbraw/zinc/44/65/80/1138446580.db2.gz JCANYWIWHXPONX-LPHOPBHVSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cccc(F)c2F)c1)[NH+]1CCOCC1 ZINC000264242121 1138452234 /nfs/dbraw/zinc/45/22/34/1138452234.db2.gz NHIOKKJSQZQDMR-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO CCN(Cc1cccs1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337075267 1138461351 /nfs/dbraw/zinc/46/13/51/1138461351.db2.gz RNFYBKRRPXCFKI-UHFFFAOYSA-N 1 2 325.437 3.655 20 0 EHADLO CC1(c2ccccc2)CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337081944 1138462744 /nfs/dbraw/zinc/46/27/44/1138462744.db2.gz WXKLJDBCABRRFE-UHFFFAOYSA-N 1 2 331.419 3.722 20 0 EHADLO CS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(OC(C)C)sc2=S)C1 ZINC001319168225 1138472397 /nfs/dbraw/zinc/47/23/97/1138472397.db2.gz YARDZJJXHSRDFQ-WDEREUQCSA-N 1 2 333.548 3.635 20 0 EHADLO CS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(OC(C)C)sc2=S)C1 ZINC001319168225 1138472399 /nfs/dbraw/zinc/47/23/99/1138472399.db2.gz YARDZJJXHSRDFQ-WDEREUQCSA-N 1 2 333.548 3.635 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337212966 1138496621 /nfs/dbraw/zinc/49/66/21/1138496621.db2.gz VYULZVQRZACUNK-OAHLLOKOSA-N 1 2 338.480 3.570 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000131256842 1138505126 /nfs/dbraw/zinc/50/51/26/1138505126.db2.gz DAROLAWANANPJS-IUODEOHRSA-N 1 2 332.835 3.960 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1nnc2n1CCCCC2 ZINC000264569414 1138561798 /nfs/dbraw/zinc/56/17/98/1138561798.db2.gz SMQWMSTXONZPCE-IMJJTQAJSA-N 1 2 328.460 3.962 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(CC2CCCCC2)CC1 ZINC000887623614 1138563907 /nfs/dbraw/zinc/56/39/07/1138563907.db2.gz NOKKFQRXQWPGMV-SFHVURJKSA-N 1 2 329.488 3.655 20 0 EHADLO O=c1ccccn1C[C@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1 ZINC000337438494 1138569722 /nfs/dbraw/zinc/56/97/22/1138569722.db2.gz IQIYTLFVQFFUGJ-IBGZPJMESA-N 1 2 340.373 3.658 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264597760 1138571169 /nfs/dbraw/zinc/57/11/69/1138571169.db2.gz IYYOGFDYDKBIOM-WCQYABFASA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264597760 1138571171 /nfs/dbraw/zinc/57/11/71/1138571171.db2.gz IYYOGFDYDKBIOM-WCQYABFASA-N 1 2 346.374 3.599 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1C ZINC000337458456 1138575132 /nfs/dbraw/zinc/57/51/32/1138575132.db2.gz ODAWSDDTQSZPEJ-UHFFFAOYSA-N 1 2 342.414 3.523 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)c1C ZINC000337458456 1138575134 /nfs/dbraw/zinc/57/51/34/1138575134.db2.gz ODAWSDDTQSZPEJ-UHFFFAOYSA-N 1 2 342.414 3.523 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(Cl)cc1 ZINC000337460379 1138575923 /nfs/dbraw/zinc/57/59/23/1138575923.db2.gz ZZJVBGAAIFVOAF-KPZWWZAWSA-N 1 2 330.863 3.761 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000337531157 1138597039 /nfs/dbraw/zinc/59/70/39/1138597039.db2.gz DGHWZDVBSJIARU-BRWVUGGUSA-N 1 2 330.476 3.542 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000337701277 1138646835 /nfs/dbraw/zinc/64/68/35/1138646835.db2.gz FJZWUWVAHMFSSD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000337701277 1138646836 /nfs/dbraw/zinc/64/68/36/1138646836.db2.gz FJZWUWVAHMFSSD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nc(-c3ccco3)no2)cc1C ZINC000337848831 1138681718 /nfs/dbraw/zinc/68/17/18/1138681718.db2.gz QLOVFSUSVVIEIH-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)cc1C ZINC000337848831 1138681721 /nfs/dbraw/zinc/68/17/21/1138681721.db2.gz QLOVFSUSVVIEIH-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337955728 1138707621 /nfs/dbraw/zinc/70/76/21/1138707621.db2.gz OZDAKIBKCXSMGR-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(OC(F)F)c1 ZINC000265147795 1138746081 /nfs/dbraw/zinc/74/60/81/1138746081.db2.gz KNCPNEWADJKZRW-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000265169649 1138753681 /nfs/dbraw/zinc/75/36/81/1138753681.db2.gz AGQUXZXYYBIBRQ-JKSUJKDBSA-N 1 2 326.444 3.677 20 0 EHADLO c1csc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)cs2)c1 ZINC000135544302 1138758284 /nfs/dbraw/zinc/75/82/84/1138758284.db2.gz VXTBDPFBTDOSOM-JSGCOSHPSA-N 1 2 338.523 3.578 20 0 EHADLO c1csc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)cs2)c1 ZINC000135544302 1138758285 /nfs/dbraw/zinc/75/82/85/1138758285.db2.gz VXTBDPFBTDOSOM-JSGCOSHPSA-N 1 2 338.523 3.578 20 0 EHADLO COc1c(O)cccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000338182256 1138778244 /nfs/dbraw/zinc/77/82/44/1138778244.db2.gz YJSXOMKVHKROFN-UHFFFAOYSA-N 1 2 340.192 3.592 20 0 EHADLO CC(C)[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1F ZINC000338220687 1138792217 /nfs/dbraw/zinc/79/22/17/1138792217.db2.gz CBJYBEJNPNXIAT-UHFFFAOYSA-N 1 2 349.471 3.900 20 0 EHADLO CC(C)[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1F ZINC000338220687 1138792222 /nfs/dbraw/zinc/79/22/22/1138792222.db2.gz CBJYBEJNPNXIAT-UHFFFAOYSA-N 1 2 349.471 3.900 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338235036 1138796867 /nfs/dbraw/zinc/79/68/67/1138796867.db2.gz MRWGYTVQSABWLR-CQSZACIVSA-N 1 2 332.423 3.635 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338256145 1138802946 /nfs/dbraw/zinc/80/29/46/1138802946.db2.gz JPMAUEVHMNGUHM-MRXNPFEDSA-N 1 2 335.234 3.780 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc12 ZINC000338271292 1138808840 /nfs/dbraw/zinc/80/88/40/1138808840.db2.gz VLMAYPXKJHWKAR-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COCC1=CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000338278327 1138813260 /nfs/dbraw/zinc/81/32/60/1138813260.db2.gz DWDBPRFJICSJGE-GFCCVEGCSA-N 1 2 333.432 3.684 20 0 EHADLO COCC1=CC[N@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000338278327 1138813263 /nfs/dbraw/zinc/81/32/63/1138813263.db2.gz DWDBPRFJICSJGE-GFCCVEGCSA-N 1 2 333.432 3.684 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1OC ZINC000338281716 1138815193 /nfs/dbraw/zinc/81/51/93/1138815193.db2.gz NAYDBHJHNCAOJB-CQSZACIVSA-N 1 2 346.475 3.681 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000265396302 1138854396 /nfs/dbraw/zinc/85/43/96/1138854396.db2.gz UOZJUUZITDPTRX-KRWDZBQOSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000338392727 1138884931 /nfs/dbraw/zinc/88/49/31/1138884931.db2.gz XBWXPLRHQRJNIU-OAHLLOKOSA-N 1 2 329.469 3.536 20 0 EHADLO Cc1ccc(-c2ccc(C)c(NC(=O)NCc3ccc(N)[nH+]c3)c2)o1 ZINC000338439378 1138914414 /nfs/dbraw/zinc/91/44/14/1138914414.db2.gz RTZFQNDPNNMFLF-UHFFFAOYSA-N 1 2 336.395 3.693 20 0 EHADLO Cc1ccc(CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000338475426 1138932236 /nfs/dbraw/zinc/93/22/36/1138932236.db2.gz MCMUTZZCJKMZQX-UHFFFAOYSA-N 1 2 348.450 3.531 20 0 EHADLO CCCCSCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000150838674 1138987002 /nfs/dbraw/zinc/98/70/02/1138987002.db2.gz ALELCWBKIOOPQK-UHFFFAOYSA-N 1 2 347.484 3.824 20 0 EHADLO Cc1cccc(C)c1CN(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000887957884 1138992012 /nfs/dbraw/zinc/99/20/12/1138992012.db2.gz RFRSEEIFYVJPDR-HNNXBMFYSA-N 1 2 339.361 3.652 20 0 EHADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1ccccn1 ZINC000152435344 1139090856 /nfs/dbraw/zinc/09/08/56/1139090856.db2.gz FFITZPZZUFMNKL-DYVFJYSZSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1ccccn1 ZINC000152435344 1139090862 /nfs/dbraw/zinc/09/08/62/1139090862.db2.gz FFITZPZZUFMNKL-DYVFJYSZSA-N 1 2 347.256 3.806 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153444884 1139136343 /nfs/dbraw/zinc/13/63/43/1139136343.db2.gz WALXYRHRTKAWDV-NSHDSACASA-N 1 2 331.803 3.657 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000889683920 1139254168 /nfs/dbraw/zinc/25/41/68/1139254168.db2.gz HQXZAWSFQONMER-HXUWFJFHSA-N 1 2 349.478 3.677 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000826682889 1139315961 /nfs/dbraw/zinc/31/59/61/1139315961.db2.gz RDWVIFGEUCRWPQ-RLLQIKCJSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000826682889 1139315969 /nfs/dbraw/zinc/31/59/69/1139315969.db2.gz RDWVIFGEUCRWPQ-RLLQIKCJSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000826682890 1139316315 /nfs/dbraw/zinc/31/63/15/1139316315.db2.gz RDWVIFGEUCRWPQ-SXLOBPIMSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000826682890 1139316324 /nfs/dbraw/zinc/31/63/24/1139316324.db2.gz RDWVIFGEUCRWPQ-SXLOBPIMSA-N 1 2 338.426 3.622 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243269 1139328575 /nfs/dbraw/zinc/32/85/75/1139328575.db2.gz GSKIEHFBBNNRDL-DQXYTYHJSA-N 1 2 338.455 3.597 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243270 1139329137 /nfs/dbraw/zinc/32/91/37/1139329137.db2.gz GSKIEHFBBNNRDL-ZCTYVAAUSA-N 1 2 338.455 3.597 20 0 EHADLO CN(C[C@@H]1CC=CCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255252 1139331327 /nfs/dbraw/zinc/33/13/27/1139331327.db2.gz PQUQHPJBIZPWEN-IEBWSBKVSA-N 1 2 338.455 3.622 20 0 EHADLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OC(C)C ZINC000173725026 1139374224 /nfs/dbraw/zinc/37/42/24/1139374224.db2.gz LNWTYOLLBXXJBZ-UHFFFAOYSA-N 1 2 342.443 3.848 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000173914531 1139386641 /nfs/dbraw/zinc/38/66/41/1139386641.db2.gz ZYXNHZVHBUEUKC-UHFFFAOYSA-N 1 2 344.434 3.567 20 0 EHADLO C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)Cc1nccs1 ZINC000175074786 1139461684 /nfs/dbraw/zinc/46/16/84/1139461684.db2.gz MYGMZWQPPNBGHO-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)Cc1nccs1 ZINC000175074786 1139461687 /nfs/dbraw/zinc/46/16/87/1139461687.db2.gz MYGMZWQPPNBGHO-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000175386265 1139487505 /nfs/dbraw/zinc/48/75/05/1139487505.db2.gz CIBRXQVTUFXJCZ-MYYSRTQBSA-N 1 2 346.496 3.637 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000175386265 1139487508 /nfs/dbraw/zinc/48/75/08/1139487508.db2.gz CIBRXQVTUFXJCZ-MYYSRTQBSA-N 1 2 346.496 3.637 20 0 EHADLO Cc1cscc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000176125840 1139540998 /nfs/dbraw/zinc/54/09/98/1139540998.db2.gz UGEVIYNEHUICOZ-UHFFFAOYSA-N 1 2 335.498 3.997 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(C)o1 ZINC000177565263 1139626979 /nfs/dbraw/zinc/62/69/79/1139626979.db2.gz RHPQCQXDYOKVIX-AWEZNQCLSA-N 1 2 342.208 3.967 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(F)c1 ZINC000177628378 1139629517 /nfs/dbraw/zinc/62/95/17/1139629517.db2.gz UZPTYWHYBXCDGX-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(F)c1 ZINC000177628378 1139629520 /nfs/dbraw/zinc/62/95/20/1139629520.db2.gz UZPTYWHYBXCDGX-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179738242 1139779213 /nfs/dbraw/zinc/77/92/13/1139779213.db2.gz UJYQXWJZQJNLDS-SJCJKPOMSA-N 1 2 343.427 3.766 20 0 EHADLO CC[C@@H](C)[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180826751 1139865593 /nfs/dbraw/zinc/86/55/93/1139865593.db2.gz YTCHLIURMSEILU-IAGOWNOFSA-N 1 2 331.504 3.829 20 0 EHADLO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cn1 ZINC000180887537 1139871377 /nfs/dbraw/zinc/87/13/77/1139871377.db2.gz GKVIVXLPKRSQMB-UHFFFAOYSA-N 1 2 336.439 3.734 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181218375 1139893498 /nfs/dbraw/zinc/89/34/98/1139893498.db2.gz QQXYVUIHXLPPHJ-DOTOQJQBSA-N 1 2 329.444 3.526 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181278537 1139896860 /nfs/dbraw/zinc/89/68/60/1139896860.db2.gz MGYBRDCEDHCCQT-WSTZPKSXSA-N 1 2 339.483 3.952 20 0 EHADLO CN1CC[NH+](CCCSc2nc(-c3ccccc3)cs2)CC1 ZINC000181309931 1139900315 /nfs/dbraw/zinc/90/03/15/1139900315.db2.gz LFDHWTYFAHNSEG-UHFFFAOYSA-N 1 2 333.526 3.540 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182594466 1139981353 /nfs/dbraw/zinc/98/13/53/1139981353.db2.gz BDRNMJIOGTVXBL-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182594466 1139981357 /nfs/dbraw/zinc/98/13/57/1139981357.db2.gz BDRNMJIOGTVXBL-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182606037 1139982513 /nfs/dbraw/zinc/98/25/13/1139982513.db2.gz UFZFRAPLKXTPPA-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182606037 1139982515 /nfs/dbraw/zinc/98/25/15/1139982515.db2.gz UFZFRAPLKXTPPA-MRXNPFEDSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000182779262 1139992452 /nfs/dbraw/zinc/99/24/52/1139992452.db2.gz YRAKEYFJTFTQDS-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1C ZINC000183555799 1140046293 /nfs/dbraw/zinc/04/62/93/1140046293.db2.gz DIQAFPSQWUWNEY-FZMZJTMJSA-N 1 2 334.441 3.941 20 0 EHADLO CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCO1 ZINC000183593927 1140048540 /nfs/dbraw/zinc/04/85/40/1140048540.db2.gz ZEJQACWHMVTZJD-GXTWGEPZSA-N 1 2 333.819 3.669 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H](CO)c3ccccc3)co2)cc1 ZINC000183671312 1140052644 /nfs/dbraw/zinc/05/26/44/1140052644.db2.gz XTDVMKYGFCHMJP-LJQANCHMSA-N 1 2 338.407 3.564 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960699 1140069682 /nfs/dbraw/zinc/06/96/82/1140069682.db2.gz IPJGYNCIBMHDEM-HZPDHXFCSA-N 1 2 337.366 3.542 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960699 1140069685 /nfs/dbraw/zinc/06/96/85/1140069685.db2.gz IPJGYNCIBMHDEM-HZPDHXFCSA-N 1 2 337.366 3.542 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)s1 ZINC000184205006 1140087449 /nfs/dbraw/zinc/08/74/49/1140087449.db2.gz HZXUQPOONGRCLN-CQSZACIVSA-N 1 2 337.441 3.631 20 0 EHADLO C[C@@H](c1cnccn1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000184581188 1140109653 /nfs/dbraw/zinc/10/96/53/1140109653.db2.gz NGXRXKZMHOWUHJ-GJZGRUSLSA-N 1 2 330.863 3.570 20 0 EHADLO C[C@H](c1cnccn1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000184581237 1140109665 /nfs/dbraw/zinc/10/96/65/1140109665.db2.gz NGXRXKZMHOWUHJ-HUUCEWRRSA-N 1 2 330.863 3.570 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)cs1 ZINC000184691841 1140115910 /nfs/dbraw/zinc/11/59/10/1140115910.db2.gz WASOOZNNXBNDSV-HNNXBMFYSA-N 1 2 345.512 3.793 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cs1 ZINC000184726758 1140117384 /nfs/dbraw/zinc/11/73/84/1140117384.db2.gz YBRTWFCVQSCNSI-OCCSQVGLSA-N 1 2 347.459 3.862 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(C)o1 ZINC000184731109 1140117483 /nfs/dbraw/zinc/11/74/83/1140117483.db2.gz ZJMKCKRDODWANP-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184872386 1140123918 /nfs/dbraw/zinc/12/39/18/1140123918.db2.gz SXVRHKXMKIXEJU-HZPDHXFCSA-N 1 2 343.471 3.885 20 0 EHADLO CC[C@@H](c1nnc(SCCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000185546037 1140154766 /nfs/dbraw/zinc/15/47/66/1140154766.db2.gz FFCPJDQXFYUFMP-OAHLLOKOSA-N 1 2 328.441 3.990 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc2nccn21 ZINC000185746783 1140167577 /nfs/dbraw/zinc/16/75/77/1140167577.db2.gz HWSKKOSYAVYIRP-UHFFFAOYSA-N 1 2 349.438 3.723 20 0 EHADLO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1noc(C)n1 ZINC000185925845 1140177445 /nfs/dbraw/zinc/17/74/45/1140177445.db2.gz CDAVQDIHKWJQRT-ZDUSSCGKSA-N 1 2 338.249 3.594 20 0 EHADLO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1noc(C)n1 ZINC000185925845 1140177450 /nfs/dbraw/zinc/17/74/50/1140177450.db2.gz CDAVQDIHKWJQRT-ZDUSSCGKSA-N 1 2 338.249 3.594 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000186802718 1140222171 /nfs/dbraw/zinc/22/21/71/1140222171.db2.gz ZQNCIBMAIMAMQY-MAUKXSAKSA-N 1 2 330.472 3.592 20 0 EHADLO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(F)c(O)c(F)c1 ZINC000186983983 1140231261 /nfs/dbraw/zinc/23/12/61/1140231261.db2.gz MJOHSYLRODQPJW-UHFFFAOYSA-N 1 2 346.377 3.561 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439397 1140255720 /nfs/dbraw/zinc/25/57/20/1140255720.db2.gz LJAHETWWIAGPLI-IXDGSTSKSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439397 1140255724 /nfs/dbraw/zinc/25/57/24/1140255724.db2.gz LJAHETWWIAGPLI-IXDGSTSKSA-N 1 2 334.410 3.573 20 0 EHADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148444 1140389083 /nfs/dbraw/zinc/38/90/83/1140389083.db2.gz KODFHFJBZJLZJE-GXTWGEPZSA-N 1 2 335.473 3.699 20 0 EHADLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148444 1140389089 /nfs/dbraw/zinc/38/90/89/1140389089.db2.gz KODFHFJBZJLZJE-GXTWGEPZSA-N 1 2 335.473 3.699 20 0 EHADLO CCC(=O)CC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000190174320 1140390900 /nfs/dbraw/zinc/39/09/00/1140390900.db2.gz DFXXNSUQGYDVHI-UHFFFAOYSA-N 1 2 331.243 3.623 20 0 EHADLO CCC(=O)CC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000190174320 1140390904 /nfs/dbraw/zinc/39/09/04/1140390904.db2.gz DFXXNSUQGYDVHI-UHFFFAOYSA-N 1 2 331.243 3.623 20 0 EHADLO CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H](C)Cc1ccsc1 ZINC000190269903 1140396212 /nfs/dbraw/zinc/39/62/12/1140396212.db2.gz ARXSDBZITDPDHV-HNNXBMFYSA-N 1 2 346.500 3.608 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)n1 ZINC000191826069 1140488401 /nfs/dbraw/zinc/48/84/01/1140488401.db2.gz LRTVUJQGTHSAGH-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2)n1 ZINC000191826069 1140488403 /nfs/dbraw/zinc/48/84/03/1140488403.db2.gz LRTVUJQGTHSAGH-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000192466226 1140534402 /nfs/dbraw/zinc/53/44/02/1140534402.db2.gz JIBCSSJGUKDKQB-UHFFFAOYSA-N 1 2 337.398 3.568 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2ccc(Br)cc2)n1 ZINC000192809317 1140551955 /nfs/dbraw/zinc/55/19/55/1140551955.db2.gz IAJVOIAKAZMRSE-NSHDSACASA-N 1 2 338.249 3.881 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000193165613 1140566294 /nfs/dbraw/zinc/56/62/94/1140566294.db2.gz KTBOVVVLNMVDJD-GOSISDBHSA-N 1 2 331.847 3.664 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000193212627 1140567546 /nfs/dbraw/zinc/56/75/46/1140567546.db2.gz WYZLJCMIMAEUQV-UHFFFAOYSA-N 1 2 343.496 3.574 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000193489962 1140577094 /nfs/dbraw/zinc/57/70/94/1140577094.db2.gz FDXRRVOTKLWPMS-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000193488618 1140577219 /nfs/dbraw/zinc/57/72/19/1140577219.db2.gz YVCZTUQNDPUMSG-HNNXBMFYSA-N 1 2 346.475 3.582 20 0 EHADLO O=C(NC1CCCC1)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000195100414 1140630617 /nfs/dbraw/zinc/63/06/17/1140630617.db2.gz LZEQCWKJJAFMNB-UHFFFAOYSA-N 1 2 334.423 3.619 20 0 EHADLO C[C@H](O)CC[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266565687 1140703520 /nfs/dbraw/zinc/70/35/20/1140703520.db2.gz ZMRZHKLIVPCTCF-LBPRGKRZSA-N 1 2 340.876 3.578 20 0 EHADLO C[C@H](O)CC[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266565687 1140703526 /nfs/dbraw/zinc/70/35/26/1140703526.db2.gz ZMRZHKLIVPCTCF-LBPRGKRZSA-N 1 2 340.876 3.578 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2C[C@@H](C)CC2(C)C)c1)[NH+]1CCOCC1 ZINC000266914887 1140737142 /nfs/dbraw/zinc/73/71/42/1140737142.db2.gz LBILHLVWQCDMQC-JKSUJKDBSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2C[C@H](C)CC2(C)C)c1)[NH+]1CCOCC1 ZINC000266914884 1140737450 /nfs/dbraw/zinc/73/74/50/1140737450.db2.gz LBILHLVWQCDMQC-HZPDHXFCSA-N 1 2 345.487 3.732 20 0 EHADLO O=C(Nc1cccc(Br)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266977304 1140745670 /nfs/dbraw/zinc/74/56/70/1140745670.db2.gz REKLMXUTJWHEMW-UHFFFAOYSA-N 1 2 349.232 3.584 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000267006472 1140750028 /nfs/dbraw/zinc/75/00/28/1140750028.db2.gz QBQHORFGAYDCTR-QLFBSQMISA-N 1 2 348.878 3.759 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c(C)s1 ZINC000267271123 1140774122 /nfs/dbraw/zinc/77/41/22/1140774122.db2.gz ZPAPUCLQODCHCF-DZGCQCFKSA-N 1 2 346.500 3.537 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c(C)s1 ZINC000267271123 1140774127 /nfs/dbraw/zinc/77/41/27/1140774127.db2.gz ZPAPUCLQODCHCF-DZGCQCFKSA-N 1 2 346.500 3.537 20 0 EHADLO C/C(=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000267360080 1140782496 /nfs/dbraw/zinc/78/24/96/1140782496.db2.gz NMTNADIOSFKBNZ-ACCUITESSA-N 1 2 329.831 3.873 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)cs1 ZINC000267661540 1140818010 /nfs/dbraw/zinc/81/80/10/1140818010.db2.gz WTGGAKNDCXWIGI-AWEZNQCLSA-N 1 2 342.468 3.634 20 0 EHADLO CC(C)n1ccnc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000267773401 1140831384 /nfs/dbraw/zinc/83/13/84/1140831384.db2.gz SLHVYWDHVJVPAD-GOSISDBHSA-N 1 2 339.439 3.793 20 0 EHADLO CC(C)n1ccnc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000267773401 1140831394 /nfs/dbraw/zinc/83/13/94/1140831394.db2.gz SLHVYWDHVJVPAD-GOSISDBHSA-N 1 2 339.439 3.793 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000267969213 1140857676 /nfs/dbraw/zinc/85/76/76/1140857676.db2.gz UXNLTLLRYOZQLY-GFCCVEGCSA-N 1 2 340.349 3.588 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1csc2ccccc12 ZINC000267975198 1140860010 /nfs/dbraw/zinc/86/00/10/1140860010.db2.gz WLTBYYMCBWRWBU-CQSZACIVSA-N 1 2 327.453 3.625 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000268022060 1140868482 /nfs/dbraw/zinc/86/84/82/1140868482.db2.gz WBDOKZOOOMFHLX-HNNXBMFYSA-N 1 2 334.485 3.615 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000268022060 1140868489 /nfs/dbraw/zinc/86/84/89/1140868489.db2.gz WBDOKZOOOMFHLX-HNNXBMFYSA-N 1 2 334.485 3.615 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1F ZINC000268397600 1140932506 /nfs/dbraw/zinc/93/25/06/1140932506.db2.gz OUNPPXPREWGGQN-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO COc1ccsc1C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000268767963 1140986596 /nfs/dbraw/zinc/98/65/96/1140986596.db2.gz CPBCNUMCSYDSKY-LLVKDONJSA-N 1 2 345.424 3.666 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)s1 ZINC000268793886 1140994109 /nfs/dbraw/zinc/99/41/09/1140994109.db2.gz CWFXKEIVTMLTEF-GFCCVEGCSA-N 1 2 333.848 3.618 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)cs1 ZINC000269433051 1141107770 /nfs/dbraw/zinc/10/77/70/1141107770.db2.gz QALBMELHCJTCTG-CJNGLKHVSA-N 1 2 332.469 3.778 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270048063 1141173125 /nfs/dbraw/zinc/17/31/25/1141173125.db2.gz UEURBZSHRRTCOV-UKRRQHHQSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@H](C)c3cn[nH]c3)cs2)cc1 ZINC000270175927 1141188432 /nfs/dbraw/zinc/18/84/32/1141188432.db2.gz IKFYUUZVHKGHLU-CYBMUJFWSA-N 1 2 328.441 3.604 20 0 EHADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)cc1 ZINC000270192347 1141190202 /nfs/dbraw/zinc/19/02/02/1141190202.db2.gz IHLJHZRBDKVNNG-NEPJUHHUSA-N 1 2 338.498 3.657 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000270290908 1141203049 /nfs/dbraw/zinc/20/30/49/1141203049.db2.gz ZOZRMJGGRCESOC-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCc1nc2sccc2c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000270326889 1141206792 /nfs/dbraw/zinc/20/67/92/1141206792.db2.gz WLNQXGSEIWJVIG-GXTWGEPZSA-N 1 2 327.457 3.538 20 0 EHADLO CC1=CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270323308 1141206856 /nfs/dbraw/zinc/20/68/56/1141206856.db2.gz LBIYYVRVVVCPNR-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270335299 1141209048 /nfs/dbraw/zinc/20/90/48/1141209048.db2.gz FLTHFWWXCHYAGI-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270335299 1141209052 /nfs/dbraw/zinc/20/90/52/1141209052.db2.gz FLTHFWWXCHYAGI-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270361700 1141212559 /nfs/dbraw/zinc/21/25/59/1141212559.db2.gz RONDNXFLBIEJND-WMLDXEAASA-N 1 2 336.439 3.912 20 0 EHADLO COc1ccc2oc(C[NH2+]Cc3csc([C@H](C)OC)n3)cc2c1 ZINC000270680325 1141256122 /nfs/dbraw/zinc/25/61/22/1141256122.db2.gz YIMPIAGLFPENMH-NSHDSACASA-N 1 2 332.425 3.895 20 0 EHADLO CC(C)c1cc(NCCCc2nnc3n2CCCC3)nc(C(C)C)[nH+]1 ZINC000270880730 1141279163 /nfs/dbraw/zinc/27/91/63/1141279163.db2.gz OVVXWVLSTBKJCY-UHFFFAOYSA-N 1 2 342.491 3.696 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nnc(C)s4)CC3)c2c1 ZINC000271395351 1141357705 /nfs/dbraw/zinc/35/77/05/1141357705.db2.gz GXEQARNWCUWQCX-UHFFFAOYSA-N 1 2 340.452 3.626 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nnc(C)s4)CC3)c2c1 ZINC000271395351 1141357712 /nfs/dbraw/zinc/35/77/12/1141357712.db2.gz GXEQARNWCUWQCX-UHFFFAOYSA-N 1 2 340.452 3.626 20 0 EHADLO COC1(c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000273902192 1141443992 /nfs/dbraw/zinc/44/39/92/1141443992.db2.gz FTZKVYWXXHWMML-MRXNPFEDSA-N 1 2 327.428 3.822 20 0 EHADLO COC1(c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000273902192 1141443993 /nfs/dbraw/zinc/44/39/93/1141443993.db2.gz FTZKVYWXXHWMML-MRXNPFEDSA-N 1 2 327.428 3.822 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c2ccccc2n1 ZINC000339130224 1141505079 /nfs/dbraw/zinc/50/50/79/1141505079.db2.gz KMARQQKDLNXZHA-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000339163575 1141514806 /nfs/dbraw/zinc/51/48/06/1141514806.db2.gz PYNPGKIFUHJFFL-KDOFPFPSSA-N 1 2 337.467 3.769 20 0 EHADLO COC(=O)c1occc1C[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000339168653 1141516911 /nfs/dbraw/zinc/51/69/11/1141516911.db2.gz IXOXAUDZGNRLGK-UHFFFAOYSA-N 1 2 343.423 3.726 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000339201508 1141526587 /nfs/dbraw/zinc/52/65/87/1141526587.db2.gz SRLQZOIFTOZQEC-RDJZCZTQSA-N 1 2 329.419 3.695 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000339201468 1141526699 /nfs/dbraw/zinc/52/66/99/1141526699.db2.gz RUXSYFPNEKVSHK-ZFWWWQNUSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1[nH]ncc1C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000348679207 1141565646 /nfs/dbraw/zinc/56/56/46/1141565646.db2.gz ZDUZNWAQPMJJOD-UHFFFAOYSA-N 1 2 326.469 3.882 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)o1 ZINC000283180930 1141568758 /nfs/dbraw/zinc/56/87/58/1141568758.db2.gz ZTEVACAYEGMZHF-OLZOCXBDSA-N 1 2 348.244 3.596 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)o1 ZINC000283180930 1141568762 /nfs/dbraw/zinc/56/87/62/1141568762.db2.gz ZTEVACAYEGMZHF-OLZOCXBDSA-N 1 2 348.244 3.596 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)s2)ccn1 ZINC000348755602 1141575521 /nfs/dbraw/zinc/57/55/21/1141575521.db2.gz NCABWBKFCZYCGF-RKDXNWHRSA-N 1 2 342.262 3.721 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccnc1 ZINC000348796295 1141580584 /nfs/dbraw/zinc/58/05/84/1141580584.db2.gz DIHXTJZLEDXISD-GQIGUUNPSA-N 1 2 340.471 3.899 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000348814769 1141586081 /nfs/dbraw/zinc/58/60/81/1141586081.db2.gz IBPRXCNBFNSQOT-CYBMUJFWSA-N 1 2 327.306 3.614 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000348814769 1141586082 /nfs/dbraw/zinc/58/60/82/1141586082.db2.gz IBPRXCNBFNSQOT-CYBMUJFWSA-N 1 2 327.306 3.614 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cnc(C2CCC2)s1 ZINC000348838600 1141592640 /nfs/dbraw/zinc/59/26/40/1141592640.db2.gz QEMAKNTVVAOCEW-UHFFFAOYSA-N 1 2 335.517 3.635 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc(C2CCC2)s1 ZINC000348838600 1141592645 /nfs/dbraw/zinc/59/26/45/1141592645.db2.gz QEMAKNTVVAOCEW-UHFFFAOYSA-N 1 2 335.517 3.635 20 0 EHADLO C[N@@H+](Cc1nc2ccc(F)cc2s1)C[C@@H]1COc2ccccc2O1 ZINC000349062004 1141631836 /nfs/dbraw/zinc/63/18/36/1141631836.db2.gz KLTKBGFKGAMPOI-CYBMUJFWSA-N 1 2 344.411 3.707 20 0 EHADLO C[N@H+](Cc1nc2ccc(F)cc2s1)C[C@@H]1COc2ccccc2O1 ZINC000349062004 1141631839 /nfs/dbraw/zinc/63/18/39/1141631839.db2.gz KLTKBGFKGAMPOI-CYBMUJFWSA-N 1 2 344.411 3.707 20 0 EHADLO Cc1occc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122564 214217924 /nfs/dbraw/zinc/21/79/24/214217924.db2.gz CTHVTRYAAJGELV-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1occc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122564 214217926 /nfs/dbraw/zinc/21/79/26/214217926.db2.gz CTHVTRYAAJGELV-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)c1 ZINC000022289421 202082242 /nfs/dbraw/zinc/08/22/42/202082242.db2.gz KQDLMVZVJRWQPL-UHFFFAOYSA-N 1 2 329.469 3.998 20 0 EHADLO Fc1cc2[nH+]cn(Cc3cc(Cl)c4c(c3)OCCO4)c2cc1F ZINC000024427643 202116375 /nfs/dbraw/zinc/11/63/75/202116375.db2.gz QZIOTNWJJALRHM-UHFFFAOYSA-N 1 2 336.725 3.787 20 0 EHADLO CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000072011827 203158083 /nfs/dbraw/zinc/15/80/83/203158083.db2.gz RTFRNMHGUVYSFK-UHFFFAOYSA-N 1 2 346.434 3.984 20 0 EHADLO Cn1c2c([nH+]c1[C@H]1CCCN1c1nc3cc(F)ccc3o1)CCCC2 ZINC000275767163 564010061 /nfs/dbraw/zinc/01/00/61/564010061.db2.gz XKYVXNRSENEMKY-MRXNPFEDSA-N 1 2 340.402 3.921 20 0 EHADLO O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000833313328 601641254 /nfs/dbraw/zinc/64/12/54/601641254.db2.gz UDSQIFFYBBZFJU-KRWDZBQOSA-N 1 2 348.462 3.612 20 0 EHADLO O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000833313328 601641255 /nfs/dbraw/zinc/64/12/55/601641255.db2.gz UDSQIFFYBBZFJU-KRWDZBQOSA-N 1 2 348.462 3.612 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(F)cc1F ZINC000819899334 606951644 /nfs/dbraw/zinc/95/16/44/606951644.db2.gz RZEGYJZJWSKFFF-HNNXBMFYSA-N 1 2 347.369 3.615 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1C ZINC000449027448 1032061971 /nfs/dbraw/zinc/06/19/71/1032061971.db2.gz IIVXPEGQQCWUPO-UHFFFAOYSA-N 1 2 343.492 3.872 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1C ZINC000449027448 1032061989 /nfs/dbraw/zinc/06/19/89/1032061989.db2.gz IIVXPEGQQCWUPO-UHFFFAOYSA-N 1 2 343.492 3.872 20 0 EHADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(O)c1Br ZINC000459419820 1032065751 /nfs/dbraw/zinc/06/57/51/1032065751.db2.gz BMGIWVMGWOWZRK-CYBMUJFWSA-N 1 2 334.213 3.637 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc(-c2cccs2)ns1)c1ccccc1 ZINC000182135599 1032068874 /nfs/dbraw/zinc/06/88/74/1032068874.db2.gz SOZKGXVBFWPIQN-CYBMUJFWSA-N 1 2 344.465 3.508 20 0 EHADLO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1ccccc1Br ZINC000173824977 1033536658 /nfs/dbraw/zinc/53/66/58/1033536658.db2.gz APJQXRXQZFHKSI-UHFFFAOYSA-N 1 2 337.261 3.654 20 0 EHADLO O=C(C[N@H+]1CCC2(CCCC2)C1)Nc1ccccc1Br ZINC000173824977 1033536672 /nfs/dbraw/zinc/53/66/72/1033536672.db2.gz APJQXRXQZFHKSI-UHFFFAOYSA-N 1 2 337.261 3.654 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000536659771 1032074682 /nfs/dbraw/zinc/07/46/82/1032074682.db2.gz WQJJVDZWRMNVEW-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000536659771 1032074699 /nfs/dbraw/zinc/07/46/99/1032074699.db2.gz WQJJVDZWRMNVEW-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663732 1032082834 /nfs/dbraw/zinc/08/28/34/1032082834.db2.gz RVRYXFPXGWPSGY-MSOLQXFVSA-N 1 2 347.503 3.582 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663732 1032082846 /nfs/dbraw/zinc/08/28/46/1032082846.db2.gz RVRYXFPXGWPSGY-MSOLQXFVSA-N 1 2 347.503 3.582 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(C(F)F)cc1F ZINC000654731867 1014298610 /nfs/dbraw/zinc/29/86/10/1014298610.db2.gz OFFLLBBTXNBWSZ-UHFFFAOYSA-N 1 2 337.345 3.780 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000339400223 1014341124 /nfs/dbraw/zinc/34/11/24/1014341124.db2.gz MIXRZCBTFRPDSF-CQSZACIVSA-N 1 2 325.387 3.871 20 0 EHADLO CCC[C@@H](CC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497955 1032093732 /nfs/dbraw/zinc/09/37/32/1032093732.db2.gz LOAKIJXMWSZHQV-MRXNPFEDSA-N 1 2 329.444 3.863 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3cc4cccnc4o3)CC2)s1 ZINC000449023455 1032094605 /nfs/dbraw/zinc/09/46/05/1032094605.db2.gz QTOFQXPFXQIFCJ-UHFFFAOYSA-N 1 2 341.480 3.770 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]Cc3c(F)cc(F)cc3F)cn2)cc1 ZINC000339522804 1014686899 /nfs/dbraw/zinc/68/68/99/1014686899.db2.gz BXEDEBAQGVWYQK-UHFFFAOYSA-N 1 2 335.304 3.719 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000358038493 1014742589 /nfs/dbraw/zinc/74/25/89/1014742589.db2.gz VNYNKTLXAAVSOA-CYBMUJFWSA-N 1 2 325.334 3.902 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000358038493 1014742599 /nfs/dbraw/zinc/74/25/99/1014742599.db2.gz VNYNKTLXAAVSOA-CYBMUJFWSA-N 1 2 325.334 3.902 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339541525 1014756309 /nfs/dbraw/zinc/75/63/09/1014756309.db2.gz XBZBTVPSSTYSHM-HOCLYGCPSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000654996472 1014764711 /nfs/dbraw/zinc/76/47/11/1014764711.db2.gz VYCYDLLQJSSQKV-IFXJQAMLSA-N 1 2 349.434 3.875 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000650106634 1014812740 /nfs/dbraw/zinc/81/27/40/1014812740.db2.gz QFJUXHQGIHRVLJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000650106634 1014812755 /nfs/dbraw/zinc/81/27/55/1014812755.db2.gz QFJUXHQGIHRVLJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000650106635 1014813483 /nfs/dbraw/zinc/81/34/83/1014813483.db2.gz QFJUXHQGIHRVLJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000650106635 1014813495 /nfs/dbraw/zinc/81/34/95/1014813495.db2.gz QFJUXHQGIHRVLJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029442103 1014841129 /nfs/dbraw/zinc/84/11/29/1014841129.db2.gz MUUPEVOMFVSFSF-OAHLLOKOSA-N 1 2 335.407 3.762 20 0 EHADLO CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001595906520 982974470 /nfs/dbraw/zinc/97/44/70/982974470.db2.gz CKYQJJWHYIZGEV-UHFFFAOYSA-N 1 2 342.439 3.609 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538025671 1032109309 /nfs/dbraw/zinc/10/93/09/1032109309.db2.gz CMTKJFYVTNUXQP-XZJROXQQSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538025671 1032109321 /nfs/dbraw/zinc/10/93/21/1032109321.db2.gz CMTKJFYVTNUXQP-XZJROXQQSA-N 1 2 326.843 3.777 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c2ccccc12 ZINC000339584006 1015071072 /nfs/dbraw/zinc/07/10/72/1015071072.db2.gz YPKPKBUJEFNJAB-UHFFFAOYSA-N 1 2 344.418 3.719 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000547688175 1015196753 /nfs/dbraw/zinc/19/67/53/1015196753.db2.gz ATXSJQZQVDVZKZ-JENIJYKNSA-N 1 2 347.503 3.609 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000343734486 1032114565 /nfs/dbraw/zinc/11/45/65/1032114565.db2.gz LLRJPBZBYZLIJE-GFCCVEGCSA-N 1 2 345.834 3.707 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000343734486 1032114575 /nfs/dbraw/zinc/11/45/75/1032114575.db2.gz LLRJPBZBYZLIJE-GFCCVEGCSA-N 1 2 345.834 3.707 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+]3CCC[C@@H](C)CC3)c(=S)o2)cc1 ZINC000748083482 1015360597 /nfs/dbraw/zinc/36/05/97/1015360597.db2.gz OMMNWRFRZDIXCO-CQSZACIVSA-N 1 2 347.484 3.884 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+]3CCC[C@@H](C)CC3)c(=S)o2)cc1 ZINC000748083482 1015360605 /nfs/dbraw/zinc/36/06/05/1015360605.db2.gz OMMNWRFRZDIXCO-CQSZACIVSA-N 1 2 347.484 3.884 20 0 EHADLO CC(C)C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339623871 1015408205 /nfs/dbraw/zinc/40/82/05/1015408205.db2.gz SKMXCPCHRWGFGD-MSOLQXFVSA-N 1 2 340.471 3.706 20 0 EHADLO CCCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000339660763 1015483694 /nfs/dbraw/zinc/48/36/94/1015483694.db2.gz PDFUNODVQZZPPD-UHFFFAOYSA-N 1 2 349.434 3.650 20 0 EHADLO CC[C@H](CN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000274910661 1015611353 /nfs/dbraw/zinc/61/13/53/1015611353.db2.gz JSVOQVCEHAJPRV-QGZVFWFLSA-N 1 2 348.450 3.923 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000339735066 1015619416 /nfs/dbraw/zinc/61/94/16/1015619416.db2.gz BOWREGWGRGQTSD-UHFFFAOYSA-N 1 2 345.826 3.678 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000339735066 1015619423 /nfs/dbraw/zinc/61/94/23/1015619423.db2.gz BOWREGWGRGQTSD-UHFFFAOYSA-N 1 2 345.826 3.678 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3sc(C)nc3C)o2)c1 ZINC000339744028 1015646061 /nfs/dbraw/zinc/64/60/61/1015646061.db2.gz DCQJFRLCZWXYOD-UHFFFAOYSA-N 1 2 348.453 3.814 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000339824526 1015706379 /nfs/dbraw/zinc/70/63/79/1015706379.db2.gz HPGVKRKIAZSTOG-SFHVURJKSA-N 1 2 342.414 3.775 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826252 1015712872 /nfs/dbraw/zinc/71/28/72/1015712872.db2.gz CEHFHRNEJMLVLI-NEPJUHHUSA-N 1 2 344.352 3.586 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826252 1015712877 /nfs/dbraw/zinc/71/28/77/1015712877.db2.gz CEHFHRNEJMLVLI-NEPJUHHUSA-N 1 2 344.352 3.586 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3sccc3C2)c1OC(F)F ZINC000179887659 1015748165 /nfs/dbraw/zinc/74/81/65/1015748165.db2.gz QRYHATHFVVBMMW-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1cccc(C[N@H+]2CCc3sccc3C2)c1OC(F)F ZINC000179887659 1015748171 /nfs/dbraw/zinc/74/81/71/1015748171.db2.gz QRYHATHFVVBMMW-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000075309241 1015790970 /nfs/dbraw/zinc/79/09/70/1015790970.db2.gz WBFMUMUCOVCRBH-JZXOWHBKSA-N 1 2 342.487 3.828 20 0 EHADLO Cc1cccc2nc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cn21 ZINC000047406676 1015792399 /nfs/dbraw/zinc/79/23/99/1015792399.db2.gz ZIWLGKDGZBSYDM-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1cccc2nc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)cn21 ZINC000047406676 1015792406 /nfs/dbraw/zinc/79/24/06/1015792406.db2.gz ZIWLGKDGZBSYDM-KRWDZBQOSA-N 1 2 341.480 3.885 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000182780359 1032128862 /nfs/dbraw/zinc/12/88/62/1032128862.db2.gz WJFJLAGVVFAJDI-AUUYWEPGSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CO)cc1 ZINC000182780359 1032128869 /nfs/dbraw/zinc/12/88/69/1032128869.db2.gz WJFJLAGVVFAJDI-AUUYWEPGSA-N 1 2 331.843 3.794 20 0 EHADLO O=C(NCCc1ccco1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339938740 1015996519 /nfs/dbraw/zinc/99/65/19/1015996519.db2.gz WAMWIMNTVDYOEZ-UHFFFAOYSA-N 1 2 348.406 3.559 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000187713835 1016211651 /nfs/dbraw/zinc/21/16/51/1016211651.db2.gz HLPUCEIBGAXFNF-QGZVFWFLSA-N 1 2 327.472 3.825 20 0 EHADLO CC[C@@H](c1ccccc1)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC001167128262 1016222733 /nfs/dbraw/zinc/22/27/33/1016222733.db2.gz QINKOPMQDKZLOZ-INIZCTEOSA-N 1 2 328.485 3.617 20 0 EHADLO CC[C@@H](c1ccccc1)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC001167128262 1016222739 /nfs/dbraw/zinc/22/27/39/1016222739.db2.gz QINKOPMQDKZLOZ-INIZCTEOSA-N 1 2 328.485 3.617 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374942 999413209 /nfs/dbraw/zinc/41/32/09/999413209.db2.gz VDHCHCNUPMOPHF-HUUCEWRRSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374942 999413211 /nfs/dbraw/zinc/41/32/11/999413211.db2.gz VDHCHCNUPMOPHF-HUUCEWRRSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374942 999413213 /nfs/dbraw/zinc/41/32/13/999413213.db2.gz VDHCHCNUPMOPHF-HUUCEWRRSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374942 999413215 /nfs/dbraw/zinc/41/32/15/999413215.db2.gz VDHCHCNUPMOPHF-HUUCEWRRSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375256 999414877 /nfs/dbraw/zinc/41/48/77/999414877.db2.gz YNNSZWWWIKWXET-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375256 999414883 /nfs/dbraw/zinc/41/48/83/999414883.db2.gz YNNSZWWWIKWXET-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375256 999414885 /nfs/dbraw/zinc/41/48/85/999414885.db2.gz YNNSZWWWIKWXET-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375256 999414889 /nfs/dbraw/zinc/41/48/89/999414889.db2.gz YNNSZWWWIKWXET-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375259 999414916 /nfs/dbraw/zinc/41/49/16/999414916.db2.gz YNNSZWWWIKWXET-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375259 999414918 /nfs/dbraw/zinc/41/49/18/999414918.db2.gz YNNSZWWWIKWXET-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375259 999414920 /nfs/dbraw/zinc/41/49/20/999414920.db2.gz YNNSZWWWIKWXET-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375259 999414922 /nfs/dbraw/zinc/41/49/22/999414922.db2.gz YNNSZWWWIKWXET-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCC[C@H]1C ZINC000340132666 1016387434 /nfs/dbraw/zinc/38/74/34/1016387434.db2.gz ZKVAEHIMILRPMF-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO O=c1ccc2c([nH]1)CCN(c1[nH+]ccc3cc(Cl)ccc31)CC2 ZINC001167165724 1016429380 /nfs/dbraw/zinc/42/93/80/1016429380.db2.gz NRZPRYMNEICBIC-UHFFFAOYSA-N 1 2 325.799 3.594 20 0 EHADLO CCO[C@@H](c1noc([C@H]2CC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041965 1016465048 /nfs/dbraw/zinc/46/50/48/1016465048.db2.gz SAUJRSICAKAAFV-IAGOWNOFSA-N 1 2 327.428 3.885 20 0 EHADLO CCO[C@@H](c1noc([C@H]2CC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041965 1016465054 /nfs/dbraw/zinc/46/50/54/1016465054.db2.gz SAUJRSICAKAAFV-IAGOWNOFSA-N 1 2 327.428 3.885 20 0 EHADLO Cc1nc(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc(C(C)C)[nH+]1 ZINC001167174089 1016469760 /nfs/dbraw/zinc/46/97/60/1016469760.db2.gz QXSCERBMQUKVSU-GASCZTMLSA-N 1 2 345.450 3.943 20 0 EHADLO Clc1cc(Br)ncc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140079744 1016521418 /nfs/dbraw/zinc/52/14/18/1016521418.db2.gz FTFSHKYCGOUYSW-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)ncc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140079744 1016521432 /nfs/dbraw/zinc/52/14/32/1016521432.db2.gz FTFSHKYCGOUYSW-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000340158268 1016525636 /nfs/dbraw/zinc/52/56/36/1016525636.db2.gz PPAWSHKWTOAELI-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000430396777 1016656720 /nfs/dbraw/zinc/65/67/20/1016656720.db2.gz UKLKIOHFYWPBNE-DQLDELGASA-N 1 2 349.478 3.738 20 0 EHADLO Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683406550 1016732721 /nfs/dbraw/zinc/73/27/21/1016732721.db2.gz DAEVGKAXCAWOJN-UHFFFAOYSA-N 1 2 338.415 3.988 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H]2CCCC[C@H]12 ZINC000782932618 1016758265 /nfs/dbraw/zinc/75/82/65/1016758265.db2.gz BGPQJVIZHKBCRS-IJLUTSLNSA-N 1 2 330.448 3.747 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H]2CCCC[C@H]12 ZINC000782932618 1016758281 /nfs/dbraw/zinc/75/82/81/1016758281.db2.gz BGPQJVIZHKBCRS-IJLUTSLNSA-N 1 2 330.448 3.747 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)C2 ZINC000579904647 1016868515 /nfs/dbraw/zinc/86/85/15/1016868515.db2.gz IFZAABYQYGPDHX-QXSJWSMHSA-N 1 2 331.504 3.827 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)CC2 ZINC000579904647 1016868524 /nfs/dbraw/zinc/86/85/24/1016868524.db2.gz IFZAABYQYGPDHX-QXSJWSMHSA-N 1 2 331.504 3.827 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000459455676 1032152292 /nfs/dbraw/zinc/15/22/92/1032152292.db2.gz OWMQAAGTTVJJIL-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000459455676 1032152298 /nfs/dbraw/zinc/15/22/98/1032152298.db2.gz OWMQAAGTTVJJIL-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000155422160 1016955639 /nfs/dbraw/zinc/95/56/39/1016955639.db2.gz JOFXCLFIGYVJGF-QGZVFWFLSA-N 1 2 333.476 3.518 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376625094 1016956294 /nfs/dbraw/zinc/95/62/94/1016956294.db2.gz CTXCFXNFJVXHGJ-GFCCVEGCSA-N 1 2 329.469 3.999 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376625094 1016956304 /nfs/dbraw/zinc/95/63/04/1016956304.db2.gz CTXCFXNFJVXHGJ-GFCCVEGCSA-N 1 2 329.469 3.999 20 0 EHADLO Cc1noc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000547837219 1017022439 /nfs/dbraw/zinc/02/24/39/1017022439.db2.gz BEHSWVDODGDYMA-CQSZACIVSA-N 1 2 340.196 3.521 20 0 EHADLO CSc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)co1 ZINC000631137199 1017068956 /nfs/dbraw/zinc/06/89/56/1017068956.db2.gz XAIDPGNKYZNERH-UHFFFAOYSA-N 1 2 345.468 3.707 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000080570036 1032157626 /nfs/dbraw/zinc/15/76/26/1032157626.db2.gz NTGOZVWNUHDRJY-KRWDZBQOSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000080570036 1032157633 /nfs/dbraw/zinc/15/76/33/1032157633.db2.gz NTGOZVWNUHDRJY-KRWDZBQOSA-N 1 2 346.377 3.577 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(Cl)c1 ZINC000459498685 1032195906 /nfs/dbraw/zinc/19/59/06/1032195906.db2.gz BZVGAWOMJJCSMX-AHIWAGSCSA-N 1 2 327.827 3.556 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(Cl)c1 ZINC000459498685 1032195914 /nfs/dbraw/zinc/19/59/14/1032195914.db2.gz BZVGAWOMJJCSMX-AHIWAGSCSA-N 1 2 327.827 3.556 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)ccc1Br)C1CC1 ZINC000183306651 1032191122 /nfs/dbraw/zinc/19/11/22/1032191122.db2.gz OHOPMGLSHNRQNQ-AWEZNQCLSA-N 1 2 338.224 3.563 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910510 1032202146 /nfs/dbraw/zinc/20/21/46/1032202146.db2.gz NFDGKTUOBLYQAT-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910510 1032202158 /nfs/dbraw/zinc/20/21/58/1032202158.db2.gz NFDGKTUOBLYQAT-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccn1C ZINC000538207056 1032204891 /nfs/dbraw/zinc/20/48/91/1032204891.db2.gz BIAYXCBZRPWTST-PBHICJAKSA-N 1 2 332.879 3.561 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(CNc2[nH+]c(C)nc3[nH]ccc32)c1 ZINC000080956864 1032229265 /nfs/dbraw/zinc/22/92/65/1032229265.db2.gz GYPKLGNZUMPNHB-GFCCVEGCSA-N 1 2 337.427 3.863 20 0 EHADLO Cc1ccc(C(C)(C)C[N@H+](C)Cc2ncn(-c3ccccc3)n2)cc1 ZINC000536740613 1032236632 /nfs/dbraw/zinc/23/66/32/1032236632.db2.gz DCVRSJGBWFHCDF-UHFFFAOYSA-N 1 2 334.467 3.985 20 0 EHADLO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ncn(-c3ccccc3)n2)cc1 ZINC000536740613 1032236647 /nfs/dbraw/zinc/23/66/47/1032236647.db2.gz DCVRSJGBWFHCDF-UHFFFAOYSA-N 1 2 334.467 3.985 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cscn1 ZINC000647330321 1032247565 /nfs/dbraw/zinc/24/75/65/1032247565.db2.gz GYHPOFJKNRZLKE-GXFFZTMASA-N 1 2 346.374 3.816 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000184427217 1032270727 /nfs/dbraw/zinc/27/07/27/1032270727.db2.gz LKZLERADCJNJGH-MFUYTVRRSA-N 1 2 331.419 3.741 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000184374553 1032287459 /nfs/dbraw/zinc/28/74/59/1032287459.db2.gz FGJMSEQDHBNEON-AWEZNQCLSA-N 1 2 334.510 3.566 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184382922 1032289853 /nfs/dbraw/zinc/28/98/53/1032289853.db2.gz PNBUTHXXCUURRU-OAHLLOKOSA-N 1 2 343.386 3.593 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(F)cn2)no1)c1ccc(Cl)cc1 ZINC000904938583 1032299856 /nfs/dbraw/zinc/29/98/56/1032299856.db2.gz QYQFUDXRLBJDGW-AWEZNQCLSA-N 1 2 332.766 3.575 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000184620361 1032311334 /nfs/dbraw/zinc/31/13/34/1032311334.db2.gz PYBLRWDNKVCGHV-INIZCTEOSA-N 1 2 345.512 3.809 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2F)c2ccc(F)cc2)cn1 ZINC000184611168 1032308815 /nfs/dbraw/zinc/30/88/15/1032308815.db2.gz HBJKLHUKUQAEGZ-GOSISDBHSA-N 1 2 331.341 3.717 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000459599985 1032318043 /nfs/dbraw/zinc/31/80/43/1032318043.db2.gz ZMNOVWXIMMARNI-UHFFFAOYSA-N 1 2 342.418 3.872 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000459599985 1032318054 /nfs/dbraw/zinc/31/80/54/1032318054.db2.gz ZMNOVWXIMMARNI-UHFFFAOYSA-N 1 2 342.418 3.872 20 0 EHADLO CCCOc1ccc(C[NH+]2CC(c3nc(C)no3)C2)c(OCCC)c1 ZINC000459602332 1032322214 /nfs/dbraw/zinc/32/22/14/1032322214.db2.gz DKBBAHNWQCMYII-UHFFFAOYSA-N 1 2 345.443 3.555 20 0 EHADLO O=C(CC1CC(F)(F)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000449200301 1032325525 /nfs/dbraw/zinc/32/55/25/1032325525.db2.gz BRBDCQQLYDHNGR-UHFFFAOYSA-N 1 2 329.416 3.503 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)o2)cc1 ZINC000081575057 1032333139 /nfs/dbraw/zinc/33/31/39/1032333139.db2.gz ODKBKZHIXGEVCO-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)o2)cc1 ZINC000081575057 1032333152 /nfs/dbraw/zinc/33/31/52/1032333152.db2.gz ODKBKZHIXGEVCO-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(Oc2ccncc2)c1 ZINC000136189568 1032349032 /nfs/dbraw/zinc/34/90/32/1032349032.db2.gz MLEDHAAHGOAACN-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO CSc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nc1 ZINC000081755861 1032362907 /nfs/dbraw/zinc/36/29/07/1032362907.db2.gz DKPGABPYSSBVHC-MRXNPFEDSA-N 1 2 345.443 3.546 20 0 EHADLO CSc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)nc1 ZINC000081755861 1032362920 /nfs/dbraw/zinc/36/29/20/1032362920.db2.gz DKPGABPYSSBVHC-MRXNPFEDSA-N 1 2 345.443 3.546 20 0 EHADLO CC[C@@](O)(C[NH2+][C@@H](c1cccc(F)c1)c1ccccn1)C(F)(F)F ZINC000905189867 1032367130 /nfs/dbraw/zinc/36/71/30/1032367130.db2.gz ILQLOYPRIUQSSD-JKSUJKDBSA-N 1 2 342.336 3.603 20 0 EHADLO CC[C@@](O)(C[NH2+][C@H](c1cccc(F)c1)c1ccccn1)C(F)(F)F ZINC000905189866 1032367230 /nfs/dbraw/zinc/36/72/30/1032367230.db2.gz ILQLOYPRIUQSSD-HZPDHXFCSA-N 1 2 342.336 3.603 20 0 EHADLO CCn1c(C[NH2+][C@H](C)c2nc3c(s2)CCC3)nc2c1cccc2F ZINC000459634770 1032382683 /nfs/dbraw/zinc/38/26/83/1032382683.db2.gz RXOPINJBAOUYII-LLVKDONJSA-N 1 2 344.459 3.991 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000459634706 1032382828 /nfs/dbraw/zinc/38/28/28/1032382828.db2.gz IHNHWEGRGDPSFV-UHFFFAOYSA-N 1 2 344.768 3.695 20 0 EHADLO CCC(CC)[N@H+](CCOC)Cc1noc(Cc2ccccc2C)n1 ZINC000083170630 1032405106 /nfs/dbraw/zinc/40/51/06/1032405106.db2.gz OUYWQAHCOAUPSR-UHFFFAOYSA-N 1 2 331.460 3.606 20 0 EHADLO CCC(CC)[N@@H+](CCOC)Cc1noc(Cc2ccccc2C)n1 ZINC000083170630 1032405113 /nfs/dbraw/zinc/40/51/13/1032405113.db2.gz OUYWQAHCOAUPSR-UHFFFAOYSA-N 1 2 331.460 3.606 20 0 EHADLO CCCCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000459704014 1032412440 /nfs/dbraw/zinc/41/24/40/1032412440.db2.gz LXFOIKMAUGBNOP-UHFFFAOYSA-N 1 2 330.476 3.961 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000118867382 1032426952 /nfs/dbraw/zinc/42/69/52/1032426952.db2.gz CDMWDSINUHXTPN-MRXNPFEDSA-N 1 2 328.460 3.770 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000118867382 1032426956 /nfs/dbraw/zinc/42/69/56/1032426956.db2.gz CDMWDSINUHXTPN-MRXNPFEDSA-N 1 2 328.460 3.770 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000459727527 1032432906 /nfs/dbraw/zinc/43/29/06/1032432906.db2.gz GVSSMHZOQCMGNE-ZDUSSCGKSA-N 1 2 331.485 3.910 20 0 EHADLO CC(C)COc1ccccc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000449321267 1032452557 /nfs/dbraw/zinc/45/25/57/1032452557.db2.gz RYVAQKXLCJHHFI-UHFFFAOYSA-N 1 2 336.439 3.973 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536951067 1032459256 /nfs/dbraw/zinc/45/92/56/1032459256.db2.gz MGVUEFKTWNQFQP-CABCVRRESA-N 1 2 341.858 3.712 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536951067 1032459269 /nfs/dbraw/zinc/45/92/69/1032459269.db2.gz MGVUEFKTWNQFQP-CABCVRRESA-N 1 2 341.858 3.712 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459784024 1032466506 /nfs/dbraw/zinc/46/65/06/1032466506.db2.gz IQTHUDBVRMKBTN-OAHLLOKOSA-N 1 2 342.487 3.956 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1c(F)cccc1F ZINC000537026541 1032489664 /nfs/dbraw/zinc/48/96/64/1032489664.db2.gz KKVGWACRVMJFHE-CHWSQXEVSA-N 1 2 330.378 3.593 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1c(F)cccc1F ZINC000537026542 1032490056 /nfs/dbraw/zinc/49/00/56/1032490056.db2.gz KKVGWACRVMJFHE-OLZOCXBDSA-N 1 2 330.378 3.593 20 0 EHADLO COc1cc(C[NH2+]C(CF)CF)ccc1OCc1cccs1 ZINC000449371940 1032487074 /nfs/dbraw/zinc/48/70/74/1032487074.db2.gz AEJBLFDHLAKCSP-UHFFFAOYSA-N 1 2 327.396 3.733 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 ZINC000655621742 1017310048 /nfs/dbraw/zinc/31/00/48/1017310048.db2.gz SZRYZCNMTPASEE-XLIONFOSSA-N 1 2 338.455 3.502 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]1 ZINC000449404454 1032527347 /nfs/dbraw/zinc/52/73/47/1032527347.db2.gz BSBAYKWSMZGNPY-UHFFFAOYSA-N 1 2 332.757 3.890 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000449430339 1032546756 /nfs/dbraw/zinc/54/67/56/1032546756.db2.gz VZXXSKYEWZVUNG-HOCLYGCPSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000449430339 1032546764 /nfs/dbraw/zinc/54/67/64/1032546764.db2.gz VZXXSKYEWZVUNG-HOCLYGCPSA-N 1 2 325.836 3.702 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000528662131 1032548150 /nfs/dbraw/zinc/54/81/50/1032548150.db2.gz XCUJETLHALTGRP-SCLBCKFNSA-N 1 2 334.423 3.922 20 0 EHADLO O=C(Nc1ccc(Cl)cc1-n1cccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152206504 1032588124 /nfs/dbraw/zinc/58/81/24/1032588124.db2.gz FJIGMJPBGFPKDJ-CYBMUJFWSA-N 1 2 340.814 3.528 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000537292277 1032600771 /nfs/dbraw/zinc/60/07/71/1032600771.db2.gz XXSASKKIKDLFNO-OAHLLOKOSA-N 1 2 325.334 3.724 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000606238007 1032613984 /nfs/dbraw/zinc/61/39/84/1032613984.db2.gz ZKNIHPKNVVUKIQ-APWZRJJASA-N 1 2 344.499 3.982 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000606316347 1032623237 /nfs/dbraw/zinc/62/32/37/1032623237.db2.gz QLNFDKIXOAMJBZ-CQSZACIVSA-N 1 2 335.382 3.771 20 0 EHADLO CC(C)c1csc([S@](=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000593007539 1032638772 /nfs/dbraw/zinc/63/87/72/1032638772.db2.gz XTYHQALNRAWOEZ-HSZRJFAPSA-N 1 2 345.493 3.819 20 0 EHADLO COCc1cc(C[NH2+]Cc2ccccc2SC(F)(F)F)no1 ZINC000898278451 1033424600 /nfs/dbraw/zinc/42/46/00/1033424600.db2.gz IBXVKDTYTHUPEC-UHFFFAOYSA-N 1 2 332.347 3.723 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cccc(OC2CCCCC2)c1 ZINC000606371545 1032655163 /nfs/dbraw/zinc/65/51/63/1032655163.db2.gz DCPIFOUBWHVNET-UHFFFAOYSA-N 1 2 341.455 3.805 20 0 EHADLO C[C@@H](c1ccncc1)[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000606430933 1032679266 /nfs/dbraw/zinc/67/92/66/1032679266.db2.gz XUJZLCUMOLSMSL-HNNXBMFYSA-N 1 2 338.480 3.570 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nsc3ccccc23)cc1OC ZINC000659826633 1017120342 /nfs/dbraw/zinc/12/03/42/1017120342.db2.gz JFXCORSWUARKHI-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nsc3ccccc23)cc1OC ZINC000659826633 1017120353 /nfs/dbraw/zinc/12/03/53/1017120353.db2.gz JFXCORSWUARKHI-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000890854519 1017163581 /nfs/dbraw/zinc/16/35/81/1017163581.db2.gz FDBRGGCIMDAHRQ-SNVBAGLBSA-N 1 2 343.374 3.517 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000890854519 1017163587 /nfs/dbraw/zinc/16/35/87/1017163587.db2.gz FDBRGGCIMDAHRQ-SNVBAGLBSA-N 1 2 343.374 3.517 20 0 EHADLO Cc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)nn1[C@@H](C)C1CC1 ZINC000562893096 1032684148 /nfs/dbraw/zinc/68/41/48/1032684148.db2.gz DXXMICLJROPZQQ-AWEZNQCLSA-N 1 2 327.432 3.549 20 0 EHADLO CCn1ccnc1C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000449505770 1032687605 /nfs/dbraw/zinc/68/76/05/1032687605.db2.gz XQOPRQANCNQLRW-CQSZACIVSA-N 1 2 334.261 3.655 20 0 EHADLO CCn1ccnc1C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000449505770 1032687609 /nfs/dbraw/zinc/68/76/09/1032687609.db2.gz XQOPRQANCNQLRW-CQSZACIVSA-N 1 2 334.261 3.655 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3F)s2)cnn1C ZINC000549130696 1017266817 /nfs/dbraw/zinc/26/68/17/1017266817.db2.gz GROMOPZGFMZOBM-GHMZBOCLSA-N 1 2 345.447 3.798 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)c1ccc(F)cc1 ZINC000606449726 1032695677 /nfs/dbraw/zinc/69/56/77/1032695677.db2.gz CEFZNQJUMYVXTJ-ZIAGYGMSSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)c1ccc(F)cc1 ZINC000606449726 1032695688 /nfs/dbraw/zinc/69/56/88/1032695688.db2.gz CEFZNQJUMYVXTJ-ZIAGYGMSSA-N 1 2 344.405 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CCC(F)(F)CC1)C2 ZINC000377170312 1017379222 /nfs/dbraw/zinc/37/92/22/1017379222.db2.gz TUVXDQNQTNVNQO-GFCCVEGCSA-N 1 2 339.430 3.674 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CCC(F)(F)CC1)CC2 ZINC000377170312 1017379234 /nfs/dbraw/zinc/37/92/34/1017379234.db2.gz TUVXDQNQTNVNQO-GFCCVEGCSA-N 1 2 339.430 3.674 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449452 1032694036 /nfs/dbraw/zinc/69/40/36/1032694036.db2.gz WXDXBCMKEWTACI-HOTGVXAUSA-N 1 2 340.442 3.964 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449452 1032694043 /nfs/dbraw/zinc/69/40/43/1032694043.db2.gz WXDXBCMKEWTACI-HOTGVXAUSA-N 1 2 340.442 3.964 20 0 EHADLO Cc1ccc2nc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000340407197 1017448044 /nfs/dbraw/zinc/44/80/44/1017448044.db2.gz FWJMANMUGGPRQH-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334353 1017489619 /nfs/dbraw/zinc/48/96/19/1017489619.db2.gz QBHJAJIZACJENM-IRXDYDNUSA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334353 1017489626 /nfs/dbraw/zinc/48/96/26/1017489626.db2.gz QBHJAJIZACJENM-IRXDYDNUSA-N 1 2 327.827 3.668 20 0 EHADLO Cc1cc(N[C@@H]2CCCn3ccnc32)c[nH+]c1N1CCCC[C@@H]1C ZINC000655750660 1017540081 /nfs/dbraw/zinc/54/00/81/1017540081.db2.gz DXOLPSHHJMIASQ-DOTOQJQBSA-N 1 2 325.460 3.912 20 0 EHADLO CCOc1c(C[NH2+][C@H](C)c2nc(C)cs2)c(C)nn1CC(C)C ZINC000892855740 1017593402 /nfs/dbraw/zinc/59/34/02/1017593402.db2.gz KHGLDQUYLFOEDH-CQSZACIVSA-N 1 2 336.505 3.862 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc2ccccc2s1 ZINC000655794910 1017630060 /nfs/dbraw/zinc/63/00/60/1017630060.db2.gz VCHLDBSFQDXSOY-DGCLKSJQSA-N 1 2 328.441 3.722 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(C)cn1)c1cc(F)cc(Br)c1 ZINC000362565295 1017642122 /nfs/dbraw/zinc/64/21/22/1017642122.db2.gz AMJMETAEHGBSBG-CQSZACIVSA-N 1 2 338.224 3.928 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000579948603 1017657639 /nfs/dbraw/zinc/65/76/39/1017657639.db2.gz OUEHVKRXFJIKHD-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000579948603 1017657643 /nfs/dbraw/zinc/65/76/43/1017657643.db2.gz OUEHVKRXFJIKHD-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000377381559 1017722923 /nfs/dbraw/zinc/72/29/23/1017722923.db2.gz IWVUNMOAHYKEDY-RMLUDKJBSA-N 1 2 326.165 3.793 20 0 EHADLO COc1cc(Cl)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000377429017 1017791465 /nfs/dbraw/zinc/79/14/65/1017791465.db2.gz CVVWCIHJCWWNHT-ZDUSSCGKSA-N 1 2 348.834 3.723 20 0 EHADLO O=C(/C=C/c1cc2ccccc2o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000377425122 1017793167 /nfs/dbraw/zinc/79/31/67/1017793167.db2.gz IYXWPCKENXMKQE-CMDGGOBGSA-N 1 2 347.418 3.626 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C)cc2)s1 ZINC000122111633 1017844874 /nfs/dbraw/zinc/84/48/74/1017844874.db2.gz SMLHHWCNAQMNAP-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C)cc2)s1 ZINC000122111633 1017844894 /nfs/dbraw/zinc/84/48/94/1017844894.db2.gz SMLHHWCNAQMNAP-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO CCOC[C@@H]1CC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000177632103 1017908623 /nfs/dbraw/zinc/90/86/23/1017908623.db2.gz BYVRKHFCYCFPHL-GFCCVEGCSA-N 1 2 341.427 3.883 20 0 EHADLO CCOC[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000177632103 1017908633 /nfs/dbraw/zinc/90/86/33/1017908633.db2.gz BYVRKHFCYCFPHL-GFCCVEGCSA-N 1 2 341.427 3.883 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ncsc1C(C)C)C2 ZINC000579977336 1017947504 /nfs/dbraw/zinc/94/75/04/1017947504.db2.gz BBGNFFABHULBLP-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ncsc1C(C)C)CC2 ZINC000579977336 1017947510 /nfs/dbraw/zinc/94/75/10/1017947510.db2.gz BBGNFFABHULBLP-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547991748 1018006818 /nfs/dbraw/zinc/00/68/18/1018006818.db2.gz QFKQNSDYPSSEHR-JTQLQIEISA-N 1 2 339.226 3.635 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613675402 1018007775 /nfs/dbraw/zinc/00/77/75/1018007775.db2.gz JVWNJAVMDGAFSP-IAGOWNOFSA-N 1 2 345.874 3.797 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000659849966 1018069171 /nfs/dbraw/zinc/06/91/71/1018069171.db2.gz VOAXJBAXZCVYPZ-IBGZPJMESA-N 1 2 339.826 3.857 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000659849966 1018069181 /nfs/dbraw/zinc/06/91/81/1018069181.db2.gz VOAXJBAXZCVYPZ-IBGZPJMESA-N 1 2 339.826 3.857 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708347 1018101852 /nfs/dbraw/zinc/10/18/52/1018101852.db2.gz GQVLTFXDRTYODI-BEFAXECRSA-N 1 2 344.430 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708347 1018101861 /nfs/dbraw/zinc/10/18/61/1018101861.db2.gz GQVLTFXDRTYODI-BEFAXECRSA-N 1 2 344.430 3.849 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000377645487 1018115058 /nfs/dbraw/zinc/11/50/58/1018115058.db2.gz SYZFCCLCRWWLCE-AWEZNQCLSA-N 1 2 328.416 3.608 20 0 EHADLO O=C(Nc1ccccc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626183069 1018160510 /nfs/dbraw/zinc/16/05/10/1018160510.db2.gz NNNDFNIHWBFZPP-UHFFFAOYSA-N 1 2 334.423 3.518 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000644659204 1018162702 /nfs/dbraw/zinc/16/27/02/1018162702.db2.gz XIBCWDBZRZSNRZ-UHFFFAOYSA-N 1 2 333.435 3.801 20 0 EHADLO COCC[N@H+](Cc1cn(C)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858664 1018178881 /nfs/dbraw/zinc/17/88/81/1018178881.db2.gz DIGSLBJBKKVTKE-ZDUSSCGKSA-N 1 2 341.377 3.649 20 0 EHADLO COCC[N@@H+](Cc1cn(C)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858664 1018178885 /nfs/dbraw/zinc/17/88/85/1018178885.db2.gz DIGSLBJBKKVTKE-ZDUSSCGKSA-N 1 2 341.377 3.649 20 0 EHADLO C[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000020633373 1018196346 /nfs/dbraw/zinc/19/63/46/1018196346.db2.gz HREGZSFULYIOMO-UHFFFAOYSA-N 1 2 336.435 3.548 20 0 EHADLO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000020633373 1018196354 /nfs/dbraw/zinc/19/63/54/1018196354.db2.gz HREGZSFULYIOMO-UHFFFAOYSA-N 1 2 336.435 3.548 20 0 EHADLO Cc1c(F)cccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001204510502 1018211653 /nfs/dbraw/zinc/21/16/53/1018211653.db2.gz MVEFICAPUOSKQS-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757234 1032749798 /nfs/dbraw/zinc/74/97/98/1032749798.db2.gz ICIIZWQAMLSAGB-MOPGFXCFSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757234 1032749813 /nfs/dbraw/zinc/74/98/13/1032749813.db2.gz ICIIZWQAMLSAGB-MOPGFXCFSA-N 1 2 331.843 3.665 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)c3c(F)cccc3F)ccc2[nH+]1 ZINC000606570304 1032751946 /nfs/dbraw/zinc/75/19/46/1032751946.db2.gz KOKAAEYKDMSCKQ-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO Cc1cn2cc(NC(=O)NCC3(c4ccc(F)cc4)CC3)ccc2[nH+]1 ZINC000606570293 1032752878 /nfs/dbraw/zinc/75/28/78/1032752878.db2.gz JPNSSFQOONIXME-UHFFFAOYSA-N 1 2 338.386 3.635 20 0 EHADLO CC(C)CCc1noc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000548021966 1018294648 /nfs/dbraw/zinc/29/46/48/1018294648.db2.gz RFUWSUKPRQUAKK-MRXNPFEDSA-N 1 2 343.475 3.597 20 0 EHADLO O=C(NCc1cccc(-c2cccnc2)c1)Nc1ccn2cc[nH+]c2c1 ZINC000377745802 1018307880 /nfs/dbraw/zinc/30/78/80/1018307880.db2.gz BPAZLACGXYMNHM-UHFFFAOYSA-N 1 2 343.390 3.718 20 0 EHADLO O=C(NCCOc1ccc2ccccc2c1)Nc1ccc2[nH+]ccn2c1 ZINC000606582162 1032767750 /nfs/dbraw/zinc/76/77/50/1032767750.db2.gz FDIPRWFSERBVEA-UHFFFAOYSA-N 1 2 346.390 3.688 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000606583673 1032766692 /nfs/dbraw/zinc/76/66/92/1032766692.db2.gz JYIJEHCYXZCWBP-AEFFLSMTSA-N 1 2 334.423 3.867 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2csc(C(F)(F)F)n2)C(C)(C)C)cn1 ZINC000893098670 1018475020 /nfs/dbraw/zinc/47/50/20/1018475020.db2.gz RECBAHCURFURBQ-NSHDSACASA-N 1 2 332.395 3.772 20 0 EHADLO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000340563176 1018480242 /nfs/dbraw/zinc/48/02/42/1018480242.db2.gz NRMRNSQYGUBHCR-ZDUSSCGKSA-N 1 2 346.377 3.521 20 0 EHADLO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000340563176 1018480249 /nfs/dbraw/zinc/48/02/49/1018480249.db2.gz NRMRNSQYGUBHCR-ZDUSSCGKSA-N 1 2 346.377 3.521 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(OC(F)F)c1 ZINC000606580917 1032768111 /nfs/dbraw/zinc/76/81/11/1032768111.db2.gz JJYINHNUKVXQNB-LLVKDONJSA-N 1 2 346.337 3.818 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cncc(OCc3ccccc3)c2)cn1 ZINC000683783986 1018543775 /nfs/dbraw/zinc/54/37/75/1018543775.db2.gz AWCPXIKJKSCLKI-UHFFFAOYSA-N 1 2 349.434 3.696 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cncc(OCc3ccccc3)c2)cn1 ZINC000683783986 1018543786 /nfs/dbraw/zinc/54/37/86/1018543786.db2.gz AWCPXIKJKSCLKI-UHFFFAOYSA-N 1 2 349.434 3.696 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000129459600 1018550779 /nfs/dbraw/zinc/55/07/79/1018550779.db2.gz YHCMBNNPIADEFF-VQTJNVASSA-N 1 2 349.478 3.800 20 0 EHADLO C[C@H](CC(=O)NCC1(c2cccc(F)c2)CCCCC1)n1cc[nH+]c1 ZINC000651178455 1018563645 /nfs/dbraw/zinc/56/36/45/1018563645.db2.gz LVHOJZGFJOPVRL-MRXNPFEDSA-N 1 2 343.446 3.992 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CCCc3ccc(Cl)cc3)sc2C1 ZINC000044904636 1018566308 /nfs/dbraw/zinc/56/63/08/1018566308.db2.gz OPDVWFXLWCCPNE-UHFFFAOYSA-N 1 2 349.887 3.746 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CCCc3ccc(Cl)cc3)sc2C1 ZINC000044904636 1018566322 /nfs/dbraw/zinc/56/63/22/1018566322.db2.gz OPDVWFXLWCCPNE-UHFFFAOYSA-N 1 2 349.887 3.746 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3C[C@@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069974 1018590472 /nfs/dbraw/zinc/59/04/72/1018590472.db2.gz JXHHZIFHQWMXFB-HUUCEWRRSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3C[C@@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069974 1018590484 /nfs/dbraw/zinc/59/04/84/1018590484.db2.gz JXHHZIFHQWMXFB-HUUCEWRRSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3C[C@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069975 1018591169 /nfs/dbraw/zinc/59/11/69/1018591169.db2.gz JXHHZIFHQWMXFB-LSDHHAIUSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3C[C@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069975 1018591180 /nfs/dbraw/zinc/59/11/80/1018591180.db2.gz JXHHZIFHQWMXFB-LSDHHAIUSA-N 1 2 327.428 3.749 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000580092494 1018634483 /nfs/dbraw/zinc/63/44/83/1018634483.db2.gz ICVXRKSLINYGES-CRAIPNDOSA-N 1 2 325.456 3.904 20 0 EHADLO C[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H]1c1ccccc1 ZINC001125421499 1018646563 /nfs/dbraw/zinc/64/65/63/1018646563.db2.gz VGAXFXBQZYMMDJ-UTKZUKDTSA-N 1 2 349.409 3.821 20 0 EHADLO Cn1ccc(CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)cc1=O ZINC001168402332 1032776906 /nfs/dbraw/zinc/77/69/06/1032776906.db2.gz UUUBYOMGOWOTAN-UHFFFAOYSA-N 1 2 330.391 3.541 20 0 EHADLO CC(C)Cn1ncc(NC(=O)Nc2ccn3cc[nH+]c3c2)c1C(C)C ZINC000580135925 1018696365 /nfs/dbraw/zinc/69/63/65/1018696365.db2.gz YVWNOYUQRLDEBA-UHFFFAOYSA-N 1 2 340.431 3.954 20 0 EHADLO C[C@@H](c1cccnc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255303995 1018916498 /nfs/dbraw/zinc/91/64/98/1018916498.db2.gz XHEXDHBMKVQJFO-BJIFSAINSA-N 1 2 332.407 3.500 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@@H]3C)n2)cc1 ZINC000528771881 1032795429 /nfs/dbraw/zinc/79/54/29/1032795429.db2.gz YZZWXRXZUCZEHA-LBPRGKRZSA-N 1 2 337.370 3.755 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CCC(F)(F)C[C@@H]3C)n2)cc1 ZINC000528771881 1032795443 /nfs/dbraw/zinc/79/54/43/1032795443.db2.gz YZZWXRXZUCZEHA-LBPRGKRZSA-N 1 2 337.370 3.755 20 0 EHADLO C[C@H](CC(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000580316874 1019008713 /nfs/dbraw/zinc/00/87/13/1019008713.db2.gz FEVKFQBFVWXQDM-NBMJBFSESA-N 1 2 325.456 3.923 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)n1cc[nH+]c1 ZINC000580316872 1019009067 /nfs/dbraw/zinc/00/90/67/1019009067.db2.gz FEVKFQBFVWXQDM-DKKFBQAASA-N 1 2 325.456 3.923 20 0 EHADLO Nc1ccc(F)c(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001211824692 1019049494 /nfs/dbraw/zinc/04/94/94/1019049494.db2.gz PWFVTWMKOMCVDU-UHFFFAOYSA-N 1 2 332.176 3.884 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000340656446 1019118806 /nfs/dbraw/zinc/11/88/06/1019118806.db2.gz ROMHMSXNQQEYFQ-UHFFFAOYSA-N 1 2 338.451 3.740 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000340656446 1019118812 /nfs/dbraw/zinc/11/88/12/1019118812.db2.gz ROMHMSXNQQEYFQ-UHFFFAOYSA-N 1 2 338.451 3.740 20 0 EHADLO Cc1ccccc1N1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052660850 1019172309 /nfs/dbraw/zinc/17/23/09/1019172309.db2.gz ZQDUVWZPDRGKLI-KRWDZBQOSA-N 1 2 348.450 3.928 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803652 1019265787 /nfs/dbraw/zinc/26/57/87/1019265787.db2.gz RDDMNSQFGGBKMK-SMDDNHRTSA-N 1 2 335.860 3.961 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803652 1019265794 /nfs/dbraw/zinc/26/57/94/1019265794.db2.gz RDDMNSQFGGBKMK-SMDDNHRTSA-N 1 2 335.860 3.961 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CC[S@]1=O ZINC000449571672 1032824720 /nfs/dbraw/zinc/82/47/20/1032824720.db2.gz KYTPABMZOQGWPG-HSZRJFAPSA-N 1 2 335.444 3.819 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CC[S@]1=O ZINC000449571672 1032824733 /nfs/dbraw/zinc/82/47/33/1032824733.db2.gz KYTPABMZOQGWPG-HSZRJFAPSA-N 1 2 335.444 3.819 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCCCC1 ZINC000471577867 1019356571 /nfs/dbraw/zinc/35/65/71/1019356571.db2.gz MNAXJJCSQOEHLN-QGZVFWFLSA-N 1 2 328.460 3.832 20 0 EHADLO COc1cccc2c(N[C@H]3CCO[C@]4(CCSC4)C3)cc[nH+]c12 ZINC000275885771 1019391068 /nfs/dbraw/zinc/39/10/68/1019391068.db2.gz XEFDGNOYRAHGKF-SCLBCKFNSA-N 1 2 330.453 3.710 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ncccn1)CCS2 ZINC000580466713 1019414455 /nfs/dbraw/zinc/41/44/55/1019414455.db2.gz JUXLGHMORQMSHC-LBPRGKRZSA-N 1 2 336.258 3.566 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449573800 1032829864 /nfs/dbraw/zinc/82/98/64/1032829864.db2.gz SDVVBDCPOXTNPB-YVEFUNNKSA-N 1 2 341.846 3.826 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000053760223 1019448974 /nfs/dbraw/zinc/44/89/74/1019448974.db2.gz JAYPNYYOTLLHHR-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053760223 1019448982 /nfs/dbraw/zinc/44/89/82/1019448982.db2.gz JAYPNYYOTLLHHR-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593808 1032832338 /nfs/dbraw/zinc/83/23/38/1032832338.db2.gz ZKCSZTXKCFZBFT-KRWDZBQOSA-N 1 2 340.448 3.878 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593808 1032832353 /nfs/dbraw/zinc/83/23/53/1032832353.db2.gz ZKCSZTXKCFZBFT-KRWDZBQOSA-N 1 2 340.448 3.878 20 0 EHADLO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1nnnn1CC1CC1 ZINC000471585516 1019511166 /nfs/dbraw/zinc/51/11/66/1019511166.db2.gz MRHRYMCIWBTCGJ-CYBMUJFWSA-N 1 2 339.443 3.551 20 0 EHADLO C[C@@](O)(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000580543624 1019590637 /nfs/dbraw/zinc/59/06/37/1019590637.db2.gz LZXJXDYRMHYZGV-LSDHHAIUSA-N 1 2 344.764 3.727 20 0 EHADLO COc1cc(C)sc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754499630 1019610017 /nfs/dbraw/zinc/61/00/17/1019610017.db2.gz NMEHQUVPIDYMNG-UHFFFAOYSA-N 1 2 328.393 3.608 20 0 EHADLO C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)c2ncnn21 ZINC000664189048 1019718622 /nfs/dbraw/zinc/71/86/22/1019718622.db2.gz WHYALZHVRFEEPH-TVQRCGJNSA-N 1 2 344.216 3.707 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656260496 1019744344 /nfs/dbraw/zinc/74/43/44/1019744344.db2.gz QBQGOWDKFKITPR-UHFFFAOYSA-N 1 2 328.391 3.502 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656260496 1019744355 /nfs/dbraw/zinc/74/43/55/1019744355.db2.gz QBQGOWDKFKITPR-UHFFFAOYSA-N 1 2 328.391 3.502 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000077309550 1019787125 /nfs/dbraw/zinc/78/71/25/1019787125.db2.gz ZBSVEVLCXXREEX-OALUTQOASA-N 1 2 325.456 3.581 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000077309553 1019788109 /nfs/dbraw/zinc/78/81/09/1019788109.db2.gz ZBSVEVLCXXREEX-RBUKOAKNSA-N 1 2 325.456 3.581 20 0 EHADLO CC(C)CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433932512 1019792505 /nfs/dbraw/zinc/79/25/05/1019792505.db2.gz IOAQZHXGMJWCEX-UHFFFAOYSA-N 1 2 332.492 3.545 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC001167428507 1019806208 /nfs/dbraw/zinc/80/62/08/1019806208.db2.gz BQKRIFNAXFCGGX-ZBFHGGJFSA-N 1 2 327.299 3.777 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC001167428507 1019806223 /nfs/dbraw/zinc/80/62/23/1019806223.db2.gz BQKRIFNAXFCGGX-ZBFHGGJFSA-N 1 2 327.299 3.777 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CC(C)(C)C1 ZINC000513611350 1019870393 /nfs/dbraw/zinc/87/03/93/1019870393.db2.gz ISKMRWQJLQJHSM-UHFFFAOYSA-N 1 2 329.488 3.583 20 0 EHADLO CCOCc1cc(C[N@@H+]2Cc3ccc(OC)cc3C2)ccc1OC ZINC000656274957 1019875222 /nfs/dbraw/zinc/87/52/22/1019875222.db2.gz HNFNWTRKJBNOBM-UHFFFAOYSA-N 1 2 327.424 3.756 20 0 EHADLO CCOCc1cc(C[N@H+]2Cc3ccc(OC)cc3C2)ccc1OC ZINC000656274957 1019875234 /nfs/dbraw/zinc/87/52/34/1019875234.db2.gz HNFNWTRKJBNOBM-UHFFFAOYSA-N 1 2 327.424 3.756 20 0 EHADLO CC[C@H](C)CCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000513617562 1019875688 /nfs/dbraw/zinc/87/56/88/1019875688.db2.gz VBZPTJPJJWXPIX-KRWDZBQOSA-N 1 2 331.504 3.973 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000050448026 1019932100 /nfs/dbraw/zinc/93/21/00/1019932100.db2.gz CRWBPYAPMSSPST-OLZOCXBDSA-N 1 2 344.377 3.692 20 0 EHADLO Cc1sc(CNc2cc(N3CCSCC3)nc[nH+]2)nc1C(C)C ZINC000434081592 1019932992 /nfs/dbraw/zinc/93/29/92/1019932992.db2.gz DZSUVBIXWQYILY-UHFFFAOYSA-N 1 2 349.529 3.530 20 0 EHADLO Cc1sc(CNc2cc(N3CCSCC3)[nH+]cn2)nc1C(C)C ZINC000434081592 1019932995 /nfs/dbraw/zinc/93/29/95/1019932995.db2.gz DZSUVBIXWQYILY-UHFFFAOYSA-N 1 2 349.529 3.530 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C/c1cccc(F)c1 ZINC000430504248 1019943515 /nfs/dbraw/zinc/94/35/15/1019943515.db2.gz MNTQXVVKTXNSGZ-VMPITWQZSA-N 1 2 343.446 3.927 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340749529 1019946702 /nfs/dbraw/zinc/94/67/02/1019946702.db2.gz WOUAYXHUTDXGMC-LEWJYISDSA-N 1 2 345.446 3.741 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000345168409 1020003107 /nfs/dbraw/zinc/00/31/07/1020003107.db2.gz DXFZQNINODEEBP-VQHPVUNQSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043558 1020039314 /nfs/dbraw/zinc/03/93/14/1020039314.db2.gz BGUKDEJGWOQJGZ-QAPCUYQASA-N 1 2 330.472 3.770 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043558 1020039327 /nfs/dbraw/zinc/03/93/27/1020039327.db2.gz BGUKDEJGWOQJGZ-QAPCUYQASA-N 1 2 330.472 3.770 20 0 EHADLO CC(C)COc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000126434477 1020045231 /nfs/dbraw/zinc/04/52/31/1020045231.db2.gz DQZPYJUUHHVEPD-UHFFFAOYSA-N 1 2 341.455 3.565 20 0 EHADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280121642 1020075477 /nfs/dbraw/zinc/07/54/77/1020075477.db2.gz VWRZVVKULMMDES-GFCCVEGCSA-N 1 2 337.427 3.857 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cscn2)cc1 ZINC000280109482 1020091795 /nfs/dbraw/zinc/09/17/95/1020091795.db2.gz AYKPDIPYVLUWGX-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cscn2)cc1 ZINC000280109482 1020091802 /nfs/dbraw/zinc/09/18/02/1020091802.db2.gz AYKPDIPYVLUWGX-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c[nH+]1 ZINC000897593359 1032883722 /nfs/dbraw/zinc/88/37/22/1032883722.db2.gz BBYHBNIAFZNHQM-AEFFLSMTSA-N 1 2 325.456 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292010393 1020181667 /nfs/dbraw/zinc/18/16/67/1020181667.db2.gz OIZBMTDDEDQHPA-SNVBAGLBSA-N 1 2 341.242 3.630 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)cc1 ZINC001143381559 1020182290 /nfs/dbraw/zinc/18/22/90/1020182290.db2.gz GPMDORFZAYHFMG-UHFFFAOYSA-N 1 2 340.442 3.967 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4[nH+]ccn43)cc2)C[C@H](C)O1 ZINC000280245712 1020205209 /nfs/dbraw/zinc/20/52/09/1020205209.db2.gz YNIIBLFBJNBFGB-IYBDPMFKSA-N 1 2 336.439 3.560 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c[nH+]cn1C ZINC000280235329 1020218767 /nfs/dbraw/zinc/21/87/67/1020218767.db2.gz SOZRIRIPUWPOKQ-SFHVURJKSA-N 1 2 327.472 3.531 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000280283418 1020251941 /nfs/dbraw/zinc/25/19/41/1020251941.db2.gz OFDAXWCEWKNXAC-GFCCVEGCSA-N 1 2 343.377 3.843 20 0 EHADLO COc1ccc(F)cc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000345451878 1020264932 /nfs/dbraw/zinc/26/49/32/1020264932.db2.gz BIOHAHBYJBUJTI-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO COc1ccc(F)cc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000345451878 1020264940 /nfs/dbraw/zinc/26/49/40/1020264940.db2.gz BIOHAHBYJBUJTI-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)sc2C1 ZINC001143385811 1020281917 /nfs/dbraw/zinc/28/19/17/1020281917.db2.gz UZMOYSUZOOEGID-OCCSQVGLSA-N 1 2 335.517 3.859 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)sc2C1 ZINC001143385811 1020281924 /nfs/dbraw/zinc/28/19/24/1020281924.db2.gz UZMOYSUZOOEGID-OCCSQVGLSA-N 1 2 335.517 3.859 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)nc2ccccc12 ZINC000280325761 1020293423 /nfs/dbraw/zinc/29/34/23/1020293423.db2.gz GYDLEYQDMUFWOR-IFXJQAMLSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)nc2ccccc12 ZINC000280325761 1020293429 /nfs/dbraw/zinc/29/34/29/1020293429.db2.gz GYDLEYQDMUFWOR-IFXJQAMLSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345497541 1020319088 /nfs/dbraw/zinc/31/90/88/1020319088.db2.gz ZUNTWKAJWNAJRC-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000602447750 1032894877 /nfs/dbraw/zinc/89/48/77/1032894877.db2.gz XTNRXKOULHTIOU-IEBWSBKVSA-N 1 2 338.455 3.689 20 0 EHADLO O=C(NCCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000345645285 1020413908 /nfs/dbraw/zinc/41/39/08/1020413908.db2.gz UWRGLRZDWBBNDY-OCABNYQQSA-N 1 2 327.472 3.552 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1nccs1 ZINC000606912909 1032899514 /nfs/dbraw/zinc/89/95/14/1032899514.db2.gz NYENCHHFQATKTQ-XIKOKIGWSA-N 1 2 332.469 3.890 20 0 EHADLO C[C@H]1C[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890594 1020526332 /nfs/dbraw/zinc/52/63/32/1020526332.db2.gz JCFFJPGHMIRACD-UONOGXRCSA-N 1 2 349.837 3.751 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000048327912 1020607115 /nfs/dbraw/zinc/60/71/15/1020607115.db2.gz QQZXYXBRQJUKPQ-ZDUSSCGKSA-N 1 2 334.379 3.993 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000581295028 1020641714 /nfs/dbraw/zinc/64/17/14/1020641714.db2.gz BHVHUNNEILCWII-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO FC(F)(F)C1CC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000340936865 1020651069 /nfs/dbraw/zinc/65/10/69/1020651069.db2.gz JUTVFCDSVDPJOL-UHFFFAOYSA-N 1 2 333.317 3.568 20 0 EHADLO CCCc1csc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000581303539 1020653148 /nfs/dbraw/zinc/65/31/48/1020653148.db2.gz DGOADXXGVAVWON-CQSZACIVSA-N 1 2 336.423 3.621 20 0 EHADLO Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000340951358 1020669160 /nfs/dbraw/zinc/66/91/60/1020669160.db2.gz OBVVIUQQEPYJPP-WBVHZDCISA-N 1 2 329.831 3.680 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)CCc2nccs2)c1=S ZINC000157118353 1020728742 /nfs/dbraw/zinc/72/87/42/1020728742.db2.gz SXRCZRRPPKQTSX-UHFFFAOYSA-N 1 2 344.509 3.812 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)CCc2nccs2)c1=S ZINC000157118353 1020728747 /nfs/dbraw/zinc/72/87/47/1020728747.db2.gz SXRCZRRPPKQTSX-UHFFFAOYSA-N 1 2 344.509 3.812 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)[nH+]1 ZINC000069808196 1020803779 /nfs/dbraw/zinc/80/37/79/1020803779.db2.gz HBTMRJIYTXXYRC-ZDUSSCGKSA-N 1 2 344.484 3.918 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000089879298 1020818764 /nfs/dbraw/zinc/81/87/64/1020818764.db2.gz OBNAVTRUHAIAKP-IBGZPJMESA-N 1 2 325.456 3.677 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc3ccc(Cl)cc3n1)C2 ZINC000933256773 1020830118 /nfs/dbraw/zinc/83/01/18/1020830118.db2.gz POBPBFFMOYCHBC-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(F)cc3OCC(F)F)ccn12 ZINC001266730235 1020892070 /nfs/dbraw/zinc/89/20/70/1020892070.db2.gz WUXRUDMYQWIZRR-UHFFFAOYSA-N 1 2 349.312 3.678 20 0 EHADLO CCc1ncsc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341060210 1020945920 /nfs/dbraw/zinc/94/59/20/1020945920.db2.gz RPJGZAHZDJYHCV-UHFFFAOYSA-N 1 2 347.488 3.626 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000341155759 1021024346 /nfs/dbraw/zinc/02/43/46/1021024346.db2.gz YEVZYXQZLFBNKM-XYJFISCASA-N 1 2 345.487 3.702 20 0 EHADLO CCn1cc(CC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cn1 ZINC000276341955 1021056907 /nfs/dbraw/zinc/05/69/07/1021056907.db2.gz UDWPWFJKJBGUFQ-KBXCAEBGSA-N 1 2 333.863 3.561 20 0 EHADLO CCn1cc(CC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cn1 ZINC000276341955 1021056911 /nfs/dbraw/zinc/05/69/11/1021056911.db2.gz UDWPWFJKJBGUFQ-KBXCAEBGSA-N 1 2 333.863 3.561 20 0 EHADLO CCN1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1=O ZINC000656642369 1021073151 /nfs/dbraw/zinc/07/31/51/1021073151.db2.gz OWOLHBWJMQODGO-ROUUACIJSA-N 1 2 346.833 3.779 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(O)c1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000449647728 1032954854 /nfs/dbraw/zinc/95/48/54/1032954854.db2.gz QSAMOKHMHVDJDO-OLZOCXBDSA-N 1 2 344.842 3.502 20 0 EHADLO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1nc(C(C)(C)C)no1 ZINC000581584413 1021113684 /nfs/dbraw/zinc/11/36/84/1021113684.db2.gz WRJIOUHJYWZFJR-MJVIPROJSA-N 1 2 335.473 3.782 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3cccc(OC)c3)o2)cc1 ZINC000341218794 1021117088 /nfs/dbraw/zinc/11/70/88/1021117088.db2.gz LFHGUCMLKAPVOG-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000341219901 1021120881 /nfs/dbraw/zinc/12/08/81/1021120881.db2.gz LJFXAASEIYILTF-VHSXEESVSA-N 1 2 329.322 3.942 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1c(F)cccc1F ZINC000341221620 1021123189 /nfs/dbraw/zinc/12/31/89/1021123189.db2.gz QPPPWDORXWWAIV-AWEZNQCLSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@H](OC1CCCC1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341239349 1021151597 /nfs/dbraw/zinc/15/15/97/1021151597.db2.gz LBBJIQYYXJFESX-IBGZPJMESA-N 1 2 347.503 3.640 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc(F)cc1Cl ZINC000656682542 1021162976 /nfs/dbraw/zinc/16/29/76/1021162976.db2.gz UFGFEYFCXOIFSP-IUCAKERBSA-N 1 2 327.812 3.613 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000439147797 1021181359 /nfs/dbraw/zinc/18/13/59/1021181359.db2.gz UZKRQNVAPFZBAT-UHFFFAOYSA-N 1 2 327.472 3.665 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)oc1C ZINC000075863302 1021187220 /nfs/dbraw/zinc/18/72/20/1021187220.db2.gz KSWWYVNTHULSMJ-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)s2)c(C)c1 ZINC000427203740 1021211423 /nfs/dbraw/zinc/21/14/23/1021211423.db2.gz IGKVFMVRRACMCM-MRXNPFEDSA-N 1 2 341.480 3.992 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)s2)c(C)c1 ZINC000427203740 1021211434 /nfs/dbraw/zinc/21/14/34/1021211434.db2.gz IGKVFMVRRACMCM-MRXNPFEDSA-N 1 2 341.480 3.992 20 0 EHADLO CCc1cccnc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000507440335 1021267498 /nfs/dbraw/zinc/26/74/98/1021267498.db2.gz IASSLKSNRPKDAC-XHSDSOJGSA-N 1 2 340.471 3.826 20 0 EHADLO CC(C)(C)c1ccc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000581651155 1021274805 /nfs/dbraw/zinc/27/48/05/1021274805.db2.gz SKIMHWTWVWNSQQ-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000341280669 1021284139 /nfs/dbraw/zinc/28/41/39/1021284139.db2.gz QYZRZBZRTDLOTE-IBGZPJMESA-N 1 2 331.419 3.849 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000440503930 1021312573 /nfs/dbraw/zinc/31/25/73/1021312573.db2.gz JZUFLVGHAZFUKG-OEIFXAAASA-N 1 2 338.455 3.551 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(O)cc2Cl)no1)c1ccccc1 ZINC000436874003 1021315679 /nfs/dbraw/zinc/31/56/79/1021315679.db2.gz RSEUKMDZIFITGZ-HNNXBMFYSA-N 1 2 329.787 3.747 20 0 EHADLO Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)cn1 ZINC000348677301 1021322023 /nfs/dbraw/zinc/32/20/23/1021322023.db2.gz UOZOQWLNQPMLLE-UHFFFAOYSA-N 1 2 329.875 3.670 20 0 EHADLO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3C)CC2)cn1 ZINC000348677301 1021322042 /nfs/dbraw/zinc/32/20/42/1021322042.db2.gz UOZOQWLNQPMLLE-UHFFFAOYSA-N 1 2 329.875 3.670 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(-c2ccc(O)c(F)c2)no1)c1ccccc1 ZINC000436878554 1021326949 /nfs/dbraw/zinc/32/69/49/1021326949.db2.gz JSXCIWYPSXOTFO-INIZCTEOSA-N 1 2 327.359 3.622 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(-c2ccc(O)c(F)c2)no1)c1ccccc1 ZINC000436878554 1021326964 /nfs/dbraw/zinc/32/69/64/1021326964.db2.gz JSXCIWYPSXOTFO-INIZCTEOSA-N 1 2 327.359 3.622 20 0 EHADLO COc1ccsc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000505902633 1021378837 /nfs/dbraw/zinc/37/88/37/1021378837.db2.gz HYDYYPPSURXFOY-VMPITWQZSA-N 1 2 328.481 3.588 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000341310093 1021399982 /nfs/dbraw/zinc/39/99/82/1021399982.db2.gz BJSAVTYIRDWYAZ-KRWDZBQOSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1C ZINC000341319360 1021420050 /nfs/dbraw/zinc/42/00/50/1021420050.db2.gz VJCLOBMLQQJALL-CZUORRHYSA-N 1 2 331.847 3.877 20 0 EHADLO Cc1c[nH+]c(CNc2cnn(-c3ccc(Cl)cc3Cl)c2)n1C ZINC000341335777 1021463185 /nfs/dbraw/zinc/46/31/85/1021463185.db2.gz QGYVTDCLSZUPPJ-UHFFFAOYSA-N 1 2 336.226 3.833 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000516473851 1021465232 /nfs/dbraw/zinc/46/52/32/1021465232.db2.gz YISPJPFXSGPLSQ-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO CC(C)[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656711 1032985540 /nfs/dbraw/zinc/98/55/40/1032985540.db2.gz MAEXFPWZIFKRAD-HZPDHXFCSA-N 1 2 330.463 3.590 20 0 EHADLO O=S(=O)(CCCCF)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000288606211 1021533113 /nfs/dbraw/zinc/53/31/13/1021533113.db2.gz OQGVUBVJNYFMJI-UHFFFAOYSA-N 1 2 328.453 3.558 20 0 EHADLO Cc1nc2ccc(C[NH+]3CCN([C@@H](C)C(F)(F)F)CC3)cc2s1 ZINC000426418411 1021533849 /nfs/dbraw/zinc/53/38/49/1021533849.db2.gz GWVRVXFPIJMGDO-NSHDSACASA-N 1 2 343.418 3.673 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000516567553 1021553540 /nfs/dbraw/zinc/55/35/40/1021553540.db2.gz MJQQRELAIVPTFJ-WCQYABFASA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000516567553 1021553541 /nfs/dbraw/zinc/55/35/41/1021553541.db2.gz MJQQRELAIVPTFJ-WCQYABFASA-N 1 2 345.270 3.820 20 0 EHADLO Cc1ccsc1[C@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437085339 1021555765 /nfs/dbraw/zinc/55/57/65/1021555765.db2.gz ZTRAQPXWNWTRNH-ZDUSSCGKSA-N 1 2 330.432 3.686 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(C)cc1-c1ccnn1C ZINC000516587327 1021574802 /nfs/dbraw/zinc/57/48/02/1021574802.db2.gz NWSOOMNMGWBQMM-UHFFFAOYSA-N 1 2 345.450 3.799 20 0 EHADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000440543255 1021586055 /nfs/dbraw/zinc/58/60/55/1021586055.db2.gz LTXGZRCJGOUZIY-QGZVFWFLSA-N 1 2 349.434 3.529 20 0 EHADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000440543255 1021586066 /nfs/dbraw/zinc/58/60/66/1021586066.db2.gz LTXGZRCJGOUZIY-QGZVFWFLSA-N 1 2 349.434 3.529 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccccc1)CC(F)F ZINC000437163268 1021619241 /nfs/dbraw/zinc/61/92/41/1021619241.db2.gz CGILQOKOEJOXMU-UHFFFAOYSA-N 1 2 341.361 3.780 20 0 EHADLO CC[C@@H](F)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000440566277 1021620835 /nfs/dbraw/zinc/62/08/35/1021620835.db2.gz QWKURNHIXXQCLH-MRXNPFEDSA-N 1 2 348.491 3.762 20 0 EHADLO CCC(CC)[C@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1cccs1 ZINC000440596792 1021634397 /nfs/dbraw/zinc/63/43/97/1021634397.db2.gz RJQGPNMGAUDZJY-ZDUSSCGKSA-N 1 2 347.410 3.564 20 0 EHADLO CSCc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000130107318 1021674511 /nfs/dbraw/zinc/67/45/11/1021674511.db2.gz CWEQMVSMJGFHQE-WMLDXEAASA-N 1 2 344.484 3.861 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc(C)c1OC(F)F ZINC000289234874 1021693991 /nfs/dbraw/zinc/69/39/91/1021693991.db2.gz DIRWNXWPAKYVGA-CYBMUJFWSA-N 1 2 335.341 3.761 20 0 EHADLO Cc1cc(C[N@H+]2CCOC[C@H]2CC(F)F)cc(C)c1OC(F)F ZINC000289234874 1021693997 /nfs/dbraw/zinc/69/39/97/1021693997.db2.gz DIRWNXWPAKYVGA-CYBMUJFWSA-N 1 2 335.341 3.761 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)C[C@H](C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891468754 1021701526 /nfs/dbraw/zinc/70/15/26/1021701526.db2.gz XFUCLDWXFFFWFR-AWEZNQCLSA-N 1 2 349.434 3.681 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)C[C@H](C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891468754 1021701539 /nfs/dbraw/zinc/70/15/39/1021701539.db2.gz XFUCLDWXFFFWFR-AWEZNQCLSA-N 1 2 349.434 3.681 20 0 EHADLO Cc1c2ccccc2[nH+]c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1C(=O)[O-] ZINC000519822011 1021716729 /nfs/dbraw/zinc/71/67/29/1021716729.db2.gz LNRDFULTOZZDKA-HNNXBMFYSA-N 1 2 341.455 3.552 20 0 EHADLO Cc1c2ccccc2[nH+]c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1C(=O)[O-] ZINC000519822011 1021716740 /nfs/dbraw/zinc/71/67/40/1021716740.db2.gz LNRDFULTOZZDKA-HNNXBMFYSA-N 1 2 341.455 3.552 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000440773239 1021761876 /nfs/dbraw/zinc/76/18/76/1021761876.db2.gz FBJXWHOLPXBGOC-MRXNPFEDSA-N 1 2 334.508 3.668 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)co2)cc1 ZINC000440823286 1021793012 /nfs/dbraw/zinc/79/30/12/1021793012.db2.gz MAHIHIWNYLZVCI-UHFFFAOYSA-N 1 2 336.317 3.682 20 0 EHADLO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)c1 ZINC000366668016 1021827936 /nfs/dbraw/zinc/82/79/36/1021827936.db2.gz GIRXNHZUIVIMIG-IBGZPJMESA-N 1 2 334.423 3.817 20 0 EHADLO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)c1 ZINC000366668016 1021827949 /nfs/dbraw/zinc/82/79/49/1021827949.db2.gz GIRXNHZUIVIMIG-IBGZPJMESA-N 1 2 334.423 3.817 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC000476166939 1033009546 /nfs/dbraw/zinc/00/95/46/1033009546.db2.gz WKSUANXFYHNENJ-ZJIFWQFVSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@@H]3CCC[C@@H]3C1)CC2 ZINC000476166939 1033009561 /nfs/dbraw/zinc/00/95/61/1033009561.db2.gz WKSUANXFYHNENJ-ZJIFWQFVSA-N 1 2 329.488 3.723 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000341423993 1021837778 /nfs/dbraw/zinc/83/77/78/1021837778.db2.gz NEYMNRPVFDAJLC-ZDUSSCGKSA-N 1 2 340.452 3.617 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3ccncc3Cl)CC2)c1 ZINC000519176815 1021903830 /nfs/dbraw/zinc/90/38/30/1021903830.db2.gz KPLDIJVVOUQYSZ-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1C ZINC000517038390 1021967267 /nfs/dbraw/zinc/96/72/67/1021967267.db2.gz AFBJJVATDZLWPM-SFHVURJKSA-N 1 2 349.478 3.665 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1C ZINC000517038390 1021967276 /nfs/dbraw/zinc/96/72/76/1021967276.db2.gz AFBJJVATDZLWPM-SFHVURJKSA-N 1 2 349.478 3.665 20 0 EHADLO COCC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(C)o1 ZINC000276625741 1022021085 /nfs/dbraw/zinc/02/10/85/1022021085.db2.gz MWCLZGNNGQIIBJ-KRWDZBQOSA-N 1 2 325.412 3.641 20 0 EHADLO COCCN(CCCc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341492543 1022028246 /nfs/dbraw/zinc/02/82/46/1022028246.db2.gz DRBKXKKKAVEMFT-UHFFFAOYSA-N 1 2 325.456 3.748 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440281249 1022064458 /nfs/dbraw/zinc/06/44/58/1022064458.db2.gz KCSMFKRVBBMQJU-OAHLLOKOSA-N 1 2 341.455 3.708 20 0 EHADLO C[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@H]1CCCCO1 ZINC000440329818 1022097159 /nfs/dbraw/zinc/09/71/59/1022097159.db2.gz VATVKJJTVAMRJC-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO C[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@H]1CCCCO1 ZINC000440329818 1022097172 /nfs/dbraw/zinc/09/71/72/1022097172.db2.gz VATVKJJTVAMRJC-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO COc1ccc2c(c1OC)CC[N@@H+](Cc1cc3c(cccc3F)[nH]1)C2 ZINC000437783437 1022130116 /nfs/dbraw/zinc/13/01/16/1022130116.db2.gz IDGKUZLJMQTGSE-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO COc1ccc2c(c1OC)CC[N@H+](Cc1cc3c(cccc3F)[nH]1)C2 ZINC000437783437 1022130123 /nfs/dbraw/zinc/13/01/23/1022130123.db2.gz IDGKUZLJMQTGSE-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000126283174 1022192551 /nfs/dbraw/zinc/19/25/51/1022192551.db2.gz RIAUVUSJTJJUFT-NVXWUHKLSA-N 1 2 341.455 3.745 20 0 EHADLO C[C@@H](CCNc1[nH+]cnc2c1cnn2C)c1cccc(C(F)(F)F)c1 ZINC000506145910 1022195352 /nfs/dbraw/zinc/19/53/52/1022195352.db2.gz WXDOKVAJSXKOMP-NSHDSACASA-N 1 2 349.360 3.988 20 0 EHADLO CCC[C@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OCC ZINC000441386502 1022204274 /nfs/dbraw/zinc/20/42/74/1022204274.db2.gz ORWHMUOHZGPTQN-OALUTQOASA-N 1 2 343.471 3.563 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(C)cn2)c(-c2ccccc2)s1 ZINC000441390965 1022208325 /nfs/dbraw/zinc/20/83/25/1022208325.db2.gz ZJQUOLFEMVPJNS-UHFFFAOYSA-N 1 2 339.464 3.950 20 0 EHADLO Cc1ccc(-c2nc(CN3CCN(c4cc(C)cc[nH+]4)CC3)co2)cc1 ZINC000510487916 1022215490 /nfs/dbraw/zinc/21/54/90/1022215490.db2.gz CYHAZJRGSAHGHX-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC2CCC1CC2 ZINC000520414286 1022217994 /nfs/dbraw/zinc/21/79/94/1022217994.db2.gz OLEOUYWASDPUMH-MMIPBJDJSA-N 1 2 344.503 3.576 20 0 EHADLO Cc1cn2cc(NC(=O)C3(CCOCc4ccccc4)CC3)ccc2[nH+]1 ZINC000471790958 1022218547 /nfs/dbraw/zinc/21/85/47/1022218547.db2.gz HDWDHEOMMCUIKI-UHFFFAOYSA-N 1 2 349.434 3.968 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)n1 ZINC000437867884 1022219486 /nfs/dbraw/zinc/21/94/86/1022219486.db2.gz BTWYRLCHVYPNJF-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)n1 ZINC000437867884 1022219498 /nfs/dbraw/zinc/21/94/98/1022219498.db2.gz BTWYRLCHVYPNJF-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)co1 ZINC000647971188 1022224966 /nfs/dbraw/zinc/22/49/66/1022224966.db2.gz XRGMBFQKKSUWIO-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)co1 ZINC000647971188 1022224975 /nfs/dbraw/zinc/22/49/75/1022224975.db2.gz XRGMBFQKKSUWIO-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1ccc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)cn1 ZINC000345976385 1022237199 /nfs/dbraw/zinc/23/71/99/1022237199.db2.gz GZYZLGFQXDRTJO-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000506158827 1022241314 /nfs/dbraw/zinc/24/13/14/1022241314.db2.gz CFDBZGPLXQAYHU-KRWDZBQOSA-N 1 2 342.487 3.620 20 0 EHADLO CCc1ncc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cn1 ZINC000517341250 1022255422 /nfs/dbraw/zinc/25/54/22/1022255422.db2.gz ZZLUVWNPMSRGQB-QGZVFWFLSA-N 1 2 325.460 3.518 20 0 EHADLO CCOC(=O)C1CCC(CC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000517375768 1022294120 /nfs/dbraw/zinc/29/41/20/1022294120.db2.gz WFDLKZBBVHWRKX-UHFFFAOYSA-N 1 2 332.444 3.705 20 0 EHADLO CC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000346005889 1022322724 /nfs/dbraw/zinc/32/27/24/1022322724.db2.gz MIWCLXSIISNUPQ-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO CC1(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000346005889 1022322739 /nfs/dbraw/zinc/32/27/39/1022322739.db2.gz MIWCLXSIISNUPQ-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548333260 1022327196 /nfs/dbraw/zinc/32/71/96/1022327196.db2.gz ABCNGXCPUGHRNT-LJQANCHMSA-N 1 2 348.450 3.583 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000894470601 1022348870 /nfs/dbraw/zinc/34/88/70/1022348870.db2.gz NRFOFZPBJKIHTM-QTLSWZBMSA-N 1 2 331.460 3.674 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1OC(F)F ZINC000449696367 1033055940 /nfs/dbraw/zinc/05/59/40/1033055940.db2.gz IBFRFTDLMORTCV-UHFFFAOYSA-N 1 2 338.354 3.842 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822712 1022405008 /nfs/dbraw/zinc/40/50/08/1022405008.db2.gz JLFINECFQDYOOY-IRXDYDNUSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822712 1022405015 /nfs/dbraw/zinc/40/50/15/1022405015.db2.gz JLFINECFQDYOOY-IRXDYDNUSA-N 1 2 329.488 3.502 20 0 EHADLO Cc1ccc2cc(C[N@H+](C)Cc3nc(-c4cccnc4)no3)ccc2n1 ZINC000438124392 1022406502 /nfs/dbraw/zinc/40/65/02/1022406502.db2.gz SPEWBWICCAEZJW-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO Cc1ccc2cc(C[N@@H+](C)Cc3nc(-c4cccnc4)no3)ccc2n1 ZINC000438124392 1022406510 /nfs/dbraw/zinc/40/65/10/1022406510.db2.gz SPEWBWICCAEZJW-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)CCCC2CCCCC2)CCO1 ZINC000548342042 1022408335 /nfs/dbraw/zinc/40/83/35/1022408335.db2.gz RCXFNGSWIJKPAZ-FUHWJXTLSA-N 1 2 333.476 3.507 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438149618 1022432321 /nfs/dbraw/zinc/43/23/21/1022432321.db2.gz CLCJOWXJTUBNEC-AVYPCKFXSA-N 1 2 347.418 3.555 20 0 EHADLO Cc1c(NCc2ccc(-n3cc[nH+]c3)cc2)cccc1N1CCOC1=O ZINC000152294469 1022435156 /nfs/dbraw/zinc/43/51/56/1022435156.db2.gz ZOUYICIMQOZCCP-UHFFFAOYSA-N 1 2 348.406 3.749 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1cccnc1)Cc1ccccc1Cl ZINC000111216052 1022435242 /nfs/dbraw/zinc/43/52/42/1022435242.db2.gz YWVAAABUWZEBNP-UHFFFAOYSA-N 1 2 345.874 3.654 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1cccnc1)Cc1ccccc1Cl ZINC000111216052 1022435252 /nfs/dbraw/zinc/43/52/52/1022435252.db2.gz YWVAAABUWZEBNP-UHFFFAOYSA-N 1 2 345.874 3.654 20 0 EHADLO Cc1ccc(CN(C(=O)NCCCCn2cc[nH+]c2)C2CC2)cc1C ZINC000607235307 1033056654 /nfs/dbraw/zinc/05/66/54/1033056654.db2.gz UVWRWXGQEXPIGT-UHFFFAOYSA-N 1 2 340.471 3.654 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000303660999 1022488285 /nfs/dbraw/zinc/48/82/85/1022488285.db2.gz MWEVCFJSZLXPKU-LJQANCHMSA-N 1 2 340.492 3.748 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000303660999 1022488294 /nfs/dbraw/zinc/48/82/94/1022488294.db2.gz MWEVCFJSZLXPKU-LJQANCHMSA-N 1 2 340.492 3.748 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000891739084 1022494945 /nfs/dbraw/zinc/49/49/45/1022494945.db2.gz PVLPGFQLWXJFNL-KRWDZBQOSA-N 1 2 325.412 3.902 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000891739084 1022494948 /nfs/dbraw/zinc/49/49/48/1022494948.db2.gz PVLPGFQLWXJFNL-KRWDZBQOSA-N 1 2 325.412 3.902 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828462 1022507204 /nfs/dbraw/zinc/50/72/04/1022507204.db2.gz HWIAVVQZZIOYFW-YJBOKZPZSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828462 1022507210 /nfs/dbraw/zinc/50/72/10/1022507210.db2.gz HWIAVVQZZIOYFW-YJBOKZPZSA-N 1 2 329.488 3.644 20 0 EHADLO CCOCC[NH+]1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000058575522 1022517910 /nfs/dbraw/zinc/51/79/10/1022517910.db2.gz JTQNUEQPFNBZAU-UHFFFAOYSA-N 1 2 348.487 3.708 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000438284004 1022534856 /nfs/dbraw/zinc/53/48/56/1022534856.db2.gz PAGDMSJTUCLMAV-MRXNPFEDSA-N 1 2 329.835 3.595 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000438284004 1022534864 /nfs/dbraw/zinc/53/48/64/1022534864.db2.gz PAGDMSJTUCLMAV-MRXNPFEDSA-N 1 2 329.835 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2c2cccs2)c1C ZINC000051333943 1022547112 /nfs/dbraw/zinc/54/71/12/1022547112.db2.gz UJEZVNMOOQJUNF-HNNXBMFYSA-N 1 2 345.468 3.815 20 0 EHADLO CC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665001093 1022619463 /nfs/dbraw/zinc/61/94/63/1022619463.db2.gz RKQRQUYWFQWBSX-SVGFKBNWSA-N 1 2 327.428 3.545 20 0 EHADLO CC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665001093 1022619471 /nfs/dbraw/zinc/61/94/71/1022619471.db2.gz RKQRQUYWFQWBSX-SVGFKBNWSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@H]1CC[C@@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004335 1022649270 /nfs/dbraw/zinc/64/92/70/1022649270.db2.gz UXORDLBVCPIVEF-ONIAQPFYSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H]1CC[C@@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004335 1022649280 /nfs/dbraw/zinc/64/92/80/1022649280.db2.gz UXORDLBVCPIVEF-ONIAQPFYSA-N 1 2 341.455 3.935 20 0 EHADLO COC(=O)c1cc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)ccn1 ZINC000894646737 1022660649 /nfs/dbraw/zinc/66/06/49/1022660649.db2.gz JPYPHKVJBXAJGM-UHFFFAOYSA-N 1 2 328.416 3.517 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837153 1022708287 /nfs/dbraw/zinc/70/82/87/1022708287.db2.gz NAPZHRZFYLROIJ-CRAIPNDOSA-N 1 2 329.488 3.550 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837153 1022708306 /nfs/dbraw/zinc/70/83/06/1022708306.db2.gz NAPZHRZFYLROIJ-CRAIPNDOSA-N 1 2 329.488 3.550 20 0 EHADLO CCC[C@H](OC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012259 1022714655 /nfs/dbraw/zinc/71/46/55/1022714655.db2.gz NVPQSSJPQUXJBG-PVAVHDDUSA-N 1 2 345.443 3.519 20 0 EHADLO CCC[C@H](OC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012259 1022714662 /nfs/dbraw/zinc/71/46/62/1022714662.db2.gz NVPQSSJPQUXJBG-PVAVHDDUSA-N 1 2 345.443 3.519 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838172 1022720423 /nfs/dbraw/zinc/72/04/23/1022720423.db2.gz RBLNTQXJQJXWPV-JQHSSLGASA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838172 1022720431 /nfs/dbraw/zinc/72/04/31/1022720431.db2.gz RBLNTQXJQJXWPV-JQHSSLGASA-N 1 2 329.488 3.644 20 0 EHADLO CN(C)c1nc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)ns1 ZINC000438515501 1022738278 /nfs/dbraw/zinc/73/82/78/1022738278.db2.gz HLRSWETTWKQKKK-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO CN(C)c1nc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)ns1 ZINC000438515501 1022738292 /nfs/dbraw/zinc/73/82/92/1022738292.db2.gz HLRSWETTWKQKKK-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(F)c1 ZINC001143574588 1022741421 /nfs/dbraw/zinc/74/14/21/1022741421.db2.gz GAQTZFMFBRYWRV-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c(F)c1 ZINC001143574588 1022741423 /nfs/dbraw/zinc/74/14/23/1022741423.db2.gz GAQTZFMFBRYWRV-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000088491155 1022776369 /nfs/dbraw/zinc/77/63/69/1022776369.db2.gz ODLOTRHXWCOPIX-UHFFFAOYSA-N 1 2 329.421 3.530 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000088491155 1022776384 /nfs/dbraw/zinc/77/63/84/1022776384.db2.gz ODLOTRHXWCOPIX-UHFFFAOYSA-N 1 2 329.421 3.530 20 0 EHADLO Cc1noc(-c2ccc(NCc3cc(C)[nH+]c4c3CCCC4)cn2)n1 ZINC000894737138 1022817627 /nfs/dbraw/zinc/81/76/27/1022817627.db2.gz ZMEVWTGHPGUYCQ-UHFFFAOYSA-N 1 2 335.411 3.634 20 0 EHADLO C[N@H+](Cc1csc(Br)c1)Cc1cccc2c1OCO2 ZINC000510685138 1022886299 /nfs/dbraw/zinc/88/62/99/1022886299.db2.gz UDLXCSWKHVZLPC-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO C[N@@H+](Cc1csc(Br)c1)Cc1cccc2c1OCO2 ZINC000510685138 1022886308 /nfs/dbraw/zinc/88/63/08/1022886308.db2.gz UDLXCSWKHVZLPC-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO CCn1cc(C[NH2+][C@H](c2ccco2)c2ccc(OC)cc2)c(C)n1 ZINC000894787704 1022913645 /nfs/dbraw/zinc/91/36/45/1022913645.db2.gz JZQBMAGNDDBTRM-IBGZPJMESA-N 1 2 325.412 3.692 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3nc(C)ccc3O)n2)cc1 ZINC000276786326 1022917020 /nfs/dbraw/zinc/91/70/20/1022917020.db2.gz RREQBCKOGOFYLD-CYBMUJFWSA-N 1 2 338.411 3.559 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426775271 1023036212 /nfs/dbraw/zinc/03/62/12/1023036212.db2.gz RZEFGVHQFMXVEJ-GFCCVEGCSA-N 1 2 348.853 3.963 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000933818270 1023041574 /nfs/dbraw/zinc/04/15/74/1023041574.db2.gz GNWZNSDNOOUCAC-CYBMUJFWSA-N 1 2 338.411 3.548 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000933818270 1023041586 /nfs/dbraw/zinc/04/15/86/1023041586.db2.gz GNWZNSDNOOUCAC-CYBMUJFWSA-N 1 2 338.411 3.548 20 0 EHADLO O=C(NC(c1cccs1)c1cccs1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548420111 1023054267 /nfs/dbraw/zinc/05/42/67/1023054267.db2.gz NXCCDNXKJVKHHR-LLVKDONJSA-N 1 2 343.477 3.858 20 0 EHADLO CCC(C)(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000509569294 1023058369 /nfs/dbraw/zinc/05/83/69/1023058369.db2.gz CDYONDLNDMEOFN-UHFFFAOYSA-N 1 2 337.467 3.732 20 0 EHADLO Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1Cl ZINC000276818250 1023058532 /nfs/dbraw/zinc/05/85/32/1023058532.db2.gz AJFPJTZWFDFMNN-UHFFFAOYSA-N 1 2 343.858 3.503 20 0 EHADLO Cc1ncc(C[NH2+]Cc2c(Br)c3ccccc3n2C)o1 ZINC001348904092 1023060128 /nfs/dbraw/zinc/06/01/28/1023060128.db2.gz ZDWFAIKDTWXWMZ-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)NCCCNc2cccc[nH+]2)s1 ZINC000189688443 1023080322 /nfs/dbraw/zinc/08/03/22/1023080322.db2.gz WLTDJMBEGBYNEQ-UHFFFAOYSA-N 1 2 340.452 3.679 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129646790 1023111716 /nfs/dbraw/zinc/11/17/16/1023111716.db2.gz NLENGCUAXFTPAS-HDMKZQKVSA-N 1 2 342.443 3.706 20 0 EHADLO CCc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1-c1ccccc1C ZINC000518192512 1023112604 /nfs/dbraw/zinc/11/26/04/1023112604.db2.gz MYWIEXXLGJXZPN-OAHLLOKOSA-N 1 2 337.427 3.529 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000518194808 1023116316 /nfs/dbraw/zinc/11/63/16/1023116316.db2.gz SQJIZPRHQKKGOR-CXAGYDPISA-N 1 2 331.847 3.612 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000518215569 1023137446 /nfs/dbraw/zinc/13/74/46/1023137446.db2.gz VLFRNLJSBWXZRX-MURWCNHISA-N 1 2 338.238 3.567 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000518215569 1023137451 /nfs/dbraw/zinc/13/74/51/1023137451.db2.gz VLFRNLJSBWXZRX-MURWCNHISA-N 1 2 338.238 3.567 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000427001978 1023161277 /nfs/dbraw/zinc/16/12/77/1023161277.db2.gz MICHZRYNJLEDMB-HOTGVXAUSA-N 1 2 348.437 3.792 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000427001978 1023161280 /nfs/dbraw/zinc/16/12/80/1023161280.db2.gz MICHZRYNJLEDMB-HOTGVXAUSA-N 1 2 348.437 3.792 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000507193024 1023183926 /nfs/dbraw/zinc/18/39/26/1023183926.db2.gz MQRYPMILTABCQW-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000507193024 1023183933 /nfs/dbraw/zinc/18/39/33/1023183933.db2.gz MQRYPMILTABCQW-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(F)c1 ZINC001143578807 1023207245 /nfs/dbraw/zinc/20/72/45/1023207245.db2.gz AIVPBGOMWGURDA-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(F)c1 ZINC001143578807 1023207257 /nfs/dbraw/zinc/20/72/57/1023207257.db2.gz AIVPBGOMWGURDA-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C)o1 ZINC000438998396 1023210307 /nfs/dbraw/zinc/21/03/07/1023210307.db2.gz IUUFADDXUVYXSM-CXAGYDPISA-N 1 2 346.427 3.593 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1c[nH]c2ccccc12 ZINC000190501406 1023215125 /nfs/dbraw/zinc/21/51/25/1023215125.db2.gz LBCYBXFRRNPDFH-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1c[nH]c2ccccc12 ZINC000190501406 1023215135 /nfs/dbraw/zinc/21/51/35/1023215135.db2.gz LBCYBXFRRNPDFH-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001143585629 1023234578 /nfs/dbraw/zinc/23/45/78/1023234578.db2.gz MWDPSWAMBFALNT-CALCHBBNSA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001143585629 1023234585 /nfs/dbraw/zinc/23/45/85/1023234585.db2.gz MWDPSWAMBFALNT-CALCHBBNSA-N 1 2 334.435 3.718 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CC(C)(C)O1 ZINC000119516668 1033118102 /nfs/dbraw/zinc/11/81/02/1033118102.db2.gz LOKXEFNUINSMOO-ZDUSSCGKSA-N 1 2 333.863 3.740 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CC(C)(C)O1 ZINC000119516668 1033118116 /nfs/dbraw/zinc/11/81/16/1033118116.db2.gz LOKXEFNUINSMOO-ZDUSSCGKSA-N 1 2 333.863 3.740 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CCn4cccc4[C@@H]3c3ccccc3)cc12 ZINC000507353977 1023263031 /nfs/dbraw/zinc/26/30/31/1023263031.db2.gz CERXKYSVZQXMAT-FQEVSTJZSA-N 1 2 343.434 3.673 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CCn4cccc4[C@@H]3c3ccccc3)cc12 ZINC000507353977 1023263037 /nfs/dbraw/zinc/26/30/37/1023263037.db2.gz CERXKYSVZQXMAT-FQEVSTJZSA-N 1 2 343.434 3.673 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)o2)cc1 ZINC000190548135 1023297863 /nfs/dbraw/zinc/29/78/63/1023297863.db2.gz GFICVTSIKCYMGH-CQSZACIVSA-N 1 2 329.444 3.995 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(C(F)(F)F)ccc1F)CC2 ZINC000426398726 1023313918 /nfs/dbraw/zinc/31/39/18/1023313918.db2.gz YEVCRANROPPGDE-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)CC2 ZINC000426398726 1023313921 /nfs/dbraw/zinc/31/39/21/1023313921.db2.gz YEVCRANROPPGDE-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cn1 ZINC000092196187 1023336422 /nfs/dbraw/zinc/33/64/22/1023336422.db2.gz VWIHLJLJGFINEZ-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1cc(N2CCC[C@H](OCC(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000891902135 1023366645 /nfs/dbraw/zinc/36/66/45/1023366645.db2.gz OABBANPKIUAVOQ-ZDUSSCGKSA-N 1 2 329.366 3.600 20 0 EHADLO CC(C)C1CCC(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000431171362 1023377360 /nfs/dbraw/zinc/37/73/60/1023377360.db2.gz RWICWROBYPAVRC-UHFFFAOYSA-N 1 2 346.519 3.524 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1csc(-c3cccs3)n1)CC2 ZINC000276934570 1023413204 /nfs/dbraw/zinc/41/32/04/1023413204.db2.gz MXDQHJLPUMGHLW-UHFFFAOYSA-N 1 2 329.450 3.531 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1csc(-c3cccs3)n1)CC2 ZINC000276934570 1023413207 /nfs/dbraw/zinc/41/32/07/1023413207.db2.gz MXDQHJLPUMGHLW-UHFFFAOYSA-N 1 2 329.450 3.531 20 0 EHADLO Cc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)sc1Br ZINC000092810830 1023427519 /nfs/dbraw/zinc/42/75/19/1023427519.db2.gz NSOFVWUAUBAJDI-UHFFFAOYSA-N 1 2 340.290 3.922 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1c(F)cccc1F ZINC000276971306 1023505358 /nfs/dbraw/zinc/50/53/58/1023505358.db2.gz PLGVJXCTYKFYSE-GOSISDBHSA-N 1 2 333.378 3.577 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC000535675130 1023556862 /nfs/dbraw/zinc/55/68/62/1023556862.db2.gz JODPGGCAESPOSL-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC000535675130 1023556866 /nfs/dbraw/zinc/55/68/66/1023556866.db2.gz JODPGGCAESPOSL-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Nc1nc(N2CCC(OCC3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000535721215 1023591953 /nfs/dbraw/zinc/59/19/53/1023591953.db2.gz CXGIIOFPGSMPMK-UHFFFAOYSA-N 1 2 340.471 3.608 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001143417529 1023648848 /nfs/dbraw/zinc/64/88/48/1023648848.db2.gz GJLHYKANNLIOOU-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001143417529 1023648852 /nfs/dbraw/zinc/64/88/52/1023648852.db2.gz GJLHYKANNLIOOU-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO OC[C@@H]1CC[N@@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000934013723 1023668746 /nfs/dbraw/zinc/66/87/46/1023668746.db2.gz GSMIMYLTQPODOD-VIFPVBQESA-N 1 2 329.252 3.684 20 0 EHADLO OC[C@@H]1CC[N@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000934013723 1023668748 /nfs/dbraw/zinc/66/87/48/1023668748.db2.gz GSMIMYLTQPODOD-VIFPVBQESA-N 1 2 329.252 3.684 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H]1CO ZINC000934016613 1023682141 /nfs/dbraw/zinc/68/21/41/1023682141.db2.gz IRRNGVGBSSJQEV-MWLCHTKSSA-N 1 2 327.211 3.776 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H]1CO ZINC000934016613 1023682145 /nfs/dbraw/zinc/68/21/45/1023682145.db2.gz IRRNGVGBSSJQEV-MWLCHTKSSA-N 1 2 327.211 3.776 20 0 EHADLO CC(C)c1ccc2occ(C(=O)NC[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000341931634 1023705000 /nfs/dbraw/zinc/70/50/00/1023705000.db2.gz GXJBZAZMVSKJRS-AWEZNQCLSA-N 1 2 325.412 3.819 20 0 EHADLO Cc1cc(N2CCN(C(=O)CC3(C)CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000342021721 1023762961 /nfs/dbraw/zinc/76/29/61/1023762961.db2.gz MBFUXTPXUQCAAX-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nccc(C)n1)c1ccc(Cl)c(Cl)c1 ZINC000342026244 1023765891 /nfs/dbraw/zinc/76/58/91/1023765891.db2.gz VDCXDNBMFKCLOS-OAHLLOKOSA-N 1 2 340.254 3.959 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)s1 ZINC000602786801 1033162292 /nfs/dbraw/zinc/16/22/92/1033162292.db2.gz YKWFONVOBFGQDV-TZMCWYRMSA-N 1 2 334.441 3.886 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)s1 ZINC000602786801 1033162305 /nfs/dbraw/zinc/16/23/05/1033162305.db2.gz YKWFONVOBFGQDV-TZMCWYRMSA-N 1 2 334.441 3.886 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000342050468 1023803333 /nfs/dbraw/zinc/80/33/33/1023803333.db2.gz VQDNJRGRRHOJTA-CQSZACIVSA-N 1 2 336.391 3.979 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000342064414 1023813982 /nfs/dbraw/zinc/81/39/82/1023813982.db2.gz QBGRAVZGGJDMBJ-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO Cc1noc2ncnc(Nc3c[nH+]c(N4CCCC[C@H]4C)c(C)c3)c12 ZINC000669656357 1033172202 /nfs/dbraw/zinc/17/22/02/1033172202.db2.gz NJBHPBXXTAKVEK-GFCCVEGCSA-N 1 2 338.415 3.752 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000150726602 1023929237 /nfs/dbraw/zinc/92/92/37/1023929237.db2.gz UPIQBIUSVGZYBX-QGZVFWFLSA-N 1 2 333.435 3.660 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)c4nc(C)no4)CC3)c2c1 ZINC000053074096 1023955434 /nfs/dbraw/zinc/95/54/34/1023955434.db2.gz KYNWTZDUEDRKEL-LBPRGKRZSA-N 1 2 338.411 3.718 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)c4nc(C)no4)CC3)c2c1 ZINC000053074096 1023955452 /nfs/dbraw/zinc/95/54/52/1023955452.db2.gz KYNWTZDUEDRKEL-LBPRGKRZSA-N 1 2 338.411 3.718 20 0 EHADLO CCc1ccc([C@H](C[NH2+]Cc2c(F)ccc(O)c2F)N(C)C)cc1 ZINC000509616458 1023969697 /nfs/dbraw/zinc/96/96/97/1023969697.db2.gz IKMYVTSTQLUKDY-KRWDZBQOSA-N 1 2 334.410 3.625 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+][C@H](C)c2c(F)cccc2Cl)s1 ZINC000602807308 1033180178 /nfs/dbraw/zinc/18/01/78/1033180178.db2.gz XMBIWICWIGWIPM-SECBINFHSA-N 1 2 342.823 3.963 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1C ZINC000513993163 1024022002 /nfs/dbraw/zinc/02/20/02/1024022002.db2.gz YJNZWPZIYBJWHC-SFHVURJKSA-N 1 2 328.843 3.744 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1C ZINC000514001035 1024043661 /nfs/dbraw/zinc/04/36/61/1024043661.db2.gz FGZIFWNULYXCJC-GOSISDBHSA-N 1 2 328.843 3.744 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)Nc1ccon1 ZINC000657199343 1024058470 /nfs/dbraw/zinc/05/84/70/1024058470.db2.gz DYAQYSICHKZKBH-SFHVURJKSA-N 1 2 325.412 3.621 20 0 EHADLO O=C(C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)Nc1ccon1 ZINC000657199343 1024058485 /nfs/dbraw/zinc/05/84/85/1024058485.db2.gz DYAQYSICHKZKBH-SFHVURJKSA-N 1 2 325.412 3.621 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000522230083 1024059463 /nfs/dbraw/zinc/05/94/63/1024059463.db2.gz FZMJZTVEKPBDMP-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO COC[C@@H](C)N(C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443512057 1024062461 /nfs/dbraw/zinc/06/24/61/1024062461.db2.gz RMGASLFPHVIOKR-SECBINFHSA-N 1 2 327.197 3.608 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000514043442 1024068246 /nfs/dbraw/zinc/06/82/46/1024068246.db2.gz UYTYSROFCKCTHN-UHFFFAOYSA-N 1 2 341.499 3.953 20 0 EHADLO Cc1nn2c(C[NH+]3CC(C)(C)OC(C)(C)C3)c(C(C)C)nc2s1 ZINC000443858453 1024074433 /nfs/dbraw/zinc/07/44/33/1024074433.db2.gz WLPPVQCEKXZHEG-UHFFFAOYSA-N 1 2 336.505 3.612 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccco3)c3ccccc3)[nH+]c12 ZINC000522236774 1024076098 /nfs/dbraw/zinc/07/60/98/1024076098.db2.gz UQDJEXXKFZQZPU-FQEVSTJZSA-N 1 2 345.402 3.684 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000434490096 1024078715 /nfs/dbraw/zinc/07/87/15/1024078715.db2.gz BMAHSUSXRAYHBV-DLBZAZTESA-N 1 2 330.476 3.542 20 0 EHADLO CC(C)N(Cc1cccc(F)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000514056283 1024080878 /nfs/dbraw/zinc/08/08/78/1024080878.db2.gz AOXYZIJTXTXHGY-UHFFFAOYSA-N 1 2 344.434 3.643 20 0 EHADLO CCC[C@]1(COC)CCC[N@@H+]1Cc1ncc(Br)s1 ZINC000434496144 1024098279 /nfs/dbraw/zinc/09/82/79/1024098279.db2.gz FZUCNYACQYJAHH-CYBMUJFWSA-N 1 2 333.295 3.687 20 0 EHADLO CCC[C@]1(COC)CCC[N@H+]1Cc1ncc(Br)s1 ZINC000434496144 1024098297 /nfs/dbraw/zinc/09/82/97/1024098297.db2.gz FZUCNYACQYJAHH-CYBMUJFWSA-N 1 2 333.295 3.687 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C1=CCCCC1 ZINC000548514444 1024100168 /nfs/dbraw/zinc/10/01/68/1024100168.db2.gz RPRFLTAWRZKWJF-KRWDZBQOSA-N 1 2 330.476 3.584 20 0 EHADLO Cc1cccn2cc(CC(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@@H]3C)[nH+]c12 ZINC000607578264 1033188082 /nfs/dbraw/zinc/18/80/82/1033188082.db2.gz FVPIBHQUUIHGTM-FUHIMQAGSA-N 1 2 347.462 3.978 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-c2cnco2)cc1 ZINC000342117607 1024138187 /nfs/dbraw/zinc/13/81/87/1024138187.db2.gz BPNCLNYXVDHOFT-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO Cc1sc(CCNc2[nH+]c(C)nc3[nH]ccc32)nc1-c1ccccc1 ZINC000443947846 1024147065 /nfs/dbraw/zinc/14/70/65/1024147065.db2.gz UEACLWAHFJOQOT-UHFFFAOYSA-N 1 2 349.463 3.775 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000151538432 1024161120 /nfs/dbraw/zinc/16/11/20/1024161120.db2.gz BVLLRSKKUAQVGZ-KRWDZBQOSA-N 1 2 340.471 3.832 20 0 EHADLO Cc1ccc(F)c(NC(=O)CCCn2cc[nH+]c2)c1Br ZINC000684644672 1024167649 /nfs/dbraw/zinc/16/76/49/1024167649.db2.gz RXKURMZALRBBRD-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000329775022 1024189835 /nfs/dbraw/zinc/18/98/35/1024189835.db2.gz IYBQULSMAVUQGO-SJLPKXTDSA-N 1 2 341.455 3.688 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000329775022 1024189847 /nfs/dbraw/zinc/18/98/47/1024189847.db2.gz IYBQULSMAVUQGO-SJLPKXTDSA-N 1 2 341.455 3.688 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2cccnc21 ZINC000342127238 1024194067 /nfs/dbraw/zinc/19/40/67/1024194067.db2.gz LSZPXJYZGDRWFP-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000548518523 1024210611 /nfs/dbraw/zinc/21/06/11/1024210611.db2.gz YCJWOHIGCCQRFL-VQIMIIECSA-N 1 2 348.450 3.662 20 0 EHADLO CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000342151148 1024247413 /nfs/dbraw/zinc/24/74/13/1024247413.db2.gz RBFPIRUTRLWFKK-UHFFFAOYSA-N 1 2 339.370 3.722 20 0 EHADLO C[C@@H](F)CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000505455871 1024250341 /nfs/dbraw/zinc/25/03/41/1024250341.db2.gz RNBCXIPDDHNABY-OAHLLOKOSA-N 1 2 348.491 3.762 20 0 EHADLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H](CO)c1ccccc1 ZINC000443621614 1024253069 /nfs/dbraw/zinc/25/30/69/1024253069.db2.gz MOWLSDMWSYIOKG-KRWDZBQOSA-N 1 2 344.361 3.785 20 0 EHADLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H](CO)c1ccccc1 ZINC000443621614 1024253084 /nfs/dbraw/zinc/25/30/84/1024253084.db2.gz MOWLSDMWSYIOKG-KRWDZBQOSA-N 1 2 344.361 3.785 20 0 EHADLO C[C@H](c1nnc(SCCCCF)n1-c1ccc(F)cc1)[NH+](C)C ZINC000505472408 1024303557 /nfs/dbraw/zinc/30/35/57/1024303557.db2.gz AFUUQWLOFSZVNV-GFCCVEGCSA-N 1 2 340.443 3.871 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000434714874 1024318460 /nfs/dbraw/zinc/31/84/60/1024318460.db2.gz UFQQPPJBEFZLLC-HUUCEWRRSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000434714874 1024318479 /nfs/dbraw/zinc/31/84/79/1024318479.db2.gz UFQQPPJBEFZLLC-HUUCEWRRSA-N 1 2 326.440 3.776 20 0 EHADLO C[C@H](CCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505477020 1024320245 /nfs/dbraw/zinc/32/02/45/1024320245.db2.gz QHZPJGDWCHVYDO-OXQOHEQNSA-N 1 2 340.442 3.883 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000051533074 1024329959 /nfs/dbraw/zinc/32/99/59/1024329959.db2.gz IGPGDYLKRZRMBS-UHFFFAOYSA-N 1 2 343.427 3.530 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000051533074 1024329976 /nfs/dbraw/zinc/32/99/76/1024329976.db2.gz IGPGDYLKRZRMBS-UHFFFAOYSA-N 1 2 343.427 3.530 20 0 EHADLO Fc1cc(-c2ccccc2)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000507791538 1024332406 /nfs/dbraw/zinc/33/24/06/1024332406.db2.gz CREDIQAJBLWIQQ-UHFFFAOYSA-N 1 2 348.425 3.605 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)[nH]1 ZINC000277252473 1024343104 /nfs/dbraw/zinc/34/31/04/1024343104.db2.gz OBTVGOSUKMHCGD-WCQYABFASA-N 1 2 332.496 3.737 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000548540018 1024344973 /nfs/dbraw/zinc/34/49/73/1024344973.db2.gz PGSZGYIAZGGQIZ-IAGOWNOFSA-N 1 2 327.428 3.735 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000894300688 1024346338 /nfs/dbraw/zinc/34/63/38/1024346338.db2.gz KIJRXVPFHWVRDI-UHFFFAOYSA-N 1 2 337.471 3.615 20 0 EHADLO COCC[N@@H+](Cc1ccns1)Cc1cc(Br)cs1 ZINC000639105905 1024355227 /nfs/dbraw/zinc/35/52/27/1024355227.db2.gz IWXYSPKUXFOYAJ-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO COCC[N@H+](Cc1ccns1)Cc1cc(Br)cs1 ZINC000639105905 1024355244 /nfs/dbraw/zinc/35/52/44/1024355244.db2.gz IWXYSPKUXFOYAJ-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000550558479 1024352546 /nfs/dbraw/zinc/35/25/46/1024352546.db2.gz VOTQSCJMVFXSDV-PBHICJAKSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000550558479 1024352555 /nfs/dbraw/zinc/35/25/55/1024352555.db2.gz VOTQSCJMVFXSDV-PBHICJAKSA-N 1 2 338.879 3.722 20 0 EHADLO C[C@H](c1cccc(Br)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000151673669 1024375501 /nfs/dbraw/zinc/37/55/01/1024375501.db2.gz BRDLESYVKCWGKD-LLVKDONJSA-N 1 2 335.249 3.508 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C(C)C)s2)CC[NH2+]1 ZINC000505506993 1024394400 /nfs/dbraw/zinc/39/44/00/1024394400.db2.gz PCKXNRCLQOMCIN-OAHLLOKOSA-N 1 2 344.480 3.667 20 0 EHADLO Clc1ccc(-c2nc(CSCC[NH+]3CCOCC3)co2)cc1 ZINC000342210540 1024410079 /nfs/dbraw/zinc/41/00/79/1024410079.db2.gz WXEKTECMQWTEQY-UHFFFAOYSA-N 1 2 338.860 3.560 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425193618 1024431032 /nfs/dbraw/zinc/43/10/32/1024431032.db2.gz LDQSECHSTQIRCM-AEFFLSMTSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)CC(C)(C)C1 ZINC000505530023 1024444611 /nfs/dbraw/zinc/44/46/11/1024444611.db2.gz MBLFILIIBSVVMC-KYJSFNMBSA-N 1 2 332.463 3.761 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505543722 1024456093 /nfs/dbraw/zinc/45/60/93/1024456093.db2.gz VDCROXPZPBOSMX-IXIUHKBRSA-N 1 2 344.474 3.905 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CCO[C@@H](C(C)C)C4)n3)[nH+]c12 ZINC000923878008 1024465009 /nfs/dbraw/zinc/46/50/09/1024465009.db2.gz UAMLCKLZCPYHGN-GOEBONIOSA-N 1 2 340.427 3.535 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473697 1024473888 /nfs/dbraw/zinc/47/38/88/1024473888.db2.gz GRALAHLBONQPGI-SNVBAGLBSA-N 1 2 326.824 4.000 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473697 1024473894 /nfs/dbraw/zinc/47/38/94/1024473894.db2.gz GRALAHLBONQPGI-SNVBAGLBSA-N 1 2 326.824 4.000 20 0 EHADLO Cc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2n[nH]cc21 ZINC000342236289 1024518148 /nfs/dbraw/zinc/51/81/48/1024518148.db2.gz UFVHNLADUDFFTJ-HNNXBMFYSA-N 1 2 345.406 3.755 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459164498 1024525487 /nfs/dbraw/zinc/52/54/87/1024525487.db2.gz CHTLLJIRWLOOCO-QGZVFWFLSA-N 1 2 348.878 3.655 20 0 EHADLO CCn1nc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c2ccccc21 ZINC000472057098 1024530477 /nfs/dbraw/zinc/53/04/77/1024530477.db2.gz DKKCPCZGMALBDK-UHFFFAOYSA-N 1 2 347.466 3.968 20 0 EHADLO CCc1ccc(Cl)c(CC)c1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459187541 1024547183 /nfs/dbraw/zinc/54/71/83/1024547183.db2.gz VABWFRMXHVJHFH-UHFFFAOYSA-N 1 2 334.851 3.563 20 0 EHADLO CN1C[C@H](CCNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1=O ZINC000895477833 1024550893 /nfs/dbraw/zinc/55/08/93/1024550893.db2.gz BKKOWCFLLPGFDB-LLVKDONJSA-N 1 2 337.345 3.534 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[nH]1 ZINC000277318396 1024581581 /nfs/dbraw/zinc/58/15/81/1024581581.db2.gz SWTOFJAJPRUDGV-STQMWFEESA-N 1 2 344.459 3.814 20 0 EHADLO CCc1ccc(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474218302 1024585267 /nfs/dbraw/zinc/58/52/67/1024585267.db2.gz NVOHVPKYMBZDJO-QGZVFWFLSA-N 1 2 339.483 3.859 20 0 EHADLO CCc1ccc(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474218302 1024585275 /nfs/dbraw/zinc/58/52/75/1024585275.db2.gz NVOHVPKYMBZDJO-QGZVFWFLSA-N 1 2 339.483 3.859 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1c[nH]c2ccccc21 ZINC000346280922 1024599322 /nfs/dbraw/zinc/59/93/22/1024599322.db2.gz PABHBFHGIHUXQJ-DOTOQJQBSA-N 1 2 349.434 3.736 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNc1cccc[nH+]1 ZINC000346298540 1024615537 /nfs/dbraw/zinc/61/55/37/1024615537.db2.gz WORHTNPCRFDBBY-UHFFFAOYSA-N 1 2 327.472 3.606 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000346308028 1024634318 /nfs/dbraw/zinc/63/43/18/1024634318.db2.gz KSWQFNMUUOZUTL-UHFFFAOYSA-N 1 2 326.425 3.666 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000346308028 1024634330 /nfs/dbraw/zinc/63/43/30/1024634330.db2.gz KSWQFNMUUOZUTL-UHFFFAOYSA-N 1 2 326.425 3.666 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(C(F)F)cc1)C2 ZINC001279141240 1024635632 /nfs/dbraw/zinc/63/56/32/1024635632.db2.gz QEOMIASXCYYBTQ-UHFFFAOYSA-N 1 2 349.450 3.849 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(C(F)F)cc1)C2 ZINC001279141240 1024635644 /nfs/dbraw/zinc/63/56/44/1024635644.db2.gz QEOMIASXCYYBTQ-UHFFFAOYSA-N 1 2 349.450 3.849 20 0 EHADLO Cc1ncsc1CN1CCC12C[NH+](Cc1ccc(C(F)F)cc1)C2 ZINC001279141240 1024635650 /nfs/dbraw/zinc/63/56/50/1024635650.db2.gz QEOMIASXCYYBTQ-UHFFFAOYSA-N 1 2 349.450 3.849 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc3n(n2)CCC3)c2ccccc2)cc1 ZINC000657291946 1024640305 /nfs/dbraw/zinc/64/03/05/1024640305.db2.gz DUMDIUAOXRTHNS-NRFANRHFSA-N 1 2 333.435 3.717 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC(COc3ccccc3)C2)c(C)[nH+]1 ZINC000514655881 1024641123 /nfs/dbraw/zinc/64/11/23/1024641123.db2.gz HSNBIICYGINRGV-UHFFFAOYSA-N 1 2 325.412 3.550 20 0 EHADLO CC[C@H](C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)on1 ZINC000151793703 1024649724 /nfs/dbraw/zinc/64/97/24/1024649724.db2.gz YBNDLAYKZJNPLG-NSHDSACASA-N 1 2 328.347 3.765 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccs1 ZINC000156895594 1024656052 /nfs/dbraw/zinc/65/60/52/1024656052.db2.gz CYKGVIGSTMKMTB-LBPRGKRZSA-N 1 2 335.498 3.933 20 0 EHADLO Cc1nc2cc(Cl)c(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000435178603 1024681901 /nfs/dbraw/zinc/68/19/01/1024681901.db2.gz UXJFMHRPDNJULJ-VIFPVBQESA-N 1 2 349.847 3.665 20 0 EHADLO OCC[C@H]([NH2+]Cc1nccn1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000895660200 1024699227 /nfs/dbraw/zinc/69/92/27/1024699227.db2.gz NSCHNCACDQRCBP-HNNXBMFYSA-N 1 2 340.254 3.738 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cn(C4CCC4)nn3)oc21 ZINC000657296476 1024703239 /nfs/dbraw/zinc/70/32/39/1024703239.db2.gz VKSOHJCXZWIFCK-ZDUSSCGKSA-N 1 2 340.427 3.999 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cncnc2)ccc1Br ZINC000281173913 1024704048 /nfs/dbraw/zinc/70/40/48/1024704048.db2.gz QXFTYDJAXLJEJN-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cncnc2)ccc1Br ZINC000281173913 1024704059 /nfs/dbraw/zinc/70/40/59/1024704059.db2.gz QXFTYDJAXLJEJN-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CCOc1c(C[N@H+](C)Cc2cccc(OC)c2)c(C)nn1CC(C)C ZINC000505636334 1024712922 /nfs/dbraw/zinc/71/29/22/1024712922.db2.gz NKGKTEXEQAYEIW-UHFFFAOYSA-N 1 2 345.487 3.887 20 0 EHADLO CCOc1c(C[N@@H+](C)Cc2cccc(OC)c2)c(C)nn1CC(C)C ZINC000505636334 1024712935 /nfs/dbraw/zinc/71/29/35/1024712935.db2.gz NKGKTEXEQAYEIW-UHFFFAOYSA-N 1 2 345.487 3.887 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1c(F)cncc1Br ZINC000657298040 1024713086 /nfs/dbraw/zinc/71/30/86/1024713086.db2.gz NYXMMOPVYMBONJ-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Oc1ccc([C@H]2CC[N@H+](Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895667050 1024714005 /nfs/dbraw/zinc/71/40/05/1024714005.db2.gz XBZBPWBAGJEMLP-NSHDSACASA-N 1 2 328.359 3.857 20 0 EHADLO Oc1ccc([C@H]2CC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895667050 1024714013 /nfs/dbraw/zinc/71/40/13/1024714013.db2.gz XBZBPWBAGJEMLP-NSHDSACASA-N 1 2 328.359 3.857 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(C3CCC3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000892103561 1024716853 /nfs/dbraw/zinc/71/68/53/1024716853.db2.gz YXIMRORGMYJNHM-KUHUBIRLSA-N 1 2 329.419 3.709 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000892103561 1024716862 /nfs/dbraw/zinc/71/68/62/1024716862.db2.gz YXIMRORGMYJNHM-KUHUBIRLSA-N 1 2 329.419 3.709 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cccn(C(F)F)c1=O ZINC000895688365 1024721355 /nfs/dbraw/zinc/72/13/55/1024721355.db2.gz JCHIGLHWLIJOBY-UHFFFAOYSA-N 1 2 325.384 3.504 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425317012 1024745028 /nfs/dbraw/zinc/74/50/28/1024745028.db2.gz QQDRXNCVOWKRSV-LZLYRXPVSA-N 1 2 325.456 3.969 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H]1CC[C@@H]1SC ZINC000425333107 1024794010 /nfs/dbraw/zinc/79/40/10/1024794010.db2.gz FFAMRCAZXRYHLV-RDJZCZTQSA-N 1 2 336.501 3.616 20 0 EHADLO c1ccc(OCc2ccncc2)c(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000342306267 1024798575 /nfs/dbraw/zinc/79/85/75/1024798575.db2.gz DDEPVJCULHCPDJ-UHFFFAOYSA-N 1 2 349.434 3.817 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001167510138 1024801984 /nfs/dbraw/zinc/80/19/84/1024801984.db2.gz WTLHVEQAXPHLNZ-UHFFFAOYSA-N 1 2 333.697 3.533 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001167510138 1024802007 /nfs/dbraw/zinc/80/20/07/1024802007.db2.gz WTLHVEQAXPHLNZ-UHFFFAOYSA-N 1 2 333.697 3.533 20 0 EHADLO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000342315090 1024830788 /nfs/dbraw/zinc/83/07/88/1024830788.db2.gz VYRJLBFXXWKZOI-UHFFFAOYSA-N 1 2 342.830 3.887 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CCCO1 ZINC000281306662 1024870055 /nfs/dbraw/zinc/87/00/55/1024870055.db2.gz QEXKZHJVXXDJRO-SNVBAGLBSA-N 1 2 334.279 3.520 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CCCO1 ZINC000281306662 1024870074 /nfs/dbraw/zinc/87/00/74/1024870074.db2.gz QEXKZHJVXXDJRO-SNVBAGLBSA-N 1 2 334.279 3.520 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000151875850 1024871989 /nfs/dbraw/zinc/87/19/89/1024871989.db2.gz LMHSGRDWXWCSEO-BDJLRTHQSA-N 1 2 335.810 3.707 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2F)c(OC)c1OC ZINC000505684180 1024873386 /nfs/dbraw/zinc/87/33/86/1024873386.db2.gz NSJVMZABKWUQSQ-UHFFFAOYSA-N 1 2 333.403 3.792 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2F)c(OC)c1OC ZINC000505684180 1024873397 /nfs/dbraw/zinc/87/33/97/1024873397.db2.gz NSJVMZABKWUQSQ-UHFFFAOYSA-N 1 2 333.403 3.792 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nn(C)c(C)c3Cl)C2)n1 ZINC000895821890 1024874860 /nfs/dbraw/zinc/87/48/60/1024874860.db2.gz HDQAWTKHCRDMQN-ZDUSSCGKSA-N 1 2 338.908 3.602 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nn(C)c(C)c3Cl)C2)n1 ZINC000895821890 1024874867 /nfs/dbraw/zinc/87/48/67/1024874867.db2.gz HDQAWTKHCRDMQN-ZDUSSCGKSA-N 1 2 338.908 3.602 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000281330073 1024904929 /nfs/dbraw/zinc/90/49/29/1024904929.db2.gz JPRZZBRSHHJZHO-UHFFFAOYSA-N 1 2 340.427 3.536 20 0 EHADLO c1cn(Cc2cccc(-c3nc(-c4ccc5nc[nH]c5c4)no3)c2)c[nH+]1 ZINC000346590641 1024905055 /nfs/dbraw/zinc/90/50/55/1024905055.db2.gz VPEWSRXKDBBUGL-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc(F)ccc1F ZINC001125577206 1024929175 /nfs/dbraw/zinc/92/91/75/1024929175.db2.gz UNSUQSXGIQCKRH-INIZCTEOSA-N 1 2 338.785 3.884 20 0 EHADLO COc1cc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211885481 1024932878 /nfs/dbraw/zinc/93/28/78/1024932878.db2.gz PNPLVYMVNRUFPN-HZPDHXFCSA-N 1 2 336.395 3.696 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009062 1024935590 /nfs/dbraw/zinc/93/55/90/1024935590.db2.gz SBNFLLVYVLMMQH-CRAIPNDOSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)o1 ZINC000115611208 1024946582 /nfs/dbraw/zinc/94/65/82/1024946582.db2.gz FVGNJGPQQDKEHT-IBGZPJMESA-N 1 2 338.382 3.710 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1cccs1 ZINC000068406813 1024961904 /nfs/dbraw/zinc/96/19/04/1024961904.db2.gz NHVACTDIBMPVGH-QGZVFWFLSA-N 1 2 341.480 3.610 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c[nH+]1 ZINC000895905516 1024964131 /nfs/dbraw/zinc/96/41/31/1024964131.db2.gz JBMTVRALGZULDT-OAHLLOKOSA-N 1 2 327.472 3.799 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602898736 1033249412 /nfs/dbraw/zinc/24/94/12/1033249412.db2.gz NGDSRZNDFDDJJO-KRWDZBQOSA-N 1 2 339.439 3.769 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602898736 1033249424 /nfs/dbraw/zinc/24/94/24/1033249424.db2.gz NGDSRZNDFDDJJO-KRWDZBQOSA-N 1 2 339.439 3.769 20 0 EHADLO Cc1ccc(C)n1C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000344495511 1024986045 /nfs/dbraw/zinc/98/60/45/1024986045.db2.gz SADOMUDKISAUOO-UHFFFAOYSA-N 1 2 348.450 3.768 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCC(C)(C)C3)cn2c1 ZINC000474470265 1025014821 /nfs/dbraw/zinc/01/48/21/1025014821.db2.gz NOVDFYWVJZOMNC-OAHLLOKOSA-N 1 2 345.512 3.961 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C(C)(C)C)cn1 ZINC000342346901 1025017957 /nfs/dbraw/zinc/01/79/57/1025017957.db2.gz REJMXSPXHFJLAR-GFCCVEGCSA-N 1 2 332.395 3.772 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(CSC)cc2)c1C ZINC000346696571 1025020908 /nfs/dbraw/zinc/02/09/08/1025020908.db2.gz RRDHIBLAPHDFQR-UHFFFAOYSA-N 1 2 344.480 3.842 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC(Cc1ccccc1)Cc1ccccc1 ZINC000623253295 1025029524 /nfs/dbraw/zinc/02/95/24/1025029524.db2.gz XQMXFSQYEAHZEF-UHFFFAOYSA-N 1 2 347.462 3.634 20 0 EHADLO CCOc1cc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000277418500 1025029713 /nfs/dbraw/zinc/02/97/13/1025029713.db2.gz MKTRRBQPEMAMBQ-CHWSQXEVSA-N 1 2 332.448 3.576 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657313645 1025036172 /nfs/dbraw/zinc/03/61/72/1025036172.db2.gz LPIALTNKWJBGPR-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO Cc1cc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)nn1C ZINC000487410067 1025036541 /nfs/dbraw/zinc/03/65/41/1025036541.db2.gz NVHSTCSUXMCIRZ-UHFFFAOYSA-N 1 2 338.430 3.508 20 0 EHADLO Cc1cc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)nn1C ZINC000487410067 1025036549 /nfs/dbraw/zinc/03/65/49/1025036549.db2.gz NVHSTCSUXMCIRZ-UHFFFAOYSA-N 1 2 338.430 3.508 20 0 EHADLO Cc1cccc(OCCCc2noc(C[C@H](C)n3cc[nH+]c3)n2)c1C ZINC000563228684 1025047372 /nfs/dbraw/zinc/04/73/72/1025047372.db2.gz DXTOQCWMJSSZGL-HNNXBMFYSA-N 1 2 340.427 3.698 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000342362314 1025066174 /nfs/dbraw/zinc/06/61/74/1025066174.db2.gz OLRVFSDBHZTFCL-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000342362314 1025066183 /nfs/dbraw/zinc/06/61/83/1025066183.db2.gz OLRVFSDBHZTFCL-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)o1 ZINC000896044606 1025097179 /nfs/dbraw/zinc/09/71/79/1025097179.db2.gz DHHXOQOYXAYQKP-UHFFFAOYSA-N 1 2 347.415 3.710 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)nnn1-c1ccccc1 ZINC000346787862 1025099292 /nfs/dbraw/zinc/09/92/92/1025099292.db2.gz AONZEENTUJQTQJ-OAHLLOKOSA-N 1 2 343.434 3.975 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000346777150 1025114538 /nfs/dbraw/zinc/11/45/38/1025114538.db2.gz CAGXUGLOTWGSAA-MMIPBJDJSA-N 1 2 332.513 3.780 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000097493146 1025124902 /nfs/dbraw/zinc/12/49/02/1025124902.db2.gz XGONERQHOVYIOS-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000097493146 1025124909 /nfs/dbraw/zinc/12/49/09/1025124909.db2.gz XGONERQHOVYIOS-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000342379927 1025126319 /nfs/dbraw/zinc/12/63/19/1025126319.db2.gz UHUNMYUKYKLXBC-UHFFFAOYSA-N 1 2 339.483 3.651 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000342379927 1025126320 /nfs/dbraw/zinc/12/63/20/1025126320.db2.gz UHUNMYUKYKLXBC-UHFFFAOYSA-N 1 2 339.483 3.651 20 0 EHADLO Cc1ncc(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)c(=O)[nH]1 ZINC000346805889 1025127438 /nfs/dbraw/zinc/12/74/38/1025127438.db2.gz ZXBGMUKUHXHHFX-IBGZPJMESA-N 1 2 346.390 3.511 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc(F)c1 ZINC000665271087 1025135882 /nfs/dbraw/zinc/13/58/82/1025135882.db2.gz GYBRLLNUCLWAOT-MOPGFXCFSA-N 1 2 336.414 3.508 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000657324009 1025160556 /nfs/dbraw/zinc/16/05/56/1025160556.db2.gz LEWIVFNTFKUTEQ-UHFFFAOYSA-N 1 2 326.213 3.655 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(SC(F)(F)F)nc2)c[nH+]1 ZINC000897965427 1033261920 /nfs/dbraw/zinc/26/19/20/1033261920.db2.gz YDNJMPVISWINKN-UHFFFAOYSA-N 1 2 344.362 3.572 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000152082870 1025154462 /nfs/dbraw/zinc/15/44/62/1025154462.db2.gz FDHFDYVRBRVMPZ-QWHCGFSZSA-N 1 2 347.821 3.596 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCC2CC2)C[C@@H](C)O1 ZINC000157811904 1025162535 /nfs/dbraw/zinc/16/25/35/1025162535.db2.gz VDMUEXVMMMRYKO-HZPDHXFCSA-N 1 2 345.487 3.560 20 0 EHADLO COc1cnc([C@@H]2CCC[N@@H+]2CCCc2ccccc2Cl)[nH]c1=O ZINC000934272788 1025205270 /nfs/dbraw/zinc/20/52/70/1025205270.db2.gz LSQVUUOXVYFPGC-HNNXBMFYSA-N 1 2 347.846 3.614 20 0 EHADLO COc1cnc([C@@H]2CCC[N@H+]2CCCc2ccccc2Cl)[nH]c1=O ZINC000934272788 1025205279 /nfs/dbraw/zinc/20/52/79/1025205279.db2.gz LSQVUUOXVYFPGC-HNNXBMFYSA-N 1 2 347.846 3.614 20 0 EHADLO Cc1cc(OCC(=O)N(C)Cc2cccs2)c2cccc(C)c2[nH+]1 ZINC000515418939 1025225118 /nfs/dbraw/zinc/22/51/18/1025225118.db2.gz KSDGGMXRCGIGHB-UHFFFAOYSA-N 1 2 340.448 3.951 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1Br ZINC000353879974 1025246045 /nfs/dbraw/zinc/24/60/45/1025246045.db2.gz PDGSENLYBNCMGX-NHYWBVRUSA-N 1 2 334.261 3.985 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000346858079 1025248459 /nfs/dbraw/zinc/24/84/59/1025248459.db2.gz VAJLDSGPPCPLPS-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000346858079 1025248464 /nfs/dbraw/zinc/24/84/64/1025248464.db2.gz VAJLDSGPPCPLPS-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO CC[C@@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000896217079 1025253897 /nfs/dbraw/zinc/25/38/97/1025253897.db2.gz ILIDKTLGIRIVGM-GUYCJALGSA-N 1 2 340.427 3.780 20 0 EHADLO CC[C@@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@H+]1CCO[C@@H](CC)C1 ZINC000896217079 1025253913 /nfs/dbraw/zinc/25/39/13/1025253913.db2.gz ILIDKTLGIRIVGM-GUYCJALGSA-N 1 2 340.427 3.780 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000281585359 1025265052 /nfs/dbraw/zinc/26/50/52/1025265052.db2.gz DPBJNGZQBRSBEA-CZUORRHYSA-N 1 2 329.444 3.970 20 0 EHADLO CCC[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H](CC)C(=O)OCC ZINC000425437873 1025278897 /nfs/dbraw/zinc/27/88/97/1025278897.db2.gz CEHVQHNURIBBLL-IBGZPJMESA-N 1 2 341.455 3.697 20 0 EHADLO CCC[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H](CC)C(=O)OCC ZINC000425437873 1025278902 /nfs/dbraw/zinc/27/89/02/1025278902.db2.gz CEHVQHNURIBBLL-IBGZPJMESA-N 1 2 341.455 3.697 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896241435 1025283868 /nfs/dbraw/zinc/28/38/68/1025283868.db2.gz YRXLCCLEFJWLBE-SNVBAGLBSA-N 1 2 342.226 3.683 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896241435 1025283878 /nfs/dbraw/zinc/28/38/78/1025283878.db2.gz YRXLCCLEFJWLBE-SNVBAGLBSA-N 1 2 342.226 3.683 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000521288050 1025310668 /nfs/dbraw/zinc/31/06/68/1025310668.db2.gz HYIYBQHWDMLHCP-SJORKVTESA-N 1 2 331.847 3.769 20 0 EHADLO COCCC[C@@H](c1noc(C2([NH+](C)C)CC2)n1)c1ccc(Cl)cc1 ZINC000896286692 1025319711 /nfs/dbraw/zinc/31/97/11/1025319711.db2.gz SVMMPCFLDSLCNM-OAHLLOKOSA-N 1 2 349.862 3.832 20 0 EHADLO COCCC[C@H](c1noc(C2([NH+](C)C)CC2)n1)c1ccc(Cl)cc1 ZINC000896286691 1025319782 /nfs/dbraw/zinc/31/97/82/1025319782.db2.gz SVMMPCFLDSLCNM-HNNXBMFYSA-N 1 2 349.862 3.832 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452243 1025319917 /nfs/dbraw/zinc/31/99/17/1025319917.db2.gz CMTNEPPXEUDBFA-HOTGVXAUSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452243 1025319932 /nfs/dbraw/zinc/31/99/32/1025319932.db2.gz CMTNEPPXEUDBFA-HOTGVXAUSA-N 1 2 329.362 3.504 20 0 EHADLO C[C@H](C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[NH+]1CCSCC1 ZINC000442471634 1025324425 /nfs/dbraw/zinc/32/44/25/1025324425.db2.gz LCDBKFVOLKHXAF-CQSZACIVSA-N 1 2 338.476 3.634 20 0 EHADLO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000347002569 1025380505 /nfs/dbraw/zinc/38/05/05/1025380505.db2.gz VXKRVKIFHFMCRL-LJQANCHMSA-N 1 2 335.382 3.690 20 0 EHADLO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000515576785 1025385047 /nfs/dbraw/zinc/38/50/47/1025385047.db2.gz IDNFBKVNKPJUKJ-CYBMUJFWSA-N 1 2 345.349 3.544 20 0 EHADLO Fc1ccc2oc(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000515576785 1025385058 /nfs/dbraw/zinc/38/50/58/1025385058.db2.gz IDNFBKVNKPJUKJ-CYBMUJFWSA-N 1 2 345.349 3.544 20 0 EHADLO O=C(/C=C/c1cccs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281702035 1025392560 /nfs/dbraw/zinc/39/25/60/1025392560.db2.gz BWSVNEMCLRUSNA-HVHJFMEUSA-N 1 2 341.480 3.700 20 0 EHADLO Cc1cncc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000442685389 1025422876 /nfs/dbraw/zinc/42/28/76/1025422876.db2.gz VEZBCAYINFYELR-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000442685389 1025422892 /nfs/dbraw/zinc/42/28/92/1025422892.db2.gz VEZBCAYINFYELR-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000442688536 1025424807 /nfs/dbraw/zinc/42/48/07/1025424807.db2.gz LXOFOYSGPUFJFS-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cncc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000442688536 1025424811 /nfs/dbraw/zinc/42/48/11/1025424811.db2.gz LXOFOYSGPUFJFS-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO CC(C)COCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436189996 1025441129 /nfs/dbraw/zinc/44/11/29/1025441129.db2.gz VKOAEQQYUGTFLJ-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000564665002 1025458697 /nfs/dbraw/zinc/45/86/97/1025458697.db2.gz DWBDELCWNPWYMU-AWEZNQCLSA-N 1 2 337.423 3.575 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896456362 1025464585 /nfs/dbraw/zinc/46/45/85/1025464585.db2.gz TYWRELSZHINDBU-ZDUSSCGKSA-N 1 2 335.439 3.735 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896456362 1025464593 /nfs/dbraw/zinc/46/45/93/1025464593.db2.gz TYWRELSZHINDBU-ZDUSSCGKSA-N 1 2 335.439 3.735 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451121303 1025557716 /nfs/dbraw/zinc/55/77/16/1025557716.db2.gz NTMRHLJMRKEJKF-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO CCC(=O)CCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451121303 1025557732 /nfs/dbraw/zinc/55/77/32/1025557732.db2.gz NTMRHLJMRKEJKF-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ncnn1CC(C)C ZINC000425511765 1025558566 /nfs/dbraw/zinc/55/85/66/1025558566.db2.gz LWFCRORRVSDJST-UHFFFAOYSA-N 1 2 336.867 3.621 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)cn1 ZINC000436300339 1025563277 /nfs/dbraw/zinc/56/32/77/1025563277.db2.gz JNDRGBWHLQEDDU-UHFFFAOYSA-N 1 2 339.464 3.622 20 0 EHADLO Cc1nnc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000451145918 1025595880 /nfs/dbraw/zinc/59/58/80/1025595880.db2.gz KQUQFPUSAFPDJW-UHFFFAOYSA-N 1 2 329.347 3.524 20 0 EHADLO FC(F)Oc1cc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)ccn1 ZINC000926378880 1025598875 /nfs/dbraw/zinc/59/88/75/1025598875.db2.gz RFMZNSSLXFDJBI-CYBMUJFWSA-N 1 2 340.757 3.698 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281880086 1025630204 /nfs/dbraw/zinc/63/02/04/1025630204.db2.gz DBYMCYJYUUPZCG-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000444114002 1025656077 /nfs/dbraw/zinc/65/60/77/1025656077.db2.gz UUKFBFAHCWCDHE-IAGOWNOFSA-N 1 2 334.508 3.767 20 0 EHADLO OCC1CCN(c2[nH+]cccc2NCc2ccc(C(F)F)cc2)CC1 ZINC000530322725 1025658171 /nfs/dbraw/zinc/65/81/71/1025658171.db2.gz NJAATJLMAIAHFR-UHFFFAOYSA-N 1 2 347.409 3.840 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2ccncc2s1 ZINC000451191912 1025663779 /nfs/dbraw/zinc/66/37/79/1025663779.db2.gz VCDLQPYDKKBFDS-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000505811317 1025669740 /nfs/dbraw/zinc/66/97/40/1025669740.db2.gz FJLBWNPUIRMYJV-QIAWRQBBSA-N 1 2 337.345 3.852 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000505811317 1025669749 /nfs/dbraw/zinc/66/97/49/1025669749.db2.gz FJLBWNPUIRMYJV-QIAWRQBBSA-N 1 2 337.345 3.852 20 0 EHADLO COCc1nc(C[N@H+](C)CCCOc2cccc(Cl)c2)cs1 ZINC000352303263 1025674605 /nfs/dbraw/zinc/67/46/05/1025674605.db2.gz QUXYZTYEFMHHPC-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO COCc1nc(C[N@@H+](C)CCCOc2cccc(Cl)c2)cs1 ZINC000352303263 1025674612 /nfs/dbraw/zinc/67/46/12/1025674612.db2.gz QUXYZTYEFMHHPC-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001167558448 1025679661 /nfs/dbraw/zinc/67/96/61/1025679661.db2.gz NSDGOAOFIZSSAL-HKUYNNGSSA-N 1 2 346.515 3.934 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001167558448 1025679671 /nfs/dbraw/zinc/67/96/71/1025679671.db2.gz NSDGOAOFIZSSAL-HKUYNNGSSA-N 1 2 346.515 3.934 20 0 EHADLO c1cc(C[N@@H+]2CCOC[C@@]23CCOC3)cc(OCC2CCCCC2)c1 ZINC000443067307 1025683536 /nfs/dbraw/zinc/68/35/36/1025683536.db2.gz IUFROKOIXOPHIX-NRFANRHFSA-N 1 2 345.483 3.637 20 0 EHADLO c1cc(C[N@H+]2CCOC[C@@]23CCOC3)cc(OCC2CCCCC2)c1 ZINC000443067307 1025683546 /nfs/dbraw/zinc/68/35/46/1025683546.db2.gz IUFROKOIXOPHIX-NRFANRHFSA-N 1 2 345.483 3.637 20 0 EHADLO Cc1nc(N2CCCN(c3ccccc3F)CC2)c2c([nH+]1)CCCC2 ZINC000515890028 1025715368 /nfs/dbraw/zinc/71/53/68/1025715368.db2.gz SMJWKPPNBPIHKV-UHFFFAOYSA-N 1 2 340.446 3.520 20 0 EHADLO Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000216161992 1025739879 /nfs/dbraw/zinc/73/98/79/1025739879.db2.gz RGDSRCSFFVDDBM-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1(CCF)CC1 ZINC000425563800 1025756202 /nfs/dbraw/zinc/75/62/02/1025756202.db2.gz DYLYRUWMEMKIHB-UHFFFAOYSA-N 1 2 327.403 3.965 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282330 1025756518 /nfs/dbraw/zinc/75/65/18/1025756518.db2.gz LFKSOFIQSWMRLD-IEBWSBKVSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282330 1025756536 /nfs/dbraw/zinc/75/65/36/1025756536.db2.gz LFKSOFIQSWMRLD-IEBWSBKVSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282334 1025757045 /nfs/dbraw/zinc/75/70/45/1025757045.db2.gz LFKSOFIQSWMRLD-PKOBYXMFSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282334 1025757063 /nfs/dbraw/zinc/75/70/63/1025757063.db2.gz LFKSOFIQSWMRLD-PKOBYXMFSA-N 1 2 349.833 3.649 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1c1ccccc1 ZINC000451282483 1025757582 /nfs/dbraw/zinc/75/75/82/1025757582.db2.gz LPBHJXXGGDIQCJ-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1c1ccccc1 ZINC000451282483 1025757600 /nfs/dbraw/zinc/75/76/00/1025757600.db2.gz LPBHJXXGGDIQCJ-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO CCCCSCCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318761 1025765491 /nfs/dbraw/zinc/76/54/91/1025765491.db2.gz GFYTZAYPGJXDNO-KRWDZBQOSA-N 1 2 345.512 3.744 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000081318756 1025765960 /nfs/dbraw/zinc/76/59/60/1025765960.db2.gz WHKOZGKHBPHYDF-PBHICJAKSA-N 1 2 339.464 3.685 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000521894991 1025766438 /nfs/dbraw/zinc/76/64/38/1025766438.db2.gz ZLNGCRYOKWXOMC-RPVQJOFSSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000521894991 1025766445 /nfs/dbraw/zinc/76/64/45/1025766445.db2.gz ZLNGCRYOKWXOMC-RPVQJOFSSA-N 1 2 339.863 3.507 20 0 EHADLO O=C(CCOCC1CC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425567347 1025771168 /nfs/dbraw/zinc/77/11/68/1025771168.db2.gz IPHOPPZZBWTXGS-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000443169876 1025780659 /nfs/dbraw/zinc/78/06/59/1025780659.db2.gz JYMWVJWBZYROAD-RDJZCZTQSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cccc3cccnc32)c(C)[nH+]1 ZINC000436499927 1025785225 /nfs/dbraw/zinc/78/52/25/1025785225.db2.gz YDSOYAVWCKJZJU-UHFFFAOYSA-N 1 2 334.423 3.919 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(C)c[nH+]1 ZINC000367033599 1025814118 /nfs/dbraw/zinc/81/41/18/1025814118.db2.gz OXELOXUJNAIJBA-AWEZNQCLSA-N 1 2 341.377 3.707 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCc2ccncc2)o1 ZINC000347298610 1025839549 /nfs/dbraw/zinc/83/95/49/1025839549.db2.gz OIFIXHHCOXTRAF-IBGZPJMESA-N 1 2 334.423 3.505 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCc2ccncc2)o1 ZINC000347298610 1025839566 /nfs/dbraw/zinc/83/95/66/1025839566.db2.gz OIFIXHHCOXTRAF-IBGZPJMESA-N 1 2 334.423 3.505 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451359211 1025867865 /nfs/dbraw/zinc/86/78/65/1025867865.db2.gz VSOKGJMDPLOUOU-RFAUZJTJSA-N 1 2 339.798 3.810 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000158381177 1025884747 /nfs/dbraw/zinc/88/47/47/1025884747.db2.gz DNIDWMCWKNFRBZ-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000121825190 1025894276 /nfs/dbraw/zinc/89/42/76/1025894276.db2.gz QKOAFNNCLSQAFV-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000121829427 1025899389 /nfs/dbraw/zinc/89/93/89/1025899389.db2.gz GPOFZJFEDPWLMS-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443332448 1025907122 /nfs/dbraw/zinc/90/71/22/1025907122.db2.gz HRTHPCPFXKMUGX-UHFFFAOYSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443332448 1025907139 /nfs/dbraw/zinc/90/71/39/1025907139.db2.gz HRTHPCPFXKMUGX-UHFFFAOYSA-N 1 2 348.512 3.771 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)nc1C(C)C ZINC000451396052 1025921428 /nfs/dbraw/zinc/92/14/28/1025921428.db2.gz FJZWIHFUEBBUBO-UHFFFAOYSA-N 1 2 342.487 3.825 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)NCCCNc1cccc[nH+]1 ZINC000444238883 1025952384 /nfs/dbraw/zinc/95/23/84/1025952384.db2.gz BGRCXHFOFIJHTI-INIZCTEOSA-N 1 2 349.434 3.621 20 0 EHADLO CCN(CC)c1ccc(Nc2cnc3cc(F)c(F)cc3n2)c[nH+]1 ZINC000522936307 1025979489 /nfs/dbraw/zinc/97/94/89/1025979489.db2.gz YBLCKIHEDVBJTE-UHFFFAOYSA-N 1 2 329.354 3.893 20 0 EHADLO Cn1c[nH+]cc1COc1cccc(-c2nc3cc(F)ccc3n2C)c1 ZINC000443394345 1025980460 /nfs/dbraw/zinc/98/04/60/1025980460.db2.gz YQXDSWUHJSBKMD-UHFFFAOYSA-N 1 2 336.370 3.692 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(F)ccc3O)cc2)c1C ZINC000436642130 1025990901 /nfs/dbraw/zinc/99/09/01/1025990901.db2.gz QOGGDNGYBXCSDG-UHFFFAOYSA-N 1 2 325.343 3.586 20 0 EHADLO CC(C)(C)OCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000475065371 1025992597 /nfs/dbraw/zinc/99/25/97/1025992597.db2.gz QSYXSEKCCXFUHX-KRWDZBQOSA-N 1 2 327.415 3.933 20 0 EHADLO CC(C)(C)OCCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000475065371 1025992613 /nfs/dbraw/zinc/99/26/13/1025992613.db2.gz QSYXSEKCCXFUHX-KRWDZBQOSA-N 1 2 327.415 3.933 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000443405376 1026002514 /nfs/dbraw/zinc/00/25/14/1026002514.db2.gz JACNKSLUVTXFHI-UHFFFAOYSA-N 1 2 340.311 3.694 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000158505900 1026056681 /nfs/dbraw/zinc/05/66/81/1026056681.db2.gz CFYWPBJWXBSGGA-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000158505900 1026056697 /nfs/dbraw/zinc/05/66/97/1026056697.db2.gz CFYWPBJWXBSGGA-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC001141920035 1026095604 /nfs/dbraw/zinc/09/56/04/1026095604.db2.gz IWXSVRMSKUVYLG-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC001141920035 1026095620 /nfs/dbraw/zinc/09/56/20/1026095620.db2.gz IWXSVRMSKUVYLG-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO CSC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCC1 ZINC000896824554 1026096963 /nfs/dbraw/zinc/09/69/63/1026096963.db2.gz YFDJOKPFKQSOPN-UHFFFAOYSA-N 1 2 326.425 3.588 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939996 1026126269 /nfs/dbraw/zinc/12/62/69/1026126269.db2.gz SCUJFUUJCOPZIL-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939996 1026126282 /nfs/dbraw/zinc/12/62/82/1026126282.db2.gz SCUJFUUJCOPZIL-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451579830 1026130340 /nfs/dbraw/zinc/13/03/40/1026130340.db2.gz ZCKUKXMBYKWDCA-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451579830 1026130346 /nfs/dbraw/zinc/13/03/46/1026130346.db2.gz ZCKUKXMBYKWDCA-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CC(C)(C)c1cc2n(n1)CC[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000896942651 1026134696 /nfs/dbraw/zinc/13/46/96/1026134696.db2.gz IXEWZYPFJKNKMC-UHFFFAOYSA-N 1 2 341.484 3.648 20 0 EHADLO CC(C)(C)c1cc2n(n1)CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000896942651 1026134703 /nfs/dbraw/zinc/13/47/03/1026134703.db2.gz IXEWZYPFJKNKMC-UHFFFAOYSA-N 1 2 341.484 3.648 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000516216326 1026147577 /nfs/dbraw/zinc/14/75/77/1026147577.db2.gz FQSHSIUQNBRDOS-PBHICJAKSA-N 1 2 342.439 3.785 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000516216326 1026147585 /nfs/dbraw/zinc/14/75/85/1026147585.db2.gz FQSHSIUQNBRDOS-PBHICJAKSA-N 1 2 342.439 3.785 20 0 EHADLO CCCn1nccc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000657419491 1026167270 /nfs/dbraw/zinc/16/72/70/1026167270.db2.gz SYXPKDHKTIEALV-UHFFFAOYSA-N 1 2 333.439 3.820 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000152475099 1026176100 /nfs/dbraw/zinc/17/61/00/1026176100.db2.gz JHHLJDKKCHJNMB-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]34C[C@H]3CCCC4)n2)C1 ZINC001626418017 1026193806 /nfs/dbraw/zinc/19/38/06/1026193806.db2.gz NYWJEQSSWKZMRC-HBUWYVDXSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]34C[C@H]3CCCC4)n2)C1 ZINC001626418017 1026193812 /nfs/dbraw/zinc/19/38/12/1026193812.db2.gz NYWJEQSSWKZMRC-HBUWYVDXSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC=CCC1 ZINC000451659843 1026211904 /nfs/dbraw/zinc/21/19/04/1026211904.db2.gz BYVQPIIYSOFDRB-JXFKEZNVSA-N 1 2 327.472 3.672 20 0 EHADLO COCC[C@H]([NH2+]Cc1cc(C)on1)c1cccc(C(F)(F)F)c1 ZINC000451698326 1026217869 /nfs/dbraw/zinc/21/78/69/1026217869.db2.gz YNCNMYMGFPRGTK-HNNXBMFYSA-N 1 2 328.334 3.869 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccnn3)no2)cc1 ZINC000897031897 1026243832 /nfs/dbraw/zinc/24/38/32/1026243832.db2.gz VIERGOXZOUMMKP-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccnn3)no2)cc1 ZINC000897031897 1026243846 /nfs/dbraw/zinc/24/38/46/1026243846.db2.gz VIERGOXZOUMMKP-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO CC[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C(C)C ZINC000111684683 1026309934 /nfs/dbraw/zinc/30/99/34/1026309934.db2.gz KHOGABMNILBZHO-UHFFFAOYSA-N 1 2 338.249 3.653 20 0 EHADLO CC[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C(C)C ZINC000111684683 1026309947 /nfs/dbraw/zinc/30/99/47/1026309947.db2.gz KHOGABMNILBZHO-UHFFFAOYSA-N 1 2 338.249 3.653 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827838 1026312612 /nfs/dbraw/zinc/31/26/12/1026312612.db2.gz AMCSNMUAGZSAKJ-CBZIJGRNSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827838 1026312618 /nfs/dbraw/zinc/31/26/18/1026312618.db2.gz AMCSNMUAGZSAKJ-CBZIJGRNSA-N 1 2 330.472 3.890 20 0 EHADLO CCC[C@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475191567 1026324150 /nfs/dbraw/zinc/32/41/50/1026324150.db2.gz QJETYVMJRXMDMT-FQEVSTJZSA-N 1 2 331.504 3.589 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451863306 1026331727 /nfs/dbraw/zinc/33/17/27/1026331727.db2.gz VYLVLAICMPNWFF-QGZVFWFLSA-N 1 2 329.396 3.949 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451863306 1026331740 /nfs/dbraw/zinc/33/17/40/1026331740.db2.gz VYLVLAICMPNWFF-QGZVFWFLSA-N 1 2 329.396 3.949 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841617 1026337359 /nfs/dbraw/zinc/33/73/59/1026337359.db2.gz QHTBZJXFPSEFSN-DFGXFYAUSA-N 1 2 330.472 3.700 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841617 1026337361 /nfs/dbraw/zinc/33/73/61/1026337361.db2.gz QHTBZJXFPSEFSN-DFGXFYAUSA-N 1 2 330.472 3.700 20 0 EHADLO Cc1cc2ncc([C@@H](C)Nc3ccc(N4CCCC4)[nH+]c3)c(C)n2n1 ZINC000192751359 1026337379 /nfs/dbraw/zinc/33/73/79/1026337379.db2.gz RPDYZVYKBMSYJU-CQSZACIVSA-N 1 2 336.443 3.514 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913931 1026376631 /nfs/dbraw/zinc/37/66/31/1026376631.db2.gz TYMRJTMHKLNVDX-AAEUAGOBSA-N 1 2 334.407 3.546 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913931 1026376640 /nfs/dbraw/zinc/37/66/40/1026376640.db2.gz TYMRJTMHKLNVDX-AAEUAGOBSA-N 1 2 334.407 3.546 20 0 EHADLO CC(C)n1ccnc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915549 1026379434 /nfs/dbraw/zinc/37/94/34/1026379434.db2.gz UFAPRBIACGSYGN-INIZCTEOSA-N 1 2 342.270 3.768 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C2CC2)cc1 ZINC000582475212 1026381619 /nfs/dbraw/zinc/38/16/19/1026381619.db2.gz FVKRUKQXJBZWKH-RDTXWAMCSA-N 1 2 338.455 3.558 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000530905602 1026391757 /nfs/dbraw/zinc/39/17/57/1026391757.db2.gz PDXABNYISMCXOQ-MRXNPFEDSA-N 1 2 348.446 3.855 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000530905602 1026391771 /nfs/dbraw/zinc/39/17/71/1026391771.db2.gz PDXABNYISMCXOQ-MRXNPFEDSA-N 1 2 348.446 3.855 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F)c1ccccc1 ZINC000451965531 1026403046 /nfs/dbraw/zinc/40/30/46/1026403046.db2.gz KTBJSHBBILVBOS-GOSISDBHSA-N 1 2 330.378 3.765 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F)c1ccccc1 ZINC000451965531 1026403053 /nfs/dbraw/zinc/40/30/53/1026403053.db2.gz KTBJSHBBILVBOS-GOSISDBHSA-N 1 2 330.378 3.765 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451956066 1026415153 /nfs/dbraw/zinc/41/51/53/1026415153.db2.gz CGEPEILDVAAWEA-SJCJKPOMSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451956066 1026415159 /nfs/dbraw/zinc/41/51/59/1026415159.db2.gz CGEPEILDVAAWEA-SJCJKPOMSA-N 1 2 340.439 3.511 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641598 1026418401 /nfs/dbraw/zinc/41/84/01/1026418401.db2.gz CCPHXPKFVPHZKN-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641598 1026418404 /nfs/dbraw/zinc/41/84/04/1026418404.db2.gz CCPHXPKFVPHZKN-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2ccn(-c3ccccc3)n2)c1 ZINC000530930471 1026430650 /nfs/dbraw/zinc/43/06/50/1026430650.db2.gz DPEFVFUJWGHKQE-UHFFFAOYSA-N 1 2 332.329 3.941 20 0 EHADLO CCOc1cccc(C[N@H+](CCO)Cc2nc3ccccc3s2)c1 ZINC000452048194 1026455641 /nfs/dbraw/zinc/45/56/41/1026455641.db2.gz PCUARTQOIGEVCZ-UHFFFAOYSA-N 1 2 342.464 3.690 20 0 EHADLO CCOc1cccc(C[N@@H+](CCO)Cc2nc3ccccc3s2)c1 ZINC000452048194 1026455647 /nfs/dbraw/zinc/45/56/47/1026455647.db2.gz PCUARTQOIGEVCZ-UHFFFAOYSA-N 1 2 342.464 3.690 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@](=O)C1 ZINC000277662664 1026473067 /nfs/dbraw/zinc/47/30/67/1026473067.db2.gz ZXZIAKSAGCZVLJ-WHEQGISXSA-N 1 2 337.872 3.800 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@](=O)C1 ZINC000277662664 1026473071 /nfs/dbraw/zinc/47/30/71/1026473071.db2.gz ZXZIAKSAGCZVLJ-WHEQGISXSA-N 1 2 337.872 3.800 20 0 EHADLO c1nc(-c2cccc(NCc3c[nH+]c4n3CCC4)c2)n2c1CCCC2 ZINC000657450611 1026509507 /nfs/dbraw/zinc/50/95/07/1026509507.db2.gz WPJDVOWCGZSOBM-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000531053424 1026513891 /nfs/dbraw/zinc/51/38/91/1026513891.db2.gz WEUHMXWNMIFIKS-AWEZNQCLSA-N 1 2 338.436 3.553 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCC3CC3)n2)C1 ZINC000523022599 1026546128 /nfs/dbraw/zinc/54/61/28/1026546128.db2.gz BZVRIDVYVPLDHE-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCC3CC3)n2)C1 ZINC000523022599 1026546136 /nfs/dbraw/zinc/54/61/36/1026546136.db2.gz BZVRIDVYVPLDHE-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC3(CC3)CC2)c1C ZINC000277696526 1026597248 /nfs/dbraw/zinc/59/72/48/1026597248.db2.gz HJQZFHJGXOHQFA-UHFFFAOYSA-N 1 2 331.460 3.571 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC000684917541 1026602615 /nfs/dbraw/zinc/60/26/15/1026602615.db2.gz IQECYSZEEVBSEA-QGZVFWFLSA-N 1 2 335.407 3.604 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728745586 1026608905 /nfs/dbraw/zinc/60/89/05/1026608905.db2.gz FGYVVHJYMIBFDV-HOCLYGCPSA-N 1 2 346.862 3.514 20 0 EHADLO CC[C@@H](C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626286 1026611292 /nfs/dbraw/zinc/61/12/92/1026611292.db2.gz UUSYXIDWPKDQEJ-ZACQAIPSSA-N 1 2 347.503 3.854 20 0 EHADLO CC[C@@H](C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626286 1026611295 /nfs/dbraw/zinc/61/12/95/1026611295.db2.gz UUSYXIDWPKDQEJ-ZACQAIPSSA-N 1 2 347.503 3.854 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@]2(C)CC2(C)C)C[C@@H](C)O1 ZINC000665625947 1026616273 /nfs/dbraw/zinc/61/62/73/1026616273.db2.gz PDSWAJSUNTZEIZ-STXHMFSFSA-N 1 2 345.487 3.606 20 0 EHADLO CCCc1occc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684919083 1026617863 /nfs/dbraw/zinc/61/78/63/1026617863.db2.gz XUHRFKYYBYDBGZ-QGZVFWFLSA-N 1 2 337.423 3.679 20 0 EHADLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000452334490 1026668102 /nfs/dbraw/zinc/66/81/02/1026668102.db2.gz UVGPPWJOQVPFDQ-NSHDSACASA-N 1 2 337.345 3.980 20 0 EHADLO Cc1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000301112261 1026689565 /nfs/dbraw/zinc/68/95/65/1026689565.db2.gz SVUOWFKOFAABAS-HNNXBMFYSA-N 1 2 328.435 3.986 20 0 EHADLO CCCOc1ccc(CCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452335899 1026691692 /nfs/dbraw/zinc/69/16/92/1026691692.db2.gz SKCZOBDBIJRHFA-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452418810 1026736612 /nfs/dbraw/zinc/73/66/12/1026736612.db2.gz KSCSYFMBKGFHOW-MOPGFXCFSA-N 1 2 339.483 3.807 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1Cl ZINC000301339212 1026767984 /nfs/dbraw/zinc/76/79/84/1026767984.db2.gz HPLBJJZMYCNSHI-LBPRGKRZSA-N 1 2 334.876 3.856 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1Cl ZINC000301339212 1026767988 /nfs/dbraw/zinc/76/79/88/1026767988.db2.gz HPLBJJZMYCNSHI-LBPRGKRZSA-N 1 2 334.876 3.856 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)Cc1ccncc1 ZINC000301377457 1026783055 /nfs/dbraw/zinc/78/30/55/1026783055.db2.gz WSEUKPXHUXOJGR-UHFFFAOYSA-N 1 2 335.407 3.751 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000665653077 1026784265 /nfs/dbraw/zinc/78/42/65/1026784265.db2.gz XAFGGHPDFBQMTG-UHOSZYNNSA-N 1 2 325.456 3.752 20 0 EHADLO COc1cccc(F)c1[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301417512 1026798971 /nfs/dbraw/zinc/79/89/71/1026798971.db2.gz BBMRCJBMYHYFRW-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO COc1cccc(F)c1[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301417512 1026798978 /nfs/dbraw/zinc/79/89/78/1026798978.db2.gz BBMRCJBMYHYFRW-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO Cc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)c(C)[nH+]1 ZINC000301434300 1026805622 /nfs/dbraw/zinc/80/56/22/1026805622.db2.gz ILHGPVLNJPBTJE-MRXNPFEDSA-N 1 2 325.412 3.515 20 0 EHADLO Cc1cc(NCCc2csc(N3CCCC3)n2)nc(C(C)C)[nH+]1 ZINC000301448420 1026809576 /nfs/dbraw/zinc/80/95/76/1026809576.db2.gz WMDKPKPFBMPQRX-UHFFFAOYSA-N 1 2 331.489 3.620 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000452544950 1026829277 /nfs/dbraw/zinc/82/92/77/1026829277.db2.gz TWKWESGZOWLISX-GFCCVEGCSA-N 1 2 335.398 3.874 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000277767495 1026859432 /nfs/dbraw/zinc/85/94/32/1026859432.db2.gz KWJZPIHITCYINX-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)c(C)s1 ZINC000684963228 1026865533 /nfs/dbraw/zinc/86/55/33/1026865533.db2.gz OFWBGZDWJSWBLD-SECBINFHSA-N 1 2 345.390 3.947 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000531381623 1026869870 /nfs/dbraw/zinc/86/98/70/1026869870.db2.gz BFZZIBBWMAIVFW-NSHDSACASA-N 1 2 348.796 3.886 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000531381623 1026869879 /nfs/dbraw/zinc/86/98/79/1026869879.db2.gz BFZZIBBWMAIVFW-NSHDSACASA-N 1 2 348.796 3.886 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684964991 1026872063 /nfs/dbraw/zinc/87/20/63/1026872063.db2.gz CHZZIPYEPSNIRM-VXGBXAGGSA-N 1 2 343.315 3.945 20 0 EHADLO FC(F)(F)c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000301629107 1026881853 /nfs/dbraw/zinc/88/18/53/1026881853.db2.gz ICMABLIZNACWKG-LBPRGKRZSA-N 1 2 343.736 3.807 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1Cl ZINC000301670255 1026895784 /nfs/dbraw/zinc/89/57/84/1026895784.db2.gz NLGYUNRISIAGAJ-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1Cl ZINC000301670255 1026895792 /nfs/dbraw/zinc/89/57/92/1026895792.db2.gz NLGYUNRISIAGAJ-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(OCc2cscn2)c1)n1cc[nH+]c1 ZINC001125615077 1026921676 /nfs/dbraw/zinc/92/16/76/1026921676.db2.gz XRJQFYHESBIUHP-CYBMUJFWSA-N 1 2 342.424 3.508 20 0 EHADLO Cc1cccc(NC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000301802495 1026943586 /nfs/dbraw/zinc/94/35/86/1026943586.db2.gz AEUHWXGBERZIGW-UHFFFAOYSA-N 1 2 337.471 3.688 20 0 EHADLO Cc1cccc(NC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000301802495 1026943596 /nfs/dbraw/zinc/94/35/96/1026943596.db2.gz AEUHWXGBERZIGW-UHFFFAOYSA-N 1 2 337.471 3.688 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccco1 ZINC000123063954 1026945023 /nfs/dbraw/zinc/94/50/23/1026945023.db2.gz AAAXEFNJJQKGSC-UHFFFAOYSA-N 1 2 326.318 3.548 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccco1 ZINC000123063954 1026945030 /nfs/dbraw/zinc/94/50/30/1026945030.db2.gz AAAXEFNJJQKGSC-UHFFFAOYSA-N 1 2 326.318 3.548 20 0 EHADLO COc1ccccc1C[C@@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301810060 1026947801 /nfs/dbraw/zinc/94/78/01/1026947801.db2.gz DFNASAAXOMMHDD-KRWDZBQOSA-N 1 2 338.455 3.519 20 0 EHADLO COc1ccccc1C[C@@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000301810060 1026947806 /nfs/dbraw/zinc/94/78/06/1026947806.db2.gz DFNASAAXOMMHDD-KRWDZBQOSA-N 1 2 338.455 3.519 20 0 EHADLO CC(C)c1cc(N2CCN(c3ccccc3O)CC2)nc(C(C)C)[nH+]1 ZINC000301839896 1026959474 /nfs/dbraw/zinc/95/94/74/1026959474.db2.gz ZZFCJIHFUZMPED-UHFFFAOYSA-N 1 2 340.471 3.756 20 0 EHADLO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000657525224 1026964493 /nfs/dbraw/zinc/96/44/93/1026964493.db2.gz PPRCRPDOPBBYIA-INIZCTEOSA-N 1 2 345.512 3.685 20 0 EHADLO Nc1nc(NCc2cc(Br)cs2)[nH+]c2ccccc12 ZINC000301898181 1026985543 /nfs/dbraw/zinc/98/55/43/1026985543.db2.gz WOXLMAGSZKPIQL-UHFFFAOYSA-N 1 2 335.230 3.648 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000301898229 1026985597 /nfs/dbraw/zinc/98/55/97/1026985597.db2.gz RWDXBTRTOXAVEQ-YGRLFVJLSA-N 1 2 343.381 3.828 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1cccs1)C1CC1 ZINC000301898585 1026985906 /nfs/dbraw/zinc/98/59/06/1026985906.db2.gz SGTZMHYEWNZOCI-UHFFFAOYSA-N 1 2 327.457 3.812 20 0 EHADLO Cc1csc(CCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000301902789 1026986596 /nfs/dbraw/zinc/98/65/96/1026986596.db2.gz WRSNQSGXODSLST-UHFFFAOYSA-N 1 2 344.488 3.781 20 0 EHADLO CCOc1cccc(CCNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301915444 1026991987 /nfs/dbraw/zinc/99/19/87/1026991987.db2.gz ISYKPIUZFMJDRQ-UHFFFAOYSA-N 1 2 339.443 3.635 20 0 EHADLO Cc1nc(NCc2coc(-c3cccs3)n2)c2c([nH+]1)CCCC2 ZINC000302051931 1027035520 /nfs/dbraw/zinc/03/55/20/1027035520.db2.gz OMEDVHNWCVEJFW-UHFFFAOYSA-N 1 2 326.425 3.992 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000125609561 1027099817 /nfs/dbraw/zinc/09/98/17/1027099817.db2.gz FKKGEXKNSDNZRW-UHFFFAOYSA-N 1 2 334.379 3.818 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000125609561 1027099826 /nfs/dbraw/zinc/09/98/26/1027099826.db2.gz FKKGEXKNSDNZRW-UHFFFAOYSA-N 1 2 334.379 3.818 20 0 EHADLO CC(C)(CNc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1)C(N)=O ZINC001167606336 1027106184 /nfs/dbraw/zinc/10/61/84/1027106184.db2.gz VETMVVXYZPXFSP-UHFFFAOYSA-N 1 2 342.830 3.578 20 0 EHADLO COc1ccc(COc2cccc(F)c2)cc1NCc1c[nH+]cn1C ZINC000125786412 1027124319 /nfs/dbraw/zinc/12/43/19/1027124319.db2.gz PHWHWWZUOOEQLR-UHFFFAOYSA-N 1 2 341.386 3.759 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000153155283 1027127551 /nfs/dbraw/zinc/12/75/51/1027127551.db2.gz ZNNGCBRYZYUBTP-UONOGXRCSA-N 1 2 346.500 3.553 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000342797218 1027128958 /nfs/dbraw/zinc/12/89/58/1027128958.db2.gz NQSAHCNECOTRCZ-OAHLLOKOSA-N 1 2 335.341 3.709 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000342797218 1027128963 /nfs/dbraw/zinc/12/89/63/1027128963.db2.gz NQSAHCNECOTRCZ-OAHLLOKOSA-N 1 2 335.341 3.709 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000125864797 1027133694 /nfs/dbraw/zinc/13/36/94/1027133694.db2.gz YINHWUJYMWSBFQ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000125864797 1027133697 /nfs/dbraw/zinc/13/36/97/1027133697.db2.gz YINHWUJYMWSBFQ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO CC(C)Cc1nsc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000302382701 1027134298 /nfs/dbraw/zinc/13/42/98/1027134298.db2.gz IJPHALGQYPOHAN-ZDUSSCGKSA-N 1 2 336.530 3.681 20 0 EHADLO Cc1nc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272834694 1027137761 /nfs/dbraw/zinc/13/77/61/1027137761.db2.gz HLEXXBDHJMRUHM-RZFZLAGVSA-N 1 2 343.496 3.599 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)c(C)c(C)[nH+]1 ZINC000302391549 1027138638 /nfs/dbraw/zinc/13/86/38/1027138638.db2.gz JJWBJOAQXIMQQL-INIZCTEOSA-N 1 2 335.810 3.772 20 0 EHADLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1OC ZINC000125990995 1027146070 /nfs/dbraw/zinc/14/60/70/1027146070.db2.gz WDGMZBLRQCRAJG-WBVHZDCISA-N 1 2 332.831 3.616 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1NCC1CCCCC1 ZINC000272866051 1027156297 /nfs/dbraw/zinc/15/62/97/1027156297.db2.gz JQVFIDGDQDEUHY-UHFFFAOYSA-N 1 2 326.444 3.904 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553250 1027167854 /nfs/dbraw/zinc/16/78/54/1027167854.db2.gz XNFMBVMJGQFTQZ-QMMMGPOBSA-N 1 2 330.240 3.798 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075553863 1027168419 /nfs/dbraw/zinc/16/84/19/1027168419.db2.gz PIVBEKQMASLRCG-SFHVURJKSA-N 1 2 325.456 3.701 20 0 EHADLO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553845 1027168771 /nfs/dbraw/zinc/16/87/71/1027168771.db2.gz JAOLVWYBMYIUFT-SECBINFHSA-N 1 2 342.201 3.875 20 0 EHADLO COc1cccc2c(NC[C@](C)(O)c3ccc(F)cc3F)cc[nH+]c12 ZINC000302507716 1027173180 /nfs/dbraw/zinc/17/31/80/1027173180.db2.gz FFSYTJAKQOWWRL-IBGZPJMESA-N 1 2 344.361 3.841 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CCO2)c1 ZINC000126329740 1027191751 /nfs/dbraw/zinc/19/17/51/1027191751.db2.gz TVNTZSCGRYWGQD-IBGZPJMESA-N 1 2 338.382 3.653 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CCO2)c1 ZINC000126329740 1027191760 /nfs/dbraw/zinc/19/17/60/1027191760.db2.gz TVNTZSCGRYWGQD-IBGZPJMESA-N 1 2 338.382 3.653 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000272951947 1027193798 /nfs/dbraw/zinc/19/37/98/1027193798.db2.gz KSIZLENZZOIEGR-LJQANCHMSA-N 1 2 337.471 3.763 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000272951947 1027193806 /nfs/dbraw/zinc/19/38/06/1027193806.db2.gz KSIZLENZZOIEGR-LJQANCHMSA-N 1 2 337.471 3.763 20 0 EHADLO COc1cccc2c(N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)cc[nH+]c12 ZINC000302567005 1027196048 /nfs/dbraw/zinc/19/60/48/1027196048.db2.gz WUOHYWOLWMFGII-LSDHHAIUSA-N 1 2 341.455 3.739 20 0 EHADLO CO[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[C@H]1C ZINC000302567812 1027199441 /nfs/dbraw/zinc/19/94/41/1027199441.db2.gz PHDSBXVFZPOCSZ-ABAIWWIYSA-N 1 2 335.245 3.859 20 0 EHADLO CCc1nnc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863454 1027199841 /nfs/dbraw/zinc/19/98/41/1027199841.db2.gz YREHOQWBPPLXDB-KGLIPLIRSA-N 1 2 348.878 3.725 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cs1 ZINC000075897335 1027205385 /nfs/dbraw/zinc/20/53/85/1027205385.db2.gz KQGQQEUCXZXIMG-PBHICJAKSA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cs1 ZINC000075897335 1027205399 /nfs/dbraw/zinc/20/53/99/1027205399.db2.gz KQGQQEUCXZXIMG-PBHICJAKSA-N 1 2 334.485 3.796 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000076051303 1027231863 /nfs/dbraw/zinc/23/18/63/1027231863.db2.gz XLHHBTCCBYXLOU-QWHCGFSZSA-N 1 2 332.835 3.713 20 0 EHADLO Cc1c[nH+]c(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)n1C ZINC000342806024 1027237579 /nfs/dbraw/zinc/23/75/79/1027237579.db2.gz ICUIKLUQMZRXBZ-UHFFFAOYSA-N 1 2 332.451 3.955 20 0 EHADLO Cc1cnc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1C ZINC000342806024 1027237552 /nfs/dbraw/zinc/23/75/52/1027237552.db2.gz ICUIKLUQMZRXBZ-UHFFFAOYSA-N 1 2 332.451 3.955 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1C ZINC000342806024 1027237570 /nfs/dbraw/zinc/23/75/70/1027237570.db2.gz ICUIKLUQMZRXBZ-UHFFFAOYSA-N 1 2 332.451 3.955 20 0 EHADLO COCc1noc([C@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000273037764 1027238874 /nfs/dbraw/zinc/23/88/74/1027238874.db2.gz OFMQYQXSAKTSCD-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO COCc1noc([C@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000273037764 1027238897 /nfs/dbraw/zinc/23/88/97/1027238897.db2.gz OFMQYQXSAKTSCD-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000841694330 1027246506 /nfs/dbraw/zinc/24/65/06/1027246506.db2.gz XBCLEPGCQOONJC-CABCVRRESA-N 1 2 347.532 3.981 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000841694330 1027246519 /nfs/dbraw/zinc/24/65/19/1027246519.db2.gz XBCLEPGCQOONJC-CABCVRRESA-N 1 2 347.532 3.981 20 0 EHADLO Cc1nnc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1C1CC1 ZINC000126860329 1027247944 /nfs/dbraw/zinc/24/79/44/1027247944.db2.gz GSXFDDFETMSMBA-GOSISDBHSA-N 1 2 339.487 3.852 20 0 EHADLO Cc1nnc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1C1CC1 ZINC000126860329 1027247958 /nfs/dbraw/zinc/24/79/58/1027247958.db2.gz GSXFDDFETMSMBA-GOSISDBHSA-N 1 2 339.487 3.852 20 0 EHADLO CCCn1ccc2ccc(NC(=O)NCCNc3cccc[nH+]3)cc21 ZINC000076327787 1027268905 /nfs/dbraw/zinc/26/89/05/1027268905.db2.gz CGZKGKOBCPWCQK-UHFFFAOYSA-N 1 2 337.427 3.680 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(C)s3)o2)cc1 ZINC000076342493 1027274653 /nfs/dbraw/zinc/27/46/53/1027274653.db2.gz HBWROXGZHXIRBQ-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(C)s3)o2)cc1 ZINC000076342493 1027274666 /nfs/dbraw/zinc/27/46/66/1027274666.db2.gz HBWROXGZHXIRBQ-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CCO[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1 ZINC000302797883 1027297473 /nfs/dbraw/zinc/29/74/73/1027297473.db2.gz AVRUYAQIEYNQKR-MRXNPFEDSA-N 1 2 339.443 3.771 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000582735864 1027314085 /nfs/dbraw/zinc/31/40/85/1027314085.db2.gz ONSPSEKGGPQOEK-KRWDZBQOSA-N 1 2 338.451 3.853 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@H]3C[C@@H](C)n4ncnc43)s2)cc1C ZINC000657567957 1027316084 /nfs/dbraw/zinc/31/60/84/1027316084.db2.gz AHOTVHAGXHUFLC-CJNGLKHVSA-N 1 2 339.468 3.814 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@H]3C[C@H](C)n4ncnc43)s2)cc1C ZINC000657567956 1027316505 /nfs/dbraw/zinc/31/65/05/1027316505.db2.gz AHOTVHAGXHUFLC-BBRMVZONSA-N 1 2 339.468 3.814 20 0 EHADLO Clc1cc(Cl)c2c(c1)CN(c1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000302845124 1027323557 /nfs/dbraw/zinc/32/35/57/1027323557.db2.gz NSNXNCBYIOJTQY-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO Clc1cc(Cl)c2c(c1)CN(c1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000302845124 1027323578 /nfs/dbraw/zinc/32/35/78/1027323578.db2.gz NSNXNCBYIOJTQY-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000302881138 1027342710 /nfs/dbraw/zinc/34/27/10/1027342710.db2.gz HUGBGDHOZIKXRZ-CYBMUJFWSA-N 1 2 348.903 3.881 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000302881138 1027342727 /nfs/dbraw/zinc/34/27/27/1027342727.db2.gz HUGBGDHOZIKXRZ-CYBMUJFWSA-N 1 2 348.903 3.881 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000076730173 1027347445 /nfs/dbraw/zinc/34/74/45/1027347445.db2.gz MDQUMOKVOISPKZ-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000076730173 1027347466 /nfs/dbraw/zinc/34/74/66/1027347466.db2.gz MDQUMOKVOISPKZ-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO C[C@H]1CC(C)(C)CN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000665722990 1027347678 /nfs/dbraw/zinc/34/76/78/1027347678.db2.gz IFJCIVOSZRWGJS-DOTOQJQBSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)C[C@H]3C)cn2c1 ZINC000077027968 1027379158 /nfs/dbraw/zinc/37/91/58/1027379158.db2.gz DSAZBITUWIOVMZ-UKRRQHHQSA-N 1 2 331.485 3.523 20 0 EHADLO c1cn(CCCSc2nnc(NCc3ccccc3)s2)c[nH+]1 ZINC000273367787 1027398966 /nfs/dbraw/zinc/39/89/66/1027398966.db2.gz GKEWYYVJYZDCIU-UHFFFAOYSA-N 1 2 331.470 3.529 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3nc(C4CCC4)no3)CC2)n1 ZINC000639748609 1027413868 /nfs/dbraw/zinc/41/38/68/1027413868.db2.gz JBXSJMZNODQJJH-UHFFFAOYSA-N 1 2 346.500 3.811 20 0 EHADLO Brc1ccc2c(c1)C[N@@H+](Cc1cnn3ccccc13)CC2 ZINC000342819909 1027415186 /nfs/dbraw/zinc/41/51/86/1027415186.db2.gz FFFBJBVNRVXWHQ-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Brc1ccc2c(c1)C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000342819909 1027415194 /nfs/dbraw/zinc/41/51/94/1027415194.db2.gz FFFBJBVNRVXWHQ-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000128393926 1027429441 /nfs/dbraw/zinc/42/94/41/1027429441.db2.gz LWOWRZSSQKFBKE-UHFFFAOYSA-N 1 2 346.519 3.764 20 0 EHADLO Clc1ccc(C[NH2+]Cc2cn3cc(Br)ccc3n2)o1 ZINC000077590354 1027434905 /nfs/dbraw/zinc/43/49/05/1027434905.db2.gz XSSLRDBULYYSKR-UHFFFAOYSA-N 1 2 340.608 3.633 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)nc(C2CC2)[nH+]1 ZINC000664299985 1027441911 /nfs/dbraw/zinc/44/19/11/1027441911.db2.gz AUWZTHKASPEDQB-LBPRGKRZSA-N 1 2 349.360 3.813 20 0 EHADLO CC(C)c1cc(N[C@H]2CS(=O)(=O)c3ccccc32)nc(C(C)C)[nH+]1 ZINC000273480194 1027449213 /nfs/dbraw/zinc/44/92/13/1027449213.db2.gz MJNNQKNHENXDCF-HNNXBMFYSA-N 1 2 345.468 3.664 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000531834762 1027496017 /nfs/dbraw/zinc/49/60/17/1027496017.db2.gz RRBJJTPLFDGJIU-CQSZACIVSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000531834762 1027496026 /nfs/dbraw/zinc/49/60/26/1027496026.db2.gz RRBJJTPLFDGJIU-CQSZACIVSA-N 1 2 330.241 3.835 20 0 EHADLO O=C(c1scnc1C1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273579969 1027501968 /nfs/dbraw/zinc/50/19/68/1027501968.db2.gz HIHXTXGZLVTNDN-CYBMUJFWSA-N 1 2 330.457 3.544 20 0 EHADLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccncc1 ZINC000453187859 1027510993 /nfs/dbraw/zinc/51/09/93/1027510993.db2.gz DIPUVMKSPCAUOY-DAYGRLMNSA-N 1 2 326.444 3.653 20 0 EHADLO CCCc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)co1 ZINC000273599077 1027512329 /nfs/dbraw/zinc/51/23/29/1027512329.db2.gz OKOWQWCHXNXBII-LBPRGKRZSA-N 1 2 348.472 3.568 20 0 EHADLO CCCc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)co1 ZINC000273599077 1027512342 /nfs/dbraw/zinc/51/23/42/1027512342.db2.gz OKOWQWCHXNXBII-LBPRGKRZSA-N 1 2 348.472 3.568 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H]2CCc3ccccc32)c2nccn2C)cc1 ZINC000129055575 1027516292 /nfs/dbraw/zinc/51/62/92/1027516292.db2.gz XTBJVAKASXZEAZ-VQTJNVASSA-N 1 2 333.435 3.795 20 0 EHADLO CO[C@@H](CC(C)C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000420483638 1027548831 /nfs/dbraw/zinc/54/88/31/1027548831.db2.gz VTTOIIPESHJECD-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(CCCc3ccccc3Cl)no2)C1 ZINC000420485319 1027553135 /nfs/dbraw/zinc/55/31/35/1027553135.db2.gz HJDIXVIICPONKD-MRXNPFEDSA-N 1 2 349.862 3.680 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(CCCc3ccccc3Cl)no2)C1 ZINC000420485319 1027553153 /nfs/dbraw/zinc/55/31/53/1027553153.db2.gz HJDIXVIICPONKD-MRXNPFEDSA-N 1 2 349.862 3.680 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000342840579 1027579939 /nfs/dbraw/zinc/57/99/39/1027579939.db2.gz RWMWALFVFUQZEO-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000342840579 1027579955 /nfs/dbraw/zinc/57/99/55/1027579955.db2.gz RWMWALFVFUQZEO-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000342856286 1027679373 /nfs/dbraw/zinc/67/93/73/1027679373.db2.gz DLDGKPMVVGQKAZ-UHFFFAOYSA-N 1 2 348.874 3.719 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000342856286 1027679379 /nfs/dbraw/zinc/67/93/79/1027679379.db2.gz DLDGKPMVVGQKAZ-UHFFFAOYSA-N 1 2 348.874 3.719 20 0 EHADLO Cn1nc(Br)cc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000785412197 1027684086 /nfs/dbraw/zinc/68/40/86/1027684086.db2.gz CKGLENJJLWPAIY-MRXNPFEDSA-N 1 2 346.228 3.655 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(-c2ccccc2Cl)n1 ZINC000414469135 1027707341 /nfs/dbraw/zinc/70/73/41/1027707341.db2.gz FCVDTRQDMVKOGI-GOSISDBHSA-N 1 2 345.874 3.741 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(-c2ccccc2Cl)n1 ZINC000414469135 1027707358 /nfs/dbraw/zinc/70/73/58/1027707358.db2.gz FCVDTRQDMVKOGI-GOSISDBHSA-N 1 2 345.874 3.741 20 0 EHADLO COc1cccc(OC)c1-c1ccccc1NCc1cc[nH+]c(N)c1 ZINC001167618028 1027744936 /nfs/dbraw/zinc/74/49/36/1027744936.db2.gz CKFDQNYXBXQPKU-UHFFFAOYSA-N 1 2 335.407 3.960 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc(C)[nH+]1 ZINC000420840756 1027782826 /nfs/dbraw/zinc/78/28/26/1027782826.db2.gz BHXKQVHNNRJWKP-PXNSSMCTSA-N 1 2 337.467 3.861 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccc(C(C)(F)F)cc2)cc(C)[nH+]1 ZINC000420844788 1027786660 /nfs/dbraw/zinc/78/66/60/1027786660.db2.gz PCEWLDCDMJZSSQ-UHFFFAOYSA-N 1 2 333.382 3.810 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc(C)[nH+]1 ZINC000420847973 1027790032 /nfs/dbraw/zinc/79/00/32/1027790032.db2.gz LKLTVZAFQSIRJJ-GXTWGEPZSA-N 1 2 329.366 3.571 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000533392747 1027797497 /nfs/dbraw/zinc/79/74/97/1027797497.db2.gz IRBWATAQFWJGDX-FQEVSTJZSA-N 1 2 337.419 3.699 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000533392747 1027797508 /nfs/dbraw/zinc/79/75/08/1027797508.db2.gz IRBWATAQFWJGDX-FQEVSTJZSA-N 1 2 337.419 3.699 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420857781 1027802258 /nfs/dbraw/zinc/80/22/58/1027802258.db2.gz FBGZPPZLCDPNLR-DLBZAZTESA-N 1 2 329.831 3.707 20 0 EHADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872912 1027802761 /nfs/dbraw/zinc/80/27/61/1027802761.db2.gz IYWYQLBKSRJETJ-STQMWFEESA-N 1 2 326.843 3.700 20 0 EHADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872912 1027802780 /nfs/dbraw/zinc/80/27/80/1027802780.db2.gz IYWYQLBKSRJETJ-STQMWFEESA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1ccn(CC)n1 ZINC000414476795 1027829888 /nfs/dbraw/zinc/82/98/88/1027829888.db2.gz BCZUAYVCUNBKFL-HNNXBMFYSA-N 1 2 332.467 3.814 20 0 EHADLO Nc1cc(CSc2nnc(NCc3ccc(F)cc3)s2)cc[nH+]1 ZINC000193078889 1027833940 /nfs/dbraw/zinc/83/39/40/1027833940.db2.gz LOWOGJYNZSLGFV-UHFFFAOYSA-N 1 2 347.444 3.559 20 0 EHADLO Cc1nc(C)c(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000342879594 1027853721 /nfs/dbraw/zinc/85/37/21/1027853721.db2.gz DHSIIXITBFXMPI-CQSZACIVSA-N 1 2 326.425 3.644 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cnccc2N)cc1OC1CCCC1 ZINC000422710403 1027867886 /nfs/dbraw/zinc/86/78/86/1027867886.db2.gz LEAAHGDZUVUTDY-AWEZNQCLSA-N 1 2 341.455 3.675 20 0 EHADLO CCCOc1cccc2c(N3CCC(O)(C(F)F)CC3)cc[nH+]c12 ZINC000503561957 1027873481 /nfs/dbraw/zinc/87/34/81/1027873481.db2.gz HIVHQKMGMPDRHN-UHFFFAOYSA-N 1 2 336.382 3.620 20 0 EHADLO CC(NC(=O)[C@H]1CCn2cc[nH+]c2C1)(c1ccccc1)c1ccccc1 ZINC000132119073 1027878519 /nfs/dbraw/zinc/87/85/19/1027878519.db2.gz KJNKGCJVPHLDLL-KRWDZBQOSA-N 1 2 345.446 3.525 20 0 EHADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420915620 1027900673 /nfs/dbraw/zinc/90/06/73/1027900673.db2.gz FEPKEBNMJMIWRP-AWEZNQCLSA-N 1 2 337.872 3.502 20 0 EHADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420915620 1027900687 /nfs/dbraw/zinc/90/06/87/1027900687.db2.gz FEPKEBNMJMIWRP-AWEZNQCLSA-N 1 2 337.872 3.502 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000657662267 1027902706 /nfs/dbraw/zinc/90/27/06/1027902706.db2.gz YVDNVOWHKRKCOF-UHFFFAOYSA-N 1 2 330.482 3.772 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000132384498 1027915374 /nfs/dbraw/zinc/91/53/74/1027915374.db2.gz LKWRQROXOIYXQX-GOSISDBHSA-N 1 2 328.460 3.732 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000132384498 1027915397 /nfs/dbraw/zinc/91/53/97/1027915397.db2.gz LKWRQROXOIYXQX-GOSISDBHSA-N 1 2 328.460 3.732 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@@H]1CC ZINC000455249769 1027916747 /nfs/dbraw/zinc/91/67/47/1027916747.db2.gz IESYINYQTXEGMO-DLBZAZTESA-N 1 2 334.508 3.693 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCS[C@@H](C(C)C)C2)o1 ZINC000132403073 1027921184 /nfs/dbraw/zinc/92/11/84/1027921184.db2.gz IDDKWIVFSMEIEV-MRXNPFEDSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCS[C@@H](C(C)C)C2)o1 ZINC000132403073 1027921201 /nfs/dbraw/zinc/92/12/01/1027921201.db2.gz IDDKWIVFSMEIEV-MRXNPFEDSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000503588615 1027930195 /nfs/dbraw/zinc/93/01/95/1027930195.db2.gz KOYGIWAXMJJGLE-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000503588615 1027930212 /nfs/dbraw/zinc/93/02/12/1027930212.db2.gz KOYGIWAXMJJGLE-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO CCCOc1cccc2c(N[C@H](CCO)C3CCOCC3)cc[nH+]c12 ZINC000503603257 1027946799 /nfs/dbraw/zinc/94/67/99/1027946799.db2.gz RFTCVIHSMSKSDQ-QGZVFWFLSA-N 1 2 344.455 3.613 20 0 EHADLO COc1c(C)c[nH+]c(CNC2(c3noc(C)n3)CCCCCC2)c1C ZINC000533492883 1027954476 /nfs/dbraw/zinc/95/44/76/1027954476.db2.gz DEYYYDSKNNKJAN-UHFFFAOYSA-N 1 2 344.459 3.738 20 0 EHADLO Brc1c[nH]nc1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000533497022 1027959969 /nfs/dbraw/zinc/95/99/69/1027959969.db2.gz CIJBYIDDELEWIJ-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO COc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)c(OC)cc1Cl ZINC000454254314 1027962073 /nfs/dbraw/zinc/96/20/73/1027962073.db2.gz GHTIRVBWRLODKT-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010055 1027963255 /nfs/dbraw/zinc/96/32/55/1027963255.db2.gz ITZTVLJWRMRJLQ-MGPQQGTHSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010055 1027963267 /nfs/dbraw/zinc/96/32/67/1027963267.db2.gz ITZTVLJWRMRJLQ-MGPQQGTHSA-N 1 2 337.464 3.554 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)CCCc3cccnc3)ccc2[nH+]1 ZINC000459365188 1027995613 /nfs/dbraw/zinc/99/56/13/1027995613.db2.gz BEGWVKJTWRNNJC-CQSZACIVSA-N 1 2 337.427 3.571 20 0 EHADLO Oc1c(F)cc(Nc2cc(Br)c3[nH+]ccn3c2)cc1F ZINC001213374947 1028002521 /nfs/dbraw/zinc/00/25/21/1028002521.db2.gz HGEMNLYCKAEUDS-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO CC[C@@H](C)[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434139001 1028003121 /nfs/dbraw/zinc/00/31/21/1028003121.db2.gz UBTYZIBZCHNMLY-HUUCEWRRSA-N 1 2 332.492 3.543 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1C ZINC000078596829 1028010185 /nfs/dbraw/zinc/01/01/85/1028010185.db2.gz BTPKBEIJPMCPNV-AWEZNQCLSA-N 1 2 346.496 3.615 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1C ZINC000078596829 1028010202 /nfs/dbraw/zinc/01/02/02/1028010202.db2.gz BTPKBEIJPMCPNV-AWEZNQCLSA-N 1 2 346.496 3.615 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444510751 1028016941 /nfs/dbraw/zinc/01/69/41/1028016941.db2.gz PVMMVYKTGJJXIG-XLIONFOSSA-N 1 2 343.430 3.624 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378329 1028024725 /nfs/dbraw/zinc/02/47/25/1028024725.db2.gz JHMWSRLPRKEJBH-AGIUHOORSA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378329 1028024739 /nfs/dbraw/zinc/02/47/39/1028024739.db2.gz JHMWSRLPRKEJBH-AGIUHOORSA-N 1 2 327.494 3.519 20 0 EHADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000582857021 1028033155 /nfs/dbraw/zinc/03/31/55/1028033155.db2.gz WRHDIHVGIDMWHU-GFCCVEGCSA-N 1 2 347.311 3.792 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cs1 ZINC000051560395 1028034067 /nfs/dbraw/zinc/03/40/67/1028034067.db2.gz BSFRRQTYCAHMPP-UHFFFAOYSA-N 1 2 349.544 3.665 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342916463 1028099501 /nfs/dbraw/zinc/09/95/01/1028099501.db2.gz JVYLIOCPVDEANR-SCLBCKFNSA-N 1 2 346.862 3.918 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342916463 1028099519 /nfs/dbraw/zinc/09/95/19/1028099519.db2.gz JVYLIOCPVDEANR-SCLBCKFNSA-N 1 2 346.862 3.918 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503729001 1028104082 /nfs/dbraw/zinc/10/40/82/1028104082.db2.gz PVSVPSZBIYDIKL-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503729001 1028104111 /nfs/dbraw/zinc/10/41/11/1028104111.db2.gz PVSVPSZBIYDIKL-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO CC(C)C1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000548778271 1028133849 /nfs/dbraw/zinc/13/38/49/1028133849.db2.gz OWLPRSPKQFTMJT-UHFFFAOYSA-N 1 2 341.459 3.663 20 0 EHADLO COCCCOCC[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444687252 1028135003 /nfs/dbraw/zinc/13/50/03/1028135003.db2.gz GAXGWFWSXXHICP-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO COCCCOCC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444687252 1028135013 /nfs/dbraw/zinc/13/50/13/1028135013.db2.gz GAXGWFWSXXHICP-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO c1cnc2ccc(OCc3cccc(C[NH+]4CCOCC4)c3)cc2c1 ZINC000421184117 1028160317 /nfs/dbraw/zinc/16/03/17/1028160317.db2.gz PANNYKUTSWZQPQ-UHFFFAOYSA-N 1 2 334.419 3.646 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695058 1028170802 /nfs/dbraw/zinc/17/08/02/1028170802.db2.gz RJNHAFXAKXYYEI-CQSZACIVSA-N 1 2 344.405 3.765 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695058 1028170805 /nfs/dbraw/zinc/17/08/05/1028170805.db2.gz RJNHAFXAKXYYEI-CQSZACIVSA-N 1 2 344.405 3.765 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000135204785 1028177708 /nfs/dbraw/zinc/17/77/08/1028177708.db2.gz YDFKJVAYZDFURU-KRWDZBQOSA-N 1 2 349.409 3.716 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444705387 1028183290 /nfs/dbraw/zinc/18/32/90/1028183290.db2.gz AXRXDOHNTKWSJE-FQEVSTJZSA-N 1 2 344.405 3.664 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444705387 1028183299 /nfs/dbraw/zinc/18/32/99/1028183299.db2.gz AXRXDOHNTKWSJE-FQEVSTJZSA-N 1 2 344.405 3.664 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000153558559 1028186499 /nfs/dbraw/zinc/18/64/99/1028186499.db2.gz CYSZFULXKZGFJG-DZGCQCFKSA-N 1 2 345.830 3.659 20 0 EHADLO COc1ccc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1F ZINC000455466815 1028197656 /nfs/dbraw/zinc/19/76/56/1028197656.db2.gz FZIHMCQOWAYNAA-UHFFFAOYSA-N 1 2 331.391 3.519 20 0 EHADLO COc1cc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C ZINC000054224433 1028223145 /nfs/dbraw/zinc/22/31/45/1028223145.db2.gz VXCYUOQNHMWLLD-UHFFFAOYSA-N 1 2 339.370 3.510 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000455494089 1028227642 /nfs/dbraw/zinc/22/76/42/1028227642.db2.gz MQNFDESZNNKMGB-MJGOQNOKSA-N 1 2 339.439 3.906 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000353167691 1028241967 /nfs/dbraw/zinc/24/19/67/1028241967.db2.gz ZJCFRROXEVOKPU-QGZVFWFLSA-N 1 2 333.863 3.597 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000353167691 1028241976 /nfs/dbraw/zinc/24/19/76/1028241976.db2.gz ZJCFRROXEVOKPU-QGZVFWFLSA-N 1 2 333.863 3.597 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000277969817 1028244273 /nfs/dbraw/zinc/24/42/73/1028244273.db2.gz GPWULLCZLLRQNN-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000277969817 1028244292 /nfs/dbraw/zinc/24/42/92/1028244292.db2.gz GPWULLCZLLRQNN-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2COc3c2ccc(C)c3C)c(C)[nH+]1 ZINC000455483755 1028250199 /nfs/dbraw/zinc/25/01/99/1028250199.db2.gz QGCQWRNSLZTPGY-MRXNPFEDSA-N 1 2 325.412 3.879 20 0 EHADLO CC(C)(C)C1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000454274201 1028252705 /nfs/dbraw/zinc/25/27/05/1028252705.db2.gz QUUHRFAQRMZNLA-UHFFFAOYSA-N 1 2 336.505 3.639 20 0 EHADLO CCc1ccc([C@H](NC(=O)NCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000054973606 1028255231 /nfs/dbraw/zinc/25/52/31/1028255231.db2.gz PNDJRZQDPABSAJ-GOSISDBHSA-N 1 2 328.460 3.532 20 0 EHADLO Cn1c(C[N@H+](C)Cc2cccc(OC(F)F)c2)nc2ccccc21 ZINC000195109105 1028258881 /nfs/dbraw/zinc/25/88/81/1028258881.db2.gz GVVPRRXIDGJKNO-UHFFFAOYSA-N 1 2 331.366 3.807 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2cccc(OC(F)F)c2)nc2ccccc21 ZINC000195109105 1028258895 /nfs/dbraw/zinc/25/88/95/1028258895.db2.gz GVVPRRXIDGJKNO-UHFFFAOYSA-N 1 2 331.366 3.807 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000503963629 1028272618 /nfs/dbraw/zinc/27/26/18/1028272618.db2.gz PHALSJHFZJPKPS-ZDUSSCGKSA-N 1 2 342.405 3.957 20 0 EHADLO CC[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022471634 1028305335 /nfs/dbraw/zinc/30/53/35/1028305335.db2.gz FCCRDXNENNTUNK-CYBMUJFWSA-N 1 2 329.469 3.686 20 0 EHADLO CC[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022471634 1028305350 /nfs/dbraw/zinc/30/53/50/1028305350.db2.gz FCCRDXNENNTUNK-CYBMUJFWSA-N 1 2 329.469 3.686 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)s1 ZINC000195673991 1028307141 /nfs/dbraw/zinc/30/71/41/1028307141.db2.gz GEACQMTWUCMTDY-UHFFFAOYSA-N 1 2 348.899 3.976 20 0 EHADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000455540329 1028319765 /nfs/dbraw/zinc/31/97/65/1028319765.db2.gz FRVRWMGSOFMDEL-CQSZACIVSA-N 1 2 346.500 3.928 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1nc(C2CC2)cs1 ZINC000056571412 1028333274 /nfs/dbraw/zinc/33/32/74/1028333274.db2.gz OFSXFZDSZBYGBI-UHFFFAOYSA-N 1 2 339.424 3.528 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C(F)(F)F)s2)nn1 ZINC000421404455 1028353590 /nfs/dbraw/zinc/35/35/90/1028353590.db2.gz PTHAOBIPVDVMOR-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1cccc(C)n1 ZINC000459375911 1028354543 /nfs/dbraw/zinc/35/45/43/1028354543.db2.gz MYEMQPYDQUFHRJ-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1cccc(C)n1 ZINC000459375911 1028354560 /nfs/dbraw/zinc/35/45/60/1028354560.db2.gz MYEMQPYDQUFHRJ-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N1CCC(C)CC1 ZINC000067133040 1028355931 /nfs/dbraw/zinc/35/59/31/1028355931.db2.gz SFOBUFFXKJYTCF-LPHOPBHVSA-N 1 2 326.440 3.606 20 0 EHADLO Clc1scc(CNc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC000432256847 1028385498 /nfs/dbraw/zinc/38/54/98/1028385498.db2.gz UXONXVDUHYIEEU-UHFFFAOYSA-N 1 2 344.267 3.899 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2c(F)cccc2F)c[nH+]1 ZINC000455551796 1028394956 /nfs/dbraw/zinc/39/49/56/1028394956.db2.gz FXAKSNZYSAWKDN-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCc2c[nH]c3ccccc23)c[nH+]1 ZINC000455559795 1028453535 /nfs/dbraw/zinc/45/35/35/1028453535.db2.gz OQHXBVRQTJLCJF-UHFFFAOYSA-N 1 2 336.439 3.612 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000193831976 1028470728 /nfs/dbraw/zinc/47/07/28/1028470728.db2.gz JVLWQKGVAGVZGB-UHFFFAOYSA-N 1 2 331.419 3.609 20 0 EHADLO c1ccc(C([NH2+]Cc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000194018310 1028483800 /nfs/dbraw/zinc/48/38/00/1028483800.db2.gz PTSBXYGTXYMVGM-UHFFFAOYSA-N 1 2 332.451 3.884 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000072600042 1028509622 /nfs/dbraw/zinc/50/96/22/1028509622.db2.gz FSAUWXNHSOYTEB-LJQANCHMSA-N 1 2 348.450 3.541 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000072600042 1028509638 /nfs/dbraw/zinc/50/96/38/1028509638.db2.gz FSAUWXNHSOYTEB-LJQANCHMSA-N 1 2 348.450 3.541 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2cccc(Cl)c2)no1)c1ccccc1 ZINC000504275100 1028531336 /nfs/dbraw/zinc/53/13/36/1028531336.db2.gz QKGWUSZZTCDHMH-QGZVFWFLSA-N 1 2 327.815 3.965 20 0 EHADLO Cc1cc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc(C)[nH+]1 ZINC000421555708 1028553432 /nfs/dbraw/zinc/55/34/32/1028553432.db2.gz IKXHJNHPYRJWTI-UHFFFAOYSA-N 1 2 334.419 3.792 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000421556961 1028555835 /nfs/dbraw/zinc/55/58/35/1028555835.db2.gz MJSPLXITAOYCGO-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO c1c[nH]c([C@@H]([NH2+]CCOc2cccc3ccccc32)c2cccnc2)n1 ZINC000195007028 1028570685 /nfs/dbraw/zinc/57/06/85/1028570685.db2.gz SATWNSOBPXWXNO-FQEVSTJZSA-N 1 2 344.418 3.716 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000532718787 1028572900 /nfs/dbraw/zinc/57/29/00/1028572900.db2.gz OLIWGPXFXSMTAJ-OAHLLOKOSA-N 1 2 341.377 3.679 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000532718787 1028572919 /nfs/dbraw/zinc/57/29/19/1028572919.db2.gz OLIWGPXFXSMTAJ-OAHLLOKOSA-N 1 2 341.377 3.679 20 0 EHADLO CO[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1cccc(Cl)c1 ZINC000195074294 1028574947 /nfs/dbraw/zinc/57/49/47/1028574947.db2.gz UMUQYUPTHOEDNO-IAGOWNOFSA-N 1 2 342.830 3.525 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1cccc(Cl)c1 ZINC000195073707 1028575772 /nfs/dbraw/zinc/57/57/72/1028575772.db2.gz FSQYSMYRHBFYNS-GUYCJALGSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523776969 1028614498 /nfs/dbraw/zinc/61/44/98/1028614498.db2.gz YHNYSISWRFZFOE-HXUWFJFHSA-N 1 2 346.434 3.667 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccncc1 ZINC000502750667 1028633796 /nfs/dbraw/zinc/63/37/96/1028633796.db2.gz PISYGHZJODPEHX-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccncc1 ZINC000502750667 1028633807 /nfs/dbraw/zinc/63/38/07/1028633807.db2.gz PISYGHZJODPEHX-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC1CCN(C(=O)C[NH+]2Cc3ccccc3-c3ccccc3C2)CC1 ZINC000523893953 1028690442 /nfs/dbraw/zinc/69/04/42/1028690442.db2.gz GJDBCVGPRWIFTH-UHFFFAOYSA-N 1 2 334.463 3.928 20 0 EHADLO C[C@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000246804885 1028694398 /nfs/dbraw/zinc/69/43/98/1028694398.db2.gz DYPVKVGKFGUDRP-MNZLEMJZSA-N 1 2 340.471 3.555 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000245411377 1028705336 /nfs/dbraw/zinc/70/53/36/1028705336.db2.gz WPHSFOIMMLEDJI-PBFPGSCMSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000245411377 1028705351 /nfs/dbraw/zinc/70/53/51/1028705351.db2.gz WPHSFOIMMLEDJI-PBFPGSCMSA-N 1 2 333.407 3.889 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000245464429 1028717043 /nfs/dbraw/zinc/71/70/43/1028717043.db2.gz HVVJQESEKNWKSS-DYVFJYSZSA-N 1 2 327.428 3.819 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000245464429 1028717060 /nfs/dbraw/zinc/71/70/60/1028717060.db2.gz HVVJQESEKNWKSS-DYVFJYSZSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1cnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000278063156 1028748237 /nfs/dbraw/zinc/74/82/37/1028748237.db2.gz FNKZLTIREPPXDQ-UHFFFAOYSA-N 1 2 340.345 3.797 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000245508378 1028751217 /nfs/dbraw/zinc/75/12/17/1028751217.db2.gz JCHQXNNHJBKKCZ-QAQDUYKDSA-N 1 2 329.488 3.629 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000421748364 1028751304 /nfs/dbraw/zinc/75/13/04/1028751304.db2.gz LRHYHGDHMCVTLY-UHFFFAOYSA-N 1 2 332.473 3.662 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCc1cccs1 ZINC000245512547 1028755154 /nfs/dbraw/zinc/75/51/54/1028755154.db2.gz AHAYYHXWLISQQF-GJZGRUSLSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCc1cccs1 ZINC000245512547 1028755174 /nfs/dbraw/zinc/75/51/74/1028755174.db2.gz AHAYYHXWLISQQF-GJZGRUSLSA-N 1 2 347.480 3.945 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC[C@@H]1c1ccccc1 ZINC000569620768 1028768844 /nfs/dbraw/zinc/76/88/44/1028768844.db2.gz FMWBRZGHPRFXON-FCEWJHQRSA-N 1 2 325.456 3.631 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC[C@@H]1c1ccccc1 ZINC000569620768 1028768852 /nfs/dbraw/zinc/76/88/52/1028768852.db2.gz FMWBRZGHPRFXON-FCEWJHQRSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278071938 1028772480 /nfs/dbraw/zinc/77/24/80/1028772480.db2.gz VYXMXJQUKRKMQP-DOTOQJQBSA-N 1 2 349.434 3.736 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3ccc4ccccc4c3)[nH+]c12 ZINC000524012401 1028779080 /nfs/dbraw/zinc/77/90/80/1028779080.db2.gz VJPKLNIFJYCOBA-UHFFFAOYSA-N 1 2 343.430 3.697 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247373742 1028786256 /nfs/dbraw/zinc/78/62/56/1028786256.db2.gz HUCVTLQMENHASH-NJAFHUGGSA-N 1 2 343.496 3.864 20 0 EHADLO Cn1ccc2c1cccc2C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000524031323 1028794937 /nfs/dbraw/zinc/79/49/37/1028794937.db2.gz YDLITROUJKRIIH-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502887723 1028802807 /nfs/dbraw/zinc/80/28/07/1028802807.db2.gz NIPVPXGMHKMHTM-AWEZNQCLSA-N 1 2 344.405 3.967 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502887723 1028802825 /nfs/dbraw/zinc/80/28/25/1028802825.db2.gz NIPVPXGMHKMHTM-AWEZNQCLSA-N 1 2 344.405 3.967 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 ZINC000247595629 1028804433 /nfs/dbraw/zinc/80/44/33/1028804433.db2.gz SGVUHBDXVAUXJJ-FRRDWIJNSA-N 1 2 349.475 3.761 20 0 EHADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000637869744 1028809862 /nfs/dbraw/zinc/80/98/62/1028809862.db2.gz XWAKRVJBXCBJRH-ZDUSSCGKSA-N 1 2 340.290 3.827 20 0 EHADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000637869744 1028809880 /nfs/dbraw/zinc/80/98/80/1028809880.db2.gz XWAKRVJBXCBJRH-ZDUSSCGKSA-N 1 2 340.290 3.827 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245553742 1028825364 /nfs/dbraw/zinc/82/53/64/1028825364.db2.gz RQRLPQIIPGVIBM-GXTWGEPZSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245553742 1028825370 /nfs/dbraw/zinc/82/53/70/1028825370.db2.gz RQRLPQIIPGVIBM-GXTWGEPZSA-N 1 2 337.427 3.764 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC(C)(C)c2ccccc2F)c[nH+]1 ZINC000454419825 1028901796 /nfs/dbraw/zinc/90/17/96/1028901796.db2.gz HMZSVUOJZVVXFN-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000504797363 1028906468 /nfs/dbraw/zinc/90/64/68/1028906468.db2.gz QEQKRMABKYZTGM-IEBWSBKVSA-N 1 2 337.467 3.511 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1cnn(C)c1 ZINC000153990456 1028956245 /nfs/dbraw/zinc/95/62/45/1028956245.db2.gz WQIGWIDVBJJEBO-MGPUTAFESA-N 1 2 345.450 3.747 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000248885606 1028959517 /nfs/dbraw/zinc/95/95/17/1028959517.db2.gz QRSRKZRNIDTPEX-FOIQADDNSA-N 1 2 345.450 3.717 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000248885606 1028959527 /nfs/dbraw/zinc/95/95/27/1028959527.db2.gz QRSRKZRNIDTPEX-FOIQADDNSA-N 1 2 345.450 3.717 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)n1 ZINC000424312557 1028959888 /nfs/dbraw/zinc/95/98/88/1028959888.db2.gz WUENGDVVQKIDAQ-LJQANCHMSA-N 1 2 327.428 3.515 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(Cl)c1 ZINC000424319215 1028965565 /nfs/dbraw/zinc/96/55/65/1028965565.db2.gz SCFVTSGUMOAZJP-NWDGAFQWSA-N 1 2 334.851 3.688 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cnc3ccsc3c2)s1 ZINC000424319135 1028966061 /nfs/dbraw/zinc/96/60/61/1028966061.db2.gz DWYRNZUTBKDTKA-ZJUUUORDSA-N 1 2 347.465 3.951 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000504857012 1028983940 /nfs/dbraw/zinc/98/39/40/1028983940.db2.gz KRPFYTIPIIDVJJ-OXQOHEQNSA-N 1 2 345.446 3.624 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cccc4nccn43)C2)c1 ZINC000503028058 1028987042 /nfs/dbraw/zinc/98/70/42/1028987042.db2.gz AKZNSIVHBPFELK-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cccc4nccn43)C2)c1 ZINC000503028058 1028987057 /nfs/dbraw/zinc/98/70/57/1028987057.db2.gz AKZNSIVHBPFELK-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000249687422 1029014155 /nfs/dbraw/zinc/01/41/55/1029014155.db2.gz RJZNAPJEIXLNGC-DOMZBBRYSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000249687422 1029014173 /nfs/dbraw/zinc/01/41/73/1029014173.db2.gz RJZNAPJEIXLNGC-DOMZBBRYSA-N 1 2 349.525 3.697 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)CCCC2)c1ccccc1 ZINC000422047127 1029031947 /nfs/dbraw/zinc/03/19/47/1029031947.db2.gz UOJBVXSMWJTOMR-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000249981252 1029033480 /nfs/dbraw/zinc/03/34/80/1029033480.db2.gz LJAHETWWIAGPLI-XVGQJIODSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000249981252 1029033492 /nfs/dbraw/zinc/03/34/92/1029033492.db2.gz LJAHETWWIAGPLI-XVGQJIODSA-N 1 2 334.410 3.573 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000454554648 1029038070 /nfs/dbraw/zinc/03/80/70/1029038070.db2.gz RWGYQKLTLXLNOS-CJNGLKHVSA-N 1 2 347.821 3.846 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000454554651 1029038145 /nfs/dbraw/zinc/03/81/45/1029038145.db2.gz RWGYQKLTLXLNOS-CZUORRHYSA-N 1 2 347.821 3.846 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000760283488 1029053123 /nfs/dbraw/zinc/05/31/23/1029053123.db2.gz CDLZCVCDUVDMHW-SFHVURJKSA-N 1 2 330.501 3.754 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000760283488 1029053143 /nfs/dbraw/zinc/05/31/43/1029053143.db2.gz CDLZCVCDUVDMHW-SFHVURJKSA-N 1 2 330.501 3.754 20 0 EHADLO C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123865557 1029055102 /nfs/dbraw/zinc/05/51/02/1029055102.db2.gz FURBUGYAOBNQOQ-JKSUJKDBSA-N 1 2 327.428 3.727 20 0 EHADLO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]Cc1ncccn1 ZINC000657736823 1029058470 /nfs/dbraw/zinc/05/84/70/1029058470.db2.gz NVROEOCKIZREST-UHFFFAOYSA-N 1 2 333.439 3.745 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1 ZINC000524310012 1029069060 /nfs/dbraw/zinc/06/90/60/1029069060.db2.gz RAAIDXVDLYZVTG-UHFFFAOYSA-N 1 2 346.496 3.832 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1 ZINC000524310012 1029069076 /nfs/dbraw/zinc/06/90/76/1029069076.db2.gz RAAIDXVDLYZVTG-UHFFFAOYSA-N 1 2 346.496 3.832 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)C(C)(C)c2ccccc2)cc(C)[nH+]1 ZINC000422158249 1029117193 /nfs/dbraw/zinc/11/71/93/1029117193.db2.gz PUCKTIPDGVLGGJ-MRXNPFEDSA-N 1 2 325.456 3.864 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000445800003 1029138453 /nfs/dbraw/zinc/13/84/53/1029138453.db2.gz RSBUDQBMRVZQCO-NRFANRHFSA-N 1 2 333.435 3.505 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)c(Br)c1 ZINC000532974220 1029152409 /nfs/dbraw/zinc/15/24/09/1029152409.db2.gz XRNOUTIDULNRLI-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)c(Br)c1 ZINC000532974220 1029152418 /nfs/dbraw/zinc/15/24/18/1029152418.db2.gz XRNOUTIDULNRLI-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000614963716 1029154116 /nfs/dbraw/zinc/15/41/16/1029154116.db2.gz QEXKTPPAXNWTPQ-HYBUGGRVSA-N 1 2 336.460 3.868 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H](F)C2)C[C@@H](C)O1 ZINC000424606284 1029165595 /nfs/dbraw/zinc/16/55/95/1029165595.db2.gz PUUAWSNKGWXASW-YFHUEUNASA-N 1 2 348.462 3.763 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124237302 1029167876 /nfs/dbraw/zinc/16/78/76/1029167876.db2.gz ZDJOAHIOJMNIGI-JTDSTZFVSA-N 1 2 343.446 3.701 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000271796948 1029174050 /nfs/dbraw/zinc/17/40/50/1029174050.db2.gz OQGSFIBPDGPCOG-ZDUSSCGKSA-N 1 2 340.452 3.850 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124373507 1029207656 /nfs/dbraw/zinc/20/76/56/1029207656.db2.gz HUCVTLQMENHASH-NXHRZFHOSA-N 1 2 343.496 3.864 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000428422731 1029207958 /nfs/dbraw/zinc/20/79/58/1029207958.db2.gz RUPXPXFNTQPLTE-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000428422731 1029207977 /nfs/dbraw/zinc/20/79/77/1029207977.db2.gz RUPXPXFNTQPLTE-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1=O ZINC000533032600 1029210890 /nfs/dbraw/zinc/21/08/90/1029210890.db2.gz MCGPVORXORQZGO-CQSZACIVSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1=O ZINC000533032600 1029210905 /nfs/dbraw/zinc/21/09/05/1029210905.db2.gz MCGPVORXORQZGO-CQSZACIVSA-N 1 2 332.341 3.514 20 0 EHADLO CC(C)c1ccc(CCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000524467939 1029215349 /nfs/dbraw/zinc/21/53/49/1029215349.db2.gz ZLUXHVJZMAYPCL-UHFFFAOYSA-N 1 2 325.456 3.756 20 0 EHADLO Cn1c[nH+]cc1CN1CCCN(Cc2ccccc2)c2ccccc21 ZINC000533071709 1029269272 /nfs/dbraw/zinc/26/92/72/1029269272.db2.gz HGFLRIOMHHCRDN-UHFFFAOYSA-N 1 2 332.451 3.837 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000272011610 1029273068 /nfs/dbraw/zinc/27/30/68/1029273068.db2.gz JYZVFJAJDYLVKH-LJQANCHMSA-N 1 2 342.439 3.984 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475637404 1029278951 /nfs/dbraw/zinc/27/89/51/1029278951.db2.gz KXWQJDIACAMHCH-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475637404 1029278965 /nfs/dbraw/zinc/27/89/65/1029278965.db2.gz KXWQJDIACAMHCH-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000424704256 1029284954 /nfs/dbraw/zinc/28/49/54/1029284954.db2.gz WJYJPKJLVCJGDS-PKOBYXMFSA-N 1 2 343.515 3.973 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1C ZINC000245813348 1029329749 /nfs/dbraw/zinc/32/97/49/1029329749.db2.gz ZTCCLILPPPGJOK-FZKQIMNGSA-N 1 2 333.501 3.933 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1C ZINC000245813348 1029329764 /nfs/dbraw/zinc/32/97/64/1029329764.db2.gz ZTCCLILPPPGJOK-FZKQIMNGSA-N 1 2 333.501 3.933 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000533718070 1029332730 /nfs/dbraw/zinc/33/27/30/1029332730.db2.gz AWSNXLLUQQXVCN-IAGOWNOFSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1nc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cs1 ZINC000272199246 1029356454 /nfs/dbraw/zinc/35/64/54/1029356454.db2.gz BEFUJLCOXUBNJD-XQQFMLRXSA-N 1 2 332.473 3.633 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)o1 ZINC000272209765 1029359009 /nfs/dbraw/zinc/35/90/09/1029359009.db2.gz FEZZSQAXZFTYGI-KRWDZBQOSA-N 1 2 336.395 3.536 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000446061342 1029371798 /nfs/dbraw/zinc/37/17/98/1029371798.db2.gz PZAGJBRYSAAWIG-VQHPVUNQSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000446061342 1029371809 /nfs/dbraw/zinc/37/18/09/1029371809.db2.gz PZAGJBRYSAAWIG-VQHPVUNQSA-N 1 2 340.467 3.515 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(C)o1 ZINC000272253534 1029382182 /nfs/dbraw/zinc/38/21/82/1029382182.db2.gz IJMSCBHGFXZVPN-GOSISDBHSA-N 1 2 339.439 3.700 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C)c1cccc2ccccc21 ZINC000446071569 1029386795 /nfs/dbraw/zinc/38/67/95/1029386795.db2.gz JXDRUDPFHXTIHZ-VQHPVUNQSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C)c1cccc2ccccc21 ZINC000446071569 1029386811 /nfs/dbraw/zinc/38/68/11/1029386811.db2.gz JXDRUDPFHXTIHZ-VQHPVUNQSA-N 1 2 340.467 3.515 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000054513571 1029387669 /nfs/dbraw/zinc/38/76/69/1029387669.db2.gz BYNCEESPEUBWDH-OAHLLOKOSA-N 1 2 332.469 3.552 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000054513571 1029387684 /nfs/dbraw/zinc/38/76/84/1029387684.db2.gz BYNCEESPEUBWDH-OAHLLOKOSA-N 1 2 332.469 3.552 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccnc1Cl ZINC000272279205 1029393083 /nfs/dbraw/zinc/39/30/83/1029393083.db2.gz QCHPXFAJPIIAOT-MGPQQGTHSA-N 1 2 346.862 3.917 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000272282805 1029396510 /nfs/dbraw/zinc/39/65/10/1029396510.db2.gz MXPJIEZXJPBURO-KRWDZBQOSA-N 1 2 337.423 3.625 20 0 EHADLO COc1c(O)cccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000272282805 1029396525 /nfs/dbraw/zinc/39/65/25/1029396525.db2.gz MXPJIEZXJPBURO-KRWDZBQOSA-N 1 2 337.423 3.625 20 0 EHADLO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000524648003 1029405263 /nfs/dbraw/zinc/40/52/63/1029405263.db2.gz QPUWUFWNFAFHRT-LSDHHAIUSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000524648003 1029405269 /nfs/dbraw/zinc/40/52/69/1029405269.db2.gz QPUWUFWNFAFHRT-LSDHHAIUSA-N 1 2 335.394 3.706 20 0 EHADLO COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054010742 1029410843 /nfs/dbraw/zinc/41/08/43/1029410843.db2.gz NMOWSONJYNDYPJ-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2cccc(OC(F)F)c2)c[nH+]1 ZINC000424862104 1029417989 /nfs/dbraw/zinc/41/79/89/1029417989.db2.gz GERBCSPNYMJHFP-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454898576 1029447751 /nfs/dbraw/zinc/44/77/51/1029447751.db2.gz GEAGWGXRFICKOP-CQSZACIVSA-N 1 2 329.469 3.981 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000272565024 1029515226 /nfs/dbraw/zinc/51/52/26/1029515226.db2.gz CIOJSBVIMJVGLZ-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000272565024 1029515235 /nfs/dbraw/zinc/51/52/35/1029515235.db2.gz CIOJSBVIMJVGLZ-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO FC(F)(F)c1ccn(C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)n1 ZINC000272571204 1029517237 /nfs/dbraw/zinc/51/72/37/1029517237.db2.gz VFKVYEKVNLHOEO-UHFFFAOYSA-N 1 2 340.349 3.604 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000272654693 1029551122 /nfs/dbraw/zinc/55/11/22/1029551122.db2.gz NNXQEOGBLQZJGV-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000272654693 1029551135 /nfs/dbraw/zinc/55/11/35/1029551135.db2.gz NNXQEOGBLQZJGV-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000272654971 1029551445 /nfs/dbraw/zinc/55/14/45/1029551445.db2.gz NPZAMRIPOSBLEX-LBPRGKRZSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000272654971 1029551447 /nfs/dbraw/zinc/55/14/47/1029551447.db2.gz NPZAMRIPOSBLEX-LBPRGKRZSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000428437231 1029566792 /nfs/dbraw/zinc/56/67/92/1029566792.db2.gz KXLIHYMFUXUCAN-UHFFFAOYSA-N 1 2 334.414 3.661 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(F)F ZINC000455024760 1029570527 /nfs/dbraw/zinc/57/05/27/1029570527.db2.gz PPGXALBNKQKTPU-GFCCVEGCSA-N 1 2 346.381 3.767 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000192254871 1029631615 /nfs/dbraw/zinc/63/16/15/1029631615.db2.gz VPUPLLAOIBEMAK-RBUKOAKNSA-N 1 2 339.483 3.796 20 0 EHADLO Cc1cc2cc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)oc2cc1C ZINC000079409831 1029639190 /nfs/dbraw/zinc/63/91/90/1029639190.db2.gz BKIFVPPIKHCNME-UHFFFAOYSA-N 1 2 349.434 3.975 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1Cl ZINC000343185959 1029666948 /nfs/dbraw/zinc/66/69/48/1029666948.db2.gz BDGSOGRXBAMFOL-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(CCOc1ccc(F)c(Cl)c1)Nc1cccc2[nH+]ccn21 ZINC000525130272 1029702510 /nfs/dbraw/zinc/70/25/10/1029702510.db2.gz DFDGSLZVDNZQCI-UHFFFAOYSA-N 1 2 333.750 3.534 20 0 EHADLO CCC[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)CC1CC1 ZINC000114724112 1029712661 /nfs/dbraw/zinc/71/26/61/1029712661.db2.gz XEKPVXMZRXHPNS-UHFFFAOYSA-N 1 2 348.447 3.552 20 0 EHADLO CCC[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)CC1CC1 ZINC000114724112 1029712669 /nfs/dbraw/zinc/71/26/69/1029712669.db2.gz XEKPVXMZRXHPNS-UHFFFAOYSA-N 1 2 348.447 3.552 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCCO3)CCO2)cc1Cl ZINC000347399922 1029728755 /nfs/dbraw/zinc/72/87/55/1029728755.db2.gz LYODTBJNVHFUBJ-YOEHRIQHSA-N 1 2 327.827 3.812 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)CCO2)cc1Cl ZINC000347399922 1029728760 /nfs/dbraw/zinc/72/87/60/1029728760.db2.gz LYODTBJNVHFUBJ-YOEHRIQHSA-N 1 2 327.827 3.812 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(SCCOC)cc2)n1 ZINC000114751803 1029741335 /nfs/dbraw/zinc/74/13/35/1029741335.db2.gz LWTDLUUTPWWDAM-QWHCGFSZSA-N 1 2 335.473 3.782 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563827 1029756702 /nfs/dbraw/zinc/75/67/02/1029756702.db2.gz VKGAQIOMEWTOSO-HNNXBMFYSA-N 1 2 332.448 3.589 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563827 1029756707 /nfs/dbraw/zinc/75/67/07/1029756707.db2.gz VKGAQIOMEWTOSO-HNNXBMFYSA-N 1 2 332.448 3.589 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c(C(F)(F)F)c1 ZINC001211579795 1029791149 /nfs/dbraw/zinc/79/11/49/1029791149.db2.gz IPPINAAZHRCIHG-JTQLQIEISA-N 1 2 347.287 3.776 20 0 EHADLO C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1cccs1 ZINC000156307212 1029803971 /nfs/dbraw/zinc/80/39/71/1029803971.db2.gz IIZXUHQEJIUURG-AWEZNQCLSA-N 1 2 325.437 3.542 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)n1 ZINC000156341892 1029808325 /nfs/dbraw/zinc/80/83/25/1029808325.db2.gz NESKJYUJEHYUMG-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC=C(c2ccnn2C)CC1 ZINC000343225500 1029824179 /nfs/dbraw/zinc/82/41/79/1029824179.db2.gz SJFARIKDJAZNQM-UHFFFAOYSA-N 1 2 334.423 3.579 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1Cl ZINC000508727765 1029839681 /nfs/dbraw/zinc/83/96/81/1029839681.db2.gz UFMABMOOLCKGGD-IBGZPJMESA-N 1 2 329.827 3.720 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1Cl ZINC000508727765 1029839689 /nfs/dbraw/zinc/83/96/89/1029839689.db2.gz UFMABMOOLCKGGD-IBGZPJMESA-N 1 2 329.827 3.720 20 0 EHADLO COc1ccccc1-n1c2ccccc2[nH+]c1NCc1cncc(F)c1 ZINC000446879325 1029840128 /nfs/dbraw/zinc/84/01/28/1029840128.db2.gz MNMMWNKRZVXLIN-UHFFFAOYSA-N 1 2 348.381 3.602 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000446940544 1029861340 /nfs/dbraw/zinc/86/13/40/1029861340.db2.gz VKALXTLNEIXYRX-IKGLDXFJSA-N 1 2 339.464 3.587 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000455716530 1029868983 /nfs/dbraw/zinc/86/89/83/1029868983.db2.gz PZCJCSWZERLMES-RTBURBONSA-N 1 2 337.467 3.898 20 0 EHADLO CCc1nc(C)c(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)o1 ZINC000428469603 1029930560 /nfs/dbraw/zinc/93/05/60/1029930560.db2.gz VWCYSEZSKJAFGF-KRWDZBQOSA-N 1 2 344.455 3.735 20 0 EHADLO CCc1nc(C)c(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)o1 ZINC000428469603 1029930577 /nfs/dbraw/zinc/93/05/77/1029930577.db2.gz VWCYSEZSKJAFGF-KRWDZBQOSA-N 1 2 344.455 3.735 20 0 EHADLO Cc1ccc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000481858775 1030042223 /nfs/dbraw/zinc/04/22/23/1030042223.db2.gz WMZVKTIUCDOGJA-TZIWHRDSSA-N 1 2 345.446 3.660 20 0 EHADLO Cc1ccc([C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000481858764 1030042265 /nfs/dbraw/zinc/04/22/65/1030042265.db2.gz WMZVKTIUCDOGJA-CTNGQTDRSA-N 1 2 345.446 3.660 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000481873827 1030080594 /nfs/dbraw/zinc/08/05/94/1030080594.db2.gz LUJREXWYBVKPGN-ZTNFWEORSA-N 1 2 332.463 3.713 20 0 EHADLO C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245484572 1030099396 /nfs/dbraw/zinc/09/93/96/1030099396.db2.gz HRDMERBJEONJNT-BZUAXINKSA-N 1 2 326.444 3.621 20 0 EHADLO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1C ZINC000453325627 1030107654 /nfs/dbraw/zinc/10/76/54/1030107654.db2.gz XMOFQLBPSHYCSA-BEFAXECRSA-N 1 2 348.487 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(CC(C)C)n2)c1C ZINC000058959005 1030143608 /nfs/dbraw/zinc/14/36/08/1030143608.db2.gz XGKKSEMOHHQCQV-UHFFFAOYSA-N 1 2 347.484 3.634 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Cl)cc2F)c1C ZINC000058958230 1030144010 /nfs/dbraw/zinc/14/40/10/1030144010.db2.gz MCUJEEUTHWTGGY-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nnc(-c2cccs2)o1 ZINC000525834312 1030158932 /nfs/dbraw/zinc/15/89/32/1030158932.db2.gz ZMXCEDRDRGARIN-ABAIWWIYSA-N 1 2 326.425 3.995 20 0 EHADLO CC(C)n1cncc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657772264 1030182134 /nfs/dbraw/zinc/18/21/34/1030182134.db2.gz BZZGRNYBQLCOJB-CQSZACIVSA-N 1 2 328.243 3.594 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000128481418 1030191318 /nfs/dbraw/zinc/19/13/18/1030191318.db2.gz FDNLXHFNPGUDJK-ZIAGYGMSSA-N 1 2 331.485 3.965 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000453397953 1030207401 /nfs/dbraw/zinc/20/74/01/1030207401.db2.gz IRSYXEZUBHSJRS-AUUYWEPGSA-N 1 2 325.412 3.945 20 0 EHADLO CC1(C)COc2c1cccc2C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000447439878 1030210186 /nfs/dbraw/zinc/21/01/86/1030210186.db2.gz IZYBOZOBDURTOP-UHFFFAOYSA-N 1 2 333.391 3.999 20 0 EHADLO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161782233 1030219597 /nfs/dbraw/zinc/21/95/97/1030219597.db2.gz TYAQDISUUZZWFF-UHFFFAOYSA-N 1 2 335.194 3.974 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(F)c1Cl ZINC000447542445 1030278933 /nfs/dbraw/zinc/27/89/33/1030278933.db2.gz ORMJHLYHJBQUMM-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccccc1-c1cnn(C)c1 ZINC000536087100 1030286412 /nfs/dbraw/zinc/28/64/12/1030286412.db2.gz ZOBDZPGIEWEVBU-UHFFFAOYSA-N 1 2 328.419 3.978 20 0 EHADLO CCC[N@H+](Cc1c(C)onc1CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000163308795 1030319278 /nfs/dbraw/zinc/31/92/78/1030319278.db2.gz FXBDBJFTBCKOAI-AWEZNQCLSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1c(C)onc1CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000163308795 1030319294 /nfs/dbraw/zinc/31/92/94/1030319294.db2.gz FXBDBJFTBCKOAI-AWEZNQCLSA-N 1 2 329.444 3.785 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091867252 1030322830 /nfs/dbraw/zinc/32/28/30/1030322830.db2.gz GWFDAXLSHASBRR-ZDUSSCGKSA-N 1 2 345.418 3.828 20 0 EHADLO CCC[N@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCCc2cccnc21 ZINC000668003323 1030326555 /nfs/dbraw/zinc/32/65/55/1030326555.db2.gz OANFZCYHZQVHPY-SFHVURJKSA-N 1 2 325.460 3.688 20 0 EHADLO CCC[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCCc2cccnc21 ZINC000668003323 1030326569 /nfs/dbraw/zinc/32/65/69/1030326569.db2.gz OANFZCYHZQVHPY-SFHVURJKSA-N 1 2 325.460 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCc3ccc(F)cc31)C2 ZINC000526003514 1030344712 /nfs/dbraw/zinc/34/47/12/1030344712.db2.gz OXSHXQWQJMLEDF-BBRMVZONSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCc3ccc(F)cc31)CC2 ZINC000526003514 1030344730 /nfs/dbraw/zinc/34/47/30/1030344730.db2.gz OXSHXQWQJMLEDF-BBRMVZONSA-N 1 2 341.430 3.581 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000121739782 1030354882 /nfs/dbraw/zinc/35/48/82/1030354882.db2.gz LBYNAQYTVLNRIV-QGZVFWFLSA-N 1 2 344.503 3.794 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121755025 1030358097 /nfs/dbraw/zinc/35/80/97/1030358097.db2.gz FELPSTLXNYMREG-SFHVURJKSA-N 1 2 344.503 3.792 20 0 EHADLO c1csc([C@H]([NH2+]CCCCCc2ccccc2)c2nnc[nH]2)c1 ZINC000583645477 1030361168 /nfs/dbraw/zinc/36/11/68/1030361168.db2.gz YNAFVFKEKMLFBF-KRWDZBQOSA-N 1 2 326.469 3.958 20 0 EHADLO COC(=O)C[NH+]1CCC(Nc2ccccc2SC2CCCC2)CC1 ZINC000453582256 1030372478 /nfs/dbraw/zinc/37/24/78/1030372478.db2.gz SUNJQUSKSUOXKP-UHFFFAOYSA-N 1 2 348.512 3.771 20 0 EHADLO FC(F)(F)CN1Cc2ccc(NCc3cccc4[nH+]ccn43)cc2C1 ZINC000453611811 1030400433 /nfs/dbraw/zinc/40/04/33/1030400433.db2.gz LKHNSSXOQIIGMU-UHFFFAOYSA-N 1 2 346.356 3.824 20 0 EHADLO c1c2ccncc2sc1C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000668053869 1030445969 /nfs/dbraw/zinc/44/59/69/1030445969.db2.gz FQJGPZXNMQAJGR-QGZVFWFLSA-N 1 2 340.448 3.576 20 0 EHADLO c1c2ccncc2sc1C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000668053869 1030445976 /nfs/dbraw/zinc/44/59/76/1030445976.db2.gz FQJGPZXNMQAJGR-QGZVFWFLSA-N 1 2 340.448 3.576 20 0 EHADLO COCC[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccccc1 ZINC000447796701 1030482154 /nfs/dbraw/zinc/48/21/54/1030482154.db2.gz XQJKBONUXJRGJQ-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO COCC[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccccc1 ZINC000447796701 1030482161 /nfs/dbraw/zinc/48/21/61/1030482161.db2.gz XQJKBONUXJRGJQ-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO CC[C@@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635148348 1030498866 /nfs/dbraw/zinc/49/88/66/1030498866.db2.gz BFHGYBZSLWMGOW-DZGCQCFKSA-N 1 2 339.361 3.687 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c(OCCC(C)C)c1 ZINC000925254084 1030506503 /nfs/dbraw/zinc/50/65/03/1030506503.db2.gz MEZZGJRTTHPFOV-DOTOQJQBSA-N 1 2 328.460 3.807 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1nnc2ccccn21 ZINC000447836063 1030525596 /nfs/dbraw/zinc/52/55/96/1030525596.db2.gz WCVDFDFLTCBPNM-LJQANCHMSA-N 1 2 346.438 3.606 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1c(Cl)cccc1Cl ZINC000527000478 1030537738 /nfs/dbraw/zinc/53/77/38/1030537738.db2.gz TZWYJKPZFQFFML-OAHLLOKOSA-N 1 2 336.222 3.693 20 0 EHADLO COc1ccc(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000532322644 1030552420 /nfs/dbraw/zinc/55/24/20/1030552420.db2.gz YSSMLTMSFKVNFC-UHFFFAOYSA-N 1 2 343.814 3.510 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000668091717 1030591479 /nfs/dbraw/zinc/59/14/79/1030591479.db2.gz NDUAZTLEHCWWRE-KOLCDFICSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000668091717 1030591487 /nfs/dbraw/zinc/59/14/87/1030591487.db2.gz NDUAZTLEHCWWRE-KOLCDFICSA-N 1 2 337.183 3.925 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Cl)ccc1OC ZINC000157505387 1030596243 /nfs/dbraw/zinc/59/62/43/1030596243.db2.gz CVBCTQUWJGSGJI-OAHLLOKOSA-N 1 2 348.878 3.907 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)N1c1ccccc1 ZINC000447943509 1030597840 /nfs/dbraw/zinc/59/78/40/1030597840.db2.gz KBNRDSUXLCGVKT-DZGCQCFKSA-N 1 2 343.496 3.724 20 0 EHADLO c1cc(CNc2ccc(N3CCCCC3)c[nH+]2)n(-c2ccccc2)n1 ZINC000447945010 1030598189 /nfs/dbraw/zinc/59/81/89/1030598189.db2.gz OSAFWVYSQWUAKQ-UHFFFAOYSA-N 1 2 333.439 3.870 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CCO1 ZINC000093508691 1030624502 /nfs/dbraw/zinc/62/45/02/1030624502.db2.gz YBUVMEXFLKTVEF-LJQANCHMSA-N 1 2 326.440 3.662 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CCO1 ZINC000093508691 1030624515 /nfs/dbraw/zinc/62/45/15/1030624515.db2.gz YBUVMEXFLKTVEF-LJQANCHMSA-N 1 2 326.440 3.662 20 0 EHADLO CCN(CC)c1ccc(N[C@@H]2CCC[C@H](c3ccnn3C)C2)c[nH+]1 ZINC000448020888 1030652675 /nfs/dbraw/zinc/65/26/75/1030652675.db2.gz FNYZRVWDPHXLTR-JKSUJKDBSA-N 1 2 327.476 3.800 20 0 EHADLO CC1(C)CN(C(=O)NCCCNc2cccc[nH+]2)[C@H]1c1cccs1 ZINC000482704558 1030654262 /nfs/dbraw/zinc/65/42/62/1030654262.db2.gz FKNFJKFUWZXOKE-INIZCTEOSA-N 1 2 344.484 3.738 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1OC ZINC000093841658 1030683488 /nfs/dbraw/zinc/68/34/88/1030683488.db2.gz WDDALYUEGDDFMQ-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1OC ZINC000093841658 1030683501 /nfs/dbraw/zinc/68/35/01/1030683501.db2.gz WDDALYUEGDDFMQ-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000157602366 1030686566 /nfs/dbraw/zinc/68/65/66/1030686566.db2.gz MSJVVPNFTLWEGB-CQSZACIVSA-N 1 2 332.444 3.940 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000157602366 1030686574 /nfs/dbraw/zinc/68/65/74/1030686574.db2.gz MSJVVPNFTLWEGB-CQSZACIVSA-N 1 2 332.444 3.940 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2nccn2C)c(OCCC)c1 ZINC000657793564 1030725411 /nfs/dbraw/zinc/72/54/11/1030725411.db2.gz ISLOEOZYTRKNKD-OAHLLOKOSA-N 1 2 331.460 3.849 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000482812579 1030725446 /nfs/dbraw/zinc/72/54/46/1030725446.db2.gz YBULATLNJWQZFJ-VQIMIIECSA-N 1 2 339.483 3.833 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc2[nH]ccc21 ZINC000171395314 1030759059 /nfs/dbraw/zinc/75/90/59/1030759059.db2.gz DGMCCRKIIQBHPJ-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO Cc1c(Br)ccc(C(=O)Nc2cccc3[nH+]ccn32)c1F ZINC000448148517 1030770426 /nfs/dbraw/zinc/77/04/26/1030770426.db2.gz RMMGLKYASNNXHL-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000668149186 1030785655 /nfs/dbraw/zinc/78/56/55/1030785655.db2.gz MHGXFPXXIMMLBQ-HNNXBMFYSA-N 1 2 338.423 3.975 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000668149186 1030785670 /nfs/dbraw/zinc/78/56/70/1030785670.db2.gz MHGXFPXXIMMLBQ-HNNXBMFYSA-N 1 2 338.423 3.975 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000668154950 1030797783 /nfs/dbraw/zinc/79/77/83/1030797783.db2.gz YDQPRRKBLFWDQR-UHFFFAOYSA-N 1 2 334.395 3.841 20 0 EHADLO CC[C@](C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000666033553 1030802904 /nfs/dbraw/zinc/80/29/04/1030802904.db2.gz RKGPNJSWWMNXJX-IBGZPJMESA-N 1 2 342.443 3.662 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NCCCNc1cccc[nH+]1 ZINC000115160580 1030825159 /nfs/dbraw/zinc/82/51/59/1030825159.db2.gz SBMNUXHHVSOYAD-UHFFFAOYSA-N 1 2 343.427 3.976 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)sc1Cl ZINC000115160762 1030825767 /nfs/dbraw/zinc/82/57/67/1030825767.db2.gz LTMXFBSTGZKAQP-UHFFFAOYSA-N 1 2 330.240 3.682 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172094203 1030831810 /nfs/dbraw/zinc/83/18/10/1030831810.db2.gz WZFBCGBWZLULPS-QFBILLFUSA-N 1 2 331.419 3.891 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000172010572 1030861952 /nfs/dbraw/zinc/86/19/52/1030861952.db2.gz HJXFLIAPQBZULC-UHFFFAOYSA-N 1 2 331.416 3.578 20 0 EHADLO CCC(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000097040037 1030885390 /nfs/dbraw/zinc/88/53/90/1030885390.db2.gz WWCSDJZQSRDFIP-UHFFFAOYSA-N 1 2 326.396 3.617 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000357981859 1030908531 /nfs/dbraw/zinc/90/85/31/1030908531.db2.gz GQAPIAKOPFZQMG-BLLLJJGKSA-N 1 2 334.851 3.660 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000551029558 1030941183 /nfs/dbraw/zinc/94/11/83/1030941183.db2.gz JOACJWYMMPERQJ-GOSISDBHSA-N 1 2 338.430 3.909 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000551029559 1030941291 /nfs/dbraw/zinc/94/12/91/1030941291.db2.gz JOACJWYMMPERQJ-SFHVURJKSA-N 1 2 338.430 3.909 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115993474 1030957957 /nfs/dbraw/zinc/95/79/57/1030957957.db2.gz WWVFYLXKEDVKHW-QGZVFWFLSA-N 1 2 337.467 3.669 20 0 EHADLO CCc1nnc(C[N@@H+](CC)[C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000157943302 1030979934 /nfs/dbraw/zinc/97/99/34/1030979934.db2.gz WXQHHLMAZRVJGQ-LLVKDONJSA-N 1 2 326.366 3.969 20 0 EHADLO CCc1nnc(C[N@H+](CC)[C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000157943302 1030979952 /nfs/dbraw/zinc/97/99/52/1030979952.db2.gz WXQHHLMAZRVJGQ-LLVKDONJSA-N 1 2 326.366 3.969 20 0 EHADLO C[C@@H](c1nnc(SCC2CCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000172898125 1031027142 /nfs/dbraw/zinc/02/71/42/1031027142.db2.gz OUGWPDXVNKOEJR-LBPRGKRZSA-N 1 2 334.464 3.921 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1occc1-c1ccc(F)cc1 ZINC000152733068 1031027776 /nfs/dbraw/zinc/02/77/76/1031027776.db2.gz LMEAVSWHVNDDEJ-UHFFFAOYSA-N 1 2 339.370 3.713 20 0 EHADLO Cc1cccc2c(CCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)c[nH]c21 ZINC000173010587 1031042861 /nfs/dbraw/zinc/04/28/61/1031042861.db2.gz WDHMSVQQVGROEC-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(CCC4)C3)n2)C1 ZINC000343474065 1031043215 /nfs/dbraw/zinc/04/32/15/1031043215.db2.gz XCPYVWSBTOQBGX-CQSZACIVSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(CCC4)C3)n2)C1 ZINC000343474065 1031043227 /nfs/dbraw/zinc/04/32/27/1031043227.db2.gz XCPYVWSBTOQBGX-CQSZACIVSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625703 1031055101 /nfs/dbraw/zinc/05/51/01/1031055101.db2.gz VWEHLGLOYAWAJA-CMPLNLGQSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625703 1031055121 /nfs/dbraw/zinc/05/51/21/1031055121.db2.gz VWEHLGLOYAWAJA-CMPLNLGQSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666962048 1031058676 /nfs/dbraw/zinc/05/86/76/1031058676.db2.gz XHXIYQGJVKGLRX-ZIAGYGMSSA-N 1 2 343.858 3.851 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C(C)C)C1 ZINC000476895055 1031058799 /nfs/dbraw/zinc/05/87/99/1031058799.db2.gz NHHWECSDFLKBJF-ZDUSSCGKSA-N 1 2 335.398 3.518 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3F)cs2)CC1 ZINC000476924947 1031087368 /nfs/dbraw/zinc/08/73/68/1031087368.db2.gz YSQWQIJJXFQUMY-UHFFFAOYSA-N 1 2 333.432 3.620 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccccc2OC)oc1=S ZINC000760538473 1031108664 /nfs/dbraw/zinc/10/86/64/1031108664.db2.gz KNXRNURGYZZLBY-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccccc2OC)oc1=S ZINC000760538473 1031108675 /nfs/dbraw/zinc/10/86/75/1031108675.db2.gz KNXRNURGYZZLBY-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617920033 1031125986 /nfs/dbraw/zinc/12/59/86/1031125986.db2.gz WQPBNLGRVAUEJY-SFHVURJKSA-N 1 2 348.406 3.618 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(Br)cc1F)c1c(C)noc1C ZINC000527681649 1031145239 /nfs/dbraw/zinc/14/52/39/1031145239.db2.gz BODHAUQXLMEIDG-LBPRGKRZSA-N 1 2 342.212 3.829 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000527724495 1031153157 /nfs/dbraw/zinc/15/31/57/1031153157.db2.gz HNWZREYIJGQGIM-NOZJJQNGSA-N 1 2 344.249 3.861 20 0 EHADLO Cn1cc(-c2nc(C[NH2+]Cc3cc(C4CC4)ccc3F)cs2)cn1 ZINC000527712299 1031172260 /nfs/dbraw/zinc/17/22/60/1031172260.db2.gz DQAGHDHKRXSWTG-UHFFFAOYSA-N 1 2 342.443 3.850 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(OCC)c(OC)cc2F)o1 ZINC000527712345 1031172574 /nfs/dbraw/zinc/17/25/74/1031172574.db2.gz ZUWABLZYDQHYBR-UHFFFAOYSA-N 1 2 336.407 3.772 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C(F)F)CC1 ZINC000483521926 1031208599 /nfs/dbraw/zinc/20/85/99/1031208599.db2.gz DBKUGPRLPDFSGT-NSHDSACASA-N 1 2 339.361 3.838 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477084603 1031230525 /nfs/dbraw/zinc/23/05/25/1031230525.db2.gz HQIXDQUFKVHHIJ-AWEZNQCLSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477084603 1031230538 /nfs/dbraw/zinc/23/05/38/1031230538.db2.gz HQIXDQUFKVHHIJ-AWEZNQCLSA-N 1 2 343.446 3.744 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000174664161 1031240087 /nfs/dbraw/zinc/24/00/87/1031240087.db2.gz NALACWCEVYFTTR-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000343533157 1031279915 /nfs/dbraw/zinc/27/99/15/1031279915.db2.gz PXCFLTWCKCXOBU-VQTJNVASSA-N 1 2 347.418 3.557 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278539302 1031288899 /nfs/dbraw/zinc/28/88/99/1031288899.db2.gz AAEUJAOIJHDOSC-NSHDSACASA-N 1 2 329.341 3.970 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278539302 1031288906 /nfs/dbraw/zinc/28/89/06/1031288906.db2.gz AAEUJAOIJHDOSC-NSHDSACASA-N 1 2 329.341 3.970 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551406241 1031296628 /nfs/dbraw/zinc/29/66/28/1031296628.db2.gz JXMNQUJQTQVXPJ-UHFFFAOYSA-N 1 2 345.450 3.568 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000551406241 1031296641 /nfs/dbraw/zinc/29/66/41/1031296641.db2.gz JXMNQUJQTQVXPJ-UHFFFAOYSA-N 1 2 345.450 3.568 20 0 EHADLO c1ccc2c(c1)cc[nH+]c2N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000527833623 1031301372 /nfs/dbraw/zinc/30/13/72/1031301372.db2.gz DIWRAKQQISUEPK-KRWDZBQOSA-N 1 2 347.466 3.937 20 0 EHADLO CC(C)(C)c1nsc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000158416762 1031331600 /nfs/dbraw/zinc/33/16/00/1031331600.db2.gz VYTCJRDITZNYSC-UHFFFAOYSA-N 1 2 331.489 3.833 20 0 EHADLO Cc1cscc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000175712957 1031331735 /nfs/dbraw/zinc/33/17/35/1031331735.db2.gz YZRLLHJWTRRHIG-VMPITWQZSA-N 1 2 326.465 3.528 20 0 EHADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000175610121 1031352186 /nfs/dbraw/zinc/35/21/86/1031352186.db2.gz JCJSSZPKZABGCB-GFCCVEGCSA-N 1 2 342.424 3.597 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2CCC3(CC3)CC2)c1)[NH+]1CCOCC1 ZINC000668269615 1031353169 /nfs/dbraw/zinc/35/31/69/1031353169.db2.gz OQCDQQRSLTXKKC-INIZCTEOSA-N 1 2 342.483 3.989 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000151341699 1031363128 /nfs/dbraw/zinc/36/31/28/1031363128.db2.gz ZVOIDXOPZCTUOG-PMACEKPBSA-N 1 2 337.467 3.764 20 0 EHADLO C[C@H]1CCCN(C(=O)C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000527848144 1031364467 /nfs/dbraw/zinc/36/44/67/1031364467.db2.gz NRNXLEQAJGUJDZ-INIZCTEOSA-N 1 2 337.467 3.710 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)ncn1 ZINC000527875341 1031403523 /nfs/dbraw/zinc/40/35/23/1031403523.db2.gz LWNGQDHBXFAGEI-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCc2ccccc2NC1=O ZINC000483961062 1031403637 /nfs/dbraw/zinc/40/36/37/1031403637.db2.gz LAKUCPBROUDETB-KRWDZBQOSA-N 1 2 332.806 3.864 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCc2ccccc2NC1=O ZINC000483961062 1031403645 /nfs/dbraw/zinc/40/36/45/1031403645.db2.gz LAKUCPBROUDETB-KRWDZBQOSA-N 1 2 332.806 3.864 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000176140031 1031417239 /nfs/dbraw/zinc/41/72/39/1031417239.db2.gz TWNYTPZZVWNWBX-VMPITWQZSA-N 1 2 335.382 3.731 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000194739218 1031442614 /nfs/dbraw/zinc/44/26/14/1031442614.db2.gz JFXURUMZSAYMMF-BRWVUGGUSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000194739218 1031442618 /nfs/dbraw/zinc/44/26/18/1031442618.db2.gz JFXURUMZSAYMMF-BRWVUGGUSA-N 1 2 344.282 3.804 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000176549682 1031458505 /nfs/dbraw/zinc/45/85/05/1031458505.db2.gz HIQICGGJLHIFHW-SNAWJCMRSA-N 1 2 335.451 3.579 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C(C)C)s1)CCS2 ZINC000343580305 1031485415 /nfs/dbraw/zinc/48/54/15/1031485415.db2.gz WBAXOZACOPBUHD-ZDUSSCGKSA-N 1 2 335.498 3.997 20 0 EHADLO CCc1c2ccccc2oc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448704784 1031488107 /nfs/dbraw/zinc/48/81/07/1031488107.db2.gz ORYRBVRTUFVBLO-UHFFFAOYSA-N 1 2 349.434 3.789 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000667002712 1031492436 /nfs/dbraw/zinc/49/24/36/1031492436.db2.gz WMVVMUJXOZUXBT-PBHICJAKSA-N 1 2 331.485 3.801 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000347411398 1031498181 /nfs/dbraw/zinc/49/81/81/1031498181.db2.gz AFZJMKYKILPWLE-QZTJIDSGSA-N 1 2 337.467 3.636 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347418137 1031506523 /nfs/dbraw/zinc/50/65/23/1031506523.db2.gz AUTDHAYMBUFDIN-ROUUACIJSA-N 1 2 325.456 3.566 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000151511935 1031509378 /nfs/dbraw/zinc/50/93/78/1031509378.db2.gz JVCXJYUZAAXEOD-UHFFFAOYSA-N 1 2 335.382 3.518 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)no2)cc1 ZINC000177187625 1031521783 /nfs/dbraw/zinc/52/17/83/1031521783.db2.gz OOKVCCAJIOHEMJ-HOTGVXAUSA-N 1 2 345.468 3.605 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)no2)cc1 ZINC000177187625 1031521799 /nfs/dbraw/zinc/52/17/99/1031521799.db2.gz OOKVCCAJIOHEMJ-HOTGVXAUSA-N 1 2 345.468 3.605 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177547882 1031551090 /nfs/dbraw/zinc/55/10/90/1031551090.db2.gz MWPDDQNIUHHNFF-FUHWJXTLSA-N 1 2 325.456 3.579 20 0 EHADLO Nc1nc(CSCc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc12 ZINC000177808434 1031573053 /nfs/dbraw/zinc/57/30/53/1031573053.db2.gz HKJLGLCGFNLNSL-UHFFFAOYSA-N 1 2 347.447 3.831 20 0 EHADLO CC(C)Sc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178070939 1031618011 /nfs/dbraw/zinc/61/80/11/1031618011.db2.gz QQNBNUIEDLGSEG-UHFFFAOYSA-N 1 2 325.437 3.765 20 0 EHADLO C[C@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)n1cc[nH+]c1 ZINC000551752431 1031622823 /nfs/dbraw/zinc/62/28/23/1031622823.db2.gz ZUYVWCOFAHTZAJ-SNVBAGLBSA-N 1 2 348.378 3.875 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(CC(F)(F)F)cc1 ZINC000178212465 1031643744 /nfs/dbraw/zinc/64/37/44/1031643744.db2.gz WUGGWHQEPPGPFI-UHFFFAOYSA-N 1 2 348.328 3.761 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cn(C(C)C)nc3C)CCO2)cc1 ZINC000343620108 1031661515 /nfs/dbraw/zinc/66/15/15/1031661515.db2.gz LGKXARADHARSJL-HXUWFJFHSA-N 1 2 327.472 3.908 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)CCO2)cc1 ZINC000343620108 1031661525 /nfs/dbraw/zinc/66/15/25/1031661525.db2.gz LGKXARADHARSJL-HXUWFJFHSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1csc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1Cl ZINC000551791070 1031675107 /nfs/dbraw/zinc/67/51/07/1031675107.db2.gz DRIHAYCFBILGSX-HNNXBMFYSA-N 1 2 348.899 3.709 20 0 EHADLO Cc1csc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1Cl ZINC000551791070 1031675120 /nfs/dbraw/zinc/67/51/20/1031675120.db2.gz DRIHAYCFBILGSX-HNNXBMFYSA-N 1 2 348.899 3.709 20 0 EHADLO CC(C)C[C@H](c1nc(-c2cccc(-n3ccnc3)c2)no1)n1cc[nH+]c1 ZINC000923887755 1031679181 /nfs/dbraw/zinc/67/91/81/1031679181.db2.gz XZIYZLUXAQQZPQ-QGZVFWFLSA-N 1 2 348.410 3.754 20 0 EHADLO NC(=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000052795195 1031682121 /nfs/dbraw/zinc/68/21/21/1031682121.db2.gz CBDNWIIVWZHWHM-UHFFFAOYSA-N 1 2 327.771 3.832 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000178359687 1031687393 /nfs/dbraw/zinc/68/73/93/1031687393.db2.gz FVGVCRCRCRGLJC-CHWSQXEVSA-N 1 2 343.789 3.547 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352105 1031687672 /nfs/dbraw/zinc/68/76/72/1031687672.db2.gz KDUFWLBEJHCKJY-OAHLLOKOSA-N 1 2 337.423 3.543 20 0 EHADLO [NH3+][C@@H](c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 ZINC000904081608 1031715387 /nfs/dbraw/zinc/71/53/87/1031715387.db2.gz NXMAEWLZQWKBJM-CYBMUJFWSA-N 1 2 336.233 3.928 20 0 EHADLO Fc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC000484553650 1031716357 /nfs/dbraw/zinc/71/63/57/1031716357.db2.gz AVSFZUBFPBOKHI-UYAOXDASSA-N 1 2 327.399 3.593 20 0 EHADLO Fc1ccc2c(c1)[C@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC000484553650 1031716372 /nfs/dbraw/zinc/71/63/72/1031716372.db2.gz AVSFZUBFPBOKHI-UYAOXDASSA-N 1 2 327.399 3.593 20 0 EHADLO CCCc1ccc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000178824030 1031735642 /nfs/dbraw/zinc/73/56/42/1031735642.db2.gz JFMDYRAWUXWHAS-AZUAARDMSA-N 1 2 339.483 3.912 20 0 EHADLO COCc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000179208798 1031757284 /nfs/dbraw/zinc/75/72/84/1031757284.db2.gz QINGRQDXFCTXIQ-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO COCc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000179208798 1031757293 /nfs/dbraw/zinc/75/72/93/1031757293.db2.gz QINGRQDXFCTXIQ-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741840 1031760703 /nfs/dbraw/zinc/76/07/03/1031760703.db2.gz JCSAJYMGUWNRDM-UPJWGTAASA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741840 1031760712 /nfs/dbraw/zinc/76/07/12/1031760712.db2.gz JCSAJYMGUWNRDM-UPJWGTAASA-N 1 2 339.277 3.754 20 0 EHADLO CCO[C@@H](c1noc([C@H](c2ccccc2)[NH+](C)C)n1)C1CCCC1 ZINC000904142890 1031787851 /nfs/dbraw/zinc/78/78/51/1031787851.db2.gz GBEQCLKKFLUVKV-DLBZAZTESA-N 1 2 329.444 3.988 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000180422938 1031852054 /nfs/dbraw/zinc/85/20/54/1031852054.db2.gz NLMKRVFAKPNWKO-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000448900077 1031857167 /nfs/dbraw/zinc/85/71/67/1031857167.db2.gz PVTIOGQMDCFSDJ-JXFKEZNVSA-N 1 2 330.447 3.777 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C[C@H](C)[S@@]1=O ZINC000484717813 1031892887 /nfs/dbraw/zinc/89/28/87/1031892887.db2.gz VWDVCJUHSCFPRO-RSQQPWMTSA-N 1 2 337.529 3.594 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2ccc(C(C)(C)C)cc2)C[C@H](C)[S@@]1=O ZINC000484717813 1031892897 /nfs/dbraw/zinc/89/28/97/1031892897.db2.gz VWDVCJUHSCFPRO-RSQQPWMTSA-N 1 2 337.529 3.594 20 0 EHADLO Cc1ccc(OCCCc2nc(-c3c[nH+]c(N)cc3C)no2)c(C)c1 ZINC000904269561 1031895889 /nfs/dbraw/zinc/89/58/89/1031895889.db2.gz KTGBSEAQHXVAQC-UHFFFAOYSA-N 1 2 338.411 3.651 20 0 EHADLO CSc1ccc(CCCc2nc(-c3c[nH+]c(N)cc3C)no2)cc1 ZINC000904268005 1031896111 /nfs/dbraw/zinc/89/61/11/1031896111.db2.gz MKGJPBBBNWTGSJ-UHFFFAOYSA-N 1 2 340.452 3.919 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000904269671 1031899365 /nfs/dbraw/zinc/89/93/65/1031899365.db2.gz PCDHQUZVGQECCA-HNNXBMFYSA-N 1 2 336.395 3.583 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C2(c3ccc(F)cc3F)CCC2)n1 ZINC000904269663 1031900009 /nfs/dbraw/zinc/90/00/09/1031900009.db2.gz OYDUPYGIMZAGKO-UHFFFAOYSA-N 1 2 342.349 3.770 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2cc(C3CC3)n(C(C)(C)C)n2)n1 ZINC000904271797 1031900376 /nfs/dbraw/zinc/90/03/76/1031900376.db2.gz ACYODUVKVMSSCV-UHFFFAOYSA-N 1 2 338.415 3.518 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Br)c2)[C@@H]1[C@H]1CCCO1 ZINC000584201246 1031926262 /nfs/dbraw/zinc/92/62/62/1031926262.db2.gz LEUVFKSIGFGAEE-DGCLKSJQSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Br)c2)[C@@H]1[C@H]1CCCO1 ZINC000584201246 1031926272 /nfs/dbraw/zinc/92/62/72/1031926272.db2.gz LEUVFKSIGFGAEE-DGCLKSJQSA-N 1 2 330.291 3.900 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CO[C@H]2CCCc3ccccc32)n1 ZINC000904261902 1031907268 /nfs/dbraw/zinc/90/72/68/1031907268.db2.gz RDKATIWEOBOWOY-INIZCTEOSA-N 1 2 336.395 3.616 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000448910293 1031913910 /nfs/dbraw/zinc/91/39/10/1031913910.db2.gz NSZWRWXJYVLEKT-FCEWJHQRSA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159160507 1031916449 /nfs/dbraw/zinc/91/64/49/1031916449.db2.gz ZYJMVAANIAZZQQ-MRXNPFEDSA-N 1 2 344.459 3.908 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000537852656 1031976600 /nfs/dbraw/zinc/97/66/00/1031976600.db2.gz IGLVJJTYRIVSDZ-LJQANCHMSA-N 1 2 341.499 3.908 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000537852656 1031976621 /nfs/dbraw/zinc/97/66/21/1031976621.db2.gz IGLVJJTYRIVSDZ-LJQANCHMSA-N 1 2 341.499 3.908 20 0 EHADLO Cc1ccnc(C(C)(C)c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000528264605 1031985855 /nfs/dbraw/zinc/98/58/55/1031985855.db2.gz VRTWAXXUOTYEFY-QGZVFWFLSA-N 1 2 336.439 3.750 20 0 EHADLO FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000643351876 1031993480 /nfs/dbraw/zinc/99/34/80/1031993480.db2.gz HMLDGVRAPDNQTK-LLVKDONJSA-N 1 2 327.762 3.585 20 0 EHADLO FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000643351876 1031993491 /nfs/dbraw/zinc/99/34/91/1031993491.db2.gz HMLDGVRAPDNQTK-LLVKDONJSA-N 1 2 327.762 3.585 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000278690735 1032018112 /nfs/dbraw/zinc/01/81/12/1032018112.db2.gz SFLCRJPIRAAIOU-AWEZNQCLSA-N 1 2 339.443 3.746 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000278690735 1032018126 /nfs/dbraw/zinc/01/81/26/1032018126.db2.gz SFLCRJPIRAAIOU-AWEZNQCLSA-N 1 2 339.443 3.746 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000455794952 1032018494 /nfs/dbraw/zinc/01/84/94/1032018494.db2.gz PAIKEQBYGLWWIK-MJGOQNOKSA-N 1 2 325.456 3.739 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000181407496 1032022639 /nfs/dbraw/zinc/02/26/39/1032022639.db2.gz WGMILDWVKFESRZ-ACJLOTCBSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000181407496 1032022658 /nfs/dbraw/zinc/02/26/58/1032022658.db2.gz WGMILDWVKFESRZ-ACJLOTCBSA-N 1 2 328.435 3.805 20 0 EHADLO COc1nccnc1C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000449013275 1032022887 /nfs/dbraw/zinc/02/28/87/1032022887.db2.gz KGSKJXFHRFIOFF-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1nccnc1C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000449013275 1032022903 /nfs/dbraw/zinc/02/29/03/1032022903.db2.gz KGSKJXFHRFIOFF-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO C[N@H+](CCC(F)(F)F)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449016232 1032027190 /nfs/dbraw/zinc/02/71/90/1032027190.db2.gz FGDKUSSRAIQHMF-UHFFFAOYSA-N 1 2 336.785 3.561 20 0 EHADLO C[N@@H+](CCC(F)(F)F)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449016232 1032027205 /nfs/dbraw/zinc/02/72/05/1032027205.db2.gz FGDKUSSRAIQHMF-UHFFFAOYSA-N 1 2 336.785 3.561 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)NC(C)(C)CC)c1nc(C(F)(F)F)cs1 ZINC000185955408 1032048873 /nfs/dbraw/zinc/04/88/73/1032048873.db2.gz WLKNNHQAEFCAOI-SECBINFHSA-N 1 2 337.411 3.507 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000584273825 1032050103 /nfs/dbraw/zinc/05/01/03/1032050103.db2.gz PQCVOCZGGSGCLD-LPHOPBHVSA-N 1 2 339.439 3.634 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000343714423 1032056468 /nfs/dbraw/zinc/05/64/68/1032056468.db2.gz NONVSYWYXTUZDY-QGZVFWFLSA-N 1 2 349.409 3.568 20 0 EHADLO COc1c(C)c[nH+]c(Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)c1C ZINC000574571714 1033300642 /nfs/dbraw/zinc/30/06/42/1033300642.db2.gz YJOCPODVFRCGAC-UHFFFAOYSA-N 1 2 349.434 3.596 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCOc3cccc(C)c3)n2)cc1 ZINC000607756110 1033302752 /nfs/dbraw/zinc/30/27/52/1033302752.db2.gz SBUVDNBJEWXJIR-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCOc3cccc(C)c3)n2)cc1 ZINC000607756110 1033302763 /nfs/dbraw/zinc/30/27/63/1033302763.db2.gz SBUVDNBJEWXJIR-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO CSCCCCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603019391 1033314519 /nfs/dbraw/zinc/31/45/19/1033314519.db2.gz AFQDJBWIUOCBAA-UHFFFAOYSA-N 1 2 332.473 3.566 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cncc(Cl)c2)nc1C ZINC000598611895 1033325865 /nfs/dbraw/zinc/32/58/65/1033325865.db2.gz KYTYGOCDOLLHLI-SNVBAGLBSA-N 1 2 339.848 3.527 20 0 EHADLO c1cc([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)n[nH]1 ZINC000685438091 1033337564 /nfs/dbraw/zinc/33/75/64/1033337564.db2.gz INPIWQPTZFBVHW-MRXNPFEDSA-N 1 2 325.441 3.655 20 0 EHADLO c1cc([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)n[nH]1 ZINC000685438091 1033337573 /nfs/dbraw/zinc/33/75/73/1033337573.db2.gz INPIWQPTZFBVHW-MRXNPFEDSA-N 1 2 325.441 3.655 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000460322847 1033377952 /nfs/dbraw/zinc/37/79/52/1033377952.db2.gz AQUSXVQDRVNHFH-UHFFFAOYSA-N 1 2 329.787 3.784 20 0 EHADLO O[C@@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C[C@H]1F ZINC000898187379 1033386212 /nfs/dbraw/zinc/38/62/12/1033386212.db2.gz FSEPPZGHPUSYLC-VPELESPFSA-N 1 2 341.426 3.684 20 0 EHADLO O[C@@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C[C@H]1F ZINC000898187379 1033386226 /nfs/dbraw/zinc/38/62/26/1033386226.db2.gz FSEPPZGHPUSYLC-VPELESPFSA-N 1 2 341.426 3.684 20 0 EHADLO C[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000607893374 1033394130 /nfs/dbraw/zinc/39/41/30/1033394130.db2.gz CTOSNNVVJUBRHM-CQSZACIVSA-N 1 2 328.843 3.576 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000449903328 1033402811 /nfs/dbraw/zinc/40/28/11/1033402811.db2.gz MTFPFFAEAPPFDK-RTBURBONSA-N 1 2 344.499 3.982 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000358117527 1033408747 /nfs/dbraw/zinc/40/87/47/1033408747.db2.gz LSNCYFWARLFRRQ-MRXNPFEDSA-N 1 2 332.423 3.536 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2csc(Br)c2)n1 ZINC000171859617 1033451413 /nfs/dbraw/zinc/45/14/13/1033451413.db2.gz LKPUMGBIPNBBJP-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2csc(Br)c2)n1 ZINC000171859617 1033451423 /nfs/dbraw/zinc/45/14/23/1033451423.db2.gz LKPUMGBIPNBBJP-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(-c2cscn2)c1 ZINC000608118039 1033480239 /nfs/dbraw/zinc/48/02/39/1033480239.db2.gz JMHIVKQSZZPBRD-UHFFFAOYSA-N 1 2 349.459 3.556 20 0 EHADLO CCOc1cccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608207437 1033541133 /nfs/dbraw/zinc/54/11/33/1033541133.db2.gz UZTWXABOJRQIQK-LJQANCHMSA-N 1 2 349.434 3.533 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000106241835 1033558672 /nfs/dbraw/zinc/55/86/72/1033558672.db2.gz HNQFPUDLGOXOHC-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)C1CCC1 ZINC000449997121 1033572725 /nfs/dbraw/zinc/57/27/25/1033572725.db2.gz SEINXOUDTQZBNC-UHFFFAOYSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762805 1033583282 /nfs/dbraw/zinc/58/32/82/1033583282.db2.gz RZKVTRZRYDPGEX-JVPBZIDWSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762805 1033583294 /nfs/dbraw/zinc/58/32/94/1033583294.db2.gz RZKVTRZRYDPGEX-JVPBZIDWSA-N 1 2 331.843 3.835 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)s1 ZINC000595000987 1033628849 /nfs/dbraw/zinc/62/88/49/1033628849.db2.gz ONHXEYKOROYLEZ-UHFFFAOYSA-N 1 2 344.408 3.617 20 0 EHADLO CCn1cc(C[NH2+][C@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)nn1 ZINC000595067004 1033645031 /nfs/dbraw/zinc/64/50/31/1033645031.db2.gz DKGLAMPJBVJKEJ-SFHVURJKSA-N 1 2 342.487 3.907 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)OC ZINC000476436395 1033835993 /nfs/dbraw/zinc/83/59/93/1033835993.db2.gz QOINHHZRYBSCNP-QAPCUYQASA-N 1 2 349.519 3.596 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)OC ZINC000476436395 1033836006 /nfs/dbraw/zinc/83/60/06/1033836006.db2.gz QOINHHZRYBSCNP-QAPCUYQASA-N 1 2 349.519 3.596 20 0 EHADLO CC(C)CC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000120477510 1033850061 /nfs/dbraw/zinc/85/00/61/1033850061.db2.gz UZGDYQNPMSJFQG-UHFFFAOYSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCC[N@H+]3C)s2)cc1F ZINC000599306357 1033853337 /nfs/dbraw/zinc/85/33/37/1033853337.db2.gz YXTKMRGNALCZFA-INIZCTEOSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCC[N@@H+]3C)s2)cc1F ZINC000599306357 1033853352 /nfs/dbraw/zinc/85/33/52/1033853352.db2.gz YXTKMRGNALCZFA-INIZCTEOSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1ccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000608747808 1033858760 /nfs/dbraw/zinc/85/87/60/1033858760.db2.gz FNGJSDSUCSCPLA-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000608747808 1033858769 /nfs/dbraw/zinc/85/87/69/1033858769.db2.gz FNGJSDSUCSCPLA-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635704932 1033860453 /nfs/dbraw/zinc/86/04/53/1033860453.db2.gz PBEZAVKWYKGPMI-BFHYXJOUSA-N 1 2 331.382 3.804 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccsc2Cl)C1 ZINC000595628159 1033905577 /nfs/dbraw/zinc/90/55/77/1033905577.db2.gz WDNNGIMSQRPWIQ-ZJUUUORDSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccsc2Cl)C1 ZINC000595628159 1033905596 /nfs/dbraw/zinc/90/55/96/1033905596.db2.gz WDNNGIMSQRPWIQ-ZJUUUORDSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)c1occc1C[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595639676 1033930928 /nfs/dbraw/zinc/93/09/28/1033930928.db2.gz ZXIQQOLKGFGFKR-KRWDZBQOSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1occc1C[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595639676 1033930935 /nfs/dbraw/zinc/93/09/35/1033930935.db2.gz ZXIQQOLKGFGFKR-KRWDZBQOSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2F)nc1 ZINC000599449229 1033932104 /nfs/dbraw/zinc/93/21/04/1033932104.db2.gz NLQDLMQPBCPASZ-NSHDSACASA-N 1 2 336.794 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2F)nc1 ZINC000599449229 1033932118 /nfs/dbraw/zinc/93/21/18/1033932118.db2.gz NLQDLMQPBCPASZ-NSHDSACASA-N 1 2 336.794 3.854 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cs1 ZINC000120577299 1033934690 /nfs/dbraw/zinc/93/46/90/1033934690.db2.gz GHQPZMQTHLTWTI-OAHLLOKOSA-N 1 2 330.501 3.540 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000612054080 1033941418 /nfs/dbraw/zinc/94/14/18/1033941418.db2.gz ODNKTCFVQCGJHO-JFIYKMOQSA-N 1 2 325.456 3.736 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000595675959 1033945327 /nfs/dbraw/zinc/94/53/27/1033945327.db2.gz OFDDTDXNCNDYTA-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000595675959 1033945332 /nfs/dbraw/zinc/94/53/32/1033945332.db2.gz OFDDTDXNCNDYTA-KRWDZBQOSA-N 1 2 326.396 3.579 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000658116986 1033946537 /nfs/dbraw/zinc/94/65/37/1033946537.db2.gz PQYCWVJYVWSHGC-UHFFFAOYSA-N 1 2 335.373 3.571 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC000171031910 1033973655 /nfs/dbraw/zinc/97/36/55/1033973655.db2.gz JFXVBIKYXPLOAR-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO O=C(c1cnccc1Oc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669700980 1033987220 /nfs/dbraw/zinc/98/72/20/1033987220.db2.gz IVJRPOHGMYOEJD-INIZCTEOSA-N 1 2 348.406 3.548 20 0 EHADLO CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)Cc1cccc(F)c1 ZINC000450248349 1033989301 /nfs/dbraw/zinc/98/93/01/1033989301.db2.gz RGNLHVQBXGPKRE-UHFFFAOYSA-N 1 2 335.444 3.641 20 0 EHADLO CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)Cc1cccc(F)c1 ZINC000450248349 1033989315 /nfs/dbraw/zinc/98/93/15/1033989315.db2.gz RGNLHVQBXGPKRE-UHFFFAOYSA-N 1 2 335.444 3.641 20 0 EHADLO CCOc1ccc(OC(C)(C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603883630 1034005965 /nfs/dbraw/zinc/00/59/65/1034005965.db2.gz HOMZNBRFXZABBB-UHFFFAOYSA-N 1 2 339.395 3.529 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000595826274 1034013554 /nfs/dbraw/zinc/01/35/54/1034013554.db2.gz LOHFUEVGKAZKHL-HOCLYGCPSA-N 1 2 346.500 3.594 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000595826274 1034013570 /nfs/dbraw/zinc/01/35/70/1034013570.db2.gz LOHFUEVGKAZKHL-HOCLYGCPSA-N 1 2 346.500 3.594 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591802 1034031886 /nfs/dbraw/zinc/03/18/86/1034031886.db2.gz WBBYTRPQPAXEQK-CRAIPNDOSA-N 1 2 347.503 3.798 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591802 1034031900 /nfs/dbraw/zinc/03/19/00/1034031900.db2.gz WBBYTRPQPAXEQK-CRAIPNDOSA-N 1 2 347.503 3.798 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)nn1 ZINC000658176768 1034042389 /nfs/dbraw/zinc/04/23/89/1034042389.db2.gz MWLBFNJILCLHIS-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000119080672 1034080541 /nfs/dbraw/zinc/08/05/41/1034080541.db2.gz GOZBORIBOOSCPU-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120725983 1034086531 /nfs/dbraw/zinc/08/65/31/1034086531.db2.gz BPUKXGWPGIEEEW-KBXCAEBGSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120725983 1034086538 /nfs/dbraw/zinc/08/65/38/1034086538.db2.gz BPUKXGWPGIEEEW-KBXCAEBGSA-N 1 2 333.453 3.598 20 0 EHADLO C[C@H]1CC=C(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000456070193 1034090832 /nfs/dbraw/zinc/09/08/32/1034090832.db2.gz PVKNITJBKUSJOR-DOTOQJQBSA-N 1 2 327.472 3.672 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c(C)o1 ZINC000599693915 1034096953 /nfs/dbraw/zinc/09/69/53/1034096953.db2.gz IOFQFXIAZPDDQB-UHFFFAOYSA-N 1 2 335.350 3.822 20 0 EHADLO COC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(Cl)c1F ZINC000658213461 1034097185 /nfs/dbraw/zinc/09/71/85/1034097185.db2.gz RTRULRDRCQEMKC-HNNXBMFYSA-N 1 2 337.826 3.567 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000119377398 1034147882 /nfs/dbraw/zinc/14/78/82/1034147882.db2.gz OBUWLABVLMHZMH-IBGZPJMESA-N 1 2 340.471 3.796 20 0 EHADLO C[C@H](CO)[C@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450350357 1034161855 /nfs/dbraw/zinc/16/18/55/1034161855.db2.gz QHTZDPAWEYUBGB-BDAKNGLRSA-N 1 2 327.197 3.565 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(OC)c1 ZINC000537617372 1034164372 /nfs/dbraw/zinc/16/43/72/1034164372.db2.gz HETGRJDULZZBQR-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(OC)c1 ZINC000537617372 1034164382 /nfs/dbraw/zinc/16/43/82/1034164382.db2.gz HETGRJDULZZBQR-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000450358464 1034194640 /nfs/dbraw/zinc/19/46/40/1034194640.db2.gz SBENUOHSXBRUQN-KRWDZBQOSA-N 1 2 347.455 3.609 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000450358464 1034194651 /nfs/dbraw/zinc/19/46/51/1034194651.db2.gz SBENUOHSXBRUQN-KRWDZBQOSA-N 1 2 347.455 3.609 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(F)cc1OC ZINC000529578361 1034209156 /nfs/dbraw/zinc/20/91/56/1034209156.db2.gz RDXKHNLOMHXCJK-MAUKXSAKSA-N 1 2 337.435 3.622 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(F)cc1OC ZINC000529578361 1034209169 /nfs/dbraw/zinc/20/91/69/1034209169.db2.gz RDXKHNLOMHXCJK-MAUKXSAKSA-N 1 2 337.435 3.622 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000255697508 1034232681 /nfs/dbraw/zinc/23/26/81/1034232681.db2.gz UFIYTLJDAIDPLO-CCEZHUSRSA-N 1 2 327.403 3.633 20 0 EHADLO O[C@H]1CC[C@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450403923 1034282057 /nfs/dbraw/zinc/28/20/57/1034282057.db2.gz MNWMOGKTARZVAS-MGCOHNPYSA-N 1 2 339.208 3.852 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591665 1034307089 /nfs/dbraw/zinc/30/70/89/1034307089.db2.gz JKIOOUIOIMTYMC-KRWDZBQOSA-N 1 2 328.412 3.607 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591665 1034307101 /nfs/dbraw/zinc/30/71/01/1034307101.db2.gz JKIOOUIOIMTYMC-KRWDZBQOSA-N 1 2 328.412 3.607 20 0 EHADLO CCc1ccc(CCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604300085 1034317833 /nfs/dbraw/zinc/31/78/33/1034317833.db2.gz SOJWMIZKSXMFHZ-UHFFFAOYSA-N 1 2 333.435 3.684 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299983 1034358229 /nfs/dbraw/zinc/35/82/29/1034358229.db2.gz QHLLIMUQOSFWBU-HUUCEWRRSA-N 1 2 345.240 3.625 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299733 1034359423 /nfs/dbraw/zinc/35/94/23/1034359423.db2.gz IQANIHFUBKGUDA-NSHDSACASA-N 1 2 347.256 3.700 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C)C2 ZINC000456357403 1034376110 /nfs/dbraw/zinc/37/61/10/1034376110.db2.gz XWARVTHJWOTJKG-VKJFTORMSA-N 1 2 331.504 3.777 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C)CC2 ZINC000456357403 1034376125 /nfs/dbraw/zinc/37/61/25/1034376125.db2.gz XWARVTHJWOTJKG-VKJFTORMSA-N 1 2 331.504 3.777 20 0 EHADLO O[C@@H]1CC[C@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450477124 1034397329 /nfs/dbraw/zinc/39/73/29/1034397329.db2.gz UZYNEOGEOUKCFS-VHSXEESVSA-N 1 2 339.208 3.709 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(-c2ccccn2)n1 ZINC000061621973 1034404297 /nfs/dbraw/zinc/40/42/97/1034404297.db2.gz UPZGPWHPHNCASM-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1ccc(Br)c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000347353373 1034411447 /nfs/dbraw/zinc/41/14/47/1034411447.db2.gz PBTSZLMBCRMKQV-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604599543 1034419981 /nfs/dbraw/zinc/41/99/81/1034419981.db2.gz RLMBOFBCPWTJTB-SFHVURJKSA-N 1 2 348.450 3.865 20 0 EHADLO CC(C)CC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000604577077 1034426873 /nfs/dbraw/zinc/42/68/73/1034426873.db2.gz AZYDXEQIIMSVCP-QGZVFWFLSA-N 1 2 348.535 3.912 20 0 EHADLO FC(F)(F)COc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121121467 1034460346 /nfs/dbraw/zinc/46/03/46/1034460346.db2.gz UPZXNUXFCOMHGE-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121121467 1034460355 /nfs/dbraw/zinc/46/03/55/1034460355.db2.gz UPZXNUXFCOMHGE-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450527913 1034481515 /nfs/dbraw/zinc/48/15/15/1034481515.db2.gz MXWIKTIDPQIFFA-CYBMUJFWSA-N 1 2 349.837 3.770 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121177630 1034485693 /nfs/dbraw/zinc/48/56/93/1034485693.db2.gz BGTSRSORNLTDIY-IBGZPJMESA-N 1 2 340.423 3.554 20 0 EHADLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000171608894 1034509780 /nfs/dbraw/zinc/50/97/80/1034509780.db2.gz YWEOTNWKRRINKS-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000171608894 1034509792 /nfs/dbraw/zinc/50/97/92/1034509792.db2.gz YWEOTNWKRRINKS-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO CC(=O)c1cccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1 ZINC000450562482 1034523749 /nfs/dbraw/zinc/52/37/49/1034523749.db2.gz RJULXWRXOSWBQR-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1 ZINC000450562482 1034523758 /nfs/dbraw/zinc/52/37/58/1034523758.db2.gz RJULXWRXOSWBQR-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000171655842 1034536485 /nfs/dbraw/zinc/53/64/85/1034536485.db2.gz OYSTXBBYPLRVGK-OAHLLOKOSA-N 1 2 342.487 3.567 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000171655842 1034536495 /nfs/dbraw/zinc/53/64/95/1034536495.db2.gz OYSTXBBYPLRVGK-OAHLLOKOSA-N 1 2 342.487 3.567 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456556091 1034537366 /nfs/dbraw/zinc/53/73/66/1034537366.db2.gz HGGQQAHNRXWXFG-LJQANCHMSA-N 1 2 347.418 3.892 20 0 EHADLO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000060460825 1034559623 /nfs/dbraw/zinc/55/96/23/1034559623.db2.gz PGEGFCPRSYGFQP-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO COC(=O)[C@H](C)Oc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC000597177838 1034581395 /nfs/dbraw/zinc/58/13/95/1034581395.db2.gz PYSOVNRGKFAQFL-AWEZNQCLSA-N 1 2 340.423 3.513 20 0 EHADLO O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000529824602 1034631737 /nfs/dbraw/zinc/63/17/37/1034631737.db2.gz GBKAPVDGRJZGQB-FQEVSTJZSA-N 1 2 346.434 3.598 20 0 EHADLO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000450648536 1034639017 /nfs/dbraw/zinc/63/90/17/1034639017.db2.gz VZKKHDPVZVEWCM-CYBMUJFWSA-N 1 2 341.484 3.848 20 0 EHADLO CSc1ccc(OCCN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534528389 1034647371 /nfs/dbraw/zinc/64/73/71/1034647371.db2.gz ZDLAOIWMYLIYJT-UHFFFAOYSA-N 1 2 348.537 3.667 20 0 EHADLO O[C@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccc(-c2ccccc2)cc1 ZINC000375841261 1034689048 /nfs/dbraw/zinc/68/90/48/1034689048.db2.gz RHOYMWHQDDFYRV-PZJWPPBQSA-N 1 2 333.435 3.777 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CCC[C@@H]4OCC[C@H]43)c21 ZINC000642206593 1034768211 /nfs/dbraw/zinc/76/82/11/1034768211.db2.gz GHEDFUGHQBQVJN-LNSITVRQSA-N 1 2 326.375 3.620 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(OCC(F)(F)F)c2)c[nH+]1 ZINC000456838236 1034781621 /nfs/dbraw/zinc/78/16/21/1034781621.db2.gz LRJXAMLROWUTHD-UHFFFAOYSA-N 1 2 338.329 3.570 20 0 EHADLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000605659372 1034812640 /nfs/dbraw/zinc/81/26/40/1034812640.db2.gz ZSEDYFQLDYAIMQ-UHFFFAOYSA-N 1 2 342.870 3.750 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000601936649 1034813387 /nfs/dbraw/zinc/81/33/87/1034813387.db2.gz XBPPOJYMHBHNHB-QWHCGFSZSA-N 1 2 332.400 3.660 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456858446 1034815272 /nfs/dbraw/zinc/81/52/72/1034815272.db2.gz LPLHBAYVDOOBHY-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000601930367 1034828753 /nfs/dbraw/zinc/82/87/53/1034828753.db2.gz HROMONLEQYGGCW-VHSXEESVSA-N 1 2 342.317 3.892 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000530009268 1034856214 /nfs/dbraw/zinc/85/62/14/1034856214.db2.gz JZZZTOIEOSAOPR-UKRRQHHQSA-N 1 2 333.382 3.578 20 0 EHADLO C[C@H]1CC(F)(F)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000530009269 1034857342 /nfs/dbraw/zinc/85/73/42/1034857342.db2.gz JZZZTOIEOSAOPR-ZFWWWQNUSA-N 1 2 333.382 3.578 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000450866034 1034881817 /nfs/dbraw/zinc/88/18/17/1034881817.db2.gz XLRQXTVQHGPJLA-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000450866034 1034881830 /nfs/dbraw/zinc/88/18/30/1034881830.db2.gz XLRQXTVQHGPJLA-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000450871412 1034888689 /nfs/dbraw/zinc/88/86/89/1034888689.db2.gz BGVASGMNQXZXMZ-AWEZNQCLSA-N 1 2 347.768 3.576 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000584478839 1034900760 /nfs/dbraw/zinc/90/07/60/1034900760.db2.gz CZQHBTXZIYAYBM-MNOVXSKESA-N 1 2 341.333 3.557 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000584478839 1034900766 /nfs/dbraw/zinc/90/07/66/1034900766.db2.gz CZQHBTXZIYAYBM-MNOVXSKESA-N 1 2 341.333 3.557 20 0 EHADLO CN(c1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC000612435658 1034932348 /nfs/dbraw/zinc/93/23/48/1034932348.db2.gz AHYWHMRWXVJCRF-HZPDHXFCSA-N 1 2 338.455 3.541 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1C ZINC000121408929 1034939828 /nfs/dbraw/zinc/93/98/28/1034939828.db2.gz XHRANABQUNQWPU-LJQANCHMSA-N 1 2 327.424 3.981 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1C ZINC000121408929 1034939831 /nfs/dbraw/zinc/93/98/31/1034939831.db2.gz XHRANABQUNQWPU-LJQANCHMSA-N 1 2 327.424 3.981 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C2=O ZINC000530096664 1034956076 /nfs/dbraw/zinc/95/60/76/1034956076.db2.gz SVWFQKDSUGMEJZ-SFHVURJKSA-N 1 2 340.398 3.585 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@H]1c1cccc(F)c1)C2=O ZINC000530096664 1034956082 /nfs/dbraw/zinc/95/60/82/1034956082.db2.gz SVWFQKDSUGMEJZ-SFHVURJKSA-N 1 2 340.398 3.585 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000152889872 1034971869 /nfs/dbraw/zinc/97/18/69/1034971869.db2.gz MYSCYOXIBYEJPN-KXBFYZLASA-N 1 2 340.471 3.601 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000375948376 1034993782 /nfs/dbraw/zinc/99/37/82/1034993782.db2.gz OHUYPIZPUROGMY-QGZVFWFLSA-N 1 2 335.407 3.700 20 0 EHADLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2cc(C)cs2)c1 ZINC000451001456 1035022309 /nfs/dbraw/zinc/02/23/09/1035022309.db2.gz HVSLPDWGCXQSIB-UHFFFAOYSA-N 1 2 338.498 3.699 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccccc3nc2Cl)C[C@@]2(CCOC2)O1 ZINC000376019866 1035132082 /nfs/dbraw/zinc/13/20/82/1035132082.db2.gz RYNGRCYMGTUXJH-LJQANCHMSA-N 1 2 346.858 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@@]2(CCOC2)O1 ZINC000376019866 1035132088 /nfs/dbraw/zinc/13/20/88/1035132088.db2.gz RYNGRCYMGTUXJH-LJQANCHMSA-N 1 2 346.858 3.658 20 0 EHADLO O=C(Nc1ccc(F)cc1OC1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612668343 1035153146 /nfs/dbraw/zinc/15/31/46/1035153146.db2.gz OPSHRFLUQBBBHV-CYBMUJFWSA-N 1 2 343.402 3.545 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000511374969 1035202798 /nfs/dbraw/zinc/20/27/98/1035202798.db2.gz CCQYCYCZOLDKBR-FGTMMUONSA-N 1 2 329.488 3.996 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc2-c2ccccc21 ZINC000413966635 1035295295 /nfs/dbraw/zinc/29/52/95/1035295295.db2.gz LQRABQXWSWQSQW-QGZVFWFLSA-N 1 2 343.430 3.702 20 0 EHADLO Clc1cccc(Cl)c1Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923763858 1035305541 /nfs/dbraw/zinc/30/55/41/1035305541.db2.gz QKCUELCKMPVIKJ-RKDXNWHRSA-N 1 2 335.194 3.961 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)s1 ZINC000289415278 1035331255 /nfs/dbraw/zinc/33/12/55/1035331255.db2.gz ASAFDSDODJJCEH-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO COc1ccc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1F ZINC000923781696 1035364017 /nfs/dbraw/zinc/36/40/17/1035364017.db2.gz CAESSYVYVTWQLA-OAHLLOKOSA-N 1 2 344.390 3.640 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000685833914 1035366128 /nfs/dbraw/zinc/36/61/28/1035366128.db2.gz DQCYLQVNEXKMLP-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511443050 1035436638 /nfs/dbraw/zinc/43/66/38/1035436638.db2.gz ZGULEBMLZAWESB-BRWVUGGUSA-N 1 2 344.503 3.564 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414073448 1035446523 /nfs/dbraw/zinc/44/65/23/1035446523.db2.gz MBNZFZMIVRKOJA-NWDGAFQWSA-N 1 2 334.441 3.740 20 0 EHADLO CCCCOc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414079562 1035455136 /nfs/dbraw/zinc/45/51/36/1035455136.db2.gz SYLKLMKUADAVOZ-CYBMUJFWSA-N 1 2 348.468 3.959 20 0 EHADLO Fc1ccc(/C=C\C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000501746963 1035509007 /nfs/dbraw/zinc/50/90/07/1035509007.db2.gz ZRFFAMVJMVPKCR-PLNGDYQASA-N 1 2 334.398 3.654 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000414105045 1035524442 /nfs/dbraw/zinc/52/44/42/1035524442.db2.gz ZRNQQZLOCWYINO-SNVBAGLBSA-N 1 2 336.844 3.923 20 0 EHADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)sc1-c1ccccc1 ZINC000571579449 1035542309 /nfs/dbraw/zinc/54/23/09/1035542309.db2.gz NTTKAXYDOXQWAF-CQSZACIVSA-N 1 2 339.464 3.986 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533830 1035547692 /nfs/dbraw/zinc/54/76/92/1035547692.db2.gz BXABUXZPRASBFZ-QMTHXVAHSA-N 1 2 343.324 3.537 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533830 1035547699 /nfs/dbraw/zinc/54/76/99/1035547699.db2.gz BXABUXZPRASBFZ-QMTHXVAHSA-N 1 2 343.324 3.537 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000571535463 1035552024 /nfs/dbraw/zinc/55/20/24/1035552024.db2.gz OIIPSPFSHAOQCG-HJOIGYKYSA-N 1 2 325.456 3.679 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000571535463 1035552044 /nfs/dbraw/zinc/55/20/44/1035552044.db2.gz OIIPSPFSHAOQCG-HJOIGYKYSA-N 1 2 325.456 3.679 20 0 EHADLO CC1(C)CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000456931498 1035557159 /nfs/dbraw/zinc/55/71/59/1035557159.db2.gz WCNQAZFVZIJICD-QGZVFWFLSA-N 1 2 325.456 3.878 20 0 EHADLO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccn2cc[nH+]c2c1 ZINC000571605307 1035564467 /nfs/dbraw/zinc/56/44/67/1035564467.db2.gz FEIJOAHZHIIMIX-VXGBXAGGSA-N 1 2 340.349 3.825 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000173673968 1035566351 /nfs/dbraw/zinc/56/63/51/1035566351.db2.gz HEHDQGBJEYAMQA-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO Fc1ccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cc1 ZINC000463507111 1035567661 /nfs/dbraw/zinc/56/76/61/1035567661.db2.gz XLRSFGKIQFHKQJ-UHFFFAOYSA-N 1 2 346.409 3.847 20 0 EHADLO COc1cc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1C ZINC000761438634 1035619022 /nfs/dbraw/zinc/61/90/22/1035619022.db2.gz LHMHIRUAMDABDF-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@]12C[C@H]1CCC2 ZINC000935700268 1035645223 /nfs/dbraw/zinc/64/52/23/1035645223.db2.gz SPJJZFCDCCVMKE-STXHMFSFSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@]12C[C@H]1CCC2 ZINC000935700268 1035645230 /nfs/dbraw/zinc/64/52/30/1035645230.db2.gz SPJJZFCDCCVMKE-STXHMFSFSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000457085226 1035696642 /nfs/dbraw/zinc/69/66/42/1035696642.db2.gz OICQXAQLDSBGPW-HLLBOEOZSA-N 1 2 343.858 3.551 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000457078860 1035726163 /nfs/dbraw/zinc/72/61/63/1035726163.db2.gz MBKHRXFORZYLNS-YQQAZPJKSA-N 1 2 343.858 3.551 20 0 EHADLO CC(C)CCn1nc(C[NH2+][C@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414141796 1035735167 /nfs/dbraw/zinc/73/51/67/1035735167.db2.gz HQKFNJAIGVLLTI-OAHLLOKOSA-N 1 2 325.460 3.667 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cnc2c(c1)CCCC2 ZINC000613406185 1035765980 /nfs/dbraw/zinc/76/59/80/1035765980.db2.gz FXGVKDCANYGGIG-GOSISDBHSA-N 1 2 346.434 3.844 20 0 EHADLO CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1cccnc1 ZINC000187341044 1035796970 /nfs/dbraw/zinc/79/69/70/1035796970.db2.gz RMXAMFWRUIIIGG-UHFFFAOYSA-N 1 2 325.441 3.664 20 0 EHADLO Cc1ccc(C[S@@](=O)CC(=O)Nc2cccc(C(C)C)c2)c(C)[nH+]1 ZINC000187230411 1035798650 /nfs/dbraw/zinc/79/86/50/1035798650.db2.gz SGCMXBMYYANBRQ-XMMPIXPASA-N 1 2 344.480 3.709 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(CSC)cc2)s1 ZINC000414165233 1035845947 /nfs/dbraw/zinc/84/59/47/1035845947.db2.gz PCJAFAWDKRVGEF-NSHDSACASA-N 1 2 336.482 3.644 20 0 EHADLO Brc1ccc2[nH]c3c(c2c1)CN(c1cccc[nH+]1)CC3 ZINC000613428458 1035851619 /nfs/dbraw/zinc/85/16/19/1035851619.db2.gz SSNPNCDKOVEGMR-UHFFFAOYSA-N 1 2 328.213 3.888 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613441754 1035877301 /nfs/dbraw/zinc/87/73/01/1035877301.db2.gz WGTYWBLUYACJEJ-MRXNPFEDSA-N 1 2 340.467 3.992 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613441754 1035877316 /nfs/dbraw/zinc/87/73/16/1035877316.db2.gz WGTYWBLUYACJEJ-MRXNPFEDSA-N 1 2 340.467 3.992 20 0 EHADLO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000540986632 1035880427 /nfs/dbraw/zinc/88/04/27/1035880427.db2.gz XATSBAHKYDRBII-MGPUTAFESA-N 1 2 348.450 3.819 20 0 EHADLO C/C(=C/C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000066610638 1035918974 /nfs/dbraw/zinc/91/89/74/1035918974.db2.gz PZIMKCPISPZWOE-OWBHPGMISA-N 1 2 343.858 3.635 20 0 EHADLO CCNC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000174288222 1035934443 /nfs/dbraw/zinc/93/44/43/1035934443.db2.gz OWQZQCWTWIRCCL-UHFFFAOYSA-N 1 2 334.423 3.543 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(F)c(F)c1O)[N@H+](C)Cc1ccccc1 ZINC000457316723 1035946359 /nfs/dbraw/zinc/94/63/59/1035946359.db2.gz QGQFESZEICAPKL-HNNXBMFYSA-N 1 2 334.366 3.520 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(F)c(F)c1O)[N@@H+](C)Cc1ccccc1 ZINC000457316723 1035946373 /nfs/dbraw/zinc/94/63/73/1035946373.db2.gz QGQFESZEICAPKL-HNNXBMFYSA-N 1 2 334.366 3.520 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000572162800 1035994304 /nfs/dbraw/zinc/99/43/04/1035994304.db2.gz JBFXRJRZDXGNJQ-YQQAZPJKSA-N 1 2 343.858 3.551 20 0 EHADLO Cc1cccc([C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)c1 ZINC000572124146 1036007992 /nfs/dbraw/zinc/00/79/92/1036007992.db2.gz JOFZACLVTLJLBT-SWLSCSKDSA-N 1 2 325.334 3.562 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c1 ZINC000646064285 1036009711 /nfs/dbraw/zinc/00/97/11/1036009711.db2.gz SHQUTDJQSDKFMC-VLIAUNLRSA-N 1 2 342.414 3.746 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c1 ZINC000646064285 1036009729 /nfs/dbraw/zinc/00/97/29/1036009729.db2.gz SHQUTDJQSDKFMC-VLIAUNLRSA-N 1 2 342.414 3.746 20 0 EHADLO O=C(CNc1cccc(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000588778126 1036017964 /nfs/dbraw/zinc/01/79/64/1036017964.db2.gz HBMSYBQLARNDIR-UHFFFAOYSA-N 1 2 326.787 3.576 20 0 EHADLO CCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535115217 1036039116 /nfs/dbraw/zinc/03/91/16/1036039116.db2.gz FHBXOLOHUSINPX-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535115217 1036039134 /nfs/dbraw/zinc/03/91/34/1036039134.db2.gz FHBXOLOHUSINPX-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO CC(C)(C)c1ccc(-c2ccc(C(=O)NCCc3[nH]cc[nH+]3)o2)cc1 ZINC000174748237 1036088385 /nfs/dbraw/zinc/08/83/85/1036088385.db2.gz USKLVXDOLIFYNX-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3[nH]2)ccc1OC(F)F ZINC000588815711 1036100681 /nfs/dbraw/zinc/10/06/81/1036100681.db2.gz IKLYQDUNLFNQAZ-UHFFFAOYSA-N 1 2 347.365 3.805 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)ccc1OC(F)F ZINC000588815711 1036100690 /nfs/dbraw/zinc/10/06/90/1036100690.db2.gz IKLYQDUNLFNQAZ-UHFFFAOYSA-N 1 2 347.365 3.805 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](CC(=O)OC(C)(C)C)CC3)oc21 ZINC000189805164 1036148062 /nfs/dbraw/zinc/14/80/62/1036148062.db2.gz MPFCCATXXPMCIB-UHFFFAOYSA-N 1 2 330.428 3.657 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000457547089 1036271449 /nfs/dbraw/zinc/27/14/49/1036271449.db2.gz ZXRQEWDTCWYXGP-KGLIPLIRSA-N 1 2 340.414 3.700 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175292463 1036288451 /nfs/dbraw/zinc/28/84/51/1036288451.db2.gz DJGMFRGITCFAFC-IRXDYDNUSA-N 1 2 329.469 3.666 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175292477 1036288664 /nfs/dbraw/zinc/28/86/64/1036288664.db2.gz DJGMFRGITCFAFC-IAGOWNOFSA-N 1 2 329.469 3.666 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000589259026 1036324869 /nfs/dbraw/zinc/32/48/69/1036324869.db2.gz SZGLQHFKPMNSHU-UHFFFAOYSA-N 1 2 328.412 3.719 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343830496 1036331585 /nfs/dbraw/zinc/33/15/85/1036331585.db2.gz BNPCHYXBAZMHGW-IUCAKERBSA-N 1 2 336.404 3.916 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326517 1036333117 /nfs/dbraw/zinc/33/31/17/1036333117.db2.gz QLPWNTTWOWXDRJ-LRDDRELGSA-N 1 2 338.854 3.606 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326517 1036333135 /nfs/dbraw/zinc/33/31/35/1036333135.db2.gz QLPWNTTWOWXDRJ-LRDDRELGSA-N 1 2 338.854 3.606 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cn1 ZINC000191282968 1036357950 /nfs/dbraw/zinc/35/79/50/1036357950.db2.gz UQBKLCJWJOCFOM-INIZCTEOSA-N 1 2 331.485 3.561 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cn1 ZINC000191282968 1036357971 /nfs/dbraw/zinc/35/79/71/1036357971.db2.gz UQBKLCJWJOCFOM-INIZCTEOSA-N 1 2 331.485 3.561 20 0 EHADLO Fc1cc(NCc2ccc(Br)o2)ccc1-n1cc[nH+]c1 ZINC000191408517 1036378914 /nfs/dbraw/zinc/37/89/14/1036378914.db2.gz IQKOINOIXOENLS-UHFFFAOYSA-N 1 2 336.164 3.979 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@H]1CCCCO1 ZINC000191426929 1036382399 /nfs/dbraw/zinc/38/23/99/1036382399.db2.gz XURCHNBIEMUABD-GFCCVEGCSA-N 1 2 348.306 3.528 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@H]1CCCCO1 ZINC000191426929 1036382420 /nfs/dbraw/zinc/38/24/20/1036382420.db2.gz XURCHNBIEMUABD-GFCCVEGCSA-N 1 2 348.306 3.528 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(C2CC2)cc1 ZINC000191626777 1036400346 /nfs/dbraw/zinc/40/03/46/1036400346.db2.gz JRFZGDISZWBOJF-UHFFFAOYSA-N 1 2 338.455 3.651 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000170880765 1036405012 /nfs/dbraw/zinc/40/50/12/1036405012.db2.gz KRIIBQDMOOUAEF-UHFFFAOYSA-N 1 2 346.862 3.695 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)s1 ZINC000191673210 1036406525 /nfs/dbraw/zinc/40/65/25/1036406525.db2.gz BKKBMBXNCPDCOU-UHFFFAOYSA-N 1 2 335.448 3.844 20 0 EHADLO Cc1c(Cl)cncc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000457757504 1036458551 /nfs/dbraw/zinc/45/85/51/1036458551.db2.gz RAVDAZYOTYPOLX-ZDUSSCGKSA-N 1 2 349.887 3.624 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000572717938 1036469414 /nfs/dbraw/zinc/46/94/14/1036469414.db2.gz LWPNNYHASLWZHI-HXUWFJFHSA-N 1 2 344.462 3.840 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000572717938 1036469424 /nfs/dbraw/zinc/46/94/24/1036469424.db2.gz LWPNNYHASLWZHI-HXUWFJFHSA-N 1 2 344.462 3.840 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457779914 1036498249 /nfs/dbraw/zinc/49/82/49/1036498249.db2.gz SCGDYXPGFGEFQM-CHWSQXEVSA-N 1 2 343.393 3.514 20 0 EHADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1nc(-c2cccs2)no1 ZINC000192354994 1036499118 /nfs/dbraw/zinc/49/91/18/1036499118.db2.gz UCVKLRBOHYIXRX-ZDUSSCGKSA-N 1 2 327.409 3.671 20 0 EHADLO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H](C)c1csnn1)CC2 ZINC000414296233 1036510866 /nfs/dbraw/zinc/51/08/66/1036510866.db2.gz GGZSORJDELIGSL-SKDRFNHKSA-N 1 2 338.274 3.947 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC000669334530 1036528452 /nfs/dbraw/zinc/52/84/52/1036528452.db2.gz HULWGHBYYBGOKK-SFHVURJKSA-N 1 2 337.467 3.791 20 0 EHADLO C[C@H]([NH2+]CCCOc1ccccc1)c1noc(Cc2ccccc2)n1 ZINC000541688853 1036559797 /nfs/dbraw/zinc/55/97/97/1036559797.db2.gz BANRIURBWZDDAL-INIZCTEOSA-N 1 2 337.423 3.780 20 0 EHADLO Cc1cc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)on1 ZINC000685904730 1036559949 /nfs/dbraw/zinc/55/99/49/1036559949.db2.gz GOCVIKKBAXCSCZ-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1cc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)on1 ZINC000685904730 1036559962 /nfs/dbraw/zinc/55/99/62/1036559962.db2.gz GOCVIKKBAXCSCZ-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1cccc(OCC[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000541688641 1036560213 /nfs/dbraw/zinc/56/02/13/1036560213.db2.gz TXTBENPYFLYCPP-MRXNPFEDSA-N 1 2 337.423 3.698 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000589598567 1036564247 /nfs/dbraw/zinc/56/42/47/1036564247.db2.gz OXWMUDFIYVQYFK-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000589598567 1036564264 /nfs/dbraw/zinc/56/42/64/1036564264.db2.gz OXWMUDFIYVQYFK-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO CCC1(CC)C[N@H+](CC(=O)Nc2ccc(F)cc2F)CCS1 ZINC000464590081 1036583679 /nfs/dbraw/zinc/58/36/79/1036583679.db2.gz ZJZUNETVIDWSHO-UHFFFAOYSA-N 1 2 328.428 3.511 20 0 EHADLO CCC1(CC)C[N@@H+](CC(=O)Nc2ccc(F)cc2F)CCS1 ZINC000464590081 1036583694 /nfs/dbraw/zinc/58/36/94/1036583694.db2.gz ZJZUNETVIDWSHO-UHFFFAOYSA-N 1 2 328.428 3.511 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000535567563 1036657471 /nfs/dbraw/zinc/65/74/71/1036657471.db2.gz SEQUGHGBUDUZNK-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000535567563 1036657482 /nfs/dbraw/zinc/65/74/82/1036657482.db2.gz SEQUGHGBUDUZNK-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057038968 1036673019 /nfs/dbraw/zinc/67/30/19/1036673019.db2.gz UODHVMKVQXODTK-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000493098612 1036684721 /nfs/dbraw/zinc/68/47/21/1036684721.db2.gz ZRMALASJQDKXPC-WAYWQWQTSA-N 1 2 336.222 3.921 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)ns1 ZINC000535576625 1036693012 /nfs/dbraw/zinc/69/30/12/1036693012.db2.gz PZHUCXBIIDAKGI-MRXNPFEDSA-N 1 2 330.501 3.591 20 0 EHADLO CN(C)c1nc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)ns1 ZINC000535576625 1036693019 /nfs/dbraw/zinc/69/30/19/1036693019.db2.gz PZHUCXBIIDAKGI-MRXNPFEDSA-N 1 2 330.501 3.591 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)s1 ZINC000541882244 1036757663 /nfs/dbraw/zinc/75/76/63/1036757663.db2.gz TUBXMAYQLYBTAU-CYBMUJFWSA-N 1 2 341.484 3.808 20 0 EHADLO COC[C@H](C)[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000462313681 1036807815 /nfs/dbraw/zinc/80/78/15/1036807815.db2.gz DDNZVINBXAOWMN-GJZGRUSLSA-N 1 2 341.455 3.744 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)nn1 ZINC000404504668 1036815427 /nfs/dbraw/zinc/81/54/27/1036815427.db2.gz KRJPWTWXBZFINZ-SNVBAGLBSA-N 1 2 349.232 3.658 20 0 EHADLO CCc1ccc([C@H](C[NH2+]C2CCC(C(=O)[O-])CC2)[NH+](CC)CC)cc1 ZINC000263389810 1036835328 /nfs/dbraw/zinc/83/53/28/1036835328.db2.gz DYUITLHCYRGGQA-MHJFOBGBSA-N 1 2 346.515 3.865 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177692523 1036914227 /nfs/dbraw/zinc/91/42/27/1036914227.db2.gz WZTROLAILFBMGN-IBGZPJMESA-N 1 2 330.447 3.538 20 0 EHADLO CCc1ccc(-c2ccc(C[NH2+]Cc3nnc4ccccn43)o2)cc1 ZINC000508654221 1036915272 /nfs/dbraw/zinc/91/52/72/1036915272.db2.gz MJTUODPHBVGKEN-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000103582961 1036949020 /nfs/dbraw/zinc/94/90/20/1036949020.db2.gz VQKNHQZYVVFGSN-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2ccccc2cc1O ZINC001625885342 1036951845 /nfs/dbraw/zinc/95/18/45/1036951845.db2.gz DNGFXPVXVXFLFG-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2Br)ncn1 ZINC000648489662 1036952196 /nfs/dbraw/zinc/95/21/96/1036952196.db2.gz AZJDUEHGWMBTGL-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000508655339 1036953420 /nfs/dbraw/zinc/95/34/20/1036953420.db2.gz WISBJANQZXDXTL-GOSISDBHSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000508655339 1036953437 /nfs/dbraw/zinc/95/34/37/1036953437.db2.gz WISBJANQZXDXTL-GOSISDBHSA-N 1 2 344.434 3.835 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@](=O)C1 ZINC000590652456 1036992730 /nfs/dbraw/zinc/99/27/30/1036992730.db2.gz AYINPRAQLNFQAL-MYYSRTQBSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@](=O)C1 ZINC000590652456 1036992747 /nfs/dbraw/zinc/99/27/47/1036992747.db2.gz AYINPRAQLNFQAL-MYYSRTQBSA-N 1 2 347.455 3.818 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728733 1037009024 /nfs/dbraw/zinc/00/90/24/1037009024.db2.gz GYJRBZUWNBSQCV-FVQBIDKESA-N 1 2 329.831 3.504 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000590700544 1037017187 /nfs/dbraw/zinc/01/71/87/1037017187.db2.gz KJOKYZUYARMOIJ-KRWDZBQOSA-N 1 2 330.453 3.685 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000590700544 1037017205 /nfs/dbraw/zinc/01/72/05/1037017205.db2.gz KJOKYZUYARMOIJ-KRWDZBQOSA-N 1 2 330.453 3.685 20 0 EHADLO O=C(c1ccccc1Cc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733521 1037033892 /nfs/dbraw/zinc/03/38/92/1037033892.db2.gz WQBWVYNFNHUSFT-HXUWFJFHSA-N 1 2 345.446 3.951 20 0 EHADLO CCCc1sc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1CC ZINC000590735230 1037037818 /nfs/dbraw/zinc/03/78/18/1037037818.db2.gz QCSJNNHRZSMFGH-OAHLLOKOSA-N 1 2 331.485 3.937 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590845510 1037079799 /nfs/dbraw/zinc/07/97/99/1037079799.db2.gz XHYCWXZJEDRGMN-XJKSGUPXSA-N 1 2 332.835 3.644 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168453722 1037080597 /nfs/dbraw/zinc/08/05/97/1037080597.db2.gz GXWRAIMTYNHQRE-UGSOOPFHSA-N 1 2 349.833 3.784 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]Cc1ccno1 ZINC000761510565 1037083805 /nfs/dbraw/zinc/08/38/05/1037083805.db2.gz KCOGHLBLAAVXPL-UHFFFAOYSA-N 1 2 337.210 3.765 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c3cccc(F)c32)c1C ZINC000761560087 1037139880 /nfs/dbraw/zinc/13/98/80/1037139880.db2.gz NWBTUIZLKUJQHX-UHFFFAOYSA-N 1 2 341.386 3.600 20 0 EHADLO CC(C)(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542181545 1037142210 /nfs/dbraw/zinc/14/22/10/1037142210.db2.gz OKYPKPJAPFKFLU-UHFFFAOYSA-N 1 2 339.483 3.880 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000666487844 1037142971 /nfs/dbraw/zinc/14/29/71/1037142971.db2.gz OVWLJVVHDBOEEA-AWEZNQCLSA-N 1 2 341.904 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000666487844 1037142983 /nfs/dbraw/zinc/14/29/83/1037142983.db2.gz OVWLJVVHDBOEEA-AWEZNQCLSA-N 1 2 341.904 3.756 20 0 EHADLO CCC(C)(C)CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000465128513 1037157893 /nfs/dbraw/zinc/15/78/93/1037157893.db2.gz PFJORRHECYFUQH-SFHVURJKSA-N 1 2 346.515 3.562 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)o1 ZINC000539763608 1037162178 /nfs/dbraw/zinc/16/21/78/1037162178.db2.gz ULRYFSLLVGCPDY-HNNXBMFYSA-N 1 2 343.475 3.782 20 0 EHADLO Clc1nc2ccccc2cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000008212561 1037163111 /nfs/dbraw/zinc/16/31/11/1037163111.db2.gz QFEJMLJDOOOLHY-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000187016849 1037168525 /nfs/dbraw/zinc/16/85/25/1037168525.db2.gz XQAMGMUZIGKIGK-KRWDZBQOSA-N 1 2 345.855 3.583 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)cc1F ZINC000008214345 1037171687 /nfs/dbraw/zinc/17/16/87/1037171687.db2.gz AZYZSZOCHUVGRQ-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)cc1F ZINC000008214345 1037171698 /nfs/dbraw/zinc/17/16/98/1037171698.db2.gz AZYZSZOCHUVGRQ-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1ccc(C2(C[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CCC2)cc1 ZINC000343833439 1037208065 /nfs/dbraw/zinc/20/80/65/1037208065.db2.gz OLQDYWTYKTVAJA-LJQANCHMSA-N 1 2 348.450 3.614 20 0 EHADLO CCCC1(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCC1 ZINC000468521548 1037214033 /nfs/dbraw/zinc/21/40/33/1037214033.db2.gz DOMYYEOKWRYJOI-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000152520832 1037215135 /nfs/dbraw/zinc/21/51/35/1037215135.db2.gz SJBDVGWTUXWRRQ-ZUTJFNBJSA-N 1 2 336.838 3.697 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000152520832 1037215154 /nfs/dbraw/zinc/21/51/54/1037215154.db2.gz SJBDVGWTUXWRRQ-ZUTJFNBJSA-N 1 2 336.838 3.697 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000591182343 1037267225 /nfs/dbraw/zinc/26/72/25/1037267225.db2.gz XFIRQBIYEGQXIO-UHFFFAOYSA-N 1 2 331.419 3.873 20 0 EHADLO COCc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187286426 1037285602 /nfs/dbraw/zinc/28/56/02/1037285602.db2.gz ZWDXHLCSBHCRIE-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO COCc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187286426 1037285614 /nfs/dbraw/zinc/28/56/14/1037285614.db2.gz ZWDXHLCSBHCRIE-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)n1 ZINC000376502863 1037309730 /nfs/dbraw/zinc/30/97/30/1037309730.db2.gz RBTHLCLAHJGPKI-KXBFYZLASA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)n1 ZINC000376502863 1037309751 /nfs/dbraw/zinc/30/97/51/1037309751.db2.gz RBTHLCLAHJGPKI-KXBFYZLASA-N 1 2 348.450 3.947 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC(Cc3nccs3)CC2)c(C)[nH+]1 ZINC000640141548 1037311025 /nfs/dbraw/zinc/31/10/25/1037311025.db2.gz PFOQLYGGKXHALI-UHFFFAOYSA-N 1 2 344.484 3.950 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591385239 1037362331 /nfs/dbraw/zinc/36/23/31/1037362331.db2.gz UKYDOWBQSRCYFH-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591385239 1037362344 /nfs/dbraw/zinc/36/23/44/1037362344.db2.gz UKYDOWBQSRCYFH-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO CS[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301288064 1037376841 /nfs/dbraw/zinc/37/68/41/1037376841.db2.gz NPZONZYXXBCBNW-UKRRQHHQSA-N 1 2 339.468 3.902 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000088549218 1037385318 /nfs/dbraw/zinc/38/53/18/1037385318.db2.gz IJCJBNYFEMAAOY-MRXNPFEDSA-N 1 2 344.455 3.753 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000088549218 1037385335 /nfs/dbraw/zinc/38/53/35/1037385335.db2.gz IJCJBNYFEMAAOY-MRXNPFEDSA-N 1 2 344.455 3.753 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000007047842 1037386223 /nfs/dbraw/zinc/38/62/23/1037386223.db2.gz SBLVPMNDFRPFNG-LLVKDONJSA-N 1 2 330.457 3.612 20 0 EHADLO Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(N(C)C)[nH+]1 ZINC000152621803 1037398418 /nfs/dbraw/zinc/39/84/18/1037398418.db2.gz MMJGUCPSYAZKQF-UHFFFAOYSA-N 1 2 343.189 3.549 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591457714 1037416266 /nfs/dbraw/zinc/41/62/66/1037416266.db2.gz GXMHNOKAHUZJQZ-SFHVURJKSA-N 1 2 341.455 3.555 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000573262254 1037433791 /nfs/dbraw/zinc/43/37/91/1037433791.db2.gz VRQSVDBVYKMPAK-QGZVFWFLSA-N 1 2 332.492 3.793 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl)c1cscn1 ZINC000573339236 1037451277 /nfs/dbraw/zinc/45/12/77/1037451277.db2.gz JTCGAKFQIANQEJ-GHMZBOCLSA-N 1 2 333.848 3.789 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000532474768 1037461536 /nfs/dbraw/zinc/46/15/36/1037461536.db2.gz ZZQHPHYLPRUJTA-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000532474768 1037461543 /nfs/dbraw/zinc/46/15/43/1037461543.db2.gz ZZQHPHYLPRUJTA-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO CC(C)C1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000573323865 1037464345 /nfs/dbraw/zinc/46/43/45/1037464345.db2.gz HORGMGIMGOGFBQ-CYBMUJFWSA-N 1 2 336.505 3.685 20 0 EHADLO CC(C)C1(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000573323865 1037464355 /nfs/dbraw/zinc/46/43/55/1037464355.db2.gz HORGMGIMGOGFBQ-CYBMUJFWSA-N 1 2 336.505 3.685 20 0 EHADLO Cn1ccc2c1cccc2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591511476 1037483514 /nfs/dbraw/zinc/48/35/14/1037483514.db2.gz QFABCYWMKZNEQW-UHFFFAOYSA-N 1 2 337.427 3.587 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000177352499 1037490811 /nfs/dbraw/zinc/49/08/11/1037490811.db2.gz UKGQREPTEYOTGS-AWEZNQCLSA-N 1 2 346.780 3.720 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000491479031 1037501811 /nfs/dbraw/zinc/50/18/11/1037501811.db2.gz OQAGIRDNIADEGC-IYXSFGJNSA-N 1 2 325.412 3.546 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000613544512 1037525373 /nfs/dbraw/zinc/52/53/73/1037525373.db2.gz GWEPOWCTYHVUCG-LLVKDONJSA-N 1 2 340.901 3.982 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000493645528 1037527538 /nfs/dbraw/zinc/52/75/38/1037527538.db2.gz DYZZBZDCXIDJIG-OSDZFNQISA-N 1 2 327.453 3.969 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000493647599 1037528730 /nfs/dbraw/zinc/52/87/30/1037528730.db2.gz QVDYCBMINJDFPY-BQYQJAHWSA-N 1 2 335.329 3.633 20 0 EHADLO Cc1cc([C@H]2CCCN2C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000491519025 1037534501 /nfs/dbraw/zinc/53/45/01/1037534501.db2.gz GPMUZYOAWAHBSL-AHKGRUIUSA-N 1 2 348.406 3.546 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000669857213 1037562548 /nfs/dbraw/zinc/56/25/48/1037562548.db2.gz BUWGGJCSBDGCAF-MRXNPFEDSA-N 1 2 329.488 3.612 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000347371476 1037569627 /nfs/dbraw/zinc/56/96/27/1037569627.db2.gz BTUOYKVULLIXGI-JKSUJKDBSA-N 1 2 347.256 3.751 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000347371476 1037569639 /nfs/dbraw/zinc/56/96/39/1037569639.db2.gz BTUOYKVULLIXGI-JKSUJKDBSA-N 1 2 347.256 3.751 20 0 EHADLO CC(C)N(Cc1cccc(Br)c1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493726148 1037584523 /nfs/dbraw/zinc/58/45/23/1037584523.db2.gz PHNRQHPXXWFJKJ-SREVYHEPSA-N 1 2 348.244 3.623 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)C1(c2ccc(F)cc2F)CCC1 ZINC000152729858 1037609120 /nfs/dbraw/zinc/60/91/20/1037609120.db2.gz SWOOQXCBPDRUFH-UHFFFAOYSA-N 1 2 337.757 3.578 20 0 EHADLO C[C@@]1(Cc2cccs2)CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914308018 1037612162 /nfs/dbraw/zinc/61/21/62/1037612162.db2.gz KZFBXJXLRPCHHK-SFHVURJKSA-N 1 2 346.500 3.532 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)no1 ZINC000027227300 1037627494 /nfs/dbraw/zinc/62/74/94/1037627494.db2.gz DFLMPQYWAVWCHH-LJQANCHMSA-N 1 2 347.418 3.569 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)no1 ZINC000027227300 1037627505 /nfs/dbraw/zinc/62/75/05/1037627505.db2.gz DFLMPQYWAVWCHH-LJQANCHMSA-N 1 2 347.418 3.569 20 0 EHADLO COC(=O)C[C@@H]1CC[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@@H]1C ZINC000463004985 1037634144 /nfs/dbraw/zinc/63/41/44/1037634144.db2.gz BXWFYVPNIWATKI-ACWOFJMJSA-N 1 2 341.455 3.879 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811108 1037652224 /nfs/dbraw/zinc/65/22/24/1037652224.db2.gz OBEAHHQEGRFXEI-KXBFYZLASA-N 1 2 349.434 3.860 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811108 1037652227 /nfs/dbraw/zinc/65/22/27/1037652227.db2.gz OBEAHHQEGRFXEI-KXBFYZLASA-N 1 2 349.434 3.860 20 0 EHADLO CC(C)(CC(=O)NCCn1c[nH+]cc1-c1ccccc1)CC(F)F ZINC000913712181 1037658931 /nfs/dbraw/zinc/65/89/31/1037658931.db2.gz FEKJNNNOTUTUPL-UHFFFAOYSA-N 1 2 335.398 3.738 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463027260 1037659400 /nfs/dbraw/zinc/65/94/00/1037659400.db2.gz DCPORFBBDQHWIZ-MOPGFXCFSA-N 1 2 332.488 3.836 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650696 1037670796 /nfs/dbraw/zinc/67/07/96/1037670796.db2.gz VVFSHHZFPJKXJI-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650696 1037670802 /nfs/dbraw/zinc/67/08/02/1037670802.db2.gz VVFSHHZFPJKXJI-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132578 1037684958 /nfs/dbraw/zinc/68/49/58/1037684958.db2.gz BZCRURZJQXBLMN-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132578 1037684972 /nfs/dbraw/zinc/68/49/72/1037684972.db2.gz BZCRURZJQXBLMN-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000573814829 1037756894 /nfs/dbraw/zinc/75/68/94/1037756894.db2.gz VTLLCCLLOYHMBA-SCLBCKFNSA-N 1 2 329.419 3.775 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000573814829 1037756905 /nfs/dbraw/zinc/75/69/05/1037756905.db2.gz VTLLCCLLOYHMBA-SCLBCKFNSA-N 1 2 329.419 3.775 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378077160 1037826722 /nfs/dbraw/zinc/82/67/22/1037826722.db2.gz MPOONTYHHFEOOV-UHFFFAOYSA-N 1 2 329.469 3.930 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378077160 1037826742 /nfs/dbraw/zinc/82/67/42/1037826742.db2.gz MPOONTYHHFEOOV-UHFFFAOYSA-N 1 2 329.469 3.930 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2C1 ZINC000378085085 1037847119 /nfs/dbraw/zinc/84/71/19/1037847119.db2.gz NGQCOKLYUQGKGL-GFCCVEGCSA-N 1 2 329.469 3.616 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2C1 ZINC000378085085 1037847137 /nfs/dbraw/zinc/84/71/37/1037847137.db2.gz NGQCOKLYUQGKGL-GFCCVEGCSA-N 1 2 329.469 3.616 20 0 EHADLO O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000117614390 1037857166 /nfs/dbraw/zinc/85/71/66/1037857166.db2.gz MHEIHHJUPPMQDS-HNNXBMFYSA-N 1 2 333.391 3.767 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084653 1037864233 /nfs/dbraw/zinc/86/42/33/1037864233.db2.gz MJGDXSKDYVQGHP-KRWDZBQOSA-N 1 2 329.469 3.687 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084653 1037864239 /nfs/dbraw/zinc/86/42/39/1037864239.db2.gz MJGDXSKDYVQGHP-KRWDZBQOSA-N 1 2 329.469 3.687 20 0 EHADLO CC[N@H+](CCSC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592202983 1037883827 /nfs/dbraw/zinc/88/38/27/1037883827.db2.gz VCLLLEAQJNGDGU-UHFFFAOYSA-N 1 2 329.828 3.714 20 0 EHADLO CC[N@@H+](CCSC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592202983 1037883844 /nfs/dbraw/zinc/88/38/44/1037883844.db2.gz VCLLLEAQJNGDGU-UHFFFAOYSA-N 1 2 329.828 3.714 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc(OC(F)F)c1 ZINC000271460668 1037905954 /nfs/dbraw/zinc/90/59/54/1037905954.db2.gz KEHPOVAVAQCUOC-MEBBXXQBSA-N 1 2 343.320 3.950 20 0 EHADLO CC(C)CCc1nc(C[NH+]2CCC(N3CCCCC3=O)CC2)cs1 ZINC000120426470 1037939233 /nfs/dbraw/zinc/93/92/33/1037939233.db2.gz ZQJLDGPNIRGSDC-UHFFFAOYSA-N 1 2 349.544 3.709 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(F)c2cccnc12 ZINC000463251228 1037950351 /nfs/dbraw/zinc/95/03/51/1037950351.db2.gz SKTXIOXCSXQXAA-UHFFFAOYSA-N 1 2 338.361 3.917 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)c1 ZINC000540459614 1037958127 /nfs/dbraw/zinc/95/81/27/1037958127.db2.gz NTUXEELLWRLNBC-ZDUSSCGKSA-N 1 2 330.403 3.686 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)CC(C)(C)C)c(=S)n2C)cc1 ZINC000151943784 1037962413 /nfs/dbraw/zinc/96/24/13/1037962413.db2.gz GZECEHNXYGBQLM-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)CC(C)(C)C)c(=S)n2C)cc1 ZINC000151943784 1037962431 /nfs/dbraw/zinc/96/24/31/1037962431.db2.gz GZECEHNXYGBQLM-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121387047 1037963346 /nfs/dbraw/zinc/96/33/46/1037963346.db2.gz REJLZLVLPDYMLD-KRWDZBQOSA-N 1 2 346.452 3.627 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121387047 1037963358 /nfs/dbraw/zinc/96/33/58/1037963358.db2.gz REJLZLVLPDYMLD-KRWDZBQOSA-N 1 2 346.452 3.627 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCOC[C@@H]2C)on1 ZINC000272133685 1037971036 /nfs/dbraw/zinc/97/10/36/1037971036.db2.gz AVPILPGYUVKRKQ-AWEZNQCLSA-N 1 2 338.407 3.724 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCOC[C@@H]2C)on1 ZINC000272133685 1037971055 /nfs/dbraw/zinc/97/10/55/1037971055.db2.gz AVPILPGYUVKRKQ-AWEZNQCLSA-N 1 2 338.407 3.724 20 0 EHADLO C[C@@H](c1cnccn1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000184418114 1038037465 /nfs/dbraw/zinc/03/74/65/1038037465.db2.gz BYABLFSGWUFAPT-GJZGRUSLSA-N 1 2 330.863 3.570 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180284633 1038119167 /nfs/dbraw/zinc/11/91/67/1038119167.db2.gz WFGGNTBQLSILJX-PXAZEXFGSA-N 1 2 333.407 3.937 20 0 EHADLO COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000106622491 1038158670 /nfs/dbraw/zinc/15/86/70/1038158670.db2.gz WPTXNIGDPCBAEM-RTBURBONSA-N 1 2 333.391 3.623 20 0 EHADLO CC(=O)c1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000106627323 1038160015 /nfs/dbraw/zinc/16/00/15/1038160015.db2.gz IUQMEUMVAWMHQV-UHFFFAOYSA-N 1 2 329.356 3.528 20 0 EHADLO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1nc2ccccc2n1C ZINC000124274587 1038161721 /nfs/dbraw/zinc/16/17/21/1038161721.db2.gz FEYFBKJMHIIKOU-LBPRGKRZSA-N 1 2 339.830 3.725 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124923630 1038255147 /nfs/dbraw/zinc/25/51/47/1038255147.db2.gz RONRGDYPPAHMNJ-UHFFFAOYSA-N 1 2 332.492 3.564 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000043325147 1038306575 /nfs/dbraw/zinc/30/65/75/1038306575.db2.gz NQINBACEEZKKMF-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Cc1ccc(F)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000043351309 1038309969 /nfs/dbraw/zinc/30/99/69/1038309969.db2.gz FOWCSCBUSZHRHZ-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125353724 1038315706 /nfs/dbraw/zinc/31/57/06/1038315706.db2.gz ZPLXBLPLDGIBLL-AWEZNQCLSA-N 1 2 331.847 3.579 20 0 EHADLO COc1cc(C[N@@H+]2CCOCC2(C)C)ccc1OCc1ccccc1 ZINC000511540326 1038362009 /nfs/dbraw/zinc/36/20/09/1038362009.db2.gz ZNKOXVOKCIRVGC-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO COc1cc(C[N@H+]2CCOCC2(C)C)ccc1OCc1ccccc1 ZINC000511540326 1038362018 /nfs/dbraw/zinc/36/20/18/1038362018.db2.gz ZNKOXVOKCIRVGC-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO C[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000538528713 1038362312 /nfs/dbraw/zinc/36/23/12/1038362312.db2.gz XACHILGWSSAWEY-KRWDZBQOSA-N 1 2 348.450 3.882 20 0 EHADLO O=C(NC1CCC(c2ccccc2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538649892 1038454720 /nfs/dbraw/zinc/45/47/20/1038454720.db2.gz LNQNZFKCKLTJAX-UHFFFAOYSA-N 1 2 346.434 3.724 20 0 EHADLO C[C@H]1OCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H]1C ZINC000538727965 1038495350 /nfs/dbraw/zinc/49/53/50/1038495350.db2.gz LOKWDYPAJKSPIW-GHMZBOCLSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@H]1OCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H]1C ZINC000538727965 1038495354 /nfs/dbraw/zinc/49/53/54/1038495354.db2.gz LOKWDYPAJKSPIW-GHMZBOCLSA-N 1 2 328.239 3.878 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000538956161 1038613593 /nfs/dbraw/zinc/61/35/93/1038613593.db2.gz TVUAEHSNWXELPL-HXUWFJFHSA-N 1 2 338.426 3.704 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000538956161 1038613597 /nfs/dbraw/zinc/61/35/97/1038613597.db2.gz TVUAEHSNWXELPL-HXUWFJFHSA-N 1 2 338.426 3.704 20 0 EHADLO O=c1cc(C[NH2+]C2(c3nccs3)CCCC2)c2ccc(O)cc2o1 ZINC000182681652 1038627332 /nfs/dbraw/zinc/62/73/32/1038627332.db2.gz JILLBGQPAMHHSJ-UHFFFAOYSA-N 1 2 342.420 3.514 20 0 EHADLO C[C@H]([NH2+]Cc1nccs1)c1ccccc1I ZINC000309609525 1038680317 /nfs/dbraw/zinc/68/03/17/1038680317.db2.gz MHDRXEUZFXKVPF-VIFPVBQESA-N 1 2 344.221 3.599 20 0 EHADLO CCC[N@H+](Cc1cc(C2CC2)no1)[C@H](C)C(=O)Nc1ccccc1 ZINC000660050645 1038808906 /nfs/dbraw/zinc/80/89/06/1038808906.db2.gz LAVGVRQQLOOOIB-CQSZACIVSA-N 1 2 327.428 3.791 20 0 EHADLO CCC[N@@H+](Cc1cc(C2CC2)no1)[C@H](C)C(=O)Nc1ccccc1 ZINC000660050645 1038808929 /nfs/dbraw/zinc/80/89/29/1038808929.db2.gz LAVGVRQQLOOOIB-CQSZACIVSA-N 1 2 327.428 3.791 20 0 EHADLO CCc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)o1 ZINC000500499652 1038848616 /nfs/dbraw/zinc/84/86/16/1038848616.db2.gz QQZQBJNGNLKXIL-CQSZACIVSA-N 1 2 340.192 3.967 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)n1cc[nH+]c1 ZINC000582065703 1038852113 /nfs/dbraw/zinc/85/21/13/1038852113.db2.gz BJKMMISLXDISFA-KMFMINBZSA-N 1 2 331.847 3.940 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000668455878 1038854963 /nfs/dbraw/zinc/85/49/63/1038854963.db2.gz UJAKJLPYHQZOJM-JDGDGYACSA-N 1 2 337.467 3.614 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000462224818 1038865049 /nfs/dbraw/zinc/86/50/49/1038865049.db2.gz UDYYIQMPOMASDV-ZBFHGGJFSA-N 1 2 335.517 3.715 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000479926361 1038903703 /nfs/dbraw/zinc/90/37/03/1038903703.db2.gz IJFBYCCBXIWORF-LJQANCHMSA-N 1 2 327.472 3.637 20 0 EHADLO CCCCCN(C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@H](C)CCC ZINC000418764920 1038942406 /nfs/dbraw/zinc/94/24/06/1038942406.db2.gz OFYWSODFEVUGRA-HUUCEWRRSA-N 1 2 333.467 3.622 20 0 EHADLO Cc1c(Cl)c2ccc(F)cc2nc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168370237 1038950182 /nfs/dbraw/zinc/95/01/82/1038950182.db2.gz ZTJWOEMRJXGKBH-CYBMUJFWSA-N 1 2 349.837 3.611 20 0 EHADLO Cc1c(Cl)c2ccc(F)cc2nc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168370237 1038950200 /nfs/dbraw/zinc/95/02/00/1038950200.db2.gz ZTJWOEMRJXGKBH-CYBMUJFWSA-N 1 2 349.837 3.611 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000663818185 1038952378 /nfs/dbraw/zinc/95/23/78/1038952378.db2.gz DIOUCXFBJGNZFL-NRFANRHFSA-N 1 2 331.419 3.843 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473010445 1039067381 /nfs/dbraw/zinc/06/73/81/1039067381.db2.gz QFWLLBPYCDMCEV-JYJNAYRXSA-N 1 2 340.508 3.801 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473010445 1039067402 /nfs/dbraw/zinc/06/74/02/1039067402.db2.gz QFWLLBPYCDMCEV-JYJNAYRXSA-N 1 2 340.508 3.801 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CC2(C)C)C[C@H](C)O1 ZINC000488353083 1039114911 /nfs/dbraw/zinc/11/49/11/1039114911.db2.gz OOFPDUCOFNMXMJ-RVKKMQEKSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CC2(C)C)C[C@H](C)O1 ZINC000488353083 1039114928 /nfs/dbraw/zinc/11/49/28/1039114928.db2.gz OOFPDUCOFNMXMJ-RVKKMQEKSA-N 1 2 345.487 3.558 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)CC1CCCCC1 ZINC000155696885 1039164947 /nfs/dbraw/zinc/16/49/47/1039164947.db2.gz UUAOCPVCQZZGFX-OAHLLOKOSA-N 1 2 345.487 3.772 20 0 EHADLO CC(C)(C)OC1CC(CC(=O)Nc2ccccc2-n2cc[nH+]c2)C1 ZINC000488467261 1039208732 /nfs/dbraw/zinc/20/87/32/1039208732.db2.gz QNVGSTADZIULLN-UHFFFAOYSA-N 1 2 327.428 3.795 20 0 EHADLO O=C(OC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185801553 1039217801 /nfs/dbraw/zinc/21/78/01/1039217801.db2.gz YVMCWLIGXGEMBR-ICSRJNTNSA-N 1 2 348.402 3.807 20 0 EHADLO O=C(CCSc1[nH+]cc2ccccn21)Nc1cc(F)cc(F)c1 ZINC000488503086 1039230430 /nfs/dbraw/zinc/23/04/30/1039230430.db2.gz JEAQLPJDJXOSOY-UHFFFAOYSA-N 1 2 333.363 3.733 20 0 EHADLO CC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1ccc(Cl)s1 ZINC000061783017 1039237389 /nfs/dbraw/zinc/23/73/89/1039237389.db2.gz UTZZBADEBFMVKT-UHFFFAOYSA-N 1 2 328.909 3.918 20 0 EHADLO CC[N@@H+](CC(=O)NC1CCC(C)CC1)Cc1ccc(Cl)s1 ZINC000061783017 1039237391 /nfs/dbraw/zinc/23/73/91/1039237391.db2.gz UTZZBADEBFMVKT-UHFFFAOYSA-N 1 2 328.909 3.918 20 0 EHADLO COCCC(C)(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000363972033 1039247496 /nfs/dbraw/zinc/24/74/96/1039247496.db2.gz KIXCRZLPLJYXHY-UHFFFAOYSA-N 1 2 339.439 3.603 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000108965922 1039274756 /nfs/dbraw/zinc/27/47/56/1039274756.db2.gz ZGWCCGKBOYDELN-LBPRGKRZSA-N 1 2 327.334 3.893 20 0 EHADLO CCCCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccccc1 ZINC000488560058 1039277136 /nfs/dbraw/zinc/27/71/36/1039277136.db2.gz CEUMGBQZBNKAMJ-SJLPKXTDSA-N 1 2 340.471 3.771 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000552424338 1039287386 /nfs/dbraw/zinc/28/73/86/1039287386.db2.gz WSVATOOLPHFAQC-FGZHOGPDSA-N 1 2 349.478 3.993 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000552424338 1039287395 /nfs/dbraw/zinc/28/73/95/1039287395.db2.gz WSVATOOLPHFAQC-FGZHOGPDSA-N 1 2 349.478 3.993 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485606766 1039288860 /nfs/dbraw/zinc/28/88/60/1039288860.db2.gz JHCHPGGNQRHNIK-CWJKEVGVSA-N 1 2 349.478 3.630 20 0 EHADLO Fc1ccc([C@H]2CC[N@H+](Cc3ncc(Cl)nc3Cl)C2)cc1 ZINC001141138835 1039294854 /nfs/dbraw/zinc/29/48/54/1039294854.db2.gz ZQAAIBNMMNXWFJ-NSHDSACASA-N 1 2 326.202 3.912 20 0 EHADLO Fc1ccc([C@H]2CC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)cc1 ZINC001141138835 1039294861 /nfs/dbraw/zinc/29/48/61/1039294861.db2.gz ZQAAIBNMMNXWFJ-NSHDSACASA-N 1 2 326.202 3.912 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)oc1C ZINC000432807709 1039311511 /nfs/dbraw/zinc/31/15/11/1039311511.db2.gz FWIJSMGWRDVIKP-BWACUDIHSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)oc1C ZINC000432807709 1039311528 /nfs/dbraw/zinc/31/15/28/1039311528.db2.gz FWIJSMGWRDVIKP-BWACUDIHSA-N 1 2 349.452 3.959 20 0 EHADLO CC1(C)CC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000667315538 1039348397 /nfs/dbraw/zinc/34/83/97/1039348397.db2.gz AAEFFLHZJWZBJB-QZTJIDSGSA-N 1 2 338.455 3.600 20 0 EHADLO CCCOc1cccc2c(N3CCC(CC(=O)OC)CC3)cc[nH+]c12 ZINC000478297644 1039364164 /nfs/dbraw/zinc/36/41/64/1039364164.db2.gz BUBCREUVAGWVAW-UHFFFAOYSA-N 1 2 342.439 3.803 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000152045674 1039364811 /nfs/dbraw/zinc/36/48/11/1039364811.db2.gz LFMSYUMBQBGGJL-KZULUSFZSA-N 1 2 342.370 3.607 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000488753517 1039373988 /nfs/dbraw/zinc/37/39/88/1039373988.db2.gz ZGKZQVDLPGPGSQ-FQEVSTJZSA-N 1 2 348.450 3.785 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000488753517 1039374008 /nfs/dbraw/zinc/37/40/08/1039374008.db2.gz ZGKZQVDLPGPGSQ-FQEVSTJZSA-N 1 2 348.450 3.785 20 0 EHADLO Cn1c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nnc1-c1ccccc1 ZINC000112978633 1039414824 /nfs/dbraw/zinc/41/48/24/1039414824.db2.gz UYLYQWHMMUYBKA-UHFFFAOYSA-N 1 2 348.450 3.600 20 0 EHADLO Cn1c(C[N@H+](Cc2cccc(O)c2)CC2CC2)nnc1-c1ccccc1 ZINC000112978633 1039414832 /nfs/dbraw/zinc/41/48/32/1039414832.db2.gz UYLYQWHMMUYBKA-UHFFFAOYSA-N 1 2 348.450 3.600 20 0 EHADLO CC(C)[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000345045425 1039425431 /nfs/dbraw/zinc/42/54/31/1039425431.db2.gz UTAHWJHBGCXZCV-MOPGFXCFSA-N 1 2 346.434 3.882 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000408408088 1039442853 /nfs/dbraw/zinc/44/28/53/1039442853.db2.gz NRIPUXOURORNNH-OAHLLOKOSA-N 1 2 327.432 3.716 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000668883215 1039451530 /nfs/dbraw/zinc/45/15/30/1039451530.db2.gz WPGPKZGWZCMNAH-QUCCMNQESA-N 1 2 337.467 3.898 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cn(C4CC4)nn3)oc21 ZINC000906291886 1039453295 /nfs/dbraw/zinc/45/32/95/1039453295.db2.gz XNRZXIIJTAVOCH-GFCCVEGCSA-N 1 2 326.400 3.609 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718189 1039460071 /nfs/dbraw/zinc/46/00/71/1039460071.db2.gz CXYUFBIHULBVNZ-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718189 1039460076 /nfs/dbraw/zinc/46/00/76/1039460076.db2.gz CXYUFBIHULBVNZ-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542681 1039461436 /nfs/dbraw/zinc/46/14/36/1039461436.db2.gz DIFHKGRIEKEGPK-DOTOQJQBSA-N 1 2 341.459 3.664 20 0 EHADLO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nn(C)cc1Br ZINC000432832923 1039501971 /nfs/dbraw/zinc/50/19/71/1039501971.db2.gz ADTRHBKMJQXKAI-AWEZNQCLSA-N 1 2 336.277 3.636 20 0 EHADLO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nn(C)cc1Br ZINC000432832923 1039501984 /nfs/dbraw/zinc/50/19/84/1039501984.db2.gz ADTRHBKMJQXKAI-AWEZNQCLSA-N 1 2 336.277 3.636 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H](c2ccccc2)C2CCC2)n1 ZINC000432834843 1039512742 /nfs/dbraw/zinc/51/27/42/1039512742.db2.gz LMPXJZZQFKYIMP-INIZCTEOSA-N 1 2 334.261 3.814 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1c1cccc(F)c1 ZINC000651425156 1039537371 /nfs/dbraw/zinc/53/73/71/1039537371.db2.gz GVCBNWFERLWDCF-VLIAUNLRSA-N 1 2 341.430 3.511 20 0 EHADLO Cc1cn2cc(NC(=O)NC(C)(C)c3ccccc3F)ccc2[nH+]1 ZINC000432862393 1039561999 /nfs/dbraw/zinc/56/19/99/1039561999.db2.gz DXWFLIRUIRRFNM-UHFFFAOYSA-N 1 2 326.375 3.839 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000419187681 1039575028 /nfs/dbraw/zinc/57/50/28/1039575028.db2.gz JKPVZEJIVPHHHT-SJLPKXTDSA-N 1 2 341.476 3.558 20 0 EHADLO CCc1cc(N2CCN(c3cccc4cnccc43)C[C@H]2C)nc(C)[nH+]1 ZINC000447686986 1039633286 /nfs/dbraw/zinc/63/32/86/1039633286.db2.gz HEZNIXKQNVIIOH-OAHLLOKOSA-N 1 2 347.466 3.611 20 0 EHADLO C[C@@H](CO)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000651429817 1039687160 /nfs/dbraw/zinc/68/71/60/1039687160.db2.gz URODOYFZSKXUSI-LBPRGKRZSA-N 1 2 349.272 3.842 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000554761121 1039693416 /nfs/dbraw/zinc/69/34/16/1039693416.db2.gz MJWUSTXBLNGPPU-RDTXWAMCSA-N 1 2 335.407 3.578 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000781888106 1039705509 /nfs/dbraw/zinc/70/55/09/1039705509.db2.gz HLDUYIRESOXTFN-WDSOQIARSA-N 1 2 333.472 3.674 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000781888106 1039705515 /nfs/dbraw/zinc/70/55/15/1039705515.db2.gz HLDUYIRESOXTFN-WDSOQIARSA-N 1 2 333.472 3.674 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)cc1F ZINC000485955888 1039719479 /nfs/dbraw/zinc/71/94/79/1039719479.db2.gz ODPHFLNIRVUOHI-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)cc1F ZINC000485955888 1039719497 /nfs/dbraw/zinc/71/94/97/1039719497.db2.gz ODPHFLNIRVUOHI-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000007878742 1039731944 /nfs/dbraw/zinc/73/19/44/1039731944.db2.gz KWSPQYLSHQHGNK-ZDUSSCGKSA-N 1 2 326.465 3.795 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000007878742 1039731958 /nfs/dbraw/zinc/73/19/58/1039731958.db2.gz KWSPQYLSHQHGNK-ZDUSSCGKSA-N 1 2 326.465 3.795 20 0 EHADLO CC1(C)C[NH+](CC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000553051773 1039735510 /nfs/dbraw/zinc/73/55/10/1039735510.db2.gz AQANBPQZMIUGQZ-QGZVFWFLSA-N 1 2 348.899 3.949 20 0 EHADLO O=C(c1ccccc1Oc1ccncc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000554791492 1039736803 /nfs/dbraw/zinc/73/68/03/1039736803.db2.gz XBVTTXQSCVZIIJ-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](c2ncccc2C)C(C)C)c(N(C)C)[nH+]1 ZINC000162409473 1039799749 /nfs/dbraw/zinc/79/97/49/1039799749.db2.gz QZLCPHIPGRBRFX-INIZCTEOSA-N 1 2 341.459 3.678 20 0 EHADLO Cc1ccc(-c2nc(CNC(=O)c3c(C)cc(C)[nH+]c3C)co2)cc1 ZINC000906866721 1039800988 /nfs/dbraw/zinc/80/09/88/1039800988.db2.gz BOESZZJCSUYFPO-UHFFFAOYSA-N 1 2 335.407 3.900 20 0 EHADLO Cc1ccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1O ZINC000486066884 1039827109 /nfs/dbraw/zinc/82/71/09/1039827109.db2.gz WSFSONUXPTVIPL-UHFFFAOYSA-N 1 2 332.363 3.527 20 0 EHADLO CC[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@]2(CCOC2)O1 ZINC000553209661 1039869357 /nfs/dbraw/zinc/86/93/57/1039869357.db2.gz UQWOJIJZZWFTDI-FZKQIMNGSA-N 1 2 332.831 3.663 20 0 EHADLO Clc1ccccc1CCNc1ccccc1C[NH+]1CCOCC1 ZINC000486101038 1039878697 /nfs/dbraw/zinc/87/86/97/1039878697.db2.gz IHPXXNPKLCKNKR-UHFFFAOYSA-N 1 2 330.859 3.827 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cnc(F)cc3C)n2)ccc1F ZINC000893979173 1039918736 /nfs/dbraw/zinc/91/87/36/1039918736.db2.gz GYMKCUOSDGGWIP-LBPRGKRZSA-N 1 2 344.365 3.877 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)[C@H]2CC2(C)C)cs1 ZINC000489401466 1039942424 /nfs/dbraw/zinc/94/24/24/1039942424.db2.gz JOSSGPXSMBFQKG-INIZCTEOSA-N 1 2 343.496 3.863 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)[C@H]2CC2(C)C)cs1 ZINC000489401466 1039942442 /nfs/dbraw/zinc/94/24/42/1039942442.db2.gz JOSSGPXSMBFQKG-INIZCTEOSA-N 1 2 343.496 3.863 20 0 EHADLO CC(C)(C)c1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000554938455 1039977687 /nfs/dbraw/zinc/97/76/87/1039977687.db2.gz IUGWGDHVJDOXOK-UHFFFAOYSA-N 1 2 347.890 3.943 20 0 EHADLO Cc1oc2nc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)nc(N)c2c1C ZINC000553334574 1039981340 /nfs/dbraw/zinc/98/13/40/1039981340.db2.gz SJWSGAIRCFLMBN-UHFFFAOYSA-N 1 2 342.830 3.854 20 0 EHADLO Cc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cnc1C(F)(F)F ZINC000912578009 1040009062 /nfs/dbraw/zinc/00/90/62/1040009062.db2.gz PQUWKJVHWWRUGF-CYBMUJFWSA-N 1 2 340.349 3.831 20 0 EHADLO COCC[N@H+](Cc1nc(C2CCCCC2)cs1)[C@H]1CCO[C@H]1C ZINC000489503695 1040028187 /nfs/dbraw/zinc/02/81/87/1040028187.db2.gz VJOUPRIIIRLKFA-YOEHRIQHSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1nc(C2CCCCC2)cs1)[C@H]1CCO[C@H]1C ZINC000489503695 1040028203 /nfs/dbraw/zinc/02/82/03/1040028203.db2.gz VJOUPRIIIRLKFA-YOEHRIQHSA-N 1 2 338.517 3.817 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907422828 1040051927 /nfs/dbraw/zinc/05/19/27/1040051927.db2.gz YMFJPQCSRCIROO-ZDUSSCGKSA-N 1 2 328.460 3.758 20 0 EHADLO Cc1cc(NCc2cc(C)[nH+]c3c2CCCC3)cc(OCCO)c1 ZINC000894080623 1040062619 /nfs/dbraw/zinc/06/26/19/1040062619.db2.gz XZHYJLWGKMVAKR-UHFFFAOYSA-N 1 2 326.440 3.560 20 0 EHADLO Cc1ccc(CC2C[NH+](Cc3nccn3Cc3ccccc3)C2)cc1 ZINC000668608328 1040074616 /nfs/dbraw/zinc/07/46/16/1040074616.db2.gz OQWYUCZORIOYOT-UHFFFAOYSA-N 1 2 331.463 3.914 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000512553655 1040085458 /nfs/dbraw/zinc/08/54/58/1040085458.db2.gz HLMHMPGWXZKYOH-DLBZAZTESA-N 1 2 345.487 3.876 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(OC)ns1)c1nc(C(F)(F)F)cs1 ZINC000660255304 1040110090 /nfs/dbraw/zinc/11/00/90/1040110090.db2.gz AOVYBQGSEYYDHP-MRVPVSSYSA-N 1 2 337.392 3.868 20 0 EHADLO FC(F)c1sccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000923964204 1040117545 /nfs/dbraw/zinc/11/75/45/1040117545.db2.gz QMNYKDGFPUBKKO-ONGXEEELSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1sccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000923964204 1040117554 /nfs/dbraw/zinc/11/75/54/1040117554.db2.gz QMNYKDGFPUBKKO-ONGXEEELSA-N 1 2 341.383 3.662 20 0 EHADLO CSc1ccc(Cl)c(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000667470786 1040151549 /nfs/dbraw/zinc/15/15/49/1040151549.db2.gz LERFASWUUQGWLR-UHFFFAOYSA-N 1 2 338.864 3.860 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553531758 1040152358 /nfs/dbraw/zinc/15/23/58/1040152358.db2.gz DUHGCADPHFWBBR-UONOGXRCSA-N 1 2 346.500 3.553 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553531759 1040153291 /nfs/dbraw/zinc/15/32/91/1040153291.db2.gz DUHGCADPHFWBBR-ZIAGYGMSSA-N 1 2 346.500 3.553 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cn1nccc1-c1ccncc1 ZINC000067094099 1040168640 /nfs/dbraw/zinc/16/86/40/1040168640.db2.gz JIIXSUJBIMGSBP-UHFFFAOYSA-N 1 2 342.830 3.697 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cn1nccc1-c1ccncc1 ZINC000067094099 1040168651 /nfs/dbraw/zinc/16/86/51/1040168651.db2.gz JIIXSUJBIMGSBP-UHFFFAOYSA-N 1 2 342.830 3.697 20 0 EHADLO CSC(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810977 1040177574 /nfs/dbraw/zinc/17/75/74/1040177574.db2.gz QSTCZYAWWBQTPD-ZDUSSCGKSA-N 1 2 335.517 3.573 20 0 EHADLO CSC(C)(C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810977 1040177581 /nfs/dbraw/zinc/17/75/81/1040177581.db2.gz QSTCZYAWWBQTPD-ZDUSSCGKSA-N 1 2 335.517 3.573 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907812323 1040179994 /nfs/dbraw/zinc/17/99/94/1040179994.db2.gz XMLUNFPMDRJAAX-VFTHGPRRSA-N 1 2 341.499 3.723 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907812323 1040180007 /nfs/dbraw/zinc/18/00/07/1040180007.db2.gz XMLUNFPMDRJAAX-VFTHGPRRSA-N 1 2 341.499 3.723 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1=CCCCC1 ZINC000907813649 1040181450 /nfs/dbraw/zinc/18/14/50/1040181450.db2.gz CFYYUAWQGBYOBY-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1=CCCCC1 ZINC000907813649 1040181457 /nfs/dbraw/zinc/18/14/57/1040181457.db2.gz CFYYUAWQGBYOBY-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907812326 1040181907 /nfs/dbraw/zinc/18/19/07/1040181907.db2.gz XMLUNFPMDRJAAX-ZUOZUFPHSA-N 1 2 341.499 3.723 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907812326 1040181921 /nfs/dbraw/zinc/18/19/21/1040181921.db2.gz XMLUNFPMDRJAAX-ZUOZUFPHSA-N 1 2 341.499 3.723 20 0 EHADLO CCCn1nccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000667477571 1040188925 /nfs/dbraw/zinc/18/89/25/1040188925.db2.gz JROMEPDDHNVWCL-UHFFFAOYSA-N 1 2 346.450 3.671 20 0 EHADLO CCCn1nccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000667477571 1040188931 /nfs/dbraw/zinc/18/89/31/1040188931.db2.gz JROMEPDDHNVWCL-UHFFFAOYSA-N 1 2 346.450 3.671 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@@H]1C ZINC000432928602 1040200436 /nfs/dbraw/zinc/20/04/36/1040200436.db2.gz SXKSAHQVNAGKAE-GXSJLCMTSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@@H]1C ZINC000432928602 1040200451 /nfs/dbraw/zinc/20/04/51/1040200451.db2.gz SXKSAHQVNAGKAE-GXSJLCMTSA-N 1 2 334.218 3.764 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000480964780 1040214083 /nfs/dbraw/zinc/21/40/83/1040214083.db2.gz ADVCHTFAWCKLRQ-GFCCVEGCSA-N 1 2 328.428 3.511 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000480964780 1040214095 /nfs/dbraw/zinc/21/40/95/1040214095.db2.gz ADVCHTFAWCKLRQ-GFCCVEGCSA-N 1 2 328.428 3.511 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)CCc2c(F)cccc2F)c1C ZINC000645773874 1040218338 /nfs/dbraw/zinc/21/83/38/1040218338.db2.gz DQQKREDUYACIDG-UHFFFAOYSA-N 1 2 332.394 3.695 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)CCc2c(F)cccc2F)c1C ZINC000645773874 1040218345 /nfs/dbraw/zinc/21/83/45/1040218345.db2.gz DQQKREDUYACIDG-UHFFFAOYSA-N 1 2 332.394 3.695 20 0 EHADLO CC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)c1ccccc1 ZINC000489879887 1040218395 /nfs/dbraw/zinc/21/83/95/1040218395.db2.gz CZCQQRRUSOTOBG-IBGZPJMESA-N 1 2 348.450 3.754 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)NCc2cccc(Cl)c2)C2CC2)o1 ZINC000051967289 1040225612 /nfs/dbraw/zinc/22/56/12/1040225612.db2.gz UVBXOBXGDXPODU-UHFFFAOYSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)NCc2cccc(Cl)c2)C2CC2)o1 ZINC000051967289 1040225625 /nfs/dbraw/zinc/22/56/25/1040225625.db2.gz UVBXOBXGDXPODU-UHFFFAOYSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967253 1040226639 /nfs/dbraw/zinc/22/66/39/1040226639.db2.gz NLGGPZICVYIOSR-OAHLLOKOSA-N 1 2 344.430 3.911 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967253 1040226655 /nfs/dbraw/zinc/22/66/55/1040226655.db2.gz NLGGPZICVYIOSR-OAHLLOKOSA-N 1 2 344.430 3.911 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000417824417 1040248173 /nfs/dbraw/zinc/24/81/73/1040248173.db2.gz LRPRGDMSIVHKJJ-OAHLLOKOSA-N 1 2 335.835 3.726 20 0 EHADLO CCC/C=C/[C@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000907934619 1040249632 /nfs/dbraw/zinc/24/96/32/1040249632.db2.gz LAHBXRLVMXTMKB-AJOBCWHBSA-N 1 2 339.439 3.542 20 0 EHADLO CC(C)Oc1ccccc1-c1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000899258595 1040250299 /nfs/dbraw/zinc/25/02/99/1040250299.db2.gz QRXADTCUBYFBKU-GASCZTMLSA-N 1 2 330.428 3.738 20 0 EHADLO CC(C)Oc1ccccc1-c1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000899258595 1040250317 /nfs/dbraw/zinc/25/03/17/1040250317.db2.gz QRXADTCUBYFBKU-GASCZTMLSA-N 1 2 330.428 3.738 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000667493509 1040270990 /nfs/dbraw/zinc/27/09/90/1040270990.db2.gz USQMVSNDIBVEAF-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000667493509 1040271000 /nfs/dbraw/zinc/27/10/00/1040271000.db2.gz USQMVSNDIBVEAF-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1C ZINC000490027969 1040295321 /nfs/dbraw/zinc/29/53/21/1040295321.db2.gz CAZLFLOWRQHDGZ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000490027969 1040295340 /nfs/dbraw/zinc/29/53/40/1040295340.db2.gz CAZLFLOWRQHDGZ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC000246639714 1040379926 /nfs/dbraw/zinc/37/99/26/1040379926.db2.gz WRSDVJCVFJXNFQ-LQAWEQHXSA-N 1 2 339.407 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC000246639714 1040379942 /nfs/dbraw/zinc/37/99/42/1040379942.db2.gz WRSDVJCVFJXNFQ-LQAWEQHXSA-N 1 2 339.407 3.522 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224501 1040406041 /nfs/dbraw/zinc/40/60/41/1040406041.db2.gz NFEASYPBTOWCGX-HZPDHXFCSA-N 1 2 339.430 3.588 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224501 1040406056 /nfs/dbraw/zinc/40/60/56/1040406056.db2.gz NFEASYPBTOWCGX-HZPDHXFCSA-N 1 2 339.430 3.588 20 0 EHADLO CCC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000411124807 1040458801 /nfs/dbraw/zinc/45/88/01/1040458801.db2.gz XFROERQGFNCBMF-FQEVSTJZSA-N 1 2 344.499 3.608 20 0 EHADLO CC[C@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1ccn(C)n1 ZINC000490311772 1040491261 /nfs/dbraw/zinc/49/12/61/1040491261.db2.gz AXHSJNPWWQQJJC-INIZCTEOSA-N 1 2 330.476 3.871 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@](=O)C[C@H](C)C3)o2)cc1 ZINC000433027216 1040492023 /nfs/dbraw/zinc/49/20/23/1040492023.db2.gz JYUUGIXDJNXGOK-CMJOXMDJSA-N 1 2 331.481 3.709 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@](=O)C[C@H](C)C3)o2)cc1 ZINC000433027216 1040492037 /nfs/dbraw/zinc/49/20/37/1040492037.db2.gz JYUUGIXDJNXGOK-CMJOXMDJSA-N 1 2 331.481 3.709 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000555377946 1040503244 /nfs/dbraw/zinc/50/32/44/1040503244.db2.gz QMVPBVXTNIXFOA-UHFFFAOYSA-N 1 2 336.439 3.824 20 0 EHADLO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000912985964 1040505326 /nfs/dbraw/zinc/50/53/26/1040505326.db2.gz OLNAOMCRDVWDAW-UHFFFAOYSA-N 1 2 339.361 3.656 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000913015677 1040533367 /nfs/dbraw/zinc/53/33/67/1040533367.db2.gz SUHXTJQSMXBZBL-WHLNPGIBSA-N 1 2 344.842 3.852 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000473468093 1040553805 /nfs/dbraw/zinc/55/38/05/1040553805.db2.gz CDBZVJIXXUKMRI-ILXRZTDVSA-N 1 2 344.434 3.587 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(-c2ccco2)cc1F ZINC000490488227 1040560628 /nfs/dbraw/zinc/56/06/28/1040560628.db2.gz YHVONDBNDGBBBV-UHFFFAOYSA-N 1 2 340.358 3.714 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccccc1SCc1ccco1 ZINC000645083781 1040563014 /nfs/dbraw/zinc/56/30/14/1040563014.db2.gz VSSRTEQMCGNCAU-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000827985321 1040591320 /nfs/dbraw/zinc/59/13/20/1040591320.db2.gz IZKFAYHZILUDFR-AEFFLSMTSA-N 1 2 329.488 3.653 20 0 EHADLO C[C@@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000411242460 1040599360 /nfs/dbraw/zinc/59/93/60/1040599360.db2.gz ROUBBBBAFQREJB-NSHDSACASA-N 1 2 331.432 3.605 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC=CC34CCCC4)cn2c1 ZINC000913200069 1040643925 /nfs/dbraw/zinc/64/39/25/1040643925.db2.gz PQGFDRQOAFMCNW-UHFFFAOYSA-N 1 2 341.480 3.587 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+](Cc2ccccc2F)C2CC2)n1 ZINC000600106659 1040653425 /nfs/dbraw/zinc/65/34/25/1040653425.db2.gz FLIPXLOVRHAQIR-UHFFFAOYSA-N 1 2 328.387 3.562 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+](Cc2ccccc2F)C2CC2)n1 ZINC000600106659 1040653435 /nfs/dbraw/zinc/65/34/35/1040653435.db2.gz FLIPXLOVRHAQIR-UHFFFAOYSA-N 1 2 328.387 3.562 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3c3noc(C4CC4)n3)c2c1C ZINC000645132341 1040683063 /nfs/dbraw/zinc/68/30/63/1040683063.db2.gz XYVCIOYTTORQDG-CYBMUJFWSA-N 1 2 338.415 3.567 20 0 EHADLO Brc1ccc(/C=C/C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000453318271 1040695743 /nfs/dbraw/zinc/69/57/43/1040695743.db2.gz LHTHJPATHOETNM-FAAWYNLUSA-N 1 2 332.245 3.853 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCc3nccnc3C1)CO2 ZINC000668736193 1040701414 /nfs/dbraw/zinc/70/14/14/1040701414.db2.gz VLVHITYLOXOSAK-UHFFFAOYSA-N 1 2 348.233 3.618 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCc3nccnc3C1)CO2 ZINC000668736193 1040701433 /nfs/dbraw/zinc/70/14/33/1040701433.db2.gz VLVHITYLOXOSAK-UHFFFAOYSA-N 1 2 348.233 3.618 20 0 EHADLO Cc1cc(C)c(CNc2nc(C3CC3)ncc2Br)c[nH+]1 ZINC000663987195 1040706296 /nfs/dbraw/zinc/70/62/96/1040706296.db2.gz RSRVFVJLCFLHKZ-UHFFFAOYSA-N 1 2 333.233 3.740 20 0 EHADLO Clc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)o1 ZINC000645143871 1040726424 /nfs/dbraw/zinc/72/64/24/1040726424.db2.gz NQMPDSFCLKSLGO-UHFFFAOYSA-N 1 2 341.238 3.713 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CO2)c1 ZINC000759793093 1040727227 /nfs/dbraw/zinc/72/72/27/1040727227.db2.gz LJVZCCAXAPIQMM-SJLPKXTDSA-N 1 2 348.487 3.590 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CO2)c1 ZINC000759793093 1040727239 /nfs/dbraw/zinc/72/72/39/1040727239.db2.gz LJVZCCAXAPIQMM-SJLPKXTDSA-N 1 2 348.487 3.590 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000512742574 1040751079 /nfs/dbraw/zinc/75/10/79/1040751079.db2.gz ABLHZOGQAQRIEB-GJZGRUSLSA-N 1 2 339.483 3.777 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000512742574 1040751091 /nfs/dbraw/zinc/75/10/91/1040751091.db2.gz ABLHZOGQAQRIEB-GJZGRUSLSA-N 1 2 339.483 3.777 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000512748847 1040758468 /nfs/dbraw/zinc/75/84/68/1040758468.db2.gz KSNUMRGGNLDZGO-SJLPKXTDSA-N 1 2 337.467 3.514 20 0 EHADLO CC(C)(C)C(C)(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000512758819 1040782303 /nfs/dbraw/zinc/78/23/03/1040782303.db2.gz MATGHQYDVSEKSH-HNNXBMFYSA-N 1 2 331.504 3.998 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000668759352 1040800420 /nfs/dbraw/zinc/80/04/20/1040800420.db2.gz GPSBZWIGTSXQAX-KRWDZBQOSA-N 1 2 331.847 3.750 20 0 EHADLO Cc1[nH+]c2cc(OCC(=O)Nc3sc(C)c(C)c3C)ccc2n1C ZINC000664052940 1040998468 /nfs/dbraw/zinc/99/84/68/1040998468.db2.gz HPFCHJCUBLEVGY-UHFFFAOYSA-N 1 2 343.452 3.886 20 0 EHADLO CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)[nH+]c(C)n2C ZINC000664052928 1040999380 /nfs/dbraw/zinc/99/93/80/1040999380.db2.gz HJFDTHCCZTWPHO-UHFFFAOYSA-N 1 2 337.423 3.770 20 0 EHADLO Cc1cc(F)ccc1[C@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000899736251 1041030277 /nfs/dbraw/zinc/03/02/77/1041030277.db2.gz YSFDOBNTHQTOEY-AWEZNQCLSA-N 1 2 342.393 3.764 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487698172 1041056433 /nfs/dbraw/zinc/05/64/33/1041056433.db2.gz SXPKVUSLZRWKHV-FUHWJXTLSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000586870562 1041058930 /nfs/dbraw/zinc/05/89/30/1041058930.db2.gz LLLPSKKZKGNCQN-UHFFFAOYSA-N 1 2 337.467 3.622 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487715901 1041080090 /nfs/dbraw/zinc/08/00/90/1041080090.db2.gz DPTRZBDCYOLCBQ-RTBURBONSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1nc(C[N@H+](C)CC(Cc2ccccc2)Cc2ccccc2)no1 ZINC000668798194 1041115109 /nfs/dbraw/zinc/11/51/09/1041115109.db2.gz JNRTWMOBHKZFGG-UHFFFAOYSA-N 1 2 335.451 3.911 20 0 EHADLO Cc1nc(C[N@@H+](C)CC(Cc2ccccc2)Cc2ccccc2)no1 ZINC000668798194 1041115118 /nfs/dbraw/zinc/11/51/18/1041115118.db2.gz JNRTWMOBHKZFGG-UHFFFAOYSA-N 1 2 335.451 3.911 20 0 EHADLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCCC1 ZINC000433235782 1041123937 /nfs/dbraw/zinc/12/39/37/1041123937.db2.gz VXAZCXXCZVUMIY-UHFFFAOYSA-N 1 2 325.456 3.655 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799830 1041131312 /nfs/dbraw/zinc/13/13/12/1041131312.db2.gz DYWOXRQNBIRBDX-RDTXWAMCSA-N 1 2 332.398 3.542 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799830 1041131324 /nfs/dbraw/zinc/13/13/24/1041131324.db2.gz DYWOXRQNBIRBDX-RDTXWAMCSA-N 1 2 332.398 3.542 20 0 EHADLO Cc1cc(C)c(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1Br ZINC000570932317 1041137982 /nfs/dbraw/zinc/13/79/82/1041137982.db2.gz GIRXCNSJHSIVPM-LBPRGKRZSA-N 1 2 336.233 3.852 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241329 1041144329 /nfs/dbraw/zinc/14/43/29/1041144329.db2.gz BCMNWQSHMHTKMM-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241329 1041144333 /nfs/dbraw/zinc/14/43/33/1041144333.db2.gz BCMNWQSHMHTKMM-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000759856199 1041176833 /nfs/dbraw/zinc/17/68/33/1041176833.db2.gz XWHRLAJIPJRWEK-AWEZNQCLSA-N 1 2 328.840 3.663 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000759856199 1041176842 /nfs/dbraw/zinc/17/68/42/1041176842.db2.gz XWHRLAJIPJRWEK-AWEZNQCLSA-N 1 2 328.840 3.663 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)c[nH+]1 ZINC000899820988 1041178651 /nfs/dbraw/zinc/17/86/51/1041178651.db2.gz JHHXVZOOHBQFCZ-UHFFFAOYSA-N 1 2 337.423 3.894 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC2(CCC2)O1 ZINC000571103976 1041185349 /nfs/dbraw/zinc/18/53/49/1041185349.db2.gz IQTVGXGYFVMFOJ-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC2(CCC2)O1 ZINC000571103976 1041185358 /nfs/dbraw/zinc/18/53/58/1041185358.db2.gz IQTVGXGYFVMFOJ-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000343867209 1041200351 /nfs/dbraw/zinc/20/03/51/1041200351.db2.gz OUSPEVKPJORPRC-JKSUJKDBSA-N 1 2 339.345 3.893 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H]1c1ccccn1 ZINC000571160236 1041207385 /nfs/dbraw/zinc/20/73/85/1041207385.db2.gz MEEAMQZXRMNNGD-MJGOQNOKSA-N 1 2 346.434 3.690 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000481678500 1041226289 /nfs/dbraw/zinc/22/62/89/1041226289.db2.gz QIEYXIRYDLHWIB-VXGBXAGGSA-N 1 2 331.378 3.956 20 0 EHADLO Cc1cc(C)cc(N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000433321100 1041277687 /nfs/dbraw/zinc/27/76/87/1041277687.db2.gz WVDDVSWIRGTOCM-UHFFFAOYSA-N 1 2 333.435 3.754 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)NCc1cccs1 ZINC000052077448 1041283048 /nfs/dbraw/zinc/28/30/48/1041283048.db2.gz SOFZWDUZUZIGLL-MRXNPFEDSA-N 1 2 334.872 3.855 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)NCc1cccs1 ZINC000052077448 1041283061 /nfs/dbraw/zinc/28/30/61/1041283061.db2.gz SOFZWDUZUZIGLL-MRXNPFEDSA-N 1 2 334.872 3.855 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000571428272 1041293730 /nfs/dbraw/zinc/29/37/30/1041293730.db2.gz PSVXRURCKSADDP-MAUKXSAKSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000252321665 1041302739 /nfs/dbraw/zinc/30/27/39/1041302739.db2.gz UKJYGWVSQBRPOS-CABCVRRESA-N 1 2 346.862 3.509 20 0 EHADLO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000252321665 1041302752 /nfs/dbraw/zinc/30/27/52/1041302752.db2.gz UKJYGWVSQBRPOS-CABCVRRESA-N 1 2 346.862 3.509 20 0 EHADLO CC(C)c1ccc2c(c1)CN(C(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000660435580 1041342495 /nfs/dbraw/zinc/34/24/95/1041342495.db2.gz NDTMWXBQQXIAFL-UHFFFAOYSA-N 1 2 340.471 3.555 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000052038494 1041434553 /nfs/dbraw/zinc/43/45/53/1041434553.db2.gz YXHPOQDCCSUKGY-GFCCVEGCSA-N 1 2 335.810 3.947 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000052038494 1041434556 /nfs/dbraw/zinc/43/45/56/1041434556.db2.gz YXHPOQDCCSUKGY-GFCCVEGCSA-N 1 2 335.810 3.947 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000432013884 1041457124 /nfs/dbraw/zinc/45/71/24/1041457124.db2.gz NCJYBNZQVYGZJK-UHFFFAOYSA-N 1 2 349.312 3.592 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(C)c(F)c1)CCC2 ZINC000111313348 1041546689 /nfs/dbraw/zinc/54/66/89/1041546689.db2.gz WKQNBRYVHTYFKZ-MRXNPFEDSA-N 1 2 347.459 3.847 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1)CCC2 ZINC000111313348 1041546695 /nfs/dbraw/zinc/54/66/95/1041546695.db2.gz WKQNBRYVHTYFKZ-MRXNPFEDSA-N 1 2 347.459 3.847 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000047265467 1041600342 /nfs/dbraw/zinc/60/03/42/1041600342.db2.gz YVJGAPSPQJXAMB-LBPRGKRZSA-N 1 2 330.432 3.876 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000047265467 1041600346 /nfs/dbraw/zinc/60/03/46/1041600346.db2.gz YVJGAPSPQJXAMB-LBPRGKRZSA-N 1 2 330.432 3.876 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)oc1C ZINC000292891298 1041602863 /nfs/dbraw/zinc/60/28/63/1041602863.db2.gz JGUAVUIQMFPIHS-BMIGLBTASA-N 1 2 334.441 3.941 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660548307 1041655460 /nfs/dbraw/zinc/65/54/60/1041655460.db2.gz KDUOJUCXMRMDOK-ZDUSSCGKSA-N 1 2 325.384 3.585 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660548307 1041655466 /nfs/dbraw/zinc/65/54/66/1041655466.db2.gz KDUOJUCXMRMDOK-ZDUSSCGKSA-N 1 2 325.384 3.585 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590871097 1041656885 /nfs/dbraw/zinc/65/68/85/1041656885.db2.gz NEDXWDAJPNEXDI-RTBURBONSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1nc2[nH]ccc2c(NCC[C@H](c2ccccc2)C(F)(F)F)[nH+]1 ZINC000432172215 1041683594 /nfs/dbraw/zinc/68/35/94/1041683594.db2.gz LGXFLMJPVHTZNB-CQSZACIVSA-N 1 2 334.345 3.836 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629656 1041739319 /nfs/dbraw/zinc/73/93/19/1041739319.db2.gz FCELMCJWEGDNRP-KBPBESRZSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629656 1041739327 /nfs/dbraw/zinc/73/93/27/1041739327.db2.gz FCELMCJWEGDNRP-KBPBESRZSA-N 1 2 345.393 3.566 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651606781 1041778204 /nfs/dbraw/zinc/77/82/04/1041778204.db2.gz XXAMKBSDTGACKL-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO COCC[N@H+](Cc1cc(OC)ns1)Cc1ccc(F)c(Cl)c1 ZINC000660754568 1041805689 /nfs/dbraw/zinc/80/56/89/1041805689.db2.gz RYZDIZUDOAXTLF-UHFFFAOYSA-N 1 2 344.839 3.593 20 0 EHADLO COCC[N@@H+](Cc1cc(OC)ns1)Cc1ccc(F)c(Cl)c1 ZINC000660754568 1041805700 /nfs/dbraw/zinc/80/57/00/1041805700.db2.gz RYZDIZUDOAXTLF-UHFFFAOYSA-N 1 2 344.839 3.593 20 0 EHADLO C[C@@H](CC(=O)N[C@H](COc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001126013753 1041888624 /nfs/dbraw/zinc/88/86/24/1041888624.db2.gz ZVZSKPRDPVIVHK-FXAWDEMLSA-N 1 2 349.434 3.771 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000075553025 1041938990 /nfs/dbraw/zinc/93/89/90/1041938990.db2.gz IAKNIORBHQGGBP-HNNXBMFYSA-N 1 2 334.423 3.595 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccco2)CC1 ZINC000661162647 1041976717 /nfs/dbraw/zinc/97/67/17/1041976717.db2.gz VHMCMASBXKJAGA-IBGZPJMESA-N 1 2 342.414 3.618 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC000661172243 1041986012 /nfs/dbraw/zinc/98/60/12/1041986012.db2.gz QUFYXMDBBMFHDK-OAQYLSRUSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC000661172243 1041986016 /nfs/dbraw/zinc/98/60/16/1041986016.db2.gz QUFYXMDBBMFHDK-OAQYLSRUSA-N 1 2 338.451 3.662 20 0 EHADLO CCCOc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001211665582 1042051427 /nfs/dbraw/zinc/05/14/27/1042051427.db2.gz BWLYOOWEIQNDIT-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc(C)[nH+]1 ZINC000661329829 1042068161 /nfs/dbraw/zinc/06/81/61/1042068161.db2.gz FHMICRBULKBNKD-DLBZAZTESA-N 1 2 345.487 3.624 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cc(O)ccc3C2)cc(C(F)(F)F)c1 ZINC001143514806 1042069405 /nfs/dbraw/zinc/06/94/05/1042069405.db2.gz ZISPHTJBCVUKRM-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1cc(C[N@H+]2CCc3cc(O)ccc3C2)cc(C(F)(F)F)c1 ZINC001143514806 1042069415 /nfs/dbraw/zinc/06/94/15/1042069415.db2.gz ZISPHTJBCVUKRM-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440980 1042126432 /nfs/dbraw/zinc/12/64/32/1042126432.db2.gz WAWUSINXUZDGNT-LPHOPBHVSA-N 1 2 338.451 3.902 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440980 1042126434 /nfs/dbraw/zinc/12/64/34/1042126434.db2.gz WAWUSINXUZDGNT-LPHOPBHVSA-N 1 2 338.451 3.902 20 0 EHADLO CCCOc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1F ZINC001211668493 1042129967 /nfs/dbraw/zinc/12/99/67/1042129967.db2.gz YCHNOBDQOWIDLA-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509951 1042163985 /nfs/dbraw/zinc/16/39/85/1042163985.db2.gz FFMXFLPPICCMGM-LIRRHRJNSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509951 1042163989 /nfs/dbraw/zinc/16/39/89/1042163989.db2.gz FFMXFLPPICCMGM-LIRRHRJNSA-N 1 2 344.405 3.931 20 0 EHADLO CCn1nc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c2ccccc21 ZINC000473140509 1042276677 /nfs/dbraw/zinc/27/66/77/1042276677.db2.gz DAYOKUSCUSSJTG-JOCHJYFZSA-N 1 2 347.462 3.730 20 0 EHADLO CCn1nc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c2ccccc21 ZINC000473140509 1042276682 /nfs/dbraw/zinc/27/66/82/1042276682.db2.gz DAYOKUSCUSSJTG-JOCHJYFZSA-N 1 2 347.462 3.730 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000661737245 1042291968 /nfs/dbraw/zinc/29/19/68/1042291968.db2.gz HSRACCZCWNZLTG-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000661737245 1042291974 /nfs/dbraw/zinc/29/19/74/1042291974.db2.gz HSRACCZCWNZLTG-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cn1 ZINC000661736238 1042292720 /nfs/dbraw/zinc/29/27/20/1042292720.db2.gz NRKMOMQIQJJRPA-GOSISDBHSA-N 1 2 343.446 3.639 20 0 EHADLO CN(C)c1ccc(C[N@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cn1 ZINC000661736238 1042292722 /nfs/dbraw/zinc/29/27/22/1042292722.db2.gz NRKMOMQIQJJRPA-GOSISDBHSA-N 1 2 343.446 3.639 20 0 EHADLO CC[C@H](Nc1cc(COC)cc[nH+]1)c1cc(OC)c(OC)c(OC)c1 ZINC000652331786 1042379936 /nfs/dbraw/zinc/37/99/36/1042379936.db2.gz UJHHBCMWYSXQAA-HNNXBMFYSA-N 1 2 346.427 3.817 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1OC)c1nnc2n1CCCCC2 ZINC000661942198 1042421667 /nfs/dbraw/zinc/42/16/67/1042421667.db2.gz VLDWUHVNQFWYGL-OAHLLOKOSA-N 1 2 348.878 3.907 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C)OC[C@@H]3C)c2cc1C(C)C ZINC000027642402 1042437106 /nfs/dbraw/zinc/43/71/06/1042437106.db2.gz RHZRMDYURHFUNF-GJZGRUSLSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](C)OC[C@@H]3C)c2cc1C(C)C ZINC000027642402 1042437109 /nfs/dbraw/zinc/43/71/09/1042437109.db2.gz RHZRMDYURHFUNF-GJZGRUSLSA-N 1 2 329.440 3.834 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccccc1F ZINC000661975749 1042440526 /nfs/dbraw/zinc/44/05/26/1042440526.db2.gz SHYHKJVFIATPPW-ZIAGYGMSSA-N 1 2 345.443 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccccc1F ZINC000661975749 1042440529 /nfs/dbraw/zinc/44/05/29/1042440529.db2.gz SHYHKJVFIATPPW-ZIAGYGMSSA-N 1 2 345.443 3.809 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)s1 ZINC000661995876 1042453307 /nfs/dbraw/zinc/45/33/07/1042453307.db2.gz NVMSJALUYNAYCE-UHFFFAOYSA-N 1 2 346.418 3.861 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)s1 ZINC000661995876 1042453309 /nfs/dbraw/zinc/45/33/09/1042453309.db2.gz NVMSJALUYNAYCE-UHFFFAOYSA-N 1 2 346.418 3.861 20 0 EHADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000652431778 1042473137 /nfs/dbraw/zinc/47/31/37/1042473137.db2.gz NAJVSSYFBPUQST-MOPGFXCFSA-N 1 2 337.467 3.557 20 0 EHADLO Oc1ccc(Cl)c(F)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248846063 1042528962 /nfs/dbraw/zinc/52/89/62/1042528962.db2.gz NFMYNEUHLDUYLY-LRDDRELGSA-N 1 2 338.854 3.633 20 0 EHADLO Oc1ccc(Cl)c(F)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248846063 1042528965 /nfs/dbraw/zinc/52/89/65/1042528965.db2.gz NFMYNEUHLDUYLY-LRDDRELGSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184437515 1042542573 /nfs/dbraw/zinc/54/25/73/1042542573.db2.gz RJOSPWKVOPJPHF-HOCLYGCPSA-N 1 2 331.485 3.697 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1nccs1 ZINC000184433477 1042544045 /nfs/dbraw/zinc/54/40/45/1042544045.db2.gz OPCIYLGUQSPLCS-KBXCAEBGSA-N 1 2 343.496 3.841 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1cc(C(F)(F)F)nn1C ZINC000663258456 1042607470 /nfs/dbraw/zinc/60/74/70/1042607470.db2.gz IVJZBTCVLHQWNL-UHFFFAOYSA-N 1 2 337.349 3.982 20 0 EHADLO CC[C@H](OCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223544 1042614830 /nfs/dbraw/zinc/61/48/30/1042614830.db2.gz OXRHLVYKUXQJEL-HOTGVXAUSA-N 1 2 331.378 3.808 20 0 EHADLO CC[C@H](OCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223544 1042614832 /nfs/dbraw/zinc/61/48/32/1042614832.db2.gz OXRHLVYKUXQJEL-HOTGVXAUSA-N 1 2 331.378 3.808 20 0 EHADLO COc1c(F)cccc1C[N@H+](C)Cc1cncc(Br)c1 ZINC001143523028 1042623567 /nfs/dbraw/zinc/62/35/67/1042623567.db2.gz GCZUJCXZUQXUAT-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1c(F)cccc1C[N@@H+](C)Cc1cncc(Br)c1 ZINC001143523028 1042623570 /nfs/dbraw/zinc/62/35/70/1042623570.db2.gz GCZUJCXZUQXUAT-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245879 1042629551 /nfs/dbraw/zinc/62/95/51/1042629551.db2.gz VGBRBYHEALHHMX-HNNXBMFYSA-N 1 2 344.528 3.962 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245879 1042629555 /nfs/dbraw/zinc/62/95/55/1042629555.db2.gz VGBRBYHEALHHMX-HNNXBMFYSA-N 1 2 344.528 3.962 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C)c1ccc(F)cc1 ZINC000662290213 1042660697 /nfs/dbraw/zinc/66/06/97/1042660697.db2.gz NNUVLJBVELSDJH-RBSFLKMASA-N 1 2 326.415 3.968 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C)c1ccc(F)cc1 ZINC000662290213 1042660699 /nfs/dbraw/zinc/66/06/99/1042660699.db2.gz NNUVLJBVELSDJH-RBSFLKMASA-N 1 2 326.415 3.968 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000662367847 1042692057 /nfs/dbraw/zinc/69/20/57/1042692057.db2.gz QKUJLBPLDCLPRD-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000662367847 1042692059 /nfs/dbraw/zinc/69/20/59/1042692059.db2.gz QKUJLBPLDCLPRD-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC4CC3(C)C4)cc2)cc1 ZINC000662383862 1042698241 /nfs/dbraw/zinc/69/82/41/1042698241.db2.gz HCUZEDKONAKMLX-UHFFFAOYSA-N 1 2 341.476 3.812 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC4CC3(C)C4)cc2)cc1 ZINC000662383862 1042698244 /nfs/dbraw/zinc/69/82/44/1042698244.db2.gz HCUZEDKONAKMLX-UHFFFAOYSA-N 1 2 341.476 3.812 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)cc1 ZINC000663421421 1042844489 /nfs/dbraw/zinc/84/44/89/1042844489.db2.gz OOJRMBZOCOYFJA-UHFFFAOYSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)cc1 ZINC000663421421 1042844494 /nfs/dbraw/zinc/84/44/94/1042844494.db2.gz OOJRMBZOCOYFJA-UHFFFAOYSA-N 1 2 340.471 3.563 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc(C)[nH+]1 ZINC000643241838 1042902315 /nfs/dbraw/zinc/90/23/15/1042902315.db2.gz XRQAGHKUPVQOOW-GXTWGEPZSA-N 1 2 329.366 3.571 20 0 EHADLO COc1ccccc1C[NH+]1CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000303233805 1042922454 /nfs/dbraw/zinc/92/24/54/1042922454.db2.gz YQDASONSZJHDKK-OAHLLOKOSA-N 1 2 346.421 3.852 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2s1 ZINC000344000514 1043085390 /nfs/dbraw/zinc/08/53/90/1043085390.db2.gz BIHKIURQAYYTSS-KRWDZBQOSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2s1 ZINC000344000514 1043085400 /nfs/dbraw/zinc/08/54/00/1043085400.db2.gz BIHKIURQAYYTSS-KRWDZBQOSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1cc2cc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2[nH]1 ZINC000344022544 1043108644 /nfs/dbraw/zinc/10/86/44/1043108644.db2.gz NVZYYEDDJXWAHF-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000279014641 1043201460 /nfs/dbraw/zinc/20/14/60/1043201460.db2.gz VIKIDRXAQNAHCJ-MNOVXSKESA-N 1 2 349.422 3.604 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)s1 ZINC000279028613 1043227697 /nfs/dbraw/zinc/22/76/97/1043227697.db2.gz BCGOSMNNLGIIIR-UHFFFAOYSA-N 1 2 343.496 3.623 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000279048307 1043261004 /nfs/dbraw/zinc/26/10/04/1043261004.db2.gz YGQMLRODGMMMDI-VWYCJHECSA-N 1 2 349.422 3.507 20 0 EHADLO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125966 1043301588 /nfs/dbraw/zinc/30/15/88/1043301588.db2.gz WJWCLDBLNCOVHP-HIFRSBDPSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125966 1043301595 /nfs/dbraw/zinc/30/15/95/1043301595.db2.gz WJWCLDBLNCOVHP-HIFRSBDPSA-N 1 2 328.460 3.748 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)c1cncnc1)CCO2 ZINC000344134081 1043306922 /nfs/dbraw/zinc/30/69/22/1043306922.db2.gz ODJPVIZSYYVPQP-FPOVZHCZSA-N 1 2 347.418 3.688 20 0 EHADLO CCCn1ncnc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000279109431 1043370538 /nfs/dbraw/zinc/37/05/38/1043370538.db2.gz RGKYGQGRADUSEH-IBGZPJMESA-N 1 2 338.430 3.901 20 0 EHADLO Clc1ccc2nc(NCc3cc[nH+]c(N4CCCC4)c3)cnc2c1 ZINC000623831447 1043416036 /nfs/dbraw/zinc/41/60/36/1043416036.db2.gz HLSUQZIBDRVNJS-UHFFFAOYSA-N 1 2 339.830 3.891 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)cc1C ZINC000344236362 1043498222 /nfs/dbraw/zinc/49/82/22/1043498222.db2.gz ZVONTSNELXJGID-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO CC[C@]1(C)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000344333660 1043675344 /nfs/dbraw/zinc/67/53/44/1043675344.db2.gz VFCXVRNMMBIGQB-GOSISDBHSA-N 1 2 331.485 3.525 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279281042 1043705809 /nfs/dbraw/zinc/70/58/09/1043705809.db2.gz WTVSJKPSNIWQDL-LBPRGKRZSA-N 1 2 340.452 3.570 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001137523703 1043989935 /nfs/dbraw/zinc/98/99/35/1043989935.db2.gz DZKMDXMLBUMLMI-YGRLFVJLSA-N 1 2 330.653 3.713 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cccc(C(F)F)c3)CC2)cs1 ZINC000279339959 1043973963 /nfs/dbraw/zinc/97/39/63/1043973963.db2.gz IEWYAPSKRWTQSC-UHFFFAOYSA-N 1 2 337.439 3.707 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001137523703 1043989923 /nfs/dbraw/zinc/98/99/23/1043989923.db2.gz DZKMDXMLBUMLMI-YGRLFVJLSA-N 1 2 330.653 3.713 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000247655231 1044028869 /nfs/dbraw/zinc/02/88/69/1044028869.db2.gz POLWEKDKZSLNKX-WDSOQIARSA-N 1 2 340.471 3.935 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000279458228 1044095746 /nfs/dbraw/zinc/09/57/46/1044095746.db2.gz IUTSLJSSRLSZQN-OAHLLOKOSA-N 1 2 349.276 3.695 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000279458228 1044095759 /nfs/dbraw/zinc/09/57/59/1044095759.db2.gz IUTSLJSSRLSZQN-OAHLLOKOSA-N 1 2 349.276 3.695 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc(F)ccc3F)n2)c1 ZINC000279462088 1044108053 /nfs/dbraw/zinc/10/80/53/1044108053.db2.gz JDJBZYUOWQLFCT-RYUDHWBXSA-N 1 2 343.381 3.865 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@@H](C)c2nccs2)c1 ZINC000344580653 1044141343 /nfs/dbraw/zinc/14/13/43/1044141343.db2.gz CSRVPOVKYDHZJZ-CQSZACIVSA-N 1 2 340.452 3.513 20 0 EHADLO C[C@@H]1N(C(=O)NCCCCn2cc[nH+]c2)c2ccccc2C1(C)C ZINC000663768499 1044230861 /nfs/dbraw/zinc/23/08/61/1044230861.db2.gz DMIGKMFGGFYNIO-HNNXBMFYSA-N 1 2 326.444 3.559 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000337673133 1044386226 /nfs/dbraw/zinc/38/62/26/1044386226.db2.gz KLUGRLGDXUPCCO-NRFANRHFSA-N 1 2 340.467 3.553 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000337673133 1044386242 /nfs/dbraw/zinc/38/62/42/1044386242.db2.gz KLUGRLGDXUPCCO-NRFANRHFSA-N 1 2 340.467 3.553 20 0 EHADLO COc1c(Br)cc(F)cc1Nc1cccc2[nH+]ccn21 ZINC001211706507 1044454817 /nfs/dbraw/zinc/45/48/17/1044454817.db2.gz VFWCVYTVUDEGKV-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)cc(Br)c1OC ZINC001211708291 1044479537 /nfs/dbraw/zinc/47/95/37/1044479537.db2.gz PIWPNWMBQYLBEW-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO Cc1noc(CSc2ccccc2C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000112298522 1044599315 /nfs/dbraw/zinc/59/93/15/1044599315.db2.gz BZGZDPIRDUKLDD-UHFFFAOYSA-N 1 2 340.408 3.626 20 0 EHADLO CCCC(=O)c1ncccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000663791393 1044599376 /nfs/dbraw/zinc/59/93/76/1044599376.db2.gz JXKMRZFWVHDMLQ-UHFFFAOYSA-N 1 2 340.471 3.958 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112796785 1044797245 /nfs/dbraw/zinc/79/72/45/1044797245.db2.gz QUNCXWLAHRBSJR-SUMWQHHRSA-N 1 2 331.391 3.545 20 0 EHADLO CN(Cc1cccc(Cl)c1Cl)C(=O)CCCn1cc[nH+]c1 ZINC000620409626 1125566499 /nfs/dbraw/zinc/56/64/99/1125566499.db2.gz FGZGGAWXHCPDGE-UHFFFAOYSA-N 1 2 326.227 3.629 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000153805799 1125663560 /nfs/dbraw/zinc/66/35/60/1125663560.db2.gz YIVUXVMABUMGAM-KRWDZBQOSA-N 1 2 343.471 3.536 20 0 EHADLO CC1(C)CCCC[C@H]1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000154407735 1125717595 /nfs/dbraw/zinc/71/75/95/1125717595.db2.gz GYNMVTOEPLKZEK-KRWDZBQOSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000011251319 1125738786 /nfs/dbraw/zinc/73/87/86/1125738786.db2.gz NDQDKLHHAOOSOZ-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc5c(c4)CCO5)no3)[nH]c21 ZINC000154769649 1125755291 /nfs/dbraw/zinc/75/52/91/1125755291.db2.gz PEIFNDKVQJWSRU-UHFFFAOYSA-N 1 2 346.390 3.641 20 0 EHADLO C[C@@H]([NH2+]CCCOCC1CC1)c1cc(Br)cc(F)c1O ZINC000184900908 1126708614 /nfs/dbraw/zinc/70/86/14/1126708614.db2.gz NUGHJVMNTMEVDV-SNVBAGLBSA-N 1 2 346.240 3.761 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000072514075 1126746916 /nfs/dbraw/zinc/74/69/16/1126746916.db2.gz WRBKGUVYRGRBFZ-INIZCTEOSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000072514075 1126746918 /nfs/dbraw/zinc/74/69/18/1126746918.db2.gz WRBKGUVYRGRBFZ-INIZCTEOSA-N 1 2 343.471 3.549 20 0 EHADLO CCCCn1c(SCC2CCOCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000171860766 1126767020 /nfs/dbraw/zinc/76/70/20/1126767020.db2.gz TZRPZLBXYWWAIW-OAHLLOKOSA-N 1 2 340.537 3.610 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c1 ZINC000172079623 1126780040 /nfs/dbraw/zinc/78/00/40/1126780040.db2.gz RNMVFFKKWQACSX-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c1 ZINC000172079623 1126780043 /nfs/dbraw/zinc/78/00/43/1126780043.db2.gz RNMVFFKKWQACSX-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)cs2)cc1 ZINC000072600453 1126794724 /nfs/dbraw/zinc/79/47/24/1126794724.db2.gz ONAPVEGKHBSVRX-QGZVFWFLSA-N 1 2 344.480 3.846 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3OCCO3)cs2)cc1 ZINC000072600453 1126794728 /nfs/dbraw/zinc/79/47/28/1126794728.db2.gz ONAPVEGKHBSVRX-QGZVFWFLSA-N 1 2 344.480 3.846 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@]2(c3ccccc3)CCCCC2=O)nc1 ZINC000671243510 1126816045 /nfs/dbraw/zinc/81/60/45/1126816045.db2.gz CBPFCSBVBNERNW-NRFANRHFSA-N 1 2 338.451 3.951 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)nc1 ZINC000671243510 1126816049 /nfs/dbraw/zinc/81/60/49/1126816049.db2.gz CBPFCSBVBNERNW-NRFANRHFSA-N 1 2 338.451 3.951 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000623121104 1126880061 /nfs/dbraw/zinc/88/00/61/1126880061.db2.gz QCBJXDOVPHMWHD-MRXNPFEDSA-N 1 2 348.384 3.913 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000623121104 1126880064 /nfs/dbraw/zinc/88/00/64/1126880064.db2.gz QCBJXDOVPHMWHD-MRXNPFEDSA-N 1 2 348.384 3.913 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000623273922 1126907246 /nfs/dbraw/zinc/90/72/46/1126907246.db2.gz VUPBYMUQBRLXCU-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623262845 1126907996 /nfs/dbraw/zinc/90/79/96/1126907996.db2.gz RZDXFSBAARJFSX-CQSZACIVSA-N 1 2 341.480 3.581 20 0 EHADLO Cc1ccc(NC(=O)CCCn2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000623277616 1126908420 /nfs/dbraw/zinc/90/84/20/1126908420.db2.gz XCSVUFFQJHBMDE-UHFFFAOYSA-N 1 2 341.333 3.552 20 0 EHADLO Brc1ccnc2c1C[N@H+](CCCOc1ccccc1)CC2 ZINC000623285692 1126909637 /nfs/dbraw/zinc/90/96/37/1126909637.db2.gz RJGMVAULPRNKCW-UHFFFAOYSA-N 1 2 347.256 3.671 20 0 EHADLO Brc1ccnc2c1C[N@@H+](CCCOc1ccccc1)CC2 ZINC000623285692 1126909639 /nfs/dbraw/zinc/90/96/39/1126909639.db2.gz RJGMVAULPRNKCW-UHFFFAOYSA-N 1 2 347.256 3.671 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cccnc2OC(C)C)c(F)cc1OC ZINC000623359458 1126929833 /nfs/dbraw/zinc/92/98/33/1126929833.db2.gz RZTNJOQWENSERN-UHFFFAOYSA-N 1 2 348.418 3.705 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)nc21 ZINC000623478380 1126967809 /nfs/dbraw/zinc/96/78/09/1126967809.db2.gz JNJOMJVUXMIKEK-UHFFFAOYSA-N 1 2 330.382 3.505 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]C3(c4cccc(F)c4)CCC3)nn2)cc1 ZINC000623557097 1126984621 /nfs/dbraw/zinc/98/46/21/1126984621.db2.gz KMHOCFOYEVEOMQ-UHFFFAOYSA-N 1 2 340.377 3.715 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000623574702 1126989625 /nfs/dbraw/zinc/98/96/25/1126989625.db2.gz UUGZLSANAVMYEA-LBPRGKRZSA-N 1 2 337.313 3.868 20 0 EHADLO CC(C)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177921995 1127002515 /nfs/dbraw/zinc/00/25/15/1127002515.db2.gz CHPZLPRZXTUPQQ-GOSISDBHSA-N 1 2 336.439 3.573 20 0 EHADLO Cc1oc(C2CC2)nc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000349996182 1127059710 /nfs/dbraw/zinc/05/97/10/1127059710.db2.gz UNVJSATYKHVACW-UHFFFAOYSA-N 1 2 347.378 3.822 20 0 EHADLO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000179925656 1127100519 /nfs/dbraw/zinc/10/05/19/1127100519.db2.gz BYZZKJXHBNZAEG-MAUKXSAKSA-N 1 2 348.487 3.668 20 0 EHADLO Fc1ccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)cc1Cl ZINC000180017669 1127110412 /nfs/dbraw/zinc/11/04/12/1127110412.db2.gz YOMVWJQMNGGTHT-QGZVFWFLSA-N 1 2 345.805 3.700 20 0 EHADLO C[C@@H](CC(=O)NCc1ccn2cc[nH+]c2c1)Cc1ccc(Cl)cc1 ZINC000180023596 1127110866 /nfs/dbraw/zinc/11/08/66/1127110866.db2.gz QOPPCANTCNBIPZ-CQSZACIVSA-N 1 2 341.842 3.873 20 0 EHADLO COCCOCc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000623760687 1127123773 /nfs/dbraw/zinc/12/37/73/1127123773.db2.gz MOCNGVZLCPFMIG-UHFFFAOYSA-N 1 2 343.452 3.709 20 0 EHADLO CC(C)CCCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000180129665 1127124531 /nfs/dbraw/zinc/12/45/31/1127124531.db2.gz CMVOHJXHEGMQPV-UHFFFAOYSA-N 1 2 341.546 3.847 20 0 EHADLO c1csc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c1 ZINC000180485237 1127165109 /nfs/dbraw/zinc/16/51/09/1127165109.db2.gz GTOGOQNQKRYCLZ-UHFFFAOYSA-N 1 2 344.509 3.657 20 0 EHADLO COc1ccc2cccc(Cc3noc(C[C@@H](C)n4cc[nH+]c4)n3)c2c1 ZINC000351431609 1127178047 /nfs/dbraw/zinc/17/80/47/1127178047.db2.gz VWNNMKQOMPHVFO-CQSZACIVSA-N 1 2 348.406 3.822 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351436452 1127178277 /nfs/dbraw/zinc/17/82/77/1127178277.db2.gz VHZUTVBVVVENBT-SUMWQHHRSA-N 1 2 338.411 3.547 20 0 EHADLO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000624147253 1127258207 /nfs/dbraw/zinc/25/82/07/1127258207.db2.gz XYGJDSOQFKOOQK-FHWLQOOXSA-N 1 2 342.487 3.858 20 0 EHADLO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000624134436 1127254320 /nfs/dbraw/zinc/25/43/20/1127254320.db2.gz UWNOPRXMBNNXLY-JTQLQIEISA-N 1 2 339.233 3.913 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121246 1127255618 /nfs/dbraw/zinc/25/56/18/1127255618.db2.gz RFMQMOUFTQTEHI-AEFFLSMTSA-N 1 2 326.488 3.563 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121246 1127255619 /nfs/dbraw/zinc/25/56/19/1127255619.db2.gz RFMQMOUFTQTEHI-AEFFLSMTSA-N 1 2 326.488 3.563 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000181039338 1127265022 /nfs/dbraw/zinc/26/50/22/1127265022.db2.gz OMACTZHXTDYSJM-SFHVURJKSA-N 1 2 349.862 3.933 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000181249732 1127271635 /nfs/dbraw/zinc/27/16/35/1127271635.db2.gz ZJIUSHAAGBDVAJ-UHFFFAOYSA-N 1 2 333.382 3.582 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CCO1 ZINC001142808547 1127276167 /nfs/dbraw/zinc/27/61/67/1127276167.db2.gz BIVCXQGCIUHAHV-UHFFFAOYSA-N 1 2 337.313 3.500 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CCO1 ZINC001142808547 1127276169 /nfs/dbraw/zinc/27/61/69/1127276169.db2.gz BIVCXQGCIUHAHV-UHFFFAOYSA-N 1 2 337.313 3.500 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1c(F)cccc1Cl ZINC000181763248 1127294923 /nfs/dbraw/zinc/29/49/23/1127294923.db2.gz KRZVUWNATJZRMB-VIFPVBQESA-N 1 2 342.201 3.817 20 0 EHADLO Cc1cccn2c(CNc3nnc(CC4CCCCC4)o3)c[nH+]c12 ZINC000181804809 1127297335 /nfs/dbraw/zinc/29/73/35/1127297335.db2.gz AJNDZVNCJGMEHE-UHFFFAOYSA-N 1 2 325.416 3.761 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc(F)c1F ZINC000181953682 1127304527 /nfs/dbraw/zinc/30/45/27/1127304527.db2.gz GLKXRORCILHABU-LBPRGKRZSA-N 1 2 328.366 3.611 20 0 EHADLO CC(=O)c1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000182542096 1127336604 /nfs/dbraw/zinc/33/66/04/1127336604.db2.gz NXBUVTLVQZPSDH-UHFFFAOYSA-N 1 2 342.786 3.512 20 0 EHADLO CCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1CC ZINC000182775771 1127347353 /nfs/dbraw/zinc/34/73/53/1127347353.db2.gz UCARPXJNKZRYPS-GOSISDBHSA-N 1 2 338.455 3.607 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1OC(F)F ZINC000182872792 1127351589 /nfs/dbraw/zinc/35/15/89/1127351589.db2.gz JHFFARLKPFBSOZ-ZDUSSCGKSA-N 1 2 349.381 3.693 20 0 EHADLO CC(C)Oc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182874932 1127351771 /nfs/dbraw/zinc/35/17/71/1127351771.db2.gz WEIOUWNJBFXJDG-INIZCTEOSA-N 1 2 341.455 3.879 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000182878447 1127352061 /nfs/dbraw/zinc/35/20/61/1127352061.db2.gz XACJKBGXJRPDKO-LBPRGKRZSA-N 1 2 335.810 3.884 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184468706 1127405466 /nfs/dbraw/zinc/40/54/66/1127405466.db2.gz ALGROYJNMZQGSC-LBPRGKRZSA-N 1 2 349.475 3.547 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184527140 1127407900 /nfs/dbraw/zinc/40/79/00/1127407900.db2.gz WDTZUZAZBLWBII-WMLDXEAASA-N 1 2 344.455 3.881 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cs1 ZINC000184718183 1127411960 /nfs/dbraw/zinc/41/19/60/1127411960.db2.gz IKJHVOUYIIGJKD-CQSZACIVSA-N 1 2 343.496 3.552 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)C(C)C)s1 ZINC000184995588 1127417935 /nfs/dbraw/zinc/41/79/35/1127417935.db2.gz OEOZKWTYIOQZJH-WBVHZDCISA-N 1 2 345.512 3.658 20 0 EHADLO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185069723 1127420172 /nfs/dbraw/zinc/42/01/72/1127420172.db2.gz KEBOAPTZDVXXNB-SJORKVTESA-N 1 2 345.512 3.740 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185447527 1127426433 /nfs/dbraw/zinc/42/64/33/1127426433.db2.gz OPHVRNHQXJYOPC-LJQANCHMSA-N 1 2 340.471 3.796 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3nc4ccccn4c3=S)CCC2)c(F)c1 ZINC000764134660 1127447987 /nfs/dbraw/zinc/44/79/87/1127447987.db2.gz LKXUMCLXRCEDDW-UHFFFAOYSA-N 1 2 346.406 3.770 20 0 EHADLO COc1cc(CNc2cc(C)c[nH+]c2C)cc(Br)c1O ZINC000404559989 1127455175 /nfs/dbraw/zinc/45/51/75/1127455175.db2.gz RRMDUTPOJCMIEF-UHFFFAOYSA-N 1 2 337.217 3.787 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000764629552 1127516244 /nfs/dbraw/zinc/51/62/44/1127516244.db2.gz VDPIAAHXIFXSNC-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764932112 1127554761 /nfs/dbraw/zinc/55/47/61/1127554761.db2.gz WLBRGCCHASIHMB-UHFFFAOYSA-N 1 2 348.516 3.867 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764932112 1127554765 /nfs/dbraw/zinc/55/47/65/1127554765.db2.gz WLBRGCCHASIHMB-UHFFFAOYSA-N 1 2 348.516 3.867 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765032463 1127565463 /nfs/dbraw/zinc/56/54/63/1127565463.db2.gz VZZCYQIFCRWZQJ-QWHCGFSZSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765032463 1127565465 /nfs/dbraw/zinc/56/54/65/1127565465.db2.gz VZZCYQIFCRWZQJ-QWHCGFSZSA-N 1 2 334.464 3.928 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000765316855 1127596008 /nfs/dbraw/zinc/59/60/08/1127596008.db2.gz XMGUCPHZCWFDLV-LFAOLKIESA-N 1 2 344.455 3.806 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 ZINC000765316801 1127596337 /nfs/dbraw/zinc/59/63/37/1127596337.db2.gz WFHJNEYQDIEADI-LLYBFZRZSA-N 1 2 344.455 3.806 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1)c1ccc2ccccc2c1 ZINC000542650721 1127636205 /nfs/dbraw/zinc/63/62/05/1127636205.db2.gz SULDHSJIDIVDTI-ILXRZTDVSA-N 1 2 337.423 3.744 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc3ccccc3n1C)CCC2 ZINC000171974929 1127643829 /nfs/dbraw/zinc/64/38/29/1127643829.db2.gz IQFXTAPCGKCRTN-MRXNPFEDSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1nc3ccccc3n1C)CCC2 ZINC000171974929 1127643833 /nfs/dbraw/zinc/64/38/33/1127643833.db2.gz IQFXTAPCGKCRTN-MRXNPFEDSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3cccs3)nc(=O)c2c1C ZINC000016586812 1127664117 /nfs/dbraw/zinc/66/41/17/1127664117.db2.gz XNINBHZFUFRLRI-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3cccs3)nc(=O)c2c1C ZINC000016586812 1127664119 /nfs/dbraw/zinc/66/41/19/1127664119.db2.gz XNINBHZFUFRLRI-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO C[N@H+](Cc1ccccc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000022010009 1127687112 /nfs/dbraw/zinc/68/71/12/1127687112.db2.gz HMLZRYMHQFKDJE-UHFFFAOYSA-N 1 2 338.480 3.784 20 0 EHADLO C[N@@H+](Cc1ccccc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000022010009 1127687115 /nfs/dbraw/zinc/68/71/15/1127687115.db2.gz HMLZRYMHQFKDJE-UHFFFAOYSA-N 1 2 338.480 3.784 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000734489366 1131240414 /nfs/dbraw/zinc/24/04/14/1131240414.db2.gz SUPKXGXEFXLHPB-INIZCTEOSA-N 1 2 329.440 3.836 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000734489366 1131240417 /nfs/dbraw/zinc/24/04/17/1131240417.db2.gz SUPKXGXEFXLHPB-INIZCTEOSA-N 1 2 329.440 3.836 20 0 EHADLO c1ccc(-c2nnc(NCc3cc[nH+]c(N4CCCC4)c3)s2)cc1 ZINC000024056155 1127701779 /nfs/dbraw/zinc/70/17/79/1127701779.db2.gz MGPIHNNSFCQVLT-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728082 1127745040 /nfs/dbraw/zinc/74/50/40/1127745040.db2.gz UINJRPPUBNNPFK-PXNSSMCTSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728082 1127745044 /nfs/dbraw/zinc/74/50/44/1127745044.db2.gz UINJRPPUBNNPFK-PXNSSMCTSA-N 1 2 339.435 3.789 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1F ZINC000027349899 1127779801 /nfs/dbraw/zinc/77/98/01/1127779801.db2.gz OJJMJPZQTAEJIU-SFHVURJKSA-N 1 2 330.403 3.683 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1F ZINC000027349899 1127779802 /nfs/dbraw/zinc/77/98/02/1127779802.db2.gz OJJMJPZQTAEJIU-SFHVURJKSA-N 1 2 330.403 3.683 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC(F)(F)F ZINC000104678491 1127891423 /nfs/dbraw/zinc/89/14/23/1127891423.db2.gz MZPORGSFFWVEBY-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC(F)(F)F ZINC000104678491 1127891426 /nfs/dbraw/zinc/89/14/26/1127891426.db2.gz MZPORGSFFWVEBY-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000044337182 1127935283 /nfs/dbraw/zinc/93/52/83/1127935283.db2.gz PVDSFBZUTXIPNE-LJQANCHMSA-N 1 2 340.492 3.512 20 0 EHADLO CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000045731095 1127957858 /nfs/dbraw/zinc/95/78/58/1127957858.db2.gz DPLOWODHJBGKPX-UHFFFAOYSA-N 1 2 333.435 3.639 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000046341613 1127976075 /nfs/dbraw/zinc/97/60/75/1127976075.db2.gz BNGREDKFVQKNMB-GJZGRUSLSA-N 1 2 342.414 3.687 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000046341909 1127976264 /nfs/dbraw/zinc/97/62/64/1127976264.db2.gz YNOGEETUFWUBMI-IYBDPMFKSA-N 1 2 330.472 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000046341909 1127976267 /nfs/dbraw/zinc/97/62/67/1127976267.db2.gz YNOGEETUFWUBMI-IYBDPMFKSA-N 1 2 330.472 3.815 20 0 EHADLO Fc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(F)c1Cl ZINC001212360092 1127980399 /nfs/dbraw/zinc/98/03/99/1127980399.db2.gz JAKYYBWFYBEXRB-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107180799 1128018252 /nfs/dbraw/zinc/01/82/52/1128018252.db2.gz SVPQALBBSMERDR-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1OC1CCCC1 ZINC000056630453 1128024900 /nfs/dbraw/zinc/02/49/00/1128024900.db2.gz MQBUMDXSKCZIFC-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO CC(=O)c1cc(Cl)c(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366517 1128042130 /nfs/dbraw/zinc/04/21/30/1128042130.db2.gz QXLYNYPOMUAVKB-UHFFFAOYSA-N 1 2 349.793 3.657 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000060478202 1128103989 /nfs/dbraw/zinc/10/39/89/1128103989.db2.gz OQOMZDWFYUMZLB-CYBMUJFWSA-N 1 2 332.394 3.860 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000060478202 1128103991 /nfs/dbraw/zinc/10/39/91/1128103991.db2.gz OQOMZDWFYUMZLB-CYBMUJFWSA-N 1 2 332.394 3.860 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060604387 1128109578 /nfs/dbraw/zinc/10/95/78/1128109578.db2.gz HSQNLTSBPKLOSL-UHFFFAOYSA-N 1 2 337.398 3.733 20 0 EHADLO OCc1ccc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001212374428 1128119910 /nfs/dbraw/zinc/11/99/10/1128119910.db2.gz AGKJVOWGYHJEKU-UHFFFAOYSA-N 1 2 330.185 3.628 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000061798969 1128129436 /nfs/dbraw/zinc/12/94/36/1128129436.db2.gz XZFFISSBNLVVNQ-KRWDZBQOSA-N 1 2 340.467 3.655 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000061798969 1128129439 /nfs/dbraw/zinc/12/94/39/1128129439.db2.gz XZFFISSBNLVVNQ-KRWDZBQOSA-N 1 2 340.467 3.655 20 0 EHADLO CC(C)Cc1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000063595115 1128148411 /nfs/dbraw/zinc/14/84/11/1128148411.db2.gz KZWPPRACDPEBNF-UHFFFAOYSA-N 1 2 326.425 3.780 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cn3ccsc3n2)c1 ZINC000064344807 1128165733 /nfs/dbraw/zinc/16/57/33/1128165733.db2.gz CXOLNNNBBHLCMK-MRXNPFEDSA-N 1 2 343.452 3.750 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cn3ccsc3n2)c1 ZINC000064344807 1128165734 /nfs/dbraw/zinc/16/57/34/1128165734.db2.gz CXOLNNNBBHLCMK-MRXNPFEDSA-N 1 2 343.452 3.750 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000065424763 1128189395 /nfs/dbraw/zinc/18/93/95/1128189395.db2.gz CLPYOIQLDVWJJM-VQIMIIECSA-N 1 2 338.451 3.866 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000065424763 1128189398 /nfs/dbraw/zinc/18/93/98/1128189398.db2.gz CLPYOIQLDVWJJM-VQIMIIECSA-N 1 2 338.451 3.866 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657447 1128245803 /nfs/dbraw/zinc/24/58/03/1128245803.db2.gz KMHBVEIJWLTOFI-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO COC1CCC([N@H+](C)Cn2[nH]c(-c3ccc(C)cc3)nc2=S)CC1 ZINC000734475686 1131242464 /nfs/dbraw/zinc/24/24/64/1131242464.db2.gz XHEXKBGEQHAKPB-UHFFFAOYSA-N 1 2 346.500 3.763 20 0 EHADLO COC1CCC([N@@H+](C)Cn2[nH]c(-c3ccc(C)cc3)nc2=S)CC1 ZINC000734475686 1131242468 /nfs/dbraw/zinc/24/24/68/1131242468.db2.gz XHEXKBGEQHAKPB-UHFFFAOYSA-N 1 2 346.500 3.763 20 0 EHADLO CCOc1nnc(C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)s1 ZINC000067978743 1128255236 /nfs/dbraw/zinc/25/52/36/1128255236.db2.gz VSLOOFDWJYCKGW-ZDUSSCGKSA-N 1 2 347.484 3.746 20 0 EHADLO CCOc1nnc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)s1 ZINC000067978743 1128255237 /nfs/dbraw/zinc/25/52/37/1128255237.db2.gz VSLOOFDWJYCKGW-ZDUSSCGKSA-N 1 2 347.484 3.746 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000068420122 1128266095 /nfs/dbraw/zinc/26/60/95/1128266095.db2.gz SZCJTODOFWTQTN-KGLIPLIRSA-N 1 2 343.393 3.759 20 0 EHADLO COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000067033521 1128231838 /nfs/dbraw/zinc/23/18/38/1128231838.db2.gz ZXPQKQNATFGAKX-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069364093 1128286752 /nfs/dbraw/zinc/28/67/52/1128286752.db2.gz NJTZYLOPKHLQSP-RDJZCZTQSA-N 1 2 332.492 3.624 20 0 EHADLO Cc1cc(C)cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000072484676 1128298701 /nfs/dbraw/zinc/29/87/01/1128298701.db2.gz XZCQOIJSTMXCRT-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Brc1ccc(C2([NH2+]Cc3nnc(C4CC4)o3)CCC2)cc1 ZINC000072580473 1128301911 /nfs/dbraw/zinc/30/19/11/1128301911.db2.gz WQWCBLSEKIOUMC-UHFFFAOYSA-N 1 2 348.244 3.879 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(NC=O)cc3)c2)[nH+]c1C ZINC000073045747 1128314247 /nfs/dbraw/zinc/31/42/47/1128314247.db2.gz AXTBRYACHXCMLU-UHFFFAOYSA-N 1 2 334.379 3.514 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000073809721 1128329107 /nfs/dbraw/zinc/32/91/07/1128329107.db2.gz GANMPSLWTIAHES-NVXWUHKLSA-N 1 2 344.459 3.748 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000073859721 1128329669 /nfs/dbraw/zinc/32/96/69/1128329669.db2.gz QDVCPARJTPPKGE-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000624528489 1128386853 /nfs/dbraw/zinc/38/68/53/1128386853.db2.gz YAUIWDMLFDZHQQ-GHMZBOCLSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000624528489 1128386857 /nfs/dbraw/zinc/38/68/57/1128386857.db2.gz YAUIWDMLFDZHQQ-GHMZBOCLSA-N 1 2 349.422 3.902 20 0 EHADLO Cc1cc([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)ccc1N1CCOCC1 ZINC000765809546 1128420695 /nfs/dbraw/zinc/42/06/95/1128420695.db2.gz KRPRQYTYCGVFEK-RTBURBONSA-N 1 2 332.488 3.836 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC001671000077 1128428525 /nfs/dbraw/zinc/42/85/25/1128428525.db2.gz YLXDQJGYDPTHDB-JKSUJKDBSA-N 1 2 347.503 3.605 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC001671000077 1128428527 /nfs/dbraw/zinc/42/85/27/1128428527.db2.gz YLXDQJGYDPTHDB-JKSUJKDBSA-N 1 2 347.503 3.605 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)Cc3cnc4ccccc4n3)cc2[nH+]1 ZINC000338669701 1128430360 /nfs/dbraw/zinc/43/03/60/1128430360.db2.gz VTMJCPUBUVARHK-LBPRGKRZSA-N 1 2 345.406 3.632 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCC(=O)[C@H]3C)cc2)[nH+]c1C ZINC000921658328 1128438502 /nfs/dbraw/zinc/43/85/02/1128438502.db2.gz RGMYPRXGMCDHEC-XHDPSFHLSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3nnc(C(C)C)s3)cc2)[nH+]c1C ZINC000921658042 1128438629 /nfs/dbraw/zinc/43/86/29/1128438629.db2.gz JYLNKHYWYFZGRY-UHFFFAOYSA-N 1 2 341.440 3.921 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)cc2)[nH+]c1C ZINC000921661968 1128441261 /nfs/dbraw/zinc/44/12/61/1128441261.db2.gz KFPBPKASHLAXEY-APPDUMDISA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)cc2)[nH+]c1C ZINC000921668728 1128448289 /nfs/dbraw/zinc/44/82/89/1128448289.db2.gz JKUACCCKNLNHMI-ADTUEAJISA-N 1 2 327.428 3.692 20 0 EHADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000085334758 1128450017 /nfs/dbraw/zinc/45/00/17/1128450017.db2.gz AUOBMVKHGMTHIX-HOCLYGCPSA-N 1 2 328.462 3.620 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633672 1128513793 /nfs/dbraw/zinc/51/37/93/1128513793.db2.gz JCXZCHBRNWNFNJ-XIRDDKMYSA-N 1 2 343.389 3.985 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633672 1128513795 /nfs/dbraw/zinc/51/37/95/1128513795.db2.gz JCXZCHBRNWNFNJ-XIRDDKMYSA-N 1 2 343.389 3.985 20 0 EHADLO Cc1ccc2nc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc2c1 ZINC000338693003 1128614211 /nfs/dbraw/zinc/61/42/11/1128614211.db2.gz KWWWCFLPKNJXKW-NRFANRHFSA-N 1 2 345.446 3.672 20 0 EHADLO Cc1ccc2nc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc2c1 ZINC000338693003 1128614213 /nfs/dbraw/zinc/61/42/13/1128614213.db2.gz KWWWCFLPKNJXKW-NRFANRHFSA-N 1 2 345.446 3.672 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)n1 ZINC000921775248 1128753106 /nfs/dbraw/zinc/75/31/06/1128753106.db2.gz XPFJTDHERXDTDC-GFCCVEGCSA-N 1 2 326.799 3.588 20 0 EHADLO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1nc(C(C)(C)C)cs1 ZINC001116791974 1128771714 /nfs/dbraw/zinc/77/17/14/1128771714.db2.gz WNQCXAZPYCLQNT-NSHDSACASA-N 1 2 339.505 3.711 20 0 EHADLO Cc1cc(N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000338743913 1128814418 /nfs/dbraw/zinc/81/44/18/1128814418.db2.gz HCHKWRDWKZBXNV-HNNXBMFYSA-N 1 2 329.366 3.599 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)C1CCC(F)(F)CC1 ZINC000656228462 1128825302 /nfs/dbraw/zinc/82/53/02/1128825302.db2.gz QGLMWBKCKSQRLP-LBPRGKRZSA-N 1 2 342.459 3.656 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)C1CCC(F)(F)CC1 ZINC000656228462 1128825306 /nfs/dbraw/zinc/82/53/06/1128825306.db2.gz QGLMWBKCKSQRLP-LBPRGKRZSA-N 1 2 342.459 3.656 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000656252504 1128839051 /nfs/dbraw/zinc/83/90/51/1128839051.db2.gz BUFQHAINIXLTRD-UHFFFAOYSA-N 1 2 331.847 3.589 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000656252504 1128839053 /nfs/dbraw/zinc/83/90/53/1128839053.db2.gz BUFQHAINIXLTRD-UHFFFAOYSA-N 1 2 331.847 3.589 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280689 1128846136 /nfs/dbraw/zinc/84/61/36/1128846136.db2.gz FVRHWSYXONDCIQ-GOEBONIOSA-N 1 2 336.501 3.918 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280689 1128846140 /nfs/dbraw/zinc/84/61/40/1128846140.db2.gz FVRHWSYXONDCIQ-GOEBONIOSA-N 1 2 336.501 3.918 20 0 EHADLO Cc1cc(NCc2cc(Br)ccc2F)nc(C2CC2)[nH+]1 ZINC000338756922 1128877772 /nfs/dbraw/zinc/87/77/72/1128877772.db2.gz LIQUVVZZGRPYBE-UHFFFAOYSA-N 1 2 336.208 3.598 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001687138578 1120022683 /nfs/dbraw/zinc/02/26/83/1120022683.db2.gz ICNSTDCDDQYHHZ-KRWDZBQOSA-N 1 2 349.544 3.792 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2occc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001648844549 1120052696 /nfs/dbraw/zinc/05/26/96/1120052696.db2.gz VFOZXGPEJIYERQ-LBTNJELSSA-N 1 2 330.428 3.505 20 0 EHADLO C[C@H]1CC(F)(F)CCN1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001648851128 1120054503 /nfs/dbraw/zinc/05/45/03/1120054503.db2.gz VZQPQPJPFGPNTK-SOUVJXGZSA-N 1 2 337.414 3.699 20 0 EHADLO CC[C@H]1CCC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001670571205 1120086975 /nfs/dbraw/zinc/08/69/75/1120086975.db2.gz FDWJQVNAPWEABA-XJKSGUPXSA-N 1 2 346.862 3.904 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000213426190 1120143714 /nfs/dbraw/zinc/14/37/14/1120143714.db2.gz YFBXTZHMQMAJEM-TWGQIWQCSA-N 1 2 348.490 3.704 20 0 EHADLO Nc1cc(Cl)[nH+]c(NCCc2ccc(Br)s2)c1 ZINC000228879421 1120151907 /nfs/dbraw/zinc/15/19/07/1120151907.db2.gz GMAWRPLQLMNEAK-UHFFFAOYSA-N 1 2 332.654 3.796 20 0 EHADLO Cc1ccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c(C)c1 ZINC000227824949 1120185203 /nfs/dbraw/zinc/18/52/03/1120185203.db2.gz GCAABZWQBHDBFA-UHFFFAOYSA-N 1 2 328.403 3.553 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCc3c[nH+]cn3C)c(F)c2)cc1C ZINC000355265581 1128909562 /nfs/dbraw/zinc/90/95/62/1128909562.db2.gz LRAFJVBXCUYYCC-UHFFFAOYSA-N 1 2 337.398 3.773 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000355261739 1128909949 /nfs/dbraw/zinc/90/99/49/1128909949.db2.gz FLCYFVRBRYREAG-UHFFFAOYSA-N 1 2 337.423 3.908 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[S@@]1=O ZINC000185278852 1120406679 /nfs/dbraw/zinc/40/66/79/1120406679.db2.gz CKLLGCKIIUQBDO-QHCPKHFHSA-N 1 2 348.537 3.933 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[S@@]1=O ZINC000185278852 1120406681 /nfs/dbraw/zinc/40/66/81/1120406681.db2.gz CKLLGCKIIUQBDO-QHCPKHFHSA-N 1 2 348.537 3.933 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000185492988 1120416520 /nfs/dbraw/zinc/41/65/20/1120416520.db2.gz YJWMSKPHPSZRHC-GFCCVEGCSA-N 1 2 336.530 3.780 20 0 EHADLO CCCc1csc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000494296894 1120529250 /nfs/dbraw/zinc/52/92/50/1120529250.db2.gz ZBTIGWITSTXXEX-QGZVFWFLSA-N 1 2 343.496 3.549 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168465981 1120607679 /nfs/dbraw/zinc/60/76/79/1120607679.db2.gz AGIJRBXEYIJPBN-LIRRHRJNSA-N 1 2 347.405 3.660 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C2(C[NH2+]Cc3ccn[nH]3)CC2)c1 ZINC000190299049 1120632462 /nfs/dbraw/zinc/63/24/62/1120632462.db2.gz UNUORIOWRYBKEK-UHFFFAOYSA-N 1 2 329.753 3.903 20 0 EHADLO Fc1cncc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000494608007 1120685626 /nfs/dbraw/zinc/68/56/26/1120685626.db2.gz HLZGDDHCTZQFGF-UHFFFAOYSA-N 1 2 327.428 3.752 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000074985877 1120747144 /nfs/dbraw/zinc/74/71/44/1120747144.db2.gz CXIIUZLTFPGVEI-UHFFFAOYSA-N 1 2 341.436 3.560 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747109 1120795283 /nfs/dbraw/zinc/79/52/83/1120795283.db2.gz GIPQPTZVYJGNKU-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747109 1120795286 /nfs/dbraw/zinc/79/52/86/1120795286.db2.gz GIPQPTZVYJGNKU-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000193787432 1120799075 /nfs/dbraw/zinc/79/90/75/1120799075.db2.gz PFHBYZXNZMCRNW-GOSISDBHSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3C[C@@H](C)OC4(CCCCC4)C3)o2)c(C)o1 ZINC000653908885 1120863757 /nfs/dbraw/zinc/86/37/57/1120863757.db2.gz WXXJHFTURPOSDK-CQSZACIVSA-N 1 2 345.443 3.870 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3C[C@@H](C)OC4(CCCCC4)C3)o2)c(C)o1 ZINC000653908885 1120863759 /nfs/dbraw/zinc/86/37/59/1120863759.db2.gz WXXJHFTURPOSDK-CQSZACIVSA-N 1 2 345.443 3.870 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@](F)(CO)C3)s2)cc1 ZINC000670111018 1120872821 /nfs/dbraw/zinc/87/28/21/1120872821.db2.gz JOVBXRGSBNVEGD-GOSISDBHSA-N 1 2 334.460 3.840 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@](F)(CO)C3)s2)cc1 ZINC000670111018 1120872825 /nfs/dbraw/zinc/87/28/25/1120872825.db2.gz JOVBXRGSBNVEGD-GOSISDBHSA-N 1 2 334.460 3.840 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C)OC[C@H]3C)c2cc1C(C)C ZINC000914576511 1120906789 /nfs/dbraw/zinc/90/67/89/1120906789.db2.gz RHZRMDYURHFUNF-CABCVRRESA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](C)OC[C@H]3C)c2cc1C(C)C ZINC000914576511 1120906792 /nfs/dbraw/zinc/90/67/92/1120906792.db2.gz RHZRMDYURHFUNF-CABCVRRESA-N 1 2 329.440 3.834 20 0 EHADLO CN(C)c1nc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cs1 ZINC000157022666 1128948516 /nfs/dbraw/zinc/94/85/16/1128948516.db2.gz RFJUPEMBGUSECO-CQSZACIVSA-N 1 2 337.876 3.866 20 0 EHADLO CSc1ccc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000494967522 1120921321 /nfs/dbraw/zinc/92/13/21/1120921321.db2.gz ATYNHEXJZIXIKS-QGZVFWFLSA-N 1 2 330.501 3.980 20 0 EHADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000495007634 1120930311 /nfs/dbraw/zinc/93/03/11/1120930311.db2.gz VNMOTRHNIWQOMB-MRXNPFEDSA-N 1 2 334.379 3.656 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)c(F)cc1Br)n1cc[nH+]c1 ZINC001127313646 1120937704 /nfs/dbraw/zinc/93/77/04/1120937704.db2.gz MCGCZPVPUZIENA-QMMMGPOBSA-N 1 2 344.159 3.514 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1F ZINC000495079220 1120947835 /nfs/dbraw/zinc/94/78/35/1120947835.db2.gz NGFQNFJQHYTRLD-UHFFFAOYSA-N 1 2 349.837 3.595 20 0 EHADLO CC(C)C[N@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495093856 1120951707 /nfs/dbraw/zinc/95/17/07/1120951707.db2.gz NCZIHRPQHXGGOT-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO CC(C)C[N@@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495093856 1120951711 /nfs/dbraw/zinc/95/17/11/1120951711.db2.gz NCZIHRPQHXGGOT-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO CCCC[NH+](CCCC)Cn1nnn(Cc2cccs2)c1=S ZINC000914785739 1120986858 /nfs/dbraw/zinc/98/68/58/1120986858.db2.gz QKJWCSJFJYBPOM-UHFFFAOYSA-N 1 2 339.534 3.779 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1cccnc1 ZINC000230306680 1121001196 /nfs/dbraw/zinc/00/11/96/1121001196.db2.gz JKUISVAKRHXHHE-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)nc21 ZINC000672365953 1128955792 /nfs/dbraw/zinc/95/57/92/1128955792.db2.gz DPFNAGXOYLDTQM-JTQLQIEISA-N 1 2 346.843 3.656 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(Br)ccc2OC)s1 ZINC000230706751 1121007742 /nfs/dbraw/zinc/00/77/42/1121007742.db2.gz GRVRAUIDWXNTBW-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3(CC(C)C)CCCC3)[nH+]c12 ZINC000154522279 1121040534 /nfs/dbraw/zinc/04/05/34/1121040534.db2.gz BCSJTJOGWHIZMJ-UHFFFAOYSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000762101139 1121101739 /nfs/dbraw/zinc/10/17/39/1121101739.db2.gz CHEWHUXQYKHYKO-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000303640992 1121168461 /nfs/dbraw/zinc/16/84/61/1121168461.db2.gz QYIBVXBOGDGWOD-NUJGCVRESA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000303640992 1121168464 /nfs/dbraw/zinc/16/84/64/1121168464.db2.gz QYIBVXBOGDGWOD-NUJGCVRESA-N 1 2 332.488 3.601 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762497454 1121327356 /nfs/dbraw/zinc/32/73/56/1121327356.db2.gz SBYBREAIPGMOPV-SFHVURJKSA-N 1 2 349.438 3.533 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762497454 1121327366 /nfs/dbraw/zinc/32/73/66/1121327366.db2.gz SBYBREAIPGMOPV-SFHVURJKSA-N 1 2 349.438 3.533 20 0 EHADLO CC(C)[NH+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000025136597 1121365720 /nfs/dbraw/zinc/36/57/20/1121365720.db2.gz JKSVNIOHYYVORH-UHFFFAOYSA-N 1 2 340.851 3.860 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC001235491402 1121614463 /nfs/dbraw/zinc/61/44/63/1121614463.db2.gz GHTYFSQEZFFWLT-GHMZBOCLSA-N 1 2 346.240 3.596 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001235491402 1121614466 /nfs/dbraw/zinc/61/44/66/1121614466.db2.gz GHTYFSQEZFFWLT-GHMZBOCLSA-N 1 2 346.240 3.596 20 0 EHADLO CC(C)C(C)(C)SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000762981555 1121636397 /nfs/dbraw/zinc/63/63/97/1121636397.db2.gz YATJASBQRSXGEQ-UHFFFAOYSA-N 1 2 340.558 3.560 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)CCCn3cc[nH+]c3)s2)c1 ZINC000672512353 1128999707 /nfs/dbraw/zinc/99/97/07/1128999707.db2.gz ZYIBLESQKPGOJW-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2c[nH+]c(C)cc2C)c(OC)c1 ZINC001212461633 1129002306 /nfs/dbraw/zinc/00/23/06/1129002306.db2.gz DRGZTWCXVOWVDU-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO CC(C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060909832 1121706947 /nfs/dbraw/zinc/70/69/47/1121706947.db2.gz AKNHCQVDEHNIEQ-HNNXBMFYSA-N 1 2 341.858 3.571 20 0 EHADLO CC(=O)c1ccc(-c2ccc(C(=O)OCCCn3cc[nH+]c3)o2)cc1 ZINC000763289963 1121943576 /nfs/dbraw/zinc/94/35/76/1121943576.db2.gz XZUNQLPOKIZGLA-UHFFFAOYSA-N 1 2 338.363 3.593 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@@H+]3CC[C@@H](C4CC4)C3)[nH]2)c1 ZINC000763332423 1121962093 /nfs/dbraw/zinc/96/20/93/1121962093.db2.gz MXYDDZBGQYKDEE-LLVKDONJSA-N 1 2 336.411 3.575 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@H+]3CC[C@@H](C4CC4)C3)[nH]2)c1 ZINC000763332423 1121962101 /nfs/dbraw/zinc/96/21/01/1121962101.db2.gz MXYDDZBGQYKDEE-LLVKDONJSA-N 1 2 336.411 3.575 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444199079 1121979878 /nfs/dbraw/zinc/97/98/78/1121979878.db2.gz UUPVDGOVBZTHQV-IKGGRYGDSA-N 1 2 332.492 3.526 20 0 EHADLO CC[N@H+](CCc1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000077443774 1129031858 /nfs/dbraw/zinc/03/18/58/1129031858.db2.gz WWXRRTOZQLABMY-UHFFFAOYSA-N 1 2 330.501 3.663 20 0 EHADLO CC[N@@H+](CCc1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000077443774 1129031862 /nfs/dbraw/zinc/03/18/62/1129031862.db2.gz WWXRRTOZQLABMY-UHFFFAOYSA-N 1 2 330.501 3.663 20 0 EHADLO COc1cccc2c(NCc3cccc(N4CCOC4=O)c3)cc[nH+]c12 ZINC000496541923 1122115341 /nfs/dbraw/zinc/11/53/41/1122115341.db2.gz GAKGMQGGMJNSDU-UHFFFAOYSA-N 1 2 349.390 3.812 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cccnc1Cl ZINC000496642520 1122140142 /nfs/dbraw/zinc/14/01/42/1122140142.db2.gz HUDRGEIVOCXJLJ-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cccnc1Cl ZINC000496642520 1122140144 /nfs/dbraw/zinc/14/01/44/1122140144.db2.gz HUDRGEIVOCXJLJ-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cn3ncn(C)c3=S)C2)cc1 ZINC000763392911 1122225320 /nfs/dbraw/zinc/22/53/20/1122225320.db2.gz JJWOJIXFDPZFNY-INIZCTEOSA-N 1 2 330.501 3.597 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cn3ncn(C)c3=S)C2)cc1 ZINC000763392911 1122225324 /nfs/dbraw/zinc/22/53/24/1122225324.db2.gz JJWOJIXFDPZFNY-INIZCTEOSA-N 1 2 330.501 3.597 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154123459 1122251371 /nfs/dbraw/zinc/25/13/71/1122251371.db2.gz JVFSTCZWMBWJDH-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000154130678 1122254433 /nfs/dbraw/zinc/25/44/33/1122254433.db2.gz WIDBXZDBIFISLC-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO COC(C)(C)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124303026 1122280425 /nfs/dbraw/zinc/28/04/25/1122280425.db2.gz IMPKBLWGERVQHC-QGZVFWFLSA-N 1 2 337.423 3.841 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000126032441 1122381368 /nfs/dbraw/zinc/38/13/68/1122381368.db2.gz SAKYTRRQFNSWAX-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000126032441 1122381371 /nfs/dbraw/zinc/38/13/71/1122381371.db2.gz SAKYTRRQFNSWAX-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000497299592 1122441877 /nfs/dbraw/zinc/44/18/77/1122441877.db2.gz KAVOPUBSILVFLL-ZDUSSCGKSA-N 1 2 344.415 3.820 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000127127684 1122464372 /nfs/dbraw/zinc/46/43/72/1122464372.db2.gz HVOQBOYWJAHYBN-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000127127684 1122464373 /nfs/dbraw/zinc/46/43/73/1122464373.db2.gz HVOQBOYWJAHYBN-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO CCc1oc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000127255638 1122472917 /nfs/dbraw/zinc/47/29/17/1122472917.db2.gz YDVZBLZASXSCTC-MAUKXSAKSA-N 1 2 348.393 3.604 20 0 EHADLO CCc1oc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000127255638 1122472920 /nfs/dbraw/zinc/47/29/20/1122472920.db2.gz YDVZBLZASXSCTC-MAUKXSAKSA-N 1 2 348.393 3.604 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000066564843 1122474412 /nfs/dbraw/zinc/47/44/12/1122474412.db2.gz LUZIQYXFDHLDBJ-DZGCQCFKSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000066564843 1122474417 /nfs/dbraw/zinc/47/44/17/1122474417.db2.gz LUZIQYXFDHLDBJ-DZGCQCFKSA-N 1 2 343.496 3.640 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898958 1122490139 /nfs/dbraw/zinc/49/01/39/1122490139.db2.gz JAXLBWAMRSYLKB-QGZVFWFLSA-N 1 2 349.434 3.682 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898958 1122490140 /nfs/dbraw/zinc/49/01/40/1122490140.db2.gz JAXLBWAMRSYLKB-QGZVFWFLSA-N 1 2 349.434 3.682 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922046756 1129058253 /nfs/dbraw/zinc/05/82/53/1129058253.db2.gz MWDOYRCSIIRUGC-UHFFFAOYSA-N 1 2 326.227 3.892 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127863242 1122512578 /nfs/dbraw/zinc/51/25/78/1122512578.db2.gz VFBJLOXQAJCQEU-SFHVURJKSA-N 1 2 343.377 3.933 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000128395063 1122585225 /nfs/dbraw/zinc/58/52/25/1122585225.db2.gz XVDUQQKWAZKYGF-XMSQKQJNSA-N 1 2 331.506 3.714 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000128395063 1122585226 /nfs/dbraw/zinc/58/52/26/1122585226.db2.gz XVDUQQKWAZKYGF-XMSQKQJNSA-N 1 2 331.506 3.714 20 0 EHADLO C[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000128526201 1122616456 /nfs/dbraw/zinc/61/64/56/1122616456.db2.gz QORTWGDYHSMBHR-WHWKNOJMSA-N 1 2 332.407 3.500 20 0 EHADLO C[C@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000068500365 1122658328 /nfs/dbraw/zinc/65/83/28/1122658328.db2.gz XHEXDHBMKVQJFO-OJXHRBAXSA-N 1 2 332.407 3.500 20 0 EHADLO COc1ccc2c(C[NH2+][C@H](C)c3c(F)cccc3F)cc(=O)oc2c1 ZINC000917938852 1122713907 /nfs/dbraw/zinc/71/39/07/1122713907.db2.gz KYKYPXJBQFXFJP-LLVKDONJSA-N 1 2 345.345 3.931 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000069001801 1122739852 /nfs/dbraw/zinc/73/98/52/1122739852.db2.gz JLONIXKUCBVCBR-YRNVUSSQSA-N 1 2 334.463 3.775 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)NNc1cc[nH+]cc1Cl ZINC000154660271 1122772767 /nfs/dbraw/zinc/77/27/67/1122772767.db2.gz GGTZUNKQPGELAM-UHFFFAOYSA-N 1 2 346.749 3.594 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3noc4c3COCC4)CC2)cc1 ZINC000930022634 1122799635 /nfs/dbraw/zinc/79/96/35/1122799635.db2.gz ZSRRPSZNBPIKMV-UHFFFAOYSA-N 1 2 330.815 3.690 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3noc4c3COCC4)CC2)cc1 ZINC000930022634 1122799638 /nfs/dbraw/zinc/79/96/38/1122799638.db2.gz ZSRRPSZNBPIKMV-UHFFFAOYSA-N 1 2 330.815 3.690 20 0 EHADLO COC(=O)c1occc1C[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000609280799 1122829782 /nfs/dbraw/zinc/82/97/82/1122829782.db2.gz PNFJPSLOAVYJRF-MRXNPFEDSA-N 1 2 329.396 3.802 20 0 EHADLO COC(=O)c1occc1C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000609280799 1122829791 /nfs/dbraw/zinc/82/97/91/1122829791.db2.gz PNFJPSLOAVYJRF-MRXNPFEDSA-N 1 2 329.396 3.802 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000444879406 1122854280 /nfs/dbraw/zinc/85/42/80/1122854280.db2.gz QBXLNZVYBHQWPG-XMTFNYHQSA-N 1 2 344.503 3.668 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738921 1122902190 /nfs/dbraw/zinc/90/21/90/1122902190.db2.gz BCBSXHTURNERAY-AAEUAGOBSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738921 1122902196 /nfs/dbraw/zinc/90/21/96/1122902196.db2.gz BCBSXHTURNERAY-AAEUAGOBSA-N 1 2 328.815 3.751 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1sccc1SC(F)F ZINC000154823120 1122923917 /nfs/dbraw/zinc/92/39/17/1122923917.db2.gz FIVWTCBEXBAQCV-UHFFFAOYSA-N 1 2 335.788 3.868 20 0 EHADLO Cc1ccc(NC(=O)Cc2ccc(C(C)(C)C)cc2)c(N(C)C)[nH+]1 ZINC001127452912 1122941170 /nfs/dbraw/zinc/94/11/70/1122941170.db2.gz LJSOPLUOPIXKGK-UHFFFAOYSA-N 1 2 325.456 3.935 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000130511808 1122957782 /nfs/dbraw/zinc/95/77/82/1122957782.db2.gz NPNYBBXQBNBOAO-OKILXGFUSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000130511808 1122957785 /nfs/dbraw/zinc/95/77/85/1122957785.db2.gz NPNYBBXQBNBOAO-OKILXGFUSA-N 1 2 331.847 3.715 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](CCc2cccc(F)c2)C2CC2)cs1 ZINC000113940757 1129092385 /nfs/dbraw/zinc/09/23/85/1129092385.db2.gz UHEMFQQGMSOCCL-UHFFFAOYSA-N 1 2 348.443 3.666 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cs1 ZINC000113940757 1129092389 /nfs/dbraw/zinc/09/23/89/1129092389.db2.gz UHEMFQQGMSOCCL-UHFFFAOYSA-N 1 2 348.443 3.666 20 0 EHADLO CC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1nccs1 ZINC000130903099 1123020515 /nfs/dbraw/zinc/02/05/15/1123020515.db2.gz ICBWSBDFTDGXIY-CQSZACIVSA-N 1 2 326.425 3.518 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997549 1123030064 /nfs/dbraw/zinc/03/00/64/1123030064.db2.gz QKLPPTZCIAMROD-FASAQXTFSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997549 1123030067 /nfs/dbraw/zinc/03/00/67/1123030067.db2.gz QKLPPTZCIAMROD-FASAQXTFSA-N 1 2 344.405 3.630 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2cc(C3CC3)ccc2F)c[nH+]1 ZINC000556620784 1123063483 /nfs/dbraw/zinc/06/34/83/1123063483.db2.gz MSCUGALOCHFRMG-UHFFFAOYSA-N 1 2 327.403 3.714 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(F)c2)o1 ZINC000131340718 1123086343 /nfs/dbraw/zinc/08/63/43/1123086343.db2.gz ZWFAXGPTDOUBQN-KRWDZBQOSA-N 1 2 346.402 3.649 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(F)c2)o1 ZINC000131340718 1123086347 /nfs/dbraw/zinc/08/63/47/1123086347.db2.gz ZWFAXGPTDOUBQN-KRWDZBQOSA-N 1 2 346.402 3.649 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc(-c2ccccn2)s1 ZINC000170782166 1123146141 /nfs/dbraw/zinc/14/61/41/1123146141.db2.gz WPVCGPMOUXVNMI-UHFFFAOYSA-N 1 2 347.403 3.848 20 0 EHADLO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1noc(Cc2ccccc2)n1 ZINC000542615876 1123193139 /nfs/dbraw/zinc/19/31/39/1123193139.db2.gz LIAOLSSEQMUTAK-CQSZACIVSA-N 1 2 341.386 3.529 20 0 EHADLO CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921976 1123211292 /nfs/dbraw/zinc/21/12/92/1123211292.db2.gz ZSOZIEDFBZPYLR-DBVUQKKJSA-N 1 2 344.499 3.632 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3cccc(F)c3C2)c1 ZINC000132353097 1123220338 /nfs/dbraw/zinc/22/03/38/1123220338.db2.gz DYJLLEMRUANYQJ-UHFFFAOYSA-N 1 2 335.382 3.518 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000132347648 1123220593 /nfs/dbraw/zinc/22/05/93/1123220593.db2.gz VRAOYKZSRWWLOU-CABCVRRESA-N 1 2 331.213 3.895 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3c2CCC3)n1 ZINC000920021292 1123264837 /nfs/dbraw/zinc/26/48/37/1123264837.db2.gz LDMQNMNZEPPLPQ-UHFFFAOYSA-N 1 2 329.469 3.726 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)CC(=O)NCc3ccco3)o2)cc1 ZINC000920490352 1123375571 /nfs/dbraw/zinc/37/55/71/1123375571.db2.gz PVXJVYGTUBLIRZ-UHFFFAOYSA-N 1 2 338.407 3.596 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)CC(=O)NCc3ccco3)o2)cc1 ZINC000920490352 1123375576 /nfs/dbraw/zinc/37/55/76/1123375576.db2.gz PVXJVYGTUBLIRZ-UHFFFAOYSA-N 1 2 338.407 3.596 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920564948 1123386149 /nfs/dbraw/zinc/38/61/49/1123386149.db2.gz VCNNVOOCWNWHSS-LZLYRXPVSA-N 1 2 342.487 3.636 20 0 EHADLO CC(C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000133387711 1123390503 /nfs/dbraw/zinc/39/05/03/1123390503.db2.gz XWRXZSVQNTUYSZ-ZYSHUDEJSA-N 1 2 340.471 3.846 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000672951060 1129120650 /nfs/dbraw/zinc/12/06/50/1129120650.db2.gz VCUCEAHPZUXSMS-UHFFFAOYSA-N 1 2 347.378 3.536 20 0 EHADLO C[C@H](OC(=O)CCCn1cc[nH+]c1)c1nc2ccccc2n1C(F)F ZINC000920928108 1123438595 /nfs/dbraw/zinc/43/85/95/1123438595.db2.gz VGCHYKMGUABFEZ-LBPRGKRZSA-N 1 2 348.353 3.713 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997938 1123452868 /nfs/dbraw/zinc/45/28/68/1123452868.db2.gz WLYYVGFHOXQBBW-LBPRGKRZSA-N 1 2 344.377 3.687 20 0 EHADLO COC(=O)c1c(C)cc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C ZINC001213122795 1123471568 /nfs/dbraw/zinc/47/15/68/1123471568.db2.gz DAHQPJJQRPAPKI-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921150139 1123472449 /nfs/dbraw/zinc/47/24/49/1123472449.db2.gz HYGHIWSNSDJVJT-UHFFFAOYSA-N 1 2 333.435 3.820 20 0 EHADLO Cc1nc2ccccc2cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921152648 1123472962 /nfs/dbraw/zinc/47/29/62/1123472962.db2.gz XISNEWBDPZFJRE-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000921143573 1123476379 /nfs/dbraw/zinc/47/63/79/1123476379.db2.gz PTMPAPKFBUAAJM-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921146940 1123477148 /nfs/dbraw/zinc/47/71/48/1123477148.db2.gz PDWVTBYGFLLTDI-UHFFFAOYSA-N 1 2 345.446 3.610 20 0 EHADLO CC[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921201100 1123478426 /nfs/dbraw/zinc/47/84/26/1123478426.db2.gz KSEOYBQWHBTBRL-SFHVURJKSA-N 1 2 348.450 3.865 20 0 EHADLO C[N@H+](CCSc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000921208607 1123483650 /nfs/dbraw/zinc/48/36/50/1123483650.db2.gz NGSBCSSSMGTWDW-UHFFFAOYSA-N 1 2 343.427 3.699 20 0 EHADLO C[N@@H+](CCSc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000921208607 1123483654 /nfs/dbraw/zinc/48/36/54/1123483654.db2.gz NGSBCSSSMGTWDW-UHFFFAOYSA-N 1 2 343.427 3.699 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239730 1123507742 /nfs/dbraw/zinc/50/77/42/1123507742.db2.gz IHBVRKVPESDRMU-MLGOLLRUSA-N 1 2 341.436 3.622 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239730 1123507744 /nfs/dbraw/zinc/50/77/44/1123507744.db2.gz IHBVRKVPESDRMU-MLGOLLRUSA-N 1 2 341.436 3.622 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000134359482 1123518426 /nfs/dbraw/zinc/51/84/26/1123518426.db2.gz ZMEBFSHQYDLTEG-LBPRGKRZSA-N 1 2 327.334 3.893 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077776706 1123580129 /nfs/dbraw/zinc/58/01/29/1123580129.db2.gz JEMZAUMCIHXUMM-SFHVURJKSA-N 1 2 346.519 3.762 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccccc1Cl ZINC000064440894 1123618661 /nfs/dbraw/zinc/61/86/61/1123618661.db2.gz VFTNKHRIODPPRM-INIZCTEOSA-N 1 2 333.863 3.700 20 0 EHADLO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1nc(Cc2ccccc2)no1 ZINC000542622310 1123641947 /nfs/dbraw/zinc/64/19/47/1123641947.db2.gz KLYOYOIPPQLLES-XYJFISCASA-N 1 2 343.471 3.906 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266236 1123644133 /nfs/dbraw/zinc/64/41/33/1123644133.db2.gz HEKOJPMJUDRCIT-YLJYHZDGSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266236 1123644134 /nfs/dbraw/zinc/64/41/34/1123644134.db2.gz HEKOJPMJUDRCIT-YLJYHZDGSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)o2)C[C@@H](C)O1 ZINC000079267051 1123682140 /nfs/dbraw/zinc/68/21/40/1123682140.db2.gz KVSRWPVTODXROO-CHWSQXEVSA-N 1 2 348.830 3.795 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc(N2CCCC2)n1 ZINC000922139302 1129141906 /nfs/dbraw/zinc/14/19/06/1129141906.db2.gz AKVRLUPVKXJBPK-UHFFFAOYSA-N 1 2 328.460 3.566 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3cccs3)o2)ccc1O ZINC000080847907 1123766580 /nfs/dbraw/zinc/76/65/80/1123766580.db2.gz DIOZWYQSUIVKBR-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3cccs3)o2)ccc1O ZINC000080847907 1123766585 /nfs/dbraw/zinc/76/65/85/1123766585.db2.gz DIOZWYQSUIVKBR-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000245545299 1123870570 /nfs/dbraw/zinc/87/05/70/1123870570.db2.gz TVZGQLXGRXHLAE-QRWLVFNGSA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000245545299 1123870574 /nfs/dbraw/zinc/87/05/74/1123870574.db2.gz TVZGQLXGRXHLAE-QRWLVFNGSA-N 1 2 343.446 3.727 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)N[C@@H](C)CC)c1nc(C(F)(F)F)cs1 ZINC000245593686 1123888433 /nfs/dbraw/zinc/88/84/33/1123888433.db2.gz BJRCZUOIWQMHNH-IVZWLZJFSA-N 1 2 337.411 3.506 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938583 1123900180 /nfs/dbraw/zinc/90/01/80/1123900180.db2.gz PZSWOJGXWRBUQN-DZGCQCFKSA-N 1 2 338.879 3.562 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938583 1123900182 /nfs/dbraw/zinc/90/01/82/1123900182.db2.gz PZSWOJGXWRBUQN-DZGCQCFKSA-N 1 2 338.879 3.562 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245657129 1123911734 /nfs/dbraw/zinc/91/17/34/1123911734.db2.gz GHZPCMMMJZZKND-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245657129 1123911738 /nfs/dbraw/zinc/91/17/38/1123911738.db2.gz GHZPCMMMJZZKND-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO C[C@@H]1CC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H](C)C1 ZINC000543045395 1129155604 /nfs/dbraw/zinc/15/56/04/1129155604.db2.gz LPYFFVZQDCXWCA-IRXDYDNUSA-N 1 2 346.519 3.910 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000245923268 1123980705 /nfs/dbraw/zinc/98/07/05/1123980705.db2.gz XCOIFZPZFMSHBA-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000245923268 1123980709 /nfs/dbraw/zinc/98/07/09/1123980709.db2.gz XCOIFZPZFMSHBA-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328149 1123982513 /nfs/dbraw/zinc/98/25/13/1123982513.db2.gz HECCHLUEODFRAQ-QYZOEREBSA-N 1 2 337.467 3.630 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616329369 1123983547 /nfs/dbraw/zinc/98/35/47/1123983547.db2.gz WUAFAUBEZUYRKA-RTBURBONSA-N 1 2 325.456 3.538 20 0 EHADLO O=C(Nc1nc(-c2ccccc2)c[nH]1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000673051916 1129159546 /nfs/dbraw/zinc/15/95/46/1129159546.db2.gz AILIRCZLAQHQGE-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000246085304 1124015986 /nfs/dbraw/zinc/01/59/86/1124015986.db2.gz FZNPRNUCQAEVTH-SJORKVTESA-N 1 2 343.496 3.715 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000246085304 1124015991 /nfs/dbraw/zinc/01/59/91/1124015991.db2.gz FZNPRNUCQAEVTH-SJORKVTESA-N 1 2 343.496 3.715 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2c1 ZINC000616794991 1124035541 /nfs/dbraw/zinc/03/55/41/1124035541.db2.gz WTFAJGFLYVVYKW-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2c1 ZINC000616794991 1124035546 /nfs/dbraw/zinc/03/55/46/1124035546.db2.gz WTFAJGFLYVVYKW-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cn3ncn(C(C)(C)C)c3=S)C2)cc1 ZINC000068876050 1124047678 /nfs/dbraw/zinc/04/76/78/1124047678.db2.gz CXZLSPKYSOCMNP-HNNXBMFYSA-N 1 2 346.500 3.625 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cn3ncn(C(C)(C)C)c3=S)C2)cc1 ZINC000068876050 1124047682 /nfs/dbraw/zinc/04/76/82/1124047682.db2.gz CXZLSPKYSOCMNP-HNNXBMFYSA-N 1 2 346.500 3.625 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000180777048 1124071213 /nfs/dbraw/zinc/07/12/13/1124071213.db2.gz TZWNWACFHBNVFK-CQSZACIVSA-N 1 2 349.390 3.749 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C ZINC000246274399 1124073311 /nfs/dbraw/zinc/07/33/11/1124073311.db2.gz JHGVSWATQYCDHC-GOEBONIOSA-N 1 2 332.444 3.781 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C ZINC000246274399 1124073316 /nfs/dbraw/zinc/07/33/16/1124073316.db2.gz JHGVSWATQYCDHC-GOEBONIOSA-N 1 2 332.444 3.781 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000085987261 1129178800 /nfs/dbraw/zinc/17/88/00/1129178800.db2.gz XKCWCKZECDIAJM-UHFFFAOYSA-N 1 2 349.415 3.800 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1C ZINC000734525921 1131246994 /nfs/dbraw/zinc/24/69/94/1131246994.db2.gz QWGDPWZDJSATGM-CJNGLKHVSA-N 1 2 333.476 3.723 20 0 EHADLO Cc1c(F)c(Br)ccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000617478675 1124599906 /nfs/dbraw/zinc/59/99/06/1124599906.db2.gz POUOAAQXBGOGGH-VIFPVBQESA-N 1 2 340.196 3.683 20 0 EHADLO CCCCn1c(SC[C@@H]2CC[C@@H](C)O2)nnc1[C@H](CC)[NH+](C)C ZINC000248904243 1124717093 /nfs/dbraw/zinc/71/70/93/1124717093.db2.gz LKPZNDMWLRIZRJ-ILXRZTDVSA-N 1 2 340.537 3.751 20 0 EHADLO Cc1cc(N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734833587 1131283547 /nfs/dbraw/zinc/28/35/47/1131283547.db2.gz MQDGGQZJHURNQV-OAHLLOKOSA-N 1 2 346.475 3.864 20 0 EHADLO CC[C@@H]1C[C@H](CNc2[nH]c3ccc(Br)cc3[nH+]2)CCO1 ZINC001203529414 1124902902 /nfs/dbraw/zinc/90/29/02/1124902902.db2.gz HDZWJWCCSQWGMH-ZYHUDNBSSA-N 1 2 338.249 3.943 20 0 EHADLO CC[C@@H]1C[C@H](CNc2[nH]c3cc(Br)ccc3[nH+]2)CCO1 ZINC001203529414 1124902907 /nfs/dbraw/zinc/90/29/07/1124902907.db2.gz HDZWJWCCSQWGMH-ZYHUDNBSSA-N 1 2 338.249 3.943 20 0 EHADLO O=C(CCCc1cc(F)ccc1F)NCCCCNc1cccc[nH+]1 ZINC000090552885 1124921566 /nfs/dbraw/zinc/92/15/66/1124921566.db2.gz PGLCMCGUIYUAEH-UHFFFAOYSA-N 1 2 347.409 3.691 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cn1 ZINC000449639738 1125021393 /nfs/dbraw/zinc/02/13/93/1125021393.db2.gz QHGZRPQSOKACNT-CQSZACIVSA-N 1 2 325.334 3.766 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cn1 ZINC000449639738 1125021399 /nfs/dbraw/zinc/02/13/99/1125021399.db2.gz QHGZRPQSOKACNT-CQSZACIVSA-N 1 2 325.334 3.766 20 0 EHADLO CCO[C@@H](C)c1noc(COc2cc(CC)[nH+]c3ccccc32)n1 ZINC000092333964 1125084663 /nfs/dbraw/zinc/08/46/63/1125084663.db2.gz BLQOXCQQRCBECV-LBPRGKRZSA-N 1 2 327.384 3.857 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000253385557 1125155660 /nfs/dbraw/zinc/15/56/60/1125155660.db2.gz TUCGGKYPXNQOET-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000253385557 1125155663 /nfs/dbraw/zinc/15/56/63/1125155663.db2.gz TUCGGKYPXNQOET-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO COCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000092973780 1125174800 /nfs/dbraw/zinc/17/48/00/1125174800.db2.gz TUBQLVOHYUVWKA-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO COCc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000092973780 1125174801 /nfs/dbraw/zinc/17/48/01/1125174801.db2.gz TUBQLVOHYUVWKA-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c1OC ZINC000093478453 1125259294 /nfs/dbraw/zinc/25/92/94/1125259294.db2.gz FWYCMUUJSLYSJL-LJQANCHMSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1OC ZINC000093478453 1125259297 /nfs/dbraw/zinc/25/92/97/1125259297.db2.gz FWYCMUUJSLYSJL-LJQANCHMSA-N 1 2 327.424 3.586 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000093478332 1125259398 /nfs/dbraw/zinc/25/93/98/1125259398.db2.gz CGCYRCXJWTWFLR-IBGZPJMESA-N 1 2 337.423 3.860 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000093478332 1125259400 /nfs/dbraw/zinc/25/94/00/1125259400.db2.gz CGCYRCXJWTWFLR-IBGZPJMESA-N 1 2 337.423 3.860 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc(OC)c1 ZINC000093478422 1125259764 /nfs/dbraw/zinc/25/97/64/1125259764.db2.gz NBZIPGZONXQDMO-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc(OC)c1 ZINC000093478422 1125259768 /nfs/dbraw/zinc/25/97/68/1125259768.db2.gz NBZIPGZONXQDMO-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccn1 ZINC000182439978 1125290419 /nfs/dbraw/zinc/29/04/19/1125290419.db2.gz ZRSYKXHAEJNOJT-UHFFFAOYSA-N 1 2 340.452 3.550 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000735486034 1131348723 /nfs/dbraw/zinc/34/87/23/1131348723.db2.gz UISIXBUIJZVIDK-OAHLLOKOSA-N 1 2 338.377 3.763 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000735486034 1131348730 /nfs/dbraw/zinc/34/87/30/1131348730.db2.gz UISIXBUIJZVIDK-OAHLLOKOSA-N 1 2 338.377 3.763 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000735469030 1131350475 /nfs/dbraw/zinc/35/04/75/1131350475.db2.gz RMDJFLDJNCBQRV-OLHLWXQYSA-N 1 2 348.450 3.676 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)s1 ZINC000078828652 1129203258 /nfs/dbraw/zinc/20/32/58/1129203258.db2.gz KCZLQCALMZRVGW-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)s1 ZINC000078828652 1129203261 /nfs/dbraw/zinc/20/32/61/1129203261.db2.gz KCZLQCALMZRVGW-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466129905 1129232845 /nfs/dbraw/zinc/23/28/45/1129232845.db2.gz OCBPDYDATBEZEB-BRWVUGGUSA-N 1 2 347.528 3.544 20 0 EHADLO C[C@@H](CCCC(C)(C)O)Nc1c(Br)ccc2[nH+]ccn21 ZINC001168706976 1129264403 /nfs/dbraw/zinc/26/44/03/1129264403.db2.gz GZEYKUUPDOOHKQ-NSHDSACASA-N 1 2 340.265 3.838 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000657406104 1129297639 /nfs/dbraw/zinc/29/76/39/1129297639.db2.gz SSVRNYUNFRDQRD-UHFFFAOYSA-N 1 2 325.391 3.625 20 0 EHADLO C[C@H](c1ccncc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000067716307 1129299067 /nfs/dbraw/zinc/29/90/67/1129299067.db2.gz XBGIMWHXZOTRRM-QGZVFWFLSA-N 1 2 345.446 3.754 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1cncc(Br)c1)C2 ZINC000543207733 1129342534 /nfs/dbraw/zinc/34/25/34/1129342534.db2.gz STMMTFARPTVXJZ-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1cncc(Br)c1)C2 ZINC000543207733 1129342539 /nfs/dbraw/zinc/34/25/39/1129342539.db2.gz STMMTFARPTVXJZ-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000080437396 1129355821 /nfs/dbraw/zinc/35/58/21/1129355821.db2.gz ZCUCDJBNSMEVIH-LJQANCHMSA-N 1 2 335.382 3.989 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1c(C)noc1C)c1ccccc1 ZINC000116393192 1129356666 /nfs/dbraw/zinc/35/66/66/1129356666.db2.gz ATKVGJCSLHVJDU-ACJLOTCBSA-N 1 2 329.444 3.552 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001143142504 1129438672 /nfs/dbraw/zinc/43/86/72/1129438672.db2.gz FKMUEWTVCFFDDX-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001143142504 1129438673 /nfs/dbraw/zinc/43/86/73/1129438673.db2.gz FKMUEWTVCFFDDX-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)sc1C ZINC000673472042 1129443090 /nfs/dbraw/zinc/44/30/90/1129443090.db2.gz INSMREFKGJANIK-UHFFFAOYSA-N 1 2 349.525 3.599 20 0 EHADLO Fc1ccc2c(c1)CCN2C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000282352725 1129469042 /nfs/dbraw/zinc/46/90/42/1129469042.db2.gz ATUFTJXUEDFLDK-UHFFFAOYSA-N 1 2 341.430 3.718 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)c(C)c1 ZINC000543425260 1129480541 /nfs/dbraw/zinc/48/05/41/1129480541.db2.gz ZBSADBQKTNTXNS-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)c1nccn1C ZINC000657794034 1129487297 /nfs/dbraw/zinc/48/72/97/1129487297.db2.gz MMCPAADYCYVFPN-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(Br)cc2Br)C[C@H]1C ZINC000543446223 1129490802 /nfs/dbraw/zinc/49/08/02/1129490802.db2.gz ASVVCHWWIPSFQF-DTORHVGOSA-N 1 2 348.082 3.694 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(Br)cc2Br)C[C@H]1C ZINC000543446223 1129490804 /nfs/dbraw/zinc/49/08/04/1129490804.db2.gz ASVVCHWWIPSFQF-DTORHVGOSA-N 1 2 348.082 3.694 20 0 EHADLO Cn1cc(-c2ccc(C[NH2+][C@@H]3c4ccccc4OC[C@H]3F)s2)cn1 ZINC000922521034 1129560990 /nfs/dbraw/zinc/56/09/90/1129560990.db2.gz RKUJKUCXOJFIIX-CRAIPNDOSA-N 1 2 343.427 3.710 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000078657611 1129568664 /nfs/dbraw/zinc/56/86/64/1129568664.db2.gz MBYAJZQKEPILGP-UHFFFAOYSA-N 1 2 331.362 3.765 20 0 EHADLO CCCCOc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC ZINC000922582391 1129582169 /nfs/dbraw/zinc/58/21/69/1129582169.db2.gz LPSWJONSLOEVAE-LJQANCHMSA-N 1 2 341.455 3.905 20 0 EHADLO CCCOc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC ZINC000922583952 1129583478 /nfs/dbraw/zinc/58/34/78/1129583478.db2.gz YHSKJMZJGCSHIR-SFHVURJKSA-N 1 2 327.428 3.515 20 0 EHADLO Clc1ccc(-n2ncc(C[NH2+][C@@H](c3ccccn3)C3CC3)n2)cc1 ZINC000922586050 1129584350 /nfs/dbraw/zinc/58/43/50/1129584350.db2.gz JTKAOSUVPHPHHY-GOSISDBHSA-N 1 2 339.830 3.557 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000428903746 1129592233 /nfs/dbraw/zinc/59/22/33/1129592233.db2.gz DPXCLWSVUZIZOK-UHFFFAOYSA-N 1 2 328.460 3.744 20 0 EHADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)OCc2ccc[nH+]c2N)cc1 ZINC000922611623 1129598195 /nfs/dbraw/zinc/59/81/95/1129598195.db2.gz HDEIWLHWOAENKL-UHFFFAOYSA-N 1 2 340.423 3.705 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cn1 ZINC000158700675 1129612294 /nfs/dbraw/zinc/61/22/94/1129612294.db2.gz XPYYNNJDHLZPDR-NRFANRHFSA-N 1 2 332.451 3.554 20 0 EHADLO CN(C)c1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cn1 ZINC000158700675 1129612295 /nfs/dbraw/zinc/61/22/95/1129612295.db2.gz XPYYNNJDHLZPDR-NRFANRHFSA-N 1 2 332.451 3.554 20 0 EHADLO O=C(CCCCCc1ccc(F)cc1)NCCNc1cccc[nH+]1 ZINC000428941533 1129623592 /nfs/dbraw/zinc/62/35/92/1129623592.db2.gz VXOAVTALXXCUQX-UHFFFAOYSA-N 1 2 329.419 3.552 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)OCc2ccc[nH+]c2N)c1 ZINC000922677057 1129624627 /nfs/dbraw/zinc/62/46/27/1129624627.db2.gz MOCYDNQKUZKUGW-CQSZACIVSA-N 1 2 328.412 3.690 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)OCc2ccc[nH+]c2N)c1 ZINC000922677056 1129624667 /nfs/dbraw/zinc/62/46/67/1129624667.db2.gz MOCYDNQKUZKUGW-AWEZNQCLSA-N 1 2 328.412 3.690 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]Cc1oncc1C(=O)OC)c1ccc(Cl)cc1 ZINC000509033922 1129677970 /nfs/dbraw/zinc/67/79/70/1129677970.db2.gz RREALLCZLORCIT-ZBEGNZNMSA-N 1 2 336.819 3.992 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000735919529 1131391268 /nfs/dbraw/zinc/39/12/68/1131391268.db2.gz FEGMXVPERKHQDC-CQSZACIVSA-N 1 2 335.407 3.634 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000735919529 1131391273 /nfs/dbraw/zinc/39/12/73/1131391273.db2.gz FEGMXVPERKHQDC-CQSZACIVSA-N 1 2 335.407 3.634 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000282403262 1129702211 /nfs/dbraw/zinc/70/22/11/1129702211.db2.gz BYKPRSMINIANCN-LLVKDONJSA-N 1 2 342.365 3.783 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000509068146 1129717949 /nfs/dbraw/zinc/71/79/49/1129717949.db2.gz HULFPRIDBXZNBQ-IIBYNOLFSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000509068146 1129717950 /nfs/dbraw/zinc/71/79/50/1129717950.db2.gz HULFPRIDBXZNBQ-IIBYNOLFSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625193249 1129757968 /nfs/dbraw/zinc/75/79/68/1129757968.db2.gz JGBFXYVJXWBFHS-MRXNPFEDSA-N 1 2 335.407 3.998 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(C(F)F)nc1 ZINC000657919047 1129776882 /nfs/dbraw/zinc/77/68/82/1129776882.db2.gz XDZQLKBBGJFUCF-OTYXRUKQSA-N 1 2 328.309 3.682 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000673771044 1129836899 /nfs/dbraw/zinc/83/68/99/1129836899.db2.gz DTBKXSPVURDMEV-HZPDHXFCSA-N 1 2 329.488 3.611 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673776693 1129844747 /nfs/dbraw/zinc/84/47/47/1129844747.db2.gz KGVCZKPZXUZYFP-HXUWFJFHSA-N 1 2 342.487 3.797 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168743054 1129865092 /nfs/dbraw/zinc/86/50/92/1129865092.db2.gz MBSCNDOAXLDRGA-DNVCBOLYSA-N 1 2 342.870 3.692 20 0 EHADLO Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2noc(C3CCC3)n2)c1 ZINC000625428953 1129868550 /nfs/dbraw/zinc/86/85/50/1129868550.db2.gz PTDPJHUNOHUYBQ-JKSUJKDBSA-N 1 2 349.381 3.705 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000429149476 1129869301 /nfs/dbraw/zinc/86/93/01/1129869301.db2.gz GDVCGSVVFQKDEQ-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000429149476 1129869306 /nfs/dbraw/zinc/86/93/06/1129869306.db2.gz GDVCGSVVFQKDEQ-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cccc4[nH]ccc43)c[nH+]2)C[C@H](C)O1 ZINC000347821155 1129880886 /nfs/dbraw/zinc/88/08/86/1129880886.db2.gz UJWWDUKAUINXBS-GJZGRUSLSA-N 1 2 336.439 3.789 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429161909 1129903249 /nfs/dbraw/zinc/90/32/49/1129903249.db2.gz KOLJAAODFFPIEW-CQSZACIVSA-N 1 2 346.390 3.919 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)Cc2ccccc2O1 ZINC000429165248 1129908891 /nfs/dbraw/zinc/90/88/91/1129908891.db2.gz ZHWIBSWPILBLPG-KRWDZBQOSA-N 1 2 333.435 3.715 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)Cc2ccccc2O1 ZINC000429165248 1129908893 /nfs/dbraw/zinc/90/88/93/1129908893.db2.gz ZHWIBSWPILBLPG-KRWDZBQOSA-N 1 2 333.435 3.715 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cs1 ZINC000282467659 1129909350 /nfs/dbraw/zinc/90/93/50/1129909350.db2.gz LLQNSEQXVQQFEQ-YOEHRIQHSA-N 1 2 339.464 3.705 20 0 EHADLO Cc1cnccc1C[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000625536160 1129918427 /nfs/dbraw/zinc/91/84/27/1129918427.db2.gz HXRLMRPKMJZNTJ-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cnccc1C[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000625536160 1129918430 /nfs/dbraw/zinc/91/84/30/1129918430.db2.gz HXRLMRPKMJZNTJ-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000163312956 1129928869 /nfs/dbraw/zinc/92/88/69/1129928869.db2.gz AVVLJPREMFHJMJ-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000163312956 1129928873 /nfs/dbraw/zinc/92/88/73/1129928873.db2.gz AVVLJPREMFHJMJ-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(C)c1OC ZINC000347861619 1129941289 /nfs/dbraw/zinc/94/12/89/1129941289.db2.gz JBKZDOIFADPRIM-QGZVFWFLSA-N 1 2 333.453 3.647 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(C)c1OC ZINC000347861619 1129941290 /nfs/dbraw/zinc/94/12/90/1129941290.db2.gz JBKZDOIFADPRIM-QGZVFWFLSA-N 1 2 333.453 3.647 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010323 1129958089 /nfs/dbraw/zinc/95/80/89/1129958089.db2.gz PUVOTNANOKUKSP-UGSOOPFHSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010323 1129958093 /nfs/dbraw/zinc/95/80/93/1129958093.db2.gz PUVOTNANOKUKSP-UGSOOPFHSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012575 1129961201 /nfs/dbraw/zinc/96/12/01/1129961201.db2.gz FBKQEIAPBZQRQX-HNAYVOBHSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012575 1129961205 /nfs/dbraw/zinc/96/12/05/1129961205.db2.gz FBKQEIAPBZQRQX-HNAYVOBHSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@H]1C[NH+](Cc2nc(Cc3cccc(F)c3)no2)C[C@H](C)C1(F)F ZINC000625652425 1129968832 /nfs/dbraw/zinc/96/88/32/1129968832.db2.gz JNMJLKVEVZQFNX-RYUDHWBXSA-N 1 2 339.361 3.523 20 0 EHADLO CC1CCC(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)CC1 ZINC000429209876 1129979756 /nfs/dbraw/zinc/97/97/56/1129979756.db2.gz WKGAKZNWEFVAJP-UHFFFAOYSA-N 1 2 349.906 3.609 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000171040304 1130003420 /nfs/dbraw/zinc/00/34/20/1130003420.db2.gz UZGNVLNGTKHFCY-UHFFFAOYSA-N 1 2 329.444 3.656 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674240996 1130035397 /nfs/dbraw/zinc/03/53/97/1130035397.db2.gz VEIWALZQEDLQEY-SFHVURJKSA-N 1 2 325.456 3.587 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000429233751 1130147324 /nfs/dbraw/zinc/14/73/24/1130147324.db2.gz FQMYOKUKOKFIFY-AWEZNQCLSA-N 1 2 341.386 3.784 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000429233751 1130147325 /nfs/dbraw/zinc/14/73/25/1130147325.db2.gz FQMYOKUKOKFIFY-AWEZNQCLSA-N 1 2 341.386 3.784 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)s1 ZINC000625734510 1130192052 /nfs/dbraw/zinc/19/20/52/1130192052.db2.gz OZTDIVNQOJKBEM-LBPRGKRZSA-N 1 2 348.434 3.543 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000674864609 1130211628 /nfs/dbraw/zinc/21/16/28/1130211628.db2.gz APJLEVJUHXNWLQ-AUUYWEPGSA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000674864609 1130211634 /nfs/dbraw/zinc/21/16/34/1130211634.db2.gz APJLEVJUHXNWLQ-AUUYWEPGSA-N 1 2 330.403 3.581 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675258049 1130298965 /nfs/dbraw/zinc/29/89/65/1130298965.db2.gz QCCUYVYEHKLWMO-APWZRJJASA-N 1 2 325.456 3.805 20 0 EHADLO Cc1cccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1F ZINC000675460673 1130391207 /nfs/dbraw/zinc/39/12/07/1130391207.db2.gz VABZKDVVIHZLKM-KRWDZBQOSA-N 1 2 337.398 3.581 20 0 EHADLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000675885949 1130502004 /nfs/dbraw/zinc/50/20/04/1130502004.db2.gz SLOONQMIEQHMQT-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000675885949 1130502006 /nfs/dbraw/zinc/50/20/06/1130502006.db2.gz SLOONQMIEQHMQT-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO Fc1cccc(-c2cnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)c1 ZINC000675975576 1130513348 /nfs/dbraw/zinc/51/33/48/1130513348.db2.gz RJWYAINHMWVXTH-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1C ZINC000675976330 1130514661 /nfs/dbraw/zinc/51/46/61/1130514661.db2.gz MDPFVOYIHZQWGZ-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000676051641 1130519830 /nfs/dbraw/zinc/51/98/30/1130519830.db2.gz ATFIPZYYSIRKJA-QGZVFWFLSA-N 1 2 337.423 3.598 20 0 EHADLO COc1ccc(COCC[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000676043607 1130523043 /nfs/dbraw/zinc/52/30/43/1130523043.db2.gz JODORIVXZCIQFN-UHFFFAOYSA-N 1 2 333.378 3.548 20 0 EHADLO COc1ccc(COCC[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000676043607 1130523047 /nfs/dbraw/zinc/52/30/47/1130523047.db2.gz JODORIVXZCIQFN-UHFFFAOYSA-N 1 2 333.378 3.548 20 0 EHADLO CC(C)(C(=O)NCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000676111834 1130532231 /nfs/dbraw/zinc/53/22/31/1130532231.db2.gz YMYAJFNGZZCDNT-UHFFFAOYSA-N 1 2 333.435 3.741 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000727825657 1130601191 /nfs/dbraw/zinc/60/11/91/1130601191.db2.gz XDXJMCCAPLLSRI-CQSZACIVSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000727825657 1130601193 /nfs/dbraw/zinc/60/11/93/1130601193.db2.gz XDXJMCCAPLLSRI-CQSZACIVSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000727842800 1130601812 /nfs/dbraw/zinc/60/18/12/1130601812.db2.gz FXQVODAVKJIPGW-IBGZPJMESA-N 1 2 348.450 3.693 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2ccc(F)cc2)C1 ZINC000728045376 1130620860 /nfs/dbraw/zinc/62/08/60/1130620860.db2.gz RAJOLUUCRKSAFG-CQSZACIVSA-N 1 2 348.487 3.696 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2ccc(F)cc2)C1 ZINC000728045376 1130620862 /nfs/dbraw/zinc/62/08/62/1130620862.db2.gz RAJOLUUCRKSAFG-CQSZACIVSA-N 1 2 348.487 3.696 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000290454200 1130637234 /nfs/dbraw/zinc/63/72/34/1130637234.db2.gz PLLTZIJGCYDPOB-UHFFFAOYSA-N 1 2 330.457 3.777 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(N)c2ccccc2n1 ZINC000027351652 1130644590 /nfs/dbraw/zinc/64/45/90/1130644590.db2.gz NDNKZIZUZMVPJM-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(N)c2ccccc2n1 ZINC000027351652 1130644593 /nfs/dbraw/zinc/64/45/93/1130644593.db2.gz NDNKZIZUZMVPJM-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO Brc1cnn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000729985355 1130662684 /nfs/dbraw/zinc/66/26/84/1130662684.db2.gz LXXHWWLOMIBRBI-OAHLLOKOSA-N 1 2 334.261 3.558 20 0 EHADLO Brc1cnn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000729985355 1130662687 /nfs/dbraw/zinc/66/26/87/1130662687.db2.gz LXXHWWLOMIBRBI-OAHLLOKOSA-N 1 2 334.261 3.558 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000730024574 1130664447 /nfs/dbraw/zinc/66/44/47/1130664447.db2.gz NYAOMARUCGKNOQ-STQMWFEESA-N 1 2 328.441 3.547 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000730256867 1130691738 /nfs/dbraw/zinc/69/17/38/1130691738.db2.gz DFQCKDQVSVEEBY-LBPRGKRZSA-N 1 2 349.456 3.520 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000730256867 1130691742 /nfs/dbraw/zinc/69/17/42/1130691742.db2.gz DFQCKDQVSVEEBY-LBPRGKRZSA-N 1 2 349.456 3.520 20 0 EHADLO Cc1ccccc1C1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000730260979 1130692547 /nfs/dbraw/zinc/69/25/47/1130692547.db2.gz PLKGUBQJZGMISV-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432587 1130711954 /nfs/dbraw/zinc/71/19/54/1130711954.db2.gz MFEBFWQGAKZZJE-STQMWFEESA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432587 1130711959 /nfs/dbraw/zinc/71/19/59/1130711959.db2.gz MFEBFWQGAKZZJE-STQMWFEESA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432586 1130712053 /nfs/dbraw/zinc/71/20/53/1130712053.db2.gz MFEBFWQGAKZZJE-QWHCGFSZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432586 1130712055 /nfs/dbraw/zinc/71/20/55/1130712055.db2.gz MFEBFWQGAKZZJE-QWHCGFSZSA-N 1 2 347.821 3.691 20 0 EHADLO Cc1cccc(N2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)c1 ZINC000731657897 1130824266 /nfs/dbraw/zinc/82/42/66/1130824266.db2.gz RNWZSRZWJDPAGC-UHFFFAOYSA-N 1 2 338.480 3.700 20 0 EHADLO C[NH+]1CC(Oc2cc(O)ccc2-c2ccc(Br)cc2)C1 ZINC001230615703 1130842742 /nfs/dbraw/zinc/84/27/42/1130842742.db2.gz LUYKSTJXQVVSDB-UHFFFAOYSA-N 1 2 334.213 3.515 20 0 EHADLO O=C(C[NH2+]Cc1c(F)cccc1F)Nc1cccc2ccccc21 ZINC000732231507 1130902729 /nfs/dbraw/zinc/90/27/29/1130902729.db2.gz PCUOZFVAIRGATP-UHFFFAOYSA-N 1 2 326.346 3.846 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cn2c1 ZINC000732412006 1130924784 /nfs/dbraw/zinc/92/47/84/1130924784.db2.gz AVCKPJPOKZXVGO-LLGFUMIMSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1ccc2nc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cn2c1 ZINC000732412006 1130924788 /nfs/dbraw/zinc/92/47/88/1130924788.db2.gz AVCKPJPOKZXVGO-LLGFUMIMSA-N 1 2 335.451 3.993 20 0 EHADLO C[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176523286 1130982670 /nfs/dbraw/zinc/98/26/70/1130982670.db2.gz KHASKVOMXWYAST-PBHICJAKSA-N 1 2 326.444 3.811 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940237 1131095789 /nfs/dbraw/zinc/09/57/89/1131095789.db2.gz DGBCAQOKJWRGDQ-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940237 1131095796 /nfs/dbraw/zinc/09/57/96/1131095796.db2.gz DGBCAQOKJWRGDQ-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO CC[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccccn1 ZINC000282583084 1131106261 /nfs/dbraw/zinc/10/62/61/1131106261.db2.gz VAYNBSNFXXFZRQ-UHFFFAOYSA-N 1 2 348.472 3.907 20 0 EHADLO CC[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccccn1 ZINC000282583084 1131106264 /nfs/dbraw/zinc/10/62/64/1131106264.db2.gz VAYNBSNFXXFZRQ-UHFFFAOYSA-N 1 2 348.472 3.907 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000347994645 1131113591 /nfs/dbraw/zinc/11/35/91/1131113591.db2.gz DIOFAOJXPGVUBA-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000347994641 1131113699 /nfs/dbraw/zinc/11/36/99/1131113699.db2.gz DIOFAOJXPGVUBA-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000626092785 1131153225 /nfs/dbraw/zinc/15/32/25/1131153225.db2.gz FRTYFASUAAXNNY-GUYCJALGSA-N 1 2 349.837 3.718 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000738227456 1131463866 /nfs/dbraw/zinc/46/38/66/1131463866.db2.gz UXVQEMVNGYZFRX-LBPRGKRZSA-N 1 2 337.880 3.674 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000738227456 1131463867 /nfs/dbraw/zinc/46/38/67/1131463867.db2.gz UXVQEMVNGYZFRX-LBPRGKRZSA-N 1 2 337.880 3.674 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309998 1131467599 /nfs/dbraw/zinc/46/75/99/1131467599.db2.gz SQTQLAPBPGNJPG-WMLDXEAASA-N 1 2 327.428 3.698 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309998 1131467601 /nfs/dbraw/zinc/46/76/01/1131467601.db2.gz SQTQLAPBPGNJPG-WMLDXEAASA-N 1 2 327.428 3.698 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000739887641 1131512498 /nfs/dbraw/zinc/51/24/98/1131512498.db2.gz ILOUHGXJNRUIHS-HOCLYGCPSA-N 1 2 345.512 3.860 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000739887641 1131512502 /nfs/dbraw/zinc/51/25/02/1131512502.db2.gz ILOUHGXJNRUIHS-HOCLYGCPSA-N 1 2 345.512 3.860 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCCN(c3ncccn3)C2)nc(C(C)C)[nH+]1 ZINC000179507718 1131550535 /nfs/dbraw/zinc/55/05/35/1131550535.db2.gz WYZLGGINLXWACA-OAHLLOKOSA-N 1 2 340.475 3.594 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860951 1131554011 /nfs/dbraw/zinc/55/40/11/1131554011.db2.gz SPDQXPOTPMJZFL-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860951 1131554014 /nfs/dbraw/zinc/55/40/14/1131554014.db2.gz SPDQXPOTPMJZFL-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO O[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)c1c(Cl)cccc1Cl ZINC000740900607 1131555733 /nfs/dbraw/zinc/55/57/33/1131555733.db2.gz WEYLOKVHWVMEDQ-HNNXBMFYSA-N 1 2 336.222 3.693 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942436 1131559120 /nfs/dbraw/zinc/55/91/20/1131559120.db2.gz FQZWCNJBMOANQQ-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740942436 1131559124 /nfs/dbraw/zinc/55/91/24/1131559124.db2.gz FQZWCNJBMOANQQ-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986846 1131563953 /nfs/dbraw/zinc/56/39/53/1131563953.db2.gz GVABKPHIBHBFNL-HUUCEWRRSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986846 1131563957 /nfs/dbraw/zinc/56/39/57/1131563957.db2.gz GVABKPHIBHBFNL-HUUCEWRRSA-N 1 2 327.399 3.877 20 0 EHADLO O=C(OCc1cccnc1Cl)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741352772 1131597930 /nfs/dbraw/zinc/59/79/30/1131597930.db2.gz KIKZOKKKGUFNPY-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1cccnc1Cl)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741352772 1131597932 /nfs/dbraw/zinc/59/79/32/1131597932.db2.gz KIKZOKKKGUFNPY-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO Cn1cc(-c2cccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2)cn1 ZINC000741680774 1131634985 /nfs/dbraw/zinc/63/49/85/1131634985.db2.gz JLBGIEUPAUXTER-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000180222948 1131672160 /nfs/dbraw/zinc/67/21/60/1131672160.db2.gz IVYSTSITYSQPCU-GHMZBOCLSA-N 1 2 327.350 3.855 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000742097574 1131689068 /nfs/dbraw/zinc/68/90/68/1131689068.db2.gz BXWJFOUGPLJZKP-MRXNPFEDSA-N 1 2 348.443 3.813 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000742097574 1131689071 /nfs/dbraw/zinc/68/90/71/1131689071.db2.gz BXWJFOUGPLJZKP-MRXNPFEDSA-N 1 2 348.443 3.813 20 0 EHADLO CC(C)[N@H+](CC1CC1)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742145807 1131690691 /nfs/dbraw/zinc/69/06/91/1131690691.db2.gz OEKXNPULYFYQBE-UHFFFAOYSA-N 1 2 338.427 3.964 20 0 EHADLO CC(C)[N@@H+](CC1CC1)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742145807 1131690694 /nfs/dbraw/zinc/69/06/94/1131690694.db2.gz OEKXNPULYFYQBE-UHFFFAOYSA-N 1 2 338.427 3.964 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742147820 1131691279 /nfs/dbraw/zinc/69/12/79/1131691279.db2.gz MPBYOVNRDBCAPE-LLVKDONJSA-N 1 2 338.427 3.965 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742147820 1131691281 /nfs/dbraw/zinc/69/12/81/1131691281.db2.gz MPBYOVNRDBCAPE-LLVKDONJSA-N 1 2 338.427 3.965 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1F ZINC000742238550 1131699847 /nfs/dbraw/zinc/69/98/47/1131699847.db2.gz HRMDNMNEVIXUHW-CYBMUJFWSA-N 1 2 342.405 3.507 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1F ZINC000742238550 1131699852 /nfs/dbraw/zinc/69/98/52/1131699852.db2.gz HRMDNMNEVIXUHW-CYBMUJFWSA-N 1 2 342.405 3.507 20 0 EHADLO CC(C)Cc1ccc([C@H]([NH2+]Cc2cn(C)nn2)c2cccs2)cc1 ZINC000742366784 1131710697 /nfs/dbraw/zinc/71/06/97/1131710697.db2.gz ROCHYHPAAZBZEE-IBGZPJMESA-N 1 2 340.496 3.954 20 0 EHADLO CCc1cc(N(Cc2cccc(C)n2)Cc2cccc(C)n2)nc(C)[nH+]1 ZINC000180448508 1131726725 /nfs/dbraw/zinc/72/67/25/1131726725.db2.gz OZXKSJSUVWEOAT-UHFFFAOYSA-N 1 2 347.466 3.961 20 0 EHADLO COC(=O)COc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC001212658715 1131732331 /nfs/dbraw/zinc/73/23/31/1131732331.db2.gz FUVALNQOHWXCNK-UHFFFAOYSA-N 1 2 343.770 3.579 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000742642258 1131765187 /nfs/dbraw/zinc/76/51/87/1131765187.db2.gz FKCAYSLGOFBXDA-SCTDSRPQSA-N 1 2 326.525 3.599 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172558599 1131769906 /nfs/dbraw/zinc/76/99/06/1131769906.db2.gz WGUGPWXOJGPLOS-MISYRCLQSA-N 1 2 341.426 3.836 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576446 1131780209 /nfs/dbraw/zinc/78/02/09/1131780209.db2.gz NDNGBTFWVQSBEE-QWRGUYRKSA-N 1 2 333.806 3.869 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172725360 1131825939 /nfs/dbraw/zinc/82/59/39/1131825939.db2.gz LHBLZXBAXQATMX-LJQANCHMSA-N 1 2 345.483 3.959 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398358 1131912029 /nfs/dbraw/zinc/91/20/29/1131912029.db2.gz GWCGMZRGWCYFNR-GHMZBOCLSA-N 1 2 333.548 3.632 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398358 1131912033 /nfs/dbraw/zinc/91/20/33/1131912033.db2.gz GWCGMZRGWCYFNR-GHMZBOCLSA-N 1 2 333.548 3.632 20 0 EHADLO CC[C@H]1C[N@H+](Cn2ccn(-c3cccc(OC)c3)c2=S)CCS1 ZINC000743399572 1131912051 /nfs/dbraw/zinc/91/20/51/1131912051.db2.gz CCCRFSWSEHHBNR-INIZCTEOSA-N 1 2 349.525 3.802 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2ccn(-c3cccc(OC)c3)c2=S)CCS1 ZINC000743399572 1131912056 /nfs/dbraw/zinc/91/20/56/1131912056.db2.gz CCCRFSWSEHHBNR-INIZCTEOSA-N 1 2 349.525 3.802 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401415 1131912749 /nfs/dbraw/zinc/91/27/49/1131912749.db2.gz ZIMNZBURUGVCEN-KBPBESRZSA-N 1 2 326.535 3.621 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401415 1131912753 /nfs/dbraw/zinc/91/27/53/1131912753.db2.gz ZIMNZBURUGVCEN-KBPBESRZSA-N 1 2 326.535 3.621 20 0 EHADLO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379293 1131914747 /nfs/dbraw/zinc/91/47/47/1131914747.db2.gz MQFRJGUWDHEZRQ-BBRMVZONSA-N 1 2 333.407 3.501 20 0 EHADLO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379293 1131914752 /nfs/dbraw/zinc/91/47/52/1131914752.db2.gz MQFRJGUWDHEZRQ-BBRMVZONSA-N 1 2 333.407 3.501 20 0 EHADLO COC(=O)c1ncc(Cl)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695024 1131924348 /nfs/dbraw/zinc/92/43/48/1131924348.db2.gz JSEOQUIZBZQWGN-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO COc1cc(OC)c(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212695410 1131926819 /nfs/dbraw/zinc/92/68/19/1131926819.db2.gz FUAGDCAXLFPULW-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO O=C1CCCN1c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212695608 1131928815 /nfs/dbraw/zinc/92/88/15/1131928815.db2.gz NAMXIMBBQLLXHJ-UHFFFAOYSA-N 1 2 332.407 3.802 20 0 EHADLO COC(=O)[C@@H](C)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212699142 1131933706 /nfs/dbraw/zinc/93/37/06/1131933706.db2.gz PSXYYVVNWLCSAU-HNNXBMFYSA-N 1 2 335.407 3.952 20 0 EHADLO COCCNc1cccc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698896 1131938258 /nfs/dbraw/zinc/93/82/58/1131938258.db2.gz CKHCCQDVULZCRW-UHFFFAOYSA-N 1 2 340.402 3.872 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OCC ZINC001173078862 1131960147 /nfs/dbraw/zinc/96/01/47/1131960147.db2.gz LPCRFGLIELZZME-WFASDCNBSA-N 1 2 347.377 3.838 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)[nH]1 ZINC001212710422 1131982285 /nfs/dbraw/zinc/98/22/85/1131982285.db2.gz SHRUFXVWSIEXJI-UHFFFAOYSA-N 1 2 345.284 3.936 20 0 EHADLO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCn2cnnc2C1 ZINC001173214459 1132014900 /nfs/dbraw/zinc/01/49/00/1132014900.db2.gz LXZUWFVNJOASHV-QGZVFWFLSA-N 1 2 332.451 3.704 20 0 EHADLO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCn2cnnc2C1 ZINC001173214459 1132014909 /nfs/dbraw/zinc/01/49/09/1132014909.db2.gz LXZUWFVNJOASHV-QGZVFWFLSA-N 1 2 332.451 3.704 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(CC)cc1)[C@@H]2C ZINC001173240026 1132027293 /nfs/dbraw/zinc/02/72/93/1132027293.db2.gz MNDYOOSVIROIRK-DLBZAZTESA-N 1 2 341.499 3.990 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(CC)cc1)[C@@H]2C ZINC001173240026 1132027301 /nfs/dbraw/zinc/02/73/01/1132027301.db2.gz MNDYOOSVIROIRK-DLBZAZTESA-N 1 2 341.499 3.990 20 0 EHADLO COC(=O)[C@H](COC(C)(C)C)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173342585 1132056405 /nfs/dbraw/zinc/05/64/05/1132056405.db2.gz AHHPJDNIMSPXMF-CVEARBPZSA-N 1 2 325.493 3.826 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000744398359 1132085036 /nfs/dbraw/zinc/08/50/36/1132085036.db2.gz PCLJJOXXRNPCMG-UHFFFAOYSA-N 1 2 327.334 3.794 20 0 EHADLO COc1cccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1OC ZINC000744446766 1132102363 /nfs/dbraw/zinc/10/23/63/1132102363.db2.gz BBZKXCSETMDBMA-UHFFFAOYSA-N 1 2 338.407 3.957 20 0 EHADLO CCOc1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001173849125 1132154143 /nfs/dbraw/zinc/15/41/43/1132154143.db2.gz QWUAUUXQZZERIX-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO CCOC(=O)CCCc1[nH+]c2cc(Nc3cccnc3)ccc2n1C ZINC001173858155 1132157138 /nfs/dbraw/zinc/15/71/38/1132157138.db2.gz OIXUAJCOXDTOAI-UHFFFAOYSA-N 1 2 338.411 3.598 20 0 EHADLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001173862212 1132158125 /nfs/dbraw/zinc/15/81/25/1132158125.db2.gz NQTNZVNLGKNAAD-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO CC(=O)Nc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001173830751 1132162475 /nfs/dbraw/zinc/16/24/75/1132162475.db2.gz ZWURJZJCOVQZEU-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000745097484 1132193969 /nfs/dbraw/zinc/19/39/69/1132193969.db2.gz DJZLARXRUDXAEH-SFHVURJKSA-N 1 2 340.379 3.671 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000745097484 1132193974 /nfs/dbraw/zinc/19/39/74/1132193974.db2.gz DJZLARXRUDXAEH-SFHVURJKSA-N 1 2 340.379 3.671 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cnc4ccccc4c3)c[nH+]2)C[C@H](C)O1 ZINC001174001403 1132199924 /nfs/dbraw/zinc/19/99/24/1132199924.db2.gz RZSQTCSMBFWPFN-GASCZTMLSA-N 1 2 334.423 3.987 20 0 EHADLO c1cc(Nc2cccc3cnccc32)cc(OCC[NH+]2CCOCC2)c1 ZINC001174136850 1132250357 /nfs/dbraw/zinc/25/03/57/1132250357.db2.gz BGFDPWCFJBRCLR-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CCCCNC(=O)c1cccc(Nc2ccc(N(C)CC)[nH+]c2)c1 ZINC001174190240 1132275110 /nfs/dbraw/zinc/27/51/10/1132275110.db2.gz FREHEEYDPFVTHC-UHFFFAOYSA-N 1 2 326.444 3.811 20 0 EHADLO CCN(C)C(=O)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001174319733 1132315756 /nfs/dbraw/zinc/31/57/56/1132315756.db2.gz DKDPBHQIQWEAMU-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001174398858 1132332643 /nfs/dbraw/zinc/33/26/43/1132332643.db2.gz BRJYMKULYKBSLP-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174398782 1132332780 /nfs/dbraw/zinc/33/27/80/1132332780.db2.gz ACEFNEHEUKNGER-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO C/C=C/n1cnc2c1ncnc2Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382326 1132344559 /nfs/dbraw/zinc/34/45/59/1132344559.db2.gz KNXMULZOGCKOIS-QPJJXVBHSA-N 1 2 333.399 3.991 20 0 EHADLO COC(=O)c1ncc(Cl)nc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382164 1132345253 /nfs/dbraw/zinc/34/52/53/1132345253.db2.gz BREIANJUTFKTAJ-UHFFFAOYSA-N 1 2 345.790 3.591 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1F)Cn1cc(Br)cn1 ZINC000746061854 1132355019 /nfs/dbraw/zinc/35/50/19/1132355019.db2.gz LIIOBJIEHXHEEW-UHFFFAOYSA-N 1 2 340.240 3.900 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1F)Cn1cc(Br)cn1 ZINC000746061854 1132355025 /nfs/dbraw/zinc/35/50/25/1132355025.db2.gz LIIOBJIEHXHEEW-UHFFFAOYSA-N 1 2 340.240 3.900 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC001174442268 1132358851 /nfs/dbraw/zinc/35/88/51/1132358851.db2.gz YRGVRUCWSLWZRZ-UHFFFAOYSA-N 1 2 340.427 3.809 20 0 EHADLO Ic1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174413028 1132367664 /nfs/dbraw/zinc/36/76/64/1132367664.db2.gz GPAOCMAQJYPVCT-UHFFFAOYSA-N 1 2 335.148 3.863 20 0 EHADLO Brc1cc(Nc2ccc3cn[nH]c3c2)c2[nH+]ccn2c1 ZINC001174497743 1132372746 /nfs/dbraw/zinc/37/27/46/1132372746.db2.gz HTJRLYZQLWJFCL-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1cc(Nc2ccc3c[nH]nc3c2)c2[nH+]ccn2c1 ZINC001174497743 1132372754 /nfs/dbraw/zinc/37/27/54/1132372754.db2.gz HTJRLYZQLWJFCL-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1ccncc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521988 1132399177 /nfs/dbraw/zinc/39/91/77/1132399177.db2.gz DUUUALSUYVHUHO-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO COc1nc(C)nc(Cl)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523063 1132400231 /nfs/dbraw/zinc/40/02/31/1132400231.db2.gz VBLQDRVZFQTBTE-UHFFFAOYSA-N 1 2 333.823 3.576 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188937665 1132439956 /nfs/dbraw/zinc/43/99/56/1132439956.db2.gz LNMISENWNILOTC-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188937665 1132439961 /nfs/dbraw/zinc/43/99/61/1132439961.db2.gz LNMISENWNILOTC-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000189146847 1132442910 /nfs/dbraw/zinc/44/29/10/1132442910.db2.gz IPCIIVPSAKGHTH-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000189146847 1132442921 /nfs/dbraw/zinc/44/29/21/1132442921.db2.gz IPCIIVPSAKGHTH-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)cc1 ZINC000193199694 1132479047 /nfs/dbraw/zinc/47/90/47/1132479047.db2.gz GHZYNRZLKAHOEZ-UHFFFAOYSA-N 1 2 344.465 3.826 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)cc1 ZINC000193199694 1132479052 /nfs/dbraw/zinc/47/90/52/1132479052.db2.gz GHZYNRZLKAHOEZ-UHFFFAOYSA-N 1 2 344.465 3.826 20 0 EHADLO CC(=O)c1ccc(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174975774 1132510205 /nfs/dbraw/zinc/51/02/05/1132510205.db2.gz CMAWRQLMGWSDJD-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)c(F)c(F)c1 ZINC001174958777 1132518179 /nfs/dbraw/zinc/51/81/79/1132518179.db2.gz LLUXOGRPGPNATA-UHFFFAOYSA-N 1 2 348.328 3.999 20 0 EHADLO c1ccc(-c2ccncc2)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174979772 1132533672 /nfs/dbraw/zinc/53/36/72/1132533672.db2.gz HCQWUIRUVNJIBF-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3cc(C(F)(F)F)ccc3F)c[nH+]2)C1 ZINC001175075864 1132560723 /nfs/dbraw/zinc/56/07/23/1132560723.db2.gz LMUCUHZZDJSVGX-LBPRGKRZSA-N 1 2 341.308 3.554 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOC[C@@]1(C)CC ZINC001168848139 1132586876 /nfs/dbraw/zinc/58/68/76/1132586876.db2.gz KCGPDJIOVKMHLL-LJQANCHMSA-N 1 2 331.412 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOC[C@@]1(C)CC ZINC001168848139 1132586886 /nfs/dbraw/zinc/58/68/86/1132586886.db2.gz KCGPDJIOVKMHLL-LJQANCHMSA-N 1 2 331.412 3.610 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CCc1cccnc1 ZINC001175172804 1132588860 /nfs/dbraw/zinc/58/88/60/1132588860.db2.gz DHYYHDWEHFEGFF-OAQYLSRUSA-N 1 2 348.446 3.541 20 0 EHADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC001175183517 1132591690 /nfs/dbraw/zinc/59/16/90/1132591690.db2.gz JJMWIVACNFKMLA-INIZCTEOSA-N 1 2 348.450 3.844 20 0 EHADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC001175183517 1132591697 /nfs/dbraw/zinc/59/16/97/1132591697.db2.gz JJMWIVACNFKMLA-INIZCTEOSA-N 1 2 348.450 3.844 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3nsc4ccccc43)CC2)c1 ZINC001168872555 1132592996 /nfs/dbraw/zinc/59/29/96/1132592996.db2.gz JLUKHQATVPNDQM-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC001168886735 1132598042 /nfs/dbraw/zinc/59/80/42/1132598042.db2.gz TXIAYEIUZAXVAY-UHFFFAOYSA-N 1 2 338.480 3.955 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC001168886735 1132598050 /nfs/dbraw/zinc/59/80/50/1132598050.db2.gz TXIAYEIUZAXVAY-UHFFFAOYSA-N 1 2 338.480 3.955 20 0 EHADLO CN(C)c1ccc(Nc2cncc(Br)c2Cl)c[nH+]1 ZINC001175341879 1132626361 /nfs/dbraw/zinc/62/63/61/1132626361.db2.gz WMUIMPLCISKOMO-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CN(C)c1ccc(Nc2ccc(F)c(F)c2Br)c[nH+]1 ZINC001175341854 1132626396 /nfs/dbraw/zinc/62/63/96/1132626396.db2.gz MPDZFXLYEGMGCC-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO Cc1nc2ccc(NCCc3cn4ccccc4[nH+]3)nc2n1C(C)C ZINC001169001854 1132629355 /nfs/dbraw/zinc/62/93/55/1132629355.db2.gz BEKSYBJRPSLLHE-UHFFFAOYSA-N 1 2 334.427 3.623 20 0 EHADLO COc1c(C)cc(Nc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001175346082 1132629443 /nfs/dbraw/zinc/62/94/43/1132629443.db2.gz LVJJNEWWNFMXRR-UHFFFAOYSA-N 1 2 336.233 3.971 20 0 EHADLO COc1cc(NCCc2cn3ccccc3[nH+]2)ccc1-c1cnc(C)o1 ZINC001169010761 1132631677 /nfs/dbraw/zinc/63/16/77/1132631677.db2.gz GCTWRJVWMMSZSX-UHFFFAOYSA-N 1 2 348.406 3.961 20 0 EHADLO Fc1cc(CNc2cc(-c3ccncc3)cc[nH+]2)c2c(c1)COCO2 ZINC001169094828 1132652825 /nfs/dbraw/zinc/65/28/25/1132652825.db2.gz NKIQDVZWRHSTME-UHFFFAOYSA-N 1 2 337.354 3.761 20 0 EHADLO Cn1cc2cccc(Nc3cc(Br)cn4cc[nH+]c34)c2n1 ZINC001175458231 1132687371 /nfs/dbraw/zinc/68/73/71/1132687371.db2.gz XIELXUUTJKFBJD-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Fc1ccc(Cl)cc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001175512292 1132696074 /nfs/dbraw/zinc/69/60/74/1132696074.db2.gz JKMBQCGHAGVXGY-MRXNPFEDSA-N 1 2 331.822 3.859 20 0 EHADLO Fc1ccc(Cl)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001175512292 1132696078 /nfs/dbraw/zinc/69/60/78/1132696078.db2.gz JKMBQCGHAGVXGY-MRXNPFEDSA-N 1 2 331.822 3.859 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001175602306 1132709322 /nfs/dbraw/zinc/70/93/22/1132709322.db2.gz NGYPQTHYILVEIO-UHFFFAOYSA-N 1 2 336.439 3.708 20 0 EHADLO C[N@@H+]1CCC=C(Nc2ccc(Br)cc2Br)C1 ZINC001175576753 1132714278 /nfs/dbraw/zinc/71/42/78/1132714278.db2.gz SIICMYGPCJKCFV-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO C[N@H+]1CCC=C(Nc2ccc(Br)cc2Br)C1 ZINC001175576753 1132714281 /nfs/dbraw/zinc/71/42/81/1132714281.db2.gz SIICMYGPCJKCFV-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H](C1CCC1)C(F)(F)F ZINC001169284994 1132715992 /nfs/dbraw/zinc/71/59/92/1132715992.db2.gz CWYXZQSACGLARI-AWEZNQCLSA-N 1 2 330.350 3.720 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2nc(F)c(F)c(Cl)c2F)c[nH+]1 ZINC001175712150 1132739914 /nfs/dbraw/zinc/73/99/14/1132739914.db2.gz HLNPGPGFFLJCBJ-UHFFFAOYSA-N 1 2 342.630 3.892 20 0 EHADLO COC(=O)/C=C/c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175715225 1132742005 /nfs/dbraw/zinc/74/20/05/1132742005.db2.gz DNAAAGADQRKNSQ-QPJJXVBHSA-N 1 2 337.301 3.612 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)CCCC(=O)N3)c[nH+]1 ZINC001175714963 1132742256 /nfs/dbraw/zinc/74/22/56/1132742256.db2.gz GWZMNMQLYVXZPI-UHFFFAOYSA-N 1 2 336.317 3.701 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001169406748 1132742721 /nfs/dbraw/zinc/74/27/21/1132742721.db2.gz AUVMKUFCLTYYNX-SFHVURJKSA-N 1 2 348.487 3.536 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001169406748 1132742727 /nfs/dbraw/zinc/74/27/27/1132742727.db2.gz AUVMKUFCLTYYNX-SFHVURJKSA-N 1 2 348.487 3.536 20 0 EHADLO Brc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccn1 ZINC001175743110 1132751174 /nfs/dbraw/zinc/75/11/74/1132751174.db2.gz SJAOQXWEDTZNMF-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCc1ccc(C)cc1 ZINC001175750687 1132753437 /nfs/dbraw/zinc/75/34/37/1132753437.db2.gz YUERWYYTZUTEHS-NRFANRHFSA-N 1 2 343.442 3.831 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ncccc2Br)c[nH+]1 ZINC001175708579 1132754705 /nfs/dbraw/zinc/75/47/05/1132754705.db2.gz SPPPZCBVZDNTJO-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)n(-c2ccccc2)n1 ZINC001175707618 1132755062 /nfs/dbraw/zinc/75/50/62/1132755062.db2.gz IDHHFWJBRACCIU-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)n(CC2CCC2)n1 ZINC001175710881 1132755261 /nfs/dbraw/zinc/75/52/61/1132755261.db2.gz MRRHOSIYPGYYLQ-UHFFFAOYSA-N 1 2 325.338 3.731 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnn(Cc3ccccc3)c2)c[nH+]1 ZINC001175709831 1132755971 /nfs/dbraw/zinc/75/59/71/1132755971.db2.gz MAJCZXLALZKOTI-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO COC(=O)C1(c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)CC1 ZINC001175916422 1132795929 /nfs/dbraw/zinc/79/59/29/1132795929.db2.gz DBUWQKMAESJUMP-UHFFFAOYSA-N 1 2 337.423 3.630 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nc(-c3ccc(F)cc3)nn2c1 ZINC001176121949 1132853872 /nfs/dbraw/zinc/85/38/72/1132853872.db2.gz USJTZLOFLVLCHL-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)COc3ccsc3)cc2)[nH+]c1C ZINC001176211321 1132874418 /nfs/dbraw/zinc/87/44/18/1132874418.db2.gz OOFYNSXEMNUYTD-UHFFFAOYSA-N 1 2 327.409 3.773 20 0 EHADLO COc1ccc(O)c(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)c1 ZINC001176210581 1132874716 /nfs/dbraw/zinc/87/47/16/1132874716.db2.gz ITVTVDSSBIPILG-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO CN(C)c1ncc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001176331010 1132901450 /nfs/dbraw/zinc/90/14/50/1132901450.db2.gz QOLFQZZPSQYXLG-UHFFFAOYSA-N 1 2 344.216 3.597 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2cccc3[nH+]ccn32)ccc1F ZINC001176513523 1132954283 /nfs/dbraw/zinc/95/42/83/1132954283.db2.gz FUQXUORLNPNHJH-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO CCc1cccc(Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)[nH+]1 ZINC001176528999 1132958139 /nfs/dbraw/zinc/95/81/39/1132958139.db2.gz UAJCCMQZHCTLHH-UHFFFAOYSA-N 1 2 345.830 3.513 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)OCCCF)c1cccc(C(F)(F)F)c1 ZINC000767349861 1132987175 /nfs/dbraw/zinc/98/71/75/1132987175.db2.gz PPMMYIPUBIAKPI-AWEZNQCLSA-N 1 2 335.341 3.991 20 0 EHADLO c1ccc(COc2nccnc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176749698 1132991835 /nfs/dbraw/zinc/99/18/35/1132991835.db2.gz GOOSERMTTQXOEX-UHFFFAOYSA-N 1 2 347.422 3.794 20 0 EHADLO OCc1cc(Br)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751033 1132992873 /nfs/dbraw/zinc/99/28/73/1132992873.db2.gz SQKINRIOZBYZPD-UHFFFAOYSA-N 1 2 348.244 3.680 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)cnc1Br ZINC001176750461 1132993030 /nfs/dbraw/zinc/99/30/30/1132993030.db2.gz UHPULNKTPWZITQ-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO O=C(Nc1ccccc1C(F)F)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176965993 1133017008 /nfs/dbraw/zinc/01/70/08/1133017008.db2.gz VIVXJTBTBQEDPU-ZDUSSCGKSA-N 1 2 331.366 3.874 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966223 1133017642 /nfs/dbraw/zinc/01/76/42/1133017642.db2.gz YMJDHXYKBNETJK-MRXNPFEDSA-N 1 2 339.439 3.644 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001177040080 1133024987 /nfs/dbraw/zinc/02/49/87/1133024987.db2.gz JRICQVVGYKHQJL-ZGXWSNOMSA-N 1 2 344.474 3.857 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000767800286 1133056004 /nfs/dbraw/zinc/05/60/04/1133056004.db2.gz QPJVTTYIHRNSSZ-DLBZAZTESA-N 1 2 332.492 3.668 20 0 EHADLO COc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1NC(C)=O ZINC001177345343 1133057398 /nfs/dbraw/zinc/05/73/98/1133057398.db2.gz DBVCDWXJJKFCQC-UHFFFAOYSA-N 1 2 342.424 3.513 20 0 EHADLO CN(CC(=O)Nc1cc(C2CCCCC2)ccc1O)c1cccc[nH+]1 ZINC001177413498 1133063039 /nfs/dbraw/zinc/06/30/39/1133063039.db2.gz RTWOHUBZFRQMMT-UHFFFAOYSA-N 1 2 339.439 3.910 20 0 EHADLO COc1ccc(-c2ccccc2NC(=O)CN(C)c2cccc[nH+]2)cc1 ZINC001177412287 1133063091 /nfs/dbraw/zinc/06/30/91/1133063091.db2.gz APNQQZCOMJAUAA-UHFFFAOYSA-N 1 2 347.418 3.832 20 0 EHADLO CN(CC(=O)Nc1ccc(-c2cccc(O)c2)cc1)c1cccc[nH+]1 ZINC001177413565 1133063503 /nfs/dbraw/zinc/06/35/03/1133063503.db2.gz UGRHMEBWUCVCOF-UHFFFAOYSA-N 1 2 333.391 3.529 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nn1C ZINC000767900467 1133069902 /nfs/dbraw/zinc/06/99/02/1133069902.db2.gz CTKIZZLMKDMMCK-GOSISDBHSA-N 1 2 341.480 3.526 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nn1C ZINC000767900467 1133069909 /nfs/dbraw/zinc/06/99/09/1133069909.db2.gz CTKIZZLMKDMMCK-GOSISDBHSA-N 1 2 341.480 3.526 20 0 EHADLO C[C@H]1C[N@H+](Cn2ccc(Br)n2)CC[C@H]1c1ccccc1 ZINC000767968449 1133078706 /nfs/dbraw/zinc/07/87/06/1133078706.db2.gz GOARYLBWIUVVOR-DZGCQCFKSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@H]1C[N@@H+](Cn2ccc(Br)n2)CC[C@H]1c1ccccc1 ZINC000767968449 1133078711 /nfs/dbraw/zinc/07/87/11/1133078711.db2.gz GOARYLBWIUVVOR-DZGCQCFKSA-N 1 2 334.261 3.729 20 0 EHADLO O=C(Cc1ccc(-c2ccccn2)cc1)Nc1ccn2cc[nH+]c2c1 ZINC001177945270 1133120013 /nfs/dbraw/zinc/12/00/13/1133120013.db2.gz SBWZYLCLGVGEFX-UHFFFAOYSA-N 1 2 328.375 3.578 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(CO)cs2)c(OCCC(C)C)c1 ZINC001177981919 1133125841 /nfs/dbraw/zinc/12/58/41/1133125841.db2.gz XSQBOAPTRLELNR-UHFFFAOYSA-N 1 2 334.485 3.659 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001177995164 1133126581 /nfs/dbraw/zinc/12/65/81/1133126581.db2.gz SXESWGGXCRNUKQ-UHFFFAOYSA-N 1 2 349.837 3.616 20 0 EHADLO CCCCOc1c(F)c(F)ccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118134 1133132155 /nfs/dbraw/zinc/13/21/55/1133132155.db2.gz QMHFHOANTODPIH-GFCCVEGCSA-N 1 2 349.381 3.541 20 0 EHADLO CCCCCCN(Cc1ccc(C)o1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178320629 1133159714 /nfs/dbraw/zinc/15/97/14/1133159714.db2.gz FRCUIFAOCIQQGS-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2CCCC[N@@H+]2CN2CCOC2=S)c1 ZINC000768905120 1133194616 /nfs/dbraw/zinc/19/46/16/1133194616.db2.gz RQWBDWWQIJNZNS-AWEZNQCLSA-N 1 2 344.402 3.807 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2CCCC[N@H+]2CN2CCOC2=S)c1 ZINC000768905120 1133194617 /nfs/dbraw/zinc/19/46/17/1133194617.db2.gz RQWBDWWQIJNZNS-AWEZNQCLSA-N 1 2 344.402 3.807 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001178826994 1133202648 /nfs/dbraw/zinc/20/26/48/1133202648.db2.gz KLXRBOJKYORGHT-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1-c1ccccc1 ZINC001178922302 1133213473 /nfs/dbraw/zinc/21/34/73/1133213473.db2.gz JWNOWYXEJKBGSN-UHFFFAOYSA-N 1 2 331.419 3.886 20 0 EHADLO C[N@@H+](Cc1occc1Br)C[C@@H]1OCCc2ccccc21 ZINC000769025687 1133215963 /nfs/dbraw/zinc/21/59/63/1133215963.db2.gz YJSBDOATBMXCRL-HNNXBMFYSA-N 1 2 336.229 3.788 20 0 EHADLO C[N@H+](Cc1occc1Br)C[C@@H]1OCCc2ccccc21 ZINC000769025687 1133215970 /nfs/dbraw/zinc/21/59/70/1133215970.db2.gz YJSBDOATBMXCRL-HNNXBMFYSA-N 1 2 336.229 3.788 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc3ccnc(Cl)c3s2)[nH+]1 ZINC001179092209 1133226686 /nfs/dbraw/zinc/22/66/86/1133226686.db2.gz IOHNQXYFMPOLBK-UHFFFAOYSA-N 1 2 334.832 3.726 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc3ccnc(Cl)c3s2)c[nH+]1 ZINC001179092209 1133226693 /nfs/dbraw/zinc/22/66/93/1133226693.db2.gz IOHNQXYFMPOLBK-UHFFFAOYSA-N 1 2 334.832 3.726 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179087876 1133227028 /nfs/dbraw/zinc/22/70/28/1133227028.db2.gz HRKVEWKURNPGET-GFCCVEGCSA-N 1 2 335.835 3.579 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179087876 1133227033 /nfs/dbraw/zinc/22/70/33/1133227033.db2.gz HRKVEWKURNPGET-GFCCVEGCSA-N 1 2 335.835 3.579 20 0 EHADLO CC[N@H+](Cc1ccoc1)Cc1ccccc1I ZINC000769297552 1133255634 /nfs/dbraw/zinc/25/56/34/1133255634.db2.gz BVKDMKRDVFZYJA-UHFFFAOYSA-N 1 2 341.192 3.906 20 0 EHADLO CC[N@@H+](Cc1ccoc1)Cc1ccccc1I ZINC000769297552 1133255639 /nfs/dbraw/zinc/25/56/39/1133255639.db2.gz BVKDMKRDVFZYJA-UHFFFAOYSA-N 1 2 341.192 3.906 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000769393855 1133285179 /nfs/dbraw/zinc/28/51/79/1133285179.db2.gz FCVVHTIOLCOLFF-OKZBNKHCSA-N 1 2 348.368 3.537 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000769393855 1133285181 /nfs/dbraw/zinc/28/51/81/1133285181.db2.gz FCVVHTIOLCOLFF-OKZBNKHCSA-N 1 2 348.368 3.537 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cnn(CC2CCC2)c1 ZINC001179809636 1133285951 /nfs/dbraw/zinc/28/59/51/1133285951.db2.gz CWDBWRSTAJMPHC-UHFFFAOYSA-N 1 2 329.835 3.835 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000769445698 1133291351 /nfs/dbraw/zinc/29/13/51/1133291351.db2.gz KNZWVNDVHNSXMT-GFCCVEGCSA-N 1 2 327.268 3.945 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000769445698 1133291357 /nfs/dbraw/zinc/29/13/57/1133291357.db2.gz KNZWVNDVHNSXMT-GFCCVEGCSA-N 1 2 327.268 3.945 20 0 EHADLO Cc1ccc(-c2cccc(C[N@H+](CCS(C)(=O)=O)C3CC3)c2)cc1 ZINC000769525086 1133309281 /nfs/dbraw/zinc/30/92/81/1133309281.db2.gz QDPAOAAKDHFDKF-UHFFFAOYSA-N 1 2 343.492 3.671 20 0 EHADLO Cc1ccc(-c2cccc(C[N@@H+](CCS(C)(=O)=O)C3CC3)c2)cc1 ZINC000769525086 1133309287 /nfs/dbraw/zinc/30/92/87/1133309287.db2.gz QDPAOAAKDHFDKF-UHFFFAOYSA-N 1 2 343.492 3.671 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccnc(Cl)c1Cl ZINC001180001574 1133312931 /nfs/dbraw/zinc/31/29/31/1133312931.db2.gz AMSFGRWPZOKHQJ-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccnc(Cl)c1Cl ZINC001180001574 1133312936 /nfs/dbraw/zinc/31/29/36/1133312936.db2.gz AMSFGRWPZOKHQJ-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000769562537 1133314868 /nfs/dbraw/zinc/31/48/68/1133314868.db2.gz AFSSGNNHWLNPIH-QGZVFWFLSA-N 1 2 337.391 3.641 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000769562537 1133314873 /nfs/dbraw/zinc/31/48/73/1133314873.db2.gz AFSSGNNHWLNPIH-QGZVFWFLSA-N 1 2 337.391 3.641 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC001180215988 1133345587 /nfs/dbraw/zinc/34/55/87/1133345587.db2.gz YVBMCNWZEJQZTL-OAQYLSRUSA-N 1 2 349.434 3.741 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2ccsc2)cc1)c1nnnn1C1CC1 ZINC000769803341 1133348783 /nfs/dbraw/zinc/34/87/83/1133348783.db2.gz ZYZDUAKAMQXDRL-GFCCVEGCSA-N 1 2 325.441 3.587 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1Cl ZINC001180375338 1133363120 /nfs/dbraw/zinc/36/31/20/1133363120.db2.gz PQNHODJOKSGNKB-UHFFFAOYSA-N 1 2 344.764 3.748 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1Cl ZINC001180375338 1133363124 /nfs/dbraw/zinc/36/31/24/1133363124.db2.gz PQNHODJOKSGNKB-UHFFFAOYSA-N 1 2 344.764 3.748 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)s1 ZINC000770302498 1133408337 /nfs/dbraw/zinc/40/83/37/1133408337.db2.gz GDQJZIAXXCVMMO-CJNGLKHVSA-N 1 2 337.510 3.697 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)s1 ZINC000770302498 1133408339 /nfs/dbraw/zinc/40/83/39/1133408339.db2.gz GDQJZIAXXCVMMO-CJNGLKHVSA-N 1 2 337.510 3.697 20 0 EHADLO O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc2[nH+]ccn21 ZINC000770653574 1133460271 /nfs/dbraw/zinc/46/02/71/1133460271.db2.gz CDUFTPIHDGVACZ-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC(C)c1ccc(NC(=O)Cc2cc[nH+]c(N)c2)c(C(F)(F)F)c1 ZINC001181263394 1133474018 /nfs/dbraw/zinc/47/40/18/1133474018.db2.gz KTYYKSUFCBVJQH-UHFFFAOYSA-N 1 2 337.345 3.987 20 0 EHADLO COc1ccc(S[C@H](C)C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770922910 1133484782 /nfs/dbraw/zinc/48/47/82/1133484782.db2.gz UNLUXWJCTLBXGW-CYBMUJFWSA-N 1 2 342.420 3.567 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000770925871 1133485251 /nfs/dbraw/zinc/48/52/51/1133485251.db2.gz QAMFAAUHWMZJPV-NEPJUHHUSA-N 1 2 326.318 3.746 20 0 EHADLO Clc1ccccc1CC1C[NH+](Cc2cnnn2-c2ccccc2)C1 ZINC001181544017 1133499310 /nfs/dbraw/zinc/49/93/10/1133499310.db2.gz KMXVRNQFMYTJFK-UHFFFAOYSA-N 1 2 338.842 3.595 20 0 EHADLO CC1(C)C[C@H](O)CC[N@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001181788483 1133527829 /nfs/dbraw/zinc/52/78/29/1133527829.db2.gz YVADRQSYBBBJDY-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001181788483 1133527834 /nfs/dbraw/zinc/52/78/34/1133527834.db2.gz YVADRQSYBBBJDY-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000771862789 1133602705 /nfs/dbraw/zinc/60/27/05/1133602705.db2.gz YNLAWRVOPKUOLE-GOSISDBHSA-N 1 2 338.432 3.960 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000781336372 1133602958 /nfs/dbraw/zinc/60/29/58/1133602958.db2.gz VXWMBZBJYPLQMW-GJZGRUSLSA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000781336372 1133602959 /nfs/dbraw/zinc/60/29/59/1133602959.db2.gz VXWMBZBJYPLQMW-GJZGRUSLSA-N 1 2 347.402 3.678 20 0 EHADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000771921385 1133609081 /nfs/dbraw/zinc/60/90/81/1133609081.db2.gz DRMGNXUXNHVOPO-SNVBAGLBSA-N 1 2 345.251 3.914 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1ccccc1F ZINC001182287602 1133617171 /nfs/dbraw/zinc/61/71/71/1133617171.db2.gz RKVSIIXUMRQXBK-QZTJIDSGSA-N 1 2 335.382 3.813 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1sc(-c2ccccc2)nc1C(F)F ZINC000772029393 1133635925 /nfs/dbraw/zinc/63/59/25/1133635925.db2.gz JPCWXLNJSCSBMF-UHFFFAOYSA-N 1 2 349.362 3.801 20 0 EHADLO COC(=O)/C(C)=C\C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772330672 1133675886 /nfs/dbraw/zinc/67/58/86/1133675886.db2.gz VOBHWVGMTIYPTO-WCIBSUBMSA-N 1 2 348.493 3.657 20 0 EHADLO COC(=O)/C(C)=C\C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772330672 1133675890 /nfs/dbraw/zinc/67/58/90/1133675890.db2.gz VOBHWVGMTIYPTO-WCIBSUBMSA-N 1 2 348.493 3.657 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc2cncnc2c1)c1ccccc1 ZINC000772527124 1133694751 /nfs/dbraw/zinc/69/47/51/1133694751.db2.gz WBDOIMNEQCZHGR-LJQANCHMSA-N 1 2 335.407 3.618 20 0 EHADLO C[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1 ZINC001182595552 1133706737 /nfs/dbraw/zinc/70/67/37/1133706737.db2.gz TVWVTQMPJSTABF-KBAYOESNSA-N 1 2 332.488 3.893 20 0 EHADLO Cc1ccnc(C[NH+]2CC(Cc3ccsc3)C2)c1Br ZINC001183053532 1133764438 /nfs/dbraw/zinc/76/44/38/1133764438.db2.gz NEBGGKGUEDEAFT-UHFFFAOYSA-N 1 2 337.286 3.889 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)[NH2+]Cc1[nH]ncc1Br ZINC001183323455 1133787819 /nfs/dbraw/zinc/78/78/19/1133787819.db2.gz BFKVKJJCFAALDS-INIZCTEOSA-N 1 2 336.277 3.919 20 0 EHADLO Cc1cc2c(cc1C)O[C@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000786387485 1133843151 /nfs/dbraw/zinc/84/31/51/1133843151.db2.gz DEEWRXLQEZEVDX-FQEVSTJZSA-N 1 2 348.402 3.536 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758825 1133847856 /nfs/dbraw/zinc/84/78/56/1133847856.db2.gz XJBCMFNFVFXDRV-UXHICEINSA-N 1 2 340.442 3.914 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758825 1133847866 /nfs/dbraw/zinc/84/78/66/1133847866.db2.gz XJBCMFNFVFXDRV-UXHICEINSA-N 1 2 340.442 3.914 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001183758250 1133848062 /nfs/dbraw/zinc/84/80/62/1133848062.db2.gz RVDQQRXUPHUCQX-MOPGFXCFSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001183758250 1133848066 /nfs/dbraw/zinc/84/80/66/1133848066.db2.gz RVDQQRXUPHUCQX-MOPGFXCFSA-N 1 2 344.405 3.807 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001183745740 1133853468 /nfs/dbraw/zinc/85/34/68/1133853468.db2.gz OMKWEQHWNVJGKH-CYBMUJFWSA-N 1 2 347.528 3.808 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001183745740 1133853476 /nfs/dbraw/zinc/85/34/76/1133853476.db2.gz OMKWEQHWNVJGKH-CYBMUJFWSA-N 1 2 347.528 3.808 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc12 ZINC001183752240 1133854796 /nfs/dbraw/zinc/85/47/96/1133854796.db2.gz LLWXSCINCUBRIP-FQEVSTJZSA-N 1 2 331.419 3.756 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)ccc12 ZINC001183752240 1133854805 /nfs/dbraw/zinc/85/48/05/1133854805.db2.gz LLWXSCINCUBRIP-FQEVSTJZSA-N 1 2 331.419 3.756 20 0 EHADLO Nc1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c[nH+]1 ZINC001183935196 1133874065 /nfs/dbraw/zinc/87/40/65/1133874065.db2.gz DKDBFRBFCXBBCU-UHFFFAOYSA-N 1 2 343.736 3.907 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Oc1cccc(CCOC)c1)c1ccccc1 ZINC000786749650 1133895165 /nfs/dbraw/zinc/89/51/65/1133895165.db2.gz IZMPCLBIADDTQG-FQEVSTJZSA-N 1 2 341.451 3.864 20 0 EHADLO Cc1cccc2ccn(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC001184192658 1133903510 /nfs/dbraw/zinc/90/35/10/1133903510.db2.gz PTXCJTQPWBCIQF-UHFFFAOYSA-N 1 2 330.391 3.774 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001184221066 1133910390 /nfs/dbraw/zinc/91/03/90/1133910390.db2.gz MMYCVLAHBBCHCX-SHTZXODSSA-N 1 2 337.533 3.920 20 0 EHADLO Cc1[nH]c2ccccc2c1C1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746612128 1133913148 /nfs/dbraw/zinc/91/31/48/1133913148.db2.gz QNUWTYCJGSRCHE-UHFFFAOYSA-N 1 2 327.453 3.537 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(Cl)cc1 ZINC001184328431 1133928209 /nfs/dbraw/zinc/92/82/09/1133928209.db2.gz PKDOIUKNNUBVFV-LBPRGKRZSA-N 1 2 348.777 3.737 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCc4cc(C)cc(C)c4C3)c(C)nc2s1 ZINC001184418400 1133938750 /nfs/dbraw/zinc/93/87/50/1133938750.db2.gz NPTKSCCLKYOHDI-UHFFFAOYSA-N 1 2 326.469 3.583 20 0 EHADLO Cc1nn2c(C[N@H+]3CCc4cc(C)cc(C)c4C3)c(C)nc2s1 ZINC001184418400 1133938752 /nfs/dbraw/zinc/93/87/52/1133938752.db2.gz NPTKSCCLKYOHDI-UHFFFAOYSA-N 1 2 326.469 3.583 20 0 EHADLO C[N@@H+](Cc1ccc2cnccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000787051470 1133944001 /nfs/dbraw/zinc/94/40/01/1133944001.db2.gz YCRCEALMVRWMMR-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO C[N@H+](Cc1ccc2cnccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000787051470 1133944005 /nfs/dbraw/zinc/94/40/05/1133944005.db2.gz YCRCEALMVRWMMR-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000787090967 1133950075 /nfs/dbraw/zinc/95/00/75/1133950075.db2.gz NOAKKJQBILGALC-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000787090967 1133950079 /nfs/dbraw/zinc/95/00/79/1133950079.db2.gz NOAKKJQBILGALC-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001184564450 1133958006 /nfs/dbraw/zinc/95/80/06/1133958006.db2.gz DRASQHYSKMWBPV-UHFFFAOYSA-N 1 2 332.835 3.967 20 0 EHADLO Cn1nc(Br)cc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000787189278 1133971977 /nfs/dbraw/zinc/97/19/77/1133971977.db2.gz OGYPBOGFZCKZBM-UHFFFAOYSA-N 1 2 326.282 3.585 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cnc1Cl ZINC000787290669 1133985006 /nfs/dbraw/zinc/98/50/06/1133985006.db2.gz PNTUHBPHMLGBLI-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cnc1Cl ZINC000787290669 1133985011 /nfs/dbraw/zinc/98/50/11/1133985011.db2.gz PNTUHBPHMLGBLI-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000787273658 1133988501 /nfs/dbraw/zinc/98/85/01/1133988501.db2.gz GFLQXNBKRUDXKF-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000787273658 1133988508 /nfs/dbraw/zinc/98/85/08/1133988508.db2.gz GFLQXNBKRUDXKF-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC001204033305 1134000404 /nfs/dbraw/zinc/00/04/04/1134000404.db2.gz QBKNMLMHKZFINM-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO Oc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC001184965153 1134008413 /nfs/dbraw/zinc/00/84/13/1134008413.db2.gz SNTHFFQWTYZXPI-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185041992 1134024097 /nfs/dbraw/zinc/02/40/97/1134024097.db2.gz AQHARUPJEAFGKF-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000787983709 1134066559 /nfs/dbraw/zinc/06/65/59/1134066559.db2.gz JZNZEHDHXVLSLK-AWEZNQCLSA-N 1 2 338.238 3.938 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000774885415 1134100168 /nfs/dbraw/zinc/10/01/68/1134100168.db2.gz BIXCDOSXNALCHZ-VIFPVBQESA-N 1 2 343.315 3.996 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000774885415 1134100172 /nfs/dbraw/zinc/10/01/72/1134100172.db2.gz BIXCDOSXNALCHZ-VIFPVBQESA-N 1 2 343.315 3.996 20 0 EHADLO CC(=O)N(c1nc(Cn2cc[nH+]c2)cs1)c1c(C)cc(C)cc1C ZINC000788637937 1134154608 /nfs/dbraw/zinc/15/46/08/1134154608.db2.gz CODJTTPNLFJOHM-UHFFFAOYSA-N 1 2 340.452 3.998 20 0 EHADLO O=C([C@H](F)c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788837829 1134180485 /nfs/dbraw/zinc/18/04/85/1134180485.db2.gz UTTBXWLEJUJIBI-GOSISDBHSA-N 1 2 341.430 3.636 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)N[C@H]3CCCc4ccccc43)n2c1 ZINC001186463423 1134224879 /nfs/dbraw/zinc/22/48/79/1134224879.db2.gz UCPMHCIQELKOAM-SFHVURJKSA-N 1 2 334.423 3.520 20 0 EHADLO O=C(c1ccc(Cc2ccccc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC001186543573 1134231036 /nfs/dbraw/zinc/23/10/36/1134231036.db2.gz VNMKXZUSMAUPRS-UHFFFAOYSA-N 1 2 345.446 3.951 20 0 EHADLO CCc1cc(N2Cc3ccc(OC)cc3OC(C)(C)C2)nc(C)[nH+]1 ZINC001186740202 1134250080 /nfs/dbraw/zinc/25/00/80/1134250080.db2.gz SDNCSIWUMRQATP-UHFFFAOYSA-N 1 2 327.428 3.534 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C(=O)O1 ZINC000789485057 1134281975 /nfs/dbraw/zinc/28/19/75/1134281975.db2.gz YLNNRPIKOAJDEP-JMSVASOKSA-N 1 2 349.302 3.717 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C(=O)O1 ZINC000789485057 1134281983 /nfs/dbraw/zinc/28/19/83/1134281983.db2.gz YLNNRPIKOAJDEP-JMSVASOKSA-N 1 2 349.302 3.717 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001273544872 1134362470 /nfs/dbraw/zinc/36/24/70/1134362470.db2.gz YOYDOWSCWCLYJO-IZZDOVSWSA-N 1 2 347.418 3.961 20 0 EHADLO CC(C)(CNc1[nH+]cnc2c1cnn2-c1ccccc1)C1=CCOCC1 ZINC001187897825 1134393709 /nfs/dbraw/zinc/39/37/09/1134393709.db2.gz SWHSERVMROKTAL-UHFFFAOYSA-N 1 2 349.438 3.600 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)c2c1 ZINC000790460732 1134416984 /nfs/dbraw/zinc/41/69/84/1134416984.db2.gz PZMSJKJTCRJBSR-CQSZACIVSA-N 1 2 342.361 3.771 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)c2c1 ZINC000790460732 1134416986 /nfs/dbraw/zinc/41/69/86/1134416986.db2.gz PZMSJKJTCRJBSR-CQSZACIVSA-N 1 2 342.361 3.771 20 0 EHADLO Cc1ccc([C@H]2CC(=O)N(C[N@@H+]3CCc4cc(C)ccc4C3)C2)cc1 ZINC000790452769 1134420039 /nfs/dbraw/zinc/42/00/39/1134420039.db2.gz QWNHSWNMABAZRT-NRFANRHFSA-N 1 2 334.463 3.635 20 0 EHADLO Cc1ccc([C@H]2CC(=O)N(C[N@H+]3CCc4cc(C)ccc4C3)C2)cc1 ZINC000790452769 1134420042 /nfs/dbraw/zinc/42/00/42/1134420042.db2.gz QWNHSWNMABAZRT-NRFANRHFSA-N 1 2 334.463 3.635 20 0 EHADLO C[C@H](CC1CCOCC1)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000790504794 1134428551 /nfs/dbraw/zinc/42/85/51/1134428551.db2.gz OZYGWSADGAFTFW-ZACQAIPSSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)c1nnnn1C1CC1 ZINC000790536267 1134432849 /nfs/dbraw/zinc/43/28/49/1134432849.db2.gz FMODPIBPCAFEGN-AMIZOPFISA-N 1 2 338.242 3.653 20 0 EHADLO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)CCS2 ZINC000790750155 1134462448 /nfs/dbraw/zinc/46/24/48/1134462448.db2.gz NYCHDHLYTQQTAN-WFASDCNBSA-N 1 2 329.473 3.513 20 0 EHADLO Cc1nc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c(C)s1 ZINC000791413157 1134547740 /nfs/dbraw/zinc/54/77/40/1134547740.db2.gz SSDCWVOWUSPOEC-UHFFFAOYSA-N 1 2 341.436 3.540 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccnc1C1CC1 ZINC000791443027 1134551176 /nfs/dbraw/zinc/55/11/76/1134551176.db2.gz PRFMTXYZLDILFG-UHFFFAOYSA-N 1 2 333.391 3.810 20 0 EHADLO Cc1ccc(NC(=O)CCSCc2ccccc2)c(N(C)C)[nH+]1 ZINC000791659140 1134585864 /nfs/dbraw/zinc/58/58/64/1134585864.db2.gz WJUKVCUXCZGPKF-UHFFFAOYSA-N 1 2 329.469 3.718 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)NC(c1ccccc1)c1ccccc1 ZINC001189517629 1134594917 /nfs/dbraw/zinc/59/49/17/1134594917.db2.gz SILCSFXEIXXXRW-UHFFFAOYSA-N 1 2 343.430 3.903 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)o1 ZINC000775268859 1134602034 /nfs/dbraw/zinc/60/20/34/1134602034.db2.gz YTNMGFMMNPJNRG-ZDUSSCGKSA-N 1 2 329.400 3.605 20 0 EHADLO C[C@@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000791901793 1134624387 /nfs/dbraw/zinc/62/43/87/1134624387.db2.gz KQVHPZWGHFVSFF-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO COc1ccc2sc(C(=O)OCc3cc[nH+]c(N)c3)c(C)c2c1 ZINC000791950422 1134637906 /nfs/dbraw/zinc/63/79/06/1134637906.db2.gz NAHXDYWZQVXZJM-UHFFFAOYSA-N 1 2 328.393 3.553 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(C(F)(F)F)c(C)cc1=O ZINC001190020048 1134644938 /nfs/dbraw/zinc/64/49/38/1134644938.db2.gz GDEYJUATVCYBNG-UHFFFAOYSA-N 1 2 347.340 3.718 20 0 EHADLO Nc1cc(COC(=O)Cc2cc3c(ccc4ccccc34)o2)cc[nH+]1 ZINC000792048887 1134649861 /nfs/dbraw/zinc/64/98/61/1134649861.db2.gz FSHARRZTGQNUJR-UHFFFAOYSA-N 1 2 332.359 3.849 20 0 EHADLO O=C(Nc1cccc2nsnc21)Nc1ccccc1-n1cc[nH+]c1 ZINC001190274732 1134676284 /nfs/dbraw/zinc/67/62/84/1134676284.db2.gz SPSWHMDQWJPUKY-UHFFFAOYSA-N 1 2 336.380 3.521 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)c(C)c1Br ZINC000792347094 1134683181 /nfs/dbraw/zinc/68/31/81/1134683181.db2.gz SEHNKOLYYWUGJX-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO CCCn1c(C[NH2+]Cc2cccnc2OC(C)C)nc2ccccc21 ZINC000077434559 1134705217 /nfs/dbraw/zinc/70/52/17/1134705217.db2.gz IKRBSQHAAKIOOP-UHFFFAOYSA-N 1 2 338.455 3.918 20 0 EHADLO CCS(=O)(=O)c1ccc(CNc2cc[nH+]c(OCC(C)C)c2)cc1 ZINC001170331452 1134750520 /nfs/dbraw/zinc/75/05/20/1134750520.db2.gz YXWAHXWEFMJLSV-UHFFFAOYSA-N 1 2 348.468 3.522 20 0 EHADLO CC(C)Oc1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001170346791 1134759979 /nfs/dbraw/zinc/75/99/79/1134759979.db2.gz SHHZCUIDMXGDCQ-UHFFFAOYSA-N 1 2 333.476 3.565 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000792707198 1134783535 /nfs/dbraw/zinc/78/35/35/1134783535.db2.gz LRRDLRSGXOEXDL-MRXNPFEDSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000792707198 1134783540 /nfs/dbraw/zinc/78/35/40/1134783540.db2.gz LRRDLRSGXOEXDL-MRXNPFEDSA-N 1 2 344.405 3.679 20 0 EHADLO CCc1cccc(F)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000792850662 1134808701 /nfs/dbraw/zinc/80/87/01/1134808701.db2.gz XWPOTJOKEBOQLU-UHFFFAOYSA-N 1 2 328.431 3.961 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792898832 1134817069 /nfs/dbraw/zinc/81/70/69/1134817069.db2.gz ASTZVEAEDBRBIE-MFKMUULPSA-N 1 2 334.268 3.550 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792898832 1134817077 /nfs/dbraw/zinc/81/70/77/1134817077.db2.gz ASTZVEAEDBRBIE-MFKMUULPSA-N 1 2 334.268 3.550 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001191387367 1134854370 /nfs/dbraw/zinc/85/43/70/1134854370.db2.gz VBQDPVYMBVIYOH-UHFFFAOYSA-N 1 2 329.375 3.604 20 0 EHADLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1c[nH+]cn1C ZINC000793164434 1134859216 /nfs/dbraw/zinc/85/92/16/1134859216.db2.gz XAZJTHRHAJZYOA-HNNXBMFYSA-N 1 2 336.391 3.598 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@H]2CCC[C@@H](OC)C2)n1 ZINC000793154841 1134864954 /nfs/dbraw/zinc/86/49/54/1134864954.db2.gz UIOVQFFWDHPZQY-DZGCQCFKSA-N 1 2 339.505 3.519 20 0 EHADLO CC(C)CC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001191495386 1134873485 /nfs/dbraw/zinc/87/34/85/1134873485.db2.gz KYCWEMMAIWRHCR-KRWDZBQOSA-N 1 2 336.426 3.828 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nccnc1-c1ccccc1 ZINC001191463610 1134874837 /nfs/dbraw/zinc/87/48/37/1134874837.db2.gz NDDPBUUDFFSYLZ-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)OCCc3c[nH+]cn3C)sc2c1 ZINC000793242287 1134887413 /nfs/dbraw/zinc/88/74/13/1134887413.db2.gz OUUDPUSEIJYURR-UHFFFAOYSA-N 1 2 334.828 3.996 20 0 EHADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)c1c(Cl)cccc1Cl ZINC000793252942 1134888870 /nfs/dbraw/zinc/88/88/70/1134888870.db2.gz MEVYDZCLBKUUNX-SNVBAGLBSA-N 1 2 327.211 3.616 20 0 EHADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793259696 1134891651 /nfs/dbraw/zinc/89/16/51/1134891651.db2.gz VAAXFQKIQTWKKZ-UHFFFAOYSA-N 1 2 342.439 3.504 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000793485789 1134939196 /nfs/dbraw/zinc/93/91/96/1134939196.db2.gz DBUPZXSYPUVFOR-RTWAWAEBSA-N 1 2 334.463 3.872 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000793485789 1134939203 /nfs/dbraw/zinc/93/92/03/1134939203.db2.gz DBUPZXSYPUVFOR-RTWAWAEBSA-N 1 2 334.463 3.872 20 0 EHADLO CCCCCCNC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001191947977 1134945334 /nfs/dbraw/zinc/94/53/34/1134945334.db2.gz ZEHHVEWMJYTTKN-MRXNPFEDSA-N 1 2 335.467 3.622 20 0 EHADLO CCCCCCNC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001191947977 1134945340 /nfs/dbraw/zinc/94/53/40/1134945340.db2.gz ZEHHVEWMJYTTKN-MRXNPFEDSA-N 1 2 335.467 3.622 20 0 EHADLO C[C@]12CC[N@H+](CN3c4cccc5cccc(c45)C3=O)C[C@H]1C2(F)F ZINC000793525324 1134947172 /nfs/dbraw/zinc/94/71/72/1134947172.db2.gz IENVCHYPYIFGLG-QAPCUYQASA-N 1 2 328.362 3.735 20 0 EHADLO C[C@]12CC[N@@H+](CN3c4cccc5cccc(c45)C3=O)C[C@H]1C2(F)F ZINC000793525324 1134947179 /nfs/dbraw/zinc/94/71/79/1134947179.db2.gz IENVCHYPYIFGLG-QAPCUYQASA-N 1 2 328.362 3.735 20 0 EHADLO CN(CCO)c1ccc([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC000793543421 1134952447 /nfs/dbraw/zinc/95/24/47/1134952447.db2.gz LTHHNHYPPRFUJG-PMACEKPBSA-N 1 2 340.467 3.773 20 0 EHADLO Cc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC001192201822 1134978931 /nfs/dbraw/zinc/97/89/31/1134978931.db2.gz XOFYGNULBVRQGP-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC001192201822 1134978935 /nfs/dbraw/zinc/97/89/35/1134978935.db2.gz XOFYGNULBVRQGP-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001192317078 1134998319 /nfs/dbraw/zinc/99/83/19/1134998319.db2.gz NEQPEBKZQRREIZ-UHFFFAOYSA-N 1 2 339.848 3.537 20 0 EHADLO CC(C)O[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000794249392 1135031506 /nfs/dbraw/zinc/03/15/06/1135031506.db2.gz LYWPXWYCGSHDMY-HXUWFJFHSA-N 1 2 349.434 3.655 20 0 EHADLO C[C@@H]1[C@@H](C)[N@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672862 1135043631 /nfs/dbraw/zinc/04/36/31/1135043631.db2.gz JYBZYNYQOKYCKR-GHMZBOCLSA-N 1 2 342.427 3.569 20 0 EHADLO C[C@@H]1[C@@H](C)[N@@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672862 1135043633 /nfs/dbraw/zinc/04/36/33/1135043633.db2.gz JYBZYNYQOKYCKR-GHMZBOCLSA-N 1 2 342.427 3.569 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccc([S@@](C)=O)cc1 ZINC001192813975 1135057871 /nfs/dbraw/zinc/05/78/71/1135057871.db2.gz FTLKLHHBIYRPAS-CHNSCGDPSA-N 1 2 343.279 3.977 20 0 EHADLO CN(C)c1ccc(C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000775549037 1135058011 /nfs/dbraw/zinc/05/80/11/1135058011.db2.gz XEPXAKXWBNNREI-UHFFFAOYSA-N 1 2 347.466 3.662 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804435641 1135068751 /nfs/dbraw/zinc/06/87/51/1135068751.db2.gz HEIQDPBWDXMTAU-NSHGMRRFSA-N 1 2 338.536 3.695 20 0 EHADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129479788 1135068777 /nfs/dbraw/zinc/06/87/77/1135068777.db2.gz ARLUGYWVZSSBHQ-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116266 1135103779 /nfs/dbraw/zinc/10/37/79/1135103779.db2.gz ANKUVXVUZYXKSF-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116266 1135103781 /nfs/dbraw/zinc/10/37/81/1135103781.db2.gz ANKUVXVUZYXKSF-MOPGFXCFSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H](C)C(C)(C)C ZINC001129588350 1135116148 /nfs/dbraw/zinc/11/61/48/1135116148.db2.gz UPDBIMJZQOIDLR-HZPDHXFCSA-N 1 2 327.472 3.866 20 0 EHADLO Cc1cccc2c1C[N@H+](CC(=O)Nc1nc3ccccc3s1)CC2 ZINC001193354618 1135128371 /nfs/dbraw/zinc/12/83/71/1135128371.db2.gz BXXGHIHIXQUOMG-UHFFFAOYSA-N 1 2 337.448 3.602 20 0 EHADLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1nc3ccccc3s1)CC2 ZINC001193354618 1135128373 /nfs/dbraw/zinc/12/83/73/1135128373.db2.gz BXXGHIHIXQUOMG-UHFFFAOYSA-N 1 2 337.448 3.602 20 0 EHADLO O=C(NC1CC[NH+](Cc2c(F)cccc2F)CC1)OC1CCCC1 ZINC001193584234 1135155276 /nfs/dbraw/zinc/15/52/76/1135155276.db2.gz XSBPCAMSHLYDNI-UHFFFAOYSA-N 1 2 338.398 3.598 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC001193796988 1135185362 /nfs/dbraw/zinc/18/53/62/1135185362.db2.gz JHEKTMBGRCOHQT-NRFANRHFSA-N 1 2 340.442 3.524 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC001193796988 1135185367 /nfs/dbraw/zinc/18/53/67/1135185367.db2.gz JHEKTMBGRCOHQT-NRFANRHFSA-N 1 2 340.442 3.524 20 0 EHADLO CCCC[C@H](CC)COC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001193961091 1135206501 /nfs/dbraw/zinc/20/65/01/1135206501.db2.gz ULQIKNCAISFLRL-SFHVURJKSA-N 1 2 347.503 3.595 20 0 EHADLO CC[C@@H]1CC([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484495 1135295111 /nfs/dbraw/zinc/29/51/11/1135295111.db2.gz NKFFBMAFRHRISL-XOUADPBQSA-N 1 2 346.462 3.935 20 0 EHADLO CC[C@@H]1CC([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484495 1135295118 /nfs/dbraw/zinc/29/51/18/1135295118.db2.gz NKFFBMAFRHRISL-XOUADPBQSA-N 1 2 346.462 3.935 20 0 EHADLO CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC000805614453 1135297885 /nfs/dbraw/zinc/29/78/85/1135297885.db2.gz HLHZNJYEZSFNCJ-HNNXBMFYSA-N 1 2 331.456 3.799 20 0 EHADLO Cc1ccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)n1 ZINC000805668749 1135309522 /nfs/dbraw/zinc/30/95/22/1135309522.db2.gz IHRXMVPGGRINHE-UHFFFAOYSA-N 1 2 341.798 3.515 20 0 EHADLO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928243 1135311939 /nfs/dbraw/zinc/31/19/39/1135311939.db2.gz KGWDIJUZVUHDSS-UGSOOPFHSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928243 1135311946 /nfs/dbraw/zinc/31/19/46/1135311946.db2.gz KGWDIJUZVUHDSS-UGSOOPFHSA-N 1 2 343.389 3.512 20 0 EHADLO CC[C@H](C)COC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001194830141 1135327559 /nfs/dbraw/zinc/32/75/59/1135327559.db2.gz IXLOXFHEGAUSRQ-ZDUSSCGKSA-N 1 2 340.414 3.702 20 0 EHADLO CC[C@@H](C)COC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001194830140 1135327618 /nfs/dbraw/zinc/32/76/18/1135327618.db2.gz IXLOXFHEGAUSRQ-CYBMUJFWSA-N 1 2 340.414 3.702 20 0 EHADLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccccc1S(=O)(=O)N(C)C ZINC001194885060 1135335024 /nfs/dbraw/zinc/33/50/24/1135335024.db2.gz VJGSPNQHRYZPGY-UHFFFAOYSA-N 1 2 347.484 3.582 20 0 EHADLO Cc1cc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)n(C2CCC2)n1 ZINC001194888170 1135343409 /nfs/dbraw/zinc/34/34/09/1135343409.db2.gz WTADSKQVTFJUJY-UHFFFAOYSA-N 1 2 335.411 3.569 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@H+](Cc1nc3ccccc3c(=O)n1C)C2 ZINC001170499135 1135394983 /nfs/dbraw/zinc/39/49/83/1135394983.db2.gz CXKBTDALYYGLQI-UHFFFAOYSA-N 1 2 347.462 3.579 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1nc3ccccc3c(=O)n1C)C2 ZINC001170499135 1135394986 /nfs/dbraw/zinc/39/49/86/1135394986.db2.gz CXKBTDALYYGLQI-UHFFFAOYSA-N 1 2 347.462 3.579 20 0 EHADLO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001195319453 1135413712 /nfs/dbraw/zinc/41/37/12/1135413712.db2.gz ORMQMQYKZJPKRP-UHFFFAOYSA-N 1 2 349.500 3.618 20 0 EHADLO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001195319453 1135413716 /nfs/dbraw/zinc/41/37/16/1135413716.db2.gz ORMQMQYKZJPKRP-UHFFFAOYSA-N 1 2 349.500 3.618 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)Cc1ccco1)Cc1ccccc1Cl ZINC000806441378 1135442455 /nfs/dbraw/zinc/44/24/55/1135442455.db2.gz IFDZQNHCECQKRR-AWEZNQCLSA-N 1 2 334.847 3.502 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccco1)Cc1ccccc1Cl ZINC000806441378 1135442459 /nfs/dbraw/zinc/44/24/59/1135442459.db2.gz IFDZQNHCECQKRR-AWEZNQCLSA-N 1 2 334.847 3.502 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001195703758 1135457559 /nfs/dbraw/zinc/45/75/59/1135457559.db2.gz CINNCUDEVCUDCJ-CABCVRRESA-N 1 2 345.842 3.565 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001195703758 1135457561 /nfs/dbraw/zinc/45/75/61/1135457561.db2.gz CINNCUDEVCUDCJ-CABCVRRESA-N 1 2 345.842 3.565 20 0 EHADLO COc1ccc(NC(=S)N[C@@H](C)c2c[nH+]c3c(C)cccn23)cc1 ZINC001195723906 1135460494 /nfs/dbraw/zinc/46/04/94/1135460494.db2.gz BSUYUYXZNJCQHG-ZDUSSCGKSA-N 1 2 340.452 3.699 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1F ZINC001195757045 1135461235 /nfs/dbraw/zinc/46/12/35/1135461235.db2.gz KROBINJRVNAMRF-HNNXBMFYSA-N 1 2 327.359 3.822 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)[C@@H](C)CO1 ZINC001195747623 1135466582 /nfs/dbraw/zinc/46/65/82/1135466582.db2.gz FUXAIUGWFPEDHB-LPHOPBHVSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)[C@@H](C)CO1 ZINC001195747623 1135466587 /nfs/dbraw/zinc/46/65/87/1135466587.db2.gz FUXAIUGWFPEDHB-LPHOPBHVSA-N 1 2 326.440 3.660 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1c(Cl)cc(Cl)nc1Cl ZINC001195908509 1135489312 /nfs/dbraw/zinc/48/93/12/1135489312.db2.gz BJBSZIBYMDSSRI-UHFFFAOYSA-N 1 2 342.613 3.600 20 0 EHADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC001196092284 1135516020 /nfs/dbraw/zinc/51/60/20/1135516020.db2.gz HFPBBYKVGXEOMN-LJQANCHMSA-N 1 2 347.842 3.647 20 0 EHADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC001196092284 1135516025 /nfs/dbraw/zinc/51/60/25/1135516025.db2.gz HFPBBYKVGXEOMN-LJQANCHMSA-N 1 2 347.842 3.647 20 0 EHADLO CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)OC(C)(C)C ZINC001196124914 1135523677 /nfs/dbraw/zinc/52/36/77/1135523677.db2.gz OTEOLOFZQFKREU-ZNMIVQPWSA-N 1 2 325.493 3.823 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC001196402109 1135556309 /nfs/dbraw/zinc/55/63/09/1135556309.db2.gz GYBSYJXPIAHJTM-ZDUSSCGKSA-N 1 2 333.863 3.760 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC001196402109 1135556317 /nfs/dbraw/zinc/55/63/17/1135556317.db2.gz GYBSYJXPIAHJTM-ZDUSSCGKSA-N 1 2 333.863 3.760 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC001131023927 1135562398 /nfs/dbraw/zinc/56/23/98/1135562398.db2.gz SHQGNQWEEWSSOD-JKSUJKDBSA-N 1 2 330.472 3.863 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000867179838 1135575134 /nfs/dbraw/zinc/57/51/34/1135575134.db2.gz BYDCAWNVYYQJKY-HOTGVXAUSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000867179838 1135575139 /nfs/dbraw/zinc/57/51/39/1135575139.db2.gz BYDCAWNVYYQJKY-HOTGVXAUSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H](C)C3CCC3)n2)C1 ZINC000867182135 1135578266 /nfs/dbraw/zinc/57/82/66/1135578266.db2.gz SCVSEYDDFJUTLN-YJBOKZPZSA-N 1 2 341.455 3.855 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H](C)C3CCC3)n2)C1 ZINC000867182135 1135578270 /nfs/dbraw/zinc/57/82/70/1135578270.db2.gz SCVSEYDDFJUTLN-YJBOKZPZSA-N 1 2 341.455 3.855 20 0 EHADLO CC/C(C)=C/c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181676 1135578381 /nfs/dbraw/zinc/57/83/81/1135578381.db2.gz NGYPSLFFROTQRY-GWKQRERASA-N 1 2 327.428 3.765 20 0 EHADLO CC/C(C)=C/c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181676 1135578385 /nfs/dbraw/zinc/57/83/85/1135578385.db2.gz NGYPSLFFROTQRY-GWKQRERASA-N 1 2 327.428 3.765 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196581699 1135585505 /nfs/dbraw/zinc/58/55/05/1135585505.db2.gz GOKGYJIQMINVCQ-UHFFFAOYSA-N 1 2 343.333 3.796 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccnc(C(F)(F)F)c1 ZINC000808075760 1135612628 /nfs/dbraw/zinc/61/26/28/1135612628.db2.gz ZWWKWZAZSGLUAW-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cncc(-c2ccccc2F)c1 ZINC001196849065 1135618401 /nfs/dbraw/zinc/61/84/01/1135618401.db2.gz OHDGSNRELDYYDP-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CCN(c2ccccc2)C1=O ZINC000808137244 1135622659 /nfs/dbraw/zinc/62/26/59/1135622659.db2.gz XMKGFTJEJOUGDC-AWEZNQCLSA-N 1 2 327.453 3.567 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CCN(c2ccccc2)C1=O ZINC000808137244 1135622660 /nfs/dbraw/zinc/62/26/60/1135622660.db2.gz XMKGFTJEJOUGDC-AWEZNQCLSA-N 1 2 327.453 3.567 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(=S)s1 ZINC000747465748 1135630816 /nfs/dbraw/zinc/63/08/16/1135630816.db2.gz AQXRZJOWSLXZID-HIFRSBDPSA-N 1 2 349.525 3.983 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(=S)s1 ZINC000747465748 1135630817 /nfs/dbraw/zinc/63/08/17/1135630817.db2.gz AQXRZJOWSLXZID-HIFRSBDPSA-N 1 2 349.525 3.983 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(=S)o1 ZINC000808231044 1135633779 /nfs/dbraw/zinc/63/37/79/1135633779.db2.gz WQRDXALGLMTPNK-AWEZNQCLSA-N 1 2 345.468 3.961 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c(=S)o1 ZINC000808231044 1135633782 /nfs/dbraw/zinc/63/37/82/1135633782.db2.gz WQRDXALGLMTPNK-AWEZNQCLSA-N 1 2 345.468 3.961 20 0 EHADLO Cc1ccc(NC(=O)c2cc(Cl)c(Cl)nc2C)c(N(C)C)[nH+]1 ZINC000808618748 1135701191 /nfs/dbraw/zinc/70/11/91/1135701191.db2.gz LTDJKILZGUOVFV-UHFFFAOYSA-N 1 2 339.226 3.719 20 0 EHADLO Cc1ccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001197905872 1135754252 /nfs/dbraw/zinc/75/42/52/1135754252.db2.gz IHLHTMSYHAHMSO-UHFFFAOYSA-N 1 2 327.453 3.630 20 0 EHADLO COc1cc(OC)cc([C@H](C)OC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC001131599437 1135801917 /nfs/dbraw/zinc/80/19/17/1135801917.db2.gz OGKNKTKIFBUELY-ZDUSSCGKSA-N 1 2 340.379 3.578 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H]2CCC(C)(C)CO2)CCCCC1 ZINC001198491840 1135822955 /nfs/dbraw/zinc/82/29/55/1135822955.db2.gz VRAXICKNVOIESD-OAHLLOKOSA-N 1 2 325.493 3.826 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)no1 ZINC000775880750 1135837459 /nfs/dbraw/zinc/83/74/59/1135837459.db2.gz NGHTXEXXGUBQSH-UHFFFAOYSA-N 1 2 342.487 3.858 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001198697495 1135845293 /nfs/dbraw/zinc/84/52/93/1135845293.db2.gz XFPFTKOVELYFGR-UHFFFAOYSA-N 1 2 344.418 3.934 20 0 EHADLO C[N@H+](Cc1ncc(C2OCCO2)s1)[C@@H]1CCCc2ccccc21 ZINC000809540660 1135849318 /nfs/dbraw/zinc/84/93/18/1135849318.db2.gz YQOWQVACWJBMPS-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO C[N@@H+](Cc1ncc(C2OCCO2)s1)[C@@H]1CCCc2ccccc21 ZINC000809540660 1135849322 /nfs/dbraw/zinc/84/93/22/1135849322.db2.gz YQOWQVACWJBMPS-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000809568768 1135852135 /nfs/dbraw/zinc/85/21/35/1135852135.db2.gz XCHTVMNUGXBSRX-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000809568768 1135852138 /nfs/dbraw/zinc/85/21/38/1135852138.db2.gz XCHTVMNUGXBSRX-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)C2 ZINC001198853115 1135860783 /nfs/dbraw/zinc/86/07/83/1135860783.db2.gz UVHXPJCMZQOIJT-UHFFFAOYSA-N 1 2 330.378 3.578 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@H+](CC(=O)Nc1ccc(F)cc1F)C2 ZINC001198853115 1135860786 /nfs/dbraw/zinc/86/07/86/1135860786.db2.gz UVHXPJCMZQOIJT-UHFFFAOYSA-N 1 2 330.378 3.578 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000809655714 1135866234 /nfs/dbraw/zinc/86/62/34/1135866234.db2.gz JORPWQNZLMMAQW-IAQYHMDHSA-N 1 2 340.876 3.669 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000809655714 1135866238 /nfs/dbraw/zinc/86/62/38/1135866238.db2.gz JORPWQNZLMMAQW-IAQYHMDHSA-N 1 2 340.876 3.669 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2=O ZINC001198905748 1135868599 /nfs/dbraw/zinc/86/85/99/1135868599.db2.gz DPDZVMQWIHOVJI-UHFFFAOYSA-N 1 2 345.402 3.703 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)s1 ZINC001199285939 1135892273 /nfs/dbraw/zinc/89/22/73/1135892273.db2.gz JUBSUJFISYTBNY-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO CCn1ccnc1C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC001199295275 1135893382 /nfs/dbraw/zinc/89/33/82/1135893382.db2.gz HNDVPGHVVUDNPX-UHFFFAOYSA-N 1 2 326.375 3.519 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C(F)(F)F ZINC000775980305 1135908040 /nfs/dbraw/zinc/90/80/40/1135908040.db2.gz PCUBPWRKJXUKGY-VXGBXAGGSA-N 1 2 348.413 3.574 20 0 EHADLO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000509462147 1135931903 /nfs/dbraw/zinc/93/19/03/1135931903.db2.gz GEFAYTCXXIFOIN-REPLKXPHSA-N 1 2 334.467 3.992 20 0 EHADLO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000509462147 1135931905 /nfs/dbraw/zinc/93/19/05/1135931905.db2.gz GEFAYTCXXIFOIN-REPLKXPHSA-N 1 2 334.467 3.992 20 0 EHADLO FC(F)(F)c1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001199865144 1135935660 /nfs/dbraw/zinc/93/56/60/1135935660.db2.gz PXTDBWUCENEGAI-UHFFFAOYSA-N 1 2 346.356 3.635 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001137964463 1135958000 /nfs/dbraw/zinc/95/80/00/1135958000.db2.gz BTVMPXKDFAMLGS-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001137964463 1135958003 /nfs/dbraw/zinc/95/80/03/1135958003.db2.gz BTVMPXKDFAMLGS-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO CCCCCCNC(=S)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001200961362 1135968689 /nfs/dbraw/zinc/96/86/89/1135968689.db2.gz VNIVTLGNJPCDOF-UHFFFAOYSA-N 1 2 348.491 3.615 20 0 EHADLO CC1(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000810628135 1135985593 /nfs/dbraw/zinc/98/55/93/1135985593.db2.gz BCYMSFFYEFAUCD-UHFFFAOYSA-N 1 2 326.440 3.988 20 0 EHADLO CCc1ccccc1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201144872 1135988696 /nfs/dbraw/zinc/98/86/96/1135988696.db2.gz ZIZVIGZXWDVGNM-UHFFFAOYSA-N 1 2 341.480 3.884 20 0 EHADLO CN(C)c1cc(COC(=O)c2nc3ccccc3cc2Cl)cc[nH+]1 ZINC000810665057 1135990593 /nfs/dbraw/zinc/99/05/93/1135990593.db2.gz PNNLTXZXFRGWRD-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO CC[C@@H]1CCC[C@H](CNc2ccc(N3CCC(CO)CC3)c[nH+]2)C1 ZINC001201180321 1135992775 /nfs/dbraw/zinc/99/27/75/1135992775.db2.gz SMIUQOFLCFYURG-AEFFLSMTSA-N 1 2 331.504 3.919 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC1(c2ccccc2)CC1 ZINC000810694990 1135997531 /nfs/dbraw/zinc/99/75/31/1135997531.db2.gz KQORNAZIWVEYQB-UHFFFAOYSA-N 1 2 346.430 3.749 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccccc3)nn2CC2CCOCC2)c[nH+]1 ZINC001201279917 1136000653 /nfs/dbraw/zinc/00/06/53/1136000653.db2.gz WDALTXAUVHAZFL-UHFFFAOYSA-N 1 2 349.438 3.698 20 0 EHADLO COC(=O)c1ccc(Oc2ccc(Nc3ccc(N)[nH+]c3)cc2)cc1 ZINC001201286900 1136000929 /nfs/dbraw/zinc/00/09/29/1136000929.db2.gz GTSGHJBYXIVOBR-UHFFFAOYSA-N 1 2 335.363 3.986 20 0 EHADLO Nc1ccc(Nc2ccnn2Cc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001201279243 1136003812 /nfs/dbraw/zinc/00/38/12/1136003812.db2.gz NAPVJEMEGJKQCX-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2[nH+]cccc2N)C1 ZINC001201319860 1136007324 /nfs/dbraw/zinc/00/73/24/1136007324.db2.gz WBIOPIKPHAASCN-UHFFFAOYSA-N 1 2 340.427 3.701 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)c(Br)c1 ZINC000776169099 1136020520 /nfs/dbraw/zinc/02/05/20/1136020520.db2.gz KHVYFTVBZZGLPH-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3ccc(C)c(C)c3)[nH+]c12 ZINC000747656476 1136026041 /nfs/dbraw/zinc/02/60/41/1136026041.db2.gz BQILIAGICNIHKP-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO CCC[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132589145 1136041445 /nfs/dbraw/zinc/04/14/45/1136041445.db2.gz FXTRJMKXOGXZAV-CTNGQTDRSA-N 1 2 346.515 3.528 20 0 EHADLO CCC[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132589145 1136041451 /nfs/dbraw/zinc/04/14/51/1136041451.db2.gz FXTRJMKXOGXZAV-CTNGQTDRSA-N 1 2 346.515 3.528 20 0 EHADLO Clc1ccc(CO[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)c(Cl)c1 ZINC001203979026 1136070836 /nfs/dbraw/zinc/07/08/36/1136070836.db2.gz FFIBFMJQLITKIJ-CYBMUJFWSA-N 1 2 326.227 3.508 20 0 EHADLO Clc1ccc(CO[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c(Cl)c1 ZINC001203979026 1136070839 /nfs/dbraw/zinc/07/08/39/1136070839.db2.gz FFIBFMJQLITKIJ-CYBMUJFWSA-N 1 2 326.227 3.508 20 0 EHADLO Cc1cc(C)cc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811325377 1136074484 /nfs/dbraw/zinc/07/44/84/1136074484.db2.gz RNDGECMBKBGALF-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO Cc1cccc(O[C@H](C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815850 1136088664 /nfs/dbraw/zinc/08/86/64/1136088664.db2.gz VIYGVOIWVPPUBN-YLJYHZDGSA-N 1 2 349.434 3.517 20 0 EHADLO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000811466614 1136091071 /nfs/dbraw/zinc/09/10/71/1136091071.db2.gz ZJDWPGCTRKFABJ-OAQYLSRUSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1cn[nH]c1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000811466614 1136091073 /nfs/dbraw/zinc/09/10/73/1136091073.db2.gz ZJDWPGCTRKFABJ-OAQYLSRUSA-N 1 2 335.451 3.762 20 0 EHADLO CC(C)Cc1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528047 1136099165 /nfs/dbraw/zinc/09/91/65/1136099165.db2.gz AQFWNTPVMISMOD-LSDHHAIUSA-N 1 2 348.384 3.504 20 0 EHADLO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528047 1136099170 /nfs/dbraw/zinc/09/91/70/1136099170.db2.gz AQFWNTPVMISMOD-LSDHHAIUSA-N 1 2 348.384 3.504 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccc(Br)cc1 ZINC001202341131 1136126509 /nfs/dbraw/zinc/12/65/09/1136126509.db2.gz MPFNDTNBBLATCK-UHFFFAOYSA-N 1 2 337.221 3.548 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)ccc1F ZINC000265920115 1136151533 /nfs/dbraw/zinc/15/15/33/1136151533.db2.gz GUBJZEVYEYVMRY-WBMJQRKESA-N 1 2 348.397 3.728 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869050 1136154401 /nfs/dbraw/zinc/15/44/01/1136154401.db2.gz ZGOSPKAKZSWINR-AAEUAGOBSA-N 1 2 326.387 3.625 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869050 1136154404 /nfs/dbraw/zinc/15/44/04/1136154404.db2.gz ZGOSPKAKZSWINR-AAEUAGOBSA-N 1 2 326.387 3.625 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1F ZINC000930222776 1136189373 /nfs/dbraw/zinc/18/93/73/1136189373.db2.gz SGFPWHOCWDPPQS-ZDUSSCGKSA-N 1 2 333.304 3.958 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCc1c[nH+]cn1C ZINC000747782857 1136195227 /nfs/dbraw/zinc/19/52/27/1136195227.db2.gz LYJJQBGHJMEJFC-UHFFFAOYSA-N 1 2 347.827 3.862 20 0 EHADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000747782737 1136195856 /nfs/dbraw/zinc/19/58/56/1136195856.db2.gz PIKYEFHWUGZHGB-LLVKDONJSA-N 1 2 326.318 3.676 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000812786110 1136247273 /nfs/dbraw/zinc/24/72/73/1136247273.db2.gz CPRSEBDLOJWEGX-ZDUSSCGKSA-N 1 2 335.391 3.536 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000812786110 1136247277 /nfs/dbraw/zinc/24/72/77/1136247277.db2.gz CPRSEBDLOJWEGX-ZDUSSCGKSA-N 1 2 335.391 3.536 20 0 EHADLO COc1ccc(-c2ncc(C(=O)Nc3c(C)c[nH+]cc3C)s2)cc1 ZINC001133453741 1136252189 /nfs/dbraw/zinc/25/21/89/1136252189.db2.gz ZWWQECOHOHRZAQ-UHFFFAOYSA-N 1 2 339.420 3.505 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1cccnc1Cl ZINC000850574264 1136290021 /nfs/dbraw/zinc/29/00/21/1136290021.db2.gz XAMBEXWAIQSQMB-VIFPVBQESA-N 1 2 326.730 3.907 20 0 EHADLO Fc1ccc(COC2CC[NH+](Cc3cc(F)ncc3F)CC2)cc1 ZINC000813336888 1136320446 /nfs/dbraw/zinc/32/04/46/1136320446.db2.gz LKUBYUAHVJHQNU-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400625 1136376942 /nfs/dbraw/zinc/37/69/42/1136376942.db2.gz KCETWDUDRPOQEB-UHFFFAOYSA-N 1 2 326.387 3.523 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000007916454 1136385898 /nfs/dbraw/zinc/38/58/98/1136385898.db2.gz BWBGCBQSLIQMFQ-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000007916454 1136385902 /nfs/dbraw/zinc/38/59/02/1136385902.db2.gz BWBGCBQSLIQMFQ-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO CCc1nc(C)c(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000814067514 1136397731 /nfs/dbraw/zinc/39/77/31/1136397731.db2.gz INEMBLODXBBOBE-QGZVFWFLSA-N 1 2 342.439 3.643 20 0 EHADLO CCc1nc(C)c(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000814067514 1136397735 /nfs/dbraw/zinc/39/77/35/1136397735.db2.gz INEMBLODXBBOBE-QGZVFWFLSA-N 1 2 342.439 3.643 20 0 EHADLO Brc1c(C[NH+]2CCC(C3CC3)CC2)nc2ccccn12 ZINC000814172617 1136410151 /nfs/dbraw/zinc/41/01/51/1136410151.db2.gz WCUXMBNXJODNHR-UHFFFAOYSA-N 1 2 334.261 3.719 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)CSc2ccccc2)c1C ZINC000110261211 1136414942 /nfs/dbraw/zinc/41/49/42/1136414942.db2.gz SXIMQCQRDSGAGN-AWEZNQCLSA-N 1 2 344.480 3.752 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)CCCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000814168231 1136415062 /nfs/dbraw/zinc/41/50/62/1136415062.db2.gz CPIHCRYPLKZKJF-UHFFFAOYSA-N 1 2 333.435 3.846 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)CCCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000814168231 1136415063 /nfs/dbraw/zinc/41/50/63/1136415063.db2.gz CPIHCRYPLKZKJF-UHFFFAOYSA-N 1 2 333.435 3.846 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000814224228 1136425050 /nfs/dbraw/zinc/42/50/50/1136425050.db2.gz DGRFBQBKUBEFFT-MRXNPFEDSA-N 1 2 328.485 3.758 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000814224228 1136425052 /nfs/dbraw/zinc/42/50/52/1136425052.db2.gz DGRFBQBKUBEFFT-MRXNPFEDSA-N 1 2 328.485 3.758 20 0 EHADLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170736675 1136428797 /nfs/dbraw/zinc/42/87/97/1136428797.db2.gz BWAGKUGIEMHGDA-YRPNKDGESA-N 1 2 337.463 3.948 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(F)n1 ZINC000747939321 1136442671 /nfs/dbraw/zinc/44/26/71/1136442671.db2.gz YBOMSSOMYBWSSR-UHFFFAOYSA-N 1 2 344.821 3.717 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)Nc1ccc2ccccc2c1 ZINC001170744580 1136448847 /nfs/dbraw/zinc/44/88/47/1136448847.db2.gz GSGKGSUNJBNPQN-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccc2ccccc2c1 ZINC001170744580 1136448850 /nfs/dbraw/zinc/44/88/50/1136448850.db2.gz GSGKGSUNJBNPQN-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1cscn1 ZINC000852416891 1136454621 /nfs/dbraw/zinc/45/46/21/1136454621.db2.gz HHFODLMONOYWCM-VIFPVBQESA-N 1 2 343.424 3.747 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)c1ccccn1 ZINC000852549927 1136465376 /nfs/dbraw/zinc/46/53/76/1136465376.db2.gz RHAXVADNGCXQNO-ROUUACIJSA-N 1 2 346.858 3.621 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)c1ccccn1 ZINC000852549927 1136465379 /nfs/dbraw/zinc/46/53/79/1136465379.db2.gz RHAXVADNGCXQNO-ROUUACIJSA-N 1 2 346.858 3.621 20 0 EHADLO CCc1cccc(F)c1C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000338951557 1136479182 /nfs/dbraw/zinc/47/91/82/1136479182.db2.gz IZWPBDWHZQHNHN-UHFFFAOYSA-N 1 2 334.460 3.588 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000338951557 1136479184 /nfs/dbraw/zinc/47/91/84/1136479184.db2.gz IZWPBDWHZQHNHN-UHFFFAOYSA-N 1 2 334.460 3.588 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc2c(c1)CCCO2 ZINC000852781578 1136486265 /nfs/dbraw/zinc/48/62/65/1136486265.db2.gz FUXVQNQIDPZYLI-CQSZACIVSA-N 1 2 335.407 3.912 20 0 EHADLO Cc1nn(C/C=C\c2ccc(Cl)cc2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852963042 1136494207 /nfs/dbraw/zinc/49/42/07/1136494207.db2.gz NQOZGFVACGMXPU-XDXAGZTOSA-N 1 2 345.874 3.870 20 0 EHADLO Cc1nn(C/C=C\c2ccc(Cl)cc2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852963042 1136494212 /nfs/dbraw/zinc/49/42/12/1136494212.db2.gz NQOZGFVACGMXPU-XDXAGZTOSA-N 1 2 345.874 3.870 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)nc2ccccc12 ZINC000111092378 1136510639 /nfs/dbraw/zinc/51/06/39/1136510639.db2.gz RYNYUGLGPUIOQK-KRWDZBQOSA-N 1 2 346.858 3.924 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2C2OCCO2)nc2ccccc12 ZINC000111092378 1136510645 /nfs/dbraw/zinc/51/06/45/1136510645.db2.gz RYNYUGLGPUIOQK-KRWDZBQOSA-N 1 2 346.858 3.924 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000111165676 1136517509 /nfs/dbraw/zinc/51/75/09/1136517509.db2.gz NVAYGLLHZANOKP-CYBMUJFWSA-N 1 2 334.489 3.562 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000111165676 1136517513 /nfs/dbraw/zinc/51/75/13/1136517513.db2.gz NVAYGLLHZANOKP-CYBMUJFWSA-N 1 2 334.489 3.562 20 0 EHADLO FC(F)(F)c1cc(Cl)c(N2CC(n3cc[nH+]c3)C2)nc1Cl ZINC000853444956 1136532965 /nfs/dbraw/zinc/53/29/65/1136532965.db2.gz MQCBSJSDHYGORP-UHFFFAOYSA-N 1 2 337.132 3.665 20 0 EHADLO CCc1nn(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(=S)s1 ZINC000853511810 1136539492 /nfs/dbraw/zinc/53/94/92/1136539492.db2.gz UDZPWNORIYCFPN-KCJUWKMLSA-N 1 2 338.329 3.710 20 0 EHADLO CCc1nn(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(=S)s1 ZINC000853511810 1136539495 /nfs/dbraw/zinc/53/94/95/1136539495.db2.gz UDZPWNORIYCFPN-KCJUWKMLSA-N 1 2 338.329 3.710 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000853570885 1136545367 /nfs/dbraw/zinc/54/53/67/1136545367.db2.gz IOFFJMUMONQAAU-RDTXWAMCSA-N 1 2 348.874 3.534 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000853570885 1136545369 /nfs/dbraw/zinc/54/53/69/1136545369.db2.gz IOFFJMUMONQAAU-RDTXWAMCSA-N 1 2 348.874 3.534 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)C[C@H]2CC2(C)C)c(=S)n1C ZINC000853626685 1136550393 /nfs/dbraw/zinc/55/03/93/1136550393.db2.gz DNHPWOITSLOFTO-CYBMUJFWSA-N 1 2 346.500 3.562 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)C[C@H]2CC2(C)C)c(=S)n1C ZINC000853626685 1136550395 /nfs/dbraw/zinc/55/03/95/1136550395.db2.gz DNHPWOITSLOFTO-CYBMUJFWSA-N 1 2 346.500 3.562 20 0 EHADLO O=C1CCC2=C(CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)N1 ZINC000853746476 1136560278 /nfs/dbraw/zinc/56/02/78/1136560278.db2.gz NEVQPLYDWMQKML-UHFFFAOYSA-N 1 2 347.340 3.628 20 0 EHADLO CN(C)c1cc(CSCc2ncsc2Br)cc[nH+]1 ZINC000853771801 1136562093 /nfs/dbraw/zinc/56/20/93/1136562093.db2.gz AWZPGSOGWBVQES-UHFFFAOYSA-N 1 2 344.303 3.800 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000854041080 1136583015 /nfs/dbraw/zinc/58/30/15/1136583015.db2.gz JXWYSYIKETUDAW-WOJBJXKFSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000854041080 1136583019 /nfs/dbraw/zinc/58/30/19/1136583019.db2.gz JXWYSYIKETUDAW-WOJBJXKFSA-N 1 2 349.478 3.656 20 0 EHADLO C[C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000854106595 1136588188 /nfs/dbraw/zinc/58/81/88/1136588188.db2.gz JXWGGMNXCGCZEG-RKVPGOIHSA-N 1 2 341.455 3.620 20 0 EHADLO C[C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000854106595 1136588192 /nfs/dbraw/zinc/58/81/92/1136588192.db2.gz JXWGGMNXCGCZEG-RKVPGOIHSA-N 1 2 341.455 3.620 20 0 EHADLO CCCC[C@@](C)(F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344209 1136609407 /nfs/dbraw/zinc/60/94/07/1136609407.db2.gz SYXFSYHJMUDIEH-DNVCBOLYSA-N 1 2 335.467 3.844 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc(C2CC2)cc1Cl)[C@H]1CCSC1 ZINC000816216802 1136688026 /nfs/dbraw/zinc/68/80/26/1136688026.db2.gz ZJMUGOAQXXXJNQ-ZDUSSCGKSA-N 1 2 325.861 3.560 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc(C2CC2)cc1Cl)[C@H]1CCSC1 ZINC000816216802 1136688029 /nfs/dbraw/zinc/68/80/29/1136688029.db2.gz ZJMUGOAQXXXJNQ-ZDUSSCGKSA-N 1 2 325.861 3.560 20 0 EHADLO O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816219088 1136688289 /nfs/dbraw/zinc/68/82/89/1136688289.db2.gz QYCJRKKEZKTJMG-UHFFFAOYSA-N 1 2 338.207 3.522 20 0 EHADLO c1cc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)[nH+]cc1N1CCCCC1 ZINC000776849226 1136746630 /nfs/dbraw/zinc/74/66/30/1136746630.db2.gz XOLQLPVUKHOOAO-VYDXJSESSA-N 1 2 335.542 3.863 20 0 EHADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1NC(=O)OC(C)(C)C ZINC000856371805 1136781714 /nfs/dbraw/zinc/78/17/14/1136781714.db2.gz APEUBCWBDCCMJG-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1NC(=O)OC(C)(C)C ZINC000856371805 1136781718 /nfs/dbraw/zinc/78/17/18/1136781718.db2.gz APEUBCWBDCCMJG-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CC2(Cl)Cl)c(C)c1 ZINC000010986811 1136784422 /nfs/dbraw/zinc/78/44/22/1136784422.db2.gz BGNCYDPKQJUKCH-ZDUSSCGKSA-N 1 2 329.271 3.676 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CC2(Cl)Cl)c(C)c1 ZINC000010986811 1136784427 /nfs/dbraw/zinc/78/44/27/1136784427.db2.gz BGNCYDPKQJUKCH-ZDUSSCGKSA-N 1 2 329.271 3.676 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000817289381 1136791530 /nfs/dbraw/zinc/79/15/30/1136791530.db2.gz YASYXEFOESSFOY-GHMZBOCLSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000817289381 1136791531 /nfs/dbraw/zinc/79/15/31/1136791531.db2.gz YASYXEFOESSFOY-GHMZBOCLSA-N 1 2 330.881 3.596 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000856738223 1136805390 /nfs/dbraw/zinc/80/53/90/1136805390.db2.gz LJWWCTWNUPFGLU-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Cl)nc2C(F)(F)F)cc(C)[nH+]1 ZINC000817458662 1136808356 /nfs/dbraw/zinc/80/83/56/1136808356.db2.gz IQWSCNWAWKUPOD-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000817587756 1136826810 /nfs/dbraw/zinc/82/68/10/1136826810.db2.gz ZRLUJNFZBFYEOX-SJLPKXTDSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1cc(N2CCc3c(cnn3-c3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000339000752 1136827373 /nfs/dbraw/zinc/82/73/73/1136827373.db2.gz VOVJRLIATIIMJQ-UHFFFAOYSA-N 1 2 333.439 3.657 20 0 EHADLO Brc1ccc2c(c1)C[C@H]([N@@H+]1CCOCC13CCC3)CC2 ZINC001170884634 1136855408 /nfs/dbraw/zinc/85/54/08/1136855408.db2.gz ITCMDRPLLASOCH-MRXNPFEDSA-N 1 2 336.273 3.561 20 0 EHADLO Brc1ccc2c(c1)C[C@H]([N@H+]1CCOCC13CCC3)CC2 ZINC001170884634 1136855411 /nfs/dbraw/zinc/85/54/11/1136855411.db2.gz ITCMDRPLLASOCH-MRXNPFEDSA-N 1 2 336.273 3.561 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000818214687 1136866786 /nfs/dbraw/zinc/86/67/86/1136866786.db2.gz IYTZJMHPFOYDIX-JTQLQIEISA-N 1 2 340.345 3.641 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)n1 ZINC000818222954 1136867841 /nfs/dbraw/zinc/86/78/41/1136867841.db2.gz YWUGGIQXBFZODT-UHFFFAOYSA-N 1 2 346.381 3.651 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc(C)c(OC)cc2C)s1 ZINC000818355024 1136875357 /nfs/dbraw/zinc/87/53/57/1136875357.db2.gz AETRYJRNRXJWCS-OLZOCXBDSA-N 1 2 348.468 3.967 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138481 1136877096 /nfs/dbraw/zinc/87/70/96/1136877096.db2.gz PJEHWKUVBYLOCZ-RTBURBONSA-N 1 2 331.419 3.742 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138481 1136877100 /nfs/dbraw/zinc/87/71/00/1136877100.db2.gz PJEHWKUVBYLOCZ-RTBURBONSA-N 1 2 331.419 3.742 20 0 EHADLO Fc1ccc(C[N@H+](CC2CC2)Cn2ncn(C3CC3)c2=S)cc1 ZINC000115513752 1136903392 /nfs/dbraw/zinc/90/33/92/1136903392.db2.gz JMUUGSJNXYAOMM-UHFFFAOYSA-N 1 2 332.448 3.758 20 0 EHADLO Fc1ccc(C[N@@H+](CC2CC2)Cn2ncn(C3CC3)c2=S)cc1 ZINC000115513752 1136903393 /nfs/dbraw/zinc/90/33/93/1136903393.db2.gz JMUUGSJNXYAOMM-UHFFFAOYSA-N 1 2 332.448 3.758 20 0 EHADLO CC1CC[NH+]([C@H](CN[C@@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845765 1136911606 /nfs/dbraw/zinc/91/16/06/1136911606.db2.gz RQYGCTIXDMNOGF-IAGOWNOFSA-N 1 2 344.528 3.911 20 0 EHADLO Fc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(F)cc1Br ZINC000857871157 1136916151 /nfs/dbraw/zinc/91/61/51/1136916151.db2.gz MUMIZHJJHQXDEC-ZDUSSCGKSA-N 1 2 342.187 3.618 20 0 EHADLO Fc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(F)cc1Br ZINC000857871157 1136916154 /nfs/dbraw/zinc/91/61/54/1136916154.db2.gz MUMIZHJJHQXDEC-ZDUSSCGKSA-N 1 2 342.187 3.618 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1[C@@H](C)c1ccccc1 ZINC000857984158 1136927179 /nfs/dbraw/zinc/92/71/79/1136927179.db2.gz GTWLQLWHXAMBFC-HNAYVOBHSA-N 1 2 348.450 3.786 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000857985157 1136927548 /nfs/dbraw/zinc/92/75/48/1136927548.db2.gz GYJFKFREPVZFPO-SGMGOOAPSA-N 1 2 336.222 3.555 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCc1c[nH]c3c1cccc3C)CCN2 ZINC000857996848 1136928330 /nfs/dbraw/zinc/92/83/30/1136928330.db2.gz HIMZTMPBYKWUJW-UHFFFAOYSA-N 1 2 334.423 3.571 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000858011125 1136930311 /nfs/dbraw/zinc/93/03/11/1136930311.db2.gz KFWRRIZAHHEPFU-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000858011125 1136930313 /nfs/dbraw/zinc/93/03/13/1136930313.db2.gz KFWRRIZAHHEPFU-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858016228 1136931631 /nfs/dbraw/zinc/93/16/31/1136931631.db2.gz BVVBHTZEBNETJT-QGZVFWFLSA-N 1 2 327.428 3.553 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858016228 1136931632 /nfs/dbraw/zinc/93/16/32/1136931632.db2.gz BVVBHTZEBNETJT-QGZVFWFLSA-N 1 2 327.428 3.553 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858017703 1136932029 /nfs/dbraw/zinc/93/20/29/1136932029.db2.gz TXXFRFYBJUJING-CQSZACIVSA-N 1 2 346.377 3.596 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858017703 1136932031 /nfs/dbraw/zinc/93/20/31/1136932031.db2.gz TXXFRFYBJUJING-CQSZACIVSA-N 1 2 346.377 3.596 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024138 1136933249 /nfs/dbraw/zinc/93/32/49/1136933249.db2.gz UYLFAOHJYSAVLS-BLLLJJGKSA-N 1 2 344.484 3.723 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024138 1136933251 /nfs/dbraw/zinc/93/32/51/1136933251.db2.gz UYLFAOHJYSAVLS-BLLLJJGKSA-N 1 2 344.484 3.723 20 0 EHADLO CSCCCCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000858250077 1136952516 /nfs/dbraw/zinc/95/25/16/1136952516.db2.gz AFDVGWOZYNPQAB-UHFFFAOYSA-N 1 2 335.517 3.612 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)[C@@H](CC)CN1C(C)=O ZINC000339011179 1136954560 /nfs/dbraw/zinc/95/45/60/1136954560.db2.gz QEDHFTHKFSXNJP-LSDHHAIUSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)[C@@H](CC)CN1C(C)=O ZINC000339011179 1136954561 /nfs/dbraw/zinc/95/45/61/1136954561.db2.gz QEDHFTHKFSXNJP-LSDHHAIUSA-N 1 2 326.843 3.700 20 0 EHADLO Cc1cccc2c1CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000819875301 1136964624 /nfs/dbraw/zinc/96/46/24/1136964624.db2.gz AVOWMZZORGUOKI-HXUWFJFHSA-N 1 2 345.446 3.825 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000777029848 1136969010 /nfs/dbraw/zinc/96/90/10/1136969010.db2.gz GBGMGFIBTXYUQV-HNNXBMFYSA-N 1 2 346.390 3.843 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859280299 1137010617 /nfs/dbraw/zinc/01/06/17/1137010617.db2.gz JNOJXJNAESEOLU-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859280299 1137010619 /nfs/dbraw/zinc/01/06/19/1137010619.db2.gz JNOJXJNAESEOLU-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO O=C(/C=C\c1cccs1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820509443 1136996763 /nfs/dbraw/zinc/99/67/63/1136996763.db2.gz FYSZQBYTPLCBBL-SREVYHEPSA-N 1 2 343.839 3.917 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccn1Cc1ccccc1 ZINC000820679980 1137000827 /nfs/dbraw/zinc/00/08/27/1137000827.db2.gz CQQVJBIRISSYID-UHFFFAOYSA-N 1 2 348.450 3.588 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccn1Cc1ccccc1 ZINC000820679980 1137000828 /nfs/dbraw/zinc/00/08/28/1137000828.db2.gz CQQVJBIRISSYID-UHFFFAOYSA-N 1 2 348.450 3.588 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820808035 1137005099 /nfs/dbraw/zinc/00/50/99/1137005099.db2.gz WBQHIRWNNOQZIZ-MRXNPFEDSA-N 1 2 330.819 3.618 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000859181676 1137007028 /nfs/dbraw/zinc/00/70/28/1137007028.db2.gz SMCFFGISTIMAKO-DIECRNLCSA-N 1 2 333.482 3.543 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](C)CSc1ccccc1C ZINC000859349879 1137012418 /nfs/dbraw/zinc/01/24/18/1137012418.db2.gz JHBBLUCXUCZHHZ-CXAGYDPISA-N 1 2 327.465 3.604 20 0 EHADLO O=C(/C=C\c1csc(C(F)(F)F)c1)NCCCCn1cc[nH+]c1 ZINC000859361360 1137012751 /nfs/dbraw/zinc/01/27/51/1137012751.db2.gz HCQKPNCPGWSNQS-ARJAWSKDSA-N 1 2 343.374 3.573 20 0 EHADLO O=C(NCc1nc2cc(Cl)ccc2s1)c1cc2c[nH+]ccc2[nH]1 ZINC001136413662 1137016688 /nfs/dbraw/zinc/01/66/88/1137016688.db2.gz BVFKNFGHHMSRBU-UHFFFAOYSA-N 1 2 342.811 3.756 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1nc2ccccc2o1 ZINC000821306383 1137021914 /nfs/dbraw/zinc/02/19/14/1137021914.db2.gz YGDDBNPZRHMBDF-FUEDEBDSSA-N 1 2 344.436 3.813 20 0 EHADLO Cc1ccsc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136442402 1137025463 /nfs/dbraw/zinc/02/54/63/1137025463.db2.gz QKFWJNJRTXISSV-MRXNPFEDSA-N 1 2 348.899 3.991 20 0 EHADLO Cc1ccsc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136442402 1137025465 /nfs/dbraw/zinc/02/54/65/1137025465.db2.gz QKFWJNJRTXISSV-MRXNPFEDSA-N 1 2 348.899 3.991 20 0 EHADLO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccns1 ZINC000860052583 1137042051 /nfs/dbraw/zinc/04/20/51/1137042051.db2.gz CVGGFJDVAOJCFR-YOEHRIQHSA-N 1 2 329.469 3.548 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000822071963 1137048797 /nfs/dbraw/zinc/04/87/97/1137048797.db2.gz ACIPVYPOXUHAFV-GFCCVEGCSA-N 1 2 347.724 3.677 20 0 EHADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000860717405 1137074778 /nfs/dbraw/zinc/07/47/78/1137074778.db2.gz BNARXUFGAINEMK-SNVBAGLBSA-N 1 2 339.716 3.559 20 0 EHADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000860717405 1137074779 /nfs/dbraw/zinc/07/47/79/1137074779.db2.gz BNARXUFGAINEMK-SNVBAGLBSA-N 1 2 339.716 3.559 20 0 EHADLO O=C1[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CCCN1Cc1ccccc1 ZINC000805805413 1137079172 /nfs/dbraw/zinc/07/91/72/1137079172.db2.gz QXVNUEYBWQSYDU-LJQANCHMSA-N 1 2 340.854 3.847 20 0 EHADLO O=C1[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCCN1Cc1ccccc1 ZINC000805805413 1137079174 /nfs/dbraw/zinc/07/91/74/1137079174.db2.gz QXVNUEYBWQSYDU-LJQANCHMSA-N 1 2 340.854 3.847 20 0 EHADLO COc1cccc(C[C@H](C)CC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000823057694 1137084432 /nfs/dbraw/zinc/08/44/32/1137084432.db2.gz UNAFFHKYXPNAJR-AWEZNQCLSA-N 1 2 326.440 3.592 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000117864335 1137085153 /nfs/dbraw/zinc/08/51/53/1137085153.db2.gz ZOXFLTQREPAUQX-QGZVFWFLSA-N 1 2 343.500 3.610 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000117864335 1137085155 /nfs/dbraw/zinc/08/51/55/1137085155.db2.gz ZOXFLTQREPAUQX-QGZVFWFLSA-N 1 2 343.500 3.610 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C=C\COc2ccccc2)n1 ZINC000823224092 1137091435 /nfs/dbraw/zinc/09/14/35/1137091435.db2.gz HWJDCNAGHUPRTA-FLIBITNWSA-N 1 2 345.468 3.559 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000823843026 1137115961 /nfs/dbraw/zinc/11/59/61/1137115961.db2.gz VENSHXIHUGLWFQ-ZDUSSCGKSA-N 1 2 325.243 3.690 20 0 EHADLO Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)cc[nH+]1 ZINC001136786450 1137116542 /nfs/dbraw/zinc/11/65/42/1137116542.db2.gz BASIVEUXBGVEBU-UHFFFAOYSA-N 1 2 339.782 3.905 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)s1 ZINC001136854663 1137132140 /nfs/dbraw/zinc/13/21/40/1137132140.db2.gz GPTDJKIKSGINSS-UHFFFAOYSA-N 1 2 348.434 3.543 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(Br)n1 ZINC000862215844 1137132849 /nfs/dbraw/zinc/13/28/49/1137132849.db2.gz UQNFDFFKXJJDRR-AWEZNQCLSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(Br)n1 ZINC000862215844 1137132851 /nfs/dbraw/zinc/13/28/51/1137132851.db2.gz UQNFDFFKXJJDRR-AWEZNQCLSA-N 1 2 338.224 3.659 20 0 EHADLO COc1ccc(OC)c(CN(Cc2[nH]c(C)c(C)[nH+]2)C(C)(C)C)c1 ZINC000862221542 1137133057 /nfs/dbraw/zinc/13/30/57/1137133057.db2.gz YNEAJJPVJYOUEU-UHFFFAOYSA-N 1 2 331.460 3.844 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3CCCCC3)CC2)cs1 ZINC000805861707 1137134073 /nfs/dbraw/zinc/13/40/73/1137134073.db2.gz NQKACFOZZADQPI-UHFFFAOYSA-N 1 2 336.501 3.787 20 0 EHADLO Cc1c(F)nccc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000862237494 1137134211 /nfs/dbraw/zinc/13/42/11/1137134211.db2.gz QRRCVPSNJRMFCV-GOSISDBHSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1c(F)nccc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000862237494 1137134212 /nfs/dbraw/zinc/13/42/12/1137134212.db2.gz QRRCVPSNJRMFCV-GOSISDBHSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1c(Br)cncc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000824548683 1137142679 /nfs/dbraw/zinc/14/26/79/1137142679.db2.gz QITGAZAQMSVTQH-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000824548683 1137142681 /nfs/dbraw/zinc/14/26/81/1137142681.db2.gz QITGAZAQMSVTQH-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO CC(C)C[C@@H](C[N@@H+]1Cc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC000862450493 1137145307 /nfs/dbraw/zinc/14/53/07/1137145307.db2.gz VAOJHVVGQXDLGU-INIZCTEOSA-N 1 2 334.460 3.647 20 0 EHADLO CC(C)C[C@@H](C[N@H+]1Cc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC000862450493 1137145308 /nfs/dbraw/zinc/14/53/08/1137145308.db2.gz VAOJHVVGQXDLGU-INIZCTEOSA-N 1 2 334.460 3.647 20 0 EHADLO O=C(c1ccccc1F)C1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC001136932364 1137149342 /nfs/dbraw/zinc/14/93/42/1137149342.db2.gz GASVROHUNYXUBP-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136925681 1137149626 /nfs/dbraw/zinc/14/96/26/1137149626.db2.gz LWGRKNNYKGQDKQ-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136925681 1137149628 /nfs/dbraw/zinc/14/96/28/1137149628.db2.gz LWGRKNNYKGQDKQ-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(Cl)cn4)C[C@H]3O2)n1 ZINC001136927071 1137149825 /nfs/dbraw/zinc/14/98/25/1137149825.db2.gz SMKNSXMHRWNHMA-APHBMKBZSA-N 1 2 349.887 3.852 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(Cl)cn4)C[C@H]3O2)n1 ZINC001136927071 1137149827 /nfs/dbraw/zinc/14/98/27/1137149827.db2.gz SMKNSXMHRWNHMA-APHBMKBZSA-N 1 2 349.887 3.852 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000825215382 1137169214 /nfs/dbraw/zinc/16/92/14/1137169214.db2.gz OFXWQVZQRQOGPE-OAHLLOKOSA-N 1 2 326.387 3.626 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000825215382 1137169215 /nfs/dbraw/zinc/16/92/15/1137169215.db2.gz OFXWQVZQRQOGPE-OAHLLOKOSA-N 1 2 326.387 3.626 20 0 EHADLO FC(F)(F)c1cnc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)[nH]1 ZINC001137015770 1137171725 /nfs/dbraw/zinc/17/17/25/1137171725.db2.gz VWCJADPJWSMFDN-UHFFFAOYSA-N 1 2 343.393 3.600 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(Br)n2)C1 ZINC000794495804 1137172151 /nfs/dbraw/zinc/17/21/51/1137172151.db2.gz JZWSHIDZGMIEFJ-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(Br)n2)C1 ZINC000794495804 1137172152 /nfs/dbraw/zinc/17/21/52/1137172152.db2.gz JZWSHIDZGMIEFJ-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137020547 1137173205 /nfs/dbraw/zinc/17/32/05/1137173205.db2.gz VJRKTGBLUAJXOE-CYBMUJFWSA-N 1 2 327.325 3.775 20 0 EHADLO Fc1ccc(C[C@H]2CCC[N@H+]2Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137020547 1137173206 /nfs/dbraw/zinc/17/32/06/1137173206.db2.gz VJRKTGBLUAJXOE-CYBMUJFWSA-N 1 2 327.325 3.775 20 0 EHADLO CC(C)C[C@@H](C(=O)N1C[C@H](C)CN(C)c2ccccc21)n1cc[nH+]c1 ZINC001137022490 1137173621 /nfs/dbraw/zinc/17/36/21/1137173621.db2.gz GZEUKLMNOFXQOB-APWZRJJASA-N 1 2 340.471 3.589 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000863266611 1137178833 /nfs/dbraw/zinc/17/88/33/1137178833.db2.gz NYRGHMLAKBEACY-HNNXBMFYSA-N 1 2 342.361 3.802 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccc(Br)c2F)cn1 ZINC001137036576 1137178970 /nfs/dbraw/zinc/17/89/70/1137178970.db2.gz XZMYBZMEVHJBJA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2F)cn1 ZINC001137036576 1137178971 /nfs/dbraw/zinc/17/89/71/1137178971.db2.gz XZMYBZMEVHJBJA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000863318532 1137181080 /nfs/dbraw/zinc/18/10/80/1137181080.db2.gz ORTRYUKNDDSFBU-UHFFFAOYSA-N 1 2 339.386 3.956 20 0 EHADLO Cc1cnc(=S)n(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000863318532 1137181081 /nfs/dbraw/zinc/18/10/81/1137181081.db2.gz ORTRYUKNDDSFBU-UHFFFAOYSA-N 1 2 339.386 3.956 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1cccnc1 ZINC000863331400 1137181322 /nfs/dbraw/zinc/18/13/22/1137181322.db2.gz LJNGLBXGPCILPL-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1cccnc1 ZINC000863331400 1137181323 /nfs/dbraw/zinc/18/13/23/1137181323.db2.gz LJNGLBXGPCILPL-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO COc1cc2c(cn1)CC[N@H+](Cc1cc(C)ccc1C(F)(F)F)C2 ZINC001143683290 1137189431 /nfs/dbraw/zinc/18/94/31/1137189431.db2.gz AVIMFHORAKBCLZ-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO COc1cc2c(cn1)CC[N@@H+](Cc1cc(C)ccc1C(F)(F)F)C2 ZINC001143683290 1137189432 /nfs/dbraw/zinc/18/94/32/1137189432.db2.gz AVIMFHORAKBCLZ-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000863617892 1137195045 /nfs/dbraw/zinc/19/50/45/1137195045.db2.gz ILEPCELWZRKQGK-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C(C)(C)C3CCCCC3)no2)c1 ZINC000863673184 1137198689 /nfs/dbraw/zinc/19/86/89/1137198689.db2.gz MIPWOPRGZFOMNW-INIZCTEOSA-N 1 2 329.444 3.984 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143804530 1137201075 /nfs/dbraw/zinc/20/10/75/1137201075.db2.gz UWRMAOWKEPSRBB-LLVKDONJSA-N 1 2 347.686 3.858 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143804530 1137201077 /nfs/dbraw/zinc/20/10/77/1137201077.db2.gz UWRMAOWKEPSRBB-LLVKDONJSA-N 1 2 347.686 3.858 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1Cl ZINC001143810238 1137202554 /nfs/dbraw/zinc/20/25/54/1137202554.db2.gz NUVIMDGMGDWVNK-UHFFFAOYSA-N 1 2 335.753 3.698 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1Cl ZINC001143810238 1137202555 /nfs/dbraw/zinc/20/25/55/1137202555.db2.gz NUVIMDGMGDWVNK-UHFFFAOYSA-N 1 2 335.753 3.698 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1nc2ccccc2n1C(F)F ZINC000844301575 1137210244 /nfs/dbraw/zinc/21/02/44/1137210244.db2.gz YFCXAEUHRMAQDP-NWDGAFQWSA-N 1 2 348.353 3.883 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582775 1137214136 /nfs/dbraw/zinc/21/41/36/1137214136.db2.gz FXPMMNGOVNPBHC-BIENJYKASA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582775 1137214137 /nfs/dbraw/zinc/21/41/37/1137214137.db2.gz FXPMMNGOVNPBHC-BIENJYKASA-N 1 2 346.858 3.657 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000844383961 1137215884 /nfs/dbraw/zinc/21/58/84/1137215884.db2.gz BHKVFPQXOUTHNY-GJZGRUSLSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000844383961 1137215885 /nfs/dbraw/zinc/21/58/85/1137215885.db2.gz BHKVFPQXOUTHNY-GJZGRUSLSA-N 1 2 329.362 3.821 20 0 EHADLO Cc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1-n1cc[nH+]c1 ZINC001143939145 1137216365 /nfs/dbraw/zinc/21/63/65/1137216365.db2.gz AAABGWYZAXVKKI-UHFFFAOYSA-N 1 2 338.386 3.638 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143945333 1137217320 /nfs/dbraw/zinc/21/73/20/1137217320.db2.gz CYCSCKLOZHMWDR-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143945333 1137217321 /nfs/dbraw/zinc/21/73/21/1137217321.db2.gz CYCSCKLOZHMWDR-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO CCOc1ccc(F)c(C[NH+]2CCC(OC3CCC3)CC2)c1F ZINC001143930307 1137217739 /nfs/dbraw/zinc/21/77/39/1137217739.db2.gz FWRBGEPORHLJAQ-UHFFFAOYSA-N 1 2 325.399 3.897 20 0 EHADLO Cc1ccnn1C1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143961937 1137219341 /nfs/dbraw/zinc/21/93/41/1137219341.db2.gz ZYDJZQIGFHMDIT-UHFFFAOYSA-N 1 2 325.790 3.960 20 0 EHADLO Cc1cccc(C)c1NC(=S)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000145091466 1137221282 /nfs/dbraw/zinc/22/12/82/1137221282.db2.gz JJEWZXUNTYCXMR-HNNXBMFYSA-N 1 2 330.501 3.901 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)ccc(OC)c1F ZINC001143976185 1137222301 /nfs/dbraw/zinc/22/23/01/1137222301.db2.gz BPLGHXFPDGFJEF-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(OC)c1F ZINC001143976185 1137222302 /nfs/dbraw/zinc/22/23/02/1137222302.db2.gz BPLGHXFPDGFJEF-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO CCC1(c2ccc(Cl)cc2)CC[NH+](Cn2ccsc2=O)CC1 ZINC000794648101 1137223003 /nfs/dbraw/zinc/22/30/03/1137223003.db2.gz XEJMWKXYQYTYHD-UHFFFAOYSA-N 1 2 336.888 3.965 20 0 EHADLO CCOc1c(F)cc(C[N@H+](C)Cc2cnc3ccccn23)cc1F ZINC001144022486 1137229506 /nfs/dbraw/zinc/22/95/06/1137229506.db2.gz MOGKSKMFKALEHE-UHFFFAOYSA-N 1 2 331.366 3.643 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](C)Cc2cnc3ccccn23)cc1F ZINC001144022486 1137229507 /nfs/dbraw/zinc/22/95/07/1137229507.db2.gz MOGKSKMFKALEHE-UHFFFAOYSA-N 1 2 331.366 3.643 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C[C@H]1O ZINC001144036718 1137232757 /nfs/dbraw/zinc/23/27/57/1137232757.db2.gz RDNGLOIBFJNCAC-WRWORJQWSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C[C@H]1O ZINC001144036718 1137232758 /nfs/dbraw/zinc/23/27/58/1137232758.db2.gz RDNGLOIBFJNCAC-WRWORJQWSA-N 1 2 328.161 3.825 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(OC(F)(F)F)c1 ZINC001144057087 1137235651 /nfs/dbraw/zinc/23/56/51/1137235651.db2.gz UOGZRHAUXKAUPC-JTQLQIEISA-N 1 2 343.267 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(OC(F)(F)F)c1 ZINC001144057087 1137235653 /nfs/dbraw/zinc/23/56/53/1137235653.db2.gz UOGZRHAUXKAUPC-JTQLQIEISA-N 1 2 343.267 3.978 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)o1 ZINC001144135226 1137242648 /nfs/dbraw/zinc/24/26/48/1137242648.db2.gz UAKKBTCHNPHIOP-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)o1 ZINC001144135226 1137242649 /nfs/dbraw/zinc/24/26/49/1137242649.db2.gz UAKKBTCHNPHIOP-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864912968 1137252100 /nfs/dbraw/zinc/25/21/00/1137252100.db2.gz RIOMUPAGOCXZCG-DJYIOQBOSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864912968 1137252101 /nfs/dbraw/zinc/25/21/01/1137252101.db2.gz RIOMUPAGOCXZCG-DJYIOQBOSA-N 1 2 342.483 3.526 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001144219483 1137253347 /nfs/dbraw/zinc/25/33/47/1137253347.db2.gz XNVCMQVJQXQVMK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001144219483 1137253348 /nfs/dbraw/zinc/25/33/48/1137253348.db2.gz XNVCMQVJQXQVMK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065515 1137261026 /nfs/dbraw/zinc/26/10/26/1137261026.db2.gz OMNXXFKUFUNKOQ-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065618 1137261377 /nfs/dbraw/zinc/26/13/77/1137261377.db2.gz QYWFVUFMGUZMJC-QINSGFPZSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140915 1137265034 /nfs/dbraw/zinc/26/50/34/1137265034.db2.gz LOLKBTFZTOKZSH-LLVKDONJSA-N 1 2 346.843 3.693 20 0 EHADLO CCN(CC)c1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cn1 ZINC000865420323 1137282066 /nfs/dbraw/zinc/28/20/66/1137282066.db2.gz PWZJKQFWGCABJS-UHFFFAOYSA-N 1 2 339.270 3.919 20 0 EHADLO C[C@@H](CC(=O)OCCc1cccc(OC(F)(F)F)c1)n1cc[nH+]c1 ZINC000845281169 1137283228 /nfs/dbraw/zinc/28/32/28/1137283228.db2.gz GUYLQKAJBRLGFN-LBPRGKRZSA-N 1 2 342.317 3.519 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845280112 1137283416 /nfs/dbraw/zinc/28/34/16/1137283416.db2.gz ROUYANRTFNGQEF-LSDHHAIUSA-N 1 2 343.427 3.530 20 0 EHADLO Cc1ccnc(CNc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC000865506367 1137289819 /nfs/dbraw/zinc/28/98/19/1137289819.db2.gz RXWZLERUROHORK-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO CC[N@H+](CCNCc1nc(C(C)(C)C)cs1)CCC(F)(F)F ZINC000865542777 1137293458 /nfs/dbraw/zinc/29/34/58/1137293458.db2.gz XAQDBPINYKDKKX-UHFFFAOYSA-N 1 2 337.455 3.805 20 0 EHADLO CC[N@@H+](CCNCc1nc(C(C)(C)C)cs1)CCC(F)(F)F ZINC000865542777 1137293460 /nfs/dbraw/zinc/29/34/60/1137293460.db2.gz XAQDBPINYKDKKX-UHFFFAOYSA-N 1 2 337.455 3.805 20 0 EHADLO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001144488022 1137299696 /nfs/dbraw/zinc/29/96/96/1137299696.db2.gz AAMYNMRVCNUXNW-UHFFFAOYSA-N 1 2 335.753 3.692 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2)Cc2ccccc21 ZINC001144489811 1137300127 /nfs/dbraw/zinc/30/01/27/1137300127.db2.gz PDHKHSTZIYISIK-GOSISDBHSA-N 1 2 345.826 3.621 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2)Cc2ccccc21 ZINC001144489811 1137300129 /nfs/dbraw/zinc/30/01/29/1137300129.db2.gz PDHKHSTZIYISIK-GOSISDBHSA-N 1 2 345.826 3.621 20 0 EHADLO Cc1cc(N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000845627980 1137301666 /nfs/dbraw/zinc/30/16/66/1137301666.db2.gz VSAODKDRKVGZQI-IBGZPJMESA-N 1 2 343.858 3.804 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144588597 1137313604 /nfs/dbraw/zinc/31/36/04/1137313604.db2.gz UODABERDFPNQCX-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3noc4ccc(F)cc34)c1)O[C@H](C)C2 ZINC000865761702 1137309550 /nfs/dbraw/zinc/30/95/50/1137309550.db2.gz ZQAHFVVOARJVEO-LLVKDONJSA-N 1 2 342.370 3.589 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2cc3cc(C)c(C)cc3o2)on1 ZINC000865764493 1137309879 /nfs/dbraw/zinc/30/98/79/1137309879.db2.gz CBOMJCSNQVJVEG-UHFFFAOYSA-N 1 2 328.368 3.504 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c(F)c1 ZINC001144560196 1137309880 /nfs/dbraw/zinc/30/98/80/1137309880.db2.gz UZHFIFDXLZKZCJ-MRXNPFEDSA-N 1 2 333.378 3.852 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)c(F)c1 ZINC001144560196 1137309882 /nfs/dbraw/zinc/30/98/82/1137309882.db2.gz UZHFIFDXLZKZCJ-MRXNPFEDSA-N 1 2 333.378 3.852 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000865805275 1137313103 /nfs/dbraw/zinc/31/31/03/1137313103.db2.gz XHYZBMAPEDUHAH-FPLPWBNLSA-N 1 2 337.345 3.512 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144588597 1137313603 /nfs/dbraw/zinc/31/36/03/1137313603.db2.gz UODABERDFPNQCX-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO C[N@H+](Cc1sccc1C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC001144671564 1137326462 /nfs/dbraw/zinc/32/64/62/1137326462.db2.gz YBYKLLLMMZOPMG-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[N@@H+](Cc1sccc1C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC001144671564 1137326464 /nfs/dbraw/zinc/32/64/64/1137326464.db2.gz YBYKLLLMMZOPMG-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCSCCC(F)(F)F ZINC000866184559 1137334097 /nfs/dbraw/zinc/33/40/97/1137334097.db2.gz OBFYTLGWIOEUHL-UHFFFAOYSA-N 1 2 347.410 3.679 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)CCC(=O)N2 ZINC000866236627 1137337697 /nfs/dbraw/zinc/33/76/97/1137337697.db2.gz DKLYNTGAAHCNBZ-APXLUKDGSA-N 1 2 340.398 3.694 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc3scnc3c2)CCN1C(=O)OC(C)(C)C ZINC001144732509 1137339409 /nfs/dbraw/zinc/33/94/09/1137339409.db2.gz DNDPTEVXXDLTIE-ZDUSSCGKSA-N 1 2 347.484 3.738 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc3scnc3c2)CCN1C(=O)OC(C)(C)C ZINC001144732509 1137339411 /nfs/dbraw/zinc/33/94/11/1137339411.db2.gz DNDPTEVXXDLTIE-ZDUSSCGKSA-N 1 2 347.484 3.738 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1cccc(-n2ccnc2)c1 ZINC000866274967 1137341745 /nfs/dbraw/zinc/34/17/45/1137341745.db2.gz BRXXHZPZAOTVJL-DCPHZVHLSA-N 1 2 337.398 3.995 20 0 EHADLO ClC1(Cl)C[C@H]1CCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000846212443 1137343529 /nfs/dbraw/zinc/34/35/29/1137343529.db2.gz DTIRGEYEDYHKON-KOLCDFICSA-N 1 2 331.272 3.519 20 0 EHADLO COCCCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866309327 1137344198 /nfs/dbraw/zinc/34/41/98/1137344198.db2.gz NRRKGSZBTULRDQ-AZUAARDMSA-N 1 2 345.414 3.663 20 0 EHADLO COc1cccc2[nH+]c(NCCC3CCC4(CC3)OCCO4)ccc21 ZINC001171220759 1137346276 /nfs/dbraw/zinc/34/62/76/1137346276.db2.gz QBALJOSAASXXQV-UHFFFAOYSA-N 1 2 342.439 3.979 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866420370 1137353255 /nfs/dbraw/zinc/35/32/55/1137353255.db2.gz OXLRYTFJQPXYKU-UHFFFAOYSA-N 1 2 345.346 3.634 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866420370 1137353257 /nfs/dbraw/zinc/35/32/57/1137353257.db2.gz OXLRYTFJQPXYKU-UHFFFAOYSA-N 1 2 345.346 3.634 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000846483285 1137353605 /nfs/dbraw/zinc/35/36/05/1137353605.db2.gz XRUPBZNSNVOOBI-MRXNPFEDSA-N 1 2 340.471 3.711 20 0 EHADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCc3ccccc3)c2)n1 ZINC000772940706 1137355523 /nfs/dbraw/zinc/35/55/23/1137355523.db2.gz VIZXKMGOUPOWST-UHFFFAOYSA-N 1 2 348.450 3.638 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000866449988 1137355977 /nfs/dbraw/zinc/35/59/77/1137355977.db2.gz BMOULWXBYOFLBC-OFLPRAFFSA-N 1 2 328.460 3.610 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](CC)c2cccc(Cl)c2F)on1 ZINC000866515062 1137360440 /nfs/dbraw/zinc/36/04/40/1137360440.db2.gz ZOIDPKMHFCPDJN-CYBMUJFWSA-N 1 2 340.782 3.885 20 0 EHADLO CC(=O)CCCCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846656869 1137360729 /nfs/dbraw/zinc/36/07/29/1137360729.db2.gz ZHODUHROPSSMGD-IYARVYRRSA-N 1 2 345.487 3.851 20 0 EHADLO C[C@]1(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@]1(F)Cl ZINC000846657593 1137360757 /nfs/dbraw/zinc/36/07/57/1137360757.db2.gz DSFPCEDSLMDOTQ-JLSDUUJJSA-N 1 2 349.837 3.753 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc4nonc4c3)n2)cc1 ZINC000846858869 1137372796 /nfs/dbraw/zinc/37/27/96/1137372796.db2.gz INEIBOFBNHGRTP-GFCCVEGCSA-N 1 2 349.394 3.686 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]([NH2+]Cc2cnsn2)C2CC2)c1 ZINC000846898285 1137374504 /nfs/dbraw/zinc/37/45/04/1137374504.db2.gz DABVYQBHGOAUMD-ZDUSSCGKSA-N 1 2 329.347 3.678 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846901532 1137374714 /nfs/dbraw/zinc/37/47/14/1137374714.db2.gz OCAFJZGSXYTVEE-SFHVURJKSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846901532 1137374716 /nfs/dbraw/zinc/37/47/16/1137374716.db2.gz OCAFJZGSXYTVEE-SFHVURJKSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3ccc4nonc4c3)[nH]c2c1 ZINC000846901532 1137374718 /nfs/dbraw/zinc/37/47/18/1137374718.db2.gz OCAFJZGSXYTVEE-SFHVURJKSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3ccc4nonc4c3)[nH]c2c1 ZINC000846901532 1137374720 /nfs/dbraw/zinc/37/47/20/1137374720.db2.gz OCAFJZGSXYTVEE-SFHVURJKSA-N 1 2 333.395 3.745 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ncc(-c2cccc(F)c2)o1)OCC ZINC000846972524 1137377877 /nfs/dbraw/zinc/37/78/77/1137377877.db2.gz UUMJXCYPTUBWGU-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ncc(-c2cccc(F)c2)o1)OCC ZINC000846972524 1137377879 /nfs/dbraw/zinc/37/78/79/1137377879.db2.gz UUMJXCYPTUBWGU-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CC(=O)C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000846945385 1137378004 /nfs/dbraw/zinc/37/80/04/1137378004.db2.gz BEQKGDAJNFANNE-UHFFFAOYSA-N 1 2 336.407 3.889 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000867976240 1137392239 /nfs/dbraw/zinc/39/22/39/1137392239.db2.gz HARGNBRCJBGOGC-LBPRGKRZSA-N 1 2 349.887 3.503 20 0 EHADLO CC[C@@H](C(=O)N[C@H](CCC(C)C)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC001146767107 1137394092 /nfs/dbraw/zinc/39/40/92/1137394092.db2.gz WFNPFMMFINFCBJ-FGTMMUONSA-N 1 2 340.552 3.843 20 0 EHADLO CC[C@@H](C(=O)N[C@H](CCC(C)C)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC001146767107 1137394094 /nfs/dbraw/zinc/39/40/94/1137394094.db2.gz WFNPFMMFINFCBJ-FGTMMUONSA-N 1 2 340.552 3.843 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(c2ccccc2F)CC1 ZINC001147219292 1137402761 /nfs/dbraw/zinc/40/27/61/1137402761.db2.gz WRVCJRNIMVWBNZ-MRXNPFEDSA-N 1 2 349.409 3.876 20 0 EHADLO CC(C)[C@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000868520140 1137413010 /nfs/dbraw/zinc/41/30/10/1137413010.db2.gz NURZZFJYXCXHLG-FUHWJXTLSA-N 1 2 344.503 3.588 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n(-c2ccccc2)n1 ZINC001147849043 1137413483 /nfs/dbraw/zinc/41/34/83/1137413483.db2.gz YORKYJJVFJKXKJ-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3cccc(F)c3)n2)c(C)c[nH+]1 ZINC000543735278 1137428051 /nfs/dbraw/zinc/42/80/51/1137428051.db2.gz DMXZZSDBWARWRF-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(-c2ccc(O)cc2)cc1 ZINC001148872301 1137437031 /nfs/dbraw/zinc/43/70/31/1137437031.db2.gz HHWVYDVEZDSZAE-UHFFFAOYSA-N 1 2 329.359 3.959 20 0 EHADLO O=C(Nc1cccc(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282747158 1137444996 /nfs/dbraw/zinc/44/49/96/1137444996.db2.gz FYNPXKPZYCEHCO-AWEZNQCLSA-N 1 2 342.418 3.770 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1C(F)(F)F ZINC000282765105 1137446882 /nfs/dbraw/zinc/44/68/82/1137446882.db2.gz OLNNGZOVTBPTPN-NSHDSACASA-N 1 2 326.366 3.903 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000348141469 1137448348 /nfs/dbraw/zinc/44/83/48/1137448348.db2.gz HDRFYZXMCFXXMZ-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c(F)c1 ZINC000773002420 1137458316 /nfs/dbraw/zinc/45/83/16/1137458316.db2.gz RPPMOHNRSNUIJM-LLVKDONJSA-N 1 2 331.366 3.711 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870120750 1137477893 /nfs/dbraw/zinc/47/78/93/1137477893.db2.gz GHTPRHNVRCTAKM-MRXNPFEDSA-N 1 2 341.455 3.625 20 0 EHADLO Cc1nc(Cl)sc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870124575 1137477912 /nfs/dbraw/zinc/47/79/12/1137477912.db2.gz PFQCQXOVGSNVLO-CYBMUJFWSA-N 1 2 349.887 3.624 20 0 EHADLO O=c1sccn1C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000773256231 1137481850 /nfs/dbraw/zinc/48/18/50/1137481850.db2.gz RRSSWFCFMYRFRR-UHFFFAOYSA-N 1 2 342.386 3.766 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171436990 1137483402 /nfs/dbraw/zinc/48/34/02/1137483402.db2.gz JDOKWXOUIOLIFB-INIZCTEOSA-N 1 2 347.455 3.810 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171436990 1137483403 /nfs/dbraw/zinc/48/34/03/1137483403.db2.gz JDOKWXOUIOLIFB-INIZCTEOSA-N 1 2 347.455 3.810 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(c2ccsc2)CC1 ZINC000773327166 1137489625 /nfs/dbraw/zinc/48/96/25/1137489625.db2.gz SPNRFOKMIUQING-UHFFFAOYSA-N 1 2 332.400 3.632 20 0 EHADLO CCCCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001171542315 1137494189 /nfs/dbraw/zinc/49/41/89/1137494189.db2.gz YTJWIMHIXOAWDO-KRWDZBQOSA-N 1 2 332.488 3.643 20 0 EHADLO Fc1cccc([C@H]2C[C@@H]2[NH+]2CCN(c3c(F)cccc3F)CC2)c1 ZINC001171521811 1137496157 /nfs/dbraw/zinc/49/61/57/1137496157.db2.gz HMOPVEAPLSSEKD-QAPCUYQASA-N 1 2 332.369 3.782 20 0 EHADLO CC(C)c1nnc(CC2CC[NH+](Cc3cc(O)ccc3Cl)CC2)[nH]1 ZINC001171667138 1137502931 /nfs/dbraw/zinc/50/29/31/1137502931.db2.gz SOGKQZDHGVJUGU-UHFFFAOYSA-N 1 2 348.878 3.742 20 0 EHADLO CC(C)c1nc(CC2CC[NH+](Cc3cc(O)ccc3Cl)CC2)n[nH]1 ZINC001171667138 1137502933 /nfs/dbraw/zinc/50/29/33/1137502933.db2.gz SOGKQZDHGVJUGU-UHFFFAOYSA-N 1 2 348.878 3.742 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1F ZINC001171714983 1137505818 /nfs/dbraw/zinc/50/58/18/1137505818.db2.gz YTZVGULMNNEUCM-INIZCTEOSA-N 1 2 327.359 3.822 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171810979 1137514211 /nfs/dbraw/zinc/51/42/11/1137514211.db2.gz FGSDRJPLPIIAEV-DNVCBOLYSA-N 1 2 342.433 3.811 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001171921092 1137517353 /nfs/dbraw/zinc/51/73/53/1137517353.db2.gz RYBNNWKFZXICKE-HXUWFJFHSA-N 1 2 343.423 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001171921092 1137517355 /nfs/dbraw/zinc/51/73/55/1137517355.db2.gz RYBNNWKFZXICKE-HXUWFJFHSA-N 1 2 343.423 3.610 20 0 EHADLO COCCOc1ccccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001212634797 1137525566 /nfs/dbraw/zinc/52/55/66/1137525566.db2.gz GYHHEKQGCVWYEV-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO c1ccc(C[N@@H+]2CCC23CN([C@@H]2CSc4ccccc4C2)C3)cc1 ZINC001172201191 1137543488 /nfs/dbraw/zinc/54/34/88/1137543488.db2.gz FGGLQVXWQSAWQQ-IBGZPJMESA-N 1 2 336.504 3.664 20 0 EHADLO c1ccc(C[N@H+]2CCC23CN([C@@H]2CSc4ccccc4C2)C3)cc1 ZINC001172201191 1137543489 /nfs/dbraw/zinc/54/34/89/1137543489.db2.gz FGGLQVXWQSAWQQ-IBGZPJMESA-N 1 2 336.504 3.664 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172317347 1137546707 /nfs/dbraw/zinc/54/67/07/1137546707.db2.gz QCSPACVQOLAXEO-KEYYUXOJSA-N 1 2 341.879 3.607 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)O1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000888591802 1137564206 /nfs/dbraw/zinc/56/42/06/1137564206.db2.gz HEWCSROIKCWRBQ-AWEZNQCLSA-N 1 2 345.830 3.956 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000872059597 1137568810 /nfs/dbraw/zinc/56/88/10/1137568810.db2.gz ITJWQMJAYFABOS-FUHWJXTLSA-N 1 2 330.472 3.815 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000872061007 1137568943 /nfs/dbraw/zinc/56/89/43/1137568943.db2.gz VIUIXQKMUJOGER-HHXXYDBFSA-N 1 2 332.488 3.917 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000872137567 1137573714 /nfs/dbraw/zinc/57/37/14/1137573714.db2.gz UKGFIIGPUYXIRX-CYBMUJFWSA-N 1 2 326.425 3.669 20 0 EHADLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3ccc(C(F)(F)F)n3)C2)[nH]n1 ZINC000872789944 1137584401 /nfs/dbraw/zinc/58/44/01/1137584401.db2.gz JKDSFCYOYFQEBP-LBPRGKRZSA-N 1 2 341.381 3.586 20 0 EHADLO CC(C)c1cc([C@H]2CCC[N@@H+](Cn3ccc(C(F)(F)F)n3)C2)[nH]n1 ZINC000872789944 1137584402 /nfs/dbraw/zinc/58/44/02/1137584402.db2.gz JKDSFCYOYFQEBP-LBPRGKRZSA-N 1 2 341.381 3.586 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2ccccc2F)ccc1=O)C(C)(C)C ZINC000872818118 1137585049 /nfs/dbraw/zinc/58/50/49/1137585049.db2.gz GRVGVXVEYPJMJQ-CQSZACIVSA-N 1 2 331.435 3.621 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2ccccc2F)ccc1=O)C(C)(C)C ZINC000872818118 1137585050 /nfs/dbraw/zinc/58/50/50/1137585050.db2.gz GRVGVXVEYPJMJQ-CQSZACIVSA-N 1 2 331.435 3.621 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000873081777 1137589729 /nfs/dbraw/zinc/58/97/29/1137589729.db2.gz QUHZIADKADOZNT-UHFFFAOYSA-N 1 2 331.387 3.676 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Br)c2ccccc2n1C)c1ccn(C)n1 ZINC000873130993 1137590933 /nfs/dbraw/zinc/59/09/33/1137590933.db2.gz NOZRKZUXLXIHRZ-LLVKDONJSA-N 1 2 347.260 3.525 20 0 EHADLO CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCCCC1 ZINC000874259558 1137612223 /nfs/dbraw/zinc/61/22/23/1137612223.db2.gz ULGNJGHBNOIZPG-CQSZACIVSA-N 1 2 331.382 3.948 20 0 EHADLO CC(F)(F)c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874890652 1137625619 /nfs/dbraw/zinc/62/56/19/1137625619.db2.gz WKAJSHODMHCZKT-QGZVFWFLSA-N 1 2 348.368 3.724 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893919 1137625788 /nfs/dbraw/zinc/62/57/88/1137625788.db2.gz WYGFONYUPJMXDA-KRWDZBQOSA-N 1 2 346.471 3.691 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+](C)[C@H](C)c3ccccc3)nn2)cc1 ZINC000876545288 1137654965 /nfs/dbraw/zinc/65/49/65/1137654965.db2.gz CLXLGGGMCAAJQM-MRXNPFEDSA-N 1 2 336.439 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+](C)[C@H](C)c3ccccc3)nn2)cc1 ZINC000876545288 1137654966 /nfs/dbraw/zinc/65/49/66/1137654966.db2.gz CLXLGGGMCAAJQM-MRXNPFEDSA-N 1 2 336.439 3.528 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)on1 ZINC000876695001 1137659289 /nfs/dbraw/zinc/65/92/89/1137659289.db2.gz XTNHBRUSGUNITK-SFHVURJKSA-N 1 2 339.395 3.670 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)on1 ZINC000876695001 1137659290 /nfs/dbraw/zinc/65/92/90/1137659290.db2.gz XTNHBRUSGUNITK-SFHVURJKSA-N 1 2 339.395 3.670 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000876767815 1137660836 /nfs/dbraw/zinc/66/08/36/1137660836.db2.gz APUDDUZDZZQPCB-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000876767815 1137660837 /nfs/dbraw/zinc/66/08/37/1137660837.db2.gz APUDDUZDZZQPCB-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nccc(C)c1Br ZINC000876806274 1137661838 /nfs/dbraw/zinc/66/18/38/1137661838.db2.gz MUTQFNYNHXQQHL-OAHLLOKOSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nccc(C)c1Br ZINC000876806274 1137661839 /nfs/dbraw/zinc/66/18/39/1137661839.db2.gz MUTQFNYNHXQQHL-OAHLLOKOSA-N 1 2 349.276 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(N3CCCCC3=O)c2)c1C ZINC000876822975 1137662765 /nfs/dbraw/zinc/66/27/65/1137662765.db2.gz SXFGSIQYKRMWNB-UHFFFAOYSA-N 1 2 339.439 3.836 20 0 EHADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CCSCC1 ZINC000126223247 1137664701 /nfs/dbraw/zinc/66/47/01/1137664701.db2.gz XYKNDPBCCAZZAM-UHFFFAOYSA-N 1 2 339.867 3.581 20 0 EHADLO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877140001 1137671411 /nfs/dbraw/zinc/67/14/11/1137671411.db2.gz JHMYQKUOEBNPDK-INIZCTEOSA-N 1 2 341.213 3.621 20 0 EHADLO O[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877140001 1137671412 /nfs/dbraw/zinc/67/14/12/1137671412.db2.gz JHMYQKUOEBNPDK-INIZCTEOSA-N 1 2 341.213 3.621 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000877425818 1137675992 /nfs/dbraw/zinc/67/59/92/1137675992.db2.gz PTLUCUKVNMTZFV-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000877425818 1137675993 /nfs/dbraw/zinc/67/59/93/1137675993.db2.gz PTLUCUKVNMTZFV-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3c(ccnc3Cl)o2)[nH]1 ZINC000877475608 1137677500 /nfs/dbraw/zinc/67/75/00/1137677500.db2.gz UTKVCWILMLZINP-UWVGGRQHSA-N 1 2 333.823 3.964 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877495356 1137678511 /nfs/dbraw/zinc/67/85/11/1137678511.db2.gz CNENPWNHSJEPOG-CQSZACIVSA-N 1 2 341.455 3.847 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1C ZINC000877570152 1137681578 /nfs/dbraw/zinc/68/15/78/1137681578.db2.gz DBCZJUGYJAJJAE-ZDUSSCGKSA-N 1 2 336.357 3.901 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cccnc2Br)[C@H](c2ccccc2)C1 ZINC000877672436 1137685193 /nfs/dbraw/zinc/68/51/93/1137685193.db2.gz FBOHNYYPJNMFGT-HOTGVXAUSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cccnc2Br)[C@H](c2ccccc2)C1 ZINC000877672436 1137685194 /nfs/dbraw/zinc/68/51/94/1137685194.db2.gz FBOHNYYPJNMFGT-HOTGVXAUSA-N 1 2 347.256 3.542 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)o1 ZINC000877698708 1137686315 /nfs/dbraw/zinc/68/63/15/1137686315.db2.gz WNEAGNRBXMRBEA-UHFFFAOYSA-N 1 2 349.431 3.626 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CCO2)cc1 ZINC000877757438 1137688312 /nfs/dbraw/zinc/68/83/12/1137688312.db2.gz JNKNOOLWFBMGNP-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCO2)cc1 ZINC000877757438 1137688313 /nfs/dbraw/zinc/68/83/13/1137688313.db2.gz JNKNOOLWFBMGNP-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000877772907 1137689391 /nfs/dbraw/zinc/68/93/91/1137689391.db2.gz BTBCHJHYYSYSCW-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000877772907 1137689392 /nfs/dbraw/zinc/68/93/92/1137689392.db2.gz BTBCHJHYYSYSCW-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO COc1ncc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)s1 ZINC000877807762 1137690527 /nfs/dbraw/zinc/69/05/27/1137690527.db2.gz TZBFWBNTUIVXHC-UHFFFAOYSA-N 1 2 337.754 3.509 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H](C(F)(F)F)O1 ZINC000877825097 1137692447 /nfs/dbraw/zinc/69/24/47/1137692447.db2.gz XAIZCWBYIRUYCP-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@H](C(F)(F)F)O1 ZINC000877825097 1137692448 /nfs/dbraw/zinc/69/24/48/1137692448.db2.gz XAIZCWBYIRUYCP-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO CC1(C)[NH2+][C@@]2(CCC[C@@H](C(F)(F)F)C2)N(CC2CCCC2)C1=O ZINC000877857764 1137693696 /nfs/dbraw/zinc/69/36/96/1137693696.db2.gz ZMSJKQUXFUKCTN-CJNGLKHVSA-N 1 2 332.410 3.836 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000877894504 1137694508 /nfs/dbraw/zinc/69/45/08/1137694508.db2.gz OYKSGVHXKJTZRG-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000877894504 1137694509 /nfs/dbraw/zinc/69/45/09/1137694509.db2.gz OYKSGVHXKJTZRG-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878131322 1137703798 /nfs/dbraw/zinc/70/37/98/1137703798.db2.gz MFHPYVJQQNJINS-ZDUSSCGKSA-N 1 2 339.361 3.572 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc([S@@](C)=O)cc1 ZINC000878170367 1137705579 /nfs/dbraw/zinc/70/55/79/1137705579.db2.gz ZNYMCAKLVVSZGH-JOCHJYFZSA-N 1 2 331.359 3.668 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc([S@@](C)=O)cc1 ZINC000878170367 1137705580 /nfs/dbraw/zinc/70/55/80/1137705580.db2.gz ZNYMCAKLVVSZGH-JOCHJYFZSA-N 1 2 331.359 3.668 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000878232026 1137708025 /nfs/dbraw/zinc/70/80/25/1137708025.db2.gz NRHYAGKRFZRFDL-NVBFEUDRSA-N 1 2 346.254 3.564 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000878232026 1137708026 /nfs/dbraw/zinc/70/80/26/1137708026.db2.gz NRHYAGKRFZRFDL-NVBFEUDRSA-N 1 2 346.254 3.564 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)co1 ZINC000878315754 1137710757 /nfs/dbraw/zinc/71/07/57/1137710757.db2.gz VFJFTPMSCMAZMJ-NSHDSACASA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C(F)(F)F)C2)co1 ZINC000878315754 1137710758 /nfs/dbraw/zinc/71/07/58/1137710758.db2.gz VFJFTPMSCMAZMJ-NSHDSACASA-N 1 2 326.318 3.734 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000878347697 1137711945 /nfs/dbraw/zinc/71/19/45/1137711945.db2.gz QOPWCHJXMALQBY-ZDUSSCGKSA-N 1 2 339.395 3.692 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)c1 ZINC000878357000 1137712376 /nfs/dbraw/zinc/71/23/76/1137712376.db2.gz ZYSWOEFHROOXAS-CYBMUJFWSA-N 1 2 339.395 3.692 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1ccccc1 ZINC000878368152 1137713060 /nfs/dbraw/zinc/71/30/60/1137713060.db2.gz HNJGKTHSOPPXHQ-FPTDNZKUSA-N 1 2 331.359 3.508 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1nnc2ccccn21 ZINC000878376020 1137713477 /nfs/dbraw/zinc/71/34/77/1137713477.db2.gz UDKRVSVVBVQXAJ-AWEZNQCLSA-N 1 2 338.333 3.828 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392997 1137714121 /nfs/dbraw/zinc/71/41/21/1137714121.db2.gz TYZITSISKJWMCB-ZYHUDNBSSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392997 1137714122 /nfs/dbraw/zinc/71/41/22/1137714122.db2.gz TYZITSISKJWMCB-ZYHUDNBSSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427293 1137715500 /nfs/dbraw/zinc/71/55/00/1137715500.db2.gz AAUJUAZCJKBTOF-GUYCJALGSA-N 1 2 339.468 3.522 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427293 1137715501 /nfs/dbraw/zinc/71/55/01/1137715501.db2.gz AAUJUAZCJKBTOF-GUYCJALGSA-N 1 2 339.468 3.522 20 0 EHADLO CCOC1CC2(C1)CC[N@H+](Cc1nc(C)c(Br)s1)C2 ZINC000878611957 1137722247 /nfs/dbraw/zinc/72/22/47/1137722247.db2.gz XYOFVUFFBPQMQU-UHFFFAOYSA-N 1 2 345.306 3.605 20 0 EHADLO CCOC1CC2(C1)CC[N@@H+](Cc1nc(C)c(Br)s1)C2 ZINC000878611957 1137722248 /nfs/dbraw/zinc/72/22/48/1137722248.db2.gz XYOFVUFFBPQMQU-UHFFFAOYSA-N 1 2 345.306 3.605 20 0 EHADLO CC(=O)C1CC[NH+](Cc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000878672494 1137724651 /nfs/dbraw/zinc/72/46/51/1137724651.db2.gz RJJFUOIXHVPVSS-UHFFFAOYSA-N 1 2 335.407 3.691 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878813179 1137728884 /nfs/dbraw/zinc/72/88/84/1137728884.db2.gz JMNCPSNBFPCEIL-IAQYHMDHSA-N 1 2 328.790 3.707 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878813179 1137728885 /nfs/dbraw/zinc/72/88/85/1137728885.db2.gz JMNCPSNBFPCEIL-IAQYHMDHSA-N 1 2 328.790 3.707 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)CCO1 ZINC000878997188 1137734771 /nfs/dbraw/zinc/73/47/71/1137734771.db2.gz CCUFUVBQVIKNJR-BZUAXINKSA-N 1 2 329.362 3.560 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)CCO1 ZINC000878997188 1137734772 /nfs/dbraw/zinc/73/47/72/1137734772.db2.gz CCUFUVBQVIKNJR-BZUAXINKSA-N 1 2 329.362 3.560 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000879606523 1137752222 /nfs/dbraw/zinc/75/22/22/1137752222.db2.gz WARCNEKQTJHHBS-APWZRJJASA-N 1 2 341.455 3.983 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](C[C@@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636042 1137752992 /nfs/dbraw/zinc/75/29/92/1137752992.db2.gz FRQWAHCHHOJVQY-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](C[C@@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636042 1137752993 /nfs/dbraw/zinc/75/29/93/1137752993.db2.gz FRQWAHCHHOJVQY-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690201 1137755428 /nfs/dbraw/zinc/75/54/28/1137755428.db2.gz KSPVPFZKHKSCPO-HOCLYGCPSA-N 1 2 340.471 3.913 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690201 1137755429 /nfs/dbraw/zinc/75/54/29/1137755429.db2.gz KSPVPFZKHKSCPO-HOCLYGCPSA-N 1 2 340.471 3.913 20 0 EHADLO O=C(CC[C@@H]1CCc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000879814508 1137759500 /nfs/dbraw/zinc/75/95/00/1137759500.db2.gz JDNJYIMUYQNNAS-PKOBYXMFSA-N 1 2 336.435 3.572 20 0 EHADLO CN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)c[nH+]1 ZINC000023619007 1137762449 /nfs/dbraw/zinc/76/24/49/1137762449.db2.gz SRECXDKHCLEZEY-UHFFFAOYSA-N 1 2 333.317 3.853 20 0 EHADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000879964581 1137763536 /nfs/dbraw/zinc/76/35/36/1137763536.db2.gz JSMKVUKZHSEKQG-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000879964581 1137763537 /nfs/dbraw/zinc/76/35/37/1137763537.db2.gz JSMKVUKZHSEKQG-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@@](C)(C(F)(F)F)C3)nc(N)c2c1C ZINC000880002055 1137764608 /nfs/dbraw/zinc/76/46/08/1137764608.db2.gz DSBXNELOQSWQCE-CQSZACIVSA-N 1 2 344.406 3.665 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@@](C)(C(F)(F)F)C3)nc(N)c2c1C ZINC000880002055 1137764609 /nfs/dbraw/zinc/76/46/09/1137764609.db2.gz DSBXNELOQSWQCE-CQSZACIVSA-N 1 2 344.406 3.665 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043527 1137766482 /nfs/dbraw/zinc/76/64/82/1137766482.db2.gz LDICXZWEPHFUOG-HNNXBMFYSA-N 1 2 340.345 3.803 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043527 1137766483 /nfs/dbraw/zinc/76/64/83/1137766483.db2.gz LDICXZWEPHFUOG-HNNXBMFYSA-N 1 2 340.345 3.803 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2coc(-c3ccccc3F)n2)(c2ccccc2)C1 ZINC000880221318 1137771270 /nfs/dbraw/zinc/77/12/70/1137771270.db2.gz DNVKJSGTPHPWOX-MOBUCQHHSA-N 1 2 338.382 3.621 20 0 EHADLO FC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000880243240 1137771926 /nfs/dbraw/zinc/77/19/26/1137771926.db2.gz GEAMCKBMOAWFMV-UHFFFAOYSA-N 1 2 329.297 3.689 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880267411 1137772430 /nfs/dbraw/zinc/77/24/30/1137772430.db2.gz DSVZSUBWFOHPDW-UHFFFAOYSA-N 1 2 345.752 3.580 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880267411 1137772431 /nfs/dbraw/zinc/77/24/31/1137772431.db2.gz DSVZSUBWFOHPDW-UHFFFAOYSA-N 1 2 345.752 3.580 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000880304169 1137774075 /nfs/dbraw/zinc/77/40/75/1137774075.db2.gz WLLGBWBOHRBPMS-CQSZACIVSA-N 1 2 346.374 3.865 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000880304169 1137774076 /nfs/dbraw/zinc/77/40/76/1137774076.db2.gz WLLGBWBOHRBPMS-CQSZACIVSA-N 1 2 346.374 3.865 20 0 EHADLO CCCCc1noc(C[N@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134106 1137785412 /nfs/dbraw/zinc/78/54/12/1137785412.db2.gz ASMZLQUYANXUFR-CRAIPNDOSA-N 1 2 343.471 3.937 20 0 EHADLO CCCCc1noc(C[N@@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134106 1137785413 /nfs/dbraw/zinc/78/54/13/1137785413.db2.gz ASMZLQUYANXUFR-CRAIPNDOSA-N 1 2 343.471 3.937 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(F)c1C(C)(F)F ZINC000880735376 1137787516 /nfs/dbraw/zinc/78/75/16/1137787516.db2.gz MMSDOBUHPRGFKR-UHFFFAOYSA-N 1 2 340.349 3.688 20 0 EHADLO Fc1ccc(C[NH+]2CCN(Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC001137885582 1137805659 /nfs/dbraw/zinc/80/56/59/1137805659.db2.gz YGVZTDYTMGIMRH-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2(C)C)cc1 ZINC000881660071 1137813185 /nfs/dbraw/zinc/81/31/85/1137813185.db2.gz KPBKMWOKPWYHBQ-MAUKXSAKSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2(C)C)cc1 ZINC000881660071 1137813186 /nfs/dbraw/zinc/81/31/86/1137813186.db2.gz KPBKMWOKPWYHBQ-MAUKXSAKSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2(C)C)cc1 ZINC000881660022 1137813200 /nfs/dbraw/zinc/81/32/00/1137813200.db2.gz JQZCQFSMEWQAPN-MSOLQXFVSA-N 1 2 337.467 3.549 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC001137169657 1137817837 /nfs/dbraw/zinc/81/78/37/1137817837.db2.gz LVBJMUZGGGIBDQ-IAGOWNOFSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC001137169657 1137817838 /nfs/dbraw/zinc/81/78/38/1137817838.db2.gz LVBJMUZGGGIBDQ-IAGOWNOFSA-N 1 2 344.842 3.861 20 0 EHADLO C[C@H]1c2sccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000882186579 1137823357 /nfs/dbraw/zinc/82/33/57/1137823357.db2.gz FRHGEBDWSDZDNP-AWEZNQCLSA-N 1 2 337.448 3.752 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(N2CCCCC2)c(F)c1)n1cc[nH+]c1 ZINC000882651934 1137830759 /nfs/dbraw/zinc/83/07/59/1137830759.db2.gz WCKYXHILLPYVKG-AWEZNQCLSA-N 1 2 330.407 3.602 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C(C)C ZINC000882652254 1137830827 /nfs/dbraw/zinc/83/08/27/1137830827.db2.gz OSNXBHVHXFCIHE-HNNXBMFYSA-N 1 2 341.455 3.996 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000130975047 1137844539 /nfs/dbraw/zinc/84/45/39/1137844539.db2.gz OJMMPYQGLIQWQM-HNNXBMFYSA-N 1 2 348.541 3.805 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000130975047 1137844540 /nfs/dbraw/zinc/84/45/40/1137844540.db2.gz OJMMPYQGLIQWQM-HNNXBMFYSA-N 1 2 348.541 3.805 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(Cl)n1 ZINC000883292288 1137853081 /nfs/dbraw/zinc/85/30/81/1137853081.db2.gz JQRROBDXJIKHSW-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO Cc1nn2c(C[NH2+][C@H]3c4ccccc4CC[C@H]3F)c(C)nc2s1 ZINC000883382814 1137858323 /nfs/dbraw/zinc/85/83/23/1137858323.db2.gz NOYHTJRLYKGUQK-ZBFHGGJFSA-N 1 2 330.432 3.523 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883383136 1137858635 /nfs/dbraw/zinc/85/86/35/1137858635.db2.gz UBWVYLSERVJFFB-UYAOXDASSA-N 1 2 345.414 3.793 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000131920459 1137861397 /nfs/dbraw/zinc/86/13/97/1137861397.db2.gz YFXAJUWGPOENDK-KRWDZBQOSA-N 1 2 347.459 3.699 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000131920459 1137861398 /nfs/dbraw/zinc/86/13/98/1137861398.db2.gz YFXAJUWGPOENDK-KRWDZBQOSA-N 1 2 347.459 3.699 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1=S ZINC000132335791 1137865374 /nfs/dbraw/zinc/86/53/74/1137865374.db2.gz VBWPJLVKOYHAST-MRXNPFEDSA-N 1 2 348.491 3.794 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1=S ZINC000132335791 1137865375 /nfs/dbraw/zinc/86/53/75/1137865375.db2.gz VBWPJLVKOYHAST-MRXNPFEDSA-N 1 2 348.491 3.794 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000132784603 1137869361 /nfs/dbraw/zinc/86/93/61/1137869361.db2.gz XUCYQCXAWCKKJK-UHFFFAOYSA-N 1 2 333.432 3.561 20 0 EHADLO O=C(NCC1(CC2CC2)CC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883860769 1137875619 /nfs/dbraw/zinc/87/56/19/1137875619.db2.gz KNWRTESOMYPPJM-GOSISDBHSA-N 1 2 338.455 3.504 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000107342022 1137886641 /nfs/dbraw/zinc/88/66/41/1137886641.db2.gz OKRMDHOFAXHZBJ-LBPRGKRZSA-N 1 2 340.254 3.575 20 0 EHADLO CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000007360896 1137891348 /nfs/dbraw/zinc/89/13/48/1137891348.db2.gz BENZZTZMIYBPPQ-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000007360896 1137891349 /nfs/dbraw/zinc/89/13/49/1137891349.db2.gz BENZZTZMIYBPPQ-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000111376368 1137904431 /nfs/dbraw/zinc/90/44/31/1137904431.db2.gz WICNXYRLKJHKER-VXGBXAGGSA-N 1 2 335.448 3.831 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681415 1137917023 /nfs/dbraw/zinc/91/70/23/1137917023.db2.gz WFGBUDZOXOFLIQ-XJKSGUPXSA-N 1 2 328.460 3.694 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681415 1137917024 /nfs/dbraw/zinc/91/70/24/1137917024.db2.gz WFGBUDZOXOFLIQ-XJKSGUPXSA-N 1 2 328.460 3.694 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)[nH+]1 ZINC000332091627 1137931341 /nfs/dbraw/zinc/93/13/41/1137931341.db2.gz MYUIETCTAVRVHP-GFCCVEGCSA-N 1 2 327.384 3.618 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOc3c(C)cccc32)c(C)[nH+]1 ZINC000332183971 1137934815 /nfs/dbraw/zinc/93/48/15/1137934815.db2.gz WBRXAFLEDFGOCT-MRXNPFEDSA-N 1 2 325.412 3.961 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000332216356 1137936007 /nfs/dbraw/zinc/93/60/07/1137936007.db2.gz KUWNMDNWGUHJMM-UHFFFAOYSA-N 1 2 334.391 3.521 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)O1 ZINC000332415477 1137943273 /nfs/dbraw/zinc/94/32/73/1137943273.db2.gz LVWKUTOFIHSLBH-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](CCc3cc(Cl)cc(Cl)c3)C2)O1 ZINC000332415477 1137943274 /nfs/dbraw/zinc/94/32/74/1137943274.db2.gz LVWKUTOFIHSLBH-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)no1 ZINC000282911497 1137945922 /nfs/dbraw/zinc/94/59/22/1137945922.db2.gz XJBQLZFYPVPZLE-SFHVURJKSA-N 1 2 349.862 3.512 20 0 EHADLO Cc1nnc([C@H]2CC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000333086614 1137954964 /nfs/dbraw/zinc/95/49/64/1137954964.db2.gz BRVSRVCPFSRXRS-AWEZNQCLSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333086614 1137954965 /nfs/dbraw/zinc/95/49/65/1137954965.db2.gz BRVSRVCPFSRXRS-AWEZNQCLSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333086614 1137954966 /nfs/dbraw/zinc/95/49/66/1137954966.db2.gz BRVSRVCPFSRXRS-AWEZNQCLSA-N 1 2 331.489 3.607 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000333132637 1137956263 /nfs/dbraw/zinc/95/62/63/1137956263.db2.gz DYWPNSYDBNKQBS-CUYVQJCZSA-N 1 2 333.476 3.924 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000333132637 1137956264 /nfs/dbraw/zinc/95/62/64/1137956264.db2.gz DYWPNSYDBNKQBS-CUYVQJCZSA-N 1 2 333.476 3.924 20 0 EHADLO CCN(C)c1ccc(Nc2cnc(OC)c(C(F)(F)F)c2)c[nH+]1 ZINC001212801593 1137965156 /nfs/dbraw/zinc/96/51/56/1137965156.db2.gz ZTPYEYCGHFPLFF-UHFFFAOYSA-N 1 2 326.322 3.704 20 0 EHADLO Clc1cccc2ccc(C[NH+]3CCN(c4ccccn4)CC3)nc12 ZINC001137219968 1138020762 /nfs/dbraw/zinc/02/07/62/1138020762.db2.gz RAJPVPGDMJBGGQ-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248331 1138023003 /nfs/dbraw/zinc/02/30/03/1138023003.db2.gz MXMVFKHNROSTSS-FUHWJXTLSA-N 1 2 328.460 3.845 20 0 EHADLO C[C@H]1CCCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890253071 1138032345 /nfs/dbraw/zinc/03/23/45/1138032345.db2.gz WFICOBUIYKIUNZ-WMZOPIPTSA-N 1 2 326.444 3.599 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccccc2OCC(F)F)C1 ZINC000886049274 1138035237 /nfs/dbraw/zinc/03/52/37/1138035237.db2.gz JNZQJYSVQXLYAK-KRWDZBQOSA-N 1 2 332.394 3.607 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccccc2OCC(F)F)C1 ZINC000886049274 1138035239 /nfs/dbraw/zinc/03/52/39/1138035239.db2.gz JNZQJYSVQXLYAK-KRWDZBQOSA-N 1 2 332.394 3.607 20 0 EHADLO Fc1cnc(Cl)c(C[NH2+]Cc2ccccc2OCC(F)F)c1 ZINC000886129352 1138049938 /nfs/dbraw/zinc/04/99/38/1138049938.db2.gz COSPYWQVVAKXSB-UHFFFAOYSA-N 1 2 330.737 3.808 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)s1 ZINC000886263701 1138062671 /nfs/dbraw/zinc/06/26/71/1138062671.db2.gz DJLWAWXPHNIDBB-UHFFFAOYSA-N 1 2 348.472 3.737 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H]1CCc2cccnc21)c1nc(-c2cccnc2)no1 ZINC000886522256 1138089294 /nfs/dbraw/zinc/08/92/94/1138089294.db2.gz GAHPXQJZFVLLAG-CVEARBPZSA-N 1 2 335.411 3.501 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccnc(OC2CCCCC2)c1 ZINC000348390844 1138094983 /nfs/dbraw/zinc/09/49/83/1138094983.db2.gz LYNHXHQFZJZWPR-UHFFFAOYSA-N 1 2 336.395 3.693 20 0 EHADLO COC(=O)[C@@H]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000886583826 1138098922 /nfs/dbraw/zinc/09/89/22/1138098922.db2.gz DACIBWLQHGLUBJ-WBVHZDCISA-N 1 2 339.439 3.640 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000886601380 1138100711 /nfs/dbraw/zinc/10/07/11/1138100711.db2.gz QZQTYZFLROROKZ-RDJZCZTQSA-N 1 2 339.439 3.640 20 0 EHADLO Fc1cc(Br)c(C[NH2+][C@H]2CCc3cccnc32)cc1F ZINC000886609067 1138101283 /nfs/dbraw/zinc/10/12/83/1138101283.db2.gz LFPWMTFQUYVUBJ-AWEZNQCLSA-N 1 2 339.183 3.899 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000074188470 1138118873 /nfs/dbraw/zinc/11/88/73/1138118873.db2.gz JRJKHBKJPUBRHI-UFRUDQCGSA-N 1 2 341.499 3.583 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997173 1138129664 /nfs/dbraw/zinc/12/96/64/1138129664.db2.gz DEEGGKHRQPHTHT-ZDUSSCGKSA-N 1 2 328.378 3.905 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000886792225 1138141479 /nfs/dbraw/zinc/14/14/79/1138141479.db2.gz RFSJITDBZJAQJP-ZDUSSCGKSA-N 1 2 348.415 3.618 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000886792225 1138141481 /nfs/dbraw/zinc/14/14/81/1138141481.db2.gz RFSJITDBZJAQJP-ZDUSSCGKSA-N 1 2 348.415 3.618 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000886798443 1138143458 /nfs/dbraw/zinc/14/34/58/1138143458.db2.gz AXWLKPDSVMYEIN-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000886798443 1138143459 /nfs/dbraw/zinc/14/34/59/1138143459.db2.gz AXWLKPDSVMYEIN-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO CC[C@H]([NH2+]Cc1noc(CCOC)n1)c1cccc2ccccc21 ZINC000886919802 1138172367 /nfs/dbraw/zinc/17/23/67/1138172367.db2.gz VVHUTUKGGAKNKI-KRWDZBQOSA-N 1 2 325.412 3.653 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1nnnn1C1CCCCC1 ZINC000886922919 1138172756 /nfs/dbraw/zinc/17/27/56/1138172756.db2.gz FHCVBNHDJIJJQQ-SJCJKPOMSA-N 1 2 329.423 3.656 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3cnccc3Cl)CC2)c1 ZINC001137235110 1138183151 /nfs/dbraw/zinc/18/31/51/1138183151.db2.gz CDKJBSSVUXIUAW-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccco1 ZINC000090534259 1138211412 /nfs/dbraw/zinc/21/14/12/1138211412.db2.gz STHKMSQOUWLENN-OXJNMPFZSA-N 1 2 337.423 3.778 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccn1 ZINC000090912994 1138214311 /nfs/dbraw/zinc/21/43/11/1138214311.db2.gz ZKPOKIULWOGCAR-DYESRHJHSA-N 1 2 348.450 3.580 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000091513519 1138219697 /nfs/dbraw/zinc/21/96/97/1138219697.db2.gz ZMNVWMZEEFSBDW-LBPRGKRZSA-N 1 2 341.484 3.868 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000091513519 1138219699 /nfs/dbraw/zinc/21/96/99/1138219699.db2.gz ZMNVWMZEEFSBDW-LBPRGKRZSA-N 1 2 341.484 3.868 20 0 EHADLO COCc1ccc(C[N@H+](C)Cc2csc(Br)c2)o1 ZINC000092220107 1138225944 /nfs/dbraw/zinc/22/59/44/1138225944.db2.gz SWGUCFBFTFBIGD-UHFFFAOYSA-N 1 2 330.247 3.882 20 0 EHADLO COCc1ccc(C[N@@H+](C)Cc2csc(Br)c2)o1 ZINC000092220107 1138225945 /nfs/dbraw/zinc/22/59/45/1138225945.db2.gz SWGUCFBFTFBIGD-UHFFFAOYSA-N 1 2 330.247 3.882 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Br)c(OC)s1)c1ccco1 ZINC000121637166 1138247800 /nfs/dbraw/zinc/24/78/00/1138247800.db2.gz HIYOEUSMXMCKIF-LLVKDONJSA-N 1 2 346.246 3.590 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000122429986 1138257856 /nfs/dbraw/zinc/25/78/56/1138257856.db2.gz LYSRLTIZTZSSCY-MRXNPFEDSA-N 1 2 349.434 3.930 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123588097 1138271881 /nfs/dbraw/zinc/27/18/81/1138271881.db2.gz PTDIVZKNHNUHCA-SWLSCSKDSA-N 1 2 337.345 3.625 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccccc3F)no2)CC2(CCCC2)O1 ZINC000333362993 1138281344 /nfs/dbraw/zinc/28/13/44/1138281344.db2.gz UQUKLFDUAUSPTL-UHFFFAOYSA-N 1 2 345.418 3.799 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccccc3F)no2)CC2(CCCC2)O1 ZINC000333362993 1138281346 /nfs/dbraw/zinc/28/13/46/1138281346.db2.gz UQUKLFDUAUSPTL-UHFFFAOYSA-N 1 2 345.418 3.799 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1cccc2c1N=S=N2 ZINC000125575221 1138311822 /nfs/dbraw/zinc/31/18/22/1138311822.db2.gz AZWZTDQSCYSREM-OAHLLOKOSA-N 1 2 339.424 3.584 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1cccc2c1N=S=N2 ZINC000125575221 1138311824 /nfs/dbraw/zinc/31/18/24/1138311824.db2.gz AZWZTDQSCYSREM-OAHLLOKOSA-N 1 2 339.424 3.584 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000125819034 1138316839 /nfs/dbraw/zinc/31/68/39/1138316839.db2.gz ORYLRWLITJMIQB-APWZRJJASA-N 1 2 325.456 3.542 20 0 EHADLO COC1(CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCC1 ZINC000333675371 1138318284 /nfs/dbraw/zinc/31/82/84/1138318284.db2.gz DJIVDMDYWZKHDJ-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126238361 1138326887 /nfs/dbraw/zinc/32/68/87/1138326887.db2.gz OIKLXHQPUXXQFX-KKPOOLQDSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126373296 1138329767 /nfs/dbraw/zinc/32/97/67/1138329767.db2.gz PONNNYHYBSHGTI-BXUZGUMPSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263658380 1138337373 /nfs/dbraw/zinc/33/73/73/1138337373.db2.gz DCYPRMKGPYLUAB-JXFKEZNVSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263658380 1138337376 /nfs/dbraw/zinc/33/73/76/1138337376.db2.gz DCYPRMKGPYLUAB-JXFKEZNVSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282989968 1138337501 /nfs/dbraw/zinc/33/75/01/1138337501.db2.gz XYFZWXISLBCMLD-MRXNPFEDSA-N 1 2 338.455 3.939 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000127151007 1138347978 /nfs/dbraw/zinc/34/79/78/1138347978.db2.gz BFTBZFMTYUNFIR-BBRMVZONSA-N 1 2 332.835 3.960 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127738232 1138369234 /nfs/dbraw/zinc/36/92/34/1138369234.db2.gz MMXVQAOJRVVOCC-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127738232 1138369238 /nfs/dbraw/zinc/36/92/38/1138369238.db2.gz MMXVQAOJRVVOCC-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263844410 1138378727 /nfs/dbraw/zinc/37/87/27/1138378727.db2.gz QUSKPNQCBYUEJW-SFHVURJKSA-N 1 2 340.471 3.739 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263915410 1138391966 /nfs/dbraw/zinc/39/19/66/1138391966.db2.gz BKVFNKWLCQWKJB-AWEZNQCLSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263942274 1138395801 /nfs/dbraw/zinc/39/58/01/1138395801.db2.gz JUIODDUCTVPSGO-GFCCVEGCSA-N 1 2 337.395 3.744 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128736402 1138396861 /nfs/dbraw/zinc/39/68/61/1138396861.db2.gz UYDILNMIIYYTED-RDJZCZTQSA-N 1 2 342.443 3.705 20 0 EHADLO CC[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000264091974 1138416648 /nfs/dbraw/zinc/41/66/48/1138416648.db2.gz WWFKOXOXJWRNKL-GOSISDBHSA-N 1 2 337.467 3.882 20 0 EHADLO CSc1ccc(C)c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000264117028 1138422735 /nfs/dbraw/zinc/42/27/35/1138422735.db2.gz DSGWVTZBNYWKNJ-UHFFFAOYSA-N 1 2 329.469 3.734 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000264158649 1138431322 /nfs/dbraw/zinc/43/13/22/1138431322.db2.gz INDVLGNNDRFAGP-CVEARBPZSA-N 1 2 325.456 3.971 20 0 EHADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000264210574 1138444091 /nfs/dbraw/zinc/44/40/91/1138444091.db2.gz VXHXOJAADGUDOV-HNNXBMFYSA-N 1 2 329.419 3.723 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000130330547 1138448859 /nfs/dbraw/zinc/44/88/59/1138448859.db2.gz GHVXHKILGMYNPK-LBPRGKRZSA-N 1 2 336.407 3.545 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000264266278 1138458900 /nfs/dbraw/zinc/45/89/00/1138458900.db2.gz SVWKRWRZXWCPJA-ZACQAIPSSA-N 1 2 345.487 3.590 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000130506602 1138458949 /nfs/dbraw/zinc/45/89/49/1138458949.db2.gz NPGOLJAYHCCTCE-MRXNPFEDSA-N 1 2 346.862 3.764 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000130506602 1138458953 /nfs/dbraw/zinc/45/89/53/1138458953.db2.gz NPGOLJAYHCCTCE-MRXNPFEDSA-N 1 2 346.862 3.764 20 0 EHADLO Cc1ccc(F)cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264275146 1138461225 /nfs/dbraw/zinc/46/12/25/1138461225.db2.gz SHXWYYAGKSJXQF-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000337089391 1138464177 /nfs/dbraw/zinc/46/41/77/1138464177.db2.gz IMWPNBNGUAIPGK-CQSZACIVSA-N 1 2 344.484 3.666 20 0 EHADLO COc1ncc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)c(C)n1 ZINC000337185276 1138489174 /nfs/dbraw/zinc/48/91/74/1138489174.db2.gz OTJRKDAUPZGTLH-UHFFFAOYSA-N 1 2 329.831 3.736 20 0 EHADLO COc1ncc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)c(C)n1 ZINC000337185276 1138489177 /nfs/dbraw/zinc/48/91/77/1138489177.db2.gz OTJRKDAUPZGTLH-UHFFFAOYSA-N 1 2 329.831 3.736 20 0 EHADLO C(=C\[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205913 1138495490 /nfs/dbraw/zinc/49/54/90/1138495490.db2.gz LMNRGEQWRWEAAN-QQBSYFJQSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C\[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205913 1138495492 /nfs/dbraw/zinc/49/54/92/1138495492.db2.gz LMNRGEQWRWEAAN-QQBSYFJQSA-N 1 2 330.435 3.945 20 0 EHADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccc1Oc1cccnc1 ZINC000337220218 1138499160 /nfs/dbraw/zinc/49/91/60/1138499160.db2.gz BUDLWLNSSSCTLH-HNNXBMFYSA-N 1 2 328.412 3.647 20 0 EHADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1Oc1cccnc1 ZINC000337220218 1138499162 /nfs/dbraw/zinc/49/91/62/1138499162.db2.gz BUDLWLNSSSCTLH-HNNXBMFYSA-N 1 2 328.412 3.647 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000337263318 1138512828 /nfs/dbraw/zinc/51/28/28/1138512828.db2.gz YWTBDOJUHQHRIL-UHFFFAOYSA-N 1 2 335.382 3.518 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OCC ZINC000337297112 1138523748 /nfs/dbraw/zinc/52/37/48/1138523748.db2.gz OPTVBIVSQRRQMH-UHFFFAOYSA-N 1 2 346.475 3.510 20 0 EHADLO Cc1cnc(C[NH2+][C@H]2CCOc3c(Br)cccc32)s1 ZINC000337368035 1138546768 /nfs/dbraw/zinc/54/67/68/1138546768.db2.gz NGYBEYSIZRATPZ-LBPRGKRZSA-N 1 2 339.258 3.827 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000132025258 1138557515 /nfs/dbraw/zinc/55/75/15/1138557515.db2.gz UDRUYYDBNDXJSP-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1cccnc1 ZINC000132330248 1138574272 /nfs/dbraw/zinc/57/42/72/1138574272.db2.gz QISSEWHCEPZMRV-NRFANRHFSA-N 1 2 337.467 3.561 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1cccnc1 ZINC000132330248 1138574275 /nfs/dbraw/zinc/57/42/75/1138574275.db2.gz QISSEWHCEPZMRV-NRFANRHFSA-N 1 2 337.467 3.561 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444351 1138581322 /nfs/dbraw/zinc/58/13/22/1138581322.db2.gz FQPBDNGCUURCEA-HUUCEWRRSA-N 1 2 337.423 3.526 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444351 1138581326 /nfs/dbraw/zinc/58/13/26/1138581326.db2.gz FQPBDNGCUURCEA-HUUCEWRRSA-N 1 2 337.423 3.526 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3(C)CC3)n2)C1 ZINC000348451916 1138583026 /nfs/dbraw/zinc/58/30/26/1138583026.db2.gz HCUFZGBPCZYUGZ-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3(C)CC3)n2)C1 ZINC000348451916 1138583030 /nfs/dbraw/zinc/58/30/30/1138583030.db2.gz HCUFZGBPCZYUGZ-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264683603 1138603400 /nfs/dbraw/zinc/60/34/00/1138603400.db2.gz ANERPJZMVOSILH-OAHLLOKOSA-N 1 2 342.443 3.918 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C2CC2)no1 ZINC000132958899 1138613455 /nfs/dbraw/zinc/61/34/55/1138613455.db2.gz ASNYNBLFXMTBNZ-LBPRGKRZSA-N 1 2 331.416 3.547 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C2CC2)no1 ZINC000132958899 1138613457 /nfs/dbraw/zinc/61/34/57/1138613457.db2.gz ASNYNBLFXMTBNZ-LBPRGKRZSA-N 1 2 331.416 3.547 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000337614099 1138621757 /nfs/dbraw/zinc/62/17/57/1138621757.db2.gz CZUVUUJURJOXHZ-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000337628123 1138626136 /nfs/dbraw/zinc/62/61/36/1138626136.db2.gz LWANFJLZNRATAB-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000337628123 1138626138 /nfs/dbraw/zinc/62/61/38/1138626138.db2.gz LWANFJLZNRATAB-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1ccc(C)c(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000348463168 1138692481 /nfs/dbraw/zinc/69/24/81/1138692481.db2.gz HWRLUZPMUGTEEP-UHFFFAOYSA-N 1 2 346.434 3.688 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1F ZINC000135130648 1138727884 /nfs/dbraw/zinc/72/78/84/1138727884.db2.gz VJTPFSPWVCBHFY-OAHLLOKOSA-N 1 2 330.338 3.680 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1F ZINC000135130648 1138727886 /nfs/dbraw/zinc/72/78/86/1138727886.db2.gz VJTPFSPWVCBHFY-OAHLLOKOSA-N 1 2 330.338 3.680 20 0 EHADLO Cc1nc(NC(=O)CCn2cc[nH+]c2)sc1Cc1cccc(C)c1 ZINC000338055362 1138735249 /nfs/dbraw/zinc/73/52/49/1138735249.db2.gz OUCSDJQCSIAWKQ-UHFFFAOYSA-N 1 2 340.452 3.576 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cc3ccccn3c2)c1)[NH+]1CCOCC1 ZINC000265143728 1138743841 /nfs/dbraw/zinc/74/38/41/1138743841.db2.gz SOCVHYFPEULRTK-MRXNPFEDSA-N 1 2 349.434 3.585 20 0 EHADLO Cc1ccc(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000338114393 1138755643 /nfs/dbraw/zinc/75/56/43/1138755643.db2.gz ITGANFJROSIENX-UHFFFAOYSA-N 1 2 339.782 3.656 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H]3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000826584008 1138786433 /nfs/dbraw/zinc/78/64/33/1138786433.db2.gz CSTRZPVIQZBOQA-PMACEKPBSA-N 1 2 347.462 3.885 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000338205112 1138786824 /nfs/dbraw/zinc/78/68/24/1138786824.db2.gz QGOZYGQSLJGZRR-KRWDZBQOSA-N 1 2 327.472 3.609 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265281842 1138794621 /nfs/dbraw/zinc/79/46/21/1138794621.db2.gz RQZYRZZZFHLVJT-QAPCUYQASA-N 1 2 325.456 3.946 20 0 EHADLO CCCc1occc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338253460 1138802579 /nfs/dbraw/zinc/80/25/79/1138802579.db2.gz CMABLOBMKHVPIW-INIZCTEOSA-N 1 2 332.831 3.672 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccsc1 ZINC000338261560 1138804842 /nfs/dbraw/zinc/80/48/42/1138804842.db2.gz NQGFRFVPSMUGQB-MLGOLLRUSA-N 1 2 334.872 3.678 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccsc1 ZINC000338261558 1138804925 /nfs/dbraw/zinc/80/49/25/1138804925.db2.gz NQGFRFVPSMUGQB-BLLLJJGKSA-N 1 2 334.872 3.678 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1-c1ccccc1 ZINC000338288449 1138817090 /nfs/dbraw/zinc/81/70/90/1138817090.db2.gz ZTBQOPDHPAGWHB-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COc1cc(CNc2c[nH+]ccc2OC(C)(C)C)cc2c1OCO2 ZINC000338319576 1138831804 /nfs/dbraw/zinc/83/18/04/1138831804.db2.gz BRONKDNJQOJCCY-UHFFFAOYSA-N 1 2 330.384 3.608 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)[nH]1 ZINC000338332311 1138837875 /nfs/dbraw/zinc/83/78/75/1138837875.db2.gz JOFAHYNVXWALJE-OAHLLOKOSA-N 1 2 338.814 3.512 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)[nH]1 ZINC000338332311 1138837881 /nfs/dbraw/zinc/83/78/81/1138837881.db2.gz JOFAHYNVXWALJE-OAHLLOKOSA-N 1 2 338.814 3.512 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000137184236 1138838482 /nfs/dbraw/zinc/83/84/82/1138838482.db2.gz SFXINANAGKXDRC-UHFFFAOYSA-N 1 2 348.878 3.546 20 0 EHADLO COCc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000338393204 1138884231 /nfs/dbraw/zinc/88/42/31/1138884231.db2.gz PWZCMCQPXFINEX-UHFFFAOYSA-N 1 2 341.798 3.924 20 0 EHADLO CCc1ccccc1[C@H]1C[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000338467830 1138929904 /nfs/dbraw/zinc/92/99/04/1138929904.db2.gz ZCLSQVFHIGUUPI-RTBURBONSA-N 1 2 337.467 3.544 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccoc1C(=O)OC)CCC2 ZINC000152518350 1139095740 /nfs/dbraw/zinc/09/57/40/1139095740.db2.gz QDMWHWYMQNDAOQ-CYBMUJFWSA-N 1 2 334.441 3.595 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccoc1C(=O)OC)CCC2 ZINC000152518350 1139095742 /nfs/dbraw/zinc/09/57/42/1139095742.db2.gz QDMWHWYMQNDAOQ-CYBMUJFWSA-N 1 2 334.441 3.595 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000153590701 1139143472 /nfs/dbraw/zinc/14/34/72/1139143472.db2.gz BBFNYYBZCNOFSM-GJZGRUSLSA-N 1 2 346.500 3.515 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507320 1139223032 /nfs/dbraw/zinc/22/30/32/1139223032.db2.gz RXYLKPXSGFRFSA-IUODEOHRSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507320 1139223039 /nfs/dbraw/zinc/22/30/39/1139223039.db2.gz RXYLKPXSGFRFSA-IUODEOHRSA-N 1 2 349.887 3.638 20 0 EHADLO CC(NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)(C1CC1)C1CC1 ZINC000889543124 1139228362 /nfs/dbraw/zinc/22/83/62/1139228362.db2.gz RBWPSJRERMIXNH-QAQDUYKDSA-N 1 2 342.487 3.683 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H](CCF)C1 ZINC000889543225 1139228788 /nfs/dbraw/zinc/22/87/88/1139228788.db2.gz VSSCALFDEHOQDS-ULQDDVLXSA-N 1 2 348.466 3.586 20 0 EHADLO CCN(CCC1CC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889552735 1139231857 /nfs/dbraw/zinc/23/18/57/1139231857.db2.gz VJVMSDLWAXQQID-QAQDUYKDSA-N 1 2 330.476 3.636 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1(C2CCC2)CCC1 ZINC000890246991 1139329638 /nfs/dbraw/zinc/32/96/38/1139329638.db2.gz QWPDWOGXZQAFRW-GOSISDBHSA-N 1 2 338.455 3.646 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251406 1139330885 /nfs/dbraw/zinc/33/08/85/1139330885.db2.gz VUFNJKNZOODZFS-IBGZPJMESA-N 1 2 340.471 3.845 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259202 1139333481 /nfs/dbraw/zinc/33/34/81/1139333481.db2.gz RTPWAQLYITXEJQ-VQIMIIECSA-N 1 2 340.471 3.843 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nccs1 ZINC000174062933 1139397868 /nfs/dbraw/zinc/39/78/68/1139397868.db2.gz IIPRVDFEXAAKNA-WCQYABFASA-N 1 2 335.860 3.643 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000174113416 1139400087 /nfs/dbraw/zinc/40/00/87/1139400087.db2.gz YITQRZBWARVRQA-HNNXBMFYSA-N 1 2 329.444 3.972 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000174420256 1139418807 /nfs/dbraw/zinc/41/88/07/1139418807.db2.gz SNSKVHSZQHNPTN-NWDGAFQWSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000174420256 1139418809 /nfs/dbraw/zinc/41/88/09/1139418809.db2.gz SNSKVHSZQHNPTN-NWDGAFQWSA-N 1 2 325.250 3.569 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000175181761 1139469867 /nfs/dbraw/zinc/46/98/67/1139469867.db2.gz HXAALPPIZGVDLJ-ROUUACIJSA-N 1 2 342.487 3.546 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000175266747 1139477280 /nfs/dbraw/zinc/47/72/80/1139477280.db2.gz RGSSCTVODQFNGG-VHSXEESVSA-N 1 2 348.497 3.778 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000175617654 1139503724 /nfs/dbraw/zinc/50/37/24/1139503724.db2.gz FCRFHDQGPHHWCK-HZPDHXFCSA-N 1 2 342.439 3.758 20 0 EHADLO COc1c(C)ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000177587546 1139627619 /nfs/dbraw/zinc/62/76/19/1139627619.db2.gz PTXFTQSJNSFLCO-CXAGYDPISA-N 1 2 342.443 3.624 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000178234158 1139681078 /nfs/dbraw/zinc/68/10/78/1139681078.db2.gz STQWOOGMFCFXRC-HXUWFJFHSA-N 1 2 343.492 3.609 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000178234158 1139681083 /nfs/dbraw/zinc/68/10/83/1139681083.db2.gz STQWOOGMFCFXRC-HXUWFJFHSA-N 1 2 343.492 3.609 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccccc3OC)n2)cc1 ZINC000178711471 1139714117 /nfs/dbraw/zinc/71/41/17/1139714117.db2.gz RGAFYYZMJIHHDP-HNNXBMFYSA-N 1 2 337.423 3.740 20 0 EHADLO COCCC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000178908839 1139724686 /nfs/dbraw/zinc/72/46/86/1139724686.db2.gz JQPNUWHBLVFBHD-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178924201 1139725600 /nfs/dbraw/zinc/72/56/00/1139725600.db2.gz AWPDFRFQZOHJTM-IRXDYDNUSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1F ZINC000179933337 1139793341 /nfs/dbraw/zinc/79/33/41/1139793341.db2.gz FMYCIADFAHHJRI-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO CCCc1cnc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000180806060 1139864073 /nfs/dbraw/zinc/86/40/73/1139864073.db2.gz UYEUFRCCMVMKIT-UHFFFAOYSA-N 1 2 348.472 3.780 20 0 EHADLO CO[C@H](C)CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000181069293 1139883110 /nfs/dbraw/zinc/88/31/10/1139883110.db2.gz CWGSGMYIUZWYLL-CQSZACIVSA-N 1 2 327.428 3.640 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C(C)=O)cc2F)n1 ZINC000777367750 1139885317 /nfs/dbraw/zinc/88/53/17/1139885317.db2.gz UMWIJQVIOQSWBU-UHFFFAOYSA-N 1 2 349.431 3.579 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181178093 1139889662 /nfs/dbraw/zinc/88/96/62/1139889662.db2.gz LCPVVMGBKNKHQX-RDJZCZTQSA-N 1 2 329.444 3.670 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1C ZINC000181357557 1139901524 /nfs/dbraw/zinc/90/15/24/1139901524.db2.gz PZFZMQNDNQDGHH-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1C ZINC000181357557 1139901527 /nfs/dbraw/zinc/90/15/27/1139901527.db2.gz PZFZMQNDNQDGHH-KRWDZBQOSA-N 1 2 337.467 3.540 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cc(C)nc2Cl)c1C ZINC000181875689 1139938076 /nfs/dbraw/zinc/93/80/76/1139938076.db2.gz WTGSLVLGCIOLNG-UHFFFAOYSA-N 1 2 347.846 3.644 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000182444038 1139972790 /nfs/dbraw/zinc/97/27/90/1139972790.db2.gz UCYLUAQTHCIQOR-KBPBESRZSA-N 1 2 338.411 3.690 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1 ZINC000182470451 1139974638 /nfs/dbraw/zinc/97/46/38/1139974638.db2.gz RICMTIHVCNPCFM-PSHZPRKYSA-N 1 2 335.835 3.917 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847486 1139997171 /nfs/dbraw/zinc/99/71/71/1139997171.db2.gz MYTBTWYOLCBVFL-LBPRGKRZSA-N 1 2 344.406 3.758 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847486 1139997173 /nfs/dbraw/zinc/99/71/73/1139997173.db2.gz MYTBTWYOLCBVFL-LBPRGKRZSA-N 1 2 344.406 3.758 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1nccn1C ZINC000183058860 1140010005 /nfs/dbraw/zinc/01/00/05/1140010005.db2.gz RNLWREIKLUYDPS-LBPRGKRZSA-N 1 2 329.778 3.916 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000183112156 1140014183 /nfs/dbraw/zinc/01/41/83/1140014183.db2.gz HWVBZMSKJZOSHC-AWEZNQCLSA-N 1 2 346.450 3.713 20 0 EHADLO C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000183126731 1140015582 /nfs/dbraw/zinc/01/55/82/1140015582.db2.gz PYERHKVEDSZNCW-LTJFPGKXSA-N 1 2 328.437 3.598 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cnn1C ZINC000183429790 1140037726 /nfs/dbraw/zinc/03/77/26/1140037726.db2.gz XXZMFBGQDZHNKN-VXGBXAGGSA-N 1 2 343.406 3.638 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000184698914 1140115673 /nfs/dbraw/zinc/11/56/73/1140115673.db2.gz VYCZKPCZGFADJE-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000184698898 1140115729 /nfs/dbraw/zinc/11/57/29/1140115729.db2.gz VYCZKPCZGFADJE-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)cs1 ZINC000184691823 1140115749 /nfs/dbraw/zinc/11/57/49/1140115749.db2.gz WASOOZNNXBNDSV-OAHLLOKOSA-N 1 2 345.512 3.793 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC1CCCCC1 ZINC000184854971 1140122538 /nfs/dbraw/zinc/12/25/38/1140122538.db2.gz QJSPKZYWRMKENL-CABCVRRESA-N 1 2 341.455 3.830 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862886 1140123381 /nfs/dbraw/zinc/12/33/81/1140123381.db2.gz RXNVYYUURACCGM-CABCVRRESA-N 1 2 329.444 3.687 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184883707 1140123894 /nfs/dbraw/zinc/12/38/94/1140123894.db2.gz JLMPJGOQSAVJIX-OAGGEKHMSA-N 1 2 341.455 3.782 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185026461 1140132561 /nfs/dbraw/zinc/13/25/61/1140132561.db2.gz XXYQBSFGWDNTKV-CYBMUJFWSA-N 1 2 331.485 3.866 20 0 EHADLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000185227829 1140140657 /nfs/dbraw/zinc/14/06/57/1140140657.db2.gz HXLLAQHQVUPDSY-CQSZACIVSA-N 1 2 345.468 3.667 20 0 EHADLO Cc1cc(N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000185897831 1140175742 /nfs/dbraw/zinc/17/57/42/1140175742.db2.gz WTDYJYNYLOWTHP-GOSISDBHSA-N 1 2 337.402 3.737 20 0 EHADLO C[C@H]1CCC[C@H]1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185930491 1140178125 /nfs/dbraw/zinc/17/81/25/1140178125.db2.gz BNGUCRYAMZQEJJ-HOTGVXAUSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1C ZINC000186420140 1140203166 /nfs/dbraw/zinc/20/31/66/1140203166.db2.gz PELWHRIBMHHKMD-MRXNPFEDSA-N 1 2 336.439 3.851 20 0 EHADLO Cc1oc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cc2c1C ZINC000186459889 1140205238 /nfs/dbraw/zinc/20/52/38/1140205238.db2.gz YXMQXLFOVPXHSO-UHFFFAOYSA-N 1 2 326.400 3.800 20 0 EHADLO C[C@H]1CCCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000187104875 1140238895 /nfs/dbraw/zinc/23/88/95/1140238895.db2.gz DOSDSPJQTFCNOB-INIZCTEOSA-N 1 2 342.443 3.616 20 0 EHADLO CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104454 1140238999 /nfs/dbraw/zinc/23/89/99/1140238999.db2.gz PBBUHBWAUYHNRP-RDJZCZTQSA-N 1 2 342.443 3.614 20 0 EHADLO FC(F)(F)c1nn(CCc2ccc3c(c2)CCO3)c2cc[nH+]cc21 ZINC000187185134 1140243297 /nfs/dbraw/zinc/24/32/97/1140243297.db2.gz HSOJMSZDLKLFCP-UHFFFAOYSA-N 1 2 333.313 3.628 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000187445133 1140255640 /nfs/dbraw/zinc/25/56/40/1140255640.db2.gz BHCNPVGPWJETGM-KRWDZBQOSA-N 1 2 332.806 3.589 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000188780405 1140308456 /nfs/dbraw/zinc/30/84/56/1140308456.db2.gz MYEMWZZQOWHEME-IBGZPJMESA-N 1 2 329.419 3.540 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000189738241 1140361303 /nfs/dbraw/zinc/36/13/03/1140361303.db2.gz FZEDOIFWXBERJB-LJQANCHMSA-N 1 2 331.460 3.530 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000189738241 1140361310 /nfs/dbraw/zinc/36/13/10/1140361310.db2.gz FZEDOIFWXBERJB-LJQANCHMSA-N 1 2 331.460 3.530 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189801676 1140364451 /nfs/dbraw/zinc/36/44/51/1140364451.db2.gz FFFCTWSVGZFFDK-HUUCEWRRSA-N 1 2 343.475 3.989 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)nn1 ZINC000190945223 1140427172 /nfs/dbraw/zinc/42/71/72/1140427172.db2.gz HVJVBEYJTYJWKC-UHFFFAOYSA-N 1 2 349.276 3.575 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1nc(C2CC2)no1 ZINC000191044500 1140432715 /nfs/dbraw/zinc/43/27/15/1140432715.db2.gz CLARWURCYFVTIV-KRWDZBQOSA-N 1 2 343.475 3.674 20 0 EHADLO c1cn(-c2ccccc2)c(C[NH2+]Cc2ccccc2OCC2CC2)n1 ZINC000191159435 1140441290 /nfs/dbraw/zinc/44/12/90/1140441290.db2.gz SLPXERWCKMCVRE-UHFFFAOYSA-N 1 2 333.435 3.951 20 0 EHADLO CC(C)[C@](C)([NH2+]Cc1csnn1)c1ccc(Br)cc1 ZINC000191640518 1140476652 /nfs/dbraw/zinc/47/66/52/1140476652.db2.gz ROVFTHSWDYXBFH-AWEZNQCLSA-N 1 2 340.290 3.962 20 0 EHADLO c1cn(-c2ccc(CSc3nnc(C4CC4)n3C3CC3)cc2)c[nH+]1 ZINC000191727031 1140481527 /nfs/dbraw/zinc/48/15/27/1140481527.db2.gz SQUJFVLARHKXAA-UHFFFAOYSA-N 1 2 337.452 3.968 20 0 EHADLO CCc1c(NCc2c[nH+]cn2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000191727026 1140481863 /nfs/dbraw/zinc/48/18/63/1140481863.db2.gz UMCWKTDSMJGUFU-UHFFFAOYSA-N 1 2 349.360 3.799 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)cccc1Cl ZINC000192257307 1140514782 /nfs/dbraw/zinc/51/47/82/1140514782.db2.gz MNCYASYTVUOTHK-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCc1ccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000192257027 1140515386 /nfs/dbraw/zinc/51/53/86/1140515386.db2.gz MSAZJZYJUOEHLL-UHFFFAOYSA-N 1 2 327.472 3.950 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccoc1Cl ZINC000192324274 1140523259 /nfs/dbraw/zinc/52/32/59/1140523259.db2.gz TXCXOMTYQNHONS-UHFFFAOYSA-N 1 2 347.846 3.707 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@H](C)c3nc(C)cc(=O)[nH]3)c(C)c2c1 ZINC000192781029 1140550108 /nfs/dbraw/zinc/55/01/08/1140550108.db2.gz CKXHERUDDWFNHK-QWHCGFSZSA-N 1 2 341.411 3.966 20 0 EHADLO COc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000194422033 1140608890 /nfs/dbraw/zinc/60/88/90/1140608890.db2.gz XXRLLWASSKDNNO-WFASDCNBSA-N 1 2 348.834 3.660 20 0 EHADLO CC[N@H+](CCCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266607505 1140707499 /nfs/dbraw/zinc/70/74/99/1140707499.db2.gz YWSJSRIMWBTECP-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO CC[N@@H+](CCCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000266607505 1140707505 /nfs/dbraw/zinc/70/75/05/1140707505.db2.gz YWSJSRIMWBTECP-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635835 1140710949 /nfs/dbraw/zinc/71/09/49/1140710949.db2.gz RRWVPINFFJTIOW-PBHICJAKSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635835 1140710953 /nfs/dbraw/zinc/71/09/53/1140710953.db2.gz RRWVPINFFJTIOW-PBHICJAKSA-N 1 2 328.435 3.727 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266797290 1140724991 /nfs/dbraw/zinc/72/49/91/1140724991.db2.gz YIYXHFDNWGSIJY-OAHLLOKOSA-N 1 2 340.471 3.741 20 0 EHADLO O=C(Nc1cccc(F)c1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000266901601 1140735407 /nfs/dbraw/zinc/73/54/07/1140735407.db2.gz XLVJVPHKTFIZFJ-XFXZXTDPSA-N 1 2 331.218 3.795 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267354380 1140781520 /nfs/dbraw/zinc/78/15/20/1140781520.db2.gz FXDRYYSBNHFVJA-MRXNPFEDSA-N 1 2 325.456 3.656 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000267393941 1140786676 /nfs/dbraw/zinc/78/66/76/1140786676.db2.gz MXKAKDRSVIEWAE-VOMSXAGXSA-N 1 2 329.831 3.873 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cs1 ZINC000267663527 1140817213 /nfs/dbraw/zinc/81/72/13/1140817213.db2.gz XNEOIOBYXZAUHD-SNVBAGLBSA-N 1 2 325.503 3.894 20 0 EHADLO CCOC(=O)Nc1ccc(OC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268181593 1140898411 /nfs/dbraw/zinc/89/84/11/1140898411.db2.gz WHBBMUKQNHALFQ-UHFFFAOYSA-N 1 2 348.424 3.597 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000268400683 1140933437 /nfs/dbraw/zinc/93/34/37/1140933437.db2.gz UWHRFKUVQOQPJD-WMLDXEAASA-N 1 2 339.464 3.750 20 0 EHADLO CC(C)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000268965555 1141036717 /nfs/dbraw/zinc/03/67/17/1141036717.db2.gz KVNYYWJNNHUDQJ-KRWDZBQOSA-N 1 2 348.878 3.965 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)s1 ZINC000269280066 1141088453 /nfs/dbraw/zinc/08/84/53/1141088453.db2.gz KCEFXCJNMPPHOQ-AWEZNQCLSA-N 1 2 335.494 3.664 20 0 EHADLO CCc1ccccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269332605 1141094800 /nfs/dbraw/zinc/09/48/00/1141094800.db2.gz SJBXTEOZDPVOPF-MRXNPFEDSA-N 1 2 338.451 3.895 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269438696 1141108934 /nfs/dbraw/zinc/10/89/34/1141108934.db2.gz NBQQYDWYKKTRQQ-CYBMUJFWSA-N 1 2 340.814 3.631 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)cs1 ZINC000270026332 1141169693 /nfs/dbraw/zinc/16/96/93/1141169693.db2.gz AMZZFABDFLDPHT-ZDUSSCGKSA-N 1 2 336.505 3.709 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C1CC1)C1CC1 ZINC000270435817 1141223379 /nfs/dbraw/zinc/22/33/79/1141223379.db2.gz IYXNLNYYBVXBOS-UHFFFAOYSA-N 1 2 333.435 3.977 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270599538 1141242903 /nfs/dbraw/zinc/24/29/03/1141242903.db2.gz DPFSIKSVBYUYMO-KDOFPFPSSA-N 1 2 338.455 3.622 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000271165040 1141317815 /nfs/dbraw/zinc/31/78/15/1141317815.db2.gz BLZJPHPPCGWCSD-XMMPIXPASA-N 1 2 347.528 3.624 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000271165040 1141317822 /nfs/dbraw/zinc/31/78/22/1141317822.db2.gz BLZJPHPPCGWCSD-XMMPIXPASA-N 1 2 347.528 3.624 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247839 1141332641 /nfs/dbraw/zinc/33/26/41/1141332641.db2.gz CRMDLSMYLDTDBK-IFMALSPDSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247839 1141332647 /nfs/dbraw/zinc/33/26/47/1141332647.db2.gz CRMDLSMYLDTDBK-IFMALSPDSA-N 1 2 348.446 3.559 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(CC1CCC1)c1ccccc1 ZINC000271351196 1141350217 /nfs/dbraw/zinc/35/02/17/1141350217.db2.gz WHNOZRJOIUHZPD-UHFFFAOYSA-N 1 2 332.407 3.714 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)s1 ZINC000271525236 1141388317 /nfs/dbraw/zinc/38/83/17/1141388317.db2.gz VNSBWWSYBGVNMD-TVQRCGJNSA-N 1 2 326.412 3.676 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1nc(C2CCCCC2)no1 ZINC000271625576 1141407676 /nfs/dbraw/zinc/40/76/76/1141407676.db2.gz DTPZYOULPOLPCH-ZDUSSCGKSA-N 1 2 339.443 3.855 20 0 EHADLO c1cn(CCc2nc(-c3ccc(OC4CCCCC4)cc3)no2)c[nH+]1 ZINC000273856742 1141433962 /nfs/dbraw/zinc/43/39/62/1141433962.db2.gz LZQABHGOEVLREV-UHFFFAOYSA-N 1 2 338.411 3.887 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(Br)cc3F)ccc2[nH+]1 ZINC000339125231 1141503734 /nfs/dbraw/zinc/50/37/34/1141503734.db2.gz NSGWWVRTINJKEV-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000339162423 1141514937 /nfs/dbraw/zinc/51/49/37/1141514937.db2.gz CBFOWAXZYHBBCF-UHFFFAOYSA-N 1 2 325.456 3.950 20 0 EHADLO Cc1ccc([C@H](CNCc2cccc(O)c2Cl)[NH+]2CCCC2)o1 ZINC000339216974 1141530482 /nfs/dbraw/zinc/53/04/82/1141530482.db2.gz KIHSCDAEDXZXHR-HNNXBMFYSA-N 1 2 334.847 3.874 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000339229719 1141535261 /nfs/dbraw/zinc/53/52/61/1141535261.db2.gz IWVWZFYVIWEZHD-GFCCVEGCSA-N 1 2 349.276 3.917 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1=CCCC1 ZINC000348782037 1141578607 /nfs/dbraw/zinc/57/86/07/1141578607.db2.gz OACZDETTXVYITF-MRXNPFEDSA-N 1 2 336.838 3.670 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1=CCCC1 ZINC000348782037 1141578609 /nfs/dbraw/zinc/57/86/09/1141578609.db2.gz OACZDETTXVYITF-MRXNPFEDSA-N 1 2 336.838 3.670 20 0 EHADLO C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1(C)C ZINC001296172095 1141590799 /nfs/dbraw/zinc/59/07/99/1141590799.db2.gz YKRBRAUUHIHUEY-YESZJQIVSA-N 1 2 329.488 3.947 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](c2ccccc2)C1 ZINC000348881111 1141603086 /nfs/dbraw/zinc/60/30/86/1141603086.db2.gz PSLHIHSGDFTLAF-NRFANRHFSA-N 1 2 345.446 3.951 20 0 EHADLO Fc1cccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)cc21 ZINC000349077909 1141634146 /nfs/dbraw/zinc/63/41/46/1141634146.db2.gz QQSIYHZKKODXAO-ZDUSSCGKSA-N 1 2 339.418 3.682 20 0 EHADLO Fc1cccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)cc21 ZINC000349077909 1141634151 /nfs/dbraw/zinc/63/41/51/1141634151.db2.gz QQSIYHZKKODXAO-ZDUSSCGKSA-N 1 2 339.418 3.682 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2F)nc1C1CC1 ZINC000349144165 1141644804 /nfs/dbraw/zinc/64/48/04/1141644804.db2.gz CRRWKWMIVPSXBS-UHFFFAOYSA-N 1 2 348.805 3.828 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)cc1Br ZINC000038052532 202094534 /nfs/dbraw/zinc/09/45/34/202094534.db2.gz FQIFEZPWISEPHP-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1Br ZINC000038052532 202094538 /nfs/dbraw/zinc/09/45/38/202094538.db2.gz FQIFEZPWISEPHP-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO O=C(COc1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951543 201065330 /nfs/dbraw/zinc/06/53/30/201065330.db2.gz OMHYCWNYMGDGRR-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccnc2Cl)c1 ZINC000055910714 201135675 /nfs/dbraw/zinc/13/56/75/201135675.db2.gz VCHZMKPNXFGWMV-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccnc2Cl)c1 ZINC000055910714 201135679 /nfs/dbraw/zinc/13/56/79/201135679.db2.gz VCHZMKPNXFGWMV-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Clc1cccc(-c2nnc(C[N@@H+]3CCc4ccccc4C3)o2)c1 ZINC000020177741 212109705 /nfs/dbraw/zinc/10/97/05/212109705.db2.gz JECOBRJJRKGHOV-UHFFFAOYSA-N 1 2 325.799 3.948 20 0 EHADLO Clc1cccc(-c2nnc(C[N@H+]3CCc4ccccc4C3)o2)c1 ZINC000020177741 212109708 /nfs/dbraw/zinc/10/97/08/212109708.db2.gz JECOBRJJRKGHOV-UHFFFAOYSA-N 1 2 325.799 3.948 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000298520233 522416149 /nfs/dbraw/zinc/41/61/49/522416149.db2.gz UWIOQMVCYMDLGX-SNVBAGLBSA-N 1 2 325.311 3.518 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccccc3)cn2c1 ZINC000042468839 526249966 /nfs/dbraw/zinc/24/99/66/526249966.db2.gz HXUKEAJRYCRYFF-UHFFFAOYSA-N 1 2 339.464 3.535 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)n1 ZINC000282129142 564146121 /nfs/dbraw/zinc/14/61/21/564146121.db2.gz JZLGNUWLSQHKHA-AZUAARDMSA-N 1 2 343.471 3.561 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)n1 ZINC000282129142 564146122 /nfs/dbraw/zinc/14/61/22/564146122.db2.gz JZLGNUWLSQHKHA-AZUAARDMSA-N 1 2 343.471 3.561 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1Cl ZINC000820026954 599438776 /nfs/dbraw/zinc/43/87/76/599438776.db2.gz NISSSMUXZWNIHL-OAHLLOKOSA-N 1 2 331.807 3.600 20 0 EHADLO C[C@@H]([NH2+]Cc1cscc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626150 608136318 /nfs/dbraw/zinc/13/63/18/608136318.db2.gz MRXZAMNEDPGYTK-MRVPVSSYSA-N 1 2 337.811 3.572 20 0 EHADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1c(F)cccc1Cl ZINC000825322925 608547611 /nfs/dbraw/zinc/54/76/11/608547611.db2.gz LTVICMKBPIEMDI-UHFFFAOYSA-N 1 2 349.797 3.664 20 0 EHADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1c(F)cccc1Cl ZINC000825322925 608547612 /nfs/dbraw/zinc/54/76/12/608547612.db2.gz LTVICMKBPIEMDI-UHFFFAOYSA-N 1 2 349.797 3.664 20 0 EHADLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824656878 609161972 /nfs/dbraw/zinc/16/19/72/609161972.db2.gz NOZQLEQILXZVPJ-AWEZNQCLSA-N 1 2 334.427 3.640 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1[NH+](C)C ZINC000826270778 609350485 /nfs/dbraw/zinc/35/04/85/609350485.db2.gz OTPBTSABXWRNOB-LBPRGKRZSA-N 1 2 340.406 3.553 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536651024 1032064092 /nfs/dbraw/zinc/06/40/92/1032064092.db2.gz FOTGETCIPDQNSI-CVEARBPZSA-N 1 2 326.444 3.602 20 0 EHADLO CC1CC[NH+]([C@H](C[NH2+]C2CCC(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000263491553 962676423 /nfs/dbraw/zinc/67/64/23/962676423.db2.gz RKGLPLZXGDXGRX-SOAGJPPSSA-N 1 2 344.499 3.693 20 0 EHADLO CSCc1cnc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)s1 ZINC000339325321 1014217512 /nfs/dbraw/zinc/21/75/12/1014217512.db2.gz JBEAOQYLDKIREL-OAHLLOKOSA-N 1 2 347.509 3.594 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498830 975562678 /nfs/dbraw/zinc/56/26/78/975562678.db2.gz VOZOGUMLPJIZHS-QGZVFWFLSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498830 975562687 /nfs/dbraw/zinc/56/26/87/975562687.db2.gz VOZOGUMLPJIZHS-QGZVFWFLSA-N 1 2 341.455 3.504 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(CSC)s1)CCO2 ZINC000339357380 1014276658 /nfs/dbraw/zinc/27/66/58/1014276658.db2.gz KZSFZEJSUTYSJR-CQSZACIVSA-N 1 2 336.482 3.628 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@H]3c3nccs3)nc[nH+]2)C1 ZINC001167048866 1014349709 /nfs/dbraw/zinc/34/97/09/1014349709.db2.gz UCMKTBIMUPPVGM-KBPBESRZSA-N 1 2 329.473 3.511 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@H]3c3nccs3)[nH+]cn2)C1 ZINC001167048866 1014349723 /nfs/dbraw/zinc/34/97/23/1014349723.db2.gz UCMKTBIMUPPVGM-KBPBESRZSA-N 1 2 329.473 3.511 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000339402804 1014360635 /nfs/dbraw/zinc/36/06/35/1014360635.db2.gz CMCTYFHSLAWSDF-QGZVFWFLSA-N 1 2 329.419 3.695 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)c1nncn1C ZINC000459417352 1032091931 /nfs/dbraw/zinc/09/19/31/1032091931.db2.gz YSUVOWOMFUOQNL-OAHLLOKOSA-N 1 2 336.439 3.650 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000547630444 1014473846 /nfs/dbraw/zinc/47/38/46/1014473846.db2.gz YGHMPFACLSTSTJ-DYVFJYSZSA-N 1 2 346.862 3.548 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000536680661 1032096852 /nfs/dbraw/zinc/09/68/52/1032096852.db2.gz YYAAJSHCIWNUOY-QGZVFWFLSA-N 1 2 329.465 3.685 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000536680661 1032096867 /nfs/dbraw/zinc/09/68/67/1032096867.db2.gz YYAAJSHCIWNUOY-QGZVFWFLSA-N 1 2 329.465 3.685 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ncccc1Cl ZINC000339545806 1014784752 /nfs/dbraw/zinc/78/47/52/1014784752.db2.gz CZODBTUCWWXQAK-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC1(C)C ZINC000274748263 1014795210 /nfs/dbraw/zinc/79/52/10/1014795210.db2.gz URATUFHCCIZRAU-KRWDZBQOSA-N 1 2 330.472 3.592 20 0 EHADLO CC1(CC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000683186449 1014798001 /nfs/dbraw/zinc/79/80/01/1014798001.db2.gz OPSOUPXVDYLGEA-UHFFFAOYSA-N 1 2 340.389 3.540 20 0 EHADLO C[N@H+](Cc1ccc(Br)s1)Cc1cc(CO)ccc1F ZINC000528342610 1032104561 /nfs/dbraw/zinc/10/45/61/1032104561.db2.gz VOQXWLCLQHIAPL-UHFFFAOYSA-N 1 2 344.249 3.774 20 0 EHADLO C[N@@H+](Cc1ccc(Br)s1)Cc1cc(CO)ccc1F ZINC000528342610 1032104568 /nfs/dbraw/zinc/10/45/68/1032104568.db2.gz VOQXWLCLQHIAPL-UHFFFAOYSA-N 1 2 344.249 3.774 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)sc1C ZINC000154042641 1014909436 /nfs/dbraw/zinc/90/94/36/1014909436.db2.gz KIDCHQVSQKCCHW-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596117897 983450531 /nfs/dbraw/zinc/45/05/31/983450531.db2.gz FMZZTUQPBYMGLG-UHFFFAOYSA-N 1 2 349.862 3.709 20 0 EHADLO CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596117897 983450532 /nfs/dbraw/zinc/45/05/32/983450532.db2.gz FMZZTUQPBYMGLG-UHFFFAOYSA-N 1 2 349.862 3.709 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000634580396 1015007723 /nfs/dbraw/zinc/00/77/23/1015007723.db2.gz DNZJNPRPHIBQIK-SGTLLEGYSA-N 1 2 346.377 3.656 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H]3CCc4cc(F)ccc43)[nH]2)cc1 ZINC000538021992 1032109901 /nfs/dbraw/zinc/10/99/01/1032109901.db2.gz ZIWSMMSAIUTWOU-INIZCTEOSA-N 1 2 326.350 3.527 20 0 EHADLO Clc1scc(C[NH+]2CCC(Cn3cnnc3)CC2)c1Cl ZINC000651955014 1015114963 /nfs/dbraw/zinc/11/49/63/1015114963.db2.gz YASXERRJNVVOGA-UHFFFAOYSA-N 1 2 331.272 3.559 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCC=C(Br)C2)ccc1OC ZINC000799735707 1015125417 /nfs/dbraw/zinc/12/54/17/1015125417.db2.gz GZFAJPPLCRABIW-UHFFFAOYSA-N 1 2 340.261 3.716 20 0 EHADLO CCOCc1cc(C[N@H+]2CCC=C(Br)C2)ccc1OC ZINC000799735707 1015125422 /nfs/dbraw/zinc/12/54/22/1015125422.db2.gz GZFAJPPLCRABIW-UHFFFAOYSA-N 1 2 340.261 3.716 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)Cc2cnc(C)s2)cn1 ZINC000430240654 1015189693 /nfs/dbraw/zinc/18/96/93/1015189693.db2.gz DUKQYBWFDUJAJO-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)Cc2cnc(C)s2)cn1 ZINC000430240654 1015189697 /nfs/dbraw/zinc/18/96/97/1015189697.db2.gz DUKQYBWFDUJAJO-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO COc1ccc([C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)cc1F ZINC000624739782 1015227968 /nfs/dbraw/zinc/22/79/68/1015227968.db2.gz YQGVNTSHGPVNBE-OAHLLOKOSA-N 1 2 327.403 3.804 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000274800200 1015231541 /nfs/dbraw/zinc/23/15/41/1015231541.db2.gz QTNGCGHIERYASL-IRXDYDNUSA-N 1 2 345.487 3.734 20 0 EHADLO CCC1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000339613656 1015254961 /nfs/dbraw/zinc/25/49/61/1015254961.db2.gz VXWNQSZKMTXPDN-UHFFFAOYSA-N 1 2 344.503 3.697 20 0 EHADLO COCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC001125301816 1015322390 /nfs/dbraw/zinc/32/23/90/1015322390.db2.gz YCCHGVLCEKEIGI-UHFFFAOYSA-N 1 2 343.333 3.549 20 0 EHADLO CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001597762261 989193076 /nfs/dbraw/zinc/19/30/76/989193076.db2.gz ACRIKLNMTLGAMV-INIZCTEOSA-N 1 2 348.487 3.628 20 0 EHADLO CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001597762261 989193081 /nfs/dbraw/zinc/19/30/81/989193081.db2.gz ACRIKLNMTLGAMV-INIZCTEOSA-N 1 2 348.487 3.628 20 0 EHADLO CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001597762265 989193674 /nfs/dbraw/zinc/19/36/74/989193674.db2.gz ACRIKLNMTLGAMV-MRXNPFEDSA-N 1 2 348.487 3.628 20 0 EHADLO CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001597762265 989193680 /nfs/dbraw/zinc/19/36/80/989193680.db2.gz ACRIKLNMTLGAMV-MRXNPFEDSA-N 1 2 348.487 3.628 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2csc(-c3ccc(OC)cc3)n2)cn1 ZINC000154532201 1015513949 /nfs/dbraw/zinc/51/39/49/1015513949.db2.gz JGXUUCUUMLUAHY-CYBMUJFWSA-N 1 2 342.468 3.886 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cn1 ZINC000430265526 1015536293 /nfs/dbraw/zinc/53/62/93/1015536293.db2.gz VRAXSVKCWSXTNW-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cn1 ZINC000430265526 1015536304 /nfs/dbraw/zinc/53/63/04/1015536304.db2.gz VRAXSVKCWSXTNW-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000339697529 1015555853 /nfs/dbraw/zinc/55/58/53/1015555853.db2.gz KPGRKWULKOCOJW-GOSISDBHSA-N 1 2 343.496 3.864 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(C=Cc3ccc(C)o3)n2)c1 ZINC000339746211 1015642541 /nfs/dbraw/zinc/64/25/41/1015642541.db2.gz SNQJDFQGLFZTOJ-VOTSOKGWSA-N 1 2 342.424 3.881 20 0 EHADLO C[C@@H]1CCN(Cc2ncc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000182713266 1032122955 /nfs/dbraw/zinc/12/29/55/1032122955.db2.gz QPJCZXBYLIDKMV-ABAIWWIYSA-N 1 2 325.243 3.668 20 0 EHADLO Brc1ccccc1C[C@@H]1CCCC[N@@H+]1Cc1cnc[nH]1 ZINC000339800506 1015689930 /nfs/dbraw/zinc/68/99/30/1015689930.db2.gz HVWUYLRZUOLMPR-HNNXBMFYSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1ccccc1C[C@@H]1CCCC[N@H+]1Cc1cnc[nH]1 ZINC000339800506 1015689938 /nfs/dbraw/zinc/68/99/38/1015689938.db2.gz HVWUYLRZUOLMPR-HNNXBMFYSA-N 1 2 334.261 3.769 20 0 EHADLO CC[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1F ZINC000154676284 1015747639 /nfs/dbraw/zinc/74/76/39/1015747639.db2.gz QPYDWFMLJXZNAR-UHFFFAOYSA-N 1 2 342.208 3.696 20 0 EHADLO CC[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1F ZINC000154676284 1015747647 /nfs/dbraw/zinc/74/76/47/1015747647.db2.gz QPYDWFMLJXZNAR-UHFFFAOYSA-N 1 2 342.208 3.696 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000179942760 1015763377 /nfs/dbraw/zinc/76/33/77/1015763377.db2.gz GTTBWZGOHXQGAF-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000179942760 1015763382 /nfs/dbraw/zinc/76/33/82/1015763382.db2.gz GTTBWZGOHXQGAF-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)ccn1 ZINC000339865149 1015791022 /nfs/dbraw/zinc/79/10/22/1015791022.db2.gz IALJCPOJVRUDGX-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)ccn1 ZINC000339865149 1015791025 /nfs/dbraw/zinc/79/10/25/1015791025.db2.gz IALJCPOJVRUDGX-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000255029597 1015843530 /nfs/dbraw/zinc/84/35/30/1015843530.db2.gz HPQFCNDVTYAOEL-OBHLKRAMSA-N 1 2 343.492 3.976 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000255029597 1015843536 /nfs/dbraw/zinc/84/35/36/1015843536.db2.gz HPQFCNDVTYAOEL-OBHLKRAMSA-N 1 2 343.492 3.976 20 0 EHADLO CC(C)(C)c1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)no1 ZINC000584320511 1032129809 /nfs/dbraw/zinc/12/98/09/1032129809.db2.gz XQMZCTRWWJJDJR-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO CC(C)(C)c1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)no1 ZINC000584320511 1032129821 /nfs/dbraw/zinc/12/98/21/1032129821.db2.gz XQMZCTRWWJJDJR-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000024430530 1015858564 /nfs/dbraw/zinc/85/85/64/1015858564.db2.gz RVKBGJHRMVUOPS-UHFFFAOYSA-N 1 2 332.451 3.569 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000180243140 1015887376 /nfs/dbraw/zinc/88/73/76/1015887376.db2.gz AFOWEFMMQOUQRV-SFHVURJKSA-N 1 2 343.423 3.808 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000180243140 1015887390 /nfs/dbraw/zinc/88/73/90/1015887390.db2.gz AFOWEFMMQOUQRV-SFHVURJKSA-N 1 2 343.423 3.808 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000183113096 1032132862 /nfs/dbraw/zinc/13/28/62/1032132862.db2.gz BPLVOONMXRUEJF-GFCCVEGCSA-N 1 2 342.365 3.684 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001167106764 1016043996 /nfs/dbraw/zinc/04/39/96/1016043996.db2.gz IBQARDYGRWOAHN-JKSUJKDBSA-N 1 2 340.471 3.919 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC001167106764 1016044008 /nfs/dbraw/zinc/04/40/08/1016044008.db2.gz IBQARDYGRWOAHN-JKSUJKDBSA-N 1 2 340.471 3.919 20 0 EHADLO C/C(=C/C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000081318631 1016052613 /nfs/dbraw/zinc/05/26/13/1016052613.db2.gz AGXVMECXTDYXEM-DNCJFXNASA-N 1 2 345.446 3.924 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1nc(NC(C)C)c(OC)c[nH+]1 ZINC001167110237 1016058892 /nfs/dbraw/zinc/05/88/92/1016058892.db2.gz HVHUCGZMZIZPEL-CYBMUJFWSA-N 1 2 330.432 3.512 20 0 EHADLO COc1cc(CN(C)c2cc(NCC3CC3)[nH+]cn2)ccc1SC ZINC000340022861 1016134886 /nfs/dbraw/zinc/13/48/86/1016134886.db2.gz XGXYOMKCVRNABE-UHFFFAOYSA-N 1 2 344.484 3.665 20 0 EHADLO COc1cc(CN(C)c2cc(NCC3CC3)nc[nH+]2)ccc1SC ZINC000340022861 1016134893 /nfs/dbraw/zinc/13/48/93/1016134893.db2.gz XGXYOMKCVRNABE-UHFFFAOYSA-N 1 2 344.484 3.665 20 0 EHADLO Clc1cccc(-c2cccc(N3CCC(n4cc[nH+]c4)CC3)n2)n1 ZINC001167125668 1016205559 /nfs/dbraw/zinc/20/55/59/1016205559.db2.gz DCQBHCAYXNJKDD-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Clc1ccc2c(Cl)nnc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001167125569 1016206135 /nfs/dbraw/zinc/20/61/35/1016206135.db2.gz OMKPVKTWRGXGJJ-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000118724649 1016355444 /nfs/dbraw/zinc/35/54/44/1016355444.db2.gz HIDCYXPQOFFUOF-UHFFFAOYSA-N 1 2 331.847 3.631 20 0 EHADLO CC[N@H+](Cc1cc(C)c(O)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000340121528 1016360365 /nfs/dbraw/zinc/36/03/65/1016360365.db2.gz XCXCACHKMCNKNV-UHFFFAOYSA-N 1 2 337.423 3.680 20 0 EHADLO CC[N@@H+](Cc1cc(C)c(O)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000340121528 1016360375 /nfs/dbraw/zinc/36/03/75/1016360375.db2.gz XCXCACHKMCNKNV-UHFFFAOYSA-N 1 2 337.423 3.680 20 0 EHADLO CC(C)(C)OCc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000084337432 1016370115 /nfs/dbraw/zinc/37/01/15/1016370115.db2.gz ZUGHUQPNYZBIAL-UHFFFAOYSA-N 1 2 344.459 3.800 20 0 EHADLO Cc1cnc(C2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)s1 ZINC000683368616 1016382056 /nfs/dbraw/zinc/38/20/56/1016382056.db2.gz QKPRRTQLBRCBOF-UHFFFAOYSA-N 1 2 341.440 3.511 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCn2ccc3cc(Cl)ccc32)no1 ZINC000579889233 1016418146 /nfs/dbraw/zinc/41/81/46/1016418146.db2.gz LQKUTBLJROYZSS-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)c1cc2sc3ccccc3c2s1 ZINC000547805519 1016488478 /nfs/dbraw/zinc/48/84/78/1016488478.db2.gz OAOSPNYCQMJIBZ-UHFFFAOYSA-N 1 2 341.461 3.822 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(Br)cs1)CC(C)C ZINC001167199235 1016555571 /nfs/dbraw/zinc/55/55/71/1016555571.db2.gz HRPKLKNJRQKDLQ-UHFFFAOYSA-N 1 2 334.279 3.532 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(Br)cs1)CC(C)C ZINC001167199235 1016555584 /nfs/dbraw/zinc/55/55/84/1016555584.db2.gz HRPKLKNJRQKDLQ-UHFFFAOYSA-N 1 2 334.279 3.532 20 0 EHADLO CCCc1ccc(CCCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000648337563 1016665125 /nfs/dbraw/zinc/66/51/25/1016665125.db2.gz IRKLJBHNGBKPNY-LJQANCHMSA-N 1 2 339.483 3.711 20 0 EHADLO CCc1ccc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425185701 1016725336 /nfs/dbraw/zinc/72/53/36/1016725336.db2.gz HHSGAZGNCWOQMI-HXUWFJFHSA-N 1 2 347.462 3.853 20 0 EHADLO CC(C)CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425203782 1016733809 /nfs/dbraw/zinc/73/38/09/1016733809.db2.gz MDISUZWAWFWCFG-GOSISDBHSA-N 1 2 325.456 3.969 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+](C)[C@@H]2CCCc3ccccc32)c1=S ZINC000782926877 1016750041 /nfs/dbraw/zinc/75/00/41/1016750041.db2.gz PFWJCZUUHMMLSW-CYBMUJFWSA-N 1 2 338.427 3.856 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c1=S ZINC000782926877 1016750046 /nfs/dbraw/zinc/75/00/46/1016750046.db2.gz PFWJCZUUHMMLSW-CYBMUJFWSA-N 1 2 338.427 3.856 20 0 EHADLO CC(C)Oc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1F ZINC001209996218 1016846807 /nfs/dbraw/zinc/84/68/07/1016846807.db2.gz ZBINABLWCAKSCM-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CC(C)C(=O)Nc1cccc(OC(=O)c2sccc2C[NH+](C)C)c1 ZINC000756100102 1016860466 /nfs/dbraw/zinc/86/04/66/1016860466.db2.gz KGCDYEBRJLVXTF-UHFFFAOYSA-N 1 2 346.452 3.623 20 0 EHADLO c1ccc2nc(C[NH2+]Cc3cccnc3OC3CCCC3)cnc2c1 ZINC000589834456 1016888462 /nfs/dbraw/zinc/88/84/62/1016888462.db2.gz HEHXWEJOGFXJNZ-UHFFFAOYSA-N 1 2 334.423 3.636 20 0 EHADLO Cc1ccsc1C[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340334181 1016970307 /nfs/dbraw/zinc/97/03/07/1016970307.db2.gz NTEAFFRIEKBIAZ-UHFFFAOYSA-N 1 2 338.498 3.639 20 0 EHADLO Cc1ccsc1C[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340334181 1016970319 /nfs/dbraw/zinc/97/03/19/1016970319.db2.gz NTEAFFRIEKBIAZ-UHFFFAOYSA-N 1 2 338.498 3.639 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccccc3Cl)[nH+]c12 ZINC000579906041 1016971621 /nfs/dbraw/zinc/97/16/21/1016971621.db2.gz YQQREOIFPNPIOQ-CYBMUJFWSA-N 1 2 327.815 3.716 20 0 EHADLO Cc1ccc2c(C)cc(N3CC(=O)N(Cc4ccccc4)C3)[nH+]c2c1 ZINC000460961827 1032156726 /nfs/dbraw/zinc/15/67/26/1032156726.db2.gz VWTWYOWQCQVBMN-UHFFFAOYSA-N 1 2 331.419 3.658 20 0 EHADLO C(C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)OCC1CCCC1 ZINC000459473539 1032186852 /nfs/dbraw/zinc/18/68/52/1032186852.db2.gz DEFUTZAKQRSJMD-DLBZAZTESA-N 1 2 349.475 3.655 20 0 EHADLO C(C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)OCC1CCCC1 ZINC000459473539 1032186860 /nfs/dbraw/zinc/18/68/60/1032186860.db2.gz DEFUTZAKQRSJMD-DLBZAZTESA-N 1 2 349.475 3.655 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(Cl)c1 ZINC000536707948 1032187405 /nfs/dbraw/zinc/18/74/05/1032187405.db2.gz QYVAELIVLKLJNW-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c(Cl)c1 ZINC000536707948 1032187418 /nfs/dbraw/zinc/18/74/18/1032187418.db2.gz QYVAELIVLKLJNW-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459473506 1032188243 /nfs/dbraw/zinc/18/82/43/1032188243.db2.gz DAGFMWNDTQXGIR-AWEZNQCLSA-N 1 2 335.904 3.718 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)ccc1Br)C1CC1 ZINC000183306630 1032189943 /nfs/dbraw/zinc/18/99/43/1032189943.db2.gz OHOPMGLSHNRQNQ-CQSZACIVSA-N 1 2 338.224 3.563 20 0 EHADLO CC1=C(C)C[C@](C)(c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)CC1 ZINC000904741393 1032224500 /nfs/dbraw/zinc/22/45/00/1032224500.db2.gz JNPWABLSKWMHQG-SCLBCKFNSA-N 1 2 335.448 3.579 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000184022790 1032224562 /nfs/dbraw/zinc/22/45/62/1032224562.db2.gz LBEYHPRSKJRAPG-KRWDZBQOSA-N 1 2 336.357 3.716 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000184022790 1032224569 /nfs/dbraw/zinc/22/45/69/1032224569.db2.gz LBEYHPRSKJRAPG-KRWDZBQOSA-N 1 2 336.357 3.716 20 0 EHADLO COc1ccc(CNc2[nH+]c(C)nc3[nH]ccc32)cc1Br ZINC000080985721 1032239488 /nfs/dbraw/zinc/23/94/88/1032239488.db2.gz NXZNWMROMQDFKC-UHFFFAOYSA-N 1 2 347.216 3.650 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000459523342 1032243041 /nfs/dbraw/zinc/24/30/41/1032243041.db2.gz IXYYWUZDVGQCCP-APPDUMDISA-N 1 2 331.485 3.581 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000459523342 1032243050 /nfs/dbraw/zinc/24/30/50/1032243050.db2.gz IXYYWUZDVGQCCP-APPDUMDISA-N 1 2 331.485 3.581 20 0 EHADLO FC(F)c1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000183946582 1032245767 /nfs/dbraw/zinc/24/57/67/1032245767.db2.gz ROCQQXTYYYWSPV-UHFFFAOYSA-N 1 2 340.311 3.642 20 0 EHADLO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000184217277 1032273928 /nfs/dbraw/zinc/27/39/28/1032273928.db2.gz KUXJELHEKDDNIT-GVDBMIGSSA-N 1 2 331.504 3.664 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2ccc(F)cc2F)c2ccc(F)cc2)cn1 ZINC000184585167 1032298834 /nfs/dbraw/zinc/29/88/34/1032298834.db2.gz VBHSMMIHQLVEHU-GOSISDBHSA-N 1 2 331.341 3.717 20 0 EHADLO O=C(C[N@@H+]1CCC12CCC2)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000081545784 1032327850 /nfs/dbraw/zinc/32/78/50/1032327850.db2.gz JCUSBPDYHXAYPM-UHFFFAOYSA-N 1 2 331.416 3.516 20 0 EHADLO O=C(C[N@H+]1CCC12CCC2)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000081545784 1032327858 /nfs/dbraw/zinc/32/78/58/1032327858.db2.gz JCUSBPDYHXAYPM-UHFFFAOYSA-N 1 2 331.416 3.516 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CC3CC(F)(F)C3)n2)CC1 ZINC000449215053 1032332546 /nfs/dbraw/zinc/33/25/46/1032332546.db2.gz ZLKCQOJZHKUMKC-UHFFFAOYSA-N 1 2 343.443 3.749 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000536843374 1032335839 /nfs/dbraw/zinc/33/58/39/1032335839.db2.gz DYEYHGQZLQZOJL-HZPDHXFCSA-N 1 2 336.439 3.996 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000584397724 1032382587 /nfs/dbraw/zinc/38/25/87/1032382587.db2.gz RGQFKLWQZLGMJS-JQHSSLGASA-N 1 2 326.444 3.627 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000584397725 1032382931 /nfs/dbraw/zinc/38/29/31/1032382931.db2.gz RGQFKLWQZLGMJS-KBAYOESNSA-N 1 2 326.444 3.627 20 0 EHADLO CCn1c(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)nc2c1cccc2F ZINC000459634771 1032383871 /nfs/dbraw/zinc/38/38/71/1032383871.db2.gz RXOPINJBAOUYII-NSHDSACASA-N 1 2 344.459 3.991 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3cccs3)s2)[nH]1 ZINC000459669337 1032398363 /nfs/dbraw/zinc/39/83/63/1032398363.db2.gz FSEPOQWXWKHWFO-UHFFFAOYSA-N 1 2 333.486 3.577 20 0 EHADLO Cc1ncc(C[NH2+]Cc2cccc(Br)c2OC(F)F)o1 ZINC000459674260 1032403425 /nfs/dbraw/zinc/40/34/25/1032403425.db2.gz KRYUAHHGMHVJJX-UHFFFAOYSA-N 1 2 347.159 3.637 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccn(C)n1 ZINC000459758083 1032450621 /nfs/dbraw/zinc/45/06/21/1032450621.db2.gz QNJOKZJLAFASNN-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000086992317 1032477024 /nfs/dbraw/zinc/47/70/24/1032477024.db2.gz JZOQSYLEABSYFK-RDTXWAMCSA-N 1 2 344.434 3.641 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000528594941 1032477852 /nfs/dbraw/zinc/47/78/52/1032477852.db2.gz SLDBASJNAGVQJG-SFHVURJKSA-N 1 2 325.431 3.959 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000528594941 1032477854 /nfs/dbraw/zinc/47/78/54/1032477854.db2.gz SLDBASJNAGVQJG-SFHVURJKSA-N 1 2 325.431 3.959 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000537029235 1032492993 /nfs/dbraw/zinc/49/29/93/1032492993.db2.gz MKJNGZWMIWMPDY-GJZGRUSLSA-N 1 2 346.421 3.671 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000088631409 1032507353 /nfs/dbraw/zinc/50/73/53/1032507353.db2.gz JIGGYZQDILVQIY-MRXNPFEDSA-N 1 2 332.492 3.905 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)cc1 ZINC000537104367 1032513940 /nfs/dbraw/zinc/51/39/40/1032513940.db2.gz WDLRCWOYVCLAOS-CYBMUJFWSA-N 1 2 349.500 3.956 20 0 EHADLO O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000089393076 1032527789 /nfs/dbraw/zinc/52/77/89/1032527789.db2.gz NINDSLNFENQMNA-FQEVSTJZSA-N 1 2 349.409 3.878 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccsc2Cl)C[C@@H]1c1ccccc1 ZINC000449423427 1032536479 /nfs/dbraw/zinc/53/64/79/1032536479.db2.gz OENAQZFYWHDRRU-GDBMZVCRSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccsc2Cl)C[C@@H]1c1ccccc1 ZINC000449423427 1032536484 /nfs/dbraw/zinc/53/64/84/1032536484.db2.gz OENAQZFYWHDRRU-GDBMZVCRSA-N 1 2 325.836 3.702 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969628 1032549902 /nfs/dbraw/zinc/54/99/02/1032549902.db2.gz COGKNEFTSCFPLS-UHFFFAOYSA-N 1 2 346.374 3.601 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nc(-c2cccnc2)no1 ZINC000528647939 1032553006 /nfs/dbraw/zinc/55/30/06/1032553006.db2.gz FBFHOPKTUCTLGD-CXAGYDPISA-N 1 2 335.411 3.719 20 0 EHADLO CC1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCCC1 ZINC000537351223 1032651979 /nfs/dbraw/zinc/65/19/79/1032651979.db2.gz FWJXAUMSLNYGLC-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000606373687 1032658088 /nfs/dbraw/zinc/65/80/88/1032658088.db2.gz OTUNSZXQQLXQQM-BLIJAFNYSA-N 1 2 327.453 3.736 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000606373687 1032658101 /nfs/dbraw/zinc/65/81/01/1032658101.db2.gz OTUNSZXQQLXQQM-BLIJAFNYSA-N 1 2 327.453 3.736 20 0 EHADLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000172417297 1032667954 /nfs/dbraw/zinc/66/79/54/1032667954.db2.gz LCKHPZRBAYHTBD-UHFFFAOYSA-N 1 2 337.398 3.605 20 0 EHADLO COc1cc2ccccc2cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000597770142 1032668255 /nfs/dbraw/zinc/66/82/55/1032668255.db2.gz MRVAUDIJPKMKOC-UHFFFAOYSA-N 1 2 349.434 3.866 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000606439252 1032685316 /nfs/dbraw/zinc/68/53/16/1032685316.db2.gz MYAKDCQHYXQIEN-CYBMUJFWSA-N 1 2 335.473 3.670 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000606439252 1032685322 /nfs/dbraw/zinc/68/53/22/1032685322.db2.gz MYAKDCQHYXQIEN-CYBMUJFWSA-N 1 2 335.473 3.670 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000683519088 1017255360 /nfs/dbraw/zinc/25/53/60/1017255360.db2.gz ARDVVIUZLHHDJU-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000683519088 1017255368 /nfs/dbraw/zinc/25/53/68/1017255368.db2.gz ARDVVIUZLHHDJU-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO CC(C)[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000549139992 1017320847 /nfs/dbraw/zinc/32/08/47/1017320847.db2.gz OTOPWHQCYOOPQJ-LJQANCHMSA-N 1 2 327.472 3.774 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1Cc2cccc(Cl)c2C1 ZINC000377091765 1017328412 /nfs/dbraw/zinc/32/84/12/1017328412.db2.gz LYXAUAXMSDVTNK-UHFFFAOYSA-N 1 2 337.810 3.741 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606448817 1032692049 /nfs/dbraw/zinc/69/20/49/1032692049.db2.gz HIMZBBJKNXFTAU-HNNXBMFYSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606448817 1032692059 /nfs/dbraw/zinc/69/20/59/1032692059.db2.gz HIMZBBJKNXFTAU-HNNXBMFYSA-N 1 2 330.447 3.752 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000890936660 1017378720 /nfs/dbraw/zinc/37/87/20/1017378720.db2.gz QFZQRCCYCJHZOW-INIZCTEOSA-N 1 2 329.444 3.648 20 0 EHADLO Clc1cc(Cl)cc(-c2noc(NCCCn3cc[nH+]c3)n2)c1 ZINC000091424697 1032696158 /nfs/dbraw/zinc/69/61/58/1032696158.db2.gz CQAHURFWGCMGSZ-UHFFFAOYSA-N 1 2 338.198 3.742 20 0 EHADLO CCn1cc(C[N@H+](Cc2cnc([C@H]3CCCO3)s2)C(C)C)cn1 ZINC000651959831 1017387983 /nfs/dbraw/zinc/38/79/83/1017387983.db2.gz GOPHXZHFASAOFD-MRXNPFEDSA-N 1 2 334.489 3.622 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C(C)C)cn1 ZINC000651959831 1017387998 /nfs/dbraw/zinc/38/79/98/1017387998.db2.gz GOPHXZHFASAOFD-MRXNPFEDSA-N 1 2 334.489 3.622 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000606451885 1032696691 /nfs/dbraw/zinc/69/66/91/1032696691.db2.gz MLRXFYIRFBCDGB-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000606451885 1032696710 /nfs/dbraw/zinc/69/67/10/1032696710.db2.gz MLRXFYIRFBCDGB-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000613644828 1017391897 /nfs/dbraw/zinc/39/18/97/1017391897.db2.gz NYXFIEIDHMUEEQ-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000613644828 1017391909 /nfs/dbraw/zinc/39/19/09/1017391909.db2.gz NYXFIEIDHMUEEQ-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450713 1032694581 /nfs/dbraw/zinc/69/45/81/1032694581.db2.gz OSTJBPRLQRXALT-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450713 1032694588 /nfs/dbraw/zinc/69/45/88/1032694588.db2.gz OSTJBPRLQRXALT-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO Cc1nc(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)cs1 ZINC000655716708 1017453990 /nfs/dbraw/zinc/45/39/90/1017453990.db2.gz YCIBLPJONSIDAB-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000547953354 1017582744 /nfs/dbraw/zinc/58/27/44/1017582744.db2.gz OYALYBVWVKYKIJ-WBVHZDCISA-N 1 2 346.862 3.548 20 0 EHADLO CCCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173222145 1017588952 /nfs/dbraw/zinc/58/89/52/1017588952.db2.gz OIWNBVBWCICTBC-NXEZZACHSA-N 1 2 337.411 3.507 20 0 EHADLO c1ccc([C@@H]2CCCC[C@@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)cc1 ZINC000655793654 1017620026 /nfs/dbraw/zinc/62/00/26/1017620026.db2.gz ANRLQSZBWDFQSQ-KZNAEPCWSA-N 1 2 340.471 3.862 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000020544196 1017625015 /nfs/dbraw/zinc/62/50/15/1017625015.db2.gz ZDONYTZOEIBVDA-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCC2)cc1 ZINC000655795208 1017627497 /nfs/dbraw/zinc/62/74/97/1017627497.db2.gz ZTVQEQIPGLWHII-FUHWJXTLSA-N 1 2 326.444 3.596 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000655795420 1017628066 /nfs/dbraw/zinc/62/80/66/1017628066.db2.gz BKUFNVDORMQMTL-QZTJIDSGSA-N 1 2 340.471 3.947 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000655795422 1017628162 /nfs/dbraw/zinc/62/81/62/1017628162.db2.gz BKUFNVDORMQMTL-ZWKOTPCHSA-N 1 2 340.471 3.947 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795474 1017628517 /nfs/dbraw/zinc/62/85/17/1017628517.db2.gz CHIWRRZYSMEECJ-GJZGRUSLSA-N 1 2 334.851 3.941 20 0 EHADLO c1ccc([C@@H](CC2CCC2)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655794866 1017631035 /nfs/dbraw/zinc/63/10/35/1017631035.db2.gz UBKFMCZYEISCNO-SJORKVTESA-N 1 2 326.444 3.677 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000655797178 1017635644 /nfs/dbraw/zinc/63/56/44/1017635644.db2.gz MIWXXBIEOUJQSH-ZWNOBZJWSA-N 1 2 340.349 3.526 20 0 EHADLO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655799491 1017640133 /nfs/dbraw/zinc/64/01/33/1017640133.db2.gz GTFTYLVYEPKNSE-OYDALLEOSA-N 1 2 344.503 3.741 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000579948601 1017658802 /nfs/dbraw/zinc/65/88/02/1017658802.db2.gz OUEHVKRXFJIKHD-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000579948601 1017658809 /nfs/dbraw/zinc/65/88/09/1017658809.db2.gz OUEHVKRXFJIKHD-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)C[C@H](O)c1cccc(Br)c1 ZINC000852171489 1017707548 /nfs/dbraw/zinc/70/75/48/1017707548.db2.gz HBEABIGAEZIJJC-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)C[C@H](O)c1cccc(Br)c1 ZINC000852171489 1017707562 /nfs/dbraw/zinc/70/75/62/1017707562.db2.gz HBEABIGAEZIJJC-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000340438363 1017806042 /nfs/dbraw/zinc/80/60/42/1017806042.db2.gz CXYLVLORDNKDBN-SFHVURJKSA-N 1 2 332.394 3.664 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000356499248 1017832412 /nfs/dbraw/zinc/83/24/12/1017832412.db2.gz BQFDTXJPDWEWHA-UHFFFAOYSA-N 1 2 349.312 3.629 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cnn(C(F)(F)F)c2)cc[nH+]1 ZINC001210357272 1017861840 /nfs/dbraw/zinc/86/18/40/1017861840.db2.gz FBQBGJDLEHYRLB-UHFFFAOYSA-N 1 2 343.309 3.845 20 0 EHADLO CCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000275648237 1017895234 /nfs/dbraw/zinc/89/52/34/1017895234.db2.gz UDGUYPPKXNCBJG-YOEHRIQHSA-N 1 2 343.475 3.882 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1c(F)cccc1F ZINC000579983048 1017977775 /nfs/dbraw/zinc/97/77/75/1017977775.db2.gz CPZSKNZMQNKMGK-UHFFFAOYSA-N 1 2 330.378 3.783 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1nnc2ccccn21 ZINC000072953491 1017992819 /nfs/dbraw/zinc/99/28/19/1017992819.db2.gz OKYVCGPCRJHIJZ-SNVBAGLBSA-N 1 2 338.383 3.629 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000834392718 1017994611 /nfs/dbraw/zinc/99/46/11/1017994611.db2.gz NSDKFBYOXQDUDI-GFCCVEGCSA-N 1 2 325.733 3.787 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000528763469 1032736724 /nfs/dbraw/zinc/73/67/24/1032736724.db2.gz BYZQUJZFMCDDNH-HNNXBMFYSA-N 1 2 348.393 3.932 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000528763469 1032736738 /nfs/dbraw/zinc/73/67/38/1032736738.db2.gz BYZQUJZFMCDDNH-HNNXBMFYSA-N 1 2 348.393 3.932 20 0 EHADLO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000377585121 1018016629 /nfs/dbraw/zinc/01/66/29/1018016629.db2.gz TZEQOLQOSUAWCL-ZIAGYGMSSA-N 1 2 335.325 3.823 20 0 EHADLO Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374457058 1018044692 /nfs/dbraw/zinc/04/46/92/1018044692.db2.gz BWPIUHHBZFTNQD-TZZQJPOUSA-N 1 2 349.478 3.947 20 0 EHADLO C=Cn1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000683696705 1018053446 /nfs/dbraw/zinc/05/34/46/1018053446.db2.gz GJHIGKMIODLFIV-PHIMTYICSA-N 1 2 327.272 3.546 20 0 EHADLO C=Cn1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000683696705 1018053459 /nfs/dbraw/zinc/05/34/59/1018053459.db2.gz GJHIGKMIODLFIV-PHIMTYICSA-N 1 2 327.272 3.546 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377645488 1018114745 /nfs/dbraw/zinc/11/47/45/1018114745.db2.gz SYZFCCLCRWWLCE-CQSZACIVSA-N 1 2 328.416 3.608 20 0 EHADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962121 1032747998 /nfs/dbraw/zinc/74/79/98/1032747998.db2.gz XYZHTLOTSSHVTK-KXBFYZLASA-N 1 2 344.528 3.579 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(=O)c2ccccc12 ZINC000066796041 1018167873 /nfs/dbraw/zinc/16/78/73/1018167873.db2.gz QNAWZSHZJNXBFA-LJQANCHMSA-N 1 2 347.462 3.932 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c(=O)c2ccccc12 ZINC000066796041 1018167882 /nfs/dbraw/zinc/16/78/82/1018167882.db2.gz QNAWZSHZJNXBFA-LJQANCHMSA-N 1 2 347.462 3.932 20 0 EHADLO CCCCc1noc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377684281 1018186241 /nfs/dbraw/zinc/18/62/41/1018186241.db2.gz WHGKUTICANWVDE-QANKJYHBSA-N 1 2 346.450 3.647 20 0 EHADLO CCCCc1noc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377684281 1018186247 /nfs/dbraw/zinc/18/62/47/1018186247.db2.gz WHGKUTICANWVDE-QANKJYHBSA-N 1 2 346.450 3.647 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cccnc2C(F)(F)F)o1 ZINC000528439042 1018239089 /nfs/dbraw/zinc/23/90/89/1018239089.db2.gz FQKLSBJEFPPYMN-ZDUSSCGKSA-N 1 2 328.334 3.733 20 0 EHADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962121 1032748003 /nfs/dbraw/zinc/74/80/03/1032748003.db2.gz XYZHTLOTSSHVTK-KXBFYZLASA-N 1 2 344.528 3.579 20 0 EHADLO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC000089336070 1018288902 /nfs/dbraw/zinc/28/89/02/1018288902.db2.gz ACBPBMQYRNZDRF-LBPRGKRZSA-N 1 2 340.254 3.718 20 0 EHADLO c1nc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)nn1-c1ccccc1 ZINC000340537632 1018323616 /nfs/dbraw/zinc/32/36/16/1018323616.db2.gz VRTFANMSSLUCEG-LJQANCHMSA-N 1 2 343.434 3.916 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000685310707 1032757298 /nfs/dbraw/zinc/75/72/98/1032757298.db2.gz ZSBJFQKNBMLFRM-INMHGKMJSA-N 1 2 343.858 3.931 20 0 EHADLO CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125407442 1018345249 /nfs/dbraw/zinc/34/52/49/1018345249.db2.gz GPWGYSZREMAPHZ-QUCCMNQESA-N 1 2 325.456 3.764 20 0 EHADLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(Cl)c(C)c2Cl)C1 ZINC001207460229 1018369811 /nfs/dbraw/zinc/36/98/11/1018369811.db2.gz RMDJLPYXHDQICQ-JTQLQIEISA-N 1 2 330.255 3.933 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377790056 1018375905 /nfs/dbraw/zinc/37/59/05/1018375905.db2.gz WLMNHCKVHNSNJR-CABCVRRESA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377790056 1018375914 /nfs/dbraw/zinc/37/59/14/1018375914.db2.gz WLMNHCKVHNSNJR-CABCVRRESA-N 1 2 326.362 3.634 20 0 EHADLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(Cl)c(C)c2Cl)C1 ZINC001207460230 1018383344 /nfs/dbraw/zinc/38/33/44/1018383344.db2.gz RMDJLPYXHDQICQ-SNVBAGLBSA-N 1 2 330.255 3.933 20 0 EHADLO O=C(NCc1cccc(Cl)c1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000606582560 1032767616 /nfs/dbraw/zinc/76/76/16/1032767616.db2.gz URQZQJRWOKCJSZ-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000606581139 1032764843 /nfs/dbraw/zinc/76/48/43/1032764843.db2.gz RRCBBCDZLOEXLA-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCSc2c(F)cccc21 ZINC000606580421 1032765486 /nfs/dbraw/zinc/76/54/86/1032765486.db2.gz ODOCJIUUILZHFH-AWEZNQCLSA-N 1 2 342.399 3.832 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)nnn1-c1ccc(F)cc1 ZINC000165498041 1018479734 /nfs/dbraw/zinc/47/97/34/1018479734.db2.gz LBSXBNHPKOPQQU-NSHDSACASA-N 1 2 345.809 3.614 20 0 EHADLO CCn1cc(C[NH2+]Cc2ccc(C)cc2O[C@@H](C)CC(C)C)nn1 ZINC000893110627 1018529199 /nfs/dbraw/zinc/52/91/99/1018529199.db2.gz NWSLCQQXAQKEHA-INIZCTEOSA-N 1 2 330.476 3.710 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000255079697 1018551534 /nfs/dbraw/zinc/55/15/34/1018551534.db2.gz XRDQCLXVOGJKQA-ARJAWSKDSA-N 1 2 345.446 3.960 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000606583962 1032771583 /nfs/dbraw/zinc/77/15/83/1032771583.db2.gz VOSZETCPRYMJCY-HNNXBMFYSA-N 1 2 338.386 3.570 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)nc2ccc(Cl)cc12 ZINC000278821964 1018584447 /nfs/dbraw/zinc/58/44/47/1018584447.db2.gz PTIZGHZLXUTMBS-SECBINFHSA-N 1 2 345.752 3.763 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)nc2ccc(Cl)cc12 ZINC000278821964 1018584459 /nfs/dbraw/zinc/58/44/59/1018584459.db2.gz PTIZGHZLXUTMBS-SECBINFHSA-N 1 2 345.752 3.763 20 0 EHADLO CCOC(=O)c1ccc2ccc(Nc3cc(C)[nH+]c(OC)c3)cc2n1 ZINC001210781017 1018676663 /nfs/dbraw/zinc/67/66/63/1018676663.db2.gz VJIWICSVUIPGJF-UHFFFAOYSA-N 1 2 337.379 3.867 20 0 EHADLO COc1cc(Nc2ccc(OC3CCOCC3)c(F)c2)cc(C)[nH+]1 ZINC001210781033 1018677066 /nfs/dbraw/zinc/67/70/66/1018677066.db2.gz VNRUOXLAJGQJNA-UHFFFAOYSA-N 1 2 332.375 3.839 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000067218994 1018730678 /nfs/dbraw/zinc/73/06/78/1018730678.db2.gz DLAAVRDKKSZNFP-UHFFFAOYSA-N 1 2 337.876 3.822 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000052356773 1018802540 /nfs/dbraw/zinc/80/25/40/1018802540.db2.gz ZZINGRORZOJZIO-MRXNPFEDSA-N 1 2 331.828 3.504 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000052488168 1018823808 /nfs/dbraw/zinc/82/38/08/1018823808.db2.gz DHEZDHJHHGPVSR-UHFFFAOYSA-N 1 2 348.237 3.839 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000580271043 1018907521 /nfs/dbraw/zinc/90/75/21/1018907521.db2.gz LHHLRLRHPMBAKX-VBQJREDUSA-N 1 2 346.862 3.890 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000119272879 1032795130 /nfs/dbraw/zinc/79/51/30/1032795130.db2.gz JWNJKUARAIPCDP-MRXNPFEDSA-N 1 2 333.435 3.668 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1cscc1Br)c1ccccc1F ZINC000576404269 1018938470 /nfs/dbraw/zinc/93/84/70/1018938470.db2.gz GJHIQKZSIUPAKP-YMTOWFKASA-N 1 2 344.249 3.861 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052456037 1018958119 /nfs/dbraw/zinc/95/81/19/1018958119.db2.gz IXXYSWWIYACLIF-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052456037 1018958132 /nfs/dbraw/zinc/95/81/32/1018958132.db2.gz IXXYSWWIYACLIF-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO CCOc1nn(C[N@@H+]2CCSC3(CCCCC3)C2)c(=S)s1 ZINC000175926341 1018997635 /nfs/dbraw/zinc/99/76/35/1018997635.db2.gz JITSFENIBCNHSE-UHFFFAOYSA-N 1 2 345.559 3.782 20 0 EHADLO CCOc1nn(C[N@H+]2CCSC3(CCCCC3)C2)c(=S)s1 ZINC000175926341 1018997645 /nfs/dbraw/zinc/99/76/45/1018997645.db2.gz JITSFENIBCNHSE-UHFFFAOYSA-N 1 2 345.559 3.782 20 0 EHADLO Cc1cc(N(CCCO)Cc2cccc(Cl)c2)nc(C2CC2)[nH+]1 ZINC000433520339 1019039965 /nfs/dbraw/zinc/03/99/65/1019039965.db2.gz ZTADGJQYHUOEGL-UHFFFAOYSA-N 1 2 331.847 3.705 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642659 1019055703 /nfs/dbraw/zinc/05/57/03/1019055703.db2.gz NGPPULBUATXQMD-MRXNPFEDSA-N 1 2 325.456 3.792 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000119291773 1032806428 /nfs/dbraw/zinc/80/64/28/1032806428.db2.gz UEGQGQVYVWDFMB-HOTGVXAUSA-N 1 2 343.446 3.534 20 0 EHADLO C[N@@H+]1CC[C@H](Nc2nc(C3CC3)ns2)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693622 1032814713 /nfs/dbraw/zinc/81/47/13/1032814713.db2.gz HRIIZHPTDJMEOS-KBPBESRZSA-N 1 2 336.411 3.551 20 0 EHADLO C[N@H+]1CC[C@H](Nc2nc(C3CC3)ns2)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693622 1032814725 /nfs/dbraw/zinc/81/47/25/1032814725.db2.gz HRIIZHPTDJMEOS-KBPBESRZSA-N 1 2 336.411 3.551 20 0 EHADLO CCc1ccc(C[N@H+](C)Cn2c(-c3ccccn3)csc2=O)cc1 ZINC000729265056 1019254307 /nfs/dbraw/zinc/25/43/07/1019254307.db2.gz RAICNMZXWAMDRX-UHFFFAOYSA-N 1 2 339.464 3.624 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cn2c(-c3ccccn3)csc2=O)cc1 ZINC000729265056 1019254321 /nfs/dbraw/zinc/25/43/21/1019254321.db2.gz RAICNMZXWAMDRX-UHFFFAOYSA-N 1 2 339.464 3.624 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000052796830 1019263365 /nfs/dbraw/zinc/26/33/65/1019263365.db2.gz IACFRMJUNAKLBX-UHFFFAOYSA-N 1 2 348.830 3.770 20 0 EHADLO O=C(C1CC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890400 1019312159 /nfs/dbraw/zinc/31/21/59/1019312159.db2.gz JTRZBNZLSYZPHJ-UHFFFAOYSA-N 1 2 335.810 3.505 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000340687087 1019331107 /nfs/dbraw/zinc/33/11/07/1019331107.db2.gz KMTDYZBNMLRVNK-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000340687087 1019331123 /nfs/dbraw/zinc/33/11/23/1019331123.db2.gz KMTDYZBNMLRVNK-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2nccn21 ZINC000449573214 1032832424 /nfs/dbraw/zinc/83/24/24/1032832424.db2.gz PUTLHYVUFIKHKW-MLGOLLRUSA-N 1 2 327.819 3.518 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449573796 1032827753 /nfs/dbraw/zinc/82/77/53/1032827753.db2.gz SDVVBDCPOXTNPB-PXAZEXFGSA-N 1 2 341.846 3.826 20 0 EHADLO CC1(c2cc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)no2)CCCC1 ZINC000683948627 1019441010 /nfs/dbraw/zinc/44/10/10/1019441010.db2.gz NCRRPQOLQGKGGN-CQSZACIVSA-N 1 2 343.431 3.572 20 0 EHADLO CCOc1ccc([C@H](COC)[NH2+]Cc2cc(O)ccc2Cl)cc1 ZINC000625402224 1019453691 /nfs/dbraw/zinc/45/36/91/1019453691.db2.gz WCVPGWVHUHKMOK-SFHVURJKSA-N 1 2 335.831 3.922 20 0 EHADLO C[N@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000430008308 1019455818 /nfs/dbraw/zinc/45/58/18/1019455818.db2.gz PIKUYQFWAGXZLZ-UHFFFAOYSA-N 1 2 326.831 3.612 20 0 EHADLO C[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000430008308 1019455827 /nfs/dbraw/zinc/45/58/27/1019455827.db2.gz PIKUYQFWAGXZLZ-UHFFFAOYSA-N 1 2 326.831 3.612 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C(F)F)c1 ZINC000171529790 1019486041 /nfs/dbraw/zinc/48/60/41/1019486041.db2.gz BCFFAUNXGKDLJF-UHFFFAOYSA-N 1 2 331.366 3.549 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3ccccc3F)CC2)o1 ZINC000513372718 1019593442 /nfs/dbraw/zinc/59/34/42/1019593442.db2.gz VCQOPULEIXHQJG-UHFFFAOYSA-N 1 2 331.435 3.824 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3ccccc3F)CC2)o1 ZINC000513372718 1019593453 /nfs/dbraw/zinc/59/34/53/1019593453.db2.gz VCQOPULEIXHQJG-UHFFFAOYSA-N 1 2 331.435 3.824 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(-c3cccnc3)cc2)[nH+]1 ZINC000433764610 1019593657 /nfs/dbraw/zinc/59/36/57/1019593657.db2.gz FAUJJHVBKCEXKD-ZDUSSCGKSA-N 1 2 329.407 3.923 20 0 EHADLO Fc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OC(F)F ZINC000580543102 1019596027 /nfs/dbraw/zinc/59/60/27/1019596027.db2.gz MUIKZPRRDMZOPF-DOTOQJQBSA-N 1 2 327.346 3.571 20 0 EHADLO Fc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OC(F)F ZINC000580543102 1019596039 /nfs/dbraw/zinc/59/60/39/1019596039.db2.gz MUIKZPRRDMZOPF-DOTOQJQBSA-N 1 2 327.346 3.571 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000897583984 1032841362 /nfs/dbraw/zinc/84/13/62/1032841362.db2.gz XUOHAVQOBMYHHI-GOSISDBHSA-N 1 2 325.456 3.539 20 0 EHADLO Brc1ccncc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001211222492 1019706342 /nfs/dbraw/zinc/70/63/42/1019706342.db2.gz SITKHPXMFGNQEK-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2C)cs1 ZINC000580611046 1019741592 /nfs/dbraw/zinc/74/15/92/1019741592.db2.gz RUDNKRLSNIOJAL-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)cs1 ZINC000580611046 1019741610 /nfs/dbraw/zinc/74/16/10/1019741610.db2.gz RUDNKRLSNIOJAL-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO Fc1ccc([C@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000449584280 1032851323 /nfs/dbraw/zinc/85/13/23/1032851323.db2.gz CMCJUCMHRZFZRW-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO COCCOc1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000430032283 1019778446 /nfs/dbraw/zinc/77/84/46/1019778446.db2.gz FTFKIPZNRMVPJR-UHFFFAOYSA-N 1 2 343.320 3.558 20 0 EHADLO Cc1cc(F)c(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(F)c1 ZINC000644900538 1019783487 /nfs/dbraw/zinc/78/34/87/1019783487.db2.gz LHZIWWZIPADXCX-UHFFFAOYSA-N 1 2 344.405 3.797 20 0 EHADLO Cc1cc(F)c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(F)c1 ZINC000644900538 1019783503 /nfs/dbraw/zinc/78/35/03/1019783503.db2.gz LHZIWWZIPADXCX-UHFFFAOYSA-N 1 2 344.405 3.797 20 0 EHADLO CSCC1(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000593295248 1032853580 /nfs/dbraw/zinc/85/35/80/1032853580.db2.gz SRYBZQLZIITNLN-UHFFFAOYSA-N 1 2 340.452 3.667 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC(c2ccccc2)C1 ZINC000728303932 1019804768 /nfs/dbraw/zinc/80/47/68/1019804768.db2.gz MXWMCKWMCNYRDZ-UHFFFAOYSA-N 1 2 346.434 3.618 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCCCCNc1cccc[nH+]1 ZINC000255673774 1019817994 /nfs/dbraw/zinc/81/79/94/1019817994.db2.gz HXMFFFHCCUJWFG-CLFYSBASSA-N 1 2 327.403 3.633 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000684025387 1019851321 /nfs/dbraw/zinc/85/13/21/1019851321.db2.gz FBAMICCVKNLETA-UHFFFAOYSA-N 1 2 344.455 3.866 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000255714432 1019906791 /nfs/dbraw/zinc/90/67/91/1019906791.db2.gz ZKLUZWOUYRGXCN-UTQLBYGMSA-N 1 2 329.831 3.659 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C ZINC000050447842 1019930383 /nfs/dbraw/zinc/93/03/83/1019930383.db2.gz BPOSBNHKGIGXPQ-JKSUJKDBSA-N 1 2 344.842 3.780 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)SCc2ccccc2)c1C ZINC000050448037 1019931819 /nfs/dbraw/zinc/93/18/19/1019931819.db2.gz OXBNRWMBWXJRJL-HNNXBMFYSA-N 1 2 344.480 3.645 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000175961788 1019932074 /nfs/dbraw/zinc/93/20/74/1019932074.db2.gz SPPSBWUTOJLGLK-OXJNMPFZSA-N 1 2 346.434 3.775 20 0 EHADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000580753416 1019981942 /nfs/dbraw/zinc/98/19/42/1019981942.db2.gz OLGLNOBEVMWAFP-LSDHHAIUSA-N 1 2 338.860 3.643 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000345129845 1019984097 /nfs/dbraw/zinc/98/40/97/1019984097.db2.gz QVCWPZBZAYTPEW-HNNXBMFYSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000345129845 1019984105 /nfs/dbraw/zinc/98/41/05/1019984105.db2.gz QVCWPZBZAYTPEW-HNNXBMFYSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccc(F)c(Cl)c3)CC2)on1 ZINC000345230845 1020077485 /nfs/dbraw/zinc/07/74/85/1020077485.db2.gz GSVATSDJUXEEOJ-CYBMUJFWSA-N 1 2 337.826 3.654 20 0 EHADLO Cc1cn2cc(NC(=O)c3oc(-c4ccccc4)nc3C)ccc2[nH+]1 ZINC000345245355 1020094041 /nfs/dbraw/zinc/09/40/41/1020094041.db2.gz HKDVQORQFGCLCE-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2Br)OCO3)[C@H]1C ZINC000345247346 1020096218 /nfs/dbraw/zinc/09/62/18/1020096218.db2.gz SAEDWEHSWBCVCR-UWVGGRQHSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2Br)OCO3)[C@H]1C ZINC000345247346 1020096230 /nfs/dbraw/zinc/09/62/30/1020096230.db2.gz SAEDWEHSWBCVCR-UWVGGRQHSA-N 1 2 344.274 3.504 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000255881992 1020203396 /nfs/dbraw/zinc/20/33/96/1020203396.db2.gz KAISTIYLGFOCJF-PLNGDYQASA-N 1 2 335.451 3.710 20 0 EHADLO CC1(C)CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345411372 1020228143 /nfs/dbraw/zinc/22/81/43/1020228143.db2.gz JDBNKAZUKTWNGO-INIZCTEOSA-N 1 2 329.488 3.752 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345453401 1020266900 /nfs/dbraw/zinc/26/69/00/1020266900.db2.gz SPSYCTLZGYLSKK-DJIMGWMZSA-N 1 2 342.826 3.518 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cnc(C)cn2)C3)cs1 ZINC000093259445 1032889623 /nfs/dbraw/zinc/88/96/23/1032889623.db2.gz KUGIGLMYLWLBKY-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cnc(C)cn2)C3)cs1 ZINC000093259445 1032889634 /nfs/dbraw/zinc/88/96/34/1032889634.db2.gz KUGIGLMYLWLBKY-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)sc1C ZINC000280339873 1020321363 /nfs/dbraw/zinc/32/13/63/1020321363.db2.gz HRVKAURFJMYSRD-OAHLLOKOSA-N 1 2 330.453 3.884 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2)sc1C ZINC000280339873 1020321376 /nfs/dbraw/zinc/32/13/76/1020321376.db2.gz HRVKAURFJMYSRD-OAHLLOKOSA-N 1 2 330.453 3.884 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000048216076 1020335817 /nfs/dbraw/zinc/33/58/17/1020335817.db2.gz XXQMACGNUNCTGK-UHFFFAOYSA-N 1 2 332.394 3.961 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000048216076 1020335824 /nfs/dbraw/zinc/33/58/24/1020335824.db2.gz XXQMACGNUNCTGK-UHFFFAOYSA-N 1 2 332.394 3.961 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000292149271 1020380143 /nfs/dbraw/zinc/38/01/43/1020380143.db2.gz YRHRUJAETSLDDP-SFHVURJKSA-N 1 2 340.471 3.764 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000345640537 1020410199 /nfs/dbraw/zinc/41/01/99/1020410199.db2.gz JUEMZUNQOGMYTL-UHFFFAOYSA-N 1 2 339.370 3.508 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)NCCCCNc1cccc[nH+]1 ZINC000255267616 1020425436 /nfs/dbraw/zinc/42/54/36/1020425436.db2.gz VFKWAPCLAKYLAM-CLFYSBASSA-N 1 2 335.860 3.818 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CCO2)cc1 ZINC000656413257 1020465841 /nfs/dbraw/zinc/46/58/41/1020465841.db2.gz MYZILLXUUKPEDB-IBGZPJMESA-N 1 2 328.843 3.797 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CCO2)cc1 ZINC000656413257 1020465845 /nfs/dbraw/zinc/46/58/45/1020465845.db2.gz MYZILLXUUKPEDB-IBGZPJMESA-N 1 2 328.843 3.797 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2c[nH]cc2-c2ccccc2)c1C ZINC000050770590 1020480787 /nfs/dbraw/zinc/48/07/87/1020480787.db2.gz WHJPMTVCKVFJNF-UHFFFAOYSA-N 1 2 335.407 3.632 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000933099833 1020505210 /nfs/dbraw/zinc/50/52/10/1020505210.db2.gz HDIMHWLZENDURP-ZDUSSCGKSA-N 1 2 334.370 3.769 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340881957 1020532074 /nfs/dbraw/zinc/53/20/74/1020532074.db2.gz VTNVATGEHCHGPR-CRAIPNDOSA-N 1 2 349.434 3.818 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000090721474 1020541137 /nfs/dbraw/zinc/54/11/37/1020541137.db2.gz FSWUMPLKKDZRKF-ZDUSSCGKSA-N 1 2 349.837 3.562 20 0 EHADLO CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510377832 1020634103 /nfs/dbraw/zinc/63/41/03/1020634103.db2.gz MIKYQESLJPKDLF-QZTJIDSGSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@@H](CCO)c3ccccc3F)nc2c1 ZINC000625506653 1020639027 /nfs/dbraw/zinc/63/90/27/1020639027.db2.gz ANSDUNWRQNZLRJ-HNNXBMFYSA-N 1 2 330.428 3.957 20 0 EHADLO C[C@H]1CC(C)(C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414411278 1020659733 /nfs/dbraw/zinc/65/97/33/1020659733.db2.gz JCCWYXOCKUUUPB-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cccc(-c4ccoc4)c3)[nH+]c12 ZINC000089821738 1020671038 /nfs/dbraw/zinc/67/10/38/1020671038.db2.gz ZVSHJQLTNUERTL-UHFFFAOYSA-N 1 2 345.402 3.875 20 0 EHADLO CCn1cc(C(=O)NCc2c[nH+]c(C)cc2C)c(-c2ccccc2)n1 ZINC000891371843 1020740593 /nfs/dbraw/zinc/74/05/93/1020740593.db2.gz YFBKNCXQPBFKJB-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCOc3c(Br)cccc3C2)O1 ZINC000684210011 1020752115 /nfs/dbraw/zinc/75/21/15/1020752115.db2.gz QLBRPPOMEVBQKC-CYBMUJFWSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCOc3c(Br)cccc3C2)O1 ZINC000684210011 1020752122 /nfs/dbraw/zinc/75/21/22/1020752122.db2.gz QLBRPPOMEVBQKC-CYBMUJFWSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCOc3c(Br)cccc3C2)O1 ZINC000684210012 1020752654 /nfs/dbraw/zinc/75/26/54/1020752654.db2.gz QLBRPPOMEVBQKC-ZDUSSCGKSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCOc3c(Br)cccc3C2)O1 ZINC000684210012 1020752661 /nfs/dbraw/zinc/75/26/61/1020752661.db2.gz QLBRPPOMEVBQKC-ZDUSSCGKSA-N 1 2 340.261 3.601 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1)C(F)(F)F ZINC000639666169 1020781397 /nfs/dbraw/zinc/78/13/97/1020781397.db2.gz QADPQBPJVDVWCI-KRTXAFLBSA-N 1 2 346.151 3.878 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1)C(F)(F)F ZINC000639666169 1020781404 /nfs/dbraw/zinc/78/14/04/1020781404.db2.gz QADPQBPJVDVWCI-KRTXAFLBSA-N 1 2 346.151 3.878 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000581418648 1020855794 /nfs/dbraw/zinc/85/57/94/1020855794.db2.gz JWRRCRNVXCNDFR-OAHLLOKOSA-N 1 2 343.452 3.797 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cn(C)nc3C3CCC3)ccc21 ZINC000581416300 1020856334 /nfs/dbraw/zinc/85/63/34/1020856334.db2.gz CRUNRTLCKYJCNE-UHFFFAOYSA-N 1 2 349.438 3.554 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000276294708 1021004792 /nfs/dbraw/zinc/00/47/92/1021004792.db2.gz MKQASODGNSYOBJ-ZIAGYGMSSA-N 1 2 329.448 3.599 20 0 EHADLO COc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc2cccnc21 ZINC000341176847 1021047918 /nfs/dbraw/zinc/04/79/18/1021047918.db2.gz VUWYHBAQBFICBK-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO FC[C@H]1CCCN1c1cc(N2CCC[C@H]2CF)c2ccncc2[nH+]1 ZINC000292683517 1021072594 /nfs/dbraw/zinc/07/25/94/1021072594.db2.gz DWYGSYRDWGNZSV-UONOGXRCSA-N 1 2 332.398 3.506 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC(c2nc(C)no2)CC1 ZINC000276350900 1021077826 /nfs/dbraw/zinc/07/78/26/1021077826.db2.gz UKUDJJUSHLPGFQ-UHFFFAOYSA-N 1 2 338.411 3.627 20 0 EHADLO COc1ccccc1C(C)(C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001125516712 1021103408 /nfs/dbraw/zinc/10/34/08/1021103408.db2.gz MUPWKCXCMZHYBI-UHFFFAOYSA-N 1 2 326.440 3.723 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@]2(CC2(F)F)C1 ZINC000593519679 1032954578 /nfs/dbraw/zinc/95/45/78/1032954578.db2.gz AQQVOLLLWUOZKP-GOSISDBHSA-N 1 2 346.377 3.955 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)/C(F)=C\C1CCCCC1 ZINC001125519237 1021106908 /nfs/dbraw/zinc/10/69/08/1021106908.db2.gz ZTAWDZBBMHTCDT-XMHGGMMESA-N 1 2 346.446 3.891 20 0 EHADLO C[C@@H](NC(=O)c1ccn(C)c1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000341218311 1021116278 /nfs/dbraw/zinc/11/62/78/1021116278.db2.gz XDHZLGVPHGGOSA-OAHLLOKOSA-N 1 2 348.450 3.969 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2C[NH+]2CCOCC2)n1)C(C)(C)C ZINC000685315274 1032968627 /nfs/dbraw/zinc/96/86/27/1032968627.db2.gz GGUBALKJZBOWAI-AWEZNQCLSA-N 1 2 329.444 3.718 20 0 EHADLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(O)c1C ZINC000436804879 1021251758 /nfs/dbraw/zinc/25/17/58/1021251758.db2.gz BOVYGYFKSSHJFO-UHFFFAOYSA-N 1 2 341.455 3.538 20 0 EHADLO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000516310593 1021288486 /nfs/dbraw/zinc/28/84/86/1021288486.db2.gz LAGPQQNHYRZFJI-RCCFBDPRSA-N 1 2 349.434 3.575 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270133373 1021289108 /nfs/dbraw/zinc/28/91/08/1021289108.db2.gz SNQBOUOVAYEREO-CQSZACIVSA-N 1 2 334.426 3.832 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270133373 1021289113 /nfs/dbraw/zinc/28/91/13/1021289113.db2.gz SNQBOUOVAYEREO-CQSZACIVSA-N 1 2 334.426 3.832 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270133372 1021290166 /nfs/dbraw/zinc/29/01/66/1021290166.db2.gz SNQBOUOVAYEREO-AWEZNQCLSA-N 1 2 334.426 3.832 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270133372 1021290170 /nfs/dbraw/zinc/29/01/70/1021290170.db2.gz SNQBOUOVAYEREO-AWEZNQCLSA-N 1 2 334.426 3.832 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000656770147 1021310544 /nfs/dbraw/zinc/31/05/44/1021310544.db2.gz PTXGVRVKFACAAQ-UHFFFAOYSA-N 1 2 325.460 3.685 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](Cc1cnc(N(C)C)nc1)C1CC1 ZINC000506537006 1021311015 /nfs/dbraw/zinc/31/10/15/1021311015.db2.gz FZGAUUZPNGGFHA-CYBMUJFWSA-N 1 2 330.863 3.922 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cnc(N(C)C)nc1)C1CC1 ZINC000506537006 1021311030 /nfs/dbraw/zinc/31/10/30/1021311030.db2.gz FZGAUUZPNGGFHA-CYBMUJFWSA-N 1 2 330.863 3.922 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+]([C@H](C)c1ccc(OC(F)(F)F)cc1)C2 ZINC000518554870 1021313307 /nfs/dbraw/zinc/31/33/07/1021313307.db2.gz CTCMWXNKBBNESY-LLVKDONJSA-N 1 2 337.345 3.803 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+]([C@H](C)c1ccc(OC(F)(F)F)cc1)C2 ZINC000518554870 1021313321 /nfs/dbraw/zinc/31/33/21/1021313321.db2.gz CTCMWXNKBBNESY-LLVKDONJSA-N 1 2 337.345 3.803 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cnn4c3CCC4)[nH+]c2)c1 ZINC000656780688 1021333069 /nfs/dbraw/zinc/33/30/69/1021333069.db2.gz JNODTKPYHSSNAL-UHFFFAOYSA-N 1 2 335.411 3.589 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516393922 1021386825 /nfs/dbraw/zinc/38/68/25/1021386825.db2.gz IEZKIUHURLWNAG-HOCLYGCPSA-N 1 2 329.419 3.844 20 0 EHADLO C[NH+](C)Cc1cc(-c2noc(-c3ccc(Cl)cc3O)n2)ccc1F ZINC000436933749 1021395948 /nfs/dbraw/zinc/39/59/48/1021395948.db2.gz DFQQTENPFNQSPP-UHFFFAOYSA-N 1 2 347.777 3.963 20 0 EHADLO CCn1ncc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1-c1ccccc1 ZINC000427473132 1021417907 /nfs/dbraw/zinc/41/79/07/1021417907.db2.gz JFKIDSHDMCAKEX-UHFFFAOYSA-N 1 2 345.406 3.778 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345999832 1021492639 /nfs/dbraw/zinc/49/26/39/1021492639.db2.gz YPRNNVDRXYBVRH-NVXWUHKLSA-N 1 2 343.496 3.653 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccccc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000425692778 1021496172 /nfs/dbraw/zinc/49/61/72/1021496172.db2.gz OJRQMZFXNVHVEJ-WFASDCNBSA-N 1 2 334.370 3.936 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000518752394 1021497274 /nfs/dbraw/zinc/49/72/74/1021497274.db2.gz WAAUJDYFQFRZRB-AEFFLSMTSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1cc(C[NH2+]Cc2nccc(C(F)F)n2)ccc1Br ZINC000288463193 1021500827 /nfs/dbraw/zinc/50/08/27/1021500827.db2.gz OHNNWUHTHOQHSN-UHFFFAOYSA-N 1 2 342.187 3.775 20 0 EHADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)no1 ZINC000581694964 1021535815 /nfs/dbraw/zinc/53/58/15/1021535815.db2.gz OJFAHXYDQQSKLF-WCQYABFASA-N 1 2 328.441 3.928 20 0 EHADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)no1 ZINC000581694964 1021535831 /nfs/dbraw/zinc/53/58/31/1021535831.db2.gz OJFAHXYDQQSKLF-WCQYABFASA-N 1 2 328.441 3.928 20 0 EHADLO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000684391729 1021549436 /nfs/dbraw/zinc/54/94/36/1021549436.db2.gz HUECNGFQZZJLOH-BZUAXINKSA-N 1 2 335.835 3.668 20 0 EHADLO CCNc1cc(CNc2cc(C(F)F)nc(SC)n2)cc[nH+]1 ZINC000894871990 1021552715 /nfs/dbraw/zinc/55/27/15/1021552715.db2.gz HWYXEEWFXBZVIF-UHFFFAOYSA-N 1 2 325.388 3.575 20 0 EHADLO Cc1nc(COc2ccc(NCc3c[nH+]c4ccc(C)cn34)cc2)no1 ZINC000157904381 1021583737 /nfs/dbraw/zinc/58/37/37/1021583737.db2.gz KSFXSQUMNDAKLJ-UHFFFAOYSA-N 1 2 349.394 3.525 20 0 EHADLO CC[C@H](F)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000440523006 1021584508 /nfs/dbraw/zinc/58/45/08/1021584508.db2.gz XPCCONDRRZJPJF-CABZTGNLSA-N 1 2 342.212 3.898 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437122030 1021586265 /nfs/dbraw/zinc/58/62/65/1021586265.db2.gz GTNDGLKZMLHFEF-LJQANCHMSA-N 1 2 325.456 3.850 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437122030 1021586270 /nfs/dbraw/zinc/58/62/70/1021586270.db2.gz GTNDGLKZMLHFEF-LJQANCHMSA-N 1 2 325.456 3.850 20 0 EHADLO C[C@H]1CC/C(=C/c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000440529997 1021590133 /nfs/dbraw/zinc/59/01/33/1021590133.db2.gz XTHQCIYBSYETCG-WSTOHFRZSA-N 1 2 339.439 3.772 20 0 EHADLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C2 ZINC000729479981 1021623268 /nfs/dbraw/zinc/62/32/68/1021623268.db2.gz LRAMHAQDLOXRQO-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C2 ZINC000729479981 1021623276 /nfs/dbraw/zinc/62/32/76/1021623276.db2.gz LRAMHAQDLOXRQO-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439683063 1021640014 /nfs/dbraw/zinc/64/00/14/1021640014.db2.gz FRSDWXYXILKRKF-IBGZPJMESA-N 1 2 325.456 3.535 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000083247565 1021688545 /nfs/dbraw/zinc/68/85/45/1021688545.db2.gz DBIDNQFSNDEVMJ-CQSZACIVSA-N 1 2 342.842 3.555 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000083247565 1021688552 /nfs/dbraw/zinc/68/85/52/1021688552.db2.gz DBIDNQFSNDEVMJ-CQSZACIVSA-N 1 2 342.842 3.555 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000607130893 1033005280 /nfs/dbraw/zinc/00/52/80/1033005280.db2.gz NLZFNAFCBLSWEY-NZSAHSFTSA-N 1 2 346.540 3.862 20 0 EHADLO CCCCn1nnnc1C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519000727 1021749083 /nfs/dbraw/zinc/74/90/83/1021749083.db2.gz RDGDXCDJLPXWNL-FQEVSTJZSA-N 1 2 347.466 3.621 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519000727 1021749099 /nfs/dbraw/zinc/74/90/99/1021749099.db2.gz RDGDXCDJLPXWNL-FQEVSTJZSA-N 1 2 347.466 3.621 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]cn1C ZINC000276559657 1021793273 /nfs/dbraw/zinc/79/32/73/1021793273.db2.gz IWSLXAYGEBMYAK-UHFFFAOYSA-N 1 2 340.254 3.708 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc2c1 ZINC000130275560 1021802853 /nfs/dbraw/zinc/80/28/53/1021802853.db2.gz NIGCIXIXABSAEK-KRWDZBQOSA-N 1 2 335.407 3.671 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc2c1 ZINC000130275560 1021802870 /nfs/dbraw/zinc/80/28/70/1021802870.db2.gz NIGCIXIXABSAEK-KRWDZBQOSA-N 1 2 335.407 3.671 20 0 EHADLO COc1cccc(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)c1OC ZINC000519963761 1021812919 /nfs/dbraw/zinc/81/29/19/1021812919.db2.gz DYIZJQCXJWAHTK-UHFFFAOYSA-N 1 2 328.412 3.595 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2nccs2)c2ccccc21 ZINC000593685087 1033008692 /nfs/dbraw/zinc/00/86/92/1033008692.db2.gz BJNBVGWVWWBXBS-HUUCEWRRSA-N 1 2 330.453 3.803 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465078 1021856068 /nfs/dbraw/zinc/85/60/68/1021856068.db2.gz QCNFTSSCNBETTL-GDBMZVCRSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465078 1021856081 /nfs/dbraw/zinc/85/60/81/1021856081.db2.gz QCNFTSSCNBETTL-GDBMZVCRSA-N 1 2 344.405 3.632 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000439961977 1021863367 /nfs/dbraw/zinc/86/33/67/1021863367.db2.gz OWCVTLMHPNPKSX-PBHICJAKSA-N 1 2 331.847 3.612 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)CCc1c[nH+]cn1C ZINC000276583042 1021900045 /nfs/dbraw/zinc/90/00/45/1021900045.db2.gz LWQXVKAWTVCLDF-UHFFFAOYSA-N 1 2 331.435 3.711 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440968936 1021906882 /nfs/dbraw/zinc/90/68/82/1021906882.db2.gz OGAVNJYZAUKFQZ-QZTJIDSGSA-N 1 2 344.499 3.955 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440968936 1021906886 /nfs/dbraw/zinc/90/68/86/1021906886.db2.gz OGAVNJYZAUKFQZ-QZTJIDSGSA-N 1 2 344.499 3.955 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1nc2ccccc2s1 ZINC000437519480 1021912578 /nfs/dbraw/zinc/91/25/78/1021912578.db2.gz AGPPNQHRPCREFD-UKRRQHHQSA-N 1 2 347.509 3.595 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1nc2ccccc2s1 ZINC000437519480 1021912586 /nfs/dbraw/zinc/91/25/86/1021912586.db2.gz AGPPNQHRPCREFD-UKRRQHHQSA-N 1 2 347.509 3.595 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(OC)c2F)cc1OC ZINC000891555400 1021920558 /nfs/dbraw/zinc/92/05/58/1021920558.db2.gz RGSDBSVYLIXWDB-HNNXBMFYSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(OC)c2F)cc1OC ZINC000891555400 1021920570 /nfs/dbraw/zinc/92/05/70/1021920570.db2.gz RGSDBSVYLIXWDB-HNNXBMFYSA-N 1 2 346.402 3.584 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441006461 1021920974 /nfs/dbraw/zinc/92/09/74/1021920974.db2.gz BVWLLLCOOTWLSM-LJQANCHMSA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441006461 1021920982 /nfs/dbraw/zinc/92/09/82/1021920982.db2.gz BVWLLLCOOTWLSM-LJQANCHMSA-N 1 2 342.414 3.610 20 0 EHADLO C[N@H+](Cc1ncc(Br)cc1Br)[C@@H]1CC1(C)C ZINC000426561300 1021929396 /nfs/dbraw/zinc/92/93/96/1021929396.db2.gz UUDUYVATXDHREJ-LLVKDONJSA-N 1 2 348.082 3.837 20 0 EHADLO C[N@@H+](Cc1ncc(Br)cc1Br)[C@@H]1CC1(C)C ZINC000426561300 1021929407 /nfs/dbraw/zinc/92/94/07/1021929407.db2.gz UUDUYVATXDHREJ-LLVKDONJSA-N 1 2 348.082 3.837 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000897627998 1033016618 /nfs/dbraw/zinc/01/66/18/1033016618.db2.gz ZUGROUIPUWBIKH-DOTOQJQBSA-N 1 2 329.419 3.518 20 0 EHADLO C[C@H](Cc1nc(Cc2ccc(Cl)cc2Cl)no1)n1cc[nH+]c1 ZINC000517034305 1021961519 /nfs/dbraw/zinc/96/15/19/1021961519.db2.gz YKUPLLVZHZEGHC-SNVBAGLBSA-N 1 2 337.210 3.967 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccccc3)C2)cs1 ZINC000437575488 1021962717 /nfs/dbraw/zinc/96/27/17/1021962717.db2.gz DJOQKYMUJUKZSK-KRWDZBQOSA-N 1 2 325.437 3.712 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccccc3)C2)cs1 ZINC000437575488 1021962725 /nfs/dbraw/zinc/96/27/25/1021962725.db2.gz DJOQKYMUJUKZSK-KRWDZBQOSA-N 1 2 325.437 3.712 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2c(cccc2F)[nH]1 ZINC000437607295 1021991811 /nfs/dbraw/zinc/99/18/11/1021991811.db2.gz VBFAWBNADIXQMY-UHFFFAOYSA-N 1 2 347.340 3.656 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2c(cccc2F)[nH]1 ZINC000437607295 1021991821 /nfs/dbraw/zinc/99/18/21/1021991821.db2.gz VBFAWBNADIXQMY-UHFFFAOYSA-N 1 2 347.340 3.656 20 0 EHADLO Cc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)nc(C2CC2)[nH+]1 ZINC000341468347 1022003320 /nfs/dbraw/zinc/00/33/20/1022003320.db2.gz DVCDCRWGNWDVLG-UHFFFAOYSA-N 1 2 345.393 3.988 20 0 EHADLO COC(=O)[C@H](c1ccccc1Cl)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441135458 1022015466 /nfs/dbraw/zinc/01/54/66/1022015466.db2.gz SXSAVGYHIJSGQL-DOMZBBRYSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@H](c1ccccc1Cl)[N@H+]1CCCC[C@@H](SC)C1 ZINC000441135458 1022015484 /nfs/dbraw/zinc/01/54/84/1022015484.db2.gz SXSAVGYHIJSGQL-DOMZBBRYSA-N 1 2 327.877 3.772 20 0 EHADLO COc1ccsc1C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000506085326 1022019643 /nfs/dbraw/zinc/01/96/43/1022019643.db2.gz KFDGHXISLMUKLX-UHFFFAOYSA-N 1 2 342.917 3.789 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341492681 1022029393 /nfs/dbraw/zinc/02/93/93/1022029393.db2.gz DXKNGTGBXXUPOV-CYBMUJFWSA-N 1 2 327.428 3.583 20 0 EHADLO CSc1ccc(OCC[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000441178731 1022039409 /nfs/dbraw/zinc/03/94/09/1022039409.db2.gz TZQZSGRWHZSJFP-UHFFFAOYSA-N 1 2 348.537 3.667 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)nc(C2CC2)[nH+]1 ZINC000341514175 1022053993 /nfs/dbraw/zinc/05/39/93/1022053993.db2.gz VPQZAJPTGXEUTI-INIZCTEOSA-N 1 2 337.423 3.775 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000437747543 1022102244 /nfs/dbraw/zinc/10/22/44/1022102244.db2.gz OTEMLANOOQXPPC-WGSAOQKQSA-N 1 2 346.434 3.618 20 0 EHADLO CCC[C@@H](C)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000520297682 1022106494 /nfs/dbraw/zinc/10/64/94/1022106494.db2.gz WYMOYCNOUPXYBI-OAHLLOKOSA-N 1 2 329.444 3.548 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000426635598 1022115404 /nfs/dbraw/zinc/11/54/04/1022115404.db2.gz WYHYOJPAHPKABZ-GJZGRUSLSA-N 1 2 348.516 3.783 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000441271655 1022120510 /nfs/dbraw/zinc/12/05/10/1022120510.db2.gz XFOBCDYXBNVMQM-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000441271655 1022120519 /nfs/dbraw/zinc/12/05/19/1022120519.db2.gz XFOBCDYXBNVMQM-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000437829594 1022166709 /nfs/dbraw/zinc/16/67/09/1022166709.db2.gz SNHZATFNWZSIDB-QRWLVFNGSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000437829594 1022166718 /nfs/dbraw/zinc/16/67/18/1022166718.db2.gz SNHZATFNWZSIDB-QRWLVFNGSA-N 1 2 336.435 3.533 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)c1c(F)cccc1Cl ZINC000506142450 1022170074 /nfs/dbraw/zinc/17/00/74/1022170074.db2.gz BUHALQHQCQZTBT-UHFFFAOYSA-N 1 2 333.798 3.546 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000172915392 1033035638 /nfs/dbraw/zinc/03/56/38/1033035638.db2.gz BLAIOYMLJMWQHX-INIZCTEOSA-N 1 2 342.512 3.833 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000172915392 1033035649 /nfs/dbraw/zinc/03/56/49/1033035649.db2.gz BLAIOYMLJMWQHX-INIZCTEOSA-N 1 2 342.512 3.833 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000187642415 1022202531 /nfs/dbraw/zinc/20/25/31/1022202531.db2.gz KFGVXEKOMUWXRM-KRWDZBQOSA-N 1 2 346.377 3.577 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000187642415 1022202538 /nfs/dbraw/zinc/20/25/38/1022202538.db2.gz KFGVXEKOMUWXRM-KRWDZBQOSA-N 1 2 346.377 3.577 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC2CCC1CC2 ZINC000520414288 1022217932 /nfs/dbraw/zinc/21/79/32/1022217932.db2.gz OLEOUYWASDPUMH-YHOLWWCESA-N 1 2 344.503 3.576 20 0 EHADLO COc1ccc([C@H](O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)cc1 ZINC000291247606 1022223753 /nfs/dbraw/zinc/22/37/53/1022223753.db2.gz VOTKEFIEFLLTKQ-DNXIFWLFSA-N 1 2 330.255 3.760 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591044 1022225213 /nfs/dbraw/zinc/22/52/13/1022225213.db2.gz MGWYPUCQKWHDII-AWEZNQCLSA-N 1 2 328.378 3.770 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591044 1022225224 /nfs/dbraw/zinc/22/52/24/1022225224.db2.gz MGWYPUCQKWHDII-AWEZNQCLSA-N 1 2 328.378 3.770 20 0 EHADLO CC(C)(C)c1nn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)[nH]1 ZINC000172952080 1033040813 /nfs/dbraw/zinc/04/08/13/1033040813.db2.gz JETPIHHWIYZUTH-CQSZACIVSA-N 1 2 338.521 3.619 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)[nH]1 ZINC000172952080 1033040820 /nfs/dbraw/zinc/04/08/20/1033040820.db2.gz JETPIHHWIYZUTH-CQSZACIVSA-N 1 2 338.521 3.619 20 0 EHADLO COc1ccc2occ(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000440433736 1022301878 /nfs/dbraw/zinc/30/18/78/1022301878.db2.gz OHIVGEBZPRGQQI-UHFFFAOYSA-N 1 2 333.347 3.879 20 0 EHADLO CC[C@H](C)N(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000664974573 1022308097 /nfs/dbraw/zinc/30/80/97/1022308097.db2.gz HGQBFCIOJJUMMU-ZDUSSCGKSA-N 1 2 334.851 3.856 20 0 EHADLO Cc1cc(CNC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)cc(C)[nH+]1 ZINC000593747483 1033047864 /nfs/dbraw/zinc/04/78/64/1033047864.db2.gz OPWUEZDSRITACW-UHFFFAOYSA-N 1 2 346.471 3.607 20 0 EHADLO Cc1onc(-c2ccccc2C)c1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000684475542 1022387467 /nfs/dbraw/zinc/38/74/67/1022387467.db2.gz MWZCINCKJKHHDM-UHFFFAOYSA-N 1 2 336.395 3.672 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000425318229 1022393645 /nfs/dbraw/zinc/39/36/45/1022393645.db2.gz TXYUMGRZABPRNY-UFYCRDLUSA-N 1 2 345.446 3.852 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)Oc3ccc(C)cc3)ccc2[nH+]1 ZINC000438112896 1022398604 /nfs/dbraw/zinc/39/86/04/1022398604.db2.gz CVBLGJDPHSZHRK-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000517506462 1022401860 /nfs/dbraw/zinc/40/18/60/1022401860.db2.gz FREWGAGDDLKSBU-PMACEKPBSA-N 1 2 333.435 3.736 20 0 EHADLO FCCOCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000664678892 1022403525 /nfs/dbraw/zinc/40/35/25/1022403525.db2.gz XWHILTGGNQBFSI-UHFFFAOYSA-N 1 2 331.160 3.534 20 0 EHADLO CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C12CCCC2 ZINC000438135905 1022413825 /nfs/dbraw/zinc/41/38/25/1022413825.db2.gz LISFWIIQCGFLMH-JKSUJKDBSA-N 1 2 342.443 3.502 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119448168 1033055836 /nfs/dbraw/zinc/05/58/36/1033055836.db2.gz MPBXZFHYWCXZIE-DNVCBOLYSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124113244 1022445466 /nfs/dbraw/zinc/44/54/66/1022445466.db2.gz GUSOHPUGNGOKGA-UKRRQHHQSA-N 1 2 346.500 3.570 20 0 EHADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(-c3ccccc3)cc2)C2CC2)C1 ZINC000111234274 1022446004 /nfs/dbraw/zinc/44/60/04/1022446004.db2.gz QFEXZXLZKVDWLW-HXUWFJFHSA-N 1 2 341.476 3.505 20 0 EHADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(-c3ccccc3)cc2)C2CC2)C1 ZINC000111234274 1022446014 /nfs/dbraw/zinc/44/60/14/1022446014.db2.gz QFEXZXLZKVDWLW-HXUWFJFHSA-N 1 2 341.476 3.505 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000328601166 1022462825 /nfs/dbraw/zinc/46/28/25/1022462825.db2.gz FAFCQHZMICYJIK-AWEZNQCLSA-N 1 2 329.444 3.972 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000341594167 1022467125 /nfs/dbraw/zinc/46/71/25/1022467125.db2.gz XMJRVQINFITSMF-KGLIPLIRSA-N 1 2 341.436 3.928 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826989 1022489992 /nfs/dbraw/zinc/48/99/92/1022489992.db2.gz DOVIVXDKLRUSLF-APWZRJJASA-N 1 2 341.499 3.860 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826989 1022490000 /nfs/dbraw/zinc/49/00/00/1022490000.db2.gz DOVIVXDKLRUSLF-APWZRJJASA-N 1 2 341.499 3.860 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)CC(F)(F)F)o1 ZINC000303806602 1022510725 /nfs/dbraw/zinc/51/07/25/1022510725.db2.gz KLAPVJYVNJPLNQ-AWEZNQCLSA-N 1 2 346.393 3.780 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)CC(F)(F)F)o1 ZINC000303806602 1022510745 /nfs/dbraw/zinc/51/07/45/1022510745.db2.gz KLAPVJYVNJPLNQ-AWEZNQCLSA-N 1 2 346.393 3.780 20 0 EHADLO Cc1nc(N2CC(Cc3ccc(F)c(F)c3)C2)c2c([nH+]1)CCCC2 ZINC000548364337 1022522580 /nfs/dbraw/zinc/52/25/80/1022522580.db2.gz KVRUOMIBEZIGCM-UHFFFAOYSA-N 1 2 329.394 3.621 20 0 EHADLO CCC[N@H+](Cc1[nH]nc(C)c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000894589395 1022579689 /nfs/dbraw/zinc/57/96/89/1022579689.db2.gz QLDRGGLMEPZUHK-MRXNPFEDSA-N 1 2 328.460 3.574 20 0 EHADLO CCC[N@@H+](Cc1[nH]nc(C)c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000894589395 1022579697 /nfs/dbraw/zinc/57/96/97/1022579697.db2.gz QLDRGGLMEPZUHK-MRXNPFEDSA-N 1 2 328.460 3.574 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2c(Cl)cccc2Cl)c(C)o1 ZINC000594614671 1033476704 /nfs/dbraw/zinc/47/67/04/1033476704.db2.gz LIZNFHDRUXODAX-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1CCc2sccc2C1 ZINC000430719612 1022621391 /nfs/dbraw/zinc/62/13/91/1022621391.db2.gz KELQLTDURVASCT-UHFFFAOYSA-N 1 2 325.437 3.501 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1CCc2sccc2C1 ZINC000430719612 1022621395 /nfs/dbraw/zinc/62/13/95/1022621395.db2.gz KELQLTDURVASCT-UHFFFAOYSA-N 1 2 325.437 3.501 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CCC3(C)C)n2)O1 ZINC000665002008 1022628997 /nfs/dbraw/zinc/62/89/97/1022628997.db2.gz UJTJNFQRDOHQKM-HYVNUMGLSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CCC3(C)C)n2)O1 ZINC000665002008 1022629006 /nfs/dbraw/zinc/62/90/06/1022629006.db2.gz UJTJNFQRDOHQKM-HYVNUMGLSA-N 1 2 341.455 3.935 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004642 1022644994 /nfs/dbraw/zinc/64/49/94/1022644994.db2.gz IYHUIQUEFWQHLY-IBVYMYGYSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004642 1022645003 /nfs/dbraw/zinc/64/50/03/1022645003.db2.gz IYHUIQUEFWQHLY-IBVYMYGYSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000517796524 1022677727 /nfs/dbraw/zinc/67/77/27/1022677727.db2.gz MWXRZMZMCFQNCT-UHFFFAOYSA-N 1 2 346.481 3.587 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000164372770 1022716248 /nfs/dbraw/zinc/71/62/48/1022716248.db2.gz GQRDIMHBMCKWGA-UZLBHIALSA-N 1 2 348.450 3.934 20 0 EHADLO Cc1nocc1C[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000894697393 1022745120 /nfs/dbraw/zinc/74/51/20/1022745120.db2.gz MWYYIOFXYDVETQ-UHFFFAOYSA-N 1 2 333.588 3.828 20 0 EHADLO Cc1cccc2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)oc21 ZINC000149385538 1033083339 /nfs/dbraw/zinc/08/33/39/1033083339.db2.gz OJBPIVUWKDTDPI-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341645524 1022769860 /nfs/dbraw/zinc/76/98/60/1022769860.db2.gz UAEDYERRPKJELZ-ZDUSSCGKSA-N 1 2 347.411 3.713 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000353647880 1022773371 /nfs/dbraw/zinc/77/33/71/1022773371.db2.gz HYGJSEGLADQQPP-LLVKDONJSA-N 1 2 338.167 3.689 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000353647880 1022773379 /nfs/dbraw/zinc/77/33/79/1022773379.db2.gz HYGJSEGLADQQPP-LLVKDONJSA-N 1 2 338.167 3.689 20 0 EHADLO O=C(c1ccnc2ccccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341647306 1022781645 /nfs/dbraw/zinc/78/16/45/1022781645.db2.gz PRBYQAZPDRTNLN-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(F)F ZINC000293369227 1022797068 /nfs/dbraw/zinc/79/70/68/1022797068.db2.gz HZBBUENHXCJVKL-GFCCVEGCSA-N 1 2 331.366 3.832 20 0 EHADLO CCc1cc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)nc(CC)[nH+]1 ZINC000894728163 1022805331 /nfs/dbraw/zinc/80/53/31/1022805331.db2.gz DHXRANAAKJPECS-KRWDZBQOSA-N 1 2 325.391 3.665 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000293565869 1022862827 /nfs/dbraw/zinc/86/28/27/1022862827.db2.gz GOQKCFUIYYAGGV-UHFFFAOYSA-N 1 2 337.423 3.843 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000293565869 1022862839 /nfs/dbraw/zinc/86/28/39/1022862839.db2.gz GOQKCFUIYYAGGV-UHFFFAOYSA-N 1 2 337.423 3.843 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341655526 1022865772 /nfs/dbraw/zinc/86/57/72/1022865772.db2.gz HJZLQTUIIHSERT-CYBMUJFWSA-N 1 2 347.411 3.713 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)ccc1Cl ZINC000430904662 1022866622 /nfs/dbraw/zinc/86/66/22/1022866622.db2.gz UPOSEUGEYCEEMA-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO C/C(=C\c1ccncc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125547667 1022876772 /nfs/dbraw/zinc/87/67/72/1022876772.db2.gz MFILVLBKGCTRNN-JLHYYAGUSA-N 1 2 338.798 3.963 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[C@H]2C(C)C)c(C)c1 ZINC000476279962 1033093503 /nfs/dbraw/zinc/09/35/03/1033093503.db2.gz VHVKWZXMLOUUOR-OTWHNJEPSA-N 1 2 325.456 3.650 20 0 EHADLO COC[C@H](NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000520463068 1022964503 /nfs/dbraw/zinc/96/45/03/1022964503.db2.gz OVUSCDAVGDEXNA-RBUKOAKNSA-N 1 2 332.875 3.920 20 0 EHADLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccc1-c1ccncc1 ZINC000518103384 1022998133 /nfs/dbraw/zinc/99/81/33/1022998133.db2.gz TZLVGVDEKJTXQW-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000438786142 1022999103 /nfs/dbraw/zinc/99/91/03/1022999103.db2.gz XLTGVAVDIOEEBX-NSHDSACASA-N 1 2 349.312 3.759 20 0 EHADLO Clc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)cc2c1OCCO2 ZINC000441463316 1023000634 /nfs/dbraw/zinc/00/06/34/1023000634.db2.gz KTLWHLPTDVUYBW-UHFFFAOYSA-N 1 2 337.847 3.646 20 0 EHADLO Clc1cc(C[N@H+]2CCOC3(CCCCC3)C2)cc2c1OCCO2 ZINC000441463316 1023000649 /nfs/dbraw/zinc/00/06/49/1023000649.db2.gz KTLWHLPTDVUYBW-UHFFFAOYSA-N 1 2 337.847 3.646 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[C@@H]2C(C)C)c(C)c1 ZINC000476279973 1033094597 /nfs/dbraw/zinc/09/45/97/1033094597.db2.gz VHVKWZXMLOUUOR-QYZOEREBSA-N 1 2 325.456 3.650 20 0 EHADLO Cc1ccc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nc1 ZINC000506934224 1023026094 /nfs/dbraw/zinc/02/60/94/1023026094.db2.gz YNTSUTGWZVBWIP-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)nc1 ZINC000506934224 1023026106 /nfs/dbraw/zinc/02/61/06/1023026106.db2.gz YNTSUTGWZVBWIP-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000509557617 1023058813 /nfs/dbraw/zinc/05/88/13/1023058813.db2.gz GOXOHFUSELWVRD-UHFFFAOYSA-N 1 2 339.483 3.836 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000509557617 1023058817 /nfs/dbraw/zinc/05/88/17/1023058817.db2.gz GOXOHFUSELWVRD-UHFFFAOYSA-N 1 2 339.483 3.836 20 0 EHADLO COCc1ccccc1/C=C(\C)CN1CC[NH+](Cc2ccco2)CC1 ZINC000507048178 1023098110 /nfs/dbraw/zinc/09/81/10/1023098110.db2.gz OMMQXCXFALHKBF-NBVRZTHBSA-N 1 2 340.467 3.647 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3[C@H](C)C[C@@H]3C)cs2)cc1 ZINC000548426511 1023109717 /nfs/dbraw/zinc/10/97/17/1023109717.db2.gz AZCAVVRJFORVLB-OKILXGFUSA-N 1 2 329.469 3.615 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3[C@H](C)C[C@@H]3C)cs2)cc1 ZINC000548426511 1023109722 /nfs/dbraw/zinc/10/97/22/1023109722.db2.gz AZCAVVRJFORVLB-OKILXGFUSA-N 1 2 329.469 3.615 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000532088916 1023111181 /nfs/dbraw/zinc/11/11/81/1023111181.db2.gz OUGUDELILFKBGI-UHFFFAOYSA-N 1 2 343.814 3.876 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1nc3c(s1)CCC3)O[C@@H](C)C2 ZINC000134728759 1033105953 /nfs/dbraw/zinc/10/59/53/1033105953.db2.gz QEKJHRNZOWJDDQ-RYUDHWBXSA-N 1 2 344.480 3.815 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470701 1023140115 /nfs/dbraw/zinc/14/01/15/1023140115.db2.gz RXUHCPMXDBBQPY-JYJNAYRXSA-N 1 2 326.444 3.763 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877713 1033108211 /nfs/dbraw/zinc/10/82/11/1033108211.db2.gz ZXABMKCDKSLTOL-OALUTQOASA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877713 1033108217 /nfs/dbraw/zinc/10/82/17/1033108217.db2.gz ZXABMKCDKSLTOL-OALUTQOASA-N 1 2 331.843 3.665 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000426233514 1023145575 /nfs/dbraw/zinc/14/55/75/1023145575.db2.gz STGVVPXHKKRXND-UHFFFAOYSA-N 1 2 342.773 3.587 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(Br)c1 ZINC001140486426 1023152670 /nfs/dbraw/zinc/15/26/70/1023152670.db2.gz NQESRUKUNPWHEO-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(Br)c1 ZINC001140486426 1023152673 /nfs/dbraw/zinc/15/26/73/1023152673.db2.gz NQESRUKUNPWHEO-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)o1 ZINC000891870560 1023155636 /nfs/dbraw/zinc/15/56/36/1023155636.db2.gz CSFHCUNTPGEKRQ-IBGZPJMESA-N 1 2 343.402 3.772 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)o1 ZINC000891870560 1023155638 /nfs/dbraw/zinc/15/56/38/1023155638.db2.gz CSFHCUNTPGEKRQ-IBGZPJMESA-N 1 2 343.402 3.772 20 0 EHADLO CCC[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000077022237 1023169282 /nfs/dbraw/zinc/16/92/82/1023169282.db2.gz JIZPEYBLDCKYRJ-KRWDZBQOSA-N 1 2 332.492 3.768 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)cc2OC)[nH]1 ZINC000276842247 1023196692 /nfs/dbraw/zinc/19/66/92/1023196692.db2.gz CEXHUXFRZXICDW-YNEHKIRRSA-N 1 2 332.448 3.747 20 0 EHADLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000506460999 1023202582 /nfs/dbraw/zinc/20/25/82/1023202582.db2.gz ZFSWBHUIPJKJNF-BMRADRMJSA-N 1 2 338.426 3.687 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000427081868 1023204381 /nfs/dbraw/zinc/20/43/81/1023204381.db2.gz UJRWKZIEAQXICF-SJORKVTESA-N 1 2 330.447 3.777 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1OCCc2ccccc21 ZINC000507276105 1023226113 /nfs/dbraw/zinc/22/61/13/1023226113.db2.gz WJCGPWKNZYXDQB-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1OCCc2ccccc21 ZINC000507276105 1023226126 /nfs/dbraw/zinc/22/61/26/1023226126.db2.gz WJCGPWKNZYXDQB-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1OCCc2ccccc21 ZINC000507276106 1023227291 /nfs/dbraw/zinc/22/72/91/1023227291.db2.gz WJCGPWKNZYXDQB-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1OCCc2ccccc21 ZINC000507276106 1023227303 /nfs/dbraw/zinc/22/73/03/1023227303.db2.gz WJCGPWKNZYXDQB-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000341745816 1023246060 /nfs/dbraw/zinc/24/60/60/1023246060.db2.gz ZLYVOUUQLBZIMA-GFCCVEGCSA-N 1 2 333.457 3.536 20 0 EHADLO CCC[N@H+](Cc1ccnc(C)n1)Cc1ccccc1Br ZINC000507329769 1023253081 /nfs/dbraw/zinc/25/30/81/1023253081.db2.gz NSTXSXGFXLDHMK-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO CCC[N@@H+](Cc1ccnc(C)n1)Cc1ccccc1Br ZINC000507329769 1023253091 /nfs/dbraw/zinc/25/30/91/1023253091.db2.gz NSTXSXGFXLDHMK-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO Cc1nc(C(C)(C)NC(=O)NCc2c[nH+]c(C)cc2C)sc1C ZINC000459084953 1023265633 /nfs/dbraw/zinc/26/56/33/1023265633.db2.gz UXMYOFYMDAODJX-UHFFFAOYSA-N 1 2 332.473 3.506 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703962 1023297595 /nfs/dbraw/zinc/29/75/95/1023297595.db2.gz HULFPRIDBXZNBQ-KKSFZXQISA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703962 1023297602 /nfs/dbraw/zinc/29/76/02/1023297602.db2.gz HULFPRIDBXZNBQ-KKSFZXQISA-N 1 2 337.467 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(O)c1 ZINC000341810568 1023351829 /nfs/dbraw/zinc/35/18/29/1023351829.db2.gz LHAYCAHOBYVNCS-NSHDSACASA-N 1 2 335.363 3.638 20 0 EHADLO Cc1cc(C)c(-c2nn(C[N@H+](C)C[C@H]3CCOC3)c(=S)o2)c(C)c1 ZINC000176092322 1023430614 /nfs/dbraw/zinc/43/06/14/1023430614.db2.gz VDNBDPKSPLCNBE-OAHLLOKOSA-N 1 2 347.484 3.724 20 0 EHADLO Cc1cc(C)c(-c2nn(C[N@@H+](C)C[C@H]3CCOC3)c(=S)o2)c(C)c1 ZINC000176092322 1023430618 /nfs/dbraw/zinc/43/06/18/1023430618.db2.gz VDNBDPKSPLCNBE-OAHLLOKOSA-N 1 2 347.484 3.724 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)csc2c1 ZINC000684570564 1023434473 /nfs/dbraw/zinc/43/44/73/1023434473.db2.gz VQGHHBCTTJVKNX-CQSZACIVSA-N 1 2 325.437 3.884 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C)cc1Cl)c1ccccn1 ZINC000593975185 1033133360 /nfs/dbraw/zinc/13/33/60/1033133360.db2.gz JYAFWAIQRBWZKO-GOSISDBHSA-N 1 2 332.831 3.612 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000897755042 1033150651 /nfs/dbraw/zinc/15/06/51/1033150651.db2.gz BUMACUVWTRDVTM-GHZIXAOTSA-N 1 2 325.412 3.617 20 0 EHADLO CC(C)[C@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CS1 ZINC000277058619 1023727134 /nfs/dbraw/zinc/72/71/34/1023727134.db2.gz DCAMWYBNSACROM-MAUKXSAKSA-N 1 2 331.485 3.904 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341988625 1023742426 /nfs/dbraw/zinc/74/24/26/1023742426.db2.gz JFTCNHFUJUJSNX-NSHDSACASA-N 1 2 340.349 3.857 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccc(Cl)cn2)c(Br)c1 ZINC000352734371 1023761892 /nfs/dbraw/zinc/76/18/92/1023761892.db2.gz XBHIMZLARPWKIM-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO CN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)C1CCCCC1 ZINC000096981613 1023900868 /nfs/dbraw/zinc/90/08/68/1023900868.db2.gz MDYYSTBHPVLQOV-OAQYLSRUSA-N 1 2 337.467 3.552 20 0 EHADLO CCc1nocc1C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000449754802 1033171921 /nfs/dbraw/zinc/17/19/21/1033171921.db2.gz SASBPRVLPWGRCB-UHFFFAOYSA-N 1 2 326.799 3.678 20 0 EHADLO CCc1nocc1C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000449754802 1033171922 /nfs/dbraw/zinc/17/19/22/1033171922.db2.gz SASBPRVLPWGRCB-UHFFFAOYSA-N 1 2 326.799 3.678 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(Cl)cc1 ZINC000192253423 1023963072 /nfs/dbraw/zinc/96/30/72/1023963072.db2.gz QKAAWIMKFURIBS-UHFFFAOYSA-N 1 2 348.878 3.721 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(F)c(C(=O)N2CCCCC2)c1 ZINC001211867973 1023979622 /nfs/dbraw/zinc/97/96/22/1023979622.db2.gz CGVZVCSQSAKWTM-UHFFFAOYSA-N 1 2 329.375 3.599 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000150898479 1023979720 /nfs/dbraw/zinc/97/97/20/1023979720.db2.gz JFNLHLVHBPUISA-OAHLLOKOSA-N 1 2 337.398 3.740 20 0 EHADLO CCCOc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469848 1033177340 /nfs/dbraw/zinc/17/73/40/1033177340.db2.gz QODBNTWMAYLNEA-KRWDZBQOSA-N 1 2 344.459 3.908 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1 ZINC000602804123 1033177723 /nfs/dbraw/zinc/17/77/23/1033177723.db2.gz IQJLADGYCPFOKH-GOSISDBHSA-N 1 2 343.398 3.681 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000192348505 1023992257 /nfs/dbraw/zinc/99/22/57/1023992257.db2.gz NXQVJRVJTUEPSE-IAGOWNOFSA-N 1 2 334.508 3.693 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC12CCCCC2 ZINC000190636914 1024017021 /nfs/dbraw/zinc/01/70/21/1024017021.db2.gz NGHVWPHLPDHBGM-INIZCTEOSA-N 1 2 332.492 3.590 20 0 EHADLO C[C@H](NCc1c(F)cc(F)c(F)c1F)c1cn2c([nH+]1)CCCC2 ZINC000926322892 1024052327 /nfs/dbraw/zinc/05/23/27/1024052327.db2.gz UOFNWNLQGCXVTC-VIFPVBQESA-N 1 2 327.325 3.627 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592389 1024054194 /nfs/dbraw/zinc/05/41/94/1024054194.db2.gz QZCSKSHKQSJQIH-CYBMUJFWSA-N 1 2 327.371 3.799 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592389 1024054212 /nfs/dbraw/zinc/05/42/12/1024054212.db2.gz QZCSKSHKQSJQIH-CYBMUJFWSA-N 1 2 327.371 3.799 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)cs1 ZINC000151231505 1024091804 /nfs/dbraw/zinc/09/18/04/1024091804.db2.gz BXQSUYBTYPVSBM-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)CCOCC1CC1 ZINC000514077043 1024095773 /nfs/dbraw/zinc/09/57/73/1024095773.db2.gz KGKFZHSQKXYNJC-LBPRGKRZSA-N 1 2 335.448 3.764 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)CCOCC1CC1 ZINC000514077043 1024095788 /nfs/dbraw/zinc/09/57/88/1024095788.db2.gz KGKFZHSQKXYNJC-LBPRGKRZSA-N 1 2 335.448 3.764 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cnc(OCc3ccccc3)cn2)c(C)[nH+]1 ZINC000428312971 1024150926 /nfs/dbraw/zinc/15/09/26/1024150926.db2.gz VNMDBYLERGVOJA-UHFFFAOYSA-N 1 2 348.406 3.628 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000514155607 1024187210 /nfs/dbraw/zinc/18/72/10/1024187210.db2.gz JBXITFBENDPRGH-ZWKOTPCHSA-N 1 2 343.515 3.893 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280961509 1024234998 /nfs/dbraw/zinc/23/49/98/1024234998.db2.gz JSGHBLXOUDADIQ-SFHVURJKSA-N 1 2 343.496 3.987 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280961509 1024235016 /nfs/dbraw/zinc/23/50/16/1024235016.db2.gz JSGHBLXOUDADIQ-SFHVURJKSA-N 1 2 343.496 3.987 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)cc1C ZINC000329915029 1024249455 /nfs/dbraw/zinc/24/94/55/1024249455.db2.gz PLLKTDFYQOJDRE-VKJFTORMSA-N 1 2 341.455 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)cc1C ZINC000329915029 1024249468 /nfs/dbraw/zinc/24/94/68/1024249468.db2.gz PLLKTDFYQOJDRE-VKJFTORMSA-N 1 2 341.455 3.914 20 0 EHADLO COc1cccc(Cl)c1C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000514231808 1024263712 /nfs/dbraw/zinc/26/37/12/1024263712.db2.gz CTMAOVOSXNRSII-OAHLLOKOSA-N 1 2 326.223 3.825 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H]2c2ccccc2)C1 ZINC000728043465 1024286147 /nfs/dbraw/zinc/28/61/47/1024286147.db2.gz GBTHFDPXSWLWSE-HOCLYGCPSA-N 1 2 328.481 3.829 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H]2c2ccccc2)C1 ZINC000728043465 1024286152 /nfs/dbraw/zinc/28/61/52/1024286152.db2.gz GBTHFDPXSWLWSE-HOCLYGCPSA-N 1 2 328.481 3.829 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000434714873 1024318966 /nfs/dbraw/zinc/31/89/66/1024318966.db2.gz UFQQPPJBEFZLLC-GJZGRUSLSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000434714873 1024318986 /nfs/dbraw/zinc/31/89/86/1024318986.db2.gz UFQQPPJBEFZLLC-GJZGRUSLSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccsc1CN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425145592 1024321329 /nfs/dbraw/zinc/32/13/29/1024321329.db2.gz GRBYINKSAXIEPH-INIZCTEOSA-N 1 2 339.464 3.960 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522357071 1024331354 /nfs/dbraw/zinc/33/13/54/1024331354.db2.gz TTZSRKLXIYUXCY-UHFFFAOYSA-N 1 2 333.435 3.775 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)CC ZINC000190697768 1024343614 /nfs/dbraw/zinc/34/36/14/1024343614.db2.gz SUBXYJPUPOJNDH-UHFFFAOYSA-N 1 2 346.519 3.766 20 0 EHADLO CCC1(C)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425161681 1024362936 /nfs/dbraw/zinc/36/29/36/1024362936.db2.gz YGCHJRUVNXGSMM-QGZVFWFLSA-N 1 2 325.456 3.970 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H](C)C1 ZINC000425172365 1024374967 /nfs/dbraw/zinc/37/49/67/1024374967.db2.gz AKGIUKMPGYOJSG-ATLSCFEFSA-N 1 2 325.456 3.873 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@]1=O ZINC000277268039 1024387684 /nfs/dbraw/zinc/38/76/84/1024387684.db2.gz RIKPDTDTXZVQLW-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@]1=O ZINC000277268039 1024387700 /nfs/dbraw/zinc/38/77/00/1024387700.db2.gz RIKPDTDTXZVQLW-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(Cl)c1C ZINC000505507177 1024390783 /nfs/dbraw/zinc/39/07/83/1024390783.db2.gz PWKXZTQOTYYYOV-KRWDZBQOSA-N 1 2 346.833 3.883 20 0 EHADLO CCCC1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CCC1 ZINC000346096278 1024397910 /nfs/dbraw/zinc/39/79/10/1024397910.db2.gz PDNVOXMKQCJMGL-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO CC1(C)CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425189182 1024413266 /nfs/dbraw/zinc/41/32/66/1024413266.db2.gz SDHLNBRRMILXHG-QGZVFWFLSA-N 1 2 325.456 3.970 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000520691584 1024431300 /nfs/dbraw/zinc/43/13/00/1024431300.db2.gz UIUWFZMDZDSFFX-QGZVFWFLSA-N 1 2 341.455 3.591 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccoc1C1CC1 ZINC000281946530 1024463880 /nfs/dbraw/zinc/46/38/80/1024463880.db2.gz RDTIGIKVQFWXBS-UHFFFAOYSA-N 1 2 339.439 3.862 20 0 EHADLO CS[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C ZINC000425229237 1024465680 /nfs/dbraw/zinc/46/56/80/1024465680.db2.gz BHCYHAJDYJWJFP-HZPDHXFCSA-N 1 2 345.512 3.826 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(C)c1OC ZINC000342230015 1024484815 /nfs/dbraw/zinc/48/48/15/1024484815.db2.gz LZTWHYLFJPPONP-UHFFFAOYSA-N 1 2 348.443 3.605 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3cnn(C4CCC4)c3)CC23CCOCC3)c1 ZINC000895432540 1024493948 /nfs/dbraw/zinc/49/39/48/1024493948.db2.gz BUQGXPXUDWRNDH-SFHVURJKSA-N 1 2 327.428 3.555 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3cnn(C4CCC4)c3)CC23CCOCC3)c1 ZINC000895432540 1024493955 /nfs/dbraw/zinc/49/39/55/1024493955.db2.gz BUQGXPXUDWRNDH-SFHVURJKSA-N 1 2 327.428 3.555 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000536466183 1024500050 /nfs/dbraw/zinc/50/00/50/1024500050.db2.gz DOGVDEQAQIOQLK-KXBFYZLASA-N 1 2 340.471 3.772 20 0 EHADLO CCn1nc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c2ccccc21 ZINC000472052241 1024503203 /nfs/dbraw/zinc/50/32/03/1024503203.db2.gz JGOCWRGQXSFRRM-IBGZPJMESA-N 1 2 348.454 3.586 20 0 EHADLO CCCc1csc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000425240744 1024506174 /nfs/dbraw/zinc/50/61/74/1024506174.db2.gz ZFPWUAUKNIRKFY-OAHLLOKOSA-N 1 2 340.452 3.979 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccnc(OC)c1 ZINC000536474704 1024522426 /nfs/dbraw/zinc/52/24/26/1024522426.db2.gz ABSITQUAILOXLE-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccnc(OC)c1 ZINC000536474704 1024522431 /nfs/dbraw/zinc/52/24/31/1024522431.db2.gz ABSITQUAILOXLE-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425253419 1024524043 /nfs/dbraw/zinc/52/40/43/1024524043.db2.gz JXXKEXYYWUKSAR-WBVHZDCISA-N 1 2 325.456 3.826 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCC[C@@H](C)C1 ZINC000459181720 1024547595 /nfs/dbraw/zinc/54/75/95/1024547595.db2.gz XWSQAFWVELREQI-PMPSAXMXSA-N 1 2 332.492 3.576 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@H]1F ZINC001143428764 1024556541 /nfs/dbraw/zinc/55/65/41/1024556541.db2.gz NDIPPVSYNFGTCZ-RYUDHWBXSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@H]1F ZINC001143428764 1024556549 /nfs/dbraw/zinc/55/65/49/1024556549.db2.gz NDIPPVSYNFGTCZ-RYUDHWBXSA-N 1 2 341.732 3.533 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCOc4c(F)cccc4C3)ccc2O1 ZINC000435038561 1024562943 /nfs/dbraw/zinc/56/29/43/1024562943.db2.gz UANMBDQPZOLISM-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCOc4c(F)cccc4C3)ccc2O1 ZINC000435038561 1024562953 /nfs/dbraw/zinc/56/29/53/1024562953.db2.gz UANMBDQPZOLISM-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1c[nH+]c2c(C)cccn12 ZINC000435031737 1024571411 /nfs/dbraw/zinc/57/14/11/1024571411.db2.gz AKIWUYLJBNUXOE-OALUTQOASA-N 1 2 349.434 3.521 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C)c1ccccc1 ZINC000474211506 1024583407 /nfs/dbraw/zinc/58/34/07/1024583407.db2.gz VKDZMWFAURSBPW-GFCCVEGCSA-N 1 2 343.377 3.543 20 0 EHADLO O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342262329 1024610845 /nfs/dbraw/zinc/61/08/45/1024610845.db2.gz JOVLEBYRURQZHO-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO CC1(C)CCc2cc(C[N@@H+]3CCOC[C@@H]3CC(F)F)ccc2O1 ZINC000514633869 1024623181 /nfs/dbraw/zinc/62/31/81/1024623181.db2.gz QQLJEDITNJFKJG-HNNXBMFYSA-N 1 2 325.399 3.646 20 0 EHADLO CC1(C)CCc2cc(C[N@H+]3CCOC[C@@H]3CC(F)F)ccc2O1 ZINC000514633869 1024623188 /nfs/dbraw/zinc/62/31/88/1024623188.db2.gz QQLJEDITNJFKJG-HNNXBMFYSA-N 1 2 325.399 3.646 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000346306256 1024631189 /nfs/dbraw/zinc/63/11/89/1024631189.db2.gz MOTTUIRUYZWIFL-AWEZNQCLSA-N 1 2 335.407 3.930 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000548601448 1024634296 /nfs/dbraw/zinc/63/42/96/1024634296.db2.gz WEPIBPRHOFTHRH-TZMCWYRMSA-N 1 2 347.488 3.716 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000665207078 1024635536 /nfs/dbraw/zinc/63/55/36/1024635536.db2.gz MITUTUGDQQYQOT-SFHVURJKSA-N 1 2 345.512 3.874 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@H]1C ZINC000614670066 1024638061 /nfs/dbraw/zinc/63/80/61/1024638061.db2.gz SKSKYHVWBPUOAM-BRWVUGGUSA-N 1 2 349.544 3.680 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2nc(-c3ccccc3)no2)ccc1O ZINC000156898062 1024656788 /nfs/dbraw/zinc/65/67/88/1024656788.db2.gz BHEGNEYJZMZOEF-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2nc(-c3ccccc3)no2)ccc1O ZINC000156898062 1024656794 /nfs/dbraw/zinc/65/67/94/1024656794.db2.gz BHEGNEYJZMZOEF-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000474275205 1024665688 /nfs/dbraw/zinc/66/56/88/1024665688.db2.gz OEWHVYSKGZIJLW-UHFFFAOYSA-N 1 2 338.480 3.564 20 0 EHADLO O=C1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c2ccccc21 ZINC000346383198 1024672806 /nfs/dbraw/zinc/67/28/06/1024672806.db2.gz GUAJZQGAJWCFBS-QGZVFWFLSA-N 1 2 342.358 3.641 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346388692 1024678825 /nfs/dbraw/zinc/67/88/25/1024678825.db2.gz WWCWKPMCHATVSA-SWLSCSKDSA-N 1 2 331.847 3.573 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000330312933 1024679882 /nfs/dbraw/zinc/67/98/82/1024679882.db2.gz OOZDFDMDJLVGQZ-ZDUSSCGKSA-N 1 2 345.516 3.643 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000330312933 1024679889 /nfs/dbraw/zinc/67/98/89/1024679889.db2.gz OOZDFDMDJLVGQZ-ZDUSSCGKSA-N 1 2 345.516 3.643 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccnn2C2CCC2)[C@H](C)CO1 ZINC000892098777 1024681148 /nfs/dbraw/zinc/68/11/48/1024681148.db2.gz PCQCXLLCGJONIB-OXQOHEQNSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccnn2C2CCC2)[C@H](C)CO1 ZINC000892098777 1024681154 /nfs/dbraw/zinc/68/11/54/1024681154.db2.gz PCQCXLLCGJONIB-OXQOHEQNSA-N 1 2 325.456 3.879 20 0 EHADLO CCSCc1ccc[nH+]c1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000895689509 1024721377 /nfs/dbraw/zinc/72/13/77/1024721377.db2.gz WQYHLQBNRYYSGT-UHFFFAOYSA-N 1 2 345.468 3.644 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cn(C)nc2C2CCCC2)c1C ZINC000895692648 1024726489 /nfs/dbraw/zinc/72/64/89/1024726489.db2.gz ODOIFSRGXQKTMN-UHFFFAOYSA-N 1 2 329.492 3.543 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cn(C)nc2C2CCCC2)c1C ZINC000895692648 1024726494 /nfs/dbraw/zinc/72/64/94/1024726494.db2.gz ODOIFSRGXQKTMN-UHFFFAOYSA-N 1 2 329.492 3.543 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114705011 1024745065 /nfs/dbraw/zinc/74/50/65/1024745065.db2.gz OWFIFFWECNLPRV-QZTJIDSGSA-N 1 2 343.515 3.893 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000342292157 1024749431 /nfs/dbraw/zinc/74/94/31/1024749431.db2.gz FRTRLFRABZJHTK-VBKZILBWSA-N 1 2 337.398 3.682 20 0 EHADLO Cn1ncc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000346468884 1024755632 /nfs/dbraw/zinc/75/56/32/1024755632.db2.gz MKRWOMUFSVTMOX-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474338098 1024764350 /nfs/dbraw/zinc/76/43/50/1024764350.db2.gz SBTRCFCGIWPTTP-LJQANCHMSA-N 1 2 342.414 3.828 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474338098 1024764361 /nfs/dbraw/zinc/76/43/61/1024764361.db2.gz SBTRCFCGIWPTTP-LJQANCHMSA-N 1 2 342.414 3.828 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NCCCOC2CCOCC2)cc1 ZINC000353959512 1024765401 /nfs/dbraw/zinc/76/54/01/1024765401.db2.gz FNKGYHKQFCSMHR-UHFFFAOYSA-N 1 2 342.439 3.658 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H](C2CCCC2)C1 ZINC000425327382 1024772668 /nfs/dbraw/zinc/77/26/68/1024772668.db2.gz NEZDBMSWTMQOMV-OALUTQOASA-N 1 2 337.467 3.970 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1c[nH+]c(N(C)C)n1C ZINC000425326936 1024772988 /nfs/dbraw/zinc/77/29/88/1024772988.db2.gz OXJQVTFQWRFGHO-NSHDSACASA-N 1 2 341.286 3.986 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(F)c(C)c1 ZINC000892113428 1024776767 /nfs/dbraw/zinc/77/67/67/1024776767.db2.gz GOGHOZAXPBOHGL-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(F)c(C)c1 ZINC000892113428 1024776783 /nfs/dbraw/zinc/77/67/83/1024776783.db2.gz GOGHOZAXPBOHGL-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO Cc1ccnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000346506655 1024785282 /nfs/dbraw/zinc/78/52/82/1024785282.db2.gz PGWHYQVMSHJGTN-GFCCVEGCSA-N 1 2 340.254 3.991 20 0 EHADLO Cc1ccnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000346506655 1024785312 /nfs/dbraw/zinc/78/53/12/1024785312.db2.gz PGWHYQVMSHJGTN-GFCCVEGCSA-N 1 2 340.254 3.991 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H]1CC[C@H]1SC ZINC000425333106 1024794613 /nfs/dbraw/zinc/79/46/13/1024794613.db2.gz FFAMRCAZXRYHLV-NVXWUHKLSA-N 1 2 336.501 3.616 20 0 EHADLO Clc1ccc(Cc2nc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)cs2)cc1 ZINC000657303305 1024830989 /nfs/dbraw/zinc/83/09/89/1024830989.db2.gz QHAWSJXSVJERCF-PBHICJAKSA-N 1 2 348.899 3.998 20 0 EHADLO Clc1ccc(Cc2nc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)cs2)cc1 ZINC000657303305 1024831014 /nfs/dbraw/zinc/83/10/14/1024831014.db2.gz QHAWSJXSVJERCF-PBHICJAKSA-N 1 2 348.899 3.998 20 0 EHADLO CC[C@H](c1ccccc1)N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC001167510436 1024840759 /nfs/dbraw/zinc/84/07/59/1024840759.db2.gz WIJSMTNSVDRPKX-YADHBBJMSA-N 1 2 338.495 3.879 20 0 EHADLO F[C@@H]1CC2(CC[C@@H]1[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119756 1024844626 /nfs/dbraw/zinc/84/46/26/1024844626.db2.gz HRXZYPCWXCFQAU-OAGGEKHMSA-N 1 2 325.811 3.721 20 0 EHADLO F[C@@H]1CC2(CC[C@@H]1[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119756 1024844648 /nfs/dbraw/zinc/84/46/48/1024844648.db2.gz HRXZYPCWXCFQAU-OAGGEKHMSA-N 1 2 325.811 3.721 20 0 EHADLO Cc1nc(N[C@H](c2ccccn2)C2CC2)c(Br)c(C)[nH+]1 ZINC000895795064 1024849610 /nfs/dbraw/zinc/84/96/10/1024849610.db2.gz AMNLKMGWXIWMJC-AWEZNQCLSA-N 1 2 333.233 3.814 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000514918858 1024887216 /nfs/dbraw/zinc/88/72/16/1024887216.db2.gz JRZVJGKPMKLTRP-WWGRRREGSA-N 1 2 344.846 3.514 20 0 EHADLO Cc1cc([C@@H]([NH2+]Cc2ccc(F)cn2)c2cccnc2)ccc1F ZINC000346572266 1024893032 /nfs/dbraw/zinc/89/30/32/1024893032.db2.gz QUCVXEDHMALTSW-LJQANCHMSA-N 1 2 325.362 3.942 20 0 EHADLO CCC[N@H+](Cc1nnc2n1CCOC2)[C@H](C)c1cc2ccccc2o1 ZINC000281325100 1024900281 /nfs/dbraw/zinc/90/02/81/1024900281.db2.gz PMAOPAWSNZMZFI-CQSZACIVSA-N 1 2 340.427 3.528 20 0 EHADLO CCC[N@@H+](Cc1nnc2n1CCOC2)[C@H](C)c1cc2ccccc2o1 ZINC000281325100 1024900283 /nfs/dbraw/zinc/90/02/83/1024900283.db2.gz PMAOPAWSNZMZFI-CQSZACIVSA-N 1 2 340.427 3.528 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000071954370 1024923660 /nfs/dbraw/zinc/92/36/60/1024923660.db2.gz BBSBFHOAJHVHGX-HNNXBMFYSA-N 1 2 346.858 3.528 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000071954370 1024923666 /nfs/dbraw/zinc/92/36/66/1024923666.db2.gz BBSBFHOAJHVHGX-HNNXBMFYSA-N 1 2 346.858 3.528 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105353970 1024926378 /nfs/dbraw/zinc/92/63/78/1024926378.db2.gz PZJAOEYDNACDAI-UHFFFAOYSA-N 1 2 328.416 3.539 20 0 EHADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618376 1024930149 /nfs/dbraw/zinc/93/01/49/1024930149.db2.gz YPUMEHPSGZHFOA-CWVNLOTRSA-N 1 2 343.421 3.522 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](c4cccs4)C3)cc(=O)oc2c1 ZINC000157655656 1025002594 /nfs/dbraw/zinc/00/25/94/1025002594.db2.gz VCWNDIYLMNJPMP-QGZVFWFLSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](c4cccs4)C3)cc(=O)oc2c1 ZINC000157655656 1025002603 /nfs/dbraw/zinc/00/26/03/1025002603.db2.gz VCWNDIYLMNJPMP-QGZVFWFLSA-N 1 2 341.432 3.736 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@H]1CCn2c[nH+]cc2C1 ZINC000151931831 1025006494 /nfs/dbraw/zinc/00/64/94/1025006494.db2.gz HQWYYYHBDJPYCQ-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474468487 1025017135 /nfs/dbraw/zinc/01/71/35/1025017135.db2.gz BDDWJUWZBPYPLL-MCIONIFRSA-N 1 2 337.460 3.516 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3ccc(F)c(F)c3F)[C@@H]2C(C)C)C1 ZINC000895990740 1025033981 /nfs/dbraw/zinc/03/39/81/1025033981.db2.gz XGTAEQMZUIRBMZ-MRXNPFEDSA-N 1 2 343.389 3.713 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3ccc(F)c(F)c3F)[C@@H]2C(C)C)C1 ZINC000895990740 1025033997 /nfs/dbraw/zinc/03/39/97/1025033997.db2.gz XGTAEQMZUIRBMZ-MRXNPFEDSA-N 1 2 343.389 3.713 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1Cl ZINC000515121293 1025035584 /nfs/dbraw/zinc/03/55/84/1025035584.db2.gz DUIUYDXLTUDQBL-UHFFFAOYSA-N 1 2 330.859 3.787 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1Cl ZINC000515121293 1025035593 /nfs/dbraw/zinc/03/55/93/1025035593.db2.gz DUIUYDXLTUDQBL-UHFFFAOYSA-N 1 2 330.859 3.787 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435665227 1025056964 /nfs/dbraw/zinc/05/69/64/1025056964.db2.gz UOZSQEUTFRNQRZ-ATZDWAIDSA-N 1 2 345.389 3.585 20 0 EHADLO C[N@H+](Cc1ccco1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000113252133 1025058346 /nfs/dbraw/zinc/05/83/46/1025058346.db2.gz YBKCYTOFEBCNAG-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccco1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000113252133 1025058356 /nfs/dbraw/zinc/05/83/56/1025058356.db2.gz YBKCYTOFEBCNAG-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO O[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C1CCCCC1 ZINC000896019278 1025081834 /nfs/dbraw/zinc/08/18/34/1025081834.db2.gz DWBXRQANPICESS-KRWDZBQOSA-N 1 2 338.411 3.595 20 0 EHADLO c1coc(C[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]2CCCO2)c1 ZINC000425404743 1025087148 /nfs/dbraw/zinc/08/71/48/1025087148.db2.gz KHLVILXDKCMMNS-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO c1coc(C[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]2CCCO2)c1 ZINC000425404743 1025087156 /nfs/dbraw/zinc/08/71/56/1025087156.db2.gz KHLVILXDKCMMNS-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152015968 1025095530 /nfs/dbraw/zinc/09/55/30/1025095530.db2.gz ULJWTTRPMSDVSR-ZDUSSCGKSA-N 1 2 329.469 3.975 20 0 EHADLO COc1ccc2ncc(Cl)c(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000892159085 1025102613 /nfs/dbraw/zinc/10/26/13/1025102613.db2.gz GVDVJEOXRRDZDU-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO CC1(C)CO[C@@H](CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000896087296 1025131772 /nfs/dbraw/zinc/13/17/72/1025131772.db2.gz LGWQSGUHAVXCIG-INIZCTEOSA-N 1 2 338.411 3.670 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCN2CCc3ccccc32)cs1 ZINC000428241186 1025148995 /nfs/dbraw/zinc/14/89/95/1025148995.db2.gz DFCVCSRELRAPOK-HNNXBMFYSA-N 1 2 345.512 3.735 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCN2CCc3ccccc32)cs1 ZINC000428241186 1025149001 /nfs/dbraw/zinc/14/90/01/1025149001.db2.gz DFCVCSRELRAPOK-HNNXBMFYSA-N 1 2 345.512 3.735 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000346824149 1025152827 /nfs/dbraw/zinc/15/28/27/1025152827.db2.gz LRSBJLQANBZKCH-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO FC(F)(F)c1ncc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000443985511 1025160281 /nfs/dbraw/zinc/16/02/81/1025160281.db2.gz GVSMZRJBABKBTE-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO FC(F)(F)c1ncc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000443988462 1025163915 /nfs/dbraw/zinc/16/39/15/1025163915.db2.gz ZVDDNDOVZHDDMI-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390704 1025163920 /nfs/dbraw/zinc/16/39/20/1025163920.db2.gz QSMNQRTUVYKDIQ-MGPQQGTHSA-N 1 2 336.505 3.780 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390704 1025163924 /nfs/dbraw/zinc/16/39/24/1025163924.db2.gz QSMNQRTUVYKDIQ-MGPQQGTHSA-N 1 2 336.505 3.780 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)c2ccccc2Cl)c[nH+]1 ZINC000896145137 1025172820 /nfs/dbraw/zinc/17/28/20/1025172820.db2.gz YVVBQNLUKNYVPW-UHFFFAOYSA-N 1 2 333.863 3.674 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3NCC4)CCO2)cc1F ZINC000346840139 1025228678 /nfs/dbraw/zinc/22/86/78/1025228678.db2.gz ZOLMODCHERSBON-GOSISDBHSA-N 1 2 330.378 3.506 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3NCC4)CCO2)cc1F ZINC000346840139 1025228688 /nfs/dbraw/zinc/22/86/88/1025228688.db2.gz ZOLMODCHERSBON-GOSISDBHSA-N 1 2 330.378 3.506 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000346879553 1025249547 /nfs/dbraw/zinc/24/95/47/1025249547.db2.gz IUFZDFKYEJJPQB-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)C(=O)OC(C)(C)C ZINC000521232481 1025286779 /nfs/dbraw/zinc/28/67/79/1025286779.db2.gz OIQHWUCUUASXFJ-UKRRQHHQSA-N 1 2 331.460 3.594 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000611576015 1025293978 /nfs/dbraw/zinc/29/39/78/1025293978.db2.gz XPHSYZCUOCPQHN-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000611576015 1025293991 /nfs/dbraw/zinc/29/39/91/1025293991.db2.gz XPHSYZCUOCPQHN-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO CCc1nnc([C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CCO2)[nH]1 ZINC000129104051 1033272457 /nfs/dbraw/zinc/27/24/57/1033272457.db2.gz KJHPYOZSQWKGEP-LJQANCHMSA-N 1 2 348.450 3.608 20 0 EHADLO CCc1nnc([C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CCO2)[nH]1 ZINC000129104051 1033272466 /nfs/dbraw/zinc/27/24/66/1033272466.db2.gz KJHPYOZSQWKGEP-LJQANCHMSA-N 1 2 348.450 3.608 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000611576013 1025295566 /nfs/dbraw/zinc/29/55/66/1025295566.db2.gz XPHSYZCUOCPQHN-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000611576013 1025295573 /nfs/dbraw/zinc/29/55/73/1025295573.db2.gz XPHSYZCUOCPQHN-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3ccnc4ccccc34)cc2[nH+]1 ZINC000346964754 1025359670 /nfs/dbraw/zinc/35/96/70/1025359670.db2.gz NEFXPJRWYBJSPH-UHFFFAOYSA-N 1 2 330.391 3.991 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3cnccc3C2)cc1OC(F)(F)F ZINC001143437531 1025364560 /nfs/dbraw/zinc/36/45/60/1025364560.db2.gz YUHNXVDKQNBRPC-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3cnccc3C2)cc1OC(F)(F)F ZINC001143437531 1025364576 /nfs/dbraw/zinc/36/45/76/1025364576.db2.gz YUHNXVDKQNBRPC-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO CCc1noc([C@H]2CC[C@@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896345505 1025367701 /nfs/dbraw/zinc/36/77/01/1025367701.db2.gz RYTCHNHHGCGJJC-UONOGXRCSA-N 1 2 327.432 3.746 20 0 EHADLO Cc1noc(C)c1C[NH+](CCc1ccccn1)Cc1c(C)noc1C ZINC000346974469 1025373192 /nfs/dbraw/zinc/37/31/92/1025373192.db2.gz YMWIUMWDYCKTFC-UHFFFAOYSA-N 1 2 340.427 3.536 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(C(F)(F)F)cc1 ZINC000346976151 1025375197 /nfs/dbraw/zinc/37/51/97/1025375197.db2.gz ROYHLSSAFYDLEJ-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(C(F)(F)F)cc1 ZINC000346976151 1025375207 /nfs/dbraw/zinc/37/52/07/1025375207.db2.gz ROYHLSSAFYDLEJ-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Sc1ccccc1 ZINC000347000700 1025376383 /nfs/dbraw/zinc/37/63/83/1025376383.db2.gz ZUUKGKLNKLCWQG-INIZCTEOSA-N 1 2 345.512 3.865 20 0 EHADLO O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152219703 1025377826 /nfs/dbraw/zinc/37/78/26/1025377826.db2.gz RUOFNWNHVFMLJM-YJBOKZPZSA-N 1 2 343.858 3.757 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCC[C@@H](C)C3)cn2c1 ZINC000505758617 1025382682 /nfs/dbraw/zinc/38/26/82/1025382682.db2.gz OZYMODXTQIYBRP-PBHICJAKSA-N 1 2 345.512 3.913 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000346985532 1025385186 /nfs/dbraw/zinc/38/51/86/1025385186.db2.gz OXKGNDMGDJWLTO-ORYQWCPZSA-N 1 2 345.446 3.597 20 0 EHADLO C[C@@H](Cc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)c1ccccc1 ZINC000346997309 1025400274 /nfs/dbraw/zinc/40/02/74/1025400274.db2.gz WWUITKIPVUKHKN-AWEZNQCLSA-N 1 2 331.379 3.664 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nc([C@H](C)OCC)no2)C(C)C)cc1 ZINC000347036210 1025421359 /nfs/dbraw/zinc/42/13/59/1025421359.db2.gz FRXUUYMHDMUPAW-HNNXBMFYSA-N 1 2 347.459 3.976 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nc([C@H](C)OCC)no2)C(C)C)cc1 ZINC000347036210 1025421367 /nfs/dbraw/zinc/42/13/67/1025421367.db2.gz FRXUUYMHDMUPAW-HNNXBMFYSA-N 1 2 347.459 3.976 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)n1 ZINC000425485381 1025444440 /nfs/dbraw/zinc/44/44/40/1025444440.db2.gz WUJGHXGLPYXOJW-CQSZACIVSA-N 1 2 337.464 3.669 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)n1 ZINC000425485381 1025444446 /nfs/dbraw/zinc/44/44/46/1025444446.db2.gz WUJGHXGLPYXOJW-CQSZACIVSA-N 1 2 337.464 3.669 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCC1CCCCC1 ZINC000474773403 1025445927 /nfs/dbraw/zinc/44/59/27/1025445927.db2.gz IDPAKGUXPNFDBP-UHFFFAOYSA-N 1 2 335.398 3.710 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)NC1CCCCCC1 ZINC000522470843 1025449800 /nfs/dbraw/zinc/44/98/00/1025449800.db2.gz QPZRQFYUQAHISR-SFHVURJKSA-N 1 2 332.513 3.616 20 0 EHADLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)NC1CCCCCC1 ZINC000522470843 1025449808 /nfs/dbraw/zinc/44/98/08/1025449808.db2.gz QPZRQFYUQAHISR-SFHVURJKSA-N 1 2 332.513 3.616 20 0 EHADLO CC(C)(C)OCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436181217 1025451604 /nfs/dbraw/zinc/45/16/04/1025451604.db2.gz DNRWQGSAGQMRTE-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO CC(C)CC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000442757415 1025457685 /nfs/dbraw/zinc/45/76/85/1025457685.db2.gz GVDTUPIVHDQMTB-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CC(C)CC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000442757415 1025457695 /nfs/dbraw/zinc/45/76/95/1025457695.db2.gz GVDTUPIVHDQMTB-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)OC ZINC000347064537 1025476402 /nfs/dbraw/zinc/47/64/02/1025476402.db2.gz ZBVDYMXXGPINCZ-LJQANCHMSA-N 1 2 343.471 3.503 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H]1C1CCCC1 ZINC000896478830 1025485001 /nfs/dbraw/zinc/48/50/01/1025485001.db2.gz CLGASXWSDKUDBL-RBUKOAKNSA-N 1 2 338.455 3.599 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC000521582948 1025497139 /nfs/dbraw/zinc/49/71/39/1025497139.db2.gz UZFJEXCEZBIHNF-GOSISDBHSA-N 1 2 343.471 3.761 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)cs2)o1 ZINC000347080257 1025500765 /nfs/dbraw/zinc/50/07/65/1025500765.db2.gz IXRBWWMJZPXYFW-INIZCTEOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)cs2)o1 ZINC000347080257 1025500774 /nfs/dbraw/zinc/50/07/74/1025500774.db2.gz IXRBWWMJZPXYFW-INIZCTEOSA-N 1 2 341.436 3.760 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000436263333 1025520433 /nfs/dbraw/zinc/52/04/33/1025520433.db2.gz GTGRQQGTXHYAJA-NSHDSACASA-N 1 2 328.485 3.550 20 0 EHADLO CC1=CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000436263333 1025520437 /nfs/dbraw/zinc/52/04/37/1025520437.db2.gz GTGRQQGTXHYAJA-NSHDSACASA-N 1 2 328.485 3.550 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000281818714 1025532932 /nfs/dbraw/zinc/53/29/32/1025532932.db2.gz OPJUZAJIXARXNA-JKSUJKDBSA-N 1 2 344.846 3.508 20 0 EHADLO CCOc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)ccc1OC ZINC000281826560 1025544421 /nfs/dbraw/zinc/54/44/21/1025544421.db2.gz WYVVVZKCRQGFTH-UHFFFAOYSA-N 1 2 343.320 3.940 20 0 EHADLO Fc1cc2[nH+]ccc(N3C[C@@H]4C[C@H]3CS4)c2cc1Br ZINC000413457845 1025566450 /nfs/dbraw/zinc/56/64/50/1025566450.db2.gz ONCQBHPCNBONFC-IUCAKERBSA-N 1 2 339.233 3.831 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)o1 ZINC000303670207 1025598556 /nfs/dbraw/zinc/59/85/56/1025598556.db2.gz OWYYDDBWTQCVHT-INIZCTEOSA-N 1 2 331.437 3.665 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)o1 ZINC000303670207 1025598565 /nfs/dbraw/zinc/59/85/65/1025598565.db2.gz OWYYDDBWTQCVHT-INIZCTEOSA-N 1 2 331.437 3.665 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)o1 ZINC000303670210 1025599241 /nfs/dbraw/zinc/59/92/41/1025599241.db2.gz OWYYDDBWTQCVHT-MRXNPFEDSA-N 1 2 331.437 3.665 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)o1 ZINC000303670210 1025599251 /nfs/dbraw/zinc/59/92/51/1025599251.db2.gz OWYYDDBWTQCVHT-MRXNPFEDSA-N 1 2 331.437 3.665 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC000451191110 1025660134 /nfs/dbraw/zinc/66/01/34/1025660134.db2.gz UGTRMZRTQXXBDR-UHFFFAOYSA-N 1 2 339.483 3.795 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1OC(F)(F)F ZINC001143443385 1025665161 /nfs/dbraw/zinc/66/51/61/1025665161.db2.gz PPYNXTZYTJOGGN-AWEZNQCLSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1OC(F)(F)F ZINC001143443385 1025665168 /nfs/dbraw/zinc/66/51/68/1025665168.db2.gz PPYNXTZYTJOGGN-AWEZNQCLSA-N 1 2 341.308 3.851 20 0 EHADLO C[C@H](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)CC(C)(C)C ZINC000443013052 1025665599 /nfs/dbraw/zinc/66/55/99/1025665599.db2.gz VEVZGWIBJHGHEL-OAHLLOKOSA-N 1 2 334.508 3.524 20 0 EHADLO CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000521782277 1025671875 /nfs/dbraw/zinc/67/18/75/1025671875.db2.gz QHLJBOULFDFGEH-IBGZPJMESA-N 1 2 340.471 3.772 20 0 EHADLO COc1cccc2c1CC[C@@H]2NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000347238521 1025707642 /nfs/dbraw/zinc/70/76/42/1025707642.db2.gz RJESPQIRJNTDFI-SFHVURJKSA-N 1 2 347.418 3.607 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H](c2cccs2)C2CC2)cs1)C1CC1 ZINC000342469898 1025712483 /nfs/dbraw/zinc/71/24/83/1025712483.db2.gz HDCYDWSUWLPDFB-MRXNPFEDSA-N 1 2 347.509 3.961 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3c(C4CCC4)cnn3C)co2)cc1 ZINC000657385292 1025743419 /nfs/dbraw/zinc/74/34/19/1025743419.db2.gz XOTHVPKOLLTUEI-UHFFFAOYSA-N 1 2 336.439 3.941 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cccc(F)c2Cl)C[C@@H]1c1ccccc1 ZINC000451282476 1025757267 /nfs/dbraw/zinc/75/72/67/1025757267.db2.gz LPBHJXXGGDIQCJ-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1c1ccccc1 ZINC000451282476 1025757276 /nfs/dbraw/zinc/75/72/76/1025757276.db2.gz LPBHJXXGGDIQCJ-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469764780 1025757412 /nfs/dbraw/zinc/75/74/12/1025757412.db2.gz PUTOMGMEOQSOTM-ZJPYXAASSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348264419 1025761186 /nfs/dbraw/zinc/76/11/86/1025761186.db2.gz DPJJNBHDJSEUAG-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCC1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000472213805 1025824688 /nfs/dbraw/zinc/82/46/88/1025824688.db2.gz KGGPTJBCBQGUFR-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000474905056 1025835529 /nfs/dbraw/zinc/83/55/29/1025835529.db2.gz FBMWEAPQQGRLMU-RDTXWAMCSA-N 1 2 341.455 3.886 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000684820838 1025856807 /nfs/dbraw/zinc/85/68/07/1025856807.db2.gz PIZCKHHXFXEFKO-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347306556 1025859312 /nfs/dbraw/zinc/85/93/12/1025859312.db2.gz MJZWIXXKXALFQY-CQSZACIVSA-N 1 2 335.448 3.596 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347306556 1025859325 /nfs/dbraw/zinc/85/93/25/1025859325.db2.gz MJZWIXXKXALFQY-CQSZACIVSA-N 1 2 335.448 3.596 20 0 EHADLO Cc1[nH]c(CNC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)[nH+]c1C ZINC000896905917 1025873707 /nfs/dbraw/zinc/87/37/07/1025873707.db2.gz OOQRJXPFBMFZAC-YEORSEQZSA-N 1 2 346.500 3.636 20 0 EHADLO Cc1[nH]c(CNC(=O)C(C)(C)c2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000896906584 1025883828 /nfs/dbraw/zinc/88/38/28/1025883828.db2.gz VSXZDCKCYPBUQU-UHFFFAOYSA-N 1 2 339.361 3.639 20 0 EHADLO CC(C)COc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342506487 1025951243 /nfs/dbraw/zinc/95/12/43/1025951243.db2.gz PYDIKKDRJVMUFO-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2ccoc2c1 ZINC000443377176 1025968907 /nfs/dbraw/zinc/96/89/07/1025968907.db2.gz ZWSOJBHRLFAWOI-UHFFFAOYSA-N 1 2 332.363 3.940 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000896919581 1026024940 /nfs/dbraw/zinc/02/49/40/1026024940.db2.gz STIYOCLVSXEYDH-UONOGXRCSA-N 1 2 338.238 3.753 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)no1 ZINC000451506157 1026026247 /nfs/dbraw/zinc/02/62/47/1026026247.db2.gz UIIRSRFIENHUCK-HOTGVXAUSA-N 1 2 329.444 3.667 20 0 EHADLO C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451485494 1026029650 /nfs/dbraw/zinc/02/96/50/1026029650.db2.gz BCCBRQIKUUEDSE-QRWLVFNGSA-N 1 2 329.488 3.752 20 0 EHADLO c1nn2c(c1CNc1ccc(-c3[nH+]cc4n3CCCC4)cc1)CCC2 ZINC000657406907 1026044412 /nfs/dbraw/zinc/04/44/12/1026044412.db2.gz MCUKDCQZQHTELU-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO CC(C)[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000103073067 1026044437 /nfs/dbraw/zinc/04/44/37/1026044437.db2.gz QTWGPTGIXZUNCP-OAHLLOKOSA-N 1 2 343.496 3.899 20 0 EHADLO CC(C)[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000103073067 1026044455 /nfs/dbraw/zinc/04/44/55/1026044455.db2.gz QTWGPTGIXZUNCP-OAHLLOKOSA-N 1 2 343.496 3.899 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc2ccccc2c1O ZINC000436693340 1026053299 /nfs/dbraw/zinc/05/32/99/1026053299.db2.gz SXAUYCAKWKOYTP-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000051644283 1026063495 /nfs/dbraw/zinc/06/34/95/1026063495.db2.gz KALOSBPLUJYQSX-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cocn1 ZINC000395056316 1026066133 /nfs/dbraw/zinc/06/61/33/1026066133.db2.gz BYVROIXHAODTDW-INIZCTEOSA-N 1 2 329.400 3.799 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451525197 1026078166 /nfs/dbraw/zinc/07/81/66/1026078166.db2.gz FQFOANINJDJRBA-ABAIWWIYSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451525197 1026078183 /nfs/dbraw/zinc/07/81/83/1026078183.db2.gz FQFOANINJDJRBA-ABAIWWIYSA-N 1 2 345.270 3.679 20 0 EHADLO FC[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000413477387 1026081826 /nfs/dbraw/zinc/08/18/26/1026081826.db2.gz GGKRFSUAULAHCV-LLVKDONJSA-N 1 2 339.208 3.562 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561679 1026085190 /nfs/dbraw/zinc/08/51/90/1026085190.db2.gz ILVZDEGPODLTNL-BBRMVZONSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561679 1026085208 /nfs/dbraw/zinc/08/52/08/1026085208.db2.gz ILVZDEGPODLTNL-BBRMVZONSA-N 1 2 338.879 3.722 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H]1C ZINC000451541748 1026087886 /nfs/dbraw/zinc/08/78/86/1026087886.db2.gz MEAPLGLSGFLVLV-ZKYQVNSYSA-N 1 2 349.500 3.822 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H]1C ZINC000451541748 1026087909 /nfs/dbraw/zinc/08/79/09/1026087909.db2.gz MEAPLGLSGFLVLV-ZKYQVNSYSA-N 1 2 349.500 3.822 20 0 EHADLO CCC[C@@H](OCC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821507 1026091493 /nfs/dbraw/zinc/09/14/93/1026091493.db2.gz SSFAZTOYHNPBGV-MRXNPFEDSA-N 1 2 326.400 3.724 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(Cl)nc([C@H]3CCCO3)n2)[nH+]c1C ZINC000895195964 1026095222 /nfs/dbraw/zinc/09/52/22/1026095222.db2.gz GWWRHLULBCQRRC-QWHCGFSZSA-N 1 2 347.850 3.663 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000511112722 1026104211 /nfs/dbraw/zinc/10/42/11/1026104211.db2.gz YGEKDMWXPDCCSX-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000511112722 1026104223 /nfs/dbraw/zinc/10/42/23/1026104223.db2.gz YGEKDMWXPDCCSX-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1(C)C ZINC000451555036 1026107346 /nfs/dbraw/zinc/10/73/46/1026107346.db2.gz QQEGUIBCWKHHGC-AWEZNQCLSA-N 1 2 342.270 3.888 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1(C)C ZINC000451555036 1026107360 /nfs/dbraw/zinc/10/73/60/1026107360.db2.gz QQEGUIBCWKHHGC-AWEZNQCLSA-N 1 2 342.270 3.888 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451579827 1026130193 /nfs/dbraw/zinc/13/01/93/1026130193.db2.gz ZCKUKXMBYKWDCA-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000451579827 1026130199 /nfs/dbraw/zinc/13/01/99/1026130199.db2.gz ZCKUKXMBYKWDCA-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000657419094 1026150616 /nfs/dbraw/zinc/15/06/16/1026150616.db2.gz OEBALVOLRMBWNK-SFHVURJKSA-N 1 2 326.415 3.643 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000657419094 1026150627 /nfs/dbraw/zinc/15/06/27/1026150627.db2.gz OEBALVOLRMBWNK-SFHVURJKSA-N 1 2 326.415 3.643 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)c1 ZINC000657421246 1026173957 /nfs/dbraw/zinc/17/39/57/1026173957.db2.gz FGGKIJAYRYNBMO-OAQYLSRUSA-N 1 2 332.451 3.876 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1C[C@@H]1c1ccccc1 ZINC000342541658 1026209267 /nfs/dbraw/zinc/20/92/67/1026209267.db2.gz IOXIHPSPTCSDEK-RTBURBONSA-N 1 2 339.483 3.878 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC000342541650 1026209326 /nfs/dbraw/zinc/20/93/26/1026209326.db2.gz IOXIHPSPTCSDEK-OALUTQOASA-N 1 2 339.483 3.878 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC[C@H]2C2OCCO2)c1 ZINC000897004405 1026214769 /nfs/dbraw/zinc/21/47/69/1026214769.db2.gz ILYURYZFMMADFG-AWEZNQCLSA-N 1 2 338.329 3.595 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000451688029 1026229300 /nfs/dbraw/zinc/22/93/00/1026229300.db2.gz JDKZFWRJEUTTOC-RISCZKNCSA-N 1 2 348.796 3.792 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152524700 1026286450 /nfs/dbraw/zinc/28/64/50/1026286450.db2.gz SEOGPIMWHQLRQS-QFBILLFUSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(OC(C)C)c1 ZINC000530799520 1026297693 /nfs/dbraw/zinc/29/76/93/1026297693.db2.gz IQQCJZIUNITKMM-UHFFFAOYSA-N 1 2 349.434 3.898 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000611606790 1026301784 /nfs/dbraw/zinc/30/17/84/1026301784.db2.gz RZYZDMRZDIBBJI-LJQANCHMSA-N 1 2 342.414 3.805 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000611606790 1026301797 /nfs/dbraw/zinc/30/17/97/1026301797.db2.gz RZYZDMRZDIBBJI-LJQANCHMSA-N 1 2 342.414 3.805 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858960 1026330957 /nfs/dbraw/zinc/33/09/57/1026330957.db2.gz SKODFBSAFNXFCS-UGSOOPFHSA-N 1 2 335.407 3.954 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858960 1026330966 /nfs/dbraw/zinc/33/09/66/1026330966.db2.gz SKODFBSAFNXFCS-UGSOOPFHSA-N 1 2 335.407 3.954 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N(C1CC1)C1CCCC1 ZINC000451841484 1026336885 /nfs/dbraw/zinc/33/68/85/1026336885.db2.gz DXAKKFHTQSXIFN-IBGZPJMESA-N 1 2 328.456 3.740 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N(C1CC1)C1CCCC1 ZINC000451841484 1026336896 /nfs/dbraw/zinc/33/68/96/1026336896.db2.gz DXAKKFHTQSXIFN-IBGZPJMESA-N 1 2 328.456 3.740 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451844075 1026337502 /nfs/dbraw/zinc/33/75/02/1026337502.db2.gz SMWLOEWGUAPAPN-FQEVSTJZSA-N 1 2 338.451 3.855 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451844075 1026337509 /nfs/dbraw/zinc/33/75/09/1026337509.db2.gz SMWLOEWGUAPAPN-FQEVSTJZSA-N 1 2 338.451 3.855 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841620 1026338221 /nfs/dbraw/zinc/33/82/21/1026338221.db2.gz QHTBZJXFPSEFSN-UIBIWLFHSA-N 1 2 330.472 3.700 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841620 1026338233 /nfs/dbraw/zinc/33/82/33/1026338233.db2.gz QHTBZJXFPSEFSN-UIBIWLFHSA-N 1 2 330.472 3.700 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@H]2CCCC[C@H]21 ZINC000451846214 1026339386 /nfs/dbraw/zinc/33/93/86/1026339386.db2.gz WESGYILUJHQNAK-HLIPFELVSA-N 1 2 342.483 3.988 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@H]2CCCC[C@H]21 ZINC000451846214 1026339397 /nfs/dbraw/zinc/33/93/97/1026339397.db2.gz WESGYILUJHQNAK-HLIPFELVSA-N 1 2 342.483 3.988 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)n1 ZINC000451935885 1026381952 /nfs/dbraw/zinc/38/19/52/1026381952.db2.gz XQPOSWVBIJXOGA-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(OC2CCCCC2)cc1)n1cc[nH+]c1 ZINC000582488747 1026409905 /nfs/dbraw/zinc/40/99/05/1026409905.db2.gz PJLGWGQMOPJFRY-MRXNPFEDSA-N 1 2 341.455 3.862 20 0 EHADLO COc1ccc(Cl)cc1NC(=S)NCc1c[nH+]c(C)cc1C ZINC000840826045 1026410610 /nfs/dbraw/zinc/41/06/10/1026410610.db2.gz FSDAUUXDRRSYOT-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO CC(C)OC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000530925942 1026427623 /nfs/dbraw/zinc/42/76/23/1026427623.db2.gz YGPIEXNDEYOREA-UHFFFAOYSA-N 1 2 331.485 3.698 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2C)n1 ZINC000451974817 1026430598 /nfs/dbraw/zinc/43/05/98/1026430598.db2.gz SYKUGFJBHFMJHZ-OAHLLOKOSA-N 1 2 333.432 3.675 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)n1 ZINC000451974817 1026430600 /nfs/dbraw/zinc/43/06/00/1026430600.db2.gz SYKUGFJBHFMJHZ-OAHLLOKOSA-N 1 2 333.432 3.675 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511140342 1026441344 /nfs/dbraw/zinc/44/13/44/1026441344.db2.gz SXOXWMSPWOKHSL-LBPRGKRZSA-N 1 2 347.377 3.790 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511140342 1026441351 /nfs/dbraw/zinc/44/13/51/1026441351.db2.gz SXOXWMSPWOKHSL-LBPRGKRZSA-N 1 2 347.377 3.790 20 0 EHADLO CC[NH+]1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000057539247 1026464347 /nfs/dbraw/zinc/46/43/47/1026464347.db2.gz YBQUGENMPYANPG-UHFFFAOYSA-N 1 2 330.478 3.894 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@](=O)C1 ZINC000277662667 1026472983 /nfs/dbraw/zinc/47/29/83/1026472983.db2.gz ZXZIAKSAGCZVLJ-XMHCIUCPSA-N 1 2 337.872 3.800 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@](=O)C1 ZINC000277662667 1026472986 /nfs/dbraw/zinc/47/29/86/1026472986.db2.gz ZXZIAKSAGCZVLJ-XMHCIUCPSA-N 1 2 337.872 3.800 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000152659883 1026482096 /nfs/dbraw/zinc/48/20/96/1026482096.db2.gz YFKIBXJTBJITJZ-LLVKDONJSA-N 1 2 332.329 3.535 20 0 EHADLO Cc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000452093488 1026484690 /nfs/dbraw/zinc/48/46/90/1026484690.db2.gz UNNGVNVPSWGBOX-ZDUSSCGKSA-N 1 2 337.379 3.625 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 ZINC000024886510 1026510606 /nfs/dbraw/zinc/51/06/06/1026510606.db2.gz BGEUWUVODJVNPG-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 ZINC000024886510 1026510617 /nfs/dbraw/zinc/51/06/17/1026510617.db2.gz BGEUWUVODJVNPG-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475368660 1026527546 /nfs/dbraw/zinc/52/75/46/1026527546.db2.gz JOVASBTVGYXZET-UHFFFAOYSA-N 1 2 330.476 3.938 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342644340 1026548994 /nfs/dbraw/zinc/54/89/94/1026548994.db2.gz RTODXWONTRECNJ-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342644340 1026549007 /nfs/dbraw/zinc/54/90/07/1026549007.db2.gz RTODXWONTRECNJ-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO COC1(C[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CCC1 ZINC000182655495 1026564275 /nfs/dbraw/zinc/56/42/75/1026564275.db2.gz GHWOULVZNIOJHH-GOSISDBHSA-N 1 2 349.434 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342647880 1026566791 /nfs/dbraw/zinc/56/67/91/1026566791.db2.gz VIPUTJRDPNQXOJ-NSHDSACASA-N 1 2 342.317 3.637 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342647880 1026566799 /nfs/dbraw/zinc/56/67/99/1026566799.db2.gz VIPUTJRDPNQXOJ-NSHDSACASA-N 1 2 342.317 3.637 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684912200 1026571302 /nfs/dbraw/zinc/57/13/02/1026571302.db2.gz RNTCBZNBNQVNFA-INIZCTEOSA-N 1 2 328.460 3.534 20 0 EHADLO CCc1cccc(C)c1NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531111597 1026584980 /nfs/dbraw/zinc/58/49/80/1026584980.db2.gz XATSJARUCVDFGM-UHFFFAOYSA-N 1 2 335.407 3.761 20 0 EHADLO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000277699957 1026610466 /nfs/dbraw/zinc/61/04/66/1026610466.db2.gz HRBDUMGGNWKFQQ-MRXNPFEDSA-N 1 2 345.270 3.559 20 0 EHADLO CCC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000277699957 1026610473 /nfs/dbraw/zinc/61/04/73/1026610473.db2.gz HRBDUMGGNWKFQQ-MRXNPFEDSA-N 1 2 345.270 3.559 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1F ZINC000122637676 1026629813 /nfs/dbraw/zinc/62/98/13/1026629813.db2.gz WSJNMPGGHPWJJG-UHFFFAOYSA-N 1 2 337.398 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000277707638 1026642661 /nfs/dbraw/zinc/64/26/61/1026642661.db2.gz YLACXEXOXFAWJO-FOCLMDBBSA-N 1 2 343.446 3.927 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342675131 1026670591 /nfs/dbraw/zinc/67/05/91/1026670591.db2.gz JTPUMQSQGMWMMK-MOPGFXCFSA-N 1 2 348.450 3.936 20 0 EHADLO COc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000122771804 1026723167 /nfs/dbraw/zinc/72/31/67/1026723167.db2.gz DCVVZNLYKYSOIA-DNVCBOLYSA-N 1 2 349.434 3.768 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C)cc2OC(C)(C)C)n1 ZINC000925242813 1026727626 /nfs/dbraw/zinc/72/76/26/1026727626.db2.gz MICAINAOGMYMGS-AWEZNQCLSA-N 1 2 330.476 3.943 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000578067554 1026736187 /nfs/dbraw/zinc/73/61/87/1026736187.db2.gz UNOCQVULIQQACB-WFASDCNBSA-N 1 2 342.302 3.718 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000578067554 1026736200 /nfs/dbraw/zinc/73/62/00/1026736200.db2.gz UNOCQVULIQQACB-WFASDCNBSA-N 1 2 342.302 3.718 20 0 EHADLO c1ccc(-c2nsc(NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000301358665 1026775614 /nfs/dbraw/zinc/77/56/14/1026775614.db2.gz LGKKKXZUBHVYGF-UHFFFAOYSA-N 1 2 337.452 3.681 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H](O)c1ccsc1 ZINC000301367122 1026778403 /nfs/dbraw/zinc/77/84/03/1026778403.db2.gz OIBYNRONALCVHP-INIZCTEOSA-N 1 2 342.420 3.619 20 0 EHADLO C[C@H](CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1)n1cc[nH+]c1 ZINC000560338494 1026802176 /nfs/dbraw/zinc/80/21/76/1026802176.db2.gz BWRWVDRLVSPTCU-GFCCVEGCSA-N 1 2 325.416 3.647 20 0 EHADLO CC1(C)CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000531344595 1026831274 /nfs/dbraw/zinc/83/12/74/1026831274.db2.gz NQJFRDAWPDDWSN-UHFFFAOYSA-N 1 2 325.250 3.510 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000301436687 1026804943 /nfs/dbraw/zinc/80/49/43/1026804943.db2.gz KRXKGSQDCMGSJU-GFCCVEGCSA-N 1 2 336.892 3.637 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301444964 1026809232 /nfs/dbraw/zinc/80/92/32/1026809232.db2.gz NTPHPXQDFAKULM-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(-n2cccn2)cc1 ZINC000301444964 1026809244 /nfs/dbraw/zinc/80/92/44/1026809244.db2.gz NTPHPXQDFAKULM-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[C@@H](C)C1CCCCC1 ZINC000301481085 1026823137 /nfs/dbraw/zinc/82/31/37/1026823137.db2.gz DRPZGYPUXPERRK-IKGGRYGDSA-N 1 2 346.519 3.702 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@@H](C)C1CCCCC1 ZINC000301481085 1026823146 /nfs/dbraw/zinc/82/31/46/1026823146.db2.gz DRPZGYPUXPERRK-IKGGRYGDSA-N 1 2 346.519 3.702 20 0 EHADLO CCc1nc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)sc1C(C)(C)C ZINC000655437610 1026824112 /nfs/dbraw/zinc/82/41/12/1026824112.db2.gz UKRPHXZJVKEJMY-SNVBAGLBSA-N 1 2 332.473 3.785 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cs1 ZINC000115740518 1026843349 /nfs/dbraw/zinc/84/33/49/1026843349.db2.gz XCJADPZVFPEWSN-UHFFFAOYSA-N 1 2 333.432 3.653 20 0 EHADLO CC(=O)Nc1nc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cs1 ZINC000115740518 1026843359 /nfs/dbraw/zinc/84/33/59/1026843359.db2.gz XCJADPZVFPEWSN-UHFFFAOYSA-N 1 2 333.432 3.653 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2csc(N3CCCC3)n2)c1 ZINC000301536783 1026844469 /nfs/dbraw/zinc/84/44/69/1026844469.db2.gz JBAVRLVNXCFDBK-UHFFFAOYSA-N 1 2 342.390 3.812 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025416004 1026857486 /nfs/dbraw/zinc/85/74/86/1026857486.db2.gz DTBCMCDVHPLCBQ-NRFANRHFSA-N 1 2 331.419 3.708 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)c(C)s1 ZINC000684963229 1026864438 /nfs/dbraw/zinc/86/44/38/1026864438.db2.gz OFWBGZDWJSWBLD-VIFPVBQESA-N 1 2 345.390 3.947 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4cccnc43)c[nH+]2)C[C@H](C)O1 ZINC000684962103 1026868976 /nfs/dbraw/zinc/86/89/76/1026868976.db2.gz RFFFYSBPPJBTEY-RVKKMQEKSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(Cl)c2)CC1 ZINC000301631036 1026881200 /nfs/dbraw/zinc/88/12/00/1026881200.db2.gz SXKLCIJBSNMVPR-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO CC(C)OC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000531402763 1026884593 /nfs/dbraw/zinc/88/45/93/1026884593.db2.gz OSKRJPJDJGFRBH-UHFFFAOYSA-N 1 2 330.241 3.978 20 0 EHADLO Cc1cc[nH+]c(N2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1 ZINC000301663015 1026892142 /nfs/dbraw/zinc/89/21/42/1026892142.db2.gz YNBDKRPEJWGTIO-UHFFFAOYSA-N 1 2 338.842 3.918 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000452649327 1026898526 /nfs/dbraw/zinc/89/85/26/1026898526.db2.gz JVZNJJGQSSUKHM-OCCSQVGLSA-N 1 2 337.345 3.675 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC1CCN(C(=O)OC(C)C)CC1 ZINC000301739543 1026921047 /nfs/dbraw/zinc/92/10/47/1026921047.db2.gz WZPBBMCQAGJOCM-UHFFFAOYSA-N 1 2 327.428 3.965 20 0 EHADLO Nc1nc(N2CCC[C@H](c3nc4ccccc4o3)C2)[nH+]c2ccccc12 ZINC000301791510 1026940682 /nfs/dbraw/zinc/94/06/82/1026940682.db2.gz QWJYTMFDHNXSQZ-ZDUSSCGKSA-N 1 2 345.406 3.737 20 0 EHADLO CC(C)CC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000666003791 1026953598 /nfs/dbraw/zinc/95/35/98/1026953598.db2.gz LHPVSZIVURLZPA-MRXNPFEDSA-N 1 2 345.487 3.780 20 0 EHADLO Nc1nc(NCc2ccc(F)cc2Br)[nH+]c2ccccc12 ZINC000301901174 1026987553 /nfs/dbraw/zinc/98/75/53/1026987553.db2.gz ZVNSWUJZNPFJDR-UHFFFAOYSA-N 1 2 347.191 3.726 20 0 EHADLO Cc1c(Cl)ccc2ccc(N3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000302000612 1027020726 /nfs/dbraw/zinc/02/07/26/1027020726.db2.gz RNRAOJQYXAOLMW-UHFFFAOYSA-N 1 2 338.842 3.918 20 0 EHADLO O=C1COc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2N1 ZINC000582716755 1027028375 /nfs/dbraw/zinc/02/83/75/1027028375.db2.gz GIDXMRGWVFPLCZ-UHFFFAOYSA-N 1 2 337.206 3.614 20 0 EHADLO Cc1nc(N(Cc2ccco2)Cc2cccnc2)c2c([nH+]1)CCCC2 ZINC000302060273 1027038332 /nfs/dbraw/zinc/03/83/32/1027038332.db2.gz BHDZSBFOYJEVFD-UHFFFAOYSA-N 1 2 334.423 3.859 20 0 EHADLO Cc1nc(NC[C@@H](O)c2ccc(OC(C)C)cc2)c2c([nH+]1)CCCC2 ZINC000302064415 1027040975 /nfs/dbraw/zinc/04/09/75/1027040975.db2.gz VJTNUTGEMJVLPH-LJQANCHMSA-N 1 2 341.455 3.597 20 0 EHADLO Clc1ccccc1-c1csc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000302075686 1027044562 /nfs/dbraw/zinc/04/45/62/1027044562.db2.gz IWXIZILIJUEFOD-CYBMUJFWSA-N 1 2 349.887 3.739 20 0 EHADLO Clc1ccccc1-c1csc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000302075686 1027044571 /nfs/dbraw/zinc/04/45/71/1027044571.db2.gz IWXIZILIJUEFOD-CYBMUJFWSA-N 1 2 349.887 3.739 20 0 EHADLO CC[C@@H](SC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277825810 1027060400 /nfs/dbraw/zinc/06/04/00/1027060400.db2.gz YHMAQEPVUTWOIK-MRXNPFEDSA-N 1 2 329.469 3.967 20 0 EHADLO Cc1c[nH+]c(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)n1C ZINC000342789118 1027065523 /nfs/dbraw/zinc/06/55/23/1027065523.db2.gz XQECTMKEGXCOTC-INIZCTEOSA-N 1 2 337.427 3.506 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000531587282 1027077127 /nfs/dbraw/zinc/07/71/27/1027077127.db2.gz SGDBXNHRESPLSG-CYBMUJFWSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000531587282 1027077132 /nfs/dbraw/zinc/07/71/32/1027077132.db2.gz SGDBXNHRESPLSG-CYBMUJFWSA-N 1 2 330.241 3.835 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000342792577 1027082368 /nfs/dbraw/zinc/08/23/68/1027082368.db2.gz WUOOFMQIBLPEOK-KZULUSFZSA-N 1 2 330.407 3.626 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000342792577 1027082376 /nfs/dbraw/zinc/08/23/76/1027082376.db2.gz WUOOFMQIBLPEOK-KZULUSFZSA-N 1 2 330.407 3.626 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302192032 1027083468 /nfs/dbraw/zinc/08/34/68/1027083468.db2.gz VXYKVTYZGQLAFI-XJKSGUPXSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302192032 1027083478 /nfs/dbraw/zinc/08/34/78/1027083478.db2.gz VXYKVTYZGQLAFI-XJKSGUPXSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000125856139 1027133461 /nfs/dbraw/zinc/13/34/61/1027133461.db2.gz VALHNJDEBRXNJK-UKRRQHHQSA-N 1 2 325.437 3.821 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557489 1027171382 /nfs/dbraw/zinc/17/13/82/1027171382.db2.gz NQFZIBAHBQNVIN-CHWSQXEVSA-N 1 2 349.887 3.950 20 0 EHADLO Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000126208154 1027176315 /nfs/dbraw/zinc/17/63/15/1027176315.db2.gz PICWRVYGQSGCIA-UHFFFAOYSA-N 1 2 348.362 3.814 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000272955064 1027194731 /nfs/dbraw/zinc/19/47/31/1027194731.db2.gz OSONBKFHSUBSMW-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000272955064 1027194741 /nfs/dbraw/zinc/19/47/41/1027194741.db2.gz OSONBKFHSUBSMW-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO Brc1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000302626364 1027215883 /nfs/dbraw/zinc/21/58/83/1027215883.db2.gz FPPMUDMKMHECDL-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO COc1cccc2c(NCc3nncn3-c3ccccc3)c(C)c[nH+]c12 ZINC000302662912 1027226852 /nfs/dbraw/zinc/22/68/52/1027226852.db2.gz PLDBXJUDBSCCAV-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3c3cccc(C)n3)ccc2[nH+]1 ZINC000531713249 1027239442 /nfs/dbraw/zinc/23/94/42/1027239442.db2.gz VXYLTNSYKRVENV-QGZVFWFLSA-N 1 2 335.411 3.715 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ncc(CSC)s1 ZINC000453048214 1027259974 /nfs/dbraw/zinc/25/99/74/1027259974.db2.gz SVSSJIXNLFJLRY-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO CCc1nocc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000453050469 1027264223 /nfs/dbraw/zinc/26/42/23/1027264223.db2.gz HQWFFVRCCVEIPF-UHFFFAOYSA-N 1 2 333.285 3.523 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCSC[C@@H](C)C1 ZINC000302764959 1027279383 /nfs/dbraw/zinc/27/93/83/1027279383.db2.gz ZFGDSIMUAPVIGV-ZDUSSCGKSA-N 1 2 330.453 3.601 20 0 EHADLO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1cscn1 ZINC000127300958 1027295356 /nfs/dbraw/zinc/29/53/56/1027295356.db2.gz NSPWZSAMTIQESR-ZDUSSCGKSA-N 1 2 327.222 3.822 20 0 EHADLO CC(C)Oc1cccc(CN(C)c2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302860511 1027331604 /nfs/dbraw/zinc/33/16/04/1027331604.db2.gz URJNUJBDAKSEFN-UHFFFAOYSA-N 1 2 326.444 3.500 20 0 EHADLO CC(C)Oc1cccc(CN(C)c2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302860511 1027331624 /nfs/dbraw/zinc/33/16/24/1027331624.db2.gz URJNUJBDAKSEFN-UHFFFAOYSA-N 1 2 326.444 3.500 20 0 EHADLO c1cc2c(ncnc2NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000076836266 1027332873 /nfs/dbraw/zinc/33/28/73/1027332873.db2.gz JFMIQYPKQHYIPK-UHFFFAOYSA-N 1 2 325.441 3.689 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347460127 1027337317 /nfs/dbraw/zinc/33/73/17/1027337317.db2.gz FCUBAEFHMZHIOP-FJIDUMEYSA-N 1 2 347.503 3.500 20 0 EHADLO CCC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)cc1F ZINC000302912881 1027359344 /nfs/dbraw/zinc/35/93/44/1027359344.db2.gz UHDKAHLTELCUBN-INIZCTEOSA-N 1 2 348.397 3.545 20 0 EHADLO CCC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)cc1F ZINC000302912881 1027359358 /nfs/dbraw/zinc/35/93/58/1027359358.db2.gz UHDKAHLTELCUBN-INIZCTEOSA-N 1 2 348.397 3.545 20 0 EHADLO c1nc(N2CCSCC2)cc(N2CCC3(CCCCC3)CC2)[nH+]1 ZINC000302920298 1027362743 /nfs/dbraw/zinc/36/27/43/1027362743.db2.gz ZDJVSLPKDCBRCM-UHFFFAOYSA-N 1 2 332.517 3.581 20 0 EHADLO c1nc(N2CCC3(CCCCC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000302920298 1027362763 /nfs/dbraw/zinc/36/27/63/1027362763.db2.gz ZDJVSLPKDCBRCM-UHFFFAOYSA-N 1 2 332.517 3.581 20 0 EHADLO COC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000453105425 1027368946 /nfs/dbraw/zinc/36/89/46/1027368946.db2.gz BTEPCKFMHAEJAT-DFBGVHRSSA-N 1 2 339.361 3.885 20 0 EHADLO Cc1ccc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000414446072 1027395132 /nfs/dbraw/zinc/39/51/32/1027395132.db2.gz IRHJEHITNSNPBM-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1ccc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000414446072 1027395151 /nfs/dbraw/zinc/39/51/51/1027395151.db2.gz IRHJEHITNSNPBM-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000273417550 1027418864 /nfs/dbraw/zinc/41/88/64/1027418864.db2.gz USNOLIYVOGXCDG-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(CC)cc2)cs1 ZINC000273422601 1027420119 /nfs/dbraw/zinc/42/01/19/1027420119.db2.gz VRENYORKBZHBTB-CQSZACIVSA-N 1 2 345.512 3.577 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ncc(-c2ccccc2)n1C ZINC000453140215 1027447672 /nfs/dbraw/zinc/44/76/72/1027447672.db2.gz IOAGOTAKBPIRQG-KDOFPFPSSA-N 1 2 339.414 3.610 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000273539652 1027483939 /nfs/dbraw/zinc/48/39/39/1027483939.db2.gz DULWQSIPDILJRA-NWDGAFQWSA-N 1 2 346.500 3.822 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1F ZINC000129261002 1027538694 /nfs/dbraw/zinc/53/86/94/1027538694.db2.gz IQEYBAOQCSJXIO-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCCc2sccc21 ZINC000129321017 1027545172 /nfs/dbraw/zinc/54/51/72/1027545172.db2.gz XUEYKYVNSSBVQA-HNNXBMFYSA-N 1 2 329.469 3.572 20 0 EHADLO O=C(C[NH+]1CCC(COc2ccccc2)CC1)OCc1ccccc1 ZINC000303399391 1027548044 /nfs/dbraw/zinc/54/80/44/1027548044.db2.gz QOGXZWBBKPGKTJ-UHFFFAOYSA-N 1 2 339.435 3.521 20 0 EHADLO Cc1nc(C2CC2)oc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273704354 1027571463 /nfs/dbraw/zinc/57/14/63/1027571463.db2.gz GXKILMZDWQGEMV-UHFFFAOYSA-N 1 2 347.378 3.822 20 0 EHADLO O=C(NC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1)C1CC1 ZINC000047859662 1027624458 /nfs/dbraw/zinc/62/44/58/1027624458.db2.gz VRPOARVIKBQJPN-UHFFFAOYSA-N 1 2 347.528 3.681 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000637699434 1027639044 /nfs/dbraw/zinc/63/90/44/1027639044.db2.gz WWCUNTQAYZDZQK-NUJGCVRESA-N 1 2 326.444 3.545 20 0 EHADLO COc1ccc(CC(C)(C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000422214489 1027651056 /nfs/dbraw/zinc/65/10/56/1027651056.db2.gz SNAOKWFBFKYIET-UHFFFAOYSA-N 1 2 341.455 3.528 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130328615 1027660002 /nfs/dbraw/zinc/66/00/02/1027660002.db2.gz HKCHUWFQAQRBFY-INIZCTEOSA-N 1 2 328.481 3.504 20 0 EHADLO COCc1cc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)no1 ZINC000459331528 1027669823 /nfs/dbraw/zinc/66/98/23/1027669823.db2.gz UJJFBSQLSSXUEP-ZDUSSCGKSA-N 1 2 338.810 3.821 20 0 EHADLO COCc1cc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)no1 ZINC000459331528 1027669834 /nfs/dbraw/zinc/66/98/34/1027669834.db2.gz UJJFBSQLSSXUEP-ZDUSSCGKSA-N 1 2 338.810 3.821 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)s1 ZINC000130566693 1027679828 /nfs/dbraw/zinc/67/98/28/1027679828.db2.gz YOHIVRGCNUFLFY-LLVKDONJSA-N 1 2 347.875 3.790 20 0 EHADLO Cc1cc(Br)cc2ccc(NCc3cc[nH+]c(N)c3)nc12 ZINC001167616424 1027696275 /nfs/dbraw/zinc/69/62/75/1027696275.db2.gz IJTPGRXQNRZKKJ-UHFFFAOYSA-N 1 2 343.228 3.895 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000665823162 1027726022 /nfs/dbraw/zinc/72/60/22/1027726022.db2.gz YVZMADINRJSBCR-BFYDXBDKSA-N 1 2 331.847 3.691 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(Br)cn2C)c1F ZINC000192961045 1027749741 /nfs/dbraw/zinc/74/97/41/1027749741.db2.gz VCPVOBODPCOIQS-UHFFFAOYSA-N 1 2 341.224 3.567 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(Br)cn2C)c1F ZINC000192961045 1027749748 /nfs/dbraw/zinc/74/97/48/1027749748.db2.gz VCPVOBODPCOIQS-UHFFFAOYSA-N 1 2 341.224 3.567 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131275628 1027757049 /nfs/dbraw/zinc/75/70/49/1027757049.db2.gz HEOAVGVQDSIBFI-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CC2 ZINC000431487978 1027777926 /nfs/dbraw/zinc/77/79/26/1027777926.db2.gz YNQSNQOKAZOFLP-INIZCTEOSA-N 1 2 333.391 3.549 20 0 EHADLO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000503442573 1027803982 /nfs/dbraw/zinc/80/39/82/1027803982.db2.gz LGHMKKCTVLKGKC-JKSUJKDBSA-N 1 2 331.485 3.733 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc(C)[nH+]1 ZINC000420921566 1027867758 /nfs/dbraw/zinc/86/77/58/1027867758.db2.gz UZGNRMLCOGUDJH-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922337 1027869177 /nfs/dbraw/zinc/86/91/77/1027869177.db2.gz FJJQUPYVCLDFEL-DZGCQCFKSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922337 1027869197 /nfs/dbraw/zinc/86/91/97/1027869197.db2.gz FJJQUPYVCLDFEL-DZGCQCFKSA-N 1 2 349.475 3.669 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@@H](c3ccncc3)C3CC3)n2)cc1 ZINC000934689124 1027888582 /nfs/dbraw/zinc/88/85/82/1027888582.db2.gz YMOJGVHQHGOITK-LJQANCHMSA-N 1 2 334.423 3.935 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000459356502 1027890044 /nfs/dbraw/zinc/89/00/44/1027890044.db2.gz CAUWNLGDHWNPQX-FQEVSTJZSA-N 1 2 345.414 3.812 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000459356502 1027890063 /nfs/dbraw/zinc/89/00/63/1027890063.db2.gz CAUWNLGDHWNPQX-FQEVSTJZSA-N 1 2 345.414 3.812 20 0 EHADLO OC[C@]1([NH2+]Cc2csc(C3CCCC3)n2)CCc2ccccc21 ZINC000132355450 1027914438 /nfs/dbraw/zinc/91/44/38/1027914438.db2.gz IRZJUGVEMXDCJE-LJQANCHMSA-N 1 2 328.481 3.724 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000111377026 1027918898 /nfs/dbraw/zinc/91/88/98/1027918898.db2.gz MQIJKZSRDQHRBA-BTFPBAQTSA-N 1 2 337.533 3.686 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503582717 1027942889 /nfs/dbraw/zinc/94/28/89/1027942889.db2.gz FVHMBQOHWUCMHB-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503582717 1027942906 /nfs/dbraw/zinc/94/29/06/1027942906.db2.gz FVHMBQOHWUCMHB-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)CCC(F)(F)F)C2=O)c1 ZINC000533490142 1027951656 /nfs/dbraw/zinc/95/16/56/1027951656.db2.gz IPNVJQSSKCEEGU-CYBMUJFWSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C2=O)c1 ZINC000533490142 1027951670 /nfs/dbraw/zinc/95/16/70/1027951670.db2.gz IPNVJQSSKCEEGU-CYBMUJFWSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1oc2nc(C[NH2+][C@@H](CC(F)F)c3ccccc3)nc(N)c2c1C ZINC000420992864 1027974032 /nfs/dbraw/zinc/97/40/32/1027974032.db2.gz LHQRHTNFJODYRC-ZDUSSCGKSA-N 1 2 346.381 3.908 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002626 1027981919 /nfs/dbraw/zinc/98/19/19/1027981919.db2.gz DPTFCQYKLYHFFQ-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002626 1027981929 /nfs/dbraw/zinc/98/19/29/1027981929.db2.gz DPTFCQYKLYHFFQ-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2cccc3ccccc32)no1 ZINC001211901713 1027984073 /nfs/dbraw/zinc/98/40/73/1027984073.db2.gz KWBVHVDKLWZEQB-UHFFFAOYSA-N 1 2 327.334 3.597 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000421037199 1028000237 /nfs/dbraw/zinc/00/02/37/1028000237.db2.gz JYIMECWKNNPYQC-INIZCTEOSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000421037199 1028000256 /nfs/dbraw/zinc/00/02/56/1028000256.db2.gz JYIMECWKNNPYQC-INIZCTEOSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000421037199 1028000265 /nfs/dbraw/zinc/00/02/65/1028000265.db2.gz JYIMECWKNNPYQC-INIZCTEOSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000421037199 1028000283 /nfs/dbraw/zinc/00/02/83/1028000283.db2.gz JYIMECWKNNPYQC-INIZCTEOSA-N 1 2 334.261 3.769 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018916 1028005619 /nfs/dbraw/zinc/00/56/19/1028005619.db2.gz MVHYNYBAAYXEIG-ZFWWWQNUSA-N 1 2 349.475 3.527 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018916 1028005641 /nfs/dbraw/zinc/00/56/41/1028005641.db2.gz MVHYNYBAAYXEIG-ZFWWWQNUSA-N 1 2 349.475 3.527 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(O)c1 ZINC000444532377 1028013751 /nfs/dbraw/zinc/01/37/51/1028013751.db2.gz GINNJAUSNSFFKR-UHFFFAOYSA-N 1 2 333.391 3.844 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(F)cc(F)c2OC)cc(OC)c1 ZINC001143558411 1028017737 /nfs/dbraw/zinc/01/77/37/1028017737.db2.gz XGRPFRDISVPYAF-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2OC)cc(OC)c1 ZINC001143558411 1028017753 /nfs/dbraw/zinc/01/77/53/1028017753.db2.gz XGRPFRDISVPYAF-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2(C)CCC2)c(C)c1 ZINC000533527855 1028019036 /nfs/dbraw/zinc/01/90/36/1028019036.db2.gz ISSMKONLBURLAX-GOSISDBHSA-N 1 2 340.471 3.731 20 0 EHADLO CC/C=C/CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455335361 1028022405 /nfs/dbraw/zinc/02/24/05/1028022405.db2.gz PCKDQBHHBSZPAY-DUMMIQTOSA-N 1 2 326.444 3.507 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153503400 1028048381 /nfs/dbraw/zinc/04/83/81/1028048381.db2.gz XJQDEWIQTQXTEI-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000422917495 1028073843 /nfs/dbraw/zinc/07/38/43/1028073843.db2.gz FEELJLUPJOHHGE-GOSISDBHSA-N 1 2 332.394 3.747 20 0 EHADLO Cc1cccc(F)c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000133890329 1028078175 /nfs/dbraw/zinc/07/81/75/1028078175.db2.gz TWZSASVCZVTVGE-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342916464 1028100580 /nfs/dbraw/zinc/10/05/80/1028100580.db2.gz JVYLIOCPVDEANR-UGSOOPFHSA-N 1 2 346.862 3.918 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342916464 1028100596 /nfs/dbraw/zinc/10/05/96/1028100596.db2.gz JVYLIOCPVDEANR-UGSOOPFHSA-N 1 2 346.862 3.918 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000134305266 1028109510 /nfs/dbraw/zinc/10/95/10/1028109510.db2.gz QWDSUFXBFHZAIF-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422997298 1028112716 /nfs/dbraw/zinc/11/27/16/1028112716.db2.gz UZXSROBCARILAW-KPZWWZAWSA-N 1 2 348.393 3.629 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2OC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000125910332 1028155314 /nfs/dbraw/zinc/15/53/14/1028155314.db2.gz FDQHHCSXSCRROB-MAUKXSAKSA-N 1 2 339.439 3.538 20 0 EHADLO c1cnc2cccc(OCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000421180614 1028157658 /nfs/dbraw/zinc/15/76/58/1028157658.db2.gz HNKZSBHOWQVKNG-UHFFFAOYSA-N 1 2 334.419 3.646 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc(N)c2ccccc2n1 ZINC000053112360 1028158384 /nfs/dbraw/zinc/15/83/84/1028158384.db2.gz LUQCVHUZJFLAEF-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc(N)c2ccccc2n1 ZINC000053112360 1028158389 /nfs/dbraw/zinc/15/83/89/1028158389.db2.gz LUQCVHUZJFLAEF-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689894 1028161500 /nfs/dbraw/zinc/16/15/00/1028161500.db2.gz HXSWOSUGVMWURX-OAHLLOKOSA-N 1 2 346.421 3.834 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689894 1028161511 /nfs/dbraw/zinc/16/15/11/1028161511.db2.gz HXSWOSUGVMWURX-OAHLLOKOSA-N 1 2 346.421 3.834 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689436 1028162484 /nfs/dbraw/zinc/16/24/84/1028162484.db2.gz FWLPTJGKAZFRFC-HNNXBMFYSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689436 1028162495 /nfs/dbraw/zinc/16/24/95/1028162495.db2.gz FWLPTJGKAZFRFC-HNNXBMFYSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)c(F)c1 ZINC000444703942 1028179008 /nfs/dbraw/zinc/17/90/08/1028179008.db2.gz KNHIDZNZJCJGCI-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)c(F)c1 ZINC000444703942 1028179021 /nfs/dbraw/zinc/17/90/21/1028179021.db2.gz KNHIDZNZJCJGCI-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444706934 1028183712 /nfs/dbraw/zinc/18/37/12/1028183712.db2.gz PGZDPJFBKFMWHW-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444706934 1028183721 /nfs/dbraw/zinc/18/37/21/1028183721.db2.gz PGZDPJFBKFMWHW-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1(C(F)F)CC1 ZINC000503890665 1028203497 /nfs/dbraw/zinc/20/34/97/1028203497.db2.gz ZWBGQOUQLXGCCU-SECBINFHSA-N 1 2 336.304 3.810 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1(C(F)F)CC1 ZINC000503890666 1028204037 /nfs/dbraw/zinc/20/40/37/1028204037.db2.gz ZWBGQOUQLXGCCU-VIFPVBQESA-N 1 2 336.304 3.810 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c(C)[nH+]1 ZINC000455475022 1028208458 /nfs/dbraw/zinc/20/84/58/1028208458.db2.gz DIXYSOMBWHCLCI-RDJZCZTQSA-N 1 2 333.476 3.970 20 0 EHADLO FC1(F)CC(CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000421232934 1028216999 /nfs/dbraw/zinc/21/69/99/1028216999.db2.gz YRAGBKDPGQTCPG-UHFFFAOYSA-N 1 2 327.440 3.797 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1(C(F)F)CC1 ZINC000503909562 1028220569 /nfs/dbraw/zinc/22/05/69/1028220569.db2.gz JPIJXQNXFQGHCK-VIFPVBQESA-N 1 2 347.203 3.554 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2COc3cccc(Cl)c32)c(C)[nH+]1 ZINC000455493299 1028225083 /nfs/dbraw/zinc/22/50/83/1028225083.db2.gz CGYLXLOYWNTPEP-ZDUSSCGKSA-N 1 2 331.803 3.915 20 0 EHADLO Cc1cccc(OC[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455487095 1028256918 /nfs/dbraw/zinc/25/69/18/1028256918.db2.gz SKSRJWQQEXASQW-OAHLLOKOSA-N 1 2 327.428 3.904 20 0 EHADLO CC[C@@H]1C[C@@]1([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C)c1 ZINC000502484322 1028258432 /nfs/dbraw/zinc/25/84/32/1028258432.db2.gz XSKRIIAARLKPDW-WBMJQRKESA-N 1 2 339.361 3.898 20 0 EHADLO CC[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(C)cc1 ZINC000523408782 1028276436 /nfs/dbraw/zinc/27/64/36/1028276436.db2.gz OXYWQAYDDBHVEP-AWEZNQCLSA-N 1 2 343.496 3.962 20 0 EHADLO CC[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(C)cc1 ZINC000523408782 1028276457 /nfs/dbraw/zinc/27/64/57/1028276457.db2.gz OXYWQAYDDBHVEP-AWEZNQCLSA-N 1 2 343.496 3.962 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000423221575 1028287369 /nfs/dbraw/zinc/28/73/69/1028287369.db2.gz XAMKLUTZVRFOGJ-CYBMUJFWSA-N 1 2 345.468 3.589 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)nn1C ZINC000421331936 1028299923 /nfs/dbraw/zinc/29/99/23/1028299923.db2.gz KMLMJPJVPMCGLX-SECBINFHSA-N 1 2 329.778 3.834 20 0 EHADLO Cc1ccc(O[C@@H](C)C(=O)Nc2cc[nH+]c(C)c2)c(Br)c1 ZINC000195629903 1028305528 /nfs/dbraw/zinc/30/55/28/1028305528.db2.gz JGBSGRWSXXKFLU-LBPRGKRZSA-N 1 2 349.228 3.867 20 0 EHADLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359368 1028309966 /nfs/dbraw/zinc/30/99/66/1028309966.db2.gz FQWMSOJYQNLIIZ-DTWKUNHWSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359368 1028309978 /nfs/dbraw/zinc/30/99/78/1028309978.db2.gz FQWMSOJYQNLIIZ-DTWKUNHWSA-N 1 2 338.698 3.614 20 0 EHADLO Cc1cccc(C)c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000137433674 1028312555 /nfs/dbraw/zinc/31/25/55/1028312555.db2.gz YNFDUUNLYVJYMR-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CC[C@@H]1C[C@@]1([NH2+]Cc1csc(NC(C)=O)n1)c1cccc(C)c1 ZINC000502541267 1028321159 /nfs/dbraw/zinc/32/11/59/1028321159.db2.gz JMSJCWUPDOQHDM-KDOFPFPSSA-N 1 2 329.469 3.825 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502547007 1028335999 /nfs/dbraw/zinc/33/59/99/1028335999.db2.gz SJMQRPVSEWMZNH-JKSUJKDBSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502547007 1028336016 /nfs/dbraw/zinc/33/60/16/1028336016.db2.gz SJMQRPVSEWMZNH-JKSUJKDBSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894533 1028344065 /nfs/dbraw/zinc/34/40/65/1028344065.db2.gz NSVKRVQVRPMDQU-INIZCTEOSA-N 1 2 334.423 3.775 20 0 EHADLO Cc1cccc(C)c1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067558362 1028369682 /nfs/dbraw/zinc/36/96/82/1028369682.db2.gz DZPFKABAMGKUDE-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cs1 ZINC000162101320 1028446486 /nfs/dbraw/zinc/44/64/86/1028446486.db2.gz MYHZUJPRLDNZRL-JSGCOSHPSA-N 1 2 347.459 3.691 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)on1 ZINC000729682951 1028450449 /nfs/dbraw/zinc/45/04/49/1028450449.db2.gz WTZKKBKKIGCEKO-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000513750640 1028477353 /nfs/dbraw/zinc/47/73/53/1028477353.db2.gz LQKCRELTWRWDCK-LJQANCHMSA-N 1 2 329.827 3.848 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000513750640 1028477358 /nfs/dbraw/zinc/47/73/58/1028477358.db2.gz LQKCRELTWRWDCK-LJQANCHMSA-N 1 2 329.827 3.848 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccoc1C ZINC000193994918 1028481433 /nfs/dbraw/zinc/48/14/33/1028481433.db2.gz VAUQESMGQHHFTG-INIZCTEOSA-N 1 2 332.469 3.617 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000193994918 1028481444 /nfs/dbraw/zinc/48/14/44/1028481444.db2.gz VAUQESMGQHHFTG-INIZCTEOSA-N 1 2 332.469 3.617 20 0 EHADLO C=Cn1cc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)cn1 ZINC000194280286 1028503411 /nfs/dbraw/zinc/50/34/11/1028503411.db2.gz YEIIJYDMHVJGLY-FQEVSTJZSA-N 1 2 343.434 3.750 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000072600039 1028508883 /nfs/dbraw/zinc/50/88/83/1028508883.db2.gz FSAUWXNHSOYTEB-IBGZPJMESA-N 1 2 348.450 3.541 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000072600039 1028508895 /nfs/dbraw/zinc/50/88/95/1028508895.db2.gz FSAUWXNHSOYTEB-IBGZPJMESA-N 1 2 348.450 3.541 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCc1cccc(F)c1)C1CC1 ZINC000072678294 1028512556 /nfs/dbraw/zinc/51/25/56/1028512556.db2.gz DQRPTUHWMAYDNV-UHFFFAOYSA-N 1 2 349.409 3.859 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CC(n2cc[nH+]c2)C1 ZINC000523698434 1028550602 /nfs/dbraw/zinc/55/06/02/1028550602.db2.gz KMFCZKOXVJWBAT-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2CCOc3ccc(Cl)cc32)cc(C)[nH+]1 ZINC000421574863 1028567287 /nfs/dbraw/zinc/56/72/87/1028567287.db2.gz HWVYHEPGSRYRMT-OAHLLOKOSA-N 1 2 330.815 3.534 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000195047367 1028572704 /nfs/dbraw/zinc/57/27/04/1028572704.db2.gz PUTHIUYLGXCDRL-KRWDZBQOSA-N 1 2 338.432 3.809 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(C)c2Br)cc(C)[nH+]1 ZINC000421577941 1028572926 /nfs/dbraw/zinc/57/29/26/1028572926.db2.gz PZWQIGRTAATLBQ-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423708861 1028580077 /nfs/dbraw/zinc/58/00/77/1028580077.db2.gz NDGNZDLZBZFYMY-MRXNPFEDSA-N 1 2 334.366 3.606 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1)C(C)C ZINC000073872372 1028583946 /nfs/dbraw/zinc/58/39/46/1028583946.db2.gz UVEJKEGZEVCEAA-LBPRGKRZSA-N 1 2 345.281 3.508 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1)C(C)C ZINC000073872372 1028583963 /nfs/dbraw/zinc/58/39/63/1028583963.db2.gz UVEJKEGZEVCEAA-LBPRGKRZSA-N 1 2 345.281 3.508 20 0 EHADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C)c1cc2ccccc2o1 ZINC000583026989 1028584125 /nfs/dbraw/zinc/58/41/25/1028584125.db2.gz AOWZVOBYPFGLDP-ZBFHGGJFSA-N 1 2 337.423 3.801 20 0 EHADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nc(C)no2)cc1 ZINC000122253020 1028595563 /nfs/dbraw/zinc/59/55/63/1028595563.db2.gz SLMFBJITNFZHSS-SFHVURJKSA-N 1 2 341.386 3.599 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000074536204 1028620902 /nfs/dbraw/zinc/62/09/02/1028620902.db2.gz USLGKEZYIYYYFK-GOSISDBHSA-N 1 2 331.419 3.810 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000074692235 1028628825 /nfs/dbraw/zinc/62/88/25/1028628825.db2.gz LDVDYCOTYNGGKI-KRWDZBQOSA-N 1 2 331.504 3.875 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccncc1 ZINC000502763044 1028646358 /nfs/dbraw/zinc/64/63/58/1028646358.db2.gz PJHYTRKREOWSDI-UHFFFAOYSA-N 1 2 325.456 3.840 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccncc1 ZINC000502763044 1028646364 /nfs/dbraw/zinc/64/63/64/1028646364.db2.gz PJHYTRKREOWSDI-UHFFFAOYSA-N 1 2 325.456 3.840 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000523824731 1028652517 /nfs/dbraw/zinc/65/25/17/1028652517.db2.gz MAPVORAHNYWQMU-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO Cc1ccc(O)c(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000237766935 1028664593 /nfs/dbraw/zinc/66/45/93/1028664593.db2.gz URSMOYYKIYWDQX-FQEVSTJZSA-N 1 2 347.418 3.565 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000246699818 1028678251 /nfs/dbraw/zinc/67/82/51/1028678251.db2.gz FVPQGTPUWUZFMX-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000246699818 1028678254 /nfs/dbraw/zinc/67/82/54/1028678254.db2.gz FVPQGTPUWUZFMX-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000246767656 1028689363 /nfs/dbraw/zinc/68/93/63/1028689363.db2.gz NLMUOIYOKMWQNT-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000246767656 1028689373 /nfs/dbraw/zinc/68/93/73/1028689373.db2.gz NLMUOIYOKMWQNT-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000122855703 1028754615 /nfs/dbraw/zinc/75/46/15/1028754615.db2.gz HYNKDFQFHCFUJC-YOBDTOFLSA-N 1 2 335.407 3.752 20 0 EHADLO CC1(C)CC=C(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000454325252 1028774885 /nfs/dbraw/zinc/77/48/85/1028774885.db2.gz MDTSWIYDOQRGLT-UHFFFAOYSA-N 1 2 328.456 3.594 20 0 EHADLO Cc1c[nH+]c(CCSCc2cccc(C(=O)N(C)C)c2)c(C)c1 ZINC000583084337 1028775684 /nfs/dbraw/zinc/77/56/84/1028775684.db2.gz OJXBIUQZLIEHON-UHFFFAOYSA-N 1 2 328.481 3.876 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1Cl ZINC000079500515 1028776315 /nfs/dbraw/zinc/77/63/15/1028776315.db2.gz VMIDPUOMTAQADQ-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)oc2cc1C ZINC000122964884 1028782321 /nfs/dbraw/zinc/78/23/21/1028782321.db2.gz CROYWXBHYMDFTB-GUYCJALGSA-N 1 2 337.423 3.969 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C ZINC000502889622 1028783838 /nfs/dbraw/zinc/78/38/38/1028783838.db2.gz RXNZHJWKBJPIHQ-DVOMOZLQSA-N 1 2 333.476 3.673 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000421795510 1028785332 /nfs/dbraw/zinc/78/53/32/1028785332.db2.gz ITAAWSTVJZXMPC-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000421795510 1028785351 /nfs/dbraw/zinc/78/53/51/1028785351.db2.gz ITAAWSTVJZXMPC-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000583092699 1028786021 /nfs/dbraw/zinc/78/60/21/1028786021.db2.gz XJLFQFMMTKILKP-HNNXBMFYSA-N 1 2 331.435 3.946 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000583092699 1028786036 /nfs/dbraw/zinc/78/60/36/1028786036.db2.gz XJLFQFMMTKILKP-HNNXBMFYSA-N 1 2 331.435 3.946 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@H](C)CC(=O)Nc2ccccc2)no1 ZINC000502892890 1028790776 /nfs/dbraw/zinc/79/07/76/1028790776.db2.gz NIRGZTKUMBXOTK-OAHLLOKOSA-N 1 2 344.459 3.651 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@H](C)CC(=O)Nc2ccccc2)no1 ZINC000502892890 1028790794 /nfs/dbraw/zinc/79/07/94/1028790794.db2.gz NIRGZTKUMBXOTK-OAHLLOKOSA-N 1 2 344.459 3.651 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)[NH+]1CCSCC1 ZINC000532763801 1028812703 /nfs/dbraw/zinc/81/27/03/1028812703.db2.gz LWRLPTDCXJVJNN-INIZCTEOSA-N 1 2 340.492 3.754 20 0 EHADLO Cc1ccc(C)c(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445485185 1028847374 /nfs/dbraw/zinc/84/73/74/1028847374.db2.gz YSYMDNVQJNNHRP-XMMPIXPASA-N 1 2 338.476 3.997 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000248552305 1028889130 /nfs/dbraw/zinc/88/91/30/1028889130.db2.gz KUXJELHEKDDNIT-IXDOHACOSA-N 1 2 331.504 3.664 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1F ZINC000445541548 1028902587 /nfs/dbraw/zinc/90/25/87/1028902587.db2.gz VVPJPWPMAWNGDM-DEOSSOPVSA-N 1 2 346.402 3.659 20 0 EHADLO C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000421928121 1028925421 /nfs/dbraw/zinc/92/54/21/1028925421.db2.gz VODAZIWRFPTKSL-OXJNMPFZSA-N 1 2 341.430 3.593 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000248632639 1028931363 /nfs/dbraw/zinc/93/13/63/1028931363.db2.gz RUWJCSDJISGWNR-IERDGZPVSA-N 1 2 348.446 3.786 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000248632639 1028931374 /nfs/dbraw/zinc/93/13/74/1028931374.db2.gz RUWJCSDJISGWNR-IERDGZPVSA-N 1 2 348.446 3.786 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3CC(C(C)(C)C)C3)cn2c1 ZINC000504822503 1028940959 /nfs/dbraw/zinc/94/09/59/1028940959.db2.gz UQDTVQBURVNJRR-UHFFFAOYSA-N 1 2 345.512 3.817 20 0 EHADLO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454463171 1028956381 /nfs/dbraw/zinc/95/63/81/1028956381.db2.gz ORBKNAREZVSYIW-UHFFFAOYSA-N 1 2 340.427 3.677 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc(OC)n1)c1ccc(OC(F)(F)F)cc1 ZINC000424313825 1028962614 /nfs/dbraw/zinc/96/26/14/1028962614.db2.gz YYCHDWPCALVAMO-CYBMUJFWSA-N 1 2 341.333 3.625 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cn1 ZINC000248898019 1028963295 /nfs/dbraw/zinc/96/32/95/1028963295.db2.gz UQBKLCJWJOCFOM-MRXNPFEDSA-N 1 2 331.485 3.561 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cn1 ZINC000248898019 1028963315 /nfs/dbraw/zinc/96/33/15/1028963315.db2.gz UQBKLCJWJOCFOM-MRXNPFEDSA-N 1 2 331.485 3.561 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000424326527 1028973690 /nfs/dbraw/zinc/97/36/90/1028973690.db2.gz MBDIHJPVRPJZSI-IUCAKERBSA-N 1 2 326.368 3.620 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](c2ncccc2C)C(C)C)c[nH+]1 ZINC000454512372 1028999359 /nfs/dbraw/zinc/99/93/59/1028999359.db2.gz KFFZACBUHFDACB-QGZVFWFLSA-N 1 2 326.444 3.598 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076495242 1029006353 /nfs/dbraw/zinc/00/63/53/1029006353.db2.gz ALIZLZLAVFLWQD-CQSZACIVSA-N 1 2 346.521 3.817 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000076495242 1029006367 /nfs/dbraw/zinc/00/63/67/1029006367.db2.gz ALIZLZLAVFLWQD-CQSZACIVSA-N 1 2 346.521 3.817 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000503087371 1029042917 /nfs/dbraw/zinc/04/29/17/1029042917.db2.gz JUQIWUKOBWIWRA-WMLDXEAASA-N 1 2 348.878 3.964 20 0 EHADLO CC[N@H+](Cc1csc(C(C)C)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383378 1029106149 /nfs/dbraw/zinc/10/61/49/1029106149.db2.gz MKLGBRQVEYNQCQ-UHFFFAOYSA-N 1 2 345.512 3.990 20 0 EHADLO CC[N@@H+](Cc1csc(C(C)C)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383378 1029106151 /nfs/dbraw/zinc/10/61/51/1029106151.db2.gz MKLGBRQVEYNQCQ-UHFFFAOYSA-N 1 2 345.512 3.990 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000154311739 1029107462 /nfs/dbraw/zinc/10/74/62/1029107462.db2.gz XZDCUEWHKHLAOJ-AZUAARDMSA-N 1 2 337.467 3.883 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000532967799 1029113348 /nfs/dbraw/zinc/11/33/48/1029113348.db2.gz IEJDVBSBAFPQKC-KUHUBIRLSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000532967799 1029113359 /nfs/dbraw/zinc/11/33/59/1029113359.db2.gz IEJDVBSBAFPQKC-KUHUBIRLSA-N 1 2 343.398 3.538 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524404751 1029152153 /nfs/dbraw/zinc/15/21/53/1029152153.db2.gz RLSWBQXEUMRQAX-NVXWUHKLSA-N 1 2 332.492 3.904 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(F)ccc2C)nc1C ZINC000445797883 1029156152 /nfs/dbraw/zinc/15/61/52/1029156152.db2.gz LQALZHONRGUDBG-LBPRGKRZSA-N 1 2 336.432 3.927 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077789770 1029159401 /nfs/dbraw/zinc/15/94/01/1029159401.db2.gz IXTSMQYMKCBZOQ-RTBURBONSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001279148418 1029161186 /nfs/dbraw/zinc/16/11/86/1029161186.db2.gz LZQWHOGYRMDGBG-UHFFFAOYSA-N 1 2 345.487 3.668 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cc(C)c(F)c(C)c1)C2 ZINC001279148418 1029161199 /nfs/dbraw/zinc/16/11/99/1029161199.db2.gz LZQWHOGYRMDGBG-UHFFFAOYSA-N 1 2 345.487 3.668 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CC[C@@H]1C ZINC000251923888 1029166890 /nfs/dbraw/zinc/16/68/90/1029166890.db2.gz SOZCCSIIBOTWPC-WMLDXEAASA-N 1 2 332.469 3.579 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CC[C@@H]1C ZINC000251923888 1029166898 /nfs/dbraw/zinc/16/68/98/1029166898.db2.gz SOZCCSIIBOTWPC-WMLDXEAASA-N 1 2 332.469 3.579 20 0 EHADLO CCC(=CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1)CC ZINC000124253264 1029173994 /nfs/dbraw/zinc/17/39/94/1029173994.db2.gz CRZMIGPTVWUIBA-UHFFFAOYSA-N 1 2 348.491 3.543 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000271796136 1029174374 /nfs/dbraw/zinc/17/43/74/1029174374.db2.gz KBTWDIIBCWDQPB-IBGZPJMESA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OC)cn1 ZINC000271796136 1029174383 /nfs/dbraw/zinc/17/43/83/1029174383.db2.gz KBTWDIIBCWDQPB-IBGZPJMESA-N 1 2 336.439 3.797 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(Br)cc2)s1 ZINC000271840836 1029195625 /nfs/dbraw/zinc/19/56/25/1029195625.db2.gz UQAZYGHZZQPMJP-VIFPVBQESA-N 1 2 342.262 3.550 20 0 EHADLO Cc1[nH]c(=O)ccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278129012 1029216345 /nfs/dbraw/zinc/21/63/45/1029216345.db2.gz MJKLPGHUDMXZIK-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CCC[C@@H](F)C1 ZINC000424659649 1029222213 /nfs/dbraw/zinc/22/22/13/1029222213.db2.gz IFERPJJJYGALOL-DLBZAZTESA-N 1 2 333.451 3.607 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCOc2c(Cl)cccc2Cl)no1 ZINC000533053409 1029242518 /nfs/dbraw/zinc/24/25/18/1029242518.db2.gz PRMKSXMIIDCUQN-UHFFFAOYSA-N 1 2 330.215 3.589 20 0 EHADLO COCc1nc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000271956410 1029244038 /nfs/dbraw/zinc/24/40/38/1029244038.db2.gz FBBFUHGRKWYEPB-CQSZACIVSA-N 1 2 338.860 3.946 20 0 EHADLO Brc1ccc(-c2noc(C[NH+]3CCCCC3)n2)s1 ZINC000114453630 1029250655 /nfs/dbraw/zinc/25/06/55/1029250655.db2.gz LXYNGXUFKCAWEP-UHFFFAOYSA-N 1 2 328.235 3.547 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000079851977 1029253683 /nfs/dbraw/zinc/25/36/83/1029253683.db2.gz FPRDURLEOYDWPI-UWJYYQICSA-N 1 2 339.483 3.654 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)CCOCc3ccccc3)o2)cc1 ZINC000154705558 1029290567 /nfs/dbraw/zinc/29/05/67/1029290567.db2.gz QTRBKKQYHYQDMV-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)CCOCc3ccccc3)o2)cc1 ZINC000154705558 1029290580 /nfs/dbraw/zinc/29/05/80/1029290580.db2.gz QTRBKKQYHYQDMV-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1c(NC[C@@]2(C)CC2(F)F)nc[nH+]c1NC[C@]1(C)CC1(F)F ZINC000664400426 1029307620 /nfs/dbraw/zinc/30/76/20/1029307620.db2.gz XAPZAFLGNLHBGO-BETUJISGSA-N 1 2 332.345 3.699 20 0 EHADLO Cc1c(NC[C@]2(C)CC2(F)F)nc[nH+]c1NC[C@@]1(C)CC1(F)F ZINC000664400426 1029307636 /nfs/dbraw/zinc/30/76/36/1029307636.db2.gz XAPZAFLGNLHBGO-BETUJISGSA-N 1 2 332.345 3.699 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272177076 1029346283 /nfs/dbraw/zinc/34/62/83/1029346283.db2.gz JJSIAMNIDIMVHK-UHFFFAOYSA-N 1 2 326.444 3.700 20 0 EHADLO Cc1nc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cs1 ZINC000272199233 1029354227 /nfs/dbraw/zinc/35/42/27/1029354227.db2.gz BEFUJLCOXUBNJD-AVGNSLFASA-N 1 2 332.473 3.633 20 0 EHADLO COCCC[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000272234257 1029371448 /nfs/dbraw/zinc/37/14/48/1029371448.db2.gz PRLSOMDVYTZYSP-OAHLLOKOSA-N 1 2 339.439 3.603 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C)o1 ZINC000272271128 1029391684 /nfs/dbraw/zinc/39/16/84/1029391684.db2.gz KKQIFNPTOJUOFV-CQSZACIVSA-N 1 2 347.846 3.996 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000272307737 1029408726 /nfs/dbraw/zinc/40/87/26/1029408726.db2.gz RBMYUQZPRYNDQT-ACJLOTCBSA-N 1 2 346.858 3.552 20 0 EHADLO COC(=O)C[N@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)C1CC1 ZINC000583254950 1029429832 /nfs/dbraw/zinc/42/98/32/1029429832.db2.gz HQYOQGAPPSNWTQ-XYOKQWHBSA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)C[N@@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)C1CC1 ZINC000583254950 1029429842 /nfs/dbraw/zinc/42/98/42/1029429842.db2.gz HQYOQGAPPSNWTQ-XYOKQWHBSA-N 1 2 327.346 3.746 20 0 EHADLO CC[C@@H](C)Oc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272351386 1029430528 /nfs/dbraw/zinc/43/05/28/1029430528.db2.gz AKUFZLSYUUZWJH-PBHICJAKSA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@@H](C)Oc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272351386 1029430538 /nfs/dbraw/zinc/43/05/38/1029430538.db2.gz AKUFZLSYUUZWJH-PBHICJAKSA-N 1 2 345.443 3.696 20 0 EHADLO CSc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(Cl)cc1Cl ZINC000150851026 1029435584 /nfs/dbraw/zinc/43/55/84/1029435584.db2.gz HQGACXAVORULGY-UHFFFAOYSA-N 1 2 345.295 3.636 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245912024 1029462769 /nfs/dbraw/zinc/46/27/69/1029462769.db2.gz RIKQIUZAYRXFNA-CABCVRRESA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245912024 1029462775 /nfs/dbraw/zinc/46/27/75/1029462775.db2.gz RIKQIUZAYRXFNA-CABCVRRESA-N 1 2 349.887 3.589 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000524811154 1029530298 /nfs/dbraw/zinc/53/02/98/1029530298.db2.gz BPALQHABQQSTJM-YOEHRIQHSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000524811154 1029530310 /nfs/dbraw/zinc/53/03/10/1029530310.db2.gz BPALQHABQQSTJM-YOEHRIQHSA-N 1 2 339.863 3.835 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434300238 1029554771 /nfs/dbraw/zinc/55/47/71/1029554771.db2.gz YDVVDXGWPIIKMK-OAHLLOKOSA-N 1 2 332.492 3.543 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCc4c3cccc4F)c[nH+]2)C[C@@H](C)O1 ZINC000513869068 1029559524 /nfs/dbraw/zinc/55/95/24/1029559524.db2.gz GEAJATRQZTVYCW-LPMFXHHGSA-N 1 2 341.430 3.934 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434319555 1029567387 /nfs/dbraw/zinc/56/73/87/1029567387.db2.gz YKUBJUAGWXJHKU-GOSISDBHSA-N 1 2 331.847 3.974 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000611576115 1029581004 /nfs/dbraw/zinc/58/10/04/1029581004.db2.gz ZFIMMVUTPBKTOA-SFHVURJKSA-N 1 2 340.423 3.792 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000611576115 1029581013 /nfs/dbraw/zinc/58/10/13/1029581013.db2.gz ZFIMMVUTPBKTOA-SFHVURJKSA-N 1 2 340.423 3.792 20 0 EHADLO Cc1cc(N)nc(SCc2coc(-c3c(F)cccc3F)n2)[nH+]1 ZINC000155625077 1029591652 /nfs/dbraw/zinc/59/16/52/1029591652.db2.gz BFJNKLSNWJEZIK-UHFFFAOYSA-N 1 2 334.351 3.593 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533347600 1029628465 /nfs/dbraw/zinc/62/84/65/1029628465.db2.gz CSKQKWLCTIQCLL-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533347600 1029628471 /nfs/dbraw/zinc/62/84/71/1029628471.db2.gz CSKQKWLCTIQCLL-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000343177301 1029639232 /nfs/dbraw/zinc/63/92/32/1029639232.db2.gz RIUOQOGMVLGQPD-FPOVZHCZSA-N 1 2 345.446 3.546 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343177303 1029640082 /nfs/dbraw/zinc/64/00/82/1029640082.db2.gz RIUOQOGMVLGQPD-TZIWHRDSSA-N 1 2 345.446 3.546 20 0 EHADLO Cc1cnc(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)o1 ZINC000079498447 1029657828 /nfs/dbraw/zinc/65/78/28/1029657828.db2.gz PUNBLCMEALYVFY-UHFFFAOYSA-N 1 2 349.475 3.595 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]nc1-c1ccccc1 ZINC000079602679 1029677524 /nfs/dbraw/zinc/67/75/24/1029677524.db2.gz BODAZSQJTRADIV-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000126186183 1029678197 /nfs/dbraw/zinc/67/81/97/1029678197.db2.gz GSFQBGNUFWKUTQ-HKUYNNGSSA-N 1 2 337.467 3.805 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000155890107 1029691013 /nfs/dbraw/zinc/69/10/13/1029691013.db2.gz QTIZXGOYJDMGCX-LLVKDONJSA-N 1 2 344.465 3.578 20 0 EHADLO Cc1nn2c(C[NH2+]Cc3noc4ccccc34)c(C(C)C)nc2s1 ZINC000583391322 1029756551 /nfs/dbraw/zinc/75/65/51/1029756551.db2.gz RICBEPHQOIIJAV-UHFFFAOYSA-N 1 2 341.440 3.654 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(OCC3CCCCC3)CC2)n1 ZINC000525272212 1029766040 /nfs/dbraw/zinc/76/60/40/1029766040.db2.gz AHXOALCVZYQMMY-UHFFFAOYSA-N 1 2 335.492 3.974 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)o1 ZINC000525274471 1029784054 /nfs/dbraw/zinc/78/40/54/1029784054.db2.gz OYWNEQNLGCGQQN-DNVCBOLYSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)o1 ZINC000525274471 1029784061 /nfs/dbraw/zinc/78/40/61/1029784061.db2.gz OYWNEQNLGCGQQN-DNVCBOLYSA-N 1 2 343.423 3.645 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525328276 1029795335 /nfs/dbraw/zinc/79/53/35/1029795335.db2.gz IZKTUEKIEQURFC-GDBMZVCRSA-N 1 2 334.891 3.878 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525328276 1029795339 /nfs/dbraw/zinc/79/53/39/1029795339.db2.gz IZKTUEKIEQURFC-GDBMZVCRSA-N 1 2 334.891 3.878 20 0 EHADLO CCO[C@H]1C[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC000583424431 1029806673 /nfs/dbraw/zinc/80/66/73/1029806673.db2.gz SQSNNIYSUNMILL-HOTGVXAUSA-N 1 2 331.460 3.818 20 0 EHADLO Cc1c(F)cccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536020225 1029812760 /nfs/dbraw/zinc/81/27/60/1029812760.db2.gz UCJRCAYHGATIGH-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Cc1cc(=O)c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c[nH]1 ZINC000278249846 1029816866 /nfs/dbraw/zinc/81/68/66/1029816866.db2.gz XCRUPGBPMHGFNG-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035900 1029860706 /nfs/dbraw/zinc/86/07/06/1029860706.db2.gz PGZJEKQJUSXNBC-UONOGXRCSA-N 1 2 340.389 3.755 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035900 1029860710 /nfs/dbraw/zinc/86/07/10/1029860710.db2.gz PGZJEKQJUSXNBC-UONOGXRCSA-N 1 2 340.389 3.755 20 0 EHADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1c2ccccc2-c2ccccc21 ZINC000156510306 1029861110 /nfs/dbraw/zinc/86/11/10/1029861110.db2.gz XLIYVMSNUIKFGE-OAHLLOKOSA-N 1 2 343.430 3.674 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000446955024 1029863295 /nfs/dbraw/zinc/86/32/95/1029863295.db2.gz WHPBWJPYLOZIHY-KBPBESRZSA-N 1 2 336.505 3.639 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000446955024 1029863298 /nfs/dbraw/zinc/86/32/98/1029863298.db2.gz WHPBWJPYLOZIHY-KBPBESRZSA-N 1 2 336.505 3.639 20 0 EHADLO O=C([C@H]1CCCc2sccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817781 1029865281 /nfs/dbraw/zinc/86/52/81/1029865281.db2.gz FGHOBZWHNGDBCR-INIZCTEOSA-N 1 2 346.521 3.574 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=CC[C@H](C)CC1 ZINC000455718006 1029869544 /nfs/dbraw/zinc/86/95/44/1029869544.db2.gz KXBOWTZOTBPGFW-HNNXBMFYSA-N 1 2 328.456 3.512 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975423 1029878186 /nfs/dbraw/zinc/87/81/86/1029878186.db2.gz RARLINPTPAHHER-XPTSAGLGSA-N 1 2 348.365 3.571 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975423 1029878193 /nfs/dbraw/zinc/87/81/93/1029878193.db2.gz RARLINPTPAHHER-XPTSAGLGSA-N 1 2 348.365 3.571 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000453201651 1029903928 /nfs/dbraw/zinc/90/39/28/1029903928.db2.gz AVGIWPRMKLJRGH-BEFAXECRSA-N 1 2 349.482 3.989 20 0 EHADLO CC(=O)c1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000089466924 1029917682 /nfs/dbraw/zinc/91/76/82/1029917682.db2.gz JUSRRLJARUMFGF-UHFFFAOYSA-N 1 2 348.406 3.705 20 0 EHADLO Fc1ccc(CNc2cc(NCc3ccc(F)cc3)[nH+]cn2)cc1 ZINC000244260289 1029929038 /nfs/dbraw/zinc/92/90/38/1029929038.db2.gz WMEXAPBAWMGLAD-UHFFFAOYSA-N 1 2 326.350 3.979 20 0 EHADLO CC(C)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000120206966 1029947887 /nfs/dbraw/zinc/94/78/87/1029947887.db2.gz FWJUHHLNUIXNCH-QGZVFWFLSA-N 1 2 348.878 3.965 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(CCc2ncccc2C)no1)c1ccccc1 ZINC000453235568 1029958759 /nfs/dbraw/zinc/95/87/59/1029958759.db2.gz XYRXJSGVSYCFHS-LJQANCHMSA-N 1 2 336.439 3.599 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(CCc2ncccc2C)no1)c1ccccc1 ZINC000453235568 1029958777 /nfs/dbraw/zinc/95/87/77/1029958777.db2.gz XYRXJSGVSYCFHS-LJQANCHMSA-N 1 2 336.439 3.599 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H](C)CCC[C@@H]3C)cn2c1 ZINC000525618226 1029972403 /nfs/dbraw/zinc/97/24/03/1029972403.db2.gz PKNGPGQZRFIAPK-HOCLYGCPSA-N 1 2 345.512 3.913 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)sc1Br ZINC000453268879 1030005502 /nfs/dbraw/zinc/00/55/02/1030005502.db2.gz OSZYEXXIAZZTSZ-VIFPVBQESA-N 1 2 343.294 3.842 20 0 EHADLO CCC(C)(C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343272892 1030038459 /nfs/dbraw/zinc/03/84/59/1030038459.db2.gz BAVWVNCGRLKSMY-UHFFFAOYSA-N 1 2 339.443 3.698 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C(F)(F)CC ZINC000600613282 1030046190 /nfs/dbraw/zinc/04/61/90/1030046190.db2.gz GUNBDMPUCFRCRL-OAHLLOKOSA-N 1 2 327.415 3.822 20 0 EHADLO CCc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058606866 1030056633 /nfs/dbraw/zinc/05/66/33/1030056633.db2.gz NWVUGCZVQITANB-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO COc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1F ZINC000058625396 1030063849 /nfs/dbraw/zinc/06/38/49/1030063849.db2.gz FUKQUTNXGXTDFU-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H]1CCc2ccccc21 ZINC000278306715 1030082067 /nfs/dbraw/zinc/08/20/67/1030082067.db2.gz AYWCTSIOEMVXDA-GOSISDBHSA-N 1 2 337.398 3.919 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H]1CCc2ccccc21 ZINC000278306715 1030082078 /nfs/dbraw/zinc/08/20/78/1030082078.db2.gz AYWCTSIOEMVXDA-GOSISDBHSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cnccc2C)nnn1-c1ccc(Cl)cc1 ZINC000453318382 1030096013 /nfs/dbraw/zinc/09/60/13/1030096013.db2.gz BLALBTNXNDLBFA-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000090450288 1030116172 /nfs/dbraw/zinc/11/61/72/1030116172.db2.gz MKMQBPCMFBRIHP-QWHCGFSZSA-N 1 2 328.366 3.957 20 0 EHADLO CCOC(=O)[C@H](CC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000525782133 1030117733 /nfs/dbraw/zinc/11/77/33/1030117733.db2.gz CAZOHYHROQPHSS-SFHVURJKSA-N 1 2 331.456 3.540 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090530048 1030136737 /nfs/dbraw/zinc/13/67/37/1030136737.db2.gz RQHRSGWXMBIBCT-ZIAGYGMSSA-N 1 2 348.468 3.508 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000447374647 1030145373 /nfs/dbraw/zinc/14/53/73/1030145373.db2.gz OJUDRBYZIRGFGE-AWEZNQCLSA-N 1 2 345.420 3.601 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000447374647 1030145378 /nfs/dbraw/zinc/14/53/78/1030145378.db2.gz OJUDRBYZIRGFGE-AWEZNQCLSA-N 1 2 345.420 3.601 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ncc(Br)cc1Br ZINC000482003950 1030156341 /nfs/dbraw/zinc/15/63/41/1030156341.db2.gz GUXRKINNSCJGBS-RKDXNWHRSA-N 1 2 348.082 3.979 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657772509 1030164035 /nfs/dbraw/zinc/16/40/35/1030164035.db2.gz FFAIQJTVECIBCO-HNNXBMFYSA-N 1 2 342.270 3.902 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)cn1 ZINC000453385222 1030165967 /nfs/dbraw/zinc/16/59/67/1030165967.db2.gz UFQXNUYYUPMUDS-ZJUUUORDSA-N 1 2 341.228 3.611 20 0 EHADLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000447398569 1030166891 /nfs/dbraw/zinc/16/68/91/1030166891.db2.gz SIRGIKJQTAGTGN-OAHLLOKOSA-N 1 2 348.450 3.811 20 0 EHADLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000447398569 1030166897 /nfs/dbraw/zinc/16/68/97/1030166897.db2.gz SIRGIKJQTAGTGN-OAHLLOKOSA-N 1 2 348.450 3.811 20 0 EHADLO CC[C@H](C[N@H+](C)Cc1nnc(C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000428481871 1030172068 /nfs/dbraw/zinc/17/20/68/1030172068.db2.gz NPADDKWPQFHNSG-LLVKDONJSA-N 1 2 343.258 3.709 20 0 EHADLO CC[C@H](C[N@@H+](C)Cc1nnc(C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000428481871 1030172080 /nfs/dbraw/zinc/17/20/80/1030172080.db2.gz NPADDKWPQFHNSG-LLVKDONJSA-N 1 2 343.258 3.709 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018458 1030175803 /nfs/dbraw/zinc/17/58/03/1030175803.db2.gz RENZGJPKILEPIV-GXTWGEPZSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018458 1030175816 /nfs/dbraw/zinc/17/58/16/1030175816.db2.gz RENZGJPKILEPIV-GXTWGEPZSA-N 1 2 329.893 3.754 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)nc1 ZINC000657773611 1030212514 /nfs/dbraw/zinc/21/25/14/1030212514.db2.gz UCMNTMKNUDNLEF-OAHLLOKOSA-N 1 2 341.238 3.610 20 0 EHADLO COc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1Cl ZINC000635076224 1030215337 /nfs/dbraw/zinc/21/53/37/1030215337.db2.gz LRMAYXXXVBWJMC-LBPRGKRZSA-N 1 2 347.724 3.677 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)c2ccco2)cc1 ZINC000453418079 1030233852 /nfs/dbraw/zinc/23/38/52/1030233852.db2.gz VCRDPSJWNZAMOM-XLIONFOSSA-N 1 2 337.423 3.778 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000091212282 1030243342 /nfs/dbraw/zinc/24/33/42/1030243342.db2.gz QITUOHJZYZLCKD-SNAWJCMRSA-N 1 2 331.419 3.900 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)sc1C ZINC000091689400 1030289313 /nfs/dbraw/zinc/28/93/13/1030289313.db2.gz DQZCDXMCXWNXQF-AWEZNQCLSA-N 1 2 333.476 3.778 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121558629 1030300524 /nfs/dbraw/zinc/30/05/24/1030300524.db2.gz XFIXAKHPSCYFIL-NRFANRHFSA-N 1 2 346.430 3.847 20 0 EHADLO Fc1cccc(C2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)c1F ZINC000667997874 1030317121 /nfs/dbraw/zinc/31/71/21/1030317121.db2.gz DQZNYHLFONVLMT-UHFFFAOYSA-N 1 2 332.398 3.661 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000091865126 1030319058 /nfs/dbraw/zinc/31/90/58/1030319058.db2.gz KWYCOCNCOAUEKO-CYBMUJFWSA-N 1 2 333.407 3.513 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000091869215 1030323003 /nfs/dbraw/zinc/32/30/03/1030323003.db2.gz WHYXIELXVAPFRL-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091888174 1030330386 /nfs/dbraw/zinc/33/03/86/1030330386.db2.gz PGMQPPGUMKVLMZ-CYBMUJFWSA-N 1 2 345.418 3.828 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1csc(-c2ccccn2)n1 ZINC000453624293 1030387994 /nfs/dbraw/zinc/38/79/94/1030387994.db2.gz QBYKSTLFNJUPAO-UHFFFAOYSA-N 1 2 341.484 3.597 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2ccccn2)n1 ZINC000453624293 1030388013 /nfs/dbraw/zinc/38/80/13/1030388013.db2.gz QBYKSTLFNJUPAO-UHFFFAOYSA-N 1 2 341.484 3.597 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000532094763 1030390120 /nfs/dbraw/zinc/39/01/20/1030390120.db2.gz LYEOVTUFRWRYOP-LPHOPBHVSA-N 1 2 340.471 3.799 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3coc4ccccc34)CC2)c(C)o1 ZINC000092168992 1030393264 /nfs/dbraw/zinc/39/32/64/1030393264.db2.gz ZFCOXLLYGBWKTK-UHFFFAOYSA-N 1 2 338.407 3.601 20 0 EHADLO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1n[nH]cc1Br ZINC000532225746 1030491941 /nfs/dbraw/zinc/49/19/41/1030491941.db2.gz RAKKQRJVCIBCAO-RFAUZJTJSA-N 1 2 338.224 3.725 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)cc1 ZINC000343364045 1030508938 /nfs/dbraw/zinc/50/89/38/1030508938.db2.gz CQUIOPSGMGGZKW-CQSZACIVSA-N 1 2 338.386 3.598 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000093236363 1030577345 /nfs/dbraw/zinc/57/73/45/1030577345.db2.gz BJQBICZTSHNLDF-KRWDZBQOSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000093236363 1030577347 /nfs/dbraw/zinc/57/73/47/1030577347.db2.gz BJQBICZTSHNLDF-KRWDZBQOSA-N 1 2 339.483 3.902 20 0 EHADLO CCOc1c(C[N@H+](CC)Cc2ccccn2)c(C)nn1CC(C)C ZINC000093338630 1030590390 /nfs/dbraw/zinc/59/03/90/1030590390.db2.gz KUGKBUVJOOSTFU-UHFFFAOYSA-N 1 2 330.476 3.663 20 0 EHADLO CCOc1c(C[N@@H+](CC)Cc2ccccn2)c(C)nn1CC(C)C ZINC000093338630 1030590394 /nfs/dbraw/zinc/59/03/94/1030590394.db2.gz KUGKBUVJOOSTFU-UHFFFAOYSA-N 1 2 330.476 3.663 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1Cl ZINC000193675184 1030599577 /nfs/dbraw/zinc/59/95/77/1030599577.db2.gz DCPNWZDKFXJRGQ-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1Cl ZINC000193675184 1030599587 /nfs/dbraw/zinc/59/95/87/1030599587.db2.gz DCPNWZDKFXJRGQ-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO COCc1ccccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060547183 1030633473 /nfs/dbraw/zinc/63/34/73/1030633473.db2.gz JTUUEZRGXXLCPE-DHZHZOJOSA-N 1 2 333.391 3.671 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cs1 ZINC000343390781 1030657243 /nfs/dbraw/zinc/65/72/43/1030657243.db2.gz SMUKOUVDTSMMDH-MRXNPFEDSA-N 1 2 333.432 3.790 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)c1nccn1C ZINC000448025768 1030657748 /nfs/dbraw/zinc/65/77/48/1030657748.db2.gz FOWPKLGXNAYMBY-HNNXBMFYSA-N 1 2 337.471 3.581 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+](C)CCCOC(C)C)n2)c1 ZINC000448018967 1030670933 /nfs/dbraw/zinc/67/09/33/1030670933.db2.gz SKEKYVMFJSMXNP-UHFFFAOYSA-N 1 2 347.459 3.512 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+](C)CCCOC(C)C)n2)c1 ZINC000448018967 1030670942 /nfs/dbraw/zinc/67/09/42/1030670942.db2.gz SKEKYVMFJSMXNP-UHFFFAOYSA-N 1 2 347.459 3.512 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]2)c(OC)c1 ZINC000171106793 1030676531 /nfs/dbraw/zinc/67/65/31/1030676531.db2.gz GZKXZPYSWAUIPT-SFHVURJKSA-N 1 2 337.423 3.917 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]2)c(OC)c1 ZINC000171106793 1030676551 /nfs/dbraw/zinc/67/65/51/1030676551.db2.gz GZKXZPYSWAUIPT-SFHVURJKSA-N 1 2 337.423 3.917 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000122570036 1030676968 /nfs/dbraw/zinc/67/69/68/1030676968.db2.gz PCOLFZWQMWDXEG-SWLSCSKDSA-N 1 2 335.448 3.688 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000122570036 1030676979 /nfs/dbraw/zinc/67/69/79/1030676979.db2.gz PCOLFZWQMWDXEG-SWLSCSKDSA-N 1 2 335.448 3.688 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810178 1030679906 /nfs/dbraw/zinc/67/99/06/1030679906.db2.gz BMKZPGKBFPCCLH-GOSISDBHSA-N 1 2 328.460 3.577 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810178 1030679912 /nfs/dbraw/zinc/67/99/12/1030679912.db2.gz BMKZPGKBFPCCLH-GOSISDBHSA-N 1 2 328.460 3.577 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000170650929 1030691946 /nfs/dbraw/zinc/69/19/46/1030691946.db2.gz KGYAMJJBYRJBKH-UHFFFAOYSA-N 1 2 332.423 3.583 20 0 EHADLO Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000527190149 1030702080 /nfs/dbraw/zinc/70/20/80/1030702080.db2.gz ODRSADFEBAAQME-UHFFFAOYSA-N 1 2 343.324 3.560 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1)N1CCCCCC1 ZINC000360035575 1030717998 /nfs/dbraw/zinc/71/79/98/1030717998.db2.gz JVZKZCACKJIERS-KRWDZBQOSA-N 1 2 341.455 3.757 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)N1CCCCCC1 ZINC000360035575 1030718007 /nfs/dbraw/zinc/71/80/07/1030718007.db2.gz JVZKZCACKJIERS-KRWDZBQOSA-N 1 2 341.455 3.757 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235616 1030725840 /nfs/dbraw/zinc/72/58/40/1030725840.db2.gz LRXMWZQVMCOPIW-NVXWUHKLSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235616 1030725859 /nfs/dbraw/zinc/72/58/59/1030725859.db2.gz LRXMWZQVMCOPIW-NVXWUHKLSA-N 1 2 337.467 3.750 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000527324519 1030795398 /nfs/dbraw/zinc/79/53/98/1030795398.db2.gz KZOMQRBWHVYASU-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO CCc1nc(CN(C)Cc2c[nH+]cn2Cc2ccccc2)cs1 ZINC000527324770 1030796717 /nfs/dbraw/zinc/79/67/17/1030796717.db2.gz QLDNPIUUEPGTPJ-UHFFFAOYSA-N 1 2 326.469 3.582 20 0 EHADLO O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000115015707 1030809367 /nfs/dbraw/zinc/80/93/67/1030809367.db2.gz OLGXVMANMVTRTA-LJQANCHMSA-N 1 2 333.391 3.515 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)NCCCNc1cccc[nH+]1 ZINC000115160743 1030823994 /nfs/dbraw/zinc/82/39/94/1030823994.db2.gz GZJNQVNHYPACGG-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000172169102 1030841928 /nfs/dbraw/zinc/84/19/28/1030841928.db2.gz VCBJGSHSFZQORN-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000172169102 1030841946 /nfs/dbraw/zinc/84/19/46/1030841946.db2.gz VCBJGSHSFZQORN-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000157781942 1030842135 /nfs/dbraw/zinc/84/21/35/1030842135.db2.gz LZRKLWGYFLMGSZ-MRXNPFEDSA-N 1 2 325.456 3.803 20 0 EHADLO Fc1c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cccc1OC1CC1 ZINC000668175996 1030854634 /nfs/dbraw/zinc/85/46/34/1030854634.db2.gz FWKHEKRYTRHGHP-UHFFFAOYSA-N 1 2 341.382 3.740 20 0 EHADLO Fc1c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cccc1OC1CC1 ZINC000668175996 1030854650 /nfs/dbraw/zinc/85/46/50/1030854650.db2.gz FWKHEKRYTRHGHP-UHFFFAOYSA-N 1 2 341.382 3.740 20 0 EHADLO CCSc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000172215185 1030871573 /nfs/dbraw/zinc/87/15/73/1030871573.db2.gz LYGDGSYNADHCTD-UHFFFAOYSA-N 1 2 330.457 3.817 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(C)nn(C)c2Cl)s1 ZINC000130814576 1030873324 /nfs/dbraw/zinc/87/33/24/1030873324.db2.gz OIYJQKXCSXSNDR-LLVKDONJSA-N 1 2 326.897 3.902 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(C)nn(C)c2Cl)s1 ZINC000130814576 1030873340 /nfs/dbraw/zinc/87/33/40/1030873340.db2.gz OIYJQKXCSXSNDR-LLVKDONJSA-N 1 2 326.897 3.902 20 0 EHADLO COC[C@@H](CC1CCOCC1)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000668183693 1030888589 /nfs/dbraw/zinc/88/85/89/1030888589.db2.gz MLUAYQGOSPDCGU-LJQANCHMSA-N 1 2 343.471 3.733 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097270149 1030909846 /nfs/dbraw/zinc/90/98/46/1030909846.db2.gz JRUZEKMSLCPVOF-ZDUSSCGKSA-N 1 2 334.847 3.893 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097270149 1030909860 /nfs/dbraw/zinc/90/98/60/1030909860.db2.gz JRUZEKMSLCPVOF-ZDUSSCGKSA-N 1 2 334.847 3.893 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760145070 1030936071 /nfs/dbraw/zinc/93/60/71/1030936071.db2.gz IOIBYRKVYHDDLS-BBRMVZONSA-N 1 2 349.862 3.535 20 0 EHADLO Cc1ccc(OCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000097676733 1030949656 /nfs/dbraw/zinc/94/96/56/1030949656.db2.gz FSVDCPNZYWAQQW-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000527532892 1030952566 /nfs/dbraw/zinc/95/25/66/1030952566.db2.gz FGEACBJQAFRHJU-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000527532892 1030952574 /nfs/dbraw/zinc/95/25/74/1030952574.db2.gz FGEACBJQAFRHJU-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CC[C@]1(Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527536920 1030994356 /nfs/dbraw/zinc/99/43/56/1030994356.db2.gz TZVVGILBIABRGW-HXUWFJFHSA-N 1 2 325.456 3.677 20 0 EHADLO CC1(C)CCCC[C@H]1CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000157985394 1030996223 /nfs/dbraw/zinc/99/62/23/1030996223.db2.gz ZGVQQWBXCZPPJF-INIZCTEOSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1c(NC2CCN(c3cccc[nH+]3)CC2)cnn1C1CCCC1 ZINC000278473928 1031013334 /nfs/dbraw/zinc/01/33/34/1031013334.db2.gz OAYRCHXZOKFPRF-UHFFFAOYSA-N 1 2 325.460 3.783 20 0 EHADLO COCC[N@H+](Cc1ncc(C(F)(F)F)s1)[C@H]1CCCSC1 ZINC000448367339 1031019825 /nfs/dbraw/zinc/01/98/25/1031019825.db2.gz QNJPQVRMQHMYSN-JTQLQIEISA-N 1 2 340.436 3.506 20 0 EHADLO COCC[N@@H+](Cc1ncc(C(F)(F)F)s1)[C@H]1CCCSC1 ZINC000448367339 1031019842 /nfs/dbraw/zinc/01/98/42/1031019842.db2.gz QNJPQVRMQHMYSN-JTQLQIEISA-N 1 2 340.436 3.506 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1F ZINC000527615224 1031037510 /nfs/dbraw/zinc/03/75/10/1031037510.db2.gz RUAGIBQONZGCRU-LLVKDONJSA-N 1 2 342.187 3.618 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1F ZINC000527615224 1031037524 /nfs/dbraw/zinc/03/75/24/1031037524.db2.gz RUAGIBQONZGCRU-LLVKDONJSA-N 1 2 342.187 3.618 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000343485171 1031074321 /nfs/dbraw/zinc/07/43/21/1031074321.db2.gz XRUOSWRLXIBTSU-UHFFFAOYSA-N 1 2 331.265 3.514 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173569273 1031114681 /nfs/dbraw/zinc/11/46/81/1031114681.db2.gz FSIMLLGMGGBCBC-IBGZPJMESA-N 1 2 333.435 3.966 20 0 EHADLO COc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000278499502 1031127377 /nfs/dbraw/zinc/12/73/77/1031127377.db2.gz KMKNFLZVKJQGMY-CXAGYDPISA-N 1 2 342.443 3.624 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247568017 1031129936 /nfs/dbraw/zinc/12/99/36/1031129936.db2.gz LEMXVFSFQGLOKQ-IEZWGBDMSA-N 1 2 340.471 3.854 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000247627973 1031140450 /nfs/dbraw/zinc/14/04/50/1031140450.db2.gz NPZFEFXPPDUXCB-JDFRZJQESA-N 1 2 346.500 3.915 20 0 EHADLO C[C@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000483415044 1031152011 /nfs/dbraw/zinc/15/20/11/1031152011.db2.gz ZIPQDRZZURDKDE-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000483415044 1031152021 /nfs/dbraw/zinc/15/20/21/1031152021.db2.gz ZIPQDRZZURDKDE-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO Fc1ccc(SCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000343505243 1031158799 /nfs/dbraw/zinc/15/87/99/1031158799.db2.gz DBEXUUUHKKQIDO-QGZVFWFLSA-N 1 2 342.443 3.805 20 0 EHADLO CC1(C)CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000343503094 1031161337 /nfs/dbraw/zinc/16/13/37/1031161337.db2.gz MAXZQTBJOMTKIS-UHFFFAOYSA-N 1 2 325.456 3.559 20 0 EHADLO CC1(C)C[N@H+](Cc2cn(-c3ccccc3)nn2)CC[C@H]1C(F)(F)F ZINC000483439911 1031171805 /nfs/dbraw/zinc/17/18/05/1031171805.db2.gz LMQNKUVDQLTOMA-OAHLLOKOSA-N 1 2 338.377 3.678 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nn2)CC[C@H]1C(F)(F)F ZINC000483439911 1031171811 /nfs/dbraw/zinc/17/18/11/1031171811.db2.gz LMQNKUVDQLTOMA-OAHLLOKOSA-N 1 2 338.377 3.678 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(C(=O)NC3CC3)cc2)n1-c1ccccc1 ZINC000174287851 1031188427 /nfs/dbraw/zinc/18/84/27/1031188427.db2.gz RMRQWLQLNILORW-UHFFFAOYSA-N 1 2 346.434 3.685 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)SCc1cc(OC)cc(C)[nH+]1 ZINC000477038624 1031196427 /nfs/dbraw/zinc/19/64/27/1031196427.db2.gz CHMOAEYOHVTYGK-SFHVURJKSA-N 1 2 345.464 3.725 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000551304505 1031206918 /nfs/dbraw/zinc/20/69/18/1031206918.db2.gz HJBITUIJTSZIPB-KURKYZTESA-N 1 2 346.450 3.607 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCO[C@@H]3CCCC[C@H]3C)CCO2)c1 ZINC000483518048 1031207169 /nfs/dbraw/zinc/20/71/69/1031207169.db2.gz HLRVOYMDPCDLSB-AHRSYUTCSA-N 1 2 333.472 3.664 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCO[C@@H]3CCCC[C@H]3C)CCO2)c1 ZINC000483518048 1031207184 /nfs/dbraw/zinc/20/71/84/1031207184.db2.gz HLRVOYMDPCDLSB-AHRSYUTCSA-N 1 2 333.472 3.664 20 0 EHADLO CCC[C@](C)(CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000483597341 1031234671 /nfs/dbraw/zinc/23/46/71/1031234671.db2.gz DWTGBLWRQQULGK-FQEVSTJZSA-N 1 2 332.488 3.982 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000158359921 1031278397 /nfs/dbraw/zinc/27/83/97/1031278397.db2.gz ZMFLAFZWVJUXMK-GFCCVEGCSA-N 1 2 346.381 3.903 20 0 EHADLO c1ccn2c(c1)nnc2C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527829255 1031295897 /nfs/dbraw/zinc/29/58/97/1031295897.db2.gz AOXCEYRVRLVQAY-UHFFFAOYSA-N 1 2 329.407 3.662 20 0 EHADLO O=C(NCc1ccccc1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527833120 1031301486 /nfs/dbraw/zinc/30/14/86/1031301486.db2.gz OCHDHWSTHXWUKT-UHFFFAOYSA-N 1 2 345.446 3.768 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000343537191 1031311141 /nfs/dbraw/zinc/31/11/41/1031311141.db2.gz ICGDDUQUMMVFEO-OPYAIIAOSA-N 1 2 339.483 3.503 20 0 EHADLO O=C(NC1CCN(c2[nH+]ccc3ccccc32)CC1)c1ccsc1 ZINC000527860257 1031339423 /nfs/dbraw/zinc/33/94/23/1031339423.db2.gz WKIJFDTYYHNIIV-UHFFFAOYSA-N 1 2 337.448 3.695 20 0 EHADLO CCCCOCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000347346303 1031355604 /nfs/dbraw/zinc/35/56/04/1031355604.db2.gz TZLADJCCPXZKRB-LBPRGKRZSA-N 1 2 335.370 3.518 20 0 EHADLO CCCCOCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000347346303 1031355621 /nfs/dbraw/zinc/35/56/21/1031355621.db2.gz TZLADJCCPXZKRB-LBPRGKRZSA-N 1 2 335.370 3.518 20 0 EHADLO Fc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000551462406 1031356749 /nfs/dbraw/zinc/35/67/49/1031356749.db2.gz BEUHESPZYMYYSV-UHFFFAOYSA-N 1 2 338.317 3.927 20 0 EHADLO C[C@@](Cc1ccccc1)(NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000666077974 1031380252 /nfs/dbraw/zinc/38/02/52/1031380252.db2.gz PYOFDQRUZPELSJ-QFIPXVFZSA-N 1 2 347.462 3.938 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000668296911 1031418134 /nfs/dbraw/zinc/41/81/34/1031418134.db2.gz BGDPBIIPXXCEJQ-HNNXBMFYSA-N 1 2 327.424 3.625 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000668296911 1031418140 /nfs/dbraw/zinc/41/81/40/1031418140.db2.gz BGDPBIIPXXCEJQ-HNNXBMFYSA-N 1 2 327.424 3.625 20 0 EHADLO COc1ccccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000082740714 1031425591 /nfs/dbraw/zinc/42/55/91/1031425591.db2.gz OUTXCLXBFTXRHS-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO COc1ccccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000082740714 1031425603 /nfs/dbraw/zinc/42/56/03/1031425603.db2.gz OUTXCLXBFTXRHS-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)no2)cc1 ZINC000177187641 1031521370 /nfs/dbraw/zinc/52/13/70/1031521370.db2.gz OOKVCCAJIOHEMJ-JKSUJKDBSA-N 1 2 345.468 3.605 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)no2)cc1 ZINC000177187641 1031521382 /nfs/dbraw/zinc/52/13/82/1031521382.db2.gz OOKVCCAJIOHEMJ-JKSUJKDBSA-N 1 2 345.468 3.605 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000194835084 1031558500 /nfs/dbraw/zinc/55/85/00/1031558500.db2.gz MKQCACRKJHOMMR-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000347438388 1031579068 /nfs/dbraw/zinc/57/90/68/1031579068.db2.gz WTXUQCDJGZJDDR-HYVNUMGLSA-N 1 2 343.858 3.583 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000667016888 1031664793 /nfs/dbraw/zinc/66/47/93/1031664793.db2.gz BLXOOPPVARSBGM-ZIAGYGMSSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000667016888 1031664802 /nfs/dbraw/zinc/66/48/02/1031664802.db2.gz BLXOOPPVARSBGM-ZIAGYGMSSA-N 1 2 347.484 3.785 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CC(C)(C)OC4(C)C)n3)[nH+]c12 ZINC000528121868 1031715861 /nfs/dbraw/zinc/71/58/61/1031715861.db2.gz RHRGJASDVIPIAC-AWEZNQCLSA-N 1 2 340.427 3.678 20 0 EHADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528101437 1031723212 /nfs/dbraw/zinc/72/32/12/1031723212.db2.gz RZMQEDSVKBSYGW-SZOQZIPDSA-N 1 2 338.411 3.508 20 0 EHADLO COc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000117566706 1031754289 /nfs/dbraw/zinc/75/42/89/1031754289.db2.gz BBONFMBBHXERAX-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1cc(CN2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(C)cc1O ZINC001279237036 1031767762 /nfs/dbraw/zinc/76/77/62/1031767762.db2.gz JGCDTBLOLGCXEQ-UHFFFAOYSA-N 1 2 342.405 3.612 20 0 EHADLO Cc1cc(CN2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(C)cc1O ZINC001279237036 1031767772 /nfs/dbraw/zinc/76/77/72/1031767772.db2.gz JGCDTBLOLGCXEQ-UHFFFAOYSA-N 1 2 342.405 3.612 20 0 EHADLO C[N@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)Cc1cccs1 ZINC000477681104 1031779885 /nfs/dbraw/zinc/77/98/85/1031779885.db2.gz UMNVKLFKWODKQZ-UHFFFAOYSA-N 1 2 343.477 3.942 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)Cc1cccs1 ZINC000477681104 1031779898 /nfs/dbraw/zinc/77/98/98/1031779898.db2.gz UMNVKLFKWODKQZ-UHFFFAOYSA-N 1 2 343.477 3.942 20 0 EHADLO O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117614719 1031780565 /nfs/dbraw/zinc/78/05/65/1031780565.db2.gz LOIWFAWVCWEROI-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1ccc2cccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c2n1 ZINC000117647288 1031787475 /nfs/dbraw/zinc/78/74/75/1031787475.db2.gz DZQJBPQFBDEBLO-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COc1ccccc1CC(C)(C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117652370 1031788226 /nfs/dbraw/zinc/78/82/26/1031788226.db2.gz SCXVKGFDQCAZHB-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO CCO[C@H](c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)C1CCCC1 ZINC000904143916 1031789227 /nfs/dbraw/zinc/78/92/27/1031789227.db2.gz SVCHHRSDQPYBBZ-INIZCTEOSA-N 1 2 339.399 3.585 20 0 EHADLO Cc1ccncc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000343653889 1031794772 /nfs/dbraw/zinc/79/47/72/1031794772.db2.gz GJZGEXNUPLUZOZ-UHFFFAOYSA-N 1 2 342.512 3.826 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(Cc2cccc(Cl)c2)CC1 ZINC000448891359 1031840525 /nfs/dbraw/zinc/84/05/25/1031840525.db2.gz RJQWIGADEGKYAD-OAHLLOKOSA-N 1 2 343.858 3.792 20 0 EHADLO O=C(C[C@@H]1CCOc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000117752920 1031847562 /nfs/dbraw/zinc/84/75/62/1031847562.db2.gz QPEUTVRJZSKPNG-HNNXBMFYSA-N 1 2 333.391 3.767 20 0 EHADLO CC[N@H+](Cc1ccc(OC)nc1)Cc1ccccc1Br ZINC000343676978 1031888988 /nfs/dbraw/zinc/88/89/88/1031888988.db2.gz MIBIZZHFNYGLJI-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)nc1)Cc1ccccc1Br ZINC000343676978 1031888996 /nfs/dbraw/zinc/88/89/96/1031888996.db2.gz MIBIZZHFNYGLJI-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(Cc2ccc(SC3CC3)cc2)n1 ZINC000904265159 1031892406 /nfs/dbraw/zinc/89/24/06/1031892406.db2.gz HJIJOIGLGICTJQ-UHFFFAOYSA-N 1 2 338.436 3.868 20 0 EHADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928105 1031902566 /nfs/dbraw/zinc/90/25/66/1031902566.db2.gz KPZQVWBYCLISEE-ROUUACIJSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000904257177 1031904827 /nfs/dbraw/zinc/90/48/27/1031904827.db2.gz REKZZWOJTBKLRD-UHFFFAOYSA-N 1 2 338.436 3.803 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2cc(C3CC3)n(C(C)(C)C)n2)n1 ZINC000904258851 1031905351 /nfs/dbraw/zinc/90/53/51/1031905351.db2.gz UMEZNCCASWFJFX-UHFFFAOYSA-N 1 2 338.415 3.518 20 0 EHADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927889 1031905298 /nfs/dbraw/zinc/90/52/98/1031905298.db2.gz JRUJYKAENBOONO-UZLBHIALSA-N 1 2 329.488 3.905 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000180872112 1031920275 /nfs/dbraw/zinc/92/02/75/1031920275.db2.gz IHLZIXVQMHMWDT-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000180872112 1031920295 /nfs/dbraw/zinc/92/02/95/1031920295.db2.gz IHLZIXVQMHMWDT-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000455910574 1031960085 /nfs/dbraw/zinc/96/00/85/1031960085.db2.gz PVBZNIWZTWTBDD-WMLDXEAASA-N 1 2 342.443 3.569 20 0 EHADLO Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000904341819 1031960625 /nfs/dbraw/zinc/96/06/25/1031960625.db2.gz WLJUFHDEHCPWPM-OAHLLOKOSA-N 1 2 336.361 3.805 20 0 EHADLO Nc1ccc(C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000904341819 1031960638 /nfs/dbraw/zinc/96/06/38/1031960638.db2.gz WLJUFHDEHCPWPM-OAHLLOKOSA-N 1 2 336.361 3.805 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380336 1031979785 /nfs/dbraw/zinc/97/97/85/1031979785.db2.gz HBUKRGGXBGUCNG-IRXDYDNUSA-N 1 2 346.519 3.642 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380336 1031979799 /nfs/dbraw/zinc/97/97/99/1031979799.db2.gz HBUKRGGXBGUCNG-IRXDYDNUSA-N 1 2 346.519 3.642 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000343699794 1031996143 /nfs/dbraw/zinc/99/61/43/1031996143.db2.gz SOLBFTXKZQKXDL-QGZVFWFLSA-N 1 2 349.409 3.952 20 0 EHADLO COc1nccnc1C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000449016385 1032026352 /nfs/dbraw/zinc/02/63/52/1032026352.db2.gz VYCYNPGLIYBONP-JTQLQIEISA-N 1 2 326.227 3.985 20 0 EHADLO COc1nccnc1C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000449016385 1032026370 /nfs/dbraw/zinc/02/63/70/1032026370.db2.gz VYCYNPGLIYBONP-JTQLQIEISA-N 1 2 326.227 3.985 20 0 EHADLO Cn1c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)nnc1C1CCC1 ZINC000181760248 1032032719 /nfs/dbraw/zinc/03/27/19/1032032719.db2.gz PBCVAUJNQCJRCI-UHFFFAOYSA-N 1 2 346.425 3.920 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000584277983 1032045415 /nfs/dbraw/zinc/04/54/15/1032045415.db2.gz HGNYWDLZKBNTME-CWTRNNRKSA-N 1 2 338.842 3.721 20 0 EHADLO Cc1cccc(C)c1C[N@H+](C)Cn1c(-c2ccccn2)csc1=O ZINC000904439961 1032049031 /nfs/dbraw/zinc/04/90/31/1032049031.db2.gz UIUUYODEYADHBQ-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO Cc1cccc(C)c1C[N@@H+](C)Cn1c(-c2ccccn2)csc1=O ZINC000904439961 1032049045 /nfs/dbraw/zinc/04/90/45/1032049045.db2.gz UIUUYODEYADHBQ-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000574635298 1033328319 /nfs/dbraw/zinc/32/83/19/1033328319.db2.gz LAHIXJPOSDUTPP-GJZGRUSLSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000574635298 1033328332 /nfs/dbraw/zinc/32/83/32/1033328332.db2.gz LAHIXJPOSDUTPP-GJZGRUSLSA-N 1 2 327.428 3.749 20 0 EHADLO O=C(c1ccccc1Cl)C1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000898129605 1033341693 /nfs/dbraw/zinc/34/16/93/1033341693.db2.gz QMHPVOAPZNITKR-UHFFFAOYSA-N 1 2 343.858 3.578 20 0 EHADLO CCc1nn(C)cc1C[N@H+](Cc1cccnc1)Cc1ccccc1C ZINC000685455695 1033349750 /nfs/dbraw/zinc/34/97/50/1033349750.db2.gz MCUGNCDGEKIDMW-UHFFFAOYSA-N 1 2 334.467 3.888 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](Cc1cccnc1)Cc1ccccc1C ZINC000685455695 1033349766 /nfs/dbraw/zinc/34/97/66/1033349766.db2.gz MCUGNCDGEKIDMW-UHFFFAOYSA-N 1 2 334.467 3.888 20 0 EHADLO C[C@H](CC(=O)N1CCOc2cc(Cl)c(Cl)cc21)n1cc[nH+]c1 ZINC000574693857 1033359732 /nfs/dbraw/zinc/35/97/32/1033359732.db2.gz DMXOMANZJTWPOV-SNVBAGLBSA-N 1 2 340.210 3.567 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120120338 1033380505 /nfs/dbraw/zinc/38/05/05/1033380505.db2.gz CIIWBFCYBFPDPF-UHFFFAOYSA-N 1 2 345.443 3.763 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120120338 1033380516 /nfs/dbraw/zinc/38/05/16/1033380516.db2.gz CIIWBFCYBFPDPF-UHFFFAOYSA-N 1 2 345.443 3.763 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173537735 1033382579 /nfs/dbraw/zinc/38/25/79/1033382579.db2.gz ZRWNJHNYTGNDFC-GOSISDBHSA-N 1 2 331.485 3.832 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173537735 1033382587 /nfs/dbraw/zinc/38/25/87/1033382587.db2.gz ZRWNJHNYTGNDFC-GOSISDBHSA-N 1 2 331.485 3.832 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1nc(C(F)(F)F)cs1 ZINC000657898527 1033436765 /nfs/dbraw/zinc/43/67/65/1033436765.db2.gz CNVZWFDCWIUJFS-ZJUUUORDSA-N 1 2 330.379 3.934 20 0 EHADLO Cc1cccc(C(NC(=O)NCc2c[nH+]cn2C)c2cccc(C)c2)c1 ZINC000358125911 1033444852 /nfs/dbraw/zinc/44/48/52/1033444852.db2.gz ZFLKNLUHMLMCRS-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO CCOCCC1(C(=O)Nc2nc(C[NH+](CC)CC)cs2)CCC1 ZINC000898313001 1033449986 /nfs/dbraw/zinc/44/99/86/1033449986.db2.gz RFIIDMKGZFTTJV-UHFFFAOYSA-N 1 2 339.505 3.520 20 0 EHADLO C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2 ZINC000608053427 1033470148 /nfs/dbraw/zinc/47/01/48/1033470148.db2.gz VNJCRQCKUVLUQL-LBPRGKRZSA-N 1 2 328.391 3.741 20 0 EHADLO CC(C)(C)CCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000598805608 1033474304 /nfs/dbraw/zinc/47/43/04/1033474304.db2.gz GKFFKGGSOPQBFE-UHFFFAOYSA-N 1 2 343.471 3.938 20 0 EHADLO COc1ccccc1N(C(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000563951350 1033487862 /nfs/dbraw/zinc/48/78/62/1033487862.db2.gz KSHQRMIOYUFAPH-UHFFFAOYSA-N 1 2 337.423 3.635 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(C2CCCC2)CC1 ZINC000608170871 1033523960 /nfs/dbraw/zinc/52/39/60/1033523960.db2.gz SEFQQILJTSTPIV-UHFFFAOYSA-N 1 2 337.467 3.974 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608260398 1033555452 /nfs/dbraw/zinc/55/54/52/1033555452.db2.gz LXRNWYNAVYUGKB-GOSISDBHSA-N 1 2 334.423 3.834 20 0 EHADLO Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574819334 1033572295 /nfs/dbraw/zinc/57/22/95/1033572295.db2.gz BUIPRMZRFXUQMH-KRWDZBQOSA-N 1 2 348.450 3.521 20 0 EHADLO Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574819334 1033572304 /nfs/dbraw/zinc/57/23/04/1033572304.db2.gz BUIPRMZRFXUQMH-KRWDZBQOSA-N 1 2 348.450 3.521 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762804 1033583159 /nfs/dbraw/zinc/58/31/59/1033583159.db2.gz RZKVTRZRYDPGEX-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762804 1033583170 /nfs/dbraw/zinc/58/31/70/1033583170.db2.gz RZKVTRZRYDPGEX-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000685598251 1033607243 /nfs/dbraw/zinc/60/72/43/1033607243.db2.gz ACDBJMRPOSXXIM-SFHVURJKSA-N 1 2 347.462 3.968 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677731792 1033612740 /nfs/dbraw/zinc/61/27/40/1033612740.db2.gz ODEARCQJPMUDQX-RKDXNWHRSA-N 1 2 337.197 3.907 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677731792 1033612747 /nfs/dbraw/zinc/61/27/47/1033612747.db2.gz ODEARCQJPMUDQX-RKDXNWHRSA-N 1 2 337.197 3.907 20 0 EHADLO CC[C@](C)(NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc(C)cs1 ZINC000608313730 1033615100 /nfs/dbraw/zinc/61/51/00/1033615100.db2.gz KZROHWRSMGUTIX-INIZCTEOSA-N 1 2 329.429 3.546 20 0 EHADLO O=C(Nc1ccc(-c2ccccc2)cc1F)N1CCn2c[nH+]cc2C1 ZINC000685623259 1033636173 /nfs/dbraw/zinc/63/61/73/1033636173.db2.gz ZWOWODGJJNEAMD-UHFFFAOYSA-N 1 2 336.370 3.737 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608390743 1033671026 /nfs/dbraw/zinc/67/10/26/1033671026.db2.gz GANKUZGRHHRPFX-NJAFHUGGSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608409713 1033697829 /nfs/dbraw/zinc/69/78/29/1033697829.db2.gz AHFFUXKHROTGQU-BPQIPLTHSA-N 1 2 340.471 3.582 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)s1 ZINC000599068959 1033709475 /nfs/dbraw/zinc/70/94/75/1033709475.db2.gz RGXMDCRVPYCFNW-ABAIWWIYSA-N 1 2 331.441 3.517 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000529255377 1033713205 /nfs/dbraw/zinc/71/32/05/1033713205.db2.gz WRQJXRVCSUSMRP-UHFFFAOYSA-N 1 2 336.798 3.922 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608461403 1033717766 /nfs/dbraw/zinc/71/77/66/1033717766.db2.gz WBFMUMUCOVCRBH-LZLYRXPVSA-N 1 2 342.487 3.828 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)[C@H](C)CO1 ZINC000608498607 1033730941 /nfs/dbraw/zinc/73/09/41/1033730941.db2.gz ACDWWTZRSNHZKG-WWMYMODYSA-N 1 2 339.435 3.597 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)[C@H](C)CO1 ZINC000608498607 1033730954 /nfs/dbraw/zinc/73/09/54/1033730954.db2.gz ACDWWTZRSNHZKG-WWMYMODYSA-N 1 2 339.435 3.597 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502460 1033734539 /nfs/dbraw/zinc/73/45/39/1033734539.db2.gz KYHKNGKIVHVSSJ-UHFFFAOYSA-N 1 2 339.487 3.681 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529284052 1033734904 /nfs/dbraw/zinc/73/49/04/1033734904.db2.gz BCUSTWGJWGEDLX-CQSZACIVSA-N 1 2 344.846 3.963 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000450115852 1033766432 /nfs/dbraw/zinc/76/64/32/1033766432.db2.gz QADZBZDQUMEFBO-AFYVEPGGSA-N 1 2 337.467 3.877 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000608566363 1033768623 /nfs/dbraw/zinc/76/86/23/1033768623.db2.gz GSKNXEXHUIQUAK-UHFFFAOYSA-N 1 2 328.456 3.730 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@](C)(c4ccc(C)cc4)C3)ccn12 ZINC000575071368 1033775291 /nfs/dbraw/zinc/77/52/91/1033775291.db2.gz WMTYKJBJTASCAE-NRFANRHFSA-N 1 2 333.435 3.755 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)NC2CC2)c2ccc(F)cc2Cl)cc1 ZINC000108352068 1033788542 /nfs/dbraw/zinc/78/85/42/1033788542.db2.gz NYXGOOYLHBYTDQ-LJQANCHMSA-N 1 2 346.833 3.745 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000595450825 1033813496 /nfs/dbraw/zinc/81/34/96/1033813496.db2.gz FKLXXZVAMCPKDC-KRWDZBQOSA-N 1 2 339.439 3.682 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)c1ccc(F)cc1F ZINC000550662141 1033832045 /nfs/dbraw/zinc/83/20/45/1033832045.db2.gz RQFWVOZKLWMPAU-ZUZCIYMTSA-N 1 2 334.395 3.627 20 0 EHADLO CC[N@H+](Cc1noc2c1CCCC2)Cc1ccc(OC)c(OC)c1 ZINC000595553397 1033858468 /nfs/dbraw/zinc/85/84/68/1033858468.db2.gz TWOSKYUHRQBQIH-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO CC[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(OC)c(OC)c1 ZINC000595553397 1033858481 /nfs/dbraw/zinc/85/84/81/1033858481.db2.gz TWOSKYUHRQBQIH-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000176954646 1033866721 /nfs/dbraw/zinc/86/67/21/1033866721.db2.gz LLMDPKNQURMMAG-UHFFFAOYSA-N 1 2 336.457 3.868 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000176954646 1033866732 /nfs/dbraw/zinc/86/67/32/1033866732.db2.gz LLMDPKNQURMMAG-UHFFFAOYSA-N 1 2 336.457 3.868 20 0 EHADLO COC[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(C)o1 ZINC000084673488 1033919964 /nfs/dbraw/zinc/91/99/64/1033919964.db2.gz CYNZFFCGRHCMGO-HNNXBMFYSA-N 1 2 329.425 3.584 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)cc3C)cn2c1 ZINC000055254628 1033940140 /nfs/dbraw/zinc/94/01/40/1033940140.db2.gz FZVIZCBZZZHKOP-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO CCC(CC)(C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000603813487 1033943463 /nfs/dbraw/zinc/94/34/63/1033943463.db2.gz BEALHKJRBQBSNG-UHFFFAOYSA-N 1 2 331.847 3.678 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(Cl)cc1O)C2 ZINC000476489095 1033951672 /nfs/dbraw/zinc/95/16/72/1033951672.db2.gz ZRNPDVRJTMPBED-SNVBAGLBSA-N 1 2 333.819 3.636 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(CCc3ccccc3)n2)c1 ZINC000450237418 1033957389 /nfs/dbraw/zinc/95/73/89/1033957389.db2.gz MGXNHEMJYFCDME-UHFFFAOYSA-N 1 2 335.451 3.766 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(CCc3ccccc3)n2)c1 ZINC000450237418 1033957402 /nfs/dbraw/zinc/95/74/02/1033957402.db2.gz MGXNHEMJYFCDME-UHFFFAOYSA-N 1 2 335.451 3.766 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000669700011 1033958054 /nfs/dbraw/zinc/95/80/54/1033958054.db2.gz LOUMUFNVLSRUAO-WBMJQRKESA-N 1 2 341.377 3.786 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cs1 ZINC000658107147 1033961864 /nfs/dbraw/zinc/96/18/64/1033961864.db2.gz OJVMHSUXPNHVLZ-TZMCWYRMSA-N 1 2 329.469 3.505 20 0 EHADLO C[N@H+](CCCC(=O)c1ccc(F)cc1)Cc1nccn1C(F)F ZINC000450251400 1033967118 /nfs/dbraw/zinc/96/71/18/1033967118.db2.gz BBNAPYXTBCYXRX-UHFFFAOYSA-N 1 2 325.334 3.512 20 0 EHADLO C[N@@H+](CCCC(=O)c1ccc(F)cc1)Cc1nccn1C(F)F ZINC000450251400 1033967132 /nfs/dbraw/zinc/96/71/32/1033967132.db2.gz BBNAPYXTBCYXRX-UHFFFAOYSA-N 1 2 325.334 3.512 20 0 EHADLO O=C(COc1c(Cl)cccc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000603882733 1034005687 /nfs/dbraw/zinc/00/56/87/1034005687.db2.gz WMXQOHIQXFRVNO-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO CCc1cc(CCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)on1 ZINC000450269684 1034016278 /nfs/dbraw/zinc/01/62/78/1034016278.db2.gz NQSZNUPQSFKJNW-SFHVURJKSA-N 1 2 334.847 3.897 20 0 EHADLO CCc1cc(CCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)on1 ZINC000450269684 1034016292 /nfs/dbraw/zinc/01/62/92/1034016292.db2.gz NQSZNUPQSFKJNW-SFHVURJKSA-N 1 2 334.847 3.897 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cnn(C2CCCC2)c1 ZINC000548861214 1034039447 /nfs/dbraw/zinc/03/94/47/1034039447.db2.gz QMWDOTMIEQKAEC-CABCVRRESA-N 1 2 342.491 3.728 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000596055171 1034056262 /nfs/dbraw/zinc/05/62/62/1034056262.db2.gz OIZKILSNSZNIKP-LLVKDONJSA-N 1 2 349.228 3.733 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)cc1OC ZINC000603948861 1034066757 /nfs/dbraw/zinc/06/67/57/1034066757.db2.gz OJBIOAFQIILZHQ-LBPRGKRZSA-N 1 2 343.402 3.580 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCc2c1cccc2Cl ZINC000056902559 1034074926 /nfs/dbraw/zinc/07/49/26/1034074926.db2.gz OQSWQIXKEGRNGK-INIZCTEOSA-N 1 2 344.846 3.524 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H](C)c2cc(C)n(C)n2)s1 ZINC000658226475 1034086133 /nfs/dbraw/zinc/08/61/33/1034086133.db2.gz PTHMWJNHRPSOOW-SNVBAGLBSA-N 1 2 328.279 3.712 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1F ZINC000658223486 1034079263 /nfs/dbraw/zinc/07/92/63/1034079263.db2.gz JVSUVLXPKIITQT-CYBMUJFWSA-N 1 2 336.794 3.886 20 0 EHADLO CCCCN(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870362 1034087299 /nfs/dbraw/zinc/08/72/99/1034087299.db2.gz BMSFLXZICZPVLE-KRWDZBQOSA-N 1 2 328.460 3.536 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)CCC(C)(C)C ZINC000119209122 1034113659 /nfs/dbraw/zinc/11/36/59/1034113659.db2.gz CDWJUELXHKOCBF-CQSZACIVSA-N 1 2 348.491 3.563 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(C)cc2OCC2CC2)c1 ZINC000596166023 1034115575 /nfs/dbraw/zinc/11/55/75/1034115575.db2.gz WYVBSKNBWDWJHU-UHFFFAOYSA-N 1 2 340.423 3.506 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000596218010 1034125206 /nfs/dbraw/zinc/12/52/06/1034125206.db2.gz RALWVCZGWVTSSU-RDJZCZTQSA-N 1 2 328.387 3.684 20 0 EHADLO CCCCc1nc(C[N@H+](CC)[C@H](C)Cc2ccc(OC)cc2)no1 ZINC000596222437 1034125478 /nfs/dbraw/zinc/12/54/78/1034125478.db2.gz IJGKLVMXPUWBNG-OAHLLOKOSA-N 1 2 331.460 3.874 20 0 EHADLO CCCCc1nc(C[N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)no1 ZINC000596222437 1034125492 /nfs/dbraw/zinc/12/54/92/1034125492.db2.gz IJGKLVMXPUWBNG-OAHLLOKOSA-N 1 2 331.460 3.874 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3ccc(F)cc3C)CC2)c1 ZINC000596238309 1034131658 /nfs/dbraw/zinc/13/16/58/1034131658.db2.gz PLBDYTCAXQRKPW-UHFFFAOYSA-N 1 2 342.414 3.629 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2csc(-c3ccc(C)o3)n2)[C@@H](C)C1 ZINC000599705836 1034131950 /nfs/dbraw/zinc/13/19/50/1034131950.db2.gz IKQSEKGMMQXVGL-RYUDHWBXSA-N 1 2 348.468 3.874 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(C(F)(F)F)cc2C)c1 ZINC000596204371 1034138186 /nfs/dbraw/zinc/13/81/86/1034138186.db2.gz QKDZZWYCROJQDV-UHFFFAOYSA-N 1 2 338.329 3.736 20 0 EHADLO Fc1cccnc1N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000534151396 1034207320 /nfs/dbraw/zinc/20/73/20/1034207320.db2.gz XKSZQYDSOZBJLB-KRWDZBQOSA-N 1 2 331.822 3.684 20 0 EHADLO CO[C@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000596373260 1034210259 /nfs/dbraw/zinc/21/02/59/1034210259.db2.gz OZOGMNCHHFQDAU-LJQANCHMSA-N 1 2 335.513 3.567 20 0 EHADLO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000658359651 1034241189 /nfs/dbraw/zinc/24/11/89/1034241189.db2.gz HHALXOPZPVRHIQ-OUJBWJOFSA-N 1 2 341.274 3.678 20 0 EHADLO CC(C)c1nnc(CNc2cc[nH+]c3cc(F)c(Cl)cc23)n1C ZINC000450419565 1034306247 /nfs/dbraw/zinc/30/62/47/1034306247.db2.gz AMSJUNWKKOYDKM-UHFFFAOYSA-N 1 2 333.798 3.891 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)c1 ZINC000604328382 1034329734 /nfs/dbraw/zinc/32/97/34/1034329734.db2.gz MXFJMIDKFISKFB-CVEARBPZSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1nc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)[nH]c1C ZINC000529638714 1034330206 /nfs/dbraw/zinc/33/02/06/1034330206.db2.gz WDDCOHVCWLYEOR-UHFFFAOYSA-N 1 2 343.475 3.522 20 0 EHADLO Cc1[nH]c(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)[nH+]c1C ZINC000529638714 1034330220 /nfs/dbraw/zinc/33/02/20/1034330220.db2.gz WDDCOHVCWLYEOR-UHFFFAOYSA-N 1 2 343.475 3.522 20 0 EHADLO Fc1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc(F)c1F ZINC000389954166 1034342592 /nfs/dbraw/zinc/34/25/92/1034342592.db2.gz YSNHUGBQPNPKJS-UHFFFAOYSA-N 1 2 331.341 3.639 20 0 EHADLO COc1c(Br)cccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529649341 1034352141 /nfs/dbraw/zinc/35/21/41/1034352141.db2.gz RTKSEWUOKDSLQT-UHFFFAOYSA-N 1 2 336.229 3.725 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)o1 ZINC000101995485 1034358545 /nfs/dbraw/zinc/35/85/45/1034358545.db2.gz IUKXPTZBNWUWAT-CQSZACIVSA-N 1 2 338.411 3.643 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)c1ccccc1 ZINC000604389793 1034360379 /nfs/dbraw/zinc/36/03/79/1034360379.db2.gz UPAVDPQAIGPEOM-QGZVFWFLSA-N 1 2 332.488 3.533 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C)c1ccccc1 ZINC000604389793 1034360389 /nfs/dbraw/zinc/36/03/89/1034360389.db2.gz UPAVDPQAIGPEOM-QGZVFWFLSA-N 1 2 332.488 3.533 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)OCC3(C)C)co2)cc1 ZINC000604388868 1034360595 /nfs/dbraw/zinc/36/05/95/1034360595.db2.gz LBBRIDKAGVSOJQ-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)OCC3(C)C)co2)cc1 ZINC000604388868 1034360605 /nfs/dbraw/zinc/36/06/05/1034360605.db2.gz LBBRIDKAGVSOJQ-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO C[C@@H]1COCC[C@H]1Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450491344 1034423530 /nfs/dbraw/zinc/42/35/30/1034423530.db2.gz WSAZSTYPOHPBAT-NOZJJQNGSA-N 1 2 339.208 3.973 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000604581630 1034429358 /nfs/dbraw/zinc/42/93/58/1034429358.db2.gz XQCJYJNLAGDIJJ-IRXDYDNUSA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC2(CCC2)[C@H]1c1ccco1)n1cc[nH+]c1 ZINC000635998122 1034435925 /nfs/dbraw/zinc/43/59/25/1034435925.db2.gz BJVMIUJFXMDTBO-DOTOQJQBSA-N 1 2 327.428 3.817 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096648660 1034467816 /nfs/dbraw/zinc/46/78/16/1034467816.db2.gz FBGBCEHHWGTGJD-ZTVSIKPCSA-N 1 2 348.490 3.723 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000534428754 1034513219 /nfs/dbraw/zinc/51/32/19/1034513219.db2.gz IKKNOBQRQMKHOF-KRWDZBQOSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171726300 1034592010 /nfs/dbraw/zinc/59/20/10/1034592010.db2.gz VPQFAHZFGSPQIG-MRXNPFEDSA-N 1 2 346.434 3.701 20 0 EHADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000647461853 1034600055 /nfs/dbraw/zinc/60/00/55/1034600055.db2.gz HASCCDVULRXDGD-LLVKDONJSA-N 1 2 340.851 3.860 20 0 EHADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000647461853 1034600061 /nfs/dbraw/zinc/60/00/61/1034600061.db2.gz HASCCDVULRXDGD-LLVKDONJSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)c(F)c1 ZINC000534477356 1034600962 /nfs/dbraw/zinc/60/09/62/1034600962.db2.gz KXDXEOZECQGLSA-UHFFFAOYSA-N 1 2 344.430 3.992 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)c(F)c1 ZINC000534477356 1034600973 /nfs/dbraw/zinc/60/09/73/1034600973.db2.gz KXDXEOZECQGLSA-UHFFFAOYSA-N 1 2 344.430 3.992 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000605051617 1034602070 /nfs/dbraw/zinc/60/20/70/1034602070.db2.gz OKRRIGQFPJPUAW-INIZCTEOSA-N 1 2 326.444 3.594 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000605085174 1034622821 /nfs/dbraw/zinc/62/28/21/1034622821.db2.gz SCWDTRQZCRPMEC-INIZCTEOSA-N 1 2 345.324 3.906 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000450639694 1034631762 /nfs/dbraw/zinc/63/17/62/1034631762.db2.gz FASMJONHSCLAEK-OLZOCXBDSA-N 1 2 348.434 3.932 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544264 1034640152 /nfs/dbraw/zinc/64/01/52/1034640152.db2.gz CRAFMPFESBOAOC-OLZOCXBDSA-N 1 2 338.373 3.547 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544264 1034640159 /nfs/dbraw/zinc/64/01/59/1034640159.db2.gz CRAFMPFESBOAOC-OLZOCXBDSA-N 1 2 338.373 3.547 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534526930 1034645605 /nfs/dbraw/zinc/64/56/05/1034645605.db2.gz OMEJWRFEPLQPIU-YWEYNIOJSA-N 1 2 340.492 3.886 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(OC(F)F)c1 ZINC000450671982 1034674183 /nfs/dbraw/zinc/67/41/83/1034674183.db2.gz XNIMAKBHXDMBLJ-SECBINFHSA-N 1 2 325.384 3.868 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)[C@@H](O)c1c(Cl)cccc1Cl ZINC000375842015 1034698257 /nfs/dbraw/zinc/69/82/57/1034698257.db2.gz UJJOEJAJDOTLCB-UOWOHEGISA-N 1 2 340.254 3.806 20 0 EHADLO COc1cccc2c(N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)cc[nH+]c12 ZINC000450674170 1034702526 /nfs/dbraw/zinc/70/25/26/1034702526.db2.gz BDCGYYYEUCJNRE-KYJSFNMBSA-N 1 2 326.440 3.763 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000022966275 1034722407 /nfs/dbraw/zinc/72/24/07/1034722407.db2.gz XRFOWDSIEPVYQU-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000022966275 1034722413 /nfs/dbraw/zinc/72/24/13/1034722413.db2.gz XRFOWDSIEPVYQU-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cccc3ccccc32)cc1OC ZINC000060552787 1034728885 /nfs/dbraw/zinc/72/88/85/1034728885.db2.gz VZWFEBWKNHRZKD-UHFFFAOYSA-N 1 2 336.391 3.694 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2occc2s1 ZINC000605464505 1034749177 /nfs/dbraw/zinc/74/91/77/1034749177.db2.gz JEKOZAYIZBROIU-CQSZACIVSA-N 1 2 340.448 3.841 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2occc2s1 ZINC000605464505 1034749192 /nfs/dbraw/zinc/74/91/92/1034749192.db2.gz JEKOZAYIZBROIU-CQSZACIVSA-N 1 2 340.448 3.841 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000456819039 1034749478 /nfs/dbraw/zinc/74/94/78/1034749478.db2.gz LZBHVVLWDUYWFW-DLBZAZTESA-N 1 2 325.456 3.511 20 0 EHADLO Cc1sccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000601822452 1034771068 /nfs/dbraw/zinc/77/10/68/1034771068.db2.gz BVYCHEVFZPQHRX-UHFFFAOYSA-N 1 2 331.466 3.885 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000456829459 1034774349 /nfs/dbraw/zinc/77/43/49/1034774349.db2.gz CAYGPAINKSDOFM-KBPBESRZSA-N 1 2 334.341 3.536 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2nc3ccccc3s2)c[nH+]1 ZINC000456844184 1034789907 /nfs/dbraw/zinc/78/99/07/1034789907.db2.gz HWVQWMWGUBNDJI-UHFFFAOYSA-N 1 2 325.437 3.557 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456855039 1034811761 /nfs/dbraw/zinc/81/17/61/1034811761.db2.gz RCDLEDUYRLNHOK-RDJZCZTQSA-N 1 2 327.403 3.641 20 0 EHADLO CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000529947094 1034812161 /nfs/dbraw/zinc/81/21/61/1034812161.db2.gz IDXHQUYYNHNYBM-KRWDZBQOSA-N 1 2 329.419 3.597 20 0 EHADLO O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060602489 1034814808 /nfs/dbraw/zinc/81/48/08/1034814808.db2.gz RDMKNIREHNOWMT-UHFFFAOYSA-N 1 2 349.478 3.878 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000605708967 1034820136 /nfs/dbraw/zinc/82/01/36/1034820136.db2.gz ULQISQGPCNHZRT-HNNXBMFYSA-N 1 2 347.459 3.834 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000605708967 1034820146 /nfs/dbraw/zinc/82/01/46/1034820146.db2.gz ULQISQGPCNHZRT-HNNXBMFYSA-N 1 2 347.459 3.834 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450926331 1034950756 /nfs/dbraw/zinc/95/07/56/1034950756.db2.gz LOWNWWSOERAIPE-MRXNPFEDSA-N 1 2 341.352 3.825 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450926331 1034950762 /nfs/dbraw/zinc/95/07/62/1034950762.db2.gz LOWNWWSOERAIPE-MRXNPFEDSA-N 1 2 341.352 3.825 20 0 EHADLO C[N@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000530094710 1034954250 /nfs/dbraw/zinc/95/42/50/1034954250.db2.gz JTSUKVBJIMWXFR-ZDUSSCGKSA-N 1 2 347.409 3.657 20 0 EHADLO C[N@@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000530094710 1034954261 /nfs/dbraw/zinc/95/42/61/1034954261.db2.gz JTSUKVBJIMWXFR-ZDUSSCGKSA-N 1 2 347.409 3.657 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000612458615 1034957372 /nfs/dbraw/zinc/95/73/72/1034957372.db2.gz NSZCOYMRBAMYFQ-LBPRGKRZSA-N 1 2 332.835 3.560 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCC(C)(C)c1ccccc1 ZINC000375952292 1035004363 /nfs/dbraw/zinc/00/43/63/1035004363.db2.gz AVAAAYDGNVFTID-UHFFFAOYSA-N 1 2 339.483 3.936 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000612587739 1035082154 /nfs/dbraw/zinc/08/21/54/1035082154.db2.gz YPGRAYBQEPEITD-GUDVDZBRSA-N 1 2 337.467 3.538 20 0 EHADLO Cc1ccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000066006675 1035096308 /nfs/dbraw/zinc/09/63/08/1035096308.db2.gz OOBYBKQLCHGXTF-MRXNPFEDSA-N 1 2 330.501 3.901 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177634685 1035287657 /nfs/dbraw/zinc/28/76/57/1035287657.db2.gz VRJKUSAESQSEKP-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177634685 1035287659 /nfs/dbraw/zinc/28/76/59/1035287659.db2.gz VRJKUSAESQSEKP-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612997454 1035344440 /nfs/dbraw/zinc/34/44/40/1035344440.db2.gz YOYBEEFYMPAJHW-RCBQFDQVSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612997454 1035344448 /nfs/dbraw/zinc/34/44/48/1035344448.db2.gz YOYBEEFYMPAJHW-RCBQFDQVSA-N 1 2 338.854 3.777 20 0 EHADLO CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161652095 1035354865 /nfs/dbraw/zinc/35/48/65/1035354865.db2.gz MILUZQZSFLGSRT-GOSISDBHSA-N 1 2 339.483 3.611 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636240000 1035382373 /nfs/dbraw/zinc/38/23/73/1035382373.db2.gz SVDLYMXGGDFSFL-RKDXNWHRSA-N 1 2 345.708 3.704 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636240000 1035382375 /nfs/dbraw/zinc/38/23/75/1035382375.db2.gz SVDLYMXGGDFSFL-RKDXNWHRSA-N 1 2 345.708 3.704 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376181110 1035385730 /nfs/dbraw/zinc/38/57/30/1035385730.db2.gz KKONKRRECHUNNY-UXHICEINSA-N 1 2 345.446 3.546 20 0 EHADLO CCCCn1ncc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C ZINC000448359395 1035402139 /nfs/dbraw/zinc/40/21/39/1035402139.db2.gz LYLBLJZKGZONQR-UHFFFAOYSA-N 1 2 326.404 3.592 20 0 EHADLO COCC[N@H+](Cc1ncc(C(F)(F)F)s1)[C@@H]1CCCSC1 ZINC000448367340 1035408136 /nfs/dbraw/zinc/40/81/36/1035408136.db2.gz QNJPQVRMQHMYSN-SNVBAGLBSA-N 1 2 340.436 3.506 20 0 EHADLO COCC[N@@H+](Cc1ncc(C(F)(F)F)s1)[C@@H]1CCCSC1 ZINC000448367340 1035408137 /nfs/dbraw/zinc/40/81/37/1035408137.db2.gz QNJPQVRMQHMYSN-SNVBAGLBSA-N 1 2 340.436 3.506 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000613137386 1035417495 /nfs/dbraw/zinc/41/74/95/1035417495.db2.gz AOIYPBGUNZZQJT-JCGIZDLHSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000613137386 1035417499 /nfs/dbraw/zinc/41/74/99/1035417499.db2.gz AOIYPBGUNZZQJT-JCGIZDLHSA-N 1 2 348.437 3.797 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000892531321 1035441215 /nfs/dbraw/zinc/44/12/15/1035441215.db2.gz PRKWGFJWCKGXIJ-LLVKDONJSA-N 1 2 338.377 3.932 20 0 EHADLO Nc1nc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)[nH+]c2ccccc12 ZINC000549008135 1035467462 /nfs/dbraw/zinc/46/74/62/1035467462.db2.gz FJPCACJNZNHSRH-CYBMUJFWSA-N 1 2 336.361 3.601 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000066448220 1035470964 /nfs/dbraw/zinc/47/09/64/1035470964.db2.gz ORKDXLKDGBQDRT-CQSZACIVSA-N 1 2 334.514 3.843 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000066448220 1035470967 /nfs/dbraw/zinc/47/09/67/1035470967.db2.gz ORKDXLKDGBQDRT-CQSZACIVSA-N 1 2 334.514 3.843 20 0 EHADLO CC1CCC([N@H+](Cn2nc(N(C)C)sc2=S)C2CC2)CC1 ZINC000066447938 1035471075 /nfs/dbraw/zinc/47/10/75/1035471075.db2.gz XBQZJZOKDICNAW-UHFFFAOYSA-N 1 2 326.535 3.741 20 0 EHADLO CC1CCC([N@@H+](Cn2nc(N(C)C)sc2=S)C2CC2)CC1 ZINC000066447938 1035471078 /nfs/dbraw/zinc/47/10/78/1035471078.db2.gz XBQZJZOKDICNAW-UHFFFAOYSA-N 1 2 326.535 3.741 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492231032 1035503711 /nfs/dbraw/zinc/50/37/11/1035503711.db2.gz GUOYMHHANNFPKB-SXSDINLZSA-N 1 2 341.455 3.622 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463431365 1035504398 /nfs/dbraw/zinc/50/43/98/1035504398.db2.gz ZKTJZPIZRQKQSH-MRXNPFEDSA-N 1 2 344.499 3.570 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463431365 1035504409 /nfs/dbraw/zinc/50/44/09/1035504409.db2.gz ZKTJZPIZRQKQSH-MRXNPFEDSA-N 1 2 344.499 3.570 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1csc(-c2ccccc2)n1 ZINC000414114414 1035580367 /nfs/dbraw/zinc/58/03/67/1035580367.db2.gz ZHFKHKUWAHLSDE-CYBMUJFWSA-N 1 2 339.468 3.517 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)C2 ZINC000456986863 1035603865 /nfs/dbraw/zinc/60/38/65/1035603865.db2.gz PIWWKYISSONMJA-UTBLSDIXSA-N 1 2 341.499 3.533 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)CC2 ZINC000456986863 1035603874 /nfs/dbraw/zinc/60/38/74/1035603874.db2.gz PIWWKYISSONMJA-UTBLSDIXSA-N 1 2 341.499 3.533 20 0 EHADLO Cc1cccc(Oc2cc(C[NH2+][C@H]3CCn4ccnc43)ccn2)c1C ZINC000571733901 1035631989 /nfs/dbraw/zinc/63/19/89/1035631989.db2.gz HDPJKAZTBHMFLA-KRWDZBQOSA-N 1 2 334.423 3.922 20 0 EHADLO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000571750141 1035640385 /nfs/dbraw/zinc/64/03/85/1035640385.db2.gz HGXWUFQQNJHZHP-FZKQIMNGSA-N 1 2 342.393 3.783 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000666163805 1035695435 /nfs/dbraw/zinc/69/54/35/1035695435.db2.gz SJHAZUJEWVPCOH-YJBOKZPZSA-N 1 2 344.434 3.766 20 0 EHADLO COCCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000761440951 1035702487 /nfs/dbraw/zinc/70/24/87/1035702487.db2.gz FXBRMTLFCUAUQG-UHFFFAOYSA-N 1 2 328.412 3.512 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000613387903 1035716499 /nfs/dbraw/zinc/71/64/99/1035716499.db2.gz RWWMOVMDYRQUDK-AWEZNQCLSA-N 1 2 326.425 3.703 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000613387903 1035716517 /nfs/dbraw/zinc/71/65/17/1035716517.db2.gz RWWMOVMDYRQUDK-AWEZNQCLSA-N 1 2 326.425 3.703 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)s1 ZINC000414138306 1035726429 /nfs/dbraw/zinc/72/64/29/1035726429.db2.gz KEOBQUIBUPWOPB-SNVBAGLBSA-N 1 2 340.395 3.892 20 0 EHADLO Clc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000540833309 1035733802 /nfs/dbraw/zinc/73/38/02/1035733802.db2.gz PONHFHSYEYLYDP-XKQJLSEDSA-N 1 2 329.831 3.895 20 0 EHADLO CCO[C@@H](C)c1nc(C[S@](=O)Cc2ccc(C)[nH+]c2C)cs1 ZINC000187159700 1035777345 /nfs/dbraw/zinc/77/73/45/1035777345.db2.gz RXQMLVKECUIIGZ-WHEQGISXSA-N 1 2 338.498 3.701 20 0 EHADLO C[C@@H](C[N@H+](Cc1ccco1)Cc1cccnc1)NC(=O)OC(C)(C)C ZINC000492434045 1035792522 /nfs/dbraw/zinc/79/25/22/1035792522.db2.gz JKWZJGOJPJHWJG-HNNXBMFYSA-N 1 2 345.443 3.590 20 0 EHADLO C[C@@H](C[N@@H+](Cc1ccco1)Cc1cccnc1)NC(=O)OC(C)(C)C ZINC000492434045 1035792538 /nfs/dbraw/zinc/79/25/38/1035792538.db2.gz JKWZJGOJPJHWJG-HNNXBMFYSA-N 1 2 345.443 3.590 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)nc21 ZINC000376279239 1035819347 /nfs/dbraw/zinc/81/93/47/1035819347.db2.gz QQSZJWZKGMKNDC-JTQLQIEISA-N 1 2 346.843 3.656 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)nnn1-c1ccc(F)cc1 ZINC000414165399 1035845797 /nfs/dbraw/zinc/84/57/97/1035845797.db2.gz LVTHKSIABKCIHJ-AWEZNQCLSA-N 1 2 339.418 3.577 20 0 EHADLO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000540986633 1035881286 /nfs/dbraw/zinc/88/12/86/1035881286.db2.gz XATSBAHKYDRBII-QRWLVFNGSA-N 1 2 348.450 3.819 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Sc2ccccc2)cc1 ZINC000540996177 1035895285 /nfs/dbraw/zinc/89/52/85/1035895285.db2.gz YUXHNSGPXKAIKE-UHFFFAOYSA-N 1 2 338.480 3.988 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Sc2ccccc2)cc1 ZINC000540996177 1035895311 /nfs/dbraw/zinc/89/53/11/1035895311.db2.gz YUXHNSGPXKAIKE-UHFFFAOYSA-N 1 2 338.480 3.988 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000669273405 1035901989 /nfs/dbraw/zinc/90/19/89/1035901989.db2.gz ZFVFKZSYRVAPQC-ZHALLVOQSA-N 1 2 325.456 3.817 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C2CC2)o1 ZINC000613443778 1035911761 /nfs/dbraw/zinc/91/17/61/1035911761.db2.gz YREREGZZEZYAIO-VQIMIIECSA-N 1 2 330.472 3.734 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C2CC2)o1 ZINC000613443778 1035911777 /nfs/dbraw/zinc/91/17/77/1035911777.db2.gz YREREGZZEZYAIO-VQIMIIECSA-N 1 2 330.472 3.734 20 0 EHADLO Cc1cc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c[nH+]1 ZINC000535036677 1035914252 /nfs/dbraw/zinc/91/42/52/1035914252.db2.gz ZRJYHUFGZGBXFH-UHFFFAOYSA-N 1 2 345.196 3.881 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)cc(Br)c2)c(C)c[nH+]1 ZINC000535036497 1035916700 /nfs/dbraw/zinc/91/67/00/1035916700.db2.gz RNYRNHAKOPIDDA-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO CCc1nc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)sc1C ZINC000174339952 1035933517 /nfs/dbraw/zinc/93/35/17/1035933517.db2.gz PLNUOBSHXCGTKB-UHFFFAOYSA-N 1 2 348.472 3.698 20 0 EHADLO CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C)[nH+]cc3C)o2)cc1 ZINC000535035388 1035942583 /nfs/dbraw/zinc/94/25/83/1035942583.db2.gz ZWSOOBCBZCHUSY-UHFFFAOYSA-N 1 2 334.375 3.835 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1F ZINC000613464338 1035963334 /nfs/dbraw/zinc/96/33/34/1035963334.db2.gz PXGDQPGEMUWPLF-AWEZNQCLSA-N 1 2 332.394 3.582 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1F ZINC000613464338 1035963348 /nfs/dbraw/zinc/96/33/48/1035963348.db2.gz PXGDQPGEMUWPLF-AWEZNQCLSA-N 1 2 332.394 3.582 20 0 EHADLO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000188635583 1035966804 /nfs/dbraw/zinc/96/68/04/1035966804.db2.gz IUIALIRQSZNGNO-UHFFFAOYSA-N 1 2 342.374 3.759 20 0 EHADLO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000463966100 1036012248 /nfs/dbraw/zinc/01/22/48/1036012248.db2.gz SJCOITDJXKJKDB-QGZVFWFLSA-N 1 2 348.450 3.953 20 0 EHADLO Cc1cc(/C=C\C(=O)NCCCCn2cc[nH+]c2)ccc1OC(C)C ZINC000492598165 1036053405 /nfs/dbraw/zinc/05/34/05/1036053405.db2.gz UVCCRYWDSXMWPS-CLFYSBASSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@H]1CC[C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000457407008 1036071608 /nfs/dbraw/zinc/07/16/08/1036071608.db2.gz DKAZENCBMFAKBB-YWZLYKJASA-N 1 2 329.488 3.760 20 0 EHADLO CC1(C)[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C[C@H]1c1ccccc1 ZINC000464066131 1036082681 /nfs/dbraw/zinc/08/26/81/1036082681.db2.gz QIXDUISITVLZED-RBUKOAKNSA-N 1 2 337.467 3.912 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535131116 1036085584 /nfs/dbraw/zinc/08/55/84/1036085584.db2.gz WRRUTVKIGSOYMX-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535131116 1036085603 /nfs/dbraw/zinc/08/56/03/1036085603.db2.gz WRRUTVKIGSOYMX-ZWKOTPCHSA-N 1 2 346.833 3.963 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCOCC1CC1 ZINC000428778785 1036110669 /nfs/dbraw/zinc/11/06/69/1036110669.db2.gz BALJUBYHVLVAQU-CXAGYDPISA-N 1 2 343.389 3.894 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCOCC1CC1 ZINC000428778785 1036110681 /nfs/dbraw/zinc/11/06/81/1036110681.db2.gz BALJUBYHVLVAQU-CXAGYDPISA-N 1 2 343.389 3.894 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(N(C)CC(C)C)cc3)ccc2[nH+]1 ZINC000588859633 1036145311 /nfs/dbraw/zinc/14/53/11/1036145311.db2.gz FVLNHBJGSGPBPW-UHFFFAOYSA-N 1 2 336.439 3.987 20 0 EHADLO Cc1csc2c1ncnc2NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000189974128 1036169995 /nfs/dbraw/zinc/16/99/95/1036169995.db2.gz PRWOXTRPZJZZKQ-UHFFFAOYSA-N 1 2 335.436 3.857 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(F)ccc1F ZINC000414238375 1036225128 /nfs/dbraw/zinc/22/51/28/1036225128.db2.gz MCLBXPFBQUMZTG-MRXNPFEDSA-N 1 2 339.407 3.609 20 0 EHADLO c1cc(C[NH+]2CCN(c3nc(-c4ccccc4)ns3)CC2)cs1 ZINC000535258503 1036245196 /nfs/dbraw/zinc/24/51/96/1036245196.db2.gz RGRDGVQVEXUERN-UHFFFAOYSA-N 1 2 342.493 3.589 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190715167 1036262334 /nfs/dbraw/zinc/26/23/34/1036262334.db2.gz UCGNIUYEKPOFCV-UHFFFAOYSA-N 1 2 329.350 3.764 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627297 1036267574 /nfs/dbraw/zinc/26/75/74/1036267574.db2.gz IYJKAIWBKJFNDE-MAZHCROVSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627297 1036267586 /nfs/dbraw/zinc/26/75/86/1036267586.db2.gz IYJKAIWBKJFNDE-MAZHCROVSA-N 1 2 329.362 3.646 20 0 EHADLO COCCn1c2ccccc2nc1SCc1cc(OC)cc(C)[nH+]1 ZINC000535254278 1036270360 /nfs/dbraw/zinc/27/03/60/1036270360.db2.gz CPSASIVBAPURAD-UHFFFAOYSA-N 1 2 343.452 3.687 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000191419098 1036379773 /nfs/dbraw/zinc/37/97/73/1036379773.db2.gz TYIJRPNQMCYIGM-YOEHRIQHSA-N 1 2 331.485 3.561 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000191419098 1036379794 /nfs/dbraw/zinc/37/97/94/1036379794.db2.gz TYIJRPNQMCYIGM-YOEHRIQHSA-N 1 2 331.485 3.561 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191752319 1036426823 /nfs/dbraw/zinc/42/68/23/1036426823.db2.gz LPFZUPJUPDJMIB-SFHVURJKSA-N 1 2 332.517 3.558 20 0 EHADLO CC(C)CCn1cccc1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191752319 1036426833 /nfs/dbraw/zinc/42/68/33/1036426833.db2.gz LPFZUPJUPDJMIB-SFHVURJKSA-N 1 2 332.517 3.558 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccc(F)cc4)C[C@H]3C)ccn12 ZINC000572660647 1036450301 /nfs/dbraw/zinc/45/03/01/1036450301.db2.gz NYAQCENWQQCTAU-CXAGYDPISA-N 1 2 337.398 3.800 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000457758209 1036458624 /nfs/dbraw/zinc/45/86/24/1036458624.db2.gz QFVVWTXXPVOPED-KRWDZBQOSA-N 1 2 346.450 3.578 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000457766763 1036470272 /nfs/dbraw/zinc/47/02/72/1036470272.db2.gz OCEWZZMDPCNFJX-ZDUSSCGKSA-N 1 2 339.430 3.607 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1OCCC ZINC000192147670 1036478349 /nfs/dbraw/zinc/47/83/49/1036478349.db2.gz BIJYADSPUVHHFW-HNNXBMFYSA-N 1 2 329.444 3.905 20 0 EHADLO Cc1cc(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000464488760 1036496623 /nfs/dbraw/zinc/49/66/23/1036496623.db2.gz UBVVOTZBHBARKW-UHFFFAOYSA-N 1 2 346.862 3.503 20 0 EHADLO Cc1cc(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000464488760 1036496636 /nfs/dbraw/zinc/49/66/36/1036496636.db2.gz UBVVOTZBHBARKW-UHFFFAOYSA-N 1 2 346.862 3.503 20 0 EHADLO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccsc2C(=O)OC)c1 ZINC000892601039 1036500904 /nfs/dbraw/zinc/50/09/04/1036500904.db2.gz XNCKTXSFCALRKB-UHFFFAOYSA-N 1 2 346.452 3.563 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1cccc(F)c1 ZINC001168392278 1036516412 /nfs/dbraw/zinc/51/64/12/1036516412.db2.gz GDYYKTSGSIOCTO-INIZCTEOSA-N 1 2 328.412 3.772 20 0 EHADLO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CCn1cc[nH+]c1 ZINC000589582966 1036520038 /nfs/dbraw/zinc/52/00/38/1036520038.db2.gz PUBJHIPKVPNYFK-LJQANCHMSA-N 1 2 327.472 3.923 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000493012026 1036520350 /nfs/dbraw/zinc/52/03/50/1036520350.db2.gz CTCZJYPIRGSMHN-BUSNORKWSA-N 1 2 333.435 3.677 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000493012014 1036520881 /nfs/dbraw/zinc/52/08/81/1036520881.db2.gz CRFZFQRGXFAPRC-LRAPTIAOSA-N 1 2 349.406 3.700 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000541661025 1036547459 /nfs/dbraw/zinc/54/74/59/1036547459.db2.gz XQLDVDBCDPBETO-HNNXBMFYSA-N 1 2 347.422 3.627 20 0 EHADLO Cc1cc(C(=O)CSc2nc(N)cc(C)[nH+]2)c(C)n1CCC(C)C ZINC000302169511 1036552963 /nfs/dbraw/zinc/55/29/63/1036552963.db2.gz HMGGNTSZXRDDDY-UHFFFAOYSA-N 1 2 346.500 3.807 20 0 EHADLO CC(C)n1ccnc1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000170958121 1036576650 /nfs/dbraw/zinc/57/66/50/1036576650.db2.gz OEWLYMLSEVMVOJ-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168177141 1036614528 /nfs/dbraw/zinc/61/45/28/1036614528.db2.gz MGEYVAFGPCTPAT-KGLIPLIRSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168177141 1036614538 /nfs/dbraw/zinc/61/45/38/1036614538.db2.gz MGEYVAFGPCTPAT-KGLIPLIRSA-N 1 2 333.863 3.691 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186094159 1036618005 /nfs/dbraw/zinc/61/80/05/1036618005.db2.gz LCXXACYXQKYZFB-LJQANCHMSA-N 1 2 347.462 3.772 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186094159 1036618017 /nfs/dbraw/zinc/61/80/17/1036618017.db2.gz LCXXACYXQKYZFB-LJQANCHMSA-N 1 2 347.462 3.772 20 0 EHADLO CC(C)(CCc1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000589760498 1036624503 /nfs/dbraw/zinc/62/45/03/1036624503.db2.gz VFHVXSXSOVWHTM-UHFFFAOYSA-N 1 2 340.471 3.594 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000493068830 1036632911 /nfs/dbraw/zinc/63/29/11/1036632911.db2.gz FBLOUVJTSCVVAZ-BQYQJAHWSA-N 1 2 331.366 3.673 20 0 EHADLO c1cn2cc(C[N@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc2s1 ZINC000175950632 1036640961 /nfs/dbraw/zinc/64/09/61/1036640961.db2.gz YNDSFMMOGLQGLJ-GOSISDBHSA-N 1 2 341.480 3.620 20 0 EHADLO c1cn2cc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc2s1 ZINC000175950632 1036640968 /nfs/dbraw/zinc/64/09/68/1036640968.db2.gz YNDSFMMOGLQGLJ-GOSISDBHSA-N 1 2 341.480 3.620 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175957557 1036646111 /nfs/dbraw/zinc/64/61/11/1036646111.db2.gz KRBMGQZOXNOYIM-YJBOKZPZSA-N 1 2 341.455 3.732 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175957557 1036646120 /nfs/dbraw/zinc/64/61/20/1036646120.db2.gz KRBMGQZOXNOYIM-YJBOKZPZSA-N 1 2 341.455 3.732 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000535567567 1036657422 /nfs/dbraw/zinc/65/74/22/1036657422.db2.gz SEQUGHGBUDUZNK-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000535567567 1036657438 /nfs/dbraw/zinc/65/74/38/1036657438.db2.gz SEQUGHGBUDUZNK-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)ns1 ZINC000535576616 1036692650 /nfs/dbraw/zinc/69/26/50/1036692650.db2.gz PZHUCXBIIDAKGI-INIZCTEOSA-N 1 2 330.501 3.591 20 0 EHADLO CN(C)c1nc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)ns1 ZINC000535576616 1036692658 /nfs/dbraw/zinc/69/26/58/1036692658.db2.gz PZHUCXBIIDAKGI-INIZCTEOSA-N 1 2 330.501 3.591 20 0 EHADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000414341404 1036787041 /nfs/dbraw/zinc/78/70/41/1036787041.db2.gz LKBSQJITYUAFQF-NWDGAFQWSA-N 1 2 335.448 3.513 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1F ZINC000539492943 1036817388 /nfs/dbraw/zinc/81/73/88/1036817388.db2.gz DNYNGBKWIDKENS-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000060626704 1036889149 /nfs/dbraw/zinc/88/91/49/1036889149.db2.gz UYYSXEOZRNAQHG-UHFFFAOYSA-N 1 2 333.435 3.639 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2ncccn2)c2cc(Br)ccc21 ZINC000572976711 1036914770 /nfs/dbraw/zinc/91/47/70/1036914770.db2.gz XTLLELDODKIWJF-CQSZACIVSA-N 1 2 332.245 3.751 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC2(CCCCC2)C1 ZINC000177765856 1036928974 /nfs/dbraw/zinc/92/89/74/1036928974.db2.gz QYSCNBNXWXWXBT-UHFFFAOYSA-N 1 2 326.444 3.590 20 0 EHADLO C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000636429339 1036940424 /nfs/dbraw/zinc/94/04/24/1036940424.db2.gz DVXMDLSGSDGECP-INIZCTEOSA-N 1 2 327.472 3.615 20 0 EHADLO CN(C(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1)c1ccccc1 ZINC000464878333 1036948194 /nfs/dbraw/zinc/94/81/94/1036948194.db2.gz TXYURDPFMDFSSA-UHFFFAOYSA-N 1 2 338.426 3.968 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ncc(-c2ccccc2F)s1 ZINC000669997405 1037002516 /nfs/dbraw/zinc/00/25/16/1037002516.db2.gz DHFZYGRYUWTXAV-UHFFFAOYSA-N 1 2 330.388 3.565 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725675 1037009230 /nfs/dbraw/zinc/00/92/30/1037009230.db2.gz RKPHZKPNVWSMFT-WMZOPIPTSA-N 1 2 343.496 3.864 20 0 EHADLO Cc1nc(C(C)C)oc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350528069 1037026359 /nfs/dbraw/zinc/02/63/59/1037026359.db2.gz WUHIJYFEDSHJQP-UHFFFAOYSA-N 1 2 337.383 3.703 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178371751 1037030715 /nfs/dbraw/zinc/03/07/15/1037030715.db2.gz JDNJMBHKIVSYLN-UHFFFAOYSA-N 1 2 343.814 3.705 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590734128 1037034016 /nfs/dbraw/zinc/03/40/16/1037034016.db2.gz TUGZZBMVTGKOML-MRXNPFEDSA-N 1 2 329.469 3.537 20 0 EHADLO Cc1cc2occ(CC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000590733996 1037034111 /nfs/dbraw/zinc/03/41/11/1037034111.db2.gz KVBLOPBURMTWCX-QGZVFWFLSA-N 1 2 337.423 3.652 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590732659 1037035380 /nfs/dbraw/zinc/03/53/80/1037035380.db2.gz SVMLDTZAEKXDPH-HNNXBMFYSA-N 1 2 347.846 3.558 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733385 1037035548 /nfs/dbraw/zinc/03/55/48/1037035548.db2.gz USAZIHXZNOTSLA-IAGOWNOFSA-N 1 2 341.455 3.639 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590734246 1037036074 /nfs/dbraw/zinc/03/60/74/1037036074.db2.gz VBSFIGPKVFAEBT-HNNXBMFYSA-N 1 2 348.450 3.721 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000178501850 1037052416 /nfs/dbraw/zinc/05/24/16/1037052416.db2.gz NTQKNEHUIWJALV-QGZVFWFLSA-N 1 2 342.487 3.552 20 0 EHADLO C=Cc1ccc(CCNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000462575016 1037144608 /nfs/dbraw/zinc/14/46/08/1037144608.db2.gz OSVSITYGIKCARI-KRWDZBQOSA-N 1 2 337.467 3.640 20 0 EHADLO C=Cc1ccc(CCNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000462575016 1037144622 /nfs/dbraw/zinc/14/46/22/1037144622.db2.gz OSVSITYGIKCARI-KRWDZBQOSA-N 1 2 337.467 3.640 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)o1 ZINC000591091276 1037216721 /nfs/dbraw/zinc/21/67/21/1037216721.db2.gz VKWSOXAKTNIGRZ-WBVHZDCISA-N 1 2 341.455 3.739 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539805091 1037219586 /nfs/dbraw/zinc/21/95/86/1037219586.db2.gz HMQAKORKGQDMPK-LJQANCHMSA-N 1 2 332.407 3.553 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000591140666 1037232906 /nfs/dbraw/zinc/23/29/06/1037232906.db2.gz NGVYZZFXZSCPKD-KRWDZBQOSA-N 1 2 336.439 3.551 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCO1 ZINC000539836858 1037265443 /nfs/dbraw/zinc/26/54/43/1037265443.db2.gz KGAOGEMFNFZBPF-LJQANCHMSA-N 1 2 349.377 3.604 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCO1 ZINC000539836858 1037265461 /nfs/dbraw/zinc/26/54/61/1037265461.db2.gz KGAOGEMFNFZBPF-LJQANCHMSA-N 1 2 349.377 3.604 20 0 EHADLO CCCn1cc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000539836080 1037266682 /nfs/dbraw/zinc/26/66/82/1037266682.db2.gz QIUVOAJMOHTNQZ-INIZCTEOSA-N 1 2 346.906 3.825 20 0 EHADLO C[C@H](c1cccc(NC(=O)CCC2CCCC2)c1)[NH+]1CCOCC1 ZINC000591249231 1037269971 /nfs/dbraw/zinc/26/99/71/1037269971.db2.gz HMUCTKYQRYPTEG-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C4CCC4)C3)cn2c1 ZINC000591238140 1037283576 /nfs/dbraw/zinc/28/35/76/1037283576.db2.gz WCIGLMLOQDYWDN-MRXNPFEDSA-N 1 2 343.496 3.525 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(F)c1Cl ZINC000376507643 1037332534 /nfs/dbraw/zinc/33/25/34/1037332534.db2.gz XAHVLYAKSGNCDT-LBPRGKRZSA-N 1 2 335.810 3.541 20 0 EHADLO CC(C)c1ccc(OC2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)cc1 ZINC000493482515 1037401909 /nfs/dbraw/zinc/40/19/09/1037401909.db2.gz ALUPHQJZFQCUBS-BQYQJAHWSA-N 1 2 339.439 3.616 20 0 EHADLO Cc1cnc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)s1 ZINC000301587539 1037403366 /nfs/dbraw/zinc/40/33/66/1037403366.db2.gz WPJOVVXKWQRGGK-LBPRGKRZSA-N 1 2 336.424 3.754 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCCC2CCCC2)c1)[NH+]1CCOCC1 ZINC000591524320 1037474919 /nfs/dbraw/zinc/47/49/19/1037474919.db2.gz VLFIQDWJLUGPMR-INIZCTEOSA-N 1 2 345.487 3.782 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000591522809 1037475087 /nfs/dbraw/zinc/47/50/87/1037475087.db2.gz YMLNVKNCPGADSX-MRXNPFEDSA-N 1 2 333.476 3.590 20 0 EHADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000493593831 1037478434 /nfs/dbraw/zinc/47/84/34/1037478434.db2.gz GQIDNSCOWKAMMV-OAGJVSPASA-N 1 2 347.422 3.567 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000491463226 1037489717 /nfs/dbraw/zinc/48/97/17/1037489717.db2.gz JGNWNWDNLUISEA-IDTUSYRASA-N 1 2 329.831 3.791 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491503029 1037511939 /nfs/dbraw/zinc/51/19/39/1037511939.db2.gz BJBABVPGHKRXCM-YFHOEESVSA-N 1 2 335.407 3.916 20 0 EHADLO Clc1cc2cccnc2c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193589611 1037516708 /nfs/dbraw/zinc/51/67/08/1037516708.db2.gz YLAIYWJIMKLJTP-AWEZNQCLSA-N 1 2 326.831 3.991 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000532485965 1037524953 /nfs/dbraw/zinc/52/49/53/1037524953.db2.gz QRAKQQBDSDUZQC-WMZOPIPTSA-N 1 2 328.456 3.828 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000532485965 1037524968 /nfs/dbraw/zinc/52/49/68/1037524968.db2.gz QRAKQQBDSDUZQC-WMZOPIPTSA-N 1 2 328.456 3.828 20 0 EHADLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)C[C@@H]3c3ccccc3F)[nH]c2n1 ZINC000760859029 1037544442 /nfs/dbraw/zinc/54/44/42/1037544442.db2.gz KFCTZIDFANLXSD-BLLLJJGKSA-N 1 2 340.402 3.689 20 0 EHADLO COc1ccc2nc(C[N@H+]3C[C@@H](C)C[C@@H]3c3ccccc3F)[nH]c2n1 ZINC000760859029 1037544458 /nfs/dbraw/zinc/54/44/58/1037544458.db2.gz KFCTZIDFANLXSD-BLLLJJGKSA-N 1 2 340.402 3.689 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864022 1037575150 /nfs/dbraw/zinc/57/51/50/1037575150.db2.gz DOVXAGCVEMQHPP-SNAWJCMRSA-N 1 2 349.356 3.779 20 0 EHADLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507851 1037592983 /nfs/dbraw/zinc/59/29/83/1037592983.db2.gz RJIFUQKTVQRXPQ-DTWKUNHWSA-N 1 2 338.698 3.757 20 0 EHADLO COc1cccc([C@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507590 1037592796 /nfs/dbraw/zinc/59/27/96/1037592796.db2.gz LYBSAPGNSFUSBE-RTBURBONSA-N 1 2 331.456 3.560 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507590 1037592810 /nfs/dbraw/zinc/59/28/10/1037592810.db2.gz LYBSAPGNSFUSBE-RTBURBONSA-N 1 2 331.456 3.560 20 0 EHADLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507851 1037592974 /nfs/dbraw/zinc/59/29/74/1037592974.db2.gz RJIFUQKTVQRXPQ-DTWKUNHWSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914307605 1037611092 /nfs/dbraw/zinc/61/10/92/1037611092.db2.gz FSXIBNKLOGHPTO-MJGOQNOKSA-N 1 2 340.471 3.641 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H](C)S1 ZINC000532571447 1037669208 /nfs/dbraw/zinc/66/92/08/1037669208.db2.gz KEQSMJDVNVKWEH-BETUJISGSA-N 1 2 347.509 3.574 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H](C)S1 ZINC000532571447 1037669211 /nfs/dbraw/zinc/66/92/11/1037669211.db2.gz KEQSMJDVNVKWEH-BETUJISGSA-N 1 2 347.509 3.574 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c(C)c[nH+]1 ZINC000540230898 1037716974 /nfs/dbraw/zinc/71/69/74/1037716974.db2.gz VYLMYEKDDVSEBM-UHFFFAOYSA-N 1 2 339.317 3.547 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000463058165 1037727141 /nfs/dbraw/zinc/72/71/41/1037727141.db2.gz YLHFKLIWHCZIGD-MRXNPFEDSA-N 1 2 340.492 3.903 20 0 EHADLO CN1CCC[C@@H]([NH2+]Cc2nc(-c3ccsc3)no2)c2ccccc21 ZINC000573793144 1037748458 /nfs/dbraw/zinc/74/84/58/1037748458.db2.gz ZVFUCLYVIJLFKM-OAHLLOKOSA-N 1 2 340.452 3.859 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000666640782 1037751272 /nfs/dbraw/zinc/75/12/72/1037751272.db2.gz VDZIDXDYOWKDDT-RUYXUALKSA-N 1 2 341.499 3.905 20 0 EHADLO COc1cccc2c(NCCc3nc(-c4ccccc4)n[nH]3)cc[nH+]c12 ZINC000573890551 1037794004 /nfs/dbraw/zinc/79/40/04/1037794004.db2.gz UNCMEOSDIZDAFW-UHFFFAOYSA-N 1 2 345.406 3.683 20 0 EHADLO COc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(C)c1 ZINC000151888359 1037825102 /nfs/dbraw/zinc/82/51/02/1037825102.db2.gz UFUSHSFPERYBAX-UHFFFAOYSA-N 1 2 343.423 3.513 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H](C)c2cccc(F)c2)[nH+]1 ZINC000151888048 1037826041 /nfs/dbraw/zinc/82/60/41/1037826041.db2.gz ZSMKKQIVENVUMF-MRXNPFEDSA-N 1 2 345.414 3.825 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(C)c1OC(F)F ZINC000378086655 1037848482 /nfs/dbraw/zinc/84/84/82/1037848482.db2.gz PKDSDYULTWILDZ-UHFFFAOYSA-N 1 2 349.381 3.648 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(C)c1OC(F)F ZINC000378086655 1037848510 /nfs/dbraw/zinc/84/85/10/1037848510.db2.gz PKDSDYULTWILDZ-UHFFFAOYSA-N 1 2 349.381 3.648 20 0 EHADLO CCCC[C@H](SCc1c[nH+]cn1Cc1ccccc1)C(=O)OC ZINC000475885537 1037861151 /nfs/dbraw/zinc/86/11/51/1037861151.db2.gz COGUHLJYXUTPEC-KRWDZBQOSA-N 1 2 332.469 3.896 20 0 EHADLO FC(F)(F)Cc1noc(C[NH2+]C2(c3ccccc3)CCCC2)n1 ZINC000540390195 1037882034 /nfs/dbraw/zinc/88/20/34/1037882034.db2.gz XMZLMLKFRQSIDN-UHFFFAOYSA-N 1 2 325.334 3.734 20 0 EHADLO O=C(/C=C\C1CCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000492052585 1037906650 /nfs/dbraw/zinc/90/66/50/1037906650.db2.gz VORHUAGZXBIMDS-KTKRTIGZSA-N 1 2 349.438 3.618 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccncc2Br)c(C)[nH+]1 ZINC000913807080 1037923098 /nfs/dbraw/zinc/92/30/98/1037923098.db2.gz RTPXMVVLAUVPQS-NSHDSACASA-N 1 2 348.244 3.655 20 0 EHADLO O=C(C=Cc1ccc(F)c(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492059408 1037924262 /nfs/dbraw/zinc/92/42/62/1037924262.db2.gz SWBBKUKDDFRWBH-RQOWECAXSA-N 1 2 333.794 3.622 20 0 EHADLO O=C(C=Cc1ccc(F)c(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492059408 1037924276 /nfs/dbraw/zinc/92/42/76/1037924276.db2.gz SWBBKUKDDFRWBH-RQOWECAXSA-N 1 2 333.794 3.622 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000592333154 1037926891 /nfs/dbraw/zinc/92/68/91/1037926891.db2.gz XSXQTBKEXCEJSO-QGZVFWFLSA-N 1 2 344.480 3.600 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000592333154 1037926909 /nfs/dbraw/zinc/92/69/09/1037926909.db2.gz XSXQTBKEXCEJSO-QGZVFWFLSA-N 1 2 344.480 3.600 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000183068110 1037929649 /nfs/dbraw/zinc/92/96/49/1037929649.db2.gz QRDVYLBOZJLEHA-LBPRGKRZSA-N 1 2 327.494 3.612 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000183068110 1037929661 /nfs/dbraw/zinc/92/96/61/1037929661.db2.gz QRDVYLBOZJLEHA-LBPRGKRZSA-N 1 2 327.494 3.612 20 0 EHADLO c1nn(Cc2ccccc2)cc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000121782452 1037971703 /nfs/dbraw/zinc/97/17/03/1037971703.db2.gz CSMSUZVYGRDDKP-UHFFFAOYSA-N 1 2 333.439 3.539 20 0 EHADLO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000540478115 1037986029 /nfs/dbraw/zinc/98/60/29/1037986029.db2.gz NXEPSOIDRXZBLJ-CQSZACIVSA-N 1 2 348.849 3.797 20 0 EHADLO CC[C@@H]1CC[N@@H+]1Cc1cc(Br)cc(Br)c1N ZINC000379452221 1038003170 /nfs/dbraw/zinc/00/31/70/1038003170.db2.gz LAXJNUUYMMJNKR-SNVBAGLBSA-N 1 2 348.082 3.778 20 0 EHADLO CC[C@@H]1CC[N@H+]1Cc1cc(Br)cc(Br)c1N ZINC000379452221 1038003182 /nfs/dbraw/zinc/00/31/82/1038003182.db2.gz LAXJNUUYMMJNKR-SNVBAGLBSA-N 1 2 348.082 3.778 20 0 EHADLO CSCc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000123907620 1038101804 /nfs/dbraw/zinc/10/18/04/1038101804.db2.gz VVPNTUIUDHPIJE-GUYCJALGSA-N 1 2 347.459 3.609 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459236061 1038200558 /nfs/dbraw/zinc/20/05/58/1038200558.db2.gz MAALAYFZZINIQY-QZTJIDSGSA-N 1 2 332.492 3.520 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125252640 1038298607 /nfs/dbraw/zinc/29/86/07/1038298607.db2.gz SBZXHBMWHGOTAK-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3CCC(C)CC3)cn2c1 ZINC000043507634 1038332900 /nfs/dbraw/zinc/33/29/00/1038332900.db2.gz DYMZFSLSRYYRCN-UHFFFAOYSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)nn1-c1cccc(Cl)c1 ZINC000538542730 1038357147 /nfs/dbraw/zinc/35/71/47/1038357147.db2.gz GKPZPUMQNNZGTN-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668888419 1038359788 /nfs/dbraw/zinc/35/97/88/1038359788.db2.gz WVGVPCGLPACUDO-VXGBXAGGSA-N 1 2 333.819 3.603 20 0 EHADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000398060342 1038409260 /nfs/dbraw/zinc/40/92/60/1038409260.db2.gz MMJZIPMBRCSCBV-NOZJJQNGSA-N 1 2 340.197 3.511 20 0 EHADLO CCOCC[N@H+](CC)Cc1csc(COc2ccc(C)cc2)n1 ZINC000107677936 1038411441 /nfs/dbraw/zinc/41/14/41/1038411441.db2.gz CIQNIKCKIUIAIE-UHFFFAOYSA-N 1 2 334.485 3.889 20 0 EHADLO CCOCC[N@@H+](CC)Cc1csc(COc2ccc(C)cc2)n1 ZINC000107677936 1038411447 /nfs/dbraw/zinc/41/14/47/1038411447.db2.gz CIQNIKCKIUIAIE-UHFFFAOYSA-N 1 2 334.485 3.889 20 0 EHADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)COc1ccc(Cl)cc1Cl ZINC000398084318 1038415534 /nfs/dbraw/zinc/41/55/34/1038415534.db2.gz SVUXYLNHFKVNIW-GWCFXTLKSA-N 1 2 340.197 3.511 20 0 EHADLO CCc1cccnc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378338358 1038485356 /nfs/dbraw/zinc/48/53/56/1038485356.db2.gz LEQAZPSCEDNTDS-UHFFFAOYSA-N 1 2 344.418 3.812 20 0 EHADLO CCCn1cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000538736106 1038501134 /nfs/dbraw/zinc/50/11/34/1038501134.db2.gz ZLJXRHHAWPAXCJ-YLJYHZDGSA-N 1 2 327.472 3.872 20 0 EHADLO CCCn1cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000538736106 1038501135 /nfs/dbraw/zinc/50/11/35/1038501135.db2.gz ZLJXRHHAWPAXCJ-YLJYHZDGSA-N 1 2 327.472 3.872 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000538737710 1038503012 /nfs/dbraw/zinc/50/30/12/1038503012.db2.gz YIWMXEFCUVJJCY-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000538737710 1038503018 /nfs/dbraw/zinc/50/30/18/1038503018.db2.gz YIWMXEFCUVJJCY-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c1C ZINC000728747275 1038595520 /nfs/dbraw/zinc/59/55/20/1038595520.db2.gz IJJSDNIXPXEWFO-CVEARBPZSA-N 1 2 333.476 3.721 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378437082 1038615671 /nfs/dbraw/zinc/61/56/71/1038615671.db2.gz FBIZRKBLLPRFDO-QGZVFWFLSA-N 1 2 339.483 3.537 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCC2(CC2)C1 ZINC000667173505 1038621207 /nfs/dbraw/zinc/62/12/07/1038621207.db2.gz KAMOLTGHXPNZGM-OAHLLOKOSA-N 1 2 327.403 3.598 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000651382736 1038658835 /nfs/dbraw/zinc/65/88/35/1038658835.db2.gz TZABLDXIQBQILI-SFHVURJKSA-N 1 2 341.846 3.618 20 0 EHADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000378483726 1038661029 /nfs/dbraw/zinc/66/10/29/1038661029.db2.gz QTIHBLMDDRLWSI-IBGZPJMESA-N 1 2 334.423 3.721 20 0 EHADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000378483726 1038661036 /nfs/dbraw/zinc/66/10/36/1038661036.db2.gz QTIHBLMDDRLWSI-IBGZPJMESA-N 1 2 334.423 3.721 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000339175164 1038663369 /nfs/dbraw/zinc/66/33/69/1038663369.db2.gz OOMLAUWAFUZTKT-UHFFFAOYSA-N 1 2 327.472 3.518 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000378495771 1038669876 /nfs/dbraw/zinc/66/98/76/1038669876.db2.gz YFEDMDRSGFABRK-MRXNPFEDSA-N 1 2 327.428 3.702 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000378495771 1038669883 /nfs/dbraw/zinc/66/98/83/1038669883.db2.gz YFEDMDRSGFABRK-MRXNPFEDSA-N 1 2 327.428 3.702 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([S@@](C)=O)cc1 ZINC000893247882 1038693610 /nfs/dbraw/zinc/69/36/10/1038693610.db2.gz IOIRTVDTLCZKTE-GTUYJWLHSA-N 1 2 348.415 3.750 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000539322079 1038775685 /nfs/dbraw/zinc/77/56/85/1038775685.db2.gz VVNGEPMMFMAYCI-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000485227140 1038787719 /nfs/dbraw/zinc/78/77/19/1038787719.db2.gz ZOTYZQYJWKFDEW-MOPGFXCFSA-N 1 2 325.456 3.876 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3C[C@@H](CO)OC[C@@H]3C)s2)cc1 ZINC000485250501 1038828156 /nfs/dbraw/zinc/82/81/56/1038828156.db2.gz ZSKROFBYORHYGO-YOEHRIQHSA-N 1 2 346.496 3.515 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3C[C@@H](CO)OC[C@@H]3C)s2)cc1 ZINC000485250501 1038828184 /nfs/dbraw/zinc/82/81/84/1038828184.db2.gz ZSKROFBYORHYGO-YOEHRIQHSA-N 1 2 346.496 3.515 20 0 EHADLO c1cn(-c2ccccc2CNc2cnc(-c3ccccc3)cn2)c[nH+]1 ZINC000488121982 1038895702 /nfs/dbraw/zinc/89/57/02/1038895702.db2.gz GNLPWNHICVGQJQ-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(F)cc1F ZINC000488143851 1038909921 /nfs/dbraw/zinc/90/99/21/1038909921.db2.gz UVTFGETXWUDERJ-HNNXBMFYSA-N 1 2 344.356 3.698 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000488178710 1038923929 /nfs/dbraw/zinc/92/39/29/1038923929.db2.gz BBCCADRKVFQKSU-MRXNPFEDSA-N 1 2 332.398 3.585 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000488178710 1038923938 /nfs/dbraw/zinc/92/39/38/1038923938.db2.gz BBCCADRKVFQKSU-MRXNPFEDSA-N 1 2 332.398 3.585 20 0 EHADLO Fc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1Cl ZINC000432728408 1038934582 /nfs/dbraw/zinc/93/45/82/1038934582.db2.gz YKWXCPJXTCUVHP-NWDGAFQWSA-N 1 2 336.259 3.839 20 0 EHADLO Fc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1Cl ZINC000432728408 1038934605 /nfs/dbraw/zinc/93/46/05/1038934605.db2.gz YKWXCPJXTCUVHP-NWDGAFQWSA-N 1 2 336.259 3.839 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2nnc3n2CCCC3)CC1 ZINC000488216259 1038968978 /nfs/dbraw/zinc/96/89/78/1038968978.db2.gz MDBKWEOXPABTMO-UHFFFAOYSA-N 1 2 347.466 3.693 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2nnc3n2CCCC3)CC1 ZINC000488216259 1038968993 /nfs/dbraw/zinc/96/89/93/1038968993.db2.gz MDBKWEOXPABTMO-UHFFFAOYSA-N 1 2 347.466 3.693 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(C(F)(F)F)cnn1C ZINC000667590458 1039009201 /nfs/dbraw/zinc/00/92/01/1039009201.db2.gz WKVVYGCQTCFLIN-CQSZACIVSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1c(C(F)(F)F)cnn1C ZINC000667590458 1039009211 /nfs/dbraw/zinc/00/92/11/1039009211.db2.gz WKVVYGCQTCFLIN-CQSZACIVSA-N 1 2 339.361 3.785 20 0 EHADLO OCC1CCN(c2[nH+]cccc2NCc2ccc3occc3c2)CC1 ZINC000552161922 1039018179 /nfs/dbraw/zinc/01/81/79/1039018179.db2.gz GXPKBVLOKMWWPL-UHFFFAOYSA-N 1 2 337.423 3.649 20 0 EHADLO CC(C)c1cncc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000888239851 1039025710 /nfs/dbraw/zinc/02/57/10/1039025710.db2.gz VFLBWDBXSKSKQH-UHFFFAOYSA-N 1 2 334.423 3.631 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@H]2CCCNC2=O)c2ccccc2Cl)ccc1F ZINC000480018914 1039039314 /nfs/dbraw/zinc/03/93/14/1039039314.db2.gz ROPBJFHNZZPYGX-ZWKOTPCHSA-N 1 2 346.833 3.745 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000512413483 1039063032 /nfs/dbraw/zinc/06/30/32/1039063032.db2.gz XABGKYOJWAFTPA-GOSISDBHSA-N 1 2 346.519 3.764 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488310969 1039077009 /nfs/dbraw/zinc/07/70/09/1039077009.db2.gz HFQNNPAPMJPKAL-FQEVSTJZSA-N 1 2 326.440 3.517 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488310969 1039077029 /nfs/dbraw/zinc/07/70/29/1039077029.db2.gz HFQNNPAPMJPKAL-FQEVSTJZSA-N 1 2 326.440 3.517 20 0 EHADLO C[C@H]1CC(C)(C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000416834498 1039101145 /nfs/dbraw/zinc/10/11/45/1039101145.db2.gz YDWRIAOXSQGEHN-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C)OCc1ccccc1 ZINC000477993824 1039104179 /nfs/dbraw/zinc/10/41/79/1039104179.db2.gz WFFDGABSJWMSNU-OAHLLOKOSA-N 1 2 335.407 3.929 20 0 EHADLO COc1cccc(Nc2nn(C[N@@H+]3CCC[C@H]3C)c(=S)s2)c1 ZINC000173522220 1039125589 /nfs/dbraw/zinc/12/55/89/1039125589.db2.gz SKUFLBGEMBCHMX-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO COc1cccc(Nc2nn(C[N@H+]3CCC[C@H]3C)c(=S)s2)c1 ZINC000173522220 1039125601 /nfs/dbraw/zinc/12/56/01/1039125601.db2.gz SKUFLBGEMBCHMX-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000480088284 1039135138 /nfs/dbraw/zinc/13/51/38/1039135138.db2.gz SNMOZMWMROILAR-CABCVRRESA-N 1 2 336.439 3.996 20 0 EHADLO COc1ccc([C@@H](OC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859056 1039141211 /nfs/dbraw/zinc/14/12/11/1039141211.db2.gz RQWWODYGAJGAQP-HUUCEWRRSA-N 1 2 345.361 3.715 20 0 EHADLO COc1ccc([C@@H](OC(=O)[C@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859056 1039141218 /nfs/dbraw/zinc/14/12/18/1039141218.db2.gz RQWWODYGAJGAQP-HUUCEWRRSA-N 1 2 345.361 3.715 20 0 EHADLO C[C@@H]1CCC(C)(C)N1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000924034617 1039185539 /nfs/dbraw/zinc/18/55/39/1039185539.db2.gz LFDFXXHZNGVNRJ-WBVHZDCISA-N 1 2 326.444 3.597 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)[C@H]1c1cccs1 ZINC000554310354 1039212910 /nfs/dbraw/zinc/21/29/10/1039212910.db2.gz JBWFBZGHHWDEMT-RDJZCZTQSA-N 1 2 326.465 3.937 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)[C@H]1c1cccs1 ZINC000554310354 1039212917 /nfs/dbraw/zinc/21/29/17/1039212917.db2.gz JBWFBZGHHWDEMT-RDJZCZTQSA-N 1 2 326.465 3.937 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C(F)(F)F)cnn1C)CCC2 ZINC000667630153 1039227669 /nfs/dbraw/zinc/22/76/69/1039227669.db2.gz XSZCZWMVWPLONR-GFCCVEGCSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C(F)(F)F)cnn1C)CCC2 ZINC000667630153 1039227680 /nfs/dbraw/zinc/22/76/80/1039227680.db2.gz XSZCZWMVWPLONR-GFCCVEGCSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)s1 ZINC000488549761 1039263189 /nfs/dbraw/zinc/26/31/89/1039263189.db2.gz OHFMGXCPISNXSB-KRWDZBQOSA-N 1 2 348.899 3.816 20 0 EHADLO CCSc1cc(C[NH2+]Cc2csc(C(F)(F)F)n2)ccn1 ZINC000893717616 1039271806 /nfs/dbraw/zinc/27/18/06/1039271806.db2.gz VPEANVRMTQBVEZ-UHFFFAOYSA-N 1 2 333.404 3.959 20 0 EHADLO CCSCCCc1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000906114009 1039312357 /nfs/dbraw/zinc/31/23/57/1039312357.db2.gz YXJFVJJTXFDYAJ-UHFFFAOYSA-N 1 2 328.441 3.532 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)o1 ZINC000584587265 1039315571 /nfs/dbraw/zinc/31/55/71/1039315571.db2.gz YVZCTJIXIWIHOD-UHFFFAOYSA-N 1 2 346.500 3.908 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)cn1 ZINC000667641374 1039318556 /nfs/dbraw/zinc/31/85/56/1039318556.db2.gz QTKBAMQLYBQHGN-UHFFFAOYSA-N 1 2 340.402 3.861 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)cn1 ZINC000667641374 1039318567 /nfs/dbraw/zinc/31/85/67/1039318567.db2.gz QTKBAMQLYBQHGN-UHFFFAOYSA-N 1 2 340.402 3.861 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccnc(C)n2)c2ccc(F)cc2)cc1 ZINC000339209705 1039336088 /nfs/dbraw/zinc/33/60/88/1039336088.db2.gz RQUDJTPTZCXRAS-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cn1 ZINC000552536281 1039345475 /nfs/dbraw/zinc/34/54/75/1039345475.db2.gz YJUIZNIKVGTAOP-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000554513094 1039421442 /nfs/dbraw/zinc/42/14/42/1039421442.db2.gz CNYNYUGWWDLYTJ-HKUYNNGSSA-N 1 2 340.471 3.846 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000668881299 1039438440 /nfs/dbraw/zinc/43/84/40/1039438440.db2.gz ANGXYMGZQURONA-QRVBRYPASA-N 1 2 337.467 3.976 20 0 EHADLO CCCC[N@H+](Cc1cn(CCC(C)=O)nn1)[C@@H](C)c1ccccc1 ZINC000906261523 1039441442 /nfs/dbraw/zinc/44/14/42/1039441442.db2.gz LALCBZPIOGPXJC-KRWDZBQOSA-N 1 2 328.460 3.621 20 0 EHADLO CCCC[N@@H+](Cc1cn(CCC(C)=O)nn1)[C@@H](C)c1ccccc1 ZINC000906261523 1039441450 /nfs/dbraw/zinc/44/14/50/1039441450.db2.gz LALCBZPIOGPXJC-KRWDZBQOSA-N 1 2 328.460 3.621 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000668882988 1039450723 /nfs/dbraw/zinc/45/07/23/1039450723.db2.gz VCXQOQMOMOUUTC-MVWJERBFSA-N 1 2 338.238 3.708 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H](C)C[C@H]3c3cccnc3)nn2)cc1 ZINC000906296308 1039455403 /nfs/dbraw/zinc/45/54/03/1039455403.db2.gz KKBNWVHLZHFITD-JXFKEZNVSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3C[C@@H](C)C[C@H]3c3cccnc3)nn2)cc1 ZINC000906296308 1039455409 /nfs/dbraw/zinc/45/54/09/1039455409.db2.gz KKBNWVHLZHFITD-JXFKEZNVSA-N 1 2 333.439 3.554 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc(OC2CCCC2)c1 ZINC000485720399 1039460964 /nfs/dbraw/zinc/46/09/64/1039460964.db2.gz XBBFDSOWAGERRG-NRFANRHFSA-N 1 2 345.483 3.635 20 0 EHADLO c1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc(OC2CCCC2)c1 ZINC000485720399 1039460972 /nfs/dbraw/zinc/46/09/72/1039460972.db2.gz XBBFDSOWAGERRG-NRFANRHFSA-N 1 2 345.483 3.635 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541945 1039462239 /nfs/dbraw/zinc/46/22/39/1039462239.db2.gz SAVZAODQGKYIRY-DLBZAZTESA-N 1 2 341.459 3.807 20 0 EHADLO O=C(c1cnccc1Oc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000554566407 1039488340 /nfs/dbraw/zinc/48/83/40/1039488340.db2.gz SECSIDQJDGDCQZ-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000488959561 1039504523 /nfs/dbraw/zinc/50/45/23/1039504523.db2.gz CNKSCMUFMKOSMB-IBGZPJMESA-N 1 2 335.407 3.977 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)nc1 ZINC000924124285 1039509369 /nfs/dbraw/zinc/50/93/69/1039509369.db2.gz UAHOSNUIBLMLHL-OAHLLOKOSA-N 1 2 326.444 3.788 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)nc1 ZINC000924124285 1039509379 /nfs/dbraw/zinc/50/93/79/1039509379.db2.gz UAHOSNUIBLMLHL-OAHLLOKOSA-N 1 2 326.444 3.788 20 0 EHADLO CCC1(C(=O)NCCCNc2cccc[nH+]2)CCC(F)(F)CC1 ZINC000668896333 1039535087 /nfs/dbraw/zinc/53/50/87/1039535087.db2.gz UKCUEDOHTZPUGC-UHFFFAOYSA-N 1 2 325.403 3.606 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1C(F)(F)F ZINC000432843697 1039535812 /nfs/dbraw/zinc/53/58/12/1039535812.db2.gz SCJHPLGXLOZHBY-JTQLQIEISA-N 1 2 326.366 3.972 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000485782090 1039553577 /nfs/dbraw/zinc/55/35/77/1039553577.db2.gz FPPUUXQKPSUIHF-JCGIZDLHSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000485782090 1039553592 /nfs/dbraw/zinc/55/35/92/1039553592.db2.gz FPPUUXQKPSUIHF-JCGIZDLHSA-N 1 2 348.437 3.797 20 0 EHADLO CCc1cc2c(CC(=O)N[C@H]3CCn4c[nH+]cc43)csc2s1 ZINC000898810782 1039557053 /nfs/dbraw/zinc/55/70/53/1039557053.db2.gz NTBQVDSJBDFHOB-ZDUSSCGKSA-N 1 2 331.466 3.525 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@H](C3CCCCC3)C2)oc1C ZINC000432866156 1039565368 /nfs/dbraw/zinc/56/53/68/1039565368.db2.gz NQXRGIARSGSOOH-ACJLOTCBSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@H](C3CCCCC3)C2)oc1C ZINC000432866156 1039565392 /nfs/dbraw/zinc/56/53/92/1039565392.db2.gz NQXRGIARSGSOOH-ACJLOTCBSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@H](C3CCCCC3)C2)oc1C ZINC000432866159 1039565969 /nfs/dbraw/zinc/56/59/69/1039565969.db2.gz NQXRGIARSGSOOH-UGSOOPFHSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@H](C3CCCCC3)C2)oc1C ZINC000432866159 1039565986 /nfs/dbraw/zinc/56/59/86/1039565986.db2.gz NQXRGIARSGSOOH-UGSOOPFHSA-N 1 2 335.444 3.717 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000489050526 1039572134 /nfs/dbraw/zinc/57/21/34/1039572134.db2.gz GIZNCWVYLVCLLG-UHFFFAOYSA-N 1 2 329.787 3.947 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000489047988 1039589391 /nfs/dbraw/zinc/58/93/91/1039589391.db2.gz DXHWMXCSYXZGCD-DOTOQJQBSA-N 1 2 333.435 3.940 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[C@@H]([NH3+])C(F)F)n2)c(C)c1 ZINC000911970478 1039616057 /nfs/dbraw/zinc/61/60/57/1039616057.db2.gz GITLGONTBJHPCV-LLVKDONJSA-N 1 2 339.411 3.656 20 0 EHADLO C[C@@H](CC(=O)N1CCCSC[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC000893737876 1039660289 /nfs/dbraw/zinc/66/02/89/1039660289.db2.gz LAOAKNLRICUNBY-DOTOQJQBSA-N 1 2 329.469 3.541 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000912046852 1039662566 /nfs/dbraw/zinc/66/25/66/1039662566.db2.gz AIOYMPNLIQIGFB-CQSZACIVSA-N 1 2 348.397 3.621 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000912046852 1039662573 /nfs/dbraw/zinc/66/25/73/1039662573.db2.gz AIOYMPNLIQIGFB-CQSZACIVSA-N 1 2 348.397 3.621 20 0 EHADLO COC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCC(F)(F)CC1 ZINC000667695762 1039688029 /nfs/dbraw/zinc/68/80/29/1039688029.db2.gz AWEQZGNMGVHXEV-UHFFFAOYSA-N 1 2 335.354 3.610 20 0 EHADLO CC(C)[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000898903820 1039690381 /nfs/dbraw/zinc/69/03/81/1039690381.db2.gz KGTUUGYANCSAMG-MRXNPFEDSA-N 1 2 333.863 3.828 20 0 EHADLO CC(C)[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000898903819 1039690432 /nfs/dbraw/zinc/69/04/32/1039690432.db2.gz KGTUUGYANCSAMG-INIZCTEOSA-N 1 2 333.863 3.828 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)NCC(C)(C)n2cc[nH+]c2)c1C ZINC000898907408 1039694678 /nfs/dbraw/zinc/69/46/78/1039694678.db2.gz WIJCQKBMRODRCG-UHFFFAOYSA-N 1 2 337.423 3.925 20 0 EHADLO Brc1cccc2c(N3CCO[C@H](C4CC4)C3)cc[nH+]c12 ZINC000486025361 1039795267 /nfs/dbraw/zinc/79/52/67/1039795267.db2.gz ZRGSCMHCNUWMER-HNNXBMFYSA-N 1 2 333.229 3.613 20 0 EHADLO COC(=O)[C@@H](CC(F)F)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000554867035 1039853075 /nfs/dbraw/zinc/85/30/75/1039853075.db2.gz OBAJFTQAXFHQFV-AVVWSFFYSA-N 1 2 325.399 3.747 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(C)(OC)CC1 ZINC000553176455 1039855226 /nfs/dbraw/zinc/85/52/26/1039855226.db2.gz COPRNPZQUXOVJR-UHFFFAOYSA-N 1 2 342.439 3.725 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(c1cccs1)c1cccs1 ZINC000668956493 1039857507 /nfs/dbraw/zinc/85/75/07/1039857507.db2.gz ZQBXTEXDFQRYDG-VXGBXAGGSA-N 1 2 343.477 3.552 20 0 EHADLO O=c1oc2ccc(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2o1 ZINC000893946559 1039874734 /nfs/dbraw/zinc/87/47/34/1039874734.db2.gz DQPVMRBRQRJLMB-KRWDZBQOSA-N 1 2 345.782 3.613 20 0 EHADLO O=c1oc2ccc(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2o1 ZINC000893946559 1039874757 /nfs/dbraw/zinc/87/47/57/1039874757.db2.gz DQPVMRBRQRJLMB-KRWDZBQOSA-N 1 2 345.782 3.613 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359496 1039897477 /nfs/dbraw/zinc/89/74/77/1039897477.db2.gz HWSITHGOQBDHNE-HIFRSBDPSA-N 1 2 330.501 3.505 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359496 1039897500 /nfs/dbraw/zinc/89/75/00/1039897500.db2.gz HWSITHGOQBDHNE-HIFRSBDPSA-N 1 2 330.501 3.505 20 0 EHADLO COCC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1scnc1C ZINC000489397254 1039934370 /nfs/dbraw/zinc/93/43/70/1039934370.db2.gz HEGAOOWQNCJQGT-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COCC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1scnc1C ZINC000489397254 1039934378 /nfs/dbraw/zinc/93/43/78/1039934378.db2.gz HEGAOOWQNCJQGT-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+](C)[C@@H]3CC3(C)C)cs2)cc1 ZINC000489442596 1039962867 /nfs/dbraw/zinc/96/28/67/1039962867.db2.gz VAJZAEULTMYQFD-MRXNPFEDSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+](C)[C@@H]3CC3(C)C)cs2)cc1 ZINC000489442596 1039962881 /nfs/dbraw/zinc/96/28/81/1039962881.db2.gz VAJZAEULTMYQFD-MRXNPFEDSA-N 1 2 332.469 3.961 20 0 EHADLO CCCNC(=O)[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553326474 1039977790 /nfs/dbraw/zinc/97/77/90/1039977790.db2.gz GRVWFAYOTRSMQZ-CYBMUJFWSA-N 1 2 331.847 3.631 20 0 EHADLO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ncc(Br)cc1O ZINC000894027624 1039994230 /nfs/dbraw/zinc/99/42/30/1039994230.db2.gz DMYUNZXMCVOUBD-MRVPVSSYSA-N 1 2 341.171 3.760 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)o1 ZINC001142611819 1039995598 /nfs/dbraw/zinc/99/55/98/1039995598.db2.gz OKFPTELSSGGEQU-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)o1 ZINC001142611819 1039995604 /nfs/dbraw/zinc/99/56/04/1039995604.db2.gz OKFPTELSSGGEQU-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)o1 ZINC000067729607 1040052139 /nfs/dbraw/zinc/05/21/39/1040052139.db2.gz GRIXFVRICLZPOD-CQSZACIVSA-N 1 2 347.484 3.546 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000645821048 1040083525 /nfs/dbraw/zinc/08/35/25/1040083525.db2.gz KXLRXDYSFBOJTR-UHFFFAOYSA-N 1 2 337.254 3.778 20 0 EHADLO O[C@@H](Cc1ccccc1)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000489618639 1040092433 /nfs/dbraw/zinc/09/24/33/1040092433.db2.gz FMNDILLQOMWOBZ-INIZCTEOSA-N 1 2 340.854 3.783 20 0 EHADLO O[C@@H](Cc1ccccc1)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000489618639 1040092444 /nfs/dbraw/zinc/09/24/44/1040092444.db2.gz FMNDILLQOMWOBZ-INIZCTEOSA-N 1 2 340.854 3.783 20 0 EHADLO C[C@@H](CCNC(=O)c1ccccc1C[NH+]1CCOCC1)CC(C)(C)C ZINC000489621155 1040096582 /nfs/dbraw/zinc/09/65/82/1040096582.db2.gz RXOLQUWTKJGSLQ-KRWDZBQOSA-N 1 2 346.515 3.711 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccc(C)o1 ZINC000570529715 1040115172 /nfs/dbraw/zinc/11/51/72/1040115172.db2.gz YTQHXPYOURTSAA-SMDDNHRTSA-N 1 2 339.233 3.784 20 0 EHADLO CCc1c(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cnn1C(CC)CC ZINC000907708276 1040137994 /nfs/dbraw/zinc/13/79/94/1040137994.db2.gz DKXLUNOLFBEVHX-UHFFFAOYSA-N 1 2 331.464 3.685 20 0 EHADLO c1[nH+]cn2c1CN(Cc1cccc(OCCCc3ccccc3)c1)CC2 ZINC000555099084 1040156123 /nfs/dbraw/zinc/15/61/23/1040156123.db2.gz LBCJFIXTNMQKLJ-UHFFFAOYSA-N 1 2 347.462 3.911 20 0 EHADLO CC(C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)=C1CCC1 ZINC000907815090 1040181654 /nfs/dbraw/zinc/18/16/54/1040181654.db2.gz IIMXGNYBTSJCFY-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO CC(C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)=C1CCC1 ZINC000907815090 1040181662 /nfs/dbraw/zinc/18/16/62/1040181662.db2.gz IIMXGNYBTSJCFY-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO CC(C)(C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)F ZINC000907816166 1040183526 /nfs/dbraw/zinc/18/35/26/1040183526.db2.gz RESVEIJXLBCRTN-LBPRGKRZSA-N 1 2 339.430 3.722 20 0 EHADLO CC(C)(C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)F ZINC000907816166 1040183536 /nfs/dbraw/zinc/18/35/36/1040183536.db2.gz RESVEIJXLBCRTN-LBPRGKRZSA-N 1 2 339.430 3.722 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCCCS1 ZINC000907816450 1040184886 /nfs/dbraw/zinc/18/48/86/1040184886.db2.gz TVEHLRQQJORFFJ-PBHICJAKSA-N 1 2 347.528 3.717 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCCCS1 ZINC000907816450 1040184892 /nfs/dbraw/zinc/18/48/92/1040184892.db2.gz TVEHLRQQJORFFJ-PBHICJAKSA-N 1 2 347.528 3.717 20 0 EHADLO Clc1cccc2nc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc12 ZINC000432928476 1040201439 /nfs/dbraw/zinc/20/14/39/1040201439.db2.gz MTSSMQMDAQKWBE-CQSZACIVSA-N 1 2 325.799 3.941 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCCCNC(=O)C3CCCC3)c2c1 ZINC000479431636 1040246747 /nfs/dbraw/zinc/24/67/47/1040246747.db2.gz YVCBHEUXXCPAEW-UHFFFAOYSA-N 1 2 342.439 3.627 20 0 EHADLO C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2s1)Cn1cc[nH+]c1 ZINC000669019154 1040260204 /nfs/dbraw/zinc/26/02/04/1040260204.db2.gz ROLGWWOAGDOLPY-NSHDSACASA-N 1 2 333.844 3.817 20 0 EHADLO Brc1cccc(CN(Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000667498514 1040278898 /nfs/dbraw/zinc/27/88/98/1040278898.db2.gz LVVAZNBDDXBGEQ-UHFFFAOYSA-N 1 2 346.272 3.756 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508328 1040296168 /nfs/dbraw/zinc/29/61/68/1040296168.db2.gz GPOWGMCWSROHAV-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508328 1040296176 /nfs/dbraw/zinc/29/61/76/1040296176.db2.gz GPOWGMCWSROHAV-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO CCSc1cccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000553666914 1040300671 /nfs/dbraw/zinc/30/06/71/1040300671.db2.gz LISBVYIBMYDGKN-UHFFFAOYSA-N 1 2 339.464 3.614 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000490019100 1040309829 /nfs/dbraw/zinc/30/98/29/1040309829.db2.gz NJYVJEGDWIMQLU-OIISXLGYSA-N 1 2 325.456 3.625 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000490069230 1040334208 /nfs/dbraw/zinc/33/42/08/1040334208.db2.gz UGGCUUDRXOHKDH-QMMMGPOBSA-N 1 2 347.337 3.590 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC12CCCCC2 ZINC000660317166 1040337396 /nfs/dbraw/zinc/33/73/96/1040337396.db2.gz NOJLCPUTPXMSEJ-QGZVFWFLSA-N 1 2 344.503 3.564 20 0 EHADLO COc1ccc2c(c1OC)CC[N@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000481119922 1040379855 /nfs/dbraw/zinc/37/98/55/1040379855.db2.gz RWSLMRONIMHIQR-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO COc1ccc2c(c1OC)CC[N@@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000481119922 1040379877 /nfs/dbraw/zinc/37/98/77/1040379877.db2.gz RWSLMRONIMHIQR-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3cnc(C4CC4)s3)CC23CCOCC3)c1 ZINC000668673178 1040385257 /nfs/dbraw/zinc/38/52/57/1040385257.db2.gz JRJIXNQETOVHEM-MRXNPFEDSA-N 1 2 330.453 3.967 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3cnc(C4CC4)s3)CC23CCOCC3)c1 ZINC000668673178 1040385275 /nfs/dbraw/zinc/38/52/75/1040385275.db2.gz JRJIXNQETOVHEM-MRXNPFEDSA-N 1 2 330.453 3.967 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490230454 1040412253 /nfs/dbraw/zinc/41/22/53/1040412253.db2.gz NXNPJYJGTJDPAY-ZLIFDBKOSA-N 1 2 339.430 3.540 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490230454 1040412263 /nfs/dbraw/zinc/41/22/63/1040412263.db2.gz NXNPJYJGTJDPAY-ZLIFDBKOSA-N 1 2 339.430 3.540 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1cc(Br)cs1 ZINC000667531151 1040461118 /nfs/dbraw/zinc/46/11/18/1040461118.db2.gz YKMZISSRTRSIAI-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000667531151 1040461134 /nfs/dbraw/zinc/46/11/34/1040461134.db2.gz YKMZISSRTRSIAI-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000908427747 1040448013 /nfs/dbraw/zinc/44/80/13/1040448013.db2.gz PZGQMCIGBBXJQC-MRXNPFEDSA-N 1 2 331.847 3.620 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000411137613 1040486056 /nfs/dbraw/zinc/48/60/56/1040486056.db2.gz UZWGXBVNGKJTIM-CSMYWGQOSA-N 1 2 345.487 3.522 20 0 EHADLO O[C@H]1CCCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663946563 1040547356 /nfs/dbraw/zinc/54/73/56/1040547356.db2.gz XNWMSWXRLRZQKJ-KRWDZBQOSA-N 1 2 348.450 3.593 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667547492 1040578090 /nfs/dbraw/zinc/57/80/90/1040578090.db2.gz NNVDUDQBMMORAE-AWEZNQCLSA-N 1 2 339.361 3.733 20 0 EHADLO FC(F)(F)c1ccc2nnc(C[NH2+]Cc3sccc3Cl)n2c1 ZINC000486962254 1040606694 /nfs/dbraw/zinc/60/66/94/1040606694.db2.gz DREMJUYOAUTLEF-UHFFFAOYSA-N 1 2 346.765 3.753 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)s1 ZINC000418135613 1040630859 /nfs/dbraw/zinc/63/08/59/1040630859.db2.gz AXJWHPLAIYHHCJ-CQSZACIVSA-N 1 2 349.525 3.753 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)s1 ZINC000418135613 1040630870 /nfs/dbraw/zinc/63/08/70/1040630870.db2.gz AXJWHPLAIYHHCJ-CQSZACIVSA-N 1 2 349.525 3.753 20 0 EHADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000600174491 1040766387 /nfs/dbraw/zinc/76/63/87/1040766387.db2.gz WCCUBUNWBRNSLI-WCJKSRRJSA-N 1 2 331.868 3.712 20 0 EHADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000600174491 1040766400 /nfs/dbraw/zinc/76/64/00/1040766400.db2.gz WCCUBUNWBRNSLI-WCJKSRRJSA-N 1 2 331.868 3.712 20 0 EHADLO CCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000490842936 1040777323 /nfs/dbraw/zinc/77/73/23/1040777323.db2.gz NMGRXWWXNHWKAD-HNNXBMFYSA-N 1 2 344.846 3.698 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)s1 ZINC000668755399 1040779785 /nfs/dbraw/zinc/77/97/85/1040779785.db2.gz XWHIBKIFEPYDPJ-HNNXBMFYSA-N 1 2 341.542 3.944 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)s1 ZINC000668755399 1040779811 /nfs/dbraw/zinc/77/98/11/1040779811.db2.gz XWHIBKIFEPYDPJ-HNNXBMFYSA-N 1 2 341.542 3.944 20 0 EHADLO CCC[N@@H+](Cc1ncoc1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000092793882 1040788677 /nfs/dbraw/zinc/78/86/77/1040788677.db2.gz MKOVFGRMTCFKRD-OAHLLOKOSA-N 1 2 330.428 3.850 20 0 EHADLO CCC[N@H+](Cc1ncoc1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000092793882 1040788694 /nfs/dbraw/zinc/78/86/94/1040788694.db2.gz MKOVFGRMTCFKRD-OAHLLOKOSA-N 1 2 330.428 3.850 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)[C@H]1SC ZINC000600189417 1040800705 /nfs/dbraw/zinc/80/07/05/1040800705.db2.gz GHDMLEGCULQRJX-QKPAOTATSA-N 1 2 329.456 3.752 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)Nc2cccc(C(C)C)c2)c(C)[nH+]1 ZINC000411388768 1040811270 /nfs/dbraw/zinc/81/12/70/1040811270.db2.gz OSJLKMGOXWGLHY-UHFFFAOYSA-N 1 2 325.412 3.707 20 0 EHADLO O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CCCCCCCC1 ZINC000909201514 1040866818 /nfs/dbraw/zinc/86/68/18/1040866818.db2.gz DSKQGQUDGUQLRY-UHFFFAOYSA-N 1 2 340.471 3.792 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CC3(O)CCCCC3)c2)[nH+]c1C ZINC000364338943 1040883581 /nfs/dbraw/zinc/88/35/81/1040883581.db2.gz MEAVVKPFCIUYAW-UHFFFAOYSA-N 1 2 327.428 3.717 20 0 EHADLO CCCCOc1cccc(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001211792494 1040903135 /nfs/dbraw/zinc/90/31/35/1040903135.db2.gz GQOUVAXRUFPDQS-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043315892 1040956116 /nfs/dbraw/zinc/95/61/16/1040956116.db2.gz SBKLYIIRDLHIPM-UHFFFAOYSA-N 1 2 338.455 3.733 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(F)cc1 ZINC000487562412 1040959164 /nfs/dbraw/zinc/95/91/64/1040959164.db2.gz SBRXQNWVBKTNFO-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(F)cc1 ZINC000487562412 1040959183 /nfs/dbraw/zinc/95/91/83/1040959183.db2.gz SBRXQNWVBKTNFO-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425288539 1040962993 /nfs/dbraw/zinc/96/29/93/1040962993.db2.gz XZUNUMYUHDGDLS-ZWKOTPCHSA-N 1 2 325.456 3.826 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508872 1040985313 /nfs/dbraw/zinc/98/53/13/1040985313.db2.gz QAUVWBAYMGUOBF-LRDDRELGSA-N 1 2 332.831 3.662 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508872 1040985334 /nfs/dbraw/zinc/98/53/34/1040985334.db2.gz QAUVWBAYMGUOBF-LRDDRELGSA-N 1 2 332.831 3.662 20 0 EHADLO CN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCCc2ccccc21 ZINC000046944401 1041055246 /nfs/dbraw/zinc/05/52/46/1041055246.db2.gz XNBBEDVVJQBTEP-SFHVURJKSA-N 1 2 338.455 3.603 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278391 1041057701 /nfs/dbraw/zinc/05/77/01/1041057701.db2.gz HJQRPAVHJNDRBQ-BEFAXECRSA-N 1 2 344.455 3.662 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000481564270 1041062645 /nfs/dbraw/zinc/06/26/45/1041062645.db2.gz OSHXQGANWPDNHP-DNVCBOLYSA-N 1 2 329.415 3.612 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)nnc1C1CCC1 ZINC000419280648 1041070138 /nfs/dbraw/zinc/07/01/38/1041070138.db2.gz AERLLAPBTVREFR-INIZCTEOSA-N 1 2 346.425 3.568 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)nnc1C1CCC1 ZINC000419280648 1041070150 /nfs/dbraw/zinc/07/01/50/1041070150.db2.gz AERLLAPBTVREFR-INIZCTEOSA-N 1 2 346.425 3.568 20 0 EHADLO O[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1c(F)cccc1Cl ZINC000783257037 1041075197 /nfs/dbraw/zinc/07/51/97/1041075197.db2.gz ZCBCEDZJANYJLW-WBVHZDCISA-N 1 2 345.805 3.615 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)n1 ZINC000433208342 1041097052 /nfs/dbraw/zinc/09/70/52/1041097052.db2.gz NBSFBHZJULXHRO-UHFFFAOYSA-N 1 2 332.425 3.592 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC(C)=C(c3ccco3)C2)n1 ZINC000433208342 1041097070 /nfs/dbraw/zinc/09/70/70/1041097070.db2.gz NBSFBHZJULXHRO-UHFFFAOYSA-N 1 2 332.425 3.592 20 0 EHADLO O=C(/C=C/c1ccsc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000055121626 1041113109 /nfs/dbraw/zinc/11/31/09/1041113109.db2.gz QGILQECQIFQJGH-SNAWJCMRSA-N 1 2 333.482 3.842 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239384 1041114301 /nfs/dbraw/zinc/11/43/01/1041114301.db2.gz GBDXQGPXUJKXFJ-CQSZACIVSA-N 1 2 326.843 3.702 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239384 1041114314 /nfs/dbraw/zinc/11/43/14/1041114314.db2.gz GBDXQGPXUJKXFJ-CQSZACIVSA-N 1 2 326.843 3.702 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799829 1041131376 /nfs/dbraw/zinc/13/13/76/1041131376.db2.gz DYWOXRQNBIRBDX-KSSFIOAISA-N 1 2 332.398 3.542 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799829 1041131384 /nfs/dbraw/zinc/13/13/84/1041131384.db2.gz DYWOXRQNBIRBDX-KSSFIOAISA-N 1 2 332.398 3.542 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC3CCC=CCC3)c2)cc[nH+]1 ZINC000899804715 1041161744 /nfs/dbraw/zinc/16/17/44/1041161744.db2.gz XLHWITYIJWBOSA-UHFFFAOYSA-N 1 2 336.439 3.626 20 0 EHADLO O=C(NCCn1cc[nH+]c1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000481638275 1041185510 /nfs/dbraw/zinc/18/55/10/1041185510.db2.gz GWKXWGZCGOYDTJ-UHFFFAOYSA-N 1 2 345.874 3.846 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859431 1041200711 /nfs/dbraw/zinc/20/07/11/1041200711.db2.gz RXPXPTKLVJIOQY-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859431 1041200728 /nfs/dbraw/zinc/20/07/28/1041200728.db2.gz RXPXPTKLVJIOQY-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859429 1041201584 /nfs/dbraw/zinc/20/15/84/1041201584.db2.gz RXPXPTKLVJIOQY-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859429 1041201598 /nfs/dbraw/zinc/20/15/98/1041201598.db2.gz RXPXPTKLVJIOQY-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc(C3CC3)no2)c2ccccc2)CCCCC1 ZINC000412015851 1041208678 /nfs/dbraw/zinc/20/86/78/1041208678.db2.gz URUFVNMERAJCIM-GOSISDBHSA-N 1 2 341.455 3.721 20 0 EHADLO CCN(CC)[C@H](C[NH2+]Cc1ncc(C(F)(F)F)s1)c1ccco1 ZINC000433303697 1041244753 /nfs/dbraw/zinc/24/47/53/1041244753.db2.gz LRYGTTKIPLUFOH-LLVKDONJSA-N 1 2 347.406 3.928 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@@]1=O ZINC000759873067 1041259502 /nfs/dbraw/zinc/25/95/02/1041259502.db2.gz ACYPOSCGOYPTON-MQJDWESPSA-N 1 2 337.432 3.641 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@@]1=O ZINC000759873067 1041259515 /nfs/dbraw/zinc/25/95/15/1041259515.db2.gz ACYPOSCGOYPTON-MQJDWESPSA-N 1 2 337.432 3.641 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@@H](CC)C2)nc1-c1ccncc1 ZINC000126237769 1041322502 /nfs/dbraw/zinc/32/25/02/1041322502.db2.gz JQQBFHJEKBJTLM-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@@H](CC)C2)nc1-c1ccncc1 ZINC000126237769 1041322516 /nfs/dbraw/zinc/32/25/16/1041322516.db2.gz JQQBFHJEKBJTLM-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660442089 1041378602 /nfs/dbraw/zinc/37/86/02/1041378602.db2.gz NRSJPXIISPHCTI-JQWIXIFHSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660442089 1041378613 /nfs/dbraw/zinc/37/86/13/1041378613.db2.gz NRSJPXIISPHCTI-JQWIXIFHSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](CC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000576283265 1041424964 /nfs/dbraw/zinc/42/49/64/1041424964.db2.gz IAOYWZAWVWETJH-ZFWWWQNUSA-N 1 2 339.361 3.687 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000660458523 1041472328 /nfs/dbraw/zinc/47/23/28/1041472328.db2.gz ZVAQOYRVMWQCMS-HZPDHXFCSA-N 1 2 326.444 3.592 20 0 EHADLO C[NH+](C)[C@@H](CN=c1[nH]c2cc(F)ccc2o1)c1ccccc1Cl ZINC000511699609 1041476808 /nfs/dbraw/zinc/47/68/08/1041476808.db2.gz GPFPTQKGFXIZPU-HNNXBMFYSA-N 1 2 333.794 3.757 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000047273571 1041603962 /nfs/dbraw/zinc/60/39/62/1041603962.db2.gz XXQNFEPECKKCSQ-MAUKXSAKSA-N 1 2 341.455 3.560 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000047273571 1041603968 /nfs/dbraw/zinc/60/39/68/1041603968.db2.gz XXQNFEPECKKCSQ-MAUKXSAKSA-N 1 2 341.455 3.560 20 0 EHADLO C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102196 1041610078 /nfs/dbraw/zinc/61/00/78/1041610078.db2.gz JUFFNRAYQRHAJN-APWZRJJASA-N 1 2 337.467 3.762 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C)[C@H](C)C(C)(C)C)c2=S)cc1C ZINC000026630288 1041721547 /nfs/dbraw/zinc/72/15/47/1041721547.db2.gz SYRQCNQAVMGUMX-CQSZACIVSA-N 1 2 333.505 3.739 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C)[C@H](C)C(C)(C)C)c2=S)cc1C ZINC000026630288 1041721555 /nfs/dbraw/zinc/72/15/55/1041721555.db2.gz SYRQCNQAVMGUMX-CQSZACIVSA-N 1 2 333.505 3.739 20 0 EHADLO Cc1nc([C@@](C)([NH2+]CCSc2ccc(F)cc2F)C2CC2)no1 ZINC000660633592 1041736889 /nfs/dbraw/zinc/73/68/89/1041736889.db2.gz WFHGXDJHIGFLCE-INIZCTEOSA-N 1 2 339.411 3.663 20 0 EHADLO CC(C)c1ccc(-c2nc(C(=O)NCCn3cc[nH+]c3)cs2)cc1 ZINC000044011418 1041808392 /nfs/dbraw/zinc/80/83/92/1041808392.db2.gz RJOWMJJWIXUSDU-UHFFFAOYSA-N 1 2 340.452 3.560 20 0 EHADLO O=c1[nH]c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)nc2cc(C(F)(F)F)ccc12 ZINC000660930788 1041872951 /nfs/dbraw/zinc/87/29/51/1041872951.db2.gz KTHUBOFNMXCGGI-HZMBPMFUSA-N 1 2 337.345 3.729 20 0 EHADLO O=c1[nH]c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)nc2cc(C(F)(F)F)ccc12 ZINC000660930788 1041872962 /nfs/dbraw/zinc/87/29/62/1041872962.db2.gz KTHUBOFNMXCGGI-HZMBPMFUSA-N 1 2 337.345 3.729 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(Cl)c2)CCC1 ZINC000075552280 1041937708 /nfs/dbraw/zinc/93/77/08/1041937708.db2.gz AYGZJNYDDHLRSL-AWEZNQCLSA-N 1 2 343.858 3.891 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCCCCC2 ZINC000827984350 1041975479 /nfs/dbraw/zinc/97/54/79/1041975479.db2.gz BRYSQSIVLWNJDV-NUJGCVRESA-N 1 2 329.488 3.731 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1 ZINC000661167995 1041982960 /nfs/dbraw/zinc/98/29/60/1041982960.db2.gz QZBCLOQHDLLEEM-LIRRHRJNSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1 ZINC000661167995 1041982973 /nfs/dbraw/zinc/98/29/73/1041982973.db2.gz QZBCLOQHDLLEEM-LIRRHRJNSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1nccn1CC(C)C ZINC000651751910 1042000416 /nfs/dbraw/zinc/00/04/16/1042000416.db2.gz MLJUCBHJYZZGPN-UHFFFAOYSA-N 1 2 337.471 3.631 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCC2)c2ccc(F)cc2Cl)cc1 ZINC000487348785 1042004148 /nfs/dbraw/zinc/00/41/48/1042004148.db2.gz ZGDFPQPMTHSHBG-IBGZPJMESA-N 1 2 346.833 3.699 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)[nH]1 ZINC000661208373 1042007804 /nfs/dbraw/zinc/00/78/04/1042007804.db2.gz SKWUYNQIYBWAMP-IFXJQAMLSA-N 1 2 336.439 3.816 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001126055908 1042034909 /nfs/dbraw/zinc/03/49/09/1042034909.db2.gz XOJRSJYNOJDTRM-IERDGZPVSA-N 1 2 349.434 3.749 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1cncc(F)c1 ZINC000164352483 1042075169 /nfs/dbraw/zinc/07/51/69/1042075169.db2.gz VSRNABVCKYMQTM-MRXNPFEDSA-N 1 2 338.430 3.901 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cscn1 ZINC000661420681 1042112643 /nfs/dbraw/zinc/11/26/43/1042112643.db2.gz KHTVXEUIUGVDNN-AWEZNQCLSA-N 1 2 331.485 3.621 20 0 EHADLO CC[C@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccc(Cl)cc1 ZINC000661419954 1042112667 /nfs/dbraw/zinc/11/26/67/1042112667.db2.gz GRDTVDNZWIXISJ-FZMZJTMJSA-N 1 2 337.876 3.715 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@H]2CCCC2(F)F)Cc2ccccc2C1 ZINC001167778567 1042112700 /nfs/dbraw/zinc/11/27/00/1042112700.db2.gz HKDXNYTXBQRWKD-MRXNPFEDSA-N 1 2 337.410 3.502 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cscn1 ZINC000661424178 1042113984 /nfs/dbraw/zinc/11/39/84/1042113984.db2.gz OGWTVPNDYVEXCR-GJZGRUSLSA-N 1 2 343.496 3.621 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCCC12CCCCC2 ZINC000661437210 1042117055 /nfs/dbraw/zinc/11/70/55/1042117055.db2.gz ZZORLPDPOXNFHW-MRXNPFEDSA-N 1 2 326.444 3.637 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000047649498 1042119629 /nfs/dbraw/zinc/11/96/29/1042119629.db2.gz CSIZAWQFVSDWEG-KRWDZBQOSA-N 1 2 342.487 3.598 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000661466066 1042137087 /nfs/dbraw/zinc/13/70/87/1042137087.db2.gz HNWQZUVOIREJRT-INIZCTEOSA-N 1 2 337.467 3.504 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000661466066 1042137090 /nfs/dbraw/zinc/13/70/90/1042137090.db2.gz HNWQZUVOIREJRT-INIZCTEOSA-N 1 2 337.467 3.504 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000661487767 1042143350 /nfs/dbraw/zinc/14/33/50/1042143350.db2.gz PTYAETSGPKNALE-RDTXWAMCSA-N 1 2 339.418 3.849 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513791 1042160084 /nfs/dbraw/zinc/16/00/84/1042160084.db2.gz LBAMLOYOLPCGOG-HNAYVOBHSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513791 1042160089 /nfs/dbraw/zinc/16/00/89/1042160089.db2.gz LBAMLOYOLPCGOG-HNAYVOBHSA-N 1 2 326.415 3.792 20 0 EHADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCCc3ccc(Br)cc32)o1 ZINC000661529706 1042171236 /nfs/dbraw/zinc/17/12/36/1042171236.db2.gz SFJWVTIVYRDVTF-CQSZACIVSA-N 1 2 336.233 3.650 20 0 EHADLO Cc1nnc(C[N@H+](C)[C@@H]2CCCc3ccc(Br)cc32)o1 ZINC000661529706 1042171243 /nfs/dbraw/zinc/17/12/43/1042171243.db2.gz SFJWVTIVYRDVTF-CQSZACIVSA-N 1 2 336.233 3.650 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889765 1042209512 /nfs/dbraw/zinc/20/95/12/1042209512.db2.gz CWKZNZRBMSWWJF-AWEZNQCLSA-N 1 2 340.452 3.836 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)CC2=CCCOC2)cs1 ZINC000661657993 1042238600 /nfs/dbraw/zinc/23/86/00/1042238600.db2.gz WUAHIXOYBASVKO-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)CC2=CCCOC2)cs1 ZINC000661657993 1042238602 /nfs/dbraw/zinc/23/86/02/1042238602.db2.gz WUAHIXOYBASVKO-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)cc1F ZINC000661660229 1042239910 /nfs/dbraw/zinc/23/99/10/1042239910.db2.gz HTTNQRKLTNZQFJ-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)cc1F ZINC000661660229 1042239916 /nfs/dbraw/zinc/23/99/16/1042239916.db2.gz HTTNQRKLTNZQFJ-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000026190164 1042416008 /nfs/dbraw/zinc/41/60/08/1042416008.db2.gz KTRSNINOOAQRRQ-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000026190164 1042416011 /nfs/dbraw/zinc/41/60/11/1042416011.db2.gz KTRSNINOOAQRRQ-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO CCc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1Br ZINC001126177610 1042417497 /nfs/dbraw/zinc/41/74/97/1042417497.db2.gz IZYYILGXIOZLLN-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc3[nH+]ccn32)cc1Br ZINC001126178073 1042419942 /nfs/dbraw/zinc/41/99/42/1042419942.db2.gz RKEBGOBSKAYINU-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661957154 1042432180 /nfs/dbraw/zinc/43/21/80/1042432180.db2.gz BXOINMCVZHLTTJ-UHFFFAOYSA-N 1 2 329.419 3.531 20 0 EHADLO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000662017121 1042463222 /nfs/dbraw/zinc/46/32/22/1042463222.db2.gz ODNPKFPDGWDJGK-INIZCTEOSA-N 1 2 340.452 3.509 20 0 EHADLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000662017121 1042463227 /nfs/dbraw/zinc/46/32/27/1042463227.db2.gz ODNPKFPDGWDJGK-INIZCTEOSA-N 1 2 340.452 3.509 20 0 EHADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000652431781 1042473060 /nfs/dbraw/zinc/47/30/60/1042473060.db2.gz NAJVSSYFBPUQST-RTBURBONSA-N 1 2 337.467 3.557 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000248555320 1042526065 /nfs/dbraw/zinc/52/60/65/1042526065.db2.gz LLZSBSVOMYVPOG-CRAIPNDOSA-N 1 2 342.464 3.667 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000248555320 1042526068 /nfs/dbraw/zinc/52/60/68/1042526068.db2.gz LLZSBSVOMYVPOG-CRAIPNDOSA-N 1 2 342.464 3.667 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000093816505 1042545444 /nfs/dbraw/zinc/54/54/44/1042545444.db2.gz XROMGPUZJQWMCM-UHFFFAOYSA-N 1 2 343.492 3.671 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000093816505 1042545446 /nfs/dbraw/zinc/54/54/46/1042545446.db2.gz XROMGPUZJQWMCM-UHFFFAOYSA-N 1 2 343.492 3.671 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000628302825 1042568813 /nfs/dbraw/zinc/56/88/13/1042568813.db2.gz TWGPVZFDVWPUHL-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000628302825 1042568815 /nfs/dbraw/zinc/56/88/15/1042568815.db2.gz TWGPVZFDVWPUHL-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(C(F)(F)F)nn1C ZINC000663257377 1042605580 /nfs/dbraw/zinc/60/55/80/1042605580.db2.gz VYGRKRFMHISBNU-UHFFFAOYSA-N 1 2 341.312 3.560 20 0 EHADLO Cn1nc(C(F)(F)F)cc1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000663257490 1042606132 /nfs/dbraw/zinc/60/61/32/1042606132.db2.gz WHBQEDWGRPMPND-UHFFFAOYSA-N 1 2 343.740 3.591 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000060459509 1042611155 /nfs/dbraw/zinc/61/11/55/1042611155.db2.gz GVWVJSXHXJRMAO-UHFFFAOYSA-N 1 2 340.442 3.907 20 0 EHADLO C[N@H+](CC1=CCSC1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000662270293 1042646529 /nfs/dbraw/zinc/64/65/29/1042646529.db2.gz PGZHBJDAUPXTDA-UHFFFAOYSA-N 1 2 347.509 3.782 20 0 EHADLO C[N@@H+](CC1=CCSC1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000662270293 1042646530 /nfs/dbraw/zinc/64/65/30/1042646530.db2.gz PGZHBJDAUPXTDA-UHFFFAOYSA-N 1 2 347.509 3.782 20 0 EHADLO Cc1nn(C[N@H+](C)CCC2CC2)c(=S)n1CCc1cccs1 ZINC000162894550 1042670338 /nfs/dbraw/zinc/67/03/38/1042670338.db2.gz WQRDVVHLRUHTKS-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO Cc1nn(C[N@@H+](C)CCC2CC2)c(=S)n1CCc1cccs1 ZINC000162894550 1042670342 /nfs/dbraw/zinc/67/03/42/1042670342.db2.gz WQRDVVHLRUHTKS-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO C[N@H+](CCC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000162895242 1042670726 /nfs/dbraw/zinc/67/07/26/1042670726.db2.gz XDYKISJHYQFYCA-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO C[N@@H+](CCC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000162895242 1042670727 /nfs/dbraw/zinc/67/07/27/1042670727.db2.gz XDYKISJHYQFYCA-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1OC1CCCC1 ZINC000165203770 1042672136 /nfs/dbraw/zinc/67/21/36/1042672136.db2.gz UBFOZGGSVOLZKE-AWEZNQCLSA-N 1 2 327.428 3.657 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000278867311 1042764154 /nfs/dbraw/zinc/76/41/54/1042764154.db2.gz YHYDDDRDTQRMKO-WDEREUQCSA-N 1 2 331.445 3.886 20 0 EHADLO Cc1[nH]c(CN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)[nH+]c1C ZINC001167813324 1042872366 /nfs/dbraw/zinc/87/23/66/1042872366.db2.gz VRLHCKXIORKQTH-GOSISDBHSA-N 1 2 341.846 3.691 20 0 EHADLO CCc1oc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000408269193 1042902446 /nfs/dbraw/zinc/90/24/46/1042902446.db2.gz AWJCUSOUWOJLIG-UHFFFAOYSA-N 1 2 341.455 3.703 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccc(OC(C)(C)C)cc2)cc(C)[nH+]1 ZINC000643242172 1042905227 /nfs/dbraw/zinc/90/52/27/1042905227.db2.gz QDGAHCRDZGSISN-UHFFFAOYSA-N 1 2 341.455 3.875 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC(C)(C)C1 ZINC000303208809 1042917150 /nfs/dbraw/zinc/91/71/50/1042917150.db2.gz QOWHZCWKYSWVID-OLZOCXBDSA-N 1 2 335.517 3.922 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC(C)(C)C1 ZINC000303208809 1042917152 /nfs/dbraw/zinc/91/71/52/1042917152.db2.gz QOWHZCWKYSWVID-OLZOCXBDSA-N 1 2 335.517 3.922 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852609 1042997692 /nfs/dbraw/zinc/99/76/92/1042997692.db2.gz QBGGDASJNOGTCZ-KBAYOESNSA-N 1 2 325.456 3.969 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000432391468 1043052323 /nfs/dbraw/zinc/05/23/23/1043052323.db2.gz LDIYKBSGIFCPMK-PWIZWCRZSA-N 1 2 339.483 3.734 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279004347 1043180869 /nfs/dbraw/zinc/18/08/69/1043180869.db2.gz RYIXWXWYDJDOEQ-GOSISDBHSA-N 1 2 325.456 3.764 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000279021104 1043202493 /nfs/dbraw/zinc/20/24/93/1043202493.db2.gz BZTOPCYBSPIAOS-HNNXBMFYSA-N 1 2 348.878 3.633 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000279021104 1043202501 /nfs/dbraw/zinc/20/25/01/1043202501.db2.gz BZTOPCYBSPIAOS-HNNXBMFYSA-N 1 2 348.878 3.633 20 0 EHADLO Cc1ccc2ccccc2c1C[N@H+](C)Cc1ncnn1CC(F)F ZINC000279023417 1043212670 /nfs/dbraw/zinc/21/26/70/1043212670.db2.gz VZNUFUXCRQJCEJ-UHFFFAOYSA-N 1 2 330.382 3.637 20 0 EHADLO Cc1ccc2ccccc2c1C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000279023417 1043212682 /nfs/dbraw/zinc/21/26/82/1043212682.db2.gz VZNUFUXCRQJCEJ-UHFFFAOYSA-N 1 2 330.382 3.637 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000279048296 1043259620 /nfs/dbraw/zinc/25/96/20/1043259620.db2.gz YGQMLRODGMMMDI-DCAQKATOSA-N 1 2 349.422 3.507 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279068195 1043301240 /nfs/dbraw/zinc/30/12/40/1043301240.db2.gz ZWAVTHFXHLOWCV-VHSXEESVSA-N 1 2 337.411 3.507 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cccnc2OCC(F)F)s1 ZINC000279073824 1043305196 /nfs/dbraw/zinc/30/51/96/1043305196.db2.gz GHSNHWRMPCRUTD-UHFFFAOYSA-N 1 2 341.427 3.769 20 0 EHADLO COc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC000344167930 1043364421 /nfs/dbraw/zinc/36/44/21/1043364421.db2.gz UTRBUNQIHBUUOO-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO C[C@H](c1cccs1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000014980654 1043375970 /nfs/dbraw/zinc/37/59/70/1043375970.db2.gz MBLJOTBIRVLJFD-LLVKDONJSA-N 1 2 343.408 3.720 20 0 EHADLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000014980654 1043375975 /nfs/dbraw/zinc/37/59/75/1043375975.db2.gz MBLJOTBIRVLJFD-LLVKDONJSA-N 1 2 343.408 3.720 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc2cccnc21 ZINC000344210565 1043447522 /nfs/dbraw/zinc/44/75/22/1043447522.db2.gz MSQJGTVSKKWUIW-UHFFFAOYSA-N 1 2 342.402 3.756 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1Cc1cnc[nH]1 ZINC000344241154 1043492727 /nfs/dbraw/zinc/49/27/27/1043492727.db2.gz VZENFZZOLUUDAS-CHWSQXEVSA-N 1 2 338.377 3.528 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1Cc1c[nH]cn1 ZINC000344241154 1043492731 /nfs/dbraw/zinc/49/27/31/1043492731.db2.gz VZENFZZOLUUDAS-CHWSQXEVSA-N 1 2 338.377 3.528 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1Oc1ccccc1 ZINC000007660383 1043500086 /nfs/dbraw/zinc/50/00/86/1043500086.db2.gz SCFYOVVXUUWZNE-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1Oc1ccccc1 ZINC000007660383 1043500101 /nfs/dbraw/zinc/50/01/01/1043500101.db2.gz SCFYOVVXUUWZNE-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279249331 1043652094 /nfs/dbraw/zinc/65/20/94/1043652094.db2.gz PFTRVJCIIFMYKK-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO CC1(C)C[S@](=O)CC[N@@H+]1CCCSc1ccccc1Cl ZINC000351521810 1043669034 /nfs/dbraw/zinc/66/90/34/1043669034.db2.gz IIQJSTXJBMLOKL-HXUWFJFHSA-N 1 2 331.934 3.665 20 0 EHADLO CC1(C)C[S@](=O)CC[N@H+]1CCCSc1ccccc1Cl ZINC000351521810 1043669043 /nfs/dbraw/zinc/66/90/43/1043669043.db2.gz IIQJSTXJBMLOKL-HXUWFJFHSA-N 1 2 331.934 3.665 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000162758356 1043768188 /nfs/dbraw/zinc/76/81/88/1043768188.db2.gz ZQQZVDRXSQREHI-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)n1 ZINC000893662549 1043772162 /nfs/dbraw/zinc/77/21/62/1043772162.db2.gz XQTUPDZIFJIEGL-UHFFFAOYSA-N 1 2 346.446 3.681 20 0 EHADLO C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162773214 1043778545 /nfs/dbraw/zinc/77/85/45/1043778545.db2.gz APWCQDQEUQYGAC-GFCCVEGCSA-N 1 2 325.343 3.622 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)o1 ZINC000279394143 1044024927 /nfs/dbraw/zinc/02/49/27/1044024927.db2.gz CIVNBYUDTOCMPS-CHWSQXEVSA-N 1 2 325.416 3.742 20 0 EHADLO Cc1nc(NCC(C)(C)c2ccncc2)c(Br)c(C)[nH+]1 ZINC000663762445 1044151632 /nfs/dbraw/zinc/15/16/32/1044151632.db2.gz CIQWUKJKZPLTQW-UHFFFAOYSA-N 1 2 335.249 3.641 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(F)cc3F)n2)c1 ZINC000279525870 1044186787 /nfs/dbraw/zinc/18/67/87/1044186787.db2.gz OTTBBQFEEJVRFQ-VXGBXAGGSA-N 1 2 343.381 3.865 20 0 EHADLO c1nc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n(-c2ccccc2)n1 ZINC000279539041 1044197810 /nfs/dbraw/zinc/19/78/10/1044197810.db2.gz PVUILOAYBLYECO-SFHVURJKSA-N 1 2 346.434 3.803 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(F)c(Br)c2)s1 ZINC000344630390 1044217426 /nfs/dbraw/zinc/21/74/26/1044217426.db2.gz NKUKNTSMZJPWMG-UHFFFAOYSA-N 1 2 344.253 3.853 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nnc(C(C)C)s3)s2)o1 ZINC000344630237 1044217631 /nfs/dbraw/zinc/21/76/31/1044217631.db2.gz LWBRJPKESVHYJZ-UHFFFAOYSA-N 1 2 334.470 3.976 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000279581694 1044261405 /nfs/dbraw/zinc/26/14/05/1044261405.db2.gz UREGIJQTLDTWEN-UYUBTLJZSA-N 1 2 342.483 3.670 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000344677209 1044264623 /nfs/dbraw/zinc/26/46/23/1044264623.db2.gz USGAPGOEQPURKO-FQEVSTJZSA-N 1 2 331.419 3.988 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000279619429 1044317660 /nfs/dbraw/zinc/31/76/60/1044317660.db2.gz GRRWCVLTALOGAQ-UHFFFAOYSA-N 1 2 343.446 3.506 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000279721831 1044462756 /nfs/dbraw/zinc/46/27/56/1044462756.db2.gz LWPFPEAKLUPMGM-HNNXBMFYSA-N 1 2 348.878 3.803 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000279721831 1044462759 /nfs/dbraw/zinc/46/27/59/1044462759.db2.gz LWPFPEAKLUPMGM-HNNXBMFYSA-N 1 2 348.878 3.803 20 0 EHADLO COCC[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1cccnc1 ZINC000348971255 1044489670 /nfs/dbraw/zinc/48/96/70/1044489670.db2.gz XZSIWQIBPIYFKA-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO COCC[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1cccnc1 ZINC000348971255 1044489660 /nfs/dbraw/zinc/48/96/60/1044489660.db2.gz XZSIWQIBPIYFKA-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO CO[C@H]1CCOc2c(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cccc21 ZINC000344936620 1044703247 /nfs/dbraw/zinc/70/32/47/1044703247.db2.gz RYVBKQUDRAQRRP-SFHVURJKSA-N 1 2 349.390 3.595 20 0 EHADLO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000344994556 1044793322 /nfs/dbraw/zinc/79/33/22/1044793322.db2.gz RFUGIWNOTIPNNW-SJORKVTESA-N 1 2 326.465 3.516 20 0 EHADLO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000344994556 1044793330 /nfs/dbraw/zinc/79/33/30/1044793330.db2.gz RFUGIWNOTIPNNW-SJORKVTESA-N 1 2 326.465 3.516 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000153836477 1125666315 /nfs/dbraw/zinc/66/63/15/1125666315.db2.gz ZHSOJEHAJYZZEZ-GOSISDBHSA-N 1 2 326.440 3.514 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000153836477 1125666320 /nfs/dbraw/zinc/66/63/20/1125666320.db2.gz ZHSOJEHAJYZZEZ-GOSISDBHSA-N 1 2 326.440 3.514 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000154836684 1125759577 /nfs/dbraw/zinc/75/95/77/1125759577.db2.gz HKIKHDPZGMMWGY-HOCLYGCPSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000154836684 1125759585 /nfs/dbraw/zinc/75/95/85/1125759585.db2.gz HKIKHDPZGMMWGY-HOCLYGCPSA-N 1 2 342.439 3.872 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000155102236 1125787021 /nfs/dbraw/zinc/78/70/21/1125787021.db2.gz JWBXMMYZEADWCE-LBPRGKRZSA-N 1 2 336.482 3.647 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000155102236 1125787029 /nfs/dbraw/zinc/78/70/29/1125787029.db2.gz JWBXMMYZEADWCE-LBPRGKRZSA-N 1 2 336.482 3.647 20 0 EHADLO Brc1ncsc1C[NH+]1CCC(c2cccnc2)CC1 ZINC001238032735 1126707088 /nfs/dbraw/zinc/70/70/88/1126707088.db2.gz NHNTWLMVNPPTMY-UHFFFAOYSA-N 1 2 338.274 3.680 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c[nH+]1 ZINC000622667563 1126739023 /nfs/dbraw/zinc/73/90/23/1126739023.db2.gz LNQXWRJWBZXBNN-UHFFFAOYSA-N 1 2 334.423 3.635 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)c[nH+]1 ZINC000622667790 1126744261 /nfs/dbraw/zinc/74/42/61/1126744261.db2.gz SYKYTZPJAQTKOB-UHFFFAOYSA-N 1 2 347.827 3.998 20 0 EHADLO COCC1=CC[N@H+](Cn2ccn(-c3cccc(C)c3)c2=S)CC1 ZINC000185057913 1126747497 /nfs/dbraw/zinc/74/74/97/1126747497.db2.gz XBFMPQCYGCBRRF-UHFFFAOYSA-N 1 2 329.469 3.553 20 0 EHADLO COCC1=CC[N@@H+](Cn2ccn(-c3cccc(C)c3)c2=S)CC1 ZINC000185057913 1126747500 /nfs/dbraw/zinc/74/75/00/1126747500.db2.gz XBFMPQCYGCBRRF-UHFFFAOYSA-N 1 2 329.469 3.553 20 0 EHADLO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000658359647 1130415761 /nfs/dbraw/zinc/41/57/61/1130415761.db2.gz HHALXOPZPVRHIQ-KWBADKCTSA-N 1 2 341.274 3.678 20 0 EHADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185136328 1126773977 /nfs/dbraw/zinc/77/39/77/1126773977.db2.gz OTFNRUVVJZQAKO-ZETCQYMHSA-N 1 2 343.196 3.749 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240288 1126816287 /nfs/dbraw/zinc/81/62/87/1126816287.db2.gz YCCUXHPFWLOUCH-WMLDXEAASA-N 1 2 349.438 3.776 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240288 1126816291 /nfs/dbraw/zinc/81/62/91/1126816291.db2.gz YCCUXHPFWLOUCH-WMLDXEAASA-N 1 2 349.438 3.776 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000173220357 1126827045 /nfs/dbraw/zinc/82/70/45/1126827045.db2.gz GZTSAGWIPJJRQO-RKDXNWHRSA-N 1 2 337.411 3.506 20 0 EHADLO CC(C)CSCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000339209107 1126841367 /nfs/dbraw/zinc/84/13/67/1126841367.db2.gz JXIGJKUBRJEZEZ-UHFFFAOYSA-N 1 2 327.457 3.617 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)o1 ZINC000174478427 1126853227 /nfs/dbraw/zinc/85/32/27/1126853227.db2.gz YVJWVBDZRIYZMH-FZKQIMNGSA-N 1 2 345.439 3.651 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccccc3s2)s1 ZINC000175240578 1126867769 /nfs/dbraw/zinc/86/77/69/1126867769.db2.gz CTVNZOGNGGFLEB-QWRGUYRKSA-N 1 2 346.481 3.739 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1Br ZINC000082336194 1126879197 /nfs/dbraw/zinc/87/91/97/1126879197.db2.gz YCPNIQLVGRKEHM-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000623173677 1126889184 /nfs/dbraw/zinc/88/91/84/1126889184.db2.gz MIESQLVEDXDLLL-ZIAGYGMSSA-N 1 2 325.334 3.644 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1OC(F)F ZINC000623230931 1126899669 /nfs/dbraw/zinc/89/96/69/1126899669.db2.gz BULNDLWGSKRMRC-YVEFUNNKSA-N 1 2 346.377 3.652 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000623233708 1126900378 /nfs/dbraw/zinc/90/03/78/1126900378.db2.gz JHTHZKZVEHDTRG-QUCCMNQESA-N 1 2 348.446 3.736 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000192547064 1126918094 /nfs/dbraw/zinc/91/80/94/1126918094.db2.gz BFSNIMYNOMVVDE-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000192547064 1126918098 /nfs/dbraw/zinc/91/80/98/1126918098.db2.gz BFSNIMYNOMVVDE-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2cc(C)c(Br)cn2)n1 ZINC000623422388 1126951001 /nfs/dbraw/zinc/95/10/01/1126951001.db2.gz UYTJMEHFRXYBSW-UHFFFAOYSA-N 1 2 340.290 3.942 20 0 EHADLO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185605785 1126956904 /nfs/dbraw/zinc/95/69/04/1126956904.db2.gz XPUQOQIRLQSBKT-QWRGUYRKSA-N 1 2 348.256 3.743 20 0 EHADLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000072989294 1126965888 /nfs/dbraw/zinc/96/58/88/1126965888.db2.gz NQZKHQCCGXFFEB-OAHLLOKOSA-N 1 2 342.487 3.660 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000072989294 1126965891 /nfs/dbraw/zinc/96/58/91/1126965891.db2.gz NQZKHQCCGXFFEB-OAHLLOKOSA-N 1 2 342.487 3.660 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1OC1CC1 ZINC000623490312 1126965980 /nfs/dbraw/zinc/96/59/80/1126965980.db2.gz GHRNNMBBFAUROA-OAHLLOKOSA-N 1 2 347.361 3.738 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000177241953 1126979591 /nfs/dbraw/zinc/97/95/91/1126979591.db2.gz NHDNDMVGWQBGKB-NRFANRHFSA-N 1 2 339.435 3.516 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000177241953 1126979594 /nfs/dbraw/zinc/97/95/94/1126979594.db2.gz NHDNDMVGWQBGKB-NRFANRHFSA-N 1 2 339.435 3.516 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)o1 ZINC000623541707 1126981237 /nfs/dbraw/zinc/98/12/37/1126981237.db2.gz VNZSVOMEAYWXNU-UHFFFAOYSA-N 1 2 346.324 3.997 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3[nH]c4ccccc4c3Cl)n2)C1 ZINC000349837774 1127054323 /nfs/dbraw/zinc/05/43/23/1127054323.db2.gz IJPUWSOZMIBSDZ-CYBMUJFWSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3[nH]c4ccccc4c3Cl)n2)C1 ZINC000349837774 1127054325 /nfs/dbraw/zinc/05/43/25/1127054325.db2.gz IJPUWSOZMIBSDZ-CYBMUJFWSA-N 1 2 346.818 3.653 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000349862715 1127055060 /nfs/dbraw/zinc/05/50/60/1127055060.db2.gz XVDUQQKWAZKYGF-AVRDEDQJSA-N 1 2 331.506 3.714 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000349862715 1127055063 /nfs/dbraw/zinc/05/50/63/1127055063.db2.gz XVDUQQKWAZKYGF-AVRDEDQJSA-N 1 2 331.506 3.714 20 0 EHADLO COc1cc(F)c([C@@H](C)Nc2[nH+]c3ccccc3n2C)cc1OC ZINC000179297692 1127055547 /nfs/dbraw/zinc/05/55/47/1127055547.db2.gz MGUZUCMUVBIRPK-LLVKDONJSA-N 1 2 329.375 3.903 20 0 EHADLO Cc1csc(C[N@H+](C)CCOc2ccc(Br)cc2)n1 ZINC000350054243 1127061701 /nfs/dbraw/zinc/06/17/01/1127061701.db2.gz PRNUUIDZWHHHQT-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1csc(C[N@@H+](C)CCOc2ccc(Br)cc2)n1 ZINC000350054243 1127061707 /nfs/dbraw/zinc/06/17/07/1127061707.db2.gz PRNUUIDZWHHHQT-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](CC(C)C)c2ccc(Cl)cc2)n1 ZINC000179719203 1127083250 /nfs/dbraw/zinc/08/32/50/1127083250.db2.gz RBYRUBJPZKIQHM-HNNXBMFYSA-N 1 2 337.851 3.789 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185835142 1127112036 /nfs/dbraw/zinc/11/20/36/1127112036.db2.gz PWQCHONLHRNWND-CSLLIFPHSA-N 1 2 336.426 3.819 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185835142 1127112037 /nfs/dbraw/zinc/11/20/37/1127112037.db2.gz PWQCHONLHRNWND-CSLLIFPHSA-N 1 2 336.426 3.819 20 0 EHADLO CC(C)OC(C)(C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351133781 1127144867 /nfs/dbraw/zinc/14/48/67/1127144867.db2.gz ATYXNEPCSDPTQS-UHFFFAOYSA-N 1 2 326.400 3.642 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc2c(c1)OCCO2 ZINC000180649109 1127178962 /nfs/dbraw/zinc/17/89/62/1127178962.db2.gz SXWGCZWNHAEOFN-HNNXBMFYSA-N 1 2 343.427 3.739 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2cc(Br)ccc2C)s1 ZINC000623957690 1127222237 /nfs/dbraw/zinc/22/22/37/1127222237.db2.gz QRDULTHJDUKTGH-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Clc1ccc(Cc2nnc(NCc3cccc4[nH+]ccn43)o2)cc1 ZINC000181715124 1127291371 /nfs/dbraw/zinc/29/13/71/1127291371.db2.gz OJWHWTSBMWMSHS-UHFFFAOYSA-N 1 2 339.786 3.574 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1 ZINC000181833687 1127298274 /nfs/dbraw/zinc/29/82/74/1127298274.db2.gz OIZUHCKTDLITOW-INIZCTEOSA-N 1 2 343.452 3.568 20 0 EHADLO c1cn(-c2ccc(CNc3nnc(CCc4ccccc4)o3)cc2)c[nH+]1 ZINC000181961465 1127305273 /nfs/dbraw/zinc/30/52/73/1127305273.db2.gz HWNFVBFQQWCYDP-UHFFFAOYSA-N 1 2 345.406 3.653 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCC2 ZINC000182615732 1127339958 /nfs/dbraw/zinc/33/99/58/1127339958.db2.gz RJOVKGUZIJAUOQ-RTBURBONSA-N 1 2 330.472 3.591 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000182878466 1127351933 /nfs/dbraw/zinc/35/19/33/1127351933.db2.gz XACJKBGXJRPDKO-GFCCVEGCSA-N 1 2 335.810 3.884 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182874912 1127351957 /nfs/dbraw/zinc/35/19/57/1127351957.db2.gz WEIOUWNJBFXJDG-MRXNPFEDSA-N 1 2 341.455 3.879 20 0 EHADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000182913652 1127354105 /nfs/dbraw/zinc/35/41/05/1127354105.db2.gz YOOMRDHKDCXTGK-AWEZNQCLSA-N 1 2 348.385 3.765 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1nccs1 ZINC000184427580 1127404901 /nfs/dbraw/zinc/40/49/01/1127404901.db2.gz UZIKGSXESFSNIQ-STQMWFEESA-N 1 2 343.452 3.760 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184488092 1127406552 /nfs/dbraw/zinc/40/65/52/1127406552.db2.gz DDZCDBBYPHIGKS-UONOGXRCSA-N 1 2 337.533 3.882 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(CC)cc2)o1 ZINC000184773338 1127413123 /nfs/dbraw/zinc/41/31/23/1127413123.db2.gz YLLGOLZMHDUWEE-KBXCAEBGSA-N 1 2 344.455 3.709 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)cc(C)c2)o1 ZINC000184837618 1127414247 /nfs/dbraw/zinc/41/42/47/1127414247.db2.gz ASOQXKLGKLBSQU-YJBOKZPZSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1c(-c2cc(CSCc3ccc(C)[nH+]c3C)on2)cnn1C ZINC000184840159 1127414264 /nfs/dbraw/zinc/41/42/64/1127414264.db2.gz LSRVUBAIOKNYMW-UHFFFAOYSA-N 1 2 328.441 3.829 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)cc(C)c2)o1 ZINC000184837600 1127414567 /nfs/dbraw/zinc/41/45/67/1127414567.db2.gz ASOQXKLGKLBSQU-MAUKXSAKSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)s1 ZINC000184974651 1127417371 /nfs/dbraw/zinc/41/73/71/1127417371.db2.gz WQADPWKMBBRGFT-RHSMWYFYSA-N 1 2 331.485 3.616 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000185074608 1127419964 /nfs/dbraw/zinc/41/99/64/1127419964.db2.gz PSGWAPTXYUVPFG-LBPRGKRZSA-N 1 2 343.374 3.841 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)C)cc1)c1nccs1 ZINC000185084097 1127420155 /nfs/dbraw/zinc/42/01/55/1127420155.db2.gz YFZUNEOUVXHMAW-QGZVFWFLSA-N 1 2 345.512 3.666 20 0 EHADLO Cc1ccc(Cn2nnc(Cc3ccc(Cl)c(Cl)c3)n2)c(C)[nH+]1 ZINC000185379291 1127425965 /nfs/dbraw/zinc/42/59/65/1127425965.db2.gz ZSHPFTQGUBXJOX-UHFFFAOYSA-N 1 2 348.237 3.631 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCCCCC(C)=O)c1C ZINC000764046785 1127435818 /nfs/dbraw/zinc/43/58/18/1127435818.db2.gz YCYBPTPXSRCLLN-UHFFFAOYSA-N 1 2 334.460 3.595 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C(C)(C)C ZINC000764878980 1127547579 /nfs/dbraw/zinc/54/75/79/1127547579.db2.gz LJBLSUYZTUELQZ-CQSZACIVSA-N 1 2 348.516 3.854 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C(C)(C)C ZINC000764878980 1127547583 /nfs/dbraw/zinc/54/75/83/1127547583.db2.gz LJBLSUYZTUELQZ-CQSZACIVSA-N 1 2 348.516 3.854 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)CC1 ZINC000764947771 1127556535 /nfs/dbraw/zinc/55/65/35/1127556535.db2.gz WXOQEEAZXYKJNP-HNNXBMFYSA-N 1 2 346.500 3.610 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)CC1 ZINC000764947771 1127556537 /nfs/dbraw/zinc/55/65/37/1127556537.db2.gz WXOQEEAZXYKJNP-HNNXBMFYSA-N 1 2 346.500 3.610 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765047879 1127569409 /nfs/dbraw/zinc/56/94/09/1127569409.db2.gz DMGPWSUPANWGCD-GASCZTMLSA-N 1 2 330.501 3.955 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765047879 1127569410 /nfs/dbraw/zinc/56/94/10/1127569410.db2.gz DMGPWSUPANWGCD-GASCZTMLSA-N 1 2 330.501 3.955 20 0 EHADLO Clc1ccc2nc(C[NH2+]Cc3nccc4c3CCCC4)cn2c1 ZINC000921521336 1127622066 /nfs/dbraw/zinc/62/20/66/1127622066.db2.gz XNTMUFXWFFWPAN-UHFFFAOYSA-N 1 2 326.831 3.551 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1nc2ccccc2[nH]1 ZINC000921528443 1127671424 /nfs/dbraw/zinc/67/14/24/1127671424.db2.gz TZPJYXPAPHTUFO-AWEZNQCLSA-N 1 2 348.248 3.535 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)c1ccccc1F ZINC000765593801 1127693681 /nfs/dbraw/zinc/69/36/81/1127693681.db2.gz PXBBXSLFVYPKLM-UHFFFAOYSA-N 1 2 331.297 3.742 20 0 EHADLO CN(Cc1ccccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049617 1127701972 /nfs/dbraw/zinc/70/19/72/1127701972.db2.gz NEWMBXNTKKSNPV-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227535 1127778372 /nfs/dbraw/zinc/77/83/72/1127778372.db2.gz NPNHYUQCEKHEPD-ZDUSSCGKSA-N 1 2 337.379 3.658 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227535 1127778374 /nfs/dbraw/zinc/77/83/74/1127778374.db2.gz NPNHYUQCEKHEPD-ZDUSSCGKSA-N 1 2 337.379 3.658 20 0 EHADLO COC(=O)c1cccc(C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000027404201 1127780100 /nfs/dbraw/zinc/78/01/00/1127780100.db2.gz VCYCQKHFIVBQEB-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000027404201 1127780101 /nfs/dbraw/zinc/78/01/01/1127780101.db2.gz VCYCQKHFIVBQEB-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)n[nH]2)cc1 ZINC000029277839 1127797831 /nfs/dbraw/zinc/79/78/31/1127797831.db2.gz ZOXWGIHPZKLFKE-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)cc1 ZINC000029332404 1127798710 /nfs/dbraw/zinc/79/87/10/1127798710.db2.gz ANPQEFHUVIYPHW-UHFFFAOYSA-N 1 2 330.819 3.657 20 0 EHADLO O=C(CCC1CCCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029668410 1127805474 /nfs/dbraw/zinc/80/54/74/1127805474.db2.gz SIDIDPPCPVOTDP-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1Br ZINC000921618947 1127806936 /nfs/dbraw/zinc/80/69/36/1127806936.db2.gz BPUZCWQDWBQSFK-UHFFFAOYSA-N 1 2 328.641 3.678 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000029951372 1127811901 /nfs/dbraw/zinc/81/19/01/1127811901.db2.gz UOHQRHYYVJPWHR-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1ccccc1SCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029271 1127813715 /nfs/dbraw/zinc/81/37/15/1127813715.db2.gz GTTCMSVMLGFRRR-GOSISDBHSA-N 1 2 340.492 3.602 20 0 EHADLO Cc1ccccc1SCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029271 1127813716 /nfs/dbraw/zinc/81/37/16/1127813716.db2.gz GTTCMSVMLGFRRR-GOSISDBHSA-N 1 2 340.492 3.602 20 0 EHADLO Cc1cc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000042132309 1127886679 /nfs/dbraw/zinc/88/66/79/1127886679.db2.gz IQASPZWIQVNXKV-QGZVFWFLSA-N 1 2 349.434 3.584 20 0 EHADLO Cc1cc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000042132309 1127886684 /nfs/dbraw/zinc/88/66/84/1127886684.db2.gz IQASPZWIQVNXKV-QGZVFWFLSA-N 1 2 349.434 3.584 20 0 EHADLO CC[N@H+](CC(=O)NCCc1cccs1)Cc1ccccc1Cl ZINC000042157227 1127886956 /nfs/dbraw/zinc/88/69/56/1127886956.db2.gz BMJJQZLZCVKKKT-UHFFFAOYSA-N 1 2 336.888 3.582 20 0 EHADLO CC[N@@H+](CC(=O)NCCc1cccs1)Cc1ccccc1Cl ZINC000042157227 1127886958 /nfs/dbraw/zinc/88/69/58/1127886958.db2.gz BMJJQZLZCVKKKT-UHFFFAOYSA-N 1 2 336.888 3.582 20 0 EHADLO CO[C@@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000042739656 1127899523 /nfs/dbraw/zinc/89/95/23/1127899523.db2.gz AYOVDNZZZHHXLQ-SFHVURJKSA-N 1 2 345.406 3.615 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000281816565 1127902675 /nfs/dbraw/zinc/90/26/75/1127902675.db2.gz KYEQKBJACLSARZ-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000281816565 1127902679 /nfs/dbraw/zinc/90/26/79/1127902679.db2.gz KYEQKBJACLSARZ-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000043173740 1127913855 /nfs/dbraw/zinc/91/38/55/1127913855.db2.gz AMLPHDXMANXLRK-UHFFFAOYSA-N 1 2 336.395 3.887 20 0 EHADLO Cc1ccc(SCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000043523453 1127922118 /nfs/dbraw/zinc/92/21/18/1127922118.db2.gz ZYUABZWAGHJCAG-UHFFFAOYSA-N 1 2 337.448 3.703 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC001626057541 1127933271 /nfs/dbraw/zinc/93/32/71/1127933271.db2.gz GJXLNBPFGTUIQH-GOSISDBHSA-N 1 2 343.789 3.651 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000045065448 1127945743 /nfs/dbraw/zinc/94/57/43/1127945743.db2.gz YWNSJVKOEXSXAS-FQEVSTJZSA-N 1 2 347.418 3.858 20 0 EHADLO O=C(NC1(c2ccccc2)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045646838 1127956309 /nfs/dbraw/zinc/95/63/09/1127956309.db2.gz RTWPIEVNXIXTRU-UHFFFAOYSA-N 1 2 331.419 3.741 20 0 EHADLO Cc1nc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2s1 ZINC001212358675 1127962205 /nfs/dbraw/zinc/96/22/05/1127962205.db2.gz XXIGKPZFLXHENR-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000045734996 1127958008 /nfs/dbraw/zinc/95/80/08/1127958008.db2.gz UVZGIZFKTMDNRM-UHFFFAOYSA-N 1 2 348.830 3.770 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000045753464 1127959520 /nfs/dbraw/zinc/95/95/20/1127959520.db2.gz AMSFZMXSCLUZKX-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000045753464 1127959524 /nfs/dbraw/zinc/95/95/24/1127959524.db2.gz AMSFZMXSCLUZKX-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO CC(C)Oc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045993307 1127966791 /nfs/dbraw/zinc/96/67/91/1127966791.db2.gz YCRIWWKEVRFBCK-UHFFFAOYSA-N 1 2 335.407 3.971 20 0 EHADLO Cc1ccc(Br)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212359889 1127979546 /nfs/dbraw/zinc/97/95/46/1127979546.db2.gz AJGQMOMUXGSHTC-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000046581637 1127982516 /nfs/dbraw/zinc/98/25/16/1127982516.db2.gz MOVUTIUZKNSMIL-UHFFFAOYSA-N 1 2 335.407 3.694 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000046581637 1127982519 /nfs/dbraw/zinc/98/25/19/1127982519.db2.gz MOVUTIUZKNSMIL-UHFFFAOYSA-N 1 2 335.407 3.694 20 0 EHADLO O=C(CCCc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000047064546 1128000054 /nfs/dbraw/zinc/00/00/54/1128000054.db2.gz KGQGIJHIQMHMEJ-UHFFFAOYSA-N 1 2 333.435 3.571 20 0 EHADLO CCCCOc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c(Cl)c1 ZINC000802230309 1128006527 /nfs/dbraw/zinc/00/65/27/1128006527.db2.gz CGUBLHPNNFPRKZ-AWEZNQCLSA-N 1 2 343.826 3.720 20 0 EHADLO CCCCOc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c(Cl)c1 ZINC000802230309 1128006532 /nfs/dbraw/zinc/00/65/32/1128006532.db2.gz CGUBLHPNNFPRKZ-AWEZNQCLSA-N 1 2 343.826 3.720 20 0 EHADLO O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047250473 1128004100 /nfs/dbraw/zinc/00/41/00/1128004100.db2.gz JEZVTLUEJGZMKB-FQEVSTJZSA-N 1 2 345.446 3.781 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3csc(C)c3)CC2)c1 ZINC000671700395 1128007945 /nfs/dbraw/zinc/00/79/45/1128007945.db2.gz QZNWGEPVBKHKLG-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)cc1 ZINC000056601861 1128024029 /nfs/dbraw/zinc/02/40/29/1128024029.db2.gz KTUWICDGUHEGEO-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO Clc1ccnc2c(Nc3ccc[nH+]c3N3CCOCC3)cccc12 ZINC001212364295 1128029330 /nfs/dbraw/zinc/02/93/30/1128029330.db2.gz COVVHOPNGQHYHF-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894324 1128031305 /nfs/dbraw/zinc/03/13/05/1128031305.db2.gz CYKNKPCEVLVNEF-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO Clc1cnc2cccc(Nc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC001212364602 1128031880 /nfs/dbraw/zinc/03/18/80/1128031880.db2.gz MWIXJWOPBRCZQZ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057378267 1128045697 /nfs/dbraw/zinc/04/56/97/1128045697.db2.gz FKXXWJRVKRJZBO-UHFFFAOYSA-N 1 2 340.880 3.610 20 0 EHADLO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc2n[nH]cc21 ZINC000347532444 1128048134 /nfs/dbraw/zinc/04/81/34/1128048134.db2.gz XITOHVNSRCCOIG-QGZVFWFLSA-N 1 2 342.830 3.766 20 0 EHADLO CCOc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058632035 1128074915 /nfs/dbraw/zinc/07/49/15/1128074915.db2.gz WILYKJLXZQSURE-UHFFFAOYSA-N 1 2 343.427 3.770 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sc(C(C)C)nc2C)c1C ZINC000058958802 1128086195 /nfs/dbraw/zinc/08/61/95/1128086195.db2.gz REIFAXMILSJYAU-UHFFFAOYSA-N 1 2 347.484 3.868 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2ccc(F)cc2)c1C ZINC000058958514 1128086420 /nfs/dbraw/zinc/08/64/20/1128086420.db2.gz XITXUBBHHDLUJT-UHFFFAOYSA-N 1 2 348.443 3.597 20 0 EHADLO O=C(CCc1ccc(Cl)cc1Cl)NCCCCn1cc[nH+]c1 ZINC000060408039 1128101197 /nfs/dbraw/zinc/10/11/97/1128101197.db2.gz HMVUEQHNLHYWRF-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)sc1C ZINC000060450282 1128102261 /nfs/dbraw/zinc/10/22/61/1128102261.db2.gz UZBSJUIRYJWMFP-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO CCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000108352075 1128130816 /nfs/dbraw/zinc/13/08/16/1128130816.db2.gz SIKNQUCYVFILHO-SFHVURJKSA-N 1 2 334.822 3.603 20 0 EHADLO Cc1nc(CN2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)cs1 ZINC000347608781 1128136242 /nfs/dbraw/zinc/13/62/42/1128136242.db2.gz JXTFWHXFUYEUQF-NSCUHMNNSA-N 1 2 349.450 3.561 20 0 EHADLO CC[N@H+](Cc1cc(C)no1)Cc1cc(Br)ccc1F ZINC000063751643 1128154569 /nfs/dbraw/zinc/15/45/69/1128154569.db2.gz DRGPECCJAOECEI-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1cc(C)no1)Cc1cc(Br)ccc1F ZINC000063751643 1128154572 /nfs/dbraw/zinc/15/45/72/1128154572.db2.gz DRGPECCJAOECEI-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000064429987 1128168302 /nfs/dbraw/zinc/16/83/02/1128168302.db2.gz HUOANGHRWRJNJU-UHFFFAOYSA-N 1 2 334.851 3.547 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000064547181 1128170721 /nfs/dbraw/zinc/17/07/21/1128170721.db2.gz UIDUCPVDRPTXGU-OAHLLOKOSA-N 1 2 330.432 3.518 20 0 EHADLO Cc1scc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1C ZINC000399827901 1128172112 /nfs/dbraw/zinc/17/21/12/1128172112.db2.gz MACFDVPEFROBBF-UHFFFAOYSA-N 1 2 343.901 3.712 20 0 EHADLO CCN(C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000065427996 1128189223 /nfs/dbraw/zinc/18/92/23/1128189223.db2.gz UILPQJQFXOZCEV-MRXNPFEDSA-N 1 2 340.467 3.692 20 0 EHADLO CCN(C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000065427996 1128189225 /nfs/dbraw/zinc/18/92/25/1128189225.db2.gz UILPQJQFXOZCEV-MRXNPFEDSA-N 1 2 340.467 3.692 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)oc1C ZINC000066420557 1128217311 /nfs/dbraw/zinc/21/73/11/1128217311.db2.gz UDUHPNNWVCPJMU-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO CC(C)(CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000067053043 1128232385 /nfs/dbraw/zinc/23/23/85/1128232385.db2.gz CRCCFVGAPZCSLG-UHFFFAOYSA-N 1 2 337.467 3.535 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401052 1128240526 /nfs/dbraw/zinc/24/05/26/1128240526.db2.gz WOPQPMFZOFLDTI-PXAZEXFGSA-N 1 2 349.862 3.792 20 0 EHADLO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@H+](Cc1ccno1)C2 ZINC000068860329 1128277310 /nfs/dbraw/zinc/27/73/10/1128277310.db2.gz DGJGECJAZTUWQY-UHFFFAOYSA-N 1 2 348.406 3.877 20 0 EHADLO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](Cc1ccno1)C2 ZINC000068860329 1128277314 /nfs/dbraw/zinc/27/73/14/1128277314.db2.gz DGJGECJAZTUWQY-UHFFFAOYSA-N 1 2 348.406 3.877 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069364106 1128286462 /nfs/dbraw/zinc/28/64/62/1128286462.db2.gz NJTZYLOPKHLQSP-NVXWUHKLSA-N 1 2 332.492 3.624 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000069931490 1128293835 /nfs/dbraw/zinc/29/38/35/1128293835.db2.gz MYQLHBAGIPRGAI-GOSISDBHSA-N 1 2 328.460 3.668 20 0 EHADLO Cc1sc(NC(=O)CCn2cc[nH+]c2)nc1-c1ccc(C)cc1 ZINC000072622444 1128303460 /nfs/dbraw/zinc/30/34/60/1128303460.db2.gz PZXGBCUKSBJACG-UHFFFAOYSA-N 1 2 326.425 3.652 20 0 EHADLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000072723992 1128304860 /nfs/dbraw/zinc/30/48/60/1128304860.db2.gz FJJZIYWHHKYFPP-NSHDSACASA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)(C)c1cccc(OCC[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000072958034 1128311643 /nfs/dbraw/zinc/31/16/43/1128311643.db2.gz QBOFSCSGBSZQDF-UHFFFAOYSA-N 1 2 344.421 3.543 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000073009429 1128313045 /nfs/dbraw/zinc/31/30/45/1128313045.db2.gz KYKNSXYUZUUANX-MRXNPFEDSA-N 1 2 335.407 3.916 20 0 EHADLO CCCCc1nc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cs1 ZINC000073529538 1128324727 /nfs/dbraw/zinc/32/47/27/1128324727.db2.gz JPIDKXJAERFRBS-ZDUSSCGKSA-N 1 2 344.484 3.676 20 0 EHADLO CC[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000073862460 1128330435 /nfs/dbraw/zinc/33/04/35/1128330435.db2.gz HMLZRRSPZSZEFW-SFHVURJKSA-N 1 2 333.435 3.855 20 0 EHADLO CC(C)O[C@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C1(C)C ZINC000765810525 1128422885 /nfs/dbraw/zinc/42/28/85/1128422885.db2.gz NDKHSUZLAIOGSW-OALUTQOASA-N 1 2 343.471 3.966 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)C1(C)C ZINC000765811371 1128427310 /nfs/dbraw/zinc/42/73/10/1128427310.db2.gz QNAJIQPNGUDLIS-ZYSHUDEJSA-N 1 2 332.488 3.916 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOC[C@H]3C)cc2)C1(C)C ZINC000765811362 1128427552 /nfs/dbraw/zinc/42/75/52/1128427552.db2.gz QNAJIQPNGUDLIS-ATZDWAIDSA-N 1 2 332.488 3.916 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@H](C)Cc4c[nH]nc43)cc2)[nH+]c1C ZINC000921655382 1128437524 /nfs/dbraw/zinc/43/75/24/1128437524.db2.gz ROVOZIDPHWYTOH-GTNSWQLSSA-N 1 2 349.438 3.721 20 0 EHADLO CCc1nnc(C)cc1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921659350 1128439238 /nfs/dbraw/zinc/43/92/38/1128439238.db2.gz GAPYNRATNOTUKH-UHFFFAOYSA-N 1 2 335.411 3.607 20 0 EHADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347629575 1128456294 /nfs/dbraw/zinc/45/62/94/1128456294.db2.gz CABRPPMOZKFMGX-OLZOCXBDSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347629575 1128456296 /nfs/dbraw/zinc/45/62/96/1128456296.db2.gz CABRPPMOZKFMGX-OLZOCXBDSA-N 1 2 339.361 3.500 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3Cl)o2)ccn1 ZINC000347632068 1128462113 /nfs/dbraw/zinc/46/21/13/1128462113.db2.gz BHRSLWJPGZOTFL-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000655146499 1128464923 /nfs/dbraw/zinc/46/49/23/1128464923.db2.gz MJDWBNBYWVKRMS-LAQRGFTBSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000655146499 1128464927 /nfs/dbraw/zinc/46/49/27/1128464927.db2.gz MJDWBNBYWVKRMS-LAQRGFTBSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000655156518 1128470524 /nfs/dbraw/zinc/47/05/24/1128470524.db2.gz HMFKPFOGEKJQSI-KRWDZBQOSA-N 1 2 327.472 3.890 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC000655156518 1128470525 /nfs/dbraw/zinc/47/05/25/1128470525.db2.gz HMFKPFOGEKJQSI-KRWDZBQOSA-N 1 2 327.472 3.890 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000655799635 1128486134 /nfs/dbraw/zinc/48/61/34/1128486134.db2.gz KXIAXTMEIHEOJL-GXFFZTMASA-N 1 2 340.349 3.526 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)ccn1 ZINC000347641902 1128504210 /nfs/dbraw/zinc/50/42/10/1128504210.db2.gz CIXFPRSUVKMWJF-LLVKDONJSA-N 1 2 329.425 3.966 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000369291747 1128521399 /nfs/dbraw/zinc/52/13/99/1128521399.db2.gz BEABIUVCOSWZLU-VQIMIIECSA-N 1 2 339.483 3.882 20 0 EHADLO CCn1c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)nc2ccccc21 ZINC000921690280 1128537224 /nfs/dbraw/zinc/53/72/24/1128537224.db2.gz PVAWGXGZCZRDKU-UHFFFAOYSA-N 1 2 329.835 3.600 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)ccn1 ZINC000347658566 1128541096 /nfs/dbraw/zinc/54/10/96/1128541096.db2.gz WCGPSEQPDOCJRI-AWEZNQCLSA-N 1 2 339.464 3.988 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1SCC(F)(F)F ZINC000624735963 1128542977 /nfs/dbraw/zinc/54/29/77/1128542977.db2.gz AXCLQUGQKVNBKS-UHFFFAOYSA-N 1 2 329.347 3.566 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c(OC)c1 ZINC000542708602 1128550000 /nfs/dbraw/zinc/55/00/00/1128550000.db2.gz HDZMVMGFEKXPHE-FQEVSTJZSA-N 1 2 341.451 3.537 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c(OC)c1 ZINC000542708602 1128550004 /nfs/dbraw/zinc/55/00/04/1128550004.db2.gz HDZMVMGFEKXPHE-FQEVSTJZSA-N 1 2 341.451 3.537 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CC[C@@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639550 1128554881 /nfs/dbraw/zinc/55/48/81/1128554881.db2.gz ZXXSCYOAXCMEGC-ZOBUZTSGSA-N 1 2 343.389 3.842 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CC[C@@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639550 1128554883 /nfs/dbraw/zinc/55/48/83/1128554883.db2.gz ZXXSCYOAXCMEGC-ZOBUZTSGSA-N 1 2 343.389 3.842 20 0 EHADLO CC(F)(F)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000655968462 1128557372 /nfs/dbraw/zinc/55/73/72/1128557372.db2.gz SBVOLQAUFBSRER-MRXNPFEDSA-N 1 2 348.397 3.542 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000056629225 1128571035 /nfs/dbraw/zinc/57/10/35/1128571035.db2.gz WZKKIXAYFWEPMR-IRXDYDNUSA-N 1 2 347.503 3.806 20 0 EHADLO CN(Cc1ccc2ccccc2c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057375158 1128634305 /nfs/dbraw/zinc/63/43/05/1128634305.db2.gz PAJDXJGNQGUPMC-UHFFFAOYSA-N 1 2 336.439 3.658 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153772998 1128677988 /nfs/dbraw/zinc/67/79/88/1128677988.db2.gz XNLREYGACNYRPM-NSHDSACASA-N 1 2 331.803 3.657 20 0 EHADLO Cc1cccc([C@@H](NC(=O)Nc2cc(C)[nH+]cc2C)C(F)(F)F)c1 ZINC000542837278 1128679188 /nfs/dbraw/zinc/67/91/88/1128679188.db2.gz JPATUNNTXZPHGD-OAHLLOKOSA-N 1 2 337.345 3.854 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000354125109 1128703707 /nfs/dbraw/zinc/70/37/07/1128703707.db2.gz QMQXAOVDASBSCY-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000354125109 1128703708 /nfs/dbraw/zinc/70/37/08/1128703708.db2.gz QMQXAOVDASBSCY-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO Cc1cccc([C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C(C)C)c1 ZINC000624797141 1128756630 /nfs/dbraw/zinc/75/66/30/1128756630.db2.gz FOLSUKRGFPMMQQ-LJQANCHMSA-N 1 2 336.439 3.839 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(CCSc2ccncc2)CC1 ZINC000929244416 1128767205 /nfs/dbraw/zinc/76/72/05/1128767205.db2.gz VQAZKAWALZABJF-QPJJXVBHSA-N 1 2 339.508 3.505 20 0 EHADLO O=C(Nc1cccc(Br)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000338726155 1128767410 /nfs/dbraw/zinc/76/74/10/1128767410.db2.gz ZKJSYAGQRPJIPM-MRXNPFEDSA-N 1 2 345.240 3.662 20 0 EHADLO O=C(Nc1cccc(Br)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000338726155 1128767412 /nfs/dbraw/zinc/76/74/12/1128767412.db2.gz ZKJSYAGQRPJIPM-MRXNPFEDSA-N 1 2 345.240 3.662 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921806113 1128777610 /nfs/dbraw/zinc/77/76/10/1128777610.db2.gz CVBBOIFJNIUYMW-UHFFFAOYSA-N 1 2 325.334 3.638 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000672140950 1128792591 /nfs/dbraw/zinc/79/25/91/1128792591.db2.gz RLHIXQCDJDNEQK-FUHWJXTLSA-N 1 2 341.455 3.672 20 0 EHADLO Clc1cc(CNc2cc3cc[nH]c3c[nH+]2)cc2c1OCCCO2 ZINC000672144224 1128798111 /nfs/dbraw/zinc/79/81/11/1128798111.db2.gz KCTKSQFCOVFRAY-UHFFFAOYSA-N 1 2 329.787 3.990 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(F)(F)F)[C@H](C)C(C)C)[nH+]c12 ZINC000074582437 1128815917 /nfs/dbraw/zinc/81/59/17/1128815917.db2.gz OSZHZVMHGTUNRJ-CYBMUJFWSA-N 1 2 341.377 3.621 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1sc2cc(F)ccc2c1Cl ZINC000672156030 1128818898 /nfs/dbraw/zinc/81/88/98/1128818898.db2.gz IUFJAFLSVDNDNH-JTQLQIEISA-N 1 2 349.818 3.635 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)Cc3cnn(C)c3)s2)cc1C ZINC000656247710 1128832716 /nfs/dbraw/zinc/83/27/16/1128832716.db2.gz BZNOHQDOAKIBTE-UHFFFAOYSA-N 1 2 326.469 3.792 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)Cc3cnn(C)c3)s2)cc1C ZINC000656247710 1128832719 /nfs/dbraw/zinc/83/27/19/1128832719.db2.gz BZNOHQDOAKIBTE-UHFFFAOYSA-N 1 2 326.469 3.792 20 0 EHADLO Cc1ccnc(NC(=O)CN(C)c2cc[nH+]c3c(Cl)cccc23)c1 ZINC000672203243 1128845639 /nfs/dbraw/zinc/84/56/39/1128845639.db2.gz SPMZNZFYQIUYOA-UHFFFAOYSA-N 1 2 340.814 3.667 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000007926899 1128893206 /nfs/dbraw/zinc/89/32/06/1128893206.db2.gz NSAYQUOCOWPONX-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)nc1 ZINC001670648178 1120095162 /nfs/dbraw/zinc/09/51/62/1120095162.db2.gz CVAVTKUNMILVOE-QGZVFWFLSA-N 1 2 340.427 3.779 20 0 EHADLO CCc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000109813609 1120126086 /nfs/dbraw/zinc/12/60/86/1120126086.db2.gz VGLVGJDVGLLJSY-AWEZNQCLSA-N 1 2 335.407 3.631 20 0 EHADLO O=C(Nc1cccc(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110038467 1120132391 /nfs/dbraw/zinc/13/23/91/1120132391.db2.gz PFLNADOFQKNTLQ-QGZVFWFLSA-N 1 2 329.831 3.728 20 0 EHADLO O=C(Nc1cccc(Cl)c1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110038467 1120132394 /nfs/dbraw/zinc/13/23/94/1120132394.db2.gz PFLNADOFQKNTLQ-QGZVFWFLSA-N 1 2 329.831 3.728 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000007926899 1128893204 /nfs/dbraw/zinc/89/32/04/1128893204.db2.gz NSAYQUOCOWPONX-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687360883 1120176164 /nfs/dbraw/zinc/17/61/64/1120176164.db2.gz LMHTWCDYDYITIJ-LKUPVBHCSA-N 1 2 349.478 3.761 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687360883 1120176166 /nfs/dbraw/zinc/17/61/66/1120176166.db2.gz LMHTWCDYDYITIJ-LKUPVBHCSA-N 1 2 349.478 3.761 20 0 EHADLO CCc1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCCc1cccc(C)[nH+]1 ZINC001709060232 1120178229 /nfs/dbraw/zinc/17/82/29/1120178229.db2.gz QXTUJSQYTFDQJR-QAPCUYQASA-N 1 2 341.503 3.802 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000481846592 1120348211 /nfs/dbraw/zinc/34/82/11/1120348211.db2.gz XVJPDSYNHSPFME-IBGZPJMESA-N 1 2 338.451 3.602 20 0 EHADLO COCCOc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c(Cl)c1 ZINC000184952342 1120393953 /nfs/dbraw/zinc/39/39/53/1120393953.db2.gz RDHVQWXHTBKWJI-UHFFFAOYSA-N 1 2 348.830 3.938 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ccccc2s1)c1nnc2ccccn21 ZINC000347673981 1128918234 /nfs/dbraw/zinc/91/82/34/1128918234.db2.gz MSNBJUJSCHNYIQ-KRWDZBQOSA-N 1 2 337.452 3.826 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000186993146 1120482585 /nfs/dbraw/zinc/48/25/85/1120482585.db2.gz VYXYSJRQOCKZJG-ZIAGYGMSSA-N 1 2 341.904 3.756 20 0 EHADLO COCCCOc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921921734 1128920215 /nfs/dbraw/zinc/92/02/15/1128920215.db2.gz KEMUQLFVNKGRBE-UHFFFAOYSA-N 1 2 332.444 3.677 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494286185 1120526362 /nfs/dbraw/zinc/52/63/62/1120526362.db2.gz XKMSBPHNQOZLEG-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494286185 1120526365 /nfs/dbraw/zinc/52/63/65/1120526365.db2.gz XKMSBPHNQOZLEG-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190286572 1120632359 /nfs/dbraw/zinc/63/23/59/1120632359.db2.gz LDKZJNQXOXFKMA-IBGZPJMESA-N 1 2 342.393 3.826 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190286572 1120632361 /nfs/dbraw/zinc/63/23/61/1120632361.db2.gz LDKZJNQXOXFKMA-IBGZPJMESA-N 1 2 342.393 3.826 20 0 EHADLO Cc1cc(CNC(=O)C[C@H]2OCc3cc(Cl)ccc32)cc(C)[nH+]1 ZINC000653885040 1120734392 /nfs/dbraw/zinc/73/43/92/1120734392.db2.gz IMMRSTMYISITEF-QGZVFWFLSA-N 1 2 330.815 3.630 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)c3ccccc3n2)c1C ZINC000195003253 1120760050 /nfs/dbraw/zinc/76/00/50/1120760050.db2.gz RGNCWDVXRKRTOO-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc(C)ncn2)c2ccc(F)cc2)cc1 ZINC000494746147 1120761764 /nfs/dbraw/zinc/76/17/64/1120761764.db2.gz LHIXZQLLLYAONC-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3cccc4[nH]ccc43)ccc2[nH+]1 ZINC000494750078 1120764196 /nfs/dbraw/zinc/76/41/96/1120764196.db2.gz ARJOGDOPUZAQAG-UHFFFAOYSA-N 1 2 333.395 3.788 20 0 EHADLO O=C(COc1ccc(F)cc1Cl)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195150779 1120768280 /nfs/dbraw/zinc/76/82/80/1120768280.db2.gz IOCBQPIKQGVVTO-UHFFFAOYSA-N 1 2 345.761 3.887 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2[nH]nnc2c1 ZINC000193456763 1120777613 /nfs/dbraw/zinc/77/76/13/1120777613.db2.gz XQYTTYDKHNBIIP-UHFFFAOYSA-N 1 2 349.438 3.586 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)CC2CC2)cs1)c1ccccc1F ZINC000193942562 1120809498 /nfs/dbraw/zinc/80/94/98/1120809498.db2.gz NCTAWGQHRLIPRM-UHFFFAOYSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)CC2CC2)cs1)c1ccccc1F ZINC000193942562 1120809501 /nfs/dbraw/zinc/80/95/01/1120809501.db2.gz NCTAWGQHRLIPRM-UHFFFAOYSA-N 1 2 333.432 3.809 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000195732348 1120814085 /nfs/dbraw/zinc/81/40/85/1120814085.db2.gz ARPIHNJOYSYECB-NSHDSACASA-N 1 2 328.250 3.784 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000195732348 1120814086 /nfs/dbraw/zinc/81/40/86/1120814086.db2.gz ARPIHNJOYSYECB-NSHDSACASA-N 1 2 328.250 3.784 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000194417130 1120842516 /nfs/dbraw/zinc/84/25/16/1120842516.db2.gz ZQASGBVZGMIXLW-HSZRJFAPSA-N 1 2 346.477 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000194417130 1120842521 /nfs/dbraw/zinc/84/25/21/1120842521.db2.gz ZQASGBVZGMIXLW-HSZRJFAPSA-N 1 2 346.477 3.773 20 0 EHADLO CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000194426799 1120843273 /nfs/dbraw/zinc/84/32/73/1120843273.db2.gz OQGQRHQTITYEMC-HNNXBMFYSA-N 1 2 326.396 3.615 20 0 EHADLO Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3O)CC2)[nH+]c1 ZINC000153490577 1120854674 /nfs/dbraw/zinc/85/46/74/1120854674.db2.gz QGXDYFRHIROLGA-UHFFFAOYSA-N 1 2 345.830 3.604 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000914572865 1120901052 /nfs/dbraw/zinc/90/10/52/1120901052.db2.gz JLMTWJZLZYRIHL-YPMHNXCESA-N 1 2 329.469 3.706 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000914572865 1120901055 /nfs/dbraw/zinc/90/10/55/1120901055.db2.gz JLMTWJZLZYRIHL-YPMHNXCESA-N 1 2 329.469 3.706 20 0 EHADLO CC(C)(C)c1ccc(/C=C\C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001127309977 1120901858 /nfs/dbraw/zinc/90/18/58/1120901858.db2.gz LIXJFLINQTXXTQ-ADYPVZHUSA-N 1 2 349.478 3.787 20 0 EHADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837663 1120908711 /nfs/dbraw/zinc/90/87/11/1120908711.db2.gz OOMYKXWRPYRJHZ-DGCLKSJQSA-N 1 2 338.238 3.998 20 0 EHADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837663 1120908714 /nfs/dbraw/zinc/90/87/14/1120908714.db2.gz OOMYKXWRPYRJHZ-DGCLKSJQSA-N 1 2 338.238 3.998 20 0 EHADLO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)s1 ZINC000542530452 1120925370 /nfs/dbraw/zinc/92/53/70/1120925370.db2.gz FBLWWNYAUMAUQL-NHYWBVRUSA-N 1 2 340.452 3.640 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCO1 ZINC000494977543 1120925837 /nfs/dbraw/zinc/92/58/37/1120925837.db2.gz SGYSOSXDXXYAEO-OKZBNKHCSA-N 1 2 334.508 4.000 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000494995217 1120928111 /nfs/dbraw/zinc/92/81/11/1120928111.db2.gz LMYJYXDJXKEOAJ-PREGVCBESA-N 1 2 334.508 4.000 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153287429 1120936575 /nfs/dbraw/zinc/93/65/75/1120936575.db2.gz GOSYKHLHNHWAPM-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153287429 1120936577 /nfs/dbraw/zinc/93/65/77/1120936577.db2.gz GOSYKHLHNHWAPM-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CCOc1c(Cl)cccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000495065239 1120942340 /nfs/dbraw/zinc/94/23/40/1120942340.db2.gz ZWUXCZFCFCOGIZ-UHFFFAOYSA-N 1 2 334.847 3.650 20 0 EHADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2CC)cc1F ZINC000495061489 1120943821 /nfs/dbraw/zinc/94/38/21/1120943821.db2.gz CRPIEFHTRZOMHV-UHFFFAOYSA-N 1 2 344.430 3.857 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2CC)cc1F ZINC000495061489 1120943825 /nfs/dbraw/zinc/94/38/25/1120943825.db2.gz CRPIEFHTRZOMHV-UHFFFAOYSA-N 1 2 344.430 3.857 20 0 EHADLO Clc1ccc(OC[C@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000914790467 1120989008 /nfs/dbraw/zinc/98/90/08/1120989008.db2.gz XMIJXRUJIAGWDW-CQSZACIVSA-N 1 2 333.819 3.644 20 0 EHADLO Clc1ccc(OC[C@H]2CCC[N@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000914790467 1120989011 /nfs/dbraw/zinc/98/90/11/1120989011.db2.gz XMIJXRUJIAGWDW-CQSZACIVSA-N 1 2 333.819 3.644 20 0 EHADLO Cc1cccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)n1 ZINC000356229632 1128960644 /nfs/dbraw/zinc/96/06/44/1128960644.db2.gz ZBSYGYGHSQPBMT-YFHOEESVSA-N 1 2 329.363 3.796 20 0 EHADLO Cc1cccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)n1 ZINC000356229631 1128960947 /nfs/dbraw/zinc/96/09/47/1128960947.db2.gz ZBSYGYGHSQPBMT-JXMROGBWSA-N 1 2 329.363 3.796 20 0 EHADLO Cc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000762058664 1121084128 /nfs/dbraw/zinc/08/41/28/1121084128.db2.gz APCMBBLJYCDWQA-MRXNPFEDSA-N 1 2 333.863 3.619 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc(Cl)s1 ZINC000302741932 1121100824 /nfs/dbraw/zinc/10/08/24/1121100824.db2.gz LPTLNPFAVAHHAW-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc(Cl)s1 ZINC000302741932 1121100830 /nfs/dbraw/zinc/10/08/30/1121100830.db2.gz LPTLNPFAVAHHAW-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000303627538 1121166178 /nfs/dbraw/zinc/16/61/78/1121166178.db2.gz DZFPHHZBAULUCO-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(F)c1)[C@@H]2C ZINC001168487744 1121176961 /nfs/dbraw/zinc/17/69/61/1121176961.db2.gz QLVDGPZJXXWWJR-HUUCEWRRSA-N 1 2 331.435 3.567 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(F)c1)[C@@H]2C ZINC001168487744 1121176964 /nfs/dbraw/zinc/17/69/64/1121176964.db2.gz QLVDGPZJXXWWJR-HUUCEWRRSA-N 1 2 331.435 3.567 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000762232543 1121202067 /nfs/dbraw/zinc/20/20/67/1121202067.db2.gz NQLBJIHWJOGHQN-WUXMJOGZSA-N 1 2 343.736 3.634 20 0 EHADLO C/C=C/C=C\C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000915178913 1121233134 /nfs/dbraw/zinc/23/31/34/1121233134.db2.gz SEPBHGHKEMIDGY-IARDXVPHSA-N 1 2 336.838 3.865 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000915209233 1121252990 /nfs/dbraw/zinc/25/29/90/1121252990.db2.gz LDFBCTINIAQPNM-ZDUSSCGKSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000915209233 1121252994 /nfs/dbraw/zinc/25/29/94/1121252994.db2.gz LDFBCTINIAQPNM-ZDUSSCGKSA-N 1 2 334.489 3.867 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H]2CCCC[C@H]12 ZINC000915209838 1121254677 /nfs/dbraw/zinc/25/46/77/1121254677.db2.gz PCQLGLBDMUYTLR-XYPHTWIQSA-N 1 2 345.418 3.501 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H]2CCCC[C@H]12 ZINC000915209838 1121254682 /nfs/dbraw/zinc/25/46/82/1121254682.db2.gz PCQLGLBDMUYTLR-XYPHTWIQSA-N 1 2 345.418 3.501 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053665142 1121376614 /nfs/dbraw/zinc/37/66/14/1121376614.db2.gz KTNBAPZGBYBBHA-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C1CC1 ZINC000915465741 1121418622 /nfs/dbraw/zinc/41/86/22/1121418622.db2.gz IYQBFCWDSKAHFW-NWDGAFQWSA-N 1 2 334.464 3.920 20 0 EHADLO CC(C)C(=O)Nc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000236577630 1121457693 /nfs/dbraw/zinc/45/76/93/1121457693.db2.gz KLZMSISJTNGRHL-UHFFFAOYSA-N 1 2 338.455 3.757 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282111839 1121515342 /nfs/dbraw/zinc/51/53/42/1121515342.db2.gz FUDRLXHYPVPXRS-ZDUSSCGKSA-N 1 2 344.484 3.782 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)c1 ZINC000915676703 1121579352 /nfs/dbraw/zinc/57/93/52/1121579352.db2.gz USCHNTQLLPAXCD-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)c1 ZINC000915676703 1121579357 /nfs/dbraw/zinc/57/93/57/1121579357.db2.gz USCHNTQLLPAXCD-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO CCOC1CC[NH+](Cn2ccn(-c3cccc(C)c3)c2=S)CC1 ZINC000193710263 1121581577 /nfs/dbraw/zinc/58/15/77/1121581577.db2.gz YHPYZHGQWGRUAN-UHFFFAOYSA-N 1 2 331.485 3.775 20 0 EHADLO C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000062370842 1121708856 /nfs/dbraw/zinc/70/88/56/1121708856.db2.gz WMCAKXUSHNWZEL-LRDDRELGSA-N 1 2 338.854 3.778 20 0 EHADLO COc1ccc(C)cc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224606 1121750188 /nfs/dbraw/zinc/75/01/88/1121750188.db2.gz PJDWPLDLBDCQCH-UHFFFAOYSA-N 1 2 339.370 3.510 20 0 EHADLO C[C@H](C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265638 1121879984 /nfs/dbraw/zinc/87/99/84/1121879984.db2.gz LZFHGUHHVYQSSE-BXUZGUMPSA-N 1 2 329.893 3.782 20 0 EHADLO C[C@H](C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265638 1121879988 /nfs/dbraw/zinc/87/99/88/1121879988.db2.gz LZFHGUHHVYQSSE-BXUZGUMPSA-N 1 2 329.893 3.782 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@H]3CCCCC[C@@H]31)CCC2 ZINC000763222200 1121912914 /nfs/dbraw/zinc/91/29/14/1121912914.db2.gz VTESZFBGPGUANC-CWRNSKLLSA-N 1 2 347.528 3.763 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@H]3CCCCC[C@@H]31)CCC2 ZINC000763222200 1121912920 /nfs/dbraw/zinc/91/29/20/1121912920.db2.gz VTESZFBGPGUANC-CWRNSKLLSA-N 1 2 347.528 3.763 20 0 EHADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)s1 ZINC000672569001 1129019316 /nfs/dbraw/zinc/01/93/16/1129019316.db2.gz VNZHMDMBQSAKNU-LSDHHAIUSA-N 1 2 331.485 3.778 20 0 EHADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)s1 ZINC000672569001 1129019322 /nfs/dbraw/zinc/01/93/22/1129019322.db2.gz VNZHMDMBQSAKNU-LSDHHAIUSA-N 1 2 331.485 3.778 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000763295236 1121948005 /nfs/dbraw/zinc/94/80/05/1121948005.db2.gz ZWCPUPMKGPPXPN-UHFFFAOYSA-N 1 2 330.384 3.998 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CCCCCCC1 ZINC000915884813 1121950003 /nfs/dbraw/zinc/95/00/03/1121950003.db2.gz LMRPHKYWOHCQEQ-UHFFFAOYSA-N 1 2 344.503 3.984 20 0 EHADLO CCCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000915885327 1121956628 /nfs/dbraw/zinc/95/66/28/1121956628.db2.gz DDELQOCRBPAITB-INIZCTEOSA-N 1 2 332.492 3.840 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@H](C4CC4)C3)c(=S)n2C)c1 ZINC000763336137 1121967690 /nfs/dbraw/zinc/96/76/90/1121967690.db2.gz ZFXCVJNDULSBGL-INIZCTEOSA-N 1 2 328.485 3.616 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@H](C4CC4)C3)c(=S)n2C)c1 ZINC000763336137 1121967695 /nfs/dbraw/zinc/96/76/95/1121967695.db2.gz ZFXCVJNDULSBGL-INIZCTEOSA-N 1 2 328.485 3.616 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cs1 ZINC000171783075 1121970282 /nfs/dbraw/zinc/97/02/82/1121970282.db2.gz HPLJIURAMNUYNG-NEPJUHHUSA-N 1 2 345.468 3.586 20 0 EHADLO Cc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000916023601 1122024845 /nfs/dbraw/zinc/02/48/45/1122024845.db2.gz MMBFJQDUDQGDNG-UHFFFAOYSA-N 1 2 340.496 3.867 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000916152896 1122074489 /nfs/dbraw/zinc/07/44/89/1122074489.db2.gz YLTSRFCRSUOCAA-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000916152896 1122074500 /nfs/dbraw/zinc/07/45/00/1122074500.db2.gz YLTSRFCRSUOCAA-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cccnc1Cl ZINC000496642519 1122139869 /nfs/dbraw/zinc/13/98/69/1122139869.db2.gz HUDRGEIVOCXJLJ-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cccnc1Cl ZINC000496642519 1122139872 /nfs/dbraw/zinc/13/98/72/1122139872.db2.gz HUDRGEIVOCXJLJ-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO CCCCc1ccc([C@@H]([NH2+]Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000499578998 1129040620 /nfs/dbraw/zinc/04/06/20/1129040620.db2.gz ZSZOTLJLLUQJIO-SFHVURJKSA-N 1 2 330.476 3.965 20 0 EHADLO Cc1[nH+]ccn1CCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000124595018 1122290060 /nfs/dbraw/zinc/29/00/60/1122290060.db2.gz OSXWJTPIJRCJTM-UHFFFAOYSA-N 1 2 331.420 3.688 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125243214 1122309817 /nfs/dbraw/zinc/30/98/17/1122309817.db2.gz NGHNODLQAZEPFQ-LPHOPBHVSA-N 1 2 340.471 3.652 20 0 EHADLO Clc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)cc1Cl ZINC000916836179 1122363325 /nfs/dbraw/zinc/36/33/25/1122363325.db2.gz DFJHKDHDIRVIEB-UHFFFAOYSA-N 1 2 333.222 3.864 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000126210739 1122396154 /nfs/dbraw/zinc/39/61/54/1122396154.db2.gz PXGFKTUWSKMYJB-HNNXBMFYSA-N 1 2 344.480 3.631 20 0 EHADLO COc1c(C)c[nH+]c(CSc2n[nH]c(-c3ccccc3)n2)c1C ZINC000126780526 1122428440 /nfs/dbraw/zinc/42/84/40/1122428440.db2.gz VHZOXUBSBCUZHG-UHFFFAOYSA-N 1 2 326.425 3.784 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922043836 1129055482 /nfs/dbraw/zinc/05/54/82/1129055482.db2.gz DICLELIOELTZRI-UHFFFAOYSA-N 1 2 331.803 3.985 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](c1ccccc1)C1CC1 ZINC000127060175 1122459083 /nfs/dbraw/zinc/45/90/83/1122459083.db2.gz JEIHFTJALRXTSH-HXUWFJFHSA-N 1 2 349.409 3.821 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127316206 1122476865 /nfs/dbraw/zinc/47/68/65/1122476865.db2.gz PLNSBCHCIWUBQO-MSOLQXFVSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127316206 1122476867 /nfs/dbraw/zinc/47/68/67/1122476867.db2.gz PLNSBCHCIWUBQO-MSOLQXFVSA-N 1 2 336.426 3.797 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898960 1122490078 /nfs/dbraw/zinc/49/00/78/1122490078.db2.gz JAXLBWAMRSYLKB-KRWDZBQOSA-N 1 2 349.434 3.682 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898960 1122490081 /nfs/dbraw/zinc/49/00/81/1122490081.db2.gz JAXLBWAMRSYLKB-KRWDZBQOSA-N 1 2 349.434 3.682 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000917436239 1122601603 /nfs/dbraw/zinc/60/16/03/1122601603.db2.gz AFLYYMRSRFSEAY-UHFFFAOYSA-N 1 2 340.467 3.833 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000917436239 1122601606 /nfs/dbraw/zinc/60/16/06/1122601606.db2.gz AFLYYMRSRFSEAY-UHFFFAOYSA-N 1 2 340.467 3.833 20 0 EHADLO S=c1n(Cc2cccs2)nnn1C[N@H+](C1CC1)C1CCCCC1 ZINC000917428578 1122606286 /nfs/dbraw/zinc/60/62/86/1122606286.db2.gz BPHPVFMGBWMRKC-UHFFFAOYSA-N 1 2 349.529 3.673 20 0 EHADLO S=c1n(Cc2cccs2)nnn1C[N@@H+](C1CC1)C1CCCCC1 ZINC000917428578 1122606291 /nfs/dbraw/zinc/60/62/91/1122606291.db2.gz BPHPVFMGBWMRKC-UHFFFAOYSA-N 1 2 349.529 3.673 20 0 EHADLO CC1(C)CCC(=CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000154410770 1122613986 /nfs/dbraw/zinc/61/39/86/1122613986.db2.gz XNSHHVKDPHUBBQ-UHFFFAOYSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128536277 1122619287 /nfs/dbraw/zinc/61/92/87/1122619287.db2.gz JRUBQQPYJJOLCA-IAGOWNOFSA-N 1 2 342.508 3.832 20 0 EHADLO CC(C)c1cccc(NC(=S)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000917574803 1122641859 /nfs/dbraw/zinc/64/18/59/1122641859.db2.gz PMNJAJPMVOWHER-UHFFFAOYSA-N 1 2 342.512 3.872 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3(C)CCCCC3)CC2)cc1 ZINC000154536062 1122688700 /nfs/dbraw/zinc/68/87/00/1122688700.db2.gz YURCNDGALYKADW-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000068904316 1122721748 /nfs/dbraw/zinc/72/17/48/1122721748.db2.gz AEFQTKPBGQFOIW-MRXNPFEDSA-N 1 2 325.391 3.846 20 0 EHADLO O=C(CCC1CCCCC1)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000917973482 1122722387 /nfs/dbraw/zinc/72/23/87/1122722387.db2.gz UBXSHPAYABRCEY-HNNXBMFYSA-N 1 2 347.330 3.685 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000069086509 1122750690 /nfs/dbraw/zinc/75/06/90/1122750690.db2.gz ANYRIDQHPZBGFC-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000069086509 1122750694 /nfs/dbraw/zinc/75/06/94/1122750694.db2.gz ANYRIDQHPZBGFC-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO Cc1cnccc1C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000556139996 1122836623 /nfs/dbraw/zinc/83/66/23/1122836623.db2.gz HEHWGGOETDOBKL-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cnccc1C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000556139996 1122836630 /nfs/dbraw/zinc/83/66/30/1122836630.db2.gz HEHWGGOETDOBKL-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)nc(C(C)C)[nH+]1 ZINC000556235281 1122888143 /nfs/dbraw/zinc/88/81/43/1122888143.db2.gz GHDRZTFFTLGDAF-CRAIPNDOSA-N 1 2 340.471 3.873 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738927 1122902498 /nfs/dbraw/zinc/90/24/98/1122902498.db2.gz BCBSXHTURNERAY-YPMHNXCESA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738927 1122902500 /nfs/dbraw/zinc/90/25/00/1122902500.db2.gz BCBSXHTURNERAY-YPMHNXCESA-N 1 2 328.815 3.751 20 0 EHADLO CC(C)(CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000498500136 1122945215 /nfs/dbraw/zinc/94/52/15/1122945215.db2.gz SBHWHYGPOKIYTH-UHFFFAOYSA-N 1 2 347.462 3.916 20 0 EHADLO Cc1cc(C)cc(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001128329787 1129091618 /nfs/dbraw/zinc/09/16/18/1129091618.db2.gz OPDKCSRUCSTVMN-KRWDZBQOSA-N 1 2 342.508 3.813 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1csc(C2CC2)n1 ZINC000194889257 1123042133 /nfs/dbraw/zinc/04/21/33/1123042133.db2.gz GHMXFUPWACJRSG-UHFFFAOYSA-N 1 2 348.497 3.715 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000131276381 1123071832 /nfs/dbraw/zinc/07/18/32/1123071832.db2.gz CPFSKIHEKCBEPT-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000131276381 1123071836 /nfs/dbraw/zinc/07/18/36/1123071836.db2.gz CPFSKIHEKCBEPT-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000131435588 1123106313 /nfs/dbraw/zinc/10/63/13/1123106313.db2.gz FNWAGFKGYBZTOZ-OAHLLOKOSA-N 1 2 345.874 3.922 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC12CCCCC2 ZINC000498936222 1123120173 /nfs/dbraw/zinc/12/01/73/1123120173.db2.gz CHHWGOQRRALEMB-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)CC12CCCCC2 ZINC000498936222 1123120175 /nfs/dbraw/zinc/12/01/75/1123120175.db2.gz CHHWGOQRRALEMB-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000498959437 1123130923 /nfs/dbraw/zinc/13/09/23/1123130923.db2.gz XIWCGXLOMQUDKH-UHFFFAOYSA-N 1 2 326.465 3.644 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802452 1123160254 /nfs/dbraw/zinc/16/02/54/1123160254.db2.gz APJMEXLYRHVKJO-LBPRGKRZSA-N 1 2 344.377 3.605 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000073628892 1123213117 /nfs/dbraw/zinc/21/31/17/1123213117.db2.gz FNXOIFAWXNYJEJ-LJQANCHMSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000132324469 1123219067 /nfs/dbraw/zinc/21/90/67/1123219067.db2.gz HPLHJDRCKDFPOL-IBGZPJMESA-N 1 2 340.471 3.894 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132519150 1123242332 /nfs/dbraw/zinc/24/23/32/1123242332.db2.gz ZLVIWCABAUJKNL-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132519150 1123242335 /nfs/dbraw/zinc/24/23/35/1123242335.db2.gz ZLVIWCABAUJKNL-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000919954694 1123245286 /nfs/dbraw/zinc/24/52/86/1123245286.db2.gz XOQMQSGCGWLATD-PMACEKPBSA-N 1 2 348.446 3.570 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000919954694 1123245288 /nfs/dbraw/zinc/24/52/88/1123245288.db2.gz XOQMQSGCGWLATD-PMACEKPBSA-N 1 2 348.446 3.570 20 0 EHADLO CCCN(CC(C)C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000499195111 1123266942 /nfs/dbraw/zinc/26/69/42/1123266942.db2.gz XIXWTAOPYSFEBQ-UHFFFAOYSA-N 1 2 333.501 3.771 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000152631113 1123273311 /nfs/dbraw/zinc/27/33/11/1123273311.db2.gz PXOCBHYZTQOKAV-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(OC(F)F)c1 ZINC000499242167 1123293718 /nfs/dbraw/zinc/29/37/18/1123293718.db2.gz IZQCFUNIXOCLGX-UHFFFAOYSA-N 1 2 329.387 3.840 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(OC(F)F)c1 ZINC000499242167 1123293720 /nfs/dbraw/zinc/29/37/20/1123293720.db2.gz IZQCFUNIXOCLGX-UHFFFAOYSA-N 1 2 329.387 3.840 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1C ZINC000132976895 1123324485 /nfs/dbraw/zinc/32/44/85/1123324485.db2.gz OJTBVKLGVRZQLV-YLJYHZDGSA-N 1 2 337.467 3.816 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCOc1cccc(Cl)c1)C2 ZINC000609313726 1123348816 /nfs/dbraw/zinc/34/88/16/1123348816.db2.gz VMUTXJWEZSVOSS-UHFFFAOYSA-N 1 2 345.826 3.911 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCCOc1cccc(Cl)c1)C2 ZINC000609313726 1123348821 /nfs/dbraw/zinc/34/88/21/1123348821.db2.gz VMUTXJWEZSVOSS-UHFFFAOYSA-N 1 2 345.826 3.911 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021121 1129116488 /nfs/dbraw/zinc/11/64/88/1129116488.db2.gz IIFNYPDYGPMPOE-PJQXDXOGSA-N 1 2 342.405 3.648 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021121 1129116490 /nfs/dbraw/zinc/11/64/90/1129116490.db2.gz IIFNYPDYGPMPOE-PJQXDXOGSA-N 1 2 342.405 3.648 20 0 EHADLO CCC1(CC)[C@H]([N@H+](C)Cc2noc(-c3ccsc3)n2)C[C@@H]1OC ZINC000428827405 1123369604 /nfs/dbraw/zinc/36/96/04/1123369604.db2.gz HQTUUDDRWWKLOS-KGLIPLIRSA-N 1 2 335.473 3.824 20 0 EHADLO CCC1(CC)[C@H]([N@@H+](C)Cc2noc(-c3ccsc3)n2)C[C@@H]1OC ZINC000428827405 1123369606 /nfs/dbraw/zinc/36/96/06/1123369606.db2.gz HQTUUDDRWWKLOS-KGLIPLIRSA-N 1 2 335.473 3.824 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000920768258 1123422305 /nfs/dbraw/zinc/42/23/05/1123422305.db2.gz QYVXBBJSZZTQQA-AWEZNQCLSA-N 1 2 339.361 3.747 20 0 EHADLO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)[nH]n1 ZINC000195410231 1123425410 /nfs/dbraw/zinc/42/54/10/1123425410.db2.gz HZMDWJRUHCZFMQ-MRXNPFEDSA-N 1 2 334.423 3.977 20 0 EHADLO c1cc([C@@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)[nH]n1 ZINC000195410231 1123425411 /nfs/dbraw/zinc/42/54/11/1123425411.db2.gz HZMDWJRUHCZFMQ-MRXNPFEDSA-N 1 2 334.423 3.977 20 0 EHADLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)sc1-c1ccccc1 ZINC000920926103 1123437691 /nfs/dbraw/zinc/43/76/91/1123437691.db2.gz DYWRVARGNQZCGG-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000921184499 1123479903 /nfs/dbraw/zinc/47/99/03/1123479903.db2.gz KFFONVHYZHLKNC-LBPRGKRZSA-N 1 2 332.860 3.983 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000921184499 1123479905 /nfs/dbraw/zinc/47/99/05/1123479905.db2.gz KFFONVHYZHLKNC-LBPRGKRZSA-N 1 2 332.860 3.983 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000921184498 1123480048 /nfs/dbraw/zinc/48/00/48/1123480048.db2.gz KFFONVHYZHLKNC-GFCCVEGCSA-N 1 2 332.860 3.983 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000921184498 1123480050 /nfs/dbraw/zinc/48/00/50/1123480050.db2.gz KFFONVHYZHLKNC-GFCCVEGCSA-N 1 2 332.860 3.983 20 0 EHADLO OCCC[N@H+](Cc1cc(-c2ccco2)on1)Cc1cccc(Cl)c1 ZINC000134283118 1123513680 /nfs/dbraw/zinc/51/36/80/1123513680.db2.gz YLTNACBQNHWFEY-UHFFFAOYSA-N 1 2 346.814 3.973 20 0 EHADLO OCCC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1cccc(Cl)c1 ZINC000134283118 1123513686 /nfs/dbraw/zinc/51/36/86/1123513686.db2.gz YLTNACBQNHWFEY-UHFFFAOYSA-N 1 2 346.814 3.973 20 0 EHADLO CCC[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000134312366 1123515671 /nfs/dbraw/zinc/51/56/71/1123515671.db2.gz BINUGEPCPWZBBH-GOSISDBHSA-N 1 2 327.472 3.662 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)n1)c1ccccc1 ZINC000175161197 1123609159 /nfs/dbraw/zinc/60/91/59/1123609159.db2.gz OJNVSIZYNXHKEJ-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1)c1ccccc1 ZINC000175161197 1123609161 /nfs/dbraw/zinc/60/91/61/1123609161.db2.gz OJNVSIZYNXHKEJ-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2C1 ZINC000064440657 1123618076 /nfs/dbraw/zinc/61/80/76/1123618076.db2.gz WOSJNFPESASWAK-DYVFJYSZSA-N 1 2 345.512 3.914 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265412 1123644395 /nfs/dbraw/zinc/64/43/95/1123644395.db2.gz QRWDVKXFVLDACJ-OCCSQVGLSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265412 1123644398 /nfs/dbraw/zinc/64/43/98/1123644398.db2.gz QRWDVKXFVLDACJ-OCCSQVGLSA-N 1 2 334.514 3.576 20 0 EHADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000136041907 1123659751 /nfs/dbraw/zinc/65/97/51/1123659751.db2.gz SNNWAPIXEAMDDC-UHFFFAOYSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000136206292 1123676769 /nfs/dbraw/zinc/67/67/69/1123676769.db2.gz ZUQHPFLRUDWUTP-UHFFFAOYSA-N 1 2 347.846 3.511 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccccc1 ZINC000136503501 1123700932 /nfs/dbraw/zinc/70/09/32/1123700932.db2.gz MBBMVYWBDPCUNB-MLGOLLRUSA-N 1 2 330.453 3.661 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000610069885 1123726178 /nfs/dbraw/zinc/72/61/78/1123726178.db2.gz KCDYDRSQVLLOQW-HUUCEWRRSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nnc(Cc4cccs4)o3)cn2c1 ZINC000066261424 1129143530 /nfs/dbraw/zinc/14/35/30/1129143530.db2.gz BONBOORRMXUKKO-UHFFFAOYSA-N 1 2 342.449 3.970 20 0 EHADLO O=C(C[NH2+]C1(c2ccccc2F)CC1)Nc1nc2ccccc2s1 ZINC000179649434 1123812810 /nfs/dbraw/zinc/81/28/10/1123812810.db2.gz NYAGXTGZYSOWTO-UHFFFAOYSA-N 1 2 341.411 3.653 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)C12CCC2 ZINC000179947823 1123905057 /nfs/dbraw/zinc/90/50/57/1123905057.db2.gz XCJGCHSJAGZZDW-KFKAGJAMSA-N 1 2 330.472 3.671 20 0 EHADLO CCN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775915 1123950119 /nfs/dbraw/zinc/95/01/19/1123950119.db2.gz YAZKPAPVRGQGPF-KJJMTIBFSA-N 1 2 341.543 3.646 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328408 1123983144 /nfs/dbraw/zinc/98/31/44/1123983144.db2.gz KSCHFHSPHSNBCE-RLLQIKCJSA-N 1 2 337.467 3.630 20 0 EHADLO Cc1ccccc1[C@@H]1CC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000068876249 1124047462 /nfs/dbraw/zinc/04/74/62/1124047462.db2.gz VOBOVZCVNYNHLQ-OAHLLOKOSA-N 1 2 330.501 3.925 20 0 EHADLO Cc1ccccc1[C@@H]1CC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000068876249 1124047465 /nfs/dbraw/zinc/04/74/65/1124047465.db2.gz VOBOVZCVNYNHLQ-OAHLLOKOSA-N 1 2 330.501 3.925 20 0 EHADLO CC(C)Oc1cc(F)ccc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001212289613 1124078301 /nfs/dbraw/zinc/07/83/01/1124078301.db2.gz BICINDMFHNCNBE-UHFFFAOYSA-N 1 2 345.418 3.713 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCC34CCCCC4)[nH+]c12 ZINC000617105742 1124093978 /nfs/dbraw/zinc/09/39/78/1124093978.db2.gz QNLUJOHPYHFRJO-QGZVFWFLSA-N 1 2 325.456 3.804 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000617178635 1124095418 /nfs/dbraw/zinc/09/54/18/1124095418.db2.gz OESRWZJKPFFREO-LJQANCHMSA-N 1 2 346.434 3.861 20 0 EHADLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000543063085 1129176699 /nfs/dbraw/zinc/17/66/99/1129176699.db2.gz OBMFSXQMKGSOMO-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000543063085 1129176703 /nfs/dbraw/zinc/17/67/03/1129176703.db2.gz OBMFSXQMKGSOMO-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO COc1ccc(-c2ccc(C(=O)OCc3c[nH+]cn3C)c(F)c2)cc1 ZINC000085987142 1129178171 /nfs/dbraw/zinc/17/81/71/1129178171.db2.gz ADDQTCDBRMKUSS-UHFFFAOYSA-N 1 2 340.354 3.592 20 0 EHADLO C[C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000734649624 1131262344 /nfs/dbraw/zinc/26/23/44/1131262344.db2.gz JCZQLURVKGBHGV-JKSUJKDBSA-N 1 2 347.503 3.884 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246480983 1124481123 /nfs/dbraw/zinc/48/11/23/1124481123.db2.gz QPCZNGFCQKUXNY-BPQIPLTHSA-N 1 2 342.487 3.544 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(OC3CCCC3)c2)c[nH+]1 ZINC000825286728 1131263270 /nfs/dbraw/zinc/26/32/70/1131263270.db2.gz QMFYGDBNNXOIRK-UHFFFAOYSA-N 1 2 327.428 3.887 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000248585680 1124677009 /nfs/dbraw/zinc/67/70/09/1124677009.db2.gz JOXJTCBCVCBJBZ-HZSPNIEDSA-N 1 2 337.533 3.881 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000248746562 1124695759 /nfs/dbraw/zinc/69/57/59/1124695759.db2.gz FNSPXOLXHJUXSL-VQFNDLOPSA-N 1 2 334.508 3.692 20 0 EHADLO CCCCC[N@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)C ZINC000734828987 1131283488 /nfs/dbraw/zinc/28/34/88/1131283488.db2.gz BQXOUTBGEBYDAR-UHFFFAOYSA-N 1 2 345.409 3.998 20 0 EHADLO CCCCC[N@@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)C ZINC000734828987 1131283492 /nfs/dbraw/zinc/28/34/92/1131283492.db2.gz BQXOUTBGEBYDAR-UHFFFAOYSA-N 1 2 345.409 3.998 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000735068959 1131305593 /nfs/dbraw/zinc/30/55/93/1131305593.db2.gz NNZYZUAXOLUOAD-OAQYLSRUSA-N 1 2 338.451 3.650 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000735068959 1131305598 /nfs/dbraw/zinc/30/55/98/1131305598.db2.gz NNZYZUAXOLUOAD-OAQYLSRUSA-N 1 2 338.451 3.650 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920032 1124839394 /nfs/dbraw/zinc/83/93/94/1124839394.db2.gz WQPBNLGRVAUEJY-GOSISDBHSA-N 1 2 348.406 3.618 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000448783134 1124907753 /nfs/dbraw/zinc/90/77/53/1124907753.db2.gz GKZACVFRCZUDAL-MJGOQNOKSA-N 1 2 330.472 3.674 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091261058 1124972079 /nfs/dbraw/zinc/97/20/79/1124972079.db2.gz RRVUHDKEYBMAAR-HOTGVXAUSA-N 1 2 341.858 3.664 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)N(C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091261058 1124972088 /nfs/dbraw/zinc/97/20/88/1124972088.db2.gz RRVUHDKEYBMAAR-HOTGVXAUSA-N 1 2 341.858 3.664 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1cc(Cl)ccc1OC(F)F ZINC000735249369 1131325879 /nfs/dbraw/zinc/32/58/79/1131325879.db2.gz YNBBQBQCPXPARS-UHFFFAOYSA-N 1 2 344.745 3.662 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2c(cccc2Cl)s1 ZINC000618419544 1125075926 /nfs/dbraw/zinc/07/59/26/1125075926.db2.gz VGTJZOUMIPIHOH-UHFFFAOYSA-N 1 2 333.844 3.961 20 0 EHADLO Cc1cc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2n1 ZINC000181980803 1125101753 /nfs/dbraw/zinc/10/17/53/1125101753.db2.gz RMMUNWNJYMMSDO-HXUWFJFHSA-N 1 2 334.419 3.889 20 0 EHADLO COc1cc(OC)cc(OCCC[N@H+](C)C/C(Cl)=C/Cl)c1 ZINC000763563213 1125331949 /nfs/dbraw/zinc/33/19/49/1125331949.db2.gz FDVINYDEDWQIEX-BENRWUELSA-N 1 2 334.243 3.724 20 0 EHADLO COc1cc(OC)cc(OCCC[N@@H+](C)C/C(Cl)=C/Cl)c1 ZINC000763563213 1125331952 /nfs/dbraw/zinc/33/19/52/1125331952.db2.gz FDVINYDEDWQIEX-BENRWUELSA-N 1 2 334.243 3.724 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000735469032 1131351085 /nfs/dbraw/zinc/35/10/85/1131351085.db2.gz RMDJFLDJNCBQRV-QWUACUGRSA-N 1 2 348.450 3.676 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCCC2)c1 ZINC000152930013 1125400081 /nfs/dbraw/zinc/40/00/81/1125400081.db2.gz HCEUNHYJWLRLQY-LJQANCHMSA-N 1 2 349.478 3.597 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000619913675 1125431135 /nfs/dbraw/zinc/43/11/35/1125431135.db2.gz OIAFLKVLSPGAKK-QAPCUYQASA-N 1 2 341.430 3.866 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000085987513 1129181358 /nfs/dbraw/zinc/18/13/58/1129181358.db2.gz VYSIPEBGFYDXPF-UHFFFAOYSA-N 1 2 339.376 3.647 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000681948871 1129200423 /nfs/dbraw/zinc/20/04/23/1129200423.db2.gz JYYZATVACCICMN-SFHVURJKSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466109183 1129205395 /nfs/dbraw/zinc/20/53/95/1129205395.db2.gz XXHIKZBEBPRKCH-ROUUACIJSA-N 1 2 347.528 3.544 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077131 1129206609 /nfs/dbraw/zinc/20/66/09/1129206609.db2.gz WXCWVXKTWSYWDO-CABCVRRESA-N 1 2 347.459 3.986 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077131 1129206611 /nfs/dbraw/zinc/20/66/11/1129206611.db2.gz WXCWVXKTWSYWDO-CABCVRRESA-N 1 2 347.459 3.986 20 0 EHADLO Nc1nc(N2CCCc3c([nH]c4c3cccc4F)C2)[nH+]c2ccccc12 ZINC000543090854 1129209714 /nfs/dbraw/zinc/20/97/14/1129209714.db2.gz NJWLADPRQYGMFS-UHFFFAOYSA-N 1 2 347.397 3.616 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CC2(CCC2)c2ccccc21 ZINC000682857170 1129244274 /nfs/dbraw/zinc/24/42/74/1129244274.db2.gz HFWTYOISNNMDQP-UHFFFAOYSA-N 1 2 347.462 3.654 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657294779 1129248094 /nfs/dbraw/zinc/24/80/94/1129248094.db2.gz MGRZLPUSFJOHLJ-ABAIWWIYSA-N 1 2 336.407 3.699 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657294779 1129248098 /nfs/dbraw/zinc/24/80/98/1129248098.db2.gz MGRZLPUSFJOHLJ-ABAIWWIYSA-N 1 2 336.407 3.699 20 0 EHADLO Cc1ccnc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000683004088 1129255301 /nfs/dbraw/zinc/25/53/01/1129255301.db2.gz JFAUZOPLAZADCS-GHMZBOCLSA-N 1 2 326.284 3.953 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc(Cl)c1 ZINC000068938845 1129264611 /nfs/dbraw/zinc/26/46/11/1129264611.db2.gz VBMXAYBYWLONRL-CYBMUJFWSA-N 1 2 345.830 3.561 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC000115561287 1129274405 /nfs/dbraw/zinc/27/44/05/1129274405.db2.gz URKVQYMQPJIXJY-VQIMIIECSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC000115561287 1129274407 /nfs/dbraw/zinc/27/44/07/1129274407.db2.gz URKVQYMQPJIXJY-VQIMIIECSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@H](C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC000785465548 1129313419 /nfs/dbraw/zinc/31/34/19/1129313419.db2.gz IEYFIOHJXUWHTQ-VXGBXAGGSA-N 1 2 340.414 3.797 20 0 EHADLO C[C@H](C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC000785465548 1129313424 /nfs/dbraw/zinc/31/34/24/1129313424.db2.gz IEYFIOHJXUWHTQ-VXGBXAGGSA-N 1 2 340.414 3.797 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@H](O)COc2ccccc2C(C)C)cs1 ZINC000067996899 1129331343 /nfs/dbraw/zinc/33/13/43/1129331343.db2.gz JLCBIAICQPMCQL-INIZCTEOSA-N 1 2 348.512 3.701 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(C)C)cs1 ZINC000067996899 1129331348 /nfs/dbraw/zinc/33/13/48/1129331348.db2.gz JLCBIAICQPMCQL-INIZCTEOSA-N 1 2 348.512 3.701 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3CO)cs2)cc1 ZINC000543196344 1129331472 /nfs/dbraw/zinc/33/14/72/1129331472.db2.gz RIQCTVFCZLZVHG-KRWDZBQOSA-N 1 2 348.537 3.843 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3CO)cs2)cc1 ZINC000543196344 1129331477 /nfs/dbraw/zinc/33/14/77/1129331477.db2.gz RIQCTVFCZLZVHG-KRWDZBQOSA-N 1 2 348.537 3.843 20 0 EHADLO CC(C)c1ccsc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068196753 1129351281 /nfs/dbraw/zinc/35/12/81/1129351281.db2.gz PPWILZCMVIYKIY-UHFFFAOYSA-N 1 2 344.480 3.956 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000081318434 1129413702 /nfs/dbraw/zinc/41/37/02/1129413702.db2.gz PXCZKJQIIVHMAJ-QGZVFWFLSA-N 1 2 339.826 3.787 20 0 EHADLO O=C(c1ccccc1Cl)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471404 1129442515 /nfs/dbraw/zinc/44/25/15/1129442515.db2.gz MUVBVNRRKHCQLM-UHFFFAOYSA-N 1 2 349.887 3.575 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000499813064 1129518319 /nfs/dbraw/zinc/51/83/19/1129518319.db2.gz OJGYJIRHOJHGRG-ZIFCJYIRSA-N 1 2 338.536 3.599 20 0 EHADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922470950 1129541257 /nfs/dbraw/zinc/54/12/57/1129541257.db2.gz CMBTWQWHFGKZLN-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OCC(C)C ZINC000922580338 1129580313 /nfs/dbraw/zinc/58/03/13/1129580313.db2.gz BQDMZLPQEWUAGT-IBGZPJMESA-N 1 2 341.455 3.761 20 0 EHADLO FC(F)Oc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000922582334 1129581505 /nfs/dbraw/zinc/58/15/05/1129581505.db2.gz ZSFBAUMQZXGGSI-CQSZACIVSA-N 1 2 339.773 3.972 20 0 EHADLO CCOc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cc(Cl)c1OC ZINC000922583976 1129583371 /nfs/dbraw/zinc/58/33/71/1129583371.db2.gz ZEPMQTUCCPHPHW-INIZCTEOSA-N 1 2 347.846 3.778 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC000673604903 1129615625 /nfs/dbraw/zinc/61/56/25/1129615625.db2.gz JKNSWGULZOYSFE-QGZVFWFLSA-N 1 2 325.456 3.791 20 0 EHADLO Cc1cnc([C@H](C)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)cn1 ZINC000428973269 1129653310 /nfs/dbraw/zinc/65/33/10/1129653310.db2.gz CPEJIYOWWSPAOP-INIZCTEOSA-N 1 2 344.890 3.626 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000509022903 1129662625 /nfs/dbraw/zinc/66/26/25/1129662625.db2.gz SNAHOZJXNWYUBN-CKXPSTMWSA-N 1 2 346.452 3.981 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000509022903 1129662628 /nfs/dbraw/zinc/66/26/28/1129662628.db2.gz SNAHOZJXNWYUBN-CKXPSTMWSA-N 1 2 346.452 3.981 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(Cc2ccccc2)CCCCC1 ZINC000281456874 1129710442 /nfs/dbraw/zinc/71/04/42/1129710442.db2.gz DPRJWTCCIQXARE-UHFFFAOYSA-N 1 2 325.456 3.652 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(Cc2ccccc2)CCCCC1 ZINC000281456874 1129710445 /nfs/dbraw/zinc/71/04/45/1129710445.db2.gz DPRJWTCCIQXARE-UHFFFAOYSA-N 1 2 325.456 3.652 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625276601 1129798633 /nfs/dbraw/zinc/79/86/33/1129798633.db2.gz OFDUYZMGGBLQSD-MSOLQXFVSA-N 1 2 341.430 3.723 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000673738578 1129821111 /nfs/dbraw/zinc/82/11/11/1129821111.db2.gz CHBLMDQQPOPOKF-SFHVURJKSA-N 1 2 341.455 3.523 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625317201 1129823414 /nfs/dbraw/zinc/82/34/14/1129823414.db2.gz HXOMLFXEZOATOB-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625317201 1129823418 /nfs/dbraw/zinc/82/34/18/1129823418.db2.gz HXOMLFXEZOATOB-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429127597 1129837518 /nfs/dbraw/zinc/83/75/18/1129837518.db2.gz MHJKQSVTGSGFBR-HUUCEWRRSA-N 1 2 342.414 3.744 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429127597 1129837524 /nfs/dbraw/zinc/83/75/24/1129837524.db2.gz MHJKQSVTGSGFBR-HUUCEWRRSA-N 1 2 342.414 3.744 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429125736 1129841960 /nfs/dbraw/zinc/84/19/60/1129841960.db2.gz ZZDSSMGDHPZDGC-CHWSQXEVSA-N 1 2 346.377 3.575 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429125736 1129841965 /nfs/dbraw/zinc/84/19/65/1129841965.db2.gz ZZDSSMGDHPZDGC-CHWSQXEVSA-N 1 2 346.377 3.575 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CCc4ccccc43)[nH+]c12 ZINC000673781097 1129843310 /nfs/dbraw/zinc/84/33/10/1129843310.db2.gz LGPDNVNTNDHCNI-IBGZPJMESA-N 1 2 348.450 3.514 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@H](C)c4ccccc43)[nH+]c12 ZINC000673776245 1129844855 /nfs/dbraw/zinc/84/48/55/1129844855.db2.gz HZCDJUICYRQIBZ-HNNXBMFYSA-N 1 2 334.423 3.519 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)CCC(C)(C)C)[nH+]c12 ZINC000673779155 1129846135 /nfs/dbraw/zinc/84/61/35/1129846135.db2.gz XUWXAPIWRPSCSQ-HNNXBMFYSA-N 1 2 330.476 3.699 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000673798809 1129852161 /nfs/dbraw/zinc/85/21/61/1129852161.db2.gz VLZGAZXIWCXIBG-UHFFFAOYSA-N 1 2 341.798 3.828 20 0 EHADLO CCC[NH+](CCC)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000073957124 1129866311 /nfs/dbraw/zinc/86/63/11/1129866311.db2.gz VVKVTZXKIRTFDS-UHFFFAOYSA-N 1 2 334.489 3.706 20 0 EHADLO C[C@@H]1CC/C(=C\C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282452320 1129872195 /nfs/dbraw/zinc/87/21/95/1129872195.db2.gz VNIFBZIFEAMCHP-CQUHUCIESA-N 1 2 327.472 3.672 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4cc[nH]c43)c[nH+]2)C[C@H](C)O1 ZINC000347816858 1129873527 /nfs/dbraw/zinc/87/35/27/1129873527.db2.gz RXYQNXWLBUKMBZ-GASCZTMLSA-N 1 2 336.439 3.789 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572023 1129906463 /nfs/dbraw/zinc/90/64/63/1129906463.db2.gz FLAITPRIRGYMRU-FZKQIMNGSA-N 1 2 348.537 3.918 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572023 1129906464 /nfs/dbraw/zinc/90/64/64/1129906464.db2.gz FLAITPRIRGYMRU-FZKQIMNGSA-N 1 2 348.537 3.918 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673980772 1129931805 /nfs/dbraw/zinc/93/18/05/1129931805.db2.gz WLSXCQFHOBUODT-WMZOPIPTSA-N 1 2 342.487 3.782 20 0 EHADLO C[C@H]1OCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H]1C ZINC000347855442 1129931836 /nfs/dbraw/zinc/93/18/36/1129931836.db2.gz APUANTYRMGDKFK-CHWSQXEVSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@H]1OCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H]1C ZINC000347855442 1129931839 /nfs/dbraw/zinc/93/18/39/1129931839.db2.gz APUANTYRMGDKFK-CHWSQXEVSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1OCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H]1C ZINC000347855448 1129932248 /nfs/dbraw/zinc/93/22/48/1129932248.db2.gz APUANTYRMGDKFK-STQMWFEESA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1OCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H]1C ZINC000347855448 1129932250 /nfs/dbraw/zinc/93/22/50/1129932250.db2.gz APUANTYRMGDKFK-STQMWFEESA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429200307 1129963265 /nfs/dbraw/zinc/96/32/65/1129963265.db2.gz BIQQGYHZJVLRBP-AWEZNQCLSA-N 1 2 343.858 3.942 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657020 1129970738 /nfs/dbraw/zinc/97/07/38/1129970738.db2.gz SGFQAJUHGRRTOV-KDOFPFPSSA-N 1 2 348.368 3.510 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657020 1129970740 /nfs/dbraw/zinc/97/07/40/1129970740.db2.gz SGFQAJUHGRRTOV-KDOFPFPSSA-N 1 2 348.368 3.510 20 0 EHADLO CC(C)c1nc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000171435798 1130058398 /nfs/dbraw/zinc/05/83/98/1130058398.db2.gz VPYLGCPOBAMTSL-UHFFFAOYSA-N 1 2 344.484 3.582 20 0 EHADLO Fc1cc(Br)ccc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322003 1130065386 /nfs/dbraw/zinc/06/53/86/1130065386.db2.gz GISDPTNUGRYZPG-CQSZACIVSA-N 1 2 338.224 3.622 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674548541 1130127610 /nfs/dbraw/zinc/12/76/10/1130127610.db2.gz CIVZNXMXPYLRNA-UHFFFAOYSA-N 1 2 348.855 3.750 20 0 EHADLO c1ccc(C2([NH2+]Cc3noc(C4CCOCC4)n3)CCCCC2)cc1 ZINC000130378626 1130132311 /nfs/dbraw/zinc/13/23/11/1130132311.db2.gz WDBRXIXLAWCBQI-UHFFFAOYSA-N 1 2 341.455 3.913 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000172437911 1130134577 /nfs/dbraw/zinc/13/45/77/1130134577.db2.gz AUCHVXIFCAZURL-BRWVUGGUSA-N 1 2 347.503 3.709 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001212519976 1130155754 /nfs/dbraw/zinc/15/57/54/1130155754.db2.gz PVTGUVHCWRACRA-UHFFFAOYSA-N 1 2 340.301 3.829 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H](C)C(F)(F)F)CC2)s1 ZINC000625734509 1130191932 /nfs/dbraw/zinc/19/19/32/1130191932.db2.gz OZTDIVNQOJKBEM-GFCCVEGCSA-N 1 2 348.434 3.543 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674792228 1130195319 /nfs/dbraw/zinc/19/53/19/1130195319.db2.gz PJUQBBFATWFCKN-AWEZNQCLSA-N 1 2 341.308 3.518 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCn1ccccc1=O ZINC000674873112 1130209885 /nfs/dbraw/zinc/20/98/85/1130209885.db2.gz WZAHKPHJODOOJW-GFCCVEGCSA-N 1 2 337.250 3.774 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCn1ccccc1=O ZINC000674873112 1130209891 /nfs/dbraw/zinc/20/98/91/1130209891.db2.gz WZAHKPHJODOOJW-GFCCVEGCSA-N 1 2 337.250 3.774 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001212524983 1130223753 /nfs/dbraw/zinc/22/37/53/1130223753.db2.gz LKLZOLIRDAANHO-UHFFFAOYSA-N 1 2 329.787 3.837 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2c(C3CC3)cnn2C)c2ccccn2)cc1 ZINC000658213831 1130269433 /nfs/dbraw/zinc/26/94/33/1130269433.db2.gz UOWGTKRUROWAAV-OAQYLSRUSA-N 1 2 348.450 3.580 20 0 EHADLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ncnc2c1ncn2C ZINC000675155304 1130270263 /nfs/dbraw/zinc/27/02/63/1130270263.db2.gz KSPMJPQDZXUVFG-AWEZNQCLSA-N 1 2 336.443 3.794 20 0 EHADLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ncnc2c1ncn2C ZINC000675155304 1130270265 /nfs/dbraw/zinc/27/02/65/1130270265.db2.gz KSPMJPQDZXUVFG-AWEZNQCLSA-N 1 2 336.443 3.794 20 0 EHADLO CCOc1cc(Nc2ccccc2C[NH+]2CCOCC2)c(F)cc1F ZINC001212531667 1130284478 /nfs/dbraw/zinc/28/44/78/1130284478.db2.gz NETFOEVPQICMGT-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1SC(F)(F)F ZINC000766108188 1130322010 /nfs/dbraw/zinc/32/20/10/1130322010.db2.gz HGAZEQZBQBZSFI-QWRGUYRKSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1SC(F)(F)F ZINC000766108188 1130322015 /nfs/dbraw/zinc/32/20/15/1130322015.db2.gz HGAZEQZBQBZSFI-QWRGUYRKSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccccc1-c1ccccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212537337 1130324220 /nfs/dbraw/zinc/32/42/20/1130324220.db2.gz KLYRFGOPYQVQLK-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO Cc1sc(NC(=O)[C@H]2CCCC[N@H+]2C)nc1-c1ccc(C)cc1 ZINC000675622851 1130432926 /nfs/dbraw/zinc/43/29/26/1130432926.db2.gz XEEUEUUKUWZNMI-OAHLLOKOSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1sc(NC(=O)[C@H]2CCCC[N@@H+]2C)nc1-c1ccc(C)cc1 ZINC000675622851 1130432930 /nfs/dbraw/zinc/43/29/30/1130432930.db2.gz XEEUEUUKUWZNMI-OAHLLOKOSA-N 1 2 329.469 3.850 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000675610113 1130435868 /nfs/dbraw/zinc/43/58/68/1130435868.db2.gz DQNNAQABNVRJOX-KGLIPLIRSA-N 1 2 338.411 3.942 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CCOC(C)(C)C)c(C)n1CC(F)(F)F ZINC000676042723 1130522733 /nfs/dbraw/zinc/52/27/33/1130522733.db2.gz DMEZTCOFKXNHGB-UHFFFAOYSA-N 1 2 348.409 3.597 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CCOC(C)(C)C)c(C)n1CC(F)(F)F ZINC000676042723 1130522735 /nfs/dbraw/zinc/52/27/35/1130522735.db2.gz DMEZTCOFKXNHGB-UHFFFAOYSA-N 1 2 348.409 3.597 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)c1 ZINC000676139740 1130538549 /nfs/dbraw/zinc/53/85/49/1130538549.db2.gz NGYWDYJLIODZSG-FQEVSTJZSA-N 1 2 346.434 3.731 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727843878 1130601803 /nfs/dbraw/zinc/60/18/03/1130601803.db2.gz NTNWVYTUWNTIHO-HOTGVXAUSA-N 1 2 333.476 3.865 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](CCc2ccccc2)C2CC2)C1 ZINC000728042974 1130620684 /nfs/dbraw/zinc/62/06/84/1130620684.db2.gz LTCWFVRJEFURPJ-HNNXBMFYSA-N 1 2 342.508 3.699 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](CCc2ccccc2)C2CC2)C1 ZINC000728042974 1130620689 /nfs/dbraw/zinc/62/06/89/1130620689.db2.gz LTCWFVRJEFURPJ-HNNXBMFYSA-N 1 2 342.508 3.699 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000288083161 1130632469 /nfs/dbraw/zinc/63/24/69/1130632469.db2.gz NRYSDKPDUQITIQ-CRAIPNDOSA-N 1 2 334.423 3.627 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432585 1130711849 /nfs/dbraw/zinc/71/18/49/1130711849.db2.gz MFEBFWQGAKZZJE-OLZOCXBDSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432585 1130711852 /nfs/dbraw/zinc/71/18/52/1130711852.db2.gz MFEBFWQGAKZZJE-OLZOCXBDSA-N 1 2 347.821 3.691 20 0 EHADLO O=C(c1ccc2c(c1)-c1ccccc1C2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730833345 1130745527 /nfs/dbraw/zinc/74/55/27/1130745527.db2.gz KBRLXCQIVRGPPF-UHFFFAOYSA-N 1 2 342.398 3.556 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(Br)s1 ZINC000731028970 1130759635 /nfs/dbraw/zinc/75/96/35/1130759635.db2.gz LLUSXADAAJGDCO-UHFFFAOYSA-N 1 2 331.260 3.813 20 0 EHADLO Cc1ccc(-c2nc(CO[NH+]=C(N)Cc3cccs3)co2)cc1 ZINC000731028805 1130761405 /nfs/dbraw/zinc/76/14/05/1130761405.db2.gz JOXWXQHZRPOBTL-UHFFFAOYSA-N 1 2 327.409 3.953 20 0 EHADLO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000731666827 1130827393 /nfs/dbraw/zinc/82/73/93/1130827393.db2.gz LQMSDUSYYHJOPH-LJQANCHMSA-N 1 2 339.435 3.711 20 0 EHADLO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000731666827 1130827397 /nfs/dbraw/zinc/82/73/97/1130827397.db2.gz LQMSDUSYYHJOPH-LJQANCHMSA-N 1 2 339.435 3.711 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCCC4(CCCCC4)C3)c2=S)n1 ZINC000732190823 1130892036 /nfs/dbraw/zinc/89/20/36/1130892036.db2.gz NMMGOANHVYFYAR-UHFFFAOYSA-N 1 2 345.516 3.881 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCCC4(CCCCC4)C3)c2=S)n1 ZINC000732190823 1130892041 /nfs/dbraw/zinc/89/20/41/1130892041.db2.gz NMMGOANHVYFYAR-UHFFFAOYSA-N 1 2 345.516 3.881 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)nc12 ZINC000732211309 1130898123 /nfs/dbraw/zinc/89/81/23/1130898123.db2.gz VLHCRTDLHGKWHR-HLIPFELVSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccn2cc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)nc12 ZINC000732211309 1130898128 /nfs/dbraw/zinc/89/81/28/1130898128.db2.gz VLHCRTDLHGKWHR-HLIPFELVSA-N 1 2 335.451 3.993 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000732203874 1130900813 /nfs/dbraw/zinc/90/08/13/1130900813.db2.gz KQISXPAQLMXEEB-YVEFUNNKSA-N 1 2 349.862 3.792 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+]Cc2csc(C(C)(C)C)n2)c1 ZINC000732231074 1130903370 /nfs/dbraw/zinc/90/33/70/1130903370.db2.gz FNEUNZRRIDLYSB-UHFFFAOYSA-N 1 2 331.485 3.731 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000732989226 1130980095 /nfs/dbraw/zinc/98/00/95/1130980095.db2.gz QBTOLRGMSIIBKF-HBUWYVDXSA-N 1 2 336.426 3.606 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000732989226 1130980098 /nfs/dbraw/zinc/98/00/98/1130980098.db2.gz QBTOLRGMSIIBKF-HBUWYVDXSA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000733290071 1131017833 /nfs/dbraw/zinc/01/78/33/1131017833.db2.gz WGSYGGYBQGGHNU-ZDUSSCGKSA-N 1 2 329.271 3.887 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000733290071 1131017837 /nfs/dbraw/zinc/01/78/37/1131017837.db2.gz WGSYGGYBQGGHNU-ZDUSSCGKSA-N 1 2 329.271 3.887 20 0 EHADLO CCC[N@@H+](Cc1ncc(C(C)C)o1)C[C@H]1COc2ccccc2O1 ZINC000733307565 1131019883 /nfs/dbraw/zinc/01/98/83/1131019883.db2.gz NNWCFLOHEZSDHS-HNNXBMFYSA-N 1 2 330.428 3.850 20 0 EHADLO CCC[N@H+](Cc1ncc(C(C)C)o1)C[C@H]1COc2ccccc2O1 ZINC000733307565 1131019886 /nfs/dbraw/zinc/01/98/86/1131019886.db2.gz NNWCFLOHEZSDHS-HNNXBMFYSA-N 1 2 330.428 3.850 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297473 1131022581 /nfs/dbraw/zinc/02/25/81/1131022581.db2.gz NVYBBEGYNNXJIV-SWLSCSKDSA-N 1 2 326.362 3.668 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297473 1131022583 /nfs/dbraw/zinc/02/25/83/1131022583.db2.gz NVYBBEGYNNXJIV-SWLSCSKDSA-N 1 2 326.362 3.668 20 0 EHADLO COc1coc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1=O ZINC000348006553 1131126069 /nfs/dbraw/zinc/12/60/69/1131126069.db2.gz HULMPJZJWCQLET-GFCCVEGCSA-N 1 2 342.420 3.623 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000626093558 1131153053 /nfs/dbraw/zinc/15/30/53/1131153053.db2.gz DLCPGEOCGMUBCN-VBSBHUPXSA-N 1 2 337.467 3.877 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000734145030 1131203789 /nfs/dbraw/zinc/20/37/89/1131203789.db2.gz IUWBQDSIUJMTBN-MRXNPFEDSA-N 1 2 345.516 3.537 20 0 EHADLO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000734145030 1131203795 /nfs/dbraw/zinc/20/37/95/1131203795.db2.gz IUWBQDSIUJMTBN-MRXNPFEDSA-N 1 2 345.516 3.537 20 0 EHADLO CC(C)c1ccc(NC(=O)C[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000828051964 1131416726 /nfs/dbraw/zinc/41/67/26/1131416726.db2.gz LMUHDKCXDPKLTH-UHFFFAOYSA-N 1 2 327.428 3.616 20 0 EHADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627233 1131428384 /nfs/dbraw/zinc/42/83/84/1131428384.db2.gz DQBXREOORBDYMP-XXAQJILISA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627233 1131428388 /nfs/dbraw/zinc/42/83/88/1131428388.db2.gz DQBXREOORBDYMP-XXAQJILISA-N 1 2 327.449 3.927 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nc([C@@H](C)OCC)no1 ZINC000736604085 1131428505 /nfs/dbraw/zinc/42/85/05/1131428505.db2.gz AOGWXBKAMFUNCZ-CYBMUJFWSA-N 1 2 343.431 3.777 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)c(F)c1 ZINC000828489554 1131457949 /nfs/dbraw/zinc/45/79/49/1131457949.db2.gz QUJYFLZONLPNGB-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)c(F)c1 ZINC000828489554 1131457952 /nfs/dbraw/zinc/45/79/52/1131457952.db2.gz QUJYFLZONLPNGB-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO CC[N@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1CCC1 ZINC000738051601 1131460839 /nfs/dbraw/zinc/46/08/39/1131460839.db2.gz AVKBSSQWKBWBEM-UHFFFAOYSA-N 1 2 329.473 3.643 20 0 EHADLO CC[N@@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1CCC1 ZINC000738051601 1131460843 /nfs/dbraw/zinc/46/08/43/1131460843.db2.gz AVKBSSQWKBWBEM-UHFFFAOYSA-N 1 2 329.473 3.643 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000738306810 1131467403 /nfs/dbraw/zinc/46/74/03/1131467403.db2.gz YMINODDJSWAEHZ-SFHVURJKSA-N 1 2 346.471 3.725 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccnc(Cl)c2)cn1 ZINC000738307807 1131467587 /nfs/dbraw/zinc/46/75/87/1131467587.db2.gz ALJOBSAMFUDKBI-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccnc(Cl)c2)cn1 ZINC000738307807 1131467589 /nfs/dbraw/zinc/46/75/89/1131467589.db2.gz ALJOBSAMFUDKBI-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO CCCCCC[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000740749492 1131541432 /nfs/dbraw/zinc/54/14/32/1131541432.db2.gz AOEOVWNJKOLUBY-KRWDZBQOSA-N 1 2 332.488 3.608 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000740853993 1131548603 /nfs/dbraw/zinc/54/86/03/1131548603.db2.gz JZBNHKUVXGYLAV-XLIONFOSSA-N 1 2 346.446 3.731 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000740853993 1131548606 /nfs/dbraw/zinc/54/86/06/1131548606.db2.gz JZBNHKUVXGYLAV-XLIONFOSSA-N 1 2 346.446 3.731 20 0 EHADLO CCC[N@H+](CC1OCCO1)[C@@H](C)c1ccccc1Br ZINC000741156899 1131581329 /nfs/dbraw/zinc/58/13/29/1131581329.db2.gz KKWVPWPLPNOXCZ-LBPRGKRZSA-N 1 2 328.250 3.595 20 0 EHADLO CCC[N@@H+](CC1OCCO1)[C@@H](C)c1ccccc1Br ZINC000741156899 1131581333 /nfs/dbraw/zinc/58/13/33/1131581333.db2.gz KKWVPWPLPNOXCZ-LBPRGKRZSA-N 1 2 328.250 3.595 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146816 1131583331 /nfs/dbraw/zinc/58/33/31/1131583331.db2.gz CIZSZVMACQSHHW-QGZVFWFLSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146816 1131583334 /nfs/dbraw/zinc/58/33/34/1131583334.db2.gz CIZSZVMACQSHHW-QGZVFWFLSA-N 1 2 348.830 3.913 20 0 EHADLO O=C(Oc1cccc2ccccc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741170655 1131583927 /nfs/dbraw/zinc/58/39/27/1131583927.db2.gz SCIABRISAHCZJH-OAQYLSRUSA-N 1 2 347.414 3.646 20 0 EHADLO O=C(Oc1cccc2ccccc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741170655 1131583929 /nfs/dbraw/zinc/58/39/29/1131583929.db2.gz SCIABRISAHCZJH-OAQYLSRUSA-N 1 2 347.414 3.646 20 0 EHADLO O=C(OCc1ccnc(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741354709 1131598469 /nfs/dbraw/zinc/59/84/69/1131598469.db2.gz UFEINPYSTCXYLD-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1ccnc(Cl)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741354709 1131598473 /nfs/dbraw/zinc/59/84/73/1131598473.db2.gz UFEINPYSTCXYLD-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO CCOc1ccc(Cl)c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001212574452 1131631940 /nfs/dbraw/zinc/63/19/40/1131631940.db2.gz GNWAFAHCPUUPMU-UHFFFAOYSA-N 1 2 347.846 3.838 20 0 EHADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000741773951 1131645460 /nfs/dbraw/zinc/64/54/60/1131645460.db2.gz CKDGWDLOXDLGCW-CYBMUJFWSA-N 1 2 332.469 3.817 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=S)NC(C)(C)C)CC1 ZINC000741877123 1131663495 /nfs/dbraw/zinc/66/34/95/1131663495.db2.gz XBHMCVYSXCLQBY-CYBMUJFWSA-N 1 2 339.936 3.692 20 0 EHADLO O=C(CSc1nc2ccccc2s1)Nc1cccc2[nH+]ccn21 ZINC000741970172 1131677913 /nfs/dbraw/zinc/67/79/13/1131677913.db2.gz WNXKFSGQXMYMOC-UHFFFAOYSA-N 1 2 340.433 3.675 20 0 EHADLO CCC[NH+](CCC)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742145482 1131690566 /nfs/dbraw/zinc/69/05/66/1131690566.db2.gz VTWIKURPDVGOHY-UHFFFAOYSA-N 1 2 326.416 3.965 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(N(C)C)sc2=S)CC[C@H]1c1ccccc1 ZINC000742164387 1131691881 /nfs/dbraw/zinc/69/18/81/1131691881.db2.gz HHUUENMBTCFPRT-DZGCQCFKSA-N 1 2 348.541 3.823 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(N(C)C)sc2=S)CC[C@H]1c1ccccc1 ZINC000742164387 1131691882 /nfs/dbraw/zinc/69/18/82/1131691882.db2.gz HHUUENMBTCFPRT-DZGCQCFKSA-N 1 2 348.541 3.823 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000742160493 1131694830 /nfs/dbraw/zinc/69/48/30/1131694830.db2.gz CZNIYZUMSRVONQ-IBGZPJMESA-N 1 2 343.377 3.654 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000742160493 1131694832 /nfs/dbraw/zinc/69/48/32/1131694832.db2.gz CZNIYZUMSRVONQ-IBGZPJMESA-N 1 2 343.377 3.654 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000742157223 1131695251 /nfs/dbraw/zinc/69/52/51/1131695251.db2.gz PNMXDIUSVIWHGI-HXUWFJFHSA-N 1 2 337.467 3.615 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000742157223 1131695253 /nfs/dbraw/zinc/69/52/53/1131695253.db2.gz PNMXDIUSVIWHGI-HXUWFJFHSA-N 1 2 337.467 3.615 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000742468741 1131733659 /nfs/dbraw/zinc/73/36/59/1131733659.db2.gz IYUVMIVLQCUWQR-AHKGRUIUSA-N 1 2 338.451 3.549 20 0 EHADLO CC(C)COCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172485858 1131740285 /nfs/dbraw/zinc/74/02/85/1131740285.db2.gz ZNHBXFRVKCAXBM-KDOFPFPSSA-N 1 2 327.415 3.789 20 0 EHADLO CC(C)COCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172485858 1131740287 /nfs/dbraw/zinc/74/02/87/1131740287.db2.gz ZNHBXFRVKCAXBM-KDOFPFPSSA-N 1 2 327.415 3.789 20 0 EHADLO Cc1ccc2nc(Nc3ccc(C[NH+]4CC(O)C4)cc3)sc2c1 ZINC001212664636 1131755636 /nfs/dbraw/zinc/75/56/36/1131755636.db2.gz XCCBLJVTPQDKKI-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO Cc1nc2cc(Nc3ccc(C[NH+]4CC(O)C4)cc3)ccc2s1 ZINC001212668354 1131765724 /nfs/dbraw/zinc/76/57/24/1131765724.db2.gz UXWUDMGJOHUHPU-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)[C@H]2C ZINC001172558269 1131770065 /nfs/dbraw/zinc/77/00/65/1131770065.db2.gz IERCNAQMRDJOMD-CGTJXYLNSA-N 1 2 325.456 3.742 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)[C@H]2C ZINC001172558269 1131770069 /nfs/dbraw/zinc/77/00/69/1131770069.db2.gz IERCNAQMRDJOMD-CGTJXYLNSA-N 1 2 325.456 3.742 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@@H](C)CCc2c(F)cc(Cl)cc2F)no1 ZINC001172570498 1131776609 /nfs/dbraw/zinc/77/66/09/1131776609.db2.gz IKGZGWTWZVBCEK-VIFPVBQESA-N 1 2 329.778 3.763 20 0 EHADLO Cc1nc(C[N@H+](C)[C@@H](C)CCc2c(F)cc(Cl)cc2F)no1 ZINC001172570498 1131776612 /nfs/dbraw/zinc/77/66/12/1131776612.db2.gz IKGZGWTWZVBCEK-VIFPVBQESA-N 1 2 329.778 3.763 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F)C(C)C ZINC001172575710 1131779385 /nfs/dbraw/zinc/77/93/85/1131779385.db2.gz JTTCPFMZIZPRRY-BONVTDFDSA-N 1 2 333.806 3.727 20 0 EHADLO Oc1cc(Cl)c(Cl)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670154 1131779571 /nfs/dbraw/zinc/77/95/71/1131779571.db2.gz JJTSICCGHWEQNI-UHFFFAOYSA-N 1 2 339.222 3.619 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(C(F)(F)F)c(F)c3)cc2)C1 ZINC001212670284 1131780858 /nfs/dbraw/zinc/78/08/58/1131780858.db2.gz PQTHBRZAZWTJPD-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO COC[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCc1ccccc1 ZINC001172723910 1131823624 /nfs/dbraw/zinc/82/36/24/1131823624.db2.gz KUJDWRZBYYNQNP-IBGZPJMESA-N 1 2 345.483 3.837 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724577 1131825946 /nfs/dbraw/zinc/82/59/46/1131825946.db2.gz WLKRLNXWUMMASE-GOSISDBHSA-N 1 2 330.472 3.648 20 0 EHADLO Cc1ccc2c(c1)C[C@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)CC2 ZINC001172837516 1131858064 /nfs/dbraw/zinc/85/80/64/1131858064.db2.gz GTKFOFKLYFWRFU-MOPGFXCFSA-N 1 2 334.454 3.658 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC001172867777 1131862163 /nfs/dbraw/zinc/86/21/63/1131862163.db2.gz AEZCZYGVHHRENI-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000743219769 1131876866 /nfs/dbraw/zinc/87/68/66/1131876866.db2.gz BVQORELQGYVQFT-LBPRGKRZSA-N 1 2 349.504 3.874 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000743356548 1131899650 /nfs/dbraw/zinc/89/96/50/1131899650.db2.gz SEADRWZLILHNQH-QZTJIDSGSA-N 1 2 341.842 3.803 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000743356548 1131899658 /nfs/dbraw/zinc/89/96/58/1131899658.db2.gz SEADRWZLILHNQH-QZTJIDSGSA-N 1 2 341.842 3.803 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)C1=O ZINC000743374200 1131904843 /nfs/dbraw/zinc/90/48/43/1131904843.db2.gz PAVXXFQUGVNXMJ-CFLQYTFWSA-N 1 2 346.446 3.587 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)C1=O ZINC000743374200 1131904844 /nfs/dbraw/zinc/90/48/44/1131904844.db2.gz PAVXXFQUGVNXMJ-CFLQYTFWSA-N 1 2 346.446 3.587 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000743347649 1131905312 /nfs/dbraw/zinc/90/53/12/1131905312.db2.gz FDAWCVZLETUNJZ-UHFFFAOYSA-N 1 2 338.373 3.782 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000743347649 1131905317 /nfs/dbraw/zinc/90/53/17/1131905317.db2.gz FDAWCVZLETUNJZ-UHFFFAOYSA-N 1 2 338.373 3.782 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+]2CCC3(C2)CCOCC3)c(=S)o1 ZINC000743405708 1131916734 /nfs/dbraw/zinc/91/67/34/1131916734.db2.gz OFKMLTZDAIKGQW-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+]2CCC3(C2)CCOCC3)c(=S)o1 ZINC000743405708 1131916741 /nfs/dbraw/zinc/91/67/41/1131916741.db2.gz OFKMLTZDAIKGQW-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO Oc1cc(Br)cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692414 1131919598 /nfs/dbraw/zinc/91/95/98/1131919598.db2.gz RZEQQVCTOUGACT-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO CCOC(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cnc1C ZINC001212694055 1131921648 /nfs/dbraw/zinc/92/16/48/1131921648.db2.gz HLBSFMVIJPHBRJ-UHFFFAOYSA-N 1 2 336.395 3.555 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000743490346 1131933378 /nfs/dbraw/zinc/93/33/78/1131933378.db2.gz NZKSBPAQBNIACA-NXHRZFHOSA-N 1 2 333.472 3.783 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000743490344 1131933687 /nfs/dbraw/zinc/93/36/87/1131933687.db2.gz NZKSBPAQBNIACA-JQHSSLGASA-N 1 2 333.472 3.783 20 0 EHADLO CC1(C)CNC(=O)c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC001212700097 1131935462 /nfs/dbraw/zinc/93/54/62/1131935462.db2.gz SPYCUOISYIJIJP-UHFFFAOYSA-N 1 2 346.434 3.696 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000743564810 1131942512 /nfs/dbraw/zinc/94/25/12/1131942512.db2.gz JQDWUYWBJFZILM-RBUKOAKNSA-N 1 2 338.455 3.640 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084612 1131962455 /nfs/dbraw/zinc/96/24/55/1131962455.db2.gz BRTOYEGYJFEBDD-STQMWFEESA-N 1 2 347.377 3.838 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001173085931 1131964723 /nfs/dbraw/zinc/96/47/23/1131964723.db2.gz LGINLPATJSNJIZ-WFASDCNBSA-N 1 2 347.377 3.694 20 0 EHADLO Cc1ccc([C@H](C)C(=O)OCCOCCCc2cccc(C)[nH+]2)o1 ZINC000744134458 1132027592 /nfs/dbraw/zinc/02/75/92/1132027592.db2.gz SBCMQYKWHKNSMM-INIZCTEOSA-N 1 2 331.412 3.588 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000744161084 1132036168 /nfs/dbraw/zinc/03/61/68/1132036168.db2.gz XHYOBGMLFQQQMC-KKNUOHPOSA-N 1 2 342.468 3.736 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000744161084 1132036177 /nfs/dbraw/zinc/03/61/77/1132036177.db2.gz XHYOBGMLFQQQMC-KKNUOHPOSA-N 1 2 342.468 3.736 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C2CCCC2)CC1 ZINC000744412516 1132086845 /nfs/dbraw/zinc/08/68/45/1132086845.db2.gz QHLZWTPDCZFEEX-ZDUSSCGKSA-N 1 2 335.879 3.964 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000744432514 1132098145 /nfs/dbraw/zinc/09/81/45/1132098145.db2.gz ONFLCEKZJRATGB-OAHLLOKOSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000744432514 1132098152 /nfs/dbraw/zinc/09/81/52/1132098152.db2.gz ONFLCEKZJRATGB-OAHLLOKOSA-N 1 2 342.405 3.989 20 0 EHADLO COc1ccc(OC)c(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001173917945 1132173925 /nfs/dbraw/zinc/17/39/25/1132173925.db2.gz KHBUTPNXYZFCTH-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC001174015302 1132203256 /nfs/dbraw/zinc/20/32/56/1132203256.db2.gz JMBBOUWNNXJAHX-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO O=C(c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1)N1CCCC1 ZINC001174067516 1132208647 /nfs/dbraw/zinc/20/86/47/1132208647.db2.gz RGANSCUXRFDTNU-UHFFFAOYSA-N 1 2 336.439 3.661 20 0 EHADLO Cc1ccc(F)c(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001174111880 1132231556 /nfs/dbraw/zinc/23/15/56/1132231556.db2.gz LMGHWXOWIJWQDG-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COC(=O)c1cccc(O)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382954 1132344649 /nfs/dbraw/zinc/34/46/49/1132344649.db2.gz FMXUJJBDDPDOTR-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO COC(=O)c1cccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1O ZINC001174383246 1132345270 /nfs/dbraw/zinc/34/52/70/1132345270.db2.gz KODRAWUJUKVERI-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO CCOC(=O)c1ncsc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382232 1132345364 /nfs/dbraw/zinc/34/53/64/1132345364.db2.gz FNKPTJNIECDABC-UHFFFAOYSA-N 1 2 330.413 3.994 20 0 EHADLO CC(C)c1cncc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174431820 1132352985 /nfs/dbraw/zinc/35/29/85/1132352985.db2.gz CYDYUHNIWXBSFY-UHFFFAOYSA-N 1 2 341.455 3.660 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc(C(C)(C)O)c3)c[nH+]2)C[C@H](C)O1 ZINC001174404360 1132363535 /nfs/dbraw/zinc/36/35/35/1132363535.db2.gz NNXTYJSYRUAGHH-GASCZTMLSA-N 1 2 341.455 3.666 20 0 EHADLO Brc1cc(Nc2ccnc3[nH]ccc32)cn2cc[nH+]c12 ZINC001174409945 1132365804 /nfs/dbraw/zinc/36/58/04/1132365804.db2.gz AUFUNAOAHBBPMT-UHFFFAOYSA-N 1 2 328.173 3.668 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746133993 1132381708 /nfs/dbraw/zinc/38/17/08/1132381708.db2.gz MOAZSYNPRULGBH-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746133993 1132381715 /nfs/dbraw/zinc/38/17/15/1132381715.db2.gz MOAZSYNPRULGBH-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO COC(=O)COc1ccc(Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC001174527574 1132383791 /nfs/dbraw/zinc/38/37/91/1132383791.db2.gz IFXAIBGNWIHSEK-UHFFFAOYSA-N 1 2 326.396 3.582 20 0 EHADLO NC(=O)c1ccc(Cl)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525048 1132401580 /nfs/dbraw/zinc/40/15/80/1132401580.db2.gz WVTZSUOUSGZRGC-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2cccc(F)c2C)[nH+]1 ZINC001174664980 1132443220 /nfs/dbraw/zinc/44/32/20/1132443220.db2.gz JOEFZDHVWRXZRR-TXEJJXNPSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1nc(Nc2cccc(F)c2C)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174664980 1132443223 /nfs/dbraw/zinc/44/32/23/1132443223.db2.gz JOEFZDHVWRXZRR-TXEJJXNPSA-N 1 2 330.407 3.590 20 0 EHADLO FC(F)(F)Oc1cc[nH+]c(Nc2ccc(N3CCOCC3)cc2)c1 ZINC001174708133 1132447979 /nfs/dbraw/zinc/44/79/79/1132447979.db2.gz XTJVVCJNMDYPIM-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3ccc4c(c3)OCO4)cn12 ZINC001174862847 1132490076 /nfs/dbraw/zinc/49/00/76/1132490076.db2.gz ZHVSWEHNFFHTLU-UHFFFAOYSA-N 1 2 332.157 3.569 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1C(F)(F)F ZINC001174977915 1132511446 /nfs/dbraw/zinc/51/14/46/1132511446.db2.gz ZSCHYGXYZMDRGB-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO Fc1cc(F)c(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC001174978301 1132517883 /nfs/dbraw/zinc/51/78/83/1132517883.db2.gz VHJFZROVKXEWBZ-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376286 1132526428 /nfs/dbraw/zinc/52/64/28/1132526428.db2.gz YIMNIWJMVDRQEO-DZGCQCFKSA-N 1 2 330.501 3.956 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376286 1132526429 /nfs/dbraw/zinc/52/64/29/1132526429.db2.gz YIMNIWJMVDRQEO-DZGCQCFKSA-N 1 2 330.501 3.956 20 0 EHADLO CCCCOc1ccccc1Nc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC001175000553 1132526911 /nfs/dbraw/zinc/52/69/11/1132526911.db2.gz STLZBTIFRNPFKR-UHFFFAOYSA-N 1 2 342.443 3.544 20 0 EHADLO CC(=O)c1cccc(Cl)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979802 1132534430 /nfs/dbraw/zinc/53/44/30/1132534430.db2.gz IIHVZYUBMRFTLP-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3ccc(F)cc3C(F)(F)F)c[nH+]2)C1 ZINC001175101290 1132553287 /nfs/dbraw/zinc/55/32/87/1132553287.db2.gz ZRBOMDUCTIFCOO-LBPRGKRZSA-N 1 2 341.308 3.554 20 0 EHADLO CC1=CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001168924839 1132606366 /nfs/dbraw/zinc/60/63/66/1132606366.db2.gz HYHOBDTVVINXRA-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO CC1=CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001168924839 1132606373 /nfs/dbraw/zinc/60/63/73/1132606373.db2.gz HYHOBDTVVINXRA-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO Cc1cc(Cl)cnc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212582580 1132607481 /nfs/dbraw/zinc/60/74/81/1132607481.db2.gz YAQHOXBRLOUTMW-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CSc1cccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001175289822 1132614604 /nfs/dbraw/zinc/61/46/04/1132614604.db2.gz YZRBGXNLRVJKBO-STQMWFEESA-N 1 2 344.484 3.864 20 0 EHADLO CN(C)c1ccc(Nc2cc(Br)c(Cl)cc2N)c[nH+]1 ZINC001175344052 1132627695 /nfs/dbraw/zinc/62/76/95/1132627695.db2.gz PFRZUHLEKQIASG-UHFFFAOYSA-N 1 2 341.640 3.889 20 0 EHADLO FCC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC001175301664 1132630562 /nfs/dbraw/zinc/63/05/62/1132630562.db2.gz ZNPWYOFXKJJASD-LJQANCHMSA-N 1 2 329.415 3.826 20 0 EHADLO FCC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC001175301664 1132630566 /nfs/dbraw/zinc/63/05/66/1132630566.db2.gz ZNPWYOFXKJJASD-LJQANCHMSA-N 1 2 329.415 3.826 20 0 EHADLO Nc1ccc(OC(F)(F)F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348095 1132630612 /nfs/dbraw/zinc/63/06/12/1132630612.db2.gz AQJHDPCMRUUFRY-UHFFFAOYSA-N 1 2 338.333 3.906 20 0 EHADLO COC(=O)c1cc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1C ZINC001175349396 1132639295 /nfs/dbraw/zinc/63/92/95/1132639295.db2.gz OMPFMCBFYGFALX-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO COC(=O)C1(c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)CC1 ZINC001175352681 1132646878 /nfs/dbraw/zinc/64/68/78/1132646878.db2.gz ZWMOQZYVMZOKCW-UHFFFAOYSA-N 1 2 337.423 3.630 20 0 EHADLO CCS(=O)(=O)c1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001175446504 1132667943 /nfs/dbraw/zinc/66/79/43/1132667943.db2.gz NZKKHNYONWPTMD-UHFFFAOYSA-N 1 2 346.839 3.847 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cc2cc(F)ccc2o1 ZINC001169157846 1132681982 /nfs/dbraw/zinc/68/19/82/1132681982.db2.gz ARTVBNTVOSXBJB-UHFFFAOYSA-N 1 2 349.365 3.865 20 0 EHADLO Cc1ccc2[nH]ncc2c1Nc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001175526773 1132700214 /nfs/dbraw/zinc/70/02/14/1132700214.db2.gz SQOVGYFGNPIXPP-UHFFFAOYSA-N 1 2 339.418 3.506 20 0 EHADLO Cc1ccc(CCCNc2c(Br)ccc3[nH+]ccn32)cn1 ZINC001169259957 1132712026 /nfs/dbraw/zinc/71/20/26/1132712026.db2.gz ZPOHFXQBBPMFOL-UHFFFAOYSA-N 1 2 345.244 3.845 20 0 EHADLO CCNC(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001175627016 1132717145 /nfs/dbraw/zinc/71/71/45/1132717145.db2.gz IMBBBCBJANOKMZ-UHFFFAOYSA-N 1 2 325.799 3.803 20 0 EHADLO Brc1cc(Nc2cccc3c[nH]nc32)cn2cc[nH+]c12 ZINC001175635547 1132719998 /nfs/dbraw/zinc/71/99/98/1132719998.db2.gz KTSUXBUFQKJGAH-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000766667321 1132727191 /nfs/dbraw/zinc/72/71/91/1132727191.db2.gz UPXFRKNWIQZIJT-GOSISDBHSA-N 1 2 341.842 3.876 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000766667321 1132727195 /nfs/dbraw/zinc/72/71/95/1132727195.db2.gz UPXFRKNWIQZIJT-GOSISDBHSA-N 1 2 341.842 3.876 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2csc(-c3ccncc3)n2)c[nH+]1 ZINC001175712015 1132740240 /nfs/dbraw/zinc/74/02/40/1132740240.db2.gz FTOIJEJBYJAZQV-UHFFFAOYSA-N 1 2 337.330 3.945 20 0 EHADLO Cc1c(Br)cncc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706233 1132753553 /nfs/dbraw/zinc/75/35/53/1132753553.db2.gz MHIRIOGJSMHXHB-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COC(=O)c1cc(C)sc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709633 1132755808 /nfs/dbraw/zinc/75/58/08/1132755808.db2.gz HSCXYWWSWVXIRE-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO COC(=O)c1cc2[nH+]c[nH]c2c(NCCc2coc3ccccc23)c1 ZINC001169600875 1132792904 /nfs/dbraw/zinc/79/29/04/1132792904.db2.gz WDTGCFVLXPFNAC-UHFFFAOYSA-N 1 2 335.363 3.750 20 0 EHADLO Oc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1Cl ZINC001212592365 1132811333 /nfs/dbraw/zinc/81/13/33/1132811333.db2.gz MMOAVKQMINULJG-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC001176086026 1132830893 /nfs/dbraw/zinc/83/08/93/1132830893.db2.gz BTOMLTTWQCXZIJ-IFXJQAMLSA-N 1 2 344.817 3.691 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC001176086026 1132830901 /nfs/dbraw/zinc/83/09/01/1132830901.db2.gz BTOMLTTWQCXZIJ-IFXJQAMLSA-N 1 2 344.817 3.691 20 0 EHADLO CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001176135696 1132843616 /nfs/dbraw/zinc/84/36/16/1132843616.db2.gz LNRRFMQGRCCTLC-UHFFFAOYSA-N 1 2 339.399 3.844 20 0 EHADLO COc1cc[nH+]cc1NCc1ccc(Br)c(Cl)n1 ZINC001169820184 1132868913 /nfs/dbraw/zinc/86/89/13/1132868913.db2.gz WWLFBVBRLPDXBG-UHFFFAOYSA-N 1 2 328.597 3.513 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766844305 1132869456 /nfs/dbraw/zinc/86/94/56/1132869456.db2.gz WIINFNBCMSYFSC-NSHDSACASA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766844305 1132869468 /nfs/dbraw/zinc/86/94/68/1132869468.db2.gz WIINFNBCMSYFSC-NSHDSACASA-N 1 2 345.270 3.800 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3nn(C)c4ccccc34)cc2)[nH+]c1C ZINC001176218905 1132879028 /nfs/dbraw/zinc/87/90/28/1132879028.db2.gz HDPKHPWLMZTXAB-UHFFFAOYSA-N 1 2 345.406 3.833 20 0 EHADLO CCOC(=O)c1cccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)n1 ZINC001169869462 1132886282 /nfs/dbraw/zinc/88/62/82/1132886282.db2.gz XIRRMQNZCCWATP-UHFFFAOYSA-N 1 2 342.443 3.907 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](C)[C@@H]3C)c2cc1C(C)C ZINC000766968608 1132924292 /nfs/dbraw/zinc/92/42/92/1132924292.db2.gz JKHLVSJSKMPSBL-LSDHHAIUSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](C)[C@@H]3C)c2cc1C(C)C ZINC000766968608 1132924295 /nfs/dbraw/zinc/92/42/95/1132924295.db2.gz JKHLVSJSKMPSBL-LSDHHAIUSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1ccc(C=CNc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001176422402 1132936304 /nfs/dbraw/zinc/93/63/04/1132936304.db2.gz JHSTUIDFRJRTON-MDZDMXLPSA-N 1 2 338.451 3.789 20 0 EHADLO CCOc1cc(Nc2ccc(CN3CCOCC3)cc2F)cc(C)[nH+]1 ZINC001176488553 1132945710 /nfs/dbraw/zinc/94/57/10/1132945710.db2.gz FTUCMOMGWKARAX-UHFFFAOYSA-N 1 2 345.418 3.504 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(F)c(C(=O)N(CC)CC)c2)c[nH+]1 ZINC001176515589 1132954148 /nfs/dbraw/zinc/95/41/48/1132954148.db2.gz RVPSBINYLWZOSP-UHFFFAOYSA-N 1 2 344.434 3.902 20 0 EHADLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(Cl)cc2F)cn1 ZINC001176534108 1132957608 /nfs/dbraw/zinc/95/76/08/1132957608.db2.gz VNJBFHDRIOJEAO-INIZCTEOSA-N 1 2 339.867 3.893 20 0 EHADLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(Cl)cc2F)cn1 ZINC001176534108 1132957614 /nfs/dbraw/zinc/95/76/14/1132957614.db2.gz VNJBFHDRIOJEAO-INIZCTEOSA-N 1 2 339.867 3.893 20 0 EHADLO CC[N@H+](CCC(=O)C1CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000767359326 1132988605 /nfs/dbraw/zinc/98/86/05/1132988605.db2.gz GOGSIMSIPAENIY-UHFFFAOYSA-N 1 2 343.254 3.623 20 0 EHADLO CC[N@@H+](CCC(=O)C1CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000767359326 1132988612 /nfs/dbraw/zinc/98/86/12/1132988612.db2.gz GOGSIMSIPAENIY-UHFFFAOYSA-N 1 2 343.254 3.623 20 0 EHADLO c1nn2cc(Nc3ccc[nH+]c3N3CCCC3)cnc2c1C1CCC1 ZINC001176749206 1132991816 /nfs/dbraw/zinc/99/18/16/1132991816.db2.gz ZSOHFAYFQNGOOD-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO CCOC(=O)c1cc(Cl)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749337 1132992288 /nfs/dbraw/zinc/99/22/88/1132992288.db2.gz AYQHDEYVIXUZMA-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO Nc1ccc(-c2cc3cc(NC(=O)CCn4cc[nH+]c4)ccc3o2)cc1 ZINC001176878653 1133006849 /nfs/dbraw/zinc/00/68/49/1133006849.db2.gz CYUWRZGXUYZRAP-UHFFFAOYSA-N 1 2 346.390 3.907 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000767964178 1133078435 /nfs/dbraw/zinc/07/84/35/1133078435.db2.gz FDZZBBCVESVVBC-MAUKXSAKSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000767964178 1133078438 /nfs/dbraw/zinc/07/84/38/1133078438.db2.gz FDZZBBCVESVVBC-MAUKXSAKSA-N 1 2 334.847 3.610 20 0 EHADLO Fc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1F ZINC001204201435 1133090103 /nfs/dbraw/zinc/09/01/03/1133090103.db2.gz XJQWEWXEBMOSGY-OAHLLOKOSA-N 1 2 330.369 3.660 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000768132404 1133100200 /nfs/dbraw/zinc/10/02/00/1133100200.db2.gz HICGYZRWGUJVPH-LBPRGKRZSA-N 1 2 343.427 3.794 20 0 EHADLO C[C@H](C(=O)N1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12)n1cc[nH+]c1 ZINC001177925499 1133113819 /nfs/dbraw/zinc/11/38/19/1133113819.db2.gz KKRZNPJURNMWSA-QPJICYPMSA-N 1 2 343.430 3.847 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000768236856 1133116171 /nfs/dbraw/zinc/11/61/71/1133116171.db2.gz KASHBKHRPHHCBI-HXUWFJFHSA-N 1 2 349.430 3.670 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000768236856 1133116174 /nfs/dbraw/zinc/11/61/74/1133116174.db2.gz KASHBKHRPHHCBI-HXUWFJFHSA-N 1 2 349.430 3.670 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001177996997 1133122383 /nfs/dbraw/zinc/12/23/83/1133122383.db2.gz UDXNUFWLMXZXJT-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000768354106 1133128417 /nfs/dbraw/zinc/12/84/17/1133128417.db2.gz XMQCUBKPRVCZAG-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000768354106 1133128420 /nfs/dbraw/zinc/12/84/20/1133128420.db2.gz XMQCUBKPRVCZAG-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO c1nn(C[NH+]2CCSCC2)c2c1cccc2OCc1ccccc1 ZINC000768484084 1133142746 /nfs/dbraw/zinc/14/27/46/1133142746.db2.gz SOKYBQBYASIBOO-UHFFFAOYSA-N 1 2 339.464 3.622 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](CN3C[C@@H](C(C)C)CC3=O)CC2)cc1 ZINC000768470571 1133145265 /nfs/dbraw/zinc/14/52/65/1133145265.db2.gz KAGARTGLDQQTMJ-IBGZPJMESA-N 1 2 342.483 3.636 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](CN3C[C@@H](C(C)C)CC3=O)CC2)cc1 ZINC000768470571 1133145268 /nfs/dbraw/zinc/14/52/68/1133145268.db2.gz KAGARTGLDQQTMJ-IBGZPJMESA-N 1 2 342.483 3.636 20 0 EHADLO Cc1nc(-c2ccc(C)c(NCc3c[nH+]c4c(C)cccn34)c2)n[nH]1 ZINC001178228357 1133148875 /nfs/dbraw/zinc/14/88/75/1133148875.db2.gz CTHSNDOMQRLXND-UHFFFAOYSA-N 1 2 332.411 3.657 20 0 EHADLO COc1cc(N[C@H]2CCC[N@H+](C/C(Cl)=C\Cl)C2)cc(OC)c1 ZINC000768553704 1133155181 /nfs/dbraw/zinc/15/51/81/1133155181.db2.gz QYNZLCPFRAJRMJ-SRXBQZRASA-N 1 2 345.270 3.899 20 0 EHADLO COc1cc(N[C@H]2CCC[N@@H+](C/C(Cl)=C\Cl)C2)cc(OC)c1 ZINC000768553704 1133155183 /nfs/dbraw/zinc/15/51/83/1133155183.db2.gz QYNZLCPFRAJRMJ-SRXBQZRASA-N 1 2 345.270 3.899 20 0 EHADLO Clc1cc2c(cc1NCc1cccc3[nH+]ccn31)OCCCO2 ZINC001178417453 1133168695 /nfs/dbraw/zinc/16/86/95/1133168695.db2.gz XVIOKQYKFLRBQM-UHFFFAOYSA-N 1 2 329.787 3.761 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000768888774 1133197210 /nfs/dbraw/zinc/19/72/10/1133197210.db2.gz MKPJICOVRSDSCI-UHFFFAOYSA-N 1 2 340.254 3.710 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000768888774 1133197213 /nfs/dbraw/zinc/19/72/13/1133197213.db2.gz MKPJICOVRSDSCI-UHFFFAOYSA-N 1 2 340.254 3.710 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922620 1133213750 /nfs/dbraw/zinc/21/37/50/1133213750.db2.gz QGCUDZJYSCYUST-BENRWUELSA-N 1 2 329.831 3.662 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc(-n3cccc3)ccc2Cl)[nH+]1 ZINC001179095848 1133228490 /nfs/dbraw/zinc/22/84/90/1133228490.db2.gz PFXPAXQNKZWTSW-UHFFFAOYSA-N 1 2 342.830 3.907 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc(-n3cccc3)ccc2Cl)c[nH+]1 ZINC001179095848 1133228496 /nfs/dbraw/zinc/22/84/96/1133228496.db2.gz PFXPAXQNKZWTSW-UHFFFAOYSA-N 1 2 342.830 3.907 20 0 EHADLO CCON(CC)C(=O)C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC001179165497 1133234449 /nfs/dbraw/zinc/23/44/49/1133234449.db2.gz TYIZACCUXKWSDA-UHFFFAOYSA-N 1 2 339.650 3.536 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(CC2CCCCC2)CC1 ZINC001179389472 1133250070 /nfs/dbraw/zinc/25/00/70/1133250070.db2.gz KAKIBHXELOTMQN-SFHVURJKSA-N 1 2 329.488 3.655 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2cccc3cnccc32)n1 ZINC001179578861 1133260692 /nfs/dbraw/zinc/26/06/92/1133260692.db2.gz ASIOOECDEHKZEM-UHFFFAOYSA-N 1 2 348.381 3.638 20 0 EHADLO CCc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1O ZINC001179614834 1133265265 /nfs/dbraw/zinc/26/52/65/1133265265.db2.gz VWQQKCLEJNTRPM-UHFFFAOYSA-N 1 2 345.349 3.530 20 0 EHADLO Fc1cccc(/C=C/C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC001179579859 1133265616 /nfs/dbraw/zinc/26/56/16/1133265616.db2.gz WPTSSDUBKHAHNX-GQCTYLIASA-N 1 2 341.361 3.742 20 0 EHADLO COc1c(Cl)cccc1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001179685041 1133270044 /nfs/dbraw/zinc/27/00/44/1133270044.db2.gz AYBTUPUZJPIDPM-UHFFFAOYSA-N 1 2 336.222 3.940 20 0 EHADLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000769485376 1133290747 /nfs/dbraw/zinc/29/07/47/1133290747.db2.gz OWPGHDZSOAKWKP-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000769485376 1133290749 /nfs/dbraw/zinc/29/07/49/1133290749.db2.gz OWPGHDZSOAKWKP-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000769531534 1133310166 /nfs/dbraw/zinc/31/01/66/1133310166.db2.gz CCTFEQGQZWISHW-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000769531534 1133310174 /nfs/dbraw/zinc/31/01/74/1133310174.db2.gz CCTFEQGQZWISHW-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO CN1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C(C)(C)C1 ZINC001179956313 1133312399 /nfs/dbraw/zinc/31/23/99/1133312399.db2.gz FWTVLLZNNGLFKY-UHFFFAOYSA-N 1 2 337.439 3.614 20 0 EHADLO CN1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C(C)(C)C1 ZINC001179956313 1133312403 /nfs/dbraw/zinc/31/24/03/1133312403.db2.gz FWTVLLZNNGLFKY-UHFFFAOYSA-N 1 2 337.439 3.614 20 0 EHADLO CCCn1c[nH+]cc1CN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC001179969656 1133315240 /nfs/dbraw/zinc/31/52/40/1133315240.db2.gz JZSVTNBQHJHSTP-LJQANCHMSA-N 1 2 337.471 3.907 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@H+](C)CCCCc2ccccc2)s1 ZINC001180240050 1133350131 /nfs/dbraw/zinc/35/01/31/1133350131.db2.gz SMVAXVVXARWOEK-CQSZACIVSA-N 1 2 332.469 3.945 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@@H+](C)CCCCc2ccccc2)s1 ZINC001180240050 1133350139 /nfs/dbraw/zinc/35/01/39/1133350139.db2.gz SMVAXVVXARWOEK-CQSZACIVSA-N 1 2 332.469 3.945 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)cs1 ZINC000150919552 1133362181 /nfs/dbraw/zinc/36/21/81/1133362181.db2.gz KMOGQCLDUPBHJD-KRWDZBQOSA-N 1 2 346.496 3.862 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@H](C)c3ccncc3)cc12 ZINC000769933426 1133369178 /nfs/dbraw/zinc/36/91/78/1133369178.db2.gz ZXMWLUAPMDONFI-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@H](C)c3ccncc3)cc12 ZINC000769933426 1133369175 /nfs/dbraw/zinc/36/91/75/1133369175.db2.gz ZXMWLUAPMDONFI-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+](C)CC(=O)NC(C)C ZINC001180514831 1133379861 /nfs/dbraw/zinc/37/98/61/1133379861.db2.gz VGCPPBNSRYWKHX-UHFFFAOYSA-N 1 2 340.467 3.627 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)CC(=O)NC(C)C ZINC001180514831 1133379867 /nfs/dbraw/zinc/37/98/67/1133379867.db2.gz VGCPPBNSRYWKHX-UHFFFAOYSA-N 1 2 340.467 3.627 20 0 EHADLO Cc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001180520138 1133381595 /nfs/dbraw/zinc/38/15/95/1133381595.db2.gz FEUYYHRREJSEAR-QGZVFWFLSA-N 1 2 349.434 3.607 20 0 EHADLO COc1ccc(N(C(=O)c2cccc3[nH+]ccn32)C(C)C)cc1F ZINC000770076955 1133385341 /nfs/dbraw/zinc/38/53/41/1133385341.db2.gz FIOMGPTUVFIEJQ-UHFFFAOYSA-N 1 2 327.359 3.537 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350780 1133419757 /nfs/dbraw/zinc/41/97/57/1133419757.db2.gz PIVRWTBQIZIIOF-QMTHXVAHSA-N 1 2 340.254 3.551 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350780 1133419760 /nfs/dbraw/zinc/41/97/60/1133419760.db2.gz PIVRWTBQIZIIOF-QMTHXVAHSA-N 1 2 340.254 3.551 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)C1(c2ccc(Cl)cc2Cl)CC1 ZINC001180854365 1133420470 /nfs/dbraw/zinc/42/04/70/1133420470.db2.gz RTAFKYIAENLKIA-UHFFFAOYSA-N 1 2 347.245 3.969 20 0 EHADLO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ncc(Br)cc1O ZINC001181204037 1133467257 /nfs/dbraw/zinc/46/72/57/1133467257.db2.gz AMVBPLDCEAAJNW-NSHDSACASA-N 1 2 327.266 3.950 20 0 EHADLO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ncc(Br)cc1O ZINC001181204037 1133467260 /nfs/dbraw/zinc/46/72/60/1133467260.db2.gz AMVBPLDCEAAJNW-NSHDSACASA-N 1 2 327.266 3.950 20 0 EHADLO Nc1cc(CC(=O)Nc2ccccc2-c2ccc(F)c(F)c2)cc[nH+]1 ZINC001181263346 1133474187 /nfs/dbraw/zinc/47/41/87/1133474187.db2.gz IZOUVZINXDIFBX-UHFFFAOYSA-N 1 2 339.345 3.790 20 0 EHADLO C[C@@H](Cc1ccccc1F)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001181350087 1133483318 /nfs/dbraw/zinc/48/33/18/1133483318.db2.gz PXJFDEBJSLVODK-HRCADAONSA-N 1 2 343.446 3.877 20 0 EHADLO O=C(CCc1ncc(-c2ccccc2)o1)OCc1cccc2[nH+]ccn21 ZINC000770920528 1133483766 /nfs/dbraw/zinc/48/37/66/1133483766.db2.gz KNHHIMRGTWXWCL-UHFFFAOYSA-N 1 2 347.374 3.665 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1Cl ZINC001181505401 1133494908 /nfs/dbraw/zinc/49/49/08/1133494908.db2.gz FUJPENAYFZZKQN-ABAIWWIYSA-N 1 2 332.271 3.983 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1Cl ZINC001181505401 1133494911 /nfs/dbraw/zinc/49/49/11/1133494911.db2.gz FUJPENAYFZZKQN-ABAIWWIYSA-N 1 2 332.271 3.983 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOCC23CCCCC3)c(F)cc1OC ZINC001181787401 1133527735 /nfs/dbraw/zinc/52/77/35/1133527735.db2.gz SELXLJGFPYSTPC-UHFFFAOYSA-N 1 2 337.435 3.768 20 0 EHADLO CCOc1cc(C[N@H+]2CCOCC23CCCCC3)c(F)cc1OC ZINC001181787401 1133527739 /nfs/dbraw/zinc/52/77/39/1133527739.db2.gz SELXLJGFPYSTPC-UHFFFAOYSA-N 1 2 337.435 3.768 20 0 EHADLO Cc1[nH+]c(NCc2c(Cl)ccnc2F)ccc1-c1cnn(C)c1 ZINC001181944381 1133553936 /nfs/dbraw/zinc/55/39/36/1133553936.db2.gz CGVMGCSSZCVCNP-UHFFFAOYSA-N 1 2 331.782 3.590 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C2)c(O)c1Cl ZINC001181982552 1133557173 /nfs/dbraw/zinc/55/71/73/1133557173.db2.gz DBCMABVWVUOCCI-JTQLQIEISA-N 1 2 331.243 3.676 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C2)c(O)c1Cl ZINC001181982552 1133557176 /nfs/dbraw/zinc/55/71/76/1133557176.db2.gz DBCMABVWVUOCCI-JTQLQIEISA-N 1 2 331.243 3.676 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCCCOc1cccc2ccccc21 ZINC000771664559 1133581007 /nfs/dbraw/zinc/58/10/07/1133581007.db2.gz KMLFIYJUSFPTAB-UHFFFAOYSA-N 1 2 335.407 3.745 20 0 EHADLO Cc1cccc(COc2cccc(C(=O)OCCn3cc[nH+]c3)c2)c1 ZINC000771898104 1133612970 /nfs/dbraw/zinc/61/29/70/1133612970.db2.gz MEDWQDLWUJNKKJ-UHFFFAOYSA-N 1 2 336.391 3.628 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)OCCn1cc[nH+]c1 ZINC000771972616 1133622159 /nfs/dbraw/zinc/62/21/59/1133622159.db2.gz IXWINBYRQSIEFA-FQEVSTJZSA-N 1 2 334.419 3.843 20 0 EHADLO C[C@@H](C(=O)OCc1cccc2[nH+]ccn21)c1cn(C)c2ccccc12 ZINC000774206431 1133634900 /nfs/dbraw/zinc/63/49/00/1133634900.db2.gz COLXJYWDVPFUCV-CQSZACIVSA-N 1 2 333.391 3.673 20 0 EHADLO FC1(F)Oc2ccc(C[NH2+]Cc3c(Cl)ccnc3Cl)cc2O1 ZINC001182533323 1133697922 /nfs/dbraw/zinc/69/79/22/1133697922.db2.gz NTEUIMJJGSRXBV-UHFFFAOYSA-N 1 2 347.148 4.000 20 0 EHADLO CCc1ccccc1CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000785545084 1133718907 /nfs/dbraw/zinc/71/89/07/1133718907.db2.gz CGBCYKGOWJAFDA-UHFFFAOYSA-N 1 2 331.485 3.729 20 0 EHADLO C[C@@H](C(=O)NC1C[NH+](C)C1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885414 1133743329 /nfs/dbraw/zinc/74/33/29/1133743329.db2.gz POJAWDHRSGEEEG-LLVKDONJSA-N 1 2 341.842 3.508 20 0 EHADLO C[C@H](C(=O)NC1C[NH+](C)C1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885415 1133743841 /nfs/dbraw/zinc/74/38/41/1133743841.db2.gz POJAWDHRSGEEEG-NSHDSACASA-N 1 2 341.842 3.508 20 0 EHADLO COc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001183030715 1133759328 /nfs/dbraw/zinc/75/93/28/1133759328.db2.gz PXTWNTZOGMYECO-MRXNPFEDSA-N 1 2 349.434 3.609 20 0 EHADLO C[C@@H](NC(=O)c1ccnc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019251 1133760990 /nfs/dbraw/zinc/76/09/90/1133760990.db2.gz WVFXQZKFEAYXLZ-OAHLLOKOSA-N 1 2 342.402 3.912 20 0 EHADLO CCCn1c[nH+]cc1CN[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC001183215883 1133779555 /nfs/dbraw/zinc/77/95/55/1133779555.db2.gz FABDXWTXJBQDDC-GOSISDBHSA-N 1 2 349.862 3.515 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)Cc2c(Cl)cccc2Cl)[nH+]1 ZINC001157119088 1133800255 /nfs/dbraw/zinc/80/02/55/1133800255.db2.gz JNKBISFTTOASLF-UHFFFAOYSA-N 1 2 326.227 3.699 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)Cc2c(Cl)cccc2Cl)c[nH+]1 ZINC001157119088 1133800261 /nfs/dbraw/zinc/80/02/61/1133800261.db2.gz JNKBISFTTOASLF-UHFFFAOYSA-N 1 2 326.227 3.699 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCOCC[C@@H]3C)c2=S)c1 ZINC000774650980 1133828599 /nfs/dbraw/zinc/82/85/99/1133828599.db2.gz STTBAMBXINCEBH-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCOCC[C@@H]3C)c2=S)c1 ZINC000774650980 1133828606 /nfs/dbraw/zinc/82/86/06/1133828606.db2.gz STTBAMBXINCEBH-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Clc1nc(N2CCCC2)sc1C[NH2+]Cc1cc(C2CC2)no1 ZINC001183768007 1133849905 /nfs/dbraw/zinc/84/99/05/1133849905.db2.gz FVZBZZYMFVYJAD-UHFFFAOYSA-N 1 2 338.864 3.552 20 0 EHADLO CN(C)c1cc(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc[nH+]1 ZINC000786488159 1133854322 /nfs/dbraw/zinc/85/43/22/1133854322.db2.gz QFPYQRJFKBWEPS-VXGBXAGGSA-N 1 2 336.844 3.709 20 0 EHADLO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc(O)c(F)c1F ZINC001183853585 1133865601 /nfs/dbraw/zinc/86/56/01/1133865601.db2.gz CAKOASODFJCPMZ-UHFFFAOYSA-N 1 2 335.394 3.936 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(O)c(F)c1F ZINC001183853585 1133865606 /nfs/dbraw/zinc/86/56/06/1133865606.db2.gz CAKOASODFJCPMZ-UHFFFAOYSA-N 1 2 335.394 3.936 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCn3nc(C(F)(F)F)cc3C2)cc1F ZINC001184106503 1133893784 /nfs/dbraw/zinc/89/37/84/1133893784.db2.gz RNLGXPQSFHBUSM-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCn3nc(C(F)(F)F)cc3C2)cc1F ZINC001184106503 1133893787 /nfs/dbraw/zinc/89/37/87/1133893787.db2.gz RNLGXPQSFHBUSM-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC(N(C)CC(F)F)CC1 ZINC000786790439 1133903667 /nfs/dbraw/zinc/90/36/67/1133903667.db2.gz ZAJWOUZVBQWAAY-UHFFFAOYSA-N 1 2 349.425 3.718 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)cnc2Cl)c1C ZINC000787458268 1134008618 /nfs/dbraw/zinc/00/86/18/1134008618.db2.gz SNXLUOZSORFEIP-UHFFFAOYSA-N 1 2 348.834 3.728 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccc(F)cc2)c1C ZINC000746684783 1134008824 /nfs/dbraw/zinc/00/88/24/1134008824.db2.gz GRDBXGKKNSDOBZ-UHFFFAOYSA-N 1 2 333.432 3.675 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc[nH+]c2N2CCCC2)c1C ZINC001184964571 1134008798 /nfs/dbraw/zinc/00/87/98/1134008798.db2.gz OMKQPAPUKQXXEZ-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184969186 1134009288 /nfs/dbraw/zinc/00/92/88/1134009288.db2.gz XGTGVDZCJRCKEZ-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO COCCOc1c(F)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185042759 1134023792 /nfs/dbraw/zinc/02/37/92/1134023792.db2.gz IOKPNXDUZAKKGP-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO C[C@H]1Cc2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2N(C)C1=O ZINC001185044585 1134024657 /nfs/dbraw/zinc/02/46/57/1134024657.db2.gz UTLRGWUFMDBKFW-AWEZNQCLSA-N 1 2 336.439 3.580 20 0 EHADLO COC(=O)c1c(C)ccc(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001185043857 1134025093 /nfs/dbraw/zinc/02/50/93/1134025093.db2.gz OUYKMYAUCGQESZ-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO S=c1n(-c2ccccc2)cnn1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000746715797 1134057229 /nfs/dbraw/zinc/05/72/29/1134057229.db2.gz JTBOMQQWHWDFDD-QGZVFWFLSA-N 1 2 336.464 3.850 20 0 EHADLO S=c1n(-c2ccccc2)cnn1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000746715797 1134057232 /nfs/dbraw/zinc/05/72/32/1134057232.db2.gz JTBOMQQWHWDFDD-QGZVFWFLSA-N 1 2 336.464 3.850 20 0 EHADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@@H](C)CCCC(C)C ZINC001170080734 1134062259 /nfs/dbraw/zinc/06/22/59/1134062259.db2.gz LPLLPHDUPMABGC-LPHOPBHVSA-N 1 2 348.535 3.714 20 0 EHADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@@H](C)CCCC(C)C ZINC001170080734 1134062265 /nfs/dbraw/zinc/06/22/65/1134062265.db2.gz LPLLPHDUPMABGC-LPHOPBHVSA-N 1 2 348.535 3.714 20 0 EHADLO CSc1cc(Oc2cccc(-n3cc[nH+]c3)c2)nc(SC)n1 ZINC001185439040 1134086131 /nfs/dbraw/zinc/08/61/31/1134086131.db2.gz NCSWWLZRCJCPGV-UHFFFAOYSA-N 1 2 330.438 3.898 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cccs1 ZINC000788239407 1134098790 /nfs/dbraw/zinc/09/87/90/1134098790.db2.gz BMWPWTPBGISFTG-CYBMUJFWSA-N 1 2 329.469 3.806 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cccs1 ZINC000788239407 1134098796 /nfs/dbraw/zinc/09/87/96/1134098796.db2.gz BMWPWTPBGISFTG-CYBMUJFWSA-N 1 2 329.469 3.806 20 0 EHADLO COc1ccc(O[C@H](C)CNc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC001185564950 1134106990 /nfs/dbraw/zinc/10/69/90/1134106990.db2.gz FEPZEUSXZKAWQX-CQSZACIVSA-N 1 2 327.428 3.941 20 0 EHADLO Clc1csc(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC001185707611 1134128131 /nfs/dbraw/zinc/12/81/31/1134128131.db2.gz DWOXJSSAOVXFNR-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)c(OC)c1 ZINC000788557857 1134142496 /nfs/dbraw/zinc/14/24/96/1134142496.db2.gz QRCLAORACITEOV-INIZCTEOSA-N 1 2 333.815 3.718 20 0 EHADLO O=C(C[C@H]1CCc2cc(F)ccc2C1)NCc1c[nH+]cn1C1CCC1 ZINC001186165515 1134173233 /nfs/dbraw/zinc/17/32/33/1134173233.db2.gz MPTKLPLMALSGBL-AWEZNQCLSA-N 1 2 341.430 3.559 20 0 EHADLO Cc1[nH+]cc(CN2CCCN2C(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000788840276 1134180459 /nfs/dbraw/zinc/18/04/59/1134180459.db2.gz KTVBFNYBZTZNFP-UHFFFAOYSA-N 1 2 342.443 3.539 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC4(CCCC4)CC3)[nH+]c12 ZINC000746776131 1134198503 /nfs/dbraw/zinc/19/85/03/1134198503.db2.gz OPEWIFWMJZIDQG-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO C[C@H](NC(=O)[C@H](C)OC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074686846 1134221773 /nfs/dbraw/zinc/22/17/73/1134221773.db2.gz CIPCGEAMHAJQIZ-HOTGVXAUSA-N 1 2 341.455 3.787 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@@H]1CC(F)(F)CC[N@H+]1[C@H](C)c1ccccc1 ZINC001187023713 1134284205 /nfs/dbraw/zinc/28/42/05/1134284205.db2.gz VMYMORNTBMKABV-HIFRSBDPSA-N 1 2 348.397 3.518 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@@H]1CC(F)(F)CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001187023713 1134284209 /nfs/dbraw/zinc/28/42/09/1134284209.db2.gz VMYMORNTBMKABV-HIFRSBDPSA-N 1 2 348.397 3.518 20 0 EHADLO c1ccc(-c2cccnc2)c(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC001170111650 1134300414 /nfs/dbraw/zinc/30/04/14/1134300414.db2.gz OLOBMXQIZOBZQT-UHFFFAOYSA-N 1 2 346.434 3.592 20 0 EHADLO C/C(=C\C(=O)OCCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000789773136 1134337789 /nfs/dbraw/zinc/33/77/89/1134337789.db2.gz UOYXSLGXMHUEGT-FMIVXFBMSA-N 1 2 338.329 3.628 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(C(C)=O)c2)n1 ZINC000789904568 1134348125 /nfs/dbraw/zinc/34/81/25/1134348125.db2.gz SDXQSOYUTXRUAY-UHFFFAOYSA-N 1 2 345.468 3.748 20 0 EHADLO CCc1cnc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)s1 ZINC000775130241 1134354155 /nfs/dbraw/zinc/35/41/55/1134354155.db2.gz KGSHVJDEZADYKX-UHFFFAOYSA-N 1 2 336.888 3.843 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](COCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001170125980 1134361497 /nfs/dbraw/zinc/36/14/97/1134361497.db2.gz QNRUOGGSLFQNNU-NJAFHUGGSA-N 1 2 333.472 3.692 20 0 EHADLO CCc1ncc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)s1 ZINC000746882159 1134376028 /nfs/dbraw/zinc/37/60/28/1134376028.db2.gz UKBNZBLSOJVLKP-UHFFFAOYSA-N 1 2 326.425 3.965 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3cc(C)ccc3C2)C1 ZINC000790447238 1134419648 /nfs/dbraw/zinc/41/96/48/1134419648.db2.gz PJJYMEKBTCSPBE-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3cc(C)ccc3C2)C1 ZINC000790447238 1134419651 /nfs/dbraw/zinc/41/96/51/1134419651.db2.gz PJJYMEKBTCSPBE-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000790479328 1134423466 /nfs/dbraw/zinc/42/34/66/1134423466.db2.gz SZBSBERXVGHJOG-DANTVBBOSA-N 1 2 346.525 3.896 20 0 EHADLO C[C@H]1CCSCC[N@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000790479328 1134423470 /nfs/dbraw/zinc/42/34/70/1134423470.db2.gz SZBSBERXVGHJOG-DANTVBBOSA-N 1 2 346.525 3.896 20 0 EHADLO COCCOc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1Cl ZINC000156072597 1134443465 /nfs/dbraw/zinc/44/34/65/1134443465.db2.gz RFOYPLGKNDHGBX-UHFFFAOYSA-N 1 2 345.830 3.933 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC2(CCCCC2)O1 ZINC000790799707 1134467356 /nfs/dbraw/zinc/46/73/56/1134467356.db2.gz KBAXETZLALCJIA-CQSZACIVSA-N 1 2 343.475 3.875 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccc(Oc2cccnc2)cc1 ZINC001188631348 1134490605 /nfs/dbraw/zinc/49/06/05/1134490605.db2.gz YVPSZLRNZLUXMU-UHFFFAOYSA-N 1 2 348.406 3.725 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnnn1C1CC1 ZINC000791009335 1134493226 /nfs/dbraw/zinc/49/32/26/1134493226.db2.gz OXGKRDSRLUCTFL-QMMMGPOBSA-N 1 2 345.756 3.531 20 0 EHADLO O=C(Cc1cccs1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270713 1134524577 /nfs/dbraw/zinc/52/45/77/1134524577.db2.gz GPNMGAYUCHKBKM-AWEZNQCLSA-N 1 2 343.496 3.735 20 0 EHADLO O=C(Cc1cccs1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270713 1134524582 /nfs/dbraw/zinc/52/45/82/1134524582.db2.gz GPNMGAYUCHKBKM-AWEZNQCLSA-N 1 2 343.496 3.735 20 0 EHADLO CCCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1OCCC ZINC000791523350 1134564562 /nfs/dbraw/zinc/56/45/62/1134564562.db2.gz BJQGOQPWLMTWOU-UHFFFAOYSA-N 1 2 344.411 3.598 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CC2(Cl)Cl)sc1C ZINC000791614752 1134576917 /nfs/dbraw/zinc/57/69/17/1134576917.db2.gz IPQKRTUKOCABHT-ZJUUUORDSA-N 1 2 349.283 3.569 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C[C@H]2CC2(Cl)Cl)sc1C ZINC000791614752 1134576923 /nfs/dbraw/zinc/57/69/23/1134576923.db2.gz IPQKRTUKOCABHT-ZJUUUORDSA-N 1 2 349.283 3.569 20 0 EHADLO Nc1cc(COC(=O)C2(c3cccc(F)c3)CCCCC2)cc[nH+]1 ZINC000791779691 1134601021 /nfs/dbraw/zinc/60/10/21/1134601021.db2.gz PVGMSZUCGDPCRH-UHFFFAOYSA-N 1 2 328.387 3.748 20 0 EHADLO Nc1cc(COC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc[nH+]1 ZINC000791965722 1134639142 /nfs/dbraw/zinc/63/91/42/1134639142.db2.gz KGTIEONPZUIYKW-UHFFFAOYSA-N 1 2 337.354 3.586 20 0 EHADLO Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792283793 1134673589 /nfs/dbraw/zinc/67/35/89/1134673589.db2.gz ZJYXIFOHHQJPGH-UHFFFAOYSA-N 1 2 343.770 3.638 20 0 EHADLO CCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CCC1 ZINC000157420146 1134715556 /nfs/dbraw/zinc/71/55/56/1134715556.db2.gz XIBXXOOBZPTVJB-SFHVURJKSA-N 1 2 329.488 3.523 20 0 EHADLO CCCC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CCC1 ZINC000157420146 1134715562 /nfs/dbraw/zinc/71/55/62/1134715562.db2.gz XIBXXOOBZPTVJB-SFHVURJKSA-N 1 2 329.488 3.523 20 0 EHADLO c1sc(CNc2cc(N3CCCC3)nc[nH+]2)nc1-c1ccccc1 ZINC001170242955 1134721014 /nfs/dbraw/zinc/72/10/14/1134721014.db2.gz MSWSDTGTGVMXTG-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO c1sc(CNc2cc(N3CCCC3)[nH+]cn2)nc1-c1ccccc1 ZINC001170242955 1134721022 /nfs/dbraw/zinc/72/10/22/1134721022.db2.gz MSWSDTGTGVMXTG-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO Nc1[nH+]ccc2c1CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)CC2 ZINC001170260066 1134726062 /nfs/dbraw/zinc/72/60/62/1134726062.db2.gz YYXVMWCXRKMZDW-OWOJBTEDSA-N 1 2 348.233 3.569 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC3CCC4(CC3)OCCO4)c2c1 ZINC000792665528 1134774069 /nfs/dbraw/zinc/77/40/69/1134774069.db2.gz XFAMOPJSBLGEJE-UHFFFAOYSA-N 1 2 343.423 3.864 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)cn1 ZINC000792870551 1134804298 /nfs/dbraw/zinc/80/42/98/1134804298.db2.gz HZTCAXFUVDIHEN-KRWDZBQOSA-N 1 2 325.456 3.660 20 0 EHADLO CCc1cccc(F)c1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000793165619 1134859151 /nfs/dbraw/zinc/85/91/51/1134859151.db2.gz CRZFARZSDHPYCC-FQEVSTJZSA-N 1 2 340.442 3.621 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000793165619 1134859159 /nfs/dbraw/zinc/85/91/59/1134859159.db2.gz CRZFARZSDHPYCC-FQEVSTJZSA-N 1 2 340.442 3.621 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000793136113 1134861397 /nfs/dbraw/zinc/86/13/97/1134861397.db2.gz YUMAVFIAWRFIBC-UHFFFAOYSA-N 1 2 343.377 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CN2c3ccccc3N(C)CC[C@H]2C)c1C ZINC001191601757 1134895704 /nfs/dbraw/zinc/89/57/04/1134895704.db2.gz QGCPZQPSVOZKMF-OAHLLOKOSA-N 1 2 325.456 3.942 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(OC(=O)CCc3c[nH]c[nH+]3)cc2)cc1 ZINC000793354103 1134908441 /nfs/dbraw/zinc/90/84/41/1134908441.db2.gz YCOOKNMEJINUSW-UHFFFAOYSA-N 1 2 349.390 3.509 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(OC(=O)CCc3c[nH+]c[nH]3)cc2)cc1 ZINC000793354103 1134908450 /nfs/dbraw/zinc/90/84/50/1134908450.db2.gz YCOOKNMEJINUSW-UHFFFAOYSA-N 1 2 349.390 3.509 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174718 1134980810 /nfs/dbraw/zinc/98/08/10/1134980810.db2.gz UJBLGSVGOVQXRO-HNNXBMFYSA-N 1 2 347.377 3.995 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174718 1134980811 /nfs/dbraw/zinc/98/08/11/1134980811.db2.gz UJBLGSVGOVQXRO-HNNXBMFYSA-N 1 2 347.377 3.995 20 0 EHADLO Cc1cc(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC001192407539 1135015559 /nfs/dbraw/zinc/01/55/59/1135015559.db2.gz MCFTZWRRIINMEP-UHFFFAOYSA-N 1 2 342.418 3.567 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1ccc2sccc2c1 ZINC001192469495 1135017513 /nfs/dbraw/zinc/01/75/13/1135017513.db2.gz FJCPCDWLYPCVNV-UHFFFAOYSA-N 1 2 326.425 3.830 20 0 EHADLO Cc1ccc(CC2CC[NH+](Cc3nnc(C(C)(C)C)[nH]3)CC2)cc1 ZINC001192472785 1135017679 /nfs/dbraw/zinc/01/76/79/1135017679.db2.gz YIJQMKOTFMTKRY-UHFFFAOYSA-N 1 2 326.488 3.865 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000794204698 1135026711 /nfs/dbraw/zinc/02/67/11/1135026711.db2.gz DMFDUFZEVYNPEM-KRWDZBQOSA-N 1 2 346.434 3.947 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(CC)cn1 ZINC001193284158 1135121974 /nfs/dbraw/zinc/12/19/74/1135121974.db2.gz WJYPRSNXYGXJHC-SFHVURJKSA-N 1 2 347.503 3.865 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC)cn1 ZINC001193284158 1135121975 /nfs/dbraw/zinc/12/19/75/1135121975.db2.gz WJYPRSNXYGXJHC-SFHVURJKSA-N 1 2 347.503 3.865 20 0 EHADLO CCN(C(=O)c1ccccc1-c1cccc(Cl)c1)C1C[NH+](C)C1 ZINC001193809774 1135187369 /nfs/dbraw/zinc/18/73/69/1135187369.db2.gz KIKOGGRBBWFUHC-UHFFFAOYSA-N 1 2 328.843 3.783 20 0 EHADLO Cc1ccccc1[C@@H](O)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000804812607 1135202480 /nfs/dbraw/zinc/20/24/80/1135202480.db2.gz JWQTUPJVAAPEJO-IBGZPJMESA-N 1 2 325.456 3.660 20 0 EHADLO Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)[nH]1 ZINC001193915814 1135204104 /nfs/dbraw/zinc/20/41/04/1135204104.db2.gz FDAPUGVJVGOVDJ-HNNXBMFYSA-N 1 2 340.254 3.663 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001194056693 1135223525 /nfs/dbraw/zinc/22/35/25/1135223525.db2.gz KWYOYWOBOGSWLS-INIZCTEOSA-N 1 2 332.787 3.777 20 0 EHADLO Cc1ccc(OC(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1 ZINC001194427166 1135265943 /nfs/dbraw/zinc/26/59/43/1135265943.db2.gz UYTDGPMKEWGJMN-MRXNPFEDSA-N 1 2 342.414 3.839 20 0 EHADLO Cc1ccc(OC(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1 ZINC001194427166 1135265945 /nfs/dbraw/zinc/26/59/45/1135265945.db2.gz UYTDGPMKEWGJMN-MRXNPFEDSA-N 1 2 342.414 3.839 20 0 EHADLO COc1cccc(CC2(C(=O)OCCn3cc[nH+]c3)CCCCC2)c1 ZINC000805670089 1135303035 /nfs/dbraw/zinc/30/30/35/1135303035.db2.gz UXAGAKLTPLVZAW-UHFFFAOYSA-N 1 2 342.439 3.628 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)c(C)c1OC ZINC000805833026 1135331785 /nfs/dbraw/zinc/33/17/85/1135331785.db2.gz QORUUFLRYPQJJV-GFCCVEGCSA-N 1 2 333.432 3.544 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)C1CC1 ZINC001194918577 1135340443 /nfs/dbraw/zinc/34/04/43/1135340443.db2.gz ZUWWGYSHRIHZHG-HXUWFJFHSA-N 1 2 346.434 3.672 20 0 EHADLO O=C(c1cc(Cl)c(Cl)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC001195172178 1135387333 /nfs/dbraw/zinc/38/73/33/1135387333.db2.gz HPCURDNXGYKBFO-UHFFFAOYSA-N 1 2 330.240 3.729 20 0 EHADLO O=C(c1cc(Cl)c(Cl)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001195171689 1135387484 /nfs/dbraw/zinc/38/74/84/1135387484.db2.gz AAVRYJSHJFESPF-QMMMGPOBSA-N 1 2 330.240 3.798 20 0 EHADLO CC[C@@H]1C[N@@H+](CCOc2ccccc2Br)C[C@H](CC)O1 ZINC001195300368 1135409309 /nfs/dbraw/zinc/40/93/09/1135409309.db2.gz UQVHSGASAIFOJG-OKILXGFUSA-N 1 2 342.277 3.717 20 0 EHADLO CC[C@@H]1C[N@H+](CCOc2ccccc2Br)C[C@H](CC)O1 ZINC001195300368 1135409312 /nfs/dbraw/zinc/40/93/12/1135409312.db2.gz UQVHSGASAIFOJG-OKILXGFUSA-N 1 2 342.277 3.717 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(C(F)F)ccc3F)[nH+]c12 ZINC001130576700 1135421461 /nfs/dbraw/zinc/42/14/61/1135421461.db2.gz BRCLNJVWCPSOMJ-UHFFFAOYSA-N 1 2 333.313 3.901 20 0 EHADLO CC1(C)C[C@@](C)([NH2+]CCCOc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC001195670718 1135448841 /nfs/dbraw/zinc/44/88/41/1135448841.db2.gz SSXRBEJXVAWFEF-MRXNPFEDSA-N 1 2 345.361 3.548 20 0 EHADLO COc1ccc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc2c1 ZINC000806618218 1135472281 /nfs/dbraw/zinc/47/22/81/1135472281.db2.gz JJLWQWIAVODLRG-UHFFFAOYSA-N 1 2 346.390 3.818 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001195851866 1135475240 /nfs/dbraw/zinc/47/52/40/1135475240.db2.gz QSCIRELJYFLEFD-SFHVURJKSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001195851866 1135475241 /nfs/dbraw/zinc/47/52/41/1135475241.db2.gz QSCIRELJYFLEFD-SFHVURJKSA-N 1 2 326.440 3.668 20 0 EHADLO CCCC1CCC(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000775672614 1135477987 /nfs/dbraw/zinc/47/79/87/1135477987.db2.gz LPCKKGJTXLVYBB-DQPZFDDXSA-N 1 2 333.476 3.927 20 0 EHADLO CCCC1CCC(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000775672614 1135477992 /nfs/dbraw/zinc/47/79/92/1135477992.db2.gz LPCKKGJTXLVYBB-DQPZFDDXSA-N 1 2 333.476 3.927 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000806762776 1135486378 /nfs/dbraw/zinc/48/63/78/1135486378.db2.gz JPSULVZBWFUQLS-LJQANCHMSA-N 1 2 349.434 3.647 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000867179846 1135575057 /nfs/dbraw/zinc/57/50/57/1135575057.db2.gz BYDCAWNVYYQJKY-JKSUJKDBSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000867179846 1135575059 /nfs/dbraw/zinc/57/50/59/1135575059.db2.gz BYDCAWNVYYQJKY-JKSUJKDBSA-N 1 2 345.468 3.520 20 0 EHADLO CC[C@H](SC)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182633 1135579183 /nfs/dbraw/zinc/57/91/83/1135579183.db2.gz YOKZFKFNJUQNDE-CVEARBPZSA-N 1 2 347.484 3.766 20 0 EHADLO CC[C@H](SC)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182633 1135579190 /nfs/dbraw/zinc/57/91/90/1135579190.db2.gz YOKZFKFNJUQNDE-CVEARBPZSA-N 1 2 347.484 3.766 20 0 EHADLO Fc1ccc2c(c1)OCC[N@@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC001196604299 1135584130 /nfs/dbraw/zinc/58/41/30/1135584130.db2.gz FCQSCYGHKBQNAD-UHFFFAOYSA-N 1 2 335.382 3.677 20 0 EHADLO Fc1ccc2c(c1)OCC[N@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC001196604299 1135584134 /nfs/dbraw/zinc/58/41/34/1135584134.db2.gz FCQSCYGHKBQNAD-UHFFFAOYSA-N 1 2 335.382 3.677 20 0 EHADLO C/C=C/C=C/c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186150 1135587174 /nfs/dbraw/zinc/58/71/74/1135587174.db2.gz HGHCWMPSTZDTEL-XVJNTKFSSA-N 1 2 325.412 3.541 20 0 EHADLO C/C=C/C=C/c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186150 1135587176 /nfs/dbraw/zinc/58/71/76/1135587176.db2.gz HGHCWMPSTZDTEL-XVJNTKFSSA-N 1 2 325.412 3.541 20 0 EHADLO CC/C=C(/C)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867185788 1135587245 /nfs/dbraw/zinc/58/72/45/1135587245.db2.gz FRAOIOOJAQSGRM-IJZIWBRISA-N 1 2 327.428 3.765 20 0 EHADLO CC/C=C(/C)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867185788 1135587250 /nfs/dbraw/zinc/58/72/50/1135587250.db2.gz FRAOIOOJAQSGRM-IJZIWBRISA-N 1 2 327.428 3.765 20 0 EHADLO CC(C)c1cn(C[N@H+](C)C[C@H]2OCCc3ccccc32)c(=S)n1C ZINC000747454014 1135610651 /nfs/dbraw/zinc/61/06/51/1135610651.db2.gz OEIRUDPHJQMZMK-GOSISDBHSA-N 1 2 345.512 3.883 20 0 EHADLO CC(C)c1cn(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(=S)n1C ZINC000747454014 1135610654 /nfs/dbraw/zinc/61/06/54/1135610654.db2.gz OEIRUDPHJQMZMK-GOSISDBHSA-N 1 2 345.512 3.883 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001196773665 1135613813 /nfs/dbraw/zinc/61/38/13/1135613813.db2.gz RSOLRPVIJDGNID-STQMWFEESA-N 1 2 340.414 3.761 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001196773665 1135613815 /nfs/dbraw/zinc/61/38/15/1135613815.db2.gz RSOLRPVIJDGNID-STQMWFEESA-N 1 2 340.414 3.761 20 0 EHADLO O=C1N(C[N@@H+]2CC[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000808140387 1135623580 /nfs/dbraw/zinc/62/35/80/1135623580.db2.gz HRUGKSWLLSCYFS-GOSISDBHSA-N 1 2 341.842 3.987 20 0 EHADLO O=C1N(C[N@H+]2CC[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000808140387 1135623584 /nfs/dbraw/zinc/62/35/84/1135623584.db2.gz HRUGKSWLLSCYFS-GOSISDBHSA-N 1 2 341.842 3.987 20 0 EHADLO S=C(Nc1cccc(Br)c1)Nc1ccc2[nH+]ccn2c1 ZINC001196980456 1135636229 /nfs/dbraw/zinc/63/62/29/1135636229.db2.gz NAOOXXNHDIEQMO-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CCO[NH+]=C(N)c2ccccc2)CC1 ZINC000808244256 1135640794 /nfs/dbraw/zinc/64/07/94/1135640794.db2.gz RPAMHEBGGYMJAI-UHFFFAOYSA-N 1 2 347.459 3.570 20 0 EHADLO COc1cccc(C[NH+]2CCN(CCCc3ccsc3)CC2)c1 ZINC001197078052 1135647204 /nfs/dbraw/zinc/64/72/04/1135647204.db2.gz QVDOGVRWMPUVKN-UHFFFAOYSA-N 1 2 330.497 3.507 20 0 EHADLO Cc1cc(Br)cc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000808437661 1135667439 /nfs/dbraw/zinc/66/74/39/1135667439.db2.gz UAWCHNKPKDIFKM-UHFFFAOYSA-N 1 2 335.245 3.914 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197316585 1135671621 /nfs/dbraw/zinc/67/16/21/1135671621.db2.gz PDHLTLQXZGXQED-XIRDDKMYSA-N 1 2 325.456 3.996 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197316585 1135671624 /nfs/dbraw/zinc/67/16/24/1135671624.db2.gz PDHLTLQXZGXQED-XIRDDKMYSA-N 1 2 325.456 3.996 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC001197412114 1135689441 /nfs/dbraw/zinc/68/94/41/1135689441.db2.gz ACHKPLHQXGZKNZ-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC001197412114 1135689445 /nfs/dbraw/zinc/68/94/45/1135689445.db2.gz ACHKPLHQXGZKNZ-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO Cc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC001197492091 1135696154 /nfs/dbraw/zinc/69/61/54/1135696154.db2.gz VBSUFGRIMKDJPT-UHFFFAOYSA-N 1 2 327.331 3.519 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC001197552279 1135704864 /nfs/dbraw/zinc/70/48/64/1135704864.db2.gz IKJUWKAYOXWAJS-HNNXBMFYSA-N 1 2 327.325 3.786 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC001197552279 1135704867 /nfs/dbraw/zinc/70/48/67/1135704867.db2.gz IKJUWKAYOXWAJS-HNNXBMFYSA-N 1 2 327.325 3.786 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001197718970 1135723800 /nfs/dbraw/zinc/72/38/00/1135723800.db2.gz BYOKJTVEMRAYCV-UKRRQHHQSA-N 1 2 345.336 3.657 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001197718970 1135723804 /nfs/dbraw/zinc/72/38/04/1135723804.db2.gz BYOKJTVEMRAYCV-UKRRQHHQSA-N 1 2 345.336 3.657 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001197815237 1135742503 /nfs/dbraw/zinc/74/25/03/1135742503.db2.gz LKJCNCYTQLZAMV-CQSZACIVSA-N 1 2 344.352 3.570 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)CCSc1cccc(Cl)c1 ZINC000809002103 1135767737 /nfs/dbraw/zinc/76/77/37/1135767737.db2.gz YMYATVCCCYTRRR-UHFFFAOYSA-N 1 2 338.860 3.732 20 0 EHADLO FC(F)(F)c1cccc(NC(=S)Nc2cc[nH+]c3c2CCC3)c1 ZINC001198029837 1135767858 /nfs/dbraw/zinc/76/78/58/1135767858.db2.gz NXYXIXKGMCAFLV-UHFFFAOYSA-N 1 2 337.370 3.820 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001131586572 1135793016 /nfs/dbraw/zinc/79/30/16/1135793016.db2.gz DXRAMMSLUVHQIF-LJQANCHMSA-N 1 2 333.435 3.751 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001198341209 1135802622 /nfs/dbraw/zinc/80/26/22/1135802622.db2.gz ZTSPLPMMPLDWMH-UHFFFAOYSA-N 1 2 341.480 3.939 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4C[C@H]4c4ccccc4)n3)[nH+]c12 ZINC000809367402 1135833001 /nfs/dbraw/zinc/83/30/01/1135833001.db2.gz MRPWOPQZNCQLKR-DLBZAZTESA-N 1 2 330.391 3.888 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001170579791 1135839220 /nfs/dbraw/zinc/83/92/20/1135839220.db2.gz XIRCKDNPNKTCSZ-HOTGVXAUSA-N 1 2 329.481 3.600 20 0 EHADLO CC(C)c1nsc(C[NH2+][C@@]2(CO)CC[C@H](C)c3ccccc32)n1 ZINC001198694340 1135844769 /nfs/dbraw/zinc/84/47/69/1135844769.db2.gz CFYUMBZYMSCUEL-SCLBCKFNSA-N 1 2 331.485 3.536 20 0 EHADLO C[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(F)c(Cl)c1 ZINC000809653774 1135865922 /nfs/dbraw/zinc/86/59/22/1135865922.db2.gz GWUSRJZHLQGNKH-UHFFFAOYSA-N 1 2 342.823 3.613 20 0 EHADLO C[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(F)c(Cl)c1 ZINC000809653774 1135865924 /nfs/dbraw/zinc/86/59/24/1135865924.db2.gz GWUSRJZHLQGNKH-UHFFFAOYSA-N 1 2 342.823 3.613 20 0 EHADLO C[C@@H](CO)[N@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000809742576 1135884172 /nfs/dbraw/zinc/88/41/72/1135884172.db2.gz DSJQSXALIKYWCI-JTQLQIEISA-N 1 2 328.890 3.760 20 0 EHADLO C[C@@H](CO)[N@@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000809742576 1135884176 /nfs/dbraw/zinc/88/41/76/1135884176.db2.gz DSJQSXALIKYWCI-JTQLQIEISA-N 1 2 328.890 3.760 20 0 EHADLO CC[C@H](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(C)(C)C ZINC001131919800 1135900057 /nfs/dbraw/zinc/90/00/57/1135900057.db2.gz QWFBSUPKIRLMPR-MRXNPFEDSA-N 1 2 349.544 3.713 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(F)CCCCC3)n2)C1 ZINC000809999357 1135912654 /nfs/dbraw/zinc/91/26/54/1135912654.db2.gz LJFXTTSJVBCIIN-ZDUSSCGKSA-N 1 2 339.480 3.986 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(F)CCCCC3)n2)C1 ZINC000809999357 1135912657 /nfs/dbraw/zinc/91/26/57/1135912657.db2.gz LJFXTTSJVBCIIN-ZDUSSCGKSA-N 1 2 339.480 3.986 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131398 1135925844 /nfs/dbraw/zinc/92/58/44/1135925844.db2.gz LPFHHNFPJMRCDM-KRWDZBQOSA-N 1 2 346.862 3.545 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131398 1135925846 /nfs/dbraw/zinc/92/58/46/1135925846.db2.gz LPFHHNFPJMRCDM-KRWDZBQOSA-N 1 2 346.862 3.545 20 0 EHADLO O=C(OCc1ccccc1)c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000810168167 1135929886 /nfs/dbraw/zinc/92/98/86/1135929886.db2.gz WPYRJYNIRMAVIK-UHFFFAOYSA-N 1 2 338.432 3.790 20 0 EHADLO COCc1nc(C[NH2+]Cc2cc(C)cc(Br)c2)cs1 ZINC000810171144 1135930108 /nfs/dbraw/zinc/93/01/08/1135930108.db2.gz VBIQKXHRHMZTCJ-UHFFFAOYSA-N 1 2 341.274 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000810180222 1135935246 /nfs/dbraw/zinc/93/52/46/1135935246.db2.gz QZPNMDXJFMDYMJ-AWEZNQCLSA-N 1 2 339.439 3.920 20 0 EHADLO CCNc1cc(CNC(=O)Nc2cccc3ccc(C)nc32)cc[nH+]1 ZINC001199883937 1135936443 /nfs/dbraw/zinc/93/64/43/1135936443.db2.gz XROOJRRUVZAAOH-UHFFFAOYSA-N 1 2 335.411 3.692 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810228441 1135941451 /nfs/dbraw/zinc/94/14/51/1135941451.db2.gz VEHFVBLQOLRBPM-LBPRGKRZSA-N 1 2 328.803 3.740 20 0 EHADLO S=C(Nc1cccc(C[NH+]2CCOCC2)c1)NC1CCCCCC1 ZINC001199969303 1135941662 /nfs/dbraw/zinc/94/16/62/1135941662.db2.gz UWMAWKHLPNXNKY-UHFFFAOYSA-N 1 2 347.528 3.528 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000794435438 1135956809 /nfs/dbraw/zinc/95/68/09/1135956809.db2.gz NGKDRTYVYKTERJ-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000794435438 1135956812 /nfs/dbraw/zinc/95/68/12/1135956812.db2.gz NGKDRTYVYKTERJ-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2ccc(C)c(F)c2F)CC1 ZINC001137964902 1135958787 /nfs/dbraw/zinc/95/87/87/1135958787.db2.gz SLYHGPBCNVCRJQ-UHFFFAOYSA-N 1 2 332.394 3.604 20 0 EHADLO C[C@@H]([NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374695 1135960231 /nfs/dbraw/zinc/96/02/31/1135960231.db2.gz CHTXAZTWRRHKGA-TZMCWYRMSA-N 1 2 346.368 3.667 20 0 EHADLO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374695 1135960237 /nfs/dbraw/zinc/96/02/37/1135960237.db2.gz CHTXAZTWRRHKGA-TZMCWYRMSA-N 1 2 346.368 3.667 20 0 EHADLO CCOc1ccc2ccccc2c1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825532129 1135969606 /nfs/dbraw/zinc/96/96/06/1135969606.db2.gz SQRAJLYMENOTOC-UHFFFAOYSA-N 1 2 337.423 3.600 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201101650 1135983378 /nfs/dbraw/zinc/98/33/78/1135983378.db2.gz GZSWWUBSENETCU-UHFFFAOYSA-N 1 2 347.871 3.975 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1CNc1ccc(N(C)C)c[nH+]1 ZINC001201178695 1135992564 /nfs/dbraw/zinc/99/25/64/1135992564.db2.gz DYDDECIMJGRPAX-UHFFFAOYSA-N 1 2 341.846 3.907 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810695744 1135998086 /nfs/dbraw/zinc/99/80/86/1135998086.db2.gz HTKBQIWSCGNYME-FXAWDEMLSA-N 1 2 326.440 3.699 20 0 EHADLO Nc1ccc(Nc2c(Cl)nc(Cl)cc2Br)c[nH+]1 ZINC001201278212 1136002988 /nfs/dbraw/zinc/00/29/88/1136002988.db2.gz GGMCATBLWIQLJD-UHFFFAOYSA-N 1 2 334.004 3.872 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CCC2 ZINC001201618027 1136047607 /nfs/dbraw/zinc/04/76/07/1136047607.db2.gz LYGLMPVTTCWFEM-HZPDHXFCSA-N 1 2 346.500 3.939 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(CNc2[nH+]cccc2OC(C)C)c1C ZINC001202031343 1136089381 /nfs/dbraw/zinc/08/93/81/1136089381.db2.gz HIJXFOVYXNWVBS-UHFFFAOYSA-N 1 2 331.416 3.603 20 0 EHADLO COCCC[N@H+](Cc1ccncc1)Cc1ccnc(Cl)c1Cl ZINC000811507345 1136101300 /nfs/dbraw/zinc/10/13/00/1136101300.db2.gz YYAXARZWISNQCA-UHFFFAOYSA-N 1 2 340.254 3.822 20 0 EHADLO COCCC[N@@H+](Cc1ccncc1)Cc1ccnc(Cl)c1Cl ZINC000811507345 1136101302 /nfs/dbraw/zinc/10/13/02/1136101302.db2.gz YYAXARZWISNQCA-UHFFFAOYSA-N 1 2 340.254 3.822 20 0 EHADLO Oc1cccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)c1 ZINC000811713704 1136124415 /nfs/dbraw/zinc/12/44/15/1136124415.db2.gz BJSSMKRTOCFHLH-UHFFFAOYSA-N 1 2 339.826 3.920 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811729128 1136131621 /nfs/dbraw/zinc/13/16/21/1136131621.db2.gz KDPWOZINRBHYGH-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811729128 1136131623 /nfs/dbraw/zinc/13/16/23/1136131623.db2.gz KDPWOZINRBHYGH-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO CC1(C)C(=O)N(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)[C@H]1C1CC1 ZINC000811736595 1136133065 /nfs/dbraw/zinc/13/30/65/1136133065.db2.gz YKHCAYXLLHMXCU-KRWDZBQOSA-N 1 2 332.875 3.909 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)[C@H]1C1CC1 ZINC000811736595 1136133067 /nfs/dbraw/zinc/13/30/67/1136133067.db2.gz YKHCAYXLLHMXCU-KRWDZBQOSA-N 1 2 332.875 3.909 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001202369599 1136134636 /nfs/dbraw/zinc/13/46/36/1136134636.db2.gz QWLPQSFFWJKCAU-UHFFFAOYSA-N 1 2 344.846 3.814 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202419627 1136139167 /nfs/dbraw/zinc/13/91/67/1136139167.db2.gz PZTMBQBXDKHOTG-UHFFFAOYSA-N 1 2 326.322 3.805 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c[nH+]1 ZINC001170647764 1136152642 /nfs/dbraw/zinc/15/26/42/1136152642.db2.gz RAUOSBMEZGSYDV-UHFFFAOYSA-N 1 2 331.847 3.904 20 0 EHADLO CC(C)C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccccc1F ZINC000338914236 1136160564 /nfs/dbraw/zinc/16/05/64/1136160564.db2.gz SXELYYGYULCUTI-UHFFFAOYSA-N 1 2 349.471 3.758 20 0 EHADLO CC(C)C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccccc1F ZINC000338914236 1136160566 /nfs/dbraw/zinc/16/05/66/1136160566.db2.gz SXELYYGYULCUTI-UHFFFAOYSA-N 1 2 349.471 3.758 20 0 EHADLO Cc1ccc(OCc2ccc(C(=O)OCc3c[nH+]cn3C)o2)c(C)c1 ZINC000747780697 1136192510 /nfs/dbraw/zinc/19/25/10/1136192510.db2.gz HBCQVHCRXGBRSU-UHFFFAOYSA-N 1 2 340.379 3.566 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)c2ncnn21 ZINC000850352199 1136239610 /nfs/dbraw/zinc/23/96/10/1136239610.db2.gz ONUPPHRTKHKBNH-BXKDBHETSA-N 1 2 328.363 3.686 20 0 EHADLO COc1ccc([C@@H](O)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000812774973 1136245455 /nfs/dbraw/zinc/24/54/55/1136245455.db2.gz BEGFIYXFDBZFJA-LJQANCHMSA-N 1 2 342.439 3.506 20 0 EHADLO CC(C)CONC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812968231 1136275251 /nfs/dbraw/zinc/27/52/51/1136275251.db2.gz GQPUHLBENIITOX-UHFFFAOYSA-N 1 2 328.416 3.596 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000812955891 1136276823 /nfs/dbraw/zinc/27/68/23/1136276823.db2.gz RZYFEHKTOURBED-UHFFFAOYSA-N 1 2 348.834 3.705 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1nc(Br)cs1 ZINC000850526354 1136277890 /nfs/dbraw/zinc/27/78/90/1136277890.db2.gz PXRYYRFOJHWPMX-KPXOXKRLSA-N 1 2 339.258 3.735 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1nc(Br)cs1 ZINC000850526355 1136278053 /nfs/dbraw/zinc/27/80/53/1136278053.db2.gz PXRYYRFOJHWPMX-UWJYBYFXSA-N 1 2 339.258 3.735 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)nnn1-c1ccc(C)cc1 ZINC000850530173 1136279321 /nfs/dbraw/zinc/27/93/21/1136279321.db2.gz WLCLTGMCLGQWKY-KPOBHBOGSA-N 1 2 348.450 3.713 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000850562468 1136286277 /nfs/dbraw/zinc/28/62/77/1136286277.db2.gz VMEPOHFVDOIMIR-MGPQQGTHSA-N 1 2 333.444 3.887 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000850562467 1136286531 /nfs/dbraw/zinc/28/65/31/1136286531.db2.gz VMEPOHFVDOIMIR-MCIONIFRSA-N 1 2 333.444 3.887 20 0 EHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000850572541 1136289792 /nfs/dbraw/zinc/28/97/92/1136289792.db2.gz LTDGHXCNLNPFEC-GFCCVEGCSA-N 1 2 325.403 3.548 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 ZINC000813222105 1136304974 /nfs/dbraw/zinc/30/49/74/1136304974.db2.gz CAONTLMNYYNFTD-QGZVFWFLSA-N 1 2 330.428 3.843 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 ZINC000813222105 1136304976 /nfs/dbraw/zinc/30/49/76/1136304976.db2.gz CAONTLMNYYNFTD-QGZVFWFLSA-N 1 2 330.428 3.843 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 ZINC000813222104 1136305091 /nfs/dbraw/zinc/30/50/91/1136305091.db2.gz CAONTLMNYYNFTD-KRWDZBQOSA-N 1 2 330.428 3.843 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 ZINC000813222104 1136305095 /nfs/dbraw/zinc/30/50/95/1136305095.db2.gz CAONTLMNYYNFTD-KRWDZBQOSA-N 1 2 330.428 3.843 20 0 EHADLO Cc1ccoc1CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000851013160 1136328234 /nfs/dbraw/zinc/32/82/34/1136328234.db2.gz NUHFNWVICCFFQI-UHFFFAOYSA-N 1 2 336.391 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2ccccc2C)c1C ZINC000747861229 1136351304 /nfs/dbraw/zinc/35/13/04/1136351304.db2.gz VQAFCTYISCPCEW-MRXNPFEDSA-N 1 2 341.455 3.918 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000851765335 1136406264 /nfs/dbraw/zinc/40/62/64/1136406264.db2.gz SHTLNSYTMLEKMQ-PXAZEXFGSA-N 1 2 348.878 3.527 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000851812185 1136410694 /nfs/dbraw/zinc/41/06/94/1136410694.db2.gz GXQDJFVIOUUDKC-OALUTQOASA-N 1 2 329.440 3.728 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000851812185 1136410697 /nfs/dbraw/zinc/41/06/97/1136410697.db2.gz GXQDJFVIOUUDKC-OALUTQOASA-N 1 2 329.440 3.728 20 0 EHADLO CC(C)CCCCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000747905608 1136412714 /nfs/dbraw/zinc/41/27/14/1136412714.db2.gz GDKZZTQYNPGGNR-UHFFFAOYSA-N 1 2 346.515 3.742 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OCCC(C)C ZINC000814181204 1136418058 /nfs/dbraw/zinc/41/80/58/1136418058.db2.gz XOLBCZPHMWEUBS-MRXNPFEDSA-N 1 2 349.471 3.646 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OCCC(C)C ZINC000814181204 1136418060 /nfs/dbraw/zinc/41/80/60/1136418060.db2.gz XOLBCZPHMWEUBS-MRXNPFEDSA-N 1 2 349.471 3.646 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C2CCC2)C1 ZINC000852016718 1136427893 /nfs/dbraw/zinc/42/78/93/1136427893.db2.gz JOKMEIJKQBOXRW-SFHVURJKSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814250379 1136430835 /nfs/dbraw/zinc/43/08/35/1136430835.db2.gz QQLARQMNTVWSAE-UONOGXRCSA-N 1 2 329.400 3.742 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3nc4ccccc4[nH]3)CC2)c1F ZINC000852110456 1136433950 /nfs/dbraw/zinc/43/39/50/1136433950.db2.gz RHUMOTJVITZFRA-UHFFFAOYSA-N 1 2 342.393 3.553 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3nc4ccccc4[nH]3)CC2)c1F ZINC000852110456 1136433952 /nfs/dbraw/zinc/43/39/52/1136433952.db2.gz RHUMOTJVITZFRA-UHFFFAOYSA-N 1 2 342.393 3.553 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3ccc(Cl)nc3)CC2)c1F ZINC000852110376 1136434224 /nfs/dbraw/zinc/43/42/24/1136434224.db2.gz NHKVVLAYLYVADJ-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3ccc(Cl)nc3)CC2)c1F ZINC000852110376 1136434226 /nfs/dbraw/zinc/43/42/26/1136434226.db2.gz NHKVVLAYLYVADJ-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(Cl)n1 ZINC000797590114 1136443063 /nfs/dbraw/zinc/44/30/63/1136443063.db2.gz YAHPAQCCMMEUHJ-CQSZACIVSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(Cl)n1 ZINC000797590114 1136443066 /nfs/dbraw/zinc/44/30/66/1136443066.db2.gz YAHPAQCCMMEUHJ-CQSZACIVSA-N 1 2 339.867 3.533 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](Cc1cnc(C3OCCO3)s1)CC2 ZINC000852406203 1136454077 /nfs/dbraw/zinc/45/40/77/1136454077.db2.gz HSYUWAROVJBWRN-UHFFFAOYSA-N 1 2 344.480 3.870 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](Cc1cnc(C3OCCO3)s1)CC2 ZINC000852406203 1136454078 /nfs/dbraw/zinc/45/40/78/1136454078.db2.gz HSYUWAROVJBWRN-UHFFFAOYSA-N 1 2 344.480 3.870 20 0 EHADLO CCN(c1ccc(NC(=O)C[NH2+][C@H](C)c2cscn2)cc1)C(C)C ZINC000852418802 1136454726 /nfs/dbraw/zinc/45/47/26/1136454726.db2.gz FPRSRKFYMWWOGW-CQSZACIVSA-N 1 2 346.500 3.667 20 0 EHADLO C[S@@](=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564956 1136467169 /nfs/dbraw/zinc/46/71/69/1136467169.db2.gz VHJVZVJZHJOALP-HRAATJIYSA-N 1 2 339.913 3.728 20 0 EHADLO C[S@@](=O)CC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564956 1136467171 /nfs/dbraw/zinc/46/71/71/1136467171.db2.gz VHJVZVJZHJOALP-HRAATJIYSA-N 1 2 339.913 3.728 20 0 EHADLO CC(C)c1ccc(NC(=O)C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000852672801 1136475729 /nfs/dbraw/zinc/47/57/29/1136475729.db2.gz JWMAZEGUJBMNJH-UHFFFAOYSA-N 1 2 327.428 3.616 20 0 EHADLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138004887 1136481829 /nfs/dbraw/zinc/48/18/29/1136481829.db2.gz JSCGUGFRCYYMOZ-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138004887 1136481833 /nfs/dbraw/zinc/48/18/33/1136481833.db2.gz JSCGUGFRCYYMOZ-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)no1 ZINC000852731454 1136481959 /nfs/dbraw/zinc/48/19/59/1136481959.db2.gz JNNZHDJDIHZZEC-JKSUJKDBSA-N 1 2 337.851 3.694 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCCO2 ZINC000852781052 1136485971 /nfs/dbraw/zinc/48/59/71/1136485971.db2.gz CEYXGJOYBDLBLV-LBPRGKRZSA-N 1 2 325.368 3.505 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc2c(c1)CCCO2 ZINC000852782009 1136486283 /nfs/dbraw/zinc/48/62/83/1136486283.db2.gz XQZIKRYOLLCVCQ-VIFPVBQESA-N 1 2 343.374 3.733 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccc2c(c1)CCCO2 ZINC000852783886 1136487018 /nfs/dbraw/zinc/48/70/18/1136487018.db2.gz XUBDHHSJTHUQCQ-GFCCVEGCSA-N 1 2 341.436 3.974 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1cccc3c1CC=C3)C[NH2+]C2(C)C ZINC001170759395 1136492989 /nfs/dbraw/zinc/49/29/89/1136492989.db2.gz ABEXGGNPGMUVMZ-UHFFFAOYSA-N 1 2 338.411 3.539 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000111165714 1136517412 /nfs/dbraw/zinc/51/74/12/1136517412.db2.gz HAXBZQIYRKGYCF-CYBMUJFWSA-N 1 2 338.546 3.962 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000111165714 1136517414 /nfs/dbraw/zinc/51/74/14/1136517414.db2.gz HAXBZQIYRKGYCF-CYBMUJFWSA-N 1 2 338.546 3.962 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000853501656 1136538235 /nfs/dbraw/zinc/53/82/35/1136538235.db2.gz JXOYYLRHIPUUCK-ZDUSSCGKSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000853501656 1136538238 /nfs/dbraw/zinc/53/82/38/1136538238.db2.gz JXOYYLRHIPUUCK-ZDUSSCGKSA-N 1 2 346.352 3.507 20 0 EHADLO CCCCCC[C@@H](CC)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000747992780 1136547999 /nfs/dbraw/zinc/54/79/99/1136547999.db2.gz WXLGUIFISVJDKP-MOPGFXCFSA-N 1 2 338.536 3.696 20 0 EHADLO C[N@H+](Cc1ccnc(Br)c1)Cc1cc(F)c(F)c(F)c1 ZINC000815084486 1136548920 /nfs/dbraw/zinc/54/89/20/1136548920.db2.gz JRNLQSLVZYHSMK-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO C[N@@H+](Cc1ccnc(Br)c1)Cc1cc(F)c(F)c(F)c1 ZINC000815084486 1136548923 /nfs/dbraw/zinc/54/89/23/1136548923.db2.gz JRNLQSLVZYHSMK-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)C[C@@H]2CCc3ccccc32)nc1C1CCC1 ZINC000853611238 1136549817 /nfs/dbraw/zinc/54/98/17/1136549817.db2.gz ZVFLHCAIMKHIEO-INIZCTEOSA-N 1 2 342.512 3.838 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)C[C@@H]2CCc3ccccc32)nc1C1CCC1 ZINC000853611238 1136549820 /nfs/dbraw/zinc/54/98/20/1136549820.db2.gz ZVFLHCAIMKHIEO-INIZCTEOSA-N 1 2 342.512 3.838 20 0 EHADLO C[N@H+](C[C@H]1CC1(C)C)Cn1ncn(CCc2cccs2)c1=S ZINC000853627149 1136550372 /nfs/dbraw/zinc/55/03/72/1136550372.db2.gz PPWQOMVGEWXHML-CYBMUJFWSA-N 1 2 336.530 3.654 20 0 EHADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1ncn(CCc2cccs2)c1=S ZINC000853627149 1136550373 /nfs/dbraw/zinc/55/03/73/1136550373.db2.gz PPWQOMVGEWXHML-CYBMUJFWSA-N 1 2 336.530 3.654 20 0 EHADLO Cc1ccc2snc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2c1 ZINC000815097921 1136555604 /nfs/dbraw/zinc/55/56/04/1136555604.db2.gz XFKYODLNKFCXDA-HNNXBMFYSA-N 1 2 342.468 3.646 20 0 EHADLO c1cn(CCOc2cccc(-c3cnn([C@@H]4CCCCO4)c3)c2)c[nH+]1 ZINC000854207017 1136597787 /nfs/dbraw/zinc/59/77/87/1136597787.db2.gz DTTGDUUONJAZHA-IBGZPJMESA-N 1 2 338.411 3.525 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc(Cl)c(F)cc2Cl)cc[nH+]1 ZINC000815504962 1136605613 /nfs/dbraw/zinc/60/56/13/1136605613.db2.gz RNWVWASUPPPMEX-UHFFFAOYSA-N 1 2 343.185 3.951 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000854394495 1136612976 /nfs/dbraw/zinc/61/29/76/1136612976.db2.gz PBTMOLQISGFKQM-HZPDHXFCSA-N 1 2 331.847 3.838 20 0 EHADLO CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000265975533 1136675137 /nfs/dbraw/zinc/67/51/37/1136675137.db2.gz VHPQBWDVNVVHAZ-INIZCTEOSA-N 1 2 344.459 3.860 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001135408930 1136679134 /nfs/dbraw/zinc/67/91/34/1136679134.db2.gz LMNCNFHORMJYTG-RTBURBONSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)cc1 ZINC001135603005 1136725572 /nfs/dbraw/zinc/72/55/72/1136725572.db2.gz PGCBNSPBIHUIKP-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO C[C@@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000816527306 1136734161 /nfs/dbraw/zinc/73/41/61/1136734161.db2.gz DUZMACDCHXIICC-JKSUJKDBSA-N 1 2 326.440 3.660 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000816637077 1136743048 /nfs/dbraw/zinc/74/30/48/1136743048.db2.gz QZHBUBWZBHTUPX-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO COC[C@H]1CC[N@H+]1Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000816637077 1136743052 /nfs/dbraw/zinc/74/30/52/1136743052.db2.gz QZHBUBWZBHTUPX-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816823223 1136758091 /nfs/dbraw/zinc/75/80/91/1136758091.db2.gz MVCONYWMTQTBRS-CYBMUJFWSA-N 1 2 345.493 3.563 20 0 EHADLO Cc1c(Br)cccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776885790 1136783499 /nfs/dbraw/zinc/78/34/99/1136783499.db2.gz UNHGCJBLHOZAFW-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO Cn1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(Cl)n1 ZINC000856774579 1136809869 /nfs/dbraw/zinc/80/98/69/1136809869.db2.gz IEZJFWBQVDRGOJ-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114782180 1136832886 /nfs/dbraw/zinc/83/28/86/1136832886.db2.gz ZSPCTCSFSHMTDD-QZTJIDSGSA-N 1 2 346.519 3.829 20 0 EHADLO CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000857440706 1136871081 /nfs/dbraw/zinc/87/10/81/1136871081.db2.gz GCOWTHWOUITREG-IBGZPJMESA-N 1 2 344.499 3.590 20 0 EHADLO CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000857440706 1136871085 /nfs/dbraw/zinc/87/10/85/1136871085.db2.gz GCOWTHWOUITREG-IBGZPJMESA-N 1 2 344.499 3.590 20 0 EHADLO CC1CCN(c2cccc(NC(=O)c3cccc4[nH+]ccn43)c2)CC1 ZINC000776948490 1136883567 /nfs/dbraw/zinc/88/35/67/1136883567.db2.gz PUBRTHWGYXEGRE-UHFFFAOYSA-N 1 2 334.423 3.823 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1 ZINC001136177818 1136899379 /nfs/dbraw/zinc/89/93/79/1136899379.db2.gz BZIIYSXCDONPDU-KRWDZBQOSA-N 1 2 348.450 3.795 20 0 EHADLO CC1CC[NH+]([C@@H](CN[C@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845767 1136911878 /nfs/dbraw/zinc/91/18/78/1136911878.db2.gz RQYGCTIXDMNOGF-IRXDYDNUSA-N 1 2 344.528 3.911 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857865464 1136914932 /nfs/dbraw/zinc/91/49/32/1136914932.db2.gz MOWVGWXWNWYWSZ-ZDUSSCGKSA-N 1 2 331.288 3.874 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857865464 1136914936 /nfs/dbraw/zinc/91/49/36/1136914936.db2.gz MOWVGWXWNWYWSZ-ZDUSSCGKSA-N 1 2 331.288 3.874 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3ccc(C)cc3)CCC2)c1C ZINC000819200230 1136922531 /nfs/dbraw/zinc/92/25/31/1136922531.db2.gz UGZGMFTUSFJSPP-UHFFFAOYSA-N 1 2 338.451 3.754 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982851 1136926939 /nfs/dbraw/zinc/92/69/39/1136926939.db2.gz MUTWOFDCWUXGBI-VQTJNVASSA-N 1 2 345.446 3.861 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857983457 1136927256 /nfs/dbraw/zinc/92/72/56/1136927256.db2.gz ACJOZBLURODABN-BXUZGUMPSA-N 1 2 337.345 3.657 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985092 1136927561 /nfs/dbraw/zinc/92/75/61/1136927561.db2.gz GOHITSYDQPYAJV-QMTHXVAHSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(c2ccc(Cl)cc2)CCCC1 ZINC000857990462 1136927708 /nfs/dbraw/zinc/92/77/08/1136927708.db2.gz VEDFMZLMJLSPOF-HNNXBMFYSA-N 1 2 329.831 3.610 20 0 EHADLO Cc1cc(CCCC(=O)N2CCNc3[nH+]cc(C)cc32)c(C)s1 ZINC000857997361 1136928279 /nfs/dbraw/zinc/92/82/79/1136928279.db2.gz LTXZOUQULDNVRX-UHFFFAOYSA-N 1 2 329.469 3.850 20 0 EHADLO CSc1ccc(CCCC(=O)N2CCNc3[nH+]cc(C)cc32)cc1 ZINC000858001835 1136928637 /nfs/dbraw/zinc/92/86/37/1136928637.db2.gz HVKOGJIOWKVYJI-UHFFFAOYSA-N 1 2 341.480 3.893 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017342 1136932454 /nfs/dbraw/zinc/93/24/54/1136932454.db2.gz NQVBUGXYFJLHHH-PBHICJAKSA-N 1 2 346.471 3.532 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017342 1136932458 /nfs/dbraw/zinc/93/24/58/1136932458.db2.gz NQVBUGXYFJLHHH-PBHICJAKSA-N 1 2 346.471 3.532 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001136212502 1136932857 /nfs/dbraw/zinc/93/28/57/1136932857.db2.gz CQHQVAYMFBDOSD-MSOLQXFVSA-N 1 2 325.456 3.609 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024141 1136933348 /nfs/dbraw/zinc/93/33/48/1136933348.db2.gz UYLFAOHJYSAVLS-WBMJQRKESA-N 1 2 344.484 3.723 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024141 1136933350 /nfs/dbraw/zinc/93/33/50/1136933350.db2.gz UYLFAOHJYSAVLS-WBMJQRKESA-N 1 2 344.484 3.723 20 0 EHADLO Cc1cc(NC[C@H](O)c2cccc(Br)c2)ccc1[NH+](C)C ZINC000819408174 1136936638 /nfs/dbraw/zinc/93/66/38/1136936638.db2.gz MXAFVDKHQXCISA-KRWDZBQOSA-N 1 2 349.272 3.969 20 0 EHADLO Cc1cc(NC[C@@H](O)COCc2ccc(Cl)cc2)ccc1[NH+](C)C ZINC000819408182 1136936851 /nfs/dbraw/zinc/93/68/51/1136936851.db2.gz NFPYRUAPJOJQLO-GOSISDBHSA-N 1 2 348.874 3.704 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001170929443 1136949376 /nfs/dbraw/zinc/94/93/76/1136949376.db2.gz BWPHDWKLPCJOPV-LBPRGKRZSA-N 1 2 327.428 3.854 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001136319680 1136983879 /nfs/dbraw/zinc/98/38/79/1136983879.db2.gz RPNAEDVMVDRNRK-ZDUSSCGKSA-N 1 2 339.370 3.761 20 0 EHADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001136319679 1136983934 /nfs/dbraw/zinc/98/39/34/1136983934.db2.gz RPNAEDVMVDRNRK-CYBMUJFWSA-N 1 2 339.370 3.761 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000858727259 1136989325 /nfs/dbraw/zinc/98/93/25/1136989325.db2.gz HJQPYWKKUKBBTH-QGZVFWFLSA-N 1 2 340.471 3.811 20 0 EHADLO Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2[nH]cc[nH+]2)s1 ZINC000820533621 1136996137 /nfs/dbraw/zinc/99/61/37/1136996137.db2.gz KUZPSERSICSHFQ-UHFFFAOYSA-N 1 2 339.464 3.594 20 0 EHADLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)OCCF ZINC000859102992 1137003524 /nfs/dbraw/zinc/00/35/24/1137003524.db2.gz BEQPXKQXBCNWPL-UHFFFAOYSA-N 1 2 349.233 3.654 20 0 EHADLO O=C(CC1c2ccccc2Oc2ccccc21)NCCCn1cc[nH+]c1 ZINC000029755465 1137010393 /nfs/dbraw/zinc/01/03/93/1137010393.db2.gz VYPLHVFDLRQHJC-UHFFFAOYSA-N 1 2 347.418 3.717 20 0 EHADLO O=C1C[C@]2(CCC[N@@H+](Cc3cccc(Cl)n3)C2)Oc2ccccc21 ZINC000859580675 1137021144 /nfs/dbraw/zinc/02/11/44/1137021144.db2.gz WEWCAMICYXAFJK-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO O=C1C[C@]2(CCC[N@H+](Cc3cccc(Cl)n3)C2)Oc2ccccc21 ZINC000859580675 1137021146 /nfs/dbraw/zinc/02/11/46/1137021146.db2.gz WEWCAMICYXAFJK-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO c1cc([C@@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CCO2)cs1 ZINC000821386708 1137024944 /nfs/dbraw/zinc/02/49/44/1137024944.db2.gz MYHLFILDQCNTED-ACBHZAAOSA-N 1 2 329.465 3.869 20 0 EHADLO c1cc([C@@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CCO2)cs1 ZINC000821386708 1137024945 /nfs/dbraw/zinc/02/49/45/1137024945.db2.gz MYHLFILDQCNTED-ACBHZAAOSA-N 1 2 329.465 3.869 20 0 EHADLO CCCC[C@H](O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136460935 1137031170 /nfs/dbraw/zinc/03/11/70/1137031170.db2.gz RZESMOPYDOPPJD-AWEZNQCLSA-N 1 2 335.835 3.796 20 0 EHADLO CC(C)c1ccoc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000821629589 1137032911 /nfs/dbraw/zinc/03/29/11/1137032911.db2.gz RZVGZOUOULIJOZ-UHFFFAOYSA-N 1 2 347.484 3.638 20 0 EHADLO CN(C)c1cc(COC(=O)c2ccsc2C(F)(F)F)cc[nH+]1 ZINC000859994343 1137040078 /nfs/dbraw/zinc/04/00/78/1137040078.db2.gz PHAFZANPAVUWMO-UHFFFAOYSA-N 1 2 330.331 3.585 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000860042581 1137041518 /nfs/dbraw/zinc/04/15/18/1137041518.db2.gz HEAAWSFLSVQCNQ-YQRAZLAVSA-N 1 2 347.509 3.789 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000860116964 1137045109 /nfs/dbraw/zinc/04/51/09/1137045109.db2.gz RUXXCHDQWVWZNZ-WMLDXEAASA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000860116964 1137045111 /nfs/dbraw/zinc/04/51/11/1137045111.db2.gz RUXXCHDQWVWZNZ-WMLDXEAASA-N 1 2 343.471 3.892 20 0 EHADLO CC(C)Oc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822733944 1137072152 /nfs/dbraw/zinc/07/21/52/1137072152.db2.gz OVNIVJLADWEUKY-SFHVURJKSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1cc(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)cc(C)[nH+]1 ZINC000823056477 1137084249 /nfs/dbraw/zinc/08/42/49/1137084249.db2.gz BITGMPKFGQMGHH-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC1CCC(F)(F)CC1 ZINC000860975155 1137086775 /nfs/dbraw/zinc/08/67/75/1137086775.db2.gz WKHSYNPQDJIQBZ-UHFFFAOYSA-N 1 2 334.366 3.595 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001137661789 1137088426 /nfs/dbraw/zinc/08/84/26/1137088426.db2.gz ABUFZTVCKDHYBX-RISCZKNCSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001137661789 1137088428 /nfs/dbraw/zinc/08/84/28/1137088428.db2.gz ABUFZTVCKDHYBX-RISCZKNCSA-N 1 2 342.842 3.967 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC000823382211 1137097369 /nfs/dbraw/zinc/09/73/69/1137097369.db2.gz VCUCVLJQNYIWHR-YJNKXOJESA-N 1 2 349.475 3.875 20 0 EHADLO Cc1cccc2cc(-c3nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no3)oc21 ZINC000823392631 1137097901 /nfs/dbraw/zinc/09/79/01/1137097901.db2.gz DEVNVOFKRCUGMM-LBPRGKRZSA-N 1 2 343.383 3.523 20 0 EHADLO C[C@H]1SCC[N@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@@H]1C ZINC000118383662 1137113256 /nfs/dbraw/zinc/11/32/56/1137113256.db2.gz RIUOWLHUZYDUMM-CHWSQXEVSA-N 1 2 340.562 3.847 20 0 EHADLO C[C@H]1SCC[N@@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@@H]1C ZINC000118383662 1137113257 /nfs/dbraw/zinc/11/32/57/1137113257.db2.gz RIUOWLHUZYDUMM-CHWSQXEVSA-N 1 2 340.562 3.847 20 0 EHADLO Cn1nc(C2CC2)cc1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000823812597 1137114086 /nfs/dbraw/zinc/11/40/86/1137114086.db2.gz MXXKKFZNTZDKHY-HXUWFJFHSA-N 1 2 336.414 3.711 20 0 EHADLO CCCOc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1C ZINC000861626782 1137115287 /nfs/dbraw/zinc/11/52/87/1137115287.db2.gz WMACEXWKNLCSOP-UHFFFAOYSA-N 1 2 330.432 3.534 20 0 EHADLO Fc1c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)ccnc1Cl ZINC000824162530 1137127270 /nfs/dbraw/zinc/12/72/70/1137127270.db2.gz VIKSFFUQWJHCMA-UHFFFAOYSA-N 1 2 327.186 3.752 20 0 EHADLO O=C(OCc1ccccc1)c1ccc(C[NH+]2CCC(F)(F)CC2)[nH]1 ZINC000824321412 1137131992 /nfs/dbraw/zinc/13/19/92/1137131992.db2.gz SKNJYHPTJLCZJK-UHFFFAOYSA-N 1 2 334.366 3.603 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)n1 ZINC000862247634 1137134895 /nfs/dbraw/zinc/13/48/95/1137134895.db2.gz KHOJCQIYQHEGCO-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)n1 ZINC000862247634 1137134897 /nfs/dbraw/zinc/13/48/97/1137134897.db2.gz KHOJCQIYQHEGCO-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO O=C1CC2(CC[NH+](Cc3cn4ccccc4n3)CC2)c2cc(F)ccc21 ZINC001136876623 1137138227 /nfs/dbraw/zinc/13/82/27/1137138227.db2.gz DITZBYSSMGIIJD-UHFFFAOYSA-N 1 2 349.409 3.594 20 0 EHADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000824534295 1137141703 /nfs/dbraw/zinc/14/17/03/1137141703.db2.gz AKOXSIXOPNCRLG-LLVKDONJSA-N 1 2 325.334 3.581 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ncc1Br ZINC000862402548 1137142772 /nfs/dbraw/zinc/14/27/72/1137142772.db2.gz ISWUOPVUMKBLHM-ZDUSSCGKSA-N 1 2 331.204 3.774 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ncc1Br ZINC000862402548 1137142773 /nfs/dbraw/zinc/14/27/73/1137142773.db2.gz ISWUOPVUMKBLHM-ZDUSSCGKSA-N 1 2 331.204 3.774 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)[nH]1 ZINC000824602955 1137144897 /nfs/dbraw/zinc/14/48/97/1137144897.db2.gz JAFTWJHUKVMYHS-UHFFFAOYSA-N 1 2 330.379 3.830 20 0 EHADLO Clc1nc2cc(Cl)ccn2c1C[NH+]1CC(Cc2ccco2)C1 ZINC000862487604 1137146879 /nfs/dbraw/zinc/14/68/79/1137146879.db2.gz TWSIFJLBQRCJJJ-UHFFFAOYSA-N 1 2 336.222 3.909 20 0 EHADLO CCCCn1nc(C)c(C[N@H+](C)[C@H](CO)c2ccccc2)c1Cl ZINC000824696565 1137148790 /nfs/dbraw/zinc/14/87/90/1137148790.db2.gz PEGPDMZRMCRVPF-QGZVFWFLSA-N 1 2 335.879 3.810 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+](C)[C@H](CO)c2ccccc2)c1Cl ZINC000824696565 1137148792 /nfs/dbraw/zinc/14/87/92/1137148792.db2.gz PEGPDMZRMCRVPF-QGZVFWFLSA-N 1 2 335.879 3.810 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001136925528 1137149525 /nfs/dbraw/zinc/14/95/25/1137149525.db2.gz CPTYQAFLDXDIKD-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001136925528 1137149527 /nfs/dbraw/zinc/14/95/27/1137149527.db2.gz CPTYQAFLDXDIKD-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CCOCOc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862550206 1137149760 /nfs/dbraw/zinc/14/97/60/1137149760.db2.gz JWBYCVKRZNZXCI-UHFFFAOYSA-N 1 2 331.387 3.593 20 0 EHADLO CCOCOc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862550206 1137149762 /nfs/dbraw/zinc/14/97/62/1137149762.db2.gz JWBYCVKRZNZXCI-UHFFFAOYSA-N 1 2 331.387 3.593 20 0 EHADLO Cc1[nH]c(CN2Cc3ccccc3CN2C(=O)OC(C)(C)C)[nH+]c1C ZINC000862551528 1137149864 /nfs/dbraw/zinc/14/98/64/1137149864.db2.gz RXSSJJFHPXAISG-UHFFFAOYSA-N 1 2 342.443 3.694 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(C2CCCC2)[nH]n1)c1ccc(Cl)cc1 ZINC001136941134 1137154130 /nfs/dbraw/zinc/15/41/30/1137154130.db2.gz HRYNRMKCXUEQRO-KRWDZBQOSA-N 1 2 346.862 3.962 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000824782871 1137154136 /nfs/dbraw/zinc/15/41/36/1137154136.db2.gz OBIMUGZFPRVAEJ-UHFFFAOYSA-N 1 2 341.352 3.958 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@H+](Cc3cnc4c(C)cccn34)CCO2)cc1 ZINC001136965083 1137158211 /nfs/dbraw/zinc/15/82/11/1137158211.db2.gz BULBTRNXFCBMQF-OAQYLSRUSA-N 1 2 335.451 3.699 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cnc4c(C)cccn34)CCO2)cc1 ZINC001136965083 1137158213 /nfs/dbraw/zinc/15/82/13/1137158213.db2.gz BULBTRNXFCBMQF-OAQYLSRUSA-N 1 2 335.451 3.699 20 0 EHADLO CCOc1cc(C[NH2+]Cc2coc(CC)n2)ccc1OC(F)F ZINC000825050188 1137163378 /nfs/dbraw/zinc/16/33/78/1137163378.db2.gz JWUVWTAWHVTIBN-UHFFFAOYSA-N 1 2 326.343 3.527 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)o1 ZINC000825079454 1137164895 /nfs/dbraw/zinc/16/48/95/1137164895.db2.gz UWDFVDBNVOPNAA-UHFFFAOYSA-N 1 2 330.819 3.674 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136989637 1137165618 /nfs/dbraw/zinc/16/56/18/1137165618.db2.gz MRPFIASDZFMBEY-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cncc(Cl)c1 ZINC001136989637 1137165620 /nfs/dbraw/zinc/16/56/20/1137165620.db2.gz MRPFIASDZFMBEY-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC[N@H+](Cc1ncc(C(F)(F)F)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001137010122 1137171097 /nfs/dbraw/zinc/17/10/97/1137171097.db2.gz DKAHIUGMUXRDLA-LBPRGKRZSA-N 1 2 341.377 3.890 20 0 EHADLO CC[N@@H+](Cc1ncc(C(F)(F)F)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001137010122 1137171098 /nfs/dbraw/zinc/17/10/98/1137171098.db2.gz DKAHIUGMUXRDLA-LBPRGKRZSA-N 1 2 341.377 3.890 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000780429252 1137172952 /nfs/dbraw/zinc/17/29/52/1137172952.db2.gz ABJGFCAZUTZZMG-KRWDZBQOSA-N 1 2 342.405 3.700 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000780429252 1137172953 /nfs/dbraw/zinc/17/29/53/1137172953.db2.gz ABJGFCAZUTZZMG-KRWDZBQOSA-N 1 2 342.405 3.700 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171091220 1137179570 /nfs/dbraw/zinc/17/95/70/1137179570.db2.gz NYLNMEXYDGSCJZ-RTBURBONSA-N 1 2 343.854 3.571 20 0 EHADLO CC(C)C[C@H](C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC000825481710 1137181116 /nfs/dbraw/zinc/18/11/16/1137181116.db2.gz KZRRIIKIBQLUTO-RRFJBIMHSA-N 1 2 343.393 3.731 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340938 1137181802 /nfs/dbraw/zinc/18/18/02/1137181802.db2.gz OMXOLWOJAXJSQP-JDGPPOGSSA-N 1 2 334.411 3.612 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340938 1137181804 /nfs/dbraw/zinc/18/18/04/1137181804.db2.gz OMXOLWOJAXJSQP-JDGPPOGSSA-N 1 2 334.411 3.612 20 0 EHADLO CCc1nnc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)o1 ZINC001143627181 1137183971 /nfs/dbraw/zinc/18/39/71/1137183971.db2.gz FDTWKGWBNVROCW-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(Cl)c1 ZINC001143715771 1137191607 /nfs/dbraw/zinc/19/16/07/1137191607.db2.gz QPCHLUJTXGDDBY-UHFFFAOYSA-N 1 2 335.753 3.698 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(Cl)c1 ZINC001143715771 1137191608 /nfs/dbraw/zinc/19/16/08/1137191608.db2.gz QPCHLUJTXGDDBY-UHFFFAOYSA-N 1 2 335.753 3.698 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863619316 1137195389 /nfs/dbraw/zinc/19/53/89/1137195389.db2.gz WWPNTGCWVBOZAS-VIFPVBQESA-N 1 2 329.347 3.839 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863619316 1137195391 /nfs/dbraw/zinc/19/53/91/1137195391.db2.gz WWPNTGCWVBOZAS-VIFPVBQESA-N 1 2 329.347 3.839 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2ccccc21 ZINC001143768757 1137197148 /nfs/dbraw/zinc/19/71/48/1137197148.db2.gz AOTHCIGGNYHEGU-KRWDZBQOSA-N 1 2 331.362 3.546 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2ccccc21 ZINC001143768757 1137197150 /nfs/dbraw/zinc/19/71/50/1137197150.db2.gz AOTHCIGGNYHEGU-KRWDZBQOSA-N 1 2 331.362 3.546 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(-c3cccc(OC(C)C)c3)no2)c1 ZINC000863660952 1137197606 /nfs/dbraw/zinc/19/76/06/1137197606.db2.gz CEFVXLBICCCTPS-KRWDZBQOSA-N 1 2 339.395 3.581 20 0 EHADLO Cc1c(F)cc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143775337 1137198550 /nfs/dbraw/zinc/19/85/50/1137198550.db2.gz JPXZLVKZIMDFKE-MRXNPFEDSA-N 1 2 330.369 3.579 20 0 EHADLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)ccc(Cl)c1Cl)C2 ZINC001143866971 1137206794 /nfs/dbraw/zinc/20/67/94/1137206794.db2.gz RSDMPTVSQFZHBP-DCAQKATOSA-N 1 2 346.229 3.906 20 0 EHADLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)ccc(Cl)c1Cl)C2 ZINC001143866971 1137206795 /nfs/dbraw/zinc/20/67/95/1137206795.db2.gz RSDMPTVSQFZHBP-DCAQKATOSA-N 1 2 346.229 3.906 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(C)c(C)c2)[nH+]1 ZINC000844264092 1137207034 /nfs/dbraw/zinc/20/70/34/1137207034.db2.gz CQQOKVBSKGVPMP-UHFFFAOYSA-N 1 2 327.424 3.813 20 0 EHADLO Cc1cc(NCc2cc(Br)cnc2C)nc(C2CC2)[nH+]1 ZINC001160452192 1137212736 /nfs/dbraw/zinc/21/27/36/1137212736.db2.gz HEERAXAPUMURAB-UHFFFAOYSA-N 1 2 333.233 3.740 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C)n1cc[nH+]c1 ZINC000844418440 1137219401 /nfs/dbraw/zinc/21/94/01/1137219401.db2.gz USYFCOIEVIOOPD-VXGBXAGGSA-N 1 2 346.818 3.679 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2cccc(N)c2)no1)c1cccc(Cl)c1 ZINC000794660905 1137222106 /nfs/dbraw/zinc/22/21/06/1137222106.db2.gz IEVNOKVCDYQCGK-OAHLLOKOSA-N 1 2 328.803 3.623 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1F ZINC000844440802 1137224080 /nfs/dbraw/zinc/22/40/80/1137224080.db2.gz UGOZSJKZVDNYLD-CQSZACIVSA-N 1 2 332.753 3.539 20 0 EHADLO O=C(C[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1F ZINC000844440802 1137224081 /nfs/dbraw/zinc/22/40/81/1137224081.db2.gz UGOZSJKZVDNYLD-CQSZACIVSA-N 1 2 332.753 3.539 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1)n1cc[nH+]c1 ZINC000844530101 1137231662 /nfs/dbraw/zinc/23/16/62/1137231662.db2.gz ADQPCQFSJMTQDH-GHMZBOCLSA-N 1 2 327.306 3.552 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000794702883 1137236040 /nfs/dbraw/zinc/23/60/40/1137236040.db2.gz FZMFQXQRENZRLA-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000794702883 1137236041 /nfs/dbraw/zinc/23/60/41/1137236041.db2.gz FZMFQXQRENZRLA-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001144078646 1137237087 /nfs/dbraw/zinc/23/70/87/1137237087.db2.gz VWABYOSCMOCAQQ-ZDUSSCGKSA-N 1 2 327.409 3.682 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1ccncc1 ZINC000794705514 1137238595 /nfs/dbraw/zinc/23/85/95/1137238595.db2.gz JWABXCSXSXELAT-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1ccncc1 ZINC000794705514 1137238596 /nfs/dbraw/zinc/23/85/96/1137238596.db2.gz JWABXCSXSXELAT-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CCOCc1noc2c1C[N@H+](Cc1cc(CC)c(O)c(CC)c1)CC2 ZINC001144147532 1137244709 /nfs/dbraw/zinc/24/47/09/1137244709.db2.gz DANNBKXSQKKHSG-UHFFFAOYSA-N 1 2 344.455 3.600 20 0 EHADLO CCOCc1noc2c1C[N@@H+](Cc1cc(CC)c(O)c(CC)c1)CC2 ZINC001144147532 1137244710 /nfs/dbraw/zinc/24/47/10/1137244710.db2.gz DANNBKXSQKKHSG-UHFFFAOYSA-N 1 2 344.455 3.600 20 0 EHADLO CCOCCCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000864976283 1137255924 /nfs/dbraw/zinc/25/59/24/1137255924.db2.gz INBQREQWOSYRKC-UHFFFAOYSA-N 1 2 339.505 3.664 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2conc2C2CCCC2)c1C ZINC000865050113 1137260329 /nfs/dbraw/zinc/26/03/29/1137260329.db2.gz ASHHGGWQKCTLIG-UHFFFAOYSA-N 1 2 343.427 3.625 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065429 1137261054 /nfs/dbraw/zinc/26/10/54/1137261054.db2.gz NADHDOGAYVMYJE-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)nc1 ZINC001144253086 1137262157 /nfs/dbraw/zinc/26/21/57/1137262157.db2.gz HCJHIQUGKDJXHQ-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)nc1 ZINC001144253086 1137262158 /nfs/dbraw/zinc/26/21/58/1137262158.db2.gz HCJHIQUGKDJXHQ-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC001144333499 1137274603 /nfs/dbraw/zinc/27/46/03/1137274603.db2.gz GGGMVJWHRXBYBB-UHFFFAOYSA-N 1 2 349.434 3.789 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001144333499 1137274605 /nfs/dbraw/zinc/27/46/05/1137274605.db2.gz GGGMVJWHRXBYBB-UHFFFAOYSA-N 1 2 349.434 3.789 20 0 EHADLO Cn1c(Cn2c[nH+]c(C(C)(C)C)c2)nnc1-c1ccc(Cl)cc1 ZINC000865376523 1137278491 /nfs/dbraw/zinc/27/84/91/1137278491.db2.gz RDDMZCVCULAINK-UHFFFAOYSA-N 1 2 329.835 3.678 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375962 1137278518 /nfs/dbraw/zinc/27/85/18/1137278518.db2.gz SILYGWNHVPZXKN-UHFFFAOYSA-N 1 2 340.471 3.728 20 0 EHADLO Cc1ccc(-c2nc(COC(=O)C[C@H](C)n3cc[nH+]c3)cs2)o1 ZINC000845281395 1137283662 /nfs/dbraw/zinc/28/36/62/1137283662.db2.gz OOUBINWPWWIBSC-NSHDSACASA-N 1 2 331.397 3.603 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cccnc2F)c(Br)c1 ZINC000794838338 1137284231 /nfs/dbraw/zinc/28/42/31/1137284231.db2.gz YIKKXGMTCUCQNU-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3(C(C)C)CC3)CC2)cs1 ZINC000805983261 1137288335 /nfs/dbraw/zinc/28/83/35/1137288335.db2.gz YVKDWAACAQWPCG-UHFFFAOYSA-N 1 2 336.501 3.643 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2C)c1 ZINC000845418215 1137293033 /nfs/dbraw/zinc/29/30/33/1137293033.db2.gz AZWNPWLPJOSHHH-KRWDZBQOSA-N 1 2 348.450 3.743 20 0 EHADLO C[C@@H](CC(=O)O[C@H]1CCc2cc(Br)ccc21)n1cc[nH+]c1 ZINC000845463954 1137293739 /nfs/dbraw/zinc/29/37/39/1137293739.db2.gz UGJFJQNIBRLKMP-NHYWBVRUSA-N 1 2 349.228 3.827 20 0 EHADLO C[C@@H]1CCN(c2nc(Cl)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000865610822 1137298609 /nfs/dbraw/zinc/29/86/09/1137298609.db2.gz ADITYEPXYWLQJM-DOMZBBRYSA-N 1 2 327.819 3.567 20 0 EHADLO COC1([C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C2CCCCC2)CCC1 ZINC000845574590 1137298703 /nfs/dbraw/zinc/29/87/03/1137298703.db2.gz MWRCJQPTIABGHB-CRAIPNDOSA-N 1 2 334.460 3.895 20 0 EHADLO CSc1ccccc1[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845555061 1137299094 /nfs/dbraw/zinc/29/90/94/1137299094.db2.gz DGKROCIUUSJQLH-CYBMUJFWSA-N 1 2 330.453 3.788 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144489791 1137300240 /nfs/dbraw/zinc/30/02/40/1137300240.db2.gz OQJGFFQQZCHHRO-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144489791 1137300241 /nfs/dbraw/zinc/30/02/41/1137300241.db2.gz OQJGFFQQZCHHRO-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c(F)c1 ZINC001144560195 1137309912 /nfs/dbraw/zinc/30/99/12/1137309912.db2.gz UZHFIFDXLZKZCJ-INIZCTEOSA-N 1 2 333.378 3.852 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c(F)c1 ZINC001144560195 1137309914 /nfs/dbraw/zinc/30/99/14/1137309914.db2.gz UZHFIFDXLZKZCJ-INIZCTEOSA-N 1 2 333.378 3.852 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000120764637 1137316633 /nfs/dbraw/zinc/31/66/33/1137316633.db2.gz KFPCUDZHDLVKDR-GFCCVEGCSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000120764637 1137316634 /nfs/dbraw/zinc/31/66/34/1137316634.db2.gz KFPCUDZHDLVKDR-GFCCVEGCSA-N 1 2 336.427 3.692 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3ncn4ccccc34)CC2)c(F)c1 ZINC001144622794 1137319525 /nfs/dbraw/zinc/31/95/25/1137319525.db2.gz LNUNJGUPGGMKBM-UHFFFAOYSA-N 1 2 343.377 3.656 20 0 EHADLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)cc(Cl)c1OC ZINC000846048089 1137330096 /nfs/dbraw/zinc/33/00/96/1137330096.db2.gz DLBZFLOJXWGWOG-UHFFFAOYSA-N 1 2 347.846 3.833 20 0 EHADLO CCN(c1ccc(NC(=O)NCC(C)(C)n2cc[nH+]c2)cc1)C(C)C ZINC000866124870 1137330229 /nfs/dbraw/zinc/33/02/29/1137330229.db2.gz QPBGXIUDKMKAOQ-UHFFFAOYSA-N 1 2 343.475 3.675 20 0 EHADLO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866234049 1137337320 /nfs/dbraw/zinc/33/73/20/1137337320.db2.gz KFUMCFLNYCWULW-YLJYHZDGSA-N 1 2 342.414 3.987 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)n1 ZINC001144732087 1137339565 /nfs/dbraw/zinc/33/95/65/1137339565.db2.gz LJXKBMIVQCAZKK-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)n1 ZINC001144732087 1137339567 /nfs/dbraw/zinc/33/95/67/1137339567.db2.gz LJXKBMIVQCAZKK-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000846211413 1137343624 /nfs/dbraw/zinc/34/36/24/1137343624.db2.gz FQFUMVSIJQTASS-JKSUJKDBSA-N 1 2 349.475 3.866 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@H]2c3ccccc3OC[C@H]2F)n1 ZINC000866307093 1137343978 /nfs/dbraw/zinc/34/39/78/1137343978.db2.gz QIGRKKAEJHXQGB-XLIONFOSSA-N 1 2 337.398 3.742 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866352555 1137348550 /nfs/dbraw/zinc/34/85/50/1137348550.db2.gz AJKIHFJVAKWITF-IBGZPJMESA-N 1 2 349.482 3.892 20 0 EHADLO CCN1C[C@@H](C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)OC1=O ZINC000846805759 1137368205 /nfs/dbraw/zinc/36/82/05/1137368205.db2.gz IEWWGVCIJKPRPS-VQTJNVASSA-N 1 2 336.435 3.627 20 0 EHADLO CCN1C[C@@H](C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)OC1=O ZINC000846805759 1137368207 /nfs/dbraw/zinc/36/82/07/1137368207.db2.gz IEWWGVCIJKPRPS-VQTJNVASSA-N 1 2 336.435 3.627 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846952314 1137378558 /nfs/dbraw/zinc/37/85/58/1137378558.db2.gz MHRJIRRKSHUKPY-HUUCEWRRSA-N 1 2 330.472 3.828 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846952310 1137378663 /nfs/dbraw/zinc/37/86/63/1137378663.db2.gz MHRJIRRKSHUKPY-CABCVRRESA-N 1 2 330.472 3.828 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nnc(-c2cccs2)o1)OCC ZINC000846968853 1137380018 /nfs/dbraw/zinc/38/00/18/1137380018.db2.gz JTYWXOZTYKSXPS-GFCCVEGCSA-N 1 2 339.461 3.580 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nnc(-c2cccs2)o1)OCC ZINC000846968853 1137380020 /nfs/dbraw/zinc/38/00/20/1137380020.db2.gz JTYWXOZTYKSXPS-GFCCVEGCSA-N 1 2 339.461 3.580 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000846979572 1137381857 /nfs/dbraw/zinc/38/18/57/1137381857.db2.gz PKDCMNCKCXVJCQ-ZSMUJPCHSA-N 1 2 330.453 3.650 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000847022343 1137383211 /nfs/dbraw/zinc/38/32/11/1137383211.db2.gz XVPQXDFTRWKTFJ-ASNKMWSDSA-N 1 2 339.439 3.622 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC4(CCC4)C3)c(=S)n2C)cc1 ZINC000121857403 1137387401 /nfs/dbraw/zinc/38/74/01/1137387401.db2.gz GMFITZPNOMUUCZ-UHFFFAOYSA-N 1 2 328.485 3.760 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC4(CCC4)C3)c(=S)n2C)cc1 ZINC000121857403 1137387402 /nfs/dbraw/zinc/38/74/02/1137387402.db2.gz GMFITZPNOMUUCZ-UHFFFAOYSA-N 1 2 328.485 3.760 20 0 EHADLO O=C(CC1Cc2ccccc2C1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001146800733 1137395241 /nfs/dbraw/zinc/39/52/41/1137395241.db2.gz BLTMFCXKTODQQJ-UHFFFAOYSA-N 1 2 331.419 3.675 20 0 EHADLO CSCC[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147311249 1137404822 /nfs/dbraw/zinc/40/48/22/1137404822.db2.gz QMOAJPWXSOYILB-HRCADAONSA-N 1 2 335.517 3.652 20 0 EHADLO COc1cccc2c1C[C@H](Nc1cc(C)c(C(F)(F)F)c[nH+]1)CO2 ZINC001171311254 1137409302 /nfs/dbraw/zinc/40/93/02/1137409302.db2.gz GXOWYUAFSFWCEG-NSHDSACASA-N 1 2 338.329 3.833 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001148580647 1137429070 /nfs/dbraw/zinc/42/90/70/1137429070.db2.gz LNFXKJGSLTXGHZ-PXNSSMCTSA-N 1 2 339.483 3.901 20 0 EHADLO Cc1ccc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H](C)C2)cc1C ZINC001148723885 1137432056 /nfs/dbraw/zinc/43/20/56/1137432056.db2.gz KPKYIAQCVQUAIH-MRXNPFEDSA-N 1 2 348.450 3.531 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000869108524 1137437178 /nfs/dbraw/zinc/43/71/78/1137437178.db2.gz QKHSSCLIFICYNS-WMZOPIPTSA-N 1 2 339.439 3.559 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000869108524 1137437179 /nfs/dbraw/zinc/43/71/79/1137437179.db2.gz QKHSSCLIFICYNS-WMZOPIPTSA-N 1 2 339.439 3.559 20 0 EHADLO COCCCn1nccc1C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000282710870 1137440194 /nfs/dbraw/zinc/44/01/94/1137440194.db2.gz BDHVLFSGSIBHQM-KXBFYZLASA-N 1 2 343.471 3.801 20 0 EHADLO COCCCn1nccc1C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000282710870 1137440195 /nfs/dbraw/zinc/44/01/95/1137440195.db2.gz BDHVLFSGSIBHQM-KXBFYZLASA-N 1 2 343.471 3.801 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccc(F)c(F)c1 ZINC000282782358 1137450847 /nfs/dbraw/zinc/45/08/47/1137450847.db2.gz PRBWLNNTGSBIDD-OAHLLOKOSA-N 1 2 326.774 3.799 20 0 EHADLO COCC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000282786346 1137451300 /nfs/dbraw/zinc/45/13/00/1137451300.db2.gz PWIXDWSXEMEQLY-BOSXTWCSSA-N 1 2 332.488 3.917 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC(C)(C)C ZINC001171348903 1137456010 /nfs/dbraw/zinc/45/60/10/1137456010.db2.gz FTSOCDMFRXFBDQ-BBRMVZONSA-N 1 2 325.399 3.532 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3ccccc3c2)s1 ZINC001171354791 1137456826 /nfs/dbraw/zinc/45/68/26/1137456826.db2.gz UUYUANCOVSLZHJ-LBPRGKRZSA-N 1 2 326.421 3.934 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000713623795 1137470412 /nfs/dbraw/zinc/47/04/12/1137470412.db2.gz JWYFNGOSMMHPIV-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489172 1137491371 /nfs/dbraw/zinc/49/13/71/1137491371.db2.gz RTKFIMTVFBDVGL-WMLDXEAASA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2[C@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489172 1137491373 /nfs/dbraw/zinc/49/13/73/1137491373.db2.gz RTKFIMTVFBDVGL-WMLDXEAASA-N 1 2 333.382 3.741 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@@H]2CCCC[C@H]12 ZINC001171534540 1137493920 /nfs/dbraw/zinc/49/39/20/1137493920.db2.gz WOSOZTXIBIDKOA-DVOMOZLQSA-N 1 2 337.385 3.795 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@@H]2CCCC[C@H]12 ZINC001171534540 1137493921 /nfs/dbraw/zinc/49/39/21/1137493921.db2.gz WOSOZTXIBIDKOA-DVOMOZLQSA-N 1 2 337.385 3.795 20 0 EHADLO C[C@H]1C[C@H](NC(C(F)(F)F)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001171732326 1137507283 /nfs/dbraw/zinc/50/72/83/1137507283.db2.gz IXGUFBGAMPIPPE-JQWIXIFHSA-N 1 2 340.311 3.732 20 0 EHADLO C[C@H]1C[C@H](NC(C(F)(F)F)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001171732326 1137507284 /nfs/dbraw/zinc/50/72/84/1137507284.db2.gz IXGUFBGAMPIPPE-JQWIXIFHSA-N 1 2 340.311 3.732 20 0 EHADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)cc(NC(=O)OC(C)(C)C)c1 ZINC000870736778 1137507851 /nfs/dbraw/zinc/50/78/51/1137507851.db2.gz FOTXNLRBPFWLKZ-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)cc(NC(=O)OC(C)(C)C)c1 ZINC000870736843 1137508254 /nfs/dbraw/zinc/50/82/54/1137508254.db2.gz HTNWOFWUMXGKHP-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)cc(NC(=O)OC(C)(C)C)c1 ZINC000870736843 1137508256 /nfs/dbraw/zinc/50/82/56/1137508256.db2.gz HTNWOFWUMXGKHP-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO COc1cccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1Cl ZINC001171734058 1137510173 /nfs/dbraw/zinc/51/01/73/1137510173.db2.gz AXKCDHUUPVJPHS-GOSISDBHSA-N 1 2 344.886 3.707 20 0 EHADLO COc1cccc(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1Cl ZINC001171734058 1137510175 /nfs/dbraw/zinc/51/01/75/1137510175.db2.gz AXKCDHUUPVJPHS-GOSISDBHSA-N 1 2 344.886 3.707 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC001171921091 1137517563 /nfs/dbraw/zinc/51/75/63/1137517563.db2.gz RYBNNWKFZXICKE-FQEVSTJZSA-N 1 2 343.423 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC001171921091 1137517565 /nfs/dbraw/zinc/51/75/65/1137517565.db2.gz RYBNNWKFZXICKE-FQEVSTJZSA-N 1 2 343.423 3.610 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@](F)(c4ccccc4)C3)ccn12 ZINC000871369989 1137539756 /nfs/dbraw/zinc/53/97/56/1137539756.db2.gz LSLPZIBVKUIHCL-FQEVSTJZSA-N 1 2 337.398 3.744 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172340157 1137552282 /nfs/dbraw/zinc/55/22/82/1137552282.db2.gz RNCNYPGECQJTRW-ULQDDVLXSA-N 1 2 349.519 3.780 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172340157 1137552283 /nfs/dbraw/zinc/55/22/83/1137552283.db2.gz RNCNYPGECQJTRW-ULQDDVLXSA-N 1 2 349.519 3.780 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cscc2C(F)F)c1C ZINC000888589311 1137562122 /nfs/dbraw/zinc/56/21/22/1137562122.db2.gz HRXIWFVTXDJFFD-UHFFFAOYSA-N 1 2 326.368 3.636 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)o1 ZINC000871922971 1137563176 /nfs/dbraw/zinc/56/31/76/1137563176.db2.gz DHPKRVSCMNQZCZ-SFHVURJKSA-N 1 2 326.440 3.687 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccc(O)c1F ZINC000872021005 1137565142 /nfs/dbraw/zinc/56/51/42/1137565142.db2.gz MOWZYQVTOUBEMT-JTQLQIEISA-N 1 2 344.308 3.718 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1F)c1ccc(F)c(F)c1 ZINC000872052383 1137568142 /nfs/dbraw/zinc/56/81/42/1137568142.db2.gz DBPGNHAQBVSLCC-ZUZCIYMTSA-N 1 2 325.330 3.848 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cccc(O)c1F)c1ccc(F)c(F)c1 ZINC000872052382 1137568153 /nfs/dbraw/zinc/56/81/53/1137568153.db2.gz DBPGNHAQBVSLCC-MEBBXXQBSA-N 1 2 325.330 3.848 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc(O)ccc1F ZINC000872080294 1137570140 /nfs/dbraw/zinc/57/01/40/1137570140.db2.gz VFUBDOBEOOKYNO-WKFLNTIRSA-N 1 2 337.416 3.517 20 0 EHADLO CC[C@@H](CC1CCCCC1)[NH2+]C(c1nccn1C)c1nccn1C ZINC000872087891 1137570537 /nfs/dbraw/zinc/57/05/37/1137570537.db2.gz LTQOUTFEMQBEEW-INIZCTEOSA-N 1 2 329.492 3.582 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872281208 1137577735 /nfs/dbraw/zinc/57/77/35/1137577735.db2.gz QNNYDFHOXUJGKH-UKRRQHHQSA-N 1 2 339.505 3.807 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872281208 1137577736 /nfs/dbraw/zinc/57/77/36/1137577736.db2.gz QNNYDFHOXUJGKH-UKRRQHHQSA-N 1 2 339.505 3.807 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cn2nc(Cl)c3ccccc32)c1C ZINC000872631439 1137582028 /nfs/dbraw/zinc/58/20/28/1137582028.db2.gz VDAUJJPIGYDTEP-UHFFFAOYSA-N 1 2 331.851 3.612 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cn2nc(Cl)c3ccccc32)c1C ZINC000872631439 1137582029 /nfs/dbraw/zinc/58/20/29/1137582029.db2.gz VDAUJJPIGYDTEP-UHFFFAOYSA-N 1 2 331.851 3.612 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(O)c(Cl)c1 ZINC000872725931 1137583255 /nfs/dbraw/zinc/58/32/55/1137583255.db2.gz JXBLEPRJNSGLOW-UHFFFAOYSA-N 1 2 331.807 3.552 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872751847 1137583717 /nfs/dbraw/zinc/58/37/17/1137583717.db2.gz HRXZEEAFLGPMBC-HZMBPMFUSA-N 1 2 328.309 3.920 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)(C)C ZINC000872818881 1137584992 /nfs/dbraw/zinc/58/49/92/1137584992.db2.gz RALMTBAFRCJRBP-CQSZACIVSA-N 1 2 331.435 3.621 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)(C)C ZINC000872818881 1137584993 /nfs/dbraw/zinc/58/49/93/1137584993.db2.gz RALMTBAFRCJRBP-CQSZACIVSA-N 1 2 331.435 3.621 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000873008921 1137587844 /nfs/dbraw/zinc/58/78/44/1137587844.db2.gz VUNMPEUDIQJWJP-UHFFFAOYSA-N 1 2 330.403 3.570 20 0 EHADLO Cc1csc(C[NH2+]Cc2c(C)ccc(Br)c2F)n1 ZINC000873010693 1137588052 /nfs/dbraw/zinc/58/80/52/1137588052.db2.gz LMBVCKBZSFCILY-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO CC(C)n1nccc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873176131 1137592510 /nfs/dbraw/zinc/59/25/10/1137592510.db2.gz DQZYYWAWZFTRQR-UHFFFAOYSA-N 1 2 332.354 3.687 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)c2C1 ZINC000873175633 1137592552 /nfs/dbraw/zinc/59/25/52/1137592552.db2.gz YCYRGRNCLBQHHH-UHFFFAOYSA-N 1 2 342.468 3.931 20 0 EHADLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)O1 ZINC001137865914 1137608790 /nfs/dbraw/zinc/60/87/90/1137608790.db2.gz PEQGLYGZQQHFJU-OAHLLOKOSA-N 1 2 331.309 3.516 20 0 EHADLO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)O1 ZINC001137865914 1137608791 /nfs/dbraw/zinc/60/87/91/1137608791.db2.gz PEQGLYGZQQHFJU-OAHLLOKOSA-N 1 2 331.309 3.516 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000874155058 1137611212 /nfs/dbraw/zinc/61/12/12/1137611212.db2.gz VZHOPIDGNNZCNH-ZYHUDNBSSA-N 1 2 331.363 3.624 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nc3ccccc3cc2C)c1C ZINC000874250412 1137612116 /nfs/dbraw/zinc/61/21/16/1137612116.db2.gz QXXRRIQGMFTTRC-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccnn1C1CCCCC1)n1cc[nH+]c1 ZINC000874302383 1137612781 /nfs/dbraw/zinc/61/27/81/1137612781.db2.gz KMPAUAJGJCNVJB-INIZCTEOSA-N 1 2 329.448 3.811 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)Cc2ccc(C)s2)c1C ZINC000124985465 1137613692 /nfs/dbraw/zinc/61/36/92/1137613692.db2.gz NWGSYPIRQFPHGH-GFCCVEGCSA-N 1 2 347.484 3.507 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000825774298 1137630327 /nfs/dbraw/zinc/63/03/27/1137630327.db2.gz WBWMRONTKMPRDN-ZDUSSCGKSA-N 1 2 340.261 3.585 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000825774298 1137630328 /nfs/dbraw/zinc/63/03/28/1137630328.db2.gz WBWMRONTKMPRDN-ZDUSSCGKSA-N 1 2 340.261 3.585 20 0 EHADLO COc1cc2c(c(C[N@H+](C)Cc3ccc(Cl)nc3)c1)O[C@H](C)C2 ZINC000125704687 1137641718 /nfs/dbraw/zinc/64/17/18/1137641718.db2.gz FCEWFWOWSJUCQL-GFCCVEGCSA-N 1 2 332.831 3.699 20 0 EHADLO COc1cc2c(c(C[N@@H+](C)Cc3ccc(Cl)nc3)c1)O[C@H](C)C2 ZINC000125704687 1137641719 /nfs/dbraw/zinc/64/17/19/1137641719.db2.gz FCEWFWOWSJUCQL-GFCCVEGCSA-N 1 2 332.831 3.699 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876548306 1137655081 /nfs/dbraw/zinc/65/50/81/1137655081.db2.gz BQOGWEWPCWBWCO-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876548306 1137655082 /nfs/dbraw/zinc/65/50/82/1137655082.db2.gz BQOGWEWPCWBWCO-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876648020 1137658144 /nfs/dbraw/zinc/65/81/44/1137658144.db2.gz LGUJZDTYMXJQRP-CQSZACIVSA-N 1 2 342.874 3.546 20 0 EHADLO CCO[P@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000876954932 1137666158 /nfs/dbraw/zinc/66/61/58/1137666158.db2.gz PVWBOSDNCLLXTG-PEBXRYMYSA-N 1 2 325.393 3.817 20 0 EHADLO CCC[N@H+](Cc1ccc(Cl)nn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000877482362 1137677892 /nfs/dbraw/zinc/67/78/92/1137677892.db2.gz HWCZAXSSZBCTSP-CQSZACIVSA-N 1 2 346.862 3.678 20 0 EHADLO CCC[N@@H+](Cc1ccc(Cl)nn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000877482362 1137677893 /nfs/dbraw/zinc/67/78/93/1137677893.db2.gz HWCZAXSSZBCTSP-CQSZACIVSA-N 1 2 346.862 3.678 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@H](C)c3ccccc3)cc2)CC1 ZINC000877773814 1137689412 /nfs/dbraw/zinc/68/94/12/1137689412.db2.gz ADRWDQRZSAVLSI-KRWDZBQOSA-N 1 2 337.467 3.571 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877819745 1137691566 /nfs/dbraw/zinc/69/15/66/1137691566.db2.gz DDLFKRQRMFGGCI-MRXNPFEDSA-N 1 2 346.368 3.579 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877819745 1137691567 /nfs/dbraw/zinc/69/15/67/1137691567.db2.gz DDLFKRQRMFGGCI-MRXNPFEDSA-N 1 2 346.368 3.579 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877822630 1137691861 /nfs/dbraw/zinc/69/18/61/1137691861.db2.gz STLUYUJHDPKTFN-LBPRGKRZSA-N 1 2 343.267 3.580 20 0 EHADLO Fc1cc(OC(F)F)ccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877822630 1137691862 /nfs/dbraw/zinc/69/18/62/1137691862.db2.gz STLUYUJHDPKTFN-LBPRGKRZSA-N 1 2 343.267 3.580 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2coc(-c3ccccc3OC)n2)c1 ZINC000877931258 1137696151 /nfs/dbraw/zinc/69/61/51/1137696151.db2.gz JUAAALYDVNAICX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2coc(-c3ccccc3OC)n2)c1 ZINC000877931258 1137696152 /nfs/dbraw/zinc/69/61/52/1137696152.db2.gz JUAAALYDVNAICX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000877975627 1137697948 /nfs/dbraw/zinc/69/79/48/1137697948.db2.gz BATKMLPJHCJJMG-KBPBESRZSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000877975627 1137697949 /nfs/dbraw/zinc/69/79/49/1137697949.db2.gz BATKMLPJHCJJMG-KBPBESRZSA-N 1 2 346.862 3.578 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000878166575 1137705407 /nfs/dbraw/zinc/70/54/07/1137705407.db2.gz YZFICJUAMHQIAZ-QGZVFWFLSA-N 1 2 341.492 3.956 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000878166575 1137705408 /nfs/dbraw/zinc/70/54/08/1137705408.db2.gz YZFICJUAMHQIAZ-QGZVFWFLSA-N 1 2 341.492 3.956 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)C(C)C ZINC000878247965 1137708504 /nfs/dbraw/zinc/70/85/04/1137708504.db2.gz MFSUWIQTORVWQX-KRWDZBQOSA-N 1 2 338.411 3.633 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878294601 1137710047 /nfs/dbraw/zinc/71/00/47/1137710047.db2.gz MNSHIHISPFVMGC-ZDUSSCGKSA-N 1 2 332.831 3.860 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878294601 1137710048 /nfs/dbraw/zinc/71/00/48/1137710048.db2.gz MNSHIHISPFVMGC-ZDUSSCGKSA-N 1 2 332.831 3.860 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878317229 1137710876 /nfs/dbraw/zinc/71/08/76/1137710876.db2.gz OOCOIQFIVJNSSP-MRXNPFEDSA-N 1 2 327.457 3.522 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878317229 1137710877 /nfs/dbraw/zinc/71/08/77/1137710877.db2.gz OOCOIQFIVJNSSP-MRXNPFEDSA-N 1 2 327.457 3.522 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CC[C@H]2CC(C)(C)CO2)n1 ZINC000878379591 1137713545 /nfs/dbraw/zinc/71/35/45/1137713545.db2.gz SYCRLRPZLUYPQB-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391297 1137713991 /nfs/dbraw/zinc/71/39/91/1137713991.db2.gz CYRLYEPNTLJCDL-QWRGUYRKSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878391297 1137713992 /nfs/dbraw/zinc/71/39/92/1137713992.db2.gz CYRLYEPNTLJCDL-QWRGUYRKSA-N 1 2 341.333 3.605 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](OC(F)F)C2)co1 ZINC000878394416 1137714110 /nfs/dbraw/zinc/71/41/10/1137714110.db2.gz VLDIYBROGIHODO-ZDUSSCGKSA-N 1 2 338.354 3.554 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](OC(F)F)C2)co1 ZINC000878394416 1137714111 /nfs/dbraw/zinc/71/41/11/1137714111.db2.gz VLDIYBROGIHODO-ZDUSSCGKSA-N 1 2 338.354 3.554 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccn3)C2)sc1Br ZINC000878553254 1137719940 /nfs/dbraw/zinc/71/99/40/1137719940.db2.gz OKRQIHLKUXOQNA-NSHDSACASA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3ccccn3)C2)sc1Br ZINC000878553254 1137719941 /nfs/dbraw/zinc/71/99/41/1137719941.db2.gz OKRQIHLKUXOQNA-NSHDSACASA-N 1 2 338.274 3.599 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H]3c3cncc(C)c3)ccc2[nH+]1 ZINC000878564469 1137720480 /nfs/dbraw/zinc/72/04/80/1137720480.db2.gz APQDGRKWBVPOIZ-KRWDZBQOSA-N 1 2 335.411 3.715 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615341 1137722348 /nfs/dbraw/zinc/72/23/48/1137722348.db2.gz CBWNZBBITLANMQ-BZUAXINKSA-N 1 2 349.475 3.653 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615341 1137722349 /nfs/dbraw/zinc/72/23/49/1137722349.db2.gz CBWNZBBITLANMQ-BZUAXINKSA-N 1 2 349.475 3.653 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)co1 ZINC000878627391 1137722966 /nfs/dbraw/zinc/72/29/66/1137722966.db2.gz PKPMUFNOAQQNHT-ZWKOTPCHSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)co1 ZINC000878627391 1137722967 /nfs/dbraw/zinc/72/29/67/1137722967.db2.gz PKPMUFNOAQQNHT-ZWKOTPCHSA-N 1 2 342.439 3.740 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ncccn3)cc(=O)oc2c1C ZINC000878977156 1137734084 /nfs/dbraw/zinc/73/40/84/1137734084.db2.gz ZLZPURPHCLYDKP-KRWDZBQOSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ncccn3)cc(=O)oc2c1C ZINC000878977156 1137734085 /nfs/dbraw/zinc/73/40/85/1137734085.db2.gz ZLZPURPHCLYDKP-KRWDZBQOSA-N 1 2 335.407 3.537 20 0 EHADLO COC[C@@H]1CCC[N@@H+]1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000879050251 1137736446 /nfs/dbraw/zinc/73/64/46/1137736446.db2.gz CXNVKKYDTQMSKZ-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO COC[C@@H]1CCC[N@H+]1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000879050251 1137736447 /nfs/dbraw/zinc/73/64/47/1137736447.db2.gz CXNVKKYDTQMSKZ-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001137140242 1137737218 /nfs/dbraw/zinc/73/72/18/1137737218.db2.gz REYFIQQACKGOLT-UHFFFAOYSA-N 1 2 343.471 3.949 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000879606525 1137752238 /nfs/dbraw/zinc/75/22/38/1137752238.db2.gz WARCNEKQTJHHBS-QFBILLFUSA-N 1 2 341.455 3.983 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000879746967 1137757522 /nfs/dbraw/zinc/75/75/22/1137757522.db2.gz IVMTZDOFUPSUER-FQEVSTJZSA-N 1 2 332.451 3.972 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000879746967 1137757523 /nfs/dbraw/zinc/75/75/23/1137757523.db2.gz IVMTZDOFUPSUER-FQEVSTJZSA-N 1 2 332.451 3.972 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000880000627 1137764327 /nfs/dbraw/zinc/76/43/27/1137764327.db2.gz XHMBXUAPQDRWCX-CQSZACIVSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000880000627 1137764328 /nfs/dbraw/zinc/76/43/28/1137764328.db2.gz XHMBXUAPQDRWCX-CQSZACIVSA-N 1 2 329.297 3.650 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000880007255 1137764903 /nfs/dbraw/zinc/76/49/03/1137764903.db2.gz CCLPSMTXEUIGMH-LLVKDONJSA-N 1 2 332.454 3.553 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000880007255 1137764904 /nfs/dbraw/zinc/76/49/04/1137764904.db2.gz CCLPSMTXEUIGMH-LLVKDONJSA-N 1 2 332.454 3.553 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000880009046 1137765029 /nfs/dbraw/zinc/76/50/29/1137765029.db2.gz JFODOLJBOOLWEB-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000880009046 1137765030 /nfs/dbraw/zinc/76/50/30/1137765030.db2.gz JFODOLJBOOLWEB-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000880009377 1137765266 /nfs/dbraw/zinc/76/52/66/1137765266.db2.gz MHQRMEFPZSNJFI-VIFPVBQESA-N 1 2 333.404 3.916 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000880009377 1137765267 /nfs/dbraw/zinc/76/52/67/1137765267.db2.gz MHQRMEFPZSNJFI-VIFPVBQESA-N 1 2 333.404 3.916 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(O)ccc1Cl)CC2 ZINC000880031737 1137766149 /nfs/dbraw/zinc/76/61/49/1137766149.db2.gz GLHMRCQZSDIRQJ-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(O)ccc1Cl)CC2 ZINC000880031737 1137766150 /nfs/dbraw/zinc/76/61/50/1137766150.db2.gz GLHMRCQZSDIRQJ-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1nsc3ccccc13)CC2 ZINC000880034216 1137766314 /nfs/dbraw/zinc/76/63/14/1137766314.db2.gz QRZJVUAGCXLRFY-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1nsc3ccccc13)CC2 ZINC000880034216 1137766315 /nfs/dbraw/zinc/76/63/15/1137766315.db2.gz QRZJVUAGCXLRFY-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1F ZINC000880109068 1137768467 /nfs/dbraw/zinc/76/84/67/1137768467.db2.gz PAJMJLBQMLRJKR-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCc1csc(C)n1)C3 ZINC000880369825 1137776747 /nfs/dbraw/zinc/77/67/47/1137776747.db2.gz QMOQQVULHPLDRI-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCc1csc(C)n1)C3 ZINC000880369825 1137776748 /nfs/dbraw/zinc/77/67/48/1137776748.db2.gz QMOQQVULHPLDRI-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@H](CO)c1ccccc1 ZINC000880460093 1137779185 /nfs/dbraw/zinc/77/91/85/1137779185.db2.gz PMKOFBXWILVASK-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@H](CO)c1ccccc1 ZINC000880460093 1137779186 /nfs/dbraw/zinc/77/91/86/1137779186.db2.gz PMKOFBXWILVASK-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO OC[C@@H]1C=CC[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000880484840 1137779827 /nfs/dbraw/zinc/77/98/27/1137779827.db2.gz UVSBMPKFCQQTJA-AWEZNQCLSA-N 1 2 340.370 3.562 20 0 EHADLO OC[C@@H]1C=CC[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000880484840 1137779828 /nfs/dbraw/zinc/77/98/28/1137779828.db2.gz UVSBMPKFCQQTJA-AWEZNQCLSA-N 1 2 340.370 3.562 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000880688334 1137784587 /nfs/dbraw/zinc/78/45/87/1137784587.db2.gz UGABTZVBEDMEBA-SNVBAGLBSA-N 1 2 338.333 3.518 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132652 1137786592 /nfs/dbraw/zinc/78/65/92/1137786592.db2.gz SHADIQIICLSBTK-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132652 1137786593 /nfs/dbraw/zinc/78/65/93/1137786593.db2.gz SHADIQIICLSBTK-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000880866088 1137792294 /nfs/dbraw/zinc/79/22/94/1137792294.db2.gz QSCCTCMUQGOXHN-UHFFFAOYSA-N 1 2 340.427 3.638 20 0 EHADLO FC(F)Cn1cc[nH+]c1Cn1cc(-c2cccc(C3CCC3)c2)nn1 ZINC000881362432 1137806425 /nfs/dbraw/zinc/80/64/25/1137806425.db2.gz QGWDDASLDMKPSO-UHFFFAOYSA-N 1 2 343.381 3.723 20 0 EHADLO C[C@@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129015741 1137807549 /nfs/dbraw/zinc/80/75/49/1137807549.db2.gz ALMAACJSJLLHKY-PBHICJAKSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129015741 1137807550 /nfs/dbraw/zinc/80/75/50/1137807550.db2.gz ALMAACJSJLLHKY-PBHICJAKSA-N 1 2 329.419 3.517 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000129009193 1137807618 /nfs/dbraw/zinc/80/76/18/1137807618.db2.gz LVJKLPNWLXCINT-HXUWFJFHSA-N 1 2 349.409 3.844 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000129009193 1137807619 /nfs/dbraw/zinc/80/76/19/1137807619.db2.gz LVJKLPNWLXCINT-HXUWFJFHSA-N 1 2 349.409 3.844 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@@H]1CCCC1(F)F ZINC000881585393 1137810835 /nfs/dbraw/zinc/81/08/35/1137810835.db2.gz AHPGVQZCEZHBMI-JKSUJKDBSA-N 1 2 347.409 3.873 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656991 1137812839 /nfs/dbraw/zinc/81/28/39/1137812839.db2.gz ITRNRMIHXYXOTA-WFASDCNBSA-N 1 2 347.409 3.661 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656991 1137812840 /nfs/dbraw/zinc/81/28/40/1137812840.db2.gz ITRNRMIHXYXOTA-WFASDCNBSA-N 1 2 347.409 3.661 20 0 EHADLO Fc1ccc2cc(N3CCC[N@H+](Cc4cscn4)CC3)ncc2c1 ZINC000881910525 1137817310 /nfs/dbraw/zinc/81/73/10/1137817310.db2.gz OTZUJIUJPRIQAP-UHFFFAOYSA-N 1 2 342.443 3.543 20 0 EHADLO Fc1ccc2cc(N3CCC[N@@H+](Cc4cscn4)CC3)ncc2c1 ZINC000881910525 1137817311 /nfs/dbraw/zinc/81/73/11/1137817311.db2.gz OTZUJIUJPRIQAP-UHFFFAOYSA-N 1 2 342.443 3.543 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137169741 1137817877 /nfs/dbraw/zinc/81/78/77/1137817877.db2.gz QXTKNBAIEWDNBW-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137169741 1137817878 /nfs/dbraw/zinc/81/78/78/1137817878.db2.gz QXTKNBAIEWDNBW-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904649 1137821036 /nfs/dbraw/zinc/82/10/36/1137821036.db2.gz OLTFTBZXRVREMJ-QZTJIDSGSA-N 1 2 325.456 3.585 20 0 EHADLO OC1(c2ccccc2C(F)(F)F)CCN(c2cc[nH+]cc2F)CC1 ZINC000882266432 1137824673 /nfs/dbraw/zinc/82/46/73/1137824673.db2.gz GOVWCWJISOXVIK-UHFFFAOYSA-N 1 2 340.320 3.728 20 0 EHADLO FC1CCN(c2cc(N3CCC(F)CC3)c3ccncc3[nH+]2)CC1 ZINC000882805432 1137834691 /nfs/dbraw/zinc/83/46/91/1137834691.db2.gz FVPGRZRZQQUIFO-UHFFFAOYSA-N 1 2 332.398 3.506 20 0 EHADLO c1csc([C@@H]2CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)n1 ZINC000882855288 1137835819 /nfs/dbraw/zinc/83/58/19/1137835819.db2.gz GGEBZOZOEFKKIG-OAHLLOKOSA-N 1 2 337.452 3.539 20 0 EHADLO c1csc([C@@H]2CCN(c3cc(NCc4ccccc4)nc[nH+]3)C2)n1 ZINC000882855288 1137835820 /nfs/dbraw/zinc/83/58/20/1137835820.db2.gz GGEBZOZOEFKKIG-OAHLLOKOSA-N 1 2 337.452 3.539 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872527 1137836286 /nfs/dbraw/zinc/83/62/86/1137836286.db2.gz HCKOFXHYDQTECB-LPHOPBHVSA-N 1 2 341.455 3.526 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCCC[C@H](C2CCOCC2)C1)n1cc[nH+]c1 ZINC000882917206 1137838469 /nfs/dbraw/zinc/83/84/69/1137838469.db2.gz GWHYWUHHSBTXQK-RBUKOAKNSA-N 1 2 347.503 3.526 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000626155101 1137840119 /nfs/dbraw/zinc/84/01/19/1137840119.db2.gz FSJKIHTYKBSYMA-KRWDZBQOSA-N 1 2 335.517 3.681 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000626155101 1137840120 /nfs/dbraw/zinc/84/01/20/1137840120.db2.gz FSJKIHTYKBSYMA-KRWDZBQOSA-N 1 2 335.517 3.681 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c(OC[C@@H]2CCOC2)c1 ZINC000883036485 1137842264 /nfs/dbraw/zinc/84/22/64/1137842264.db2.gz NIXHEXFKTGUCOY-MRXNPFEDSA-N 1 2 343.471 3.547 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000130961798 1137844368 /nfs/dbraw/zinc/84/43/68/1137844368.db2.gz GIWFQTSMRVESQI-OWBHPGMISA-N 1 2 343.858 3.635 20 0 EHADLO Fc1cc(C[NH2+]C2(c3ncccn3)CCC2)cc(C(F)(F)F)c1 ZINC000883307302 1137853692 /nfs/dbraw/zinc/85/36/92/1137853692.db2.gz QPMIXORGJTVXME-UHFFFAOYSA-N 1 2 325.309 3.804 20 0 EHADLO COc1cc([C@H](C)[NH2+]C2(c3ncccn3)CCC2)ccc1SC ZINC000883313816 1137854114 /nfs/dbraw/zinc/85/41/14/1137854114.db2.gz NFXXSRGUPJIBEO-ZDUSSCGKSA-N 1 2 329.469 3.937 20 0 EHADLO COc1cc([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)ccc1SC ZINC000883313815 1137854117 /nfs/dbraw/zinc/85/41/17/1137854117.db2.gz NFXXSRGUPJIBEO-CYBMUJFWSA-N 1 2 329.469 3.937 20 0 EHADLO COc1cc([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)ccc1OC(F)F ZINC000883314116 1137854154 /nfs/dbraw/zinc/85/41/54/1137854154.db2.gz WCVLUIDQGJOPFF-GFCCVEGCSA-N 1 2 349.381 3.817 20 0 EHADLO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCCc3[nH]ncc31)CCCC2 ZINC000883348103 1137856746 /nfs/dbraw/zinc/85/67/46/1137856746.db2.gz HPZWZDZUXHWRGV-IRXDYDNUSA-N 1 2 341.455 3.862 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883381713 1137858422 /nfs/dbraw/zinc/85/84/22/1137858422.db2.gz RRLVUEYSHAGOJK-DZGCQCFKSA-N 1 2 327.325 3.554 20 0 EHADLO F[C@@H]1COc2ccccc2[C@H]1N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388988 1137859167 /nfs/dbraw/zinc/85/91/67/1137859167.db2.gz IHDLDTKJGYYBLV-WSTZPKSXSA-N 1 2 337.398 3.686 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ncccc1Br ZINC000883464511 1137861168 /nfs/dbraw/zinc/86/11/68/1137861168.db2.gz OYTMYMACPDQKDH-HNNXBMFYSA-N 1 2 332.245 3.879 20 0 EHADLO O=C(C[NH2+]C1(c2c(F)cccc2F)CCC1)Nc1ccccc1F ZINC000626178109 1137866557 /nfs/dbraw/zinc/86/65/57/1137866557.db2.gz GIWSOCJBLARIJU-UHFFFAOYSA-N 1 2 334.341 3.711 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132711179 1137868602 /nfs/dbraw/zinc/86/86/02/1137868602.db2.gz ITKXRCNGPPENKC-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132711179 1137868603 /nfs/dbraw/zinc/86/86/03/1137868603.db2.gz ITKXRCNGPPENKC-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000101545161 1137870793 /nfs/dbraw/zinc/87/07/93/1137870793.db2.gz OUEXSMCCYGOCHV-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000101545161 1137870794 /nfs/dbraw/zinc/87/07/94/1137870794.db2.gz OUEXSMCCYGOCHV-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875773 1137884781 /nfs/dbraw/zinc/88/47/81/1137884781.db2.gz KERFQVOLOMZYEP-ZDUSSCGKSA-N 1 2 347.484 3.708 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875773 1137884782 /nfs/dbraw/zinc/88/47/82/1137884782.db2.gz KERFQVOLOMZYEP-ZDUSSCGKSA-N 1 2 347.484 3.708 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2[nH]ccc2c1 ZINC000107566359 1137887459 /nfs/dbraw/zinc/88/74/59/1137887459.db2.gz QLTFTPVJWDYTBW-UHFFFAOYSA-N 1 2 340.452 3.863 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000111376874 1137904551 /nfs/dbraw/zinc/90/45/51/1137904551.db2.gz SGVUHBDXVAUXJJ-AVGNSLFASA-N 1 2 349.475 3.761 20 0 EHADLO CCCCOc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111734632 1137905298 /nfs/dbraw/zinc/90/52/98/1137905298.db2.gz CBSGVFIOTYDECX-UHFFFAOYSA-N 1 2 342.443 3.931 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000114713335 1137918675 /nfs/dbraw/zinc/91/86/75/1137918675.db2.gz RORZEOIGHDTBIF-UHFFFAOYSA-N 1 2 335.407 3.822 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000331987138 1137927824 /nfs/dbraw/zinc/92/78/24/1137927824.db2.gz UESCMNNKVZBEEI-INIZCTEOSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000331987138 1137927825 /nfs/dbraw/zinc/92/78/25/1137927825.db2.gz UESCMNNKVZBEEI-INIZCTEOSA-N 1 2 329.444 3.885 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1cnn(C)c1 ZINC000348311433 1137934166 /nfs/dbraw/zinc/93/41/66/1137934166.db2.gz CFGUIXNEVQMEAV-MNOVXSKESA-N 1 2 331.807 3.535 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C)cc1 ZINC000332166262 1137934259 /nfs/dbraw/zinc/93/42/59/1137934259.db2.gz KUKQASMWUUMENE-IRXDYDNUSA-N 1 2 326.444 3.758 20 0 EHADLO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000119124286 1137938368 /nfs/dbraw/zinc/93/83/68/1137938368.db2.gz VXNXNQYQLCXOKW-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000119124286 1137938369 /nfs/dbraw/zinc/93/83/69/1137938369.db2.gz VXNXNQYQLCXOKW-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000332398249 1137942617 /nfs/dbraw/zinc/94/26/17/1137942617.db2.gz MHRYJSBHCVUSCP-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000332398249 1137942618 /nfs/dbraw/zinc/94/26/18/1137942618.db2.gz MHRYJSBHCVUSCP-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO COc1cc(SC)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332421248 1137943409 /nfs/dbraw/zinc/94/34/09/1137943409.db2.gz WOJCXGHSTOZTAB-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@]1=O ZINC000429565629 1137943775 /nfs/dbraw/zinc/94/37/75/1137943775.db2.gz IJLJUYWPQQHCFT-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@]1=O ZINC000429565629 1137943776 /nfs/dbraw/zinc/94/37/76/1137943776.db2.gz IJLJUYWPQQHCFT-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO CC(C)c1ccc(CCCNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000120311617 1137948404 /nfs/dbraw/zinc/94/84/04/1137948404.db2.gz IFNIACFEPZEIGF-UHFFFAOYSA-N 1 2 342.487 3.671 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(C(=O)c4ccccc4)CC3)ccc2c1 ZINC001137209748 1137960259 /nfs/dbraw/zinc/96/02/59/1137960259.db2.gz RFXMMRYIPMCYGV-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO COc1ccc2cccc(CC(=O)Nc3ccn4cc[nH+]c4c3)c2c1 ZINC000348341869 1137983350 /nfs/dbraw/zinc/98/33/50/1137983350.db2.gz AHFLTIGVUQIWGP-UHFFFAOYSA-N 1 2 331.375 3.677 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000885233255 1137990026 /nfs/dbraw/zinc/99/00/26/1137990026.db2.gz ABAWAKNPBMDOEB-QGZVFWFLSA-N 1 2 346.434 3.676 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cnn(Cc2ccccc2)c1 ZINC000348345636 1137996173 /nfs/dbraw/zinc/99/61/73/1137996173.db2.gz QAGDTWKQNGKZQY-OAHLLOKOSA-N 1 2 332.407 3.923 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C2CCC2)cc1 ZINC000885403617 1137999535 /nfs/dbraw/zinc/99/95/35/1137999535.db2.gz VUWQEYIWJFQMAA-KUHUBIRLSA-N 1 2 327.428 3.500 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248330 1138022993 /nfs/dbraw/zinc/02/29/93/1138022993.db2.gz MXMVFKHNROSTSS-AEFFLSMTSA-N 1 2 328.460 3.845 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1(C(F)F)CCCC1 ZINC000890248362 1138023149 /nfs/dbraw/zinc/02/31/49/1138023149.db2.gz NNDDGVNBUJQBBT-HNNXBMFYSA-N 1 2 348.397 3.502 20 0 EHADLO OC1CC[NH+](c2ccc(NC/C=C\c3cccc(F)c3)cc2)CC1 ZINC000885933370 1138026520 /nfs/dbraw/zinc/02/65/20/1138026520.db2.gz RSQNAXBZBRDIIW-RQOWECAXSA-N 1 2 326.415 3.912 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1OC ZINC000885959864 1138028460 /nfs/dbraw/zinc/02/84/60/1138028460.db2.gz CURVYWMIQXIOSR-UHFFFAOYSA-N 1 2 338.407 3.957 20 0 EHADLO CN1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)Cc2cccnc21 ZINC001137224709 1138038870 /nfs/dbraw/zinc/03/88/70/1138038870.db2.gz RQBNHHOSPIFUOY-UHFFFAOYSA-N 1 2 338.842 3.735 20 0 EHADLO CN1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)Cc2cccnc21 ZINC001137224709 1138038871 /nfs/dbraw/zinc/03/88/71/1138038871.db2.gz RQBNHHOSPIFUOY-UHFFFAOYSA-N 1 2 338.842 3.735 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1C2CCCC1CCC2 ZINC000890259761 1138041491 /nfs/dbraw/zinc/04/14/91/1138041491.db2.gz BYUKCWFGDPGDQC-ACBHZAAOSA-N 1 2 338.455 3.741 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000890260938 1138043648 /nfs/dbraw/zinc/04/36/48/1138043648.db2.gz ORLLRGOVUSRYND-QRVBRYPASA-N 1 2 338.455 3.599 20 0 EHADLO Cc1coc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000886107225 1138047526 /nfs/dbraw/zinc/04/75/26/1138047526.db2.gz NKLYVLVBELILKY-CYBMUJFWSA-N 1 2 326.165 3.713 20 0 EHADLO O=C(Nc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000348376426 1138065016 /nfs/dbraw/zinc/06/50/16/1138065016.db2.gz CIOOZNXFPXWTHT-OAHLLOKOSA-N 1 2 345.393 3.751 20 0 EHADLO O=C(Nc1ccccc1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000348376426 1138065018 /nfs/dbraw/zinc/06/50/18/1138065018.db2.gz CIOOZNXFPXWTHT-OAHLLOKOSA-N 1 2 345.393 3.751 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000066566060 1138076083 /nfs/dbraw/zinc/07/60/83/1138076083.db2.gz QBTCHDQODCAUFI-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000066566060 1138076085 /nfs/dbraw/zinc/07/60/85/1138076085.db2.gz QBTCHDQODCAUFI-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)cs1 ZINC000886544819 1138093810 /nfs/dbraw/zinc/09/38/10/1138093810.db2.gz BFCNBRAQDLYJRN-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)cs1 ZINC000886544819 1138093813 /nfs/dbraw/zinc/09/38/13/1138093813.db2.gz BFCNBRAQDLYJRN-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(Cl)n1 ZINC000072555867 1138105566 /nfs/dbraw/zinc/10/55/66/1138105566.db2.gz GWYGITNYSARMEN-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(Cl)n1 ZINC000072555867 1138105567 /nfs/dbraw/zinc/10/55/67/1138105567.db2.gz GWYGITNYSARMEN-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072630924 1138106629 /nfs/dbraw/zinc/10/66/29/1138106629.db2.gz RELZBDVBBUUZCR-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072630924 1138106630 /nfs/dbraw/zinc/10/66/30/1138106630.db2.gz RELZBDVBBUUZCR-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccco1 ZINC000080239453 1138161855 /nfs/dbraw/zinc/16/18/55/1138161855.db2.gz WVQZIHLCLZPSPZ-ZDUSSCGKSA-N 1 2 328.181 3.659 20 0 EHADLO C[C@H](NC(=O)N1CCn2cccc2[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876315 1138124955 /nfs/dbraw/zinc/12/49/55/1138124955.db2.gz XXPHGKTXTFNTOH-HOTGVXAUSA-N 1 2 349.438 3.521 20 0 EHADLO CSc1ccc(OCC[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000075624863 1138128758 /nfs/dbraw/zinc/12/87/58/1138128758.db2.gz DMWPZEBCQMVBGI-UHFFFAOYSA-N 1 2 327.400 3.511 20 0 EHADLO CSc1ccc(OCC[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000075624863 1138128760 /nfs/dbraw/zinc/12/87/60/1138128760.db2.gz DMWPZEBCQMVBGI-UHFFFAOYSA-N 1 2 327.400 3.511 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000886805632 1138145155 /nfs/dbraw/zinc/14/51/55/1138145155.db2.gz HWBRLHUIMYGCIA-HNNXBMFYSA-N 1 2 342.386 3.557 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000886805632 1138145156 /nfs/dbraw/zinc/14/51/56/1138145156.db2.gz HWBRLHUIMYGCIA-HNNXBMFYSA-N 1 2 342.386 3.557 20 0 EHADLO CC1(C)CCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000078576932 1138150616 /nfs/dbraw/zinc/15/06/16/1138150616.db2.gz SINURCIOMXSEDB-KRWDZBQOSA-N 1 2 342.443 3.662 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080908916 1138164794 /nfs/dbraw/zinc/16/47/94/1138164794.db2.gz ZEMILLRYBVVKBR-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080908916 1138164796 /nfs/dbraw/zinc/16/47/96/1138164796.db2.gz ZEMILLRYBVVKBR-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCSCC1 ZINC000089983431 1138208078 /nfs/dbraw/zinc/20/80/78/1138208078.db2.gz XFZWFWSWPKOPNC-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCSCC1 ZINC000089983431 1138208079 /nfs/dbraw/zinc/20/80/79/1138208079.db2.gz XFZWFWSWPKOPNC-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(C(F)(F)F)c1 ZINC000090969250 1138214627 /nfs/dbraw/zinc/21/46/27/1138214627.db2.gz HAOUODOIGXFDBE-AWEZNQCLSA-N 1 2 326.366 3.711 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000122808512 1138262423 /nfs/dbraw/zinc/26/24/23/1138262423.db2.gz VZPSMTBWFPUNLY-KSSFIOAISA-N 1 2 345.512 3.994 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)oc2cc1C ZINC000122965048 1138264734 /nfs/dbraw/zinc/26/47/34/1138264734.db2.gz CROYWXBHYMDFTB-DYVFJYSZSA-N 1 2 337.423 3.969 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)csc2C1 ZINC000123110298 1138266437 /nfs/dbraw/zinc/26/64/37/1138266437.db2.gz SPSLCXAYJJMRKU-JKIFEVAISA-N 1 2 343.496 3.793 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000123396231 1138270006 /nfs/dbraw/zinc/27/00/06/1138270006.db2.gz VPUNJOCSTCRCME-CZUORRHYSA-N 1 2 325.437 3.821 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(C)c3)CCCC2)no1 ZINC000124068148 1138278942 /nfs/dbraw/zinc/27/89/42/1138278942.db2.gz IVNDJJOQZVJYSA-UHFFFAOYSA-N 1 2 342.487 3.779 20 0 EHADLO O=C(NCC1(Cc2ccccc2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124121253 1138279631 /nfs/dbraw/zinc/27/96/31/1138279631.db2.gz PMPDZHMGOPEQNH-UHFFFAOYSA-N 1 2 345.446 3.684 20 0 EHADLO Cc1ccc(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC001202753242 1138284227 /nfs/dbraw/zinc/28/42/27/1138284227.db2.gz XYJGMKQBLBLSDK-UHFFFAOYSA-N 1 2 338.455 3.737 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125415088 1138308183 /nfs/dbraw/zinc/30/81/83/1138308183.db2.gz WWQXPGZWAWUAFL-YJBOKZPZSA-N 1 2 325.456 3.904 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1=CCCCC1 ZINC000126091737 1138324116 /nfs/dbraw/zinc/32/41/16/1138324116.db2.gz MIRISTPDMMXCME-UHFFFAOYSA-N 1 2 328.456 3.656 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263718641 1138349025 /nfs/dbraw/zinc/34/90/25/1138349025.db2.gz AQFHGJNSBPAMEF-UHFFFAOYSA-N 1 2 346.862 3.585 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263764751 1138359974 /nfs/dbraw/zinc/35/99/74/1138359974.db2.gz IQAXBROUJHXNCE-ZDUSSCGKSA-N 1 2 346.862 3.775 20 0 EHADLO COC(=O)c1coc(C[N@H+](C)Cc2cc(Br)cs2)c1 ZINC000263778788 1138363772 /nfs/dbraw/zinc/36/37/72/1138363772.db2.gz FIZRVVDZTKQWKI-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1coc(C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000263778788 1138363774 /nfs/dbraw/zinc/36/37/74/1138363774.db2.gz FIZRVVDZTKQWKI-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000127613835 1138364520 /nfs/dbraw/zinc/36/45/20/1138364520.db2.gz RAPUMSCIXZMSQO-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127754794 1138369694 /nfs/dbraw/zinc/36/96/94/1138369694.db2.gz IVRHBQOPTQFEPA-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127754794 1138369699 /nfs/dbraw/zinc/36/96/99/1138369699.db2.gz IVRHBQOPTQFEPA-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C)C[C@H](C)O1 ZINC000263810823 1138372097 /nfs/dbraw/zinc/37/20/97/1138372097.db2.gz WSHCLJMSCFESSZ-IYBDPMFKSA-N 1 2 347.503 3.806 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C)C[C@H](C)O1 ZINC000263810823 1138372102 /nfs/dbraw/zinc/37/21/02/1138372102.db2.gz WSHCLJMSCFESSZ-IYBDPMFKSA-N 1 2 347.503 3.806 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263863920 1138383144 /nfs/dbraw/zinc/38/31/44/1138383144.db2.gz VTJRNROZANLVFZ-UHFFFAOYSA-N 1 2 340.452 3.714 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000263927779 1138393672 /nfs/dbraw/zinc/39/36/72/1138393672.db2.gz ATPDAPGRXFAXFP-JSGCOSHPSA-N 1 2 332.835 3.713 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000264137924 1138426575 /nfs/dbraw/zinc/42/65/75/1138426575.db2.gz XSYPOBJBPUJQGG-UHFFFAOYSA-N 1 2 341.377 3.655 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000264137924 1138426577 /nfs/dbraw/zinc/42/65/77/1138426577.db2.gz XSYPOBJBPUJQGG-UHFFFAOYSA-N 1 2 341.377 3.655 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000130113813 1138436530 /nfs/dbraw/zinc/43/65/30/1138436530.db2.gz AYIGVLITLVAAOM-KRWDZBQOSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000130113813 1138436533 /nfs/dbraw/zinc/43/65/33/1138436533.db2.gz AYIGVLITLVAAOM-KRWDZBQOSA-N 1 2 338.411 3.723 20 0 EHADLO C[C@@H](c1nnc(SCCF)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000336969916 1138437672 /nfs/dbraw/zinc/43/76/72/1138437672.db2.gz JSJVEVNJBOEQHW-AWEZNQCLSA-N 1 2 334.464 3.876 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000264216363 1138445481 /nfs/dbraw/zinc/44/54/81/1138445481.db2.gz XCJJPKBDGAAIFI-CQSZACIVSA-N 1 2 347.846 3.511 20 0 EHADLO CCCN(CC1CC1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264255517 1138455545 /nfs/dbraw/zinc/45/55/45/1138455545.db2.gz QGIVLUDGFBLELW-INIZCTEOSA-N 1 2 345.487 3.734 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337064975 1138459601 /nfs/dbraw/zinc/45/96/01/1138459601.db2.gz ZNKOGLKEEBBOGJ-JYJNAYRXSA-N 1 2 332.492 3.543 20 0 EHADLO Fc1cccc([C@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)c1 ZINC000264303370 1138468440 /nfs/dbraw/zinc/46/84/40/1138468440.db2.gz WIKVQYCXLPVOJW-ZDUSSCGKSA-N 1 2 329.400 3.927 20 0 EHADLO Fc1cccc([C@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)c1 ZINC000264303370 1138468442 /nfs/dbraw/zinc/46/84/42/1138468442.db2.gz WIKVQYCXLPVOJW-ZDUSSCGKSA-N 1 2 329.400 3.927 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000337157515 1138481892 /nfs/dbraw/zinc/48/18/92/1138481892.db2.gz QKVDEFPGRJNNGX-HZPDHXFCSA-N 1 2 331.504 3.998 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131161551 1138499493 /nfs/dbraw/zinc/49/94/93/1138499493.db2.gz LNAYUGAFTUTVJB-QGZVFWFLSA-N 1 2 342.487 3.907 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(F)(F)F)cn1 ZINC000337255160 1138510329 /nfs/dbraw/zinc/51/03/29/1138510329.db2.gz QUKYSQIQWPPLMM-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000131768417 1138540323 /nfs/dbraw/zinc/54/03/23/1138540323.db2.gz MYZKLTZYYAKUEH-BBWFWOEESA-N 1 2 345.487 3.560 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000131768417 1138540325 /nfs/dbraw/zinc/54/03/25/1138540325.db2.gz MYZKLTZYYAKUEH-BBWFWOEESA-N 1 2 345.487 3.560 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000337437221 1138569302 /nfs/dbraw/zinc/56/93/02/1138569302.db2.gz IKOIFFVRZCIQCF-KBPBESRZSA-N 1 2 338.521 3.883 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000337437221 1138569304 /nfs/dbraw/zinc/56/93/04/1138569304.db2.gz IKOIFFVRZCIQCF-KBPBESRZSA-N 1 2 338.521 3.883 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264686127 1138604480 /nfs/dbraw/zinc/60/44/80/1138604480.db2.gz BNABTXJKIGHNHA-HNNXBMFYSA-N 1 2 342.443 3.918 20 0 EHADLO CCOCc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000264690701 1138606263 /nfs/dbraw/zinc/60/62/63/1138606263.db2.gz ZFVUOVRHYXPPAM-UHFFFAOYSA-N 1 2 338.411 3.501 20 0 EHADLO O=C(c1cccc2ccsc21)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337606478 1138619363 /nfs/dbraw/zinc/61/93/63/1138619363.db2.gz VJQITKBEUCBYSQ-KRWDZBQOSA-N 1 2 340.423 3.827 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cccc3[nH]ccc32)c1 ZINC000337643854 1138631281 /nfs/dbraw/zinc/63/12/81/1138631281.db2.gz GGQPQJSGJZWPMS-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO Fc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc(F)c1F ZINC000135130761 1138728125 /nfs/dbraw/zinc/72/81/25/1138728125.db2.gz OJJYYJUZPUDYSK-CQSZACIVSA-N 1 2 348.328 3.819 20 0 EHADLO Fc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc(F)c1F ZINC000135130761 1138728126 /nfs/dbraw/zinc/72/81/26/1138728126.db2.gz OJJYYJUZPUDYSK-CQSZACIVSA-N 1 2 348.328 3.819 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@]3(C)CCOC4(CCC4)C3)ccc2[nH+]1 ZINC000887726519 1138743104 /nfs/dbraw/zinc/74/31/04/1138743104.db2.gz NQUWOIRWZLITNV-GOSISDBHSA-N 1 2 342.443 3.504 20 0 EHADLO O=C(CCc1nccs1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338110476 1138754157 /nfs/dbraw/zinc/75/41/57/1138754157.db2.gz CGPAEQAZSQJDPN-UHFFFAOYSA-N 1 2 332.816 3.554 20 0 EHADLO CSc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000338227281 1138793813 /nfs/dbraw/zinc/79/38/13/1138793813.db2.gz PQOHYFRKNWQQPK-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000338238744 1138797777 /nfs/dbraw/zinc/79/77/77/1138797777.db2.gz MNGKYSXHJYPOFI-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000338238744 1138797781 /nfs/dbraw/zinc/79/77/81/1138797781.db2.gz MNGKYSXHJYPOFI-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1F ZINC000338262775 1138805242 /nfs/dbraw/zinc/80/52/42/1138805242.db2.gz STUFZZOQFXNMKT-INIZCTEOSA-N 1 2 332.806 3.574 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cscc2C(F)F)[C@H](c2ccccc2)C1 ZINC000887767485 1138809789 /nfs/dbraw/zinc/80/97/89/1138809789.db2.gz MKGIETXPAHPWCJ-HNNXBMFYSA-N 1 2 336.407 3.815 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cscc2C(F)F)[C@H](c2ccccc2)C1 ZINC000887767485 1138809795 /nfs/dbraw/zinc/80/97/95/1138809795.db2.gz MKGIETXPAHPWCJ-HNNXBMFYSA-N 1 2 336.407 3.815 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000338318284 1138831539 /nfs/dbraw/zinc/83/15/39/1138831539.db2.gz WDTGDUAFLOXZBB-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338407064 1138897118 /nfs/dbraw/zinc/89/71/18/1138897118.db2.gz CPKDGNMPBKJRSN-WBVHZDCISA-N 1 2 326.444 3.640 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)o1 ZINC000338410951 1138900150 /nfs/dbraw/zinc/90/01/50/1138900150.db2.gz MXKDEGCAWGPHHC-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)o1 ZINC000338410951 1138900156 /nfs/dbraw/zinc/90/01/56/1138900156.db2.gz MXKDEGCAWGPHHC-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000338470412 1138930658 /nfs/dbraw/zinc/93/06/58/1138930658.db2.gz SXHALMXBIGESJG-LSDHHAIUSA-N 1 2 344.434 3.637 20 0 EHADLO CC[N@H+](Cc1ccccc1F)Cc1cc(C(=O)OC)ccc1OC ZINC001137248552 1139020893 /nfs/dbraw/zinc/02/08/93/1139020893.db2.gz DBAMEDJKYHQKTR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO CC[N@@H+](Cc1ccccc1F)Cc1cc(C(=O)OC)ccc1OC ZINC001137248552 1139020900 /nfs/dbraw/zinc/02/09/00/1139020900.db2.gz DBAMEDJKYHQKTR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000151673290 1139051666 /nfs/dbraw/zinc/05/16/66/1139051666.db2.gz LHHLRLRHPMBAKX-ZQIUZPCESA-N 1 2 346.862 3.890 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccn2)nnn1-c1ccc(F)cc1 ZINC000152375897 1139087233 /nfs/dbraw/zinc/08/72/33/1139087233.db2.gz RYQSWTSOFNJHAV-STQMWFEESA-N 1 2 325.391 3.522 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153422507 1139135735 /nfs/dbraw/zinc/13/57/35/1139135735.db2.gz TWUOSANUCVJKCF-LLVKDONJSA-N 1 2 331.416 3.611 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889369600 1139196443 /nfs/dbraw/zinc/19/64/43/1139196443.db2.gz IVAOOIJWLBIELG-BQFCYCMXSA-N 1 2 330.476 3.539 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H]1C1CCC1 ZINC000889558506 1139233467 /nfs/dbraw/zinc/23/34/67/1139233467.db2.gz OSFPSKTZUKASRY-KZNAEPCWSA-N 1 2 342.487 3.779 20 0 EHADLO CC[C@@](C)(NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890243376 1139328499 /nfs/dbraw/zinc/32/84/99/1139328499.db2.gz KFKLCSWTSSOJDW-PKOBYXMFSA-N 1 2 326.444 3.502 20 0 EHADLO C[C@H]1CC2(CCC2)CN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251616 1139330702 /nfs/dbraw/zinc/33/07/02/1139330702.db2.gz YRKJVBQEXGTWLI-WMZOPIPTSA-N 1 2 338.455 3.599 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N(CC1CC1)C1CCC1 ZINC000890251272 1139331132 /nfs/dbraw/zinc/33/11/32/1139331132.db2.gz UIYLJOFYEUOVHV-IBGZPJMESA-N 1 2 338.455 3.599 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890258413 1139332869 /nfs/dbraw/zinc/33/28/69/1139332869.db2.gz GCBDBVZKAQCHOU-WMZOPIPTSA-N 1 2 328.460 3.702 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001202767370 1139431207 /nfs/dbraw/zinc/43/12/07/1139431207.db2.gz QGTUVVDCGDGYLE-INIZCTEOSA-N 1 2 337.414 3.641 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)c1 ZINC000174654989 1139433681 /nfs/dbraw/zinc/43/36/81/1139433681.db2.gz HHXWFXOCYVVEGT-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000175037086 1139459015 /nfs/dbraw/zinc/45/90/15/1139459015.db2.gz KYJCQRAHUYVFRH-HNNXBMFYSA-N 1 2 329.444 3.622 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](C)CCCOc2ccc(F)cc2)cs1 ZINC000175078964 1139462813 /nfs/dbraw/zinc/46/28/13/1139462813.db2.gz OHUXAZCKGBWXER-ZDUSSCGKSA-N 1 2 338.448 3.891 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCOc2ccc(F)cc2)cs1 ZINC000175078964 1139462815 /nfs/dbraw/zinc/46/28/15/1139462815.db2.gz OHUXAZCKGBWXER-ZDUSSCGKSA-N 1 2 338.448 3.891 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175259509 1139476701 /nfs/dbraw/zinc/47/67/01/1139476701.db2.gz UPDIMIFJNRTJRY-VXGBXAGGSA-N 1 2 335.498 3.851 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)s1 ZINC000175258251 1139476806 /nfs/dbraw/zinc/47/68/06/1139476806.db2.gz BMFSNBXCSZSFMS-BXUZGUMPSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000175617670 1139503502 /nfs/dbraw/zinc/50/35/02/1139503502.db2.gz FCRFHDQGPHHWCK-HOTGVXAUSA-N 1 2 342.439 3.758 20 0 EHADLO COc1ccccc1CN(Cc1cccs1)Cc1c[nH+]cn1C ZINC000177231306 1139606064 /nfs/dbraw/zinc/60/60/64/1139606064.db2.gz UYDFFAWGRSEBJO-UHFFFAOYSA-N 1 2 327.453 3.693 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1C ZINC000177624297 1139629932 /nfs/dbraw/zinc/62/99/32/1139629932.db2.gz FGFUGQHIDASGRE-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1C ZINC000177624297 1139629934 /nfs/dbraw/zinc/62/99/34/1139629934.db2.gz FGFUGQHIDASGRE-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccsc3)CC2)c1 ZINC000177693304 1139635093 /nfs/dbraw/zinc/63/50/93/1139635093.db2.gz QNJXNFXKRKDPNM-CQSZACIVSA-N 1 2 345.468 3.667 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccnc1Cl ZINC000178316281 1139687032 /nfs/dbraw/zinc/68/70/32/1139687032.db2.gz JOCKZMZJDXZGKX-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)cc1F ZINC000179490621 1139760906 /nfs/dbraw/zinc/76/09/06/1139760906.db2.gz AFHDHBWCJJLTJJ-NRFANRHFSA-N 1 2 325.836 3.849 20 0 EHADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)cc1F ZINC000179490621 1139760912 /nfs/dbraw/zinc/76/09/12/1139760912.db2.gz AFHDHBWCJJLTJJ-NRFANRHFSA-N 1 2 325.836 3.849 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495976 1139761072 /nfs/dbraw/zinc/76/10/72/1139761072.db2.gz JZXMKFXIYSKPPG-FZMZJTMJSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495976 1139761077 /nfs/dbraw/zinc/76/10/77/1139761077.db2.gz JZXMKFXIYSKPPG-FZMZJTMJSA-N 1 2 332.398 3.901 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1ccc(F)cc1F ZINC000179638868 1139771509 /nfs/dbraw/zinc/77/15/09/1139771509.db2.gz XTHZPJPXRACRHX-OAHLLOKOSA-N 1 2 349.406 3.584 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1C ZINC000179844095 1139787965 /nfs/dbraw/zinc/78/79/65/1139787965.db2.gz RPLVHSSCHVGYTI-CVEARBPZSA-N 1 2 342.443 3.614 20 0 EHADLO CC1(C)[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000179902225 1139791771 /nfs/dbraw/zinc/79/17/71/1139791771.db2.gz UMXASUOSSNHTTR-KURKYZTESA-N 1 2 332.513 3.855 20 0 EHADLO CCn1c(SCCCn2cc[nH+]c2)nnc1-c1cccc(C)c1 ZINC000180431273 1139834561 /nfs/dbraw/zinc/83/45/61/1139834561.db2.gz ILAAITAPGKQUSF-UHFFFAOYSA-N 1 2 327.457 3.652 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000181001651 1139878915 /nfs/dbraw/zinc/87/89/15/1139878915.db2.gz FJEWKGCCIUPFBZ-PXAZEXFGSA-N 1 2 331.847 3.877 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nnc4n3CCCCC4)oc21 ZINC000181409676 1139904875 /nfs/dbraw/zinc/90/48/75/1139904875.db2.gz QISWCTBCFLOZHI-CYBMUJFWSA-N 1 2 340.427 3.610 20 0 EHADLO CSCCCCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182318093 1139964587 /nfs/dbraw/zinc/96/45/87/1139964587.db2.gz MVFIWNLQKUNESB-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000183008751 1140006970 /nfs/dbraw/zinc/00/69/70/1140006970.db2.gz LLIMNEWQFRMLBJ-VHSXEESVSA-N 1 2 329.322 3.647 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)o1 ZINC000183709874 1140054293 /nfs/dbraw/zinc/05/42/93/1140054293.db2.gz YHFNVABCFAYXSR-LLVKDONJSA-N 1 2 328.441 3.915 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000184457534 1140104029 /nfs/dbraw/zinc/10/40/29/1140104029.db2.gz NVWVAWAADWZFTO-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000184457534 1140104034 /nfs/dbraw/zinc/10/40/34/1140104034.db2.gz NVWVAWAADWZFTO-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(SC)c2)cs1 ZINC000184672240 1140114111 /nfs/dbraw/zinc/11/41/11/1140114111.db2.gz APFMIXKLIYNVHE-NSHDSACASA-N 1 2 335.498 3.717 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)cs1 ZINC000184678575 1140114454 /nfs/dbraw/zinc/11/44/54/1140114454.db2.gz GXWXPOVRAZSERK-VIFPVBQESA-N 1 2 347.469 3.721 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cs1 ZINC000184722276 1140117540 /nfs/dbraw/zinc/11/75/40/1140117540.db2.gz OGKWTWMFDFUBMY-ZFWWWQNUSA-N 1 2 329.469 3.723 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(CC)Cc2ccccc2)cs1 ZINC000184733063 1140118307 /nfs/dbraw/zinc/11/83/07/1140118307.db2.gz ZYWCEMMGNBXOMM-HUUCEWRRSA-N 1 2 345.512 3.793 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)o1 ZINC000184842768 1140122272 /nfs/dbraw/zinc/12/22/72/1140122272.db2.gz NPCPKLWOJFWMAB-KRWDZBQOSA-N 1 2 341.407 3.734 20 0 EHADLO C[C@H]1CCN(C(=O)c2scnc2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000185125225 1140136893 /nfs/dbraw/zinc/13/68/93/1140136893.db2.gz DDFCBADFDLHDEG-ZFWWWQNUSA-N 1 2 344.484 3.721 20 0 EHADLO CCCCn1c(S[C@H](C)c2cnccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000185138028 1140137605 /nfs/dbraw/zinc/13/76/05/1140137605.db2.gz KNPYQEYTLBVCCU-UKRRQHHQSA-N 1 2 348.520 3.734 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([C@@H]3C[C@H]3C)o1)n2C ZINC000185839211 1140173019 /nfs/dbraw/zinc/17/30/19/1140173019.db2.gz RVYZLXOKWRZELZ-IUODEOHRSA-N 1 2 325.412 3.588 20 0 EHADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000185892364 1140176123 /nfs/dbraw/zinc/17/61/23/1140176123.db2.gz COADDDJOGFSMQL-CWLKWCNXSA-N 1 2 330.472 3.526 20 0 EHADLO O=C(C1CC[NH+](CCc2c(F)cccc2Cl)CC1)C(F)(F)F ZINC000186014211 1140182684 /nfs/dbraw/zinc/18/26/84/1140182684.db2.gz HABVBGRGDPCUJE-UHFFFAOYSA-N 1 2 337.744 3.865 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CC1(CSc2ccccc2)CC1 ZINC000186164654 1140190499 /nfs/dbraw/zinc/19/04/99/1140190499.db2.gz OOEJDUFVQGDZHA-UHFFFAOYSA-N 1 2 343.496 3.694 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@H]3CCCc4ccccc43)n2)cc1 ZINC000186428802 1140203552 /nfs/dbraw/zinc/20/35/52/1140203552.db2.gz NWDJILZUEDAPSZ-SFHVURJKSA-N 1 2 334.423 3.551 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Br)ccc1F ZINC000186511742 1140207836 /nfs/dbraw/zinc/20/78/36/1140207836.db2.gz HDYIXPPZCFLTGQ-IINYFYTJSA-N 1 2 342.208 3.956 20 0 EHADLO c1csc([C@@H]2CSCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000186649277 1140215510 /nfs/dbraw/zinc/21/55/10/1140215510.db2.gz FCVNIHKPKBHQMH-HNNXBMFYSA-N 1 2 327.478 3.981 20 0 EHADLO c1csc([C@@H]2CSCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000186649277 1140215514 /nfs/dbraw/zinc/21/55/14/1140215514.db2.gz FCVNIHKPKBHQMH-HNNXBMFYSA-N 1 2 327.478 3.981 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000186956846 1140229811 /nfs/dbraw/zinc/22/98/11/1140229811.db2.gz ZCKKZVBRQVQRTQ-UHFFFAOYSA-N 1 2 334.370 3.864 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(-c2ccncc2)ccc1OC)c1ccco1 ZINC000187277505 1140247709 /nfs/dbraw/zinc/24/77/09/1140247709.db2.gz BHZISZFGTKMDEN-GOSISDBHSA-N 1 2 338.407 3.828 20 0 EHADLO C[C@H]1C[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000189132726 1140322781 /nfs/dbraw/zinc/32/27/81/1140322781.db2.gz DKKMOCYYZDPVJQ-BJOOFOGMSA-N 1 2 331.847 3.520 20 0 EHADLO CCCn1c(C[NH2+]Cc2cc(F)ccc2OC)nc2ccccc21 ZINC000189208071 1140327671 /nfs/dbraw/zinc/32/76/71/1140327671.db2.gz SGKDUDSMJNMMPC-UHFFFAOYSA-N 1 2 327.403 3.884 20 0 EHADLO Cn1ncc(Cl)c1CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000189325817 1140335307 /nfs/dbraw/zinc/33/53/07/1140335307.db2.gz BOZFNAFVPFNMII-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2sccc2[nH]1 ZINC000189863821 1140367922 /nfs/dbraw/zinc/36/79/22/1140367922.db2.gz FAICGIMVIBTJSF-UHFFFAOYSA-N 1 2 346.481 3.924 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc(OCC3CC3)cc2)c1 ZINC000191548233 1140471241 /nfs/dbraw/zinc/47/12/41/1140471241.db2.gz GNRXNPBHSNUUJT-UHFFFAOYSA-N 1 2 344.480 3.708 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000192064999 1140500784 /nfs/dbraw/zinc/50/07/84/1140500784.db2.gz GIELVDSQFDIKJA-VCTAVGKDSA-N 1 2 333.819 3.781 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000192100456 1140503210 /nfs/dbraw/zinc/50/32/10/1140503210.db2.gz APOMMDPHQYLVOE-ZFWWWQNUSA-N 1 2 339.798 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC000192247827 1140514459 /nfs/dbraw/zinc/51/44/59/1140514459.db2.gz OQKQBCQTQNEOAT-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(CC)s1 ZINC000192316103 1140522871 /nfs/dbraw/zinc/52/28/71/1140522871.db2.gz VOZHTUROVUVQDF-UHFFFAOYSA-N 1 2 348.516 3.691 20 0 EHADLO COc1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)ccc1C ZINC000194094927 1140596981 /nfs/dbraw/zinc/59/69/81/1140596981.db2.gz NLECSZVHGLJOIF-UHFFFAOYSA-N 1 2 326.440 3.577 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)c1 ZINC000266169300 1140650414 /nfs/dbraw/zinc/65/04/14/1140650414.db2.gz QIUGVZSEEOXHRE-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000266478204 1140692414 /nfs/dbraw/zinc/69/24/14/1140692414.db2.gz HRPSKQCVFZLJLM-CVEARBPZSA-N 1 2 328.460 3.555 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266495711 1140695085 /nfs/dbraw/zinc/69/50/85/1140695085.db2.gz RFMFLLIUADDJIG-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266530377 1140699058 /nfs/dbraw/zinc/69/90/58/1140699058.db2.gz MOMYDMJNSHIHOK-HNNXBMFYSA-N 1 2 331.485 3.535 20 0 EHADLO CCOc1ccccc1OCC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000266620460 1140708930 /nfs/dbraw/zinc/70/89/30/1140708930.db2.gz FSSFRHAIVKPYTH-UHFFFAOYSA-N 1 2 345.443 3.605 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266729896 1140719003 /nfs/dbraw/zinc/71/90/03/1140719003.db2.gz CRTCFZVOCBCFCC-MRXNPFEDSA-N 1 2 340.471 3.547 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)cs1 ZINC000267592752 1140808569 /nfs/dbraw/zinc/80/85/69/1140808569.db2.gz AXAMOKVEDDKTFC-ZDUSSCGKSA-N 1 2 342.468 3.839 20 0 EHADLO C/C=C(\C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000267603950 1140808999 /nfs/dbraw/zinc/80/89/99/1140808999.db2.gz QQPPQXTYGZYOAG-HAVNEIBRSA-N 1 2 341.455 3.667 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OC(F)F)cc2)cs1 ZINC000267668141 1140817742 /nfs/dbraw/zinc/81/77/42/1140817742.db2.gz YKDPYVRSGSNEPQ-SNVBAGLBSA-N 1 2 328.384 3.742 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2csc(Br)c2)cs1 ZINC000267657807 1140817816 /nfs/dbraw/zinc/81/78/16/1140817816.db2.gz WCYVTIKLQONQPZ-QMMMGPOBSA-N 1 2 347.303 3.964 20 0 EHADLO CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(Cl)cc1 ZINC000267761263 1140829795 /nfs/dbraw/zinc/82/97/95/1140829795.db2.gz JDDGGPYHTGTTRS-UHFFFAOYSA-N 1 2 333.848 3.644 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1OC(C)C ZINC000268233993 1140906986 /nfs/dbraw/zinc/90/69/86/1140906986.db2.gz VFINRYNFEMGFIY-UHFFFAOYSA-N 1 2 349.500 3.921 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268326803 1140920642 /nfs/dbraw/zinc/92/06/42/1140920642.db2.gz AWRPLVUFERCQFR-CYBMUJFWSA-N 1 2 346.406 3.749 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000268375715 1140929775 /nfs/dbraw/zinc/92/97/75/1140929775.db2.gz XCSVYGMVTKOUAT-ZWKOTPCHSA-N 1 2 339.439 3.783 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](CCO)Cc1cccnc1 ZINC000268648010 1140967319 /nfs/dbraw/zinc/96/73/19/1140967319.db2.gz FXRQVENYASKDIC-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](CCO)Cc1cccnc1 ZINC000268648010 1140967321 /nfs/dbraw/zinc/96/73/21/1140967321.db2.gz FXRQVENYASKDIC-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO Cc1csc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n1 ZINC000268727717 1140977232 /nfs/dbraw/zinc/97/72/32/1140977232.db2.gz BEUOTZBPQIKNMU-GFCCVEGCSA-N 1 2 339.258 3.827 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1nnc2n1CCCCC2 ZINC000268883786 1141018311 /nfs/dbraw/zinc/01/83/11/1141018311.db2.gz XFYRXEMZLDWKQO-CXAGYDPISA-N 1 2 346.450 3.954 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269734154 1141140707 /nfs/dbraw/zinc/14/07/07/1141140707.db2.gz HHYTVVMJZVDKQV-UHFFFAOYSA-N 1 2 342.830 3.873 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269753785 1141141494 /nfs/dbraw/zinc/14/14/94/1141141494.db2.gz SGTBZRQGJIHIAG-GFCCVEGCSA-N 1 2 342.830 3.873 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)c(OC)c1 ZINC000270578349 1141241419 /nfs/dbraw/zinc/24/14/19/1141241419.db2.gz IBUIOLWOGPJBOG-INIZCTEOSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)c(OC)c1 ZINC000270578349 1141241423 /nfs/dbraw/zinc/24/14/23/1141241423.db2.gz IBUIOLWOGPJBOG-INIZCTEOSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)(C)[C@H]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001274535465 1141268774 /nfs/dbraw/zinc/26/87/74/1141268774.db2.gz VVLKOAYSKYAGRV-QAQDUYKDSA-N 1 2 343.515 3.511 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000271205310 1141324765 /nfs/dbraw/zinc/32/47/65/1141324765.db2.gz ZKKNXIHLGCKBCP-IBGZPJMESA-N 1 2 348.450 3.828 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000271205310 1141324771 /nfs/dbraw/zinc/32/47/71/1141324771.db2.gz ZKKNXIHLGCKBCP-IBGZPJMESA-N 1 2 348.450 3.828 20 0 EHADLO O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000271298329 1141342123 /nfs/dbraw/zinc/34/21/23/1141342123.db2.gz UEKWYQQAPKEIGH-OALUTQOASA-N 1 2 337.423 3.629 20 0 EHADLO CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271322837 1141345886 /nfs/dbraw/zinc/34/58/86/1141345886.db2.gz KFGQZJHYZVRBGP-INIZCTEOSA-N 1 2 334.423 3.708 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)[nH]1 ZINC000271343402 1141348407 /nfs/dbraw/zinc/34/84/07/1141348407.db2.gz OTCRCWYTDPGXEG-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)[nH]1 ZINC000271343402 1141348413 /nfs/dbraw/zinc/34/84/13/1141348413.db2.gz OTCRCWYTDPGXEG-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC000271343402 1141348421 /nfs/dbraw/zinc/34/84/21/1141348421.db2.gz OTCRCWYTDPGXEG-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC000271343402 1141348425 /nfs/dbraw/zinc/34/84/25/1141348425.db2.gz OTCRCWYTDPGXEG-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n[nH]1 ZINC000271343402 1141348432 /nfs/dbraw/zinc/34/84/32/1141348432.db2.gz OTCRCWYTDPGXEG-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000271471702 1141375899 /nfs/dbraw/zinc/37/58/99/1141375899.db2.gz GCHKHOIDBDTBQA-TXPKVOOTSA-N 1 2 345.487 3.875 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cn[nH]c3)cs2)cc1 ZINC000274166567 1141481708 /nfs/dbraw/zinc/48/17/08/1141481708.db2.gz ZWFNUKYLXAOSLI-LBPRGKRZSA-N 1 2 328.441 3.783 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000348810992 1141584369 /nfs/dbraw/zinc/58/43/69/1141584369.db2.gz APRPHYYISSJKNZ-NSHDSACASA-N 1 2 328.225 3.515 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000348810992 1141584371 /nfs/dbraw/zinc/58/43/71/1141584371.db2.gz APRPHYYISSJKNZ-NSHDSACASA-N 1 2 328.225 3.515 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810976 1141584657 /nfs/dbraw/zinc/58/46/57/1141584657.db2.gz TYGJWWOPIRENBH-IIDMSEBBSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810976 1141584660 /nfs/dbraw/zinc/58/46/60/1141584660.db2.gz TYGJWWOPIRENBH-IIDMSEBBSA-N 1 2 330.472 3.626 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccc(C)o2)s1)Cc1ccccn1 ZINC000349035127 1141625318 /nfs/dbraw/zinc/62/53/18/1141625318.db2.gz GPSULKSUJTZAEC-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)Cc1ccccn1 ZINC000349035127 1141625320 /nfs/dbraw/zinc/62/53/20/1141625320.db2.gz GPSULKSUJTZAEC-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2[nH+]cc3ccccn32)cc1 ZINC000026371699 201060027 /nfs/dbraw/zinc/06/00/27/201060027.db2.gz NMRXRZNQFLYLHB-LBPRGKRZSA-N 1 2 339.420 3.656 20 0 EHADLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000359865316 201114252 /nfs/dbraw/zinc/11/42/52/201114252.db2.gz DJBJKLUQAGLYOJ-GOSISDBHSA-N 1 2 340.471 3.976 20 0 EHADLO CC(C)CCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000617097347 480093423 /nfs/dbraw/zinc/09/34/23/480093423.db2.gz QRHQZIFVWHMGHE-UHFFFAOYSA-N 1 2 341.440 3.565 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cscn2)cc1Br ZINC000040421182 525325954 /nfs/dbraw/zinc/32/59/54/525325954.db2.gz ZZIBLIMBRUDNOO-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1OC ZINC000215018955 536611534 /nfs/dbraw/zinc/61/15/34/536611534.db2.gz SSBYKMQEPDUZMU-WMZJFQQLSA-N 1 2 349.390 3.746 20 0 EHADLO Cn1cc[nH+]c1CNc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000124052444 564051301 /nfs/dbraw/zinc/05/13/01/564051301.db2.gz KSUQZXNCCMPILT-UHFFFAOYSA-N 1 2 330.775 3.531 20 0 EHADLO Cc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2nccc(C)c2c1 ZINC000239366977 564051605 /nfs/dbraw/zinc/05/16/05/564051605.db2.gz AHCBITMXJGSCBU-UHFFFAOYSA-N 1 2 348.450 3.657 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cc(F)ccc1F ZINC000824531026 609323972 /nfs/dbraw/zinc/32/39/72/609323972.db2.gz OBKKIEDNUGXFOL-VHSXEESVSA-N 1 2 347.344 3.696 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000182440109 1032059039 /nfs/dbraw/zinc/05/90/39/1032059039.db2.gz SCEYAVXRGPJYHI-UONOGXRCSA-N 1 2 338.411 3.690 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000182440131 1032060112 /nfs/dbraw/zinc/06/01/12/1032060112.db2.gz SCEYAVXRGPJYHI-ZIAGYGMSSA-N 1 2 338.411 3.690 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1Br ZINC000398468202 1023959085 /nfs/dbraw/zinc/95/90/85/1023959085.db2.gz MCUHWLFGVDBGFS-DTWKUNHWSA-N 1 2 342.262 3.721 20 0 EHADLO Cc1cn2cc(NC(=O)CCSc3ccccc3F)ccc2[nH+]1 ZINC000339272502 1014138544 /nfs/dbraw/zinc/13/85/44/1014138544.db2.gz HNNIICARFGBSST-UHFFFAOYSA-N 1 2 329.400 3.903 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000654706883 1014165635 /nfs/dbraw/zinc/16/56/35/1014165635.db2.gz PFNVAXSGBNKZDY-GFCCVEGCSA-N 1 2 340.418 3.513 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCC(F)(F)CC1 ZINC000654706883 1014165640 /nfs/dbraw/zinc/16/56/40/1014165640.db2.gz PFNVAXSGBNKZDY-GFCCVEGCSA-N 1 2 340.418 3.513 20 0 EHADLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccc(F)c(F)c2n1 ZINC000683077767 1014183060 /nfs/dbraw/zinc/18/30/60/1014183060.db2.gz HDUMUIARNHVXIP-CYBMUJFWSA-N 1 2 328.366 3.859 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccnc(C)n2)c2ccccc2OC)cc1 ZINC000339316406 1014209502 /nfs/dbraw/zinc/20/95/02/1014209502.db2.gz JOAOXUAIDSZIGM-NRFANRHFSA-N 1 2 349.434 3.681 20 0 EHADLO O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000579715123 1014244453 /nfs/dbraw/zinc/24/44/53/1014244453.db2.gz PXDPKJKQLAOSNP-LJQANCHMSA-N 1 2 337.467 3.810 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1 ZINC000274580869 1014277683 /nfs/dbraw/zinc/27/76/83/1014277683.db2.gz ISXYPDIZDBAICN-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO COCc1nc(C[NH2+]Cc2conc2C)c(-c2ccccc2)s1 ZINC000339387583 1014319117 /nfs/dbraw/zinc/31/91/17/1014319117.db2.gz MFYUFMDNGWFQRX-UHFFFAOYSA-N 1 2 329.425 3.543 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C(F)(F)F)o1 ZINC000274682636 1014530561 /nfs/dbraw/zinc/53/05/61/1014530561.db2.gz RSAIKGQUEZBYKL-GXFFZTMASA-N 1 2 341.333 3.527 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3)c2C1 ZINC000016027323 1014563832 /nfs/dbraw/zinc/56/38/32/1014563832.db2.gz JQJKOZWYKYTTJJ-UHFFFAOYSA-N 1 2 331.419 3.865 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3)c2C1 ZINC000016027323 1014563844 /nfs/dbraw/zinc/56/38/44/1014563844.db2.gz JQJKOZWYKYTTJJ-UHFFFAOYSA-N 1 2 331.419 3.865 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000683160772 1014628212 /nfs/dbraw/zinc/62/82/12/1014628212.db2.gz QRGBPYRJTAKRSU-UHFFFAOYSA-N 1 2 345.512 3.685 20 0 EHADLO COc1cccc(CCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000547648449 1014661790 /nfs/dbraw/zinc/66/17/90/1014661790.db2.gz WQLDYQGZLPIACT-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO COc1cccc(CCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000547648449 1014661798 /nfs/dbraw/zinc/66/17/98/1014661798.db2.gz WQLDYQGZLPIACT-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000339522888 1014688814 /nfs/dbraw/zinc/68/88/14/1014688814.db2.gz FYSIYGHQQYZMJR-UHFFFAOYSA-N 1 2 346.356 3.591 20 0 EHADLO C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000510077611 1014754145 /nfs/dbraw/zinc/75/41/45/1014754145.db2.gz DPBJZRMZGRQWAJ-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000510077611 1014754158 /nfs/dbraw/zinc/75/41/58/1014754158.db2.gz DPBJZRMZGRQWAJ-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO CCCc1cc(Nc2ccc([NH+]3CCCCC3)cc2)n2ncnc2n1 ZINC000064904476 1014911697 /nfs/dbraw/zinc/91/16/97/1014911697.db2.gz XKCAYMNHJADXGH-UHFFFAOYSA-N 1 2 336.443 3.811 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728199505 1014952226 /nfs/dbraw/zinc/95/22/26/1014952226.db2.gz VTIDMHPMMBVYMC-AWEZNQCLSA-N 1 2 328.378 3.543 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728199505 1014952238 /nfs/dbraw/zinc/95/22/38/1014952238.db2.gz VTIDMHPMMBVYMC-AWEZNQCLSA-N 1 2 328.378 3.543 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc(OC)c1OC ZINC000536672179 1032106600 /nfs/dbraw/zinc/10/66/00/1032106600.db2.gz CFZDVQBUMOFEKH-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO COc1cc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc(OC)c1OC ZINC000536672179 1032106611 /nfs/dbraw/zinc/10/66/11/1032106611.db2.gz CFZDVQBUMOFEKH-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@@H]3F)cs2)cc1 ZINC000339587277 1015085057 /nfs/dbraw/zinc/08/50/57/1015085057.db2.gz OYQYYPLNBJLJGN-HOTGVXAUSA-N 1 2 336.432 3.711 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000339603082 1015170926 /nfs/dbraw/zinc/17/09/26/1015170926.db2.gz IOQGRYQLKLFTKZ-UHFFFAOYSA-N 1 2 328.334 3.810 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000339603082 1015170930 /nfs/dbraw/zinc/17/09/30/1015170930.db2.gz IOQGRYQLKLFTKZ-UHFFFAOYSA-N 1 2 328.334 3.810 20 0 EHADLO C[N@H+](Cc1ccccc1F)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167077808 1015183488 /nfs/dbraw/zinc/18/34/88/1015183488.db2.gz NWGLCZLQDZKBRK-GOSISDBHSA-N 1 2 330.378 3.592 20 0 EHADLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167077808 1015183493 /nfs/dbraw/zinc/18/34/93/1015183493.db2.gz NWGLCZLQDZKBRK-GOSISDBHSA-N 1 2 330.378 3.592 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1conc1CC ZINC000339609162 1015233924 /nfs/dbraw/zinc/23/39/24/1015233924.db2.gz SQHBSWBYWHYPCD-UHFFFAOYSA-N 1 2 342.395 3.792 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1conc1CC ZINC000339609162 1015233936 /nfs/dbraw/zinc/23/39/36/1015233936.db2.gz SQHBSWBYWHYPCD-UHFFFAOYSA-N 1 2 342.395 3.792 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CCC[C@@H](C)CC3)[nH]2)cc1 ZINC000748082257 1015329054 /nfs/dbraw/zinc/32/90/54/1015329054.db2.gz HNVDEVZGDCJMEI-CYBMUJFWSA-N 1 2 332.473 3.696 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CCC[C@@H](C)CC3)[nH]2)cc1 ZINC000748082257 1015329062 /nfs/dbraw/zinc/32/90/62/1015329062.db2.gz HNVDEVZGDCJMEI-CYBMUJFWSA-N 1 2 332.473 3.696 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000069518920 1015333852 /nfs/dbraw/zinc/33/38/52/1015333852.db2.gz QKDQIIPHMMQDHG-LLVKDONJSA-N 1 2 334.217 3.883 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000069518920 1015333854 /nfs/dbraw/zinc/33/38/54/1015333854.db2.gz QKDQIIPHMMQDHG-LLVKDONJSA-N 1 2 334.217 3.883 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531973 1015339496 /nfs/dbraw/zinc/33/94/96/1015339496.db2.gz HUUFYYLHBHAOKX-NVXWUHKLSA-N 1 2 343.496 3.933 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)ccc1Cl ZINC000655338274 1015369530 /nfs/dbraw/zinc/36/95/30/1015369530.db2.gz BPQHDKJSEKUEGB-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)ccc1Cl ZINC000655338274 1015369542 /nfs/dbraw/zinc/36/95/42/1015369542.db2.gz BPQHDKJSEKUEGB-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000339624754 1015406313 /nfs/dbraw/zinc/40/63/13/1015406313.db2.gz OCILHULMNBCLQX-GDBMZVCRSA-N 1 2 346.862 3.724 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000339627772 1015412283 /nfs/dbraw/zinc/41/22/83/1015412283.db2.gz AUVBEBAIAXCMLK-GJZGRUSLSA-N 1 2 342.443 3.619 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000339631831 1015431810 /nfs/dbraw/zinc/43/18/10/1015431810.db2.gz XTXPUJAQZKWRDJ-LSDHHAIUSA-N 1 2 342.443 3.619 20 0 EHADLO COc1cccc([C@@H](C)[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000343736171 1032119045 /nfs/dbraw/zinc/11/90/45/1032119045.db2.gz PRNZVYVMTXSQLD-GFCCVEGCSA-N 1 2 327.350 3.647 20 0 EHADLO COc1cccc([C@@H](C)[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000343736171 1032119049 /nfs/dbraw/zinc/11/90/49/1032119049.db2.gz PRNZVYVMTXSQLD-GFCCVEGCSA-N 1 2 327.350 3.647 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)s1 ZINC000339776590 1015673063 /nfs/dbraw/zinc/67/30/63/1015673063.db2.gz LZSUWOPPCUKNMJ-UHFFFAOYSA-N 1 2 339.867 3.875 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000274995061 1015721999 /nfs/dbraw/zinc/72/19/99/1015721999.db2.gz MKIYXHMSANYRFY-UHFFFAOYSA-N 1 2 348.491 3.848 20 0 EHADLO O[C@H](C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)C(F)(F)F ZINC000547739005 1015739177 /nfs/dbraw/zinc/73/91/77/1015739177.db2.gz MNNCDYSVFMWDCI-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246114338 1015787910 /nfs/dbraw/zinc/78/79/10/1015787910.db2.gz KHHKUKKXMKQILA-KFWWJZLASA-N 1 2 339.505 3.663 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246114338 1015787914 /nfs/dbraw/zinc/78/79/14/1015787914.db2.gz KHHKUKKXMKQILA-KFWWJZLASA-N 1 2 339.505 3.663 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccn1 ZINC000339865148 1015790748 /nfs/dbraw/zinc/79/07/48/1015790748.db2.gz IALJCPOJVRUDGX-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccn1 ZINC000339865148 1015790753 /nfs/dbraw/zinc/79/07/53/1015790753.db2.gz IALJCPOJVRUDGX-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CCC(=O)c2ccccc21 ZINC000339877433 1015803517 /nfs/dbraw/zinc/80/35/17/1015803517.db2.gz FCMUWSDBIKIKKN-INIZCTEOSA-N 1 2 331.375 3.571 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045708834 1015915423 /nfs/dbraw/zinc/91/54/23/1015915423.db2.gz BSDUOUDILCHNLK-OAHLLOKOSA-N 1 2 337.398 3.904 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000278722518 1032133681 /nfs/dbraw/zinc/13/36/81/1032133681.db2.gz RIBCQUYFRUKBGR-OCCSQVGLSA-N 1 2 346.397 3.550 20 0 EHADLO CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000180806209 1016042025 /nfs/dbraw/zinc/04/20/25/1016042025.db2.gz NTPPZQSRIRGSEA-IEBWSBKVSA-N 1 2 341.455 3.586 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C2CC2)cc1 ZINC000668410966 1032140681 /nfs/dbraw/zinc/14/06/81/1032140681.db2.gz SRRFPFCQXCNVPW-CQSZACIVSA-N 1 2 334.423 3.772 20 0 EHADLO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001594183384 998707874 /nfs/dbraw/zinc/70/78/74/998707874.db2.gz SRMRSKXRDCFFLG-QRQLOZEOSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001594183384 998707876 /nfs/dbraw/zinc/70/78/76/998707876.db2.gz SRMRSKXRDCFFLG-QRQLOZEOSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@@H+]1C ZINC001594245155 998935793 /nfs/dbraw/zinc/93/57/93/998935793.db2.gz IAUKRQSJQZYZIA-RHSMWYFYSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@H+]1C ZINC001594245155 998935797 /nfs/dbraw/zinc/93/57/97/998935797.db2.gz IAUKRQSJQZYZIA-RHSMWYFYSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245155 998935804 /nfs/dbraw/zinc/93/58/04/998935804.db2.gz IAUKRQSJQZYZIA-RHSMWYFYSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245155 998935810 /nfs/dbraw/zinc/93/58/10/998935810.db2.gz IAUKRQSJQZYZIA-RHSMWYFYSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375254 999415099 /nfs/dbraw/zinc/41/50/99/999415099.db2.gz YNNSZWWWIKWXET-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375254 999415100 /nfs/dbraw/zinc/41/51/00/999415100.db2.gz YNNSZWWWIKWXET-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375254 999415101 /nfs/dbraw/zinc/41/51/01/999415101.db2.gz YNNSZWWWIKWXET-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375254 999415102 /nfs/dbraw/zinc/41/51/02/999415102.db2.gz YNNSZWWWIKWXET-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000043312076 1016333795 /nfs/dbraw/zinc/33/37/95/1016333795.db2.gz LGGRZNVQAAFVSQ-GOSISDBHSA-N 1 2 328.460 3.703 20 0 EHADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(F)c1 ZINC000430328730 1016371262 /nfs/dbraw/zinc/37/12/62/1016371262.db2.gz FVUNABAPTTXZQA-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(F)c1 ZINC000430328730 1016371273 /nfs/dbraw/zinc/37/12/73/1016371273.db2.gz FVUNABAPTTXZQA-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000120758441 1016437008 /nfs/dbraw/zinc/43/70/08/1016437008.db2.gz MWCQZXZTGZSQAL-UHFFFAOYSA-N 1 2 349.438 3.755 20 0 EHADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCCc1cccc(Cl)c1 ZINC001167178564 1016487436 /nfs/dbraw/zinc/48/74/36/1016487436.db2.gz DUHYGNBJUMQSNL-MRXNPFEDSA-N 1 2 341.904 3.643 20 0 EHADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCCc1cccc(Cl)c1 ZINC001167178564 1016487447 /nfs/dbraw/zinc/48/74/47/1016487447.db2.gz DUHYGNBJUMQSNL-MRXNPFEDSA-N 1 2 341.904 3.643 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275362152 1016562317 /nfs/dbraw/zinc/56/23/17/1016562317.db2.gz WMQSJFXYYVQGQO-KSSFIOAISA-N 1 2 342.443 3.585 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)c1ccnn1C ZINC000926811871 1016591735 /nfs/dbraw/zinc/59/17/35/1016591735.db2.gz IVMSDZGVDCDDSY-IUCAKERBSA-N 1 2 332.757 3.899 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)c1nnc2ccccn21 ZINC000393430361 1016656143 /nfs/dbraw/zinc/65/61/43/1016656143.db2.gz BLDASOFUJOWHMR-NSHDSACASA-N 1 2 326.787 3.980 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cccc(F)c1Sc1ccccc1 ZINC000362342695 1016716912 /nfs/dbraw/zinc/71/69/12/1016716912.db2.gz NLLAGUZNYBLYPE-UHFFFAOYSA-N 1 2 341.411 3.640 20 0 EHADLO CCOC(=O)N1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC001167258928 1016831969 /nfs/dbraw/zinc/83/19/69/1016831969.db2.gz KHQNQJLBDVOXAH-UHFFFAOYSA-N 1 2 345.270 3.700 20 0 EHADLO CCOC(=O)N1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC001167258928 1016831985 /nfs/dbraw/zinc/83/19/85/1016831985.db2.gz KHQNQJLBDVOXAH-UHFFFAOYSA-N 1 2 345.270 3.700 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179076097 1016853144 /nfs/dbraw/zinc/85/31/44/1016853144.db2.gz LSFJICKPNDUODL-CQSZACIVSA-N 1 2 326.415 3.773 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000179076097 1016853163 /nfs/dbraw/zinc/85/31/63/1016853163.db2.gz LSFJICKPNDUODL-CQSZACIVSA-N 1 2 326.415 3.773 20 0 EHADLO CC1(C)CN(c2cc[nH+]c3c(Br)cccc23)CC[C@H]1O ZINC000275508890 1016943051 /nfs/dbraw/zinc/94/30/51/1016943051.db2.gz URXZPSRQNFCDRX-CQSZACIVSA-N 1 2 335.245 3.595 20 0 EHADLO COc1cc(-c2nc(C[NH2+][C@@H](C)c3ccccn3)cs2)ccc1O ZINC000181804027 1016995257 /nfs/dbraw/zinc/99/52/57/1016995257.db2.gz NRNURLXZSZMOHV-LBPRGKRZSA-N 1 2 341.436 3.770 20 0 EHADLO FC(F)(F)c1ncccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000625260656 1017002261 /nfs/dbraw/zinc/00/22/61/1017002261.db2.gz PDRUIRXUJSPGHM-UHFFFAOYSA-N 1 2 332.329 3.576 20 0 EHADLO C[C@H]1C[NH+](Cc2ccc(I)cc2)C[C@H](C)S1 ZINC000088185813 1017022096 /nfs/dbraw/zinc/02/20/96/1017022096.db2.gz QSDUSKMXZBGXFT-QWRGUYRKSA-N 1 2 347.265 3.617 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(Cl)cccc1OC)CCO2 ZINC000323362994 1017042757 /nfs/dbraw/zinc/04/27/57/1017042757.db2.gz LHJGRIYIPRTUBJ-INIZCTEOSA-N 1 2 333.815 3.971 20 0 EHADLO FC(F)(F)OCCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC001167280371 1017052368 /nfs/dbraw/zinc/05/23/68/1017052368.db2.gz VKPJTNAZSLKOQL-UHFFFAOYSA-N 1 2 338.167 3.734 20 0 EHADLO FC(F)(F)OCCC[N@H+]1CCc2c(Br)cccc2C1 ZINC001167280371 1017052373 /nfs/dbraw/zinc/05/23/73/1017052373.db2.gz VKPJTNAZSLKOQL-UHFFFAOYSA-N 1 2 338.167 3.734 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CCCO1 ZINC000378778290 1017235138 /nfs/dbraw/zinc/23/51/38/1017235138.db2.gz GFRDYCAFORDOGN-OAHLLOKOSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCCO1 ZINC000378778290 1017235144 /nfs/dbraw/zinc/23/51/44/1017235144.db2.gz GFRDYCAFORDOGN-OAHLLOKOSA-N 1 2 330.241 3.835 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000584354332 1032184787 /nfs/dbraw/zinc/18/47/87/1032184787.db2.gz KJRWFQFCPBHRDO-DNVCBOLYSA-N 1 2 329.419 3.597 20 0 EHADLO CC[N@H+](CCNCc1ccnc2c(Br)cccc12)C1CC1 ZINC000449110981 1032191905 /nfs/dbraw/zinc/19/19/05/1032191905.db2.gz HYWFRHGJAITOHV-UHFFFAOYSA-N 1 2 348.288 3.571 20 0 EHADLO CC[N@@H+](CCNCc1ccnc2c(Br)cccc12)C1CC1 ZINC000449110981 1032191909 /nfs/dbraw/zinc/19/19/09/1032191909.db2.gz HYWFRHGJAITOHV-UHFFFAOYSA-N 1 2 348.288 3.571 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(Cl)c1 ZINC000459498687 1032195699 /nfs/dbraw/zinc/19/56/99/1032195699.db2.gz BZVGAWOMJJCSMX-GDZNZVCISA-N 1 2 327.827 3.556 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(Cl)c1 ZINC000459498687 1032195703 /nfs/dbraw/zinc/19/57/03/1032195703.db2.gz BZVGAWOMJJCSMX-GDZNZVCISA-N 1 2 327.827 3.556 20 0 EHADLO C[C@@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccn1C ZINC000538207062 1032205740 /nfs/dbraw/zinc/20/57/40/1032205740.db2.gz BIAYXCBZRPWTST-RHSMWYFYSA-N 1 2 332.879 3.561 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(C3CCC3)no2)cc1 ZINC000639907365 1032210293 /nfs/dbraw/zinc/21/02/93/1032210293.db2.gz CFCPMBRJCPUJIJ-ZBFHGGJFSA-N 1 2 333.819 3.610 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459509237 1032234460 /nfs/dbraw/zinc/23/44/60/1032234460.db2.gz UJVUETIZQAUZGP-UHFFFAOYSA-N 1 2 339.414 3.588 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cccnc1C(F)(F)F ZINC000528403376 1032239167 /nfs/dbraw/zinc/23/91/67/1032239167.db2.gz KPUSTYJSFXPLRO-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccnc1C(F)(F)F ZINC000528403376 1032239181 /nfs/dbraw/zinc/23/91/81/1032239181.db2.gz KPUSTYJSFXPLRO-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183925555 1032243088 /nfs/dbraw/zinc/24/30/88/1032243088.db2.gz FLCOSHCGLSCLOK-UHFFFAOYSA-N 1 2 344.405 3.511 20 0 EHADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000081071405 1032259227 /nfs/dbraw/zinc/25/92/27/1032259227.db2.gz SICDOJAXMLFLLA-HZPDHXFCSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000459548815 1032265880 /nfs/dbraw/zinc/26/58/80/1032265880.db2.gz QXYXJGQANJMXIM-PWSUYJOCSA-N 1 2 339.760 3.780 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000459548815 1032265892 /nfs/dbraw/zinc/26/58/92/1032265892.db2.gz QXYXJGQANJMXIM-PWSUYJOCSA-N 1 2 339.760 3.780 20 0 EHADLO O=C(NCc1ccc(C(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184582190 1032299104 /nfs/dbraw/zinc/29/91/04/1032299104.db2.gz BNSIZPPORPEZBR-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)no1 ZINC000647331209 1032300860 /nfs/dbraw/zinc/30/08/60/1032300860.db2.gz WTTIGKUDINQAIY-BXUZGUMPSA-N 1 2 344.333 3.656 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C(C)(C)C1 ZINC000184727389 1032320500 /nfs/dbraw/zinc/32/05/00/1032320500.db2.gz QXWIZVXPWSAGMI-UHFFFAOYSA-N 1 2 328.412 3.515 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C(C)(C)C1 ZINC000184727389 1032320510 /nfs/dbraw/zinc/32/05/10/1032320510.db2.gz QXWIZVXPWSAGMI-UHFFFAOYSA-N 1 2 328.412 3.515 20 0 EHADLO Cc1csc2nc(CSCc3ccc(C)[nH+]c3C)cc(=O)n12 ZINC000184805177 1032321864 /nfs/dbraw/zinc/32/18/64/1032321864.db2.gz ASUBXGBQWCCQLB-UHFFFAOYSA-N 1 2 331.466 3.510 20 0 EHADLO CSc1cc(Br)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000459606408 1032325238 /nfs/dbraw/zinc/32/52/38/1032325238.db2.gz NGECQNKTGJXBCK-UHFFFAOYSA-N 1 2 342.302 3.783 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184888292 1032329893 /nfs/dbraw/zinc/32/98/93/1032329893.db2.gz CMFBSYFFQZHBJQ-HNNXBMFYSA-N 1 2 335.407 3.939 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000536843114 1032336912 /nfs/dbraw/zinc/33/69/12/1032336912.db2.gz CEKIIASQBVFKPA-ZDUSSCGKSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000185134290 1032353373 /nfs/dbraw/zinc/35/33/73/1032353373.db2.gz QLQMRXLRBKQCGW-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449248780 1032353668 /nfs/dbraw/zinc/35/36/68/1032353668.db2.gz KGDOHBVVPFTMAD-VIFPVBQESA-N 1 2 335.300 3.792 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-c2ccccc2F)o1 ZINC000118724844 1032364331 /nfs/dbraw/zinc/36/43/31/1032364331.db2.gz YQCJIIMFVAYOCU-UHFFFAOYSA-N 1 2 339.370 3.713 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCC12CC2 ZINC000528520765 1032398953 /nfs/dbraw/zinc/39/89/53/1032398953.db2.gz NGYHAYDHWHTOAT-HOCLYGCPSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCC12CC2 ZINC000528520765 1032398962 /nfs/dbraw/zinc/39/89/62/1032398962.db2.gz NGYHAYDHWHTOAT-HOCLYGCPSA-N 1 2 348.437 3.626 20 0 EHADLO C[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503781 1032407602 /nfs/dbraw/zinc/40/76/02/1032407602.db2.gz LAGXUKURKHSMNA-HZMBPMFUSA-N 1 2 346.780 3.562 20 0 EHADLO C[C@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503781 1032407608 /nfs/dbraw/zinc/40/76/08/1032407608.db2.gz LAGXUKURKHSMNA-HZMBPMFUSA-N 1 2 346.780 3.562 20 0 EHADLO CCc1ccc([C@H]2CCC[N@H+](Cc3coc(S(C)(=O)=O)c3)C2)cc1 ZINC000528504365 1032408378 /nfs/dbraw/zinc/40/83/78/1032408378.db2.gz MPCAPZCKNGCAPO-SFHVURJKSA-N 1 2 347.480 3.625 20 0 EHADLO CCc1ccc([C@H]2CCC[N@@H+](Cc3coc(S(C)(=O)=O)c3)C2)cc1 ZINC000528504365 1032408381 /nfs/dbraw/zinc/40/83/81/1032408381.db2.gz MPCAPZCKNGCAPO-SFHVURJKSA-N 1 2 347.480 3.625 20 0 EHADLO Cc1[nH+]c(NCc2cccn2CCC(C)C)ccc1-c1cnn(C)c1 ZINC000449346904 1032463662 /nfs/dbraw/zinc/46/36/62/1032463662.db2.gz OVFHXYULTDLJJK-UHFFFAOYSA-N 1 2 337.471 3.672 20 0 EHADLO CCc1cnc(C[NH2+]Cc2c(Cl)cccc2-n2ccnc2)s1 ZINC000449349326 1032465753 /nfs/dbraw/zinc/46/57/53/1032465753.db2.gz FIOAFAHDTYMOPK-UHFFFAOYSA-N 1 2 332.860 3.834 20 0 EHADLO COCCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000528573897 1032475812 /nfs/dbraw/zinc/47/58/12/1032475812.db2.gz LJRNSLVBZCDCOC-UHFFFAOYSA-N 1 2 346.496 3.971 20 0 EHADLO Clc1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000459766549 1032470246 /nfs/dbraw/zinc/47/02/46/1032470246.db2.gz WCXLNRRTPCSYEK-UHFFFAOYSA-N 1 2 328.843 3.692 20 0 EHADLO Clc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000459766549 1032470253 /nfs/dbraw/zinc/47/02/53/1032470253.db2.gz WCXLNRRTPCSYEK-UHFFFAOYSA-N 1 2 328.843 3.692 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1cnc(-c3ccc(Cl)cc3)s1)C2 ZINC000376773680 1017094933 /nfs/dbraw/zinc/09/49/33/1017094933.db2.gz SBPMTQCJAWVDET-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000537027574 1032491412 /nfs/dbraw/zinc/49/14/12/1032491412.db2.gz FEVKFEAOXNNTAT-CQSZACIVSA-N 1 2 346.421 3.836 20 0 EHADLO COc1cc(OC)cc(Oc2ccc(C[NH2+]C(CF)CF)cc2)c1 ZINC000449378403 1032504731 /nfs/dbraw/zinc/50/47/31/1032504731.db2.gz DPPQYRWVYFLYNJ-UHFFFAOYSA-N 1 2 337.366 3.893 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](CC)c2ccccc2OCC)cs1 ZINC000537049322 1032503490 /nfs/dbraw/zinc/50/34/90/1032503490.db2.gz BKAPPVUKDYZIRM-OAHLLOKOSA-N 1 2 348.468 3.959 20 0 EHADLO Fc1ccc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)cc1F ZINC000537053550 1032503625 /nfs/dbraw/zinc/50/36/25/1032503625.db2.gz VRBMMIUDWKQFDP-UHFFFAOYSA-N 1 2 327.334 3.794 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)o1 ZINC000088604726 1032505863 /nfs/dbraw/zinc/50/58/63/1032505863.db2.gz OKZKVJVZMPOUMP-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)o1 ZINC000088604726 1032505869 /nfs/dbraw/zinc/50/58/69/1032505869.db2.gz OKZKVJVZMPOUMP-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000088785234 1032510274 /nfs/dbraw/zinc/51/02/74/1032510274.db2.gz YRUJIBSRBYZMPT-DZGCQCFKSA-N 1 2 330.407 3.507 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000089970485 1032549144 /nfs/dbraw/zinc/54/91/44/1032549144.db2.gz VCSHHTLTXVQFTE-UHFFFAOYSA-N 1 2 327.268 3.595 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000449418695 1032551821 /nfs/dbraw/zinc/55/18/21/1032551821.db2.gz FATKFKDCSKCLJO-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000449418695 1032551828 /nfs/dbraw/zinc/55/18/28/1032551828.db2.gz FATKFKDCSKCLJO-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1Br ZINC000090223729 1032564149 /nfs/dbraw/zinc/56/41/49/1032564149.db2.gz RHSGBCQFJWWBOH-CABCVRRESA-N 1 2 349.276 3.925 20 0 EHADLO CC(C)C(=O)NC[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088600 1032570315 /nfs/dbraw/zinc/57/03/15/1032570315.db2.gz BSENICUXZPPUNF-INIZCTEOSA-N 1 2 346.519 3.712 20 0 EHADLO Cc1cc([C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C2CC2)ccc1F ZINC000537222029 1032574527 /nfs/dbraw/zinc/57/45/27/1032574527.db2.gz YBQKDDUMXSPOPY-OAHLLOKOSA-N 1 2 343.324 3.863 20 0 EHADLO CN(C)C(=O)[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccccc1 ZINC000628209572 1032592889 /nfs/dbraw/zinc/59/28/89/1032592889.db2.gz KSPAMSCLFRDYJN-ZDUSSCGKSA-N 1 2 342.386 3.686 20 0 EHADLO Cc1cc2[nH]c(C[NH2+]Cc3ncc(C(F)(F)F)cn3)cc2c(C)c1 ZINC000449475688 1032596714 /nfs/dbraw/zinc/59/67/14/1032596714.db2.gz XWWVDKYTLHADRF-UHFFFAOYSA-N 1 2 334.345 3.883 20 0 EHADLO CC(C)([NH2+]Cc1ccc(-c2ccccc2)o1)c1nnc2n1CCCC2 ZINC000449462989 1032613248 /nfs/dbraw/zinc/61/32/48/1032613248.db2.gz VGNLTBXOJFGXAX-UHFFFAOYSA-N 1 2 336.439 3.899 20 0 EHADLO CC(C)([NH2+]Cc1cc2cc(F)ccc2o1)c1nnc2n1CCCC2 ZINC000449463911 1032613575 /nfs/dbraw/zinc/61/35/75/1032613575.db2.gz XHRFGCAXFRFTIZ-UHFFFAOYSA-N 1 2 328.391 3.525 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccs1 ZINC000606345000 1032627535 /nfs/dbraw/zinc/62/75/35/1032627535.db2.gz KKUCAQNQOSENMY-HFTQHKIXSA-N 1 2 340.492 3.709 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000593017409 1032643123 /nfs/dbraw/zinc/64/31/23/1032643123.db2.gz KOXGXKKAJHPPMT-CABCVRRESA-N 1 2 332.444 3.703 20 0 EHADLO O=C(Nc1ccc(COc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000091166548 1032649334 /nfs/dbraw/zinc/64/93/34/1032649334.db2.gz FGPFVDRIDMHQEV-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091230914 1032672276 /nfs/dbraw/zinc/67/22/76/1032672276.db2.gz KHEXGADBPLEZQJ-RHSMWYFYSA-N 1 2 342.418 3.515 20 0 EHADLO CC(C)CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000510275433 1017145765 /nfs/dbraw/zinc/14/57/65/1017145765.db2.gz UOTXOYZTKXLWSP-GOSISDBHSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000625273396 1017157316 /nfs/dbraw/zinc/15/73/16/1017157316.db2.gz BYOHVIUJUREPTN-CHWSQXEVSA-N 1 2 344.377 3.607 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccc(F)cc1 ZINC000606449504 1032695434 /nfs/dbraw/zinc/69/54/34/1032695434.db2.gz XVNCKVHDJIFUNP-KGLIPLIRSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccc(F)cc1 ZINC000606449504 1032695441 /nfs/dbraw/zinc/69/54/41/1032695441.db2.gz XVNCKVHDJIFUNP-KGLIPLIRSA-N 1 2 344.405 3.761 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000537379383 1032697244 /nfs/dbraw/zinc/69/72/44/1032697244.db2.gz KALHQGDJPDDZLZ-CQSZACIVSA-N 1 2 326.425 3.794 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000549159759 1017437874 /nfs/dbraw/zinc/43/78/74/1017437874.db2.gz QQSNWOTWCBWXDK-UHFFFAOYSA-N 1 2 332.350 3.676 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000549159759 1017437885 /nfs/dbraw/zinc/43/78/85/1017437885.db2.gz QQSNWOTWCBWXDK-UHFFFAOYSA-N 1 2 332.350 3.676 20 0 EHADLO C[NH+](C)[C@H](CN[C@@H]1COCc2cccc(Cl)c21)c1ccsc1 ZINC000924605038 1017444021 /nfs/dbraw/zinc/44/40/21/1017444021.db2.gz ZZESDCBZPJCSAL-HZPDHXFCSA-N 1 2 336.888 3.865 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1csc(COC)n1 ZINC000088562503 1017444362 /nfs/dbraw/zinc/44/43/62/1017444362.db2.gz GJZQRGSCXFKALI-INIZCTEOSA-N 1 2 331.485 3.520 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1csc(COC)n1 ZINC000088562503 1017444371 /nfs/dbraw/zinc/44/43/71/1017444371.db2.gz GJZQRGSCXFKALI-INIZCTEOSA-N 1 2 331.485 3.520 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340408198 1017474667 /nfs/dbraw/zinc/47/46/67/1017474667.db2.gz HCARUVYLGFDGQI-UHFFFAOYSA-N 1 2 348.450 3.883 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CCc5ccccc5C4)n3)[nH+]c12 ZINC000574044940 1032705514 /nfs/dbraw/zinc/70/55/14/1032705514.db2.gz KYUFDKRJROSPOO-QGZVFWFLSA-N 1 2 344.418 3.889 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc(Br)cc1F ZINC000655768184 1017554955 /nfs/dbraw/zinc/55/49/55/1017554955.db2.gz RMAWLZPPJHVLPF-IINYFYTJSA-N 1 2 338.224 3.970 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c2ncccc12 ZINC000528735477 1032709142 /nfs/dbraw/zinc/70/91/42/1032709142.db2.gz XXGYMRGXLSXNOR-UHFFFAOYSA-N 1 2 334.398 3.600 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c2ncccc12 ZINC000528735477 1032709158 /nfs/dbraw/zinc/70/91/58/1032709158.db2.gz XXGYMRGXLSXNOR-UHFFFAOYSA-N 1 2 334.398 3.600 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000547953351 1017581949 /nfs/dbraw/zinc/58/19/49/1017581949.db2.gz OYALYBVWVKYKIJ-DOTOQJQBSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547953870 1017582827 /nfs/dbraw/zinc/58/28/27/1017582827.db2.gz BJDFJGXYBLWZEW-FUHWJXTLSA-N 1 2 340.471 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(OC(C)(C)C)cc1 ZINC000655793772 1017624241 /nfs/dbraw/zinc/62/42/41/1017624241.db2.gz CJFSTNDYWUIWLQ-BBRMVZONSA-N 1 2 344.459 3.684 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655793794 1017624523 /nfs/dbraw/zinc/62/45/23/1017624523.db2.gz CVAMLJJGUWMUFX-BPUTZDHNSA-N 1 2 346.862 3.736 20 0 EHADLO COCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)o1 ZINC000892874167 1017627321 /nfs/dbraw/zinc/62/73/21/1017627321.db2.gz KLSDCFSCUVZKCQ-HXUWFJFHSA-N 1 2 338.407 3.579 20 0 EHADLO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655795835 1017632580 /nfs/dbraw/zinc/63/25/80/1017632580.db2.gz CZQLAXNQQJFYMG-IRXDYDNUSA-N 1 2 328.460 3.547 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655798539 1017636928 /nfs/dbraw/zinc/63/69/28/1017636928.db2.gz XJDSDLIMQNABLY-YOEHRIQHSA-N 1 2 344.459 3.686 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C1CCCC1 ZINC000655811641 1017670586 /nfs/dbraw/zinc/67/05/86/1017670586.db2.gz JOXLNRPZCHCAGR-GOSISDBHSA-N 1 2 327.476 3.758 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)C(C)(C)c3ccccc3)[nH+]c12 ZINC000590242594 1017708651 /nfs/dbraw/zinc/70/86/51/1017708651.db2.gz YBDVFCCGBPZHOD-INIZCTEOSA-N 1 2 335.451 3.668 20 0 EHADLO COc1cccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1F ZINC000651962896 1017711105 /nfs/dbraw/zinc/71/11/05/1017711105.db2.gz VVCDSFUAQMPABK-QGZVFWFLSA-N 1 2 339.414 3.641 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472755219 1017732312 /nfs/dbraw/zinc/73/23/12/1017732312.db2.gz SVWQRLLGWDOCGI-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472755219 1017732323 /nfs/dbraw/zinc/73/23/23/1017732323.db2.gz SVWQRLLGWDOCGI-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143494910 1017738804 /nfs/dbraw/zinc/73/88/04/1017738804.db2.gz CBBBPMOMEPJEKC-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143494910 1017738817 /nfs/dbraw/zinc/73/88/17/1017738817.db2.gz CBBBPMOMEPJEKC-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000008005779 1017756691 /nfs/dbraw/zinc/75/66/91/1017756691.db2.gz MLHPKCVATGPMEI-ZDUSSCGKSA-N 1 2 338.879 3.618 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000008005779 1017756705 /nfs/dbraw/zinc/75/67/05/1017756705.db2.gz MLHPKCVATGPMEI-ZDUSSCGKSA-N 1 2 338.879 3.618 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)ns1 ZINC000528745737 1032724590 /nfs/dbraw/zinc/72/45/90/1032724590.db2.gz RCWAKDBMMYFPSB-CQSZACIVSA-N 1 2 334.464 3.511 20 0 EHADLO CN(C)c1nc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)ns1 ZINC000528745737 1032724610 /nfs/dbraw/zinc/72/46/10/1032724610.db2.gz RCWAKDBMMYFPSB-CQSZACIVSA-N 1 2 334.464 3.511 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547973802 1017838226 /nfs/dbraw/zinc/83/82/26/1017838226.db2.gz JFALMQWRAVDMRB-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547973802 1017838240 /nfs/dbraw/zinc/83/82/40/1017838240.db2.gz JFALMQWRAVDMRB-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO CCc1nc([C@@H]2CCCCN2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000377487755 1017890210 /nfs/dbraw/zinc/89/02/10/1017890210.db2.gz JLRRPYXDHBPURN-KRWDZBQOSA-N 1 2 337.427 3.545 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000092223836 1032732294 /nfs/dbraw/zinc/73/22/94/1032732294.db2.gz SECHSPZRYBYLGS-HNNXBMFYSA-N 1 2 325.441 3.578 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000092223836 1032732298 /nfs/dbraw/zinc/73/22/98/1032732298.db2.gz SECHSPZRYBYLGS-HNNXBMFYSA-N 1 2 325.441 3.578 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000340459681 1017911459 /nfs/dbraw/zinc/91/14/59/1017911459.db2.gz KBRHKICRGNSNMB-UHFFFAOYSA-N 1 2 349.887 3.952 20 0 EHADLO C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343845639 1017949737 /nfs/dbraw/zinc/94/97/37/1017949737.db2.gz YASLVXSSVLFSFN-UWVGGRQHSA-N 1 2 333.379 3.708 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661535120 1018029286 /nfs/dbraw/zinc/02/92/86/1018029286.db2.gz FMQXMEHYSOIYCU-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661535120 1018029297 /nfs/dbraw/zinc/02/92/97/1018029297.db2.gz FMQXMEHYSOIYCU-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1Cl ZINC000659849557 1018032157 /nfs/dbraw/zinc/03/21/57/1018032157.db2.gz QPVLWCYRMQUYET-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1Cl ZINC000659849557 1018032166 /nfs/dbraw/zinc/03/21/66/1018032166.db2.gz QPVLWCYRMQUYET-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(OC2CCC2)cc1Cl ZINC000340492466 1018117973 /nfs/dbraw/zinc/11/79/73/1018117973.db2.gz XYQZFACCGJPHIE-UHFFFAOYSA-N 1 2 345.830 3.508 20 0 EHADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962128 1032747161 /nfs/dbraw/zinc/74/71/61/1032747161.db2.gz XYZHTLOTSSHVTK-DNVCBOLYSA-N 1 2 344.528 3.579 20 0 EHADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962128 1032747182 /nfs/dbraw/zinc/74/71/82/1032747182.db2.gz XYZHTLOTSSHVTK-DNVCBOLYSA-N 1 2 344.528 3.579 20 0 EHADLO CCCCc1noc([C@H](C)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377684278 1018186747 /nfs/dbraw/zinc/18/67/47/1018186747.db2.gz WHGKUTICANWVDE-OWQGQXMQSA-N 1 2 346.450 3.647 20 0 EHADLO CCCCc1noc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377684278 1018186752 /nfs/dbraw/zinc/18/67/52/1018186752.db2.gz WHGKUTICANWVDE-OWQGQXMQSA-N 1 2 346.450 3.647 20 0 EHADLO O=C(CCF)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000893034432 1018228251 /nfs/dbraw/zinc/22/82/51/1018228251.db2.gz VOKTWJIFMGHQAP-ZDUSSCGKSA-N 1 2 331.174 3.834 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\Sc2ccccc2)c1C ZINC000255143573 1018238374 /nfs/dbraw/zinc/23/83/74/1018238374.db2.gz PRZMUWWRHQPBST-KHPPLWFESA-N 1 2 342.464 3.971 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc2cnccc2c1 ZINC000683750177 1018302806 /nfs/dbraw/zinc/30/28/06/1018302806.db2.gz BOBCBSVVCKAURM-UHFFFAOYSA-N 1 2 332.407 3.843 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001231989050 1032757375 /nfs/dbraw/zinc/75/73/75/1032757375.db2.gz RZSNTMZVTPSWCT-NEPJUHHUSA-N 1 2 327.241 3.995 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001231989050 1032757382 /nfs/dbraw/zinc/75/73/82/1032757382.db2.gz RZSNTMZVTPSWCT-NEPJUHHUSA-N 1 2 327.241 3.995 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)C2)cc1 ZINC000656047043 1018355763 /nfs/dbraw/zinc/35/57/63/1018355763.db2.gz LIACVOFLFHMPKU-MLHJIOFPSA-N 1 2 339.439 3.547 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)C2)cc1 ZINC000656047043 1018355779 /nfs/dbraw/zinc/35/57/79/1018355779.db2.gz LIACVOFLFHMPKU-MLHJIOFPSA-N 1 2 339.439 3.547 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000343849298 1018437854 /nfs/dbraw/zinc/43/78/54/1018437854.db2.gz YFPNKLMBVUOHKB-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCCC[C@H]1c1ccncc1 ZINC000606582218 1032766109 /nfs/dbraw/zinc/76/61/09/1032766109.db2.gz HKARPCQKKGMSEA-KRWDZBQOSA-N 1 2 335.411 3.879 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(C)cc(C(F)(F)F)c2)c[nH+]1 ZINC000897560556 1032768629 /nfs/dbraw/zinc/76/86/29/1032768629.db2.gz TUOYHOVOLRBHSP-UHFFFAOYSA-N 1 2 325.334 3.893 20 0 EHADLO CSc1ccc(Cl)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178133135 1018526648 /nfs/dbraw/zinc/52/66/48/1018526648.db2.gz RTICPMHTFNTMTN-UHFFFAOYSA-N 1 2 338.864 3.812 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000044850318 1018559791 /nfs/dbraw/zinc/55/97/91/1018559791.db2.gz BAAVAFJTSSPERT-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000044850318 1018559802 /nfs/dbraw/zinc/55/98/02/1018559802.db2.gz BAAVAFJTSSPERT-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO c1cc2cc(Nc3ccccc3C[NH+]3CCOCC3)cnc2s1 ZINC001210693531 1018561517 /nfs/dbraw/zinc/56/15/17/1018561517.db2.gz ISPSKFGHIKSKHP-UHFFFAOYSA-N 1 2 325.437 3.872 20 0 EHADLO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000549376636 1018578598 /nfs/dbraw/zinc/57/85/98/1018578598.db2.gz OHJCDNYPTIRGFD-FZKQIMNGSA-N 1 2 342.393 3.783 20 0 EHADLO Cc1cc(OCc2ccc(S(C)(=O)=O)cc2)c2ccccc2[nH+]1 ZINC000340599648 1018610744 /nfs/dbraw/zinc/61/07/44/1018610744.db2.gz HBUKKOBBUAOGEM-UHFFFAOYSA-N 1 2 327.405 3.526 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH2+]Cc2ccn(C3CCCC3)n2)s1 ZINC000893144461 1018634769 /nfs/dbraw/zinc/63/47/69/1018634769.db2.gz QBOSQARPCYKWFG-UHFFFAOYSA-N 1 2 344.406 3.849 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052048041 1018715881 /nfs/dbraw/zinc/71/58/81/1018715881.db2.gz YSOFXKWVLDJHDJ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052048041 1018715889 /nfs/dbraw/zinc/71/58/89/1018715889.db2.gz YSOFXKWVLDJHDJ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1Br)c1c(F)cncc1F ZINC000513066038 1018742213 /nfs/dbraw/zinc/74/22/13/1018742213.db2.gz ZFGJOUJGDZIQDP-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1nn2c(C[NH+]3CC(c4ccc(Cl)cc4)C3)c(C)nc2s1 ZINC000449554812 1032788133 /nfs/dbraw/zinc/78/81/33/1032788133.db2.gz DKBPRAQNUBDLRN-UHFFFAOYSA-N 1 2 332.860 3.660 20 0 EHADLO COc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)c1 ZINC000052162740 1018853006 /nfs/dbraw/zinc/85/30/06/1018853006.db2.gz IMGQPEWIMMKZRM-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)c1 ZINC000052162740 1018853022 /nfs/dbraw/zinc/85/30/22/1018853022.db2.gz IMGQPEWIMMKZRM-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(F)cc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255309846 1018925573 /nfs/dbraw/zinc/92/55/73/1018925573.db2.gz ZYXGWVQRABFMDG-WTKPLQERSA-N 1 2 337.354 3.672 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000419368288 1018932507 /nfs/dbraw/zinc/93/25/07/1018932507.db2.gz WMGAOYXODIZRFJ-WFASDCNBSA-N 1 2 326.531 3.958 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000419368288 1018932521 /nfs/dbraw/zinc/93/25/21/1018932521.db2.gz WMGAOYXODIZRFJ-WFASDCNBSA-N 1 2 326.531 3.958 20 0 EHADLO O=C(C[N@@H+]1CCCOCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000344193732 1019004325 /nfs/dbraw/zinc/00/43/25/1019004325.db2.gz ZVXBSICFZLWCGA-UHFFFAOYSA-N 1 2 334.419 3.740 20 0 EHADLO O=C(C[N@H+]1CCCOCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000344193732 1019004342 /nfs/dbraw/zinc/00/43/42/1019004342.db2.gz ZVXBSICFZLWCGA-UHFFFAOYSA-N 1 2 334.419 3.740 20 0 EHADLO O=C([C@@H]1CC2CCC1CC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513101694 1019020716 /nfs/dbraw/zinc/02/07/16/1019020716.db2.gz SZWODQHHMXRVKR-VKYMVXLJSA-N 1 2 332.875 3.639 20 0 EHADLO Cc1cccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022271973 1019244055 /nfs/dbraw/zinc/24/40/55/1019244055.db2.gz LEDHUIFXYWGCHF-UHFFFAOYSA-N 1 2 331.510 3.571 20 0 EHADLO Clc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3C3OCCO3)co2)c1 ZINC000729294667 1019266178 /nfs/dbraw/zinc/26/61/78/1019266178.db2.gz SHTCRCKRWBSGKT-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3C3OCCO3)co2)c1 ZINC000729294667 1019266188 /nfs/dbraw/zinc/26/61/88/1019266188.db2.gz SHTCRCKRWBSGKT-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]C[C@H]2CSc3ccccc32)C2CCCCC2)n1 ZINC000580399012 1019274160 /nfs/dbraw/zinc/27/41/60/1019274160.db2.gz YQLSIZLRIYWGRJ-YOEHRIQHSA-N 1 2 328.485 3.905 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1cccs1)Cc1cccs1 ZINC000070888444 1019298211 /nfs/dbraw/zinc/29/82/11/1019298211.db2.gz AJUYGXACWSLOAS-UHFFFAOYSA-N 1 2 331.466 3.625 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccn(C2CCCCC2)n1 ZINC000548093842 1019319143 /nfs/dbraw/zinc/31/91/43/1019319143.db2.gz NPUZTNIKWIOFBL-UHFFFAOYSA-N 1 2 335.411 3.826 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C/c2ccccc2)c1)[NH+]1CCOCC1 ZINC000729409317 1019349936 /nfs/dbraw/zinc/34/99/36/1019349936.db2.gz VNAUFSGHZKESHC-SXSDINLZSA-N 1 2 336.435 3.732 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449572310 1032827666 /nfs/dbraw/zinc/82/76/66/1032827666.db2.gz MUUGXFKLOUNLAS-RNCFNFMXSA-N 1 2 326.227 3.994 20 0 EHADLO CSc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1F ZINC001211108973 1019469893 /nfs/dbraw/zinc/46/98/93/1019469893.db2.gz RNVPUHDVLUTQMH-UHFFFAOYSA-N 1 2 333.432 3.647 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000513264866 1019480264 /nfs/dbraw/zinc/48/02/64/1019480264.db2.gz AUAGVKPOMOMMON-OKILXGFUSA-N 1 2 343.496 3.592 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000513264866 1019480277 /nfs/dbraw/zinc/48/02/77/1019480277.db2.gz AUAGVKPOMOMMON-OKILXGFUSA-N 1 2 343.496 3.592 20 0 EHADLO CCOC(=O)C[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)CC(C)C ZINC000593218228 1032835562 /nfs/dbraw/zinc/83/55/62/1032835562.db2.gz NVALWNAIORLKSX-INIZCTEOSA-N 1 2 349.475 3.744 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433755548 1019570821 /nfs/dbraw/zinc/57/08/21/1019570821.db2.gz HOWGLEIAAPMYKM-QWHCGFSZSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433755548 1019570834 /nfs/dbraw/zinc/57/08/34/1019570834.db2.gz HOWGLEIAAPMYKM-QWHCGFSZSA-N 1 2 328.382 3.857 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000683981432 1019598275 /nfs/dbraw/zinc/59/82/75/1019598275.db2.gz KPIUHTOHVAOJQE-MSOLQXFVSA-N 1 2 331.460 3.603 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513397412 1019605916 /nfs/dbraw/zinc/60/59/16/1019605916.db2.gz LHOQLYHCGFLVBA-AWEZNQCLSA-N 1 2 346.450 3.780 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513397412 1019605931 /nfs/dbraw/zinc/60/59/31/1019605931.db2.gz LHOQLYHCGFLVBA-AWEZNQCLSA-N 1 2 346.450 3.780 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000513480989 1019730983 /nfs/dbraw/zinc/73/09/83/1019730983.db2.gz MPZYBTYRNPQFOW-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO Cc1cn2cc(NC(=O)NC3(Cc4ccc(F)cc4)CC3)ccc2[nH+]1 ZINC000580622470 1019752407 /nfs/dbraw/zinc/75/24/07/1019752407.db2.gz MHGPEDTWIURSFS-UHFFFAOYSA-N 1 2 338.386 3.679 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000433907809 1019766487 /nfs/dbraw/zinc/76/64/87/1019766487.db2.gz MAXDLLPMCUMUIT-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO Cc1ccc2oc(=NC[C@@H](c3ccccc3Cl)[NH+](C)C)[nH]c2c1 ZINC000513636425 1019893934 /nfs/dbraw/zinc/89/39/34/1019893934.db2.gz ZULYOPZSFLBTII-INIZCTEOSA-N 1 2 329.831 3.926 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCCCC1CCCC1 ZINC000513647199 1019918163 /nfs/dbraw/zinc/91/81/63/1019918163.db2.gz GQMXKSIIILRCIH-SJLPKXTDSA-N 1 2 329.488 3.631 20 0 EHADLO Fc1ccc(CC2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000434075264 1019924359 /nfs/dbraw/zinc/92/43/59/1019924359.db2.gz PAWRJLVXZSMJDD-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO Fc1ccc(CC2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000434075264 1019924373 /nfs/dbraw/zinc/92/43/73/1019924373.db2.gz PAWRJLVXZSMJDD-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc3ccccc3c2)c1C ZINC000050448677 1019926156 /nfs/dbraw/zinc/92/61/56/1019926156.db2.gz YZYHETUNZBCHLU-UHFFFAOYSA-N 1 2 334.419 3.719 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc(Cl)cc2)c1C ZINC000050448771 1019928488 /nfs/dbraw/zinc/92/84/88/1019928488.db2.gz TYUHUJNDTWNWCE-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c1C ZINC000050447697 1019930579 /nfs/dbraw/zinc/93/05/79/1019930579.db2.gz FNOXXCDQQUMOJH-GFCCVEGCSA-N 1 2 330.403 3.656 20 0 EHADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345104689 1019949087 /nfs/dbraw/zinc/94/90/87/1019949087.db2.gz BIWOGRJFDQKFIW-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345104689 1019949104 /nfs/dbraw/zinc/94/91/04/1019949104.db2.gz BIWOGRJFDQKFIW-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1noc(Cc2ccccc2)n1 ZINC000580761805 1019991902 /nfs/dbraw/zinc/99/19/02/1019991902.db2.gz JUEWBMWLEHUNKP-NVXWUHKLSA-N 1 2 341.455 3.803 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055685 1020048722 /nfs/dbraw/zinc/04/87/22/1020048722.db2.gz QMMHPUXDCFSZCV-RDTXWAMCSA-N 1 2 342.439 3.619 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055685 1020048729 /nfs/dbraw/zinc/04/87/29/1020048729.db2.gz QMMHPUXDCFSZCV-RDTXWAMCSA-N 1 2 342.439 3.619 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(OC)cc2OC(F)F)o1 ZINC000449609824 1032873572 /nfs/dbraw/zinc/87/35/72/1032873572.db2.gz DCTDUDDCEQREEW-UHFFFAOYSA-N 1 2 326.343 3.527 20 0 EHADLO Cc1sc2nc(C)nc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1C ZINC000345357019 1020178882 /nfs/dbraw/zinc/17/88/82/1020178882.db2.gz SJMDEHIOZWTXPU-XHDPSFHLSA-N 1 2 341.484 3.901 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccc(Cl)s1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345452176 1020266919 /nfs/dbraw/zinc/26/69/19/1020266919.db2.gz GTSGNNZQCYFYSN-MELADBBJSA-N 1 2 348.855 3.580 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]Cc2ccnc3ccccc23)no1 ZINC000581004571 1020348810 /nfs/dbraw/zinc/34/88/10/1020348810.db2.gz IAPKUQIZGBJDQT-UHFFFAOYSA-N 1 2 330.391 3.883 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000058748225 1032897146 /nfs/dbraw/zinc/89/71/46/1032897146.db2.gz BZYJMXGPQFHYAO-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000058748225 1032897163 /nfs/dbraw/zinc/89/71/63/1032897163.db2.gz BZYJMXGPQFHYAO-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1CC(F)F ZINC000093767292 1032903707 /nfs/dbraw/zinc/90/37/07/1032903707.db2.gz ABLWQUUTPNGFMW-ZDUSSCGKSA-N 1 2 329.460 3.572 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1CC(F)F ZINC000093767292 1032903718 /nfs/dbraw/zinc/90/37/18/1032903718.db2.gz ABLWQUUTPNGFMW-ZDUSSCGKSA-N 1 2 329.460 3.572 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1OC ZINC000093768475 1032906680 /nfs/dbraw/zinc/90/66/80/1032906680.db2.gz LHRUUYNROGNZJQ-GOSISDBHSA-N 1 2 333.453 3.647 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1OC ZINC000093768475 1032906693 /nfs/dbraw/zinc/90/66/93/1032906693.db2.gz LHRUUYNROGNZJQ-GOSISDBHSA-N 1 2 333.453 3.647 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2cncs2)nc[nH+]1)c1cncs1 ZINC000340879326 1020524023 /nfs/dbraw/zinc/52/40/23/1020524023.db2.gz UBLPIHQBIPSSLX-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1)c1cncs1 ZINC000340879326 1020524028 /nfs/dbraw/zinc/52/40/28/1020524028.db2.gz UBLPIHQBIPSSLX-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(NCC3CC3)[nH+]cn2)c(C)c1OC ZINC000340882541 1020534632 /nfs/dbraw/zinc/53/46/32/1020534632.db2.gz ADCZCRVJQFCIOF-CYBMUJFWSA-N 1 2 342.443 3.797 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(NCC3CC3)nc[nH+]2)c(C)c1OC ZINC000340882541 1020534640 /nfs/dbraw/zinc/53/46/40/1020534640.db2.gz ADCZCRVJQFCIOF-CYBMUJFWSA-N 1 2 342.443 3.797 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280656131 1020549399 /nfs/dbraw/zinc/54/93/99/1020549399.db2.gz KPJRSXZEVAZCJM-KXBFYZLASA-N 1 2 349.471 3.707 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@]1=O ZINC000581228663 1020553539 /nfs/dbraw/zinc/55/35/39/1020553539.db2.gz ZENQZQXEIOYBDJ-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@]1=O ZINC000581228663 1020553544 /nfs/dbraw/zinc/55/35/44/1020553544.db2.gz ZENQZQXEIOYBDJ-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000581244593 1020579753 /nfs/dbraw/zinc/57/97/53/1020579753.db2.gz HZDULRSWZHKDFA-JTQLQIEISA-N 1 2 326.227 3.990 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000581244593 1020579759 /nfs/dbraw/zinc/57/97/59/1020579759.db2.gz HZDULRSWZHKDFA-JTQLQIEISA-N 1 2 326.227 3.990 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cc(F)c(C(F)(F)F)cc2F)[nH+]1 ZINC000340909636 1020582425 /nfs/dbraw/zinc/58/24/25/1020582425.db2.gz IWFCFJJMZNTQOQ-UHFFFAOYSA-N 1 2 342.271 3.597 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC3CC3)c1)C2 ZINC000628327475 1020585536 /nfs/dbraw/zinc/58/55/36/1020585536.db2.gz AGQWABKVVPTAMK-UHFFFAOYSA-N 1 2 325.408 3.761 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(OC3CC3)c1)C2 ZINC000628327475 1020585545 /nfs/dbraw/zinc/58/55/45/1020585545.db2.gz AGQWABKVVPTAMK-UHFFFAOYSA-N 1 2 325.408 3.761 20 0 EHADLO COc1cc(F)cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000093882188 1032917586 /nfs/dbraw/zinc/91/75/86/1032917586.db2.gz JEVCDZGRGXSARM-UHFFFAOYSA-N 1 2 349.369 3.575 20 0 EHADLO CC1=C(C)C[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000280747238 1020610976 /nfs/dbraw/zinc/61/09/76/1020610976.db2.gz NABWFTNCEQCANX-UHFFFAOYSA-N 1 2 341.480 3.615 20 0 EHADLO CC1=C(C)C[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000280747238 1020610984 /nfs/dbraw/zinc/61/09/84/1020610984.db2.gz NABWFTNCEQCANX-UHFFFAOYSA-N 1 2 341.480 3.615 20 0 EHADLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2cncs2)nc[nH+]1 ZINC000340919976 1020614052 /nfs/dbraw/zinc/61/40/52/1020614052.db2.gz LHXLQLUQAQWOPA-OGHNNQOOSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1 ZINC000340919976 1020614062 /nfs/dbraw/zinc/61/40/62/1020614062.db2.gz LHXLQLUQAQWOPA-OGHNNQOOSA-N 1 2 347.488 3.722 20 0 EHADLO O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000606950396 1032919921 /nfs/dbraw/zinc/91/99/21/1032919921.db2.gz CZYAKSYSDPJYBC-UHFFFAOYSA-N 1 2 340.814 3.841 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1cccc(O)c1Br ZINC000656471580 1020681544 /nfs/dbraw/zinc/68/15/44/1020681544.db2.gz PTJFPKLZDBOEMM-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340971209 1020709846 /nfs/dbraw/zinc/70/98/46/1020709846.db2.gz BSSLOQGZGLRFKT-NHCUHLMSSA-N 1 2 345.446 3.741 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccccc1C(F)(F)F ZINC000933242943 1020799025 /nfs/dbraw/zinc/79/90/25/1020799025.db2.gz LJCGJBIKJRPBOG-HNNXBMFYSA-N 1 2 345.748 3.888 20 0 EHADLO CC(C)(NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)F ZINC000684233676 1020836363 /nfs/dbraw/zinc/83/63/63/1020836363.db2.gz MCJFJIAAPMPGRK-UHFFFAOYSA-N 1 2 346.381 3.767 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138331 1021001719 /nfs/dbraw/zinc/00/17/19/1021001719.db2.gz OJGGPNYUBKYYGQ-NOZJJQNGSA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138331 1021001726 /nfs/dbraw/zinc/00/17/26/1021001726.db2.gz OJGGPNYUBKYYGQ-NOZJJQNGSA-N 1 2 333.295 3.541 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147033 1021010091 /nfs/dbraw/zinc/01/00/91/1021010091.db2.gz YKXOLGSFEMODOD-QWRGUYRKSA-N 1 2 345.306 3.685 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147033 1021010094 /nfs/dbraw/zinc/01/00/94/1021010094.db2.gz YKXOLGSFEMODOD-QWRGUYRKSA-N 1 2 345.306 3.685 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2cc(Cl)ccc2C(C)(C)C)c1 ZINC000656617802 1021037108 /nfs/dbraw/zinc/03/71/08/1021037108.db2.gz BWAGELPQGXALAW-UHFFFAOYSA-N 1 2 334.851 3.735 20 0 EHADLO Clc1cc(COc2ccccc2-n2cc[nH+]c2)cc2c1OCCO2 ZINC000605434192 1021069496 /nfs/dbraw/zinc/06/94/96/1021069496.db2.gz LIAWJMDFGKYFJD-UHFFFAOYSA-N 1 2 342.782 3.876 20 0 EHADLO CCSc1nnc(SCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000073968867 1021083079 /nfs/dbraw/zinc/08/30/79/1021083079.db2.gz KHBCIDXHLUOLKP-UHFFFAOYSA-N 1 2 327.500 3.963 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nnc(C)n2C2CC2)c2ccccc2)cc1 ZINC000656659457 1021111702 /nfs/dbraw/zinc/11/17/02/1021111702.db2.gz VTEXRUWAEXHLNP-NRFANRHFSA-N 1 2 348.450 3.809 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000581610750 1021149827 /nfs/dbraw/zinc/14/98/27/1021149827.db2.gz BLEAYPHAMJNFDE-QWHCGFSZSA-N 1 2 339.361 3.600 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341242280 1021162348 /nfs/dbraw/zinc/16/23/48/1021162348.db2.gz OTNCFOBGJVURBP-SFHVURJKSA-N 1 2 349.519 3.743 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366651277 1021205077 /nfs/dbraw/zinc/20/50/77/1021205077.db2.gz HYMUSUNKXYKFLU-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO CCC1(C)C[NH+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000894841531 1021255872 /nfs/dbraw/zinc/25/58/72/1021255872.db2.gz XUUHIEBDXGGNQX-UHFFFAOYSA-N 1 2 325.250 3.639 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)c1c[nH]c2ncccc12 ZINC000341282379 1021288630 /nfs/dbraw/zinc/28/86/30/1021288630.db2.gz IKFPRHGLTPSOCV-GHMZBOCLSA-N 1 2 329.350 3.763 20 0 EHADLO Cc1ccn2c(C=C(Cc3ccccc3)c3nccc(=O)[nH]3)c[nH+]c2c1 ZINC000427286621 1021293261 /nfs/dbraw/zinc/29/32/61/1021293261.db2.gz GTRWROPOCNFQMU-LGMDPLHJSA-N 1 2 342.402 3.922 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1O ZINC000436876922 1021324759 /nfs/dbraw/zinc/32/47/59/1021324759.db2.gz CMMFRGKGVKUKIH-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CCCc1nc(C)c(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000426344689 1021334079 /nfs/dbraw/zinc/33/40/79/1021334079.db2.gz BNTLOGUJGFGLPO-SFHVURJKSA-N 1 2 327.472 3.690 20 0 EHADLO CCCc1nc(C)c(CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000426344689 1021334094 /nfs/dbraw/zinc/33/40/94/1021334094.db2.gz BNTLOGUJGFGLPO-SFHVURJKSA-N 1 2 327.472 3.690 20 0 EHADLO O=C(CCCc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341304415 1021402439 /nfs/dbraw/zinc/40/24/39/1021402439.db2.gz IFONVBBGOOUPNR-UHFFFAOYSA-N 1 2 339.483 3.925 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)C(C)(C)C3)cn2c1 ZINC000546136857 1021402756 /nfs/dbraw/zinc/40/27/56/1021402756.db2.gz VZPPKHHFCOHILQ-HNNXBMFYSA-N 1 2 345.512 3.771 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCSC[C@@H]3c3cnn(C)c3)cc2s1 ZINC000426372961 1021406820 /nfs/dbraw/zinc/40/68/20/1021406820.db2.gz RWRXLCHQQGIJRO-MRXNPFEDSA-N 1 2 344.509 3.628 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCSC[C@@H]3c3cnn(C)c3)cc2s1 ZINC000426372961 1021406822 /nfs/dbraw/zinc/40/68/22/1021406822.db2.gz RWRXLCHQQGIJRO-MRXNPFEDSA-N 1 2 344.509 3.628 20 0 EHADLO Fc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC001204568370 1021417654 /nfs/dbraw/zinc/41/76/54/1021417654.db2.gz ZYEQFMBNGZMLOL-CYBMUJFWSA-N 1 2 342.201 3.576 20 0 EHADLO Fc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC001204568370 1021417656 /nfs/dbraw/zinc/41/76/56/1021417656.db2.gz ZYEQFMBNGZMLOL-CYBMUJFWSA-N 1 2 342.201 3.576 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)c(F)c1 ZINC000048479088 1021430946 /nfs/dbraw/zinc/43/09/46/1021430946.db2.gz QTFILVMOPCWDMK-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C3OCCO3)co2)cc1 ZINC000729475361 1021475043 /nfs/dbraw/zinc/47/50/43/1021475043.db2.gz SFZUENITJGTQSZ-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C3OCCO3)co2)cc1 ZINC000729475361 1021475055 /nfs/dbraw/zinc/47/50/55/1021475055.db2.gz SFZUENITJGTQSZ-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C(C)(C)c2ccc(Cl)cc2F)n1 ZINC000516512473 1021501528 /nfs/dbraw/zinc/50/15/28/1021501528.db2.gz VWZWNMXRRANCEI-UHFFFAOYSA-N 1 2 334.782 3.512 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2ccccc21 ZINC000341356775 1021519925 /nfs/dbraw/zinc/51/99/25/1021519925.db2.gz YBYJUWQMDOXYMF-RTBURBONSA-N 1 2 331.419 3.735 20 0 EHADLO CCN(CC1CCC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684393063 1021558503 /nfs/dbraw/zinc/55/85/03/1021558503.db2.gz LLWQXHABFSEZDE-SFHVURJKSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ns1 ZINC000581704650 1021566727 /nfs/dbraw/zinc/56/67/27/1021566727.db2.gz DXZKFLBPFCGVPP-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516581955 1021568607 /nfs/dbraw/zinc/56/86/07/1021568607.db2.gz JZBKKTMVABLVKR-CYBMUJFWSA-N 1 2 325.412 3.556 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516581955 1021568616 /nfs/dbraw/zinc/56/86/16/1021568616.db2.gz JZBKKTMVABLVKR-CYBMUJFWSA-N 1 2 325.412 3.556 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccsc2Cl)C1 ZINC000449659597 1032990313 /nfs/dbraw/zinc/99/03/13/1032990313.db2.gz BNSXVGRFVVKFHG-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449659597 1032990321 /nfs/dbraw/zinc/99/03/21/1032990321.db2.gz BNSXVGRFVVKFHG-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO CCC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1 ZINC000437165555 1021619020 /nfs/dbraw/zinc/61/90/20/1021619020.db2.gz NPWOWTXHEVWOKD-UHFFFAOYSA-N 1 2 336.505 3.831 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891467689 1021700671 /nfs/dbraw/zinc/70/06/71/1021700671.db2.gz KZVMEYIEFHWCKJ-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891467689 1021700687 /nfs/dbraw/zinc/70/06/87/1021700687.db2.gz KZVMEYIEFHWCKJ-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)C[C@@H](C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891468761 1021701444 /nfs/dbraw/zinc/70/14/44/1021701444.db2.gz XFUCLDWXFFFWFR-CQSZACIVSA-N 1 2 349.434 3.681 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)C[C@@H](C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891468761 1021701458 /nfs/dbraw/zinc/70/14/58/1021701458.db2.gz XFUCLDWXFFFWFR-CQSZACIVSA-N 1 2 349.434 3.681 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000469458364 1021724796 /nfs/dbraw/zinc/72/47/96/1021724796.db2.gz DJUBVZHOERYHAH-ZDUSSCGKSA-N 1 2 335.398 3.926 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000469458364 1021724814 /nfs/dbraw/zinc/72/48/14/1021724814.db2.gz DJUBVZHOERYHAH-ZDUSSCGKSA-N 1 2 335.398 3.926 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccsc1)c1ccccc1 ZINC000440717836 1021738218 /nfs/dbraw/zinc/73/82/18/1021738218.db2.gz VTANZQKOQOIWMY-MRXNPFEDSA-N 1 2 337.448 3.740 20 0 EHADLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000519000966 1021750531 /nfs/dbraw/zinc/75/05/31/1021750531.db2.gz YURAERCYUXJEAU-UHFFFAOYSA-N 1 2 347.503 3.898 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000593696122 1033008463 /nfs/dbraw/zinc/00/84/63/1033008463.db2.gz CUIJELRGTBCUIP-AWEZNQCLSA-N 1 2 335.473 3.690 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000593696122 1033008481 /nfs/dbraw/zinc/00/84/81/1033008481.db2.gz CUIJELRGTBCUIP-AWEZNQCLSA-N 1 2 335.473 3.690 20 0 EHADLO CNc1ccccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000341426125 1021844757 /nfs/dbraw/zinc/84/47/57/1021844757.db2.gz GOUJDWAVIUEECD-UHFFFAOYSA-N 1 2 344.484 3.669 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2ccsc2S1 ZINC000519084812 1021845731 /nfs/dbraw/zinc/84/57/31/1021845731.db2.gz FVQYKWOABFDVKS-GXFFZTMASA-N 1 2 343.481 3.643 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)ccc1O ZINC000080847459 1021861235 /nfs/dbraw/zinc/86/12/35/1021861235.db2.gz PWXOSZXBUQJYOU-UHFFFAOYSA-N 1 2 345.830 3.573 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)ccc1O ZINC000080847459 1021861251 /nfs/dbraw/zinc/86/12/51/1021861251.db2.gz PWXOSZXBUQJYOU-UHFFFAOYSA-N 1 2 345.830 3.573 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000437482663 1021878339 /nfs/dbraw/zinc/87/83/39/1021878339.db2.gz DPJGZCNUUKTBLX-SAABIXHNSA-N 1 2 349.409 3.996 20 0 EHADLO COc1ccccc1C[NH+]1CCN(CCOC2CCCCCC2)CC1 ZINC000607151934 1033015756 /nfs/dbraw/zinc/01/57/56/1033015756.db2.gz XDHVLFQLJJOZAS-UHFFFAOYSA-N 1 2 346.515 3.552 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000341446627 1021924711 /nfs/dbraw/zinc/92/47/11/1021924711.db2.gz AVKHZBVTGOLQRH-GOSISDBHSA-N 1 2 349.434 3.651 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1F ZINC000437533079 1021926106 /nfs/dbraw/zinc/92/61/06/1021926106.db2.gz DZVCCNJBIAVECR-CABCVRRESA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1F ZINC000437533079 1021926114 /nfs/dbraw/zinc/92/61/14/1021926114.db2.gz DZVCCNJBIAVECR-CABCVRRESA-N 1 2 342.867 3.778 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441019507 1021932598 /nfs/dbraw/zinc/93/25/98/1021932598.db2.gz XEWSFJCFWRLTAO-OAHLLOKOSA-N 1 2 330.447 3.579 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441019507 1021932604 /nfs/dbraw/zinc/93/26/04/1021932604.db2.gz XEWSFJCFWRLTAO-OAHLLOKOSA-N 1 2 330.447 3.579 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000440105119 1021954220 /nfs/dbraw/zinc/95/42/20/1021954220.db2.gz MIWIWDHGICOPJL-INIZCTEOSA-N 1 2 347.418 3.663 20 0 EHADLO O=C(Cc1ccc(Cl)cn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339892655 1022001943 /nfs/dbraw/zinc/00/19/43/1022001943.db2.gz RKBGYNKIFPXVCL-UHFFFAOYSA-N 1 2 347.205 3.755 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000441187499 1022056005 /nfs/dbraw/zinc/05/60/05/1022056005.db2.gz HBLPJLIHIUAJDU-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000441187499 1022056018 /nfs/dbraw/zinc/05/60/18/1022056018.db2.gz HBLPJLIHIUAJDU-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440269647 1022058015 /nfs/dbraw/zinc/05/80/15/1022058015.db2.gz KFWUVGXPMWRICZ-LBPRGKRZSA-N 1 2 340.349 3.588 20 0 EHADLO CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684440810 1022066683 /nfs/dbraw/zinc/06/66/83/1022066683.db2.gz OMDPGRVTCHHQOE-UHFFFAOYSA-N 1 2 332.363 3.804 20 0 EHADLO C[C@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000506108451 1022073313 /nfs/dbraw/zinc/07/33/13/1022073313.db2.gz UTCRJDRGZSIOIK-QFIPXVFZSA-N 1 2 345.446 3.913 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(OC)no2)c1 ZINC000925315961 1033023940 /nfs/dbraw/zinc/02/39/40/1033023940.db2.gz ULUZRVJEPDJUJI-QWHCGFSZSA-N 1 2 331.416 3.519 20 0 EHADLO Cc1ccc(C[N@H+](CCCO)Cc2ccco2)c(Br)c1 ZINC000441269112 1022105197 /nfs/dbraw/zinc/10/51/97/1022105197.db2.gz SDQSLAGNJLJZSV-UHFFFAOYSA-N 1 2 338.245 3.735 20 0 EHADLO Cc1ccc(C[N@@H+](CCCO)Cc2ccco2)c(Br)c1 ZINC000441269112 1022105204 /nfs/dbraw/zinc/10/52/04/1022105204.db2.gz SDQSLAGNJLJZSV-UHFFFAOYSA-N 1 2 338.245 3.735 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnn(-c3ccccc3C)c2)cs1 ZINC000647190591 1022124741 /nfs/dbraw/zinc/12/47/41/1022124741.db2.gz FZALLEIPBLGUPK-CQSZACIVSA-N 1 2 342.468 3.634 20 0 EHADLO Cc1ncc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(C2CC2)n1 ZINC000517217708 1022139793 /nfs/dbraw/zinc/13/97/93/1022139793.db2.gz VYFMKWZTDHMYPJ-UHFFFAOYSA-N 1 2 347.422 3.529 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000151268595 1022150101 /nfs/dbraw/zinc/15/01/01/1022150101.db2.gz JUHJRYYKSRVNQM-QGZVFWFLSA-N 1 2 333.435 3.773 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)n1C ZINC000172916733 1033038410 /nfs/dbraw/zinc/03/84/10/1033038410.db2.gz GMZZVBGRAZUQOJ-INIZCTEOSA-N 1 2 330.501 3.597 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)n1C ZINC000172916733 1033038418 /nfs/dbraw/zinc/03/84/18/1033038418.db2.gz GMZZVBGRAZUQOJ-INIZCTEOSA-N 1 2 330.501 3.597 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2ncc[nH]2)cc1 ZINC000187776641 1022242854 /nfs/dbraw/zinc/24/28/54/1022242854.db2.gz LYZKHUCCFUFWKX-IBGZPJMESA-N 1 2 347.397 3.614 20 0 EHADLO COCc1c(C)cc(C)c(C[N@H+](C)Cc2ncc(Cl)n2C)c1C ZINC000894421366 1022264921 /nfs/dbraw/zinc/26/49/21/1022264921.db2.gz FKRSTOXRNDQYGE-UHFFFAOYSA-N 1 2 335.879 3.777 20 0 EHADLO COCc1c(C)cc(C)c(C[N@@H+](C)Cc2ncc(Cl)n2C)c1C ZINC000894421366 1022264928 /nfs/dbraw/zinc/26/49/28/1022264928.db2.gz FKRSTOXRNDQYGE-UHFFFAOYSA-N 1 2 335.879 3.777 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CC3CCC2CC3)c1)[NH+]1CCOCC1 ZINC000550341171 1022277026 /nfs/dbraw/zinc/27/70/26/1022277026.db2.gz IBFXPOAUSWSGLA-FLAIETJXSA-N 1 2 342.483 3.845 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nn(-c3ccccc3)c3c2CCC3)on1 ZINC000143358765 1033043777 /nfs/dbraw/zinc/04/37/77/1033043777.db2.gz MRHYANAQHHENOF-HXUWFJFHSA-N 1 2 348.450 3.995 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2nn(-c3ccccc3)c3c2CCC3)on1 ZINC000143358765 1033043787 /nfs/dbraw/zinc/04/37/87/1033043787.db2.gz MRHYANAQHHENOF-HXUWFJFHSA-N 1 2 348.450 3.995 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000276695370 1022325404 /nfs/dbraw/zinc/32/54/04/1022325404.db2.gz QOXITKKCPVPQQB-UHFFFAOYSA-N 1 2 347.462 3.624 20 0 EHADLO CCN(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548333248 1022327904 /nfs/dbraw/zinc/32/79/04/1022327904.db2.gz ABCNGXCPUGHRNT-IBGZPJMESA-N 1 2 348.450 3.583 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2F)o1 ZINC000894476104 1022366918 /nfs/dbraw/zinc/36/69/18/1022366918.db2.gz VPJQIFLAXLIQRQ-OAHLLOKOSA-N 1 2 349.402 3.919 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2F)o1 ZINC000894476104 1022366935 /nfs/dbraw/zinc/36/69/35/1022366935.db2.gz VPJQIFLAXLIQRQ-OAHLLOKOSA-N 1 2 349.402 3.919 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)sc1C ZINC000438105740 1022394536 /nfs/dbraw/zinc/39/45/36/1022394536.db2.gz CQJFDCUWNRHSCP-UHFFFAOYSA-N 1 2 344.459 3.703 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1C1CC1 ZINC000528908678 1033054126 /nfs/dbraw/zinc/05/41/26/1033054126.db2.gz WQYMCCXVTXGHQK-CJMONDIMSA-N 1 2 333.435 3.832 20 0 EHADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000528908682 1033055206 /nfs/dbraw/zinc/05/52/06/1033055206.db2.gz WQYMCCXVTXGHQK-MRFFXTKBSA-N 1 2 333.435 3.832 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000657066337 1022450825 /nfs/dbraw/zinc/45/08/25/1022450825.db2.gz TYFMRWGSARFURC-ZDUSSCGKSA-N 1 2 346.475 3.578 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)n1C ZINC000341596397 1022493969 /nfs/dbraw/zinc/49/39/69/1022493969.db2.gz WFTXDMCQXUVBDY-OAHLLOKOSA-N 1 2 336.439 3.553 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]1C1CCCC1 ZINC000891739493 1022497665 /nfs/dbraw/zinc/49/76/65/1022497665.db2.gz RCCVEKRKTZSHDB-GOSISDBHSA-N 1 2 342.487 3.546 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCCC2(CC2)C1 ZINC000891740908 1022504938 /nfs/dbraw/zinc/50/49/38/1022504938.db2.gz ZVCOVANIKKNEPO-QGZVFWFLSA-N 1 2 342.487 3.594 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827319 1022505066 /nfs/dbraw/zinc/50/50/66/1022505066.db2.gz JAGHCQUCNKGULF-LPHOPBHVSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827319 1022505078 /nfs/dbraw/zinc/50/50/78/1022505078.db2.gz JAGHCQUCNKGULF-LPHOPBHVSA-N 1 2 337.467 3.512 20 0 EHADLO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1(C)C ZINC000894556642 1022529132 /nfs/dbraw/zinc/52/91/32/1022529132.db2.gz GXZDEIIIPIBQDI-QLFBSQMISA-N 1 2 339.480 3.629 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679681393 1022529522 /nfs/dbraw/zinc/52/95/22/1022529522.db2.gz NMMNXBWORHCBAS-VIFPVBQESA-N 1 2 338.167 3.792 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679681393 1022529528 /nfs/dbraw/zinc/52/95/28/1022529528.db2.gz NMMNXBWORHCBAS-VIFPVBQESA-N 1 2 338.167 3.792 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000438287962 1022537663 /nfs/dbraw/zinc/53/76/63/1022537663.db2.gz ZBIFWWNBIYAKJP-MRXNPFEDSA-N 1 2 342.830 3.962 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000438287962 1022537671 /nfs/dbraw/zinc/53/76/71/1022537671.db2.gz ZBIFWWNBIYAKJP-MRXNPFEDSA-N 1 2 342.830 3.962 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000438287961 1022539117 /nfs/dbraw/zinc/53/91/17/1022539117.db2.gz ZBIFWWNBIYAKJP-INIZCTEOSA-N 1 2 342.830 3.962 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000438287961 1022539123 /nfs/dbraw/zinc/53/91/23/1022539123.db2.gz ZBIFWWNBIYAKJP-INIZCTEOSA-N 1 2 342.830 3.962 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528914938 1033063240 /nfs/dbraw/zinc/06/32/40/1033063240.db2.gz BSQTWHQLULKCJZ-RDJZCZTQSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528914938 1033063259 /nfs/dbraw/zinc/06/32/59/1033063259.db2.gz BSQTWHQLULKCJZ-RDJZCZTQSA-N 1 2 347.846 3.627 20 0 EHADLO CC1(C)CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000303828176 1022541751 /nfs/dbraw/zinc/54/17/51/1022541751.db2.gz GEBJPOJLDGMOEK-SFHVURJKSA-N 1 2 346.540 3.862 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cc(Cl)cc(Br)c2)s1 ZINC000894555149 1022543559 /nfs/dbraw/zinc/54/35/59/1022543559.db2.gz SLCQBKLVNRGOSY-UHFFFAOYSA-N 1 2 346.681 3.806 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000438311264 1022551016 /nfs/dbraw/zinc/55/10/16/1022551016.db2.gz FIWSSNMMOODFOZ-LJQANCHMSA-N 1 2 341.426 3.522 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1C ZINC000051335113 1022551434 /nfs/dbraw/zinc/55/14/34/1022551434.db2.gz BOWUKRNEKHSBHA-AWEZNQCLSA-N 1 2 345.418 3.749 20 0 EHADLO c1nc(N2CCC(OCC3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000579309313 1022552362 /nfs/dbraw/zinc/55/23/62/1022552362.db2.gz GHTQAYKYGMKNJC-UHFFFAOYSA-N 1 2 344.503 3.643 20 0 EHADLO c1nc(N2CCCC2)cc(N2CCC(OCC3CCCCC3)CC2)[nH+]1 ZINC000579309313 1022552369 /nfs/dbraw/zinc/55/23/69/1022552369.db2.gz GHTQAYKYGMKNJC-UHFFFAOYSA-N 1 2 344.503 3.643 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000276749023 1022581942 /nfs/dbraw/zinc/58/19/42/1022581942.db2.gz HLGFKFZCZZTKDH-JTQLQIEISA-N 1 2 343.301 3.816 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000330457692 1022587131 /nfs/dbraw/zinc/58/71/31/1022587131.db2.gz OUQMSLYWNUGBSU-SNVBAGLBSA-N 1 2 331.243 3.902 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000330457692 1022587141 /nfs/dbraw/zinc/58/71/41/1022587141.db2.gz OUQMSLYWNUGBSU-SNVBAGLBSA-N 1 2 331.243 3.902 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OCC(C)C ZINC000438368590 1022598363 /nfs/dbraw/zinc/59/83/63/1022598363.db2.gz UFCVTBQEBYBNPE-UHFFFAOYSA-N 1 2 332.469 3.745 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OCC(C)C ZINC000438368590 1022598374 /nfs/dbraw/zinc/59/83/74/1022598374.db2.gz UFCVTBQEBYBNPE-UHFFFAOYSA-N 1 2 332.469 3.745 20 0 EHADLO Fc1ccccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063176244 1033067280 /nfs/dbraw/zinc/06/72/80/1033067280.db2.gz UNHHUOLKWAWQHZ-UHFFFAOYSA-N 1 2 344.390 3.637 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000341626372 1022611720 /nfs/dbraw/zinc/61/17/20/1022611720.db2.gz ATBRLTLGJMAZBV-UHFFFAOYSA-N 1 2 340.471 3.734 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CCC1 ZINC000665001056 1022616595 /nfs/dbraw/zinc/61/65/95/1022616595.db2.gz QTHRRNSLQHFYHP-MPGHIAIKSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CCC1 ZINC000665001056 1022616597 /nfs/dbraw/zinc/61/65/97/1022616597.db2.gz QTHRRNSLQHFYHP-MPGHIAIKSA-N 1 2 341.455 3.935 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665004957 1022637838 /nfs/dbraw/zinc/63/78/38/1022637838.db2.gz BLTHGGDAUXBZQP-AWFGMNBXSA-N 1 2 325.412 3.621 20 0 EHADLO C/C=C/C=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665004957 1022637849 /nfs/dbraw/zinc/63/78/49/1022637849.db2.gz BLTHGGDAUXBZQP-AWFGMNBXSA-N 1 2 325.412 3.621 20 0 EHADLO C/C(=C\c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665005180 1022656979 /nfs/dbraw/zinc/65/69/79/1022656979.db2.gz LJJGYODPZPVACN-DJDSVLOFSA-N 1 2 339.439 3.845 20 0 EHADLO C/C(=C\c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665005180 1022656988 /nfs/dbraw/zinc/65/69/88/1022656988.db2.gz LJJGYODPZPVACN-DJDSVLOFSA-N 1 2 339.439 3.845 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000517796537 1022678246 /nfs/dbraw/zinc/67/82/46/1022678246.db2.gz OFMFQKABPVYJAV-KRWDZBQOSA-N 1 2 343.471 3.679 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1Cl ZINC000052993895 1022699726 /nfs/dbraw/zinc/69/97/26/1022699726.db2.gz UIXNWVYEWHJDOE-UHFFFAOYSA-N 1 2 348.830 3.853 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1Cl ZINC000052993895 1022699741 /nfs/dbraw/zinc/69/97/41/1022699741.db2.gz UIXNWVYEWHJDOE-UHFFFAOYSA-N 1 2 348.830 3.853 20 0 EHADLO CCC/C=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011727 1022702528 /nfs/dbraw/zinc/70/25/28/1022702528.db2.gz GLDUFOUOSFOUSZ-JMVVGZTDSA-N 1 2 327.428 3.845 20 0 EHADLO CCC/C=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011727 1022702539 /nfs/dbraw/zinc/70/25/39/1022702539.db2.gz GLDUFOUOSFOUSZ-JMVVGZTDSA-N 1 2 327.428 3.845 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579569 1022703813 /nfs/dbraw/zinc/70/38/13/1022703813.db2.gz OMJLKSPSZRGOQM-KGLIPLIRSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579569 1022703822 /nfs/dbraw/zinc/70/38/22/1022703822.db2.gz OMJLKSPSZRGOQM-KGLIPLIRSA-N 1 2 335.473 3.825 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2ncc[nH]2)c1)c1ccccc1Cl ZINC000607288116 1033074483 /nfs/dbraw/zinc/07/44/83/1033074483.db2.gz RUNUONJZOHTQBL-UHFFFAOYSA-N 1 2 340.814 3.605 20 0 EHADLO OC[C@@]1([NH2+]Cc2ncc(-c3cccs3)o2)CCCc2ccccc21 ZINC000440467028 1022721067 /nfs/dbraw/zinc/72/10/67/1022721067.db2.gz LHMHWUQPWQBWJF-IBGZPJMESA-N 1 2 340.448 3.717 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699020 1022754380 /nfs/dbraw/zinc/75/43/80/1022754380.db2.gz DWRPPAOTBZGDDP-JHJVBQTASA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699020 1022754389 /nfs/dbraw/zinc/75/43/89/1022754389.db2.gz DWRPPAOTBZGDDP-JHJVBQTASA-N 1 2 334.407 3.677 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]4CCC[C@H]43)n2)C1 ZINC000426065382 1022814234 /nfs/dbraw/zinc/81/42/34/1022814234.db2.gz AYEXBHXFBSQLDN-IIAWOOMASA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]4CCC[C@H]43)n2)C1 ZINC000426065382 1022814248 /nfs/dbraw/zinc/81/42/48/1022814248.db2.gz AYEXBHXFBSQLDN-IIAWOOMASA-N 1 2 348.516 3.781 20 0 EHADLO CCCCc1noc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000430914199 1022866225 /nfs/dbraw/zinc/86/62/25/1022866225.db2.gz IHMGNEMLAHTJNL-GOSISDBHSA-N 1 2 343.471 3.636 20 0 EHADLO CCCCc1noc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000430914199 1022866245 /nfs/dbraw/zinc/86/62/45/1022866245.db2.gz IHMGNEMLAHTJNL-GOSISDBHSA-N 1 2 343.471 3.636 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1F ZINC000519575798 1022887497 /nfs/dbraw/zinc/88/74/97/1022887497.db2.gz NQOCWGODWKVYMI-LJQANCHMSA-N 1 2 339.414 3.837 20 0 EHADLO COc1ccc([C@@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699162 1022908853 /nfs/dbraw/zinc/90/88/53/1022908853.db2.gz VEAJZIZNQUGNMR-KUHUBIRLSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc([C@@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(OC)c1 ZINC000366699162 1022908861 /nfs/dbraw/zinc/90/88/61/1022908861.db2.gz VEAJZIZNQUGNMR-KUHUBIRLSA-N 1 2 326.440 3.541 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189060177 1022942051 /nfs/dbraw/zinc/94/20/51/1022942051.db2.gz ASTFWPDXXJIGBE-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189060177 1022942063 /nfs/dbraw/zinc/94/20/63/1022942063.db2.gz ASTFWPDXXJIGBE-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933767919 1022958437 /nfs/dbraw/zinc/95/84/37/1022958437.db2.gz OFSKNGGTIWQQKH-YLJYHZDGSA-N 1 2 347.462 3.932 20 0 EHADLO COc1ccc(CC(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000189129638 1022961878 /nfs/dbraw/zinc/96/18/78/1022961878.db2.gz QTLSFZCKRVRVFK-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO COc1ccc(CC(C)(C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189130927 1022963254 /nfs/dbraw/zinc/96/32/54/1022963254.db2.gz XYAGXHNKYKRQLV-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000426732635 1023001713 /nfs/dbraw/zinc/00/17/13/1023001713.db2.gz JFRDGUBXBSSDFI-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO CC[C@@H](C)n1ncc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C1CC1 ZINC000089790799 1023017272 /nfs/dbraw/zinc/01/72/72/1023017272.db2.gz QHJQMJTZUUZMOQ-CYBMUJFWSA-N 1 2 337.427 3.940 20 0 EHADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(CCC2CCCCC2)oc1=S ZINC000176094617 1023021991 /nfs/dbraw/zinc/02/19/91/1023021991.db2.gz PBSUWVJVWSUSAQ-HNNXBMFYSA-N 1 2 339.505 3.644 20 0 EHADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(CCC2CCCCC2)oc1=S ZINC000176094617 1023022003 /nfs/dbraw/zinc/02/20/03/1023022003.db2.gz PBSUWVJVWSUSAQ-HNNXBMFYSA-N 1 2 339.505 3.644 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccccc1C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000426175151 1023041486 /nfs/dbraw/zinc/04/14/86/1023041486.db2.gz RHKDYQCYFIZYEB-SJLPKXTDSA-N 1 2 332.488 3.662 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccccc1C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000426175151 1023041500 /nfs/dbraw/zinc/04/15/00/1023041500.db2.gz RHKDYQCYFIZYEB-SJLPKXTDSA-N 1 2 332.488 3.662 20 0 EHADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000520470592 1023068162 /nfs/dbraw/zinc/06/81/62/1023068162.db2.gz BUFMQXRNFRGAGK-BLLLJJGKSA-N 1 2 337.345 3.512 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)c2cccnc2)c(C)c1 ZINC000441477362 1023114304 /nfs/dbraw/zinc/11/43/04/1023114304.db2.gz BRAOFRQMTJOKDS-FXAWDEMLSA-N 1 2 348.450 3.556 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000438946779 1023164454 /nfs/dbraw/zinc/16/44/54/1023164454.db2.gz KSXORQJFHWATSG-CTNGQTDRSA-N 1 2 329.403 3.715 20 0 EHADLO COc1ccc(F)c(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000507188161 1023170395 /nfs/dbraw/zinc/17/03/95/1023170395.db2.gz NTQJENNPIMEUBJ-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO COc1ccc(F)c(C[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000507188161 1023170400 /nfs/dbraw/zinc/17/04/00/1023170400.db2.gz NTQJENNPIMEUBJ-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507190098 1023181689 /nfs/dbraw/zinc/18/16/89/1023181689.db2.gz KWYNJSKWJFEHCU-LLVKDONJSA-N 1 2 332.350 3.603 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507190098 1023181697 /nfs/dbraw/zinc/18/16/97/1023181697.db2.gz KWYNJSKWJFEHCU-LLVKDONJSA-N 1 2 332.350 3.603 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507212465 1023190162 /nfs/dbraw/zinc/19/01/62/1023190162.db2.gz AXKUGTAPYSBWMD-XJKSGUPXSA-N 1 2 329.444 3.674 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507212465 1023190167 /nfs/dbraw/zinc/19/01/67/1023190167.db2.gz AXKUGTAPYSBWMD-XJKSGUPXSA-N 1 2 329.444 3.674 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000295235909 1023194985 /nfs/dbraw/zinc/19/49/85/1023194985.db2.gz UFQBZTIVYHRBBJ-MRXNPFEDSA-N 1 2 331.485 3.655 20 0 EHADLO C[C@H](C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)[NH+]1CCSCC1 ZINC000131057302 1023213996 /nfs/dbraw/zinc/21/39/96/1023213996.db2.gz VUOGVHVPPDUFMK-GFCCVEGCSA-N 1 2 347.484 3.501 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000427104306 1023217945 /nfs/dbraw/zinc/21/79/45/1023217945.db2.gz MXSZJICMWILYEF-UHFFFAOYSA-N 1 2 343.446 3.773 20 0 EHADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000639060750 1023221836 /nfs/dbraw/zinc/22/18/36/1023221836.db2.gz QYASSRMILBFPIX-BEFAXECRSA-N 1 2 337.423 3.911 20 0 EHADLO Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1c[nH+]c(C)cc1C)CCC2 ZINC000459079252 1023241744 /nfs/dbraw/zinc/24/17/44/1023241744.db2.gz OYKHKGCISYMLLM-INIZCTEOSA-N 1 2 344.484 3.682 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC12CCCCC2 ZINC000180312147 1023267071 /nfs/dbraw/zinc/26/70/71/1023267071.db2.gz UURQZUIZLPDZKD-KRWDZBQOSA-N 1 2 342.418 3.533 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(C(C)(C)c4ccc(C)cn4)no3)ccn12 ZINC000665084473 1023269332 /nfs/dbraw/zinc/26/93/32/1023269332.db2.gz FRRSPUJXCRLYFX-UHFFFAOYSA-N 1 2 333.395 3.722 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000469430364 1023280682 /nfs/dbraw/zinc/28/06/82/1023280682.db2.gz PWWAJADFLXUQHW-LSDHHAIUSA-N 1 2 335.517 3.715 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)ccn12 ZINC000518394628 1023282355 /nfs/dbraw/zinc/28/23/55/1023282355.db2.gz VTXQPSRGQSOSOJ-YJBOKZPZSA-N 1 2 333.435 3.969 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(Cl)o2)c(C)c1 ZINC000441498483 1023283161 /nfs/dbraw/zinc/28/31/61/1023283161.db2.gz LXFLUMLJNBIUMG-OAHLLOKOSA-N 1 2 343.814 3.918 20 0 EHADLO C[C@@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554921 1023290339 /nfs/dbraw/zinc/29/03/39/1023290339.db2.gz CTMKTCNDUOSDHU-SJKOYZFVSA-N 1 2 346.272 3.681 20 0 EHADLO C[C@@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554921 1023290344 /nfs/dbraw/zinc/29/03/44/1023290344.db2.gz CTMKTCNDUOSDHU-SJKOYZFVSA-N 1 2 346.272 3.681 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2[nH+]1 ZINC000341771305 1023299800 /nfs/dbraw/zinc/29/98/00/1023299800.db2.gz SGSADSUFAITCQE-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000602740471 1033128798 /nfs/dbraw/zinc/12/87/98/1033128798.db2.gz HCBNRQDACXZSLD-UHFFFAOYSA-N 1 2 345.729 3.611 20 0 EHADLO O=S(=O)(CCNc1cc[nH+]c2c(Cl)cccc12)c1ccccc1 ZINC000341846904 1023452969 /nfs/dbraw/zinc/45/29/69/1023452969.db2.gz LICDJXJERAUMDQ-UHFFFAOYSA-N 1 2 346.839 3.774 20 0 EHADLO COc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1F ZINC000341875152 1023508165 /nfs/dbraw/zinc/50/81/65/1023508165.db2.gz NIRAEUSGKVNKGI-HNNXBMFYSA-N 1 2 339.370 3.718 20 0 EHADLO CCc1nc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2o1 ZINC000341921144 1023698542 /nfs/dbraw/zinc/69/85/42/1023698542.db2.gz FOKHHZAQVMXGHJ-UHFFFAOYSA-N 1 2 346.390 3.887 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cs1 ZINC000341999114 1023748699 /nfs/dbraw/zinc/74/86/99/1023748699.db2.gz JJDITXLQUOFDQX-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)O[C@@H](C)C2 ZINC000535825426 1023799246 /nfs/dbraw/zinc/79/92/46/1023799246.db2.gz CYYTXXRYVAECSN-UGSOOPFHSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccs3)C1)O[C@@H](C)C2 ZINC000535825426 1023799250 /nfs/dbraw/zinc/79/92/50/1023799250.db2.gz CYYTXXRYVAECSN-UGSOOPFHSA-N 1 2 345.464 3.654 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000574485190 1033169159 /nfs/dbraw/zinc/16/91/59/1033169159.db2.gz HMMFNISTNUNHHQ-INIZCTEOSA-N 1 2 336.439 3.777 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000574485190 1033169167 /nfs/dbraw/zinc/16/91/67/1033169167.db2.gz HMMFNISTNUNHHQ-INIZCTEOSA-N 1 2 336.439 3.777 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2oc(-c3ccccc3)nc2C)CCCC1 ZINC000602796437 1033169857 /nfs/dbraw/zinc/16/98/57/1033169857.db2.gz OCIQDOBYMUUSFR-UHFFFAOYSA-N 1 2 328.412 3.568 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2oc(-c3ccccc3)nc2C)CCCC1 ZINC000602796437 1033169860 /nfs/dbraw/zinc/16/98/60/1033169860.db2.gz OCIQDOBYMUUSFR-UHFFFAOYSA-N 1 2 328.412 3.568 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(Br)cs2)[nH]1 ZINC000277157375 1023893401 /nfs/dbraw/zinc/89/34/01/1023893401.db2.gz GLLBNCSBSDAASV-IUCAKERBSA-N 1 2 343.294 3.993 20 0 EHADLO CCc1cccc(C)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469024 1033174932 /nfs/dbraw/zinc/17/49/32/1033174932.db2.gz KEDWDDZLDWHOJA-INIZCTEOSA-N 1 2 328.460 3.990 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000192247880 1023959506 /nfs/dbraw/zinc/95/95/06/1023959506.db2.gz RREJLDWTJOGGOR-UHFFFAOYSA-N 1 2 342.418 3.618 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000192257706 1023962967 /nfs/dbraw/zinc/96/29/67/1023962967.db2.gz CGDHSPLWQJTBHX-IXDOHACOSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1ccc(F)c(C(=O)N2CCCCC2)c1 ZINC001211868045 1023996298 /nfs/dbraw/zinc/99/62/98/1023996298.db2.gz DXHKLDHOSLNOIX-UHFFFAOYSA-N 1 2 329.375 3.604 20 0 EHADLO Cc1cc(C)c(NC(=O)CSc2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000520507156 1024021349 /nfs/dbraw/zinc/02/13/49/1024021349.db2.gz GRWRFOQYZKXDQI-UHFFFAOYSA-N 1 2 344.436 3.509 20 0 EHADLO Cc1noc(C[C@H]2CCCN(c3[nH+]ccc4cc(F)ccc43)C2)n1 ZINC000896847475 1024036541 /nfs/dbraw/zinc/03/65/41/1024036541.db2.gz UZSXPURHBOQMPN-CYBMUJFWSA-N 1 2 326.375 3.524 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999285 1024040650 /nfs/dbraw/zinc/04/06/50/1024040650.db2.gz LHOMUEPILBFQJP-IAGOWNOFSA-N 1 2 332.875 3.783 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c(C)c1 ZINC000513999347 1024041282 /nfs/dbraw/zinc/04/12/82/1024041282.db2.gz LUNLXBYTXGJRKA-GOSISDBHSA-N 1 2 328.843 3.744 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000443850799 1024051963 /nfs/dbraw/zinc/05/19/63/1024051963.db2.gz GRBCZZJQHOREIX-SFHVURJKSA-N 1 2 333.863 3.741 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000443850799 1024051979 /nfs/dbraw/zinc/05/19/79/1024051979.db2.gz GRBCZZJQHOREIX-SFHVURJKSA-N 1 2 333.863 3.741 20 0 EHADLO FC1(c2ccccc2)CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000434491753 1024080040 /nfs/dbraw/zinc/08/00/40/1024080040.db2.gz DKQSIWMVTLPYHY-UHFFFAOYSA-N 1 2 336.414 3.728 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258927 1024117474 /nfs/dbraw/zinc/11/74/74/1024117474.db2.gz XJNZYXYKSRQZCH-UHFFFAOYSA-N 1 2 331.375 3.788 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c[nH+]1 ZINC000895254776 1024129868 /nfs/dbraw/zinc/12/98/68/1024129868.db2.gz HTVBSHYHUSVBSP-SAZUREKKSA-N 1 2 345.393 3.722 20 0 EHADLO C[C@@H](C1CCC1)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547244 1024134653 /nfs/dbraw/zinc/13/46/53/1024134653.db2.gz AFIXVQWHXIREFF-AWEZNQCLSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@@H](C1CCC1)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547244 1024134665 /nfs/dbraw/zinc/13/46/65/1024134665.db2.gz AFIXVQWHXIREFF-AWEZNQCLSA-N 1 2 349.906 3.528 20 0 EHADLO CCn1nc(C(C)C)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342117457 1024146529 /nfs/dbraw/zinc/14/65/29/1024146529.db2.gz BCAOOXDQWIUOQA-UHFFFAOYSA-N 1 2 341.390 3.604 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC3(CCC3)c3c2cccc3F)c[nH+]1 ZINC000459113955 1024179766 /nfs/dbraw/zinc/17/97/66/1024179766.db2.gz IAKZSMVPWDGXOQ-UHFFFAOYSA-N 1 2 339.414 3.989 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3=CCCC3)n2)C1 ZINC000664428892 1024187409 /nfs/dbraw/zinc/18/74/09/1024187409.db2.gz JMJDEMVUWFZLIJ-ZDUSSCGKSA-N 1 2 334.489 3.607 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3=CCCC3)n2)C1 ZINC000664428892 1024187418 /nfs/dbraw/zinc/18/74/18/1024187418.db2.gz JMJDEMVUWFZLIJ-ZDUSSCGKSA-N 1 2 334.489 3.607 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000434619876 1024208460 /nfs/dbraw/zinc/20/84/60/1024208460.db2.gz HBNFRIQVNPJHOZ-INIZCTEOSA-N 1 2 326.366 3.511 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000434619876 1024208473 /nfs/dbraw/zinc/20/84/73/1024208473.db2.gz HBNFRIQVNPJHOZ-INIZCTEOSA-N 1 2 326.366 3.511 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(Br)cs1 ZINC000342140580 1024221732 /nfs/dbraw/zinc/22/17/32/1024221732.db2.gz RIIJUXAQQHHORU-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC000443619641 1024250367 /nfs/dbraw/zinc/25/03/67/1024250367.db2.gz BQKHXVITNOYBND-UHFFFAOYSA-N 1 2 342.405 3.739 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505468188 1024291245 /nfs/dbraw/zinc/29/12/45/1024291245.db2.gz JCVCJTSDTMABFQ-JXFKEZNVSA-N 1 2 340.442 3.801 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428075 1024297245 /nfs/dbraw/zinc/29/72/45/1024297245.db2.gz WPZOTPPSNGYQJL-OAHLLOKOSA-N 1 2 345.512 3.986 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428075 1024297254 /nfs/dbraw/zinc/29/72/54/1024297254.db2.gz WPZOTPPSNGYQJL-OAHLLOKOSA-N 1 2 345.512 3.986 20 0 EHADLO CC[N@H+](CCc1nccs1)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000343310266 1024306133 /nfs/dbraw/zinc/30/61/33/1024306133.db2.gz NBTBJXNPJWMFHP-HNNXBMFYSA-N 1 2 338.860 3.575 20 0 EHADLO CC[N@@H+](CCc1nccs1)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000343310266 1024306147 /nfs/dbraw/zinc/30/61/47/1024306147.db2.gz NBTBJXNPJWMFHP-HNNXBMFYSA-N 1 2 338.860 3.575 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000505476301 1024317375 /nfs/dbraw/zinc/31/73/75/1024317375.db2.gz KDNJVSGSEJBRMQ-FQEVSTJZSA-N 1 2 340.442 3.548 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3cccc4ccccc43)CCCC2)no1 ZINC000101550490 1024334052 /nfs/dbraw/zinc/33/40/52/1024334052.db2.gz GPHWTYDSQFNPTB-UHFFFAOYSA-N 1 2 337.423 3.969 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H](CC1CC1)c1ccccc1 ZINC000608436597 1024338502 /nfs/dbraw/zinc/33/85/02/1024338502.db2.gz NFZSNHCOWYXKOO-SFHVURJKSA-N 1 2 338.455 3.724 20 0 EHADLO COC(=O)c1c(F)ccc(-c2cc(F)c(C[NH+](C)C)c(F)c2)c1F ZINC001204754442 1024339177 /nfs/dbraw/zinc/33/91/77/1024339177.db2.gz KWEWMLUYGKKCHN-UHFFFAOYSA-N 1 2 341.304 3.758 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425158653 1024347578 /nfs/dbraw/zinc/34/75/78/1024347578.db2.gz QXCGYMLMGYROBL-QZTJIDSGSA-N 1 2 325.456 3.969 20 0 EHADLO C[C@H]1CCCC[C@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000520656028 1024355545 /nfs/dbraw/zinc/35/55/45/1024355545.db2.gz DMJYQEQLWPDJEG-DOTOQJQBSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cccc1 ZINC000533841538 1024356303 /nfs/dbraw/zinc/35/63/03/1024356303.db2.gz JNKFYMXANVQNLJ-INIZCTEOSA-N 1 2 346.434 3.993 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c1Br ZINC000430096667 1024361738 /nfs/dbraw/zinc/36/17/38/1024361738.db2.gz AUCFMKDOXHOJGG-CQSZACIVSA-N 1 2 326.282 3.502 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c1Br ZINC000430096667 1024361755 /nfs/dbraw/zinc/36/17/55/1024361755.db2.gz AUCFMKDOXHOJGG-CQSZACIVSA-N 1 2 326.282 3.502 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)c1)O[C@@H](C)C2 ZINC000430103534 1024368645 /nfs/dbraw/zinc/36/86/45/1024368645.db2.gz ZJNIXDIHDHAVKB-XOBRGWDASA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(c(C[N@H+]3CC(C)(C)[C@@H]3c3cccnc3)c1)O[C@@H](C)C2 ZINC000430103534 1024368662 /nfs/dbraw/zinc/36/86/62/1024368662.db2.gz ZJNIXDIHDHAVKB-XOBRGWDASA-N 1 2 338.451 3.997 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000113574583 1024369487 /nfs/dbraw/zinc/36/94/87/1024369487.db2.gz ASESCDGMDYHXKH-MRXNPFEDSA-N 1 2 334.851 3.575 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)o1 ZINC000520666526 1024384712 /nfs/dbraw/zinc/38/47/12/1024384712.db2.gz CSRGYPDAHUYIRS-KXBFYZLASA-N 1 2 349.434 3.507 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608205989 1024385243 /nfs/dbraw/zinc/38/52/43/1024385243.db2.gz NJSBUQCHNPTGGR-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO CN(CCc1cccs1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425185954 1024421105 /nfs/dbraw/zinc/42/11/05/1024421105.db2.gz MQHVJCLUHGXSNT-KRWDZBQOSA-N 1 2 339.464 3.694 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000505543683 1024455291 /nfs/dbraw/zinc/45/52/91/1024455291.db2.gz UTMDZGFXJQYHKU-VEBBDIFPSA-N 1 2 349.478 3.781 20 0 EHADLO Cc1nc([C@@H]2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)no1 ZINC000895401406 1024468903 /nfs/dbraw/zinc/46/89/03/1024468903.db2.gz QWAGTJKUHKLKQE-GFCCVEGCSA-N 1 2 348.328 3.939 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](c1cccnc1)C1CC1 ZINC000425224296 1024469332 /nfs/dbraw/zinc/46/93/32/1024469332.db2.gz KVUCXFGZQFBVDV-QUCCMNQESA-N 1 2 346.434 3.594 20 0 EHADLO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505552108 1024470815 /nfs/dbraw/zinc/47/08/15/1024470815.db2.gz WIISBSHMEKBDKO-QRVBRYPASA-N 1 2 330.447 3.515 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC(C)(C)C1 ZINC000425244602 1024502340 /nfs/dbraw/zinc/50/23/40/1024502340.db2.gz SEMTWLMINCLWMW-DOTOQJQBSA-N 1 2 325.456 3.826 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000505574619 1024517088 /nfs/dbraw/zinc/51/70/88/1024517088.db2.gz ZBYOSFVFQUUEKM-YOXWTLATSA-N 1 2 349.478 3.781 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280989515 1024531973 /nfs/dbraw/zinc/53/19/73/1024531973.db2.gz QIBIJFOBTCXRBU-UHFFFAOYSA-N 1 2 334.423 3.595 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ncc(Br)s1)c1nccs1 ZINC000346249668 1024569339 /nfs/dbraw/zinc/56/93/39/1024569339.db2.gz IZFMHTWZEAUQHI-QMMMGPOBSA-N 1 2 332.292 3.598 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ncc(Br)s1)c1nccs1 ZINC000346249668 1024569345 /nfs/dbraw/zinc/56/93/45/1024569345.db2.gz IZFMHTWZEAUQHI-QMMMGPOBSA-N 1 2 332.292 3.598 20 0 EHADLO CCCCCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000084578677 1024569383 /nfs/dbraw/zinc/56/93/83/1024569383.db2.gz RUYHWLGLKZFEJJ-UHFFFAOYSA-N 1 2 346.515 3.742 20 0 EHADLO c1cnn(C2CC(Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)c1 ZINC000639122336 1024578664 /nfs/dbraw/zinc/57/86/64/1024578664.db2.gz DXGDNTFCOXJGCO-UHFFFAOYSA-N 1 2 333.439 3.899 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[nH]1 ZINC000277318377 1024579022 /nfs/dbraw/zinc/57/90/22/1024579022.db2.gz SWTOFJAJPRUDGV-CHWSQXEVSA-N 1 2 344.459 3.814 20 0 EHADLO CC(=O)c1cc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211884136 1024588547 /nfs/dbraw/zinc/58/85/47/1024588547.db2.gz DWLJTXKXHOUUNE-DLBZAZTESA-N 1 2 348.406 3.890 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514610964 1024603527 /nfs/dbraw/zinc/60/35/27/1024603527.db2.gz FCEZTOLNVBWFSW-MRXNPFEDSA-N 1 2 339.439 3.748 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514610963 1024604180 /nfs/dbraw/zinc/60/41/80/1024604180.db2.gz FCEZTOLNVBWFSW-INIZCTEOSA-N 1 2 339.439 3.748 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000346289108 1024607207 /nfs/dbraw/zinc/60/72/07/1024607207.db2.gz RVRXGOCEBWAEMT-GOSISDBHSA-N 1 2 343.496 3.817 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc2c(c1)CCCC2 ZINC000474236817 1024616327 /nfs/dbraw/zinc/61/63/27/1024616327.db2.gz XVWPNLBVVXNJSC-HNNXBMFYSA-N 1 2 348.450 3.774 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(C3CCC3)c2)[C@H](C)CO1 ZINC000892098486 1024675974 /nfs/dbraw/zinc/67/59/74/1024675974.db2.gz FFVICIYPEDSKQY-OXQOHEQNSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)[C@H](C)CO1 ZINC000892098486 1024675977 /nfs/dbraw/zinc/67/59/77/1024675977.db2.gz FFVICIYPEDSKQY-OXQOHEQNSA-N 1 2 325.456 3.879 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346388652 1024676553 /nfs/dbraw/zinc/67/65/53/1024676553.db2.gz WWCWKPMCHATVSA-DOMZBBRYSA-N 1 2 331.847 3.573 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000514698517 1024679550 /nfs/dbraw/zinc/67/95/50/1024679550.db2.gz UNGRWKHVWPAAQS-UHFFFAOYSA-N 1 2 346.390 3.640 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474289998 1024699100 /nfs/dbraw/zinc/69/91/00/1024699100.db2.gz NWIFSMJJWKFSEG-MJGOQNOKSA-N 1 2 330.472 3.674 20 0 EHADLO COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)o1 ZINC000895692792 1024727020 /nfs/dbraw/zinc/72/70/20/1024727020.db2.gz WNABIBKHPWKBBQ-AZYPZBHUSA-N 1 2 329.371 3.581 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)cs1 ZINC000449790204 1033231346 /nfs/dbraw/zinc/23/13/46/1033231346.db2.gz KCGIZICMOJGUTB-INIZCTEOSA-N 1 2 335.517 3.917 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC3(CCCC3)[C@@H]2C(C)C)cs1 ZINC000449790204 1033231359 /nfs/dbraw/zinc/23/13/59/1033231359.db2.gz KCGIZICMOJGUTB-INIZCTEOSA-N 1 2 335.517 3.917 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000425311848 1024729893 /nfs/dbraw/zinc/72/98/93/1024729893.db2.gz GAFZJUKDCSLBDQ-PKOBYXMFSA-N 1 2 335.451 3.723 20 0 EHADLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000425319579 1024748341 /nfs/dbraw/zinc/74/83/41/1024748341.db2.gz DDNRAHGUEQYAQL-UHFFFAOYSA-N 1 2 332.879 3.748 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346503719 1024782602 /nfs/dbraw/zinc/78/26/02/1024782602.db2.gz WAGNBUGDZGNJAZ-IBGZPJMESA-N 1 2 336.414 3.561 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000508008692 1024828453 /nfs/dbraw/zinc/82/84/53/1024828453.db2.gz FMAVAYRRBCIZDI-UHFFFAOYSA-N 1 2 333.435 3.905 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC000425349379 1024831115 /nfs/dbraw/zinc/83/11/15/1024831115.db2.gz QFHJQIVPPSHSIP-FQEVSTJZSA-N 1 2 342.439 3.895 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC000425349379 1024831131 /nfs/dbraw/zinc/83/11/31/1024831131.db2.gz QFHJQIVPPSHSIP-FQEVSTJZSA-N 1 2 342.439 3.895 20 0 EHADLO Cc1ccc(F)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1F ZINC000346540224 1024847757 /nfs/dbraw/zinc/84/77/57/1024847757.db2.gz WIDPXBVHBKLXTK-UHFFFAOYSA-N 1 2 345.324 3.528 20 0 EHADLO Cc1ccc2c(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)csc2c1 ZINC000281283743 1024848818 /nfs/dbraw/zinc/84/88/18/1024848818.db2.gz XROCEITZLVCNDD-UHFFFAOYSA-N 1 2 343.477 3.906 20 0 EHADLO Cc1ccc2c(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)csc2c1 ZINC000281283743 1024848830 /nfs/dbraw/zinc/84/88/30/1024848830.db2.gz XROCEITZLVCNDD-UHFFFAOYSA-N 1 2 343.477 3.906 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958818 1024858556 /nfs/dbraw/zinc/85/85/56/1024858556.db2.gz KVLJQUBNIBBFRM-MOPGFXCFSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958818 1024858571 /nfs/dbraw/zinc/85/85/71/1024858571.db2.gz KVLJQUBNIBBFRM-MOPGFXCFSA-N 1 2 342.487 3.683 20 0 EHADLO COC(=O)c1cc(CSCc2[nH+]cc(C)c(OC)c2C)oc1C ZINC000346567630 1024873520 /nfs/dbraw/zinc/87/35/20/1024873520.db2.gz NPSAQPGMQHQHMV-UHFFFAOYSA-N 1 2 335.425 3.828 20 0 EHADLO CCOc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)c(C)c1 ZINC000105010066 1024874440 /nfs/dbraw/zinc/87/44/40/1024874440.db2.gz XXTONQANDXPCSU-UHFFFAOYSA-N 1 2 342.443 3.803 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C(C)C)C3)cn2c1 ZINC000474398310 1024896608 /nfs/dbraw/zinc/89/66/08/1024896608.db2.gz USDZDWVDKZSQIZ-INIZCTEOSA-N 1 2 345.512 3.771 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000346557724 1024899002 /nfs/dbraw/zinc/89/90/02/1024899002.db2.gz YQGNGSAXEPGGHZ-YYIAUSFCSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000346557724 1024899012 /nfs/dbraw/zinc/89/90/12/1024899012.db2.gz YQGNGSAXEPGGHZ-YYIAUSFCSA-N 1 2 340.467 3.515 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000015546937 1024911065 /nfs/dbraw/zinc/91/10/65/1024911065.db2.gz BJRIMKLKYJHHQA-MRXNPFEDSA-N 1 2 330.453 3.705 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000015546937 1024911071 /nfs/dbraw/zinc/91/10/71/1024911071.db2.gz BJRIMKLKYJHHQA-MRXNPFEDSA-N 1 2 330.453 3.705 20 0 EHADLO Cc1ccccc1CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000342333116 1024925565 /nfs/dbraw/zinc/92/55/65/1024925565.db2.gz IBLWYRVOOXMERI-UHFFFAOYSA-N 1 2 331.419 3.986 20 0 EHADLO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000157509232 1024930407 /nfs/dbraw/zinc/93/04/07/1024930407.db2.gz QQBLSAMUBXESHY-HNNXBMFYSA-N 1 2 346.862 3.661 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009066 1024936463 /nfs/dbraw/zinc/93/64/63/1024936463.db2.gz SBNFLLVYVLMMQH-QAPCUYQASA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccsc2)O1 ZINC000892139829 1024978936 /nfs/dbraw/zinc/97/89/36/1024978936.db2.gz FGSMYQGVTQSMSE-NHYWBVRUSA-N 1 2 330.409 3.557 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccsc2)O1 ZINC000892139829 1024978946 /nfs/dbraw/zinc/97/89/46/1024978946.db2.gz FGSMYQGVTQSMSE-NHYWBVRUSA-N 1 2 330.409 3.557 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2ccn(C(F)F)n2)c2ccc(F)cc2O1 ZINC000346681659 1024987944 /nfs/dbraw/zinc/98/79/44/1024987944.db2.gz YYBREUWTMJLQSJ-CYBMUJFWSA-N 1 2 325.334 3.809 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653856 1024988407 /nfs/dbraw/zinc/98/84/07/1024988407.db2.gz QQWZICBOURGZTA-OALUTQOASA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653856 1024988411 /nfs/dbraw/zinc/98/84/11/1024988411.db2.gz QQWZICBOURGZTA-OALUTQOASA-N 1 2 344.405 3.807 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC001167526422 1025015029 /nfs/dbraw/zinc/01/50/29/1025015029.db2.gz YMFFXSUEPLHKPH-CQSZACIVSA-N 1 2 344.421 3.887 20 0 EHADLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)s1 ZINC000151945617 1025017568 /nfs/dbraw/zinc/01/75/68/1025017568.db2.gz UJFUKGWQLBNUMQ-UHFFFAOYSA-N 1 2 344.461 3.847 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cncc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000639366730 1025042098 /nfs/dbraw/zinc/04/20/98/1025042098.db2.gz MTHRLRCIULRQCI-IAGOWNOFSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cncc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000639366730 1025042110 /nfs/dbraw/zinc/04/21/10/1025042110.db2.gz MTHRLRCIULRQCI-IAGOWNOFSA-N 1 2 347.256 3.542 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4C[C@@]4(F)c4ccccc4)n3)[nH+]c12 ZINC000515146093 1025044598 /nfs/dbraw/zinc/04/45/98/1025044598.db2.gz FRGMGUMWHCIUKY-OXJNMPFZSA-N 1 2 348.381 3.969 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)Cc2cc(Br)cn2C)o1 ZINC000428205772 1025046503 /nfs/dbraw/zinc/04/65/03/1025046503.db2.gz LSQDCQKNJLKCLA-UHFFFAOYSA-N 1 2 340.265 3.669 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)Cc2cc(Br)cn2C)o1 ZINC000428205772 1025046514 /nfs/dbraw/zinc/04/65/14/1025046514.db2.gz LSQDCQKNJLKCLA-UHFFFAOYSA-N 1 2 340.265 3.669 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000428223212 1025058424 /nfs/dbraw/zinc/05/84/24/1025058424.db2.gz JMCXGHANTXEHRU-KRWDZBQOSA-N 1 2 341.455 3.563 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000428223212 1025058434 /nfs/dbraw/zinc/05/84/34/1025058434.db2.gz JMCXGHANTXEHRU-KRWDZBQOSA-N 1 2 341.455 3.563 20 0 EHADLO C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccc(O)c1 ZINC000342363740 1025060723 /nfs/dbraw/zinc/06/07/23/1025060723.db2.gz SZXUTZPWRWGSSQ-KSSFIOAISA-N 1 2 335.407 3.515 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(c3cc(F)ccc3F)CC2)o1 ZINC000428229888 1025065329 /nfs/dbraw/zinc/06/53/29/1025065329.db2.gz PSJIGUNBQFRVRZ-UHFFFAOYSA-N 1 2 335.398 3.536 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C3CCC3)C3CCC3)cn2c1 ZINC000346735821 1025069143 /nfs/dbraw/zinc/06/91/43/1025069143.db2.gz KBLYXFVTOCCAQH-UHFFFAOYSA-N 1 2 343.496 3.810 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C)n(C)n2)Cc2ccccc2)cc1 ZINC000487410997 1025080394 /nfs/dbraw/zinc/08/03/94/1025080394.db2.gz GYXUMJWYUSFWAU-UHFFFAOYSA-N 1 2 335.451 3.940 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C)n(C)n2)Cc2ccccc2)cc1 ZINC000487410997 1025080399 /nfs/dbraw/zinc/08/03/99/1025080399.db2.gz GYXUMJWYUSFWAU-UHFFFAOYSA-N 1 2 335.451 3.940 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000346771225 1025108228 /nfs/dbraw/zinc/10/82/28/1025108228.db2.gz FPUFAUSHULAGBG-UHFFFAOYSA-N 1 2 333.435 3.811 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761052291 1033259877 /nfs/dbraw/zinc/25/98/77/1033259877.db2.gz OEEVEEGINOGGGF-VXGBXAGGSA-N 1 2 325.334 3.990 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761052291 1033259885 /nfs/dbraw/zinc/25/98/85/1033259885.db2.gz OEEVEEGINOGGGF-VXGBXAGGSA-N 1 2 325.334 3.990 20 0 EHADLO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000185936917 1025127870 /nfs/dbraw/zinc/12/78/70/1025127870.db2.gz YPZYCFRASGSEAL-UHFFFAOYSA-N 1 2 344.480 3.956 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc(F)c1 ZINC000665271089 1025135435 /nfs/dbraw/zinc/13/54/35/1025135435.db2.gz GYBRLLNUCLWAOT-RBUKOAKNSA-N 1 2 336.414 3.508 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000152068545 1025145394 /nfs/dbraw/zinc/14/53/94/1025145394.db2.gz AOVXKTZYFXNYMY-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO CC(C)COc1ccccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657324158 1025156774 /nfs/dbraw/zinc/15/67/74/1025156774.db2.gz VYHNDWQFSGKTDI-UHFFFAOYSA-N 1 2 336.439 3.592 20 0 EHADLO CSCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000342392765 1025173825 /nfs/dbraw/zinc/17/38/25/1025173825.db2.gz JHPAPCQZJWKIMD-HNNXBMFYSA-N 1 2 338.492 3.564 20 0 EHADLO COc1cnc([C@@H]2CCC[N@@H+]2C/C=C\c2ccc(Cl)cc2)[nH]c1=O ZINC000934269922 1025182979 /nfs/dbraw/zinc/18/29/79/1025182979.db2.gz COUGZHHLNXIFRQ-HKLWWIALSA-N 1 2 345.830 3.695 20 0 EHADLO COc1cnc([C@@H]2CCC[N@H+]2C/C=C\c2ccc(Cl)cc2)[nH]c1=O ZINC000934269922 1025182983 /nfs/dbraw/zinc/18/29/83/1025182983.db2.gz COUGZHHLNXIFRQ-HKLWWIALSA-N 1 2 345.830 3.695 20 0 EHADLO CC(C)N(CC1CC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000896150242 1025186446 /nfs/dbraw/zinc/18/64/46/1025186446.db2.gz BPCRHUKEWWKFHS-QAQDUYKDSA-N 1 2 330.476 3.635 20 0 EHADLO O=C(C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1)c1cccs1 ZINC000934269662 1025189052 /nfs/dbraw/zinc/18/90/52/1025189052.db2.gz JMEKKKDVVBXICN-ZDUSSCGKSA-N 1 2 339.420 3.502 20 0 EHADLO FC(F)c1cscc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163121 1025191186 /nfs/dbraw/zinc/19/11/86/1025191186.db2.gz KHKNZOLHAMRPJW-BXKDBHETSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1cscc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163121 1025191193 /nfs/dbraw/zinc/19/11/93/1025191193.db2.gz KHKNZOLHAMRPJW-BXKDBHETSA-N 1 2 341.383 3.662 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccn3ccccc23)c1)[NH+]1CCOCC1 ZINC000896172709 1025204488 /nfs/dbraw/zinc/20/44/88/1025204488.db2.gz HADPPVSMCDCOJX-INIZCTEOSA-N 1 2 349.434 3.585 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c[nH+]1 ZINC000896178340 1025214980 /nfs/dbraw/zinc/21/49/80/1025214980.db2.gz MQOWAXIAFVOFBR-UHFFFAOYSA-N 1 2 347.409 3.611 20 0 EHADLO Cc1cc(NC(=O)CCOc2cccc(Cl)c2Cl)cc[nH+]1 ZINC000346836116 1025224822 /nfs/dbraw/zinc/22/48/22/1025224822.db2.gz ALTYPSDRBVDFSN-UHFFFAOYSA-N 1 2 325.195 3.526 20 0 EHADLO COc1cc(C[NH2+]Cc2c(F)cncc2Br)ccc1C ZINC000657332772 1025247707 /nfs/dbraw/zinc/24/77/07/1025247707.db2.gz PMJVSOLFCRRXBQ-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000431354045 1025255491 /nfs/dbraw/zinc/25/54/91/1025255491.db2.gz SUIOJEWXPXUGMQ-UHFFFAOYSA-N 1 2 338.264 3.611 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc2n1CCCCC2)C(C)(C)C ZINC000934288933 1025262826 /nfs/dbraw/zinc/26/28/26/1025262826.db2.gz JASNCAQSBXTXQN-GOSISDBHSA-N 1 2 327.476 3.585 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000521195869 1025269782 /nfs/dbraw/zinc/26/97/82/1025269782.db2.gz XWSJNQVFFUYDGQ-UHFFFAOYSA-N 1 2 344.430 3.992 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000521195869 1025269787 /nfs/dbraw/zinc/26/97/87/1025269787.db2.gz XWSJNQVFFUYDGQ-UHFFFAOYSA-N 1 2 344.430 3.992 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(O)ccc2Br)cc1 ZINC000505746637 1025312169 /nfs/dbraw/zinc/31/21/69/1025312169.db2.gz YVNGXDSALPDCCY-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(O)ccc2Br)cc1 ZINC000505746637 1025312176 /nfs/dbraw/zinc/31/21/76/1025312176.db2.gz YVNGXDSALPDCCY-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(C)[nH]1)[C@H](C1CCCCC1)C2 ZINC000428249852 1025313906 /nfs/dbraw/zinc/31/39/06/1025313906.db2.gz YOODMXPPWPUPHS-IBGZPJMESA-N 1 2 340.471 3.629 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1nnc(C)[nH]1)[C@H](C1CCCCC1)C2 ZINC000428249852 1025313922 /nfs/dbraw/zinc/31/39/22/1025313922.db2.gz YOODMXPPWPUPHS-IBGZPJMESA-N 1 2 340.471 3.629 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)c1nnc2ccccn21 ZINC000657341371 1025316661 /nfs/dbraw/zinc/31/66/61/1025316661.db2.gz WDTYCIHHFDQMPH-MRXNPFEDSA-N 1 2 334.345 3.634 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)[C@H](C)C1 ZINC000281648751 1025328466 /nfs/dbraw/zinc/32/84/66/1025328466.db2.gz JOULQJSQTDMNSQ-RHSMWYFYSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)[C@H](C)C1 ZINC000281648751 1025328482 /nfs/dbraw/zinc/32/84/82/1025328482.db2.gz JOULQJSQTDMNSQ-RHSMWYFYSA-N 1 2 332.469 3.721 20 0 EHADLO CCCN(C(=O)NCCn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000054541922 1025332193 /nfs/dbraw/zinc/33/21/93/1025332193.db2.gz DASSZGPRMRMZPW-OAHLLOKOSA-N 1 2 340.427 3.812 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3cccnc3s2)c1C ZINC000449815339 1033275239 /nfs/dbraw/zinc/27/52/39/1033275239.db2.gz PXISPEDJPQVWOA-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000611576753 1025344124 /nfs/dbraw/zinc/34/41/24/1025344124.db2.gz WVAMMMNGTYGEIZ-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000611576753 1025344132 /nfs/dbraw/zinc/34/41/32/1025344132.db2.gz WVAMMMNGTYGEIZ-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO Cc1cnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(Br)c1 ZINC000684762776 1025363268 /nfs/dbraw/zinc/36/32/68/1025363268.db2.gz OKZBDCRXCRLHHY-OAHLLOKOSA-N 1 2 332.245 3.751 20 0 EHADLO Cc1cnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c(Br)c1 ZINC000684762776 1025363281 /nfs/dbraw/zinc/36/32/81/1025363281.db2.gz OKZBDCRXCRLHHY-OAHLLOKOSA-N 1 2 332.245 3.751 20 0 EHADLO CC1(c2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001125583918 1025384949 /nfs/dbraw/zinc/38/49/49/1025384949.db2.gz ALCDONYADXVYAD-UHFFFAOYSA-N 1 2 331.419 3.854 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000521450700 1025398585 /nfs/dbraw/zinc/39/85/85/1025398585.db2.gz HZVQUKQLYMKHIU-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO CC(C)CC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660440 1025403727 /nfs/dbraw/zinc/40/37/27/1025403727.db2.gz ZIYRINMPOXAWRD-SJORKVTESA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)CC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660440 1025403732 /nfs/dbraw/zinc/40/37/32/1025403732.db2.gz ZIYRINMPOXAWRD-SJORKVTESA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)ccn1 ZINC000657356818 1025441862 /nfs/dbraw/zinc/44/18/62/1025441862.db2.gz SHWDHWUEHVWNII-HNNXBMFYSA-N 1 2 343.475 3.501 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)[nH]1 ZINC000281762474 1025452466 /nfs/dbraw/zinc/45/24/66/1025452466.db2.gz WKMQILNREXEHRZ-ZIBATOQPSA-N 1 2 332.423 3.804 20 0 EHADLO COc1cccc2c(NC[C@H](CO)Cc3ccc(F)cc3)cc[nH+]c12 ZINC000436196201 1025467524 /nfs/dbraw/zinc/46/75/24/1025467524.db2.gz UMAWRVOSGPYRHB-OAHLLOKOSA-N 1 2 340.398 3.646 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H]1C1CCCC1 ZINC000896478831 1025485621 /nfs/dbraw/zinc/48/56/21/1025485621.db2.gz CLGASXWSDKUDBL-RTBURBONSA-N 1 2 338.455 3.599 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(C)c2C)cc1 ZINC000451064163 1025489801 /nfs/dbraw/zinc/48/98/01/1025489801.db2.gz WGWGCOBQQAZXQO-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cccc(C)c2C)cc1 ZINC000451064163 1025489811 /nfs/dbraw/zinc/48/98/11/1025489811.db2.gz WGWGCOBQQAZXQO-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO CCc1cc(CCC[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)on1 ZINC000451068401 1025510785 /nfs/dbraw/zinc/51/07/85/1025510785.db2.gz BTXFFBVIIJVNCJ-OAHLLOKOSA-N 1 2 334.382 3.601 20 0 EHADLO CCc1cc(CCC[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)on1 ZINC000451068401 1025510791 /nfs/dbraw/zinc/51/07/91/1025510791.db2.gz BTXFFBVIIJVNCJ-OAHLLOKOSA-N 1 2 334.382 3.601 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122421 1025557292 /nfs/dbraw/zinc/55/72/92/1025557292.db2.gz RIGGXZKDDBLXPT-WDEREUQCSA-N 1 2 328.225 3.514 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ncc(C(C)(C)C)s3)[nH+]c12 ZINC000081233560 1025547189 /nfs/dbraw/zinc/54/71/89/1025547189.db2.gz XDEGAKONSYPLPK-UHFFFAOYSA-N 1 2 328.441 3.578 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)O1 ZINC000451122421 1025557281 /nfs/dbraw/zinc/55/72/81/1025557281.db2.gz RIGGXZKDDBLXPT-WDEREUQCSA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)CCOCCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000515780467 1025589771 /nfs/dbraw/zinc/58/97/71/1025589771.db2.gz GRVRGPWYOQZGNJ-OAHLLOKOSA-N 1 2 340.895 3.512 20 0 EHADLO CC(C)CCOCCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000515780467 1025589780 /nfs/dbraw/zinc/58/97/80/1025589780.db2.gz GRVRGPWYOQZGNJ-OAHLLOKOSA-N 1 2 340.895 3.512 20 0 EHADLO Cc1cc(Cl)nc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000281855434 1025593511 /nfs/dbraw/zinc/59/35/11/1025593511.db2.gz BRBQYDYIJULWHD-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cncc(Br)c2)C1 ZINC000347168726 1025607413 /nfs/dbraw/zinc/60/74/13/1025607413.db2.gz OASNINNWWSRJTL-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cncc(Br)c2)C1 ZINC000347168726 1025607422 /nfs/dbraw/zinc/60/74/22/1025607422.db2.gz OASNINNWWSRJTL-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000303695059 1025614976 /nfs/dbraw/zinc/61/49/76/1025614976.db2.gz QNGNZAJXNZUBIJ-SFHVURJKSA-N 1 2 337.810 3.943 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000442962214 1025624075 /nfs/dbraw/zinc/62/40/75/1025624075.db2.gz CDSIBPMFDZCXMV-WMZOPIPTSA-N 1 2 337.467 3.666 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000119700533 1025653817 /nfs/dbraw/zinc/65/38/17/1025653817.db2.gz MSNGZOZYWONGIY-SFHVURJKSA-N 1 2 327.428 3.939 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001167558454 1025679081 /nfs/dbraw/zinc/67/90/81/1025679081.db2.gz NSDGOAOFIZSSAL-PKOBYXMFSA-N 1 2 346.515 3.934 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001167558454 1025679085 /nfs/dbraw/zinc/67/90/85/1025679085.db2.gz NSDGOAOFIZSSAL-PKOBYXMFSA-N 1 2 346.515 3.934 20 0 EHADLO CC(C)CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000443063973 1025681258 /nfs/dbraw/zinc/68/12/58/1025681258.db2.gz ODAFMBIFKGHIOH-UHFFFAOYSA-N 1 2 341.455 3.647 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)cn1 ZINC000443070966 1025688206 /nfs/dbraw/zinc/68/82/06/1025688206.db2.gz RMZBESVCOYJFNY-UHFFFAOYSA-N 1 2 339.418 3.557 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)cn1 ZINC000443070966 1025688220 /nfs/dbraw/zinc/68/82/20/1025688220.db2.gz RMZBESVCOYJFNY-UHFFFAOYSA-N 1 2 339.418 3.557 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000515875415 1025701463 /nfs/dbraw/zinc/70/14/63/1025701463.db2.gz ZULMZIWVAOKNTB-VIFPVBQESA-N 1 2 326.170 3.686 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000515875415 1025701454 /nfs/dbraw/zinc/70/14/54/1025701454.db2.gz ZULMZIWVAOKNTB-VIFPVBQESA-N 1 2 326.170 3.686 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000443098635 1025727904 /nfs/dbraw/zinc/72/79/04/1025727904.db2.gz AZMQPDJCBKGFAR-DOTOQJQBSA-N 1 2 326.444 3.640 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4cccc5ncccc54)no3)c2)c[nH+]1 ZINC000347254184 1025738194 /nfs/dbraw/zinc/73/81/94/1025738194.db2.gz ZJWIBWOVYMIZIN-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(F)cc1 ZINC000121726981 1025738948 /nfs/dbraw/zinc/73/89/48/1025738948.db2.gz QMDVDHWSASTGTM-OAHLLOKOSA-N 1 2 346.427 3.563 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(F)cc1 ZINC000121726981 1025738962 /nfs/dbraw/zinc/73/89/62/1025738962.db2.gz QMDVDHWSASTGTM-OAHLLOKOSA-N 1 2 346.427 3.563 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000119719960 1025750458 /nfs/dbraw/zinc/75/04/58/1025750458.db2.gz LMXXJNRSAYNQNA-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474892918 1025776248 /nfs/dbraw/zinc/77/62/48/1025776248.db2.gz BDDWJUWZBPYPLL-BFHYXJOUSA-N 1 2 337.460 3.516 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2cccc(-n3ccnn3)c2)c[nH+]1 ZINC000348414410 1025803778 /nfs/dbraw/zinc/80/37/78/1025803778.db2.gz ROGURKMGDONYAG-OAHLLOKOSA-N 1 2 336.443 3.682 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc(-c3ccccc3F)cs1)C2 ZINC000896653853 1025810188 /nfs/dbraw/zinc/81/01/88/1025810188.db2.gz HQQXCORMLNPNFZ-UHFFFAOYSA-N 1 2 328.416 3.728 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326181 1025829375 /nfs/dbraw/zinc/82/93/75/1025829375.db2.gz CRCITAMCDQMMGX-QGZVFWFLSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326181 1025829388 /nfs/dbraw/zinc/82/93/88/1025829388.db2.gz CRCITAMCDQMMGX-QGZVFWFLSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000451330061 1025835458 /nfs/dbraw/zinc/83/54/58/1025835458.db2.gz LGPLJZJBUHOCKY-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000451330061 1025835463 /nfs/dbraw/zinc/83/54/63/1025835463.db2.gz LGPLJZJBUHOCKY-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000347298821 1025839826 /nfs/dbraw/zinc/83/98/26/1025839826.db2.gz IQEUTYFWFSXOMK-CQSZACIVSA-N 1 2 337.345 3.675 20 0 EHADLO CN(CCC1CCCCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000586096038 1025841849 /nfs/dbraw/zinc/84/18/49/1025841849.db2.gz WFIVTXMPWDJPMJ-UHFFFAOYSA-N 1 2 329.488 3.614 20 0 EHADLO C[C@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccn(C)n1 ZINC000521982327 1025854660 /nfs/dbraw/zinc/85/46/60/1025854660.db2.gz GKWRNORQKNVZDU-KSSFIOAISA-N 1 2 332.879 3.561 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000436550622 1025854591 /nfs/dbraw/zinc/85/45/91/1025854591.db2.gz ZXGUGSXVUROGDO-AWEZNQCLSA-N 1 2 327.428 3.567 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000896680640 1025865978 /nfs/dbraw/zinc/86/59/78/1025865978.db2.gz ADJJKUKIIFIMRN-QAPCUYQASA-N 1 2 325.456 3.579 20 0 EHADLO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474923368 1025891958 /nfs/dbraw/zinc/89/19/58/1025891958.db2.gz DTTXICIXVAMHKV-CVEARBPZSA-N 1 2 328.460 3.688 20 0 EHADLO CCc1cc(N2CCCCC[C@H]2c2noc(C(C)C)n2)nc(C)[nH+]1 ZINC000329474911 1025899297 /nfs/dbraw/zinc/89/92/97/1025899297.db2.gz SWJPHFOYFDPMKH-HNNXBMFYSA-N 1 2 329.448 3.976 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000121842369 1025909581 /nfs/dbraw/zinc/90/95/81/1025909581.db2.gz KPNATHXNYDZGNT-IQMFZBJNSA-N 1 2 346.477 3.613 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccc(OCC2CC2)c(F)c1 ZINC000657396108 1025914149 /nfs/dbraw/zinc/91/41/49/1025914149.db2.gz NVCNNAWLQWZGPM-CYBMUJFWSA-N 1 2 344.434 3.782 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000522089434 1025949898 /nfs/dbraw/zinc/94/98/98/1025949898.db2.gz MDUWZZUVMYFWEK-HNNXBMFYSA-N 1 2 342.443 3.917 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCCCc2ccc(O)cc2)c[nH+]1 ZINC000665570526 1025955089 /nfs/dbraw/zinc/95/50/89/1025955089.db2.gz CMOJGHZPGICSTM-UHFFFAOYSA-N 1 2 326.440 3.823 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000329522327 1025957032 /nfs/dbraw/zinc/95/70/32/1025957032.db2.gz RCCHCSPEXQDSGG-GOSISDBHSA-N 1 2 340.471 3.959 20 0 EHADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(Br)cc1Cl ZINC000191174634 1025976318 /nfs/dbraw/zinc/97/63/18/1025976318.db2.gz UHIDBYPBAHNHGU-UWVGGRQHSA-N 1 2 332.669 3.836 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000522123798 1026004490 /nfs/dbraw/zinc/00/44/90/1026004490.db2.gz JDTOCKMMLNXLIV-GOSISDBHSA-N 1 2 340.467 3.934 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(O)c1C ZINC000436697215 1026057967 /nfs/dbraw/zinc/05/79/67/1026057967.db2.gz KMVJDEOFADLJAH-UHFFFAOYSA-N 1 2 345.468 3.704 20 0 EHADLO COc1cccc(CNc2ccccc2OCCn2cc[nH+]c2)c1F ZINC000192699229 1026072631 /nfs/dbraw/zinc/07/26/31/1026072631.db2.gz QHXUNJILBXHLPK-UHFFFAOYSA-N 1 2 341.386 3.722 20 0 EHADLO c1cn(-c2ccc(Cc3noc(COCC4CCCC4)n3)cc2)c[nH+]1 ZINC000896821206 1026084796 /nfs/dbraw/zinc/08/47/96/1026084796.db2.gz PBDMJLRYJPWVEA-UHFFFAOYSA-N 1 2 338.411 3.553 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366649794 1026094636 /nfs/dbraw/zinc/09/46/36/1026094636.db2.gz DLDLVKQRSLHIQW-SQWLQELKSA-N 1 2 345.874 3.750 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)c2ccccc2C1 ZINC000103412138 1026098505 /nfs/dbraw/zinc/09/85/05/1026098505.db2.gz ONNOUGUYQNKXBE-UHFFFAOYSA-N 1 2 326.465 3.719 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)c2ccccc2C1 ZINC000103412138 1026098523 /nfs/dbraw/zinc/09/85/23/1026098523.db2.gz ONNOUGUYQNKXBE-UHFFFAOYSA-N 1 2 326.465 3.719 20 0 EHADLO CC[C@@H](C)[C@H](OC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822046 1026107117 /nfs/dbraw/zinc/10/71/17/1026107117.db2.gz ZABFPQATJLEYTK-DYVFJYSZSA-N 1 2 326.400 3.580 20 0 EHADLO FC1(F)CC[C@@H](Cc2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821953 1026107964 /nfs/dbraw/zinc/10/79/64/1026107964.db2.gz XUILJUNCTZWEFH-AWEZNQCLSA-N 1 2 344.365 3.824 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000304241795 1026127484 /nfs/dbraw/zinc/12/74/84/1026127484.db2.gz MDQUMOKVOISPKZ-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000304241795 1026127491 /nfs/dbraw/zinc/12/74/91/1026127491.db2.gz MDQUMOKVOISPKZ-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042998766 1026128599 /nfs/dbraw/zinc/12/85/99/1026128599.db2.gz NXKXAEOPKXGFFA-INIZCTEOSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451562037 1026136497 /nfs/dbraw/zinc/13/64/97/1026136497.db2.gz CFMNJBGEDIGZCQ-CQSZACIVSA-N 1 2 332.245 3.537 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451562037 1026136505 /nfs/dbraw/zinc/13/65/05/1026136505.db2.gz CFMNJBGEDIGZCQ-CQSZACIVSA-N 1 2 332.245 3.537 20 0 EHADLO Cn1nc(C(F)(F)F)cc1CNc1c[nH+]ccc1OC(C)(C)C ZINC000657417342 1026138898 /nfs/dbraw/zinc/13/88/98/1026138898.db2.gz WXEDSSFNFZBEFW-UHFFFAOYSA-N 1 2 328.338 3.623 20 0 EHADLO CSc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030219344 1026146040 /nfs/dbraw/zinc/14/60/40/1026146040.db2.gz BAXPEFFUCYLKNB-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccc(F)c1 ZINC000096971346 1026153946 /nfs/dbraw/zinc/15/39/46/1026153946.db2.gz WDQGKCKBTALNFM-UHFFFAOYSA-N 1 2 329.400 3.506 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccc(F)c1 ZINC000096971346 1026153958 /nfs/dbraw/zinc/15/39/58/1026153958.db2.gz WDQGKCKBTALNFM-UHFFFAOYSA-N 1 2 329.400 3.506 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)s1 ZINC000122021973 1026154601 /nfs/dbraw/zinc/15/46/01/1026154601.db2.gz YNXQDBCEXJTSDA-KBPBESRZSA-N 1 2 349.544 3.796 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)s1 ZINC000122021973 1026154615 /nfs/dbraw/zinc/15/46/15/1026154615.db2.gz YNXQDBCEXJTSDA-KBPBESRZSA-N 1 2 349.544 3.796 20 0 EHADLO COc1cccc(Nc2ccc(NCc3nc(C)ccc3O)[nH+]c2)c1 ZINC001203145143 1026162909 /nfs/dbraw/zinc/16/29/09/1026162909.db2.gz YLXNYYAHEWMNKJ-UHFFFAOYSA-N 1 2 336.395 3.855 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000511120093 1026205186 /nfs/dbraw/zinc/20/51/86/1026205186.db2.gz AVADUHBITGPAIF-MRXNPFEDSA-N 1 2 334.529 3.999 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC[C@@H]2C2OCCO2)c1 ZINC000897004406 1026214625 /nfs/dbraw/zinc/21/46/25/1026214625.db2.gz ILYURYZFMMADFG-CQSZACIVSA-N 1 2 338.329 3.595 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](CCOC)c2cccc(C(F)(F)F)c2)o1 ZINC000451689831 1026231432 /nfs/dbraw/zinc/23/14/32/1026231432.db2.gz KDFKYJQECWXLLE-ZDUSSCGKSA-N 1 2 343.349 3.518 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)s1 ZINC000277594059 1026236886 /nfs/dbraw/zinc/23/68/86/1026236886.db2.gz ZZAUOZNTIOEORC-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000451717398 1026250503 /nfs/dbraw/zinc/25/05/03/1026250503.db2.gz ZKMXGVIAMOMHDD-QGZVFWFLSA-N 1 2 341.499 3.889 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCN(Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000451717398 1026250518 /nfs/dbraw/zinc/25/05/18/1026250518.db2.gz ZKMXGVIAMOMHDD-QGZVFWFLSA-N 1 2 341.499 3.889 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000043311164 1026260724 /nfs/dbraw/zinc/26/07/24/1026260724.db2.gz HTKZTRUVRDFBRG-NSHDSACASA-N 1 2 341.242 3.593 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000192762901 1026338743 /nfs/dbraw/zinc/33/87/43/1026338743.db2.gz OUBUYYOGGPVUJN-AWEZNQCLSA-N 1 2 347.484 3.504 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000530856182 1026355090 /nfs/dbraw/zinc/35/50/90/1026355090.db2.gz CBDKZFUVWODEAW-MRXNPFEDSA-N 1 2 336.439 3.905 20 0 EHADLO COc1cc(Br)ccc1C[NH2+]Cc1nccn1C(C)C ZINC000657440118 1026363619 /nfs/dbraw/zinc/36/36/19/1026363619.db2.gz NGONEGWOZNJRAL-UHFFFAOYSA-N 1 2 338.249 3.525 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451921154 1026390998 /nfs/dbraw/zinc/39/09/98/1026390998.db2.gz HZXVOTBWIXVXAK-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cs1 ZINC000609744711 1026411801 /nfs/dbraw/zinc/41/18/01/1026411801.db2.gz WMRTWUGMVGXPPG-UHFFFAOYSA-N 1 2 348.443 3.666 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cs1 ZINC000609744711 1026411806 /nfs/dbraw/zinc/41/18/06/1026411806.db2.gz WMRTWUGMVGXPPG-UHFFFAOYSA-N 1 2 348.443 3.666 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H](C)C1CCCCC1 ZINC000475286698 1026442630 /nfs/dbraw/zinc/44/26/30/1026442630.db2.gz KWHHYJXCHILVCF-HUUCEWRRSA-N 1 2 328.460 3.738 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159156826 1026504385 /nfs/dbraw/zinc/50/43/85/1026504385.db2.gz BCYWRYUOVBYJCN-HZPDHXFCSA-N 1 2 342.443 3.662 20 0 EHADLO CC(C)C1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000475352651 1026504812 /nfs/dbraw/zinc/50/48/12/1026504812.db2.gz UPBDOJGQHGDEQO-UHFFFAOYSA-N 1 2 339.277 3.756 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccoc1 ZINC000342627068 1026509659 /nfs/dbraw/zinc/50/96/59/1026509659.db2.gz CDWRQJDJOXPTCB-LBPRGKRZSA-N 1 2 338.810 3.551 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000342627068 1026509666 /nfs/dbraw/zinc/50/96/66/1026509666.db2.gz CDWRQJDJOXPTCB-LBPRGKRZSA-N 1 2 338.810 3.551 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)NCCc2cn(C)c[nH+]2)c1Cl ZINC000840842602 1026509911 /nfs/dbraw/zinc/50/99/11/1026509911.db2.gz XTMWYLICHBTPKG-UHFFFAOYSA-N 1 2 343.283 3.564 20 0 EHADLO Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475366067 1026524042 /nfs/dbraw/zinc/52/40/42/1026524042.db2.gz GGMWXGOEQMRIAZ-IBGZPJMESA-N 1 2 348.450 3.559 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000152681684 1026530240 /nfs/dbraw/zinc/53/02/40/1026530240.db2.gz XDWKLKOXOONBFN-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000152681684 1026530243 /nfs/dbraw/zinc/53/02/43/1026530243.db2.gz XDWKLKOXOONBFN-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000342636876 1026540050 /nfs/dbraw/zinc/54/00/50/1026540050.db2.gz SHSIHEANFFYHIN-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000342636876 1026540055 /nfs/dbraw/zinc/54/00/55/1026540055.db2.gz SHSIHEANFFYHIN-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582549765 1026547313 /nfs/dbraw/zinc/54/73/13/1026547313.db2.gz JGRBVLZDXHKCQV-HIFRSBDPSA-N 1 2 339.361 3.953 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000475386527 1026547677 /nfs/dbraw/zinc/54/76/77/1026547677.db2.gz IOCSHOJPQZEFPS-IBGZPJMESA-N 1 2 348.450 3.641 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000475413248 1026587128 /nfs/dbraw/zinc/58/71/28/1026587128.db2.gz LSRMRCPRYSMSCO-QGZVFWFLSA-N 1 2 329.488 3.905 20 0 EHADLO C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccsc1 ZINC000158560409 1026621947 /nfs/dbraw/zinc/62/19/47/1026621947.db2.gz DHIBHYPAZXWGBO-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccsc1 ZINC000158560409 1026621949 /nfs/dbraw/zinc/62/19/49/1026621949.db2.gz DHIBHYPAZXWGBO-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO COc1ccc(CCCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452332237 1026663807 /nfs/dbraw/zinc/66/38/07/1026663807.db2.gz GJEQOXLXQHLPFP-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000054260862 1026667504 /nfs/dbraw/zinc/66/75/04/1026667504.db2.gz PHVNWYNHEAXFAC-AWEZNQCLSA-N 1 2 325.437 3.792 20 0 EHADLO O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452316852 1026677434 /nfs/dbraw/zinc/67/74/34/1026677434.db2.gz OXARZHAUNOOKKH-IBGZPJMESA-N 1 2 345.446 3.781 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000301080713 1026678325 /nfs/dbraw/zinc/67/83/25/1026678325.db2.gz ICHZPJSFSPIZCG-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO Fc1ccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000301100366 1026685417 /nfs/dbraw/zinc/68/54/17/1026685417.db2.gz HUZVOSWFZMUTCS-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC1(C)C ZINC000611643669 1026727695 /nfs/dbraw/zinc/72/76/95/1026727695.db2.gz NRPPQKBUAIPTKG-KRWDZBQOSA-N 1 2 329.488 3.583 20 0 EHADLO Cc1nc(-c2ccncc2)nc(NCCCCNc2cccc[nH+]2)c1C ZINC000301285166 1026750362 /nfs/dbraw/zinc/75/03/62/1026750362.db2.gz RFIHPBPMDWIWSO-UHFFFAOYSA-N 1 2 348.454 3.855 20 0 EHADLO CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342699626 1026753884 /nfs/dbraw/zinc/75/38/84/1026753884.db2.gz ABMVBXQYCOMPST-GOSISDBHSA-N 1 2 325.456 3.972 20 0 EHADLO c1ccc(-c2nsc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000301327859 1026763508 /nfs/dbraw/zinc/76/35/08/1026763508.db2.gz BZRVZEKSUSQBAJ-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301416873 1026798751 /nfs/dbraw/zinc/79/87/51/1026798751.db2.gz FSBQMCAWLQEQEB-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cccc(-n2cccn2)c1 ZINC000301416873 1026798760 /nfs/dbraw/zinc/79/87/60/1026798760.db2.gz FSBQMCAWLQEQEB-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO Cc1[nH+]ccn1CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000342710424 1026799503 /nfs/dbraw/zinc/79/95/03/1026799503.db2.gz RDXPITRISIQYRM-UHFFFAOYSA-N 1 2 333.848 3.812 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2cnn(-c3ccccc3)c2)c1 ZINC000301431287 1026803932 /nfs/dbraw/zinc/80/39/32/1026803932.db2.gz GNMTYWLQBCQVDA-UHFFFAOYSA-N 1 2 332.329 3.941 20 0 EHADLO Cc1nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)c(C)[nH+]1 ZINC000301434299 1026805478 /nfs/dbraw/zinc/80/54/78/1026805478.db2.gz ILHGPVLNJPBTJE-INIZCTEOSA-N 1 2 325.412 3.515 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)C1CCOCC1 ZINC000301446663 1026809892 /nfs/dbraw/zinc/80/98/92/1026809892.db2.gz RHVNUVOTCKAHFD-UHFFFAOYSA-N 1 2 342.439 3.644 20 0 EHADLO CC(C)[NH+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000050561478 1026819212 /nfs/dbraw/zinc/81/92/12/1026819212.db2.gz QWMRNCKUNLEAGH-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO COc1ccc([C@@H](C)N(C)c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301498237 1026829169 /nfs/dbraw/zinc/82/91/69/1026829169.db2.gz CDSDNYJYKSODIJ-OAHLLOKOSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccc([C@@H](C)N(C)c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301498237 1026829178 /nfs/dbraw/zinc/82/91/78/1026829178.db2.gz CDSDNYJYKSODIJ-OAHLLOKOSA-N 1 2 326.444 3.673 20 0 EHADLO Cc1cccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c12 ZINC000301561708 1026854325 /nfs/dbraw/zinc/85/43/25/1026854325.db2.gz UMKALCWBXVQQMI-UHFFFAOYSA-N 1 2 333.439 3.936 20 0 EHADLO Cc1cc(N2CCC=C(c3cn(C(C)C)nn3)CC2)nc(C2CC2)[nH+]1 ZINC000582647071 1026863665 /nfs/dbraw/zinc/86/36/65/1026863665.db2.gz NYCQVDZJKZWUTN-UHFFFAOYSA-N 1 2 338.459 3.519 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301590683 1026865503 /nfs/dbraw/zinc/86/55/03/1026865503.db2.gz XKWFIHWJAPVTBP-GFCCVEGCSA-N 1 2 348.903 3.952 20 0 EHADLO Cc1ccc([C@H](CNc2ccnc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000301621643 1026878032 /nfs/dbraw/zinc/87/80/32/1026878032.db2.gz NLUAAQWMSLAESD-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1ccc([C@@H](CNc2ccnc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000301621644 1026878390 /nfs/dbraw/zinc/87/83/90/1026878390.db2.gz NLUAAQWMSLAESD-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122974942 1026880094 /nfs/dbraw/zinc/88/00/94/1026880094.db2.gz RPHVNZZDAJMBSI-XHDPSFHLSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1ccnc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301665052 1026893353 /nfs/dbraw/zinc/89/33/53/1026893353.db2.gz ZOWKMBODIJUPSJ-IRXDYDNUSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1cc(NCc2nccn2CCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000301670226 1026895515 /nfs/dbraw/zinc/89/55/15/1026895515.db2.gz QBVMGLFVIKBUQX-UHFFFAOYSA-N 1 2 335.455 3.960 20 0 EHADLO FC(F)(F)c1csc(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000301679502 1026898352 /nfs/dbraw/zinc/89/83/52/1026898352.db2.gz IYYXPDHIZXJBIP-UHFFFAOYSA-N 1 2 328.363 3.638 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H](c2ccccc2)C1 ZINC000666001742 1026904985 /nfs/dbraw/zinc/90/49/85/1026904985.db2.gz XCZORNWCCFLLHK-LEUOFYLZSA-N 1 2 337.467 3.918 20 0 EHADLO COc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1Cl ZINC000301721372 1026915222 /nfs/dbraw/zinc/91/52/22/1026915222.db2.gz QPZWFLZJMWIGFI-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO COc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1Cl ZINC000301721372 1026915228 /nfs/dbraw/zinc/91/52/28/1026915228.db2.gz QPZWFLZJMWIGFI-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO CCc1nc2sccc2c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000301813037 1026948033 /nfs/dbraw/zinc/94/80/33/1026948033.db2.gz FMPAHQSOSQHQMK-UHFFFAOYSA-N 1 2 339.468 3.861 20 0 EHADLO Clc1ccccc1[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000301820990 1026951307 /nfs/dbraw/zinc/95/13/07/1026951307.db2.gz JUBKZSQAPFMUGD-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccccc1[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CCO1 ZINC000301820990 1026951313 /nfs/dbraw/zinc/95/13/13/1026951313.db2.gz JUBKZSQAPFMUGD-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000305755049 1026955154 /nfs/dbraw/zinc/95/51/54/1026955154.db2.gz AIGRVBRYJFREHC-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO CC(C)c1cc(N2CCN([C@H](C)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000301830907 1026955886 /nfs/dbraw/zinc/95/58/86/1026955886.db2.gz SHJZKZURCURNAB-CYBMUJFWSA-N 1 2 344.425 3.796 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153058766 1026982964 /nfs/dbraw/zinc/98/29/64/1026982964.db2.gz SLEXYFUVASYICL-OALUTQOASA-N 1 2 339.483 3.624 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1c(F)cccc1F ZINC000301901992 1026987449 /nfs/dbraw/zinc/98/74/49/1026987449.db2.gz VZCDYRKOIXDPFI-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(F)c2)c1C ZINC000123140753 1027000947 /nfs/dbraw/zinc/00/09/47/1027000947.db2.gz CAFQGOVCQOJJCN-UHFFFAOYSA-N 1 2 346.446 3.595 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000123140753 1027000958 /nfs/dbraw/zinc/00/09/58/1027000958.db2.gz CAFQGOVCQOJJCN-UHFFFAOYSA-N 1 2 346.446 3.595 20 0 EHADLO Cc1ccc(-c2noc(NCc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000302037107 1027029843 /nfs/dbraw/zinc/02/98/43/1027029843.db2.gz KGHXUYRWODZYQS-UHFFFAOYSA-N 1 2 331.379 3.843 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1F ZINC000302044622 1027032709 /nfs/dbraw/zinc/03/27/09/1027032709.db2.gz XMVZUKHBFRQIGD-YJBOKZPZSA-N 1 2 346.381 3.519 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000302044622 1027032714 /nfs/dbraw/zinc/03/27/14/1027032714.db2.gz XMVZUKHBFRQIGD-YJBOKZPZSA-N 1 2 346.381 3.519 20 0 EHADLO Cc1nc2c(s1)[C@@H](N(C)c1nc(C)[nH+]c3c1CCCC3)CCC2 ZINC000302055535 1027036974 /nfs/dbraw/zinc/03/69/74/1027036974.db2.gz QJRCJQILJVHDOY-INIZCTEOSA-N 1 2 328.485 3.943 20 0 EHADLO CCC(CC)[C@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000302068338 1027041277 /nfs/dbraw/zinc/04/12/77/1027041277.db2.gz SYRQAHCIEMIKCK-IAGOWNOFSA-N 1 2 332.492 3.863 20 0 EHADLO CCC(CC)[C@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000302068338 1027041284 /nfs/dbraw/zinc/04/12/84/1027041284.db2.gz SYRQAHCIEMIKCK-IAGOWNOFSA-N 1 2 332.492 3.863 20 0 EHADLO CO[C@H](C)CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277825805 1027060579 /nfs/dbraw/zinc/06/05/79/1027060579.db2.gz YHGCSSXPZDLDRP-CQSZACIVSA-N 1 2 327.428 3.640 20 0 EHADLO COc1cccc(CC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000302201814 1027087327 /nfs/dbraw/zinc/08/73/27/1027087327.db2.gz ZPZVBFXXOXXEGI-UHFFFAOYSA-N 1 2 348.450 3.680 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cs1 ZINC000272755196 1027096210 /nfs/dbraw/zinc/09/62/10/1027096210.db2.gz OPCGLTLBHOYVAG-NHYWBVRUSA-N 1 2 336.432 3.993 20 0 EHADLO CC(C)Cc1nsc(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000302232235 1027100905 /nfs/dbraw/zinc/10/09/05/1027100905.db2.gz DTOHDJLMCWJYBL-UHFFFAOYSA-N 1 2 327.457 3.594 20 0 EHADLO CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000272766673 1027103417 /nfs/dbraw/zinc/10/34/17/1027103417.db2.gz QBAVZIVOFRTXEH-CRAIPNDOSA-N 1 2 327.428 3.652 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(c3[nH]cc[nH+]3)CC1)[C@H](C)C2 ZINC000272851553 1027147784 /nfs/dbraw/zinc/14/77/84/1027147784.db2.gz SQFVECFMFJYWTQ-KDOFPFPSSA-N 1 2 338.455 3.541 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552643 1027168334 /nfs/dbraw/zinc/16/83/34/1027168334.db2.gz ONBPRYYRJGQCQV-ZGKFYVQTSA-N 1 2 331.419 3.982 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075554501 1027169109 /nfs/dbraw/zinc/16/91/09/1027169109.db2.gz SJVPVCPQTGXDCT-GOSISDBHSA-N 1 2 325.456 3.557 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000302497323 1027170698 /nfs/dbraw/zinc/17/06/98/1027170698.db2.gz BRRPWZOWTBDKEX-DOMZBBRYSA-N 1 2 331.382 3.804 20 0 EHADLO CC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000075579785 1027173708 /nfs/dbraw/zinc/17/37/08/1027173708.db2.gz LVWBAVYUNGSGPL-SFHVURJKSA-N 1 2 340.471 3.521 20 0 EHADLO Cc1nc(N[C@H](C)c2ccc([S@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272936449 1027185812 /nfs/dbraw/zinc/18/58/12/1027185812.db2.gz WHQODLJGMVXWFC-SPSFWMDKSA-N 1 2 329.469 3.574 20 0 EHADLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1ccc(F)cc1 ZINC000075645799 1027187088 /nfs/dbraw/zinc/18/70/88/1027187088.db2.gz MIKHTVVGIMAZHE-SNVBAGLBSA-N 1 2 331.313 3.897 20 0 EHADLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1ccc(F)cc1 ZINC000075645799 1027187093 /nfs/dbraw/zinc/18/70/93/1027187093.db2.gz MIKHTVVGIMAZHE-SNVBAGLBSA-N 1 2 331.313 3.897 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc(C)nn1 ZINC000414429652 1027204052 /nfs/dbraw/zinc/20/40/52/1027204052.db2.gz COUWIENZPVIVJY-OAHLLOKOSA-N 1 2 346.272 3.884 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc(C)nn1 ZINC000414429652 1027204073 /nfs/dbraw/zinc/20/40/73/1027204073.db2.gz COUWIENZPVIVJY-OAHLLOKOSA-N 1 2 346.272 3.884 20 0 EHADLO FC(F)(F)SCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001307526232 1027211331 /nfs/dbraw/zinc/21/13/31/1027211331.db2.gz JQDOREBLZMDKJG-UHFFFAOYSA-N 1 2 338.826 3.711 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C)c1ccc(C(F)(F)F)cc1 ZINC000302615779 1027214207 /nfs/dbraw/zinc/21/42/07/1027214207.db2.gz CMZHMJKGSPZVBL-SNVBAGLBSA-N 1 2 335.333 3.598 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075971309 1027214690 /nfs/dbraw/zinc/21/46/90/1027214690.db2.gz MTCSINCLLUVSGM-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCOc2c(F)cccc21 ZINC000302687407 1027238073 /nfs/dbraw/zinc/23/80/73/1027238073.db2.gz UJTHYJIHCIXDFW-AWEZNQCLSA-N 1 2 341.390 3.656 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ncc(C2CCCCC2)s1 ZINC000273036649 1027238302 /nfs/dbraw/zinc/23/83/02/1027238302.db2.gz GOZHQZLSDRKVMM-UHFFFAOYSA-N 1 2 333.461 3.599 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1[nH]ncc1Br ZINC000531714158 1027241805 /nfs/dbraw/zinc/24/18/05/1027241805.db2.gz PEFDZVPLBLXMRR-OAHLLOKOSA-N 1 2 336.277 3.919 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000076176435 1027257548 /nfs/dbraw/zinc/25/75/48/1027257548.db2.gz KATVCUUJHOTVKJ-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000076176435 1027257564 /nfs/dbraw/zinc/25/75/64/1027257564.db2.gz KATVCUUJHOTVKJ-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cn1 ZINC000640175329 1027262442 /nfs/dbraw/zinc/26/24/42/1027262442.db2.gz AASUOUVRNMCORC-UHFFFAOYSA-N 1 2 349.438 3.634 20 0 EHADLO COCCC[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277846901 1027281463 /nfs/dbraw/zinc/28/14/63/1027281463.db2.gz ZWIXEZRMPATNMS-HNNXBMFYSA-N 1 2 341.455 3.888 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c(C)s1 ZINC000302782828 1027287990 /nfs/dbraw/zinc/28/79/90/1027287990.db2.gz KPQLESOEEYYNSP-ZFWWWQNUSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c(C)s1 ZINC000302782828 1027288006 /nfs/dbraw/zinc/28/80/06/1027288006.db2.gz KPQLESOEEYYNSP-ZFWWWQNUSA-N 1 2 346.500 3.679 20 0 EHADLO CCO[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000302806309 1027302948 /nfs/dbraw/zinc/30/29/48/1027302948.db2.gz FTWIRISVGDSWGM-QGZVFWFLSA-N 1 2 326.444 3.657 20 0 EHADLO CCO[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000302806309 1027302967 /nfs/dbraw/zinc/30/29/67/1027302967.db2.gz FTWIRISVGDSWGM-QGZVFWFLSA-N 1 2 326.444 3.657 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3F)n2)C1 ZINC000045677932 1027326774 /nfs/dbraw/zinc/32/67/74/1027326774.db2.gz GCYPCKBBBQRPIT-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3F)n2)C1 ZINC000045677932 1027326788 /nfs/dbraw/zinc/32/67/88/1027326788.db2.gz GCYPCKBBBQRPIT-CYBMUJFWSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncnn21 ZINC000657568739 1027330253 /nfs/dbraw/zinc/33/02/53/1027330253.db2.gz LGOJADIHDKFSMV-PRHODGIISA-N 1 2 330.741 3.746 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1ccccc1Cl ZINC000302872720 1027336574 /nfs/dbraw/zinc/33/65/74/1027336574.db2.gz CDCMSQGAUSVNLJ-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1ccccc1Cl ZINC000302872720 1027336581 /nfs/dbraw/zinc/33/65/81/1027336581.db2.gz CDCMSQGAUSVNLJ-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nonc3C)s2)cc1 ZINC000273261000 1027344167 /nfs/dbraw/zinc/34/41/67/1027344167.db2.gz DWCGICDXAJUJCG-LLVKDONJSA-N 1 2 344.440 3.669 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)[C@@H](C)c1ccccc1 ZINC000302889564 1027347306 /nfs/dbraw/zinc/34/73/06/1027347306.db2.gz NGTJNNZIADFLDW-CABCVRRESA-N 1 2 328.485 3.634 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)[C@@H](C)c1ccccc1 ZINC000302889564 1027347317 /nfs/dbraw/zinc/34/73/17/1027347317.db2.gz NGTJNNZIADFLDW-CABCVRRESA-N 1 2 328.485 3.634 20 0 EHADLO c1c2c(oc1-c1ccccc1)CN(c1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000302897692 1027350524 /nfs/dbraw/zinc/35/05/24/1027350524.db2.gz PKNWUYZVFQJIBM-UHFFFAOYSA-N 1 2 346.434 3.900 20 0 EHADLO c1c2c(oc1-c1ccccc1)CN(c1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000302897692 1027350538 /nfs/dbraw/zinc/35/05/38/1027350538.db2.gz PKNWUYZVFQJIBM-UHFFFAOYSA-N 1 2 346.434 3.900 20 0 EHADLO COc1cccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1C ZINC001211928171 1027363213 /nfs/dbraw/zinc/36/32/13/1027363213.db2.gz UAYVADPXWHZGIQ-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045954486 1027372785 /nfs/dbraw/zinc/37/27/85/1027372785.db2.gz MYDMFJBKRYMWLH-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000077233782 1027412393 /nfs/dbraw/zinc/41/23/93/1027412393.db2.gz QBPKOIYGGGWZFX-HNNXBMFYSA-N 1 2 346.368 3.762 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000077233782 1027412395 /nfs/dbraw/zinc/41/23/95/1027412395.db2.gz QBPKOIYGGGWZFX-HNNXBMFYSA-N 1 2 346.368 3.762 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000077797624 1027476672 /nfs/dbraw/zinc/47/66/72/1027476672.db2.gz ALUXUBZVPCQEJA-IAGOWNOFSA-N 1 2 346.519 3.685 20 0 EHADLO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000475509067 1027491515 /nfs/dbraw/zinc/49/15/15/1027491515.db2.gz QWLZAUPJSISYBQ-SFHVURJKSA-N 1 2 344.524 3.539 20 0 EHADLO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000475509067 1027491519 /nfs/dbraw/zinc/49/15/19/1027491519.db2.gz QWLZAUPJSISYBQ-SFHVURJKSA-N 1 2 344.524 3.539 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[nH]1 ZINC000453179078 1027496610 /nfs/dbraw/zinc/49/66/10/1027496610.db2.gz PDDOMFUHXYLGLL-KGLIPLIRSA-N 1 2 338.459 3.740 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977146 1027506535 /nfs/dbraw/zinc/50/65/35/1027506535.db2.gz PHZGHDWGXMBIME-MAUKXSAKSA-N 1 2 349.434 3.670 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977146 1027506562 /nfs/dbraw/zinc/50/65/62/1027506562.db2.gz PHZGHDWGXMBIME-MAUKXSAKSA-N 1 2 349.434 3.670 20 0 EHADLO O=C(CC/C=C/c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078132775 1027532549 /nfs/dbraw/zinc/53/25/49/1027532549.db2.gz IZHNAMHYOMZJOD-RUDMXATFSA-N 1 2 331.419 3.982 20 0 EHADLO C[NH+](C)[C@@H](c1nc(C2(c3ccccc3F)CC2)no1)c1ccccc1 ZINC000420520282 1027598484 /nfs/dbraw/zinc/59/84/84/1027598484.db2.gz RRHAIQZHPQXEBF-QGZVFWFLSA-N 1 2 337.398 3.940 20 0 EHADLO COc1ccc(CN(Cc2[nH+]cc(C)n2C)CC2CCC2)c(OC)c1 ZINC000342842324 1027608176 /nfs/dbraw/zinc/60/81/76/1027608176.db2.gz SGISCHNBJBZPGV-UHFFFAOYSA-N 1 2 343.471 3.548 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)n2C)CC2CCC2)c(OC)c1 ZINC000342842324 1027608185 /nfs/dbraw/zinc/60/81/85/1027608185.db2.gz SGISCHNBJBZPGV-UHFFFAOYSA-N 1 2 343.471 3.548 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)n2C)CC2CCC2)c(OC)c1 ZINC000342842324 1027608195 /nfs/dbraw/zinc/60/81/95/1027608195.db2.gz SGISCHNBJBZPGV-UHFFFAOYSA-N 1 2 343.471 3.548 20 0 EHADLO Cc1cc2cc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000129880723 1027612591 /nfs/dbraw/zinc/61/25/91/1027612591.db2.gz ZUTAMOOTEYTPJI-UGSOOPFHSA-N 1 2 337.427 3.788 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000078287987 1027613779 /nfs/dbraw/zinc/61/37/79/1027613779.db2.gz BQRZWVMHKUPLRW-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)n1C ZINC000414462041 1027634108 /nfs/dbraw/zinc/63/41/08/1027634108.db2.gz LUSDPNYWLOAYNE-AWEZNQCLSA-N 1 2 340.471 3.521 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cc(F)cc(F)c1 ZINC000078330006 1027664177 /nfs/dbraw/zinc/66/41/77/1027664177.db2.gz DWIAGWUTTHTFRO-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO OCC[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000420641548 1027665340 /nfs/dbraw/zinc/66/53/40/1027665340.db2.gz NTZQIULYFYTIEI-CYBMUJFWSA-N 1 2 349.272 3.986 20 0 EHADLO COc1ccc(C(C)(C)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000153315371 1027690892 /nfs/dbraw/zinc/69/08/92/1027690892.db2.gz LPDLWAQWDMXNEA-UHFFFAOYSA-N 1 2 335.407 3.797 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130848099 1027708051 /nfs/dbraw/zinc/70/80/51/1027708051.db2.gz YTRZODGPKLMFPN-QGZVFWFLSA-N 1 2 343.446 3.804 20 0 EHADLO CCCCn1nnnc1C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533349530 1027716135 /nfs/dbraw/zinc/71/61/35/1027716135.db2.gz LHPCVQUILRDWLP-UHFFFAOYSA-N 1 2 331.439 3.557 20 0 EHADLO CCCCn1nnnc1C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533349530 1027716156 /nfs/dbraw/zinc/71/61/56/1027716156.db2.gz LHPCVQUILRDWLP-UHFFFAOYSA-N 1 2 331.439 3.557 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000934651076 1027730845 /nfs/dbraw/zinc/73/08/45/1027730845.db2.gz CTKUNFXTRVOVLB-CXAGYDPISA-N 1 2 339.439 3.954 20 0 EHADLO Cc1cc(CNC(=O)NCCCn2ccc3ccccc32)cc(C)[nH+]1 ZINC000420767414 1027735068 /nfs/dbraw/zinc/73/50/68/1027735068.db2.gz GUALPJSWEXEAKL-UHFFFAOYSA-N 1 2 336.439 3.543 20 0 EHADLO Cc1cc(CNC(=O)NCCSCc2ccccc2F)cc(C)[nH+]1 ZINC000420770626 1027736704 /nfs/dbraw/zinc/73/67/04/1027736704.db2.gz ZHNWTKJEEXIUKE-UHFFFAOYSA-N 1 2 347.459 3.570 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccnn2[C@@H](C)CC(C)C)c[nH+]1 ZINC000455140094 1027739948 /nfs/dbraw/zinc/73/99/48/1027739948.db2.gz KKTQUNWBKLKYSB-HNNXBMFYSA-N 1 2 329.448 3.824 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000533379082 1027740211 /nfs/dbraw/zinc/74/02/11/1027740211.db2.gz YMXGUUXEUIKFQL-HNNXBMFYSA-N 1 2 345.361 3.544 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000533379082 1027740229 /nfs/dbraw/zinc/74/02/29/1027740229.db2.gz YMXGUUXEUIKFQL-HNNXBMFYSA-N 1 2 345.361 3.544 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420787961 1027749889 /nfs/dbraw/zinc/74/98/89/1027749889.db2.gz FKILVEYYRNMUQS-GOSISDBHSA-N 1 2 339.439 3.584 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000119662142 1027762159 /nfs/dbraw/zinc/76/21/59/1027762159.db2.gz HKOYEBIUHDFGNO-UHFFFAOYSA-N 1 2 341.436 3.883 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503394503 1027763605 /nfs/dbraw/zinc/76/36/05/1027763605.db2.gz SGRBPNYUPIDYQS-IFXJQAMLSA-N 1 2 338.842 3.946 20 0 EHADLO CC(C)(C)c1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1 ZINC001211899955 1027770544 /nfs/dbraw/zinc/77/05/44/1027770544.db2.gz TYBZTZSOWGODOC-UHFFFAOYSA-N 1 2 333.382 3.742 20 0 EHADLO Cc1cccn2cc(Cc3noc(Cc4ccc(Cl)s4)n3)[nH+]c12 ZINC000582810288 1027787204 /nfs/dbraw/zinc/78/72/04/1027787204.db2.gz CLFKAOFKZHIINB-UHFFFAOYSA-N 1 2 344.827 3.922 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(C)[nH+]1 ZINC000420848038 1027787767 /nfs/dbraw/zinc/78/77/67/1027787767.db2.gz WUHVJZXMUABZMV-DLBZAZTESA-N 1 2 329.831 3.707 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)s1 ZINC000338292186 1027787973 /nfs/dbraw/zinc/78/79/73/1027787973.db2.gz QRLODVMGCNYFPP-NSHDSACASA-N 1 2 335.498 3.533 20 0 EHADLO Cc1cccc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C)c1 ZINC000153389505 1027790595 /nfs/dbraw/zinc/79/05/95/1027790595.db2.gz UKJYCRDARGQKCM-WMZOPIPTSA-N 1 2 325.456 3.658 20 0 EHADLO COc1ncc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Br ZINC001213085640 1027791844 /nfs/dbraw/zinc/79/18/44/1027791844.db2.gz PBKUCGAZKORSAD-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000420852839 1027797215 /nfs/dbraw/zinc/79/72/15/1027797215.db2.gz SUQNFVRXIGHIFQ-CYBMUJFWSA-N 1 2 332.473 3.674 20 0 EHADLO CCCCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H](C)CCC ZINC000422587858 1027797748 /nfs/dbraw/zinc/79/77/48/1027797748.db2.gz JBOVZMUJISRBTP-QGZVFWFLSA-N 1 2 347.503 3.522 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000420854860 1027798887 /nfs/dbraw/zinc/79/88/87/1027798887.db2.gz VJUXDQLHGFVJHW-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cnc1Cl ZINC000897319931 1027819085 /nfs/dbraw/zinc/81/90/85/1027819085.db2.gz DTWKKDJRTZIAPP-UHFFFAOYSA-N 1 2 340.814 3.693 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1Cl ZINC000277914873 1027827189 /nfs/dbraw/zinc/82/71/89/1027827189.db2.gz CHGNITCHBGVXRB-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1Cl ZINC000277914873 1027827208 /nfs/dbraw/zinc/82/72/08/1027827208.db2.gz CHGNITCHBGVXRB-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)Cn1cc[nH+]c1 ZINC000153440043 1027912880 /nfs/dbraw/zinc/91/28/80/1027912880.db2.gz DCELYSSVRVHSFB-KRWDZBQOSA-N 1 2 333.435 3.540 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@H]1CC ZINC000455249771 1027914865 /nfs/dbraw/zinc/91/48/65/1027914865.db2.gz IESYINYQTXEGMO-IAGOWNOFSA-N 1 2 334.508 3.693 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000523135880 1027917871 /nfs/dbraw/zinc/91/78/71/1027917871.db2.gz IRIARBLUKHVMHJ-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000444468451 1027923013 /nfs/dbraw/zinc/92/30/13/1027923013.db2.gz CYSGUWSYXMIZJJ-UHFFFAOYSA-N 1 2 328.322 3.631 20 0 EHADLO CC[C@@H]1C[C@H](C[NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)CCO1 ZINC000503587336 1027925736 /nfs/dbraw/zinc/92/57/36/1027925736.db2.gz SNRQSFYLDNAAJH-XYPHTWIQSA-N 1 2 349.862 3.916 20 0 EHADLO CC[C@@H]1C[C@@H](C[NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)CCO1 ZINC000503587335 1027926653 /nfs/dbraw/zinc/92/66/53/1027926653.db2.gz SNRQSFYLDNAAJH-XKQJLSEDSA-N 1 2 349.862 3.916 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@H](CC)O1 ZINC000420964333 1027931541 /nfs/dbraw/zinc/93/15/41/1027931541.db2.gz WTGHZRFVOROLSY-CALCHBBNSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@H](CC)O1 ZINC000420964333 1027931552 /nfs/dbraw/zinc/93/15/52/1027931552.db2.gz WTGHZRFVOROLSY-CALCHBBNSA-N 1 2 330.428 3.740 20 0 EHADLO Cn1cc(Cl)c(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)n1 ZINC000420961686 1027932772 /nfs/dbraw/zinc/93/27/72/1027932772.db2.gz JIUBBSNKGZNPPT-UHFFFAOYSA-N 1 2 348.809 3.733 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1cc(F)ccc1F ZINC000503594293 1027935666 /nfs/dbraw/zinc/93/56/66/1027935666.db2.gz LVMQFNRUYBCRTF-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1cc(F)ccc1F ZINC000503594293 1027935681 /nfs/dbraw/zinc/93/56/81/1027935681.db2.gz LVMQFNRUYBCRTF-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(OCC(F)(F)F)n2)c(C)[nH+]1 ZINC000132560719 1027936498 /nfs/dbraw/zinc/93/64/98/1027936498.db2.gz NXVSATVZJRSINT-UHFFFAOYSA-N 1 2 339.317 3.595 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132631433 1027947092 /nfs/dbraw/zinc/94/70/92/1027947092.db2.gz NDGPKBKSAHPBMI-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)c(C)c[nH+]1 ZINC000536621388 1027967040 /nfs/dbraw/zinc/96/70/40/1027967040.db2.gz JHPKUUPCOFPCFR-LBPRGKRZSA-N 1 2 335.354 3.604 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CCCCC2)c1 ZINC000428367729 1027994770 /nfs/dbraw/zinc/99/47/70/1027994770.db2.gz VAZJAXDMNOTQKY-SFHVURJKSA-N 1 2 337.467 3.525 20 0 EHADLO CC(C)c1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000523189831 1028010589 /nfs/dbraw/zinc/01/05/89/1028010589.db2.gz RDUVVWZNIDJXOP-UHFFFAOYSA-N 1 2 348.450 3.995 20 0 EHADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153493789 1028013442 /nfs/dbraw/zinc/01/34/42/1028013442.db2.gz DCRROFTWLHYOKM-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)Cn1cc[nH+]c1 ZINC000153498334 1028022704 /nfs/dbraw/zinc/02/27/04/1028022704.db2.gz SQIKQXKVPDYNCQ-MRXNPFEDSA-N 1 2 337.423 3.528 20 0 EHADLO O=C(C[N@H+]1CCc2ccc(O)cc2C1)Nc1cccc2ccccc21 ZINC000533530531 1028023835 /nfs/dbraw/zinc/02/38/35/1028023835.db2.gz WUVWCAXZNKSMHA-UHFFFAOYSA-N 1 2 332.403 3.542 20 0 EHADLO O=C(C[N@@H+]1CCc2ccc(O)cc2C1)Nc1cccc2ccccc21 ZINC000533530531 1028023853 /nfs/dbraw/zinc/02/38/53/1028023853.db2.gz WUVWCAXZNKSMHA-UHFFFAOYSA-N 1 2 332.403 3.542 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000533558960 1028082033 /nfs/dbraw/zinc/08/20/33/1028082033.db2.gz PDJHNQITOYTHLP-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000533558960 1028082049 /nfs/dbraw/zinc/08/20/49/1028082049.db2.gz PDJHNQITOYTHLP-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000078676480 1028084964 /nfs/dbraw/zinc/08/49/64/1028084964.db2.gz GUVPVYWLYYZABV-IAGOWNOFSA-N 1 2 346.519 3.666 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(CNCC[NH+]3CCC3)cs2)cc1 ZINC000533563321 1028088960 /nfs/dbraw/zinc/08/89/60/1028088960.db2.gz WFPBBPAKERMZSY-UHFFFAOYSA-N 1 2 341.402 3.624 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(-c3ccccc3C)nn2C)cc(C)[nH+]1 ZINC000421100249 1028106866 /nfs/dbraw/zinc/10/68/66/1028106866.db2.gz QBHNIAUIHGDPKK-UHFFFAOYSA-N 1 2 349.438 3.729 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444656407 1028119189 /nfs/dbraw/zinc/11/91/89/1028119189.db2.gz FKFUNTIAPAVHNC-QAPCUYQASA-N 1 2 343.858 3.853 20 0 EHADLO [NH3+][C@H](C(=O)Nc1ccc(SC2CCCC2)cc1)c1cscn1 ZINC000423015351 1028125466 /nfs/dbraw/zinc/12/54/66/1028125466.db2.gz KMSMSBJFVBZVEC-HNNXBMFYSA-N 1 2 333.482 3.816 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(N2CCCC2)nc1 ZINC000120789513 1028146432 /nfs/dbraw/zinc/14/64/32/1028146432.db2.gz SMIYWRBTAHOESB-UHFFFAOYSA-N 1 2 338.480 3.924 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(N2CCCC2)nc1 ZINC000120789513 1028146441 /nfs/dbraw/zinc/14/64/41/1028146441.db2.gz SMIYWRBTAHOESB-UHFFFAOYSA-N 1 2 338.480 3.924 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1C ZINC000548777966 1028157372 /nfs/dbraw/zinc/15/73/72/1028157372.db2.gz FVKYZNJSUUWZKM-VYDXJSESSA-N 1 2 341.459 3.520 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000135170524 1028172668 /nfs/dbraw/zinc/17/26/68/1028172668.db2.gz QTPNFGBRFPJPEL-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000455440246 1028178821 /nfs/dbraw/zinc/17/88/21/1028178821.db2.gz SRTAIFMFNYDWPS-OAHLLOKOSA-N 1 2 327.432 3.583 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105241109 1028183958 /nfs/dbraw/zinc/18/39/58/1028183958.db2.gz HKNJJNDWOZZBPK-SFHVURJKSA-N 1 2 340.471 3.594 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCN(C)c2ccccc2)c(C)[nH+]1 ZINC000455480524 1028197532 /nfs/dbraw/zinc/19/75/32/1028197532.db2.gz OEHQHIGOPYFOAP-UHFFFAOYSA-N 1 2 326.444 3.607 20 0 EHADLO COc1ccc(Br)cc1NCc1cccc2[nH+]ccn21 ZINC000342928052 1028210987 /nfs/dbraw/zinc/21/09/87/1028210987.db2.gz PNSRUTJKOIQEHG-UHFFFAOYSA-N 1 2 332.201 3.718 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000455495221 1028226834 /nfs/dbraw/zinc/22/68/34/1028226834.db2.gz FNZZRRCZIWCUIT-LJQANCHMSA-N 1 2 347.459 3.592 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC2(c3cccc(F)c3)CC2)c(C)[nH+]1 ZINC000455484621 1028252364 /nfs/dbraw/zinc/25/23/64/1028252364.db2.gz JSYOJUPLDDFCJX-UHFFFAOYSA-N 1 2 327.403 3.999 20 0 EHADLO COc1cc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc(OC)c1OC ZINC000423211875 1028255549 /nfs/dbraw/zinc/25/55/49/1028255549.db2.gz HOEYOQLBAZUOLX-GFCCVEGCSA-N 1 2 328.412 3.854 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000055053703 1028256265 /nfs/dbraw/zinc/25/62/65/1028256265.db2.gz OQVVJQMUUVNQMO-UHFFFAOYSA-N 1 2 341.455 3.567 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000055053703 1028256283 /nfs/dbraw/zinc/25/62/83/1028256283.db2.gz OQVVJQMUUVNQMO-UHFFFAOYSA-N 1 2 341.455 3.567 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055057994 1028256652 /nfs/dbraw/zinc/25/66/52/1028256652.db2.gz KWAUJWDLYQCWAM-NSHDSACASA-N 1 2 338.354 3.648 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055057994 1028256667 /nfs/dbraw/zinc/25/66/67/1028256667.db2.gz KWAUJWDLYQCWAM-NSHDSACASA-N 1 2 338.354 3.648 20 0 EHADLO COc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1Cl ZINC000455500621 1028272734 /nfs/dbraw/zinc/27/27/34/1028272734.db2.gz TXQVGNIWOYBENW-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C)s1 ZINC000444804268 1028274914 /nfs/dbraw/zinc/27/49/14/1028274914.db2.gz RAORMTGXPKMTII-LLVKDONJSA-N 1 2 344.406 3.881 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C)s1 ZINC000444804268 1028274925 /nfs/dbraw/zinc/27/49/25/1028274925.db2.gz RAORMTGXPKMTII-LLVKDONJSA-N 1 2 344.406 3.881 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000137032350 1028284534 /nfs/dbraw/zinc/28/45/34/1028284534.db2.gz ZVZXRULZURUWCG-ZFWWWQNUSA-N 1 2 332.473 3.570 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000137032350 1028284549 /nfs/dbraw/zinc/28/45/49/1028284549.db2.gz ZVZXRULZURUWCG-ZFWWWQNUSA-N 1 2 332.473 3.570 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423221113 1028286930 /nfs/dbraw/zinc/28/69/30/1028286930.db2.gz WGNRTTRKWYVRDH-LPMFXHHGSA-N 1 2 344.405 3.678 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000502529590 1028294749 /nfs/dbraw/zinc/29/47/49/1028294749.db2.gz HWOIYBKEOBWTHJ-UHFFFAOYSA-N 1 2 340.442 3.770 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000502529590 1028294764 /nfs/dbraw/zinc/29/47/64/1028294764.db2.gz HWOIYBKEOBWTHJ-UHFFFAOYSA-N 1 2 340.442 3.770 20 0 EHADLO Cc1ccc(O[C@H](C)C(=O)Nc2cc[nH+]c(C)c2)c(Br)c1 ZINC000195629905 1028304097 /nfs/dbraw/zinc/30/40/97/1028304097.db2.gz JGBSGRWSXXKFLU-GFCCVEGCSA-N 1 2 349.228 3.867 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455532181 1028309442 /nfs/dbraw/zinc/30/94/42/1028309442.db2.gz SWGBUOSOFHGSAR-INIZCTEOSA-N 1 2 347.846 3.858 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1F ZINC000137542185 1028319701 /nfs/dbraw/zinc/31/97/01/1028319701.db2.gz CSPUGBGOOKTPQP-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1F ZINC000137542185 1028319718 /nfs/dbraw/zinc/31/97/18/1028319718.db2.gz CSPUGBGOOKTPQP-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc4ccccc4n3)ccc2[nH+]1 ZINC000523419818 1028320243 /nfs/dbraw/zinc/32/02/43/1028320243.db2.gz VVZHLJIVCCLAEV-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@]23CCOC3)cc1OCC ZINC000421404547 1028353197 /nfs/dbraw/zinc/35/31/97/1028353197.db2.gz ZDIRVHBFEWWELU-GOSISDBHSA-N 1 2 339.863 3.892 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@]23CCOC3)cc1OCC ZINC000421404547 1028353215 /nfs/dbraw/zinc/35/32/15/1028353215.db2.gz ZDIRVHBFEWWELU-GOSISDBHSA-N 1 2 339.863 3.892 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000455551906 1028390741 /nfs/dbraw/zinc/39/07/41/1028390741.db2.gz GBOCXOILSAHYGG-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO C[C@H]1CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@H](C)C1 ZINC000523536932 1028404199 /nfs/dbraw/zinc/40/41/99/1028404199.db2.gz UURYAIUFUFIAQH-MDZRGWNJSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000141375498 1028421666 /nfs/dbraw/zinc/42/16/66/1028421666.db2.gz JDDBOKXQYQHRCO-HOTGVXAUSA-N 1 2 334.508 3.599 20 0 EHADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccccc2Cl)c1C ZINC000008172903 1028453787 /nfs/dbraw/zinc/45/37/87/1028453787.db2.gz NNSOWHSKGXLKNV-LLVKDONJSA-N 1 2 348.830 3.605 20 0 EHADLO Cc1[nH]c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)[nH+]c1C ZINC000628185527 1028454069 /nfs/dbraw/zinc/45/40/69/1028454069.db2.gz BWKYUCOWTUSXGE-OAHLLOKOSA-N 1 2 339.361 3.619 20 0 EHADLO CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC000583424432 1028469466 /nfs/dbraw/zinc/46/94/66/1028469466.db2.gz SQSNNIYSUNMILL-HZPDHXFCSA-N 1 2 331.460 3.818 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000071090501 1028474706 /nfs/dbraw/zinc/47/47/06/1028474706.db2.gz ZNRGRSLFTGONHW-NQIIRXRSSA-N 1 2 337.467 3.552 20 0 EHADLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(OC)cc1 ZINC000455563497 1028479863 /nfs/dbraw/zinc/47/98/63/1028479863.db2.gz UAOAWUNZLYEIHZ-GOSISDBHSA-N 1 2 327.428 3.658 20 0 EHADLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(OC)cc1 ZINC000455563503 1028480457 /nfs/dbraw/zinc/48/04/57/1028480457.db2.gz UAOAWUNZLYEIHZ-SFHVURJKSA-N 1 2 327.428 3.658 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c1C ZINC000628188273 1028486477 /nfs/dbraw/zinc/48/64/77/1028486477.db2.gz UVSZRZTUGPEHRR-CYBMUJFWSA-N 1 2 340.254 3.987 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c1C ZINC000628188273 1028486492 /nfs/dbraw/zinc/48/64/92/1028486492.db2.gz UVSZRZTUGPEHRR-CYBMUJFWSA-N 1 2 340.254 3.987 20 0 EHADLO Cc1[nH]c(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH+]c1C ZINC000628188273 1028486509 /nfs/dbraw/zinc/48/65/09/1028486509.db2.gz UVSZRZTUGPEHRR-CYBMUJFWSA-N 1 2 340.254 3.987 20 0 EHADLO Cc1nc(Br)cnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086490 1028501848 /nfs/dbraw/zinc/50/18/48/1028501848.db2.gz QVLMTRFAYZQEKO-UHFFFAOYSA-N 1 2 330.189 3.681 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000246442034 1028511277 /nfs/dbraw/zinc/51/12/77/1028511277.db2.gz ISQXNWNGYDDOLY-BPQIPLTHSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000246442034 1028511289 /nfs/dbraw/zinc/51/12/89/1028511289.db2.gz ISQXNWNGYDDOLY-BPQIPLTHSA-N 1 2 346.858 3.657 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508518092 1028520791 /nfs/dbraw/zinc/52/07/91/1028520791.db2.gz LNMBECLGDREGCK-JTDSTZFVSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508518092 1028520807 /nfs/dbraw/zinc/52/08/07/1028520807.db2.gz LNMBECLGDREGCK-JTDSTZFVSA-N 1 2 332.488 3.882 20 0 EHADLO Cc1cc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)[nH+]1 ZINC000421562761 1028538789 /nfs/dbraw/zinc/53/87/89/1028538789.db2.gz VXUJAWLOQPFIKW-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162281038 1028550986 /nfs/dbraw/zinc/55/09/86/1028550986.db2.gz YIIFXEOQTXKUNT-GFCCVEGCSA-N 1 2 340.414 3.571 20 0 EHADLO Cc1cc(Br)cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421574748 1028566950 /nfs/dbraw/zinc/56/69/50/1028566950.db2.gz HIKDLAZNDCBWGW-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1cc(CNC(=O)Cc2ccc(OCC(C)C)cc2)cc(C)[nH+]1 ZINC000421573549 1028567922 /nfs/dbraw/zinc/56/79/22/1028567922.db2.gz BESQFSGRZQCYRP-UHFFFAOYSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+]Cc3cccnc3)cs2)cc1 ZINC000073696835 1028573075 /nfs/dbraw/zinc/57/30/75/1028573075.db2.gz HBMRKYVPZGGCPX-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(C)c(Br)c2)cc(C)[nH+]1 ZINC000421577973 1028573031 /nfs/dbraw/zinc/57/30/31/1028573031.db2.gz QDURUXCILFHIIB-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CC1(C)C[C@H](NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c2ccccc21 ZINC000423751996 1028597737 /nfs/dbraw/zinc/59/77/37/1028597737.db2.gz AMOGPVJQSFNATN-RDJZCZTQSA-N 1 2 330.378 3.503 20 0 EHADLO COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccn2cc[nH+]c2c1 ZINC001204959865 1028600336 /nfs/dbraw/zinc/60/03/36/1028600336.db2.gz YGZQDJHBEMVXPC-UHFFFAOYSA-N 1 2 337.166 3.566 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1nc(-c2cccc(F)c2)no1 ZINC000237447647 1028650282 /nfs/dbraw/zinc/65/02/82/1028650282.db2.gz NDGIIUVCKUPRDK-LLVKDONJSA-N 1 2 337.358 3.603 20 0 EHADLO Cc1ncccc1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000237612441 1028659771 /nfs/dbraw/zinc/65/97/71/1028659771.db2.gz ONFQFBOODRDZRL-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1 ZINC000421694997 1028686959 /nfs/dbraw/zinc/68/69/59/1028686959.db2.gz UDJFQQUKPDLPRC-UHFFFAOYSA-N 1 2 341.455 3.599 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000091810745 1028750050 /nfs/dbraw/zinc/75/00/50/1028750050.db2.gz CYOVCTFKTSSKRQ-AWEZNQCLSA-N 1 2 343.324 3.612 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000278069066 1028764100 /nfs/dbraw/zinc/76/41/00/1028764100.db2.gz VRBBPIBEXMQAPC-UHFFFAOYSA-N 1 2 338.238 3.763 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CCCOCC2)cc1OCC ZINC000510521105 1028772379 /nfs/dbraw/zinc/77/23/79/1028772379.db2.gz CFVXKWVGQSFNGZ-UHFFFAOYSA-N 1 2 327.852 3.750 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CCCOCC2)cc1OCC ZINC000510521105 1028772393 /nfs/dbraw/zinc/77/23/93/1028772393.db2.gz CFVXKWVGQSFNGZ-UHFFFAOYSA-N 1 2 327.852 3.750 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122955625 1028779386 /nfs/dbraw/zinc/77/93/86/1028779386.db2.gz VRXYJTDHHICCDI-SIKCBANDSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000583087401 1028780714 /nfs/dbraw/zinc/78/07/14/1028780714.db2.gz UEXIFARPYUBBKK-KDOFPFPSSA-N 1 2 327.403 3.726 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C ZINC000502889625 1028785417 /nfs/dbraw/zinc/78/54/17/1028785417.db2.gz RXNZHJWKBJPIHQ-HEHGZKQESA-N 1 2 333.476 3.673 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245542977 1028793558 /nfs/dbraw/zinc/79/35/58/1028793558.db2.gz QLIMSELVZKAFBV-RHSMWYFYSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245542977 1028793571 /nfs/dbraw/zinc/79/35/71/1028793571.db2.gz QLIMSELVZKAFBV-RHSMWYFYSA-N 1 2 343.496 3.672 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247672838 1028809643 /nfs/dbraw/zinc/80/96/43/1028809643.db2.gz RBAHTOSXJMLZFN-WDSOQIARSA-N 1 2 325.456 3.877 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000424122536 1028816372 /nfs/dbraw/zinc/81/63/72/1028816372.db2.gz GYMWXIQRMOPBFI-NXEZZACHSA-N 1 2 349.422 3.602 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247791347 1028819433 /nfs/dbraw/zinc/81/94/33/1028819433.db2.gz ZDJOAHIOJMNIGI-GPMSIDNRSA-N 1 2 343.446 3.701 20 0 EHADLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(O)c1 ZINC000532779610 1028825055 /nfs/dbraw/zinc/82/50/55/1028825055.db2.gz KYNZAHVOWAUCGE-UHFFFAOYSA-N 1 2 330.334 3.957 20 0 EHADLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(O)c1 ZINC000532779610 1028825064 /nfs/dbraw/zinc/82/50/64/1028825064.db2.gz KYNZAHVOWAUCGE-UHFFFAOYSA-N 1 2 330.334 3.957 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@H](C)SCC)no2)C12CCC2 ZINC000247987182 1028837074 /nfs/dbraw/zinc/83/70/74/1028837074.db2.gz IYLGHENJEKHYOB-BFHYXJOUSA-N 1 2 339.505 3.663 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@H](C)SCC)no2)C12CCC2 ZINC000247987182 1028837086 /nfs/dbraw/zinc/83/70/86/1028837086.db2.gz IYLGHENJEKHYOB-BFHYXJOUSA-N 1 2 339.505 3.663 20 0 EHADLO Cc1cc(C)cc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445486172 1028849852 /nfs/dbraw/zinc/84/98/52/1028849852.db2.gz JEGMRYOUDMOSLJ-XMMPIXPASA-N 1 2 338.476 3.997 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000458792731 1028853666 /nfs/dbraw/zinc/85/36/66/1028853666.db2.gz AJGWTRRONLEYJP-INIZCTEOSA-N 1 2 332.835 3.510 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000248176002 1028854904 /nfs/dbraw/zinc/85/49/04/1028854904.db2.gz VOICYSJNCMNSIO-BFQNTYOBSA-N 1 2 327.494 3.519 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000248176002 1028854920 /nfs/dbraw/zinc/85/49/20/1028854920.db2.gz VOICYSJNCMNSIO-BFQNTYOBSA-N 1 2 327.494 3.519 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000583113150 1028862265 /nfs/dbraw/zinc/86/22/65/1028862265.db2.gz YTFGRUOOZHKPIA-JTQLQIEISA-N 1 2 336.304 3.621 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000583113150 1028862279 /nfs/dbraw/zinc/86/22/79/1028862279.db2.gz YTFGRUOOZHKPIA-JTQLQIEISA-N 1 2 336.304 3.621 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCCC[C@H]1c1ccccc1 ZINC000079565960 1028875935 /nfs/dbraw/zinc/87/59/35/1028875935.db2.gz GBTXZNOSDGJOFA-SFHVURJKSA-N 1 2 326.444 3.600 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)s1 ZINC000424196346 1028881937 /nfs/dbraw/zinc/88/19/37/1028881937.db2.gz FRHYARBPMFCZFS-LBPRGKRZSA-N 1 2 346.452 3.569 20 0 EHADLO O=[S@@](CCCc1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445537515 1028900308 /nfs/dbraw/zinc/90/03/08/1028900308.db2.gz HLDXJKDYDLCIOB-DEOSSOPVSA-N 1 2 338.476 3.813 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603129 1028912884 /nfs/dbraw/zinc/91/28/84/1028912884.db2.gz PSQLMBIITHYRGM-JKSUJKDBSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603129 1028912896 /nfs/dbraw/zinc/91/28/96/1028912896.db2.gz PSQLMBIITHYRGM-JKSUJKDBSA-N 1 2 336.794 3.637 20 0 EHADLO Cn1ccc2c1cccc2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000524165122 1028932503 /nfs/dbraw/zinc/93/25/03/1028932503.db2.gz RSUNNWSETFIWGX-UHFFFAOYSA-N 1 2 330.391 3.675 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000367228014 1028938065 /nfs/dbraw/zinc/93/80/65/1028938065.db2.gz DFZDFISWBDZOPJ-UHFFFAOYSA-N 1 2 333.435 3.993 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000367228014 1028938071 /nfs/dbraw/zinc/93/80/71/1028938071.db2.gz DFZDFISWBDZOPJ-UHFFFAOYSA-N 1 2 333.435 3.993 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000248873722 1028959638 /nfs/dbraw/zinc/95/96/38/1028959638.db2.gz QVPSLECVBWQYSB-ZWOKBUDYSA-N 1 2 337.467 3.521 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000248885610 1028960911 /nfs/dbraw/zinc/96/09/11/1028960911.db2.gz QRSRKZRNIDTPEX-MGPUTAFESA-N 1 2 345.450 3.717 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000248885610 1028960927 /nfs/dbraw/zinc/96/09/27/1028960927.db2.gz QRSRKZRNIDTPEX-MGPUTAFESA-N 1 2 345.450 3.717 20 0 EHADLO COc1sc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1Br ZINC000449575700 1028981738 /nfs/dbraw/zinc/98/17/38/1028981738.db2.gz YQDTZBTVLZAMBZ-KWQFWETISA-N 1 2 342.262 3.511 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000504840863 1028986161 /nfs/dbraw/zinc/98/61/61/1028986161.db2.gz XPIJNFAYXDBXLP-MRXNPFEDSA-N 1 2 340.492 3.954 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000504840863 1028986173 /nfs/dbraw/zinc/98/61/73/1028986173.db2.gz XPIJNFAYXDBXLP-MRXNPFEDSA-N 1 2 340.492 3.954 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123699085 1029001065 /nfs/dbraw/zinc/00/10/65/1029001065.db2.gz ZOFJYKXKNPMWIE-JSGCOSHPSA-N 1 2 337.876 3.640 20 0 EHADLO CCc1cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cs1 ZINC001271811709 1029011689 /nfs/dbraw/zinc/01/16/89/1029011689.db2.gz SQTNQOQIHGHWMZ-UHFFFAOYSA-N 1 2 346.418 3.553 20 0 EHADLO CCc1cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cs1 ZINC001271811709 1029011701 /nfs/dbraw/zinc/01/17/01/1029011701.db2.gz SQTNQOQIHGHWMZ-UHFFFAOYSA-N 1 2 346.418 3.553 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000347376907 1029023555 /nfs/dbraw/zinc/02/35/55/1029023555.db2.gz VMQBRLUWZGZFNC-BEFAXECRSA-N 1 2 347.480 3.988 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000347376907 1029023560 /nfs/dbraw/zinc/02/35/60/1029023560.db2.gz VMQBRLUWZGZFNC-BEFAXECRSA-N 1 2 347.480 3.988 20 0 EHADLO CC1(C)Oc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2O1 ZINC000053279699 1029025830 /nfs/dbraw/zinc/02/58/30/1029025830.db2.gz IBECPSXOKPKOKU-UHFFFAOYSA-N 1 2 335.363 3.632 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000076727631 1029040426 /nfs/dbraw/zinc/04/04/26/1029040426.db2.gz URCPIQUDQHMNMC-SJKOYZFVSA-N 1 2 333.407 3.937 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000532926686 1029049205 /nfs/dbraw/zinc/04/92/05/1029049205.db2.gz VAGGDQCCLUGHMT-HUUCEWRRSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000532926686 1029049223 /nfs/dbraw/zinc/04/92/23/1029049223.db2.gz VAGGDQCCLUGHMT-HUUCEWRRSA-N 1 2 326.440 3.666 20 0 EHADLO Cc1ccccc1C(NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1C ZINC000504947137 1029078226 /nfs/dbraw/zinc/07/82/26/1029078226.db2.gz CSLMQGSWMCCDON-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[nH]c2c1 ZINC000077277696 1029092485 /nfs/dbraw/zinc/09/24/85/1029092485.db2.gz AFGDXRSTORNLCG-UHFFFAOYSA-N 1 2 348.450 3.792 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000569622130 1029098338 /nfs/dbraw/zinc/09/83/38/1029098338.db2.gz WALRPYGVXUIKHA-AWEZNQCLSA-N 1 2 326.444 3.606 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000569622130 1029098357 /nfs/dbraw/zinc/09/83/57/1029098357.db2.gz WALRPYGVXUIKHA-AWEZNQCLSA-N 1 2 326.444 3.606 20 0 EHADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](c2cccnc2)C2CC2)o1 ZINC000445809921 1029146293 /nfs/dbraw/zinc/14/62/93/1029146293.db2.gz JEHYRVFVKZHJBR-FQEVSTJZSA-N 1 2 334.423 3.605 20 0 EHADLO c1cc([C@@H]2CN(Cc3c[nH+]cn3Cc3ccccc3)CCO2)cs1 ZINC000445819032 1029159044 /nfs/dbraw/zinc/15/90/44/1029159044.db2.gz NTUIVFZBVAHTAR-IBGZPJMESA-N 1 2 339.464 3.566 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)nnn1-c1ccc(Cl)cc1 ZINC000154428708 1029184192 /nfs/dbraw/zinc/18/41/92/1029184192.db2.gz GYOJEINHNFPVIF-GFCCVEGCSA-N 1 2 342.830 3.786 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccncc1F ZINC000078085292 1029196967 /nfs/dbraw/zinc/19/69/67/1029196967.db2.gz DPWGYTLUNQVCEE-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000505106586 1029245643 /nfs/dbraw/zinc/24/56/43/1029245643.db2.gz BBRACAACNCJZIU-LPHOPBHVSA-N 1 2 342.487 3.921 20 0 EHADLO Clc1cnn(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000067710419 1029256135 /nfs/dbraw/zinc/25/61/35/1029256135.db2.gz OCZRKPQCTHHNHV-UHFFFAOYSA-N 1 2 332.860 3.983 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccs1 ZINC000533089752 1029317596 /nfs/dbraw/zinc/31/75/96/1029317596.db2.gz LOFKVZJNGRFUGI-XJKSGUPXSA-N 1 2 340.558 3.779 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)n2)cc1 ZINC000237450885 1029323232 /nfs/dbraw/zinc/32/32/32/1029323232.db2.gz IEFBYKMKJFGZFH-IFXJQAMLSA-N 1 2 337.423 3.887 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000533121591 1029325664 /nfs/dbraw/zinc/32/56/64/1029325664.db2.gz ZYZRWMMTQYLEFC-UHFFFAOYSA-N 1 2 335.407 3.969 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535969909 1029336070 /nfs/dbraw/zinc/33/60/70/1029336070.db2.gz CPNKKTILLWWXCP-HNNXBMFYSA-N 1 2 342.443 3.537 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCN1c1ccccc1 ZINC000475988691 1029349355 /nfs/dbraw/zinc/34/93/55/1029349355.db2.gz URLSMCASFWJQFL-KXBFYZLASA-N 1 2 346.434 3.930 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC[C@H](C)CC)CC2)cc1 ZINC000505201487 1029351670 /nfs/dbraw/zinc/35/16/70/1029351670.db2.gz UHGKGKVGDQKIRP-QGZVFWFLSA-N 1 2 332.488 3.556 20 0 EHADLO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000446065458 1029358172 /nfs/dbraw/zinc/35/81/72/1029358172.db2.gz YBKYIYACUFRJIH-LBPRGKRZSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1sc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000446065458 1029358183 /nfs/dbraw/zinc/35/81/83/1029358183.db2.gz YBKYIYACUFRJIH-LBPRGKRZSA-N 1 2 332.444 3.639 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475639901 1029375305 /nfs/dbraw/zinc/37/53/05/1029375305.db2.gz QTPMBVAKWHCCTH-GOEBONIOSA-N 1 2 347.352 3.614 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475639901 1029375316 /nfs/dbraw/zinc/37/53/16/1029375316.db2.gz QTPMBVAKWHCCTH-GOEBONIOSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@H](C)[C@@H](C)O1 ZINC000446077144 1029393641 /nfs/dbraw/zinc/39/36/41/1029393641.db2.gz ISVPDZNAVQLHOE-BZUAXINKSA-N 1 2 344.430 3.797 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@H](C)[C@@H](C)O1 ZINC000446077144 1029393661 /nfs/dbraw/zinc/39/36/61/1029393661.db2.gz ISVPDZNAVQLHOE-BZUAXINKSA-N 1 2 344.430 3.797 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)cc2OC(F)F)c[nH+]1 ZINC000454875293 1029422072 /nfs/dbraw/zinc/42/20/72/1029422072.db2.gz VWGQFZHXIABZQS-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO Cc1sc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1Br ZINC000424897442 1029427352 /nfs/dbraw/zinc/42/73/52/1029427352.db2.gz VSOWRTHYCZRHOE-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO CC(C)(C)/C=C/c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000116606994 1029429766 /nfs/dbraw/zinc/42/97/66/1029429766.db2.gz VFKYOOZIQFUULK-BQYQJAHWSA-N 1 2 327.428 3.628 20 0 EHADLO Cc1c2cc(C)ccc2sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000446160325 1029458609 /nfs/dbraw/zinc/45/86/09/1029458609.db2.gz FXLVYNHMRQHZJB-ZDUSSCGKSA-N 1 2 327.453 3.781 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454929885 1029468180 /nfs/dbraw/zinc/46/81/80/1029468180.db2.gz RFPJSMVAIJLFEL-KBPBESRZSA-N 1 2 343.858 3.851 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc(C)c1F ZINC000343145084 1029469172 /nfs/dbraw/zinc/46/91/72/1029469172.db2.gz YZXQQKARXHVAFY-UHFFFAOYSA-N 1 2 337.398 3.617 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000078900903 1029499311 /nfs/dbraw/zinc/49/93/11/1029499311.db2.gz AOCGIZUGDXYJOM-CQSZACIVSA-N 1 2 327.428 3.968 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000078900903 1029499324 /nfs/dbraw/zinc/49/93/24/1029499324.db2.gz AOCGIZUGDXYJOM-CQSZACIVSA-N 1 2 327.428 3.968 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000272565027 1029515293 /nfs/dbraw/zinc/51/52/93/1029515293.db2.gz CIOJSBVIMJVGLZ-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000272565027 1029515298 /nfs/dbraw/zinc/51/52/98/1029515298.db2.gz CIOJSBVIMJVGLZ-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000155408669 1029518515 /nfs/dbraw/zinc/51/85/15/1029518515.db2.gz DGMKQHHOTQYETC-HZPDHXFCSA-N 1 2 341.455 3.535 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000155408669 1029518527 /nfs/dbraw/zinc/51/85/27/1029518527.db2.gz DGMKQHHOTQYETC-HZPDHXFCSA-N 1 2 341.455 3.535 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1C2CCC1CC2 ZINC000533237219 1029520188 /nfs/dbraw/zinc/52/01/88/1029520188.db2.gz FOPPIPVZRURRDU-LMWSTFAQSA-N 1 2 326.396 3.589 20 0 EHADLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cnc(N)s1 ZINC000261904898 1029527848 /nfs/dbraw/zinc/52/78/48/1029527848.db2.gz WTOWDOHMMCHZEE-SECBINFHSA-N 1 2 326.263 3.681 20 0 EHADLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cnc(N)s1 ZINC000261904898 1029527855 /nfs/dbraw/zinc/52/78/55/1029527855.db2.gz WTOWDOHMMCHZEE-SECBINFHSA-N 1 2 326.263 3.681 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000524811153 1029529476 /nfs/dbraw/zinc/52/94/76/1029529476.db2.gz BPALQHABQQSTJM-WMLDXEAASA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000524811153 1029529486 /nfs/dbraw/zinc/52/94/86/1029529486.db2.gz BPALQHABQQSTJM-WMLDXEAASA-N 1 2 339.863 3.835 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000446254017 1029531994 /nfs/dbraw/zinc/53/19/94/1029531994.db2.gz WQLZTAXDWUQGOU-INIZCTEOSA-N 1 2 332.492 3.932 20 0 EHADLO c1coc([C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)N2CCCC2)c1 ZINC000125505244 1029533531 /nfs/dbraw/zinc/53/35/31/1029533531.db2.gz WVIBRBUQRWKEQU-IEBWSBKVSA-N 1 2 336.439 3.519 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)oc21 ZINC000272623704 1029538091 /nfs/dbraw/zinc/53/80/91/1029538091.db2.gz JCXFHTCOSDFUEK-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)oc21 ZINC000272623704 1029538101 /nfs/dbraw/zinc/53/81/01/1029538101.db2.gz JCXFHTCOSDFUEK-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434285500 1029557539 /nfs/dbraw/zinc/55/75/39/1029557539.db2.gz CEFMMDXYWAZJOW-UHFFFAOYSA-N 1 2 331.847 3.792 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434285500 1029557553 /nfs/dbraw/zinc/55/75/53/1029557553.db2.gz CEFMMDXYWAZJOW-UHFFFAOYSA-N 1 2 331.847 3.792 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434285367 1029558843 /nfs/dbraw/zinc/55/88/43/1029558843.db2.gz FFVZCAWWONXFMB-UHFFFAOYSA-N 1 2 347.846 3.628 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434285367 1029558848 /nfs/dbraw/zinc/55/88/48/1029558848.db2.gz FFVZCAWWONXFMB-UHFFFAOYSA-N 1 2 347.846 3.628 20 0 EHADLO Cc1ccccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272691760 1029567526 /nfs/dbraw/zinc/56/75/26/1029567526.db2.gz UOOQGMSCCBJCOR-SFHVURJKSA-N 1 2 335.407 3.619 20 0 EHADLO Cc1ccccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272691760 1029567534 /nfs/dbraw/zinc/56/75/34/1029567534.db2.gz UOOQGMSCCBJCOR-SFHVURJKSA-N 1 2 335.407 3.619 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC4)C3)n2)C1 ZINC000343162409 1029575447 /nfs/dbraw/zinc/57/54/47/1029575447.db2.gz YTFTVSNNHKWUEA-UKRRQHHQSA-N 1 2 348.516 3.639 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC4)C3)n2)C1 ZINC000343162409 1029575454 /nfs/dbraw/zinc/57/54/54/1029575454.db2.gz YTFTVSNNHKWUEA-UKRRQHHQSA-N 1 2 348.516 3.639 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000272706971 1029575770 /nfs/dbraw/zinc/57/57/70/1029575770.db2.gz BUTUAHNXYLEKNN-UHFFFAOYSA-N 1 2 345.333 3.625 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)C3CCCCC3)cn2c1 ZINC000583294950 1029585244 /nfs/dbraw/zinc/58/52/44/1029585244.db2.gz IFWDDUOVVOGUKS-OAHLLOKOSA-N 1 2 345.512 3.961 20 0 EHADLO CC[C@H](C)CN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455103028 1029628009 /nfs/dbraw/zinc/62/80/09/1029628009.db2.gz FFAYBUPIDHNFNS-ZDUSSCGKSA-N 1 2 334.851 3.713 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000155714199 1029629425 /nfs/dbraw/zinc/62/94/25/1029629425.db2.gz WBCOZCLFVCJNEP-PKOBYXMFSA-N 1 2 337.467 3.763 20 0 EHADLO CCCOc1cc(C)ccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000446405743 1029633770 /nfs/dbraw/zinc/63/37/70/1029633770.db2.gz MMNLHVQCYOEDIT-UHFFFAOYSA-N 1 2 349.434 3.900 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2C1 ZINC000125943928 1029637893 /nfs/dbraw/zinc/63/78/93/1029637893.db2.gz BOTQGCFKSNJTRC-IJEWVQPXSA-N 1 2 343.496 3.793 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000524968920 1029639019 /nfs/dbraw/zinc/63/90/19/1029639019.db2.gz FOGBBVUWMHSSNQ-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000155810143 1029664460 /nfs/dbraw/zinc/66/44/60/1029664460.db2.gz ONKFHCXNRCRHHX-INIZCTEOSA-N 1 2 339.483 3.634 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000583357891 1029697530 /nfs/dbraw/zinc/69/75/30/1029697530.db2.gz CLPDRJGFMAURCQ-UHFFFAOYSA-N 1 2 334.423 3.601 20 0 EHADLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1 ZINC000048978428 1029732493 /nfs/dbraw/zinc/73/24/93/1029732493.db2.gz MOJVICZLAFVZGE-UHFFFAOYSA-N 1 2 339.464 3.929 20 0 EHADLO CSC[C@H]([NH2+]Cc1ncccn1)c1ccc(C(F)(F)F)cc1 ZINC000566501405 1029735682 /nfs/dbraw/zinc/73/56/82/1029735682.db2.gz QQQGSQGLIUVLSH-ZDUSSCGKSA-N 1 2 327.375 3.689 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156097173 1029750328 /nfs/dbraw/zinc/75/03/28/1029750328.db2.gz DZFVLIJRYBIOTB-QGZVFWFLSA-N 1 2 347.418 3.554 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000647289702 1029767396 /nfs/dbraw/zinc/76/73/96/1029767396.db2.gz DYNVQWJYVRKRTM-UZLBHIALSA-N 1 2 335.455 3.508 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428628705 1029775981 /nfs/dbraw/zinc/77/59/81/1029775981.db2.gz YSHYLDOVPVEBSL-SJORKVTESA-N 1 2 332.492 3.576 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000525640873 1029786933 /nfs/dbraw/zinc/78/69/33/1029786933.db2.gz GVTHHUZAWQNBJU-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000525640873 1029786934 /nfs/dbraw/zinc/78/69/34/1029786934.db2.gz GVTHHUZAWQNBJU-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000446830145 1029811942 /nfs/dbraw/zinc/81/19/42/1029811942.db2.gz OZGLZAJXARTHIT-UHFFFAOYSA-N 1 2 335.492 3.798 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1-c1noc([C@@H]2CC[NH2+]CC2(F)F)n1 ZINC001211580405 1029823916 /nfs/dbraw/zinc/82/39/16/1029823916.db2.gz PTNHQCLFRLOQBP-NSHDSACASA-N 1 2 347.287 3.776 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)n2)CC1 ZINC000448769831 1029858664 /nfs/dbraw/zinc/85/86/64/1029858664.db2.gz JIQZRKPBMMVION-VXGBXAGGSA-N 1 2 347.406 3.512 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127303883 1029862216 /nfs/dbraw/zinc/86/22/16/1029862216.db2.gz HMZOVLFQFLFSFK-ZFWWWQNUSA-N 1 2 330.457 3.720 20 0 EHADLO COc1cc(Cl)c(C[NH+]2CCC(O)(C(F)F)CC2)cc1Cl ZINC000428463392 1029886041 /nfs/dbraw/zinc/88/60/41/1029886041.db2.gz NGLVJNCGSGLFTR-UHFFFAOYSA-N 1 2 340.197 3.594 20 0 EHADLO C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442591 1029887328 /nfs/dbraw/zinc/88/73/28/1029887328.db2.gz FYJCDNAYJHYGBA-CQSZACIVSA-N 1 2 339.370 3.555 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2c(cccc2F)[nH]1 ZINC000080442429 1029888202 /nfs/dbraw/zinc/88/82/02/1029888202.db2.gz PMUBKPPWOIRSJG-UHFFFAOYSA-N 1 2 338.317 3.884 20 0 EHADLO CC(C)c1cc(N(C)Cc2cn3c([nH+]2)CCCC3)nc(C(C)C)n1 ZINC000428676221 1029890239 /nfs/dbraw/zinc/89/02/39/1029890239.db2.gz BMODRNANQDLFAI-UHFFFAOYSA-N 1 2 327.476 3.893 20 0 EHADLO Cc1ccc(C(F)(F)F)c(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000667946343 1029928239 /nfs/dbraw/zinc/92/82/39/1029928239.db2.gz GXPPGBJJWMPPIR-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)cn1 ZINC000537626834 1029931212 /nfs/dbraw/zinc/93/12/12/1029931212.db2.gz FVDBNMXPNMCOTI-UHFFFAOYSA-N 1 2 343.862 3.683 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)cn1 ZINC000537626834 1029931232 /nfs/dbraw/zinc/93/12/32/1029931232.db2.gz FVDBNMXPNMCOTI-UHFFFAOYSA-N 1 2 343.862 3.683 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000120321694 1029964305 /nfs/dbraw/zinc/96/43/05/1029964305.db2.gz RHVVXOBJMGEFMM-ZWKOTPCHSA-N 1 2 345.874 3.884 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000120321694 1029964317 /nfs/dbraw/zinc/96/43/17/1029964317.db2.gz RHVVXOBJMGEFMM-ZWKOTPCHSA-N 1 2 345.874 3.884 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ncc(Cc3cccc(F)c3)s2)CC1 ZINC000531878310 1029964428 /nfs/dbraw/zinc/96/44/28/1029964428.db2.gz WOHDSLOGEGHUCB-UHFFFAOYSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000537628717 1030039790 /nfs/dbraw/zinc/03/97/90/1030039790.db2.gz ZDYOQDKZVDRIIM-JOCHJYFZSA-N 1 2 345.446 3.891 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000537628717 1030039808 /nfs/dbraw/zinc/03/98/08/1030039808.db2.gz ZDYOQDKZVDRIIM-JOCHJYFZSA-N 1 2 345.446 3.891 20 0 EHADLO CCCCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000120522046 1030042054 /nfs/dbraw/zinc/04/20/54/1030042054.db2.gz QJMZYTUKZSDNGC-UHFFFAOYSA-N 1 2 332.492 3.661 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nnc3ccccn32)c(Br)c1 ZINC000157748814 1030042822 /nfs/dbraw/zinc/04/28/22/1030042822.db2.gz QFFARUKFGMAXPC-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO CCCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000171374371 1030050170 /nfs/dbraw/zinc/05/01/70/1030050170.db2.gz PJCZBLVKDFSXIQ-HZPDHXFCSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245484573 1030098616 /nfs/dbraw/zinc/09/86/16/1030098616.db2.gz HRDMERBJEONJNT-OWCLPIDISA-N 1 2 326.444 3.621 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000600644710 1030102019 /nfs/dbraw/zinc/10/20/19/1030102019.db2.gz ICTVOVOBRHCEOU-SFHVURJKSA-N 1 2 328.437 3.709 20 0 EHADLO C[C@H](CC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000565049735 1030127633 /nfs/dbraw/zinc/12/76/33/1030127633.db2.gz TYHSJDJPIRVQSD-VKJFTORMSA-N 1 2 329.469 3.539 20 0 EHADLO CC(C)N(Cc1cccnc1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000058982092 1030151394 /nfs/dbraw/zinc/15/13/94/1030151394.db2.gz XXJXGFXQVOIHNX-JXMROGBWSA-N 1 2 346.434 3.718 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000453365381 1030181105 /nfs/dbraw/zinc/18/11/05/1030181105.db2.gz NDBYSRMNDMYWHK-SNVBAGLBSA-N 1 2 326.318 3.682 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(C(=O)c2ccccc2)c1)n1cc[nH+]c1 ZINC001125682046 1030197443 /nfs/dbraw/zinc/19/74/43/1030197443.db2.gz FPHZEAJWYQAVPF-HNNXBMFYSA-N 1 2 333.391 3.704 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c(F)c1 ZINC000657773171 1030228129 /nfs/dbraw/zinc/22/81/29/1030228129.db2.gz MWTNYPJHQLAFNH-OAHLLOKOSA-N 1 2 344.213 3.964 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccn(C2CCCCC2)n1 ZINC000525924738 1030228415 /nfs/dbraw/zinc/22/84/15/1030228415.db2.gz BYPBBJKCHHJTDH-UHFFFAOYSA-N 1 2 335.411 3.826 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000121266441 1030228718 /nfs/dbraw/zinc/22/87/18/1030228718.db2.gz NAMNPXSVBANKLR-MRXNPFEDSA-N 1 2 343.496 3.514 20 0 EHADLO CC(C)n1nccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657772850 1030243838 /nfs/dbraw/zinc/24/38/38/1030243838.db2.gz JCCFFAHXHTXVQV-AWEZNQCLSA-N 1 2 328.243 3.594 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000154116277 1030279534 /nfs/dbraw/zinc/27/95/34/1030279534.db2.gz WHVUGZMNOWQHKU-FUHWJXTLSA-N 1 2 332.492 3.836 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000583638803 1030341195 /nfs/dbraw/zinc/34/11/95/1030341195.db2.gz KCYAPMOVYFTWBO-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000583638803 1030341212 /nfs/dbraw/zinc/34/12/12/1030341212.db2.gz KCYAPMOVYFTWBO-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000925253075 1030452328 /nfs/dbraw/zinc/45/23/28/1030452328.db2.gz CHCPRXJLFCOVEV-DOTOQJQBSA-N 1 2 328.460 3.951 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)C[C@H]1OCCc2ccccc21 ZINC000447745348 1030465086 /nfs/dbraw/zinc/46/50/86/1030465086.db2.gz NGARGDHJDBSMEY-CQSZACIVSA-N 1 2 342.386 3.908 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)C[C@H]1OCCc2ccccc21 ZINC000447745348 1030465092 /nfs/dbraw/zinc/46/50/92/1030465092.db2.gz NGARGDHJDBSMEY-CQSZACIVSA-N 1 2 342.386 3.908 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829375 1030518454 /nfs/dbraw/zinc/51/84/54/1030518454.db2.gz SJJZNIBEMWYGGK-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829375 1030518466 /nfs/dbraw/zinc/51/84/66/1030518466.db2.gz SJJZNIBEMWYGGK-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000447831866 1030520993 /nfs/dbraw/zinc/52/09/93/1030520993.db2.gz PAIINWSLJXLZES-HXUWFJFHSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000447831866 1030521010 /nfs/dbraw/zinc/52/10/10/1030521010.db2.gz PAIINWSLJXLZES-HXUWFJFHSA-N 1 2 340.467 3.908 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)cc2o1 ZINC000526975945 1030533347 /nfs/dbraw/zinc/53/33/47/1030533347.db2.gz VOYPQYGQFLUDDT-GFCCVEGCSA-N 1 2 338.411 3.726 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)cc2o1 ZINC000526975945 1030533353 /nfs/dbraw/zinc/53/33/53/1030533353.db2.gz VOYPQYGQFLUDDT-GFCCVEGCSA-N 1 2 338.411 3.726 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c[nH+]1 ZINC000668072965 1030534751 /nfs/dbraw/zinc/53/47/51/1030534751.db2.gz PUBHEFNFVKBAKI-MRXNPFEDSA-N 1 2 347.365 3.807 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C(C)C)C2 ZINC000526995177 1030557190 /nfs/dbraw/zinc/55/71/90/1030557190.db2.gz AJYVNIFJCILJSX-OWCLPIDISA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C(C)C)CC2 ZINC000526995177 1030557191 /nfs/dbraw/zinc/55/71/91/1030557191.db2.gz AJYVNIFJCILJSX-OWCLPIDISA-N 1 2 331.504 3.969 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000532348161 1030574958 /nfs/dbraw/zinc/57/49/58/1030574958.db2.gz LCQQWYYEAUTTHF-OGHNNQOOSA-N 1 2 348.397 3.515 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236191 1030577028 /nfs/dbraw/zinc/57/70/28/1030577028.db2.gz YGJIPEFWOJMLIG-FXAWDEMLSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236191 1030577036 /nfs/dbraw/zinc/57/70/36/1030577036.db2.gz YGJIPEFWOJMLIG-FXAWDEMLSA-N 1 2 339.483 3.978 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000583735445 1030582920 /nfs/dbraw/zinc/58/29/20/1030582920.db2.gz BVDIMONEMFBCPM-CYBMUJFWSA-N 1 2 340.452 3.501 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1nnc2n1CCCCC2 ZINC000532366570 1030590373 /nfs/dbraw/zinc/59/03/73/1030590373.db2.gz UHFFKKRAGZBTLT-GFCCVEGCSA-N 1 2 331.489 3.579 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000447938696 1030594605 /nfs/dbraw/zinc/59/46/05/1030594605.db2.gz GZTJCQOJPNWAFS-NSHDSACASA-N 1 2 345.468 3.622 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)N1c1ccccc1 ZINC000447943514 1030597464 /nfs/dbraw/zinc/59/74/64/1030597464.db2.gz KBNRDSUXLCGVKT-UKRRQHHQSA-N 1 2 343.496 3.724 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000193741320 1030605497 /nfs/dbraw/zinc/60/54/97/1030605497.db2.gz WAOPLAKXYTVKFA-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000093413694 1030608676 /nfs/dbraw/zinc/60/86/76/1030608676.db2.gz UVTRDNLMRSCICZ-OAHLLOKOSA-N 1 2 335.469 3.592 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000093413694 1030608681 /nfs/dbraw/zinc/60/86/81/1030608681.db2.gz UVTRDNLMRSCICZ-OAHLLOKOSA-N 1 2 335.469 3.592 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cccc(Br)n1)c1ccc(C)o1 ZINC000925203487 1030617814 /nfs/dbraw/zinc/61/78/14/1030617814.db2.gz IDIVFYYRERSGCO-YPMHNXCESA-N 1 2 339.233 3.784 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1ccc(C)o1 ZINC000925203484 1030618495 /nfs/dbraw/zinc/61/84/95/1030618495.db2.gz IDIVFYYRERSGCO-WCQYABFASA-N 1 2 339.233 3.784 20 0 EHADLO COc1ccc(OC2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000532368760 1030619575 /nfs/dbraw/zinc/61/95/75/1030619575.db2.gz OEVLMEDPFXTBDQ-UHFFFAOYSA-N 1 2 341.455 3.965 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000194007205 1030639142 /nfs/dbraw/zinc/63/91/42/1030639142.db2.gz AIYDMBICXMODCG-OAHLLOKOSA-N 1 2 330.863 3.516 20 0 EHADLO C=Cn1cc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000194007205 1030639154 /nfs/dbraw/zinc/63/91/54/1030639154.db2.gz AIYDMBICXMODCG-OAHLLOKOSA-N 1 2 330.863 3.516 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000093637749 1030645067 /nfs/dbraw/zinc/64/50/67/1030645067.db2.gz VHBRLBLKZOLSRF-HXUWFJFHSA-N 1 2 342.414 3.666 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000093637749 1030645074 /nfs/dbraw/zinc/64/50/74/1030645074.db2.gz VHBRLBLKZOLSRF-HXUWFJFHSA-N 1 2 342.414 3.666 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)CC12CCC2 ZINC000668110693 1030666443 /nfs/dbraw/zinc/66/64/43/1030666443.db2.gz NHYGIDGUECNCGE-AWEZNQCLSA-N 1 2 328.382 3.558 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)CC12CCC2 ZINC000668110693 1030666447 /nfs/dbraw/zinc/66/64/47/1030666447.db2.gz NHYGIDGUECNCGE-AWEZNQCLSA-N 1 2 328.382 3.558 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768237 1030667980 /nfs/dbraw/zinc/66/79/80/1030667980.db2.gz MQKRPSIGZWOQCR-INIZCTEOSA-N 1 2 339.407 3.966 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768237 1030667990 /nfs/dbraw/zinc/66/79/90/1030667990.db2.gz MQKRPSIGZWOQCR-INIZCTEOSA-N 1 2 339.407 3.966 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c[nH+]1 ZINC000897372702 1030678280 /nfs/dbraw/zinc/67/82/80/1030678280.db2.gz BBBXFAAMNPAVBL-QGZVFWFLSA-N 1 2 325.456 3.560 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935080633 1030681576 /nfs/dbraw/zinc/68/15/76/1030681576.db2.gz IRJOMQAKEGJQAO-BUIXCFAXSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935080633 1030681583 /nfs/dbraw/zinc/68/15/83/1030681583.db2.gz IRJOMQAKEGJQAO-BUIXCFAXSA-N 1 2 336.838 3.531 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1)c1ccccc1 ZINC000170249901 1030687912 /nfs/dbraw/zinc/68/79/12/1030687912.db2.gz GOOXUZQRHAPKGO-GOSISDBHSA-N 1 2 331.419 3.679 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)C[C@@]2(CCOC2)O1 ZINC000527243644 1030734067 /nfs/dbraw/zinc/73/40/67/1030734067.db2.gz ASDXKAFSLWZIIN-RDTXWAMCSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)C[C@@]2(CCOC2)O1 ZINC000527243644 1030734084 /nfs/dbraw/zinc/73/40/84/1030734084.db2.gz ASDXKAFSLWZIIN-RDTXWAMCSA-N 1 2 336.501 3.571 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000066563607 1030742969 /nfs/dbraw/zinc/74/29/69/1030742969.db2.gz ZHAWUCNUUAJGTI-JTQLQIEISA-N 1 2 341.839 3.703 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000066563607 1030742977 /nfs/dbraw/zinc/74/29/77/1030742977.db2.gz ZHAWUCNUUAJGTI-JTQLQIEISA-N 1 2 341.839 3.703 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4scnc4C(C)C)n3)[nH+]c12 ZINC000583794473 1030754523 /nfs/dbraw/zinc/75/45/23/1030754523.db2.gz ZYZHFWJQWMAECR-UHFFFAOYSA-N 1 2 339.424 3.863 20 0 EHADLO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000527325033 1030795780 /nfs/dbraw/zinc/79/57/80/1030795780.db2.gz CIJZSFPFDGJEFT-LIRRHRJNSA-N 1 2 334.423 3.857 20 0 EHADLO c1csc(C[N@H+](Cc2cn3ccsc3n2)C[C@@H]2CCCO2)c1 ZINC000171075549 1030806049 /nfs/dbraw/zinc/80/60/49/1030806049.db2.gz JTEDZOQSPIQBSY-AWEZNQCLSA-N 1 2 333.482 3.639 20 0 EHADLO c1csc(C[N@@H+](Cc2cn3ccsc3n2)C[C@@H]2CCCO2)c1 ZINC000171075549 1030806067 /nfs/dbraw/zinc/80/60/67/1030806067.db2.gz JTEDZOQSPIQBSY-AWEZNQCLSA-N 1 2 333.482 3.639 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3ccccn3)CC2)s1 ZINC000448218649 1030806752 /nfs/dbraw/zinc/80/67/52/1030806752.db2.gz VPSKGRJBQLJIDZ-UHFFFAOYSA-N 1 2 331.485 3.879 20 0 EHADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000482932452 1030829513 /nfs/dbraw/zinc/82/95/13/1030829513.db2.gz AZWALUMRVUZSRF-IBGZPJMESA-N 1 2 340.492 3.650 20 0 EHADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000482932452 1030829530 /nfs/dbraw/zinc/82/95/30/1030829530.db2.gz AZWALUMRVUZSRF-IBGZPJMESA-N 1 2 340.492 3.650 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157778016 1030836017 /nfs/dbraw/zinc/83/60/17/1030836017.db2.gz FQVRZUHZYLZNAN-LLVKDONJSA-N 1 2 335.473 3.645 20 0 EHADLO COc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1C ZINC000923827272 1030846818 /nfs/dbraw/zinc/84/68/18/1030846818.db2.gz JMTITNWVVYPAIP-OAHLLOKOSA-N 1 2 326.400 3.886 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000536136259 1030849241 /nfs/dbraw/zinc/84/92/41/1030849241.db2.gz KEFXTEBGAYRQOQ-INIZCTEOSA-N 1 2 338.455 3.594 20 0 EHADLO c1nnc([C@H]([NH2+]CC2(c3ccccc3)CCCCC2)c2cccnc2)[nH]1 ZINC000551006410 1030881968 /nfs/dbraw/zinc/88/19/68/1030881968.db2.gz DNUDYXGCBCGCMW-LJQANCHMSA-N 1 2 347.466 3.781 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343450784 1030934283 /nfs/dbraw/zinc/93/42/83/1030934283.db2.gz MMRQGMRVIPBITD-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO C[C@H]1CC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000172375535 1030949904 /nfs/dbraw/zinc/94/99/04/1030949904.db2.gz BMPYHLCMMQPJMW-MCPYQZEQSA-N 1 2 340.471 3.555 20 0 EHADLO FC1(C[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)CC1 ZINC000527512498 1030960701 /nfs/dbraw/zinc/96/07/01/1030960701.db2.gz VPHORDFIGKVYNW-CYBMUJFWSA-N 1 2 345.199 3.930 20 0 EHADLO FC1(C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)CC1 ZINC000527512498 1030960716 /nfs/dbraw/zinc/96/07/16/1030960716.db2.gz VPHORDFIGKVYNW-CYBMUJFWSA-N 1 2 345.199 3.930 20 0 EHADLO CC(C)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527536155 1030962819 /nfs/dbraw/zinc/96/28/19/1030962819.db2.gz PABDSJVGDOIMBZ-NRFANRHFSA-N 1 2 339.483 3.923 20 0 EHADLO Cc1cc(S(C)(=O)=O)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091165 1030968006 /nfs/dbraw/zinc/96/80/06/1030968006.db2.gz ZNNXWWSCVHLFOM-UHFFFAOYSA-N 1 2 327.409 3.532 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3cn4ccsc4n3)CC2)c1 ZINC000172591008 1030974494 /nfs/dbraw/zinc/97/44/94/1030974494.db2.gz GIMOXTFRRBFSFW-UHFFFAOYSA-N 1 2 326.469 3.781 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Cl)cc(Br)c1OC ZINC000090170702 1030983547 /nfs/dbraw/zinc/98/35/47/1030983547.db2.gz KPKJMBDUCSLOGT-UHFFFAOYSA-N 1 2 344.640 3.940 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nnc(-c2ccccc2OC)o1 ZINC000172736236 1030987024 /nfs/dbraw/zinc/98/70/24/1030987024.db2.gz ZSBDKAWIVODXOA-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccccc2OC)o1 ZINC000172736236 1030987035 /nfs/dbraw/zinc/98/70/35/1030987035.db2.gz ZSBDKAWIVODXOA-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)s1 ZINC000172757724 1030992427 /nfs/dbraw/zinc/99/24/27/1030992427.db2.gz ZXIHECPEVRXYMT-UHFFFAOYSA-N 1 2 349.544 3.765 20 0 EHADLO Cn1c2ccccc2[nH+]c1NCc1cnc(CC(F)(F)F)s1 ZINC000902644827 1031015479 /nfs/dbraw/zinc/01/54/79/1031015479.db2.gz QRWBWAQKYQZSPT-UHFFFAOYSA-N 1 2 326.347 3.747 20 0 EHADLO Nc1cccc(C[N@@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000527617202 1031041043 /nfs/dbraw/zinc/04/10/43/1031041043.db2.gz XYSFZXHYANFDBU-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc(C[N@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000527617202 1031041058 /nfs/dbraw/zinc/04/10/58/1031041058.db2.gz XYSFZXHYANFDBU-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Cc1cccc(C)c1NC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042625026 1031045875 /nfs/dbraw/zinc/04/58/75/1031045875.db2.gz SVANCSAZSKWFBW-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625706 1031054995 /nfs/dbraw/zinc/05/49/95/1031054995.db2.gz VWEHLGLOYAWAJA-JQWIXIFHSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625706 1031055007 /nfs/dbraw/zinc/05/50/07/1031055007.db2.gz VWEHLGLOYAWAJA-JQWIXIFHSA-N 1 2 328.225 3.514 20 0 EHADLO OCC[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1ccco1 ZINC000527691910 1031126330 /nfs/dbraw/zinc/12/63/30/1031126330.db2.gz LQZZJHHTRGZZOC-NSHDSACASA-N 1 2 346.171 3.534 20 0 EHADLO CC(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)(c1ccccc1)c1ccccc1 ZINC000668237877 1031127820 /nfs/dbraw/zinc/12/78/20/1031127820.db2.gz ATVDDEXGFQSNTA-QGZVFWFLSA-N 1 2 345.446 3.525 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000668238597 1031131061 /nfs/dbraw/zinc/13/10/61/1031131061.db2.gz UPRDEPDBPIUDOM-RTBURBONSA-N 1 2 345.446 3.604 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)[nH+]c12 ZINC000611794810 1031135801 /nfs/dbraw/zinc/13/58/01/1031135801.db2.gz KDSBEUYACYLHFE-VQTJNVASSA-N 1 2 347.462 3.722 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000483439009 1031171179 /nfs/dbraw/zinc/17/11/79/1031171179.db2.gz NHSBOUKSGCVZDA-OAQYLSRUSA-N 1 2 339.435 3.594 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000483439009 1031171185 /nfs/dbraw/zinc/17/11/85/1031171185.db2.gz NHSBOUKSGCVZDA-OAQYLSRUSA-N 1 2 339.435 3.594 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(C(=O)NC(C)C)cc2)n1-c1ccccc1 ZINC000174288333 1031188393 /nfs/dbraw/zinc/18/83/93/1031188393.db2.gz RLQOVQHLQSXEFF-UHFFFAOYSA-N 1 2 348.450 3.931 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)CCCC(F)(F)F)C2 ZINC000477088334 1031232798 /nfs/dbraw/zinc/23/27/98/1031232798.db2.gz NBKPVUDOBNAKPT-NWDGAFQWSA-N 1 2 345.409 3.875 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CCCC(F)(F)F)CC2 ZINC000477088334 1031232819 /nfs/dbraw/zinc/23/28/19/1031232819.db2.gz NBKPVUDOBNAKPT-NWDGAFQWSA-N 1 2 345.409 3.875 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nn(C)cc2Br)C2CC2)cc1 ZINC000393339554 1031239057 /nfs/dbraw/zinc/23/90/57/1031239057.db2.gz UFHIPIPFKDRHDB-INIZCTEOSA-N 1 2 334.261 3.732 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)cc3)n2)c1 ZINC000174654881 1031240022 /nfs/dbraw/zinc/24/00/22/1031240022.db2.gz AOOZEXBLCCHOCV-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(F)c3)n2)c1 ZINC000174658607 1031241410 /nfs/dbraw/zinc/24/14/10/1031241410.db2.gz WBOFYVVOHRACRL-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000551352513 1031259979 /nfs/dbraw/zinc/25/99/79/1031259979.db2.gz ZYUDDXZDAWPDLM-MJGOQNOKSA-N 1 2 327.472 3.540 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC000666980168 1031272442 /nfs/dbraw/zinc/27/24/42/1031272442.db2.gz QJYYYJKSBRIUOA-HZPDHXFCSA-N 1 2 327.428 3.650 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000483653184 1031275393 /nfs/dbraw/zinc/27/53/93/1031275393.db2.gz NLNBSUNSMXLGTH-HXUWFJFHSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000483653184 1031275411 /nfs/dbraw/zinc/27/54/11/1031275411.db2.gz NLNBSUNSMXLGTH-HXUWFJFHSA-N 1 2 341.451 3.851 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc(OC(F)F)c(F)c1)n1cc[nH+]c1 ZINC000635373367 1031331786 /nfs/dbraw/zinc/33/17/86/1031331786.db2.gz ADNHZPDZBTTYAA-CYBMUJFWSA-N 1 2 341.333 3.850 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868858 1031354047 /nfs/dbraw/zinc/35/40/47/1031354047.db2.gz MURLPBPMSMWDOG-LIRRHRJNSA-N 1 2 339.414 3.610 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)cc(NCC(F)(F)F)c1)n1cc[nH+]c1 ZINC000583998825 1031360668 /nfs/dbraw/zinc/36/06/68/1031360668.db2.gz LUUBFNQJNZJHRT-JTQLQIEISA-N 1 2 344.312 3.586 20 0 EHADLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000176071941 1031411967 /nfs/dbraw/zinc/41/19/67/1031411967.db2.gz CZJBPEKBQMCPMY-OAHLLOKOSA-N 1 2 349.434 3.717 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1cc2ccccc2o1 ZINC000176138357 1031415982 /nfs/dbraw/zinc/41/59/82/1031415982.db2.gz TYSHTZFJHVXCSX-LLVKDONJSA-N 1 2 341.436 3.619 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1cc2ccccc2o1 ZINC000176138357 1031415991 /nfs/dbraw/zinc/41/59/91/1031415991.db2.gz TYSHTZFJHVXCSX-LLVKDONJSA-N 1 2 341.436 3.619 20 0 EHADLO c1nnc([C@H]([NH2+]CC2CCc3ccccc3CC2)c2ccccc2)[nH]1 ZINC000527926606 1031417448 /nfs/dbraw/zinc/41/74/48/1031417448.db2.gz FEJKNXYWBPAUSU-HXUWFJFHSA-N 1 2 332.451 3.679 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(F)c1 ZINC000176135943 1031417899 /nfs/dbraw/zinc/41/78/99/1031417899.db2.gz GHBJOLUHEMENPF-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2nn(C)cc2Br)C(C)C)c1 ZINC000527902061 1031424344 /nfs/dbraw/zinc/42/43/44/1031424344.db2.gz FAFVOOZBWZYGGF-MRXNPFEDSA-N 1 2 336.277 3.978 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cccc(N2CCOC2=O)c1 ZINC000278582250 1031497856 /nfs/dbraw/zinc/49/78/56/1031497856.db2.gz KFOVKPYTXLCDFN-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000176881253 1031499033 /nfs/dbraw/zinc/49/90/33/1031499033.db2.gz WYWRRPJJMDCRGB-OAHLLOKOSA-N 1 2 344.484 3.563 20 0 EHADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000176881253 1031499049 /nfs/dbraw/zinc/49/90/49/1031499049.db2.gz WYWRRPJJMDCRGB-OAHLLOKOSA-N 1 2 344.484 3.563 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(OC)n1 ZINC000177117551 1031512287 /nfs/dbraw/zinc/51/22/87/1031512287.db2.gz CJUNYGAOUAMYMB-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(OC)n1 ZINC000177117551 1031512291 /nfs/dbraw/zinc/51/22/91/1031512291.db2.gz CJUNYGAOUAMYMB-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347429910 1031518836 /nfs/dbraw/zinc/51/88/36/1031518836.db2.gz LVJRHQLFVAGRSU-DLBZAZTESA-N 1 2 325.456 3.628 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347433242 1031528871 /nfs/dbraw/zinc/52/88/71/1031528871.db2.gz PSGGHRJNEGRQFV-DOTOQJQBSA-N 1 2 343.496 3.697 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000477441394 1031549422 /nfs/dbraw/zinc/54/94/22/1031549422.db2.gz VDARVVAZRKLJKZ-IIBYNOLFSA-N 1 2 345.446 3.985 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177731803 1031562864 /nfs/dbraw/zinc/56/28/64/1031562864.db2.gz ZVKJRAJOZYQPGL-VYENPZKTSA-N 1 2 331.419 3.741 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCCC[C@@H]1c1ccco1 ZINC000177766507 1031567555 /nfs/dbraw/zinc/56/75/55/1031567555.db2.gz VADOCFMEOSZNDS-MRXNPFEDSA-N 1 2 338.411 3.754 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000347438390 1031579314 /nfs/dbraw/zinc/57/93/14/1031579314.db2.gz WTXUQCDJGZJDDR-PVAVHDDUSA-N 1 2 343.858 3.583 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000080630182 1031596989 /nfs/dbraw/zinc/59/69/89/1031596989.db2.gz GLGKHRPHHNDPFB-VQIMIIECSA-N 1 2 340.471 3.825 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2F)nn1C ZINC000527983423 1031597413 /nfs/dbraw/zinc/59/74/13/1031597413.db2.gz DECLCGFJSFYNEM-VIFPVBQESA-N 1 2 344.203 3.620 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(C2CC2)nc2ccccc21 ZINC000178063237 1031617323 /nfs/dbraw/zinc/61/73/23/1031617323.db2.gz VAHZIQPAAMAPIH-UHFFFAOYSA-N 1 2 342.402 3.690 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177885820 1031636919 /nfs/dbraw/zinc/63/69/19/1031636919.db2.gz JWWCPTOEXDAULQ-IBGZPJMESA-N 1 2 332.407 3.553 20 0 EHADLO Cc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cccc1C(F)(F)F ZINC000178223679 1031643075 /nfs/dbraw/zinc/64/30/75/1031643075.db2.gz PLSRQOJDFJGBGQ-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO c1nnc([C@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc2)[nH]1 ZINC000343624374 1031685377 /nfs/dbraw/zinc/68/53/77/1031685377.db2.gz YSBKQFNGZPOFEC-QZTJIDSGSA-N 1 2 336.464 3.514 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000178385267 1031693745 /nfs/dbraw/zinc/69/37/45/1031693745.db2.gz HFMQHAJYLYSPAF-UHFFFAOYSA-N 1 2 335.338 3.663 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1-c1ncco1 ZINC000178721939 1031698664 /nfs/dbraw/zinc/69/86/64/1031698664.db2.gz KJVITGXBGHKLKJ-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000584098643 1031717761 /nfs/dbraw/zinc/71/77/61/1031717761.db2.gz ZTTDUYBRDZTEBD-QGZVFWFLSA-N 1 2 346.862 3.553 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000178824019 1031734934 /nfs/dbraw/zinc/73/49/34/1031734934.db2.gz JFMDYRAWUXWHAS-QUCCMNQESA-N 1 2 339.483 3.912 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000584116400 1031749120 /nfs/dbraw/zinc/74/91/20/1031749120.db2.gz WMWRNGFBIWXWDO-IBGZPJMESA-N 1 2 345.446 3.790 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccco1 ZINC000528136500 1031761080 /nfs/dbraw/zinc/76/10/80/1031761080.db2.gz BMBKQZSNVZSUOX-ZDUSSCGKSA-N 1 2 333.457 3.854 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[C@@H]1C1CC1 ZINC000528139795 1031765525 /nfs/dbraw/zinc/76/55/25/1031765525.db2.gz MCQHJUVNYSSNEQ-UHOFOFEASA-N 1 2 333.501 3.606 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1CC(F)(F)F ZINC000085820502 1031769538 /nfs/dbraw/zinc/76/95/38/1031769538.db2.gz CGUBVBLFQSVWJI-WCQYABFASA-N 1 2 348.434 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1CC(F)(F)F ZINC000085820502 1031769552 /nfs/dbraw/zinc/76/95/52/1031769552.db2.gz CGUBVBLFQSVWJI-WCQYABFASA-N 1 2 348.434 3.676 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)[C@H](C)c2ccccc2)[nH]c(C)c1C(C)=O ZINC000085771592 1031778669 /nfs/dbraw/zinc/77/86/69/1031778669.db2.gz NASZLIYUIMASAQ-CQSZACIVSA-N 1 2 326.440 3.964 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)[nH]c(C)c1C(C)=O ZINC000085771592 1031778683 /nfs/dbraw/zinc/77/86/83/1031778683.db2.gz NASZLIYUIMASAQ-CQSZACIVSA-N 1 2 326.440 3.964 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(C(F)F)c3F)n2)C1 ZINC000528157020 1031809594 /nfs/dbraw/zinc/80/95/94/1031809594.db2.gz MUANRAQYYDETKN-LBPRGKRZSA-N 1 2 341.333 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(C(F)F)c3F)n2)C1 ZINC000528157020 1031809610 /nfs/dbraw/zinc/80/96/10/1031809610.db2.gz MUANRAQYYDETKN-LBPRGKRZSA-N 1 2 341.333 3.595 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C(F)F)c3F)n2)C1 ZINC000528157018 1031810526 /nfs/dbraw/zinc/81/05/26/1031810526.db2.gz MUANRAQYYDETKN-GFCCVEGCSA-N 1 2 341.333 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C(F)F)c3F)n2)C1 ZINC000528157018 1031810539 /nfs/dbraw/zinc/81/05/39/1031810539.db2.gz MUANRAQYYDETKN-GFCCVEGCSA-N 1 2 341.333 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncc(C(F)(F)F)s2)c1C ZINC000477741996 1031822074 /nfs/dbraw/zinc/82/20/74/1031822074.db2.gz FEAGBYZLRXPXJI-UHFFFAOYSA-N 1 2 331.363 3.819 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cc2cnccc2o1 ZINC000657831417 1031826449 /nfs/dbraw/zinc/82/64/49/1031826449.db2.gz XXGKAEDFQCEUEM-CHWSQXEVSA-N 1 2 325.416 3.558 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2cccc(Cl)c2F)CC12CCCCC2 ZINC000537707851 1031845637 /nfs/dbraw/zinc/84/56/37/1031845637.db2.gz MIHCQVOBQJEZJT-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2cccc(Cl)c2F)CC12CCCCC2 ZINC000537707851 1031845652 /nfs/dbraw/zinc/84/56/52/1031845652.db2.gz MIHCQVOBQJEZJT-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117785579 1031854044 /nfs/dbraw/zinc/85/40/44/1031854044.db2.gz HUJLULBNEQXIFT-LJQANCHMSA-N 1 2 347.418 3.858 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccsc3C)CC2)c1 ZINC000448907728 1031868316 /nfs/dbraw/zinc/86/83/16/1031868316.db2.gz IGHBNWZWPODPCR-AWEZNQCLSA-N 1 2 344.480 3.584 20 0 EHADLO CC(C)(C)Oc1c(F)cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000180737697 1031903086 /nfs/dbraw/zinc/90/30/86/1031903086.db2.gz LZBBJYNJYOHPGR-NSHDSACASA-N 1 2 349.381 3.540 20 0 EHADLO CCc1noc(CC)c1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180739663 1031904498 /nfs/dbraw/zinc/90/44/98/1031904498.db2.gz FXKDCMOKBDDCHA-LJQANCHMSA-N 1 2 342.418 3.551 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000904257977 1031905731 /nfs/dbraw/zinc/90/57/31/1031905731.db2.gz HKEWICIBWOYXHF-UWVGGRQHSA-N 1 2 326.322 3.858 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)Oc2ccc3c(c2)CCC3)n1 ZINC000904272626 1031907997 /nfs/dbraw/zinc/90/79/97/1031907997.db2.gz VECCNNADIKBOEO-GFCCVEGCSA-N 1 2 336.395 3.651 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc(C(C)C)[nH+]1 ZINC000343682772 1031927231 /nfs/dbraw/zinc/92/72/31/1031927231.db2.gz JIONLCSRPCFFAO-MRXNPFEDSA-N 1 2 325.460 3.852 20 0 EHADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159180061 1031936680 /nfs/dbraw/zinc/93/66/80/1031936680.db2.gz SQQAWLQMBHOTRE-HUUCEWRRSA-N 1 2 330.432 3.518 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccccc1F ZINC000460663955 1031943502 /nfs/dbraw/zinc/94/35/02/1031943502.db2.gz VLZOIGIBSFLKGW-UHFFFAOYSA-N 1 2 327.403 3.636 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccn1C1CCCC1 ZINC000181583544 1032006641 /nfs/dbraw/zinc/00/66/41/1032006641.db2.gz XSPJENRJCZAVHA-UHFFFAOYSA-N 1 2 326.444 3.620 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc(Cl)c1 ZINC000283060268 1032021712 /nfs/dbraw/zinc/02/17/12/1032021712.db2.gz JMDGSXBZCMPUOS-SNVBAGLBSA-N 1 2 325.243 3.700 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3c(n1)CCC3)[C@H]2c1ccccc1 ZINC000584277142 1032044733 /nfs/dbraw/zinc/04/47/33/1032044733.db2.gz BGCKYAROWZHEMD-QFIPXVFZSA-N 1 2 329.447 3.977 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3c(n1)CCC3)[C@H]2c1ccccc1 ZINC000584277142 1032044743 /nfs/dbraw/zinc/04/47/43/1032044743.db2.gz BGCKYAROWZHEMD-QFIPXVFZSA-N 1 2 329.447 3.977 20 0 EHADLO COc1cccc(C2([NH2+]Cc3ncc(C(F)(F)F)s3)CC2)c1 ZINC000278699979 1032045231 /nfs/dbraw/zinc/04/52/31/1032045231.db2.gz QUARGSPMDBJIBT-UHFFFAOYSA-N 1 2 328.359 3.949 20 0 EHADLO CC1=C(C)C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000574573954 1033300959 /nfs/dbraw/zinc/30/09/59/1033300959.db2.gz CBAFXRWOVMQNDB-GOSISDBHSA-N 1 2 327.472 3.825 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@H]3CSCCS3)c21 ZINC000842030650 1033344744 /nfs/dbraw/zinc/34/47/44/1033344744.db2.gz KJXWMNPZJSFZLZ-JTQLQIEISA-N 1 2 334.445 3.511 20 0 EHADLO Cc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(F)c(C)c3)co2)cc1 ZINC000063457639 1033357952 /nfs/dbraw/zinc/35/79/52/1033357952.db2.gz JLQTURBHDNXCBP-UHFFFAOYSA-N 1 2 339.370 3.935 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cnn(CC2CCC2)c1 ZINC000898176880 1033377551 /nfs/dbraw/zinc/37/75/51/1033377551.db2.gz FVBZMLHHRMCYMN-OAHLLOKOSA-N 1 2 335.455 3.924 20 0 EHADLO C[C@H]([NH2+]Cc1occc1Br)c1cnn(CC2CCC2)c1 ZINC000898180065 1033380941 /nfs/dbraw/zinc/38/09/41/1033380941.db2.gz SIEXZVHBJGHKBP-NSHDSACASA-N 1 2 338.249 3.890 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000449904238 1033405278 /nfs/dbraw/zinc/40/52/78/1033405278.db2.gz PMIZKQWGELYYEF-KVSKMBFKSA-N 1 2 344.499 3.838 20 0 EHADLO COc1ccc([C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C2CC2)cn1 ZINC000529105260 1033410012 /nfs/dbraw/zinc/41/00/12/1033410012.db2.gz TXUUBQGLZBUUBU-SFHVURJKSA-N 1 2 340.427 3.683 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)C ZINC000635567698 1033421004 /nfs/dbraw/zinc/42/10/04/1033421004.db2.gz GJNCFETYHQQGBF-IRXDYDNUSA-N 1 2 328.460 3.687 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC2CCC(C)(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000533967490 1033432643 /nfs/dbraw/zinc/43/26/43/1033432643.db2.gz SPQVYIGDQAPCRU-WBVHZDCISA-N 1 2 332.492 3.692 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)ccc(C)c2F)n1 ZINC000898312743 1033449037 /nfs/dbraw/zinc/44/90/37/1033449037.db2.gz LQAKBXZNDVZBHK-UHFFFAOYSA-N 1 2 339.411 3.824 20 0 EHADLO CCc1nocc1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000594561426 1033453095 /nfs/dbraw/zinc/45/30/95/1033453095.db2.gz YYJGMAFYNZYLSU-UHFFFAOYSA-N 1 2 332.469 3.503 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000608054103 1033473378 /nfs/dbraw/zinc/47/33/78/1033473378.db2.gz KWBMEIDCPBSSMH-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@](=O)C[C@H](C)C3)s2)cc1C ZINC000594614304 1033480814 /nfs/dbraw/zinc/48/08/14/1033480814.db2.gz LPTINRKBZWAHCY-ZLOXQWCVSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@](=O)C[C@H](C)C3)s2)cc1C ZINC000594614304 1033480823 /nfs/dbraw/zinc/48/08/23/1033480823.db2.gz LPTINRKBZWAHCY-ZLOXQWCVSA-N 1 2 348.537 3.627 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc2[nH+]ccn21 ZINC000460332622 1033499070 /nfs/dbraw/zinc/49/90/70/1033499070.db2.gz DLSDIOHJCHKHOO-OAGGEKHMSA-N 1 2 329.444 3.750 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC1(CSC)CC1 ZINC000594711465 1033500639 /nfs/dbraw/zinc/50/06/39/1033500639.db2.gz NUKBIKVMTMIJMI-HNNXBMFYSA-N 1 2 341.904 3.547 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000935335775 1033572274 /nfs/dbraw/zinc/57/22/74/1033572274.db2.gz FMWNEGCKGJCNNJ-NXWXRZEISA-N 1 2 329.488 3.584 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)o1 ZINC000608371733 1033642197 /nfs/dbraw/zinc/64/21/97/1033642197.db2.gz GUEIPBBUQMYAJR-CQSZACIVSA-N 1 2 341.411 3.793 20 0 EHADLO CC(C)c1cc(Cl)ccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529244998 1033644812 /nfs/dbraw/zinc/64/48/12/1033644812.db2.gz PHYSHOFWWHZCIB-CYBMUJFWSA-N 1 2 332.835 3.796 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1F ZINC000669684487 1033674415 /nfs/dbraw/zinc/67/44/15/1033674415.db2.gz MLSHQBYAXZZYOZ-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC000685652017 1033675585 /nfs/dbraw/zinc/67/55/85/1033675585.db2.gz NNWYYQCJCRBNSL-AWEZNQCLSA-N 1 2 346.394 3.784 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@H](COC(C)C)C3)s2)cc1 ZINC000546735747 1033688293 /nfs/dbraw/zinc/68/82/93/1033688293.db2.gz TWENULCAAADEPJ-KRWDZBQOSA-N 1 2 346.496 3.744 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@H](COC(C)C)C3)s2)cc1 ZINC000546735747 1033688301 /nfs/dbraw/zinc/68/83/01/1033688301.db2.gz TWENULCAAADEPJ-KRWDZBQOSA-N 1 2 346.496 3.744 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)s1 ZINC000599068960 1033710999 /nfs/dbraw/zinc/71/09/99/1033710999.db2.gz RGXMDCRVPYCFNW-IAQYHMDHSA-N 1 2 331.441 3.517 20 0 EHADLO O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000101516114 1033720615 /nfs/dbraw/zinc/72/06/15/1033720615.db2.gz URUQRKUOILNGQT-UHFFFAOYSA-N 1 2 334.354 3.878 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000595295656 1033721630 /nfs/dbraw/zinc/72/16/30/1033721630.db2.gz OAFFNMIXLYEECJ-CYBMUJFWSA-N 1 2 333.407 3.617 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000595295656 1033721646 /nfs/dbraw/zinc/72/16/46/1033721646.db2.gz OAFFNMIXLYEECJ-CYBMUJFWSA-N 1 2 333.407 3.617 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2ccccc2)CCOCC1 ZINC000046118739 1033729553 /nfs/dbraw/zinc/72/95/53/1033729553.db2.gz NINXSYSQHAEVQF-UHFFFAOYSA-N 1 2 347.418 3.559 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000529269324 1033741791 /nfs/dbraw/zinc/74/17/91/1033741791.db2.gz BJPLSIOMOGTWTD-HZPDHXFCSA-N 1 2 341.455 3.712 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450110472 1033757760 /nfs/dbraw/zinc/75/77/60/1033757760.db2.gz FGYIIWKENIEEIA-XUVXKRRUSA-N 1 2 336.435 3.645 20 0 EHADLO CCc1c2ccccc2oc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450110954 1033761560 /nfs/dbraw/zinc/76/15/60/1033761560.db2.gz GJGGDPQGVWCDKY-HNNXBMFYSA-N 1 2 336.391 3.684 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608616547 1033783483 /nfs/dbraw/zinc/78/34/83/1033783483.db2.gz WORVQPMNRQQLTF-SJLPKXTDSA-N 1 2 342.487 3.828 20 0 EHADLO C[C@H]1CN(c2ccccc2C[NH2+]CC(F)(F)C(C)(C)C)CCO1 ZINC000668748253 1033786450 /nfs/dbraw/zinc/78/64/50/1033786450.db2.gz RMZXQFMHTQZGEM-AWEZNQCLSA-N 1 2 326.431 3.683 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000174198529 1033801910 /nfs/dbraw/zinc/80/19/10/1033801910.db2.gz DHYSDXVNQKQZRY-IAGOWNOFSA-N 1 2 343.515 3.664 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccccc2CC(F)(F)F)c1 ZINC000599197349 1033802495 /nfs/dbraw/zinc/80/24/95/1033802495.db2.gz CTKWGDVTRQHNLO-UHFFFAOYSA-N 1 2 338.329 3.514 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000628234616 1033808213 /nfs/dbraw/zinc/80/82/13/1033808213.db2.gz HIULCRXNJHEZBG-UHFFFAOYSA-N 1 2 333.297 3.656 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCCCNc2cccc[nH+]2)c(C)s1 ZINC000046600406 1033814312 /nfs/dbraw/zinc/81/43/12/1033814312.db2.gz PCAUNOMQMYQDJM-ZDUSSCGKSA-N 1 2 332.473 3.622 20 0 EHADLO Cc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000174189935 1033815619 /nfs/dbraw/zinc/81/56/19/1033815619.db2.gz QDYVUCBAYVFRSQ-UHFFFAOYSA-N 1 2 343.496 3.521 20 0 EHADLO FC(F)c1nc2ccccc2c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000595537879 1033826761 /nfs/dbraw/zinc/82/67/61/1033826761.db2.gz TUTRTUYYWVNFEN-GFCCVEGCSA-N 1 2 329.354 3.605 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608750163 1033862059 /nfs/dbraw/zinc/86/20/59/1033862059.db2.gz MKAZOBQQEYZSTB-HUUCEWRRSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608750163 1033862071 /nfs/dbraw/zinc/86/20/71/1033862071.db2.gz MKAZOBQQEYZSTB-HUUCEWRRSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)sc1Cc1ccccc1F ZINC000599315258 1033868153 /nfs/dbraw/zinc/86/81/53/1033868153.db2.gz MNWSBPBZUDYDHB-OAHLLOKOSA-N 1 2 347.459 3.604 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1c(F)cc(F)cc1F ZINC000174259653 1033868281 /nfs/dbraw/zinc/86/82/81/1033868281.db2.gz RDRXKXSIHMVZEE-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)sc1Cc1ccccc1F ZINC000599315258 1033868155 /nfs/dbraw/zinc/86/81/55/1033868155.db2.gz MNWSBPBZUDYDHB-OAHLLOKOSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)no2)c1 ZINC000450218448 1033920299 /nfs/dbraw/zinc/92/02/99/1033920299.db2.gz XSZHCOPYSLJZQT-CQSZACIVSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)no2)c1 ZINC000450218448 1033920308 /nfs/dbraw/zinc/92/03/08/1033920308.db2.gz XSZHCOPYSLJZQT-CQSZACIVSA-N 1 2 326.425 3.839 20 0 EHADLO CCCc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000120551861 1033923145 /nfs/dbraw/zinc/92/31/45/1033923145.db2.gz YQHMQCWWXPAXAW-HNNXBMFYSA-N 1 2 345.512 3.837 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1OC1CC1 ZINC000450242669 1033943630 /nfs/dbraw/zinc/94/36/30/1033943630.db2.gz AEOCQINXEIJBRZ-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000450242669 1033943647 /nfs/dbraw/zinc/94/36/47/1033943647.db2.gz AEOCQINXEIJBRZ-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595677419 1033945444 /nfs/dbraw/zinc/94/54/44/1033945444.db2.gz ULHCGNIYNMALCB-SFHVURJKSA-N 1 2 340.423 3.969 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595677419 1033945454 /nfs/dbraw/zinc/94/54/54/1033945454.db2.gz ULHCGNIYNMALCB-SFHVURJKSA-N 1 2 340.423 3.969 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCCC(F)(F)F ZINC000595673575 1033945639 /nfs/dbraw/zinc/94/56/39/1033945639.db2.gz IPWPNWNYBWNRCW-AWEZNQCLSA-N 1 2 333.350 3.574 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCCC(F)(F)F ZINC000595673575 1033945642 /nfs/dbraw/zinc/94/56/42/1033945642.db2.gz IPWPNWNYBWNRCW-AWEZNQCLSA-N 1 2 333.350 3.574 20 0 EHADLO O=C(CNc1cccc(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000603862969 1033989097 /nfs/dbraw/zinc/98/90/97/1033989097.db2.gz MXGVLYJPXMCSKU-UHFFFAOYSA-N 1 2 326.787 3.781 20 0 EHADLO C[C@H](c1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000455979295 1034002602 /nfs/dbraw/zinc/00/26/02/1034002602.db2.gz BFTXUCOGSPCTSG-CYBMUJFWSA-N 1 2 339.361 3.711 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000595843706 1034004522 /nfs/dbraw/zinc/00/45/22/1034004522.db2.gz CBYQZCMZPYREBH-CQSZACIVSA-N 1 2 338.245 3.539 20 0 EHADLO COC(=O)CC1(C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000595843706 1034004541 /nfs/dbraw/zinc/00/45/41/1034004541.db2.gz CBYQZCMZPYREBH-CQSZACIVSA-N 1 2 338.245 3.539 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000529466914 1034022200 /nfs/dbraw/zinc/02/22/00/1034022200.db2.gz ICPXJMRUQZMJRU-ARFHVFGLSA-N 1 2 331.847 3.630 20 0 EHADLO C[C@H]1CC=C(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000456019239 1034053436 /nfs/dbraw/zinc/05/34/36/1034053436.db2.gz FKSCQWSQBZYOSW-HNNXBMFYSA-N 1 2 327.472 3.672 20 0 EHADLO CCCOc1ccc(NC(=O)NCCCNc2cccc[nH+]2)c(C)c1 ZINC000056746710 1034061396 /nfs/dbraw/zinc/06/13/96/1034061396.db2.gz HLDOWQQIVFEGJZ-UHFFFAOYSA-N 1 2 342.443 3.803 20 0 EHADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc(C(F)(F)F)cc1 ZINC000350203642 1034128387 /nfs/dbraw/zinc/12/83/87/1034128387.db2.gz IBHMEJUKACBIQS-SNVBAGLBSA-N 1 2 336.317 3.565 20 0 EHADLO CC1([N@H+](Cc2csnn2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000119338731 1034137702 /nfs/dbraw/zinc/13/77/02/1034137702.db2.gz YQUIBSCTHRVHQZ-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO CC1([N@@H+](Cc2csnn2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000119338731 1034137714 /nfs/dbraw/zinc/13/77/14/1034137714.db2.gz YQUIBSCTHRVHQZ-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000596271981 1034140245 /nfs/dbraw/zinc/14/02/45/1034140245.db2.gz WSPCQMBUCJCTJE-GOSISDBHSA-N 1 2 336.435 3.571 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CCO2)ccc1F ZINC000537616094 1034155945 /nfs/dbraw/zinc/15/59/45/1034155945.db2.gz WGIMBLDNUCPWGX-LJQANCHMSA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CCO2)ccc1F ZINC000537616094 1034155954 /nfs/dbraw/zinc/15/59/54/1034155954.db2.gz WGIMBLDNUCPWGX-LJQANCHMSA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CCO2)ccc1F ZINC000537616094 1034155964 /nfs/dbraw/zinc/15/59/64/1034155964.db2.gz WGIMBLDNUCPWGX-LJQANCHMSA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CCO2)ccc1F ZINC000537616094 1034155969 /nfs/dbraw/zinc/15/59/69/1034155969.db2.gz WGIMBLDNUCPWGX-LJQANCHMSA-N 1 2 325.387 3.584 20 0 EHADLO C[C@H](CCO)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450360530 1034198024 /nfs/dbraw/zinc/19/80/24/1034198024.db2.gz LDBDEIANVGITPL-SECBINFHSA-N 1 2 327.197 3.567 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2nccnc2c1 ZINC000101821506 1034257481 /nfs/dbraw/zinc/25/74/81/1034257481.db2.gz XWJARUPLJWMYPF-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000179396031 1034279021 /nfs/dbraw/zinc/27/90/21/1034279021.db2.gz BQDSPZICCKIZFT-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000191575199 1034318608 /nfs/dbraw/zinc/31/86/08/1034318608.db2.gz ZDVJNCOOPTZGOM-ZDUSSCGKSA-N 1 2 339.443 3.916 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)N(c2nc(N(C)C)c3ccccc3[nH+]2)C1 ZINC000450440282 1034335240 /nfs/dbraw/zinc/33/52/40/1034335240.db2.gz NVEOPWFLUKCWKM-KDOFPFPSSA-N 1 2 333.439 3.678 20 0 EHADLO CO[C@@H](Cc1ccccc1)C[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000450444837 1034339730 /nfs/dbraw/zinc/33/97/30/1034339730.db2.gz ZUZBTMHJURDOMO-NRFANRHFSA-N 1 2 349.478 3.621 20 0 EHADLO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000450444837 1034339744 /nfs/dbraw/zinc/33/97/44/1034339744.db2.gz ZUZBTMHJURDOMO-NRFANRHFSA-N 1 2 349.478 3.621 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000685712840 1034341345 /nfs/dbraw/zinc/34/13/45/1034341345.db2.gz PXPXQGUMSYIDOK-OAQYLSRUSA-N 1 2 345.446 3.586 20 0 EHADLO CCc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC001203213089 1034368628 /nfs/dbraw/zinc/36/86/28/1034368628.db2.gz USXOWKOQOYIMEM-UHFFFAOYSA-N 1 2 339.361 3.578 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000060296067 1034382421 /nfs/dbraw/zinc/38/24/21/1034382421.db2.gz WROVPVUUVOMCSZ-UHFFFAOYSA-N 1 2 333.457 3.567 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000060296067 1034382435 /nfs/dbraw/zinc/38/24/35/1034382435.db2.gz WROVPVUUVOMCSZ-UHFFFAOYSA-N 1 2 333.457 3.567 20 0 EHADLO CCC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCC1 ZINC000636020363 1034446270 /nfs/dbraw/zinc/44/62/70/1034446270.db2.gz BVISFVMMNYETFG-UONOGXRCSA-N 1 2 331.382 3.852 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000604663238 1034447039 /nfs/dbraw/zinc/44/70/39/1034447039.db2.gz RHSUSGMNUVREIF-AEFFLSMTSA-N 1 2 332.492 3.979 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604670807 1034450035 /nfs/dbraw/zinc/45/00/35/1034450035.db2.gz SCNWOYMNHUJFSN-WBVHZDCISA-N 1 2 326.444 3.592 20 0 EHADLO COC(=O)c1csc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000450518971 1034467732 /nfs/dbraw/zinc/46/77/32/1034467732.db2.gz KXXKMSORVFAZFI-INIZCTEOSA-N 1 2 328.437 3.582 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000450518971 1034467740 /nfs/dbraw/zinc/46/77/40/1034467740.db2.gz KXXKMSORVFAZFI-INIZCTEOSA-N 1 2 328.437 3.582 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000229920679 1034521400 /nfs/dbraw/zinc/52/14/00/1034521400.db2.gz PBYSNGAQMNANMQ-WMZJFQQLSA-N 1 2 349.390 3.541 20 0 EHADLO c1c2ccccc2[nH]c1[C@@H]1CCCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450553868 1034532056 /nfs/dbraw/zinc/53/20/56/1034532056.db2.gz JPNGXVNBAWKHFW-FQEVSTJZSA-N 1 2 335.455 3.897 20 0 EHADLO c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450553868 1034532066 /nfs/dbraw/zinc/53/20/66/1034532066.db2.gz JPNGXVNBAWKHFW-FQEVSTJZSA-N 1 2 335.455 3.897 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)C[C@H]3OCCc4ccccc43)n2)c1 ZINC000548905497 1034541857 /nfs/dbraw/zinc/54/18/57/1034541857.db2.gz RCBQRZYYWFQLQC-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)C[C@H]3OCCc4ccccc43)n2)c1 ZINC000548905497 1034541865 /nfs/dbraw/zinc/54/18/65/1034541865.db2.gz RCBQRZYYWFQLQC-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000597165297 1034574380 /nfs/dbraw/zinc/57/43/80/1034574380.db2.gz YJMNBELQMSKNQK-CQSZACIVSA-N 1 2 343.496 3.511 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000597165297 1034574385 /nfs/dbraw/zinc/57/43/85/1034574385.db2.gz YJMNBELQMSKNQK-CQSZACIVSA-N 1 2 343.496 3.511 20 0 EHADLO CCC(NC(=O)Cc1c[nH+]cn1Cc1ccccc1)(C1CC1)C1CC1 ZINC000529799217 1034591628 /nfs/dbraw/zinc/59/16/28/1034591628.db2.gz FDUABWYHCURFLD-UHFFFAOYSA-N 1 2 337.467 3.559 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544266 1034640584 /nfs/dbraw/zinc/64/05/84/1034640584.db2.gz CRAFMPFESBOAOC-STQMWFEESA-N 1 2 338.373 3.547 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544266 1034640591 /nfs/dbraw/zinc/64/05/91/1034640591.db2.gz CRAFMPFESBOAOC-STQMWFEESA-N 1 2 338.373 3.547 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2c(c1)OCCO2 ZINC000892481193 1034713449 /nfs/dbraw/zinc/71/34/49/1034713449.db2.gz LERNBYJAHLTTIY-VIFPVBQESA-N 1 2 344.358 3.784 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ccc(Br)cc2)c[nH+]1 ZINC000456844658 1034762883 /nfs/dbraw/zinc/76/28/83/1034762883.db2.gz RLQAMHKQXZZDLW-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO CC(C)c1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nc1 ZINC000685764698 1034767451 /nfs/dbraw/zinc/76/74/51/1034767451.db2.gz MGRGDNNCVXHJLC-IBGZPJMESA-N 1 2 348.450 3.652 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(F)c(C(F)(F)F)cc2F)c[nH+]1 ZINC000456848816 1034767555 /nfs/dbraw/zinc/76/75/55/1034767555.db2.gz UXPMLVACZKFMAD-UHFFFAOYSA-N 1 2 344.283 3.925 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCOc2ccc(C)c(C)c2)c[nH+]1 ZINC000456826054 1034768024 /nfs/dbraw/zinc/76/80/24/1034768024.db2.gz AEUDJQPYQYJSAT-UHFFFAOYSA-N 1 2 326.440 3.791 20 0 EHADLO Cc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cc(C)ccc1C ZINC000456828316 1034773403 /nfs/dbraw/zinc/77/34/03/1034773403.db2.gz BLXDOPDDVRBQCL-UHFFFAOYSA-N 1 2 348.450 3.739 20 0 EHADLO CSc1nc(C(C)C)nc(C)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456839631 1034787219 /nfs/dbraw/zinc/78/72/19/1034787219.db2.gz CVKOVLJQYSJOHX-UHFFFAOYSA-N 1 2 344.484 3.572 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(OCC(F)(F)F)cc2)c[nH+]1 ZINC000456864863 1034797955 /nfs/dbraw/zinc/79/79/55/1034797955.db2.gz SUDLFJQMFDVHLK-UHFFFAOYSA-N 1 2 338.329 3.570 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000529940863 1034799116 /nfs/dbraw/zinc/79/91/16/1034799116.db2.gz NYFDZEWGQWEWDZ-OAHLLOKOSA-N 1 2 348.450 3.930 20 0 EHADLO CC(C)(C)C1=CC[N@H+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000534691954 1034806037 /nfs/dbraw/zinc/80/60/37/1034806037.db2.gz QYOPZGAWIOBSRX-UHFFFAOYSA-N 1 2 345.418 3.966 20 0 EHADLO CC(C)(C)C1=CC[N@@H+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000534691954 1034806049 /nfs/dbraw/zinc/80/60/49/1034806049.db2.gz QYOPZGAWIOBSRX-UHFFFAOYSA-N 1 2 345.418 3.966 20 0 EHADLO COc1ccc(CCC(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000456857941 1034816363 /nfs/dbraw/zinc/81/63/63/1034816363.db2.gz LHSWVYRGHACFGA-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000605747601 1034822842 /nfs/dbraw/zinc/82/28/42/1034822842.db2.gz ZXWVWVAOXKOULX-AWEZNQCLSA-N 1 2 346.393 3.996 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000605747601 1034822854 /nfs/dbraw/zinc/82/28/54/1034822854.db2.gz ZXWVWVAOXKOULX-AWEZNQCLSA-N 1 2 346.393 3.996 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121334493 1034833617 /nfs/dbraw/zinc/83/36/17/1034833617.db2.gz KANWTFIEDZTVQQ-INIZCTEOSA-N 1 2 342.464 3.876 20 0 EHADLO O[C@@H]([C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1)C(F)(F)F ZINC000450886131 1034914678 /nfs/dbraw/zinc/91/46/78/1034914678.db2.gz VVWVQRYKUVBGEH-CLAHSXSESA-N 1 2 348.727 3.777 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc(C(=O)OC)cs2)cc1 ZINC000450900158 1034935707 /nfs/dbraw/zinc/93/57/07/1034935707.db2.gz UHFDZYJAAIOPOZ-UHFFFAOYSA-N 1 2 348.468 3.743 20 0 EHADLO C[N@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000530094707 1034954675 /nfs/dbraw/zinc/95/46/75/1034954675.db2.gz JTSUKVBJIMWXFR-CYBMUJFWSA-N 1 2 347.409 3.657 20 0 EHADLO C[N@@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000530094707 1034954680 /nfs/dbraw/zinc/95/46/80/1034954680.db2.gz JTSUKVBJIMWXFR-CYBMUJFWSA-N 1 2 347.409 3.657 20 0 EHADLO CC1CCC([N@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)CC1 ZINC000530094665 1034954970 /nfs/dbraw/zinc/95/49/70/1034954970.db2.gz ISYQRHWWZYKCKC-UHFFFAOYSA-N 1 2 347.409 3.657 20 0 EHADLO CC1CCC([N@@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)CC1 ZINC000530094665 1034954979 /nfs/dbraw/zinc/95/49/79/1034954979.db2.gz ISYQRHWWZYKCKC-UHFFFAOYSA-N 1 2 347.409 3.657 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000375933394 1034957414 /nfs/dbraw/zinc/95/74/14/1034957414.db2.gz RABRHACTSLBANG-GOSISDBHSA-N 1 2 333.435 3.522 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933842 1034980605 /nfs/dbraw/zinc/98/06/05/1034980605.db2.gz JTXYQIHXRLOMFW-LSDHHAIUSA-N 1 2 341.373 3.955 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933842 1034980617 /nfs/dbraw/zinc/98/06/17/1034980617.db2.gz JTXYQIHXRLOMFW-LSDHHAIUSA-N 1 2 341.373 3.955 20 0 EHADLO Cc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc12 ZINC000413784090 1035016929 /nfs/dbraw/zinc/01/69/29/1035016929.db2.gz NVCUBSRAZSLMMJ-UHFFFAOYSA-N 1 2 333.435 3.953 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451000392 1035021257 /nfs/dbraw/zinc/02/12/57/1035021257.db2.gz PIAOUQNFJYLRCW-DZGCQCFKSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451000392 1035021267 /nfs/dbraw/zinc/02/12/67/1035021267.db2.gz PIAOUQNFJYLRCW-DZGCQCFKSA-N 1 2 345.393 3.566 20 0 EHADLO Brc1cncc(C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451025183 1035042453 /nfs/dbraw/zinc/04/24/53/1035042453.db2.gz PSMMUTWPUHAZLE-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cncc(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451025183 1035042479 /nfs/dbraw/zinc/04/24/79/1035042479.db2.gz PSMMUTWPUHAZLE-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C/C=C/Cl)CC1 ZINC000743851823 1131985674 /nfs/dbraw/zinc/98/56/74/1131985674.db2.gz QQVNOLQPOABTIR-VRMVNXKISA-N 1 2 343.696 3.880 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)nc(-c2ccc(Cl)cc2)n1 ZINC000570259908 1035164882 /nfs/dbraw/zinc/16/48/82/1035164882.db2.gz SUHPYYPZBVBCKG-ZDUSSCGKSA-N 1 2 341.846 3.690 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)N[C@H](C)c3cccs3)CC2)s1 ZINC000376093554 1035249102 /nfs/dbraw/zinc/24/91/02/1035249102.db2.gz IKAODYRGNNHMQJ-CYBMUJFWSA-N 1 2 349.525 3.570 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000612841937 1035254487 /nfs/dbraw/zinc/25/44/87/1035254487.db2.gz BVFQYVBACSLSTM-IAGOWNOFSA-N 1 2 339.483 3.873 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376099606 1035263348 /nfs/dbraw/zinc/26/33/48/1035263348.db2.gz YBDZOURUDZVOOJ-WSYSLRRZSA-N 1 2 343.858 3.883 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2[nH]ncc2C)cc1OC ZINC000685833012 1035364976 /nfs/dbraw/zinc/36/49/76/1035364976.db2.gz RGAUAGDAILCWID-UHFFFAOYSA-N 1 2 331.460 3.928 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2[nH]ncc2C)cc1OC ZINC000685833012 1035364980 /nfs/dbraw/zinc/36/49/80/1035364980.db2.gz RGAUAGDAILCWID-UHFFFAOYSA-N 1 2 331.460 3.928 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC2 ZINC000613125470 1035415291 /nfs/dbraw/zinc/41/52/91/1035415291.db2.gz ARXLSDBFSARISV-QRVBRYPASA-N 1 2 337.467 3.841 20 0 EHADLO Clc1ccc(-c2nc(CN3CCn4c[nH+]cc4C3)cs2)cc1 ZINC000685850293 1035416886 /nfs/dbraw/zinc/41/68/86/1035416886.db2.gz BMJRPVXDGCDWEW-UHFFFAOYSA-N 1 2 330.844 3.676 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137718 1035417142 /nfs/dbraw/zinc/41/71/42/1035417142.db2.gz DADHIVIODLRWHV-HBFSDRIKSA-N 1 2 348.437 3.963 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137718 1035417146 /nfs/dbraw/zinc/41/71/46/1035417146.db2.gz DADHIVIODLRWHV-HBFSDRIKSA-N 1 2 348.437 3.963 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613137387 1035417471 /nfs/dbraw/zinc/41/74/71/1035417471.db2.gz AOIYPBGUNZZQJT-JLSDUUJJSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613137387 1035417473 /nfs/dbraw/zinc/41/74/73/1035417473.db2.gz AOIYPBGUNZZQJT-JLSDUUJJSA-N 1 2 348.437 3.797 20 0 EHADLO CCC1CCC(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431753046 1035423705 /nfs/dbraw/zinc/42/37/05/1035423705.db2.gz JCSQIWQJMZVMIH-UHFFFAOYSA-N 1 2 339.483 3.807 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)s1 ZINC000414063710 1035426945 /nfs/dbraw/zinc/42/69/45/1035426945.db2.gz DEUPQSMXUATLHG-RNCFNFMXSA-N 1 2 336.844 3.921 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)s1 ZINC000414072281 1035443895 /nfs/dbraw/zinc/44/38/95/1035443895.db2.gz UVJULVJLSUJAKS-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1OC ZINC000636290969 1035453808 /nfs/dbraw/zinc/45/38/08/1035453808.db2.gz FROOMQPZBKVUFB-INIZCTEOSA-N 1 2 345.443 3.906 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc2n(n1)CCC2 ZINC000414083959 1035462981 /nfs/dbraw/zinc/46/29/81/1035462981.db2.gz WRZYCZQLNRZZMK-MJXNMMHHSA-N 1 2 329.419 3.539 20 0 EHADLO COC(=O)Nc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000492229514 1035501389 /nfs/dbraw/zinc/50/13/89/1035501389.db2.gz KWGZNFWBHIYPJY-UHFFFAOYSA-N 1 2 336.395 3.722 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)s1 ZINC000414101551 1035504288 /nfs/dbraw/zinc/50/42/88/1035504288.db2.gz SIHRVJMAMUOZAE-QMTHXVAHSA-N 1 2 334.416 3.797 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[C@@H](F)C1 ZINC000571492779 1035508505 /nfs/dbraw/zinc/50/85/05/1035508505.db2.gz SDBUBLLYEFKRQU-ZBFHGGJFSA-N 1 2 342.418 3.899 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784905 1035520841 /nfs/dbraw/zinc/52/08/41/1035520841.db2.gz PLOKMZPTWMIYRZ-IRXDYDNUSA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784905 1035520855 /nfs/dbraw/zinc/52/08/55/1035520855.db2.gz PLOKMZPTWMIYRZ-IRXDYDNUSA-N 1 2 343.471 3.604 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173112143 1035521878 /nfs/dbraw/zinc/52/18/78/1035521878.db2.gz QIFOFLSLDQEDKU-HOTGVXAUSA-N 1 2 344.459 3.908 20 0 EHADLO COc1ccc[nH+]c1NCC1=Cc2cc(Br)ccc2OC1 ZINC000540662798 1035554674 /nfs/dbraw/zinc/55/46/74/1035554674.db2.gz XIGLQGVMEDCWQX-UHFFFAOYSA-N 1 2 347.212 3.741 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000457002683 1035632780 /nfs/dbraw/zinc/63/27/80/1035632780.db2.gz NAXPJERQKYTZDX-GJYPPUQNSA-N 1 2 325.456 3.876 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1F ZINC000666161487 1035688833 /nfs/dbraw/zinc/68/88/33/1035688833.db2.gz JVKHMROWCQDRTR-GOSISDBHSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1F ZINC000666161487 1035688845 /nfs/dbraw/zinc/68/88/45/1035688845.db2.gz JVKHMROWCQDRTR-GOSISDBHSA-N 1 2 344.434 3.835 20 0 EHADLO COC(=O)CCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186857706 1035731544 /nfs/dbraw/zinc/73/15/44/1035731544.db2.gz FDHMRFFFQOZCNW-AWEZNQCLSA-N 1 2 347.402 3.749 20 0 EHADLO COC(=O)CCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186857706 1035731559 /nfs/dbraw/zinc/73/15/59/1035731559.db2.gz FDHMRFFFQOZCNW-AWEZNQCLSA-N 1 2 347.402 3.749 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000613392426 1035738513 /nfs/dbraw/zinc/73/85/13/1035738513.db2.gz USMKTESZADFHCI-CKEIUWERSA-N 1 2 349.837 3.830 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187221651 1035774274 /nfs/dbraw/zinc/77/42/74/1035774274.db2.gz RQVKFNIBMFOEOK-OWJWWREXSA-N 1 2 344.480 3.537 20 0 EHADLO Cc1ccc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)c(C)[nH+]1 ZINC000187158370 1035776852 /nfs/dbraw/zinc/77/68/52/1035776852.db2.gz VCRSDEXJQRZUAF-BSEYFRJRSA-N 1 2 341.436 3.758 20 0 EHADLO Fc1ccccc1COc1ccc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000187311263 1035789868 /nfs/dbraw/zinc/78/98/68/1035789868.db2.gz ZXGODWVKDJCSLK-UHFFFAOYSA-N 1 2 342.414 3.555 20 0 EHADLO Fc1ccccc1COc1ccc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000187311263 1035789883 /nfs/dbraw/zinc/78/98/83/1035789883.db2.gz ZXGODWVKDJCSLK-UHFFFAOYSA-N 1 2 342.414 3.555 20 0 EHADLO Cc1ccc(CSc2nnnn2-c2cccc(C)c2C)c(C)[nH+]1 ZINC000187303395 1035790415 /nfs/dbraw/zinc/79/04/15/1035790415.db2.gz KZHFQMLQAXPHJT-UHFFFAOYSA-N 1 2 325.441 3.583 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C)nc3C)n2)c1 ZINC000187534104 1035838032 /nfs/dbraw/zinc/83/80/32/1035838032.db2.gz OAMOBYDKPRQIPI-AWEZNQCLSA-N 1 2 338.411 3.608 20 0 EHADLO C[C@]1(C(=O)NCCCCNc2cccc[nH+]2)CCc2ccccc2C1 ZINC000463859013 1035919262 /nfs/dbraw/zinc/91/92/62/1035919262.db2.gz MDAWPGHIRUMMIU-NRFANRHFSA-N 1 2 337.467 3.585 20 0 EHADLO C[C@H]1CCCC[C@@]1(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000457289068 1035920278 /nfs/dbraw/zinc/92/02/78/1035920278.db2.gz NWZHRXRVRPNBQA-OXJNMPFZSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001625884874 1035927749 /nfs/dbraw/zinc/92/77/49/1035927749.db2.gz VOFCMVKIQRZKIC-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c(C)c[nH+]1 ZINC000535060229 1035942130 /nfs/dbraw/zinc/94/21/30/1035942130.db2.gz SSUCFYVKKMUYFV-ZDUSSCGKSA-N 1 2 340.452 3.955 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)c(C)c[nH+]1 ZINC000535061112 1035944948 /nfs/dbraw/zinc/94/49/48/1035944948.db2.gz QELKONGPBHZUAQ-KRWDZBQOSA-N 1 2 333.382 3.917 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1)c1cccs1 ZINC000174507752 1035978304 /nfs/dbraw/zinc/97/83/04/1035978304.db2.gz UZZTWXQWCFHCEM-ILXRZTDVSA-N 1 2 332.469 3.992 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1)c1cccs1 ZINC000174507752 1035978317 /nfs/dbraw/zinc/97/83/17/1035978317.db2.gz UZZTWXQWCFHCEM-ILXRZTDVSA-N 1 2 332.469 3.992 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)CCc3c[nH+]cn3C)c2)c1 ZINC000188863173 1035991394 /nfs/dbraw/zinc/99/13/94/1035991394.db2.gz FLOSQHYXBKKPQJ-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000913948767 1036019436 /nfs/dbraw/zinc/01/94/36/1036019436.db2.gz SEVMOHJSUBOBPL-OAHLLOKOSA-N 1 2 338.455 3.829 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)C1 ZINC000613478892 1036024679 /nfs/dbraw/zinc/02/46/79/1036024679.db2.gz VFXCFVUNBBQIJW-OAHLLOKOSA-N 1 2 339.439 3.624 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)C1 ZINC000613478892 1036024698 /nfs/dbraw/zinc/02/46/98/1036024698.db2.gz VFXCFVUNBBQIJW-OAHLLOKOSA-N 1 2 339.439 3.624 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)[C@@H](C)c1cccc(O)c1 ZINC000174615147 1036030297 /nfs/dbraw/zinc/03/02/97/1036030297.db2.gz ASOBJLUJIINIBZ-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)[C@@H](C)c1cccc(O)c1 ZINC000174615147 1036030319 /nfs/dbraw/zinc/03/03/19/1036030319.db2.gz ASOBJLUJIINIBZ-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164242 1036050792 /nfs/dbraw/zinc/05/07/92/1036050792.db2.gz JHDCIGJNMIMVKT-WMLDXEAASA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164242 1036050811 /nfs/dbraw/zinc/05/08/11/1036050811.db2.gz JHDCIGJNMIMVKT-WMLDXEAASA-N 1 2 342.405 3.792 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000541204208 1036077522 /nfs/dbraw/zinc/07/75/22/1036077522.db2.gz GBTFYPNWHQJUCP-SWLSCSKDSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CC[C@H](C2CC2)C1 ZINC000541204208 1036077538 /nfs/dbraw/zinc/07/75/38/1036077538.db2.gz GBTFYPNWHQJUCP-SWLSCSKDSA-N 1 2 327.346 3.651 20 0 EHADLO CC1(C)[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C[C@H]1c1ccccc1 ZINC000464066130 1036080927 /nfs/dbraw/zinc/08/09/27/1036080927.db2.gz QIXDUISITVLZED-OALUTQOASA-N 1 2 337.467 3.912 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2ccc3ccccc3c2)C1 ZINC000492638990 1036102640 /nfs/dbraw/zinc/10/26/40/1036102640.db2.gz GNKJTPBCTISDRC-GXVATQTDSA-N 1 2 331.419 3.603 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)sc1C ZINC000024751458 1036132012 /nfs/dbraw/zinc/13/20/12/1036132012.db2.gz ISCFEYUWUWXALZ-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO CCC[NH+]1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000153378400 1036141578 /nfs/dbraw/zinc/14/15/78/1036141578.db2.gz DSWWNERHZVZNKF-HXUWFJFHSA-N 1 2 349.950 3.941 20 0 EHADLO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cscn1 ZINC000063591275 1036158586 /nfs/dbraw/zinc/15/85/86/1036158586.db2.gz ITPXNHBNFAMBCG-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cscn1 ZINC000063591275 1036158595 /nfs/dbraw/zinc/15/85/95/1036158595.db2.gz ITPXNHBNFAMBCG-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO Cc1ccc(Cc2ccccn2)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000669897006 1036210382 /nfs/dbraw/zinc/21/03/82/1036210382.db2.gz AXOHJNAILIIAEY-UHFFFAOYSA-N 1 2 334.423 3.596 20 0 EHADLO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(F)ccc1F ZINC000414238372 1036226132 /nfs/dbraw/zinc/22/61/32/1036226132.db2.gz MCLBXPFBQUMZTG-INIZCTEOSA-N 1 2 339.407 3.609 20 0 EHADLO O=C(/C=C\c1cccc(-c2ccccc2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492723711 1036232156 /nfs/dbraw/zinc/23/21/56/1036232156.db2.gz XQVBJFPCGURVSS-GDCKJWNLSA-N 1 2 343.430 3.695 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259357 1036249361 /nfs/dbraw/zinc/24/93/61/1036249361.db2.gz CANWAUJMVKJNKD-KRWDZBQOSA-N 1 2 342.508 3.895 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000535264993 1036257357 /nfs/dbraw/zinc/25/73/57/1036257357.db2.gz SZUOENNLQICXLN-NSCUHMNNSA-N 1 2 340.492 3.804 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175181731 1036266274 /nfs/dbraw/zinc/26/62/74/1036266274.db2.gz YSQOORPGVSKRCC-DLBZAZTESA-N 1 2 344.503 3.792 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175192774 1036273641 /nfs/dbraw/zinc/27/36/41/1036273641.db2.gz ILXWHXOMHXAIAA-UHFFFAOYSA-N 1 2 338.407 3.902 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175192774 1036273660 /nfs/dbraw/zinc/27/36/60/1036273660.db2.gz ILXWHXOMHXAIAA-UHFFFAOYSA-N 1 2 338.407 3.902 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175299743 1036291000 /nfs/dbraw/zinc/29/10/00/1036291000.db2.gz XIRSHMCBBWCAHM-IAGOWNOFSA-N 1 2 329.469 3.666 20 0 EHADLO CC(C)Oc1ccc(C(=O)NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000457595014 1036292138 /nfs/dbraw/zinc/29/21/38/1036292138.db2.gz LRLRSERPYGHRRZ-UHFFFAOYSA-N 1 2 347.846 3.754 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000190787937 1036296025 /nfs/dbraw/zinc/29/60/25/1036296025.db2.gz JZFJLBXOYBWCFD-AWEZNQCLSA-N 1 2 325.387 3.871 20 0 EHADLO Brc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190906167 1036302123 /nfs/dbraw/zinc/30/21/23/1036302123.db2.gz KKQYDFUWCGFZAY-UHFFFAOYSA-N 1 2 342.240 3.925 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1noc(C2CC2)n1 ZINC000190963385 1036311145 /nfs/dbraw/zinc/31/11/45/1036311145.db2.gz GNSSLFMGGPXLQT-UHFFFAOYSA-N 1 2 326.425 3.875 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)C1CCC1 ZINC000457599760 1036311404 /nfs/dbraw/zinc/31/14/04/1036311404.db2.gz CEZXVLVWKOTGIA-INIZCTEOSA-N 1 2 329.488 3.583 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nn1 ZINC000191178092 1036325839 /nfs/dbraw/zinc/32/58/39/1036325839.db2.gz RCCJWJRSBPMZDQ-UHFFFAOYSA-N 1 2 339.443 3.554 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(SC(C)C)cc2)no1 ZINC000589278568 1036337230 /nfs/dbraw/zinc/33/72/30/1036337230.db2.gz LESDUQGKUCXMNM-UHFFFAOYSA-N 1 2 348.468 3.987 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000457635878 1036338332 /nfs/dbraw/zinc/33/83/32/1036338332.db2.gz BBBLEJLHKIWGGC-VQIMIIECSA-N 1 2 325.456 3.659 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191191023 1036344218 /nfs/dbraw/zinc/34/42/18/1036344218.db2.gz FVQVDDWCFHZAID-GOSISDBHSA-N 1 2 328.460 3.769 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191191023 1036344237 /nfs/dbraw/zinc/34/42/37/1036344237.db2.gz FVQVDDWCFHZAID-GOSISDBHSA-N 1 2 328.460 3.769 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000191238582 1036352303 /nfs/dbraw/zinc/35/23/03/1036352303.db2.gz AUBOOFUVZDAWHL-IBGZPJMESA-N 1 2 343.446 3.639 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000191238582 1036352326 /nfs/dbraw/zinc/35/23/26/1036352326.db2.gz AUBOOFUVZDAWHL-IBGZPJMESA-N 1 2 343.446 3.639 20 0 EHADLO COC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000191552408 1036413299 /nfs/dbraw/zinc/41/32/99/1036413299.db2.gz OSNIUTDDWFJKHA-SFHVURJKSA-N 1 2 343.377 3.628 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3nn(C(C)C)cc3c2)cc(C)[nH+]1 ZINC000572711479 1036463445 /nfs/dbraw/zinc/46/34/45/1036463445.db2.gz HXTWYDWIQYXXQS-UHFFFAOYSA-N 1 2 337.427 3.951 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000457746742 1036473876 /nfs/dbraw/zinc/47/38/76/1036473876.db2.gz LGCNIAHXAKTSSC-VXGBXAGGSA-N 1 2 334.407 3.542 20 0 EHADLO Cc1ccsc1CNC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192193463 1036487482 /nfs/dbraw/zinc/48/74/82/1036487482.db2.gz PLGUWVWWFSGDIF-UHFFFAOYSA-N 1 2 326.421 3.608 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000414292282 1036502232 /nfs/dbraw/zinc/50/22/32/1036502232.db2.gz BYAAQCSUZIKSKX-OLZOCXBDSA-N 1 2 347.488 3.824 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000669334229 1036515662 /nfs/dbraw/zinc/51/56/62/1036515662.db2.gz AEZYMPAFEUNVAY-ROUUACIJSA-N 1 2 337.467 3.791 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000457812010 1036524988 /nfs/dbraw/zinc/52/49/88/1036524988.db2.gz ITLGHWOUWSAIJP-WMLDXEAASA-N 1 2 346.862 3.862 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000457811993 1036525633 /nfs/dbraw/zinc/52/56/33/1036525633.db2.gz ITLGHWOUWSAIJP-RHSMWYFYSA-N 1 2 346.862 3.862 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)cn1 ZINC000541645601 1036537103 /nfs/dbraw/zinc/53/71/03/1036537103.db2.gz UDJUJVSDZJSBLS-STQMWFEESA-N 1 2 325.416 3.525 20 0 EHADLO c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]Cc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000414305534 1036558368 /nfs/dbraw/zinc/55/83/68/1036558368.db2.gz NMGMTGPHSFLXIY-PKOBYXMFSA-N 1 2 347.466 3.758 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000332924752 1036580844 /nfs/dbraw/zinc/58/08/44/1036580844.db2.gz XCSVZQNZTMCXHM-RDJZCZTQSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000332924752 1036580847 /nfs/dbraw/zinc/58/08/47/1036580847.db2.gz XCSVZQNZTMCXHM-RDJZCZTQSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc12 ZINC000589705241 1036598577 /nfs/dbraw/zinc/59/85/77/1036598577.db2.gz GCBFXVPGFYNXGY-SFHVURJKSA-N 1 2 349.434 3.751 20 0 EHADLO Cc1cccn2cc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc12 ZINC000589705241 1036598587 /nfs/dbraw/zinc/59/85/87/1036598587.db2.gz GCBFXVPGFYNXGY-SFHVURJKSA-N 1 2 349.434 3.751 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176383156 1036612021 /nfs/dbraw/zinc/61/20/21/1036612021.db2.gz RQYGQVUFOKRXHK-RDJZCZTQSA-N 1 2 343.471 3.535 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(OC2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000176399662 1036613266 /nfs/dbraw/zinc/61/32/66/1036613266.db2.gz ODTCJKBUSGXUCF-INIZCTEOSA-N 1 2 341.455 3.661 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000493089371 1036662555 /nfs/dbraw/zinc/66/25/55/1036662555.db2.gz SRIMKOUOWFCAHF-HJWRWDBZSA-N 1 2 347.422 3.600 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000535590593 1036713455 /nfs/dbraw/zinc/71/34/55/1036713455.db2.gz BQQZRCXOHPTRMB-INIZCTEOSA-N 1 2 346.519 3.629 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCCc3ccncc3)CCO2)cc1Cl ZINC000462322919 1036832740 /nfs/dbraw/zinc/83/27/40/1036832740.db2.gz RTLGPXZXDMOEDP-GOSISDBHSA-N 1 2 334.822 3.880 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCCc3ccncc3)CCO2)cc1Cl ZINC000462322919 1036832753 /nfs/dbraw/zinc/83/27/53/1036832753.db2.gz RTLGPXZXDMOEDP-GOSISDBHSA-N 1 2 334.822 3.880 20 0 EHADLO C[C@]1(C[NH2+]Cc2ccc(C(=O)[O-])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000263382443 1036839329 /nfs/dbraw/zinc/83/93/29/1036839329.db2.gz CBSIVZHLVBXMAS-OAQYLSRUSA-N 1 2 338.451 3.529 20 0 EHADLO C[C@]1(C[NH2+]Cc2ccc(C(=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000263382443 1036839338 /nfs/dbraw/zinc/83/93/38/1036839338.db2.gz CBSIVZHLVBXMAS-OAQYLSRUSA-N 1 2 338.451 3.529 20 0 EHADLO Fc1cccn2cc(C[NH2+]Cc3ccsc3Br)nc12 ZINC000669830755 1036858768 /nfs/dbraw/zinc/85/87/68/1036858768.db2.gz OKCKXQMTKNTFFD-UHFFFAOYSA-N 1 2 340.221 3.587 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177593985 1036888022 /nfs/dbraw/zinc/88/80/22/1036888022.db2.gz VSCGWJQZNDNAAI-GOSISDBHSA-N 1 2 336.439 3.921 20 0 EHADLO OC[C@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000541956131 1036899334 /nfs/dbraw/zinc/89/93/34/1036899334.db2.gz QOPLENREYBSMGQ-KRWDZBQOSA-N 1 2 328.799 3.818 20 0 EHADLO CCc1ccc(C(C)(C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177767385 1036928792 /nfs/dbraw/zinc/92/87/92/1036928792.db2.gz BQIBTZLLAFFUAT-UHFFFAOYSA-N 1 2 336.439 3.631 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)o1 ZINC000623541828 1036963077 /nfs/dbraw/zinc/96/30/77/1036963077.db2.gz ZRFXNZMSYRLABX-UHFFFAOYSA-N 1 2 332.297 3.607 20 0 EHADLO CCn1ccnc1C[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000666405404 1036973840 /nfs/dbraw/zinc/97/38/40/1036973840.db2.gz SZTJHDVGLRVLBS-UHFFFAOYSA-N 1 2 331.463 3.899 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000360108967 1036989077 /nfs/dbraw/zinc/98/90/77/1036989077.db2.gz CBZQVZRQAKIYPA-UHFFFAOYSA-N 1 2 348.450 3.641 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532635 1036994784 /nfs/dbraw/zinc/99/47/84/1036994784.db2.gz VKQNSVNRNANFMK-KGLIPLIRSA-N 1 2 348.541 3.884 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532635 1036994800 /nfs/dbraw/zinc/99/48/00/1036994800.db2.gz VKQNSVNRNANFMK-KGLIPLIRSA-N 1 2 348.541 3.884 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590726545 1037008367 /nfs/dbraw/zinc/00/83/67/1037008367.db2.gz DKWGYHBJUVOFKN-MRXNPFEDSA-N 1 2 329.469 3.861 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728175 1037008838 /nfs/dbraw/zinc/00/88/38/1037008838.db2.gz RQHAAHSPQICCII-INIZCTEOSA-N 1 2 347.846 3.559 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccc(C)s2)c1C ZINC000057618057 1037014204 /nfs/dbraw/zinc/01/42/04/1037014204.db2.gz PEELLJCFPQMCES-CQSZACIVSA-N 1 2 347.484 3.980 20 0 EHADLO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000539651892 1037024980 /nfs/dbraw/zinc/02/49/80/1037024980.db2.gz XQRTZBYTCBUSNL-YJBOKZPZSA-N 1 2 348.487 3.668 20 0 EHADLO Cc1c(C(=O)NCc2ccn3cc[nH+]c3c2)oc2c1c(C)ccc2C ZINC000178355375 1037026345 /nfs/dbraw/zinc/02/63/45/1037026345.db2.gz XFLWVLXFOIYFMU-UHFFFAOYSA-N 1 2 333.391 3.936 20 0 EHADLO Cc1sc2nc(C)nc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1C ZINC000590770318 1037031586 /nfs/dbraw/zinc/03/15/86/1037031586.db2.gz LENRBDYWTIPBES-AWEZNQCLSA-N 1 2 327.457 3.655 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)c1 ZINC000024792051 1037059863 /nfs/dbraw/zinc/05/98/63/1037059863.db2.gz NBIHCANDWANFBL-UHFFFAOYSA-N 1 2 332.451 3.569 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CC3)n2)C1 ZINC000590798781 1037062161 /nfs/dbraw/zinc/06/21/61/1037062161.db2.gz NKIWFWQAXLZODJ-XJKSGUPXSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CC3)n2)C1 ZINC000590798781 1037062181 /nfs/dbraw/zinc/06/21/81/1037062181.db2.gz NKIWFWQAXLZODJ-XJKSGUPXSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000470947091 1037066087 /nfs/dbraw/zinc/06/60/87/1037066087.db2.gz PCCHYPNBWRBKCK-WCBMZHEXSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000470947091 1037066108 /nfs/dbraw/zinc/06/61/08/1037066108.db2.gz PCCHYPNBWRBKCK-WCBMZHEXSA-N 1 2 338.732 3.690 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542114948 1037071220 /nfs/dbraw/zinc/07/12/20/1037071220.db2.gz XAFNVEKJPKOCHX-DLBZAZTESA-N 1 2 334.508 3.910 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487275 1037071822 /nfs/dbraw/zinc/07/18/22/1037071822.db2.gz MCWAZSQPYRWVRZ-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487275 1037071843 /nfs/dbraw/zinc/07/18/43/1037071843.db2.gz MCWAZSQPYRWVRZ-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000178695194 1037080214 /nfs/dbraw/zinc/08/02/14/1037080214.db2.gz VDDNGEABABELJS-QZTJIDSGSA-N 1 2 338.455 3.501 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000590853769 1037100193 /nfs/dbraw/zinc/10/01/93/1037100193.db2.gz AFBDANOZOOFPPY-UKRRQHHQSA-N 1 2 332.473 3.669 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590854790 1037100501 /nfs/dbraw/zinc/10/05/01/1037100501.db2.gz WHANCUCOYWDOIP-OAHLLOKOSA-N 1 2 340.452 3.645 20 0 EHADLO CC(C)(CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590861990 1037105251 /nfs/dbraw/zinc/10/52/51/1037105251.db2.gz GYMWOHKEDKJPMX-SFHVURJKSA-N 1 2 340.471 3.598 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590870171 1037108960 /nfs/dbraw/zinc/10/89/60/1037108960.db2.gz NPBQLQAUAOBAJP-KRWDZBQOSA-N 1 2 346.862 3.516 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590871112 1037109045 /nfs/dbraw/zinc/10/90/45/1037109045.db2.gz OBHMXXNEBUWWIW-BZSNNMDCSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1 ZINC000176681446 1037113625 /nfs/dbraw/zinc/11/36/25/1037113625.db2.gz FOCTZRKFDWZKHT-NRFANRHFSA-N 1 2 328.419 3.917 20 0 EHADLO CCOc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761565018 1037153680 /nfs/dbraw/zinc/15/36/80/1037153680.db2.gz XDDZRZXNJIHUIL-UHFFFAOYSA-N 1 2 332.363 3.988 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC000176348538 1037214764 /nfs/dbraw/zinc/21/47/64/1037214764.db2.gz LMYOQXRJQXSXEQ-AWEZNQCLSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC000176348538 1037214772 /nfs/dbraw/zinc/21/47/72/1037214772.db2.gz LMYOQXRJQXSXEQ-AWEZNQCLSA-N 1 2 339.505 3.591 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc(C2CC2)s1 ZINC000591147969 1037249532 /nfs/dbraw/zinc/24/95/32/1037249532.db2.gz SWBNVIZZIOPLNN-UHFFFAOYSA-N 1 2 328.372 3.598 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000052661445 1037256769 /nfs/dbraw/zinc/25/67/69/1037256769.db2.gz PYULHUKVWFEDHL-DYESRHJHSA-N 1 2 348.446 3.972 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000052710690 1037267586 /nfs/dbraw/zinc/26/75/86/1037267586.db2.gz RSRJWVUECPRGLY-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000052710690 1037267604 /nfs/dbraw/zinc/26/76/04/1037267604.db2.gz RSRJWVUECPRGLY-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000106136218 1037304778 /nfs/dbraw/zinc/30/47/78/1037304778.db2.gz SKBFQCHFZXMLGI-LSDHHAIUSA-N 1 2 346.450 3.772 20 0 EHADLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106141926 1037307492 /nfs/dbraw/zinc/30/74/92/1037307492.db2.gz JCLXBGMXFXEYNI-HNNXBMFYSA-N 1 2 346.906 3.569 20 0 EHADLO CCS[C@@H](C)c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000532459193 1037344714 /nfs/dbraw/zinc/34/47/14/1037344714.db2.gz QIKKSOWIHJGXPH-LBPRGKRZSA-N 1 2 330.413 3.648 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cnc4ccc(C)cn34)co2)cc1 ZINC000157299874 1037353291 /nfs/dbraw/zinc/35/32/91/1037353291.db2.gz LUNIPFKNLBRHJM-UHFFFAOYSA-N 1 2 332.407 3.896 20 0 EHADLO C[C@H](Cc1cccs1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301072834 1037354973 /nfs/dbraw/zinc/35/49/73/1037354973.db2.gz GCEBVLCCMWGCRU-CYBMUJFWSA-N 1 2 335.436 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591385240 1037362693 /nfs/dbraw/zinc/36/26/93/1037362693.db2.gz UKYDOWBQSRCYFH-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591385240 1037362706 /nfs/dbraw/zinc/36/27/06/1037362706.db2.gz UKYDOWBQSRCYFH-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C1(C)C ZINC000462803762 1037423957 /nfs/dbraw/zinc/42/39/57/1037423957.db2.gz OSFDKLVBMJQXMZ-RCCFBDPRSA-N 1 2 345.462 3.830 20 0 EHADLO CC(C)N(Cc1ccc(Br)cc1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493508808 1037435323 /nfs/dbraw/zinc/43/53/23/1037435323.db2.gz AOWIBCMZEYPFDU-FPLPWBNLSA-N 1 2 348.244 3.623 20 0 EHADLO Cc1nc(N(C)CCOc2ccc(OCc3ccccc3)cc2)cc[nH+]1 ZINC000462839924 1037463284 /nfs/dbraw/zinc/46/32/84/1037463284.db2.gz JXIJDMBVTLPEPO-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO O=C(/C=C\C1CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000493541007 1037463984 /nfs/dbraw/zinc/46/39/84/1037463984.db2.gz BGMMJCAEGDGGDA-KTKRTIGZSA-N 1 2 325.412 3.647 20 0 EHADLO FC(F)Oc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187697998 1037465561 /nfs/dbraw/zinc/46/55/61/1037465561.db2.gz HNLJQDLNEQFHOU-MRXNPFEDSA-N 1 2 329.350 3.890 20 0 EHADLO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000669854667 1037472214 /nfs/dbraw/zinc/47/22/14/1037472214.db2.gz MEIUOIMSSZIWMF-CQSZACIVSA-N 1 2 340.452 3.553 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177396890 1037510463 /nfs/dbraw/zinc/51/04/63/1037510463.db2.gz GKCRNMQASFMLFB-INIZCTEOSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177396890 1037510473 /nfs/dbraw/zinc/51/04/73/1037510473.db2.gz GKCRNMQASFMLFB-INIZCTEOSA-N 1 2 342.464 3.732 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000591597221 1037521827 /nfs/dbraw/zinc/52/18/27/1037521827.db2.gz AZVCCAFMCMTFBX-IRXDYDNUSA-N 1 2 332.492 3.788 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(c3cccc(F)c3)CC2)cs1 ZINC000377992601 1037614859 /nfs/dbraw/zinc/61/48/59/1037614859.db2.gz JJROVAHZPWRHQA-UHFFFAOYSA-N 1 2 333.432 3.620 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1sccc1Br ZINC000540155663 1037630501 /nfs/dbraw/zinc/63/05/01/1037630501.db2.gz AWYWJDJNOUXNQA-GZMMTYOYSA-N 1 2 326.263 3.962 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1sccc1Br ZINC000540155663 1037630508 /nfs/dbraw/zinc/63/05/08/1037630508.db2.gz AWYWJDJNOUXNQA-GZMMTYOYSA-N 1 2 326.263 3.962 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000573676021 1037659402 /nfs/dbraw/zinc/65/94/02/1037659402.db2.gz DSEMOBMOGNQJKR-UHFFFAOYSA-N 1 2 338.455 3.765 20 0 EHADLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cn1 ZINC000532574080 1037678778 /nfs/dbraw/zinc/67/87/78/1037678778.db2.gz FAEDLJCPEAHHSQ-INIZCTEOSA-N 1 2 342.487 3.794 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cn1 ZINC000532574080 1037678784 /nfs/dbraw/zinc/67/87/84/1037678784.db2.gz FAEDLJCPEAHHSQ-INIZCTEOSA-N 1 2 342.487 3.794 20 0 EHADLO CSCC[C@@H](Nc1cc2c3c(c1)CCC[NH+]3CCC2)C(C)(C)O ZINC001168212950 1037679741 /nfs/dbraw/zinc/67/97/41/1037679741.db2.gz NBLPOGFRDJBMEW-QGZVFWFLSA-N 1 2 334.529 3.690 20 0 EHADLO CC(C)C[N@H+](Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1CC1 ZINC000129736444 1037688655 /nfs/dbraw/zinc/68/86/55/1037688655.db2.gz REXFYXDPYCFUQN-UHFFFAOYSA-N 1 2 334.464 3.835 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1CC1 ZINC000129736444 1037688671 /nfs/dbraw/zinc/68/86/71/1037688671.db2.gz REXFYXDPYCFUQN-UHFFFAOYSA-N 1 2 334.464 3.835 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c(C)c1 ZINC000646133209 1037701945 /nfs/dbraw/zinc/70/19/45/1037701945.db2.gz OJXYYOFMOQCMNH-DLBZAZTESA-N 1 2 330.472 3.664 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)OC3(CCCC3)C2)c(C)c1 ZINC000646133209 1037701965 /nfs/dbraw/zinc/70/19/65/1037701965.db2.gz OJXYYOFMOQCMNH-DLBZAZTESA-N 1 2 330.472 3.664 20 0 EHADLO CC(C)(C)c1cc(C(=O)NCCn2cc[nH+]c2)cc(C(C)(C)C)c1O ZINC000181964628 1037727405 /nfs/dbraw/zinc/72/74/05/1037727405.db2.gz OREGZGPVHKSAKV-UHFFFAOYSA-N 1 2 343.471 3.614 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540223396 1037728094 /nfs/dbraw/zinc/72/80/94/1037728094.db2.gz ILYXSRCYEYPTJE-UHOFOFEASA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540223396 1037728112 /nfs/dbraw/zinc/72/81/12/1037728112.db2.gz ILYXSRCYEYPTJE-UHOFOFEASA-N 1 2 338.854 3.777 20 0 EHADLO Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC000172939078 1037776387 /nfs/dbraw/zinc/77/63/87/1037776387.db2.gz RGRALVWUWJTARU-SFHVURJKSA-N 1 2 333.391 3.636 20 0 EHADLO C=C/C=C/CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222679 1037793769 /nfs/dbraw/zinc/79/37/69/1037793769.db2.gz MVOWKEZAFDANAF-LLYBFZRZSA-N 1 2 338.245 3.727 20 0 EHADLO C=C/C=C/CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222679 1037793783 /nfs/dbraw/zinc/79/37/83/1037793783.db2.gz MVOWKEZAFDANAF-LLYBFZRZSA-N 1 2 338.245 3.727 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378071478 1037811227 /nfs/dbraw/zinc/81/12/27/1037811227.db2.gz FSTFKGNMCBCESF-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378071478 1037811249 /nfs/dbraw/zinc/81/12/49/1037811249.db2.gz FSTFKGNMCBCESF-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(N(C)C)[nH+]1 ZINC000152892271 1037823340 /nfs/dbraw/zinc/82/33/40/1037823340.db2.gz AJWVBXKBNYNTPC-UHFFFAOYSA-N 1 2 341.459 3.537 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378081073 1037857200 /nfs/dbraw/zinc/85/72/00/1037857200.db2.gz WPFVOPOOHBHJAX-KXBFYZLASA-N 1 2 325.456 3.946 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378081073 1037857211 /nfs/dbraw/zinc/85/72/11/1037857211.db2.gz WPFVOPOOHBHJAX-KXBFYZLASA-N 1 2 325.456 3.946 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cc(OC)ccc2OC(F)F)n1 ZINC000494154714 1037870368 /nfs/dbraw/zinc/87/03/68/1037870368.db2.gz VAPMHIGTUMIJBQ-UHFFFAOYSA-N 1 2 342.411 3.995 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2OC)C2CC2)s1 ZINC000162970812 1037876738 /nfs/dbraw/zinc/87/67/38/1037876738.db2.gz HPAMVUHAYUZATC-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2OC)C2CC2)s1 ZINC000162970812 1037876759 /nfs/dbraw/zinc/87/67/59/1037876759.db2.gz HPAMVUHAYUZATC-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3nc4ccc(F)cc4o3)C2)no1 ZINC000378091319 1037879916 /nfs/dbraw/zinc/87/99/16/1037879916.db2.gz QCRGWPVOLLVPLI-GFCCVEGCSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)no1 ZINC000378091319 1037879925 /nfs/dbraw/zinc/87/99/25/1037879925.db2.gz QCRGWPVOLLVPLI-GFCCVEGCSA-N 1 2 344.390 3.853 20 0 EHADLO OCC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1cccc(F)c1 ZINC000494223081 1037914187 /nfs/dbraw/zinc/91/41/87/1037914187.db2.gz KETYOGFKFGWZAL-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1cccc(F)c1 ZINC000494223081 1037914203 /nfs/dbraw/zinc/91/42/03/1037914203.db2.gz KETYOGFKFGWZAL-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCSc2ccccc2)c[nH+]1 ZINC000454175662 1037925149 /nfs/dbraw/zinc/92/51/49/1037925149.db2.gz RNMPPRSVHWBLDY-UHFFFAOYSA-N 1 2 329.469 3.680 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccsc3)nc(=O)c2c1C ZINC000128414312 1037927309 /nfs/dbraw/zinc/92/73/09/1037927309.db2.gz XEMGBBLTCYEDDJ-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccsc3)nc(=O)c2c1C ZINC000128414312 1037927319 /nfs/dbraw/zinc/92/73/19/1037927319.db2.gz XEMGBBLTCYEDDJ-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO Cc1cccc(C)c1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000179812559 1037931938 /nfs/dbraw/zinc/93/19/38/1037931938.db2.gz ODEILMQCCKIRPH-UHFFFAOYSA-N 1 2 349.434 3.760 20 0 EHADLO c1coc(-c2nc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)cs2)c1 ZINC000540430503 1037935995 /nfs/dbraw/zinc/93/59/95/1037935995.db2.gz OSSCKAUBEUNYKJ-UHFFFAOYSA-N 1 2 340.404 3.911 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573965859 1037956227 /nfs/dbraw/zinc/95/62/27/1037956227.db2.gz JANHFMVWOKIFEC-SFHVURJKSA-N 1 2 339.483 3.901 20 0 EHADLO CC(C)c1csc(C[NH2+]Cc2cncc(Br)c2)n1 ZINC000183735540 1037967828 /nfs/dbraw/zinc/96/78/28/1037967828.db2.gz ZENBCEKFNFEICH-UHFFFAOYSA-N 1 2 326.263 3.714 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532625121 1037971498 /nfs/dbraw/zinc/97/14/98/1037971498.db2.gz HYVTTXJRQRYOIB-CYBMUJFWSA-N 1 2 332.469 3.817 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532625121 1037971510 /nfs/dbraw/zinc/97/15/10/1037971510.db2.gz HYVTTXJRQRYOIB-CYBMUJFWSA-N 1 2 332.469 3.817 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccc(OCc2ccccc2)c1 ZINC000492088028 1037973888 /nfs/dbraw/zinc/97/38/88/1037973888.db2.gz KWPPTZJFHVVBDD-KHPPLWFESA-N 1 2 347.418 3.627 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546919115 1038018754 /nfs/dbraw/zinc/01/87/54/1038018754.db2.gz FSJSFHUAEIJHLJ-ZWNOBZJWSA-N 1 2 342.270 3.590 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546919115 1038018766 /nfs/dbraw/zinc/01/87/66/1038018766.db2.gz FSJSFHUAEIJHLJ-ZWNOBZJWSA-N 1 2 342.270 3.590 20 0 EHADLO CCCn1c(C)cc(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)c1C ZINC000741029502 1038062362 /nfs/dbraw/zinc/06/23/62/1038062362.db2.gz QDVQIVYRDOXWBX-QGZVFWFLSA-N 1 2 348.487 3.505 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000123802023 1038080832 /nfs/dbraw/zinc/08/08/32/1038080832.db2.gz UDZVCGCCFNUAGN-CJXUKZFBSA-N 1 2 349.478 3.587 20 0 EHADLO O=C(C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1)NCC1CC1 ZINC000463370453 1038084007 /nfs/dbraw/zinc/08/40/07/1038084007.db2.gz TWVONZOMFPLNFI-UHFFFAOYSA-N 1 2 341.282 3.699 20 0 EHADLO CC[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123824728 1038086351 /nfs/dbraw/zinc/08/63/51/1038086351.db2.gz BGSYDMURSONINJ-QAPCUYQASA-N 1 2 343.446 3.534 20 0 EHADLO O=C1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC001143503484 1038219851 /nfs/dbraw/zinc/21/98/51/1038219851.db2.gz UWQRIULVUYINCY-UHFFFAOYSA-N 1 2 347.764 3.683 20 0 EHADLO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[NH+](C2CC2)CC1 ZINC000124853707 1038245954 /nfs/dbraw/zinc/24/59/54/1038245954.db2.gz TYJIWTVXGKCBJX-UHFFFAOYSA-N 1 2 330.815 3.520 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@@H](C)C3)cn2c1 ZINC000042740362 1038249428 /nfs/dbraw/zinc/24/94/28/1038249428.db2.gz GUQURSMYFQBZTQ-HIFRSBDPSA-N 1 2 331.485 3.571 20 0 EHADLO CC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)s1 ZINC000651344262 1038276615 /nfs/dbraw/zinc/27/66/15/1038276615.db2.gz ZQOMLNPZOOHUOX-LBPRGKRZSA-N 1 2 337.876 3.744 20 0 EHADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000043182850 1038292613 /nfs/dbraw/zinc/29/26/13/1038292613.db2.gz ZCWDTLCQFOEOTM-CYBMUJFWSA-N 1 2 332.835 3.597 20 0 EHADLO COc1sc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1Br ZINC000538727289 1038494447 /nfs/dbraw/zinc/49/44/47/1038494447.db2.gz GVIHXTDHCCAEQP-DTWKUNHWSA-N 1 2 336.320 3.845 20 0 EHADLO COc1sc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1Br ZINC000538727289 1038494453 /nfs/dbraw/zinc/49/44/53/1038494453.db2.gz GVIHXTDHCCAEQP-DTWKUNHWSA-N 1 2 336.320 3.845 20 0 EHADLO CC[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@H](C)CS(C)(=O)=O ZINC000538731903 1038498774 /nfs/dbraw/zinc/49/87/74/1038498774.db2.gz XLDCWHVZBURUSX-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO CC[N@@H+](Cc1cccc(Oc2ccccc2)c1)[C@H](C)CS(C)(=O)=O ZINC000538731903 1038498777 /nfs/dbraw/zinc/49/87/77/1038498777.db2.gz XLDCWHVZBURUSX-MRXNPFEDSA-N 1 2 347.480 3.734 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728745584 1038499628 /nfs/dbraw/zinc/49/96/28/1038499628.db2.gz FGYVVHJYMIBFDV-GDBMZVCRSA-N 1 2 346.862 3.514 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000538725335 1038506780 /nfs/dbraw/zinc/50/67/80/1038506780.db2.gz OKCDTCKKSCAVGA-LJQANCHMSA-N 1 2 337.423 3.689 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000538725335 1038506784 /nfs/dbraw/zinc/50/67/84/1038506784.db2.gz OKCDTCKKSCAVGA-LJQANCHMSA-N 1 2 337.423 3.689 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000667135003 1038512203 /nfs/dbraw/zinc/51/22/03/1038512203.db2.gz OGWQCAKEBDIDNX-QAPCUYQASA-N 1 2 325.456 3.967 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000538798098 1038536573 /nfs/dbraw/zinc/53/65/73/1038536573.db2.gz NMNSRHRDDPKTQO-UHFFFAOYSA-N 1 2 347.405 3.938 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000538798098 1038536583 /nfs/dbraw/zinc/53/65/83/1038536583.db2.gz NMNSRHRDDPKTQO-UHFFFAOYSA-N 1 2 347.405 3.938 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC000538786955 1038541278 /nfs/dbraw/zinc/54/12/78/1038541278.db2.gz WIVZDAMUTAJORP-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC000538786955 1038541282 /nfs/dbraw/zinc/54/12/82/1038541282.db2.gz WIVZDAMUTAJORP-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO C[C@@H](CNC(=O)CCCc1ccc2c(c1)CCCC2)Cn1cc[nH+]c1 ZINC000651370641 1038591463 /nfs/dbraw/zinc/59/14/63/1038591463.db2.gz ZKCJWYOUFCXSOT-KRWDZBQOSA-N 1 2 339.483 3.537 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000472982082 1038603073 /nfs/dbraw/zinc/60/30/73/1038603073.db2.gz AKQJSESNBSLGJM-JKSUJKDBSA-N 1 2 340.471 3.981 20 0 EHADLO OCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000339172685 1038619353 /nfs/dbraw/zinc/61/93/53/1038619353.db2.gz NLEUCRYTQJQBNE-QGZVFWFLSA-N 1 2 347.256 3.674 20 0 EHADLO OCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000339172685 1038619355 /nfs/dbraw/zinc/61/93/55/1038619355.db2.gz NLEUCRYTQJQBNE-QGZVFWFLSA-N 1 2 347.256 3.674 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cscn1 ZINC000539092178 1038680279 /nfs/dbraw/zinc/68/02/79/1038680279.db2.gz YPBFSJYGQIPRIX-ZDUSSCGKSA-N 1 2 341.436 3.517 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([S@](C)=O)cc1 ZINC000893247881 1038693513 /nfs/dbraw/zinc/69/35/13/1038693513.db2.gz IOIRTVDTLCZKTE-CLTRCRFRSA-N 1 2 348.415 3.750 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667204769 1038695941 /nfs/dbraw/zinc/69/59/41/1038695941.db2.gz ANMKWDLCGBFBMF-UHFFFAOYSA-N 1 2 330.476 3.589 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000539226543 1038739693 /nfs/dbraw/zinc/73/96/93/1038739693.db2.gz NXYQUBSQFHNHEI-VIFPVBQESA-N 1 2 326.293 3.532 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)sc1Br ZINC000549446238 1038745128 /nfs/dbraw/zinc/74/51/28/1038745128.db2.gz JQMPXGONCDFSOB-QMMMGPOBSA-N 1 2 326.206 3.633 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)sc1Br ZINC000549446238 1038745132 /nfs/dbraw/zinc/74/51/32/1038745132.db2.gz JQMPXGONCDFSOB-QMMMGPOBSA-N 1 2 326.206 3.633 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)F ZINC000363889942 1038785728 /nfs/dbraw/zinc/78/57/28/1038785728.db2.gz YWFJVNCSHZRUCQ-ZDUSSCGKSA-N 1 2 346.397 3.666 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)F ZINC000363889942 1038785737 /nfs/dbraw/zinc/78/57/37/1038785737.db2.gz YWFJVNCSHZRUCQ-ZDUSSCGKSA-N 1 2 346.397 3.666 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)cc1 ZINC000378650750 1038826234 /nfs/dbraw/zinc/82/62/34/1038826234.db2.gz XJAUBGZALSFDBR-NRFANRHFSA-N 1 2 345.446 3.870 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000923961209 1038831798 /nfs/dbraw/zinc/83/17/98/1038831798.db2.gz DRUPZFUYHWWNEF-DZGCQCFKSA-N 1 2 345.443 3.861 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000923961209 1038831823 /nfs/dbraw/zinc/83/18/23/1038831823.db2.gz DRUPZFUYHWWNEF-DZGCQCFKSA-N 1 2 345.443 3.861 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000488100577 1038857867 /nfs/dbraw/zinc/85/78/67/1038857867.db2.gz GCQNYKJEUNXFHD-HYVNUMGLSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000488100577 1038857893 /nfs/dbraw/zinc/85/78/93/1038857893.db2.gz GCQNYKJEUNXFHD-HYVNUMGLSA-N 1 2 344.282 3.804 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000539378009 1038866148 /nfs/dbraw/zinc/86/61/48/1038866148.db2.gz YWYUMQXRFWOZST-GFCCVEGCSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1c(F)cccc1Cl ZINC000539376926 1038867229 /nfs/dbraw/zinc/86/72/29/1038867229.db2.gz NSPMXSPRNAEMRK-LBPRGKRZSA-N 1 2 326.843 3.969 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ncsc1C1CC1 ZINC000893266355 1038872867 /nfs/dbraw/zinc/87/28/67/1038872867.db2.gz OTEDLSDSRRKIBJ-UHFFFAOYSA-N 1 2 348.378 3.596 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000416681775 1038893352 /nfs/dbraw/zinc/89/33/52/1038893352.db2.gz KJGJFUBUCLPSHB-ZWKOTPCHSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035060 1038901576 /nfs/dbraw/zinc/90/15/76/1038901576.db2.gz FTQXBVBJLHIWMS-QAQDUYKDSA-N 1 2 343.858 3.817 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@](C)(C(F)F)O1 ZINC000668826031 1038907748 /nfs/dbraw/zinc/90/77/48/1038907748.db2.gz ZXSIODPMZKBGHT-FZKQIMNGSA-N 1 2 349.381 3.513 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@](C)(C(F)F)O1 ZINC000668826031 1038907768 /nfs/dbraw/zinc/90/77/68/1038907768.db2.gz ZXSIODPMZKBGHT-FZKQIMNGSA-N 1 2 349.381 3.513 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)nc(C)n1 ZINC000660070044 1038918507 /nfs/dbraw/zinc/91/85/07/1038918507.db2.gz NQZJCPJTSAAMJR-IBGZPJMESA-N 1 2 335.455 3.707 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)nc(C)n1 ZINC000660070044 1038918520 /nfs/dbraw/zinc/91/85/20/1038918520.db2.gz NQZJCPJTSAAMJR-IBGZPJMESA-N 1 2 335.455 3.707 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000488163789 1038925918 /nfs/dbraw/zinc/92/59/18/1038925918.db2.gz GDCQWNKKEGOFIT-MRVPVSSYSA-N 1 2 335.185 3.701 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)n2)cc1 ZINC000668466546 1038948733 /nfs/dbraw/zinc/94/87/33/1038948733.db2.gz UFAGXFKAIHUHNH-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO c1csc(-c2n[nH]cc2CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000124570148 1038982380 /nfs/dbraw/zinc/98/23/80/1038982380.db2.gz FNXBRDMUAVHSGH-UHFFFAOYSA-N 1 2 325.441 3.746 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2nc(-c3ccccc3)no2)c1 ZINC000554179363 1039002509 /nfs/dbraw/zinc/00/25/09/1039002509.db2.gz LIQCQRLLBKLMMB-UHFFFAOYSA-N 1 2 327.409 3.882 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)[C@H](CC)CN1C(C)=O ZINC000432750122 1039040492 /nfs/dbraw/zinc/04/04/92/1039040492.db2.gz XYTSISOKTDNPEA-CHWSQXEVSA-N 1 2 348.434 3.988 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@H](CC)CN1C(C)=O ZINC000432750122 1039040508 /nfs/dbraw/zinc/04/05/08/1039040508.db2.gz XYTSISOKTDNPEA-CHWSQXEVSA-N 1 2 348.434 3.988 20 0 EHADLO Cc1cccc(C[NH+](CCO[C@@H]2CC2(F)F)Cc2cccc(C)n2)n1 ZINC000660093256 1039067772 /nfs/dbraw/zinc/06/77/72/1039067772.db2.gz DRHQSACWGJACCG-GOSISDBHSA-N 1 2 347.409 3.520 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2ccc(F)cc2F)c(O)c(=O)c1 ZINC000663826062 1039073381 /nfs/dbraw/zinc/07/33/81/1039073381.db2.gz OIMBIEYLJAAENV-UHFFFAOYSA-N 1 2 333.378 3.786 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)c(O)c(=O)c1 ZINC000663826062 1039073395 /nfs/dbraw/zinc/07/33/95/1039073395.db2.gz OIMBIEYLJAAENV-UHFFFAOYSA-N 1 2 333.378 3.786 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc2c1CCC2 ZINC000552229594 1039094740 /nfs/dbraw/zinc/09/47/40/1039094740.db2.gz MYPTYKHFNPTZOJ-QAQDUYKDSA-N 1 2 335.451 3.723 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1F ZINC000552229362 1039095825 /nfs/dbraw/zinc/09/58/25/1039095825.db2.gz BMNWYUQLQBNZTN-WKILWMFISA-N 1 2 327.403 3.682 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1c(F)cccc1F ZINC000478006729 1039112716 /nfs/dbraw/zinc/11/27/16/1039112716.db2.gz VKPSGAJPIZZLAT-UHFFFAOYSA-N 1 2 327.334 3.845 20 0 EHADLO COc1ncccc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000488407216 1039140656 /nfs/dbraw/zinc/14/06/56/1039140656.db2.gz MICXMDVOROJABS-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ncccc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000488407216 1039140666 /nfs/dbraw/zinc/14/06/66/1039140666.db2.gz MICXMDVOROJABS-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1cccc2c1C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)CC2 ZINC000429581572 1039143077 /nfs/dbraw/zinc/14/30/77/1039143077.db2.gz ZXUIEPKOJXFMSD-UHFFFAOYSA-N 1 2 332.806 3.784 20 0 EHADLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)CC2 ZINC000429581572 1039143081 /nfs/dbraw/zinc/14/30/81/1039143081.db2.gz ZXUIEPKOJXFMSD-UHFFFAOYSA-N 1 2 332.806 3.784 20 0 EHADLO CO[C@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000614053630 1039171977 /nfs/dbraw/zinc/17/19/77/1039171977.db2.gz ACVMYAARZZWAST-YJBOKZPZSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512449934 1039193755 /nfs/dbraw/zinc/19/37/55/1039193755.db2.gz MRDLDMXFYCLTGK-UMVBOHGHSA-N 1 2 343.298 3.849 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000554308782 1039210010 /nfs/dbraw/zinc/21/00/10/1039210010.db2.gz DKNLEWXMVIVTNC-MRXNPFEDSA-N 1 2 348.393 3.995 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000554308782 1039210029 /nfs/dbraw/zinc/21/00/29/1039210029.db2.gz DKNLEWXMVIVTNC-MRXNPFEDSA-N 1 2 348.393 3.995 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)[C@H]1c1cccs1 ZINC000554310355 1039212526 /nfs/dbraw/zinc/21/25/26/1039212526.db2.gz JBWFBZGHHWDEMT-WBVHZDCISA-N 1 2 326.465 3.937 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)[C@H]1c1cccs1 ZINC000554310355 1039212541 /nfs/dbraw/zinc/21/25/41/1039212541.db2.gz JBWFBZGHHWDEMT-WBVHZDCISA-N 1 2 326.465 3.937 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)s1 ZINC000363961935 1039213081 /nfs/dbraw/zinc/21/30/81/1039213081.db2.gz KIUXVZYWZVTEJL-SFHVURJKSA-N 1 2 338.432 3.809 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc3ccc(F)cc3[nH]1)CC2 ZINC000488523426 1039244012 /nfs/dbraw/zinc/24/40/12/1039244012.db2.gz XKPKZLQVSCWIOI-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc3ccc(F)cc3[nH]1)CC2 ZINC000488523426 1039244021 /nfs/dbraw/zinc/24/40/21/1039244021.db2.gz XKPKZLQVSCWIOI-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cccc(F)c2Br)C1 ZINC000668514646 1039259568 /nfs/dbraw/zinc/25/95/68/1039259568.db2.gz MXNZOSSRBIEPTQ-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000552413580 1039264627 /nfs/dbraw/zinc/26/46/27/1039264627.db2.gz MJIVOBUYACIXOV-UHFFFAOYSA-N 1 2 333.863 3.928 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000552413580 1039264637 /nfs/dbraw/zinc/26/46/37/1039264637.db2.gz MJIVOBUYACIXOV-UHFFFAOYSA-N 1 2 333.863 3.928 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000363991019 1039295732 /nfs/dbraw/zinc/29/57/32/1039295732.db2.gz QHUXXFYCNBQHNI-FQEVSTJZSA-N 1 2 347.418 3.614 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000509752517 1039301039 /nfs/dbraw/zinc/30/10/39/1039301039.db2.gz SWZNECBSFXZUFC-AEFFLSMTSA-N 1 2 340.471 3.886 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nnc(C)o1 ZINC000668519744 1039301131 /nfs/dbraw/zinc/30/11/31/1039301131.db2.gz BGLDUNFXEWFSAK-YRNVUSSQSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nnc(C)o1 ZINC000668519744 1039301148 /nfs/dbraw/zinc/30/11/48/1039301148.db2.gz BGLDUNFXEWFSAK-YRNVUSSQSA-N 1 2 325.334 3.932 20 0 EHADLO CC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1C ZINC000488617770 1039310773 /nfs/dbraw/zinc/31/07/73/1039310773.db2.gz FETVTEVEECNTDC-IBGZPJMESA-N 1 2 349.434 3.768 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000552491127 1039316049 /nfs/dbraw/zinc/31/60/49/1039316049.db2.gz DXPKNKXVSCZJBK-HZPDHXFCSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000552491127 1039316066 /nfs/dbraw/zinc/31/60/66/1039316066.db2.gz DXPKNKXVSCZJBK-HZPDHXFCSA-N 1 2 325.456 3.514 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668865073 1039320048 /nfs/dbraw/zinc/32/00/48/1039320048.db2.gz QSFYYYPRUQDPRL-MSOLQXFVSA-N 1 2 325.456 3.969 20 0 EHADLO c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522729 1039339029 /nfs/dbraw/zinc/33/90/29/1039339029.db2.gz CFUCMJILICSVSQ-AWEZNQCLSA-N 1 2 343.500 3.786 20 0 EHADLO c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522729 1039339040 /nfs/dbraw/zinc/33/90/40/1039339040.db2.gz CFUCMJILICSVSQ-AWEZNQCLSA-N 1 2 343.500 3.786 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554465514 1039368579 /nfs/dbraw/zinc/36/85/79/1039368579.db2.gz UGGDJOMUCZASOK-JKSUJKDBSA-N 1 2 341.459 3.664 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000480305050 1039413488 /nfs/dbraw/zinc/41/34/88/1039413488.db2.gz DDXKTNYBLVRHNS-OLZOCXBDSA-N 1 2 328.382 3.634 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000480305050 1039413493 /nfs/dbraw/zinc/41/34/93/1039413493.db2.gz DDXKTNYBLVRHNS-OLZOCXBDSA-N 1 2 328.382 3.634 20 0 EHADLO OC[C@@H](C1CCC1)[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000645986816 1039413537 /nfs/dbraw/zinc/41/35/37/1039413537.db2.gz LYUKIGYQFVMKSG-KRWDZBQOSA-N 1 2 343.496 3.579 20 0 EHADLO OC[C@@H](C1CCC1)[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000645986816 1039413542 /nfs/dbraw/zinc/41/35/42/1039413542.db2.gz LYUKIGYQFVMKSG-KRWDZBQOSA-N 1 2 343.496 3.579 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@@H](c3ncccc3C)C(C)C)nn2)cc1 ZINC000906276813 1039432818 /nfs/dbraw/zinc/43/28/18/1039432818.db2.gz OUTIHICCCXDLKA-LJQANCHMSA-N 1 2 335.455 3.766 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000417140208 1039447158 /nfs/dbraw/zinc/44/71/58/1039447158.db2.gz DOMXDSIKHDJCFV-MRXNPFEDSA-N 1 2 342.418 3.546 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667662400 1039449957 /nfs/dbraw/zinc/44/99/57/1039449957.db2.gz IMYSTPJGNWXCEE-OXQOHEQNSA-N 1 2 325.456 3.564 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667662400 1039449959 /nfs/dbraw/zinc/44/99/59/1039449959.db2.gz IMYSTPJGNWXCEE-OXQOHEQNSA-N 1 2 325.456 3.564 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667662398 1039450003 /nfs/dbraw/zinc/45/00/03/1039450003.db2.gz IMYSTPJGNWXCEE-JXFKEZNVSA-N 1 2 325.456 3.564 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667662398 1039450009 /nfs/dbraw/zinc/45/00/09/1039450009.db2.gz IMYSTPJGNWXCEE-JXFKEZNVSA-N 1 2 325.456 3.564 20 0 EHADLO FC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906304516 1039459957 /nfs/dbraw/zinc/45/99/57/1039459957.db2.gz IFYTYUPTUBLOJD-UHFFFAOYSA-N 1 2 348.853 3.813 20 0 EHADLO C[C@H](CN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000554542662 1039460711 /nfs/dbraw/zinc/46/07/11/1039460711.db2.gz AWQQJGXWDLFRKW-MRXNPFEDSA-N 1 2 349.438 3.594 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582496 1039507516 /nfs/dbraw/zinc/50/75/16/1039507516.db2.gz DMLNUICIZHLZFI-JLTOFOAXSA-N 1 2 337.398 3.705 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582496 1039507533 /nfs/dbraw/zinc/50/75/33/1039507533.db2.gz DMLNUICIZHLZFI-JLTOFOAXSA-N 1 2 337.398 3.705 20 0 EHADLO CCSc1ccccc1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000930759115 1039516712 /nfs/dbraw/zinc/51/67/12/1039516712.db2.gz JEHFQOKKHOPLFR-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO Cc1ccccc1OCc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923926687 1039518502 /nfs/dbraw/zinc/51/85/02/1039518502.db2.gz CVMUOGWAEJHEEM-OAHLLOKOSA-N 1 2 326.400 3.789 20 0 EHADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1c(F)ccc(Br)c1F ZINC000906396088 1039521823 /nfs/dbraw/zinc/52/18/23/1039521823.db2.gz ULXXUDCMDWKEGO-LLVKDONJSA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1c(F)ccc(Br)c1F ZINC000906396088 1039521833 /nfs/dbraw/zinc/52/18/33/1039521833.db2.gz ULXXUDCMDWKEGO-LLVKDONJSA-N 1 2 347.203 3.539 20 0 EHADLO Brc1cnc([C@H]2CCC[N@@H+]2CCc2ccccc2)nc1 ZINC000932253361 1039552744 /nfs/dbraw/zinc/55/27/44/1039552744.db2.gz KKIVPPYGJFDJEN-OAHLLOKOSA-N 1 2 332.245 3.619 20 0 EHADLO Brc1cnc([C@H]2CCC[N@H+]2CCc2ccccc2)nc1 ZINC000932253361 1039552759 /nfs/dbraw/zinc/55/27/59/1039552759.db2.gz KKIVPPYGJFDJEN-OAHLLOKOSA-N 1 2 332.245 3.619 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911877455 1039563041 /nfs/dbraw/zinc/56/30/41/1039563041.db2.gz RWJARUAXSWXNHU-FUHWJXTLSA-N 1 2 340.471 3.550 20 0 EHADLO Fc1ccc(F)c2c1CC[N@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000667683019 1039629406 /nfs/dbraw/zinc/62/94/06/1039629406.db2.gz CJSIUAUJMNWJBU-MRXNPFEDSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1ccc(F)c2c1CC[N@@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000667683019 1039629410 /nfs/dbraw/zinc/62/94/10/1039629410.db2.gz CJSIUAUJMNWJBU-MRXNPFEDSA-N 1 2 345.389 3.691 20 0 EHADLO Cc1sc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)nc1-c1ccc(F)cc1 ZINC000552918899 1039635493 /nfs/dbraw/zinc/63/54/93/1039635493.db2.gz KIOQPXXKDYNHPU-LLVKDONJSA-N 1 2 333.432 3.536 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001142599428 1039664003 /nfs/dbraw/zinc/66/40/03/1039664003.db2.gz IGXDYLWNGLSCNK-UHFFFAOYSA-N 1 2 337.419 3.624 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001142599428 1039664009 /nfs/dbraw/zinc/66/40/09/1039664009.db2.gz IGXDYLWNGLSCNK-UHFFFAOYSA-N 1 2 337.419 3.624 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1 ZINC000554747197 1039682867 /nfs/dbraw/zinc/68/28/67/1039682867.db2.gz INGKNWFDOSCBNT-FQEVSTJZSA-N 1 2 326.440 3.541 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1 ZINC000554747197 1039682879 /nfs/dbraw/zinc/68/28/79/1039682879.db2.gz INGKNWFDOSCBNT-FQEVSTJZSA-N 1 2 326.440 3.541 20 0 EHADLO CC(C)(CNC(=O)Cc1csc2ccc(Cl)cc12)n1cc[nH+]c1 ZINC000898904610 1039690977 /nfs/dbraw/zinc/69/09/77/1039690977.db2.gz ITRSUNRDORFLQS-UHFFFAOYSA-N 1 2 347.871 3.845 20 0 EHADLO CC(C)(CNC(=O)CCc1ccc(F)c2ccccc12)n1cc[nH+]c1 ZINC000898911052 1039699794 /nfs/dbraw/zinc/69/97/94/1039699794.db2.gz HMBCFHTWHRKQQL-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1OCCc2ccccc21 ZINC000511622213 1039741617 /nfs/dbraw/zinc/74/16/17/1039741617.db2.gz CKKGCIQTIGCNLH-FQEVSTJZSA-N 1 2 333.435 3.823 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1OCCc2ccccc21 ZINC000511622213 1039741634 /nfs/dbraw/zinc/74/16/34/1039741634.db2.gz CKKGCIQTIGCNLH-FQEVSTJZSA-N 1 2 333.435 3.823 20 0 EHADLO CCOCc1nc(C)cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000893847310 1039750985 /nfs/dbraw/zinc/75/09/85/1039750985.db2.gz FTTLAXNZVYJARU-WKILWMFISA-N 1 2 341.459 3.552 20 0 EHADLO CO[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1 ZINC000906809084 1039753389 /nfs/dbraw/zinc/75/33/89/1039753389.db2.gz JMYJSZOIBSIDLU-MRXNPFEDSA-N 1 2 332.831 3.778 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000906803893 1039768324 /nfs/dbraw/zinc/76/83/24/1039768324.db2.gz VNDWVUPKFKZJPL-KBXCAEBGSA-N 1 2 342.414 3.748 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nsc2ccccc12)c1nnc2ccccn21 ZINC000660209813 1039784997 /nfs/dbraw/zinc/78/49/97/1039784997.db2.gz YNNJBRQKPKQDTK-KRWDZBQOSA-N 1 2 337.452 3.826 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCn3c(C4CCCC4)nnc3[C@@H]2C)c(C)c1 ZINC000584777064 1039792304 /nfs/dbraw/zinc/79/23/04/1039792304.db2.gz MIGOYEHXRAQWKF-INIZCTEOSA-N 1 2 339.487 3.567 20 0 EHADLO Cc1cnc(CC[N@H+]2CCn3c(C4CCCC4)nnc3[C@@H]2C)c(C)c1 ZINC000584777064 1039792320 /nfs/dbraw/zinc/79/23/20/1039792320.db2.gz MIGOYEHXRAQWKF-INIZCTEOSA-N 1 2 339.487 3.567 20 0 EHADLO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ncccc1O ZINC000554856646 1039841748 /nfs/dbraw/zinc/84/17/48/1039841748.db2.gz YGFGSRGMESYOAJ-KRWDZBQOSA-N 1 2 332.831 3.793 20 0 EHADLO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ncccc1O ZINC000554856646 1039841770 /nfs/dbraw/zinc/84/17/70/1039841770.db2.gz YGFGSRGMESYOAJ-KRWDZBQOSA-N 1 2 332.831 3.793 20 0 EHADLO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000893946408 1039871179 /nfs/dbraw/zinc/87/11/79/1039871179.db2.gz NZAXQTJFIHKEME-KRWDZBQOSA-N 1 2 339.395 3.588 20 0 EHADLO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000893946408 1039871200 /nfs/dbraw/zinc/87/12/00/1039871200.db2.gz NZAXQTJFIHKEME-KRWDZBQOSA-N 1 2 339.395 3.588 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000553239600 1039888659 /nfs/dbraw/zinc/88/86/59/1039888659.db2.gz SKLYHUOAQVRMGP-APWZRJJASA-N 1 2 337.467 3.666 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C2CC2)o1 ZINC000613735241 1039896053 /nfs/dbraw/zinc/89/60/53/1039896053.db2.gz HSWFVMOJPNNSOT-HXUWFJFHSA-N 1 2 338.451 3.746 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C2CC2)o1 ZINC000613735241 1039896077 /nfs/dbraw/zinc/89/60/77/1039896077.db2.gz HSWFVMOJPNNSOT-HXUWFJFHSA-N 1 2 338.451 3.746 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1-c1ccncc1 ZINC000553241126 1039908204 /nfs/dbraw/zinc/90/82/04/1039908204.db2.gz POVBSBWYYTYDEV-KRWDZBQOSA-N 1 2 332.407 3.839 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000554919595 1039929623 /nfs/dbraw/zinc/92/96/23/1039929623.db2.gz KLUXDRYLQHAAMQ-UHFFFAOYSA-N 1 2 342.443 3.701 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1nc(Br)cs1 ZINC000927089353 1039934242 /nfs/dbraw/zinc/93/42/42/1039934242.db2.gz AKEFGXDEDMXTOC-SECBINFHSA-N 1 2 339.258 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479092015 1039943319 /nfs/dbraw/zinc/94/33/19/1039943319.db2.gz CSPJVWMJQVEUES-HOCLYGCPSA-N 1 2 328.843 3.984 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479092015 1039943333 /nfs/dbraw/zinc/94/33/33/1039943333.db2.gz CSPJVWMJQVEUES-HOCLYGCPSA-N 1 2 328.843 3.984 20 0 EHADLO Cn1nc2c(c1C[N@H+](C)Cc1ccc(Cl)c(F)c1)CSCC2 ZINC000894075527 1040056363 /nfs/dbraw/zinc/05/63/63/1040056363.db2.gz DDQYIROAXZBZIN-UHFFFAOYSA-N 1 2 339.867 3.634 20 0 EHADLO Cn1nc2c(c1C[N@@H+](C)Cc1ccc(Cl)c(F)c1)CSCC2 ZINC000894075527 1040056381 /nfs/dbraw/zinc/05/63/81/1040056381.db2.gz DDQYIROAXZBZIN-UHFFFAOYSA-N 1 2 339.867 3.634 20 0 EHADLO COc1ccc2ccc(N[C@@H]3CCO[C@@H](c4ccncc4)C3)[nH+]c2c1 ZINC000894078670 1040059797 /nfs/dbraw/zinc/05/97/97/1040059797.db2.gz MWFHKQIDSRZIHD-VQIMIIECSA-N 1 2 335.407 3.971 20 0 EHADLO CCC1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000460182811 1040085607 /nfs/dbraw/zinc/08/56/07/1040085607.db2.gz CJQQHYYSAYQBRH-DLBZAZTESA-N 1 2 332.492 3.836 20 0 EHADLO Fc1c[nH+]ccc1NCc1cc(Br)ccc1OC(F)F ZINC000486363137 1040086534 /nfs/dbraw/zinc/08/65/34/1040086534.db2.gz BBNBZJAZFOYCEB-UHFFFAOYSA-N 1 2 347.134 3.619 20 0 EHADLO O=C(NCc1cc2ccccc2s1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000489617891 1040092910 /nfs/dbraw/zinc/09/29/10/1040092910.db2.gz DLTCHFWKLQKRNS-SFHVURJKSA-N 1 2 336.460 3.792 20 0 EHADLO O=C(NCc1cc2ccccc2s1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000489617891 1040092926 /nfs/dbraw/zinc/09/29/26/1040092926.db2.gz DLTCHFWKLQKRNS-SFHVURJKSA-N 1 2 336.460 3.792 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000278828805 1040113880 /nfs/dbraw/zinc/11/38/80/1040113880.db2.gz CYWIJIAITLBZLZ-YVNMAJEFSA-N 1 2 349.422 3.507 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000432918333 1040175884 /nfs/dbraw/zinc/17/58/84/1040175884.db2.gz OMCKLAOHBVXWFM-WHOFXGATSA-N 1 2 329.362 3.883 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCCSC1 ZINC000907814730 1040179678 /nfs/dbraw/zinc/17/96/78/1040179678.db2.gz HHLJSEDXGVVBOM-CABCVRRESA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCCSC1 ZINC000907814730 1040179686 /nfs/dbraw/zinc/17/96/86/1040179686.db2.gz HHLJSEDXGVVBOM-CABCVRRESA-N 1 2 347.528 3.574 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907815225 1040180096 /nfs/dbraw/zinc/18/00/96/1040180096.db2.gz JQMDUXOKJQVYAU-BMFZPTHFSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907815225 1040180115 /nfs/dbraw/zinc/18/01/15/1040180115.db2.gz JQMDUXOKJQVYAU-BMFZPTHFSA-N 1 2 329.488 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000907809318 1040198716 /nfs/dbraw/zinc/19/87/16/1040198716.db2.gz JSXFRUWLCBDZSX-YLFCFFPRSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000907809318 1040198725 /nfs/dbraw/zinc/19/87/25/1040198725.db2.gz JSXFRUWLCBDZSX-YLFCFFPRSA-N 1 2 341.499 3.867 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nn(C)cc2Br)c1 ZINC000432928668 1040200676 /nfs/dbraw/zinc/20/06/76/1040200676.db2.gz NTXPCGWKXKCKSE-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nn(C)cc2Br)c1 ZINC000432928668 1040200692 /nfs/dbraw/zinc/20/06/92/1040200692.db2.gz NTXPCGWKXKCKSE-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO C/C(=C(/F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000907840154 1040206991 /nfs/dbraw/zinc/20/69/91/1040206991.db2.gz DOWRYDOXJXXMIM-LGMDPLHJSA-N 1 2 331.435 3.579 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3nnc(C(C)(C)C)[nH]3)CC2)cc1 ZINC000432945425 1040249283 /nfs/dbraw/zinc/24/92/83/1040249283.db2.gz RDFFPBYBGMDSKD-UHFFFAOYSA-N 1 2 342.487 3.566 20 0 EHADLO COc1ccc(OC)c(-c2cc(C[NH+]3Cc4ccccc4C3)on2)c1 ZINC000899258398 1040249451 /nfs/dbraw/zinc/24/94/51/1040249451.db2.gz LVCRPYQQXCYWMP-UHFFFAOYSA-N 1 2 336.391 3.875 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(-c2ccccc2)no1 ZINC000339242160 1040252797 /nfs/dbraw/zinc/25/27/97/1040252797.db2.gz ZETBWGJIIQVXPM-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(-c2ccccc2)no1 ZINC000339242160 1040252814 /nfs/dbraw/zinc/25/28/14/1040252814.db2.gz ZETBWGJIIQVXPM-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000660292274 1040266585 /nfs/dbraw/zinc/26/65/85/1040266585.db2.gz NMGYIRZYFGIWPV-IAGOWNOFSA-N 1 2 340.471 3.652 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000908077247 1040287804 /nfs/dbraw/zinc/28/78/04/1040287804.db2.gz UMBUUKQCAYTDSV-IRXDYDNUSA-N 1 2 331.847 3.838 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cc4ccc(F)cc4[nH]3)CCCCC2)no1 ZINC000486684500 1040351402 /nfs/dbraw/zinc/35/14/02/1040351402.db2.gz NAWCPFZCWFPWGM-UHFFFAOYSA-N 1 2 328.391 3.948 20 0 EHADLO Brc1scnc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000660318207 1040358575 /nfs/dbraw/zinc/35/85/75/1040358575.db2.gz OOGFZUVVZOJKKV-UHFFFAOYSA-N 1 2 335.270 3.953 20 0 EHADLO Brc1scnc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000660318207 1040358589 /nfs/dbraw/zinc/35/85/89/1040358589.db2.gz OOGFZUVVZOJKKV-UHFFFAOYSA-N 1 2 335.270 3.953 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000663908730 1040379355 /nfs/dbraw/zinc/37/93/55/1040379355.db2.gz XIPDLNGGBBFJTO-DYXWJJEUSA-N 1 2 345.446 3.826 20 0 EHADLO Cn1nc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c2ccccc21 ZINC000668673664 1040395287 /nfs/dbraw/zinc/39/52/87/1040395287.db2.gz WBANTLRAVCEULW-IBGZPJMESA-N 1 2 337.423 3.520 20 0 EHADLO Cn1nc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c2ccccc21 ZINC000668673664 1040395298 /nfs/dbraw/zinc/39/52/98/1040395298.db2.gz WBANTLRAVCEULW-IBGZPJMESA-N 1 2 337.423 3.520 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000669041618 1040417751 /nfs/dbraw/zinc/41/77/51/1040417751.db2.gz NNRYHCGSHOTJIS-BRWVUGGUSA-N 1 2 341.455 3.823 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000479604304 1040422130 /nfs/dbraw/zinc/42/21/30/1040422130.db2.gz MRRPLEQTRLRQLZ-CPFNUKBASA-N 1 2 332.492 3.690 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]3c3cc(C)on3)on2)cc1 ZINC000912889219 1040426533 /nfs/dbraw/zinc/42/65/33/1040426533.db2.gz CLMFEARAEFWNBZ-IBGZPJMESA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccc(-c2cc(C[N@H+]3CCC[C@H]3c3cc(C)on3)on2)cc1 ZINC000912889219 1040426542 /nfs/dbraw/zinc/42/65/42/1040426542.db2.gz CLMFEARAEFWNBZ-IBGZPJMESA-N 1 2 339.395 3.984 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000908455372 1040475194 /nfs/dbraw/zinc/47/51/94/1040475194.db2.gz URTYZTRSHPHFJS-MRVPVSSYSA-N 1 2 347.724 3.779 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000908455372 1040475199 /nfs/dbraw/zinc/47/51/99/1040475199.db2.gz URTYZTRSHPHFJS-MRVPVSSYSA-N 1 2 347.724 3.779 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433026788 1040496480 /nfs/dbraw/zinc/49/64/80/1040496480.db2.gz HVZKTMLMZYXVPA-VOIUYBSRSA-N 1 2 343.492 3.563 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433026788 1040496486 /nfs/dbraw/zinc/49/64/86/1040496486.db2.gz HVZKTMLMZYXVPA-VOIUYBSRSA-N 1 2 343.492 3.563 20 0 EHADLO O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000553828816 1040510030 /nfs/dbraw/zinc/51/00/30/1040510030.db2.gz NMANILCITIFAGF-KOLCDFICSA-N 1 2 335.860 3.738 20 0 EHADLO CCCC[C@@H](CC)CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155203024 1040510337 /nfs/dbraw/zinc/51/03/37/1040510337.db2.gz ZGWOHUYQPVYGIW-MRXNPFEDSA-N 1 2 333.476 3.772 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ccc(F)c(F)c2)n1 ZINC000152179638 1040510655 /nfs/dbraw/zinc/51/06/55/1040510655.db2.gz GZTSLUMBCBARGP-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ccc(F)c(F)c2)n1 ZINC000152179638 1040510674 /nfs/dbraw/zinc/51/06/74/1040510674.db2.gz GZTSLUMBCBARGP-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1csc(Br)c1 ZINC000667536232 1040519871 /nfs/dbraw/zinc/51/98/71/1040519871.db2.gz SGTWNNJJTXWHTD-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1csc(Br)c1 ZINC000667536232 1040519878 /nfs/dbraw/zinc/51/98/78/1040519878.db2.gz SGTWNNJJTXWHTD-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cn1 ZINC000364230918 1040525348 /nfs/dbraw/zinc/52/53/48/1040525348.db2.gz UYDGRQCRWNILPK-QGZVFWFLSA-N 1 2 341.846 3.801 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cn1 ZINC000364230918 1040525369 /nfs/dbraw/zinc/52/53/69/1040525369.db2.gz UYDGRQCRWNILPK-QGZVFWFLSA-N 1 2 341.846 3.801 20 0 EHADLO Cc1ccc(F)c2c1CCCN2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553866121 1040544841 /nfs/dbraw/zinc/54/48/41/1040544841.db2.gz JDXUVIDQCQORTM-UHFFFAOYSA-N 1 2 349.409 3.972 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)Nc1c(F)cccc1F ZINC000433061035 1040581921 /nfs/dbraw/zinc/58/19/21/1040581921.db2.gz NUPSPUFHHMZFSV-HNNXBMFYSA-N 1 2 330.378 3.783 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)Nc1c(F)cccc1F ZINC000433061035 1040581938 /nfs/dbraw/zinc/58/19/38/1040581938.db2.gz NUPSPUFHHMZFSV-HNNXBMFYSA-N 1 2 330.378 3.783 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CCOC3(CCOCC3)CC2)cs1 ZINC000364261710 1040611267 /nfs/dbraw/zinc/61/12/67/1040611267.db2.gz MWVZKJOFZHHRLR-UHFFFAOYSA-N 1 2 338.517 3.503 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CCOC3(CCOCC3)CC2)cs1 ZINC000364261710 1040611276 /nfs/dbraw/zinc/61/12/76/1040611276.db2.gz MWVZKJOFZHHRLR-UHFFFAOYSA-N 1 2 338.517 3.503 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433065052 1040617157 /nfs/dbraw/zinc/61/71/57/1040617157.db2.gz ZOOLRUYPWZYVBQ-GOSISDBHSA-N 1 2 336.435 3.707 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433065052 1040617164 /nfs/dbraw/zinc/61/71/64/1040617164.db2.gz ZOOLRUYPWZYVBQ-GOSISDBHSA-N 1 2 336.435 3.707 20 0 EHADLO Nc1[nH+]cccc1COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000663961512 1040630532 /nfs/dbraw/zinc/63/05/32/1040630532.db2.gz FJVWIBDRFHKPAY-UHFFFAOYSA-N 1 2 338.407 3.911 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553991543 1040650564 /nfs/dbraw/zinc/65/05/64/1040650564.db2.gz BQSVTGNACFJBEM-CXAGYDPISA-N 1 2 346.471 3.975 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553991543 1040650572 /nfs/dbraw/zinc/65/05/72/1040650572.db2.gz BQSVTGNACFJBEM-CXAGYDPISA-N 1 2 346.471 3.975 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000600110181 1040661130 /nfs/dbraw/zinc/66/11/30/1040661130.db2.gz XPLOZZIDLOHTRA-GFCCVEGCSA-N 1 2 334.366 3.730 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000600110181 1040661140 /nfs/dbraw/zinc/66/11/40/1040661140.db2.gz XPLOZZIDLOHTRA-GFCCVEGCSA-N 1 2 334.366 3.730 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433076894 1040662007 /nfs/dbraw/zinc/66/20/07/1040662007.db2.gz PRDPVBKBEKQENE-MRXNPFEDSA-N 1 2 328.412 3.539 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433076894 1040662011 /nfs/dbraw/zinc/66/20/11/1040662011.db2.gz PRDPVBKBEKQENE-MRXNPFEDSA-N 1 2 328.412 3.539 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000487036120 1040666757 /nfs/dbraw/zinc/66/67/57/1040666757.db2.gz OVEOGKGYCQINBK-UHFFFAOYSA-N 1 2 347.846 3.756 20 0 EHADLO CC(C)(CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCC1 ZINC000908941898 1040716376 /nfs/dbraw/zinc/71/63/76/1040716376.db2.gz BFLHSCCKGAKRLK-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000899558634 1040743832 /nfs/dbraw/zinc/74/38/32/1040743832.db2.gz SPXRCAZMMLRXLG-UHFFFAOYSA-N 1 2 344.503 3.548 20 0 EHADLO Nc1ccc(CCC(=O)OCc2cc3ccccc3nc2Cl)c[nH+]1 ZINC000759809668 1040807616 /nfs/dbraw/zinc/80/76/16/1040807616.db2.gz ISYNCPMTEZBMNB-UHFFFAOYSA-N 1 2 341.798 3.541 20 0 EHADLO Cc1nc(N[C@H]2COCc3ccccc32)c(Br)c(C)[nH+]1 ZINC000664020589 1040818782 /nfs/dbraw/zinc/81/87/82/1040818782.db2.gz FQMZYWXQHRRQHR-ZDUSSCGKSA-N 1 2 334.217 3.539 20 0 EHADLO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000668767498 1040848400 /nfs/dbraw/zinc/84/84/00/1040848400.db2.gz HGNUBAVZCWPVJM-JSGCOSHPSA-N 1 2 347.377 3.554 20 0 EHADLO COc1cc(C)c(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000668767498 1040848417 /nfs/dbraw/zinc/84/84/17/1040848417.db2.gz HGNUBAVZCWPVJM-JSGCOSHPSA-N 1 2 347.377 3.554 20 0 EHADLO Cc1cc(CNc2nc(C3CC3)ncc2Br)cc(C)[nH+]1 ZINC000664026655 1040851422 /nfs/dbraw/zinc/85/14/22/1040851422.db2.gz UPCYQTUVUQNEMY-UHFFFAOYSA-N 1 2 333.233 3.740 20 0 EHADLO Cn1ncc(Br)c1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000487268908 1040862736 /nfs/dbraw/zinc/86/27/36/1040862736.db2.gz MTVAWXBHIXANEX-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+]([C@@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000668769918 1040862783 /nfs/dbraw/zinc/86/27/83/1040862783.db2.gz KICJMRALOHBPCW-DYESRHJHSA-N 1 2 338.499 3.902 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+]([C@@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000668769918 1040862801 /nfs/dbraw/zinc/86/28/01/1040862801.db2.gz KICJMRALOHBPCW-DYESRHJHSA-N 1 2 338.499 3.902 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)s1 ZINC000433152776 1040918289 /nfs/dbraw/zinc/91/82/89/1040918289.db2.gz SRKSYMYNRCVDKT-UHFFFAOYSA-N 1 2 349.887 3.923 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000481506544 1040983736 /nfs/dbraw/zinc/98/37/36/1040983736.db2.gz JARPHPRNAORBNM-MAUKXSAKSA-N 1 2 335.517 3.996 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508873 1040985911 /nfs/dbraw/zinc/98/59/11/1040985911.db2.gz QAUVWBAYMGUOBF-MLGOLLRUSA-N 1 2 332.831 3.662 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508873 1040985891 /nfs/dbraw/zinc/98/58/91/1040985891.db2.gz QAUVWBAYMGUOBF-MLGOLLRUSA-N 1 2 332.831 3.662 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccc(F)cc3)C3CC3)[nH+]c12 ZINC000586748799 1040993978 /nfs/dbraw/zinc/99/39/78/1040993978.db2.gz GXLUOIZAQPPHGR-UHFFFAOYSA-N 1 2 337.398 3.516 20 0 EHADLO CCc1cc(C)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000487622410 1040997605 /nfs/dbraw/zinc/99/76/05/1040997605.db2.gz QVUMNCBZASAYJD-OAHLLOKOSA-N 1 2 342.439 3.796 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000586753432 1040998810 /nfs/dbraw/zinc/99/88/10/1040998810.db2.gz CWZBTNRSOXJPNT-LJQANCHMSA-N 1 2 333.435 3.857 20 0 EHADLO CC[C@H]1C[C@]1([NH2+]Cc1nn(C)cc1Br)c1cccc(C)c1 ZINC000433189780 1041028255 /nfs/dbraw/zinc/02/82/55/1041028255.db2.gz DMYFERPKAGLICS-SUMWQHHRSA-N 1 2 348.288 3.906 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000487696365 1041054628 /nfs/dbraw/zinc/05/46/28/1041054628.db2.gz YQGYPOLEHKMZRR-MOPGFXCFSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000364381258 1041066423 /nfs/dbraw/zinc/06/64/23/1041066423.db2.gz OHJSJIPVISDBLE-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000364381258 1041066440 /nfs/dbraw/zinc/06/64/40/1041066440.db2.gz OHJSJIPVISDBLE-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000555793336 1041154203 /nfs/dbraw/zinc/15/42/03/1041154203.db2.gz VMPMCWYEPJKMBB-INIZCTEOSA-N 1 2 338.879 3.642 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000555793336 1041154212 /nfs/dbraw/zinc/15/42/12/1041154212.db2.gz VMPMCWYEPJKMBB-INIZCTEOSA-N 1 2 338.879 3.642 20 0 EHADLO CC(C)C1(C)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000487891814 1041160555 /nfs/dbraw/zinc/16/05/55/1041160555.db2.gz SSMQNHWHUWSPTK-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000487961579 1041211390 /nfs/dbraw/zinc/21/13/90/1041211390.db2.gz HMIOIRGHXHBUAL-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)C3CC3)cs2)c1 ZINC000430039903 1041228891 /nfs/dbraw/zinc/22/88/91/1041228891.db2.gz NNNHYIGMKHRHDM-UHFFFAOYSA-N 1 2 329.469 3.535 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)C3CC3)cs2)c1 ZINC000430039903 1041228912 /nfs/dbraw/zinc/22/89/12/1041228912.db2.gz NNNHYIGMKHRHDM-UHFFFAOYSA-N 1 2 329.469 3.535 20 0 EHADLO CO[C@@H]1C[NH+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C[C@H]1OC ZINC000487982782 1041235118 /nfs/dbraw/zinc/23/51/18/1041235118.db2.gz SJJRTMNYMRZORW-QZTJIDSGSA-N 1 2 346.496 3.779 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2cncc(Br)c2)cs1 ZINC000571225794 1041238354 /nfs/dbraw/zinc/23/83/54/1041238354.db2.gz BITFECVNGIOOJI-VIFPVBQESA-N 1 2 326.263 3.714 20 0 EHADLO C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000555870533 1041258385 /nfs/dbraw/zinc/25/83/85/1041258385.db2.gz AYTJJOANZLAMIH-LSDHHAIUSA-N 1 2 336.439 3.864 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(Cl)c(F)c1 ZINC000433307853 1041264988 /nfs/dbraw/zinc/26/49/88/1041264988.db2.gz WCIZJYQMIDPJQH-UHFFFAOYSA-N 1 2 343.789 3.905 20 0 EHADLO CO[C@H](C[NH2+][C@](C)(c1noc(C)n1)C1CC1)c1ccc(Cl)cc1 ZINC000433321444 1041278229 /nfs/dbraw/zinc/27/82/29/1041278229.db2.gz NWOSGJSDTQZXAB-WBVHZDCISA-N 1 2 335.835 3.634 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cccc(OC)c1Cl ZINC000660428838 1041280073 /nfs/dbraw/zinc/28/00/73/1041280073.db2.gz HFVONRFYVFCBCN-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cccc(OC)c1Cl ZINC000660428838 1041280091 /nfs/dbraw/zinc/28/00/91/1041280091.db2.gz HFVONRFYVFCBCN-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252054505 1041284281 /nfs/dbraw/zinc/28/42/81/1041284281.db2.gz CNXFLQUNBDXNGB-CJNGLKHVSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252054505 1041284293 /nfs/dbraw/zinc/28/42/93/1041284293.db2.gz CNXFLQUNBDXNGB-CJNGLKHVSA-N 1 2 325.441 3.622 20 0 EHADLO CCC[N@H+](Cc1cc(OC)ns1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660430567 1041300676 /nfs/dbraw/zinc/30/06/76/1041300676.db2.gz DLOPIOVAPICRKM-AWEZNQCLSA-N 1 2 347.484 3.699 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)ns1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660430567 1041300690 /nfs/dbraw/zinc/30/06/90/1041300690.db2.gz DLOPIOVAPICRKM-AWEZNQCLSA-N 1 2 347.484 3.699 20 0 EHADLO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)c1=O ZINC000931321198 1041361232 /nfs/dbraw/zinc/36/12/32/1041361232.db2.gz AISFQPYEXHNGTM-UHFFFAOYSA-N 1 2 341.238 3.631 20 0 EHADLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)c1=O ZINC000931321198 1041361241 /nfs/dbraw/zinc/36/12/41/1041361241.db2.gz AISFQPYEXHNGTM-UHFFFAOYSA-N 1 2 341.238 3.631 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(C2CC2)cc1 ZINC000419331664 1041384377 /nfs/dbraw/zinc/38/43/77/1041384377.db2.gz CZIGLPBWMXDJQS-SNVBAGLBSA-N 1 2 325.334 3.903 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000195385543 1041430843 /nfs/dbraw/zinc/43/08/43/1041430843.db2.gz REDPPCFYRJJAEI-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021193 1041478206 /nfs/dbraw/zinc/47/82/06/1041478206.db2.gz UPEPGSFEJINXSF-KSSFIOAISA-N 1 2 336.426 3.893 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021193 1041478207 /nfs/dbraw/zinc/47/82/07/1041478207.db2.gz UPEPGSFEJINXSF-KSSFIOAISA-N 1 2 336.426 3.893 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000195732374 1041491550 /nfs/dbraw/zinc/49/15/50/1041491550.db2.gz JZSICQNKUUENMT-QWHCGFSZSA-N 1 2 336.382 3.770 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000195732374 1041491561 /nfs/dbraw/zinc/49/15/61/1041491561.db2.gz JZSICQNKUUENMT-QWHCGFSZSA-N 1 2 336.382 3.770 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000182255785 1041499908 /nfs/dbraw/zinc/49/99/08/1041499908.db2.gz RWFSCKJJNZTZFW-UHFFFAOYSA-N 1 2 337.529 3.556 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000182255785 1041499910 /nfs/dbraw/zinc/49/99/10/1041499910.db2.gz RWFSCKJJNZTZFW-UHFFFAOYSA-N 1 2 337.529 3.556 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000092937400 1041584976 /nfs/dbraw/zinc/58/49/76/1041584976.db2.gz LUCFHYYYAAKWMI-ZDUSSCGKSA-N 1 2 347.789 3.669 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000092937400 1041584981 /nfs/dbraw/zinc/58/49/81/1041584981.db2.gz LUCFHYYYAAKWMI-ZDUSSCGKSA-N 1 2 347.789 3.669 20 0 EHADLO COc1cccc2c(NCc3cccc(N4CCOCC4)c3)cc[nH+]c12 ZINC000432156963 1041665357 /nfs/dbraw/zinc/66/53/57/1041665357.db2.gz KBIZUPQBRKDHLE-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561699 1041673146 /nfs/dbraw/zinc/67/31/46/1041673146.db2.gz VKGWAIULZRZVQQ-DZGCQCFKSA-N 1 2 345.361 3.526 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561699 1041673148 /nfs/dbraw/zinc/67/31/48/1041673148.db2.gz VKGWAIULZRZVQQ-DZGCQCFKSA-N 1 2 345.361 3.526 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000660584378 1041705632 /nfs/dbraw/zinc/70/56/32/1041705632.db2.gz NODOASUOGKNWGD-JKSUJKDBSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000660584378 1041705642 /nfs/dbraw/zinc/70/56/42/1041705642.db2.gz NODOASUOGKNWGD-JKSUJKDBSA-N 1 2 341.373 3.961 20 0 EHADLO C[N@H+](C[C@@H]1CCc2ccccc2C1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766052 1041813357 /nfs/dbraw/zinc/81/33/57/1041813357.db2.gz ZWYQSKYLZZUNPF-OXQOHEQNSA-N 1 2 332.451 3.631 20 0 EHADLO C[N@@H+](C[C@@H]1CCc2ccccc2C1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766052 1041813361 /nfs/dbraw/zinc/81/33/61/1041813361.db2.gz ZWYQSKYLZZUNPF-OXQOHEQNSA-N 1 2 332.451 3.631 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000893405125 1041819452 /nfs/dbraw/zinc/81/94/52/1041819452.db2.gz BFWJNEBITFXIAV-CQSZACIVSA-N 1 2 335.400 3.677 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1nc2ccccc2s1 ZINC000278841375 1041834169 /nfs/dbraw/zinc/83/41/69/1041834169.db2.gz QVWVQZWYBAKGME-SNVBAGLBSA-N 1 2 343.374 3.509 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1nc2ccccc2s1 ZINC000278841375 1041834174 /nfs/dbraw/zinc/83/41/74/1041834174.db2.gz QVWVQZWYBAKGME-SNVBAGLBSA-N 1 2 343.374 3.509 20 0 EHADLO CC/C(=C\C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000728812632 1041878458 /nfs/dbraw/zinc/87/84/58/1041878458.db2.gz IMRWUKHCNIHJQH-WUKNDPDISA-N 1 2 335.451 3.660 20 0 EHADLO COC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000531250646 1041968961 /nfs/dbraw/zinc/96/89/61/1041968961.db2.gz DIFXLUQXRPPRCM-GOSISDBHSA-N 1 2 325.387 3.693 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1 ZINC000661167993 1041983535 /nfs/dbraw/zinc/98/35/35/1041983535.db2.gz QZBCLOQHDLLEEM-IFXJQAMLSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1 ZINC000661167993 1041983540 /nfs/dbraw/zinc/98/35/40/1041983540.db2.gz QZBCLOQHDLLEEM-IFXJQAMLSA-N 1 2 327.428 3.607 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1CCC2)c1nc(Cc2ccccc2)no1 ZINC000651784878 1042027735 /nfs/dbraw/zinc/02/77/35/1042027735.db2.gz GYEWYGZMEWRAKO-HNNXBMFYSA-N 1 2 333.435 4.000 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cn1 ZINC000164344758 1042047889 /nfs/dbraw/zinc/04/78/89/1042047889.db2.gz MOMPGEWTXAYZGK-KRWDZBQOSA-N 1 2 337.471 3.583 20 0 EHADLO Cc1cc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cc(C)[nH+]1 ZINC000661333748 1042065882 /nfs/dbraw/zinc/06/58/82/1042065882.db2.gz OWFVGNWTIZYTRW-GOSISDBHSA-N 1 2 336.439 3.530 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](Cc1nc(-c3ccccn3)no1)CC2 ZINC000661373874 1042089797 /nfs/dbraw/zinc/08/97/97/1042089797.db2.gz NBXIABIWRPBQIR-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](Cc1nc(-c3ccccn3)no1)CC2 ZINC000661373874 1042089806 /nfs/dbraw/zinc/08/98/06/1042089806.db2.gz NBXIABIWRPBQIR-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO CCCc1nc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)no1 ZINC000661430097 1042118542 /nfs/dbraw/zinc/11/85/42/1042118542.db2.gz OFBYSPCYIKMKAF-SFHVURJKSA-N 1 2 349.862 3.557 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435391 1042121238 /nfs/dbraw/zinc/12/12/38/1042121238.db2.gz GDBSJSUAYLMHAV-KRWDZBQOSA-N 1 2 339.501 3.802 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435391 1042121240 /nfs/dbraw/zinc/12/12/40/1042121240.db2.gz GDBSJSUAYLMHAV-KRWDZBQOSA-N 1 2 339.501 3.802 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661438922 1042126172 /nfs/dbraw/zinc/12/61/72/1042126172.db2.gz WICQURCRDUGHLW-FQEVSTJZSA-N 1 2 338.451 3.855 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661438922 1042126176 /nfs/dbraw/zinc/12/61/76/1042126176.db2.gz WICQURCRDUGHLW-FQEVSTJZSA-N 1 2 338.451 3.855 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000651882401 1042137306 /nfs/dbraw/zinc/13/73/06/1042137306.db2.gz NNIHIGFEKBZAKB-ROUUACIJSA-N 1 2 337.467 3.605 20 0 EHADLO COC[C@@H]([NH2+]Cc1nsc2ccccc12)c1cccc(OC)c1 ZINC000661469265 1042139957 /nfs/dbraw/zinc/13/99/57/1042139957.db2.gz HRIWOFRDDSMUQI-QGZVFWFLSA-N 1 2 328.437 3.782 20 0 EHADLO FC(F)(F)c1ccnc([C@@H]2CCC[N@@H+]2CCCc2ccncc2)n1 ZINC000661537155 1042177639 /nfs/dbraw/zinc/17/76/39/1042177639.db2.gz URCDOBNEQGOUNX-AWEZNQCLSA-N 1 2 336.361 3.660 20 0 EHADLO FC(F)(F)c1ccnc([C@@H]2CCC[N@H+]2CCCc2ccncc2)n1 ZINC000661537155 1042177645 /nfs/dbraw/zinc/17/76/45/1042177645.db2.gz URCDOBNEQGOUNX-AWEZNQCLSA-N 1 2 336.361 3.660 20 0 EHADLO Fc1ccc(-c2csc3ncnc(NCCn4cc[nH+]c4)c23)cc1 ZINC000025673618 1042226651 /nfs/dbraw/zinc/22/66/51/1042226651.db2.gz CLPQEGNYECCHMQ-UHFFFAOYSA-N 1 2 339.399 3.806 20 0 EHADLO Fc1ccccc1C1(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CCC1 ZINC000652220945 1042278633 /nfs/dbraw/zinc/27/86/33/1042278633.db2.gz NDAOPGWBKOUDMP-INIZCTEOSA-N 1 2 342.443 3.806 20 0 EHADLO CC(C)Cc1ncc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000162812062 1042333468 /nfs/dbraw/zinc/33/34/68/1042333468.db2.gz HRUJVDNFSSYLQG-AWEZNQCLSA-N 1 2 341.484 3.773 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2ncc(Br)cc2F)c1 ZINC000652331023 1042378971 /nfs/dbraw/zinc/37/89/71/1042378971.db2.gz VWZQGODCAQSQIO-SECBINFHSA-N 1 2 340.196 3.698 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000661988309 1042446451 /nfs/dbraw/zinc/44/64/51/1042446451.db2.gz DEIPKXWQJNXLNX-SFHVURJKSA-N 1 2 332.492 3.520 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)no1 ZINC000662022930 1042464580 /nfs/dbraw/zinc/46/45/80/1042464580.db2.gz XHPWMUJISKPEGB-SFHVURJKSA-N 1 2 348.450 3.756 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)no1 ZINC000662022930 1042464582 /nfs/dbraw/zinc/46/45/82/1042464582.db2.gz XHPWMUJISKPEGB-SFHVURJKSA-N 1 2 348.450 3.756 20 0 EHADLO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000599296170 1042531509 /nfs/dbraw/zinc/53/15/09/1042531509.db2.gz SYPOAFSKDIRHOO-HNNXBMFYSA-N 1 2 345.468 3.550 20 0 EHADLO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000599296170 1042531513 /nfs/dbraw/zinc/53/15/13/1042531513.db2.gz SYPOAFSKDIRHOO-HNNXBMFYSA-N 1 2 345.468 3.550 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nccs1 ZINC000184421637 1042537547 /nfs/dbraw/zinc/53/75/47/1042537547.db2.gz WVILKGMODRPWBB-STQMWFEESA-N 1 2 347.509 3.711 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1nccs1 ZINC000184425402 1042541467 /nfs/dbraw/zinc/54/14/67/1042541467.db2.gz YHCPQAUFTSGKBF-FZMZJTMJSA-N 1 2 337.514 3.759 20 0 EHADLO CCCn1nccc1CNc1[nH+]c2ccccc2n1CCCOCC ZINC000663257043 1042603244 /nfs/dbraw/zinc/60/32/44/1042603244.db2.gz SJQPPZYRNRAPSY-UHFFFAOYSA-N 1 2 341.459 3.682 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000602066019 1042662697 /nfs/dbraw/zinc/66/26/97/1042662697.db2.gz NBLXHNOPGQNHKZ-SFHVURJKSA-N 1 2 342.508 3.661 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)c1ccccc1 ZINC000602125280 1042666356 /nfs/dbraw/zinc/66/63/56/1042666356.db2.gz RLTLAMMZACOFGO-CQSZACIVSA-N 1 2 333.391 3.924 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccc(O)c3)o2)c(C)o1 ZINC000161763247 1042683947 /nfs/dbraw/zinc/68/39/47/1042683947.db2.gz ZWCSZFPSVNISTE-GFCCVEGCSA-N 1 2 327.384 3.845 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](C)[C@H](C)c3cccc(O)c3)o2)c(C)o1 ZINC000161763247 1042683948 /nfs/dbraw/zinc/68/39/48/1042683948.db2.gz ZWCSZFPSVNISTE-GFCCVEGCSA-N 1 2 327.384 3.845 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OCCC(C)C ZINC000161857262 1042686341 /nfs/dbraw/zinc/68/63/41/1042686341.db2.gz NDENAJPSSCQWFX-INIZCTEOSA-N 1 2 341.455 3.818 20 0 EHADLO Cn1cc(C[NH+](Cc2ccco2)Cc2ccco2)c(-c2ccncc2)n1 ZINC000162573360 1042735706 /nfs/dbraw/zinc/73/57/06/1042735706.db2.gz FHKZWOQJJLVAHU-UHFFFAOYSA-N 1 2 348.406 3.871 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2sccc2Br)c1 ZINC000278866956 1042763479 /nfs/dbraw/zinc/76/34/79/1042763479.db2.gz WSHNTGXFKOWZDT-QMMMGPOBSA-N 1 2 344.230 3.741 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCCCC3)n2)C1 ZINC000043547671 1042854643 /nfs/dbraw/zinc/85/46/43/1042854643.db2.gz MHCIEEUPHGOBSE-AWEZNQCLSA-N 1 2 336.505 3.783 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCCCC3)n2)C1 ZINC000043547671 1042854645 /nfs/dbraw/zinc/85/46/45/1042854645.db2.gz MHCIEEUPHGOBSE-AWEZNQCLSA-N 1 2 336.505 3.783 20 0 EHADLO CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547181 1042855114 /nfs/dbraw/zinc/85/51/14/1042855114.db2.gz UMSMHUHRHPMXGD-CQSZACIVSA-N 1 2 336.505 3.639 20 0 EHADLO CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547181 1042855122 /nfs/dbraw/zinc/85/51/22/1042855122.db2.gz UMSMHUHRHPMXGD-CQSZACIVSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066964024 1042888303 /nfs/dbraw/zinc/88/83/03/1042888303.db2.gz GLQSGBQWLJGCQI-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000343940777 1042889867 /nfs/dbraw/zinc/88/98/67/1042889867.db2.gz NXIYUVOSBUXURO-QGZVFWFLSA-N 1 2 328.460 3.674 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000343940777 1042889871 /nfs/dbraw/zinc/88/98/71/1042889871.db2.gz NXIYUVOSBUXURO-QGZVFWFLSA-N 1 2 328.460 3.674 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)ccc1C ZINC000278912606 1042924715 /nfs/dbraw/zinc/92/47/15/1042924715.db2.gz SSWDKEUXZMUPBT-LJQANCHMSA-N 1 2 339.414 3.755 20 0 EHADLO Fc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1F ZINC000278916332 1042936763 /nfs/dbraw/zinc/93/67/63/1042936763.db2.gz QYMYJJOQTIVBIR-UHFFFAOYSA-N 1 2 331.410 3.877 20 0 EHADLO Fc1ccc2nc(C(F)F)nc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000663540869 1042984209 /nfs/dbraw/zinc/98/42/09/1042984209.db2.gz SFGWDUHTUKLLMC-GFCCVEGCSA-N 1 2 347.344 3.745 20 0 EHADLO Cc1nc(N[C@@H](C)c2cnn(C(C)C)c2)c(Br)c(C)[nH+]1 ZINC000663597847 1043032850 /nfs/dbraw/zinc/03/28/50/1043032850.db2.gz JTRSTBKYHHPPAK-VIFPVBQESA-N 1 2 338.253 3.806 20 0 EHADLO C[C@@H](CC(=O)NCCCNc1cccc[nH+]1)c1c[nH]c2ccccc21 ZINC000279010117 1043184188 /nfs/dbraw/zinc/18/41/88/1043184188.db2.gz LNDNAIKRXOCZQN-HNNXBMFYSA-N 1 2 336.439 3.675 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000344113453 1043269843 /nfs/dbraw/zinc/26/98/43/1043269843.db2.gz BQNBZMDWVTUPFA-HXUWFJFHSA-N 1 2 338.451 3.825 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000344113453 1043269851 /nfs/dbraw/zinc/26/98/51/1043269851.db2.gz BQNBZMDWVTUPFA-HXUWFJFHSA-N 1 2 338.451 3.825 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)Cc1ccccc1N(C)C ZINC000344116761 1043280463 /nfs/dbraw/zinc/28/04/63/1043280463.db2.gz PHJNNRRMLIHGDC-UHFFFAOYSA-N 1 2 340.467 3.986 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1ccccc1N(C)C ZINC000344116761 1043280471 /nfs/dbraw/zinc/28/04/71/1043280471.db2.gz PHJNNRRMLIHGDC-UHFFFAOYSA-N 1 2 340.467 3.986 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)c(Br)c1 ZINC000344121503 1043292512 /nfs/dbraw/zinc/29/25/12/1043292512.db2.gz HYKDIZFDYKIJPR-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344201918 1043416544 /nfs/dbraw/zinc/41/65/44/1043416544.db2.gz ABOKWIWVTJUWHB-IBGZPJMESA-N 1 2 347.418 3.688 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCCc3occc3C2)CCN1c1ccc(F)c(Cl)c1 ZINC000344232198 1043490506 /nfs/dbraw/zinc/49/05/06/1043490506.db2.gz GJEJUKYCJBJCLN-INIZCTEOSA-N 1 2 348.805 3.626 20 0 EHADLO O=C1[C@@H]([N@H+]2CCCc3occc3C2)CCN1c1ccc(F)c(Cl)c1 ZINC000344232198 1043490514 /nfs/dbraw/zinc/49/05/14/1043490514.db2.gz GJEJUKYCJBJCLN-INIZCTEOSA-N 1 2 348.805 3.626 20 0 EHADLO O=C(Nc1ccc(-c2cncnc2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344279134 1043581905 /nfs/dbraw/zinc/58/19/05/1043581905.db2.gz VEJVCTNCXXQZTK-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000344285274 1043593408 /nfs/dbraw/zinc/59/34/08/1043593408.db2.gz YJGGOPWEISSWGY-QGZVFWFLSA-N 1 2 348.443 3.598 20 0 EHADLO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000344285274 1043593415 /nfs/dbraw/zinc/59/34/15/1043593415.db2.gz YJGGOPWEISSWGY-QGZVFWFLSA-N 1 2 348.443 3.598 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000279243371 1043632296 /nfs/dbraw/zinc/63/22/96/1043632296.db2.gz QRBCCINAVGUCKT-KBXCAEBGSA-N 1 2 341.455 3.995 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000007696559 1043839806 /nfs/dbraw/zinc/83/98/06/1043839806.db2.gz FCOWLGPZOIDFFY-MRXNPFEDSA-N 1 2 340.467 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000007696559 1043839829 /nfs/dbraw/zinc/83/98/29/1043839829.db2.gz FCOWLGPZOIDFFY-MRXNPFEDSA-N 1 2 340.467 3.776 20 0 EHADLO CC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744397 1043911696 /nfs/dbraw/zinc/91/16/96/1043911696.db2.gz DVDJVCLXDNQAHO-AEFFLSMTSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744397 1043911701 /nfs/dbraw/zinc/91/17/01/1043911701.db2.gz DVDJVCLXDNQAHO-AEFFLSMTSA-N 1 2 347.821 3.934 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CCCO2 ZINC000163164829 1043912940 /nfs/dbraw/zinc/91/29/40/1043912940.db2.gz BRQPOZARXNHVQM-FQEVSTJZSA-N 1 2 349.434 3.884 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000351607779 1043998116 /nfs/dbraw/zinc/99/81/16/1043998116.db2.gz XSMKMJPQNQGAPO-CQSZACIVSA-N 1 2 340.196 3.521 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc[nH+]1 ZINC000010163181 1044173878 /nfs/dbraw/zinc/17/38/78/1044173878.db2.gz KPFZKWBFQOSGOU-UHFFFAOYSA-N 1 2 348.402 3.987 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000344612484 1044185787 /nfs/dbraw/zinc/18/57/87/1044185787.db2.gz XCTLMCQETRRLLL-UHFFFAOYSA-N 1 2 329.419 3.774 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000279596293 1044283419 /nfs/dbraw/zinc/28/34/19/1044283419.db2.gz DCAQURXICKPCCJ-UHFFFAOYSA-N 1 2 332.498 3.762 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000279596293 1044283433 /nfs/dbraw/zinc/28/34/33/1044283433.db2.gz DCAQURXICKPCCJ-UHFFFAOYSA-N 1 2 332.498 3.762 20 0 EHADLO CCCCNC(=O)C1([NH2+]Cc2nc(C(C)(C)C)co2)CCCCC1 ZINC000893695977 1044293844 /nfs/dbraw/zinc/29/38/44/1044293844.db2.gz FDUXSAFHVNIZSK-UHFFFAOYSA-N 1 2 335.492 3.681 20 0 EHADLO CCOc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)ccc1OC ZINC000344715933 1044331902 /nfs/dbraw/zinc/33/19/02/1044331902.db2.gz ZHTCBDCNZGSODF-GFCCVEGCSA-N 1 2 336.457 3.548 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000645169253 1044375044 /nfs/dbraw/zinc/37/50/44/1044375044.db2.gz HWXYKFWQZSEENP-CYBMUJFWSA-N 1 2 345.748 3.888 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1)Cc1ccccc1F ZINC000337910482 1044544072 /nfs/dbraw/zinc/54/40/72/1044544072.db2.gz HVPRJOVHCHQRCI-UHFFFAOYSA-N 1 2 347.397 3.709 20 0 EHADLO CC(C)(C)c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ncn1 ZINC000663792389 1044617700 /nfs/dbraw/zinc/61/77/00/1044617700.db2.gz POHGFKQITAXKMB-UHFFFAOYSA-N 1 2 327.476 3.667 20 0 EHADLO CC(C)n1nccc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000279784299 1044662139 /nfs/dbraw/zinc/66/21/39/1044662139.db2.gz BDODHWZFKOMMJA-UHFFFAOYSA-N 1 2 333.439 3.991 20 0 EHADLO Cc1csc([C@H](C)CNc2nc(C)[nH+]c(C)c2Br)n1 ZINC000663796186 1044668337 /nfs/dbraw/zinc/66/83/37/1044668337.db2.gz BIFAHCWGKLXFKZ-SSDOTTSWSA-N 1 2 341.278 3.836 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000512329954 1044679988 /nfs/dbraw/zinc/67/99/88/1044679988.db2.gz UWAZNCOKNVIFBT-OZOXKJRCSA-N 1 2 349.478 3.730 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(CC1CC1)CC1CCC1 ZINC000279801808 1044685493 /nfs/dbraw/zinc/68/54/93/1044685493.db2.gz DTZPUACNRKFQTI-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000620333138 1125551651 /nfs/dbraw/zinc/55/16/51/1125551651.db2.gz JAJKZPINLBJQOB-SWLSCSKDSA-N 1 2 348.244 3.570 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1N1CCCCCC1 ZINC000620410763 1125567030 /nfs/dbraw/zinc/56/70/30/1125567030.db2.gz JSQNKWBWBVINRN-UHFFFAOYSA-N 1 2 326.444 3.682 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000620409683 1125567184 /nfs/dbraw/zinc/56/71/84/1125567184.db2.gz KFSNUNCEOQMWBI-GFCCVEGCSA-N 1 2 325.334 3.560 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000153558332 1125630000 /nfs/dbraw/zinc/63/00/00/1125630000.db2.gz CYSZFULXKZGFJG-ZFWWWQNUSA-N 1 2 345.830 3.659 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000183720103 1125736235 /nfs/dbraw/zinc/73/62/35/1125736235.db2.gz PWQPOQWFTMJEFM-ATZDWAIDSA-N 1 2 338.455 3.592 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154974831 1125771620 /nfs/dbraw/zinc/77/16/20/1125771620.db2.gz WZXYMUTZWUHBOR-ZDUSSCGKSA-N 1 2 337.876 3.566 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984710 1126728422 /nfs/dbraw/zinc/72/84/22/1126728422.db2.gz LPIDXPQNJQBANU-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984710 1126728427 /nfs/dbraw/zinc/72/84/27/1126728427.db2.gz LPIDXPQNJQBANU-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCCc3cn(C)c[nH+]3)c(F)c2)cc1 ZINC000622685739 1126742534 /nfs/dbraw/zinc/74/25/34/1126742534.db2.gz IMZBFRLKFYHJRO-UHFFFAOYSA-N 1 2 337.398 3.507 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1cccc(CCCc2ccccc2)c1 ZINC000171322245 1126761456 /nfs/dbraw/zinc/76/14/56/1126761456.db2.gz OZKKIRNLJDOPPU-UHFFFAOYSA-N 1 2 348.450 3.880 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(F)c1Br ZINC001238077951 1126767367 /nfs/dbraw/zinc/76/73/67/1126767367.db2.gz KVIUEDQGRWDFRO-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(F)c1Br ZINC001238077951 1126767370 /nfs/dbraw/zinc/76/73/70/1126767370.db2.gz KVIUEDQGRWDFRO-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3F)C[C@H]12 ZINC001238080531 1126774541 /nfs/dbraw/zinc/77/45/41/1126774541.db2.gz HVOWEGJNDQCINA-CABZTGNLSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3F)C[C@H]12 ZINC001238080531 1126774545 /nfs/dbraw/zinc/77/45/45/1126774545.db2.gz HVOWEGJNDQCINA-CABZTGNLSA-N 1 2 344.199 3.528 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000622810734 1126778233 /nfs/dbraw/zinc/77/82/33/1126778233.db2.gz WMHMHFPAPKABTD-OAQYLSRUSA-N 1 2 342.483 3.902 20 0 EHADLO COCCCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185233146 1126832255 /nfs/dbraw/zinc/83/22/55/1126832255.db2.gz RLOFMXPLGMTYNK-JTQLQIEISA-N 1 2 334.229 3.761 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1nccs1 ZINC000072662329 1126836187 /nfs/dbraw/zinc/83/61/87/1126836187.db2.gz NZQXKXJDPBPJQD-UHFFFAOYSA-N 1 2 325.437 3.760 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000175223230 1126867785 /nfs/dbraw/zinc/86/77/85/1126867785.db2.gz FEENPYJUPKYJMD-BXUZGUMPSA-N 1 2 349.887 3.815 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000623121776 1126880463 /nfs/dbraw/zinc/88/04/63/1126880463.db2.gz KPWBGFVYLSOAQB-AWEZNQCLSA-N 1 2 330.394 3.755 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000623121776 1126880467 /nfs/dbraw/zinc/88/04/67/1126880467.db2.gz KPWBGFVYLSOAQB-AWEZNQCLSA-N 1 2 330.394 3.755 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000623121072 1126880649 /nfs/dbraw/zinc/88/06/49/1126880649.db2.gz PFMGZARXBATXSE-INIZCTEOSA-N 1 2 330.394 3.774 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000623121072 1126880653 /nfs/dbraw/zinc/88/06/53/1126880653.db2.gz PFMGZARXBATXSE-INIZCTEOSA-N 1 2 330.394 3.774 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1F ZINC000623232126 1126899465 /nfs/dbraw/zinc/89/94/65/1126899465.db2.gz VMOOYFXRJNTASZ-QZTJIDSGSA-N 1 2 330.378 3.719 20 0 EHADLO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(C)ccc1OC ZINC000623234778 1126900370 /nfs/dbraw/zinc/90/03/70/1126900370.db2.gz WMPXSNDSUDDGOH-ICSRJNTNSA-N 1 2 338.451 3.758 20 0 EHADLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)c(F)c1 ZINC000623234623 1126900985 /nfs/dbraw/zinc/90/09/85/1126900985.db2.gz PWHZAMOTWXVODE-PIGZYNQJSA-N 1 2 332.806 3.843 20 0 EHADLO CC(C)(C)c1cc(NC(=O)CCCn2cc[nH+]c2)n(C(C)(C)C)n1 ZINC000623275544 1126908312 /nfs/dbraw/zinc/90/83/12/1126908312.db2.gz GGXIPQHPXJDFCB-UHFFFAOYSA-N 1 2 331.464 3.551 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)c(Cl)c21 ZINC000623299806 1126910697 /nfs/dbraw/zinc/91/06/97/1126910697.db2.gz DCXZGDPAGPZDKY-LLVKDONJSA-N 1 2 345.855 3.804 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)sc1-c1ccccc1 ZINC000623297497 1126910772 /nfs/dbraw/zinc/91/07/72/1126910772.db2.gz GJIAUGJYLKXJRH-HNNXBMFYSA-N 1 2 337.448 3.665 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623308278 1126912144 /nfs/dbraw/zinc/91/21/44/1126912144.db2.gz YHPLQRFFWQKRRU-LJQANCHMSA-N 1 2 339.483 3.536 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(C)c(Br)cn2)s1 ZINC000623442058 1126956889 /nfs/dbraw/zinc/95/68/89/1126956889.db2.gz YAQGUFGAZKFMNQ-UHFFFAOYSA-N 1 2 340.290 3.942 20 0 EHADLO COc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000623458342 1126959789 /nfs/dbraw/zinc/95/97/89/1126959789.db2.gz ULFDWSCCXSMBST-UHFFFAOYSA-N 1 2 346.858 3.793 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1Cl ZINC000623496279 1126970156 /nfs/dbraw/zinc/97/01/56/1126970156.db2.gz PCIQYEZKNIRXJP-UHFFFAOYSA-N 1 2 338.835 3.942 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)c2nccn21 ZINC000623540909 1126980928 /nfs/dbraw/zinc/98/09/28/1126980928.db2.gz NOJVXWHFVUZBGM-MFKMUULPSA-N 1 2 343.324 3.759 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)c2nccn21 ZINC000623540910 1126980988 /nfs/dbraw/zinc/98/09/88/1126980988.db2.gz NOJVXWHFVUZBGM-ZWNOBZJWSA-N 1 2 343.324 3.759 20 0 EHADLO C[C@H]([C@H](C)[N@H+](C)Cc1cccc(Oc2ccccc2)c1)S(C)(=O)=O ZINC000177682251 1126986922 /nfs/dbraw/zinc/98/69/22/1126986922.db2.gz DTJVGMGSJNCCNS-JKSUJKDBSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@H](C)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1)S(C)(=O)=O ZINC000177682251 1126986927 /nfs/dbraw/zinc/98/69/27/1126986927.db2.gz DTJVGMGSJNCCNS-JKSUJKDBSA-N 1 2 347.480 3.732 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2c(F)cccc2F)CCCC1 ZINC000623619867 1126997280 /nfs/dbraw/zinc/99/72/80/1126997280.db2.gz UIOHEEQJHSXAAI-UHFFFAOYSA-N 1 2 347.409 3.570 20 0 EHADLO COCC[C@@H]1CCCC[N@@H+]1Cc1ccnc(Br)c1Cl ZINC001238378207 1127021784 /nfs/dbraw/zinc/02/17/84/1127021784.db2.gz WHNCGCAIEYJSIV-LBPRGKRZSA-N 1 2 347.684 3.889 20 0 EHADLO COCC[C@@H]1CCCC[N@H+]1Cc1ccnc(Br)c1Cl ZINC001238378207 1127021788 /nfs/dbraw/zinc/02/17/88/1127021788.db2.gz WHNCGCAIEYJSIV-LBPRGKRZSA-N 1 2 347.684 3.889 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(CCC3CCOCC3)no2)c1 ZINC000349731408 1127050328 /nfs/dbraw/zinc/05/03/28/1127050328.db2.gz XSXLALRWFLDLFJ-UHFFFAOYSA-N 1 2 338.411 3.590 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000179525331 1127068936 /nfs/dbraw/zinc/06/89/36/1127068936.db2.gz CWZYDRUGXHZIQK-KGLIPLIRSA-N 1 2 333.432 3.805 20 0 EHADLO COC(=O)c1oc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1C ZINC000179990300 1127107008 /nfs/dbraw/zinc/10/70/08/1127107008.db2.gz VDZVNMYTLRYMMD-UHFFFAOYSA-N 1 2 335.350 3.822 20 0 EHADLO COC(=O)c1sccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179986044 1127107174 /nfs/dbraw/zinc/10/71/74/1127107174.db2.gz BCDWLGJOMMGDGW-UHFFFAOYSA-N 1 2 337.391 3.982 20 0 EHADLO CC(C)OCc1ccccc1-c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351398988 1127176671 /nfs/dbraw/zinc/17/66/71/1127176671.db2.gz AJZXTDOUVMTYDZ-CQSZACIVSA-N 1 2 326.400 3.662 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351436446 1127178212 /nfs/dbraw/zinc/17/82/12/1127178212.db2.gz VHZUTVBVVVENBT-DYVFJYSZSA-N 1 2 338.411 3.547 20 0 EHADLO CC(C)n1ccnc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000623799139 1127181382 /nfs/dbraw/zinc/18/13/82/1127181382.db2.gz QJCNJLQXKVEYNQ-OAHLLOKOSA-N 1 2 342.270 3.984 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000180826106 1127188589 /nfs/dbraw/zinc/18/85/89/1127188589.db2.gz CRHDGSVJURBLIZ-OAHLLOKOSA-N 1 2 339.443 3.695 20 0 EHADLO c1[nH+]cn2c1c(Sc1nnc(C3CC3)n1C1CC1)nc1ccccc12 ZINC000623826492 1127195378 /nfs/dbraw/zinc/19/53/78/1127195378.db2.gz BNQQTUFXUYOGII-UHFFFAOYSA-N 1 2 348.435 3.838 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cccc3c2OCCO3)CCC1 ZINC000623843435 1127198763 /nfs/dbraw/zinc/19/87/63/1127198763.db2.gz LDQDXUSRIDYCHQ-UHFFFAOYSA-N 1 2 331.362 3.905 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623992508 1127228702 /nfs/dbraw/zinc/22/87/02/1127228702.db2.gz PWURFTJGRRENBA-VIFPVBQESA-N 1 2 330.329 3.937 20 0 EHADLO CCO[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000624159749 1127260851 /nfs/dbraw/zinc/26/08/51/1127260851.db2.gz OLHUKBBVMQTNBN-GOSISDBHSA-N 1 2 341.455 3.886 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000181002542 1127263921 /nfs/dbraw/zinc/26/39/21/1127263921.db2.gz RIDRELFGQMJRGP-YVEFUNNKSA-N 1 2 333.407 3.937 20 0 EHADLO CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181889494 1127301491 /nfs/dbraw/zinc/30/14/91/1127301491.db2.gz KBOVZTMBKULLRN-QGZVFWFLSA-N 1 2 337.250 3.809 20 0 EHADLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000182015777 1127308070 /nfs/dbraw/zinc/30/80/70/1127308070.db2.gz QXZRINRIXGATBI-OAHLLOKOSA-N 1 2 344.480 3.992 20 0 EHADLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000182015777 1127308072 /nfs/dbraw/zinc/30/80/72/1127308072.db2.gz QXZRINRIXGATBI-OAHLLOKOSA-N 1 2 344.480 3.992 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc2c(c1)OCO2 ZINC000182299982 1127322536 /nfs/dbraw/zinc/32/25/36/1127322536.db2.gz UYMWBWXGCXPLSD-LLVKDONJSA-N 1 2 328.393 3.983 20 0 EHADLO O=C(/C=C/C1CCCCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001127724227 1127334457 /nfs/dbraw/zinc/33/44/57/1127334457.db2.gz SYCVRQKNHZUTIA-ZHACJKMWSA-N 1 2 344.474 3.997 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1F ZINC000360111567 1127337041 /nfs/dbraw/zinc/33/70/41/1127337041.db2.gz CVEFICSOPHZJHE-STQMWFEESA-N 1 2 332.423 3.564 20 0 EHADLO CCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1CC ZINC000182775792 1127347462 /nfs/dbraw/zinc/34/74/62/1127347462.db2.gz UCARPXJNKZRYPS-SFHVURJKSA-N 1 2 338.455 3.607 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cnc2ccsc2c1 ZINC000182885232 1127352135 /nfs/dbraw/zinc/35/21/35/1127352135.db2.gz FBRUIFGOWUBNLA-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000182908671 1127353671 /nfs/dbraw/zinc/35/36/71/1127353671.db2.gz WODSXQNKXDYBDP-OZAJXLCCSA-N 1 2 343.427 3.922 20 0 EHADLO CC(C)Cn1cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cn1 ZINC000182971641 1127356681 /nfs/dbraw/zinc/35/66/81/1127356681.db2.gz UUZFJQVZUOZYCC-UHFFFAOYSA-N 1 2 346.450 3.527 20 0 EHADLO CC(C)Cn1cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cn1 ZINC000182971641 1127356685 /nfs/dbraw/zinc/35/66/85/1127356685.db2.gz UUZFJQVZUOZYCC-UHFFFAOYSA-N 1 2 346.450 3.527 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000183199242 1127367160 /nfs/dbraw/zinc/36/71/60/1127367160.db2.gz UGQGQSJIIZWIKK-YCRPNKLZSA-N 1 2 343.279 3.598 20 0 EHADLO C[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1cccc(-n2cccn2)c1 ZINC000183598859 1127382310 /nfs/dbraw/zinc/38/23/10/1127382310.db2.gz KCVLPIDNVHSSJQ-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000184138329 1127395443 /nfs/dbraw/zinc/39/54/43/1127395443.db2.gz YHXIQZPJBNNNQL-NWDGAFQWSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000184138356 1127395588 /nfs/dbraw/zinc/39/55/88/1127395588.db2.gz YHXIQZPJBNNNQL-VXGBXAGGSA-N 1 2 337.876 3.633 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C)o1 ZINC000184663641 1127410516 /nfs/dbraw/zinc/41/05/16/1127410516.db2.gz RTTZXUZCWRNKHI-QGZVFWFLSA-N 1 2 344.455 3.801 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)c1ccc(C)o1 ZINC000184706533 1127411931 /nfs/dbraw/zinc/41/19/31/1127411931.db2.gz TZBSJXRQASMBLM-QGZVFWFLSA-N 1 2 330.428 3.627 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000184813315 1127413630 /nfs/dbraw/zinc/41/36/30/1127413630.db2.gz ZRNQBYWBRFQUSD-YJBOKZPZSA-N 1 2 348.487 3.514 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1C ZINC000185361989 1127425751 /nfs/dbraw/zinc/42/57/51/1127425751.db2.gz HRBJPXXXHGKMQD-BXUZGUMPSA-N 1 2 334.441 3.941 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cc(F)c(Cl)cc1Cl ZINC000193202702 1127434641 /nfs/dbraw/zinc/43/46/41/1127434641.db2.gz RINODOHLRJXADV-VIFPVBQESA-N 1 2 344.217 3.676 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000193323760 1127435802 /nfs/dbraw/zinc/43/58/02/1127435802.db2.gz WWXWCDYFPQPOCI-OAHLLOKOSA-N 1 2 346.446 3.766 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000193323760 1127435804 /nfs/dbraw/zinc/43/58/04/1127435804.db2.gz WWXWCDYFPQPOCI-OAHLLOKOSA-N 1 2 346.446 3.766 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cn(-c2ccccc2)nn1 ZINC000154815308 1127459052 /nfs/dbraw/zinc/45/90/52/1127459052.db2.gz KYYZOFXHAXRWEP-XIKOKIGWSA-N 1 2 340.377 3.884 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1nccn1-c1ccccc1)c1ccccc1 ZINC000764397546 1127490902 /nfs/dbraw/zinc/49/09/02/1127490902.db2.gz ARZAJEJYFAAUNO-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1nccn1-c1ccccc1)c1ccccc1 ZINC000764397546 1127490904 /nfs/dbraw/zinc/49/09/04/1127490904.db2.gz ARZAJEJYFAAUNO-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1Br ZINC001137800608 1127527635 /nfs/dbraw/zinc/52/76/35/1127527635.db2.gz RVYWYPVCVOBSCS-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1Br ZINC001137800608 1127527638 /nfs/dbraw/zinc/52/76/38/1127527638.db2.gz RVYWYPVCVOBSCS-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C)CC2)nc1-c1cccnc1 ZINC000764943393 1127552970 /nfs/dbraw/zinc/55/29/70/1127552970.db2.gz FETURCICXKMFFO-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C)CC2)nc1-c1cccnc1 ZINC000764943393 1127552972 /nfs/dbraw/zinc/55/29/72/1127552972.db2.gz FETURCICXKMFFO-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C)CC2)nc1-c1ccccn1 ZINC000764948349 1127558545 /nfs/dbraw/zinc/55/85/45/1127558545.db2.gz ZWAHGUICUZPMIG-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C)CC2)nc1-c1ccccn1 ZINC000764948349 1127558548 /nfs/dbraw/zinc/55/85/48/1127558548.db2.gz ZWAHGUICUZPMIG-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764961562 1127559270 /nfs/dbraw/zinc/55/92/70/1127559270.db2.gz CYAFMTCJEOESRP-OAHLLOKOSA-N 1 2 346.500 3.621 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764961562 1127559273 /nfs/dbraw/zinc/55/92/73/1127559273.db2.gz CYAFMTCJEOESRP-OAHLLOKOSA-N 1 2 346.500 3.621 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@H]2C)nc1-c1cccnc1 ZINC000765013134 1127562987 /nfs/dbraw/zinc/56/29/87/1127562987.db2.gz NJVCXCFLVUROCQ-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@H]2C)nc1-c1cccnc1 ZINC000765013134 1127562988 /nfs/dbraw/zinc/56/29/88/1127562988.db2.gz NJVCXCFLVUROCQ-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000765037670 1127565956 /nfs/dbraw/zinc/56/59/56/1127565956.db2.gz IAIDKMLTOLZPEH-GASCZTMLSA-N 1 2 346.475 3.785 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000765037670 1127565958 /nfs/dbraw/zinc/56/59/58/1127565958.db2.gz IAIDKMLTOLZPEH-GASCZTMLSA-N 1 2 346.475 3.785 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2c(=O)sc3c2CC[C@H](C)C3)n1 ZINC000765106827 1127573810 /nfs/dbraw/zinc/57/38/10/1127573810.db2.gz RECACLJNAXLSMP-XJKSGUPXSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2c(=O)sc3c2CC[C@H](C)C3)n1 ZINC000765106827 1127573814 /nfs/dbraw/zinc/57/38/14/1127573814.db2.gz RECACLJNAXLSMP-XJKSGUPXSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)o1 ZINC000765315775 1127596021 /nfs/dbraw/zinc/59/60/21/1127596021.db2.gz KMQVZYWRWCJTGY-CABCVRRESA-N 1 2 332.469 3.658 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(Cl)n1 ZINC000765317888 1127598238 /nfs/dbraw/zinc/59/82/38/1127598238.db2.gz DLSIBTBQVPGHHW-CYBMUJFWSA-N 1 2 349.887 3.624 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2noc(C3CCOCC3)n2)C2CCCC2)cc1 ZINC000171943858 1127633746 /nfs/dbraw/zinc/63/37/46/1127633746.db2.gz BFXXWEOOSGCVSZ-IBGZPJMESA-N 1 2 341.455 3.985 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2[nH+]1 ZINC000010896110 1127634505 /nfs/dbraw/zinc/63/45/05/1127634505.db2.gz XCVBWXLBJZYRPV-UHFFFAOYSA-N 1 2 329.787 3.851 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000021671015 1127684595 /nfs/dbraw/zinc/68/45/95/1127684595.db2.gz CITGZAVEDAABEG-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000021671015 1127684596 /nfs/dbraw/zinc/68/45/96/1127684596.db2.gz CITGZAVEDAABEG-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO O=C(Cc1ccccc1Cl)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238274 1127688384 /nfs/dbraw/zinc/68/83/84/1127688384.db2.gz KBIFZKHSMDFFBB-UHFFFAOYSA-N 1 2 349.887 3.964 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000022778322 1127691741 /nfs/dbraw/zinc/69/17/41/1127691741.db2.gz QOPPVZNQXGKXDF-RMKNXTFCSA-N 1 2 333.435 3.659 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC)cc1 ZINC000015296246 1127697993 /nfs/dbraw/zinc/69/79/93/1127697993.db2.gz WOQVGALZRMIDMM-OAHLLOKOSA-N 1 2 326.440 3.717 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000015296246 1127697995 /nfs/dbraw/zinc/69/79/95/1127697995.db2.gz WOQVGALZRMIDMM-OAHLLOKOSA-N 1 2 326.440 3.717 20 0 EHADLO C/C=C(/C=C\C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)CC ZINC000765662558 1127720960 /nfs/dbraw/zinc/72/09/60/1127720960.db2.gz SIDJQCFGPDJVCZ-BOVQKOAMSA-N 1 2 341.499 3.750 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1cccn3ccnc13)CC2 ZINC001142947925 1127742651 /nfs/dbraw/zinc/74/26/51/1127742651.db2.gz LLNHKRWMEPDXEX-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1cccn3ccnc13)CC2 ZINC001142947925 1127742653 /nfs/dbraw/zinc/74/26/53/1127742653.db2.gz LLNHKRWMEPDXEX-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO C[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000026345021 1127770474 /nfs/dbraw/zinc/77/04/74/1127770474.db2.gz SCLITGBGIYAPNN-UHFFFAOYSA-N 1 2 341.282 3.730 20 0 EHADLO C[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000026345021 1127770477 /nfs/dbraw/zinc/77/04/77/1127770477.db2.gz SCLITGBGIYAPNN-UHFFFAOYSA-N 1 2 341.282 3.730 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227533 1127778503 /nfs/dbraw/zinc/77/85/03/1127778503.db2.gz NPNHYUQCEKHEPD-CYBMUJFWSA-N 1 2 337.379 3.658 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227533 1127778507 /nfs/dbraw/zinc/77/85/07/1127778507.db2.gz NPNHYUQCEKHEPD-CYBMUJFWSA-N 1 2 337.379 3.658 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289331 1127787126 /nfs/dbraw/zinc/78/71/26/1127787126.db2.gz JKFZPOZIYPQCHI-ABAIWWIYSA-N 1 2 342.270 3.984 20 0 EHADLO CO[C@H](C[N@H+](C)CC(=O)Nc1ccccc1SC)c1ccccc1 ZINC000338544346 1127797068 /nfs/dbraw/zinc/79/70/68/1127797068.db2.gz MUKDTZMTVIEMDL-QGZVFWFLSA-N 1 2 344.480 3.667 20 0 EHADLO CO[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1SC)c1ccccc1 ZINC000338544346 1127797072 /nfs/dbraw/zinc/79/70/72/1127797072.db2.gz MUKDTZMTVIEMDL-QGZVFWFLSA-N 1 2 344.480 3.667 20 0 EHADLO CCn1cc(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cn1 ZINC000265592428 1127803627 /nfs/dbraw/zinc/80/36/27/1127803627.db2.gz ZSIYVPKMFCMPAK-UHFFFAOYSA-N 1 2 342.468 3.537 20 0 EHADLO Cc1ccccc1OCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029910744 1127811333 /nfs/dbraw/zinc/81/13/33/1127811333.db2.gz JBPXZJYGNKZYBP-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO Cc1ccc(C)c(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000029951396 1127811972 /nfs/dbraw/zinc/81/19/72/1127811972.db2.gz KOSRXEUBPAYDOE-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000030029112 1127813857 /nfs/dbraw/zinc/81/38/57/1127813857.db2.gz SFSXCSLKXHNIER-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000030029112 1127813860 /nfs/dbraw/zinc/81/38/60/1127813860.db2.gz SFSXCSLKXHNIER-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO CCC(CC)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186170585 1127840525 /nfs/dbraw/zinc/84/05/25/1127840525.db2.gz ZGXJYWBUKSMVSE-JTQLQIEISA-N 1 2 348.256 3.743 20 0 EHADLO CNc1ccc(Nc2cccc(CCNC(=O)OC(C)(C)C)c2)c[nH+]1 ZINC001203458930 1127873872 /nfs/dbraw/zinc/87/38/72/1127873872.db2.gz VEYYWGXEWPPLPP-UHFFFAOYSA-N 1 2 342.443 3.934 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265635518 1127883515 /nfs/dbraw/zinc/88/35/15/1127883515.db2.gz HCOLZDNKGFLVQV-UHFFFAOYSA-N 1 2 337.427 3.533 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265635518 1127883517 /nfs/dbraw/zinc/88/35/17/1127883517.db2.gz HCOLZDNKGFLVQV-UHFFFAOYSA-N 1 2 337.427 3.533 20 0 EHADLO c1ccc(-c2cccnc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212352361 1127911693 /nfs/dbraw/zinc/91/16/93/1127911693.db2.gz XJVXFWVWJJMSQT-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](C)C3)n2)C1 ZINC000043547618 1127922037 /nfs/dbraw/zinc/92/20/37/1127922037.db2.gz FBRBLWVBEMJYJK-KGLIPLIRSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](C)C3)n2)C1 ZINC000043547618 1127922041 /nfs/dbraw/zinc/92/20/41/1127922041.db2.gz FBRBLWVBEMJYJK-KGLIPLIRSA-N 1 2 336.505 3.639 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000351348910 1127923238 /nfs/dbraw/zinc/92/32/38/1127923238.db2.gz FLRMHSHVKNXDEI-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000351348910 1127923241 /nfs/dbraw/zinc/92/32/41/1127923241.db2.gz FLRMHSHVKNXDEI-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c(Cl)c1 ZINC000044438010 1127937142 /nfs/dbraw/zinc/93/71/42/1127937142.db2.gz OEEZMMSCGYIIBP-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(Cl)c1 ZINC000044438010 1127937145 /nfs/dbraw/zinc/93/71/45/1127937145.db2.gz OEEZMMSCGYIIBP-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2[nH+]1 ZINC000045056667 1127945044 /nfs/dbraw/zinc/94/50/44/1127945044.db2.gz QZLWPBSCQYCHFL-UHFFFAOYSA-N 1 2 349.312 3.908 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000045149920 1127946656 /nfs/dbraw/zinc/94/66/56/1127946656.db2.gz NQYHJIJXCKHWJD-GOSISDBHSA-N 1 2 326.444 3.580 20 0 EHADLO COC(=O)c1coc(COc2cc(C)[nH+]c3ccc(OC)cc32)c1 ZINC000338636503 1127949873 /nfs/dbraw/zinc/94/98/73/1127949873.db2.gz JXZVDKFWFBYREQ-UHFFFAOYSA-N 1 2 327.336 3.510 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046106033 1127969083 /nfs/dbraw/zinc/96/90/83/1127969083.db2.gz SIOODCPJLINDMP-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118591 1127969483 /nfs/dbraw/zinc/96/94/83/1127969483.db2.gz NGWMFWQHXHPOMZ-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO Cc1ccn(-c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)n1 ZINC000047109020 1128001407 /nfs/dbraw/zinc/00/14/07/1128001407.db2.gz FJAFMMXIAFXVHA-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1nc2cc(Cl)c(Nc3ccc[nH+]c3N3CCOCC3)cc2o1 ZINC001212362489 1128001458 /nfs/dbraw/zinc/00/14/58/1128001458.db2.gz MHXHEMFUXRXZSC-UHFFFAOYSA-N 1 2 344.802 3.765 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000057375865 1128045898 /nfs/dbraw/zinc/04/58/98/1128045898.db2.gz XQJJESXTQGYOSA-MRXNPFEDSA-N 1 2 344.459 3.511 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C3(c4ccccc4C)CCOCC3)cc2[nH+]1 ZINC000057430566 1128049160 /nfs/dbraw/zinc/04/91/60/1128049160.db2.gz YBTWEVFXHQPRFD-UHFFFAOYSA-N 1 2 349.434 3.867 20 0 EHADLO CC(C)[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000057590713 1128053375 /nfs/dbraw/zinc/05/33/75/1128053375.db2.gz NEAKSDNYBCZZHI-UHFFFAOYSA-N 1 2 345.834 3.534 20 0 EHADLO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000057590713 1128053378 /nfs/dbraw/zinc/05/33/78/1128053378.db2.gz NEAKSDNYBCZZHI-UHFFFAOYSA-N 1 2 345.834 3.534 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000058790736 1128080269 /nfs/dbraw/zinc/08/02/69/1128080269.db2.gz DPAJEALZUFYSAW-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2ccc(Cl)cc21 ZINC000058932189 1128085144 /nfs/dbraw/zinc/08/51/44/1128085144.db2.gz JGSSEQGDEQBUCE-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Sc2ccccc2)c1C ZINC000058958459 1128086377 /nfs/dbraw/zinc/08/63/77/1128086377.db2.gz PPNLEPBLFLCLGZ-HNNXBMFYSA-N 1 2 344.480 3.846 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(O)c1 ZINC000060297199 1128096053 /nfs/dbraw/zinc/09/60/53/1128096053.db2.gz DEKZIXSBIKADBO-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(Br)cs2)o1 ZINC000061042383 1128118055 /nfs/dbraw/zinc/11/80/55/1128118055.db2.gz OSZDNCXUVZPVSH-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Br)cs2)o1 ZINC000061042383 1128118058 /nfs/dbraw/zinc/11/80/58/1128118058.db2.gz OSZDNCXUVZPVSH-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)S[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000062698056 1128137289 /nfs/dbraw/zinc/13/72/89/1128137289.db2.gz MNMQOLYKHBUSBL-UONOGXRCSA-N 1 2 340.920 3.687 20 0 EHADLO FC(F)Oc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000065234122 1128187130 /nfs/dbraw/zinc/18/71/30/1128187130.db2.gz XCKFPUIESXDZLE-UHFFFAOYSA-N 1 2 332.394 3.606 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccoc1C)c1ccc(Cl)cc1 ZINC000065603129 1128195374 /nfs/dbraw/zinc/19/53/74/1128195374.db2.gz SFYBGZFWMOJBQO-QGZVFWFLSA-N 1 2 334.847 3.941 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccoc1C)c1ccc(Cl)cc1 ZINC000065603129 1128195377 /nfs/dbraw/zinc/19/53/77/1128195377.db2.gz SFYBGZFWMOJBQO-QGZVFWFLSA-N 1 2 334.847 3.941 20 0 EHADLO CC(C)Oc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066019441 1128209995 /nfs/dbraw/zinc/20/99/95/1128209995.db2.gz DDVZRJPZBYOBAR-UHFFFAOYSA-N 1 2 335.407 3.841 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2cccc(Cl)c2)CC1 ZINC000068422573 1128266435 /nfs/dbraw/zinc/26/64/35/1128266435.db2.gz WCEPMAJEQLAXMY-UHFFFAOYSA-N 1 2 343.858 3.775 20 0 EHADLO O=C(Cc1cccc2ccccc21)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000066965962 1128230904 /nfs/dbraw/zinc/23/09/04/1128230904.db2.gz AQJFRNFQTVSWMH-UHFFFAOYSA-N 1 2 345.446 3.694 20 0 EHADLO COc1ccc([C@H]2C[C@H]([NH2+]C(C)(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001168602393 1128280887 /nfs/dbraw/zinc/28/08/87/1128280887.db2.gz SRMWSEAHNRQOIS-NVXWUHKLSA-N 1 2 349.471 3.625 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069364101 1128286591 /nfs/dbraw/zinc/28/65/91/1128286591.db2.gz NJTZYLOPKHLQSP-DOTOQJQBSA-N 1 2 332.492 3.624 20 0 EHADLO CCOC[C@H]1CCCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)C1 ZINC000072946478 1128311447 /nfs/dbraw/zinc/31/14/47/1128311447.db2.gz QNPMIGIPESTHMG-HNNXBMFYSA-N 1 2 342.439 3.664 20 0 EHADLO O=C(Cn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000073243960 1128319353 /nfs/dbraw/zinc/31/93/53/1128319353.db2.gz DUFRWFVPNWMZSX-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H]([C@H]3CCCCO3)C1)nc1ccccc12 ZINC000624401115 1128350704 /nfs/dbraw/zinc/35/07/04/1128350704.db2.gz KEARIXQXXSVSDH-HNAYVOBHSA-N 1 2 336.439 3.668 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000624528491 1128386841 /nfs/dbraw/zinc/38/68/41/1128386841.db2.gz YAUIWDMLFDZHQQ-QWRGUYRKSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000624528491 1128386846 /nfs/dbraw/zinc/38/68/46/1128386846.db2.gz YAUIWDMLFDZHQQ-QWRGUYRKSA-N 1 2 349.422 3.902 20 0 EHADLO Cc1cc(N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)nc(C2CC2)[nH+]1 ZINC000624534416 1128388456 /nfs/dbraw/zinc/38/84/56/1128388456.db2.gz DBTKXYXZGDZBMA-OAQYLSRUSA-N 1 2 349.434 3.667 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2CC=CC2)c(C)c1 ZINC000624540709 1128389980 /nfs/dbraw/zinc/38/99/80/1128389980.db2.gz RUFQHQZTWUBWTO-LJQANCHMSA-N 1 2 338.455 3.507 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOC[C@H]3C)cc2)C1(C)C ZINC000765811365 1128427253 /nfs/dbraw/zinc/42/72/53/1128427253.db2.gz QNAJIQPNGUDLIS-AYOQOUSVSA-N 1 2 332.488 3.916 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3c(C4CC4)cnn3C)cc2)[nH+]c1C ZINC000921653945 1128436124 /nfs/dbraw/zinc/43/61/24/1128436124.db2.gz LXEBLGJWSVCHKN-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)cc2)[nH+]c1C ZINC000921655378 1128437280 /nfs/dbraw/zinc/43/72/80/1128437280.db2.gz ROVOZIDPHWYTOH-APPDUMDISA-N 1 2 349.438 3.721 20 0 EHADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921661668 1128439672 /nfs/dbraw/zinc/43/96/72/1128439672.db2.gz AHVGSQYSTTXLRI-JTQLQIEISA-N 1 2 337.427 3.776 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c1ccco1 ZINC000347635760 1128497752 /nfs/dbraw/zinc/49/77/52/1128497752.db2.gz LMQSORGUYCKVBG-IRXDYDNUSA-N 1 2 338.492 3.617 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856192 1128508523 /nfs/dbraw/zinc/50/85/23/1128508523.db2.gz LKSFFLUGBGEZCQ-JKSUJKDBSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856192 1128508525 /nfs/dbraw/zinc/50/85/25/1128508525.db2.gz LKSFFLUGBGEZCQ-JKSUJKDBSA-N 1 2 344.528 3.688 20 0 EHADLO C[NH+](C)[C@@H](CN[C@H](c1ccccc1)c1cncnc1)c1ccsc1 ZINC000542674953 1128523234 /nfs/dbraw/zinc/52/32/34/1128523234.db2.gz YDMKKLMJOAKZOO-RBUKOAKNSA-N 1 2 338.480 3.520 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccon1 ZINC000542712568 1128551809 /nfs/dbraw/zinc/55/18/09/1128551809.db2.gz VAIVKXKMINEAER-MRVPVSSYSA-N 1 2 347.159 3.889 20 0 EHADLO Cc1cccc([C@H](NC(=O)c2cccc3[nH+]ccn32)c2ccccn2)c1 ZINC000765891106 1128638753 /nfs/dbraw/zinc/63/87/53/1128638753.db2.gz DHAGTEAWNKGNTE-FQEVSTJZSA-N 1 2 342.402 3.557 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)CC(C)C ZINC000428835370 1128668482 /nfs/dbraw/zinc/66/84/82/1128668482.db2.gz QQHHJUURQCCIHO-UHFFFAOYSA-N 1 2 336.524 3.939 20 0 EHADLO C[C@@H]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000542850146 1128689844 /nfs/dbraw/zinc/68/98/44/1128689844.db2.gz IBMBKAHOVOEEIZ-UZLBHIALSA-N 1 2 338.455 3.594 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000072802607 1128737727 /nfs/dbraw/zinc/73/77/27/1128737727.db2.gz VEONZDAYBBGQEB-LJQANCHMSA-N 1 2 325.412 3.681 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000073135743 1128753853 /nfs/dbraw/zinc/75/38/53/1128753853.db2.gz QOKRREBHZREQAN-CQSZACIVSA-N 1 2 325.334 3.579 20 0 EHADLO COc1ccc(CCNc2[nH+]c(C)nc3[nH]ccc32)c(Cl)c1OC ZINC000338732073 1128778297 /nfs/dbraw/zinc/77/82/97/1128778297.db2.gz URSILTDUCCDXJA-UHFFFAOYSA-N 1 2 346.818 3.543 20 0 EHADLO COC(=O)c1coc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000338734685 1128786507 /nfs/dbraw/zinc/78/65/07/1128786507.db2.gz OVGRIEWBZLOUEG-PXAZEXFGSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1coc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000338734685 1128786511 /nfs/dbraw/zinc/78/65/11/1128786511.db2.gz OVGRIEWBZLOUEG-PXAZEXFGSA-N 1 2 329.396 3.947 20 0 EHADLO CC(C)OCCCNc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001168678970 1128800544 /nfs/dbraw/zinc/80/05/44/1128800544.db2.gz FRAVESPGOLVRRM-UHFFFAOYSA-N 1 2 337.427 3.556 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c(Cl)nc(Cl)n1C ZINC000765944175 1128806233 /nfs/dbraw/zinc/80/62/33/1128806233.db2.gz KUXDMAGXPFDKRM-UHFFFAOYSA-N 1 2 342.205 3.848 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000656249963 1128837207 /nfs/dbraw/zinc/83/72/07/1128837207.db2.gz CZGPIGDNTZOOLU-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000656249963 1128837210 /nfs/dbraw/zinc/83/72/10/1128837210.db2.gz CZGPIGDNTZOOLU-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(F)c(Br)c2)[nH+]1 ZINC000338757135 1128878050 /nfs/dbraw/zinc/87/80/50/1128878050.db2.gz OFSWBCMYBSWBGS-MRVPVSSYSA-N 1 2 349.207 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC001648856869 1120056321 /nfs/dbraw/zinc/05/63/21/1120056321.db2.gz ABCKAGODTXHBCK-LLVKDONJSA-N 1 2 334.872 3.863 20 0 EHADLO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC001648856869 1120056324 /nfs/dbraw/zinc/05/63/24/1120056324.db2.gz ABCKAGODTXHBCK-LLVKDONJSA-N 1 2 334.872 3.863 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000139571539 1120332909 /nfs/dbraw/zinc/33/29/09/1120332909.db2.gz MNBASBQBVXPTDL-UHFFFAOYSA-N 1 2 332.451 3.881 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000139571539 1120332913 /nfs/dbraw/zinc/33/29/13/1120332913.db2.gz MNBASBQBVXPTDL-UHFFFAOYSA-N 1 2 332.451 3.881 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000355318063 1128911030 /nfs/dbraw/zinc/91/10/30/1128911030.db2.gz NDESJJGFQKCUPY-KBPBESRZSA-N 1 2 345.409 3.663 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC1(Cc2ccccc2)CCCCC1 ZINC000184849099 1120389554 /nfs/dbraw/zinc/38/95/54/1120389554.db2.gz UTLQEGXTRBMONJ-UHFFFAOYSA-N 1 2 340.471 3.518 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+](CCO)Cc3cccc(F)c3)co2)cc1 ZINC000494289642 1120527352 /nfs/dbraw/zinc/52/73/52/1120527352.db2.gz DINCQHQYTQCQAU-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+](CCO)Cc3cccc(F)c3)co2)cc1 ZINC000494289642 1120527356 /nfs/dbraw/zinc/52/73/56/1120527356.db2.gz DINCQHQYTQCQAU-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1csc(Cl)c1 ZINC000189186995 1120551814 /nfs/dbraw/zinc/55/18/14/1120551814.db2.gz NQWLICOINMISEO-UHFFFAOYSA-N 1 2 347.827 3.929 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C[C@@H](O)C(F)(F)F ZINC000189484233 1120589684 /nfs/dbraw/zinc/58/96/84/1120589684.db2.gz BYJCSFAROZKPHB-CQSZACIVSA-N 1 2 348.752 3.740 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C[C@@H](O)C(F)(F)F ZINC000189484233 1120589687 /nfs/dbraw/zinc/58/96/87/1120589687.db2.gz BYJCSFAROZKPHB-CQSZACIVSA-N 1 2 348.752 3.740 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3CCOC4(CCCC4)C3)c12 ZINC000301680405 1128930037 /nfs/dbraw/zinc/93/00/37/1128930037.db2.gz FLMXWBQBARSVRN-HNNXBMFYSA-N 1 2 349.438 3.719 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)c1cn[nH]c1 ZINC000494633064 1120708262 /nfs/dbraw/zinc/70/82/62/1120708262.db2.gz TZVJSZLIXUIMHH-JTQLQIEISA-N 1 2 347.216 3.678 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C ZINC000494661077 1120715383 /nfs/dbraw/zinc/71/53/83/1120715383.db2.gz JDAULPIBTKQLAO-SFHVURJKSA-N 1 2 332.488 3.589 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1C ZINC000494661077 1120715387 /nfs/dbraw/zinc/71/53/87/1120715387.db2.gz JDAULPIBTKQLAO-SFHVURJKSA-N 1 2 332.488 3.589 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(C)n1C1CC1 ZINC000494667170 1120716163 /nfs/dbraw/zinc/71/61/63/1120716163.db2.gz NQTRJOKZOQDIHL-GOSISDBHSA-N 1 2 330.472 3.514 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(C)n1C1CC1 ZINC000494667170 1120716168 /nfs/dbraw/zinc/71/61/68/1120716168.db2.gz NQTRJOKZOQDIHL-GOSISDBHSA-N 1 2 330.472 3.514 20 0 EHADLO COc1cccc2c(NCc3ccc(OC4COC4)cc3)cc[nH+]c12 ZINC001168467887 1120746091 /nfs/dbraw/zinc/74/60/91/1120746091.db2.gz RYSSMEZMEVTXGC-UHFFFAOYSA-N 1 2 336.391 3.633 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2ccccc2Br)c(C)[nH+]1 ZINC000192824972 1120750117 /nfs/dbraw/zinc/75/01/17/1120750117.db2.gz UGTXOIOUABNPPT-UHFFFAOYSA-N 1 2 349.228 3.787 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000193066307 1120757871 /nfs/dbraw/zinc/75/78/71/1120757871.db2.gz VIZBBIREBUECPQ-CYBMUJFWSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000193066307 1120757877 /nfs/dbraw/zinc/75/78/77/1120757877.db2.gz VIZBBIREBUECPQ-CYBMUJFWSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000195450873 1120785348 /nfs/dbraw/zinc/78/53/48/1120785348.db2.gz CJCFXBROUYLKAM-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000195732349 1120814306 /nfs/dbraw/zinc/81/43/06/1120814306.db2.gz ARPIHNJOYSYECB-LLVKDONJSA-N 1 2 328.250 3.784 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000195732349 1120814308 /nfs/dbraw/zinc/81/43/08/1120814308.db2.gz ARPIHNJOYSYECB-LLVKDONJSA-N 1 2 328.250 3.784 20 0 EHADLO CO[C@@H](C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C)C1CCCC1 ZINC001168473622 1120898860 /nfs/dbraw/zinc/89/88/60/1120898860.db2.gz DMVCYOMUCHZFPK-RBUKOAKNSA-N 1 2 347.499 3.939 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000914572864 1120901073 /nfs/dbraw/zinc/90/10/73/1120901073.db2.gz JLMTWJZLZYRIHL-WCQYABFASA-N 1 2 329.469 3.706 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000914572864 1120901076 /nfs/dbraw/zinc/90/10/76/1120901076.db2.gz JLMTWJZLZYRIHL-WCQYABFASA-N 1 2 329.469 3.706 20 0 EHADLO Clc1ccsc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000495076922 1120947108 /nfs/dbraw/zinc/94/71/08/1120947108.db2.gz CHRFOUFVZNXNER-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO CCCC[N@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000914783698 1120984421 /nfs/dbraw/zinc/98/44/21/1120984421.db2.gz AUERAQQKYRZZHO-UHFFFAOYSA-N 1 2 341.238 3.811 20 0 EHADLO CCCC[N@@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000914783698 1120984423 /nfs/dbraw/zinc/98/44/23/1120984423.db2.gz AUERAQQKYRZZHO-UHFFFAOYSA-N 1 2 341.238 3.811 20 0 EHADLO Cc1cn2c(nc(C[NH2+][C@@H](C)c3ccccc3Cl)cc2=O)s1 ZINC000929859163 1121127014 /nfs/dbraw/zinc/12/70/14/1121127014.db2.gz LVJNGVMLQPSGOY-NSHDSACASA-N 1 2 333.844 3.569 20 0 EHADLO CCCC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1Cl ZINC000064807555 1128964828 /nfs/dbraw/zinc/96/48/28/1128964828.db2.gz CDIOVCLAHXYLOE-UHFFFAOYSA-N 1 2 335.835 3.877 20 0 EHADLO CCCC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1Cl ZINC000064807555 1128964831 /nfs/dbraw/zinc/96/48/31/1128964831.db2.gz CDIOVCLAHXYLOE-UHFFFAOYSA-N 1 2 335.835 3.877 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)c(Br)c1)CC(F)(F)F ZINC001235018629 1121251744 /nfs/dbraw/zinc/25/17/44/1121251744.db2.gz LJWFYXDSVABVTK-UHFFFAOYSA-N 1 2 348.166 3.629 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 ZINC000915209948 1121254589 /nfs/dbraw/zinc/25/45/89/1121254589.db2.gz QWIFKLGSCPIBLA-QOKNQOGYSA-N 1 2 325.456 3.563 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 ZINC000915209948 1121254593 /nfs/dbraw/zinc/25/45/93/1121254593.db2.gz QWIFKLGSCPIBLA-QOKNQOGYSA-N 1 2 325.456 3.563 20 0 EHADLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000172801597 1128973141 /nfs/dbraw/zinc/97/31/41/1128973141.db2.gz VNYWZAGSWYVHIM-OAHLLOKOSA-N 1 2 349.887 3.651 20 0 EHADLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000172801597 1128973144 /nfs/dbraw/zinc/97/31/44/1128973144.db2.gz VNYWZAGSWYVHIM-OAHLLOKOSA-N 1 2 349.887 3.651 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153524690 1121263635 /nfs/dbraw/zinc/26/36/35/1121263635.db2.gz ZULTUAUEXFPAMJ-ZDUSSCGKSA-N 1 2 346.500 3.694 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153524690 1121263642 /nfs/dbraw/zinc/26/36/42/1121263642.db2.gz ZULTUAUEXFPAMJ-ZDUSSCGKSA-N 1 2 346.500 3.694 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762400865 1121280991 /nfs/dbraw/zinc/28/09/91/1121280991.db2.gz HBGKGGUCMYCJHQ-UHFFFAOYSA-N 1 2 348.450 3.904 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 ZINC000053718188 1121418715 /nfs/dbraw/zinc/41/87/15/1121418715.db2.gz NTGRWNPBBOBPLQ-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 ZINC000053718188 1121418718 /nfs/dbraw/zinc/41/87/18/1121418718.db2.gz NTGRWNPBBOBPLQ-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO S=c1n(C[NH+]2CCCCCCC2)nnn1-c1ccc(Cl)cc1 ZINC000915794848 1121628850 /nfs/dbraw/zinc/62/88/50/1121628850.db2.gz NBHLUCLYRGPGFM-UHFFFAOYSA-N 1 2 337.880 3.675 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@H]1F ZINC001235589942 1121645415 /nfs/dbraw/zinc/64/54/15/1121645415.db2.gz GLMGCSAABLAPFH-NEPJUHHUSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@H]1F ZINC001235589942 1121645418 /nfs/dbraw/zinc/64/54/18/1121645418.db2.gz GLMGCSAABLAPFH-NEPJUHHUSA-N 1 2 326.626 3.942 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(Br)c3)[nH+]c12 ZINC000041284037 1121701385 /nfs/dbraw/zinc/70/13/85/1121701385.db2.gz NMUITXMUCUTRFW-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CCN1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)C1=O ZINC000656642370 1129004526 /nfs/dbraw/zinc/00/45/26/1129004526.db2.gz OWOLHBWJMQODGO-ZWKOTPCHSA-N 1 2 346.833 3.779 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3cc(-c4ccccc4)no3)CC2)cs1 ZINC000054117547 1121740258 /nfs/dbraw/zinc/74/02/58/1121740258.db2.gz YRMMTJAMHUDXFG-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO c1cc(CN2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cs1 ZINC000054117547 1121740265 /nfs/dbraw/zinc/74/02/65/1121740265.db2.gz YRMMTJAMHUDXFG-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2ccc(F)cc2)c1C ZINC000055023702 1121789154 /nfs/dbraw/zinc/78/91/54/1121789154.db2.gz HQXLCJWBSFHYNP-AWEZNQCLSA-N 1 2 344.430 3.719 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2ccc(F)cc2)c1C ZINC000055023702 1121789160 /nfs/dbraw/zinc/78/91/60/1121789160.db2.gz HQXLCJWBSFHYNP-AWEZNQCLSA-N 1 2 344.430 3.719 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000055528475 1121845467 /nfs/dbraw/zinc/84/54/67/1121845467.db2.gz UFNKPGZCVGGNHX-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000055528475 1121845479 /nfs/dbraw/zinc/84/54/79/1121845479.db2.gz UFNKPGZCVGGNHX-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO COC(=O)CC[N@H+](Cc1csc(C(C)C)n1)Cc1ccccc1 ZINC000065236452 1129020014 /nfs/dbraw/zinc/02/00/14/1129020014.db2.gz VMPODYGKNQUGEX-UHFFFAOYSA-N 1 2 332.469 3.832 20 0 EHADLO COC(=O)CC[N@@H+](Cc1csc(C(C)C)n1)Cc1ccccc1 ZINC000065236452 1129020019 /nfs/dbraw/zinc/02/00/19/1129020019.db2.gz VMPODYGKNQUGEX-UHFFFAOYSA-N 1 2 332.469 3.832 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332407 1121961992 /nfs/dbraw/zinc/96/19/92/1121961992.db2.gz LIEJOMRRUOSXSE-OAHLLOKOSA-N 1 2 346.475 3.929 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332407 1121961998 /nfs/dbraw/zinc/96/19/98/1121961998.db2.gz LIEJOMRRUOSXSE-OAHLLOKOSA-N 1 2 346.475 3.929 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000763332346 1121962533 /nfs/dbraw/zinc/96/25/33/1121962533.db2.gz KZOUKOXJMIXPNY-AWEZNQCLSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000763332346 1121962539 /nfs/dbraw/zinc/96/25/39/1121962539.db2.gz KZOUKOXJMIXPNY-AWEZNQCLSA-N 1 2 348.903 3.961 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000922012072 1129022900 /nfs/dbraw/zinc/02/29/00/1129022900.db2.gz ROZVDIUOAVGFLJ-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023265 1122024700 /nfs/dbraw/zinc/02/47/00/1122024700.db2.gz IZXKZBBUEDEUMY-NVXWUHKLSA-N 1 2 346.544 3.615 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000496272927 1122043823 /nfs/dbraw/zinc/04/38/23/1122043823.db2.gz IGVFSBDDFRIRTO-UHFFFAOYSA-N 1 2 348.340 3.507 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC000916091778 1122044493 /nfs/dbraw/zinc/04/44/93/1122044493.db2.gz ZXNHALRQLUTCFZ-CQSZACIVSA-N 1 2 331.847 3.709 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(F)c1 ZINC000172823735 1129034846 /nfs/dbraw/zinc/03/48/46/1129034846.db2.gz FMUVRITWHNVQAZ-OAHLLOKOSA-N 1 2 341.430 3.631 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(F)c1 ZINC000172823729 1129034924 /nfs/dbraw/zinc/03/49/24/1129034924.db2.gz FMUVRITWHNVQAZ-HNNXBMFYSA-N 1 2 341.430 3.631 20 0 EHADLO O=C(/C=C/c1ccccc1F)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916441966 1122154924 /nfs/dbraw/zinc/15/49/24/1122154924.db2.gz DEQMRKYDQAFCBB-CMDGGOBGSA-N 1 2 339.414 3.541 20 0 EHADLO Oc1cccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000328296681 1122172642 /nfs/dbraw/zinc/17/26/42/1122172642.db2.gz COLFQOMMTYEHQS-QGZVFWFLSA-N 1 2 330.859 3.800 20 0 EHADLO Oc1cccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000328296681 1122172645 /nfs/dbraw/zinc/17/26/45/1122172645.db2.gz COLFQOMMTYEHQS-QGZVFWFLSA-N 1 2 330.859 3.800 20 0 EHADLO Brc1ccccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000037203311 1122174647 /nfs/dbraw/zinc/17/46/47/1122174647.db2.gz DTOAYUXVEGMYEU-UHFFFAOYSA-N 1 2 332.245 3.925 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123539566 1122255930 /nfs/dbraw/zinc/25/59/30/1122255930.db2.gz AIAPEAMVEUKRRG-MJGOQNOKSA-N 1 2 339.483 3.969 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000125780353 1122338057 /nfs/dbraw/zinc/33/80/57/1122338057.db2.gz RGJYKHSAAOSJBZ-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)ccc1O ZINC000125975412 1122371357 /nfs/dbraw/zinc/37/13/57/1122371357.db2.gz YHQLXXBVZDIASW-GFCCVEGCSA-N 1 2 332.469 3.614 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)ccc1O ZINC000125975412 1122371359 /nfs/dbraw/zinc/37/13/59/1122371359.db2.gz YHQLXXBVZDIASW-GFCCVEGCSA-N 1 2 332.469 3.614 20 0 EHADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC000497227158 1122391748 /nfs/dbraw/zinc/39/17/48/1122391748.db2.gz KYGAFLMDVVTOAP-BENRWUELSA-N 1 2 335.275 3.781 20 0 EHADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000916970099 1122426349 /nfs/dbraw/zinc/42/63/49/1122426349.db2.gz LOXDBNOCGLUSLF-UHFFFAOYSA-N 1 2 349.887 3.730 20 0 EHADLO CCc1cc(C)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)o1 ZINC000127023122 1122456889 /nfs/dbraw/zinc/45/68/89/1122456889.db2.gz XHRFSSMEWHFCCJ-UHFFFAOYSA-N 1 2 342.439 3.543 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000917057132 1122457098 /nfs/dbraw/zinc/45/70/98/1122457098.db2.gz OOBUVKXWYSRADA-OAHLLOKOSA-N 1 2 347.846 3.599 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000917057132 1122457099 /nfs/dbraw/zinc/45/70/99/1122457099.db2.gz OOBUVKXWYSRADA-OAHLLOKOSA-N 1 2 347.846 3.599 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127125368 1122464158 /nfs/dbraw/zinc/46/41/58/1122464158.db2.gz PUQPMMWYOPMLKY-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127125368 1122464160 /nfs/dbraw/zinc/46/41/60/1122464160.db2.gz PUQPMMWYOPMLKY-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000917073698 1122478881 /nfs/dbraw/zinc/47/88/81/1122478881.db2.gz OVEHPKSKJXFRQP-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000917073698 1122478882 /nfs/dbraw/zinc/47/88/82/1122478882.db2.gz OVEHPKSKJXFRQP-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO CC1(C)CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000497356641 1122500559 /nfs/dbraw/zinc/50/05/59/1122500559.db2.gz AZCWYCYTVDFUAZ-UHFFFAOYSA-N 1 2 335.498 3.932 20 0 EHADLO CC1(C)CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000497356641 1122500563 /nfs/dbraw/zinc/50/05/63/1122500563.db2.gz AZCWYCYTVDFUAZ-UHFFFAOYSA-N 1 2 335.498 3.932 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ccccc2OC)n1 ZINC000127806726 1122508409 /nfs/dbraw/zinc/50/84/09/1122508409.db2.gz IICDNTRFNHFUND-CYBMUJFWSA-N 1 2 335.473 3.567 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ccccc2OC)n1 ZINC000127806726 1122508411 /nfs/dbraw/zinc/50/84/11/1122508411.db2.gz IICDNTRFNHFUND-CYBMUJFWSA-N 1 2 335.473 3.567 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)ccc1F ZINC000067523514 1122518863 /nfs/dbraw/zinc/51/88/63/1122518863.db2.gz MBSVZWDQLNWEBK-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(-c2ccccc2)nc1 ZINC000067831931 1122538974 /nfs/dbraw/zinc/53/89/74/1122538974.db2.gz UZBOMVSEWDQDAX-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CCCCCC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(C)o1 ZINC000917171260 1122547869 /nfs/dbraw/zinc/54/78/69/1122547869.db2.gz KMEFTRMOOMGDHE-UHFFFAOYSA-N 1 2 333.432 3.905 20 0 EHADLO CCCCCC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(C)o1 ZINC000917171260 1122547873 /nfs/dbraw/zinc/54/78/73/1122547873.db2.gz KMEFTRMOOMGDHE-UHFFFAOYSA-N 1 2 333.432 3.905 20 0 EHADLO O=C(/C=C/c1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000917403213 1122597071 /nfs/dbraw/zinc/59/70/71/1122597071.db2.gz UZRPPETYXVFSLM-QPJJXVBHSA-N 1 2 325.318 3.802 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000128465308 1122604046 /nfs/dbraw/zinc/60/40/46/1122604046.db2.gz WWHLFXGICBDJEX-CQSZACIVSA-N 1 2 330.453 3.734 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000917454622 1122611054 /nfs/dbraw/zinc/61/10/54/1122611054.db2.gz VKEGDPPFSFMEBA-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000917454622 1122611057 /nfs/dbraw/zinc/61/10/57/1122611057.db2.gz VKEGDPPFSFMEBA-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000917482025 1122614010 /nfs/dbraw/zinc/61/40/10/1122614010.db2.gz CJKIZRNHLYCDRW-MRXNPFEDSA-N 1 2 346.858 3.754 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000917482025 1122614013 /nfs/dbraw/zinc/61/40/13/1122614013.db2.gz CJKIZRNHLYCDRW-MRXNPFEDSA-N 1 2 346.858 3.754 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128526241 1122616430 /nfs/dbraw/zinc/61/64/30/1122616430.db2.gz WOOCINMNZDOWGJ-KRWDZBQOSA-N 1 2 342.508 3.895 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3cc[nH]c3c2)n1 ZINC000917631107 1122658720 /nfs/dbraw/zinc/65/87/20/1122658720.db2.gz KOTLXQJYLJYKPQ-UHFFFAOYSA-N 1 2 328.441 3.719 20 0 EHADLO FC(F)O[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000679681500 1129074944 /nfs/dbraw/zinc/07/49/44/1129074944.db2.gz IGQRQBVPJCUZGN-MRVPVSSYSA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000679681500 1129074949 /nfs/dbraw/zinc/07/49/49/1129074949.db2.gz IGQRQBVPJCUZGN-MRVPVSSYSA-N 1 2 326.206 3.714 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000498011843 1122725759 /nfs/dbraw/zinc/72/57/59/1122725759.db2.gz JLZLXSFTMWYOFM-WMZOPIPTSA-N 1 2 325.456 3.878 20 0 EHADLO c1csc([C@@H]([NH2+]CCc2cccc3ccccc32)c2nnc[nH]2)c1 ZINC000556060694 1122798839 /nfs/dbraw/zinc/79/88/39/1122798839.db2.gz KUEUIMMHEGRCBS-GOSISDBHSA-N 1 2 334.448 3.941 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000556086605 1122805437 /nfs/dbraw/zinc/80/54/37/1122805437.db2.gz ACSWXOADZKBCFL-MRXNPFEDSA-N 1 2 349.471 3.909 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000556086605 1122805443 /nfs/dbraw/zinc/80/54/43/1122805443.db2.gz ACSWXOADZKBCFL-MRXNPFEDSA-N 1 2 349.471 3.909 20 0 EHADLO C[C@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)Cn1cc[nH+]c1 ZINC000130012303 1122866515 /nfs/dbraw/zinc/86/65/15/1122866515.db2.gz ZIRRNTGLIFKSFO-OAHLLOKOSA-N 1 2 347.418 3.778 20 0 EHADLO CCOCCOc1ccccc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000130034228 1122869955 /nfs/dbraw/zinc/86/99/55/1122869955.db2.gz UWJGSSHJMCVWIO-UHFFFAOYSA-N 1 2 328.412 3.674 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000130091114 1122883267 /nfs/dbraw/zinc/88/32/67/1122883267.db2.gz VYZUKWUGNHJCQK-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000130130396 1122894157 /nfs/dbraw/zinc/89/41/57/1122894157.db2.gz YCQOYJGQNDIOFJ-HSZRJFAPSA-N 1 2 335.419 3.867 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000130130396 1122894158 /nfs/dbraw/zinc/89/41/58/1122894158.db2.gz YCQOYJGQNDIOFJ-HSZRJFAPSA-N 1 2 335.419 3.867 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc5cc[nH]c5c4)no3)[nH+]c12 ZINC000547047124 1122959733 /nfs/dbraw/zinc/95/97/33/1122959733.db2.gz QRIUWGYVSIAGHY-UHFFFAOYSA-N 1 2 329.363 3.765 20 0 EHADLO CC[C@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000130558681 1122965622 /nfs/dbraw/zinc/96/56/22/1122965622.db2.gz MQEAOKBASANDLX-WHWKNOJMSA-N 1 2 338.436 3.610 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000071996557 1123031330 /nfs/dbraw/zinc/03/13/30/1123031330.db2.gz SXOCMZGDUJCVCW-OAHLLOKOSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000071996557 1123031335 /nfs/dbraw/zinc/03/13/35/1123031335.db2.gz SXOCMZGDUJCVCW-OAHLLOKOSA-N 1 2 345.361 3.545 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000556689471 1123084193 /nfs/dbraw/zinc/08/41/93/1123084193.db2.gz ZEKIOYXIEQIWNB-HOCLYGCPSA-N 1 2 331.847 3.757 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672888541 1129101350 /nfs/dbraw/zinc/10/13/50/1129101350.db2.gz OADALMMGFJMEIO-AWEZNQCLSA-N 1 2 330.391 3.700 20 0 EHADLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1Cl ZINC000155086582 1123146169 /nfs/dbraw/zinc/14/61/69/1123146169.db2.gz RLDIKCKJNFDQMC-MRXNPFEDSA-N 1 2 326.223 3.696 20 0 EHADLO COc1ccc[nH+]c1NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000556837733 1123148207 /nfs/dbraw/zinc/14/82/07/1123148207.db2.gz BCWYSSNEGDDSFI-UHFFFAOYSA-N 1 2 348.328 3.907 20 0 EHADLO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000132121780 1123202919 /nfs/dbraw/zinc/20/29/19/1123202919.db2.gz OPFDOBNVFYHEIU-MRXNPFEDSA-N 1 2 334.851 3.719 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000132292739 1123216142 /nfs/dbraw/zinc/21/61/42/1123216142.db2.gz GKCCWXWJWSVCNX-IBGZPJMESA-N 1 2 346.858 3.554 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556943757 1123226151 /nfs/dbraw/zinc/22/61/51/1123226151.db2.gz PNLZRTLSYROOKG-HOTGVXAUSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556943757 1123226154 /nfs/dbraw/zinc/22/61/54/1123226154.db2.gz PNLZRTLSYROOKG-HOTGVXAUSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)c2ccccc2C1=O ZINC000919953655 1123244704 /nfs/dbraw/zinc/24/47/04/1123244704.db2.gz NUUYTEKKUBHDEZ-UHFFFAOYSA-N 1 2 344.414 3.915 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)c2ccccc2C1=O ZINC000919953655 1123244709 /nfs/dbraw/zinc/24/47/09/1123244709.db2.gz NUUYTEKKUBHDEZ-UHFFFAOYSA-N 1 2 344.414 3.915 20 0 EHADLO CCc1ccc(-c2ccc(C[NH2+][C@@H](C)c3nnc4n3CCC4)o2)cc1 ZINC000499224076 1123287546 /nfs/dbraw/zinc/28/75/46/1123287546.db2.gz VSJIRSGBFNCNFW-AWEZNQCLSA-N 1 2 336.439 3.898 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)n1 ZINC000920086931 1123288299 /nfs/dbraw/zinc/28/82/99/1123288299.db2.gz UCHMDOHKYPHQMR-CYBMUJFWSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)n1 ZINC000920086931 1123288302 /nfs/dbraw/zinc/28/83/02/1123288302.db2.gz UCHMDOHKYPHQMR-CYBMUJFWSA-N 1 2 337.254 3.866 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccsc2C1 ZINC000132747301 1123295496 /nfs/dbraw/zinc/29/54/96/1123295496.db2.gz RLNNZSSNMNXIGS-NSHDSACASA-N 1 2 343.477 3.743 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccsc2C1 ZINC000132747301 1123295501 /nfs/dbraw/zinc/29/55/01/1123295501.db2.gz RLNNZSSNMNXIGS-NSHDSACASA-N 1 2 343.477 3.743 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(Cl)n1 ZINC000155197708 1123314705 /nfs/dbraw/zinc/31/47/05/1123314705.db2.gz RDLTZAVPXMPZCO-UHFFFAOYSA-N 1 2 330.750 3.621 20 0 EHADLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000920313331 1123356807 /nfs/dbraw/zinc/35/68/07/1123356807.db2.gz ZAQQZGTXMBQWGC-UHFFFAOYSA-N 1 2 344.390 3.637 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920313299 1123357063 /nfs/dbraw/zinc/35/70/63/1123357063.db2.gz VAVPTHQTEZACRA-CJNGLKHVSA-N 1 2 346.475 3.554 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000921126897 1123468964 /nfs/dbraw/zinc/46/89/64/1123468964.db2.gz RIUNYUOADATXEQ-HXUWFJFHSA-N 1 2 325.456 3.665 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cccc2)cc1 ZINC000921149243 1123472425 /nfs/dbraw/zinc/47/24/25/1123472425.db2.gz ZDLQBROBXVDDFF-UHFFFAOYSA-N 1 2 342.402 3.593 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c(C)c1 ZINC000133965803 1123476982 /nfs/dbraw/zinc/47/69/82/1123476982.db2.gz BDZYBOUCPUJQLA-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(F)cc3C2)c(C)c1 ZINC000133965803 1123476985 /nfs/dbraw/zinc/47/69/85/1123476985.db2.gz BDZYBOUCPUJQLA-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479130 1123528982 /nfs/dbraw/zinc/52/89/82/1123528982.db2.gz RKACDUGAFDOCAR-IRXDYDNUSA-N 1 2 342.487 3.616 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479130 1123528985 /nfs/dbraw/zinc/52/89/85/1123528985.db2.gz RKACDUGAFDOCAR-IRXDYDNUSA-N 1 2 342.487 3.616 20 0 EHADLO Fc1cc([C@@H]2C[N@H+](CC3CCOCC3)CCO2)c(Cl)cc1Cl ZINC000171829145 1123533124 /nfs/dbraw/zinc/53/31/24/1123533124.db2.gz SZSOFINZVRHUIR-INIZCTEOSA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)c(Cl)cc1Cl ZINC000171829145 1123533128 /nfs/dbraw/zinc/53/31/28/1123533128.db2.gz SZSOFINZVRHUIR-INIZCTEOSA-N 1 2 348.245 3.932 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000174958166 1123565491 /nfs/dbraw/zinc/56/54/91/1123565491.db2.gz SQPZEPIQVHRXJW-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000174958166 1123565493 /nfs/dbraw/zinc/56/54/93/1123565493.db2.gz SQPZEPIQVHRXJW-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000135401468 1123608812 /nfs/dbraw/zinc/60/88/12/1123608812.db2.gz RHXFCJFZONKSLL-WDEREUQCSA-N 1 2 347.265 3.617 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000135401468 1123608813 /nfs/dbraw/zinc/60/88/13/1123608813.db2.gz RHXFCJFZONKSLL-WDEREUQCSA-N 1 2 347.265 3.617 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(I)cc1 ZINC000135401409 1123608994 /nfs/dbraw/zinc/60/89/94/1123608994.db2.gz RHXFCJFZONKSLL-MNOVXSKESA-N 1 2 347.265 3.617 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(I)cc1 ZINC000135401409 1123608996 /nfs/dbraw/zinc/60/89/96/1123608996.db2.gz RHXFCJFZONKSLL-MNOVXSKESA-N 1 2 347.265 3.617 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609554345 1123613373 /nfs/dbraw/zinc/61/33/73/1123613373.db2.gz CNGDBVDYOCUFEM-INIZCTEOSA-N 1 2 330.457 3.615 20 0 EHADLO FC(F)(Br)C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000922126453 1129133619 /nfs/dbraw/zinc/13/36/19/1129133619.db2.gz ICQOKXOOMLFOIB-VXGBXAGGSA-N 1 2 326.225 3.549 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135474953 1123619924 /nfs/dbraw/zinc/61/99/24/1123619924.db2.gz AVCJTZURRQGTTC-WNKDZCFJSA-N 1 2 345.487 3.701 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135474953 1123619925 /nfs/dbraw/zinc/61/99/25/1123619925.db2.gz AVCJTZURRQGTTC-WNKDZCFJSA-N 1 2 345.487 3.701 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000175391669 1123671380 /nfs/dbraw/zinc/67/13/80/1123671380.db2.gz DQCQZLOPRQRMET-JKSUJKDBSA-N 1 2 340.471 3.981 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1Cl ZINC000079255797 1123681471 /nfs/dbraw/zinc/68/14/71/1123681471.db2.gz ARUORDFPWCTLFE-UHFFFAOYSA-N 1 2 329.831 3.655 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1CCc2ccccc21 ZINC000615336470 1123783178 /nfs/dbraw/zinc/78/31/78/1123783178.db2.gz XPDVTUCDHYCGDG-STQMWFEESA-N 1 2 330.378 3.593 20 0 EHADLO CN(CCc1cccs1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000081298375 1123786942 /nfs/dbraw/zinc/78/69/42/1123786942.db2.gz MWALYFHTDFKAHC-RMKNXTFCSA-N 1 2 337.448 3.648 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245476240 1123845795 /nfs/dbraw/zinc/84/57/95/1123845795.db2.gz SRWJYNMAWOFRQF-KGLIPLIRSA-N 1 2 330.428 3.805 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245476240 1123845800 /nfs/dbraw/zinc/84/58/00/1123845800.db2.gz SRWJYNMAWOFRQF-KGLIPLIRSA-N 1 2 330.428 3.805 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664847 1123915276 /nfs/dbraw/zinc/91/52/76/1123915276.db2.gz IOEURHFKYPFENR-WMZOPIPTSA-N 1 2 347.409 3.522 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664847 1123915282 /nfs/dbraw/zinc/91/52/82/1123915282.db2.gz IOEURHFKYPFENR-WMZOPIPTSA-N 1 2 347.409 3.522 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690979 1123926391 /nfs/dbraw/zinc/92/63/91/1123926391.db2.gz OVSVNUIPDNGXIO-ZWKOTPCHSA-N 1 2 349.425 3.510 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690979 1123926393 /nfs/dbraw/zinc/92/63/93/1123926393.db2.gz OVSVNUIPDNGXIO-ZWKOTPCHSA-N 1 2 349.425 3.510 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180062803 1123934739 /nfs/dbraw/zinc/93/47/39/1123934739.db2.gz IZCXXLZYHUKVGL-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180062803 1123934741 /nfs/dbraw/zinc/93/47/41/1123934741.db2.gz IZCXXLZYHUKVGL-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245725877 1123936848 /nfs/dbraw/zinc/93/68/48/1123936848.db2.gz XHXCSTWCINEMIW-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245725877 1123936850 /nfs/dbraw/zinc/93/68/50/1123936850.db2.gz XHXCSTWCINEMIW-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616327946 1123983129 /nfs/dbraw/zinc/98/31/29/1123983129.db2.gz DWKCSTBFZHCVQT-CEXWTWQISA-N 1 2 337.467 3.630 20 0 EHADLO O=C(NNc1cc[nH+]cc1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000180541300 1124024521 /nfs/dbraw/zinc/02/45/21/1124024521.db2.gz MEPLXKBDQBYMDD-UHFFFAOYSA-N 1 2 339.782 3.865 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246136993 1124030313 /nfs/dbraw/zinc/03/03/13/1124030313.db2.gz RRVUHDKEYBMAAR-HZPDHXFCSA-N 1 2 341.858 3.664 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)N(C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246136993 1124030318 /nfs/dbraw/zinc/03/03/18/1124030318.db2.gz RRVUHDKEYBMAAR-HZPDHXFCSA-N 1 2 341.858 3.664 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC[C@H]2C=CCC2)CC1 ZINC001687440319 1124055495 /nfs/dbraw/zinc/05/54/95/1124055495.db2.gz XGMLMGOEEGWIBJ-QFBILLFUSA-N 1 2 345.462 3.570 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000749954528 1124081336 /nfs/dbraw/zinc/08/13/36/1124081336.db2.gz XLNUFDKCJHDZGQ-CQSZACIVSA-N 1 2 332.391 3.708 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000749954528 1124081339 /nfs/dbraw/zinc/08/13/39/1124081339.db2.gz XLNUFDKCJHDZGQ-CQSZACIVSA-N 1 2 332.391 3.708 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000543051377 1129165299 /nfs/dbraw/zinc/16/52/99/1129165299.db2.gz CCBPALYDAJPTIY-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353405326 1124099932 /nfs/dbraw/zinc/09/99/32/1124099932.db2.gz RXDGBCSMXJJQNW-HUUCEWRRSA-N 1 2 332.245 3.827 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000246902275 1124564022 /nfs/dbraw/zinc/56/40/22/1124564022.db2.gz JVXZTYBXFBPMMX-RVKKMQEKSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000246902275 1124564029 /nfs/dbraw/zinc/56/40/29/1124564029.db2.gz JVXZTYBXFBPMMX-RVKKMQEKSA-N 1 2 343.423 3.898 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247168670 1124592478 /nfs/dbraw/zinc/59/24/78/1124592478.db2.gz XUGNUJYXWVJSNN-GJZGRUSLSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247168670 1124592485 /nfs/dbraw/zinc/59/24/85/1124592485.db2.gz XUGNUJYXWVJSNN-GJZGRUSLSA-N 1 2 326.843 3.777 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000617623044 1124689920 /nfs/dbraw/zinc/68/99/20/1124689920.db2.gz PXHBOQGLZVAUMY-HZPDHXFCSA-N 1 2 337.448 3.569 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069389951 1124742167 /nfs/dbraw/zinc/74/21/67/1124742167.db2.gz JGEIJNCQVKQNIF-UHFFFAOYSA-N 1 2 341.414 3.884 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249274691 1124749170 /nfs/dbraw/zinc/74/91/70/1124749170.db2.gz COADDDJOGFSMQL-XYVMCAHJSA-N 1 2 330.472 3.526 20 0 EHADLO Cc1cc(NCCCN(C(=O)OC(C)(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC000734834782 1131284281 /nfs/dbraw/zinc/28/42/81/1131284281.db2.gz IMPSXSINEHQQGA-UHFFFAOYSA-N 1 2 346.475 3.864 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC4(CCCC4)[C@@H]3c3ccco3)[nH+]c12 ZINC000617916063 1124833952 /nfs/dbraw/zinc/83/39/52/1124833952.db2.gz DYUHPFIAMLXJKP-IBGZPJMESA-N 1 2 349.434 3.922 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1c2ccccc2c2ccccc21 ZINC000618026675 1124926105 /nfs/dbraw/zinc/92/61/05/1124926105.db2.gz WRDZNQVVVJMIOY-INIZCTEOSA-N 1 2 346.434 3.586 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C ZINC000251901616 1124954252 /nfs/dbraw/zinc/95/42/52/1124954252.db2.gz QZPDEULWUGVSTK-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C ZINC000251901616 1124954253 /nfs/dbraw/zinc/95/42/53/1124954253.db2.gz QZPDEULWUGVSTK-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1cc(NC(=O)CCOc2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC001127644594 1125004299 /nfs/dbraw/zinc/00/42/99/1125004299.db2.gz DZBFMXRBCCEZJQ-UHFFFAOYSA-N 1 2 325.195 3.526 20 0 EHADLO Cl/C=C(\Cl)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000763522500 1125259751 /nfs/dbraw/zinc/25/97/51/1125259751.db2.gz ZBIPIESNTGLTSQ-UVTDQMKNSA-N 1 2 337.254 3.970 20 0 EHADLO Cc1cc(Br)cc(C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649623883 1125282814 /nfs/dbraw/zinc/28/28/14/1125282814.db2.gz GQVZUFCZLRUPIP-GFCCVEGCSA-N 1 2 336.233 3.852 20 0 EHADLO COc1cc(OC)cc(N2CCC[N@H+](C/C(Cl)=C/Cl)CC2)c1 ZINC000763589241 1125388531 /nfs/dbraw/zinc/38/85/31/1125388531.db2.gz XBRORYRLXSLWLC-QBFSEMIESA-N 1 2 345.270 3.535 20 0 EHADLO COc1cc(OC)cc(N2CCC[N@@H+](C/C(Cl)=C/Cl)CC2)c1 ZINC000763589241 1125388533 /nfs/dbraw/zinc/38/85/33/1125388533.db2.gz XBRORYRLXSLWLC-QBFSEMIESA-N 1 2 345.270 3.535 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152857096 1125389112 /nfs/dbraw/zinc/38/91/12/1125389112.db2.gz QNJAFRZJUHUSAS-HQRMLTQVSA-N 1 2 337.467 3.754 20 0 EHADLO CCc1oc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1C(=O)OC ZINC000619844987 1125416138 /nfs/dbraw/zinc/41/61/38/1125416138.db2.gz NRVCUCWCCBEPMH-CQSZACIVSA-N 1 2 335.787 3.505 20 0 EHADLO COc1cccc(Cl)c1CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000153081856 1125431974 /nfs/dbraw/zinc/43/19/74/1125431974.db2.gz SRJPHAJKXXFWQU-UHFFFAOYSA-N 1 2 341.798 3.920 20 0 EHADLO CC(C)N(C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)C(C)C ZINC000070975151 1125451595 /nfs/dbraw/zinc/45/15/95/1125451595.db2.gz WQPHEZRKXYZQHI-UHFFFAOYSA-N 1 2 344.455 3.633 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)C(C)C ZINC000070975151 1125451598 /nfs/dbraw/zinc/45/15/98/1125451598.db2.gz WQPHEZRKXYZQHI-UHFFFAOYSA-N 1 2 344.455 3.633 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682518255 1129222079 /nfs/dbraw/zinc/22/20/79/1129222079.db2.gz JBZRXSOVTHYRPL-RTBURBONSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)s1 ZINC000067523380 1129282118 /nfs/dbraw/zinc/28/21/18/1129282118.db2.gz MSNJAATXJOHIAK-UHFFFAOYSA-N 1 2 329.400 3.620 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CSc3ccccc32)n1 ZINC000735653034 1131369421 /nfs/dbraw/zinc/36/94/21/1131369421.db2.gz XFQNSOMILJUSSV-CQSZACIVSA-N 1 2 347.509 3.813 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1Cl ZINC000922217550 1129369731 /nfs/dbraw/zinc/36/97/31/1129369731.db2.gz NREXLNRFJDSATG-CYBMUJFWSA-N 1 2 337.826 3.913 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc(Cl)c1Cl ZINC000922260666 1129408660 /nfs/dbraw/zinc/40/86/60/1129408660.db2.gz LHBZUASZZCYCHG-OAHLLOKOSA-N 1 2 340.254 3.738 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318366 1129413580 /nfs/dbraw/zinc/41/35/80/1129413580.db2.gz FEQSEUHCAPBHQV-WMZOPIPTSA-N 1 2 327.472 3.892 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117658532 1129458739 /nfs/dbraw/zinc/45/87/39/1129458739.db2.gz KOXBFOSVTMXREB-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCCCC2(C)C)c1C ZINC000466531722 1129517973 /nfs/dbraw/zinc/51/79/73/1129517973.db2.gz ZFIPUUKDTVTILI-MRXNPFEDSA-N 1 2 333.476 3.817 20 0 EHADLO CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccc[nH+]c2N)cc1 ZINC000922403904 1129523363 /nfs/dbraw/zinc/52/33/63/1129523363.db2.gz FDRMLMCPCUTEOW-KRWDZBQOSA-N 1 2 342.439 3.518 20 0 EHADLO c1sc(-c2ccccn2)nc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922467604 1129543693 /nfs/dbraw/zinc/54/36/93/1129543693.db2.gz YWZKTOLWQMBIKL-UHFFFAOYSA-N 1 2 336.464 3.769 20 0 EHADLO CCN(C(=O)C[NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000922475899 1129545819 /nfs/dbraw/zinc/54/58/19/1129545819.db2.gz ZKKJISKEVKMZGA-UHFFFAOYSA-N 1 2 331.485 3.583 20 0 EHADLO Cn1cc(-c2ccc(C[NH2+][C@H]3c4ccccc4OC[C@@H]3F)s2)cn1 ZINC000922521037 1129561065 /nfs/dbraw/zinc/56/10/65/1129561065.db2.gz RKUJKUCXOJFIIX-YJBOKZPZSA-N 1 2 343.427 3.710 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521675 1129561441 /nfs/dbraw/zinc/56/14/41/1129561441.db2.gz MEZASUMNDIYAOU-BOUXLOLZSA-N 1 2 345.414 3.662 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1OC1CC1 ZINC000922521694 1129561603 /nfs/dbraw/zinc/56/16/03/1129561603.db2.gz MIMXYBMXHFPQQT-UZLBHIALSA-N 1 2 343.398 3.798 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000499968518 1129599523 /nfs/dbraw/zinc/59/95/23/1129599523.db2.gz ZCUJJQWVIIJDHP-OAHLLOKOSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCCCOCC(F)(F)F)c2c1 ZINC000508995027 1129627812 /nfs/dbraw/zinc/62/78/12/1129627812.db2.gz KCFXYZNIRQQWDE-UHFFFAOYSA-N 1 2 329.318 3.900 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccccc2OCC2CC2)CC[S@]1=O ZINC000347736630 1129670802 /nfs/dbraw/zinc/67/08/02/1129670802.db2.gz ROAYYOABFDQEII-HSZRJFAPSA-N 1 2 335.513 3.599 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccccc2OCC2CC2)CC[S@]1=O ZINC000347736630 1129670806 /nfs/dbraw/zinc/67/08/06/1129670806.db2.gz ROAYYOABFDQEII-HSZRJFAPSA-N 1 2 335.513 3.599 20 0 EHADLO CC(C)(CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1=CCCC1 ZINC000922801468 1129672576 /nfs/dbraw/zinc/67/25/76/1129672576.db2.gz GNHNNZNAGIKCGB-UHFFFAOYSA-N 1 2 342.487 3.804 20 0 EHADLO CC[C@@H](C)[C@H]([NH2+]Cc1oncc1C(=O)OC)c1ccc(Cl)cc1 ZINC000509033919 1129678379 /nfs/dbraw/zinc/67/83/79/1129678379.db2.gz RREALLCZLORCIT-BZNIZROVSA-N 1 2 336.819 3.992 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625194891 1129757989 /nfs/dbraw/zinc/75/79/89/1129757989.db2.gz KUVRSQXELVVQNQ-GFCCVEGCSA-N 1 2 343.814 3.758 20 0 EHADLO O=C(c1csc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625194174 1129758135 /nfs/dbraw/zinc/75/81/35/1129758135.db2.gz GWOOVKXKPZLLCI-VIFPVBQESA-N 1 2 329.347 3.510 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625240630 1129781140 /nfs/dbraw/zinc/78/11/40/1129781140.db2.gz HROFVYGQNIQGPJ-HNNXBMFYSA-N 1 2 343.814 3.689 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H](c3ccccc3)C(C)C)[nH+]c12 ZINC000673725212 1129812421 /nfs/dbraw/zinc/81/24/21/1129812421.db2.gz SSEXHBGWNZQABD-IBGZPJMESA-N 1 2 335.451 3.741 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000028730926 1129822061 /nfs/dbraw/zinc/82/20/61/1129822061.db2.gz WGFKESPNYMOIPV-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000028730926 1129822063 /nfs/dbraw/zinc/82/20/63/1129822063.db2.gz WGFKESPNYMOIPV-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(Cl)c3)[nH+]c12 ZINC000673757577 1129831699 /nfs/dbraw/zinc/83/16/99/1129831699.db2.gz DZSNWXBDKJKGEV-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000766028228 1129834464 /nfs/dbraw/zinc/83/44/64/1129834464.db2.gz CBSXLQINDIOAKI-AWEZNQCLSA-N 1 2 349.862 3.701 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000766028228 1129834470 /nfs/dbraw/zinc/83/44/70/1129834470.db2.gz CBSXLQINDIOAKI-AWEZNQCLSA-N 1 2 349.862 3.701 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000429136753 1129850401 /nfs/dbraw/zinc/85/04/01/1129850401.db2.gz AJNVKSVSHMUONT-OAHLLOKOSA-N 1 2 344.434 3.779 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000132085908 1129875272 /nfs/dbraw/zinc/87/52/72/1129875272.db2.gz FIENCODWFOHMAL-KRWDZBQOSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000073984625 1129884685 /nfs/dbraw/zinc/88/46/85/1129884685.db2.gz HZWGXZJRTFJTOU-JTQLQIEISA-N 1 2 325.359 3.819 20 0 EHADLO COc1ccccc1C1([NH2+]Cc2ccncc2Br)CC1 ZINC000625505357 1129908261 /nfs/dbraw/zinc/90/82/61/1129908261.db2.gz AKDFQFMUTXXBHF-UHFFFAOYSA-N 1 2 333.229 3.632 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000543505914 1129908560 /nfs/dbraw/zinc/90/85/60/1129908560.db2.gz UOGWYGDISTYBOY-ZIAGYGMSSA-N 1 2 325.416 3.926 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455777629 1129921614 /nfs/dbraw/zinc/92/16/14/1129921614.db2.gz URSHOPDLHMFFFC-CYBMUJFWSA-N 1 2 348.397 3.943 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccs2)[C@H](C)C2CC2)c(OC)c1 ZINC000282495920 1129948082 /nfs/dbraw/zinc/94/80/82/1129948082.db2.gz QJEPYXLFRJFYRF-CYBMUJFWSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccs2)[C@H](C)C2CC2)c(OC)c1 ZINC000282495920 1129948086 /nfs/dbraw/zinc/94/80/86/1129948086.db2.gz QJEPYXLFRJFYRF-CYBMUJFWSA-N 1 2 332.469 3.961 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010208 1129957977 /nfs/dbraw/zinc/95/79/77/1129957977.db2.gz PRSQJAWFHQUNLW-MOPGFXCFSA-N 1 2 342.414 3.998 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010208 1129957980 /nfs/dbraw/zinc/95/79/80/1129957980.db2.gz PRSQJAWFHQUNLW-MOPGFXCFSA-N 1 2 342.414 3.998 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429201952 1129966578 /nfs/dbraw/zinc/96/65/78/1129966578.db2.gz JXPHHCFYXDIMME-GOSISDBHSA-N 1 2 346.434 3.610 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+](Cc3nnc4n3CCCCC4)C2)cc1F ZINC000625655429 1129966599 /nfs/dbraw/zinc/96/65/99/1129966599.db2.gz NEIPKGOERZSBAL-HNNXBMFYSA-N 1 2 346.425 3.662 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+](Cc3nnc4n3CCCCC4)C2)cc1F ZINC000625655429 1129966601 /nfs/dbraw/zinc/96/66/01/1129966601.db2.gz NEIPKGOERZSBAL-HNNXBMFYSA-N 1 2 346.425 3.662 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657022 1129970575 /nfs/dbraw/zinc/97/05/75/1129970575.db2.gz SGFQAJUHGRRTOV-KSSFIOAISA-N 1 2 348.368 3.510 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657022 1129970578 /nfs/dbraw/zinc/97/05/78/1129970578.db2.gz SGFQAJUHGRRTOV-KSSFIOAISA-N 1 2 348.368 3.510 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@]1(C)CCCc2ccccc21 ZINC000509212889 1129981516 /nfs/dbraw/zinc/98/15/16/1129981516.db2.gz RYEJFAPZAPICMN-CDMIOBSGSA-N 1 2 349.478 3.522 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccccc1F ZINC000059389762 1129985557 /nfs/dbraw/zinc/98/55/57/1129985557.db2.gz SKYWRBCPBQAHCW-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000059389762 1129985561 /nfs/dbraw/zinc/98/55/61/1129985561.db2.gz SKYWRBCPBQAHCW-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000674097741 1130002855 /nfs/dbraw/zinc/00/28/55/1130002855.db2.gz NGPOSJKWEFLZOY-YJBOKZPZSA-N 1 2 325.456 3.646 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)(C)C)c(C)c1 ZINC000509219798 1130005862 /nfs/dbraw/zinc/00/58/62/1130005862.db2.gz NHWPIUIADBFQDE-GOSISDBHSA-N 1 2 342.487 3.929 20 0 EHADLO Cc1[nH]c(=O)c(C(=O)Nc2ccc3[nH+]ccn3c2)cc1-c1ccccc1 ZINC000674242786 1130036115 /nfs/dbraw/zinc/03/61/15/1130036115.db2.gz UXBGANYVDGEIGP-UHFFFAOYSA-N 1 2 344.374 3.663 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674316459 1130060868 /nfs/dbraw/zinc/06/08/68/1130060868.db2.gz HXGQFSUDLDUCRX-MRXNPFEDSA-N 1 2 327.428 3.538 20 0 EHADLO Fc1cc(Br)ccc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322002 1130065148 /nfs/dbraw/zinc/06/51/48/1130065148.db2.gz GISDPTNUGRYZPG-AWEZNQCLSA-N 1 2 338.224 3.622 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000429233752 1130147427 /nfs/dbraw/zinc/14/74/27/1130147427.db2.gz FQMYOKUKOKFIFY-CQSZACIVSA-N 1 2 341.386 3.784 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000429233752 1130147432 /nfs/dbraw/zinc/14/74/32/1130147432.db2.gz FQMYOKUKOKFIFY-CQSZACIVSA-N 1 2 341.386 3.784 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000674686521 1130172722 /nfs/dbraw/zinc/17/27/22/1130172722.db2.gz RXIQYJVXKFZEGW-UTCJRWHESA-N 1 2 333.435 3.713 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC001128940357 1130243964 /nfs/dbraw/zinc/24/39/64/1130243964.db2.gz VZTMETAXDXYLIJ-FUHWJXTLSA-N 1 2 340.423 3.749 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000675255333 1130298701 /nfs/dbraw/zinc/29/87/01/1130298701.db2.gz LNTMLEVXITYKAD-DOMZBBRYSA-N 1 2 343.427 3.960 20 0 EHADLO c1cn(Cc2nc(-c3cccc(OCc4ccccc4)c3)no2)c[nH+]1 ZINC001212536700 1130322654 /nfs/dbraw/zinc/32/26/54/1130322654.db2.gz XRRLXYHPPCBVFK-UHFFFAOYSA-N 1 2 332.363 3.560 20 0 EHADLO Cc1nc(N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c(C)c(C)[nH+]1 ZINC000675548258 1130426249 /nfs/dbraw/zinc/42/62/49/1130426249.db2.gz JZFAJULTUDHXGL-AWEZNQCLSA-N 1 2 336.483 3.822 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(CC(C)C)CC(C)(C)C)[nH+]c12 ZINC000675577072 1130427795 /nfs/dbraw/zinc/42/77/95/1130427795.db2.gz VQDAUMKVBMZUOW-UHFFFAOYSA-N 1 2 344.503 3.899 20 0 EHADLO Cc1ccc(Br)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000675637628 1130442620 /nfs/dbraw/zinc/44/26/20/1130442620.db2.gz SNZDAPLFAIEBBN-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO COc1cncc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000675899286 1130499235 /nfs/dbraw/zinc/49/92/35/1130499235.db2.gz OMDMRCWDKPWILS-PHIMTYICSA-N 1 2 342.283 3.653 20 0 EHADLO COc1cncc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000675899286 1130499237 /nfs/dbraw/zinc/49/92/37/1130499237.db2.gz OMDMRCWDKPWILS-PHIMTYICSA-N 1 2 342.283 3.653 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3OCCc4ccccc43)ccc21 ZINC001129119972 1130506594 /nfs/dbraw/zinc/50/65/94/1130506594.db2.gz ICYHAHLENVTWSW-IBGZPJMESA-N 1 2 347.418 3.553 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CCOC(C)(C)C)c(C)n1Cc1ccco1 ZINC000676041918 1130521064 /nfs/dbraw/zinc/52/10/64/1130521064.db2.gz PZSJESFZEPVEFB-UHFFFAOYSA-N 1 2 346.471 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CCOC(C)(C)C)c(C)n1Cc1ccco1 ZINC000676041918 1130521070 /nfs/dbraw/zinc/52/10/70/1130521070.db2.gz PZSJESFZEPVEFB-UHFFFAOYSA-N 1 2 346.471 3.676 20 0 EHADLO CCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676135487 1130534683 /nfs/dbraw/zinc/53/46/83/1130534683.db2.gz FXTSGJIUAHVGHN-BMGDILEWSA-N 1 2 326.444 3.600 20 0 EHADLO c1nnn(-c2ccccc2)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000676165811 1130541647 /nfs/dbraw/zinc/54/16/47/1130541647.db2.gz AVXYCHKQULXJTH-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO c1nnn(-c2ccccc2)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000676165811 1130541650 /nfs/dbraw/zinc/54/16/50/1130541650.db2.gz AVXYCHKQULXJTH-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO CC(C)C(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000676262659 1130552617 /nfs/dbraw/zinc/55/26/17/1130552617.db2.gz JITUXKMYEFLIEJ-UHFFFAOYSA-N 1 2 344.459 3.764 20 0 EHADLO CC(C)C(NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000676298492 1130558366 /nfs/dbraw/zinc/55/83/66/1130558366.db2.gz YKQMLQRTKPFMOD-QGZVFWFLSA-N 1 2 342.487 3.684 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)on2)cc1 ZINC000535282322 1130589541 /nfs/dbraw/zinc/58/95/41/1130589541.db2.gz UCXCHKOCWBKJNY-LJQANCHMSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)on2)cc1 ZINC000535282322 1130589544 /nfs/dbraw/zinc/58/95/44/1130589544.db2.gz UCXCHKOCWBKJNY-LJQANCHMSA-N 1 2 347.418 3.567 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@H+](Cc3ccccc3)C3CC3)C2=O)CC1 ZINC000727816261 1130596223 /nfs/dbraw/zinc/59/62/23/1130596223.db2.gz DBZYOQIJJWHXQX-UHFFFAOYSA-N 1 2 340.467 3.564 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@@H+](Cc3ccccc3)C3CC3)C2=O)CC1 ZINC000727816261 1130596227 /nfs/dbraw/zinc/59/62/27/1130596227.db2.gz DBZYOQIJJWHXQX-UHFFFAOYSA-N 1 2 340.467 3.564 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000727824838 1130597601 /nfs/dbraw/zinc/59/76/01/1130597601.db2.gz UBZOAJWAMWRMAI-CQSZACIVSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000727824838 1130597603 /nfs/dbraw/zinc/59/76/03/1130597603.db2.gz UBZOAJWAMWRMAI-CQSZACIVSA-N 1 2 333.457 3.637 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@@H]2CC)nc1-c1ccncc1 ZINC000727822931 1130600656 /nfs/dbraw/zinc/60/06/56/1130600656.db2.gz FNFMDCHOSDPHBT-HNNXBMFYSA-N 1 2 331.489 3.718 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@@H]2CC)nc1-c1ccncc1 ZINC000727822931 1130600663 /nfs/dbraw/zinc/60/06/63/1130600663.db2.gz FNFMDCHOSDPHBT-HNNXBMFYSA-N 1 2 331.489 3.718 20 0 EHADLO CC[C@@H](C)Sc1ccc(NC(=O)NCc2c[nH+]cn2C)c(C)c1 ZINC000290138637 1130635516 /nfs/dbraw/zinc/63/55/16/1130635516.db2.gz FZXKQASMPVCWPJ-CYBMUJFWSA-N 1 2 332.473 3.941 20 0 EHADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1c[nH+]cn1C ZINC000291183687 1130636829 /nfs/dbraw/zinc/63/68/29/1130636829.db2.gz CDZJCXRPGDTIJC-SECBINFHSA-N 1 2 344.267 3.524 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC000497570638 1130639787 /nfs/dbraw/zinc/63/97/87/1130639787.db2.gz GJXCPFMEXZSVPL-ZDUSSCGKSA-N 1 2 340.254 3.787 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC000497570638 1130639790 /nfs/dbraw/zinc/63/97/90/1130639790.db2.gz GJXCPFMEXZSVPL-ZDUSSCGKSA-N 1 2 340.254 3.787 20 0 EHADLO CCCn1c2ccccc2n(C[N@@H+]2CCCc3sccc3C2)c1=O ZINC000730455494 1130712402 /nfs/dbraw/zinc/71/24/02/1130712402.db2.gz UDWLENIBVNPBHJ-UHFFFAOYSA-N 1 2 341.480 3.680 20 0 EHADLO CCCn1c2ccccc2n(C[N@H+]2CCCc3sccc3C2)c1=O ZINC000730455494 1130712406 /nfs/dbraw/zinc/71/24/06/1130712406.db2.gz UDWLENIBVNPBHJ-UHFFFAOYSA-N 1 2 341.480 3.680 20 0 EHADLO COc1ccc(-c2nc(CO[NH+]=C(N)Cc3cccs3)co2)cc1 ZINC000731029606 1130761988 /nfs/dbraw/zinc/76/19/88/1130761988.db2.gz YSEWNKDLNOPVKQ-UHFFFAOYSA-N 1 2 343.408 3.653 20 0 EHADLO CCC[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(OC)cc1 ZINC000731031384 1130762131 /nfs/dbraw/zinc/76/21/31/1130762131.db2.gz SZLNKQIHWQNYBB-UHFFFAOYSA-N 1 2 327.424 3.651 20 0 EHADLO CCC[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(OC)cc1 ZINC000731031384 1130762135 /nfs/dbraw/zinc/76/21/35/1130762135.db2.gz SZLNKQIHWQNYBB-UHFFFAOYSA-N 1 2 327.424 3.651 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(=S)s1 ZINC000731205785 1130778818 /nfs/dbraw/zinc/77/88/18/1130778818.db2.gz COXAPGHIZPKCSZ-OAHLLOKOSA-N 1 2 348.541 3.967 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c(=S)s1 ZINC000731205785 1130778822 /nfs/dbraw/zinc/77/88/22/1130778822.db2.gz COXAPGHIZPKCSZ-OAHLLOKOSA-N 1 2 348.541 3.967 20 0 EHADLO c1[nH]cc([C@H]2C[C@@H]2c2nc(-c3ccc(N4CCCCC4)cc3)no2)[nH+]1 ZINC000820414148 1130869727 /nfs/dbraw/zinc/86/97/27/1130869727.db2.gz JBYBSDYRHYSFHP-HOTGVXAUSA-N 1 2 335.411 3.721 20 0 EHADLO CCC/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138073 1130889644 /nfs/dbraw/zinc/88/96/44/1130889644.db2.gz LRUXUXAIUPTQPO-HQQUCIOCSA-N 1 2 338.854 3.916 20 0 EHADLO CCC/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138073 1130889651 /nfs/dbraw/zinc/88/96/51/1130889651.db2.gz LRUXUXAIUPTQPO-HQQUCIOCSA-N 1 2 338.854 3.916 20 0 EHADLO CCC/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138075 1130889674 /nfs/dbraw/zinc/88/96/74/1130889674.db2.gz LRUXUXAIUPTQPO-OUOZUETKSA-N 1 2 338.854 3.916 20 0 EHADLO CCC/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138075 1130889683 /nfs/dbraw/zinc/88/96/83/1130889683.db2.gz LRUXUXAIUPTQPO-OUOZUETKSA-N 1 2 338.854 3.916 20 0 EHADLO C/C=C/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135098 1130890164 /nfs/dbraw/zinc/89/01/64/1130890164.db2.gz LBSZUBBUDFGEQC-NUJVXMLLSA-N 1 2 336.838 3.692 20 0 EHADLO C/C=C/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135098 1130890171 /nfs/dbraw/zinc/89/01/71/1130890171.db2.gz LBSZUBBUDFGEQC-NUJVXMLLSA-N 1 2 336.838 3.692 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000732187691 1130892251 /nfs/dbraw/zinc/89/22/51/1130892251.db2.gz YMRGEONODWSIRJ-LBPRGKRZSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000732187691 1130892256 /nfs/dbraw/zinc/89/22/56/1130892256.db2.gz YMRGEONODWSIRJ-LBPRGKRZSA-N 1 2 340.652 3.746 20 0 EHADLO CC[C@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@H](C)O1 ZINC000732186352 1130896204 /nfs/dbraw/zinc/89/62/04/1130896204.db2.gz SQXLYLNDQMXPJM-RYUDHWBXSA-N 1 2 341.427 3.808 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@H](C)O1 ZINC000732186352 1130896208 /nfs/dbraw/zinc/89/62/08/1130896208.db2.gz SQXLYLNDQMXPJM-RYUDHWBXSA-N 1 2 341.427 3.808 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)oc1C ZINC000732209547 1130897433 /nfs/dbraw/zinc/89/74/33/1130897433.db2.gz MPHHRHUTGBUQCL-PJIJBLCYSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)oc1C ZINC000732209547 1130897438 /nfs/dbraw/zinc/89/74/38/1130897438.db2.gz MPHHRHUTGBUQCL-PJIJBLCYSA-N 1 2 343.423 3.725 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000732984820 1130977936 /nfs/dbraw/zinc/97/79/36/1130977936.db2.gz BUVWVSNAJOGMRR-GOSISDBHSA-N 1 2 336.426 3.798 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000732984820 1130977940 /nfs/dbraw/zinc/97/79/40/1130977940.db2.gz BUVWVSNAJOGMRR-GOSISDBHSA-N 1 2 336.426 3.798 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1SC(F)(F)F ZINC000733167096 1131003067 /nfs/dbraw/zinc/00/30/67/1131003067.db2.gz TYEYEDFVSYQJDO-UHFFFAOYSA-N 1 2 343.374 3.705 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)c1c(C)nn(C)c1C ZINC000347949048 1131101261 /nfs/dbraw/zinc/10/12/61/1131101261.db2.gz APNGHLYOJZWOPD-CZUORRHYSA-N 1 2 339.443 3.889 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000626093220 1131153476 /nfs/dbraw/zinc/15/34/76/1131153476.db2.gz UXTKSPLVVDDQRE-FZKQIMNGSA-N 1 2 338.455 3.689 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2nonc2C)cc1OC ZINC000734148024 1131204320 /nfs/dbraw/zinc/20/43/20/1131204320.db2.gz PXFFCHVLSLOTRV-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nonc2C)cc1OC ZINC000734148024 1131204324 /nfs/dbraw/zinc/20/43/24/1131204324.db2.gz PXFFCHVLSLOTRV-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000734145029 1131204374 /nfs/dbraw/zinc/20/43/74/1131204374.db2.gz IUWBQDSIUJMTBN-INIZCTEOSA-N 1 2 345.516 3.537 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000734145029 1131204381 /nfs/dbraw/zinc/20/43/81/1131204381.db2.gz IUWBQDSIUJMTBN-INIZCTEOSA-N 1 2 345.516 3.537 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597622 1131427524 /nfs/dbraw/zinc/42/75/24/1131427524.db2.gz ZTUFDHICSRIRIW-JSGCOSHPSA-N 1 2 349.479 3.539 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597622 1131427526 /nfs/dbraw/zinc/42/75/26/1131427526.db2.gz ZTUFDHICSRIRIW-JSGCOSHPSA-N 1 2 349.479 3.539 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057129 1131462235 /nfs/dbraw/zinc/46/22/35/1131462235.db2.gz RITUZEFIOOFQGV-HUUCEWRRSA-N 1 2 345.516 3.708 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057129 1131462236 /nfs/dbraw/zinc/46/22/36/1131462236.db2.gz RITUZEFIOOFQGV-HUUCEWRRSA-N 1 2 345.516 3.708 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000739473317 1131504352 /nfs/dbraw/zinc/50/43/52/1131504352.db2.gz LQUBQFRHFJQMHA-GOSISDBHSA-N 1 2 341.451 3.995 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)c1nccs1 ZINC000740014905 1131520174 /nfs/dbraw/zinc/52/01/74/1131520174.db2.gz ZLJFEENZPFKORQ-INIZCTEOSA-N 1 2 349.891 3.802 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000766251760 1131528086 /nfs/dbraw/zinc/52/80/86/1131528086.db2.gz YDGTXDBXMVFOGJ-UHFFFAOYSA-N 1 2 340.814 3.949 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000766251760 1131528089 /nfs/dbraw/zinc/52/80/89/1131528089.db2.gz YDGTXDBXMVFOGJ-UHFFFAOYSA-N 1 2 340.814 3.949 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000740853494 1131548655 /nfs/dbraw/zinc/54/86/55/1131548655.db2.gz BFROLXAMZVWDOY-MAUKXSAKSA-N 1 2 334.485 3.654 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000740853494 1131548658 /nfs/dbraw/zinc/54/86/58/1131548658.db2.gz BFROLXAMZVWDOY-MAUKXSAKSA-N 1 2 334.485 3.654 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860520 1131549230 /nfs/dbraw/zinc/54/92/30/1131549230.db2.gz QCDJRSCKADTMGS-VXGBXAGGSA-N 1 2 349.456 3.578 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860520 1131549233 /nfs/dbraw/zinc/54/92/33/1131549233.db2.gz QCDJRSCKADTMGS-VXGBXAGGSA-N 1 2 349.456 3.578 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(Br)s2)cc1F ZINC000714013692 1131588694 /nfs/dbraw/zinc/58/86/94/1131588694.db2.gz FKAQAHGHYHABQK-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO O=C(OCc1ccc(Cl)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350904 1131597833 /nfs/dbraw/zinc/59/78/33/1131597833.db2.gz IVHYOXGGNIYZJQ-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1ccc(Cl)nc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350904 1131597837 /nfs/dbraw/zinc/59/78/37/1131597837.db2.gz IVHYOXGGNIYZJQ-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO CCCCNC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741875084 1131662918 /nfs/dbraw/zinc/66/29/18/1131662918.db2.gz LJSSJODPIIKDQG-AWEZNQCLSA-N 1 2 339.936 3.693 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(-c2cc(F)cc(F)c2)[nH]c1=S ZINC000742145490 1131690455 /nfs/dbraw/zinc/69/04/55/1131690455.db2.gz WDHQKGSTIWMCQQ-UHFFFAOYSA-N 1 2 326.416 3.965 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(-c2cc(F)cc(F)c2)[nH]c1=S ZINC000742145490 1131690459 /nfs/dbraw/zinc/69/04/59/1131690459.db2.gz WDHQKGSTIWMCQQ-UHFFFAOYSA-N 1 2 326.416 3.965 20 0 EHADLO O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc2[nH+]ccn21 ZINC000742189947 1131696084 /nfs/dbraw/zinc/69/60/84/1131696084.db2.gz NANUQAIFKJYQBD-CMDGGOBGSA-N 1 2 347.296 3.885 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742196267 1131696210 /nfs/dbraw/zinc/69/62/10/1131696210.db2.gz VWQKBRBAJDRJAY-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742196267 1131696212 /nfs/dbraw/zinc/69/62/12/1131696212.db2.gz VWQKBRBAJDRJAY-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000742369726 1131716094 /nfs/dbraw/zinc/71/60/94/1131716094.db2.gz PGQQXYVDCMGMEG-VIFPVBQESA-N 1 2 342.367 3.632 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnccc3-c3ccccc3)cc2)C1 ZINC001212665382 1131757870 /nfs/dbraw/zinc/75/78/70/1131757870.db2.gz LHBJUZPXGOBWFH-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(OC3CCC3)cc2)c1C ZINC000742600185 1131758455 /nfs/dbraw/zinc/75/84/55/1131758455.db2.gz SWELVPYJSRTSAX-UHFFFAOYSA-N 1 2 340.423 3.568 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3-c3cccnc3)cc2)C1 ZINC001212672367 1131789630 /nfs/dbraw/zinc/78/96/30/1131789630.db2.gz KYJOREUFCISJJC-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710003 1131832500 /nfs/dbraw/zinc/83/25/00/1131832500.db2.gz ACZBIYFMGDDOSR-UYAOXDASSA-N 1 2 343.854 3.571 20 0 EHADLO C[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1(F)F ZINC001172813917 1131850075 /nfs/dbraw/zinc/85/00/75/1131850075.db2.gz QQYUCGBEXROZKZ-JKXDFHQYSA-N 1 2 342.430 3.670 20 0 EHADLO C[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1(F)F ZINC001172813917 1131850079 /nfs/dbraw/zinc/85/00/79/1131850079.db2.gz QQYUCGBEXROZKZ-JKXDFHQYSA-N 1 2 342.430 3.670 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2c(F)cccc2Cl)CCCCC1 ZINC001172836885 1131859079 /nfs/dbraw/zinc/85/90/79/1131859079.db2.gz JDZHPCDAZFRTEB-GFCCVEGCSA-N 1 2 327.827 3.876 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371812 1131904206 /nfs/dbraw/zinc/90/42/06/1131904206.db2.gz COATXIRVGSTJEJ-KUHUBIRLSA-N 1 2 339.414 3.520 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371812 1131904211 /nfs/dbraw/zinc/90/42/11/1131904211.db2.gz COATXIRVGSTJEJ-KUHUBIRLSA-N 1 2 339.414 3.520 20 0 EHADLO CCOc1ccc(C[N@H+](C)CN2C(=O)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000743347303 1131905262 /nfs/dbraw/zinc/90/52/62/1131905262.db2.gz NIPMCVONJOIHIP-UZLBHIALSA-N 1 2 338.451 3.694 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CN2C(=O)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000743347303 1131905269 /nfs/dbraw/zinc/90/52/69/1131905269.db2.gz NIPMCVONJOIHIP-UZLBHIALSA-N 1 2 338.451 3.694 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000743347602 1131905918 /nfs/dbraw/zinc/90/59/18/1131905918.db2.gz DBNOGSMTLSGLDE-MGPUTAFESA-N 1 2 338.426 3.967 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000743347602 1131905925 /nfs/dbraw/zinc/90/59/25/1131905925.db2.gz DBNOGSMTLSGLDE-MGPUTAFESA-N 1 2 338.426 3.967 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000743349847 1131906084 /nfs/dbraw/zinc/90/60/84/1131906084.db2.gz WNGJVAJJYYRDLY-AWEZNQCLSA-N 1 2 344.377 3.623 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000743349847 1131906089 /nfs/dbraw/zinc/90/60/89/1131906089.db2.gz WNGJVAJJYYRDLY-AWEZNQCLSA-N 1 2 344.377 3.623 20 0 EHADLO CCOC(=O)c1nc(C)sc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693167 1131906455 /nfs/dbraw/zinc/90/64/55/1131906455.db2.gz HDMWAFOSDQUWLU-UHFFFAOYSA-N 1 2 342.424 3.617 20 0 EHADLO CO[C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001172924902 1131906763 /nfs/dbraw/zinc/90/67/63/1131906763.db2.gz ZKXDRMIZXBOAAZ-OTWHNJEPSA-N 1 2 347.499 3.877 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000743350667 1131907118 /nfs/dbraw/zinc/90/71/18/1131907118.db2.gz LGROBXJHKAHUTP-ZDUSSCGKSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000743350667 1131907121 /nfs/dbraw/zinc/90/71/21/1131907121.db2.gz LGROBXJHKAHUTP-ZDUSSCGKSA-N 1 2 328.378 3.743 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743404800 1131917259 /nfs/dbraw/zinc/91/72/59/1131917259.db2.gz CYNBSINDEXCIGW-UHFFFAOYSA-N 1 2 347.509 3.801 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743404800 1131917265 /nfs/dbraw/zinc/91/72/65/1131917265.db2.gz CYNBSINDEXCIGW-UHFFFAOYSA-N 1 2 347.509 3.801 20 0 EHADLO FC(F)(F)Oc1cccnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694255 1131922811 /nfs/dbraw/zinc/92/28/11/1131922811.db2.gz QUGLJADAENTEDD-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO COc1ccc2c(c1Nc1ccc(Cn3cc[nH+]c3)cc1)C(=O)CC2 ZINC001212698417 1131937604 /nfs/dbraw/zinc/93/76/04/1131937604.db2.gz RYNWWNWSMMAWFG-UHFFFAOYSA-N 1 2 333.391 3.813 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)CCO1 ZINC000743840678 1131982838 /nfs/dbraw/zinc/98/28/38/1131982838.db2.gz QILJKFGFAVHBKM-GFCCVEGCSA-N 1 2 335.391 3.918 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)CCO1 ZINC000743840678 1131982844 /nfs/dbraw/zinc/98/28/44/1131982844.db2.gz QILJKFGFAVHBKM-GFCCVEGCSA-N 1 2 335.391 3.918 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+]C(C)(C)c3ccc(F)cc3)o2)cc1 ZINC000744394735 1132084292 /nfs/dbraw/zinc/08/42/92/1132084292.db2.gz JABVQPKZHMXIAY-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000744435521 1132092332 /nfs/dbraw/zinc/09/23/32/1132092332.db2.gz WVJRLQBBDPGGCG-FUHWJXTLSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000744435521 1132092340 /nfs/dbraw/zinc/09/23/40/1132092340.db2.gz WVJRLQBBDPGGCG-FUHWJXTLSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000744437075 1132094063 /nfs/dbraw/zinc/09/40/63/1132094063.db2.gz FEWFYVADIUZDQH-OAHLLOKOSA-N 1 2 330.501 3.944 20 0 EHADLO CC(C)C[C@H]1CC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000744437075 1132094071 /nfs/dbraw/zinc/09/40/71/1132094071.db2.gz FEWFYVADIUZDQH-OAHLLOKOSA-N 1 2 330.501 3.944 20 0 EHADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(C4CC4)n3)ccc2NC1=O ZINC000744450187 1132102027 /nfs/dbraw/zinc/10/20/27/1132102027.db2.gz WDHUMPLUXNPHHL-MEDUHNTESA-N 1 2 341.411 3.512 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccoc2)C1 ZINC001173933912 1132189008 /nfs/dbraw/zinc/18/90/08/1132189008.db2.gz HJLUATBDCHFROA-CYBMUJFWSA-N 1 2 344.415 3.522 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745085656 1132190654 /nfs/dbraw/zinc/19/06/54/1132190654.db2.gz ALNDURPKZOCPKG-MRXNPFEDSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745085656 1132190657 /nfs/dbraw/zinc/19/06/57/1132190657.db2.gz ALNDURPKZOCPKG-MRXNPFEDSA-N 1 2 348.830 3.913 20 0 EHADLO CS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001173943340 1132191444 /nfs/dbraw/zinc/19/14/44/1132191444.db2.gz VWKVMMZBVNHLKE-UHFFFAOYSA-N 1 2 330.453 3.824 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3ccc4c(c3)CCO4)cn12 ZINC001174009224 1132202548 /nfs/dbraw/zinc/20/25/48/1132202548.db2.gz BQBVEBGVHTUERA-UHFFFAOYSA-N 1 2 330.185 3.775 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2c(c1)CCO2 ZINC001174010300 1132202953 /nfs/dbraw/zinc/20/29/53/1132202953.db2.gz BDBKVUAKAZUXJX-UHFFFAOYSA-N 1 2 336.395 3.517 20 0 EHADLO CC1(C)[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C[C@H]1c1ccccc1 ZINC000766329951 1132237416 /nfs/dbraw/zinc/23/74/16/1132237416.db2.gz FGOHIKQAUQANJJ-VQTJNVASSA-N 1 2 349.478 3.617 20 0 EHADLO Cn1c[nH+]c2cc(Nc3ccc(C(=O)NCc4ccco4)cc3)ccc21 ZINC001174157168 1132258963 /nfs/dbraw/zinc/25/89/63/1132258963.db2.gz ZHLKSOIJVQIZLB-UHFFFAOYSA-N 1 2 346.390 3.840 20 0 EHADLO CC1CCN(C(=O)c2ccc(Nc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001174161719 1132261735 /nfs/dbraw/zinc/26/17/35/1132261735.db2.gz LNRXWJYRFBLFKV-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001174186782 1132273701 /nfs/dbraw/zinc/27/37/01/1132273701.db2.gz OIKBZGZPMTVADW-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(Cl)nc3C(N)=O)ccc21 ZINC001174380336 1132343134 /nfs/dbraw/zinc/34/31/34/1132343134.db2.gz AWMAKTYGNNJLHL-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO COC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(O)c1 ZINC001174381734 1132343642 /nfs/dbraw/zinc/34/36/42/1132343642.db2.gz QTUHQCORXOPTAJ-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc(F)c1F ZINC001174435160 1132353898 /nfs/dbraw/zinc/35/38/98/1132353898.db2.gz ASGOLQUVZYBRBO-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO CCOC(=O)C(C)(C)Oc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174412819 1132367709 /nfs/dbraw/zinc/36/77/09/1132367709.db2.gz PCCCRQLMCSBAJM-UHFFFAOYSA-N 1 2 339.395 3.979 20 0 EHADLO O=c1[nH]cc(Nc2ccc([NH+]3CCCC3)cc2)cc1Br ZINC001174526065 1132383178 /nfs/dbraw/zinc/38/31/78/1132383178.db2.gz GAPNGCUQKICCMC-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CCOC(=O)c1cnc(C)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523715 1132400320 /nfs/dbraw/zinc/40/03/20/1132400320.db2.gz XOHFKUSJHLUGAT-UHFFFAOYSA-N 1 2 340.427 3.696 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(COCCc2ccccc2)c1 ZINC000192913944 1132477359 /nfs/dbraw/zinc/47/73/59/1132477359.db2.gz HPUVAUXOSZZMFB-UHFFFAOYSA-N 1 2 349.434 3.740 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(COCCc2ccccc2)c1 ZINC000192913944 1132477365 /nfs/dbraw/zinc/47/73/65/1132477365.db2.gz HPUVAUXOSZZMFB-UHFFFAOYSA-N 1 2 349.434 3.740 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000193202578 1132478976 /nfs/dbraw/zinc/47/89/76/1132478976.db2.gz KPWFRVCIBZFQMA-QMMMGPOBSA-N 1 2 330.190 3.666 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000193202578 1132478980 /nfs/dbraw/zinc/47/89/80/1132478980.db2.gz KPWFRVCIBZFQMA-QMMMGPOBSA-N 1 2 330.190 3.666 20 0 EHADLO c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cn2)cc1 ZINC001174972553 1132508826 /nfs/dbraw/zinc/50/88/26/1132508826.db2.gz AQSITFIXZFLXRG-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1nc2cc(Cl)c(Nc3ccc(N4CCOCC4)[nH+]c3)cc2o1 ZINC001174976406 1132509605 /nfs/dbraw/zinc/50/96/05/1132509605.db2.gz RAGJFJIMGCQTND-UHFFFAOYSA-N 1 2 344.802 3.765 20 0 EHADLO COc1cccc(F)c1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001174991165 1132523424 /nfs/dbraw/zinc/52/34/24/1132523424.db2.gz QDRDWCOSLBUGIK-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)[C@H]2CCCC[C@H]12 ZINC000766421545 1132535817 /nfs/dbraw/zinc/53/58/17/1132535817.db2.gz KGZBOSLSVTZEKG-FMKPAKJESA-N 1 2 327.476 3.986 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC001175063290 1132538959 /nfs/dbraw/zinc/53/89/59/1132538959.db2.gz XMHWLMHHSWPBCQ-HZPDHXFCSA-N 1 2 342.277 3.638 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@](C)(COC)C1 ZINC001175063290 1132538964 /nfs/dbraw/zinc/53/89/64/1132538964.db2.gz XMHWLMHHSWPBCQ-HZPDHXFCSA-N 1 2 342.277 3.638 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1cccc(O)c1 ZINC000746456992 1132540846 /nfs/dbraw/zinc/54/08/46/1132540846.db2.gz HPDSAFRXISFSRE-UHFFFAOYSA-N 1 2 326.440 3.760 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1cccc(O)c1 ZINC000746456992 1132540851 /nfs/dbraw/zinc/54/08/51/1132540851.db2.gz HPDSAFRXISFSRE-UHFFFAOYSA-N 1 2 326.440 3.760 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1COc2ccc(Cl)cc21 ZINC000766427258 1132540988 /nfs/dbraw/zinc/54/09/88/1132540988.db2.gz LDUOMICFBUHKHX-ZDUSSCGKSA-N 1 2 343.818 3.780 20 0 EHADLO CC(C)Oc1ccc[nH+]c1N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001168900661 1132592940 /nfs/dbraw/zinc/59/29/40/1132592940.db2.gz XPNDQZCQVDGTEW-QGZVFWFLSA-N 1 2 339.439 3.586 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000866981633 1132594734 /nfs/dbraw/zinc/59/47/34/1132594734.db2.gz DQRWCXQZKPAROW-RXVVDRJESA-N 1 2 339.483 3.641 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cnc(C(C)C)s1 ZINC000766522299 1132595986 /nfs/dbraw/zinc/59/59/86/1132595986.db2.gz ZANAYMDCPGVRFM-UHFFFAOYSA-N 1 2 330.457 3.875 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1scnc1Cl ZINC000766530464 1132598328 /nfs/dbraw/zinc/59/83/28/1132598328.db2.gz MHESAJRSUFZDRD-QWHCGFSZSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1scnc1Cl ZINC000766530464 1132598331 /nfs/dbraw/zinc/59/83/31/1132598331.db2.gz MHESAJRSUFZDRD-QWHCGFSZSA-N 1 2 349.887 3.532 20 0 EHADLO CC(C)c1cc(NCCC(=O)Nc2nccs2)nc(C(C)C)[nH+]1 ZINC001168912715 1132603475 /nfs/dbraw/zinc/60/34/75/1132603475.db2.gz LGUGNXJYPSRUPX-UHFFFAOYSA-N 1 2 333.461 3.621 20 0 EHADLO Fc1ncc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175345677 1132629056 /nfs/dbraw/zinc/62/90/56/1132629056.db2.gz CIOSBTFVWRCDDW-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO COc1c(F)cc(Br)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175346270 1132629566 /nfs/dbraw/zinc/62/95/66/1132629566.db2.gz PURUQVSJVCQLKM-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO CO[C@H]1CCOc2c(Nc3ccc(N4CCCC4)[nH+]c3)cccc21 ZINC001175349176 1132642845 /nfs/dbraw/zinc/64/28/45/1132642845.db2.gz LZCXAPAXBQNCOJ-KRWDZBQOSA-N 1 2 325.412 3.895 20 0 EHADLO COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cc(Br)n1 ZINC001175350390 1132646003 /nfs/dbraw/zinc/64/60/03/1132646003.db2.gz IKFZOMYEFCJIFL-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1c2c[nH]nc2ccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001175467702 1132674702 /nfs/dbraw/zinc/67/47/02/1132674702.db2.gz DKCRYHXJFKVBJI-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO CSc1cc(NCc2cc(C)c(Br)cn2)nc(C)[nH+]1 ZINC001169195325 1132689399 /nfs/dbraw/zinc/68/93/99/1132689399.db2.gz GVNWINAGEAWCCW-UHFFFAOYSA-N 1 2 339.262 3.585 20 0 EHADLO COC(=O)c1ccc(Cl)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175712983 1132740353 /nfs/dbraw/zinc/74/03/53/1132740353.db2.gz WJGVKVYJQBWFPM-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cncc(-c3ccccn3)c2)c[nH+]1 ZINC001175712575 1132740843 /nfs/dbraw/zinc/74/08/43/1132740843.db2.gz OTEJJDLQRQFPIV-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO Nc1ccc(Br)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175714204 1132741739 /nfs/dbraw/zinc/74/17/39/1132741739.db2.gz TZLZCYIHCCNJRE-UHFFFAOYSA-N 1 2 347.138 3.771 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C ZINC001175717822 1132742543 /nfs/dbraw/zinc/74/25/43/1132742543.db2.gz RNWUDNZDYYKQBM-UHFFFAOYSA-N 1 2 339.317 3.946 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2c(O)cccc2Br)c[nH+]1 ZINC001175717863 1132742562 /nfs/dbraw/zinc/74/25/62/1132742562.db2.gz UNHIUTQHNDDDQF-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO Cc1[nH]c(=O)c(CNc2ccc(-n3cccc3)c[nH+]2)c2c1CCCC2 ZINC001169400803 1132747912 /nfs/dbraw/zinc/74/79/12/1132747912.db2.gz GINWZWULTSXFIY-UHFFFAOYSA-N 1 2 334.423 3.772 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(Br)nc2)c[nH+]1 ZINC001175709477 1132755597 /nfs/dbraw/zinc/75/55/97/1132755597.db2.gz FBZBNCPWJLDUBF-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO CCOC(=O)[C@@H](Nc1cc[nH+]c(CC)c1)c1cccc2ccccc21 ZINC001169504033 1132772885 /nfs/dbraw/zinc/77/28/85/1132772885.db2.gz NCPHMHFTOCJELT-FQEVSTJZSA-N 1 2 334.419 3.935 20 0 EHADLO C[C@@H](CNc1cc[nH+]c(OCc2ccccn2)c1)c1ccc(O)cc1 ZINC001169542893 1132782328 /nfs/dbraw/zinc/78/23/28/1132782328.db2.gz KAUXZEPUMDOFOA-HNNXBMFYSA-N 1 2 335.407 3.977 20 0 EHADLO COc1ccc2[nH+]c(NCC(=O)N3CCc4ccccc43)c(C)cc2c1 ZINC001156352786 1132803391 /nfs/dbraw/zinc/80/33/91/1132803391.db2.gz ZKRWXBKAGCKVPO-UHFFFAOYSA-N 1 2 347.418 3.553 20 0 EHADLO CN(C)C(=O)c1ccc(F)c(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001176046425 1132827965 /nfs/dbraw/zinc/82/79/65/1132827965.db2.gz ZBEDNVRXVIACLC-UHFFFAOYSA-N 1 2 332.766 3.572 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2Cc2sncc2Br)[nH+]c1C ZINC001176076297 1132830077 /nfs/dbraw/zinc/83/00/77/1132830077.db2.gz CYBXJVYPCQVVIY-NSHDSACASA-N 1 2 341.278 3.583 20 0 EHADLO COc1cc(NC2=C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC001176088447 1132831823 /nfs/dbraw/zinc/83/18/23/1132831823.db2.gz JKJDLGFJOWPXSK-CVEARBPZSA-N 1 2 345.443 3.866 20 0 EHADLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC001176145054 1132845373 /nfs/dbraw/zinc/84/53/73/1132845373.db2.gz JMQHVAZMFQWHEK-NSHDSACASA-N 1 2 344.365 3.537 20 0 EHADLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC001176145054 1132845379 /nfs/dbraw/zinc/84/53/79/1132845379.db2.gz JMQHVAZMFQWHEK-NSHDSACASA-N 1 2 344.365 3.537 20 0 EHADLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001176145503 1132846168 /nfs/dbraw/zinc/84/61/68/1132846168.db2.gz LPPNDAFKEHCCQN-LBPRGKRZSA-N 1 2 342.830 3.913 20 0 EHADLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001176145503 1132846173 /nfs/dbraw/zinc/84/61/73/1132846173.db2.gz LPPNDAFKEHCCQN-LBPRGKRZSA-N 1 2 342.830 3.913 20 0 EHADLO CCOC(=O)c1sc2ncccc2c1Nc1c[nH+]ccc1OC ZINC001176119076 1132851690 /nfs/dbraw/zinc/85/16/90/1132851690.db2.gz UVVBLPBWFCYVJR-UHFFFAOYSA-N 1 2 329.381 3.620 20 0 EHADLO CCOC(=O)c1c(Nc2c[nH+]ccc2OC)sc2c1CCCC2=O ZINC001176117165 1132852476 /nfs/dbraw/zinc/85/24/76/1132852476.db2.gz UQQZLIDNZLMDLW-UHFFFAOYSA-N 1 2 346.408 3.591 20 0 EHADLO Cc1cn2cccc(Nc3cc(C(=O)N4CCCC4)ccc3F)c2[nH+]1 ZINC001176207332 1132873691 /nfs/dbraw/zinc/87/36/91/1132873691.db2.gz LELHCPDXSNEYNR-UHFFFAOYSA-N 1 2 338.386 3.761 20 0 EHADLO Fc1ccccc1COc1ccc[nH+]c1NCCc1cncs1 ZINC001169862697 1132883532 /nfs/dbraw/zinc/88/35/32/1132883532.db2.gz FZEOVCKFAYIFPW-UHFFFAOYSA-N 1 2 329.400 3.911 20 0 EHADLO CCOC(=O)c1cccc(CNc2cc(C)c(C(F)(F)F)c[nH+]2)n1 ZINC001169870482 1132886339 /nfs/dbraw/zinc/88/63/39/1132886339.db2.gz JQWJDEBRPWTIRR-UHFFFAOYSA-N 1 2 339.317 3.593 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000804349781 1132968637 /nfs/dbraw/zinc/96/86/37/1132968637.db2.gz JFTCHUWEPAOASC-RCCFBDPRSA-N 1 2 331.419 3.743 20 0 EHADLO C(=C/[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639318 1132974987 /nfs/dbraw/zinc/97/49/87/1132974987.db2.gz FWTKQWDIBVLLMW-AIGDTVQASA-N 1 2 330.435 3.945 20 0 EHADLO C(=C/[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639318 1132974993 /nfs/dbraw/zinc/97/49/93/1132974993.db2.gz FWTKQWDIBVLLMW-AIGDTVQASA-N 1 2 330.435 3.945 20 0 EHADLO COc1cc(Nc2cc(C(=O)N3CCCCC3)ccc2F)cc(C)[nH+]1 ZINC001176684361 1132982981 /nfs/dbraw/zinc/98/29/81/1132982981.db2.gz WUDOLQGGJSEJOD-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO CC(C)(C)OC(=O)N=C1C=C[N@@H+](c2cccc(C3CC3)c2)C=C1N ZINC001176724381 1132987683 /nfs/dbraw/zinc/98/76/83/1132987683.db2.gz YZNNFLBRBAQAOD-UHFFFAOYSA-N 1 2 325.412 3.773 20 0 EHADLO CC(C)(C)OC(=O)N=C1C=C[N@H+](c2cccc(C3CC3)c2)C=C1N ZINC001176724381 1132987688 /nfs/dbraw/zinc/98/76/88/1132987688.db2.gz YZNNFLBRBAQAOD-UHFFFAOYSA-N 1 2 325.412 3.773 20 0 EHADLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(S(C)(=O)=O)c(F)c1 ZINC001176740619 1132990419 /nfs/dbraw/zinc/99/04/19/1132990419.db2.gz CSGDCTJESUPBDB-UHFFFAOYSA-N 1 2 336.432 3.875 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)cnc1Br ZINC001176749359 1132991648 /nfs/dbraw/zinc/99/16/48/1132991648.db2.gz BBGJMJNCXHDAAG-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO C[C@@](CO)([NH2+]C/C(Cl)=C\Cl)c1cccc(Br)c1 ZINC001176818940 1133001380 /nfs/dbraw/zinc/00/13/80/1133001380.db2.gz GELOENAUXLVSBY-BCMYLCSRSA-N 1 2 339.060 3.565 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001176831171 1133004193 /nfs/dbraw/zinc/00/41/93/1133004193.db2.gz MWUPXWSCJIPTRV-HXUWFJFHSA-N 1 2 345.446 3.775 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1)C1CCC1 ZINC001204184459 1133025710 /nfs/dbraw/zinc/02/57/10/1133025710.db2.gz GVJTZJFYJZRVOQ-CQSZACIVSA-N 1 2 341.282 3.874 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1)C1CCC1 ZINC001204184459 1133025716 /nfs/dbraw/zinc/02/57/16/1133025716.db2.gz GVJTZJFYJZRVOQ-CQSZACIVSA-N 1 2 341.282 3.874 20 0 EHADLO Brc1ccc(C[NH+]2CC3(C2)CCCC3)c2nsnc21 ZINC001249710723 1133031816 /nfs/dbraw/zinc/03/18/16/1133031816.db2.gz PUXYHFWFQAPTDR-UHFFFAOYSA-N 1 2 338.274 3.830 20 0 EHADLO CCc1cccc(CC)c1NC(=S)N(C)CCCn1cc[nH+]c1 ZINC000767684031 1133039421 /nfs/dbraw/zinc/03/94/21/1133039421.db2.gz HQYHGUZDPLEQFG-UHFFFAOYSA-N 1 2 330.501 3.727 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)CCCCc1cccs1 ZINC001177490775 1133069886 /nfs/dbraw/zinc/06/98/86/1133069886.db2.gz YOIWCHSKJWWDFA-UHFFFAOYSA-N 1 2 337.514 3.542 20 0 EHADLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000767946670 1133074137 /nfs/dbraw/zinc/07/41/37/1133074137.db2.gz WMKXHVIXTQKVOV-CQSZACIVSA-N 1 2 342.468 3.891 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000067806791 1133086521 /nfs/dbraw/zinc/08/65/21/1133086521.db2.gz PMPMXJHSFCHTKP-SNVBAGLBSA-N 1 2 327.306 3.500 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2ccc(Br)nc2)n1 ZINC001177724915 1133093662 /nfs/dbraw/zinc/09/36/62/1133093662.db2.gz SJMBOONQMKTCMK-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCc3cccc(Cl)c3)CC2)cc1 ZINC000096700725 1133098995 /nfs/dbraw/zinc/09/89/95/1133098995.db2.gz SAGZRPMQTVHZCS-UHFFFAOYSA-N 1 2 342.870 3.649 20 0 EHADLO CCCCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000768157829 1133102301 /nfs/dbraw/zinc/10/23/01/1133102301.db2.gz AMBZWXNYTAFDCW-SFHVURJKSA-N 1 2 325.456 3.783 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cnc2ccccc2c1 ZINC000768170948 1133104524 /nfs/dbraw/zinc/10/45/24/1133104524.db2.gz ZSTWVJXXIBIJMU-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cnc2ccccc2c1 ZINC000768170948 1133104526 /nfs/dbraw/zinc/10/45/26/1133104526.db2.gz ZSTWVJXXIBIJMU-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000768236855 1133116345 /nfs/dbraw/zinc/11/63/45/1133116345.db2.gz KASHBKHRPHHCBI-FQEVSTJZSA-N 1 2 349.430 3.670 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000768236855 1133116351 /nfs/dbraw/zinc/11/63/51/1133116351.db2.gz KASHBKHRPHHCBI-FQEVSTJZSA-N 1 2 349.430 3.670 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000768244459 1133119741 /nfs/dbraw/zinc/11/97/41/1133119741.db2.gz LUAYLSNCDXSIPG-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000768244459 1133119742 /nfs/dbraw/zinc/11/97/42/1133119742.db2.gz LUAYLSNCDXSIPG-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000768245085 1133120221 /nfs/dbraw/zinc/12/02/21/1133120221.db2.gz TWPBWLAVELEJJA-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000768245085 1133120226 /nfs/dbraw/zinc/12/02/26/1133120226.db2.gz TWPBWLAVELEJJA-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001177997459 1133122364 /nfs/dbraw/zinc/12/23/64/1133122364.db2.gz BUYVKJMTSCTSTP-UHFFFAOYSA-N 1 2 327.334 3.926 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(Cl)cc1C)C[C@@H]2O ZINC000768505160 1133146736 /nfs/dbraw/zinc/14/67/36/1133146736.db2.gz LDJCPCZXFLGOHR-INIZCTEOSA-N 1 2 347.842 3.715 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(Cl)cc1C)C[C@@H]2O ZINC000768505160 1133146738 /nfs/dbraw/zinc/14/67/38/1133146738.db2.gz LDJCPCZXFLGOHR-INIZCTEOSA-N 1 2 347.842 3.715 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000768510678 1133147315 /nfs/dbraw/zinc/14/73/15/1133147315.db2.gz URJWIOCTPDJAOG-WOJBJXKFSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000768510678 1133147320 /nfs/dbraw/zinc/14/73/20/1133147320.db2.gz URJWIOCTPDJAOG-WOJBJXKFSA-N 1 2 345.870 3.973 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001178377404 1133160609 /nfs/dbraw/zinc/16/06/09/1133160609.db2.gz JHVMUBJVSHPTRS-UHFFFAOYSA-N 1 2 346.328 3.579 20 0 EHADLO OCc1cc[nH+]c(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC001178991775 1133219547 /nfs/dbraw/zinc/21/95/47/1133219547.db2.gz HUDDPQDXFUWKQD-UHFFFAOYSA-N 1 2 348.328 3.595 20 0 EHADLO COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC001249933809 1133254064 /nfs/dbraw/zinc/25/40/64/1133254064.db2.gz NZMLCYJMUDSGDH-UHFFFAOYSA-N 1 2 334.218 3.908 20 0 EHADLO COc1cccc2[nH]c(NCc3ccc(Br)cc3)[nH+]c21 ZINC001179497797 1133256677 /nfs/dbraw/zinc/25/66/77/1133256677.db2.gz PEQAEFQNYCMYNO-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ncc(Cl)s1 ZINC001179512102 1133258407 /nfs/dbraw/zinc/25/84/07/1133258407.db2.gz NTIZDKWEIFDQPF-UHFFFAOYSA-N 1 2 336.823 3.720 20 0 EHADLO O=c1[nH]c2cc(F)ccc2cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC001179541858 1133260711 /nfs/dbraw/zinc/26/07/11/1133260711.db2.gz SBZLYLZXYYGCRC-UHFFFAOYSA-N 1 2 336.288 3.787 20 0 EHADLO C[N@H+](Cc1cscc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333163 1133264630 /nfs/dbraw/zinc/26/46/30/1133264630.db2.gz FHWXVRNKGGRFCM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO C[N@@H+](Cc1cscc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333163 1133264633 /nfs/dbraw/zinc/26/46/33/1133264633.db2.gz FHWXVRNKGGRFCM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001179655628 1133267713 /nfs/dbraw/zinc/26/77/13/1133267713.db2.gz ULHCTGLANDWUCS-UHFFFAOYSA-N 1 2 345.874 3.706 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cncc2ccccc21 ZINC000769378538 1133273118 /nfs/dbraw/zinc/27/31/18/1133273118.db2.gz DFHZYABRQFXZDJ-NRFANRHFSA-N 1 2 348.446 3.841 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cncc2ccccc21 ZINC000769378538 1133273123 /nfs/dbraw/zinc/27/31/23/1133273123.db2.gz DFHZYABRQFXZDJ-NRFANRHFSA-N 1 2 348.446 3.841 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769388273 1133274856 /nfs/dbraw/zinc/27/48/56/1133274856.db2.gz KGTACUJAERLXAP-PBHICJAKSA-N 1 2 332.444 3.664 20 0 EHADLO O=C([C@@H](F)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000769390694 1133274980 /nfs/dbraw/zinc/27/49/80/1133274980.db2.gz SWVMWEHAVHLCKU-SFHVURJKSA-N 1 2 329.419 3.613 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000769388466 1133275418 /nfs/dbraw/zinc/27/54/18/1133275418.db2.gz AGVMJEJANPJAIK-JXXFODFXSA-N 1 2 339.435 3.824 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000769388466 1133275424 /nfs/dbraw/zinc/27/54/24/1133275424.db2.gz AGVMJEJANPJAIK-JXXFODFXSA-N 1 2 339.435 3.824 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC001179892936 1133293064 /nfs/dbraw/zinc/29/30/64/1133293064.db2.gz WUZAPEQLJTYJGP-INIZCTEOSA-N 1 2 348.830 3.569 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC001179892936 1133293066 /nfs/dbraw/zinc/29/30/66/1133293066.db2.gz WUZAPEQLJTYJGP-INIZCTEOSA-N 1 2 348.830 3.569 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000769499899 1133302213 /nfs/dbraw/zinc/30/22/13/1133302213.db2.gz XHXVSBWBYPBXKR-INIZCTEOSA-N 1 2 343.858 3.761 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000769499899 1133302221 /nfs/dbraw/zinc/30/22/21/1133302221.db2.gz XHXVSBWBYPBXKR-INIZCTEOSA-N 1 2 343.858 3.761 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769772138 1133339333 /nfs/dbraw/zinc/33/93/33/1133339333.db2.gz MGNCGYZWWUEUMH-OBEJXRGXSA-N 1 2 343.858 3.883 20 0 EHADLO COc1ccccc1CN1CC[NH+](Cc2cc3c(cccc3C)[nH]2)CC1 ZINC001180208168 1133343241 /nfs/dbraw/zinc/34/32/41/1133343241.db2.gz GWXKIKXLAYKRGZ-UHFFFAOYSA-N 1 2 349.478 3.803 20 0 EHADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180213113 1133344778 /nfs/dbraw/zinc/34/47/78/1133344778.db2.gz PGSGSSXGVXLCET-LJQANCHMSA-N 1 2 342.414 3.574 20 0 EHADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180213113 1133344785 /nfs/dbraw/zinc/34/47/85/1133344785.db2.gz PGSGSSXGVXLCET-LJQANCHMSA-N 1 2 342.414 3.574 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2cccs2)cc1)c1nnnn1C1CC1 ZINC000769798617 1133347778 /nfs/dbraw/zinc/34/77/78/1133347778.db2.gz BRPBVYGPUVRCQJ-GFCCVEGCSA-N 1 2 325.441 3.587 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2cccc(F)c2N)cn1 ZINC001180284981 1133357236 /nfs/dbraw/zinc/35/72/36/1133357236.db2.gz RCPSMZFOEVYGDF-LJQANCHMSA-N 1 2 342.393 3.502 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2cccc(F)c2N)cn1 ZINC001180284981 1133357241 /nfs/dbraw/zinc/35/72/41/1133357241.db2.gz RCPSMZFOEVYGDF-LJQANCHMSA-N 1 2 342.393 3.502 20 0 EHADLO COc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1F ZINC000770065739 1133388017 /nfs/dbraw/zinc/38/80/17/1133388017.db2.gz CFMGCBUUIYOKAE-INIZCTEOSA-N 1 2 336.794 3.729 20 0 EHADLO CCOCCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000770151152 1133388842 /nfs/dbraw/zinc/38/88/42/1133388842.db2.gz ZGBBWMHZJSCDDI-UHFFFAOYSA-N 1 2 328.412 3.512 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)ccc1Cl ZINC001180671869 1133400269 /nfs/dbraw/zinc/40/02/69/1133400269.db2.gz DICTVROYELDMJO-UHFFFAOYSA-N 1 2 329.787 3.688 20 0 EHADLO COc1cc(OC)c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1F ZINC001180810410 1133418489 /nfs/dbraw/zinc/41/84/89/1133418489.db2.gz MGEJHUDVCPOTBW-ZDUSSCGKSA-N 1 2 331.387 3.626 20 0 EHADLO COc1cc(OC)c(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1F ZINC001180810410 1133418492 /nfs/dbraw/zinc/41/84/92/1133418492.db2.gz MGEJHUDVCPOTBW-ZDUSSCGKSA-N 1 2 331.387 3.626 20 0 EHADLO O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc2[nH+]ccn21 ZINC000770432349 1133429914 /nfs/dbraw/zinc/42/99/14/1133429914.db2.gz MHWIILKCSLSGEL-UHFFFAOYSA-N 1 2 334.423 3.967 20 0 EHADLO O=C(Cn1ccc2ccc(Cl)cc21)NCc1c[nH+]cn1C1CCC1 ZINC001180974715 1133438655 /nfs/dbraw/zinc/43/86/55/1133438655.db2.gz ZPBOTDGUWRSYRO-UHFFFAOYSA-N 1 2 342.830 3.533 20 0 EHADLO Cc1c(Cl)cc(NC(=O)CC23CCC[NH+]2CCC3)c(O)c1Cl ZINC001181108505 1133452885 /nfs/dbraw/zinc/45/28/85/1133452885.db2.gz YFBZYMLTQXFNNM-UHFFFAOYSA-N 1 2 343.254 3.964 20 0 EHADLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1OCC(F)F ZINC001181245111 1133467686 /nfs/dbraw/zinc/46/76/86/1133467686.db2.gz ZFDSRDKGXJPVLB-UHFFFAOYSA-N 1 2 337.414 3.983 20 0 EHADLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1OCC(F)F ZINC001181245111 1133467688 /nfs/dbraw/zinc/46/76/88/1133467688.db2.gz ZFDSRDKGXJPVLB-UHFFFAOYSA-N 1 2 337.414 3.983 20 0 EHADLO Nc1cc(CC(=O)N2CCC(c3ccc4ccccc4c3)CC2)cc[nH+]1 ZINC001181249143 1133468709 /nfs/dbraw/zinc/46/87/09/1133468709.db2.gz WGIAZFARVBXEHU-UHFFFAOYSA-N 1 2 345.446 3.766 20 0 EHADLO CC1=CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC001181258015 1133477630 /nfs/dbraw/zinc/47/76/30/1133477630.db2.gz XAVOWKLMSGYOSK-UHFFFAOYSA-N 1 2 331.172 3.582 20 0 EHADLO CC1=CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC001181258015 1133477633 /nfs/dbraw/zinc/47/76/33/1133477633.db2.gz XAVOWKLMSGYOSK-UHFFFAOYSA-N 1 2 331.172 3.582 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921206 1133484710 /nfs/dbraw/zinc/48/47/10/1133484710.db2.gz NJWIYUHRVKAASV-CYBMUJFWSA-N 1 2 344.798 3.807 20 0 EHADLO C/C=C\C[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OCC ZINC001181458279 1133489850 /nfs/dbraw/zinc/48/98/50/1133489850.db2.gz UVDVLMQIBYWMGQ-IYJKKCSJSA-N 1 2 331.456 3.675 20 0 EHADLO COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)snc1OC ZINC001181622016 1133507185 /nfs/dbraw/zinc/50/71/85/1133507185.db2.gz NKTOVDRAVVSOFS-JSGCOSHPSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1c(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)snc1OC ZINC001181622016 1133507188 /nfs/dbraw/zinc/50/71/88/1133507188.db2.gz NKTOVDRAVVSOFS-JSGCOSHPSA-N 1 2 346.452 3.521 20 0 EHADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000771144887 1133517714 /nfs/dbraw/zinc/51/77/14/1133517714.db2.gz FGTZPHUWSBUGHH-XJKSGUPXSA-N 1 2 334.391 3.612 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001181900336 1133548458 /nfs/dbraw/zinc/54/84/58/1133548458.db2.gz DCQKPXITUJOVFL-ZDUSSCGKSA-N 1 2 330.266 3.916 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC001181900336 1133548465 /nfs/dbraw/zinc/54/84/65/1133548465.db2.gz DCQKPXITUJOVFL-ZDUSSCGKSA-N 1 2 330.266 3.916 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cccc(F)c2Cl)cc1OC ZINC000771653036 1133580322 /nfs/dbraw/zinc/58/03/22/1133580322.db2.gz HZZWMGVWFREFSA-UHFFFAOYSA-N 1 2 338.766 3.543 20 0 EHADLO C[C@@H](CC(=O)c1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182169201 1133582131 /nfs/dbraw/zinc/58/21/31/1133582131.db2.gz RWYKWYRJTKQTED-INIZCTEOSA-N 1 2 347.418 3.779 20 0 EHADLO CC(C)(C)c1ccc(OCCCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771846925 1133599328 /nfs/dbraw/zinc/59/93/28/1133599328.db2.gz NTXDZLVELHKYCX-UHFFFAOYSA-N 1 2 330.428 3.583 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781336373 1133603232 /nfs/dbraw/zinc/60/32/32/1133603232.db2.gz VXWMBZBJYPLQMW-HUUCEWRRSA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781336373 1133603235 /nfs/dbraw/zinc/60/32/35/1133603235.db2.gz VXWMBZBJYPLQMW-HUUCEWRRSA-N 1 2 347.402 3.678 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182238614 1133605506 /nfs/dbraw/zinc/60/55/06/1133605506.db2.gz VHOXGRTURHPUOA-GOSISDBHSA-N 1 2 334.423 3.530 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182238614 1133605509 /nfs/dbraw/zinc/60/55/09/1133605509.db2.gz VHOXGRTURHPUOA-GOSISDBHSA-N 1 2 334.423 3.530 20 0 EHADLO Cn1ccnc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242810 1133606811 /nfs/dbraw/zinc/60/68/11/1133606811.db2.gz FIROIMFRHDHNRJ-MRXNPFEDSA-N 1 2 346.862 3.629 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000771959188 1133620526 /nfs/dbraw/zinc/62/05/26/1133620526.db2.gz PUMGOFKKRBLIQN-CHWSQXEVSA-N 1 2 325.195 3.537 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCCn3cc[nH+]c3)c2c1 ZINC000771992918 1133625606 /nfs/dbraw/zinc/62/56/06/1133625606.db2.gz GESWXYWLGCCQTJ-UHFFFAOYSA-N 1 2 335.407 3.783 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170039720 1133659440 /nfs/dbraw/zinc/65/94/40/1133659440.db2.gz RLUFHNGZKWYOLJ-CQSZACIVSA-N 1 2 342.842 3.970 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170039720 1133659443 /nfs/dbraw/zinc/65/94/43/1133659443.db2.gz RLUFHNGZKWYOLJ-CQSZACIVSA-N 1 2 342.842 3.970 20 0 EHADLO COc1ccc(CNc2ccc(Nc3cccc(OC)c3)c[nH+]2)nc1 ZINC001182908743 1133748348 /nfs/dbraw/zinc/74/83/48/1133748348.db2.gz AIQHKHXFQKGLBF-UHFFFAOYSA-N 1 2 336.395 3.850 20 0 EHADLO CC1(F)CC[NH+](Cc2ccc(I)s2)CC1 ZINC001183146647 1133771497 /nfs/dbraw/zinc/77/14/97/1133771497.db2.gz ZDFPAQVDSXHLTP-UHFFFAOYSA-N 1 2 339.217 3.677 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001183243253 1133784246 /nfs/dbraw/zinc/78/42/46/1133784246.db2.gz NCGGJRORGGAOOP-UHFFFAOYSA-N 1 2 339.464 3.882 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001183243253 1133784250 /nfs/dbraw/zinc/78/42/50/1133784250.db2.gz NCGGJRORGGAOOP-UHFFFAOYSA-N 1 2 339.464 3.882 20 0 EHADLO CO[C@@H](c1ccccc1)[C@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000786871912 1133914790 /nfs/dbraw/zinc/91/47/90/1133914790.db2.gz KPJCEVYJDVKPEK-HRAATJIYSA-N 1 2 340.467 3.836 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1csc2ccccc21 ZINC000786908737 1133919708 /nfs/dbraw/zinc/91/97/08/1133919708.db2.gz LMMUYEVGFDRTEO-OLZOCXBDSA-N 1 2 325.437 3.538 20 0 EHADLO O=c1sccn1C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000746623454 1133937032 /nfs/dbraw/zinc/93/70/32/1133937032.db2.gz BVZNWBFDOCGSCM-UHFFFAOYSA-N 1 2 342.386 3.766 20 0 EHADLO CC(C)c1nn(C[N@H+](C)CCC2CC2)c(=S)n1Cc1ccco1 ZINC000746638436 1133955072 /nfs/dbraw/zinc/95/50/72/1133955072.db2.gz XXQSEAPRHUQGJX-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO CC(C)c1nn(C[N@@H+](C)CCC2CC2)c(=S)n1Cc1ccco1 ZINC000746638436 1133955075 /nfs/dbraw/zinc/95/50/75/1133955075.db2.gz XXQSEAPRHUQGJX-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO Cn1nc(Br)cc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000787193271 1133972697 /nfs/dbraw/zinc/97/26/97/1133972697.db2.gz XICSFMAHXORBAY-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000787193271 1133972701 /nfs/dbraw/zinc/97/27/01/1133972701.db2.gz XICSFMAHXORBAY-UHFFFAOYSA-N 1 2 334.217 3.561 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1ccccc1F ZINC000787246646 1133977779 /nfs/dbraw/zinc/97/77/79/1133977779.db2.gz ZIVJNHLRAFXEQH-CQSZACIVSA-N 1 2 331.439 3.553 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1ccccc1F ZINC000787246646 1133977783 /nfs/dbraw/zinc/97/77/83/1133977783.db2.gz ZIVJNHLRAFXEQH-CQSZACIVSA-N 1 2 331.439 3.553 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c(N(C)C)[nH+]1 ZINC000787420290 1134001325 /nfs/dbraw/zinc/00/13/25/1134001325.db2.gz FXLNKXXNVAFZHL-LBPRGKRZSA-N 1 2 344.381 3.651 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@@H]2CCCC[C@H]2C)c1C ZINC000746685428 1134008162 /nfs/dbraw/zinc/00/81/62/1134008162.db2.gz PFFUPPUWGIXEFI-IUODEOHRSA-N 1 2 335.517 3.592 20 0 EHADLO COC(=O)[C@@H](C)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001185042742 1134023702 /nfs/dbraw/zinc/02/37/02/1134023702.db2.gz HUOUZTGGQSHXBX-AWEZNQCLSA-N 1 2 325.412 3.702 20 0 EHADLO Cc1cccc(C2(CC(=O)N3CCC(n4cc[nH+]c4)CC3)CCC2)c1 ZINC001185085946 1134026528 /nfs/dbraw/zinc/02/65/28/1134026528.db2.gz YXZQMNQTTGNVFR-UHFFFAOYSA-N 1 2 337.467 3.867 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3ccc(F)c(F)c3F)c[nH+]c12 ZINC001185352498 1134070458 /nfs/dbraw/zinc/07/04/58/1134070458.db2.gz SAULBGIJMPHQED-JTQLQIEISA-N 1 2 348.328 3.943 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(F)c(F)c1F ZINC001185330236 1134073038 /nfs/dbraw/zinc/07/30/38/1134073038.db2.gz QLBVBBDOORXWKB-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO Cc1ccc(CNC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001185395432 1134078476 /nfs/dbraw/zinc/07/84/76/1134078476.db2.gz HMDIKDRQHJAKGV-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO CC(C)OCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245940 1134098892 /nfs/dbraw/zinc/09/88/92/1134098892.db2.gz HHHLURZSGNJPCL-MRXNPFEDSA-N 1 2 347.503 3.636 20 0 EHADLO CC(C)OCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245940 1134098897 /nfs/dbraw/zinc/09/88/97/1134098897.db2.gz HHHLURZSGNJPCL-MRXNPFEDSA-N 1 2 347.503 3.636 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001185735655 1134126644 /nfs/dbraw/zinc/12/66/44/1134126644.db2.gz GAOJSYPRMPPRQA-UHFFFAOYSA-N 1 2 337.423 3.646 20 0 EHADLO C/C=C(/CC)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788733592 1134167594 /nfs/dbraw/zinc/16/75/94/1134167594.db2.gz ORDFAACNUQGHTI-CQPUUCJISA-N 1 2 340.389 3.706 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC001186390467 1134207392 /nfs/dbraw/zinc/20/73/92/1134207392.db2.gz NOKFRFVPQUDPES-INIZCTEOSA-N 1 2 340.471 3.983 20 0 EHADLO O[C@H](CNc1nc2ccccc2n2c[nH+]cc12)c1ccc(Cl)cc1 ZINC001186571545 1134233278 /nfs/dbraw/zinc/23/32/78/1134233278.db2.gz LEVJHSFJPKSMJC-QGZVFWFLSA-N 1 2 338.798 3.681 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000789298948 1134250837 /nfs/dbraw/zinc/25/08/37/1134250837.db2.gz ZUZCFKIGNJHZRS-KRWDZBQOSA-N 1 2 333.428 3.981 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1Cl ZINC000789906055 1134348369 /nfs/dbraw/zinc/34/83/69/1134348369.db2.gz USQXWVUFAKNFKM-CYBMUJFWSA-N 1 2 337.826 3.829 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008341 1134360138 /nfs/dbraw/zinc/36/01/38/1134360138.db2.gz SCKKJYDGNSGBTF-QWHCGFSZSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008341 1134360145 /nfs/dbraw/zinc/36/01/45/1134360145.db2.gz SCKKJYDGNSGBTF-QWHCGFSZSA-N 1 2 349.887 3.532 20 0 EHADLO COc1ccccc1[C@H](C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001187680083 1134365977 /nfs/dbraw/zinc/36/59/77/1134365977.db2.gz QVPROOLHHRKCQD-INIZCTEOSA-N 1 2 349.434 3.643 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001187773193 1134376459 /nfs/dbraw/zinc/37/64/59/1134376459.db2.gz HGOGYXDBIGMDLB-MRXNPFEDSA-N 1 2 347.875 3.680 20 0 EHADLO CC(C)n1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(C(F)(F)F)c1 ZINC001187777087 1134377557 /nfs/dbraw/zinc/37/75/57/1134377557.db2.gz KYNYUSNBERBSMB-UHFFFAOYSA-N 1 2 336.317 3.988 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccsc2)CC1 ZINC000790329007 1134397244 /nfs/dbraw/zinc/39/72/44/1134397244.db2.gz XILOROYKNYGABY-LBPRGKRZSA-N 1 2 337.539 3.885 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cccc(COc2ccccc2)c1 ZINC001187965139 1134400420 /nfs/dbraw/zinc/40/04/20/1134400420.db2.gz YLAMINIJHZRBEO-UHFFFAOYSA-N 1 2 344.414 3.824 20 0 EHADLO CC1(C)C[N@H+](CN2CC3(CCCC3)OC2=O)CC[C@H]1C(F)(F)F ZINC000790458532 1134420912 /nfs/dbraw/zinc/42/09/12/1134420912.db2.gz BVBWXARAEVADRE-GFCCVEGCSA-N 1 2 334.382 3.619 20 0 EHADLO CC1(C)C[N@@H+](CN2CC3(CCCC3)OC2=O)CC[C@H]1C(F)(F)F ZINC000790458532 1134420915 /nfs/dbraw/zinc/42/09/15/1134420915.db2.gz BVBWXARAEVADRE-GFCCVEGCSA-N 1 2 334.382 3.619 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000790479330 1134423314 /nfs/dbraw/zinc/42/33/14/1134423314.db2.gz SZBSBERXVGHJOG-HSBSLETESA-N 1 2 346.525 3.896 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000790479330 1134423317 /nfs/dbraw/zinc/42/33/17/1134423317.db2.gz SZBSBERXVGHJOG-HSBSLETESA-N 1 2 346.525 3.896 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3cccc(Cl)c3F)c[nH+]c12 ZINC001188418519 1134460253 /nfs/dbraw/zinc/46/02/53/1134460253.db2.gz QPCVODXJFOURMP-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000791380260 1134538049 /nfs/dbraw/zinc/53/80/49/1134538049.db2.gz JMRJRSOYNCZNPW-KXBFYZLASA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1csc(C2CC2)n1 ZINC000791357645 1134540101 /nfs/dbraw/zinc/54/01/01/1134540101.db2.gz VSEASMBVJCMZJX-UHFFFAOYSA-N 1 2 339.420 3.872 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446861 1134552623 /nfs/dbraw/zinc/55/26/23/1134552623.db2.gz DFAXBUXHHZJMEW-QGZVFWFLSA-N 1 2 331.481 3.603 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446861 1134552627 /nfs/dbraw/zinc/55/26/27/1134552627.db2.gz DFAXBUXHHZJMEW-QGZVFWFLSA-N 1 2 331.481 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2cnc3ccccc3c2)c1C ZINC000791554165 1134572347 /nfs/dbraw/zinc/57/23/47/1134572347.db2.gz FEMBJCBBTNTQTK-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO CCCCn1ncc(NC(=O)c2cccc3[nH+]ccn32)c1C(C)C ZINC000791657210 1134585823 /nfs/dbraw/zinc/58/58/23/1134585823.db2.gz ANVLRIXPZLEPHG-UHFFFAOYSA-N 1 2 325.416 3.707 20 0 EHADLO Cc1ccc(NC(=O)CCc2cnc3ccccc3c2)c(N(C)C)[nH+]1 ZINC000791658625 1134586017 /nfs/dbraw/zinc/58/60/17/1134586017.db2.gz UIYYVHOGUGRYSP-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO Nc1cc(COC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc[nH+]1 ZINC000791857985 1134613372 /nfs/dbraw/zinc/61/33/72/1134613372.db2.gz YWCQRYXILOPKGH-UHFFFAOYSA-N 1 2 340.329 3.966 20 0 EHADLO O=C(Oc1ccc2cccnc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000791860241 1134614025 /nfs/dbraw/zinc/61/40/25/1134614025.db2.gz YYWGNADGKCDVPM-UHFFFAOYSA-N 1 2 329.359 3.699 20 0 EHADLO COc1ccc(-c2noc(C)c2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001189775419 1134625540 /nfs/dbraw/zinc/62/55/40/1134625540.db2.gz FIVRNGQLIIAIQZ-UHFFFAOYSA-N 1 2 348.362 3.559 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2OCc2cccs2)cc[nH+]1 ZINC000791869211 1134625625 /nfs/dbraw/zinc/62/56/25/1134625625.db2.gz GGRPBCRXIBUYFX-UHFFFAOYSA-N 1 2 340.404 3.661 20 0 EHADLO CCc1cccc(CC)c1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001189793767 1134628375 /nfs/dbraw/zinc/62/83/75/1134628375.db2.gz PMTMFHQBXLHZQR-UHFFFAOYSA-N 1 2 340.402 3.920 20 0 EHADLO Nc1cc(COC(=O)CC2(CSc3ccccc3)CC2)cc[nH+]1 ZINC000792151997 1134657929 /nfs/dbraw/zinc/65/79/29/1134657929.db2.gz ULPTZJKOBGNKTQ-UHFFFAOYSA-N 1 2 328.437 3.670 20 0 EHADLO COc1ccccc1Cc1cn(CC(=O)c2ccc(C)cc2C)c[nH+]1 ZINC001190274271 1134676300 /nfs/dbraw/zinc/67/63/00/1134676300.db2.gz RHJOZJKQVMIWIN-UHFFFAOYSA-N 1 2 334.419 3.982 20 0 EHADLO Nc1cc(COC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc[nH+]1 ZINC000792271739 1134676415 /nfs/dbraw/zinc/67/64/15/1134676415.db2.gz KPBZEKIKVVCFGF-UHFFFAOYSA-N 1 2 345.358 3.829 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1C ZINC000792336558 1134683324 /nfs/dbraw/zinc/68/33/24/1134683324.db2.gz FPLOTLLNXOUBLL-GFCCVEGCSA-N 1 2 330.436 3.576 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170248192 1134731840 /nfs/dbraw/zinc/73/18/40/1134731840.db2.gz NEXNDOQQUWLAOR-RDTXWAMCSA-N 1 2 331.843 3.645 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](OC)c2ccc(F)cc2)o1 ZINC001191122898 1134797377 /nfs/dbraw/zinc/79/73/77/1134797377.db2.gz STZIVSMBGYHMPJ-HKUYNNGSSA-N 1 2 333.403 3.742 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](OC)c2ccc(F)cc2)o1 ZINC001191122898 1134797383 /nfs/dbraw/zinc/79/73/83/1134797383.db2.gz STZIVSMBGYHMPJ-HKUYNNGSSA-N 1 2 333.403 3.742 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc2cc(F)ccc12 ZINC000793166112 1134860475 /nfs/dbraw/zinc/86/04/75/1134860475.db2.gz DXKFHEZZJBRODO-MRXNPFEDSA-N 1 2 329.375 3.613 20 0 EHADLO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473137 1134869440 /nfs/dbraw/zinc/86/94/40/1134869440.db2.gz CRCLMPLXRWJHLB-MAUKXSAKSA-N 1 2 333.472 3.914 20 0 EHADLO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473137 1134869444 /nfs/dbraw/zinc/86/94/44/1134869444.db2.gz CRCLMPLXRWJHLB-MAUKXSAKSA-N 1 2 333.472 3.914 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000793251332 1134889099 /nfs/dbraw/zinc/88/90/99/1134889099.db2.gz WYIVOZLYRQVBIC-UHFFFAOYSA-N 1 2 341.238 3.836 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000793252800 1134890393 /nfs/dbraw/zinc/89/03/93/1134890393.db2.gz QVQUBSYOEQDTQI-UHFFFAOYSA-N 1 2 330.403 3.547 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC([NH+]3CCC(F)(F)CC3)C2)c1 ZINC001191693512 1134907540 /nfs/dbraw/zinc/90/75/40/1134907540.db2.gz ZRIGAIQBCSESAQ-UHFFFAOYSA-N 1 2 343.805 3.596 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3ccc(Cl)c(C)c3)c[nH+]c12 ZINC001191769952 1134911370 /nfs/dbraw/zinc/91/13/70/1134911370.db2.gz FINUKIWDMNBSFJ-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1cc(NC(=O)NCc2c[nH+]cn2CC2CCC2)ccc1Cl ZINC001191785070 1134921600 /nfs/dbraw/zinc/92/16/00/1134921600.db2.gz LMYCZZBNSZZHCN-UHFFFAOYSA-N 1 2 332.835 3.967 20 0 EHADLO CCOc1ccc(C)cc1S(=O)(=O)Nc1cc[nH+]c(C2CCC2)c1 ZINC001191791973 1134924520 /nfs/dbraw/zinc/92/45/20/1134924520.db2.gz JKAPLBLLXIMCFU-UHFFFAOYSA-N 1 2 346.452 3.857 20 0 EHADLO C[C@]12CC[N@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C[C@H]1C2(F)F ZINC000793534724 1134950048 /nfs/dbraw/zinc/95/00/48/1134950048.db2.gz VARHJXNPMVRNDJ-FMKPAKJESA-N 1 2 340.801 3.548 20 0 EHADLO C[C@]12CC[N@@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C[C@H]1C2(F)F ZINC000793534724 1134950054 /nfs/dbraw/zinc/95/00/54/1134950054.db2.gz VARHJXNPMVRNDJ-FMKPAKJESA-N 1 2 340.801 3.548 20 0 EHADLO CCCCCCNC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001191964407 1134951984 /nfs/dbraw/zinc/95/19/84/1134951984.db2.gz BHKRFQPTJIFJOF-UHFFFAOYSA-N 1 2 340.471 3.647 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)Nc3cc[nH+]c4c3CCC4)n2)cc1 ZINC001192055681 1134961884 /nfs/dbraw/zinc/96/18/84/1134961884.db2.gz CYSBURMPNCBRIK-UHFFFAOYSA-N 1 2 329.403 3.615 20 0 EHADLO Cc1cn2c(cccc2NC(=O)Nc2ccc(OC(F)F)cc2)[nH+]1 ZINC001192139850 1134975373 /nfs/dbraw/zinc/97/53/73/1134975373.db2.gz FJOUCCXMHYRAJC-UHFFFAOYSA-N 1 2 332.310 3.888 20 0 EHADLO CCc1onc(C)c1C[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252630 1134984745 /nfs/dbraw/zinc/98/47/45/1134984745.db2.gz JIZXZANJMSSRAY-CVEARBPZSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1onc(C)c1C[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252630 1134984749 /nfs/dbraw/zinc/98/47/49/1134984749.db2.gz JIZXZANJMSSRAY-CVEARBPZSA-N 1 2 327.472 3.640 20 0 EHADLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)Cc2cccs2)c1 ZINC000793834621 1134998309 /nfs/dbraw/zinc/99/83/09/1134998309.db2.gz IYEPKSDXNMYHDH-UHFFFAOYSA-N 1 2 326.368 3.899 20 0 EHADLO CCOCC1CC[NH+](Cc2cncc(Br)c2Cl)CC1 ZINC001250469910 1135004309 /nfs/dbraw/zinc/00/43/09/1135004309.db2.gz GWEMHAMPVUHFOT-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC001192371422 1135007988 /nfs/dbraw/zinc/00/79/88/1135007988.db2.gz YZEUTMMZRBFBMY-ZWKOTPCHSA-N 1 2 331.456 3.714 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC001192371422 1135007990 /nfs/dbraw/zinc/00/79/90/1135007990.db2.gz YZEUTMMZRBFBMY-ZWKOTPCHSA-N 1 2 331.456 3.714 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccc(F)c(C)c2)CC1 ZINC001192373182 1135008091 /nfs/dbraw/zinc/00/80/91/1135008091.db2.gz XQZYITFRFJATHA-UHFFFAOYSA-N 1 2 342.418 3.608 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2CC(c3ccc(F)cc3)C2)c1C ZINC000794259918 1135033585 /nfs/dbraw/zinc/03/35/85/1135033585.db2.gz BCIMDFJDFPFJGA-UHFFFAOYSA-N 1 2 342.414 3.656 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc2[nH+]ccn21 ZINC000794369217 1135039701 /nfs/dbraw/zinc/03/97/01/1135039701.db2.gz FNQIRRTWCBNTDD-CTYIDZIISA-N 1 2 325.799 3.664 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1cccc(N2CCCC2)c1 ZINC000775549896 1135061181 /nfs/dbraw/zinc/06/11/81/1135061181.db2.gz RIZFMQROVCAUEQ-CQSZACIVSA-N 1 2 328.460 3.818 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116284 1135103876 /nfs/dbraw/zinc/10/38/76/1135103876.db2.gz ANKUVXVUZYXKSF-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116284 1135103878 /nfs/dbraw/zinc/10/38/78/1135103878.db2.gz ANKUVXVUZYXKSF-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO OC[C@@H](C[C@H](O)c1ccccc1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000804573470 1135124746 /nfs/dbraw/zinc/12/47/46/1135124746.db2.gz FGWDGNKHLUFGGV-KDOFPFPSSA-N 1 2 342.826 3.785 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC001193324671 1135125556 /nfs/dbraw/zinc/12/55/56/1135125556.db2.gz QBGFCRLEJOZLHP-APWZRJJASA-N 1 2 327.399 3.838 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC001193324671 1135125558 /nfs/dbraw/zinc/12/55/58/1135125558.db2.gz QBGFCRLEJOZLHP-APWZRJJASA-N 1 2 327.399 3.838 20 0 EHADLO Cc1ccc2nc(Cl)c(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)cc2c1 ZINC001137918800 1135135619 /nfs/dbraw/zinc/13/56/19/1135135619.db2.gz PWEPXPUGJWPOKV-CQSZACIVSA-N 1 2 340.801 3.646 20 0 EHADLO Cc1ccc2nc(Cl)c(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)cc2c1 ZINC001137918800 1135135624 /nfs/dbraw/zinc/13/56/24/1135135624.db2.gz PWEPXPUGJWPOKV-CQSZACIVSA-N 1 2 340.801 3.646 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(C)c4ccccc34)[nH+]c12 ZINC001129750685 1135150520 /nfs/dbraw/zinc/15/05/20/1135150520.db2.gz DEXUXNKAAPPRBT-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO CC(C)OC(=O)NCc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1 ZINC001193521323 1135151270 /nfs/dbraw/zinc/15/12/70/1135151270.db2.gz KIRNWQSEXWTCQT-UHFFFAOYSA-N 1 2 341.333 3.585 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CCC1=O ZINC001193526081 1135152441 /nfs/dbraw/zinc/15/24/41/1135152441.db2.gz HVSMRPKOYMFNDR-OAHLLOKOSA-N 1 2 327.399 3.816 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CCC1=O ZINC001193526081 1135152446 /nfs/dbraw/zinc/15/24/46/1135152446.db2.gz HVSMRPKOYMFNDR-OAHLLOKOSA-N 1 2 327.399 3.816 20 0 EHADLO Cn1c[nH+]cc1CN1CCC(C)(C)c2ccc(Br)cc21 ZINC001193725053 1135173333 /nfs/dbraw/zinc/17/33/33/1135173333.db2.gz OZIOZFKMCNLOLA-UHFFFAOYSA-N 1 2 334.261 3.871 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001193773305 1135178112 /nfs/dbraw/zinc/17/81/12/1135178112.db2.gz PZTDEOQKLBNYJS-UHFFFAOYSA-N 1 2 349.409 3.855 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001193773305 1135178117 /nfs/dbraw/zinc/17/81/17/1135178117.db2.gz PZTDEOQKLBNYJS-UHFFFAOYSA-N 1 2 349.409 3.855 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC2 ZINC001193773946 1135178236 /nfs/dbraw/zinc/17/82/36/1135178236.db2.gz UMKKDTPTDOGZCO-KUHUBIRLSA-N 1 2 332.463 3.529 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC2 ZINC001193773946 1135178237 /nfs/dbraw/zinc/17/82/37/1135178237.db2.gz UMKKDTPTDOGZCO-KUHUBIRLSA-N 1 2 332.463 3.529 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001193850631 1135195164 /nfs/dbraw/zinc/19/51/64/1135195164.db2.gz YJIRPLMKRFDGBX-LBPRGKRZSA-N 1 2 325.437 3.908 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001194251058 1135250459 /nfs/dbraw/zinc/25/04/59/1135250459.db2.gz MREKQENULVQNOV-UHFFFAOYSA-N 1 2 349.228 3.735 20 0 EHADLO COc1ncc(Br)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC001194251058 1135250462 /nfs/dbraw/zinc/25/04/62/1135250462.db2.gz MREKQENULVQNOV-UHFFFAOYSA-N 1 2 349.228 3.735 20 0 EHADLO CC[C@@H](C)COC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001194786776 1135314833 /nfs/dbraw/zinc/31/48/33/1135314833.db2.gz LJYRFAZXEZUEIC-OAHLLOKOSA-N 1 2 327.428 3.540 20 0 EHADLO Cc1nc2c(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)cccn2c1C ZINC001194885758 1135335124 /nfs/dbraw/zinc/33/51/24/1135335124.db2.gz IHMKTMLKAJBXOH-UHFFFAOYSA-N 1 2 345.406 3.604 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C3(C)COC3)cc2)c1 ZINC001194906262 1135337956 /nfs/dbraw/zinc/33/79/56/1135337956.db2.gz BIGZZLKTNTWNLP-UHFFFAOYSA-N 1 2 347.418 3.627 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)c1 ZINC001194910826 1135338911 /nfs/dbraw/zinc/33/89/11/1135338911.db2.gz ZQXFDQUSHXKXFJ-UHFFFAOYSA-N 1 2 344.374 3.593 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cccc3c2OCCC3)c1 ZINC001194906893 1135339514 /nfs/dbraw/zinc/33/95/14/1135339514.db2.gz JPOVKUVMSWOPFC-UHFFFAOYSA-N 1 2 333.391 3.664 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)c3ccco3)CC2)cs1 ZINC000805903641 1135346652 /nfs/dbraw/zinc/34/66/52/1135346652.db2.gz LFBLDRGMFSKAPP-LBPRGKRZSA-N 1 2 334.441 3.561 20 0 EHADLO CC[C@@H](C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001195152709 1135381773 /nfs/dbraw/zinc/38/17/73/1135381773.db2.gz XWSTWGLLXXOKII-GFCCVEGCSA-N 1 2 342.842 3.968 20 0 EHADLO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1O ZINC000775646687 1135401291 /nfs/dbraw/zinc/40/12/91/1135401291.db2.gz NDYHPSNWLCDZTG-UHFFFAOYSA-N 1 2 344.842 3.571 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cc(F)ccc1F ZINC000775652367 1135416943 /nfs/dbraw/zinc/41/69/43/1135416943.db2.gz FTZAZQILUWETAJ-IBGZPJMESA-N 1 2 342.393 3.846 20 0 EHADLO CC1(C)c2ccccc2CC[N@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775651737 1135422515 /nfs/dbraw/zinc/42/25/15/1135422515.db2.gz BTDYLGBHNVOXLF-UHFFFAOYSA-N 1 2 332.451 3.620 20 0 EHADLO CC1(C)c2ccccc2CC[N@@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775651737 1135422516 /nfs/dbraw/zinc/42/25/16/1135422516.db2.gz BTDYLGBHNVOXLF-UHFFFAOYSA-N 1 2 332.451 3.620 20 0 EHADLO CC(C)([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccc(F)c(F)c1 ZINC000775651929 1135422658 /nfs/dbraw/zinc/42/26/58/1135422658.db2.gz CCOIJVYNMFZXEW-UHFFFAOYSA-N 1 2 342.393 3.630 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762763640 1135423307 /nfs/dbraw/zinc/42/33/07/1135423307.db2.gz VHGOZZQKSIKRKD-HTQZYQBOSA-N 1 2 342.212 4.000 20 0 EHADLO Clc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c1 ZINC001203812200 1135450439 /nfs/dbraw/zinc/45/04/39/1135450439.db2.gz PZMBWCNMJLOXTK-OAHLLOKOSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c1 ZINC001203812200 1135450442 /nfs/dbraw/zinc/45/04/42/1135450442.db2.gz PZMBWCNMJLOXTK-OAHLLOKOSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001203812199 1135450784 /nfs/dbraw/zinc/45/07/84/1135450784.db2.gz PZMBWCNMJLOXTK-HNNXBMFYSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1cc(Cl)cc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001203812199 1135450788 /nfs/dbraw/zinc/45/07/88/1135450788.db2.gz PZMBWCNMJLOXTK-HNNXBMFYSA-N 1 2 338.238 3.827 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCSc1cccc(OC)c1 ZINC001195704124 1135457482 /nfs/dbraw/zinc/45/74/82/1135457482.db2.gz GWNNBQRWUVGMJP-INIZCTEOSA-N 1 2 339.501 3.839 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCSc1cccc(OC)c1 ZINC001195704124 1135457488 /nfs/dbraw/zinc/45/74/88/1135457488.db2.gz GWNNBQRWUVGMJP-INIZCTEOSA-N 1 2 339.501 3.839 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3=C(C)OCCS3)c2)[nH+]c1C ZINC000806563805 1135460850 /nfs/dbraw/zinc/46/08/50/1135460850.db2.gz ABPKBHHBVHPBJT-UHFFFAOYSA-N 1 2 329.425 3.627 20 0 EHADLO COC[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1cccc(OC)c1 ZINC001195902318 1135481869 /nfs/dbraw/zinc/48/18/69/1135481869.db2.gz LIVLVBCVZDRZMC-HNNXBMFYSA-N 1 2 341.238 3.874 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001195863352 1135482834 /nfs/dbraw/zinc/48/28/34/1135482834.db2.gz RWBTXGBZMBBQMI-UHFFFAOYSA-N 1 2 334.460 3.952 20 0 EHADLO CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775681653 1135505207 /nfs/dbraw/zinc/50/52/07/1135505207.db2.gz FCYIFCRKCMXIEO-GOSISDBHSA-N 1 2 338.455 3.997 20 0 EHADLO Cc1cccc(Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1F ZINC000867160956 1135522140 /nfs/dbraw/zinc/52/21/40/1135522140.db2.gz UUMOACFBBUIIAX-GOSISDBHSA-N 1 2 325.387 3.759 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NC3C[NH+](C)C3)cc2C)c(Cl)c1 ZINC001196353098 1135550192 /nfs/dbraw/zinc/55/01/92/1135550192.db2.gz WVWOTHBFWYVIQY-UHFFFAOYSA-N 1 2 328.843 3.668 20 0 EHADLO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc(Cl)c2O)cc1 ZINC000775723492 1135573017 /nfs/dbraw/zinc/57/30/17/1135573017.db2.gz AWMRQTDDJAAAJT-UHFFFAOYSA-N 1 2 348.830 3.628 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H]3CC34CCC4)n2)C1 ZINC000867180655 1135576700 /nfs/dbraw/zinc/57/67/00/1135576700.db2.gz HWKRWIDZFOUMJP-IRXDYDNUSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H]3CC34CCC4)n2)C1 ZINC000867180655 1135576704 /nfs/dbraw/zinc/57/67/04/1135576704.db2.gz HWKRWIDZFOUMJP-IRXDYDNUSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C(F)=C3CCC3)n2)C1 ZINC000867181995 1135578686 /nfs/dbraw/zinc/57/86/86/1135578686.db2.gz RBMIYHNHNFSGFM-INIZCTEOSA-N 1 2 343.402 3.816 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C(F)=C3CCC3)n2)C1 ZINC000867181995 1135578689 /nfs/dbraw/zinc/57/86/89/1135578689.db2.gz RBMIYHNHNFSGFM-INIZCTEOSA-N 1 2 343.402 3.816 20 0 EHADLO O=C(C[N@H+]1CCc2c(O)cccc2C1)Nc1cccc2ccccc21 ZINC001196716493 1135599904 /nfs/dbraw/zinc/59/99/04/1135599904.db2.gz NJMWTRYXDFLAAV-UHFFFAOYSA-N 1 2 332.403 3.542 20 0 EHADLO O=C(C[N@@H+]1CCc2c(O)cccc2C1)Nc1cccc2ccccc21 ZINC001196716493 1135599909 /nfs/dbraw/zinc/59/99/09/1135599909.db2.gz NJMWTRYXDFLAAV-UHFFFAOYSA-N 1 2 332.403 3.542 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000808138231 1135622725 /nfs/dbraw/zinc/62/27/25/1135622725.db2.gz JJOLLRKWFRTARB-MRXNPFEDSA-N 1 2 344.377 3.623 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000808138231 1135622727 /nfs/dbraw/zinc/62/27/27/1135622727.db2.gz JJOLLRKWFRTARB-MRXNPFEDSA-N 1 2 344.377 3.623 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(F)(c3ccccc3OC)CC2)C1 ZINC000808184228 1135627317 /nfs/dbraw/zinc/62/73/17/1135627317.db2.gz YWVODCVDNOKQSX-LJQANCHMSA-N 1 2 348.462 3.562 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(=S)s1 ZINC000747465746 1135630983 /nfs/dbraw/zinc/63/09/83/1135630983.db2.gz AQXRZJOWSLXZID-DZGCQCFKSA-N 1 2 349.525 3.983 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(=S)s1 ZINC000747465746 1135630985 /nfs/dbraw/zinc/63/09/85/1135630985.db2.gz AQXRZJOWSLXZID-DZGCQCFKSA-N 1 2 349.525 3.983 20 0 EHADLO S=c1oc(Cc2cccs2)nn1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808229996 1135633260 /nfs/dbraw/zinc/63/32/60/1135633260.db2.gz FCUXROGCDUXVGX-CYBMUJFWSA-N 1 2 335.498 3.937 20 0 EHADLO S=c1oc(Cc2cccs2)nn1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808229996 1135633264 /nfs/dbraw/zinc/63/32/64/1135633264.db2.gz FCUXROGCDUXVGX-CYBMUJFWSA-N 1 2 335.498 3.937 20 0 EHADLO CCCOc1cncc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001131180639 1135634573 /nfs/dbraw/zinc/63/45/73/1135634573.db2.gz ZXCBFMRPIPGAKT-QGZVFWFLSA-N 1 2 347.846 3.765 20 0 EHADLO CC1(C)C[N@H+](CN2C(=O)C[C@@H]2c2ccccc2)Cc2ccccc2O1 ZINC000808236745 1135639134 /nfs/dbraw/zinc/63/91/34/1135639134.db2.gz LXVPTRMNCUBYCE-GOSISDBHSA-N 1 2 336.435 3.591 20 0 EHADLO CC1(C)C[N@@H+](CN2C(=O)C[C@@H]2c2ccccc2)Cc2ccccc2O1 ZINC000808236745 1135639136 /nfs/dbraw/zinc/63/91/36/1135639136.db2.gz LXVPTRMNCUBYCE-GOSISDBHSA-N 1 2 336.435 3.591 20 0 EHADLO CCNc1cc(CNC(=O)Nc2cc(C)c(Cl)cc2OC)cc[nH+]1 ZINC001197608782 1135708216 /nfs/dbraw/zinc/70/82/16/1135708216.db2.gz LIPMIPSLKJMDAN-UHFFFAOYSA-N 1 2 348.834 3.806 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001197718971 1135724194 /nfs/dbraw/zinc/72/41/94/1135724194.db2.gz BYOKJTVEMRAYCV-ZFWWWQNUSA-N 1 2 345.336 3.657 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001197718971 1135724198 /nfs/dbraw/zinc/72/41/98/1135724198.db2.gz BYOKJTVEMRAYCV-ZFWWWQNUSA-N 1 2 345.336 3.657 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001198165904 1135781254 /nfs/dbraw/zinc/78/12/54/1135781254.db2.gz VPBVEJSDOWFMCT-JTQLQIEISA-N 1 2 326.202 3.912 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001198165904 1135781259 /nfs/dbraw/zinc/78/12/59/1135781259.db2.gz VPBVEJSDOWFMCT-JTQLQIEISA-N 1 2 326.202 3.912 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000775871169 1135833375 /nfs/dbraw/zinc/83/33/75/1135833375.db2.gz GPGKHKDKLFRHCJ-CQSZACIVSA-N 1 2 340.196 3.521 20 0 EHADLO CC(C)c1ccc(NC(=S)NCc2c[nH+]cn2CC2CC2)cc1 ZINC001198642507 1135841765 /nfs/dbraw/zinc/84/17/65/1135841765.db2.gz BZYLOMBNFSNNSG-UHFFFAOYSA-N 1 2 328.485 3.903 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1cc(F)ccc1F ZINC001198685494 1135846868 /nfs/dbraw/zinc/84/68/68/1135846868.db2.gz LSEDBOSEVCUFBG-AWEZNQCLSA-N 1 2 347.283 3.529 20 0 EHADLO Cc1[nH+]c2c(NC(=S)Nc3ccc(N(C)C)cc3)cccn2c1C ZINC001198736109 1135849540 /nfs/dbraw/zinc/84/95/40/1135849540.db2.gz MIKAULSXHDPGLC-UHFFFAOYSA-N 1 2 339.468 3.826 20 0 EHADLO Brc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)ccn1 ZINC001198704997 1135850603 /nfs/dbraw/zinc/85/06/03/1135850603.db2.gz GBTSBCVUWNMDMB-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)ccn1 ZINC001198704997 1135850608 /nfs/dbraw/zinc/85/06/08/1135850608.db2.gz GBTSBCVUWNMDMB-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO C[C@@H]1C[C@@H](OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC(C)(C)C1 ZINC001131782203 1135859582 /nfs/dbraw/zinc/85/95/82/1135859582.db2.gz JPUMAOVLKMQEDM-QRQLOZEOSA-N 1 2 345.483 3.645 20 0 EHADLO C[C@@H]1C[C@@H](OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC(C)(C)C1 ZINC001131782203 1135859586 /nfs/dbraw/zinc/85/95/86/1135859586.db2.gz JPUMAOVLKMQEDM-QRQLOZEOSA-N 1 2 345.483 3.645 20 0 EHADLO COc1nsc(C[NH2+]Cc2ccccc2OC(F)F)c1Cl ZINC001199084270 1135879775 /nfs/dbraw/zinc/87/97/75/1135879775.db2.gz BMUTYWFMFVQDGU-UHFFFAOYSA-N 1 2 334.775 3.696 20 0 EHADLO CC[C@H](CSC)[N@H+](C)Cc1nc2ccccn2c1Br ZINC000809767689 1135879907 /nfs/dbraw/zinc/87/99/07/1135879907.db2.gz RHCZJQXDNQEXMX-LLVKDONJSA-N 1 2 342.306 3.670 20 0 EHADLO CC[C@H](CSC)[N@@H+](C)Cc1nc2ccccn2c1Br ZINC000809767689 1135879909 /nfs/dbraw/zinc/87/99/09/1135879909.db2.gz RHCZJQXDNQEXMX-LLVKDONJSA-N 1 2 342.306 3.670 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccsc1Cl ZINC000809771569 1135880619 /nfs/dbraw/zinc/88/06/19/1135880619.db2.gz MCHHIXRKGCKEEC-JQWIXIFHSA-N 1 2 330.881 3.889 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccsc1Cl ZINC000809771569 1135880621 /nfs/dbraw/zinc/88/06/21/1135880621.db2.gz MCHHIXRKGCKEEC-JQWIXIFHSA-N 1 2 330.881 3.889 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)[C@H](C)CO ZINC000809745024 1135883897 /nfs/dbraw/zinc/88/38/97/1135883897.db2.gz CIKIBRYZKDHJNI-CQSZACIVSA-N 1 2 335.879 3.521 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)[C@H](C)CO ZINC000809745024 1135883900 /nfs/dbraw/zinc/88/39/00/1135883900.db2.gz CIKIBRYZKDHJNI-CQSZACIVSA-N 1 2 335.879 3.521 20 0 EHADLO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001199207799 1135886698 /nfs/dbraw/zinc/88/66/98/1135886698.db2.gz AOIDAFSBZHLURE-QGZVFWFLSA-N 1 2 340.427 3.733 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cnc(Cl)c(Cl)c1Cl ZINC001199331763 1135898732 /nfs/dbraw/zinc/89/87/32/1135898732.db2.gz OVMCQYKLSLXWIS-UHFFFAOYSA-N 1 2 341.585 3.942 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810128903 1135924708 /nfs/dbraw/zinc/92/47/08/1135924708.db2.gz BDJLACBNXSXNII-UONOGXRCSA-N 1 2 342.443 3.561 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)oc1C ZINC000810129208 1135924976 /nfs/dbraw/zinc/92/49/76/1135924976.db2.gz DKHUFPWWLFOPPY-CQSZACIVSA-N 1 2 327.428 3.659 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000810229581 1135941531 /nfs/dbraw/zinc/94/15/31/1135941531.db2.gz YZMDHEKRQGDJBO-INIZCTEOSA-N 1 2 348.406 3.902 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810262562 1135944638 /nfs/dbraw/zinc/94/46/38/1135944638.db2.gz SPQCRBYQHYOWMA-KSSFIOAISA-N 1 2 338.455 3.655 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000810550971 1135971439 /nfs/dbraw/zinc/97/14/39/1135971439.db2.gz KACHFXCXYDKBQG-SNPRPXQTSA-N 1 2 346.368 3.571 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000810550971 1135971441 /nfs/dbraw/zinc/97/14/41/1135971441.db2.gz KACHFXCXYDKBQG-SNPRPXQTSA-N 1 2 346.368 3.571 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccc(Cl)s1 ZINC000810554440 1135971931 /nfs/dbraw/zinc/97/19/31/1135971931.db2.gz RHMVTBWUTGIMIR-UHFFFAOYSA-N 1 2 346.839 3.932 20 0 EHADLO Cc1cc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)s1 ZINC000810555134 1135971946 /nfs/dbraw/zinc/97/19/46/1135971946.db2.gz WXGFBJAIPMGSQC-UHFFFAOYSA-N 1 2 340.448 3.896 20 0 EHADLO CC(C)(C)SCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810582008 1135978498 /nfs/dbraw/zinc/97/84/98/1135978498.db2.gz DEZAJBLOAJLRKG-UHFFFAOYSA-N 1 2 332.469 3.549 20 0 EHADLO CCc1ccccc1NC(=S)N1CCCN(c2cccc[nH+]2)CC1 ZINC001201137657 1135987764 /nfs/dbraw/zinc/98/77/64/1135987764.db2.gz DQYVNGKTYOVUEJ-UHFFFAOYSA-N 1 2 340.496 3.553 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201166814 1135990530 /nfs/dbraw/zinc/99/05/30/1135990530.db2.gz UEJIOWNEOIFZHW-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001132408177 1135997066 /nfs/dbraw/zinc/99/70/66/1135997066.db2.gz CVDHWZGWUPADQK-COPCDDAFSA-N 1 2 348.490 3.948 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001132408177 1135997069 /nfs/dbraw/zinc/99/70/69/1135997069.db2.gz CVDHWZGWUPADQK-COPCDDAFSA-N 1 2 348.490 3.948 20 0 EHADLO C[C@@H]1CC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000810693244 1135997664 /nfs/dbraw/zinc/99/76/64/1135997664.db2.gz WBWMCGGNGJBJKM-JTDSTZFVSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1cc(C)c(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c[nH+]1 ZINC001201238196 1135997788 /nfs/dbraw/zinc/99/77/88/1135997788.db2.gz YCKVSVZJVRLWED-UHFFFAOYSA-N 1 2 333.457 3.519 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(Cc2ccc(C(F)(F)F)cc2)n1 ZINC001201279564 1136000524 /nfs/dbraw/zinc/00/05/24/1136000524.db2.gz QVPMLIZUPTUXAL-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO COc1ccc(NC(=O)OC(C)(C)C)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201291498 1136001695 /nfs/dbraw/zinc/00/16/95/1136001695.db2.gz JEVGRZHACUUSCI-UHFFFAOYSA-N 1 2 330.388 3.763 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC001201330815 1136003484 /nfs/dbraw/zinc/00/34/84/1136003484.db2.gz BCCLWQVXRVPCJX-UHFFFAOYSA-N 1 2 328.460 3.662 20 0 EHADLO Nc1ccc(Nc2cc(F)c(N3CCC(F)(F)CC3)c(F)c2)c[nH+]1 ZINC001201300815 1136004602 /nfs/dbraw/zinc/00/46/02/1136004602.db2.gz XIJTZCFTQFIDOH-UHFFFAOYSA-N 1 2 340.324 3.921 20 0 EHADLO Cc1cc(NCc2ccc(C(=O)NC3CC3)cc2)ccc1-n1cc[nH+]c1 ZINC001201357753 1136008309 /nfs/dbraw/zinc/00/83/09/1136008309.db2.gz TXVXYRVHLBOODF-UHFFFAOYSA-N 1 2 346.434 3.685 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(-c2cscn2)c1 ZINC001132623641 1136047016 /nfs/dbraw/zinc/04/70/16/1136047016.db2.gz STDRXGKOWSZCMP-IBGZPJMESA-N 1 2 349.459 3.727 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(-c2cscn2)c1 ZINC001132623641 1136047020 /nfs/dbraw/zinc/04/70/20/1136047020.db2.gz STDRXGKOWSZCMP-IBGZPJMESA-N 1 2 349.459 3.727 20 0 EHADLO CCc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000811328421 1136074608 /nfs/dbraw/zinc/07/46/08/1136074608.db2.gz PUFWCNJSVNZVDJ-UHFFFAOYSA-N 1 2 334.419 3.780 20 0 EHADLO O=C(Cc1cccc(Cl)c1F)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000811334315 1136075199 /nfs/dbraw/zinc/07/51/99/1136075199.db2.gz ZUINPUWFQPCMQB-UHFFFAOYSA-N 1 2 344.773 3.951 20 0 EHADLO Cc1ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001202233117 1136118119 /nfs/dbraw/zinc/11/81/19/1136118119.db2.gz GETRCOXTYSVENK-GASCZTMLSA-N 1 2 329.419 3.755 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)CC1 ZINC000811749503 1136129405 /nfs/dbraw/zinc/12/94/05/1136129405.db2.gz VJBHEUPEVATWTQ-GOSISDBHSA-N 1 2 339.483 3.997 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)CC1 ZINC000811749503 1136129408 /nfs/dbraw/zinc/12/94/08/1136129408.db2.gz VJBHEUPEVATWTQ-GOSISDBHSA-N 1 2 339.483 3.997 20 0 EHADLO CCC1(CC)CC[N@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000811754393 1136136093 /nfs/dbraw/zinc/13/60/93/1136136093.db2.gz HRKONAQYKLJALG-UHFFFAOYSA-N 1 2 339.483 3.997 20 0 EHADLO CCC1(CC)CC[N@@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000811754393 1136136095 /nfs/dbraw/zinc/13/60/95/1136136095.db2.gz HRKONAQYKLJALG-UHFFFAOYSA-N 1 2 339.483 3.997 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CCCc3ccccc3C2)c(N(C)C)[nH+]1 ZINC001202405069 1136137454 /nfs/dbraw/zinc/13/74/54/1136137454.db2.gz PPYUSWDZOPZXFE-KRWDZBQOSA-N 1 2 338.455 3.525 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(N(C)C)[nH+]1 ZINC001202397737 1136142525 /nfs/dbraw/zinc/14/25/25/1136142525.db2.gz WMEVPDUSALETNZ-OWCLPIDISA-N 1 2 330.476 3.936 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867618 1136154496 /nfs/dbraw/zinc/15/44/96/1136154496.db2.gz ZSWSACMNLHIXDI-AAEUAGOBSA-N 1 2 326.387 3.625 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867618 1136154497 /nfs/dbraw/zinc/15/44/97/1136154497.db2.gz ZSWSACMNLHIXDI-AAEUAGOBSA-N 1 2 326.387 3.625 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C[C@@H]2CCC[C@H](C)C2)OC)c1C ZINC000812017742 1136164353 /nfs/dbraw/zinc/16/43/53/1136164353.db2.gz JYXLQFFILBQCKP-XJKSGUPXSA-N 1 2 349.475 3.606 20 0 EHADLO CC[N@H+](Cn1ccn(-c2ccc(C)c(C)c2)c1=S)[C@@H]1CCOC1 ZINC000812298769 1136196623 /nfs/dbraw/zinc/19/66/23/1136196623.db2.gz RZFPYBHMHKLWMP-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2ccc(C)c(C)c2)c1=S)[C@@H]1CCOC1 ZINC000812298769 1136196626 /nfs/dbraw/zinc/19/66/26/1136196626.db2.gz RZFPYBHMHKLWMP-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO COc1ccccc1/C=C(\C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000747783791 1136196741 /nfs/dbraw/zinc/19/67/41/1136196741.db2.gz VPILYBPPEUQQLS-UNOMPAQXSA-N 1 2 348.402 3.713 20 0 EHADLO CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000812420201 1136205018 /nfs/dbraw/zinc/20/50/18/1136205018.db2.gz VIJMSRATBAORFT-SJLPKXTDSA-N 1 2 341.455 3.761 20 0 EHADLO Cn1c(C[NH2+]Cc2cccc(OC3CC3)c2F)nc2cc(F)ccc21 ZINC000850144085 1136214569 /nfs/dbraw/zinc/21/45/69/1136214569.db2.gz HUIRVJHUGKTHDV-UHFFFAOYSA-N 1 2 343.377 3.683 20 0 EHADLO S=C(NCCCn1cc[nH+]c1)Nc1cc(Cl)cc(Cl)c1 ZINC000007318248 1136220194 /nfs/dbraw/zinc/22/01/94/1136220194.db2.gz YGRPOTKVCOHXBE-UHFFFAOYSA-N 1 2 329.256 3.567 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1cscn1 ZINC000850512163 1136273769 /nfs/dbraw/zinc/27/37/69/1136273769.db2.gz XACBGAFNIUXERZ-NXEZZACHSA-N 1 2 346.424 3.551 20 0 EHADLO FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534565 1136280930 /nfs/dbraw/zinc/28/09/30/1136280930.db2.gz OHLCTVLZKHDROG-FMKPAKJESA-N 1 2 331.353 3.657 20 0 EHADLO CC(C)CCc1noc(CO[NH+]=C(N)c2cccc3ccccc32)n1 ZINC000747834600 1136281360 /nfs/dbraw/zinc/28/13/60/1136281360.db2.gz YEMJIFCDNTUOEX-UHFFFAOYSA-N 1 2 338.411 3.858 20 0 EHADLO Cc1ccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c(N(C)C)[nH+]1 ZINC000813082428 1136290035 /nfs/dbraw/zinc/29/00/35/1136290035.db2.gz BFKNODACPFGRJI-UHFFFAOYSA-N 1 2 337.423 3.617 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2cc(C)[nH+]c(OC(F)F)c2)CC1 ZINC001170703225 1136315182 /nfs/dbraw/zinc/31/51/82/1136315182.db2.gz YPHSTRPTEFXVFY-JOCQHMNTSA-N 1 2 342.386 3.915 20 0 EHADLO COCCCn1nccc1C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000338932391 1136348268 /nfs/dbraw/zinc/34/82/68/1136348268.db2.gz CMMWXRRJPPQKJJ-UHFFFAOYSA-N 1 2 345.874 3.862 20 0 EHADLO COCCCn1nccc1C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000338932391 1136348271 /nfs/dbraw/zinc/34/82/71/1136348271.db2.gz CMMWXRRJPPQKJJ-UHFFFAOYSA-N 1 2 345.874 3.862 20 0 EHADLO CCc1oc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1C(=O)OC ZINC000338934177 1136357680 /nfs/dbraw/zinc/35/76/80/1136357680.db2.gz PGMSBEVCCXRGAO-UHFFFAOYSA-N 1 2 349.814 3.507 20 0 EHADLO O=C(/C=C\c1ccsc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398047 1136376061 /nfs/dbraw/zinc/37/60/61/1136376061.db2.gz OKTUNYQKCAEVQN-PLNGDYQASA-N 1 2 328.437 3.616 20 0 EHADLO CCS[C@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000851398524 1136376426 /nfs/dbraw/zinc/37/64/26/1136376426.db2.gz BJDLGCUJWCJIAX-KRWDZBQOSA-N 1 2 336.501 3.619 20 0 EHADLO CCc1nc(C)c(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000814067513 1136397381 /nfs/dbraw/zinc/39/73/81/1136397381.db2.gz INEMBLODXBBOBE-KRWDZBQOSA-N 1 2 342.439 3.643 20 0 EHADLO CCc1nc(C)c(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000814067513 1136397385 /nfs/dbraw/zinc/39/73/85/1136397385.db2.gz INEMBLODXBBOBE-KRWDZBQOSA-N 1 2 342.439 3.643 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000851765337 1136406229 /nfs/dbraw/zinc/40/62/29/1136406229.db2.gz SHTLNSYTMLEKMQ-SJKOYZFVSA-N 1 2 348.878 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000851980354 1136424926 /nfs/dbraw/zinc/42/49/26/1136424926.db2.gz GCIJXVWVNNDTIN-LJQANCHMSA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000851980354 1136424930 /nfs/dbraw/zinc/42/49/30/1136424930.db2.gz GCIJXVWVNNDTIN-LJQANCHMSA-N 1 2 347.459 3.527 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226125 1136425718 /nfs/dbraw/zinc/42/57/18/1136425718.db2.gz PETXTEIMFHOWHH-HXUWFJFHSA-N 1 2 345.446 3.747 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226125 1136425720 /nfs/dbraw/zinc/42/57/20/1136425720.db2.gz PETXTEIMFHOWHH-HXUWFJFHSA-N 1 2 345.446 3.747 20 0 EHADLO C[C@H](O)c1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000814238511 1136427796 /nfs/dbraw/zinc/42/77/96/1136427796.db2.gz SWYLVZLVEVHSDB-AWEZNQCLSA-N 1 2 325.387 3.736 20 0 EHADLO COCc1ccccc1C=C(C)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000814291575 1136434888 /nfs/dbraw/zinc/43/48/88/1136434888.db2.gz PZNJLJFZSDMOKZ-VBKFSLOCSA-N 1 2 348.450 3.811 20 0 EHADLO COCc1ccccc1C=C(C)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000814291575 1136434890 /nfs/dbraw/zinc/43/48/90/1136434890.db2.gz PZNJLJFZSDMOKZ-VBKFSLOCSA-N 1 2 348.450 3.811 20 0 EHADLO FC(F)OCC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000852156817 1136437046 /nfs/dbraw/zinc/43/70/46/1136437046.db2.gz RSJCXGDGMLLPQD-ZDUSSCGKSA-N 1 2 329.778 3.983 20 0 EHADLO FC(F)OCC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000852156817 1136437048 /nfs/dbraw/zinc/43/70/48/1136437048.db2.gz RSJCXGDGMLLPQD-ZDUSSCGKSA-N 1 2 329.778 3.983 20 0 EHADLO CCCCCC[C@@H](CC)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000852266764 1136444145 /nfs/dbraw/zinc/44/41/45/1136444145.db2.gz STCLBBVLRZFFCD-SJORKVTESA-N 1 2 334.508 3.836 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CCCC23CCCCC3)C1 ZINC000852424302 1136455252 /nfs/dbraw/zinc/45/52/52/1136455252.db2.gz BSJFWGFXEZBEPP-IRXDYDNUSA-N 1 2 344.503 3.812 20 0 EHADLO C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000852681144 1136477168 /nfs/dbraw/zinc/47/71/68/1136477168.db2.gz LVHOTISCHAFVTB-DOTOQJQBSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)[nH]1 ZINC000814619550 1136480719 /nfs/dbraw/zinc/48/07/19/1136480719.db2.gz QCBCNUUZLGUABD-UHFFFAOYSA-N 1 2 337.471 3.963 20 0 EHADLO Clc1cnc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cn1 ZINC000852729971 1136481195 /nfs/dbraw/zinc/48/11/95/1136481195.db2.gz MJGVRPNFUSHDRQ-UHFFFAOYSA-N 1 2 327.815 3.570 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000852731452 1136481947 /nfs/dbraw/zinc/48/19/47/1136481947.db2.gz JNNZHDJDIHZZEC-HOTGVXAUSA-N 1 2 337.851 3.694 20 0 EHADLO COC(=O)NC1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000852764222 1136484391 /nfs/dbraw/zinc/48/43/91/1136484391.db2.gz GMZQVWXJXDPPSC-UHFFFAOYSA-N 1 2 337.489 3.511 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H](c2ccccc2)C(F)F)C1 ZINC000814650418 1136485549 /nfs/dbraw/zinc/48/55/49/1136485549.db2.gz RKFHJXPMUCANFB-UKRRQHHQSA-N 1 2 340.414 3.839 20 0 EHADLO Clc1nc2ccccc2cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000110871545 1136487495 /nfs/dbraw/zinc/48/74/95/1136487495.db2.gz SUCTYJPDXLGWOZ-INIZCTEOSA-N 1 2 332.831 3.616 20 0 EHADLO Clc1nc2ccccc2cc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000110871545 1136487498 /nfs/dbraw/zinc/48/74/98/1136487498.db2.gz SUCTYJPDXLGWOZ-INIZCTEOSA-N 1 2 332.831 3.616 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1ccccc1C1CC1)C[NH2+]C2(C)C ZINC001170760300 1136498857 /nfs/dbraw/zinc/49/88/57/1136498857.db2.gz GQDBXYSVZHUBPZ-UHFFFAOYSA-N 1 2 340.427 3.847 20 0 EHADLO CC1(C)C[C@]1([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000853091436 1136507696 /nfs/dbraw/zinc/50/76/96/1136507696.db2.gz HWTXZOXLQATKIH-SFHVURJKSA-N 1 2 330.453 3.604 20 0 EHADLO CC1(C)C[C@@]1([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000853091435 1136507940 /nfs/dbraw/zinc/50/79/40/1136507940.db2.gz HWTXZOXLQATKIH-GOSISDBHSA-N 1 2 330.453 3.604 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000111165287 1136517368 /nfs/dbraw/zinc/51/73/68/1136517368.db2.gz XRNGPUJZACFISS-CYBMUJFWSA-N 1 2 331.489 3.746 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000111165287 1136517371 /nfs/dbraw/zinc/51/73/71/1136517371.db2.gz XRNGPUJZACFISS-CYBMUJFWSA-N 1 2 331.489 3.746 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1C1CC1 ZINC000111171468 1136519195 /nfs/dbraw/zinc/51/91/95/1136519195.db2.gz RGLBETIOMNGRCM-AWEZNQCLSA-N 1 2 348.903 3.929 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1C1CC1 ZINC000111171468 1136519197 /nfs/dbraw/zinc/51/91/97/1136519197.db2.gz RGLBETIOMNGRCM-AWEZNQCLSA-N 1 2 348.903 3.929 20 0 EHADLO COc1ccc(Nc2nn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)cc1 ZINC000853575983 1136545631 /nfs/dbraw/zinc/54/56/31/1136545631.db2.gz BOPDMPBVYQNMRK-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO COc1ccc(Nc2nn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)cc1 ZINC000853575983 1136545633 /nfs/dbraw/zinc/54/56/33/1136545633.db2.gz BOPDMPBVYQNMRK-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO CCCCCC[C@H](CC)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000747992781 1136547900 /nfs/dbraw/zinc/54/79/00/1136547900.db2.gz WXLGUIFISVJDKP-OALUTQOASA-N 1 2 338.536 3.696 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccn(C(C)C)c2C)n1 ZINC000815094135 1136555109 /nfs/dbraw/zinc/55/51/09/1136555109.db2.gz FZTDOGFEGKHGPG-UHFFFAOYSA-N 1 2 334.489 3.928 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3c(F)cc(F)cc3F)c1)O[C@@H](C)C2 ZINC000815151772 1136557215 /nfs/dbraw/zinc/55/72/15/1136557215.db2.gz CMCWQHYOPSZREB-JTQLQIEISA-N 1 2 337.341 3.726 20 0 EHADLO CCC(O)(CC)C(C)(C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853774659 1136562777 /nfs/dbraw/zinc/56/27/77/1136562777.db2.gz JHDJHWKSXLOVCI-UHFFFAOYSA-N 1 2 333.480 3.571 20 0 EHADLO CCCC[C@](C)(F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344208 1136609382 /nfs/dbraw/zinc/60/93/82/1136609382.db2.gz SYXFSYHJMUDIEH-BEFAXECRSA-N 1 2 335.467 3.844 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1[C@@H]1CCCOCC1 ZINC001170816275 1136689711 /nfs/dbraw/zinc/68/97/11/1136689711.db2.gz AXMHZMNBBBTOOL-SJLPKXTDSA-N 1 2 344.480 3.753 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1[C@@H]1CCCOCC1 ZINC001170816275 1136689712 /nfs/dbraw/zinc/68/97/12/1136689712.db2.gz AXMHZMNBBBTOOL-SJLPKXTDSA-N 1 2 344.480 3.753 20 0 EHADLO CC[C@H]([NH2+]Cc1nonc1C)c1cc(F)cc(Br)c1 ZINC000776840262 1136736382 /nfs/dbraw/zinc/73/63/82/1136736382.db2.gz XNYHSQGLURXVAD-LBPRGKRZSA-N 1 2 328.185 3.521 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000816832144 1136755917 /nfs/dbraw/zinc/75/59/17/1136755917.db2.gz QUMVIVRBPBPDJX-UHFFFAOYSA-N 1 2 338.436 3.593 20 0 EHADLO Cc1ccc(O)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835495 1136755944 /nfs/dbraw/zinc/75/59/44/1136755944.db2.gz IQOLYNYJUYXXCW-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(O)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835495 1136755946 /nfs/dbraw/zinc/75/59/46/1136755946.db2.gz IQOLYNYJUYXXCW-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc2[nH+]ccn21 ZINC000776885118 1136782816 /nfs/dbraw/zinc/78/28/16/1136782816.db2.gz SGIPRSAGKGFMDK-UHFFFAOYSA-N 1 2 345.324 3.772 20 0 EHADLO O=C(Nc1ccc(OCc2cccnc2)cc1)c1cccc2[nH+]ccn21 ZINC000776889327 1136787402 /nfs/dbraw/zinc/78/74/02/1136787402.db2.gz BCTUXPULNNXKCQ-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000817289384 1136791204 /nfs/dbraw/zinc/79/12/04/1136791204.db2.gz YASYXEFOESSFOY-WDEREUQCSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000817289384 1136791207 /nfs/dbraw/zinc/79/12/07/1136791207.db2.gz YASYXEFOESSFOY-WDEREUQCSA-N 1 2 330.881 3.596 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)c(Cl)n1 ZINC000856781604 1136810704 /nfs/dbraw/zinc/81/07/04/1136810704.db2.gz UVJSTLACMCBHIG-LLVKDONJSA-N 1 2 346.645 3.994 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCCCCCC2)CC1 ZINC000114781106 1136833093 /nfs/dbraw/zinc/83/30/93/1136833093.db2.gz RNOARVMREVVZDF-KRWDZBQOSA-N 1 2 344.503 3.583 20 0 EHADLO COCc1csc(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000857043466 1136835949 /nfs/dbraw/zinc/83/59/49/1136835949.db2.gz BPCFVTNGBQOBGV-GOSISDBHSA-N 1 2 345.464 3.602 20 0 EHADLO COCc1csc(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000857043466 1136835952 /nfs/dbraw/zinc/83/59/52/1136835952.db2.gz BPCFVTNGBQOBGV-GOSISDBHSA-N 1 2 345.464 3.602 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000339003669 1136865224 /nfs/dbraw/zinc/86/52/24/1136865224.db2.gz MAJFTTIPODMSHZ-OAHLLOKOSA-N 1 2 344.405 3.792 20 0 EHADLO CCC(CC)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000818629954 1136886613 /nfs/dbraw/zinc/88/66/13/1136886613.db2.gz HLRMFXQMAWNZEC-QGZVFWFLSA-N 1 2 332.488 3.520 20 0 EHADLO CCC(CC)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000818629954 1136886615 /nfs/dbraw/zinc/88/66/15/1136886615.db2.gz HLRMFXQMAWNZEC-QGZVFWFLSA-N 1 2 332.488 3.520 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512120 1136903491 /nfs/dbraw/zinc/90/34/91/1136903491.db2.gz MGNQYKZMTVNBQB-OCCSQVGLSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512120 1136903495 /nfs/dbraw/zinc/90/34/95/1136903495.db2.gz MGNQYKZMTVNBQB-OCCSQVGLSA-N 1 2 334.514 3.576 20 0 EHADLO Cc1cccc(CN(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001136184544 1136909771 /nfs/dbraw/zinc/90/97/71/1136909771.db2.gz VHVRWCUOBFMNGZ-LJQANCHMSA-N 1 2 333.435 3.899 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCc3ccc4ccccc4c3)ccn12 ZINC001136191925 1136912489 /nfs/dbraw/zinc/91/24/89/1136912489.db2.gz GSSCWXLSMBGDCF-UHFFFAOYSA-N 1 2 329.403 3.768 20 0 EHADLO COc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1OC1CCCC1 ZINC000857854655 1136913365 /nfs/dbraw/zinc/91/33/65/1136913365.db2.gz PAMIRMGCUVVMDE-QGZVFWFLSA-N 1 2 341.455 3.907 20 0 EHADLO COc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1OC1CCCC1 ZINC000857854655 1136913368 /nfs/dbraw/zinc/91/33/68/1136913368.db2.gz PAMIRMGCUVVMDE-QGZVFWFLSA-N 1 2 341.455 3.907 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857934821 1136924061 /nfs/dbraw/zinc/92/40/61/1136924061.db2.gz BIXADPJVYQAJRS-QGZVFWFLSA-N 1 2 341.455 3.587 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(Cc2cccs2)CCCCC1 ZINC000857978133 1136927012 /nfs/dbraw/zinc/92/70/12/1136927012.db2.gz KRULALJYAXYAPO-HNNXBMFYSA-N 1 2 329.469 3.699 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984567 1136927173 /nfs/dbraw/zinc/92/71/73/1136927173.db2.gz CEOXDHPFMYRKIN-FZMZJTMJSA-N 1 2 337.345 3.657 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984564 1136927216 /nfs/dbraw/zinc/92/72/16/1136927216.db2.gz CEOXDHPFMYRKIN-BXUZGUMPSA-N 1 2 337.345 3.657 20 0 EHADLO CC(C)(CC(=O)N[C@@H]1CCn2c[nH+]cc21)Cc1ccc(Cl)cc1 ZINC000857982936 1136927382 /nfs/dbraw/zinc/92/73/82/1136927382.db2.gz STLSFYDORFSHEP-OAHLLOKOSA-N 1 2 331.847 3.757 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@@H](C)c1ccc(F)cc1F)CCN2 ZINC000857999498 1136928285 /nfs/dbraw/zinc/92/82/85/1136928285.db2.gz FWHQOYSQUXQXKB-GFCCVEGCSA-N 1 2 331.366 3.621 20 0 EHADLO Cc1nc(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)c(C)[nH+]1 ZINC000858009570 1136928969 /nfs/dbraw/zinc/92/89/69/1136928969.db2.gz XHDFCQDQAWCYDQ-SFHVURJKSA-N 1 2 338.455 3.722 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(F)cn1 ZINC000858011041 1136929466 /nfs/dbraw/zinc/92/94/66/1136929466.db2.gz POSCSCZPJFZLPC-MRXNPFEDSA-N 1 2 345.393 3.676 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(F)cn1 ZINC000858011041 1136929469 /nfs/dbraw/zinc/92/94/69/1136929469.db2.gz POSCSCZPJFZLPC-MRXNPFEDSA-N 1 2 345.393 3.676 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)oc1C ZINC000858016294 1136931330 /nfs/dbraw/zinc/93/13/30/1136931330.db2.gz KVLUQENJBLKVEG-QGZVFWFLSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)oc1C ZINC000858016294 1136931331 /nfs/dbraw/zinc/93/13/31/1136931331.db2.gz KVLUQENJBLKVEG-QGZVFWFLSA-N 1 2 327.428 3.607 20 0 EHADLO COc1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)ccc1Cl ZINC000858103392 1136940241 /nfs/dbraw/zinc/94/02/41/1136940241.db2.gz QPNJPBRZHBTDRF-UHFFFAOYSA-N 1 2 346.858 3.922 20 0 EHADLO Cn1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c(Br)n1 ZINC000858145200 1136943703 /nfs/dbraw/zinc/94/37/03/1136943703.db2.gz YXTJKSGGIQHHGL-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)cn1 ZINC000858222813 1136950653 /nfs/dbraw/zinc/95/06/53/1136950653.db2.gz SIAWOSKCULHDER-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000820018318 1136970512 /nfs/dbraw/zinc/97/05/12/1136970512.db2.gz PNWHAMKPAKEMAA-ZFWWWQNUSA-N 1 2 342.468 3.957 20 0 EHADLO CON(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1C ZINC000820033375 1136973917 /nfs/dbraw/zinc/97/39/17/1136973917.db2.gz JXFUEXLXGDSTNT-INIZCTEOSA-N 1 2 335.407 3.946 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2ccccc2F)ccc1=O)C(C)C ZINC000116256327 1136986622 /nfs/dbraw/zinc/98/66/22/1136986622.db2.gz MSHDLQXWVBWFOE-UHFFFAOYSA-N 1 2 331.435 3.908 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2ccccc2F)ccc1=O)C(C)C ZINC000116256327 1136986623 /nfs/dbraw/zinc/98/66/23/1136986623.db2.gz MSHDLQXWVBWFOE-UHFFFAOYSA-N 1 2 331.435 3.908 20 0 EHADLO C[C@@H](Nc1cc(N[C@H](C)c2ccns2)[nH+]cn1)c1ccns1 ZINC000858829881 1136993714 /nfs/dbraw/zinc/99/37/14/1136993714.db2.gz OODXKCHCPXAGHR-NXEZZACHSA-N 1 2 332.458 3.736 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2c(c1)CCO2 ZINC000805748432 1136994133 /nfs/dbraw/zinc/99/41/33/1136994133.db2.gz OFDNBPNMBXZQJS-MNOVXSKESA-N 1 2 348.244 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(C)CCC(F)(F)CC2)c1C ZINC000858927653 1136997293 /nfs/dbraw/zinc/99/72/93/1136997293.db2.gz QFRARLKNQQSSEU-UHFFFAOYSA-N 1 2 326.387 3.539 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NC[C@H](O)c1ccc2ccccc2c1 ZINC000820659100 1137000081 /nfs/dbraw/zinc/00/00/81/1137000081.db2.gz UVSUFFCRPLNZQZ-SFHVURJKSA-N 1 2 349.434 3.970 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820858965 1137006935 /nfs/dbraw/zinc/00/69/35/1137006935.db2.gz CPSGPECDKHVKIF-RLLQIKCJSA-N 1 2 339.483 3.870 20 0 EHADLO Cc1ccccc1C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccco1 ZINC000820841446 1137008181 /nfs/dbraw/zinc/00/81/81/1137008181.db2.gz LGBPKNUNKGCHLM-KRWDZBQOSA-N 1 2 336.439 3.589 20 0 EHADLO C[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1Br ZINC000821341849 1137024239 /nfs/dbraw/zinc/02/42/39/1137024239.db2.gz GTIXHCOOVICGDW-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1Br ZINC000821341849 1137024237 /nfs/dbraw/zinc/02/42/37/1137024237.db2.gz GTIXHCOOVICGDW-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1oc2ccccc2c1CO ZINC001136459027 1137030842 /nfs/dbraw/zinc/03/08/42/1137030842.db2.gz DQHRXDXNCOJPKW-UHFFFAOYSA-N 1 2 333.347 3.568 20 0 EHADLO Cl/C=C(/Cl)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000859896814 1137036433 /nfs/dbraw/zinc/03/64/33/1137036433.db2.gz XBKGDZPOEFCWRC-UKTHLTGXSA-N 1 2 330.259 3.911 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136492240 1137036720 /nfs/dbraw/zinc/03/67/20/1137036720.db2.gz VMQSWVJVHRLIRH-OKILXGFUSA-N 1 2 343.393 3.853 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000860096154 1137043933 /nfs/dbraw/zinc/04/39/33/1137043933.db2.gz HLJSVQWQWDMYCO-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000860096154 1137043934 /nfs/dbraw/zinc/04/39/34/1137043934.db2.gz HLJSVQWQWDMYCO-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2c(F)cc(C)cc2F)C2CC2)cc1 ZINC000822443135 1137059679 /nfs/dbraw/zinc/05/96/79/1137059679.db2.gz OXIQLJVUMZDZBJ-UHFFFAOYSA-N 1 2 344.405 3.797 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2c(F)cc(C)cc2F)C2CC2)cc1 ZINC000822443135 1137059680 /nfs/dbraw/zinc/05/96/80/1137059680.db2.gz OXIQLJVUMZDZBJ-UHFFFAOYSA-N 1 2 344.405 3.797 20 0 EHADLO O=C(/C=C/C1CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000117615491 1137068233 /nfs/dbraw/zinc/06/82/33/1137068233.db2.gz BDCMZGBJELYTPG-MDZDMXLPSA-N 1 2 327.472 3.825 20 0 EHADLO CCO[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000860747587 1137076524 /nfs/dbraw/zinc/07/65/24/1137076524.db2.gz GGZFVFUOPLHJES-SFHVURJKSA-N 1 2 340.423 3.607 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCn2c(Cl)ccc2[C@@H]1C)n1cc[nH+]c1 ZINC000822974150 1137081386 /nfs/dbraw/zinc/08/13/86/1137081386.db2.gz YRFUVKZSLCKTLQ-ZFWWWQNUSA-N 1 2 334.851 3.529 20 0 EHADLO CC/C(C)=C/C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000823091422 1137085039 /nfs/dbraw/zinc/08/50/39/1137085039.db2.gz ISEYLCBVFHCWFJ-FYWRMAATSA-N 1 2 337.427 3.618 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000117864332 1137085191 /nfs/dbraw/zinc/08/51/91/1137085191.db2.gz ZOXFLTQREPAUQX-KRWDZBQOSA-N 1 2 343.500 3.610 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000117864332 1137085192 /nfs/dbraw/zinc/08/51/92/1137085192.db2.gz ZOXFLTQREPAUQX-KRWDZBQOSA-N 1 2 343.500 3.610 20 0 EHADLO Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001136707915 1137095827 /nfs/dbraw/zinc/09/58/27/1137095827.db2.gz IABHSLTUDXRRAW-QZTJIDSGSA-N 1 2 347.418 3.930 20 0 EHADLO Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001136707915 1137095829 /nfs/dbraw/zinc/09/58/29/1137095829.db2.gz IABHSLTUDXRRAW-QZTJIDSGSA-N 1 2 347.418 3.930 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001136729234 1137102488 /nfs/dbraw/zinc/10/24/88/1137102488.db2.gz VOVWSAGVPZIULS-YWZLYKJASA-N 1 2 349.434 3.503 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001136729234 1137102490 /nfs/dbraw/zinc/10/24/90/1137102490.db2.gz VOVWSAGVPZIULS-YWZLYKJASA-N 1 2 349.434 3.503 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729014 1137102505 /nfs/dbraw/zinc/10/25/05/1137102505.db2.gz PEWPWWJXUWXFLV-VUBAQRPUSA-N 1 2 348.490 3.956 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000861401882 1137104701 /nfs/dbraw/zinc/10/47/01/1137104701.db2.gz GFMFGKPWLUYTBD-KWEXDPCDSA-N 1 2 346.477 3.558 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(OCC2CCCCC2)CC1 ZINC001136780951 1137114059 /nfs/dbraw/zinc/11/40/59/1137114059.db2.gz AZMGRNOYBCCTNV-UHFFFAOYSA-N 1 2 341.455 3.536 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000861613615 1137114587 /nfs/dbraw/zinc/11/45/87/1137114587.db2.gz YLRKRCODIZVGHY-UHFFFAOYSA-N 1 2 347.850 3.706 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000861626341 1137115338 /nfs/dbraw/zinc/11/53/38/1137115338.db2.gz OPZZLZHKWVDAEP-UHFFFAOYSA-N 1 2 342.443 3.918 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000861626341 1137115340 /nfs/dbraw/zinc/11/53/40/1137115340.db2.gz OPZZLZHKWVDAEP-UHFFFAOYSA-N 1 2 342.443 3.918 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)[C@@H]1C ZINC000118415251 1137116023 /nfs/dbraw/zinc/11/60/23/1137116023.db2.gz UIQUVEAENYZSTF-GHMZBOCLSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)[C@@H]1C ZINC000118415251 1137116025 /nfs/dbraw/zinc/11/60/25/1137116025.db2.gz UIQUVEAENYZSTF-GHMZBOCLSA-N 1 2 346.468 3.766 20 0 EHADLO CCn1nc(C)c(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000823943986 1137120348 /nfs/dbraw/zinc/12/03/48/1137120348.db2.gz REFYVXUSURVGDR-UHFFFAOYSA-N 1 2 338.377 3.794 20 0 EHADLO Oc1ccc2c(c1)C[C@@H](Nc1cc[nH+]c(OCc3ccccn3)c1)CC2 ZINC001171040953 1137121672 /nfs/dbraw/zinc/12/16/72/1137121672.db2.gz RKWYHFNPTDATOI-KRWDZBQOSA-N 1 2 347.418 3.731 20 0 EHADLO Cc1nc2c(ccn2C)c(NCCc2ccccc2C(F)(F)F)[nH+]1 ZINC001171038493 1137121747 /nfs/dbraw/zinc/12/17/47/1137121747.db2.gz AYXRIOUSUOSIAI-UHFFFAOYSA-N 1 2 334.345 3.950 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Br ZINC001136849665 1137131142 /nfs/dbraw/zinc/13/11/42/1137131142.db2.gz UALNWFGDIAGVKI-MEBBXXQBSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Br ZINC001136849665 1137131144 /nfs/dbraw/zinc/13/11/44/1137131144.db2.gz UALNWFGDIAGVKI-MEBBXXQBSA-N 1 2 346.215 3.728 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccnc(F)c1C ZINC000862213444 1137132298 /nfs/dbraw/zinc/13/22/98/1137132298.db2.gz PZYNDUGYXCUGQU-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccnc(F)c1C ZINC000862213444 1137132300 /nfs/dbraw/zinc/13/23/00/1137132300.db2.gz PZYNDUGYXCUGQU-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO Cn1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)c(Br)n1 ZINC000862211841 1137132475 /nfs/dbraw/zinc/13/24/75/1137132475.db2.gz CBBPNMZGQDPRPU-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1cc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c(Br)n1 ZINC000862211841 1137132476 /nfs/dbraw/zinc/13/24/76/1137132476.db2.gz CBBPNMZGQDPRPU-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO CC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000339039015 1137147561 /nfs/dbraw/zinc/14/75/61/1137147561.db2.gz FPMAKRXRGVDNAA-UHFFFAOYSA-N 1 2 329.356 3.528 20 0 EHADLO N#CN1CC[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1 ZINC001136947721 1137153953 /nfs/dbraw/zinc/15/39/53/1137153953.db2.gz NQOMDNPHLDMQGZ-UHFFFAOYSA-N 1 2 328.419 3.500 20 0 EHADLO Fc1cccc2[nH]cc(C[NH+]3CC4(CN(Cc5ccccc5)C4)C3)c21 ZINC001136985526 1137164640 /nfs/dbraw/zinc/16/46/40/1137164640.db2.gz KSPPRTLLASQMLP-UHFFFAOYSA-N 1 2 335.426 3.625 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136987063 1137164838 /nfs/dbraw/zinc/16/48/38/1137164838.db2.gz HGLAZGKEVCERIL-UHFFFAOYSA-N 1 2 343.446 3.532 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000339049275 1137166807 /nfs/dbraw/zinc/16/68/07/1137166807.db2.gz LKEZHVLIXJFFPC-INIZCTEOSA-N 1 2 339.483 3.816 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000339049275 1137166808 /nfs/dbraw/zinc/16/68/08/1137166808.db2.gz LKEZHVLIXJFFPC-INIZCTEOSA-N 1 2 339.483 3.816 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cnc(OC)c(C)c1 ZINC001137009353 1137170609 /nfs/dbraw/zinc/17/06/09/1137170609.db2.gz CGBBCBKCHVDOIT-GOSISDBHSA-N 1 2 326.440 3.882 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cnc(OC)c(C)c1 ZINC001137009353 1137170610 /nfs/dbraw/zinc/17/06/10/1137170610.db2.gz CGBBCBKCHVDOIT-GOSISDBHSA-N 1 2 326.440 3.882 20 0 EHADLO Clc1cccc(-n2cc(C[NH2+]Cc3ccsc3)nn2)c1Cl ZINC000339056428 1137186559 /nfs/dbraw/zinc/18/65/59/1137186559.db2.gz KRYXAGZERVHCCI-UHFFFAOYSA-N 1 2 339.251 3.925 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccco1 ZINC000863482034 1137188701 /nfs/dbraw/zinc/18/87/01/1137188701.db2.gz QAYOIPOWPCDBGS-DTQAZKPQSA-N 1 2 349.434 3.509 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccn1 ZINC001143683448 1137189500 /nfs/dbraw/zinc/18/95/00/1137189500.db2.gz HVYSQQZEBHGGPZ-UHFFFAOYSA-N 1 2 339.386 3.660 20 0 EHADLO CCC1(c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)CCCC1 ZINC000863673658 1137198685 /nfs/dbraw/zinc/19/86/85/1137198685.db2.gz WQFGKHKYPXXHLW-GOEBONIOSA-N 1 2 329.444 3.897 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844372036 1137213146 /nfs/dbraw/zinc/21/31/46/1137213146.db2.gz UABYIRMHHQVNDE-SFHVURJKSA-N 1 2 349.862 3.504 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844372036 1137213148 /nfs/dbraw/zinc/21/31/48/1137213148.db2.gz UABYIRMHHQVNDE-SFHVURJKSA-N 1 2 349.862 3.504 20 0 EHADLO Cc1c(C[N@H+](C)Cc2nnc3ccccn32)cccc1C(F)(F)F ZINC001143923257 1137215514 /nfs/dbraw/zinc/21/55/14/1137215514.db2.gz TWZYPSUCAIWVOF-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2nnc3ccccn32)cccc1C(F)(F)F ZINC001143923257 1137215515 /nfs/dbraw/zinc/21/55/15/1137215515.db2.gz TWZYPSUCAIWVOF-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1c(CN2CC[NH+](Cc3ccco3)CC2)cccc1C(F)(F)F ZINC001143924938 1137215644 /nfs/dbraw/zinc/21/56/44/1137215644.db2.gz SUJRRFSWYBNADG-UHFFFAOYSA-N 1 2 338.373 3.925 20 0 EHADLO CCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1C1CC1 ZINC001143939687 1137216358 /nfs/dbraw/zinc/21/63/58/1137216358.db2.gz MENFKORAUOFCGT-UHFFFAOYSA-N 1 2 349.438 3.917 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)cc(Cl)c2N)ccc1-n1cc[nH+]c1 ZINC001143939442 1137216415 /nfs/dbraw/zinc/21/64/15/1137216415.db2.gz FIBZJKOKFGMSPI-UHFFFAOYSA-N 1 2 344.777 3.808 20 0 EHADLO Fc1ccc(Cl)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1F ZINC001143946069 1137217288 /nfs/dbraw/zinc/21/72/88/1137217288.db2.gz NFMQDMXLGSZWHG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccc(Cl)c(C[N@H+]2CCCN(c3ccccn3)CC2)c1F ZINC001143946069 1137217289 /nfs/dbraw/zinc/21/72/89/1137217289.db2.gz NFMQDMXLGSZWHG-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421470 1137219599 /nfs/dbraw/zinc/21/95/99/1137219599.db2.gz IAHAPFWPVGMYJA-XHDPSFHLSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421470 1137219600 /nfs/dbraw/zinc/21/96/00/1137219600.db2.gz IAHAPFWPVGMYJA-XHDPSFHLSA-N 1 2 330.255 3.670 20 0 EHADLO FC1(F)[C@H]2C[N@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C[C@H]21 ZINC000844448446 1137220902 /nfs/dbraw/zinc/22/09/02/1137220902.db2.gz AHGLHKOLRWVYFM-OCAPTIKFSA-N 1 2 346.164 3.740 20 0 EHADLO FC1(F)[C@H]2C[N@@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C[C@H]21 ZINC000844448446 1137220904 /nfs/dbraw/zinc/22/09/04/1137220904.db2.gz AHGLHKOLRWVYFM-OCAPTIKFSA-N 1 2 346.164 3.740 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@H](O)c1ccccc1 ZINC000794614801 1137220955 /nfs/dbraw/zinc/22/09/55/1137220955.db2.gz SUGURQZPMMPZPF-RTBURBONSA-N 1 2 343.471 3.965 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438370 1137222490 /nfs/dbraw/zinc/22/24/90/1137222490.db2.gz NTLDPNYCMRGMQX-BMIGLBTASA-N 1 2 346.780 3.927 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438370 1137222492 /nfs/dbraw/zinc/22/24/92/1137222492.db2.gz NTLDPNYCMRGMQX-BMIGLBTASA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(C(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000844478791 1137224886 /nfs/dbraw/zinc/22/48/86/1137224886.db2.gz KFAJLMAUFZUTPU-AWEZNQCLSA-N 1 2 344.411 3.533 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(OC(F)(F)F)c1 ZINC001144045940 1137231431 /nfs/dbraw/zinc/23/14/31/1137231431.db2.gz MGHFSZXNURSNIJ-MLGOLLRUSA-N 1 2 345.361 3.595 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(OC(F)(F)F)c1 ZINC001144045940 1137231432 /nfs/dbraw/zinc/23/14/32/1137231432.db2.gz MGHFSZXNURSNIJ-MLGOLLRUSA-N 1 2 345.361 3.595 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(Br)c1 ZINC000844538881 1137235409 /nfs/dbraw/zinc/23/54/09/1137235409.db2.gz FLGOSEHGQWTOSC-LBPRGKRZSA-N 1 2 336.233 3.568 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC001144099320 1137238755 /nfs/dbraw/zinc/23/87/55/1137238755.db2.gz TXWSCEHYGKQEPC-INIZCTEOSA-N 1 2 338.451 3.673 20 0 EHADLO Fc1ccc2n[nH]c(C[N@@H+]3CC[C@@H](Oc4cc(F)ccc4F)C3)c2c1 ZINC001144197806 1137249982 /nfs/dbraw/zinc/24/99/82/1137249982.db2.gz YVYNFKZCURVYHW-CYBMUJFWSA-N 1 2 347.340 3.634 20 0 EHADLO Fc1ccc2n[nH]c(C[N@H+]3CC[C@@H](Oc4cc(F)ccc4F)C3)c2c1 ZINC001144197806 1137249983 /nfs/dbraw/zinc/24/99/83/1137249983.db2.gz YVYNFKZCURVYHW-CYBMUJFWSA-N 1 2 347.340 3.634 20 0 EHADLO Fc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)c2c1 ZINC001144196396 1137249994 /nfs/dbraw/zinc/24/99/94/1137249994.db2.gz FPFHAROYRLYRJS-MRXNPFEDSA-N 1 2 325.387 3.745 20 0 EHADLO Fc1ccc2[nH]nc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)c2c1 ZINC001144196396 1137249996 /nfs/dbraw/zinc/24/99/96/1137249996.db2.gz FPFHAROYRLYRJS-MRXNPFEDSA-N 1 2 325.387 3.745 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000844799331 1137253121 /nfs/dbraw/zinc/25/31/21/1137253121.db2.gz HQYBYCRNALCWNX-UHFFFAOYSA-N 1 2 341.459 3.612 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nc1 ZINC001144264218 1137262462 /nfs/dbraw/zinc/26/24/62/1137262462.db2.gz NEQSFJFHAWFODG-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)nc1 ZINC001144264218 1137262464 /nfs/dbraw/zinc/26/24/64/1137262464.db2.gz NEQSFJFHAWFODG-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140843 1137264902 /nfs/dbraw/zinc/26/49/02/1137264902.db2.gz KPIYKKRJYNJXKB-HOCLYGCPSA-N 1 2 329.419 3.524 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865141351 1137264915 /nfs/dbraw/zinc/26/49/15/1137264915.db2.gz RTDDRXRGBLTODH-ADVGAGMGSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140754 1137265007 /nfs/dbraw/zinc/26/50/07/1137265007.db2.gz JPPUYZTVTHILGS-CQSZACIVSA-N 1 2 334.423 3.788 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865159375 1137265882 /nfs/dbraw/zinc/26/58/82/1137265882.db2.gz QQNWKYKQLWBSBZ-IBGZPJMESA-N 1 2 333.435 3.833 20 0 EHADLO Cc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144359982 1137278401 /nfs/dbraw/zinc/27/84/01/1137278401.db2.gz YOLLLHWPIPPBAI-GFCCVEGCSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144359982 1137278402 /nfs/dbraw/zinc/27/84/02/1137278402.db2.gz YOLLLHWPIPPBAI-GFCCVEGCSA-N 1 2 339.505 3.591 20 0 EHADLO CC(C)(C)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c[nH+]1 ZINC000865375526 1137278568 /nfs/dbraw/zinc/27/85/68/1137278568.db2.gz YFPZYVRNZFCWRZ-UHFFFAOYSA-N 1 2 325.334 3.838 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)c3ccccc3F)CC2)sc1C ZINC001144378171 1137279345 /nfs/dbraw/zinc/27/93/45/1137279345.db2.gz XLVXJEZZXRMUJC-UHFFFAOYSA-N 1 2 332.444 3.994 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(C2CCCCC2)CC1 ZINC000845225695 1137279620 /nfs/dbraw/zinc/27/96/20/1137279620.db2.gz YLQMXHFCQKWXJM-UHFFFAOYSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1cc([C@H]2CCCN2c2cc(NCc3ccccc3)[nH+]cn2)no1 ZINC000865433035 1137283226 /nfs/dbraw/zinc/28/32/26/1137283226.db2.gz WUQSTOSVXQVKKH-QGZVFWFLSA-N 1 2 335.411 3.727 20 0 EHADLO Cc1cc([C@H]2CCCN2c2cc(NCc3ccccc3)nc[nH+]2)no1 ZINC000865433035 1137283229 /nfs/dbraw/zinc/28/32/29/1137283229.db2.gz WUQSTOSVXQVKKH-QGZVFWFLSA-N 1 2 335.411 3.727 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H]2CCc3c2cccc3O)c1Br ZINC000865451839 1137284888 /nfs/dbraw/zinc/28/48/88/1137284888.db2.gz BRBWHCPMVBVIET-CYBMUJFWSA-N 1 2 333.229 3.635 20 0 EHADLO CC[C@H]([NH2+]Cc1cccnc1Br)c1nc(C)cs1 ZINC000865452641 1137285330 /nfs/dbraw/zinc/28/53/30/1137285330.db2.gz MDQAUCFXTDEGFW-NSHDSACASA-N 1 2 326.263 3.850 20 0 EHADLO CSCC1(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000845347271 1137287211 /nfs/dbraw/zinc/28/72/11/1137287211.db2.gz DSUCFHPKWJMFHZ-UHFFFAOYSA-N 1 2 330.453 3.757 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)c(OCC(F)(F)F)c1 ZINC000865487930 1137287991 /nfs/dbraw/zinc/28/79/91/1137287991.db2.gz KCDAINGEWKILDU-UHFFFAOYSA-N 1 2 339.361 3.757 20 0 EHADLO CN(c1ccc(Nc2cccc(F)c2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212613995 1137290832 /nfs/dbraw/zinc/29/08/32/1137290832.db2.gz ASJJTGLAXPQLPF-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO COCC[C@H]([NH2+]Cc1cccnc1Br)c1ccc(C)o1 ZINC000865524268 1137291399 /nfs/dbraw/zinc/29/13/99/1137291399.db2.gz UHGDGYRXLORSAV-ZDUSSCGKSA-N 1 2 339.233 3.613 20 0 EHADLO CCCCOC(=O)c1c(F)cccc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845553347 1137299177 /nfs/dbraw/zinc/29/91/77/1137299177.db2.gz STQAOZBKRYJHDC-ZDUSSCGKSA-N 1 2 348.374 3.536 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001144490035 1137300101 /nfs/dbraw/zinc/30/01/01/1137300101.db2.gz UWUOPIRLRLUSIH-FQEVSTJZSA-N 1 2 342.870 3.764 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001144490035 1137300103 /nfs/dbraw/zinc/30/01/03/1137300103.db2.gz UWUOPIRLRLUSIH-FQEVSTJZSA-N 1 2 342.870 3.764 20 0 EHADLO C[C@H](CC(=O)OC1CCN(c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000845604572 1137302222 /nfs/dbraw/zinc/30/22/22/1137302222.db2.gz BTDGYXCZMFIEMP-CQSZACIVSA-N 1 2 347.846 3.700 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC001144554947 1137308784 /nfs/dbraw/zinc/30/87/84/1137308784.db2.gz NPIWKLGGJHUQAH-UHFFFAOYSA-N 1 2 333.378 3.852 20 0 EHADLO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567459 1137311167 /nfs/dbraw/zinc/31/11/67/1137311167.db2.gz LHPCWGOXGYSKQH-GOSISDBHSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567459 1137311168 /nfs/dbraw/zinc/31/11/68/1137311168.db2.gz LHPCWGOXGYSKQH-GOSISDBHSA-N 1 2 347.361 3.794 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(F)cc1Br ZINC001144583641 1137312787 /nfs/dbraw/zinc/31/27/87/1137312787.db2.gz JFKSTMPDGFEHAI-BLLLJJGKSA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(F)cc1Br ZINC001144583641 1137312789 /nfs/dbraw/zinc/31/27/89/1137312789.db2.gz JFKSTMPDGFEHAI-BLLLJJGKSA-N 1 2 342.252 3.898 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(Br)c(F)c2)n1 ZINC000865808431 1137313383 /nfs/dbraw/zinc/31/33/83/1137313383.db2.gz LAVBVPHTUHKRKA-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1OCCCCCO ZINC000865832198 1137314933 /nfs/dbraw/zinc/31/49/33/1137314933.db2.gz KXLMEBORYPGVGS-UHFFFAOYSA-N 1 2 331.460 3.926 20 0 EHADLO Fc1ccc(OCC2CCN(Cc3[nH+]cn4ccccc34)CC2)cc1 ZINC001144625820 1137318271 /nfs/dbraw/zinc/31/82/71/1137318271.db2.gz VFFUJBVXNBLFAG-UHFFFAOYSA-N 1 2 339.414 3.764 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001144649472 1137322712 /nfs/dbraw/zinc/32/27/12/1137322712.db2.gz PIEKHSHFVMVOLD-IYARVYRRSA-N 1 2 343.515 3.918 20 0 EHADLO CC(C)c1cc(NC[C@H]2CC3(CO2)CCOCC3)nc(C(C)C)[nH+]1 ZINC000866174940 1137333335 /nfs/dbraw/zinc/33/33/35/1137333335.db2.gz GLKLQLQGJFUAGU-OAHLLOKOSA-N 1 2 333.476 3.721 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)[C@@H]1C ZINC001144725903 1137336568 /nfs/dbraw/zinc/33/65/68/1137336568.db2.gz ACOXSVPPYLFOCS-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)[C@@H]1C ZINC001144725903 1137336570 /nfs/dbraw/zinc/33/65/70/1137336570.db2.gz ACOXSVPPYLFOCS-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO C[C@H](CCc1cccnc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000866331721 1137346478 /nfs/dbraw/zinc/34/64/78/1137346478.db2.gz OMOXIJWDDHAZDB-QGZVFWFLSA-N 1 2 336.439 3.790 20 0 EHADLO COCCCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866359493 1137349259 /nfs/dbraw/zinc/34/92/59/1137349259.db2.gz SYGHNTXAAWEYLC-AZUAARDMSA-N 1 2 345.414 3.663 20 0 EHADLO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000866362587 1137349391 /nfs/dbraw/zinc/34/93/91/1137349391.db2.gz GDFFXDXLFKDOTR-XOBRGWDASA-N 1 2 336.414 3.820 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1OC(F)F ZINC000866565020 1137365215 /nfs/dbraw/zinc/36/52/15/1137365215.db2.gz AIZHJWNOANUEHA-QMMMGPOBSA-N 1 2 349.303 3.949 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811982 1137368830 /nfs/dbraw/zinc/36/88/30/1137368830.db2.gz QUVAICNFBUZHPU-XFNZEKPQSA-N 1 2 340.851 3.805 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811982 1137368832 /nfs/dbraw/zinc/36/88/32/1137368832.db2.gz QUVAICNFBUZHPU-XFNZEKPQSA-N 1 2 340.851 3.805 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccco1 ZINC000846851881 1137372172 /nfs/dbraw/zinc/37/21/72/1137372172.db2.gz DPNWCAXZVGKJNL-CQSZACIVSA-N 1 2 326.799 3.971 20 0 EHADLO CCOC(C[N@H+](CC)Cc1coc(-c2ccc(C)cc2)n1)OCC ZINC000846971256 1137377918 /nfs/dbraw/zinc/37/79/18/1137377918.db2.gz TUMNUUPCZXHLCP-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1coc(-c2ccc(C)cc2)n1)OCC ZINC000846971256 1137377919 /nfs/dbraw/zinc/37/79/19/1137377919.db2.gz TUMNUUPCZXHLCP-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000846950209 1137378549 /nfs/dbraw/zinc/37/85/49/1137378549.db2.gz MQHMJTJUIUPZDC-JTQLQIEISA-N 1 2 343.254 3.621 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)c1ccco1)c1ccc(Cl)cc1Cl ZINC001147104579 1137400500 /nfs/dbraw/zinc/40/05/00/1137400500.db2.gz JDCCLZXGMMKDSC-ZDUSSCGKSA-N 1 2 327.211 3.619 20 0 EHADLO COc1ccc2cc(N[C@@H]3COc4cccc(OC)c4C3)[nH+]cc2c1 ZINC001171310876 1137407841 /nfs/dbraw/zinc/40/78/41/1137407841.db2.gz FWMOGNATYYMESI-HNNXBMFYSA-N 1 2 336.391 3.668 20 0 EHADLO Cc1c(F)c(F)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001148601175 1137428169 /nfs/dbraw/zinc/42/81/69/1137428169.db2.gz UAWBIAHLEOMINM-UHFFFAOYSA-N 1 2 327.334 3.770 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(SC(F)(F)F)o2)cc(C)[nH+]1 ZINC000868910209 1137428261 /nfs/dbraw/zinc/42/82/61/1137428261.db2.gz OHSPZNLTMHPINZ-UHFFFAOYSA-N 1 2 330.331 3.833 20 0 EHADLO COCC1(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CCCCC1 ZINC001148854455 1137436473 /nfs/dbraw/zinc/43/64/73/1137436473.db2.gz ZKLZRFWREOTDMN-CALCHBBNSA-N 1 2 345.487 3.518 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000869108521 1137437091 /nfs/dbraw/zinc/43/70/91/1137437091.db2.gz QKHSSCLIFICYNS-FUHWJXTLSA-N 1 2 339.439 3.559 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000869108521 1137437093 /nfs/dbraw/zinc/43/70/93/1137437093.db2.gz QKHSSCLIFICYNS-FUHWJXTLSA-N 1 2 339.439 3.559 20 0 EHADLO CC(C)NC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000348132026 1137444479 /nfs/dbraw/zinc/44/44/79/1137444479.db2.gz UBWFHDSGAHLUKF-UHFFFAOYSA-N 1 2 340.452 3.684 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000348191210 1137452327 /nfs/dbraw/zinc/45/23/27/1137452327.db2.gz UGLBIFMEZBGXQQ-HUUCEWRRSA-N 1 2 329.419 3.844 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000282803479 1137453938 /nfs/dbraw/zinc/45/39/38/1137453938.db2.gz QWORUSITHZDUHR-CQSZACIVSA-N 1 2 334.851 3.690 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC001171364299 1137457463 /nfs/dbraw/zinc/45/74/63/1137457463.db2.gz BICQUWUHXUQJJZ-QRVBRYPASA-N 1 2 325.456 3.923 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cnn1-c1ccccc1 ZINC000773137570 1137467875 /nfs/dbraw/zinc/46/78/75/1137467875.db2.gz JMKMDSSQCIACBF-ZIAGYGMSSA-N 1 2 338.459 3.834 20 0 EHADLO Clc1cccc(Cl)c1CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC001171435215 1137482001 /nfs/dbraw/zinc/48/20/01/1137482001.db2.gz JMAGZTAKRMFFFI-HNNXBMFYSA-N 1 2 332.296 3.744 20 0 EHADLO Clc1cccc(Cl)c1CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC001171435215 1137482002 /nfs/dbraw/zinc/48/20/02/1137482002.db2.gz JMAGZTAKRMFFFI-HNNXBMFYSA-N 1 2 332.296 3.744 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)c(OC)c(C)c2)n1 ZINC000773278815 1137485092 /nfs/dbraw/zinc/48/50/92/1137485092.db2.gz JTVCTRHUHWEABJ-UHFFFAOYSA-N 1 2 347.484 3.863 20 0 EHADLO c1cncc(N2CCC(Nc3cc(-c4ccncc4)cc[nH+]3)CC2)c1 ZINC001171465783 1137489866 /nfs/dbraw/zinc/48/98/66/1137489866.db2.gz CRLHTGIFIVNTRV-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504366 1137494718 /nfs/dbraw/zinc/49/47/18/1137494718.db2.gz ATAWWVPTCIURQW-WFASDCNBSA-N 1 2 343.389 3.529 20 0 EHADLO CSCC[C@H]([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OC(C)C ZINC001171665981 1137502666 /nfs/dbraw/zinc/50/26/66/1137502666.db2.gz KKFMSGUTVWWMFA-AEFFLSMTSA-N 1 2 337.529 3.979 20 0 EHADLO CC(C)O[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC001171740099 1137511242 /nfs/dbraw/zinc/51/12/42/1137511242.db2.gz BABIYHOSTAEGRH-AWEZNQCLSA-N 1 2 330.241 3.978 20 0 EHADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC001171740099 1137511244 /nfs/dbraw/zinc/51/12/44/1137511244.db2.gz BABIYHOSTAEGRH-AWEZNQCLSA-N 1 2 330.241 3.978 20 0 EHADLO CCCC[C@@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC001171960609 1137519316 /nfs/dbraw/zinc/51/93/16/1137519316.db2.gz DADSTELUEBKPBF-SWLSCSKDSA-N 1 2 331.378 3.958 20 0 EHADLO CCC1(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CCCC1 ZINC000123589859 1137538321 /nfs/dbraw/zinc/53/83/21/1137538321.db2.gz VYAATAGSLSCKNB-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172326752 1137547590 /nfs/dbraw/zinc/54/75/90/1137547590.db2.gz BSPJEWJEAHGJBO-IAGOWNOFSA-N 1 2 333.472 3.836 20 0 EHADLO [NH3+][C@H](c1nc(C2CCCCC2)no1)c1cccc(Br)c1 ZINC000871780093 1137558074 /nfs/dbraw/zinc/55/80/74/1137558074.db2.gz KBGUJPQBZITWIG-ZDUSSCGKSA-N 1 2 336.233 3.928 20 0 EHADLO FC(F)c1ccsc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000871839528 1137560004 /nfs/dbraw/zinc/56/00/04/1137560004.db2.gz PAPQMLWMWMEQCU-GXSJLCMTSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1ccsc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000871839528 1137560005 /nfs/dbraw/zinc/56/00/05/1137560005.db2.gz PAPQMLWMWMEQCU-GXSJLCMTSA-N 1 2 341.383 3.662 20 0 EHADLO OC1CCN(c2ccc([NH2+][C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872056513 1137568466 /nfs/dbraw/zinc/56/84/66/1137568466.db2.gz RTCXCOYZOLRTFM-KRWDZBQOSA-N 1 2 330.472 3.551 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872056513 1137568467 /nfs/dbraw/zinc/56/84/67/1137568467.db2.gz RTCXCOYZOLRTFM-KRWDZBQOSA-N 1 2 330.472 3.551 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093440 1137570854 /nfs/dbraw/zinc/57/08/54/1137570854.db2.gz VVXUKOPGWXXTML-IINYFYTJSA-N 1 2 343.320 3.934 20 0 EHADLO O=c1[nH]c2cc(C[NH2+][C@H](CCc3ccccc3)C(F)F)ccc2o1 ZINC000872123430 1137572845 /nfs/dbraw/zinc/57/28/45/1137572845.db2.gz PNAXEPASYBJFTF-CQSZACIVSA-N 1 2 332.350 3.890 20 0 EHADLO C[C@H]1CCN(c2nc(Cl)nc3sccc32)C[C@H]1n1cc[nH+]c1 ZINC000872481337 1137580680 /nfs/dbraw/zinc/58/06/80/1137580680.db2.gz GKBGQMAEVNELCQ-CMPLNLGQSA-N 1 2 333.848 3.629 20 0 EHADLO CCCOc1cccc2c(NCCC[C@H]3CCOC3=O)cc[nH+]c12 ZINC000872703463 1137582912 /nfs/dbraw/zinc/58/29/12/1137582912.db2.gz XFBWOMQLJFKYLS-AWEZNQCLSA-N 1 2 328.412 3.779 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@H](O)c1ccccc1 ZINC000872774127 1137584214 /nfs/dbraw/zinc/58/42/14/1137584214.db2.gz DIHOPVDCAAYLPR-HZPDHXFCSA-N 1 2 339.443 3.505 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(C)ccc(Br)c2F)on1 ZINC000873059580 1137589083 /nfs/dbraw/zinc/58/90/83/1137589083.db2.gz VBBRQPNLHFPVIF-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)n1 ZINC000873169052 1137592127 /nfs/dbraw/zinc/59/21/27/1137592127.db2.gz IIZPGKYPFSBGSJ-UHFFFAOYSA-N 1 2 345.752 3.837 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)c1nccnc1C ZINC000873188517 1137593281 /nfs/dbraw/zinc/59/32/81/1137593281.db2.gz JHEWZYOGCHRMQX-SNVBAGLBSA-N 1 2 326.227 3.951 20 0 EHADLO Nc1cnc(C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000873208951 1137594061 /nfs/dbraw/zinc/59/40/61/1137594061.db2.gz ZALHGYOTKAIBCS-HNNXBMFYSA-N 1 2 336.361 3.805 20 0 EHADLO Nc1cnc(C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000873208951 1137594062 /nfs/dbraw/zinc/59/40/62/1137594062.db2.gz ZALHGYOTKAIBCS-HNNXBMFYSA-N 1 2 336.361 3.805 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000825686154 1137605845 /nfs/dbraw/zinc/60/58/45/1137605845.db2.gz DHIWUSKPXGPYNH-CYBMUJFWSA-N 1 2 345.418 3.725 20 0 EHADLO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccn1Cc1ccccc1 ZINC000874254989 1137612062 /nfs/dbraw/zinc/61/20/62/1137612062.db2.gz LYICLJSGYYAFOP-UHFFFAOYSA-N 1 2 348.450 3.588 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001137080827 1137616571 /nfs/dbraw/zinc/61/65/71/1137616571.db2.gz VDKHUMQVXGBQSI-GOSISDBHSA-N 1 2 333.863 3.865 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001137080827 1137616572 /nfs/dbraw/zinc/61/65/72/1137616572.db2.gz VDKHUMQVXGBQSI-GOSISDBHSA-N 1 2 333.863 3.865 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874895024 1137625773 /nfs/dbraw/zinc/62/57/73/1137625773.db2.gz ABPUHEXAPKQAHH-INIZCTEOSA-N 1 2 334.341 3.550 20 0 EHADLO CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)c(C)c1 ZINC000874928985 1137626486 /nfs/dbraw/zinc/62/64/86/1137626486.db2.gz VIKLCDAMEHJBKE-CQSZACIVSA-N 1 2 343.324 3.877 20 0 EHADLO Clc1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)s1 ZINC001137106667 1137651357 /nfs/dbraw/zinc/65/13/57/1137651357.db2.gz PHABQZQMRPCFJA-DYVFJYSZSA-N 1 2 349.887 3.873 20 0 EHADLO Clc1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)s1 ZINC001137106667 1137651358 /nfs/dbraw/zinc/65/13/58/1137651358.db2.gz PHABQZQMRPCFJA-DYVFJYSZSA-N 1 2 349.887 3.873 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2F)cc1OC ZINC001137872388 1137655618 /nfs/dbraw/zinc/65/56/18/1137655618.db2.gz NRAZPFFOJONFJI-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2F)cc1OC ZINC001137872388 1137655619 /nfs/dbraw/zinc/65/56/19/1137655619.db2.gz NRAZPFFOJONFJI-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COC(=O)[C@@H](C)C[N@H+](Cc1nc(Cl)cs1)Cc1ccccc1 ZINC000876584604 1137656123 /nfs/dbraw/zinc/65/61/23/1137656123.db2.gz JZZMHPOFDKVNLW-LBPRGKRZSA-N 1 2 338.860 3.608 20 0 EHADLO COC(=O)[C@@H](C)C[N@@H+](Cc1nc(Cl)cs1)Cc1ccccc1 ZINC000876584604 1137656124 /nfs/dbraw/zinc/65/61/24/1137656124.db2.gz JZZMHPOFDKVNLW-LBPRGKRZSA-N 1 2 338.860 3.608 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877021547 1137667892 /nfs/dbraw/zinc/66/78/92/1137667892.db2.gz FZESKLAUKZVZGV-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(OC[C@@H]3CCCO3)c2)c1C ZINC000876828026 1137663020 /nfs/dbraw/zinc/66/30/20/1137663020.db2.gz WNUKRGBWHXGCER-SFHVURJKSA-N 1 2 342.439 3.877 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(Cl)cs2)cc(OC)c1OC ZINC000876933550 1137665571 /nfs/dbraw/zinc/66/55/71/1137665571.db2.gz SFOPIMBHPLZRIF-SECBINFHSA-N 1 2 342.848 3.673 20 0 EHADLO CCOP(=O)(CCCNc1ccc(N2CCCC2)c[nH+]1)OCC ZINC000876955112 1137666154 /nfs/dbraw/zinc/66/61/54/1137666154.db2.gz RUHGXGQUMOBSGI-UHFFFAOYSA-N 1 2 341.392 3.750 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000126270406 1137666525 /nfs/dbraw/zinc/66/65/25/1137666525.db2.gz JBMFLPPTPNSWGJ-NSHDSACASA-N 1 2 344.406 3.888 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000126270406 1137666526 /nfs/dbraw/zinc/66/65/26/1137666526.db2.gz JBMFLPPTPNSWGJ-NSHDSACASA-N 1 2 344.406 3.888 20 0 EHADLO COc1cccc(C[NH2+]Cc2ccc(Cl)nn2)c1OC1CCCC1 ZINC000877024532 1137667828 /nfs/dbraw/zinc/66/78/28/1137667828.db2.gz GUUIRVKTRYEOGN-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO CCO[P@@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000877116247 1137670554 /nfs/dbraw/zinc/67/05/54/1137670554.db2.gz TUMYWWBDUSVZEC-JLCFBVMHSA-N 1 2 325.393 3.817 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000877383762 1137675085 /nfs/dbraw/zinc/67/50/85/1137675085.db2.gz AEKBJTBGAGJQER-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1C ZINC000877643080 1137684064 /nfs/dbraw/zinc/68/40/64/1137684064.db2.gz CNYQVGQIDRICET-QGZVFWFLSA-N 1 2 348.450 3.670 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C(F)F)nc1)CC2 ZINC000877681925 1137685714 /nfs/dbraw/zinc/68/57/14/1137685714.db2.gz SJHNDIXJNXHABO-UHFFFAOYSA-N 1 2 331.366 3.536 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C(F)F)nc1)CC2 ZINC000877681925 1137685715 /nfs/dbraw/zinc/68/57/15/1137685715.db2.gz SJHNDIXJNXHABO-UHFFFAOYSA-N 1 2 331.366 3.536 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2noc3c2CC(C)(C)CC3)c1 ZINC000877810705 1137690800 /nfs/dbraw/zinc/69/08/00/1137690800.db2.gz YVAAVKQVHRFAMY-CYBMUJFWSA-N 1 2 341.455 3.999 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877819232 1137691516 /nfs/dbraw/zinc/69/15/16/1137691516.db2.gz AKTSNFTUZLASDM-CYBMUJFWSA-N 1 2 339.304 3.750 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877819232 1137691517 /nfs/dbraw/zinc/69/15/17/1137691517.db2.gz AKTSNFTUZLASDM-CYBMUJFWSA-N 1 2 339.304 3.750 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1OC(C)C ZINC000877823600 1137692157 /nfs/dbraw/zinc/69/21/57/1137692157.db2.gz XKOPUSRAOLJQJO-OAHLLOKOSA-N 1 2 347.377 3.636 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1OC(C)C ZINC000877823600 1137692158 /nfs/dbraw/zinc/69/21/58/1137692158.db2.gz XKOPUSRAOLJQJO-OAHLLOKOSA-N 1 2 347.377 3.636 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000877893863 1137694506 /nfs/dbraw/zinc/69/45/06/1137694506.db2.gz BDLVOQULNMFWJB-SFHVURJKSA-N 1 2 331.412 3.603 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)cs2)n1 ZINC000877961043 1137697238 /nfs/dbraw/zinc/69/72/38/1137697238.db2.gz HWAQIJPBXPZQED-HNNXBMFYSA-N 1 2 330.482 3.942 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)cs2)n1 ZINC000877961043 1137697239 /nfs/dbraw/zinc/69/72/39/1137697239.db2.gz HWAQIJPBXPZQED-HNNXBMFYSA-N 1 2 330.482 3.942 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000878086065 1137701652 /nfs/dbraw/zinc/70/16/52/1137701652.db2.gz YHFUJGDDSCYPCC-AWEZNQCLSA-N 1 2 338.879 3.865 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000127021624 1137709685 /nfs/dbraw/zinc/70/96/85/1137709685.db2.gz LTWUOJWGLPHFED-GASCZTMLSA-N 1 2 346.471 3.593 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000127021624 1137709686 /nfs/dbraw/zinc/70/96/86/1137709686.db2.gz LTWUOJWGLPHFED-GASCZTMLSA-N 1 2 346.471 3.593 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1OC ZINC000878353811 1137712326 /nfs/dbraw/zinc/71/23/26/1137712326.db2.gz SRCMIYKNQSZIEI-INIZCTEOSA-N 1 2 339.395 3.692 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@@H]2CCC(C)(C)CO2)n1 ZINC000878378765 1137713561 /nfs/dbraw/zinc/71/35/61/1137713561.db2.gz MPEGNAVORTUCOF-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cccc1Cl)c1ccco1 ZINC000878409425 1137714775 /nfs/dbraw/zinc/71/47/75/1137714775.db2.gz KNJAJULKXJULAF-JSGCOSHPSA-N 1 2 336.819 3.546 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CC[C@@](F)(c4ccccc4)C3)o2)c1 ZINC000878565803 1137720467 /nfs/dbraw/zinc/72/04/67/1137720467.db2.gz UXPLYRMNIXXONN-IBGZPJMESA-N 1 2 339.370 3.513 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CC[C@@](F)(c4ccccc4)C3)o2)c1 ZINC000878565803 1137720468 /nfs/dbraw/zinc/72/04/68/1137720468.db2.gz UXPLYRMNIXXONN-IBGZPJMESA-N 1 2 339.370 3.513 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(C)c(Cl)n1)c1nnc2n1CCCCC2 ZINC000878964521 1137733742 /nfs/dbraw/zinc/73/37/42/1137733742.db2.gz AQEXQNFOQYFXEJ-CQSZACIVSA-N 1 2 333.867 3.602 20 0 EHADLO Cc1cncc([C@@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000879001651 1137734889 /nfs/dbraw/zinc/73/48/89/1137734889.db2.gz DKLNXFDLSIKYSK-KRWDZBQOSA-N 1 2 339.443 3.528 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc2cc(Br)ccc2c1 ZINC000127527928 1137739128 /nfs/dbraw/zinc/73/91/28/1137739128.db2.gz MAIQRSZXMCVWLU-UHFFFAOYSA-N 1 2 344.212 3.828 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137143831 1137744042 /nfs/dbraw/zinc/74/40/42/1137744042.db2.gz DLANHRFMHPATDZ-ROUUACIJSA-N 1 2 326.525 3.549 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001137143831 1137744043 /nfs/dbraw/zinc/74/40/43/1137744043.db2.gz DLANHRFMHPATDZ-ROUUACIJSA-N 1 2 326.525 3.549 20 0 EHADLO CCS[C@@H](C)c1noc(CSCc2cc[nH+]c(N(C)C)c2)n1 ZINC000127708103 1137746070 /nfs/dbraw/zinc/74/60/70/1137746070.db2.gz JBNPOPQUZFVFGZ-NSHDSACASA-N 1 2 338.502 3.778 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558609 1137750879 /nfs/dbraw/zinc/75/08/79/1137750879.db2.gz KMIUTSFHMXYWKU-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558609 1137750880 /nfs/dbraw/zinc/75/08/80/1137750880.db2.gz KMIUTSFHMXYWKU-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CCO1 ZINC000879629632 1137752845 /nfs/dbraw/zinc/75/28/45/1137752845.db2.gz SOHBOPJLKSAXOY-HXUWFJFHSA-N 1 2 326.440 3.589 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2c(C)cc(C)nc2C)CCO1 ZINC000879629632 1137752846 /nfs/dbraw/zinc/75/28/46/1137752846.db2.gz SOHBOPJLKSAXOY-HXUWFJFHSA-N 1 2 326.440 3.589 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000879683613 1137755248 /nfs/dbraw/zinc/75/52/48/1137755248.db2.gz BHVHLZLVAHDWSW-WDEREUQCSA-N 1 2 331.807 3.535 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000879738085 1137757223 /nfs/dbraw/zinc/75/72/23/1137757223.db2.gz NCYFYFLKQVKAAN-RTBURBONSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000879738085 1137757224 /nfs/dbraw/zinc/75/72/24/1137757224.db2.gz NCYFYFLKQVKAAN-RTBURBONSA-N 1 2 331.456 3.560 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000879752241 1137758025 /nfs/dbraw/zinc/75/80/25/1137758025.db2.gz NWUMTDWKRGLQPO-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000879752241 1137758026 /nfs/dbraw/zinc/75/80/26/1137758026.db2.gz NWUMTDWKRGLQPO-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO CC(C)c1ncsc1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000879816094 1137759608 /nfs/dbraw/zinc/75/96/08/1137759608.db2.gz OKBNOQXGWMIHQP-CQSZACIVSA-N 1 2 330.457 3.575 20 0 EHADLO CC(C)c1ncsc1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000879816094 1137759609 /nfs/dbraw/zinc/75/96/09/1137759609.db2.gz OKBNOQXGWMIHQP-CQSZACIVSA-N 1 2 330.457 3.575 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@H](C(F)(F)F)O1 ZINC000880065197 1137767083 /nfs/dbraw/zinc/76/70/83/1137767083.db2.gz RNNULEOUQWCGLC-MWLCHTKSSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)CC[C@H](C(F)(F)F)O1 ZINC000880065197 1137767084 /nfs/dbraw/zinc/76/70/84/1137767084.db2.gz RNNULEOUQWCGLC-MWLCHTKSSA-N 1 2 342.283 3.642 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880302748 1137773960 /nfs/dbraw/zinc/77/39/60/1137773960.db2.gz IXEJPMWRZXATED-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880302748 1137773961 /nfs/dbraw/zinc/77/39/61/1137773961.db2.gz IXEJPMWRZXATED-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO Cn1cnc(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)c1 ZINC000880352447 1137775919 /nfs/dbraw/zinc/77/59/19/1137775919.db2.gz SZCIBFBHJYKIIR-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO FC(F)(F)COc1cccc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000880366094 1137776379 /nfs/dbraw/zinc/77/63/79/1137776379.db2.gz ZZJGEJXEIWCPSO-UHFFFAOYSA-N 1 2 337.345 3.587 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3CCc4ccsc4[C@@H]3C)n2)c1 ZINC000880377515 1137777047 /nfs/dbraw/zinc/77/70/47/1137777047.db2.gz XZOCRKMXQUVHQH-LBPRGKRZSA-N 1 2 326.425 3.621 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3CCc4ccsc4[C@@H]3C)n2)c1 ZINC000880377515 1137777048 /nfs/dbraw/zinc/77/70/48/1137777048.db2.gz XZOCRKMXQUVHQH-LBPRGKRZSA-N 1 2 326.425 3.621 20 0 EHADLO Cc1sc2nc(C[NH+]3CCC4(CCCCO4)CC3)[nH]c(=O)c2c1C ZINC000880456697 1137779067 /nfs/dbraw/zinc/77/90/67/1137779067.db2.gz SPFHAWAGILECHI-UHFFFAOYSA-N 1 2 347.484 3.549 20 0 EHADLO CC(C)(C)c1nocc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213074802 1137781766 /nfs/dbraw/zinc/78/17/66/1137781766.db2.gz NHWKESVKTMLPJU-UHFFFAOYSA-N 1 2 335.367 3.875 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132802 1137783565 /nfs/dbraw/zinc/78/35/65/1137783565.db2.gz ZGRAXFORPJIWKO-GXFFZTMASA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132802 1137783566 /nfs/dbraw/zinc/78/35/66/1137783566.db2.gz ZGRAXFORPJIWKO-GXFFZTMASA-N 1 2 328.225 3.514 20 0 EHADLO CC[C@H](C(=O)N(CC1CCC1)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001137158622 1137785215 /nfs/dbraw/zinc/78/52/15/1137785215.db2.gz ARPPDGSNPFMDST-WOJBJXKFSA-N 1 2 344.499 3.709 20 0 EHADLO CC[C@H](C(=O)N(CC1CCC1)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC001137158622 1137785216 /nfs/dbraw/zinc/78/52/16/1137785216.db2.gz ARPPDGSNPFMDST-WOJBJXKFSA-N 1 2 344.499 3.709 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000880744417 1137787806 /nfs/dbraw/zinc/78/78/06/1137787806.db2.gz MYUAJIKZXLBTGM-UHFFFAOYSA-N 1 2 328.391 3.769 20 0 EHADLO Cc1csc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC001137160327 1137789818 /nfs/dbraw/zinc/78/98/18/1137789818.db2.gz VQSWAHNBRVHJBW-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)CCN1C(=O)OC(C)(C)C ZINC001137162997 1137799818 /nfs/dbraw/zinc/79/98/18/1137799818.db2.gz VORPDYCBSWTHFS-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)CCN1C(=O)OC(C)(C)C ZINC001137162997 1137799819 /nfs/dbraw/zinc/79/98/19/1137799819.db2.gz VORPDYCBSWTHFS-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)CCn1cc[nH+]c1 ZINC000881662980 1137813460 /nfs/dbraw/zinc/81/34/60/1137813460.db2.gz VEMQLCQWUJLBDF-HNNXBMFYSA-N 1 2 331.847 3.721 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000888903746 1137819827 /nfs/dbraw/zinc/81/98/27/1137819827.db2.gz COFQHVSUTPWEPW-CEXWTWQISA-N 1 2 337.467 3.678 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCCC1(F)F ZINC000882871978 1137836227 /nfs/dbraw/zinc/83/62/27/1137836227.db2.gz SVPGSXKBUBWKRQ-HOTGVXAUSA-N 1 2 333.382 3.566 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000882871812 1137836265 /nfs/dbraw/zinc/83/62/65/1137836265.db2.gz OYLLYGSTPKESJK-RTWAWAEBSA-N 1 2 345.446 3.546 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000882873657 1137836290 /nfs/dbraw/zinc/83/62/90/1137836290.db2.gz GXJFJFXLLQSRJW-LEWJYISDSA-N 1 2 345.446 3.861 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873413 1137836294 /nfs/dbraw/zinc/83/62/94/1137836294.db2.gz ZRKUIZSITTYKKL-CTNGQTDRSA-N 1 2 345.446 3.861 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873332 1137836315 /nfs/dbraw/zinc/83/63/15/1137836315.db2.gz XMZSJCRSDKLPJD-MJGOQNOKSA-N 1 2 343.471 3.582 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC000882886196 1137836870 /nfs/dbraw/zinc/83/68/70/1137836870.db2.gz JHISPLCVBXCGEY-UHFFFAOYSA-N 1 2 341.499 3.860 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)n1 ZINC000883003566 1137841326 /nfs/dbraw/zinc/84/13/26/1137841326.db2.gz VWQQNYHKRWTQAZ-MRXNPFEDSA-N 1 2 341.377 3.549 20 0 EHADLO O[C@H](c1ccccc1)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000131119991 1137846517 /nfs/dbraw/zinc/84/65/17/1137846517.db2.gz DVELSJHQVRIRCW-LJQANCHMSA-N 1 2 341.455 3.673 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2ccnc(-c3ccccn3)n2)s1 ZINC000883286425 1137852675 /nfs/dbraw/zinc/85/26/75/1137852675.db2.gz SKVXRJYSOWGEFZ-UHFFFAOYSA-N 1 2 339.468 3.582 20 0 EHADLO COc1cc([C@H](C)[NH2+]C2(c3ncccn3)CCC2)ccc1OC(F)F ZINC000883314117 1137854171 /nfs/dbraw/zinc/85/41/71/1137854171.db2.gz WCVLUIDQGJOPFF-LBPRGKRZSA-N 1 2 349.381 3.817 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC[C@@H]1F)OCO2 ZINC000883382943 1137858513 /nfs/dbraw/zinc/85/85/13/1137858513.db2.gz QMDLKRQSSHMMRR-KXBFYZLASA-N 1 2 329.371 3.539 20 0 EHADLO CC1(C)SC(=O)N(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000132445966 1137866390 /nfs/dbraw/zinc/86/63/90/1137866390.db2.gz JKBWCEBBGYZJDL-HNNXBMFYSA-N 1 2 330.453 3.570 20 0 EHADLO CC1(C)SC(=O)N(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000132445966 1137866391 /nfs/dbraw/zinc/86/63/91/1137866391.db2.gz JKBWCEBBGYZJDL-HNNXBMFYSA-N 1 2 330.453 3.570 20 0 EHADLO CC1(C)SC(=O)N(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)C1=O ZINC000132503156 1137866740 /nfs/dbraw/zinc/86/67/40/1137866740.db2.gz OJDBDPUNQYGDDW-INIZCTEOSA-N 1 2 344.480 3.960 20 0 EHADLO CC1(C)SC(=O)N(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)C1=O ZINC000132503156 1137866741 /nfs/dbraw/zinc/86/67/41/1137866741.db2.gz OJDBDPUNQYGDDW-INIZCTEOSA-N 1 2 344.480 3.960 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC000883701063 1137867675 /nfs/dbraw/zinc/86/76/75/1137867675.db2.gz DLBNCNIHDIFSQC-HNNXBMFYSA-N 1 2 346.862 3.551 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000626183053 1137869598 /nfs/dbraw/zinc/86/95/98/1137869598.db2.gz MSZJNMHULLCZDH-UHFFFAOYSA-N 1 2 347.409 3.522 20 0 EHADLO C[C@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C)n1cc[nH+]c1 ZINC001137197336 1137870209 /nfs/dbraw/zinc/87/02/09/1137870209.db2.gz RFLBPVHURPZFGY-WDEREUQCSA-N 1 2 338.238 3.897 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101866413 1137871913 /nfs/dbraw/zinc/87/19/13/1137871913.db2.gz KEWHVACGMWHELS-UHFFFAOYSA-N 1 2 340.471 3.597 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)s1 ZINC000102773946 1137873965 /nfs/dbraw/zinc/87/39/65/1137873965.db2.gz JGGNWRUTAFDKPG-UHFFFAOYSA-N 1 2 333.844 3.578 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)s1 ZINC000102773946 1137873966 /nfs/dbraw/zinc/87/39/66/1137873966.db2.gz JGGNWRUTAFDKPG-UHFFFAOYSA-N 1 2 333.844 3.578 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348246020 1137875423 /nfs/dbraw/zinc/87/54/23/1137875423.db2.gz LBMPCSHGWXUMKA-DZGCQCFKSA-N 1 2 330.394 3.970 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348246020 1137875424 /nfs/dbraw/zinc/87/54/24/1137875424.db2.gz LBMPCSHGWXUMKA-DZGCQCFKSA-N 1 2 330.394 3.970 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000103494621 1137876587 /nfs/dbraw/zinc/87/65/87/1137876587.db2.gz IMBWDYHRONWPMO-DLBZAZTESA-N 1 2 325.456 3.530 20 0 EHADLO C=C/C=C/CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000883914867 1137879384 /nfs/dbraw/zinc/87/93/84/1137879384.db2.gz BQPZVMNFRQICRQ-CZHQAMEJSA-N 1 2 336.439 3.543 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000106446202 1137883519 /nfs/dbraw/zinc/88/35/19/1137883519.db2.gz HIZGRMNPYBFXQG-CQSZACIVSA-N 1 2 344.415 3.539 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000106446202 1137883520 /nfs/dbraw/zinc/88/35/20/1137883520.db2.gz HIZGRMNPYBFXQG-CQSZACIVSA-N 1 2 344.415 3.539 20 0 EHADLO CC(=O)c1csc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000106732706 1137884478 /nfs/dbraw/zinc/88/44/78/1137884478.db2.gz KYOFTGSKZDCBAI-AWEZNQCLSA-N 1 2 348.493 3.579 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106878099 1137884813 /nfs/dbraw/zinc/88/48/13/1137884813.db2.gz BYXXXNVPSVCYOC-CYBMUJFWSA-N 1 2 347.484 3.790 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106878099 1137884814 /nfs/dbraw/zinc/88/48/14/1137884814.db2.gz BYXXXNVPSVCYOC-CYBMUJFWSA-N 1 2 347.484 3.790 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348261227 1137886399 /nfs/dbraw/zinc/88/63/99/1137886399.db2.gz LJUWMEKVMHUEOA-ARJAWSKDSA-N 1 2 349.409 3.790 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc(OC)c1O ZINC000348286223 1137898477 /nfs/dbraw/zinc/89/84/77/1137898477.db2.gz XKGWZQWIWVYKFV-LJQANCHMSA-N 1 2 349.377 3.619 20 0 EHADLO COc1cc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc(OC)c1O ZINC000348286223 1137898478 /nfs/dbraw/zinc/89/84/78/1137898478.db2.gz XKGWZQWIWVYKFV-LJQANCHMSA-N 1 2 349.377 3.619 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)cs1 ZINC000111376127 1137904348 /nfs/dbraw/zinc/90/43/48/1137904348.db2.gz XPWXDKPQEIGZGJ-KBPBESRZSA-N 1 2 343.496 3.724 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000111376973 1137904490 /nfs/dbraw/zinc/90/44/90/1137904490.db2.gz ZIHNTKZISYSLGA-NXEZZACHSA-N 1 2 339.411 3.662 20 0 EHADLO Cc1ncc(/C=C/C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000112277159 1137906963 /nfs/dbraw/zinc/90/69/63/1137906963.db2.gz QQUXBZPTSXEHQF-AATRIKPKSA-N 1 2 348.497 3.546 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000112632730 1137908953 /nfs/dbraw/zinc/90/89/53/1137908953.db2.gz OQTVFXGGKIEUQA-UHFFFAOYSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccco2)n(C(C)(C)C)n1 ZINC000331455071 1137908993 /nfs/dbraw/zinc/90/89/93/1137908993.db2.gz MSNOBXWUZJGMNH-OAHLLOKOSA-N 1 2 344.459 3.705 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccco2)n(C(C)(C)C)n1 ZINC000331455071 1137908994 /nfs/dbraw/zinc/90/89/94/1137908994.db2.gz MSNOBXWUZJGMNH-OAHLLOKOSA-N 1 2 344.459 3.705 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1cc(C)cnc1=S)CCC2 ZINC000133760770 1137909807 /nfs/dbraw/zinc/90/98/07/1137909807.db2.gz IFNNOTKIWZUTAD-ZDUSSCGKSA-N 1 2 334.514 3.907 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1cc(C)cnc1=S)CCC2 ZINC000133760770 1137909808 /nfs/dbraw/zinc/90/98/08/1137909808.db2.gz IFNNOTKIWZUTAD-ZDUSSCGKSA-N 1 2 334.514 3.907 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880508 1137924237 /nfs/dbraw/zinc/92/42/37/1137924237.db2.gz UZUFCQRICGQBSY-SCZZXKLOSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880508 1137924238 /nfs/dbraw/zinc/92/42/38/1137924238.db2.gz UZUFCQRICGQBSY-SCZZXKLOSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1C ZINC001202698716 1137930143 /nfs/dbraw/zinc/93/01/43/1137930143.db2.gz OJKOFAFIJSGFEM-UHFFFAOYSA-N 1 2 325.412 3.774 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1nccs1 ZINC000118848088 1137935882 /nfs/dbraw/zinc/93/58/82/1137935882.db2.gz NAMVFWSKPKDLTA-UHFFFAOYSA-N 1 2 344.267 3.913 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc(C(C)(C)C)nc3C)ccc2[nH+]1 ZINC000332236276 1137936731 /nfs/dbraw/zinc/93/67/31/1137936731.db2.gz ONCXYGVDTBZOKB-UHFFFAOYSA-N 1 2 328.441 3.957 20 0 EHADLO CCCCC1CCC(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000332411225 1137943141 /nfs/dbraw/zinc/94/31/41/1137943141.db2.gz RGUPXVFQKASTCJ-WXVPWVKJSA-N 1 2 347.503 3.753 20 0 EHADLO CC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000884279249 1137943190 /nfs/dbraw/zinc/94/31/90/1137943190.db2.gz FRQCFSLUVWHZGF-QFBILLFUSA-N 1 2 348.450 3.802 20 0 EHADLO CC[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000884279250 1137943214 /nfs/dbraw/zinc/94/32/14/1137943214.db2.gz FRQCFSLUVWHZGF-VQIMIIECSA-N 1 2 348.450 3.802 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120091917 1137946447 /nfs/dbraw/zinc/94/64/47/1137946447.db2.gz WIIRLPGFWNLTSW-UHFFFAOYSA-N 1 2 333.482 3.685 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120091917 1137946448 /nfs/dbraw/zinc/94/64/48/1137946448.db2.gz WIIRLPGFWNLTSW-UHFFFAOYSA-N 1 2 333.482 3.685 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc(Cl)c1F ZINC000348318256 1137947366 /nfs/dbraw/zinc/94/73/66/1137947366.db2.gz XXTFKRCVQJOJCB-OAHLLOKOSA-N 1 2 333.794 3.604 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120314744 1137948488 /nfs/dbraw/zinc/94/84/88/1137948488.db2.gz FGHLCYODRCHESC-UHFFFAOYSA-N 1 2 347.846 3.558 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000120336885 1137948785 /nfs/dbraw/zinc/94/87/85/1137948785.db2.gz QZSHKITXMVTKBN-UHFFFAOYSA-N 1 2 339.483 3.878 20 0 EHADLO Cc1cc(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC000134231223 1137948811 /nfs/dbraw/zinc/94/88/11/1137948811.db2.gz RAHLZUYQQAETRT-UHFFFAOYSA-N 1 2 341.411 3.770 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC000333184105 1137957516 /nfs/dbraw/zinc/95/75/16/1137957516.db2.gz SNPQVAHIIOKYLY-AWEZNQCLSA-N 1 2 344.484 3.554 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(F)c(Cl)cc2F)c1C ZINC000134550221 1137959952 /nfs/dbraw/zinc/95/99/52/1137959952.db2.gz MUVLKORZUPUYQW-UHFFFAOYSA-N 1 2 340.757 3.569 20 0 EHADLO OC[C@@]1(C(F)(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000884728222 1137971752 /nfs/dbraw/zinc/97/17/52/1137971752.db2.gz LGDUOZWJMSHAJW-CQSZACIVSA-N 1 2 348.727 3.778 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2noc3ccc(F)cc23)c1OC ZINC000886176958 1138056257 /nfs/dbraw/zinc/05/62/57/1138056257.db2.gz OULUWQOATZUTEA-UHFFFAOYSA-N 1 2 330.359 3.582 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2ccc(Cl)cn2)c2n1CCCC2 ZINC000886179097 1138056515 /nfs/dbraw/zinc/05/65/15/1138056515.db2.gz MWAIWLAXHPCGES-UHFFFAOYSA-N 1 2 344.768 3.576 20 0 EHADLO CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCCC1 ZINC000890266428 1138070494 /nfs/dbraw/zinc/07/04/94/1138070494.db2.gz PONMNJQMWITJRD-LJQANCHMSA-N 1 2 340.471 3.989 20 0 EHADLO Clc1ccc([C@@H](c2ccccc2)[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886449984 1138079346 /nfs/dbraw/zinc/07/93/46/1138079346.db2.gz IQSZQAZYODKQPA-LJQANCHMSA-N 1 2 338.842 3.927 20 0 EHADLO Clc1ccc([C@@H](c2ccccc2)[N@H+]2CCCn3nncc3C2)cc1 ZINC000886449984 1138079347 /nfs/dbraw/zinc/07/93/47/1138079347.db2.gz IQSZQAZYODKQPA-LJQANCHMSA-N 1 2 338.842 3.927 20 0 EHADLO c1ccc(-n2nc(C[NH2+][C@@H]3CCc4cccnc43)c3c2CCC3)cc1 ZINC000886509999 1138086665 /nfs/dbraw/zinc/08/66/65/1138086665.db2.gz OTJJBGVXMXJBSV-GOSISDBHSA-N 1 2 330.435 3.533 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000072555983 1138105777 /nfs/dbraw/zinc/10/57/77/1138105777.db2.gz RWWFBTAUAUDEOV-KRWDZBQOSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000072555983 1138105778 /nfs/dbraw/zinc/10/57/78/1138105778.db2.gz RWWFBTAUAUDEOV-KRWDZBQOSA-N 1 2 346.858 3.561 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C)o1 ZINC000072665938 1138106965 /nfs/dbraw/zinc/10/69/65/1138106965.db2.gz PNYCELBPTRJDFU-GOSISDBHSA-N 1 2 342.439 3.553 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C)o1 ZINC000072665938 1138106967 /nfs/dbraw/zinc/10/69/67/1138106967.db2.gz PNYCELBPTRJDFU-GOSISDBHSA-N 1 2 342.439 3.553 20 0 EHADLO CC[C@@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C)c1nccs1 ZINC000072684344 1138107320 /nfs/dbraw/zinc/10/73/20/1138107320.db2.gz VYBCWYBEOUOQND-MRXNPFEDSA-N 1 2 337.514 3.983 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000348394156 1138120170 /nfs/dbraw/zinc/12/01/70/1138120170.db2.gz RXEJLIWONXMMTH-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO COc1cc(C[N@H+](C)Cc2sccc2Br)ccc1O ZINC000080846779 1138164811 /nfs/dbraw/zinc/16/48/11/1138164811.db2.gz GSIZIBHIJVMSSZ-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2sccc2Br)ccc1O ZINC000080846779 1138164812 /nfs/dbraw/zinc/16/48/12/1138164812.db2.gz GSIZIBHIJVMSSZ-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799907 1138171372 /nfs/dbraw/zinc/17/13/72/1138171372.db2.gz VEBYYIBXYUZSKJ-NVXWUHKLSA-N 1 2 342.487 3.714 20 0 EHADLO Cc1ccc(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)n2)cc1 ZINC000886983009 1138181629 /nfs/dbraw/zinc/18/16/29/1138181629.db2.gz JVKNUCMDLFWDIP-HZPDHXFCSA-N 1 2 332.407 3.533 20 0 EHADLO O=C(C[C@@H]1CCCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000087122201 1138188812 /nfs/dbraw/zinc/18/88/12/1138188812.db2.gz ANNLADBZBLRRSW-SFHVURJKSA-N 1 2 339.439 3.784 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000089852217 1138206608 /nfs/dbraw/zinc/20/66/08/1138206608.db2.gz BRELMGUQILNAPU-DNVCBOLYSA-N 1 2 335.407 3.866 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCSCC1 ZINC000089982486 1138208065 /nfs/dbraw/zinc/20/80/65/1138208065.db2.gz ITQSVXDEFHCCCE-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCSCC1 ZINC000089982486 1138208067 /nfs/dbraw/zinc/20/80/67/1138208067.db2.gz ITQSVXDEFHCCCE-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C)c1 ZINC000090631322 1138212538 /nfs/dbraw/zinc/21/25/38/1138212538.db2.gz PCNNPFZOXXEJIZ-GOSISDBHSA-N 1 2 337.467 3.526 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091800047 1138221889 /nfs/dbraw/zinc/22/18/89/1138221889.db2.gz RHOWZTMXAHLGMU-UHFFFAOYSA-N 1 2 340.471 3.685 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091800047 1138221890 /nfs/dbraw/zinc/22/18/90/1138221890.db2.gz RHOWZTMXAHLGMU-UHFFFAOYSA-N 1 2 340.471 3.685 20 0 EHADLO CCCCC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918425 1138233003 /nfs/dbraw/zinc/23/30/03/1138233003.db2.gz OQQACLDKEHHIKY-NSHDSACASA-N 1 2 342.365 3.535 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093235133 1138235282 /nfs/dbraw/zinc/23/52/82/1138235282.db2.gz RWIKYFBILOZKHG-KRWDZBQOSA-N 1 2 325.456 3.512 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235133 1138235285 /nfs/dbraw/zinc/23/52/85/1138235285.db2.gz RWIKYFBILOZKHG-KRWDZBQOSA-N 1 2 325.456 3.512 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@H+](Cc3cccs3)CCO2)c1 ZINC000093865391 1138242456 /nfs/dbraw/zinc/24/24/56/1138242456.db2.gz ZRARGXCBSKIUKI-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3cccs3)CCO2)c1 ZINC000093865391 1138242457 /nfs/dbraw/zinc/24/24/57/1138242457.db2.gz ZRARGXCBSKIUKI-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccon2)cc(C)c1OCC(F)(F)F ZINC000122877566 1138263293 /nfs/dbraw/zinc/26/32/93/1138263293.db2.gz HXOYCNMCDVWNOJ-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccon2)cc(C)c1OCC(F)(F)F ZINC000122877566 1138263296 /nfs/dbraw/zinc/26/32/96/1138263296.db2.gz HXOYCNMCDVWNOJ-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122955839 1138264534 /nfs/dbraw/zinc/26/45/34/1138264534.db2.gz VRXYJTDHHICCDI-AEWUMBHXSA-N 1 2 327.403 3.535 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333327115 1138277497 /nfs/dbraw/zinc/27/74/97/1138277497.db2.gz YBVDQJWTLOQRRK-UHFFFAOYSA-N 1 2 340.452 3.714 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333327115 1138277499 /nfs/dbraw/zinc/27/74/99/1138277499.db2.gz YBVDQJWTLOQRRK-UHFFFAOYSA-N 1 2 340.452 3.714 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000124349455 1138284877 /nfs/dbraw/zinc/28/48/77/1138284877.db2.gz ZWVSLIWVXMWVJY-PBHICJAKSA-N 1 2 343.858 3.678 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000125702231 1138314541 /nfs/dbraw/zinc/31/45/41/1138314541.db2.gz GVEVCXCDLAHKED-UHFFFAOYSA-N 1 2 340.349 3.542 20 0 EHADLO COc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127348795 1138354649 /nfs/dbraw/zinc/35/46/49/1138354649.db2.gz MDIONAOHMYXCIF-WFASDCNBSA-N 1 2 348.834 3.660 20 0 EHADLO COc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127349258 1138354676 /nfs/dbraw/zinc/35/46/76/1138354676.db2.gz MDIONAOHMYXCIF-SWLSCSKDSA-N 1 2 348.834 3.660 20 0 EHADLO CSc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000127899926 1138374352 /nfs/dbraw/zinc/37/43/52/1138374352.db2.gz DTVYUNNTOKCURS-XJKSGUPXSA-N 1 2 330.457 3.720 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(OC(F)F)cc1 ZINC000263884012 1138386472 /nfs/dbraw/zinc/38/64/72/1138386472.db2.gz XRBVEENWPQZVNH-UHFFFAOYSA-N 1 2 335.310 3.563 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(OC(F)F)cc1 ZINC000263884012 1138386476 /nfs/dbraw/zinc/38/64/76/1138386476.db2.gz XRBVEENWPQZVNH-UHFFFAOYSA-N 1 2 335.310 3.563 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263934694 1138394861 /nfs/dbraw/zinc/39/48/61/1138394861.db2.gz FLGNVULRDDOJGN-INIZCTEOSA-N 1 2 349.434 3.593 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263948467 1138396501 /nfs/dbraw/zinc/39/65/01/1138396501.db2.gz KVLRRCBKAAAPPN-OAHLLOKOSA-N 1 2 346.862 3.585 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000263957808 1138397778 /nfs/dbraw/zinc/39/77/78/1138397778.db2.gz HCNVVDUMXBDBRO-OAHLLOKOSA-N 1 2 340.471 3.665 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263961574 1138398422 /nfs/dbraw/zinc/39/84/22/1138398422.db2.gz XIBJIBHYHGSSHA-UONOGXRCSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263961573 1138398590 /nfs/dbraw/zinc/39/85/90/1138398590.db2.gz XIBJIBHYHGSSHA-KGLIPLIRSA-N 1 2 347.846 3.545 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)[C@H](CO)c3ccccc3)co2)cc1 ZINC000264013924 1138405920 /nfs/dbraw/zinc/40/59/20/1138405920.db2.gz JUMPQSMKHOGMRS-LJQANCHMSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)[C@H](CO)c3ccccc3)co2)cc1 ZINC000264013924 1138405921 /nfs/dbraw/zinc/40/59/21/1138405921.db2.gz JUMPQSMKHOGMRS-LJQANCHMSA-N 1 2 338.407 3.516 20 0 EHADLO COc1cc(NC2CC[NH+](C/C(Cl)=C/Cl)CC2)cc(OC)c1 ZINC000129519989 1138413490 /nfs/dbraw/zinc/41/34/90/1138413490.db2.gz LSFZCAUIFPRXPF-BENRWUELSA-N 1 2 345.270 3.899 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000264216305 1138445545 /nfs/dbraw/zinc/44/55/45/1138445545.db2.gz WZLIPIJEGXYFDQ-INIZCTEOSA-N 1 2 343.496 3.712 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000337005266 1138445933 /nfs/dbraw/zinc/44/59/33/1138445933.db2.gz YBCAALONHLGQSK-ZIAGYGMSSA-N 1 2 339.468 3.796 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1F ZINC000130731633 1138472794 /nfs/dbraw/zinc/47/27/94/1138472794.db2.gz YSIJSARMVNESLX-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c(C)nn(C)c2Cl)s1 ZINC000130814799 1138478442 /nfs/dbraw/zinc/47/84/42/1138478442.db2.gz OIYJQKXCSXSNDR-NSHDSACASA-N 1 2 326.897 3.902 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(C)nn(C)c2Cl)s1 ZINC000130814799 1138478444 /nfs/dbraw/zinc/47/84/44/1138478444.db2.gz OIYJQKXCSXSNDR-NSHDSACASA-N 1 2 326.897 3.902 20 0 EHADLO CC(C)[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000337163773 1138482971 /nfs/dbraw/zinc/48/29/71/1138482971.db2.gz YUNKIKAFODTDKI-GOSISDBHSA-N 1 2 340.402 3.670 20 0 EHADLO CC(C)[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000337163774 1138483072 /nfs/dbraw/zinc/48/30/72/1138483072.db2.gz YUNKIKAFODTDKI-SFHVURJKSA-N 1 2 340.402 3.670 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193469 1138491285 /nfs/dbraw/zinc/49/12/85/1138491285.db2.gz UPEAYGOXPDDAMK-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193469 1138491287 /nfs/dbraw/zinc/49/12/87/1138491287.db2.gz UPEAYGOXPDDAMK-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccc1Oc1cccnc1 ZINC000337220220 1138498876 /nfs/dbraw/zinc/49/88/76/1138498876.db2.gz BUDLWLNSSSCTLH-OAHLLOKOSA-N 1 2 328.412 3.647 20 0 EHADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1Oc1cccnc1 ZINC000337220220 1138498882 /nfs/dbraw/zinc/49/88/82/1138498882.db2.gz BUDLWLNSSSCTLH-OAHLLOKOSA-N 1 2 328.412 3.647 20 0 EHADLO CSc1ccsc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000337267952 1138514257 /nfs/dbraw/zinc/51/42/57/1138514257.db2.gz JQSUQMVFLAWVCG-UHFFFAOYSA-N 1 2 343.477 3.645 20 0 EHADLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000131483691 1138521509 /nfs/dbraw/zinc/52/15/09/1138521509.db2.gz HNRUWVXCCVPNFR-MRXNPFEDSA-N 1 2 336.439 3.829 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1c(F)cccc1Oc1ccccc1 ZINC000337290581 1138521989 /nfs/dbraw/zinc/52/19/89/1138521989.db2.gz DBNBBIWHRBMDNI-UHFFFAOYSA-N 1 2 325.343 3.843 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2cccs2)s1 ZINC000264462651 1138524739 /nfs/dbraw/zinc/52/47/39/1138524739.db2.gz VNSFAZHHAHKSOM-ZYHUDNBSSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@H](C)c2cccs2)s1 ZINC000264462651 1138524742 /nfs/dbraw/zinc/52/47/42/1138524742.db2.gz VNSFAZHHAHKSOM-ZYHUDNBSSA-N 1 2 337.514 3.692 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(CC2CCCCC2)CC1 ZINC000887623594 1138563704 /nfs/dbraw/zinc/56/37/04/1138563704.db2.gz MVDLVOJWACMIOO-SFHVURJKSA-N 1 2 329.488 3.655 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000337444871 1138571146 /nfs/dbraw/zinc/57/11/46/1138571146.db2.gz KZFUAZGPXPXUQD-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000337444871 1138571149 /nfs/dbraw/zinc/57/11/49/1138571149.db2.gz KZFUAZGPXPXUQD-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccc(F)cc2Cl)c1 ZINC000337487492 1138583582 /nfs/dbraw/zinc/58/35/82/1138583582.db2.gz AQSQISFETYCQES-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)cc2Cl)c1 ZINC000337487492 1138583584 /nfs/dbraw/zinc/58/35/84/1138583584.db2.gz AQSQISFETYCQES-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264690123 1138605894 /nfs/dbraw/zinc/60/58/94/1138605894.db2.gz CVOPGFYZNDRDTG-LSDHHAIUSA-N 1 2 342.443 3.999 20 0 EHADLO O=C(c1ccc2sccc2c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337574507 1138610130 /nfs/dbraw/zinc/61/01/30/1138610130.db2.gz FJPRUHCWJLKHOX-KRWDZBQOSA-N 1 2 340.423 3.827 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264722207 1138617433 /nfs/dbraw/zinc/61/74/33/1138617433.db2.gz LKNKWKCKKOORPL-AWEZNQCLSA-N 1 2 328.416 3.528 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000337622283 1138624395 /nfs/dbraw/zinc/62/43/95/1138624395.db2.gz RVGHRUIZUNRUHS-INIZCTEOSA-N 1 2 335.407 3.943 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000337666845 1138638337 /nfs/dbraw/zinc/63/83/37/1138638337.db2.gz MRXRLUNLVMPARI-CABCVRRESA-N 1 2 332.398 3.792 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264800198 1138642845 /nfs/dbraw/zinc/64/28/45/1138642845.db2.gz ULAZTHJYGPYMBD-NHCUHLMSSA-N 1 2 345.446 3.998 20 0 EHADLO CCCCC(C)(C)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274143278 1138659059 /nfs/dbraw/zinc/65/90/59/1138659059.db2.gz DTVXTUMMNRZGHF-UHFFFAOYSA-N 1 2 334.426 3.832 20 0 EHADLO CCCCC(C)(C)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274143278 1138659061 /nfs/dbraw/zinc/65/90/61/1138659061.db2.gz DTVXTUMMNRZGHF-UHFFFAOYSA-N 1 2 334.426 3.832 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000264864534 1138660763 /nfs/dbraw/zinc/66/07/63/1138660763.db2.gz LKNNWFOROYLZEO-GOSISDBHSA-N 1 2 338.455 3.758 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCCCC2)C[C@@H](C)O1 ZINC000337937642 1138701765 /nfs/dbraw/zinc/70/17/65/1138701765.db2.gz QHOHWXJYNFSAKH-IAGOWNOFSA-N 1 2 345.487 3.704 20 0 EHADLO C[C@@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCc2ccccc21 ZINC000338051645 1138734277 /nfs/dbraw/zinc/73/42/77/1138734277.db2.gz PKMQKTYCTXPFAN-JOCHJYFZSA-N 1 2 345.446 3.783 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000338058802 1138736394 /nfs/dbraw/zinc/73/63/94/1138736394.db2.gz WJUNKZNGAVIUHN-QGZVFWFLSA-N 1 2 349.434 3.730 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000338216397 1138790739 /nfs/dbraw/zinc/79/07/39/1138790739.db2.gz ZDRTZZYVKMSHEO-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338259580 1138804541 /nfs/dbraw/zinc/80/45/41/1138804541.db2.gz VGARPNSAUOSXHY-INIZCTEOSA-N 1 2 335.234 3.780 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000338273241 1138811169 /nfs/dbraw/zinc/81/11/69/1138811169.db2.gz GIQKXWXXGFOZFQ-MRXNPFEDSA-N 1 2 330.476 3.919 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000338323663 1138834688 /nfs/dbraw/zinc/83/46/88/1138834688.db2.gz WMCJCDXQLFZDGP-JKIFEVAISA-N 1 2 344.434 3.635 20 0 EHADLO COc1cc(CNc2c[nH+]ccc2OC(C)(C)C)cc2c1OCCO2 ZINC000338331543 1138836794 /nfs/dbraw/zinc/83/67/94/1138836794.db2.gz MCAYIPPFQPPPAP-UHFFFAOYSA-N 1 2 344.411 3.651 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(C)[nH]1 ZINC000338349796 1138846972 /nfs/dbraw/zinc/84/69/72/1138846972.db2.gz IUMWGDYHAWCABQ-OAHLLOKOSA-N 1 2 328.378 3.869 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(C)[nH]1 ZINC000338349796 1138846978 /nfs/dbraw/zinc/84/69/78/1138846978.db2.gz IUMWGDYHAWCABQ-OAHLLOKOSA-N 1 2 328.378 3.869 20 0 EHADLO Cc1ncc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338372732 1138866235 /nfs/dbraw/zinc/86/62/35/1138866235.db2.gz UCHQPJRIASQIJD-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1ncc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338372732 1138866244 /nfs/dbraw/zinc/86/62/44/1138866244.db2.gz UCHQPJRIASQIJD-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000887801430 1138927510 /nfs/dbraw/zinc/92/75/10/1138927510.db2.gz JXEFGTDUSSUYCR-NHYWBVRUSA-N 1 2 338.333 3.531 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000338502897 1138945375 /nfs/dbraw/zinc/94/53/75/1138945375.db2.gz QEHWXXSXZVJXNE-BJWYYQGGSA-N 1 2 341.455 3.504 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000348494302 1138947080 /nfs/dbraw/zinc/94/70/80/1138947080.db2.gz NZDFDLTVMVBJDZ-ZIAGYGMSSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccnc3)n2)ccc1F ZINC000151112894 1139010637 /nfs/dbraw/zinc/01/06/37/1139010637.db2.gz OHDSBEILAPIIRN-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1ccccn1 ZINC000152435149 1139090307 /nfs/dbraw/zinc/09/03/07/1139090307.db2.gz FFITZPZZUFMNKL-CXAGYDPISA-N 1 2 347.256 3.806 20 0 EHADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1ccccn1 ZINC000152435149 1139090315 /nfs/dbraw/zinc/09/03/15/1139090315.db2.gz FFITZPZZUFMNKL-CXAGYDPISA-N 1 2 347.256 3.806 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000152630590 1139101715 /nfs/dbraw/zinc/10/17/15/1139101715.db2.gz JEVXSRLMHIDNLO-YOEHRIQHSA-N 1 2 340.427 3.591 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000152888639 1139112867 /nfs/dbraw/zinc/11/28/67/1139112867.db2.gz AZYPNJKZUVEONK-JXFKEZNVSA-N 1 2 348.450 3.829 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000153649529 1139145148 /nfs/dbraw/zinc/14/51/48/1139145148.db2.gz LEMXVFSFQGLOKQ-VDZJLULYSA-N 1 2 340.471 3.854 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnn(C2CCC2)c1)c1cccc(Cl)c1 ZINC000889060880 1139161048 /nfs/dbraw/zinc/16/10/48/1139161048.db2.gz WLZUFFUIHZMWDF-MRXNPFEDSA-N 1 2 332.835 3.503 20 0 EHADLO C[C@@H](N(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1(C)CC1 ZINC000889555694 1139232805 /nfs/dbraw/zinc/23/28/05/1139232805.db2.gz WBSVLHBKEAOFIW-BZUAXINKSA-N 1 2 330.476 3.635 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137256621 1139258014 /nfs/dbraw/zinc/25/80/14/1139258014.db2.gz OXCJQQVJKKGEMR-AWEZNQCLSA-N 1 2 349.427 3.910 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137256621 1139258015 /nfs/dbraw/zinc/25/80/15/1139258015.db2.gz OXCJQQVJKKGEMR-AWEZNQCLSA-N 1 2 349.427 3.910 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCc3cccc(C)c3C2)n1 ZINC000429568203 1139270925 /nfs/dbraw/zinc/27/09/25/1139270925.db2.gz ZFROXRSHJIUAPH-UHFFFAOYSA-N 1 2 333.435 3.836 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCc3cccc(C)c3C2)n1 ZINC000429568203 1139270934 /nfs/dbraw/zinc/27/09/34/1139270934.db2.gz ZFROXRSHJIUAPH-UHFFFAOYSA-N 1 2 333.435 3.836 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000890400441 1139355261 /nfs/dbraw/zinc/35/52/61/1139355261.db2.gz LQQDDXFYNFRCBR-ZWKOTPCHSA-N 1 2 340.471 3.566 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000173865194 1139383147 /nfs/dbraw/zinc/38/31/47/1139383147.db2.gz KLPAOJXAOVOYKB-RHSMWYFYSA-N 1 2 329.444 3.923 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000173865194 1139383158 /nfs/dbraw/zinc/38/31/58/1139383158.db2.gz KLPAOJXAOVOYKB-RHSMWYFYSA-N 1 2 329.444 3.923 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)s1 ZINC000175246456 1139475743 /nfs/dbraw/zinc/47/57/43/1139475743.db2.gz KZIJFSDHSPTJDT-ZJUUUORDSA-N 1 2 341.839 3.922 20 0 EHADLO CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000175860717 1139523152 /nfs/dbraw/zinc/52/31/52/1139523152.db2.gz XVQSNVSVNWSILP-GJZGRUSLSA-N 1 2 349.500 3.952 20 0 EHADLO CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000175860717 1139523157 /nfs/dbraw/zinc/52/31/57/1139523157.db2.gz XVQSNVSVNWSILP-GJZGRUSLSA-N 1 2 349.500 3.952 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000176220287 1139545685 /nfs/dbraw/zinc/54/56/85/1139545685.db2.gz DQDXNBSVHKSEMP-INIZCTEOSA-N 1 2 347.846 3.558 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)nc2ccccc21 ZINC000176910901 1139586399 /nfs/dbraw/zinc/58/63/99/1139586399.db2.gz FTGBITHXIDRPCJ-AWEZNQCLSA-N 1 2 339.464 3.872 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)nc2ccccc21 ZINC000176910901 1139586401 /nfs/dbraw/zinc/58/64/01/1139586401.db2.gz FTGBITHXIDRPCJ-AWEZNQCLSA-N 1 2 339.464 3.872 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(Cc2ccccc2)CC1 ZINC000176959466 1139589586 /nfs/dbraw/zinc/58/95/86/1139589586.db2.gz OCMNFSBPSQDUEP-UHFFFAOYSA-N 1 2 349.478 3.711 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1cc(F)ccc1F ZINC000177167456 1139601404 /nfs/dbraw/zinc/60/14/04/1139601404.db2.gz QHSQMSVDBVWVMR-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1cc(F)ccc1F ZINC000177167456 1139601408 /nfs/dbraw/zinc/60/14/08/1139601408.db2.gz QHSQMSVDBVWVMR-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000177504330 1139623457 /nfs/dbraw/zinc/62/34/57/1139623457.db2.gz LGEWLHVRXGXAIS-KPFFTGBYSA-N 1 2 337.467 3.803 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000177660135 1139632348 /nfs/dbraw/zinc/63/23/48/1139632348.db2.gz HVVJQESEKNWKSS-CXAGYDPISA-N 1 2 327.428 3.819 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000177660135 1139632353 /nfs/dbraw/zinc/63/23/53/1139632353.db2.gz HVVJQESEKNWKSS-CXAGYDPISA-N 1 2 327.428 3.819 20 0 EHADLO CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177760666 1139638542 /nfs/dbraw/zinc/63/85/42/1139638542.db2.gz SJUWBRNBGVDUIJ-INIZCTEOSA-N 1 2 336.439 3.845 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@H](C(N)=O)c3ccccc3)c(C)c2c1 ZINC000177778781 1139640637 /nfs/dbraw/zinc/64/06/37/1139640637.db2.gz NJVAFLYPAZYELN-UGSOOPFHSA-N 1 2 338.407 3.627 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000178223854 1139680132 /nfs/dbraw/zinc/68/01/32/1139680132.db2.gz DFSCFFFMORBLJH-UHFFFAOYSA-N 1 2 343.456 3.619 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1OCc1cccs1 ZINC000179866626 1139789412 /nfs/dbraw/zinc/78/94/12/1139789412.db2.gz APKWPPMRNYGCDB-CQSZACIVSA-N 1 2 333.453 3.556 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1OCc1cccs1 ZINC000179866626 1139789417 /nfs/dbraw/zinc/78/94/17/1139789417.db2.gz APKWPPMRNYGCDB-CQSZACIVSA-N 1 2 333.453 3.556 20 0 EHADLO CCCCn1c(=O)c2ccccc2nc1SCCCn1cc[nH+]c1 ZINC000180428953 1139834870 /nfs/dbraw/zinc/83/48/70/1139834870.db2.gz QUNASPPCYPHMIQ-UHFFFAOYSA-N 1 2 342.468 3.576 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(-c2ccccc2)n1 ZINC000180545672 1139844037 /nfs/dbraw/zinc/84/40/37/1139844037.db2.gz RSBFVVLFAIPDPL-SFHVURJKSA-N 1 2 339.464 3.722 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(-c2ccccc2)n1 ZINC000180545672 1139844044 /nfs/dbraw/zinc/84/40/44/1139844044.db2.gz RSBFVVLFAIPDPL-SFHVURJKSA-N 1 2 339.464 3.722 20 0 EHADLO C[C@@H](CNC(=O)CCCc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000180964508 1139875234 /nfs/dbraw/zinc/87/52/34/1139875234.db2.gz QFELUSMMLRNPHF-KRWDZBQOSA-N 1 2 335.451 3.812 20 0 EHADLO CN(C(=O)C[N@H+](Cc1ccccn1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000181390702 1139903737 /nfs/dbraw/zinc/90/37/37/1139903737.db2.gz KNZJZVVTUZKZHA-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1ccccn1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000181390702 1139903738 /nfs/dbraw/zinc/90/37/38/1139903738.db2.gz KNZJZVVTUZKZHA-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO CCC[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)cc1F ZINC000181659622 1139923073 /nfs/dbraw/zinc/92/30/73/1139923073.db2.gz NDVIVCFYSSFHBM-OAHLLOKOSA-N 1 2 349.406 3.665 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000181718494 1139927067 /nfs/dbraw/zinc/92/70/67/1139927067.db2.gz ORQANZNUOSALBT-QGZVFWFLSA-N 1 2 330.476 3.882 20 0 EHADLO CCc1nc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cs1 ZINC000181824783 1139934693 /nfs/dbraw/zinc/93/46/93/1139934693.db2.gz QCEJVBWEDBNINA-MRXNPFEDSA-N 1 2 332.469 3.878 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000181985814 1139943898 /nfs/dbraw/zinc/94/38/98/1139943898.db2.gz PEAJOWHQVQPAMO-QGZVFWFLSA-N 1 2 345.443 3.625 20 0 EHADLO CC(C)[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCC1 ZINC000182590522 1139981684 /nfs/dbraw/zinc/98/16/84/1139981684.db2.gz BSAVXELKFZLGAW-UHFFFAOYSA-N 1 2 344.484 3.943 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCC1 ZINC000182590522 1139981689 /nfs/dbraw/zinc/98/16/89/1139981689.db2.gz BSAVXELKFZLGAW-UHFFFAOYSA-N 1 2 344.484 3.943 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(CC(C)C)c1 ZINC000183357738 1140032138 /nfs/dbraw/zinc/03/21/38/1140032138.db2.gz WMRDQYWQCZTUOZ-UHFFFAOYSA-N 1 2 342.487 3.617 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(CC(C)C)c1 ZINC000183357738 1140032143 /nfs/dbraw/zinc/03/21/43/1140032143.db2.gz WMRDQYWQCZTUOZ-UHFFFAOYSA-N 1 2 342.487 3.617 20 0 EHADLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183920651 1140065210 /nfs/dbraw/zinc/06/52/10/1140065210.db2.gz MYJGFOARPZTKQG-UHFFFAOYSA-N 1 2 348.368 3.721 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960746 1140069713 /nfs/dbraw/zinc/06/97/13/1140069713.db2.gz IPJGYNCIBMHDEM-HOTGVXAUSA-N 1 2 337.366 3.542 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960746 1140069718 /nfs/dbraw/zinc/06/97/18/1140069718.db2.gz IPJGYNCIBMHDEM-HOTGVXAUSA-N 1 2 337.366 3.542 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)n1 ZINC000183974848 1140071570 /nfs/dbraw/zinc/07/15/70/1140071570.db2.gz ICQXNLSJJNRYTL-HNNXBMFYSA-N 1 2 344.484 3.671 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000184549861 1140108578 /nfs/dbraw/zinc/10/85/78/1140108578.db2.gz XIYHWWDZVYTBMF-GWCFXTLKSA-N 1 2 339.773 3.538 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cs1 ZINC000184738118 1140118130 /nfs/dbraw/zinc/11/81/30/1140118130.db2.gz ZWXSKHNWCWWFGX-VIFPVBQESA-N 1 2 341.839 3.787 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184745216 1140118651 /nfs/dbraw/zinc/11/86/51/1140118651.db2.gz KFFOIDCQZGBKKW-KRWDZBQOSA-N 1 2 344.455 3.629 20 0 EHADLO CSCc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184793480 1140120402 /nfs/dbraw/zinc/12/04/02/1140120402.db2.gz ZNSJBNSZKWKHTR-YOEHRIQHSA-N 1 2 344.484 3.861 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883748 1140124163 /nfs/dbraw/zinc/12/41/63/1140124163.db2.gz CEWVPCMOQLDUML-RDJZCZTQSA-N 1 2 341.455 3.783 20 0 EHADLO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184892605 1140124730 /nfs/dbraw/zinc/12/47/30/1140124730.db2.gz JQGLIMWDEZEFSF-OAHLLOKOSA-N 1 2 329.444 3.641 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000185027529 1140132396 /nfs/dbraw/zinc/13/23/96/1140132396.db2.gz FKGAUONHIBOLQK-OAHLLOKOSA-N 1 2 343.496 3.928 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1c(F)cccc1Cl ZINC000185056184 1140134068 /nfs/dbraw/zinc/13/40/68/1140134068.db2.gz RAWWTFAGENVPAG-JTQLQIEISA-N 1 2 334.782 3.718 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@@H](C)c2nc(C3CCCCC3)no2)c1C ZINC000185258175 1140141843 /nfs/dbraw/zinc/14/18/43/1140141843.db2.gz QASHTOJTGNRVHO-AWEZNQCLSA-N 1 2 344.459 3.989 20 0 EHADLO FC(F)(F)COCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185609531 1140158785 /nfs/dbraw/zinc/15/87/85/1140158785.db2.gz MZPXCUMDPXDPNT-AWEZNQCLSA-N 1 2 337.769 3.682 20 0 EHADLO FC(F)(F)COCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185609531 1140158787 /nfs/dbraw/zinc/15/87/87/1140158787.db2.gz MZPXCUMDPXDPNT-AWEZNQCLSA-N 1 2 337.769 3.682 20 0 EHADLO CCCCOc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000185811338 1140171468 /nfs/dbraw/zinc/17/14/68/1140171468.db2.gz BYLQQMKCDDISSX-AWEZNQCLSA-N 1 2 349.862 3.782 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185929959 1140178008 /nfs/dbraw/zinc/17/80/08/1140178008.db2.gz QVTKJCJNDUTESI-NSHDSACASA-N 1 2 343.374 3.841 20 0 EHADLO Cn1c[nH+]cc1CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186508517 1140207693 /nfs/dbraw/zinc/20/76/93/1140207693.db2.gz QWUJKHNQZAWUNC-OAHLLOKOSA-N 1 2 341.402 3.729 20 0 EHADLO CC(C)COc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1Cl ZINC000188585463 1140301637 /nfs/dbraw/zinc/30/16/37/1140301637.db2.gz ISLMQAIEUQHETQ-UHFFFAOYSA-N 1 2 335.835 3.680 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1OC ZINC000190764093 1140416622 /nfs/dbraw/zinc/41/66/22/1140416622.db2.gz CFYAIZHNVNOPKV-UHFFFAOYSA-N 1 2 346.475 3.510 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3cn(C(C)(C)C)nn3)c(C)c2c1 ZINC000190980118 1140429255 /nfs/dbraw/zinc/42/92/55/1140429255.db2.gz PUYJEUZVGJTUKY-CYBMUJFWSA-N 1 2 342.443 3.947 20 0 EHADLO O=C1O[C@H](CSCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000191030076 1140431967 /nfs/dbraw/zinc/43/19/67/1140431967.db2.gz IWHLUSUZRQCZBD-INIZCTEOSA-N 1 2 328.437 3.591 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)n1 ZINC000191826056 1140487198 /nfs/dbraw/zinc/48/71/98/1140487198.db2.gz LRTVUJQGTHSAGH-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2)n1 ZINC000191826056 1140487203 /nfs/dbraw/zinc/48/72/03/1140487203.db2.gz LRTVUJQGTHSAGH-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1COC ZINC000191846876 1140488972 /nfs/dbraw/zinc/48/89/72/1140488972.db2.gz RZDACEDQGOKCPO-UHFFFAOYSA-N 1 2 344.459 3.536 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc2ncccc21 ZINC000192257528 1140515072 /nfs/dbraw/zinc/51/50/72/1140515072.db2.gz OTVCCKBTTZAPOD-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000192258611 1140516386 /nfs/dbraw/zinc/51/63/86/1140516386.db2.gz JEUZVWFIEADQQM-UHFFFAOYSA-N 1 2 338.455 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000192259497 1140516650 /nfs/dbraw/zinc/51/66/50/1140516650.db2.gz FLZUZYGGKMKVQT-HZPDHXFCSA-N 1 2 345.512 3.858 20 0 EHADLO CN(C)c1noc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)n1 ZINC000192780764 1140550775 /nfs/dbraw/zinc/55/07/75/1140550775.db2.gz FZKATFBIMUYZLQ-SFHVURJKSA-N 1 2 336.439 3.599 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3SCCc4sccc43)ccc2[nH+]1 ZINC000266283383 1140663060 /nfs/dbraw/zinc/66/30/60/1140663060.db2.gz LOOPOGFWFSDSAL-HNNXBMFYSA-N 1 2 329.450 3.673 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000266517636 1140697146 /nfs/dbraw/zinc/69/71/46/1140697146.db2.gz YVHWBGYGXFSLAK-RISCZKNCSA-N 1 2 349.887 3.951 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000267281283 1140775032 /nfs/dbraw/zinc/77/50/32/1140775032.db2.gz SDSJHSMHSVHWMC-ZWKOTPCHSA-N 1 2 343.496 3.726 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCn1cc[nH+]c1 ZINC000267948405 1140853738 /nfs/dbraw/zinc/85/37/38/1140853738.db2.gz AGIJUIMRIKZAHS-LLVKDONJSA-N 1 2 338.238 3.726 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000267992904 1140862845 /nfs/dbraw/zinc/86/28/45/1140862845.db2.gz YRDGQYPISQXYQP-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000267992904 1140862854 /nfs/dbraw/zinc/86/28/54/1140862854.db2.gz YRDGQYPISQXYQP-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268146241 1140892486 /nfs/dbraw/zinc/89/24/86/1140892486.db2.gz QPXORZPABUFQGT-KRWDZBQOSA-N 1 2 340.448 3.803 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268146241 1140892497 /nfs/dbraw/zinc/89/24/97/1140892497.db2.gz QPXORZPABUFQGT-KRWDZBQOSA-N 1 2 340.448 3.803 20 0 EHADLO COCCn1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cn1 ZINC000268310329 1140918857 /nfs/dbraw/zinc/91/88/57/1140918857.db2.gz BJTYGCDYJDPCIM-UHFFFAOYSA-N 1 2 340.254 3.615 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000268370902 1140928666 /nfs/dbraw/zinc/92/86/66/1140928666.db2.gz KGLDHCMWJIXHRN-WBVHZDCISA-N 1 2 343.496 3.702 20 0 EHADLO COc1ccsc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268771117 1140987823 /nfs/dbraw/zinc/98/78/23/1140987823.db2.gz DWPSEDJOLNXFMK-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000268866369 1141012395 /nfs/dbraw/zinc/01/23/95/1141012395.db2.gz FNAIFNOHUJIAOM-OLZOCXBDSA-N 1 2 329.469 3.990 20 0 EHADLO Cc1noc(CCC[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000268948303 1141032628 /nfs/dbraw/zinc/03/26/28/1141032628.db2.gz XOLNOSZUGKWUTD-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO Cc1noc(CCC[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000268948303 1141032634 /nfs/dbraw/zinc/03/26/34/1141032634.db2.gz XOLNOSZUGKWUTD-UHFFFAOYSA-N 1 2 326.227 3.676 20 0 EHADLO NC(=O)c1csc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000269160975 1141074145 /nfs/dbraw/zinc/07/41/45/1141074145.db2.gz UTPWJHFSQVQKKP-UHFFFAOYSA-N 1 2 341.263 3.933 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000269277027 1141087851 /nfs/dbraw/zinc/08/78/51/1141087851.db2.gz PHQJTYPYCOKECN-QGZVFWFLSA-N 1 2 346.434 3.800 20 0 EHADLO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000269298391 1141089705 /nfs/dbraw/zinc/08/97/05/1141089705.db2.gz XAPHADGDKOURBY-GFCCVEGCSA-N 1 2 340.880 3.781 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000269451764 1141110838 /nfs/dbraw/zinc/11/08/38/1141110838.db2.gz WAVVQEIYCJSKBB-SECBINFHSA-N 1 2 328.384 3.912 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269762540 1141142440 /nfs/dbraw/zinc/14/24/40/1141142440.db2.gz YTHLTNKSMYIEOA-DOTOQJQBSA-N 1 2 341.455 3.708 20 0 EHADLO CCSc1ccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000269820748 1141147765 /nfs/dbraw/zinc/14/77/65/1141147765.db2.gz PBYNVTVMDVLZHR-CRAIPNDOSA-N 1 2 343.496 3.647 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000269931274 1141159756 /nfs/dbraw/zinc/15/97/56/1141159756.db2.gz NAMAKTYVOHDVEN-ZDUSSCGKSA-N 1 2 326.227 3.892 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000269931274 1141159757 /nfs/dbraw/zinc/15/97/57/1141159757.db2.gz NAMAKTYVOHDVEN-ZDUSSCGKSA-N 1 2 326.227 3.892 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1-c1ccccn1 ZINC000270036484 1141171304 /nfs/dbraw/zinc/17/13/04/1141171304.db2.gz JCFNJYFIKDSZTK-INIZCTEOSA-N 1 2 346.434 3.800 20 0 EHADLO CCCC[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC ZINC000270105754 1141180055 /nfs/dbraw/zinc/18/00/55/1141180055.db2.gz DSUGXHAVSSMVQR-SFHVURJKSA-N 1 2 339.439 3.746 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270335298 1141208711 /nfs/dbraw/zinc/20/87/11/1141208711.db2.gz FLTHFWWXCHYAGI-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270335298 1141208713 /nfs/dbraw/zinc/20/87/13/1141208713.db2.gz FLTHFWWXCHYAGI-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)no1 ZINC000270338410 1141208883 /nfs/dbraw/zinc/20/88/83/1141208883.db2.gz PRUKHIRVBYERLR-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)no1 ZINC000270338410 1141208887 /nfs/dbraw/zinc/20/88/87/1141208887.db2.gz PRUKHIRVBYERLR-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000270466944 1141227427 /nfs/dbraw/zinc/22/74/27/1141227427.db2.gz BJAAVENWYGHGCO-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO Cc1nn2c(C[N@H+](C)Cc3ccc(Cl)s3)c(C)nc2s1 ZINC000271032647 1141297410 /nfs/dbraw/zinc/29/74/10/1141297410.db2.gz IIXBRNWYNDVXTO-UHFFFAOYSA-N 1 2 326.878 3.755 20 0 EHADLO Cc1nn2c(C[N@@H+](C)Cc3ccc(Cl)s3)c(C)nc2s1 ZINC000271032647 1141297414 /nfs/dbraw/zinc/29/74/14/1141297414.db2.gz IIXBRNWYNDVXTO-UHFFFAOYSA-N 1 2 326.878 3.755 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271278844 1141337879 /nfs/dbraw/zinc/33/78/79/1141337879.db2.gz BGAKCIKLHKBGTE-IBGZPJMESA-N 1 2 332.407 3.553 20 0 EHADLO CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271295617 1141341354 /nfs/dbraw/zinc/34/13/54/1141341354.db2.gz CYFXOWUQUMKWHK-UHFFFAOYSA-N 1 2 346.434 3.984 20 0 EHADLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000271684679 1141419129 /nfs/dbraw/zinc/41/91/29/1141419129.db2.gz DDZXHXFIKXXFTI-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO CC(C)OCCCc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000274019230 1141463717 /nfs/dbraw/zinc/46/37/17/1141463717.db2.gz YJCLZBQSKSWBSK-JXMROGBWSA-N 1 2 338.411 3.783 20 0 EHADLO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4[nH+]c(C)cn4c3)cc2)n1 ZINC000339126251 1141503804 /nfs/dbraw/zinc/50/38/04/1141503804.db2.gz VTFUOPCSAZSOCR-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000274416582 1141522280 /nfs/dbraw/zinc/52/22/80/1141522280.db2.gz KEDPMJGTMQJANT-LKUPDRCFSA-N 1 2 339.439 3.536 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553148 1141550969 /nfs/dbraw/zinc/55/09/69/1141550969.db2.gz NQKPWUOVKNVPDG-YLJYHZDGSA-N 1 2 339.483 3.868 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553148 1141550973 /nfs/dbraw/zinc/55/09/73/1141550973.db2.gz NQKPWUOVKNVPDG-YLJYHZDGSA-N 1 2 339.483 3.868 20 0 EHADLO C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348805451 1141582682 /nfs/dbraw/zinc/58/26/82/1141582682.db2.gz SGCUUGPQSHKNHT-QAPCUYQASA-N 1 2 346.434 3.649 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810980 1141584601 /nfs/dbraw/zinc/58/46/01/1141584601.db2.gz TYGJWWOPIRENBH-VKJFTORMSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810980 1141584607 /nfs/dbraw/zinc/58/46/07/1141584607.db2.gz TYGJWWOPIRENBH-VKJFTORMSA-N 1 2 330.472 3.626 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000348813643 1141585107 /nfs/dbraw/zinc/58/51/07/1141585107.db2.gz XEWKFTUGHMPLKE-OAHLLOKOSA-N 1 2 343.818 3.759 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000348813643 1141585112 /nfs/dbraw/zinc/58/51/12/1141585112.db2.gz XEWKFTUGHMPLKE-OAHLLOKOSA-N 1 2 343.818 3.759 20 0 EHADLO CSc1ccccc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348812581 1141585502 /nfs/dbraw/zinc/58/55/02/1141585502.db2.gz SILNACWLTZYFCZ-UHFFFAOYSA-N 1 2 337.448 3.866 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842501 1141594499 /nfs/dbraw/zinc/59/44/99/1141594499.db2.gz IQKHXHPWRMWHHX-JHJVBQTASA-N 1 2 342.405 3.714 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842501 1141594502 /nfs/dbraw/zinc/59/45/02/1141594502.db2.gz IQKHXHPWRMWHHX-JHJVBQTASA-N 1 2 342.405 3.714 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000348846471 1141595634 /nfs/dbraw/zinc/59/56/34/1141595634.db2.gz FFVKGDKDOKCGHT-INIZCTEOSA-N 1 2 336.439 3.768 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)n1 ZINC000348851239 1141597109 /nfs/dbraw/zinc/59/71/09/1141597109.db2.gz YMEIFSWAHSSQAZ-HNNXBMFYSA-N 1 2 337.370 3.749 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)n1 ZINC000348851239 1141597111 /nfs/dbraw/zinc/59/71/11/1141597111.db2.gz YMEIFSWAHSSQAZ-HNNXBMFYSA-N 1 2 337.370 3.749 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@@H]3c3cccnc3)c(C(C)C)nc2s1 ZINC000348895740 1141605516 /nfs/dbraw/zinc/60/55/16/1141605516.db2.gz RTQZRIIHQLOBBX-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@@H]3c3cccnc3)c(C(C)C)nc2s1 ZINC000348895740 1141605517 /nfs/dbraw/zinc/60/55/17/1141605517.db2.gz RTQZRIIHQLOBBX-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000349033118 1141624673 /nfs/dbraw/zinc/62/46/73/1141624673.db2.gz YXXZOBZJDLRXKM-HNNXBMFYSA-N 1 2 332.469 3.571 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000349033118 1141624675 /nfs/dbraw/zinc/62/46/75/1141624675.db2.gz YXXZOBZJDLRXKM-HNNXBMFYSA-N 1 2 332.469 3.571 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)cc1 ZINC000025414615 202130877 /nfs/dbraw/zinc/13/08/77/202130877.db2.gz XADYMPKNYOBPQX-GOSISDBHSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)cc1 ZINC000025414615 202130879 /nfs/dbraw/zinc/13/08/79/202130879.db2.gz XADYMPKNYOBPQX-GOSISDBHSA-N 1 2 328.387 3.610 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000036007376 202311849 /nfs/dbraw/zinc/31/18/49/202311849.db2.gz OTUUYTCFKAMZQG-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000036007376 202311851 /nfs/dbraw/zinc/31/18/51/202311851.db2.gz OTUUYTCFKAMZQG-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000225499868 201035058 /nfs/dbraw/zinc/03/50/58/201035058.db2.gz BKDOUJFTKSEHGF-GOEBONIOSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000225499868 201035060 /nfs/dbraw/zinc/03/50/60/201035060.db2.gz BKDOUJFTKSEHGF-GOEBONIOSA-N 1 2 340.345 3.618 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000036652235 201080555 /nfs/dbraw/zinc/08/05/55/201080555.db2.gz OQDSNQVWMQYRNK-UHFFFAOYSA-N 1 2 345.468 3.636 20 0 EHADLO Cc1ccccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000036652251 201081103 /nfs/dbraw/zinc/08/11/03/201081103.db2.gz NGBBQYRAHIRGEE-UHFFFAOYSA-N 1 2 329.469 3.936 20 0 EHADLO C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000736584033 599714004 /nfs/dbraw/zinc/71/40/04/599714004.db2.gz OMAYUXBSCWSUSZ-KRWDZBQOSA-N 1 2 349.434 3.595 20 0 EHADLO C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000736584033 599714005 /nfs/dbraw/zinc/71/40/05/599714005.db2.gz OMAYUXBSCWSUSZ-KRWDZBQOSA-N 1 2 349.434 3.595 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789128 600285104 /nfs/dbraw/zinc/28/51/04/600285104.db2.gz KBRBLCYGEFQHNE-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789128 600285102 /nfs/dbraw/zinc/28/51/02/600285102.db2.gz KBRBLCYGEFQHNE-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789128 600285105 /nfs/dbraw/zinc/28/51/05/600285105.db2.gz KBRBLCYGEFQHNE-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789128 600285107 /nfs/dbraw/zinc/28/51/07/600285107.db2.gz KBRBLCYGEFQHNE-HOTGVXAUSA-N 1 2 348.462 3.610 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000833347769 601383331 /nfs/dbraw/zinc/38/33/31/601383331.db2.gz RYUYAPZOVDZPAN-LBPRGKRZSA-N 1 2 341.436 3.702 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000833347769 601383332 /nfs/dbraw/zinc/38/33/32/601383332.db2.gz RYUYAPZOVDZPAN-LBPRGKRZSA-N 1 2 341.436 3.702 20 0 EHADLO O=C([O-])Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000834263228 605592638 /nfs/dbraw/zinc/59/26/38/605592638.db2.gz RJVHDUCDLRDDBM-IBGZPJMESA-N 1 2 348.406 3.739 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413430 606173395 /nfs/dbraw/zinc/17/33/95/606173395.db2.gz PVONXBZBMUQJTA-NWDGAFQWSA-N 1 2 340.431 3.564 20 0 EHADLO c1cc([C@H]2CCCN2c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cs1 ZINC000823792602 606456339 /nfs/dbraw/zinc/45/63/39/606456339.db2.gz ZEAXEVLQYDWIMX-MRXNPFEDSA-N 1 2 348.435 3.818 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531024 609324085 /nfs/dbraw/zinc/32/40/85/609324085.db2.gz OBKKIEDNUGXFOL-UWVGGRQHSA-N 1 2 347.344 3.696 20 0 EHADLO O=C([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001595244965 949510631 /nfs/dbraw/zinc/51/06/31/949510631.db2.gz JKCPOOFLPIKOKF-PMACEKPBSA-N 1 2 347.418 3.600 20 0 EHADLO COCc1cc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)no1 ZINC000459396800 1032062782 /nfs/dbraw/zinc/06/27/82/1032062782.db2.gz WNSHVFIWKJCEIZ-SNVBAGLBSA-N 1 2 330.306 3.570 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000305762080 1125462681 /nfs/dbraw/zinc/46/26/81/1125462681.db2.gz FGGCVQIEBJJCPQ-QGZVFWFLSA-N 1 2 326.371 3.694 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536651026 1032064741 /nfs/dbraw/zinc/06/47/41/1032064741.db2.gz FOTGETCIPDQNSI-HZPDHXFCSA-N 1 2 326.444 3.602 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658691 1032071156 /nfs/dbraw/zinc/07/11/56/1032071156.db2.gz RNQUNJVSDGSANL-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658691 1032071161 /nfs/dbraw/zinc/07/11/61/1032071161.db2.gz RNQUNJVSDGSANL-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449037096 1032079454 /nfs/dbraw/zinc/07/94/54/1032079454.db2.gz MDVNWZFEZQZCRS-SFHVURJKSA-N 1 2 338.407 3.954 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449037096 1032079468 /nfs/dbraw/zinc/07/94/68/1032079468.db2.gz MDVNWZFEZQZCRS-SFHVURJKSA-N 1 2 338.407 3.954 20 0 EHADLO COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000339276034 1014143714 /nfs/dbraw/zinc/14/37/14/1014143714.db2.gz ZXKSHXYCNDCQNG-UHFFFAOYSA-N 1 2 346.390 3.899 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000274519669 1014175316 /nfs/dbraw/zinc/17/53/16/1014175316.db2.gz YQYUKQWKFYMAHO-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)[nH]2)cc1 ZINC000683079900 1014206846 /nfs/dbraw/zinc/20/68/46/1014206846.db2.gz XEUUDHRIZCCXPJ-UHFFFAOYSA-N 1 2 339.349 3.521 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000536666412 1032087030 /nfs/dbraw/zinc/08/70/30/1032087030.db2.gz LOTNBQKRMXTMQH-MEDUHNTESA-N 1 2 327.346 3.606 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000536666412 1032087042 /nfs/dbraw/zinc/08/70/42/1032087042.db2.gz LOTNBQKRMXTMQH-MEDUHNTESA-N 1 2 327.346 3.606 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCN(CC4CC4)c4ccccc43)ccn12 ZINC000579728456 1014305399 /nfs/dbraw/zinc/30/53/99/1014305399.db2.gz GWQTXTDJMGKHMV-UHFFFAOYSA-N 1 2 346.434 3.520 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000339400221 1014342334 /nfs/dbraw/zinc/34/23/34/1014342334.db2.gz MIXRZCBTFRPDSF-AWEZNQCLSA-N 1 2 325.387 3.871 20 0 EHADLO CCc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)s1 ZINC000579744167 1014362171 /nfs/dbraw/zinc/36/21/71/1014362171.db2.gz WGGXYAQKIGRQCV-SECBINFHSA-N 1 2 326.263 3.714 20 0 EHADLO COc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(Cl)c1 ZINC000339421660 1014387398 /nfs/dbraw/zinc/38/73/98/1014387398.db2.gz BRBNKNPNBYBZDO-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(Cl)c1 ZINC000339421660 1014387410 /nfs/dbraw/zinc/38/74/10/1014387410.db2.gz BRBNKNPNBYBZDO-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000339461253 1014515911 /nfs/dbraw/zinc/51/59/11/1014515911.db2.gz BOEWTZPMIYWRRY-JTQLQIEISA-N 1 2 341.228 3.611 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339475289 1014547642 /nfs/dbraw/zinc/54/76/42/1014547642.db2.gz XJERKWOZHRWTDL-ZWKOTPCHSA-N 1 2 325.456 3.566 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339474851 1014548241 /nfs/dbraw/zinc/54/82/41/1014548241.db2.gz BCBCYZCCYOVXLM-MSOLQXFVSA-N 1 2 325.456 3.566 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ncc(C(C)C)s3)[nH+]c12 ZINC000683153517 1014565368 /nfs/dbraw/zinc/56/53/68/1014565368.db2.gz LIMRTTIVEVHAKD-UHFFFAOYSA-N 1 2 343.456 3.587 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000510062920 1014569668 /nfs/dbraw/zinc/56/96/68/1014569668.db2.gz AMDYFUSFKDJGMC-GFCCVEGCSA-N 1 2 348.393 3.945 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000628185651 1032097282 /nfs/dbraw/zinc/09/72/82/1032097282.db2.gz GDANUYQKLZLZDX-NSHDSACASA-N 1 2 347.324 3.902 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000646883569 1014672351 /nfs/dbraw/zinc/67/23/51/1014672351.db2.gz FEPPQLKVYYEQAY-DAYGRLMNSA-N 1 2 341.455 3.601 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000650107110 1014859950 /nfs/dbraw/zinc/85/99/50/1014859950.db2.gz ILVWZFCRGMKWCO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000650107110 1014859964 /nfs/dbraw/zinc/85/99/64/1014859964.db2.gz ILVWZFCRGMKWCO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000655053429 1014891047 /nfs/dbraw/zinc/89/10/47/1014891047.db2.gz VMKKIPIVWPSVLV-ZDUSSCGKSA-N 1 2 349.837 3.729 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000655053429 1014891055 /nfs/dbraw/zinc/89/10/55/1014891055.db2.gz VMKKIPIVWPSVLV-ZDUSSCGKSA-N 1 2 349.837 3.729 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728197614 1014944768 /nfs/dbraw/zinc/94/47/68/1014944768.db2.gz FRXCNIOHZGXITD-YLJYHZDGSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728197614 1014944779 /nfs/dbraw/zinc/94/47/79/1014944779.db2.gz FRXCNIOHZGXITD-YLJYHZDGSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1cccc2sc(C(=O)NCCc3cn(C)c[nH+]3)c(Cl)c21 ZINC000655107255 1015006528 /nfs/dbraw/zinc/00/65/28/1015006528.db2.gz NZFFYVQATSCGGA-UHFFFAOYSA-N 1 2 333.844 3.569 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cncc(Cl)c2Cl)c(F)c1 ZINC001206777126 1015020474 /nfs/dbraw/zinc/02/04/74/1015020474.db2.gz NCJWLBHFOGRPTM-UHFFFAOYSA-N 1 2 343.185 3.604 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)cn1 ZINC000339595610 1015128383 /nfs/dbraw/zinc/12/83/83/1015128383.db2.gz SVQNVUFZAVFGHL-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)cn1 ZINC000339595610 1015128391 /nfs/dbraw/zinc/12/83/91/1015128391.db2.gz SVQNVUFZAVFGHL-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO C[N@H+](Cc1ccccc1F)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167077811 1015183790 /nfs/dbraw/zinc/18/37/90/1015183790.db2.gz NWGLCZLQDZKBRK-SFHVURJKSA-N 1 2 330.378 3.592 20 0 EHADLO C[N@@H+](Cc1ccccc1F)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167077811 1015183797 /nfs/dbraw/zinc/18/37/97/1015183797.db2.gz NWGLCZLQDZKBRK-SFHVURJKSA-N 1 2 330.378 3.592 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000655208730 1015229650 /nfs/dbraw/zinc/22/96/50/1015229650.db2.gz MPYSOUMSTBHQEB-UYAOXDASSA-N 1 2 346.434 3.676 20 0 EHADLO CC[C@@H]1c2ccccc2CN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000890617001 1015290416 /nfs/dbraw/zinc/29/04/16/1015290416.db2.gz ZXPZBOYYNXSAKL-OAQYLSRUSA-N 1 2 345.446 3.967 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000748083457 1015376153 /nfs/dbraw/zinc/37/61/53/1015376153.db2.gz NWMROVMZLJCFPI-CQSZACIVSA-N 1 2 336.530 3.798 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000748083457 1015376165 /nfs/dbraw/zinc/37/61/65/1015376165.db2.gz NWMROVMZLJCFPI-CQSZACIVSA-N 1 2 336.530 3.798 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430255049 1015385110 /nfs/dbraw/zinc/38/51/10/1015385110.db2.gz HTIRTWWYQVFGRG-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430255049 1015385116 /nfs/dbraw/zinc/38/51/16/1015385116.db2.gz HTIRTWWYQVFGRG-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncccc2C(F)(F)F)c1C ZINC000339692162 1015543011 /nfs/dbraw/zinc/54/30/11/1015543011.db2.gz XCSVDJUWXLECTH-UHFFFAOYSA-N 1 2 325.334 3.757 20 0 EHADLO c1nn(C[NH+]2CCSCC2)c2cc(OCc3ccccc3)ccc12 ZINC000748087483 1015655815 /nfs/dbraw/zinc/65/58/15/1015655815.db2.gz OARDUPRGDISZDS-UHFFFAOYSA-N 1 2 339.464 3.622 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792308 1015677226 /nfs/dbraw/zinc/67/72/26/1015677226.db2.gz NVZJNCLQTIMJJW-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792308 1015677230 /nfs/dbraw/zinc/67/72/30/1015677230.db2.gz NVZJNCLQTIMJJW-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339830382 1015712942 /nfs/dbraw/zinc/71/29/42/1015712942.db2.gz KVUUMFFRFYGFDE-UHFFFAOYSA-N 1 2 340.389 3.618 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339830382 1015712947 /nfs/dbraw/zinc/71/29/47/1015712947.db2.gz KVUUMFFRFYGFDE-UHFFFAOYSA-N 1 2 340.389 3.618 20 0 EHADLO C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)(F)F ZINC000339848111 1015748911 /nfs/dbraw/zinc/74/89/11/1015748911.db2.gz RXHXAYFXWPVGGL-LLVKDONJSA-N 1 2 335.329 3.739 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000339876876 1015803116 /nfs/dbraw/zinc/80/31/16/1015803116.db2.gz CNOROAKYNHVOKY-SFHVURJKSA-N 1 2 331.375 3.571 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000154824044 1015823003 /nfs/dbraw/zinc/82/30/03/1015823003.db2.gz WFCPVSQCBZLNFF-PMACEKPBSA-N 1 2 333.435 3.689 20 0 EHADLO CCc1nc(N2CCC[C@H]2c2ccc(Br)cn2)cc(C)[nH+]1 ZINC000413373357 1015884663 /nfs/dbraw/zinc/88/46/63/1015884663.db2.gz KHJTZUUUMRPYFD-AWEZNQCLSA-N 1 2 347.260 3.846 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000180415478 1015952757 /nfs/dbraw/zinc/95/27/57/1015952757.db2.gz PCRFYDGNCKUHSM-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000180415478 1015952761 /nfs/dbraw/zinc/95/27/61/1015952761.db2.gz PCRFYDGNCKUHSM-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1-n1cccn1 ZINC000183130877 1032134943 /nfs/dbraw/zinc/13/49/43/1032134943.db2.gz FXPWGRKIPOHIGA-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000924799456 1032136614 /nfs/dbraw/zinc/13/66/14/1032136614.db2.gz SOPFEYCBZUGSCZ-ZDUSSCGKSA-N 1 2 334.803 3.575 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000155039124 1016071542 /nfs/dbraw/zinc/07/15/42/1016071542.db2.gz HXUREMDHZBEHGR-UHFFFAOYSA-N 1 2 340.254 3.671 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859935 1016082165 /nfs/dbraw/zinc/08/21/65/1016082165.db2.gz ZHUQBSCHPZRZJG-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc4c(c3)CCC4)CCC2)n1 ZINC000275140584 1016090998 /nfs/dbraw/zinc/09/09/98/1016090998.db2.gz DQBKAAWHHPIWGV-UHFFFAOYSA-N 1 2 341.480 3.548 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000657839630 1032140245 /nfs/dbraw/zinc/14/02/45/1032140245.db2.gz XZSKXRWUMKFHAT-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1sccc1F ZINC000340036169 1016152749 /nfs/dbraw/zinc/15/27/49/1016152749.db2.gz AIDMUWBSZRAMIJ-UHFFFAOYSA-N 1 2 333.432 3.593 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459450972 1032141736 /nfs/dbraw/zinc/14/17/36/1032141736.db2.gz URIRFCSPLNSUTK-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000151819071 1032142654 /nfs/dbraw/zinc/14/26/54/1032142654.db2.gz MMZCQXZANXOSMP-BXUZGUMPSA-N 1 2 349.887 3.815 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000109621429 1016191470 /nfs/dbraw/zinc/19/14/70/1016191470.db2.gz OBSOXZQGHWAEMM-HNNXBMFYSA-N 1 2 345.462 3.990 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000025417584 1016285973 /nfs/dbraw/zinc/28/59/73/1016285973.db2.gz QMNTYXUQFUZZMW-NRFANRHFSA-N 1 2 349.409 3.847 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCC[C@@H]1C ZINC000340107386 1016321200 /nfs/dbraw/zinc/32/12/00/1016321200.db2.gz WVMIULMLKYYSKN-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(Cl)s1)C2 ZINC001204445673 1016344143 /nfs/dbraw/zinc/34/41/43/1016344143.db2.gz LUDIAGJEMLZLLQ-UHFFFAOYSA-N 1 2 342.892 3.891 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1cccc(F)c1 ZINC000115560877 1016382663 /nfs/dbraw/zinc/38/26/63/1016382663.db2.gz RYQGIUIGNXRIOO-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)Nc1cccc(F)c1 ZINC000115560877 1016382675 /nfs/dbraw/zinc/38/26/75/1016382675.db2.gz RYQGIUIGNXRIOO-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2cc3c(c(Cl)c2)OCO3)c(C)[nH+]1 ZINC000547810144 1016574248 /nfs/dbraw/zinc/57/42/48/1016574248.db2.gz JWLQULJGTAXMMG-JOCHJYFZSA-N 1 2 337.828 3.529 20 0 EHADLO CC[N@H+](Cc1csnc1OC)Cc1cccc(Br)c1 ZINC001167218152 1016620327 /nfs/dbraw/zinc/62/03/27/1016620327.db2.gz NDGHDPHYIHQFEL-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CC[N@@H+](Cc1csnc1OC)Cc1cccc(Br)c1 ZINC001167218152 1016620333 /nfs/dbraw/zinc/62/03/33/1016620333.db2.gz NDGHDPHYIHQFEL-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(Sc2ccccc2)c1 ZINC000362341342 1016718031 /nfs/dbraw/zinc/71/80/31/1016718031.db2.gz GEIZJJCBZDVJFA-UHFFFAOYSA-N 1 2 337.448 3.810 20 0 EHADLO CC(=O)c1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000728242822 1016789884 /nfs/dbraw/zinc/78/98/84/1016789884.db2.gz RZGQROKUYVSYIG-UHFFFAOYSA-N 1 2 334.375 3.662 20 0 EHADLO Clc1ccc2nc(C[NH2+]Cc3ccc(Br)o3)cn2c1 ZINC000178901581 1016811796 /nfs/dbraw/zinc/81/17/96/1016811796.db2.gz OXHCQQFANQVWJF-UHFFFAOYSA-N 1 2 340.608 3.633 20 0 EHADLO CC[N@H+](Cc1ccoc1)Cc1c(Cl)cccc1N1CCOCC1 ZINC000648366545 1016832705 /nfs/dbraw/zinc/83/27/05/1016832705.db2.gz PFVVLQVPWJVWEK-UHFFFAOYSA-N 1 2 334.847 3.792 20 0 EHADLO CC[N@@H+](Cc1ccoc1)Cc1c(Cl)cccc1N1CCOCC1 ZINC000648366545 1016832722 /nfs/dbraw/zinc/83/27/22/1016832722.db2.gz PFVVLQVPWJVWEK-UHFFFAOYSA-N 1 2 334.847 3.792 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000046341631 1016853313 /nfs/dbraw/zinc/85/33/13/1016853313.db2.gz HMAGDBFIHGYBIT-ZIAGYGMSSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1O ZINC000340327049 1016950432 /nfs/dbraw/zinc/95/04/32/1016950432.db2.gz OYOPNFKSYUBWIY-INIZCTEOSA-N 1 2 330.815 3.567 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1O ZINC000340327049 1016950439 /nfs/dbraw/zinc/95/04/39/1016950439.db2.gz OYOPNFKSYUBWIY-INIZCTEOSA-N 1 2 330.815 3.567 20 0 EHADLO c1csc(-c2nc(CNCc3c[nH+]c4n3CCCC4)cs2)c1 ZINC000376726726 1016996133 /nfs/dbraw/zinc/99/61/33/1016996133.db2.gz BASXUHWUVJRVKX-UHFFFAOYSA-N 1 2 330.482 3.694 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000188114250 1017025287 /nfs/dbraw/zinc/02/52/87/1017025287.db2.gz QBCIGDJTOYJNDW-NRFANRHFSA-N 1 2 347.462 3.843 20 0 EHADLO COC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528378127 1032185570 /nfs/dbraw/zinc/18/55/70/1032185570.db2.gz CNSCVFBYLAZQMW-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528378127 1032185584 /nfs/dbraw/zinc/18/55/84/1032185584.db2.gz CNSCVFBYLAZQMW-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2cccc(OCC)c2)cs1 ZINC000538175360 1032196667 /nfs/dbraw/zinc/19/66/67/1032196667.db2.gz CALQJEBNJNQNPO-GFCCVEGCSA-N 1 2 334.441 3.569 20 0 EHADLO CCOc1cc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cc(Cl)c1O ZINC000459501439 1032201969 /nfs/dbraw/zinc/20/19/69/1032201969.db2.gz FCBNRILWNYFRTM-HNNXBMFYSA-N 1 2 338.879 3.551 20 0 EHADLO CCOc1cc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cc(Cl)c1O ZINC000459501439 1032201983 /nfs/dbraw/zinc/20/19/83/1032201983.db2.gz FCBNRILWNYFRTM-HNNXBMFYSA-N 1 2 338.879 3.551 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179081031 1032212220 /nfs/dbraw/zinc/21/22/20/1032212220.db2.gz INBXMXYQEOBSRX-GRNBYLDVSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(Cl)c1 ZINC000459518259 1032226295 /nfs/dbraw/zinc/22/62/95/1032226295.db2.gz SOXGIBDLHCOJCW-QWQRMKEZSA-N 1 2 341.854 3.946 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(Cl)c1 ZINC000459518259 1032226307 /nfs/dbraw/zinc/22/63/07/1032226307.db2.gz SOXGIBDLHCOJCW-QWQRMKEZSA-N 1 2 341.854 3.946 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)co1 ZINC000528403613 1032240042 /nfs/dbraw/zinc/24/00/42/1032240042.db2.gz DILKXIIFNFCXSR-MRXNPFEDSA-N 1 2 325.474 3.618 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)co1 ZINC000528403613 1032240049 /nfs/dbraw/zinc/24/00/49/1032240049.db2.gz DILKXIIFNFCXSR-MRXNPFEDSA-N 1 2 325.474 3.618 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528407420 1032245849 /nfs/dbraw/zinc/24/58/49/1032245849.db2.gz PTLPTUVWKCLAHP-QGZVFWFLSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528407420 1032245856 /nfs/dbraw/zinc/24/58/56/1032245856.db2.gz PTLPTUVWKCLAHP-QGZVFWFLSA-N 1 2 347.821 3.958 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000459534463 1032254451 /nfs/dbraw/zinc/25/44/51/1032254451.db2.gz QFIAQCMGGQAXTB-KRWDZBQOSA-N 1 2 329.444 3.577 20 0 EHADLO Fc1cc(Cn2cc[nH+]c2)cc(-c2cnc(C3CCOCC3)o2)c1 ZINC000904797260 1032255890 /nfs/dbraw/zinc/25/58/90/1032255890.db2.gz VVQFGTBCEWKBGG-UHFFFAOYSA-N 1 2 327.359 3.620 20 0 EHADLO C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000278742592 1032262034 /nfs/dbraw/zinc/26/20/34/1032262034.db2.gz RJNOGAGXRKIBFE-MRXNPFEDSA-N 1 2 348.450 3.961 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)co1 ZINC000528426114 1032281263 /nfs/dbraw/zinc/28/12/63/1032281263.db2.gz CYBIMJLFFHCLSB-GOSISDBHSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)co1 ZINC000528426114 1032281269 /nfs/dbraw/zinc/28/12/69/1032281269.db2.gz CYBIMJLFFHCLSB-GOSISDBHSA-N 1 2 347.480 3.670 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ncccc3Cl)C2)n1 ZINC000528443806 1032285588 /nfs/dbraw/zinc/28/55/88/1032285588.db2.gz SMUIMHMQEPXLPN-NSHDSACASA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ncccc3Cl)C2)n1 ZINC000528443806 1032285594 /nfs/dbraw/zinc/28/55/94/1032285594.db2.gz SMUIMHMQEPXLPN-NSHDSACASA-N 1 2 344.768 3.787 20 0 EHADLO c1cc(Oc2ccccc2)oc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000184715084 1032320116 /nfs/dbraw/zinc/32/01/16/1032320116.db2.gz AZYASJYDDIGOJD-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C)(C3CC3)CC1)C2 ZINC000461199607 1032325755 /nfs/dbraw/zinc/32/57/55/1032325755.db2.gz QAKBWFIYYSHGHJ-CQSZACIVSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C)(C3CC3)CC1)CC2 ZINC000461199607 1032325765 /nfs/dbraw/zinc/32/57/65/1032325765.db2.gz QAKBWFIYYSHGHJ-CQSZACIVSA-N 1 2 329.488 3.677 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886430 1032329066 /nfs/dbraw/zinc/32/90/66/1032329066.db2.gz KYSORGOSHGBXRO-ZIAGYGMSSA-N 1 2 329.444 3.686 20 0 EHADLO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184895173 1032329783 /nfs/dbraw/zinc/32/97/83/1032329783.db2.gz VSZMPEYHZZROBE-CQSZACIVSA-N 1 2 335.407 3.552 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666565 1032337595 /nfs/dbraw/zinc/33/75/95/1032337595.db2.gz XPYDTZWGIRUXTF-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666565 1032337605 /nfs/dbraw/zinc/33/76/05/1032337605.db2.gz XPYDTZWGIRUXTF-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000459650040 1032370245 /nfs/dbraw/zinc/37/02/45/1032370245.db2.gz LUAFAGYSJQVDPA-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)nc2c1 ZINC000528486884 1032379539 /nfs/dbraw/zinc/37/95/39/1032379539.db2.gz KHOBJODPTHMYLI-ZRGWGRIASA-N 1 2 346.496 3.763 20 0 EHADLO Cc1ccc2sc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)nc2c1 ZINC000528486884 1032379547 /nfs/dbraw/zinc/37/95/47/1032379547.db2.gz KHOBJODPTHMYLI-ZRGWGRIASA-N 1 2 346.496 3.763 20 0 EHADLO S=C(NCCCn1cc[nH+]c1)Nc1cccc(Cl)c1Cl ZINC000039973958 1032407365 /nfs/dbraw/zinc/40/73/65/1032407365.db2.gz FIANXQNIYGOHPN-UHFFFAOYSA-N 1 2 329.256 3.567 20 0 EHADLO C[C@H](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)n1cc[nH+]c1 ZINC000584401534 1032422300 /nfs/dbraw/zinc/42/23/00/1032422300.db2.gz IGKXCEFXEBWWPA-LLVKDONJSA-N 1 2 330.388 3.736 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536911518 1032423765 /nfs/dbraw/zinc/42/37/65/1032423765.db2.gz PDXJZMYCMQZXMA-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536911518 1032423769 /nfs/dbraw/zinc/42/37/69/1032423769.db2.gz PDXJZMYCMQZXMA-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)sc1C ZINC000278761076 1032425863 /nfs/dbraw/zinc/42/58/63/1032425863.db2.gz BOOINCNCAJGXDH-UHFFFAOYSA-N 1 2 330.501 3.672 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449332507 1032443118 /nfs/dbraw/zinc/44/31/18/1032443118.db2.gz RPKKQSCDFXVLDQ-SFHVURJKSA-N 1 2 347.480 3.682 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449332507 1032443123 /nfs/dbraw/zinc/44/31/23/1032443123.db2.gz RPKKQSCDFXVLDQ-SFHVURJKSA-N 1 2 347.480 3.682 20 0 EHADLO COCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000528575629 1032455634 /nfs/dbraw/zinc/45/56/34/1032455634.db2.gz AZEKVPZNDXCKAT-GFCCVEGCSA-N 1 2 342.842 3.555 20 0 EHADLO C[NH+](C)[C@H](CNc1ccnc2ccncc21)c1c(F)cccc1F ZINC000085687066 1032466452 /nfs/dbraw/zinc/46/64/52/1032466452.db2.gz JNONAUJWDOPJDX-QGZVFWFLSA-N 1 2 328.366 3.623 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)[nH]2)cc1 ZINC000537016909 1032473206 /nfs/dbraw/zinc/47/32/06/1032473206.db2.gz ZUEVQKUXQLLDNB-GOSISDBHSA-N 1 2 340.377 3.991 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)n2)cc1 ZINC000537016909 1032473211 /nfs/dbraw/zinc/47/32/11/1032473211.db2.gz ZUEVQKUXQLLDNB-GOSISDBHSA-N 1 2 340.377 3.991 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCCC(=O)c1ccccc1)C2 ZINC000528598600 1032481752 /nfs/dbraw/zinc/48/17/52/1032481752.db2.gz RWJOZOLJSXZKCG-UHFFFAOYSA-N 1 2 337.467 3.795 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCCC(=O)c1ccccc1)C2 ZINC000528598600 1032481758 /nfs/dbraw/zinc/48/17/58/1032481758.db2.gz RWJOZOLJSXZKCG-UHFFFAOYSA-N 1 2 337.467 3.795 20 0 EHADLO CC(C)([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1nc2ccccc2s1 ZINC000528601855 1032488560 /nfs/dbraw/zinc/48/85/60/1032488560.db2.gz HVGBZGRMDDVYTA-UHFFFAOYSA-N 1 2 340.452 3.694 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC000537104762 1032514552 /nfs/dbraw/zinc/51/45/52/1032514552.db2.gz RXRPDVRYUJEOKW-LBPRGKRZSA-N 1 2 333.457 3.536 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000088785231 1032511476 /nfs/dbraw/zinc/51/14/76/1032511476.db2.gz YRUJIBSRBYZMPT-HIFRSBDPSA-N 1 2 330.407 3.507 20 0 EHADLO COc1ccsc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449399809 1032521429 /nfs/dbraw/zinc/52/14/29/1032521429.db2.gz DMXOGLWGEATSIF-UHFFFAOYSA-N 1 2 333.276 3.574 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2nc(C)c(Br)s2)c1 ZINC000449400106 1032523803 /nfs/dbraw/zinc/52/38/03/1032523803.db2.gz HGSNDSZRQSMUCD-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[nH]1 ZINC000449406285 1032528689 /nfs/dbraw/zinc/52/86/89/1032528689.db2.gz WFQHWRGXBTWXSQ-UHFFFAOYSA-N 1 2 349.410 3.620 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625286249 1017313440 /nfs/dbraw/zinc/31/34/40/1017313440.db2.gz ZDBMMEMGFUESKP-AWEZNQCLSA-N 1 2 349.272 3.617 20 0 EHADLO COC(=O)CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000601998617 1032586973 /nfs/dbraw/zinc/58/69/73/1032586973.db2.gz HQMLYCHYEKQYRH-OAHLLOKOSA-N 1 2 342.370 3.751 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1ncccc1F ZINC000090721225 1032591220 /nfs/dbraw/zinc/59/12/20/1032591220.db2.gz FRKZYANAEVCLET-ZDUSSCGKSA-N 1 2 339.183 3.899 20 0 EHADLO O=C(/C=C/c1ccccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012121 1017105126 /nfs/dbraw/zinc/10/51/26/1017105126.db2.gz HPVZWEMHPXFGRL-BQYQJAHWSA-N 1 2 341.842 3.665 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cn1 ZINC000090883375 1032604606 /nfs/dbraw/zinc/60/46/06/1032604606.db2.gz MYAZYSZFMXCKNG-ZDUSSCGKSA-N 1 2 345.397 3.779 20 0 EHADLO CCC(CC)N(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000460133207 1032609271 /nfs/dbraw/zinc/60/92/71/1032609271.db2.gz WGECVKDGSMOZJT-UHFFFAOYSA-N 1 2 328.460 3.652 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1CCC(C)CC1 ZINC000606238164 1032613810 /nfs/dbraw/zinc/61/38/10/1032613810.db2.gz UWTWKKBPOMMBRF-UHFFFAOYSA-N 1 2 344.499 3.982 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C)c3C)CC2)s1 ZINC000606395883 1032672596 /nfs/dbraw/zinc/67/25/96/1032672596.db2.gz YFZYOEOVDVQIJQ-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047155 1032680535 /nfs/dbraw/zinc/68/05/35/1032680535.db2.gz UKVPOBYTVIDBCO-FZKQIMNGSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047155 1032680542 /nfs/dbraw/zinc/68/05/42/1032680542.db2.gz UKVPOBYTVIDBCO-FZKQIMNGSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1csc(C[NH2+]Cc2ccccc2OCc2cccnc2)n1 ZINC000340390334 1017174235 /nfs/dbraw/zinc/17/42/35/1017174235.db2.gz PKACTAGEOCSAPY-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1sccc1Br ZINC000579920513 1017178370 /nfs/dbraw/zinc/17/83/70/1017178370.db2.gz IEQRMPSCQKPPPX-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC(C)(C)C1CCC1)c1ccccc1 ZINC000655621940 1017309286 /nfs/dbraw/zinc/30/92/86/1017309286.db2.gz WZTBXKCJZBARSA-QGZVFWFLSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625286249 1017313425 /nfs/dbraw/zinc/31/34/25/1017313425.db2.gz ZDBMMEMGFUESKP-AWEZNQCLSA-N 1 2 349.272 3.617 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001143487018 1017321907 /nfs/dbraw/zinc/32/19/07/1017321907.db2.gz HYQWJWUHYPOBDJ-GJZGRUSLSA-N 1 2 343.373 3.775 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001143487018 1017321912 /nfs/dbraw/zinc/32/19/12/1017321912.db2.gz HYQWJWUHYPOBDJ-GJZGRUSLSA-N 1 2 343.373 3.775 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)C1CCCCC1 ZINC000606450092 1032691346 /nfs/dbraw/zinc/69/13/46/1032691346.db2.gz OJNDKIDVDKREGA-OAHLLOKOSA-N 1 2 332.463 3.926 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)C1CCCCC1 ZINC000606450092 1032691361 /nfs/dbraw/zinc/69/13/61/1032691361.db2.gz OJNDKIDVDKREGA-OAHLLOKOSA-N 1 2 332.463 3.926 20 0 EHADLO Cc1cccc(C[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)c1 ZINC000537394765 1032693553 /nfs/dbraw/zinc/69/35/53/1032693553.db2.gz PAZILHNFYZYLFT-HXUWFJFHSA-N 1 2 337.467 3.660 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccc(F)cc1 ZINC000606449724 1032695398 /nfs/dbraw/zinc/69/53/98/1032695398.db2.gz CEFZNQJUMYVXTJ-KGLIPLIRSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccc(F)cc1 ZINC000606449724 1032695411 /nfs/dbraw/zinc/69/54/11/1032695411.db2.gz CEFZNQJUMYVXTJ-KGLIPLIRSA-N 1 2 344.405 3.761 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000181744950 1017397364 /nfs/dbraw/zinc/39/73/64/1017397364.db2.gz PYNQEUVNGOCYDG-UHFFFAOYSA-N 1 2 341.798 3.828 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)cs1 ZINC000655733376 1017487495 /nfs/dbraw/zinc/48/74/95/1017487495.db2.gz MECNZJQANGNREA-UHFFFAOYSA-N 1 2 326.469 3.798 20 0 EHADLO C([NH2+]C1CCC(C2CCCCC2)CC1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794216 1017622719 /nfs/dbraw/zinc/62/27/19/1017622719.db2.gz JWNBLSLNHULDTE-JCYILVPMSA-N 1 2 332.492 3.885 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000655797175 1017634977 /nfs/dbraw/zinc/63/49/77/1017634977.db2.gz MIWXXBIEOUJQSH-GWCFXTLKSA-N 1 2 340.349 3.526 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(F)ccc1OC(F)F ZINC000659839438 1017637386 /nfs/dbraw/zinc/63/73/86/1017637386.db2.gz WYAIVABUUIKGMI-UHFFFAOYSA-N 1 2 329.318 3.669 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(F)ccc1OC(F)F ZINC000659839438 1017637390 /nfs/dbraw/zinc/63/73/90/1017637390.db2.gz WYAIVABUUIKGMI-UHFFFAOYSA-N 1 2 329.318 3.669 20 0 EHADLO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655799489 1017640158 /nfs/dbraw/zinc/64/01/58/1017640158.db2.gz GTFTYLVYEPKNSE-GWNJHRMDSA-N 1 2 344.503 3.741 20 0 EHADLO C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340417998 1017645038 /nfs/dbraw/zinc/64/50/38/1017645038.db2.gz TYLBFVHHWHDYNN-GFCCVEGCSA-N 1 2 339.374 3.675 20 0 EHADLO Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)on2)cc1 ZINC000375620086 1017656541 /nfs/dbraw/zinc/65/65/41/1017656541.db2.gz UXJSJZCVWBVPCZ-GOSISDBHSA-N 1 2 326.375 3.931 20 0 EHADLO Fc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)on2)cc1 ZINC000375620086 1017656549 /nfs/dbraw/zinc/65/65/49/1017656549.db2.gz UXJSJZCVWBVPCZ-GOSISDBHSA-N 1 2 326.375 3.931 20 0 EHADLO c1cc(C2CCCC2)ccc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655818594 1017683057 /nfs/dbraw/zinc/68/30/57/1017683057.db2.gz LXPKXZOWBUCCED-QGZVFWFLSA-N 1 2 326.444 3.604 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(Cl)nc3)n2)c1 ZINC000177587469 1017700921 /nfs/dbraw/zinc/70/09/21/1017700921.db2.gz ICVZUNNDFIRLEV-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162284759 1017719007 /nfs/dbraw/zinc/71/90/07/1017719007.db2.gz ULCGREFRGXIJSU-UONOGXRCSA-N 1 2 336.505 3.594 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@H+](CCS(=O)(=O)C(C)C)CC1 ZINC000528742537 1032718379 /nfs/dbraw/zinc/71/83/79/1032718379.db2.gz WMHAJYHRHVGXAD-UHFFFAOYSA-N 1 2 341.904 3.561 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@@H+](CCS(=O)(=O)C(C)C)CC1 ZINC000528742537 1032718392 /nfs/dbraw/zinc/71/83/92/1032718392.db2.gz WMHAJYHRHVGXAD-UHFFFAOYSA-N 1 2 341.904 3.561 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)NCCc3c[nH+]cn3C)o2)c1 ZINC000121372028 1017727779 /nfs/dbraw/zinc/72/77/79/1017727779.db2.gz URUBUPULEORYNC-UHFFFAOYSA-N 1 2 337.423 3.776 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000574098559 1032721522 /nfs/dbraw/zinc/72/15/22/1032721522.db2.gz QLQLUGSWUBTRBC-AUUYWEPGSA-N 1 2 336.439 3.823 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000574098559 1032721525 /nfs/dbraw/zinc/72/15/25/1032721525.db2.gz QLQLUGSWUBTRBC-AUUYWEPGSA-N 1 2 336.439 3.823 20 0 EHADLO CN(C)C(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000340442414 1017826666 /nfs/dbraw/zinc/82/66/66/1017826666.db2.gz ABRCSNRJFGQCSE-HXUWFJFHSA-N 1 2 334.419 3.866 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Br)ccc2C)s1 ZINC000314196600 1017915258 /nfs/dbraw/zinc/91/52/58/1017915258.db2.gz LPCGJSHHEWKTAV-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CCCC[NH+](CCCC)Cn1nc(-c2ccccc2F)ccc1=O ZINC000066792522 1017926842 /nfs/dbraw/zinc/92/68/42/1017926842.db2.gz XMXYZOUOOWRORS-UHFFFAOYSA-N 1 2 331.435 3.909 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000247242574 1017942245 /nfs/dbraw/zinc/94/22/45/1017942245.db2.gz XZDDEEADAFNIIP-WMLDXEAASA-N 1 2 342.512 3.912 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000247242574 1017942255 /nfs/dbraw/zinc/94/22/55/1017942255.db2.gz XZDDEEADAFNIIP-WMLDXEAASA-N 1 2 342.512 3.912 20 0 EHADLO COCCOc1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)o1 ZINC000892951239 1017944637 /nfs/dbraw/zinc/94/46/37/1017944637.db2.gz LFNYQMRJEZXSMV-UHFFFAOYSA-N 1 2 336.457 3.629 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000347349335 1032731421 /nfs/dbraw/zinc/73/14/21/1032731421.db2.gz ZCNSSSLWNQVMLA-UHFFFAOYSA-N 1 2 335.245 3.608 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000347349335 1032731438 /nfs/dbraw/zinc/73/14/38/1032731438.db2.gz ZCNSSSLWNQVMLA-UHFFFAOYSA-N 1 2 335.245 3.608 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1nnc2ccccn21 ZINC000072953490 1017992802 /nfs/dbraw/zinc/99/28/02/1017992802.db2.gz OKYVCGPCRJHIJZ-JTQLQIEISA-N 1 2 338.383 3.629 20 0 EHADLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)sn1 ZINC000659849501 1018039110 /nfs/dbraw/zinc/03/91/10/1018039110.db2.gz PHVZCAVGRFJUFP-UHFFFAOYSA-N 1 2 330.453 3.555 20 0 EHADLO Cc1cc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000121950967 1018042980 /nfs/dbraw/zinc/04/29/80/1018042980.db2.gz QTIBRAPAUFSOQL-UHFFFAOYSA-N 1 2 345.393 3.589 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000892985150 1018060689 /nfs/dbraw/zinc/06/06/89/1018060689.db2.gz IRNVZBDBXZGFJO-UHFFFAOYSA-N 1 2 331.437 3.613 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000644659188 1018162815 /nfs/dbraw/zinc/16/28/15/1018162815.db2.gz UYMZGSLAODMHQT-GOSISDBHSA-N 1 2 349.478 3.879 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000122081885 1018178516 /nfs/dbraw/zinc/17/85/16/1018178516.db2.gz BUKBKXFADNQUAL-IAGOWNOFSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccccc2)on1 ZINC000047514530 1018206660 /nfs/dbraw/zinc/20/66/60/1018206660.db2.gz JTNLPIOYSFSFSR-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001143499879 1018326015 /nfs/dbraw/zinc/32/60/15/1018326015.db2.gz SNDFOCKQQOJAOZ-CQSZACIVSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001143499879 1018326027 /nfs/dbraw/zinc/32/60/27/1018326027.db2.gz SNDFOCKQQOJAOZ-CQSZACIVSA-N 1 2 333.378 3.799 20 0 EHADLO COc1nccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1F ZINC000893083959 1018401246 /nfs/dbraw/zinc/40/12/46/1018401246.db2.gz RBKFOWBZCVDKQV-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(F)cc1 ZINC000683765352 1018409686 /nfs/dbraw/zinc/40/96/86/1018409686.db2.gz JDXYCARNIVOSMY-HXUWFJFHSA-N 1 2 346.409 3.987 20 0 EHADLO Fc1cc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C(F)(F)F)c1 ZINC000092073014 1032763934 /nfs/dbraw/zinc/76/39/34/1032763934.db2.gz ABRBAFOBZMRIOP-GFCCVEGCSA-N 1 2 327.325 3.947 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1nccs1)c1ccccc1 ZINC000606580174 1032765455 /nfs/dbraw/zinc/76/54/55/1032765455.db2.gz CLHPSONOXHKASI-INIZCTEOSA-N 1 2 349.419 3.702 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1ccc(OC(C)C)cc1)[NH+]1CCOCC1 ZINC000460740222 1018466089 /nfs/dbraw/zinc/46/60/89/1018466089.db2.gz NYOGKAJDSGNNIN-LJQANCHMSA-N 1 2 348.487 3.549 20 0 EHADLO O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000606580680 1032767042 /nfs/dbraw/zinc/76/70/42/1032767042.db2.gz ACLDEFMTDSUESU-UHFFFAOYSA-N 1 2 348.328 3.717 20 0 EHADLO Cc1cc(CNc2ccn(CCc3ccncc3)n2)c2c([nH+]1)CCCC2 ZINC000893104925 1018508344 /nfs/dbraw/zinc/50/83/44/1018508344.db2.gz MKPVBRQGAWXXLM-UHFFFAOYSA-N 1 2 347.466 3.715 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000606583406 1032768889 /nfs/dbraw/zinc/76/88/89/1032768889.db2.gz ABGVGJWKMAPWKO-LJQANCHMSA-N 1 2 343.390 3.640 20 0 EHADLO CC(C)c1nc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131898 1018519434 /nfs/dbraw/zinc/51/94/34/1018519434.db2.gz CTZMEYKBCZDKFZ-SJLPKXTDSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131898 1018519448 /nfs/dbraw/zinc/51/94/48/1018519448.db2.gz CTZMEYKBCZDKFZ-SJLPKXTDSA-N 1 2 329.444 3.793 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(CCc1cccc(F)c1)C1CC1 ZINC000606583785 1032770779 /nfs/dbraw/zinc/77/07/79/1032770779.db2.gz NWKDMFPGJCCOPP-UHFFFAOYSA-N 1 2 338.386 3.712 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000582131849 1018585103 /nfs/dbraw/zinc/58/51/03/1018585103.db2.gz UKSWQJDJUWKQOC-OAHLLOKOSA-N 1 2 325.456 3.952 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000582131849 1018585113 /nfs/dbraw/zinc/58/51/13/1018585113.db2.gz UKSWQJDJUWKQOC-OAHLLOKOSA-N 1 2 325.456 3.952 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cc2nnnn2C2CC2)cc1 ZINC000052042664 1018716343 /nfs/dbraw/zinc/71/63/43/1018716343.db2.gz VESUKEXTNPJPLY-QGZVFWFLSA-N 1 2 325.460 3.643 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cc2nnnn2C2CC2)cc1 ZINC000052042664 1018716355 /nfs/dbraw/zinc/71/63/55/1018716355.db2.gz VESUKEXTNPJPLY-QGZVFWFLSA-N 1 2 325.460 3.643 20 0 EHADLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Cl)s1 ZINC000008158667 1018788119 /nfs/dbraw/zinc/78/81/19/1018788119.db2.gz ASXZQGOHOZNZSQ-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Cl)s1 ZINC000008158667 1018788136 /nfs/dbraw/zinc/78/81/36/1018788136.db2.gz ASXZQGOHOZNZSQ-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000500955843 1018845072 /nfs/dbraw/zinc/84/50/72/1018845072.db2.gz RNTFBFZGPCYABK-UHFFFAOYSA-N 1 2 338.542 3.572 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000172586643 1032796008 /nfs/dbraw/zinc/79/60/08/1032796008.db2.gz WHDIXWHXWGWSMG-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000172586643 1032796024 /nfs/dbraw/zinc/79/60/24/1032796024.db2.gz WHDIXWHXWGWSMG-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513111453 1019023686 /nfs/dbraw/zinc/02/36/86/1019023686.db2.gz FOILWTQXVQJIPA-UHFFFAOYSA-N 1 2 327.424 3.649 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513111453 1019023699 /nfs/dbraw/zinc/02/36/99/1019023699.db2.gz FOILWTQXVQJIPA-UHFFFAOYSA-N 1 2 327.424 3.649 20 0 EHADLO CSc1nc2ncnc(Oc3cccc(-n4cc[nH+]c4)c3)c2s1 ZINC000092656014 1032803413 /nfs/dbraw/zinc/80/34/13/1032803413.db2.gz VRQYLNFLGSMEMD-UHFFFAOYSA-N 1 2 341.421 3.786 20 0 EHADLO CC(C)=CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000509906307 1019076499 /nfs/dbraw/zinc/07/64/99/1019076499.db2.gz XCOGNCDYJCJOQF-UHFFFAOYSA-N 1 2 342.512 3.981 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000606707160 1032806478 /nfs/dbraw/zinc/80/64/78/1032806478.db2.gz KDXYWRKOPRBOLN-WMLDXEAASA-N 1 2 348.397 3.659 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]Cc1nnc(-c2ccncc2)[nH]1 ZINC000584456929 1032808600 /nfs/dbraw/zinc/80/86/00/1032808600.db2.gz FPMFIPBOCAMOTH-KRWDZBQOSA-N 1 2 344.422 3.515 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000449560951 1032809595 /nfs/dbraw/zinc/80/95/95/1032809595.db2.gz AENLVHPOOSIHCS-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606692351 1032814433 /nfs/dbraw/zinc/81/44/33/1032814433.db2.gz QHPDQWJXQJXITI-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO CC[C@@H]1[C@H](C)CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000476079845 1032814950 /nfs/dbraw/zinc/81/49/50/1032814950.db2.gz MDZAYPPQXUTTHA-GDBMZVCRSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000255487379 1019230777 /nfs/dbraw/zinc/23/07/77/1019230777.db2.gz KLMOOPMQFYNDIF-YVMONPNESA-N 1 2 341.480 3.919 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000052751087 1019237651 /nfs/dbraw/zinc/23/76/51/1019237651.db2.gz QNLMETBGZQMBDF-MRXNPFEDSA-N 1 2 326.415 3.653 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)NCCCCNc1cccc[nH+]1 ZINC000729255030 1019251505 /nfs/dbraw/zinc/25/15/05/1019251505.db2.gz YQTAZUWJRNHDSQ-DHZHZOJOSA-N 1 2 329.831 3.757 20 0 EHADLO CCCN(C)c1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729337360 1019299101 /nfs/dbraw/zinc/29/91/01/1019299101.db2.gz DWJJHWXHYVYPRH-GOSISDBHSA-N 1 2 342.487 3.574 20 0 EHADLO Cc1cc(Br)oc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052927337 1019318696 /nfs/dbraw/zinc/31/86/96/1019318696.db2.gz LZZWFKMZJRNABA-UHFFFAOYSA-N 1 2 346.184 3.789 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000614449510 1019322462 /nfs/dbraw/zinc/32/24/62/1019322462.db2.gz NQGJZHVAFJVOIS-KZNAEPCWSA-N 1 2 337.467 3.744 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000052439977 1019329736 /nfs/dbraw/zinc/32/97/36/1019329736.db2.gz UNYZHLAJNHMMRU-AWEZNQCLSA-N 1 2 326.234 3.749 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000052439977 1019329748 /nfs/dbraw/zinc/32/97/48/1019329748.db2.gz UNYZHLAJNHMMRU-AWEZNQCLSA-N 1 2 326.234 3.749 20 0 EHADLO CCCCSCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729410271 1019349159 /nfs/dbraw/zinc/34/91/59/1019349159.db2.gz VJSAJTGGJNYNBB-OAHLLOKOSA-N 1 2 336.501 3.552 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)c2nccn21 ZINC000449569431 1032823251 /nfs/dbraw/zinc/82/32/51/1032823251.db2.gz HCKGVOODKAMWFR-PBHICJAKSA-N 1 2 338.480 3.920 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)N4CCCC4)cc3C)c[nH+]c12 ZINC000340696172 1019415829 /nfs/dbraw/zinc/41/58/29/1019415829.db2.gz LZMNPVLQXPCQNQ-UHFFFAOYSA-N 1 2 348.450 3.799 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)CC(F)(F)F ZINC000396988651 1032829761 /nfs/dbraw/zinc/82/97/61/1032829761.db2.gz FBSFFCLMDKUBHR-LLVKDONJSA-N 1 2 335.333 3.816 20 0 EHADLO CCCNC(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1Cl ZINC000340700678 1019460487 /nfs/dbraw/zinc/46/04/87/1019460487.db2.gz PXUVDFWAFOUTLS-UHFFFAOYSA-N 1 2 342.830 3.740 20 0 EHADLO O=C(CCCc1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340705251 1019503594 /nfs/dbraw/zinc/50/35/94/1019503594.db2.gz HSUVWMOEGODCFT-UHFFFAOYSA-N 1 2 333.435 3.571 20 0 EHADLO C[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000683969229 1019547596 /nfs/dbraw/zinc/54/75/96/1019547596.db2.gz GMHYJXNHTGIJRK-HNNXBMFYSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ccc([C@H](CCn2cncn2)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000275903091 1019555629 /nfs/dbraw/zinc/55/56/29/1019555629.db2.gz SPPVGZOPAGIWTM-FQEVSTJZSA-N 1 2 335.455 3.896 20 0 EHADLO COc1cc([C@@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)ccc1OC(C)C ZINC000433773241 1019585414 /nfs/dbraw/zinc/58/54/14/1019585414.db2.gz FPINYUDARZNYMR-GFCCVEGCSA-N 1 2 340.427 3.657 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cc(Oc3ccc(F)cc3)ccn2)[nH+]1 ZINC000433803111 1019644417 /nfs/dbraw/zinc/64/44/17/1019644417.db2.gz LFYIGIYOYJWVRH-UHFFFAOYSA-N 1 2 349.369 3.627 20 0 EHADLO CN(C)c1ncc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)cn1 ZINC000513479808 1019730370 /nfs/dbraw/zinc/73/03/70/1019730370.db2.gz RNFALERCFRDEEM-UHFFFAOYSA-N 1 2 346.425 3.766 20 0 EHADLO CN(C)c1ncc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)cn1 ZINC000513479808 1019730385 /nfs/dbraw/zinc/73/03/85/1019730385.db2.gz RNFALERCFRDEEM-UHFFFAOYSA-N 1 2 346.425 3.766 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)C[C@H](O)C(F)(F)F)s2)cc1C ZINC000656261220 1019751951 /nfs/dbraw/zinc/75/19/51/1019751951.db2.gz GGYPPUIMHKPDMC-AWEZNQCLSA-N 1 2 344.402 3.782 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)C[C@H](O)C(F)(F)F)s2)cc1C ZINC000656261220 1019751964 /nfs/dbraw/zinc/75/19/64/1019751964.db2.gz GGYPPUIMHKPDMC-AWEZNQCLSA-N 1 2 344.402 3.782 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(-c2ccccc2)n1 ZINC000430018062 1019780581 /nfs/dbraw/zinc/78/05/81/1019780581.db2.gz BHOAGNWLBGMBCV-UHFFFAOYSA-N 1 2 349.331 3.933 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1c1ccccc1 ZINC000433982972 1019842160 /nfs/dbraw/zinc/84/21/60/1019842160.db2.gz ZZPVQKSZFZZQRB-GOSISDBHSA-N 1 2 348.450 3.670 20 0 EHADLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000684022650 1019842321 /nfs/dbraw/zinc/84/23/21/1019842321.db2.gz HMXRBVJYYFSGFQ-UHFFFAOYSA-N 1 2 327.472 3.637 20 0 EHADLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000684022650 1019842339 /nfs/dbraw/zinc/84/23/39/1019842339.db2.gz HMXRBVJYYFSGFQ-UHFFFAOYSA-N 1 2 327.472 3.637 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C2 ZINC000656275624 1019885904 /nfs/dbraw/zinc/88/59/04/1019885904.db2.gz QOEYDVDZGNPEKR-UHFFFAOYSA-N 1 2 335.407 3.610 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C2 ZINC000656275624 1019885921 /nfs/dbraw/zinc/88/59/21/1019885921.db2.gz QOEYDVDZGNPEKR-UHFFFAOYSA-N 1 2 335.407 3.610 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2c(O)cccc21 ZINC000345131016 1019985159 /nfs/dbraw/zinc/98/51/59/1019985159.db2.gz KYMJFZDUODWWMV-OAHLLOKOSA-N 1 2 347.418 3.791 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043808 1020039107 /nfs/dbraw/zinc/03/91/07/1020039107.db2.gz GEYOVXCDHYDOIG-CXAGYDPISA-N 1 2 344.480 3.745 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043808 1020039118 /nfs/dbraw/zinc/03/91/18/1020039118.db2.gz GEYOVXCDHYDOIG-CXAGYDPISA-N 1 2 344.480 3.745 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000280087837 1020049434 /nfs/dbraw/zinc/04/94/34/1020049434.db2.gz RVJMWCQBMFPLSH-AEFFLSMTSA-N 1 2 345.464 3.501 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000280087837 1020049445 /nfs/dbraw/zinc/04/94/45/1020049445.db2.gz RVJMWCQBMFPLSH-AEFFLSMTSA-N 1 2 345.464 3.501 20 0 EHADLO Cc1oc(C)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000684073078 1020056749 /nfs/dbraw/zinc/05/67/49/1020056749.db2.gz YMZYEGOCWLUVGY-UHFFFAOYSA-N 1 2 341.455 3.757 20 0 EHADLO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(F)cc(Cl)c1O ZINC000641662369 1032876296 /nfs/dbraw/zinc/87/62/96/1032876296.db2.gz BPFLDAYULMFQMA-UHFFFAOYSA-N 1 2 342.842 3.523 20 0 EHADLO CC[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000345293888 1020133496 /nfs/dbraw/zinc/13/34/96/1020133496.db2.gz BTOWQRQOTXJRGC-HXUWFJFHSA-N 1 2 333.435 3.741 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000255831023 1020136348 /nfs/dbraw/zinc/13/63/48/1020136348.db2.gz HYNKDFQFHCFUJC-QNRLHKFMSA-N 1 2 335.407 3.752 20 0 EHADLO Cc1ccc2nc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000345299421 1020137378 /nfs/dbraw/zinc/13/73/78/1020137378.db2.gz IYOITDGSIJUGBM-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111040 1032878693 /nfs/dbraw/zinc/87/86/93/1032878693.db2.gz COGVFVAHXUXXJN-YPMHNXCESA-N 1 2 346.254 3.788 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111040 1032878708 /nfs/dbraw/zinc/87/87/08/1032878708.db2.gz COGVFVAHXUXXJN-YPMHNXCESA-N 1 2 346.254 3.788 20 0 EHADLO c1coc([C@H](CN[C@@H]2CCCc3scnc32)[NH+]2CCCCC2)c1 ZINC000623850685 1020154993 /nfs/dbraw/zinc/15/49/93/1020154993.db2.gz ODDNXUPNJGEFOX-CABCVRRESA-N 1 2 331.485 3.930 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000580876375 1020166166 /nfs/dbraw/zinc/16/61/66/1020166166.db2.gz HZHNWCGKNIFKCA-MJGOQNOKSA-N 1 2 339.439 3.906 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000345391278 1020201194 /nfs/dbraw/zinc/20/11/94/1020201194.db2.gz LGVADYQSAQTYOS-OAHLLOKOSA-N 1 2 335.407 3.680 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000345444504 1020257804 /nfs/dbraw/zinc/25/78/04/1020257804.db2.gz SCBJJWRGLATFGW-HNNXBMFYSA-N 1 2 330.815 3.645 20 0 EHADLO O=C(C[C@H]1CCCc2ccccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345453362 1020267468 /nfs/dbraw/zinc/26/74/68/1020267468.db2.gz SLAUYVKLXODZAI-MJGOQNOKSA-N 1 2 336.435 3.572 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000345468018 1020281628 /nfs/dbraw/zinc/28/16/28/1020281628.db2.gz YGKFMBZSIYLAPQ-QGZVFWFLSA-N 1 2 344.842 3.981 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)sc2C1 ZINC001143385809 1020281743 /nfs/dbraw/zinc/28/17/43/1020281743.db2.gz UZMOYSUZOOEGID-GXTWGEPZSA-N 1 2 335.517 3.859 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)sc2C1 ZINC001143385809 1020281751 /nfs/dbraw/zinc/28/17/51/1020281751.db2.gz UZMOYSUZOOEGID-GXTWGEPZSA-N 1 2 335.517 3.859 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897369 1032889699 /nfs/dbraw/zinc/88/96/99/1032889699.db2.gz BGKUTEGJLYKSFT-RBSFLKMASA-N 1 2 334.891 3.591 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897369 1032889714 /nfs/dbraw/zinc/88/97/14/1032889714.db2.gz BGKUTEGJLYKSFT-RBSFLKMASA-N 1 2 334.891 3.591 20 0 EHADLO Cc1ncccc1/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480596 1020300644 /nfs/dbraw/zinc/30/06/44/1020300644.db2.gz QEGSMQKAZISAII-DAXSKMNVSA-N 1 2 338.798 3.881 20 0 EHADLO O=C(c1cc2c(s1)CCCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345463168 1020301153 /nfs/dbraw/zinc/30/11/53/1020301153.db2.gz NFIHYAGQOCPBKE-MRXNPFEDSA-N 1 2 342.464 3.706 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119331671 1032892717 /nfs/dbraw/zinc/89/27/17/1032892717.db2.gz GCZGYJVWNPJUGD-QZTJIDSGSA-N 1 2 339.483 3.703 20 0 EHADLO Cc1cccn2cc(C[N@@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000610477050 1020420520 /nfs/dbraw/zinc/42/05/20/1020420520.db2.gz GNPZUBWWHXGDMY-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccn2cc(C[N@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000610477050 1020420522 /nfs/dbraw/zinc/42/05/22/1020420522.db2.gz GNPZUBWWHXGDMY-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000606916471 1032901895 /nfs/dbraw/zinc/90/18/95/1032901895.db2.gz UEFRJHLHXCAOLF-UONOGXRCSA-N 1 2 338.521 3.789 20 0 EHADLO CC(C)[C@H](C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000606916471 1032901912 /nfs/dbraw/zinc/90/19/12/1032901912.db2.gz UEFRJHLHXCAOLF-UONOGXRCSA-N 1 2 338.521 3.789 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000187387546 1020461127 /nfs/dbraw/zinc/46/11/27/1020461127.db2.gz KQTJVVHIVXWCDF-QYZOEREBSA-N 1 2 347.499 3.592 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000187387513 1020461203 /nfs/dbraw/zinc/46/12/03/1020461203.db2.gz KQTJVVHIVXWCDF-FHWLQOOXSA-N 1 2 347.499 3.592 20 0 EHADLO COCc1nc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cs1 ZINC000345707895 1020462217 /nfs/dbraw/zinc/46/22/17/1020462217.db2.gz OXKUQXPBIWXYEC-AWEZNQCLSA-N 1 2 338.860 3.946 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000606916469 1032903703 /nfs/dbraw/zinc/90/37/03/1032903703.db2.gz UEFRJHLHXCAOLF-KBPBESRZSA-N 1 2 338.521 3.789 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000606916469 1032903717 /nfs/dbraw/zinc/90/37/17/1032903717.db2.gz UEFRJHLHXCAOLF-KBPBESRZSA-N 1 2 338.521 3.789 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1C ZINC000050770767 1020480503 /nfs/dbraw/zinc/48/05/03/1020480503.db2.gz VMGHOMOFGKPSNB-UHFFFAOYSA-N 1 2 343.814 3.772 20 0 EHADLO Cc1nc(N[C@@H](CCO)c2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC000340887431 1020536048 /nfs/dbraw/zinc/53/60/48/1020536048.db2.gz DRASEPWZWKCPJP-INIZCTEOSA-N 1 2 331.847 3.853 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385632 1020541632 /nfs/dbraw/zinc/54/16/32/1020541632.db2.gz NFFOHFLWBOIHLG-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385632 1020541625 /nfs/dbraw/zinc/54/16/25/1020541625.db2.gz NFFOHFLWBOIHLG-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000276121856 1020666740 /nfs/dbraw/zinc/66/67/40/1020666740.db2.gz BNNWKMBNIHLGGU-GFCCVEGCSA-N 1 2 336.304 3.566 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000276121856 1020666745 /nfs/dbraw/zinc/66/67/45/1020666745.db2.gz BNNWKMBNIHLGGU-GFCCVEGCSA-N 1 2 336.304 3.566 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000548158164 1020674944 /nfs/dbraw/zinc/67/49/44/1020674944.db2.gz WZQBFZGWQOYBMP-CQSZACIVSA-N 1 2 329.444 3.507 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000548158164 1020674949 /nfs/dbraw/zinc/67/49/49/1020674949.db2.gz WZQBFZGWQOYBMP-CQSZACIVSA-N 1 2 329.444 3.507 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419486863 1020687774 /nfs/dbraw/zinc/68/77/74/1020687774.db2.gz FXYXQJYDEIWVHP-CVEARBPZSA-N 1 2 328.460 3.691 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000501053427 1020687876 /nfs/dbraw/zinc/68/78/76/1020687876.db2.gz KPBMIBYPDLOBKI-INIZCTEOSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000501053427 1020687881 /nfs/dbraw/zinc/68/78/81/1020687881.db2.gz KPBMIBYPDLOBKI-INIZCTEOSA-N 1 2 331.378 3.751 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340969063 1020703286 /nfs/dbraw/zinc/70/32/86/1020703286.db2.gz ZUZYWVWAIBQNOV-HOTGVXAUSA-N 1 2 332.492 3.696 20 0 EHADLO CC[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC1(C)C ZINC000419566118 1020718151 /nfs/dbraw/zinc/71/81/51/1020718151.db2.gz OTZMSKHOMXMDRZ-LSDHHAIUSA-N 1 2 333.476 3.673 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340982160 1020751724 /nfs/dbraw/zinc/75/17/24/1020751724.db2.gz ZDTFNBHBKFOSDC-VQTJNVASSA-N 1 2 349.478 3.882 20 0 EHADLO CCOC(=O)c1cnn(C[NH+]2CCC(CC(C)C)CC2)c1C(F)F ZINC000760399373 1032931637 /nfs/dbraw/zinc/93/16/37/1032931637.db2.gz VVGXEOSLMSESKD-UHFFFAOYSA-N 1 2 343.418 3.713 20 0 EHADLO CC1(c2ccc(Cl)cc2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000684230361 1020828804 /nfs/dbraw/zinc/82/88/04/1020828804.db2.gz HWFWUMNHJWTHBE-UHFFFAOYSA-N 1 2 345.874 3.897 20 0 EHADLO CC(C)[C@@H]1C[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000656528738 1020844215 /nfs/dbraw/zinc/84/42/15/1020844215.db2.gz QOKPPICWVVIIOB-MAUKXSAKSA-N 1 2 336.439 3.768 20 0 EHADLO Fc1cc(Br)cc([C@@H]([NH2+]Cc2ccon2)C2CC2)c1 ZINC000548167958 1020853483 /nfs/dbraw/zinc/85/34/83/1020853483.db2.gz VLFMKSBNXRJBHM-AWEZNQCLSA-N 1 2 325.181 3.817 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)n1C ZINC000341117401 1020980370 /nfs/dbraw/zinc/98/03/70/1020980370.db2.gz CNTJSSHLKARFOE-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccc(Br)o2)c1F ZINC000192940273 1020989098 /nfs/dbraw/zinc/98/90/98/1020989098.db2.gz SXQQMCUPIFTUHO-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccc(Br)o2)c1F ZINC000192940273 1020989103 /nfs/dbraw/zinc/98/91/03/1020989103.db2.gz SXQQMCUPIFTUHO-UHFFFAOYSA-N 1 2 328.181 3.822 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1C ZINC000341131585 1020991593 /nfs/dbraw/zinc/99/15/93/1020991593.db2.gz VEAFNFDNDNFQBC-HNNXBMFYSA-N 1 2 330.815 3.645 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1=CCCCC1 ZINC000548186198 1021056226 /nfs/dbraw/zinc/05/62/26/1021056226.db2.gz QXBDNLDXJXZFAF-UHFFFAOYSA-N 1 2 330.476 3.825 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1=CCCCC1 ZINC000548186198 1021056229 /nfs/dbraw/zinc/05/62/29/1021056229.db2.gz QXBDNLDXJXZFAF-UHFFFAOYSA-N 1 2 330.476 3.825 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581545478 1021073490 /nfs/dbraw/zinc/07/34/90/1021073490.db2.gz NYPUEHYEJIFRMH-TZIWHRDSSA-N 1 2 336.410 3.848 20 0 EHADLO Cc1cc2c(s1)N(c1ncncc1F)c1ccccc1NC2=[NH2+] ZINC001167469736 1021079810 /nfs/dbraw/zinc/07/98/10/1021079810.db2.gz WQIYGNOOAGIPIU-UHFFFAOYSA-N 1 2 325.372 3.806 20 0 EHADLO CCCc1csc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000449648894 1032956630 /nfs/dbraw/zinc/95/66/30/1032956630.db2.gz UVKUTBQPOWXPIR-UONOGXRCSA-N 1 2 343.496 3.552 20 0 EHADLO C[C@H](CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000581611206 1021147516 /nfs/dbraw/zinc/14/75/16/1021147516.db2.gz RFFSVHPMMQJUCD-KUHUBIRLSA-N 1 2 347.409 3.923 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341239357 1021151076 /nfs/dbraw/zinc/15/10/76/1021151076.db2.gz LDIVNGLCVWVVGZ-UHFFFAOYSA-N 1 2 337.467 3.704 20 0 EHADLO CC(C)COc1ncc(C(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC000341240214 1021158231 /nfs/dbraw/zinc/15/82/31/1021158231.db2.gz MQRDUQQKTXSXGM-UHFFFAOYSA-N 1 2 344.802 3.670 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000656681680 1021163277 /nfs/dbraw/zinc/16/32/77/1021163277.db2.gz JSYGKFJKBRXWCO-BFHYXJOUSA-N 1 2 331.485 3.622 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244702 1021169908 /nfs/dbraw/zinc/16/99/08/1021169908.db2.gz WTPXBQORGVANFG-MRXNPFEDSA-N 1 2 337.533 3.824 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1OC ZINC000276406938 1021206626 /nfs/dbraw/zinc/20/66/26/1021206626.db2.gz LMTSVMRDJGBZKX-NSHDSACASA-N 1 2 338.354 3.551 20 0 EHADLO CC(C)c1ncc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)s1 ZINC000341268864 1021248384 /nfs/dbraw/zinc/24/83/84/1021248384.db2.gz MLCZNOLMTREHTJ-UHFFFAOYSA-N 1 2 326.469 3.801 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000664869469 1021255930 /nfs/dbraw/zinc/25/59/30/1021255930.db2.gz VKLXNCWXTFNHGI-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000664869469 1021255943 /nfs/dbraw/zinc/25/59/43/1021255943.db2.gz VKLXNCWXTFNHGI-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO Cn1c2cc(Cl)c(Cl)cc2[nH+]c1NCc1cnn2c1CCC2 ZINC000656777150 1021328079 /nfs/dbraw/zinc/32/80/79/1021328079.db2.gz ZLBCNSZSHWSCDV-UHFFFAOYSA-N 1 2 336.226 3.635 20 0 EHADLO C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000607038805 1032971467 /nfs/dbraw/zinc/97/14/67/1032971467.db2.gz PKIGMZUZSRBOBV-NWDGAFQWSA-N 1 2 340.254 3.746 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296400178 1021345194 /nfs/dbraw/zinc/34/51/94/1021345194.db2.gz TVXYWACDCONKSA-GOSISDBHSA-N 1 2 346.858 3.506 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296400178 1021345213 /nfs/dbraw/zinc/34/52/13/1021345213.db2.gz TVXYWACDCONKSA-GOSISDBHSA-N 1 2 346.858 3.506 20 0 EHADLO c1ccc(CO[C@@H]2CCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342667654 1021350087 /nfs/dbraw/zinc/35/00/87/1021350087.db2.gz BMJPBYCFQMUMFY-QZTJIDSGSA-N 1 2 338.455 3.627 20 0 EHADLO c1ccc(CO[C@@H]2CCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342667654 1021350102 /nfs/dbraw/zinc/35/01/02/1021350102.db2.gz BMJPBYCFQMUMFY-QZTJIDSGSA-N 1 2 338.455 3.627 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874630 1021394207 /nfs/dbraw/zinc/39/42/07/1021394207.db2.gz NGBBTIVAWQMLJI-CYBMUJFWSA-N 1 2 330.476 3.851 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874630 1021394222 /nfs/dbraw/zinc/39/42/22/1021394222.db2.gz NGBBTIVAWQMLJI-CYBMUJFWSA-N 1 2 330.476 3.851 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1c(F)cccc1F ZINC000341309570 1021397618 /nfs/dbraw/zinc/39/76/18/1021397618.db2.gz YBESALFNYPXAEK-UGSOOPFHSA-N 1 2 344.405 3.809 20 0 EHADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C(=O)OC(C)(C)C ZINC000519613481 1021402013 /nfs/dbraw/zinc/40/20/13/1021402013.db2.gz XWDGFLQUBDCZBD-AWEZNQCLSA-N 1 2 343.427 3.737 20 0 EHADLO COc1cccc2cc(C[NH2+][C@@H](C)c3cn(-c4ccccc4)nn3)oc21 ZINC000760469837 1032976772 /nfs/dbraw/zinc/97/67/72/1032976772.db2.gz GTFMKQQGXIVZNQ-AWEZNQCLSA-N 1 2 348.406 3.873 20 0 EHADLO CCCc1csc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)n1 ZINC000426372979 1021408115 /nfs/dbraw/zinc/40/81/15/1021408115.db2.gz SBVCKNZVRLHRFV-UHFFFAOYSA-N 1 2 331.485 3.842 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)cc1 ZINC000507633190 1021411210 /nfs/dbraw/zinc/41/12/10/1021411210.db2.gz DBHRVQPEHSIVAQ-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO Oc1ccc(F)c(C[NH+]2CCC(COc3ccccc3)CC2)c1F ZINC000507666701 1021424380 /nfs/dbraw/zinc/42/43/80/1021424380.db2.gz QNICWCSAZDQYSO-UHFFFAOYSA-N 1 2 333.378 3.961 20 0 EHADLO CC1(O)CCN(c2cc(NC3CCC(C4CCC4)CC3)[nH+]cn2)CC1 ZINC000664595798 1021453143 /nfs/dbraw/zinc/45/31/43/1021453143.db2.gz DEOPJPBDAVHVPE-UHFFFAOYSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(NC3CCC(C4CCC4)CC3)nc[nH+]2)CC1 ZINC000664595798 1021453149 /nfs/dbraw/zinc/45/31/49/1021453149.db2.gz DEOPJPBDAVHVPE-UHFFFAOYSA-N 1 2 344.503 3.599 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000425679922 1021465414 /nfs/dbraw/zinc/46/54/14/1021465414.db2.gz HBDKSDXQCNJTQM-UHFFFAOYSA-N 1 2 349.475 3.886 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000607110523 1032984229 /nfs/dbraw/zinc/98/42/29/1032984229.db2.gz HQQXZGMWXTZZFW-RBUKOAKNSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2ccccc21 ZINC000341356774 1021519169 /nfs/dbraw/zinc/51/91/69/1021519169.db2.gz YBYJUWQMDOXYMF-RBUKOAKNSA-N 1 2 331.419 3.735 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)cc2s1 ZINC000426422564 1021547567 /nfs/dbraw/zinc/54/75/67/1021547567.db2.gz XEBNJEBJRLAIHD-NSHDSACASA-N 1 2 343.418 3.673 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)cc2s1 ZINC000426422564 1021547583 /nfs/dbraw/zinc/54/75/83/1021547583.db2.gz XEBNJEBJRLAIHD-NSHDSACASA-N 1 2 343.418 3.673 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528873948 1032991075 /nfs/dbraw/zinc/99/10/75/1032991075.db2.gz DQZDWMOCJMXZTF-SFHVURJKSA-N 1 2 344.842 3.957 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528873948 1032991087 /nfs/dbraw/zinc/99/10/87/1032991087.db2.gz DQZDWMOCJMXZTF-SFHVURJKSA-N 1 2 344.842 3.957 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cn(-c2ccccc2)nn1 ZINC000760477074 1032988975 /nfs/dbraw/zinc/98/89/75/1032988975.db2.gz DPTNCTHIGDPPHE-MRXNPFEDSA-N 1 2 348.450 3.907 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000518783473 1021572765 /nfs/dbraw/zinc/57/27/65/1021572765.db2.gz MQEXICFMXMQPGU-PKOBYXMFSA-N 1 2 343.515 3.589 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](c1cccnc1)C(C)C ZINC000437170903 1021607342 /nfs/dbraw/zinc/60/73/42/1021607342.db2.gz IZJUIIDCBUPWDO-LJQANCHMSA-N 1 2 342.487 3.519 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(F)c1SC ZINC000437173097 1021611099 /nfs/dbraw/zinc/61/10/99/1021611099.db2.gz RORLDGHXUSZYAD-UHFFFAOYSA-N 1 2 349.475 3.859 20 0 EHADLO CC[C@H](F)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000440579647 1021616075 /nfs/dbraw/zinc/61/60/75/1021616075.db2.gz SBUJNNRVBQSTEF-NEPJUHHUSA-N 1 2 340.443 3.869 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1CCF)c1ccccc1Oc1ccccc1 ZINC000440599210 1021636183 /nfs/dbraw/zinc/63/61/83/1021636183.db2.gz UARJLDRBUVLJNK-HNNXBMFYSA-N 1 2 340.402 3.891 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000052832569 1021649235 /nfs/dbraw/zinc/64/92/35/1021649235.db2.gz GQNRYIPHTAJLRW-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000052832569 1021649243 /nfs/dbraw/zinc/64/92/43/1021649243.db2.gz GQNRYIPHTAJLRW-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C2 ZINC000729479690 1021663929 /nfs/dbraw/zinc/66/39/29/1021663929.db2.gz SECQNLVVGSNERF-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C2 ZINC000729479690 1021663934 /nfs/dbraw/zinc/66/39/34/1021663934.db2.gz SECQNLVVGSNERF-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO c1ccc(N2CC[C@H](Nc3ncnc4sc5ccccc5c43)C2)[nH+]c1 ZINC000440643824 1021686709 /nfs/dbraw/zinc/68/67/09/1021686709.db2.gz ANGPUSHQRILKRN-ZDUSSCGKSA-N 1 2 347.447 3.930 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]2CCC[C@@H]21 ZINC000440714708 1021736129 /nfs/dbraw/zinc/73/61/29/1021736129.db2.gz QJTLSQCBBYJZHF-ZBFHGGJFSA-N 1 2 348.516 3.925 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1csc([C@@H](C)OC)n1)C2 ZINC000289443713 1021737506 /nfs/dbraw/zinc/73/75/06/1021737506.db2.gz DYROJDVUBNPXBL-CYBMUJFWSA-N 1 2 344.480 3.907 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1csc([C@@H](C)OC)n1)C2 ZINC000289443713 1021737521 /nfs/dbraw/zinc/73/75/21/1021737521.db2.gz DYROJDVUBNPXBL-CYBMUJFWSA-N 1 2 344.480 3.907 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(F)c1 ZINC000729480776 1021743489 /nfs/dbraw/zinc/74/34/89/1021743489.db2.gz RBTQIHSTTPBYMK-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(F)c1 ZINC000729480776 1021743501 /nfs/dbraw/zinc/74/35/01/1021743501.db2.gz RBTQIHSTTPBYMK-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000593696033 1033006544 /nfs/dbraw/zinc/00/65/44/1033006544.db2.gz BHVCDVYDVXKFGB-ZDUSSCGKSA-N 1 2 335.473 3.690 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000593696033 1033006557 /nfs/dbraw/zinc/00/65/57/1033006557.db2.gz BHVCDVYDVXKFGB-ZDUSSCGKSA-N 1 2 335.473 3.690 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1Cl)CC1CC1 ZINC000341414991 1021791610 /nfs/dbraw/zinc/79/16/10/1021791610.db2.gz LBIDONMCRAHUKE-OAHLLOKOSA-N 1 2 343.858 3.538 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+](C)CCC(=O)c1cccs1 ZINC001143563143 1021857808 /nfs/dbraw/zinc/85/78/08/1021857808.db2.gz NKDKOZHEIOPRTD-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001143563143 1021857819 /nfs/dbraw/zinc/85/78/19/1021857819.db2.gz NKDKOZHEIOPRTD-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465081 1021857995 /nfs/dbraw/zinc/85/79/95/1021857995.db2.gz QCNFTSSCNBETTL-ZBFHGGJFSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465081 1021858001 /nfs/dbraw/zinc/85/80/01/1021858001.db2.gz QCNFTSSCNBETTL-ZBFHGGJFSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439957053 1021858777 /nfs/dbraw/zinc/85/87/77/1021858777.db2.gz IGOHEIQQGAYYDJ-MRVPVSSYSA-N 1 2 331.178 3.539 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(C)c(C)c1 ZINC000516944685 1021861830 /nfs/dbraw/zinc/86/18/30/1021861830.db2.gz QDBLZRDZAKWWGA-UHFFFAOYSA-N 1 2 327.472 3.544 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1SC(F)F ZINC000178162927 1021882940 /nfs/dbraw/zinc/88/29/40/1021882940.db2.gz MTPDZTVRRGCGDA-UHFFFAOYSA-N 1 2 348.378 3.971 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)n2)cc1 ZINC000440964771 1021895957 /nfs/dbraw/zinc/89/59/57/1021895957.db2.gz YDWUUEZXOKULBR-IAGOWNOFSA-N 1 2 341.455 3.831 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)n2)cc1 ZINC000440964771 1021895965 /nfs/dbraw/zinc/89/59/65/1021895965.db2.gz YDWUUEZXOKULBR-IAGOWNOFSA-N 1 2 341.455 3.831 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000519192508 1021912835 /nfs/dbraw/zinc/91/28/35/1021912835.db2.gz MDOJPJCGRCWUAD-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000519192508 1021912842 /nfs/dbraw/zinc/91/28/42/1021912842.db2.gz MDOJPJCGRCWUAD-GOSISDBHSA-N 1 2 342.414 3.918 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000276590189 1021936039 /nfs/dbraw/zinc/93/60/39/1021936039.db2.gz DFKCZEXCMZFFSV-OAHLLOKOSA-N 1 2 338.860 3.946 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000441042957 1021938894 /nfs/dbraw/zinc/93/88/94/1021938894.db2.gz VTYUDLJSSLXWDA-YJBOKZPZSA-N 1 2 340.471 3.675 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1c(F)cccc1F ZINC000437541781 1021941728 /nfs/dbraw/zinc/94/17/28/1021941728.db2.gz XPNPNOANNWQFTA-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1c(F)cccc1F ZINC000437541781 1021941742 /nfs/dbraw/zinc/94/17/42/1021941742.db2.gz XPNPNOANNWQFTA-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049456 1021956327 /nfs/dbraw/zinc/95/63/27/1021956327.db2.gz JBKDIANYPGKNLM-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049456 1021956335 /nfs/dbraw/zinc/95/63/35/1021956335.db2.gz JBKDIANYPGKNLM-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000437575678 1021961566 /nfs/dbraw/zinc/96/15/66/1021961566.db2.gz DMLYXHKKAKIFFC-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO CC[C@@H](c1ccccc1)N(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000520160063 1021974275 /nfs/dbraw/zinc/97/42/75/1021974275.db2.gz VQZIPZILANOFJZ-SFHVURJKSA-N 1 2 328.460 3.846 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000437583888 1021974586 /nfs/dbraw/zinc/97/45/86/1021974586.db2.gz YHIYEDIONZUBEU-UHFFFAOYSA-N 1 2 325.387 3.686 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000437583888 1021974594 /nfs/dbraw/zinc/97/45/94/1021974594.db2.gz YHIYEDIONZUBEU-UHFFFAOYSA-N 1 2 325.387 3.686 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000520154524 1021982490 /nfs/dbraw/zinc/98/24/90/1021982490.db2.gz DAFLGNZRIRIXPH-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1cccnc1)C1CC1 ZINC000341465791 1021983892 /nfs/dbraw/zinc/98/38/92/1021983892.db2.gz SRUQJTVBBGWCFZ-LJQANCHMSA-N 1 2 346.434 3.518 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000310022896 1021990996 /nfs/dbraw/zinc/99/09/96/1021990996.db2.gz XKHOEJNIHVCSMT-INIZCTEOSA-N 1 2 331.460 3.708 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CC2=CCCCC2)c1)[NH+]1CCOCC1 ZINC000519295563 1021995263 /nfs/dbraw/zinc/99/52/63/1021995263.db2.gz FCKWFCXHGWRKFH-INIZCTEOSA-N 1 2 328.456 3.909 20 0 EHADLO CCCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H](CC)c1ccccc1 ZINC000548280672 1022004668 /nfs/dbraw/zinc/00/46/68/1022004668.db2.gz LYZBFVTZECICFW-MSOLQXFVSA-N 1 2 340.471 3.771 20 0 EHADLO CCCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H](CC)c1ccccc1 ZINC000548280674 1022005394 /nfs/dbraw/zinc/00/53/94/1022005394.db2.gz LYZBFVTZECICFW-ROUUACIJSA-N 1 2 340.471 3.771 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnc4ccccc4n3)c2)[nH+]c1C ZINC000142530062 1033022426 /nfs/dbraw/zinc/02/24/26/1033022426.db2.gz DEPWBXPTSAFWLF-UHFFFAOYSA-N 1 2 343.390 3.889 20 0 EHADLO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000248005930 1022033784 /nfs/dbraw/zinc/03/37/84/1022033784.db2.gz GRJUMANGGCWEBO-CQSZACIVSA-N 1 2 337.822 3.659 20 0 EHADLO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000248005930 1022033791 /nfs/dbraw/zinc/03/37/91/1022033791.db2.gz GRJUMANGGCWEBO-CQSZACIVSA-N 1 2 337.822 3.659 20 0 EHADLO C[C@@H](CC(=O)N1CC2(CCCC2)c2cccc(F)c21)n1cc[nH+]c1 ZINC000517153378 1022079470 /nfs/dbraw/zinc/07/94/70/1022079470.db2.gz CPVVKEDQVHLROQ-AWEZNQCLSA-N 1 2 327.403 3.832 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441251423 1022090501 /nfs/dbraw/zinc/09/05/01/1022090501.db2.gz SQSUZFIVECNXNP-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441251423 1022090512 /nfs/dbraw/zinc/09/05/12/1022090512.db2.gz SQSUZFIVECNXNP-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000517171818 1022103805 /nfs/dbraw/zinc/10/38/05/1022103805.db2.gz PKEVYKPBOTZXEB-UHFFFAOYSA-N 1 2 341.480 3.654 20 0 EHADLO CC[C@H](C[NH2+]Cc1ncc(Br)cc1O)CC(F)(F)F ZINC000894906550 1022155547 /nfs/dbraw/zinc/15/55/47/1022155547.db2.gz QRMIUHVZPLGJNX-QMMMGPOBSA-N 1 2 341.171 3.618 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCOc2c(C)cccc2C)n1 ZINC000441354765 1022172503 /nfs/dbraw/zinc/17/25/03/1022172503.db2.gz IQBVTCYQYNJAOW-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2c(C)cccc2C)n1 ZINC000441354765 1022172513 /nfs/dbraw/zinc/17/25/13/1022172513.db2.gz IQBVTCYQYNJAOW-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccs2)CCCCC1 ZINC000506143469 1022176890 /nfs/dbraw/zinc/17/68/90/1022176890.db2.gz LPZOQQFCKMNLLM-UHFFFAOYSA-N 1 2 327.457 3.739 20 0 EHADLO CC(C)n1ccc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000441347025 1022183011 /nfs/dbraw/zinc/18/30/11/1022183011.db2.gz KJOXDWSFQDOMGX-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000187638435 1022201192 /nfs/dbraw/zinc/20/11/92/1022201192.db2.gz XUKNZJWUNZTMHA-OAHLLOKOSA-N 1 2 330.241 3.573 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000187638435 1022201199 /nfs/dbraw/zinc/20/11/99/1022201199.db2.gz XUKNZJWUNZTMHA-OAHLLOKOSA-N 1 2 330.241 3.573 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)no1 ZINC000083446850 1022203064 /nfs/dbraw/zinc/20/30/64/1022203064.db2.gz HWAIOCBJKXKGOR-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)no1 ZINC000083446850 1022203075 /nfs/dbraw/zinc/20/30/75/1022203075.db2.gz HWAIOCBJKXKGOR-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)n1 ZINC000437885487 1022221346 /nfs/dbraw/zinc/22/13/46/1022221346.db2.gz DBRFKZRDXRFSRT-HXUWFJFHSA-N 1 2 339.483 3.725 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)n1 ZINC000437885487 1022221351 /nfs/dbraw/zinc/22/13/51/1022221351.db2.gz DBRFKZRDXRFSRT-HXUWFJFHSA-N 1 2 339.483 3.725 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000425929339 1022236361 /nfs/dbraw/zinc/23/63/61/1022236361.db2.gz ZXCDLCGPRXKZRM-LPHOPBHVSA-N 1 2 348.450 3.730 20 0 EHADLO CC(C)Oc1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000581907166 1022271397 /nfs/dbraw/zinc/27/13/97/1022271397.db2.gz DWURCGDXKBAOAV-LJQANCHMSA-N 1 2 336.439 3.514 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)n1 ZINC000894439846 1022285203 /nfs/dbraw/zinc/28/52/03/1022285203.db2.gz OBNLEAUKDQJZER-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)n1 ZINC000894439846 1022285218 /nfs/dbraw/zinc/28/52/18/1022285218.db2.gz OBNLEAUKDQJZER-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO CCC1(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000426656354 1022331735 /nfs/dbraw/zinc/33/17/35/1022331735.db2.gz XRHFMOYXBLJDTI-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO CCC1(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000426656354 1022331752 /nfs/dbraw/zinc/33/17/52/1022331752.db2.gz XRHFMOYXBLJDTI-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102891 1022388924 /nfs/dbraw/zinc/38/89/24/1022388924.db2.gz XGJJDIDKWJXHDC-CHWSQXEVSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102891 1022388938 /nfs/dbraw/zinc/38/89/38/1022388938.db2.gz XGJJDIDKWJXHDC-CHWSQXEVSA-N 1 2 325.733 3.757 20 0 EHADLO CCCN(CC1CC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458887027 1022423309 /nfs/dbraw/zinc/42/33/09/1022423309.db2.gz QHKDJSMPWWENGB-UHFFFAOYSA-N 1 2 346.862 3.857 20 0 EHADLO CCS(=O)(=O)CCCCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000473674716 1022452960 /nfs/dbraw/zinc/45/29/60/1022452960.db2.gz JFKIWTQWZSAPRV-UHFFFAOYSA-N 1 2 335.469 3.835 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc(F)c1 ZINC000119449454 1033057092 /nfs/dbraw/zinc/05/70/92/1033057092.db2.gz NMMNLEMLKIKFPX-CVEARBPZSA-N 1 2 343.446 3.534 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnc4onc(C)c4c3)CCO2)cc1 ZINC000894550922 1022537726 /nfs/dbraw/zinc/53/77/26/1022537726.db2.gz JASQMENUBKHFQL-LJQANCHMSA-N 1 2 337.423 3.667 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnc4onc(C)c4c3)CCO2)cc1 ZINC000894550922 1022537738 /nfs/dbraw/zinc/53/77/38/1022537738.db2.gz JASQMENUBKHFQL-LJQANCHMSA-N 1 2 337.423 3.667 20 0 EHADLO Cc1ccnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000510504347 1022550449 /nfs/dbraw/zinc/55/04/49/1022550449.db2.gz YHUVVGTYHJJKTB-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cc1n[nH]c(C[N@@H+](C)Cc2ccc(Br)c(F)c2)c1C ZINC000894564044 1022555348 /nfs/dbraw/zinc/55/53/48/1022555348.db2.gz ZGJUUBADSOVCQA-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO Cc1n[nH]c(C[N@H+](C)Cc2ccc(Br)c(F)c2)c1C ZINC000894564044 1022555352 /nfs/dbraw/zinc/55/53/52/1022555352.db2.gz ZGJUUBADSOVCQA-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Br)ccc2Cl)CC[C@H]1O ZINC000438332846 1022556731 /nfs/dbraw/zinc/55/67/31/1022556731.db2.gz FULJFYSSSOFCPH-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2Cl)CC[C@H]1O ZINC000438332846 1022556739 /nfs/dbraw/zinc/55/67/39/1022556739.db2.gz FULJFYSSSOFCPH-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC(=O)Nc1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1C ZINC000438318421 1022558063 /nfs/dbraw/zinc/55/80/63/1022558063.db2.gz GBARESNSGZVRKV-UHFFFAOYSA-N 1 2 334.423 3.810 20 0 EHADLO Fc1ccc(-n2cccn2)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438326072 1022567559 /nfs/dbraw/zinc/56/75/59/1022567559.db2.gz UAORMOISWZVNQJ-UHFFFAOYSA-N 1 2 347.397 3.868 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000330423705 1022584842 /nfs/dbraw/zinc/58/48/42/1022584842.db2.gz GWSRQXZDKHWNIZ-APPZFPTMSA-N 1 2 347.410 3.634 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc2ocnc21)c1cccc(Cl)c1 ZINC000341621657 1022588328 /nfs/dbraw/zinc/58/83/28/1022588328.db2.gz QQJGWFVGDROBNV-INIZCTEOSA-N 1 2 329.787 3.723 20 0 EHADLO COc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)c(Br)c1 ZINC000449701803 1033061527 /nfs/dbraw/zinc/06/15/27/1033061527.db2.gz CJMRNNDWADSROD-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C)[C@@H](C)O1 ZINC000438366443 1022598699 /nfs/dbraw/zinc/59/86/99/1022598699.db2.gz WEUMIMZEJOYQTO-GRYCIOLGSA-N 1 2 335.341 3.765 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C)[C@@H](C)O1 ZINC000438366443 1022598712 /nfs/dbraw/zinc/59/87/12/1022598712.db2.gz WEUMIMZEJOYQTO-GRYCIOLGSA-N 1 2 335.341 3.765 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000053023581 1022610846 /nfs/dbraw/zinc/61/08/46/1022610846.db2.gz NKPRXTHRIBRDDH-UHFFFAOYSA-N 1 2 349.434 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C[C@H](C)N1C ZINC000894640222 1022654992 /nfs/dbraw/zinc/65/49/92/1022654992.db2.gz YVKOVIHUGXEEIC-BETUJISGSA-N 1 2 339.505 3.620 20 0 EHADLO C[C@@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C[C@H](C)N1C ZINC000894640222 1022654999 /nfs/dbraw/zinc/65/49/99/1022654999.db2.gz YVKOVIHUGXEEIC-BETUJISGSA-N 1 2 339.505 3.620 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000517805189 1022696984 /nfs/dbraw/zinc/69/69/84/1022696984.db2.gz GZTOAOYPIMNQJI-GFCCVEGCSA-N 1 2 338.274 3.602 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838532 1022712383 /nfs/dbraw/zinc/71/23/83/1022712383.db2.gz STPGKDSNIPUVQV-CRAIPNDOSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838532 1022712393 /nfs/dbraw/zinc/71/23/93/1022712393.db2.gz STPGKDSNIPUVQV-CRAIPNDOSA-N 1 2 329.488 3.644 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1C ZINC000438494845 1022720878 /nfs/dbraw/zinc/72/08/78/1022720878.db2.gz OTCXBRLXTNNCFR-OAQYLSRUSA-N 1 2 338.451 3.680 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1C ZINC000438494845 1022720891 /nfs/dbraw/zinc/72/08/91/1022720891.db2.gz OTCXBRLXTNNCFR-OAQYLSRUSA-N 1 2 338.451 3.680 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000780496462 1022741422 /nfs/dbraw/zinc/74/14/22/1022741422.db2.gz UCCKZSXTLSYUEK-INIZCTEOSA-N 1 2 339.361 3.551 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000780496462 1022741436 /nfs/dbraw/zinc/74/14/36/1022741436.db2.gz UCCKZSXTLSYUEK-INIZCTEOSA-N 1 2 339.361 3.551 20 0 EHADLO Clc1ccccc1CCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000665020051 1022774699 /nfs/dbraw/zinc/77/46/99/1022774699.db2.gz NJMRRXRYTIUIGR-UHFFFAOYSA-N 1 2 342.830 3.632 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cc(Cl)cc3c2OCC3)cn1 ZINC000440469810 1022796429 /nfs/dbraw/zinc/79/64/29/1022796429.db2.gz VYNGLTAXBHTOHF-UHFFFAOYSA-N 1 2 331.847 3.820 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCC3)cn1 ZINC000440469810 1022796439 /nfs/dbraw/zinc/79/64/39/1022796439.db2.gz VYNGLTAXBHTOHF-UHFFFAOYSA-N 1 2 331.847 3.820 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(CC)CCC2)[C@H](C)C1 ZINC000441439140 1022798324 /nfs/dbraw/zinc/79/83/24/1022798324.db2.gz NQLFQVSHPHEIRB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(CC)CCC2)[C@H](C)C1 ZINC000441439140 1022798335 /nfs/dbraw/zinc/79/83/35/1022798335.db2.gz NQLFQVSHPHEIRB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CC[C@@H]1C[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000438610229 1022843190 /nfs/dbraw/zinc/84/31/90/1022843190.db2.gz LCIGVJUGYRPREB-NVXWUHKLSA-N 1 2 346.862 3.547 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000438607389 1022858397 /nfs/dbraw/zinc/85/83/97/1022858397.db2.gz TYHQJSGVECHLDW-CQSZACIVSA-N 1 2 325.334 3.579 20 0 EHADLO CCC1CCC(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000149658716 1033086627 /nfs/dbraw/zinc/08/66/27/1033086627.db2.gz QIOLDTTVATXNSV-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438639244 1022884770 /nfs/dbraw/zinc/88/47/70/1022884770.db2.gz ASZVUZUQNMJNPZ-CYBMUJFWSA-N 1 2 346.406 3.554 20 0 EHADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc(OCc2cccnc2)cc1 ZINC000891815904 1022902923 /nfs/dbraw/zinc/90/29/23/1022902923.db2.gz XBACTKSIVWIZCQ-OAHLLOKOSA-N 1 2 349.438 3.690 20 0 EHADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc(OCc2cccnc2)cc1 ZINC000891815904 1022902934 /nfs/dbraw/zinc/90/29/34/1022902934.db2.gz XBACTKSIVWIZCQ-OAHLLOKOSA-N 1 2 349.438 3.690 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(F)cc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000574404264 1033090617 /nfs/dbraw/zinc/09/06/17/1033090617.db2.gz NLMGSBMAKMKKLN-VIFPVBQESA-N 1 2 340.280 3.895 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)s1 ZINC000657092412 1022917460 /nfs/dbraw/zinc/91/74/60/1022917460.db2.gz FMAZOQPFPZZVSC-DZGCQCFKSA-N 1 2 338.498 3.691 20 0 EHADLO Fc1ccc(C[C@H]2CCCC[N@@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000729472130 1022942911 /nfs/dbraw/zinc/94/29/11/1022942911.db2.gz HMKGNFYCQYVWLQ-QGZVFWFLSA-N 1 2 346.475 3.943 20 0 EHADLO Fc1ccc(C[C@H]2CCCC[N@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000729472130 1022942922 /nfs/dbraw/zinc/94/29/22/1022942922.db2.gz HMKGNFYCQYVWLQ-QGZVFWFLSA-N 1 2 346.475 3.943 20 0 EHADLO C[C@@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000438740039 1022960961 /nfs/dbraw/zinc/96/09/61/1022960961.db2.gz WQFODSYNUWHARP-CRAIPNDOSA-N 1 2 341.455 3.863 20 0 EHADLO COc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)c(OCC(C)C)c1 ZINC000506885625 1022973489 /nfs/dbraw/zinc/97/34/89/1022973489.db2.gz QXQYOCWIDNCGNK-UHFFFAOYSA-N 1 2 339.395 3.630 20 0 EHADLO COc1cc(F)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341681779 1022991761 /nfs/dbraw/zinc/99/17/61/1022991761.db2.gz HUICXUJHQKYQJZ-OAHLLOKOSA-N 1 2 339.370 3.718 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)CC3(c4ccccc4)CC3)no2)cc1 ZINC000189325506 1023003793 /nfs/dbraw/zinc/00/37/93/1023003793.db2.gz VQAUTALPQBVIRF-UHFFFAOYSA-N 1 2 349.434 3.909 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)CC3(c4ccccc4)CC3)no2)cc1 ZINC000189325506 1023003806 /nfs/dbraw/zinc/00/38/06/1023003806.db2.gz VQAUTALPQBVIRF-UHFFFAOYSA-N 1 2 349.434 3.909 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2c2cccs2)nc2n1CCCCC2 ZINC000007143467 1023011190 /nfs/dbraw/zinc/01/11/90/1023011190.db2.gz UNKNXTRLMSLQIT-ZDUSSCGKSA-N 1 2 334.514 3.997 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2c2cccs2)nc2n1CCCCC2 ZINC000007143467 1023011201 /nfs/dbraw/zinc/01/12/01/1023011201.db2.gz UNKNXTRLMSLQIT-ZDUSSCGKSA-N 1 2 334.514 3.997 20 0 EHADLO CCC[C@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(=O)OC ZINC000426162629 1023019692 /nfs/dbraw/zinc/01/96/92/1023019692.db2.gz SJIBHSUOAVTTNZ-ZALBZXLWSA-N 1 2 340.261 3.626 20 0 EHADLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OCc1ccccc1 ZINC000509549957 1023028693 /nfs/dbraw/zinc/02/86/93/1023028693.db2.gz RMLDKHRHVMRQJP-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OCc1ccccc1 ZINC000509549957 1023028701 /nfs/dbraw/zinc/02/87/01/1023028701.db2.gz RMLDKHRHVMRQJP-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cc(F)cc(F)c1 ZINC000341691985 1023031899 /nfs/dbraw/zinc/03/18/99/1023031899.db2.gz DFIRDDBKIVMKOH-KRWDZBQOSA-N 1 2 341.361 3.526 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128812466 1023054082 /nfs/dbraw/zinc/05/40/82/1023054082.db2.gz KOIJQCDQOLEFBE-XHSDSOJGSA-N 1 2 326.444 3.621 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CCCc2ccccc21 ZINC000294565953 1023061371 /nfs/dbraw/zinc/06/13/71/1023061371.db2.gz BQTIKGUHSKVULU-MJGOQNOKSA-N 1 2 338.480 3.839 20 0 EHADLO CCc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000429612784 1023061899 /nfs/dbraw/zinc/06/18/99/1023061899.db2.gz QZQDDRBPWLIZKI-UHFFFAOYSA-N 1 2 326.444 3.754 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000548425678 1023107673 /nfs/dbraw/zinc/10/76/73/1023107673.db2.gz DKKUVSCXCXJURC-HTQZYQBOSA-N 1 2 328.235 3.543 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518192764 1023112658 /nfs/dbraw/zinc/11/26/58/1023112658.db2.gz QJIGARBKBDHJRA-DOTOQJQBSA-N 1 2 329.444 3.746 20 0 EHADLO CN(C)c1nc(C(F)(F)F)ccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000894827429 1023113711 /nfs/dbraw/zinc/11/37/11/1023113711.db2.gz CWUDKIFQMWEHQL-UHFFFAOYSA-N 1 2 341.299 3.551 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000891860441 1023115437 /nfs/dbraw/zinc/11/54/37/1023115437.db2.gz HDTDXQDKZHJRBQ-LJQANCHMSA-N 1 2 349.482 3.616 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000891860441 1023115445 /nfs/dbraw/zinc/11/54/45/1023115445.db2.gz HDTDXQDKZHJRBQ-LJQANCHMSA-N 1 2 349.482 3.616 20 0 EHADLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2CC)c(C)n1 ZINC000891862011 1023129663 /nfs/dbraw/zinc/12/96/63/1023129663.db2.gz PJQAUWLPFJJOOL-LJQANCHMSA-N 1 2 337.471 3.918 20 0 EHADLO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2CC)c(C)n1 ZINC000891862011 1023129671 /nfs/dbraw/zinc/12/96/71/1023129671.db2.gz PJQAUWLPFJJOOL-LJQANCHMSA-N 1 2 337.471 3.918 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000427001977 1023160359 /nfs/dbraw/zinc/16/03/59/1023160359.db2.gz MICHZRYNJLEDMB-CVEARBPZSA-N 1 2 348.437 3.792 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000427001977 1023160364 /nfs/dbraw/zinc/16/03/64/1023160364.db2.gz MICHZRYNJLEDMB-CVEARBPZSA-N 1 2 348.437 3.792 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)nn1 ZINC000449720469 1033109397 /nfs/dbraw/zinc/10/93/97/1033109397.db2.gz APMIUHLWLXUUFA-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729498556 1023181427 /nfs/dbraw/zinc/18/14/27/1023181427.db2.gz QXWHBJGVHMRNMU-HXUWFJFHSA-N 1 2 346.434 3.667 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC23CCCC3)c(C)c1 ZINC000441486281 1023194357 /nfs/dbraw/zinc/19/43/57/1023194357.db2.gz DYFFGLAZUAKDQL-RTBURBONSA-N 1 2 337.467 3.938 20 0 EHADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCc2ccc(Cl)cc21 ZINC000652786137 1023201886 /nfs/dbraw/zinc/20/18/86/1023201886.db2.gz GURFZUFRVVYLCR-LBPRGKRZSA-N 1 2 331.847 3.529 20 0 EHADLO CC(C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426256517 1023207053 /nfs/dbraw/zinc/20/70/53/1023207053.db2.gz MBRMMJYMAKTXOL-OALUTQOASA-N 1 2 340.471 3.847 20 0 EHADLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000426257644 1023210433 /nfs/dbraw/zinc/21/04/33/1023210433.db2.gz WEJHUIUFWLSHGN-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000426257644 1023210439 /nfs/dbraw/zinc/21/04/39/1023210439.db2.gz WEJHUIUFWLSHGN-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346023937 1023245055 /nfs/dbraw/zinc/24/50/55/1023245055.db2.gz VWMAZHHGPLLZSE-ZDUSSCGKSA-N 1 2 348.855 3.750 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341802165 1023340332 /nfs/dbraw/zinc/34/03/32/1023340332.db2.gz PKNVKCPVCHNMPQ-GOSISDBHSA-N 1 2 348.450 3.945 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913549 1023363447 /nfs/dbraw/zinc/36/34/47/1023363447.db2.gz TVUBCLBJZJNJMX-CQSZACIVSA-N 1 2 345.281 3.701 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913549 1023363457 /nfs/dbraw/zinc/36/34/57/1023363457.db2.gz TVUBCLBJZJNJMX-CQSZACIVSA-N 1 2 345.281 3.701 20 0 EHADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2ccccc2c1 ZINC000341830928 1023414864 /nfs/dbraw/zinc/41/48/64/1023414864.db2.gz HEROUFOQBUGHKF-UHFFFAOYSA-N 1 2 339.460 3.875 20 0 EHADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2ccccc2c1 ZINC000341830928 1023414866 /nfs/dbraw/zinc/41/48/66/1023414866.db2.gz HEROUFOQBUGHKF-UHFFFAOYSA-N 1 2 339.460 3.875 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@@H]3CCCC[C@@H]31)C2 ZINC000476312381 1033130644 /nfs/dbraw/zinc/13/06/44/1033130644.db2.gz YWZZYQAOQCXBJS-XOKHGSTOSA-N 1 2 347.528 3.525 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@@H]3CCCC[C@@H]31)CC2 ZINC000476312381 1033130651 /nfs/dbraw/zinc/13/06/51/1033130651.db2.gz YWZZYQAOQCXBJS-XOKHGSTOSA-N 1 2 347.528 3.525 20 0 EHADLO CCOC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000341835136 1023422233 /nfs/dbraw/zinc/42/22/33/1023422233.db2.gz LWRUKBOMQQJRFE-UHFFFAOYSA-N 1 2 338.860 3.692 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000535786185 1023634466 /nfs/dbraw/zinc/63/44/66/1023634466.db2.gz BHLCFUBBXUBVQQ-OAHLLOKOSA-N 1 2 339.361 3.620 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000535786185 1023634471 /nfs/dbraw/zinc/63/44/71/1023634471.db2.gz BHLCFUBBXUBVQQ-OAHLLOKOSA-N 1 2 339.361 3.620 20 0 EHADLO CC[C@H](S[C@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000341905122 1023676904 /nfs/dbraw/zinc/67/69/04/1023676904.db2.gz VGFBUTPKSPHHTD-PBHICJAKSA-N 1 2 338.492 3.563 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)n1 ZINC000594008694 1033156993 /nfs/dbraw/zinc/15/69/93/1033156993.db2.gz UOVKCFBUOGWEHR-UONOGXRCSA-N 1 2 332.473 3.577 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)n1 ZINC000594008694 1033156996 /nfs/dbraw/zinc/15/69/96/1033156996.db2.gz UOVKCFBUOGWEHR-UONOGXRCSA-N 1 2 332.473 3.577 20 0 EHADLO CCn1c(C)cc(C(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1C ZINC000341988361 1023735294 /nfs/dbraw/zinc/73/52/94/1023735294.db2.gz IPSUNKGMYJNRFB-UHFFFAOYSA-N 1 2 330.394 3.972 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341991483 1023745300 /nfs/dbraw/zinc/74/53/00/1023745300.db2.gz OBFDVOPYMCXCEF-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341991483 1023745306 /nfs/dbraw/zinc/74/53/06/1023745306.db2.gz OBFDVOPYMCXCEF-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341996882 1023755552 /nfs/dbraw/zinc/75/55/52/1023755552.db2.gz SRUDEJGHDDYNQW-LLVKDONJSA-N 1 2 339.361 3.799 20 0 EHADLO c1cn(-c2ccc(NCc3cnc(-c4ccccc4)nc3)cc2)c[nH+]1 ZINC000535837585 1023843606 /nfs/dbraw/zinc/84/36/06/1023843606.db2.gz IZDDJEIXCMOWPM-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1cn(C)cn1 ZINC000926314291 1023847056 /nfs/dbraw/zinc/84/70/56/1023847056.db2.gz WXHKCNDTOPPNBW-ZANVPECISA-N 1 2 338.274 3.680 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c[nH+]1 ZINC000458287133 1023859293 /nfs/dbraw/zinc/85/92/93/1023859293.db2.gz IYMICSOIYYTSSP-INIZCTEOSA-N 1 2 325.456 3.864 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000602793759 1033168028 /nfs/dbraw/zinc/16/80/28/1033168028.db2.gz KQLOUJRAMDABNX-INIZCTEOSA-N 1 2 328.412 3.566 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000602793759 1033168037 /nfs/dbraw/zinc/16/80/37/1033168037.db2.gz KQLOUJRAMDABNX-INIZCTEOSA-N 1 2 328.412 3.566 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000602795528 1033169594 /nfs/dbraw/zinc/16/95/94/1033169594.db2.gz BGYKUFGKEGAURX-HNNXBMFYSA-N 1 2 340.423 3.928 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000602795528 1033169609 /nfs/dbraw/zinc/16/96/09/1033169609.db2.gz BGYKUFGKEGAURX-HNNXBMFYSA-N 1 2 340.423 3.928 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954191 1023897577 /nfs/dbraw/zinc/89/75/77/1023897577.db2.gz PKGKYXNOARGFEC-GDBMZVCRSA-N 1 2 343.496 3.834 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954191 1023897587 /nfs/dbraw/zinc/89/75/87/1023897587.db2.gz PKGKYXNOARGFEC-GDBMZVCRSA-N 1 2 343.496 3.834 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(F)CC1)c1cc2ccccc2o1 ZINC000684623801 1023897617 /nfs/dbraw/zinc/89/76/17/1023897617.db2.gz ICEDAUAKKFEVKL-CHWSQXEVSA-N 1 2 336.382 3.730 20 0 EHADLO FCC[C@@H]1CCCN(c2cc(N3CCC[C@@H](CCF)C3)[nH+]cn2)C1 ZINC000664414827 1023956642 /nfs/dbraw/zinc/95/66/42/1023956642.db2.gz VEUQBIQKVDCSIG-HOTGVXAUSA-N 1 2 338.446 3.629 20 0 EHADLO Cc1nc(C)c(CNc2[nH+]cnc3c2cnn3-c2ccccc2)s1 ZINC000326994270 1024018358 /nfs/dbraw/zinc/01/83/58/1024018358.db2.gz NQYYLEOZIFLALO-UHFFFAOYSA-N 1 2 336.424 3.501 20 0 EHADLO Cc1cccc(C)c1CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513997686 1024023576 /nfs/dbraw/zinc/02/35/76/1024023576.db2.gz UVRQWVWPBRYPBZ-LJQANCHMSA-N 1 2 342.870 3.672 20 0 EHADLO Clc1cccc2nc(N3CC[C@H](Oc4cc[nH+]cc4)C3)ccc12 ZINC000443489843 1024035209 /nfs/dbraw/zinc/03/52/09/1024035209.db2.gz MTSSMQMDAQKWBE-AWEZNQCLSA-N 1 2 325.799 3.941 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000514000967 1024044892 /nfs/dbraw/zinc/04/48/92/1024044892.db2.gz DKXKWXXMUXSJTR-OAHLLOKOSA-N 1 2 334.357 3.523 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000514000967 1024044908 /nfs/dbraw/zinc/04/49/08/1024044908.db2.gz DKXKWXXMUXSJTR-OAHLLOKOSA-N 1 2 334.357 3.523 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000514004841 1024045861 /nfs/dbraw/zinc/04/58/61/1024045861.db2.gz VDGBJAJEUSHPQP-SFHVURJKSA-N 1 2 341.499 3.857 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccncc3)n2)cc1F ZINC000151105808 1024050582 /nfs/dbraw/zinc/05/05/82/1024050582.db2.gz PHRYCPVHVKRDTK-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000458355340 1024056740 /nfs/dbraw/zinc/05/67/40/1024056740.db2.gz LGYRZTAOZHDSRA-JKIFEVAISA-N 1 2 343.858 3.685 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2c2nnc3n2CCCC3)nc(C(C)C)[nH+]1 ZINC000133981987 1024059682 /nfs/dbraw/zinc/05/96/82/1024059682.db2.gz XLISERDJMSAHRT-OAHLLOKOSA-N 1 2 340.475 3.568 20 0 EHADLO Oc1cccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)c1 ZINC000443508584 1024066371 /nfs/dbraw/zinc/06/63/71/1024066371.db2.gz FWKIPPHPMNVUNA-UHFFFAOYSA-N 1 2 347.187 3.876 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cocn2)ccc1OCc1ccccc1 ZINC000594061704 1033185684 /nfs/dbraw/zinc/18/56/84/1033185684.db2.gz XGLLKWSPGASROQ-UHFFFAOYSA-N 1 2 338.407 3.942 20 0 EHADLO C[C@@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000346060344 1024072285 /nfs/dbraw/zinc/07/22/85/1024072285.db2.gz ITQFBALCACVVRN-CYSNLQCGSA-N 1 2 341.499 3.899 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586294 1024076920 /nfs/dbraw/zinc/07/69/20/1024076920.db2.gz WBNGKVBCDWTZCO-DLBZAZTESA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586294 1024076930 /nfs/dbraw/zinc/07/69/30/1024076930.db2.gz WBNGKVBCDWTZCO-DLBZAZTESA-N 1 2 334.435 3.718 20 0 EHADLO CCSCc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000455866077 1033181226 /nfs/dbraw/zinc/18/12/26/1033181226.db2.gz SOXNJKQNDKUAGI-UHFFFAOYSA-N 1 2 344.484 3.958 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000151383100 1024110009 /nfs/dbraw/zinc/11/00/09/1024110009.db2.gz NSPSUXSIMIXJKC-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cscn2)c(C(F)(F)F)c1 ZINC000895253738 1024129556 /nfs/dbraw/zinc/12/95/56/1024129556.db2.gz INKPRLFZZLDNGO-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO Cc1cc(N2CCC(CO)(Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000443946337 1024144288 /nfs/dbraw/zinc/14/42/88/1024144288.db2.gz LWIKUMSFHWRZCE-UHFFFAOYSA-N 1 2 339.483 3.730 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000514116536 1024147888 /nfs/dbraw/zinc/14/78/88/1024147888.db2.gz ISJOUWVFVFTDLR-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000514116536 1024147900 /nfs/dbraw/zinc/14/79/00/1024147900.db2.gz ISJOUWVFVFTDLR-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000353444091 1024161999 /nfs/dbraw/zinc/16/19/99/1024161999.db2.gz GFZLCCWMBHMXHP-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000353444091 1024162008 /nfs/dbraw/zinc/16/20/08/1024162008.db2.gz GFZLCCWMBHMXHP-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OCC)cc1 ZINC000514117402 1024163853 /nfs/dbraw/zinc/16/38/53/1024163853.db2.gz VZRVDTJIVDCXAL-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCC)cc1 ZINC000514117402 1024163860 /nfs/dbraw/zinc/16/38/60/1024163860.db2.gz VZRVDTJIVDCXAL-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000520591349 1024170654 /nfs/dbraw/zinc/17/06/54/1024170654.db2.gz ITMCVCBUZHMJPX-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1nnc2n1CCCCC2 ZINC000648414980 1024187315 /nfs/dbraw/zinc/18/73/15/1024187315.db2.gz GYKOWLJSQLJSLV-LLVKDONJSA-N 1 2 345.834 3.650 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000329790981 1024197786 /nfs/dbraw/zinc/19/77/86/1024197786.db2.gz DEGRFUXNQFOHPB-QGZVFWFLSA-N 1 2 343.475 3.554 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000329790981 1024197791 /nfs/dbraw/zinc/19/77/91/1024197791.db2.gz DEGRFUXNQFOHPB-QGZVFWFLSA-N 1 2 343.475 3.554 20 0 EHADLO Cc1cn2c(n1)[C@@H](CNc1nc(C3CCCCC3)ns1)CCC2 ZINC000562928077 1033193094 /nfs/dbraw/zinc/19/30/94/1033193094.db2.gz SRJIMXPBOXFCHW-CQSZACIVSA-N 1 2 331.489 3.502 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C3CCCCC3)ns1)CCC2 ZINC000562928077 1033193113 /nfs/dbraw/zinc/19/31/13/1033193113.db2.gz SRJIMXPBOXFCHW-CQSZACIVSA-N 1 2 331.489 3.502 20 0 EHADLO CC(C)(C)c1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)no1 ZINC000429682724 1024204883 /nfs/dbraw/zinc/20/48/83/1024204883.db2.gz OKQQHKAKWPTESP-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO O=C(Cn1ccc2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342134830 1024205494 /nfs/dbraw/zinc/20/54/94/1024205494.db2.gz SJFNCIMIYCCNBY-UHFFFAOYSA-N 1 2 334.354 3.605 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(C3CCCC3)no2)cc1F ZINC000192141618 1024237482 /nfs/dbraw/zinc/23/74/82/1024237482.db2.gz LKHPDINSOVVMLE-RDJZCZTQSA-N 1 2 349.381 3.625 20 0 EHADLO CC(C)n1cc(C[NH2+][C@H](C)c2ccc(Br)s2)nn1 ZINC000342146398 1024238670 /nfs/dbraw/zinc/23/86/70/1024238670.db2.gz SQLLXWKUYUPDMH-SECBINFHSA-N 1 2 329.267 3.534 20 0 EHADLO CCc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000342160546 1024269811 /nfs/dbraw/zinc/26/98/11/1024269811.db2.gz AJSYFMJKRDTZLN-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341387 1024274747 /nfs/dbraw/zinc/27/47/47/1024274747.db2.gz AWZUKZILLYVKOD-KBPBESRZSA-N 1 2 338.442 3.728 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341387 1024274754 /nfs/dbraw/zinc/27/47/54/1024274754.db2.gz AWZUKZILLYVKOD-KBPBESRZSA-N 1 2 338.442 3.728 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152386243 1024307485 /nfs/dbraw/zinc/30/74/85/1024307485.db2.gz VVUZSEFKHZHMQP-CABCVRRESA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152386243 1024307503 /nfs/dbraw/zinc/30/75/03/1024307503.db2.gz VVUZSEFKHZHMQP-CABCVRRESA-N 1 2 338.835 3.716 20 0 EHADLO C[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@]1(C)O ZINC001141769705 1024319334 /nfs/dbraw/zinc/31/93/34/1024319334.db2.gz YUIOACPKFIVHQF-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@]1(C)O ZINC001141769705 1024319351 /nfs/dbraw/zinc/31/93/51/1024319351.db2.gz YUIOACPKFIVHQF-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO COCc1n[nH]c(C[NH2+]Cc2ccccc2-c2ccc(C)cc2C)n1 ZINC000895347791 1024349599 /nfs/dbraw/zinc/34/95/99/1024349599.db2.gz QUFYGFMEIRWVGW-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152405541 1024363902 /nfs/dbraw/zinc/36/39/02/1024363902.db2.gz CHWLKOOUYJOCMV-VQIMIIECSA-N 1 2 337.467 3.533 20 0 EHADLO CCSc1ccccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522370766 1024376364 /nfs/dbraw/zinc/37/63/64/1024376364.db2.gz JILGTAHPZNQERS-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000434735979 1024400727 /nfs/dbraw/zinc/40/07/27/1024400727.db2.gz DXPDUSNNCZTXEU-NRFANRHFSA-N 1 2 332.451 3.739 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000434735979 1024400732 /nfs/dbraw/zinc/40/07/32/1024400732.db2.gz DXPDUSNNCZTXEU-NRFANRHFSA-N 1 2 332.451 3.739 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1cccc(F)c1 ZINC000505516150 1024414063 /nfs/dbraw/zinc/41/40/63/1024414063.db2.gz OQGTXCPKJZZVCS-LIRRHRJNSA-N 1 2 344.405 3.632 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000727495961 1024415472 /nfs/dbraw/zinc/41/54/72/1024415472.db2.gz ZCNWSEKYNBGXTJ-RDBSUJKOSA-N 1 2 345.409 3.783 20 0 EHADLO C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccc(F)c1 ZINC000443679129 1024418599 /nfs/dbraw/zinc/41/85/99/1024418599.db2.gz FGEVNXPJXNWLCQ-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccc(F)c1 ZINC000443679129 1024418605 /nfs/dbraw/zinc/41/86/05/1024418605.db2.gz FGEVNXPJXNWLCQ-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]C2(c3cccc(F)c3)CCC2)nn1 ZINC000647232961 1024418604 /nfs/dbraw/zinc/41/86/04/1024418604.db2.gz KQOOKARQKQIQJF-UHFFFAOYSA-N 1 2 336.414 3.884 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151688174 1024421408 /nfs/dbraw/zinc/42/14/08/1024421408.db2.gz MVSXFECZCFFSCI-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)Cc2c[nH+]cn2C)c1 ZINC000434852329 1024461703 /nfs/dbraw/zinc/46/17/03/1024461703.db2.gz VVMGDMGXBSUNST-UHFFFAOYSA-N 1 2 348.450 3.682 20 0 EHADLO CO[C@@H](C)c1nc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cs1 ZINC000156704178 1024476751 /nfs/dbraw/zinc/47/67/51/1024476751.db2.gz OPTXQXFAOZESIA-QMMMGPOBSA-N 1 2 342.346 3.662 20 0 EHADLO Cc1nc([C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)no1 ZINC000895400014 1024478225 /nfs/dbraw/zinc/47/82/25/1024478225.db2.gz FSDHDYFKAWVEOR-JTQLQIEISA-N 1 2 332.766 3.713 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000895408569 1024479651 /nfs/dbraw/zinc/47/96/51/1024479651.db2.gz GOPZFGPPLUREIP-KRWDZBQOSA-N 1 2 326.387 3.715 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000895408569 1024479670 /nfs/dbraw/zinc/47/96/70/1024479670.db2.gz GOPZFGPPLUREIP-KRWDZBQOSA-N 1 2 326.387 3.715 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3cnn(C4CCC4)c3)CC23CCOCC3)c1 ZINC000895432539 1024493718 /nfs/dbraw/zinc/49/37/18/1024493718.db2.gz BUQGXPXUDWRNDH-GOSISDBHSA-N 1 2 327.428 3.555 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3cnn(C4CCC4)c3)CC23CCOCC3)c1 ZINC000895432539 1024493724 /nfs/dbraw/zinc/49/37/24/1024493724.db2.gz BUQGXPXUDWRNDH-GOSISDBHSA-N 1 2 327.428 3.555 20 0 EHADLO C[C@@H]1CC[C@]2(CCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)C1 ZINC000425248697 1024505161 /nfs/dbraw/zinc/50/51/61/1024505161.db2.gz RRGDUEFJPJCCIB-MMOPVJDHSA-N 1 2 337.467 3.970 20 0 EHADLO COCC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccccc1 ZINC000505577375 1024512679 /nfs/dbraw/zinc/51/26/79/1024512679.db2.gz VAZDBXAUQVUTNY-HNNXBMFYSA-N 1 2 330.497 3.917 20 0 EHADLO COCC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccccc1 ZINC000505577375 1024512690 /nfs/dbraw/zinc/51/26/90/1024512690.db2.gz VAZDBXAUQVUTNY-HNNXBMFYSA-N 1 2 330.497 3.917 20 0 EHADLO O=C(c1coc2ccccc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282214187 1024518219 /nfs/dbraw/zinc/51/82/19/1024518219.db2.gz GVHSDIOJJQYHBU-HNNXBMFYSA-N 1 2 349.434 3.985 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000505574615 1024518556 /nfs/dbraw/zinc/51/85/56/1024518556.db2.gz ZBYOSFVFQUUEKM-VKUXZERMSA-N 1 2 349.478 3.781 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000114230335 1024519261 /nfs/dbraw/zinc/51/92/61/1024519261.db2.gz UEHXYUMMLMANDA-MRXNPFEDSA-N 1 2 329.488 3.905 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1OC ZINC000346197512 1024521220 /nfs/dbraw/zinc/52/12/20/1024521220.db2.gz BAGUXQOLNFEPPR-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1OC ZINC000346197512 1024521234 /nfs/dbraw/zinc/52/12/34/1024521234.db2.gz BAGUXQOLNFEPPR-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO CCCOc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000346204222 1024527023 /nfs/dbraw/zinc/52/70/23/1024527023.db2.gz POQDNBNFRCEFLQ-UHFFFAOYSA-N 1 2 347.378 3.773 20 0 EHADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3csc(C4CC4)n3)C2)cc1C ZINC000895497272 1024569310 /nfs/dbraw/zinc/56/93/10/1024569310.db2.gz GKUPJVYMYSCOLG-KRWDZBQOSA-N 1 2 341.480 3.920 20 0 EHADLO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@H](O)C1 ZINC000114469919 1024586617 /nfs/dbraw/zinc/58/66/17/1024586617.db2.gz BSQKRBIDJFDXQS-UFBFGSQYSA-N 1 2 327.268 3.852 20 0 EHADLO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H](O)C1 ZINC000114469919 1024586627 /nfs/dbraw/zinc/58/66/27/1024586627.db2.gz BSQKRBIDJFDXQS-UFBFGSQYSA-N 1 2 327.268 3.852 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc2c(c1)CCCC2 ZINC000474236818 1024615385 /nfs/dbraw/zinc/61/53/85/1024615385.db2.gz XVWPNLBVVXNJSC-OAHLLOKOSA-N 1 2 348.450 3.774 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614668137 1024627082 /nfs/dbraw/zinc/62/70/82/1024627082.db2.gz BWUHXNCNGSGFPK-UHFFFAOYSA-N 1 2 347.528 3.578 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@@H]1C ZINC000614670067 1024637817 /nfs/dbraw/zinc/63/78/17/1024637817.db2.gz SKSKYHVWBPUOAM-IKGGRYGDSA-N 1 2 349.544 3.680 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000346315291 1024640639 /nfs/dbraw/zinc/64/06/39/1024640639.db2.gz OYIUVJLRSGJCSN-HOTGVXAUSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000487440007 1024654316 /nfs/dbraw/zinc/65/43/16/1024654316.db2.gz LSHFKFKMOVJIKI-QGZVFWFLSA-N 1 2 333.435 3.884 20 0 EHADLO OCCC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1Cl ZINC000281100185 1024654927 /nfs/dbraw/zinc/65/49/27/1024654927.db2.gz VVZDGFNNKCNWQQ-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1Cl ZINC000281100185 1024654933 /nfs/dbraw/zinc/65/49/33/1024654933.db2.gz VVZDGFNNKCNWQQ-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000514739251 1024700220 /nfs/dbraw/zinc/70/02/20/1024700220.db2.gz XTYSHRGVTJQHPQ-NSHDSACASA-N 1 2 325.334 3.722 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000514739251 1024700230 /nfs/dbraw/zinc/70/02/30/1024700230.db2.gz XTYSHRGVTJQHPQ-NSHDSACASA-N 1 2 325.334 3.722 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000602879947 1033229666 /nfs/dbraw/zinc/22/96/66/1033229666.db2.gz QHCUJVDZDXGFLH-HXUWFJFHSA-N 1 2 335.455 3.551 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000602879947 1033229685 /nfs/dbraw/zinc/22/96/85/1033229685.db2.gz QHCUJVDZDXGFLH-HXUWFJFHSA-N 1 2 335.455 3.551 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000505630540 1024705380 /nfs/dbraw/zinc/70/53/80/1024705380.db2.gz DQZLMDLXXOJCSC-GOSISDBHSA-N 1 2 334.467 3.927 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCn2cccc2[C@H]1C ZINC000505630540 1024705393 /nfs/dbraw/zinc/70/53/93/1024705393.db2.gz DQZLMDLXXOJCSC-GOSISDBHSA-N 1 2 334.467 3.927 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnc(C(C)C)s1 ZINC000505634362 1024706472 /nfs/dbraw/zinc/70/64/72/1024706472.db2.gz MLNVWRHHMABXAT-UHFFFAOYSA-N 1 2 349.475 3.544 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnc(C(C)C)s1 ZINC000505634362 1024706489 /nfs/dbraw/zinc/70/64/89/1024706489.db2.gz MLNVWRHHMABXAT-UHFFFAOYSA-N 1 2 349.475 3.544 20 0 EHADLO CC(C)c1nc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cs1 ZINC000186448982 1024706724 /nfs/dbraw/zinc/70/67/24/1024706724.db2.gz OQPXSDOTCDVSCJ-CYBMUJFWSA-N 1 2 332.473 3.671 20 0 EHADLO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCOCC2)c1 ZINC000435238185 1024719389 /nfs/dbraw/zinc/71/93/89/1024719389.db2.gz CMSRVGRXTBCDHP-UHFFFAOYSA-N 1 2 347.462 3.739 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000425317748 1024742752 /nfs/dbraw/zinc/74/27/52/1024742752.db2.gz RZDVHXFYWDWYSQ-HBFSDRIKSA-N 1 2 335.451 3.579 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC[C@H]1C(F)F ZINC000425317370 1024743274 /nfs/dbraw/zinc/74/32/74/1024743274.db2.gz FRUDWSXKICRLKJ-CABCVRRESA-N 1 2 333.382 3.578 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000346472961 1024758162 /nfs/dbraw/zinc/75/81/62/1024758162.db2.gz YOFPHMKEOXPHQB-LJQANCHMSA-N 1 2 325.362 3.942 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCCCC1 ZINC001143431105 1024759427 /nfs/dbraw/zinc/75/94/27/1024759427.db2.gz FYNJYSJPAALORX-UHFFFAOYSA-N 1 2 327.428 3.763 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 ZINC000173330014 1033237723 /nfs/dbraw/zinc/23/77/23/1033237723.db2.gz NTIZMTQMQXOMIH-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 ZINC000173330014 1033237736 /nfs/dbraw/zinc/23/77/36/1033237736.db2.gz NTIZMTQMQXOMIH-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO COCc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000346467028 1024780220 /nfs/dbraw/zinc/78/02/20/1024780220.db2.gz TXKCGHODTRVNBZ-HXUWFJFHSA-N 1 2 337.398 3.641 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H]1CC[C@@H]1SC ZINC000425333108 1024795008 /nfs/dbraw/zinc/79/50/08/1024795008.db2.gz FFAMRCAZXRYHLV-WBVHZDCISA-N 1 2 336.501 3.616 20 0 EHADLO O=C(C1CCCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435329031 1024796460 /nfs/dbraw/zinc/79/64/60/1024796460.db2.gz UHBJDPKCNVWKJX-UHFFFAOYSA-N 1 2 331.847 3.756 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000514849544 1024798281 /nfs/dbraw/zinc/79/82/81/1024798281.db2.gz CFTHHLKBLAIUMK-MBNYWOFBSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000514849544 1024798291 /nfs/dbraw/zinc/79/82/91/1024798291.db2.gz CFTHHLKBLAIUMK-MBNYWOFBSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000104677773 1024800531 /nfs/dbraw/zinc/80/05/31/1024800531.db2.gz PRNLNSBYAGQVCM-WDEREUQCSA-N 1 2 336.785 3.790 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000104677773 1024800548 /nfs/dbraw/zinc/80/05/48/1024800548.db2.gz PRNLNSBYAGQVCM-WDEREUQCSA-N 1 2 336.785 3.790 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000514860843 1024816616 /nfs/dbraw/zinc/81/66/16/1024816616.db2.gz KJTUWFGMLQALNT-BXUZGUMPSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000514860846 1024818768 /nfs/dbraw/zinc/81/87/68/1024818768.db2.gz KJTUWFGMLQALNT-SMDDNHRTSA-N 1 2 336.798 3.791 20 0 EHADLO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(F)cc(F)cc1F ZINC001140537109 1024822794 /nfs/dbraw/zinc/82/27/94/1024822794.db2.gz ZWOKUBKBOKTMDO-UHFFFAOYSA-N 1 2 346.393 3.841 20 0 EHADLO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(F)cc(F)cc1F ZINC001140537109 1024822809 /nfs/dbraw/zinc/82/28/09/1024822809.db2.gz ZWOKUBKBOKTMDO-UHFFFAOYSA-N 1 2 346.393 3.841 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Cl ZINC000425351808 1024834537 /nfs/dbraw/zinc/83/45/37/1024834537.db2.gz NRTQDADZIRDKCE-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Cl ZINC000425351808 1024834557 /nfs/dbraw/zinc/83/45/57/1024834557.db2.gz NRTQDADZIRDKCE-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO Cc1cc([C@H]([NH2+][C@@H](CCO)c2ccco2)c2cccnc2)ccc1F ZINC000346537040 1024841126 /nfs/dbraw/zinc/84/11/26/1024841126.db2.gz JBLLITMETDWRTO-ICSRJNTNSA-N 1 2 340.398 3.925 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)cc1Cl ZINC000375655974 1024845894 /nfs/dbraw/zinc/84/58/94/1024845894.db2.gz OKHXLUPAEATWLZ-SJCJKPOMSA-N 1 2 331.847 3.877 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000427869922 1024855645 /nfs/dbraw/zinc/85/56/45/1024855645.db2.gz XJBXWIURNCYGAF-ZDUSSCGKSA-N 1 2 340.402 3.574 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccco1 ZINC000607633344 1033242066 /nfs/dbraw/zinc/24/20/66/1033242066.db2.gz NVFSVTJBGKYLAP-CHWSQXEVSA-N 1 2 333.457 3.710 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccco1 ZINC000607633344 1033242080 /nfs/dbraw/zinc/24/20/80/1033242080.db2.gz NVFSVTJBGKYLAP-CHWSQXEVSA-N 1 2 333.457 3.710 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+]Cc2ncc(C(C)C)s2)c(Cl)c1 ZINC000425367698 1024876159 /nfs/dbraw/zinc/87/61/59/1024876159.db2.gz IMWIFWURAXGTIX-UHFFFAOYSA-N 1 2 337.876 3.957 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327646 1024901852 /nfs/dbraw/zinc/90/18/52/1024901852.db2.gz JGYWFMSSOHOEKL-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327646 1024901861 /nfs/dbraw/zinc/90/18/61/1024901861.db2.gz JGYWFMSSOHOEKL-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO CCc1cccnc1-c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000346591951 1024904521 /nfs/dbraw/zinc/90/45/21/1024904521.db2.gz WCSNLOUJDGBGFO-UHFFFAOYSA-N 1 2 331.379 3.855 20 0 EHADLO Fc1ccc2c(C[NH2+]Cc3cnc(CC(F)(F)F)s3)noc2c1 ZINC000895863825 1024905946 /nfs/dbraw/zinc/90/59/46/1024905946.db2.gz KSAIPRAECRBBRF-UHFFFAOYSA-N 1 2 345.321 3.818 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCOC[C@H]1c1nc2ccccc2s1 ZINC000425375616 1024906159 /nfs/dbraw/zinc/90/61/59/1024906159.db2.gz CWPPANHXZGPUTN-INIZCTEOSA-N 1 2 342.468 3.647 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000346598467 1024910030 /nfs/dbraw/zinc/91/00/30/1024910030.db2.gz GHLZZLJNRNRBFF-RHSMWYFYSA-N 1 2 340.389 3.546 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000346598467 1024910037 /nfs/dbraw/zinc/91/00/37/1024910037.db2.gz GHLZZLJNRNRBFF-RHSMWYFYSA-N 1 2 340.389 3.546 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)cc1 ZINC000895851936 1024913225 /nfs/dbraw/zinc/91/32/25/1024913225.db2.gz ZWOOLVNUNPPUFP-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)cc1 ZINC000895851936 1024913229 /nfs/dbraw/zinc/91/32/29/1024913229.db2.gz ZWOOLVNUNPPUFP-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000514941875 1024915885 /nfs/dbraw/zinc/91/58/85/1024915885.db2.gz JUBDORVBGJJCST-NEPJUHHUSA-N 1 2 325.334 3.730 20 0 EHADLO CC[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474421081 1024932122 /nfs/dbraw/zinc/93/21/22/1024932122.db2.gz KIOUYQHDNANLNQ-WBVHZDCISA-N 1 2 339.483 3.948 20 0 EHADLO CC[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474421081 1024932134 /nfs/dbraw/zinc/93/21/34/1024932134.db2.gz KIOUYQHDNANLNQ-WBVHZDCISA-N 1 2 339.483 3.948 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153822 1024938702 /nfs/dbraw/zinc/93/87/02/1024938702.db2.gz FLAPVCFVVSSQPG-UONOGXRCSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153822 1024938710 /nfs/dbraw/zinc/93/87/10/1024938710.db2.gz FLAPVCFVVSSQPG-UONOGXRCSA-N 1 2 345.512 3.712 20 0 EHADLO Cc1ccc2c(NC[C@H](c3c(F)cccc3F)[NH+](C)C)ccnc2n1 ZINC000435503382 1024970066 /nfs/dbraw/zinc/97/00/66/1024970066.db2.gz YGTSHFCKPFXQGU-QGZVFWFLSA-N 1 2 342.393 3.931 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346632320 1024971878 /nfs/dbraw/zinc/97/18/78/1024971878.db2.gz MKFCYUYDEGIDBU-IBGZPJMESA-N 1 2 325.362 3.942 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccnc(OC)c1F)CCC2 ZINC000892141998 1024989427 /nfs/dbraw/zinc/98/94/27/1024989427.db2.gz XOGXUNFLRBRIFC-CYBMUJFWSA-N 1 2 335.448 3.758 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccnc(OC)c1F)CCC2 ZINC000892141998 1024989440 /nfs/dbraw/zinc/98/94/40/1024989440.db2.gz XOGXUNFLRBRIFC-CYBMUJFWSA-N 1 2 335.448 3.758 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2cc(O)ccc2Br)c1 ZINC000354034069 1024992356 /nfs/dbraw/zinc/99/23/56/1024992356.db2.gz OWKVBOSJMNZNRJ-UHFFFAOYSA-N 1 2 349.272 3.853 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2cc(O)ccc2Br)c1 ZINC000354034069 1024992366 /nfs/dbraw/zinc/99/23/66/1024992366.db2.gz OWKVBOSJMNZNRJ-UHFFFAOYSA-N 1 2 349.272 3.853 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)C)c(C)c1 ZINC000428109019 1024997417 /nfs/dbraw/zinc/99/74/17/1024997417.db2.gz VQQXUTJMRLRZQQ-GOSISDBHSA-N 1 2 328.460 3.587 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000059387673 1025010763 /nfs/dbraw/zinc/01/07/63/1025010763.db2.gz WARIJHCLFNXRFN-MRXNPFEDSA-N 1 2 328.431 3.867 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000059387673 1025010772 /nfs/dbraw/zinc/01/07/72/1025010772.db2.gz WARIJHCLFNXRFN-MRXNPFEDSA-N 1 2 328.431 3.867 20 0 EHADLO CC[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2O1 ZINC000342360205 1025055457 /nfs/dbraw/zinc/05/54/57/1025055457.db2.gz BADJMDJWHODDMB-SFHVURJKSA-N 1 2 347.418 3.749 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)no1 ZINC000520830438 1025069198 /nfs/dbraw/zinc/06/91/98/1025069198.db2.gz IJAQANZYACTRQG-KURKYZTESA-N 1 2 343.471 3.853 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000346777152 1025114985 /nfs/dbraw/zinc/11/49/85/1025114985.db2.gz CAGXUGLOTWGSAA-USSHROBNSA-N 1 2 332.513 3.780 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582065923 1025149827 /nfs/dbraw/zinc/14/98/27/1025149827.db2.gz KDFYVZLFOZQFCU-CRAIPNDOSA-N 1 2 331.435 3.699 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000515297155 1025158955 /nfs/dbraw/zinc/15/89/55/1025158955.db2.gz MWXGIBULPLRQEE-KRWDZBQOSA-N 1 2 342.418 3.515 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000515297155 1025158959 /nfs/dbraw/zinc/15/89/59/1025158959.db2.gz MWXGIBULPLRQEE-KRWDZBQOSA-N 1 2 342.418 3.515 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000442115851 1025176077 /nfs/dbraw/zinc/17/60/77/1025176077.db2.gz QMIAWBQFDSZUPA-UHFFFAOYSA-N 1 2 338.432 3.964 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000515340083 1025178455 /nfs/dbraw/zinc/17/84/55/1025178455.db2.gz MAZVAFNVJQRWNN-IBGZPJMESA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000515340083 1025178458 /nfs/dbraw/zinc/17/84/58/1025178458.db2.gz MAZVAFNVJQRWNN-IBGZPJMESA-N 1 2 342.414 3.918 20 0 EHADLO O=C(NCCc1cccc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000522730403 1025185847 /nfs/dbraw/zinc/18/58/47/1025185847.db2.gz NOBNHWIFSNHLCV-UHFFFAOYSA-N 1 2 341.414 3.998 20 0 EHADLO FC(F)c1cscc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000896163123 1025191287 /nfs/dbraw/zinc/19/12/87/1025191287.db2.gz KHKNZOLHAMRPJW-JOYOIKCWSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1cscc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000896163123 1025191290 /nfs/dbraw/zinc/19/12/90/1025191290.db2.gz KHKNZOLHAMRPJW-JOYOIKCWSA-N 1 2 341.383 3.662 20 0 EHADLO CC(C)(C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)c1c[nH+]c[nH]1 ZINC000346835913 1025224650 /nfs/dbraw/zinc/22/46/50/1025224650.db2.gz YGKZKYGXPOTTAN-UHFFFAOYSA-N 1 2 338.238 3.579 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(-c3ccccn3)nc2)o1 ZINC000425429818 1025263361 /nfs/dbraw/zinc/26/33/61/1025263361.db2.gz BFBDEJXFIVXYOU-LJQANCHMSA-N 1 2 337.423 3.776 20 0 EHADLO O[C@@H]1CC[N@H+]([C@@H](c2nnc[nH]2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000639371409 1025291026 /nfs/dbraw/zinc/29/10/26/1025291026.db2.gz SKHOHMIYPFDBBV-GUDVDZBRSA-N 1 2 340.471 3.624 20 0 EHADLO O[C@@H]1CC[N@@H+]([C@@H](c2nnc[nH]2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000639371409 1025291036 /nfs/dbraw/zinc/29/10/36/1025291036.db2.gz SKHOHMIYPFDBBV-GUDVDZBRSA-N 1 2 340.471 3.624 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000650598526 1025291191 /nfs/dbraw/zinc/29/11/91/1025291191.db2.gz GZAQYFPWVWRLGK-ZWKOTPCHSA-N 1 2 340.471 3.555 20 0 EHADLO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388773 1033274518 /nfs/dbraw/zinc/27/45/18/1033274518.db2.gz AXSAJMOBGQMULV-DNVCBOLYSA-N 1 2 343.446 3.908 20 0 EHADLO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388773 1033274522 /nfs/dbraw/zinc/27/45/22/1033274522.db2.gz AXSAJMOBGQMULV-DNVCBOLYSA-N 1 2 343.446 3.908 20 0 EHADLO Cn1ncc2c1C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)CC2 ZINC001143436845 1025327931 /nfs/dbraw/zinc/32/79/31/1025327931.db2.gz QXSPLMVIPCFCAM-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1ncc2c1C[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)CC2 ZINC001143436845 1025327946 /nfs/dbraw/zinc/32/79/46/1025327946.db2.gz QXSPLMVIPCFCAM-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc(C)[nH+]1 ZINC000582115383 1025338929 /nfs/dbraw/zinc/33/89/29/1025338929.db2.gz IGOUUPZOBIUKEY-WKILWMFISA-N 1 2 327.403 3.583 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000281676071 1025360098 /nfs/dbraw/zinc/36/00/98/1025360098.db2.gz LYAHVSIWFFSWDM-GXFFZTMASA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000281676071 1025360109 /nfs/dbraw/zinc/36/01/09/1025360109.db2.gz LYAHVSIWFFSWDM-GXFFZTMASA-N 1 2 328.243 3.640 20 0 EHADLO CC(C)c1cc(N2CCC(CO)(C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000896329299 1025360970 /nfs/dbraw/zinc/36/09/70/1025360970.db2.gz MXYMPILUGPZQHQ-UHFFFAOYSA-N 1 2 345.409 3.865 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000548686941 1025375830 /nfs/dbraw/zinc/37/58/30/1025375830.db2.gz UBYWFZNOMBUGFP-IAGOWNOFSA-N 1 2 334.508 3.958 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000436131211 1025402171 /nfs/dbraw/zinc/40/21/71/1025402171.db2.gz YGGRQNSWLGMRBM-GOSISDBHSA-N 1 2 338.386 3.785 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000511082430 1025416734 /nfs/dbraw/zinc/41/67/34/1025416734.db2.gz RYVCMMMHUAINGF-NRFANRHFSA-N 1 2 338.451 3.882 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000511082430 1025416747 /nfs/dbraw/zinc/41/67/47/1025416747.db2.gz RYVCMMMHUAINGF-NRFANRHFSA-N 1 2 338.451 3.882 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000324381646 1025418752 /nfs/dbraw/zinc/41/87/52/1025418752.db2.gz NJIDPCKFOMHANC-CABCVRRESA-N 1 2 328.460 3.815 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000522800315 1025456293 /nfs/dbraw/zinc/45/62/93/1025456293.db2.gz SAEKYNDQVRKLPK-CRAIPNDOSA-N 1 2 332.492 3.720 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000522800315 1025456296 /nfs/dbraw/zinc/45/62/96/1025456296.db2.gz SAEKYNDQVRKLPK-CRAIPNDOSA-N 1 2 332.492 3.720 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccnc1Cl ZINC000281768165 1025476850 /nfs/dbraw/zinc/47/68/50/1025476850.db2.gz WSLSTPXSBSCTIC-JTQLQIEISA-N 1 2 345.752 3.922 20 0 EHADLO COc1ncc([C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)cc1Cl ZINC000285864097 1025481390 /nfs/dbraw/zinc/48/13/90/1025481390.db2.gz ZWSYKOXQCGNYNW-DTWKUNHWSA-N 1 2 327.762 3.829 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)[nH]n1 ZINC000442814062 1025509787 /nfs/dbraw/zinc/50/97/87/1025509787.db2.gz SVUHSHZWFUWVLJ-LBPRGKRZSA-N 1 2 345.390 3.671 20 0 EHADLO FC(F)(F)c1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)[nH]n1 ZINC000442814062 1025509789 /nfs/dbraw/zinc/50/97/89/1025509789.db2.gz SVUHSHZWFUWVLJ-LBPRGKRZSA-N 1 2 345.390 3.671 20 0 EHADLO c1cc2ccc(-c3noc(-c4cccc(Cn5cc[nH+]c5)c4)n3)nc2[nH]1 ZINC000347111111 1025516216 /nfs/dbraw/zinc/51/62/16/1025516216.db2.gz CYBCYIYVIUVLBE-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000281841596 1025565427 /nfs/dbraw/zinc/56/54/27/1025565427.db2.gz QXVBSDHRJWWSQI-IYARVYRRSA-N 1 2 338.455 3.519 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442887276 1025569008 /nfs/dbraw/zinc/56/90/08/1025569008.db2.gz XLGJGYLUZKDYRD-CYBMUJFWSA-N 1 2 338.879 3.865 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000179179704 1025646830 /nfs/dbraw/zinc/64/68/30/1025646830.db2.gz YKZQKTQWOKKLQZ-HUUCEWRRSA-N 1 2 345.443 3.635 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000179179704 1025646840 /nfs/dbraw/zinc/64/68/40/1025646840.db2.gz YKZQKTQWOKKLQZ-HUUCEWRRSA-N 1 2 345.443 3.635 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347196392 1025663727 /nfs/dbraw/zinc/66/37/27/1025663727.db2.gz AYOUHPCJZFOCLB-GJZGRUSLSA-N 1 2 329.469 3.544 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000443017196 1025666754 /nfs/dbraw/zinc/66/67/54/1025666754.db2.gz YUDZPZXZJSDWQH-QGZVFWFLSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1nccnc1N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000443069965 1025688394 /nfs/dbraw/zinc/68/83/94/1025688394.db2.gz YNCHEGQSKWYWKK-UHFFFAOYSA-N 1 2 342.830 3.507 20 0 EHADLO Cc1cc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)nc(C(C)C)[nH+]1 ZINC000342471169 1025705852 /nfs/dbraw/zinc/70/58/52/1025705852.db2.gz WKSJMUFEOCZEHX-CQSZACIVSA-N 1 2 347.463 3.661 20 0 EHADLO CC(C)SCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000515879012 1025706956 /nfs/dbraw/zinc/70/69/56/1025706956.db2.gz FOEGQJUOZDZKFP-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO CC(C)SCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000515879012 1025706969 /nfs/dbraw/zinc/70/69/69/1025706969.db2.gz FOEGQJUOZDZKFP-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000657381618 1025725862 /nfs/dbraw/zinc/72/58/62/1025725862.db2.gz HCZDYVAYIPOURZ-KGLIPLIRSA-N 1 2 347.459 3.632 20 0 EHADLO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425554250 1025738379 /nfs/dbraw/zinc/73/83/79/1025738379.db2.gz VZTXJPXLLHFMMV-RTBURBONSA-N 1 2 329.827 3.851 20 0 EHADLO CC(=O)c1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425554250 1025738398 /nfs/dbraw/zinc/73/83/98/1025738398.db2.gz VZTXJPXLLHFMMV-RTBURBONSA-N 1 2 329.827 3.851 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000521853193 1025745793 /nfs/dbraw/zinc/74/57/93/1025745793.db2.gz MEFUKOHKVLOIOJ-UHFFFAOYSA-N 1 2 348.468 3.957 20 0 EHADLO O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435579977 1025749388 /nfs/dbraw/zinc/74/93/88/1025749388.db2.gz ODSAHZOUIKNJDH-UHFFFAOYSA-N 1 2 342.487 3.515 20 0 EHADLO O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435579977 1025749404 /nfs/dbraw/zinc/74/94/04/1025749404.db2.gz ODSAHZOUIKNJDH-UHFFFAOYSA-N 1 2 342.487 3.515 20 0 EHADLO CC[C@H]1CCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451282201 1025756672 /nfs/dbraw/zinc/75/66/72/1025756672.db2.gz BEOZAKKCZYQXKY-YJBOKZPZSA-N 1 2 329.488 3.752 20 0 EHADLO COCCC1(c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CCCC1 ZINC000896629619 1025761192 /nfs/dbraw/zinc/76/11/92/1025761192.db2.gz UNWXXEGJVRLXSB-UHFFFAOYSA-N 1 2 338.411 3.771 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1C1CCCC1 ZINC000530400485 1025766662 /nfs/dbraw/zinc/76/66/62/1025766662.db2.gz UYROUTJNHGXRIN-UHFFFAOYSA-N 1 2 349.438 3.999 20 0 EHADLO FC(F)(F)c1cccc([C@]2(F)CC[N@H+](Cc3cnccn3)C2)c1 ZINC000582286905 1025767027 /nfs/dbraw/zinc/76/70/27/1025767027.db2.gz GBEMZBULAHCNGP-HNNXBMFYSA-N 1 2 325.309 3.566 20 0 EHADLO FC(F)(F)c1cccc([C@]2(F)CC[N@@H+](Cc3cnccn3)C2)c1 ZINC000582286905 1025767039 /nfs/dbraw/zinc/76/70/39/1025767039.db2.gz GBEMZBULAHCNGP-HNNXBMFYSA-N 1 2 325.309 3.566 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348293213 1025772232 /nfs/dbraw/zinc/77/22/32/1025772232.db2.gz OLBMGRQLKWIXJJ-HOYKHHGWSA-N 1 2 340.448 3.551 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1cc(C)nc3c(F)c(F)ccc13)C2 ZINC000896660974 1025801204 /nfs/dbraw/zinc/80/12/04/1025801204.db2.gz WDMKZDDKZQDBMZ-UHFFFAOYSA-N 1 2 328.366 3.601 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000521943467 1025812846 /nfs/dbraw/zinc/81/28/46/1025812846.db2.gz BGOVWJKUMBGKAA-ZWKOTPCHSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000521943467 1025812863 /nfs/dbraw/zinc/81/28/63/1025812863.db2.gz BGOVWJKUMBGKAA-ZWKOTPCHSA-N 1 2 347.409 3.540 20 0 EHADLO COc1cccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000530471536 1025882627 /nfs/dbraw/zinc/88/26/27/1025882627.db2.gz FVQYNEFREMXLHJ-OAGGEKHMSA-N 1 2 341.455 3.877 20 0 EHADLO CCCOc1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000051612240 1025911237 /nfs/dbraw/zinc/91/12/37/1025911237.db2.gz DDAYXDZGIOXCIB-UHFFFAOYSA-N 1 2 343.427 3.818 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccc(SC(F)(F)F)c2)[nH+]c1C ZINC000896908088 1025916054 /nfs/dbraw/zinc/91/60/54/1025916054.db2.gz UUOCMBOPNIPUAH-UHFFFAOYSA-N 1 2 329.347 3.568 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(CF)CC1 ZINC000451397042 1025921834 /nfs/dbraw/zinc/92/18/34/1025921834.db2.gz UFXOIWNJJYCLQU-LBPRGKRZSA-N 1 2 346.402 3.644 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000436617765 1025949443 /nfs/dbraw/zinc/94/94/43/1025949443.db2.gz JJCAWMNDDLMUSL-RDTXWAMCSA-N 1 2 341.455 3.744 20 0 EHADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(Br)c(Cl)c1 ZINC000191185632 1025986647 /nfs/dbraw/zinc/98/66/47/1025986647.db2.gz WTTXUEPNYBFYMM-UWVGGRQHSA-N 1 2 332.669 3.836 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc32)[nH+]c1C ZINC000896916213 1025994355 /nfs/dbraw/zinc/99/43/55/1025994355.db2.gz UVCYRIBVQISWAO-UHFFFAOYSA-N 1 2 338.386 3.521 20 0 EHADLO CC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000896916737 1026000521 /nfs/dbraw/zinc/00/05/21/1026000521.db2.gz IKDHIENCXFGCMR-AWEZNQCLSA-N 1 2 339.361 3.855 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](SCc2ccccc2)C(C)C)[nH+]c1C ZINC000896922079 1026043711 /nfs/dbraw/zinc/04/37/11/1026043711.db2.gz XTHPFMRVAZZUTI-KRWDZBQOSA-N 1 2 331.485 3.601 20 0 EHADLO Fc1ccc(Br)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000314643211 1026078560 /nfs/dbraw/zinc/07/85/60/1026078560.db2.gz MSXJAYSGKJTELR-UHFFFAOYSA-N 1 2 349.247 3.910 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@H]1C ZINC000451541741 1026087304 /nfs/dbraw/zinc/08/73/04/1026087304.db2.gz MEAPLGLSGFLVLV-MPKXVKKWSA-N 1 2 349.500 3.822 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@H]1C ZINC000451541741 1026087325 /nfs/dbraw/zinc/08/73/25/1026087325.db2.gz MEAPLGLSGFLVLV-MPKXVKKWSA-N 1 2 349.500 3.822 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(Br)cc(C)n2)[nH+]c1C ZINC000895193999 1026089241 /nfs/dbraw/zinc/08/92/41/1026089241.db2.gz AJWKXHGWKHNINR-ZDUSSCGKSA-N 1 2 335.249 3.834 20 0 EHADLO CCc1nc2sccc2c(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC000895193822 1026089763 /nfs/dbraw/zinc/08/97/63/1026089763.db2.gz UKHANBUGSMEIED-ZDUSSCGKSA-N 1 2 327.457 3.935 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451556891 1026108005 /nfs/dbraw/zinc/10/80/05/1026108005.db2.gz DUFBUQRVEYYQNL-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451556891 1026108011 /nfs/dbraw/zinc/10/80/11/1026108011.db2.gz DUFBUQRVEYYQNL-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000631317610 1026112066 /nfs/dbraw/zinc/11/20/66/1026112066.db2.gz NUNGAMLADIKCHE-HXUWFJFHSA-N 1 2 348.450 3.632 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc2cnccc21 ZINC000277586168 1026185810 /nfs/dbraw/zinc/18/58/10/1026185810.db2.gz OUVMJPYDGPZXMK-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000158639616 1026206096 /nfs/dbraw/zinc/20/60/96/1026206096.db2.gz OGFQICOOHZUZFE-UHFFFAOYSA-N 1 2 338.451 3.755 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000158639616 1026206108 /nfs/dbraw/zinc/20/61/08/1026206108.db2.gz OGFQICOOHZUZFE-UHFFFAOYSA-N 1 2 338.451 3.755 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)o2)cc1 ZINC000475128476 1026223789 /nfs/dbraw/zinc/22/37/89/1026223789.db2.gz ICGDLKMKLUMWDF-OALUTQOASA-N 1 2 339.435 3.825 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)o2)cc1 ZINC000475128476 1026223800 /nfs/dbraw/zinc/22/38/00/1026223800.db2.gz ICGDLKMKLUMWDF-OALUTQOASA-N 1 2 339.435 3.825 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511124079 1026234709 /nfs/dbraw/zinc/23/47/09/1026234709.db2.gz KHBJUJJUWBIVNV-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000511124079 1026234722 /nfs/dbraw/zinc/23/47/22/1026234722.db2.gz KHBJUJJUWBIVNV-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000475146421 1026240177 /nfs/dbraw/zinc/24/01/77/1026240177.db2.gz OFXBZVKOERVNIV-BEFAXECRSA-N 1 2 329.415 3.521 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000128295072 1026257309 /nfs/dbraw/zinc/25/73/09/1026257309.db2.gz ZTYIAKSMODMPEP-CQSZACIVSA-N 1 2 341.386 3.947 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1F ZINC000063755348 1026269855 /nfs/dbraw/zinc/26/98/55/1026269855.db2.gz UXGJJXHLPBJXCI-UHFFFAOYSA-N 1 2 334.460 3.806 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1F ZINC000063755348 1026269866 /nfs/dbraw/zinc/26/98/66/1026269866.db2.gz UXGJJXHLPBJXCI-UHFFFAOYSA-N 1 2 334.460 3.806 20 0 EHADLO CCCC(C)(C)[N@@H+](Cc1noc(CCOC)n1)Cc1cccs1 ZINC000582449018 1026290319 /nfs/dbraw/zinc/29/03/19/1026290319.db2.gz GQLXUUDPPCNFQH-UHFFFAOYSA-N 1 2 337.489 3.901 20 0 EHADLO CCCC(C)(C)[N@H+](Cc1noc(CCOC)n1)Cc1cccs1 ZINC000582449018 1026290332 /nfs/dbraw/zinc/29/03/32/1026290332.db2.gz GQLXUUDPPCNFQH-UHFFFAOYSA-N 1 2 337.489 3.901 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CC4(CCC4)[C@@H]3c3ccco3)on2)cnn1C ZINC000451858153 1026328685 /nfs/dbraw/zinc/32/86/85/1026328685.db2.gz RHOWCLYMFSNQRD-SFHVURJKSA-N 1 2 338.411 3.704 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CC4(CCC4)[C@@H]3c3ccco3)on2)cnn1C ZINC000451858153 1026328696 /nfs/dbraw/zinc/32/86/96/1026328696.db2.gz RHOWCLYMFSNQRD-SFHVURJKSA-N 1 2 338.411 3.704 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](Cc4ccccc4)[C@@H]3C)[nH+]c12 ZINC000530834068 1026331252 /nfs/dbraw/zinc/33/12/52/1026331252.db2.gz MWJGOUUZZYXZCL-PKOBYXMFSA-N 1 2 347.462 3.665 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1nccs1)CCC2 ZINC000192839898 1026375235 /nfs/dbraw/zinc/37/52/35/1026375235.db2.gz UMXRDKKPTWYEGB-NWDGAFQWSA-N 1 2 334.441 3.949 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)[C@H](C)C3CCCCC3)[nH+]c12 ZINC000530890924 1026379280 /nfs/dbraw/zinc/37/92/80/1026379280.db2.gz YKLUZTNAPDRPNG-JKSUJKDBSA-N 1 2 327.472 3.906 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451964350 1026400201 /nfs/dbraw/zinc/40/02/01/1026400201.db2.gz JYHAFNFHDQTGJG-UHFFFAOYSA-N 1 2 348.441 3.729 20 0 EHADLO Brc1ccc(CC2C[NH+](Cc3nccn3C3CC3)C2)cc1 ZINC000897139672 1026409467 /nfs/dbraw/zinc/40/94/67/1026409467.db2.gz FBKVNSRUHJCAEQ-UHFFFAOYSA-N 1 2 346.272 3.655 20 0 EHADLO Clc1ccccc1[C@@H](CNc1nc(C2CC2)ns1)[NH+]1CCCC1 ZINC000530934124 1026417831 /nfs/dbraw/zinc/41/78/31/1026417831.db2.gz KINLFKBEAMAASH-OAHLLOKOSA-N 1 2 348.903 3.740 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3F)on2)cn1 ZINC000451970573 1026428505 /nfs/dbraw/zinc/42/85/05/1026428505.db2.gz LXPRBIPMTIQEJX-SFHVURJKSA-N 1 2 344.365 3.690 20 0 EHADLO Cn1cc(-c2cc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3F)on2)cn1 ZINC000451970573 1026428514 /nfs/dbraw/zinc/42/85/14/1026428514.db2.gz LXPRBIPMTIQEJX-SFHVURJKSA-N 1 2 344.365 3.690 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3F)on2)cn1 ZINC000451970571 1026429315 /nfs/dbraw/zinc/42/93/15/1026429315.db2.gz LXPRBIPMTIQEJX-GOSISDBHSA-N 1 2 344.365 3.690 20 0 EHADLO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3F)on2)cn1 ZINC000451970571 1026429318 /nfs/dbraw/zinc/42/93/18/1026429318.db2.gz LXPRBIPMTIQEJX-GOSISDBHSA-N 1 2 344.365 3.690 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+](Cc3noc(-c4ccccc4C)n3)C2)c1 ZINC000582495247 1026432884 /nfs/dbraw/zinc/43/28/84/1026432884.db2.gz BWBKDZNFQMWARG-INIZCTEOSA-N 1 2 334.423 3.738 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+](Cc3noc(-c4ccccc4C)n3)C2)c1 ZINC000582495247 1026432890 /nfs/dbraw/zinc/43/28/90/1026432890.db2.gz BWBKDZNFQMWARG-INIZCTEOSA-N 1 2 334.423 3.738 20 0 EHADLO Cc1cccn2cc(CC(=O)N3c4ccccc4SC[C@@H]3C)[nH+]c12 ZINC000530948484 1026440408 /nfs/dbraw/zinc/44/04/08/1026440408.db2.gz KAKIBUJRGURQDB-AWEZNQCLSA-N 1 2 337.448 3.713 20 0 EHADLO C[C@H](Cc1nc(CCc2c(F)cccc2Cl)no1)n1cc[nH+]c1 ZINC000897180443 1026456321 /nfs/dbraw/zinc/45/63/21/1026456321.db2.gz VQMHBRVVFDYULJ-LLVKDONJSA-N 1 2 334.782 3.648 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OCC3CCCCC3)CC2)c(C)n1C ZINC000531016845 1026485454 /nfs/dbraw/zinc/48/54/54/1026485454.db2.gz LBOPYEFPGZOTQB-UHFFFAOYSA-N 1 2 346.515 3.886 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000546657610 1026503399 /nfs/dbraw/zinc/50/33/99/1026503399.db2.gz GAWQVEWBWAYTAS-MRXNPFEDSA-N 1 2 345.512 3.811 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)cc1 ZINC000657452228 1026513100 /nfs/dbraw/zinc/51/31/00/1026513100.db2.gz BJJUKOWUCDEARF-NRFANRHFSA-N 1 2 332.451 3.876 20 0 EHADLO Cc1ccsc1CNc1cc(NCc2sccc2C)[nH+]cn1 ZINC000475361293 1026520710 /nfs/dbraw/zinc/52/07/10/1026520710.db2.gz MWAFOWRVFIGCIT-UHFFFAOYSA-N 1 2 330.482 3.863 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cc1noc(C2CCOCC2)n1 ZINC000113266776 1026541911 /nfs/dbraw/zinc/54/19/11/1026541911.db2.gz KNFOFRCLPHTTTI-UHFFFAOYSA-N 1 2 347.434 3.557 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cc1noc(C2CCOCC2)n1 ZINC000113266776 1026541914 /nfs/dbraw/zinc/54/19/14/1026541914.db2.gz KNFOFRCLPHTTTI-UHFFFAOYSA-N 1 2 347.434 3.557 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cnc2ccsc2c1 ZINC000152693677 1026544576 /nfs/dbraw/zinc/54/45/76/1026544576.db2.gz OVCHZKBKOKVZHV-ZDUSSCGKSA-N 1 2 335.436 3.728 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccoc1 ZINC000342646184 1026558030 /nfs/dbraw/zinc/55/80/30/1026558030.db2.gz TYEZXWJXMXYMMW-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccoc1 ZINC000342646184 1026558038 /nfs/dbraw/zinc/55/80/38/1026558038.db2.gz TYEZXWJXMXYMMW-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(-c3scnc3C)cc2)n1 ZINC000657460214 1026561118 /nfs/dbraw/zinc/56/11/18/1026561118.db2.gz UXZPCUQHBPWDTA-UHFFFAOYSA-N 1 2 328.441 3.835 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000475411311 1026576324 /nfs/dbraw/zinc/57/63/24/1026576324.db2.gz HAHSUDAUZSUJKR-QAPCUYQASA-N 1 2 330.472 3.845 20 0 EHADLO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000277699954 1026609790 /nfs/dbraw/zinc/60/97/90/1026609790.db2.gz HRBDUMGGNWKFQQ-INIZCTEOSA-N 1 2 345.270 3.559 20 0 EHADLO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000277699954 1026609798 /nfs/dbraw/zinc/60/97/98/1026609798.db2.gz HRBDUMGGNWKFQQ-INIZCTEOSA-N 1 2 345.270 3.559 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC3CC(c4ccccc4)C3)[nH+]c12 ZINC000684919572 1026613934 /nfs/dbraw/zinc/61/39/34/1026613934.db2.gz UTJKEKYDRXYJIH-UHFFFAOYSA-N 1 2 347.462 3.885 20 0 EHADLO COc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C ZINC000475436231 1026627806 /nfs/dbraw/zinc/62/78/06/1026627806.db2.gz ZHWIIXAAQARETK-IYBDPMFKSA-N 1 2 341.455 3.624 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cccc(F)c2OC(F)F)o1 ZINC000657473140 1026629507 /nfs/dbraw/zinc/62/95/07/1026629507.db2.gz DYORPOPUNQXWMC-UHFFFAOYSA-N 1 2 328.334 3.966 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000168014945 1026648231 /nfs/dbraw/zinc/64/82/31/1026648231.db2.gz NMGFWCINKJHUKV-CJNGLKHVSA-N 1 2 345.466 3.792 20 0 EHADLO Cc1cn2cc(NC(=O)N(C[C@H]3CCCO3)C3CCCC3)ccc2[nH+]1 ZINC000531184197 1026655347 /nfs/dbraw/zinc/65/53/47/1026655347.db2.gz XMNHMGNIYBBZRE-QGZVFWFLSA-N 1 2 342.443 3.598 20 0 EHADLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Cl)s1 ZINC000105020644 1026658835 /nfs/dbraw/zinc/65/88/35/1026658835.db2.gz KPIBRPSDSCOTLG-UHFFFAOYSA-N 1 2 326.893 3.840 20 0 EHADLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Cl)s1 ZINC000105020644 1026658851 /nfs/dbraw/zinc/65/88/51/1026658851.db2.gz KPIBRPSDSCOTLG-UHFFFAOYSA-N 1 2 326.893 3.840 20 0 EHADLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(Br)cc1 ZINC000452330785 1026662908 /nfs/dbraw/zinc/66/29/08/1026662908.db2.gz AYKNBEZSEDNFAE-LLVKDONJSA-N 1 2 348.244 3.724 20 0 EHADLO O=C(CCc1cccc(Br)c1)Nc1c[nH+]c2n1CCCC2 ZINC000452330800 1026663059 /nfs/dbraw/zinc/66/30/59/1026663059.db2.gz BAWFXLKHPTXWSR-UHFFFAOYSA-N 1 2 348.244 3.553 20 0 EHADLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000452334488 1026667735 /nfs/dbraw/zinc/66/77/35/1026667735.db2.gz UVGPPWJOQVPFDQ-LLVKDONJSA-N 1 2 337.345 3.980 20 0 EHADLO Cc1cc(NCc2ccnc(OCC(F)(F)F)c2)nc(C(C)C)[nH+]1 ZINC000301107170 1026687387 /nfs/dbraw/zinc/68/73/87/1026687387.db2.gz NMZXIYPUEQVMSL-UHFFFAOYSA-N 1 2 340.349 3.857 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665646532 1026723079 /nfs/dbraw/zinc/72/30/79/1026723079.db2.gz UWSMIZRZGAWGGI-DOTOQJQBSA-N 1 2 331.847 3.769 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000665646461 1026723946 /nfs/dbraw/zinc/72/39/46/1026723946.db2.gz NDDPLSANNSFTNX-HLLBOEOZSA-N 1 2 343.858 3.551 20 0 EHADLO FC(F)COc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301222837 1026727888 /nfs/dbraw/zinc/72/78/88/1026727888.db2.gz BOGPSFYWAMXVOG-UHFFFAOYSA-N 1 2 348.397 3.723 20 0 EHADLO FC(F)COc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301222837 1026727894 /nfs/dbraw/zinc/72/78/94/1026727894.db2.gz BOGPSFYWAMXVOG-UHFFFAOYSA-N 1 2 348.397 3.723 20 0 EHADLO Brc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000301344928 1026770068 /nfs/dbraw/zinc/77/00/68/1026770068.db2.gz GJNPKPUFCHBTNW-UHFFFAOYSA-N 1 2 343.228 3.701 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000301499696 1026829265 /nfs/dbraw/zinc/82/92/65/1026829265.db2.gz WIHOYVDLQGULOT-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375724430 1026839737 /nfs/dbraw/zinc/83/97/37/1026839737.db2.gz LDOFHVKSTWINNI-AWEZNQCLSA-N 1 2 344.484 3.695 20 0 EHADLO Cc1cc[nH+]c(NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000301622564 1026879449 /nfs/dbraw/zinc/87/94/49/1026879449.db2.gz DYCWGCGLPKCPAG-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1cc(CNC(=O)CCOc2ccc(F)c(Cl)c2)cc(C)[nH+]1 ZINC000582659680 1026883817 /nfs/dbraw/zinc/88/38/17/1026883817.db2.gz WCFQGYFGOMMZCJ-UHFFFAOYSA-N 1 2 336.794 3.576 20 0 EHADLO Cc1cc(Nc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)n2ncnc2n1 ZINC000301658693 1026889697 /nfs/dbraw/zinc/88/96/97/1026889697.db2.gz WITUGLRXVJSYKP-HNNXBMFYSA-N 1 2 336.443 3.864 20 0 EHADLO Cc1cc(Nc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)n2ncnc2n1 ZINC000301658693 1026889706 /nfs/dbraw/zinc/88/97/06/1026889706.db2.gz WITUGLRXVJSYKP-HNNXBMFYSA-N 1 2 336.443 3.864 20 0 EHADLO Cc1ccc2c(CCC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c[nH]c2c1 ZINC000531435239 1026909735 /nfs/dbraw/zinc/90/97/35/1026909735.db2.gz USBWAYPHBJUSFA-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1ccc2c(CCC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c[nH]c2c1 ZINC000531435239 1026909739 /nfs/dbraw/zinc/90/97/39/1026909739.db2.gz USBWAYPHBJUSFA-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO CC(C)(C)c1nnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000301709073 1026910320 /nfs/dbraw/zinc/91/03/20/1026910320.db2.gz CSMSIEGAYRFTCN-UHFFFAOYSA-N 1 2 331.420 3.773 20 0 EHADLO CC(C)CCc1nc(C[NH2+][C@@]2(CO)CCc3ccccc32)cs1 ZINC000305720047 1026926485 /nfs/dbraw/zinc/92/64/85/1026926485.db2.gz JISXZFLAUGPUSG-LJQANCHMSA-N 1 2 330.497 3.655 20 0 EHADLO FC(F)c1nc2ccccc2c(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000301787286 1026938624 /nfs/dbraw/zinc/93/86/24/1026938624.db2.gz WVSJNHIHNOUQBA-GFCCVEGCSA-N 1 2 341.365 3.653 20 0 EHADLO C[C@H]1CCN(C(=O)CC2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000626092638 1026940814 /nfs/dbraw/zinc/94/08/14/1026940814.db2.gz BBPJHUPFGFJZRD-DZGCQCFKSA-N 1 2 325.403 3.508 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ncc1Br ZINC000301803057 1026944588 /nfs/dbraw/zinc/94/45/88/1026944588.db2.gz ALUAQTMUTHOSGD-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO Cc1nc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)c(C)[nH+]1 ZINC000301820665 1026951082 /nfs/dbraw/zinc/95/10/82/1026951082.db2.gz BCCCRQRDRWTIBB-INIZCTEOSA-N 1 2 349.381 3.581 20 0 EHADLO CC(C)c1cc(N[C@@H](C)C(=O)N2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301826102 1026954557 /nfs/dbraw/zinc/95/45/57/1026954557.db2.gz OXABMGKKWUVQHB-CABCVRRESA-N 1 2 332.492 3.925 20 0 EHADLO CC(C)C(=O)Nc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301834079 1026957604 /nfs/dbraw/zinc/95/76/04/1026957604.db2.gz SOLTWVSGRGZDGL-UHFFFAOYSA-N 1 2 339.443 3.505 20 0 EHADLO CC(C)C(=O)Nc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301834079 1026957613 /nfs/dbraw/zinc/95/76/13/1026957613.db2.gz SOLTWVSGRGZDGL-UHFFFAOYSA-N 1 2 339.443 3.505 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(C)n1C ZINC000531493210 1026969682 /nfs/dbraw/zinc/96/96/82/1026969682.db2.gz GPINTBPCBUHVMC-GOSISDBHSA-N 1 2 328.481 3.615 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c(C)n1C ZINC000531493210 1026969690 /nfs/dbraw/zinc/96/96/90/1026969690.db2.gz GPINTBPCBUHVMC-GOSISDBHSA-N 1 2 328.481 3.615 20 0 EHADLO CC(C)c1cc(N2CCN(c3cccc(O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000301877526 1026977054 /nfs/dbraw/zinc/97/70/54/1026977054.db2.gz NPGWDPAYWWCFTJ-UHFFFAOYSA-N 1 2 340.471 3.756 20 0 EHADLO Nc1nc(NCc2ccc(Br)cc2F)[nH+]c2ccccc12 ZINC000301890837 1026981276 /nfs/dbraw/zinc/98/12/76/1026981276.db2.gz LTBNHHFGTHCPFM-UHFFFAOYSA-N 1 2 347.191 3.726 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153058653 1026981908 /nfs/dbraw/zinc/98/19/08/1026981908.db2.gz SLEXYFUVASYICL-RTBURBONSA-N 1 2 339.483 3.624 20 0 EHADLO COc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1Cl ZINC000301934008 1026999669 /nfs/dbraw/zinc/99/96/69/1026999669.db2.gz QCYHEPHQCLNUES-UHFFFAOYSA-N 1 2 345.834 3.855 20 0 EHADLO Clc1ccc([C@H]2OCC[C@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301976569 1027012684 /nfs/dbraw/zinc/01/26/84/1027012684.db2.gz CNVNWEKBYDZVEE-CRAIPNDOSA-N 1 2 344.846 3.894 20 0 EHADLO Clc1ccc([C@H]2OCC[C@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301976569 1027012693 /nfs/dbraw/zinc/01/26/93/1027012693.db2.gz CNVNWEKBYDZVEE-CRAIPNDOSA-N 1 2 344.846 3.894 20 0 EHADLO COC(=O)NCc1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1 ZINC000892285901 1027013194 /nfs/dbraw/zinc/01/31/94/1027013194.db2.gz ZMAKPBSEVHUVPK-UHFFFAOYSA-N 1 2 339.439 3.737 20 0 EHADLO CC[N@H+](CC(=O)NC[C@H]1CCCC1(F)F)Cc1ccccc1Cl ZINC000452811521 1027017051 /nfs/dbraw/zinc/01/70/51/1027017051.db2.gz FXVZRWTZLOQMEH-CQSZACIVSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@H]1CCCC1(F)F)Cc1ccccc1Cl ZINC000452811521 1027017059 /nfs/dbraw/zinc/01/70/59/1027017059.db2.gz FXVZRWTZLOQMEH-CQSZACIVSA-N 1 2 344.833 3.714 20 0 EHADLO CCc1nc(N(Cc2ccccc2OC)C[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000342783017 1027031775 /nfs/dbraw/zinc/03/17/75/1027031775.db2.gz QBFLPSVDMYMKDS-KRWDZBQOSA-N 1 2 341.455 3.542 20 0 EHADLO Cc1nc2c(c(NCc3ccc(Cn4cc[nH+]c4)cc3)n1)CCCC2 ZINC000302048883 1027034158 /nfs/dbraw/zinc/03/41/58/1027034158.db2.gz MLXDMYYVCPICIO-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO Cc1nc(N[C@H](c2nnc3ccccn32)C(C)C)c2c([nH+]1)CCCC2 ZINC000302062505 1027040171 /nfs/dbraw/zinc/04/01/71/1027040171.db2.gz BYCCXCHVHSMORV-KRWDZBQOSA-N 1 2 336.443 3.516 20 0 EHADLO Cc1nc(N[C@H](C)c2noc(-c3ccccc3)n2)c2c([nH+]1)CCCC2 ZINC000302116061 1027057932 /nfs/dbraw/zinc/05/79/32/1027057932.db2.gz WDAGYLKNYMKAQZ-GFCCVEGCSA-N 1 2 335.411 3.887 20 0 EHADLO Cc1nc(N2CCO[C@@H](CCc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302153642 1027072178 /nfs/dbraw/zinc/07/21/78/1027072178.db2.gz VDNLJYJEBVWNIP-SFHVURJKSA-N 1 2 337.467 3.502 20 0 EHADLO CC(C)Cc1nsc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000302239413 1027105451 /nfs/dbraw/zinc/10/54/51/1027105451.db2.gz ARWOMWRUWCLAIL-ZDUSSCGKSA-N 1 2 340.443 3.730 20 0 EHADLO CC(C)Cc1nsc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000302251214 1027109967 /nfs/dbraw/zinc/10/99/67/1027109967.db2.gz WWRWPNAVYQXVPY-UHFFFAOYSA-N 1 2 331.420 3.674 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000125720562 1027117746 /nfs/dbraw/zinc/11/77/46/1027117746.db2.gz CGAJGPIBCNMVDD-PBHICJAKSA-N 1 2 343.858 3.678 20 0 EHADLO Cc1nc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272834696 1027138365 /nfs/dbraw/zinc/13/83/65/1027138365.db2.gz HLEXXBDHJMRUHM-YEBMWUKDSA-N 1 2 343.496 3.599 20 0 EHADLO CCSc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)ccn1 ZINC000302418577 1027145809 /nfs/dbraw/zinc/14/58/09/1027145809.db2.gz MOWPKYIFRHYOMY-UHFFFAOYSA-N 1 2 342.472 3.700 20 0 EHADLO CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272846519 1027146696 /nfs/dbraw/zinc/14/66/96/1027146696.db2.gz ZISRHDRLDDILJD-KBXCAEBGSA-N 1 2 345.418 3.791 20 0 EHADLO O=C(c1cc(Cl)cc2cccnc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532394 1027146746 /nfs/dbraw/zinc/14/67/46/1027146746.db2.gz PFIAVPOQELZYFH-ZDUSSCGKSA-N 1 2 340.814 3.631 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1OC ZINC000430037309 1027167429 /nfs/dbraw/zinc/16/74/29/1027167429.db2.gz SCALTDGHKZYJMZ-UHFFFAOYSA-N 1 2 343.320 3.940 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556322 1027170624 /nfs/dbraw/zinc/17/06/24/1027170624.db2.gz HGWYIOKCQSSSGC-CYBMUJFWSA-N 1 2 349.887 3.952 20 0 EHADLO COc1cccc2c(N(C)Cc3ccc([S@@](C)=O)cc3)cc[nH+]c12 ZINC000302536991 1027183771 /nfs/dbraw/zinc/18/37/71/1027183771.db2.gz MUCACQWPOKNDLR-XMMPIXPASA-N 1 2 340.448 3.617 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342802881 1027190103 /nfs/dbraw/zinc/19/01/03/1027190103.db2.gz RMRBSDGOHLGFJU-XLIONFOSSA-N 1 2 325.456 3.970 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126367354 1027194618 /nfs/dbraw/zinc/19/46/18/1027194618.db2.gz WDSDYFRYPBLRFN-GFCCVEGCSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126367354 1027194632 /nfs/dbraw/zinc/19/46/32/1027194632.db2.gz WDSDYFRYPBLRFN-GFCCVEGCSA-N 1 2 327.211 3.943 20 0 EHADLO CO[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[C@@H]1C ZINC000302567818 1027198661 /nfs/dbraw/zinc/19/86/61/1027198661.db2.gz PHDSBXVFZPOCSZ-XHDPSFHLSA-N 1 2 335.245 3.859 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900511 1027207320 /nfs/dbraw/zinc/20/73/20/1027207320.db2.gz SYOAZHKVIYUCCJ-GXFFZTMASA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900511 1027207330 /nfs/dbraw/zinc/20/73/30/1027207330.db2.gz SYOAZHKVIYUCCJ-GXFFZTMASA-N 1 2 343.324 3.897 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959882 1027213629 /nfs/dbraw/zinc/21/36/29/1027213629.db2.gz CBUFBLVSMNRJPD-NSHDSACASA-N 1 2 338.333 3.840 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959759 1027213720 /nfs/dbraw/zinc/21/37/20/1027213720.db2.gz JNTWVIJRQUQKKM-GFCCVEGCSA-N 1 2 348.834 3.792 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076052536 1027231220 /nfs/dbraw/zinc/23/12/20/1027231220.db2.gz LDGMZUBAKUWTER-DLBZAZTESA-N 1 2 326.444 3.840 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076093845 1027238122 /nfs/dbraw/zinc/23/81/22/1027238122.db2.gz FTEUOZVNPBCOFL-QZTJIDSGSA-N 1 2 340.471 3.710 20 0 EHADLO CCC[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(OC)cc1 ZINC000531713828 1027241268 /nfs/dbraw/zinc/24/12/68/1027241268.db2.gz JTUPSFGVRMEYTM-AWEZNQCLSA-N 1 2 338.249 3.812 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCc4c(O)cccc43)[nH+]cn2)C1 ZINC000302695971 1027244034 /nfs/dbraw/zinc/24/40/34/1027244034.db2.gz GPWRBZIVNWSGGY-PBHICJAKSA-N 1 2 338.455 3.908 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCc4c(O)cccc43)nc[nH+]2)C1 ZINC000302695971 1027244037 /nfs/dbraw/zinc/24/40/37/1027244037.db2.gz GPWRBZIVNWSGGY-PBHICJAKSA-N 1 2 338.455 3.908 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2(CCC2)CO1 ZINC000639731123 1027253050 /nfs/dbraw/zinc/25/30/50/1027253050.db2.gz PVFFFBFUCLDMPJ-MCIONIFRSA-N 1 2 333.394 3.568 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2(CCC2)CO1 ZINC000639731123 1027253065 /nfs/dbraw/zinc/25/30/65/1027253065.db2.gz PVFFFBFUCLDMPJ-MCIONIFRSA-N 1 2 333.394 3.568 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccnn1C1CCCC1 ZINC000453046613 1027258831 /nfs/dbraw/zinc/25/88/31/1027258831.db2.gz GALLVMQDPKAWCW-UHFFFAOYSA-N 1 2 327.407 3.541 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1)c1ccc2ccccc2c1 ZINC000501410893 1027266836 /nfs/dbraw/zinc/26/68/36/1027266836.db2.gz NXSJGSPWZSMDPS-AUSJPIAWSA-N 1 2 328.431 3.839 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1)c1ccc2ccccc2c1 ZINC000501410893 1027266850 /nfs/dbraw/zinc/26/68/50/1027266850.db2.gz NXSJGSPWZSMDPS-AUSJPIAWSA-N 1 2 328.431 3.839 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000127147939 1027278911 /nfs/dbraw/zinc/27/89/11/1027278911.db2.gz JXBXVEGCADDWLJ-HNNXBMFYSA-N 1 2 333.501 3.637 20 0 EHADLO O=S(=O)(c1cccc(F)c1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127375651 1027302117 /nfs/dbraw/zinc/30/21/17/1027302117.db2.gz LAUSVJMNEDWGJG-UHFFFAOYSA-N 1 2 342.395 3.616 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000728517542 1027303673 /nfs/dbraw/zinc/30/36/73/1027303673.db2.gz SHHNRESGJIKRBI-UHFFFAOYSA-N 1 2 343.374 3.655 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](CC)c2ccccc2OC(F)F)s1 ZINC000273216190 1027315285 /nfs/dbraw/zinc/31/52/85/1027315285.db2.gz UNYDUGVMLMXDFO-NSHDSACASA-N 1 2 327.400 3.943 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302850680 1027325998 /nfs/dbraw/zinc/32/59/98/1027325998.db2.gz PTCCYBOUGNIMMD-SJORKVTESA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302850680 1027326014 /nfs/dbraw/zinc/32/60/14/1027326014.db2.gz PTCCYBOUGNIMMD-SJORKVTESA-N 1 2 340.471 3.618 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccco1 ZINC000273235754 1027326860 /nfs/dbraw/zinc/32/68/60/1027326860.db2.gz GRGLEILJKPAEKH-MRXNPFEDSA-N 1 2 347.365 3.611 20 0 EHADLO Cc1nc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c(C)[nH+]1 ZINC000302858675 1027329395 /nfs/dbraw/zinc/32/93/95/1027329395.db2.gz NRIAASRUGXTXLT-UHFFFAOYSA-N 1 2 327.403 3.640 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1C ZINC000302873305 1027336991 /nfs/dbraw/zinc/33/69/91/1027336991.db2.gz CPMKKYUVFIMPEI-IRXDYDNUSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1C ZINC000302873305 1027337013 /nfs/dbraw/zinc/33/70/13/1027337013.db2.gz CPMKKYUVFIMPEI-IRXDYDNUSA-N 1 2 340.471 3.618 20 0 EHADLO c1nc(N2CCSCC2)cc(N2CCCC3(CCCCC3)C2)[nH+]1 ZINC000302915945 1027362646 /nfs/dbraw/zinc/36/26/46/1027362646.db2.gz VYDCVZJWNYKFGV-UHFFFAOYSA-N 1 2 332.517 3.581 20 0 EHADLO c1nc(N2CCCC3(CCCCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000302915945 1027362664 /nfs/dbraw/zinc/36/26/64/1027362664.db2.gz VYDCVZJWNYKFGV-UHFFFAOYSA-N 1 2 332.517 3.581 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000302920700 1027364313 /nfs/dbraw/zinc/36/43/13/1027364313.db2.gz ZLUIIJJWODSCBF-SJLPKXTDSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000302920700 1027364323 /nfs/dbraw/zinc/36/43/23/1027364323.db2.gz ZLUIIJJWODSCBF-SJLPKXTDSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000302920699 1027365606 /nfs/dbraw/zinc/36/56/06/1027365606.db2.gz ZLUIIJJWODSCBF-FUHWJXTLSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000302920699 1027365624 /nfs/dbraw/zinc/36/56/24/1027365624.db2.gz ZLUIIJJWODSCBF-FUHWJXTLSA-N 1 2 340.471 3.618 20 0 EHADLO O=C(Nc1cccc(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045952306 1027372204 /nfs/dbraw/zinc/37/22/04/1027372204.db2.gz JMZMYZUEKJSAHO-UHFFFAOYSA-N 1 2 330.819 3.526 20 0 EHADLO CSc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045985319 1027374697 /nfs/dbraw/zinc/37/46/97/1027374697.db2.gz KUYQKSJUDZVDLL-UHFFFAOYSA-N 1 2 342.468 3.594 20 0 EHADLO COc1cccc(F)c1CNc1ccc(C)cc1C[NH+]1CCOCC1 ZINC001167608415 1027374801 /nfs/dbraw/zinc/37/48/01/1027374801.db2.gz KQZKDMYKNWIWBK-UHFFFAOYSA-N 1 2 344.430 3.587 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)cs1 ZINC000453111610 1027381254 /nfs/dbraw/zinc/38/12/54/1027381254.db2.gz PCRAZFNUXZAQCA-ZDUSSCGKSA-N 1 2 326.469 3.957 20 0 EHADLO CCc1nc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)sc1C ZINC000077223013 1027405482 /nfs/dbraw/zinc/40/54/82/1027405482.db2.gz YSDCEJSLZDBRKW-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103306653 1027418972 /nfs/dbraw/zinc/41/89/72/1027418972.db2.gz KPKJTRVXCIOHFD-MSOLQXFVSA-N 1 2 344.503 3.564 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[nH]1 ZINC000453179077 1027496060 /nfs/dbraw/zinc/49/60/60/1027496060.db2.gz PDDOMFUHXYLGLL-KBPBESRZSA-N 1 2 338.459 3.740 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000536574699 1027500259 /nfs/dbraw/zinc/50/02/59/1027500259.db2.gz ZIYWRFYLHMLQOB-LBPRGKRZSA-N 1 2 333.229 3.625 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975130 1027506822 /nfs/dbraw/zinc/50/68/22/1027506822.db2.gz XMARNRSYDFFHLN-INIZCTEOSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975130 1027506829 /nfs/dbraw/zinc/50/68/29/1027506829.db2.gz XMARNRSYDFFHLN-INIZCTEOSA-N 1 2 349.356 3.704 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575567 1027509233 /nfs/dbraw/zinc/50/92/33/1027509233.db2.gz URDSYTACNPWJIE-UHFFFAOYSA-N 1 2 329.450 3.866 20 0 EHADLO FC(F)(F)c1ccc2nnc([C@H]3CCCN(c4cccc[nH+]4)C3)n2c1 ZINC000078227542 1027521627 /nfs/dbraw/zinc/52/16/27/1027521627.db2.gz BYXPCEVJZCEFKB-LBPRGKRZSA-N 1 2 347.344 3.527 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(Br)c1 ZINC000501791897 1027538290 /nfs/dbraw/zinc/53/82/90/1027538290.db2.gz HRTXYKIQMSWZDY-CHWSQXEVSA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(Br)c1 ZINC000501791897 1027538304 /nfs/dbraw/zinc/53/83/04/1027538304.db2.gz HRTXYKIQMSWZDY-CHWSQXEVSA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc([C@H](c2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495181 1027563577 /nfs/dbraw/zinc/56/35/77/1027563577.db2.gz BKZRDJHFMNHARD-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccc([C@H](c2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495181 1027563600 /nfs/dbraw/zinc/56/36/00/1027563600.db2.gz BKZRDJHFMNHARD-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccccc1[C@@H](c1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497670 1027566596 /nfs/dbraw/zinc/56/65/96/1027566596.db2.gz KQEOSNHFKMXUBV-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccccc1[C@@H](c1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497670 1027566613 /nfs/dbraw/zinc/56/66/13/1027566613.db2.gz KQEOSNHFKMXUBV-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434187916 1027598174 /nfs/dbraw/zinc/59/81/74/1027598174.db2.gz DGADOWCFSSJJQX-QFBILLFUSA-N 1 2 345.487 3.993 20 0 EHADLO Cc1[nH]c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[nH+]c1C ZINC000628153004 1027615222 /nfs/dbraw/zinc/61/52/22/1027615222.db2.gz WVBBPVMPVCMEMH-NXEZZACHSA-N 1 2 329.288 3.589 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(OC(F)F)cc1 ZINC000048812290 1027630059 /nfs/dbraw/zinc/63/00/59/1027630059.db2.gz JZIVNHMMWVGZBK-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(OC(F)F)cc1 ZINC000048812290 1027630063 /nfs/dbraw/zinc/63/00/63/1027630063.db2.gz JZIVNHMMWVGZBK-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)cc(C)[nH+]1 ZINC000422217182 1027653856 /nfs/dbraw/zinc/65/38/56/1027653856.db2.gz WFYUAPKUSONIAA-UHFFFAOYSA-N 1 2 345.393 3.851 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130316680 1027657016 /nfs/dbraw/zinc/65/70/16/1027657016.db2.gz JGNFROAQHSLKNA-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1Cl ZINC000130316222 1027657372 /nfs/dbraw/zinc/65/73/72/1027657372.db2.gz WBZHCYGSLYLSNO-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000422269618 1027677793 /nfs/dbraw/zinc/67/77/93/1027677793.db2.gz VOBZASZAGUCDMY-GJZGRUSLSA-N 1 2 348.397 3.695 20 0 EHADLO C[NH2+]Cc1noc(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000414646375 1027685444 /nfs/dbraw/zinc/68/54/44/1027685444.db2.gz RLAOPNSTUXWWLT-UHFFFAOYSA-N 1 2 345.487 3.875 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000130957161 1027720853 /nfs/dbraw/zinc/72/08/53/1027720853.db2.gz ZTDKMSJKFXVOFG-KAMYIIQDSA-N 1 2 343.858 3.635 20 0 EHADLO Cc1cc(CNC(=O)NCC(C)(C)c2ccccc2F)cc(C)[nH+]1 ZINC000420776971 1027722679 /nfs/dbraw/zinc/72/26/79/1027722679.db2.gz GHKZPSYDEBIYFF-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccsc1 ZINC000888981911 1027749897 /nfs/dbraw/zinc/74/98/97/1027749897.db2.gz YMLYQHBPNVBYEF-FVQBIDKESA-N 1 2 344.484 3.927 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C(=O)C4CC4)C3)s2)cc1 ZINC000564692262 1027759825 /nfs/dbraw/zinc/75/98/25/1027759825.db2.gz DAMJBHDMADOJDK-GOSISDBHSA-N 1 2 341.476 3.903 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C(=O)C4CC4)C3)s2)cc1 ZINC000564692262 1027759845 /nfs/dbraw/zinc/75/98/45/1027759845.db2.gz DAMJBHDMADOJDK-GOSISDBHSA-N 1 2 341.476 3.903 20 0 EHADLO Cc1cc(Br)c(C[N@H+]2CCCc3c(cnn3C)C2)s1 ZINC000414474651 1027778779 /nfs/dbraw/zinc/77/87/79/1027778779.db2.gz DZHODBSVPPABRW-UHFFFAOYSA-N 1 2 340.290 3.501 20 0 EHADLO Cc1cc(Br)c(C[N@@H+]2CCCc3c(cnn3C)C2)s1 ZINC000414474651 1027778793 /nfs/dbraw/zinc/77/87/93/1027778793.db2.gz DZHODBSVPPABRW-UHFFFAOYSA-N 1 2 340.290 3.501 20 0 EHADLO CC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1nc2ccccc2[nH]1 ZINC000420844299 1027787298 /nfs/dbraw/zinc/78/72/98/1027787298.db2.gz GKPLUYKAPKINLQ-HNNXBMFYSA-N 1 2 337.427 3.525 20 0 EHADLO Cc1ccc(-c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n[nH]2)s1 ZINC000342872662 1027803043 /nfs/dbraw/zinc/80/30/43/1027803043.db2.gz OICOJQXWGSOAPL-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)no1 ZINC000503527440 1027844788 /nfs/dbraw/zinc/84/47/88/1027844788.db2.gz YZWAXXSCZXSDFL-CVEARBPZSA-N 1 2 329.444 3.595 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3cc(C)ccc3C)CC2)o1 ZINC000110108169 1027855883 /nfs/dbraw/zinc/85/58/83/1027855883.db2.gz QTJCQSWPRUBEEF-OAHLLOKOSA-N 1 2 329.444 3.853 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)cs1 ZINC000894275373 1027901469 /nfs/dbraw/zinc/90/14/69/1027901469.db2.gz GGZCHQVRIIOPBZ-NSHDSACASA-N 1 2 335.473 3.794 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1OC ZINC000420931732 1027907856 /nfs/dbraw/zinc/90/78/56/1027907856.db2.gz GWQAQGUEJSZPLN-GFCCVEGCSA-N 1 2 337.851 3.722 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420947720 1027911026 /nfs/dbraw/zinc/91/10/26/1027911026.db2.gz OQXPSTFKVXXOAU-KRWDZBQOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420947720 1027911042 /nfs/dbraw/zinc/91/10/42/1027911042.db2.gz OQXPSTFKVXXOAU-KRWDZBQOSA-N 1 2 326.831 3.959 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000132459592 1027927719 /nfs/dbraw/zinc/92/77/19/1027927719.db2.gz JDBPEVUBBMMXND-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000132459592 1027927732 /nfs/dbraw/zinc/92/77/32/1027927732.db2.gz JDBPEVUBBMMXND-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO Cc1ccc2oc(C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2c1 ZINC000120174670 1027944634 /nfs/dbraw/zinc/94/46/34/1027944634.db2.gz FPAIODCNSWRVCH-OAHLLOKOSA-N 1 2 337.423 3.570 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCC(F)(F)F ZINC000533493070 1027954701 /nfs/dbraw/zinc/95/47/01/1027954701.db2.gz WBPJPWFKKLUMND-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCC(F)(F)F ZINC000533493070 1027954716 /nfs/dbraw/zinc/95/47/16/1027954716.db2.gz WBPJPWFKKLUMND-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)c1C ZINC000533516534 1028001155 /nfs/dbraw/zinc/00/11/55/1028001155.db2.gz RMMJKOIPZKZLCM-SFHVURJKSA-N 1 2 331.456 3.730 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c1C ZINC000533516534 1028001176 /nfs/dbraw/zinc/00/11/76/1028001176.db2.gz RMMJKOIPZKZLCM-SFHVURJKSA-N 1 2 331.456 3.730 20 0 EHADLO COCc1cnc(C[NH2+]Cc2sc(C)cc2Br)s1 ZINC000657674271 1028013328 /nfs/dbraw/zinc/01/33/28/1028013328.db2.gz UPSJVJYZGUHYLO-UHFFFAOYSA-N 1 2 347.303 3.712 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533532357 1028026141 /nfs/dbraw/zinc/02/61/41/1028026141.db2.gz KCHUMFYVSVIQBG-HNNXBMFYSA-N 1 2 338.451 3.901 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533532357 1028026157 /nfs/dbraw/zinc/02/61/57/1028026157.db2.gz KCHUMFYVSVIQBG-HNNXBMFYSA-N 1 2 338.451 3.901 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH2+]C2(c3ccccc3)CCOCC2)n1 ZINC000533518470 1028034374 /nfs/dbraw/zinc/03/43/74/1028034374.db2.gz RGBYYCMBQGJNAJ-AWEZNQCLSA-N 1 2 347.484 3.679 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2cnccc2C(C)(C)C)nn1 ZINC000414496594 1028052097 /nfs/dbraw/zinc/05/20/97/1028052097.db2.gz IVMUAAYGCVMGNP-UHFFFAOYSA-N 1 2 335.455 3.558 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1O ZINC000459372582 1028059426 /nfs/dbraw/zinc/05/94/26/1028059426.db2.gz KKTOFJYRZRPCKJ-CRAIPNDOSA-N 1 2 327.424 3.753 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1O ZINC000459372582 1028059444 /nfs/dbraw/zinc/05/94/44/1028059444.db2.gz KKTOFJYRZRPCKJ-CRAIPNDOSA-N 1 2 327.424 3.753 20 0 EHADLO CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628173352 1028076721 /nfs/dbraw/zinc/07/67/21/1028076721.db2.gz SIDWSXBOMCSFAP-UHFFFAOYSA-N 1 2 334.851 3.531 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nncn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000444647700 1028111610 /nfs/dbraw/zinc/11/16/10/1028111610.db2.gz LVOABLVYUZCOHY-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000444647700 1028111615 /nfs/dbraw/zinc/11/16/15/1028111615.db2.gz LVOABLVYUZCOHY-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO CCC(CC)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367157952 1028128488 /nfs/dbraw/zinc/12/84/88/1028128488.db2.gz GLBYVYKPCYPMHY-INIZCTEOSA-N 1 2 332.492 3.545 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423020904 1028129773 /nfs/dbraw/zinc/12/97/73/1028129773.db2.gz DCPGGQBTUFTRHQ-QGZVFWFLSA-N 1 2 336.357 3.543 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052916885 1028140801 /nfs/dbraw/zinc/14/08/01/1028140801.db2.gz DPDALHNLYDUFGR-QGZVFWFLSA-N 1 2 334.510 3.624 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052916885 1028140809 /nfs/dbraw/zinc/14/08/09/1028140809.db2.gz DPDALHNLYDUFGR-QGZVFWFLSA-N 1 2 334.510 3.624 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695055 1028169866 /nfs/dbraw/zinc/16/98/66/1028169866.db2.gz RJNHAFXAKXYYEI-AWEZNQCLSA-N 1 2 344.405 3.765 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695055 1028169874 /nfs/dbraw/zinc/16/98/74/1028169874.db2.gz RJNHAFXAKXYYEI-AWEZNQCLSA-N 1 2 344.405 3.765 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC000444696311 1028172156 /nfs/dbraw/zinc/17/21/56/1028172156.db2.gz VRXNWQFQXBQUQX-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC000444696311 1028172166 /nfs/dbraw/zinc/17/21/66/1028172166.db2.gz VRXNWQFQXBQUQX-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO CC(C)(CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000454268320 1028174996 /nfs/dbraw/zinc/17/49/96/1028174996.db2.gz CUSFZTWTHJIAGC-UHFFFAOYSA-N 1 2 344.503 3.697 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)CC2=Cc3ccccc3OC2)c1C ZINC000161537589 1028176517 /nfs/dbraw/zinc/17/65/17/1028176517.db2.gz VYFFAMXBDUHRNY-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)CC2=Cc3ccccc3OC2)c1C ZINC000161537589 1028176528 /nfs/dbraw/zinc/17/65/28/1028176528.db2.gz VYFFAMXBDUHRNY-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO Clc1ccc(-c2nc(C[NH2+][C@H]3CCCn4nccc43)co2)cc1 ZINC000640216790 1028181391 /nfs/dbraw/zinc/18/13/91/1028181391.db2.gz CWPJTLMKZFNYIF-HNNXBMFYSA-N 1 2 328.803 3.816 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2ccco2)c(Br)cc1O ZINC000237171908 1028189317 /nfs/dbraw/zinc/18/93/17/1028189317.db2.gz UZXAYQNWFFQUKU-VIFPVBQESA-N 1 2 326.190 3.607 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccc3ccccc3n2)c(C)[nH+]1 ZINC000455461205 1028190075 /nfs/dbraw/zinc/19/00/75/1028190075.db2.gz BEYLITPTNGDLDY-UHFFFAOYSA-N 1 2 334.423 3.919 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712643 1028192666 /nfs/dbraw/zinc/19/26/66/1028192666.db2.gz ZSCZLHUXAUUVPQ-NWDGAFQWSA-N 1 2 331.386 3.514 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712643 1028192674 /nfs/dbraw/zinc/19/26/74/1028192674.db2.gz ZSCZLHUXAUUVPQ-NWDGAFQWSA-N 1 2 331.386 3.514 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC[C@@H]1C1CCCC1 ZINC000548779000 1028194232 /nfs/dbraw/zinc/19/42/32/1028194232.db2.gz PBWAPDFWVSTDNB-QGZVFWFLSA-N 1 2 339.443 3.513 20 0 EHADLO c1cc(CSCCCC2CCOCC2)cc(C[NH+]2CCOCC2)c1 ZINC000421214874 1028200772 /nfs/dbraw/zinc/20/07/72/1028200772.db2.gz CMPSZPSYYFKNPG-UHFFFAOYSA-N 1 2 349.540 3.959 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135553509 1028204293 /nfs/dbraw/zinc/20/42/93/1028204293.db2.gz XKIBCMUIGXUTMW-SFHVURJKSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135553509 1028204309 /nfs/dbraw/zinc/20/43/09/1028204309.db2.gz XKIBCMUIGXUTMW-SFHVURJKSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000444738196 1028204915 /nfs/dbraw/zinc/20/49/15/1028204915.db2.gz RLEHLLGMGBEGAK-INIZCTEOSA-N 1 2 328.431 3.613 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000444738196 1028204934 /nfs/dbraw/zinc/20/49/34/1028204934.db2.gz RLEHLLGMGBEGAK-INIZCTEOSA-N 1 2 328.431 3.613 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000135555686 1028204838 /nfs/dbraw/zinc/20/48/38/1028204838.db2.gz YPUKJCKXSJAFDP-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000135555686 1028204857 /nfs/dbraw/zinc/20/48/57/1028204857.db2.gz YPUKJCKXSJAFDP-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)c(C)[nH+]1 ZINC000455472117 1028205899 /nfs/dbraw/zinc/20/58/99/1028205899.db2.gz BTXWIGWDZNTXNK-CRAIPNDOSA-N 1 2 341.455 3.683 20 0 EHADLO CC(C)n1ccc(CSCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000421223214 1028208845 /nfs/dbraw/zinc/20/88/45/1028208845.db2.gz IHEZZILGLKQESC-UHFFFAOYSA-N 1 2 345.512 3.730 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444721753 1028214335 /nfs/dbraw/zinc/21/43/35/1028214335.db2.gz GBPXFRYBTYMGJP-FZMZJTMJSA-N 1 2 336.423 3.621 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444721753 1028214343 /nfs/dbraw/zinc/21/43/43/1028214343.db2.gz GBPXFRYBTYMGJP-FZMZJTMJSA-N 1 2 336.423 3.621 20 0 EHADLO CCO[C@@H]1C[C@]([NH2+]CC[C@H]2CCC[C@H](C)C2)(C(=O)OC)C1(C)C ZINC000444758954 1028221399 /nfs/dbraw/zinc/22/13/99/1028221399.db2.gz GXCICDLVIKEEBM-MKSNKDDYSA-N 1 2 325.493 3.539 20 0 EHADLO CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054682734 1028244120 /nfs/dbraw/zinc/24/41/20/1028244120.db2.gz XSFYSPUSYZBROX-KRWDZBQOSA-N 1 2 338.798 3.722 20 0 EHADLO COC(=O)C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC000455482992 1028252451 /nfs/dbraw/zinc/25/24/51/1028252451.db2.gz ITAXIQCHYARGGT-INIZCTEOSA-N 1 2 347.459 3.640 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccoc2C)C(C)C)cc1 ZINC000055054402 1028257649 /nfs/dbraw/zinc/25/76/49/1028257649.db2.gz BZXMTYYLQVTDNM-FQEVSTJZSA-N 1 2 344.455 3.542 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccoc2C)C(C)C)cc1 ZINC000055054402 1028257663 /nfs/dbraw/zinc/25/76/63/1028257663.db2.gz BZXMTYYLQVTDNM-FQEVSTJZSA-N 1 2 344.455 3.542 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC000455492864 1028263682 /nfs/dbraw/zinc/26/36/82/1028263682.db2.gz CBYBRVHPZHHIMV-TVQRCGJNSA-N 1 2 330.436 3.521 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414510354 1028269075 /nfs/dbraw/zinc/26/90/75/1028269075.db2.gz VDNWDHFEMHJJTK-UHFFFAOYSA-N 1 2 339.361 3.964 20 0 EHADLO CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423202279 1028269825 /nfs/dbraw/zinc/26/98/25/1028269825.db2.gz QOVAAMYQJWNHPI-INIZCTEOSA-N 1 2 346.377 3.832 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(OCCc3ccccc3)CC2)nn1C ZINC000421325503 1028269992 /nfs/dbraw/zinc/26/99/92/1028269992.db2.gz ZRYKFPVZLJYRDZ-UHFFFAOYSA-N 1 2 347.890 3.606 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000503974336 1028284200 /nfs/dbraw/zinc/28/42/00/1028284200.db2.gz MLESKDLREMVQGV-NSHDSACASA-N 1 2 340.311 3.946 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)C1CCCC1 ZINC000455528554 1028304970 /nfs/dbraw/zinc/30/49/70/1028304970.db2.gz WQFUVXVQMIUTDI-KRWDZBQOSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c[nH+]1 ZINC000455534743 1028309929 /nfs/dbraw/zinc/30/99/29/1028309929.db2.gz AEQSOIVIJVKLEW-BUXKBTBVSA-N 1 2 341.430 3.960 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3c(Cl)cccc3C2)c[nH+]1 ZINC000455539288 1028319271 /nfs/dbraw/zinc/31/92/71/1028319271.db2.gz DOPFBVFJNVOXBH-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1Oc1ccccc1 ZINC000548780041 1028339060 /nfs/dbraw/zinc/33/90/60/1028339060.db2.gz OFIWWUAUWKMCQS-HNNXBMFYSA-N 1 2 335.407 3.632 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2[nH+]1 ZINC000523458673 1028347944 /nfs/dbraw/zinc/34/79/44/1028347944.db2.gz RQSSSNYOBHLGHN-UHFFFAOYSA-N 1 2 343.452 3.677 20 0 EHADLO Cc1sc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nc1-c1ccccc1 ZINC000666727409 1028351395 /nfs/dbraw/zinc/35/13/95/1028351395.db2.gz HYYJVRFFNULZKV-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO CCc1nc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)sc1C ZINC000582960840 1028360996 /nfs/dbraw/zinc/36/09/96/1028360996.db2.gz WGMNQNCPLDDRBB-CQSZACIVSA-N 1 2 340.452 3.898 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1 ZINC000067715227 1028376285 /nfs/dbraw/zinc/37/62/85/1028376285.db2.gz KVCFCPZCSCKZRN-UHFFFAOYSA-N 1 2 333.432 3.953 20 0 EHADLO CCc1ccc(-c2ccc(C[NH+]3CCN(C(=O)C4CC4)CC3)o2)cc1 ZINC000536636383 1028395599 /nfs/dbraw/zinc/39/55/99/1028395599.db2.gz UKVQJFUGWKLRBZ-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000069085391 1028418819 /nfs/dbraw/zinc/41/88/19/1028418819.db2.gz FYCYNMNQQRZJCU-AWEZNQCLSA-N 1 2 325.368 3.675 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000069085391 1028418827 /nfs/dbraw/zinc/41/88/27/1028418827.db2.gz FYCYNMNQQRZJCU-AWEZNQCLSA-N 1 2 325.368 3.675 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(Cl)c(OC)cc1Cl)C2 ZINC000897333219 1028420592 /nfs/dbraw/zinc/42/05/92/1028420592.db2.gz CZLKQIMEEPSSRL-UHFFFAOYSA-N 1 2 340.254 3.777 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cnc(-c3ccccc3F)s1)C2 ZINC000897333731 1028427827 /nfs/dbraw/zinc/42/78/27/1028427827.db2.gz MGHKYFNBBRJKBB-UHFFFAOYSA-N 1 2 342.443 3.724 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ncc[nH]2)cc1 ZINC000423442173 1028432303 /nfs/dbraw/zinc/43/23/03/1028432303.db2.gz JLWIVWCBYXWYHS-LJQANCHMSA-N 1 2 336.414 3.786 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079057255 1028444220 /nfs/dbraw/zinc/44/42/20/1028444220.db2.gz HTWBOOBWUAJNCA-MRXNPFEDSA-N 1 2 346.434 3.592 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1cccs1 ZINC000070754244 1028460606 /nfs/dbraw/zinc/46/06/06/1028460606.db2.gz CPIYGEFYTTWRMC-KBXCAEBGSA-N 1 2 340.448 3.725 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@H](C)O1 ZINC000523609281 1028464734 /nfs/dbraw/zinc/46/47/34/1028464734.db2.gz DKIOQORKKMLLNG-QWHCGFSZSA-N 1 2 333.453 3.687 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@H](C)O1 ZINC000523609281 1028464747 /nfs/dbraw/zinc/46/47/47/1028464747.db2.gz DKIOQORKKMLLNG-QWHCGFSZSA-N 1 2 333.453 3.687 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000421514053 1028497866 /nfs/dbraw/zinc/49/78/66/1028497866.db2.gz KTLYIRUEIRAJOD-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2cccc(OC(C)C)c2)c[nH+]1 ZINC000455568517 1028523655 /nfs/dbraw/zinc/52/36/55/1028523655.db2.gz JNRIGMSNDXOLMK-UHFFFAOYSA-N 1 2 341.455 3.827 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3ccsc3n2)c(OC)c1 ZINC000194731398 1028543051 /nfs/dbraw/zinc/54/30/51/1028543051.db2.gz ZBLNKOBCMKAZQR-INIZCTEOSA-N 1 2 343.452 3.750 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn3ccsc3n2)c(OC)c1 ZINC000194731398 1028543066 /nfs/dbraw/zinc/54/30/66/1028543066.db2.gz ZBLNKOBCMKAZQR-INIZCTEOSA-N 1 2 343.452 3.750 20 0 EHADLO O=C(CCOc1ccccc1-c1ccccc1)NCCCn1cc[nH+]c1 ZINC000073572410 1028561130 /nfs/dbraw/zinc/56/11/30/1028561130.db2.gz YUQLUWQTWJDOTD-UHFFFAOYSA-N 1 2 349.434 3.526 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000421574848 1028567953 /nfs/dbraw/zinc/56/79/53/1028567953.db2.gz HVEDQOYEQGNFGH-KGLIPLIRSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1cc(CNC(=O)c2cc(Br)ccc2C)cc(C)[nH+]1 ZINC000421581947 1028577876 /nfs/dbraw/zinc/57/78/76/1028577876.db2.gz ZSTDHPRDHIUHPQ-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO FC(F)(F)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000195122548 1028584912 /nfs/dbraw/zinc/58/49/12/1028584912.db2.gz SHKFHNOHISWLOC-HOTGVXAUSA-N 1 2 346.356 3.830 20 0 EHADLO C[NH+](C)[C@H](CNc1cnc2ccccc2n1)c1c(F)cccc1F ZINC000523756782 1028593554 /nfs/dbraw/zinc/59/35/54/1028593554.db2.gz FPTLNAUKIQHUIF-MRXNPFEDSA-N 1 2 328.366 3.623 20 0 EHADLO C[C@H](c1nnc(SCC(F)(F)F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000074250848 1028602870 /nfs/dbraw/zinc/60/28/70/1028602870.db2.gz CMHDUAYFOVSZEQ-SECBINFHSA-N 1 2 348.369 3.683 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)c(OC)cc1Cl)C[C@H](O)C(F)(F)F ZINC000428398013 1028681660 /nfs/dbraw/zinc/68/16/60/1028681660.db2.gz GZSPNKJQWRPPKP-LBPRGKRZSA-N 1 2 346.176 3.747 20 0 EHADLO CC[N@H+](Cc1cc(Cl)c(OC)cc1Cl)C[C@H](O)C(F)(F)F ZINC000428398013 1028681663 /nfs/dbraw/zinc/68/16/63/1028681663.db2.gz GZSPNKJQWRPPKP-LBPRGKRZSA-N 1 2 346.176 3.747 20 0 EHADLO CC(C)c1cnc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000583055805 1028696239 /nfs/dbraw/zinc/69/62/39/1028696239.db2.gz YJUZKJLHUVMDNP-UHFFFAOYSA-N 1 2 340.452 3.693 20 0 EHADLO CCCOCc1ccccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454304060 1028743660 /nfs/dbraw/zinc/74/36/60/1028743660.db2.gz YSOZIGMXUJCSLA-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121557956 1028752710 /nfs/dbraw/zinc/75/27/10/1028752710.db2.gz GSKHCVIPOMHMCN-UHFFFAOYSA-N 1 2 331.725 3.974 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)c1Cl ZINC000897339225 1028756162 /nfs/dbraw/zinc/75/61/62/1028756162.db2.gz GLQUOTNCWCQVET-SECBINFHSA-N 1 2 340.254 3.821 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000421762694 1028762112 /nfs/dbraw/zinc/76/21/12/1028762112.db2.gz NUEREBKKIKURSG-OAHLLOKOSA-N 1 2 341.455 3.613 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535945 1028778406 /nfs/dbraw/zinc/77/84/06/1028778406.db2.gz LARAAINKRAEBIN-APWZRJJASA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535945 1028778424 /nfs/dbraw/zinc/77/84/24/1028778424.db2.gz LARAAINKRAEBIN-APWZRJJASA-N 1 2 325.456 3.732 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(O)cc2Cl)no1)Cc1ccccc1 ZINC000445450153 1028784862 /nfs/dbraw/zinc/78/48/62/1028784862.db2.gz RCMXRGUWVPVHFQ-UHFFFAOYSA-N 1 2 329.787 3.728 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(O)cc2Cl)no1)Cc1ccccc1 ZINC000445450153 1028784874 /nfs/dbraw/zinc/78/48/74/1028784874.db2.gz RCMXRGUWVPVHFQ-UHFFFAOYSA-N 1 2 329.787 3.728 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000247504993 1028798006 /nfs/dbraw/zinc/79/80/06/1028798006.db2.gz MBLUVZVGGVYGCZ-PBHICJAKSA-N 1 2 344.459 3.570 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000247504993 1028798019 /nfs/dbraw/zinc/79/80/19/1028798019.db2.gz MBLUVZVGGVYGCZ-PBHICJAKSA-N 1 2 344.459 3.570 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421791452 1028799288 /nfs/dbraw/zinc/79/92/88/1028799288.db2.gz IRJOMQAKEGJQAO-RPZXMPESSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421791452 1028799304 /nfs/dbraw/zinc/79/93/04/1028799304.db2.gz IRJOMQAKEGJQAO-RPZXMPESSA-N 1 2 336.838 3.531 20 0 EHADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000247850053 1028821017 /nfs/dbraw/zinc/82/10/17/1028821017.db2.gz UZJJDOXVPGYDCU-UHFFFAOYSA-N 1 2 328.460 3.627 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000445486849 1028846200 /nfs/dbraw/zinc/84/62/00/1028846200.db2.gz PRLOVCDALWIBRJ-XMMPIXPASA-N 1 2 336.460 3.728 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cncn2C(C)C)c2ccco2)cc1 ZINC000424180716 1028854105 /nfs/dbraw/zinc/85/41/05/1028854105.db2.gz PETKBGUPDNCCFD-LJQANCHMSA-N 1 2 325.412 3.945 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)CCc2ccccc2F)c1C ZINC000079835831 1028861931 /nfs/dbraw/zinc/86/19/31/1028861931.db2.gz HMBVFTXVSPUQOO-CYBMUJFWSA-N 1 2 344.430 3.731 20 0 EHADLO CC(C)n1ccnc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421845481 1028873165 /nfs/dbraw/zinc/87/31/65/1028873165.db2.gz QJNABKRWXLYMHP-UHFFFAOYSA-N 1 2 331.485 3.589 20 0 EHADLO COc1ccc(CC[C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454396045 1028879133 /nfs/dbraw/zinc/87/91/33/1028879133.db2.gz SXOQXEFOPNJXMA-OAHLLOKOSA-N 1 2 341.455 3.528 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000123315652 1028879466 /nfs/dbraw/zinc/87/94/66/1028879466.db2.gz QITWRIQDFIVULH-QXAKKESOSA-N 1 2 325.456 3.732 20 0 EHADLO F[C@@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000424223428 1028895195 /nfs/dbraw/zinc/89/51/95/1028895195.db2.gz PQRKMHXCIFFLBY-IAGOWNOFSA-N 1 2 345.418 3.565 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000445540488 1028902511 /nfs/dbraw/zinc/90/25/11/1028902511.db2.gz RWZIAHOUDWMOEN-XMMPIXPASA-N 1 2 346.402 3.659 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000583122384 1028903416 /nfs/dbraw/zinc/90/34/16/1028903416.db2.gz XLYOQNOJZUUWAP-HNNXBMFYSA-N 1 2 339.439 3.796 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502940915 1028905252 /nfs/dbraw/zinc/90/52/52/1028905252.db2.gz SIOZTEMBIABTMH-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502940915 1028905271 /nfs/dbraw/zinc/90/52/71/1028905271.db2.gz SIOZTEMBIABTMH-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO O=S(=O)(Cc1c[nH+]cn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000445553050 1028940671 /nfs/dbraw/zinc/94/06/71/1028940671.db2.gz KVFCKOJPBLSNCA-UHFFFAOYSA-N 1 2 346.839 3.559 20 0 EHADLO C[C@@H]1CCC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454473997 1028941942 /nfs/dbraw/zinc/94/19/42/1028941942.db2.gz YHFAYNCBGNTQHO-IUODEOHRSA-N 1 2 332.835 3.514 20 0 EHADLO CCCn1c(C)nnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445605250 1028969052 /nfs/dbraw/zinc/96/90/52/1028969052.db2.gz RZVJTWLNZLFTEV-UHFFFAOYSA-N 1 2 327.457 3.534 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2nccc3ccccc32)s1 ZINC000424330902 1028978154 /nfs/dbraw/zinc/97/81/54/1028978154.db2.gz RJLJYWLYYIBLIA-NEPJUHHUSA-N 1 2 341.436 3.890 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000076508073 1029006046 /nfs/dbraw/zinc/00/60/46/1029006046.db2.gz MKSOWNSMPZRZBH-IBGZPJMESA-N 1 2 345.446 3.886 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000245698896 1029034950 /nfs/dbraw/zinc/03/49/50/1029034950.db2.gz CUVZNEMWYSLBQL-CABCVRRESA-N 1 2 335.469 3.508 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000245698896 1029034962 /nfs/dbraw/zinc/03/49/62/1029034962.db2.gz CUVZNEMWYSLBQL-CABCVRRESA-N 1 2 335.469 3.508 20 0 EHADLO CN1CC[N@H+](Cc2ccc(F)c3cccnc23)[C@@H](c2ccccc2)C1 ZINC000532934614 1029099437 /nfs/dbraw/zinc/09/94/37/1029099437.db2.gz LXHLQTFFNVHBSG-HXUWFJFHSA-N 1 2 335.426 3.863 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(F)c3cccnc23)[C@@H](c2ccccc2)C1 ZINC000532934614 1029099456 /nfs/dbraw/zinc/09/94/56/1029099456.db2.gz LXHLQTFFNVHBSG-HXUWFJFHSA-N 1 2 335.426 3.863 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cccc(OC)c1OC(F)F ZINC000124076905 1029120540 /nfs/dbraw/zinc/12/05/40/1029120540.db2.gz PCWBWUMTMKQSGE-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cccc(OC)c1OC(F)F ZINC000124076905 1029120544 /nfs/dbraw/zinc/12/05/44/1029120544.db2.gz PCWBWUMTMKQSGE-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1 ZINC000503185620 1029123419 /nfs/dbraw/zinc/12/34/19/1029123419.db2.gz BVMSLJSSSOOHNI-GOSISDBHSA-N 1 2 326.371 3.958 20 0 EHADLO Cn1cnc2cc(C[N@H+](C)Cc3nc4c(s3)CCCC4)ccc21 ZINC000271751244 1029152849 /nfs/dbraw/zinc/15/28/49/1029152849.db2.gz VPMFWNBFYLXHSD-UHFFFAOYSA-N 1 2 326.469 3.541 20 0 EHADLO Cn1cnc2cc(C[N@@H+](C)Cc3nc4c(s3)CCCC4)ccc21 ZINC000271751244 1029152856 /nfs/dbraw/zinc/15/28/56/1029152856.db2.gz VPMFWNBFYLXHSD-UHFFFAOYSA-N 1 2 326.469 3.541 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C[C@H]1n1cc[nH+]c1 ZINC000124253494 1029173143 /nfs/dbraw/zinc/17/31/43/1029173143.db2.gz PUDQFFYHIKWARA-GOEBONIOSA-N 1 2 343.496 3.937 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000271807594 1029181930 /nfs/dbraw/zinc/18/19/30/1029181930.db2.gz BCPULSPOVGJRJH-ZBFHGGJFSA-N 1 2 339.439 3.640 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425281262 1029184901 /nfs/dbraw/zinc/18/49/01/1029184901.db2.gz ZNCQHCDDXOGRPP-CQSZACIVSA-N 1 2 347.344 3.687 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc2n1CCCC2 ZINC000271832163 1029191508 /nfs/dbraw/zinc/19/15/08/1029191508.db2.gz XDOSPWZAYHWMSO-INIZCTEOSA-N 1 2 328.460 3.500 20 0 EHADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000428422754 1029208705 /nfs/dbraw/zinc/20/87/05/1029208705.db2.gz RUPXPXFNTQPLTE-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000428422754 1029208721 /nfs/dbraw/zinc/20/87/21/1029208721.db2.gz RUPXPXFNTQPLTE-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000092143922 1029248786 /nfs/dbraw/zinc/24/87/86/1029248786.db2.gz OULYSLSYTAVWOK-CRAIPNDOSA-N 1 2 349.438 3.855 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c(C)c1 ZINC000533072885 1029270346 /nfs/dbraw/zinc/27/03/46/1029270346.db2.gz YWGQSYQZDZRDPW-MRXNPFEDSA-N 1 2 338.451 3.703 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)c(C)c1 ZINC000533072885 1029270362 /nfs/dbraw/zinc/27/03/62/1029270362.db2.gz YWGQSYQZDZRDPW-MRXNPFEDSA-N 1 2 338.451 3.703 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(C)cc1 ZINC000505142708 1029273961 /nfs/dbraw/zinc/27/39/61/1029273961.db2.gz NOHVQNVGMWTKFN-BHIYHBOVSA-N 1 2 337.467 3.730 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(Cl)ccc3C)[nH+]c12 ZINC000126381714 1029274950 /nfs/dbraw/zinc/27/49/50/1029274950.db2.gz GRBBWFQGHRSHTI-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO CC(C)c1oc([C@H]2CCC[N@@H+]2CC2OCCO2)nc1-c1ccccc1 ZINC000272133023 1029323594 /nfs/dbraw/zinc/32/35/94/1029323594.db2.gz VDKVWKMKFWVOGI-MRXNPFEDSA-N 1 2 342.439 3.975 20 0 EHADLO CC(C)c1oc([C@H]2CCC[N@H+]2CC2OCCO2)nc1-c1ccccc1 ZINC000272133023 1029323607 /nfs/dbraw/zinc/32/36/07/1029323607.db2.gz VDKVWKMKFWVOGI-MRXNPFEDSA-N 1 2 342.439 3.975 20 0 EHADLO Cc1cccc(-c2noc([C@@H]([NH3+])c3ccccc3Br)n2)c1 ZINC001212089099 1029390770 /nfs/dbraw/zinc/39/07/70/1029390770.db2.gz VQAYLEAFBBSWPQ-AWEZNQCLSA-N 1 2 344.212 3.856 20 0 EHADLO Cc1cc(C[NH+](CCc2cccc(F)c2)Cc2cc(C)no2)on1 ZINC000078617427 1029400294 /nfs/dbraw/zinc/40/02/94/1029400294.db2.gz LLVJWQNAHBAVOU-UHFFFAOYSA-N 1 2 329.375 3.663 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000272297248 1029403647 /nfs/dbraw/zinc/40/36/47/1029403647.db2.gz TUIKAMBDHHVMRQ-IZHWHUGBSA-N 1 2 343.496 3.982 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c[nH+]1 ZINC000454886387 1029411898 /nfs/dbraw/zinc/41/18/98/1029411898.db2.gz HBRDWZWLWYLBKR-DLBZAZTESA-N 1 2 329.831 3.707 20 0 EHADLO FC(F)(F)c1ccc(CNc2ccc[nH+]c2N2CCOCC2)s1 ZINC000428867413 1029427319 /nfs/dbraw/zinc/42/73/19/1029427319.db2.gz MZTIMAFMMVXZBS-UHFFFAOYSA-N 1 2 343.374 3.611 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000533208813 1029466640 /nfs/dbraw/zinc/46/66/40/1029466640.db2.gz PAQOZLMMSRPYPY-ILCGBQQYSA-N 1 2 341.499 3.733 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000533208813 1029466649 /nfs/dbraw/zinc/46/66/49/1029466649.db2.gz PAQOZLMMSRPYPY-ILCGBQQYSA-N 1 2 341.499 3.733 20 0 EHADLO Cc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278170341 1029468883 /nfs/dbraw/zinc/46/88/83/1029468883.db2.gz USZGGSFWFWBFTL-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278170341 1029468890 /nfs/dbraw/zinc/46/88/90/1029468890.db2.gz USZGGSFWFWBFTL-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO COc1c(Br)cc(Br)cc1C[NH+]1CCCC1 ZINC000505329870 1029476904 /nfs/dbraw/zinc/47/69/04/1029476904.db2.gz HCCQZFLTEURXSB-UHFFFAOYSA-N 1 2 349.066 3.816 20 0 EHADLO CC1(C)CC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454947409 1029488000 /nfs/dbraw/zinc/48/80/00/1029488000.db2.gz HHKIMVSWWJQPOE-OAHLLOKOSA-N 1 2 332.835 3.514 20 0 EHADLO CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272518702 1029493902 /nfs/dbraw/zinc/49/39/02/1029493902.db2.gz ZDQXLFLMAVYPEN-LJQANCHMSA-N 1 2 334.423 3.881 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533241215 1029501154 /nfs/dbraw/zinc/50/11/54/1029501154.db2.gz UAMKNIRQBVKGTB-HILYYZTDSA-N 1 2 344.474 3.904 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533241215 1029501164 /nfs/dbraw/zinc/50/11/64/1029501164.db2.gz UAMKNIRQBVKGTB-HILYYZTDSA-N 1 2 344.474 3.904 20 0 EHADLO Clc1cccc([C@H]2C[N@H+](Cc3cccc4c3NCC4)CCO2)c1 ZINC000262037008 1029553445 /nfs/dbraw/zinc/55/34/45/1029553445.db2.gz XUCYQKXXKVHMOE-GOSISDBHSA-N 1 2 328.843 3.882 20 0 EHADLO Clc1cccc([C@H]2C[N@@H+](Cc3cccc4c3NCC4)CCO2)c1 ZINC000262037008 1029553456 /nfs/dbraw/zinc/55/34/56/1029553456.db2.gz XUCYQKXXKVHMOE-GOSISDBHSA-N 1 2 328.843 3.882 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000272722482 1029580594 /nfs/dbraw/zinc/58/05/94/1029580594.db2.gz ZTSSUZARWXADTE-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000272722482 1029580598 /nfs/dbraw/zinc/58/05/98/1029580598.db2.gz ZTSSUZARWXADTE-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150892152 1029618472 /nfs/dbraw/zinc/61/84/72/1029618472.db2.gz ZTLGRJGEYUUKNN-MRXNPFEDSA-N 1 2 336.439 3.905 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C[C@H]1n1cc[nH+]c1 ZINC000125944561 1029637563 /nfs/dbraw/zinc/63/75/63/1029637563.db2.gz BOTQGCFKSNJTRC-SQWLQELKSA-N 1 2 343.496 3.793 20 0 EHADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000126024556 1029651811 /nfs/dbraw/zinc/65/18/11/1029651811.db2.gz HDHNSOQBVVGBJN-SJKOYZFVSA-N 1 2 332.831 3.616 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000079601669 1029677335 /nfs/dbraw/zinc/67/73/35/1029677335.db2.gz ZQYNGKNUWQBAQR-OAHLLOKOSA-N 1 2 349.400 3.979 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000126273136 1029692228 /nfs/dbraw/zinc/69/22/28/1029692228.db2.gz NSUVFSWZEDGYLL-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1cc(O)ccc1Br ZINC000092753840 1029721965 /nfs/dbraw/zinc/72/19/65/1029721965.db2.gz AWIJWJKRSCKIRQ-UHFFFAOYSA-N 1 2 326.156 3.929 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1cc(O)ccc1Br ZINC000092753840 1029721971 /nfs/dbraw/zinc/72/19/71/1029721971.db2.gz AWIJWJKRSCKIRQ-UHFFFAOYSA-N 1 2 326.156 3.929 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268363345 1029743685 /nfs/dbraw/zinc/74/36/85/1029743685.db2.gz TWJKGAJSYQKGSL-UHOSZYNNSA-N 1 2 340.471 3.873 20 0 EHADLO C[C@@H]1C[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H](C)S1 ZINC000525271725 1029767031 /nfs/dbraw/zinc/76/70/31/1029767031.db2.gz INWIJPAIDBHHFY-IOASZLSFSA-N 1 2 338.904 3.661 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000525274509 1029784892 /nfs/dbraw/zinc/78/48/92/1029784892.db2.gz UKZAPXUAOZMQEK-OAHLLOKOSA-N 1 2 336.348 3.986 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000162619323 1029801832 /nfs/dbraw/zinc/80/18/32/1029801832.db2.gz QHUWLDSISYNZML-UHFFFAOYSA-N 1 2 343.471 3.634 20 0 EHADLO Fc1cccc(Cl)c1CCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000446818701 1029802077 /nfs/dbraw/zinc/80/20/77/1029802077.db2.gz SNWITUKHEQMWOH-UHFFFAOYSA-N 1 2 347.865 3.625 20 0 EHADLO Fc1cccc(Cl)c1CCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000446818701 1029802093 /nfs/dbraw/zinc/80/20/93/1029802093.db2.gz SNWITUKHEQMWOH-UHFFFAOYSA-N 1 2 347.865 3.625 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001211581068 1029827294 /nfs/dbraw/zinc/82/72/94/1029827294.db2.gz YEAQRWHXBLLFAC-QMMMGPOBSA-N 1 2 334.153 3.756 20 0 EHADLO Cc1csc2nc(C)nc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c12 ZINC000127072957 1029829234 /nfs/dbraw/zinc/82/92/34/1029829234.db2.gz XUKGFUNZBOLRGR-SMDDNHRTSA-N 1 2 327.457 3.592 20 0 EHADLO C[C@@H]1C[C@H](C)CN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000525445254 1029851324 /nfs/dbraw/zinc/85/13/24/1029851324.db2.gz GTJKWZMDWWIIDA-HZSPNIEDSA-N 1 2 336.505 3.637 20 0 EHADLO C[C@@H]1C[C@H](C)CN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000525445254 1029851328 /nfs/dbraw/zinc/85/13/28/1029851328.db2.gz GTJKWZMDWWIIDA-HZSPNIEDSA-N 1 2 336.505 3.637 20 0 EHADLO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000162724468 1029863209 /nfs/dbraw/zinc/86/32/09/1029863209.db2.gz LLDQSUXVCSXRQD-AWEZNQCLSA-N 1 2 336.395 3.523 20 0 EHADLO Cc1nc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000449671782 1029865994 /nfs/dbraw/zinc/86/59/94/1029865994.db2.gz TWAYGBVYQAZMHO-AWEZNQCLSA-N 1 2 331.268 3.756 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000446984047 1029872603 /nfs/dbraw/zinc/87/26/03/1029872603.db2.gz BZAAXAPYCVXRPN-HNNXBMFYSA-N 1 2 332.492 3.720 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975424 1029877558 /nfs/dbraw/zinc/87/75/58/1029877558.db2.gz RARLINPTPAHHER-YMTOWFKASA-N 1 2 348.365 3.571 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975424 1029877562 /nfs/dbraw/zinc/87/75/62/1029877562.db2.gz RARLINPTPAHHER-YMTOWFKASA-N 1 2 348.365 3.571 20 0 EHADLO CCn1c(C)cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000156562565 1029878829 /nfs/dbraw/zinc/87/88/29/1029878829.db2.gz UEHHRBLLNNQWCT-HNNXBMFYSA-N 1 2 345.512 3.705 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442408 1029887689 /nfs/dbraw/zinc/88/76/89/1029887689.db2.gz PPHLRJIWLOVTIX-UHFFFAOYSA-N 1 2 328.347 3.684 20 0 EHADLO COC1(c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)CCCCC1 ZINC000583482287 1029892588 /nfs/dbraw/zinc/89/25/88/1029892588.db2.gz RGYXXBMRGTVXIB-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000531868849 1029944151 /nfs/dbraw/zinc/94/41/51/1029944151.db2.gz AKJOHJOTZVNEAN-AWEZNQCLSA-N 1 2 336.476 3.916 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000531868849 1029944162 /nfs/dbraw/zinc/94/41/62/1029944162.db2.gz AKJOHJOTZVNEAN-AWEZNQCLSA-N 1 2 336.476 3.916 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H](C)C1CCCCC1 ZINC000481790551 1029967446 /nfs/dbraw/zinc/96/74/46/1029967446.db2.gz ULFDYMFAHVIXDT-LSDHHAIUSA-N 1 2 332.492 3.904 20 0 EHADLO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccncc1Br ZINC000631117882 1029997363 /nfs/dbraw/zinc/99/73/63/1029997363.db2.gz BSLJNXXWYHLNBN-CQSZACIVSA-N 1 2 337.192 3.597 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cnccc2C)sc1Br ZINC000453267838 1030003732 /nfs/dbraw/zinc/00/37/32/1030003732.db2.gz MWXKRHMZWLBNSA-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000156773139 1030008203 /nfs/dbraw/zinc/00/82/03/1030008203.db2.gz DGMKQHHOTQYETC-HOTGVXAUSA-N 1 2 341.455 3.535 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000156773139 1030008220 /nfs/dbraw/zinc/00/82/20/1030008220.db2.gz DGMKQHHOTQYETC-HOTGVXAUSA-N 1 2 341.455 3.535 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000089856292 1030009370 /nfs/dbraw/zinc/00/93/70/1030009370.db2.gz IQXVVKQFDXHERJ-MRXNPFEDSA-N 1 2 349.434 3.775 20 0 EHADLO CCc1cc(N2CCn3c(cc4c3cccc4Cl)C2)nc(C)[nH+]1 ZINC000444869799 1030012089 /nfs/dbraw/zinc/01/20/89/1030012089.db2.gz HPXGDHGFLIQFSW-UHFFFAOYSA-N 1 2 326.831 3.976 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C2(COC)CCCC2)no1)c1ccccc1 ZINC000453289238 1030033050 /nfs/dbraw/zinc/03/30/50/1030033050.db2.gz KFSZFJFCXCRKKT-MRXNPFEDSA-N 1 2 329.444 3.569 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C2(COC)CCCC2)no1)c1ccccc1 ZINC000453289238 1030033065 /nfs/dbraw/zinc/03/30/65/1030033065.db2.gz KFSZFJFCXCRKKT-MRXNPFEDSA-N 1 2 329.444 3.569 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000583528747 1030041540 /nfs/dbraw/zinc/04/15/40/1030041540.db2.gz KIJPBLICEVARKC-ZDUSSCGKSA-N 1 2 342.455 3.779 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000453306934 1030077271 /nfs/dbraw/zinc/07/72/71/1030077271.db2.gz KNCUMPRDISPDLT-CQSZACIVSA-N 1 2 334.261 3.695 20 0 EHADLO C[C@@](CO)([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000600647491 1030086126 /nfs/dbraw/zinc/08/61/26/1030086126.db2.gz UBCFWKSKZWQPEC-IBGZPJMESA-N 1 2 342.826 3.992 20 0 EHADLO COc1ccc(CSCCn2cc[nH+]c2)cc1Br ZINC000090199637 1030087861 /nfs/dbraw/zinc/08/78/61/1030087861.db2.gz FMOFOOPJHAEQCM-UHFFFAOYSA-N 1 2 327.247 3.588 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(F)c1 ZINC000090450362 1030115273 /nfs/dbraw/zinc/11/52/73/1030115273.db2.gz IJPITDJUAOTDGT-KBPBESRZSA-N 1 2 340.402 3.827 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000052440025 1030155334 /nfs/dbraw/zinc/15/53/34/1030155334.db2.gz ZRMCQFCRRHNYSJ-ZDUSSCGKSA-N 1 2 326.234 3.749 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900142072 1030141070 /nfs/dbraw/zinc/14/10/70/1030141070.db2.gz SDXYPKPQAAYFSC-LPHOPBHVSA-N 1 2 340.471 3.646 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000052440025 1030155329 /nfs/dbraw/zinc/15/53/29/1030155329.db2.gz ZRMCQFCRRHNYSJ-ZDUSSCGKSA-N 1 2 326.234 3.749 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cnc(C)cc2C)nnn1-c1ccc(F)cc1 ZINC000453381247 1030159969 /nfs/dbraw/zinc/15/99/69/1030159969.db2.gz XKFRODHMBPRKIP-CQSZACIVSA-N 1 2 339.418 3.577 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)cn1 ZINC000453385217 1030166283 /nfs/dbraw/zinc/16/62/83/1030166283.db2.gz UFQXNUYYUPMUDS-UWVGGRQHSA-N 1 2 341.228 3.611 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018461 1030176584 /nfs/dbraw/zinc/17/65/84/1030176584.db2.gz RENZGJPKILEPIV-TZMCWYRMSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018461 1030176592 /nfs/dbraw/zinc/17/65/92/1030176592.db2.gz RENZGJPKILEPIV-TZMCWYRMSA-N 1 2 329.893 3.754 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1=CCCCC1 ZINC000525866210 1030183377 /nfs/dbraw/zinc/18/33/77/1030183377.db2.gz FZTUHNXBWWKDJN-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1=CCCCC1 ZINC000525866210 1030183387 /nfs/dbraw/zinc/18/33/87/1030183387.db2.gz FZTUHNXBWWKDJN-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO CC1(C)C[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082945 1030231679 /nfs/dbraw/zinc/23/16/79/1030231679.db2.gz ZRCGAAOAROYUPV-OAHLLOKOSA-N 1 2 336.439 3.769 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)c2ccco2)cc1 ZINC000453418077 1030234428 /nfs/dbraw/zinc/23/44/28/1030234428.db2.gz VCRDPSJWNZAMOM-FXAWDEMLSA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000583594178 1030234615 /nfs/dbraw/zinc/23/46/15/1030234615.db2.gz LALAUIDYGKQUFL-KRWDZBQOSA-N 1 2 326.375 3.992 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168344669 1030270634 /nfs/dbraw/zinc/27/06/34/1030270634.db2.gz KKDHKLAKINXYTG-INXRADFVSA-N 1 2 339.838 3.952 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168344669 1030270653 /nfs/dbraw/zinc/27/06/53/1030270653.db2.gz KKDHKLAKINXYTG-INXRADFVSA-N 1 2 339.838 3.952 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(OC)ccn1 ZINC000121458127 1030273345 /nfs/dbraw/zinc/27/33/45/1030273345.db2.gz FMVARRVAARNLSL-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(OC)ccn1 ZINC000121458127 1030273362 /nfs/dbraw/zinc/27/33/62/1030273362.db2.gz FMVARRVAARNLSL-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091702435 1030289345 /nfs/dbraw/zinc/28/93/45/1030289345.db2.gz QLIMSELVZKAFBV-YOEHRIQHSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702435 1030289362 /nfs/dbraw/zinc/28/93/62/1030289362.db2.gz QLIMSELVZKAFBV-YOEHRIQHSA-N 1 2 343.496 3.672 20 0 EHADLO C[C@H]([NH2+]CC1(F)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000525995465 1030289690 /nfs/dbraw/zinc/28/96/90/1030289690.db2.gz SSKSJLFKQYQZLH-VIFPVBQESA-N 1 2 340.196 3.652 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091704397 1030292231 /nfs/dbraw/zinc/29/22/31/1030292231.db2.gz SMGPRVNHRNSEGL-SFHVURJKSA-N 1 2 339.483 3.822 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091704397 1030292243 /nfs/dbraw/zinc/29/22/43/1030292243.db2.gz SMGPRVNHRNSEGL-SFHVURJKSA-N 1 2 339.483 3.822 20 0 EHADLO CC(C)n1cccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000343336451 1030348913 /nfs/dbraw/zinc/34/89/13/1030348913.db2.gz XRQLQWOSPTUHRB-INIZCTEOSA-N 1 2 341.455 3.715 20 0 EHADLO C[N@H+](Cc1c(F)cncc1Br)CC1(O)CCCCCC1 ZINC000668013099 1030355656 /nfs/dbraw/zinc/35/56/56/1030355656.db2.gz QFCIRBKMSKFXFC-UHFFFAOYSA-N 1 2 345.256 3.500 20 0 EHADLO C[N@@H+](Cc1c(F)cncc1Br)CC1(O)CCCCCC1 ZINC000668013099 1030355673 /nfs/dbraw/zinc/35/56/73/1030355673.db2.gz QFCIRBKMSKFXFC-UHFFFAOYSA-N 1 2 345.256 3.500 20 0 EHADLO C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000092034614 1030362583 /nfs/dbraw/zinc/36/25/83/1030362583.db2.gz BICSBXRNVOEDQB-CVEARBPZSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)c1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000343340500 1030370912 /nfs/dbraw/zinc/37/09/12/1030370912.db2.gz GKFYHHXDWOUPJB-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1cc2n(n1)CCCC2 ZINC000647302256 1030379945 /nfs/dbraw/zinc/37/99/45/1030379945.db2.gz JXUGOXVSSRFGJR-VXGBXAGGSA-N 1 2 349.276 3.789 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453615593 1030404923 /nfs/dbraw/zinc/40/49/23/1030404923.db2.gz QQIGXJCKWROMAG-HNNXBMFYSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453615593 1030404933 /nfs/dbraw/zinc/40/49/33/1030404933.db2.gz QQIGXJCKWROMAG-HNNXBMFYSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000526087610 1030410833 /nfs/dbraw/zinc/41/08/33/1030410833.db2.gz PIMZTHRPXKRNET-LBPRGKRZSA-N 1 2 338.329 3.545 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccsc1)CC3 ZINC000092261344 1030417867 /nfs/dbraw/zinc/41/78/67/1030417867.db2.gz DXRDDQSRSALCCP-UHFFFAOYSA-N 1 2 326.421 3.574 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccsc1)CC3 ZINC000092261344 1030417874 /nfs/dbraw/zinc/41/78/74/1030417874.db2.gz DXRDDQSRSALCCP-UHFFFAOYSA-N 1 2 326.421 3.574 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000194305402 1030446928 /nfs/dbraw/zinc/44/69/28/1030446928.db2.gz VHIZMRBKUVWVAP-HNNXBMFYSA-N 1 2 335.444 3.683 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000194305402 1030446936 /nfs/dbraw/zinc/44/69/36/1030446936.db2.gz VHIZMRBKUVWVAP-HNNXBMFYSA-N 1 2 335.444 3.683 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452456 1030455225 /nfs/dbraw/zinc/45/52/25/1030455225.db2.gz GJJSAXXTDFCSTK-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452456 1030455232 /nfs/dbraw/zinc/45/52/32/1030455232.db2.gz GJJSAXXTDFCSTK-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)C[C@@H]1OCCc2ccccc21 ZINC000447745347 1030463634 /nfs/dbraw/zinc/46/36/34/1030463634.db2.gz NGARGDHJDBSMEY-AWEZNQCLSA-N 1 2 342.386 3.908 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)C[C@@H]1OCCc2ccccc21 ZINC000447745347 1030463642 /nfs/dbraw/zinc/46/36/42/1030463642.db2.gz NGARGDHJDBSMEY-AWEZNQCLSA-N 1 2 342.386 3.908 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)nc2ccccc12 ZINC000532218595 1030486371 /nfs/dbraw/zinc/48/63/71/1030486371.db2.gz LICGGQTVPHWRIZ-RZFZLAGVSA-N 1 2 339.464 3.526 20 0 EHADLO CC[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343357706 1030488544 /nfs/dbraw/zinc/48/85/44/1030488544.db2.gz FKFCKHIOHYMSIR-KRWDZBQOSA-N 1 2 334.423 3.849 20 0 EHADLO O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000583712198 1030521366 /nfs/dbraw/zinc/52/13/66/1030521366.db2.gz OSRAOYNYWDHCEW-INIZCTEOSA-N 1 2 331.847 3.550 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C(C)(F)F)c(C)c1 ZINC000343365438 1030533949 /nfs/dbraw/zinc/53/39/49/1030533949.db2.gz BLPDHLCKVSESEA-ZBFHGGJFSA-N 1 2 335.398 3.649 20 0 EHADLO C[C@@H]1CC[C@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000526989847 1030550396 /nfs/dbraw/zinc/55/03/96/1030550396.db2.gz ZAAVCXHGUXRPPH-CVEARBPZSA-N 1 2 344.503 3.545 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447882460 1030563386 /nfs/dbraw/zinc/56/33/86/1030563386.db2.gz PELIUHDPXMNIIF-PEZBUJJGSA-N 1 2 347.455 3.635 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447882460 1030563392 /nfs/dbraw/zinc/56/33/92/1030563392.db2.gz PELIUHDPXMNIIF-PEZBUJJGSA-N 1 2 347.455 3.635 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccnn1CC1CC1 ZINC000668081508 1030569481 /nfs/dbraw/zinc/56/94/81/1030569481.db2.gz ZOAXWZPWNIKTBX-SFHVURJKSA-N 1 2 333.863 3.766 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000668081508 1030569484 /nfs/dbraw/zinc/56/94/84/1030569484.db2.gz ZOAXWZPWNIKTBX-SFHVURJKSA-N 1 2 333.863 3.766 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H]1c2ccccc2O[C@@H]1C)c1ccccc1 ZINC000685192067 1030597167 /nfs/dbraw/zinc/59/71/67/1030597167.db2.gz UOCVAQGAWIXMBA-CDHQVMDDSA-N 1 2 338.451 3.708 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2sccc2F)c(C)c1 ZINC000343383078 1030604262 /nfs/dbraw/zinc/60/42/62/1030604262.db2.gz MNJVQDVZWVNTSZ-MRXNPFEDSA-N 1 2 343.427 3.872 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1ccc(C)o1 ZINC000925203475 1030613816 /nfs/dbraw/zinc/61/38/16/1030613816.db2.gz IDIVFYYRERSGCO-AAEUAGOBSA-N 1 2 339.233 3.784 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCOCC12CCC2 ZINC000093509752 1030625123 /nfs/dbraw/zinc/62/51/23/1030625123.db2.gz AUSZZXDXRXMMJP-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCOCC12CCC2 ZINC000093509752 1030625133 /nfs/dbraw/zinc/62/51/33/1030625133.db2.gz AUSZZXDXRXMMJP-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)NCCNc2cccc[nH+]2)c1 ZINC000447964084 1030635775 /nfs/dbraw/zinc/63/57/75/1030635775.db2.gz LOYDOBQANPLIFR-MRXNPFEDSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)[nH+]c12 ZINC000527092693 1030639622 /nfs/dbraw/zinc/63/96/22/1030639622.db2.gz RXXZOMONWZIIFD-MOPGFXCFSA-N 1 2 347.462 3.713 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CCSC[C@@H]2C)c(C)n1Cc1ccco1 ZINC000448013489 1030667002 /nfs/dbraw/zinc/66/70/02/1030667002.db2.gz XBCGWLANYXAPOI-GOEBONIOSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CCSC[C@@H]2C)c(C)n1Cc1ccco1 ZINC000448013489 1030667004 /nfs/dbraw/zinc/66/70/04/1030667004.db2.gz XBCGWLANYXAPOI-GOEBONIOSA-N 1 2 346.496 3.755 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)[nH]1 ZINC000093898424 1030696621 /nfs/dbraw/zinc/69/66/21/1030696621.db2.gz HXQAWDDLCCWBRJ-UHFFFAOYSA-N 1 2 349.434 3.535 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)[nH]1 ZINC000093898424 1030696630 /nfs/dbraw/zinc/69/66/30/1030696630.db2.gz HXQAWDDLCCWBRJ-UHFFFAOYSA-N 1 2 349.434 3.535 20 0 EHADLO O=C(NCc1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000170692408 1030698620 /nfs/dbraw/zinc/69/86/20/1030698620.db2.gz VCNVWURQWMWNHF-UXHICEINSA-N 1 2 346.434 3.611 20 0 EHADLO CCc1nc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)sc1C ZINC000527236505 1030727958 /nfs/dbraw/zinc/72/79/58/1030727958.db2.gz HWGJKGPACRHESO-NSHDSACASA-N 1 2 332.473 3.604 20 0 EHADLO CCc1nc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)sc1C ZINC000527236505 1030727973 /nfs/dbraw/zinc/72/79/73/1030727973.db2.gz HWGJKGPACRHESO-NSHDSACASA-N 1 2 332.473 3.604 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000527324730 1030796160 /nfs/dbraw/zinc/79/61/60/1030796160.db2.gz LVNUNZCJPQDUSF-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000527324730 1030796175 /nfs/dbraw/zinc/79/61/75/1030796175.db2.gz LVNUNZCJPQDUSF-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccc(OCC(F)(F)F)cc1 ZINC000924782076 1030805923 /nfs/dbraw/zinc/80/59/23/1030805923.db2.gz JSELGBNEZQGXHQ-MNOVXSKESA-N 1 2 344.333 3.520 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)n1 ZINC000247017349 1030836323 /nfs/dbraw/zinc/83/63/23/1030836323.db2.gz CKVIHMSPLAFYPP-GJZGRUSLSA-N 1 2 331.464 3.661 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)n1 ZINC000247017349 1030836349 /nfs/dbraw/zinc/83/63/49/1030836349.db2.gz CKVIHMSPLAFYPP-GJZGRUSLSA-N 1 2 331.464 3.661 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115631519 1030896313 /nfs/dbraw/zinc/89/63/13/1030896313.db2.gz YNDZSCCFQKMICA-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(-n4cccc4)c3)[nH+]c12 ZINC000527475309 1030926471 /nfs/dbraw/zinc/92/64/71/1030926471.db2.gz VGANJQBYMONUIL-UHFFFAOYSA-N 1 2 330.391 3.615 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)nsc1C ZINC000583850422 1030936843 /nfs/dbraw/zinc/93/68/43/1030936843.db2.gz IQJCILQUBMLINT-UHFFFAOYSA-N 1 2 347.484 3.619 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)nsc1C ZINC000583850422 1030936859 /nfs/dbraw/zinc/93/68/59/1030936859.db2.gz IQJCILQUBMLINT-UHFFFAOYSA-N 1 2 347.484 3.619 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000448359850 1030984493 /nfs/dbraw/zinc/98/44/93/1030984493.db2.gz PPAMMKYCTREYEZ-MFKMUULPSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000448359850 1030984511 /nfs/dbraw/zinc/98/45/11/1030984511.db2.gz PPAMMKYCTREYEZ-MFKMUULPSA-N 1 2 336.423 3.576 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483172507 1031022555 /nfs/dbraw/zinc/02/25/55/1031022555.db2.gz BAZCBAKMBJOLIW-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483172507 1031022571 /nfs/dbraw/zinc/02/25/71/1031022571.db2.gz BAZCBAKMBJOLIW-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1nnc(SCC2CCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000172898130 1031027858 /nfs/dbraw/zinc/02/78/58/1031027858.db2.gz OUGWPDXVNKOEJR-GFCCVEGCSA-N 1 2 334.464 3.921 20 0 EHADLO Cc1cnc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)s1 ZINC000173586494 1031115915 /nfs/dbraw/zinc/11/59/15/1031115915.db2.gz OZVIGHLMJZOKHR-INIZCTEOSA-N 1 2 338.436 3.518 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(Br)cc1F)c1c(C)noc1C ZINC000527681648 1031145056 /nfs/dbraw/zinc/14/50/56/1031145056.db2.gz BODHAUQXLMEIDG-GFCCVEGCSA-N 1 2 342.212 3.829 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000483430925 1031149008 /nfs/dbraw/zinc/14/90/08/1031149008.db2.gz YRBWTOKZZSAGIS-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000483430925 1031149017 /nfs/dbraw/zinc/14/90/17/1031149017.db2.gz YRBWTOKZZSAGIS-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527688652 1031151171 /nfs/dbraw/zinc/15/11/71/1031151171.db2.gz WOPPCDPAUFEPED-UHFFFAOYSA-N 1 2 327.806 3.766 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(F)c3)CCO2)cc1 ZINC000483426829 1031156870 /nfs/dbraw/zinc/15/68/70/1031156870.db2.gz GXWSBZMQISPKNI-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)CCO2)cc1 ZINC000483426829 1031156877 /nfs/dbraw/zinc/15/68/77/1031156877.db2.gz GXWSBZMQISPKNI-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655778122 1031169917 /nfs/dbraw/zinc/16/99/17/1031169917.db2.gz DBJJLOIAZYLYLH-CYBMUJFWSA-N 1 2 340.652 3.924 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)s1 ZINC000527741554 1031194266 /nfs/dbraw/zinc/19/42/66/1031194266.db2.gz DXZRJULNASBOFS-SNVBAGLBSA-N 1 2 332.395 3.530 20 0 EHADLO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1F ZINC000278517503 1031208255 /nfs/dbraw/zinc/20/82/55/1031208255.db2.gz PPBFLCHHNASQLK-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cccc(C(F)F)c2F)[C@@H](c2ccccc2)C1 ZINC000527779726 1031212504 /nfs/dbraw/zinc/21/25/04/1031212504.db2.gz IUOLVUXWSHXFEJ-MRXNPFEDSA-N 1 2 348.368 3.892 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cccc(C(F)F)c2F)[C@@H](c2ccccc2)C1 ZINC000527779726 1031212515 /nfs/dbraw/zinc/21/25/15/1031212515.db2.gz IUOLVUXWSHXFEJ-MRXNPFEDSA-N 1 2 348.368 3.892 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C(F)F)c1F ZINC000527779380 1031213304 /nfs/dbraw/zinc/21/33/04/1031213304.db2.gz LFZUAGMNBTXRQY-UHFFFAOYSA-N 1 2 349.356 3.689 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000343518302 1031216437 /nfs/dbraw/zinc/21/64/37/1031216437.db2.gz SXCNDYNITRQHQB-UHFFFAOYSA-N 1 2 332.879 3.748 20 0 EHADLO Cc1cc(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000477093228 1031247473 /nfs/dbraw/zinc/24/74/73/1031247473.db2.gz VXYWUIXJPBJZHO-OAHLLOKOSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000477093228 1031247490 /nfs/dbraw/zinc/24/74/90/1031247490.db2.gz VXYWUIXJPBJZHO-OAHLLOKOSA-N 1 2 343.446 3.744 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NC[C@H]2CSCCS2)cc1 ZINC000760561779 1031275030 /nfs/dbraw/zinc/27/50/30/1031275030.db2.gz RGOMGWLWWJIGCD-HNNXBMFYSA-N 1 2 332.494 3.921 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CN[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000483697615 1031290126 /nfs/dbraw/zinc/29/01/26/1031290126.db2.gz XPIFOCMWHVLLBL-SFHVURJKSA-N 1 2 343.471 3.637 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000483715985 1031294854 /nfs/dbraw/zinc/29/48/54/1031294854.db2.gz TXLAXGYSXFYVFS-PBHICJAKSA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@@H](COC)C1 ZINC000483715985 1031294864 /nfs/dbraw/zinc/29/48/64/1031294864.db2.gz TXLAXGYSXFYVFS-PBHICJAKSA-N 1 2 339.863 3.693 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000343537187 1031311749 /nfs/dbraw/zinc/31/17/49/1031311749.db2.gz ICGDDUQUMMVFEO-DBXWQHBBSA-N 1 2 339.483 3.503 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000668267636 1031353712 /nfs/dbraw/zinc/35/37/12/1031353712.db2.gz TXEDWQVREWVSNB-JFIYKMOQSA-N 1 2 343.858 3.835 20 0 EHADLO C[C@@H]1CCCN(C(=O)C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000527848146 1031364427 /nfs/dbraw/zinc/36/44/27/1031364427.db2.gz NRNXLEQAJGUJDZ-MRXNPFEDSA-N 1 2 337.467 3.710 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000668281444 1031383086 /nfs/dbraw/zinc/38/30/86/1031383086.db2.gz VTQCHYJMXZCWAG-MRXNPFEDSA-N 1 2 341.352 3.742 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000668281444 1031383096 /nfs/dbraw/zinc/38/30/96/1031383096.db2.gz VTQCHYJMXZCWAG-MRXNPFEDSA-N 1 2 341.352 3.742 20 0 EHADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527894501 1031389363 /nfs/dbraw/zinc/38/93/63/1031389363.db2.gz QMZVZEMDIUCVOW-HNNXBMFYSA-N 1 2 325.456 3.614 20 0 EHADLO Cc1cscc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176135923 1031416119 /nfs/dbraw/zinc/41/61/19/1031416119.db2.gz WDLLWYTZNMFGBS-UHFFFAOYSA-N 1 2 327.409 3.584 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483991152 1031423164 /nfs/dbraw/zinc/42/31/64/1031423164.db2.gz YYPKBZMDEDYQLO-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483991152 1031423181 /nfs/dbraw/zinc/42/31/81/1031423181.db2.gz YYPKBZMDEDYQLO-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1ccn(C)n1 ZINC000527908689 1031438386 /nfs/dbraw/zinc/43/83/86/1031438386.db2.gz MISUCMBHLZJBHG-DTWKUNHWSA-N 1 2 344.203 3.873 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2ccc3ccccc3c2OC(F)F)n1 ZINC000527919158 1031455966 /nfs/dbraw/zinc/45/59/66/1031455966.db2.gz BSRUMTBZWNGJIV-GFCCVEGCSA-N 1 2 346.381 3.903 20 0 EHADLO CCS[C@H]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000176780317 1031484885 /nfs/dbraw/zinc/48/48/85/1031484885.db2.gz MTHQTIJVAXCHFM-WBVHZDCISA-N 1 2 329.469 3.666 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347426862 1031516088 /nfs/dbraw/zinc/51/60/88/1031516088.db2.gz ITXYWCHEVZCJAI-RDJZCZTQSA-N 1 2 343.446 3.534 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000060408158 1031558134 /nfs/dbraw/zinc/55/81/34/1031558134.db2.gz NYRYWMNJASGGGF-UHFFFAOYSA-N 1 2 327.472 3.710 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000528006855 1031574726 /nfs/dbraw/zinc/57/47/26/1031574726.db2.gz PFHABEYYEFDCDR-RYRKJORJSA-N 1 2 333.863 3.709 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347439382 1031578575 /nfs/dbraw/zinc/57/85/75/1031578575.db2.gz XOUYWGISMKJFMJ-CYBMUJFWSA-N 1 2 341.386 3.634 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(N2CCCC2=O)c1 ZINC000528036770 1031615217 /nfs/dbraw/zinc/61/52/17/1031615217.db2.gz WMZUXGBUEKWDAA-KBPBESRZSA-N 1 2 327.403 3.759 20 0 EHADLO C[C@H](CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)n1cc[nH+]c1 ZINC000551752795 1031622614 /nfs/dbraw/zinc/62/26/14/1031622614.db2.gz NDHFGAITVNNREO-SNVBAGLBSA-N 1 2 348.378 3.875 20 0 EHADLO CSc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000178190869 1031640317 /nfs/dbraw/zinc/64/03/17/1031640317.db2.gz FFYVYOCOAGUHHA-UHFFFAOYSA-N 1 2 345.449 3.599 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000667017887 1031663707 /nfs/dbraw/zinc/66/37/07/1031663707.db2.gz COBSVNNULMFKRE-AWEZNQCLSA-N 1 2 347.484 3.785 20 0 EHADLO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1noc(C2CC2)n1 ZINC000343621157 1031667622 /nfs/dbraw/zinc/66/76/22/1031667622.db2.gz HDFHEIICBYBBAG-HNNXBMFYSA-N 1 2 333.407 3.669 20 0 EHADLO Cc1c(C[N@H+](C)Cc2cc(Br)c(Cl)s2)cnn1C ZINC000584093561 1031697194 /nfs/dbraw/zinc/69/71/94/1031697194.db2.gz UXQJPHJJRRBCLF-UHFFFAOYSA-N 1 2 348.697 3.838 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2cc(Br)c(Cl)s2)cnn1C ZINC000584093561 1031697201 /nfs/dbraw/zinc/69/72/01/1031697201.db2.gz UXQJPHJJRRBCLF-UHFFFAOYSA-N 1 2 348.697 3.838 20 0 EHADLO Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1Cl ZINC000448837179 1031747132 /nfs/dbraw/zinc/74/71/32/1031747132.db2.gz SEBKORVZVHKUTH-UHFFFAOYSA-N 1 2 338.238 3.976 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158944110 1031748628 /nfs/dbraw/zinc/74/86/28/1031748628.db2.gz GBPGJDNNKONBCZ-PBHICJAKSA-N 1 2 344.842 3.594 20 0 EHADLO CCO[C@@H](c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1)C(C)C ZINC000904120240 1031753981 /nfs/dbraw/zinc/75/39/81/1031753981.db2.gz VFJZLZLOZZLTTJ-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO C[C@H](CN(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635482176 1031756252 /nfs/dbraw/zinc/75/62/52/1031756252.db2.gz HWSLMGGBQRLWBS-HIFRSBDPSA-N 1 2 339.361 3.639 20 0 EHADLO O=C(Nc1cccc(-c2cnco2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117621416 1031782718 /nfs/dbraw/zinc/78/27/18/1031782718.db2.gz ZYIARNJQTHZKQX-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234906 1031811642 /nfs/dbraw/zinc/81/16/42/1031811642.db2.gz DLQQYYHPKRXCRH-INIZCTEOSA-N 1 2 326.440 3.854 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234906 1031811650 /nfs/dbraw/zinc/81/16/50/1031811650.db2.gz DLQQYYHPKRXCRH-INIZCTEOSA-N 1 2 326.440 3.854 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000343657321 1031817313 /nfs/dbraw/zinc/81/73/13/1031817313.db2.gz YJYLKCOREQJKKV-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000343657321 1031817333 /nfs/dbraw/zinc/81/73/33/1031817333.db2.gz YJYLKCOREQJKKV-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1cc(NC(=O)NCCCSc2ccc(F)cc2)c(C)c[nH+]1 ZINC000551991819 1031821789 /nfs/dbraw/zinc/82/17/89/1031821789.db2.gz GFMCVQRSKAMOQM-UHFFFAOYSA-N 1 2 333.432 3.563 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCc3ccccc3C1)C2 ZINC000475746607 1031859470 /nfs/dbraw/zinc/85/94/70/1031859470.db2.gz ALZARTYJFPZXEV-INIZCTEOSA-N 1 2 337.467 3.613 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCc3ccccc3C1)CC2 ZINC000475746607 1031859484 /nfs/dbraw/zinc/85/94/84/1031859484.db2.gz ALZARTYJFPZXEV-INIZCTEOSA-N 1 2 337.467 3.613 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000904269366 1031895265 /nfs/dbraw/zinc/89/52/65/1031895265.db2.gz CXOBRYFEMDXPMO-JXFKEZNVSA-N 1 2 332.407 3.784 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1ccccc1O ZINC000584195741 1031909278 /nfs/dbraw/zinc/90/92/78/1031909278.db2.gz OVDOHRBOACELII-OAHLLOKOSA-N 1 2 337.423 3.602 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1ccccc1O ZINC000584195741 1031909292 /nfs/dbraw/zinc/90/92/92/1031909292.db2.gz OVDOHRBOACELII-OAHLLOKOSA-N 1 2 337.423 3.602 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1CCc1ccccc1 ZINC000537834590 1031949047 /nfs/dbraw/zinc/94/90/47/1031949047.db2.gz FXQMARWHGNXQOA-SFHVURJKSA-N 1 2 346.434 3.505 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(F)F ZINC000460688084 1031964606 /nfs/dbraw/zinc/96/46/06/1031964606.db2.gz CFVGVGWXMFFXBZ-NHYWBVRUSA-N 1 2 331.366 3.726 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347478113 1031976707 /nfs/dbraw/zinc/97/67/07/1031976707.db2.gz FBCFEAZHSUAZCT-AEFFLSMTSA-N 1 2 325.456 3.710 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387302 1031983477 /nfs/dbraw/zinc/98/34/77/1031983477.db2.gz RGEGIJCWNDGZBN-DYVFJYSZSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387302 1031983493 /nfs/dbraw/zinc/98/34/93/1031983493.db2.gz RGEGIJCWNDGZBN-DYVFJYSZSA-N 1 2 328.435 3.805 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000195118667 1032040312 /nfs/dbraw/zinc/04/03/12/1032040312.db2.gz BHHYURQIYPIHPJ-HNNXBMFYSA-N 1 2 336.439 3.783 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccnn2C2CCCC2)c(OC)c1 ZINC000449002578 1032041523 /nfs/dbraw/zinc/04/15/23/1032041523.db2.gz LORKYJYFYXPLTH-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccnn2C2CCCC2)c(OC)c1 ZINC000449002578 1032041539 /nfs/dbraw/zinc/04/15/39/1032041539.db2.gz LORKYJYFYXPLTH-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000181960513 1032048575 /nfs/dbraw/zinc/04/85/75/1032048575.db2.gz WACULUSDAXUUIZ-UHFFFAOYSA-N 1 2 343.858 3.530 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000181960513 1032048593 /nfs/dbraw/zinc/04/85/93/1032048593.db2.gz WACULUSDAXUUIZ-UHFFFAOYSA-N 1 2 343.858 3.530 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2cccs2)C1 ZINC000173404749 1033307880 /nfs/dbraw/zinc/30/78/80/1033307880.db2.gz TWHAHQYFAWLARL-CYBMUJFWSA-N 1 2 336.526 3.618 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2cccs2)C1 ZINC000173404749 1033307894 /nfs/dbraw/zinc/30/78/94/1033307894.db2.gz TWHAHQYFAWLARL-CYBMUJFWSA-N 1 2 336.526 3.618 20 0 EHADLO CSCC[C@@H](C)N(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603022403 1033315185 /nfs/dbraw/zinc/31/51/85/1033315185.db2.gz QBAYMMNHCRBLEV-CYBMUJFWSA-N 1 2 346.500 3.906 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000574634174 1033327377 /nfs/dbraw/zinc/32/73/77/1033327377.db2.gz KUYOPAOZAHJLLC-ZDUSSCGKSA-N 1 2 336.842 3.688 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000574634174 1033327392 /nfs/dbraw/zinc/32/73/92/1033327392.db2.gz KUYOPAOZAHJLLC-ZDUSSCGKSA-N 1 2 336.842 3.688 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCn1cc[nH+]c1 ZINC000607878605 1033346769 /nfs/dbraw/zinc/34/67/69/1033346769.db2.gz WOVOCEOUJTZLNU-LJQANCHMSA-N 1 2 327.472 3.842 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc(F)cc2F)CS1 ZINC000898106636 1033352221 /nfs/dbraw/zinc/35/22/21/1033352221.db2.gz QRVSGKSUAABIFX-AXAPSJFSSA-N 1 2 337.439 3.661 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001168113511 1033371737 /nfs/dbraw/zinc/37/17/37/1033371737.db2.gz GUDOPSBBCYBPAO-SOLBZPMBSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1C[C@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001168113511 1033371752 /nfs/dbraw/zinc/37/17/52/1033371752.db2.gz GUDOPSBBCYBPAO-SOLBZPMBSA-N 1 2 347.503 3.534 20 0 EHADLO COc1ccc(-c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)cc1 ZINC000607871638 1033374996 /nfs/dbraw/zinc/37/49/96/1033374996.db2.gz BFVPNDOYOGYURG-UHFFFAOYSA-N 1 2 349.434 3.655 20 0 EHADLO C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000607870591 1033375442 /nfs/dbraw/zinc/37/54/42/1033375442.db2.gz GNRKFFTVAFWVMT-QBIMZIAESA-N 1 2 331.847 3.830 20 0 EHADLO O=C(NCC1CC=CC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000529096212 1033390069 /nfs/dbraw/zinc/39/00/69/1033390069.db2.gz IYMXXEZXMYHLMI-UHFFFAOYSA-N 1 2 336.439 3.974 20 0 EHADLO O=C(c1ccccc1Sc1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000607908872 1033403739 /nfs/dbraw/zinc/40/37/39/1033403739.db2.gz RSVZJTYRNYRWRM-UHFFFAOYSA-N 1 2 335.432 3.731 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1nc(C(F)(F)F)cs1 ZINC000657898525 1033436610 /nfs/dbraw/zinc/43/66/10/1033436610.db2.gz CNVZWFDCWIUJFS-UWVGGRQHSA-N 1 2 330.379 3.934 20 0 EHADLO C[C@@H](CC1CCCC1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616933 1033465826 /nfs/dbraw/zinc/46/58/26/1033465826.db2.gz XXNKAQSTNNBVIZ-YJBOKZPZSA-N 1 2 332.488 3.893 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(C4CCCC4)CC3)[nH+]c12 ZINC000608170074 1033520407 /nfs/dbraw/zinc/52/04/07/1033520407.db2.gz CYJRRUFFIRLKHF-UHFFFAOYSA-N 1 2 325.456 3.614 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccccc1CCc1ccccc1 ZINC001168292242 1033539645 /nfs/dbraw/zinc/53/96/45/1033539645.db2.gz CDRDLZDSRUDZJN-IBGZPJMESA-N 1 2 331.419 3.543 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000608215426 1033547924 /nfs/dbraw/zinc/54/79/24/1033547924.db2.gz YVJNRPIBPYHGGV-IBGZPJMESA-N 1 2 335.382 3.658 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000608260747 1033553348 /nfs/dbraw/zinc/55/33/48/1033553348.db2.gz QIBDAMTXYSUTSX-KRWDZBQOSA-N 1 2 338.386 3.665 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000537526895 1033556311 /nfs/dbraw/zinc/55/63/11/1033556311.db2.gz BKURLFBSVBSEGW-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000537526895 1033556324 /nfs/dbraw/zinc/55/63/24/1033556324.db2.gz BKURLFBSVBSEGW-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000106240319 1033558764 /nfs/dbraw/zinc/55/87/64/1033558764.db2.gz JBOZFODOXVHUGL-SRVKXCTJSA-N 1 2 337.876 3.713 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106240712 1033560375 /nfs/dbraw/zinc/56/03/75/1033560375.db2.gz LKDKFZBFCLLYCO-OLZOCXBDSA-N 1 2 331.485 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)Cc2ccsc2)c1C ZINC000057617552 1033573458 /nfs/dbraw/zinc/57/34/58/1033573458.db2.gz GXZDOSVKODUHMR-ZDUSSCGKSA-N 1 2 347.484 3.541 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685587439 1033592349 /nfs/dbraw/zinc/59/23/49/1033592349.db2.gz HGLGTTSHXZITAY-KCXAZCMYSA-N 1 2 336.863 3.556 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685587439 1033592356 /nfs/dbraw/zinc/59/23/56/1033592356.db2.gz HGLGTTSHXZITAY-KCXAZCMYSA-N 1 2 336.863 3.556 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc(C)cs1 ZINC000608313731 1033615273 /nfs/dbraw/zinc/61/52/73/1033615273.db2.gz KZROHWRSMGUTIX-MRXNPFEDSA-N 1 2 329.429 3.546 20 0 EHADLO CC1(C)COc2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc21 ZINC000685638208 1033647971 /nfs/dbraw/zinc/64/79/71/1033647971.db2.gz PXQIGZGMRQTVBD-UHFFFAOYSA-N 1 2 333.391 3.795 20 0 EHADLO Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000685652105 1033676559 /nfs/dbraw/zinc/67/65/59/1033676559.db2.gz JJSZACYRBQCSKY-SFHVURJKSA-N 1 2 334.423 3.882 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000475663989 1033690678 /nfs/dbraw/zinc/69/06/78/1033690678.db2.gz ZWLPHORELVCMTK-KBPBESRZSA-N 1 2 349.425 3.954 20 0 EHADLO CCc1cnc(C[N@H+](C)CCOc2ccc(Br)cc2)o1 ZINC000608492077 1033722603 /nfs/dbraw/zinc/72/26/03/1033722603.db2.gz HIDUXSKXJNQMIJ-UHFFFAOYSA-N 1 2 339.233 3.510 20 0 EHADLO CCc1cnc(C[N@@H+](C)CCOc2ccc(Br)cc2)o1 ZINC000608492077 1033722618 /nfs/dbraw/zinc/72/26/18/1033722618.db2.gz HIDUXSKXJNQMIJ-UHFFFAOYSA-N 1 2 339.233 3.510 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3C[C@H](C)[C@@H]3c3ccccc3)nc2c1 ZINC000595343058 1033734518 /nfs/dbraw/zinc/73/45/18/1033734518.db2.gz VRGPFEANYQVEFG-ORAYPTAESA-N 1 2 335.407 3.543 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3C[C@H](C)[C@@H]3c3ccccc3)nc2c1 ZINC000595343058 1033734526 /nfs/dbraw/zinc/73/45/26/1033734526.db2.gz VRGPFEANYQVEFG-ORAYPTAESA-N 1 2 335.407 3.543 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000120381570 1033740157 /nfs/dbraw/zinc/74/01/57/1033740157.db2.gz DHNZHGNOKLPAND-CQSZACIVSA-N 1 2 339.464 3.730 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000529269321 1033741951 /nfs/dbraw/zinc/74/19/51/1033741951.db2.gz BJPLSIOMOGTWTD-CVEARBPZSA-N 1 2 341.455 3.712 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](C)(c4ccc(C)cc4)C3)ccn12 ZINC000575071369 1033775489 /nfs/dbraw/zinc/77/54/89/1033775489.db2.gz WMTYKJBJTASCAE-OAQYLSRUSA-N 1 2 333.435 3.755 20 0 EHADLO Cc1cc(C[NH2+]Cc2oc3ccccc3c2Br)n(C)n1 ZINC000655770189 1033785765 /nfs/dbraw/zinc/78/57/65/1033785765.db2.gz BKBDYWXLLMBXIW-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889929 1033802449 /nfs/dbraw/zinc/80/24/49/1033802449.db2.gz ULDWLXRPCOOSCB-AMXDTQDGSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889929 1033802461 /nfs/dbraw/zinc/80/24/61/1033802461.db2.gz ULDWLXRPCOOSCB-AMXDTQDGSA-N 1 2 334.510 3.951 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179174 1033806413 /nfs/dbraw/zinc/80/64/13/1033806413.db2.gz FBUVAOISTMBMDC-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179174 1033806429 /nfs/dbraw/zinc/80/64/29/1033806429.db2.gz FBUVAOISTMBMDC-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO COC[C@@H](CC1CCOCC1)[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000658011911 1033830387 /nfs/dbraw/zinc/83/03/87/1033830387.db2.gz DCAMANIYCUCTSF-MRXNPFEDSA-N 1 2 347.833 3.853 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450165807 1033836004 /nfs/dbraw/zinc/83/60/04/1033836004.db2.gz ZSBZYWDQUHJMAI-INIZCTEOSA-N 1 2 338.432 3.519 20 0 EHADLO CC(C)(CCCc1ccccc1)CNC(=O)CCCn1cc[nH+]c1 ZINC000603677260 1033850140 /nfs/dbraw/zinc/85/01/40/1033850140.db2.gz HVDQQJUWRUYHAB-UHFFFAOYSA-N 1 2 327.472 3.829 20 0 EHADLO C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000608747602 1033856849 /nfs/dbraw/zinc/85/68/49/1033856849.db2.gz BKASHWXLXOGQNZ-SMDDNHRTSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000608747602 1033856862 /nfs/dbraw/zinc/85/68/62/1033856862.db2.gz BKASHWXLXOGQNZ-SMDDNHRTSA-N 1 2 337.769 3.761 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC(C)(C)CC1)c1ccccc1 ZINC000608726589 1033865400 /nfs/dbraw/zinc/86/54/00/1033865400.db2.gz FCBCRSYSIBIGAX-QGZVFWFLSA-N 1 2 340.471 3.536 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000608761137 1033873605 /nfs/dbraw/zinc/87/36/05/1033873605.db2.gz PAZNUYCDYWMKOS-INIZCTEOSA-N 1 2 331.419 3.913 20 0 EHADLO CSc1ccc(F)cc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608771150 1033880969 /nfs/dbraw/zinc/88/09/69/1033880969.db2.gz KKBXVYXRFDZZQQ-UHFFFAOYSA-N 1 2 330.388 3.517 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000608756662 1033887295 /nfs/dbraw/zinc/88/72/95/1033887295.db2.gz GDBOKPDSJIUBNM-PBHICJAKSA-N 1 2 345.443 3.846 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000608756662 1033887316 /nfs/dbraw/zinc/88/73/16/1033887316.db2.gz GDBOKPDSJIUBNM-PBHICJAKSA-N 1 2 345.443 3.846 20 0 EHADLO Fc1ccc(C[N@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450210635 1033899385 /nfs/dbraw/zinc/89/93/85/1033899385.db2.gz JRQOMTAHHFTOLP-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450210635 1033899398 /nfs/dbraw/zinc/89/93/98/1033899398.db2.gz JRQOMTAHHFTOLP-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO CCSCc1ccnc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC001127169736 1033900975 /nfs/dbraw/zinc/90/09/75/1033900975.db2.gz QKQPNIXHQVCJSU-UHFFFAOYSA-N 1 2 326.425 3.543 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599449197 1033932968 /nfs/dbraw/zinc/93/29/68/1033932968.db2.gz MHSVREAYWRJZGU-UHFFFAOYSA-N 1 2 341.455 3.581 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599449197 1033932977 /nfs/dbraw/zinc/93/29/77/1033932977.db2.gz MHSVREAYWRJZGU-UHFFFAOYSA-N 1 2 341.455 3.581 20 0 EHADLO O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2[nH+]ccn2c1 ZINC000603808984 1033940118 /nfs/dbraw/zinc/94/01/18/1033940118.db2.gz UVLBAHYZXYKXNX-UHFFFAOYSA-N 1 2 347.418 3.815 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(OCc2cccnc2)c1 ZINC000603808549 1033940209 /nfs/dbraw/zinc/94/02/09/1033940209.db2.gz GNAKAUPMAUPPGM-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1OC)c1nccs1 ZINC000152649125 1034005439 /nfs/dbraw/zinc/00/54/39/1034005439.db2.gz MMVGLJWDOLLPIE-KRWDZBQOSA-N 1 2 336.457 3.584 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(OCc2ccccc2)nc1 ZINC000603882796 1034005820 /nfs/dbraw/zinc/00/58/20/1034005820.db2.gz YJGNYIAGTUJUPL-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599589401 1034029050 /nfs/dbraw/zinc/02/90/50/1034029050.db2.gz SIVUCEIZMHNBOZ-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599589401 1034029066 /nfs/dbraw/zinc/02/90/66/1034029066.db2.gz SIVUCEIZMHNBOZ-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000537608033 1034030533 /nfs/dbraw/zinc/03/05/33/1034030533.db2.gz ULBPBPHLFBYHJA-FQEVSTJZSA-N 1 2 344.418 3.559 20 0 EHADLO CCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H](C)C(C)C ZINC000074869358 1034047562 /nfs/dbraw/zinc/04/75/62/1034047562.db2.gz OWMGUAQWJRUEIF-AEFFLSMTSA-N 1 2 342.487 3.780 20 0 EHADLO CC1CCC(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000056819009 1034047899 /nfs/dbraw/zinc/04/78/99/1034047899.db2.gz NRORCBVGKAHMMN-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO NC(=O)CC[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450299160 1034053534 /nfs/dbraw/zinc/05/35/34/1034053534.db2.gz ACRBTCDUGYPFOX-LLVKDONJSA-N 1 2 335.810 3.509 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026333 1034060274 /nfs/dbraw/zinc/06/02/74/1034060274.db2.gz XBABLXVQQKZDKJ-ROUUACIJSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026333 1034060285 /nfs/dbraw/zinc/06/02/85/1034060285.db2.gz XBABLXVQQKZDKJ-ROUUACIJSA-N 1 2 348.437 3.797 20 0 EHADLO C[C@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074870023 1034065287 /nfs/dbraw/zinc/06/52/87/1034065287.db2.gz YTTJFMNNIWBJLV-FUHWJXTLSA-N 1 2 340.471 3.536 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000596080631 1034070892 /nfs/dbraw/zinc/07/08/92/1034070892.db2.gz KLADLUPESYUMJQ-CQSZACIVSA-N 1 2 328.412 3.757 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056940950 1034079748 /nfs/dbraw/zinc/07/97/48/1034079748.db2.gz WAYIOGRBJBVXLK-INIZCTEOSA-N 1 2 344.846 3.524 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(OC)c1F)CCS2 ZINC000658223893 1034080882 /nfs/dbraw/zinc/08/08/82/1034080882.db2.gz MLZNLWOCMULFBO-CYBMUJFWSA-N 1 2 334.416 3.565 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000456067210 1034088588 /nfs/dbraw/zinc/08/85/88/1034088588.db2.gz NMRHSDIESNRGMR-HNNXBMFYSA-N 1 2 332.513 3.924 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000599687279 1034115057 /nfs/dbraw/zinc/11/50/57/1034115057.db2.gz ADOJMONITOCXSP-VXGBXAGGSA-N 1 2 334.441 3.565 20 0 EHADLO COc1ccccc1[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccn1 ZINC000534094227 1034123531 /nfs/dbraw/zinc/12/35/31/1034123531.db2.gz NDRMWMUTLVGIQF-NRFANRHFSA-N 1 2 344.418 3.846 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450318883 1034126055 /nfs/dbraw/zinc/12/60/55/1034126055.db2.gz XIERWIFKNFKHEF-IRXDYDNUSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450318883 1034126062 /nfs/dbraw/zinc/12/60/62/1034126062.db2.gz XIERWIFKNFKHEF-IRXDYDNUSA-N 1 2 336.426 3.653 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000596226098 1034127143 /nfs/dbraw/zinc/12/71/43/1034127143.db2.gz VGSJOZKCVUGBCX-RDJZCZTQSA-N 1 2 328.387 3.684 20 0 EHADLO Cc1cc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc[nH+]1 ZINC000612121457 1034146170 /nfs/dbraw/zinc/14/61/70/1034146170.db2.gz ZEJHURFARZKLOD-HNNXBMFYSA-N 1 2 333.391 3.599 20 0 EHADLO FC(F)O[C@@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000529541966 1034146539 /nfs/dbraw/zinc/14/65/39/1034146539.db2.gz NWPQSJIYQUZJMH-SECBINFHSA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000529541966 1034146543 /nfs/dbraw/zinc/14/65/43/1034146543.db2.gz NWPQSJIYQUZJMH-SECBINFHSA-N 1 2 326.206 3.714 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000310022898 1034163889 /nfs/dbraw/zinc/16/38/89/1034163889.db2.gz XKHOEJNIHVCSMT-MRXNPFEDSA-N 1 2 331.460 3.708 20 0 EHADLO CC[N@H+](Cc1ncc(Br)cc1F)[C@@H](C)c1cccnc1 ZINC000529567846 1034223029 /nfs/dbraw/zinc/22/30/29/1034223029.db2.gz UYPYSCBYCIEAGQ-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1ncc(Br)cc1F)[C@@H](C)c1cccnc1 ZINC000529567846 1034223041 /nfs/dbraw/zinc/22/30/41/1034223041.db2.gz UYPYSCBYCIEAGQ-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccccn1 ZINC000119781708 1034242430 /nfs/dbraw/zinc/24/24/30/1034242430.db2.gz BHCPWCHVBALJJD-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccccn1 ZINC000119781708 1034242438 /nfs/dbraw/zinc/24/24/38/1034242438.db2.gz BHCPWCHVBALJJD-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO C[C@H](O)[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000658362766 1034243447 /nfs/dbraw/zinc/24/34/47/1034243447.db2.gz TUKFDEWKGXGEBW-KWBADKCTSA-N 1 2 330.375 3.935 20 0 EHADLO COC(=O)c1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C)s1 ZINC000089117143 1034259062 /nfs/dbraw/zinc/25/90/62/1034259062.db2.gz QFNRDATUWNKFCG-INIZCTEOSA-N 1 2 349.452 3.617 20 0 EHADLO COC(=O)c1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C)s1 ZINC000089117143 1034259078 /nfs/dbraw/zinc/25/90/78/1034259078.db2.gz QFNRDATUWNKFCG-INIZCTEOSA-N 1 2 349.452 3.617 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC(C3CCC3)C3CCC3)[nH+]c12 ZINC000529612519 1034265446 /nfs/dbraw/zinc/26/54/46/1034265446.db2.gz AXHFKNKPDMFIJF-UHFFFAOYSA-N 1 2 325.456 3.518 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1nc2ccccc2n1C(F)F ZINC000534242180 1034284402 /nfs/dbraw/zinc/28/44/02/1034284402.db2.gz GODFGENHGQDLPW-LLVKDONJSA-N 1 2 341.365 3.913 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450426668 1034291888 /nfs/dbraw/zinc/29/18/88/1034291888.db2.gz CXMHNWKZRNUOSJ-GOSISDBHSA-N 1 2 328.460 3.961 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450426668 1034291903 /nfs/dbraw/zinc/29/19/03/1034291903.db2.gz CXMHNWKZRNUOSJ-GOSISDBHSA-N 1 2 328.460 3.961 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(C)s1 ZINC000596594322 1034309928 /nfs/dbraw/zinc/30/99/28/1034309928.db2.gz SXUVVCFGSQIEPD-INIZCTEOSA-N 1 2 330.453 3.821 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(C)s1 ZINC000596594322 1034309940 /nfs/dbraw/zinc/30/99/40/1034309940.db2.gz SXUVVCFGSQIEPD-INIZCTEOSA-N 1 2 330.453 3.821 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](Cc2ccccc2)OC)cs1 ZINC000450442940 1034341031 /nfs/dbraw/zinc/34/10/31/1034341031.db2.gz UHQABWDFQCEDKJ-YJBOKZPZSA-N 1 2 348.512 3.930 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](Cc2ccccc2)OC)cs1 ZINC000450442940 1034341045 /nfs/dbraw/zinc/34/10/45/1034341045.db2.gz UHQABWDFQCEDKJ-YJBOKZPZSA-N 1 2 348.512 3.930 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](Cc2ccco2)Cc2cccs2)C1=O ZINC000192525594 1034384041 /nfs/dbraw/zinc/38/40/41/1034384041.db2.gz NWBCRGGQWWMAHH-QGZVFWFLSA-N 1 2 332.469 3.743 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](Cc2ccco2)Cc2cccs2)C1=O ZINC000192525594 1034384051 /nfs/dbraw/zinc/38/40/51/1034384051.db2.gz NWBCRGGQWWMAHH-QGZVFWFLSA-N 1 2 332.469 3.743 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000604581628 1034429009 /nfs/dbraw/zinc/42/90/09/1034429009.db2.gz XQCJYJNLAGDIJJ-DLBZAZTESA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000079586298 1034434751 /nfs/dbraw/zinc/43/47/51/1034434751.db2.gz IBTDHPJKTFURAW-SFHVURJKSA-N 1 2 338.455 3.528 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Cl)c1 ZINC000529695871 1034440268 /nfs/dbraw/zinc/44/02/68/1034440268.db2.gz GTHMZLGBHBGSKV-CYBMUJFWSA-N 1 2 349.837 3.927 20 0 EHADLO COC(=O)c1csc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000450522746 1034473517 /nfs/dbraw/zinc/47/35/17/1034473517.db2.gz ZSSHWCGRNHWKIC-KRWDZBQOSA-N 1 2 342.464 3.972 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000450522746 1034473527 /nfs/dbraw/zinc/47/35/27/1034473527.db2.gz ZSSHWCGRNHWKIC-KRWDZBQOSA-N 1 2 342.464 3.972 20 0 EHADLO O=C(NC1CCc2ccccc2CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000456466404 1034481111 /nfs/dbraw/zinc/48/11/11/1034481111.db2.gz XBEPPZCQNUQBOI-UHFFFAOYSA-N 1 2 345.446 3.609 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(COC)cs1 ZINC000597007031 1034489455 /nfs/dbraw/zinc/48/94/55/1034489455.db2.gz JAPUOTLJFGXFQY-SFHVURJKSA-N 1 2 347.480 3.501 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(COC)cs1 ZINC000597007031 1034489464 /nfs/dbraw/zinc/48/94/64/1034489464.db2.gz JAPUOTLJFGXFQY-SFHVURJKSA-N 1 2 347.480 3.501 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000604847528 1034524958 /nfs/dbraw/zinc/52/49/58/1034524958.db2.gz HTOURVCDFDCLDR-SJLPKXTDSA-N 1 2 330.472 3.674 20 0 EHADLO COc1cccc([C@H](CNCc2nc(C)c(C)s2)[NH+]2CCCC2)c1 ZINC000892475054 1034550319 /nfs/dbraw/zinc/55/03/19/1034550319.db2.gz DBCFLRWLYJKXSJ-SFHVURJKSA-N 1 2 345.512 3.695 20 0 EHADLO CCCC[C@H](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000604972880 1034565441 /nfs/dbraw/zinc/56/54/41/1034565441.db2.gz IXXSUCMBHCDXPY-SFHVURJKSA-N 1 2 346.515 3.742 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000450623462 1034576997 /nfs/dbraw/zinc/57/69/97/1034576997.db2.gz QELIOGNKPQAHMV-DQYPLSBCSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000450623462 1034577005 /nfs/dbraw/zinc/57/70/05/1034577005.db2.gz QELIOGNKPQAHMV-DQYPLSBCSA-N 1 2 344.282 3.804 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ncc(Br)s2)c1C ZINC000534496557 1034608963 /nfs/dbraw/zinc/60/89/63/1034608963.db2.gz JSCGNCHNGOZPFI-VIFPVBQESA-N 1 2 343.294 3.590 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000413612397 1034615990 /nfs/dbraw/zinc/61/59/90/1034615990.db2.gz DTUPXTKSPQSBMV-ROUUACIJSA-N 1 2 346.519 3.693 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000605088465 1034624797 /nfs/dbraw/zinc/62/47/97/1034624797.db2.gz DIXUTYSVPOBXCI-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605119658 1034629207 /nfs/dbraw/zinc/62/92/07/1034629207.db2.gz FFZURZOBJFAKOD-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450666627 1034665212 /nfs/dbraw/zinc/66/52/12/1034665212.db2.gz JEFHSAPQPHHCGY-LLVKDONJSA-N 1 2 333.457 3.592 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(OCc2ccccn2)c1 ZINC000450667781 1034668709 /nfs/dbraw/zinc/66/87/09/1034668709.db2.gz XFQYYYXTAYAZCB-KGLIPLIRSA-N 1 2 340.452 3.924 20 0 EHADLO Cc1[nH+]c2n(c1C)CCN(C(=O)CCC(C)(C)c1ccccc1)C2 ZINC000375852591 1034724256 /nfs/dbraw/zinc/72/42/56/1034724256.db2.gz XKBDTAMPOBQMQK-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000456817225 1034745940 /nfs/dbraw/zinc/74/59/40/1034745940.db2.gz HOXZUZZYUUXMNP-WCQYABFASA-N 1 2 335.398 3.660 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)nc1C ZINC000450741198 1034746847 /nfs/dbraw/zinc/74/68/47/1034746847.db2.gz WLFLHXGHRXQXJX-GFCCVEGCSA-N 1 2 336.432 3.927 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000413662272 1034747720 /nfs/dbraw/zinc/74/77/20/1034747720.db2.gz ZIBDSVXBPPIHOR-QGZVFWFLSA-N 1 2 348.450 3.961 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000450767227 1034761136 /nfs/dbraw/zinc/76/11/36/1034761136.db2.gz ZFYOSKWFAGARGO-ZIAGYGMSSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000450767227 1034761148 /nfs/dbraw/zinc/76/11/48/1034761148.db2.gz ZFYOSKWFAGARGO-ZIAGYGMSSA-N 1 2 343.439 3.847 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3ccccc3F)CCCC2)c[nH+]1 ZINC000456845464 1034763788 /nfs/dbraw/zinc/76/37/88/1034763788.db2.gz IKKIHQOWONVLKT-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO CC(C)(C)C1CC[NH+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000172013476 1034772378 /nfs/dbraw/zinc/77/23/78/1034772378.db2.gz YYTQGTBBOQUCPL-UHFFFAOYSA-N 1 2 336.427 3.692 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC000450757129 1034778483 /nfs/dbraw/zinc/77/84/83/1034778483.db2.gz KTDSONATFZAZSB-GOSISDBHSA-N 1 2 334.423 3.777 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC000450757129 1034778495 /nfs/dbraw/zinc/77/84/95/1034778495.db2.gz KTDSONATFZAZSB-GOSISDBHSA-N 1 2 334.423 3.777 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCOc2ccccc2C(C)C)c[nH+]1 ZINC000456841536 1034788834 /nfs/dbraw/zinc/78/88/34/1034788834.db2.gz OWWJPBUUGXFUHZ-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)c1cccs1 ZINC000534664818 1034789151 /nfs/dbraw/zinc/78/91/51/1034789151.db2.gz AENFWWQNYQDROA-AWEZNQCLSA-N 1 2 328.481 3.719 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)c1cccs1 ZINC000534664818 1034789166 /nfs/dbraw/zinc/78/91/66/1034789166.db2.gz AENFWWQNYQDROA-AWEZNQCLSA-N 1 2 328.481 3.719 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000529939528 1034797275 /nfs/dbraw/zinc/79/72/75/1034797275.db2.gz WDBXMJWKEIDZNK-UHFFFAOYSA-N 1 2 343.858 3.630 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c[nH+]1 ZINC000456851632 1034809313 /nfs/dbraw/zinc/80/93/13/1034809313.db2.gz WTCGBABOXGGDFN-INIZCTEOSA-N 1 2 338.451 3.957 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000456855075 1034811291 /nfs/dbraw/zinc/81/12/91/1034811291.db2.gz ZEPICLBGHFCKPO-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)c2c(n1)onc2C(C)C ZINC000456857284 1034813201 /nfs/dbraw/zinc/81/32/01/1034813201.db2.gz KJWLJSBRDKLSGG-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO CCOc1ccccc1OCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456857897 1034815580 /nfs/dbraw/zinc/81/55/80/1034815580.db2.gz LBFFWBZGSSVPGQ-UHFFFAOYSA-N 1 2 342.439 3.573 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCc3ncc(Br)cc32)c1 ZINC000926659318 1034829982 /nfs/dbraw/zinc/82/99/82/1034829982.db2.gz HEHCGVXCYFWMMU-HNNXBMFYSA-N 1 2 348.244 3.875 20 0 EHADLO C[C@@H](c1ccc(C[N@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450849866 1034864118 /nfs/dbraw/zinc/86/41/18/1034864118.db2.gz ZSOYIMXUOLCFEQ-YRJUUEJZSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@@H](c1ccc(C[N@@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450849866 1034864123 /nfs/dbraw/zinc/86/41/23/1034864123.db2.gz ZSOYIMXUOLCFEQ-YRJUUEJZSA-N 1 2 333.419 3.694 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)n1 ZINC000450838684 1034868694 /nfs/dbraw/zinc/86/86/94/1034868694.db2.gz YHXJOAVMUCOAIA-SECBINFHSA-N 1 2 334.372 3.666 20 0 EHADLO FC(F)(F)c1cccc(C2CN(c3cc(N4CCCC4)[nH+]cn3)C2)c1 ZINC000450883337 1034912018 /nfs/dbraw/zinc/91/20/18/1034912018.db2.gz PSLMMNSFGPFMHE-UHFFFAOYSA-N 1 2 348.372 3.699 20 0 EHADLO FC(F)(F)c1cccc(C2CN(c3cc(N4CCCC4)nc[nH+]3)C2)c1 ZINC000450883337 1034912030 /nfs/dbraw/zinc/91/20/30/1034912030.db2.gz PSLMMNSFGPFMHE-UHFFFAOYSA-N 1 2 348.372 3.699 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)O1 ZINC000450913175 1034932657 /nfs/dbraw/zinc/93/26/57/1034932657.db2.gz YSUOEVUNBJRITE-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](CCc3cc(Cl)ccc3Cl)C2)O1 ZINC000450913175 1034932664 /nfs/dbraw/zinc/93/26/64/1034932664.db2.gz YSUOEVUNBJRITE-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095941 1034956147 /nfs/dbraw/zinc/95/61/47/1034956147.db2.gz PCHQLWHWOHFHIB-ZIAGYGMSSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095941 1034956157 /nfs/dbraw/zinc/95/61/57/1034956157.db2.gz PCHQLWHWOHFHIB-ZIAGYGMSSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095940 1034956934 /nfs/dbraw/zinc/95/69/34/1034956934.db2.gz PCHQLWHWOHFHIB-UONOGXRCSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095940 1034956942 /nfs/dbraw/zinc/95/69/42/1034956942.db2.gz PCHQLWHWOHFHIB-UONOGXRCSA-N 1 2 347.409 3.657 20 0 EHADLO Clc1ccccc1N1CCC[N@H+](Cc2cn3ccsc3n2)CC1 ZINC000450999112 1035019809 /nfs/dbraw/zinc/01/98/09/1035019809.db2.gz LFLWQUGDSDVJEF-UHFFFAOYSA-N 1 2 346.887 3.762 20 0 EHADLO Clc1ccccc1N1CCC[N@@H+](Cc2cn3ccsc3n2)CC1 ZINC000450999112 1035019815 /nfs/dbraw/zinc/01/98/15/1035019815.db2.gz LFLWQUGDSDVJEF-UHFFFAOYSA-N 1 2 346.887 3.762 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1c2c(sc1=O)CCCC2 ZINC000066078196 1035207697 /nfs/dbraw/zinc/20/76/97/1035207697.db2.gz PFTQRIIIUANDNJ-UHFFFAOYSA-N 1 2 341.480 3.528 20 0 EHADLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1c2c(sc1=O)CCCC2 ZINC000066078196 1035207700 /nfs/dbraw/zinc/20/77/00/1035207700.db2.gz PFTQRIIIUANDNJ-UHFFFAOYSA-N 1 2 341.480 3.528 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)N[C@@H](C)c3cccs3)CC2)s1 ZINC000376093560 1035249673 /nfs/dbraw/zinc/24/96/73/1035249673.db2.gz IKAODYRGNNHMQJ-ZDUSSCGKSA-N 1 2 349.525 3.570 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1cccc2ccccc21 ZINC000376119181 1035294725 /nfs/dbraw/zinc/29/47/25/1035294725.db2.gz WBRFVCZQUCEWDG-UHFFFAOYSA-N 1 2 333.435 3.574 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2nc3ccccc3cc2Cl)c1 ZINC000685824461 1035333039 /nfs/dbraw/zinc/33/30/39/1035333039.db2.gz IPFPIABPHQXMAI-UHFFFAOYSA-N 1 2 326.787 3.602 20 0 EHADLO O=C(C1CC[NH+](C/C(Cl)=C/Cl)CC1)N1CCc2ccccc21 ZINC000177715757 1035342704 /nfs/dbraw/zinc/34/27/04/1035342704.db2.gz SAFPOXNRRRZCFJ-PTNGSMBKSA-N 1 2 339.266 3.607 20 0 EHADLO COC1(C)CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000281356117 1035365844 /nfs/dbraw/zinc/36/58/44/1035365844.db2.gz RXSGQXUZBURINV-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO FC(F)(F)Oc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC001218010067 1035366229 /nfs/dbraw/zinc/36/62/29/1035366229.db2.gz KXCWJIVPEZHIEO-SNVBAGLBSA-N 1 2 331.668 3.615 20 0 EHADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000685839643 1035380344 /nfs/dbraw/zinc/38/03/44/1035380344.db2.gz YUMUNRKHQFOGSI-LBPRGKRZSA-N 1 2 326.227 3.678 20 0 EHADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000685839643 1035380348 /nfs/dbraw/zinc/38/03/48/1035380348.db2.gz YUMUNRKHQFOGSI-LBPRGKRZSA-N 1 2 326.227 3.678 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376183348 1035389635 /nfs/dbraw/zinc/38/96/35/1035389635.db2.gz XYQUZGNZUJMACI-KRWDZBQOSA-N 1 2 347.418 3.554 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431744938 1035410115 /nfs/dbraw/zinc/41/01/15/1035410115.db2.gz OIUZFGZAEHEQEX-HNNXBMFYSA-N 1 2 339.464 3.755 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cc2n(n1)CCC2 ZINC000414068302 1035434604 /nfs/dbraw/zinc/43/46/04/1035434604.db2.gz QUBIEQUNKZVRJK-LLVKDONJSA-N 1 2 325.334 3.579 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414073447 1035446547 /nfs/dbraw/zinc/44/65/47/1035446547.db2.gz MBNZFZMIVRKOJA-NEPJUHHUSA-N 1 2 334.441 3.740 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000177936643 1035454897 /nfs/dbraw/zinc/45/48/97/1035454897.db2.gz YPPWHFRCPWMVCX-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000177936643 1035454902 /nfs/dbraw/zinc/45/49/02/1035454902.db2.gz YPPWHFRCPWMVCX-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc2n(n1)CCC2 ZINC000414083947 1035463320 /nfs/dbraw/zinc/46/33/20/1035463320.db2.gz WRZYCZQLNRZZMK-AGRHKRQWSA-N 1 2 329.419 3.539 20 0 EHADLO CCc1ccc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000161741812 1035475452 /nfs/dbraw/zinc/47/54/52/1035475452.db2.gz XRSPPKDLLNLPFR-IEBWSBKVSA-N 1 2 325.456 3.521 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533827 1035548152 /nfs/dbraw/zinc/54/81/52/1035548152.db2.gz BXABUXZPRASBFZ-HZMBPMFUSA-N 1 2 343.324 3.537 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533827 1035548156 /nfs/dbraw/zinc/54/81/56/1035548156.db2.gz BXABUXZPRASBFZ-HZMBPMFUSA-N 1 2 343.324 3.537 20 0 EHADLO CCCCOc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1Cl ZINC000571568102 1035557515 /nfs/dbraw/zinc/55/75/15/1035557515.db2.gz KEXOPBYMRCXZMI-CQSZACIVSA-N 1 2 349.862 3.983 20 0 EHADLO CC(C)O[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000431800901 1035583122 /nfs/dbraw/zinc/58/31/22/1035583122.db2.gz MRXMEHHRDSFDEX-LJQANCHMSA-N 1 2 335.407 3.977 20 0 EHADLO Cc1nc(C[NH2+]C[C@@](C)(O)C(F)(F)F)oc1-c1ccc(Cl)cc1 ZINC000571671158 1035583664 /nfs/dbraw/zinc/58/36/64/1035583664.db2.gz UIMVPZGSXRWYOY-CQSZACIVSA-N 1 2 348.752 3.706 20 0 EHADLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000511487435 1035614554 /nfs/dbraw/zinc/61/45/54/1035614554.db2.gz KVRWJLYYSVTDRT-PEZBUJJGSA-N 1 2 340.492 3.918 20 0 EHADLO c1ccc(C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)c2cccnc2)nc1 ZINC000540758979 1035650500 /nfs/dbraw/zinc/65/05/00/1035650500.db2.gz QFKQZVVJMOFYNR-HXUWFJFHSA-N 1 2 345.450 3.868 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+]2CCc3c(C)cc(C)cc3C2)o1 ZINC000186731584 1035695252 /nfs/dbraw/zinc/69/52/52/1035695252.db2.gz GWPQSKURSFPXLK-UHFFFAOYSA-N 1 2 349.434 3.920 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+]2CCc3c(C)cc(C)cc3C2)o1 ZINC000186731584 1035695260 /nfs/dbraw/zinc/69/52/60/1035695260.db2.gz GWPQSKURSFPXLK-UHFFFAOYSA-N 1 2 349.434 3.920 20 0 EHADLO COCc1cnc(CNc2[nH+]c3ccccc3n2C2CCCC2)s1 ZINC000540808133 1035699752 /nfs/dbraw/zinc/69/97/52/1035699752.db2.gz WDJPOFBTUVPLBF-UHFFFAOYSA-N 1 2 342.468 3.788 20 0 EHADLO CCN1C[C@H](C[N@H+](C)Cc2csc(C(C)C)n2)Oc2ccccc21 ZINC000613387912 1035716117 /nfs/dbraw/zinc/71/61/17/1035716117.db2.gz JQHXIZVXKIUBHO-INIZCTEOSA-N 1 2 345.512 3.986 20 0 EHADLO CCN1C[C@H](C[N@@H+](C)Cc2csc(C(C)C)n2)Oc2ccccc21 ZINC000613387912 1035716135 /nfs/dbraw/zinc/71/61/35/1035716135.db2.gz JQHXIZVXKIUBHO-INIZCTEOSA-N 1 2 345.512 3.986 20 0 EHADLO CC(C)c1cc(NCc2nnc(C(C)(C)C)s2)nc(C(C)C)[nH+]1 ZINC000534876931 1035716696 /nfs/dbraw/zinc/71/66/96/1035716696.db2.gz DMMNINFXAKTJIW-UHFFFAOYSA-N 1 2 333.505 3.906 20 0 EHADLO COc1ccc(-c2ccncc2)cc1CNc1ccc(N(C)C)c[nH+]1 ZINC000187308044 1035788243 /nfs/dbraw/zinc/78/82/43/1035788243.db2.gz OPCZJKDOPLXFKH-UHFFFAOYSA-N 1 2 334.423 3.830 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)s1 ZINC000414150282 1035788519 /nfs/dbraw/zinc/78/85/19/1035788519.db2.gz OVHBRHVXZRSAKX-TZMCWYRMSA-N 1 2 345.468 3.552 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000588236564 1035831404 /nfs/dbraw/zinc/83/14/04/1035831404.db2.gz HXEHBQFCFDXJMQ-LJQANCHMSA-N 1 2 326.440 3.855 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000588236564 1035831426 /nfs/dbraw/zinc/83/14/26/1035831426.db2.gz HXEHBQFCFDXJMQ-LJQANCHMSA-N 1 2 326.440 3.855 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1n[nH]cc1Br)CCC2 ZINC000534975147 1035850357 /nfs/dbraw/zinc/85/03/57/1035850357.db2.gz FNSCKURHWSLQSX-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccn(C)n1 ZINC000414171257 1035875109 /nfs/dbraw/zinc/87/51/09/1035875109.db2.gz CZCOOEYRHFNOCE-VHSXEESVSA-N 1 2 326.213 3.734 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)no1 ZINC000541022989 1035907866 /nfs/dbraw/zinc/90/78/66/1035907866.db2.gz KDBBABZADXIWEP-YWZLYKJASA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)no1 ZINC000541022989 1035907883 /nfs/dbraw/zinc/90/78/83/1035907883.db2.gz KDBBABZADXIWEP-YWZLYKJASA-N 1 2 325.456 3.981 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC(C)(C)C2CC2)C[C@@H](C)O1 ZINC000535039613 1035919661 /nfs/dbraw/zinc/91/96/61/1035919661.db2.gz DNPRHZCOUGDLDZ-HUUCEWRRSA-N 1 2 345.487 3.606 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2ncc(-c3ccccc3F)o2)cc1 ZINC000541052746 1035946897 /nfs/dbraw/zinc/94/68/97/1035946897.db2.gz IEPPLPLIGNKAGA-GOSISDBHSA-N 1 2 340.398 3.866 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000541054091 1035950026 /nfs/dbraw/zinc/95/00/26/1035950026.db2.gz KZROOKRNXPECMO-QGZVFWFLSA-N 1 2 344.361 3.751 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000613464268 1035961898 /nfs/dbraw/zinc/96/18/98/1035961898.db2.gz NENBEEILSNQXNK-GJZGRUSLSA-N 1 2 326.415 3.796 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000613464268 1035961901 /nfs/dbraw/zinc/96/19/01/1035961901.db2.gz NENBEEILSNQXNK-GJZGRUSLSA-N 1 2 326.415 3.796 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000572111648 1035998874 /nfs/dbraw/zinc/99/88/74/1035998874.db2.gz NMTYDLXBZQLSHU-MOPGFXCFSA-N 1 2 340.471 3.546 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000572111649 1036000100 /nfs/dbraw/zinc/00/01/00/1036000100.db2.gz NMTYDLXBZQLSHU-OALUTQOASA-N 1 2 340.471 3.546 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000188966566 1036021764 /nfs/dbraw/zinc/02/17/64/1036021764.db2.gz KXDVHYQPNRELTN-HNNXBMFYSA-N 1 2 347.507 3.663 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613484099 1036038991 /nfs/dbraw/zinc/03/89/91/1036038991.db2.gz HSRFNWPTFLMWLG-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613484099 1036039014 /nfs/dbraw/zinc/03/90/14/1036039014.db2.gz HSRFNWPTFLMWLG-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000613486312 1036045112 /nfs/dbraw/zinc/04/51/12/1036045112.db2.gz ZORVCDXFNPTPKP-INIZCTEOSA-N 1 2 338.451 3.537 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000613486312 1036045133 /nfs/dbraw/zinc/04/51/33/1036045133.db2.gz ZORVCDXFNPTPKP-INIZCTEOSA-N 1 2 338.451 3.537 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000613486313 1036045409 /nfs/dbraw/zinc/04/54/09/1036045409.db2.gz ZORVCDXFNPTPKP-MRXNPFEDSA-N 1 2 338.451 3.537 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000613486313 1036045432 /nfs/dbraw/zinc/04/54/32/1036045432.db2.gz ZORVCDXFNPTPKP-MRXNPFEDSA-N 1 2 338.451 3.537 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(-c2ccccc2)ccc1Cl ZINC000174749985 1036090001 /nfs/dbraw/zinc/09/00/01/1036090001.db2.gz LKZIQIHBUNGRRJ-UHFFFAOYSA-N 1 2 325.799 3.703 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541220930 1036099588 /nfs/dbraw/zinc/09/95/88/1036099588.db2.gz FKMIPOODDORGNE-CQSZACIVSA-N 1 2 349.780 3.818 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541220930 1036099608 /nfs/dbraw/zinc/09/96/08/1036099608.db2.gz FKMIPOODDORGNE-CQSZACIVSA-N 1 2 349.780 3.818 20 0 EHADLO CCc1ccc(/C=C/C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000492636459 1036102691 /nfs/dbraw/zinc/10/26/91/1036102691.db2.gz WLHNUCYGPVSXRJ-BQYQJAHWSA-N 1 2 341.455 3.771 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000457480519 1036152967 /nfs/dbraw/zinc/15/29/67/1036152967.db2.gz JHZWBNJSIOGJPS-RYUDHWBXSA-N 1 2 345.459 3.995 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000457480519 1036152972 /nfs/dbraw/zinc/15/29/72/1036152972.db2.gz JHZWBNJSIOGJPS-RYUDHWBXSA-N 1 2 345.459 3.995 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000535192512 1036172727 /nfs/dbraw/zinc/17/27/27/1036172727.db2.gz XCBKRKZUQNEEKW-INIZCTEOSA-N 1 2 345.487 3.772 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c(C)[nH+]1 ZINC000175101971 1036185259 /nfs/dbraw/zinc/18/52/59/1036185259.db2.gz OQFXMNIHKYTWRA-UHFFFAOYSA-N 1 2 337.423 3.537 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3[nH]ccc3C3CC3)n2)CC1 ZINC000457494754 1036191202 /nfs/dbraw/zinc/19/12/02/1036191202.db2.gz YPBBCMFFELGAFD-UHFFFAOYSA-N 1 2 344.484 3.833 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC(C)C)cc1 ZINC000464353258 1036366626 /nfs/dbraw/zinc/36/66/26/1036366626.db2.gz FBOHFMGFNBSFMD-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO C/C=C(/C=C\C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000492896661 1036384077 /nfs/dbraw/zinc/38/40/77/1036384077.db2.gz LIVCOPQKSDQKNB-DJOLKNRESA-N 1 2 327.472 3.838 20 0 EHADLO Cc1cnn([C@H]2CCC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000572607622 1036397708 /nfs/dbraw/zinc/39/77/08/1036397708.db2.gz DUJYMECDOCAEHU-KRWDZBQOSA-N 1 2 337.471 3.800 20 0 EHADLO Cc1cnn([C@H]2CCC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000572607622 1036397727 /nfs/dbraw/zinc/39/77/27/1036397727.db2.gz DUJYMECDOCAEHU-KRWDZBQOSA-N 1 2 337.471 3.800 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(OC)c(O)c3)CCO2)cc1 ZINC000191666331 1036402867 /nfs/dbraw/zinc/40/28/67/1036402867.db2.gz GGZOBKROVOIPPW-HXUWFJFHSA-N 1 2 327.424 3.537 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)c(O)c3)CCO2)cc1 ZINC000191666331 1036402877 /nfs/dbraw/zinc/40/28/77/1036402877.db2.gz GGZOBKROVOIPPW-HXUWFJFHSA-N 1 2 327.424 3.537 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175562267 1036408078 /nfs/dbraw/zinc/40/80/78/1036408078.db2.gz ZXUGTZBBNVXKKR-JKSUJKDBSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192108208 1036474814 /nfs/dbraw/zinc/47/48/14/1036474814.db2.gz YCWUKIVYMZAEEE-AWEZNQCLSA-N 1 2 348.454 3.648 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192108208 1036474826 /nfs/dbraw/zinc/47/48/26/1036474826.db2.gz YCWUKIVYMZAEEE-AWEZNQCLSA-N 1 2 348.454 3.648 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(C)cc1 ZINC000492973930 1036481796 /nfs/dbraw/zinc/48/17/96/1036481796.db2.gz PIRCWEKTTYVKLR-VAWYXSNFSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1ccc(C2(CNC(=O)CCCn3cc[nH+]c3)CCCC2)c(C)c1 ZINC000647516515 1036482943 /nfs/dbraw/zinc/48/29/43/1036482943.db2.gz QQGYHIBOTXSBBO-UHFFFAOYSA-N 1 2 339.483 3.908 20 0 EHADLO Cc1cc(OCC(=O)N[C@@H]2CCOc3ccccc32)c2ccccc2[nH+]1 ZINC000192193234 1036487076 /nfs/dbraw/zinc/48/70/76/1036487076.db2.gz DTSITEZCUSRICG-GOSISDBHSA-N 1 2 348.402 3.562 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000669971121 1036497266 /nfs/dbraw/zinc/49/72/66/1036497266.db2.gz UPDXRLAZYFTHEF-VQTJNVASSA-N 1 2 347.462 3.668 20 0 EHADLO CC(C)(C)n1nnnc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000464477773 1036505796 /nfs/dbraw/zinc/50/57/96/1036505796.db2.gz CBUZEKOGWSVXIZ-QGZVFWFLSA-N 1 2 331.439 3.588 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000493003564 1036510709 /nfs/dbraw/zinc/51/07/09/1036510709.db2.gz IHTKVRBFQAAVSN-FPLPWBNLSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)c1csnn1 ZINC000414301353 1036527792 /nfs/dbraw/zinc/52/77/92/1036527792.db2.gz LTFSMMWPIVAJSQ-PRHODGIISA-N 1 2 329.347 3.775 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000541658261 1036544476 /nfs/dbraw/zinc/54/44/76/1036544476.db2.gz FVFVDYHEYOGTOI-LLVKDONJSA-N 1 2 335.448 3.869 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC000376407153 1036565565 /nfs/dbraw/zinc/56/55/65/1036565565.db2.gz HBOYHJBWRJNALX-INIZCTEOSA-N 1 2 344.503 3.812 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000170955975 1036570659 /nfs/dbraw/zinc/57/06/59/1036570659.db2.gz MRUGQIWYQHOWAW-CYBMUJFWSA-N 1 2 346.377 3.846 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000170955975 1036570672 /nfs/dbraw/zinc/57/06/72/1036570672.db2.gz MRUGQIWYQHOWAW-CYBMUJFWSA-N 1 2 346.377 3.846 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)CC2(CCc3ccccc3)CCCC2)c1 ZINC000457863168 1036586128 /nfs/dbraw/zinc/58/61/28/1036586128.db2.gz SGHBBPJYEHUJIO-UHFFFAOYSA-N 1 2 339.483 3.662 20 0 EHADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC000176302472 1036596841 /nfs/dbraw/zinc/59/68/41/1036596841.db2.gz CRUXYKXYRVOPJY-LLVKDONJSA-N 1 2 342.424 3.801 20 0 EHADLO c1ccc(-c2ncc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)cn2)cc1 ZINC000541734772 1036602848 /nfs/dbraw/zinc/60/28/48/1036602848.db2.gz RWBWHJJMDCPGCR-FQEVSTJZSA-N 1 2 337.467 3.925 20 0 EHADLO c1ccc(-c2ncc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)cn2)cc1 ZINC000541734772 1036602859 /nfs/dbraw/zinc/60/28/59/1036602859.db2.gz RWBWHJJMDCPGCR-FQEVSTJZSA-N 1 2 337.467 3.925 20 0 EHADLO COCc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2cc(F)ccc2n1 ZINC000685907121 1036636209 /nfs/dbraw/zinc/63/62/09/1036636209.db2.gz DUXZTONVEGJHOE-INIZCTEOSA-N 1 2 340.402 3.558 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000493074689 1036640005 /nfs/dbraw/zinc/64/00/05/1036640005.db2.gz VIBWDAIELSEVNK-PSKZRQQASA-N 1 2 349.356 3.848 20 0 EHADLO Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c(Br)n1 ZINC000165592484 1036646012 /nfs/dbraw/zinc/64/60/12/1036646012.db2.gz AGNYICPORXLMRI-UHFFFAOYSA-N 1 2 334.217 3.725 20 0 EHADLO CC(C)c1cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000535592603 1036695687 /nfs/dbraw/zinc/69/56/87/1036695687.db2.gz DOXMDLMCLRWASH-AWEZNQCLSA-N 1 2 333.476 3.891 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000532406813 1036716387 /nfs/dbraw/zinc/71/63/87/1036716387.db2.gz JZNSFZYPGUMYRC-MRXNPFEDSA-N 1 2 344.455 3.591 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000532406813 1036716397 /nfs/dbraw/zinc/71/63/97/1036716397.db2.gz JZNSFZYPGUMYRC-MRXNPFEDSA-N 1 2 344.455 3.591 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000414329489 1036723365 /nfs/dbraw/zinc/72/33/65/1036723365.db2.gz BGAGSWGSPIUUQH-WDSOQIARSA-N 1 2 340.471 3.828 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462263300 1036760037 /nfs/dbraw/zinc/76/00/37/1036760037.db2.gz WUHQXELVAYDXBB-AQMVCYDESA-N 1 2 338.854 3.777 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462263300 1036760054 /nfs/dbraw/zinc/76/00/54/1036760054.db2.gz WUHQXELVAYDXBB-AQMVCYDESA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000102687038 1036773793 /nfs/dbraw/zinc/77/37/93/1036773793.db2.gz GZSQPIKZZDBDDF-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO Cc1noc(C)c1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000584511710 1036822032 /nfs/dbraw/zinc/82/20/32/1036822032.db2.gz JNEFMKMVIZTLMT-CQSZACIVSA-N 1 2 332.791 3.646 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000669828401 1036826164 /nfs/dbraw/zinc/82/61/64/1036826164.db2.gz LPXSVBBEHJCZLO-HNNXBMFYSA-N 1 2 336.439 3.967 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000669828401 1036826184 /nfs/dbraw/zinc/82/61/84/1036826184.db2.gz LPXSVBBEHJCZLO-HNNXBMFYSA-N 1 2 336.439 3.967 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177782091 1036932873 /nfs/dbraw/zinc/93/28/73/1036932873.db2.gz RKRVGFHETPUWHF-NRFANRHFSA-N 1 2 348.450 3.598 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(SC)cc3)CCO2)c1 ZINC000177901097 1036965143 /nfs/dbraw/zinc/96/51/43/1036965143.db2.gz XFJVWQTVNRPUSW-LJQANCHMSA-N 1 2 329.465 3.991 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(SC)cc3)CCO2)c1 ZINC000177901097 1036965160 /nfs/dbraw/zinc/96/51/60/1036965160.db2.gz XFJVWQTVNRPUSW-LJQANCHMSA-N 1 2 329.465 3.991 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000590653489 1036993371 /nfs/dbraw/zinc/99/33/71/1036993371.db2.gz RLBCXAHXKLJBMP-UHFFFAOYSA-N 1 2 342.508 3.905 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590726257 1037005560 /nfs/dbraw/zinc/00/55/60/1037005560.db2.gz AJTKVYMUEOBPOO-AEFFLSMTSA-N 1 2 341.455 3.638 20 0 EHADLO CCCC[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000590688902 1037006303 /nfs/dbraw/zinc/00/63/03/1037006303.db2.gz GNQKAHSSDMLVGO-GOSISDBHSA-N 1 2 329.444 3.720 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(-c3cccs3)on2)ccc1O ZINC000104195357 1037008012 /nfs/dbraw/zinc/00/80/12/1037008012.db2.gz BCWPCTPOTHRIOZ-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(-c3cccs3)on2)ccc1O ZINC000104195357 1037008030 /nfs/dbraw/zinc/00/80/30/1037008030.db2.gz BCWPCTPOTHRIOZ-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590730973 1037032263 /nfs/dbraw/zinc/03/22/63/1037032263.db2.gz JATVFZBTNSLDFZ-CQSZACIVSA-N 1 2 338.238 3.596 20 0 EHADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000590730755 1037032351 /nfs/dbraw/zinc/03/23/51/1037032351.db2.gz MSHYKRJQXZPIEK-GOSISDBHSA-N 1 2 341.430 3.698 20 0 EHADLO O=S(=O)(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc(F)cc1 ZINC000176582175 1037051271 /nfs/dbraw/zinc/05/12/71/1037051271.db2.gz GEPWLRYIXVISES-UHFFFAOYSA-N 1 2 345.399 3.770 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613537408 1037061248 /nfs/dbraw/zinc/06/12/48/1037061248.db2.gz LTYJFUMXMQZGCL-ZCDKGFTFSA-N 1 2 337.467 3.600 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590799482 1037063290 /nfs/dbraw/zinc/06/32/90/1037063290.db2.gz CLHFNFDFMZAVLO-AWEZNQCLSA-N 1 2 338.333 3.771 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CCO[C@H](C4CC4)C3)c21 ZINC000642227657 1037076332 /nfs/dbraw/zinc/07/63/32/1037076332.db2.gz YTZZKNHJTRXFJJ-DOMZBBRYSA-N 1 2 326.375 3.620 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000590846137 1037080739 /nfs/dbraw/zinc/08/07/39/1037080739.db2.gz LNHMPRZXGOHBES-MSOLQXFVSA-N 1 2 326.444 3.689 20 0 EHADLO CC(=O)Nc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000761511700 1037085104 /nfs/dbraw/zinc/08/51/04/1037085104.db2.gz OCHUPWTTWMLYKN-UHFFFAOYSA-N 1 2 345.362 3.548 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590871115 1037107969 /nfs/dbraw/zinc/10/79/69/1037107969.db2.gz OBHMXXNEBUWWIW-RCCFBDPRSA-N 1 2 332.492 3.835 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000105080431 1037147984 /nfs/dbraw/zinc/14/79/84/1037147984.db2.gz QWXMJZLXBKTYGS-CQSZACIVSA-N 1 2 346.862 3.988 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057823151 1037208652 /nfs/dbraw/zinc/20/86/52/1037208652.db2.gz FGRPFEOTQQQYLH-GOSISDBHSA-N 1 2 325.456 3.789 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057823151 1037208665 /nfs/dbraw/zinc/20/86/65/1037208665.db2.gz FGRPFEOTQQQYLH-GOSISDBHSA-N 1 2 325.456 3.789 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C)c3)c2C1 ZINC000105592013 1037217084 /nfs/dbraw/zinc/21/70/84/1037217084.db2.gz VUCNIVFRTOLILD-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C)c3)c2C1 ZINC000105592013 1037217093 /nfs/dbraw/zinc/21/70/93/1037217093.db2.gz VUCNIVFRTOLILD-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC000057862560 1037217439 /nfs/dbraw/zinc/21/74/39/1037217439.db2.gz YZLIGDPXAHJGHB-AWEZNQCLSA-N 1 2 339.505 3.537 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC000057862560 1037217446 /nfs/dbraw/zinc/21/74/46/1037217446.db2.gz YZLIGDPXAHJGHB-AWEZNQCLSA-N 1 2 339.505 3.537 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1Oc1ccccc1 ZINC000462653371 1037240237 /nfs/dbraw/zinc/24/02/37/1037240237.db2.gz DJRJWDPIOUGSHW-CZUORRHYSA-N 1 2 346.377 3.653 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)c2cccn2C)CC1 ZINC000177092643 1037367119 /nfs/dbraw/zinc/36/71/19/1037367119.db2.gz YLQMNZGEJBLSOC-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)c2cccn2C)CC1 ZINC000177092643 1037367137 /nfs/dbraw/zinc/36/71/37/1037367137.db2.gz YLQMNZGEJBLSOC-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401178 1037373072 /nfs/dbraw/zinc/37/30/72/1037373072.db2.gz VSIWMVOZXCKLIG-CJNGLKHVSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401178 1037373090 /nfs/dbraw/zinc/37/30/90/1037373090.db2.gz VSIWMVOZXCKLIG-CJNGLKHVSA-N 1 2 335.494 3.530 20 0 EHADLO CS[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301470522 1037384543 /nfs/dbraw/zinc/38/45/43/1037384543.db2.gz OSPFYHXPPOJPMV-OCCSQVGLSA-N 1 2 325.441 3.512 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000303438325 1037406984 /nfs/dbraw/zinc/40/69/84/1037406984.db2.gz AGUHVYFZIQYSFD-XIKOKIGWSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000303438325 1037406994 /nfs/dbraw/zinc/40/69/94/1037406994.db2.gz AGUHVYFZIQYSFD-XIKOKIGWSA-N 1 2 348.368 3.902 20 0 EHADLO O=C(/C=C\c1cscn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000491398549 1037439852 /nfs/dbraw/zinc/43/98/52/1037439852.db2.gz BWMZDCBYTLYHLF-RQOWECAXSA-N 1 2 330.800 3.634 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C(=O)C(C)C)cc3)[nH+]c12 ZINC000573321135 1037463213 /nfs/dbraw/zinc/46/32/13/1037463213.db2.gz VVDNJLIRVTZNAE-UHFFFAOYSA-N 1 2 335.407 3.663 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCCC2CCCC2)c1)[NH+]1CCOCC1 ZINC000591524321 1037475523 /nfs/dbraw/zinc/47/55/23/1037475523.db2.gz VLFIQDWJLUGPMR-MRXNPFEDSA-N 1 2 345.487 3.782 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000591538521 1037480470 /nfs/dbraw/zinc/48/04/70/1037480470.db2.gz LUWHPDDWGHQNMJ-HNNXBMFYSA-N 1 2 328.460 3.630 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](CC)[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000505615348 1037496236 /nfs/dbraw/zinc/49/62/36/1037496236.db2.gz ZBTJIYKGZOZWER-KRWDZBQOSA-N 1 2 347.480 3.518 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](CC)[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000505615348 1037496249 /nfs/dbraw/zinc/49/62/49/1037496249.db2.gz ZBTJIYKGZOZWER-KRWDZBQOSA-N 1 2 347.480 3.518 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)no1)c1cccs1 ZINC000177400073 1037503288 /nfs/dbraw/zinc/50/32/88/1037503288.db2.gz DHOUPAMBAMZISS-CYBMUJFWSA-N 1 2 343.408 3.629 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1)c1cccs1 ZINC000177400073 1037503300 /nfs/dbraw/zinc/50/33/00/1037503300.db2.gz DHOUPAMBAMZISS-CYBMUJFWSA-N 1 2 343.408 3.629 20 0 EHADLO CC(C)Oc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491480860 1037503196 /nfs/dbraw/zinc/50/31/96/1037503196.db2.gz ZITRMRHLBIMGNO-CGQZWFTASA-N 1 2 339.439 3.616 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001625979158 1037504510 /nfs/dbraw/zinc/50/45/10/1037504510.db2.gz RRSFMMDWIDTVBB-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c2ncccc12 ZINC000193590388 1037523642 /nfs/dbraw/zinc/52/36/42/1037523642.db2.gz ZXTOJAOMXDUSQW-CYBMUJFWSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c2ncccc12 ZINC000193590388 1037523648 /nfs/dbraw/zinc/52/36/48/1037523648.db2.gz ZXTOJAOMXDUSQW-CYBMUJFWSA-N 1 2 326.831 3.991 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591593438 1037535967 /nfs/dbraw/zinc/53/59/67/1037535967.db2.gz LFVQHOBOVWFXNT-IAGOWNOFSA-N 1 2 332.492 3.932 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)CC2CCCC2)nc1-c1ccncc1 ZINC000058207547 1037653963 /nfs/dbraw/zinc/65/39/63/1037653963.db2.gz SXUUDAGQTCOQBW-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)CC2CCCC2)nc1-c1ccncc1 ZINC000058207547 1037653971 /nfs/dbraw/zinc/65/39/71/1037653971.db2.gz SXUUDAGQTCOQBW-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812930 1037655655 /nfs/dbraw/zinc/65/56/55/1037655655.db2.gz CRQLZBKMFUSEKI-HOCLYGCPSA-N 1 2 329.444 3.892 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812930 1037655667 /nfs/dbraw/zinc/65/56/67/1037655667.db2.gz CRQLZBKMFUSEKI-HOCLYGCPSA-N 1 2 329.444 3.892 20 0 EHADLO CSCC[C@@H](Nc1cc[nH+]c(OCc2ccccc2)c1)C(C)(C)O ZINC001168213562 1037680117 /nfs/dbraw/zinc/68/01/17/1037680117.db2.gz HPLGKNRMJOLNRP-QGZVFWFLSA-N 1 2 346.496 3.965 20 0 EHADLO CCOC(=O)CCC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000591925315 1037696869 /nfs/dbraw/zinc/69/68/69/1037696869.db2.gz LSOGUVSSMUAGRZ-UHFFFAOYSA-N 1 2 330.403 3.934 20 0 EHADLO O=C(/C=C/c1cccc(-c2ccccc2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000491852168 1037717093 /nfs/dbraw/zinc/71/70/93/1037717093.db2.gz WVOUXSUJHZIBPG-MDZDMXLPSA-N 1 2 329.403 3.647 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540223394 1037725388 /nfs/dbraw/zinc/72/53/88/1037725388.db2.gz ILYXSRCYEYPTJE-DAXOMENPSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540223394 1037725403 /nfs/dbraw/zinc/72/54/03/1037725403.db2.gz ILYXSRCYEYPTJE-DAXOMENPSA-N 1 2 338.854 3.777 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000540337995 1037812464 /nfs/dbraw/zinc/81/24/64/1037812464.db2.gz IHHCOXADPDQJLU-MRXNPFEDSA-N 1 2 349.471 3.991 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000540337995 1037812469 /nfs/dbraw/zinc/81/24/69/1037812469.db2.gz IHHCOXADPDQJLU-MRXNPFEDSA-N 1 2 349.471 3.991 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1c(F)cccc1F ZINC000540324372 1037818596 /nfs/dbraw/zinc/81/85/96/1037818596.db2.gz ANNHYEAIROPMCQ-SECBINFHSA-N 1 2 326.293 3.532 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000378079097 1037850430 /nfs/dbraw/zinc/85/04/30/1037850430.db2.gz ZKSUVCPKEZNZTH-KRWDZBQOSA-N 1 2 337.467 3.556 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081476 1037858190 /nfs/dbraw/zinc/85/81/90/1037858190.db2.gz YMSHSAWJNDACAA-HZPDHXFCSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081476 1037858196 /nfs/dbraw/zinc/85/81/96/1037858196.db2.gz YMSHSAWJNDACAA-HZPDHXFCSA-N 1 2 329.831 3.573 20 0 EHADLO Clc1cccc(Cl)c1C1(NCC[N@@H+]2CCCOCC2)CCC1 ZINC000463198091 1037864289 /nfs/dbraw/zinc/86/42/89/1037864289.db2.gz TXKKHOLDEUFRIP-UHFFFAOYSA-N 1 2 343.298 3.685 20 0 EHADLO Clc1cccc(Cl)c1C1(NCC[N@H+]2CCCOCC2)CCC1 ZINC000463198091 1037864310 /nfs/dbraw/zinc/86/43/10/1037864310.db2.gz TXKKHOLDEUFRIP-UHFFFAOYSA-N 1 2 343.298 3.685 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]Cc1nc(CCOC)no1)c1ccc(Cl)cc1 ZINC000540388475 1037877194 /nfs/dbraw/zinc/87/71/94/1037877194.db2.gz QGBZYYQAQQOLDY-SJCJKPOMSA-N 1 2 337.851 3.789 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1F ZINC000492023150 1037881010 /nfs/dbraw/zinc/88/10/10/1037881010.db2.gz KQABPAROIAZYCP-UHFFFAOYSA-N 1 2 332.297 3.866 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000463218877 1037890199 /nfs/dbraw/zinc/89/01/99/1037890199.db2.gz NFTCPFYTLWFISD-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccc(C)c(F)c2)c1C ZINC000058466567 1037949248 /nfs/dbraw/zinc/94/92/48/1037949248.db2.gz AJFUEKOQSAOAJW-UHFFFAOYSA-N 1 2 347.459 3.983 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC001168244388 1037975380 /nfs/dbraw/zinc/97/53/80/1037975380.db2.gz NFTGENYPAGECBB-INIZCTEOSA-N 1 2 331.456 3.906 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC001168244388 1037975394 /nfs/dbraw/zinc/97/53/94/1037975394.db2.gz NFTGENYPAGECBB-INIZCTEOSA-N 1 2 331.456 3.906 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000532626809 1037978095 /nfs/dbraw/zinc/97/80/95/1037978095.db2.gz HMDBFGUZOQNGPI-OAQYLSRUSA-N 1 2 349.409 3.847 20 0 EHADLO Cc1cccc(OC[C@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000040313409 1038008457 /nfs/dbraw/zinc/00/84/57/1038008457.db2.gz ZRZWICCUJIIJCN-QGZVFWFLSA-N 1 2 341.407 3.623 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000431856363 1038009168 /nfs/dbraw/zinc/00/91/68/1038009168.db2.gz DQQFYNIHFWSRER-UHFFFAOYSA-N 1 2 328.460 3.744 20 0 EHADLO COC1(CC[N@@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CCC1 ZINC000646146323 1038036336 /nfs/dbraw/zinc/03/63/36/1038036336.db2.gz URWDJRZRFHJYIN-HNNXBMFYSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(CC[N@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CCC1 ZINC000646146323 1038036355 /nfs/dbraw/zinc/03/63/55/1038036355.db2.gz URWDJRZRFHJYIN-HNNXBMFYSA-N 1 2 327.827 3.812 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n(C)n1 ZINC000173357462 1038053219 /nfs/dbraw/zinc/05/32/19/1038053219.db2.gz XHTNVMQWCMNXPB-UHFFFAOYSA-N 1 2 343.818 3.635 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1cc(Cl)ccc1Cl ZINC000492181400 1038065445 /nfs/dbraw/zinc/06/54/45/1038065445.db2.gz MAZWNRLEMCPORT-UTCJRWHESA-N 1 2 338.238 3.752 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@@H]1C ZINC000188110644 1038066064 /nfs/dbraw/zinc/06/60/64/1038066064.db2.gz XPMGMDIGVHSKRB-JQWIXIFHSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@@H]1C ZINC000188110644 1038066085 /nfs/dbraw/zinc/06/60/85/1038066085.db2.gz XPMGMDIGVHSKRB-JQWIXIFHSA-N 1 2 346.254 3.633 20 0 EHADLO CCn1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000124172391 1038146798 /nfs/dbraw/zinc/14/67/98/1038146798.db2.gz BQCMREDJCVSMLL-KXBFYZLASA-N 1 2 336.439 3.581 20 0 EHADLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000180414992 1038169262 /nfs/dbraw/zinc/16/92/62/1038169262.db2.gz OUAWNAKYRQYCBH-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000180414992 1038169266 /nfs/dbraw/zinc/16/92/66/1038169266.db2.gz OUAWNAKYRQYCBH-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(C)c1 ZINC000124582126 1038206217 /nfs/dbraw/zinc/20/62/17/1038206217.db2.gz OVPGPCDPHJLHEU-FZKQIMNGSA-N 1 2 326.831 3.909 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCCc3ccccc32)s1 ZINC000106877518 1038237815 /nfs/dbraw/zinc/23/78/15/1038237815.db2.gz PSIMRVAZVPVEGO-CQSZACIVSA-N 1 2 343.496 3.732 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCCc3ccccc32)s1 ZINC000106877518 1038237829 /nfs/dbraw/zinc/23/78/29/1038237829.db2.gz PSIMRVAZVPVEGO-CQSZACIVSA-N 1 2 343.496 3.732 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124924747 1038254894 /nfs/dbraw/zinc/25/48/94/1038254894.db2.gz FFDFOCSCQPXLDQ-GOSISDBHSA-N 1 2 344.503 3.661 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCc1ccccc1)c1ccccc1 ZINC000378239105 1038278848 /nfs/dbraw/zinc/27/88/48/1038278848.db2.gz VDDOMRTYPPZYSY-LJQANCHMSA-N 1 2 345.446 3.721 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@H]2Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000532646292 1038308527 /nfs/dbraw/zinc/30/85/27/1038308527.db2.gz HMXUIFPOYMIPGN-HNNXBMFYSA-N 1 2 339.826 3.806 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@H]2Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000532646292 1038308542 /nfs/dbraw/zinc/30/85/42/1038308542.db2.gz HMXUIFPOYMIPGN-HNNXBMFYSA-N 1 2 339.826 3.806 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3c4ccccc4CC[C@H]3C)[nH+]c12 ZINC000538696190 1038473598 /nfs/dbraw/zinc/47/35/98/1038473598.db2.gz KTYFQHZPCHNFIQ-JLTOFOAXSA-N 1 2 333.435 3.625 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1csc2ccccc12 ZINC000538714486 1038486109 /nfs/dbraw/zinc/48/61/09/1038486109.db2.gz GLUPDRXILSCLGC-UHFFFAOYSA-N 1 2 340.452 3.798 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000378340281 1038488460 /nfs/dbraw/zinc/48/84/60/1038488460.db2.gz POSYIJMRXJBTAA-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000378340281 1038488465 /nfs/dbraw/zinc/48/84/65/1038488465.db2.gz POSYIJMRXJBTAA-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO COc1sc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1Br ZINC000538727288 1038494112 /nfs/dbraw/zinc/49/41/12/1038494112.db2.gz GVIHXTDHCCAEQP-BDAKNGLRSA-N 1 2 336.320 3.845 20 0 EHADLO COc1sc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1Br ZINC000538727288 1038494116 /nfs/dbraw/zinc/49/41/16/1038494116.db2.gz GVIHXTDHCCAEQP-BDAKNGLRSA-N 1 2 336.320 3.845 20 0 EHADLO CCc1cnc(N2CC[NH+](C/C=C/c3ccccc3OC)CC2)s1 ZINC000538729402 1038495762 /nfs/dbraw/zinc/49/57/62/1038495762.db2.gz MNXSTHDVQBRWCM-SOFGYWHQSA-N 1 2 343.496 3.550 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(OCc2ccccc2F)c1 ZINC000538732569 1038497649 /nfs/dbraw/zinc/49/76/49/1038497649.db2.gz ZBBZOYMZTHWYGM-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(OCc2ccccc2F)c1 ZINC000538732569 1038497650 /nfs/dbraw/zinc/49/76/50/1038497650.db2.gz ZBBZOYMZTHWYGM-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000538750759 1038515692 /nfs/dbraw/zinc/51/56/92/1038515692.db2.gz XCBZOHMRPLSLTF-FQEVSTJZSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000538750759 1038515699 /nfs/dbraw/zinc/51/56/99/1038515699.db2.gz XCBZOHMRPLSLTF-FQEVSTJZSA-N 1 2 333.435 3.959 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCC2(CC2)C1 ZINC000667173504 1038621362 /nfs/dbraw/zinc/62/13/62/1038621362.db2.gz KAMOLTGHXPNZGM-HNNXBMFYSA-N 1 2 327.403 3.598 20 0 EHADLO Cc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(F)c1Cl ZINC000363845962 1038673957 /nfs/dbraw/zinc/67/39/57/1038673957.db2.gz KYYUOEQXPOUJRW-UHFFFAOYSA-N 1 2 335.810 3.593 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cscn1 ZINC000539092176 1038679687 /nfs/dbraw/zinc/67/96/87/1038679687.db2.gz YPBFSJYGQIPRIX-CYBMUJFWSA-N 1 2 341.436 3.517 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000378568484 1038728449 /nfs/dbraw/zinc/72/84/49/1038728449.db2.gz XKSKHKZUVANDPR-PXAZEXFGSA-N 1 2 329.425 3.693 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000378568484 1038728456 /nfs/dbraw/zinc/72/84/56/1038728456.db2.gz XKSKHKZUVANDPR-PXAZEXFGSA-N 1 2 329.425 3.693 20 0 EHADLO CC(C)Oc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cn1 ZINC000924692265 1038778628 /nfs/dbraw/zinc/77/86/28/1038778628.db2.gz LNQGRUWVQMHZLQ-INIZCTEOSA-N 1 2 332.831 3.883 20 0 EHADLO Fc1ccccc1C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000500470970 1038781624 /nfs/dbraw/zinc/78/16/24/1038781624.db2.gz POROOASBOGHQPS-AWEZNQCLSA-N 1 2 340.167 3.951 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)n2)cc1OC ZINC000924692224 1038793888 /nfs/dbraw/zinc/79/38/88/1038793888.db2.gz KOPMCFMOANQRCT-LSDHHAIUSA-N 1 2 346.475 3.805 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000539351205 1038818482 /nfs/dbraw/zinc/81/84/82/1038818482.db2.gz JEEKPENKQKAEGQ-UHFFFAOYSA-N 1 2 332.473 3.516 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CCCC1 ZINC000462186409 1038823693 /nfs/dbraw/zinc/82/36/93/1038823693.db2.gz FYMABJZMFCBINT-CABCVRRESA-N 1 2 335.517 3.715 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822651 1038865722 /nfs/dbraw/zinc/86/57/22/1038865722.db2.gz BGSJCDVRFAHBFO-SCLBCKFNSA-N 1 2 343.414 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822651 1038865746 /nfs/dbraw/zinc/86/57/46/1038865746.db2.gz BGSJCDVRFAHBFO-SCLBCKFNSA-N 1 2 343.414 3.727 20 0 EHADLO CC(C)CNC(=O)CCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000660067733 1038882234 /nfs/dbraw/zinc/88/22/34/1038882234.db2.gz HZLRQGIKXZWMKZ-UHFFFAOYSA-N 1 2 347.890 3.732 20 0 EHADLO CC(C)CNC(=O)CCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000660067733 1038882260 /nfs/dbraw/zinc/88/22/60/1038882260.db2.gz HZLRQGIKXZWMKZ-UHFFFAOYSA-N 1 2 347.890 3.732 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)CCO1 ZINC000660067642 1038883412 /nfs/dbraw/zinc/88/34/12/1038883412.db2.gz DMWWENJBOYSIKC-DGCLKSJQSA-N 1 2 349.272 3.856 20 0 EHADLO C[C@@H]1C[C@H]([N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)CCO1 ZINC000660067642 1038883437 /nfs/dbraw/zinc/88/34/37/1038883437.db2.gz DMWWENJBOYSIKC-DGCLKSJQSA-N 1 2 349.272 3.856 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668827737 1038901436 /nfs/dbraw/zinc/90/14/36/1038901436.db2.gz ZYPZUWOVFDABLG-PMXLPMHFSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668827737 1038901449 /nfs/dbraw/zinc/90/14/49/1038901449.db2.gz ZYPZUWOVFDABLG-PMXLPMHFSA-N 1 2 325.399 3.592 20 0 EHADLO Clc1ccc(CCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000363915337 1038913851 /nfs/dbraw/zinc/91/38/51/1038913851.db2.gz ZGZNOOOVOOPALI-QGZVFWFLSA-N 1 2 326.831 3.770 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000488162218 1038920077 /nfs/dbraw/zinc/92/00/77/1038920077.db2.gz WDXCTTWPGMBGTO-HXUWFJFHSA-N 1 2 326.440 3.662 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000488162218 1038920083 /nfs/dbraw/zinc/92/00/83/1038920083.db2.gz WDXCTTWPGMBGTO-HXUWFJFHSA-N 1 2 326.440 3.662 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000162834188 1038936145 /nfs/dbraw/zinc/93/61/45/1038936145.db2.gz CKQKFNFFVMGCOI-UHFFFAOYSA-N 1 2 341.374 3.786 20 0 EHADLO Cc1cccn2c(CN3CC(C)(C)O[C@](C)(C(F)(F)F)C3)c[nH+]c12 ZINC000552111356 1038970223 /nfs/dbraw/zinc/97/02/23/1038970223.db2.gz ZFOBJRFIACVXPU-INIZCTEOSA-N 1 2 341.377 3.575 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OCC(C)C ZINC000552147242 1039025310 /nfs/dbraw/zinc/02/53/10/1039025310.db2.gz UYUSUIJBYGMDDS-RTWAWAEBSA-N 1 2 345.483 3.873 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OCC(C)C ZINC000552147242 1039025331 /nfs/dbraw/zinc/02/53/31/1039025331.db2.gz UYUSUIJBYGMDDS-RTWAWAEBSA-N 1 2 345.483 3.873 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3cnccc3C(C)(C)C)ccc2[nH+]1 ZINC000416791519 1039035765 /nfs/dbraw/zinc/03/57/65/1039035765.db2.gz JQUZTDTZDSXSCF-UHFFFAOYSA-N 1 2 337.427 3.657 20 0 EHADLO CC(C)n1ccn(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1=S ZINC000905676832 1039036444 /nfs/dbraw/zinc/03/64/44/1039036444.db2.gz DCYPGQUZMAVOAE-GFCCVEGCSA-N 1 2 337.386 3.924 20 0 EHADLO CC(C)n1ccn(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1=S ZINC000905676832 1039036464 /nfs/dbraw/zinc/03/64/64/1039036464.db2.gz DCYPGQUZMAVOAE-GFCCVEGCSA-N 1 2 337.386 3.924 20 0 EHADLO C[N@H+](CCC(=O)c1ccc(F)cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000512402474 1039037800 /nfs/dbraw/zinc/03/78/00/1039037800.db2.gz ATHNJLUFTRUSMH-UHFFFAOYSA-N 1 2 348.805 3.622 20 0 EHADLO C[N@@H+](CCC(=O)c1ccc(F)cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000512402474 1039037814 /nfs/dbraw/zinc/03/78/14/1039037814.db2.gz ATHNJLUFTRUSMH-UHFFFAOYSA-N 1 2 348.805 3.622 20 0 EHADLO Cc1cc([C@H]([NH2+][C@H]2CCCNC2=O)c2ccccc2Cl)ccc1F ZINC000480018911 1039039972 /nfs/dbraw/zinc/03/99/72/1039039972.db2.gz ROPBJFHNZZPYGX-ROUUACIJSA-N 1 2 346.833 3.745 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785107 1039075914 /nfs/dbraw/zinc/07/59/14/1039075914.db2.gz MBDXWCUJXNIDOH-UHFFFAOYSA-N 1 2 342.389 3.725 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785107 1039075931 /nfs/dbraw/zinc/07/59/31/1039075931.db2.gz MBDXWCUJXNIDOH-UHFFFAOYSA-N 1 2 342.389 3.725 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Cl)cc1F ZINC000488316987 1039081688 /nfs/dbraw/zinc/08/16/88/1039081688.db2.gz UHFIBNNMZVLQPS-OAHLLOKOSA-N 1 2 346.784 3.823 20 0 EHADLO CC(C)(C)c1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1O ZINC000480052343 1039090917 /nfs/dbraw/zinc/09/09/17/1039090917.db2.gz DBUMUGLUXVBKQL-GOSISDBHSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)(C)c1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1O ZINC000480052343 1039090933 /nfs/dbraw/zinc/09/09/33/1039090933.db2.gz DBUMUGLUXVBKQL-GOSISDBHSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c(O)c(=O)c1 ZINC000663828048 1039111594 /nfs/dbraw/zinc/11/15/94/1039111594.db2.gz HYWIZTFIWJXTGZ-GOSISDBHSA-N 1 2 327.399 3.962 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c(O)c(=O)c1 ZINC000663828048 1039111598 /nfs/dbraw/zinc/11/15/98/1039111598.db2.gz HYWIZTFIWJXTGZ-GOSISDBHSA-N 1 2 327.399 3.962 20 0 EHADLO CC[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Oc1cccc(C)c1 ZINC000488392114 1039138796 /nfs/dbraw/zinc/13/87/96/1039138796.db2.gz DCJJRKSLQYPFLW-IBGZPJMESA-N 1 2 349.434 3.768 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc(F)ccc2F)C1 ZINC000554281289 1039157507 /nfs/dbraw/zinc/15/75/07/1039157507.db2.gz FFWMDWIHYWMNJR-XJKSGUPXSA-N 1 2 335.419 3.966 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc(F)ccc2F)C1 ZINC000554281289 1039157518 /nfs/dbraw/zinc/15/75/18/1039157518.db2.gz FFWMDWIHYWMNJR-XJKSGUPXSA-N 1 2 335.419 3.966 20 0 EHADLO COCc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1F ZINC000924119987 1039158638 /nfs/dbraw/zinc/15/86/38/1039158638.db2.gz WGEDMMYHNTYCAQ-MRXNPFEDSA-N 1 2 344.390 3.854 20 0 EHADLO FC(F)c1nc2ccccc2c(NCCCNc2cccc[nH+]2)n1 ZINC000108845452 1039169849 /nfs/dbraw/zinc/16/98/49/1039169849.db2.gz GKPWWSYQIKFXRM-UHFFFAOYSA-N 1 2 329.354 3.877 20 0 EHADLO C[N@H+](Cc1nc(C2CC2)no1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304158 1039196596 /nfs/dbraw/zinc/19/65/96/1039196596.db2.gz QIWPKDDLSFNJPA-CVEARBPZSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304158 1039196607 /nfs/dbraw/zinc/19/66/07/1039196607.db2.gz QIWPKDDLSFNJPA-CVEARBPZSA-N 1 2 327.428 3.625 20 0 EHADLO Cc1cccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000512457074 1039219070 /nfs/dbraw/zinc/21/90/70/1039219070.db2.gz QGATZXCOQXGQCZ-UHFFFAOYSA-N 1 2 331.463 3.993 20 0 EHADLO Cc1cccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000512457074 1039219076 /nfs/dbraw/zinc/21/90/76/1039219076.db2.gz QGATZXCOQXGQCZ-UHFFFAOYSA-N 1 2 331.463 3.993 20 0 EHADLO Cc1ccoc1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614057252 1039219824 /nfs/dbraw/zinc/21/98/24/1039219824.db2.gz ZYVGDUNZJLEKTE-UHFFFAOYSA-N 1 2 335.407 3.969 20 0 EHADLO CCCOc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431907758 1039221369 /nfs/dbraw/zinc/22/13/69/1039221369.db2.gz TUHBJLDUUFPYAN-UHFFFAOYSA-N 1 2 349.434 3.901 20 0 EHADLO COc1cccc(CN(C)Cc2cn3c([nH+]2)CCCC3)c1OC(C)C ZINC000432798296 1039230323 /nfs/dbraw/zinc/23/03/23/1039230323.db2.gz OOPLUBRUBGPKFX-UHFFFAOYSA-N 1 2 343.471 3.647 20 0 EHADLO COc1cccc(C[NH+]2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000044088646 1039237829 /nfs/dbraw/zinc/23/78/29/1039237829.db2.gz KRUPYMHJRPORBB-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000488520712 1039255839 /nfs/dbraw/zinc/25/58/39/1039255839.db2.gz KUVGMNLLQRVZBN-HXUWFJFHSA-N 1 2 344.405 3.664 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000488520712 1039255850 /nfs/dbraw/zinc/25/58/50/1039255850.db2.gz KUVGMNLLQRVZBN-HXUWFJFHSA-N 1 2 344.405 3.664 20 0 EHADLO CC1(C)OCCC12CC[NH+](Cc1ncc(Cl)nc1Cl)CC2 ZINC001141138029 1039257616 /nfs/dbraw/zinc/25/76/16/1039257616.db2.gz YQODGPQYZCDUDE-UHFFFAOYSA-N 1 2 330.259 3.565 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000488557538 1039272918 /nfs/dbraw/zinc/27/29/18/1039272918.db2.gz FUZXGHPGXUIKBZ-KXBFYZLASA-N 1 2 342.870 3.692 20 0 EHADLO CC(C)(CNc1cc[nH+]c2c(Cl)cccc12)C1(O)CCOCC1 ZINC000419018715 1039283478 /nfs/dbraw/zinc/28/34/78/1039283478.db2.gz PPGDFFNWNXVFBS-UHFFFAOYSA-N 1 2 334.847 3.868 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000898585070 1039295964 /nfs/dbraw/zinc/29/59/64/1039295964.db2.gz YPROGSRWOUFFMF-CQSZACIVSA-N 1 2 340.418 3.514 20 0 EHADLO FC(F)(F)[C@@H](CCc1ccccc1)NCc1cccc2[nH+]ccn21 ZINC000478246617 1039319259 /nfs/dbraw/zinc/31/92/59/1039319259.db2.gz BVSHFOXSQKUENW-MRXNPFEDSA-N 1 2 333.357 3.988 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(CC1CCC1)CC(F)(F)F ZINC000488654704 1039325071 /nfs/dbraw/zinc/32/50/71/1039325071.db2.gz AJGDVHZQFKRLKG-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000432814781 1039354338 /nfs/dbraw/zinc/35/43/38/1039354338.db2.gz YAXVSDWTCWCQFA-HIFRSBDPSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000432814781 1039354348 /nfs/dbraw/zinc/35/43/48/1039354348.db2.gz YAXVSDWTCWCQFA-HIFRSBDPSA-N 1 2 348.288 3.808 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)ccc1C ZINC000237398263 1039355162 /nfs/dbraw/zinc/35/51/62/1039355162.db2.gz IUCIQPJBALLATA-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)nn1 ZINC000927140384 1039361000 /nfs/dbraw/zinc/36/10/00/1039361000.db2.gz NJFSZCBAMBCWCC-VXGBXAGGSA-N 1 2 334.851 3.688 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C)cc1 ZINC000554463949 1039363884 /nfs/dbraw/zinc/36/38/84/1039363884.db2.gz MIZBGYMKUPTRAH-SFHVURJKSA-N 1 2 349.438 3.908 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554465512 1039366596 /nfs/dbraw/zinc/36/65/96/1039366596.db2.gz UGGDJOMUCZASOK-HOTGVXAUSA-N 1 2 341.459 3.664 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667648296 1039376143 /nfs/dbraw/zinc/37/61/43/1039376143.db2.gz QIJULZVNNUEPMR-FQEVSTJZSA-N 1 2 325.456 3.570 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667648296 1039376153 /nfs/dbraw/zinc/37/61/53/1039376153.db2.gz QIJULZVNNUEPMR-FQEVSTJZSA-N 1 2 325.456 3.570 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1)c1ccccc1 ZINC000554497533 1039407614 /nfs/dbraw/zinc/40/76/14/1039407614.db2.gz RHOULJAPYKVDMH-GOSISDBHSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1)c1ccccc1 ZINC000554497533 1039407621 /nfs/dbraw/zinc/40/76/21/1039407621.db2.gz RHOULJAPYKVDMH-GOSISDBHSA-N 1 2 343.858 3.520 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000667655426 1039413967 /nfs/dbraw/zinc/41/39/67/1039413967.db2.gz FTRQRHMXZZTKHZ-UHFFFAOYSA-N 1 2 341.299 3.614 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000667655426 1039413972 /nfs/dbraw/zinc/41/39/72/1039413972.db2.gz FTRQRHMXZZTKHZ-UHFFFAOYSA-N 1 2 341.299 3.614 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1cn(-c2ccccc2F)nn1)C(C)C ZINC000906276805 1039432551 /nfs/dbraw/zinc/43/25/51/1039432551.db2.gz OOUKTUPUNYZDSX-GOSISDBHSA-N 1 2 339.418 3.597 20 0 EHADLO Cc1sccc1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000345045596 1039438791 /nfs/dbraw/zinc/43/87/91/1039438791.db2.gz WGTTTXWCLQKHGG-UHFFFAOYSA-N 1 2 341.436 3.513 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000044139133 1039447326 /nfs/dbraw/zinc/44/73/26/1039447326.db2.gz GMDFSJAEPDKXGD-VIFPVBQESA-N 1 2 329.256 3.565 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906302878 1039460100 /nfs/dbraw/zinc/46/01/00/1039460100.db2.gz UDVIOXSMRQGHPD-KBXCAEBGSA-N 1 2 326.444 3.595 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906302878 1039460108 /nfs/dbraw/zinc/46/01/08/1039460108.db2.gz UDVIOXSMRQGHPD-KBXCAEBGSA-N 1 2 326.444 3.595 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000488979024 1039511824 /nfs/dbraw/zinc/51/18/24/1039511824.db2.gz MFUOSEUUNYDFBZ-CYBMUJFWSA-N 1 2 343.427 3.874 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000488979024 1039511837 /nfs/dbraw/zinc/51/18/37/1039511837.db2.gz MFUOSEUUNYDFBZ-CYBMUJFWSA-N 1 2 343.427 3.874 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000489096146 1039607176 /nfs/dbraw/zinc/60/71/76/1039607176.db2.gz BWCHIKFYSMKYAW-VZSQWMKGSA-N 1 2 337.467 3.963 20 0 EHADLO Cc1ccc(-c2nc(CCNC(=O)c3c(C)cc(C)[nH+]c3C)co2)cc1 ZINC000906512963 1039607951 /nfs/dbraw/zinc/60/79/51/1039607951.db2.gz UKNOUOKWBFZNOR-UHFFFAOYSA-N 1 2 349.434 3.943 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C(C)(C)Nc2ccccc2)n1 ZINC000911962464 1039611267 /nfs/dbraw/zinc/61/12/67/1039611267.db2.gz DVQLWPPXAKXBKV-UHFFFAOYSA-N 1 2 346.500 3.814 20 0 EHADLO C[C@H](c1nc(Cc2cccc(F)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000485859781 1039637898 /nfs/dbraw/zinc/63/78/98/1039637898.db2.gz QZFIDWRUDFAFMU-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@H](c1nc(Cc2cccc(F)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000485859781 1039637909 /nfs/dbraw/zinc/63/79/09/1039637909.db2.gz QZFIDWRUDFAFMU-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000279955225 1039649872 /nfs/dbraw/zinc/64/98/72/1039649872.db2.gz PHTPJCLWWRXUAU-LRDDRELGSA-N 1 2 344.846 3.532 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907184 1039695835 /nfs/dbraw/zinc/69/58/35/1039695835.db2.gz MVSZSZBTUHMWAY-CVEARBPZSA-N 1 2 325.456 3.724 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3C2(C)C)c1 ZINC000553026069 1039710672 /nfs/dbraw/zinc/71/06/72/1039710672.db2.gz ZOMFWUKBBKOBKP-UHFFFAOYSA-N 1 2 336.435 3.621 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCc3ccccc3C2(C)C)c1 ZINC000553026069 1039710682 /nfs/dbraw/zinc/71/06/82/1039710682.db2.gz ZOMFWUKBBKOBKP-UHFFFAOYSA-N 1 2 336.435 3.621 20 0 EHADLO Cn1cc([C@H]([NH2+][C@@H]2COCc3ccccc32)c2cccc(F)c2)cn1 ZINC000417355569 1039713068 /nfs/dbraw/zinc/71/30/68/1039713068.db2.gz DJSRCJYZIZWZJX-WOJBJXKFSA-N 1 2 337.398 3.510 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000660199151 1039716885 /nfs/dbraw/zinc/71/68/85/1039716885.db2.gz CRFPSKOBWKENAQ-NEPJUHHUSA-N 1 2 332.423 3.707 20 0 EHADLO COc1cccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)c1OC ZINC000924712245 1039753696 /nfs/dbraw/zinc/75/36/96/1039753696.db2.gz BEZSMBLFZKLDQO-OAHLLOKOSA-N 1 2 333.815 3.718 20 0 EHADLO CSc1c(F)cccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000667408902 1039773330 /nfs/dbraw/zinc/77/33/30/1039773330.db2.gz FQZBMMOZSJXQLA-UHFFFAOYSA-N 1 2 345.443 3.685 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@H](COCc3ccccc3)C2)c(C)[nH+]1 ZINC000906823148 1039782330 /nfs/dbraw/zinc/78/23/30/1039782330.db2.gz KXINWZMYJRYYDG-IBGZPJMESA-N 1 2 338.451 3.686 20 0 EHADLO CC(C)c1sc(NC(=O)C[C@H]([NH3+])C(F)F)nc1-c1ccccc1 ZINC000912294240 1039788245 /nfs/dbraw/zinc/78/82/45/1039788245.db2.gz JGBYJYUUBUBBRT-NSHDSACASA-N 1 2 339.411 3.855 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c(C)[nH+]1 ZINC000906855530 1039792227 /nfs/dbraw/zinc/79/22/27/1039792227.db2.gz KVBSUJQBAJQRNJ-AWEZNQCLSA-N 1 2 342.443 3.929 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c(C)[nH+]1 ZINC000906867007 1039800768 /nfs/dbraw/zinc/80/07/68/1039800768.db2.gz PZAPJQCDRVZODX-OAHLLOKOSA-N 1 2 334.423 3.684 20 0 EHADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889634 1039886971 /nfs/dbraw/zinc/88/69/71/1039886971.db2.gz YCCUDOTVOYSEBQ-DZGCQCFKSA-N 1 2 335.444 3.526 20 0 EHADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889634 1039886992 /nfs/dbraw/zinc/88/69/92/1039886992.db2.gz YCCUDOTVOYSEBQ-DZGCQCFKSA-N 1 2 335.444 3.526 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1sccc1C1CC1 ZINC000893992948 1039928645 /nfs/dbraw/zinc/92/86/45/1039928645.db2.gz XNPRPUYKADDACN-QGZVFWFLSA-N 1 2 337.448 3.993 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c(C)[nH+]1 ZINC000907217812 1039968023 /nfs/dbraw/zinc/96/80/23/1039968023.db2.gz RODNHVXQNYWGKB-UHFFFAOYSA-N 1 2 341.842 3.985 20 0 EHADLO Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c2ccccc2[nH+]1 ZINC000486206785 1039976311 /nfs/dbraw/zinc/97/63/11/1039976311.db2.gz UQEUZXFWRRMPQG-CQSZACIVSA-N 1 2 338.382 3.939 20 0 EHADLO FC(F)c1noc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)n1 ZINC000570460723 1040000379 /nfs/dbraw/zinc/00/03/79/1040000379.db2.gz BIEKFWJLLIPGFB-UHFFFAOYSA-N 1 2 344.365 3.935 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000907438854 1040046920 /nfs/dbraw/zinc/04/69/20/1040046920.db2.gz QJAGMHMHCUXNLF-OAHLLOKOSA-N 1 2 337.345 3.725 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000894077731 1040056892 /nfs/dbraw/zinc/05/68/92/1040056892.db2.gz WJPAVFOIUARMFQ-HNNXBMFYSA-N 1 2 348.491 3.507 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000894077731 1040056905 /nfs/dbraw/zinc/05/69/05/1040056905.db2.gz WJPAVFOIUARMFQ-HNNXBMFYSA-N 1 2 348.491 3.507 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143551823 1040057280 /nfs/dbraw/zinc/05/72/80/1040057280.db2.gz JZRGZEVWZJKNDE-MWLCHTKSSA-N 1 2 327.268 3.553 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143551823 1040057298 /nfs/dbraw/zinc/05/72/98/1040057298.db2.gz JZRGZEVWZJKNDE-MWLCHTKSSA-N 1 2 327.268 3.553 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540395 1040061869 /nfs/dbraw/zinc/06/18/69/1040061869.db2.gz VPTFTJYFMOGQIU-BIGNPOOSSA-N 1 2 348.796 3.632 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540395 1040061870 /nfs/dbraw/zinc/06/18/70/1040061870.db2.gz VPTFTJYFMOGQIU-BIGNPOOSSA-N 1 2 348.796 3.632 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000899170326 1040109102 /nfs/dbraw/zinc/10/91/02/1040109102.db2.gz OZJIKMLNPQQVAL-HNNXBMFYSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000899170326 1040109108 /nfs/dbraw/zinc/10/91/08/1040109108.db2.gz OZJIKMLNPQQVAL-HNNXBMFYSA-N 1 2 345.468 3.533 20 0 EHADLO CO[C@H](C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)c1ccccc1 ZINC000555054827 1040110913 /nfs/dbraw/zinc/11/09/13/1040110913.db2.gz SMRSGGUISSSXJW-MAUKXSAKSA-N 1 2 337.423 3.699 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cn4cc(Cl)cn4)CC3)oc21 ZINC000188952444 1040127855 /nfs/dbraw/zinc/12/78/55/1040127855.db2.gz OLHBHRQHMHTAAH-UHFFFAOYSA-N 1 2 330.819 3.823 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000432918330 1040175808 /nfs/dbraw/zinc/17/58/08/1040175808.db2.gz OMCKLAOHBVXWFM-LNSITVRQSA-N 1 2 329.362 3.883 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C3(C)CC=CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923964873 1040178919 /nfs/dbraw/zinc/17/89/19/1040178919.db2.gz KCDYLLGSGBTQOC-DOTOQJQBSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C3(C)CC=CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923964873 1040178932 /nfs/dbraw/zinc/17/89/32/1040178932.db2.gz KCDYLLGSGBTQOC-DOTOQJQBSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000584878230 1040186515 /nfs/dbraw/zinc/18/65/15/1040186515.db2.gz MGZXEUCPDLGUEL-ZACQAIPSSA-N 1 2 346.519 3.772 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899218351 1040187368 /nfs/dbraw/zinc/18/73/68/1040187368.db2.gz AYLWOUGLMIGCOX-OPYAIIAOSA-N 1 2 337.467 3.917 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899218351 1040187378 /nfs/dbraw/zinc/18/73/78/1040187378.db2.gz AYLWOUGLMIGCOX-OPYAIIAOSA-N 1 2 337.467 3.917 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nonc2C)ccc1OCC(C)C ZINC000924814929 1040189689 /nfs/dbraw/zinc/18/96/89/1040189689.db2.gz MZOOQKJDVDZWLZ-QWHCGFSZSA-N 1 2 333.432 3.833 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000893318018 1040198439 /nfs/dbraw/zinc/19/84/39/1040198439.db2.gz PFPCSRORUCJRAT-AWEZNQCLSA-N 1 2 335.400 3.677 20 0 EHADLO C(OC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)C1CCCC1 ZINC000155289754 1040202830 /nfs/dbraw/zinc/20/28/30/1040202830.db2.gz GWKFWHJGRYTVCQ-UHFFFAOYSA-N 1 2 333.476 3.898 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000667483843 1040212789 /nfs/dbraw/zinc/21/27/89/1040212789.db2.gz TYFPWGGDXZRSCF-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000667483843 1040212796 /nfs/dbraw/zinc/21/27/96/1040212796.db2.gz TYFPWGGDXZRSCF-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO c1csc(C[N@H+](Cc2ccnn2CC2CC2)C[C@@H]2CCCO2)c1 ZINC000667486679 1040231648 /nfs/dbraw/zinc/23/16/48/1040231648.db2.gz CDQOPWSHRICPLA-KRWDZBQOSA-N 1 2 331.485 3.536 20 0 EHADLO c1csc(C[N@@H+](Cc2ccnn2CC2CC2)C[C@@H]2CCCO2)c1 ZINC000667486679 1040231666 /nfs/dbraw/zinc/23/16/66/1040231666.db2.gz CDQOPWSHRICPLA-KRWDZBQOSA-N 1 2 331.485 3.536 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCCC1 ZINC000553635722 1040258507 /nfs/dbraw/zinc/25/85/07/1040258507.db2.gz KKDGZVKMPBGLSE-HNNXBMFYSA-N 1 2 326.444 3.871 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccsc2Br)c(C)[nH+]1 ZINC000908036654 1040275254 /nfs/dbraw/zinc/27/52/54/1040275254.db2.gz PQXRWWHGFHQKHB-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]1 ZINC000345082961 1040285121 /nfs/dbraw/zinc/28/51/21/1040285121.db2.gz TTWFPEQKBKQBCC-ZDUSSCGKSA-N 1 2 327.819 3.611 20 0 EHADLO Cc1ccccc1-n1cc(CNc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000490066562 1040332669 /nfs/dbraw/zinc/33/26/69/1040332669.db2.gz JZSIFXQKLVZFND-UHFFFAOYSA-N 1 2 348.454 3.573 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)c1ccccc1F)C2 ZINC000553730464 1040382099 /nfs/dbraw/zinc/38/20/99/1040382099.db2.gz MYWSPBRHWFDPBG-ZDUSSCGKSA-N 1 2 343.446 3.829 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1ccccc1F)CC2 ZINC000553730464 1040382115 /nfs/dbraw/zinc/38/21/15/1040382115.db2.gz MYWSPBRHWFDPBG-ZDUSSCGKSA-N 1 2 343.446 3.829 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cn1 ZINC000668673443 1040386182 /nfs/dbraw/zinc/38/61/82/1040386182.db2.gz QECXUMNLCYXDHC-KRWDZBQOSA-N 1 2 341.455 3.721 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cn1 ZINC000668673443 1040386195 /nfs/dbraw/zinc/38/61/95/1040386195.db2.gz QECXUMNLCYXDHC-KRWDZBQOSA-N 1 2 341.455 3.721 20 0 EHADLO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)cc1 ZINC000481177526 1040435168 /nfs/dbraw/zinc/43/51/68/1040435168.db2.gz QPRAWQBPUITPHW-INIZCTEOSA-N 1 2 349.434 3.892 20 0 EHADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000908454012 1040470942 /nfs/dbraw/zinc/47/09/42/1040470942.db2.gz BONRXZLNYMDBNJ-RKDXNWHRSA-N 1 2 345.708 3.704 20 0 EHADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000908454012 1040470955 /nfs/dbraw/zinc/47/09/55/1040470955.db2.gz BONRXZLNYMDBNJ-RKDXNWHRSA-N 1 2 345.708 3.704 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246999746 1040483887 /nfs/dbraw/zinc/48/38/87/1040483887.db2.gz TVHRITAQWDFLFZ-UKRRQHHQSA-N 1 2 345.512 3.884 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246999746 1040483899 /nfs/dbraw/zinc/48/38/99/1040483899.db2.gz TVHRITAQWDFLFZ-UKRRQHHQSA-N 1 2 345.512 3.884 20 0 EHADLO CCn1cncc1C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000418038420 1040486636 /nfs/dbraw/zinc/48/66/36/1040486636.db2.gz FJQVVXNOULJWON-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1cncc1C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000418038420 1040486644 /nfs/dbraw/zinc/48/66/44/1040486644.db2.gz FJQVVXNOULJWON-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO CCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)oc1CC ZINC000486850783 1040494755 /nfs/dbraw/zinc/49/47/55/1040494755.db2.gz CNGWVJQSDGIOSS-KRWDZBQOSA-N 1 2 326.440 3.533 20 0 EHADLO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)oc1CC ZINC000486850783 1040494762 /nfs/dbraw/zinc/49/47/62/1040494762.db2.gz CNGWVJQSDGIOSS-KRWDZBQOSA-N 1 2 326.440 3.533 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(CC(C)C)CCCC1 ZINC000155192908 1040495822 /nfs/dbraw/zinc/49/58/22/1040495822.db2.gz JQLTYUSINVUNHY-UHFFFAOYSA-N 1 2 345.487 3.772 20 0 EHADLO COc1ccc([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000913013653 1040530648 /nfs/dbraw/zinc/53/06/48/1040530648.db2.gz VCTCNUJLDQFKKQ-ZDUSSCGKSA-N 1 2 328.412 3.515 20 0 EHADLO O[C@@H]1CCCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663946565 1040546779 /nfs/dbraw/zinc/54/67/79/1040546779.db2.gz XNWMSWXRLRZQKJ-QGZVFWFLSA-N 1 2 348.450 3.593 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000490545556 1040588077 /nfs/dbraw/zinc/58/80/77/1040588077.db2.gz OCPNXUUPPPZRDU-YSIASYRMSA-N 1 2 337.467 3.549 20 0 EHADLO Fc1c(Br)cccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000668718096 1040600123 /nfs/dbraw/zinc/60/01/23/1040600123.db2.gz ISDDVPMRMAIQTJ-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO Fc1cccc(C[NH2+][C@H]2COCc3ccccc32)c1Br ZINC000418112516 1040602920 /nfs/dbraw/zinc/60/29/20/1040602920.db2.gz YYCQTWAKWZOZAV-HNNXBMFYSA-N 1 2 336.204 3.949 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1cccc(Cl)c1Cl ZINC000668714910 1040611083 /nfs/dbraw/zinc/61/10/83/1040611083.db2.gz DZOSWQRYVMXEGB-INIZCTEOSA-N 1 2 337.250 3.700 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000364273775 1040650285 /nfs/dbraw/zinc/65/02/85/1040650285.db2.gz XHMGOFKDFASQCJ-CQSZACIVSA-N 1 2 331.847 3.827 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cc(=O)oc2c1C ZINC000029533731 1040676515 /nfs/dbraw/zinc/67/65/15/1040676515.db2.gz BWHXKYPXHDFJLQ-HXUWFJFHSA-N 1 2 349.430 3.983 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cc(=O)oc2c1C ZINC000029533731 1040676523 /nfs/dbraw/zinc/67/65/23/1040676523.db2.gz BWHXKYPXHDFJLQ-HXUWFJFHSA-N 1 2 349.430 3.983 20 0 EHADLO FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CCc2nccnc2C1 ZINC000668734809 1040690314 /nfs/dbraw/zinc/69/03/14/1040690314.db2.gz APTMKSJVQXNOQD-UHFFFAOYSA-N 1 2 341.361 3.790 20 0 EHADLO FC(F)Oc1ccc2ccccc2c1C[N@H+]1CCc2nccnc2C1 ZINC000668734809 1040690322 /nfs/dbraw/zinc/69/03/22/1040690322.db2.gz APTMKSJVQXNOQD-UHFFFAOYSA-N 1 2 341.361 3.790 20 0 EHADLO Cc1ccc([C@@H]2CC[N@@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000784022811 1040729824 /nfs/dbraw/zinc/72/98/24/1040729824.db2.gz AFZXEOQLNADULD-MRXNPFEDSA-N 1 2 330.501 3.830 20 0 EHADLO Cc1ccc([C@@H]2CC[N@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000784022811 1040729835 /nfs/dbraw/zinc/72/98/35/1040729835.db2.gz AFZXEOQLNADULD-MRXNPFEDSA-N 1 2 330.501 3.830 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c(OC)c1 ZINC000364314334 1040770785 /nfs/dbraw/zinc/77/07/85/1040770785.db2.gz OAOQENNURZZQFV-BMIGLBTASA-N 1 2 335.350 3.766 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000512758867 1040780742 /nfs/dbraw/zinc/78/07/42/1040780742.db2.gz MZPBCVWIOVKCRJ-UHFFFAOYSA-N 1 2 347.462 3.688 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364321793 1040787075 /nfs/dbraw/zinc/78/70/75/1040787075.db2.gz RMEOCCFHHHOMFZ-UHFFFAOYSA-N 1 2 338.333 3.840 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364321793 1040787088 /nfs/dbraw/zinc/78/70/88/1040787088.db2.gz RMEOCCFHHHOMFZ-UHFFFAOYSA-N 1 2 338.333 3.840 20 0 EHADLO CC(C)c1ocnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000092796176 1040789564 /nfs/dbraw/zinc/78/95/64/1040789564.db2.gz GXEXMJCKRJBKHE-UHFFFAOYSA-N 1 2 325.412 3.713 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(OC)c1 ZINC000051852918 1040800404 /nfs/dbraw/zinc/80/04/04/1040800404.db2.gz DNROJEDTFOXVMW-MRXNPFEDSA-N 1 2 346.452 3.541 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c(OC)c1 ZINC000051852918 1040800413 /nfs/dbraw/zinc/80/04/13/1040800413.db2.gz DNROJEDTFOXVMW-MRXNPFEDSA-N 1 2 346.452 3.541 20 0 EHADLO CCC[N@H+](Cc1c(Br)cnn1C)Cc1ccc(C)cc1 ZINC000555597164 1040897118 /nfs/dbraw/zinc/89/71/18/1040897118.db2.gz CVQFWPNKLGLIJF-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO CCC[N@@H+](Cc1c(Br)cnn1C)Cc1ccc(C)cc1 ZINC000555597164 1040897123 /nfs/dbraw/zinc/89/71/23/1040897123.db2.gz CVQFWPNKLGLIJF-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000614279624 1040910546 /nfs/dbraw/zinc/91/05/46/1040910546.db2.gz ZXMZNQJQGAAJIA-MRXNPFEDSA-N 1 2 341.455 3.533 20 0 EHADLO Cc1cc(/C=C\C(=O)NCCn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000067182152 1040918021 /nfs/dbraw/zinc/91/80/21/1040918021.db2.gz MASHAOLKINRHFP-HJWRWDBZSA-N 1 2 340.471 3.636 20 0 EHADLO Cc1cc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nc(C(C)C)[nH+]1 ZINC000499684568 1040960323 /nfs/dbraw/zinc/96/03/23/1040960323.db2.gz NTIORXYESNYBOF-IBGZPJMESA-N 1 2 345.874 3.746 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156305488 1040967794 /nfs/dbraw/zinc/96/77/94/1040967794.db2.gz YUOMSAZSRKHULB-FXAWDEMLSA-N 1 2 345.487 3.623 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156305488 1040967820 /nfs/dbraw/zinc/96/78/20/1040967820.db2.gz YUOMSAZSRKHULB-FXAWDEMLSA-N 1 2 345.487 3.623 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCc4ccccc4C3)n2)c(F)c1 ZINC000487582062 1040979805 /nfs/dbraw/zinc/97/98/05/1040979805.db2.gz FTHUHQJPCMLMCW-UHFFFAOYSA-N 1 2 325.362 3.709 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCc4ccccc4C3)n2)c(F)c1 ZINC000487582062 1040979830 /nfs/dbraw/zinc/97/98/30/1040979830.db2.gz FTHUHQJPCMLMCW-UHFFFAOYSA-N 1 2 325.362 3.709 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508871 1040988214 /nfs/dbraw/zinc/98/82/14/1040988214.db2.gz QAUVWBAYMGUOBF-BLLLJJGKSA-N 1 2 332.831 3.662 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508871 1040988191 /nfs/dbraw/zinc/98/81/91/1040988191.db2.gz QAUVWBAYMGUOBF-BLLLJJGKSA-N 1 2 332.831 3.662 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3ccccc3F)[nH+]c12 ZINC000586750045 1040994411 /nfs/dbraw/zinc/99/44/11/1040994411.db2.gz XMZUBIPKXFUOSQ-AWEZNQCLSA-N 1 2 325.387 3.544 20 0 EHADLO Cc1[nH+]c2cc(OCc3nc([C@H](C)OCC(C)C)no3)ccc2n1C ZINC000664052596 1041002701 /nfs/dbraw/zinc/00/27/01/1041002701.db2.gz ATGQQHYVSNPSKE-LBPRGKRZSA-N 1 2 344.415 3.577 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143606707 1041011723 /nfs/dbraw/zinc/01/17/23/1041011723.db2.gz FPLZJLVWBXZRIW-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143606707 1041011739 /nfs/dbraw/zinc/01/17/39/1041011739.db2.gz FPLZJLVWBXZRIW-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487692712 1041047490 /nfs/dbraw/zinc/04/74/90/1041047490.db2.gz QRCRJXIQMFYNHQ-SFHVURJKSA-N 1 2 340.471 3.983 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000411665130 1041053084 /nfs/dbraw/zinc/05/30/84/1041053084.db2.gz GWZHXOONHLFKDA-OAHLLOKOSA-N 1 2 328.309 3.773 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278394 1041056690 /nfs/dbraw/zinc/05/66/90/1041056690.db2.gz HJQRPAVHJNDRBQ-KXBFYZLASA-N 1 2 344.455 3.662 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000829047137 1041078870 /nfs/dbraw/zinc/07/88/70/1041078870.db2.gz DAQILWZCCMWTPQ-WKILWMFISA-N 1 2 342.474 3.781 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000829047137 1041078886 /nfs/dbraw/zinc/07/88/86/1041078886.db2.gz DAQILWZCCMWTPQ-WKILWMFISA-N 1 2 342.474 3.781 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000364387275 1041082587 /nfs/dbraw/zinc/08/25/87/1041082587.db2.gz SMYFWQHTVQIYRQ-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C)CCCC(F)(F)F ZINC000481576195 1041083619 /nfs/dbraw/zinc/08/36/19/1041083619.db2.gz JACNYYPMZLAIBZ-HIFRSBDPSA-N 1 2 331.378 3.790 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147872 1041092232 /nfs/dbraw/zinc/09/22/32/1041092232.db2.gz ONSBHULYXWJWEB-YLJYHZDGSA-N 1 2 348.494 3.574 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=S)n1C1CC1 ZINC000055019022 1041100818 /nfs/dbraw/zinc/10/08/18/1041100818.db2.gz QVLBBBMKTFSDHI-QGZVFWFLSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=S)n1C1CC1 ZINC000055019022 1041100824 /nfs/dbraw/zinc/10/08/24/1041100824.db2.gz QVLBBBMKTFSDHI-QGZVFWFLSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCCc4c(F)ccc(F)c43)ccn12 ZINC001127091171 1041109654 /nfs/dbraw/zinc/10/96/54/1041109654.db2.gz LIJNEUGKKAVNRB-UHFFFAOYSA-N 1 2 327.334 3.514 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433227175 1041111820 /nfs/dbraw/zinc/11/18/20/1041111820.db2.gz QPBQYUYLSQUDKZ-UHFFFAOYSA-N 1 2 347.462 3.911 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000481598033 1041129830 /nfs/dbraw/zinc/12/98/30/1041129830.db2.gz MUXWHXVTXKJNPO-KESTWPANSA-N 1 2 349.409 3.747 20 0 EHADLO Cc1nsc(C)c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000571009541 1041163438 /nfs/dbraw/zinc/16/34/38/1041163438.db2.gz YGVKWQBJNXORRW-QGZVFWFLSA-N 1 2 326.469 3.984 20 0 EHADLO Cc1nsc(C)c1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000571009541 1041163447 /nfs/dbraw/zinc/16/34/47/1041163447.db2.gz YGVKWQBJNXORRW-QGZVFWFLSA-N 1 2 326.469 3.984 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@H]3CCOC4(CCC4)C3)c12 ZINC000571136578 1041200911 /nfs/dbraw/zinc/20/09/11/1041200911.db2.gz XDMCSHZYJNSPKX-HNNXBMFYSA-N 1 2 349.438 3.577 20 0 EHADLO Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1F ZINC000487939941 1041203712 /nfs/dbraw/zinc/20/37/12/1041203712.db2.gz CFSHAZFTLIZOKK-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)Cc3ccc(F)cc3C)nc(N)c2c1C ZINC000487964653 1041213348 /nfs/dbraw/zinc/21/33/48/1041213348.db2.gz QFSURYVZWJOJJB-UHFFFAOYSA-N 1 2 328.391 3.501 20 0 EHADLO Cc1oc2nc(C[N@H+](C)Cc3ccc(F)cc3C)nc(N)c2c1C ZINC000487964653 1041213360 /nfs/dbraw/zinc/21/33/60/1041213360.db2.gz QFSURYVZWJOJJB-UHFFFAOYSA-N 1 2 328.391 3.501 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C[C@@H]1OC ZINC000487982781 1041235177 /nfs/dbraw/zinc/23/51/77/1041235177.db2.gz SJJRTMNYMRZORW-HDICACEKSA-N 1 2 346.496 3.779 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C[C@@H]1OC ZINC000487982781 1041235201 /nfs/dbraw/zinc/23/52/01/1041235201.db2.gz SJJRTMNYMRZORW-HDICACEKSA-N 1 2 346.496 3.779 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000345086854 1041239160 /nfs/dbraw/zinc/23/91/60/1041239160.db2.gz VUFMGZQIQDJSTN-SUMWQHHRSA-N 1 2 331.437 3.745 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000345086854 1041239172 /nfs/dbraw/zinc/23/91/72/1041239172.db2.gz VUFMGZQIQDJSTN-SUMWQHHRSA-N 1 2 331.437 3.745 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)on1 ZINC000052008234 1041251860 /nfs/dbraw/zinc/25/18/60/1041251860.db2.gz CCTHZHMLRCSPPK-CQSZACIVSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)on1 ZINC000052008234 1041251873 /nfs/dbraw/zinc/25/18/73/1041251873.db2.gz CCTHZHMLRCSPPK-CQSZACIVSA-N 1 2 334.803 3.745 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571213556 1041255622 /nfs/dbraw/zinc/25/56/22/1041255622.db2.gz IJGIPYIKOCJRMD-BFYDXBDKSA-N 1 2 343.858 3.551 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ncc(Cl)c2C)ccc1SC ZINC000156572891 1041293696 /nfs/dbraw/zinc/29/36/96/1041293696.db2.gz UUXWUKJOJYSRKC-UHFFFAOYSA-N 1 2 325.865 3.665 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ncc(Cl)c2C)ccc1SC ZINC000156572891 1041293705 /nfs/dbraw/zinc/29/37/05/1041293705.db2.gz UUXWUKJOJYSRKC-UHFFFAOYSA-N 1 2 325.865 3.665 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)cc1)c1cc(CO)on1 ZINC000924884287 1041382967 /nfs/dbraw/zinc/38/29/67/1041382967.db2.gz XPNICWHLXFXLCC-AWEZNQCLSA-N 1 2 330.428 3.729 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c3ccco3)c2C)no1 ZINC000085789200 1041405193 /nfs/dbraw/zinc/40/51/93/1041405193.db2.gz UUXYMEXZEXGLKG-HNNXBMFYSA-N 1 2 341.411 3.859 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c3ccco3)c2C)no1 ZINC000085789200 1041405198 /nfs/dbraw/zinc/40/51/98/1041405198.db2.gz UUXYMEXZEXGLKG-HNNXBMFYSA-N 1 2 341.411 3.859 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)o1)c1ccccc1 ZINC000513041427 1041411297 /nfs/dbraw/zinc/41/12/97/1041411297.db2.gz PVBDNIYNRWPANU-OAHLLOKOSA-N 1 2 332.831 3.718 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1)c1ccccc1 ZINC000513041427 1041411305 /nfs/dbraw/zinc/41/13/05/1041411305.db2.gz PVBDNIYNRWPANU-OAHLLOKOSA-N 1 2 332.831 3.718 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)o1)c1ccccc1 ZINC000513041426 1041411591 /nfs/dbraw/zinc/41/15/91/1041411591.db2.gz PVBDNIYNRWPANU-HNNXBMFYSA-N 1 2 332.831 3.718 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1)c1ccccc1 ZINC000513041426 1041411595 /nfs/dbraw/zinc/41/15/95/1041411595.db2.gz PVBDNIYNRWPANU-HNNXBMFYSA-N 1 2 332.831 3.718 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021191 1041478195 /nfs/dbraw/zinc/47/81/95/1041478195.db2.gz UPEPGSFEJINXSF-KBXCAEBGSA-N 1 2 336.426 3.893 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021191 1041478198 /nfs/dbraw/zinc/47/81/98/1041478198.db2.gz UPEPGSFEJINXSF-KBXCAEBGSA-N 1 2 336.426 3.893 20 0 EHADLO Cc1nc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c(C)o1 ZINC000660494452 1041570711 /nfs/dbraw/zinc/57/07/11/1041570711.db2.gz DDZMXAYAWJIDCU-HNNXBMFYSA-N 1 2 336.233 3.690 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000368746685 1041582729 /nfs/dbraw/zinc/58/27/29/1041582729.db2.gz SEIAGRYAGDHZAZ-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000652097905 1041598517 /nfs/dbraw/zinc/59/85/17/1041598517.db2.gz YKEOVJZKWPLQSY-VAMGGRTRSA-N 1 2 349.478 3.557 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@H](c3cccs3)C2)oc1C ZINC000292729550 1041600832 /nfs/dbraw/zinc/60/08/32/1041600832.db2.gz VFNYKJQPGKBVDG-ABAIWWIYSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@H](c3cccs3)C2)oc1C ZINC000292729550 1041600835 /nfs/dbraw/zinc/60/08/35/1041600835.db2.gz VFNYKJQPGKBVDG-ABAIWWIYSA-N 1 2 335.425 3.571 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000511810347 1041640659 /nfs/dbraw/zinc/64/06/59/1041640659.db2.gz NXNFDJQCEBSAPO-ILXRZTDVSA-N 1 2 329.362 3.883 20 0 EHADLO Cc1nc(N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc[nH+]1 ZINC000432155808 1041663533 /nfs/dbraw/zinc/66/35/33/1041663533.db2.gz GKKILXHASFPVCD-AWEZNQCLSA-N 1 2 332.245 3.617 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000660584376 1041704870 /nfs/dbraw/zinc/70/48/70/1041704870.db2.gz NODOASUOGKNWGD-HZPDHXFCSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000660584376 1041704878 /nfs/dbraw/zinc/70/48/78/1041704878.db2.gz NODOASUOGKNWGD-HZPDHXFCSA-N 1 2 341.373 3.961 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618046 1041730546 /nfs/dbraw/zinc/73/05/46/1041730546.db2.gz CHPOWSOIZIFKSH-RISCZKNCSA-N 1 2 336.892 3.948 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618046 1041730552 /nfs/dbraw/zinc/73/05/52/1041730552.db2.gz CHPOWSOIZIFKSH-RISCZKNCSA-N 1 2 336.892 3.948 20 0 EHADLO NC(=[NH+]OCc1coc(-c2cccc(Cl)c2)n1)c1ccc(F)cc1 ZINC000026777988 1041735618 /nfs/dbraw/zinc/73/56/18/1041735618.db2.gz KONQYTOBPALMIZ-UHFFFAOYSA-N 1 2 345.761 3.971 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1csc(-c2ccccc2)n1 ZINC000652141577 1041746647 /nfs/dbraw/zinc/74/66/47/1041746647.db2.gz UVSDGMLFFMLFSP-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799879 1041832321 /nfs/dbraw/zinc/83/23/21/1041832321.db2.gz INGAGQJFDPHKSK-HOTGVXAUSA-N 1 2 337.341 3.735 20 0 EHADLO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799879 1041832330 /nfs/dbraw/zinc/83/23/30/1041832330.db2.gz INGAGQJFDPHKSK-HOTGVXAUSA-N 1 2 337.341 3.735 20 0 EHADLO COc1cc(OC)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1F ZINC000651714569 1041953664 /nfs/dbraw/zinc/95/36/64/1041953664.db2.gz FYVXAEXXHAKNDR-UHFFFAOYSA-N 1 2 338.448 3.941 20 0 EHADLO O=C(C[NH+]1CCC(c2ccco2)CC1)Nc1cc(Cl)ccc1F ZINC000661161976 1041980712 /nfs/dbraw/zinc/98/07/12/1041980712.db2.gz DOSXBECAEOUQBL-UHFFFAOYSA-N 1 2 336.794 3.890 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045034905 1042028658 /nfs/dbraw/zinc/02/86/58/1042028658.db2.gz TYQJKAPOQBMOMZ-MRXNPFEDSA-N 1 2 349.434 3.821 20 0 EHADLO CCCOc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001211665801 1042056726 /nfs/dbraw/zinc/05/67/26/1042056726.db2.gz HCZZAHBMLMONOX-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO CC[C@H](CC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000728820127 1042090277 /nfs/dbraw/zinc/09/02/77/1042090277.db2.gz ZPROQVPHIWJCHT-MRXNPFEDSA-N 1 2 326.440 3.907 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccccc2Cl)c1C ZINC000728819858 1042095668 /nfs/dbraw/zinc/09/56/68/1042095668.db2.gz MGTWZZULMPLNJJ-UHFFFAOYSA-N 1 2 346.858 3.954 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1cscn1)[C@H](C)c1ccc(F)cc1 ZINC000661418225 1042110257 /nfs/dbraw/zinc/11/02/57/1042110257.db2.gz MUTVMYQHWGBIGU-QWHCGFSZSA-N 1 2 335.448 3.543 20 0 EHADLO CC(C)c1nc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)no1 ZINC000661430083 1042118532 /nfs/dbraw/zinc/11/85/32/1042118532.db2.gz NZNWXXZMOOHYNO-SFHVURJKSA-N 1 2 349.862 3.728 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)C1CC1 ZINC000661445402 1042123454 /nfs/dbraw/zinc/12/34/54/1042123454.db2.gz GRZBOCXCZNXJFR-YWZLYKJASA-N 1 2 342.483 3.986 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1)C1CC1 ZINC000661445402 1042123457 /nfs/dbraw/zinc/12/34/57/1042123457.db2.gz GRZBOCXCZNXJFR-YWZLYKJASA-N 1 2 342.483 3.986 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513444 1042160051 /nfs/dbraw/zinc/16/00/51/1042160051.db2.gz KLGYPYODMFDQRC-IBGZPJMESA-N 1 2 326.415 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513444 1042160054 /nfs/dbraw/zinc/16/00/54/1042160054.db2.gz KLGYPYODMFDQRC-IBGZPJMESA-N 1 2 326.415 3.621 20 0 EHADLO COc1cccc(CC[N@@H+](C)Cc2csc(Br)n2)c1 ZINC001137583084 1042257663 /nfs/dbraw/zinc/25/76/63/1042257663.db2.gz MKCLHDJWSFBWLV-UHFFFAOYSA-N 1 2 341.274 3.589 20 0 EHADLO COc1cccc(CC[N@H+](C)Cc2csc(Br)n2)c1 ZINC001137583084 1042257657 /nfs/dbraw/zinc/25/76/57/1042257657.db2.gz MKCLHDJWSFBWLV-UHFFFAOYSA-N 1 2 341.274 3.589 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487360611 1042258050 /nfs/dbraw/zinc/25/80/50/1042258050.db2.gz CCEJITZCBOQWMQ-LBPRGKRZSA-N 1 2 341.361 3.962 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487360611 1042258055 /nfs/dbraw/zinc/25/80/55/1042258055.db2.gz CCEJITZCBOQWMQ-LBPRGKRZSA-N 1 2 341.361 3.962 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661738471 1042293825 /nfs/dbraw/zinc/29/38/25/1042293825.db2.gz RQOKZOWNXBYVME-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661738471 1042293828 /nfs/dbraw/zinc/29/38/28/1042293828.db2.gz RQOKZOWNXBYVME-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CC(C)C[C@@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)n1cc[nH+]c1 ZINC000924174959 1042382669 /nfs/dbraw/zinc/38/26/69/1042382669.db2.gz WBTMXVXLOBZILR-CABCVRRESA-N 1 2 330.432 3.718 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661950727 1042425431 /nfs/dbraw/zinc/42/54/31/1042425431.db2.gz DHXZHLMKRMVWID-AWEZNQCLSA-N 1 2 346.496 3.571 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nc3ccccc3n1C(F)F)CC2 ZINC000661952902 1042428047 /nfs/dbraw/zinc/42/80/47/1042428047.db2.gz IDHDYKVQNHKJAO-UHFFFAOYSA-N 1 2 333.382 3.767 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2=CCCC2)c(C)c1 ZINC000661963475 1042432982 /nfs/dbraw/zinc/43/29/82/1042432982.db2.gz CZHIIYPXHQOOLF-LJQANCHMSA-N 1 2 338.455 3.651 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000661984981 1042443358 /nfs/dbraw/zinc/44/33/58/1042443358.db2.gz DFIGTCLAVRFWEA-SJLPKXTDSA-N 1 2 344.503 3.543 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997665 1042454721 /nfs/dbraw/zinc/45/47/21/1042454721.db2.gz MRRXCYQHEHZVEJ-LBPRGKRZSA-N 1 2 345.468 3.750 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997665 1042454724 /nfs/dbraw/zinc/45/47/24/1042454724.db2.gz MRRXCYQHEHZVEJ-LBPRGKRZSA-N 1 2 345.468 3.750 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1C ZINC000473162380 1042457280 /nfs/dbraw/zinc/45/72/80/1042457280.db2.gz PEJIFMKNWJFNTO-UHFFFAOYSA-N 1 2 347.361 3.942 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1C ZINC000473162380 1042457284 /nfs/dbraw/zinc/45/72/84/1042457284.db2.gz PEJIFMKNWJFNTO-UHFFFAOYSA-N 1 2 347.361 3.942 20 0 EHADLO CC(C)(C)OC1CC(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000432280434 1042460954 /nfs/dbraw/zinc/46/09/54/1042460954.db2.gz QLMQMIITVWVQLQ-UHFFFAOYSA-N 1 2 341.455 3.586 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2ccon2)CC1 ZINC000662046376 1042479523 /nfs/dbraw/zinc/47/95/23/1042479523.db2.gz CPFQMYOFXAUBSF-AWEZNQCLSA-N 1 2 338.411 3.589 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000662064192 1042492580 /nfs/dbraw/zinc/49/25/80/1042492580.db2.gz IKPAPOZVBMMOGU-LJQANCHMSA-N 1 2 349.434 3.508 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000662064192 1042492582 /nfs/dbraw/zinc/49/25/82/1042492582.db2.gz IKPAPOZVBMMOGU-LJQANCHMSA-N 1 2 349.434 3.508 20 0 EHADLO CC[C@@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000184387009 1042496738 /nfs/dbraw/zinc/49/67/38/1042496738.db2.gz LWHPLJCNRCJVDS-SMDDNHRTSA-N 1 2 337.876 3.715 20 0 EHADLO Oc1ccc(Cl)c(F)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248846060 1042531463 /nfs/dbraw/zinc/53/14/63/1042531463.db2.gz NFMYNEUHLDUYLY-BLLLJJGKSA-N 1 2 338.854 3.633 20 0 EHADLO Oc1ccc(Cl)c(F)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248846060 1042531477 /nfs/dbraw/zinc/53/14/77/1042531477.db2.gz NFMYNEUHLDUYLY-BLLLJJGKSA-N 1 2 338.854 3.633 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1Br ZINC000662131504 1042539622 /nfs/dbraw/zinc/53/96/22/1042539622.db2.gz QTSBODSJUAXCTO-YHWZYXNKSA-N 1 2 337.261 3.651 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1Br ZINC000662131504 1042539631 /nfs/dbraw/zinc/53/96/31/1042539631.db2.gz QTSBODSJUAXCTO-YHWZYXNKSA-N 1 2 337.261 3.651 20 0 EHADLO CCCN(C)CC(C)(C)[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000662173098 1042561461 /nfs/dbraw/zinc/56/14/61/1042561461.db2.gz CWBYALOSSJPJAU-UHFFFAOYSA-N 1 2 333.520 3.767 20 0 EHADLO Cc1cc(N2CCC(Oc3ncccc3F)CC2)nc(C2CCC2)[nH+]1 ZINC000893545803 1042570232 /nfs/dbraw/zinc/57/02/32/1042570232.db2.gz MNUSVQPOAXFGJX-UHFFFAOYSA-N 1 2 342.418 3.634 20 0 EHADLO COc1cc[nH+]c(CN2Cc3ccc(C)c(Br)c3C2)c1 ZINC000662192723 1042576901 /nfs/dbraw/zinc/57/69/01/1042576901.db2.gz SZLUPCSTKWWCPJ-UHFFFAOYSA-N 1 2 333.229 3.677 20 0 EHADLO Cn1nc(C(F)(F)F)cc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000663257407 1042605899 /nfs/dbraw/zinc/60/58/99/1042605899.db2.gz WCUCCSVEWIENCD-UHFFFAOYSA-N 1 2 335.333 3.736 20 0 EHADLO C[C@@H]1C[N@H+](CCc2nsc3ccccc23)C[C@@H](CC(F)(F)F)O1 ZINC000662240783 1042627348 /nfs/dbraw/zinc/62/73/48/1042627348.db2.gz MMUMBXRDEDLCPH-VXGBXAGGSA-N 1 2 344.402 3.881 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2nsc3ccccc23)C[C@@H](CC(F)(F)F)O1 ZINC000662240783 1042627351 /nfs/dbraw/zinc/62/73/51/1042627351.db2.gz MMUMBXRDEDLCPH-VXGBXAGGSA-N 1 2 344.402 3.881 20 0 EHADLO O=C(CCCCCc1ccc(F)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000186543177 1042668986 /nfs/dbraw/zinc/66/89/86/1042668986.db2.gz INSHCIKSSFOECM-UHFFFAOYSA-N 1 2 339.414 3.893 20 0 EHADLO CCn1nccc1CNc1[nH+]c2cc(Br)ccc2n1CC ZINC000162049601 1042707516 /nfs/dbraw/zinc/70/75/16/1042707516.db2.gz RGGPAVUASXERNV-UHFFFAOYSA-N 1 2 348.248 3.647 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3ccsc3)CC2)s1 ZINC000128618127 1042785929 /nfs/dbraw/zinc/78/59/29/1042785929.db2.gz QODSSLMRAVUZEA-UHFFFAOYSA-N 1 2 348.537 3.649 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCCc3sccc32)c1C ZINC000162946249 1042844476 /nfs/dbraw/zinc/84/44/76/1042844476.db2.gz NOVLOWJOWOQAQP-AWEZNQCLSA-N 1 2 345.468 3.645 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901130 1042845737 /nfs/dbraw/zinc/84/57/37/1042845737.db2.gz FAYQODBWPISPSH-CXAGYDPISA-N 1 2 338.386 3.854 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901130 1042845739 /nfs/dbraw/zinc/84/57/39/1042845739.db2.gz FAYQODBWPISPSH-CXAGYDPISA-N 1 2 338.386 3.854 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2CC)cc1OC ZINC000278891204 1042847704 /nfs/dbraw/zinc/84/77/04/1042847704.db2.gz QGWYGEHPCSXKGY-HNNXBMFYSA-N 1 2 346.475 3.726 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000603945098 1042856561 /nfs/dbraw/zinc/85/65/61/1042856561.db2.gz ZHZGZYQAOUQFFZ-LJQANCHMSA-N 1 2 347.466 3.789 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000603945098 1042856567 /nfs/dbraw/zinc/85/65/67/1042856567.db2.gz ZHZGZYQAOUQFFZ-LJQANCHMSA-N 1 2 347.466 3.789 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](Cc3ccccc3)C3CC3)n2)cc1 ZINC000025746211 1042862242 /nfs/dbraw/zinc/86/22/42/1042862242.db2.gz XFLBGDPDELQSNW-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](Cc3ccccc3)C3CC3)n2)cc1 ZINC000025746211 1042862247 /nfs/dbraw/zinc/86/22/47/1042862247.db2.gz XFLBGDPDELQSNW-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000663477063 1042909211 /nfs/dbraw/zinc/90/92/11/1042909211.db2.gz CUQONIWJKONWKK-CYBMUJFWSA-N 1 2 330.329 3.601 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)CC(F)(F)F ZINC000663477063 1042909214 /nfs/dbraw/zinc/90/92/14/1042909214.db2.gz CUQONIWJKONWKK-CYBMUJFWSA-N 1 2 330.329 3.601 20 0 EHADLO COC(C)(C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278911854 1042920393 /nfs/dbraw/zinc/92/03/93/1042920393.db2.gz ZZMZPNFRQLEASS-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO COc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)ccc1C ZINC000278912601 1042924749 /nfs/dbraw/zinc/92/47/49/1042924749.db2.gz SSWDKEUXZMUPBT-IBGZPJMESA-N 1 2 339.414 3.755 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2cccc3ccccc32)C(C)(C)CO1 ZINC000604388057 1042936524 /nfs/dbraw/zinc/93/65/24/1042936524.db2.gz XQHAHIUDOWCSFN-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)C(C)(C)CO1 ZINC000604388057 1042936529 /nfs/dbraw/zinc/93/65/29/1042936529.db2.gz XQHAHIUDOWCSFN-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO Fc1ccc2nc(C(F)F)nc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000663540870 1042984029 /nfs/dbraw/zinc/98/40/29/1042984029.db2.gz SFGWDUHTUKLLMC-LBPRGKRZSA-N 1 2 347.344 3.745 20 0 EHADLO COc1ccc(-c2nc(NC(=O)C[NH+]3CCCCC3)sc2C)cc1 ZINC000003218132 1042989863 /nfs/dbraw/zinc/98/98/63/1042989863.db2.gz VIROTBPZSPSKMF-UHFFFAOYSA-N 1 2 345.468 3.552 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1nc3c(s1)C[C@H](C)CC3)CC2 ZINC000512039642 1043024731 /nfs/dbraw/zinc/02/47/31/1043024731.db2.gz MKIDZMOUWWQHHI-CYBMUJFWSA-N 1 2 328.481 3.835 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1nc3c(s1)C[C@H](C)CC3)CC2 ZINC000512039642 1043024734 /nfs/dbraw/zinc/02/47/34/1043024734.db2.gz MKIDZMOUWWQHHI-CYBMUJFWSA-N 1 2 328.481 3.835 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c1 ZINC000007355981 1043038258 /nfs/dbraw/zinc/03/82/58/1043038258.db2.gz HOSSZEJJHZUALF-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1C ZINC000663618118 1043076577 /nfs/dbraw/zinc/07/65/77/1043076577.db2.gz KCCQUZAOFLJZRG-INIZCTEOSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1C ZINC000663618118 1043076588 /nfs/dbraw/zinc/07/65/88/1043076588.db2.gz KCCQUZAOFLJZRG-INIZCTEOSA-N 1 2 340.471 3.618 20 0 EHADLO COC[C@H]1CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)C1 ZINC000663645920 1043239596 /nfs/dbraw/zinc/23/95/96/1043239596.db2.gz DVMVVKPIZHODCH-KRWDZBQOSA-N 1 2 348.450 3.715 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000663664855 1043357017 /nfs/dbraw/zinc/35/70/17/1043357017.db2.gz YSFVGLSVGVJIRK-YJYMSZOUSA-N 1 2 337.398 3.923 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000344203536 1043421015 /nfs/dbraw/zinc/42/10/15/1043421015.db2.gz PFTCJCZVAAFRPE-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO CCCCC[C@@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687194 1043560398 /nfs/dbraw/zinc/56/03/98/1043560398.db2.gz UNDYBJXSLAXIGS-GOSISDBHSA-N 1 2 346.519 3.906 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2ccccc2F)n1 ZINC000162818950 1043795376 /nfs/dbraw/zinc/79/53/76/1043795376.db2.gz ORTDTNKGIWFPNI-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000344372770 1043806737 /nfs/dbraw/zinc/80/67/37/1043806737.db2.gz GHLGUTRXAFPKSA-MRXNPFEDSA-N 1 2 328.412 3.772 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001139731938 1043937679 /nfs/dbraw/zinc/93/76/79/1043937679.db2.gz FAGDGTOEBPYOHP-PKOBYXMFSA-N 1 2 326.525 3.552 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344420507 1043986356 /nfs/dbraw/zinc/98/63/56/1043986356.db2.gz YKURTNJLSNOILY-UHFFFAOYSA-N 1 2 327.334 3.991 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000279378872 1044023000 /nfs/dbraw/zinc/02/30/00/1044023000.db2.gz QMJFQBQOSKSGRJ-UHFFFAOYSA-N 1 2 330.457 3.876 20 0 EHADLO Cc1cc([C@@H]2CN(c3[nH+]ccc4c(N)cccc43)CCO2)ccc1F ZINC000663760281 1044122264 /nfs/dbraw/zinc/12/22/64/1044122264.db2.gz UWPJLSLYFHYBNQ-IBGZPJMESA-N 1 2 337.398 3.842 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc(F)cc(F)c3)n2)c1 ZINC000279519046 1044161386 /nfs/dbraw/zinc/16/13/86/1044161386.db2.gz ODKGPDCFZLSNSB-VXGBXAGGSA-N 1 2 343.381 3.865 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000344632445 1044221033 /nfs/dbraw/zinc/22/10/33/1044221033.db2.gz TXZUQHKSLWAQMO-UHFFFAOYSA-N 1 2 331.363 3.850 20 0 EHADLO Cc1ncc(C[NH2+]Cc2c(F)ccc(Br)c2F)s1 ZINC000230307113 1044340963 /nfs/dbraw/zinc/34/09/63/1044340963.db2.gz OMFZWHRZAOQJAZ-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CCCn1cc[nH+]c1 ZINC000643327740 1044466731 /nfs/dbraw/zinc/46/67/31/1044466731.db2.gz PPIZWZKBUXAZCB-KRWDZBQOSA-N 1 2 341.455 3.533 20 0 EHADLO Cc1csc([C@@H](C)CNc2nc(C)[nH+]c(C)c2Br)n1 ZINC000663796187 1044668282 /nfs/dbraw/zinc/66/82/82/1044668282.db2.gz BIFAHCWGKLXFKZ-ZETCQYMHSA-N 1 2 341.278 3.836 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279815017 1044696754 /nfs/dbraw/zinc/69/67/54/1044696754.db2.gz QFDABCYQVOGMIC-NLDJYOPPSA-N 1 2 342.439 3.671 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279815017 1044696760 /nfs/dbraw/zinc/69/67/60/1044696760.db2.gz QFDABCYQVOGMIC-NLDJYOPPSA-N 1 2 342.439 3.671 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COC1CCC(C)CC1 ZINC000279832332 1044727927 /nfs/dbraw/zinc/72/79/27/1044727927.db2.gz ASIIDNPZQAATDI-UHFFFAOYSA-N 1 2 327.428 3.919 20 0 EHADLO C[C@@H](c1nnc(SCC(F)F)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000112770548 1044770622 /nfs/dbraw/zinc/77/06/22/1044770622.db2.gz LHCRQGBDUDVOGO-VIFPVBQESA-N 1 2 346.834 3.901 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235492 1125524935 /nfs/dbraw/zinc/52/49/35/1125524935.db2.gz VNSZRSVPPQCDCT-KRWDZBQOSA-N 1 2 340.467 3.612 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235492 1125524940 /nfs/dbraw/zinc/52/49/40/1125524940.db2.gz VNSZRSVPPQCDCT-KRWDZBQOSA-N 1 2 340.467 3.612 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000620410750 1125566612 /nfs/dbraw/zinc/56/66/12/1125566612.db2.gz JOTXZRGKJZHMHW-AWEZNQCLSA-N 1 2 335.860 3.670 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000153689269 1125648288 /nfs/dbraw/zinc/64/82/88/1125648288.db2.gz NXPZRGIIHLFIAR-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO CCc1cnccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000154847518 1125760404 /nfs/dbraw/zinc/76/04/04/1125760404.db2.gz REJISFXXVJITGS-UHFFFAOYSA-N 1 2 344.484 3.585 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000154836577 1125758822 /nfs/dbraw/zinc/75/88/22/1125758822.db2.gz HKIKHDPZGMMWGY-GOEBONIOSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000154836577 1125758827 /nfs/dbraw/zinc/75/88/27/1125758827.db2.gz HKIKHDPZGMMWGY-GOEBONIOSA-N 1 2 342.439 3.872 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000622685627 1126742550 /nfs/dbraw/zinc/74/25/50/1126742550.db2.gz BQNIWYDGUAVMGN-CQSZACIVSA-N 1 2 345.512 3.605 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3cc4ccccc4o3)CC2)c(C)o1 ZINC000171176094 1126754884 /nfs/dbraw/zinc/75/48/84/1126754884.db2.gz NXTJTONWKVZOHB-UHFFFAOYSA-N 1 2 338.407 3.601 20 0 EHADLO CC(C)(C)C1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000172112358 1126780829 /nfs/dbraw/zinc/78/08/29/1126780829.db2.gz OLOUUUHCSOJSPM-UHFFFAOYSA-N 1 2 344.503 3.650 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000339439921 1126844651 /nfs/dbraw/zinc/84/46/51/1126844651.db2.gz ZDDZUHJAPRXEAN-IIDMSEBBSA-N 1 2 345.874 3.825 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000175020120 1126864831 /nfs/dbraw/zinc/86/48/31/1126864831.db2.gz SYHQPPYKMINZEN-STQMWFEESA-N 1 2 334.822 3.835 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000623222016 1126894894 /nfs/dbraw/zinc/89/48/94/1126894894.db2.gz DAHDRWHCWUOHIX-GFCCVEGCSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000623222016 1126894899 /nfs/dbraw/zinc/89/48/99/1126894899.db2.gz DAHDRWHCWUOHIX-GFCCVEGCSA-N 1 2 340.652 3.993 20 0 EHADLO Cn1nc(-c2ccccc2)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001125084417 1126900842 /nfs/dbraw/zinc/90/08/42/1126900842.db2.gz WWTDBOZCXDETFA-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC000623244184 1126903528 /nfs/dbraw/zinc/90/35/28/1126903528.db2.gz BQJYLUQYHYZGDE-UHFFFAOYSA-N 1 2 342.830 3.953 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC000623244184 1126903531 /nfs/dbraw/zinc/90/35/31/1126903531.db2.gz BQJYLUQYHYZGDE-UHFFFAOYSA-N 1 2 342.830 3.953 20 0 EHADLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000671307704 1126904982 /nfs/dbraw/zinc/90/49/82/1126904982.db2.gz DOTSRJDVPRBZKI-OAHLLOKOSA-N 1 2 342.462 3.624 20 0 EHADLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000671307704 1126904983 /nfs/dbraw/zinc/90/49/83/1126904983.db2.gz DOTSRJDVPRBZKI-OAHLLOKOSA-N 1 2 342.462 3.624 20 0 EHADLO CC(C)(C)c1ccc(CCCCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623267903 1126906560 /nfs/dbraw/zinc/90/65/60/1126906560.db2.gz APNJTZSVWRHMSP-GOSISDBHSA-N 1 2 339.483 3.635 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623259167 1126907291 /nfs/dbraw/zinc/90/72/91/1126907291.db2.gz SVYZUSJXWKYYAG-WAGVIYRNSA-N 1 2 329.488 3.557 20 0 EHADLO Brc1ccnc2c1C[N@@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000623287245 1126909812 /nfs/dbraw/zinc/90/98/12/1126909812.db2.gz VVWQDTDBQIFQQN-QGZVFWFLSA-N 1 2 329.241 3.890 20 0 EHADLO Brc1ccnc2c1C[N@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000623287245 1126909815 /nfs/dbraw/zinc/90/98/15/1126909815.db2.gz VVWQDTDBQIFQQN-QGZVFWFLSA-N 1 2 329.241 3.890 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301095 1126910516 /nfs/dbraw/zinc/91/05/16/1126910516.db2.gz DTVLEAWYWUJBON-JCYILVPMSA-N 1 2 331.504 3.947 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1ncc(Br)cc1F ZINC000623347071 1126924280 /nfs/dbraw/zinc/92/42/80/1126924280.db2.gz NHOLWOPBBDAXGQ-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(C)c(Br)cn1)c1nccs1 ZINC000623426529 1126953200 /nfs/dbraw/zinc/95/32/00/1126953200.db2.gz PPSRRVUOTKAQNF-GFCCVEGCSA-N 1 2 326.263 3.850 20 0 EHADLO CC(C)[C@@H]1C[C@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000623486871 1126965415 /nfs/dbraw/zinc/96/54/15/1126965415.db2.gz LQFGFRGDUQNVRU-OALUTQOASA-N 1 2 340.471 3.847 20 0 EHADLO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000185782961 1127011039 /nfs/dbraw/zinc/01/10/39/1127011039.db2.gz QQQSXVZNCNIZCF-NXEZZACHSA-N 1 2 346.240 3.760 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000178366862 1127016398 /nfs/dbraw/zinc/01/63/98/1127016398.db2.gz SFKXIQQAZYFSGS-VXGBXAGGSA-N 1 2 345.468 3.586 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1F ZINC000178460118 1127018518 /nfs/dbraw/zinc/01/85/18/1127018518.db2.gz UNQFHDXSQVXDJR-GFCCVEGCSA-N 1 2 325.387 3.937 20 0 EHADLO Cc1ccc(-c2nn(Cc3c[nH+]cn3C)cc2Br)cc1C ZINC000349409543 1127038925 /nfs/dbraw/zinc/03/89/25/1127038925.db2.gz KMSGQWYBWYNFPM-UHFFFAOYSA-N 1 2 345.244 3.711 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000179254688 1127053756 /nfs/dbraw/zinc/05/37/56/1127053756.db2.gz QVISHNIBXKAFBS-SFHVURJKSA-N 1 2 339.483 3.807 20 0 EHADLO COc1cc(F)c([C@H](C)Nc2[nH+]c3ccccc3n2C)cc1OC ZINC000179297686 1127055889 /nfs/dbraw/zinc/05/58/89/1127055889.db2.gz MGUZUCMUVBIRPK-NSHDSACASA-N 1 2 329.375 3.903 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000179640685 1127077139 /nfs/dbraw/zinc/07/71/39/1127077139.db2.gz CNSCWFRHYAUCCZ-HNNXBMFYSA-N 1 2 339.414 3.846 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000179917527 1127100153 /nfs/dbraw/zinc/10/01/53/1127100153.db2.gz POPNDKUSNAGEFM-IZHWHUGBSA-N 1 2 343.496 3.982 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2ncc(Cl)cc2Cl)cc1 ZINC000180238573 1127135744 /nfs/dbraw/zinc/13/57/44/1127135744.db2.gz BYHSLZXCRIJXHF-OAHLLOKOSA-N 1 2 341.238 3.610 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774095 1127186380 /nfs/dbraw/zinc/18/63/80/1127186380.db2.gz OOHXWIPIKIZEQY-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774095 1127186384 /nfs/dbraw/zinc/18/63/84/1127186384.db2.gz OOHXWIPIKIZEQY-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623866205 1127201713 /nfs/dbraw/zinc/20/17/13/1127201713.db2.gz OGAFPDPWGFOBDV-BBRMVZONSA-N 1 2 343.496 3.839 20 0 EHADLO O=C1[C@H]([NH2+][C@H]2CCCc3scnc32)CCN1c1ccccc1Cl ZINC000623913213 1127213662 /nfs/dbraw/zinc/21/36/62/1127213662.db2.gz ISQDUSOWOZXCKU-QWHCGFSZSA-N 1 2 347.871 3.569 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000623925798 1127217456 /nfs/dbraw/zinc/21/74/56/1127217456.db2.gz PHZAGAFXXNIQKL-GWCFXTLKSA-N 1 2 330.375 3.855 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@@H]2CCCn3ccnc32)c1F ZINC000624162401 1127262003 /nfs/dbraw/zinc/26/20/03/1127262003.db2.gz YJNPOPNTFIBBJC-LLVKDONJSA-N 1 2 342.187 3.549 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)n1 ZINC000181617624 1127285690 /nfs/dbraw/zinc/28/56/90/1127285690.db2.gz HZXXYHCBGREUMH-QGZVFWFLSA-N 1 2 335.398 3.900 20 0 EHADLO COCCc1noc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1 ZINC000181942109 1127303868 /nfs/dbraw/zinc/30/38/68/1127303868.db2.gz JZJIDBVMBGHALI-QGZVFWFLSA-N 1 2 329.444 3.670 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000182350781 1127325735 /nfs/dbraw/zinc/32/57/35/1127325735.db2.gz AMTHVVWYFRSZDR-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000182350781 1127325739 /nfs/dbraw/zinc/32/57/39/1127325739.db2.gz AMTHVVWYFRSZDR-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnc4n3CCCC4)oc21 ZINC000182660347 1127341646 /nfs/dbraw/zinc/34/16/46/1127341646.db2.gz NGYBKPNDYYXTLL-CYBMUJFWSA-N 1 2 340.427 3.610 20 0 EHADLO CSc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1F ZINC000182879971 1127352208 /nfs/dbraw/zinc/35/22/08/1127352208.db2.gz QAXRKRBPGITMQH-ZDUSSCGKSA-N 1 2 347.459 3.952 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1 ZINC000183066712 1127361400 /nfs/dbraw/zinc/36/14/00/1127361400.db2.gz WWVJKMYDNBIKOJ-NPMXOYFQSA-N 1 2 346.477 3.613 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000183199260 1127367459 /nfs/dbraw/zinc/36/74/59/1127367459.db2.gz UGQGQSJIIZWIKK-BTYIYWSLSA-N 1 2 343.279 3.598 20 0 EHADLO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1OC1CCCC1 ZINC000183263295 1127369779 /nfs/dbraw/zinc/36/97/79/1127369779.db2.gz AYFTWRIIUWVMKI-UHFFFAOYSA-N 1 2 326.396 3.972 20 0 EHADLO C[C@H](C[N@H+](C)Cc1nc(CCc2ccccc2)no1)c1nccs1 ZINC000184016780 1127392387 /nfs/dbraw/zinc/39/23/87/1127392387.db2.gz FVTWPFXSIPUGNY-CQSZACIVSA-N 1 2 342.468 3.547 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1nc(CCc2ccccc2)no1)c1nccs1 ZINC000184016780 1127392391 /nfs/dbraw/zinc/39/23/91/1127392391.db2.gz FVTWPFXSIPUGNY-CQSZACIVSA-N 1 2 342.468 3.547 20 0 EHADLO COCCCCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184008153 1127392443 /nfs/dbraw/zinc/39/24/43/1127392443.db2.gz WHMIQAJXTYBWSE-MRXNPFEDSA-N 1 2 331.378 3.895 20 0 EHADLO COCCCCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184008153 1127392447 /nfs/dbraw/zinc/39/24/47/1127392447.db2.gz WHMIQAJXTYBWSE-MRXNPFEDSA-N 1 2 331.378 3.895 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1C ZINC000184185422 1127397866 /nfs/dbraw/zinc/39/78/66/1127397866.db2.gz SUHOKXJDXYOLCG-SFHVURJKSA-N 1 2 344.455 3.838 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](COC)c2ccco2)cc1 ZINC000184556246 1127408332 /nfs/dbraw/zinc/40/83/32/1127408332.db2.gz ADTONERYDZENAH-RHSMWYFYSA-N 1 2 330.428 3.709 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000184813295 1127413863 /nfs/dbraw/zinc/41/38/63/1127413863.db2.gz ZRNQBYWBRFQUSD-MAUKXSAKSA-N 1 2 348.487 3.514 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1nccs1 ZINC000185093186 1127420022 /nfs/dbraw/zinc/42/00/22/1127420022.db2.gz DKRKOVRSJJCITL-JTQLQIEISA-N 1 2 348.453 3.539 20 0 EHADLO CC(C)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000185633085 1127429544 /nfs/dbraw/zinc/42/95/44/1127429544.db2.gz BSIRUYUAUKIPRD-UHFFFAOYSA-N 1 2 329.469 3.665 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)CCc1c[nH+]cn1C ZINC000193063788 1127432462 /nfs/dbraw/zinc/43/24/62/1127432462.db2.gz JNCTYSSEKZJNNH-UHFFFAOYSA-N 1 2 333.435 3.678 20 0 EHADLO Cc1csc(C2([NH2+]CN3C(=O)[C@@H](C)[C@@H]3c3ccccc3)CCC2)n1 ZINC000764113986 1127444612 /nfs/dbraw/zinc/44/46/12/1127444612.db2.gz SGFQDBUFLGCVAR-GOEBONIOSA-N 1 2 341.480 3.597 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)cc(Cl)c1 ZINC000764212827 1127462678 /nfs/dbraw/zinc/46/26/78/1127462678.db2.gz PKSONATUEYRRFA-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO O=C(COC/C=C\c1ccccc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000764208245 1127463792 /nfs/dbraw/zinc/46/37/92/1127463792.db2.gz NPARMHWQGBWSTE-DAXSKMNVSA-N 1 2 348.402 3.646 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)N(CC(C)C)C3CC3)c2c1 ZINC000195681164 1127481784 /nfs/dbraw/zinc/48/17/84/1127481784.db2.gz AMLZHBYBWOHYJR-UHFFFAOYSA-N 1 2 342.439 3.578 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1cccc2nsnc21 ZINC000764548497 1127506058 /nfs/dbraw/zinc/50/60/58/1127506058.db2.gz IHIPPCPEEXUMOQ-UHFFFAOYSA-N 1 2 332.816 3.586 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1cccc2nsnc21 ZINC000764554830 1127506459 /nfs/dbraw/zinc/50/64/59/1127506459.db2.gz XUKCSNLCOUTKDT-UHFFFAOYSA-N 1 2 332.816 3.586 20 0 EHADLO C[C@H]1CC[N@H+](Cn2ncc3ccccc3c2=O)CC12CCCCC2 ZINC000764957054 1127557862 /nfs/dbraw/zinc/55/78/62/1127557862.db2.gz YLTJEKXZDZTUHR-INIZCTEOSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@H]1CC[N@@H+](Cn2ncc3ccccc3c2=O)CC12CCCCC2 ZINC000764957054 1127557866 /nfs/dbraw/zinc/55/78/66/1127557866.db2.gz YLTJEKXZDZTUHR-INIZCTEOSA-N 1 2 325.456 3.646 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C)CC2)nc1-c1ccccn1 ZINC000764948345 1127558333 /nfs/dbraw/zinc/55/83/33/1127558333.db2.gz ZWAHGUICUZPMIG-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C)CC2)nc1-c1ccccn1 ZINC000764948345 1127558334 /nfs/dbraw/zinc/55/83/34/1127558334.db2.gz ZWAHGUICUZPMIG-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765048960 1127566853 /nfs/dbraw/zinc/56/68/53/1127566853.db2.gz OACKVXPTAPZEOB-BETUJISGSA-N 1 2 334.464 3.785 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765048960 1127566857 /nfs/dbraw/zinc/56/68/57/1127566857.db2.gz OACKVXPTAPZEOB-BETUJISGSA-N 1 2 334.464 3.785 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000765305658 1127596522 /nfs/dbraw/zinc/59/65/22/1127596522.db2.gz BCTJQNJMWUXIGC-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO CNc1ccc(Nc2ccc3nccnc3c2Br)c[nH+]1 ZINC001203456787 1127615025 /nfs/dbraw/zinc/61/50/25/1127615025.db2.gz XAKGTACNTCEECN-UHFFFAOYSA-N 1 2 330.189 3.573 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)o3)n2)CC1 ZINC000022292480 1127691244 /nfs/dbraw/zinc/69/12/44/1127691244.db2.gz USBFMUUJPAVSMC-UHFFFAOYSA-N 1 2 339.848 3.874 20 0 EHADLO CCC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000024152111 1127703221 /nfs/dbraw/zinc/70/32/21/1127703221.db2.gz VNZUQRMDCWJJOX-AWEZNQCLSA-N 1 2 329.469 3.653 20 0 EHADLO CCC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000024152111 1127703225 /nfs/dbraw/zinc/70/32/25/1127703225.db2.gz VNZUQRMDCWJJOX-AWEZNQCLSA-N 1 2 329.469 3.653 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3c(Cl)n[nH]c3C3CC3)cc2)CC1 ZINC000921567805 1127750706 /nfs/dbraw/zinc/75/07/06/1127750706.db2.gz MFCFGBSCDZNRQQ-UHFFFAOYSA-N 1 2 346.862 3.514 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c(C2CCCC2)n1 ZINC000921607977 1127760550 /nfs/dbraw/zinc/76/05/50/1127760550.db2.gz DAOVUAUNVDZPQN-UHFFFAOYSA-N 1 2 335.455 3.553 20 0 EHADLO C[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccs1 ZINC000265578850 1127784368 /nfs/dbraw/zinc/78/43/68/1127784368.db2.gz WZFHFPGKXRWHKC-LSDHHAIUSA-N 1 2 344.480 3.884 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4sccc4[C@@H]3C)o2)cc1 ZINC000029599644 1127803278 /nfs/dbraw/zinc/80/32/78/1127803278.db2.gz RLTLSTVZGPHPEA-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4sccc4[C@@H]3C)o2)cc1 ZINC000029599644 1127803282 /nfs/dbraw/zinc/80/32/82/1127803282.db2.gz RLTLSTVZGPHPEA-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO C[NH+](C)Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000031231038 1127831298 /nfs/dbraw/zinc/83/12/98/1127831298.db2.gz KPSUCYXHBJBCCL-UHFFFAOYSA-N 1 2 338.386 3.530 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000032489248 1127853050 /nfs/dbraw/zinc/85/30/50/1127853050.db2.gz ATAPPZGRXCXKEP-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000032489248 1127853054 /nfs/dbraw/zinc/85/30/54/1127853054.db2.gz ATAPPZGRXCXKEP-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO CC(C)[C@@H]([NH2+]CCc1c(F)cccc1Cl)C(=O)OC(C)(C)C ZINC001168570446 1127862784 /nfs/dbraw/zinc/86/27/84/1127862784.db2.gz NGOCGJXSAMBKOM-OAHLLOKOSA-N 1 2 329.843 3.978 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccccc3)n2)CC1 ZINC000036652238 1127869118 /nfs/dbraw/zinc/86/91/18/1127869118.db2.gz CKBMGFRDMXPQFQ-UHFFFAOYSA-N 1 2 329.469 3.556 20 0 EHADLO Cc1cc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000042132308 1127886805 /nfs/dbraw/zinc/88/68/05/1127886805.db2.gz IQASPZWIQVNXKV-KRWDZBQOSA-N 1 2 349.434 3.584 20 0 EHADLO Cc1cc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000042132308 1127886810 /nfs/dbraw/zinc/88/68/10/1127886810.db2.gz IQASPZWIQVNXKV-KRWDZBQOSA-N 1 2 349.434 3.584 20 0 EHADLO Fc1cc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)nc1Cl ZINC001212352040 1127911886 /nfs/dbraw/zinc/91/18/86/1127911886.db2.gz FJVWSXWTRASJFB-UHFFFAOYSA-N 1 2 343.189 3.503 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043500028 1127920735 /nfs/dbraw/zinc/92/07/35/1127920735.db2.gz IMVDFFCUQPYFIE-UONOGXRCSA-N 1 2 336.505 3.829 20 0 EHADLO CC[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043499956 1127920799 /nfs/dbraw/zinc/92/07/99/1127920799.db2.gz NISAQLVBDRHVEX-AWEZNQCLSA-N 1 2 336.505 3.783 20 0 EHADLO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741695 1127941211 /nfs/dbraw/zinc/94/12/11/1127941211.db2.gz ZINOHUKPRLDGRX-UONOGXRCSA-N 1 2 348.878 3.725 20 0 EHADLO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741696 1127941252 /nfs/dbraw/zinc/94/12/52/1127941252.db2.gz ZINOHUKPRLDGRX-KBPBESRZSA-N 1 2 348.878 3.725 20 0 EHADLO CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC000045067754 1127945582 /nfs/dbraw/zinc/94/55/82/1127945582.db2.gz YHYWVAQQLICVIC-HXUWFJFHSA-N 1 2 348.450 3.739 20 0 EHADLO Cc1c(Nc2ccc[nH+]c2N2CCOCC2)cccc1C(F)(F)F ZINC001212358343 1127958238 /nfs/dbraw/zinc/95/82/38/1127958238.db2.gz GMXLDRFOFJWZPW-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](c3ncccc3C)C(C)C)ccc2[nH+]1 ZINC000265684124 1127985184 /nfs/dbraw/zinc/98/51/84/1127985184.db2.gz CQPGVYOKKSEVJH-KRWDZBQOSA-N 1 2 337.427 3.865 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000046879292 1127993841 /nfs/dbraw/zinc/99/38/41/1127993841.db2.gz DHNITYXSIFOQRB-YJBOKZPZSA-N 1 2 328.460 3.748 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000046945082 1127995831 /nfs/dbraw/zinc/99/58/31/1127995831.db2.gz RNUJSRFCVKSDEG-UHFFFAOYSA-N 1 2 348.834 3.676 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCc2ccccc21 ZINC000047298113 1128005086 /nfs/dbraw/zinc/00/50/86/1128005086.db2.gz SQHAIQLFVIGXAF-HXUWFJFHSA-N 1 2 331.419 3.691 20 0 EHADLO COc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000084083512 1128008126 /nfs/dbraw/zinc/00/81/26/1128008126.db2.gz GEEBGVSEOLVTMN-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)F)cc1 ZINC000338662525 1128011796 /nfs/dbraw/zinc/01/17/96/1128011796.db2.gz OZCBXSVKVQDLJS-UHFFFAOYSA-N 1 2 345.324 3.879 20 0 EHADLO CC(=O)c1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC001212366195 1128040402 /nfs/dbraw/zinc/04/04/02/1128040402.db2.gz GGBCJRWMZYFLQM-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000057375038 1128045936 /nfs/dbraw/zinc/04/59/36/1128045936.db2.gz FTEMOODUYWQYNW-GOSISDBHSA-N 1 2 328.460 3.750 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000058414562 1128067866 /nfs/dbraw/zinc/06/78/66/1128067866.db2.gz PRCKIWZTJLYECX-UHFFFAOYSA-N 1 2 348.450 3.792 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000058605203 1128073807 /nfs/dbraw/zinc/07/38/07/1128073807.db2.gz MNFUNUWGVYYILT-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000058794873 1128080982 /nfs/dbraw/zinc/08/09/82/1128080982.db2.gz FPNYSUUZTODMEE-DZGCQCFKSA-N 1 2 345.512 3.914 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2cccc(F)c2)c1C ZINC000058958729 1128086413 /nfs/dbraw/zinc/08/64/13/1128086413.db2.gz WPVLKBHANLSTEP-CMDGGOBGSA-N 1 2 328.387 3.518 20 0 EHADLO Cc1ccc(SCC[NH+]2CCN(CC(F)(F)F)CC2)cc1C ZINC000059852977 1128091435 /nfs/dbraw/zinc/09/14/35/1128091435.db2.gz BNMCRMMKACDIFB-UHFFFAOYSA-N 1 2 332.435 3.575 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cn3ccccc3n2)ccc1OC(F)F ZINC000061761035 1128128844 /nfs/dbraw/zinc/12/88/44/1128128844.db2.gz SNUSRTZBKOKLJG-UHFFFAOYSA-N 1 2 347.365 3.576 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cn3ccccc3n2)ccc1OC(F)F ZINC000061761035 1128128848 /nfs/dbraw/zinc/12/88/48/1128128848.db2.gz SNUSRTZBKOKLJG-UHFFFAOYSA-N 1 2 347.365 3.576 20 0 EHADLO Brc1ccc2c(c1)CCN(Cc1ccc3[nH+]ccn3c1)C2 ZINC001143018142 1128146168 /nfs/dbraw/zinc/14/61/68/1128146168.db2.gz GOIQNPCBKVTQOA-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nnc2ccccc2c1=S ZINC000734477931 1131242286 /nfs/dbraw/zinc/24/22/86/1131242286.db2.gz VNFOIUGJVYXVBF-GDBMZVCRSA-N 1 2 336.464 3.996 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nnc2ccccc2c1=S ZINC000734477931 1131242288 /nfs/dbraw/zinc/24/22/88/1131242288.db2.gz VNFOIUGJVYXVBF-GDBMZVCRSA-N 1 2 336.464 3.996 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000065544725 1128193693 /nfs/dbraw/zinc/19/36/93/1128193693.db2.gz NWUOLJKWUWBKAO-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO CCOc1nnc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000067962286 1128254638 /nfs/dbraw/zinc/25/46/38/1128254638.db2.gz ACUSEVZOWXBOJH-UHFFFAOYSA-N 1 2 342.468 3.798 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1nc(C2CC2)no1 ZINC000671752055 1128212890 /nfs/dbraw/zinc/21/28/90/1128212890.db2.gz CFGZYCYFVMFWBT-ZUZCIYMTSA-N 1 2 342.399 3.842 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)no1 ZINC000066875334 1128229923 /nfs/dbraw/zinc/22/99/23/1128229923.db2.gz SVCNXQOVCBSMRE-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067523294 1128243412 /nfs/dbraw/zinc/24/34/12/1128243412.db2.gz FDLXKCQAZNRAEL-QGZVFWFLSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1ccc(-c2noc(COc3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000072674240 1128304149 /nfs/dbraw/zinc/30/41/49/1128304149.db2.gz IFCCDEFCLCKQOP-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)cc1O ZINC000072923915 1128310003 /nfs/dbraw/zinc/31/00/03/1128310003.db2.gz KLAUXVGXICYYIZ-UHFFFAOYSA-N 1 2 346.374 3.901 20 0 EHADLO Cc1noc(C)c1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000073103057 1128316499 /nfs/dbraw/zinc/31/64/99/1128316499.db2.gz ZNEYYDDXTHSXKV-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2cc[nH+]c2)s1 ZINC000073172346 1128318116 /nfs/dbraw/zinc/31/81/16/1128318116.db2.gz ZHFIZOOYRDTBTK-UHFFFAOYSA-N 1 2 339.464 3.525 20 0 EHADLO CCOc1ccc(CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000074168221 1128336584 /nfs/dbraw/zinc/33/65/84/1128336584.db2.gz YTFPMZJVVOMFCJ-UHFFFAOYSA-N 1 2 349.434 3.852 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H](C)c1ccccc1 ZINC000368931487 1128356580 /nfs/dbraw/zinc/35/65/80/1128356580.db2.gz IROVFRSXNRYBCE-SOLBZPMBSA-N 1 2 340.471 3.501 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168614231 1128387348 /nfs/dbraw/zinc/38/73/48/1128387348.db2.gz LELBCNPZTCUWNT-MJGOQNOKSA-N 1 2 349.471 3.628 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccco1 ZINC000921646453 1128418438 /nfs/dbraw/zinc/41/84/38/1128418438.db2.gz FTLDWWSPKLTFPO-OAHLLOKOSA-N 1 2 330.384 3.630 20 0 EHADLO CCC(F)(F)C(C)(C)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000624592397 1128401055 /nfs/dbraw/zinc/40/10/55/1128401055.db2.gz GENKCRHPSHWZEP-UHFFFAOYSA-N 1 2 330.448 3.513 20 0 EHADLO CCC(F)(F)C(C)(C)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000624592397 1128401058 /nfs/dbraw/zinc/40/10/58/1128401058.db2.gz GENKCRHPSHWZEP-UHFFFAOYSA-N 1 2 330.448 3.513 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)cc2)[nH+]c1C ZINC000921655381 1128437234 /nfs/dbraw/zinc/43/72/34/1128437234.db2.gz ROVOZIDPHWYTOH-DIFFPNOSSA-N 1 2 349.438 3.721 20 0 EHADLO CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921657700 1128438747 /nfs/dbraw/zinc/43/87/47/1128438747.db2.gz ZASNZGPDZVRLFY-DOTOQJQBSA-N 1 2 327.428 3.837 20 0 EHADLO C[C@@H]1C[C@H](CO)CCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000624725797 1128501331 /nfs/dbraw/zinc/50/13/31/1128501331.db2.gz SQYRGEWINISHMI-VXGBXAGGSA-N 1 2 335.245 3.595 20 0 EHADLO CCCCn1c(SC[C@@H]2CCO[C@@H]2C)nnc1[C@H](CC)[NH+](C)C ZINC000630997711 1128527546 /nfs/dbraw/zinc/52/75/46/1128527546.db2.gz KLSYGWUTZBLTKU-ILXRZTDVSA-N 1 2 340.537 3.608 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@@H](C)[C@H](C)C3)cn2c1 ZINC000542680574 1128533146 /nfs/dbraw/zinc/53/31/46/1128533146.db2.gz BOCSYFRJNYHISU-BZUAXINKSA-N 1 2 345.512 3.817 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000465626694 1128534535 /nfs/dbraw/zinc/53/45/35/1128534535.db2.gz HWRPRBLCNMCTQW-SFHVURJKSA-N 1 2 340.471 3.594 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c(OC)c1 ZINC000542708603 1128550268 /nfs/dbraw/zinc/55/02/68/1128550268.db2.gz HDZMVMGFEKXPHE-HXUWFJFHSA-N 1 2 341.451 3.537 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c(OC)c1 ZINC000542708603 1128550269 /nfs/dbraw/zinc/55/02/69/1128550269.db2.gz HDZMVMGFEKXPHE-HXUWFJFHSA-N 1 2 341.451 3.537 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ncc[nH]1 ZINC000353523382 1128585701 /nfs/dbraw/zinc/58/57/01/1128585701.db2.gz TWZDKGJBONJJMG-KDOFPFPSSA-N 1 2 349.413 3.991 20 0 EHADLO CCN(Cc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057375682 1128634160 /nfs/dbraw/zinc/63/41/60/1128634160.db2.gz JIBDXSOAKYGDSP-UHFFFAOYSA-N 1 2 334.851 3.548 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057376696 1128634252 /nfs/dbraw/zinc/63/42/52/1128634252.db2.gz IKASVEAEOBTHAO-OAHLLOKOSA-N 1 2 340.427 3.812 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000057424900 1128638238 /nfs/dbraw/zinc/63/82/38/1128638238.db2.gz IRZUBWHGDNTPOW-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO Cc1ccccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582154 1128740534 /nfs/dbraw/zinc/74/05/34/1128740534.db2.gz JGNNAAIYBGCKGN-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000672140952 1128792676 /nfs/dbraw/zinc/79/26/76/1128792676.db2.gz RLHIXQCDJDNEQK-WMZOPIPTSA-N 1 2 341.455 3.672 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c(Cl)c21 ZINC000672154381 1128818829 /nfs/dbraw/zinc/81/88/29/1128818829.db2.gz IQDUHZWDJZRDTC-NSHDSACASA-N 1 2 345.855 3.804 20 0 EHADLO C[C@@H]1CCc2c(sc3ncnc(NCCNc4cccc[nH+]4)c23)C1 ZINC000007337609 1128861941 /nfs/dbraw/zinc/86/19/41/1128861941.db2.gz CXCHEGSLHXBDGP-GFCCVEGCSA-N 1 2 339.468 3.735 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N[C@H]3CCC[N@H+](CCF)C3)o2)cc1 ZINC001648879844 1120060281 /nfs/dbraw/zinc/06/02/81/1120060281.db2.gz BFWXSRYKKBZNHN-KRWDZBQOSA-N 1 2 344.430 3.673 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCF)C3)o2)cc1 ZINC001648879844 1120060288 /nfs/dbraw/zinc/06/02/88/1120060288.db2.gz BFWXSRYKKBZNHN-KRWDZBQOSA-N 1 2 344.430 3.673 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(Br)c1 ZINC000007811731 1128887531 /nfs/dbraw/zinc/88/75/31/1128887531.db2.gz ISWSWAJKLXRNJG-STQMWFEESA-N 1 2 339.277 3.674 20 0 EHADLO C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001670702568 1120103748 /nfs/dbraw/zinc/10/37/48/1120103748.db2.gz DNIFFNGSPLUQQA-GQIGUUNPSA-N 1 2 344.503 3.564 20 0 EHADLO OCC1CCN(c2ccc(NC/C=C/c3ccc(F)cc3)[nH+]c2)CC1 ZINC000129007123 1120139021 /nfs/dbraw/zinc/13/90/21/1120139021.db2.gz IFQGKHPTPSAJKV-OWOJBTEDSA-N 1 2 341.430 3.555 20 0 EHADLO c1cn(C2CCCC2)nc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000129036056 1120140023 /nfs/dbraw/zinc/14/00/23/1120140023.db2.gz OEOWZZDSPVFQFT-UHFFFAOYSA-N 1 2 335.455 3.533 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001687360695 1120176177 /nfs/dbraw/zinc/17/61/77/1120176177.db2.gz JHSYJOGEZDUKOJ-YLJYHZDGSA-N 1 2 341.499 3.785 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001687360695 1120176180 /nfs/dbraw/zinc/17/61/80/1120176180.db2.gz JHSYJOGEZDUKOJ-YLJYHZDGSA-N 1 2 341.499 3.785 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000355270853 1128909896 /nfs/dbraw/zinc/90/98/96/1128909896.db2.gz SJGDNNMIHHJUCX-UHFFFAOYSA-N 1 2 327.472 3.747 20 0 EHADLO Brc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000265785725 1128913501 /nfs/dbraw/zinc/91/35/01/1128913501.db2.gz GUJPPYVZQVWUGX-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@@H](c3ccccc3)C3CC3)n2)cc1 ZINC000186424072 1120460028 /nfs/dbraw/zinc/46/00/28/1120460028.db2.gz XRUOJOWZSNVNRD-FQEVSTJZSA-N 1 2 334.423 3.625 20 0 EHADLO O=C(C[C@H]1C=CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187053503 1120484849 /nfs/dbraw/zinc/48/48/49/1120484849.db2.gz KESMOKSJMKSXQJ-INIZCTEOSA-N 1 2 325.412 3.647 20 0 EHADLO Cc1ccc(CSc2nnnn2-c2c(C)cccc2C)c(C)[nH+]1 ZINC000187328390 1120494379 /nfs/dbraw/zinc/49/43/79/1120494379.db2.gz HFYAWOKSCMQQRQ-UHFFFAOYSA-N 1 2 325.441 3.583 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168695379 1128920550 /nfs/dbraw/zinc/92/05/50/1128920550.db2.gz YSVYOURZLZBOKO-QFBILLFUSA-N 1 2 343.854 3.571 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)C/C(C)=C\c2ccccc2)cc1 ZINC000494263100 1120523686 /nfs/dbraw/zinc/52/36/86/1120523686.db2.gz VIQFRLVHXKKGJT-SSZFMOIBSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)C/C(C)=C\c2ccccc2)cc1 ZINC000494263100 1120523687 /nfs/dbraw/zinc/52/36/87/1120523687.db2.gz VIQFRLVHXKKGJT-SSZFMOIBSA-N 1 2 336.435 3.863 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000494267642 1120524614 /nfs/dbraw/zinc/52/46/14/1120524614.db2.gz IGUNGCQZUDUQED-WQLSENKSSA-N 1 2 325.334 3.710 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000494267642 1120524617 /nfs/dbraw/zinc/52/46/17/1120524617.db2.gz IGUNGCQZUDUQED-WQLSENKSSA-N 1 2 325.334 3.710 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@H](CO)c3sccc3C)o2)cc1 ZINC000494651722 1120706471 /nfs/dbraw/zinc/70/64/71/1120706471.db2.gz VNVXAJKAKOMLIH-OAHLLOKOSA-N 1 2 344.436 3.543 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000494636815 1120709865 /nfs/dbraw/zinc/70/98/65/1120709865.db2.gz MDZFOUGFFFSIDJ-UKRRQHHQSA-N 1 2 343.452 3.799 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000494664197 1120715738 /nfs/dbraw/zinc/71/57/38/1120715738.db2.gz GRFXNVITEQCQSA-INIZCTEOSA-N 1 2 347.409 3.542 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000494664197 1120715742 /nfs/dbraw/zinc/71/57/42/1120715742.db2.gz GRFXNVITEQCQSA-INIZCTEOSA-N 1 2 347.409 3.542 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000192256363 1120727618 /nfs/dbraw/zinc/72/76/18/1120727618.db2.gz MVNIFZJAONSKCN-QGZVFWFLSA-N 1 2 349.519 3.812 20 0 EHADLO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nc(N(C)C)no2)C2CC2)cc1 ZINC000192787535 1120748942 /nfs/dbraw/zinc/74/89/42/1120748942.db2.gz MVUUPUMEMOGQNW-GOSISDBHSA-N 1 2 328.460 3.575 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccc(C)cc2)c1C ZINC000195150599 1120768201 /nfs/dbraw/zinc/76/82/01/1120768201.db2.gz URHJFICSBVUTEL-MRXNPFEDSA-N 1 2 341.455 3.918 20 0 EHADLO O=C(Cc1ccc(Cl)s1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193445460 1120776644 /nfs/dbraw/zinc/77/66/44/1120776644.db2.gz WQQRKHSBJFCHHV-UHFFFAOYSA-N 1 2 335.791 3.908 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000195360443 1120778650 /nfs/dbraw/zinc/77/86/50/1120778650.db2.gz JJTVUUVGXYDHLS-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C)CCCCC3)cn2c1 ZINC000193688841 1120792255 /nfs/dbraw/zinc/79/22/55/1120792255.db2.gz MDNTXGNPOUIFMD-UHFFFAOYSA-N 1 2 331.485 3.715 20 0 EHADLO CSc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194387047 1120840046 /nfs/dbraw/zinc/84/00/46/1120840046.db2.gz JKEZADVFXWLRPV-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO CC[NH+](CC)[C@@H](CN[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccco1 ZINC000494875755 1120890443 /nfs/dbraw/zinc/89/04/43/1120890443.db2.gz CIUMFMIZHXDLGZ-FUHWJXTLSA-N 1 2 345.491 3.692 20 0 EHADLO CCN(CC)[C@@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccco1 ZINC000494875755 1120890447 /nfs/dbraw/zinc/89/04/47/1120890447.db2.gz CIUMFMIZHXDLGZ-FUHWJXTLSA-N 1 2 345.491 3.692 20 0 EHADLO C[C@H](C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1)COCc1ccccc1 ZINC000494915358 1120900187 /nfs/dbraw/zinc/90/01/87/1120900187.db2.gz OFRBZOKPOFFOMD-APWZRJJASA-N 1 2 342.487 3.869 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([S@](C)=O)cc1 ZINC000494927823 1120907746 /nfs/dbraw/zinc/90/77/46/1120907746.db2.gz CZCTWNQGLAQDFZ-DEOSSOPVSA-N 1 2 340.448 3.711 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([S@](C)=O)cc1 ZINC000494927823 1120907748 /nfs/dbraw/zinc/90/77/48/1120907748.db2.gz CZCTWNQGLAQDFZ-DEOSSOPVSA-N 1 2 340.448 3.711 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCSC1 ZINC000494962589 1120913356 /nfs/dbraw/zinc/91/33/56/1120913356.db2.gz VNLJOCIRLAVKME-HZMBPMFUSA-N 1 2 348.295 3.892 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCSC1 ZINC000494962589 1120913360 /nfs/dbraw/zinc/91/33/60/1120913360.db2.gz VNLJOCIRLAVKME-HZMBPMFUSA-N 1 2 348.295 3.892 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCSC1 ZINC000494962591 1120913557 /nfs/dbraw/zinc/91/35/57/1120913557.db2.gz VNLJOCIRLAVKME-QMTHXVAHSA-N 1 2 348.295 3.892 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCSC1 ZINC000494962591 1120913562 /nfs/dbraw/zinc/91/35/62/1120913562.db2.gz VNLJOCIRLAVKME-QMTHXVAHSA-N 1 2 348.295 3.892 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000495000899 1120926214 /nfs/dbraw/zinc/92/62/14/1120926214.db2.gz YHXSGRWSFYZVCI-UHFFFAOYSA-N 1 2 348.288 3.985 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000495000899 1120926217 /nfs/dbraw/zinc/92/62/17/1120926217.db2.gz YHXSGRWSFYZVCI-UHFFFAOYSA-N 1 2 348.288 3.985 20 0 EHADLO C[N@H+](CCOCC1CC1)Cc1c(F)ccc(Br)c1F ZINC000230346351 1121002032 /nfs/dbraw/zinc/00/20/32/1121002032.db2.gz MMTOQBAWFQFSJI-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO C[N@@H+](CCOCC1CC1)Cc1c(F)ccc(Br)c1F ZINC000230346351 1121002037 /nfs/dbraw/zinc/00/20/37/1121002037.db2.gz MMTOQBAWFQFSJI-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO c1cn2ccc(CNc3nn4cc(-c5ccccc5)nc4s3)cc2[nH+]1 ZINC000761935221 1121012373 /nfs/dbraw/zinc/01/23/73/1121012373.db2.gz XVIRWLVKGLOJJZ-UHFFFAOYSA-N 1 2 346.419 3.718 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000076849689 1128956551 /nfs/dbraw/zinc/95/65/51/1128956551.db2.gz AWFDQAYWOSVBJC-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOc3ccccc3C2)cc1 ZINC000076849689 1128956553 /nfs/dbraw/zinc/95/65/53/1128956553.db2.gz AWFDQAYWOSVBJC-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO C[C@H](Nc1cccc(CN2CCOCC2)[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156276 1121116239 /nfs/dbraw/zinc/11/62/39/1121116239.db2.gz PAMYDRGNRXCONI-VDGAXYAQSA-N 1 2 337.467 3.518 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000762498862 1121327312 /nfs/dbraw/zinc/32/73/12/1121327312.db2.gz ZYQULVITTJIKAV-XLIONFOSSA-N 1 2 337.467 3.911 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000762498862 1121327319 /nfs/dbraw/zinc/32/73/19/1121327319.db2.gz ZYQULVITTJIKAV-XLIONFOSSA-N 1 2 337.467 3.911 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000495680727 1121354038 /nfs/dbraw/zinc/35/40/38/1121354038.db2.gz WGSKXHVGXDYSDP-ZDUSSCGKSA-N 1 2 349.456 3.504 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000495680727 1121354047 /nfs/dbraw/zinc/35/40/47/1121354047.db2.gz WGSKXHVGXDYSDP-ZDUSSCGKSA-N 1 2 349.456 3.504 20 0 EHADLO Cc1ccc(NC(=O)CCCc2cc(F)ccc2F)c(N(C)C)[nH+]1 ZINC001127364811 1121395254 /nfs/dbraw/zinc/39/52/54/1121395254.db2.gz FBVUAZJXDLGQDR-UHFFFAOYSA-N 1 2 333.382 3.696 20 0 EHADLO CCCCn1c(S[C@H](C)c2ncccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000915471436 1121422426 /nfs/dbraw/zinc/42/24/26/1121422426.db2.gz JKQKKFGDDISAFI-ZIAGYGMSSA-N 1 2 348.520 3.734 20 0 EHADLO Cc1sc(Cl)nc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000762846391 1121453636 /nfs/dbraw/zinc/45/36/36/1121453636.db2.gz ZZFSQSHKTGBOTR-UHFFFAOYSA-N 1 2 336.779 3.682 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCc3sccc32)cs1 ZINC000236844385 1121465532 /nfs/dbraw/zinc/46/55/32/1121465532.db2.gz UFQJAQJKBCPVNG-AWEZNQCLSA-N 1 2 335.498 3.745 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)CCCn3cc[nH+]c3)oc21 ZINC000122687511 1121528180 /nfs/dbraw/zinc/52/81/80/1121528180.db2.gz SNWNLTDLEQLZEQ-CQSZACIVSA-N 1 2 341.411 3.686 20 0 EHADLO C[C@@H](CCCC(C)(C)O)Nc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001168698609 1128993960 /nfs/dbraw/zinc/99/39/60/1128993960.db2.gz LIMFAUACKUIVIM-AWEZNQCLSA-N 1 2 336.476 3.707 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Br)s1 ZINC000393395078 1121636696 /nfs/dbraw/zinc/63/66/96/1121636696.db2.gz CXBAPWMJMRFNCN-SSDOTTSWSA-N 1 2 334.670 3.748 20 0 EHADLO COc1cccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c1 ZINC000496092440 1121686631 /nfs/dbraw/zinc/68/66/31/1121686631.db2.gz KRRQKQZLKPPZFE-UHFFFAOYSA-N 1 2 343.427 3.727 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000921994930 1129006624 /nfs/dbraw/zinc/00/66/24/1129006624.db2.gz RAHMFLGOWUIJNS-UHFFFAOYSA-N 1 2 326.227 3.504 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(-c2cnco2)cc1 ZINC000054777367 1121781125 /nfs/dbraw/zinc/78/11/25/1121781125.db2.gz WQYIFGAKDQRVME-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1cc(C)c(C[N@H+](C)Cc2cn[nH]c2)c(OCc2ccccc2)n1 ZINC000672551379 1129012624 /nfs/dbraw/zinc/01/26/24/1129012624.db2.gz OMWOWQVTPQEKJA-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO Cc1cc(C)c(C[N@@H+](C)Cc2cn[nH]c2)c(OCc2ccccc2)n1 ZINC000672551379 1129012629 /nfs/dbraw/zinc/01/26/29/1129012629.db2.gz OMWOWQVTPQEKJA-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cc(Cl)ccc1F ZINC000656681274 1129013526 /nfs/dbraw/zinc/01/35/26/1129013526.db2.gz CLYSAEQWSYSCJE-RKDXNWHRSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444127139 1121868245 /nfs/dbraw/zinc/86/82/45/1121868245.db2.gz UXFNQQAWTXODPO-OWCLPIDISA-N 1 2 332.492 3.524 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(C)(C)C2CCCCC2)C1 ZINC000444135819 1121874958 /nfs/dbraw/zinc/87/49/58/1121874958.db2.gz ZIHIGKLZGAVKQL-MRXNPFEDSA-N 1 2 346.519 3.916 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000672577276 1129017303 /nfs/dbraw/zinc/01/73/03/1129017303.db2.gz VNDAAPXFGLCMMX-INIZCTEOSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000672577276 1129017306 /nfs/dbraw/zinc/01/73/06/1129017306.db2.gz VNDAAPXFGLCMMX-INIZCTEOSA-N 1 2 338.411 3.723 20 0 EHADLO CCOc1cccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1OC(F)F ZINC000670273206 1121924367 /nfs/dbraw/zinc/92/43/67/1121924367.db2.gz HINWCCKOKUNRKO-NSHDSACASA-N 1 2 337.313 3.500 20 0 EHADLO CCOc1cccc(C[N@H+]2CC[C@H](OC(F)F)C2)c1OC(F)F ZINC000670273206 1121924373 /nfs/dbraw/zinc/92/43/73/1121924373.db2.gz HINWCCKOKUNRKO-NSHDSACASA-N 1 2 337.313 3.500 20 0 EHADLO S=c1nc(-c2ccc(Cl)cc2)[nH]n1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763332013 1121961722 /nfs/dbraw/zinc/96/17/22/1121961722.db2.gz LJSPMUHMABGBKC-ZDUSSCGKSA-N 1 2 334.876 3.950 20 0 EHADLO S=c1nc(-c2ccc(Cl)cc2)[nH]n1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763332013 1121961730 /nfs/dbraw/zinc/96/17/30/1121961730.db2.gz LJSPMUHMABGBKC-ZDUSSCGKSA-N 1 2 334.876 3.950 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)no1 ZINC000496270676 1122035236 /nfs/dbraw/zinc/03/52/36/1122035236.db2.gz CWPSMRYRULMHHR-CQSZACIVSA-N 1 2 345.443 3.859 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc3c(c2)CCC3)[nH+]1 ZINC000916237649 1122099686 /nfs/dbraw/zinc/09/96/86/1122099686.db2.gz NHSIRHDVGHMXAV-UHFFFAOYSA-N 1 2 339.435 3.685 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154092446 1122217897 /nfs/dbraw/zinc/21/78/97/1122217897.db2.gz LZSDMRGZTFPOFF-LLVKDONJSA-N 1 2 332.329 3.535 20 0 EHADLO COCC1CCC(Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CC1 ZINC000497148531 1122347562 /nfs/dbraw/zinc/34/75/62/1122347562.db2.gz HTCNITWEYIOEPG-UHFFFAOYSA-N 1 2 349.475 3.723 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126176692 1122391269 /nfs/dbraw/zinc/39/12/69/1122391269.db2.gz FAFXUIVLCUYDRS-VQIMIIECSA-N 1 2 339.483 3.833 20 0 EHADLO CCc1oc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C ZINC000126241460 1122397593 /nfs/dbraw/zinc/39/75/93/1122397593.db2.gz GEERZVGFLMOBCH-UHFFFAOYSA-N 1 2 339.395 3.678 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000649014778 1122439835 /nfs/dbraw/zinc/43/98/35/1122439835.db2.gz XBCXTJAWBPYDOJ-CVEARBPZSA-N 1 2 347.409 3.646 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000067556286 1122521260 /nfs/dbraw/zinc/52/12/60/1122521260.db2.gz BMQCPNGKALPANY-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000499595268 1129060587 /nfs/dbraw/zinc/06/05/87/1129060587.db2.gz VUOIDSGWPDVFHY-KBXCAEBGSA-N 1 2 347.480 3.781 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000499595268 1129060590 /nfs/dbraw/zinc/06/05/90/1129060590.db2.gz VUOIDSGWPDVFHY-KBXCAEBGSA-N 1 2 347.480 3.781 20 0 EHADLO O=C(NCCC1CCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154338895 1122565009 /nfs/dbraw/zinc/56/50/09/1122565009.db2.gz KHXVILNKDJDFPC-RTBURBONSA-N 1 2 338.455 3.601 20 0 EHADLO CC1CCC([N@H+](Cn2nc(-c3ccccc3)oc2=O)C2CC2)CC1 ZINC000917438195 1122602544 /nfs/dbraw/zinc/60/25/44/1122602544.db2.gz RGPYKYZWOTZJTC-UHFFFAOYSA-N 1 2 327.428 3.504 20 0 EHADLO CC1CCC([N@@H+](Cn2nc(-c3ccccc3)oc2=O)C2CC2)CC1 ZINC000917438195 1122602548 /nfs/dbraw/zinc/60/25/48/1122602548.db2.gz RGPYKYZWOTZJTC-UHFFFAOYSA-N 1 2 327.428 3.504 20 0 EHADLO Cc1cc2c(c(F)c1)N(C[N@@H+]1CCC[C@H]1C1CCCCC1)C(=O)C2=O ZINC000917480895 1122613148 /nfs/dbraw/zinc/61/31/48/1122613148.db2.gz VDFUJJLSJUHQDX-KRWDZBQOSA-N 1 2 344.430 3.666 20 0 EHADLO Cc1cc2c(c(F)c1)N(C[N@H+]1CCC[C@H]1C1CCCCC1)C(=O)C2=O ZINC000917480895 1122613153 /nfs/dbraw/zinc/61/31/53/1122613153.db2.gz VDFUJJLSJUHQDX-KRWDZBQOSA-N 1 2 344.430 3.666 20 0 EHADLO O=C(OCc1ccccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000917529772 1122629516 /nfs/dbraw/zinc/62/95/16/1122629516.db2.gz VRCAOQUZLWKPJJ-UHFFFAOYSA-N 1 2 326.783 3.942 20 0 EHADLO C[C@H](SCc1ccc(N)nc1)[C@H](C)SCc1ccc(N)[nH+]c1 ZINC000917535157 1122631156 /nfs/dbraw/zinc/63/11/56/1122631156.db2.gz ABOSWANICZIZPM-RYUDHWBXSA-N 1 2 334.514 3.585 20 0 EHADLO CO[C@@H](C)C(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000917576996 1122642311 /nfs/dbraw/zinc/64/23/11/1122642311.db2.gz OZXYJYASWMVUQP-IINYFYTJSA-N 1 2 343.210 3.509 20 0 EHADLO Cc1ccc2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)ccc2n1 ZINC000129122875 1122742006 /nfs/dbraw/zinc/74/20/06/1122742006.db2.gz DUPWJFUVQHXTRT-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069067670 1122750112 /nfs/dbraw/zinc/75/01/12/1122750112.db2.gz XNZVSCZXUGZVQV-LIRRHRJNSA-N 1 2 332.419 3.925 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069067670 1122750117 /nfs/dbraw/zinc/75/01/17/1122750117.db2.gz XNZVSCZXUGZVQV-LIRRHRJNSA-N 1 2 332.419 3.925 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000129321069 1122763707 /nfs/dbraw/zinc/76/37/07/1122763707.db2.gz JBGDEIGNMFFVCT-HOTGVXAUSA-N 1 2 328.481 3.757 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1nc(C(F)(F)F)cs1 ZINC000922072647 1129077396 /nfs/dbraw/zinc/07/73/96/1129077396.db2.gz MPJARHYONCPFRK-SECBINFHSA-N 1 2 328.359 3.948 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000556086763 1122805106 /nfs/dbraw/zinc/80/51/06/1122805106.db2.gz GWFMBWDGJCEZPD-CYBMUJFWSA-N 1 2 325.412 3.992 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000556086763 1122805112 /nfs/dbraw/zinc/80/51/12/1122805112.db2.gz GWFMBWDGJCEZPD-CYBMUJFWSA-N 1 2 325.412 3.992 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)nc2ccccc12 ZINC000556151957 1122845819 /nfs/dbraw/zinc/84/58/19/1122845819.db2.gz AAGDSHLGXJJJFG-UHFFFAOYSA-N 1 2 349.434 3.779 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H](c2cccs2)C2CC2)C1 ZINC000444878929 1122853706 /nfs/dbraw/zinc/85/37/06/1122853706.db2.gz VDYYATRSRPKAHZ-HOCLYGCPSA-N 1 2 344.484 3.522 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccc(F)c1 ZINC000130014356 1122866149 /nfs/dbraw/zinc/86/61/49/1122866149.db2.gz PUEWBWKRYYYNAA-HUUCEWRRSA-N 1 2 346.471 3.896 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000556237488 1122890570 /nfs/dbraw/zinc/89/05/70/1122890570.db2.gz DUVKMNNNEWBRLR-UHFFFAOYSA-N 1 2 332.363 3.853 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc3ccccc3c2)C1 ZINC000445025861 1122955989 /nfs/dbraw/zinc/95/59/89/1122955989.db2.gz UMMSUFIVDBTNKF-LJQANCHMSA-N 1 2 348.450 3.663 20 0 EHADLO O=C(Cn1c[nH+]c(Cc2ccccc2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000919137585 1122981168 /nfs/dbraw/zinc/98/11/68/1122981168.db2.gz UODRZPKOYIDDPQ-QFIPXVFZSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1cccc(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000131394216 1123097300 /nfs/dbraw/zinc/09/73/00/1123097300.db2.gz OLFVANDNVPGDLE-UHFFFAOYSA-N 1 2 339.370 3.727 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(C2CCCCC2)no1 ZINC000763440138 1123099688 /nfs/dbraw/zinc/09/96/88/1123099688.db2.gz ZXKREVKZHSIGGE-ZDUSSCGKSA-N 1 2 327.428 3.998 20 0 EHADLO CCc1ccsc1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000919678863 1123116933 /nfs/dbraw/zinc/11/69/33/1123116933.db2.gz GHZKILLYULXEER-UHFFFAOYSA-N 1 2 333.453 3.820 20 0 EHADLO CCC[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H]1CCCCO1 ZINC000072610773 1123129728 /nfs/dbraw/zinc/12/97/28/1123129728.db2.gz RAEIJHZAAKILLE-SFHVURJKSA-N 1 2 343.471 3.636 20 0 EHADLO CCC[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H]1CCCCO1 ZINC000072610773 1123129730 /nfs/dbraw/zinc/12/97/30/1123129730.db2.gz RAEIJHZAAKILLE-SFHVURJKSA-N 1 2 343.471 3.636 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000072697380 1123144637 /nfs/dbraw/zinc/14/46/37/1123144637.db2.gz RWICJAZKRSXJQX-TXEJJXNPSA-N 1 2 325.250 3.651 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000072697380 1123144640 /nfs/dbraw/zinc/14/46/40/1123144640.db2.gz RWICJAZKRSXJQX-TXEJJXNPSA-N 1 2 325.250 3.651 20 0 EHADLO C[C@@H]1CC(Nc2[nH+]ccc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000556839622 1123144653 /nfs/dbraw/zinc/14/46/53/1123144653.db2.gz NKHACRHYKRCBTH-GHMZBOCLSA-N 1 2 335.245 3.787 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(F)c3C)cn2c1 ZINC000073392891 1123201015 /nfs/dbraw/zinc/20/10/15/1123201015.db2.gz KIGJXHJWUUUQFF-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921979 1123211111 /nfs/dbraw/zinc/21/11/11/1123211111.db2.gz ZSOZIEDFBZPYLR-VDGAXYAQSA-N 1 2 344.499 3.632 20 0 EHADLO CCc1nc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cs1 ZINC000923870242 1123279295 /nfs/dbraw/zinc/27/92/95/1123279295.db2.gz SZFASXMIBXAPCT-CYBMUJFWSA-N 1 2 331.445 3.511 20 0 EHADLO COc1ccc(CCC(=O)Nc2cc[nH+]c(C)c2)cc1Br ZINC000074290873 1123285832 /nfs/dbraw/zinc/28/58/32/1123285832.db2.gz GYPOCNNXYMRSEC-UHFFFAOYSA-N 1 2 349.228 3.732 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cccc4c[nH]nc43)c2)[nH+]c1C ZINC000920252871 1123343001 /nfs/dbraw/zinc/34/30/01/1123343001.db2.gz ZZXBZTBCCMWFMZ-UHFFFAOYSA-N 1 2 331.379 3.822 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cccc4cn[nH]c43)c2)[nH+]c1C ZINC000920252871 1123343005 /nfs/dbraw/zinc/34/30/05/1123343005.db2.gz ZZXBZTBCCMWFMZ-UHFFFAOYSA-N 1 2 331.379 3.822 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000920769050 1123422367 /nfs/dbraw/zinc/42/23/67/1123422367.db2.gz YJWWLGIVBWFOIG-IBGZPJMESA-N 1 2 339.483 3.536 20 0 EHADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1nccs1 ZINC000075825721 1123428291 /nfs/dbraw/zinc/42/82/91/1123428291.db2.gz ILWAJONWSMPASD-UHFFFAOYSA-N 1 2 334.395 3.514 20 0 EHADLO CC(C)(C)c1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000921150506 1123472458 /nfs/dbraw/zinc/47/24/58/1123472458.db2.gz WVYOQKKFRSVKOT-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO C[C@@H](NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921142580 1123476507 /nfs/dbraw/zinc/47/65/07/1123476507.db2.gz FWXOKBLJVANWCC-OAHLLOKOSA-N 1 2 336.464 3.598 20 0 EHADLO CSCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921146926 1123477275 /nfs/dbraw/zinc/47/72/75/1123477275.db2.gz OBPDUPHWMXQOAO-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1 ZINC000076727155 1123516100 /nfs/dbraw/zinc/51/61/00/1123516100.db2.gz JVVRVGAKDBZXJO-ZDUSSCGKSA-N 1 2 333.407 3.865 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968572 1123554422 /nfs/dbraw/zinc/55/44/22/1123554422.db2.gz LVIGLOWUENURMM-HOTGVXAUSA-N 1 2 334.419 3.609 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968572 1123554424 /nfs/dbraw/zinc/55/44/24/1123554424.db2.gz LVIGLOWUENURMM-HOTGVXAUSA-N 1 2 334.419 3.609 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000543031409 1129131278 /nfs/dbraw/zinc/13/12/78/1129131278.db2.gz DUEQWJKLHUFFIN-TYNCELHUSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000543031409 1129131280 /nfs/dbraw/zinc/13/12/80/1129131280.db2.gz DUEQWJKLHUFFIN-TYNCELHUSA-N 1 2 327.346 3.651 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2s1 ZINC000064440732 1123618232 /nfs/dbraw/zinc/61/82/32/1123618232.db2.gz NFTNDDABNIEHPD-INIZCTEOSA-N 1 2 327.453 3.943 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)o1 ZINC000609634050 1123635008 /nfs/dbraw/zinc/63/50/08/1123635008.db2.gz HDMCUMZEDASDAA-UHFFFAOYSA-N 1 2 345.729 3.611 20 0 EHADLO COc1cccc([C@@H]([NH2+]Cc2ccnn2C)c2ccccc2Cl)c1 ZINC000080204963 1123745584 /nfs/dbraw/zinc/74/55/84/1123745584.db2.gz LYIWRUYFIVYFBX-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000080613228 1123758873 /nfs/dbraw/zinc/75/88/73/1123758873.db2.gz FRZDMPRQXDCAGW-IBGZPJMESA-N 1 2 342.487 3.634 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245423795 1123822671 /nfs/dbraw/zinc/82/26/71/1123822671.db2.gz JRJKHBKJPUBRHI-RUYXUALKSA-N 1 2 341.499 3.583 20 0 EHADLO CCSc1nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c(=S)s1 ZINC000842637830 1123827847 /nfs/dbraw/zinc/82/78/47/1123827847.db2.gz SUOSYIFZYSNKNI-LLVKDONJSA-N 1 2 345.559 3.635 20 0 EHADLO CCSc1nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c(=S)s1 ZINC000842637830 1123827850 /nfs/dbraw/zinc/82/78/50/1123827850.db2.gz SUOSYIFZYSNKNI-LLVKDONJSA-N 1 2 345.559 3.635 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000081806479 1123904781 /nfs/dbraw/zinc/90/47/81/1123904781.db2.gz XEINCTQLOIMZNY-HNNXBMFYSA-N 1 2 337.423 3.772 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646733 1123908333 /nfs/dbraw/zinc/90/83/33/1123908333.db2.gz CHZJBCIFXTVUSZ-IAGOWNOFSA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646733 1123908337 /nfs/dbraw/zinc/90/83/37/1123908337.db2.gz CHZJBCIFXTVUSZ-IAGOWNOFSA-N 1 2 349.356 3.671 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C2(c3ccccc3)CC2)[nH+]1 ZINC000068373412 1123928454 /nfs/dbraw/zinc/92/84/54/1123928454.db2.gz FIUZHUPXTGBYGE-UHFFFAOYSA-N 1 2 339.435 3.614 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCCc1cccc(C)n1)c1ccccc1 ZINC000180111571 1123946943 /nfs/dbraw/zinc/94/69/43/1123946943.db2.gz FRHSPEOOTIEBDM-LJQANCHMSA-N 1 2 326.440 3.559 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCCc1cccc(C)n1)c1ccccc1 ZINC000180111571 1123946947 /nfs/dbraw/zinc/94/69/47/1123946947.db2.gz FRHSPEOOTIEBDM-LJQANCHMSA-N 1 2 326.440 3.559 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)c(C)c2)C12CCC2 ZINC000180426425 1124006200 /nfs/dbraw/zinc/00/62/00/1124006200.db2.gz OWBKPQIEEPWHNO-OALUTQOASA-N 1 2 330.472 3.591 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246177934 1124039885 /nfs/dbraw/zinc/03/98/85/1124039885.db2.gz CZNNWEFNCVNTAZ-ULFGMLNVSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246177934 1124039889 /nfs/dbraw/zinc/03/98/89/1124039889.db2.gz CZNNWEFNCVNTAZ-ULFGMLNVSA-N 1 2 336.838 3.697 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466067184 1129165794 /nfs/dbraw/zinc/16/57/94/1129165794.db2.gz BMAHSUSXRAYHBV-IRXDYDNUSA-N 1 2 330.476 3.542 20 0 EHADLO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353405327 1124099949 /nfs/dbraw/zinc/09/99/49/1124099949.db2.gz RXDGBCSMXJJQNW-LSDHHAIUSA-N 1 2 332.245 3.827 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCCCCn1cc[nH+]c1 ZINC000617350118 1124494527 /nfs/dbraw/zinc/49/45/27/1124494527.db2.gz IHVGJKVDESIUTR-UHFFFAOYSA-N 1 2 333.435 3.689 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000617350060 1124494752 /nfs/dbraw/zinc/49/47/52/1124494752.db2.gz CIEFDKNLLBBTJU-UHFFFAOYSA-N 1 2 335.407 3.886 20 0 EHADLO CC(C)Oc1ccc(F)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212307876 1124594080 /nfs/dbraw/zinc/59/40/80/1124594080.db2.gz AQCZFTFNVQDCOI-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000248400846 1124657316 /nfs/dbraw/zinc/65/73/16/1124657316.db2.gz QWVAESAGOXMUJC-RBUKOAKNSA-N 1 2 342.389 3.783 20 0 EHADLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000248400846 1124657318 /nfs/dbraw/zinc/65/73/18/1124657318.db2.gz QWVAESAGOXMUJC-RBUKOAKNSA-N 1 2 342.389 3.783 20 0 EHADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000735055211 1131304484 /nfs/dbraw/zinc/30/44/84/1131304484.db2.gz SSMKEOVBIYOBMZ-CFYYFVFUSA-N 1 2 336.426 3.648 20 0 EHADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000735055211 1131304490 /nfs/dbraw/zinc/30/44/90/1131304490.db2.gz SSMKEOVBIYOBMZ-CFYYFVFUSA-N 1 2 336.426 3.648 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763495780 1124916797 /nfs/dbraw/zinc/91/67/97/1124916797.db2.gz NEZGMASCAKNRLF-HAAVITCDSA-N 1 2 348.661 3.705 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763495780 1124916802 /nfs/dbraw/zinc/91/68/02/1124916802.db2.gz NEZGMASCAKNRLF-HAAVITCDSA-N 1 2 348.661 3.705 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(CC2CC2)C2CCCCC2)c1C ZINC000069822664 1125067337 /nfs/dbraw/zinc/06/73/37/1125067337.db2.gz IPCVBGSYADAYGQ-UHFFFAOYSA-N 1 2 345.487 3.961 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(Cl)Cl)n2)C1 ZINC000181876498 1125071596 /nfs/dbraw/zinc/07/15/96/1125071596.db2.gz CAKWHLMBCBAUOM-VIFPVBQESA-N 1 2 336.288 3.507 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(Cl)Cl)n2)C1 ZINC000181876498 1125071605 /nfs/dbraw/zinc/07/16/05/1125071605.db2.gz CAKWHLMBCBAUOM-VIFPVBQESA-N 1 2 336.288 3.507 20 0 EHADLO CCc1ccc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)cc1 ZINC000735303480 1131330101 /nfs/dbraw/zinc/33/01/01/1131330101.db2.gz SGDBAHZDNOBWFB-UHFFFAOYSA-N 1 2 328.412 3.507 20 0 EHADLO C[N@H+](Cc1nc2c(s1)CCCC2)CC1=Cc2ccccc2OC1 ZINC000093336052 1125228202 /nfs/dbraw/zinc/22/82/02/1125228202.db2.gz LTGSUQPBAFERFZ-UHFFFAOYSA-N 1 2 326.465 3.930 20 0 EHADLO C[N@@H+](Cc1nc2c(s1)CCCC2)CC1=Cc2ccccc2OC1 ZINC000093336052 1125228207 /nfs/dbraw/zinc/22/82/07/1125228207.db2.gz LTGSUQPBAFERFZ-UHFFFAOYSA-N 1 2 326.465 3.930 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000093478276 1125259517 /nfs/dbraw/zinc/25/95/17/1125259517.db2.gz PIYGCUOCPXJXNK-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000093478276 1125259520 /nfs/dbraw/zinc/25/95/20/1125259520.db2.gz PIYGCUOCPXJXNK-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO C[C@H](c1ccccn1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254973415 1125357167 /nfs/dbraw/zinc/35/71/67/1125357167.db2.gz ZFIHHUPMMZQCRX-JXMNSVBMSA-N 1 2 332.407 3.500 20 0 EHADLO O=C(Cc1cc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000619561583 1125366323 /nfs/dbraw/zinc/36/63/23/1125366323.db2.gz LPYNAWBHRZXQCE-UHFFFAOYSA-N 1 2 335.338 3.939 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000619682244 1125381759 /nfs/dbraw/zinc/38/17/59/1125381759.db2.gz NCEBPIRRBTWQJK-RTBURBONSA-N 1 2 340.471 3.689 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccsc3)cn2c1 ZINC000619774238 1125401937 /nfs/dbraw/zinc/40/19/37/1125401937.db2.gz RFGCPJWUIMJRBM-ZDUSSCGKSA-N 1 2 345.493 3.815 20 0 EHADLO COC[C@H](C)Oc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000657322448 1129260807 /nfs/dbraw/zinc/26/08/07/1129260807.db2.gz YRITWWCCBQRZIR-INIZCTEOSA-N 1 2 341.455 3.708 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000115489329 1129268750 /nfs/dbraw/zinc/26/87/50/1129268750.db2.gz PAVAOMJCYZVSCT-SJORKVTESA-N 1 2 325.456 3.878 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(C)s1 ZINC000067680582 1129297099 /nfs/dbraw/zinc/29/70/99/1129297099.db2.gz IYTSRXQVZQWJRW-UHFFFAOYSA-N 1 2 341.436 3.893 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000115858993 1129304415 /nfs/dbraw/zinc/30/44/15/1129304415.db2.gz KGFWCLJHXQFBKK-KRWDZBQOSA-N 1 2 340.471 3.951 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466220351 1129312039 /nfs/dbraw/zinc/31/20/39/1129312039.db2.gz RGXWIMLOVKAZCJ-GOSISDBHSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000543181898 1129316114 /nfs/dbraw/zinc/31/61/14/1129316114.db2.gz PPXWKFAVOSWDPW-LBPRGKRZSA-N 1 2 339.277 3.756 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000543181898 1129316118 /nfs/dbraw/zinc/31/61/18/1129316118.db2.gz PPXWKFAVOSWDPW-LBPRGKRZSA-N 1 2 339.277 3.756 20 0 EHADLO Cc1cc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nc(C(C)C)[nH+]1 ZINC000499684570 1129338526 /nfs/dbraw/zinc/33/85/26/1129338526.db2.gz NTIORXYESNYBOF-LJQANCHMSA-N 1 2 345.874 3.746 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)Nc1ccc(F)c(Cl)c1 ZINC000347718363 1129513887 /nfs/dbraw/zinc/51/38/87/1129513887.db2.gz KPNJDYKHFMNJDX-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccc(F)c(Cl)c1 ZINC000347718363 1129513890 /nfs/dbraw/zinc/51/38/90/1129513890.db2.gz KPNJDYKHFMNJDX-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1cccc(OC(F)(F)F)c1 ZINC000347719487 1129521467 /nfs/dbraw/zinc/52/14/67/1129521467.db2.gz LSWDPZPFCISUKS-UHFFFAOYSA-N 1 2 335.276 3.809 20 0 EHADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1cccc(OC(F)(F)F)c1 ZINC000347719487 1129521470 /nfs/dbraw/zinc/52/14/70/1129521470.db2.gz LSWDPZPFCISUKS-UHFFFAOYSA-N 1 2 335.276 3.809 20 0 EHADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc[nH+]c1N ZINC000922471637 1129544630 /nfs/dbraw/zinc/54/46/30/1129544630.db2.gz HWYGSESWFTYSLB-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265867342 1129547934 /nfs/dbraw/zinc/54/79/34/1129547934.db2.gz ISCIZWXFJWFPTG-RWMBFGLXSA-N 1 2 347.821 3.712 20 0 EHADLO FC(F)COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521831 1129561403 /nfs/dbraw/zinc/56/14/03/1129561403.db2.gz YTUDDMWKHXCNOO-MAUKXSAKSA-N 1 2 337.341 3.892 20 0 EHADLO O=C(c1csc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624934349 1129599124 /nfs/dbraw/zinc/59/91/24/1129599124.db2.gz KBDDAAMENKISHF-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C(C)(C)C ZINC000922701115 1129632273 /nfs/dbraw/zinc/63/22/73/1129632273.db2.gz WIUZWRUCXFBKIW-MRXNPFEDSA-N 1 2 332.492 3.882 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428959866 1129639702 /nfs/dbraw/zinc/63/97/02/1129639702.db2.gz ZGVBBNNIKQTWOW-INIZCTEOSA-N 1 2 340.471 3.739 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000922775773 1129657681 /nfs/dbraw/zinc/65/76/81/1129657681.db2.gz LMWWYXWIQNJSQM-JSGCOSHPSA-N 1 2 334.778 3.693 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)o2)CC2CCC2)c(OC)c1 ZINC000282371807 1129663869 /nfs/dbraw/zinc/66/38/69/1129663869.db2.gz CDTFXSVBQSEDNW-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)o2)CC2CCC2)c(OC)c1 ZINC000282371807 1129663873 /nfs/dbraw/zinc/66/38/73/1129663873.db2.gz CDTFXSVBQSEDNW-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1oc(C(C)C)nc1C ZINC000428994484 1129680556 /nfs/dbraw/zinc/68/05/56/1129680556.db2.gz PJRUIBVFKZMHTB-UHFFFAOYSA-N 1 2 349.500 3.615 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1oc(C(C)C)nc1C ZINC000428994484 1129680558 /nfs/dbraw/zinc/68/05/58/1129680558.db2.gz PJRUIBVFKZMHTB-UHFFFAOYSA-N 1 2 349.500 3.615 20 0 EHADLO C[C@@H]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001784 1129684602 /nfs/dbraw/zinc/68/46/02/1129684602.db2.gz WYCJLKCSZAFGMH-ZBFHGGJFSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@@H]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001784 1129684604 /nfs/dbraw/zinc/68/46/04/1129684604.db2.gz WYCJLKCSZAFGMH-ZBFHGGJFSA-N 1 2 349.906 3.528 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)CCOc3ccccc3C)n2)c1 ZINC000509059204 1129708368 /nfs/dbraw/zinc/70/83/68/1129708368.db2.gz ZEULUBDWDIBHME-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)CCOc3ccccc3C)n2)c1 ZINC000509059204 1129708371 /nfs/dbraw/zinc/70/83/71/1129708371.db2.gz ZEULUBDWDIBHME-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO CCc1nc(C(C)C)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000338892859 1129718592 /nfs/dbraw/zinc/71/85/92/1129718592.db2.gz VANLSJHCZZQAFG-UHFFFAOYSA-N 1 2 327.472 3.678 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000338892859 1129718595 /nfs/dbraw/zinc/71/85/95/1129718595.db2.gz VANLSJHCZZQAFG-UHFFFAOYSA-N 1 2 327.472 3.678 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncc(CN(C)C)s2)C2CCC2)cc1 ZINC000922890225 1129748431 /nfs/dbraw/zinc/74/84/31/1129748431.db2.gz YRZKCXCXTVKSRX-LJQANCHMSA-N 1 2 345.512 3.844 20 0 EHADLO CCc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000347781059 1129767865 /nfs/dbraw/zinc/76/78/65/1129767865.db2.gz LYQODLXKILGJOP-OAHLLOKOSA-N 1 2 345.437 3.801 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282422737 1129777222 /nfs/dbraw/zinc/77/72/22/1129777222.db2.gz RHCGWTITYPTKDS-DLBZAZTESA-N 1 2 346.377 3.610 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282422737 1129777224 /nfs/dbraw/zinc/77/72/24/1129777224.db2.gz RHCGWTITYPTKDS-DLBZAZTESA-N 1 2 346.377 3.610 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625266220 1129790389 /nfs/dbraw/zinc/79/03/89/1129790389.db2.gz YWTTUUWJARFBOF-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625266220 1129790392 /nfs/dbraw/zinc/79/03/92/1129790392.db2.gz YWTTUUWJARFBOF-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3csc4ccccc34)[nH+]c12 ZINC000673723510 1129810640 /nfs/dbraw/zinc/81/06/40/1129810640.db2.gz XNMGJNQUNYWJTP-UHFFFAOYSA-N 1 2 335.432 3.830 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000073895679 1129812702 /nfs/dbraw/zinc/81/27/02/1129812702.db2.gz FHNGYXAUHKVDIH-OAHLLOKOSA-N 1 2 346.500 3.545 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741591 1129823635 /nfs/dbraw/zinc/82/36/35/1129823635.db2.gz ZUGFQQHVDITMJT-HNNXBMFYSA-N 1 2 349.883 3.934 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741591 1129823637 /nfs/dbraw/zinc/82/36/37/1129823637.db2.gz ZUGFQQHVDITMJT-HNNXBMFYSA-N 1 2 349.883 3.934 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673762250 1129836298 /nfs/dbraw/zinc/83/62/98/1129836298.db2.gz MWYHKOZEUMVQAW-WBVHZDCISA-N 1 2 334.423 3.819 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(CC(C)C)CC(C)C)[nH+]c12 ZINC000673777625 1129845184 /nfs/dbraw/zinc/84/51/84/1129845184.db2.gz SMBNVGLDBVZEOU-UHFFFAOYSA-N 1 2 330.476 3.509 20 0 EHADLO FC1(F)CN([C@@H]2Cc3cccc(Cl)c3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001168742068 1129845921 /nfs/dbraw/zinc/84/59/21/1129845921.db2.gz CAFDHGBLVCRQEO-PBHICJAKSA-N 1 2 340.845 3.613 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC(C)(C(C)C)CC3)n2c(C)c1C ZINC000186888616 1129889774 /nfs/dbraw/zinc/88/97/74/1129889774.db2.gz HBQADDUVNIAILV-UHFFFAOYSA-N 1 2 347.532 3.901 20 0 EHADLO CC(C)([NH2+]Cc1nc(CCc2ccccc2)no1)c1cccs1 ZINC000543496260 1129890310 /nfs/dbraw/zinc/89/03/10/1129890310.db2.gz QKAMAQNWDNDOCA-UHFFFAOYSA-N 1 2 327.453 3.941 20 0 EHADLO C/C=C(C)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001273112951 1129905637 /nfs/dbraw/zinc/90/56/37/1129905637.db2.gz YWDLWMJXCMCYTR-JOVQXJIRSA-N 1 2 348.531 3.637 20 0 EHADLO C/C=C(C)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001273112951 1129905640 /nfs/dbraw/zinc/90/56/40/1129905640.db2.gz YWDLWMJXCMCYTR-JOVQXJIRSA-N 1 2 348.531 3.637 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673980771 1129932257 /nfs/dbraw/zinc/93/22/57/1129932257.db2.gz WLSXCQFHOBUODT-SJLPKXTDSA-N 1 2 342.487 3.782 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466570946 1129934433 /nfs/dbraw/zinc/93/44/33/1129934433.db2.gz YYBHKKZUZDQUHD-MJGOQNOKSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009450 1129956897 /nfs/dbraw/zinc/95/68/97/1129956897.db2.gz IJXGZPZUEKMWDF-IBGZPJMESA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009450 1129956900 /nfs/dbraw/zinc/95/69/00/1129956900.db2.gz IJXGZPZUEKMWDF-IBGZPJMESA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009234 1129956961 /nfs/dbraw/zinc/95/69/61/1129956961.db2.gz HQBPWGQNNDFBRA-UZLBHIALSA-N 1 2 340.442 3.928 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009234 1129956967 /nfs/dbraw/zinc/95/69/67/1129956967.db2.gz HQBPWGQNNDFBRA-UZLBHIALSA-N 1 2 340.442 3.928 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625656932 1129970710 /nfs/dbraw/zinc/97/07/10/1129970710.db2.gz RRCFRBRKFUOBRJ-HNNXBMFYSA-N 1 2 334.414 3.592 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625656932 1129970713 /nfs/dbraw/zinc/97/07/13/1129970713.db2.gz RRCFRBRKFUOBRJ-HNNXBMFYSA-N 1 2 334.414 3.592 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221915 1130011316 /nfs/dbraw/zinc/01/13/16/1130011316.db2.gz SZPIXQKZPOEAFD-YOEHRIQHSA-N 1 2 349.906 3.609 20 0 EHADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1Oc1ccncc1 ZINC001128632967 1130018199 /nfs/dbraw/zinc/01/81/99/1130018199.db2.gz HBUBYRQJGPATHU-HNNXBMFYSA-N 1 2 336.395 3.969 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nnnn2C2CC2)c2ccccc2)c(C)c1 ZINC000674649585 1130157964 /nfs/dbraw/zinc/15/79/64/1130157964.db2.gz DAKOOLMLHYOQJI-FQEVSTJZSA-N 1 2 333.439 3.504 20 0 EHADLO C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc2ccccc2c1 ZINC000674667509 1130169751 /nfs/dbraw/zinc/16/97/51/1130169751.db2.gz HSCXWAHMWIBFJV-HNNXBMFYSA-N 1 2 332.403 3.628 20 0 EHADLO Cc1ccccc1CC1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000674736469 1130186130 /nfs/dbraw/zinc/18/61/30/1130186130.db2.gz FDRBBFYIWTYVMF-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO CN(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CCC(C)(C)CC1 ZINC000674866419 1130211323 /nfs/dbraw/zinc/21/13/23/1130211323.db2.gz VFLYCAVNVWHHSO-UHFFFAOYSA-N 1 2 329.488 3.612 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC23CCCCC3)c(C)[nH+]1 ZINC000658172952 1130229981 /nfs/dbraw/zinc/22/99/81/1130229981.db2.gz GBYUNFYBLPLZQS-INIZCTEOSA-N 1 2 343.471 3.565 20 0 EHADLO CC1(C)CC(C[NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC(C)(C)C1 ZINC000658174700 1130231585 /nfs/dbraw/zinc/23/15/85/1130231585.db2.gz ZMNJEFMUULKRDE-INIZCTEOSA-N 1 2 327.476 3.731 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456732 1130234902 /nfs/dbraw/zinc/23/49/02/1130234902.db2.gz NNWKXSQZRPQRMD-HOTGVXAUSA-N 1 2 326.444 3.765 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000675138528 1130262396 /nfs/dbraw/zinc/26/23/96/1130262396.db2.gz WXWZBYVHIOPIAK-FQEVSTJZSA-N 1 2 346.434 3.731 20 0 EHADLO Cc1cccc(C2(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CCC2)c1 ZINC000675258004 1130298805 /nfs/dbraw/zinc/29/88/05/1130298805.db2.gz PBYCXQVKUGPXMP-HKUYNNGSSA-N 1 2 337.467 3.723 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675257548 1130298821 /nfs/dbraw/zinc/29/88/21/1130298821.db2.gz NCJWVUWDDOJDOC-LRDDRELGSA-N 1 2 341.386 3.800 20 0 EHADLO Cc1ccnc(N2CC[NH+]([C@H](C)c3nc4ccccc4s3)CC2)c1 ZINC000675282683 1130302815 /nfs/dbraw/zinc/30/28/15/1130302815.db2.gz IDWUOEMEOWVBNU-OAHLLOKOSA-N 1 2 338.480 3.883 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cccc(C(C)C)n1)c1ccccc1 ZINC000766102497 1130305466 /nfs/dbraw/zinc/30/54/66/1130305466.db2.gz DMJREWLGBDYPGR-IBGZPJMESA-N 1 2 326.440 3.941 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc(C(C)C)n1)c1ccccc1 ZINC000766102497 1130305473 /nfs/dbraw/zinc/30/54/73/1130305473.db2.gz DMJREWLGBDYPGR-IBGZPJMESA-N 1 2 326.440 3.941 20 0 EHADLO FC(F)(F)c1ccc(-c2noc(Cn3cc[nH+]c3)n2)c(Cl)c1 ZINC001212536423 1130322327 /nfs/dbraw/zinc/32/23/27/1130322327.db2.gz FUXWBBFWOINCCB-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675386669 1130346667 /nfs/dbraw/zinc/34/66/67/1130346667.db2.gz JBOUWKBJUHMWPO-OAHLLOKOSA-N 1 2 346.406 3.680 20 0 EHADLO Cc1cccn2cc(CCNc3nc(C(F)(F)F)cs3)[nH+]c12 ZINC000675511008 1130419378 /nfs/dbraw/zinc/41/93/78/1130419378.db2.gz QNKSLJPPAOLXOK-UHFFFAOYSA-N 1 2 326.347 3.773 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675783653 1130478894 /nfs/dbraw/zinc/47/88/94/1130478894.db2.gz OOOAVUYYYZHABI-SFHVURJKSA-N 1 2 325.456 3.587 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(CC(F)(F)F)CC1 ZINC000671512268 1130526676 /nfs/dbraw/zinc/52/66/76/1130526676.db2.gz YOJUIWLNLOAWNJ-UHFFFAOYSA-N 1 2 326.322 3.531 20 0 EHADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H](C)c1cc2ccccc2o1 ZINC000131462034 1130533809 /nfs/dbraw/zinc/53/38/09/1130533809.db2.gz PFBWIWDWQWNQSU-GDBMZVCRSA-N 1 2 337.423 3.801 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c(=O)sc3c2CC[C@H](C)C3)Cc2ccccc21 ZINC000728041795 1130619796 /nfs/dbraw/zinc/61/97/96/1130619796.db2.gz QFLOEGSUTKBQNL-KBPBESRZSA-N 1 2 328.481 3.611 20 0 EHADLO C[C@H]1C[N@H+](Cn2c(=O)sc3c2CC[C@H](C)C3)Cc2ccccc21 ZINC000728041795 1130619799 /nfs/dbraw/zinc/61/97/99/1130619799.db2.gz QFLOEGSUTKBQNL-KBPBESRZSA-N 1 2 328.481 3.611 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccccc2)C1 ZINC000728039458 1130619959 /nfs/dbraw/zinc/61/99/59/1130619959.db2.gz KURDPTJHXVVKBK-OAHLLOKOSA-N 1 2 330.497 3.904 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccccc2)C1 ZINC000728039458 1130619964 /nfs/dbraw/zinc/61/99/64/1130619964.db2.gz KURDPTJHXVVKBK-OAHLLOKOSA-N 1 2 330.497 3.904 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000728043460 1130620937 /nfs/dbraw/zinc/62/09/37/1130620937.db2.gz GBTHFDPXSWLWSE-GOEBONIOSA-N 1 2 328.481 3.829 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000728043460 1130620940 /nfs/dbraw/zinc/62/09/40/1130620940.db2.gz GBTHFDPXSWLWSE-GOEBONIOSA-N 1 2 328.481 3.829 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728042965 1130621364 /nfs/dbraw/zinc/62/13/64/1130621364.db2.gz LMLVRYQTZVPBCZ-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728042965 1130621367 /nfs/dbraw/zinc/62/13/67/1130621367.db2.gz LMLVRYQTZVPBCZ-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO COc1ccccc1C/C(C)=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000730178815 1130684307 /nfs/dbraw/zinc/68/43/07/1130684307.db2.gz OBMRUTZAQIAULH-SDNWHVSQSA-N 1 2 335.407 3.779 20 0 EHADLO CCCC[N@H+](C)c1ccc(NC=C2c3ccccc3C(=O)NC2=O)cc1 ZINC000730512663 1130716545 /nfs/dbraw/zinc/71/65/45/1130716545.db2.gz JMQYCBAKQWHNMN-RGEXLXHISA-N 1 2 349.434 3.646 20 0 EHADLO CCCC[N@@H+](C)c1ccc(NC=C2c3ccccc3C(=O)NC2=O)cc1 ZINC000730512663 1130716548 /nfs/dbraw/zinc/71/65/48/1130716548.db2.gz JMQYCBAKQWHNMN-RGEXLXHISA-N 1 2 349.434 3.646 20 0 EHADLO Cc1cc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC000730586024 1130721865 /nfs/dbraw/zinc/72/18/65/1130721865.db2.gz YMVFQGUNMXQFNC-UHFFFAOYSA-N 1 2 345.374 3.550 20 0 EHADLO COC[C@H]([NH2+]Cc1cnc(Br)c(C)c1)c1ccc(C)o1 ZINC001119728228 1130803534 /nfs/dbraw/zinc/80/35/34/1130803534.db2.gz DACOONQUTZTAIO-ZDUSSCGKSA-N 1 2 339.233 3.531 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ccc(-c3cccs3)n2)cc(OC)c1 ZINC000731658408 1130824536 /nfs/dbraw/zinc/82/45/36/1130824536.db2.gz DHUARHWBIDIEPH-UHFFFAOYSA-N 1 2 343.452 3.718 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ccc(-c3cccs3)n2)cc(OC)c1 ZINC000731658408 1130824540 /nfs/dbraw/zinc/82/45/40/1130824540.db2.gz DHUARHWBIDIEPH-UHFFFAOYSA-N 1 2 343.452 3.718 20 0 EHADLO Cc1ccc(C[N@H+](C)Cn2nc(C)c(Br)c2C)s1 ZINC000731660309 1130824691 /nfs/dbraw/zinc/82/46/91/1130824691.db2.gz HUXVMHJCOBZWDC-UHFFFAOYSA-N 1 2 328.279 3.722 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cn2nc(C)c(Br)c2C)s1 ZINC000731660309 1130824695 /nfs/dbraw/zinc/82/46/95/1130824695.db2.gz HUXVMHJCOBZWDC-UHFFFAOYSA-N 1 2 328.279 3.722 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2ccccc2F)C1 ZINC000731662073 1130826653 /nfs/dbraw/zinc/82/66/53/1130826653.db2.gz JMUCFYAUJMVIOT-AWEZNQCLSA-N 1 2 348.487 3.696 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2ccccc2F)C1 ZINC000731662073 1130826658 /nfs/dbraw/zinc/82/66/58/1130826658.db2.gz JMUCFYAUJMVIOT-AWEZNQCLSA-N 1 2 348.487 3.696 20 0 EHADLO CCCCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000731804133 1130844584 /nfs/dbraw/zinc/84/45/84/1130844584.db2.gz LRTNLJNCKVDERV-UHFFFAOYSA-N 1 2 329.444 3.692 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnc(C)cn2)c2ccc(F)cc2)cc1 ZINC000732203856 1130900161 /nfs/dbraw/zinc/90/01/61/1130900161.db2.gz JZTZDKMDCVLBOH-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000732429669 1130925877 /nfs/dbraw/zinc/92/58/77/1130925877.db2.gz UNDZCFJFBISRIO-AWEZNQCLSA-N 1 2 342.447 3.523 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989688 1130980216 /nfs/dbraw/zinc/98/02/16/1130980216.db2.gz SRADDHFNSMFJCB-BVGQSLNGSA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989688 1130980219 /nfs/dbraw/zinc/98/02/19/1130980219.db2.gz SRADDHFNSMFJCB-BVGQSLNGSA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000348041817 1131135151 /nfs/dbraw/zinc/13/51/51/1131135151.db2.gz INVFRSMQEUJPHZ-NSHDSACASA-N 1 2 329.350 3.544 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000348041817 1131135156 /nfs/dbraw/zinc/13/51/56/1131135156.db2.gz INVFRSMQEUJPHZ-NSHDSACASA-N 1 2 329.350 3.544 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000176971352 1131158628 /nfs/dbraw/zinc/15/86/28/1131158628.db2.gz NFPFKHMVXYVBIF-GOSISDBHSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000176971352 1131158630 /nfs/dbraw/zinc/15/86/30/1131158630.db2.gz NFPFKHMVXYVBIF-GOSISDBHSA-N 1 2 325.437 3.573 20 0 EHADLO COc1ccc(CC[C@H](C)[NH2+]c2ccc(N3CCOCC3)cc2)cc1 ZINC000378957541 1131168459 /nfs/dbraw/zinc/16/84/59/1131168459.db2.gz NLKKOHOWUROFTL-KRWDZBQOSA-N 1 2 340.467 3.965 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nnc(C3CCCC3)o2)c(C)[nH+]1 ZINC000177811222 1131203402 /nfs/dbraw/zinc/20/34/02/1131203402.db2.gz CKGVXCKENXZJAU-UHFFFAOYSA-N 1 2 328.416 3.619 20 0 EHADLO C/C(=C\c1ccccc1)CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000178867540 1131441020 /nfs/dbraw/zinc/44/10/20/1131441020.db2.gz LLDVFFRBSQVWRM-GHRIWEEISA-N 1 2 337.467 3.806 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](C)CC(C)(C)C)c(=S)o2)cc1 ZINC000738097942 1131461127 /nfs/dbraw/zinc/46/11/27/1131461127.db2.gz HFHPKVNMLSYGGZ-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](C)CC(C)(C)C)c(=S)o2)cc1 ZINC000738097942 1131461129 /nfs/dbraw/zinc/46/11/29/1131461129.db2.gz HFHPKVNMLSYGGZ-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO CC[N@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1CCC1 ZINC000738054437 1131461877 /nfs/dbraw/zinc/46/18/77/1131461877.db2.gz KGCBYKKVOCLGPJ-UHFFFAOYSA-N 1 2 329.473 3.643 20 0 EHADLO CC[N@@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1CCC1 ZINC000738054437 1131461879 /nfs/dbraw/zinc/46/18/79/1131461879.db2.gz KGCBYKKVOCLGPJ-UHFFFAOYSA-N 1 2 329.473 3.643 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)CC1 ZINC000738239603 1131465601 /nfs/dbraw/zinc/46/56/01/1131465601.db2.gz MHUOGDIPULYFFU-AWEZNQCLSA-N 1 2 332.473 3.983 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)CC1 ZINC000738239603 1131465603 /nfs/dbraw/zinc/46/56/03/1131465603.db2.gz MHUOGDIPULYFFU-AWEZNQCLSA-N 1 2 332.473 3.983 20 0 EHADLO O=c1sc2c(n1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)CCCC2 ZINC000738246755 1131466798 /nfs/dbraw/zinc/46/67/98/1131466798.db2.gz VNCPKDCPDHAYJL-QGZVFWFLSA-N 1 2 346.521 3.536 20 0 EHADLO O=c1sc2c(n1C[N@H+]1CCS[C@@H](c3ccccc3)C1)CCCC2 ZINC000738246755 1131466801 /nfs/dbraw/zinc/46/68/01/1131466801.db2.gz VNCPKDCPDHAYJL-QGZVFWFLSA-N 1 2 346.521 3.536 20 0 EHADLO CC(C)c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738391215 1131468408 /nfs/dbraw/zinc/46/84/08/1131468408.db2.gz HRABOLMUCQSDGV-UHFFFAOYSA-N 1 2 342.420 3.763 20 0 EHADLO CCOc1ccc(N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000739622212 1131510360 /nfs/dbraw/zinc/51/03/60/1131510360.db2.gz OFKMJOUXZIWBKI-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO COC[C@H]1CC[N@H+](Cn2nc(-c3c(C)cc(C)cc3C)oc2=S)C1 ZINC000739869338 1131511806 /nfs/dbraw/zinc/51/18/06/1131511806.db2.gz HEPYFCNIGRXGLF-HNNXBMFYSA-N 1 2 347.484 3.724 20 0 EHADLO COC[C@H]1CC[N@@H+](Cn2nc(-c3c(C)cc(C)cc3C)oc2=S)C1 ZINC000739869338 1131511808 /nfs/dbraw/zinc/51/18/08/1131511808.db2.gz HEPYFCNIGRXGLF-HNNXBMFYSA-N 1 2 347.484 3.724 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860517 1131549247 /nfs/dbraw/zinc/54/92/47/1131549247.db2.gz QCDJRSCKADTMGS-NEPJUHHUSA-N 1 2 349.456 3.578 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860517 1131549249 /nfs/dbraw/zinc/54/92/49/1131549249.db2.gz QCDJRSCKADTMGS-NEPJUHHUSA-N 1 2 349.456 3.578 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=S)o1 ZINC000740861186 1131550192 /nfs/dbraw/zinc/55/01/92/1131550192.db2.gz LTGHRDDVGSPXJK-STQMWFEESA-N 1 2 333.457 3.959 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=S)o1 ZINC000740861186 1131550195 /nfs/dbraw/zinc/55/01/95/1131550195.db2.gz LTGHRDDVGSPXJK-STQMWFEESA-N 1 2 333.457 3.959 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCCN(C)c3ccc(F)cc32)c1C ZINC000740887356 1131553981 /nfs/dbraw/zinc/55/39/81/1131553981.db2.gz UGMCORNLASCHMW-UHFFFAOYSA-N 1 2 329.419 3.693 20 0 EHADLO C[C@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000740986337 1131563747 /nfs/dbraw/zinc/56/37/47/1131563747.db2.gz FUPBCAJFSVUWRK-MBOZVWFJSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000740986337 1131563749 /nfs/dbraw/zinc/56/37/49/1131563749.db2.gz FUPBCAJFSVUWRK-MBOZVWFJSA-N 1 2 345.483 3.572 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)cc2Cl)CC[C@H]1O ZINC000336787305 1131576503 /nfs/dbraw/zinc/57/65/03/1131576503.db2.gz LEFSEPVWPZDYKQ-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2Cl)CC[C@H]1O ZINC000336787305 1131576506 /nfs/dbraw/zinc/57/65/06/1131576506.db2.gz LEFSEPVWPZDYKQ-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149093 1131583774 /nfs/dbraw/zinc/58/37/74/1131583774.db2.gz NIPIWAQWUAGYNL-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149093 1131583778 /nfs/dbraw/zinc/58/37/78/1131583778.db2.gz NIPIWAQWUAGYNL-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000741274150 1131589754 /nfs/dbraw/zinc/58/97/54/1131589754.db2.gz WAQXJDFUAMYJIB-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO CC(C)c1cnc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000741352943 1131597968 /nfs/dbraw/zinc/59/79/68/1131597968.db2.gz NQNMYSDQUICLMR-KRWDZBQOSA-N 1 2 342.439 3.896 20 0 EHADLO CC(C)c1cnc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000741352943 1131597973 /nfs/dbraw/zinc/59/79/73/1131597973.db2.gz NQNMYSDQUICLMR-KRWDZBQOSA-N 1 2 342.439 3.896 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000741778971 1131645940 /nfs/dbraw/zinc/64/59/40/1131645940.db2.gz HHVWDMNSQMRRTN-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000741778971 1131645942 /nfs/dbraw/zinc/64/59/42/1131645942.db2.gz HHVWDMNSQMRRTN-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO CCCCCC[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000741914602 1131667184 /nfs/dbraw/zinc/66/71/84/1131667184.db2.gz SYFVEOSDGRSFGR-GOSISDBHSA-N 1 2 345.531 3.979 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000742014765 1131679483 /nfs/dbraw/zinc/67/94/83/1131679483.db2.gz SLEYQEPWXYLHGX-XVJNWHFHSA-N 1 2 344.842 3.852 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742164687 1131691770 /nfs/dbraw/zinc/69/17/70/1131691770.db2.gz BGDJUGBBKMUTMZ-CWRNSKLLSA-N 1 2 328.485 3.569 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742164687 1131691774 /nfs/dbraw/zinc/69/17/74/1131691774.db2.gz BGDJUGBBKMUTMZ-CWRNSKLLSA-N 1 2 328.485 3.569 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc3ccccn3c2=S)CC[C@H]1c1ccccc1 ZINC000742166968 1131692000 /nfs/dbraw/zinc/69/20/00/1131692000.db2.gz RPWIQQMMRQAEIT-DOTOQJQBSA-N 1 2 338.480 3.948 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc3ccccn3c2=S)CC[C@H]1c1ccccc1 ZINC000742166968 1131692002 /nfs/dbraw/zinc/69/20/02/1131692002.db2.gz RPWIQQMMRQAEIT-DOTOQJQBSA-N 1 2 338.480 3.948 20 0 EHADLO CC(C)c1ccsc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742239119 1131699354 /nfs/dbraw/zinc/69/93/54/1131699354.db2.gz PEIIXVDETLPJOB-UHFFFAOYSA-N 1 2 330.444 3.673 20 0 EHADLO CC(C)c1ccsc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742239119 1131699356 /nfs/dbraw/zinc/69/93/56/1131699356.db2.gz PEIIXVDETLPJOB-UHFFFAOYSA-N 1 2 330.444 3.673 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000742238820 1131699875 /nfs/dbraw/zinc/69/98/75/1131699875.db2.gz KVGXLEYUUXBZTL-CYBMUJFWSA-N 1 2 342.405 3.507 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000742238820 1131699880 /nfs/dbraw/zinc/69/98/80/1131699880.db2.gz KVGXLEYUUXBZTL-CYBMUJFWSA-N 1 2 342.405 3.507 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000742354672 1131708769 /nfs/dbraw/zinc/70/87/69/1131708769.db2.gz VJVHAUONJPSHOO-UHFFFAOYSA-N 1 2 338.329 3.869 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000742348355 1131711777 /nfs/dbraw/zinc/71/17/77/1131711777.db2.gz CFRJTZCJLFINNB-UHFFFAOYSA-N 1 2 338.329 3.983 20 0 EHADLO CC(C)COCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172469224 1131732960 /nfs/dbraw/zinc/73/29/60/1131732960.db2.gz AGEXXQLJWVYCTL-SJORKVTESA-N 1 2 349.519 3.638 20 0 EHADLO CC(C)COCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172469224 1131732966 /nfs/dbraw/zinc/73/29/66/1131732966.db2.gz AGEXXQLJWVYCTL-SJORKVTESA-N 1 2 349.519 3.638 20 0 EHADLO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000742598679 1131758267 /nfs/dbraw/zinc/75/82/67/1131758267.db2.gz FXJVBYUNSLWDQS-SKDZVZGDSA-N 1 2 348.487 3.697 20 0 EHADLO Cc1nc2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2s1 ZINC001212668334 1131765808 /nfs/dbraw/zinc/76/58/08/1131765808.db2.gz UDOXKQUNINTSCF-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4ccccn4)cc3)cc2)C1 ZINC001212669234 1131770148 /nfs/dbraw/zinc/77/01/48/1131770148.db2.gz NPMYZCFSWRDMGZ-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO OCCc1ccc2c(c1)O[C@@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)C1)O2 ZINC001172546982 1131784135 /nfs/dbraw/zinc/78/41/35/1131784135.db2.gz TZAVNPRGGXOUCW-OPYAIIAOSA-N 1 2 339.435 3.592 20 0 EHADLO CC1CCC(=CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000742857230 1131807373 /nfs/dbraw/zinc/80/73/73/1131807373.db2.gz DGENEIKQIVIOGU-LRTDYKAYSA-N 1 2 337.467 3.957 20 0 EHADLO C/C(=C/C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000742858059 1131807796 /nfs/dbraw/zinc/80/77/96/1131807796.db2.gz JHRVTUUGUZPCBL-AKMXKPQHSA-N 1 2 325.456 3.813 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372441 1131903818 /nfs/dbraw/zinc/90/38/18/1131903818.db2.gz GKTLBIKWOKNXDT-CXAGYDPISA-N 1 2 346.471 3.968 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372441 1131903823 /nfs/dbraw/zinc/90/38/23/1131903823.db2.gz GKTLBIKWOKNXDT-CXAGYDPISA-N 1 2 346.471 3.968 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372442 1131904759 /nfs/dbraw/zinc/90/47/59/1131904759.db2.gz GKTLBIKWOKNXDT-DYVFJYSZSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372442 1131904763 /nfs/dbraw/zinc/90/47/63/1131904763.db2.gz GKTLBIKWOKNXDT-DYVFJYSZSA-N 1 2 346.471 3.968 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(Cc2cccnc2)n1 ZINC001212693123 1131907051 /nfs/dbraw/zinc/90/70/51/1131907051.db2.gz DMSAOPKSKWEZKZ-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO Cc1ccc(CC[N@@H+](Cc2ccco2)CN2CCSC2=O)cc1 ZINC000743385300 1131907300 /nfs/dbraw/zinc/90/73/00/1131907300.db2.gz KZMDXBPVIBXSRS-UHFFFAOYSA-N 1 2 330.453 3.759 20 0 EHADLO Cc1ccc(CC[N@H+](Cc2ccco2)CN2CCSC2=O)cc1 ZINC000743385300 1131907305 /nfs/dbraw/zinc/90/73/05/1131907305.db2.gz KZMDXBPVIBXSRS-UHFFFAOYSA-N 1 2 330.453 3.759 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+]3C[C@@H](C)S[C@@H](C)C3)c2=S)c1 ZINC000743377135 1131913234 /nfs/dbraw/zinc/91/32/34/1131913234.db2.gz NCYFKAMSBFKEPG-OKILXGFUSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)c2=S)c1 ZINC000743377135 1131913240 /nfs/dbraw/zinc/91/32/40/1131913240.db2.gz NCYFKAMSBFKEPG-OKILXGFUSA-N 1 2 349.525 3.800 20 0 EHADLO CCOc1nn(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c(=S)s1 ZINC000743401404 1131913689 /nfs/dbraw/zinc/91/36/89/1131913689.db2.gz ZDWQRZZDBNLFEY-MNOVXSKESA-N 1 2 333.548 3.636 20 0 EHADLO CCOc1nn(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c(=S)s1 ZINC000743401404 1131913694 /nfs/dbraw/zinc/91/36/94/1131913694.db2.gz ZDWQRZZDBNLFEY-MNOVXSKESA-N 1 2 333.548 3.636 20 0 EHADLO Brc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001212692162 1131916590 /nfs/dbraw/zinc/91/65/90/1131916590.db2.gz DSHRDSMJABZRKP-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO COC(=O)c1c(C)csc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693999 1131922103 /nfs/dbraw/zinc/92/21/03/1131922103.db2.gz DPAPCMVCXFJOFM-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO Nc1cc(Cl)c(Cl)nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695043 1131924620 /nfs/dbraw/zinc/92/46/20/1131924620.db2.gz KKTGMNUVLQXYOR-UHFFFAOYSA-N 1 2 334.210 3.959 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000743564925 1131942457 /nfs/dbraw/zinc/94/24/57/1131942457.db2.gz MHNBJPBKQQYISS-HOTGVXAUSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2c(F)cccc2F)[C@H](C)CO1 ZINC000743852878 1131986098 /nfs/dbraw/zinc/98/60/98/1131986098.db2.gz VYIYZEOYPPRRIF-ZMYBRWDISA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2c(F)cccc2F)[C@H](C)CO1 ZINC000743852878 1131986106 /nfs/dbraw/zinc/98/61/06/1131986106.db2.gz VYIYZEOYPPRRIF-ZMYBRWDISA-N 1 2 347.405 3.769 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000743873151 1131997057 /nfs/dbraw/zinc/99/70/57/1131997057.db2.gz LJKOIINEHVFBQE-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000743873151 1131997064 /nfs/dbraw/zinc/99/70/64/1131997064.db2.gz LJKOIINEHVFBQE-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO CC[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)C1 ZINC001173263082 1132023976 /nfs/dbraw/zinc/02/39/76/1132023976.db2.gz ILIKDZDHIADNOT-LESCRADOSA-N 1 2 333.472 3.813 20 0 EHADLO CC[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)C1 ZINC001173263083 1132024026 /nfs/dbraw/zinc/02/40/26/1132024026.db2.gz ILIKDZDHIADNOT-ZVZYQTTQSA-N 1 2 333.472 3.813 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444492 1132101168 /nfs/dbraw/zinc/10/11/68/1132101168.db2.gz XMFNWJBHXNBNAL-QAPCUYQASA-N 1 2 348.446 3.961 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444492 1132101172 /nfs/dbraw/zinc/10/11/72/1132101172.db2.gz XMFNWJBHXNBNAL-QAPCUYQASA-N 1 2 348.446 3.961 20 0 EHADLO CCc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001173869191 1132159869 /nfs/dbraw/zinc/15/98/69/1132159869.db2.gz ZLPSSOOIYCUYOC-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1Cl ZINC000745081833 1132195170 /nfs/dbraw/zinc/19/51/70/1132195170.db2.gz KGORPTGZQXRRPW-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1Cl ZINC000745081833 1132195173 /nfs/dbraw/zinc/19/51/73/1132195173.db2.gz KGORPTGZQXRRPW-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(NC3=CCCC3)c[nH+]2)C1 ZINC001173998606 1132199075 /nfs/dbraw/zinc/19/90/75/1132199075.db2.gz IANYGPONJFYRSM-MRXNPFEDSA-N 1 2 344.459 3.665 20 0 EHADLO c1ccc2ncc(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc2c1 ZINC001174001875 1132199725 /nfs/dbraw/zinc/19/97/25/1132199725.db2.gz DFGVEIQXHMMLGS-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001174003700 1132200646 /nfs/dbraw/zinc/20/06/46/1132200646.db2.gz DPBMNSQDOCGUER-UHFFFAOYSA-N 1 2 325.799 3.756 20 0 EHADLO CC(=O)Nc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001173975425 1132204839 /nfs/dbraw/zinc/20/48/39/1132204839.db2.gz ZPIJDDSYAVYCPA-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO Cc1nc(Nc2cc[nH+]c3ccccc23)nc(C)c1Br ZINC001174037574 1132221770 /nfs/dbraw/zinc/22/17/70/1132221770.db2.gz WEBVFOUBNGRSTP-UHFFFAOYSA-N 1 2 329.201 3.570 20 0 EHADLO COCc1ccccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001174102965 1132228453 /nfs/dbraw/zinc/22/84/53/1132228453.db2.gz CIVRTZIPRJACGL-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001174181494 1132270373 /nfs/dbraw/zinc/27/03/73/1132270373.db2.gz AFKNZBYTAULHBK-UHFFFAOYSA-N 1 2 333.391 3.764 20 0 EHADLO Cn1cnc2ccc(Nc3cc(Br)c4[nH+]ccn4c3)cc21 ZINC001174347445 1132326630 /nfs/dbraw/zinc/32/66/30/1132326630.db2.gz KQAVKTJNZQDFGO-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CSc1nnc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(SC)n1 ZINC001174380652 1132343153 /nfs/dbraw/zinc/34/31/53/1132343153.db2.gz HTFOVFHSCCIAIM-UHFFFAOYSA-N 1 2 346.485 3.990 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3nnc(Br)s3)ccc21 ZINC001174380825 1132343187 /nfs/dbraw/zinc/34/31/87/1132343187.db2.gz LUAMKCWMGKZLDZ-UHFFFAOYSA-N 1 2 338.234 3.975 20 0 EHADLO COC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1O ZINC001174381882 1132343230 /nfs/dbraw/zinc/34/32/30/1132343230.db2.gz VMEQVFAPQKJZNT-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cc4n(n3)CC(C)(C)CO4)ccc21 ZINC001174382344 1132344388 /nfs/dbraw/zinc/34/43/88/1132344388.db2.gz LFMFIFYATHGETJ-UHFFFAOYSA-N 1 2 325.416 3.976 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(F)cc3OCCO)ccc21 ZINC001174385641 1132344523 /nfs/dbraw/zinc/34/45/23/1132344523.db2.gz RYKMKMLDPBQGAO-UHFFFAOYSA-N 1 2 329.375 3.871 20 0 EHADLO COC(=O)COc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1 ZINC001174384524 1132345061 /nfs/dbraw/zinc/34/50/61/1132345061.db2.gz YNTSEYREGYYBEX-UHFFFAOYSA-N 1 2 339.395 3.913 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccc[nH+]c3N3CCCC3)cn2)cc1 ZINC001174437792 1132356258 /nfs/dbraw/zinc/35/62/58/1132356258.db2.gz BSIUWSRIJGVWDN-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC001174441671 1132359179 /nfs/dbraw/zinc/35/91/79/1132359179.db2.gz MGHKZXWNCUVRIO-UHFFFAOYSA-N 1 2 344.459 3.618 20 0 EHADLO Cc1cc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)c(C)n1C1CCCCC1 ZINC000746241650 1132395807 /nfs/dbraw/zinc/39/58/07/1132395807.db2.gz AKDJKBSWOMGSOU-HJWRWDBZSA-N 1 2 340.471 3.705 20 0 EHADLO CCOC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cnc1C ZINC001174521983 1132399009 /nfs/dbraw/zinc/39/90/09/1132399009.db2.gz DPZLXMFKFUBJJG-UHFFFAOYSA-N 1 2 340.427 3.696 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1Nc1cnc(OCC2CCC2)nc1 ZINC001174521669 1132399104 /nfs/dbraw/zinc/39/91/04/1132399104.db2.gz BXGNSEIVSPDDGG-UHFFFAOYSA-N 1 2 339.443 3.784 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cnc1Cl ZINC001174522396 1132399608 /nfs/dbraw/zinc/39/96/08/1132399608.db2.gz KEMUPGBJMYJAIW-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO COC(=O)c1ccnc(Cl)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522959 1132400069 /nfs/dbraw/zinc/40/00/69/1132400069.db2.gz BNYJZEPGRATBMK-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccc4[nH+]ccn43)c(C)n2)cc1 ZINC001174576702 1132404749 /nfs/dbraw/zinc/40/47/49/1132404749.db2.gz JCMZXHACZJMVGP-UHFFFAOYSA-N 1 2 333.395 3.640 20 0 EHADLO CC(C)(NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC001174679413 1132435064 /nfs/dbraw/zinc/43/50/64/1132435064.db2.gz YVUMITKEYQJCJM-BBWFWOEESA-N 1 2 345.487 3.516 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH]c[nH+]2)cccc1NC(=O)c1ccccc1 ZINC000192805616 1132475699 /nfs/dbraw/zinc/47/56/99/1132475699.db2.gz YQDUYSVWZHDLJV-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH+]c[nH]2)cccc1NC(=O)c1ccccc1 ZINC000192805616 1132475705 /nfs/dbraw/zinc/47/57/05/1132475705.db2.gz YQDUYSVWZHDLJV-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO c1cnc2c(c1)cccc2Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174862058 1132489649 /nfs/dbraw/zinc/48/96/49/1132489649.db2.gz LZLPUCPXDBOUJA-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc3c(c2)OCO3)cc[nH+]1 ZINC001174860329 1132489999 /nfs/dbraw/zinc/48/99/99/1132489999.db2.gz PXKGCNVYDLNEMN-UHFFFAOYSA-N 1 2 329.356 3.901 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)OCO3)cn2cc[nH+]c12 ZINC001174864825 1132490890 /nfs/dbraw/zinc/49/08/90/1132490890.db2.gz ABLTYCZNMJMNNX-UHFFFAOYSA-N 1 2 332.157 3.569 20 0 EHADLO Fc1c(Cl)ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1F ZINC001174976771 1132511330 /nfs/dbraw/zinc/51/13/30/1132511330.db2.gz AUVFZNCLUOGHBB-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Clc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c2ccncc12 ZINC001174977720 1132511476 /nfs/dbraw/zinc/51/14/76/1132511476.db2.gz NWDMMBBTLPKZRE-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1c(F)cccc1Cl ZINC000766403197 1132529964 /nfs/dbraw/zinc/52/99/64/1132529964.db2.gz KHDLKJJQMCQOSP-UHFFFAOYSA-N 1 2 333.798 3.986 20 0 EHADLO C[C@H]([NH2+]Cc1ccon1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000766419882 1132539330 /nfs/dbraw/zinc/53/93/30/1132539330.db2.gz GBWVKIIWTODJSG-HNNXBMFYSA-N 1 2 348.406 3.752 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCCCCc1ccccn1 ZINC001168793790 1132543333 /nfs/dbraw/zinc/54/33/33/1132543333.db2.gz XDPYQKYYBGSLLT-UHFFFAOYSA-N 1 2 341.455 3.796 20 0 EHADLO CCOC(=O)c1cnc2cc(Nc3ccc(N(C)C)[nH+]c3)ccc2c1 ZINC001175345403 1132628175 /nfs/dbraw/zinc/62/81/75/1132628175.db2.gz BADVAWQMHHSJCI-UHFFFAOYSA-N 1 2 336.395 3.616 20 0 EHADLO CCOC(=O)c1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC001175347341 1132629045 /nfs/dbraw/zinc/62/90/45/1132629045.db2.gz JTQXBENPQCXNRX-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO COc1nccc(Nc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC001175345661 1132629350 /nfs/dbraw/zinc/62/93/50/1132629350.db2.gz BLCJVDGZUQXMQO-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO CN(C)c1ccc(Nc2nn(C)c3cc(Br)ccc23)c[nH+]1 ZINC001175338116 1132642996 /nfs/dbraw/zinc/64/29/96/1132642996.db2.gz NOSAASAAPBZFOQ-UHFFFAOYSA-N 1 2 346.232 3.540 20 0 EHADLO O=C1CCCc2nc(N=C3CC[NH+](Cc4ccccc4)CC3)sc21 ZINC001175504944 1132693213 /nfs/dbraw/zinc/69/32/13/1132693213.db2.gz HADXBRNBVHDGOV-UHFFFAOYSA-N 1 2 339.464 3.864 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC2=CCC[N@@H+](C)C2)c1Br ZINC001175575028 1132714116 /nfs/dbraw/zinc/71/41/16/1132714116.db2.gz KRMORBCCSALGCB-UHFFFAOYSA-N 1 2 347.260 3.575 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC2=CCC[N@H+](C)C2)c1Br ZINC001175575028 1132714121 /nfs/dbraw/zinc/71/41/21/1132714121.db2.gz KRMORBCCSALGCB-UHFFFAOYSA-N 1 2 347.260 3.575 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000766667307 1132727409 /nfs/dbraw/zinc/72/74/09/1132727409.db2.gz UGFSQKUOXOMASP-HNNXBMFYSA-N 1 2 334.847 3.610 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000766667307 1132727412 /nfs/dbraw/zinc/72/74/12/1132727412.db2.gz UGFSQKUOXOMASP-HNNXBMFYSA-N 1 2 334.847 3.610 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCCC[C@H](C)C1 ZINC001169395535 1132745956 /nfs/dbraw/zinc/74/59/56/1132745956.db2.gz JFNJMAFUZLZTRL-WFASDCNBSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCCC[C@H](C)C1 ZINC001169395535 1132745960 /nfs/dbraw/zinc/74/59/60/1132745960.db2.gz JFNJMAFUZLZTRL-WFASDCNBSA-N 1 2 340.261 3.785 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000804321559 1132754342 /nfs/dbraw/zinc/75/43/42/1132754342.db2.gz ZJXZCEBVHZYSBL-UHFFFAOYSA-N 1 2 331.419 3.751 20 0 EHADLO CN(CCCNC(=O)c1ccc(F)c2ccccc12)c1cccc[nH+]1 ZINC001175708664 1132754528 /nfs/dbraw/zinc/75/45/28/1132754528.db2.gz SYJWSVLWIRTSSG-UHFFFAOYSA-N 1 2 337.398 3.630 20 0 EHADLO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ncccn1 ZINC001175706801 1132754972 /nfs/dbraw/zinc/75/49/72/1132754972.db2.gz GXAZRVPSPRHJCT-UHFFFAOYSA-N 1 2 346.434 3.604 20 0 EHADLO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ncccn1 ZINC001175706801 1132754979 /nfs/dbraw/zinc/75/49/79/1132754979.db2.gz GXAZRVPSPRHJCT-UHFFFAOYSA-N 1 2 346.434 3.604 20 0 EHADLO Cc1ccnc(Br)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710143 1132755609 /nfs/dbraw/zinc/75/56/09/1132755609.db2.gz VMTVOBUTPXPQIP-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccnn2-c2ccccc2F)c[nH+]1 ZINC001175710835 1132755828 /nfs/dbraw/zinc/75/58/28/1132755828.db2.gz LGDISIUSHHLGFI-UHFFFAOYSA-N 1 2 337.280 3.751 20 0 EHADLO O=C(NCCNc1[nH+]cccc1-c1ccccc1)Nc1ccccc1 ZINC001169430213 1132761697 /nfs/dbraw/zinc/76/16/97/1132761697.db2.gz JRLSEKNNNCPADX-UHFFFAOYSA-N 1 2 332.407 3.982 20 0 EHADLO COc1ccc(CNc2[nH+]ccc3cccc(C(F)(F)F)c32)nn1 ZINC001169466164 1132768434 /nfs/dbraw/zinc/76/84/34/1132768434.db2.gz MGYSFBYPHBGEJW-UHFFFAOYSA-N 1 2 334.301 3.664 20 0 EHADLO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001169486201 1132775200 /nfs/dbraw/zinc/77/52/00/1132775200.db2.gz DEXZTMALKYBNGV-NVXWUHKLSA-N 1 2 338.442 3.758 20 0 EHADLO CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001169486201 1132775206 /nfs/dbraw/zinc/77/52/06/1132775206.db2.gz DEXZTMALKYBNGV-NVXWUHKLSA-N 1 2 338.442 3.758 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccc(F)cn1 ZINC001175849696 1132783375 /nfs/dbraw/zinc/78/33/75/1132783375.db2.gz RIFROHWYWHXAMY-UHFFFAOYSA-N 1 2 335.180 3.991 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(N[C@@H]2CCc3ccccc3[C@@H]2O)c1C ZINC001169627274 1132800033 /nfs/dbraw/zinc/80/00/33/1132800033.db2.gz RRZMYMZIALTQCP-SJORKVTESA-N 1 2 325.456 3.851 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@@H]1Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169629757 1132801869 /nfs/dbraw/zinc/80/18/69/1132801869.db2.gz NCTZERIMUROCFY-RBBKRZOGSA-N 1 2 334.463 3.846 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001176072065 1132829209 /nfs/dbraw/zinc/82/92/09/1132829209.db2.gz YVTKIANDDRLCNL-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2cccc(OC3CCCC3)c2)c1 ZINC001176097533 1132834323 /nfs/dbraw/zinc/83/43/23/1132834323.db2.gz QEWNZRLVDFRGID-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO c1cnc(N2CCCC2)c(CNc2cc(-c3ccncc3)cc[nH+]2)c1 ZINC001169854241 1132875962 /nfs/dbraw/zinc/87/59/62/1132875962.db2.gz SAHVPXPPGANJSJ-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(N[C@@H]3c4ccccc4CNC3=O)c2)cc1 ZINC001169876133 1132887201 /nfs/dbraw/zinc/88/72/01/1132887201.db2.gz JFIGLFJTOQQMKR-HXUWFJFHSA-N 1 2 329.403 3.840 20 0 EHADLO CC1(OCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000767107338 1132944872 /nfs/dbraw/zinc/94/48/72/1132944872.db2.gz QDHHSHHPBQIXQW-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO Fc1ccc(Cn2nccc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176743232 1132991113 /nfs/dbraw/zinc/99/11/13/1132991113.db2.gz GYASOMPTECEIBF-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO COc1ccc(-c2cc(Nc3ccc[nH+]c3N3CCCC3)n(C)n2)cc1 ZINC001176743794 1132991226 /nfs/dbraw/zinc/99/12/26/1132991226.db2.gz MSMHYZZSYGGZCG-UHFFFAOYSA-N 1 2 349.438 3.835 20 0 EHADLO COc1nccc(Nc2ccc[nH+]c2N2CCCC2)c1Br ZINC001176744339 1132991312 /nfs/dbraw/zinc/99/13/12/1132991312.db2.gz UFSFDJXCJJUIFY-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO c1c(C2CCC2)nn2cc(Nc3ccc[nH+]c3N3CCCC3)cnc12 ZINC001176748973 1132992384 /nfs/dbraw/zinc/99/23/84/1132992384.db2.gz MBDHKWGAVVSNBY-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO Cc1cc(Br)nc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176750887 1132992848 /nfs/dbraw/zinc/99/28/48/1132992848.db2.gz YYAPTDROLGPGGN-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Fc1nccc(Nc2ccc[nH+]c2N2CCCC2)c1Br ZINC001176750525 1132993352 /nfs/dbraw/zinc/99/33/52/1132993352.db2.gz XFKWNOATOBNONX-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO COCCOc1ccc(F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750710 1132993361 /nfs/dbraw/zinc/99/33/61/1132993361.db2.gz IWZOMZOSFFJZLB-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO O=C(/C=C\SCc1ccco1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767389673 1132995335 /nfs/dbraw/zinc/99/53/35/1132995335.db2.gz JLKVTZKSAZOIPH-XFFZJAGNSA-N 1 2 340.404 3.956 20 0 EHADLO C[C@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000767432124 1133000783 /nfs/dbraw/zinc/00/07/83/1133000783.db2.gz FEHSMYBRBYBMIS-GXSJLCMTSA-N 1 2 345.315 3.662 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001176855768 1133009589 /nfs/dbraw/zinc/00/95/89/1133009589.db2.gz IJKBTZQEUBUIDW-HNNXBMFYSA-N 1 2 345.414 3.788 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001176855768 1133009594 /nfs/dbraw/zinc/00/95/94/1133009594.db2.gz IJKBTZQEUBUIDW-HNNXBMFYSA-N 1 2 345.414 3.788 20 0 EHADLO Cc1ncc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c(Cl)c1Cl ZINC000767580953 1133018749 /nfs/dbraw/zinc/01/87/49/1133018749.db2.gz QPXZQMWUSCZNSA-UHFFFAOYSA-N 1 2 340.210 3.515 20 0 EHADLO Cc1ccc(Br)c(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000767570040 1133020906 /nfs/dbraw/zinc/02/09/06/1133020906.db2.gz WSAGIIJKLGIIEZ-UHFFFAOYSA-N 1 2 349.228 3.576 20 0 EHADLO Cc1ccsc1/C=C/C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177073180 1133027645 /nfs/dbraw/zinc/02/76/45/1133027645.db2.gz LQAGREYMMUUNTE-BQYQJAHWSA-N 1 2 337.448 3.914 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCC[C@@H]1CCC1CCCC1)CCCC2 ZINC000767753007 1133053079 /nfs/dbraw/zinc/05/30/79/1133053079.db2.gz HJGJPSRKYCXCQV-GOSISDBHSA-N 1 2 329.488 3.514 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCC[C@@H]1CCC1CCCC1)CCCC2 ZINC000767753007 1133053085 /nfs/dbraw/zinc/05/30/85/1133053085.db2.gz HJGJPSRKYCXCQV-GOSISDBHSA-N 1 2 329.488 3.514 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000767964177 1133078650 /nfs/dbraw/zinc/07/86/50/1133078650.db2.gz FDZZBBCVESVVBC-CRAIPNDOSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000767964177 1133078655 /nfs/dbraw/zinc/07/86/55/1133078655.db2.gz FDZZBBCVESVVBC-CRAIPNDOSA-N 1 2 334.847 3.610 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1ccc(Br)n1 ZINC000767966274 1133078720 /nfs/dbraw/zinc/07/87/20/1133078720.db2.gz PKJFYWLXDKIOQH-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1ccc(Br)n1 ZINC000767966274 1133078723 /nfs/dbraw/zinc/07/87/23/1133078723.db2.gz PKJFYWLXDKIOQH-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768147714 1133096985 /nfs/dbraw/zinc/09/69/85/1133096985.db2.gz KEPPMHXOYDHTTL-CYBMUJFWSA-N 1 2 341.386 3.634 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(OC(C)(C)C)c2)cn1 ZINC001169986606 1133106319 /nfs/dbraw/zinc/10/63/19/1133106319.db2.gz WDUNQHUSUWTUTH-SFHVURJKSA-N 1 2 345.512 3.888 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(OC(C)(C)C)c2)cn1 ZINC001169986606 1133106320 /nfs/dbraw/zinc/10/63/20/1133106320.db2.gz WDUNQHUSUWTUTH-SFHVURJKSA-N 1 2 345.512 3.888 20 0 EHADLO COCC[N@H+](C)Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000768241196 1133112694 /nfs/dbraw/zinc/11/26/94/1133112694.db2.gz MQLRTFMHYYYSSB-UHFFFAOYSA-N 1 2 335.879 3.786 20 0 EHADLO COCC[N@@H+](C)Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000768241196 1133112698 /nfs/dbraw/zinc/11/26/98/1133112698.db2.gz MQLRTFMHYYYSSB-UHFFFAOYSA-N 1 2 335.879 3.786 20 0 EHADLO C[C@H](C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC001177926910 1133112946 /nfs/dbraw/zinc/11/29/46/1133112946.db2.gz MJBGILVFVRZVJN-LLVKDONJSA-N 1 2 325.334 3.514 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1)n1cc[nH+]c1 ZINC001177921534 1133113488 /nfs/dbraw/zinc/11/34/88/1133113488.db2.gz GCSBBEXLZMMQLY-LLVKDONJSA-N 1 2 344.321 3.548 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)CCOc1ccccc1Cl ZINC000768212402 1133113712 /nfs/dbraw/zinc/11/37/12/1133113712.db2.gz HZQCMSFBSBEINK-UHFFFAOYSA-N 1 2 342.270 3.800 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)CCOc1ccccc1Cl ZINC000768212402 1133113717 /nfs/dbraw/zinc/11/37/17/1133113717.db2.gz HZQCMSFBSBEINK-UHFFFAOYSA-N 1 2 342.270 3.800 20 0 EHADLO COCC[N@H+](C)Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000768241548 1133119725 /nfs/dbraw/zinc/11/97/25/1133119725.db2.gz SWNLBMUVSBVYBV-UHFFFAOYSA-N 1 2 328.243 3.566 20 0 EHADLO COCC[N@@H+](C)Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000768241548 1133119727 /nfs/dbraw/zinc/11/97/27/1133119727.db2.gz SWNLBMUVSBVYBV-UHFFFAOYSA-N 1 2 328.243 3.566 20 0 EHADLO Fc1cc(F)c(F)c(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c1F ZINC001177954193 1133121216 /nfs/dbraw/zinc/12/12/16/1133121216.db2.gz BDNFTOWUEVOEKI-UHFFFAOYSA-N 1 2 349.230 3.854 20 0 EHADLO CN(CCO)c1ccc(NCc2ccc(-c3ccccc3)s2)[nH+]c1 ZINC001178060637 1133128525 /nfs/dbraw/zinc/12/85/25/1133128525.db2.gz VWGXKCMAJGOVQP-UHFFFAOYSA-N 1 2 339.464 3.851 20 0 EHADLO O=C(Nc1cc(C2CCCCC2)ccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118605 1133132556 /nfs/dbraw/zinc/13/25/56/1133132556.db2.gz VTKKWEANUWYHAP-INIZCTEOSA-N 1 2 339.439 3.838 20 0 EHADLO Cc1ccc(CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1F ZINC001178642155 1133190573 /nfs/dbraw/zinc/19/05/73/1133190573.db2.gz MWCKNAQPCCYVJU-CALCHBBNSA-N 1 2 341.430 3.816 20 0 EHADLO Fc1cccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)c1 ZINC000743860764 1133194899 /nfs/dbraw/zinc/19/48/99/1133194899.db2.gz UAEIREOGSUFKSE-UHFFFAOYSA-N 1 2 329.297 3.650 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000768907246 1133200986 /nfs/dbraw/zinc/20/09/86/1133200986.db2.gz NLCXWIXKSRQTLR-KRWDZBQOSA-N 1 2 346.421 3.660 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000768911699 1133202455 /nfs/dbraw/zinc/20/24/55/1133202455.db2.gz SOQXVXLNQVIEMP-GJZGRUSLSA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000768911699 1133202459 /nfs/dbraw/zinc/20/24/59/1133202459.db2.gz SOQXVXLNQVIEMP-GJZGRUSLSA-N 1 2 336.426 3.606 20 0 EHADLO C[N@@H+](Cc1occc1Br)C[C@H]1OCCc2ccccc21 ZINC000769025690 1133215939 /nfs/dbraw/zinc/21/59/39/1133215939.db2.gz YJSBDOATBMXCRL-OAHLLOKOSA-N 1 2 336.229 3.788 20 0 EHADLO C[N@H+](Cc1occc1Br)C[C@H]1OCCc2ccccc21 ZINC000769025690 1133215944 /nfs/dbraw/zinc/21/59/44/1133215944.db2.gz YJSBDOATBMXCRL-OAHLLOKOSA-N 1 2 336.229 3.788 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3cccc(F)c3F)on2)cc1 ZINC001179116190 1133229231 /nfs/dbraw/zinc/22/92/31/1133229231.db2.gz GSLHUHFBTWGTBK-UHFFFAOYSA-N 1 2 330.334 3.918 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)c1F ZINC001179183233 1133231552 /nfs/dbraw/zinc/23/15/52/1133231552.db2.gz FRKMFZVSYMGPII-UHFFFAOYSA-N 1 2 341.361 3.720 20 0 EHADLO Fc1ccc(F)c(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC001179199629 1133234966 /nfs/dbraw/zinc/23/49/66/1133234966.db2.gz HKNPTYGZCIFIKH-KRWDZBQOSA-N 1 2 325.362 3.928 20 0 EHADLO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC001179333152 1133245558 /nfs/dbraw/zinc/24/55/58/1133245558.db2.gz RCQCRDSPLSNWOC-AWEZNQCLSA-N 1 2 341.461 3.525 20 0 EHADLO CCC(=O)N(C)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001179457888 1133253157 /nfs/dbraw/zinc/25/31/57/1133253157.db2.gz LLVILARLDDLLJJ-UHFFFAOYSA-N 1 2 340.452 3.919 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3coc(C4CC4)n3)CC2)c1C ZINC000769497261 1133301640 /nfs/dbraw/zinc/30/16/40/1133301640.db2.gz PFJYGLUSQJDGLI-UHFFFAOYSA-N 1 2 326.440 3.652 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000769562535 1133314795 /nfs/dbraw/zinc/31/47/95/1133314795.db2.gz AFSSGNNHWLNPIH-KRWDZBQOSA-N 1 2 337.391 3.641 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000769562535 1133314799 /nfs/dbraw/zinc/31/47/99/1133314799.db2.gz AFSSGNNHWLNPIH-KRWDZBQOSA-N 1 2 337.391 3.641 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](Cc3cccc4c3NCCC4)CCO2)c1 ZINC001180047457 1133315623 /nfs/dbraw/zinc/31/56/23/1133315623.db2.gz KBRYRXPQTAGQPT-LJQANCHMSA-N 1 2 326.415 3.757 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](Cc3cccc4c3NCCC4)CCO2)c1 ZINC001180047457 1133315628 /nfs/dbraw/zinc/31/56/28/1133315628.db2.gz KBRYRXPQTAGQPT-LJQANCHMSA-N 1 2 326.415 3.757 20 0 EHADLO Cc1csc2nc(C)c(C[N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)n12 ZINC001180011624 1133316749 /nfs/dbraw/zinc/31/67/49/1133316749.db2.gz QYQUTDJUGWQIBT-GFCCVEGCSA-N 1 2 347.406 3.556 20 0 EHADLO Cc1csc2nc(C)c(C[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)n12 ZINC001180011624 1133316752 /nfs/dbraw/zinc/31/67/52/1133316752.db2.gz QYQUTDJUGWQIBT-GFCCVEGCSA-N 1 2 347.406 3.556 20 0 EHADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001180080900 1133326497 /nfs/dbraw/zinc/32/64/97/1133326497.db2.gz IIFHALPCNDYIKM-SNVBAGLBSA-N 1 2 326.849 3.722 20 0 EHADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001180080900 1133326502 /nfs/dbraw/zinc/32/65/02/1133326502.db2.gz IIFHALPCNDYIKM-SNVBAGLBSA-N 1 2 326.849 3.722 20 0 EHADLO Cc1ccccc1[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769733564 1133329850 /nfs/dbraw/zinc/32/98/50/1133329850.db2.gz DPMWUWCWIQSGNI-YLJYHZDGSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccccc1[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769733564 1133329855 /nfs/dbraw/zinc/32/98/55/1133329855.db2.gz DPMWUWCWIQSGNI-YLJYHZDGSA-N 1 2 339.435 3.500 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000769781144 1133344270 /nfs/dbraw/zinc/34/42/70/1133344270.db2.gz FAIPLJOQUKNVLZ-CQSZACIVSA-N 1 2 336.426 3.750 20 0 EHADLO CCc1cccc2cc(C[NH+]3CCN(CC(F)(F)F)CC3)oc21 ZINC001180363931 1133367425 /nfs/dbraw/zinc/36/74/25/1133367425.db2.gz JILXJLMUQTZDRL-UHFFFAOYSA-N 1 2 326.362 3.675 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350783 1133420041 /nfs/dbraw/zinc/42/00/41/1133420041.db2.gz PIVRWTBQIZIIOF-YGRLFVJLSA-N 1 2 340.254 3.551 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350783 1133420044 /nfs/dbraw/zinc/42/00/44/1133420044.db2.gz PIVRWTBQIZIIOF-YGRLFVJLSA-N 1 2 340.254 3.551 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(-c2cccnc2)cc1 ZINC000770433450 1133429484 /nfs/dbraw/zinc/42/94/84/1133429484.db2.gz FLKYTHFCNXGQIZ-OAHLLOKOSA-N 1 2 342.402 3.887 20 0 EHADLO CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C12CCCCC2 ZINC000770433617 1133429767 /nfs/dbraw/zinc/42/97/67/1133429767.db2.gz VGKUPQQZVHHZIY-DLBZAZTESA-N 1 2 341.455 3.534 20 0 EHADLO COc1cc(C)c(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C ZINC000770613215 1133453580 /nfs/dbraw/zinc/45/35/80/1133453580.db2.gz WLIFSKPIPCKOHV-UHFFFAOYSA-N 1 2 328.416 3.725 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1csc(-c2cccs2)n1 ZINC000770922797 1133484806 /nfs/dbraw/zinc/48/48/06/1133484806.db2.gz RWJUDZCNIAISTQ-UHFFFAOYSA-N 1 2 341.417 3.876 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181804183 1133529310 /nfs/dbraw/zinc/52/93/10/1133529310.db2.gz AJIDDXDQKHDMKK-OJLWIZQOSA-N 1 2 328.500 3.916 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1CC1(CC)CC ZINC001181881585 1133546382 /nfs/dbraw/zinc/54/63/82/1133546382.db2.gz NMRHNMISWGGENL-ZDUSSCGKSA-N 1 2 342.443 3.603 20 0 EHADLO O=C(C1c2ccccc2-c2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001181916067 1133550837 /nfs/dbraw/zinc/55/08/37/1133550837.db2.gz XRROMRMOVNYETR-OAHLLOKOSA-N 1 2 343.430 3.928 20 0 EHADLO C[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)Cc1c(F)cccc1F ZINC001181944379 1133553945 /nfs/dbraw/zinc/55/39/45/1133553945.db2.gz CFOMTYNVPZCVPK-UHFFFAOYSA-N 1 2 332.325 3.990 20 0 EHADLO C[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)Cc1c(F)cccc1F ZINC001181944379 1133553948 /nfs/dbraw/zinc/55/39/48/1133553948.db2.gz CFOMTYNVPZCVPK-UHFFFAOYSA-N 1 2 332.325 3.990 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1c(C)ncnc1C)c1ccccc1Cl ZINC001182218112 1133598269 /nfs/dbraw/zinc/59/82/69/1133598269.db2.gz GQFQPGSORGNDMX-KRWDZBQOSA-N 1 2 346.862 3.768 20 0 EHADLO O=C(Nc1cc[nH]n1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182244516 1133599758 /nfs/dbraw/zinc/59/97/58/1133599758.db2.gz ODQRWRYSLFOIJN-INIZCTEOSA-N 1 2 332.835 3.619 20 0 EHADLO Cn1c(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc2ccccc21 ZINC001182262975 1133611323 /nfs/dbraw/zinc/61/13/23/1133611323.db2.gz SYHBGINFJZTRAQ-UHFFFAOYSA-N 1 2 330.391 3.545 20 0 EHADLO CCC1(c2ccccc2)C[NH+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC001182262693 1133611623 /nfs/dbraw/zinc/61/16/23/1133611623.db2.gz XTHWYZFGWOSCEM-UHFFFAOYSA-N 1 2 336.414 3.570 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000772108407 1133641696 /nfs/dbraw/zinc/64/16/96/1133641696.db2.gz BOQDAMRWLVMUTR-IAOULYHDSA-N 1 2 325.456 3.813 20 0 EHADLO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464494 1133683021 /nfs/dbraw/zinc/68/30/21/1133683021.db2.gz LDQLOCGGTYAXTR-WDEREUQCSA-N 1 2 345.270 3.549 20 0 EHADLO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464494 1133683025 /nfs/dbraw/zinc/68/30/25/1133683025.db2.gz LDQLOCGGTYAXTR-WDEREUQCSA-N 1 2 345.270 3.549 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC(C)(C)C ZINC001182555213 1133696164 /nfs/dbraw/zinc/69/61/64/1133696164.db2.gz NNTRJQTUKAEXEW-AAEUAGOBSA-N 1 2 348.874 3.998 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000785726437 1133741729 /nfs/dbraw/zinc/74/17/29/1133741729.db2.gz CTPWRYZQNUZZTI-QWRGUYRKSA-N 1 2 344.238 3.592 20 0 EHADLO Fc1ccc2c(c1)OC[C@@H]([NH2+][C@H](CCc1ccccc1)C(F)F)C2 ZINC001182960137 1133752195 /nfs/dbraw/zinc/75/21/95/1133752195.db2.gz OUIGNKQPAYPKKJ-DLBZAZTESA-N 1 2 335.369 3.985 20 0 EHADLO COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001183018799 1133760774 /nfs/dbraw/zinc/76/07/74/1133760774.db2.gz RSKBTMBKJFVWGQ-OAHLLOKOSA-N 1 2 335.407 3.680 20 0 EHADLO Clc1cccc(Cl)c1C[N@H+](CCO[C@@H]1CCOC1)C1CC1 ZINC001170051620 1133764924 /nfs/dbraw/zinc/76/49/24/1133764924.db2.gz IAMZSIPZNPWKOF-CYBMUJFWSA-N 1 2 330.255 3.763 20 0 EHADLO Clc1cccc(Cl)c1C[N@@H+](CCO[C@@H]1CCOC1)C1CC1 ZINC001170051620 1133764929 /nfs/dbraw/zinc/76/49/29/1133764929.db2.gz IAMZSIPZNPWKOF-CYBMUJFWSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc(Br)cnc2F)c(Cl)n1 ZINC001183551363 1133822806 /nfs/dbraw/zinc/82/28/06/1133822806.db2.gz QESLKLUOHWDXKS-UHFFFAOYSA-N 1 2 344.615 3.630 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cnc(CC(C)C)s1)C2 ZINC001183843810 1133863463 /nfs/dbraw/zinc/86/34/63/1133863463.db2.gz KCDWRRMZZYGJGJ-UHFFFAOYSA-N 1 2 332.469 3.614 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cnc(CC(C)C)s1)C2 ZINC001183843810 1133863471 /nfs/dbraw/zinc/86/34/71/1133863471.db2.gz KCDWRRMZZYGJGJ-UHFFFAOYSA-N 1 2 332.469 3.614 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001183914292 1133877361 /nfs/dbraw/zinc/87/73/61/1133877361.db2.gz DUZRMGQQRNFIAU-VNQPRFMTSA-N 1 2 337.533 3.776 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1coc(C2CCCC2)n1 ZINC000786656607 1133882006 /nfs/dbraw/zinc/88/20/06/1133882006.db2.gz XUNJIUHYBFUJAH-UHFFFAOYSA-N 1 2 337.379 3.875 20 0 EHADLO CC[C@H](NC1CCN(c2ccc([NH+](C)C)cc2)CC1)C(F)(F)F ZINC000786972589 1133927613 /nfs/dbraw/zinc/92/76/13/1133927613.db2.gz DTXMJICBEFNWEB-INIZCTEOSA-N 1 2 329.410 3.652 20 0 EHADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Cl)cc1)c1nccc2ccccc21 ZINC001184328878 1133928421 /nfs/dbraw/zinc/92/84/21/1133928421.db2.gz UEGFEJANAWGWNG-XIKOKIGWSA-N 1 2 339.826 3.765 20 0 EHADLO Cc1ccc(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001184373897 1133932739 /nfs/dbraw/zinc/93/27/39/1133932739.db2.gz FQAVDRJTJWVJOH-UHFFFAOYSA-N 1 2 336.863 3.701 20 0 EHADLO CC(C)(C)n1c2ccccc2[nH+]c1N[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC001184452821 1133943483 /nfs/dbraw/zinc/94/34/83/1133943483.db2.gz UEWVNVGBYWLYHK-ZIAGYGMSSA-N 1 2 347.434 3.837 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000787182816 1133968207 /nfs/dbraw/zinc/96/82/07/1133968207.db2.gz FXMQJJPAAZDMCZ-SNVBAGLBSA-N 1 2 344.768 3.857 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000787182816 1133968209 /nfs/dbraw/zinc/96/82/09/1133968209.db2.gz FXMQJJPAAZDMCZ-SNVBAGLBSA-N 1 2 344.768 3.857 20 0 EHADLO CO[C@H]1CCOc2c(Nc3ccc[nH+]c3N3CCCC3)cccc21 ZINC001184965593 1134008313 /nfs/dbraw/zinc/00/83/13/1134008313.db2.gz YUEOVEBAHDDYMR-KRWDZBQOSA-N 1 2 325.412 3.895 20 0 EHADLO COC(=O)c1cc(Cl)cc(Nc2ccc[nH+]c2N2CCCC2)c1O ZINC001184967552 1134008666 /nfs/dbraw/zinc/00/86/66/1134008666.db2.gz GNHSLORRIKERAE-UHFFFAOYSA-N 1 2 347.802 3.571 20 0 EHADLO COc1cc(CN(C)c2cc(C)[nH+]c(C3CCC3)n2)cc(OC)c1 ZINC001185006944 1134013133 /nfs/dbraw/zinc/01/31/33/1134013133.db2.gz GPLATAMZLWOIPW-UHFFFAOYSA-N 1 2 327.428 3.706 20 0 EHADLO Nc1cc(COC(=O)CCCSc2ccc(Cl)cc2)cc[nH+]1 ZINC000787562757 1134016952 /nfs/dbraw/zinc/01/69/52/1134016952.db2.gz JBLOPXORGBSOAC-UHFFFAOYSA-N 1 2 336.844 3.933 20 0 EHADLO Nc1cc(COC(=O)c2csc(-c3cccc(Cl)c3)n2)cc[nH+]1 ZINC000787597713 1134022593 /nfs/dbraw/zinc/02/25/93/1134022593.db2.gz IQIHHWYOZBEQNT-UHFFFAOYSA-N 1 2 345.811 3.798 20 0 EHADLO CCCSCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243004 1134099631 /nfs/dbraw/zinc/09/96/31/1134099631.db2.gz KTWZYKJQJSVKQY-CQSZACIVSA-N 1 2 335.517 3.574 20 0 EHADLO CCCSCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243004 1134099638 /nfs/dbraw/zinc/09/96/38/1134099638.db2.gz KTWZYKJQJSVKQY-CQSZACIVSA-N 1 2 335.517 3.574 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC=CCC1 ZINC000788242858 1134099854 /nfs/dbraw/zinc/09/98/54/1134099854.db2.gz LKFZTHPWUOBKCK-HZPDHXFCSA-N 1 2 327.472 3.787 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000788242858 1134099860 /nfs/dbraw/zinc/09/98/60/1134099860.db2.gz LKFZTHPWUOBKCK-HZPDHXFCSA-N 1 2 327.472 3.787 20 0 EHADLO Cc1ccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000788334310 1134110241 /nfs/dbraw/zinc/11/02/41/1134110241.db2.gz VEGGDNSNZBDISN-MRXNPFEDSA-N 1 2 327.453 3.549 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000746755285 1134159002 /nfs/dbraw/zinc/15/90/02/1134159002.db2.gz NHFRRZVBXMRURM-IUODEOHRSA-N 1 2 333.476 3.816 20 0 EHADLO C[C@H]1CC[C@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170093232 1134199747 /nfs/dbraw/zinc/19/97/47/1134199747.db2.gz YTVCKJFBMPKXIM-KKUMJFAQSA-N 1 2 341.492 3.597 20 0 EHADLO CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001187310545 1134325307 /nfs/dbraw/zinc/32/53/07/1134325307.db2.gz LUXATHWWZOIEKN-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NC[C@H]1c2ccccc2C[N@H+]1C ZINC001187360853 1134326010 /nfs/dbraw/zinc/32/60/10/1134326010.db2.gz DANQGLOMRJBYDZ-HNNXBMFYSA-N 1 2 349.356 3.902 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001187360853 1134326016 /nfs/dbraw/zinc/32/60/16/1134326016.db2.gz DANQGLOMRJBYDZ-HNNXBMFYSA-N 1 2 349.356 3.902 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001187360854 1134326333 /nfs/dbraw/zinc/32/63/33/1134326333.db2.gz DANQGLOMRJBYDZ-OAHLLOKOSA-N 1 2 349.356 3.902 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001187360854 1134326338 /nfs/dbraw/zinc/32/63/38/1134326338.db2.gz DANQGLOMRJBYDZ-OAHLLOKOSA-N 1 2 349.356 3.902 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1cccc(Br)c1 ZINC001187481695 1134341027 /nfs/dbraw/zinc/34/10/27/1134341027.db2.gz NCOMSQAJIKASFD-UHFFFAOYSA-N 1 2 337.221 3.548 20 0 EHADLO CCc1nsc(NCCN(Cc2ccccc2)c2cccc[nH+]2)n1 ZINC001187534749 1134346462 /nfs/dbraw/zinc/34/64/62/1134346462.db2.gz UXLFBICPWVPDOF-UHFFFAOYSA-N 1 2 339.468 3.614 20 0 EHADLO Cc1sc(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)nc1C(C)C ZINC000789904578 1134347846 /nfs/dbraw/zinc/34/78/46/1134347846.db2.gz BRNZRBYIRFFHJV-AWEZNQCLSA-N 1 2 348.516 3.545 20 0 EHADLO Cc1nc2c(cnn2-c2ccccc2)c(NCc2c[nH]c(C(C)C)[nH+]2)n1 ZINC001187724096 1134375592 /nfs/dbraw/zinc/37/55/92/1134375592.db2.gz DDUBUWMWLQTMCN-UHFFFAOYSA-N 1 2 347.426 3.583 20 0 EHADLO Cc1nc2c(cnn2-c2ccccc2)c(NCc2c[nH+]c(C(C)C)[nH]2)n1 ZINC001187724096 1134375600 /nfs/dbraw/zinc/37/56/00/1134375600.db2.gz DDUBUWMWLQTMCN-UHFFFAOYSA-N 1 2 347.426 3.583 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000790252911 1134385974 /nfs/dbraw/zinc/38/59/74/1134385974.db2.gz ZSEPQUYLSABTAR-OAHLLOKOSA-N 1 2 338.238 3.938 20 0 EHADLO S=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccsc1 ZINC000790306198 1134400906 /nfs/dbraw/zinc/40/09/06/1134400906.db2.gz PYSPLRWRLQNORG-UHFFFAOYSA-N 1 2 332.498 3.620 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425854 1134414297 /nfs/dbraw/zinc/41/42/97/1134414297.db2.gz DNOAXRWBVJVTAG-GJZGRUSLSA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425854 1134414302 /nfs/dbraw/zinc/41/43/02/1134414302.db2.gz DNOAXRWBVJVTAG-GJZGRUSLSA-N 1 2 332.271 3.774 20 0 EHADLO COCC[N@H+](Cn1nc(C2CC2)sc1=S)[C@@H]1CC[C@H](C)C1 ZINC000790477740 1134422439 /nfs/dbraw/zinc/42/24/39/1134422439.db2.gz HPKSTAKYXKCXKJ-WCQYABFASA-N 1 2 327.519 3.646 20 0 EHADLO COCC[N@@H+](Cn1nc(C2CC2)sc1=S)[C@@H]1CC[C@H](C)C1 ZINC000790477740 1134422442 /nfs/dbraw/zinc/42/24/42/1134422442.db2.gz HPKSTAKYXKCXKJ-WCQYABFASA-N 1 2 327.519 3.646 20 0 EHADLO CCCC1CCC([N@H+](C)Cn2ncn(CCCOC)c2=S)CC1 ZINC000790480921 1134423510 /nfs/dbraw/zinc/42/35/10/1134423510.db2.gz NPWSDEVGRHBUPO-UHFFFAOYSA-N 1 2 340.537 3.699 20 0 EHADLO CCCC1CCC([N@@H+](C)Cn2ncn(CCCOC)c2=S)CC1 ZINC000790480921 1134423512 /nfs/dbraw/zinc/42/35/12/1134423512.db2.gz NPWSDEVGRHBUPO-UHFFFAOYSA-N 1 2 340.537 3.699 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)c1nnnn1C1CC1 ZINC000790536269 1134432948 /nfs/dbraw/zinc/43/29/48/1134432948.db2.gz FMODPIBPCAFEGN-OQPBUACISA-N 1 2 338.242 3.653 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000790626374 1134447106 /nfs/dbraw/zinc/44/71/06/1134447106.db2.gz HBADWDSYCREJEF-CQSZACIVSA-N 1 2 339.292 3.631 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(C(C)(C)C)s1 ZINC001188258106 1134447353 /nfs/dbraw/zinc/44/73/53/1134447353.db2.gz RDKUAOKNEICMFF-UHFFFAOYSA-N 1 2 337.514 3.740 20 0 EHADLO Cn1c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC001188366257 1134455640 /nfs/dbraw/zinc/45/56/40/1134455640.db2.gz YSIDGWBYYJHQTH-UHFFFAOYSA-N 1 2 348.328 3.541 20 0 EHADLO C[C@H]1C[NH+](CCSc2ncc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC001188555830 1134475736 /nfs/dbraw/zinc/47/57/36/1134475736.db2.gz ALGDOQDHTUPBLG-STQMWFEESA-N 1 2 336.432 3.682 20 0 EHADLO COc1ccc(NC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC001188753937 1134499066 /nfs/dbraw/zinc/49/90/66/1134499066.db2.gz FQQLUOWEAMHYNB-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3cccc(F)c3C)c[nH+]c12 ZINC001189080410 1134542380 /nfs/dbraw/zinc/54/23/80/1134542380.db2.gz XRCCWVSODUVPRG-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO CCOCCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC000791417579 1134548108 /nfs/dbraw/zinc/54/81/08/1134548108.db2.gz DNRUDNJDMRBIIJ-UHFFFAOYSA-N 1 2 342.439 3.821 20 0 EHADLO CCO[C@H](CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000791422427 1134555762 /nfs/dbraw/zinc/55/57/62/1134555762.db2.gz OUOWFUMVEYXBAE-GOSISDBHSA-N 1 2 330.428 3.675 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC000791466812 1134560587 /nfs/dbraw/zinc/56/05/87/1134560587.db2.gz IAXMTBLMZUGADI-WMZOPIPTSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC000791466812 1134560592 /nfs/dbraw/zinc/56/05/92/1134560592.db2.gz IAXMTBLMZUGADI-WMZOPIPTSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000791535246 1134565557 /nfs/dbraw/zinc/56/55/57/1134565557.db2.gz YVLQPWKNQKYRFK-KYNGSXCRSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)c1ccccc1 ZINC000791535246 1134565562 /nfs/dbraw/zinc/56/55/62/1134565562.db2.gz YVLQPWKNQKYRFK-KYNGSXCRSA-N 1 2 331.843 3.835 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000791643365 1134583661 /nfs/dbraw/zinc/58/36/61/1134583661.db2.gz SPBHGYQJQYLVHO-CABCVRRESA-N 1 2 342.266 3.778 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000791643365 1134583665 /nfs/dbraw/zinc/58/36/65/1134583665.db2.gz SPBHGYQJQYLVHO-CABCVRRESA-N 1 2 342.266 3.778 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC001203284107 1134593020 /nfs/dbraw/zinc/59/30/20/1134593020.db2.gz RJRDAERLXWLRAX-UHFFFAOYSA-N 1 2 328.309 3.760 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)o1 ZINC000775276957 1134607819 /nfs/dbraw/zinc/60/78/19/1134607819.db2.gz OHPHKXMCFNMNBG-CQSZACIVSA-N 1 2 327.428 3.776 20 0 EHADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1c(Cl)cccc1Cl ZINC000791827561 1134615727 /nfs/dbraw/zinc/61/57/27/1134615727.db2.gz UUNRLXUAQQQEJR-SECBINFHSA-N 1 2 325.195 3.818 20 0 EHADLO Nc1cc(COC(=O)CCc2cccc(OC3CCCC3)c2)cc[nH+]1 ZINC000791841165 1134618757 /nfs/dbraw/zinc/61/87/57/1134618757.db2.gz WQSWHYAWQUPJSN-UHFFFAOYSA-N 1 2 340.423 3.661 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)cc1Cl ZINC001170160752 1134625863 /nfs/dbraw/zinc/62/58/63/1134625863.db2.gz IOEGAYIJPXVYDL-UHFFFAOYSA-N 1 2 345.826 3.830 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCOc3ccc(C)cc3C2)cc1Cl ZINC001170160752 1134625869 /nfs/dbraw/zinc/62/58/69/1134625869.db2.gz IOEGAYIJPXVYDL-UHFFFAOYSA-N 1 2 345.826 3.830 20 0 EHADLO O=C(Nc1ccccc1-c1ncc[nH]1)c1ccccc1-n1cc[nH+]c1 ZINC001190099007 1134654858 /nfs/dbraw/zinc/65/48/58/1134654858.db2.gz FDAQUWJIJAWWPI-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2-n2cc[nH+]c2)cnc1OC(C)C ZINC001190086287 1134659786 /nfs/dbraw/zinc/65/97/86/1134659786.db2.gz VZCPUCKEVLGSLX-UHFFFAOYSA-N 1 2 336.395 3.615 20 0 EHADLO O=C1O[C@H](C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC12CCC2 ZINC000792218774 1134672624 /nfs/dbraw/zinc/67/26/24/1134672624.db2.gz SQQHZTOICALSRB-LBPRGKRZSA-N 1 2 340.250 3.837 20 0 EHADLO O=C1O[C@H](C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC12CCC2 ZINC000792218774 1134672627 /nfs/dbraw/zinc/67/26/27/1134672627.db2.gz SQQHZTOICALSRB-LBPRGKRZSA-N 1 2 340.250 3.837 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001170288172 1134742334 /nfs/dbraw/zinc/74/23/34/1134742334.db2.gz MGCXWKRCYXFRDL-AWEZNQCLSA-N 1 2 348.899 3.791 20 0 EHADLO CC(C)COC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001190740941 1134745808 /nfs/dbraw/zinc/74/58/08/1134745808.db2.gz BVLSUVXHNHQWNX-UHFFFAOYSA-N 1 2 338.879 3.683 20 0 EHADLO CSc1ccc(OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000792868010 1134802925 /nfs/dbraw/zinc/80/29/25/1134802925.db2.gz QPPXRZVDAWRQME-UHFFFAOYSA-N 1 2 348.374 3.950 20 0 EHADLO CCOc1ccc(OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000792867464 1134803365 /nfs/dbraw/zinc/80/33/65/1134803365.db2.gz OWXNUUGAHPBUIN-UHFFFAOYSA-N 1 2 346.333 3.627 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc(N3CCO[C@@H](C)C3)cc2)cn1 ZINC000792874584 1134810044 /nfs/dbraw/zinc/81/00/44/1134810044.db2.gz VBIGNMIDVSEMNK-KRWDZBQOSA-N 1 2 325.456 3.660 20 0 EHADLO CCS(=O)(=O)CC[N@H+](CC(C)C)[C@H](C)c1ccccc1Cl ZINC000792922994 1134826985 /nfs/dbraw/zinc/82/69/85/1134826985.db2.gz AKCFAEOBIKETIX-CQSZACIVSA-N 1 2 331.909 3.794 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](CC(C)C)[C@H](C)c1ccccc1Cl ZINC000792922994 1134826991 /nfs/dbraw/zinc/82/69/91/1134826991.db2.gz AKCFAEOBIKETIX-CQSZACIVSA-N 1 2 331.909 3.794 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)NCCCc3ccccc3)c[nH+]c12 ZINC001191227270 1134831423 /nfs/dbraw/zinc/83/14/23/1134831423.db2.gz ORHPOICBVHKRBJ-INIZCTEOSA-N 1 2 336.439 3.636 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccc4c[nH]nc4c3)c2)[nH+]c1C ZINC000793168858 1134866345 /nfs/dbraw/zinc/86/63/45/1134866345.db2.gz WJPRFMQYVCUQGB-UHFFFAOYSA-N 1 2 345.406 3.751 20 0 EHADLO Cc1cc2occ(CC(=O)OCCc3c[nH+]cn3C)c2cc1C(C)C ZINC000793249422 1134889364 /nfs/dbraw/zinc/88/93/64/1134889364.db2.gz GWSNOWFOQAJVSX-UHFFFAOYSA-N 1 2 340.423 3.927 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793250920 1134889617 /nfs/dbraw/zinc/88/96/17/1134889617.db2.gz MOBVZOGVVRIDOE-UHFFFAOYSA-N 1 2 326.421 3.857 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000793253138 1134890530 /nfs/dbraw/zinc/89/05/30/1134890530.db2.gz YEKHWUIXSXXIJC-UONOGXRCSA-N 1 2 339.222 3.616 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)cs1 ZINC001191664324 1134901385 /nfs/dbraw/zinc/90/13/85/1134901385.db2.gz RHVAICLQNJZQIT-MSOLQXFVSA-N 1 2 345.487 3.518 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCCCc1nccs1)c1ccccc1 ZINC000793360525 1134909265 /nfs/dbraw/zinc/90/92/65/1134909265.db2.gz YEPPOBNVVMDVOS-QGZVFWFLSA-N 1 2 332.469 3.702 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCCCc1nccs1)c1ccccc1 ZINC000793360525 1134909273 /nfs/dbraw/zinc/90/92/73/1134909273.db2.gz YEPPOBNVVMDVOS-QGZVFWFLSA-N 1 2 332.469 3.702 20 0 EHADLO Fc1ccc(N2CCC[N@H+](Cc3coc(C4CC4)n3)CC2)cc1F ZINC000793606836 1134969124 /nfs/dbraw/zinc/96/91/24/1134969124.db2.gz NUZUCXUDUNWASX-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO Fc1ccc(N2CCC[N@@H+](Cc3coc(C4CC4)n3)CC2)cc1F ZINC000793606836 1134969128 /nfs/dbraw/zinc/96/91/28/1134969128.db2.gz NUZUCXUDUNWASX-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cn2nc(C)n(-c3ccccc3)c2=S)C1 ZINC000793798639 1134991325 /nfs/dbraw/zinc/99/13/25/1134991325.db2.gz XHRWPBNMLQTONT-OAHLLOKOSA-N 1 2 348.541 3.744 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccccc3)c2=S)C1 ZINC000793798639 1134991329 /nfs/dbraw/zinc/99/13/29/1134991329.db2.gz XHRWPBNMLQTONT-OAHLLOKOSA-N 1 2 348.541 3.744 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1nc(Cl)ccc1F ZINC000794206486 1135027765 /nfs/dbraw/zinc/02/77/65/1135027765.db2.gz NPLIVHXOCPWWMQ-UHFFFAOYSA-N 1 2 330.750 3.825 20 0 EHADLO CC(C)O[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000794249391 1135031846 /nfs/dbraw/zinc/03/18/46/1135031846.db2.gz LYWPXWYCGSHDMY-FQEVSTJZSA-N 1 2 349.434 3.655 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccnc1Oc1ccccc1 ZINC001192691730 1135045426 /nfs/dbraw/zinc/04/54/26/1135045426.db2.gz WQTFHEZBUFSDIV-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CC(C)COc1cc(NC2CCN(CC(F)(F)F)CC2)cc[nH+]1 ZINC001170447385 1135049447 /nfs/dbraw/zinc/04/94/47/1135049447.db2.gz DUPHMRJZEBOWPZ-UHFFFAOYSA-N 1 2 331.382 3.555 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000775583329 1135119206 /nfs/dbraw/zinc/11/92/06/1135119206.db2.gz SKSFFCONOLWJID-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000775583329 1135119209 /nfs/dbraw/zinc/11/92/09/1135119209.db2.gz SKSFFCONOLWJID-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO CCOC(=O)N1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000775588139 1135121241 /nfs/dbraw/zinc/12/12/41/1135121241.db2.gz IERXBSSTFIRLRC-GFCCVEGCSA-N 1 2 328.815 3.704 20 0 EHADLO CCOC(=O)N1CCC[N@H+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000775588139 1135121244 /nfs/dbraw/zinc/12/12/44/1135121244.db2.gz IERXBSSTFIRLRC-GFCCVEGCSA-N 1 2 328.815 3.704 20 0 EHADLO CCc1cccc(N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC001129629175 1135122253 /nfs/dbraw/zinc/12/22/53/1135122253.db2.gz JVYDCJDAMOZDIL-UHFFFAOYSA-N 1 2 343.377 3.848 20 0 EHADLO Clc1ccccc1CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001193366573 1135131391 /nfs/dbraw/zinc/13/13/91/1135131391.db2.gz ZAEPTPMKYZCOQH-GOSISDBHSA-N 1 2 331.843 3.662 20 0 EHADLO Clc1ccccc1CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001193366573 1135131394 /nfs/dbraw/zinc/13/13/94/1135131394.db2.gz ZAEPTPMKYZCOQH-GOSISDBHSA-N 1 2 331.843 3.662 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](CCOc1cccc2ccccc21)C1CC1 ZINC001193472027 1135140971 /nfs/dbraw/zinc/14/09/71/1135140971.db2.gz BOQWXXJRUAYHGQ-HNNXBMFYSA-N 1 2 327.424 3.635 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](CCOc1cccc2ccccc21)C1CC1 ZINC001193472027 1135140973 /nfs/dbraw/zinc/14/09/73/1135140973.db2.gz BOQWXXJRUAYHGQ-HNNXBMFYSA-N 1 2 327.424 3.635 20 0 EHADLO Cc1ccccc1[C@H](O)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000804812609 1135202411 /nfs/dbraw/zinc/20/24/11/1135202411.db2.gz JWQTUPJVAAPEJO-LJQANCHMSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cc(CO)ccc2F)c2ccccn2)cc1 ZINC001194052347 1135222339 /nfs/dbraw/zinc/22/23/39/1135222339.db2.gz UQFRTBOFGFJTHN-OAQYLSRUSA-N 1 2 336.410 3.901 20 0 EHADLO Cc1cc(CNC(=O)c2ncoc2-c2ccccc2Cl)cc(C)[nH+]1 ZINC001130045394 1135226942 /nfs/dbraw/zinc/22/69/42/1135226942.db2.gz NFTWVYHGIXOASJ-UHFFFAOYSA-N 1 2 341.798 3.937 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001194123012 1135229040 /nfs/dbraw/zinc/22/90/40/1135229040.db2.gz DYUHBKUFCUKTCY-ZDUSSCGKSA-N 1 2 330.881 3.844 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001194123012 1135229042 /nfs/dbraw/zinc/22/90/42/1135229042.db2.gz DYUHBKUFCUKTCY-ZDUSSCGKSA-N 1 2 330.881 3.844 20 0 EHADLO CCCCCCOC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001194185780 1135234360 /nfs/dbraw/zinc/23/43/60/1135234360.db2.gz SPVBMAXEMBPGBB-UHFFFAOYSA-N 1 2 347.503 3.953 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC001194466130 1135271147 /nfs/dbraw/zinc/27/11/47/1135271147.db2.gz AZDDTRKFSBFHDM-NEPJUHHUSA-N 1 2 328.815 3.703 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC001194466130 1135271149 /nfs/dbraw/zinc/27/11/49/1135271149.db2.gz AZDDTRKFSBFHDM-NEPJUHHUSA-N 1 2 328.815 3.703 20 0 EHADLO Clc1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc(Cl)n1 ZINC000805753806 1135318197 /nfs/dbraw/zinc/31/81/97/1135318197.db2.gz SKAUQIJMZZZTTD-CQSZACIVSA-N 1 2 338.238 3.575 20 0 EHADLO Clc1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc(Cl)n1 ZINC000805753806 1135318205 /nfs/dbraw/zinc/31/82/05/1135318205.db2.gz SKAUQIJMZZZTTD-CQSZACIVSA-N 1 2 338.238 3.575 20 0 EHADLO O[C@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)c(F)c1 ZINC000805841739 1135333985 /nfs/dbraw/zinc/33/39/85/1135333985.db2.gz SWMCLHYFBLRAQV-HXUWFJFHSA-N 1 2 342.389 3.859 20 0 EHADLO O[C@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)c(F)c1 ZINC000805841739 1135333988 /nfs/dbraw/zinc/33/39/88/1135333988.db2.gz SWMCLHYFBLRAQV-HXUWFJFHSA-N 1 2 342.389 3.859 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCCC3(CC(F)C3)CC2)c1 ZINC001194895691 1135337130 /nfs/dbraw/zinc/33/71/30/1135337130.db2.gz WISGRBQYVCCJAN-UHFFFAOYSA-N 1 2 341.430 3.832 20 0 EHADLO Cc1[nH+]ccn1CCCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000101648885 1135369400 /nfs/dbraw/zinc/36/94/00/1135369400.db2.gz HSZBIBYAKGXGDD-UHFFFAOYSA-N 1 2 349.394 3.747 20 0 EHADLO CC[C@H](C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001195151357 1135381378 /nfs/dbraw/zinc/38/13/78/1135381378.db2.gz RAIJMUYZRZGZJL-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO CC1(C)C[N@H+](Cc2cn(Cc3ccccc3)nn2)Cc2ccccc21 ZINC000775642839 1135381752 /nfs/dbraw/zinc/38/17/52/1135381752.db2.gz PONPPIFIUXEXOL-UHFFFAOYSA-N 1 2 332.451 3.620 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn(Cc3ccccc3)nn2)Cc2ccccc21 ZINC000775642839 1135381758 /nfs/dbraw/zinc/38/17/58/1135381758.db2.gz PONPPIFIUXEXOL-UHFFFAOYSA-N 1 2 332.451 3.620 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001195299282 1135408893 /nfs/dbraw/zinc/40/88/93/1135408893.db2.gz MULHJXILQYQMFO-DVOMOZLQSA-N 1 2 331.378 3.628 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001195299282 1135408897 /nfs/dbraw/zinc/40/88/97/1135408897.db2.gz MULHJXILQYQMFO-DVOMOZLQSA-N 1 2 331.378 3.628 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001195301125 1135409681 /nfs/dbraw/zinc/40/96/81/1135409681.db2.gz YBFQAYOWLCKNTQ-HIFRSBDPSA-N 1 2 329.362 3.955 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001195301125 1135409682 /nfs/dbraw/zinc/40/96/82/1135409682.db2.gz YBFQAYOWLCKNTQ-HIFRSBDPSA-N 1 2 329.362 3.955 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001195335496 1135418254 /nfs/dbraw/zinc/41/82/54/1135418254.db2.gz LGJGZAGNTCIUPR-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001195375713 1135420880 /nfs/dbraw/zinc/42/08/80/1135420880.db2.gz BNWHOSNJVDUFDU-QGZVFWFLSA-N 1 2 341.455 3.868 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001195375713 1135420885 /nfs/dbraw/zinc/42/08/85/1135420885.db2.gz BNWHOSNJVDUFDU-QGZVFWFLSA-N 1 2 341.455 3.868 20 0 EHADLO CCc1cccc(C[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC001195412689 1135421072 /nfs/dbraw/zinc/42/10/72/1135421072.db2.gz GEKINXLZLGZNBS-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CCc1cccc(C[N@H+]2CCc3nccc(Br)c3C2)c1 ZINC001195412689 1135421074 /nfs/dbraw/zinc/42/10/74/1135421074.db2.gz GEKINXLZLGZNBS-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CSc1cccc(F)c1CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806360375 1135435300 /nfs/dbraw/zinc/43/53/00/1135435300.db2.gz FPAGFDVKDVMFKK-UHFFFAOYSA-N 1 2 348.447 3.639 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccccc2)C(C)C)c1C ZINC000102013530 1135439332 /nfs/dbraw/zinc/43/93/32/1135439332.db2.gz MLNHKOLVUOZBSF-UHFFFAOYSA-N 1 2 341.455 3.827 20 0 EHADLO C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775672299 1135469685 /nfs/dbraw/zinc/46/96/85/1135469685.db2.gz KAJDKKHBCMZWIS-CRAIPNDOSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775672299 1135469689 /nfs/dbraw/zinc/46/96/89/1135469689.db2.gz KAJDKKHBCMZWIS-CRAIPNDOSA-N 1 2 341.455 3.589 20 0 EHADLO CC(C)(C)CC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001195938692 1135486977 /nfs/dbraw/zinc/48/69/77/1135486977.db2.gz RGLIJVLSDOYQQC-UHFFFAOYSA-N 1 2 336.907 3.853 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(Cl)c1C)CC2 ZINC001195912243 1135490368 /nfs/dbraw/zinc/49/03/68/1135490368.db2.gz YKRDJHZLXLIHLL-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(Cl)c1C)CC2 ZINC001195912243 1135490372 /nfs/dbraw/zinc/49/03/72/1135490372.db2.gz YKRDJHZLXLIHLL-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO COc1cccc(NC(=S)N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1 ZINC001196074150 1135513892 /nfs/dbraw/zinc/51/38/92/1135513892.db2.gz SSNQEDMSAKJSDV-ZDUSSCGKSA-N 1 2 340.452 3.699 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)NC[C@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000747400785 1135552199 /nfs/dbraw/zinc/55/21/99/1135552199.db2.gz NUSBQYBFGXVLOG-YCOJEUHLSA-N 1 2 349.434 3.511 20 0 EHADLO O=C1N(C[N@H+](Cc2cccs2)C2CC2)CCN1c1ccccc1 ZINC000808139450 1135622697 /nfs/dbraw/zinc/62/26/97/1135622697.db2.gz YBRGQQGTBPCZSX-UHFFFAOYSA-N 1 2 327.453 3.612 20 0 EHADLO O=C1N(C[N@@H+](Cc2cccs2)C2CC2)CCN1c1ccccc1 ZINC000808139450 1135622698 /nfs/dbraw/zinc/62/26/98/1135622698.db2.gz YBRGQQGTBPCZSX-UHFFFAOYSA-N 1 2 327.453 3.612 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(C)cc1F)CCC2 ZINC000348223019 1135623559 /nfs/dbraw/zinc/62/35/59/1135623559.db2.gz XQYMZPUWBYWSSF-INIZCTEOSA-N 1 2 347.459 3.847 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C)cc1F)CCC2 ZINC000348223019 1135623563 /nfs/dbraw/zinc/62/35/63/1135623563.db2.gz XQYMZPUWBYWSSF-INIZCTEOSA-N 1 2 347.459 3.847 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808183330 1135627403 /nfs/dbraw/zinc/62/74/03/1135627403.db2.gz UOIHWABYFOTZBV-GOSISDBHSA-N 1 2 341.430 3.528 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808183330 1135627407 /nfs/dbraw/zinc/62/74/07/1135627407.db2.gz UOIHWABYFOTZBV-GOSISDBHSA-N 1 2 341.430 3.528 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)n4cc[nH+]c4)cc3)nc12 ZINC000053837781 1135628040 /nfs/dbraw/zinc/62/80/40/1135628040.db2.gz SIBDWNBTDMEVLD-HNNXBMFYSA-N 1 2 345.406 3.706 20 0 EHADLO CC(C)c1cc(N[C@@H]2COc3ccccc3[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000808167684 1135629551 /nfs/dbraw/zinc/62/95/51/1135629551.db2.gz HCJJQJOEVWMXFA-QAPCUYQASA-N 1 2 327.428 3.630 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1cccnc1 ZINC000808230413 1135638700 /nfs/dbraw/zinc/63/87/00/1135638700.db2.gz IRGFHECLBNBWFC-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1-c1cccnc1 ZINC000808230413 1135638704 /nfs/dbraw/zinc/63/87/04/1135638704.db2.gz IRGFHECLBNBWFC-MRXNPFEDSA-N 1 2 343.500 3.575 20 0 EHADLO CCCCCc1ccc(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001197009201 1135640011 /nfs/dbraw/zinc/64/00/11/1135640011.db2.gz PLNFGXNGOQLBAH-KRWDZBQOSA-N 1 2 347.503 3.604 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1C(F)(F)F ZINC001197524044 1135698274 /nfs/dbraw/zinc/69/82/74/1135698274.db2.gz QBMWPAFIUKSILN-NXEZZACHSA-N 1 2 341.782 3.575 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C(F)(F)F ZINC001197524044 1135698277 /nfs/dbraw/zinc/69/82/77/1135698277.db2.gz QBMWPAFIUKSILN-NXEZZACHSA-N 1 2 341.782 3.575 20 0 EHADLO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000808796146 1135739729 /nfs/dbraw/zinc/73/97/29/1135739729.db2.gz FLYUVGJFAMBOCP-AWEZNQCLSA-N 1 2 336.785 3.738 20 0 EHADLO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000808796146 1135739732 /nfs/dbraw/zinc/73/97/32/1135739732.db2.gz FLYUVGJFAMBOCP-AWEZNQCLSA-N 1 2 336.785 3.738 20 0 EHADLO Cc1ccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c(C)c1 ZINC001197970894 1135759461 /nfs/dbraw/zinc/75/94/61/1135759461.db2.gz GWIZJCANJBIVBP-UHFFFAOYSA-N 1 2 341.480 3.939 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1ccc(SC(F)(F)F)cc1 ZINC000809057315 1135769397 /nfs/dbraw/zinc/76/93/97/1135769397.db2.gz GAZKBBTUDYWCMM-UHFFFAOYSA-N 1 2 330.331 3.881 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001198351256 1135809704 /nfs/dbraw/zinc/80/97/04/1135809704.db2.gz XLTIMODXWXYOFZ-KRWDZBQOSA-N 1 2 341.480 3.939 20 0 EHADLO Fc1ccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1Cl ZINC001198499019 1135823703 /nfs/dbraw/zinc/82/37/03/1135823703.db2.gz RDKSMQRRYITLGD-AWEZNQCLSA-N 1 2 331.822 3.859 20 0 EHADLO Fc1ccc(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1Cl ZINC001198499019 1135823707 /nfs/dbraw/zinc/82/37/07/1135823707.db2.gz RDKSMQRRYITLGD-AWEZNQCLSA-N 1 2 331.822 3.859 20 0 EHADLO CC[N@H+](Cc1cn(C(C)C)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000809547313 1135854178 /nfs/dbraw/zinc/85/41/78/1135854178.db2.gz OLFQWHVIXPLEON-UHFFFAOYSA-N 1 2 326.366 3.900 20 0 EHADLO CC[N@@H+](Cc1cn(C(C)C)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000809547313 1135854180 /nfs/dbraw/zinc/85/41/80/1135854180.db2.gz OLFQWHVIXPLEON-UHFFFAOYSA-N 1 2 326.366 3.900 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@@H+]1CCc2ncsc2C1)C(C)(C)C ZINC000809649923 1135865068 /nfs/dbraw/zinc/86/50/68/1135865068.db2.gz HUAFWFYZVCPFAX-UHFFFAOYSA-N 1 2 339.505 3.537 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@H+]1CCc2ncsc2C1)C(C)(C)C ZINC000809649923 1135865072 /nfs/dbraw/zinc/86/50/72/1135865072.db2.gz HUAFWFYZVCPFAX-UHFFFAOYSA-N 1 2 339.505 3.537 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000809721159 1135878291 /nfs/dbraw/zinc/87/82/91/1135878291.db2.gz UOBMQTTUAUPYHY-ZDUSSCGKSA-N 1 2 344.377 3.593 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000809721159 1135878294 /nfs/dbraw/zinc/87/82/94/1135878294.db2.gz UOBMQTTUAUPYHY-ZDUSSCGKSA-N 1 2 344.377 3.593 20 0 EHADLO CCCOc1c(Cl)cc(C[NH2+]Cc2nonc2C)cc1OCC ZINC000809744598 1135884026 /nfs/dbraw/zinc/88/40/26/1135884026.db2.gz UDTBAXQBPNUFFV-UHFFFAOYSA-N 1 2 339.823 3.509 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(N2CCOC2=O)cc1 ZINC000809971591 1135904728 /nfs/dbraw/zinc/90/47/28/1135904728.db2.gz IBBDPRUXBWBJQV-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC001199509759 1135910049 /nfs/dbraw/zinc/91/00/49/1135910049.db2.gz GONSYMVTHZMMOH-UHFFFAOYSA-N 1 2 326.425 3.513 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001199564623 1135911903 /nfs/dbraw/zinc/91/19/03/1135911903.db2.gz ZLPJFNGDTNPTHR-HUUCEWRRSA-N 1 2 346.450 3.658 20 0 EHADLO Cc1nc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)nc2ccccc12 ZINC001199989315 1135943584 /nfs/dbraw/zinc/94/35/84/1135943584.db2.gz BZVSSKUECSEKOQ-UHFFFAOYSA-N 1 2 343.434 3.629 20 0 EHADLO O=C(OCCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776096451 1135954949 /nfs/dbraw/zinc/95/49/49/1135954949.db2.gz ASRALANSQMTINE-UHFFFAOYSA-N 1 2 328.318 3.550 20 0 EHADLO Fc1ccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c(F)c1 ZINC001200921654 1135965950 /nfs/dbraw/zinc/96/59/50/1135965950.db2.gz HLRKRDJJSNETDN-UHFFFAOYSA-N 1 2 349.406 3.600 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000810550972 1135971278 /nfs/dbraw/zinc/97/12/78/1135971278.db2.gz KACHFXCXYDKBQG-YUELXQCFSA-N 1 2 346.368 3.571 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000810550972 1135971280 /nfs/dbraw/zinc/97/12/80/1135971280.db2.gz KACHFXCXYDKBQG-YUELXQCFSA-N 1 2 346.368 3.571 20 0 EHADLO S=C(NCCOc1cc[nH+]cc1)Nc1cccc(Cl)c1Cl ZINC001201029193 1135979264 /nfs/dbraw/zinc/97/92/64/1135979264.db2.gz XGVMROCZDXWYNX-UHFFFAOYSA-N 1 2 342.251 3.754 20 0 EHADLO CSc1ccc(NC(=S)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001201181398 1135993233 /nfs/dbraw/zinc/99/32/33/1135993233.db2.gz LUMRREAKHYNTNY-HNNXBMFYSA-N 1 2 345.493 3.654 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001132408179 1135997100 /nfs/dbraw/zinc/99/71/00/1135997100.db2.gz CVDHWZGWUPADQK-QIJUGHKUSA-N 1 2 348.490 3.948 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001132408179 1135997103 /nfs/dbraw/zinc/99/71/03/1135997103.db2.gz CVDHWZGWUPADQK-QIJUGHKUSA-N 1 2 348.490 3.948 20 0 EHADLO CC(C)(C)OC(=O)N1Cc2ccc(Nc3ccc(N)[nH+]c3)cc2C1 ZINC001201284575 1136000892 /nfs/dbraw/zinc/00/08/92/1136000892.db2.gz STMQNISGVVNOSC-UHFFFAOYSA-N 1 2 326.400 3.658 20 0 EHADLO COc1cc(OC(F)(F)F)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001201353223 1136011145 /nfs/dbraw/zinc/01/11/45/1136011145.db2.gz UBKNULBWNDOXIH-UHFFFAOYSA-N 1 2 327.306 3.798 20 0 EHADLO C[N@H+](CCc1cccnc1)C/C(Br)=C/c1ccccc1 ZINC001201460589 1136022873 /nfs/dbraw/zinc/02/28/73/1136022873.db2.gz SECIHBKFHWCDTH-ATVHPVEESA-N 1 2 331.257 3.992 20 0 EHADLO C[N@@H+](CCc1cccnc1)C/C(Br)=C/c1ccccc1 ZINC001201460589 1136022877 /nfs/dbraw/zinc/02/28/77/1136022877.db2.gz SECIHBKFHWCDTH-ATVHPVEESA-N 1 2 331.257 3.992 20 0 EHADLO OCCSCc1cc[nH+]c(NC/C=C/c2ccc(F)cc2F)c1 ZINC001201872353 1136072138 /nfs/dbraw/zinc/07/21/38/1136072138.db2.gz ICLJIXJKTWTTRE-OWOJBTEDSA-N 1 2 336.407 3.711 20 0 EHADLO S=c1oc(-c2ccc(Cl)cc2)cn1CN1CCn2c[nH+]cc2C1 ZINC000811787810 1136140888 /nfs/dbraw/zinc/14/08/88/1136140888.db2.gz VSFRGXFGAUDINY-UHFFFAOYSA-N 1 2 346.843 3.801 20 0 EHADLO COc1ccc(N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1Cl ZINC001202396963 1136142541 /nfs/dbraw/zinc/14/25/41/1136142541.db2.gz SNAABVYBWFBJKN-UHFFFAOYSA-N 1 2 348.834 3.786 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000811858811 1136147512 /nfs/dbraw/zinc/14/75/12/1136147512.db2.gz OXEFIBDPYXLMEM-SFHVURJKSA-N 1 2 326.444 3.541 20 0 EHADLO CCc1c(Cl)nc(-c2ccccc2)nc1NCc1c[nH+]cn1C ZINC000811846276 1136149798 /nfs/dbraw/zinc/14/97/98/1136149798.db2.gz OXAXQDVAMUKSIG-UHFFFAOYSA-N 1 2 327.819 3.705 20 0 EHADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)c(C)n1[C@H](C)c1ccccc1 ZINC000747781569 1136191518 /nfs/dbraw/zinc/19/15/18/1136191518.db2.gz MAWBKFJULZDAMZ-OAHLLOKOSA-N 1 2 337.423 3.805 20 0 EHADLO C[C@H]1C[N@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290809 1136192230 /nfs/dbraw/zinc/19/22/30/1136192230.db2.gz JTBOGGDMOZKAAL-JSGCOSHPSA-N 1 2 342.817 3.591 20 0 EHADLO C[C@H]1C[N@@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290809 1136192232 /nfs/dbraw/zinc/19/22/32/1136192232.db2.gz JTBOGGDMOZKAAL-JSGCOSHPSA-N 1 2 342.817 3.591 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000747785032 1136198675 /nfs/dbraw/zinc/19/86/75/1136198675.db2.gz YMRBWJVNCPPHAK-SFHVURJKSA-N 1 2 338.432 3.997 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2C=CCC2)cs1)c1ccc(F)cc1 ZINC000850359170 1136240510 /nfs/dbraw/zinc/24/05/10/1136240510.db2.gz ZJKWACQQVOAQHJ-CQSZACIVSA-N 1 2 331.416 3.775 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n(C)c1C ZINC000812745944 1136240911 /nfs/dbraw/zinc/24/09/11/1136240911.db2.gz NKGNGFLCHACWKM-SFHVURJKSA-N 1 2 348.393 3.735 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n(C)c1C ZINC000812745944 1136240915 /nfs/dbraw/zinc/24/09/15/1136240915.db2.gz NKGNGFLCHACWKM-SFHVURJKSA-N 1 2 348.393 3.735 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001133454103 1136252420 /nfs/dbraw/zinc/25/24/20/1136252420.db2.gz VSTZEIPVBNDZGJ-MJGOQNOKSA-N 1 2 337.467 3.641 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000812944009 1136273812 /nfs/dbraw/zinc/27/38/12/1136273812.db2.gz LDTOSKSBWZEMJA-UHFFFAOYSA-N 1 2 330.775 3.583 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C\C(=O)NCc2nc(C[NH+](C)C)cs2)C1(C)C ZINC001133651278 1136303235 /nfs/dbraw/zinc/30/32/35/1136303235.db2.gz ALHJFFXRNAWELH-WKZWABTMSA-N 1 2 349.544 3.840 20 0 EHADLO COc1ccc(-c2nc(C(=O)Nc3c(C)c[nH+]cc3C)cs2)cc1 ZINC001133682275 1136312011 /nfs/dbraw/zinc/31/20/11/1136312011.db2.gz RHTUXEPLALMAKN-UHFFFAOYSA-N 1 2 339.420 3.505 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000338931124 1136334249 /nfs/dbraw/zinc/33/42/49/1136334249.db2.gz ZUVIAUASMWDHLX-UHFFFAOYSA-N 1 2 335.444 3.510 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000338931124 1136334253 /nfs/dbraw/zinc/33/42/53/1136334253.db2.gz ZUVIAUASMWDHLX-UHFFFAOYSA-N 1 2 335.444 3.510 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001137649988 1136367986 /nfs/dbraw/zinc/36/79/86/1136367986.db2.gz XVIFGHIYBHIYPQ-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001137649988 1136367988 /nfs/dbraw/zinc/36/79/88/1136367988.db2.gz XVIFGHIYBHIYPQ-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO CC[C@H](OC1CCCC1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399323 1136376625 /nfs/dbraw/zinc/37/66/25/1136376625.db2.gz QPANRHJEJIGEDE-SFHVURJKSA-N 1 2 346.471 3.579 20 0 EHADLO O=C(C[C@H]1CCC(F)(F)C1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400947 1136377023 /nfs/dbraw/zinc/37/70/23/1136377023.db2.gz XXPNAMNIBIWDOU-OAHLLOKOSA-N 1 2 338.398 3.667 20 0 EHADLO CO[C@H](COC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000851418077 1136377750 /nfs/dbraw/zinc/37/77/50/1136377750.db2.gz AYOHKZMRJJRQHK-LJQANCHMSA-N 1 2 342.439 3.684 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](CC=C(Cl)Cl)CC2)cc1 ZINC000851715446 1136401057 /nfs/dbraw/zinc/40/10/57/1136401057.db2.gz VAXDQDSHJLYHKW-UHFFFAOYSA-N 1 2 328.239 3.909 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851729904 1136402144 /nfs/dbraw/zinc/40/21/44/1136402144.db2.gz RYHZRENCZQQPSC-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(F)F)cc1 ZINC000814111137 1136405351 /nfs/dbraw/zinc/40/53/51/1136405351.db2.gz QLXXDEFQZGDGPG-OAHLLOKOSA-N 1 2 335.398 3.840 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccccc2C)c1 ZINC000851789690 1136407645 /nfs/dbraw/zinc/40/76/45/1136407645.db2.gz CTGOTOCCYLPCKM-CYBMUJFWSA-N 1 2 343.452 3.591 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)n1 ZINC000851951399 1136422136 /nfs/dbraw/zinc/42/21/36/1136422136.db2.gz MUJMSAANMMTFJJ-BMFZPTHFSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)n1 ZINC000851951399 1136422138 /nfs/dbraw/zinc/42/21/38/1136422138.db2.gz MUJMSAANMMTFJJ-BMFZPTHFSA-N 1 2 334.435 3.696 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000852016835 1136427775 /nfs/dbraw/zinc/42/77/75/1136427775.db2.gz MJRHVUMLSDRCBZ-ODIFPOPNSA-N 1 2 344.434 3.588 20 0 EHADLO CC1(C)OC[C@H](C[N@@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156771 1136437235 /nfs/dbraw/zinc/43/72/35/1136437235.db2.gz QUYFKJBTLRSZCY-BBRMVZONSA-N 1 2 349.862 3.895 20 0 EHADLO CC1(C)OC[C@H](C[N@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156771 1136437237 /nfs/dbraw/zinc/43/72/37/1136437237.db2.gz QUYFKJBTLRSZCY-BBRMVZONSA-N 1 2 349.862 3.895 20 0 EHADLO CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306125 1136447376 /nfs/dbraw/zinc/44/73/76/1136447376.db2.gz JIAXJUWVRBLREY-AWEZNQCLSA-N 1 2 345.439 3.654 20 0 EHADLO CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306125 1136447378 /nfs/dbraw/zinc/44/73/78/1136447378.db2.gz JIAXJUWVRBLREY-AWEZNQCLSA-N 1 2 345.439 3.654 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CCCC23CCCCC3)C1 ZINC000852424301 1136455371 /nfs/dbraw/zinc/45/53/71/1136455371.db2.gz BSJFWGFXEZBEPP-IAGOWNOFSA-N 1 2 344.503 3.812 20 0 EHADLO CCc1nc(C)c(C[N@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000852450444 1136457171 /nfs/dbraw/zinc/45/71/71/1136457171.db2.gz MMCKVAUQAYYAJQ-UHFFFAOYSA-N 1 2 349.475 3.519 20 0 EHADLO CCc1nc(C)c(C[N@@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000852450444 1136457172 /nfs/dbraw/zinc/45/71/72/1136457172.db2.gz MMCKVAUQAYYAJQ-UHFFFAOYSA-N 1 2 349.475 3.519 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000110631375 1136457338 /nfs/dbraw/zinc/45/73/38/1136457338.db2.gz LZNRSCADABDLMZ-XUVXKRRUSA-N 1 2 345.446 3.624 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000852546778 1136464800 /nfs/dbraw/zinc/46/48/00/1136464800.db2.gz KDWRULWBCHKMOT-MOPGFXCFSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000852546778 1136464803 /nfs/dbraw/zinc/46/48/03/1136464803.db2.gz KDWRULWBCHKMOT-MOPGFXCFSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000852545832 1136465123 /nfs/dbraw/zinc/46/51/23/1136465123.db2.gz QFCCWTYIUDNGFU-HZPDHXFCSA-N 1 2 349.858 3.588 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000852545832 1136465124 /nfs/dbraw/zinc/46/51/24/1136465124.db2.gz QFCCWTYIUDNGFU-HZPDHXFCSA-N 1 2 349.858 3.588 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)no1 ZINC000852733318 1136482587 /nfs/dbraw/zinc/48/25/87/1136482587.db2.gz YNOJKNUUKNLGMC-DLBZAZTESA-N 1 2 337.851 3.523 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1cc(C)c(C)c(C)c1)C[NH2+]C2(C)C ZINC001170756545 1136485531 /nfs/dbraw/zinc/48/55/31/1136485531.db2.gz MWDBZDUUPZNBBZ-UHFFFAOYSA-N 1 2 342.443 3.895 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc2ccccc21 ZINC000815025081 1136542145 /nfs/dbraw/zinc/54/21/45/1136542145.db2.gz QPSKQBOSZPJCKT-NRFANRHFSA-N 1 2 349.430 3.548 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc2ccccc21 ZINC000815025081 1136542148 /nfs/dbraw/zinc/54/21/48/1136542148.db2.gz QPSKQBOSZPJCKT-NRFANRHFSA-N 1 2 349.430 3.548 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)[C@@H]1C1CC1 ZINC000853539021 1136542877 /nfs/dbraw/zinc/54/28/77/1136542877.db2.gz ZVUJNFWPDKQCCE-IAGOWNOFSA-N 1 2 328.456 3.801 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)[C@@H]1C1CC1 ZINC000853539021 1136542880 /nfs/dbraw/zinc/54/28/80/1136542880.db2.gz ZVUJNFWPDKQCCE-IAGOWNOFSA-N 1 2 328.456 3.801 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000853572428 1136545279 /nfs/dbraw/zinc/54/52/79/1136545279.db2.gz SDXPLIZDVZTAJS-GOSISDBHSA-N 1 2 348.874 3.534 20 0 EHADLO COc1cccc(Nc2nn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)c1 ZINC000853581429 1136546228 /nfs/dbraw/zinc/54/62/28/1136546228.db2.gz UZKLHBOVBHJLQA-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO COc1cccc(Nc2nn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)c1 ZINC000853581429 1136546230 /nfs/dbraw/zinc/54/62/30/1136546230.db2.gz UZKLHBOVBHJLQA-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853634082 1136551142 /nfs/dbraw/zinc/55/11/42/1136551142.db2.gz KKIQMXKMWWFCFD-HOCLYGCPSA-N 1 2 343.500 3.625 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853634082 1136551144 /nfs/dbraw/zinc/55/11/44/1136551144.db2.gz KKIQMXKMWWFCFD-HOCLYGCPSA-N 1 2 343.500 3.625 20 0 EHADLO CO[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000815098328 1136555576 /nfs/dbraw/zinc/55/55/76/1136555576.db2.gz FLABATYFFIKDNL-SJORKVTESA-N 1 2 327.428 3.837 20 0 EHADLO CCCc1[nH+]c(C)cc(OCCC2SCCS2)c1C(=O)OC ZINC000853702239 1136557057 /nfs/dbraw/zinc/55/70/57/1136557057.db2.gz WKXXKSYHIWJVID-UHFFFAOYSA-N 1 2 341.498 3.704 20 0 EHADLO Cn1ncc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1Cl ZINC000815137717 1136560628 /nfs/dbraw/zinc/56/06/28/1136560628.db2.gz IXOFNJVUHNEPDT-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)O[C@H]3CC[C@@H](C)C3)c2)cc[nH+]1 ZINC000815233113 1136569645 /nfs/dbraw/zinc/56/96/45/1136569645.db2.gz ZTJUNNGYZOJBOD-DYVFJYSZSA-N 1 2 325.412 3.743 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000854146857 1136592086 /nfs/dbraw/zinc/59/20/86/1136592086.db2.gz JBKNNINUGZLVOD-ZDUSSCGKSA-N 1 2 344.242 3.586 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000815567322 1136611647 /nfs/dbraw/zinc/61/16/47/1136611647.db2.gz ULMVAKOJZDWJTL-YVEFUNNKSA-N 1 2 328.366 3.566 20 0 EHADLO O=C(NOc1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000854537688 1136625063 /nfs/dbraw/zinc/62/50/63/1136625063.db2.gz YVYIIUOZQMTJIO-MRXNPFEDSA-N 1 2 339.439 3.603 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001135221323 1136638672 /nfs/dbraw/zinc/63/86/72/1136638672.db2.gz RBGOBSYWKKLWPL-ULQDDVLXSA-N 1 2 329.488 3.780 20 0 EHADLO O=C(N[C@H]1CCCc2occc21)c1c[nH+]ccc1Nc1ccccc1 ZINC001135224227 1136639529 /nfs/dbraw/zinc/63/95/29/1136639529.db2.gz ZHKQYISATBMAPB-KRWDZBQOSA-N 1 2 333.391 3.648 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c(=O)c2ccccc12 ZINC000112694759 1136647441 /nfs/dbraw/zinc/64/74/41/1136647441.db2.gz BGYDXZDCJCAFLM-FQEVSTJZSA-N 1 2 335.451 3.992 20 0 EHADLO Cc1nn(C[N@H+](C)[C@H](c2ccccc2)C(C)C)c(=O)c2ccccc12 ZINC000112694759 1136647443 /nfs/dbraw/zinc/64/74/43/1136647443.db2.gz BGYDXZDCJCAFLM-FQEVSTJZSA-N 1 2 335.451 3.992 20 0 EHADLO COC[C@H]1CCC[N@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000112961782 1136665332 /nfs/dbraw/zinc/66/53/32/1136665332.db2.gz MRLFYNFQZRKTTH-LBPRGKRZSA-N 1 2 339.892 3.679 20 0 EHADLO COC[C@H]1CCC[N@@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000112961782 1136665334 /nfs/dbraw/zinc/66/53/34/1136665334.db2.gz MRLFYNFQZRKTTH-LBPRGKRZSA-N 1 2 339.892 3.679 20 0 EHADLO C[C@H](CCC(C)(C)C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381560 1136673981 /nfs/dbraw/zinc/67/39/81/1136673981.db2.gz JHXQVDDJNOXNKK-GOSISDBHSA-N 1 2 346.515 3.672 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCCOCC1 ZINC001170824815 1136718744 /nfs/dbraw/zinc/71/87/44/1136718744.db2.gz YFJIBQHSMYJUIT-AEFFLSMTSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCCOCC1 ZINC001170824815 1136718747 /nfs/dbraw/zinc/71/87/47/1136718747.db2.gz YFJIBQHSMYJUIT-AEFFLSMTSA-N 1 2 347.503 3.536 20 0 EHADLO CC(C)c1sc(NC(=O)Cc2[nH]cc[nH+]2)nc1-c1ccccc1 ZINC000816870930 1136760058 /nfs/dbraw/zinc/76/00/58/1136760058.db2.gz ULSDMNXNEPCWLM-UHFFFAOYSA-N 1 2 326.425 3.838 20 0 EHADLO COCc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000816974100 1136768985 /nfs/dbraw/zinc/76/89/85/1136768985.db2.gz REEYNVRNILWFTE-SFHVURJKSA-N 1 2 335.407 3.717 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000817274187 1136792831 /nfs/dbraw/zinc/79/28/31/1136792831.db2.gz FPDFUGOJFGOCFQ-CZUORRHYSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000817274187 1136792833 /nfs/dbraw/zinc/79/28/33/1136792833.db2.gz FPDFUGOJFGOCFQ-CZUORRHYSA-N 1 2 337.851 3.535 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001135881193 1136797460 /nfs/dbraw/zinc/79/74/60/1136797460.db2.gz LAMWQRUXADDLMU-LLVKDONJSA-N 1 2 340.267 3.757 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001135881193 1136797464 /nfs/dbraw/zinc/79/74/64/1136797464.db2.gz LAMWQRUXADDLMU-LLVKDONJSA-N 1 2 340.267 3.757 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)nn1C ZINC000817406544 1136804943 /nfs/dbraw/zinc/80/49/43/1136804943.db2.gz NJPGLZYHKLDMDI-TZMCWYRMSA-N 1 2 339.892 3.532 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)nn1C ZINC000817406544 1136804947 /nfs/dbraw/zinc/80/49/47/1136804947.db2.gz NJPGLZYHKLDMDI-TZMCWYRMSA-N 1 2 339.892 3.532 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001135920948 1136808403 /nfs/dbraw/zinc/80/84/03/1136808403.db2.gz BVKPBFZTHHPNMD-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO O=C(OCc1cnc(-c2ccccc2)s1)c1cccc2[nH+]ccn21 ZINC000776897413 1136809999 /nfs/dbraw/zinc/80/99/99/1136809999.db2.gz WILRQYLLXSBLAY-UHFFFAOYSA-N 1 2 335.388 3.815 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@H]1CC1(Cl)Cl ZINC000856784161 1136811393 /nfs/dbraw/zinc/81/13/93/1136811393.db2.gz AFJZBRRQGXGTGN-VIFPVBQESA-N 1 2 328.247 3.577 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2c(Cl)ccc(F)c21 ZINC000776900040 1136819143 /nfs/dbraw/zinc/81/91/43/1136819143.db2.gz OVFUECMIFKGPNC-UHFFFAOYSA-N 1 2 329.762 3.720 20 0 EHADLO Fc1ccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)nc1 ZINC000817578290 1136822545 /nfs/dbraw/zinc/82/25/45/1136822545.db2.gz JSOCCDQDTMLFFJ-LBPRGKRZSA-N 1 2 342.237 3.681 20 0 EHADLO Fc1cccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)n1 ZINC000817580007 1136823646 /nfs/dbraw/zinc/82/36/46/1136823646.db2.gz GHWXVAPHDAYUNO-GFCCVEGCSA-N 1 2 342.237 3.681 20 0 EHADLO Cc1cc(CNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc(C)[nH+]1 ZINC000817619835 1136830066 /nfs/dbraw/zinc/83/00/66/1136830066.db2.gz XWCDCKGKAXUSDL-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(\C)c2cccs2)c1C ZINC000857086158 1136843050 /nfs/dbraw/zinc/84/30/50/1136843050.db2.gz MAUKTBSSODBMKI-FMIVXFBMSA-N 1 2 330.453 3.830 20 0 EHADLO C[C@H]1SCCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1c1ccccc1 ZINC000776934764 1136863817 /nfs/dbraw/zinc/86/38/17/1136863817.db2.gz JBBLRAWIYRMVKK-KDOFPFPSSA-N 1 2 337.448 3.653 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4CCO[C@H](C)C4)cc3)C[C@H]2C1 ZINC000818337300 1136871556 /nfs/dbraw/zinc/87/15/56/1136871556.db2.gz IWNKWVQHCRYVSS-KRHOMKONSA-N 1 2 330.472 3.527 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)C[C@H]2C1 ZINC000818337650 1136871910 /nfs/dbraw/zinc/87/19/10/1136871910.db2.gz NFWDJHJIWXKFGH-PDDDQHAHSA-N 1 2 344.499 3.916 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)s1 ZINC000818355025 1136875309 /nfs/dbraw/zinc/87/53/09/1136875309.db2.gz AETRYJRNRXJWCS-QWHCGFSZSA-N 1 2 348.468 3.967 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513655 1136903121 /nfs/dbraw/zinc/90/31/21/1136903121.db2.gz QLSJQKGPNWEHCS-UHFFFAOYSA-N 1 2 346.475 3.837 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513655 1136903126 /nfs/dbraw/zinc/90/31/26/1136903126.db2.gz QLSJQKGPNWEHCS-UHFFFAOYSA-N 1 2 346.475 3.837 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)on1 ZINC000339007428 1136909551 /nfs/dbraw/zinc/90/95/51/1136909551.db2.gz PRKPXTCPIWFMFB-CJNGLKHVSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)on1 ZINC000339007428 1136909552 /nfs/dbraw/zinc/90/95/52/1136909552.db2.gz PRKPXTCPIWFMFB-CJNGLKHVSA-N 1 2 347.846 3.651 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000857976605 1136926894 /nfs/dbraw/zinc/92/68/94/1136926894.db2.gz HSPBVTYBBDFFPE-AWEZNQCLSA-N 1 2 349.356 3.585 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857982849 1136926996 /nfs/dbraw/zinc/92/69/96/1136926996.db2.gz MUTWOFDCWUXGBI-PMACEKPBSA-N 1 2 345.446 3.861 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983374 1136927211 /nfs/dbraw/zinc/92/72/11/1136927211.db2.gz QLWIAUKWTSBWRM-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984406 1136927436 /nfs/dbraw/zinc/92/74/36/1136927436.db2.gz ZTCKDHJENZMNQH-OIOXUXFSSA-N 1 2 335.329 3.566 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858016226 1136931645 /nfs/dbraw/zinc/93/16/45/1136931645.db2.gz BVVBHTZEBNETJT-KRWDZBQOSA-N 1 2 327.428 3.553 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858016226 1136931646 /nfs/dbraw/zinc/93/16/46/1136931646.db2.gz BVVBHTZEBNETJT-KRWDZBQOSA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858017258 1136932165 /nfs/dbraw/zinc/93/21/65/1136932165.db2.gz WGLVBVIGUJMMDE-MRXNPFEDSA-N 1 2 342.443 3.509 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858017258 1136932167 /nfs/dbraw/zinc/93/21/67/1136932167.db2.gz WGLVBVIGUJMMDE-MRXNPFEDSA-N 1 2 342.443 3.509 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037944 1136934202 /nfs/dbraw/zinc/93/42/02/1136934202.db2.gz XTDGIVHWDBQICN-LSDHHAIUSA-N 1 2 329.444 3.890 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037944 1136934204 /nfs/dbraw/zinc/93/42/04/1136934204.db2.gz XTDGIVHWDBQICN-LSDHHAIUSA-N 1 2 329.444 3.890 20 0 EHADLO Cc1cc(NC[C@H](O)COCc2ccccc2Cl)ccc1[NH+](C)C ZINC000819407789 1136936811 /nfs/dbraw/zinc/93/68/11/1136936811.db2.gz BQXSKYGVTPGAJX-KRWDZBQOSA-N 1 2 348.874 3.704 20 0 EHADLO O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc2[nH+]ccn21 ZINC000777005109 1136944015 /nfs/dbraw/zinc/94/40/15/1136944015.db2.gz MTCVVCPITFOZJE-AWEZNQCLSA-N 1 2 325.334 3.575 20 0 EHADLO O=C(NCc1nc(-c2ccccc2)cs1)c1cc2c[nH+]ccc2[nH]1 ZINC001136298891 1136973175 /nfs/dbraw/zinc/97/31/75/1136973175.db2.gz KVOPRMUFCMNGMY-UHFFFAOYSA-N 1 2 334.404 3.616 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCc3ccc(Cl)cc32)cc(C)[nH+]1 ZINC000858549007 1136977923 /nfs/dbraw/zinc/97/79/23/1136977923.db2.gz ZEJVJQLBHURZDQ-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000858727864 1136989296 /nfs/dbraw/zinc/98/92/96/1136989296.db2.gz RDTRLVBRKANJLS-GUDVDZBRSA-N 1 2 339.483 3.998 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc(SC)s2)c1C ZINC000858928359 1136997330 /nfs/dbraw/zinc/99/73/30/1136997330.db2.gz VBFUSWJNMQEVHK-FNORWQNLSA-N 1 2 348.493 3.820 20 0 EHADLO CCCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000859654053 1137024670 /nfs/dbraw/zinc/02/46/70/1137024670.db2.gz HNWYCAMAVYOVNG-KRWDZBQOSA-N 1 2 346.862 3.550 20 0 EHADLO CCCn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000859654053 1137024672 /nfs/dbraw/zinc/02/46/72/1137024672.db2.gz HNWYCAMAVYOVNG-KRWDZBQOSA-N 1 2 346.862 3.550 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3nonc3c1)[C@H]2c1ccccc1 ZINC000821392203 1137025169 /nfs/dbraw/zinc/02/51/69/1137025169.db2.gz VXUQCYIGWYFYOR-FQEVSTJZSA-N 1 2 330.391 3.630 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3nonc3c1)[C@H]2c1ccccc1 ZINC000821392203 1137025171 /nfs/dbraw/zinc/02/51/71/1137025171.db2.gz VXUQCYIGWYFYOR-FQEVSTJZSA-N 1 2 330.391 3.630 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H]3CCC34CCC4)CC2)cs1 ZINC000821804140 1137039018 /nfs/dbraw/zinc/03/90/18/1137039018.db2.gz IDOPBZGDPOKTSE-INIZCTEOSA-N 1 2 334.485 3.539 20 0 EHADLO COc1cccc([C@H](O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)c1 ZINC000860139540 1137046029 /nfs/dbraw/zinc/04/60/29/1137046029.db2.gz VSEOVSLLFLXOKD-SCOADAFUSA-N 1 2 330.255 3.760 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cnc(CCC(F)(F)F)s2)c[nH+]1 ZINC000822012711 1137047098 /nfs/dbraw/zinc/04/70/98/1137047098.db2.gz QEMHIBQSBSJKMJ-UHFFFAOYSA-N 1 2 343.374 3.580 20 0 EHADLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(Cl)cc2F)C1 ZINC001137661192 1137059442 /nfs/dbraw/zinc/05/94/42/1137059442.db2.gz JDKHSERHBYCMLG-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO CCCCC[C@H](O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000822533804 1137062812 /nfs/dbraw/zinc/06/28/12/1137062812.db2.gz MVHJCZLVHVRJOG-SFHVURJKSA-N 1 2 341.455 3.766 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000822700340 1137071055 /nfs/dbraw/zinc/07/10/55/1137071055.db2.gz LPJJJYNLSDRUGY-QGZVFWFLSA-N 1 2 331.419 3.973 20 0 EHADLO CCOc1nc(C)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136624726 1137072748 /nfs/dbraw/zinc/07/27/48/1137072748.db2.gz HIBFPSRUFALJLR-UHFFFAOYSA-N 1 2 336.395 3.535 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H]1CCc2cccc(F)c2C1 ZINC001171005003 1137086402 /nfs/dbraw/zinc/08/64/02/1137086402.db2.gz KWFKQVDQFLQLIL-INIZCTEOSA-N 1 2 347.455 3.810 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CCc2cccc(F)c2C1 ZINC001171005003 1137086404 /nfs/dbraw/zinc/08/64/04/1137086404.db2.gz KWFKQVDQFLQLIL-INIZCTEOSA-N 1 2 347.455 3.810 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001137662315 1137092150 /nfs/dbraw/zinc/09/21/50/1137092150.db2.gz PVYHOTKYBSCMBR-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001137662315 1137092152 /nfs/dbraw/zinc/09/21/52/1137092152.db2.gz PVYHOTKYBSCMBR-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC000823382209 1137097363 /nfs/dbraw/zinc/09/73/63/1137097363.db2.gz VCUCVLJQNYIWHR-XQLPTFJDSA-N 1 2 349.475 3.875 20 0 EHADLO C[C@H](CCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823392862 1137097785 /nfs/dbraw/zinc/09/77/85/1137097785.db2.gz DZFBBTZSNXLZQA-HIFRSBDPSA-N 1 2 345.443 3.538 20 0 EHADLO C[C@@H](CCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823392865 1137097817 /nfs/dbraw/zinc/09/78/17/1137097817.db2.gz DZFBBTZSNXLZQA-ZFWWWQNUSA-N 1 2 345.443 3.538 20 0 EHADLO CC[C@H](C)c1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823394441 1137098045 /nfs/dbraw/zinc/09/80/45/1137098045.db2.gz ZTIVLWMDCYTSIP-WFASDCNBSA-N 1 2 345.443 3.982 20 0 EHADLO CC(C)Cc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823398045 1137098101 /nfs/dbraw/zinc/09/81/01/1137098101.db2.gz WBPGIQHZRHXIRW-HNNXBMFYSA-N 1 2 345.443 3.667 20 0 EHADLO COC(=O)[C@@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(F)(F)F ZINC001171016555 1137100091 /nfs/dbraw/zinc/10/00/91/1137100091.db2.gz YRNHGQZYLLPIMP-CQSZACIVSA-N 1 2 349.312 3.746 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729007 1137102498 /nfs/dbraw/zinc/10/24/98/1137102498.db2.gz PEAUCDFGSLFFHX-NUWRZHGESA-N 1 2 326.484 3.526 20 0 EHADLO O=C(OCc1cnc(C2CC2)o1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000861375590 1137103497 /nfs/dbraw/zinc/10/34/97/1137103497.db2.gz IXHRFESKBSNLKN-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1cnc(C2CC2)o1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000861375590 1137103498 /nfs/dbraw/zinc/10/34/98/1137103498.db2.gz IXHRFESKBSNLKN-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C(F)(F)C(F)F ZINC000823769866 1137113383 /nfs/dbraw/zinc/11/33/83/1137113383.db2.gz ICRXZWVLHUMLQB-UHFFFAOYSA-N 1 2 341.308 3.725 20 0 EHADLO Cn1c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)nc2cc(F)ccc21 ZINC000823937793 1137120022 /nfs/dbraw/zinc/12/00/22/1137120022.db2.gz JZXCMWGPVKCSSC-GFCCVEGCSA-N 1 2 349.331 3.907 20 0 EHADLO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](CCCF)CC1 ZINC000862111102 1137129384 /nfs/dbraw/zinc/12/93/84/1137129384.db2.gz ANLKKLMKCNXIIT-UHFFFAOYSA-N 1 2 340.851 3.672 20 0 EHADLO Fc1c(Cl)nccc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000824333037 1137132616 /nfs/dbraw/zinc/13/26/16/1137132616.db2.gz RVNNWUFCJZTJKY-UHFFFAOYSA-N 1 2 349.715 3.500 20 0 EHADLO CC(=O)c1ccc([C@H](C)Nc2ccc(-n3c[nH+]c(C)c3C)nn2)cc1 ZINC001171053463 1137135883 /nfs/dbraw/zinc/13/58/83/1137135883.db2.gz JCTXCTVDGNJJMZ-ZDUSSCGKSA-N 1 2 335.411 3.655 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+]Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000824522339 1137140926 /nfs/dbraw/zinc/14/09/26/1137140926.db2.gz UUVRGFHLELCGIS-LJQANCHMSA-N 1 2 347.466 3.656 20 0 EHADLO c1ccc2sc(C[N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)nc2c1 ZINC001136956412 1137156755 /nfs/dbraw/zinc/15/67/55/1137156755.db2.gz QZAFOOXJDWVDGM-SFHVURJKSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)nc2c1 ZINC001136956412 1137156757 /nfs/dbraw/zinc/15/67/57/1137156757.db2.gz QZAFOOXJDWVDGM-SFHVURJKSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(CN3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)nc2c1 ZINC001136956412 1137156758 /nfs/dbraw/zinc/15/67/58/1137156758.db2.gz QZAFOOXJDWVDGM-SFHVURJKSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(CN3CC[N@H+]4CCc5ccccc5[C@@H]4C3)nc2c1 ZINC001136956412 1137156760 /nfs/dbraw/zinc/15/67/60/1137156760.db2.gz QZAFOOXJDWVDGM-SFHVURJKSA-N 1 2 335.476 3.711 20 0 EHADLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136987353 1137165045 /nfs/dbraw/zinc/16/50/45/1137165045.db2.gz VEXGMHHTWXCRFU-UHFFFAOYSA-N 1 2 347.434 3.796 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ncc(C2OCCO2)s1 ZINC000825215798 1137169060 /nfs/dbraw/zinc/16/90/60/1137169060.db2.gz WPZJHOCHFIPARN-HNNXBMFYSA-N 1 2 348.443 3.973 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ncc(C2OCCO2)s1 ZINC000825215798 1137169061 /nfs/dbraw/zinc/16/90/61/1137169061.db2.gz WPZJHOCHFIPARN-HNNXBMFYSA-N 1 2 348.443 3.973 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CCC2(C)C)c(Br)c1 ZINC001171078861 1137170904 /nfs/dbraw/zinc/17/09/04/1137170904.db2.gz SYCSCXFQQFKMGV-GFCCVEGCSA-N 1 2 339.277 3.959 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CCC2(C)C)c(Br)c1 ZINC001171078861 1137170906 /nfs/dbraw/zinc/17/09/06/1137170906.db2.gz SYCSCXFQQFKMGV-GFCCVEGCSA-N 1 2 339.277 3.959 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000863255359 1137178072 /nfs/dbraw/zinc/17/80/72/1137178072.db2.gz CYEBCWBQBDVVAT-QGZVFWFLSA-N 1 2 328.437 3.864 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000863255359 1137178074 /nfs/dbraw/zinc/17/80/74/1137178074.db2.gz CYEBCWBQBDVVAT-QGZVFWFLSA-N 1 2 328.437 3.864 20 0 EHADLO CC(C)C[C@@H](C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC000825481713 1137181153 /nfs/dbraw/zinc/18/11/53/1137181153.db2.gz KZRRIIKIBQLUTO-ZNMIVQPWSA-N 1 2 343.393 3.731 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143628333 1137184209 /nfs/dbraw/zinc/18/42/09/1137184209.db2.gz GRUWIRVJQINKGK-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143628333 1137184210 /nfs/dbraw/zinc/18/42/10/1137184210.db2.gz GRUWIRVJQINKGK-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143626001 1137185875 /nfs/dbraw/zinc/18/58/75/1137185875.db2.gz CUZUWXNCXLASIN-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143626001 1137185876 /nfs/dbraw/zinc/18/58/76/1137185876.db2.gz CUZUWXNCXLASIN-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO Cc1cc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000339056517 1137187904 /nfs/dbraw/zinc/18/79/04/1137187904.db2.gz OEMDRDLTQQPHQN-GOSISDBHSA-N 1 2 341.430 3.987 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000863618455 1137195132 /nfs/dbraw/zinc/19/51/32/1137195132.db2.gz QRVPRDACMBVVBT-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000119584646 1137199007 /nfs/dbraw/zinc/19/90/07/1137199007.db2.gz VVMRKDNDPZITOM-AWEZNQCLSA-N 1 2 336.530 3.716 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000119584646 1137199008 /nfs/dbraw/zinc/19/90/08/1137199008.db2.gz VVMRKDNDPZITOM-AWEZNQCLSA-N 1 2 336.530 3.716 20 0 EHADLO C[C@@H]1Cc2cc(-c3ccc(NCCCn4cc[nH+]c4)nc3)ccc2O1 ZINC000863679074 1137199223 /nfs/dbraw/zinc/19/92/23/1137199223.db2.gz NDOKVKMLYXLNDL-OAHLLOKOSA-N 1 2 334.423 3.771 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1csc2ccccc21 ZINC000844132283 1137200340 /nfs/dbraw/zinc/20/03/40/1137200340.db2.gz FVJMKMRGZUYCNQ-CHWSQXEVSA-N 1 2 325.437 3.538 20 0 EHADLO C/C(=C/Cl)CSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000797811156 1137201185 /nfs/dbraw/zinc/20/11/85/1137201185.db2.gz BORMLRFEBGUVFH-WDZFZDKYSA-N 1 2 345.921 3.553 20 0 EHADLO COCCC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143819086 1137201219 /nfs/dbraw/zinc/20/12/19/1137201219.db2.gz YBOBQZBEQRYALD-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)CC2)c1F ZINC001143837210 1137204436 /nfs/dbraw/zinc/20/44/36/1137204436.db2.gz MNEKANWKAIRSHN-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C(=O)OC)CC2)c1F ZINC001143837210 1137204438 /nfs/dbraw/zinc/20/44/38/1137204438.db2.gz MNEKANWKAIRSHN-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001143886527 1137209965 /nfs/dbraw/zinc/20/99/65/1137209965.db2.gz VIUPKOZZVDZFNL-UHFFFAOYSA-N 1 2 341.814 3.669 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001143886527 1137209966 /nfs/dbraw/zinc/20/99/66/1137209966.db2.gz VIUPKOZZVDZFNL-UHFFFAOYSA-N 1 2 341.814 3.669 20 0 EHADLO Cc1c(C[NH+]2CCN(c3nccs3)CC2)cccc1C(F)(F)F ZINC001143922013 1137215187 /nfs/dbraw/zinc/21/51/87/1137215187.db2.gz GMKLQVURTNCUQK-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143937662 1137216124 /nfs/dbraw/zinc/21/61/24/1137216124.db2.gz VLULAGYLOITLFN-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143937662 1137216125 /nfs/dbraw/zinc/21/61/25/1137216125.db2.gz VLULAGYLOITLFN-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO Cc1cc(NC(=O)c2cccc3c2O[C@@H](C)C3)ccc1-n1cc[nH+]c1 ZINC001143940077 1137216622 /nfs/dbraw/zinc/21/66/22/1137216622.db2.gz SSPPXTJILHMHSY-AWEZNQCLSA-N 1 2 333.391 3.756 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143931396 1137217852 /nfs/dbraw/zinc/21/78/52/1137217852.db2.gz SEVRQJRRBXCRDZ-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143931396 1137217853 /nfs/dbraw/zinc/21/78/53/1137217853.db2.gz SEVRQJRRBXCRDZ-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO O[C@]1(c2ccc(Cl)cc2)CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000844379444 1137218448 /nfs/dbraw/zinc/21/84/48/1137218448.db2.gz DHKZPZZHDJADQW-QGZVFWFLSA-N 1 2 349.887 3.553 20 0 EHADLO O[C@]1(c2ccc(Cl)cc2)CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000844379444 1137218450 /nfs/dbraw/zinc/21/84/50/1137218450.db2.gz DHKZPZZHDJADQW-QGZVFWFLSA-N 1 2 349.887 3.553 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3c(Cl)ccc(F)c3F)CC2)c1 ZINC001143958901 1137218888 /nfs/dbraw/zinc/21/88/88/1137218888.db2.gz SYULRPMWJFFRML-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1F ZINC001143984319 1137220883 /nfs/dbraw/zinc/22/08/83/1137220883.db2.gz SUDRTIJUMDGEAX-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449754 1137221270 /nfs/dbraw/zinc/22/12/70/1137221270.db2.gz DRYRIGSDMCGRLD-KSZLIROESA-N 1 2 342.389 3.872 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449754 1137221271 /nfs/dbraw/zinc/22/12/71/1137221271.db2.gz DRYRIGSDMCGRLD-KSZLIROESA-N 1 2 342.389 3.872 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001143976565 1137222788 /nfs/dbraw/zinc/22/27/88/1137222788.db2.gz IGVGQNJFPAVBIP-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001143976565 1137222790 /nfs/dbraw/zinc/22/27/90/1137222790.db2.gz IGVGQNJFPAVBIP-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)c(C)c1 ZINC000844461351 1137226006 /nfs/dbraw/zinc/22/60/06/1137226006.db2.gz CODMOMHIONHYQB-IFXJQAMLSA-N 1 2 328.412 3.846 20 0 EHADLO O=C1N[C@H](Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)c2ccccc21 ZINC001171126376 1137226574 /nfs/dbraw/zinc/22/65/74/1137226574.db2.gz KWGGHMNGTDAHBF-FQEVSTJZSA-N 1 2 340.386 3.880 20 0 EHADLO Cc1c(O)cccc1C[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001144120797 1137240832 /nfs/dbraw/zinc/24/08/32/1137240832.db2.gz URZVGSGWULVSRL-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\CCc2ccccc2)c1C ZINC000865051019 1137260603 /nfs/dbraw/zinc/26/06/03/1137260603.db2.gz HFRDRGMYTONDNP-LCYFTJDESA-N 1 2 338.451 3.854 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)csc2s1 ZINC000865066868 1137261239 /nfs/dbraw/zinc/26/12/39/1137261239.db2.gz WLALMRZPHFGTJX-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865067682 1137261242 /nfs/dbraw/zinc/26/12/42/1137261242.db2.gz WWEHZJGMPZMAKP-UHFFFAOYSA-N 1 2 345.346 3.565 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865067204 1137261306 /nfs/dbraw/zinc/26/13/06/1137261306.db2.gz OWJMPKZCTFZTNW-UHFFFAOYSA-N 1 2 346.843 3.624 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C=C/C2CCCCCC2)n1 ZINC000844922807 1137263030 /nfs/dbraw/zinc/26/30/30/1137263030.db2.gz GMIJPESGLSRKCC-VNDWYCCKSA-N 1 2 335.448 3.785 20 0 EHADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865102715 1137263077 /nfs/dbraw/zinc/26/30/77/1137263077.db2.gz GGRZVPMZVCLZNX-WAYWQWQTSA-N 1 2 348.512 3.713 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158375 1137265814 /nfs/dbraw/zinc/26/58/14/1137265814.db2.gz JMLXLVJPSWFDMA-ZPIQOJFGSA-N 1 2 349.356 3.779 20 0 EHADLO c1oc(C2CC2)nc1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000865283022 1137273955 /nfs/dbraw/zinc/27/39/55/1137273955.db2.gz HNRFCBQMFUFMGM-UHFFFAOYSA-N 1 2 344.480 3.818 20 0 EHADLO CC(C)(C)c1cn(CC(=O)Nc2ccc(N3CCCCC3)cc2)c[nH+]1 ZINC000865375098 1137278449 /nfs/dbraw/zinc/27/84/49/1137278449.db2.gz OIECBBZJGAXVRQ-UHFFFAOYSA-N 1 2 340.471 3.810 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3nccc4ccccc43)CC2)sc1C ZINC001144369423 1137279775 /nfs/dbraw/zinc/27/97/75/1137279775.db2.gz DJVCYBNZAXYFTP-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO Cc1c2ccccc2sc1C(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277445 1137283161 /nfs/dbraw/zinc/28/31/61/1137283161.db2.gz MVRHAXPNWCRYNR-LBPRGKRZSA-N 1 2 342.420 3.783 20 0 EHADLO C[C@H](CC(=O)OCc1cccc(OCC(F)(F)F)c1)n1cc[nH+]c1 ZINC000845282233 1137283214 /nfs/dbraw/zinc/28/32/14/1137283214.db2.gz QRRSQHIHDOEDTK-GFCCVEGCSA-N 1 2 342.317 3.519 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)n1 ZINC000865434126 1137283244 /nfs/dbraw/zinc/28/32/44/1137283244.db2.gz XRDJRKALNBVGNS-UHFFFAOYSA-N 1 2 343.496 3.623 20 0 EHADLO C[C@H](CC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1)n1cc[nH+]c1 ZINC000845281063 1137283282 /nfs/dbraw/zinc/28/32/82/1137283282.db2.gz YXDAAVANKMKUJS-CQSZACIVSA-N 1 2 328.412 3.558 20 0 EHADLO C[C@H](CC(=O)OCc1csc(-c2ccsc2)n1)n1cc[nH+]c1 ZINC000845281624 1137283289 /nfs/dbraw/zinc/28/32/89/1137283289.db2.gz MJKIYDWRRWUXQX-LLVKDONJSA-N 1 2 333.438 3.763 20 0 EHADLO Cc1oc(-c2ccccc2)nc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278576 1137283372 /nfs/dbraw/zinc/28/33/72/1137283372.db2.gz URDULHDDTFIPJT-ZDUSSCGKSA-N 1 2 325.368 3.541 20 0 EHADLO Cc1oc(-c2ccsc2)nc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280462 1137283395 /nfs/dbraw/zinc/28/33/95/1137283395.db2.gz FWAJOWNIMWIJMR-NSHDSACASA-N 1 2 331.397 3.603 20 0 EHADLO CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000845283154 1137283580 /nfs/dbraw/zinc/28/35/80/1137283580.db2.gz UBEVTSSGTMPKON-SWLSCSKDSA-N 1 2 334.803 3.692 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc3c(F)cccc3c2)cs1 ZINC000865488200 1137288016 /nfs/dbraw/zinc/28/80/16/1137288016.db2.gz XECMKIWXHLYFCB-NSHDSACASA-N 1 2 331.416 3.828 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2nccc(C)c2Br)c1 ZINC000865507753 1137290075 /nfs/dbraw/zinc/29/00/75/1137290075.db2.gz AMNYIWMDBLYWMM-UHFFFAOYSA-N 1 2 335.245 3.759 20 0 EHADLO CN(c1ccc(Nc2cc3c(cc2N)OCO3)c[nH+]1)C1CCCCC1 ZINC001212614210 1137293652 /nfs/dbraw/zinc/29/36/52/1137293652.db2.gz IODUAUGEYHAUNT-UHFFFAOYSA-N 1 2 340.427 3.905 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000845469297 1137293870 /nfs/dbraw/zinc/29/38/70/1137293870.db2.gz SKCQXSJVNSIGCV-QWRGUYRKSA-N 1 2 332.791 3.668 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001144479353 1137297951 /nfs/dbraw/zinc/29/79/51/1137297951.db2.gz UMBNAFHMASFSOF-CQSZACIVSA-N 1 2 341.835 3.875 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001144479353 1137297952 /nfs/dbraw/zinc/29/79/52/1137297952.db2.gz UMBNAFHMASFSOF-CQSZACIVSA-N 1 2 341.835 3.875 20 0 EHADLO CC[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccnc(Cl)c1 ZINC000845567111 1137298207 /nfs/dbraw/zinc/29/82/07/1137298207.db2.gz LRBVELXXURIZBJ-AWEZNQCLSA-N 1 2 333.819 3.505 20 0 EHADLO COC1([C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C2CCCCC2)CCC1 ZINC000845574593 1137298894 /nfs/dbraw/zinc/29/88/94/1137298894.db2.gz MWRCJQPTIABGHB-QAPCUYQASA-N 1 2 334.460 3.895 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1OCc1ccccc1 ZINC001144493615 1137300517 /nfs/dbraw/zinc/30/05/17/1137300517.db2.gz ABXSAQTUXYIXMU-UHFFFAOYSA-N 1 2 339.435 3.829 20 0 EHADLO COc1ccc(C[N@H+]2CCCC(=O)CC2)cc1OCc1ccccc1 ZINC001144493615 1137300519 /nfs/dbraw/zinc/30/05/19/1137300519.db2.gz ABXSAQTUXYIXMU-UHFFFAOYSA-N 1 2 339.435 3.829 20 0 EHADLO CN(c1ccc(Nc2ccc3c(c2)C(=O)NC3)c[nH+]1)C1CCCCC1 ZINC001212614882 1137301159 /nfs/dbraw/zinc/30/11/59/1137301159.db2.gz ZUTKDJKNPDPVNP-UHFFFAOYSA-N 1 2 336.439 3.838 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000865677365 1137303979 /nfs/dbraw/zinc/30/39/79/1137303979.db2.gz WZELUWIBENJSFG-JKSUJKDBSA-N 1 2 331.847 3.696 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000120744966 1137312203 /nfs/dbraw/zinc/31/22/03/1137312203.db2.gz BFPWUKYRJSLIBY-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000120744966 1137312204 /nfs/dbraw/zinc/31/22/04/1137312204.db2.gz BFPWUKYRJSLIBY-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CCc1cc2c(CC(=O)NCCCCn3cc[nH+]c3)csc2s1 ZINC000865805285 1137313222 /nfs/dbraw/zinc/31/32/22/1137313222.db2.gz XRHMCKRQLXPDEC-UHFFFAOYSA-N 1 2 347.509 3.861 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1noc2cc(F)ccc21 ZINC000865836937 1137315552 /nfs/dbraw/zinc/31/55/52/1137315552.db2.gz YGBSEFCFTLQZQF-UHFFFAOYSA-N 1 2 336.798 3.767 20 0 EHADLO C[C@H]([NH2+]Cc1oc2ccccc2c1Br)c1ccnn1C ZINC000865837227 1137315668 /nfs/dbraw/zinc/31/56/68/1137315668.db2.gz BLEHBRQIJGREPV-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO c1[nH+]c(CN2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c2ccccn12 ZINC001144618505 1137318796 /nfs/dbraw/zinc/31/87/96/1137318796.db2.gz UUEVNNRLXSIVQU-UGKGYDQZSA-N 1 2 347.462 3.873 20 0 EHADLO COc1cccc2c(NCc3nn(C)cc3C(F)F)c(C)c[nH+]c12 ZINC000866193464 1137334609 /nfs/dbraw/zinc/33/46/09/1137334609.db2.gz MVDDPAXIWZMYEA-UHFFFAOYSA-N 1 2 332.354 3.835 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866220864 1137335994 /nfs/dbraw/zinc/33/59/94/1137335994.db2.gz LETAILNMXCEATR-MJGOQNOKSA-N 1 2 342.414 3.843 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1ccc(C2CC2)cc1 ZINC001144720864 1137338298 /nfs/dbraw/zinc/33/82/98/1137338298.db2.gz OJNGKEOBENWPKX-UHFFFAOYSA-N 1 2 345.446 3.951 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2OC)C1 ZINC001144754030 1137342776 /nfs/dbraw/zinc/34/27/76/1137342776.db2.gz AXEPMZOKTMLIBX-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2OC)C1 ZINC001144754030 1137342778 /nfs/dbraw/zinc/34/27/78/1137342778.db2.gz AXEPMZOKTMLIBX-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ncc[nH]1 ZINC000846210444 1137343341 /nfs/dbraw/zinc/34/33/41/1137343341.db2.gz YEDIZYPPUJMGKT-RCBQFDQVSA-N 1 2 327.428 3.631 20 0 EHADLO C[C@H](CCc1cccnc1)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000866334148 1137346382 /nfs/dbraw/zinc/34/63/82/1137346382.db2.gz TZGSXJBHKAVWTN-IAGOWNOFSA-N 1 2 325.456 3.740 20 0 EHADLO c1cc2cccc3c2c(c1)CC[C@H]3[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000866384941 1137350820 /nfs/dbraw/zinc/35/08/20/1137350820.db2.gz PQJTZSSBGJHNPK-IAGOWNOFSA-N 1 2 334.423 3.587 20 0 EHADLO CC(C)(CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000866419583 1137353370 /nfs/dbraw/zinc/35/33/70/1137353370.db2.gz FBCJXWDSTZBOGV-UHFFFAOYSA-N 1 2 329.419 3.623 20 0 EHADLO CC(C)(CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000866419583 1137353372 /nfs/dbraw/zinc/35/33/72/1137353372.db2.gz FBCJXWDSTZBOGV-UHFFFAOYSA-N 1 2 329.419 3.623 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000846481781 1137353632 /nfs/dbraw/zinc/35/36/32/1137353632.db2.gz NGKXZPYLGYVOIE-INIZCTEOSA-N 1 2 340.471 3.711 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc2[nH]c(=O)oc2c1 ZINC000866484967 1137358589 /nfs/dbraw/zinc/35/85/89/1137358589.db2.gz BWMCJZGRTMLTFA-GDKCJGSASA-N 1 2 328.343 3.656 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2noc3ccc(F)cc23)cc1OC ZINC000866512337 1137360150 /nfs/dbraw/zinc/36/01/50/1137360150.db2.gz XYJSZXSWFIWTKL-JTQLQIEISA-N 1 2 348.349 3.974 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000866566948 1137365583 /nfs/dbraw/zinc/36/55/83/1137365583.db2.gz LLFFNRDGODMYLK-CQSZACIVSA-N 1 2 333.382 3.894 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1nccs1)c1cccc(Br)c1 ZINC000866597706 1137367938 /nfs/dbraw/zinc/36/79/38/1137367938.db2.gz YAEFHXBVBFOBGR-MFKMUULPSA-N 1 2 341.274 3.944 20 0 EHADLO Clc1cccc2c1C[N@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000846901011 1137374682 /nfs/dbraw/zinc/37/46/82/1137374682.db2.gz SXIMGWAUMWYRLO-QGZVFWFLSA-N 1 2 328.843 3.561 20 0 EHADLO Clc1cccc2c1C[N@@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000846901011 1137374683 /nfs/dbraw/zinc/37/46/83/1137374683.db2.gz SXIMGWAUMWYRLO-QGZVFWFLSA-N 1 2 328.843 3.561 20 0 EHADLO CC1CCN(c2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)CC1 ZINC000121877310 1137387729 /nfs/dbraw/zinc/38/77/29/1137387729.db2.gz WHLPCZUEYVGCOJ-UHFFFAOYSA-N 1 2 326.444 3.538 20 0 EHADLO COc1ccccc1[C@@H](C)N(OC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001146562128 1137391952 /nfs/dbraw/zinc/39/19/52/1137391952.db2.gz AEARVIOLKRGQRE-WBVHZDCISA-N 1 2 345.443 3.630 20 0 EHADLO CC[C@H](C(=O)N[C@@H](CCC(C)C)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC001146767108 1137394115 /nfs/dbraw/zinc/39/41/15/1137394115.db2.gz WFNPFMMFINFCBJ-KURKYZTESA-N 1 2 340.552 3.843 20 0 EHADLO CC[C@H](C(=O)N[C@@H](CCC(C)C)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC001146767108 1137394117 /nfs/dbraw/zinc/39/41/17/1137394117.db2.gz WFNPFMMFINFCBJ-KURKYZTESA-N 1 2 340.552 3.843 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC[C@H](C)C3)CC2)s1 ZINC001147256617 1137402820 /nfs/dbraw/zinc/40/28/20/1137402820.db2.gz DXCZMENGOYCGCO-HOTGVXAUSA-N 1 2 334.529 3.781 20 0 EHADLO COc1cccc2[nH+]c(N[C@H]3COc4cccc(OC)c4C3)ccc21 ZINC001171310889 1137408074 /nfs/dbraw/zinc/40/80/74/1137408074.db2.gz GAXHOJIZBLPTQP-CYBMUJFWSA-N 1 2 336.391 3.668 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000122162265 1137410927 /nfs/dbraw/zinc/41/09/27/1137410927.db2.gz ITCSOQHVRXKRJJ-SFHVURJKSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000122162265 1137410929 /nfs/dbraw/zinc/41/09/29/1137410929.db2.gz ITCSOQHVRXKRJJ-SFHVURJKSA-N 1 2 343.446 3.908 20 0 EHADLO CC[C@@H]1C[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](CC)O1 ZINC001171319052 1137416754 /nfs/dbraw/zinc/41/67/54/1137416754.db2.gz FZCKKTTXOLXFRB-IOASZLSFSA-N 1 2 332.271 3.916 20 0 EHADLO CC(C)Oc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001148395221 1137423116 /nfs/dbraw/zinc/42/31/16/1137423116.db2.gz YYXGSUQNYQMTIS-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCc3oc(C)nc3C1)CC2 ZINC001171334294 1137429285 /nfs/dbraw/zinc/42/92/85/1137429285.db2.gz QNTPMDZKCMVPNH-LBPRGKRZSA-N 1 2 332.831 3.561 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCc3oc(C)nc3C1)CC2 ZINC001171334294 1137429286 /nfs/dbraw/zinc/42/92/86/1137429286.db2.gz QNTPMDZKCMVPNH-LBPRGKRZSA-N 1 2 332.831 3.561 20 0 EHADLO C[C@H](C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1)[NH+](C)C ZINC001148884637 1137437939 /nfs/dbraw/zinc/43/79/39/1137437939.db2.gz GJUQRSFLLZKIIK-CYBMUJFWSA-N 1 2 328.460 3.574 20 0 EHADLO C/C=C(\C=C\C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000282770095 1137447211 /nfs/dbraw/zinc/44/72/11/1137447211.db2.gz LIVCOPQKSDQKNB-UCKXTUAPSA-N 1 2 327.472 3.838 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1Cl ZINC000714937423 1137474534 /nfs/dbraw/zinc/47/45/34/1137474534.db2.gz RKLADEZENMAGRF-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO CC(C)(C)OC(=O)CCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000773247993 1137481278 /nfs/dbraw/zinc/48/12/78/1137481278.db2.gz QSBNRYRBFKAOGC-UHFFFAOYSA-N 1 2 347.463 3.505 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(=S)o1 ZINC000773265534 1137482634 /nfs/dbraw/zinc/48/26/34/1137482634.db2.gz SUAOFTSTAWSTKC-UONOGXRCSA-N 1 2 339.505 3.599 20 0 EHADLO CC(C)(C)c1nn(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(=S)o1 ZINC000773265534 1137482636 /nfs/dbraw/zinc/48/26/36/1137482636.db2.gz SUAOFTSTAWSTKC-UONOGXRCSA-N 1 2 339.505 3.599 20 0 EHADLO Fc1cccc2c1CC[C@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001171437960 1137483932 /nfs/dbraw/zinc/48/39/32/1137483932.db2.gz NZLLCMGUXSVXNA-AWEZNQCLSA-N 1 2 347.231 3.856 20 0 EHADLO Fc1cccc2c1CC[C@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001171437960 1137483933 /nfs/dbraw/zinc/48/39/33/1137483933.db2.gz NZLLCMGUXSVXNA-AWEZNQCLSA-N 1 2 347.231 3.856 20 0 EHADLO Cc1ccccc1NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018144797 1137486074 /nfs/dbraw/zinc/48/60/74/1137486074.db2.gz MPNZDOJHUVZUSV-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171443121 1137486274 /nfs/dbraw/zinc/48/62/74/1137486274.db2.gz XIAXIADOASHXHS-WMLDXEAASA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171443121 1137486276 /nfs/dbraw/zinc/48/62/76/1137486276.db2.gz XIAXIADOASHXHS-WMLDXEAASA-N 1 2 334.435 3.582 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccoc3)n2)C1 ZINC000339101773 1137489050 /nfs/dbraw/zinc/48/90/50/1137489050.db2.gz PGYFXOOUXPZFGP-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccoc3)n2)C1 ZINC000339101773 1137489051 /nfs/dbraw/zinc/48/90/51/1137489051.db2.gz PGYFXOOUXPZFGP-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO CC(C)COc1cc(NC2CCN(c3cccnc3)CC2)cc[nH+]1 ZINC001171473373 1137493120 /nfs/dbraw/zinc/49/31/20/1137493120.db2.gz XJLMXVCQSLKDOL-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC(C)(C)C ZINC001171518637 1137496020 /nfs/dbraw/zinc/49/60/20/1137496020.db2.gz XZJWXBIJPSJCKB-RISCZKNCSA-N 1 2 343.389 3.671 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC2(F)F)C[C@H]1C(C)(C)C ZINC001171586534 1137496949 /nfs/dbraw/zinc/49/69/49/1137496949.db2.gz RBKLXYKAWQTPSZ-AVGNSLFASA-N 1 2 332.435 3.798 20 0 EHADLO CCOC(=O)[C@H]([NH2+]C[C@H](OC)C1CCCC1)C1CCCCCC1 ZINC001171613836 1137500795 /nfs/dbraw/zinc/50/07/95/1137500795.db2.gz OOHDIHRWMLTFEA-ZWKOTPCHSA-N 1 2 325.493 3.683 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@H+](Cc2ccc(C(C)C)nc2C)CC12CCC2 ZINC001171906560 1137517755 /nfs/dbraw/zinc/51/77/55/1137517755.db2.gz MSTVKGFFDNHNQQ-HXUWFJFHSA-N 1 2 348.462 3.771 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@@H+](Cc2ccc(C(C)C)nc2C)CC12CCC2 ZINC001171906560 1137517757 /nfs/dbraw/zinc/51/77/57/1137517757.db2.gz MSTVKGFFDNHNQQ-HXUWFJFHSA-N 1 2 348.462 3.771 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000871247900 1137528879 /nfs/dbraw/zinc/52/88/79/1137528879.db2.gz ARDRSNQAQBYQNB-LIRRHRJNSA-N 1 2 347.409 3.736 20 0 EHADLO Brc1cnc2c(c1)C[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001172206422 1137541056 /nfs/dbraw/zinc/54/10/56/1137541056.db2.gz QPZCJUFJDVNBFT-CQSZACIVSA-N 1 2 347.281 3.877 20 0 EHADLO Brc1cnc2c(c1)C[N@@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001172206422 1137541057 /nfs/dbraw/zinc/54/10/57/1137541057.db2.gz QPZCJUFJDVNBFT-CQSZACIVSA-N 1 2 347.281 3.877 20 0 EHADLO FC1(F)CN([C@@H]2CSc3ccccc3C2)CC[C@H]1[NH+]1CCCC1 ZINC001172208967 1137541478 /nfs/dbraw/zinc/54/14/78/1137541478.db2.gz VIHSTGKWHZEGLL-DOTOQJQBSA-N 1 2 338.467 3.509 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172322928 1137547387 /nfs/dbraw/zinc/54/73/87/1137547387.db2.gz ZESVUBQSQUDIAC-SCTDSRPQSA-N 1 2 335.488 3.734 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000871869882 1137561563 /nfs/dbraw/zinc/56/15/63/1137561563.db2.gz BMFKQGNKTULXSI-UWVGGRQHSA-N 1 2 342.317 3.892 20 0 EHADLO C[C@@H](OC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1)c1ccc(Cl)cc1 ZINC000871989546 1137564101 /nfs/dbraw/zinc/56/41/01/1137564101.db2.gz OKMGKPMCPZJBSO-CJNGLKHVSA-N 1 2 336.863 3.973 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000872056331 1137568501 /nfs/dbraw/zinc/56/85/01/1137568501.db2.gz PZOJFCRVCRYILS-LPHOPBHVSA-N 1 2 332.488 3.653 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)CCO1 ZINC000872056331 1137568502 /nfs/dbraw/zinc/56/85/02/1137568502.db2.gz PZOJFCRVCRYILS-LPHOPBHVSA-N 1 2 332.488 3.653 20 0 EHADLO C[N@H+](Cc1ccccc1Oc1ccccc1)CC(C)(C)S(C)(=O)=O ZINC000123974763 1137575417 /nfs/dbraw/zinc/57/54/17/1137575417.db2.gz SFELSUCLOANGHD-UHFFFAOYSA-N 1 2 347.480 3.734 20 0 EHADLO C[N@@H+](Cc1ccccc1Oc1ccccc1)CC(C)(C)S(C)(=O)=O ZINC000123974763 1137575418 /nfs/dbraw/zinc/57/54/18/1137575418.db2.gz SFELSUCLOANGHD-UHFFFAOYSA-N 1 2 347.480 3.734 20 0 EHADLO O=C1C[C@H](C2CCCCC2)CN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000872565993 1137581449 /nfs/dbraw/zinc/58/14/49/1137581449.db2.gz TWMKDRICWFUVIR-HKUYNNGSSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1C[C@H](C2CCCCC2)CN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000872565993 1137581450 /nfs/dbraw/zinc/58/14/50/1137581450.db2.gz TWMKDRICWFUVIR-HKUYNNGSSA-N 1 2 327.472 3.605 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000874323505 1137613066 /nfs/dbraw/zinc/61/30/66/1137613066.db2.gz ACXPDDPOAFTSQF-XOBRGWDASA-N 1 2 341.430 3.623 20 0 EHADLO CCn1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C ZINC000874442081 1137614050 /nfs/dbraw/zinc/61/40/50/1137614050.db2.gz JRGXROMRCLVQEZ-UHFFFAOYSA-N 1 2 340.471 3.522 20 0 EHADLO CCCOc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000125038368 1137615166 /nfs/dbraw/zinc/61/51/66/1137615166.db2.gz OMJJPHCFSFUKLV-UHFFFAOYSA-N 1 2 343.427 3.818 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874604395 1137618842 /nfs/dbraw/zinc/61/88/42/1137618842.db2.gz USXMHHLZGMGBLZ-BZUAXINKSA-N 1 2 343.858 3.961 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874604395 1137618843 /nfs/dbraw/zinc/61/88/43/1137618843.db2.gz USXMHHLZGMGBLZ-BZUAXINKSA-N 1 2 343.858 3.961 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(Cl)nc1 ZINC000125768020 1137644716 /nfs/dbraw/zinc/64/47/16/1137644716.db2.gz FASGDNLYUBRBQV-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(Cl)nc1 ZINC000125768020 1137644717 /nfs/dbraw/zinc/64/47/17/1137644717.db2.gz FASGDNLYUBRBQV-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C1CC1 ZINC000876208720 1137646115 /nfs/dbraw/zinc/64/61/15/1137646115.db2.gz UKWFDKYQEFJBBK-KBXCAEBGSA-N 1 2 339.439 3.701 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C1CC1 ZINC000876208720 1137646116 /nfs/dbraw/zinc/64/61/16/1137646116.db2.gz UKWFDKYQEFJBBK-KBXCAEBGSA-N 1 2 339.439 3.701 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N(Cc1cccs1)C1CC1 ZINC000876213521 1137646210 /nfs/dbraw/zinc/64/62/10/1137646210.db2.gz TZJNCVXCFPVSBS-GOSISDBHSA-N 1 2 341.480 3.609 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N(Cc1cccs1)C1CC1 ZINC000876213521 1137646211 /nfs/dbraw/zinc/64/62/11/1137646211.db2.gz TZJNCVXCFPVSBS-GOSISDBHSA-N 1 2 341.480 3.609 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(Cl)cs1 ZINC000876512164 1137654439 /nfs/dbraw/zinc/65/44/39/1137654439.db2.gz HQTKYLFPFHBENC-LLVKDONJSA-N 1 2 333.848 3.570 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876512164 1137654440 /nfs/dbraw/zinc/65/44/40/1137654440.db2.gz HQTKYLFPFHBENC-LLVKDONJSA-N 1 2 333.848 3.570 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876574533 1137656104 /nfs/dbraw/zinc/65/61/04/1137656104.db2.gz VIIPNWDXRIVDCJ-GFCCVEGCSA-N 1 2 332.404 3.610 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876574533 1137656105 /nfs/dbraw/zinc/65/61/05/1137656105.db2.gz VIIPNWDXRIVDCJ-GFCCVEGCSA-N 1 2 332.404 3.610 20 0 EHADLO OC1CCN(c2ccc([NH2+]C[C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC000876822178 1137662787 /nfs/dbraw/zinc/66/27/87/1137662787.db2.gz RRJMBESMBAGPAQ-QGZVFWFLSA-N 1 2 336.479 3.865 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Cl)nn1)c1cccc(C(F)(F)F)c1 ZINC000877037689 1137668440 /nfs/dbraw/zinc/66/84/40/1137668440.db2.gz VLQWJTYMUNHFRR-ZDUSSCGKSA-N 1 2 345.752 3.626 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1F ZINC001137875240 1137671858 /nfs/dbraw/zinc/67/18/58/1137671858.db2.gz NGFJNQFRXPAVTH-ZDUSSCGKSA-N 1 2 329.362 3.800 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1F ZINC001137875240 1137671859 /nfs/dbraw/zinc/67/18/59/1137671859.db2.gz NGFJNQFRXPAVTH-ZDUSSCGKSA-N 1 2 329.362 3.800 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877167840 1137672051 /nfs/dbraw/zinc/67/20/51/1137672051.db2.gz KVGZXDOJYPBQID-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877167840 1137672052 /nfs/dbraw/zinc/67/20/52/1137672052.db2.gz KVGZXDOJYPBQID-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO Cc1n[nH]cc1C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000877507182 1137679055 /nfs/dbraw/zinc/67/90/55/1137679055.db2.gz MKABMLWCYXGFLS-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877565806 1137681449 /nfs/dbraw/zinc/68/14/49/1137681449.db2.gz RDQRGBCVCQYQLN-LBPRGKRZSA-N 1 2 347.684 3.744 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877565806 1137681450 /nfs/dbraw/zinc/68/14/50/1137681450.db2.gz RDQRGBCVCQYQLN-LBPRGKRZSA-N 1 2 347.684 3.744 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@H]3C=CCC3)cs2)cc1 ZINC000877624070 1137683305 /nfs/dbraw/zinc/68/33/05/1137683305.db2.gz IOGKGGIHIPVMNA-AWEZNQCLSA-N 1 2 343.452 3.645 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2ccc(Cl)nn2)s1 ZINC000877630135 1137683561 /nfs/dbraw/zinc/68/35/61/1137683561.db2.gz FZPWPKQQLOVYPM-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1nc(Cl)ccc1Br ZINC000877703313 1137686511 /nfs/dbraw/zinc/68/65/11/1137686511.db2.gz AUUMRRPLFOEWHY-IYSWYEEDSA-N 1 2 329.547 3.538 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)CC1 ZINC000877770834 1137689135 /nfs/dbraw/zinc/68/91/35/1137689135.db2.gz YXZFJFTXJNMIPU-CQSZACIVSA-N 1 2 333.863 3.852 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)CC1 ZINC000877770834 1137689136 /nfs/dbraw/zinc/68/91/36/1137689136.db2.gz YXZFJFTXJNMIPU-CQSZACIVSA-N 1 2 333.863 3.852 20 0 EHADLO Fc1ccc2ccc(C[N@@H+]3CCO[C@H](C(F)(F)F)CC3)nc2c1F ZINC000877822587 1137692017 /nfs/dbraw/zinc/69/20/17/1137692017.db2.gz SGQVGESYQVCSDG-ZDUSSCGKSA-N 1 2 346.299 3.666 20 0 EHADLO Fc1ccc2ccc(C[N@H+]3CCO[C@H](C(F)(F)F)CC3)nc2c1F ZINC000877822587 1137692018 /nfs/dbraw/zinc/69/20/18/1137692018.db2.gz SGQVGESYQVCSDG-ZDUSSCGKSA-N 1 2 346.299 3.666 20 0 EHADLO CC(C)(C)[C@H]1C[C@]2(CCO1)[NH2+]C(C)(C)C(=O)N2CC1CCCCC1 ZINC000877856986 1137693578 /nfs/dbraw/zinc/69/35/78/1137693578.db2.gz JLGPQDRHFPJTRH-OXQOHEQNSA-N 1 2 336.520 3.699 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878269036 1137709329 /nfs/dbraw/zinc/70/93/29/1137709329.db2.gz HWXODPSLEZGHOU-UHFFFAOYSA-N 1 2 329.347 3.948 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878269036 1137709330 /nfs/dbraw/zinc/70/93/30/1137709330.db2.gz HWXODPSLEZGHOU-UHFFFAOYSA-N 1 2 329.347 3.948 20 0 EHADLO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc2c(c1)OCO2 ZINC000878348684 1137711814 /nfs/dbraw/zinc/71/18/14/1137711814.db2.gz SWPOAPVQZNKSKT-GFCCVEGCSA-N 1 2 328.412 3.769 20 0 EHADLO COC[C@H]([NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1)C1CC1 ZINC000878378970 1137713666 /nfs/dbraw/zinc/71/36/66/1137713666.db2.gz RHSREBSJIFBWJN-LBPRGKRZSA-N 1 2 342.226 3.558 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncccc2Br)C1 ZINC000878428879 1137715727 /nfs/dbraw/zinc/71/57/27/1137715727.db2.gz TZWVUVGUBIPHKT-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncccc2Br)C1 ZINC000878428879 1137715728 /nfs/dbraw/zinc/71/57/28/1137715728.db2.gz TZWVUVGUBIPHKT-BLLLJJGKSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455463 1137716772 /nfs/dbraw/zinc/71/67/72/1137716772.db2.gz ZLSNLRUYYRHAJL-ZYHUDNBSSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455463 1137716773 /nfs/dbraw/zinc/71/67/73/1137716773.db2.gz ZLSNLRUYYRHAJL-ZYHUDNBSSA-N 1 2 344.406 3.706 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524821 1137718735 /nfs/dbraw/zinc/71/87/35/1137718735.db2.gz SEFRKGGOWOGYMX-HUUCEWRRSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524821 1137718736 /nfs/dbraw/zinc/71/87/36/1137718736.db2.gz SEFRKGGOWOGYMX-HUUCEWRRSA-N 1 2 326.227 3.587 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000878636604 1137723224 /nfs/dbraw/zinc/72/32/24/1137723224.db2.gz BKGCBBLDOLPEAG-DETPVDSQSA-N 1 2 342.817 3.953 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000878636604 1137723225 /nfs/dbraw/zinc/72/32/25/1137723225.db2.gz BKGCBBLDOLPEAG-DETPVDSQSA-N 1 2 342.817 3.953 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccnc1 ZINC000878653385 1137723917 /nfs/dbraw/zinc/72/39/17/1137723917.db2.gz GOACLFBYINGHJM-OAHLLOKOSA-N 1 2 340.254 3.633 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)sc1Br ZINC000878690434 1137725258 /nfs/dbraw/zinc/72/52/58/1137725258.db2.gz VLGNCIUHRWRXND-CYBMUJFWSA-N 1 2 347.347 3.933 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@]3(CCSC3)C2)sc1Br ZINC000878690434 1137725259 /nfs/dbraw/zinc/72/52/59/1137725259.db2.gz VLGNCIUHRWRXND-CYBMUJFWSA-N 1 2 347.347 3.933 20 0 EHADLO Oc1cccc(-c2nnc(C[NH2+]C3(c4cccc(F)c4)CCC3)o2)c1 ZINC000878760178 1137727473 /nfs/dbraw/zinc/72/74/73/1137727473.db2.gz GDNRHBWWTNUUNV-UHFFFAOYSA-N 1 2 339.370 3.750 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1scnc1Cl ZINC000878997295 1137734713 /nfs/dbraw/zinc/73/47/13/1137734713.db2.gz YOSJYFXVKRCRND-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1scnc1Cl ZINC000878997295 1137734714 /nfs/dbraw/zinc/73/47/14/1137734714.db2.gz YOSJYFXVKRCRND-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO Cc1ccc(NC(=O)N2CCc3ccsc3[C@H]2C)c(N(C)C)[nH+]1 ZINC000879002836 1137734998 /nfs/dbraw/zinc/73/49/98/1137734998.db2.gz OGEKBFUUVGKNHZ-GFCCVEGCSA-N 1 2 330.457 3.669 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)[C@H]2CCC[C@@H]21 ZINC000879055623 1137736538 /nfs/dbraw/zinc/73/65/38/1137736538.db2.gz JGRQZOBZVFMNQP-HFAKWTLXSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)[C@H]2CCC[C@@H]21 ZINC000879055623 1137736539 /nfs/dbraw/zinc/73/65/39/1137736539.db2.gz JGRQZOBZVFMNQP-HFAKWTLXSA-N 1 2 343.254 3.552 20 0 EHADLO Clc1ncsc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057105 1137736556 /nfs/dbraw/zinc/73/65/56/1137736556.db2.gz BEIPSIBFZWOUFF-CYBMUJFWSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ncsc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057105 1137736557 /nfs/dbraw/zinc/73/65/57/1137736557.db2.gz BEIPSIBFZWOUFF-CYBMUJFWSA-N 1 2 335.860 3.722 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000879104780 1137737953 /nfs/dbraw/zinc/73/79/53/1137737953.db2.gz OTFXRSQYECXVFM-HNNXBMFYSA-N 1 2 349.475 3.821 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000879104780 1137737954 /nfs/dbraw/zinc/73/79/54/1137737954.db2.gz OTFXRSQYECXVFM-HNNXBMFYSA-N 1 2 349.475 3.821 20 0 EHADLO O[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244984 1137742351 /nfs/dbraw/zinc/74/23/51/1137742351.db2.gz VBRVQMFLICAPQA-WFASDCNBSA-N 1 2 342.386 3.860 20 0 EHADLO O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244984 1137742352 /nfs/dbraw/zinc/74/23/52/1137742352.db2.gz VBRVQMFLICAPQA-WFASDCNBSA-N 1 2 342.386 3.860 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccnn3C)cs2)cc1 ZINC000879684820 1137755408 /nfs/dbraw/zinc/75/54/08/1137755408.db2.gz PRIBTYWZPZHVDO-ZDUSSCGKSA-N 1 2 342.468 3.793 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC[C@@H]3CCSC3)ccc21 ZINC000879718365 1137756393 /nfs/dbraw/zinc/75/63/93/1137756393.db2.gz GETOPIPZDHDUGS-CYBMUJFWSA-N 1 2 344.484 3.566 20 0 EHADLO Cc1cccc2c(C[N@@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)[nH]nc21 ZINC001137149509 1137766652 /nfs/dbraw/zinc/76/66/52/1137766652.db2.gz WQTIKVKAFHBABV-HXUWFJFHSA-N 1 2 339.414 3.758 20 0 EHADLO Cc1cccc2c(C[N@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)[nH]nc21 ZINC001137149509 1137766653 /nfs/dbraw/zinc/76/66/53/1137766653.db2.gz WQTIKVKAFHBABV-HXUWFJFHSA-N 1 2 339.414 3.758 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ncsc3C3CC3)ccc21 ZINC000880166175 1137769751 /nfs/dbraw/zinc/76/97/51/1137769751.db2.gz ZJTDNOPDQDMDTN-UHFFFAOYSA-N 1 2 338.436 3.887 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2csc(-c3ccoc3)n2)(c2ccccc2)C1 ZINC000880224365 1137771327 /nfs/dbraw/zinc/77/13/27/1137771327.db2.gz GZBCFEHOJJZICB-MAEOIBBWSA-N 1 2 326.421 3.543 20 0 EHADLO FC[C@@H]1CCC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000880238017 1137771780 /nfs/dbraw/zinc/77/17/80/1137771780.db2.gz MVDQPOJJFLLMSG-JTQLQIEISA-N 1 2 327.762 3.711 20 0 EHADLO FC[C@@H]1CCC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000880238017 1137771781 /nfs/dbraw/zinc/77/17/81/1137771781.db2.gz MVDQPOJJFLLMSG-JTQLQIEISA-N 1 2 327.762 3.711 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880302747 1137774102 /nfs/dbraw/zinc/77/41/02/1137774102.db2.gz IXEJPMWRZXATED-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000880302747 1137774103 /nfs/dbraw/zinc/77/41/03/1137774103.db2.gz IXEJPMWRZXATED-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO COc1cccc(Cl)c1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000880804976 1137790313 /nfs/dbraw/zinc/79/03/13/1137790313.db2.gz ZDVNYPJXJDMJGQ-HNNXBMFYSA-N 1 2 345.830 3.657 20 0 EHADLO COc1cccc(Cl)c1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000880804976 1137790314 /nfs/dbraw/zinc/79/03/14/1137790314.db2.gz ZDVNYPJXJDMJGQ-HNNXBMFYSA-N 1 2 345.830 3.657 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000880858710 1137791673 /nfs/dbraw/zinc/79/16/73/1137791673.db2.gz MPSHSAVDSLCLLD-UHFFFAOYSA-N 1 2 325.412 3.906 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC000881073232 1137799879 /nfs/dbraw/zinc/79/98/79/1137799879.db2.gz FXXLWHOBTHTLPO-ZDUSSCGKSA-N 1 2 344.434 3.878 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@H]1CCCC1(F)F ZINC000881585391 1137810832 /nfs/dbraw/zinc/81/08/32/1137810832.db2.gz AHPGVQZCEZHBMI-HZPDHXFCSA-N 1 2 347.409 3.873 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000882035787 1137819447 /nfs/dbraw/zinc/81/94/47/1137819447.db2.gz PWTWMVZFEMBCBN-HXUWFJFHSA-N 1 2 325.456 3.746 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000882035787 1137819448 /nfs/dbraw/zinc/81/94/48/1137819448.db2.gz PWTWMVZFEMBCBN-HXUWFJFHSA-N 1 2 325.456 3.746 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000888904110 1137820168 /nfs/dbraw/zinc/82/01/68/1137820168.db2.gz HXRIFRHPWYPXDE-IPMKNSEASA-N 1 2 337.467 3.678 20 0 EHADLO CCOc1ccc([C@H](O)C2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000882390320 1137826169 /nfs/dbraw/zinc/82/61/69/1137826169.db2.gz UFSICLIITYTFCJ-IBGZPJMESA-N 1 2 330.403 3.569 20 0 EHADLO CC(C)(C)C(=O)CCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872108 1137836288 /nfs/dbraw/zinc/83/62/88/1137836288.db2.gz WSPGYEKMNJZTDM-QGZVFWFLSA-N 1 2 341.455 3.526 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882984953 1137840369 /nfs/dbraw/zinc/84/03/69/1137840369.db2.gz AFKMPFMVMUPRBP-UHFFFAOYSA-N 1 2 338.249 3.594 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)n1 ZINC000883193592 1137848162 /nfs/dbraw/zinc/84/81/62/1137848162.db2.gz ZMKCXJPHYUYQAI-AWEZNQCLSA-N 1 2 325.815 3.539 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1ncc(C2OCCO2)s1 ZINC000883215436 1137849055 /nfs/dbraw/zinc/84/90/55/1137849055.db2.gz YNACWPYEUZSTEF-UHFFFAOYSA-N 1 2 344.440 3.731 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883307122 1137853667 /nfs/dbraw/zinc/85/36/67/1137853667.db2.gz MUISSBUWIVJECY-UHFFFAOYSA-N 1 2 339.468 3.541 20 0 EHADLO CCCCOc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1OC ZINC000883307940 1137853820 /nfs/dbraw/zinc/85/38/20/1137853820.db2.gz DRPHJHRLTVPKOH-UHFFFAOYSA-N 1 2 341.455 3.833 20 0 EHADLO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1(c3ncccn3)CCC1)CCC2 ZINC000883312299 1137854182 /nfs/dbraw/zinc/85/41/82/1137854182.db2.gz ZKRHPKQTMOVMAN-OAHLLOKOSA-N 1 2 348.372 3.937 20 0 EHADLO Cc1cccnc1N1CCC[N@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891262 1137857782 /nfs/dbraw/zinc/85/77/82/1137857782.db2.gz GXCFXKVWALFDIJ-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO Cc1cccnc1N1CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891262 1137857783 /nfs/dbraw/zinc/85/77/83/1137857783.db2.gz GXCFXKVWALFDIJ-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC2(CC2)CC1 ZINC000883650447 1137866261 /nfs/dbraw/zinc/86/62/61/1137866261.db2.gz DOYNYVBXMDMOGQ-GOSISDBHSA-N 1 2 338.455 3.646 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000883827796 1137873086 /nfs/dbraw/zinc/87/30/86/1137873086.db2.gz GMDWUWIMNKDZLQ-INIZCTEOSA-N 1 2 344.484 3.542 20 0 EHADLO Cc1ccc2c(Nc3cc(S(C)(=O)=O)ccc3F)cccc2[nH+]1 ZINC001212796880 1137874503 /nfs/dbraw/zinc/87/45/03/1137874503.db2.gz JYRAUCZCOHXTKR-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311523 1137876006 /nfs/dbraw/zinc/87/60/06/1137876006.db2.gz DYSHMYISCCBXOX-UHFFFAOYSA-N 1 2 334.423 3.583 20 0 EHADLO C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001626125332 1137878605 /nfs/dbraw/zinc/87/86/05/1137878605.db2.gz BUGDJNKNTMZILQ-ZACQAIPSSA-N 1 2 338.455 3.667 20 0 EHADLO C[C@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)c1ccccn1 ZINC000282857687 1137886077 /nfs/dbraw/zinc/88/60/77/1137886077.db2.gz WYBWLYRFUAHBTK-LKFCYVNXSA-N 1 2 337.192 3.768 20 0 EHADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1Cc2ccccc2C1 ZINC000107306773 1137886277 /nfs/dbraw/zinc/88/62/77/1137886277.db2.gz GTQHEKWLCVNIOS-MRXNPFEDSA-N 1 2 335.451 3.630 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 ZINC000029485322 1137893717 /nfs/dbraw/zinc/89/37/17/1137893717.db2.gz HDJYVSYFEDIOFB-GOSISDBHSA-N 1 2 349.883 3.733 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 ZINC000029485322 1137893718 /nfs/dbraw/zinc/89/37/18/1137893718.db2.gz HDJYVSYFEDIOFB-GOSISDBHSA-N 1 2 349.883 3.733 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000112536097 1137908481 /nfs/dbraw/zinc/90/84/81/1137908481.db2.gz BYAOUJBXQRSDSK-VHSXEESVSA-N 1 2 329.322 3.731 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000331667291 1137916452 /nfs/dbraw/zinc/91/64/52/1137916452.db2.gz NOIUAUGXIFYPBU-MRXNPFEDSA-N 1 2 340.471 3.778 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cs1)C1CC1 ZINC000114713310 1137918488 /nfs/dbraw/zinc/91/84/88/1137918488.db2.gz VZQQXXVNKOZCSR-GOSISDBHSA-N 1 2 341.480 3.996 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2c2ccccc2)cs1)C1CC1 ZINC000114713310 1137918489 /nfs/dbraw/zinc/91/84/89/1137918489.db2.gz VZQQXXVNKOZCSR-GOSISDBHSA-N 1 2 341.480 3.996 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc([NH+](C)C)cc1C ZINC000282898759 1137921615 /nfs/dbraw/zinc/92/16/15/1137921615.db2.gz YOQGMCXKWKCPTI-UHFFFAOYSA-N 1 2 335.455 3.871 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000115455789 1137922051 /nfs/dbraw/zinc/92/20/51/1137922051.db2.gz CMGUFZPBAOQRIP-LAUBAEHRSA-N 1 2 345.446 3.950 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000115859341 1137923858 /nfs/dbraw/zinc/92/38/58/1137923858.db2.gz CLYYGDSIQPENRF-MRXNPFEDSA-N 1 2 326.444 3.608 20 0 EHADLO CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1ccccn1 ZINC000133948901 1137926848 /nfs/dbraw/zinc/92/68/48/1137926848.db2.gz ACYUEAZOVSELLU-UHFFFAOYSA-N 1 2 331.489 3.720 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000332051567 1137930113 /nfs/dbraw/zinc/93/01/13/1137930113.db2.gz UEXIOPFECQLEDQ-ZDUSSCGKSA-N 1 2 341.411 3.661 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)ccc2[nH+]1 ZINC000332194794 1137935191 /nfs/dbraw/zinc/93/51/91/1137935191.db2.gz BTLPDPBRLHQKGB-UHFFFAOYSA-N 1 2 339.443 3.970 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(Cl)c3)C2)n[nH]1 ZINC000332247687 1137937084 /nfs/dbraw/zinc/93/70/84/1137937084.db2.gz BQIBTQWHZDGTSU-OAHLLOKOSA-N 1 2 348.878 3.933 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(OC(C)C)c(Cl)c3)C2)n[nH]1 ZINC000332247687 1137937085 /nfs/dbraw/zinc/93/70/85/1137937085.db2.gz BQIBTQWHZDGTSU-OAHLLOKOSA-N 1 2 348.878 3.933 20 0 EHADLO CC(C)CCC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000332375397 1137941879 /nfs/dbraw/zinc/94/18/79/1137941879.db2.gz ZXHIRCKGRCJTOH-UHFFFAOYSA-N 1 2 332.492 3.577 20 0 EHADLO COc1nc2ccccc2cc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001137206715 1137942356 /nfs/dbraw/zinc/94/23/56/1137942356.db2.gz GHOKZAVEBMHMOT-UHFFFAOYSA-N 1 2 336.407 3.570 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccs1 ZINC000120104337 1137946654 /nfs/dbraw/zinc/94/66/54/1137946654.db2.gz MAIOQGBVKSYTIC-OAHLLOKOSA-N 1 2 343.496 3.943 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000348320947 1137950374 /nfs/dbraw/zinc/95/03/74/1137950374.db2.gz DVIFQLYNAWHIEX-LJQANCHMSA-N 1 2 340.492 3.860 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000348320947 1137950375 /nfs/dbraw/zinc/95/03/75/1137950375.db2.gz DVIFQLYNAWHIEX-LJQANCHMSA-N 1 2 340.492 3.860 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)cc1 ZINC000333149927 1137956632 /nfs/dbraw/zinc/95/66/32/1137956632.db2.gz LPFGRGUNMFFKAY-LJQANCHMSA-N 1 2 338.455 3.758 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CC2)cc1 ZINC000333149927 1137956633 /nfs/dbraw/zinc/95/66/33/1137956633.db2.gz LPFGRGUNMFFKAY-LJQANCHMSA-N 1 2 338.455 3.758 20 0 EHADLO CCO[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(C)C ZINC000348332406 1137972669 /nfs/dbraw/zinc/97/26/69/1137972669.db2.gz TZONYUCKSVEEHW-MRXNPFEDSA-N 1 2 335.835 3.915 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885245027 1137991537 /nfs/dbraw/zinc/99/15/37/1137991537.db2.gz LBKAFSZKNPBARA-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c(=S)ncn2-c2ccccc2)Cc2ccccc21 ZINC000885771563 1138020172 /nfs/dbraw/zinc/02/01/72/1138020172.db2.gz IZYUTLBHORERES-OAHLLOKOSA-N 1 2 336.464 3.980 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c(=S)ncn2-c2ccccc2)Cc2ccccc21 ZINC000885771563 1138020174 /nfs/dbraw/zinc/02/01/74/1138020174.db2.gz IZYUTLBHORERES-OAHLLOKOSA-N 1 2 336.464 3.980 20 0 EHADLO COc1cc(C)cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1OC ZINC000885960273 1138028523 /nfs/dbraw/zinc/02/85/23/1138028523.db2.gz IOEPADVWQQKHRE-UHFFFAOYSA-N 1 2 332.469 3.946 20 0 EHADLO Cc1cn[nH]c1CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000886122515 1138049209 /nfs/dbraw/zinc/04/92/09/1138049209.db2.gz CNRUYIUUCKLJAN-SFHVURJKSA-N 1 2 348.441 3.702 20 0 EHADLO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000054324960 1138050188 /nfs/dbraw/zinc/05/01/88/1138050188.db2.gz IFPIGMYMZXJEFB-AWEZNQCLSA-N 1 2 338.879 3.804 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2ccc(C3CC3)cc2)n1 ZINC000886302569 1138066124 /nfs/dbraw/zinc/06/61/24/1138066124.db2.gz QLQLTTGPAMQHAO-UHFFFAOYSA-N 1 2 337.398 3.967 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(F)cc2C)[nH+]1 ZINC000137624668 1138066822 /nfs/dbraw/zinc/06/68/22/1138066822.db2.gz KRQWGBKZXDPDQC-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2ccccc2[nH]1 ZINC000069536682 1138089275 /nfs/dbraw/zinc/08/92/75/1138089275.db2.gz PREUHTLEZYZFNW-UHFFFAOYSA-N 1 2 340.452 3.863 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ncn(C)n1 ZINC000886596559 1138100233 /nfs/dbraw/zinc/10/02/33/1138100233.db2.gz IIHPWSPOCXITPR-HZMBPMFUSA-N 1 2 329.835 3.678 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000886601379 1138100670 /nfs/dbraw/zinc/10/06/70/1138100670.db2.gz QZQTYZFLROROKZ-NVXWUHKLSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3ncccc3C(F)(F)F)CC2)[nH+]c1C ZINC000886659663 1138110000 /nfs/dbraw/zinc/11/00/00/1138110000.db2.gz RUKQXJACSJWWMT-UHFFFAOYSA-N 1 2 338.377 3.820 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678379 1138112993 /nfs/dbraw/zinc/11/29/93/1138112993.db2.gz CFOASHQCYXWDFH-ZDUSSCGKSA-N 1 2 343.381 3.601 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678379 1138112994 /nfs/dbraw/zinc/11/29/94/1138112994.db2.gz CFOASHQCYXWDFH-ZDUSSCGKSA-N 1 2 343.381 3.601 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678612 1138113350 /nfs/dbraw/zinc/11/33/50/1138113350.db2.gz HMGLTGZTZAJLBB-HNNXBMFYSA-N 1 2 328.485 3.970 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886678612 1138113351 /nfs/dbraw/zinc/11/33/51/1138113351.db2.gz HMGLTGZTZAJLBB-HNNXBMFYSA-N 1 2 328.485 3.970 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(Cc3ccccc3F)no1)CC2 ZINC000886712785 1138122880 /nfs/dbraw/zinc/12/28/80/1138122880.db2.gz MKJBHHMPNKULGM-SFHVURJKSA-N 1 2 337.398 3.885 20 0 EHADLO CSCc1nnc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)[nH]1 ZINC000886753852 1138131854 /nfs/dbraw/zinc/13/18/54/1138131854.db2.gz XPSMEIPIGSEYEK-QWRGUYRKSA-N 1 2 347.513 3.559 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1OC ZINC000079303290 1138155075 /nfs/dbraw/zinc/15/50/75/1138155075.db2.gz LJNVMAUXMBASCN-STQMWFEESA-N 1 2 333.432 3.930 20 0 EHADLO CC1(C)C(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1(C)C ZINC001137230670 1138171664 /nfs/dbraw/zinc/17/16/64/1138171664.db2.gz FDGCFPNAOPRHOU-HNNXBMFYSA-N 1 2 334.891 3.855 20 0 EHADLO CC1(C)C(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1(C)C ZINC001137230670 1138171666 /nfs/dbraw/zinc/17/16/66/1138171666.db2.gz FDGCFPNAOPRHOU-HNNXBMFYSA-N 1 2 334.891 3.855 20 0 EHADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000886969228 1138176929 /nfs/dbraw/zinc/17/69/29/1138176929.db2.gz UCECMIFLADZNCF-XKQJLSEDSA-N 1 2 339.863 3.534 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnccc1Cl ZINC001137231981 1138182282 /nfs/dbraw/zinc/18/22/82/1138182282.db2.gz ZIQXIGUIGZUNNI-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnccc1Cl ZINC001137231981 1138182283 /nfs/dbraw/zinc/18/22/83/1138182283.db2.gz ZIQXIGUIGZUNNI-CQSZACIVSA-N 1 2 339.867 3.614 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3cnccc3Cl)CC2)cc1 ZINC001137236421 1138184336 /nfs/dbraw/zinc/18/43/36/1138184336.db2.gz DPIICDXXXKJVPE-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091704402 1138221127 /nfs/dbraw/zinc/22/11/27/1138221127.db2.gz UPRWVJKUDHIZNB-QGZVFWFLSA-N 1 2 325.456 3.512 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091704402 1138221129 /nfs/dbraw/zinc/22/11/29/1138221129.db2.gz UPRWVJKUDHIZNB-QGZVFWFLSA-N 1 2 325.456 3.512 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012754 1138224156 /nfs/dbraw/zinc/22/41/56/1138224156.db2.gz JKNZNOBDJYLBDA-OAHLLOKOSA-N 1 2 335.883 3.870 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012754 1138224159 /nfs/dbraw/zinc/22/41/59/1138224159.db2.gz JKNZNOBDJYLBDA-OAHLLOKOSA-N 1 2 335.883 3.870 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092730075 1138230953 /nfs/dbraw/zinc/23/09/53/1138230953.db2.gz VHCQLPIXYAGREU-SFHVURJKSA-N 1 2 329.444 3.552 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092730075 1138230954 /nfs/dbraw/zinc/23/09/54/1138230954.db2.gz VHCQLPIXYAGREU-SFHVURJKSA-N 1 2 329.444 3.552 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000093079716 1138233888 /nfs/dbraw/zinc/23/38/88/1138233888.db2.gz HGPKRAJZTRBIPG-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000093079716 1138233889 /nfs/dbraw/zinc/23/38/89/1138233889.db2.gz HGPKRAJZTRBIPG-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccccc1[C@H](CN[C@@H](C)c1nccs1)[NH+]1CCCC1 ZINC000093369024 1138236928 /nfs/dbraw/zinc/23/69/28/1138236928.db2.gz VHGAWCPTOJETHD-HOCLYGCPSA-N 1 2 331.485 3.639 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000093606496 1138238773 /nfs/dbraw/zinc/23/87/73/1138238773.db2.gz FAEGLXHIBLBJIR-VBKZILBWSA-N 1 2 342.414 3.746 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000093606496 1138238775 /nfs/dbraw/zinc/23/87/75/1138238775.db2.gz FAEGLXHIBLBJIR-VBKZILBWSA-N 1 2 342.414 3.746 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810188 1138241417 /nfs/dbraw/zinc/24/14/17/1138241417.db2.gz KATUOVNCXLXXHL-GOSISDBHSA-N 1 2 328.460 3.721 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810188 1138241418 /nfs/dbraw/zinc/24/14/18/1138241418.db2.gz KATUOVNCXLXXHL-GOSISDBHSA-N 1 2 328.460 3.721 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000121991463 1138253293 /nfs/dbraw/zinc/25/32/93/1138253293.db2.gz TVHRITAQWDFLFZ-ZFWWWQNUSA-N 1 2 345.512 3.884 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000121991463 1138253294 /nfs/dbraw/zinc/25/32/94/1138253294.db2.gz TVHRITAQWDFLFZ-ZFWWWQNUSA-N 1 2 345.512 3.884 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000122166478 1138255211 /nfs/dbraw/zinc/25/52/11/1138255211.db2.gz UKWMOGUPSVXTLT-QWQRMKEZSA-N 1 2 329.396 3.589 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000122166478 1138255212 /nfs/dbraw/zinc/25/52/12/1138255212.db2.gz UKWMOGUPSVXTLT-QWQRMKEZSA-N 1 2 329.396 3.589 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1C ZINC000122366973 1138257391 /nfs/dbraw/zinc/25/73/91/1138257391.db2.gz ZHGMLBWHEVXQQJ-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1C ZINC000122366973 1138257393 /nfs/dbraw/zinc/25/73/93/1138257393.db2.gz ZHGMLBWHEVXQQJ-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000123879852 1138275643 /nfs/dbraw/zinc/27/56/43/1138275643.db2.gz KILAOEZCXBNYJI-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3c(F)cccc3N3CCCC3)nc12 ZINC000124012109 1138277823 /nfs/dbraw/zinc/27/78/23/1138277823.db2.gz RJTSRJVYERPOTK-UHFFFAOYSA-N 1 2 338.430 3.672 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C)s3)CCCC2)no1 ZINC000124059875 1138278429 /nfs/dbraw/zinc/27/84/29/1138278429.db2.gz QDJDKPZPADAFFC-UHFFFAOYSA-N 1 2 348.516 3.840 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124469140 1138287482 /nfs/dbraw/zinc/28/74/82/1138287482.db2.gz KVGDGVNWVURCSQ-XHDPSFHLSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1Cl ZINC000333508418 1138298452 /nfs/dbraw/zinc/29/84/52/1138298452.db2.gz DUGVAURDYISWRA-TZMCWYRMSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1Cl ZINC000333508418 1138298454 /nfs/dbraw/zinc/29/84/54/1138298454.db2.gz DUGVAURDYISWRA-TZMCWYRMSA-N 1 2 333.819 3.624 20 0 EHADLO CSc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000127092697 1138346485 /nfs/dbraw/zinc/34/64/85/1138346485.db2.gz PNULRBQDJBYVOM-BBRMVZONSA-N 1 2 330.457 3.720 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000127545269 1138361816 /nfs/dbraw/zinc/36/18/16/1138361816.db2.gz JODNXUWHDFYEPV-RISCZKNCSA-N 1 2 336.798 3.791 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(F)c1F ZINC000263806299 1138371300 /nfs/dbraw/zinc/37/13/00/1138371300.db2.gz MDTZPKVVFLPZOE-UHFFFAOYSA-N 1 2 337.395 3.660 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000263870244 1138384046 /nfs/dbraw/zinc/38/40/46/1138384046.db2.gz ZRRYYHNYWFSDNR-UHFFFAOYSA-N 1 2 340.471 3.666 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263951741 1138397128 /nfs/dbraw/zinc/39/71/28/1138397128.db2.gz PCSQKUNOVOAAML-INIZCTEOSA-N 1 2 327.428 3.608 20 0 EHADLO CCCCCCn1cc(-c2nc(Cn3cc[nH+]c3)sc2C)nn1 ZINC000887531175 1138398903 /nfs/dbraw/zinc/39/89/03/1138398903.db2.gz DQWOBMGYRGDNQZ-UHFFFAOYSA-N 1 2 330.461 3.535 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000264001675 1138404039 /nfs/dbraw/zinc/40/40/39/1138404039.db2.gz LFEZYGQGRQETCB-UHFFFAOYSA-N 1 2 337.467 3.584 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000129601080 1138415281 /nfs/dbraw/zinc/41/52/81/1138415281.db2.gz QGPYUVIDWQJYRT-GFCCVEGCSA-N 1 2 336.407 3.545 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCC2(CCCCC2)O1 ZINC000336878490 1138419419 /nfs/dbraw/zinc/41/94/19/1138419419.db2.gz FROMMVRMOJXKBH-CQSZACIVSA-N 1 2 345.409 3.759 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCC2(CCCCC2)O1 ZINC000336878490 1138419421 /nfs/dbraw/zinc/41/94/21/1138419421.db2.gz FROMMVRMOJXKBH-CQSZACIVSA-N 1 2 345.409 3.759 20 0 EHADLO O=C(CCc1c[nH]c2ccccc12)NCCCCNc1cccc[nH+]1 ZINC000264105737 1138419874 /nfs/dbraw/zinc/41/98/74/1138419874.db2.gz CKWPUODRULXZNM-UHFFFAOYSA-N 1 2 336.439 3.504 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000129738232 1138420480 /nfs/dbraw/zinc/42/04/80/1138420480.db2.gz POJNKVKBADTKBW-LJQANCHMSA-N 1 2 334.423 3.550 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000129781809 1138422378 /nfs/dbraw/zinc/42/23/78/1138422378.db2.gz OCSXJZWTBXZHCB-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO CCc1ccsc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264149719 1138429329 /nfs/dbraw/zinc/42/93/29/1138429329.db2.gz ABOMWZFFVGURDC-AWEZNQCLSA-N 1 2 344.480 3.956 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@H]2CC=CCC2)c1)[NH+]1CCOCC1 ZINC000264207902 1138443256 /nfs/dbraw/zinc/44/32/56/1138443256.db2.gz GKZSJGDJBFSELS-IRXDYDNUSA-N 1 2 343.471 3.558 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCCc3ccncc3)c12 ZINC000337013307 1138447910 /nfs/dbraw/zinc/44/79/10/1138447910.db2.gz IWVBBAXEJZELHQ-UHFFFAOYSA-N 1 2 346.203 3.608 20 0 EHADLO COCCN(C)c1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000348550468 1138448634 /nfs/dbraw/zinc/44/86/34/1138448634.db2.gz JBFGJUFQQUQYMP-SFHVURJKSA-N 1 2 345.874 3.765 20 0 EHADLO COCCN(C)c1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000348550468 1138448636 /nfs/dbraw/zinc/44/86/36/1138448636.db2.gz JBFGJUFQQUQYMP-SFHVURJKSA-N 1 2 345.874 3.765 20 0 EHADLO CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000337092325 1138464580 /nfs/dbraw/zinc/46/45/80/1138464580.db2.gz MFWQCRGQMRTSEX-FQEVSTJZSA-N 1 2 349.434 3.821 20 0 EHADLO C[C@@H](CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000887578626 1138468961 /nfs/dbraw/zinc/46/89/61/1138468961.db2.gz AWUAVKOHZMFSNE-FUHWJXTLSA-N 1 2 325.456 3.877 20 0 EHADLO COc1ncc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c(C)n1 ZINC000337170183 1138485066 /nfs/dbraw/zinc/48/50/66/1138485066.db2.gz CSHLYISHTVSCBY-UHFFFAOYSA-N 1 2 338.238 3.879 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193466 1138491370 /nfs/dbraw/zinc/49/13/70/1138491370.db2.gz UPEAYGOXPDDAMK-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193466 1138491373 /nfs/dbraw/zinc/49/13/73/1138491373.db2.gz UPEAYGOXPDDAMK-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1OC(F)F ZINC000337198095 1138493023 /nfs/dbraw/zinc/49/30/23/1138493023.db2.gz ZHTPBOGYMBHKOF-ZDUSSCGKSA-N 1 2 344.365 3.720 20 0 EHADLO Cn1cccc1CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000131857196 1138546776 /nfs/dbraw/zinc/54/67/76/1138546776.db2.gz MCQFDCSGYBHNOB-UHFFFAOYSA-N 1 2 326.469 3.726 20 0 EHADLO Cn1cccc1CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000131857196 1138546779 /nfs/dbraw/zinc/54/67/79/1138546779.db2.gz MCQFDCSGYBHNOB-UHFFFAOYSA-N 1 2 326.469 3.726 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000132420155 1138579504 /nfs/dbraw/zinc/57/95/04/1138579504.db2.gz OAXUYSNUARDEPK-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C)cs2)CC2CC2)c(OC)c1 ZINC000337477875 1138581000 /nfs/dbraw/zinc/58/10/00/1138581000.db2.gz ZGOWIBOAKXMYDI-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C)cs2)CC2CC2)c(OC)c1 ZINC000337477875 1138581003 /nfs/dbraw/zinc/58/10/03/1138581003.db2.gz ZGOWIBOAKXMYDI-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1csc2ccccc12 ZINC000337481616 1138581741 /nfs/dbraw/zinc/58/17/41/1138581741.db2.gz FBPLLSMJRMBZCM-UHFFFAOYSA-N 1 2 340.452 3.598 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3CCC([C@H](C)O)CC3)cs2)cc1 ZINC000264703613 1138611443 /nfs/dbraw/zinc/61/14/43/1138611443.db2.gz IUURPRYCCNQVOF-HNNXBMFYSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337581510 1138612939 /nfs/dbraw/zinc/61/29/39/1138612939.db2.gz JDNWJYGSWDQAQP-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000337607505 1138619308 /nfs/dbraw/zinc/61/93/08/1138619308.db2.gz NOJJQUQACYGFFP-UHFFFAOYSA-N 1 2 349.434 3.613 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000133663219 1138650122 /nfs/dbraw/zinc/65/01/22/1138650122.db2.gz LIPDMBJCHOQEHN-UHFFFAOYSA-N 1 2 339.361 3.540 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786566 1138656241 /nfs/dbraw/zinc/65/62/41/1138656241.db2.gz BPZWERSKQNPJFS-QRQLOZEOSA-N 1 2 345.414 3.621 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786566 1138656243 /nfs/dbraw/zinc/65/62/43/1138656243.db2.gz BPZWERSKQNPJFS-QRQLOZEOSA-N 1 2 345.414 3.621 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1F ZINC000264865918 1138661727 /nfs/dbraw/zinc/66/17/27/1138661727.db2.gz NHXQUTLGWIVTPL-SNVBAGLBSA-N 1 2 338.308 3.738 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)[C@H](C)C1 ZINC000337760942 1138661743 /nfs/dbraw/zinc/66/17/43/1138661743.db2.gz ZKHPXJMNQJKDCW-RCCFBDPRSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)[C@H](C)C1 ZINC000337760942 1138661745 /nfs/dbraw/zinc/66/17/45/1138661745.db2.gz ZKHPXJMNQJKDCW-RCCFBDPRSA-N 1 2 344.499 3.554 20 0 EHADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1nc2ccccc2s1 ZINC000337820371 1138675660 /nfs/dbraw/zinc/67/56/60/1138675660.db2.gz TWFIIBBMVNSKIG-UHFFFAOYSA-N 1 2 331.485 3.554 20 0 EHADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1nc2ccccc2s1 ZINC000337820371 1138675663 /nfs/dbraw/zinc/67/56/63/1138675663.db2.gz TWFIIBBMVNSKIG-UHFFFAOYSA-N 1 2 331.485 3.554 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3=CCCC3)n2)C1 ZINC000337994238 1138718830 /nfs/dbraw/zinc/71/88/30/1138718830.db2.gz KHEIKPRXZRSDGV-CQSZACIVSA-N 1 2 348.516 3.997 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3=CCCC3)n2)C1 ZINC000337994238 1138718833 /nfs/dbraw/zinc/71/88/33/1138718833.db2.gz KHEIKPRXZRSDGV-CQSZACIVSA-N 1 2 348.516 3.997 20 0 EHADLO CCOc1ccc([C@@H](NC(=O)CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000338033072 1138728785 /nfs/dbraw/zinc/72/87/85/1138728785.db2.gz WCTGIDBHUOMUTK-NRFANRHFSA-N 1 2 349.434 3.578 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@]3(C)CCOC4(CCC4)C3)ccc2[nH+]1 ZINC000887726520 1138742903 /nfs/dbraw/zinc/74/29/03/1138742903.db2.gz NQUWOIRWZLITNV-SFHVURJKSA-N 1 2 342.443 3.504 20 0 EHADLO CC(C)CCO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338116455 1138756267 /nfs/dbraw/zinc/75/62/67/1138756267.db2.gz GNAUPAKQWPLPPE-ZDUSSCGKSA-N 1 2 335.835 3.915 20 0 EHADLO O=C(c1csc(Cl)c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338260172 1138805106 /nfs/dbraw/zinc/80/51/06/1138805106.db2.gz FUDMIOQFGIPRIX-ZDUSSCGKSA-N 1 2 341.263 3.842 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1c(Cl)cccc1OC ZINC000338303517 1138825552 /nfs/dbraw/zinc/82/55/52/1138825552.db2.gz HEFUTNSUQCDVNN-CABCVRRESA-N 1 2 338.879 3.570 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1c(Cl)cccc1OC ZINC000338303517 1138825557 /nfs/dbraw/zinc/82/55/57/1138825557.db2.gz HEFUTNSUQCDVNN-CABCVRRESA-N 1 2 338.879 3.570 20 0 EHADLO CCn1ccnc1C[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000338364930 1138860360 /nfs/dbraw/zinc/86/03/60/1138860360.db2.gz AXFDEXSFZZVXKH-HNNXBMFYSA-N 1 2 343.471 3.721 20 0 EHADLO CCn1ccnc1C[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000338364930 1138860367 /nfs/dbraw/zinc/86/03/67/1138860367.db2.gz AXFDEXSFZZVXKH-HNNXBMFYSA-N 1 2 343.471 3.721 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000338392527 1138884518 /nfs/dbraw/zinc/88/45/18/1138884518.db2.gz GRQFXYXOKBTJJD-QGZVFWFLSA-N 1 2 334.847 3.941 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000338392527 1138884524 /nfs/dbraw/zinc/88/45/24/1138884524.db2.gz GRQFXYXOKBTJJD-QGZVFWFLSA-N 1 2 334.847 3.941 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccnc1Cl ZINC000151112164 1139009221 /nfs/dbraw/zinc/00/92/21/1139009221.db2.gz MLLSFVJCOWWZFU-SNVBAGLBSA-N 1 2 345.752 3.922 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152849180 1139110195 /nfs/dbraw/zinc/11/01/95/1139110195.db2.gz WULUVOILVUSNPZ-KXBFYZLASA-N 1 2 338.455 3.553 20 0 EHADLO CCC[C@@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000889479953 1139215350 /nfs/dbraw/zinc/21/53/50/1139215350.db2.gz WVQUVHNSMJKPNS-HXUWFJFHSA-N 1 2 325.456 3.594 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000889714560 1139258518 /nfs/dbraw/zinc/25/85/18/1139258518.db2.gz JTAQRAGHQLKAPU-LJQANCHMSA-N 1 2 337.467 3.636 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890258410 1139332735 /nfs/dbraw/zinc/33/27/35/1139332735.db2.gz GCBDBVZKAQCHOU-AEFFLSMTSA-N 1 2 328.460 3.702 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nccs1 ZINC000174062946 1139397958 /nfs/dbraw/zinc/39/79/58/1139397958.db2.gz IIPRVDFEXAAKNA-DGCLKSJQSA-N 1 2 335.860 3.643 20 0 EHADLO CSc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000174233314 1139407921 /nfs/dbraw/zinc/40/79/21/1139407921.db2.gz QPVFZRMEDCJHIB-UHFFFAOYSA-N 1 2 333.457 3.538 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1C=CCC1 ZINC000174894264 1139448777 /nfs/dbraw/zinc/44/87/77/1139448777.db2.gz WLVFBRDKBQEOED-QGZVFWFLSA-N 1 2 327.472 3.503 20 0 EHADLO Cc1cscc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175617700 1139504043 /nfs/dbraw/zinc/50/40/43/1139504043.db2.gz MRRIBQVTMASHJB-GASCZTMLSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1cscc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175617700 1139504050 /nfs/dbraw/zinc/50/40/50/1139504050.db2.gz MRRIBQVTMASHJB-GASCZTMLSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1cscc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000176545990 1139564620 /nfs/dbraw/zinc/56/46/20/1139564620.db2.gz SMYMOTZCXRPYCW-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000177488282 1139622464 /nfs/dbraw/zinc/62/24/64/1139622464.db2.gz VRXYJTDHHICCDI-IXMVKTJZSA-N 1 2 327.403 3.535 20 0 EHADLO Cc1cccnc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178056940 1139666869 /nfs/dbraw/zinc/66/68/69/1139666869.db2.gz QPYMXTQJNCGGLR-QZTJIDSGSA-N 1 2 347.422 3.637 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2c(F)cccc2F)cc1OC ZINC000178498883 1139699559 /nfs/dbraw/zinc/69/95/59/1139699559.db2.gz ULSNLJYJFLNIDH-SNVBAGLBSA-N 1 2 325.330 3.972 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cs1 ZINC000179580585 1139766859 /nfs/dbraw/zinc/76/68/59/1139766859.db2.gz HNWRRMWFFOKEPJ-SECBINFHSA-N 1 2 341.383 3.554 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)n1 ZINC000179617033 1139769561 /nfs/dbraw/zinc/76/95/61/1139769561.db2.gz ZXZZWRFEYNVYID-CYBMUJFWSA-N 1 2 333.432 3.589 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1Cl ZINC000180284079 1139824360 /nfs/dbraw/zinc/82/43/60/1139824360.db2.gz VJEGGYGHKJVGFK-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1Cl ZINC000180284079 1139824365 /nfs/dbraw/zinc/82/43/65/1139824365.db2.gz VJEGGYGHKJVGFK-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO CCCCc1noc([C@H](C)[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)n1 ZINC000180635610 1139852442 /nfs/dbraw/zinc/85/24/42/1139852442.db2.gz XAPJXFPMLCHJDU-DZGCQCFKSA-N 1 2 345.443 3.985 20 0 EHADLO CCCc1noc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000180937814 1139873593 /nfs/dbraw/zinc/87/35/93/1139873593.db2.gz BSQLAICRYJOILI-NSHDSACASA-N 1 2 343.349 3.814 20 0 EHADLO CO[C@@H](C)CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000181069275 1139883327 /nfs/dbraw/zinc/88/33/27/1139883327.db2.gz CWGSGMYIUZWYLL-AWEZNQCLSA-N 1 2 327.428 3.640 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nc(C(C)C)no4)C3)nc2c1 ZINC000181147155 1139888427 /nfs/dbraw/zinc/88/84/27/1139888427.db2.gz DACYFLNOFYYDDC-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nc(C(C)C)no4)C3)nc2c1 ZINC000181147155 1139888438 /nfs/dbraw/zinc/88/84/38/1139888438.db2.gz DACYFLNOFYYDDC-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nc(C(C)C)no4)C3)[nH]c2c1 ZINC000181147155 1139888447 /nfs/dbraw/zinc/88/84/47/1139888447.db2.gz DACYFLNOFYYDDC-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nc(C(C)C)no4)C3)[nH]c2c1 ZINC000181147155 1139888455 /nfs/dbraw/zinc/88/84/55/1139888455.db2.gz DACYFLNOFYYDDC-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC000181812815 1139932999 /nfs/dbraw/zinc/93/29/99/1139932999.db2.gz KYMJUXYYQHTEQD-GFCCVEGCSA-N 1 2 342.365 3.501 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2ncc(-c3ccccc3)o2)cc1 ZINC000182402126 1139970277 /nfs/dbraw/zinc/97/02/77/1139970277.db2.gz AZNJBTWOEUPPOI-GOSISDBHSA-N 1 2 338.407 3.564 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000183008770 1140007262 /nfs/dbraw/zinc/00/72/62/1140007262.db2.gz LLIMNEWQFRMLBJ-NXEZZACHSA-N 1 2 329.322 3.647 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OC)cc1OC1CCCC1)c1nccn1C ZINC000183070830 1140011102 /nfs/dbraw/zinc/01/11/02/1140011102.db2.gz VALASTHGVRDRCZ-GOSISDBHSA-N 1 2 343.471 3.991 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](CC)c2nccn2C)c1OC(F)F ZINC000183107096 1140013670 /nfs/dbraw/zinc/01/36/70/1140013670.db2.gz WEPDMNHMPUQUEO-CYBMUJFWSA-N 1 2 339.386 3.661 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000183122424 1140014589 /nfs/dbraw/zinc/01/45/89/1140014589.db2.gz VEZKERVQTMBRCV-KKSFZXQISA-N 1 2 325.836 3.689 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000184204289 1140087713 /nfs/dbraw/zinc/08/77/13/1140087713.db2.gz RMUUCOLAKXVSQL-QGZVFWFLSA-N 1 2 330.428 3.530 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184883670 1140124014 /nfs/dbraw/zinc/12/40/14/1140124014.db2.gz JLMPJGOQSAVJIX-XHSDSOJGSA-N 1 2 341.455 3.782 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185996461 1140181330 /nfs/dbraw/zinc/18/13/30/1140181330.db2.gz SKFUSTZTFXJNOA-DNVCBOLYSA-N 1 2 327.428 3.583 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cs1 ZINC000186428009 1140203089 /nfs/dbraw/zinc/20/30/89/1140203089.db2.gz UARQJQKQHAVSIP-VIFPVBQESA-N 1 2 332.395 3.870 20 0 EHADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104436 1140239067 /nfs/dbraw/zinc/23/90/67/1140239067.db2.gz PBBUHBWAUYHNRP-DOTOQJQBSA-N 1 2 342.443 3.614 20 0 EHADLO CCCn1c(C[NH2+]Cc2nc3cc(C)ccc3n2C)nc2ccccc21 ZINC000187581924 1140262649 /nfs/dbraw/zinc/26/26/49/1140262649.db2.gz CEYQYJDHVYSHKZ-UHFFFAOYSA-N 1 2 347.466 3.931 20 0 EHADLO CCOCc1ccccc1C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187727093 1140268627 /nfs/dbraw/zinc/26/86/27/1140268627.db2.gz KKIVZRWCUFGHBR-IBGZPJMESA-N 1 2 339.414 3.965 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000188957849 1140314896 /nfs/dbraw/zinc/31/48/96/1140314896.db2.gz AKJZAPNYLIOICR-IBGZPJMESA-N 1 2 336.439 3.588 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCc3c[nH+]cn3C)CCCCC2)c1 ZINC000189878379 1140369450 /nfs/dbraw/zinc/36/94/50/1140369450.db2.gz WSRHGIAYIBJAIC-UHFFFAOYSA-N 1 2 339.483 3.679 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc2c1OCCO2 ZINC000189933468 1140372517 /nfs/dbraw/zinc/37/25/17/1140372517.db2.gz VAOYZUGEHRBVCT-OAHLLOKOSA-N 1 2 346.452 3.568 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc2c1OCCO2 ZINC000189933468 1140372524 /nfs/dbraw/zinc/37/25/24/1140372524.db2.gz VAOYZUGEHRBVCT-OAHLLOKOSA-N 1 2 346.452 3.568 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2-c2ccccc2)o1 ZINC000191502395 1140468223 /nfs/dbraw/zinc/46/82/23/1140468223.db2.gz PLNNDMGVWFCIAO-SFHVURJKSA-N 1 2 337.423 3.949 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2-c2ccccc2)o1 ZINC000191502395 1140468227 /nfs/dbraw/zinc/46/82/27/1140468227.db2.gz PLNNDMGVWFCIAO-SFHVURJKSA-N 1 2 337.423 3.949 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193317677 1140570969 /nfs/dbraw/zinc/57/09/69/1140570969.db2.gz UORFFKAXIYDPCY-JXFKEZNVSA-N 1 2 325.456 3.661 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000193519336 1140578008 /nfs/dbraw/zinc/57/80/08/1140578008.db2.gz YYINOEMIWGWNDC-QGZVFWFLSA-N 1 2 335.398 3.535 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCc1c[nH+]cn1C ZINC000193523106 1140578298 /nfs/dbraw/zinc/57/82/98/1140578298.db2.gz QASBQRYAPSZQJU-INIZCTEOSA-N 1 2 340.471 3.679 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194129166 1140598942 /nfs/dbraw/zinc/59/89/42/1140598942.db2.gz BRABFAZLNIILSZ-SJLPKXTDSA-N 1 2 329.488 3.503 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cs1 ZINC000266184474 1140652155 /nfs/dbraw/zinc/65/21/55/1140652155.db2.gz GWJHBEJSYXZKMZ-JTQLQIEISA-N 1 2 328.384 3.742 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)cs2)C[C@@H]2CCCO2)c1 ZINC000266580120 1140705278 /nfs/dbraw/zinc/70/52/78/1140705278.db2.gz HRSUOOOPJVIALK-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)cs2)C[C@@H]2CCCO2)c1 ZINC000266580120 1140705284 /nfs/dbraw/zinc/70/52/84/1140705284.db2.gz HRSUOOOPJVIALK-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO CCC1(O)CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000266727324 1140719398 /nfs/dbraw/zinc/71/93/98/1140719398.db2.gz JNIDZYRNLVHJBH-UHFFFAOYSA-N 1 2 331.485 3.932 20 0 EHADLO Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266883752 1140733020 /nfs/dbraw/zinc/73/30/20/1140733020.db2.gz PPLOUQLOGXJSAI-FQEVSTJZSA-N 1 2 348.450 3.637 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364199 1140783554 /nfs/dbraw/zinc/78/35/54/1140783554.db2.gz ITVSRAYQQRCPNL-SUMWQHHRSA-N 1 2 329.831 3.533 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364199 1140783557 /nfs/dbraw/zinc/78/35/57/1140783557.db2.gz ITVSRAYQQRCPNL-SUMWQHHRSA-N 1 2 329.831 3.533 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)NCCNc1cccc[nH+]1 ZINC000267747565 1140828170 /nfs/dbraw/zinc/82/81/70/1140828170.db2.gz BRQZRLWBWFKBFR-UHFFFAOYSA-N 1 2 335.860 3.689 20 0 EHADLO C[C@H]1CC/C(=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267863134 1140844868 /nfs/dbraw/zinc/84/48/68/1140844868.db2.gz OOPTZEVCZKHSFU-XERWBJCMSA-N 1 2 325.412 3.647 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268026217 1140869037 /nfs/dbraw/zinc/86/90/37/1140869037.db2.gz KXHWICXEQVZBPF-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268026217 1140869047 /nfs/dbraw/zinc/86/90/47/1140869047.db2.gz KXHWICXEQVZBPF-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000268174342 1140897478 /nfs/dbraw/zinc/89/74/78/1140897478.db2.gz VJPVLUSXUWWZEZ-UHFFFAOYSA-N 1 2 328.437 3.581 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000268344206 1140923996 /nfs/dbraw/zinc/92/39/96/1140923996.db2.gz BJKRDNBXJLKQRH-CABCVRRESA-N 1 2 333.432 3.654 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000268344206 1140924000 /nfs/dbraw/zinc/92/40/00/1140924000.db2.gz BJKRDNBXJLKQRH-CABCVRRESA-N 1 2 333.432 3.654 20 0 EHADLO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268347169 1140924392 /nfs/dbraw/zinc/92/43/92/1140924392.db2.gz CEFGVYLEZYIHNI-CJNGLKHVSA-N 1 2 349.887 3.738 20 0 EHADLO Cc1ccc(Br)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268616202 1140962365 /nfs/dbraw/zinc/96/23/65/1140962365.db2.gz NJTRJNKRDMELLD-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1nnc2n1CCCCC2 ZINC000268883789 1141017625 /nfs/dbraw/zinc/01/76/25/1141017625.db2.gz XFYRXEMZLDWKQO-DYVFJYSZSA-N 1 2 346.450 3.954 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1nnc2n1CCCCC2 ZINC000268883796 1141017930 /nfs/dbraw/zinc/01/79/30/1141017930.db2.gz XFYRXEMZLDWKQO-SUMWQHHRSA-N 1 2 346.450 3.954 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc([S@@](C)=O)cc1 ZINC000268959333 1141034483 /nfs/dbraw/zinc/03/44/83/1141034483.db2.gz FGRYEQZZCTZXIB-PVBMHHQDSA-N 1 2 348.415 3.750 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000269071725 1141060591 /nfs/dbraw/zinc/06/05/91/1141060591.db2.gz MYVWYDRBUZUROO-GFCCVEGCSA-N 1 2 335.473 3.838 20 0 EHADLO CC[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1cnn(C)c1 ZINC000269134101 1141070654 /nfs/dbraw/zinc/07/06/54/1141070654.db2.gz ZZQYPXZLSAYNFY-SFHVURJKSA-N 1 2 340.496 3.903 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)s1 ZINC000269280067 1141087867 /nfs/dbraw/zinc/08/78/67/1141087867.db2.gz KCEFXCJNMPPHOQ-CQSZACIVSA-N 1 2 335.494 3.664 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1cccs1)[NH+]1CCSCC1 ZINC000269692267 1141136207 /nfs/dbraw/zinc/13/62/07/1141136207.db2.gz HLECYUKTZDKYIR-CYBMUJFWSA-N 1 2 332.494 3.791 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000269754647 1141141715 /nfs/dbraw/zinc/14/17/15/1141141715.db2.gz TYPRVWTYKQXMQZ-QWHCGFSZSA-N 1 2 333.382 3.588 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCCC2=CCCC2)c1)[NH+]1CCOCC1 ZINC000269827525 1141148267 /nfs/dbraw/zinc/14/82/67/1141148267.db2.gz BXNHCARGMYHKNG-MRXNPFEDSA-N 1 2 343.471 3.702 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000269883228 1141153652 /nfs/dbraw/zinc/15/36/52/1141153652.db2.gz ZTCDWOXKRIMDOO-IAGOWNOFSA-N 1 2 340.471 3.509 20 0 EHADLO CC(C)(C)C1=CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000270331662 1141207534 /nfs/dbraw/zinc/20/75/34/1141207534.db2.gz BXQFOKKNMBFHJW-UHFFFAOYSA-N 1 2 342.487 3.570 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270346174 1141210260 /nfs/dbraw/zinc/21/02/60/1141210260.db2.gz VMOMAEDCMYFEQH-GFCCVEGCSA-N 1 2 344.352 3.540 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270346174 1141210263 /nfs/dbraw/zinc/21/02/63/1141210263.db2.gz VMOMAEDCMYFEQH-GFCCVEGCSA-N 1 2 344.352 3.540 20 0 EHADLO CCC[N@@H+](Cc1ncc(C2CC2)o1)C[C@@H]1COc2ccccc2O1 ZINC000270602928 1141243775 /nfs/dbraw/zinc/24/37/75/1141243775.db2.gz MBTBFFGCNFJXHC-OAHLLOKOSA-N 1 2 328.412 3.604 20 0 EHADLO CCC[N@H+](Cc1ncc(C2CC2)o1)C[C@@H]1COc2ccccc2O1 ZINC000270602928 1141243780 /nfs/dbraw/zinc/24/37/80/1141243780.db2.gz MBTBFFGCNFJXHC-OAHLLOKOSA-N 1 2 328.412 3.604 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000270868315 1141278482 /nfs/dbraw/zinc/27/84/82/1141278482.db2.gz IVHUQLCIJANLJC-UHFFFAOYSA-N 1 2 347.409 3.522 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000270920646 1141283363 /nfs/dbraw/zinc/28/33/63/1141283363.db2.gz FKYIQFQEIVOLEP-CHWSQXEVSA-N 1 2 339.361 3.600 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000270996548 1141291789 /nfs/dbraw/zinc/29/17/89/1141291789.db2.gz JKVDFRJLKGDNAL-CYBMUJFWSA-N 1 2 340.452 3.540 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000270996548 1141291791 /nfs/dbraw/zinc/29/17/91/1141291791.db2.gz JKVDFRJLKGDNAL-CYBMUJFWSA-N 1 2 340.452 3.540 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1)[NH+]1CCOCC1 ZINC000271111385 1141308762 /nfs/dbraw/zinc/30/87/62/1141308762.db2.gz BKKREJVLIWCPMC-BRWVUGGUSA-N 1 2 345.487 3.732 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1O ZINC000271134291 1141312035 /nfs/dbraw/zinc/31/20/35/1141312035.db2.gz RJKQCPCYMZWOHV-KRWDZBQOSA-N 1 2 337.423 3.625 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1O ZINC000271134291 1141312042 /nfs/dbraw/zinc/31/20/42/1141312042.db2.gz RJKQCPCYMZWOHV-KRWDZBQOSA-N 1 2 337.423 3.625 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271144001 1141313925 /nfs/dbraw/zinc/31/39/25/1141313925.db2.gz GKPQQIVQOCDKNJ-UHFFFAOYSA-N 1 2 349.862 3.541 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc(F)c1F ZINC000271225977 1141329287 /nfs/dbraw/zinc/32/92/87/1141329287.db2.gz QZXKQGHIQXIQHP-GFCCVEGCSA-N 1 2 337.345 3.744 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc(F)c1F ZINC000271225977 1141329292 /nfs/dbraw/zinc/32/92/92/1141329292.db2.gz QZXKQGHIQXIQHP-GFCCVEGCSA-N 1 2 337.345 3.744 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC2(CCCC2)c2ccccc21 ZINC000271305883 1141342530 /nfs/dbraw/zinc/34/25/30/1141342530.db2.gz KANMPGJGJJRROC-UHFFFAOYSA-N 1 2 344.418 3.740 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000271497108 1141381286 /nfs/dbraw/zinc/38/12/86/1141381286.db2.gz COHIMBAOWASXLM-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1 ZINC000271497108 1141381292 /nfs/dbraw/zinc/38/12/92/1141381292.db2.gz COHIMBAOWASXLM-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)[nH]n1 ZINC000271649579 1141412603 /nfs/dbraw/zinc/41/26/03/1141412603.db2.gz UTLVQQRYDHSELT-UHFFFAOYSA-N 1 2 328.441 3.814 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000273942799 1141450622 /nfs/dbraw/zinc/45/06/22/1141450622.db2.gz KJTJJZHNSJBJOX-GOSISDBHSA-N 1 2 342.439 3.571 20 0 EHADLO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)c3ccccn3)nc12 ZINC000274120637 1141476919 /nfs/dbraw/zinc/47/69/19/1141476919.db2.gz AMRVIMNEJGOHMO-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000274338293 1141499107 /nfs/dbraw/zinc/49/91/07/1141499107.db2.gz CTRTYURPAOLSCS-OAQYLSRUSA-N 1 2 346.434 3.505 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000339132490 1141505574 /nfs/dbraw/zinc/50/55/74/1141505574.db2.gz JVAAZJZQHFVXBF-UHFFFAOYSA-N 1 2 333.461 3.506 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1cccc(O)c1Cl ZINC000339182455 1141520757 /nfs/dbraw/zinc/52/07/57/1141520757.db2.gz LLDKHPOHLJIKPP-UHFFFAOYSA-N 1 2 345.805 3.969 20 0 EHADLO Cc1cncc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000274440417 1141529394 /nfs/dbraw/zinc/52/93/94/1141529394.db2.gz XHDUVVIOGFCJFU-JYJNAYRXSA-N 1 2 326.444 3.572 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cnc(-c2ccco2)s1 ZINC000348836563 1141592891 /nfs/dbraw/zinc/59/28/91/1141592891.db2.gz DHFGWZISORXINR-UHFFFAOYSA-N 1 2 347.484 3.628 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc(-c2ccco2)s1 ZINC000348836563 1141592897 /nfs/dbraw/zinc/59/28/97/1141592897.db2.gz DHFGWZISORXINR-UHFFFAOYSA-N 1 2 347.484 3.628 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000348846480 1141595613 /nfs/dbraw/zinc/59/56/13/1141595613.db2.gz FFVKGDKDOKCGHT-MRXNPFEDSA-N 1 2 336.439 3.768 20 0 EHADLO O=C(CSCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)cc1 ZINC000348880523 1141603018 /nfs/dbraw/zinc/60/30/18/1141603018.db2.gz OBQNSBLESGAAOG-UHFFFAOYSA-N 1 2 341.411 3.883 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000097941248 219061237 /nfs/dbraw/zinc/06/12/37/219061237.db2.gz HLTGIYWURCYNCA-AWEZNQCLSA-N 1 2 325.441 3.574 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000097941248 219061239 /nfs/dbraw/zinc/06/12/39/219061239.db2.gz HLTGIYWURCYNCA-AWEZNQCLSA-N 1 2 325.441 3.574 20 0 EHADLO COC(=O)[C@H]([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000037972041 213177113 /nfs/dbraw/zinc/17/71/13/213177113.db2.gz WVOCFCPNDCMGKY-CQSZACIVSA-N 1 2 326.234 3.586 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000079182161 217200015 /nfs/dbraw/zinc/20/00/15/217200015.db2.gz VFDTUOXSELJDEW-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)c1cc2cc(Br)ccc2o1 ZINC000037017166 525540377 /nfs/dbraw/zinc/54/03/77/525540377.db2.gz NVABXMOAJKCHDK-UWVGGRQHSA-N 1 2 349.232 3.736 20 0 EHADLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3ccccc3C)CC2)c1 ZINC000363377562 525856541 /nfs/dbraw/zinc/85/65/41/525856541.db2.gz DYLRWXCMUAJYPY-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3C)CC2)c1 ZINC000363377562 525856548 /nfs/dbraw/zinc/85/65/48/525856548.db2.gz DYLRWXCMUAJYPY-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1Cl ZINC000820432242 599393405 /nfs/dbraw/zinc/39/34/05/599393405.db2.gz NILMMBHRSKZSHC-QMMMGPOBSA-N 1 2 338.198 3.617 20 0 EHADLO c1ccc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[nH+]c1 ZINC000826522431 608295204 /nfs/dbraw/zinc/29/52/04/608295204.db2.gz ZNXOQKJWUJAJOB-UHFFFAOYSA-N 1 2 328.379 3.541 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826269465 609158752 /nfs/dbraw/zinc/15/87/52/609158752.db2.gz MYKPNIHXLXJUKY-HNNXBMFYSA-N 1 2 348.454 3.948 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000579729242 1014305548 /nfs/dbraw/zinc/30/55/48/1014305548.db2.gz MXXCILVUSXOSJT-QFIPXVFZSA-N 1 2 349.478 3.684 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000579729242 1014305557 /nfs/dbraw/zinc/30/55/57/1014305557.db2.gz MXXCILVUSXOSJT-QFIPXVFZSA-N 1 2 349.478 3.684 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000430157536 1014460311 /nfs/dbraw/zinc/46/03/11/1014460311.db2.gz QWLCNIFZMJRZGG-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000430157536 1014460321 /nfs/dbraw/zinc/46/03/21/1014460321.db2.gz QWLCNIFZMJRZGG-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000654847238 1014479668 /nfs/dbraw/zinc/47/96/68/1014479668.db2.gz DXTCMOCBBCQMTR-VBQJREDUSA-N 1 2 329.444 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000654847238 1014479672 /nfs/dbraw/zinc/47/96/72/1014479672.db2.gz DXTCMOCBBCQMTR-VBQJREDUSA-N 1 2 329.444 3.744 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+](CCOC)Cc1ccccn1 ZINC000349034022 1014499514 /nfs/dbraw/zinc/49/95/14/1014499514.db2.gz BYGJCIZTVARQLF-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+](CCOC)Cc1ccccn1 ZINC000349034022 1014499518 /nfs/dbraw/zinc/49/95/18/1014499518.db2.gz BYGJCIZTVARQLF-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO Brc1ncc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)s1 ZINC001139913478 1014715391 /nfs/dbraw/zinc/71/53/91/1014715391.db2.gz CNRJHFCFYQBEGB-NSHDSACASA-N 1 2 338.274 3.680 20 0 EHADLO Brc1ncc(C[N@H+]2CCC[C@H](c3ccccn3)C2)s1 ZINC001139913478 1014715396 /nfs/dbraw/zinc/71/53/96/1014715396.db2.gz CNRJHFCFYQBEGB-NSHDSACASA-N 1 2 338.274 3.680 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339541520 1014756705 /nfs/dbraw/zinc/75/67/05/1014756705.db2.gz XBZBTVPSSTYSHM-GDBMZVCRSA-N 1 2 346.862 3.724 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1(C)C ZINC000655052681 1014884548 /nfs/dbraw/zinc/88/45/48/1014884548.db2.gz AVHSSNXGBRRBQP-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1(C)C ZINC000655052681 1014884557 /nfs/dbraw/zinc/88/45/57/1014884557.db2.gz AVHSSNXGBRRBQP-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3[C@@H]4c5cccc(Cl)c5C[C@H]34)ccc2[nH+]1 ZINC000528343935 1032104590 /nfs/dbraw/zinc/10/45/90/1032104590.db2.gz FVXCSOKFUUMQFE-BMGDILEWSA-N 1 2 337.810 3.821 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000023666540 1014924369 /nfs/dbraw/zinc/92/43/69/1014924369.db2.gz RDGMQFZDICJVFX-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000023666540 1014924383 /nfs/dbraw/zinc/92/43/83/1014924383.db2.gz RDGMQFZDICJVFX-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cn1cc[nH+]c1 ZINC000728198070 1014945882 /nfs/dbraw/zinc/94/58/82/1014945882.db2.gz CJPVXGWYSAJYEW-NSHDSACASA-N 1 2 335.333 3.593 20 0 EHADLO CC[C@H]1CCCCC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182500156 1032105547 /nfs/dbraw/zinc/10/55/47/1032105547.db2.gz DOUAUAKOGFMJLS-HNNXBMFYSA-N 1 2 344.484 3.945 20 0 EHADLO CC[C@H]1CCCCC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182500156 1032105561 /nfs/dbraw/zinc/10/55/61/1032105561.db2.gz DOUAUAKOGFMJLS-HNNXBMFYSA-N 1 2 344.484 3.945 20 0 EHADLO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274762074 1014986911 /nfs/dbraw/zinc/98/69/11/1014986911.db2.gz DXNIGAXFRGEQFN-JTDSTZFVSA-N 1 2 345.487 3.732 20 0 EHADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274762070 1014994259 /nfs/dbraw/zinc/99/42/59/1014994259.db2.gz DXNIGAXFRGEQFN-FRQCXROJSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cc1 ZINC000510096057 1015028282 /nfs/dbraw/zinc/02/82/82/1015028282.db2.gz WKIBPIHRUVHOHX-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)cc1 ZINC000510096057 1015028293 /nfs/dbraw/zinc/02/82/93/1015028293.db2.gz WKIBPIHRUVHOHX-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000014923554 1015075881 /nfs/dbraw/zinc/07/58/81/1015075881.db2.gz HALFETHHVSZOJD-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000014923554 1015075905 /nfs/dbraw/zinc/07/59/05/1015075905.db2.gz HALFETHHVSZOJD-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)CSc3ccccc3)ccn12 ZINC000655161863 1015170296 /nfs/dbraw/zinc/17/02/96/1015170296.db2.gz DCMTWWNSYHOQNG-HNNXBMFYSA-N 1 2 339.464 3.896 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000655165046 1015189522 /nfs/dbraw/zinc/18/95/22/1015189522.db2.gz WQIFSEUMLXBGRY-KUHUBIRLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000655165046 1015189528 /nfs/dbraw/zinc/18/95/28/1015189528.db2.gz WQIFSEUMLXBGRY-KUHUBIRLSA-N 1 2 345.874 3.866 20 0 EHADLO C/C(=C/C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000254950685 1015220037 /nfs/dbraw/zinc/22/00/37/1015220037.db2.gz QLGDWZURPOJVJI-RAXLEYEMSA-N 1 2 325.799 3.707 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000069518916 1015334648 /nfs/dbraw/zinc/33/46/48/1015334648.db2.gz QKDQIIPHMMQDHG-NSHDSACASA-N 1 2 334.217 3.883 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000069518916 1015334654 /nfs/dbraw/zinc/33/46/54/1015334654.db2.gz QKDQIIPHMMQDHG-NSHDSACASA-N 1 2 334.217 3.883 20 0 EHADLO CCc1oc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1C(=O)[O-] ZINC001597799049 989376289 /nfs/dbraw/zinc/37/62/89/989376289.db2.gz NZQLRKMSJJVWDA-UHFFFAOYSA-N 1 2 336.476 3.675 20 0 EHADLO Cc1ccnc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)n1 ZINC000339662611 1015478976 /nfs/dbraw/zinc/47/89/76/1015478976.db2.gz KJCWQALUKLAJIA-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nnc(C(C)C)s2)cc(Cl)c1O ZINC000459432532 1032117504 /nfs/dbraw/zinc/11/75/04/1032117504.db2.gz GDPZGFBOOUEWRU-UHFFFAOYSA-N 1 2 341.864 3.709 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C(C)C)Nc4ccccc43)ccn12 ZINC000655392184 1015521640 /nfs/dbraw/zinc/52/16/40/1015521640.db2.gz SBNWZOYNFXIHQR-KRWDZBQOSA-N 1 2 334.423 3.740 20 0 EHADLO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1csc(Cl)n1 ZINC001139977790 1015584430 /nfs/dbraw/zinc/58/44/30/1015584430.db2.gz ZGXYNARTXWVGAM-UHFFFAOYSA-N 1 2 335.782 3.885 20 0 EHADLO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1csc(Cl)n1 ZINC001139977790 1015584438 /nfs/dbraw/zinc/58/44/38/1015584438.db2.gz ZGXYNARTXWVGAM-UHFFFAOYSA-N 1 2 335.782 3.885 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204432787 1015585455 /nfs/dbraw/zinc/58/54/55/1015585455.db2.gz RLSBWVXBLLLOLE-CQSZACIVSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204432787 1015585462 /nfs/dbraw/zinc/58/54/62/1015585462.db2.gz RLSBWVXBLLLOLE-CQSZACIVSA-N 1 2 331.334 3.503 20 0 EHADLO Cc1cn2cc(NC(=O)c3nc(-c4cccc(C)c4)[nH]c3C)ccc2[nH+]1 ZINC000339823487 1015704110 /nfs/dbraw/zinc/70/41/10/1015704110.db2.gz UHWKYNSGZHNGDH-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094598 1015737975 /nfs/dbraw/zinc/73/79/75/1015737975.db2.gz VYQZRCWDOSBIKJ-GOSISDBHSA-N 1 2 347.842 3.955 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094598 1015737978 /nfs/dbraw/zinc/73/79/78/1015737978.db2.gz VYQZRCWDOSBIKJ-GOSISDBHSA-N 1 2 347.842 3.955 20 0 EHADLO OC[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000547744071 1015780934 /nfs/dbraw/zinc/78/09/34/1015780934.db2.gz SKPKWVYFZNEPGF-OAHLLOKOSA-N 1 2 331.284 3.807 20 0 EHADLO CN(c1nc(COc2cccc(-n3cc[nH+]c3)c2)cs1)C1CC1 ZINC000151805141 1032128938 /nfs/dbraw/zinc/12/89/38/1032128938.db2.gz RYZIYTVPSZJSTN-UHFFFAOYSA-N 1 2 326.425 3.506 20 0 EHADLO CC(C)n1cc(C[N@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000180037980 1015837157 /nfs/dbraw/zinc/83/71/57/1015837157.db2.gz PZJJVBVSTPQIDP-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000180037980 1015837166 /nfs/dbraw/zinc/83/71/66/1015837166.db2.gz PZJJVBVSTPQIDP-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@H+](Cc3noc(C4CCC4)n3)C2)cc1 ZINC000625186648 1015877013 /nfs/dbraw/zinc/87/70/13/1015877013.db2.gz CSMFCXWIOWGNFG-INIZCTEOSA-N 1 2 341.455 3.800 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3noc(C4CCC4)n3)C2)cc1 ZINC000625186648 1015877021 /nfs/dbraw/zinc/87/70/21/1015877021.db2.gz CSMFCXWIOWGNFG-INIZCTEOSA-N 1 2 341.455 3.800 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000016343563 1015916482 /nfs/dbraw/zinc/91/64/82/1015916482.db2.gz GEGWQCJFWJMSFT-JTQLQIEISA-N 1 2 328.890 3.600 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000016343563 1015916492 /nfs/dbraw/zinc/91/64/92/1015916492.db2.gz GEGWQCJFWJMSFT-JTQLQIEISA-N 1 2 328.890 3.600 20 0 EHADLO COC(=O)c1c(C)cc(C)[nH+]c1N(C)[C@H](C)c1ccccc1OC ZINC001167106548 1016042265 /nfs/dbraw/zinc/04/22/65/1016042265.db2.gz ZBEIKUPPLAXVQW-CQSZACIVSA-N 1 2 328.412 3.691 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1 ZINC000081317672 1016051541 /nfs/dbraw/zinc/05/15/41/1016051541.db2.gz XEPXNMYRJPDMAN-JXOMPUQVSA-N 1 2 337.467 3.957 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000275135543 1016087506 /nfs/dbraw/zinc/08/75/06/1016087506.db2.gz ZNEZDESPTCOEAV-WDEREUQCSA-N 1 2 341.242 3.639 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC001204438108 1016107765 /nfs/dbraw/zinc/10/77/65/1016107765.db2.gz HTEMPCLGCMVAQY-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000151819143 1032141488 /nfs/dbraw/zinc/14/14/88/1032141488.db2.gz MMZCQXZANXOSMP-SMDDNHRTSA-N 1 2 349.887 3.815 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047616700 1016206938 /nfs/dbraw/zinc/20/69/38/1016206938.db2.gz QGZYYAZDDBEIKH-INIZCTEOSA-N 1 2 332.492 3.564 20 0 EHADLO Cc1cccc2c(Cl)nnc(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167125965 1016207829 /nfs/dbraw/zinc/20/78/29/1016207829.db2.gz LVTSAEWROQGWAX-UHFFFAOYSA-N 1 2 327.819 3.630 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668270212 1016237614 /nfs/dbraw/zinc/23/76/14/1016237614.db2.gz DHLRLFWXOQPOOP-LLVKDONJSA-N 1 2 335.860 3.850 20 0 EHADLO Cc1cc(N2CCO[C@](C)(c3ccc(F)cc3)C2)nc(C2CC2)[nH+]1 ZINC001167141913 1016293447 /nfs/dbraw/zinc/29/34/47/1016293447.db2.gz XUKZWBUDCVPAAN-IBGZPJMESA-N 1 2 327.403 3.554 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000683348492 1016305629 /nfs/dbraw/zinc/30/56/29/1016305629.db2.gz VKVCUKLQCMZIAF-UHFFFAOYSA-N 1 2 327.403 3.661 20 0 EHADLO COc1ccc(F)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1Cl ZINC001143377536 1016314739 /nfs/dbraw/zinc/31/47/39/1016314739.db2.gz YTHRGHJYBNZEJO-CYBMUJFWSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(F)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1Cl ZINC001143377536 1016314747 /nfs/dbraw/zinc/31/47/47/1016314747.db2.gz YTHRGHJYBNZEJO-CYBMUJFWSA-N 1 2 335.806 3.923 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cncs1 ZINC000340135602 1016408865 /nfs/dbraw/zinc/40/88/65/1016408865.db2.gz LEWJIOYBMWMQGC-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cncs1 ZINC000340135602 1016408879 /nfs/dbraw/zinc/40/88/79/1016408879.db2.gz LEWJIOYBMWMQGC-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCc4c(cccc4C(C)C)C3)[nH+]c12 ZINC000530560370 1016409605 /nfs/dbraw/zinc/40/96/05/1016409605.db2.gz VCTUYFBAEVVYDL-UHFFFAOYSA-N 1 2 347.462 3.894 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3C)cc2[nH+]1 ZINC000340155046 1016513425 /nfs/dbraw/zinc/51/34/25/1016513425.db2.gz YGFUWJOOAJRSGD-UHFFFAOYSA-N 1 2 335.816 3.634 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nc(C(C)(C)C)no1 ZINC000613560360 1016546280 /nfs/dbraw/zinc/54/62/80/1016546280.db2.gz WIIPBGPREPYQDG-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nc(C(C)(C)C)no1 ZINC000613560360 1016546289 /nfs/dbraw/zinc/54/62/89/1016546289.db2.gz WIIPBGPREPYQDG-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275362157 1016562358 /nfs/dbraw/zinc/56/23/58/1016562358.db2.gz WMQSJFXYYVQGQO-RDTXWAMCSA-N 1 2 342.443 3.585 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1nc2c(s1)CCCC2 ZINC000605593913 1016569486 /nfs/dbraw/zinc/56/94/86/1016569486.db2.gz POZLWAXDOSKSQT-LBPRGKRZSA-N 1 2 326.469 3.759 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@@H](c3nnc[nH]3)c3ccc(F)cc3)c21 ZINC000340240423 1016766389 /nfs/dbraw/zinc/76/63/89/1016766389.db2.gz OSZZEUTUQAAHIV-LJQANCHMSA-N 1 2 349.413 3.655 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC000376600493 1016773950 /nfs/dbraw/zinc/77/39/50/1016773950.db2.gz SSGCVWDMTODARS-HNNXBMFYSA-N 1 2 348.878 3.998 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000431834955 1016812457 /nfs/dbraw/zinc/81/24/57/1016812457.db2.gz ODSZXPCMNCYDOL-UHFFFAOYSA-N 1 2 336.395 3.697 20 0 EHADLO CCOCOc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000782968897 1016897331 /nfs/dbraw/zinc/89/73/31/1016897331.db2.gz ZYXAGVZUUSHZBR-CYBMUJFWSA-N 1 2 336.457 3.513 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121167371 1016899996 /nfs/dbraw/zinc/89/99/96/1016899996.db2.gz AJBXLWPVDDCJIP-LJQANCHMSA-N 1 2 349.482 3.651 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121167371 1016900009 /nfs/dbraw/zinc/90/00/09/1016900009.db2.gz AJBXLWPVDDCJIP-LJQANCHMSA-N 1 2 349.482 3.651 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000098102005 1016982303 /nfs/dbraw/zinc/98/23/03/1016982303.db2.gz XHJCWHQMYOOUFY-LBPRGKRZSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000098102005 1016982315 /nfs/dbraw/zinc/98/23/15/1016982315.db2.gz XHJCWHQMYOOUFY-LBPRGKRZSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cs1 ZINC000275534620 1016999424 /nfs/dbraw/zinc/99/94/24/1016999424.db2.gz XSUOQCABULIANB-INIZCTEOSA-N 1 2 331.485 3.788 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cs1 ZINC000275534620 1016999438 /nfs/dbraw/zinc/99/94/38/1016999438.db2.gz XSUOQCABULIANB-INIZCTEOSA-N 1 2 331.485 3.788 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)oc1C ZINC000590111384 1017021671 /nfs/dbraw/zinc/02/16/71/1017021671.db2.gz IQBZAJBLESKQFH-LIRRHRJNSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)oc1C ZINC000590111384 1017021683 /nfs/dbraw/zinc/02/16/83/1017021683.db2.gz IQBZAJBLESKQFH-LIRRHRJNSA-N 1 2 343.423 3.818 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000376740654 1017043447 /nfs/dbraw/zinc/04/34/47/1017043447.db2.gz XMJQABSRPIRBFD-OAHLLOKOSA-N 1 2 348.878 3.998 20 0 EHADLO FC(F)(F)c1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000659819062 1017067261 /nfs/dbraw/zinc/06/72/61/1017067261.db2.gz CBMMPTHYXIALST-GFCCVEGCSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1nnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000659819062 1017067273 /nfs/dbraw/zinc/06/72/73/1017067273.db2.gz CBMMPTHYXIALST-GFCCVEGCSA-N 1 2 327.375 3.764 20 0 EHADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000343751670 1032165945 /nfs/dbraw/zinc/16/59/45/1032165945.db2.gz JMMGWNBQFJZOLD-GOSISDBHSA-N 1 2 331.847 3.926 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)c1 ZINC000183396762 1032167887 /nfs/dbraw/zinc/16/78/87/1032167887.db2.gz PWMDXBPCYOAZEW-HNNXBMFYSA-N 1 2 345.399 3.591 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)c1 ZINC000183396762 1032167894 /nfs/dbraw/zinc/16/78/94/1032167894.db2.gz PWMDXBPCYOAZEW-HNNXBMFYSA-N 1 2 345.399 3.591 20 0 EHADLO CCC[C@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000183254976 1032185931 /nfs/dbraw/zinc/18/59/31/1032185931.db2.gz KTJZKYUZNWFOGB-HIFRSBDPSA-N 1 2 331.391 3.545 20 0 EHADLO CC[NH+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708980 1032186648 /nfs/dbraw/zinc/18/66/48/1032186648.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 2 348.494 3.907 20 0 EHADLO CC[NH+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708980 1032186650 /nfs/dbraw/zinc/18/66/50/1032186650.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 2 348.494 3.907 20 0 EHADLO Cc1nc2[nH]ccc2c(NCC2(c3ccc(F)cc3)CCOCC2)[nH+]1 ZINC000080805140 1032209434 /nfs/dbraw/zinc/20/94/34/1032209434.db2.gz UYJZUGACWCMSQI-UHFFFAOYSA-N 1 2 340.402 3.566 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(CO)ccc2F)[C@H](C)CO1 ZINC000528387454 1032211455 /nfs/dbraw/zinc/21/14/55/1032211455.db2.gz GRXYWEKOGFIAEV-FOIQADDNSA-N 1 2 329.415 3.588 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)[C@H](C)CO1 ZINC000528387454 1032211464 /nfs/dbraw/zinc/21/14/64/1032211464.db2.gz GRXYWEKOGFIAEV-FOIQADDNSA-N 1 2 329.415 3.588 20 0 EHADLO CC1=C(C)C[C@@](C)(c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)CC1 ZINC000904741395 1032224205 /nfs/dbraw/zinc/22/42/05/1032224205.db2.gz JNPWABLSKWMHQG-UGSOOPFHSA-N 1 2 335.448 3.579 20 0 EHADLO Fc1ccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000080958704 1032230047 /nfs/dbraw/zinc/23/00/47/1032230047.db2.gz IOYXMQQCMDTYNP-GFCCVEGCSA-N 1 2 338.224 3.691 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000683516494 1017243844 /nfs/dbraw/zinc/24/38/44/1017243844.db2.gz DTXQIWWVILPYQK-HKUYNNGSSA-N 1 2 343.430 3.624 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccco1 ZINC000528409672 1032250122 /nfs/dbraw/zinc/25/01/22/1032250122.db2.gz NIMTZUFDJCRYSR-CVEARBPZSA-N 1 2 344.430 3.818 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c(F)c1 ZINC000528427998 1032262460 /nfs/dbraw/zinc/26/24/60/1032262460.db2.gz XNDRSHFNGMAYRS-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c(F)c1 ZINC000528427998 1032262466 /nfs/dbraw/zinc/26/24/66/1032262466.db2.gz XNDRSHFNGMAYRS-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3c2CCCC3)cc(Cl)c1O ZINC000459562084 1032269601 /nfs/dbraw/zinc/26/96/01/1032269601.db2.gz ADTAHVADXVNYRO-UHFFFAOYSA-N 1 2 336.819 3.601 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2cccs2)C(C)(C)CO)c(C)[nH+]1 ZINC000459587455 1032287608 /nfs/dbraw/zinc/28/76/08/1032287608.db2.gz VICGXAJZLMPXFC-INIZCTEOSA-N 1 2 347.484 3.950 20 0 EHADLO CC[N@H+](CC(=O)N1CC2(CCC2)[C@H]1C1CC1)Cc1ccccc1Cl ZINC000461184988 1032316345 /nfs/dbraw/zinc/31/63/45/1032316345.db2.gz AVZRVASUEMWEFD-LJQANCHMSA-N 1 2 346.902 3.953 20 0 EHADLO CC[N@@H+](CC(=O)N1CC2(CCC2)[C@H]1C1CC1)Cc1ccccc1Cl ZINC000461184988 1032316352 /nfs/dbraw/zinc/31/63/52/1032316352.db2.gz AVZRVASUEMWEFD-LJQANCHMSA-N 1 2 346.902 3.953 20 0 EHADLO OCCC1C[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000459597557 1032317386 /nfs/dbraw/zinc/31/73/86/1032317386.db2.gz VBZPSXFBLLRXLA-UHFFFAOYSA-N 1 2 327.268 3.538 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886391 1032327208 /nfs/dbraw/zinc/32/72/08/1032327208.db2.gz KYSORGOSHGBXRO-KGLIPLIRSA-N 1 2 329.444 3.686 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)c1ccccc1 ZINC000538388017 1032332125 /nfs/dbraw/zinc/33/21/25/1032332125.db2.gz YGJIDSLSOIGFMM-SJORKVTESA-N 1 2 333.435 3.853 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CCCC12CC2 ZINC000528465960 1032334988 /nfs/dbraw/zinc/33/49/88/1032334988.db2.gz RDBLNAGSYVFKHP-QGZVFWFLSA-N 1 2 327.472 3.659 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)oc1C ZINC000459627433 1032342368 /nfs/dbraw/zinc/34/23/68/1032342368.db2.gz BOPFNBBDMFAFLN-VHSXEESVSA-N 1 2 334.441 3.732 20 0 EHADLO CC[C@](O)(C[NH2+][C@@H](c1cccc(F)c1)c1ccccn1)C(F)(F)F ZINC000905189865 1032367387 /nfs/dbraw/zinc/36/73/87/1032367387.db2.gz ILQLOYPRIUQSSD-HOTGVXAUSA-N 1 2 342.336 3.603 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000449297357 1032415688 /nfs/dbraw/zinc/41/56/88/1032415688.db2.gz CLRQPCCSLBWXJT-DNVCBOLYSA-N 1 2 349.471 3.707 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000449297352 1032415479 /nfs/dbraw/zinc/41/54/79/1032415479.db2.gz CLRQPCCSLBWXJT-BEFAXECRSA-N 1 2 349.471 3.707 20 0 EHADLO C[C@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(F)c3C2)CCO1 ZINC000459711027 1032440482 /nfs/dbraw/zinc/44/04/82/1032440482.db2.gz LSZYQGLMNSKIJD-HNNXBMFYSA-N 1 2 326.415 3.567 20 0 EHADLO C[C@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(F)c3C2)CCO1 ZINC000459711027 1032440485 /nfs/dbraw/zinc/44/04/85/1032440485.db2.gz LSZYQGLMNSKIJD-HNNXBMFYSA-N 1 2 326.415 3.567 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)NCC(F)(F)F ZINC000459755696 1032448285 /nfs/dbraw/zinc/44/82/85/1032448285.db2.gz SKNHTCGYIHLOSD-MRXNPFEDSA-N 1 2 340.389 3.672 20 0 EHADLO O=C(C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)NCC(F)(F)F ZINC000459755696 1032448289 /nfs/dbraw/zinc/44/82/89/1032448289.db2.gz SKNHTCGYIHLOSD-MRXNPFEDSA-N 1 2 340.389 3.672 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc(-c2ccco2)cs1)n1cc[nH+]c1 ZINC000635541181 1032457337 /nfs/dbraw/zinc/45/73/37/1032457337.db2.gz MHXSLJATOAMPKB-CYBMUJFWSA-N 1 2 330.413 3.826 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cccc3c2CCN3)cs1 ZINC001168108542 1032465929 /nfs/dbraw/zinc/46/59/29/1032465929.db2.gz MDNDYQJQPHSIFJ-UHFFFAOYSA-N 1 2 348.541 3.518 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)c2cc(C)n(C3CC3)c2C)on1 ZINC000085941127 1032480270 /nfs/dbraw/zinc/48/02/70/1032480270.db2.gz YMLXEUCPDYXFSW-KRWDZBQOSA-N 1 2 327.428 3.756 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)c2cc(C)n(C3CC3)c2C)on1 ZINC000085941127 1032480274 /nfs/dbraw/zinc/48/02/74/1032480274.db2.gz YMLXEUCPDYXFSW-KRWDZBQOSA-N 1 2 327.428 3.756 20 0 EHADLO FCC(CF)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000449377499 1032504663 /nfs/dbraw/zinc/50/46/63/1032504663.db2.gz AOSSDNXIEGYCLG-UHFFFAOYSA-N 1 2 343.009 3.609 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@H+](C)Cc3cccc(O)c3)nc(N)c2c1C ZINC000537048756 1032501434 /nfs/dbraw/zinc/50/14/34/1032501434.db2.gz BAFYCCSTSWLRKT-LLVKDONJSA-N 1 2 342.468 3.789 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@@H+](C)Cc3cccc(O)c3)nc(N)c2c1C ZINC000537048756 1032501444 /nfs/dbraw/zinc/50/14/44/1032501444.db2.gz BAFYCCSTSWLRKT-LLVKDONJSA-N 1 2 342.468 3.789 20 0 EHADLO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(-c2ccnn2C)c1 ZINC000449413524 1032516483 /nfs/dbraw/zinc/51/64/83/1032516483.db2.gz JGWCKNAFVCWNPI-IBGZPJMESA-N 1 2 349.482 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(-c2ccnn2C)c1 ZINC000449413524 1032516488 /nfs/dbraw/zinc/51/64/88/1032516488.db2.gz JGWCKNAFVCWNPI-IBGZPJMESA-N 1 2 349.482 3.712 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000537132894 1032530599 /nfs/dbraw/zinc/53/05/99/1032530599.db2.gz UWFSVAWGAOJQID-GFCCVEGCSA-N 1 2 341.282 3.831 20 0 EHADLO Cc1cc(NCCSCc2csc(CN(C)C)n2)c[nH+]c1C ZINC001168108996 1032538143 /nfs/dbraw/zinc/53/81/43/1032538143.db2.gz WOHGCBLQDIWJOV-UHFFFAOYSA-N 1 2 336.530 3.562 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000537155165 1032539914 /nfs/dbraw/zinc/53/99/14/1032539914.db2.gz XOUYRPMSURXJAE-CYBMUJFWSA-N 1 2 346.402 3.522 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1c1ccccc1 ZINC000449428280 1032544395 /nfs/dbraw/zinc/54/43/95/1032544395.db2.gz TYYRIWJOKPWZHV-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1c1ccccc1 ZINC000449428280 1032544398 /nfs/dbraw/zinc/54/43/98/1032544398.db2.gz TYYRIWJOKPWZHV-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000537169830 1032546215 /nfs/dbraw/zinc/54/62/15/1032546215.db2.gz GCKPYWAULIXEOZ-JFIYKMOQSA-N 1 2 332.463 3.857 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nc(-c2cccnc2)no1 ZINC000528647943 1032552595 /nfs/dbraw/zinc/55/25/95/1032552595.db2.gz FBFHOPKTUCTLGD-SUMWQHHRSA-N 1 2 335.411 3.719 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1F ZINC000528675985 1032567493 /nfs/dbraw/zinc/56/74/93/1032567493.db2.gz QDVOHCIQRCKEGI-UHFFFAOYSA-N 1 2 331.347 3.502 20 0 EHADLO CC[C@H](CC(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000460067083 1032572385 /nfs/dbraw/zinc/57/23/85/1032572385.db2.gz UXUFKCUGQCHEIH-MRXNPFEDSA-N 1 2 329.444 3.973 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4(CCC4)[C@H]3c3ccncc3)ccc2[nH+]1 ZINC000665952092 1032572518 /nfs/dbraw/zinc/57/25/18/1032572518.db2.gz ZYGVMDFJBJFNEI-GOSISDBHSA-N 1 2 347.422 3.797 20 0 EHADLO CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000090109180 1032573365 /nfs/dbraw/zinc/57/33/65/1032573365.db2.gz KHMFIWMGEKNWOM-KRWDZBQOSA-N 1 2 347.503 3.888 20 0 EHADLO CSc1cc(C(=O)OCc2c[nH+]cn2C)c(Cl)cc1Cl ZINC000761233642 1032585124 /nfs/dbraw/zinc/58/51/24/1032585124.db2.gz HPPCONHVQCLJED-UHFFFAOYSA-N 1 2 331.224 3.806 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccs1 ZINC000606345003 1032629065 /nfs/dbraw/zinc/62/90/65/1032629065.db2.gz KKUCAQNQOSENMY-VWTAQGJOSA-N 1 2 340.492 3.709 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602118602 1032645714 /nfs/dbraw/zinc/64/57/14/1032645714.db2.gz UIJGHBLKTCGIFL-YNEHKIRRSA-N 1 2 349.422 3.557 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602118601 1032647190 /nfs/dbraw/zinc/64/71/90/1032647190.db2.gz UIJGHBLKTCGIFL-XQQFMLRXSA-N 1 2 349.422 3.557 20 0 EHADLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C1(c2cccs2)CCCCC1 ZINC000606365026 1032653412 /nfs/dbraw/zinc/65/34/12/1032653412.db2.gz HDUWGKWAESNANW-UHFFFAOYSA-N 1 2 342.464 3.635 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000606368602 1032655918 /nfs/dbraw/zinc/65/59/18/1032655918.db2.gz GZEQMRWWFSLJOV-QGZVFWFLSA-N 1 2 341.480 3.722 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000606368602 1032655930 /nfs/dbraw/zinc/65/59/30/1032655930.db2.gz GZEQMRWWFSLJOV-QGZVFWFLSA-N 1 2 341.480 3.722 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cnc(Oc3ccccc3)cn2)c(C)[nH+]1 ZINC000091193515 1032657437 /nfs/dbraw/zinc/65/74/37/1032657437.db2.gz LDWRWROSOQTLRX-UHFFFAOYSA-N 1 2 334.379 3.841 20 0 EHADLO O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091230912 1032673706 /nfs/dbraw/zinc/67/37/06/1032673706.db2.gz KHEXGADBPLEZQJ-WMLDXEAASA-N 1 2 342.418 3.515 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000606431372 1032678347 /nfs/dbraw/zinc/67/83/47/1032678347.db2.gz IFGLKCCIUMNISG-SFHVURJKSA-N 1 2 333.451 3.500 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc2ccccc2n1 ZINC000659828119 1017133545 /nfs/dbraw/zinc/13/35/45/1017133545.db2.gz XAQAMPBXXSKKPD-UHFFFAOYSA-N 1 2 348.450 3.789 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc2ccccc2n1 ZINC000659828119 1017133562 /nfs/dbraw/zinc/13/35/62/1017133562.db2.gz XAQAMPBXXSKKPD-UHFFFAOYSA-N 1 2 348.450 3.789 20 0 EHADLO Cc1ncccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528727219 1032689297 /nfs/dbraw/zinc/68/92/97/1032689297.db2.gz FUMDVYGTYBYZJQ-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ncccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528727219 1032689304 /nfs/dbraw/zinc/68/93/04/1032689304.db2.gz FUMDVYGTYBYZJQ-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(CCOCc2ccccc2)CC1 ZINC000659833751 1017293139 /nfs/dbraw/zinc/29/31/39/1017293139.db2.gz MACNBEALXIIZIM-KPKJPENVSA-N 1 2 336.479 3.534 20 0 EHADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCc1c[nH+]cn1C ZINC000189045086 1017393187 /nfs/dbraw/zinc/39/31/87/1017393187.db2.gz WCWACOFAEXSEIE-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCn3ccnc31)CCO2 ZINC000655701651 1017409003 /nfs/dbraw/zinc/40/90/03/1017409003.db2.gz VYMUQFOWKXDKEC-KGLIPLIRSA-N 1 2 348.244 3.594 20 0 EHADLO COc1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1OC1CCCC1 ZINC000655712193 1017434373 /nfs/dbraw/zinc/43/43/73/1017434373.db2.gz ONUCZEFUGNXDJP-QGZVFWFLSA-N 1 2 341.455 3.838 20 0 EHADLO Cc1cnc([C@H]([NH2+]Cc2ccncc2Br)C2CC2)s1 ZINC000625320541 1017455317 /nfs/dbraw/zinc/45/53/17/1017455317.db2.gz RXEHJCVOPSCBOV-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO c1cn(C2CC2)c(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1 ZINC000892805559 1017476254 /nfs/dbraw/zinc/47/62/54/1017476254.db2.gz MVUOIDIFZIQQJZ-UHFFFAOYSA-N 1 2 326.444 3.614 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)c(OCC2CC2)c1 ZINC000655746089 1017523927 /nfs/dbraw/zinc/52/39/27/1017523927.db2.gz MIDKXPXZQCOIPX-UHFFFAOYSA-N 1 2 325.456 3.606 20 0 EHADLO O[C@@H](C[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179799 1017536275 /nfs/dbraw/zinc/53/62/75/1017536275.db2.gz CNWNDVJSEOTRND-OLZOCXBDSA-N 1 2 325.733 3.524 20 0 EHADLO O[C@@H](C[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179799 1017536287 /nfs/dbraw/zinc/53/62/87/1017536287.db2.gz CNWNDVJSEOTRND-OLZOCXBDSA-N 1 2 325.733 3.524 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000655754425 1017537734 /nfs/dbraw/zinc/53/77/34/1017537734.db2.gz QEYUXBVGLYWNHM-HNNXBMFYSA-N 1 2 338.459 3.581 20 0 EHADLO Fc1ccc(C2=CC[C@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)CC2)cc1 ZINC000655794843 1017627025 /nfs/dbraw/zinc/62/70/25/1017627025.db2.gz SOPLVZJMRSZEAK-IRXDYDNUSA-N 1 2 342.418 3.521 20 0 EHADLO CC(C)Cc1cccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000655796641 1017630802 /nfs/dbraw/zinc/63/08/02/1017630802.db2.gz GJACSQZNAMARON-YOEHRIQHSA-N 1 2 328.460 3.706 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000655795791 1017631082 /nfs/dbraw/zinc/63/10/82/1017631082.db2.gz BSESNPDKRHYNMY-DLBZAZTESA-N 1 2 340.471 3.850 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(C2CC2)c1 ZINC000574155288 1032715215 /nfs/dbraw/zinc/71/52/15/1032715215.db2.gz AFFZSHPRGQTAGY-KBXCAEBGSA-N 1 2 338.455 3.558 20 0 EHADLO CC(C)COc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056637943 1017734663 /nfs/dbraw/zinc/73/46/63/1017734663.db2.gz FZLJBFACKXPWRI-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO Cc1ccc(NC(=O)c2cnc(CC(C)(C)C)s2)c(N(C)C)[nH+]1 ZINC001266516138 1017736818 /nfs/dbraw/zinc/73/68/18/1017736818.db2.gz SNLXUHZOYALTFV-UHFFFAOYSA-N 1 2 332.473 3.753 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1F ZINC000377395507 1017739441 /nfs/dbraw/zinc/73/94/41/1017739441.db2.gz CRFLNHZRQGIEEE-AWEZNQCLSA-N 1 2 325.387 3.871 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)C(F)F)n2)CC1 ZINC000352237077 1017800718 /nfs/dbraw/zinc/80/07/18/1017800718.db2.gz IXJJYDNDMXIPGE-UHFFFAOYSA-N 1 2 331.432 3.605 20 0 EHADLO Cn1c2ccccc2nc1C[NH2+]Cc1cc(Br)ccc1F ZINC000070162963 1017839302 /nfs/dbraw/zinc/83/93/02/1017839302.db2.gz AXZUTYWJHOHRBV-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000340445588 1017853332 /nfs/dbraw/zinc/85/33/32/1017853332.db2.gz SDJGYVKKDXVYIB-SFHVURJKSA-N 1 2 332.394 3.664 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F ZINC000340462223 1017927754 /nfs/dbraw/zinc/92/77/54/1017927754.db2.gz CXERTWJNLKCMFY-LBPRGKRZSA-N 1 2 341.365 3.930 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000340462864 1017931011 /nfs/dbraw/zinc/93/10/11/1017931011.db2.gz DRUBFWDYGQVSNY-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000157768628 1032735708 /nfs/dbraw/zinc/73/57/08/1032735708.db2.gz QYHNGWOLDVWDQS-ZDUSSCGKSA-N 1 2 329.893 3.690 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000157768628 1032735713 /nfs/dbraw/zinc/73/57/13/1032735713.db2.gz QYHNGWOLDVWDQS-ZDUSSCGKSA-N 1 2 329.893 3.690 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cnc(-c4ccccc4)s3)[nH+]c12 ZINC000091790654 1032736137 /nfs/dbraw/zinc/73/61/37/1032736137.db2.gz KLTCAPSTVFAELD-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc([S@](C)=O)cc1)C2 ZINC000091857768 1032738300 /nfs/dbraw/zinc/73/83/00/1032738300.db2.gz ZBEIRYUGEMOLAQ-XMMPIXPASA-N 1 2 343.492 3.771 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc([S@](C)=O)cc1)C2 ZINC000091857768 1032738312 /nfs/dbraw/zinc/73/83/12/1032738312.db2.gz ZBEIRYUGEMOLAQ-XMMPIXPASA-N 1 2 343.492 3.771 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000574216337 1032741543 /nfs/dbraw/zinc/74/15/43/1032741543.db2.gz GUCQMXQPIZHNOJ-NSHDSACASA-N 1 2 325.334 3.722 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000574216337 1032741559 /nfs/dbraw/zinc/74/15/59/1032741559.db2.gz GUCQMXQPIZHNOJ-NSHDSACASA-N 1 2 325.334 3.722 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273851 1018089151 /nfs/dbraw/zinc/08/91/51/1018089151.db2.gz ZNWZPYLWADDHKN-KRWDZBQOSA-N 1 2 341.455 3.883 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273851 1018089167 /nfs/dbraw/zinc/08/91/67/1018089167.db2.gz ZNWZPYLWADDHKN-KRWDZBQOSA-N 1 2 341.455 3.883 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)ccn1 ZINC000340504271 1018162071 /nfs/dbraw/zinc/16/20/71/1018162071.db2.gz FNMXWIGFOUWGPS-DTWKUNHWSA-N 1 2 331.363 3.977 20 0 EHADLO Nc1nccc([C@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)n1 ZINC000377699737 1018214473 /nfs/dbraw/zinc/21/44/73/1018214473.db2.gz QXTPOONENNETAR-VIFPVBQESA-N 1 2 343.283 3.637 20 0 EHADLO Nc1nccc([C@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)n1 ZINC000377699737 1018214490 /nfs/dbraw/zinc/21/44/90/1018214490.db2.gz QXTPOONENNETAR-VIFPVBQESA-N 1 2 343.283 3.637 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3CCCOc4ccccc43)ccc2[nH+]1 ZINC000606569636 1032752755 /nfs/dbraw/zinc/75/27/55/1032752755.db2.gz KRZYXWHHEDBIDN-MRXNPFEDSA-N 1 2 336.395 3.678 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C)CCCCC3)CC2)cc1 ZINC000548029170 1018387832 /nfs/dbraw/zinc/38/78/32/1018387832.db2.gz VZKPPIJRRYWMLE-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000377812377 1018407540 /nfs/dbraw/zinc/40/75/40/1018407540.db2.gz VWNIVSVKIZTUOT-IBGZPJMESA-N 1 2 343.390 3.640 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(C)o1 ZINC000893099108 1018478634 /nfs/dbraw/zinc/47/86/34/1018478634.db2.gz IHNWDZHEFBLFQO-LLVKDONJSA-N 1 2 334.363 3.627 20 0 EHADLO Cc1cccc2ncc(CNc3cc[nH+]c(OCC(F)(F)F)c3)n21 ZINC000340563538 1018487062 /nfs/dbraw/zinc/48/70/62/1018487062.db2.gz ZAXFEJSCGMBKMW-UHFFFAOYSA-N 1 2 336.317 3.591 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(OC2CCCCC2)CC1 ZINC000606582054 1032767848 /nfs/dbraw/zinc/76/78/48/1032767848.db2.gz BLJCZHVGLCEBHU-UHFFFAOYSA-N 1 2 342.443 3.680 20 0 EHADLO CN(C)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccsc1 ZINC000275750644 1018496401 /nfs/dbraw/zinc/49/64/01/1018496401.db2.gz SMZHIUHIMVATEQ-SJORKVTESA-N 1 2 344.459 3.592 20 0 EHADLO Cc1ccc(CO)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001210678608 1018552038 /nfs/dbraw/zinc/55/20/38/1018552038.db2.gz VYNZAJBGBBZSCG-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000340573827 1018557516 /nfs/dbraw/zinc/55/75/16/1018557516.db2.gz HAYPGBSNZSQXRW-SFHVURJKSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000340573827 1018557525 /nfs/dbraw/zinc/55/75/25/1018557525.db2.gz HAYPGBSNZSQXRW-SFHVURJKSA-N 1 2 327.449 3.595 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000893125421 1018570350 /nfs/dbraw/zinc/57/03/50/1018570350.db2.gz BWNRTMVMZQJZSS-UHFFFAOYSA-N 1 2 341.484 3.889 20 0 EHADLO Cc1cc2occ(CC(=O)NCCCn3cc[nH+]c3)c2cc1C(C)C ZINC000045052555 1018575963 /nfs/dbraw/zinc/57/59/63/1018575963.db2.gz KQXYMIQWWNZKFQ-UHFFFAOYSA-N 1 2 339.439 3.810 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000593124607 1032781951 /nfs/dbraw/zinc/78/19/51/1032781951.db2.gz TXNLSBFWCRURFX-INIZCTEOSA-N 1 2 346.475 3.564 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000593124607 1032781963 /nfs/dbraw/zinc/78/19/63/1032781963.db2.gz TXNLSBFWCRURFX-INIZCTEOSA-N 1 2 346.475 3.564 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000052440435 1018811382 /nfs/dbraw/zinc/81/13/82/1018811382.db2.gz NKLLSYBXGWWEEP-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000683842479 1018837705 /nfs/dbraw/zinc/83/77/05/1018837705.db2.gz WYXSFJCPBFGLLJ-LBPRGKRZSA-N 1 2 326.824 3.979 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000683842479 1018837719 /nfs/dbraw/zinc/83/77/19/1018837719.db2.gz WYXSFJCPBFGLLJ-LBPRGKRZSA-N 1 2 326.824 3.979 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)[C@H]1CCc2ccccc21 ZINC000047405991 1018880122 /nfs/dbraw/zinc/88/01/22/1018880122.db2.gz NSEXSDPYSBJZBA-IBGZPJMESA-N 1 2 340.373 3.526 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cc(F)ccc1F)[C@H]1CCc2ccccc21 ZINC000047405991 1018880143 /nfs/dbraw/zinc/88/01/43/1018880143.db2.gz NSEXSDPYSBJZBA-IBGZPJMESA-N 1 2 340.373 3.526 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)n1 ZINC000580259636 1018885462 /nfs/dbraw/zinc/88/54/62/1018885462.db2.gz QOMFBYLKYODMSN-AAEUAGOBSA-N 1 2 330.444 3.692 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000255326834 1018935005 /nfs/dbraw/zinc/93/50/05/1018935005.db2.gz PNBBMQGFYTWEPM-XQRVVYSFSA-N 1 2 347.871 3.726 20 0 EHADLO Cc1cc(C[NH+]2CC3(C2)CCCCN3C(=O)OC(C)(C)C)oc1C ZINC001204532188 1018980199 /nfs/dbraw/zinc/98/01/99/1018980199.db2.gz ACSNWPDYRHGRNP-UHFFFAOYSA-N 1 2 334.460 3.872 20 0 EHADLO CC[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1c(C)nn(C)c1C ZINC000754430081 1019005460 /nfs/dbraw/zinc/00/54/60/1019005460.db2.gz CVWRQBIWFSTAHJ-SNVBAGLBSA-N 1 2 347.331 3.973 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000655341487 1019013701 /nfs/dbraw/zinc/01/37/01/1019013701.db2.gz RLRUIBNOFNMEMO-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(C)[nH+]1 ZINC000408463650 1019041457 /nfs/dbraw/zinc/04/14/57/1019041457.db2.gz GNEKUCSESHRJHJ-IUHNQTRMSA-N 1 2 345.487 3.800 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642750 1019055822 /nfs/dbraw/zinc/05/58/22/1019055822.db2.gz QGJYVRJNYDQVKQ-CABCVRRESA-N 1 2 329.469 3.605 20 0 EHADLO Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc(C2CCC2)[nH+]1 ZINC000894202589 1019136729 /nfs/dbraw/zinc/13/67/29/1019136729.db2.gz XRSSZOGCYMZJRZ-NRFANRHFSA-N 1 2 349.434 3.667 20 0 EHADLO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c[nH]cn3)c(C(F)(F)F)c2)n1 ZINC000894205364 1019165396 /nfs/dbraw/zinc/16/53/96/1019165396.db2.gz XSWOIYQCGZCMLT-UHFFFAOYSA-N 1 2 349.360 3.521 20 0 EHADLO CCN1c2ccc(Nc3ccc(C)c[nH+]3)cc2C2(CCOCC2)C1=O ZINC001211013213 1019211567 /nfs/dbraw/zinc/21/15/67/1019211567.db2.gz BPXQSFABHFTSLY-UHFFFAOYSA-N 1 2 337.423 3.548 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC001167386780 1019217232 /nfs/dbraw/zinc/21/72/32/1019217232.db2.gz JMAFBTCEXFEJBW-SFHVURJKSA-N 1 2 330.378 3.592 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC001167386780 1019217244 /nfs/dbraw/zinc/21/72/44/1019217244.db2.gz JMAFBTCEXFEJBW-SFHVURJKSA-N 1 2 330.378 3.592 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000729228596 1019241115 /nfs/dbraw/zinc/24/11/15/1019241115.db2.gz UTMPYMJAZGDMAG-IBGZPJMESA-N 1 2 349.438 3.608 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000030223939 1019243994 /nfs/dbraw/zinc/24/39/94/1019243994.db2.gz SLMHHOTWZJONOX-OAHLLOKOSA-N 1 2 336.407 3.974 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000030223939 1019244004 /nfs/dbraw/zinc/24/40/04/1019244004.db2.gz SLMHHOTWZJONOX-OAHLLOKOSA-N 1 2 336.407 3.974 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@@H](c3ccccc3)C(C)C)[nH+]c12 ZINC000060342619 1019264082 /nfs/dbraw/zinc/26/40/82/1019264082.db2.gz CLRLAROWMHEUGS-LJQANCHMSA-N 1 2 335.451 3.741 20 0 EHADLO Cc1cnc(OC2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)nc1 ZINC000656213789 1019330637 /nfs/dbraw/zinc/33/06/37/1019330637.db2.gz HUWLXGFAICAAIV-UHFFFAOYSA-N 1 2 338.386 3.520 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000449568300 1032822967 /nfs/dbraw/zinc/82/29/67/1032822967.db2.gz ARLCAAWOLCWRNN-NOZJJQNGSA-N 1 2 326.227 3.994 20 0 EHADLO CCC(CC)c1nnc(NC(=O)c2ccn3c(C)c[nH+]c3c2)s1 ZINC000580463392 1019409002 /nfs/dbraw/zinc/40/90/02/1019409002.db2.gz NMHXHOQPDYPDOQ-UHFFFAOYSA-N 1 2 329.429 3.650 20 0 EHADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)oc1C ZINC001204540526 1019452072 /nfs/dbraw/zinc/45/20/72/1019452072.db2.gz YMYYOSZUORUXCO-AWEZNQCLSA-N 1 2 344.402 3.631 20 0 EHADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)oc1C ZINC001204540526 1019452078 /nfs/dbraw/zinc/45/20/78/1019452078.db2.gz YMYYOSZUORUXCO-AWEZNQCLSA-N 1 2 344.402 3.631 20 0 EHADLO CC1(C)CC[N@H+](Cc2cnc(-c3ccsc3)s2)CC[S@]1=O ZINC000449573193 1032831900 /nfs/dbraw/zinc/83/19/00/1032831900.db2.gz RDOSVXLQFBUAFJ-OAQYLSRUSA-N 1 2 340.539 3.605 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[S@]1=O ZINC000449573193 1032831917 /nfs/dbraw/zinc/83/19/17/1032831917.db2.gz RDOSVXLQFBUAFJ-OAQYLSRUSA-N 1 2 340.539 3.605 20 0 EHADLO CCc1cccc(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000050254116 1019470900 /nfs/dbraw/zinc/47/09/00/1019470900.db2.gz VAKIHVHAOOAGPC-UHFFFAOYSA-N 1 2 329.469 3.756 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(C)cc2C)c1C ZINC000050254162 1019473216 /nfs/dbraw/zinc/47/32/16/1019473216.db2.gz BPZIRLCTCAFZNU-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@@](=O)C(C)(C)CC3)s2)cc1 ZINC000449573528 1032832915 /nfs/dbraw/zinc/83/29/15/1032832915.db2.gz SJGOVPSETDYFBZ-HSZRJFAPSA-N 1 2 348.537 3.852 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@@](=O)C(C)(C)CC3)s2)cc1 ZINC000449573528 1032832933 /nfs/dbraw/zinc/83/29/33/1032832933.db2.gz SJGOVPSETDYFBZ-HSZRJFAPSA-N 1 2 348.537 3.852 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000513338845 1019540784 /nfs/dbraw/zinc/54/07/84/1019540784.db2.gz BHOBUZVCXBYEDF-FUHIMQAGSA-N 1 2 344.499 3.628 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000513338845 1019540798 /nfs/dbraw/zinc/54/07/98/1019540798.db2.gz BHOBUZVCXBYEDF-FUHIMQAGSA-N 1 2 344.499 3.628 20 0 EHADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275916117 1019612431 /nfs/dbraw/zinc/61/24/31/1019612431.db2.gz YJLQCWPOBVKJRC-NSHDSACASA-N 1 2 341.308 3.587 20 0 EHADLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2ncccc12 ZINC000548111986 1019620136 /nfs/dbraw/zinc/62/01/36/1019620136.db2.gz LSIQBSCJQVKEFJ-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1sccc1Cl ZINC000513418540 1019632237 /nfs/dbraw/zinc/63/22/37/1019632237.db2.gz BSBQBFARJYZZJA-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1sccc1Cl ZINC000513418540 1019632246 /nfs/dbraw/zinc/63/22/46/1019632246.db2.gz BSBQBFARJYZZJA-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000683993853 1019683517 /nfs/dbraw/zinc/68/35/17/1019683517.db2.gz RNIKNPZZSLWGEC-OAHLLOKOSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CCc2ccc(O)cc2)c1 ZINC000152672655 1019812918 /nfs/dbraw/zinc/81/29/18/1019812918.db2.gz AZIFKEVNXMILMM-MRXNPFEDSA-N 1 2 349.434 3.637 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000580665460 1019818139 /nfs/dbraw/zinc/81/81/39/1019818139.db2.gz DXYJALRBIWZQSQ-WKILWMFISA-N 1 2 335.407 3.981 20 0 EHADLO COC1(C(F)(F)F)CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000894232109 1019844332 /nfs/dbraw/zinc/84/43/32/1019844332.db2.gz VDIBBMRFXAOSTE-UHFFFAOYSA-N 1 2 329.366 3.600 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000175961770 1019930405 /nfs/dbraw/zinc/93/04/05/1019930405.db2.gz SPPSBWUTOJLGLK-OXQOHEQNSA-N 1 2 346.434 3.775 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2C(F)(F)F)c1C ZINC000050449505 1019930842 /nfs/dbraw/zinc/93/08/42/1019930842.db2.gz MPZNGQJCKQITBD-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1C ZINC000050447840 1019931120 /nfs/dbraw/zinc/93/11/20/1019931120.db2.gz BPOSBNHKGIGXPQ-HZPDHXFCSA-N 1 2 344.842 3.780 20 0 EHADLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc(C2CC2)n1 ZINC000340789907 1019990060 /nfs/dbraw/zinc/99/00/60/1019990060.db2.gz DWPHPYHJUPFGBJ-UHFFFAOYSA-N 1 2 325.460 3.556 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000345168410 1020002962 /nfs/dbraw/zinc/00/29/62/1020002962.db2.gz DXFZQNINODEEBP-WCXIOVBPSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000345168410 1020002983 /nfs/dbraw/zinc/00/29/83/1020002983.db2.gz DXFZQNINODEEBP-WCXIOVBPSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043565 1020040784 /nfs/dbraw/zinc/04/07/84/1020040784.db2.gz BGUKDEJGWOQJGZ-MAUKXSAKSA-N 1 2 330.472 3.770 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043565 1020040800 /nfs/dbraw/zinc/04/08/00/1020040800.db2.gz BGUKDEJGWOQJGZ-MAUKXSAKSA-N 1 2 330.472 3.770 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CCS[C@H](C)[C@H]3C)o2)cc1C ZINC000345220789 1020047052 /nfs/dbraw/zinc/04/70/52/1020047052.db2.gz ARNOZIGBZDLAON-VXGBXAGGSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CCS[C@H](C)[C@H]3C)o2)cc1C ZINC000345220789 1020047065 /nfs/dbraw/zinc/04/70/65/1020047065.db2.gz ARNOZIGBZDLAON-VXGBXAGGSA-N 1 2 337.514 3.995 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)CCOc3ccccc3F)n2)c1 ZINC000048057728 1020050170 /nfs/dbraw/zinc/05/01/70/1020050170.db2.gz IHXOTARSCOGHOS-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)CCOc3ccccc3F)n2)c1 ZINC000048057728 1020050183 /nfs/dbraw/zinc/05/01/83/1020050183.db2.gz IHXOTARSCOGHOS-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(Br)cc2F)o1 ZINC000449610081 1032877453 /nfs/dbraw/zinc/87/74/53/1032877453.db2.gz FCBXLMLNZVONKT-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000093170758 1032881262 /nfs/dbraw/zinc/88/12/62/1032881262.db2.gz FTDYYNOHLWCATK-LBPRGKRZSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000093170758 1032881273 /nfs/dbraw/zinc/88/12/73/1032881273.db2.gz FTDYYNOHLWCATK-LBPRGKRZSA-N 1 2 338.224 3.622 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccn1 ZINC000280203886 1020199525 /nfs/dbraw/zinc/19/95/25/1020199525.db2.gz VJIBENISYMFNOH-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580900982 1020205184 /nfs/dbraw/zinc/20/51/84/1020205184.db2.gz GITMKKWBAKJMTJ-HZPDHXFCSA-N 1 2 345.512 3.892 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580900982 1020205195 /nfs/dbraw/zinc/20/51/95/1020205195.db2.gz GITMKKWBAKJMTJ-HZPDHXFCSA-N 1 2 345.512 3.892 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c[nH+]1 ZINC000897593360 1032884365 /nfs/dbraw/zinc/88/43/65/1032884365.db2.gz BBYHBNIAFZNHQM-FUHWJXTLSA-N 1 2 325.456 3.640 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(OC(C)(C)C)cc3)ccn12 ZINC001125478724 1020229117 /nfs/dbraw/zinc/22/91/17/1020229117.db2.gz AVOAHBHDLFSMMH-UHFFFAOYSA-N 1 2 337.423 3.750 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345445493 1020260022 /nfs/dbraw/zinc/26/00/22/1020260022.db2.gz KNPIYHUCKVZIFJ-GOSISDBHSA-N 1 2 341.499 3.896 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000602438911 1032887815 /nfs/dbraw/zinc/88/78/15/1032887815.db2.gz CRLFJTYXPMWJOT-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000602438911 1032887831 /nfs/dbraw/zinc/88/78/31/1032887831.db2.gz CRLFJTYXPMWJOT-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093236194 1032888553 /nfs/dbraw/zinc/88/85/53/1032888553.db2.gz DXPKNKXVSCZJBK-HOTGVXAUSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093236194 1032888564 /nfs/dbraw/zinc/88/85/64/1032888564.db2.gz DXPKNKXVSCZJBK-HOTGVXAUSA-N 1 2 325.456 3.514 20 0 EHADLO Cc1ncsc1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480451 1020297845 /nfs/dbraw/zinc/29/78/45/1020297845.db2.gz LYYJPZHWENXPKP-UHFFFAOYSA-N 1 2 346.843 3.862 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992333 1020340120 /nfs/dbraw/zinc/34/01/20/1020340120.db2.gz MHKIUSHSAIEKEM-MYYSRTQBSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992333 1020340123 /nfs/dbraw/zinc/34/01/23/1020340123.db2.gz MHKIUSHSAIEKEM-MYYSRTQBSA-N 1 2 347.455 3.961 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000280440858 1020384906 /nfs/dbraw/zinc/38/49/06/1020384906.db2.gz MZSGZQWKFAYBQB-KSSFIOAISA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000280440858 1020384915 /nfs/dbraw/zinc/38/49/15/1020384915.db2.gz MZSGZQWKFAYBQB-KSSFIOAISA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000280440854 1020384988 /nfs/dbraw/zinc/38/49/88/1020384988.db2.gz MZSGZQWKFAYBQB-KDOFPFPSSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000280440854 1020384994 /nfs/dbraw/zinc/38/49/94/1020384994.db2.gz MZSGZQWKFAYBQB-KDOFPFPSSA-N 1 2 339.863 3.507 20 0 EHADLO CCCCn1ncc(NC(=O)NCCCCn2cc[nH+]c2)c1C(C)C ZINC000581047073 1020385178 /nfs/dbraw/zinc/38/51/78/1020385178.db2.gz KPRSASGYDNHXRO-UHFFFAOYSA-N 1 2 346.479 3.605 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000606916470 1032903140 /nfs/dbraw/zinc/90/31/40/1032903140.db2.gz UEFRJHLHXCAOLF-KGLIPLIRSA-N 1 2 338.521 3.789 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000606916470 1032903156 /nfs/dbraw/zinc/90/31/56/1032903156.db2.gz UEFRJHLHXCAOLF-KGLIPLIRSA-N 1 2 338.521 3.789 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2cn(C3CC3)cn2)s1 ZINC000865627725 1032905012 /nfs/dbraw/zinc/90/50/12/1032905012.db2.gz JDDLEJZEYYCLCX-UHFFFAOYSA-N 1 2 326.263 3.640 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cccc(Br)c2F)s1 ZINC000295693280 1020507250 /nfs/dbraw/zinc/50/72/50/1020507250.db2.gz LZFYZQPCQOSWPL-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO C[C@H](Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1)c1cncs1 ZINC000340879411 1020524958 /nfs/dbraw/zinc/52/49/58/1020524958.db2.gz UBLPIHQBIPSSLX-UWVGGRQHSA-N 1 2 332.458 3.736 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000656445766 1020588553 /nfs/dbraw/zinc/58/85/53/1020588553.db2.gz SSBOOADTPKJPJU-CQSZACIVSA-N 1 2 339.760 3.923 20 0 EHADLO CSCCc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000345911243 1020605933 /nfs/dbraw/zinc/60/59/33/1020605933.db2.gz SWINLSHPMICDNX-LJQANCHMSA-N 1 2 340.492 3.805 20 0 EHADLO CSCCc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000345911243 1020605942 /nfs/dbraw/zinc/60/59/42/1020605942.db2.gz SWINLSHPMICDNX-LJQANCHMSA-N 1 2 340.492 3.805 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000123653751 1020613737 /nfs/dbraw/zinc/61/37/37/1020613737.db2.gz NOQKWWDLSBCAMZ-SJKOYZFVSA-N 1 2 342.830 3.741 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(C[C@H]3CCCCC3(F)F)nn2)cc1 ZINC000656462223 1020630753 /nfs/dbraw/zinc/63/07/53/1020630753.db2.gz AOTUUKSGCRFGGO-CQSZACIVSA-N 1 2 338.377 3.533 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+](Cc2ccco2)C(C)C)cc1 ZINC000340940397 1020657141 /nfs/dbraw/zinc/65/71/41/1020657141.db2.gz NVJDELSBQSDXTK-UHFFFAOYSA-N 1 2 335.469 3.662 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](Cc2ccco2)C(C)C)cc1 ZINC000340940397 1020657144 /nfs/dbraw/zinc/65/71/44/1020657144.db2.gz NVJDELSBQSDXTK-UHFFFAOYSA-N 1 2 335.469 3.662 20 0 EHADLO CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419478733 1020665709 /nfs/dbraw/zinc/66/57/09/1020665709.db2.gz RXCRQHNLIQREFC-IXDOHACOSA-N 1 2 344.503 3.517 20 0 EHADLO CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419478732 1020666347 /nfs/dbraw/zinc/66/63/47/1020666347.db2.gz RXCRQHNLIQREFC-IKGGRYGDSA-N 1 2 344.503 3.517 20 0 EHADLO Cc1nc(C2CCC2)sc1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000891369289 1020668270 /nfs/dbraw/zinc/66/82/70/1020668270.db2.gz ADPMRVYRXJLYPL-UHFFFAOYSA-N 1 2 329.469 3.590 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000430200171 1020670905 /nfs/dbraw/zinc/67/09/05/1020670905.db2.gz GDDHUAWOGUJFQD-NSHDSACASA-N 1 2 325.817 3.948 20 0 EHADLO COc1ccccc1CN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340962658 1020687814 /nfs/dbraw/zinc/68/78/14/1020687814.db2.gz MDXHIBCGSGCLHB-SFHVURJKSA-N 1 2 349.434 3.599 20 0 EHADLO CCCCc1nc(C)c(CC(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000891370736 1020711129 /nfs/dbraw/zinc/71/11/29/1020711129.db2.gz QGBRUTWHGIEMML-UHFFFAOYSA-N 1 2 331.485 3.665 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000292463738 1020772924 /nfs/dbraw/zinc/77/29/24/1020772924.db2.gz XZJKLOPBQBJZTH-IENJSVCTSA-N 1 2 338.455 3.588 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(c2ccccc2)CC1 ZINC000069533836 1020787382 /nfs/dbraw/zinc/78/73/82/1020787382.db2.gz YRHNIUNWUZOABN-UHFFFAOYSA-N 1 2 341.480 3.799 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340999219 1020804809 /nfs/dbraw/zinc/80/48/09/1020804809.db2.gz NVTQSVZIVOOEOS-ICSRJNTNSA-N 1 2 331.419 3.682 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(O)cc(Cl)c1 ZINC000891395692 1020904267 /nfs/dbraw/zinc/90/42/67/1020904267.db2.gz XKOMJQRNTIUVQM-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(O)cc(Cl)c1 ZINC000891395692 1020904270 /nfs/dbraw/zinc/90/42/70/1020904270.db2.gz XKOMJQRNTIUVQM-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000650389922 1020904685 /nfs/dbraw/zinc/90/46/85/1020904685.db2.gz FMEBYHVQXLRZKM-SMDDNHRTSA-N 1 2 335.398 3.564 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000891402197 1020922747 /nfs/dbraw/zinc/92/27/47/1020922747.db2.gz OQCXESGZMQXDEK-MRXNPFEDSA-N 1 2 342.443 3.714 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000891402197 1020922752 /nfs/dbraw/zinc/92/27/52/1020922752.db2.gz OQCXESGZMQXDEK-MRXNPFEDSA-N 1 2 342.443 3.714 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276235969 1020953658 /nfs/dbraw/zinc/95/36/58/1020953658.db2.gz LGFOBXQZHFPBQB-CQSZACIVSA-N 1 2 344.377 3.605 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276235969 1020953662 /nfs/dbraw/zinc/95/36/62/1020953662.db2.gz LGFOBXQZHFPBQB-CQSZACIVSA-N 1 2 344.377 3.605 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341115048 1020990274 /nfs/dbraw/zinc/99/02/74/1020990274.db2.gz HPCYNVUDNGVOLI-MRXNPFEDSA-N 1 2 340.448 3.630 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000276294699 1021004770 /nfs/dbraw/zinc/00/47/70/1021004770.db2.gz MKQASODGNSYOBJ-KBPBESRZSA-N 1 2 329.448 3.599 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cc1ncc(Br)s1 ZINC000341181876 1021052803 /nfs/dbraw/zinc/05/28/03/1021052803.db2.gz SWOOYGSDMZHIFF-UHFFFAOYSA-N 1 2 341.274 3.807 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cc1ncc(Br)s1 ZINC000341181876 1021052810 /nfs/dbraw/zinc/05/28/10/1021052810.db2.gz SWOOYGSDMZHIFF-UHFFFAOYSA-N 1 2 341.274 3.807 20 0 EHADLO COc1ncncc1N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001167469684 1021078672 /nfs/dbraw/zinc/07/86/72/1021078672.db2.gz UDHSUSBSTWEDEW-UHFFFAOYSA-N 1 2 337.408 3.675 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)c1nnc2n1CCCCC2 ZINC000276358876 1021095206 /nfs/dbraw/zinc/09/52/06/1021095206.db2.gz MQQAITXITYWKIM-YOEHRIQHSA-N 1 2 344.507 3.892 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276383530 1021135403 /nfs/dbraw/zinc/13/54/03/1021135403.db2.gz SWNRXDLCLWOSND-CQSZACIVSA-N 1 2 337.345 3.675 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000449648891 1032957080 /nfs/dbraw/zinc/95/70/80/1032957080.db2.gz UVKUTBQPOWXPIR-KGLIPLIRSA-N 1 2 343.496 3.552 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000656683067 1021160666 /nfs/dbraw/zinc/16/06/66/1021160666.db2.gz XGLLLOVJDBEZMP-NXEZZACHSA-N 1 2 343.374 3.840 20 0 EHADLO O=C(c1cccc2cccnc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341241623 1021166002 /nfs/dbraw/zinc/16/60/02/1021166002.db2.gz OGXGGWFOURJWBA-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000505880714 1021212686 /nfs/dbraw/zinc/21/26/86/1021212686.db2.gz XRWDZQSVKPBXHP-SCOAYWHSSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000505880714 1021212695 /nfs/dbraw/zinc/21/26/95/1021212695.db2.gz XRWDZQSVKPBXHP-SCOAYWHSSA-N 1 2 327.453 3.568 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000246525923 1021214415 /nfs/dbraw/zinc/21/44/15/1021214415.db2.gz RQHLABDTRFXTKK-HUUCEWRRSA-N 1 2 338.879 3.804 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000246525923 1021214423 /nfs/dbraw/zinc/21/44/23/1021214423.db2.gz RQHLABDTRFXTKK-HUUCEWRRSA-N 1 2 338.879 3.804 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)[nH+]1 ZINC000516249791 1021229071 /nfs/dbraw/zinc/22/90/71/1021229071.db2.gz QEUTYBSFFYGSHZ-ZACQAIPSSA-N 1 2 331.460 3.554 20 0 EHADLO COc1ccc2ccc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2c1 ZINC000507388288 1021239162 /nfs/dbraw/zinc/23/91/62/1021239162.db2.gz WEAXNRGGYGITAZ-UHFFFAOYSA-N 1 2 349.434 3.653 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000341280076 1021282200 /nfs/dbraw/zinc/28/22/00/1021282200.db2.gz ITIGRMUZJVGMSL-CQSZACIVSA-N 1 2 332.394 3.582 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000342464778 1021289289 /nfs/dbraw/zinc/28/92/89/1021289289.db2.gz OUCKNQFQOAYIIY-FQEVSTJZSA-N 1 2 336.435 3.882 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000342464778 1021289301 /nfs/dbraw/zinc/28/93/01/1021289301.db2.gz OUCKNQFQOAYIIY-FQEVSTJZSA-N 1 2 336.435 3.882 20 0 EHADLO CCc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(O)c1 ZINC000436849265 1021291327 /nfs/dbraw/zinc/29/13/27/1021291327.db2.gz YYYGEDFFYDFNFN-UHFFFAOYSA-N 1 2 346.390 3.916 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1nccn1C(C)C ZINC000656772013 1021313564 /nfs/dbraw/zinc/31/35/64/1021313564.db2.gz KPNCYCBOPKFYDR-UHFFFAOYSA-N 1 2 341.459 3.852 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287894869 1021321034 /nfs/dbraw/zinc/32/10/34/1021321034.db2.gz OKIZWUKMHBLSPY-UHFFFAOYSA-N 1 2 337.423 3.599 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccco1)OCO2 ZINC000449634961 1032970320 /nfs/dbraw/zinc/97/03/20/1032970320.db2.gz AXAXBSWHEANWCC-SFHVURJKSA-N 1 2 327.380 3.744 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1c1ccco1)OCO2 ZINC000449634961 1032970331 /nfs/dbraw/zinc/97/03/31/1032970331.db2.gz AXAXBSWHEANWCC-SFHVURJKSA-N 1 2 327.380 3.744 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc(C)ncn2)c2ccccc2OC)cc1 ZINC000427414427 1021375191 /nfs/dbraw/zinc/37/51/91/1021375191.db2.gz MROAYCZHQUXDIW-OAQYLSRUSA-N 1 2 349.434 3.681 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(O)c(C)c2)c(C)c1 ZINC000436935942 1021397840 /nfs/dbraw/zinc/39/78/40/1021397840.db2.gz FEJQNNYYGFQXKF-IBGZPJMESA-N 1 2 349.434 3.685 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1c(F)cccc1F ZINC000341309563 1021398417 /nfs/dbraw/zinc/39/84/17/1021398417.db2.gz YBESALFNYPXAEK-ACJLOTCBSA-N 1 2 344.405 3.809 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000426376538 1021415279 /nfs/dbraw/zinc/41/52/79/1021415279.db2.gz JUSLFHNQTGEBLG-UHFFFAOYSA-N 1 2 339.222 3.661 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000426376538 1021415285 /nfs/dbraw/zinc/41/52/85/1021415285.db2.gz JUSLFHNQTGEBLG-UHFFFAOYSA-N 1 2 339.222 3.661 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cncc(C(F)(F)F)c1 ZINC000341321823 1021422085 /nfs/dbraw/zinc/42/20/85/1021422085.db2.gz OAAIASYIKSWFNZ-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000507670022 1021427079 /nfs/dbraw/zinc/42/70/79/1021427079.db2.gz RUWCCPDQPIZZKU-QGZVFWFLSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000507670022 1021427092 /nfs/dbraw/zinc/42/70/92/1021427092.db2.gz RUWCCPDQPIZZKU-QGZVFWFLSA-N 1 2 330.497 3.785 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000426381226 1021439024 /nfs/dbraw/zinc/43/90/24/1021439024.db2.gz VZFKPXKYBRNKNU-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000426381226 1021439038 /nfs/dbraw/zinc/43/90/38/1021439038.db2.gz VZFKPXKYBRNKNU-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO COc1ccc(Cn2cc(NCc3c[nH+]c4ccc(C)cn34)cn2)cc1 ZINC000341333998 1021449907 /nfs/dbraw/zinc/44/99/07/1021449907.db2.gz GUEOPRDFPHARMK-UHFFFAOYSA-N 1 2 347.422 3.508 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000507701819 1021453865 /nfs/dbraw/zinc/45/38/65/1021453865.db2.gz KVVGXQSVRHZBPB-INIZCTEOSA-N 1 2 330.497 3.678 20 0 EHADLO Cn1c[nH+]cc1CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000439543153 1021532280 /nfs/dbraw/zinc/53/22/80/1021532280.db2.gz RGKBPPPQYYZQDI-UHFFFAOYSA-N 1 2 337.408 3.553 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000015296310 1021539913 /nfs/dbraw/zinc/53/99/13/1021539913.db2.gz OATDEQLEPYUNCI-KRWDZBQOSA-N 1 2 340.467 3.621 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000015296310 1021539930 /nfs/dbraw/zinc/53/99/30/1021539930.db2.gz OATDEQLEPYUNCI-KRWDZBQOSA-N 1 2 340.467 3.621 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425720842 1021556645 /nfs/dbraw/zinc/55/66/45/1021556645.db2.gz SUQQGBDVHWNGGM-UHFFFAOYSA-N 1 2 348.834 3.621 20 0 EHADLO O=C(CCOc1ccc(Cl)cc1)NCCCCNc1cccc[nH+]1 ZINC000078493332 1021564115 /nfs/dbraw/zinc/56/41/15/1021564115.db2.gz YAVOCWHDNTYEJO-UHFFFAOYSA-N 1 2 347.846 3.512 20 0 EHADLO CC[C@@H](F)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000440523001 1021583812 /nfs/dbraw/zinc/58/38/12/1021583812.db2.gz XPCCONDRRZJPJF-BXKDBHETSA-N 1 2 342.212 3.898 20 0 EHADLO Clc1cccnc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000426450975 1021619339 /nfs/dbraw/zinc/61/93/39/1021619339.db2.gz ODEVWDXGPSCYPC-UHFFFAOYSA-N 1 2 337.770 3.697 20 0 EHADLO CCCCn1c(SCc2cc(C)on2)nnc1[C@@H](CC)[NH+](C)C ZINC000078966080 1021624470 /nfs/dbraw/zinc/62/44/70/1021624470.db2.gz BVKQGVYYYNQQAM-CQSZACIVSA-N 1 2 337.493 3.680 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000440571881 1021627159 /nfs/dbraw/zinc/62/71/59/1021627159.db2.gz ONLIAEDHJLNCMG-UHFFFAOYSA-N 1 2 343.448 3.833 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000440571881 1021627167 /nfs/dbraw/zinc/62/71/67/1021627167.db2.gz ONLIAEDHJLNCMG-UHFFFAOYSA-N 1 2 343.448 3.833 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c1 ZINC000543893160 1021650172 /nfs/dbraw/zinc/65/01/72/1021650172.db2.gz FEXWNIVYRJHJJY-UHFFFAOYSA-N 1 2 341.386 3.714 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000064998150 1021665053 /nfs/dbraw/zinc/66/50/53/1021665053.db2.gz YQDHCSNZORQISC-UHFFFAOYSA-N 1 2 342.439 3.816 20 0 EHADLO CCC(CC)(C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000440633382 1021665869 /nfs/dbraw/zinc/66/58/69/1021665869.db2.gz DTDXCNWRRMMBJC-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO CC(F)(F)c1c(F)cccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000828293952 1021719488 /nfs/dbraw/zinc/71/94/88/1021719488.db2.gz ANYDVPYFIIIABK-UHFFFAOYSA-N 1 2 337.345 3.651 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000366660234 1021719847 /nfs/dbraw/zinc/71/98/47/1021719847.db2.gz APVINTMCILBOFI-SFHVURJKSA-N 1 2 349.434 3.576 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CCC1=O ZINC000516788822 1021730057 /nfs/dbraw/zinc/73/00/57/1021730057.db2.gz PRFIWPYARVXKDM-OAHLLOKOSA-N 1 2 327.399 3.816 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CCC1=O ZINC000516788822 1021730069 /nfs/dbraw/zinc/73/00/69/1021730069.db2.gz PRFIWPYARVXKDM-OAHLLOKOSA-N 1 2 327.399 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469459469 1021739635 /nfs/dbraw/zinc/73/96/35/1021739635.db2.gz SQGDLSHJEDQZJU-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469459469 1021739651 /nfs/dbraw/zinc/73/96/51/1021739651.db2.gz SQGDLSHJEDQZJU-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(F)c1 ZINC000729480775 1021744533 /nfs/dbraw/zinc/74/45/33/1021744533.db2.gz RBTQIHSTTPBYMK-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(F)c1 ZINC000729480775 1021744544 /nfs/dbraw/zinc/74/45/44/1021744544.db2.gz RBTQIHSTTPBYMK-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO COCc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)no1 ZINC000298099505 1021765628 /nfs/dbraw/zinc/76/56/28/1021765628.db2.gz NLAAOBYSZBGYJI-KDOFPFPSSA-N 1 2 330.428 3.803 20 0 EHADLO COCc1cc(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)no1 ZINC000298099505 1021765646 /nfs/dbraw/zinc/76/56/46/1021765646.db2.gz NLAAOBYSZBGYJI-KDOFPFPSSA-N 1 2 330.428 3.803 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2CCCC2)c(C)c1 ZINC000440808637 1021799622 /nfs/dbraw/zinc/79/96/22/1021799622.db2.gz QVNTXFSSMKMQNE-IBGZPJMESA-N 1 2 340.471 3.731 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccco1 ZINC000440812437 1021804340 /nfs/dbraw/zinc/80/43/40/1021804340.db2.gz VKPZMPFOJQPLSM-LBPRGKRZSA-N 1 2 331.338 3.525 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2nccs2)c(C)c1 ZINC000440861155 1021822128 /nfs/dbraw/zinc/82/21/28/1021822128.db2.gz QROFQJSBFYUNKL-HNNXBMFYSA-N 1 2 341.440 3.519 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C(C)C)c(C)c1 ZINC000440878595 1021837744 /nfs/dbraw/zinc/83/77/44/1021837744.db2.gz NJQIJRYFBRONCK-PKOBYXMFSA-N 1 2 342.487 3.833 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440895069 1021851652 /nfs/dbraw/zinc/85/16/52/1021851652.db2.gz ORAIFNHMIBKOGY-DLBZAZTESA-N 1 2 340.467 3.861 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440895069 1021851666 /nfs/dbraw/zinc/85/16/66/1021851666.db2.gz ORAIFNHMIBKOGY-DLBZAZTESA-N 1 2 340.467 3.861 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000440895338 1021852299 /nfs/dbraw/zinc/85/22/99/1021852299.db2.gz YIUNVQOOPULKGX-HNAYVOBHSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000440895338 1021852316 /nfs/dbraw/zinc/85/23/16/1021852316.db2.gz YIUNVQOOPULKGX-HNAYVOBHSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000440916146 1021865370 /nfs/dbraw/zinc/86/53/70/1021865370.db2.gz JGCBEICTELKIAM-RYRKJORJSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000440916146 1021865391 /nfs/dbraw/zinc/86/53/91/1021865391.db2.gz JGCBEICTELKIAM-RYRKJORJSA-N 1 2 348.487 3.517 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000519135453 1021886517 /nfs/dbraw/zinc/88/65/17/1021886517.db2.gz BNZQELURZWGDCV-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO CCCCc1ccc2nc(NC(=O)CCc3c[nH+]cn3C)sc2c1 ZINC000684431234 1021892607 /nfs/dbraw/zinc/89/26/07/1021892607.db2.gz NIRUNYZFJVCTFE-UHFFFAOYSA-N 1 2 342.468 3.944 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000519206118 1021933419 /nfs/dbraw/zinc/93/34/19/1021933419.db2.gz MKHRDGUNLBCVHL-RCCFBDPRSA-N 1 2 344.503 3.932 20 0 EHADLO COCC[N@H+](Cc1cnc(CC(C)C)s1)Cc1scnc1C ZINC000426567633 1021938499 /nfs/dbraw/zinc/93/84/99/1021938499.db2.gz LPUOBEWNVCLZCX-UHFFFAOYSA-N 1 2 339.530 3.755 20 0 EHADLO COCC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1scnc1C ZINC000426567633 1021938506 /nfs/dbraw/zinc/93/85/06/1021938506.db2.gz LPUOBEWNVCLZCX-UHFFFAOYSA-N 1 2 339.530 3.755 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441050702 1021956304 /nfs/dbraw/zinc/95/63/04/1021956304.db2.gz OPZWTTBOAWVEIX-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000441050702 1021956310 /nfs/dbraw/zinc/95/63/10/1021956310.db2.gz OPZWTTBOAWVEIX-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)[nH]1 ZINC000519267922 1021966420 /nfs/dbraw/zinc/96/64/20/1021966420.db2.gz OFZGAHSHTMVIPW-XQQFMLRXSA-N 1 2 344.459 3.501 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)[nH]1 ZINC000519267921 1021966554 /nfs/dbraw/zinc/96/65/54/1021966554.db2.gz OFZGAHSHTMVIPW-RWMBFGLXSA-N 1 2 344.459 3.501 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000140104808 1033021170 /nfs/dbraw/zinc/02/11/70/1033021170.db2.gz NQSJHBRLDOCNQC-UHFFFAOYSA-N 1 2 347.466 3.672 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000140104808 1033021185 /nfs/dbraw/zinc/02/11/85/1033021185.db2.gz NQSJHBRLDOCNQC-UHFFFAOYSA-N 1 2 347.466 3.672 20 0 EHADLO CCS(=O)(=O)c1cccc(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000341470950 1022012100 /nfs/dbraw/zinc/01/21/00/1022012100.db2.gz CDDOUNICCIPOPQ-UHFFFAOYSA-N 1 2 341.835 3.563 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000517197714 1022108990 /nfs/dbraw/zinc/10/89/90/1022108990.db2.gz WWMQSGKEQWIGDZ-LBPRGKRZSA-N 1 2 339.407 3.633 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000517197714 1022108999 /nfs/dbraw/zinc/10/89/99/1022108999.db2.gz WWMQSGKEQWIGDZ-LBPRGKRZSA-N 1 2 339.407 3.633 20 0 EHADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299696245 1022113907 /nfs/dbraw/zinc/11/39/07/1022113907.db2.gz YHESBXVBJJCPSE-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO CC(C)C1(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000440363279 1022120136 /nfs/dbraw/zinc/12/01/36/1022120136.db2.gz IDLCOXBJHIGOKG-MRXNPFEDSA-N 1 2 345.487 3.638 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143401950 1022155498 /nfs/dbraw/zinc/15/54/98/1022155498.db2.gz AFIXDUUWJWLWDG-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143401950 1022155503 /nfs/dbraw/zinc/15/55/03/1022155503.db2.gz AFIXDUUWJWLWDG-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO O=C(CC1=CCCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000520349173 1022165031 /nfs/dbraw/zinc/16/50/31/1022165031.db2.gz VEBNMDYHBRBRDO-MRXNPFEDSA-N 1 2 348.437 3.936 20 0 EHADLO O=C(CC1=CCCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000520349173 1022165035 /nfs/dbraw/zinc/16/50/35/1022165035.db2.gz VEBNMDYHBRBRDO-MRXNPFEDSA-N 1 2 348.437 3.936 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000187593229 1022206513 /nfs/dbraw/zinc/20/65/13/1022206513.db2.gz MMVZZEAETGOBRT-LJQANCHMSA-N 1 2 343.377 3.586 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000441415654 1022226768 /nfs/dbraw/zinc/22/67/68/1022226768.db2.gz BJORGQDAVLTFCH-QGZVFWFLSA-N 1 2 332.492 3.520 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143402974 1022235236 /nfs/dbraw/zinc/23/52/36/1022235236.db2.gz SBFQIYCYJIRUEK-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143402974 1022235250 /nfs/dbraw/zinc/23/52/50/1022235250.db2.gz SBFQIYCYJIRUEK-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO OCC[C@H]([NH2+]Cc1nccn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000894415199 1022236444 /nfs/dbraw/zinc/23/64/44/1022236444.db2.gz XIYZDEWTJOOEEG-HNNXBMFYSA-N 1 2 340.254 3.738 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000187846002 1022254333 /nfs/dbraw/zinc/25/43/33/1022254333.db2.gz XLSWECPHJDOKAA-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919045 1033041676 /nfs/dbraw/zinc/04/16/76/1033041676.db2.gz ZNIFAGUWNKIRAK-HUUCEWRRSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919045 1033041692 /nfs/dbraw/zinc/04/16/92/1033041692.db2.gz ZNIFAGUWNKIRAK-HUUCEWRRSA-N 1 2 329.419 3.517 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000894425480 1022267786 /nfs/dbraw/zinc/26/77/86/1022267786.db2.gz VZFHXBLKTWCOTL-UHFFFAOYSA-N 1 2 331.435 3.853 20 0 EHADLO C[C@H](C1CCC1)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458873141 1022314161 /nfs/dbraw/zinc/31/41/61/1022314161.db2.gz BVAMPPXAFBYOPF-CYBMUJFWSA-N 1 2 346.862 3.856 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)cc(F)c2OC)CC1 ZINC001143568276 1022314852 /nfs/dbraw/zinc/31/48/52/1022314852.db2.gz RERBWJHRQICVJU-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000341565149 1022338625 /nfs/dbraw/zinc/33/86/25/1022338625.db2.gz NRKNGUHBBSJPRO-OAHLLOKOSA-N 1 2 330.497 3.571 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000341565149 1022338642 /nfs/dbraw/zinc/33/86/42/1022338642.db2.gz NRKNGUHBBSJPRO-OAHLLOKOSA-N 1 2 330.497 3.571 20 0 EHADLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000302839182 1022359401 /nfs/dbraw/zinc/35/94/01/1022359401.db2.gz VDGVAOZMAYKXAN-UHFFFAOYSA-N 1 2 329.400 3.506 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000302839182 1022359406 /nfs/dbraw/zinc/35/94/06/1022359406.db2.gz VDGVAOZMAYKXAN-UHFFFAOYSA-N 1 2 329.400 3.506 20 0 EHADLO COc1ccc(F)c(F)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001143405473 1022369928 /nfs/dbraw/zinc/36/99/28/1022369928.db2.gz XWIIUESZWWVNLZ-UHFFFAOYSA-N 1 2 347.405 3.543 20 0 EHADLO COc1ccccc1-c1nc(C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000276715856 1022378951 /nfs/dbraw/zinc/37/89/51/1022378951.db2.gz JWYRQUGOLMBVKU-UHFFFAOYSA-N 1 2 336.395 3.524 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449694236 1033054445 /nfs/dbraw/zinc/05/44/45/1033054445.db2.gz AYEOFDKVZXGBAN-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO CC(C)Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000550390460 1022411419 /nfs/dbraw/zinc/41/14/19/1022411419.db2.gz CNGOZYJZZKPPEL-HNNXBMFYSA-N 1 2 335.835 3.575 20 0 EHADLO CC(C)Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000550390460 1022411423 /nfs/dbraw/zinc/41/14/23/1022411423.db2.gz CNGOZYJZZKPPEL-HNNXBMFYSA-N 1 2 335.835 3.575 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634752416 1022412626 /nfs/dbraw/zinc/41/26/26/1022412626.db2.gz LCIMCPPWBNSLNB-ZDUSSCGKSA-N 1 2 328.384 3.568 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634752416 1022412641 /nfs/dbraw/zinc/41/26/41/1022412641.db2.gz LCIMCPPWBNSLNB-ZDUSSCGKSA-N 1 2 328.384 3.568 20 0 EHADLO CC(C)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000664820979 1022415292 /nfs/dbraw/zinc/41/52/92/1022415292.db2.gz RFQIFLDIOUKOQC-DLBZAZTESA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000664820979 1022415301 /nfs/dbraw/zinc/41/53/01/1022415301.db2.gz RFQIFLDIOUKOQC-DLBZAZTESA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCOC(C)(C)C1 ZINC000891706714 1022417773 /nfs/dbraw/zinc/41/77/73/1022417773.db2.gz NYCGXGVFDDJPKT-UHFFFAOYSA-N 1 2 326.462 3.706 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCOC(C)(C)C1 ZINC000891706714 1022417778 /nfs/dbraw/zinc/41/77/78/1022417778.db2.gz NYCGXGVFDDJPKT-UHFFFAOYSA-N 1 2 326.462 3.706 20 0 EHADLO COCc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1 ZINC000550105469 1022452747 /nfs/dbraw/zinc/45/27/47/1022452747.db2.gz IDWIIIIHTHRNIF-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)[nH]n1 ZINC000891723155 1022462818 /nfs/dbraw/zinc/46/28/18/1022462818.db2.gz IFVRPGHJVKKXRL-QGZVFWFLSA-N 1 2 334.423 3.977 20 0 EHADLO c1cc([C@@H]2CCC[N@H+](Cc3cccc(Oc4ccccn4)c3)C2)[nH]n1 ZINC000891723155 1022462827 /nfs/dbraw/zinc/46/28/27/1022462827.db2.gz IFVRPGHJVKKXRL-QGZVFWFLSA-N 1 2 334.423 3.977 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)o1 ZINC000328677260 1022463576 /nfs/dbraw/zinc/46/35/76/1022463576.db2.gz ALTUMOSTGGTRLP-MEDUHNTESA-N 1 2 326.400 3.536 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3CCCC34CCOCC4)c12 ZINC000328679200 1022466563 /nfs/dbraw/zinc/46/65/63/1022466563.db2.gz TYJNGUNHOWZZQO-QGZVFWFLSA-N 1 2 349.438 3.577 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)C2CC2)o1 ZINC000086234078 1022503690 /nfs/dbraw/zinc/50/36/90/1022503690.db2.gz CHZXHZWFJFJSDG-OAHLLOKOSA-N 1 2 342.439 3.898 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)C2CC2)o1 ZINC000086234078 1022503702 /nfs/dbraw/zinc/50/37/02/1022503702.db2.gz CHZXHZWFJFJSDG-OAHLLOKOSA-N 1 2 342.439 3.898 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828457 1022507412 /nfs/dbraw/zinc/50/74/12/1022507412.db2.gz HWIAVVQZZIOYFW-CRAIPNDOSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828457 1022507413 /nfs/dbraw/zinc/50/74/13/1022507413.db2.gz HWIAVVQZZIOYFW-CRAIPNDOSA-N 1 2 329.488 3.644 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000506202802 1022532804 /nfs/dbraw/zinc/53/28/04/1022532804.db2.gz DKABDEOKYGYGDW-UHFFFAOYSA-N 1 2 345.439 3.743 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000506202802 1022532819 /nfs/dbraw/zinc/53/28/19/1022532819.db2.gz DKABDEOKYGYGDW-UHFFFAOYSA-N 1 2 345.439 3.743 20 0 EHADLO CNc1cc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[nH+]cn1 ZINC000891761693 1022578911 /nfs/dbraw/zinc/57/89/11/1022578911.db2.gz DWKXSPZIDWIANT-HTQZYQBOSA-N 1 2 342.287 3.840 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000316 1022611022 /nfs/dbraw/zinc/61/10/22/1022611022.db2.gz MPEROHBIQPZWLS-HPBDAGMYSA-N 1 2 341.455 3.935 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000316 1022611035 /nfs/dbraw/zinc/61/10/35/1022611035.db2.gz MPEROHBIQPZWLS-HPBDAGMYSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000610004679 1123711317 /nfs/dbraw/zinc/71/13/17/1123711317.db2.gz XFDZMUWMVPHCIT-GIGQVBGESA-N 1 2 338.325 3.538 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751645 1022622987 /nfs/dbraw/zinc/62/29/87/1022622987.db2.gz ZINIEMGJMRKXSA-MSOLQXFVSA-N 1 2 338.455 3.519 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000430726909 1022635832 /nfs/dbraw/zinc/63/58/32/1022635832.db2.gz WRJXWEFDGFINQZ-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000430726909 1022635836 /nfs/dbraw/zinc/63/58/36/1022635836.db2.gz WRJXWEFDGFINQZ-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO Cc1cc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000894634722 1022646839 /nfs/dbraw/zinc/64/68/39/1022646839.db2.gz NVICQJVDBXCAFQ-WCQYABFASA-N 1 2 329.366 3.599 20 0 EHADLO CCC(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005358 1022665255 /nfs/dbraw/zinc/66/52/55/1022665255.db2.gz LFBAACLJOFICPS-YOEHRIQHSA-N 1 2 329.444 3.935 20 0 EHADLO CCC(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005358 1022665262 /nfs/dbraw/zinc/66/52/62/1022665262.db2.gz LFBAACLJOFICPS-YOEHRIQHSA-N 1 2 329.444 3.935 20 0 EHADLO OC1CCC2(CC1)CC[NH+](Cc1csc(C(F)(F)F)n1)CC2 ZINC000894669452 1022685176 /nfs/dbraw/zinc/68/51/76/1022685176.db2.gz SIAOWUFZURSCPI-UHFFFAOYSA-N 1 2 334.407 3.679 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000438476891 1022711740 /nfs/dbraw/zinc/71/17/40/1022711740.db2.gz JIVOWMLIROZKJD-FPOVZHCZSA-N 1 2 338.451 3.641 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000438476891 1022711754 /nfs/dbraw/zinc/71/17/54/1022711754.db2.gz JIVOWMLIROZKJD-FPOVZHCZSA-N 1 2 338.451 3.641 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000052994161 1022743658 /nfs/dbraw/zinc/74/36/58/1022743658.db2.gz BZWHUNJTFKZZDH-UHFFFAOYSA-N 1 2 330.453 3.913 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000052994161 1022743667 /nfs/dbraw/zinc/74/36/67/1022743667.db2.gz BZWHUNJTFKZZDH-UHFFFAOYSA-N 1 2 330.453 3.913 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510620007 1022768619 /nfs/dbraw/zinc/76/86/19/1022768619.db2.gz PWPNASCKJZAVSP-SJORKVTESA-N 1 2 342.266 3.862 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510620007 1022768631 /nfs/dbraw/zinc/76/86/31/1022768631.db2.gz PWPNASCKJZAVSP-SJORKVTESA-N 1 2 342.266 3.862 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c(C)s1 ZINC000347349887 1033082394 /nfs/dbraw/zinc/08/23/94/1033082394.db2.gz WBSOIRPUNMWEAL-GJZGRUSLSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c(C)s1 ZINC000347349887 1033082405 /nfs/dbraw/zinc/08/24/05/1033082405.db2.gz WBSOIRPUNMWEAL-GJZGRUSLSA-N 1 2 334.510 3.761 20 0 EHADLO CCCCc1nc(C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000441444880 1022834439 /nfs/dbraw/zinc/83/44/39/1022834439.db2.gz XPDJQYBBTXEXGN-OFLPRAFFSA-N 1 2 335.492 3.972 20 0 EHADLO CCCCc1nc(C[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000441444880 1022834456 /nfs/dbraw/zinc/83/44/56/1022834456.db2.gz XPDJQYBBTXEXGN-OFLPRAFFSA-N 1 2 335.492 3.972 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1NCCC2 ZINC000894739405 1022834577 /nfs/dbraw/zinc/83/45/77/1022834577.db2.gz MKZIDHUDLJNEJV-UHFFFAOYSA-N 1 2 340.452 3.788 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1NCCC2 ZINC000894739405 1022834593 /nfs/dbraw/zinc/83/45/93/1022834593.db2.gz MKZIDHUDLJNEJV-UHFFFAOYSA-N 1 2 340.452 3.788 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000517943125 1022869946 /nfs/dbraw/zinc/86/99/46/1022869946.db2.gz MACIKKMUBZBTAB-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000517975953 1022890351 /nfs/dbraw/zinc/89/03/51/1022890351.db2.gz GYMWZCYIHTWKCR-HNNXBMFYSA-N 1 2 333.391 3.759 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458603 1022896765 /nfs/dbraw/zinc/89/67/65/1022896765.db2.gz JQFKQMGFRQUMAF-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458603 1022896785 /nfs/dbraw/zinc/89/67/85/1022896785.db2.gz JQFKQMGFRQUMAF-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CC3CCC1CC3)C2 ZINC000574407645 1033093473 /nfs/dbraw/zinc/09/34/73/1033093473.db2.gz DDQRQUZBKPUXDY-WMUVLYSMSA-N 1 2 343.515 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H]1CC3CCC1CC3)CC2 ZINC000574407645 1033093483 /nfs/dbraw/zinc/09/34/83/1033093483.db2.gz DDQRQUZBKPUXDY-WMUVLYSMSA-N 1 2 343.515 3.969 20 0 EHADLO CC[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(OC)c(OC)c1 ZINC000343264106 1022944786 /nfs/dbraw/zinc/94/47/86/1022944786.db2.gz JQJWWGITPUVNSX-HNNXBMFYSA-N 1 2 342.443 3.879 20 0 EHADLO CC[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(OC)c(OC)c1 ZINC000343264106 1022944801 /nfs/dbraw/zinc/94/48/01/1022944801.db2.gz JQJWWGITPUVNSX-HNNXBMFYSA-N 1 2 342.443 3.879 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@H]1CC3CCC1CC3)C2 ZINC000574407643 1033093825 /nfs/dbraw/zinc/09/38/25/1033093825.db2.gz DDQRQUZBKPUXDY-LMCYLSQRSA-N 1 2 343.515 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H]1CC3CCC1CC3)CC2 ZINC000574407643 1033093837 /nfs/dbraw/zinc/09/38/37/1033093837.db2.gz DDQRQUZBKPUXDY-LMCYLSQRSA-N 1 2 343.515 3.969 20 0 EHADLO O=C(COc1cc[nH+]cc1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000518053559 1022951092 /nfs/dbraw/zinc/95/10/92/1022951092.db2.gz NCORYONTTRAAAD-IBGZPJMESA-N 1 2 328.387 3.647 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)Nc3ccn4cc[nH+]c4c3)cs2)cc1 ZINC000506889023 1022992852 /nfs/dbraw/zinc/99/28/52/1022992852.db2.gz DDBYRQIZIHXCFR-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000510722489 1022998208 /nfs/dbraw/zinc/99/82/08/1022998208.db2.gz XFIQBTMSTLHPLK-ZIFCJYIRSA-N 1 2 337.467 3.648 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)Cc2ncccc2C(F)(F)F)c1 ZINC001140478302 1023017437 /nfs/dbraw/zinc/01/74/37/1023017437.db2.gz OKBZRIIVDUTUSA-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)c1 ZINC001140478302 1023017447 /nfs/dbraw/zinc/01/74/47/1023017447.db2.gz OKBZRIIVDUTUSA-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO Cc1sccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294388295 1023029549 /nfs/dbraw/zinc/02/95/49/1023029549.db2.gz INUZKBFXBMBUFT-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1sccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294388295 1023029561 /nfs/dbraw/zinc/02/95/61/1023029561.db2.gz INUZKBFXBMBUFT-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)CC(C)C)c(C)c1 ZINC000506375991 1023031696 /nfs/dbraw/zinc/03/16/96/1023031696.db2.gz XPXHEZYMSPMESK-MJGOQNOKSA-N 1 2 342.487 3.975 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccccc1C(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426175150 1023042141 /nfs/dbraw/zinc/04/21/41/1023042141.db2.gz RHKDYQCYFIZYEB-FUHWJXTLSA-N 1 2 332.488 3.662 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccccc1C(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000426175150 1023042150 /nfs/dbraw/zinc/04/21/50/1023042150.db2.gz RHKDYQCYFIZYEB-FUHWJXTLSA-N 1 2 332.488 3.662 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc2cc(Br)ccc2o1 ZINC000213113279 1023052696 /nfs/dbraw/zinc/05/26/96/1023052696.db2.gz BQWXIACYDYJRJT-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875727 1023064103 /nfs/dbraw/zinc/06/41/03/1023064103.db2.gz FBBMBPYCCCGWKW-RDJZCZTQSA-N 1 2 326.444 3.907 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1F)c1cccc(OC)c1 ZINC000510745801 1023090017 /nfs/dbraw/zinc/09/00/17/1023090017.db2.gz DVZNSHUCDRGZIP-LJQANCHMSA-N 1 2 349.377 3.542 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CF)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009886 1023105419 /nfs/dbraw/zinc/10/54/19/1023105419.db2.gz GSZALYNCZDQKGN-IEBWSBKVSA-N 1 2 336.426 3.607 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009886 1023105425 /nfs/dbraw/zinc/10/54/25/1023105425.db2.gz GSZALYNCZDQKGN-IEBWSBKVSA-N 1 2 336.426 3.607 20 0 EHADLO COc1ccc2c(C[N@H+](C)Cc3ccc(F)cc3F)cc(=O)oc2c1 ZINC000024950436 1023113212 /nfs/dbraw/zinc/11/32/12/1023113212.db2.gz FNMAKQJFERCSCI-UHFFFAOYSA-N 1 2 345.345 3.712 20 0 EHADLO COc1ccc2c(C[N@@H+](C)Cc3ccc(F)cc3F)cc(=O)oc2c1 ZINC000024950436 1023113217 /nfs/dbraw/zinc/11/32/17/1023113217.db2.gz FNMAKQJFERCSCI-UHFFFAOYSA-N 1 2 345.345 3.712 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091890876 1023143357 /nfs/dbraw/zinc/14/33/57/1023143357.db2.gz ZBCVFONJLOADQX-AWEZNQCLSA-N 1 2 326.415 3.773 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091890876 1023143361 /nfs/dbraw/zinc/14/33/61/1023143361.db2.gz ZBCVFONJLOADQX-AWEZNQCLSA-N 1 2 326.415 3.773 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000427007500 1023154958 /nfs/dbraw/zinc/15/49/58/1023154958.db2.gz HOACYEJULAUEHD-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000427007500 1023154962 /nfs/dbraw/zinc/15/49/62/1023154962.db2.gz HOACYEJULAUEHD-AUUYWEPGSA-N 1 2 343.423 3.591 20 0 EHADLO CCC1(C)CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000507177253 1023163669 /nfs/dbraw/zinc/16/36/69/1023163669.db2.gz CHAULGXVQJPPFS-UHFFFAOYSA-N 1 2 339.277 3.900 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441484331 1023171113 /nfs/dbraw/zinc/17/11/13/1023171113.db2.gz AEDKNZPVUGLDKS-NRFANRHFSA-N 1 2 347.462 3.909 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933289 1033111511 /nfs/dbraw/zinc/11/15/11/1033111511.db2.gz PFGJWWXFWULXHL-SMNXXWJPSA-N 1 2 348.393 3.613 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933289 1033111523 /nfs/dbraw/zinc/11/15/23/1033111523.db2.gz PFGJWWXFWULXHL-SMNXXWJPSA-N 1 2 348.393 3.613 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1CC ZINC000341728257 1023200711 /nfs/dbraw/zinc/20/07/11/1023200711.db2.gz KDIMHAICZHUBNR-MRXNPFEDSA-N 1 2 326.444 3.566 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)C1CCCCC1 ZINC000190482081 1023207214 /nfs/dbraw/zinc/20/72/14/1023207214.db2.gz GBSWDHKWMGWSCF-MRXNPFEDSA-N 1 2 334.508 3.836 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC(C)(C)CC1 ZINC000190482645 1023207858 /nfs/dbraw/zinc/20/78/58/1023207858.db2.gz RIDVKSMAVANBQW-UHFFFAOYSA-N 1 2 334.508 3.836 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C)o1 ZINC000438998398 1023210392 /nfs/dbraw/zinc/21/03/92/1023210392.db2.gz IUUFADDXUVYXSM-GUYCJALGSA-N 1 2 346.427 3.593 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441492467 1023237298 /nfs/dbraw/zinc/23/72/98/1023237298.db2.gz QWIAACNMDGVCQQ-HKUYNNGSSA-N 1 2 343.471 3.563 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000439062222 1023238901 /nfs/dbraw/zinc/23/89/01/1023238901.db2.gz XBOSEOCAGDHOEJ-UHFFFAOYSA-N 1 2 327.428 3.567 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000439062222 1023238912 /nfs/dbraw/zinc/23/89/12/1023238912.db2.gz XBOSEOCAGDHOEJ-UHFFFAOYSA-N 1 2 327.428 3.567 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccco2)C2CCCC2)c[nH+]1 ZINC000459073528 1023247757 /nfs/dbraw/zinc/24/77/57/1023247757.db2.gz JQECHRJLKVUVGW-UHFFFAOYSA-N 1 2 327.428 3.946 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000054546761 1033143695 /nfs/dbraw/zinc/14/36/95/1033143695.db2.gz ZTYUGEBYFLCSQE-KRWDZBQOSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000054546761 1033143699 /nfs/dbraw/zinc/14/36/99/1033143699.db2.gz ZTYUGEBYFLCSQE-KRWDZBQOSA-N 1 2 346.475 3.861 20 0 EHADLO Fc1cccc([C@H]([NH2+]Cc2ccc3[nH]cnc3c2)c2ccccn2)c1 ZINC000535735353 1023598145 /nfs/dbraw/zinc/59/81/45/1023598145.db2.gz MDJMRYNCBFONJF-FQEVSTJZSA-N 1 2 332.382 3.976 20 0 EHADLO Fc1cccc([C@H]([NH2+]Cc2ccc3nc[nH]c3c2)c2ccccn2)c1 ZINC000535735353 1023598151 /nfs/dbraw/zinc/59/81/51/1023598151.db2.gz MDJMRYNCBFONJF-FQEVSTJZSA-N 1 2 332.382 3.976 20 0 EHADLO O=C(NCC1(c2ccncc2)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000535761080 1023611164 /nfs/dbraw/zinc/61/11/64/1023611164.db2.gz DTHUYBIYSNAYDS-UHFFFAOYSA-N 1 2 346.434 3.509 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c(C)c[nH+]1 ZINC000535774995 1023626887 /nfs/dbraw/zinc/62/68/87/1023626887.db2.gz MQZQKRBCBUVOCJ-LBPRGKRZSA-N 1 2 335.354 3.604 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2c(C(C)C)nc3sc(C)nn23)on1 ZINC000535788084 1023636092 /nfs/dbraw/zinc/63/60/92/1023636092.db2.gz YOBRNGXFUPVXKS-CYBMUJFWSA-N 1 2 345.472 3.856 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(C(C)C)nc3sc(C)nn23)on1 ZINC000535788084 1023636097 /nfs/dbraw/zinc/63/60/97/1023636097.db2.gz YOBRNGXFUPVXKS-CYBMUJFWSA-N 1 2 345.472 3.856 20 0 EHADLO CC(C)[C@@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CS1 ZINC000277058621 1023726889 /nfs/dbraw/zinc/72/68/89/1023726889.db2.gz DCAMWYBNSACROM-YJBOKZPZSA-N 1 2 331.485 3.904 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341978957 1023739464 /nfs/dbraw/zinc/73/94/64/1023739464.db2.gz XLDIOULPJAICIB-HNNXBMFYSA-N 1 2 346.496 3.625 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341978957 1023739471 /nfs/dbraw/zinc/73/94/71/1023739471.db2.gz XLDIOULPJAICIB-HNNXBMFYSA-N 1 2 346.496 3.625 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000602786798 1033160916 /nfs/dbraw/zinc/16/09/16/1033160916.db2.gz YKWFONVOBFGQDV-JSGCOSHPSA-N 1 2 334.441 3.886 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000602786798 1033160928 /nfs/dbraw/zinc/16/09/28/1033160928.db2.gz YKWFONVOBFGQDV-JSGCOSHPSA-N 1 2 334.441 3.886 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000181074790 1023794380 /nfs/dbraw/zinc/79/43/80/1023794380.db2.gz SYNOWQMCPQFIFD-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO Cc1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1 ZINC000181074790 1023794383 /nfs/dbraw/zinc/79/43/83/1023794383.db2.gz SYNOWQMCPQFIFD-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccs3)C1)O[C@H](C)C2 ZINC000535825424 1023799380 /nfs/dbraw/zinc/79/93/80/1023799380.db2.gz CYYTXXRYVAECSN-FZKQIMNGSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccs3)C1)O[C@H](C)C2 ZINC000535825424 1023799386 /nfs/dbraw/zinc/79/93/86/1023799386.db2.gz CYYTXXRYVAECSN-FZKQIMNGSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449750740 1033164822 /nfs/dbraw/zinc/16/48/22/1033164822.db2.gz WCTSFEPIPDNVQP-UHFFFAOYSA-N 1 2 339.464 3.622 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccn1 ZINC000096993625 1023901748 /nfs/dbraw/zinc/90/17/48/1023901748.db2.gz RGJRUIDQQXOZCP-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccn1 ZINC000096993625 1023901756 /nfs/dbraw/zinc/90/17/56/1023901756.db2.gz RGJRUIDQQXOZCP-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884111 1023941281 /nfs/dbraw/zinc/94/12/81/1023941281.db2.gz AYPBXMLXDUKWFC-BLBBIFAFSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884111 1023941288 /nfs/dbraw/zinc/94/12/88/1023941288.db2.gz AYPBXMLXDUKWFC-BLBBIFAFSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(C(=O)OC)co1)c1ccc(Cl)s1 ZINC000602801509 1033175919 /nfs/dbraw/zinc/17/59/19/1033175919.db2.gz FBULDNVXBDQFGK-RKDXNWHRSA-N 1 2 328.821 3.978 20 0 EHADLO Cc1c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc(F)c1F ZINC000417543071 1023987522 /nfs/dbraw/zinc/98/75/22/1023987522.db2.gz UESGABFMJPJAFR-UHFFFAOYSA-N 1 2 346.381 3.590 20 0 EHADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001141619005 1023992377 /nfs/dbraw/zinc/99/23/77/1023992377.db2.gz VWRRRQWYTJTZGX-NSHDSACASA-N 1 2 336.229 3.596 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001141619005 1023992386 /nfs/dbraw/zinc/99/23/86/1023992386.db2.gz VWRRRQWYTJTZGX-NSHDSACASA-N 1 2 336.229 3.596 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000192348501 1023993550 /nfs/dbraw/zinc/99/35/50/1023993550.db2.gz NXQVJRVJTUEPSE-IRXDYDNUSA-N 1 2 334.508 3.693 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)cc1Br ZINC001141927919 1024029412 /nfs/dbraw/zinc/02/94/12/1024029412.db2.gz QBKUXHNVCUPBRV-OTYXRUKQSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)cc1Br ZINC001141927919 1024029426 /nfs/dbraw/zinc/02/94/26/1024029426.db2.gz QBKUXHNVCUPBRV-OTYXRUKQSA-N 1 2 348.643 3.852 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCCCCn1cc[nH+]c1 ZINC000520525147 1024046814 /nfs/dbraw/zinc/04/68/14/1024046814.db2.gz ZKBHSIDZHAIAEL-AOIWGVFYSA-N 1 2 340.471 3.639 20 0 EHADLO C[N@H+](CCC(F)(F)F)Cc1cc2c(cc1Br)OCO2 ZINC000514007206 1024048653 /nfs/dbraw/zinc/04/86/53/1024048653.db2.gz CCVPDKSHBSVNKP-UHFFFAOYSA-N 1 2 340.139 3.562 20 0 EHADLO C[N@@H+](CCC(F)(F)F)Cc1cc2c(cc1Br)OCO2 ZINC000514007206 1024048672 /nfs/dbraw/zinc/04/86/72/1024048672.db2.gz CCVPDKSHBSVNKP-UHFFFAOYSA-N 1 2 340.139 3.562 20 0 EHADLO C[C@H]1CCN(c2nc(C(F)F)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134023287 1024061521 /nfs/dbraw/zinc/06/15/21/1024061521.db2.gz QAYRTKQCXUMHRL-WFASDCNBSA-N 1 2 343.381 3.851 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151197092 1024074659 /nfs/dbraw/zinc/07/46/59/1024074659.db2.gz DUMYPLBHQMZEFE-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO CC(C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000135592762 1033181887 /nfs/dbraw/zinc/18/18/87/1033181887.db2.gz YTQFFLYFZZVYDL-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000550422086 1024113571 /nfs/dbraw/zinc/11/35/71/1024113571.db2.gz UBTKQIUGOLTFJQ-PWSUYJOCSA-N 1 2 341.274 3.598 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](c2ncccc2C)C(C)(C)C)c[nH+]1 ZINC000895255454 1024122568 /nfs/dbraw/zinc/12/25/68/1024122568.db2.gz WYVHJFAPYWYBCQ-GOSISDBHSA-N 1 2 340.471 3.988 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001143421744 1024124124 /nfs/dbraw/zinc/12/41/24/1024124124.db2.gz XAJPYZXTXJIAHT-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001143421744 1024124130 /nfs/dbraw/zinc/12/41/30/1024124130.db2.gz XAJPYZXTXJIAHT-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO COCCOc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1OC ZINC000414846826 1024125807 /nfs/dbraw/zinc/12/58/07/1024125807.db2.gz IFAXWBRBDQWFGS-UHFFFAOYSA-N 1 2 342.439 3.691 20 0 EHADLO COc1cccc(-n2c3ccccc3[nH+]c2NCc2cncs2)c1 ZINC000508449802 1024134517 /nfs/dbraw/zinc/13/45/17/1024134517.db2.gz AMTIIVSFLMTHTQ-UHFFFAOYSA-N 1 2 336.420 3.525 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1F ZINC001141743083 1024141842 /nfs/dbraw/zinc/14/18/42/1024141842.db2.gz CNCADDJWBQMOET-MFKMUULPSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1F ZINC001141743083 1024141837 /nfs/dbraw/zinc/14/18/37/1024141837.db2.gz CNCADDJWBQMOET-MFKMUULPSA-N 1 2 346.215 3.728 20 0 EHADLO Cc1cc(N2CCC(CO)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522648400 1024143407 /nfs/dbraw/zinc/14/34/07/1024143407.db2.gz JPCDGMUHBJJELQ-UHFFFAOYSA-N 1 2 340.345 3.651 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000151511068 1024164835 /nfs/dbraw/zinc/16/48/35/1024164835.db2.gz SGDWQVUPBZIRDP-CYBMUJFWSA-N 1 2 332.835 3.560 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614701040 1024207695 /nfs/dbraw/zinc/20/76/95/1024207695.db2.gz QBDBYBUIIPODNL-SJLPKXTDSA-N 1 2 345.874 3.797 20 0 EHADLO Cc1cc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC000093332391 1024208989 /nfs/dbraw/zinc/20/89/89/1024208989.db2.gz CSQLWSWUNTWVQX-UHFFFAOYSA-N 1 2 341.411 3.918 20 0 EHADLO C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342132136 1024210212 /nfs/dbraw/zinc/21/02/12/1024210212.db2.gz QBHLGOJLLNFATJ-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO CCn1c(C)cc(C(=O)C[NH+]2CCC(F)(c3cccnc3)CC2)c1C ZINC000342149110 1024244576 /nfs/dbraw/zinc/24/45/76/1024244576.db2.gz HWVLXRGOODLWQL-UHFFFAOYSA-N 1 2 343.446 3.663 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505468190 1024291010 /nfs/dbraw/zinc/29/10/10/1024291010.db2.gz JCVCJTSDTMABFQ-OXQOHEQNSA-N 1 2 340.442 3.801 20 0 EHADLO Fc1cccc2c1CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000892004019 1024295394 /nfs/dbraw/zinc/29/53/94/1024295394.db2.gz GAIXZCULWFKOAD-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO Fc1cccc2c1CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000892004019 1024295409 /nfs/dbraw/zinc/29/54/09/1024295409.db2.gz GAIXZCULWFKOAD-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000895334072 1024311544 /nfs/dbraw/zinc/31/15/44/1024311544.db2.gz GKBIIEFOPBFMGQ-UHFFFAOYSA-N 1 2 325.456 3.893 20 0 EHADLO CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1(C)C ZINC000366591234 1024326323 /nfs/dbraw/zinc/32/63/23/1024326323.db2.gz VYABYJHPDDLTCE-LSDHHAIUSA-N 1 2 325.412 3.575 20 0 EHADLO CCC1(C)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425161680 1024362595 /nfs/dbraw/zinc/36/25/95/1024362595.db2.gz YGCHJRUVNXGSMM-KRWDZBQOSA-N 1 2 325.456 3.970 20 0 EHADLO OCC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000342196320 1024370559 /nfs/dbraw/zinc/37/05/59/1024370559.db2.gz FJSPQIMAUHDJSJ-UHFFFAOYSA-N 1 2 341.842 3.520 20 0 EHADLO OCC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000342196320 1024370574 /nfs/dbraw/zinc/37/05/74/1024370574.db2.gz FJSPQIMAUHDJSJ-UHFFFAOYSA-N 1 2 341.842 3.520 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(-c3ccc(OC)cc3)no2)o1 ZINC000895367448 1024398174 /nfs/dbraw/zinc/39/81/74/1024398174.db2.gz WKFHTKMEYIFSPF-UHFFFAOYSA-N 1 2 328.368 3.632 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000425176003 1024402781 /nfs/dbraw/zinc/40/27/81/1024402781.db2.gz BYZTUIAABKLPLV-XUVXKRRUSA-N 1 2 345.446 3.679 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514368353 1024416265 /nfs/dbraw/zinc/41/62/65/1024416265.db2.gz NGAXJEJEXBSCGB-UHFFFAOYSA-N 1 2 346.393 3.666 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514368353 1024416270 /nfs/dbraw/zinc/41/62/70/1024416270.db2.gz NGAXJEJEXBSCGB-UHFFFAOYSA-N 1 2 346.393 3.666 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCOCC1 ZINC000520694772 1024437182 /nfs/dbraw/zinc/43/71/82/1024437182.db2.gz BXEFJFOEZPGFIZ-MRXNPFEDSA-N 1 2 339.439 3.642 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000346142096 1024443740 /nfs/dbraw/zinc/44/37/40/1024443740.db2.gz ONNLFCUUCLZSIG-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000346142096 1024443745 /nfs/dbraw/zinc/44/37/45/1024443745.db2.gz ONNLFCUUCLZSIG-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NCc1cccs1 ZINC000535792884 1024446185 /nfs/dbraw/zinc/44/61/85/1024446185.db2.gz SGYIDSYAPRLIBU-CHWSQXEVSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NCc1cccs1 ZINC000535792884 1024446189 /nfs/dbraw/zinc/44/61/89/1024446189.db2.gz SGYIDSYAPRLIBU-CHWSQXEVSA-N 1 2 332.444 3.511 20 0 EHADLO CC(C)c1ccc2c(c1)CN(C(=O)NCc1ccn3cc[nH+]c3c1)CC2 ZINC000664450794 1024447157 /nfs/dbraw/zinc/44/71/57/1024447157.db2.gz RFHSMSOJYFCTSM-UHFFFAOYSA-N 1 2 348.450 3.726 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434834842 1024449849 /nfs/dbraw/zinc/44/98/49/1024449849.db2.gz VRPNYIIDVVTMJP-QPJJXVBHSA-N 1 2 348.450 3.501 20 0 EHADLO Cc1nc(N[C@H]2CCc3ccc(O)cc32)c(Br)c(C)[nH+]1 ZINC000664450430 1024450235 /nfs/dbraw/zinc/45/02/35/1024450235.db2.gz BNKLPIKWNFIKGD-ZDUSSCGKSA-N 1 2 334.217 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425224993 1024469475 /nfs/dbraw/zinc/46/94/75/1024469475.db2.gz FJTPGRDCPCTDKQ-AEFFLSMTSA-N 1 2 337.467 3.970 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555650 1024473415 /nfs/dbraw/zinc/47/34/15/1024473415.db2.gz PSCXBNRRPLJRFL-ZFWWWQNUSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555650 1024473418 /nfs/dbraw/zinc/47/34/18/1024473418.db2.gz PSCXBNRRPLJRFL-ZFWWWQNUSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097213930 1024482835 /nfs/dbraw/zinc/48/28/35/1024482835.db2.gz JTBMPIZIOPRWNE-UHFFFAOYSA-N 1 2 328.460 3.657 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccccc2N(C)C)c1 ZINC000346171757 1024486247 /nfs/dbraw/zinc/48/62/47/1024486247.db2.gz BECHIUKTINDWNN-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC000434905834 1024496478 /nfs/dbraw/zinc/49/64/78/1024496478.db2.gz TWAMLPCFYDTTHQ-GOSISDBHSA-N 1 2 331.485 3.782 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC000434905834 1024496482 /nfs/dbraw/zinc/49/64/82/1024496482.db2.gz TWAMLPCFYDTTHQ-GOSISDBHSA-N 1 2 331.485 3.782 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000346210327 1024501563 /nfs/dbraw/zinc/50/15/63/1024501563.db2.gz CYPMGDWTPSYEKW-HUUCEWRRSA-N 1 2 343.858 3.717 20 0 EHADLO S=c1[nH]ccn1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000173293398 1033216677 /nfs/dbraw/zinc/21/66/77/1033216677.db2.gz ZREXDBSLHSDWFE-UHFFFAOYSA-N 1 2 330.482 3.992 20 0 EHADLO c1csc(-c2nc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)co2)c1 ZINC000280979872 1024519752 /nfs/dbraw/zinc/51/97/52/1024519752.db2.gz LDUIUUPEFLGNOD-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2nc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)co2)c1 ZINC000280979872 1024519766 /nfs/dbraw/zinc/51/97/66/1024519766.db2.gz LDUIUUPEFLGNOD-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2nc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)co2)c1 ZINC000280979883 1024520130 /nfs/dbraw/zinc/52/01/30/1024520130.db2.gz LDUIUUPEFLGNOD-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2nc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)co2)c1 ZINC000280979883 1024520141 /nfs/dbraw/zinc/52/01/41/1024520141.db2.gz LDUIUUPEFLGNOD-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccc2ccccc2n1)c1c(F)cccc1F ZINC000522417624 1024526121 /nfs/dbraw/zinc/52/61/21/1024526121.db2.gz GBQBTLHLOCPKQF-KRWDZBQOSA-N 1 2 327.378 3.650 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000042512027 1024533677 /nfs/dbraw/zinc/53/36/77/1024533677.db2.gz WMZWGHXTBMWSEV-INIZCTEOSA-N 1 2 343.471 3.545 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000474178949 1024536070 /nfs/dbraw/zinc/53/60/70/1024536070.db2.gz STXVDTIFPXPAKF-QGZVFWFLSA-N 1 2 340.471 3.840 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425259449 1024536131 /nfs/dbraw/zinc/53/61/31/1024536131.db2.gz LXVZYESWIINRFD-KDOFPFPSSA-N 1 2 349.438 3.738 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[C@H](C)C1 ZINC000459181714 1024547887 /nfs/dbraw/zinc/54/78/87/1024547887.db2.gz XWSQAFWVELREQI-HRCADAONSA-N 1 2 332.492 3.576 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)n1cc[nH+]c1 ZINC000636012920 1033219030 /nfs/dbraw/zinc/21/90/30/1033219030.db2.gz PXQDOTNGQGMEBH-OWCLPIDISA-N 1 2 347.484 3.568 20 0 EHADLO O=C(N1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)c1ccccc1 ZINC000783489577 1024562983 /nfs/dbraw/zinc/56/29/83/1024562983.db2.gz DXIIUCXCMNATHA-UHFFFAOYSA-N 1 2 347.409 3.694 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCOc3c(F)cccc3C2)cc1OC ZINC000435040992 1024563359 /nfs/dbraw/zinc/56/33/59/1024563359.db2.gz HJHBCFCAAQYFKQ-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCOc3c(F)cccc3C2)cc1OC ZINC000435040992 1024563363 /nfs/dbraw/zinc/56/33/63/1024563363.db2.gz HJHBCFCAAQYFKQ-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COC(=O)c1cnc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)s1 ZINC000895507685 1024567667 /nfs/dbraw/zinc/56/76/67/1024567667.db2.gz XMLOBDIRTXUBCO-UHFFFAOYSA-N 1 2 334.445 3.579 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000895519918 1024574706 /nfs/dbraw/zinc/57/47/06/1024574706.db2.gz JZKLKLGQZHVPEV-UHFFFAOYSA-N 1 2 330.476 3.733 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000895519918 1024574722 /nfs/dbraw/zinc/57/47/22/1024574722.db2.gz JZKLKLGQZHVPEV-UHFFFAOYSA-N 1 2 330.476 3.733 20 0 EHADLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000277314524 1024577479 /nfs/dbraw/zinc/57/74/79/1024577479.db2.gz CZFCCBJFGKZEIE-INIZCTEOSA-N 1 2 344.459 3.510 20 0 EHADLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000277314524 1024577486 /nfs/dbraw/zinc/57/74/86/1024577486.db2.gz CZFCCBJFGKZEIE-INIZCTEOSA-N 1 2 344.459 3.510 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000151767900 1024579684 /nfs/dbraw/zinc/57/96/84/1024579684.db2.gz HQAYNWMIFCLKDQ-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000346258759 1024581297 /nfs/dbraw/zinc/58/12/97/1024581297.db2.gz VBEDETZGRNLPBR-UHFFFAOYSA-N 1 2 339.370 3.617 20 0 EHADLO C[C@]1([C@@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)COC(=O)N1 ZINC000895532645 1024588669 /nfs/dbraw/zinc/58/86/69/1024588669.db2.gz PCPNZARGCIGAMV-KZULUSFZSA-N 1 2 345.830 3.603 20 0 EHADLO C[C@@]1([C@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)COC(=O)N1 ZINC000895532646 1024589718 /nfs/dbraw/zinc/58/97/18/1024589718.db2.gz PCPNZARGCIGAMV-SGTLLEGYSA-N 1 2 345.830 3.603 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccnc2OC(C)C)c(C)[nH+]1 ZINC000653177532 1024589867 /nfs/dbraw/zinc/58/98/67/1024589867.db2.gz GBISIODJGMADMM-UHFFFAOYSA-N 1 2 328.416 3.511 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000185313029 1024598515 /nfs/dbraw/zinc/59/85/15/1024598515.db2.gz MDVJTCDGZZJTDN-ZFWWWQNUSA-N 1 2 335.835 3.640 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2ccccc2F)CCCC1 ZINC000346286017 1024603105 /nfs/dbraw/zinc/60/31/05/1024603105.db2.gz OZISFUBWVSJXNF-UHFFFAOYSA-N 1 2 341.430 3.651 20 0 EHADLO CC(=O)Nc1ccc(C[NH+]2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000895552733 1024605862 /nfs/dbraw/zinc/60/58/62/1024605862.db2.gz RQNZNNBYFGKLHU-KRWDZBQOSA-N 1 2 337.467 3.524 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000346289109 1024607350 /nfs/dbraw/zinc/60/73/50/1024607350.db2.gz RVRXGOCEBWAEMT-SFHVURJKSA-N 1 2 343.496 3.817 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1Oc1cccnc1)C1CCCC1 ZINC000474231708 1024612323 /nfs/dbraw/zinc/61/23/23/1024612323.db2.gz VNXCLTQEDBQKND-UHFFFAOYSA-N 1 2 340.423 3.792 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1Oc1cccnc1)C1CCCC1 ZINC000474231708 1024612328 /nfs/dbraw/zinc/61/23/28/1024612328.db2.gz VNXCLTQEDBQKND-UHFFFAOYSA-N 1 2 340.423 3.792 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346299526 1024614609 /nfs/dbraw/zinc/61/46/09/1024614609.db2.gz BMJSXVCSMVVUHE-UHFFFAOYSA-N 1 2 344.459 3.636 20 0 EHADLO CCOC(=O)C[N@H+](CC)C/C(C)=C/c1ccccc1OC(F)F ZINC000514637141 1024625981 /nfs/dbraw/zinc/62/59/81/1024625981.db2.gz LSWYPLNFRPWKKB-JLHYYAGUSA-N 1 2 327.371 3.576 20 0 EHADLO CCOC(=O)C[N@@H+](CC)C/C(C)=C/c1ccccc1OC(F)F ZINC000514637141 1024625992 /nfs/dbraw/zinc/62/59/92/1024625992.db2.gz LSWYPLNFRPWKKB-JLHYYAGUSA-N 1 2 327.371 3.576 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000608260541 1024631589 /nfs/dbraw/zinc/63/15/89/1024631589.db2.gz ZZHBDQKOVNKAEY-QGZVFWFLSA-N 1 2 338.386 3.665 20 0 EHADLO O=C(NCCCCCc1ccccc1)NCc1ccn2cc[nH+]c2c1 ZINC000474257341 1024647429 /nfs/dbraw/zinc/64/74/29/1024647429.db2.gz WPPNRXYSHFLHGG-UHFFFAOYSA-N 1 2 336.439 3.547 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425286510 1024658629 /nfs/dbraw/zinc/65/86/29/1024658629.db2.gz URCVLHFJXDEXQA-HPFXQQBRSA-N 1 2 325.456 3.825 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000514675411 1024660785 /nfs/dbraw/zinc/66/07/85/1024660785.db2.gz RHWDBXJARGPZAD-XLIONFOSSA-N 1 2 343.430 3.624 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000514694639 1024676338 /nfs/dbraw/zinc/67/63/38/1024676338.db2.gz MVVNVWJWZRLRNW-APWZRJJASA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000514694639 1024676350 /nfs/dbraw/zinc/67/63/50/1024676350.db2.gz MVVNVWJWZRLRNW-APWZRJJASA-N 1 2 342.439 3.740 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000281148220 1024676624 /nfs/dbraw/zinc/67/66/24/1024676624.db2.gz ZYMUBOOUOLLLMI-OALUTQOASA-N 1 2 345.483 3.551 20 0 EHADLO COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000892098786 1024681380 /nfs/dbraw/zinc/68/13/80/1024681380.db2.gz PMZFRLSPTKWJEP-LPHOPBHVSA-N 1 2 345.439 3.575 20 0 EHADLO COCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000892098786 1024681386 /nfs/dbraw/zinc/68/13/86/1024681386.db2.gz PMZFRLSPTKWJEP-LPHOPBHVSA-N 1 2 345.439 3.575 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000895655181 1024693204 /nfs/dbraw/zinc/69/32/04/1024693204.db2.gz PFDXZTOIHVCGLB-UHFFFAOYSA-N 1 2 335.372 3.905 20 0 EHADLO Cc1ncsc1/C=C/c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346380718 1024695330 /nfs/dbraw/zinc/69/53/30/1024695330.db2.gz FHLAGBDSAXVFGK-AATRIKPKSA-N 1 2 335.392 3.858 20 0 EHADLO CC1(C)CC(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000427656594 1024700534 /nfs/dbraw/zinc/70/05/34/1024700534.db2.gz LPDYOEFDCFYYBT-UHFFFAOYSA-N 1 2 341.455 3.548 20 0 EHADLO Fc1cc2ncc(NCCCCNc3cccc[nH+]3)nc2cc1F ZINC000346391620 1024709496 /nfs/dbraw/zinc/70/94/96/1024709496.db2.gz ATQADGYPVVPAEL-UHFFFAOYSA-N 1 2 329.354 3.607 20 0 EHADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCOCC2)c(C)c1 ZINC000435242798 1024725075 /nfs/dbraw/zinc/72/50/75/1024725075.db2.gz OAENOEUJBUMPEO-UHFFFAOYSA-N 1 2 347.462 3.988 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCSc1ccc(C)c(C)c1 ZINC000346449495 1024743012 /nfs/dbraw/zinc/74/30/12/1024743012.db2.gz HMNOTFBPHPCSCS-SFHVURJKSA-N 1 2 345.512 3.809 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCSc1ccc(C)c(C)c1 ZINC000346449495 1024743025 /nfs/dbraw/zinc/74/30/25/1024743025.db2.gz HMNOTFBPHPCSCS-SFHVURJKSA-N 1 2 345.512 3.809 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000346472960 1024759416 /nfs/dbraw/zinc/75/94/16/1024759416.db2.gz YOFPHMKEOXPHQB-IBGZPJMESA-N 1 2 325.362 3.942 20 0 EHADLO Cc1ccc(COc2ccc(C[N@@H+]3CCCn4nncc4C3)cc2)cc1 ZINC000895756329 1024799478 /nfs/dbraw/zinc/79/94/78/1024799478.db2.gz IGQXTRKGEMHZDJ-UHFFFAOYSA-N 1 2 348.450 3.571 20 0 EHADLO Cc1ccc(COc2ccc(C[N@H+]3CCCn4nncc4C3)cc2)cc1 ZINC000895756329 1024799485 /nfs/dbraw/zinc/79/94/85/1024799485.db2.gz IGQXTRKGEMHZDJ-UHFFFAOYSA-N 1 2 348.450 3.571 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000607654571 1033237007 /nfs/dbraw/zinc/23/70/07/1033237007.db2.gz NDEPUHLQCZBMOL-HZPDHXFCSA-N 1 2 334.529 3.781 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@H](C)Cc2cnn(C)c2)C(F)F)c1 ZINC000514873767 1024832569 /nfs/dbraw/zinc/83/25/69/1024832569.db2.gz WUUCUMUJMOIUIC-CXAGYDPISA-N 1 2 337.414 3.734 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)CCC3CC3)cn2c1 ZINC000346536783 1024840342 /nfs/dbraw/zinc/84/03/42/1024840342.db2.gz RGHZVGCYZBJFLF-AWEZNQCLSA-N 1 2 331.485 3.571 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(CC(C)(C)Cc2ccc(Cl)cc2)n1 ZINC000685350937 1033240743 /nfs/dbraw/zinc/24/07/43/1033240743.db2.gz BSLKDVPESAVPDR-UHFFFAOYSA-N 1 2 344.846 3.859 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548720 1024857750 /nfs/dbraw/zinc/85/77/50/1024857750.db2.gz DURWIHMWBDHHEA-QZTJIDSGSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000346543351 1024879548 /nfs/dbraw/zinc/87/95/48/1024879548.db2.gz KUBCNARBYTXMGO-UHFFFAOYSA-N 1 2 330.338 3.585 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)o1 ZINC000342324728 1024891136 /nfs/dbraw/zinc/89/11/36/1024891136.db2.gz JDEHLVAHXMCEBT-VHSXEESVSA-N 1 2 329.322 3.942 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000425375617 1024906585 /nfs/dbraw/zinc/90/65/85/1024906585.db2.gz CWPPANHXZGPUTN-MRXNPFEDSA-N 1 2 342.468 3.647 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000281316342 1024915984 /nfs/dbraw/zinc/91/59/84/1024915984.db2.gz JUXGIUSNDBQOFE-CYBMUJFWSA-N 1 2 344.484 3.782 20 0 EHADLO Cc1cc(NCc2cc(Cl)c3c(c2)OCCCO3)nc(C2CC2)[nH+]1 ZINC000346636532 1024977856 /nfs/dbraw/zinc/97/78/56/1024977856.db2.gz QNVSGLIQHNTDGJ-UHFFFAOYSA-N 1 2 345.830 3.511 20 0 EHADLO O=C(Nc1cccc(F)c1)NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346637944 1024979297 /nfs/dbraw/zinc/97/92/97/1024979297.db2.gz FSKMYFQMRZTKMQ-UHFFFAOYSA-N 1 2 328.391 3.766 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4ccc(F)cc4F)CCC3)ccc2[nH+]1 ZINC000346638746 1024979407 /nfs/dbraw/zinc/97/94/07/1024979407.db2.gz RWHMYSAYFOYZIN-UHFFFAOYSA-N 1 2 341.361 3.981 20 0 EHADLO CC(C)(Cc1ccccc1)c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000650595977 1024995480 /nfs/dbraw/zinc/99/54/80/1024995480.db2.gz GLEILEIQKCFILR-UHFFFAOYSA-N 1 2 336.439 3.714 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(O)cc(Cl)c1)CC2 ZINC000895940345 1024996578 /nfs/dbraw/zinc/99/65/78/1024996578.db2.gz ZRGMWGKIXJSVAL-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(O)cc(Cl)c1)CC2 ZINC000895940345 1024996581 /nfs/dbraw/zinc/99/65/81/1024996581.db2.gz ZRGMWGKIXJSVAL-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000342344941 1025000305 /nfs/dbraw/zinc/00/03/05/1025000305.db2.gz UESXRSSEIOXXNO-QGZVFWFLSA-N 1 2 343.427 3.822 20 0 EHADLO FC(F)n1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000346669567 1025004731 /nfs/dbraw/zinc/00/47/31/1025004731.db2.gz NLKUIPUKAIJFCH-ZDUSSCGKSA-N 1 2 327.762 3.935 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000157663336 1025009093 /nfs/dbraw/zinc/00/90/93/1025009093.db2.gz JFTRZYQTGDTALQ-CYBMUJFWSA-N 1 2 339.443 3.847 20 0 EHADLO CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548646316 1025010047 /nfs/dbraw/zinc/01/00/47/1025010047.db2.gz GFCUGAWTHDJDRO-CYBMUJFWSA-N 1 2 346.862 3.798 20 0 EHADLO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474468491 1025016867 /nfs/dbraw/zinc/01/68/67/1025016867.db2.gz BDDWJUWZBPYPLL-RDBSUJKOSA-N 1 2 337.460 3.516 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)o1 ZINC000428213707 1025051232 /nfs/dbraw/zinc/05/12/32/1025051232.db2.gz VKYXUKVDVLKBCV-IAGOWNOFSA-N 1 2 348.487 3.879 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)o1 ZINC000428213707 1025051240 /nfs/dbraw/zinc/05/12/40/1025051240.db2.gz VKYXUKVDVLKBCV-IAGOWNOFSA-N 1 2 348.487 3.879 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000281465323 1025073030 /nfs/dbraw/zinc/07/30/30/1025073030.db2.gz UKOAQMLYKMIQSI-UHFFFAOYSA-N 1 2 349.482 3.737 20 0 EHADLO FCCn1ncnc1C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000281508985 1025099699 /nfs/dbraw/zinc/09/96/99/1025099699.db2.gz SJQAQSZOAKRLFI-UHFFFAOYSA-N 1 2 338.430 3.780 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@](=O)C1 ZINC000277440514 1025102342 /nfs/dbraw/zinc/10/23/42/1025102342.db2.gz KBQIPNSULRXVOK-MWTRTKDXSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@](=O)C1 ZINC000277440514 1025102349 /nfs/dbraw/zinc/10/23/49/1025102349.db2.gz KBQIPNSULRXVOK-MWTRTKDXSA-N 1 2 329.465 3.679 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1OCCc1ccccc1 ZINC000346766526 1025103418 /nfs/dbraw/zinc/10/34/18/1025103418.db2.gz MZRBZNKFKFFMPZ-UHFFFAOYSA-N 1 2 335.407 3.533 20 0 EHADLO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccn1C(C)C ZINC000346779510 1025117372 /nfs/dbraw/zinc/11/73/72/1025117372.db2.gz HDYVBRILVITQJP-OAHLLOKOSA-N 1 2 345.512 3.958 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@H]4CCOC5(CCC5)C4)n3)c2)c[nH+]1 ZINC000896086420 1025129985 /nfs/dbraw/zinc/12/99/85/1025129985.db2.gz HIUBZLVOQQMKKI-HNNXBMFYSA-N 1 2 336.395 3.739 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000435793790 1025141281 /nfs/dbraw/zinc/14/12/81/1025141281.db2.gz DNJKSEJPNKJSIA-YSSFQJQWSA-N 1 2 331.419 3.538 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000475051366 1025168102 /nfs/dbraw/zinc/16/81/02/1025168102.db2.gz FXMUTPSMQGQMRR-UHFFFAOYSA-N 1 2 346.418 3.853 20 0 EHADLO Clc1ccc(Cl)c(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000342396366 1025181061 /nfs/dbraw/zinc/18/10/61/1025181061.db2.gz CVUKDDTXUUAART-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC(=O)N1CCCc2cc(NCc3c[nH+]c4ccc(C)cn34)ccc21 ZINC000157870325 1025184539 /nfs/dbraw/zinc/18/45/39/1025184539.db2.gz WCTTXGHWLVTXNL-UHFFFAOYSA-N 1 2 334.423 3.554 20 0 EHADLO COc1cnc([C@H]2CCC[N@@H+]2C/C=C/c2ccc(Cl)cc2)[nH]c1=O ZINC000934269926 1025184559 /nfs/dbraw/zinc/18/45/59/1025184559.db2.gz COUGZHHLNXIFRQ-TXTHVTMNSA-N 1 2 345.830 3.695 20 0 EHADLO COc1cnc([C@H]2CCC[N@H+]2C/C=C/c2ccc(Cl)cc2)[nH]c1=O ZINC000934269926 1025184566 /nfs/dbraw/zinc/18/45/66/1025184566.db2.gz COUGZHHLNXIFRQ-TXTHVTMNSA-N 1 2 345.830 3.695 20 0 EHADLO CCOC(=O)C1(C)CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000474600758 1025197517 /nfs/dbraw/zinc/19/75/17/1025197517.db2.gz PJQALFHCAWCNDP-UHFFFAOYSA-N 1 2 345.487 3.996 20 0 EHADLO Cc1cn2cc(NC(=O)CCc3ccnc4ccccc34)ccc2[nH+]1 ZINC000346828243 1025214323 /nfs/dbraw/zinc/21/43/23/1025214323.db2.gz WKUQZCINYNUBPE-UHFFFAOYSA-N 1 2 330.391 3.762 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2oc(C(C)C)nc2C)CC1 ZINC000428245806 1025231115 /nfs/dbraw/zinc/23/11/15/1025231115.db2.gz MXZJYHDKGJKOGL-UHFFFAOYSA-N 1 2 347.434 3.576 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000442295971 1025243189 /nfs/dbraw/zinc/24/31/89/1025243189.db2.gz RUFZASTVFFKEDP-INIZCTEOSA-N 1 2 335.407 3.802 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000157983772 1025256267 /nfs/dbraw/zinc/25/62/67/1025256267.db2.gz PJIRQZQNJPACRT-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000157983772 1025256271 /nfs/dbraw/zinc/25/62/71/1025256271.db2.gz PJIRQZQNJPACRT-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000522777452 1025260407 /nfs/dbraw/zinc/26/04/07/1025260407.db2.gz CPFOZHOJRJRMCT-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000522777452 1025260419 /nfs/dbraw/zinc/26/04/19/1025260419.db2.gz CPFOZHOJRJRMCT-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCC=C(Br)C3)cc(=O)oc2c1 ZINC000281613268 1025277778 /nfs/dbraw/zinc/27/77/78/1025277778.db2.gz JIWAPIUUYKXJKC-UHFFFAOYSA-N 1 2 334.213 3.586 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCC=C(Br)C3)cc(=O)oc2c1 ZINC000281613268 1025277785 /nfs/dbraw/zinc/27/77/85/1025277785.db2.gz JIWAPIUUYKXJKC-UHFFFAOYSA-N 1 2 334.213 3.586 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896241434 1025282935 /nfs/dbraw/zinc/28/29/35/1025282935.db2.gz YRXLCCLEFJWLBE-JTQLQIEISA-N 1 2 342.226 3.683 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896241434 1025282947 /nfs/dbraw/zinc/28/29/47/1025282947.db2.gz YRXLCCLEFJWLBE-JTQLQIEISA-N 1 2 342.226 3.683 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)[nH]1 ZINC000277478216 1025293827 /nfs/dbraw/zinc/29/38/27/1025293827.db2.gz SIDHUOSOEZTLOT-VHSXEESVSA-N 1 2 342.365 3.910 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)C(C)(C)C ZINC000934293164 1025298385 /nfs/dbraw/zinc/29/83/85/1025298385.db2.gz LKGQWZZRWAEDCH-MRXNPFEDSA-N 1 2 326.400 3.910 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000611576114 1025302542 /nfs/dbraw/zinc/30/25/42/1025302542.db2.gz ZFIMMVUTPBKTOA-GOSISDBHSA-N 1 2 340.423 3.792 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000611576114 1025302554 /nfs/dbraw/zinc/30/25/54/1025302554.db2.gz ZFIMMVUTPBKTOA-GOSISDBHSA-N 1 2 340.423 3.792 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000563254178 1025329242 /nfs/dbraw/zinc/32/92/42/1025329242.db2.gz WXJVZEXGMFINCG-CYBMUJFWSA-N 1 2 342.830 3.631 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342421576 1025347488 /nfs/dbraw/zinc/34/74/88/1025347488.db2.gz HWUBFISSXOZMTH-HNNXBMFYSA-N 1 2 335.407 3.762 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)oc21 ZINC000521365899 1025347760 /nfs/dbraw/zinc/34/77/60/1025347760.db2.gz DZSQNDLAUGKOKT-QWHCGFSZSA-N 1 2 341.411 3.611 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)oc21 ZINC000521365899 1025347775 /nfs/dbraw/zinc/34/77/75/1025347775.db2.gz DZSQNDLAUGKOKT-QWHCGFSZSA-N 1 2 341.411 3.611 20 0 EHADLO CCSc1ccc([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000521413595 1025377448 /nfs/dbraw/zinc/37/74/48/1025377448.db2.gz UCKXZIBVHOHYGO-OAHLLOKOSA-N 1 2 346.500 3.836 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000347002689 1025381547 /nfs/dbraw/zinc/38/15/47/1025381547.db2.gz JHDWJMOAAUANEW-MOPGFXCFSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1cccc(C(F)(F)F)c1 ZINC000346982879 1025383036 /nfs/dbraw/zinc/38/30/36/1025383036.db2.gz OJPNLDZBMUZPDL-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1cccc(C(F)(F)F)c1 ZINC000346982879 1025383054 /nfs/dbraw/zinc/38/30/54/1025383054.db2.gz OJPNLDZBMUZPDL-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO COc1ccncc1C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000346982940 1025383264 /nfs/dbraw/zinc/38/32/64/1025383264.db2.gz NFEYXRWMVAQRSY-OAHLLOKOSA-N 1 2 332.831 3.787 20 0 EHADLO COc1ccncc1C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000346982940 1025383278 /nfs/dbraw/zinc/38/32/78/1025383278.db2.gz NFEYXRWMVAQRSY-OAHLLOKOSA-N 1 2 332.831 3.787 20 0 EHADLO Cc1c([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)nnn1-c1ccccc1 ZINC000346982774 1025383594 /nfs/dbraw/zinc/38/35/94/1025383594.db2.gz ZPPFFWYMIPWPBI-OAHLLOKOSA-N 1 2 348.454 3.744 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4c(F)cc(F)cc4[C@H]3C)ccn12 ZINC000521458132 1025394133 /nfs/dbraw/zinc/39/41/33/1025394133.db2.gz CFINVTXTKSNIOK-GFCCVEGCSA-N 1 2 341.361 3.680 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000607746357 1033280441 /nfs/dbraw/zinc/28/04/41/1033280441.db2.gz HZOPUKQWAHPNFP-YWZLYKJASA-N 1 2 345.414 3.675 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000607746357 1033280450 /nfs/dbraw/zinc/28/04/50/1033280450.db2.gz HZOPUKQWAHPNFP-YWZLYKJASA-N 1 2 345.414 3.675 20 0 EHADLO CCCc1nc(C)c(CN2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000428255958 1025405937 /nfs/dbraw/zinc/40/59/37/1025405937.db2.gz ZVFZTDXVVLWYBG-XFFZJAGNSA-N 1 2 339.483 3.767 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)o1 ZINC000428255958 1025405948 /nfs/dbraw/zinc/40/59/48/1025405948.db2.gz ZVFZTDXVVLWYBG-XFFZJAGNSA-N 1 2 339.483 3.767 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000521483774 1025428805 /nfs/dbraw/zinc/42/88/05/1025428805.db2.gz DGMJQAOAPVWYQK-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000521483774 1025428807 /nfs/dbraw/zinc/42/88/07/1025428807.db2.gz DGMJQAOAPVWYQK-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO C[C@H](c1cccc(NC(=O)CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000521516143 1025436724 /nfs/dbraw/zinc/43/67/24/1025436724.db2.gz BMTIEQUZWDMWMS-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001141892765 1025437430 /nfs/dbraw/zinc/43/74/30/1025437430.db2.gz XXVNNVUOSIUUTQ-RNCFNFMXSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001141892765 1025437436 /nfs/dbraw/zinc/43/74/36/1025437436.db2.gz XXVNNVUOSIUUTQ-RNCFNFMXSA-N 1 2 348.643 3.852 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ncccc1Oc1ccccc1 ZINC000442712512 1025437744 /nfs/dbraw/zinc/43/77/44/1025437744.db2.gz GSWMJFABSSRUTA-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO C[C@@H](CC(=O)N(C)[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000515657365 1025440002 /nfs/dbraw/zinc/44/00/02/1025440002.db2.gz USQAASMSVMQQTD-SWLSCSKDSA-N 1 2 325.334 3.596 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)[C@@H]1C ZINC000522470868 1025450649 /nfs/dbraw/zinc/45/06/49/1025450649.db2.gz RNFLDUSSFVBERY-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)[C@@H]1C ZINC000522470868 1025450651 /nfs/dbraw/zinc/45/06/51/1025450651.db2.gz RNFLDUSSFVBERY-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425507400 1025540843 /nfs/dbraw/zinc/54/08/43/1025540843.db2.gz MMVNXFXOUIJEIC-UHFFFAOYSA-N 1 2 345.516 3.574 20 0 EHADLO CC1(C)C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000530267759 1025552848 /nfs/dbraw/zinc/55/28/48/1025552848.db2.gz NVFVHLAOJHZTNJ-JYJNAYRXSA-N 1 2 345.487 3.515 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000607718422 1033291798 /nfs/dbraw/zinc/29/17/98/1033291798.db2.gz CWROMSMTUDJNKA-INIZCTEOSA-N 1 2 340.471 3.688 20 0 EHADLO F[C@@]1(c2ccccc2)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000582193323 1025573239 /nfs/dbraw/zinc/57/32/39/1025573239.db2.gz PWCNRGMLNYNYPR-IBGZPJMESA-N 1 2 326.419 3.542 20 0 EHADLO F[C@@]1(c2ccccc2)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000582193323 1025573251 /nfs/dbraw/zinc/57/32/51/1025573251.db2.gz PWCNRGMLNYNYPR-IBGZPJMESA-N 1 2 326.419 3.542 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCCc3sccc31)C2 ZINC000530293437 1025604167 /nfs/dbraw/zinc/60/41/67/1025604167.db2.gz SPMBUZYAYWJYKT-JSGCOSHPSA-N 1 2 343.496 3.893 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCCc3sccc31)CC2 ZINC000530293437 1025604179 /nfs/dbraw/zinc/60/41/79/1025604179.db2.gz SPMBUZYAYWJYKT-JSGCOSHPSA-N 1 2 343.496 3.893 20 0 EHADLO CCCc1nc(C)c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530296284 1025606070 /nfs/dbraw/zinc/60/60/70/1025606070.db2.gz YDDOLNCTPHAZCS-GFCCVEGCSA-N 1 2 346.500 3.994 20 0 EHADLO CCCc1nc(C)c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530296284 1025606076 /nfs/dbraw/zinc/60/60/76/1025606076.db2.gz YDDOLNCTPHAZCS-GFCCVEGCSA-N 1 2 346.500 3.994 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(Br)s2)[nH]1 ZINC000277520109 1025631007 /nfs/dbraw/zinc/63/10/07/1025631007.db2.gz XKFVCVDJQLKYOA-BDAKNGLRSA-N 1 2 343.294 3.993 20 0 EHADLO Fc1cccc(Oc2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)cc2)c1 ZINC000443062034 1025678265 /nfs/dbraw/zinc/67/82/65/1025678265.db2.gz AAADDXZGZNKHQC-FQEVSTJZSA-N 1 2 343.398 3.609 20 0 EHADLO Fc1cccc(Oc2ccc(C[N@H+]3CCOC[C@@]34CCOC4)cc2)c1 ZINC000443062034 1025678274 /nfs/dbraw/zinc/67/82/74/1025678274.db2.gz AAADDXZGZNKHQC-FQEVSTJZSA-N 1 2 343.398 3.609 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2cc(F)ccc2Cl)C2CC2)c1 ZINC000451213447 1025682625 /nfs/dbraw/zinc/68/26/25/1025682625.db2.gz ZRFGWQYDSKISFQ-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2cc(F)ccc2Cl)C2CC2)c1 ZINC000451213447 1025682632 /nfs/dbraw/zinc/68/26/32/1025682632.db2.gz ZRFGWQYDSKISFQ-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO Cc1cn2cc(Nc3nn4cc(C5CCCC5)nc4s3)ccc2[nH+]1 ZINC000436435298 1025714656 /nfs/dbraw/zinc/71/46/56/1025714656.db2.gz GLYOZJPMBPOFTJ-UHFFFAOYSA-N 1 2 338.440 3.570 20 0 EHADLO Cc1cn2cc(N=c3[nH]n4cc(C5CCCC5)nc4s3)ccc2[nH+]1 ZINC000436435298 1025714670 /nfs/dbraw/zinc/71/46/70/1025714670.db2.gz GLYOZJPMBPOFTJ-UHFFFAOYSA-N 1 2 338.440 3.570 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1c1ccccc1 ZINC000451254305 1025728213 /nfs/dbraw/zinc/72/82/13/1025728213.db2.gz BQNXTJBSDWAWLU-DNVCBOLYSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1c1ccccc1 ZINC000451254305 1025728232 /nfs/dbraw/zinc/72/82/32/1025728232.db2.gz BQNXTJBSDWAWLU-DNVCBOLYSA-N 1 2 342.439 3.596 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249404 1025743488 /nfs/dbraw/zinc/74/34/88/1025743488.db2.gz NJPIENZLFOZBNZ-CXAGYDPISA-N 1 2 328.485 3.720 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249404 1025743504 /nfs/dbraw/zinc/74/35/04/1025743504.db2.gz NJPIENZLFOZBNZ-CXAGYDPISA-N 1 2 328.485 3.720 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521879320 1025754199 /nfs/dbraw/zinc/75/41/99/1025754199.db2.gz ZJSKUHQKDRGYNH-NEWSRXKRSA-N 1 2 346.540 3.719 20 0 EHADLO CC[C@@H](C)[C@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563632 1025756353 /nfs/dbraw/zinc/75/63/53/1025756353.db2.gz DMRNKISRSUSYOJ-KDOFPFPSSA-N 1 2 341.455 3.886 20 0 EHADLO COC(C)(C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425564340 1025759501 /nfs/dbraw/zinc/75/95/01/1025759501.db2.gz FJCPXZABVRVLRQ-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO CC(C)(C(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000530402722 1025768024 /nfs/dbraw/zinc/76/80/24/1025768024.db2.gz PTQUMLZKSAMYRV-UHFFFAOYSA-N 1 2 337.826 3.550 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCN(c3ccccc3)CC2)c(C)[nH+]1 ZINC000436491960 1025776085 /nfs/dbraw/zinc/77/60/85/1025776085.db2.gz IZNKYDGATPNQIG-UHFFFAOYSA-N 1 2 338.455 3.751 20 0 EHADLO Cc1cccn2cc(Cc3nc(C[C@H](C)c4ccccc4)no3)[nH+]c12 ZINC000546470181 1025779178 /nfs/dbraw/zinc/77/91/78/1025779178.db2.gz VGDAHERGWBJOGH-HNNXBMFYSA-N 1 2 332.407 3.963 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCS1 ZINC000425569069 1025780392 /nfs/dbraw/zinc/78/03/92/1025780392.db2.gz KEFYONPWJKJUTB-MRXNPFEDSA-N 1 2 327.453 3.721 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)N(C)c2ccccc2)c(C)[nH+]1 ZINC000436488348 1025793822 /nfs/dbraw/zinc/79/38/22/1025793822.db2.gz DSZMGPADLIPFAM-HNNXBMFYSA-N 1 2 326.444 3.653 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc(C(F)(F)F)c(Cl)n1)C2 ZINC000896658441 1025821295 /nfs/dbraw/zinc/82/12/95/1025821295.db2.gz CPWUXHNLTDRIEQ-UHFFFAOYSA-N 1 2 330.741 3.533 20 0 EHADLO OC[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1cccc(Cl)c1Cl ZINC000664565760 1025826521 /nfs/dbraw/zinc/82/65/21/1025826521.db2.gz TZTXFJFDFKVFCP-LBPRGKRZSA-N 1 2 339.226 3.503 20 0 EHADLO OC[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1cccc(Cl)c1Cl ZINC000664565760 1025826540 /nfs/dbraw/zinc/82/65/40/1025826540.db2.gz TZTXFJFDFKVFCP-LBPRGKRZSA-N 1 2 339.226 3.503 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451360789 1025867240 /nfs/dbraw/zinc/86/72/40/1025867240.db2.gz YNSJHTDCKWTRPX-RFAUZJTJSA-N 1 2 339.798 3.810 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(Br)s2)n1C ZINC000443310503 1025899042 /nfs/dbraw/zinc/89/90/42/1025899042.db2.gz JOJREXJTWFJBNX-SECBINFHSA-N 1 2 343.294 3.613 20 0 EHADLO COc1cc(C[NH2+]Cc2cccnc2OC(C)C)c(Cl)cc1O ZINC000638271971 1025899338 /nfs/dbraw/zinc/89/93/38/1025899338.db2.gz WJJIILSLKVREIB-UHFFFAOYSA-N 1 2 336.819 3.526 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000451408299 1025912856 /nfs/dbraw/zinc/91/28/56/1025912856.db2.gz XLTPCAJRJNKRIB-MOPGFXCFSA-N 1 2 337.467 3.762 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(CF)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000451391163 1025916158 /nfs/dbraw/zinc/91/61/58/1025916158.db2.gz FSHWOWAAAHJJAS-HNNXBMFYSA-N 1 2 345.245 3.780 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)[nH+]c1C ZINC000896910793 1025942038 /nfs/dbraw/zinc/94/20/38/1025942038.db2.gz YBQUMVVQDXOXHQ-VIFPVBQESA-N 1 2 325.334 3.622 20 0 EHADLO CC(C)(C)OCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000530505325 1025965121 /nfs/dbraw/zinc/96/51/21/1025965121.db2.gz NITORPURMKGCQV-QGZVFWFLSA-N 1 2 327.415 3.933 20 0 EHADLO CC(C)(C)OCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000530505325 1025965137 /nfs/dbraw/zinc/96/51/37/1025965137.db2.gz NITORPURMKGCQV-QGZVFWFLSA-N 1 2 327.415 3.933 20 0 EHADLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000352650403 1025977906 /nfs/dbraw/zinc/97/79/06/1025977906.db2.gz WPISNYVBLJNQJE-UHFFFAOYSA-N 1 2 336.785 3.659 20 0 EHADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000352650403 1025977918 /nfs/dbraw/zinc/97/79/18/1025977918.db2.gz WPISNYVBLJNQJE-UHFFFAOYSA-N 1 2 336.785 3.659 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCOc2c(F)cccc21 ZINC000896773581 1025996962 /nfs/dbraw/zinc/99/69/62/1025996962.db2.gz UJTHYJIHCIXDFW-CQSZACIVSA-N 1 2 341.390 3.656 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000436666765 1026006642 /nfs/dbraw/zinc/00/66/42/1026006642.db2.gz RROWGJZYSKXGFC-MRXNPFEDSA-N 1 2 340.423 3.513 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)ccn12 ZINC000583509369 1026012331 /nfs/dbraw/zinc/01/23/31/1026012331.db2.gz LSFVKDDRICYGMP-MAUKXSAKSA-N 1 2 337.398 3.848 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896919605 1026025245 /nfs/dbraw/zinc/02/52/45/1026025245.db2.gz UPUVGBACMQSROD-SNVBAGLBSA-N 1 2 339.361 3.855 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](SCc2ccccc2)C(C)C)[nH+]c1C ZINC000896922080 1026044818 /nfs/dbraw/zinc/04/48/18/1026044818.db2.gz XTHPFMRVAZZUTI-QGZVFWFLSA-N 1 2 331.485 3.601 20 0 EHADLO c1c2ccncc2sc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000657406643 1026044976 /nfs/dbraw/zinc/04/49/76/1026044976.db2.gz JSDVDXVNBGTABO-UHFFFAOYSA-N 1 2 339.464 3.741 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000329611562 1026073722 /nfs/dbraw/zinc/07/37/22/1026073722.db2.gz RKYOHBAUAXUYAJ-IUODEOHRSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000329611562 1026073736 /nfs/dbraw/zinc/07/37/36/1026073736.db2.gz RKYOHBAUAXUYAJ-IUODEOHRSA-N 1 2 333.819 3.624 20 0 EHADLO CC[C@@H]1C[C@H](Nc2cccc(C[N@H+](C)Cc3cscn3)c2)CO1 ZINC000657409502 1026079151 /nfs/dbraw/zinc/07/91/51/1026079151.db2.gz ZBDSBFGWYAAELJ-FUHWJXTLSA-N 1 2 331.485 3.755 20 0 EHADLO CC[C@@H]1C[C@H](Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)CO1 ZINC000657409502 1026079163 /nfs/dbraw/zinc/07/91/63/1026079163.db2.gz ZBDSBFGWYAAELJ-FUHWJXTLSA-N 1 2 331.485 3.755 20 0 EHADLO CO[C@@H]1CCCC[C@@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820903 1026080732 /nfs/dbraw/zinc/08/07/32/1026080732.db2.gz MCVXNEADVAYEJJ-DLBZAZTESA-N 1 2 338.411 3.519 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)cc(F)c3)CC2)cc1 ZINC001143590113 1026096387 /nfs/dbraw/zinc/09/63/87/1026096387.db2.gz OLLFUACKMMDSGH-UHFFFAOYSA-N 1 2 326.415 3.659 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)[nH+]c1)C1CCC(F)(F)CC1 ZINC000474056040 1026097960 /nfs/dbraw/zinc/09/79/60/1026097960.db2.gz KYVNKPJZBLITEI-CYBMUJFWSA-N 1 2 325.403 3.544 20 0 EHADLO Cc1noc(C)c1[C@@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825333 1026100844 /nfs/dbraw/zinc/10/08/44/1026100844.db2.gz IFUMKVQFWANBDZ-GFCCVEGCSA-N 1 2 349.394 3.603 20 0 EHADLO CC[C@H](C)[C@H](OC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822048 1026106458 /nfs/dbraw/zinc/10/64/58/1026106458.db2.gz ZABFPQATJLEYTK-GUYCJALGSA-N 1 2 326.400 3.580 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3c(cnc3C(F)(F)F)C2)c(F)c1 ZINC000896932503 1026111270 /nfs/dbraw/zinc/11/12/70/1026111270.db2.gz WQSPNZMULIYXHS-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3c(cnc3C(F)(F)F)C2)c(F)c1 ZINC000896932503 1026111275 /nfs/dbraw/zinc/11/12/75/1026111275.db2.gz WQSPNZMULIYXHS-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000152463439 1026174284 /nfs/dbraw/zinc/17/42/84/1026174284.db2.gz FZGKJERLESJPLF-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C)onc1-c1ccccc1 ZINC001141988404 1026216869 /nfs/dbraw/zinc/21/68/69/1026216869.db2.gz UNZMCSHPPTZEIL-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c(C)onc1-c1ccccc1 ZINC001141988404 1026216879 /nfs/dbraw/zinc/21/68/79/1026216879.db2.gz UNZMCSHPPTZEIL-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CCc1nnc(C[NH2+][C@H](CCOC)c2cccc(C(F)(F)F)c2)o1 ZINC000451689829 1026231673 /nfs/dbraw/zinc/23/16/73/1026231673.db2.gz KDFKYJQECWXLLE-CYBMUJFWSA-N 1 2 343.349 3.518 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000475146426 1026239213 /nfs/dbraw/zinc/23/92/13/1026239213.db2.gz OFXBZVKOERVNIV-KXBFYZLASA-N 1 2 329.415 3.521 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CCCc2ccccc2CC1 ZINC000451717147 1026249990 /nfs/dbraw/zinc/24/99/90/1026249990.db2.gz NKCITMFYMJLWIN-ZDUSSCGKSA-N 1 2 346.272 3.791 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CCCc2ccccc2CC1 ZINC000451717147 1026250005 /nfs/dbraw/zinc/25/00/05/1026250005.db2.gz NKCITMFYMJLWIN-ZDUSSCGKSA-N 1 2 346.272 3.791 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)CCCOc2cccc3ccccc32)n1 ZINC000563355571 1026260177 /nfs/dbraw/zinc/26/01/77/1026260177.db2.gz DLMLITVUKLHNNN-AWEZNQCLSA-N 1 2 325.412 3.993 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)CCCOc2cccc3ccccc32)n1 ZINC000563355571 1026260182 /nfs/dbraw/zinc/26/01/82/1026260182.db2.gz DLMLITVUKLHNNN-AWEZNQCLSA-N 1 2 325.412 3.993 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C[C@@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091538 1026309525 /nfs/dbraw/zinc/30/95/25/1026309525.db2.gz UFRRDEAIWVFORA-OXQOHEQNSA-N 1 2 349.434 3.829 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C[C@@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091538 1026309535 /nfs/dbraw/zinc/30/95/35/1026309535.db2.gz UFRRDEAIWVFORA-OXQOHEQNSA-N 1 2 349.434 3.829 20 0 EHADLO Oc1cc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc(C(F)(F)F)c1 ZINC000352822755 1026314449 /nfs/dbraw/zinc/31/44/49/1026314449.db2.gz LNMWIEDNYNNSBK-UHFFFAOYSA-N 1 2 347.340 3.887 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848351 1026322735 /nfs/dbraw/zinc/32/27/35/1026322735.db2.gz ZHFPMFINGPXLNP-VQIMIIECSA-N 1 2 338.451 3.554 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848351 1026322747 /nfs/dbraw/zinc/32/27/47/1026322747.db2.gz ZHFPMFINGPXLNP-VQIMIIECSA-N 1 2 338.451 3.554 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548738334 1026340704 /nfs/dbraw/zinc/34/07/04/1026340704.db2.gz HSFGGNJFRZNDEY-SWLSCSKDSA-N 1 2 327.428 3.561 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2c(F)cccc2Br)cn1 ZINC000451893905 1026362764 /nfs/dbraw/zinc/36/27/64/1026362764.db2.gz YPVHHACERJWIPG-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO C[C@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1ccnn1C ZINC000192798861 1026367972 /nfs/dbraw/zinc/36/79/72/1026367972.db2.gz FLFIYIKDODEEIA-YWZLYKJASA-N 1 2 345.450 3.747 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C)n1 ZINC000342587608 1026373003 /nfs/dbraw/zinc/37/30/03/1026373003.db2.gz KQIIAOPYFNSJJN-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C)n1 ZINC000342587608 1026373016 /nfs/dbraw/zinc/37/30/16/1026373016.db2.gz KQIIAOPYFNSJJN-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)nc1 ZINC000451965323 1026401695 /nfs/dbraw/zinc/40/16/95/1026401695.db2.gz COIPLWBQABTQCZ-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)nc1 ZINC000451965323 1026401700 /nfs/dbraw/zinc/40/17/00/1026401700.db2.gz COIPLWBQABTQCZ-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451956068 1026415256 /nfs/dbraw/zinc/41/52/56/1026415256.db2.gz CGEPEILDVAAWEA-YVEFUNNKSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451956068 1026415264 /nfs/dbraw/zinc/41/52/64/1026415264.db2.gz CGEPEILDVAAWEA-YVEFUNNKSA-N 1 2 340.439 3.511 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](c4ccccc4)[C@H]3C)[nH+]c12 ZINC000530959138 1026435489 /nfs/dbraw/zinc/43/54/89/1026435489.db2.gz VNWGCMUWWMWHDG-APWZRJJASA-N 1 2 333.435 3.590 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1 ZINC000452050353 1026457175 /nfs/dbraw/zinc/45/71/75/1026457175.db2.gz VYXIZVKDPFRGAB-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)cc1 ZINC000452050353 1026457193 /nfs/dbraw/zinc/45/71/93/1026457193.db2.gz VYXIZVKDPFRGAB-UHFFFAOYSA-N 1 2 331.481 3.729 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311981 1026467807 /nfs/dbraw/zinc/46/78/07/1026467807.db2.gz AIQHTPWJWJURAZ-ROUUACIJSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311981 1026467812 /nfs/dbraw/zinc/46/78/12/1026467812.db2.gz AIQHTPWJWJURAZ-ROUUACIJSA-N 1 2 341.854 3.794 20 0 EHADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639559540 1026504783 /nfs/dbraw/zinc/50/47/83/1026504783.db2.gz XHZPBZNZSUDEAO-OKILXGFUSA-N 1 2 340.389 3.984 20 0 EHADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639559540 1026504788 /nfs/dbraw/zinc/50/47/88/1026504788.db2.gz XHZPBZNZSUDEAO-OKILXGFUSA-N 1 2 340.389 3.984 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000277682486 1026539381 /nfs/dbraw/zinc/53/93/81/1026539381.db2.gz KPTKJARBFYCYHY-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000277682486 1026539384 /nfs/dbraw/zinc/53/93/84/1026539384.db2.gz KPTKJARBFYCYHY-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](c3ccccc3)C1)C2 ZINC000475393634 1026558184 /nfs/dbraw/zinc/55/81/84/1026558184.db2.gz QHBBVQXOZFVBKO-DLBZAZTESA-N 1 2 337.467 3.654 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](c3ccccc3)C1)CC2 ZINC000475393634 1026558192 /nfs/dbraw/zinc/55/81/92/1026558192.db2.gz QHBBVQXOZFVBKO-DLBZAZTESA-N 1 2 337.467 3.654 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](c3ccccc3)C1)C2 ZINC000475393635 1026558448 /nfs/dbraw/zinc/55/84/48/1026558448.db2.gz QHBBVQXOZFVBKO-IAGOWNOFSA-N 1 2 337.467 3.654 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](c3ccccc3)C1)CC2 ZINC000475393635 1026558453 /nfs/dbraw/zinc/55/84/53/1026558453.db2.gz QHBBVQXOZFVBKO-IAGOWNOFSA-N 1 2 337.467 3.654 20 0 EHADLO CCOc1c(C[NH2+]Cc2noc3ccccc23)c(C)nn1CC(C)C ZINC000582556356 1026585119 /nfs/dbraw/zinc/58/51/19/1026585119.db2.gz LFDFSOPSFVHRFC-UHFFFAOYSA-N 1 2 342.443 3.677 20 0 EHADLO Cc1[nH]c(CNc2ccnn2Cc2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000582557892 1026585194 /nfs/dbraw/zinc/58/51/94/1026585194.db2.gz WXRMQQRSJPWNGU-UHFFFAOYSA-N 1 2 349.360 3.902 20 0 EHADLO Cc1c(Br)cncc1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000657466092 1026586506 /nfs/dbraw/zinc/58/65/06/1026586506.db2.gz QAGBUGAOZBFYTI-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000073171754 1026628612 /nfs/dbraw/zinc/62/86/12/1026628612.db2.gz KRNJQAXOPLMKHG-RBUKOAKNSA-N 1 2 337.467 3.786 20 0 EHADLO Cc1ccc2cc(C[NH2+][C@H](C)c3ncc(Br)cn3)[nH]c2c1 ZINC000657472948 1026628719 /nfs/dbraw/zinc/62/87/19/1026628719.db2.gz CRKHCGNEMIVJTD-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO COCc1cnc(C[N@H+](C)CCCOc2ccc(Cl)cc2)s1 ZINC000342662766 1026638867 /nfs/dbraw/zinc/63/88/67/1026638867.db2.gz JBXRAUICDMAMGM-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO COCc1cnc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)s1 ZINC000342662766 1026638877 /nfs/dbraw/zinc/63/88/77/1026638877.db2.gz JBXRAUICDMAMGM-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531200847 1026682652 /nfs/dbraw/zinc/68/26/52/1026682652.db2.gz IOSLMHPWPIPIQK-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531200847 1026682659 /nfs/dbraw/zinc/68/26/59/1026682659.db2.gz IOSLMHPWPIPIQK-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO O[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000301168318 1026709372 /nfs/dbraw/zinc/70/93/72/1026709372.db2.gz ISFLHFZALIZQEJ-IBGZPJMESA-N 1 2 348.450 3.766 20 0 EHADLO O[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000301168318 1026709382 /nfs/dbraw/zinc/70/93/82/1026709382.db2.gz ISFLHFZALIZQEJ-IBGZPJMESA-N 1 2 348.450 3.766 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000684932489 1026712179 /nfs/dbraw/zinc/71/21/79/1026712179.db2.gz VJTJVGLCNOHGHU-GOEBONIOSA-N 1 2 344.484 3.713 20 0 EHADLO CSc1nc2ncnc(NCCCCNc3cccc[nH+]3)c2s1 ZINC000301248737 1026737756 /nfs/dbraw/zinc/73/77/56/1026737756.db2.gz LXTPBOCJEPVQMJ-UHFFFAOYSA-N 1 2 346.485 3.507 20 0 EHADLO OCc1cc2ccccc2nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301340399 1026768559 /nfs/dbraw/zinc/76/85/59/1026768559.db2.gz PXJPQNMCDLTIER-UHFFFAOYSA-N 1 2 330.391 3.525 20 0 EHADLO CCc1cc(N2CCC[C@@H]2c2cc(OC)ccc2OC)nc(C)[nH+]1 ZINC000301378316 1026782292 /nfs/dbraw/zinc/78/22/92/1026782292.db2.gz YRIDSACQCIFLMQ-QGZVFWFLSA-N 1 2 327.428 3.706 20 0 EHADLO Cc1nc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)sc1C ZINC000301467006 1026815755 /nfs/dbraw/zinc/81/57/55/1026815755.db2.gz XVMMFDQQHYMPMG-UHFFFAOYSA-N 1 2 336.424 3.501 20 0 EHADLO CCc1cc2c(ncnc2N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000301653446 1026888673 /nfs/dbraw/zinc/88/86/73/1026888673.db2.gz UIUFXLCWLUBPPE-DOMZBBRYSA-N 1 2 327.457 3.538 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCc1cccc(C(=O)N(C)C)c1 ZINC000301696165 1026905587 /nfs/dbraw/zinc/90/55/87/1026905587.db2.gz BETBPKSVTPMBPC-UHFFFAOYSA-N 1 2 333.435 3.900 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531433043 1026907124 /nfs/dbraw/zinc/90/71/24/1026907124.db2.gz XWXLXSFWLMFGNX-MRXNPFEDSA-N 1 2 329.444 3.582 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccccc1CS(C)(=O)=O ZINC000301732989 1026918415 /nfs/dbraw/zinc/91/84/15/1026918415.db2.gz TYYXKPFGXIPWGH-UHFFFAOYSA-N 1 2 340.448 3.700 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(-n2cccn2)c1 ZINC000301831107 1026956329 /nfs/dbraw/zinc/95/63/29/1026956329.db2.gz QHFJADDJQUSGAN-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301831107 1026956334 /nfs/dbraw/zinc/95/63/34/1026956334.db2.gz QHFJADDJQUSGAN-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO c1ccc(SC[C@@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)cc1 ZINC000301837010 1026958747 /nfs/dbraw/zinc/95/87/47/1026958747.db2.gz VPAUDZJFFVRTBI-MRXNPFEDSA-N 1 2 340.496 3.917 20 0 EHADLO c1ccc(SC[C@@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)cc1 ZINC000301837010 1026958752 /nfs/dbraw/zinc/95/87/52/1026958752.db2.gz VPAUDZJFFVRTBI-MRXNPFEDSA-N 1 2 340.496 3.917 20 0 EHADLO CN(C)c1cccc([C@@H]2CCCN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000301839497 1026958889 /nfs/dbraw/zinc/95/88/89/1026958889.db2.gz XNNGSMGYIFGHDV-SFHVURJKSA-N 1 2 337.471 3.706 20 0 EHADLO CN(C)c1cccc([C@@H]2CCCN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000301839497 1026958892 /nfs/dbraw/zinc/95/88/92/1026958892.db2.gz XNNGSMGYIFGHDV-SFHVURJKSA-N 1 2 337.471 3.706 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCOC1CCCCC1 ZINC000301840984 1026960666 /nfs/dbraw/zinc/96/06/66/1026960666.db2.gz PFGYWBNVEHDWDB-UHFFFAOYSA-N 1 2 331.464 3.733 20 0 EHADLO CCCC(=O)Nc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301849676 1026964154 /nfs/dbraw/zinc/96/41/54/1026964154.db2.gz AMDYWZZCKGBNLN-UHFFFAOYSA-N 1 2 335.411 3.563 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@@H](CCCO)c3ccccc3)n2)c1 ZINC000305761025 1026964441 /nfs/dbraw/zinc/96/44/41/1026964441.db2.gz DTFJGUHEYPNFKI-SFHVURJKSA-N 1 2 337.423 3.648 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)c(C)o1 ZINC000305774850 1026966734 /nfs/dbraw/zinc/96/67/34/1026966734.db2.gz MWNATURXLDXCOT-KRWDZBQOSA-N 1 2 341.411 3.550 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301899118 1026985229 /nfs/dbraw/zinc/98/52/29/1026985229.db2.gz SVPUTTGLMSWHIR-UKRRQHHQSA-N 1 2 345.491 3.835 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)C[C@H]2CC2(C)C)c1)[NH+]1CCOCC1 ZINC000666005894 1027016845 /nfs/dbraw/zinc/01/68/45/1027016845.db2.gz ZMBBDVLZUJDKCV-DOTOQJQBSA-N 1 2 345.487 3.590 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2ccc(Br)cc2)n1C ZINC000342779399 1027021580 /nfs/dbraw/zinc/02/15/80/1027021580.db2.gz LKBFPLUJQFVHKS-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1nc2c(s1)[C@H](Nc1[nH+]cnc3c1cnn3C(C)(C)C)CCC2 ZINC000302017930 1027024487 /nfs/dbraw/zinc/02/44/87/1027024487.db2.gz GLTMCRRNFYTEMX-CYBMUJFWSA-N 1 2 342.472 3.836 20 0 EHADLO C[C@@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000531581213 1027068349 /nfs/dbraw/zinc/06/83/49/1027068349.db2.gz YPSGJIHJGCJVJJ-MRTGAJDVSA-N 1 2 341.430 3.626 20 0 EHADLO COc1ncc(Br)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085313 1027082466 /nfs/dbraw/zinc/08/24/66/1027082466.db2.gz BXCCFJGOYHHMOD-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1F ZINC000123280275 1027083175 /nfs/dbraw/zinc/08/31/75/1027083175.db2.gz FLYBPFXNPWGFDM-CZUORRHYSA-N 1 2 346.377 3.533 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302213854 1027091608 /nfs/dbraw/zinc/09/16/08/1027091608.db2.gz GDRQYQQUEMFSMB-CYBMUJFWSA-N 1 2 330.382 3.571 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302213854 1027091623 /nfs/dbraw/zinc/09/16/23/1027091623.db2.gz GDRQYQQUEMFSMB-CYBMUJFWSA-N 1 2 330.382 3.571 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000342791493 1027092977 /nfs/dbraw/zinc/09/29/77/1027092977.db2.gz RFUAHFJNGDGTBK-AUUYWEPGSA-N 1 2 344.434 3.794 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000342791493 1027092987 /nfs/dbraw/zinc/09/29/87/1027092987.db2.gz RFUAHFJNGDGTBK-AUUYWEPGSA-N 1 2 344.434 3.794 20 0 EHADLO Cc1nc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272834692 1027137969 /nfs/dbraw/zinc/13/79/69/1027137969.db2.gz HLEXXBDHJMRUHM-RKNYENMMSA-N 1 2 343.496 3.599 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000125975930 1027146958 /nfs/dbraw/zinc/14/69/58/1027146958.db2.gz KKLGLLVKFMTODU-BFUOFWGJSA-N 1 2 336.439 3.705 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C[C@H]1F ZINC000640173232 1027153866 /nfs/dbraw/zinc/15/38/66/1027153866.db2.gz BMXVTPAZWLCSCX-BLLLJJGKSA-N 1 2 330.407 3.513 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126112857 1027163172 /nfs/dbraw/zinc/16/31/72/1027163172.db2.gz GOEKRQMWOPDPJH-MJGOQNOKSA-N 1 2 325.456 3.624 20 0 EHADLO COc1ccccc1N1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000302486745 1027163321 /nfs/dbraw/zinc/16/33/21/1027163321.db2.gz XUZNWVMMLMKYRN-UHFFFAOYSA-N 1 2 349.434 3.579 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000075553317 1027167662 /nfs/dbraw/zinc/16/76/62/1027167662.db2.gz OQAGIRDNIADEGC-PZAIXRNCSA-N 1 2 325.412 3.546 20 0 EHADLO O=C(NCCC1=CCCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000075559032 1027171666 /nfs/dbraw/zinc/17/16/66/1027171666.db2.gz ZCOFRMALSSIXLA-UHFFFAOYSA-N 1 2 338.455 3.621 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556318 1027172336 /nfs/dbraw/zinc/17/23/36/1027172336.db2.gz HGWYIOKCQSSSGC-ZDUSSCGKSA-N 1 2 349.887 3.952 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000075681945 1027194072 /nfs/dbraw/zinc/19/40/72/1027194072.db2.gz GYAISFAZDRBTDE-LBPRGKRZSA-N 1 2 337.345 3.654 20 0 EHADLO Cc1ccc(C[NH+]2CCC(c3ccccc3Br)CC2)nn1 ZINC000414428798 1027196623 /nfs/dbraw/zinc/19/66/23/1027196623.db2.gz CDGMEWQMHWGSIG-UHFFFAOYSA-N 1 2 346.272 3.927 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCCS3)n2)C1 ZINC000272985033 1027211134 /nfs/dbraw/zinc/21/11/34/1027211134.db2.gz VPUDUVBGWXLKAO-GXTWGEPZSA-N 1 2 339.530 3.599 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCCS3)n2)C1 ZINC000272985033 1027211150 /nfs/dbraw/zinc/21/11/50/1027211150.db2.gz VPUDUVBGWXLKAO-GXTWGEPZSA-N 1 2 339.530 3.599 20 0 EHADLO O=C(/C=C/c1cccnc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568909 1027213069 /nfs/dbraw/zinc/21/30/69/1027213069.db2.gz UYTYAZQKODYUIR-IZZDOVSWSA-N 1 2 344.418 3.933 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126551689 1027215869 /nfs/dbraw/zinc/21/58/69/1027215869.db2.gz YHRHDLAQHVOGIZ-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126551689 1027215886 /nfs/dbraw/zinc/21/58/86/1027215886.db2.gz YHRHDLAQHVOGIZ-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO Nc1ccc(CNc2nc(-c3ccccc3)nc3ccccc32)c[nH+]1 ZINC000302669182 1027229878 /nfs/dbraw/zinc/22/98/78/1027229878.db2.gz CXQSAONXVPNPFF-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000076051307 1027231892 /nfs/dbraw/zinc/23/18/92/1027231892.db2.gz XLHHBTCCBYXLOU-CHWSQXEVSA-N 1 2 332.835 3.713 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076076938 1027238515 /nfs/dbraw/zinc/23/85/15/1027238515.db2.gz ZRTILLRPUNCSAU-CJNGLKHVSA-N 1 2 344.846 3.640 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000531724666 1027272798 /nfs/dbraw/zinc/27/27/98/1027272798.db2.gz QLUXLVFDDGIRLJ-LJQANCHMSA-N 1 2 347.842 3.888 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000531724666 1027272805 /nfs/dbraw/zinc/27/28/05/1027272805.db2.gz QLUXLVFDDGIRLJ-LJQANCHMSA-N 1 2 347.842 3.888 20 0 EHADLO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1nc2c(s1)CCCC2 ZINC000342808029 1027277593 /nfs/dbraw/zinc/27/75/93/1027277593.db2.gz JFDRNXBYHZNURA-GFCCVEGCSA-N 1 2 326.469 3.792 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000302784352 1027289678 /nfs/dbraw/zinc/28/96/78/1027289678.db2.gz LRSMOKAAQGNIRJ-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO Cc1ccc(CNC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)nc1C ZINC000640176721 1027293863 /nfs/dbraw/zinc/29/38/63/1027293863.db2.gz PSKCJJSRCZGXRQ-UHFFFAOYSA-N 1 2 349.438 3.634 20 0 EHADLO CCc1cccc(CC)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127371789 1027302237 /nfs/dbraw/zinc/30/22/37/1027302237.db2.gz MAVHPXMHLIYFAD-GOSISDBHSA-N 1 2 339.439 3.892 20 0 EHADLO Cn1cccc1C(=O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000532653995 1027302401 /nfs/dbraw/zinc/30/24/01/1027302401.db2.gz ZVNBHTWGXLWKBZ-UHFFFAOYSA-N 1 2 332.394 3.931 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000532653995 1027302422 /nfs/dbraw/zinc/30/24/22/1027302422.db2.gz ZVNBHTWGXLWKBZ-UHFFFAOYSA-N 1 2 332.394 3.931 20 0 EHADLO FC(F)(F)c1cccnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000076652589 1027307436 /nfs/dbraw/zinc/30/74/36/1027307436.db2.gz BOLYBRWWZNIESO-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO C[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342811602 1027317343 /nfs/dbraw/zinc/31/73/43/1027317343.db2.gz GFVCMIBIXVFFAZ-OAHLLOKOSA-N 1 2 344.418 3.897 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)o1 ZINC000657569097 1027326579 /nfs/dbraw/zinc/32/65/79/1027326579.db2.gz MSOZOWJRNZLRKV-MEDUHNTESA-N 1 2 326.375 3.781 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@H](C)n4ncnc43)s2)cc1 ZINC000657569549 1027332912 /nfs/dbraw/zinc/33/29/12/1027332912.db2.gz OWUVXONEPRODKA-SWLSCSKDSA-N 1 2 325.441 3.506 20 0 EHADLO CCn1c(C[NH2+][C@@H](CCOC)c2ccco2)nc2c1cccc2F ZINC000273265893 1027344837 /nfs/dbraw/zinc/34/48/37/1027344837.db2.gz LMQJNHOGNSHKAX-AWEZNQCLSA-N 1 2 331.391 3.656 20 0 EHADLO Clc1cccnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000273292415 1027360696 /nfs/dbraw/zinc/36/06/96/1027360696.db2.gz FSKQPLZRHLGPHH-UHFFFAOYSA-N 1 2 338.842 3.737 20 0 EHADLO Cc1csc(C[C@@H]2CC[N@@H+](Cc3c(Cl)nc(Cl)n3C)C2)n1 ZINC000897298674 1027396856 /nfs/dbraw/zinc/39/68/56/1027396856.db2.gz GOIQYBNSIIXQNO-JTQLQIEISA-N 1 2 345.299 3.556 20 0 EHADLO Cc1csc(C[C@@H]2CC[N@H+](Cc3c(Cl)nc(Cl)n3C)C2)n1 ZINC000897298674 1027396878 /nfs/dbraw/zinc/39/68/78/1027396878.db2.gz GOIQYBNSIIXQNO-JTQLQIEISA-N 1 2 345.299 3.556 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCCC[C@@H]1c1ccco1 ZINC000077591713 1027434963 /nfs/dbraw/zinc/43/49/63/1027434963.db2.gz FJKWKIMUOSESRB-MRXNPFEDSA-N 1 2 342.443 3.639 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)CC2 ZINC000453140818 1027448721 /nfs/dbraw/zinc/44/87/21/1027448721.db2.gz ZLMDOGCBXGPPET-VQTJNVASSA-N 1 2 333.435 3.876 20 0 EHADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1O ZINC000459305781 1027484839 /nfs/dbraw/zinc/48/48/39/1027484839.db2.gz QHFXUBBMWCYHJG-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1O ZINC000459305781 1027484850 /nfs/dbraw/zinc/48/48/50/1027484850.db2.gz QHFXUBBMWCYHJG-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000536574698 1027500792 /nfs/dbraw/zinc/50/07/92/1027500792.db2.gz ZIYWRFYLHMLQOB-GFCCVEGCSA-N 1 2 333.229 3.625 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000501746789 1027505288 /nfs/dbraw/zinc/50/52/88/1027505288.db2.gz MYGWEMDTKXRNGC-UHFFFAOYSA-N 1 2 348.450 3.789 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(c3ncc[nH]3)CC2)s1 ZINC000273597364 1027510921 /nfs/dbraw/zinc/51/09/21/1027510921.db2.gz KOMYIZWXNTYEIY-UHFFFAOYSA-N 1 2 330.379 3.573 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C(C)C ZINC000303283344 1027517721 /nfs/dbraw/zinc/51/77/21/1027517721.db2.gz VDLSKRZZKLZHQW-OJLWIZQOSA-N 1 2 328.500 3.916 20 0 EHADLO COc1ccccc1/C=C\C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000501764740 1027524850 /nfs/dbraw/zinc/52/48/50/1027524850.db2.gz SMOQCGAVQGIBOL-XFFZJAGNSA-N 1 2 346.434 3.524 20 0 EHADLO CCC[N@H+](Cc1cnc(C2CC2)nc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000459319237 1027560067 /nfs/dbraw/zinc/56/00/67/1027560067.db2.gz DAIJPMGYXGYQFX-HNNXBMFYSA-N 1 2 338.455 3.593 20 0 EHADLO CCC[N@@H+](Cc1cnc(C2CC2)nc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000459319237 1027560075 /nfs/dbraw/zinc/56/00/75/1027560075.db2.gz DAIJPMGYXGYQFX-HNNXBMFYSA-N 1 2 338.455 3.593 20 0 EHADLO CCC[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000459317724 1027572409 /nfs/dbraw/zinc/57/24/09/1027572409.db2.gz NDYRBSSTNBQZPO-QGZVFWFLSA-N 1 2 332.492 3.720 20 0 EHADLO FC(F)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277882744 1027599487 /nfs/dbraw/zinc/59/94/87/1027599487.db2.gz SNOAKNCLTNERLB-UHFFFAOYSA-N 1 2 336.411 3.580 20 0 EHADLO FC(F)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277882744 1027599495 /nfs/dbraw/zinc/59/94/95/1027599495.db2.gz SNOAKNCLTNERLB-UHFFFAOYSA-N 1 2 336.411 3.580 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(Cc3cc4ccccc4s3)no2)C1 ZINC000420500013 1027603333 /nfs/dbraw/zinc/60/33/33/1027603333.db2.gz FAVPITBAUGKSTM-HNNXBMFYSA-N 1 2 343.452 3.657 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(Cc3cc4ccccc4s3)no2)C1 ZINC000420500013 1027603340 /nfs/dbraw/zinc/60/33/40/1027603340.db2.gz FAVPITBAUGKSTM-HNNXBMFYSA-N 1 2 343.452 3.657 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000129970223 1027622227 /nfs/dbraw/zinc/62/22/27/1027622227.db2.gz CIXRPLLLQZKUEP-KDOFPFPSSA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000129970223 1027622234 /nfs/dbraw/zinc/62/22/34/1027622234.db2.gz CIXRPLLLQZKUEP-KDOFPFPSSA-N 1 2 330.403 3.581 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)n2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000342851310 1027642366 /nfs/dbraw/zinc/64/23/66/1027642366.db2.gz BNRDMERESZFTTL-HNNXBMFYSA-N 1 2 343.471 3.546 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)n2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000342851310 1027642374 /nfs/dbraw/zinc/64/23/74/1027642374.db2.gz BNRDMERESZFTTL-HNNXBMFYSA-N 1 2 343.471 3.546 20 0 EHADLO COc1ccc(CN(Cc2[nH+]cc(C)n2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000342851310 1027642388 /nfs/dbraw/zinc/64/23/88/1027642388.db2.gz BNRDMERESZFTTL-HNNXBMFYSA-N 1 2 343.471 3.546 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2c(Cl)cccc2C1 ZINC000153282380 1027653364 /nfs/dbraw/zinc/65/33/64/1027653364.db2.gz YMNPRFQNVNYZPF-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000105895719 1027655096 /nfs/dbraw/zinc/65/50/96/1027655096.db2.gz CKVIHMSPLAFYPP-LSDHHAIUSA-N 1 2 331.464 3.661 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000105895719 1027655098 /nfs/dbraw/zinc/65/50/98/1027655098.db2.gz CKVIHMSPLAFYPP-LSDHHAIUSA-N 1 2 331.464 3.661 20 0 EHADLO CC(C)Cn1cnc2c1c1ccccc1nc2NCc1cc[nH+]c(N)c1 ZINC001167614059 1027661955 /nfs/dbraw/zinc/66/19/55/1027661955.db2.gz OELNTIXYDCQBFC-UHFFFAOYSA-N 1 2 346.438 3.830 20 0 EHADLO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342858299 1027676033 /nfs/dbraw/zinc/67/60/33/1027676033.db2.gz XZZLRFLXNHZASC-BRWVUGGUSA-N 1 2 343.496 3.722 20 0 EHADLO COc1ccc(-c2cncc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000347330448 1027687842 /nfs/dbraw/zinc/68/78/42/1027687842.db2.gz LRKVIRLZHSGRDE-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO Nc1cc(CNc2cc3c(c(OCc4ccccc4)c2)OCO3)cc[nH+]1 ZINC001167616259 1027695280 /nfs/dbraw/zinc/69/52/80/1027695280.db2.gz CBJJYOMHLGECLB-UHFFFAOYSA-N 1 2 349.390 3.584 20 0 EHADLO Cc1cc(N2CC[C@H]([C@H](C)O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000503276892 1027701498 /nfs/dbraw/zinc/70/14/98/1027701498.db2.gz SOGXLESHANPGGD-RYUDHWBXSA-N 1 2 340.345 3.649 20 0 EHADLO Cc1cc(CNC(=O)NCc2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000420760503 1027709769 /nfs/dbraw/zinc/70/97/69/1027709769.db2.gz JQPFELYITHPNBD-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOCC2(C)C)ccc1OCC(F)(F)F ZINC000130890000 1027712050 /nfs/dbraw/zinc/71/20/50/1027712050.db2.gz KITRSMASAHWWCG-UHFFFAOYSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCOCC2(C)C)ccc1OCC(F)(F)F ZINC000130890000 1027712064 /nfs/dbraw/zinc/71/20/64/1027712064.db2.gz KITRSMASAHWWCG-UHFFFAOYSA-N 1 2 347.377 3.637 20 0 EHADLO Nc1cc(CNc2nc(Cl)c(Cl)cc2C(F)(F)F)cc[nH+]1 ZINC001167616653 1027712213 /nfs/dbraw/zinc/71/22/13/1027712213.db2.gz DNWUWKYWCFTCLO-UHFFFAOYSA-N 1 2 337.132 3.997 20 0 EHADLO Nc1cc(CNc2ccc3cccc(Br)c3n2)cc[nH+]1 ZINC001167616857 1027716932 /nfs/dbraw/zinc/71/69/32/1027716932.db2.gz BEHAWXMEJUSNJL-UHFFFAOYSA-N 1 2 329.201 3.587 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)CCC(F)(F)F ZINC000533355567 1027727094 /nfs/dbraw/zinc/72/70/94/1027727094.db2.gz UZEXSHRPBOSHOB-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)CCC(F)(F)F ZINC000533355567 1027727116 /nfs/dbraw/zinc/72/71/16/1027727116.db2.gz UZEXSHRPBOSHOB-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2cc[nH+]c(N)c2)n1)CC[C@H](C)C3 ZINC001167617532 1027734883 /nfs/dbraw/zinc/73/48/83/1027734883.db2.gz SLXSVFWUEQNHGA-JTQLQIEISA-N 1 2 339.468 3.714 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957233 1027746448 /nfs/dbraw/zinc/74/64/48/1027746448.db2.gz RRNZDADRBIJGSZ-CQSZACIVSA-N 1 2 326.444 3.609 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C(=O)C4CC4)C3)s2)cc1 ZINC000564692263 1027758790 /nfs/dbraw/zinc/75/87/90/1027758790.db2.gz DAMJBHDMADOJDK-SFHVURJKSA-N 1 2 341.476 3.903 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H](C(=O)C4CC4)C3)s2)cc1 ZINC000564692263 1027758809 /nfs/dbraw/zinc/75/88/09/1027758809.db2.gz DAMJBHDMADOJDK-SFHVURJKSA-N 1 2 341.476 3.903 20 0 EHADLO COc1c(NCc2cc[nH+]c(N)c2)cccc1OCc1ccccc1 ZINC001167618861 1027767964 /nfs/dbraw/zinc/76/79/64/1027767964.db2.gz OFIQEPQEIXOCGH-UHFFFAOYSA-N 1 2 335.407 3.864 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc(C)[nH+]1 ZINC000420841670 1027783140 /nfs/dbraw/zinc/78/31/40/1027783140.db2.gz CNAKIAQDSIZQMG-JSGCOSHPSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1c[nH]c(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000628162824 1027786068 /nfs/dbraw/zinc/78/60/68/1027786068.db2.gz FRUDSTIUFBBDCJ-UHFFFAOYSA-N 1 2 335.451 3.692 20 0 EHADLO Cc1c[nH]c(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000628162824 1027786087 /nfs/dbraw/zinc/78/60/87/1027786087.db2.gz FRUDSTIUFBBDCJ-UHFFFAOYSA-N 1 2 335.451 3.692 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc1OC(F)F ZINC000414475432 1027786444 /nfs/dbraw/zinc/78/64/44/1027786444.db2.gz UZBYMDZQEHDZMX-QGZVFWFLSA-N 1 2 341.398 3.688 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc1OC(F)F ZINC000414475432 1027786453 /nfs/dbraw/zinc/78/64/53/1027786453.db2.gz UZBYMDZQEHDZMX-QGZVFWFLSA-N 1 2 341.398 3.688 20 0 EHADLO Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420845904 1027788396 /nfs/dbraw/zinc/78/83/96/1027788396.db2.gz IQGDUHBUEXEYIM-FQEVSTJZSA-N 1 2 337.467 3.924 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000665844018 1027792235 /nfs/dbraw/zinc/79/22/35/1027792235.db2.gz FCBWFCAQJUCTDW-DZFIZOCASA-N 1 2 327.472 3.514 20 0 EHADLO O=C(N1CC[NH+](Cc2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000049412263 1027809788 /nfs/dbraw/zinc/80/97/88/1027809788.db2.gz PVZOQACOJXQSBS-UHFFFAOYSA-N 1 2 344.524 3.609 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000565158616 1027835075 /nfs/dbraw/zinc/83/50/75/1027835075.db2.gz UDCPEJIXSTYQNU-AWEZNQCLSA-N 1 2 335.860 3.527 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)no1 ZINC000503527542 1027845914 /nfs/dbraw/zinc/84/59/14/1027845914.db2.gz YZWAXXSCZXSDFL-HZPDHXFCSA-N 1 2 329.444 3.595 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352813 1027857704 /nfs/dbraw/zinc/85/77/04/1027857704.db2.gz WETLPYMWESNDTE-JLTOFOAXSA-N 1 2 345.414 3.892 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352813 1027857717 /nfs/dbraw/zinc/85/77/17/1027857717.db2.gz WETLPYMWESNDTE-JLTOFOAXSA-N 1 2 345.414 3.892 20 0 EHADLO C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132068758 1027858108 /nfs/dbraw/zinc/85/81/08/1027858108.db2.gz XRYIHIZTEGIISF-GFCCVEGCSA-N 1 2 342.399 3.526 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922313 1027869113 /nfs/dbraw/zinc/86/91/13/1027869113.db2.gz FHQBCUBCTZDZPK-KBPBESRZSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922313 1027869134 /nfs/dbraw/zinc/86/91/34/1027869134.db2.gz FHQBCUBCTZDZPK-KBPBESRZSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000359928811 1027879658 /nfs/dbraw/zinc/87/96/58/1027879658.db2.gz ZYCATDOPUUKSGW-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000359928811 1027879682 /nfs/dbraw/zinc/87/96/82/1027879682.db2.gz ZYCATDOPUUKSGW-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(Nc1cccc(Nc2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000132380888 1027916330 /nfs/dbraw/zinc/91/63/30/1027916330.db2.gz DQMSTFIHIUZYDU-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCS[C@H](C(C)C)C2)o1 ZINC000132402834 1027922544 /nfs/dbraw/zinc/92/25/44/1027922544.db2.gz IDDKWIVFSMEIEV-INIZCTEOSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCS[C@H](C(C)C)C2)o1 ZINC000132402834 1027922554 /nfs/dbraw/zinc/92/25/54/1027922554.db2.gz IDDKWIVFSMEIEV-INIZCTEOSA-N 1 2 331.485 3.542 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@H](CCC(N)=O)C3)cc[nH+]c12 ZINC000194711456 1027961873 /nfs/dbraw/zinc/96/18/73/1027961873.db2.gz BVDMGKTXWPIABT-OAHLLOKOSA-N 1 2 341.455 3.506 20 0 EHADLO Cc1cccc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000114184587 1027971776 /nfs/dbraw/zinc/97/17/76/1027971776.db2.gz KMMQHWCSQHZFJE-IRXDYDNUSA-N 1 2 325.456 3.611 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C(C)(C)C ZINC000455304981 1027985859 /nfs/dbraw/zinc/98/58/59/1027985859.db2.gz OZRWUXNNSAYVJX-FUHWJXTLSA-N 1 2 346.519 3.685 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444512533 1028016401 /nfs/dbraw/zinc/01/64/01/1028016401.db2.gz UYQSFTVYMCNSBE-HKUYNNGSSA-N 1 2 343.430 3.624 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000353394359 1028046835 /nfs/dbraw/zinc/04/68/35/1028046835.db2.gz BYYDZRAVGHLRSJ-QGZVFWFLSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2(C)CCCC2)c(C)c1 ZINC000533543189 1028054793 /nfs/dbraw/zinc/05/47/93/1028054793.db2.gz CLXKWFPMOLYFEC-SFHVURJKSA-N 1 2 340.471 3.873 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444588012 1028064883 /nfs/dbraw/zinc/06/48/83/1028064883.db2.gz CPWMPEXGBOUGIX-UHFFFAOYSA-N 1 2 336.501 3.966 20 0 EHADLO CC[C@]1(C)Oc2ccc(NC(=O)NCc3cc(C)[nH+]c(C)c3)cc2O1 ZINC000421088434 1028072836 /nfs/dbraw/zinc/07/28/36/1028072836.db2.gz AWUAWYPWSWMRME-LJQANCHMSA-N 1 2 341.411 3.918 20 0 EHADLO COc1cc(C)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)c1C ZINC000421105191 1028112306 /nfs/dbraw/zinc/11/23/06/1028112306.db2.gz BFRZVHZTLCMBMH-UHFFFAOYSA-N 1 2 327.428 3.954 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1COc1ccccc1)Cn1cc[nH+]c1 ZINC000153547471 1028138083 /nfs/dbraw/zinc/13/80/83/1028138083.db2.gz FTYBBXBYQMQCTC-KRWDZBQOSA-N 1 2 349.434 3.528 20 0 EHADLO FC(F)Oc1c(Br)cccc1C[NH+]1CC(C2CC2)C1 ZINC000643345320 1028138575 /nfs/dbraw/zinc/13/85/75/1028138575.db2.gz PEMPJWXULCYWBY-UHFFFAOYSA-N 1 2 332.188 3.892 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCCc1ccc(Cl)cc1)c1ccco1 ZINC000444678198 1028148025 /nfs/dbraw/zinc/14/80/25/1028148025.db2.gz QYWLUSJEILTWGD-KRWDZBQOSA-N 1 2 347.842 3.839 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCCc1ccc(Cl)cc1)c1ccco1 ZINC000444678198 1028148033 /nfs/dbraw/zinc/14/80/33/1028148033.db2.gz QYWLUSJEILTWGD-KRWDZBQOSA-N 1 2 347.842 3.839 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444693514 1028166973 /nfs/dbraw/zinc/16/69/73/1028166973.db2.gz ADCBLUNFFCCPIQ-UHFFFAOYSA-N 1 2 332.394 3.906 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444693514 1028166982 /nfs/dbraw/zinc/16/69/82/1028166982.db2.gz ADCBLUNFFCCPIQ-UHFFFAOYSA-N 1 2 332.394 3.906 20 0 EHADLO Cc1nc2c(cccc2OCc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000421206997 1028178859 /nfs/dbraw/zinc/17/88/59/1028178859.db2.gz BQSBIVIUTGTBOP-UHFFFAOYSA-N 1 2 338.407 3.547 20 0 EHADLO CCN(CC)c1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cn1 ZINC000455467042 1028201035 /nfs/dbraw/zinc/20/10/35/1028201035.db2.gz GIHDLGQWQZJHFO-UHFFFAOYSA-N 1 2 341.459 3.570 20 0 EHADLO Brc1cccc2c1CN(Cc1cccc3[nH+]ccn31)CC2 ZINC000342929329 1028201725 /nfs/dbraw/zinc/20/17/25/1028201725.db2.gz RDEHPLBHUJRRMF-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Cc1cnc([C@H](C)SCc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000421223914 1028209588 /nfs/dbraw/zinc/20/95/88/1028209588.db2.gz KCMYYIBZPKZIMC-INIZCTEOSA-N 1 2 343.496 3.612 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)c(C)[nH+]1 ZINC000455479341 1028214895 /nfs/dbraw/zinc/21/48/95/1028214895.db2.gz GJJOOBDCZOUHLH-MRXNPFEDSA-N 1 2 347.459 3.592 20 0 EHADLO [NH3+][C@H](C(=O)NCC1(c2ccccc2)CCCCCC1)c1cscn1 ZINC000423133911 1028221841 /nfs/dbraw/zinc/22/18/41/1028221841.db2.gz LLKGTCLYSWGPQN-KRWDZBQOSA-N 1 2 343.496 3.551 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000353167688 1028237983 /nfs/dbraw/zinc/23/79/83/1028237983.db2.gz ZJCFRROXEVOKPU-KRWDZBQOSA-N 1 2 333.863 3.597 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000353167688 1028238002 /nfs/dbraw/zinc/23/80/02/1028238002.db2.gz ZJCFRROXEVOKPU-KRWDZBQOSA-N 1 2 333.863 3.597 20 0 EHADLO COCC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(C)o1 ZINC000455481834 1028246829 /nfs/dbraw/zinc/24/68/29/1028246829.db2.gz HYSCEORPEYLDPW-OAHLLOKOSA-N 1 2 331.416 3.808 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475612358 1028256732 /nfs/dbraw/zinc/25/67/32/1028256732.db2.gz OGWWTDSCQJKXCV-MJGOQNOKSA-N 1 2 344.499 3.556 20 0 EHADLO COc1ccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1NC(C)=O ZINC000455490751 1028262677 /nfs/dbraw/zinc/26/26/77/1028262677.db2.gz XPTVTQNXPKGPHC-UHFFFAOYSA-N 1 2 342.399 3.618 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)nn1C ZINC000421320628 1028264256 /nfs/dbraw/zinc/26/42/56/1028264256.db2.gz ASQISTJTGLZWQM-UHFFFAOYSA-N 1 2 347.768 3.613 20 0 EHADLO Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455508458 1028286565 /nfs/dbraw/zinc/28/65/65/1028286565.db2.gz ZZOWCLZEGFGHDK-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+]Cc2c(F)cc(C)cc2Cl)c1 ZINC000459376724 1028355732 /nfs/dbraw/zinc/35/57/32/1028355732.db2.gz RSGAKSDXVRAEGF-UHFFFAOYSA-N 1 2 334.822 3.827 20 0 EHADLO COCCCC[N@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000067462206 1028366962 /nfs/dbraw/zinc/36/69/62/1028366962.db2.gz SAHCSXNABOZMNT-UHFFFAOYSA-N 1 2 331.460 3.796 20 0 EHADLO COCCCC[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000067462206 1028366982 /nfs/dbraw/zinc/36/69/82/1028366982.db2.gz SAHCSXNABOZMNT-UHFFFAOYSA-N 1 2 331.460 3.796 20 0 EHADLO Brc1sccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000628182988 1028393149 /nfs/dbraw/zinc/39/31/49/1028393149.db2.gz NIIFDXUUVFZLMD-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO COc1cc(CNc2cccc[nH+]2)ccc1OCc1c(C)noc1C ZINC000121569090 1028397602 /nfs/dbraw/zinc/39/76/02/1028397602.db2.gz OHLLVZFEQXUMEI-UHFFFAOYSA-N 1 2 339.395 3.886 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c[nH+]1 ZINC000455551536 1028398549 /nfs/dbraw/zinc/39/85/49/1028398549.db2.gz FUVZZMVWGAIGHN-HKUYNNGSSA-N 1 2 337.467 3.861 20 0 EHADLO CCCC[C@H](CC)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431511086 1028426177 /nfs/dbraw/zinc/42/61/77/1028426177.db2.gz JQIIWLFTNMSQJK-KRWDZBQOSA-N 1 2 327.472 3.807 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000444966671 1028430393 /nfs/dbraw/zinc/43/03/93/1028430393.db2.gz LPWWNCCMQYHFQH-UHFFFAOYSA-N 1 2 345.406 3.984 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000278000534 1028431942 /nfs/dbraw/zinc/43/19/42/1028431942.db2.gz INGQRVAJLSTKJU-WMLDXEAASA-N 1 2 339.395 3.717 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000278000534 1028431954 /nfs/dbraw/zinc/43/19/54/1028431954.db2.gz INGQRVAJLSTKJU-WMLDXEAASA-N 1 2 339.395 3.717 20 0 EHADLO CSc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(Cl)n1 ZINC001142427311 1028444693 /nfs/dbraw/zinc/44/46/93/1028444693.db2.gz MTADWFCCLKPLGO-OAHLLOKOSA-N 1 2 349.887 3.895 20 0 EHADLO CSc1ncc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(Cl)n1 ZINC001142427311 1028444695 /nfs/dbraw/zinc/44/46/95/1028444695.db2.gz MTADWFCCLKPLGO-OAHLLOKOSA-N 1 2 349.887 3.895 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)cc(=O)oc2c1C ZINC000193853534 1028471044 /nfs/dbraw/zinc/47/10/44/1028471044.db2.gz PLJJHLQHWSRBRU-OAHLLOKOSA-N 1 2 337.423 3.513 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)cc(=O)oc2c1C ZINC000193853534 1028471055 /nfs/dbraw/zinc/47/10/55/1028471055.db2.gz PLJJHLQHWSRBRU-OAHLLOKOSA-N 1 2 337.423 3.513 20 0 EHADLO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C2CCCCC2)n1 ZINC000354703152 1028486638 /nfs/dbraw/zinc/48/66/38/1028486638.db2.gz JPBYFKUSDKQFAA-PMACEKPBSA-N 1 2 329.488 3.611 20 0 EHADLO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C2CCCCC2)n1 ZINC000354703152 1028486646 /nfs/dbraw/zinc/48/66/46/1028486646.db2.gz JPBYFKUSDKQFAA-PMACEKPBSA-N 1 2 329.488 3.611 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137736 1028492413 /nfs/dbraw/zinc/49/24/13/1028492413.db2.gz MVFRHQJQHLHLGD-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137736 1028492425 /nfs/dbraw/zinc/49/24/25/1028492425.db2.gz MVFRHQJQHLHLGD-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO COC(=O)c1cnc(Cl)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086574 1028495097 /nfs/dbraw/zinc/49/50/97/1028495097.db2.gz SKYODIQDUBNXAT-UHFFFAOYSA-N 1 2 328.759 3.655 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475620912 1028504587 /nfs/dbraw/zinc/50/45/87/1028504587.db2.gz FOSKGPJXIFKSCA-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000475620912 1028504596 /nfs/dbraw/zinc/50/45/96/1028504596.db2.gz FOSKGPJXIFKSCA-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO C=Cn1cc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)cn1 ZINC000194280268 1028505247 /nfs/dbraw/zinc/50/52/47/1028505247.db2.gz YEIIJYDMHVJGLY-HXUWFJFHSA-N 1 2 343.434 3.750 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)[nH+]1 ZINC000072751078 1028517634 /nfs/dbraw/zinc/51/76/34/1028517634.db2.gz YWDCHYWKKPPSJD-SECBINFHSA-N 1 2 347.831 3.924 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC=C(C)C2)c(C)c1 ZINC000583002991 1028519457 /nfs/dbraw/zinc/51/94/57/1028519457.db2.gz INXRPBUOFCSWOS-LJQANCHMSA-N 1 2 338.455 3.603 20 0 EHADLO C[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153657120 1028524020 /nfs/dbraw/zinc/52/40/20/1028524020.db2.gz MMFIYNUPZSQQLL-QGZVFWFLSA-N 1 2 349.434 3.528 20 0 EHADLO Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc[nH+]1 ZINC000073300664 1028548896 /nfs/dbraw/zinc/54/88/96/1028548896.db2.gz GVSMYMVUWQJBQY-UHFFFAOYSA-N 1 2 325.343 3.755 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421554457 1028553354 /nfs/dbraw/zinc/55/33/54/1028553354.db2.gz GLNXAMSSTICZMI-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000523702387 1028556071 /nfs/dbraw/zinc/55/60/71/1028556071.db2.gz VQLGTFPCFMTXKS-LJQANCHMSA-N 1 2 349.434 3.558 20 0 EHADLO Fc1ccccc1CSCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194965700 1028563857 /nfs/dbraw/zinc/56/38/57/1028563857.db2.gz LAASSZRZKLJHNC-KRWDZBQOSA-N 1 2 342.443 3.556 20 0 EHADLO c1c[nH]c([C@@H]([NH2+]CCOc2ccc3ccccc3c2)c2cccnc2)n1 ZINC000194974355 1028566616 /nfs/dbraw/zinc/56/66/16/1028566616.db2.gz WRHAEWXVPMAADS-FQEVSTJZSA-N 1 2 344.418 3.716 20 0 EHADLO COc1ccc(S[C@@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421576421 1028571972 /nfs/dbraw/zinc/57/19/72/1028571972.db2.gz MIGBSUMCDOUJOF-AWEZNQCLSA-N 1 2 330.453 3.504 20 0 EHADLO Cc1nc(N[C@@H]2CSCc3ccc(Br)cc32)cc[nH+]1 ZINC000664362524 1028587556 /nfs/dbraw/zinc/58/75/56/1028587556.db2.gz YEASWKQKLAHANV-CYBMUJFWSA-N 1 2 336.258 3.948 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000195193985 1028588151 /nfs/dbraw/zinc/58/81/51/1028588151.db2.gz RRNZDADRBIJGSZ-AWEZNQCLSA-N 1 2 326.444 3.609 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000074472658 1028616139 /nfs/dbraw/zinc/61/61/39/1028616139.db2.gz KNSHBZDWJBGTOB-MRXNPFEDSA-N 1 2 329.488 3.773 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccncc1 ZINC000502745480 1028628382 /nfs/dbraw/zinc/62/83/82/1028628382.db2.gz ROAMVZFZAUYFEY-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccncc1 ZINC000502745480 1028628398 /nfs/dbraw/zinc/62/83/98/1028628398.db2.gz ROAMVZFZAUYFEY-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1noc(C2CCOCC2)n1 ZINC000195514945 1028638465 /nfs/dbraw/zinc/63/84/65/1028638465.db2.gz GJVSUJJKHXTOKY-QGZVFWFLSA-N 1 2 327.428 3.609 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1noc(C2CCOCC2)n1 ZINC000195514945 1028638472 /nfs/dbraw/zinc/63/84/72/1028638472.db2.gz GJVSUJJKHXTOKY-QGZVFWFLSA-N 1 2 327.428 3.609 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001211972121 1028678371 /nfs/dbraw/zinc/67/83/71/1028678371.db2.gz ZWGZMCBOLHREDI-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000246772553 1028689691 /nfs/dbraw/zinc/68/96/91/1028689691.db2.gz BMPYHLCMMQPJMW-MNZLEMJZSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153761078 1028700209 /nfs/dbraw/zinc/70/02/09/1028700209.db2.gz ZGTMINDRUUHGIF-QGZVFWFLSA-N 1 2 333.435 3.545 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC3(C)C)n2)C1 ZINC000343028767 1028704816 /nfs/dbraw/zinc/70/48/16/1028704816.db2.gz SNPJVVNHAKARAO-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC3(C)C)n2)C1 ZINC000343028767 1028704827 /nfs/dbraw/zinc/70/48/27/1028704827.db2.gz SNPJVVNHAKARAO-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000245465573 1028719622 /nfs/dbraw/zinc/71/96/22/1028719622.db2.gz ISGQADNYFLVFER-HNAYVOBHSA-N 1 2 349.434 3.925 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000245465573 1028719641 /nfs/dbraw/zinc/71/96/41/1028719641.db2.gz ISGQADNYFLVFER-HNAYVOBHSA-N 1 2 349.434 3.925 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c[nH+]1 ZINC000454308080 1028748661 /nfs/dbraw/zinc/74/86/61/1028748661.db2.gz URWMGHQORZDBEY-JTQLQIEISA-N 1 2 330.457 3.601 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000247291939 1028771991 /nfs/dbraw/zinc/77/19/91/1028771991.db2.gz FCWQGBYMWGVFMF-RNJTYBCJSA-N 1 2 343.858 3.750 20 0 EHADLO Oc1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)cc1F ZINC000278071476 1028781289 /nfs/dbraw/zinc/78/12/89/1028781289.db2.gz FOKXVTFKDCPRSW-MRXNPFEDSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1F ZINC000278071476 1028781306 /nfs/dbraw/zinc/78/13/06/1028781306.db2.gz FOKXVTFKDCPRSW-MRXNPFEDSA-N 1 2 339.370 3.918 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)n1 ZINC000245538248 1028782795 /nfs/dbraw/zinc/78/27/95/1028782795.db2.gz MTFQEFYXNSFAQK-HUUCEWRRSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)n1 ZINC000245538248 1028782804 /nfs/dbraw/zinc/78/28/04/1028782804.db2.gz MTFQEFYXNSFAQK-HUUCEWRRSA-N 1 2 349.500 3.657 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000079503455 1028795087 /nfs/dbraw/zinc/79/50/87/1028795087.db2.gz BFTXOTNWRMISLO-SFHVURJKSA-N 1 2 346.496 3.513 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000079503455 1028795097 /nfs/dbraw/zinc/79/50/97/1028795097.db2.gz BFTXOTNWRMISLO-SFHVURJKSA-N 1 2 346.496 3.513 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000247596567 1028804919 /nfs/dbraw/zinc/80/49/19/1028804919.db2.gz MVZNZFLOXCOYGV-AYOQOUSVSA-N 1 2 338.455 3.627 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)s2)sc1Br ZINC000414554793 1028821220 /nfs/dbraw/zinc/82/12/20/1028821220.db2.gz LFKFRNWZJRWAFL-UHFFFAOYSA-N 1 2 344.303 3.838 20 0 EHADLO O=C(NCC1(C2CC2)CCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000532785192 1028837032 /nfs/dbraw/zinc/83/70/32/1028837032.db2.gz YDYQIWPFENYUHH-UHFFFAOYSA-N 1 2 348.516 3.831 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1cc(F)ccc1F ZINC000445487900 1028849902 /nfs/dbraw/zinc/84/99/02/1028849902.db2.gz UQPMPWRGINQGMC-QHCPKHFHSA-N 1 2 332.375 3.517 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000424159410 1028858905 /nfs/dbraw/zinc/85/89/05/1028858905.db2.gz SPJDTTPQNZEEHR-IYBDPMFKSA-N 1 2 328.460 3.690 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000248198816 1028860474 /nfs/dbraw/zinc/86/04/74/1028860474.db2.gz XXSNSQITXYBDNH-UPJWGTAASA-N 1 2 327.519 3.744 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000248198816 1028860497 /nfs/dbraw/zinc/86/04/97/1028860497.db2.gz XXSNSQITXYBDNH-UPJWGTAASA-N 1 2 327.519 3.744 20 0 EHADLO COc1ccccc1[C@H](NCc1c[nH+]cn1C(C)C)c1ccccn1 ZINC000424160669 1028864678 /nfs/dbraw/zinc/86/46/78/1028864678.db2.gz RGULICKTWYMZQH-FQEVSTJZSA-N 1 2 336.439 3.747 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000424195869 1028884191 /nfs/dbraw/zinc/88/41/91/1028884191.db2.gz UANWMHNCDDEEFG-CQSZACIVSA-N 1 2 328.243 3.594 20 0 EHADLO Cc1ncc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)nc1Br ZINC001213087264 1028942193 /nfs/dbraw/zinc/94/21/93/1028942193.db2.gz NVBZCBFSPKZQDM-UHFFFAOYSA-N 1 2 330.189 3.681 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830234 1028955070 /nfs/dbraw/zinc/95/50/70/1028955070.db2.gz LACIITZKLNOYKV-MOPGFXCFSA-N 1 2 331.456 3.647 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830234 1028955086 /nfs/dbraw/zinc/95/50/86/1028955086.db2.gz LACIITZKLNOYKV-MOPGFXCFSA-N 1 2 331.456 3.647 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000248901619 1028964145 /nfs/dbraw/zinc/96/41/45/1028964145.db2.gz VLHVYSKPUCYELW-BEFAXECRSA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000248901619 1028964160 /nfs/dbraw/zinc/96/41/60/1028964160.db2.gz VLHVYSKPUCYELW-BEFAXECRSA-N 1 2 343.446 3.639 20 0 EHADLO CC(C)Oc1nnc(SCc2c[nH+]cn2Cc2ccccc2)s1 ZINC000445605174 1028968499 /nfs/dbraw/zinc/96/84/99/1028968499.db2.gz PTLGVWKKKLSIGV-UHFFFAOYSA-N 1 2 346.481 3.862 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2nccc3ccccc32)s1 ZINC000424330903 1028977817 /nfs/dbraw/zinc/97/78/17/1028977817.db2.gz RJLJYWLYYIBLIA-NWDGAFQWSA-N 1 2 341.436 3.890 20 0 EHADLO CC(C)C[N@H+](Cc1nc(C2CC2)nn1C)[C@H]1CCCc2cccnc21 ZINC000583142067 1028979727 /nfs/dbraw/zinc/97/97/27/1028979727.db2.gz AANKHBSDNDRAOG-KRWDZBQOSA-N 1 2 339.487 3.623 20 0 EHADLO CC(C)C[N@@H+](Cc1nc(C2CC2)nn1C)[C@H]1CCCc2cccnc21 ZINC000583142067 1028979744 /nfs/dbraw/zinc/97/97/44/1028979744.db2.gz AANKHBSDNDRAOG-KRWDZBQOSA-N 1 2 339.487 3.623 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454506509 1028990141 /nfs/dbraw/zinc/99/01/41/1028990141.db2.gz KWDCCXUQRYUPRR-GPMSIDNRSA-N 1 2 345.487 3.558 20 0 EHADLO COc1ccc([C@H](CCC(C)C)[NH2+]Cc2nccc(OC)n2)cc1 ZINC000424308103 1028993100 /nfs/dbraw/zinc/99/31/00/1028993100.db2.gz NUORCHAXRBHKEJ-KRWDZBQOSA-N 1 2 329.444 3.761 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000076508071 1029005153 /nfs/dbraw/zinc/00/51/53/1029005153.db2.gz MKSOWNSMPZRZBH-LJQANCHMSA-N 1 2 345.446 3.886 20 0 EHADLO CC[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000503088945 1029042728 /nfs/dbraw/zinc/04/27/28/1029042728.db2.gz WHFZQBKUXGNAIR-BFYDXBDKSA-N 1 2 346.496 3.875 20 0 EHADLO CC[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000503088945 1029042739 /nfs/dbraw/zinc/04/27/39/1029042739.db2.gz WHFZQBKUXGNAIR-BFYDXBDKSA-N 1 2 346.496 3.875 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000123840175 1029046073 /nfs/dbraw/zinc/04/60/73/1029046073.db2.gz KCEPTAISOOEPAE-UHFFFAOYSA-N 1 2 337.876 3.811 20 0 EHADLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000524306744 1029066187 /nfs/dbraw/zinc/06/61/87/1029066187.db2.gz IITBRWRDTULXAS-SFHVURJKSA-N 1 2 331.456 3.622 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](CCCOCCc2ccccc2)CCO1 ZINC000524307452 1029069135 /nfs/dbraw/zinc/06/91/35/1029069135.db2.gz FIJDJCWVQNIZJG-NRFANRHFSA-N 1 2 343.442 3.848 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CCO1 ZINC000524307452 1029069155 /nfs/dbraw/zinc/06/91/55/1029069155.db2.gz FIJDJCWVQNIZJG-NRFANRHFSA-N 1 2 343.442 3.848 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000154243800 1029072415 /nfs/dbraw/zinc/07/24/15/1029072415.db2.gz SBPHWWWRSYWJQJ-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000154243800 1029072434 /nfs/dbraw/zinc/07/24/34/1029072434.db2.gz SBPHWWWRSYWJQJ-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CCC(CC)CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176470028 1029080713 /nfs/dbraw/zinc/08/07/13/1029080713.db2.gz FHVNIZKQAXGMHA-UHFFFAOYSA-N 1 2 346.519 3.766 20 0 EHADLO Fc1cccc([C@H]([NH2+]Cc2cn3cccnc3n2)c2ccccc2)c1 ZINC000154332882 1029121454 /nfs/dbraw/zinc/12/14/54/1029121454.db2.gz RWBUJPPQIWQNSG-LJQANCHMSA-N 1 2 332.382 3.748 20 0 EHADLO CCC1(c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)CCCC1 ZINC000445786921 1029125450 /nfs/dbraw/zinc/12/54/50/1029125450.db2.gz YJASSJRJQJRZCM-UHFFFAOYSA-N 1 2 341.455 3.791 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458419937 1029152045 /nfs/dbraw/zinc/15/20/45/1029152045.db2.gz ALCNCWDLIISFPX-CXAGYDPISA-N 1 2 348.878 3.703 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CC[C@H]1C ZINC000251923885 1029167888 /nfs/dbraw/zinc/16/78/88/1029167888.db2.gz SOZCCSIIBOTWPC-RHSMWYFYSA-N 1 2 332.469 3.579 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CC[C@H]1C ZINC000251923885 1029167901 /nfs/dbraw/zinc/16/79/01/1029167901.db2.gz SOZCCSIIBOTWPC-RHSMWYFYSA-N 1 2 332.469 3.579 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445861067 1029178781 /nfs/dbraw/zinc/17/87/81/1029178781.db2.gz IZKAGKKWCNCXQL-GOSISDBHSA-N 1 2 347.455 3.574 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445861067 1029178789 /nfs/dbraw/zinc/17/87/89/1029178789.db2.gz IZKAGKKWCNCXQL-GOSISDBHSA-N 1 2 347.455 3.574 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000445851174 1029185393 /nfs/dbraw/zinc/18/53/93/1029185393.db2.gz ANXZRJCUMWTZRO-OAHLLOKOSA-N 1 2 337.533 3.819 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000424631588 1029195026 /nfs/dbraw/zinc/19/50/26/1029195026.db2.gz SDTTYVREJMBBQH-QGZVFWFLSA-N 1 2 325.456 3.624 20 0 EHADLO Cc1ccc2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2n1 ZINC000078076165 1029195821 /nfs/dbraw/zinc/19/58/21/1029195821.db2.gz DXGNKVNXTRUVJB-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454684380 1029197287 /nfs/dbraw/zinc/19/72/87/1029197287.db2.gz ULETYWGIHUVZHO-UHFFFAOYSA-N 1 2 329.469 3.728 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CC1 ZINC000271850401 1029197772 /nfs/dbraw/zinc/19/77/72/1029197772.db2.gz VZWRIXYKOAVIQX-AWEZNQCLSA-N 1 2 338.224 3.563 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccco3)ccc2[nH+]1 ZINC000454688241 1029201267 /nfs/dbraw/zinc/20/12/67/1029201267.db2.gz URJTUFYRZLJIHZ-KRWDZBQOSA-N 1 2 336.395 3.995 20 0 EHADLO Cc1ccc(CC[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445535233 1029207285 /nfs/dbraw/zinc/20/72/85/1029207285.db2.gz CBOBTSQQHQFWGA-XMMPIXPASA-N 1 2 338.476 3.731 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2cc(F)cc3c2OCOC3)c1 ZINC000271911595 1029223916 /nfs/dbraw/zinc/22/39/16/1029223916.db2.gz AIVCTBFHZZMLBS-UHFFFAOYSA-N 1 2 335.400 3.838 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCc2sccc21 ZINC000154644181 1029255925 /nfs/dbraw/zinc/25/59/25/1029255925.db2.gz CWHXXQPQBLSSNN-INIZCTEOSA-N 1 2 337.448 3.670 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2nc(-c3cccs3)no2)c1 ZINC000272009058 1029269667 /nfs/dbraw/zinc/26/96/67/1029269667.db2.gz FVMXGKUUIBGGQS-UHFFFAOYSA-N 1 2 333.438 3.944 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000161780444 1029289045 /nfs/dbraw/zinc/28/90/45/1029289045.db2.gz AFNXSLDQMMTVJO-CYBMUJFWSA-N 1 2 330.428 3.952 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000161780444 1029289063 /nfs/dbraw/zinc/28/90/63/1029289063.db2.gz AFNXSLDQMMTVJO-CYBMUJFWSA-N 1 2 330.428 3.952 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCCCC2)c(C)c1 ZINC000533083871 1029292805 /nfs/dbraw/zinc/29/28/05/1029292805.db2.gz IILQPEUGAAOHPG-LJQANCHMSA-N 1 2 340.471 3.827 20 0 EHADLO CC1(C)Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2O1 ZINC000161831383 1029296831 /nfs/dbraw/zinc/29/68/31/1029296831.db2.gz QUGWIWBRYYLIEF-UHFFFAOYSA-N 1 2 333.435 3.876 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000524555251 1029312618 /nfs/dbraw/zinc/31/26/18/1029312618.db2.gz IJSDQRCDLTZPQB-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000524555251 1029312633 /nfs/dbraw/zinc/31/26/33/1029312633.db2.gz IJSDQRCDLTZPQB-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO C[C@H](C(=O)Nc1ccc2oc3ccccc3c2c1)[NH+]1CCSCC1 ZINC000533089793 1029317053 /nfs/dbraw/zinc/31/70/53/1029317053.db2.gz TYGDZNSGVURUKU-CYBMUJFWSA-N 1 2 340.448 3.962 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c[nH+]1 ZINC000454802610 1029336861 /nfs/dbraw/zinc/33/68/61/1029336861.db2.gz HRNGMSFANOBKGG-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCC(C)(C)CC1 ZINC000124895656 1029362483 /nfs/dbraw/zinc/36/24/83/1029362483.db2.gz CGOBIASEDDUHOY-UHFFFAOYSA-N 1 2 325.456 3.972 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000245851938 1029382381 /nfs/dbraw/zinc/38/23/81/1029382381.db2.gz BPTXNXFCUWNAAR-ZSYWTGECSA-N 1 2 343.515 3.808 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125006671 1029393895 /nfs/dbraw/zinc/39/38/95/1029393895.db2.gz KHWFSVVDSMEGNG-ABAIWWIYSA-N 1 2 338.238 3.913 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000152047862 1029394844 /nfs/dbraw/zinc/39/48/44/1029394844.db2.gz FRUQPLNHGPAQFI-WBVHZDCISA-N 1 2 332.492 3.692 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)Cc1cccc(-c2ccccn2)c1 ZINC000155008278 1029397978 /nfs/dbraw/zinc/39/79/78/1029397978.db2.gz LWZIZFOVEZFTFT-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)Cc1cccc(-c2ccccn2)c1 ZINC000155008278 1029397992 /nfs/dbraw/zinc/39/79/92/1029397992.db2.gz LWZIZFOVEZFTFT-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000078622373 1029400510 /nfs/dbraw/zinc/40/05/10/1029400510.db2.gz LTWGKQRMDACCHC-UHFFFAOYSA-N 1 2 326.400 3.714 20 0 EHADLO O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2[nH+]ccn21 ZINC000524652930 1029412077 /nfs/dbraw/zinc/41/20/77/1029412077.db2.gz JGWXNUXQZXDLLT-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO COCC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(C)o1 ZINC000272394701 1029446759 /nfs/dbraw/zinc/44/67/59/1029446759.db2.gz ZRUSJLSNPDUZID-OAHLLOKOSA-N 1 2 343.452 3.974 20 0 EHADLO Cc1c2cc(C)ccc2sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000446160324 1029457848 /nfs/dbraw/zinc/45/78/48/1029457848.db2.gz FXLVYNHMRQHZJB-CYBMUJFWSA-N 1 2 327.453 3.781 20 0 EHADLO CC(C)CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCC1 ZINC000272452668 1029466546 /nfs/dbraw/zinc/46/65/46/1029466546.db2.gz QRBOECBRDSOKRP-UHFFFAOYSA-N 1 2 326.444 3.698 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)sc1C ZINC000533221714 1029486372 /nfs/dbraw/zinc/48/63/72/1029486372.db2.gz OLQRDLJZSUQFQT-INIZCTEOSA-N 1 2 347.459 3.929 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)sc1C ZINC000533221714 1029486382 /nfs/dbraw/zinc/48/63/82/1029486382.db2.gz OLQRDLJZSUQFQT-INIZCTEOSA-N 1 2 347.459 3.929 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000524756365 1029487132 /nfs/dbraw/zinc/48/71/32/1029487132.db2.gz ZLDWFRUEBNNMKJ-GMTAPVOTSA-N 1 2 330.856 3.632 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000665923593 1029503790 /nfs/dbraw/zinc/50/37/90/1029503790.db2.gz IXSHKXNEROSABY-FQEVSTJZSA-N 1 2 345.446 3.675 20 0 EHADLO CC(C)C(CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000446218621 1029503834 /nfs/dbraw/zinc/50/38/34/1029503834.db2.gz IOVXYGZMNZQQJS-UHFFFAOYSA-N 1 2 346.519 3.799 20 0 EHADLO CCOC(=O)c1cccnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000079011413 1029539396 /nfs/dbraw/zinc/53/93/96/1029539396.db2.gz XOZVQQITVYQXNQ-UHFFFAOYSA-N 1 2 327.409 3.507 20 0 EHADLO CCOC(=O)c1cccnc1SCc1[nH+]cc(C)c(OC)c1C ZINC000079011753 1029539458 /nfs/dbraw/zinc/53/94/58/1029539458.db2.gz QOMRWILDVNFYQF-UHFFFAOYSA-N 1 2 332.425 3.571 20 0 EHADLO FC(F)(F)[C@H]1CC[C@@H](C[NH+](Cc2ccco2)Cc2ccco2)O1 ZINC000929091191 1029547695 /nfs/dbraw/zinc/54/76/95/1029547695.db2.gz IKURHXNKFUBSPJ-LSDHHAIUSA-N 1 2 329.318 3.985 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000434304948 1029558123 /nfs/dbraw/zinc/55/81/23/1029558123.db2.gz ARWLAQLZSWLSHO-UHFFFAOYSA-N 1 2 329.469 3.525 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)c1 ZINC000434304948 1029558138 /nfs/dbraw/zinc/55/81/38/1029558138.db2.gz ARWLAQLZSWLSHO-UHFFFAOYSA-N 1 2 329.469 3.525 20 0 EHADLO CC1(C)CC=C(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000455020091 1029558732 /nfs/dbraw/zinc/55/87/32/1029558732.db2.gz ZAXMMAQJTOTGCI-UHFFFAOYSA-N 1 2 327.403 3.764 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000079210969 1029586508 /nfs/dbraw/zinc/58/65/08/1029586508.db2.gz VMUZTNHUDZREBW-LPHOPBHVSA-N 1 2 340.471 3.652 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1nc2c(s1)CCC2 ZINC000533299610 1029602036 /nfs/dbraw/zinc/60/20/36/1029602036.db2.gz QQBUOMVZOQFYKN-CQSZACIVSA-N 1 2 345.468 3.781 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1nc2c(s1)CCC2 ZINC000533299610 1029602048 /nfs/dbraw/zinc/60/20/48/1029602048.db2.gz QQBUOMVZOQFYKN-CQSZACIVSA-N 1 2 345.468 3.781 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000524968921 1029639161 /nfs/dbraw/zinc/63/91/61/1029639161.db2.gz FOGBBVUWMHSSNQ-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000126024278 1029651386 /nfs/dbraw/zinc/65/13/86/1029651386.db2.gz HDHNSOQBVVGBJN-SJCJKPOMSA-N 1 2 332.831 3.616 20 0 EHADLO Cc1ccc(C2=CC[N@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)cc1 ZINC000052281950 1029667154 /nfs/dbraw/zinc/66/71/54/1029667154.db2.gz VHTWUQURTHWINQ-QGZVFWFLSA-N 1 2 345.450 3.821 20 0 EHADLO Cc1ccc(C2=CC[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)cc1 ZINC000052281950 1029667157 /nfs/dbraw/zinc/66/71/57/1029667157.db2.gz VHTWUQURTHWINQ-QGZVFWFLSA-N 1 2 345.450 3.821 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4sccc4Cl)n3)[nH+]c12 ZINC000583406445 1029784079 /nfs/dbraw/zinc/78/40/79/1029784079.db2.gz HPIFCVMAXNOSFT-UHFFFAOYSA-N 1 2 330.800 3.998 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@@]1(CC)C(C)C ZINC000455636275 1029788746 /nfs/dbraw/zinc/78/87/46/1029788746.db2.gz XVVKIIVIOWDLRS-LPHOPBHVSA-N 1 2 334.508 3.692 20 0 EHADLO C[C@]1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000080322532 1029796042 /nfs/dbraw/zinc/79/60/42/1029796042.db2.gz LGNQQMPDKNQHAR-QFIPXVFZSA-N 1 2 345.446 3.684 20 0 EHADLO Cc1cc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc(C(F)(F)F)c1 ZINC001211580115 1029799961 /nfs/dbraw/zinc/79/99/61/1029799961.db2.gz MUGCJZDHQNXUGH-NSHDSACASA-N 1 2 347.287 3.776 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455649157 1029811122 /nfs/dbraw/zinc/81/11/22/1029811122.db2.gz PZTUSPUFWNKQRY-KDOFPFPSSA-N 1 2 345.874 3.955 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455650280 1029812733 /nfs/dbraw/zinc/81/27/33/1029812733.db2.gz DMBIJNHBDWLCNS-QFBILLFUSA-N 1 2 325.456 3.610 20 0 EHADLO CC(C)[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000446851614 1029819246 /nfs/dbraw/zinc/81/92/46/1029819246.db2.gz DMUZQPWWMVCGHR-SJLPKXTDSA-N 1 2 345.487 3.590 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445255 1029851490 /nfs/dbraw/zinc/85/14/90/1029851490.db2.gz GTJKWZMDWWIIDA-MCIONIFRSA-N 1 2 336.505 3.637 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445255 1029851495 /nfs/dbraw/zinc/85/14/95/1029851495.db2.gz GTJKWZMDWWIIDA-MCIONIFRSA-N 1 2 336.505 3.637 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486121 1029898791 /nfs/dbraw/zinc/89/87/91/1029898791.db2.gz AQIGKJDNRCBJOL-QKKBWIMNSA-N 1 2 348.402 3.999 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486121 1029898805 /nfs/dbraw/zinc/89/88/05/1029898805.db2.gz AQIGKJDNRCBJOL-QKKBWIMNSA-N 1 2 348.402 3.999 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C2(OC)CCCCC2)no1)c1ccccc1 ZINC000453225721 1029944917 /nfs/dbraw/zinc/94/49/17/1029944917.db2.gz BLYQFVSGLJYSNM-MRXNPFEDSA-N 1 2 329.444 3.917 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C2(OC)CCCCC2)no1)c1ccccc1 ZINC000453225721 1029944930 /nfs/dbraw/zinc/94/49/30/1029944930.db2.gz BLYQFVSGLJYSNM-MRXNPFEDSA-N 1 2 329.444 3.917 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCCc4ccccc4C3)no2)c(F)c1 ZINC000481784025 1029956996 /nfs/dbraw/zinc/95/69/96/1029956996.db2.gz PIOLBDFOPKFBQP-UHFFFAOYSA-N 1 2 341.361 3.963 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCCc4ccccc4C3)no2)c(F)c1 ZINC000481784025 1029957006 /nfs/dbraw/zinc/95/70/06/1029957006.db2.gz PIOLBDFOPKFBQP-UHFFFAOYSA-N 1 2 341.361 3.963 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)CCC[C@H]3C)cn2c1 ZINC000525618224 1029973083 /nfs/dbraw/zinc/97/30/83/1029973083.db2.gz PKNGPGQZRFIAPK-GDBMZVCRSA-N 1 2 345.512 3.913 20 0 EHADLO O=C(c1cccc(-c2ccoc2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000089776678 1029989415 /nfs/dbraw/zinc/98/94/15/1029989415.db2.gz GTCSNVYGXRZLQU-IBGZPJMESA-N 1 2 334.375 3.635 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000453291893 1030038514 /nfs/dbraw/zinc/03/85/14/1030038514.db2.gz OGPIOBUPACTFJM-CQSZACIVSA-N 1 2 334.851 3.893 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2ncc(C)s2)cs1 ZINC000157757403 1030048349 /nfs/dbraw/zinc/04/83/49/1030048349.db2.gz KETMQXQTGHBJTC-GFCCVEGCSA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2ncc(C)s2)cs1 ZINC000157757403 1030048362 /nfs/dbraw/zinc/04/83/62/1030048362.db2.gz KETMQXQTGHBJTC-GFCCVEGCSA-N 1 2 325.503 3.680 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)s1 ZINC000453299834 1030051443 /nfs/dbraw/zinc/05/14/43/1030051443.db2.gz KVZYIQRNNHTZQB-QMMMGPOBSA-N 1 2 330.379 3.674 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000156880155 1030088710 /nfs/dbraw/zinc/08/87/10/1030088710.db2.gz OMRXXTKOARNHRP-YJBOKZPZSA-N 1 2 330.472 3.592 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)n1 ZINC000453315980 1030093675 /nfs/dbraw/zinc/09/36/75/1030093675.db2.gz HFRGPFGSDZNXQM-ZDUSSCGKSA-N 1 2 345.752 3.749 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nn(C)cc1Cl)CCCS2 ZINC000453318505 1030094619 /nfs/dbraw/zinc/09/46/19/1030094619.db2.gz MEAVIHNGDHABOG-AWEZNQCLSA-N 1 2 337.876 3.799 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1Cl)CCCS2 ZINC000453318506 1030095836 /nfs/dbraw/zinc/09/58/36/1030095836.db2.gz MEAVIHNGDHABOG-CQSZACIVSA-N 1 2 337.876 3.799 20 0 EHADLO O=C([C@@H](c1ccccc1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000120805258 1030109268 /nfs/dbraw/zinc/10/92/68/1030109268.db2.gz QXFQMPQWPPIGGG-IBGZPJMESA-N 1 2 340.492 3.586 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000525782719 1030118913 /nfs/dbraw/zinc/11/89/13/1030118913.db2.gz BMNQHQNBBVYLBG-IRXDYDNUSA-N 1 2 342.458 3.874 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000525782719 1030118918 /nfs/dbraw/zinc/11/89/18/1030118918.db2.gz BMNQHQNBBVYLBG-IRXDYDNUSA-N 1 2 342.458 3.874 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cnc(C)cc2C)nnn1-c1ccc(C)cc1 ZINC000453339116 1030124195 /nfs/dbraw/zinc/12/41/95/1030124195.db2.gz BIONJRYBJVXCFJ-INIZCTEOSA-N 1 2 335.455 3.747 20 0 EHADLO CCCOc1cc(C)ccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000447380513 1030149207 /nfs/dbraw/zinc/14/92/07/1030149207.db2.gz DYIFYWAHKCJZIJ-FQEVSTJZSA-N 1 2 340.467 3.703 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000453367912 1030185925 /nfs/dbraw/zinc/18/59/25/1030185925.db2.gz PAWJTWZJKHYVGP-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)n1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000657773926 1030269619 /nfs/dbraw/zinc/26/96/19/1030269619.db2.gz WHSOVORKUCDTQY-CQSZACIVSA-N 1 2 328.243 3.594 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000154116163 1030279264 /nfs/dbraw/zinc/27/92/64/1030279264.db2.gz WHVUGZMNOWQHKU-SJLPKXTDSA-N 1 2 332.492 3.836 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000650729127 1030281289 /nfs/dbraw/zinc/28/12/89/1030281289.db2.gz CAWNWVVBZSJCKF-UHFFFAOYSA-N 1 2 325.412 3.685 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2nc(C(C)C)cs2)c1 ZINC000482241155 1030281384 /nfs/dbraw/zinc/28/13/84/1030281384.db2.gz HYOTWFIEFQGNNI-UHFFFAOYSA-N 1 2 338.860 3.996 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000121498573 1030282884 /nfs/dbraw/zinc/28/28/84/1030282884.db2.gz ZXSKXWAOXQNDPX-HNNXBMFYSA-N 1 2 327.428 3.939 20 0 EHADLO Brc1ccccc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000059639415 1030293495 /nfs/dbraw/zinc/29/34/95/1030293495.db2.gz GWXFZEDZKYAAOJ-UHFFFAOYSA-N 1 2 342.240 3.925 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091888172 1030331831 /nfs/dbraw/zinc/33/18/31/1030331831.db2.gz PGMQPPGUMKVLMZ-ZDUSSCGKSA-N 1 2 345.418 3.828 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc2cc[nH]c21 ZINC000526017814 1030333195 /nfs/dbraw/zinc/33/31/95/1030333195.db2.gz YCUMEIZXUXZOCA-UHFFFAOYSA-N 1 2 340.333 3.743 20 0 EHADLO CSc1ccc(C)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343338098 1030370201 /nfs/dbraw/zinc/37/02/01/1030370201.db2.gz QVQVOZDCOWMEMA-UHFFFAOYSA-N 1 2 338.436 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000429719261 1030377533 /nfs/dbraw/zinc/37/75/33/1030377533.db2.gz UGJACJPQYYHDDQ-INIZCTEOSA-N 1 2 339.395 3.670 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000429719261 1030377550 /nfs/dbraw/zinc/37/75/50/1030377550.db2.gz UGJACJPQYYHDDQ-INIZCTEOSA-N 1 2 339.395 3.670 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000509658557 1030382013 /nfs/dbraw/zinc/38/20/13/1030382013.db2.gz OVHGOSCSNZAUSH-OAHLLOKOSA-N 1 2 325.518 3.629 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000509658557 1030382028 /nfs/dbraw/zinc/38/20/28/1030382028.db2.gz OVHGOSCSNZAUSH-OAHLLOKOSA-N 1 2 325.518 3.629 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000668037765 1030400582 /nfs/dbraw/zinc/40/05/82/1030400582.db2.gz DCOVOTGZUZSYOI-DOTOQJQBSA-N 1 2 326.444 3.554 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000668042528 1030403701 /nfs/dbraw/zinc/40/37/01/1030403701.db2.gz WKOSZFQISCYQLY-SECBINFHSA-N 1 2 329.288 3.602 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000668042528 1030403708 /nfs/dbraw/zinc/40/37/08/1030403708.db2.gz WKOSZFQISCYQLY-SECBINFHSA-N 1 2 329.288 3.602 20 0 EHADLO Clc1cccc2c1OCCN2Cc1c[nH+]cn1Cc1ccccc1 ZINC000526083777 1030406612 /nfs/dbraw/zinc/40/66/12/1030406612.db2.gz ZYANOTHIRPYLKW-UHFFFAOYSA-N 1 2 339.826 3.984 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCCOC2)O1 ZINC000482447749 1030425511 /nfs/dbraw/zinc/42/55/11/1030425511.db2.gz FDZULDMWDKRBSB-OAHLLOKOSA-N 1 2 349.418 3.927 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCCOC2)O1 ZINC000482447749 1030425521 /nfs/dbraw/zinc/42/55/21/1030425521.db2.gz FDZULDMWDKRBSB-OAHLLOKOSA-N 1 2 349.418 3.927 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343347842 1030426393 /nfs/dbraw/zinc/42/63/93/1030426393.db2.gz VNNYRGPJJNKMDE-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1cc(NC(=O)NCc2cc(Br)ccc2C)c(C)c[nH+]1 ZINC000526183853 1030442268 /nfs/dbraw/zinc/44/22/68/1030442268.db2.gz IESYWJFWDICHQA-UHFFFAOYSA-N 1 2 348.244 3.513 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000668053258 1030453382 /nfs/dbraw/zinc/45/33/82/1030453382.db2.gz OVLMIRBNTCVVFA-NSHDSACASA-N 1 2 343.315 3.849 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000668053258 1030453393 /nfs/dbraw/zinc/45/33/93/1030453393.db2.gz OVLMIRBNTCVVFA-NSHDSACASA-N 1 2 343.315 3.849 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3c(C4CCC4)cnn3C)CCO2)cc1 ZINC000668054203 1030455526 /nfs/dbraw/zinc/45/55/26/1030455526.db2.gz OJQRPNZLLJRXPD-NRFANRHFSA-N 1 2 339.483 3.824 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3c(C4CCC4)cnn3C)CCO2)cc1 ZINC000668054203 1030455540 /nfs/dbraw/zinc/45/55/40/1030455540.db2.gz OJQRPNZLLJRXPD-NRFANRHFSA-N 1 2 339.483 3.824 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532198599 1030473775 /nfs/dbraw/zinc/47/37/75/1030473775.db2.gz DCLSMQITQIIXGD-LIRRHRJNSA-N 1 2 335.407 3.589 20 0 EHADLO CC[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc2c(c1)OCO2 ZINC000447797997 1030480884 /nfs/dbraw/zinc/48/08/84/1030480884.db2.gz QAWWUFNGJUDWKL-UHFFFAOYSA-N 1 2 344.358 3.913 20 0 EHADLO CC[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc2c(c1)OCO2 ZINC000447797997 1030480891 /nfs/dbraw/zinc/48/08/91/1030480891.db2.gz QAWWUFNGJUDWKL-UHFFFAOYSA-N 1 2 344.358 3.913 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1c(F)cccc1F ZINC000550843531 1030499948 /nfs/dbraw/zinc/49/99/48/1030499948.db2.gz TZVDBHHYISFVJA-HNNXBMFYSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1c(F)cccc1F ZINC000550843531 1030499950 /nfs/dbraw/zinc/49/99/50/1030499950.db2.gz TZVDBHHYISFVJA-HNNXBMFYSA-N 1 2 348.368 3.750 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000526953181 1030500997 /nfs/dbraw/zinc/50/09/97/1030500997.db2.gz KBLJRUSEWKFHGS-AWEZNQCLSA-N 1 2 342.468 3.938 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000526954304 1030503776 /nfs/dbraw/zinc/50/37/76/1030503776.db2.gz QENWWNCRRCLUQP-QWRGUYRKSA-N 1 2 325.334 3.722 20 0 EHADLO CC(C)(C)NC(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000482535931 1030515998 /nfs/dbraw/zinc/51/59/98/1030515998.db2.gz XTFZOLQCEWXDKJ-UHFFFAOYSA-N 1 2 337.533 3.671 20 0 EHADLO CCS(=O)(=O)C1CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC000668071022 1030520111 /nfs/dbraw/zinc/52/01/11/1030520111.db2.gz DJTDBQYCIZAVCR-UHFFFAOYSA-N 1 2 335.513 3.743 20 0 EHADLO CSc1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000157434101 1030532104 /nfs/dbraw/zinc/53/21/04/1030532104.db2.gz ZETBUUTWGNGTCB-HNNXBMFYSA-N 1 2 342.468 3.594 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000447853972 1030545377 /nfs/dbraw/zinc/54/53/77/1030545377.db2.gz JNGVTPMXZHRHOM-SFHVURJKSA-N 1 2 328.460 3.814 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000447853972 1030545379 /nfs/dbraw/zinc/54/53/79/1030545379.db2.gz JNGVTPMXZHRHOM-SFHVURJKSA-N 1 2 328.460 3.814 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000925255734 1030555386 /nfs/dbraw/zinc/55/53/86/1030555386.db2.gz YACCAPABMQRBOM-ZDUSSCGKSA-N 1 2 335.398 3.980 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000066437914 1030573269 /nfs/dbraw/zinc/57/32/69/1030573269.db2.gz YNTHPZVLAWKGDX-CYBMUJFWSA-N 1 2 336.785 3.792 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000066437914 1030573287 /nfs/dbraw/zinc/57/32/87/1030573287.db2.gz YNTHPZVLAWKGDX-CYBMUJFWSA-N 1 2 336.785 3.792 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093227730 1030577413 /nfs/dbraw/zinc/57/74/13/1030577413.db2.gz IJQPEQJUYOMTDR-UONOGXRCSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093227730 1030577421 /nfs/dbraw/zinc/57/74/21/1030577421.db2.gz IJQPEQJUYOMTDR-UONOGXRCSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1cc2n(n1)CCCC2 ZINC000647306072 1030579010 /nfs/dbraw/zinc/57/90/10/1030579010.db2.gz UJTRWFFAHBRWHI-YGRLFVJLSA-N 1 2 335.373 3.975 20 0 EHADLO O=C(c1ccc(Nc2cccnc2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090508 1030586061 /nfs/dbraw/zinc/58/60/61/1030586061.db2.gz MLEYXDLWLXLBRA-MRXNPFEDSA-N 1 2 347.422 3.568 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)nc2ccccc21 ZINC000093363920 1030591513 /nfs/dbraw/zinc/59/15/13/1030591513.db2.gz GDZUMJPDGJSVLD-UHFFFAOYSA-N 1 2 345.393 3.849 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc(OCC(F)F)cc2)nc2ccccc21 ZINC000093363920 1030591516 /nfs/dbraw/zinc/59/15/16/1030591516.db2.gz GDZUMJPDGJSVLD-UHFFFAOYSA-N 1 2 345.393 3.849 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000093478404 1030616524 /nfs/dbraw/zinc/61/65/24/1030616524.db2.gz ZBYMZMIFSWREPM-FQEVSTJZSA-N 1 2 337.467 3.564 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000093478404 1030616528 /nfs/dbraw/zinc/61/65/28/1030616528.db2.gz ZBYMZMIFSWREPM-FQEVSTJZSA-N 1 2 337.467 3.564 20 0 EHADLO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1cscn1 ZINC000157642137 1030717049 /nfs/dbraw/zinc/71/70/49/1030717049.db2.gz RGVJHOQXPCHENH-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1cscn1 ZINC000157642137 1030717067 /nfs/dbraw/zinc/71/70/67/1030717067.db2.gz RGVJHOQXPCHENH-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccsc3)CC2)s1 ZINC000157652396 1030735055 /nfs/dbraw/zinc/73/50/55/1030735055.db2.gz KVIPRKQVQOITHV-UHFFFAOYSA-N 1 2 335.498 3.722 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cncc3ccccc31)C2 ZINC000527251993 1030739519 /nfs/dbraw/zinc/73/95/19/1030739519.db2.gz LDARPDAIPURFHY-ZDUSSCGKSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cncc3ccccc31)CC2 ZINC000527251993 1030739534 /nfs/dbraw/zinc/73/95/34/1030739534.db2.gz LDARPDAIPURFHY-ZDUSSCGKSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476643966 1030759902 /nfs/dbraw/zinc/75/99/02/1030759902.db2.gz QCTADUQESUKEPC-QUIPCFFLSA-N 1 2 336.426 3.508 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476643966 1030759943 /nfs/dbraw/zinc/75/99/43/1030759943.db2.gz QCTADUQESUKEPC-QUIPCFFLSA-N 1 2 336.426 3.508 20 0 EHADLO COc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000171065040 1030761653 /nfs/dbraw/zinc/76/16/53/1030761653.db2.gz OLYYKGBIGYIBCA-UHFFFAOYSA-N 1 2 335.407 3.522 20 0 EHADLO C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000550885960 1030762988 /nfs/dbraw/zinc/76/29/88/1030762988.db2.gz ACUXDJJQUCMHLV-SJLPKXTDSA-N 1 2 338.455 3.805 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCCO2)c(C)n1Cc1cccs1 ZINC000171669615 1030774099 /nfs/dbraw/zinc/77/40/99/1030774099.db2.gz SBUSXTBXPUXWJL-MRXNPFEDSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCCO2)c(C)n1Cc1cccs1 ZINC000171669615 1030774111 /nfs/dbraw/zinc/77/41/11/1030774111.db2.gz SBUSXTBXPUXWJL-MRXNPFEDSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)NC2CCCCC2)c2ccccn2)cc1 ZINC000527318409 1030789391 /nfs/dbraw/zinc/78/93/91/1030789391.db2.gz CMTDDVLONGQKEO-NRFANRHFSA-N 1 2 337.467 3.518 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000527324731 1030795211 /nfs/dbraw/zinc/79/52/11/1030795211.db2.gz LVNUNZCJPQDUSF-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000527324731 1030795232 /nfs/dbraw/zinc/79/52/32/1030795232.db2.gz LVNUNZCJPQDUSF-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO O=c1[nH]c(C[NH2+][C@@H](c2cccnc2)C2CC2)nc2cc(Cl)ccc21 ZINC000527326121 1030796758 /nfs/dbraw/zinc/79/67/58/1030796758.db2.gz DETQCBXISOTQDI-QGZVFWFLSA-N 1 2 340.814 3.625 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)ccc1Cl ZINC000171827067 1030822018 /nfs/dbraw/zinc/82/20/18/1030822018.db2.gz DRFAFYPURFAWRE-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Br)ccc1Cl ZINC000171827067 1030822038 /nfs/dbraw/zinc/82/20/38/1030822038.db2.gz DRFAFYPURFAWRE-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000115558076 1030882488 /nfs/dbraw/zinc/88/24/88/1030882488.db2.gz NFKCSSMVMNQPGZ-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000115600087 1030886024 /nfs/dbraw/zinc/88/60/24/1030886024.db2.gz LXCYOJNVIFWMHX-ZFWWWQNUSA-N 1 2 329.469 3.552 20 0 EHADLO Cc1cc([C@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c(C)s1 ZINC000635251848 1030892412 /nfs/dbraw/zinc/89/24/12/1030892412.db2.gz BFUDTDOBZHEDNC-GWCFXTLKSA-N 1 2 345.390 3.932 20 0 EHADLO O[C@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C(F)(F)F ZINC000157895333 1030931210 /nfs/dbraw/zinc/93/12/10/1030931210.db2.gz XOKQURXTVYKWSZ-OAHLLOKOSA-N 1 2 335.329 3.572 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc(C(C)(C)C)co1)c1cccc(Cl)c1 ZINC000568179700 1030935837 /nfs/dbraw/zinc/93/58/37/1030935837.db2.gz YRLUPRNVRGTAEM-AWEZNQCLSA-N 1 2 335.835 3.867 20 0 EHADLO CN(C)C(=O)CCC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000568180862 1030944939 /nfs/dbraw/zinc/94/49/39/1030944939.db2.gz DPIQDUSYIZZHCG-MRXNPFEDSA-N 1 2 348.878 3.612 20 0 EHADLO CN(C)C(=O)CCC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000568180862 1030944948 /nfs/dbraw/zinc/94/49/48/1030944948.db2.gz DPIQDUSYIZZHCG-MRXNPFEDSA-N 1 2 348.878 3.612 20 0 EHADLO Cc1cccn2c(CN(CCC(F)(F)F)CC(F)(F)F)c[nH+]c12 ZINC000448359416 1030980563 /nfs/dbraw/zinc/98/05/63/1030980563.db2.gz MEGGXFOTVJEMGL-UHFFFAOYSA-N 1 2 339.283 3.959 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370985 1031003518 /nfs/dbraw/zinc/00/35/18/1031003518.db2.gz LNAKVNLJTCFXMT-HSMVNMDESA-N 1 2 347.352 3.613 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370985 1031003537 /nfs/dbraw/zinc/00/35/37/1031003537.db2.gz LNAKVNLJTCFXMT-HSMVNMDESA-N 1 2 347.352 3.613 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000123228608 1031018030 /nfs/dbraw/zinc/01/80/30/1031018030.db2.gz ORCGQPKRLTXLMV-SNVBAGLBSA-N 1 2 342.226 3.921 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000123228608 1031018055 /nfs/dbraw/zinc/01/80/55/1031018055.db2.gz ORCGQPKRLTXLMV-SNVBAGLBSA-N 1 2 342.226 3.921 20 0 EHADLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c(C)c1OC ZINC000583898748 1031076857 /nfs/dbraw/zinc/07/68/57/1031076857.db2.gz KEUNQELXQMQOHI-UHFFFAOYSA-N 1 2 337.460 3.564 20 0 EHADLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c(C)c1OC ZINC000583898748 1031076871 /nfs/dbraw/zinc/07/68/71/1031076871.db2.gz KEUNQELXQMQOHI-UHFFFAOYSA-N 1 2 337.460 3.564 20 0 EHADLO C[C@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483377991 1031135250 /nfs/dbraw/zinc/13/52/50/1031135250.db2.gz DQWWKTOYTBRBDK-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483377991 1031135258 /nfs/dbraw/zinc/13/52/58/1031135258.db2.gz DQWWKTOYTBRBDK-SUMWQHHRSA-N 1 2 344.282 3.806 20 0 EHADLO CCOc1cc(CNc2ccc(N3CCCC3)[nH+]c2)c(F)cc1OC ZINC000527681330 1031145821 /nfs/dbraw/zinc/14/58/21/1031145821.db2.gz OGIBDNJAKAYITF-UHFFFAOYSA-N 1 2 345.418 3.840 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC4CCC3CC4)cn2c1 ZINC000483423171 1031158348 /nfs/dbraw/zinc/15/83/48/1031158348.db2.gz XUWAWSVKXKSWOM-VMBOVVBDSA-N 1 2 343.496 3.571 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000174074347 1031163777 /nfs/dbraw/zinc/16/37/77/1031163777.db2.gz BXVDCDNSIGSFHD-CRAIPNDOSA-N 1 2 347.418 3.798 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000314894606 1031171534 /nfs/dbraw/zinc/17/15/34/1031171534.db2.gz BSZUKBGZALWTTF-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2ncc(Cl)cc2Br)cn1 ZINC000527716424 1031174874 /nfs/dbraw/zinc/17/48/74/1031174874.db2.gz MBVIJKBSOOUIIH-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO Cc1[nH]c(CN[C@@H](C)c2cc(F)c(Br)cc2F)[nH+]c1C ZINC000527752739 1031209255 /nfs/dbraw/zinc/20/92/55/1031209255.db2.gz PECLEFIFDSXGDZ-VIFPVBQESA-N 1 2 344.203 3.918 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)Cc2cccc(F)c2)o1 ZINC000158326726 1031259489 /nfs/dbraw/zinc/25/94/89/1031259489.db2.gz FCZHXLGBUIDKQI-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000158326726 1031259501 /nfs/dbraw/zinc/25/95/01/1031259501.db2.gz FCZHXLGBUIDKQI-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)no2)c1 ZINC000583975388 1031274598 /nfs/dbraw/zinc/27/45/98/1031274598.db2.gz UCAGXVXYVGMNGK-GOSISDBHSA-N 1 2 334.423 3.949 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)no2)c1 ZINC000583975388 1031274607 /nfs/dbraw/zinc/27/46/07/1031274607.db2.gz UCAGXVXYVGMNGK-GOSISDBHSA-N 1 2 334.423 3.949 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000315190356 1031297799 /nfs/dbraw/zinc/29/77/99/1031297799.db2.gz PJINQIUDYVVHIW-RYUDHWBXSA-N 1 2 334.441 3.740 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)cc(NCC(F)(F)F)c1)n1cc[nH+]c1 ZINC000583998826 1031359307 /nfs/dbraw/zinc/35/93/07/1031359307.db2.gz LUUBFNQJNZJHRT-SNVBAGLBSA-N 1 2 344.312 3.586 20 0 EHADLO O=C(CC1CCCC1)NC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527888024 1031379772 /nfs/dbraw/zinc/37/97/72/1031379772.db2.gz PJFAIGHLBPIMJB-UHFFFAOYSA-N 1 2 337.467 3.900 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H]1C ZINC000448639938 1031410039 /nfs/dbraw/zinc/41/00/39/1031410039.db2.gz SJYROAZHHYGESZ-ZIFCJYIRSA-N 1 2 339.483 3.662 20 0 EHADLO CCn1ncc(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000527922064 1031413078 /nfs/dbraw/zinc/41/30/78/1031413078.db2.gz SZAFMYLLGWTLIR-KRWDZBQOSA-N 1 2 326.444 3.614 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000448680794 1031414114 /nfs/dbraw/zinc/41/41/14/1031414114.db2.gz LXKDCPHJQHKZFJ-GJYPPUQNSA-N 1 2 325.456 3.620 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(Cc2ccccc2)CC1 ZINC000176279157 1031420633 /nfs/dbraw/zinc/42/06/33/1031420633.db2.gz NDAHDZRDRJSKSO-UHFFFAOYSA-N 1 2 331.419 3.511 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccoc1 ZINC000102409234 1031448364 /nfs/dbraw/zinc/44/83/64/1031448364.db2.gz GTNDDNKZBYBJFZ-UHFFFAOYSA-N 1 2 337.217 3.503 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccoc1 ZINC000102409234 1031448373 /nfs/dbraw/zinc/44/83/73/1031448373.db2.gz GTNDDNKZBYBJFZ-UHFFFAOYSA-N 1 2 337.217 3.503 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)cc(F)c3)c2C1 ZINC000176702003 1031451608 /nfs/dbraw/zinc/45/16/08/1031451608.db2.gz DSLDXTKSKMZASL-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)cc(F)c3)c2C1 ZINC000176702003 1031451610 /nfs/dbraw/zinc/45/16/10/1031451610.db2.gz DSLDXTKSKMZASL-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000116978626 1031487643 /nfs/dbraw/zinc/48/76/43/1031487643.db2.gz WEDPQAMIIVUEQS-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000537704129 1031491183 /nfs/dbraw/zinc/49/11/83/1031491183.db2.gz ZSEIYRWJSNSZTO-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000537704129 1031491197 /nfs/dbraw/zinc/49/11/97/1031491197.db2.gz ZSEIYRWJSNSZTO-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000667002714 1031493246 /nfs/dbraw/zinc/49/32/46/1031493246.db2.gz WMVVMUJXOZUXBT-WMLDXEAASA-N 1 2 331.485 3.801 20 0 EHADLO c1csc([C@@H]([NH2+]CC2CCc3ccccc3CC2)c2nnc[nH]2)c1 ZINC000527932060 1031496083 /nfs/dbraw/zinc/49/60/83/1031496083.db2.gz QTARLVUUEWUQQW-GOSISDBHSA-N 1 2 338.480 3.740 20 0 EHADLO Cc1cccc(Cl)c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448725719 1031514979 /nfs/dbraw/zinc/51/49/79/1031514979.db2.gz MPHTYBXTTWANDU-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO O=C([C@H]1CC12CCN(c1[nH+]ccc3ccccc31)CC2)N1CCCCC1 ZINC000527957256 1031522225 /nfs/dbraw/zinc/52/22/25/1031522225.db2.gz SHXJWZKMCUMUGK-LJQANCHMSA-N 1 2 349.478 3.854 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1ccn(C)n1 ZINC000527984296 1031599631 /nfs/dbraw/zinc/59/96/31/1031599631.db2.gz FQPZREXFKJNQOV-LLVKDONJSA-N 1 2 344.203 3.702 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccc2ccsc21 ZINC000343610798 1031615786 /nfs/dbraw/zinc/61/57/86/1031615786.db2.gz ZNQMJSURYYKJLY-UHFFFAOYSA-N 1 2 325.437 3.918 20 0 EHADLO O=C(c1cc2sccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000532381695 1031625659 /nfs/dbraw/zinc/62/56/59/1031625659.db2.gz ZFEPDVUVKBQCEH-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO Cc1cccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc21 ZINC000904029646 1031635908 /nfs/dbraw/zinc/63/59/08/1031635908.db2.gz QLBQPRZWUMCYHE-CXAGYDPISA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc21 ZINC000904029646 1031635916 /nfs/dbraw/zinc/63/59/16/1031635916.db2.gz QLBQPRZWUMCYHE-CXAGYDPISA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc21 ZINC000904029657 1031636452 /nfs/dbraw/zinc/63/64/52/1031636452.db2.gz QLBQPRZWUMCYHE-SUMWQHHRSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc21 ZINC000904029657 1031636461 /nfs/dbraw/zinc/63/64/61/1031636461.db2.gz QLBQPRZWUMCYHE-SUMWQHHRSA-N 1 2 339.395 3.717 20 0 EHADLO c1ccc(C2CCC2)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000904029063 1031637210 /nfs/dbraw/zinc/63/72/10/1031637210.db2.gz LOMOHVJYDNJJAR-MAUKXSAKSA-N 1 2 339.439 3.930 20 0 EHADLO c1ccc(C2CCC2)c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000904029063 1031637220 /nfs/dbraw/zinc/63/72/20/1031637220.db2.gz LOMOHVJYDNJJAR-MAUKXSAKSA-N 1 2 339.439 3.930 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c2ccoc21 ZINC000904030630 1031637291 /nfs/dbraw/zinc/63/72/91/1031637291.db2.gz WQPYEVHMBZHKBU-IAQYHMDHSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c2ccoc21 ZINC000904030630 1031637299 /nfs/dbraw/zinc/63/72/99/1031637299.db2.gz WQPYEVHMBZHKBU-IAQYHMDHSA-N 1 2 343.358 3.548 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)n1 ZINC000178223003 1031643924 /nfs/dbraw/zinc/64/39/24/1031643924.db2.gz FCFPAAAIIVFAJS-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1ccc(Cl)cc1Cl ZINC000178397363 1031692694 /nfs/dbraw/zinc/69/26/94/1031692694.db2.gz WEZJSCRVZVNIPM-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2Br)c1 ZINC000278629049 1031722810 /nfs/dbraw/zinc/72/28/10/1031722810.db2.gz GRVLBDGBWYZPQE-SNVBAGLBSA-N 1 2 338.201 3.680 20 0 EHADLO CN(Cc1ccccc1Cl)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117573201 1031756009 /nfs/dbraw/zinc/75/60/09/1031756009.db2.gz XGUUUXNZZGFGHS-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117589671 1031759440 /nfs/dbraw/zinc/75/94/40/1031759440.db2.gz NMSPEHXVKWMABR-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000528138044 1031760423 /nfs/dbraw/zinc/76/04/23/1031760423.db2.gz GUITUWFYFMLQIL-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000528138044 1031760432 /nfs/dbraw/zinc/76/04/32/1031760432.db2.gz GUITUWFYFMLQIL-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[C@@H]1C1CC1 ZINC000528139796 1031765745 /nfs/dbraw/zinc/76/57/45/1031765745.db2.gz MCQHJUVNYSSNEQ-VBNZEHGJSA-N 1 2 333.501 3.606 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)[nH]c(C)c1C(C)=O ZINC000085784433 1031766984 /nfs/dbraw/zinc/76/69/84/1031766984.db2.gz PAENUXNNZYHFQR-GOSISDBHSA-N 1 2 338.451 3.890 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)[nH]c(C)c1C(C)=O ZINC000085784433 1031766999 /nfs/dbraw/zinc/76/69/99/1031766999.db2.gz PAENUXNNZYHFQR-GOSISDBHSA-N 1 2 338.451 3.890 20 0 EHADLO CCO[C@H](c1noc(-c2ccn3c(C)c[nH+]c3c2)n1)C1CCCC1 ZINC000904139937 1031768566 /nfs/dbraw/zinc/76/85/66/1031768566.db2.gz XIMFQTUTRWQACB-INIZCTEOSA-N 1 2 326.400 3.961 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCC34CC4)n2)C1 ZINC000528140412 1031768898 /nfs/dbraw/zinc/76/88/98/1031768898.db2.gz PVFNDNGSKIVPGX-UKRRQHHQSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCC34CC4)n2)C1 ZINC000528140412 1031768906 /nfs/dbraw/zinc/76/89/06/1031768906.db2.gz PVFNDNGSKIVPGX-UKRRQHHQSA-N 1 2 333.501 3.894 20 0 EHADLO CCO[C@@H](c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)C1CCCC1 ZINC000904143918 1031788990 /nfs/dbraw/zinc/78/89/90/1031788990.db2.gz SVCHHRSDQPYBBZ-MRXNPFEDSA-N 1 2 339.399 3.585 20 0 EHADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000904150833 1031797927 /nfs/dbraw/zinc/79/79/27/1031797927.db2.gz VJRPPYWYPZEANL-CVEARBPZSA-N 1 2 330.453 3.649 20 0 EHADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000904150833 1031797942 /nfs/dbraw/zinc/79/79/42/1031797942.db2.gz VJRPPYWYPZEANL-CVEARBPZSA-N 1 2 330.453 3.649 20 0 EHADLO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C)n2)cc1 ZINC000484623834 1031815757 /nfs/dbraw/zinc/81/57/57/1031815757.db2.gz YHBBXUVUNGIKED-QZTJIDSGSA-N 1 2 345.443 3.647 20 0 EHADLO CCc1nn(C)c(Cl)c1CNc1[nH+]c2cc(F)ccc2n1CC ZINC000162056478 1031840262 /nfs/dbraw/zinc/84/02/62/1031840262.db2.gz WFUFNQJWDVYJFF-UHFFFAOYSA-N 1 2 335.814 3.757 20 0 EHADLO CCc1cc(N2CCOC[C@@H]2c2nc3ccccc3s2)nc(C)[nH+]1 ZINC000548821702 1031865451 /nfs/dbraw/zinc/86/54/51/1031865451.db2.gz WZUMVLWKKQTIHE-OAHLLOKOSA-N 1 2 340.452 3.535 20 0 EHADLO Cc1cc(C)c(C)c(OCCc2nc(-c3c[nH+]c(N)cc3C)no2)c1 ZINC000904272680 1031891477 /nfs/dbraw/zinc/89/14/77/1031891477.db2.gz WVKGEMSUEXDVTQ-UHFFFAOYSA-N 1 2 338.411 3.569 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C2(Cc3cccc(F)c3)CCC2)n1 ZINC000904268846 1031897584 /nfs/dbraw/zinc/89/75/84/1031897584.db2.gz KXPMGYABEDYOIY-UHFFFAOYSA-N 1 2 338.386 3.826 20 0 EHADLO CCc1noc(CC)c1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180739647 1031903959 /nfs/dbraw/zinc/90/39/59/1031903959.db2.gz FXKDCMOKBDDCHA-IBGZPJMESA-N 1 2 342.418 3.551 20 0 EHADLO O=C(Nc1ccccc1Nc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000180805338 1031952275 /nfs/dbraw/zinc/95/22/75/1031952275.db2.gz UVQNIAPLLVTXLJ-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO Cc1cc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)ccc1F ZINC000904400913 1032016370 /nfs/dbraw/zinc/01/63/70/1032016370.db2.gz MXICFTXWHWVKIN-UHFFFAOYSA-N 1 2 334.354 3.961 20 0 EHADLO CCn1nnc(C)c1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000449011567 1032022146 /nfs/dbraw/zinc/02/21/46/1032022146.db2.gz RFSHQFDRYVCESE-UHFFFAOYSA-N 1 2 338.377 3.790 20 0 EHADLO CCn1nnc(C)c1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000449011567 1032022161 /nfs/dbraw/zinc/02/21/61/1032022161.db2.gz RFSHQFDRYVCESE-UHFFFAOYSA-N 1 2 338.377 3.790 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459400572 1032040951 /nfs/dbraw/zinc/04/09/51/1032040951.db2.gz MRSHMBSYXGSBCY-HKUYNNGSSA-N 1 2 342.443 3.518 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)c1 ZINC000449007638 1032049209 /nfs/dbraw/zinc/04/92/09/1032049209.db2.gz MMNIDTIHZMJARB-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)c1 ZINC000449007638 1032049221 /nfs/dbraw/zinc/04/92/21/1032049221.db2.gz MMNIDTIHZMJARB-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO CCC(CC)(CC)S(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431585851 1033312351 /nfs/dbraw/zinc/31/23/51/1033312351.db2.gz HBXCNVOKNQNYKJ-UHFFFAOYSA-N 1 2 334.485 3.815 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000761057946 1033317516 /nfs/dbraw/zinc/31/75/16/1033317516.db2.gz RQXNMFIJMTZHNN-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000761057946 1033317526 /nfs/dbraw/zinc/31/75/26/1033317526.db2.gz RQXNMFIJMTZHNN-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO CCOc1ccccc1N1CC[NH+]([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929153044 1033403572 /nfs/dbraw/zinc/40/35/72/1033403572.db2.gz NLRBUGMPICRXHB-HNNXBMFYSA-N 1 2 329.419 3.503 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc(-c3ccccc3)nc2)o1 ZINC000608060513 1033455492 /nfs/dbraw/zinc/45/54/92/1033455492.db2.gz FMDQQAFOALCYMT-SFHVURJKSA-N 1 2 337.423 3.776 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000669673203 1033459228 /nfs/dbraw/zinc/45/92/28/1033459228.db2.gz QBIPICQWJBXYQQ-NVXWUHKLSA-N 1 2 329.488 3.752 20 0 EHADLO COc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000594584140 1033461309 /nfs/dbraw/zinc/46/13/09/1033461309.db2.gz OXYZVCPBCQSOFO-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1cc2cc(C(=O)NCC[NH+]3Cc4ccccc4C3)oc2cc1C ZINC000608118005 1033479097 /nfs/dbraw/zinc/47/90/97/1033479097.db2.gz GEZGMMCFKMOJJJ-UHFFFAOYSA-N 1 2 334.419 3.795 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635577449 1033479760 /nfs/dbraw/zinc/47/97/60/1033479760.db2.gz PNJJYUXOCLEFDL-BZUAXINKSA-N 1 2 337.448 3.675 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635577449 1033479768 /nfs/dbraw/zinc/47/97/68/1033479768.db2.gz PNJJYUXOCLEFDL-BZUAXINKSA-N 1 2 337.448 3.675 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608125854 1033484770 /nfs/dbraw/zinc/48/47/70/1033484770.db2.gz BCGQUEGVIVYCFB-HNNXBMFYSA-N 1 2 344.484 3.783 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc2[nH+]ccn21 ZINC000460332628 1033499766 /nfs/dbraw/zinc/49/97/66/1033499766.db2.gz DLSDIOHJCHKHOO-PMPSAXMXSA-N 1 2 329.444 3.750 20 0 EHADLO Cc1c(Br)cccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608133551 1033510321 /nfs/dbraw/zinc/51/03/21/1033510321.db2.gz NWOYPTCWZGXVJY-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO Cc1cccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608260147 1033552944 /nfs/dbraw/zinc/55/29/44/1033552944.db2.gz SMTQEDGDCNFIOD-GOSISDBHSA-N 1 2 334.423 3.834 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000574820906 1033573540 /nfs/dbraw/zinc/57/35/40/1033573540.db2.gz UJXZZMWTGVBHTM-UHFFFAOYSA-N 1 2 332.407 3.729 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000574820906 1033573549 /nfs/dbraw/zinc/57/35/49/1033573549.db2.gz UJXZZMWTGVBHTM-UHFFFAOYSA-N 1 2 332.407 3.729 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685587438 1033593602 /nfs/dbraw/zinc/59/36/02/1033593602.db2.gz HGLGTTSHXZITAY-DAXOMENPSA-N 1 2 336.863 3.556 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685587438 1033593610 /nfs/dbraw/zinc/59/36/10/1033593610.db2.gz HGLGTTSHXZITAY-DAXOMENPSA-N 1 2 336.863 3.556 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000685604897 1033613649 /nfs/dbraw/zinc/61/36/49/1033613649.db2.gz ZTPFWCFRHFGDGD-RBUKOAKNSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000685604897 1033613659 /nfs/dbraw/zinc/61/36/59/1033613659.db2.gz ZTPFWCFRHFGDGD-RBUKOAKNSA-N 1 2 341.430 3.545 20 0 EHADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000685609138 1033613937 /nfs/dbraw/zinc/61/39/37/1033613937.db2.gz AOIMDECKWWMNMH-XJKCOSOUSA-N 1 2 338.854 3.778 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000595066786 1033644927 /nfs/dbraw/zinc/64/49/27/1033644927.db2.gz BRHJGVQOGVKRRH-LLVKDONJSA-N 1 2 333.359 3.597 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608409715 1033697931 /nfs/dbraw/zinc/69/79/31/1033697931.db2.gz AHFFUXKHROTGQU-NJAFHUGGSA-N 1 2 340.471 3.582 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529284047 1033735293 /nfs/dbraw/zinc/73/52/93/1033735293.db2.gz BCUSTWGJWGEDLX-AWEZNQCLSA-N 1 2 344.846 3.963 20 0 EHADLO O=C([C@@H]1CCCC12CC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529272835 1033748315 /nfs/dbraw/zinc/74/83/15/1033748315.db2.gz PRQCJHDQMIMOTB-RDJZCZTQSA-N 1 2 327.472 3.506 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000574986977 1033750640 /nfs/dbraw/zinc/75/06/40/1033750640.db2.gz WEDOWLLXQLXQFP-OAHLLOKOSA-N 1 2 339.414 3.645 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000574986977 1033750659 /nfs/dbraw/zinc/75/06/59/1033750659.db2.gz WEDOWLLXQLXQFP-OAHLLOKOSA-N 1 2 339.414 3.645 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000450137651 1033803716 /nfs/dbraw/zinc/80/37/16/1033803716.db2.gz UDRHHQDDQPQYPT-RTBURBONSA-N 1 2 333.435 3.925 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000082345989 1033806188 /nfs/dbraw/zinc/80/61/88/1033806188.db2.gz VJZVJSFADVUXHR-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151196 1033813841 /nfs/dbraw/zinc/81/38/41/1033813841.db2.gz CKHPXLBSKUYKLF-DNVCBOLYSA-N 1 2 338.451 3.684 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151196 1033813857 /nfs/dbraw/zinc/81/38/57/1033813857.db2.gz CKHPXLBSKUYKLF-DNVCBOLYSA-N 1 2 338.451 3.684 20 0 EHADLO COCC[N@H+](Cc1noc2c1CCCC2)Cc1ccc(C)cc1C ZINC000595564165 1033843454 /nfs/dbraw/zinc/84/34/54/1033843454.db2.gz KILGPPDCQGOPLV-UHFFFAOYSA-N 1 2 328.456 3.819 20 0 EHADLO COCC[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(C)cc1C ZINC000595564165 1033843470 /nfs/dbraw/zinc/84/34/70/1033843470.db2.gz KILGPPDCQGOPLV-UHFFFAOYSA-N 1 2 328.456 3.819 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000120492961 1033855936 /nfs/dbraw/zinc/85/59/36/1033855936.db2.gz SGRDFJJPIMTDIL-QGZVFWFLSA-N 1 2 348.450 3.615 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000120492961 1033855949 /nfs/dbraw/zinc/85/59/49/1033855949.db2.gz SGRDFJJPIMTDIL-QGZVFWFLSA-N 1 2 348.450 3.615 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](C(C)(C)C)C[C@@H]3C)[nH+]c12 ZINC000575087085 1033870482 /nfs/dbraw/zinc/87/04/82/1033870482.db2.gz LQBAPRIWIXNJCO-JKSUJKDBSA-N 1 2 327.472 3.858 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](C(C)(C)C)C[C@H]3C)[nH+]c12 ZINC000575087084 1033870898 /nfs/dbraw/zinc/87/08/98/1033870898.db2.gz LQBAPRIWIXNJCO-HZPDHXFCSA-N 1 2 327.472 3.858 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000575192217 1033885561 /nfs/dbraw/zinc/88/55/61/1033885561.db2.gz KFQBYOAHYMGWHR-OAHLLOKOSA-N 1 2 348.516 3.560 20 0 EHADLO CCc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C ZINC000537600448 1033900225 /nfs/dbraw/zinc/90/02/25/1033900225.db2.gz BYCWLWMBBAXGAV-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000450212541 1033901036 /nfs/dbraw/zinc/90/10/36/1033901036.db2.gz SRUMNTVDGUFXEP-XUVXKRRUSA-N 1 2 349.478 3.751 20 0 EHADLO O=C(CCc1ccccc1Br)Nc1ccc2[nH+]ccn2c1 ZINC000603808520 1033939727 /nfs/dbraw/zinc/93/97/27/1033939727.db2.gz DRZVJJLWAKNORX-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808477 1033940698 /nfs/dbraw/zinc/94/06/98/1033940698.db2.gz ASNLGXBNWKSKBL-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cs1 ZINC000658107145 1033960799 /nfs/dbraw/zinc/96/07/99/1033960799.db2.gz OJVMHSUXPNHVLZ-OCCSQVGLSA-N 1 2 329.469 3.505 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000450239977 1033964404 /nfs/dbraw/zinc/96/44/04/1033964404.db2.gz FYFAKIMEUAXOPU-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000450239977 1033964421 /nfs/dbraw/zinc/96/44/21/1033964421.db2.gz FYFAKIMEUAXOPU-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(N)c(Cl)c1 ZINC001212112582 1033983981 /nfs/dbraw/zinc/98/39/81/1033983981.db2.gz KSMQLOBGWXISTG-UHFFFAOYSA-N 1 2 343.818 3.818 20 0 EHADLO c1n[nH]c([C@H]([NH2+]CCc2ccnc3ccccc23)C2CCCCC2)n1 ZINC000658128834 1033985744 /nfs/dbraw/zinc/98/57/44/1033985744.db2.gz JGNLPZQLYFBCOW-LJQANCHMSA-N 1 2 335.455 3.807 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000599529914 1033992077 /nfs/dbraw/zinc/99/20/77/1033992077.db2.gz FVTMDJXWOZQHEW-INIZCTEOSA-N 1 2 340.471 3.748 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000599529914 1033992090 /nfs/dbraw/zinc/99/20/90/1033992090.db2.gz FVTMDJXWOZQHEW-INIZCTEOSA-N 1 2 340.471 3.748 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000658156390 1034010693 /nfs/dbraw/zinc/01/06/93/1034010693.db2.gz JDQUJKZLYHCTJG-QGZVFWFLSA-N 1 2 334.851 3.626 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC000658158181 1034014148 /nfs/dbraw/zinc/01/41/48/1034014148.db2.gz HCMOPHKTODYOIW-AWEZNQCLSA-N 1 2 336.867 3.872 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc([C@@H](C)c3ccccc3)n[nH]2)c[nH+]1 ZINC000529467195 1034020435 /nfs/dbraw/zinc/02/04/35/1034020435.db2.gz NGDJVZHQUWWMIB-HNNXBMFYSA-N 1 2 334.423 3.503 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1nccs1 ZINC000529487477 1034033258 /nfs/dbraw/zinc/03/32/58/1034033258.db2.gz TXOUYZIADNFQMH-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1nccs1 ZINC000529487477 1034033269 /nfs/dbraw/zinc/03/32/69/1034033269.db2.gz TXOUYZIADNFQMH-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2nccs2)C2CC2)cc1 ZINC000118848206 1034037557 /nfs/dbraw/zinc/03/75/57/1034037557.db2.gz JMVYOKFKLPKZFG-KRWDZBQOSA-N 1 2 343.496 3.544 20 0 EHADLO CCn1cc(C[NH2+][C@@H](CC(C)C)c2cc(Cl)ccc2OC)nn1 ZINC000658176140 1034041013 /nfs/dbraw/zinc/04/10/13/1034041013.db2.gz LNHMHVISXYSWIY-INIZCTEOSA-N 1 2 336.867 3.837 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000603915138 1034041765 /nfs/dbraw/zinc/04/17/65/1034041765.db2.gz FQVYPFSZUIPLJP-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000171082340 1034053184 /nfs/dbraw/zinc/05/31/84/1034053184.db2.gz WQFGITGBQVHJDJ-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000171082340 1034053197 /nfs/dbraw/zinc/05/31/97/1034053197.db2.gz WQFGITGBQVHJDJ-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CC[C@@H]1c2ccccc2CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000603985034 1034103148 /nfs/dbraw/zinc/10/31/48/1034103148.db2.gz UFFJJBPUOLJWSM-OAQYLSRUSA-N 1 2 349.478 3.721 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521165 1034126014 /nfs/dbraw/zinc/12/60/14/1034126014.db2.gz SSSNCITVQGVPEL-WBMJQRKESA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521165 1034126026 /nfs/dbraw/zinc/12/60/26/1034126026.db2.gz SSSNCITVQGVPEL-WBMJQRKESA-N 1 2 349.887 3.638 20 0 EHADLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000450318912 1034127791 /nfs/dbraw/zinc/12/77/91/1034127791.db2.gz XKAQWDCBVDZSCC-GDBMZVCRSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000450318912 1034127797 /nfs/dbraw/zinc/12/77/97/1034127797.db2.gz XKAQWDCBVDZSCC-GDBMZVCRSA-N 1 2 336.407 3.510 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1(C)C ZINC000604033998 1034163425 /nfs/dbraw/zinc/16/34/25/1034163425.db2.gz BYSVBQMHBUXEGA-QXAKKESOSA-N 1 2 341.499 3.525 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCc3ccsc3C2)C2CC2)cc1 ZINC000534126102 1034167299 /nfs/dbraw/zinc/16/72/99/1034167299.db2.gz ASRGZXLJQGDBSE-FQEVSTJZSA-N 1 2 340.492 3.682 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCc3ccsc3C2)C2CC2)cc1 ZINC000534126102 1034167305 /nfs/dbraw/zinc/16/73/05/1034167305.db2.gz ASRGZXLJQGDBSE-FQEVSTJZSA-N 1 2 340.492 3.682 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]CCc2nsc3ccccc23)C2CCCCC2)n1 ZINC000658315886 1034192344 /nfs/dbraw/zinc/19/23/44/1034192344.db2.gz WWTIEYGLKFIDPN-KRWDZBQOSA-N 1 2 341.484 3.868 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626159789 1034201181 /nfs/dbraw/zinc/20/11/81/1034201181.db2.gz UPBLBGIXYXIWIG-ZDUSSCGKSA-N 1 2 348.796 3.849 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626159789 1034201191 /nfs/dbraw/zinc/20/11/91/1034201191.db2.gz UPBLBGIXYXIWIG-ZDUSSCGKSA-N 1 2 348.796 3.849 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)c(C)s2)C[C@@H]2CCCO2)c1 ZINC000088579936 1034207398 /nfs/dbraw/zinc/20/73/98/1034207398.db2.gz RSLDHOQWQFGJDY-SFHVURJKSA-N 1 2 346.496 3.950 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)c(C)s2)C[C@@H]2CCCO2)c1 ZINC000088579936 1034207412 /nfs/dbraw/zinc/20/74/12/1034207412.db2.gz RSLDHOQWQFGJDY-SFHVURJKSA-N 1 2 346.496 3.950 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000529565765 1034219802 /nfs/dbraw/zinc/21/98/02/1034219802.db2.gz VZKYJDJRSHNULZ-GOSISDBHSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(COC(C)C)c3)[nH+]c12 ZINC000586755608 1034354165 /nfs/dbraw/zinc/35/41/65/1034354165.db2.gz LBXJDVQPFFHEDE-UHFFFAOYSA-N 1 2 337.423 3.749 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C(C)(C)CO1 ZINC000604388187 1034358514 /nfs/dbraw/zinc/35/85/14/1034358514.db2.gz DKKBDNKDMMIZHZ-UHFFFAOYSA-N 1 2 325.836 3.501 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C(C)(C)CO1 ZINC000604388187 1034358529 /nfs/dbraw/zinc/35/85/29/1034358529.db2.gz DKKBDNKDMMIZHZ-UHFFFAOYSA-N 1 2 325.836 3.501 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456393544 1034395450 /nfs/dbraw/zinc/39/54/50/1034395450.db2.gz YBNKQXAAZGJTDI-RDJZCZTQSA-N 1 2 343.858 3.853 20 0 EHADLO COc1ccc([C@@H](NC(=O)Nc2cc(C)[nH+]cc2C)C(C)C)cc1 ZINC000534324202 1034397483 /nfs/dbraw/zinc/39/74/83/1034397483.db2.gz VVIRZPXFADABOG-SFHVURJKSA-N 1 2 327.428 3.648 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c(C)c[nH+]1 ZINC000534324361 1034398458 /nfs/dbraw/zinc/39/84/58/1034398458.db2.gz MYVFDTYDEDOFIP-SFHVURJKSA-N 1 2 327.403 3.922 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cscn1 ZINC000534328881 1034403570 /nfs/dbraw/zinc/40/35/70/1034403570.db2.gz QHPAHHGHXZUQMU-ZDUSSCGKSA-N 1 2 338.436 3.641 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H]1C ZINC000450538189 1034512991 /nfs/dbraw/zinc/51/29/91/1034512991.db2.gz FKJPQSJBODLBAG-ZIFCJYIRSA-N 1 2 331.504 3.974 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)C[C@H]3OCCc4ccccc43)o2)cc1 ZINC000548905489 1034541444 /nfs/dbraw/zinc/54/14/44/1034541444.db2.gz PHWBJABQYVULJO-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)C[C@H]3OCCc4ccccc43)o2)cc1 ZINC000548905489 1034541457 /nfs/dbraw/zinc/54/14/57/1034541457.db2.gz PHWBJABQYVULJO-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO COc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc12 ZINC000121203742 1034553772 /nfs/dbraw/zinc/55/37/72/1034553772.db2.gz HRRCKBAJXYDWEB-INIZCTEOSA-N 1 2 348.402 3.537 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000450623461 1034576877 /nfs/dbraw/zinc/57/68/77/1034576877.db2.gz QELIOGNKPQAHMV-CSMYWGQOSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000450623461 1034576883 /nfs/dbraw/zinc/57/68/83/1034576883.db2.gz QELIOGNKPQAHMV-CSMYWGQOSA-N 1 2 344.282 3.804 20 0 EHADLO CCc1ccc(CCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534520319 1034624238 /nfs/dbraw/zinc/62/42/38/1034624238.db2.gz ROVYXAAFIBKYGR-UHFFFAOYSA-N 1 2 342.508 3.588 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534520911 1034626797 /nfs/dbraw/zinc/62/67/97/1034626797.db2.gz BQYVSLZWYIHNLQ-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450668475 1034667943 /nfs/dbraw/zinc/66/79/43/1034667943.db2.gz ZMJONUVLUWYUNK-LLVKDONJSA-N 1 2 333.457 3.674 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](CC(C)C)c2ccccc2OC)n1 ZINC000450675383 1034701864 /nfs/dbraw/zinc/70/18/64/1034701864.db2.gz DAQLWUUSKLJQHU-AWEZNQCLSA-N 1 2 348.468 3.815 20 0 EHADLO CCn1c[nH+]cc1[C@@H]1CCCCN1c1nc(C2CC2)nc2[nH]ccc21 ZINC000631092321 1034725447 /nfs/dbraw/zinc/72/54/47/1034725447.db2.gz ZUMUHCBHAPAYTH-HNNXBMFYSA-N 1 2 336.443 3.783 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cn(CC4CC4)nn3)oc21 ZINC000450727638 1034733896 /nfs/dbraw/zinc/73/38/96/1034733896.db2.gz ZDKFNIAYWQIGOB-CYBMUJFWSA-N 1 2 340.427 3.684 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2cc(Br)ccc2C)c[nH+]1 ZINC000456848833 1034767504 /nfs/dbraw/zinc/76/75/04/1034767504.db2.gz UZCKVJGGFGFBAK-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](OC)[C@@H](C)C1 ZINC000450750850 1034769605 /nfs/dbraw/zinc/76/96/05/1034769605.db2.gz COLWMUBIVGMLTI-KBXCAEBGSA-N 1 2 342.439 3.581 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456836824 1034782615 /nfs/dbraw/zinc/78/26/15/1034782615.db2.gz BGMUGTBWIPBMDP-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456870632 1034804689 /nfs/dbraw/zinc/80/46/89/1034804689.db2.gz ZVGPUTJZKSASKD-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2cc(Cl)ccc2Cl)c[nH+]1 ZINC000456857841 1034815404 /nfs/dbraw/zinc/81/54/04/1034815404.db2.gz KVGIBQXCAAKKRG-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO COCC[C@@H](Nc1cc[nH+]c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000450809838 1034820140 /nfs/dbraw/zinc/82/01/40/1034820140.db2.gz XIZFEILJGWLMEX-CQSZACIVSA-N 1 2 325.334 3.994 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121319407 1034820569 /nfs/dbraw/zinc/82/05/69/1034820569.db2.gz QRPAZNJHYYOXPV-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121319407 1034820579 /nfs/dbraw/zinc/82/05/79/1034820579.db2.gz QRPAZNJHYYOXPV-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO CCCOc1cccc2c(N3CC[S@@](=O)C(C)(C)CC3)cc[nH+]c12 ZINC000450831467 1034838351 /nfs/dbraw/zinc/83/83/51/1034838351.db2.gz SFIBEBKVYKOAMI-XMMPIXPASA-N 1 2 346.496 3.761 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cncc(OC)c2C)c2ccco2)cc1 ZINC000631154381 1034850452 /nfs/dbraw/zinc/85/04/52/1034850452.db2.gz JSMPNTKYYBUOPH-HXUWFJFHSA-N 1 2 338.407 3.879 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1csnn1 ZINC000450843093 1034853473 /nfs/dbraw/zinc/85/34/73/1034853473.db2.gz HQFLPNZERVHYQZ-PELMWDNLSA-N 1 2 327.812 3.511 20 0 EHADLO C[C@H]1CC(F)(F)CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000530009266 1034857020 /nfs/dbraw/zinc/85/70/20/1034857020.db2.gz JZZZTOIEOSAOPR-DZGCQCFKSA-N 1 2 333.382 3.578 20 0 EHADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000303299919 1034867734 /nfs/dbraw/zinc/86/77/34/1034867734.db2.gz IJLSIQGOYDJCKF-UHFFFAOYSA-N 1 2 346.906 3.609 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000659968876 1034882439 /nfs/dbraw/zinc/88/24/39/1034882439.db2.gz CURIYJSONYFAFS-PHIMTYICSA-N 1 2 349.278 3.802 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000659968876 1034882450 /nfs/dbraw/zinc/88/24/50/1034882450.db2.gz CURIYJSONYFAFS-PHIMTYICSA-N 1 2 349.278 3.802 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccco1)c1ccc(Cl)cc1Cl ZINC000008197888 1034900577 /nfs/dbraw/zinc/90/05/77/1034900577.db2.gz FRJVXHIQHKMQEV-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1ccc(Cl)cc1Cl ZINC000008197888 1034900581 /nfs/dbraw/zinc/90/05/81/1034900581.db2.gz FRJVXHIQHKMQEV-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO O[C@H]([C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1)C(F)(F)F ZINC000450886132 1034914764 /nfs/dbraw/zinc/91/47/64/1034914764.db2.gz VVWVQRYKUVBGEH-RMLUDKJBSA-N 1 2 348.727 3.777 20 0 EHADLO O=C1N=NC(C2CC[NH+](Cc3cc(Cl)sc3Cl)CC2)O1 ZINC000450926931 1034952427 /nfs/dbraw/zinc/95/24/27/1034952427.db2.gz NSNLDJODLHTLRW-UHFFFAOYSA-N 1 2 334.228 3.523 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000152889951 1034972202 /nfs/dbraw/zinc/97/22/02/1034972202.db2.gz MYSCYOXIBYEJPN-BEFAXECRSA-N 1 2 340.471 3.601 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000375941647 1034978131 /nfs/dbraw/zinc/97/81/31/1034978131.db2.gz MAVZZDJRTBQGFF-IGDKPHCXSA-N 1 2 341.499 3.733 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933831 1034980082 /nfs/dbraw/zinc/98/00/82/1034980082.db2.gz JTXYQIHXRLOMFW-CABCVRRESA-N 1 2 341.373 3.955 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933831 1034980088 /nfs/dbraw/zinc/98/00/88/1034980088.db2.gz JTXYQIHXRLOMFW-CABCVRRESA-N 1 2 341.373 3.955 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451021072 1035018280 /nfs/dbraw/zinc/01/82/80/1035018280.db2.gz BAYZRSFHVLGIJE-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451021072 1035018286 /nfs/dbraw/zinc/01/82/86/1035018286.db2.gz BAYZRSFHVLGIJE-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)n1 ZINC000451001676 1035021506 /nfs/dbraw/zinc/02/15/06/1035021506.db2.gz QNNFMGZDWMJKNU-UHFFFAOYSA-N 1 2 332.879 3.830 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)n1 ZINC000451001676 1035021513 /nfs/dbraw/zinc/02/15/13/1035021513.db2.gz QNNFMGZDWMJKNU-UHFFFAOYSA-N 1 2 332.879 3.830 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1Cl ZINC000451007639 1035025211 /nfs/dbraw/zinc/02/52/11/1035025211.db2.gz VAMQXAFTRJTFSW-HNNXBMFYSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1Cl ZINC000451007639 1035025221 /nfs/dbraw/zinc/02/52/21/1035025221.db2.gz VAMQXAFTRJTFSW-HNNXBMFYSA-N 1 2 329.831 3.553 20 0 EHADLO Cc1cnn(CC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451015791 1035033504 /nfs/dbraw/zinc/03/35/04/1035033504.db2.gz KRKRDGCOIPFUBI-INIZCTEOSA-N 1 2 329.835 3.558 20 0 EHADLO Cc1cnn(CC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451015791 1035033514 /nfs/dbraw/zinc/03/35/14/1035033514.db2.gz KRKRDGCOIPFUBI-INIZCTEOSA-N 1 2 329.835 3.558 20 0 EHADLO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000343827238 1035116157 /nfs/dbraw/zinc/11/61/57/1035116157.db2.gz AICWHAIDJCZWTM-GTUYJWLHSA-N 1 2 348.415 3.750 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000612796250 1035226813 /nfs/dbraw/zinc/22/68/13/1035226813.db2.gz HBDAQPSIQWWFHV-NBYUQASBSA-N 1 2 337.467 3.794 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC2(C)C)c(C)c1 ZINC000612795585 1035231897 /nfs/dbraw/zinc/23/18/97/1035231897.db2.gz ANGWCXVYCSEMRL-ZWKOTPCHSA-N 1 2 325.456 3.794 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nn(CC)nc2C)cc1OCC ZINC000924559458 1035268331 /nfs/dbraw/zinc/26/83/31/1035268331.db2.gz QYSXILWTMYLWBQ-KGLIPLIRSA-N 1 2 346.475 3.816 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnc1N1CCCC[C@H]1C ZINC000570454211 1035271131 /nfs/dbraw/zinc/27/11/31/1035271131.db2.gz BGGPGHWIOIVNPU-HZPDHXFCSA-N 1 2 341.459 3.555 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c(Cl)cccc1Cl ZINC000376108518 1035276377 /nfs/dbraw/zinc/27/63/77/1035276377.db2.gz BSTFBUSCUMVLSU-UHFFFAOYSA-N 1 2 338.238 3.798 20 0 EHADLO CN(C)c1cc(C[NH2+]Cc2c(F)ccc(O)c2F)c2ccccc2n1 ZINC000511395638 1035295752 /nfs/dbraw/zinc/29/57/52/1035295752.db2.gz RPQKEQUIZDXRPX-UHFFFAOYSA-N 1 2 343.377 3.574 20 0 EHADLO Fc1cc(Cl)c(O[C@@H]2CC[NH2+]CC2(F)F)c(Br)c1 ZINC001218007253 1035360841 /nfs/dbraw/zinc/36/08/41/1035360841.db2.gz RKSUQWQXJNVYMG-SECBINFHSA-N 1 2 344.558 3.618 20 0 EHADLO CCCOCc1ccccc1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000414059835 1035420153 /nfs/dbraw/zinc/42/01/53/1035420153.db2.gz AJCBBGCEYDCGMM-CYBMUJFWSA-N 1 2 348.468 3.707 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000414067809 1035433503 /nfs/dbraw/zinc/43/35/03/1035433503.db2.gz JIWVPCAJHMAURV-GFCCVEGCSA-N 1 2 343.452 3.879 20 0 EHADLO C[C@H](c1nc(Cc2c[nH]c3ccc(Br)cc23)no1)[NH+](C)C ZINC000923881549 1035453496 /nfs/dbraw/zinc/45/34/96/1035453496.db2.gz ZKRYLPJBSRPZRJ-SECBINFHSA-N 1 2 349.232 3.527 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161745020 1035476288 /nfs/dbraw/zinc/47/62/88/1035476288.db2.gz RNEFKWJZNBUCPF-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO C[C@@H](c1cccc(N=c2[nH]c3ccccc3s2)c1)[NH+]1CCOCC1 ZINC000511462133 1035476863 /nfs/dbraw/zinc/47/68/63/1035476863.db2.gz LTWPRSASFYFEQH-AWEZNQCLSA-N 1 2 339.464 3.855 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccccc2OCc2cccnc2)cs1 ZINC000613271903 1035486826 /nfs/dbraw/zinc/48/68/26/1035486826.db2.gz WKCNLEYKNHWWKO-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000456890269 1035502793 /nfs/dbraw/zinc/50/27/93/1035502793.db2.gz ZYLCBODIVXGSLU-DOTOQJQBSA-N 1 2 331.847 3.769 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000492231960 1035507259 /nfs/dbraw/zinc/50/72/59/1035507259.db2.gz NKEJIYWBPUCGOD-ARJAWSKDSA-N 1 2 338.238 3.752 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000429776385 1035515374 /nfs/dbraw/zinc/51/53/74/1035515374.db2.gz ROGHESZFUXUPQN-SNVBAGLBSA-N 1 2 330.284 3.969 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000429776385 1035515383 /nfs/dbraw/zinc/51/53/83/1035515383.db2.gz ROGHESZFUXUPQN-SNVBAGLBSA-N 1 2 330.284 3.969 20 0 EHADLO O=C(/C=C\c1cscn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492249091 1035527525 /nfs/dbraw/zinc/52/75/25/1035527525.db2.gz NPUBRNSPHSJSTQ-FPLPWBNLSA-N 1 2 348.431 3.710 20 0 EHADLO O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccn2cc[nH+]c2c1 ZINC000571605305 1035564145 /nfs/dbraw/zinc/56/41/45/1035564145.db2.gz FEIJOAHZHIIMIX-NWDGAFQWSA-N 1 2 340.349 3.825 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2ccsc2Br)c1 ZINC000282260326 1035563875 /nfs/dbraw/zinc/56/38/75/1035563875.db2.gz NSGSANRRDDQKDN-UHFFFAOYSA-N 1 2 342.258 3.818 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1OC1CCCC1 ZINC000414110663 1035564200 /nfs/dbraw/zinc/56/42/00/1035564200.db2.gz IKXMDFICQPYKHH-CQSZACIVSA-N 1 2 329.444 3.601 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)sc1C ZINC000186163474 1035594627 /nfs/dbraw/zinc/59/46/27/1035594627.db2.gz WLBWBAIDAJSROZ-CYBMUJFWSA-N 1 2 341.480 3.634 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)sc1C ZINC000186163474 1035594643 /nfs/dbraw/zinc/59/46/43/1035594643.db2.gz WLBWBAIDAJSROZ-CYBMUJFWSA-N 1 2 341.480 3.634 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016381056 1035602811 /nfs/dbraw/zinc/60/28/11/1035602811.db2.gz NMTNODIKUKBSIV-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016381056 1035602824 /nfs/dbraw/zinc/60/28/24/1035602824.db2.gz NMTNODIKUKBSIV-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO Cn1c[nH+]c2cc(Nc3nccc(OCc4ccccc4)n3)ccc21 ZINC000534795307 1035610999 /nfs/dbraw/zinc/61/09/99/1035610999.db2.gz PXYYXOAOBFYPFS-UHFFFAOYSA-N 1 2 331.379 3.686 20 0 EHADLO Cc1nc2c3ccccc3nc(SCc3ccc(C)[nH+]c3C)n2n1 ZINC000186543775 1035658449 /nfs/dbraw/zinc/65/84/49/1035658449.db2.gz MYACGPXDFZVJFT-UHFFFAOYSA-N 1 2 335.436 3.890 20 0 EHADLO CCc1cnccc1[C@H](C)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492339294 1035661711 /nfs/dbraw/zinc/66/17/11/1035661711.db2.gz CCOKVFXUTHVMDI-HWYHOQROSA-N 1 2 346.434 3.720 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000666162737 1035670473 /nfs/dbraw/zinc/67/04/73/1035670473.db2.gz CAKWILHTASNQBB-YOEHRIQHSA-N 1 2 344.434 3.835 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000457078861 1035727867 /nfs/dbraw/zinc/72/78/67/1035727867.db2.gz MBKHRXFORZYLNS-ZMSDIMECSA-N 1 2 343.858 3.551 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669884660 1035768323 /nfs/dbraw/zinc/76/83/23/1035768323.db2.gz KJJSLJIMHOVFNC-AWEZNQCLSA-N 1 2 334.489 3.690 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187221631 1035774585 /nfs/dbraw/zinc/77/45/85/1035774585.db2.gz RQVKFNIBMFOEOK-MYYSRTQBSA-N 1 2 344.480 3.537 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588169105 1035796485 /nfs/dbraw/zinc/79/64/85/1035796485.db2.gz WMBARDNRYYOPFI-HXUWFJFHSA-N 1 2 326.440 3.677 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588169105 1035796501 /nfs/dbraw/zinc/79/65/01/1035796501.db2.gz WMBARDNRYYOPFI-HXUWFJFHSA-N 1 2 326.440 3.677 20 0 EHADLO Cc1ccc(/C=C\S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000055957116 1035887447 /nfs/dbraw/zinc/88/74/47/1035887447.db2.gz WKCFNRZTYFAFNL-RAXLEYEMSA-N 1 2 340.404 3.560 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457270541 1035910251 /nfs/dbraw/zinc/91/02/51/1035910251.db2.gz GBXAZLQPQVDKPP-IEBWSBKVSA-N 1 2 335.451 3.589 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccc(F)cc3)C(C)C)[nH+]c12 ZINC000588359962 1035910992 /nfs/dbraw/zinc/91/09/92/1035910992.db2.gz NUHBXSZNZSLQMG-UHFFFAOYSA-N 1 2 339.414 3.762 20 0 EHADLO COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(C)[nH+]cc3C)c2c1 ZINC000535036593 1035914182 /nfs/dbraw/zinc/91/41/82/1035914182.db2.gz UVSRPFMYJDGZSL-UHFFFAOYSA-N 1 2 347.418 3.807 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000588641517 1035938732 /nfs/dbraw/zinc/93/87/32/1035938732.db2.gz RKURSBZVLMKZGA-HNNXBMFYSA-N 1 2 343.496 3.865 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000588641517 1035938749 /nfs/dbraw/zinc/93/87/49/1035938749.db2.gz RKURSBZVLMKZGA-HNNXBMFYSA-N 1 2 343.496 3.865 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000535061566 1035942544 /nfs/dbraw/zinc/94/25/44/1035942544.db2.gz ARWKQPKBVHOIAB-UHFFFAOYSA-N 1 2 347.422 3.814 20 0 EHADLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1-c1ccc(Cl)cc1 ZINC000535035621 1035943184 /nfs/dbraw/zinc/94/31/84/1035943184.db2.gz BVKCDQCAHVTDHK-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000572007824 1035970332 /nfs/dbraw/zinc/97/03/32/1035970332.db2.gz NOUSTDPAXLPVRQ-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000572007824 1035970350 /nfs/dbraw/zinc/97/03/50/1035970350.db2.gz NOUSTDPAXLPVRQ-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO C[N@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000508644213 1036002240 /nfs/dbraw/zinc/00/22/40/1036002240.db2.gz BEZPHPKMRRVKHP-HNNXBMFYSA-N 1 2 332.394 3.771 20 0 EHADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000508644213 1036002265 /nfs/dbraw/zinc/00/22/65/1036002265.db2.gz BEZPHPKMRRVKHP-HNNXBMFYSA-N 1 2 332.394 3.771 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cnn2ccccc12 ZINC000535078235 1036003483 /nfs/dbraw/zinc/00/34/83/1036003483.db2.gz QEZDBYQKOKPSEB-HXUWFJFHSA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cnn2ccccc12 ZINC000535078235 1036003503 /nfs/dbraw/zinc/00/35/03/1036003503.db2.gz QEZDBYQKOKPSEB-HXUWFJFHSA-N 1 2 345.450 3.948 20 0 EHADLO COc1nc(C)cc(C)c1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000572199533 1036038627 /nfs/dbraw/zinc/03/86/27/1036038627.db2.gz XIBWPQLGBFWBEB-UHFFFAOYSA-N 1 2 336.317 3.519 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000189494061 1036071064 /nfs/dbraw/zinc/07/10/64/1036071064.db2.gz SYWDOTDVWGLBAC-MRXNPFEDSA-N 1 2 337.467 3.783 20 0 EHADLO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1F ZINC000572412545 1036082081 /nfs/dbraw/zinc/08/20/81/1036082081.db2.gz NIJHCLFDZTVTQB-WMLWOHAOSA-N 1 2 339.332 3.942 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(Br)cc2C)C1 ZINC001140795539 1036096378 /nfs/dbraw/zinc/09/63/78/1036096378.db2.gz DZPWVUDVOYEWGG-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(Br)cc2C)C1 ZINC001140795539 1036096394 /nfs/dbraw/zinc/09/63/94/1036096394.db2.gz DZPWVUDVOYEWGG-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc(N3CCOCC3)c2)c1 ZINC000653512005 1036161547 /nfs/dbraw/zinc/16/15/47/1036161547.db2.gz ZXYCZJKJOWRTKY-UHFFFAOYSA-N 1 2 337.398 3.574 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc2cc[nH]c2c1 ZINC000063656901 1036176025 /nfs/dbraw/zinc/17/60/25/1036176025.db2.gz NICVVVPBQQFRPN-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474844 1036176997 /nfs/dbraw/zinc/17/69/97/1036176997.db2.gz DJBLGMYDZLIXCC-GHMZBOCLSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474844 1036177011 /nfs/dbraw/zinc/17/70/11/1036177011.db2.gz DJBLGMYDZLIXCC-GHMZBOCLSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000457514930 1036184845 /nfs/dbraw/zinc/18/48/45/1036184845.db2.gz GADHCVQWDQINCW-STQMWFEESA-N 1 2 346.368 3.619 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000174973401 1036190324 /nfs/dbraw/zinc/19/03/24/1036190324.db2.gz YEXCZMSDUMGWRD-SIFCLUCFSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000174973401 1036190334 /nfs/dbraw/zinc/19/03/34/1036190334.db2.gz YEXCZMSDUMGWRD-SIFCLUCFSA-N 1 2 336.435 3.909 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000255892467 1036190722 /nfs/dbraw/zinc/19/07/22/1036190722.db2.gz IAXJCAFYSOBQLE-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000255892467 1036190732 /nfs/dbraw/zinc/19/07/32/1036190732.db2.gz IAXJCAFYSOBQLE-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000457547091 1036272860 /nfs/dbraw/zinc/27/28/60/1036272860.db2.gz ZXRQEWDTCWYXGP-ZIAGYGMSSA-N 1 2 340.414 3.700 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000056444939 1036279867 /nfs/dbraw/zinc/27/98/67/1036279867.db2.gz VZSFIFAOEPOMLL-MRXNPFEDSA-N 1 2 343.496 3.645 20 0 EHADLO CC(C)CC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000760724367 1036287909 /nfs/dbraw/zinc/28/79/09/1036287909.db2.gz RHTUQEHREYIIIQ-UHFFFAOYSA-N 1 2 344.503 3.650 20 0 EHADLO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CC[C@H](C)O2)n1 ZINC000190899384 1036318883 /nfs/dbraw/zinc/31/88/83/1036318883.db2.gz GGSJJEQAYGTFDW-PXNSSMCTSA-N 1 2 325.456 3.663 20 0 EHADLO C[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)c1cccc(Br)c1 ZINC000784364099 1036342394 /nfs/dbraw/zinc/34/23/94/1036342394.db2.gz LGTQELFJBUUBQN-LLVKDONJSA-N 1 2 349.228 3.663 20 0 EHADLO COc1cccc(C[C@H]2CCCN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000535335181 1036349044 /nfs/dbraw/zinc/34/90/44/1036349044.db2.gz CQQPJIZGZVPYTA-QGZVFWFLSA-N 1 2 338.455 3.519 20 0 EHADLO COc1cccc(C[C@H]2CCCN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000535335181 1036349063 /nfs/dbraw/zinc/34/90/63/1036349063.db2.gz CQQPJIZGZVPYTA-QGZVFWFLSA-N 1 2 338.455 3.519 20 0 EHADLO CC(C)(NC(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000589423203 1036387011 /nfs/dbraw/zinc/38/70/11/1036387011.db2.gz UBJVYXZUDJBFPM-UHFFFAOYSA-N 1 2 339.361 3.734 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457695456 1036406904 /nfs/dbraw/zinc/40/69/04/1036406904.db2.gz SQTIXJOTLZDFPS-OOVXXXAESA-N 1 2 346.368 3.508 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457695456 1036406915 /nfs/dbraw/zinc/40/69/15/1036406915.db2.gz SQTIXJOTLZDFPS-OOVXXXAESA-N 1 2 346.368 3.508 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)c1 ZINC000535380315 1036421293 /nfs/dbraw/zinc/42/12/93/1036421293.db2.gz IJFHREVHLZHHRD-GOSISDBHSA-N 1 2 349.377 3.740 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)c1 ZINC000535380315 1036421301 /nfs/dbraw/zinc/42/13/01/1036421301.db2.gz IJFHREVHLZHHRD-GOSISDBHSA-N 1 2 349.377 3.740 20 0 EHADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457760756 1036462682 /nfs/dbraw/zinc/46/26/82/1036462682.db2.gz ADBNUIVTRCTAHJ-OXQOHEQNSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000541595647 1036481513 /nfs/dbraw/zinc/48/15/13/1036481513.db2.gz VSKCCXDZUFBZOS-IAGOWNOFSA-N 1 2 329.419 3.802 20 0 EHADLO Cc1cc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000541595648 1036481531 /nfs/dbraw/zinc/48/15/31/1036481531.db2.gz VSKCCXDZUFBZOS-IRXDYDNUSA-N 1 2 329.419 3.802 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1nc(-c2cccnc2)no1 ZINC000192353145 1036498992 /nfs/dbraw/zinc/49/89/92/1036498992.db2.gz CDAWZMADVDOPPN-BLLLJJGKSA-N 1 2 336.395 3.565 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(Cl)cc1F ZINC000464492395 1036500476 /nfs/dbraw/zinc/50/04/76/1036500476.db2.gz CMQDGHYXWLQTII-HNNXBMFYSA-N 1 2 339.846 3.708 20 0 EHADLO CC(C)CC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000760744225 1036503538 /nfs/dbraw/zinc/50/35/38/1036503538.db2.gz IEVHHVUNCWXXKH-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1nc2ccsc2s1 ZINC000572818067 1036508112 /nfs/dbraw/zinc/50/81/12/1036508112.db2.gz MBESXFROYBAEOB-UHFFFAOYSA-N 1 2 347.469 3.555 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2cccc(C(C)C)c2)o1 ZINC000541629248 1036518145 /nfs/dbraw/zinc/51/81/45/1036518145.db2.gz RJTURDRCCCTRAF-SFHVURJKSA-N 1 2 344.455 3.881 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000493029372 1036530488 /nfs/dbraw/zinc/53/04/88/1036530488.db2.gz VZTDPICRAICYLR-YFHOEESVSA-N 1 2 329.831 3.545 20 0 EHADLO CCc1nc(C)c(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000572871258 1036541398 /nfs/dbraw/zinc/54/13/98/1036541398.db2.gz CXDVQZJTEKFBEW-AWEZNQCLSA-N 1 2 340.452 3.898 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635766 1036546009 /nfs/dbraw/zinc/54/60/09/1036546009.db2.gz PSPHWKVVIFHZIN-CQSZACIVSA-N 1 2 346.393 3.537 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635766 1036546017 /nfs/dbraw/zinc/54/60/17/1036546017.db2.gz PSPHWKVVIFHZIN-CQSZACIVSA-N 1 2 346.393 3.537 20 0 EHADLO CCC1(CC)C[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)CCS1 ZINC000464578546 1036564741 /nfs/dbraw/zinc/56/47/41/1036564741.db2.gz NMDQTOBVCBVDSU-UHFFFAOYSA-N 1 2 347.484 3.853 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)CCS1 ZINC000464578546 1036564742 /nfs/dbraw/zinc/56/47/42/1036564742.db2.gz NMDQTOBVCBVDSU-UHFFFAOYSA-N 1 2 347.484 3.853 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000589641757 1036574619 /nfs/dbraw/zinc/57/46/19/1036574619.db2.gz MJOPHNJMUZYKHF-ZDUSSCGKSA-N 1 2 349.438 3.698 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)no1 ZINC000541704097 1036581743 /nfs/dbraw/zinc/58/17/43/1036581743.db2.gz YCEOTFWSKHVCDI-YJBOKZPZSA-N 1 2 349.434 3.623 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000193217179 1036582922 /nfs/dbraw/zinc/58/29/22/1036582922.db2.gz WRIFXGPHICFWBD-UHFFFAOYSA-N 1 2 339.370 3.923 20 0 EHADLO CC(C)[NH+]1CC(Oc2nc3cc(Br)ccc3s2)C1 ZINC001228976114 1036624674 /nfs/dbraw/zinc/62/46/74/1036624674.db2.gz WRLJQFOOFOHKBL-UHFFFAOYSA-N 1 2 327.247 3.530 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771527 1036642167 /nfs/dbraw/zinc/64/21/67/1036642167.db2.gz LGCKJDYJLUTGOG-YPMHNXCESA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771527 1036642174 /nfs/dbraw/zinc/64/21/74/1036642174.db2.gz LGCKJDYJLUTGOG-YPMHNXCESA-N 1 2 335.341 3.766 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000464676169 1036651897 /nfs/dbraw/zinc/65/18/97/1036651897.db2.gz FVCNBCHJARXFQC-YLJYHZDGSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000464676169 1036651908 /nfs/dbraw/zinc/65/19/08/1036651908.db2.gz FVCNBCHJARXFQC-YLJYHZDGSA-N 1 2 343.492 3.852 20 0 EHADLO CC1CCC([N@H+](Cn2nc(-c3ccccc3)ccc2=O)C2CC2)CC1 ZINC000057086522 1036684966 /nfs/dbraw/zinc/68/49/66/1036684966.db2.gz AIEAVMCUOAFMKO-UHFFFAOYSA-N 1 2 337.467 3.911 20 0 EHADLO CC1CCC([N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C2CC2)CC1 ZINC000057086522 1036684969 /nfs/dbraw/zinc/68/49/69/1036684969.db2.gz AIEAVMCUOAFMKO-UHFFFAOYSA-N 1 2 337.467 3.911 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc(-c2ccncc2)cs1)n1cc[nH+]c1 ZINC000636416511 1036694880 /nfs/dbraw/zinc/69/48/80/1036694880.db2.gz VOBMBZIGFITXAC-OAHLLOKOSA-N 1 2 341.440 3.628 20 0 EHADLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(F)c1 ZINC000176811741 1036700057 /nfs/dbraw/zinc/70/00/57/1036700057.db2.gz NMMVAMAIYUNAGF-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2csc(Nc3ccc(C)cc3)n2)C1 ZINC000464728977 1036707032 /nfs/dbraw/zinc/70/70/32/1036707032.db2.gz HSKGKBIZUOXCME-AWEZNQCLSA-N 1 2 345.468 3.580 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2csc(Nc3ccc(C)cc3)n2)C1 ZINC000464728977 1036707045 /nfs/dbraw/zinc/70/70/45/1036707045.db2.gz HSKGKBIZUOXCME-AWEZNQCLSA-N 1 2 345.468 3.580 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000177010637 1036749618 /nfs/dbraw/zinc/74/96/18/1036749618.db2.gz RQSKWMWXXAUGII-ZDUSSCGKSA-N 1 2 333.863 3.700 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000177010637 1036749626 /nfs/dbraw/zinc/74/96/26/1036749626.db2.gz RQSKWMWXXAUGII-ZDUSSCGKSA-N 1 2 333.863 3.700 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C2CC2)cc1 ZINC000186439815 1036771498 /nfs/dbraw/zinc/77/14/98/1036771498.db2.gz XIFBXRFUOCTXHJ-OAQYLSRUSA-N 1 2 348.450 3.933 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155008 1036777907 /nfs/dbraw/zinc/77/79/07/1036777907.db2.gz HWTKUQJGKHWVGI-DZGCQCFKSA-N 1 2 330.457 3.512 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)c3ccc(F)c(Cl)c3)[nH+]c12 ZINC000539537900 1036878945 /nfs/dbraw/zinc/87/89/45/1036878945.db2.gz RSHMZPGOMCTZAY-UHFFFAOYSA-N 1 2 331.778 3.641 20 0 EHADLO Cc1cc(Br)c(C)c(C)c1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218278016 1036898838 /nfs/dbraw/zinc/89/88/38/1036898838.db2.gz JWGODMWXYDVCJP-NSHDSACASA-N 1 2 334.204 3.750 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C ZINC000360105684 1036906536 /nfs/dbraw/zinc/90/65/36/1036906536.db2.gz TVKOXRFKRHNHEB-SFHVURJKSA-N 1 2 340.471 3.711 20 0 EHADLO Clc1cccc2c1CC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000539597697 1036952195 /nfs/dbraw/zinc/95/21/95/1036952195.db2.gz VUVQWDZKTZHCFL-KRWDZBQOSA-N 1 2 329.831 3.671 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000541992117 1036955076 /nfs/dbraw/zinc/95/50/76/1036955076.db2.gz NNXHTUVGNFVRNB-OAHLLOKOSA-N 1 2 339.501 3.827 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000541992117 1036955091 /nfs/dbraw/zinc/95/50/91/1036955091.db2.gz NNXHTUVGNFVRNB-OAHLLOKOSA-N 1 2 339.501 3.827 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([S@@](C)=O)cc1 ZINC000090228963 1036962178 /nfs/dbraw/zinc/96/21/78/1036962178.db2.gz VJNQSKIUMIZYBW-KLVQOETNSA-N 1 2 345.361 3.831 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc2c(c1)OCO2 ZINC000053133534 1036992289 /nfs/dbraw/zinc/99/22/89/1036992289.db2.gz TWESTKCHAOYTAK-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc2c(c1)OCO2 ZINC000053133534 1036992301 /nfs/dbraw/zinc/99/23/01/1036992301.db2.gz TWESTKCHAOYTAK-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728716 1037007248 /nfs/dbraw/zinc/00/72/48/1037007248.db2.gz GXTNHADYVKFEGQ-HCXYKTFWSA-N 1 2 347.503 3.524 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414366854 1037020235 /nfs/dbraw/zinc/02/02/35/1037020235.db2.gz CNNGUZBLFATAPD-CQSZACIVSA-N 1 2 337.510 3.952 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414366854 1037020251 /nfs/dbraw/zinc/02/02/51/1037020251.db2.gz CNNGUZBLFATAPD-CQSZACIVSA-N 1 2 337.510 3.952 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178388443 1037032921 /nfs/dbraw/zinc/03/29/21/1037032921.db2.gz TUJLQJRRTGUSBP-UHFFFAOYSA-N 1 2 341.414 3.860 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)nc2sccn21 ZINC000053157490 1037051348 /nfs/dbraw/zinc/05/13/48/1037051348.db2.gz IPZLMSDFCKAHGA-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)nc2sccn21 ZINC000053157490 1037051352 /nfs/dbraw/zinc/05/13/52/1037051352.db2.gz IPZLMSDFCKAHGA-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO C[N@H+](CCC(F)(F)F)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000104678240 1037063962 /nfs/dbraw/zinc/06/39/62/1037063962.db2.gz DFSHALKPTVLKEJ-OAHLLOKOSA-N 1 2 328.378 3.624 20 0 EHADLO C[N@@H+](CCC(F)(F)F)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000104678240 1037063966 /nfs/dbraw/zinc/06/39/66/1037063966.db2.gz DFSHALKPTVLKEJ-OAHLLOKOSA-N 1 2 328.378 3.624 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1Br ZINC000876995991 1037064099 /nfs/dbraw/zinc/06/40/99/1037064099.db2.gz LQCSOLQUCHSHIB-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO CCC(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000761506728 1037077196 /nfs/dbraw/zinc/07/71/96/1037077196.db2.gz GHIYYZYMBRUHKG-UHFFFAOYSA-N 1 2 334.375 3.822 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000636436837 1037081684 /nfs/dbraw/zinc/08/16/84/1037081684.db2.gz SPKUQANINFPPBY-GFCCVEGCSA-N 1 2 337.345 3.720 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000186904115 1037103530 /nfs/dbraw/zinc/10/35/30/1037103530.db2.gz QRDHHDWRRXSAFR-IBGZPJMESA-N 1 2 339.826 3.522 20 0 EHADLO CCCCC1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590861750 1037106811 /nfs/dbraw/zinc/10/68/11/1037106811.db2.gz OONHTUUTECZJLO-ABHNRTSZSA-N 1 2 332.492 3.979 20 0 EHADLO C[C@@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590893675 1037107733 /nfs/dbraw/zinc/10/77/33/1037107733.db2.gz JNEHDZLYVVCTAU-IIBYNOLFSA-N 1 2 345.446 3.871 20 0 EHADLO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590893676 1037108309 /nfs/dbraw/zinc/10/83/09/1037108309.db2.gz JNEHDZLYVVCTAU-KKSFZXQISA-N 1 2 345.446 3.871 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590873595 1037109314 /nfs/dbraw/zinc/10/93/14/1037109314.db2.gz PPHQVNNJXBAACK-LJQANCHMSA-N 1 2 340.471 3.643 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2c(F)cc(C)cc2Cl)o1 ZINC000590965073 1037145298 /nfs/dbraw/zinc/14/52/98/1037145298.db2.gz RFJFDJMZLNOEKO-UHFFFAOYSA-N 1 2 325.767 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccco1 ZINC000008197278 1037192576 /nfs/dbraw/zinc/19/25/76/1037192576.db2.gz NDVJZZQWJIIXPP-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccco1 ZINC000008197278 1037192584 /nfs/dbraw/zinc/19/25/84/1037192584.db2.gz NDVJZZQWJIIXPP-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000542243161 1037207016 /nfs/dbraw/zinc/20/70/16/1037207016.db2.gz OVEUVMGFGJFNBW-GOSISDBHSA-N 1 2 347.462 3.818 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000462635110 1037213018 /nfs/dbraw/zinc/21/30/18/1037213018.db2.gz AFNWQTMSPFDQTP-CXAGYDPISA-N 1 2 330.378 3.528 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000462635112 1037215527 /nfs/dbraw/zinc/21/55/27/1037215527.db2.gz AFNWQTMSPFDQTP-GUYCJALGSA-N 1 2 330.378 3.528 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000539829296 1037255450 /nfs/dbraw/zinc/25/54/50/1037255450.db2.gz ONYCUBQODMIEGG-UHFFFAOYSA-N 1 2 338.411 3.552 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000539829296 1037255459 /nfs/dbraw/zinc/25/54/59/1037255459.db2.gz ONYCUBQODMIEGG-UHFFFAOYSA-N 1 2 338.411 3.552 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(F)cc3)CCC2)s1 ZINC000591241178 1037286839 /nfs/dbraw/zinc/28/68/39/1037286839.db2.gz KGRLNOWPDZHSRQ-NSHDSACASA-N 1 2 334.416 3.799 20 0 EHADLO O=C(NC[C@@H]1CC12CC2)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000573114299 1037289086 /nfs/dbraw/zinc/28/90/86/1037289086.db2.gz ZATAFIDOHIRAQY-AWEZNQCLSA-N 1 2 336.439 3.808 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136003 1037293355 /nfs/dbraw/zinc/29/33/55/1037293355.db2.gz MOYSAZFFPNMPOZ-QAPCUYQASA-N 1 2 325.456 3.557 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136003 1037293372 /nfs/dbraw/zinc/29/33/72/1037293372.db2.gz MOYSAZFFPNMPOZ-QAPCUYQASA-N 1 2 325.456 3.557 20 0 EHADLO COC(=O)c1coc(C[N@@H+](C)Cc2csc(Br)c2)c1 ZINC000171034415 1037424958 /nfs/dbraw/zinc/42/49/58/1037424958.db2.gz WSIRUKGTJAPBIH-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1coc(C[N@H+](C)Cc2csc(Br)c2)c1 ZINC000171034415 1037424949 /nfs/dbraw/zinc/42/49/49/1037424949.db2.gz WSIRUKGTJAPBIH-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000493577614 1037466327 /nfs/dbraw/zinc/46/63/27/1037466327.db2.gz DXNMIWUFTCMUSF-SOFGYWHQSA-N 1 2 338.798 3.632 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000462858173 1037479904 /nfs/dbraw/zinc/47/99/04/1037479904.db2.gz ZTGDBOFODBWFTN-AWEZNQCLSA-N 1 2 331.847 3.906 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000153108227 1037577706 /nfs/dbraw/zinc/57/77/06/1037577706.db2.gz UJUXTIJHAGJFGI-CYBMUJFWSA-N 1 2 349.529 3.568 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000153108227 1037577710 /nfs/dbraw/zinc/57/77/10/1037577710.db2.gz UJUXTIJHAGJFGI-CYBMUJFWSA-N 1 2 349.529 3.568 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204923 1037606228 /nfs/dbraw/zinc/60/62/28/1037606228.db2.gz XKSGHEJPGQIQBN-UHFFFAOYSA-N 1 2 344.509 3.991 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204923 1037606241 /nfs/dbraw/zinc/60/62/41/1037606241.db2.gz XKSGHEJPGQIQBN-UHFFFAOYSA-N 1 2 344.509 3.991 20 0 EHADLO CNc1ccc(Nc2cc(-c3ccsc3)sc2C(N)=O)c[nH+]1 ZINC001203449817 1037617581 /nfs/dbraw/zinc/61/75/81/1037617581.db2.gz LYMKGWAZLCUIHJ-UHFFFAOYSA-N 1 2 330.438 3.756 20 0 EHADLO c1cc(-c2ccncc2)n(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000151762441 1037629635 /nfs/dbraw/zinc/62/96/35/1037629635.db2.gz IPHDPEIJYJLBNG-LJQANCHMSA-N 1 2 336.464 3.693 20 0 EHADLO c1cc(-c2ccncc2)n(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000151762441 1037629645 /nfs/dbraw/zinc/62/96/45/1037629645.db2.gz IPHDPEIJYJLBNG-LJQANCHMSA-N 1 2 336.464 3.693 20 0 EHADLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000669861189 1037641521 /nfs/dbraw/zinc/64/15/21/1037641521.db2.gz BLPHUXAVVQYXKI-PBHICJAKSA-N 1 2 346.521 3.715 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000913716226 1037647953 /nfs/dbraw/zinc/64/79/53/1037647953.db2.gz GUJJGJPGUZNJRF-LPHOPBHVSA-N 1 2 342.414 3.654 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)CC2CCCC2)nc1-c1ccncc1 ZINC000058207498 1037654199 /nfs/dbraw/zinc/65/41/99/1037654199.db2.gz UCUBOETYKKGJHB-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)CC2CCCC2)nc1-c1ccncc1 ZINC000058207498 1037654208 /nfs/dbraw/zinc/65/42/08/1037654208.db2.gz UCUBOETYKKGJHB-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711826 1037656408 /nfs/dbraw/zinc/65/64/08/1037656408.db2.gz JAVIJAQMPSAZTI-ZDUSSCGKSA-N 1 2 339.361 3.645 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc(C2CC2)cc1 ZINC000493862130 1037681443 /nfs/dbraw/zinc/68/14/43/1037681443.db2.gz YRHQLRDMVPHLBD-GHXNOFRVSA-N 1 2 335.451 3.769 20 0 EHADLO Cc1cccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000493866601 1037684976 /nfs/dbraw/zinc/68/49/76/1037684976.db2.gz CZLLKNWBQMCOPS-CMDGGOBGSA-N 1 2 349.478 3.947 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC23CCCCC3)CC1 ZINC000463033705 1037696119 /nfs/dbraw/zinc/69/61/19/1037696119.db2.gz KONFJFSYLUJBQH-NVXWUHKLSA-N 1 2 332.513 3.924 20 0 EHADLO COc1ccc(Cl)cc1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029914624 1037738023 /nfs/dbraw/zinc/73/80/23/1037738023.db2.gz MFAJCWFRERNXQA-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000112976481 1037770936 /nfs/dbraw/zinc/77/09/36/1037770936.db2.gz OLPFGXZMWSWDIM-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000112976481 1037770950 /nfs/dbraw/zinc/77/09/50/1037770950.db2.gz OLPFGXZMWSWDIM-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO Cc1ccc2oc(C(=O)NCC[N@@H+]3CCc4sccc4C3)cc2c1 ZINC000053270046 1037789172 /nfs/dbraw/zinc/78/91/72/1037789172.db2.gz KTYZPEVQFUJVAO-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO Cc1ccc2oc(C(=O)NCC[N@H+]3CCc4sccc4C3)cc2c1 ZINC000053270046 1037789186 /nfs/dbraw/zinc/78/91/86/1037789186.db2.gz KTYZPEVQFUJVAO-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO C[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCCO1 ZINC000573897394 1037796474 /nfs/dbraw/zinc/79/64/74/1037796474.db2.gz GZEJSMMPWVTWGU-FQEVSTJZSA-N 1 2 339.439 3.784 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000378070749 1037806835 /nfs/dbraw/zinc/80/68/35/1037806835.db2.gz DRBDJOWOHLDEHE-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000378070749 1037806857 /nfs/dbraw/zinc/80/68/57/1037806857.db2.gz DRBDJOWOHLDEHE-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c(C)[nH+]1 ZINC000913791078 1037866518 /nfs/dbraw/zinc/86/65/18/1037866518.db2.gz OKLCFHJCMUKISN-MRXNPFEDSA-N 1 2 340.471 3.873 20 0 EHADLO CC(=O)Nc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1 ZINC000492019470 1037873650 /nfs/dbraw/zinc/87/36/50/1037873650.db2.gz AGEKYRKWHCZFNB-UHFFFAOYSA-N 1 2 341.333 3.677 20 0 EHADLO Cc1c[nH+]ccc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000492024519 1037879202 /nfs/dbraw/zinc/87/92/02/1037879202.db2.gz WWJHCZINWPVFOO-UHFFFAOYSA-N 1 2 332.469 3.527 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C/c2ccccc2-n2cccn2)c(C)[nH+]1 ZINC000492031377 1037887013 /nfs/dbraw/zinc/88/70/13/1037887013.db2.gz LGXVQACDRPSIDZ-MDZDMXLPSA-N 1 2 332.407 3.844 20 0 EHADLO COc1cc(C)nc(C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000214048926 1037892848 /nfs/dbraw/zinc/89/28/48/1037892848.db2.gz DVOVUZFIPZQMDD-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000592324497 1037906980 /nfs/dbraw/zinc/90/69/80/1037906980.db2.gz WTIBBFLNHMLRDE-KRWDZBQOSA-N 1 2 326.444 3.657 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000592324497 1037906989 /nfs/dbraw/zinc/90/69/89/1037906989.db2.gz WTIBBFLNHMLRDE-KRWDZBQOSA-N 1 2 326.444 3.657 20 0 EHADLO CCC1(CC)CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000913807174 1037922827 /nfs/dbraw/zinc/92/28/27/1037922827.db2.gz WTYRNVRQKOWRBQ-UHFFFAOYSA-N 1 2 340.471 3.790 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(C)cc3)CCC2)s1 ZINC000592400822 1037940965 /nfs/dbraw/zinc/94/09/65/1037940965.db2.gz WHTOJXCKWKZOOA-CYBMUJFWSA-N 1 2 330.453 3.968 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001143503384 1037979536 /nfs/dbraw/zinc/97/95/36/1037979536.db2.gz QYYMAUGBPQRWPX-NEPJUHHUSA-N 1 2 341.707 3.825 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001143503384 1037979550 /nfs/dbraw/zinc/97/95/50/1037979550.db2.gz QYYMAUGBPQRWPX-NEPJUHHUSA-N 1 2 341.707 3.825 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000592453464 1037988422 /nfs/dbraw/zinc/98/84/22/1037988422.db2.gz ZEZAJIANLYBDDN-XMMPIXPASA-N 1 2 338.476 3.997 20 0 EHADLO Cc1cccc(CSCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123532647 1038034582 /nfs/dbraw/zinc/03/45/82/1038034582.db2.gz GTCDFBVNPLUIMJ-FUHWJXTLSA-N 1 2 343.496 3.534 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000454213049 1038316667 /nfs/dbraw/zinc/31/66/67/1038316667.db2.gz FUPSQMWMGLQJPJ-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(c3ccccn3)CC2)n1 ZINC000378258638 1038333085 /nfs/dbraw/zinc/33/30/85/1038333085.db2.gz JKMXQNVIIQVBMW-UHFFFAOYSA-N 1 2 348.450 3.743 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000378268279 1038339922 /nfs/dbraw/zinc/33/99/22/1038339922.db2.gz NSXBAHLWPZVAQP-CQSZACIVSA-N 1 2 326.444 3.739 20 0 EHADLO CC1(C)C[C@@H](c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)CCO1 ZINC000351197102 1038341542 /nfs/dbraw/zinc/34/15/42/1038341542.db2.gz VIRILAXBETVVIJ-INIZCTEOSA-N 1 2 338.411 3.654 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651350364 1038342632 /nfs/dbraw/zinc/34/26/32/1038342632.db2.gz QHWSJNLFEFXICG-MRXNPFEDSA-N 1 2 345.874 3.553 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccnc1 ZINC000378279561 1038359816 /nfs/dbraw/zinc/35/98/16/1038359816.db2.gz IWOBRKGDVPBLPK-OAHLLOKOSA-N 1 2 344.418 3.739 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2CCc2nsc3ccccc23)o1 ZINC000659936419 1038403068 /nfs/dbraw/zinc/40/30/68/1038403068.db2.gz RVOGLUMXQCZAHV-MRXNPFEDSA-N 1 2 328.437 3.814 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2CCc2nsc3ccccc23)o1 ZINC000659936419 1038403078 /nfs/dbraw/zinc/40/30/78/1038403078.db2.gz RVOGLUMXQCZAHV-MRXNPFEDSA-N 1 2 328.437 3.814 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3c4ccccc4CC[C@@H]3C)[nH+]c12 ZINC000538696193 1038473001 /nfs/dbraw/zinc/47/30/01/1038473001.db2.gz KTYFQHZPCHNFIQ-VBKZILBWSA-N 1 2 333.435 3.625 20 0 EHADLO CC(C)COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1C ZINC000181722085 1038473965 /nfs/dbraw/zinc/47/39/65/1038473965.db2.gz ZTSVVPSJVQPJGK-QGZVFWFLSA-N 1 2 330.476 3.727 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc2)c1 ZINC000538740442 1038504234 /nfs/dbraw/zinc/50/42/34/1038504234.db2.gz OVERFAKTDSBVRZ-KRWDZBQOSA-N 1 2 345.508 3.835 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc2)c1 ZINC000538740442 1038504248 /nfs/dbraw/zinc/50/42/48/1038504248.db2.gz OVERFAKTDSBVRZ-KRWDZBQOSA-N 1 2 345.508 3.835 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C)c[nH+]1 ZINC000378353839 1038505308 /nfs/dbraw/zinc/50/53/08/1038505308.db2.gz HECCMEDIDHHRLR-KPZWWZAWSA-N 1 2 327.403 3.874 20 0 EHADLO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000667175293 1038618557 /nfs/dbraw/zinc/61/85/57/1038618557.db2.gz FUTRSYXYRSULSU-JFIYKMOQSA-N 1 2 332.492 3.692 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1OC ZINC000182796952 1038638019 /nfs/dbraw/zinc/63/80/19/1038638019.db2.gz IBPGIXOVPDZOBP-ZDUSSCGKSA-N 1 2 344.459 3.720 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1ccccc1Cl)c1occc1C ZINC000924683142 1038674256 /nfs/dbraw/zinc/67/42/56/1038674256.db2.gz FBJXUYNRNOWPCP-MRXNPFEDSA-N 1 2 344.846 3.926 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000539226540 1038740402 /nfs/dbraw/zinc/74/04/02/1038740402.db2.gz NXYQUBSQFHNHEI-SECBINFHSA-N 1 2 326.293 3.532 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000539322494 1038792482 /nfs/dbraw/zinc/79/24/82/1038792482.db2.gz WJCIGDWLGIPUBO-QGZVFWFLSA-N 1 2 335.373 3.772 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000488035984 1038793799 /nfs/dbraw/zinc/79/37/99/1038793799.db2.gz YPKUUEKNUMFQOR-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000488035984 1038793816 /nfs/dbraw/zinc/79/38/16/1038793816.db2.gz YPKUUEKNUMFQOR-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC000378649106 1038824377 /nfs/dbraw/zinc/82/43/77/1038824377.db2.gz UJORJWINKRYHDI-WBMJQRKESA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC000378649106 1038824407 /nfs/dbraw/zinc/82/44/07/1038824407.db2.gz UJORJWINKRYHDI-WBMJQRKESA-N 1 2 336.432 3.643 20 0 EHADLO CCC1(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCC1 ZINC000462209513 1038844514 /nfs/dbraw/zinc/84/45/14/1038844514.db2.gz JCDAJKAQFOKCOA-HNNXBMFYSA-N 1 2 335.517 3.717 20 0 EHADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccc(Cl)cc3C(F)(F)F)C2)C1 ZINC001143505607 1038847322 /nfs/dbraw/zinc/84/73/22/1038847322.db2.gz KLTWHNZWLSTUSE-LBPRGKRZSA-N 1 2 336.760 3.587 20 0 EHADLO F[C@H]1CC[N@H+](C2CN(Cc3ccc(Cl)cc3C(F)(F)F)C2)C1 ZINC001143505607 1038847350 /nfs/dbraw/zinc/84/73/50/1038847350.db2.gz KLTWHNZWLSTUSE-LBPRGKRZSA-N 1 2 336.760 3.587 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000539363417 1038856347 /nfs/dbraw/zinc/85/63/47/1038856347.db2.gz WGOBNWGHIPVSCQ-FQEVSTJZSA-N 1 2 338.430 3.504 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582065926 1038856640 /nfs/dbraw/zinc/85/66/40/1038856640.db2.gz KDFYVZLFOZQFCU-YJBOKZPZSA-N 1 2 331.435 3.699 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC3(CC2)OCc2ccccc23)n1 ZINC000363904663 1038858614 /nfs/dbraw/zinc/85/86/14/1038858614.db2.gz VDVZFMYYJJQLAP-UHFFFAOYSA-N 1 2 341.455 3.680 20 0 EHADLO CCOc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000552035405 1038860350 /nfs/dbraw/zinc/86/03/50/1038860350.db2.gz WTXLOWUOBNPJRP-QAQDUYKDSA-N 1 2 339.439 3.633 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)C[C@@](C)(C(F)F)O1 ZINC000668822463 1038866379 /nfs/dbraw/zinc/86/63/79/1038866379.db2.gz WIDTVRSBZZMHBF-PSLIRLAXSA-N 1 2 330.762 3.726 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)C[C@@](C)(C(F)F)O1 ZINC000668822463 1038866404 /nfs/dbraw/zinc/86/64/04/1038866404.db2.gz WIDTVRSBZZMHBF-PSLIRLAXSA-N 1 2 330.762 3.726 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCCCc1ccccc1)c1c(F)cccc1Cl ZINC000539380848 1038874940 /nfs/dbraw/zinc/87/49/40/1038874940.db2.gz XIAJJHTZMXFZAH-AWEZNQCLSA-N 1 2 348.849 3.879 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000462229513 1038891335 /nfs/dbraw/zinc/89/13/35/1038891335.db2.gz DWIWXINRNVEUHF-BHIYHBOVSA-N 1 2 325.456 3.794 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)[nH]1 ZINC000432722559 1038918506 /nfs/dbraw/zinc/91/85/06/1038918506.db2.gz MRGRYPYHVRLLRH-JTQLQIEISA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)[nH]1 ZINC000432722559 1038918523 /nfs/dbraw/zinc/91/85/23/1038918523.db2.gz MRGRYPYHVRLLRH-JTQLQIEISA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)n[nH]1 ZINC000432722559 1038918559 /nfs/dbraw/zinc/91/85/59/1038918559.db2.gz MRGRYPYHVRLLRH-JTQLQIEISA-N 1 2 330.379 3.573 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)nc(C)n1 ZINC000660070046 1038918833 /nfs/dbraw/zinc/91/88/33/1038918833.db2.gz NQZJCPJTSAAMJR-LJQANCHMSA-N 1 2 335.455 3.707 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)nc(C)n1 ZINC000660070046 1038918839 /nfs/dbraw/zinc/91/88/39/1038918839.db2.gz NQZJCPJTSAAMJR-LJQANCHMSA-N 1 2 335.455 3.707 20 0 EHADLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C2CC2)cc1 ZINC000416734783 1038957397 /nfs/dbraw/zinc/95/73/97/1038957397.db2.gz OEJOLHPELZGLIV-OAHLLOKOSA-N 1 2 326.444 3.553 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccccc2n1 ZINC000660084859 1038989919 /nfs/dbraw/zinc/98/99/19/1038989919.db2.gz CONKBSFFKLRRON-UHFFFAOYSA-N 1 2 348.450 3.707 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccccc2n1 ZINC000660084859 1038989929 /nfs/dbraw/zinc/98/99/29/1038989929.db2.gz CONKBSFFKLRRON-UHFFFAOYSA-N 1 2 348.450 3.707 20 0 EHADLO Nc1cc(CSc2nnc(CCCc3ccccc3)o2)cc[nH+]1 ZINC000195501340 1038997583 /nfs/dbraw/zinc/99/75/83/1038997583.db2.gz UCINHRGCOYPLNK-UHFFFAOYSA-N 1 2 326.425 3.514 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cn(C)nc1C(C)(C)C)CC2 ZINC000552141911 1039006344 /nfs/dbraw/zinc/00/63/44/1039006344.db2.gz AKFVDUHLWHFKCA-UHFFFAOYSA-N 1 2 347.890 3.938 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cn(C)nc1C(C)(C)C)CC2 ZINC000552141911 1039006357 /nfs/dbraw/zinc/00/63/57/1039006357.db2.gz AKFVDUHLWHFKCA-UHFFFAOYSA-N 1 2 347.890 3.938 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000645785065 1039020365 /nfs/dbraw/zinc/02/03/65/1039020365.db2.gz LHXOVGSSMLCINB-SFHVURJKSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000645785065 1039020385 /nfs/dbraw/zinc/02/03/85/1039020385.db2.gz LHXOVGSSMLCINB-SFHVURJKSA-N 1 2 330.476 3.658 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@@]45CCO[C@@H]4CCCC5)n3)c2)c[nH+]1 ZINC000923890180 1039024619 /nfs/dbraw/zinc/02/46/19/1039024619.db2.gz XQNHDCPFPBFHNW-APWZRJJASA-N 1 2 336.395 3.523 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3s2)[C@@H](CC)CN1C(C)=O ZINC000432751015 1039041945 /nfs/dbraw/zinc/04/19/45/1039041945.db2.gz QWIXMNNXSOMKEB-LSDHHAIUSA-N 1 2 349.475 3.657 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3s2)[C@@H](CC)CN1C(C)=O ZINC000432751015 1039041963 /nfs/dbraw/zinc/04/19/63/1039041963.db2.gz QWIXMNNXSOMKEB-LSDHHAIUSA-N 1 2 349.475 3.657 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000500605293 1039052967 /nfs/dbraw/zinc/05/29/67/1039052967.db2.gz GVVPAGQVWMRPNO-ZACQAIPSSA-N 1 2 344.503 3.517 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000554200235 1039053641 /nfs/dbraw/zinc/05/36/41/1039053641.db2.gz WTDOFPANSDMSBC-KBXCAEBGSA-N 1 2 345.874 3.955 20 0 EHADLO CC(C)c1ncc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000552230665 1039096381 /nfs/dbraw/zinc/09/63/81/1039096381.db2.gz RVJYKAOXXVDIAC-HDJSIYSDSA-N 1 2 344.484 3.815 20 0 EHADLO CCc1nocc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000660101888 1039106334 /nfs/dbraw/zinc/10/63/34/1039106334.db2.gz SXMKKRGWKQXNDQ-UHFFFAOYSA-N 1 2 333.407 3.615 20 0 EHADLO CCc1nocc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000660101888 1039106338 /nfs/dbraw/zinc/10/63/38/1039106338.db2.gz SXMKKRGWKQXNDQ-UHFFFAOYSA-N 1 2 333.407 3.615 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667276064 1039120368 /nfs/dbraw/zinc/12/03/68/1039120368.db2.gz WPCJVBCRQAUCNS-APWZRJJASA-N 1 2 338.455 3.616 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667615450 1039123778 /nfs/dbraw/zinc/12/37/78/1039123778.db2.gz QCKWBNDLMMDMQJ-VIFPVBQESA-N 1 2 332.395 3.705 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667615450 1039123785 /nfs/dbraw/zinc/12/37/85/1039123785.db2.gz QCKWBNDLMMDMQJ-VIFPVBQESA-N 1 2 332.395 3.705 20 0 EHADLO COc1cccc(Nc2nn(C[N@@H+]3CCC[C@@H]3C)c(=S)s2)c1 ZINC000173522231 1039125791 /nfs/dbraw/zinc/12/57/91/1039125791.db2.gz SKUFLBGEMBCHMX-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO COc1cccc(Nc2nn(C[N@H+]3CCC[C@@H]3C)c(=S)s2)c1 ZINC000173522231 1039125800 /nfs/dbraw/zinc/12/58/00/1039125800.db2.gz SKUFLBGEMBCHMX-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000667274260 1039132765 /nfs/dbraw/zinc/13/27/65/1039132765.db2.gz DNUDPSLGNMPHAM-GOSISDBHSA-N 1 2 338.455 3.685 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000667274260 1039132777 /nfs/dbraw/zinc/13/27/77/1039132777.db2.gz DNUDPSLGNMPHAM-GOSISDBHSA-N 1 2 338.455 3.685 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000480088288 1039135632 /nfs/dbraw/zinc/13/56/32/1039135632.db2.gz SNMOZMWMROILAR-HUUCEWRRSA-N 1 2 336.439 3.996 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000668517237 1039277184 /nfs/dbraw/zinc/27/71/84/1039277184.db2.gz VCQMZBTUPDGPQV-INIZCTEOSA-N 1 2 341.430 3.556 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595953 1039297298 /nfs/dbraw/zinc/29/72/98/1039297298.db2.gz RDNIBHTWKDWPHD-ACJLOTCBSA-N 1 2 332.875 3.876 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595953 1039297316 /nfs/dbraw/zinc/29/73/16/1039297316.db2.gz RDNIBHTWKDWPHD-ACJLOTCBSA-N 1 2 332.875 3.876 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C)Cc1nnc(C)o1 ZINC000668519855 1039303131 /nfs/dbraw/zinc/30/31/31/1039303131.db2.gz DYLZUQSBKUUWRS-DHZHZOJOSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C)Cc1nnc(C)o1 ZINC000668519855 1039303141 /nfs/dbraw/zinc/30/31/41/1039303141.db2.gz DYLZUQSBKUUWRS-DHZHZOJOSA-N 1 2 325.334 3.932 20 0 EHADLO Cn1cc(Br)c(C[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000432811212 1039326867 /nfs/dbraw/zinc/32/68/67/1039326867.db2.gz CNUSERXIMXXCCW-UHFFFAOYSA-N 1 2 326.282 3.729 20 0 EHADLO Cn1cc(Br)c(C[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000432811212 1039326883 /nfs/dbraw/zinc/32/68/83/1039326883.db2.gz CNUSERXIMXXCCW-UHFFFAOYSA-N 1 2 326.282 3.729 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000488675728 1039334576 /nfs/dbraw/zinc/33/45/76/1039334576.db2.gz XINGKQMVDHPIKZ-ACJLOTCBSA-N 1 2 330.378 3.763 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000488675728 1039334595 /nfs/dbraw/zinc/33/45/95/1039334595.db2.gz XINGKQMVDHPIKZ-ACJLOTCBSA-N 1 2 330.378 3.763 20 0 EHADLO CS[C@@H](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000339209538 1039335926 /nfs/dbraw/zinc/33/59/26/1039335926.db2.gz AKCKUJUZFLKXAV-ZDUSSCGKSA-N 1 2 329.469 3.967 20 0 EHADLO C[C@H]1CO[C@H](c2noc([C@]3(C)C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923963058 1039337627 /nfs/dbraw/zinc/33/76/27/1039337627.db2.gz AXKQMDIOTQWIPO-RIFZZMRRSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@H](c2noc([C@]3(C)C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923963058 1039337650 /nfs/dbraw/zinc/33/76/50/1039337650.db2.gz AXKQMDIOTQWIPO-RIFZZMRRSA-N 1 2 339.439 3.639 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000364008227 1039361363 /nfs/dbraw/zinc/36/13/63/1039361363.db2.gz YYLYRTWTQIBWPI-QGZVFWFLSA-N 1 2 345.393 3.796 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000364008227 1039361371 /nfs/dbraw/zinc/36/13/71/1039361371.db2.gz YYLYRTWTQIBWPI-QGZVFWFLSA-N 1 2 345.393 3.796 20 0 EHADLO CCCOc1cccc2c(N[C@H](C)C(=O)N3CCCCC3)cc[nH+]c12 ZINC000478386319 1039407100 /nfs/dbraw/zinc/40/71/00/1039407100.db2.gz PJHLKJYKKLCAMW-OAHLLOKOSA-N 1 2 341.455 3.837 20 0 EHADLO c1c(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nnn1C1CC1 ZINC000906255213 1039412740 /nfs/dbraw/zinc/41/27/40/1039412740.db2.gz KTKBXGZBPMXFNI-OAQYLSRUSA-N 1 2 330.435 3.761 20 0 EHADLO c1c(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nnn1C1CC1 ZINC000906255213 1039412761 /nfs/dbraw/zinc/41/27/61/1039412761.db2.gz KTKBXGZBPMXFNI-OAQYLSRUSA-N 1 2 330.435 3.761 20 0 EHADLO CC[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687088 1039425274 /nfs/dbraw/zinc/42/52/74/1039425274.db2.gz BFTHGWJWQDIUFK-FMEYXAORSA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687088 1039425284 /nfs/dbraw/zinc/42/52/84/1039425284.db2.gz BFTHGWJWQDIUFK-FMEYXAORSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542684 1039462088 /nfs/dbraw/zinc/46/20/88/1039462088.db2.gz DIFHKGRIEKEGPK-WBVHZDCISA-N 1 2 341.459 3.664 20 0 EHADLO Cc1sc(NC(=O)NCc2ccn3cc[nH+]c3c2)nc1C(C)C ZINC000667368050 1039595880 /nfs/dbraw/zinc/59/58/80/1039595880.db2.gz DSNZINREIZCNKR-UHFFFAOYSA-N 1 2 329.429 3.544 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279938844 1039611637 /nfs/dbraw/zinc/61/16/37/1039611637.db2.gz XCPFGKLQIAARAP-HZPDHXFCSA-N 1 2 342.439 3.673 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279938844 1039611647 /nfs/dbraw/zinc/61/16/47/1039611647.db2.gz XCPFGKLQIAARAP-HZPDHXFCSA-N 1 2 342.439 3.673 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000667680455 1039612264 /nfs/dbraw/zinc/61/22/64/1039612264.db2.gz HLVVGFQAHIXCTA-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000667680455 1039612272 /nfs/dbraw/zinc/61/22/72/1039612272.db2.gz HLVVGFQAHIXCTA-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000667684483 1039617086 /nfs/dbraw/zinc/61/70/86/1039617086.db2.gz YDWWWYVAEYYOQV-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000667684483 1039617094 /nfs/dbraw/zinc/61/70/94/1039617094.db2.gz YDWWWYVAEYYOQV-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC(C)(C)O1 ZINC000480513847 1039639699 /nfs/dbraw/zinc/63/96/99/1039639699.db2.gz SISYNYDJTRGGDW-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC(C)(C)O1 ZINC000480513847 1039639707 /nfs/dbraw/zinc/63/97/07/1039639707.db2.gz SISYNYDJTRGGDW-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(Br)o1)C2 ZINC000569182910 1039650825 /nfs/dbraw/zinc/65/08/25/1039650825.db2.gz LIEMFMFMELXRRM-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(Br)o1)C2 ZINC000569182910 1039650840 /nfs/dbraw/zinc/65/08/40/1039650840.db2.gz LIEMFMFMELXRRM-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2cccc(N(C)C)c2)c1 ZINC000156255181 1039666216 /nfs/dbraw/zinc/66/62/16/1039666216.db2.gz OMAMHTDGANHNKT-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO Cc1c(C(=O)NCC(C)(C)n2cc[nH+]c2)oc2c1c(C)ccc2C ZINC000898901879 1039678944 /nfs/dbraw/zinc/67/89/44/1039678944.db2.gz OOQQEEZOKMXUFY-UHFFFAOYSA-N 1 2 325.412 3.720 20 0 EHADLO CC(C)(CNC(=O)c1ccccc1CCC(F)(F)F)n1cc[nH+]c1 ZINC000898904833 1039690566 /nfs/dbraw/zinc/69/05/66/1039690566.db2.gz KWDVLMMXPREPJV-UHFFFAOYSA-N 1 2 339.361 3.543 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)ccc21 ZINC000553062187 1039743334 /nfs/dbraw/zinc/74/33/34/1039743334.db2.gz IVEKLJKAIJOGEV-INIZCTEOSA-N 1 2 336.439 3.695 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NC1CCCCC1 ZINC000007910099 1039744018 /nfs/dbraw/zinc/74/40/18/1039744018.db2.gz RKMVYNGOCMBWJT-INIZCTEOSA-N 1 2 343.496 3.882 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NC1CCCCC1 ZINC000007910099 1039744031 /nfs/dbraw/zinc/74/40/31/1039744031.db2.gz RKMVYNGOCMBWJT-INIZCTEOSA-N 1 2 343.496 3.882 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667411106 1039775989 /nfs/dbraw/zinc/77/59/89/1039775989.db2.gz YCRQSVSLZWOUTP-LBPRGKRZSA-N 1 2 334.420 3.613 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667412567 1039783105 /nfs/dbraw/zinc/78/31/05/1039783105.db2.gz 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COCc1csc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000667511257 1040358566 /nfs/dbraw/zinc/35/85/66/1040358566.db2.gz HRZZFQKWBQOALS-UHFFFAOYSA-N 1 2 346.496 3.890 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000667511257 1040358587 /nfs/dbraw/zinc/35/85/87/1040358587.db2.gz HRZZFQKWBQOALS-UHFFFAOYSA-N 1 2 346.496 3.890 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000663908732 1040379020 /nfs/dbraw/zinc/37/90/20/1040379020.db2.gz XIPDLNGGBBFJTO-SFHLNBCPSA-N 1 2 345.446 3.826 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(OC2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000486824082 1040485013 /nfs/dbraw/zinc/48/50/13/1040485013.db2.gz YWIYCMWLHOVJHD-HNNXBMFYSA-N 1 2 348.512 3.774 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000433026787 1040495378 /nfs/dbraw/zinc/49/53/78/1040495378.db2.gz HVZKTMLMZYXVPA-UPCLLVRISA-N 1 2 343.492 3.563 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000433026787 1040495390 /nfs/dbraw/zinc/49/53/90/1040495390.db2.gz HVZKTMLMZYXVPA-UPCLLVRISA-N 1 2 343.492 3.563 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1sccc1Cl ZINC000512681635 1040505550 /nfs/dbraw/zinc/50/55/50/1040505550.db2.gz BSBQBFARJYZZJA-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1sccc1Cl ZINC000512681635 1040505567 /nfs/dbraw/zinc/50/55/67/1040505567.db2.gz BSBQBFARJYZZJA-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@@](=O)C1 ZINC000433034008 1040517212 /nfs/dbraw/zinc/51/72/12/1040517212.db2.gz XKNZTNNGFHFTPO-WHEQGISXSA-N 1 2 337.485 3.755 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@@](=O)C1 ZINC000433034008 1040517225 /nfs/dbraw/zinc/51/72/25/1040517225.db2.gz XKNZTNNGFHFTPO-WHEQGISXSA-N 1 2 337.485 3.755 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1csc2ccccc12 ZINC000109281495 1040534125 /nfs/dbraw/zinc/53/41/25/1040534125.db2.gz LWBHACOPAWUQRM-UHFFFAOYSA-N 1 2 325.437 3.918 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)nc2ccccc12 ZINC000109280901 1040534403 /nfs/dbraw/zinc/53/44/03/1040534403.db2.gz LWRJAKMLBZTZTK-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000433036952 1040537747 /nfs/dbraw/zinc/53/77/47/1040537747.db2.gz AQOHVEUQNRKMJT-ZLOXQWCVSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000433036952 1040537771 /nfs/dbraw/zinc/53/77/71/1040537771.db2.gz AQOHVEUQNRKMJT-ZLOXQWCVSA-N 1 2 335.444 3.737 20 0 EHADLO c1coc(-c2ncc(C[NH2+]Cc3ccn(-c4ccccc4)n3)s2)c1 ZINC000486961044 1040605799 /nfs/dbraw/zinc/60/57/99/1040605799.db2.gz BGMDJCZHTSAGRB-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)cs1 ZINC000667558690 1040634449 /nfs/dbraw/zinc/63/44/49/1040634449.db2.gz OMKGPKYVWGKNED-CQSZACIVSA-N 1 2 334.485 3.751 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)cs1 ZINC000667558690 1040634461 /nfs/dbraw/zinc/63/44/61/1040634461.db2.gz OMKGPKYVWGKNED-CQSZACIVSA-N 1 2 334.485 3.751 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)no1 ZINC000364303115 1040737321 /nfs/dbraw/zinc/73/73/21/1040737321.db2.gz MLUQIZDARDLZSP-QGZVFWFLSA-N 1 2 329.444 3.625 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000512742577 1040752907 /nfs/dbraw/zinc/75/29/07/1040752907.db2.gz ABLHZOGQAQRIEB-LSDHHAIUSA-N 1 2 339.483 3.777 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000512742577 1040752922 /nfs/dbraw/zinc/75/29/22/1040752922.db2.gz ABLHZOGQAQRIEB-LSDHHAIUSA-N 1 2 339.483 3.777 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CCCC1 ZINC000664005331 1040760533 /nfs/dbraw/zinc/76/05/33/1040760533.db2.gz NRLMNGXODJLSMG-MRXNPFEDSA-N 1 2 332.492 3.599 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CCCC1 ZINC000664005331 1040760546 /nfs/dbraw/zinc/76/05/46/1040760546.db2.gz NRLMNGXODJLSMG-MRXNPFEDSA-N 1 2 332.492 3.599 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(-c2ccco2)on1)c1ccccc1 ZINC000411395055 1040796456 /nfs/dbraw/zinc/79/64/56/1040796456.db2.gz VJRIDBYYDQOMTJ-UGSOOPFHSA-N 1 2 340.379 3.575 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccc(C)c(F)c3)CC2)s1 ZINC000433130577 1040852379 /nfs/dbraw/zinc/85/23/79/1040852379.db2.gz AOCPITSZNSIMNI-UHFFFAOYSA-N 1 2 347.459 3.717 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)cc2c1 ZINC000668768082 1040854736 /nfs/dbraw/zinc/85/47/36/1040854736.db2.gz NBSKIEBYXSEPEK-XHDPSFHLSA-N 1 2 343.345 3.983 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)cc2c1 ZINC000668768082 1040854751 /nfs/dbraw/zinc/85/47/51/1040854751.db2.gz NBSKIEBYXSEPEK-XHDPSFHLSA-N 1 2 343.345 3.983 20 0 EHADLO CCCn1ccnc1C(=O)c1ccnc(NCc2cc(C)[nH+]c(C)c2)c1 ZINC000664025694 1040860923 /nfs/dbraw/zinc/86/09/23/1040860923.db2.gz MUDPJYSARBODPZ-UHFFFAOYSA-N 1 2 349.438 3.543 20 0 EHADLO OC[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1c(F)cccc1F ZINC000487313179 1040918606 /nfs/dbraw/zinc/91/86/06/1040918606.db2.gz AMENFZYNPOKLIO-CYBMUJFWSA-N 1 2 336.363 3.505 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000629449165 1040980876 /nfs/dbraw/zinc/98/08/76/1040980876.db2.gz YDRGKHWMLFJQFI-OAHLLOKOSA-N 1 2 335.451 3.836 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000629449165 1040980852 /nfs/dbraw/zinc/98/08/52/1040980852.db2.gz YDRGKHWMLFJQFI-OAHLLOKOSA-N 1 2 335.451 3.836 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3cccc(Cl)c3Cl)[nH+]c12 ZINC000586750001 1040994745 /nfs/dbraw/zinc/99/47/45/1040994745.db2.gz LEZRGSKDXIMPLH-UHFFFAOYSA-N 1 2 348.233 3.808 20 0 EHADLO Cc1cc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000500307593 1041014583 /nfs/dbraw/zinc/01/45/83/1041014583.db2.gz UTNVJYGJHURLOQ-UHFFFAOYSA-N 1 2 325.195 3.526 20 0 EHADLO O=C(C1CCCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000586838778 1041035075 /nfs/dbraw/zinc/03/50/75/1041035075.db2.gz SWSDKWFIWTVKAE-DHZHZOJOSA-N 1 2 326.484 3.814 20 0 EHADLO O[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1c(F)cccc1Cl ZINC000783257031 1041072164 /nfs/dbraw/zinc/07/21/64/1041072164.db2.gz ZCBCEDZJANYJLW-NVXWUHKLSA-N 1 2 345.805 3.615 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000481562303 1041080545 /nfs/dbraw/zinc/08/05/45/1041080545.db2.gz CATNPZRJCNHBHU-IBGZPJMESA-N 1 2 341.426 3.540 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364387021 1041082893 /nfs/dbraw/zinc/08/28/93/1041082893.db2.gz PERMEHJWIYPILZ-IBGZPJMESA-N 1 2 345.446 3.771 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](C)C2)c(Br)c1 ZINC000481582619 1041114588 /nfs/dbraw/zinc/11/45/88/1041114588.db2.gz SYJHDLVEVSPXIP-CYBMUJFWSA-N 1 2 339.277 3.818 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](C)C2)c(Br)c1 ZINC000481582619 1041114594 /nfs/dbraw/zinc/11/45/94/1041114594.db2.gz SYJHDLVEVSPXIP-CYBMUJFWSA-N 1 2 339.277 3.818 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000571056882 1041170754 /nfs/dbraw/zinc/17/07/54/1041170754.db2.gz GCOXFTMYBIZFES-SUMDDJOVSA-N 1 2 325.456 3.506 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000571056882 1041170765 /nfs/dbraw/zinc/17/07/65/1041170765.db2.gz GCOXFTMYBIZFES-SUMDDJOVSA-N 1 2 325.456 3.506 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858396 1041180273 /nfs/dbraw/zinc/18/02/73/1041180273.db2.gz MTWCGLUZLFCEEQ-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858396 1041180285 /nfs/dbraw/zinc/18/02/85/1041180285.db2.gz MTWCGLUZLFCEEQ-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222626 1041235668 /nfs/dbraw/zinc/23/56/68/1041235668.db2.gz HRMHCYVUZNSBEZ-CHWSQXEVSA-N 1 2 340.452 3.589 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222626 1041235681 /nfs/dbraw/zinc/23/56/81/1041235681.db2.gz HRMHCYVUZNSBEZ-CHWSQXEVSA-N 1 2 340.452 3.589 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1C ZINC000512916961 1041236769 /nfs/dbraw/zinc/23/67/69/1041236769.db2.gz NHMGYCUONOCGLY-SZVBFZGTSA-N 1 2 337.467 3.648 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433318294 1041273664 /nfs/dbraw/zinc/27/36/64/1041273664.db2.gz LDNJNXZWZGNZNH-JSGCOSHPSA-N 1 2 335.835 3.810 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433318294 1041273682 /nfs/dbraw/zinc/27/36/82/1041273682.db2.gz LDNJNXZWZGNZNH-JSGCOSHPSA-N 1 2 335.835 3.810 20 0 EHADLO CCC[N@H+](Cc1conc1CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000660431099 1041303207 /nfs/dbraw/zinc/30/32/07/1041303207.db2.gz HWAKBRODLZOSDY-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1conc1CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000660431099 1041303220 /nfs/dbraw/zinc/30/32/20/1041303220.db2.gz HWAKBRODLZOSDY-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO Cc1cccc(C(NC(=O)CCc2[nH]cc[nH+]2)c2cccc(C)c2)c1 ZINC000500425598 1041436720 /nfs/dbraw/zinc/43/67/20/1041436720.db2.gz URIYTCIBYMCFAG-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000511810350 1041640830 /nfs/dbraw/zinc/64/08/30/1041640830.db2.gz NXNFDJQCEBSAPO-SOUVJXGZSA-N 1 2 329.362 3.883 20 0 EHADLO CC[N@H+](Cc1ncsc1Br)[C@H]1CCOC(C)(C)C1 ZINC000660563966 1041675007 /nfs/dbraw/zinc/67/50/07/1041675007.db2.gz QAOWQVTZVCLKHL-JTQLQIEISA-N 1 2 333.295 3.685 20 0 EHADLO CC[N@@H+](Cc1ncsc1Br)[C@H]1CCOC(C)(C)C1 ZINC000660563966 1041675008 /nfs/dbraw/zinc/67/50/08/1041675008.db2.gz QAOWQVTZVCLKHL-JTQLQIEISA-N 1 2 333.295 3.685 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000647693202 1041690893 /nfs/dbraw/zinc/69/08/93/1041690893.db2.gz BHKBWGOEFDHVMI-QGZVFWFLSA-N 1 2 349.544 3.824 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000660584373 1041705862 /nfs/dbraw/zinc/70/58/62/1041705862.db2.gz NODOASUOGKNWGD-HOTGVXAUSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000660584373 1041705867 /nfs/dbraw/zinc/70/58/67/1041705867.db2.gz NODOASUOGKNWGD-HOTGVXAUSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1ccc(COc2ccc(CN3CCn4c[nH+]cc4C3)cc2)cc1 ZINC000660582852 1041707222 /nfs/dbraw/zinc/70/72/22/1041707222.db2.gz YJQOOVYISIWAGR-UHFFFAOYSA-N 1 2 337.398 3.617 20 0 EHADLO COc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1Cl ZINC000660668024 1041763184 /nfs/dbraw/zinc/76/31/84/1041763184.db2.gz BQGAUXJYXRLCRE-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO COc1cccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1Cl ZINC000660668024 1041763187 /nfs/dbraw/zinc/76/31/87/1041763187.db2.gz BQGAUXJYXRLCRE-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000660707350 1041785123 /nfs/dbraw/zinc/78/51/23/1041785123.db2.gz GEJULENTOPBISA-LRDDRELGSA-N 1 2 337.851 3.752 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000660707350 1041785125 /nfs/dbraw/zinc/78/51/25/1041785125.db2.gz GEJULENTOPBISA-LRDDRELGSA-N 1 2 337.851 3.752 20 0 EHADLO COCC[C@H]([NH2+]Cc1coc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000660734611 1041791995 /nfs/dbraw/zinc/79/19/95/1041791995.db2.gz AZMNAZAEGDYIRV-HNNXBMFYSA-N 1 2 328.334 3.869 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@H]3CCOC4(CCCC4)C3)[nH+]cn2)C1 ZINC000301704207 1041847969 /nfs/dbraw/zinc/84/79/69/1041847969.db2.gz RIEWVFRDCDWTSE-HOTGVXAUSA-N 1 2 330.476 3.617 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@H]3CCOC4(CCCC4)C3)nc[nH+]2)C1 ZINC000301704207 1041847981 /nfs/dbraw/zinc/84/79/81/1041847981.db2.gz RIEWVFRDCDWTSE-HOTGVXAUSA-N 1 2 330.476 3.617 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661162468 1041978145 /nfs/dbraw/zinc/97/81/45/1041978145.db2.gz RCBGBAQXTKDSPT-CQSZACIVSA-N 1 2 340.423 3.689 20 0 EHADLO COc1ccccc1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001126055909 1042034695 /nfs/dbraw/zinc/03/46/95/1042034695.db2.gz XOJRSJYNOJDTRM-IIBYNOLFSA-N 1 2 349.434 3.749 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(Cl)c1 ZINC000613783591 1042082251 /nfs/dbraw/zinc/08/22/51/1042082251.db2.gz YQRCXKATVPDHME-CHWSQXEVSA-N 1 2 333.819 3.603 20 0 EHADLO CC(C)(CC(F)(F)F)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000613783355 1042082514 /nfs/dbraw/zinc/08/25/14/1042082514.db2.gz WDGXDLFJYWAAQO-CYBMUJFWSA-N 1 2 339.361 3.779 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cscn1 ZINC000661418061 1042110622 /nfs/dbraw/zinc/11/06/22/1042110622.db2.gz FBRSOQHJKWNNBU-NEPJUHHUSA-N 1 2 337.876 3.667 20 0 EHADLO CC[C@@H](NC(=O)C[NH2+][C@H](C)c1cscn1)c1ccc(Cl)cc1 ZINC000661419947 1042112683 /nfs/dbraw/zinc/11/26/83/1042112683.db2.gz GRDTVDNZWIXISJ-BXUZGUMPSA-N 1 2 337.876 3.715 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cscn1 ZINC000661424177 1042113993 /nfs/dbraw/zinc/11/39/93/1042113993.db2.gz OGWTVPNDYVEXCR-CABCVRRESA-N 1 2 343.496 3.621 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435392 1042121661 /nfs/dbraw/zinc/12/16/61/1042121661.db2.gz GDBSJSUAYLMHAV-QGZVFWFLSA-N 1 2 339.501 3.802 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435392 1042121664 /nfs/dbraw/zinc/12/16/64/1042121664.db2.gz GDBSJSUAYLMHAV-QGZVFWFLSA-N 1 2 339.501 3.802 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1)C1CC1 ZINC000661445392 1042123562 /nfs/dbraw/zinc/12/35/62/1042123562.db2.gz GRZBOCXCZNXJFR-FOIQADDNSA-N 1 2 342.483 3.986 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1)C1CC1 ZINC000661445392 1042123566 /nfs/dbraw/zinc/12/35/66/1042123566.db2.gz GRZBOCXCZNXJFR-FOIQADDNSA-N 1 2 342.483 3.986 20 0 EHADLO Cc1cccn2c(=O)cc(C[N@@H+]3CC4(CCCC4)[C@@H]3c3ccco3)nc12 ZINC000661446575 1042125232 /nfs/dbraw/zinc/12/52/32/1042125232.db2.gz PWUQKBHGSCHXJY-IBGZPJMESA-N 1 2 349.434 3.713 20 0 EHADLO Cc1cccn2c(=O)cc(C[N@H+]3CC4(CCCC4)[C@@H]3c3ccco3)nc12 ZINC000661446575 1042125236 /nfs/dbraw/zinc/12/52/36/1042125236.db2.gz PWUQKBHGSCHXJY-IBGZPJMESA-N 1 2 349.434 3.713 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511815 1042165085 /nfs/dbraw/zinc/16/50/85/1042165085.db2.gz MVTRKGUATWMIDI-GUYCJALGSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511815 1042165089 /nfs/dbraw/zinc/16/50/89/1042165089.db2.gz MVTRKGUATWMIDI-GUYCJALGSA-N 1 2 344.455 3.607 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661538009 1042177351 /nfs/dbraw/zinc/17/73/51/1042177351.db2.gz XUCKBTXLQJZLJB-KBPBESRZSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661538009 1042177352 /nfs/dbraw/zinc/17/73/52/1042177352.db2.gz XUCKBTXLQJZLJB-KBPBESRZSA-N 1 2 343.393 3.574 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cn1 ZINC000661561847 1042190690 /nfs/dbraw/zinc/19/06/90/1042190690.db2.gz NFQJLASVVZNKIQ-KRWDZBQOSA-N 1 2 329.444 3.585 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cn1 ZINC000661561847 1042190693 /nfs/dbraw/zinc/19/06/93/1042190693.db2.gz NFQJLASVVZNKIQ-KRWDZBQOSA-N 1 2 329.444 3.585 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)CC[S@@]1=O ZINC000473128707 1042239994 /nfs/dbraw/zinc/23/99/94/1042239994.db2.gz URPQRGPDUXQXQO-QHCPKHFHSA-N 1 2 332.513 3.908 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)CC[S@@]1=O ZINC000473128707 1042240002 /nfs/dbraw/zinc/24/00/02/1042240002.db2.gz URPQRGPDUXQXQO-QHCPKHFHSA-N 1 2 332.513 3.908 20 0 EHADLO C[C@@H]([NH2+]C1(c2ccccc2Br)CCC1)c1nccn1C ZINC000652218671 1042274475 /nfs/dbraw/zinc/27/44/75/1042274475.db2.gz WHLNRQWAAOOVKM-GFCCVEGCSA-N 1 2 334.261 3.913 20 0 EHADLO C[C@@H]([NH2+]C1(c2ccccc2Br)CCC1)c1ccncn1 ZINC000652219038 1042275757 /nfs/dbraw/zinc/27/57/57/1042275757.db2.gz QSAJRTZIWLNRHW-GFCCVEGCSA-N 1 2 332.245 3.969 20 0 EHADLO CC[C@H](OCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000652235786 1042282393 /nfs/dbraw/zinc/28/23/93/1042282393.db2.gz SJXXHPBBLBXZHE-OALUTQOASA-N 1 2 336.439 3.652 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590999 1042305734 /nfs/dbraw/zinc/30/57/34/1042305734.db2.gz GCPMMNJBMCRUJA-KRWDZBQOSA-N 1 2 328.412 3.607 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590999 1042305738 /nfs/dbraw/zinc/30/57/38/1042305738.db2.gz GCPMMNJBMCRUJA-KRWDZBQOSA-N 1 2 328.412 3.607 20 0 EHADLO FC(F)(NCc1c[nH+]cn1CC1CCC1)c1ccnc(Cl)c1 ZINC001161530133 1042425488 /nfs/dbraw/zinc/42/54/88/1042425488.db2.gz UPHCLHHBITWUQQ-UHFFFAOYSA-N 1 2 326.778 3.571 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000661996974 1042451563 /nfs/dbraw/zinc/45/15/63/1042451563.db2.gz HWUZCVOTQWGTGY-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000661996974 1042451564 /nfs/dbraw/zinc/45/15/64/1042451564.db2.gz HWUZCVOTQWGTGY-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662044089 1042478667 /nfs/dbraw/zinc/47/86/67/1042478667.db2.gz PSBISIKVNIDGKC-UHFFFAOYSA-N 1 2 341.455 3.790 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662062040 1042490129 /nfs/dbraw/zinc/49/01/29/1042490129.db2.gz BDBUYEFYLYKTHQ-GDBMZVCRSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662062040 1042490131 /nfs/dbraw/zinc/49/01/31/1042490131.db2.gz BDBUYEFYLYKTHQ-GDBMZVCRSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000184390169 1042498515 /nfs/dbraw/zinc/49/85/15/1042498515.db2.gz OPIXIAPJELCIIO-YNEHKIRRSA-N 1 2 335.498 3.607 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)[nH]1 ZINC000662153269 1042548702 /nfs/dbraw/zinc/54/87/02/1042548702.db2.gz CHBARRDSQDRCLR-MRXNPFEDSA-N 1 2 338.377 3.729 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)[nH]1 ZINC000662153269 1042548704 /nfs/dbraw/zinc/54/87/04/1042548704.db2.gz CHBARRDSQDRCLR-MRXNPFEDSA-N 1 2 338.377 3.729 20 0 EHADLO CC[C@@H](OCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223546 1042614544 /nfs/dbraw/zinc/61/45/44/1042614544.db2.gz OXRHLVYKUXQJEL-JKSUJKDBSA-N 1 2 331.378 3.808 20 0 EHADLO CC[C@@H](OCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223546 1042614549 /nfs/dbraw/zinc/61/45/49/1042614549.db2.gz OXRHLVYKUXQJEL-JKSUJKDBSA-N 1 2 331.378 3.808 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000186542717 1042668977 /nfs/dbraw/zinc/66/89/77/1042668977.db2.gz VZGNDUDHWRQGKN-UHFFFAOYSA-N 1 2 336.420 3.629 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cs1 ZINC000165207938 1042670108 /nfs/dbraw/zinc/67/01/08/1042670108.db2.gz RGNYIKIHPLEKFS-NWDGAFQWSA-N 1 2 333.457 3.660 20 0 EHADLO CC(C)c1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000663319147 1042678849 /nfs/dbraw/zinc/67/88/49/1042678849.db2.gz JSWYZIDHNIFRGW-UHFFFAOYSA-N 1 2 325.456 3.778 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CCO1 ZINC000662370998 1042694926 /nfs/dbraw/zinc/69/49/26/1042694926.db2.gz JJTJTOXIQUGXHZ-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CCO1 ZINC000662370998 1042694929 /nfs/dbraw/zinc/69/49/29/1042694929.db2.gz JJTJTOXIQUGXHZ-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CCO1 ZINC000662371001 1042695525 /nfs/dbraw/zinc/69/55/25/1042695525.db2.gz JJTJTOXIQUGXHZ-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CCO1 ZINC000662371001 1042695527 /nfs/dbraw/zinc/69/55/27/1042695527.db2.gz JJTJTOXIQUGXHZ-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1ccc(Br)cc1Cl ZINC000662383387 1042697811 /nfs/dbraw/zinc/69/78/11/1042697811.db2.gz ZIPJADONLCOKSE-UHFFFAOYSA-N 1 2 343.652 3.525 20 0 EHADLO CC12CC(C1)C[N@H+]2CC(=O)Nc1ccc(Br)cc1Cl ZINC000662383387 1042697815 /nfs/dbraw/zinc/69/78/15/1042697815.db2.gz ZIPJADONLCOKSE-UHFFFAOYSA-N 1 2 343.652 3.525 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](Cc3cccnc3)C(C)C)o2)c(C)o1 ZINC000162377644 1042725126 /nfs/dbraw/zinc/72/51/26/1042725126.db2.gz XNVSMLXVBIEPHP-UHFFFAOYSA-N 1 2 326.400 3.752 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](Cc3cccnc3)C(C)C)o2)c(C)o1 ZINC000162377644 1042725129 /nfs/dbraw/zinc/72/51/29/1042725129.db2.gz XNVSMLXVBIEPHP-UHFFFAOYSA-N 1 2 326.400 3.752 20 0 EHADLO Cc1cnn(CC[N@@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)c1 ZINC000661736937 1042731114 /nfs/dbraw/zinc/73/11/14/1042731114.db2.gz QWKYKEUPTFCXTA-QGZVFWFLSA-N 1 2 333.863 3.697 20 0 EHADLO Cc1cnn(CC[N@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)c1 ZINC000661736937 1042731119 /nfs/dbraw/zinc/73/11/19/1042731119.db2.gz QWKYKEUPTFCXTA-QGZVFWFLSA-N 1 2 333.863 3.697 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000663350760 1042743131 /nfs/dbraw/zinc/74/31/31/1042743131.db2.gz FIKFHKJAIVKZDC-QGZVFWFLSA-N 1 2 337.398 3.797 20 0 EHADLO CC1(C)CC[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000278867071 1042762600 /nfs/dbraw/zinc/76/26/00/1042762600.db2.gz UXOWPNBYGGFFJG-KRWDZBQOSA-N 1 2 339.439 3.783 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)cc1Cl ZINC000066962488 1042883402 /nfs/dbraw/zinc/88/34/02/1042883402.db2.gz IYFLADJEPLTHIX-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C2CC2)C2CC2)c(C)c1 ZINC000636959530 1042895348 /nfs/dbraw/zinc/89/53/48/1042895348.db2.gz MUANZPOGKBRSQH-IBGZPJMESA-N 1 2 338.455 3.578 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NCc3c(CO)cnc(C)c3O)c2)cc1 ZINC001167819693 1042899032 /nfs/dbraw/zinc/89/90/32/1042899032.db2.gz YSQOBJHCBKORSO-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272509 1042908396 /nfs/dbraw/zinc/90/83/96/1042908396.db2.gz FDLTWUDXHICJMJ-GOEBONIOSA-N 1 2 327.428 3.875 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccsc1)c1ccc2c(c1)CCCC2 ZINC000007806300 1042920232 /nfs/dbraw/zinc/92/02/32/1042920232.db2.gz PFUJFVQMCRNVAL-OAHLLOKOSA-N 1 2 342.508 3.936 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccsc1)c1ccc2c(c1)CCCC2 ZINC000007806300 1042920234 /nfs/dbraw/zinc/92/02/34/1042920234.db2.gz PFUJFVQMCRNVAL-OAHLLOKOSA-N 1 2 342.508 3.936 20 0 EHADLO CC(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303472164 1042933515 /nfs/dbraw/zinc/93/35/15/1042933515.db2.gz IYTQUJIBBYGPOC-OAHLLOKOSA-N 1 2 326.843 3.606 20 0 EHADLO CC(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303472164 1042933516 /nfs/dbraw/zinc/93/35/16/1042933516.db2.gz IYTQUJIBBYGPOC-OAHLLOKOSA-N 1 2 326.843 3.606 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942714 1043056254 /nfs/dbraw/zinc/05/62/54/1043056254.db2.gz YEPBXWCLJBQSNM-VXGBXAGGSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942714 1043056268 /nfs/dbraw/zinc/05/62/68/1043056268.db2.gz YEPBXWCLJBQSNM-VXGBXAGGSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H](CC(=O)NCCCNc1cccc[nH+]1)c1c[nH]c2ccccc21 ZINC000279010122 1043185307 /nfs/dbraw/zinc/18/53/07/1043185307.db2.gz LNDNAIKRXOCZQN-OAHLLOKOSA-N 1 2 336.439 3.675 20 0 EHADLO COCCOCC[N@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000344070942 1043209201 /nfs/dbraw/zinc/20/92/01/1043209201.db2.gz MWBBIGZBLFVFJP-UHFFFAOYSA-N 1 2 340.876 3.558 20 0 EHADLO COCCOCC[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000344070942 1043209207 /nfs/dbraw/zinc/20/92/07/1043209207.db2.gz MWBBIGZBLFVFJP-UHFFFAOYSA-N 1 2 340.876 3.558 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279042783 1043238521 /nfs/dbraw/zinc/23/85/21/1043238521.db2.gz YBYOUHOGZSXQPP-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO CCCC1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000344095576 1043246656 /nfs/dbraw/zinc/24/66/56/1043246656.db2.gz GCGPMFMZQKWMTK-UHFFFAOYSA-N 1 2 344.434 3.781 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](CO)C[C@H]3C)cs2)cc1 ZINC000344127282 1043295881 /nfs/dbraw/zinc/29/58/81/1043295881.db2.gz JMCOEEHLNDVTRT-HZPDHXFCSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](CO)C[C@H]3C)cs2)cc1 ZINC000344127282 1043295891 /nfs/dbraw/zinc/29/58/91/1043295891.db2.gz JMCOEEHLNDVTRT-HZPDHXFCSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2oc3ccccc3c2C)c1Br ZINC000279122265 1043389357 /nfs/dbraw/zinc/38/93/57/1043389357.db2.gz LURHZEOIRMDYRK-UHFFFAOYSA-N 1 2 348.244 3.835 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344199149 1043412046 /nfs/dbraw/zinc/41/20/46/1043412046.db2.gz LGUHYAQMIJUOSY-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279154858 1043457212 /nfs/dbraw/zinc/45/72/12/1043457212.db2.gz FQLVIHOJXVFPHO-UHFFFAOYSA-N 1 2 326.227 3.698 20 0 EHADLO Cc1nc(N[C@@H]2CCc3c2cccc3O)c(Br)c(C)[nH+]1 ZINC000663674651 1043474059 /nfs/dbraw/zinc/47/40/59/1043474059.db2.gz SOQZYBQPRZJSEX-GFCCVEGCSA-N 1 2 334.217 3.661 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344235351 1043496136 /nfs/dbraw/zinc/49/61/36/1043496136.db2.gz KKLYLSWLEQRHBS-QGZVFWFLSA-N 1 2 346.858 3.949 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344235351 1043496142 /nfs/dbraw/zinc/49/61/42/1043496142.db2.gz KKLYLSWLEQRHBS-QGZVFWFLSA-N 1 2 346.858 3.949 20 0 EHADLO c1cc2c(o1)CCC[N@@H+](Cc1nn(-c3ccccc3)c3c1CCC3)C2 ZINC000344242269 1043514082 /nfs/dbraw/zinc/51/40/82/1043514082.db2.gz YCWVZECWQKFZHY-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO c1cc2c(o1)CCC[N@H+](Cc1nn(-c3ccccc3)c3c1CCC3)C2 ZINC000344242269 1043514094 /nfs/dbraw/zinc/51/40/94/1043514094.db2.gz YCWVZECWQKFZHY-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cncn1-c1ccccc1 ZINC000162772969 1043778016 /nfs/dbraw/zinc/77/80/16/1043778016.db2.gz ZDOWZPOPOYRWDA-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C)c(Br)c1 ZINC000512209590 1044160404 /nfs/dbraw/zinc/16/04/04/1044160404.db2.gz AWIUIXUIXQGHGH-CYBMUJFWSA-N 1 2 339.277 3.961 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2C)c(Br)c1 ZINC000512209590 1044160409 /nfs/dbraw/zinc/16/04/09/1044160409.db2.gz AWIUIXUIXQGHGH-CYBMUJFWSA-N 1 2 339.277 3.961 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279539526 1044197937 /nfs/dbraw/zinc/19/79/37/1044197937.db2.gz PYGCDNRVLAIQFN-KBPBESRZSA-N 1 2 337.427 3.596 20 0 EHADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccoc1 ZINC000344635732 1044225677 /nfs/dbraw/zinc/22/56/77/1044225677.db2.gz XLPXBONKAGXZKY-FQEVSTJZSA-N 1 2 332.252 3.826 20 0 EHADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccoc1 ZINC000344635732 1044225694 /nfs/dbraw/zinc/22/56/94/1044225694.db2.gz XLPXBONKAGXZKY-FQEVSTJZSA-N 1 2 332.252 3.826 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(Oc2cccnc2)cc1 ZINC000344711438 1044325332 /nfs/dbraw/zinc/32/53/32/1044325332.db2.gz DOGXGZPIXCGGHS-UHFFFAOYSA-N 1 2 349.394 3.503 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn12)c1ccc(C)o1 ZINC000344760112 1044390411 /nfs/dbraw/zinc/39/04/11/1044390411.db2.gz ARPXDEFHFAKGJZ-CYBMUJFWSA-N 1 2 348.472 3.601 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279718770 1044467578 /nfs/dbraw/zinc/46/75/78/1044467578.db2.gz MCYWBMZYRFYPKR-CYBMUJFWSA-N 1 2 337.439 3.960 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)c1 ZINC000051376722 1044493405 /nfs/dbraw/zinc/49/34/05/1044493405.db2.gz VMUNWFBFJOXQOD-UHFFFAOYSA-N 1 2 349.478 3.647 20 0 EHADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1nccs1 ZINC000014193414 1044636442 /nfs/dbraw/zinc/63/64/42/1044636442.db2.gz SBGRRVVYQUNBCX-UHFFFAOYSA-N 1 2 337.448 3.784 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279804578 1044677629 /nfs/dbraw/zinc/67/76/29/1044677629.db2.gz FCYJPNDYXMCYLD-VQIMIIECSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000344909140 1044684914 /nfs/dbraw/zinc/68/49/14/1044684914.db2.gz QGSAWEQHDJYZCT-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1=O ZINC000344972577 1044759218 /nfs/dbraw/zinc/75/92/18/1044759218.db2.gz GQYGKSWRPJQENU-LSDHHAIUSA-N 1 2 349.434 3.546 20 0 EHADLO CCCCC[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000620565533 1125595575 /nfs/dbraw/zinc/59/55/75/1125595575.db2.gz UIOBAAMJLKDMGX-MRXNPFEDSA-N 1 2 326.444 3.842 20 0 EHADLO C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCc2ccccc21 ZINC000153749983 1125656559 /nfs/dbraw/zinc/65/65/59/1125656559.db2.gz IJKMGCXSRPSNHB-JOCHJYFZSA-N 1 2 349.478 3.592 20 0 EHADLO O=C(Nc1n[nH]c2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000154329560 1125712129 /nfs/dbraw/zinc/71/21/29/1125712129.db2.gz ZDZJQFVCAVDMCW-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000154728813 1125752933 /nfs/dbraw/zinc/75/29/33/1125752933.db2.gz SDSDWMYMXACNIA-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO Cc1cc(OCCCC(=O)N(C)CCCn2cc[nH+]c2)ccc1Cl ZINC000154971704 1125771849 /nfs/dbraw/zinc/77/18/49/1125771849.db2.gz JATHMXKTOGBFKO-UHFFFAOYSA-N 1 2 349.862 3.553 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000078640306 1129567971 /nfs/dbraw/zinc/56/79/71/1129567971.db2.gz WZAJMJLLDAUYPS-WDEREUQCSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000078640306 1129567975 /nfs/dbraw/zinc/56/79/75/1129567975.db2.gz WZAJMJLLDAUYPS-WDEREUQCSA-N 1 2 347.322 3.636 20 0 EHADLO CC[N@H+](CC(=O)N1CC2(C1)CCCCC2)Cc1ccccc1Cl ZINC000622495683 1126710749 /nfs/dbraw/zinc/71/07/49/1126710749.db2.gz DHBUZKMODAXDHB-UHFFFAOYSA-N 1 2 334.891 3.955 20 0 EHADLO CC[N@@H+](CC(=O)N1CC2(C1)CCCCC2)Cc1ccccc1Cl ZINC000622495683 1126710754 /nfs/dbraw/zinc/71/07/54/1126710754.db2.gz DHBUZKMODAXDHB-UHFFFAOYSA-N 1 2 334.891 3.955 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000154799045 1126776344 /nfs/dbraw/zinc/77/63/44/1126776344.db2.gz JNGKYZSXTIZEKL-UHFFFAOYSA-N 1 2 331.847 3.507 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)Cc1cccc(OC)c1 ZINC000336877870 1126814292 /nfs/dbraw/zinc/81/42/92/1126814292.db2.gz YJJXBHLEVSASCM-UHFFFAOYSA-N 1 2 327.424 3.929 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000336877870 1126814295 /nfs/dbraw/zinc/81/42/95/1126814295.db2.gz YJJXBHLEVSASCM-UHFFFAOYSA-N 1 2 327.424 3.929 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1c(F)cccc1Cl ZINC000175020275 1126865200 /nfs/dbraw/zinc/86/52/00/1126865200.db2.gz GXVGDKDARSFQEY-MNOVXSKESA-N 1 2 340.851 3.896 20 0 EHADLO CCCCOc1ccc([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1 ZINC000671299634 1126881887 /nfs/dbraw/zinc/88/18/87/1126881887.db2.gz RRAHHSPAADFXCC-MRXNPFEDSA-N 1 2 343.471 3.862 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000623239030 1126901908 /nfs/dbraw/zinc/90/19/08/1126901908.db2.gz SGSCYCCXQPTOLM-UHFFFAOYSA-N 1 2 345.406 3.845 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000623251490 1126905902 /nfs/dbraw/zinc/90/59/02/1126905902.db2.gz KZYSPVPSGGLXRA-NRFANRHFSA-N 1 2 345.446 3.838 20 0 EHADLO C[C@H](C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265640 1126907052 /nfs/dbraw/zinc/90/70/52/1126907052.db2.gz LZFHGUHHVYQSSE-RISCZKNCSA-N 1 2 329.893 3.782 20 0 EHADLO C[C@H](C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265640 1126907059 /nfs/dbraw/zinc/90/70/59/1126907059.db2.gz LZFHGUHHVYQSSE-RISCZKNCSA-N 1 2 329.893 3.782 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296662 1126910334 /nfs/dbraw/zinc/91/03/34/1126910334.db2.gz NBSBXGWZAUCTTG-AEFFLSMTSA-N 1 2 345.874 3.797 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000623300331 1126910776 /nfs/dbraw/zinc/91/07/76/1126910776.db2.gz OQURQIHJHWEOOW-VIFPVBQESA-N 1 2 344.629 3.588 20 0 EHADLO COc1ccc(N(C(=O)CCCn2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000623325974 1126917293 /nfs/dbraw/zinc/91/72/93/1126917293.db2.gz UBPMJQRXRJMFOM-OAHLLOKOSA-N 1 2 327.428 3.504 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cccc4c3OCCO4)co2)cc1 ZINC000072927155 1126935652 /nfs/dbraw/zinc/93/56/52/1126935652.db2.gz MADFALMSDAISRL-UHFFFAOYSA-N 1 2 336.391 3.711 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000073054345 1126992461 /nfs/dbraw/zinc/99/24/61/1126992461.db2.gz VOIXKGDLANTKBO-QGZVFWFLSA-N 1 2 349.434 3.594 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000623659617 1127007170 /nfs/dbraw/zinc/00/71/70/1127007170.db2.gz FBWHSCQIKBNHFL-UHFFFAOYSA-N 1 2 347.409 3.763 20 0 EHADLO FC1(F)C[C@@]12CC[N@H+](Cc1ccnc(Br)c1Cl)C2 ZINC001238385586 1127037803 /nfs/dbraw/zinc/03/78/03/1127037803.db2.gz VACIGDGKGUIAAK-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@@]12CC[N@@H+](Cc1ccnc(Br)c1Cl)C2 ZINC001238385586 1127037806 /nfs/dbraw/zinc/03/78/06/1127037806.db2.gz VACIGDGKGUIAAK-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cscc1Br ZINC000349999506 1127059608 /nfs/dbraw/zinc/05/96/08/1127059608.db2.gz CWRDSQWYSQLMES-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1c(C2CC2)nc2sccn12 ZINC000180498241 1127166819 /nfs/dbraw/zinc/16/68/19/1127166819.db2.gz SZAZYWWYSZOMJB-UHFFFAOYSA-N 1 2 345.468 3.823 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(C2CC2)nc2sccn12 ZINC000180498241 1127166822 /nfs/dbraw/zinc/16/68/22/1127166822.db2.gz SZAZYWWYSZOMJB-UHFFFAOYSA-N 1 2 345.468 3.823 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000623799250 1127180486 /nfs/dbraw/zinc/18/04/86/1127180486.db2.gz SWFXOXIDGBGNGI-ZDUSSCGKSA-N 1 2 331.268 3.972 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3scnc31)O[C@H](C)C2 ZINC000623859188 1127200255 /nfs/dbraw/zinc/20/02/55/1127200255.db2.gz DZBBDDPYSFSZRP-BXUZGUMPSA-N 1 2 330.453 3.642 20 0 EHADLO O=C1[C@H]([NH2+][C@@H]2CCCc3scnc32)CCN1c1ccc(Cl)cc1 ZINC000623917760 1127214762 /nfs/dbraw/zinc/21/47/62/1127214762.db2.gz YADVTRNTJMTPRQ-ZIAGYGMSSA-N 1 2 347.871 3.569 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)c(O[C@@H]2CCOC2)c1 ZINC000623905123 1127212434 /nfs/dbraw/zinc/21/24/34/1127212434.db2.gz RVNNJMVBXAVKFL-CVEARBPZSA-N 1 2 344.480 3.786 20 0 EHADLO COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623905285 1127212455 /nfs/dbraw/zinc/21/24/55/1127212455.db2.gz WXJUUFGSWLLJKF-OAHLLOKOSA-N 1 2 332.469 3.644 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)N(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624099772 1127250925 /nfs/dbraw/zinc/25/09/25/1127250925.db2.gz AUMVBXMXYAGGBP-KBXCAEBGSA-N 1 2 329.407 3.865 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)o1 ZINC000624133454 1127254408 /nfs/dbraw/zinc/25/44/08/1127254408.db2.gz OIBJBMYPTUHVIY-SNVBAGLBSA-N 1 2 339.233 3.859 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000181325667 1127273950 /nfs/dbraw/zinc/27/39/50/1127273950.db2.gz ZGYBERFOXWHAFC-MAUKXSAKSA-N 1 2 337.423 3.851 20 0 EHADLO CC[C@H](CCc1ccccc1)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000624179341 1127276842 /nfs/dbraw/zinc/27/68/42/1127276842.db2.gz UWVIEMJLOGWAIZ-LJQANCHMSA-N 1 2 325.456 3.909 20 0 EHADLO Cc1cc(F)cc(Br)c1C[NH+]1CC2(C1)CCCOC2 ZINC001238563751 1127290670 /nfs/dbraw/zinc/29/06/70/1127290670.db2.gz UBXIJEPUDYKDPO-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1c(F)cccc1Cl ZINC000181763271 1127295134 /nfs/dbraw/zinc/29/51/34/1127295134.db2.gz KRZVUWNATJZRMB-SECBINFHSA-N 1 2 342.201 3.817 20 0 EHADLO CC(C)OCCCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000182333069 1127324371 /nfs/dbraw/zinc/32/43/71/1127324371.db2.gz HFWOQJVPCRZXBF-UHFFFAOYSA-N 1 2 339.505 3.519 20 0 EHADLO OCC[N@H+](Cc1ncc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000182406843 1127328041 /nfs/dbraw/zinc/32/80/41/1127328041.db2.gz GVDDRBIVPODGSM-QGZVFWFLSA-N 1 2 337.250 3.870 20 0 EHADLO OCC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000182406843 1127328043 /nfs/dbraw/zinc/32/80/43/1127328043.db2.gz GVDDRBIVPODGSM-QGZVFWFLSA-N 1 2 337.250 3.870 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1c(C)noc1C ZINC000182518313 1127334768 /nfs/dbraw/zinc/33/47/68/1127334768.db2.gz APXVNNLOOZTLQR-INIZCTEOSA-N 1 2 346.381 3.996 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCS2 ZINC000182884719 1127352317 /nfs/dbraw/zinc/35/23/17/1127352317.db2.gz BSLGBNROUBUVIM-INIZCTEOSA-N 1 2 345.443 3.706 20 0 EHADLO COc1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C(C)C)cc1 ZINC000182886483 1127352368 /nfs/dbraw/zinc/35/23/68/1127352368.db2.gz HFMQCBPMZMQKIV-FQEVSTJZSA-N 1 2 341.455 3.736 20 0 EHADLO CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)C(N)=O ZINC000183732484 1127385339 /nfs/dbraw/zinc/38/53/39/1127385339.db2.gz VXWZSHNSDRZFET-CVEARBPZSA-N 1 2 337.250 3.936 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184237346 1127398739 /nfs/dbraw/zinc/39/87/39/1127398739.db2.gz BHQAJDFCNKWTHA-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C)c1ccco1 ZINC000184608759 1127409983 /nfs/dbraw/zinc/40/99/83/1127409983.db2.gz BJXRMCYLBSXTJJ-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cs1 ZINC000184672911 1127411190 /nfs/dbraw/zinc/41/11/90/1127411190.db2.gz JUWJJXFFKHFJAF-AUUYWEPGSA-N 1 2 345.512 3.870 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000184775756 1127413222 /nfs/dbraw/zinc/41/32/22/1127413222.db2.gz ONMNOIKIJDJQFI-YJBOKZPZSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)C(C)C)s1 ZINC000184995571 1127417979 /nfs/dbraw/zinc/41/79/79/1127417979.db2.gz OEOZKWTYIOQZJH-DOTOQJQBSA-N 1 2 345.512 3.658 20 0 EHADLO Cc1cccc(Oc2ccccc2CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000193179506 1127433663 /nfs/dbraw/zinc/43/36/63/1127433663.db2.gz QCTCNQHLQHFOPM-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccn(C2CCCC2)n1 ZINC000764155871 1127452979 /nfs/dbraw/zinc/45/29/79/1127452979.db2.gz QKBFILORNUITTD-UHFFFAOYSA-N 1 2 336.395 3.541 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000194406787 1127458469 /nfs/dbraw/zinc/45/84/69/1127458469.db2.gz ORGGFMKYXVLYHO-UHFFFAOYSA-N 1 2 342.418 3.557 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)Cc2cccs2)c1C ZINC000195139988 1127474432 /nfs/dbraw/zinc/47/44/32/1127474432.db2.gz NLSKLPXGAZRCEN-ZDUSSCGKSA-N 1 2 347.484 3.541 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058680 1127568135 /nfs/dbraw/zinc/56/81/35/1127568135.db2.gz WIEDDQNERSXOKS-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058680 1127568138 /nfs/dbraw/zinc/56/81/38/1127568138.db2.gz WIEDDQNERSXOKS-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(O)c2ccccc2c1 ZINC000350762377 1127625423 /nfs/dbraw/zinc/62/54/23/1127625423.db2.gz HYVSBFNBMDDUHM-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000014933300 1127649109 /nfs/dbraw/zinc/64/91/09/1127649109.db2.gz CABIZLLFMFTYJF-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000014933300 1127649112 /nfs/dbraw/zinc/64/91/12/1127649112.db2.gz CABIZLLFMFTYJF-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)[C@@H]1C ZINC000015294214 1127652017 /nfs/dbraw/zinc/65/20/17/1127652017.db2.gz PASLQYPMMJWRJJ-YRGRVCCFSA-N 1 2 328.909 3.774 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)[C@@H]1C ZINC000015294214 1127652020 /nfs/dbraw/zinc/65/20/20/1127652020.db2.gz PASLQYPMMJWRJJ-YRGRVCCFSA-N 1 2 328.909 3.774 20 0 EHADLO COCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000022289668 1127691132 /nfs/dbraw/zinc/69/11/32/1127691132.db2.gz RIWHVSVPQORYCM-UHFFFAOYSA-N 1 2 345.468 3.528 20 0 EHADLO CCOc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000024050023 1127702057 /nfs/dbraw/zinc/70/20/57/1127702057.db2.gz IGKSBXULBQNOCM-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000765626892 1127712309 /nfs/dbraw/zinc/71/23/09/1127712309.db2.gz NMPSEUGWFVSZJT-GFCCVEGCSA-N 1 2 326.227 3.730 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000355547805 1127736029 /nfs/dbraw/zinc/73/60/29/1127736029.db2.gz QRJUHOIVOCECAS-BSDSXHPESA-N 1 2 329.488 3.733 20 0 EHADLO CC[N@H+](CCCC(=O)OC)Cc1c(Cl)cccc1Br ZINC001137809646 1127733355 /nfs/dbraw/zinc/73/33/55/1127733355.db2.gz MLLUJUIQKGEDEY-UHFFFAOYSA-N 1 2 348.668 3.878 20 0 EHADLO CC[N@@H+](CCCC(=O)OC)Cc1c(Cl)cccc1Br ZINC001137809646 1127733358 /nfs/dbraw/zinc/73/33/58/1127733358.db2.gz MLLUJUIQKGEDEY-UHFFFAOYSA-N 1 2 348.668 3.878 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCOC2=O)cc1 ZINC000921600941 1127759063 /nfs/dbraw/zinc/75/90/63/1127759063.db2.gz QGUYNDMPQIQYIR-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+][C@@H]3CSCc4ccccc43)cs2)n1 ZINC000921612581 1127763186 /nfs/dbraw/zinc/76/31/86/1127763186.db2.gz MAOTXIXDOMRZPT-MRXNPFEDSA-N 1 2 342.493 3.621 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](OC)c2ccccc2)n1 ZINC000338544429 1127797299 /nfs/dbraw/zinc/79/72/99/1127797299.db2.gz ACSXKKFOONDHPP-DZGCQCFKSA-N 1 2 335.473 3.703 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)c2ccccc2)n1 ZINC000338544429 1127797304 /nfs/dbraw/zinc/79/73/04/1127797304.db2.gz ACSXKKFOONDHPP-DZGCQCFKSA-N 1 2 335.473 3.703 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029667751 1127805366 /nfs/dbraw/zinc/80/53/66/1127805366.db2.gz KOYMCKPOEWVULB-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917870 1127810839 /nfs/dbraw/zinc/81/08/39/1127810839.db2.gz BTCNBNMIDIFBBH-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(Br)cc1 ZINC000029973408 1127812286 /nfs/dbraw/zinc/81/22/86/1127812286.db2.gz HWPDHKQXHNZEPQ-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(Br)cc1 ZINC000029973408 1127812290 /nfs/dbraw/zinc/81/22/90/1127812290.db2.gz HWPDHKQXHNZEPQ-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCOC(C)(C)C1 ZINC000030196818 1127816120 /nfs/dbraw/zinc/81/61/20/1127816120.db2.gz HURJFTJJGLSYOE-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCOC(C)(C)C1 ZINC000030196818 1127816122 /nfs/dbraw/zinc/81/61/22/1127816122.db2.gz HURJFTJJGLSYOE-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000031896202 1127842862 /nfs/dbraw/zinc/84/28/62/1127842862.db2.gz VCKTVWCLHFOQBV-CQSZACIVSA-N 1 2 336.794 3.639 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(c3ccccn3)CC2)c(Cl)c1 ZINC000035075415 1127868552 /nfs/dbraw/zinc/86/85/52/1127868552.db2.gz JRKABAZTQSWBFN-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078336792 1127905041 /nfs/dbraw/zinc/90/50/41/1127905041.db2.gz BQMKIYWQJDEWRC-NXHRZFHOSA-N 1 2 338.455 3.765 20 0 EHADLO Clc1cccc2cc(Nc3ccc[nH+]c3N3CCOCC3)cnc12 ZINC001212354244 1127925883 /nfs/dbraw/zinc/92/58/83/1127925883.db2.gz KGOCHLTZIHWLFJ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]1c1ccccc1 ZINC000046019470 1127966387 /nfs/dbraw/zinc/96/63/87/1127966387.db2.gz MABOXWATPOYSEQ-FQEVSTJZSA-N 1 2 346.434 3.588 20 0 EHADLO Nc1ccc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)cc1 ZINC001212359887 1127979382 /nfs/dbraw/zinc/97/93/82/1127979382.db2.gz AIMHGVYXHMBFOV-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO Cc1cc(OC(F)F)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360644 1127980374 /nfs/dbraw/zinc/98/03/74/1127980374.db2.gz ZONOAUCOAOLUKG-UHFFFAOYSA-N 1 2 335.354 3.572 20 0 EHADLO CCc1sc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000046873214 1127993769 /nfs/dbraw/zinc/99/37/69/1127993769.db2.gz YEBBZQSXECHPQT-MRXNPFEDSA-N 1 2 328.481 3.748 20 0 EHADLO CCc1sc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000046873214 1127993775 /nfs/dbraw/zinc/99/37/75/1127993775.db2.gz YEBBZQSXECHPQT-MRXNPFEDSA-N 1 2 328.481 3.748 20 0 EHADLO O=C(Nc1ccccc1N1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047248295 1128003882 /nfs/dbraw/zinc/00/38/82/1128003882.db2.gz DVKDOIKHOPOHBG-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO Fc1cc(F)c(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362861 1128004586 /nfs/dbraw/zinc/00/45/86/1128004586.db2.gz SHFXKJRFABGCEU-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO CC(C)(C)c1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000338661356 1128009758 /nfs/dbraw/zinc/00/97/58/1128009758.db2.gz FIJBYFDCDJMQIL-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO Cc1nc2cc(C)c(Nc3ccc[nH+]c3N3CCOCC3)cc2s1 ZINC001212364811 1128029719 /nfs/dbraw/zinc/02/97/19/1128029719.db2.gz TWRMOWCCLFMOFV-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000057375037 1128045450 /nfs/dbraw/zinc/04/54/50/1128045450.db2.gz FTEMOODUYWQYNW-SFHVURJKSA-N 1 2 328.460 3.750 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000282187574 1128049813 /nfs/dbraw/zinc/04/98/13/1128049813.db2.gz WHTGEPMRGKKFOO-CYBMUJFWSA-N 1 2 339.464 3.506 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)c(Br)c1 ZINC000671710489 1128052590 /nfs/dbraw/zinc/05/25/90/1128052590.db2.gz FUHTWRWWLMAGII-UHFFFAOYSA-N 1 2 339.233 3.859 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2C3CC4CC(C3)CC2C4)c1C ZINC000058958742 1128086546 /nfs/dbraw/zinc/08/65/46/1128086546.db2.gz IDJAEEHNJXYGJF-UHFFFAOYSA-N 1 2 342.483 3.738 20 0 EHADLO COc1ccc(Cl)cc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000060216150 1128095020 /nfs/dbraw/zinc/09/50/20/1128095020.db2.gz VFWNUQLHXPAMQT-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO O=C(c1c(F)cccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239806 1128124117 /nfs/dbraw/zinc/12/41/17/1128124117.db2.gz IIYDIQAYWMODFV-ZDUSSCGKSA-N 1 2 345.393 3.517 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000061759005 1128128831 /nfs/dbraw/zinc/12/88/31/1128128831.db2.gz GAHOVWMKHLAAKM-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000061759005 1128128833 /nfs/dbraw/zinc/12/88/33/1128128833.db2.gz GAHOVWMKHLAAKM-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO COc1ccc(Cl)cc1C1(CNc2cccc[nH+]2)CCOCC1 ZINC000063255640 1128140815 /nfs/dbraw/zinc/14/08/15/1128140815.db2.gz HOHWDSNLNKZBEO-UHFFFAOYSA-N 1 2 332.831 3.904 20 0 EHADLO CC(C)Cc1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000063644533 1128150441 /nfs/dbraw/zinc/15/04/41/1128150441.db2.gz ADZHSEHSGRKCCG-UHFFFAOYSA-N 1 2 326.425 3.780 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1nc(C2CC2)no1 ZINC000671752054 1128212933 /nfs/dbraw/zinc/21/29/33/1128212933.db2.gz CFGZYCYFVMFWBT-MEBBXXQBSA-N 1 2 342.399 3.842 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCc4c(F)ccc(C)c43)[nH+]c12 ZINC000066787085 1128227157 /nfs/dbraw/zinc/22/71/57/1128227157.db2.gz ARTHGJDKLKANSV-UHFFFAOYSA-N 1 2 337.398 3.612 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000069245444 1128284323 /nfs/dbraw/zinc/28/43/23/1128284323.db2.gz PFVWYIUQDHGVKD-KRWDZBQOSA-N 1 2 342.487 3.719 20 0 EHADLO Cc1ccc(C)c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000072484585 1128298569 /nfs/dbraw/zinc/29/85/69/1128298569.db2.gz OZNBRZIYNWFYRV-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO COc1ccc(NC(=O)CCn2cc[nH+]c2)cc1Cc1ccccc1 ZINC000073118677 1128317218 /nfs/dbraw/zinc/31/72/18/1128317218.db2.gz CKMGDNMRMKBOJJ-UHFFFAOYSA-N 1 2 335.407 3.511 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000073488391 1128323474 /nfs/dbraw/zinc/32/34/74/1128323474.db2.gz WQVUSFAASPSLLG-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C ZINC001168608613 1128352114 /nfs/dbraw/zinc/35/21/14/1128352114.db2.gz LGVNVDPFOPAERH-BPQIPLTHSA-N 1 2 349.471 3.625 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3nccn3C(C)C)CC2)cc1 ZINC000624482208 1128373663 /nfs/dbraw/zinc/37/36/63/1128373663.db2.gz LCPKOGXPPKRBLC-UHFFFAOYSA-N 1 2 329.444 3.516 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000624528490 1128386904 /nfs/dbraw/zinc/38/69/04/1128386904.db2.gz YAUIWDMLFDZHQQ-MNOVXSKESA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(F)(F)F ZINC000624528490 1128386908 /nfs/dbraw/zinc/38/69/08/1128386908.db2.gz YAUIWDMLFDZHQQ-MNOVXSKESA-N 1 2 349.422 3.902 20 0 EHADLO CNc1cc(CNC(=O)Nc2nc3cc(F)c(C)cc3s2)cc[nH+]1 ZINC001670962075 1128390186 /nfs/dbraw/zinc/39/01/86/1128390186.db2.gz SDDRCSRMBZKCDY-UHFFFAOYSA-N 1 2 345.403 3.502 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccsc1C(F)(F)F ZINC000624597107 1128402089 /nfs/dbraw/zinc/40/20/89/1128402089.db2.gz VNDVWEOSEDCOHI-UHFFFAOYSA-N 1 2 340.370 3.513 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3cscc3Br)nc2c1 ZINC000352768849 1128440517 /nfs/dbraw/zinc/44/05/17/1128440517.db2.gz GNQDQOHXLOHKGO-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCc4n[nH]cc4[C@@H]3C)cc2)[nH+]c1C ZINC000921667524 1128446985 /nfs/dbraw/zinc/44/69/85/1128446985.db2.gz IEGUHVPRMRADHQ-BDJLRTHQSA-N 1 2 349.438 3.721 20 0 EHADLO CCN(CC)C(=O)C1([NH2+]Cc2nc(C(C)(C)C)co2)CCCCC1 ZINC000921667548 1128447006 /nfs/dbraw/zinc/44/70/06/1128447006.db2.gz JDFLEGBTKHOTRK-UHFFFAOYSA-N 1 2 335.492 3.633 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn4c(n3)CC[C@@H](C)C4)cc2)[nH+]c1C ZINC000921668740 1128448555 /nfs/dbraw/zinc/44/85/55/1128448555.db2.gz JQDAFGIPODMAKG-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CO1 ZINC000347629576 1128456257 /nfs/dbraw/zinc/45/62/57/1128456257.db2.gz CABRPPMOZKFMGX-QWHCGFSZSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CO1 ZINC000347629576 1128456259 /nfs/dbraw/zinc/45/62/59/1128456259.db2.gz CABRPPMOZKFMGX-QWHCGFSZSA-N 1 2 339.361 3.500 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2scnc2Cl)C1 ZINC001137817299 1128462847 /nfs/dbraw/zinc/46/28/47/1128462847.db2.gz LXBPIUGMUZQHPC-LLVKDONJSA-N 1 2 345.896 3.676 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2scnc2Cl)C1 ZINC001137817299 1128462848 /nfs/dbraw/zinc/46/28/48/1128462848.db2.gz LXBPIUGMUZQHPC-LLVKDONJSA-N 1 2 345.896 3.676 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CC[C@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636587 1128529484 /nfs/dbraw/zinc/52/94/84/1128529484.db2.gz QJJXOWDGNBASFI-QRTARXTBSA-N 1 2 325.399 3.892 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CC[C@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636587 1128529485 /nfs/dbraw/zinc/52/94/85/1128529485.db2.gz QJJXOWDGNBASFI-QRTARXTBSA-N 1 2 325.399 3.892 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000056207806 1128547850 /nfs/dbraw/zinc/54/78/50/1128547850.db2.gz KMDUDAJECDKSSZ-HXUWFJFHSA-N 1 2 338.451 3.583 20 0 EHADLO COC(=O)Cc1ccccc1CSCc1cc(OC)cc(C)[nH+]1 ZINC001116481664 1128565782 /nfs/dbraw/zinc/56/57/82/1128565782.db2.gz BWNUCJSUXPVKJX-UHFFFAOYSA-N 1 2 331.437 3.548 20 0 EHADLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000057376184 1128634117 /nfs/dbraw/zinc/63/41/17/1128634117.db2.gz JZFFMIKFMRVMLY-INIZCTEOSA-N 1 2 334.851 3.767 20 0 EHADLO CCN(Cc1ccccc1Cl)C(=O)NCCCCn1cc[nH+]c1 ZINC000057375600 1128634188 /nfs/dbraw/zinc/63/41/88/1128634188.db2.gz WJLZLOCIDBAGRC-UHFFFAOYSA-N 1 2 334.851 3.548 20 0 EHADLO COc1cccc(C[NH2+]Cc2ccsc2Br)c1F ZINC000388485889 1128741294 /nfs/dbraw/zinc/74/12/94/1128741294.db2.gz ZSYLSUXNIOCZDW-UHFFFAOYSA-N 1 2 330.222 3.948 20 0 EHADLO Clc1cccc(C2([NH2+]Cc3nc(Br)c[nH]3)CC2)c1 ZINC000921772687 1128748079 /nfs/dbraw/zinc/74/80/79/1128748079.db2.gz RGBWKIAPODYSEI-UHFFFAOYSA-N 1 2 326.625 3.605 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@H](O)c1c(F)cccc1Cl ZINC000921807750 1128780501 /nfs/dbraw/zinc/78/05/01/1128780501.db2.gz TXJNGEVDBHTRDS-QFYYESIMSA-N 1 2 340.826 3.976 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146793 1128799113 /nfs/dbraw/zinc/79/91/13/1128799113.db2.gz BXWQZBKWYCPBPZ-NKELODKYSA-N 1 2 337.467 3.678 20 0 EHADLO CSc1nc(NCCc2cn3c(cccc3C)[nH+]2)cc(C(F)F)n1 ZINC000656203301 1128815023 /nfs/dbraw/zinc/81/50/23/1128815023.db2.gz GUSWJFJZUZRTKH-UHFFFAOYSA-N 1 2 349.410 3.747 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000542913153 1128834589 /nfs/dbraw/zinc/83/45/89/1128834589.db2.gz GFPYYCMILRCSLS-IBGZPJMESA-N 1 2 340.398 3.866 20 0 EHADLO Cc1cccn2cc(Cc3noc(Cc4cccc(Cl)c4)n3)[nH+]c12 ZINC000547092269 1128840787 /nfs/dbraw/zinc/84/07/87/1128840787.db2.gz NHZOLLUQLWVPNT-UHFFFAOYSA-N 1 2 338.798 3.861 20 0 EHADLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000007285652 1128859859 /nfs/dbraw/zinc/85/98/59/1128859859.db2.gz ZPFMQPWULCPGNI-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO FC(F)n1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000347672424 1128876533 /nfs/dbraw/zinc/87/65/33/1128876533.db2.gz CVWDRPTXPLHIIV-KRWDZBQOSA-N 1 2 335.398 3.502 20 0 EHADLO FC(F)n1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000347672424 1128876539 /nfs/dbraw/zinc/87/65/39/1128876539.db2.gz CVWDRPTXPLHIIV-KRWDZBQOSA-N 1 2 335.398 3.502 20 0 EHADLO CN(C)c1ccc(F)cc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001648874184 1120059105 /nfs/dbraw/zinc/05/91/05/1120059105.db2.gz PZVQLKFPDDVIOC-UHFFFAOYSA-N 1 2 328.435 3.889 20 0 EHADLO C[C@@H](CN(C)C(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC001670377831 1120065997 /nfs/dbraw/zinc/06/59/97/1120065997.db2.gz UFAKDHWVAYLFBL-HNNXBMFYSA-N 1 2 328.460 3.692 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001648940421 1120239641 /nfs/dbraw/zinc/23/96/41/1120239641.db2.gz ALSHGSFBQAGGLL-UHFFFAOYSA-N 1 2 337.471 3.730 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000110190014 1120244007 /nfs/dbraw/zinc/24/40/07/1120244007.db2.gz BCKOTTNSSVHJRP-AWEZNQCLSA-N 1 2 340.414 3.826 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000110190014 1120244010 /nfs/dbraw/zinc/24/40/10/1120244010.db2.gz BCKOTTNSSVHJRP-AWEZNQCLSA-N 1 2 340.414 3.826 20 0 EHADLO CC[C@H](C)C[C@H](C)Nc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001168694336 1128901663 /nfs/dbraw/zinc/90/16/63/1128901663.db2.gz MPAQXMVCNWFJNU-GJZGRUSLSA-N 1 2 328.460 3.703 20 0 EHADLO COc1ccc([C@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccc(C)cc2)cc1 ZINC000355118840 1128905097 /nfs/dbraw/zinc/90/50/97/1128905097.db2.gz XDDOUSVJNRGNJW-OAQYLSRUSA-N 1 2 349.434 3.565 20 0 EHADLO COc1ccc([C@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccc(C)cc2)cc1 ZINC000355118840 1128905102 /nfs/dbraw/zinc/90/51/02/1128905102.db2.gz XDDOUSVJNRGNJW-OAQYLSRUSA-N 1 2 349.434 3.565 20 0 EHADLO COc1cncc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1C ZINC000631122652 1120348199 /nfs/dbraw/zinc/34/81/99/1120348199.db2.gz BLLKCYPTOHIGSJ-SECBINFHSA-N 1 2 331.363 3.725 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000184463437 1120377581 /nfs/dbraw/zinc/37/75/81/1120377581.db2.gz PINMDIZKWAVZHE-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000184463437 1120377587 /nfs/dbraw/zinc/37/75/87/1120377587.db2.gz PINMDIZKWAVZHE-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@H](C)c1ccccc1 ZINC000186431481 1120461031 /nfs/dbraw/zinc/46/10/31/1120461031.db2.gz GFIXDFPCXPJBBU-JKSUJKDBSA-N 1 2 336.439 3.666 20 0 EHADLO Cc1cc(CNC(=O)NCCCn2cc[nH+]c2)ccc1-c1ccccc1 ZINC000186755596 1120473933 /nfs/dbraw/zinc/47/39/33/1120473933.db2.gz IBBGDVPDRUOSEK-UHFFFAOYSA-N 1 2 348.450 3.748 20 0 EHADLO OCc1ccccc1C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542481238 1120530265 /nfs/dbraw/zinc/53/02/65/1120530265.db2.gz YUEUBXXSZIKHFN-FQEVSTJZSA-N 1 2 340.373 3.731 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000190449764 1120638138 /nfs/dbraw/zinc/63/81/38/1120638138.db2.gz UOZIWIYRGMPWKZ-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO COC(=O)CC1(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCC1 ZINC000190722775 1120648842 /nfs/dbraw/zinc/64/88/42/1120648842.db2.gz XHEMQCCNRVXMHM-UHFFFAOYSA-N 1 2 341.411 3.529 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153115988 1120692044 /nfs/dbraw/zinc/69/20/44/1120692044.db2.gz FEEAITUBQXJDIL-ZDUSSCGKSA-N 1 2 328.551 3.640 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153115988 1120692047 /nfs/dbraw/zinc/69/20/47/1120692047.db2.gz FEEAITUBQXJDIL-ZDUSSCGKSA-N 1 2 328.551 3.640 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153115884 1120692157 /nfs/dbraw/zinc/69/21/57/1120692157.db2.gz FEEAITUBQXJDIL-CYBMUJFWSA-N 1 2 328.551 3.640 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153115884 1120692160 /nfs/dbraw/zinc/69/21/60/1120692160.db2.gz FEEAITUBQXJDIL-CYBMUJFWSA-N 1 2 328.551 3.640 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192055994 1120709405 /nfs/dbraw/zinc/70/94/05/1120709405.db2.gz NSXAHIWLHPDHAA-YJBOKZPZSA-N 1 2 349.862 3.931 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000494655075 1120713163 /nfs/dbraw/zinc/71/31/63/1120713163.db2.gz PHYOZOPUNPDJOH-AWEZNQCLSA-N 1 2 332.400 3.674 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)CCS1 ZINC000192192249 1120723989 /nfs/dbraw/zinc/72/39/89/1120723989.db2.gz CVCXGEHIWYHVDP-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)CCS1 ZINC000192192249 1120723993 /nfs/dbraw/zinc/72/39/93/1120723993.db2.gz CVCXGEHIWYHVDP-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2n1C ZINC000074985721 1120746615 /nfs/dbraw/zinc/74/66/15/1120746615.db2.gz QKRYDZVTAHUCSU-UHFFFAOYSA-N 1 2 343.452 3.806 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000193118573 1120759695 /nfs/dbraw/zinc/75/96/95/1120759695.db2.gz GTJGRJUFMNLYOX-UHFFFAOYSA-N 1 2 343.471 3.688 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccc(Cl)cc1 ZINC000193677902 1120791624 /nfs/dbraw/zinc/79/16/24/1120791624.db2.gz MUZOSDPXSXGIBU-CQSZACIVSA-N 1 2 339.844 3.665 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](CCOc1ccccc1Cl)C2 ZINC000670098026 1120811924 /nfs/dbraw/zinc/81/19/24/1120811924.db2.gz JUTGVCLEKMIVLA-UHFFFAOYSA-N 1 2 333.815 3.622 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](CCOc1ccccc1Cl)C2 ZINC000670098026 1120811926 /nfs/dbraw/zinc/81/19/26/1120811926.db2.gz JUTGVCLEKMIVLA-UHFFFAOYSA-N 1 2 333.815 3.622 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cc(C)nc(-c3cccnc3)n2)c1C ZINC000194657414 1120853601 /nfs/dbraw/zinc/85/36/01/1120853601.db2.gz QRCOMOMLLLWKGD-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000542519743 1120893200 /nfs/dbraw/zinc/89/32/00/1120893200.db2.gz JLWYOGBQSWUIKX-YLJYHZDGSA-N 1 2 345.870 3.707 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000542519743 1120893203 /nfs/dbraw/zinc/89/32/03/1120893203.db2.gz JLWYOGBQSWUIKX-YLJYHZDGSA-N 1 2 345.870 3.707 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](CC)c2nccs2)cc1 ZINC000542521553 1120900156 /nfs/dbraw/zinc/90/01/56/1120900156.db2.gz ODTPPBZKHUISLK-BBRMVZONSA-N 1 2 331.485 3.624 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nnn(-c2ccc(Cl)cc2)c1=S)C(C)(C)C ZINC000914569023 1120902985 /nfs/dbraw/zinc/90/29/85/1120902985.db2.gz RSCAGFOWDCLDRV-LLVKDONJSA-N 1 2 339.896 3.776 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nnn(-c2ccc(Cl)cc2)c1=S)C(C)(C)C ZINC000914569023 1120902988 /nfs/dbraw/zinc/90/29/88/1120902988.db2.gz RSCAGFOWDCLDRV-LLVKDONJSA-N 1 2 339.896 3.776 20 0 EHADLO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)s1 ZINC000542530448 1120925015 /nfs/dbraw/zinc/92/50/15/1120925015.db2.gz FBLWWNYAUMAUQL-IAQYHMDHSA-N 1 2 340.452 3.640 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000494997823 1120928830 /nfs/dbraw/zinc/92/88/30/1120928830.db2.gz PXSSGVXEFYFWHB-CQSZACIVSA-N 1 2 337.769 3.628 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000494997823 1120928833 /nfs/dbraw/zinc/92/88/33/1120928833.db2.gz PXSSGVXEFYFWHB-CQSZACIVSA-N 1 2 337.769 3.628 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000153262959 1120929089 /nfs/dbraw/zinc/92/90/89/1120929089.db2.gz JMPDNUFVNHEPTR-INIZCTEOSA-N 1 2 328.485 3.795 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000153262959 1120929094 /nfs/dbraw/zinc/92/90/94/1120929094.db2.gz JMPDNUFVNHEPTR-INIZCTEOSA-N 1 2 328.485 3.795 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cs1 ZINC000495049809 1120938588 /nfs/dbraw/zinc/93/85/88/1120938588.db2.gz LSDUTCWVXBJOFV-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cs1 ZINC000495049809 1120938593 /nfs/dbraw/zinc/93/85/93/1120938593.db2.gz LSDUTCWVXBJOFV-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000153294144 1120942631 /nfs/dbraw/zinc/94/26/31/1120942631.db2.gz BEMUMMXNFCUMIN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000153294144 1120942635 /nfs/dbraw/zinc/94/26/35/1120942635.db2.gz BEMUMMXNFCUMIN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1F ZINC000495079458 1120947628 /nfs/dbraw/zinc/94/76/28/1120947628.db2.gz NSIRVUFURCLCMI-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1F ZINC000495079458 1120947631 /nfs/dbraw/zinc/94/76/31/1120947631.db2.gz NSIRVUFURCLCMI-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO c1coc(-c2ncc(CN3CC[NH+](Cc4cccs4)CC3)s2)c1 ZINC000495081891 1120948311 /nfs/dbraw/zinc/94/83/11/1120948311.db2.gz VXTDURMKLYSBLX-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO CCCNc1cc(C)[nH+]c(N[C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168479516 1120975655 /nfs/dbraw/zinc/97/56/55/1120975655.db2.gz YDGRWAWVNWJUHD-CYBMUJFWSA-N 1 2 325.338 3.717 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccccc1F ZINC000171621159 1120996755 /nfs/dbraw/zinc/99/67/55/1120996755.db2.gz JZXHHVBNNKOJRA-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccccc1F ZINC000171621159 1120996757 /nfs/dbraw/zinc/99/67/57/1120996757.db2.gz JZXHHVBNNKOJRA-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO CCN(Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1)c1ccccc1 ZINC000761886637 1121002378 /nfs/dbraw/zinc/00/23/78/1121002378.db2.gz DPLDZKBOWRKQHU-UHFFFAOYSA-N 1 2 347.422 3.643 20 0 EHADLO CN(C)c1nc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000157047689 1128956530 /nfs/dbraw/zinc/95/65/30/1128956530.db2.gz IUFWXZWKVGHNGH-CQSZACIVSA-N 1 2 337.876 3.866 20 0 EHADLO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c1 ZINC000157052866 1128959448 /nfs/dbraw/zinc/95/94/48/1128959448.db2.gz PNVSRDZKZBIZAF-LLVKDONJSA-N 1 2 341.427 3.970 20 0 EHADLO O=C(NCCCC1CCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303000212 1121113335 /nfs/dbraw/zinc/11/33/35/1121113335.db2.gz OBVJOFOSUGJHMJ-LJQANCHMSA-N 1 2 346.540 3.863 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000347676688 1128969583 /nfs/dbraw/zinc/96/95/83/1128969583.db2.gz SNMZKKNBSXBDCC-UHFFFAOYSA-N 1 2 347.374 3.961 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@@H]2CCCC[C@@H]12 ZINC000915209837 1121254764 /nfs/dbraw/zinc/25/47/64/1121254764.db2.gz PCQLGLBDMUYTLR-XOKHGSTOSA-N 1 2 345.418 3.501 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@@H]2CCCC[C@@H]12 ZINC000915209837 1121254771 /nfs/dbraw/zinc/25/47/71/1121254771.db2.gz PCQLGLBDMUYTLR-XOKHGSTOSA-N 1 2 345.418 3.501 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccsc2)c1C ZINC000670176633 1121266922 /nfs/dbraw/zinc/26/69/22/1121266922.db2.gz LPSQUFPTFWXWEV-ZDUSSCGKSA-N 1 2 333.457 3.671 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)(C)C ZINC000762392269 1121274838 /nfs/dbraw/zinc/27/48/38/1121274838.db2.gz HGYCPFBBIGEVDH-UHFFFAOYSA-N 1 2 345.439 3.573 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)(C)C ZINC000762392269 1121274841 /nfs/dbraw/zinc/27/48/41/1121274841.db2.gz HGYCPFBBIGEVDH-UHFFFAOYSA-N 1 2 345.439 3.573 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C(C)(C)C ZINC000762393066 1121275277 /nfs/dbraw/zinc/27/52/77/1121275277.db2.gz LSLJSBAJLMWKSR-UHFFFAOYSA-N 1 2 345.439 3.573 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C(C)(C)C ZINC000762393066 1121275281 /nfs/dbraw/zinc/27/52/81/1121275281.db2.gz LSLJSBAJLMWKSR-UHFFFAOYSA-N 1 2 345.439 3.573 20 0 EHADLO C[C@H](c1ccccc1)n1cnnc1SCc1cc[nH+]c(N(C)C)c1 ZINC000762476144 1121317026 /nfs/dbraw/zinc/31/70/26/1121317026.db2.gz XIHGZVPYRKIQEG-CQSZACIVSA-N 1 2 339.468 3.641 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000749937727 1121368038 /nfs/dbraw/zinc/36/80/38/1121368038.db2.gz OYCNNDJHAAAEBV-GFCCVEGCSA-N 1 2 328.359 3.723 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000749937727 1121368048 /nfs/dbraw/zinc/36/80/48/1121368048.db2.gz OYCNNDJHAAAEBV-GFCCVEGCSA-N 1 2 328.359 3.723 20 0 EHADLO Cc1cccc(OCCCCC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001127364071 1121392436 /nfs/dbraw/zinc/39/24/36/1121392436.db2.gz CAKMBSPZFZWHOU-UHFFFAOYSA-N 1 2 341.455 3.952 20 0 EHADLO FC(F)(F)c1cc(Br)cnc1NCCCn1cc[nH+]c1 ZINC000236131639 1121441326 /nfs/dbraw/zinc/44/13/26/1121441326.db2.gz LROVGGNKZLHVFM-UHFFFAOYSA-N 1 2 349.154 3.562 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)NCc2c[nH+]cn2C)c1C ZINC000350173589 1121461011 /nfs/dbraw/zinc/46/10/11/1121461011.db2.gz DCQGCDKJSCWYDA-UHFFFAOYSA-N 1 2 344.459 3.755 20 0 EHADLO CCCCOc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000236743951 1121462097 /nfs/dbraw/zinc/46/20/97/1121462097.db2.gz GDQYTCOFALXEIX-UHFFFAOYSA-N 1 2 341.455 3.709 20 0 EHADLO COc1ccc(C[C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000237428357 1121482836 /nfs/dbraw/zinc/48/28/36/1121482836.db2.gz TZQQHYQORNHWPB-OAHLLOKOSA-N 1 2 341.455 3.742 20 0 EHADLO FC(F)(F)c1cccc(CNc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000237678472 1121491691 /nfs/dbraw/zinc/49/16/91/1121491691.db2.gz LPVZSKVONHRSLK-UHFFFAOYSA-N 1 2 337.345 3.549 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)CCCn3cc[nH+]c3)oc21 ZINC000122687746 1121527782 /nfs/dbraw/zinc/52/77/82/1121527782.db2.gz SNWNLTDLEQLZEQ-AWEZNQCLSA-N 1 2 341.411 3.686 20 0 EHADLO COc1ccc(Br)c(F)c1C[NH+]1CCC(C)(F)CC1 ZINC001235481594 1121611719 /nfs/dbraw/zinc/61/17/19/1121611719.db2.gz RCUSZVGYQBZVEK-UHFFFAOYSA-N 1 2 334.204 3.921 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749939276 1121627833 /nfs/dbraw/zinc/62/78/33/1121627833.db2.gz ONXFMRDGTRDGTN-HOTGVXAUSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749939276 1121627839 /nfs/dbraw/zinc/62/78/39/1121627839.db2.gz ONXFMRDGTRDGTN-HOTGVXAUSA-N 1 2 340.389 3.886 20 0 EHADLO CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099769 1121699561 /nfs/dbraw/zinc/69/95/61/1121699561.db2.gz BGMJXRVEPWNSBG-HNNXBMFYSA-N 1 2 326.843 3.922 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000169948964 1121721371 /nfs/dbraw/zinc/72/13/71/1121721371.db2.gz NCORXCSSLCGOGF-UHFFFAOYSA-N 1 2 333.435 3.612 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1 ZINC000054022666 1121729404 /nfs/dbraw/zinc/72/94/04/1121729404.db2.gz PXVPYPOBKBEKQZ-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224704 1121749676 /nfs/dbraw/zinc/74/96/76/1121749676.db2.gz XMDFGGUFFQVCOP-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO Cc1ccc(C)c(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000054225237 1121750551 /nfs/dbraw/zinc/75/05/51/1121750551.db2.gz FTKBNXTUYKVLTJ-UHFFFAOYSA-N 1 2 339.370 3.646 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000054296230 1121751422 /nfs/dbraw/zinc/75/14/22/1121751422.db2.gz USXHCNPKOPRAEY-UHFFFAOYSA-N 1 2 336.435 3.528 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](CCOC)Cc1ccccc1 ZINC000194271424 1121825223 /nfs/dbraw/zinc/82/52/23/1121825223.db2.gz FCJKBRSBFVSAOX-UHFFFAOYSA-N 1 2 341.451 3.937 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](CCOC)Cc1ccccc1 ZINC000194271424 1121825234 /nfs/dbraw/zinc/82/52/34/1121825234.db2.gz FCJKBRSBFVSAOX-UHFFFAOYSA-N 1 2 341.451 3.937 20 0 EHADLO O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695854 1121857493 /nfs/dbraw/zinc/85/74/93/1121857493.db2.gz AAKYGXITZKGVDB-UHFFFAOYSA-N 1 2 344.418 3.603 20 0 EHADLO CSCc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696770 1121857805 /nfs/dbraw/zinc/85/78/05/1121857805.db2.gz XSBLHDXBWZUHHT-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000614179519 1121938379 /nfs/dbraw/zinc/93/83/79/1121938379.db2.gz QFORXZFVPDTJHF-CQSZACIVSA-N 1 2 338.860 3.827 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(SC(F)(F)F)cc1 ZINC000763288409 1121943354 /nfs/dbraw/zinc/94/33/54/1121943354.db2.gz UXOLRAPHPWAOOW-UHFFFAOYSA-N 1 2 330.331 3.742 20 0 EHADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)c(C)n1Cc1ccccc1 ZINC000763288573 1121943533 /nfs/dbraw/zinc/94/35/33/1121943533.db2.gz WKNCETPGDVHAGT-UHFFFAOYSA-N 1 2 337.423 3.597 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=S)n1Cc1ccco1 ZINC000763332737 1121961677 /nfs/dbraw/zinc/96/16/77/1121961677.db2.gz NSJISHUKLPQQHB-HNNXBMFYSA-N 1 2 346.500 3.868 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=S)n1Cc1ccco1 ZINC000763332737 1121961683 /nfs/dbraw/zinc/96/16/83/1121961683.db2.gz NSJISHUKLPQQHB-HNNXBMFYSA-N 1 2 346.500 3.868 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc(-c2cccnc2)n1C1CC1 ZINC000763331526 1121962163 /nfs/dbraw/zinc/96/21/63/1121962163.db2.gz IULLHLVYYUPBIA-OAHLLOKOSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nc(-c2cccnc2)n1C1CC1 ZINC000763331526 1121962167 /nfs/dbraw/zinc/96/21/67/1121962167.db2.gz IULLHLVYYUPBIA-OAHLLOKOSA-N 1 2 341.484 3.500 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3CC[C@H](C4CC4)C3)c(=S)o2)cc1 ZINC000763333167 1121967908 /nfs/dbraw/zinc/96/79/08/1121967908.db2.gz POMRKXVOGCEQOI-HNNXBMFYSA-N 1 2 345.468 3.782 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3CC[C@H](C4CC4)C3)c(=S)o2)cc1 ZINC000763333167 1121967912 /nfs/dbraw/zinc/96/79/12/1121967912.db2.gz POMRKXVOGCEQOI-HNNXBMFYSA-N 1 2 345.468 3.782 20 0 EHADLO CC[C@](O)(C[NH2+][C@@H](c1nccs1)c1ccccc1)C(F)(F)F ZINC000929919180 1122061026 /nfs/dbraw/zinc/06/10/26/1122061026.db2.gz LMFKVLBGSSQQHY-OCCSQVGLSA-N 1 2 330.375 3.526 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000901177510 1122104062 /nfs/dbraw/zinc/10/40/62/1122104062.db2.gz UOTDQSOXFNZVLE-RBBKRZOGSA-N 1 2 345.446 3.930 20 0 EHADLO CCC(=O)c1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000916294242 1122120444 /nfs/dbraw/zinc/12/04/44/1122120444.db2.gz GMTRGQXKXVTURV-UHFFFAOYSA-N 1 2 334.375 3.743 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000153986492 1122157874 /nfs/dbraw/zinc/15/78/74/1122157874.db2.gz OHUFCGWRBRLZSI-OAHLLOKOSA-N 1 2 345.468 3.521 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000153986492 1122157877 /nfs/dbraw/zinc/15/78/77/1122157877.db2.gz OHUFCGWRBRLZSI-OAHLLOKOSA-N 1 2 345.468 3.521 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)ncc1F ZINC000497056858 1122253556 /nfs/dbraw/zinc/25/35/56/1122253556.db2.gz MALAUOTYLSLYAC-GFCCVEGCSA-N 1 2 347.365 3.509 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)ncc1F ZINC000497056858 1122253560 /nfs/dbraw/zinc/25/35/60/1122253560.db2.gz MALAUOTYLSLYAC-GFCCVEGCSA-N 1 2 347.365 3.509 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)Cc2ccc3c(c2)OCCO3)c1 ZINC000064431525 1122312470 /nfs/dbraw/zinc/31/24/70/1122312470.db2.gz WURKPKDOCPXTQM-UHFFFAOYSA-N 1 2 325.364 3.846 20 0 EHADLO Cc1[nH]c(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)[nH+]c1C ZINC000497218675 1122379794 /nfs/dbraw/zinc/37/97/94/1122379794.db2.gz KXBJKLYULNEVGJ-UHFFFAOYSA-N 1 2 330.432 3.663 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000917076261 1122474003 /nfs/dbraw/zinc/47/40/03/1122474003.db2.gz IUCUGJAJDDKZIW-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000917076261 1122474005 /nfs/dbraw/zinc/47/40/05/1122474005.db2.gz IUCUGJAJDDKZIW-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000127376965 1122480390 /nfs/dbraw/zinc/48/03/90/1122480390.db2.gz CZIAWYIQRJVCOQ-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000127376965 1122480394 /nfs/dbraw/zinc/48/03/94/1122480394.db2.gz CZIAWYIQRJVCOQ-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000127470898 1122487041 /nfs/dbraw/zinc/48/70/41/1122487041.db2.gz DVOZINNOVCNEOT-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000127470898 1122487043 /nfs/dbraw/zinc/48/70/43/1122487043.db2.gz DVOZINNOVCNEOT-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(Cl)c(F)c1 ZINC000127651785 1122500137 /nfs/dbraw/zinc/50/01/37/1122500137.db2.gz HECMHXOAHAYFQG-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(Cl)c(F)c1 ZINC000127651785 1122500140 /nfs/dbraw/zinc/50/01/40/1122500140.db2.gz HECMHXOAHAYFQG-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cccnc1 ZINC000128898907 1122689766 /nfs/dbraw/zinc/68/97/66/1122689766.db2.gz AQVHFYCELBWGKK-UHFFFAOYSA-N 1 2 331.217 3.826 20 0 EHADLO COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000918005752 1122730577 /nfs/dbraw/zinc/73/05/77/1122730577.db2.gz BIBUGHPPIGAKLT-UHFFFAOYSA-N 1 2 347.418 3.533 20 0 EHADLO S=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)cc(Cl)c1 ZINC000918162931 1122770223 /nfs/dbraw/zinc/77/02/23/1122770223.db2.gz DGPVNBYEUXBOIT-UHFFFAOYSA-N 1 2 343.283 3.957 20 0 EHADLO Cn1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c(-c2ccccc2)n1 ZINC000129655666 1122817553 /nfs/dbraw/zinc/81/75/53/1122817553.db2.gz CBCWWGPQCKQVBO-HXUWFJFHSA-N 1 2 343.434 3.689 20 0 EHADLO CC(C)N(CC1=CS[C@@H]([NH3+])N1)Cc1c(Cl)cccc1Cl ZINC001236111430 1122872134 /nfs/dbraw/zinc/87/21/34/1122872134.db2.gz RBXMCNOMCXBXDD-AWEZNQCLSA-N 1 2 332.300 3.624 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483419 1122939994 /nfs/dbraw/zinc/93/99/94/1122939994.db2.gz JUEUQMCFXNGNNP-XJKSGUPXSA-N 1 2 340.870 3.852 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483419 1122939999 /nfs/dbraw/zinc/93/99/99/1122939999.db2.gz JUEUQMCFXNGNNP-XJKSGUPXSA-N 1 2 340.870 3.852 20 0 EHADLO CC[C@@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000130558870 1122965369 /nfs/dbraw/zinc/96/53/69/1122965369.db2.gz MQEAOKBASANDLX-CDVVCGDMSA-N 1 2 338.436 3.610 20 0 EHADLO C[C@@]1(c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)CC=CCC1 ZINC000556428340 1122976238 /nfs/dbraw/zinc/97/62/38/1122976238.db2.gz IUQAWDDDSTXKDX-HXUWFJFHSA-N 1 2 339.439 3.567 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccsc2C(=O)OC)o1 ZINC000130798868 1123001477 /nfs/dbraw/zinc/00/14/77/1123001477.db2.gz BIKHZUNCBAWPQE-CQSZACIVSA-N 1 2 335.425 3.611 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccsc2C(=O)OC)o1 ZINC000130798868 1123001483 /nfs/dbraw/zinc/00/14/83/1123001483.db2.gz BIKHZUNCBAWPQE-CQSZACIVSA-N 1 2 335.425 3.611 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000556533504 1123014343 /nfs/dbraw/zinc/01/43/43/1123014343.db2.gz IVJYPBDQAVCZNF-INIZCTEOSA-N 1 2 344.377 3.798 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000556533504 1123014344 /nfs/dbraw/zinc/01/43/44/1123014344.db2.gz IVJYPBDQAVCZNF-INIZCTEOSA-N 1 2 344.377 3.798 20 0 EHADLO Cc1nc2sccn2c1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924020704 1123049942 /nfs/dbraw/zinc/04/99/42/1123049942.db2.gz FVTSRSNFJADDRH-GFCCVEGCSA-N 1 2 342.428 3.586 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1F ZINC000131381008 1123094302 /nfs/dbraw/zinc/09/43/02/1123094302.db2.gz JYYDYBXRJBNKCG-UONOGXRCSA-N 1 2 340.402 3.827 20 0 EHADLO CC[N@H+](CC(=O)NCc1cc(C(C)C)no1)Cc1ccccc1Cl ZINC000672897146 1129101064 /nfs/dbraw/zinc/10/10/64/1129101064.db2.gz CPXQBQTWDILYIW-UHFFFAOYSA-N 1 2 349.862 3.590 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cc(C(C)C)no1)Cc1ccccc1Cl ZINC000672897146 1129101067 /nfs/dbraw/zinc/10/10/67/1129101067.db2.gz CPXQBQTWDILYIW-UHFFFAOYSA-N 1 2 349.862 3.590 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000922097307 1129102223 /nfs/dbraw/zinc/10/22/23/1129102223.db2.gz SUEYMRKURTYXOF-UHFFFAOYSA-N 1 2 345.752 3.669 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000131763406 1123179145 /nfs/dbraw/zinc/17/91/45/1123179145.db2.gz BTVKIRHMPGRFLU-UHFFFAOYSA-N 1 2 325.387 3.598 20 0 EHADLO CC1(C)C(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1(C)C ZINC000073034317 1123184020 /nfs/dbraw/zinc/18/40/20/1123184020.db2.gz DSSZEHMGJMCMBF-UHFFFAOYSA-N 1 2 327.428 3.583 20 0 EHADLO COc1cc2c(cc1Cl)CN(Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000556961236 1123239271 /nfs/dbraw/zinc/23/92/71/1123239271.db2.gz JPOYMKYYJSPINW-UHFFFAOYSA-N 1 2 341.842 3.863 20 0 EHADLO COc1ccc2c(C)cc3nn(C[N@H+](C)CC4CC4)c(=S)n3c2c1 ZINC000919942504 1123240117 /nfs/dbraw/zinc/24/01/17/1123240117.db2.gz VHDCSVCMVGNOII-UHFFFAOYSA-N 1 2 342.468 3.635 20 0 EHADLO COc1ccc2c(C)cc3nn(C[N@@H+](C)CC4CC4)c(=S)n3c2c1 ZINC000919942504 1123240121 /nfs/dbraw/zinc/24/01/21/1123240121.db2.gz VHDCSVCMVGNOII-UHFFFAOYSA-N 1 2 342.468 3.635 20 0 EHADLO CCc1nc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cs1 ZINC000923870245 1123279200 /nfs/dbraw/zinc/27/92/00/1123279200.db2.gz SZFASXMIBXAPCT-ZDUSSCGKSA-N 1 2 331.445 3.511 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543020544 1129112485 /nfs/dbraw/zinc/11/24/85/1129112485.db2.gz FJCRIPRDOPYSRF-AEFFLSMTSA-N 1 2 348.368 3.669 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543020544 1129112488 /nfs/dbraw/zinc/11/24/88/1129112488.db2.gz FJCRIPRDOPYSRF-AEFFLSMTSA-N 1 2 348.368 3.669 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)ccc1F ZINC000132863397 1123310645 /nfs/dbraw/zinc/31/06/45/1123310645.db2.gz STTWMMKFTZAFSM-UHFFFAOYSA-N 1 2 329.400 3.804 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)ccc1F ZINC000132863397 1123310649 /nfs/dbraw/zinc/31/06/49/1123310649.db2.gz STTWMMKFTZAFSM-UHFFFAOYSA-N 1 2 329.400 3.804 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCSc1ccccc1F)C2 ZINC000609314243 1123331312 /nfs/dbraw/zinc/33/13/12/1123331312.db2.gz WTNDHVUXNKNDEK-UHFFFAOYSA-N 1 2 331.412 3.720 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCSc1ccccc1F)C2 ZINC000609314243 1123331315 /nfs/dbraw/zinc/33/13/15/1123331315.db2.gz WTNDHVUXNKNDEK-UHFFFAOYSA-N 1 2 331.412 3.720 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466028742 1129115962 /nfs/dbraw/zinc/11/59/62/1129115962.db2.gz YKOQHWZREWUEHZ-OALUTQOASA-N 1 2 338.455 3.640 20 0 EHADLO O=C(Cc1csc2ccccc12)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921150495 1123472233 /nfs/dbraw/zinc/47/22/33/1123472233.db2.gz WNMASSJLGRAWBK-UHFFFAOYSA-N 1 2 347.443 3.946 20 0 EHADLO CCCOc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000921150189 1123472326 /nfs/dbraw/zinc/47/23/26/1123472326.db2.gz MOQUJOYRQMXTKZ-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239689 1123507593 /nfs/dbraw/zinc/50/75/93/1123507593.db2.gz IHBVRKVPESDRMU-WBMJQRKESA-N 1 2 341.436 3.622 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239689 1123507596 /nfs/dbraw/zinc/50/75/96/1123507596.db2.gz IHBVRKVPESDRMU-WBMJQRKESA-N 1 2 341.436 3.622 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246948 1123508057 /nfs/dbraw/zinc/50/80/57/1123508057.db2.gz HWNKGNAVERMAID-KDOFPFPSSA-N 1 2 335.407 3.561 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246948 1123508062 /nfs/dbraw/zinc/50/80/62/1123508062.db2.gz HWNKGNAVERMAID-KDOFPFPSSA-N 1 2 335.407 3.561 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000076745590 1123517204 /nfs/dbraw/zinc/51/72/04/1123517204.db2.gz QSQGBAPRJHUONC-HNNXBMFYSA-N 1 2 346.421 3.994 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000076745590 1123517208 /nfs/dbraw/zinc/51/72/08/1123517208.db2.gz QSQGBAPRJHUONC-HNNXBMFYSA-N 1 2 346.421 3.994 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3ccccc3Br)nc12 ZINC000076895069 1123523135 /nfs/dbraw/zinc/52/31/35/1123523135.db2.gz JKQJFWAMOWLFED-UHFFFAOYSA-N 1 2 330.229 3.695 20 0 EHADLO Clc1n[nH]c(C2CC2)c1CNC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000921479032 1123549780 /nfs/dbraw/zinc/54/97/80/1123549780.db2.gz ZTYJFQSOMWQAMV-HNNXBMFYSA-N 1 2 348.878 3.850 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@H](C)[C@@H]2C)nc1-c1ccncc1 ZINC000174951683 1123558813 /nfs/dbraw/zinc/55/88/13/1123558813.db2.gz YDTUEJJLWBJKDT-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@H](C)[C@@H]2C)nc1-c1ccncc1 ZINC000174951683 1123558815 /nfs/dbraw/zinc/55/88/15/1123558815.db2.gz YDTUEJJLWBJKDT-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609537078 1123606016 /nfs/dbraw/zinc/60/60/16/1123606016.db2.gz VFDGWUHKLZPWIX-PMACEKPBSA-N 1 2 339.435 3.754 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609537078 1123606018 /nfs/dbraw/zinc/60/60/18/1123606018.db2.gz VFDGWUHKLZPWIX-PMACEKPBSA-N 1 2 339.435 3.754 20 0 EHADLO O=C(C=Cc1ccc(C(F)(F)F)cc1)NNc1cc[nH+]cc1Cl ZINC000135875643 1123650780 /nfs/dbraw/zinc/65/07/80/1123650780.db2.gz MZUJOMSKJHCUFL-ZZXKWVIFSA-N 1 2 341.720 3.910 20 0 EHADLO CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000609798511 1123664251 /nfs/dbraw/zinc/66/42/51/1123664251.db2.gz LNKWZLCFPXEKLP-OAHLLOKOSA-N 1 2 335.448 3.598 20 0 EHADLO CCOC(=O)CCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000609798511 1123664252 /nfs/dbraw/zinc/66/42/52/1123664252.db2.gz LNKWZLCFPXEKLP-OAHLLOKOSA-N 1 2 335.448 3.598 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000610004679 1123711316 /nfs/dbraw/zinc/71/13/16/1123711316.db2.gz XFDZMUWMVPHCIT-GIGQVBGESA-N 1 2 338.325 3.538 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccnn2C)c2ccccc2Cl)cc1 ZINC000080204240 1123745644 /nfs/dbraw/zinc/74/56/44/1123745644.db2.gz LDXDKHBDWMPCCF-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)nc2ccccc12 ZINC000081085048 1123775178 /nfs/dbraw/zinc/77/51/78/1123775178.db2.gz CAKGWIQMPARVMV-HNNXBMFYSA-N 1 2 344.764 3.696 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)nc2ccccc12 ZINC000081085048 1123775182 /nfs/dbraw/zinc/77/51/82/1123775182.db2.gz CAKGWIQMPARVMV-HNNXBMFYSA-N 1 2 344.764 3.696 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000615322662 1123780919 /nfs/dbraw/zinc/78/09/19/1123780919.db2.gz UUDVHHMSFJDTIO-MCIONIFRSA-N 1 2 329.831 3.578 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245412359 1123816836 /nfs/dbraw/zinc/81/68/36/1123816836.db2.gz AKSFFYTWLZRXGJ-VFVRVIDISA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245412359 1123816839 /nfs/dbraw/zinc/81/68/39/1123816839.db2.gz AKSFFYTWLZRXGJ-VFVRVIDISA-N 1 2 330.378 3.985 20 0 EHADLO CN(c1nc(C[N@H+](CCC(F)(F)F)CC2CC2)cs1)C1CC1 ZINC000138095992 1123819080 /nfs/dbraw/zinc/81/90/80/1123819080.db2.gz MOGDCEKEKUCISZ-UHFFFAOYSA-N 1 2 333.423 3.906 20 0 EHADLO CN(c1nc(C[N@@H+](CCC(F)(F)F)CC2CC2)cs1)C1CC1 ZINC000138095992 1123819084 /nfs/dbraw/zinc/81/90/84/1123819084.db2.gz MOGDCEKEKUCISZ-UHFFFAOYSA-N 1 2 333.423 3.906 20 0 EHADLO O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179701993 1123823398 /nfs/dbraw/zinc/82/33/98/1123823398.db2.gz RWQVPMQMGSDAPW-KRWDZBQOSA-N 1 2 341.798 3.588 20 0 EHADLO CCc1ncsc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000138524957 1123950691 /nfs/dbraw/zinc/95/06/91/1123950691.db2.gz MARQJELADURCHW-UHFFFAOYSA-N 1 2 332.816 3.797 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000616270287 1123977405 /nfs/dbraw/zinc/97/74/05/1123977405.db2.gz CLEPCRYLBHJLGH-QMCVQRASSA-N 1 2 343.858 3.630 20 0 EHADLO CCCc1cnc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000180787174 1124072022 /nfs/dbraw/zinc/07/20/22/1124072022.db2.gz OULJXBBIOADOOW-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c1C ZINC000734525926 1131247108 /nfs/dbraw/zinc/24/71/08/1131247108.db2.gz QWGDPWZDJSATGM-XJKSGUPXSA-N 1 2 333.476 3.723 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407586 1124514681 /nfs/dbraw/zinc/51/46/81/1124514681.db2.gz XQNYFDFWQQDXMH-UHFFFAOYSA-N 1 2 325.456 3.749 20 0 EHADLO O=C(OCc1cnc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181143060 1124549662 /nfs/dbraw/zinc/54/96/62/1124549662.db2.gz JHJDLNJPCUMJIH-UHFFFAOYSA-N 1 2 329.359 3.778 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1C[N@H+](CCO)Cc1cccs1 ZINC001236605744 1124567200 /nfs/dbraw/zinc/56/72/00/1124567200.db2.gz QWCICLKUHQVFKY-UHFFFAOYSA-N 1 2 331.268 3.753 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1C[N@@H+](CCO)Cc1cccs1 ZINC001236605744 1124567208 /nfs/dbraw/zinc/56/72/08/1124567208.db2.gz QWCICLKUHQVFKY-UHFFFAOYSA-N 1 2 331.268 3.753 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246943930 1124570520 /nfs/dbraw/zinc/57/05/20/1124570520.db2.gz SHFYRXLOIBTQJA-IAGOWNOFSA-N 1 2 332.806 3.654 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246943930 1124570524 /nfs/dbraw/zinc/57/05/24/1124570524.db2.gz SHFYRXLOIBTQJA-IAGOWNOFSA-N 1 2 332.806 3.654 20 0 EHADLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000248245876 1124647020 /nfs/dbraw/zinc/64/70/20/1124647020.db2.gz JPHQSUCNDXOWPZ-CHWSQXEVSA-N 1 2 328.909 3.728 20 0 EHADLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000248245876 1124647023 /nfs/dbraw/zinc/64/70/23/1124647023.db2.gz JPHQSUCNDXOWPZ-CHWSQXEVSA-N 1 2 328.909 3.728 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248913730 1124718926 /nfs/dbraw/zinc/71/89/26/1124718926.db2.gz VSHAIGFJNLEJRG-KXUCPTDWSA-N 1 2 331.243 3.899 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248913730 1124718933 /nfs/dbraw/zinc/71/89/33/1124718933.db2.gz VSHAIGFJNLEJRG-KXUCPTDWSA-N 1 2 331.243 3.899 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000088226855 1124758625 /nfs/dbraw/zinc/75/86/25/1124758625.db2.gz YENGIBRSLSARED-GOSISDBHSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000088226855 1124758631 /nfs/dbraw/zinc/75/86/31/1124758631.db2.gz YENGIBRSLSARED-GOSISDBHSA-N 1 2 346.377 3.577 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181330511 1124761668 /nfs/dbraw/zinc/76/16/68/1124761668.db2.gz DWILVCWXSVFOOI-ZDUSSCGKSA-N 1 2 338.427 3.992 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181330511 1124761673 /nfs/dbraw/zinc/76/16/73/1124761673.db2.gz DWILVCWXSVFOOI-ZDUSSCGKSA-N 1 2 338.427 3.992 20 0 EHADLO Cc1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000734835506 1131284461 /nfs/dbraw/zinc/28/44/61/1131284461.db2.gz XEOGHRXBIGFHIU-HNNXBMFYSA-N 1 2 346.475 3.864 20 0 EHADLO CC1(C)CCc2cc(C[NH2+][C@H](CO)c3c(F)cccc3F)ccc2O1 ZINC000734847969 1131285397 /nfs/dbraw/zinc/28/53/97/1131285397.db2.gz ZQHKOECGWQEYQG-QGZVFWFLSA-N 1 2 347.405 3.892 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000763495781 1124916855 /nfs/dbraw/zinc/91/68/55/1124916855.db2.gz NEZGMASCAKNRLF-OGGBREFQSA-N 1 2 348.661 3.705 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763495781 1124916860 /nfs/dbraw/zinc/91/68/60/1124916860.db2.gz NEZGMASCAKNRLF-OGGBREFQSA-N 1 2 348.661 3.705 20 0 EHADLO CCN(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056814 1124952619 /nfs/dbraw/zinc/95/26/19/1124952619.db2.gz VPYUBEHPWFHHCX-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO CCN(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056814 1124952625 /nfs/dbraw/zinc/95/26/25/1124952625.db2.gz VPYUBEHPWFHHCX-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1cc(NC(=O)c2oc3ccccc3c2Br)c(C)c[nH+]1 ZINC001127647230 1125015257 /nfs/dbraw/zinc/01/52/57/1125015257.db2.gz MJSLNAVLLOZYKK-UHFFFAOYSA-N 1 2 345.196 3.881 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2cccc3c[nH]nc32)o1 ZINC000092355623 1125087946 /nfs/dbraw/zinc/08/79/46/1125087946.db2.gz XNGGFYLKDSSALF-SFHVURJKSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2cccc3c[nH]nc32)o1 ZINC000092355623 1125087954 /nfs/dbraw/zinc/08/79/54/1125087954.db2.gz XNGGFYLKDSSALF-SFHVURJKSA-N 1 2 345.406 3.554 20 0 EHADLO CCOc1cc(C[NH2+]Cc2occc2Br)ccc1OC ZINC000735321354 1131331785 /nfs/dbraw/zinc/33/17/85/1131331785.db2.gz PJFLKVSKHHXTNS-UHFFFAOYSA-N 1 2 340.217 3.739 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000182121214 1125173967 /nfs/dbraw/zinc/17/39/67/1125173967.db2.gz JAZYKIUZKWBYQP-OAHLLOKOSA-N 1 2 345.748 3.585 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)n2c1 ZINC000093606534 1125274144 /nfs/dbraw/zinc/27/41/44/1125274144.db2.gz FTIZNPBMNQBUFI-KXBFYZLASA-N 1 2 339.414 3.744 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)NCCCCNc1cccc[nH+]1 ZINC000153082944 1125432112 /nfs/dbraw/zinc/43/21/12/1125432112.db2.gz HJWQCMPTGJURBY-OAHLLOKOSA-N 1 2 345.874 3.922 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1C ZINC000466087297 1129180735 /nfs/dbraw/zinc/18/07/35/1129180735.db2.gz QXKHYLXWPSSLDH-SJORKVTESA-N 1 2 345.487 3.817 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682532334 1129219918 /nfs/dbraw/zinc/21/99/18/1129219918.db2.gz TZAOHTCDXSZWRX-UWVAXJGDSA-N 1 2 337.467 3.521 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)ccn1 ZINC000347693688 1129257390 /nfs/dbraw/zinc/25/73/90/1129257390.db2.gz YTBWQJULGREOFS-MNOVXSKESA-N 1 2 330.413 3.614 20 0 EHADLO FC(F)n1ccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000347695505 1129284711 /nfs/dbraw/zinc/28/47/11/1129284711.db2.gz ZDKYQNATGOEAQE-AWEZNQCLSA-N 1 2 327.762 3.585 20 0 EHADLO FC(F)n1ccc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000347695505 1129284715 /nfs/dbraw/zinc/28/47/15/1129284715.db2.gz ZDKYQNATGOEAQE-AWEZNQCLSA-N 1 2 327.762 3.585 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000543206212 1129344567 /nfs/dbraw/zinc/34/45/67/1129344567.db2.gz RFGNNDUXSDNQLO-UZLBHIALSA-N 1 2 339.435 3.744 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000543206212 1129344569 /nfs/dbraw/zinc/34/45/69/1129344569.db2.gz RFGNNDUXSDNQLO-UZLBHIALSA-N 1 2 339.435 3.744 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068637544 1129386769 /nfs/dbraw/zinc/38/67/69/1129386769.db2.gz NMYQDJVLQDXAFX-UHFFFAOYSA-N 1 2 337.467 3.624 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1F ZINC000922242134 1129390634 /nfs/dbraw/zinc/39/06/34/1129390634.db2.gz DGRXBWYVBSQBGR-CQSZACIVSA-N 1 2 326.213 3.798 20 0 EHADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(O)c1Br)CC2 ZINC000657692785 1129461952 /nfs/dbraw/zinc/46/19/52/1129461952.db2.gz DLNQDLQGLOIRFF-AWEZNQCLSA-N 1 2 334.213 3.637 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2cccc(Cl)c2)CCC1 ZINC000118724407 1129520394 /nfs/dbraw/zinc/52/03/94/1129520394.db2.gz IUTOMJXKZHZVEV-UHFFFAOYSA-N 1 2 343.858 3.775 20 0 EHADLO COc1ccccc1-c1nc(C(=O)Nc2cc[nH+]c(C)c2)cs1 ZINC000123344778 1129523369 /nfs/dbraw/zinc/52/33/69/1129523369.db2.gz RSSQQKJZXZOQSR-UHFFFAOYSA-N 1 2 325.393 3.774 20 0 EHADLO Cc1cscc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000350503871 1129530558 /nfs/dbraw/zinc/53/05/58/1129530558.db2.gz AMAOCIHUULIWKP-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO C[C@H](CC(=O)OCc1ccc[nH+]c1N)c1ccc(C(F)(F)F)cc1 ZINC000922443500 1129534271 /nfs/dbraw/zinc/53/42/71/1129534271.db2.gz CPBWYERRMKXXPT-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nccc3ccsc32)c1C ZINC000624896475 1129539413 /nfs/dbraw/zinc/53/94/13/1129539413.db2.gz VXMXWJKOWUDBIC-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1OC(C)C ZINC000922471566 1129544647 /nfs/dbraw/zinc/54/46/47/1129544647.db2.gz WCASHKJSTDSTIX-UHFFFAOYSA-N 1 2 332.469 3.717 20 0 EHADLO CC[C@@H](C(=O)OCc1ccc(N)[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000922515329 1129559072 /nfs/dbraw/zinc/55/90/72/1129559072.db2.gz QPMZVOZPEBTQSQ-CQSZACIVSA-N 1 2 338.329 3.920 20 0 EHADLO CN(C)C(=O)c1cccc(CNc2[nH+]c3ccccc3n2CC2CC2)c1 ZINC000922559566 1129570592 /nfs/dbraw/zinc/57/05/92/1129570592.db2.gz KJPWYXRRESULBX-UHFFFAOYSA-N 1 2 348.450 3.760 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922576609 1129578274 /nfs/dbraw/zinc/57/82/74/1129578274.db2.gz UTONLTDPHSHRJR-NVXWUHKLSA-N 1 2 334.460 3.863 20 0 EHADLO Fc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1Br ZINC000922581872 1129581369 /nfs/dbraw/zinc/58/13/69/1129581369.db2.gz WTLCWIQRUAHAPV-CQSZACIVSA-N 1 2 336.208 3.619 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)Nc1cccc2ccccc21 ZINC000347725606 1129594557 /nfs/dbraw/zinc/59/45/57/1129594557.db2.gz WJSWEEIAXVDOJN-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)Nc1cccc2ccccc21 ZINC000347725606 1129594558 /nfs/dbraw/zinc/59/45/58/1129594558.db2.gz WJSWEEIAXVDOJN-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000624941594 1129610532 /nfs/dbraw/zinc/61/05/32/1129610532.db2.gz WPJZMKXOKBXWHR-AZKPJATDSA-N 1 2 333.819 3.524 20 0 EHADLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cc(F)ccc1OC ZINC000922779033 1129661156 /nfs/dbraw/zinc/66/11/56/1129661156.db2.gz QXLQZTBYOVVKAF-QGZVFWFLSA-N 1 2 345.418 3.797 20 0 EHADLO CC(C)C1CCC(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428991375 1129671391 /nfs/dbraw/zinc/67/13/91/1129671391.db2.gz HXKUPINAFZGHID-UHFFFAOYSA-N 1 2 346.519 3.823 20 0 EHADLO Cc1cnc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)s1 ZINC000428994208 1129676862 /nfs/dbraw/zinc/67/68/62/1129676862.db2.gz OVTHZAZNMFQTPR-NSHDSACASA-N 1 2 339.867 3.955 20 0 EHADLO Cc1cnc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)s1 ZINC000428994208 1129676867 /nfs/dbraw/zinc/67/68/67/1129676867.db2.gz OVTHZAZNMFQTPR-NSHDSACASA-N 1 2 339.867 3.955 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000922878030 1129700982 /nfs/dbraw/zinc/70/09/82/1129700982.db2.gz VTQPZSVBFNGXJI-OAHLLOKOSA-N 1 2 333.229 3.717 20 0 EHADLO O=C(NC[C@H]1CCCC12CC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000625011217 1129707286 /nfs/dbraw/zinc/70/72/86/1129707286.db2.gz DXCLGVWAFPVVFP-GOSISDBHSA-N 1 2 344.503 3.665 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000429057230 1129728800 /nfs/dbraw/zinc/72/88/00/1129728800.db2.gz YJQJUUGKGGTCAA-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000429057230 1129728805 /nfs/dbraw/zinc/72/88/05/1129728805.db2.gz YJQJUUGKGGTCAA-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000429066715 1129736791 /nfs/dbraw/zinc/73/67/91/1129736791.db2.gz VUMYHBQGQFCKNE-LPHOPBHVSA-N 1 2 337.467 3.927 20 0 EHADLO C[N@@H+](Cc1ccncc1Br)C[C@H]1OCCc2ccccc21 ZINC000625129670 1129739883 /nfs/dbraw/zinc/73/98/83/1129739883.db2.gz NLSZOYUZEPOAIU-QGZVFWFLSA-N 1 2 347.256 3.590 20 0 EHADLO C[N@H+](Cc1ccncc1Br)C[C@H]1OCCc2ccccc21 ZINC000625129670 1129739886 /nfs/dbraw/zinc/73/98/86/1129739886.db2.gz NLSZOYUZEPOAIU-QGZVFWFLSA-N 1 2 347.256 3.590 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@@H+](CCOC1CCOCC1)C2 ZINC000625132834 1129740882 /nfs/dbraw/zinc/74/08/82/1129740882.db2.gz HXJOBIPITBCZGY-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@H+](CCOC1CCOCC1)C2 ZINC000625132834 1129740885 /nfs/dbraw/zinc/74/08/85/1129740885.db2.gz HXJOBIPITBCZGY-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)no1 ZINC000282420393 1129771875 /nfs/dbraw/zinc/77/18/75/1129771875.db2.gz CSQAMJMSUYCFDA-MFKMUULPSA-N 1 2 337.217 3.920 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C(F)F)nc1 ZINC000657919045 1129777198 /nfs/dbraw/zinc/77/71/98/1129777198.db2.gz XDZQLKBBGJFUCF-LKFCYVNXSA-N 1 2 328.309 3.682 20 0 EHADLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000429111433 1129777411 /nfs/dbraw/zinc/77/74/11/1129777411.db2.gz CJAHDVYGGGAQFS-AWEZNQCLSA-N 1 2 349.406 3.654 20 0 EHADLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000429111433 1129777415 /nfs/dbraw/zinc/77/74/15/1129777415.db2.gz CJAHDVYGGGAQFS-AWEZNQCLSA-N 1 2 349.406 3.654 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)c(C)c1OC ZINC000347788440 1129779910 /nfs/dbraw/zinc/77/99/10/1129779910.db2.gz UBSVQDFJEOWXOQ-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(C)c1OC ZINC000347788440 1129779912 /nfs/dbraw/zinc/77/99/12/1129779912.db2.gz UBSVQDFJEOWXOQ-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3csc4ccccc34)[nH+]c12 ZINC000673724042 1129811705 /nfs/dbraw/zinc/81/17/05/1129811705.db2.gz CMAAXCUCQWLDBP-UHFFFAOYSA-N 1 2 349.459 3.759 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H](C)c3cccc(F)c3)[nH+]c12 ZINC000673725315 1129812073 /nfs/dbraw/zinc/81/20/73/1129812073.db2.gz UROFBEXBDXJKQA-HNNXBMFYSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H](C)c3ccccc3F)[nH+]c12 ZINC000673726429 1129812188 /nfs/dbraw/zinc/81/21/88/1129812188.db2.gz JHVBSMYOPRMHAU-HNNXBMFYSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)[nH+]c12 ZINC000673775605 1129839249 /nfs/dbraw/zinc/83/92/49/1129839249.db2.gz BFQVREJMIFVWRN-APWZRJJASA-N 1 2 348.450 3.588 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@H](c3ccccc3)C3CC3)[nH+]c12 ZINC000673769887 1129842411 /nfs/dbraw/zinc/84/24/11/1129842411.db2.gz MHARMCLEGBAKFO-LJQANCHMSA-N 1 2 348.450 3.636 20 0 EHADLO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000625378055 1129845980 /nfs/dbraw/zinc/84/59/80/1129845980.db2.gz IPKCLFSQBLPNQT-QMMMGPOBSA-N 1 2 334.338 3.644 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429138335 1129851325 /nfs/dbraw/zinc/85/13/25/1129851325.db2.gz VNESMOULDWPJHK-JKSUJKDBSA-N 1 2 338.451 3.859 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429138335 1129851330 /nfs/dbraw/zinc/85/13/30/1129851330.db2.gz VNESMOULDWPJHK-JKSUJKDBSA-N 1 2 338.451 3.859 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC000673799151 1129852388 /nfs/dbraw/zinc/85/23/88/1129852388.db2.gz ZUSCOBLXURGKEH-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cncc(F)c1 ZINC000429137366 1129853456 /nfs/dbraw/zinc/85/34/56/1129853456.db2.gz SQYDJYYEGQKONA-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cncc(F)c1 ZINC000429137366 1129853462 /nfs/dbraw/zinc/85/34/62/1129853462.db2.gz SQYDJYYEGQKONA-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000543504438 1129904884 /nfs/dbraw/zinc/90/48/84/1129904884.db2.gz NDBCWACJTNSHCT-VQIMIIECSA-N 1 2 342.487 3.724 20 0 EHADLO Ic1cnc(C[N@@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000347839483 1129910861 /nfs/dbraw/zinc/91/08/61/1129910861.db2.gz DCDGKIQFJMHNLI-SNVBAGLBSA-N 1 2 348.253 3.512 20 0 EHADLO Ic1cnc(C[N@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000347839483 1129910865 /nfs/dbraw/zinc/91/08/65/1129910865.db2.gz DCDGKIQFJMHNLI-SNVBAGLBSA-N 1 2 348.253 3.512 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030030050 1129911416 /nfs/dbraw/zinc/91/14/16/1129911416.db2.gz GKXNOENFDQYREZ-QGZVFWFLSA-N 1 2 340.492 3.756 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030030050 1129911417 /nfs/dbraw/zinc/91/14/17/1129911417.db2.gz GKXNOENFDQYREZ-QGZVFWFLSA-N 1 2 340.492 3.756 20 0 EHADLO C[C@H](CO)C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625515021 1129912415 /nfs/dbraw/zinc/91/24/15/1129912415.db2.gz XDEKOLKOXCPTJC-SNVBAGLBSA-N 1 2 348.231 3.568 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1c(F)cccc1F ZINC000186929060 1129920107 /nfs/dbraw/zinc/92/01/07/1129920107.db2.gz NSJCZJIXRAWXTR-UHFFFAOYSA-N 1 2 344.405 3.896 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1c(F)cccc1F ZINC000186929060 1129920110 /nfs/dbraw/zinc/92/01/10/1129920110.db2.gz NSJCZJIXRAWXTR-UHFFFAOYSA-N 1 2 344.405 3.896 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009640 1129956652 /nfs/dbraw/zinc/95/66/52/1129956652.db2.gz LKNFNBWFLWYBFD-FOIQADDNSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009640 1129956654 /nfs/dbraw/zinc/95/66/54/1129956654.db2.gz LKNFNBWFLWYBFD-FOIQADDNSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012141 1129959313 /nfs/dbraw/zinc/95/93/13/1129959313.db2.gz YMPQRMYDDAOEBN-JXXFODFXSA-N 1 2 340.442 3.881 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012141 1129959315 /nfs/dbraw/zinc/95/93/15/1129959315.db2.gz YMPQRMYDDAOEBN-JXXFODFXSA-N 1 2 340.442 3.881 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000171017632 1129998895 /nfs/dbraw/zinc/99/88/95/1129998895.db2.gz APTMACZUNGMAPI-UHFFFAOYSA-N 1 2 345.446 3.588 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000674097740 1130002899 /nfs/dbraw/zinc/00/28/99/1130002899.db2.gz NGPOSJKWEFLZOY-QAPCUYQASA-N 1 2 325.456 3.646 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)C1CCCC1 ZINC000674134111 1130013926 /nfs/dbraw/zinc/01/39/26/1130013926.db2.gz FXAAZZBGPIOXRM-HOTGVXAUSA-N 1 2 332.463 3.857 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc(Cl)c1 ZINC000674255285 1130034497 /nfs/dbraw/zinc/03/44/97/1130034497.db2.gz HJZGHEQJGFJBEG-MRXNPFEDSA-N 1 2 333.794 3.604 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674390357 1130082784 /nfs/dbraw/zinc/08/27/84/1130082784.db2.gz UZOHTWGDGMLQMN-UWJYYQICSA-N 1 2 349.478 3.590 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674852491 1130207948 /nfs/dbraw/zinc/20/79/48/1130207948.db2.gz GWSJRPOFOOTTRD-KRWDZBQOSA-N 1 2 349.438 3.597 20 0 EHADLO CCOc1ccc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)nc1 ZINC000674865340 1130211732 /nfs/dbraw/zinc/21/17/32/1130211732.db2.gz DMGXYLRPWKOGGM-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)nc1 ZINC000674865340 1130211738 /nfs/dbraw/zinc/21/17/38/1130211738.db2.gz DMGXYLRPWKOGGM-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CCOc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000674866183 1130212647 /nfs/dbraw/zinc/21/26/47/1130212647.db2.gz FGYMPWGRSJGVMF-VXGBXAGGSA-N 1 2 342.283 3.653 20 0 EHADLO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000674909749 1130222885 /nfs/dbraw/zinc/22/28/85/1130222885.db2.gz TWYAHIJDLPYSFP-GFCCVEGCSA-N 1 2 342.374 3.607 20 0 EHADLO Fc1ccc2oc(C[N@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000674909749 1130222891 /nfs/dbraw/zinc/22/28/91/1130222891.db2.gz TWYAHIJDLPYSFP-GFCCVEGCSA-N 1 2 342.374 3.607 20 0 EHADLO Clc1cccc2c1OC[C@@H]2[NH2+]Cc1ccc(Br)cn1 ZINC000675103390 1130253856 /nfs/dbraw/zinc/25/38/56/1130253856.db2.gz QZAZLVAVNAWSJM-ZDUSSCGKSA-N 1 2 339.620 3.721 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675452969 1130383584 /nfs/dbraw/zinc/38/35/84/1130383584.db2.gz SMTPMRXKWPCUOZ-LBPRGKRZSA-N 1 2 341.308 3.518 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c(Br)c1 ZINC000658335788 1130395044 /nfs/dbraw/zinc/39/50/44/1130395044.db2.gz GNMZSWJWPOHBEN-MNOVXSKESA-N 1 2 338.249 3.603 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)ccc1F ZINC000675622953 1130432301 /nfs/dbraw/zinc/43/23/01/1130432301.db2.gz YCJQUXWCBGQJTF-OAHLLOKOSA-N 1 2 333.432 3.680 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)ccc1F ZINC000675622953 1130432304 /nfs/dbraw/zinc/43/23/04/1130432304.db2.gz YCJQUXWCBGQJTF-OAHLLOKOSA-N 1 2 333.432 3.680 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)cs1 ZINC000675643982 1130437842 /nfs/dbraw/zinc/43/78/42/1130437842.db2.gz PXNGWDAJUKJIAH-KRWDZBQOSA-N 1 2 329.469 3.857 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)cs1 ZINC000675643982 1130437846 /nfs/dbraw/zinc/43/78/46/1130437846.db2.gz PXNGWDAJUKJIAH-KRWDZBQOSA-N 1 2 329.469 3.857 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1Cl ZINC000675893666 1130497184 /nfs/dbraw/zinc/49/71/84/1130497184.db2.gz OYKCPVIGMFWIMM-GFCCVEGCSA-N 1 2 337.851 3.985 20 0 EHADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000676042694 1130523102 /nfs/dbraw/zinc/52/31/02/1130523102.db2.gz CCFNGBVSVQFWBK-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000676042694 1130523108 /nfs/dbraw/zinc/52/31/08/1130523108.db2.gz CCFNGBVSVQFWBK-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO CCCCn1c(SC[C@H]2CCCOC2)nnc1[C@H](CC)[NH+](C)C ZINC000676234994 1130551717 /nfs/dbraw/zinc/55/17/17/1130551717.db2.gz XSOSQGDZOOCXTH-GJZGRUSLSA-N 1 2 340.537 3.610 20 0 EHADLO COc1cc(F)c([C@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1OC ZINC000536840622 1130594119 /nfs/dbraw/zinc/59/41/19/1130594119.db2.gz PHNHAZGFJVCLPA-UGSOOPFHSA-N 1 2 344.430 3.680 20 0 EHADLO COc1cc(F)c([C@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1OC ZINC000536840622 1130594124 /nfs/dbraw/zinc/59/41/24/1130594124.db2.gz PHNHAZGFJVCLPA-UGSOOPFHSA-N 1 2 344.430 3.680 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(C)n(CCc2cccs2)c1=S ZINC000727825456 1130601443 /nfs/dbraw/zinc/60/14/43/1130601443.db2.gz SFCVWMOJMQYNBB-AWEZNQCLSA-N 1 2 336.530 3.859 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(C)n(CCc2cccs2)c1=S ZINC000727825456 1130601446 /nfs/dbraw/zinc/60/14/46/1130601446.db2.gz SFCVWMOJMQYNBB-AWEZNQCLSA-N 1 2 336.530 3.859 20 0 EHADLO COc1ccccc1/C(C)=C\C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727862130 1130603102 /nfs/dbraw/zinc/60/31/02/1130603102.db2.gz BOPWTFBSBXZEHP-WTQUMQLASA-N 1 2 341.455 3.526 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000729967240 1130660689 /nfs/dbraw/zinc/66/06/89/1130660689.db2.gz GCNWQUPVOXFTDA-ZDUSSCGKSA-N 1 2 341.361 3.647 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000730024572 1130664360 /nfs/dbraw/zinc/66/43/60/1130664360.db2.gz NYAOMARUCGKNOQ-OLZOCXBDSA-N 1 2 328.441 3.547 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000730545720 1130718705 /nfs/dbraw/zinc/71/87/05/1130718705.db2.gz MNUVDNBWGPSYJF-SNVBAGLBSA-N 1 2 343.424 3.737 20 0 EHADLO S=C(NCCNc1cccc[nH+]1)Nc1ccc(Cl)cc1Cl ZINC000730593407 1130721631 /nfs/dbraw/zinc/72/16/31/1130721631.db2.gz RUGFAPKDAXXZFF-UHFFFAOYSA-N 1 2 341.267 3.787 20 0 EHADLO CC1CCC(OC2CC[NH+](CC(=O)OCc3ccccc3)CC2)CC1 ZINC000731032522 1130761911 /nfs/dbraw/zinc/76/19/11/1130761911.db2.gz CQKZBVVHLBSDAD-UHFFFAOYSA-N 1 2 345.483 3.790 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732755745 1130954168 /nfs/dbraw/zinc/95/41/68/1130954168.db2.gz VZNVWDUWTHMSFI-ZWKOTPCHSA-N 1 2 327.472 3.683 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989691 1130979885 /nfs/dbraw/zinc/97/98/85/1130979885.db2.gz SRADDHFNSMFJCB-XWIAVFTESA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989691 1130979890 /nfs/dbraw/zinc/97/98/90/1130979890.db2.gz SRADDHFNSMFJCB-XWIAVFTESA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccccn1 ZINC000282595399 1131115697 /nfs/dbraw/zinc/11/56/97/1131115697.db2.gz VYMWJEUKMNPYOL-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccccn1 ZINC000282595399 1131115702 /nfs/dbraw/zinc/11/57/02/1131115702.db2.gz VYMWJEUKMNPYOL-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000348041812 1131135288 /nfs/dbraw/zinc/13/52/88/1131135288.db2.gz INVFRSMQEUJPHZ-LLVKDONJSA-N 1 2 329.350 3.544 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000348041812 1131135293 /nfs/dbraw/zinc/13/52/93/1131135293.db2.gz INVFRSMQEUJPHZ-LLVKDONJSA-N 1 2 329.350 3.544 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000626092784 1131153412 /nfs/dbraw/zinc/15/34/12/1131153412.db2.gz FRTYFASUAAXNNY-DYVFJYSZSA-N 1 2 349.837 3.718 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000177196619 1131160055 /nfs/dbraw/zinc/16/00/55/1131160055.db2.gz RDOOPZJMWLSMNH-YJYMSZOUSA-N 1 2 339.464 3.962 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000177196619 1131160058 /nfs/dbraw/zinc/16/00/58/1131160058.db2.gz RDOOPZJMWLSMNH-YJYMSZOUSA-N 1 2 339.464 3.962 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000736312193 1131416090 /nfs/dbraw/zinc/41/60/90/1131416090.db2.gz QYTXXFQSTJYBIC-UHFFFAOYSA-N 1 2 336.414 3.786 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2CCC[C@@H](CC)CC2)nc1C(F)(F)F ZINC000738256401 1131465010 /nfs/dbraw/zinc/46/50/10/1131465010.db2.gz SYPYCUXPKFJXTN-GFCCVEGCSA-N 1 2 347.381 3.548 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2CCC[C@@H](CC)CC2)nc1C(F)(F)F ZINC000738256401 1131465012 /nfs/dbraw/zinc/46/50/12/1131465012.db2.gz SYPYCUXPKFJXTN-GFCCVEGCSA-N 1 2 347.381 3.548 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000738300625 1131467180 /nfs/dbraw/zinc/46/71/80/1131467180.db2.gz ZBFUDOHKTWHKGE-MRXNPFEDSA-N 1 2 332.488 3.839 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000738300625 1131467182 /nfs/dbraw/zinc/46/71/82/1131467182.db2.gz ZBFUDOHKTWHKGE-MRXNPFEDSA-N 1 2 332.488 3.839 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000738300623 1131467421 /nfs/dbraw/zinc/46/74/21/1131467421.db2.gz ZBFUDOHKTWHKGE-INIZCTEOSA-N 1 2 332.488 3.839 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000738300623 1131467422 /nfs/dbraw/zinc/46/74/22/1131467422.db2.gz ZBFUDOHKTWHKGE-INIZCTEOSA-N 1 2 332.488 3.839 20 0 EHADLO CC(=O)Nc1ccc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1C ZINC000738920659 1131491388 /nfs/dbraw/zinc/49/13/88/1131491388.db2.gz VAQBSYYZPMCIII-UHFFFAOYSA-N 1 2 337.383 3.554 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000741029345 1131571442 /nfs/dbraw/zinc/57/14/42/1131571442.db2.gz NSFFBWFCBJDEEM-HZPDHXFCSA-N 1 2 343.467 3.554 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146574 1131582898 /nfs/dbraw/zinc/58/28/98/1131582898.db2.gz MKGFYKFQIIZRIE-MRXNPFEDSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146574 1131582903 /nfs/dbraw/zinc/58/29/03/1131582903.db2.gz MKGFYKFQIIZRIE-MRXNPFEDSA-N 1 2 334.803 3.523 20 0 EHADLO O=C(OCc1ccc(Cl)nc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350906 1131598224 /nfs/dbraw/zinc/59/82/24/1131598224.db2.gz IVHYOXGGNIYZJQ-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1ccc(Cl)nc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350906 1131598227 /nfs/dbraw/zinc/59/82/27/1131598227.db2.gz IVHYOXGGNIYZJQ-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO COc1ccccc1COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356557 1131598693 /nfs/dbraw/zinc/59/86/93/1131598693.db2.gz XWKDDNPLLRUNTM-IBGZPJMESA-N 1 2 339.435 3.793 20 0 EHADLO COc1ccccc1COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356557 1131598694 /nfs/dbraw/zinc/59/86/94/1131598694.db2.gz XWKDDNPLLRUNTM-IBGZPJMESA-N 1 2 339.435 3.793 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2C2CCCCC2)c1C ZINC000065304187 1131602370 /nfs/dbraw/zinc/60/23/70/1131602370.db2.gz FVNJTROWTFIZMU-SFHVURJKSA-N 1 2 345.487 3.961 20 0 EHADLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1occc1Br ZINC000742376686 1131717907 /nfs/dbraw/zinc/71/79/07/1131717907.db2.gz CGYZVOYBFBZXDT-CYBMUJFWSA-N 1 2 338.201 3.664 20 0 EHADLO Cc1cccc(C(F)(F)F)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669022 1131768888 /nfs/dbraw/zinc/76/88/88/1131768888.db2.gz CRKYGVZCOUIVCL-UHFFFAOYSA-N 1 2 336.357 3.934 20 0 EHADLO Oc1ccc(Cl)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1Cl ZINC001212670088 1131778833 /nfs/dbraw/zinc/77/88/33/1131778833.db2.gz GQWTVOMQSPVEDP-UHFFFAOYSA-N 1 2 339.222 3.619 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cc4ccccn4)cc3)cc2)C1 ZINC001212670475 1131780553 /nfs/dbraw/zinc/78/05/53/1131780553.db2.gz ZMQWGFSREIDQTQ-UHFFFAOYSA-N 1 2 345.446 3.593 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Oc4ccncc4)cc3)cc2)C1 ZINC001212668110 1131784111 /nfs/dbraw/zinc/78/41/11/1131784111.db2.gz HVYZLPGAONSONO-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO CC(C)(C)Oc1cccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212673677 1131796579 /nfs/dbraw/zinc/79/65/79/1131796579.db2.gz UCDGSBIDULDVRW-UHFFFAOYSA-N 1 2 326.440 3.784 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001172722092 1131821753 /nfs/dbraw/zinc/82/17/53/1131821753.db2.gz OHQPEIBGHUMUBL-HNNXBMFYSA-N 1 2 349.659 3.981 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001172722092 1131821756 /nfs/dbraw/zinc/82/17/56/1131821756.db2.gz OHQPEIBGHUMUBL-HNNXBMFYSA-N 1 2 349.659 3.981 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723809 1131824674 /nfs/dbraw/zinc/82/46/74/1131824674.db2.gz JEVVNTCNOSEEEO-LJQANCHMSA-N 1 2 346.902 3.532 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)[C@@H]2C ZINC001172730326 1131827498 /nfs/dbraw/zinc/82/74/98/1131827498.db2.gz DJGNCVWMBUTNRR-OAHLLOKOSA-N 1 2 345.487 3.939 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)[C@@H]2C ZINC001172730326 1131827505 /nfs/dbraw/zinc/82/75/05/1131827505.db2.gz DJGNCVWMBUTNRR-OAHLLOKOSA-N 1 2 345.487 3.939 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001172868354 1131861832 /nfs/dbraw/zinc/86/18/32/1131861832.db2.gz GDJRGQIGCZCEFJ-LLVKDONJSA-N 1 2 338.776 3.590 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001172868418 1131863292 /nfs/dbraw/zinc/86/32/92/1131863292.db2.gz HJNVMAYRNSNPTI-FZKQIMNGSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001172868418 1131863298 /nfs/dbraw/zinc/86/32/98/1131863298.db2.gz HJNVMAYRNSNPTI-FZKQIMNGSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC001172853540 1131871894 /nfs/dbraw/zinc/87/18/94/1131871894.db2.gz MNHJGDDCOXIBFG-CQSZACIVSA-N 1 2 336.838 3.821 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172863912 1131881434 /nfs/dbraw/zinc/88/14/34/1131881434.db2.gz REDHPSJECWXLCD-SSDOTTSWSA-N 1 2 337.704 3.602 20 0 EHADLO O=c1[nH]cc(Br)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693450 1131906896 /nfs/dbraw/zinc/90/68/96/1131906896.db2.gz XJZBYMZAFJEKMQ-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO CC(=O)N1CCc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212695417 1131927547 /nfs/dbraw/zinc/92/75/47/1131927547.db2.gz GFJKVCAAFSRVNG-UHFFFAOYSA-N 1 2 332.407 3.584 20 0 EHADLO COC(Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1)OC ZINC001212696857 1131935274 /nfs/dbraw/zinc/93/52/74/1131935274.db2.gz QHYSUWBGNAEPNX-UHFFFAOYSA-N 1 2 337.423 3.836 20 0 EHADLO CCN1Cc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2C1=O ZINC001212697582 1131936813 /nfs/dbraw/zinc/93/68/13/1131936813.db2.gz HHHTWBZMPIPSRJ-UHFFFAOYSA-N 1 2 332.407 3.651 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001173082290 1131961626 /nfs/dbraw/zinc/96/16/26/1131961626.db2.gz KYJLDXKJBAKVAV-SMDDNHRTSA-N 1 2 347.377 3.694 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083712 1131963360 /nfs/dbraw/zinc/96/33/60/1131963360.db2.gz VIEVBKFECNPJFP-WFASDCNBSA-N 1 2 347.377 3.694 20 0 EHADLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117711 1131973055 /nfs/dbraw/zinc/97/30/55/1131973055.db2.gz ULWKJCSVVIPXEA-IBGZPJMESA-N 1 2 345.483 3.959 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CCC4(CCCC4)C3)c(=O)c2c(C)c1C ZINC000744434342 1132098491 /nfs/dbraw/zinc/09/84/91/1132098491.db2.gz AIVWDHWWKLBHIZ-UHFFFAOYSA-N 1 2 331.485 3.607 20 0 EHADLO Cc1nc2sn(C[N@H+]3CCC4(CCCC4)C3)c(=O)c2c(C)c1C ZINC000744434342 1132098499 /nfs/dbraw/zinc/09/84/99/1132098499.db2.gz AIVWDHWWKLBHIZ-UHFFFAOYSA-N 1 2 331.485 3.607 20 0 EHADLO CCOc1ccccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001173848361 1132154267 /nfs/dbraw/zinc/15/42/67/1132154267.db2.gz TZECUXHIJUCYIC-GASCZTMLSA-N 1 2 327.428 3.838 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088745 1132191634 /nfs/dbraw/zinc/19/16/34/1132191634.db2.gz OHBRJXUFODUEEU-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088745 1132191637 /nfs/dbraw/zinc/19/16/37/1132191637.db2.gz OHBRJXUFODUEEU-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCCc1cccc(OC)c1)c1ccccc1 ZINC000745099036 1132193946 /nfs/dbraw/zinc/19/39/46/1132193946.db2.gz GFNBKPBHMNBJPE-HXUWFJFHSA-N 1 2 341.451 3.864 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCCc1cccc(OC)c1)c1ccccc1 ZINC000745099036 1132193951 /nfs/dbraw/zinc/19/39/51/1132193951.db2.gz GFNBKPBHMNBJPE-HXUWFJFHSA-N 1 2 341.451 3.864 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2NC2=CCCC2)C1 ZINC001174000226 1132198912 /nfs/dbraw/zinc/19/89/12/1132198912.db2.gz ZTJYDDPPNOJTMZ-OAHLLOKOSA-N 1 2 344.459 3.665 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001174054738 1132209834 /nfs/dbraw/zinc/20/98/34/1132209834.db2.gz YEZVXRMZUFEOSJ-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO COCc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001174092688 1132225784 /nfs/dbraw/zinc/22/57/84/1132225784.db2.gz FQDDSWCJPGCCSS-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001174073861 1132234957 /nfs/dbraw/zinc/23/49/57/1132234957.db2.gz LSQHNCSDYSVFNX-UHFFFAOYSA-N 1 2 333.391 3.769 20 0 EHADLO Cc1cn2c(cccc2Nc2cccc(C(=O)NCc3ccco3)c2)[nH+]1 ZINC001174197727 1132279994 /nfs/dbraw/zinc/27/99/94/1132279994.db2.gz YHHQLOOIZVMCGL-UHFFFAOYSA-N 1 2 346.390 3.909 20 0 EHADLO CC1CCN(C(=O)c2cccc(Nc3ccc(N(C)C)[nH+]c3)c2)CC1 ZINC001174203004 1132283245 /nfs/dbraw/zinc/28/32/45/1132283245.db2.gz ZPWCFNWZZYYFRM-UHFFFAOYSA-N 1 2 338.455 3.763 20 0 EHADLO Cn1ncc2ccc(Nc3cc(Br)cn4cc[nH+]c34)cc21 ZINC001174338543 1132323082 /nfs/dbraw/zinc/32/30/82/1132323082.db2.gz NMJRJOPXZKTUSZ-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO COC(=O)c1cc(O)cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174382715 1132344751 /nfs/dbraw/zinc/34/47/51/1132344751.db2.gz COJXSIXLULNSRI-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cc(Nc3[nH+]cccc3N)ccc2C1 ZINC001174435748 1132353577 /nfs/dbraw/zinc/35/35/77/1132353577.db2.gz PPYOXRPVSHBEMW-UHFFFAOYSA-N 1 2 340.427 3.701 20 0 EHADLO Cc1c(F)ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1F ZINC001174434346 1132353682 /nfs/dbraw/zinc/35/36/82/1132353682.db2.gz JKXKTULRKOWQJA-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO CCS(=O)(=O)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001174460651 1132376413 /nfs/dbraw/zinc/37/64/13/1132376413.db2.gz BSYUQFZCAHGPFX-UHFFFAOYSA-N 1 2 345.468 3.609 20 0 EHADLO CCC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746144503 1132383874 /nfs/dbraw/zinc/38/38/74/1132383874.db2.gz WNSNGXFTSPUAMD-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746144503 1132383881 /nfs/dbraw/zinc/38/38/81/1132383881.db2.gz WNSNGXFTSPUAMD-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CCN1Cc2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc2C1=O ZINC001174523561 1132400099 /nfs/dbraw/zinc/40/00/99/1132400099.db2.gz ORJHBEJJRGEYIQ-UHFFFAOYSA-N 1 2 336.439 3.791 20 0 EHADLO O=C1CCOc2c(Nc3ccc(N4CCCCC4)[nH+]c3)ccc(F)c21 ZINC001174524268 1132401519 /nfs/dbraw/zinc/40/15/19/1132401519.db2.gz CFJWCNLGRWHLKD-UHFFFAOYSA-N 1 2 341.386 3.920 20 0 EHADLO CCO[C@H](C)n1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001174690964 1132438013 /nfs/dbraw/zinc/43/80/13/1132438013.db2.gz LOKZQGPZFRTXFO-GFCCVEGCSA-N 1 2 347.419 3.924 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001174656111 1132440045 /nfs/dbraw/zinc/44/00/45/1132440045.db2.gz JHPDCNXMWAWNLK-UHFFFAOYSA-N 1 2 343.471 3.651 20 0 EHADLO COc1cccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)c1 ZINC000192817691 1132476723 /nfs/dbraw/zinc/47/67/23/1132476723.db2.gz ZPUQNLBZHKBKII-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO COc1cccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)c1 ZINC000192817691 1132476728 /nfs/dbraw/zinc/47/67/28/1132476728.db2.gz ZPUQNLBZHKBKII-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000193522903 1132481363 /nfs/dbraw/zinc/48/13/63/1132481363.db2.gz BQFGXOGRQGDPOW-OAHLLOKOSA-N 1 2 326.444 3.668 20 0 EHADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000193522903 1132481367 /nfs/dbraw/zinc/48/13/67/1132481367.db2.gz BQFGXOGRQGDPOW-OAHLLOKOSA-N 1 2 326.444 3.668 20 0 EHADLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)F)c1 ZINC000780691172 1132483394 /nfs/dbraw/zinc/48/33/94/1132483394.db2.gz GCFUTZCIBSXGML-UHFFFAOYSA-N 1 2 349.362 3.611 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000194226448 1132487295 /nfs/dbraw/zinc/48/72/95/1132487295.db2.gz GAMOPMIKZFOSMM-SFHVURJKSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)OCc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174977770 1132510995 /nfs/dbraw/zinc/51/09/95/1132510995.db2.gz PMUUDPRQUYECAW-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO c1cc(Cc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)ccn1 ZINC001174977165 1132511894 /nfs/dbraw/zinc/51/18/94/1132511894.db2.gz OEKWQQMDRAAZCJ-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cnn(-c4ccccc4)c3)nc2c1 ZINC000766377141 1132526214 /nfs/dbraw/zinc/52/62/14/1132526214.db2.gz GNIBRNPWUJGTOT-HNNXBMFYSA-N 1 2 331.423 3.908 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3cnn(-c4ccccc4)c3)[nH]c2c1 ZINC000766377141 1132526218 /nfs/dbraw/zinc/52/62/18/1132526218.db2.gz GNIBRNPWUJGTOT-HNNXBMFYSA-N 1 2 331.423 3.908 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766400361 1132529951 /nfs/dbraw/zinc/52/99/51/1132529951.db2.gz DBXLVJVSYQRKIC-WCQYABFASA-N 1 2 325.416 3.910 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001175092663 1132565831 /nfs/dbraw/zinc/56/58/31/1132565831.db2.gz NGNIXLYYNNZVOI-OKILXGFUSA-N 1 2 342.443 3.541 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001175092663 1132565839 /nfs/dbraw/zinc/56/58/39/1132565839.db2.gz NGNIXLYYNNZVOI-OKILXGFUSA-N 1 2 342.443 3.541 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cc3c(cc2Cl)OCCO3)c1C ZINC001175128130 1132574444 /nfs/dbraw/zinc/57/44/44/1132574444.db2.gz IPLJUOJRXODZNP-UHFFFAOYSA-N 1 2 349.862 3.576 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)c1C ZINC001175128130 1132574450 /nfs/dbraw/zinc/57/44/50/1132574450.db2.gz IPLJUOJRXODZNP-UHFFFAOYSA-N 1 2 349.862 3.576 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cccc2C(=O)C(F)(F)F)c[nH+]1 ZINC001175344393 1132628224 /nfs/dbraw/zinc/62/82/24/1132628224.db2.gz RPJORVVNHHGKEO-UHFFFAOYSA-N 1 2 327.281 3.775 20 0 EHADLO CN(C)c1ccc(Nc2ccc(N3CCSCC3)c(F)c2)c[nH+]1 ZINC001175346716 1132629372 /nfs/dbraw/zinc/62/93/72/1132629372.db2.gz ZJZNLKICERQMCT-UHFFFAOYSA-N 1 2 332.448 3.584 20 0 EHADLO Fc1cnc(NCCc2cn3ccccc3[nH+]2)nc1Oc1ccccc1 ZINC001169003740 1132630450 /nfs/dbraw/zinc/63/04/50/1132630450.db2.gz CGOLBEMJLAVCPH-UHFFFAOYSA-N 1 2 349.369 3.710 20 0 EHADLO Cc1nccc(-c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)n1 ZINC001169005162 1132630525 /nfs/dbraw/zinc/63/05/25/1132630525.db2.gz ZNLASSQXQFNYMO-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000121330913 1132634644 /nfs/dbraw/zinc/63/46/44/1132634644.db2.gz KMFGMKYKOBCTKT-CYBMUJFWSA-N 1 2 326.535 3.744 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000121330913 1132634645 /nfs/dbraw/zinc/63/46/45/1132634645.db2.gz KMFGMKYKOBCTKT-CYBMUJFWSA-N 1 2 326.535 3.744 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)CCS1 ZINC001169024429 1132640085 /nfs/dbraw/zinc/64/00/85/1132640085.db2.gz MQNZZAFAJXIFMR-MRXNPFEDSA-N 1 2 337.485 3.517 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)CCS1 ZINC001169024429 1132640090 /nfs/dbraw/zinc/64/00/90/1132640090.db2.gz MQNZZAFAJXIFMR-MRXNPFEDSA-N 1 2 337.485 3.517 20 0 EHADLO CCCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175349787 1132645359 /nfs/dbraw/zinc/64/53/59/1132645359.db2.gz QBOCGHOLWMVUSH-UHFFFAOYSA-N 1 2 325.412 3.992 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC001175351492 1132646277 /nfs/dbraw/zinc/64/62/77/1132646277.db2.gz NSNVZFYISKHXQI-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO CCOC(=O)C[N@H+](CCSc1cccc(Cl)c1)C1CCC1 ZINC001169073381 1132651736 /nfs/dbraw/zinc/65/17/36/1132651736.db2.gz XWDHKIILZBYDAB-UHFFFAOYSA-N 1 2 327.877 3.850 20 0 EHADLO CCOC(=O)C[N@@H+](CCSc1cccc(Cl)c1)C1CCC1 ZINC001169073381 1132651740 /nfs/dbraw/zinc/65/17/40/1132651740.db2.gz XWDHKIILZBYDAB-UHFFFAOYSA-N 1 2 327.877 3.850 20 0 EHADLO Cc1nc(Nc2ccc3ncccc3c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175373484 1132652862 /nfs/dbraw/zinc/65/28/62/1132652862.db2.gz ZJEFCIHMOBPINX-KBPBESRZSA-N 1 2 349.438 3.690 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C)ns1 ZINC001169174560 1132693170 /nfs/dbraw/zinc/69/31/70/1132693170.db2.gz ADUINARVIRLYQK-AWEZNQCLSA-N 1 2 339.505 3.673 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C)ns1 ZINC001169174560 1132693173 /nfs/dbraw/zinc/69/31/73/1132693173.db2.gz ADUINARVIRLYQK-AWEZNQCLSA-N 1 2 339.505 3.673 20 0 EHADLO COc1cc(C[NH+]2CCOCC2)ccc1N[C@H]1CCCC(F)(F)C1 ZINC001169220686 1132699693 /nfs/dbraw/zinc/69/96/93/1132699693.db2.gz XPNUEXCOERBVKW-HNNXBMFYSA-N 1 2 340.414 3.517 20 0 EHADLO COc1cc(CCNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)ccn1 ZINC001169223423 1132700284 /nfs/dbraw/zinc/70/02/84/1132700284.db2.gz ODLFPHVLLBLBJA-UHFFFAOYSA-N 1 2 337.345 3.734 20 0 EHADLO Cc1cnn(CC2CCC2)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713051 1132740598 /nfs/dbraw/zinc/74/05/98/1132740598.db2.gz ZCPWIYHWBCHHJA-UHFFFAOYSA-N 1 2 325.338 3.731 20 0 EHADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc2sc3ccccc3c2c1 ZINC001175752256 1132744752 /nfs/dbraw/zinc/74/47/52/1132744752.db2.gz SYOWNNZJDQUEGP-UHFFFAOYSA-N 1 2 337.404 3.999 20 0 EHADLO COc1ccc2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)cnc2c1 ZINC001175705584 1132753850 /nfs/dbraw/zinc/75/38/50/1132753850.db2.gz AWGCESIQBATLRS-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000766712002 1132760826 /nfs/dbraw/zinc/76/08/26/1132760826.db2.gz UAPGJSLTNVFWET-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO Cc1cc2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)cn2c1 ZINC001175885600 1132781979 /nfs/dbraw/zinc/78/19/79/1132781979.db2.gz VICCGUFYDYWGNG-HXUWFJFHSA-N 1 2 344.418 3.616 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@@H]1Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169624716 1132799849 /nfs/dbraw/zinc/79/98/49/1132799849.db2.gz BAFDOPYMKZZGGS-PZJWPPBQSA-N 1 2 347.418 3.516 20 0 EHADLO c1c[nH+]c(N2CCCCC2)c(Nc2cccc(N3CCOCC3)c2)c1 ZINC001176014750 1132819995 /nfs/dbraw/zinc/81/99/95/1132819995.db2.gz SDYQMLCWAXGVBZ-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO COc1cc(Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc(C)[nH+]1 ZINC001176138116 1132843072 /nfs/dbraw/zinc/84/30/72/1132843072.db2.gz QRHGTPRXAVWMKF-UHFFFAOYSA-N 1 2 344.415 3.909 20 0 EHADLO Cc1nc(Nc2cccc(Cl)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176221549 1132878177 /nfs/dbraw/zinc/87/81/77/1132878177.db2.gz DPIVLQHUXJPZRD-TXEJJXNPSA-N 1 2 332.835 3.796 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC001176221549 1132878185 /nfs/dbraw/zinc/87/81/85/1132878185.db2.gz DPIVLQHUXJPZRD-TXEJJXNPSA-N 1 2 332.835 3.796 20 0 EHADLO Fc1ccc(NCc2cccnc2N2CCCC2)cc1-n1cc[nH+]c1 ZINC001169861596 1132883899 /nfs/dbraw/zinc/88/38/99/1132883899.db2.gz YWDZFBGWTDLZKC-UHFFFAOYSA-N 1 2 337.402 3.619 20 0 EHADLO Cc1nc(Cl)ccc1CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000766961623 1132918573 /nfs/dbraw/zinc/91/85/73/1132918573.db2.gz QZTYDCUCGBPWQP-UHFFFAOYSA-N 1 2 341.798 3.515 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)n(C(=O)OC(C)(C)C)n1 ZINC001176743436 1132991075 /nfs/dbraw/zinc/99/10/75/1132991075.db2.gz KNYVFXPGLHVBEP-UHFFFAOYSA-N 1 2 343.431 3.714 20 0 EHADLO Fc1cnc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749846 1132992084 /nfs/dbraw/zinc/99/20/84/1132992084.db2.gz LZYFSKOLYDDERU-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830712 1133002950 /nfs/dbraw/zinc/00/29/50/1133002950.db2.gz BXGQQUUOXNGSRP-KKSFZXQISA-N 1 2 349.434 3.619 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1c(Cl)ccc(Cl)c1Cl ZINC001176882987 1133007183 /nfs/dbraw/zinc/00/71/83/1133007183.db2.gz AKFDHUSLRNXFOV-UHFFFAOYSA-N 1 2 332.618 3.550 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ncccc2C)sc1Br ZINC001176897185 1133013544 /nfs/dbraw/zinc/01/35/44/1133013544.db2.gz KKUCVQHHEWXNKG-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC001176974093 1133017107 /nfs/dbraw/zinc/01/71/07/1133017107.db2.gz SEEXSZWVBDZMEP-MSOLQXFVSA-N 1 2 337.467 3.792 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)c(N(C)C)[nH+]1 ZINC000767861591 1133060777 /nfs/dbraw/zinc/06/07/77/1133060777.db2.gz VJTMOTIKRIPMOY-CYBMUJFWSA-N 1 2 330.457 3.717 20 0 EHADLO Cc1cc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)c(C)c[nH+]1 ZINC000767948614 1133074034 /nfs/dbraw/zinc/07/40/34/1133074034.db2.gz STUVVRIJCRMIRM-UHFFFAOYSA-N 1 2 347.418 3.971 20 0 EHADLO Cc1cc(-c2ncccc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cs1 ZINC001177526676 1133075856 /nfs/dbraw/zinc/07/58/56/1133075856.db2.gz MSYNJYIOOGSIMQ-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO CCC[N@@H+](Cc1coc(C2CC2)n1)C[C@@H]1COc2ccccc2O1 ZINC000768180454 1133108606 /nfs/dbraw/zinc/10/86/06/1133108606.db2.gz PLOWNJXTOCCFBZ-MRXNPFEDSA-N 1 2 328.412 3.604 20 0 EHADLO CCC[N@H+](Cc1coc(C2CC2)n1)C[C@@H]1COc2ccccc2O1 ZINC000768180454 1133108610 /nfs/dbraw/zinc/10/86/10/1133108610.db2.gz PLOWNJXTOCCFBZ-MRXNPFEDSA-N 1 2 328.412 3.604 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1nccc2ccccc21 ZINC000768237467 1133116525 /nfs/dbraw/zinc/11/65/25/1133116525.db2.gz SLYGJSKPBZFKRS-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1nccc2ccccc21 ZINC000768237467 1133116529 /nfs/dbraw/zinc/11/65/29/1133116529.db2.gz SLYGJSKPBZFKRS-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(Cc1ccc(-c2ccccn2)cc1)Nc1cccc2[nH+]ccn21 ZINC001177944559 1133119978 /nfs/dbraw/zinc/11/99/78/1133119978.db2.gz URHGFAHDTMWTMU-UHFFFAOYSA-N 1 2 328.375 3.578 20 0 EHADLO CN(C)c1ccc(NCc2c(F)cccc2OC(F)(F)F)[nH+]c1 ZINC001178059681 1133128515 /nfs/dbraw/zinc/12/85/15/1133128515.db2.gz FOQJDCSOQQILNN-UHFFFAOYSA-N 1 2 329.297 3.797 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000768530126 1133150439 /nfs/dbraw/zinc/15/04/39/1133150439.db2.gz YIELCJDOROXDPB-LBPRGKRZSA-N 1 2 344.249 3.596 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000768530126 1133150441 /nfs/dbraw/zinc/15/04/41/1133150441.db2.gz YIELCJDOROXDPB-LBPRGKRZSA-N 1 2 344.249 3.596 20 0 EHADLO O=C(Nc1cccc(-c2ccon2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178761498 1133197080 /nfs/dbraw/zinc/19/70/80/1133197080.db2.gz YTYAKPRYVVQGID-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC[C@H]1CC(=O)N(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000768905841 1133201102 /nfs/dbraw/zinc/20/11/02/1133201102.db2.gz DITSOCNMJDIDHU-AWEZNQCLSA-N 1 2 334.410 3.660 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768912861 1133201586 /nfs/dbraw/zinc/20/15/86/1133201586.db2.gz ZUKVHQQKDMVTTP-JJRVBVJISA-N 1 2 334.410 3.503 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768912861 1133201590 /nfs/dbraw/zinc/20/15/90/1133201590.db2.gz ZUKVHQQKDMVTTP-JJRVBVJISA-N 1 2 334.410 3.503 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2Cl)c2ccccc2)cc1 ZINC001179128760 1133230061 /nfs/dbraw/zinc/23/00/61/1133230061.db2.gz GIFAMFVSZQEBFF-GOSISDBHSA-N 1 2 341.842 3.961 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+]Cc2nn(C)c3ccccc23)on1 ZINC001179252318 1133239045 /nfs/dbraw/zinc/23/90/45/1133239045.db2.gz GVDDFEKTBOWDMH-UHFFFAOYSA-N 1 2 348.406 3.527 20 0 EHADLO Cn1ncc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1C1CC1 ZINC001179484894 1133253931 /nfs/dbraw/zinc/25/39/31/1133253931.db2.gz STQDVRFQAJIKBG-UHFFFAOYSA-N 1 2 346.232 3.548 20 0 EHADLO Cn1ncc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1C1CC1 ZINC001179484894 1133253936 /nfs/dbraw/zinc/25/39/36/1133253936.db2.gz STQDVRFQAJIKBG-UHFFFAOYSA-N 1 2 346.232 3.548 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769333074 1133263777 /nfs/dbraw/zinc/26/37/77/1133263777.db2.gz NIBOFUAYVSDWRA-IBGZPJMESA-N 1 2 329.827 3.944 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769333074 1133263781 /nfs/dbraw/zinc/26/37/81/1133263781.db2.gz NIBOFUAYVSDWRA-IBGZPJMESA-N 1 2 329.827 3.944 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H](F)c1ccccc1 ZINC000769377322 1133273258 /nfs/dbraw/zinc/27/32/58/1133273258.db2.gz PSUWDXJQOGKRDI-IBGZPJMESA-N 1 2 341.430 3.789 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C(C)C)n1 ZINC001179838130 1133288532 /nfs/dbraw/zinc/28/85/32/1133288532.db2.gz LQNGUNXGRZLVAC-KRWDZBQOSA-N 1 2 329.444 3.969 20 0 EHADLO CCC(=O)c1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000769719874 1133335214 /nfs/dbraw/zinc/33/52/14/1133335214.db2.gz HTERKOUDNONERB-UHFFFAOYSA-N 1 2 338.338 3.823 20 0 EHADLO Cn1c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc2ccccc21 ZINC001180185018 1133336903 /nfs/dbraw/zinc/33/69/03/1133336903.db2.gz VNLWRVJDDOXJTB-UHFFFAOYSA-N 1 2 343.377 3.527 20 0 EHADLO Cn1c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc2ccccc21 ZINC001180185018 1133336910 /nfs/dbraw/zinc/33/69/10/1133336910.db2.gz VNLWRVJDDOXJTB-UHFFFAOYSA-N 1 2 343.377 3.527 20 0 EHADLO CC[N@H+](Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccccc1C ZINC001204262193 1133345144 /nfs/dbraw/zinc/34/51/44/1133345144.db2.gz YDKDYAWMWAZVNH-UHFFFAOYSA-N 1 2 343.471 3.706 20 0 EHADLO CC[N@@H+](Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccccc1C ZINC001204262193 1133345149 /nfs/dbraw/zinc/34/51/49/1133345149.db2.gz YDKDYAWMWAZVNH-UHFFFAOYSA-N 1 2 343.471 3.706 20 0 EHADLO Fc1ccc(CC[NH+]2CCN(Cc3ccsc3)CC2)c(Cl)c1 ZINC001180359336 1133360223 /nfs/dbraw/zinc/36/02/23/1133360223.db2.gz HXKBPBAQKAMIPI-UHFFFAOYSA-N 1 2 338.879 3.901 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2cnc(CCc3ccccc3)s2)CCO1 ZINC001180326605 1133361841 /nfs/dbraw/zinc/36/18/41/1133361841.db2.gz MQYDKCGROMPXHX-GOSISDBHSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2cnc(CCc3ccccc3)s2)CCO1 ZINC001180326605 1133361843 /nfs/dbraw/zinc/36/18/43/1133361843.db2.gz MQYDKCGROMPXHX-GOSISDBHSA-N 1 2 330.497 3.785 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412976 1133372654 /nfs/dbraw/zinc/37/26/54/1133372654.db2.gz NWPQFHAKNRCQMZ-AWEZNQCLSA-N 1 2 347.361 3.779 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(F)c1F ZINC001180412976 1133372656 /nfs/dbraw/zinc/37/26/56/1133372656.db2.gz NWPQFHAKNRCQMZ-AWEZNQCLSA-N 1 2 347.361 3.779 20 0 EHADLO CC(C)c1noc(-c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)n1 ZINC000770076922 1133384845 /nfs/dbraw/zinc/38/48/45/1133384845.db2.gz BZLJOZSWZAIZIM-UHFFFAOYSA-N 1 2 347.378 3.760 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000770302413 1133408483 /nfs/dbraw/zinc/40/84/83/1133408483.db2.gz DUDVQNPXPHACAY-UHFFFAOYSA-N 1 2 330.181 3.891 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000770302413 1133408481 /nfs/dbraw/zinc/40/84/81/1133408481.db2.gz DUDVQNPXPHACAY-UHFFFAOYSA-N 1 2 330.181 3.891 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000770356804 1133420079 /nfs/dbraw/zinc/42/00/79/1133420079.db2.gz ZKFZDUCATOBBJI-FQEVSTJZSA-N 1 2 341.451 3.752 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000770356804 1133420085 /nfs/dbraw/zinc/42/00/85/1133420085.db2.gz ZKFZDUCATOBBJI-FQEVSTJZSA-N 1 2 341.451 3.752 20 0 EHADLO O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc2[nH+]ccn21 ZINC000770435399 1133429435 /nfs/dbraw/zinc/42/94/35/1133429435.db2.gz RJVROZIGSVYFDT-UHFFFAOYSA-N 1 2 325.343 3.657 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)C(=O)OC ZINC001180962274 1133436745 /nfs/dbraw/zinc/43/67/45/1133436745.db2.gz KVXGSNUIVOJVKC-BZSNNMDCSA-N 1 2 333.472 3.944 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1(C)C ZINC000770525289 1133442221 /nfs/dbraw/zinc/44/22/21/1133442221.db2.gz WMTFDJBDDQIFHV-VVWQDTPRSA-N 1 2 332.488 3.916 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC001181242686 1133467992 /nfs/dbraw/zinc/46/79/92/1133467992.db2.gz CCLWJHSKZCCOHJ-WCQYABFASA-N 1 2 334.416 3.619 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC001181242686 1133467994 /nfs/dbraw/zinc/46/79/94/1133467994.db2.gz CCLWJHSKZCCOHJ-WCQYABFASA-N 1 2 334.416 3.619 20 0 EHADLO CN(Cc1ccccc1Oc1ccccc1)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181254084 1133468143 /nfs/dbraw/zinc/46/81/43/1133468143.db2.gz GCQPSNGAYGUPHX-UHFFFAOYSA-N 1 2 347.418 3.657 20 0 EHADLO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921388 1133483633 /nfs/dbraw/zinc/48/36/33/1133483633.db2.gz CTPXLQPMGUYOEV-LLVKDONJSA-N 1 2 348.761 3.638 20 0 EHADLO O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1cccc2[nH+]ccn21 ZINC000770925761 1133485405 /nfs/dbraw/zinc/48/54/05/1133485405.db2.gz OMDHSBLUFANGID-UHFFFAOYSA-N 1 2 339.782 3.755 20 0 EHADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000771144884 1133517785 /nfs/dbraw/zinc/51/77/85/1133517785.db2.gz FGTZPHUWSBUGHH-CZUORRHYSA-N 1 2 334.391 3.612 20 0 EHADLO Cc1cc(F)ccc1Cc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000771351741 1133544640 /nfs/dbraw/zinc/54/46/40/1133544640.db2.gz CRNCDOASJITMRD-UHFFFAOYSA-N 1 2 334.354 3.961 20 0 EHADLO C[C@H](O)[C@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)C(=O)OCc1ccccc1 ZINC001181957615 1133555771 /nfs/dbraw/zinc/55/57/71/1133555771.db2.gz KRVFENHZOYOOHG-YJBOKZPZSA-N 1 2 347.499 3.674 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2ccc(Br)cc2C)C(C)C)n1 ZINC000151979156 1133559338 /nfs/dbraw/zinc/55/93/38/1133559338.db2.gz WTXSLPVMPDGBSJ-CQSZACIVSA-N 1 2 338.249 3.936 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000774006642 1133583812 /nfs/dbraw/zinc/58/38/12/1133583812.db2.gz WPOLXNNYSNNCPW-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000774006642 1133583816 /nfs/dbraw/zinc/58/38/16/1133583816.db2.gz WPOLXNNYSNNCPW-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(Br)cnc2F)o1 ZINC001182175390 1133586760 /nfs/dbraw/zinc/58/67/60/1133586760.db2.gz XIDZRQCVPRKNOY-UHFFFAOYSA-N 1 2 342.212 3.522 20 0 EHADLO Cc1cc(C[NH+]2CC(OCCCc3ccccc3)C2)cc(C)c1O ZINC001182216469 1133597366 /nfs/dbraw/zinc/59/73/66/1133597366.db2.gz QLHMARLKLYJXHM-UHFFFAOYSA-N 1 2 325.452 3.843 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1ccccc1F ZINC001182287603 1133616772 /nfs/dbraw/zinc/61/67/72/1133616772.db2.gz RKVSIIXUMRQXBK-ROUUACIJSA-N 1 2 335.382 3.813 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000771974179 1133623414 /nfs/dbraw/zinc/62/34/14/1133623414.db2.gz XXIORMGNEJDRGN-UHFFFAOYSA-N 1 2 344.317 3.811 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000771991734 1133624841 /nfs/dbraw/zinc/62/48/41/1133624841.db2.gz CATZKFIYJXVTRJ-YPXDRJKUSA-N 1 2 342.361 3.575 20 0 EHADLO C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)[C@@H]1C(=O)OC(C)(C)C ZINC001182489431 1133694622 /nfs/dbraw/zinc/69/46/22/1133694622.db2.gz LTUVEXUZRXYHIG-DYVFJYSZSA-N 1 2 339.426 3.950 20 0 EHADLO C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2F)[C@@H]1C(=O)OC(C)(C)C ZINC001182489431 1133694625 /nfs/dbraw/zinc/69/46/25/1133694625.db2.gz LTUVEXUZRXYHIG-DYVFJYSZSA-N 1 2 339.426 3.950 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)c1Br ZINC001182558138 1133695939 /nfs/dbraw/zinc/69/59/39/1133695939.db2.gz QSAPZZWGYCQTHG-AWEZNQCLSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)c1Br ZINC001182558138 1133695943 /nfs/dbraw/zinc/69/59/43/1133695943.db2.gz QSAPZZWGYCQTHG-AWEZNQCLSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(F)c(F)cc1F ZINC000785600050 1133725559 /nfs/dbraw/zinc/72/55/59/1133725559.db2.gz AZZCIWHWPDGYSC-UHFFFAOYSA-N 1 2 346.308 3.955 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(C)c1 ZINC001183000253 1133756360 /nfs/dbraw/zinc/75/63/60/1133756360.db2.gz LYLVKJRHMXKKEZ-XJKSGUPXSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(C)c1 ZINC001183000253 1133756363 /nfs/dbraw/zinc/75/63/63/1133756363.db2.gz LYLVKJRHMXKKEZ-XJKSGUPXSA-N 1 2 331.378 3.935 20 0 EHADLO C[C@H](NC(=O)c1nccc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183031918 1133759101 /nfs/dbraw/zinc/75/91/01/1133759101.db2.gz XDDPWBMBPZOAPR-ZDUSSCGKSA-N 1 2 332.363 3.505 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1OC ZINC001183757536 1133848476 /nfs/dbraw/zinc/84/84/76/1133848476.db2.gz MYVIKJYOCYRLPB-OALUTQOASA-N 1 2 338.451 3.537 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1OC ZINC001183757536 1133848483 /nfs/dbraw/zinc/84/84/83/1133848483.db2.gz MYVIKJYOCYRLPB-OALUTQOASA-N 1 2 338.451 3.537 20 0 EHADLO Cc1ccc(NC(=O)C2(Cc3ccccc3F)CC2)c(N(C)C)[nH+]1 ZINC000786641476 1133885194 /nfs/dbraw/zinc/88/51/94/1133885194.db2.gz JQAVJRNJJXZJRS-UHFFFAOYSA-N 1 2 327.403 3.557 20 0 EHADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Cl)cc1)c1nccc2ccccc21 ZINC001184328877 1133928442 /nfs/dbraw/zinc/92/84/42/1133928442.db2.gz UEGFEJANAWGWNG-SGTLLEGYSA-N 1 2 339.826 3.765 20 0 EHADLO Cc1cccc(C(C)(C)C)c1NC(=O)NCc1c[nH+]cn1CCF ZINC001184641599 1133970593 /nfs/dbraw/zinc/97/05/93/1133970593.db2.gz WZAYRHYYKOKRNA-UHFFFAOYSA-N 1 2 332.423 3.780 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787188736 1133971271 /nfs/dbraw/zinc/97/12/71/1133971271.db2.gz IJQJYDCOBKLPMI-INIZCTEOSA-N 1 2 337.467 3.722 20 0 EHADLO CCc1c[nH]c2nc[nH+]c(Nc3ccc(OC[C@H]4CCCO4)cc3)c12 ZINC001184892249 1133998568 /nfs/dbraw/zinc/99/85/68/1133998568.db2.gz CCJAWJYRHIDIMZ-MRXNPFEDSA-N 1 2 338.411 3.822 20 0 EHADLO Nc1cc(COC(=O)c2ccc(C3SCCCS3)cc2)cc[nH+]1 ZINC000787592796 1134017484 /nfs/dbraw/zinc/01/74/84/1134017484.db2.gz SYRHLZNSDXQJAO-UHFFFAOYSA-N 1 2 346.477 3.890 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245328 1134100507 /nfs/dbraw/zinc/10/05/07/1134100507.db2.gz FIAHGFHTBNCZRS-HOCLYGCPSA-N 1 2 347.503 3.636 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245328 1134100508 /nfs/dbraw/zinc/10/05/08/1134100508.db2.gz FIAHGFHTBNCZRS-HOCLYGCPSA-N 1 2 347.503 3.636 20 0 EHADLO Cc1cc(N[C@H]2CCN(c3ncccc3Cl)C2)nc(C2CCC2)[nH+]1 ZINC001185736105 1134126674 /nfs/dbraw/zinc/12/66/74/1134126674.db2.gz OTYXKPTVRIXSJV-AWEZNQCLSA-N 1 2 343.862 3.792 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(OC(F)F)cc1 ZINC000774933173 1134137555 /nfs/dbraw/zinc/13/75/55/1134137555.db2.gz HJGOBYNZWXWTHX-SNVBAGLBSA-N 1 2 325.359 3.819 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788834116 1134178889 /nfs/dbraw/zinc/17/88/89/1134178889.db2.gz KJNAXPCKUMJZRB-ABDJAZHISA-N 1 2 342.826 3.818 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(C(F)(F)F)c(F)c1F ZINC001186461106 1134224222 /nfs/dbraw/zinc/22/42/22/1134224222.db2.gz ZBXXWAYIZYPJMP-UHFFFAOYSA-N 1 2 342.267 3.542 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)o1 ZINC000789306700 1134251488 /nfs/dbraw/zinc/25/14/88/1134251488.db2.gz RIAWOHJKYZIUBA-SFHVURJKSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)o1 ZINC000789306700 1134251493 /nfs/dbraw/zinc/25/14/93/1134251493.db2.gz RIAWOHJKYZIUBA-SFHVURJKSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1nc(N[C@@H](CO)CC2CCCCC2)c(Br)c(C)[nH+]1 ZINC001186764984 1134255181 /nfs/dbraw/zinc/25/51/81/1134255181.db2.gz YMCCWALVUBBOBR-CYBMUJFWSA-N 1 2 342.281 3.599 20 0 EHADLO Cc1nc(N2CCC(Cc3nccs3)CC2)c2c([nH+]1)CCCC2 ZINC001187248760 1134321475 /nfs/dbraw/zinc/32/14/75/1134321475.db2.gz UEQKIIHZKMBXHA-UHFFFAOYSA-N 1 2 328.485 3.579 20 0 EHADLO Cc1[nH+]cc(NC(=O)Nc2ccc(Br)cc2Cl)n1C ZINC001187313792 1134325263 /nfs/dbraw/zinc/32/52/63/1134325263.db2.gz XFSJBJCJEIQSAE-UHFFFAOYSA-N 1 2 343.612 3.788 20 0 EHADLO Cc1cc(N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001187437626 1134335247 /nfs/dbraw/zinc/33/52/47/1134335247.db2.gz JNERYKBXOVQLRJ-HNNXBMFYSA-N 1 2 346.475 3.864 20 0 EHADLO Cc1nc(NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c2c([nH+]1)CCCC2 ZINC001187560020 1134345423 /nfs/dbraw/zinc/34/54/23/1134345423.db2.gz WTOCYGPKTLITSX-FZMZJTMJSA-N 1 2 329.366 3.576 20 0 EHADLO CC(C)c1ccc2cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000790152622 1134378972 /nfs/dbraw/zinc/37/89/72/1134378972.db2.gz DBDKEPGXPGUBPI-GOSISDBHSA-N 1 2 349.434 3.980 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@@H]2c2ccccc2)c1 ZINC000790452102 1134420156 /nfs/dbraw/zinc/42/01/56/1134420156.db2.gz SOHWLKOFGITJAA-SFHVURJKSA-N 1 2 325.456 3.507 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@@H]2c2ccccc2)c1 ZINC000790452102 1134420161 /nfs/dbraw/zinc/42/01/61/1134420161.db2.gz SOHWLKOFGITJAA-SFHVURJKSA-N 1 2 325.456 3.507 20 0 EHADLO COCC[N@H+](Cn1nc(C2CC2)sc1=S)[C@H]1CC[C@H](C)C1 ZINC000790477720 1134422746 /nfs/dbraw/zinc/42/27/46/1134422746.db2.gz HPKSTAKYXKCXKJ-AAEUAGOBSA-N 1 2 327.519 3.646 20 0 EHADLO COCC[N@@H+](Cn1nc(C2CC2)sc1=S)[C@H]1CC[C@H](C)C1 ZINC000790477720 1134422747 /nfs/dbraw/zinc/42/27/47/1134422747.db2.gz HPKSTAKYXKCXKJ-AAEUAGOBSA-N 1 2 327.519 3.646 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001188186795 1134438406 /nfs/dbraw/zinc/43/84/06/1134438406.db2.gz IKRJSFCGXPUOQI-UHFFFAOYSA-N 1 2 327.428 3.676 20 0 EHADLO O[C@@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000790592865 1134440210 /nfs/dbraw/zinc/44/02/10/1134440210.db2.gz XKRAPCMJTGDUJW-FQEVSTJZSA-N 1 2 334.419 3.999 20 0 EHADLO Clc1ncccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000775170315 1134474199 /nfs/dbraw/zinc/47/41/99/1134474199.db2.gz BKMHDDONBKPQLZ-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO Clc1ncccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000775170315 1134474201 /nfs/dbraw/zinc/47/42/01/1134474201.db2.gz BKMHDDONBKPQLZ-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001188989341 1134529108 /nfs/dbraw/zinc/52/91/08/1134529108.db2.gz HHJXTTQIAONMTI-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1scnc1Cl ZINC000791335166 1134532952 /nfs/dbraw/zinc/53/29/52/1134532952.db2.gz GGRJPDMIWXSEQF-UHFFFAOYSA-N 1 2 333.800 3.648 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000791382013 1134538232 /nfs/dbraw/zinc/53/82/32/1134538232.db2.gz JWXXDKKEGUBUMR-DNVCBOLYSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000791403036 1134545451 /nfs/dbraw/zinc/54/54/51/1134545451.db2.gz FHGLXPIDXVPQBF-QAPCUYQASA-N 1 2 328.412 3.572 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446860 1134552698 /nfs/dbraw/zinc/55/26/98/1134552698.db2.gz DFAXBUXHHZJMEW-KRWDZBQOSA-N 1 2 331.481 3.603 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000791446860 1134552703 /nfs/dbraw/zinc/55/27/03/1134552703.db2.gz DFAXBUXHHZJMEW-KRWDZBQOSA-N 1 2 331.481 3.603 20 0 EHADLO CCC[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(F)cc1 ZINC000791452368 1134554371 /nfs/dbraw/zinc/55/43/71/1134554371.db2.gz JBCJMRVHFZSAIX-UHFFFAOYSA-N 1 2 349.471 3.653 20 0 EHADLO CCC[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(F)cc1 ZINC000791452368 1134554377 /nfs/dbraw/zinc/55/43/77/1134554377.db2.gz JBCJMRVHFZSAIX-UHFFFAOYSA-N 1 2 349.471 3.653 20 0 EHADLO CCC[C@@H]1C[C@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791451449 1134554533 /nfs/dbraw/zinc/55/45/33/1134554533.db2.gz UJKGRHDGYKRPAP-VQIMIIECSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c(C)s1 ZINC000791427387 1134556462 /nfs/dbraw/zinc/55/64/62/1134556462.db2.gz TVAQAYSNZOQGIU-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO Nc1cc(COC(=O)Cc2coc3ccc4ccccc4c23)cc[nH+]1 ZINC000791519127 1134564779 /nfs/dbraw/zinc/56/47/79/1134564779.db2.gz FOPAMTTXWPQXFF-UHFFFAOYSA-N 1 2 332.359 3.849 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)c1 ZINC000791554609 1134573126 /nfs/dbraw/zinc/57/31/26/1134573126.db2.gz SVWVGQNWOYAPHK-ZQIUZPCESA-N 1 2 327.428 3.605 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)c1 ZINC000791554609 1134573132 /nfs/dbraw/zinc/57/31/32/1134573132.db2.gz SVWVGQNWOYAPHK-ZQIUZPCESA-N 1 2 327.428 3.605 20 0 EHADLO Nc1cc(COC(=O)c2cnc3ccccc3c2C(F)(F)F)cc[nH+]1 ZINC000791604929 1134582057 /nfs/dbraw/zinc/58/20/57/1134582057.db2.gz OISWNGWBQWUFGC-UHFFFAOYSA-N 1 2 347.296 3.588 20 0 EHADLO C/C(=C\C(=O)OCc1cc[nH+]c(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000791796621 1134606002 /nfs/dbraw/zinc/60/60/02/1134606002.db2.gz WYGCLSXMKYSKCM-DHZHZOJOSA-N 1 2 336.313 3.829 20 0 EHADLO C[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)n1cc[nH+]c1 ZINC000076924985 1134611328 /nfs/dbraw/zinc/61/13/28/1134611328.db2.gz WRHYJXRLYDKAPK-ZDUSSCGKSA-N 1 2 331.466 3.796 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000775291050 1134614346 /nfs/dbraw/zinc/61/43/46/1134614346.db2.gz NAXYMZIHJFYPOU-KRWDZBQOSA-N 1 2 329.350 3.730 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1ccccc1-c1ccccc1 ZINC001189731333 1134622330 /nfs/dbraw/zinc/62/23/30/1134622330.db2.gz AGQJZYDNWTZHSE-KRWDZBQOSA-N 1 2 341.430 3.909 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1ccccc1-c1ccccc1 ZINC001189731333 1134622332 /nfs/dbraw/zinc/62/23/32/1134622332.db2.gz AGQJZYDNWTZHSE-KRWDZBQOSA-N 1 2 341.430 3.909 20 0 EHADLO Cc1cc(C)cc(OC[C@H](C)NC(=O)c2ccccc2-n2cc[nH+]c2)c1 ZINC001190098912 1134655123 /nfs/dbraw/zinc/65/51/23/1134655123.db2.gz BFRGNHSWKQROOC-KRWDZBQOSA-N 1 2 349.434 3.686 20 0 EHADLO Cc1ccc2c(cccc2NC(=O)c2ccccc2-n2cc[nH+]c2)n1 ZINC001190099653 1134655844 /nfs/dbraw/zinc/65/58/44/1134655844.db2.gz KZRUTFSSOCTQIT-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1cc(Cl)c(NC(=O)c2ccccc2-n2cc[nH+]c2)cc1O ZINC001190100165 1134655855 /nfs/dbraw/zinc/65/58/55/1134655855.db2.gz PWSLHUJILULTRR-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO O=C(Nc1ccc2ncnc(Cl)c2c1)c1ccccc1-n1cc[nH+]c1 ZINC001190100976 1134656042 /nfs/dbraw/zinc/65/60/42/1134656042.db2.gz ZGUAHEBLZDSOGZ-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO CC[N@H+](CC(=O)NCC(C)(C)C(C)(F)F)Cc1ccccc1Cl ZINC001151865493 1134689325 /nfs/dbraw/zinc/68/93/25/1134689325.db2.gz CTMWHHLDZZHWIY-UHFFFAOYSA-N 1 2 346.849 3.960 20 0 EHADLO CC[N@@H+](CC(=O)NCC(C)(C)C(C)(F)F)Cc1ccccc1Cl ZINC001151865493 1134689327 /nfs/dbraw/zinc/68/93/27/1134689327.db2.gz CTMWHHLDZZHWIY-UHFFFAOYSA-N 1 2 346.849 3.960 20 0 EHADLO CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001190392462 1134690293 /nfs/dbraw/zinc/69/02/93/1134690293.db2.gz PILIGLNEIIWVHR-MRXNPFEDSA-N 1 2 346.862 3.722 20 0 EHADLO CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001190392462 1134690295 /nfs/dbraw/zinc/69/02/95/1134690295.db2.gz PILIGLNEIIWVHR-MRXNPFEDSA-N 1 2 346.862 3.722 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001190433109 1134699840 /nfs/dbraw/zinc/69/98/40/1134699840.db2.gz WLIWMMFSXYBMMQ-UHFFFAOYSA-N 1 2 336.395 3.577 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1COC2(CCCCC2)O1 ZINC001190730423 1134743555 /nfs/dbraw/zinc/74/35/55/1134743555.db2.gz HGOXMOKOKZPRFG-CQSZACIVSA-N 1 2 325.399 3.863 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1COC2(CCCCC2)O1 ZINC001190730423 1134743563 /nfs/dbraw/zinc/74/35/63/1134743563.db2.gz HGOXMOKOKZPRFG-CQSZACIVSA-N 1 2 325.399 3.863 20 0 EHADLO COCC[N@H+](CCCOc1ccc(F)cc1)C/C(Cl)=C/Cl ZINC001190895412 1134763997 /nfs/dbraw/zinc/76/39/97/1134763997.db2.gz RZCMQQCMXJZXNX-QBFSEMIESA-N 1 2 336.234 3.862 20 0 EHADLO COCC[N@@H+](CCCOc1ccc(F)cc1)C/C(Cl)=C/Cl ZINC001190895412 1134764002 /nfs/dbraw/zinc/76/40/02/1134764002.db2.gz RZCMQQCMXJZXNX-QBFSEMIESA-N 1 2 336.234 3.862 20 0 EHADLO Cc1cc(NCC(=O)NCc2ccco2)[nH+]c2c1cccc2C(C)C ZINC001170380619 1134766791 /nfs/dbraw/zinc/76/67/91/1134766791.db2.gz VYXYRNKOSZZMEU-UHFFFAOYSA-N 1 2 337.423 3.988 20 0 EHADLO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000792776425 1134791967 /nfs/dbraw/zinc/79/19/67/1134791967.db2.gz FBQWHZSUQVBSPT-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000792776425 1134791972 /nfs/dbraw/zinc/79/19/72/1134791972.db2.gz FBQWHZSUQVBSPT-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCOC[C@H]3C)c2=S)c(C)c1 ZINC000772821670 1134793229 /nfs/dbraw/zinc/79/32/29/1134793229.db2.gz MQYTYBLBZDHDGU-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCOC[C@H]3C)c2=S)c(C)c1 ZINC000772821670 1134793234 /nfs/dbraw/zinc/79/32/34/1134793234.db2.gz MQYTYBLBZDHDGU-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(Oc2ccccc2)n1 ZINC001191130528 1134808322 /nfs/dbraw/zinc/80/83/22/1134808322.db2.gz NHMFYAOGVBWOBF-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)CC1CCCCC1 ZINC001191176690 1134820025 /nfs/dbraw/zinc/82/00/25/1134820025.db2.gz YXZSXJKPLBHNAW-OAHLLOKOSA-N 1 2 332.463 3.784 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)CC1CCCCC1 ZINC001191176690 1134820032 /nfs/dbraw/zinc/82/00/32/1134820032.db2.gz YXZSXJKPLBHNAW-OAHLLOKOSA-N 1 2 332.463 3.784 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC1CCCCCC1 ZINC001191266706 1134838035 /nfs/dbraw/zinc/83/80/35/1134838035.db2.gz OLDGEEYJDXSABB-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H](F)CC1CCCCC1 ZINC000793237453 1134881823 /nfs/dbraw/zinc/88/18/23/1134881823.db2.gz LVCKGHOHVRJLSO-GOSISDBHSA-N 1 2 329.419 3.797 20 0 EHADLO C[C@H](CC(=O)OCCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000793236726 1134882102 /nfs/dbraw/zinc/88/21/02/1134882102.db2.gz DDWOXTSFVRAEEQ-GFCCVEGCSA-N 1 2 340.345 3.718 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](C(C)C)C1 ZINC001191541498 1134882273 /nfs/dbraw/zinc/88/22/73/1134882273.db2.gz TXOWGEFHYJPFNF-WFASDCNBSA-N 1 2 340.261 3.641 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C(C)C)C1 ZINC001191541498 1134882276 /nfs/dbraw/zinc/88/22/76/1134882276.db2.gz TXOWGEFHYJPFNF-WFASDCNBSA-N 1 2 340.261 3.641 20 0 EHADLO C/C(=C/C(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793239411 1134885729 /nfs/dbraw/zinc/88/57/29/1134885729.db2.gz BAUIAFSSOABBHM-WQLSENKSSA-N 1 2 338.329 3.628 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000793239802 1134885882 /nfs/dbraw/zinc/88/58/82/1134885882.db2.gz UYMBWMPRHVLHPK-UHFFFAOYSA-N 1 2 348.446 3.607 20 0 EHADLO C[C@@H](CC(=O)OCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000793250922 1134888716 /nfs/dbraw/zinc/88/87/16/1134888716.db2.gz RFNOPZUBTFGCGZ-LBPRGKRZSA-N 1 2 340.345 3.718 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000793251678 1134889056 /nfs/dbraw/zinc/88/90/56/1134889056.db2.gz SSGZPVNKUVFZPD-UHFFFAOYSA-N 1 2 338.194 3.608 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000793252099 1134889386 /nfs/dbraw/zinc/88/93/86/1134889386.db2.gz FJECJFHHPOBQJR-MDZDMXLPSA-N 1 2 340.423 3.541 20 0 EHADLO OCC[N@H+](Cc1csc2ccccc12)Cc1cccnc1Cl ZINC000793365525 1134912011 /nfs/dbraw/zinc/91/20/11/1134912011.db2.gz FVTRUQIMGQVJNH-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO OCC[N@@H+](Cc1csc2ccccc12)Cc1cccnc1Cl ZINC000793365525 1134912020 /nfs/dbraw/zinc/91/20/20/1134912020.db2.gz FVTRUQIMGQVJNH-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1Cl ZINC000793558393 1134957809 /nfs/dbraw/zinc/95/78/09/1134957809.db2.gz SKYWCRZSXNTNAQ-NEPJUHHUSA-N 1 2 349.866 3.860 20 0 EHADLO Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc[nH+]c(C2CCC2)c1 ZINC001192321860 1134998443 /nfs/dbraw/zinc/99/84/43/1134998443.db2.gz XOMVZEULWMZWEA-UHFFFAOYSA-N 1 2 337.832 3.507 20 0 EHADLO Cc1ccc(-c2cccnc2)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000794096673 1135017922 /nfs/dbraw/zinc/01/79/22/1135017922.db2.gz GFPCGXXXKRUFRJ-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804440510 1135077424 /nfs/dbraw/zinc/07/74/24/1135077424.db2.gz IEKMDPMCULKFCL-GFCCVEGCSA-N 1 2 347.846 3.992 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2csc(-c3ccccn3)n2)cn1 ZINC001193095270 1135106623 /nfs/dbraw/zinc/10/66/23/1135106623.db2.gz WZVHIYYLIHZITE-ZDUSSCGKSA-N 1 2 327.457 3.833 20 0 EHADLO CC[C@@H]1C[C@@H]([NH2+][C@H]2CC2(F)F)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460076 1135154890 /nfs/dbraw/zinc/15/48/90/1135154890.db2.gz QBHBCXBTYKCHBQ-FQUUOJAGSA-N 1 2 332.435 3.940 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)NCc3c[nH+]c(C)cc3C)n2C)c1 ZINC001129841810 1135169329 /nfs/dbraw/zinc/16/93/29/1135169329.db2.gz MMOKRPUHZSCXMN-UHFFFAOYSA-N 1 2 333.435 3.942 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC2 ZINC001193773947 1135177933 /nfs/dbraw/zinc/17/79/33/1135177933.db2.gz UMKKDTPTDOGZCO-LIRRHRJNSA-N 1 2 332.463 3.529 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC2 ZINC001193773947 1135177936 /nfs/dbraw/zinc/17/79/36/1135177936.db2.gz UMKKDTPTDOGZCO-LIRRHRJNSA-N 1 2 332.463 3.529 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001193977201 1135209272 /nfs/dbraw/zinc/20/92/72/1135209272.db2.gz PVPCXXNGSUKNLA-JQAFLVLXSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001193977201 1135209275 /nfs/dbraw/zinc/20/92/75/1135209275.db2.gz PVPCXXNGSUKNLA-JQAFLVLXSA-N 1 2 330.255 3.526 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1CCc1ccccc1F ZINC001194010433 1135214117 /nfs/dbraw/zinc/21/41/17/1135214117.db2.gz XCMVZYHYYFVRQA-HXUWFJFHSA-N 1 2 341.426 3.966 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC001194010433 1135214121 /nfs/dbraw/zinc/21/41/21/1135214121.db2.gz XCMVZYHYYFVRQA-HXUWFJFHSA-N 1 2 341.426 3.966 20 0 EHADLO CC[C@]([NH2+]C[C@@H]1CCCC12CCOCC2)(C(=O)OC)c1ccccc1 ZINC001194263126 1135252034 /nfs/dbraw/zinc/25/20/34/1135252034.db2.gz VGHMCLXFZGUEGU-GHTZIAJQSA-N 1 2 345.483 3.651 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1Cl ZINC001194376195 1135259865 /nfs/dbraw/zinc/25/98/65/1135259865.db2.gz AVEKZIKISPCMMK-UHFFFAOYSA-N 1 2 337.847 3.662 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCOCC23CCCCC3)cc1Cl ZINC001194376195 1135259871 /nfs/dbraw/zinc/25/98/71/1135259871.db2.gz AVEKZIKISPCMMK-UHFFFAOYSA-N 1 2 337.847 3.662 20 0 EHADLO O=C(NCc1c[nH+]c2ccc(F)cn12)Oc1ccc2ccccc2c1 ZINC001194677671 1135305201 /nfs/dbraw/zinc/30/52/01/1135305201.db2.gz MWEFSSLWYIPQPX-UHFFFAOYSA-N 1 2 335.338 3.915 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)CO1 ZINC000775609245 1135314651 /nfs/dbraw/zinc/31/46/51/1135314651.db2.gz UGIVRZZQVDKHNX-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)CO1 ZINC000775609245 1135314656 /nfs/dbraw/zinc/31/46/56/1135314656.db2.gz UGIVRZZQVDKHNX-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO CCCc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)cs1 ZINC000805761673 1135329202 /nfs/dbraw/zinc/32/92/02/1135329202.db2.gz DRNDSDDENGAKCZ-OAHLLOKOSA-N 1 2 339.505 3.538 20 0 EHADLO CCCc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)cs1 ZINC000805761673 1135329208 /nfs/dbraw/zinc/32/92/08/1135329208.db2.gz DRNDSDDENGAKCZ-OAHLLOKOSA-N 1 2 339.505 3.538 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001194905317 1135337855 /nfs/dbraw/zinc/33/78/55/1135337855.db2.gz HJGADTBGYGYJSC-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001194905317 1135337861 /nfs/dbraw/zinc/33/78/61/1135337861.db2.gz HJGADTBGYGYJSC-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cccc(C(F)F)c2)c1 ZINC001194906748 1135339447 /nfs/dbraw/zinc/33/94/47/1135339447.db2.gz HCWWSJAROXOSKE-UHFFFAOYSA-N 1 2 341.361 3.955 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H]3CC=CCC3)CC2)cs1 ZINC000805875178 1135342563 /nfs/dbraw/zinc/34/25/63/1135342563.db2.gz TVDJULFXCHBQSJ-HNNXBMFYSA-N 1 2 334.485 3.563 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1OC ZINC000775651210 1135416324 /nfs/dbraw/zinc/41/63/24/1135416324.db2.gz RZANNLJHUKSGQA-IBGZPJMESA-N 1 2 336.439 3.576 20 0 EHADLO CCCCCN(CCCOC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775682099 1135505481 /nfs/dbraw/zinc/50/54/81/1135505481.db2.gz FZTJWTOVOPAUHJ-UHFFFAOYSA-N 1 2 336.480 3.517 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnc(C(F)(F)F)c(C)c3)ccn12 ZINC001130984582 1135551955 /nfs/dbraw/zinc/55/19/55/1135551955.db2.gz RVTPAJMPQWSCFX-UHFFFAOYSA-N 1 2 334.301 3.617 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)NC[C@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000747400782 1135552001 /nfs/dbraw/zinc/55/20/01/1135552001.db2.gz NUSBQYBFGXVLOG-FAOGRTBUSA-N 1 2 349.434 3.511 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C3=CCCC3)n2)C1 ZINC000867180521 1135576843 /nfs/dbraw/zinc/57/68/43/1135576843.db2.gz GMKBHKKWNGWUBW-KRWDZBQOSA-N 1 2 325.412 3.519 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C3=CCCC3)n2)C1 ZINC000867180521 1135576846 /nfs/dbraw/zinc/57/68/46/1135576846.db2.gz GMKBHKKWNGWUBW-KRWDZBQOSA-N 1 2 325.412 3.519 20 0 EHADLO OCCCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775730841 1135591568 /nfs/dbraw/zinc/59/15/68/1135591568.db2.gz KBOXHIVGRNVFHB-QGZVFWFLSA-N 1 2 329.843 3.795 20 0 EHADLO OCCCCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775730841 1135591572 /nfs/dbraw/zinc/59/15/72/1135591572.db2.gz KBOXHIVGRNVFHB-QGZVFWFLSA-N 1 2 329.843 3.795 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CCc1ccccc1 ZINC001196757786 1135608702 /nfs/dbraw/zinc/60/87/02/1135608702.db2.gz BEYHZDXNRNGCAB-SFHVURJKSA-N 1 2 331.843 3.647 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cncc(-c2ccccc2F)c1 ZINC001196850917 1135622959 /nfs/dbraw/zinc/62/29/59/1135622959.db2.gz JGRSZNWUTXMIQB-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808231037 1135634028 /nfs/dbraw/zinc/63/40/28/1135634028.db2.gz WFZYSVBVGXDCSB-OAHLLOKOSA-N 1 2 348.541 3.798 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808231037 1135634030 /nfs/dbraw/zinc/63/40/30/1135634030.db2.gz WFZYSVBVGXDCSB-OAHLLOKOSA-N 1 2 348.541 3.798 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230420 1135638288 /nfs/dbraw/zinc/63/82/88/1135638288.db2.gz IXYQRXSWVPPTLG-AWEZNQCLSA-N 1 2 332.448 3.622 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230420 1135638291 /nfs/dbraw/zinc/63/82/91/1135638291.db2.gz IXYQRXSWVPPTLG-AWEZNQCLSA-N 1 2 332.448 3.622 20 0 EHADLO COCCCn1cnn(C[NH+]2CCC(C)(CC(C)C)CC2)c1=S ZINC000808232116 1135638452 /nfs/dbraw/zinc/63/84/52/1135638452.db2.gz VJBMIHMTRWOAEG-UHFFFAOYSA-N 1 2 340.537 3.556 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001197013132 1135639842 /nfs/dbraw/zinc/63/98/42/1135639842.db2.gz MKGUDOHVFDPQJH-HQRMLTQVSA-N 1 2 333.472 3.664 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001197013132 1135639844 /nfs/dbraw/zinc/63/98/44/1135639844.db2.gz MKGUDOHVFDPQJH-HQRMLTQVSA-N 1 2 333.472 3.664 20 0 EHADLO c1cn(-c2ccc(CSCc3cnnn3-c3ccccc3)cc2)c[nH+]1 ZINC000808366128 1135655148 /nfs/dbraw/zinc/65/51/48/1135655148.db2.gz LDBXEIBKDDWZIA-UHFFFAOYSA-N 1 2 347.447 3.886 20 0 EHADLO Cc1nc(CN[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc2ccccc12 ZINC001197265509 1135667778 /nfs/dbraw/zinc/66/77/78/1135667778.db2.gz SZKBGDLSJXELEG-FQEVSTJZSA-N 1 2 343.434 3.666 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001197650625 1135715999 /nfs/dbraw/zinc/71/59/99/1135715999.db2.gz CNKLPKMHUVQZCC-AWEZNQCLSA-N 1 2 338.386 3.899 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)s1 ZINC000808787705 1135737420 /nfs/dbraw/zinc/73/74/20/1135737420.db2.gz XOYYHEUEOVIANH-RBUKOAKNSA-N 1 2 339.464 3.665 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000808784549 1135737509 /nfs/dbraw/zinc/73/75/09/1135737509.db2.gz ICSKWMKSBLUUIC-UHFFFAOYSA-N 1 2 347.462 3.976 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000808784549 1135737511 /nfs/dbraw/zinc/73/75/11/1135737511.db2.gz ICSKWMKSBLUUIC-UHFFFAOYSA-N 1 2 347.462 3.976 20 0 EHADLO CCn1cnc2c1CC[N@H+](CCCOc1cccc3ccccc31)C2 ZINC001198086209 1135770297 /nfs/dbraw/zinc/77/02/97/1135770297.db2.gz ZEHYFYLUWRCQAA-UHFFFAOYSA-N 1 2 335.451 3.883 20 0 EHADLO CCn1cnc2c1CC[N@@H+](CCCOc1cccc3ccccc31)C2 ZINC001198086209 1135770302 /nfs/dbraw/zinc/77/03/02/1135770302.db2.gz ZEHYFYLUWRCQAA-UHFFFAOYSA-N 1 2 335.451 3.883 20 0 EHADLO COc1cccc(-c2nnc(C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)o2)c1 ZINC000081575210 1135790699 /nfs/dbraw/zinc/79/06/99/1135790699.db2.gz GSNJWWNLNSYUAW-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO COc1cccc(-c2nnc(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)o2)c1 ZINC000081575210 1135790703 /nfs/dbraw/zinc/79/07/03/1135790703.db2.gz GSNJWWNLNSYUAW-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO FC(F)(c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)c1nccs1 ZINC000809404401 1135836548 /nfs/dbraw/zinc/83/65/48/1135836548.db2.gz PSCHEXJBILRWBI-UHFFFAOYSA-N 1 2 345.334 3.519 20 0 EHADLO Cc1cccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001198661798 1135845233 /nfs/dbraw/zinc/84/52/33/1135845233.db2.gz GGTWGVZUWWBHCI-UHFFFAOYSA-N 1 2 327.453 3.630 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3cc(F)ccc3C)CCO2)cc1OC ZINC001198716951 1135852618 /nfs/dbraw/zinc/85/26/18/1135852618.db2.gz CLQZJXJCWNBJRN-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3C)CCO2)cc1OC ZINC001198716951 1135852623 /nfs/dbraw/zinc/85/26/23/1135852623.db2.gz CLQZJXJCWNBJRN-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO CC1(C)C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578594 1135854022 /nfs/dbraw/zinc/85/40/22/1135854022.db2.gz NTVIISXDXDEWLK-UHFFFAOYSA-N 1 2 330.284 3.969 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578594 1135854026 /nfs/dbraw/zinc/85/40/26/1135854026.db2.gz NTVIISXDXDEWLK-UHFFFAOYSA-N 1 2 330.284 3.969 20 0 EHADLO CC1(C)C[N@H+](Cc2cnc(C3OCCO3)s2)[C@H]1c1ccccc1 ZINC000809551888 1135854899 /nfs/dbraw/zinc/85/48/99/1135854899.db2.gz JTSWDHZWJHHVKF-HNNXBMFYSA-N 1 2 330.453 3.772 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnc(C3OCCO3)s2)[C@H]1c1ccccc1 ZINC000809551888 1135854902 /nfs/dbraw/zinc/85/49/02/1135854902.db2.gz JTSWDHZWJHHVKF-HNNXBMFYSA-N 1 2 330.453 3.772 20 0 EHADLO CC(C)(C)OC(=O)NC1CC(Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000809608468 1135856886 /nfs/dbraw/zinc/85/68/86/1135856886.db2.gz SHZHHFXKDLRNCZ-UHFFFAOYSA-N 1 2 346.475 3.540 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)Cc1cnc(C2OCCO2)s1 ZINC000809582784 1135858689 /nfs/dbraw/zinc/85/86/89/1135858689.db2.gz DGGWBCBGJBLJMJ-UHFFFAOYSA-N 1 2 330.409 3.567 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)Cc1cnc(C2OCCO2)s1 ZINC000809582784 1135858691 /nfs/dbraw/zinc/85/86/91/1135858691.db2.gz DGGWBCBGJBLJMJ-UHFFFAOYSA-N 1 2 330.409 3.567 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592893 1135858980 /nfs/dbraw/zinc/85/89/80/1135858980.db2.gz KGOZWSBPPXKFGU-IAGOWNOFSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592893 1135858983 /nfs/dbraw/zinc/85/89/83/1135858983.db2.gz KGOZWSBPPXKFGU-IAGOWNOFSA-N 1 2 343.448 3.819 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@]1(O)C(F)(F)F ZINC001137957697 1135861425 /nfs/dbraw/zinc/86/14/25/1135861425.db2.gz JAESJGPHCPEUSA-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@]1(O)C(F)(F)F ZINC001137957697 1135861429 /nfs/dbraw/zinc/86/14/29/1135861429.db2.gz JAESJGPHCPEUSA-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO OCC[N@H+](C/C=C/c1ccc(F)c(F)c1)Cc1cccnc1Cl ZINC000809658308 1135866704 /nfs/dbraw/zinc/86/67/04/1135866704.db2.gz KTYUEBDUKBYYQI-NSCUHMNNSA-N 1 2 338.785 3.521 20 0 EHADLO OCC[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1cccnc1Cl ZINC000809658308 1135866708 /nfs/dbraw/zinc/86/67/08/1135866708.db2.gz KTYUEBDUKBYYQI-NSCUHMNNSA-N 1 2 338.785 3.521 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000809878107 1135896634 /nfs/dbraw/zinc/89/66/34/1135896634.db2.gz WWZSFEGKRVMMLQ-UHFFFAOYSA-N 1 2 338.436 3.893 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(N2CCOC2=O)cc1 ZINC000809971590 1135904678 /nfs/dbraw/zinc/90/46/78/1135904678.db2.gz IBBDPRUXBWBJQV-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)CCCC3CCCC3)CC2)c1 ZINC001131966684 1135906117 /nfs/dbraw/zinc/90/61/17/1135906117.db2.gz LXTXZFIESAVFES-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810132180 1135925869 /nfs/dbraw/zinc/92/58/69/1135925869.db2.gz JGDMRSITNWCSKE-KGLIPLIRSA-N 1 2 342.443 3.561 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CCc2ccc(C)s2)n1 ZINC000810190637 1135936239 /nfs/dbraw/zinc/93/62/39/1135936239.db2.gz UYECKZRHFUIDNF-UHFFFAOYSA-N 1 2 337.514 3.926 20 0 EHADLO C[C@H](COc1cccc(F)c1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776087454 1135952046 /nfs/dbraw/zinc/95/20/46/1135952046.db2.gz WAAXBHKXSJVTHV-CQSZACIVSA-N 1 2 340.354 3.636 20 0 EHADLO COc1cc(Br)c(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201294784 1136003549 /nfs/dbraw/zinc/00/35/49/1136003549.db2.gz HWULZYCVRYCKOO-UHFFFAOYSA-N 1 2 328.597 3.832 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001132404026 1135994260 /nfs/dbraw/zinc/99/42/60/1135994260.db2.gz BHLKKCDSJGBQDJ-HNNXBMFYSA-N 1 2 335.234 3.910 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001132404026 1135994263 /nfs/dbraw/zinc/99/42/63/1135994263.db2.gz BHLKKCDSJGBQDJ-HNNXBMFYSA-N 1 2 335.234 3.910 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001132404622 1135994336 /nfs/dbraw/zinc/99/43/36/1135994336.db2.gz KSMZNMTVPCLGOK-IPMKNSEASA-N 1 2 340.854 3.746 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001132404622 1135994337 /nfs/dbraw/zinc/99/43/37/1135994337.db2.gz KSMZNMTVPCLGOK-IPMKNSEASA-N 1 2 340.854 3.746 20 0 EHADLO CO[C@@H](C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613758 1135996705 /nfs/dbraw/zinc/99/67/05/1135996705.db2.gz CZVOAWCYKODJAP-GOEBONIOSA-N 1 2 349.368 3.945 20 0 EHADLO CO[C@@H](C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613758 1135996708 /nfs/dbraw/zinc/99/67/08/1135996708.db2.gz CZVOAWCYKODJAP-GOEBONIOSA-N 1 2 349.368 3.945 20 0 EHADLO Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000810692691 1135997525 /nfs/dbraw/zinc/99/75/25/1135997525.db2.gz QHDKHZBULFFCBA-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000810692877 1135997658 /nfs/dbraw/zinc/99/76/58/1135997658.db2.gz RQRLHFMFAVVDKG-WSTZPKSXSA-N 1 2 338.451 3.986 20 0 EHADLO CNc1ccc(Br)c(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201300439 1136004699 /nfs/dbraw/zinc/00/46/99/1136004699.db2.gz RDFOQDGZDNFMDG-UHFFFAOYSA-N 1 2 327.613 3.865 20 0 EHADLO Cc1cc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cs1 ZINC000810879000 1136015908 /nfs/dbraw/zinc/01/59/08/1136015908.db2.gz ZOWLXWYWQCSBGX-UHFFFAOYSA-N 1 2 326.421 3.587 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3sccc3s2)c1C ZINC000747671951 1136040256 /nfs/dbraw/zinc/04/02/56/1136040256.db2.gz VKYAYFMBUKEXSA-UHFFFAOYSA-N 1 2 332.450 3.913 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001132624647 1136047107 /nfs/dbraw/zinc/04/71/07/1136047107.db2.gz XIESXKLCYHRMSC-IBGZPJMESA-N 1 2 338.426 3.550 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001132624647 1136047109 /nfs/dbraw/zinc/04/71/09/1136047109.db2.gz XIESXKLCYHRMSC-IBGZPJMESA-N 1 2 338.426 3.550 20 0 EHADLO Cc1cccc(C)c1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001202206428 1136110322 /nfs/dbraw/zinc/11/03/22/1136110322.db2.gz BVWAHQKPUJLCEO-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC001202267638 1136116497 /nfs/dbraw/zinc/11/64/97/1136116497.db2.gz QRPFFOBDPQRDQW-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC001202267638 1136116500 /nfs/dbraw/zinc/11/65/00/1136116500.db2.gz QRPFFOBDPQRDQW-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(F)c1)Nc1cccc(F)c1 ZINC001202234418 1136117877 /nfs/dbraw/zinc/11/78/77/1136117877.db2.gz LDJKDZXTRIMYEY-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811771653 1136133557 /nfs/dbraw/zinc/13/35/57/1136133557.db2.gz NQNVJFINQMYZHG-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811771653 1136133559 /nfs/dbraw/zinc/13/35/59/1136133559.db2.gz NQNVJFINQMYZHG-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2F)cc1 ZINC001202440406 1136143770 /nfs/dbraw/zinc/14/37/70/1136143770.db2.gz WRSNTZVTOTWMTA-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C ZINC001170669307 1136186936 /nfs/dbraw/zinc/18/69/36/1136186936.db2.gz JWDQPMXEZKOHMM-CJNGLKHVSA-N 1 2 325.399 3.532 20 0 EHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccsc1 ZINC001133233770 1136192138 /nfs/dbraw/zinc/19/21/38/1136192138.db2.gz WDJSQRJVOSSOFC-UHFFFAOYSA-N 1 2 337.448 3.580 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812781247 1136246745 /nfs/dbraw/zinc/24/67/45/1136246745.db2.gz MZZRDYUNEBRJSD-CVEARBPZSA-N 1 2 338.377 3.820 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812781247 1136246749 /nfs/dbraw/zinc/24/67/49/1136246749.db2.gz MZZRDYUNEBRJSD-CVEARBPZSA-N 1 2 338.377 3.820 20 0 EHADLO Cc1occc1C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000812825957 1136250853 /nfs/dbraw/zinc/25/08/53/1136250853.db2.gz SUYGCWPNSXEMLH-UHFFFAOYSA-N 1 2 325.767 3.716 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1nc(Br)cs1 ZINC000850542289 1136282796 /nfs/dbraw/zinc/28/27/96/1136282796.db2.gz LDOKTFSLYVWQPH-PELKAZGASA-N 1 2 339.258 3.949 20 0 EHADLO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000850583203 1136293496 /nfs/dbraw/zinc/29/34/96/1136293496.db2.gz JKNWRJFQVMZCAL-CWSCBRNRSA-N 1 2 341.274 3.678 20 0 EHADLO C[C@H](NCc1nccn1CCc1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000813330190 1136318831 /nfs/dbraw/zinc/31/88/31/1136318831.db2.gz UNMATQHHDBBFOW-KRWDZBQOSA-N 1 2 349.482 3.509 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2C2CCCCC2)c1C ZINC000747861455 1136350184 /nfs/dbraw/zinc/35/01/84/1136350184.db2.gz FVNJTROWTFIZMU-GOSISDBHSA-N 1 2 345.487 3.961 20 0 EHADLO CC(C)c1nc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000851399518 1136376741 /nfs/dbraw/zinc/37/67/41/1136376741.db2.gz WDSVHEOKPUSIFJ-UHFFFAOYSA-N 1 2 345.468 3.735 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400996 1136376759 /nfs/dbraw/zinc/37/67/59/1136376759.db2.gz ZVNKTCXVEJEQEW-UHFFFAOYSA-N 1 2 343.427 3.575 20 0 EHADLO Cc1ncoc1-c1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC001134050994 1136395676 /nfs/dbraw/zinc/39/56/76/1136395676.db2.gz SMDKLKBOUFWWNP-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO COc1cccc(OC)c1OC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851728657 1136401663 /nfs/dbraw/zinc/40/16/63/1136401663.db2.gz RGDMDYNGYVDLRM-UHFFFAOYSA-N 1 2 346.254 3.866 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000851765338 1136406003 /nfs/dbraw/zinc/40/60/03/1136406003.db2.gz SHTLNSYTMLEKMQ-YVEFUNNKSA-N 1 2 348.878 3.527 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000851806276 1136409336 /nfs/dbraw/zinc/40/93/36/1136409336.db2.gz MDHCLGULCAQNPY-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000851806276 1136409338 /nfs/dbraw/zinc/40/93/38/1136409338.db2.gz MDHCLGULCAQNPY-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851868167 1136414726 /nfs/dbraw/zinc/41/47/26/1136414726.db2.gz JWKVMPXARZASDG-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851868167 1136414729 /nfs/dbraw/zinc/41/47/29/1136414729.db2.gz JWKVMPXARZASDG-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)[C@H](CO)c1cccc(Br)c1 ZINC000851887761 1136415934 /nfs/dbraw/zinc/41/59/34/1136415934.db2.gz YXDLDZWTJIPKFD-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)[C@H](CO)c1cccc(Br)c1 ZINC000851887761 1136415938 /nfs/dbraw/zinc/41/59/38/1136415938.db2.gz YXDLDZWTJIPKFD-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO COc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1Cl ZINC000851950772 1136422245 /nfs/dbraw/zinc/42/22/45/1136422245.db2.gz JDBVCGHSPGRCQV-UHFFFAOYSA-N 1 2 335.753 3.692 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226520 1136426128 /nfs/dbraw/zinc/42/61/28/1136426128.db2.gz XHYZMGFWQCVXTK-CYBMUJFWSA-N 1 2 342.386 3.766 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226520 1136426131 /nfs/dbraw/zinc/42/61/31/1136426131.db2.gz XHYZMGFWQCVXTK-CYBMUJFWSA-N 1 2 342.386 3.766 20 0 EHADLO CCc1oc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1C(=O)OC ZINC000338941583 1136429959 /nfs/dbraw/zinc/42/99/59/1136429959.db2.gz BTAVIRZJACDDJB-HNNXBMFYSA-N 1 2 334.441 3.634 20 0 EHADLO O[C@H](C[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1 ZINC000852406593 1136454246 /nfs/dbraw/zinc/45/42/46/1136454246.db2.gz QQHCPEIEFSDUPK-OAHLLOKOSA-N 1 2 341.213 3.619 20 0 EHADLO O[C@H](C[N@H+]1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1 ZINC000852406593 1136454249 /nfs/dbraw/zinc/45/42/49/1136454249.db2.gz QQHCPEIEFSDUPK-OAHLLOKOSA-N 1 2 341.213 3.619 20 0 EHADLO CO[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000814618271 1136480777 /nfs/dbraw/zinc/48/07/77/1136480777.db2.gz BUTXKKZYBOALOR-RDJZCZTQSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1nc(NCc2ccc([C@H](C)O)cc2)c(Br)c(C)[nH+]1 ZINC000853229253 1136519547 /nfs/dbraw/zinc/51/95/47/1136519547.db2.gz KHSYMVOFZVSTNP-JTQLQIEISA-N 1 2 336.233 3.521 20 0 EHADLO OCC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000853485132 1136536463 /nfs/dbraw/zinc/53/64/63/1136536463.db2.gz GEBZWFLAXVQXII-QGZVFWFLSA-N 1 2 348.450 3.593 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2CC[C@H](C3CCCCC3)C2=O)on1 ZINC000853491372 1136537520 /nfs/dbraw/zinc/53/75/20/1136537520.db2.gz QMRNCVXQCZFPKI-SJORKVTESA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CN2CC[C@H](C3CCCCC3)C2=O)on1 ZINC000853491372 1136537524 /nfs/dbraw/zinc/53/75/24/1136537524.db2.gz QMRNCVXQCZFPKI-SJORKVTESA-N 1 2 331.460 3.506 20 0 EHADLO CC(C)[C@H]1CCc2nc(NC(=O)C[C@@H](C)n3cc[nH+]c3)sc2C1 ZINC001134833441 1136538627 /nfs/dbraw/zinc/53/86/27/1136538627.db2.gz NNDZFBGAASYDEV-OLZOCXBDSA-N 1 2 332.473 3.690 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccco3)CC2)C1 ZINC000853527111 1136541715 /nfs/dbraw/zinc/54/17/15/1136541715.db2.gz KRCUFWAYONGEQO-CQSZACIVSA-N 1 2 346.496 3.855 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CC[C@H](C3CCCCC3)C1)-c1ccccc1C2 ZINC000853553551 1136543675 /nfs/dbraw/zinc/54/36/75/1136543675.db2.gz FPGMWBZDDLQFOI-SFHVURJKSA-N 1 2 349.478 3.674 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CC[C@H](C3CCCCC3)C1)-c1ccccc1C2 ZINC000853553551 1136543677 /nfs/dbraw/zinc/54/36/77/1136543677.db2.gz FPGMWBZDDLQFOI-SFHVURJKSA-N 1 2 349.478 3.674 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccnc(Br)c1 ZINC000815076417 1136547779 /nfs/dbraw/zinc/54/77/79/1136547779.db2.gz FHNFNAKBJRPWAF-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccnc(Br)c1 ZINC000815076417 1136547782 /nfs/dbraw/zinc/54/77/82/1136547782.db2.gz FHNFNAKBJRPWAF-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO CCn1c(C[NH2+]Cc2conc2Cc2ccccc2)nc2ccccc21 ZINC000815123675 1136553492 /nfs/dbraw/zinc/55/34/92/1136553492.db2.gz LDDJYTWHCKGBND-UHFFFAOYSA-N 1 2 346.434 3.925 20 0 EHADLO Cn1ncc(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)c1Cl ZINC000815137945 1136560749 /nfs/dbraw/zinc/56/07/49/1136560749.db2.gz UTQAVDAEAGYYCM-NSHDSACASA-N 1 2 346.645 3.994 20 0 EHADLO CCc1noc(C)c1C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000815147150 1136562617 /nfs/dbraw/zinc/56/26/17/1136562617.db2.gz XRWCNDMZXOVUOM-UHFFFAOYSA-N 1 2 339.226 3.790 20 0 EHADLO CC1(C)CCC[C@@](O)(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000854031937 1136581538 /nfs/dbraw/zinc/58/15/38/1136581538.db2.gz NJHHLLSWOMRTAJ-IBGZPJMESA-N 1 2 338.411 3.710 20 0 EHADLO COc1ncc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1Cl ZINC001170782828 1136583006 /nfs/dbraw/zinc/58/30/06/1136583006.db2.gz JNILOMDWUFWQMS-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ncc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1Cl ZINC001170782828 1136583010 /nfs/dbraw/zinc/58/30/10/1136583010.db2.gz JNILOMDWUFWQMS-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@@H]([NH3+])COC(C)C)n1 ZINC000854144716 1136591780 /nfs/dbraw/zinc/59/17/80/1136591780.db2.gz NQSJBBLBVZOHLR-KRWDZBQOSA-N 1 2 345.487 4.000 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(C2CC3(C2)CCCCC3)n1 ZINC000854165512 1136593962 /nfs/dbraw/zinc/59/39/62/1136593962.db2.gz JHRVMNIHUPGFNV-ZDUSSCGKSA-N 1 2 335.448 3.629 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cc(Br)c2ccccc2c1 ZINC000815968136 1136654978 /nfs/dbraw/zinc/65/49/78/1136654978.db2.gz XRKDVXKRULXTSH-UHFFFAOYSA-N 1 2 345.196 3.693 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc2ncsc2c1 ZINC000776806770 1136687122 /nfs/dbraw/zinc/68/71/22/1136687122.db2.gz BFTDFKIXGGUTPR-ZDUSSCGKSA-N 1 2 335.436 3.728 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000816520325 1136726761 /nfs/dbraw/zinc/72/67/61/1136726761.db2.gz MBYKRTHRKHAWJZ-JSGCOSHPSA-N 1 2 338.498 3.687 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000816520325 1136726763 /nfs/dbraw/zinc/72/67/63/1136726763.db2.gz MBYKRTHRKHAWJZ-JSGCOSHPSA-N 1 2 338.498 3.687 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000816521190 1136727134 /nfs/dbraw/zinc/72/71/34/1136727134.db2.gz JPEIICVNNAZXST-PMACEKPBSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000816521190 1136727138 /nfs/dbraw/zinc/72/71/38/1136727138.db2.gz JPEIICVNNAZXST-PMACEKPBSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cn(Cc3ccccc3)nn1)CC2 ZINC000776856307 1136747582 /nfs/dbraw/zinc/74/75/82/1136747582.db2.gz MVKWJINCBKPORH-UHFFFAOYSA-N 1 2 332.451 3.502 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1cn(Cc3ccccc3)nn1)CC2 ZINC000776856307 1136747584 /nfs/dbraw/zinc/74/75/84/1136747584.db2.gz MVKWJINCBKPORH-UHFFFAOYSA-N 1 2 332.451 3.502 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C(C)=C\C(C)(C)C)CC1 ZINC001135665597 1136748544 /nfs/dbraw/zinc/74/85/44/1136748544.db2.gz JZVAPNRNWOATAT-VKAVYKQESA-N 1 2 344.499 3.640 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2Cc2c[nH]c3c2cccc3F)C1 ZINC001137051522 1136788586 /nfs/dbraw/zinc/78/85/86/1136788586.db2.gz URFCRFANDUBUIP-UHFFFAOYSA-N 1 2 345.418 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2Cc2c[nH]c3c2cccc3F)C1 ZINC001137051522 1136788587 /nfs/dbraw/zinc/78/85/87/1136788587.db2.gz URFCRFANDUBUIP-UHFFFAOYSA-N 1 2 345.418 3.502 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC=C(c2ccccc2)C1)C1CCCCC1 ZINC000856741047 1136805849 /nfs/dbraw/zinc/80/58/49/1136805849.db2.gz DROHODVTPWJJAP-UHFFFAOYSA-N 1 2 333.497 3.523 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC=C(c2ccccc2)C1)C1CCCCC1 ZINC000856741047 1136805853 /nfs/dbraw/zinc/80/58/53/1136805853.db2.gz DROHODVTPWJJAP-UHFFFAOYSA-N 1 2 333.497 3.523 20 0 EHADLO C/C(=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000856775138 1136810064 /nfs/dbraw/zinc/81/00/64/1136810064.db2.gz FSNOEEFVIPLAGT-SQFISAMPSA-N 1 2 342.464 3.622 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C(/C)c1cccs1 ZINC000857192247 1136851790 /nfs/dbraw/zinc/85/17/90/1136851790.db2.gz FRKFZQIGUIWESG-PFONDFGASA-N 1 2 331.485 3.849 20 0 EHADLO C[N@H+](CN1CCC1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000857236365 1136856042 /nfs/dbraw/zinc/85/60/42/1136856042.db2.gz ZZJNAPWRDORSJF-SFHVURJKSA-N 1 2 332.806 3.690 20 0 EHADLO C[N@@H+](CN1CCC1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000857236365 1136856044 /nfs/dbraw/zinc/85/60/44/1136856044.db2.gz ZZJNAPWRDORSJF-SFHVURJKSA-N 1 2 332.806 3.690 20 0 EHADLO O=C(Nc1ccc(Oc2ccccn2)cc1)c1cccc2[nH+]ccn21 ZINC000776927597 1136857509 /nfs/dbraw/zinc/85/75/09/1136857509.db2.gz JDMFOQKIWMZGQP-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(C(OC)OC)ccc2F)cs1 ZINC000818188193 1136864225 /nfs/dbraw/zinc/86/42/25/1136864225.db2.gz WGRKBRGJURRIJT-LLVKDONJSA-N 1 2 338.448 3.987 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H]3C[C@@]3(F)c3ccccc3)cc12 ZINC000818229870 1136868298 /nfs/dbraw/zinc/86/82/98/1136868298.db2.gz GALCAMPGBLPZIC-MAUKXSAKSA-N 1 2 344.821 3.657 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001170895371 1136869252 /nfs/dbraw/zinc/86/92/52/1136869252.db2.gz DBTBDPUMKNGMEQ-YOEHRIQHSA-N 1 2 343.854 3.919 20 0 EHADLO Cc1ccc2c(c1)C=C(C(=O)Nc1ccccc1-n1cc[nH+]c1)CO2 ZINC001136185474 1136911237 /nfs/dbraw/zinc/91/12/37/1136911237.db2.gz AJJWRXKHHPUSKA-UHFFFAOYSA-N 1 2 331.375 3.595 20 0 EHADLO O=C(/C=C\[C@@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000819111726 1136914877 /nfs/dbraw/zinc/91/48/77/1136914877.db2.gz UEEGYIQKMUTCIY-LENZSSGSSA-N 1 2 337.423 3.560 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000858033626 1136933834 /nfs/dbraw/zinc/93/38/34/1136933834.db2.gz PSSNPWYMCZYAFY-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000858033626 1136933836 /nfs/dbraw/zinc/93/38/36/1136933836.db2.gz PSSNPWYMCZYAFY-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000858223082 1136950389 /nfs/dbraw/zinc/95/03/89/1136950389.db2.gz WUYPLXYHCYFRJB-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000858419930 1136966094 /nfs/dbraw/zinc/96/60/94/1136966094.db2.gz HCDJTCXSRYULAC-RHSMWYFYSA-N 1 2 341.455 3.974 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3nc(Cl)cs3)CC2)cc1 ZINC000858427158 1136966817 /nfs/dbraw/zinc/96/68/17/1136966817.db2.gz YDZIMFXTVUZZRU-UHFFFAOYSA-N 1 2 336.892 3.943 20 0 EHADLO O[C@H](C[C@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12)c1ccco1 ZINC000858443440 1136967886 /nfs/dbraw/zinc/96/78/86/1136967886.db2.gz CUSLNGKWGWNCJT-RDTXWAMCSA-N 1 2 348.406 3.568 20 0 EHADLO Clc1cccc2c1C[C@H]([N@@H+]1CCOC[C@H]1c1cccnc1)CC2 ZINC001170945302 1136985844 /nfs/dbraw/zinc/98/58/44/1136985844.db2.gz VMBBGQUFKRAVQL-APWZRJJASA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1C[C@H]([N@H+]1CCOC[C@H]1c1cccnc1)CC2 ZINC001170945302 1136985846 /nfs/dbraw/zinc/98/58/46/1136985846.db2.gz VMBBGQUFKRAVQL-APWZRJJASA-N 1 2 328.843 3.666 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)OCc2ccc(Cl)cc2)c1C ZINC000858927541 1136997238 /nfs/dbraw/zinc/99/72/38/1136997238.db2.gz NMEBVNSPLVZOMD-UHFFFAOYSA-N 1 2 334.803 3.787 20 0 EHADLO CC(C)C[C@H](C(=O)Oc1ccc(NC(=O)C(C)C)cc1)n1cc[nH+]c1 ZINC000820720688 1137002955 /nfs/dbraw/zinc/00/29/55/1137002955.db2.gz JVPBNGDNNGEHII-QGZVFWFLSA-N 1 2 343.427 3.670 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccnc(F)c1 ZINC000859257847 1137009749 /nfs/dbraw/zinc/00/97/49/1137009749.db2.gz GEGHUVFYVSRFCI-XHSDSOJGSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccnc(F)c1 ZINC000859257847 1137009751 /nfs/dbraw/zinc/00/97/51/1137009751.db2.gz GEGHUVFYVSRFCI-XHSDSOJGSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001136394417 1137010983 /nfs/dbraw/zinc/01/09/83/1137010983.db2.gz LSDMAARNLNXLSF-KRWDZBQOSA-N 1 2 345.462 3.921 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)CC1(C)CCCC1 ZINC001136442367 1137025614 /nfs/dbraw/zinc/02/56/14/1137025614.db2.gz PFPGYVNEZVKGAJ-UHFFFAOYSA-N 1 2 338.536 3.698 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1CCCCCCC1 ZINC000266020464 1137029156 /nfs/dbraw/zinc/02/91/56/1137029156.db2.gz UDNYHLUACWIQJY-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000859938623 1137037890 /nfs/dbraw/zinc/03/78/90/1137037890.db2.gz KHSZVGRIQWJOAY-LJQANCHMSA-N 1 2 349.430 3.604 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000859938623 1137037892 /nfs/dbraw/zinc/03/78/92/1137037892.db2.gz KHSZVGRIQWJOAY-LJQANCHMSA-N 1 2 349.430 3.604 20 0 EHADLO CC(C)(C)c1nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)co1 ZINC000821843805 1137039917 /nfs/dbraw/zinc/03/99/17/1137039917.db2.gz PMWKCYHYHPVGLZ-UHFFFAOYSA-N 1 2 344.459 3.501 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000860095931 1137044188 /nfs/dbraw/zinc/04/41/88/1137044188.db2.gz VGJPBXMBIGMRBN-AWEZNQCLSA-N 1 2 338.496 3.589 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000860095931 1137044189 /nfs/dbraw/zinc/04/41/89/1137044189.db2.gz VGJPBXMBIGMRBN-AWEZNQCLSA-N 1 2 338.496 3.589 20 0 EHADLO COC[C@H](C)[N@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000860115149 1137045246 /nfs/dbraw/zinc/04/52/46/1137045246.db2.gz VDXSRIKZPHWANI-BBRMVZONSA-N 1 2 333.863 3.598 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000860115149 1137045248 /nfs/dbraw/zinc/04/52/48/1137045248.db2.gz VDXSRIKZPHWANI-BBRMVZONSA-N 1 2 333.863 3.598 20 0 EHADLO Cc1cc2c[nH]nc2cc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136608271 1137067573 /nfs/dbraw/zinc/06/75/73/1137067573.db2.gz UHXRBYOJYYQYAJ-INIZCTEOSA-N 1 2 345.406 3.755 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC000822712321 1137071558 /nfs/dbraw/zinc/07/15/58/1137071558.db2.gz FNTMSQDZSICVMH-GOSISDBHSA-N 1 2 329.419 3.503 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnc(C4CC4)nc3)c2)[nH+]c1C ZINC000822732676 1137071924 /nfs/dbraw/zinc/07/19/24/1137071924.db2.gz XLZAOCZTNWPXLW-UHFFFAOYSA-N 1 2 333.395 3.613 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC001136651378 1137081514 /nfs/dbraw/zinc/08/15/14/1137081514.db2.gz GAIYYUDJEQHBJP-UHFFFAOYSA-N 1 2 333.391 3.993 20 0 EHADLO CC[N@@H+](Cc1ccnc(Cl)c1F)C[C@@H]1COc2ccccc2O1 ZINC000823386733 1137097661 /nfs/dbraw/zinc/09/76/61/1137097661.db2.gz LDTDLTPNYBIPRG-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO CC[N@H+](Cc1ccnc(Cl)c1F)C[C@@H]1COc2ccccc2O1 ZINC000823386733 1137097663 /nfs/dbraw/zinc/09/76/63/1137097663.db2.gz LDTDLTPNYBIPRG-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000823393385 1137098202 /nfs/dbraw/zinc/09/82/02/1137098202.db2.gz JLNDZZWLTWUKSN-YJNKXOJESA-N 1 2 349.475 3.875 20 0 EHADLO Oc1ccc2c(c1)C[C@H](Nc1cccc(Cc3ccncc3)[nH+]1)CC2 ZINC001171030832 1137113145 /nfs/dbraw/zinc/11/31/45/1137113145.db2.gz ZIGLYQNKAQVQKH-LJQANCHMSA-N 1 2 331.419 3.742 20 0 EHADLO C[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccccc2O1 ZINC001136821072 1137126050 /nfs/dbraw/zinc/12/60/50/1137126050.db2.gz PULHJTVTLAYPLM-DOTOQJQBSA-N 1 2 347.418 3.746 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1Br ZINC001136854240 1137131921 /nfs/dbraw/zinc/13/19/21/1137131921.db2.gz OAPVQYQRYDNKLB-LBPRGKRZSA-N 1 2 338.142 3.958 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1Br ZINC001136854240 1137131919 /nfs/dbraw/zinc/13/19/19/1137131919.db2.gz OAPVQYQRYDNKLB-LBPRGKRZSA-N 1 2 338.142 3.958 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC001136857395 1137132554 /nfs/dbraw/zinc/13/25/54/1137132554.db2.gz CQRBQBAAROSNPE-LPHOPBHVSA-N 1 2 340.471 3.694 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccco2)C2CCCC2)c(Br)n1 ZINC000862220973 1137132636 /nfs/dbraw/zinc/13/26/36/1137132636.db2.gz OUPZCCJGBCIVLW-UHFFFAOYSA-N 1 2 338.249 3.720 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccco2)C2CCCC2)c(Br)n1 ZINC000862220973 1137132637 /nfs/dbraw/zinc/13/26/37/1137132637.db2.gz OUPZCCJGBCIVLW-UHFFFAOYSA-N 1 2 338.249 3.720 20 0 EHADLO Clc1ccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)cc1Cl ZINC001136871910 1137138829 /nfs/dbraw/zinc/13/88/29/1137138829.db2.gz SFPOIGXIUWCIPI-UHFFFAOYSA-N 1 2 326.227 3.760 20 0 EHADLO Clc1ccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)cc1Cl ZINC001136871910 1137138830 /nfs/dbraw/zinc/13/88/30/1137138830.db2.gz SFPOIGXIUWCIPI-UHFFFAOYSA-N 1 2 326.227 3.760 20 0 EHADLO CC(C)(C)c1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC001136882857 1137139496 /nfs/dbraw/zinc/13/94/96/1137139496.db2.gz LCTLZTYUDMGJNG-UHFFFAOYSA-N 1 2 348.494 3.954 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000862358876 1137140134 /nfs/dbraw/zinc/14/01/34/1137140134.db2.gz YSOZAQQOGPIGLO-IBGZPJMESA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000862358876 1137140135 /nfs/dbraw/zinc/14/01/35/1137140135.db2.gz YSOZAQQOGPIGLO-IBGZPJMESA-N 1 2 347.459 3.527 20 0 EHADLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000824615529 1137145102 /nfs/dbraw/zinc/14/51/02/1137145102.db2.gz IIKSTENGSXOYIW-HNNXBMFYSA-N 1 2 347.846 3.551 20 0 EHADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000824615529 1137145103 /nfs/dbraw/zinc/14/51/03/1137145103.db2.gz IIKSTENGSXOYIW-HNNXBMFYSA-N 1 2 347.846 3.551 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC001136921630 1137147943 /nfs/dbraw/zinc/14/79/43/1137147943.db2.gz JKCAZPOKEHAZBH-GFCCVEGCSA-N 1 2 346.418 3.994 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC001136921630 1137147945 /nfs/dbraw/zinc/14/79/45/1137147945.db2.gz JKCAZPOKEHAZBH-GFCCVEGCSA-N 1 2 346.418 3.994 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)cc1F ZINC000862541844 1137149384 /nfs/dbraw/zinc/14/93/84/1137149384.db2.gz XWACPUFJFHYCIQ-LLVKDONJSA-N 1 2 343.324 3.566 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)cc1F ZINC000862541844 1137149386 /nfs/dbraw/zinc/14/93/86/1137149386.db2.gz XWACPUFJFHYCIQ-LLVKDONJSA-N 1 2 343.324 3.566 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cc3cc(Cl)cnc3o1)CCO2 ZINC000824908747 1137156175 /nfs/dbraw/zinc/15/61/75/1137156175.db2.gz CQYWOOMLCHBQRW-UHFFFAOYSA-N 1 2 344.798 3.884 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cc3cc(Cl)cnc3o1)CCO2 ZINC000824908747 1137156177 /nfs/dbraw/zinc/15/61/77/1137156177.db2.gz CQYWOOMLCHBQRW-UHFFFAOYSA-N 1 2 344.798 3.884 20 0 EHADLO FC1(F)CN(Cc2nc3ccccc3s2)CC[C@@H]1[NH+]1CCCC1 ZINC001136957590 1137156711 /nfs/dbraw/zinc/15/67/11/1137156711.db2.gz JIMNJEQVGNWCTN-HNNXBMFYSA-N 1 2 337.439 3.602 20 0 EHADLO CC1(C)CCC(C)(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000824982058 1137161141 /nfs/dbraw/zinc/16/11/41/1137161141.db2.gz JQEWELGHEOYSLS-LBPRGKRZSA-N 1 2 331.382 3.852 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@H]3C[C@H](C)n4ccnc43)c(Cl)nc21 ZINC000825016915 1137161886 /nfs/dbraw/zinc/16/18/86/1137161886.db2.gz JGIYDOHOLKFXDL-FZMZJTMJSA-N 1 2 344.850 3.658 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)no1 ZINC001136995418 1137167359 /nfs/dbraw/zinc/16/73/59/1137167359.db2.gz JNNKKHLMBYAIAV-SNVBAGLBSA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@@H+](Cc3cncc(Cl)c3)C2)no1 ZINC001136995418 1137167361 /nfs/dbraw/zinc/16/73/61/1137167361.db2.gz JNNKKHLMBYAIAV-SNVBAGLBSA-N 1 2 346.740 3.516 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000825215381 1137169185 /nfs/dbraw/zinc/16/91/85/1137169185.db2.gz OFXWQVZQRQOGPE-HNNXBMFYSA-N 1 2 326.387 3.626 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000825215381 1137169186 /nfs/dbraw/zinc/16/91/86/1137169186.db2.gz OFXWQVZQRQOGPE-HNNXBMFYSA-N 1 2 326.387 3.626 20 0 EHADLO Cn1c[nH+]cc1COC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000805889782 1137172090 /nfs/dbraw/zinc/17/20/90/1137172090.db2.gz OJPLBLWNNMEWTN-UHFFFAOYSA-N 1 2 330.403 3.796 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnc([C@H](C)O)s2)c2ccco2)cc1 ZINC000825316900 1137172558 /nfs/dbraw/zinc/17/25/58/1137172558.db2.gz XYAWFBIORITQOC-SJCJKPOMSA-N 1 2 344.436 3.677 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3c2O[C@H](C)C3)n1 ZINC000825390064 1137174304 /nfs/dbraw/zinc/17/43/04/1137174304.db2.gz YHVGGYVGFGHKLH-GFCCVEGCSA-N 1 2 345.468 3.561 20 0 EHADLO FC(F)(F)c1ccc(OC2C[NH+](Cc3ccc4c(c3)COC4)C2)cc1 ZINC001137030775 1137176559 /nfs/dbraw/zinc/17/65/59/1137176559.db2.gz MJWGYJDZMSUKON-UHFFFAOYSA-N 1 2 349.352 3.999 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000863255357 1137178090 /nfs/dbraw/zinc/17/80/90/1137178090.db2.gz CYEBCWBQBDVVAT-KRWDZBQOSA-N 1 2 328.437 3.864 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000863255357 1137178092 /nfs/dbraw/zinc/17/80/92/1137178092.db2.gz CYEBCWBQBDVVAT-KRWDZBQOSA-N 1 2 328.437 3.864 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341233 1137181621 /nfs/dbraw/zinc/18/16/21/1137181621.db2.gz QDNYJOJPJDKGOS-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341233 1137181622 /nfs/dbraw/zinc/18/16/22/1137181622.db2.gz QDNYJOJPJDKGOS-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341232 1137181690 /nfs/dbraw/zinc/18/16/90/1137181690.db2.gz QDNYJOJPJDKGOS-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341232 1137181691 /nfs/dbraw/zinc/18/16/91/1137181691.db2.gz QDNYJOJPJDKGOS-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(Cl)c1F ZINC001143627263 1137183919 /nfs/dbraw/zinc/18/39/19/1137183919.db2.gz HMDQKWJAVDGNAV-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(Cl)c1F ZINC001143627263 1137183920 /nfs/dbraw/zinc/18/39/20/1137183920.db2.gz HMDQKWJAVDGNAV-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143627459 1137184038 /nfs/dbraw/zinc/18/40/38/1137184038.db2.gz NVIZQPWJNFYEBD-LLVKDONJSA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143627459 1137184039 /nfs/dbraw/zinc/18/40/39/1137184039.db2.gz NVIZQPWJNFYEBD-LLVKDONJSA-N 1 2 341.789 3.943 20 0 EHADLO Cc1cccc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1F ZINC000863673408 1137198654 /nfs/dbraw/zinc/19/86/54/1137198654.db2.gz UCOCPVYPQNOCFU-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000844131341 1137200087 /nfs/dbraw/zinc/20/00/87/1137200087.db2.gz NVGSQCWMRHGVAQ-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO CC1(C(N)=O)CC[NH+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001143798033 1137200628 /nfs/dbraw/zinc/20/06/28/1137200628.db2.gz AWMNBTXECQWGQS-UHFFFAOYSA-N 1 2 335.662 3.734 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1OC(F)(F)F ZINC001143867591 1137206824 /nfs/dbraw/zinc/20/68/24/1137206824.db2.gz DVPWSNGWFAXMPN-KGLIPLIRSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1OC(F)(F)F ZINC001143867591 1137206826 /nfs/dbraw/zinc/20/68/26/1137206826.db2.gz DVPWSNGWFAXMPN-KGLIPLIRSA-N 1 2 339.304 3.866 20 0 EHADLO Cc1cc(C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)o1 ZINC000119726036 1137208769 /nfs/dbraw/zinc/20/87/69/1137208769.db2.gz BFXLJBCAPPNCAI-INIZCTEOSA-N 1 2 326.400 3.828 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1n[nH]c2ccc(F)cc21 ZINC001143904839 1137211846 /nfs/dbraw/zinc/21/18/46/1137211846.db2.gz LPXHAZHHGDKGSJ-CQSZACIVSA-N 1 2 349.369 3.586 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794582473 1137214577 /nfs/dbraw/zinc/21/45/77/1137214577.db2.gz OBOVKIFIXNODGY-LJQANCHMSA-N 1 2 346.858 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794582473 1137214578 /nfs/dbraw/zinc/21/45/78/1137214578.db2.gz OBOVKIFIXNODGY-LJQANCHMSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c(F)c1F ZINC001143916484 1137214709 /nfs/dbraw/zinc/21/47/09/1137214709.db2.gz BDYVZQOJZWRSOO-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383916 1137215986 /nfs/dbraw/zinc/21/59/86/1137215986.db2.gz AWTWRKAVSVBLIA-AWEZNQCLSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383916 1137215988 /nfs/dbraw/zinc/21/59/88/1137215988.db2.gz AWTWRKAVSVBLIA-AWEZNQCLSA-N 1 2 329.362 3.821 20 0 EHADLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(Cl)ccc(F)c1F ZINC001143949699 1137220461 /nfs/dbraw/zinc/22/04/61/1137220461.db2.gz SRZQCVAGQXFXFX-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(Cl)ccc(F)c1F ZINC001143949699 1137220463 /nfs/dbraw/zinc/22/04/63/1137220463.db2.gz SRZQCVAGQXFXFX-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO CC[C@H]1[N@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@]12CCC(=O)N2 ZINC001143954789 1137220735 /nfs/dbraw/zinc/22/07/35/1137220735.db2.gz MMDQPXLDAYHFOW-PBHICJAKSA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@H]1[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@]12CCC(=O)N2 ZINC001143954789 1137220736 /nfs/dbraw/zinc/22/07/36/1137220736.db2.gz MMDQPXLDAYHFOW-PBHICJAKSA-N 1 2 342.817 3.641 20 0 EHADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(Oc2ccccc2)cc1 ZINC000844456139 1137221416 /nfs/dbraw/zinc/22/14/16/1137221416.db2.gz UMUMZUASJUKYOR-CALCHBBNSA-N 1 2 344.361 3.614 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(Oc2ccccc2)cc1 ZINC000844456139 1137221417 /nfs/dbraw/zinc/22/14/17/1137221417.db2.gz UMUMZUASJUKYOR-CALCHBBNSA-N 1 2 344.361 3.614 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440491 1137223717 /nfs/dbraw/zinc/22/37/17/1137223717.db2.gz UAYVDVGSHLYAKA-HOCLYGCPSA-N 1 2 340.801 3.567 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440491 1137223720 /nfs/dbraw/zinc/22/37/20/1137223720.db2.gz UAYVDVGSHLYAKA-HOCLYGCPSA-N 1 2 340.801 3.567 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCc2cccnc2C1 ZINC001144005495 1137225054 /nfs/dbraw/zinc/22/50/54/1137225054.db2.gz VCGQBAUIYXDQBQ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCc2cccnc2C1 ZINC001144005495 1137225056 /nfs/dbraw/zinc/22/50/56/1137225056.db2.gz VCGQBAUIYXDQBQ-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(F)c(OCC)c(F)c1)C1CCCC1 ZINC001144031707 1137228005 /nfs/dbraw/zinc/22/80/05/1137228005.db2.gz FECCVWCINRQJMI-UHFFFAOYSA-N 1 2 341.398 3.671 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(F)c(OCC)c(F)c1)C1CCCC1 ZINC001144031707 1137228006 /nfs/dbraw/zinc/22/80/06/1137228006.db2.gz FECCVWCINRQJMI-UHFFFAOYSA-N 1 2 341.398 3.671 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000120052006 1137228171 /nfs/dbraw/zinc/22/81/71/1137228171.db2.gz OUSKYWHQOSXGRY-LJQANCHMSA-N 1 2 343.377 3.520 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000120052006 1137228172 /nfs/dbraw/zinc/22/81/72/1137228172.db2.gz OUSKYWHQOSXGRY-LJQANCHMSA-N 1 2 343.377 3.520 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1F ZINC001144023605 1137229663 /nfs/dbraw/zinc/22/96/63/1137229663.db2.gz YJFLWILHEMJENW-UHFFFAOYSA-N 1 2 346.421 3.994 20 0 EHADLO C[C@@H](CC(C)(C)C)CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000864498887 1137230118 /nfs/dbraw/zinc/23/01/18/1137230118.db2.gz CYFDVDBAVVGHGB-INIZCTEOSA-N 1 2 348.512 3.919 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000120178653 1137240522 /nfs/dbraw/zinc/24/05/22/1137240522.db2.gz OUPGNOUVRAJCFN-ZDUSSCGKSA-N 1 2 349.402 3.676 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cccc(C(F)F)c2)cc1OC ZINC000794716561 1137243157 /nfs/dbraw/zinc/24/31/57/1137243157.db2.gz VEODCMZOPJGHDR-UHFFFAOYSA-N 1 2 336.338 3.688 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000844691441 1137244785 /nfs/dbraw/zinc/24/47/85/1137244785.db2.gz MSVYYHGYYQHQFW-AWEZNQCLSA-N 1 2 349.887 3.847 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000844691441 1137244787 /nfs/dbraw/zinc/24/47/87/1137244787.db2.gz MSVYYHGYYQHQFW-AWEZNQCLSA-N 1 2 349.887 3.847 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn4c(n3)C[C@@H](C)CC4)c2)[nH+]c1C ZINC000864989195 1137256829 /nfs/dbraw/zinc/25/68/29/1137256829.db2.gz QVONZUJNJLQCNM-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCc2ccc(Cl)cc21 ZINC000844840098 1137259144 /nfs/dbraw/zinc/25/91/44/1137259144.db2.gz FDFDEMHOBALCFN-ZDUSSCGKSA-N 1 2 339.826 3.790 20 0 EHADLO CC(C)(CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000865065016 1137261117 /nfs/dbraw/zinc/26/11/17/1137261117.db2.gz CHJYMDJTAKXTFY-UHFFFAOYSA-N 1 2 329.419 3.623 20 0 EHADLO Brc1c(C[N@@H+]2CCCC23COC3)ccc2ccccc21 ZINC001144313148 1137272692 /nfs/dbraw/zinc/27/26/92/1137272692.db2.gz UWLPRURMOFEPEE-UHFFFAOYSA-N 1 2 332.241 3.967 20 0 EHADLO Brc1c(C[N@H+]2CCCC23COC3)ccc2ccccc21 ZINC001144313148 1137272694 /nfs/dbraw/zinc/27/26/94/1137272694.db2.gz UWLPRURMOFEPEE-UHFFFAOYSA-N 1 2 332.241 3.967 20 0 EHADLO Brc1c(CN2CCn3c[nH+]cc3C2)ccc2ccccc21 ZINC001144312660 1137272755 /nfs/dbraw/zinc/27/27/55/1137272755.db2.gz ARKFUMNTZWGHNX-UHFFFAOYSA-N 1 2 342.240 3.815 20 0 EHADLO CN(C[Si](C)(C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001144344557 1137276401 /nfs/dbraw/zinc/27/64/01/1137276401.db2.gz VLQJXCACFLZXEK-MRXNPFEDSA-N 1 2 338.955 3.640 20 0 EHADLO CN(C[Si](C)(C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001144344557 1137276403 /nfs/dbraw/zinc/27/64/03/1137276403.db2.gz VLQJXCACFLZXEK-MRXNPFEDSA-N 1 2 338.955 3.640 20 0 EHADLO CC(C)c1ccc2c(c1)CCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845228813 1137281336 /nfs/dbraw/zinc/28/13/36/1137281336.db2.gz KYSHCJGZYDYWKN-UHFFFAOYSA-N 1 2 337.467 3.865 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1nc2ccccc2[nH]1 ZINC000865413751 1137281515 /nfs/dbraw/zinc/28/15/15/1137281515.db2.gz WGBSTBJKOIGYIK-QGZVFWFLSA-N 1 2 336.395 3.897 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)c(OC)c1 ZINC000865418536 1137281730 /nfs/dbraw/zinc/28/17/30/1137281730.db2.gz HBZNDPLBEVRQEP-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000845283830 1137283584 /nfs/dbraw/zinc/28/35/84/1137283584.db2.gz HMZNBGAHRFRZKQ-VXGBXAGGSA-N 1 2 337.217 3.901 20 0 EHADLO COc1nc(C)cc(C)c1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865445673 1137284514 /nfs/dbraw/zinc/28/45/14/1137284514.db2.gz LKWVUKRWRHHCAE-UHFFFAOYSA-N 1 2 326.227 3.699 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1OC ZINC000865462758 1137286172 /nfs/dbraw/zinc/28/61/72/1137286172.db2.gz AELKGNXDJCKREA-SNVBAGLBSA-N 1 2 346.358 3.541 20 0 EHADLO Cc1csc([C@H]([NH2+]Cc2cccnc2Br)C2CC2)n1 ZINC000865474523 1137286996 /nfs/dbraw/zinc/28/69/96/1137286996.db2.gz JHQAGBGZKGDJSO-GFCCVEGCSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC34CCC(CC3)C4)CC2)cs1 ZINC000805983710 1137288509 /nfs/dbraw/zinc/28/85/09/1137288509.db2.gz BIVMWZCHOOGPTN-UHFFFAOYSA-N 1 2 348.512 3.787 20 0 EHADLO CCOc1cc(F)cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000865493704 1137288598 /nfs/dbraw/zinc/28/85/98/1137288598.db2.gz ODMQYWOFGPFSRA-CQSZACIVSA-N 1 2 340.402 3.656 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001144420620 1137290822 /nfs/dbraw/zinc/29/08/22/1137290822.db2.gz GYNULHPPJZQLCD-MRXNPFEDSA-N 1 2 337.467 3.649 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865555227 1137294692 /nfs/dbraw/zinc/29/46/92/1137294692.db2.gz VGXDQGLCESMDDP-HNNXBMFYSA-N 1 2 348.244 3.594 20 0 EHADLO C[C@H](CC(=O)OCCc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845477968 1137295768 /nfs/dbraw/zinc/29/57/68/1137295768.db2.gz VTDAEQILTJTBPR-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCCc2cc(F)ccc21 ZINC000845483225 1137296045 /nfs/dbraw/zinc/29/60/45/1137296045.db2.gz KNBVYUMZRGHEJW-KRWDZBQOSA-N 1 2 328.387 3.522 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCCc2cc(F)ccc21 ZINC000845483227 1137296181 /nfs/dbraw/zinc/29/61/81/1137296181.db2.gz KNBVYUMZRGHEJW-QGZVFWFLSA-N 1 2 328.387 3.522 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC(C1CCCC1)C1CCCC1 ZINC000845556032 1137297813 /nfs/dbraw/zinc/29/78/13/1137297813.db2.gz IHLLFZNRTKCOAW-UHFFFAOYSA-N 1 2 329.488 3.627 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cc(Cl)sc1Cl ZINC000845593550 1137300668 /nfs/dbraw/zinc/30/06/68/1137300668.db2.gz PRRSMALFJLSAMS-UHFFFAOYSA-N 1 2 345.251 3.874 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCc1nc(C)c(C)s1)c1ccccc1 ZINC000845710310 1137305831 /nfs/dbraw/zinc/30/58/31/1137305831.db2.gz WYEMFUPKWSYHHI-KRWDZBQOSA-N 1 2 332.469 3.539 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCc1nc(C)c(C)s1)c1ccccc1 ZINC000845710310 1137305832 /nfs/dbraw/zinc/30/58/32/1137305832.db2.gz WYEMFUPKWSYHHI-KRWDZBQOSA-N 1 2 332.469 3.539 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+](Cc2cccs2)C2CC2)C1 ZINC000120705981 1137305990 /nfs/dbraw/zinc/30/59/90/1137305990.db2.gz UKGDECUKIJCQOS-INIZCTEOSA-N 1 2 340.492 3.995 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+](Cc2cccs2)C2CC2)C1 ZINC000120705981 1137305992 /nfs/dbraw/zinc/30/59/92/1137305992.db2.gz UKGDECUKIJCQOS-INIZCTEOSA-N 1 2 340.492 3.995 20 0 EHADLO Cc1nc(N2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000845748645 1137308331 /nfs/dbraw/zinc/30/83/31/1137308331.db2.gz KPFFQFYINPSYHT-UHFFFAOYSA-N 1 2 348.491 3.533 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865786557 1137311624 /nfs/dbraw/zinc/31/16/24/1137311624.db2.gz FOSBWGSRTPPENB-UHFFFAOYSA-N 1 2 347.768 3.666 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(F)cc1Br ZINC001144583645 1137312795 /nfs/dbraw/zinc/31/27/95/1137312795.db2.gz JFKSTMPDGFEHAI-WBMJQRKESA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(F)cc1Br ZINC001144583645 1137312797 /nfs/dbraw/zinc/31/27/97/1137312797.db2.gz JFKSTMPDGFEHAI-WBMJQRKESA-N 1 2 342.252 3.898 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(Br)cn2)s1 ZINC000865810618 1137313847 /nfs/dbraw/zinc/31/38/47/1137313847.db2.gz HEDKBQNDNXTDBC-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2CCc3ccccc3[C@H]2C)n1 ZINC001144591761 1137313898 /nfs/dbraw/zinc/31/38/98/1137313898.db2.gz JGPGHORWIZDYSM-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2CCc3ccccc3[C@H]2C)n1 ZINC001144591761 1137313900 /nfs/dbraw/zinc/31/39/00/1137313900.db2.gz JGPGHORWIZDYSM-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO C[C@@]12CCN(c3cc(NCc4ccccc4)[nH+]cn3)C[C@@H]1C2(F)F ZINC000865823553 1137314635 /nfs/dbraw/zinc/31/46/35/1137314635.db2.gz FXDJTGIBUSODHG-WMLDXEAASA-N 1 2 330.382 3.570 20 0 EHADLO C[C@@]12CCN(c3cc(NCc4ccccc4)nc[nH+]3)C[C@@H]1C2(F)F ZINC000865823553 1137314637 /nfs/dbraw/zinc/31/46/37/1137314637.db2.gz FXDJTGIBUSODHG-WMLDXEAASA-N 1 2 330.382 3.570 20 0 EHADLO O=c1[nH]c2c(cc1C[NH2+]Cc1coc(-c3ccccc3)n1)CCCC2 ZINC000865879632 1137318333 /nfs/dbraw/zinc/31/83/33/1137318333.db2.gz PMKGLVBKTOXECV-UHFFFAOYSA-N 1 2 335.407 3.611 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000846053318 1137330591 /nfs/dbraw/zinc/33/05/91/1137330591.db2.gz USBZBGGGHINDIK-AWEZNQCLSA-N 1 2 333.359 3.597 20 0 EHADLO C[C@H](Nc1[nH+]ccc2cc(C(F)(F)F)ccc21)c1nnnn1C1CC1 ZINC000866154374 1137332232 /nfs/dbraw/zinc/33/22/32/1137332232.db2.gz KBBILCLFEOWKLD-VIFPVBQESA-N 1 2 348.332 3.748 20 0 EHADLO Cc1nc(N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc[nH+]1 ZINC000866241115 1137338213 /nfs/dbraw/zinc/33/82/13/1137338213.db2.gz WDCPVZYPFYKZCC-LJQANCHMSA-N 1 2 348.491 3.552 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1cccc(-n2ccnc2)c1 ZINC000866274959 1137341811 /nfs/dbraw/zinc/34/18/11/1137341811.db2.gz BRXXHZPZAOTVJL-ADLFWFRXSA-N 1 2 337.398 3.995 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Cl)C[C@H](c2ccsc2)O1 ZINC000121017636 1137347248 /nfs/dbraw/zinc/34/72/48/1137347248.db2.gz JTAVLFDARLNZDW-OAUYIBNBSA-N 1 2 337.872 3.897 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2Cl)C[C@H](c2ccsc2)O1 ZINC000121017636 1137347250 /nfs/dbraw/zinc/34/72/50/1137347250.db2.gz JTAVLFDARLNZDW-OAUYIBNBSA-N 1 2 337.872 3.897 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1Oc1ccc(C)cc1 ZINC001144796946 1137349117 /nfs/dbraw/zinc/34/91/17/1137349117.db2.gz JQCPVIGZWOBAGM-UHFFFAOYSA-N 1 2 335.407 3.678 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000846480564 1137353285 /nfs/dbraw/zinc/35/32/85/1137353285.db2.gz CCXGMFCOCYIHRI-MRXNPFEDSA-N 1 2 340.471 3.711 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421829 1137353462 /nfs/dbraw/zinc/35/34/62/1137353462.db2.gz ZVBMDKJFTNUGFD-UHFFFAOYSA-N 1 2 334.423 3.788 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421829 1137353463 /nfs/dbraw/zinc/35/34/63/1137353463.db2.gz ZVBMDKJFTNUGFD-UHFFFAOYSA-N 1 2 334.423 3.788 20 0 EHADLO COC1CCC(CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000846653191 1137360686 /nfs/dbraw/zinc/36/06/86/1137360686.db2.gz BGMUMCVBDIUHKY-GFHJVICUSA-N 1 2 345.487 3.516 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc2n(n1)CCCC2 ZINC000866540605 1137363134 /nfs/dbraw/zinc/36/31/34/1137363134.db2.gz AJHUXZRHWOAHIF-NSHDSACASA-N 1 2 339.361 3.811 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)NCc1c[nH+]cn1C1CCC1 ZINC001144930858 1137363551 /nfs/dbraw/zinc/36/35/51/1137363551.db2.gz IIKFXPIAKFNIBS-UHFFFAOYSA-N 1 2 327.472 3.831 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cncs1 ZINC000866560222 1137364607 /nfs/dbraw/zinc/36/46/07/1137364607.db2.gz QFJWVCTWJDYVBE-VIFPVBQESA-N 1 2 330.379 3.546 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000866581208 1137366671 /nfs/dbraw/zinc/36/66/71/1137366671.db2.gz CSCHPVJFQJJQFF-JLTOFOAXSA-N 1 2 348.450 3.965 20 0 EHADLO BrC1(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000846818612 1137369190 /nfs/dbraw/zinc/36/91/90/1137369190.db2.gz VZIJXOLDIHCRIW-INIZCTEOSA-N 1 2 331.257 3.821 20 0 EHADLO BrC1(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000846818612 1137369192 /nfs/dbraw/zinc/36/91/92/1137369192.db2.gz VZIJXOLDIHCRIW-INIZCTEOSA-N 1 2 331.257 3.821 20 0 EHADLO C/C(=C\c1ccco1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000846862507 1137370095 /nfs/dbraw/zinc/37/00/95/1137370095.db2.gz CUBFLYUDLQTSIW-DTQAZKPQSA-N 1 2 339.439 3.775 20 0 EHADLO COc1ccccc1[C@H](C)N(OC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001146562121 1137391948 /nfs/dbraw/zinc/39/19/48/1137391948.db2.gz AEARVIOLKRGQRE-DOTOQJQBSA-N 1 2 345.443 3.630 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC001146869891 1137395756 /nfs/dbraw/zinc/39/57/56/1137395756.db2.gz WRGOYZRRTMFREC-UHFFFAOYSA-N 1 2 336.326 3.538 20 0 EHADLO CC[C@@](C)(NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC001146926538 1137397309 /nfs/dbraw/zinc/39/73/09/1137397309.db2.gz MSPOKXIKALIKOM-JOCHJYFZSA-N 1 2 347.462 3.916 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC000868412738 1137409060 /nfs/dbraw/zinc/40/90/60/1137409060.db2.gz GKEWPSWGGMASLM-ROUUACIJSA-N 1 2 325.456 3.646 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCC(F)(F)[C@H](F)C1)CC2 ZINC001171314773 1137413587 /nfs/dbraw/zinc/41/35/87/1137413587.db2.gz GCFZTPIZWACOAE-ZUZCIYMTSA-N 1 2 333.781 3.885 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC(F)(F)[C@H](F)C1)CC2 ZINC001171314773 1137413588 /nfs/dbraw/zinc/41/35/88/1137413588.db2.gz GCFZTPIZWACOAE-ZUZCIYMTSA-N 1 2 333.781 3.885 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)n1cc[nH+]c1 ZINC000044867011 1137422936 /nfs/dbraw/zinc/42/29/36/1137422936.db2.gz QYRDQSZPCLJCPB-DTWKUNHWSA-N 1 2 330.190 3.767 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](Cc2cccnc2)C2CCCC2)c[nH+]1 ZINC000868792633 1137423968 /nfs/dbraw/zinc/42/39/68/1137423968.db2.gz QXHWOTCYDPTPAQ-FQEVSTJZSA-N 1 2 337.467 3.759 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(-n2cccc2)cc1 ZINC001148693088 1137430901 /nfs/dbraw/zinc/43/09/01/1137430901.db2.gz BDOYNLAAKYFZRP-UHFFFAOYSA-N 1 2 342.402 3.974 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1F ZINC001148722566 1137432091 /nfs/dbraw/zinc/43/20/91/1137432091.db2.gz DKULTBSEXABQTL-INIZCTEOSA-N 1 2 348.368 3.541 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1F ZINC001148722566 1137432092 /nfs/dbraw/zinc/43/20/92/1137432092.db2.gz DKULTBSEXABQTL-INIZCTEOSA-N 1 2 348.368 3.541 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000869104214 1137436842 /nfs/dbraw/zinc/43/68/42/1137436842.db2.gz CTJCMBNSVYZKRJ-MSOLQXFVSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000869104214 1137436843 /nfs/dbraw/zinc/43/68/43/1137436843.db2.gz CTJCMBNSVYZKRJ-MSOLQXFVSA-N 1 2 341.480 3.781 20 0 EHADLO Cn1c[nH+]c2ccc(NCc3ccccc3OC3CCOCC3)cc21 ZINC001171384175 1137465515 /nfs/dbraw/zinc/46/55/15/1137465515.db2.gz SEKLZAHZARXMHA-UHFFFAOYSA-N 1 2 337.423 3.743 20 0 EHADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253752 1137481508 /nfs/dbraw/zinc/48/15/08/1137481508.db2.gz YYRBUVXFWQNUBS-IRXDYDNUSA-N 1 2 345.874 3.573 20 0 EHADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253752 1137481509 /nfs/dbraw/zinc/48/15/09/1137481509.db2.gz YYRBUVXFWQNUBS-IRXDYDNUSA-N 1 2 345.874 3.573 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513075 1137495513 /nfs/dbraw/zinc/49/55/13/1137495513.db2.gz SZYDHDORDLRODT-NSHDSACASA-N 1 2 343.389 3.671 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cs1 ZINC001171676807 1137503617 /nfs/dbraw/zinc/50/36/17/1137503617.db2.gz AURHXWCUMRMHKF-KZNAEPCWSA-N 1 2 344.480 3.784 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cs1 ZINC001171676807 1137503619 /nfs/dbraw/zinc/50/36/19/1137503619.db2.gz AURHXWCUMRMHKF-KZNAEPCWSA-N 1 2 344.480 3.784 20 0 EHADLO COC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959649 1137519361 /nfs/dbraw/zinc/51/93/61/1137519361.db2.gz DDVCKMRZVWLLLQ-RISCZKNCSA-N 1 2 349.418 3.521 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H]1c1ccccc1 ZINC000888578713 1137544578 /nfs/dbraw/zinc/54/45/78/1137544578.db2.gz WJTIXKVHCKARDN-HNAYVOBHSA-N 1 2 334.423 3.627 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)c1ccc(C)cc1 ZINC000871933746 1137563275 /nfs/dbraw/zinc/56/32/75/1137563275.db2.gz XOIWNXLMEQKCSH-ZDUSSCGKSA-N 1 2 337.876 3.636 20 0 EHADLO CCOC(C[N@H+](C)[C@@H](C)c1ccccc1Br)OCC ZINC000123972480 1137575489 /nfs/dbraw/zinc/57/54/89/1137575489.db2.gz ZAXQZXNPZPDWJF-LBPRGKRZSA-N 1 2 330.266 3.841 20 0 EHADLO CCOC(C[N@@H+](C)[C@@H](C)c1ccccc1Br)OCC ZINC000123972480 1137575490 /nfs/dbraw/zinc/57/54/90/1137575490.db2.gz ZAXQZXNPZPDWJF-LBPRGKRZSA-N 1 2 330.266 3.841 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2ccccc2F)ccc1=O)C(C)(C)C ZINC000872818115 1137584963 /nfs/dbraw/zinc/58/49/63/1137584963.db2.gz GRVGVXVEYPJMJQ-AWEZNQCLSA-N 1 2 331.435 3.621 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2ccccc2F)ccc1=O)C(C)(C)C ZINC000872818115 1137584964 /nfs/dbraw/zinc/58/49/64/1137584964.db2.gz GRVGVXVEYPJMJQ-AWEZNQCLSA-N 1 2 331.435 3.621 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000873187261 1137593327 /nfs/dbraw/zinc/59/33/27/1137593327.db2.gz PELXMKJKGSSAKS-CQSZACIVSA-N 1 2 341.846 3.534 20 0 EHADLO O=C(c1sccc1C(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000873723982 1137606324 /nfs/dbraw/zinc/60/63/24/1137606324.db2.gz IAWGQDGKSUVIDK-UHFFFAOYSA-N 1 2 336.407 3.644 20 0 EHADLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2cnn(C(C)C)c2)cc1 ZINC001137079661 1137613765 /nfs/dbraw/zinc/61/37/65/1137613765.db2.gz YWFJWHNZXQDPIW-GOSISDBHSA-N 1 2 331.485 3.763 20 0 EHADLO COc1ccc([C@H]2CSCC[N@H+]2Cc2cnn(C(C)C)c2)cc1 ZINC001137079661 1137613766 /nfs/dbraw/zinc/61/37/66/1137613766.db2.gz YWFJWHNZXQDPIW-GOSISDBHSA-N 1 2 331.485 3.763 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1ccccn1 ZINC000125380635 1137632164 /nfs/dbraw/zinc/63/21/64/1137632164.db2.gz CLFZZWXUIKYXNW-UHFFFAOYSA-N 1 2 325.456 3.840 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1ccccn1 ZINC000125380635 1137632165 /nfs/dbraw/zinc/63/21/65/1137632165.db2.gz CLFZZWXUIKYXNW-UHFFFAOYSA-N 1 2 325.456 3.840 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)n1 ZINC000876575425 1137656006 /nfs/dbraw/zinc/65/60/06/1137656006.db2.gz DUOKIJCTYMKYSD-UHFFFAOYSA-N 1 2 348.859 3.568 20 0 EHADLO CO[C@@H](CNc1ccc([NH+]2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876822506 1137662763 /nfs/dbraw/zinc/66/27/63/1137662763.db2.gz ZMFQCWKLZZBSRE-FQEVSTJZSA-N 1 2 332.488 3.655 20 0 EHADLO Clc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nn1 ZINC000876847260 1137663611 /nfs/dbraw/zinc/66/36/11/1137663611.db2.gz JQEOREYZDLKGHV-UHFFFAOYSA-N 1 2 339.830 3.942 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)o1 ZINC000126237862 1137664989 /nfs/dbraw/zinc/66/49/89/1137664989.db2.gz LIIBBWSMQDZHPE-SJORKVTESA-N 1 2 335.831 3.602 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2)o1 ZINC000126237862 1137664990 /nfs/dbraw/zinc/66/49/90/1137664990.db2.gz LIIBBWSMQDZHPE-SJORKVTESA-N 1 2 335.831 3.602 20 0 EHADLO CC1CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cn2)CC1 ZINC000876939349 1137665935 /nfs/dbraw/zinc/66/59/35/1137665935.db2.gz HARUWDGZCQNYSS-UHFFFAOYSA-N 1 2 336.892 3.718 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1N1CCCC1 ZINC000877455515 1137676878 /nfs/dbraw/zinc/67/68/78/1137676878.db2.gz LEALWGJWMQFSJY-SFHVURJKSA-N 1 2 345.393 3.512 20 0 EHADLO CCN(CC)C(=O)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877479999 1137677782 /nfs/dbraw/zinc/67/77/82/1137677782.db2.gz ZMWNJSOLOGTTRD-UHFFFAOYSA-N 1 2 341.455 3.801 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000877653132 1137684354 /nfs/dbraw/zinc/68/43/54/1137684354.db2.gz ZOXSAGQHSYIYCG-ZJUUUORDSA-N 1 2 347.709 3.967 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000877653132 1137684355 /nfs/dbraw/zinc/68/43/55/1137684355.db2.gz ZOXSAGQHSYIYCG-ZJUUUORDSA-N 1 2 347.709 3.967 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000877699276 1137686287 /nfs/dbraw/zinc/68/62/87/1137686287.db2.gz DXZLUDLRGQKMEV-UHFFFAOYSA-N 1 2 348.830 3.610 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737377 1137687352 /nfs/dbraw/zinc/68/73/52/1137687352.db2.gz HZQXMJJTTSQXAU-NXEZZACHSA-N 1 2 347.709 3.682 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737377 1137687353 /nfs/dbraw/zinc/68/73/53/1137687353.db2.gz HZQXMJJTTSQXAU-NXEZZACHSA-N 1 2 347.709 3.682 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2nc3ccccc3nc2C)CCO1 ZINC000877756062 1137688056 /nfs/dbraw/zinc/68/80/56/1137688056.db2.gz OZNFUGLDCDPGGQ-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2nc3ccccc3nc2C)CCO1 ZINC000877756062 1137688057 /nfs/dbraw/zinc/68/80/57/1137688057.db2.gz OZNFUGLDCDPGGQ-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000877775480 1137689286 /nfs/dbraw/zinc/68/92/86/1137689286.db2.gz YZUWYBZBASPTIA-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000877775480 1137689287 /nfs/dbraw/zinc/68/92/87/1137689287.db2.gz YZUWYBZBASPTIA-UHFFFAOYSA-N 1 2 348.434 3.847 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000877775451 1137689396 /nfs/dbraw/zinc/68/93/96/1137689396.db2.gz VYHKZSOTFDGPRS-KNQAVFIVSA-N 1 2 349.478 3.571 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000877918868 1137695588 /nfs/dbraw/zinc/69/55/88/1137695588.db2.gz XAEWFWDWSUZZNC-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000877918868 1137695589 /nfs/dbraw/zinc/69/55/89/1137695589.db2.gz XAEWFWDWSUZZNC-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Clc1ccc2ccc(C[NH+]3CCN(c4nccs4)CC3)nc2c1 ZINC000877929126 1137695935 /nfs/dbraw/zinc/69/59/35/1137695935.db2.gz TZCZXOCUANXBJF-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000877975629 1137697942 /nfs/dbraw/zinc/69/79/42/1137697942.db2.gz BATKMLPJHCJJMG-UONOGXRCSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000877975629 1137697943 /nfs/dbraw/zinc/69/79/43/1137697943.db2.gz BATKMLPJHCJJMG-UONOGXRCSA-N 1 2 346.862 3.578 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1F ZINC000878174491 1137705786 /nfs/dbraw/zinc/70/57/86/1137705786.db2.gz PYEMCFADCRUZDF-XJKSGUPXSA-N 1 2 333.428 3.658 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1F ZINC000878174491 1137705787 /nfs/dbraw/zinc/70/57/87/1137705787.db2.gz PYEMCFADCRUZDF-XJKSGUPXSA-N 1 2 333.428 3.658 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000878197100 1137706749 /nfs/dbraw/zinc/70/67/49/1137706749.db2.gz DZMOSUUAHARWJX-LLVKDONJSA-N 1 2 330.806 3.953 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncccc2Br)n1 ZINC000878199258 1137706899 /nfs/dbraw/zinc/70/68/99/1137706899.db2.gz VYPNRUTZXRRLLC-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncccc2Br)n1 ZINC000878199258 1137706900 /nfs/dbraw/zinc/70/69/00/1137706900.db2.gz VYPNRUTZXRRLLC-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2)c1cccs1 ZINC000878267389 1137709063 /nfs/dbraw/zinc/70/90/63/1137709063.db2.gz WEVDXBHOBOGOCW-ZDUSSCGKSA-N 1 2 330.453 3.852 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2)c1cccs1 ZINC000878267389 1137709064 /nfs/dbraw/zinc/70/90/64/1137709064.db2.gz WEVDXBHOBOGOCW-ZDUSSCGKSA-N 1 2 330.453 3.852 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3nc4c(o3)CCCC4)CC2)cn1 ZINC000878343049 1137711571 /nfs/dbraw/zinc/71/15/71/1137711571.db2.gz ORFBNLFVISNRRW-UHFFFAOYSA-N 1 2 329.831 3.891 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3nc4c(o3)CCCC4)CC2)cn1 ZINC000878343049 1137711572 /nfs/dbraw/zinc/71/15/72/1137711572.db2.gz ORFBNLFVISNRRW-UHFFFAOYSA-N 1 2 329.831 3.891 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)cc1 ZINC000878347611 1137711882 /nfs/dbraw/zinc/71/18/82/1137711882.db2.gz OPAPWLSIKXUKNA-CYBMUJFWSA-N 1 2 339.395 3.692 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)c2C1 ZINC000878373465 1137713362 /nfs/dbraw/zinc/71/33/62/1137713362.db2.gz TVWUIJSXYBHBRR-UHFFFAOYSA-N 1 2 340.423 3.697 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000878397539 1137714157 /nfs/dbraw/zinc/71/41/57/1137714157.db2.gz VDVIGMRFDQQQLC-DVOMOZLQSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000878397539 1137714158 /nfs/dbraw/zinc/71/41/58/1137714158.db2.gz VDVIGMRFDQQQLC-DVOMOZLQSA-N 1 2 329.362 3.504 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncccc2Br)C1 ZINC000878428883 1137715609 /nfs/dbraw/zinc/71/56/09/1137715609.db2.gz TZWVUVGUBIPHKT-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncccc2Br)C1 ZINC000878428883 1137715610 /nfs/dbraw/zinc/71/56/10/1137715610.db2.gz TZWVUVGUBIPHKT-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)nc1Cl ZINC000878559960 1137720151 /nfs/dbraw/zinc/72/01/51/1137720151.db2.gz AVHOZQHOFLQCHV-OAHLLOKOSA-N 1 2 345.874 3.695 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)nc1Cl ZINC000878559960 1137720152 /nfs/dbraw/zinc/72/01/52/1137720152.db2.gz AVHOZQHOFLQCHV-OAHLLOKOSA-N 1 2 345.874 3.695 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878814079 1137729069 /nfs/dbraw/zinc/72/90/69/1137729069.db2.gz WSPNSDDNPALEGA-OCCSQVGLSA-N 1 2 349.299 3.651 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878814079 1137729070 /nfs/dbraw/zinc/72/90/70/1137729070.db2.gz WSPNSDDNPALEGA-OCCSQVGLSA-N 1 2 349.299 3.651 20 0 EHADLO FC1(F)CC(C[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)C1 ZINC000878862306 1137730386 /nfs/dbraw/zinc/73/03/86/1137730386.db2.gz GAWZAOWMZBWPBL-UHFFFAOYSA-N 1 2 332.398 3.696 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC12CCC2 ZINC000879033021 1137736027 /nfs/dbraw/zinc/73/60/27/1137736027.db2.gz HMTBJIYTCUCVOQ-KRWDZBQOSA-N 1 2 334.423 3.666 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000879172038 1137739977 /nfs/dbraw/zinc/73/99/77/1137739977.db2.gz QLNJDTYGQADGIX-HNNXBMFYSA-N 1 2 325.399 3.574 20 0 EHADLO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000879452616 1137748067 /nfs/dbraw/zinc/74/80/67/1137748067.db2.gz SRXIQZGYEJGZFW-GOSISDBHSA-N 1 2 333.382 3.822 20 0 EHADLO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000879452616 1137748068 /nfs/dbraw/zinc/74/80/68/1137748068.db2.gz SRXIQZGYEJGZFW-GOSISDBHSA-N 1 2 333.382 3.822 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)cc1F ZINC000626124339 1137750316 /nfs/dbraw/zinc/75/03/16/1137750316.db2.gz LJXCYXQREMEZJC-CYBMUJFWSA-N 1 2 333.407 3.504 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)cc1F ZINC000626124339 1137750317 /nfs/dbraw/zinc/75/03/17/1137750317.db2.gz LJXCYXQREMEZJC-CYBMUJFWSA-N 1 2 333.407 3.504 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(C(C)(C)O)CC3)nc(=O)c2c1C ZINC000879626889 1137752622 /nfs/dbraw/zinc/75/26/22/1137752622.db2.gz QZNIERUVHZKUFZ-LLVKDONJSA-N 1 2 349.500 3.558 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3ncc(Cl)s3)C2)cc1F ZINC000626126435 1137753521 /nfs/dbraw/zinc/75/35/21/1137753521.db2.gz OCLVGUKNDJFAKD-LLVKDONJSA-N 1 2 326.824 3.934 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3ncc(Cl)s3)C2)cc1F ZINC000626126435 1137753522 /nfs/dbraw/zinc/75/35/22/1137753522.db2.gz OCLVGUKNDJFAKD-LLVKDONJSA-N 1 2 326.824 3.934 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000879748275 1137757690 /nfs/dbraw/zinc/75/76/90/1137757690.db2.gz HDUGTHULFDEXHV-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000879748275 1137757691 /nfs/dbraw/zinc/75/76/91/1137757691.db2.gz HDUGTHULFDEXHV-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880006997 1137764843 /nfs/dbraw/zinc/76/48/43/1137764843.db2.gz BDFAELXMCOOXPV-NEPJUHHUSA-N 1 2 338.502 3.638 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880006997 1137764844 /nfs/dbraw/zinc/76/48/44/1137764844.db2.gz BDFAELXMCOOXPV-NEPJUHHUSA-N 1 2 338.502 3.638 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H](C(F)(F)F)O1 ZINC000880055714 1137766795 /nfs/dbraw/zinc/76/67/95/1137766795.db2.gz DPJCHUIXRSAQKK-GWCFXTLKSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@@H](C(F)(F)F)O1 ZINC000880055714 1137766796 /nfs/dbraw/zinc/76/67/96/1137766796.db2.gz DPJCHUIXRSAQKK-GWCFXTLKSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000880065198 1137767056 /nfs/dbraw/zinc/76/70/56/1137767056.db2.gz RNNULEOUQWCGLC-ONGXEEELSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000880065198 1137767057 /nfs/dbraw/zinc/76/70/57/1137767057.db2.gz RNNULEOUQWCGLC-ONGXEEELSA-N 1 2 342.283 3.642 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1nccnc1C ZINC000880105364 1137768392 /nfs/dbraw/zinc/76/83/92/1137768392.db2.gz BKKQXZQDUJUSQW-ZDUSSCGKSA-N 1 2 339.395 3.559 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223991 1137771348 /nfs/dbraw/zinc/77/13/48/1137771348.db2.gz YHBATWKZYXHIOV-GLRZTSSQSA-N 1 2 340.448 3.851 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880301504 1137774021 /nfs/dbraw/zinc/77/40/21/1137774021.db2.gz SFYKAYCWJPWDER-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880301504 1137774022 /nfs/dbraw/zinc/77/40/22/1137774022.db2.gz SFYKAYCWJPWDER-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880317870 1137774984 /nfs/dbraw/zinc/77/49/84/1137774984.db2.gz STJLVJHQRVTXQI-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880317870 1137774985 /nfs/dbraw/zinc/77/49/85/1137774985.db2.gz STJLVJHQRVTXQI-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC2(CCCCO2)CC1 ZINC000880455928 1137778839 /nfs/dbraw/zinc/77/88/39/1137778839.db2.gz FCYUPBFPTGPXFG-UHFFFAOYSA-N 1 2 336.863 3.622 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccco2)n1)[C@H](CO)c1ccccc1 ZINC000880459024 1137779151 /nfs/dbraw/zinc/77/91/51/1137779151.db2.gz AQDDLMIFQSGWQJ-MRXNPFEDSA-N 1 2 328.437 3.959 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@H](CO)c1ccccc1 ZINC000880459024 1137779152 /nfs/dbraw/zinc/77/91/52/1137779152.db2.gz AQDDLMIFQSGWQJ-MRXNPFEDSA-N 1 2 328.437 3.959 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000129008936 1137807546 /nfs/dbraw/zinc/80/75/46/1137807546.db2.gz LVJKLPNWLXCINT-FQEVSTJZSA-N 1 2 349.409 3.844 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000129008936 1137807547 /nfs/dbraw/zinc/80/75/47/1137807547.db2.gz LVJKLPNWLXCINT-FQEVSTJZSA-N 1 2 349.409 3.844 20 0 EHADLO CC(C)(C)c1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)n[nH]1 ZINC001212787763 1137816877 /nfs/dbraw/zinc/81/68/77/1137816877.db2.gz BWZYHLIBCUPEHK-UHFFFAOYSA-N 1 2 334.383 3.610 20 0 EHADLO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887948 1137821124 /nfs/dbraw/zinc/82/11/24/1137821124.db2.gz DPJWEMWTPJGVMW-ACJLOTCBSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887948 1137821125 /nfs/dbraw/zinc/82/11/25/1137821125.db2.gz DPJWEMWTPJGVMW-ACJLOTCBSA-N 1 2 343.389 3.512 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000882221384 1137824017 /nfs/dbraw/zinc/82/40/17/1137824017.db2.gz VZZBJDPDOLNSRZ-NSHDSACASA-N 1 2 339.361 3.659 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000882221384 1137824018 /nfs/dbraw/zinc/82/40/18/1137824018.db2.gz VZZBJDPDOLNSRZ-NSHDSACASA-N 1 2 339.361 3.659 20 0 EHADLO C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882870519 1137836165 /nfs/dbraw/zinc/83/61/65/1137836165.db2.gz KTNHKDZCEXLMCQ-TUNNFDKTSA-N 1 2 345.446 3.718 20 0 EHADLO CC(C)Cc1nsc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883003596 1137841360 /nfs/dbraw/zinc/84/13/60/1137841360.db2.gz WPIWOLAMSMKMPW-OAHLLOKOSA-N 1 2 327.457 3.787 20 0 EHADLO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CCCc3[nH]ncc31)CCCC2 ZINC000883348101 1137856757 /nfs/dbraw/zinc/85/67/57/1137856757.db2.gz HPZWZDZUXHWRGV-DLBZAZTESA-N 1 2 341.455 3.862 20 0 EHADLO OCCCCOc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883381285 1137858195 /nfs/dbraw/zinc/85/81/95/1137858195.db2.gz KHLCGLWLZHBTIR-TZIWHRDSSA-N 1 2 343.442 3.953 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883384017 1137858623 /nfs/dbraw/zinc/85/86/23/1137858623.db2.gz KJWHKVXJHYEHHL-JXFKEZNVSA-N 1 2 345.414 3.828 20 0 EHADLO O=C(NC[C@H]1CCCC12CC2)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883798903 1137870666 /nfs/dbraw/zinc/87/06/66/1137870666.db2.gz TZZWVJZKODNGNN-MSOLQXFVSA-N 1 2 338.455 3.504 20 0 EHADLO CO[C@]1(C)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000348235809 1137870817 /nfs/dbraw/zinc/87/08/17/1137870817.db2.gz UFKIUVYABPNQKR-OAHLLOKOSA-N 1 2 328.243 3.642 20 0 EHADLO CO[C@]1(C)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000348235809 1137870818 /nfs/dbraw/zinc/87/08/18/1137870818.db2.gz UFKIUVYABPNQKR-OAHLLOKOSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348247243 1137876315 /nfs/dbraw/zinc/87/63/15/1137876315.db2.gz NSZGGBDKVZPSTB-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348247243 1137876316 /nfs/dbraw/zinc/87/63/16/1137876316.db2.gz NSZGGBDKVZPSTB-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000348253181 1137881173 /nfs/dbraw/zinc/88/11/73/1137881173.db2.gz HNWNPYINCABBPV-AWEZNQCLSA-N 1 2 327.453 3.768 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncnc3c4ccccc4oc31)C2 ZINC000106369298 1137883361 /nfs/dbraw/zinc/88/33/61/1137883361.db2.gz QPDIDMOAXCJRQY-UHFFFAOYSA-N 1 2 347.422 3.796 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000106936548 1137884947 /nfs/dbraw/zinc/88/49/47/1137884947.db2.gz BIGVHDCMXVWLSU-CQSZACIVSA-N 1 2 331.485 3.806 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000106936548 1137884948 /nfs/dbraw/zinc/88/49/48/1137884948.db2.gz BIGVHDCMXVWLSU-CQSZACIVSA-N 1 2 331.485 3.806 20 0 EHADLO c1c2ccccc2[nH]c1[C@@H]1CCCC[N@H+]1Cc1cn2cccnc2n1 ZINC000108385888 1137889449 /nfs/dbraw/zinc/88/94/49/1137889449.db2.gz KLGKQDXQYLMFJA-IBGZPJMESA-N 1 2 331.423 3.938 20 0 EHADLO c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000108385888 1137889450 /nfs/dbraw/zinc/88/94/50/1137889450.db2.gz KLGKQDXQYLMFJA-IBGZPJMESA-N 1 2 331.423 3.938 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272720 1137891733 /nfs/dbraw/zinc/89/17/33/1137891733.db2.gz ZFMVWBDSYCFYHB-CJNGLKHVSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272720 1137891734 /nfs/dbraw/zinc/89/17/34/1137891734.db2.gz ZFMVWBDSYCFYHB-CJNGLKHVSA-N 1 2 347.459 3.514 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)o2)n(C(C)(C)C)n1 ZINC000331388840 1137892679 /nfs/dbraw/zinc/89/26/79/1137892679.db2.gz IXCASHZSGFIMCN-OAHLLOKOSA-N 1 2 344.459 3.624 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)o2)n(C(C)(C)C)n1 ZINC000331388840 1137892680 /nfs/dbraw/zinc/89/26/80/1137892680.db2.gz IXCASHZSGFIMCN-OAHLLOKOSA-N 1 2 344.459 3.624 20 0 EHADLO COc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)c(C)c1OC ZINC000348283221 1137893729 /nfs/dbraw/zinc/89/37/29/1137893729.db2.gz WIOYXBJJOOKUKT-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)c(C)c1OC ZINC000348283221 1137893730 /nfs/dbraw/zinc/89/37/30/1137893730.db2.gz WIOYXBJJOOKUKT-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO Cc1sc2ncnc(SCC(=O)Nc3cc[nH+]c(C)c3)c2c1C ZINC000010162994 1137902810 /nfs/dbraw/zinc/90/28/10/1137902810.db2.gz GIWYERONPIGDDX-UHFFFAOYSA-N 1 2 344.465 3.742 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cs1 ZINC000111376510 1137904331 /nfs/dbraw/zinc/90/43/31/1137904331.db2.gz KKXUILPPMTXKFE-YPMHNXCESA-N 1 2 349.887 3.815 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)no1 ZINC000114472574 1137917493 /nfs/dbraw/zinc/91/74/93/1137917493.db2.gz CZTRTBLKVMCKMZ-OAHLLOKOSA-N 1 2 339.443 3.688 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)no1 ZINC000114472574 1137917494 /nfs/dbraw/zinc/91/74/94/1137917494.db2.gz CZTRTBLKVMCKMZ-OAHLLOKOSA-N 1 2 339.443 3.688 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000114779998 1137918956 /nfs/dbraw/zinc/91/89/56/1137918956.db2.gz QRLINIPFSIZUQF-CQSZACIVSA-N 1 2 344.846 3.646 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776373 1137920098 /nfs/dbraw/zinc/92/00/98/1137920098.db2.gz GQFXDTAUDJOGSO-QWHCGFSZSA-N 1 2 333.436 3.640 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776373 1137920099 /nfs/dbraw/zinc/92/00/99/1137920099.db2.gz GQFXDTAUDJOGSO-QWHCGFSZSA-N 1 2 333.436 3.640 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000348303899 1137923570 /nfs/dbraw/zinc/92/35/70/1137923570.db2.gz GIFNPBAZBHRRHR-UHFFFAOYSA-N 1 2 348.434 3.640 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000348303899 1137923571 /nfs/dbraw/zinc/92/35/71/1137923571.db2.gz GIFNPBAZBHRRHR-UHFFFAOYSA-N 1 2 348.434 3.640 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000115985315 1137924157 /nfs/dbraw/zinc/92/41/57/1137924157.db2.gz VUJLQCPQTAPRRC-KRWDZBQOSA-N 1 2 337.467 3.800 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000332224758 1137936471 /nfs/dbraw/zinc/93/64/71/1137936471.db2.gz WWPNJSMSWZSLLF-WBMJQRKESA-N 1 2 348.397 3.728 20 0 EHADLO C[N@H+](Cc1cncs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119057395 1137937709 /nfs/dbraw/zinc/93/77/09/1137937709.db2.gz VSBMAMSRFOGIQX-KBPBESRZSA-N 1 2 329.252 3.540 20 0 EHADLO C[N@@H+](Cc1cncs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119057395 1137937710 /nfs/dbraw/zinc/93/77/10/1137937710.db2.gz VSBMAMSRFOGIQX-KBPBESRZSA-N 1 2 329.252 3.540 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ncc(Br)cn1 ZINC000332289439 1137938633 /nfs/dbraw/zinc/93/86/33/1137938633.db2.gz DGLNDHUIDIYAKA-YGRLFVJLSA-N 1 2 348.244 3.673 20 0 EHADLO CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000015296060 1137938993 /nfs/dbraw/zinc/93/89/93/1137938993.db2.gz VIPOEKCTZVFDMA-UHFFFAOYSA-N 1 2 348.393 3.824 20 0 EHADLO CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000015296060 1137938994 /nfs/dbraw/zinc/93/89/94/1137938994.db2.gz VIPOEKCTZVFDMA-UHFFFAOYSA-N 1 2 348.393 3.824 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332363111 1137941522 /nfs/dbraw/zinc/94/15/22/1137941522.db2.gz VJNYDKZCMJBCDM-NXEZZACHSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332363111 1137941523 /nfs/dbraw/zinc/94/15/23/1137941523.db2.gz VJNYDKZCMJBCDM-NXEZZACHSA-N 1 2 325.771 3.508 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000332391179 1137942528 /nfs/dbraw/zinc/94/25/28/1137942528.db2.gz CXPSSRMUDPSGHC-KDOFPFPSSA-N 1 2 326.444 3.869 20 0 EHADLO CC1(C)CCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333019881 1137953064 /nfs/dbraw/zinc/95/30/64/1137953064.db2.gz IGVFNJGAXBHCHE-QGZVFWFLSA-N 1 2 344.503 3.687 20 0 EHADLO OC[C@@H](C[C@H]1CCCO1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000884616623 1137964538 /nfs/dbraw/zinc/96/45/38/1137964538.db2.gz ZQEXWERXUAGWLP-ZIAGYGMSSA-N 1 2 340.345 3.596 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1F ZINC000348353725 1138018245 /nfs/dbraw/zinc/01/82/45/1138018245.db2.gz IEPUMFWZPWIMAS-ZDUSSCGKSA-N 1 2 342.443 3.979 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885947029 1138027675 /nfs/dbraw/zinc/02/76/75/1138027675.db2.gz XWHCAQJPRKTQHU-HNNXBMFYSA-N 1 2 341.455 3.507 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885947029 1138027677 /nfs/dbraw/zinc/02/76/77/1138027677.db2.gz XWHCAQJPRKTQHU-HNNXBMFYSA-N 1 2 341.455 3.507 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)n1C(C)C ZINC000042636234 1138033575 /nfs/dbraw/zinc/03/35/75/1138033575.db2.gz UNGOJZCFEVJWJA-UHFFFAOYSA-N 1 2 340.471 3.611 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000886086371 1138038860 /nfs/dbraw/zinc/03/88/60/1138038860.db2.gz JCYBBWBMKOCNMF-UHFFFAOYSA-N 1 2 345.370 3.888 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000348361874 1138045068 /nfs/dbraw/zinc/04/50/68/1138045068.db2.gz AYVNJICEABDUAI-OAQYLSRUSA-N 1 2 345.446 3.629 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890265189 1138069774 /nfs/dbraw/zinc/06/97/74/1138069774.db2.gz NGACMDPBQPOBKJ-BHIYHBOVSA-N 1 2 340.471 3.845 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000886433318 1138076605 /nfs/dbraw/zinc/07/66/05/1138076605.db2.gz GNLMQGWDISCTCW-QGZVFWFLSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000886433318 1138076608 /nfs/dbraw/zinc/07/66/08/1138076608.db2.gz GNLMQGWDISCTCW-QGZVFWFLSA-N 1 2 328.437 3.877 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ncn(C)n1 ZINC000886596561 1138100690 /nfs/dbraw/zinc/10/06/90/1138100690.db2.gz IIHPWSPOCXITPR-QMTHXVAHSA-N 1 2 329.835 3.678 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)n1 ZINC000886619200 1138102976 /nfs/dbraw/zinc/10/29/76/1138102976.db2.gz WKEXVRNFDOAWTC-OAHLLOKOSA-N 1 2 332.810 3.861 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC[C@@H](C)c2ccccc2)c1C ZINC000138519414 1138103515 /nfs/dbraw/zinc/10/35/15/1138103515.db2.gz XIPRGDMJYDTQRQ-CQSZACIVSA-N 1 2 326.440 3.907 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)cs1 ZINC000886696438 1138117551 /nfs/dbraw/zinc/11/75/51/1138117551.db2.gz OMXAPRWTNWJYCZ-ZDUSSCGKSA-N 1 2 337.514 3.509 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)cs1 ZINC000886696438 1138117553 /nfs/dbraw/zinc/11/75/53/1138117553.db2.gz OMXAPRWTNWJYCZ-ZDUSSCGKSA-N 1 2 337.514 3.509 20 0 EHADLO CSC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CCCCC1 ZINC000886740767 1138129715 /nfs/dbraw/zinc/12/97/15/1138129715.db2.gz IFFGHGDGPUSRFK-OAHLLOKOSA-N 1 2 334.464 3.689 20 0 EHADLO CN(C)C(=O)Sc1cccc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000084083670 1138177414 /nfs/dbraw/zinc/17/74/14/1138177414.db2.gz GTGIIUBLWUHROZ-UHFFFAOYSA-N 1 2 335.498 3.942 20 0 EHADLO COc1cccc([C@H](C)CC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000084599582 1138181723 /nfs/dbraw/zinc/18/17/23/1138181723.db2.gz OKKZBBCZLLCWHQ-MRXNPFEDSA-N 1 2 341.455 3.592 20 0 EHADLO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cnccc1Cl ZINC001137232304 1138182093 /nfs/dbraw/zinc/18/20/93/1138182093.db2.gz KUVGANISPZMKMF-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cnccc1Cl ZINC001137232304 1138182094 /nfs/dbraw/zinc/18/20/94/1138182094.db2.gz KUVGANISPZMKMF-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703522 1138220487 /nfs/dbraw/zinc/22/04/87/1138220487.db2.gz VPCLXLMYFLGEIP-KRWDZBQOSA-N 1 2 337.467 3.574 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703522 1138220488 /nfs/dbraw/zinc/22/04/88/1138220488.db2.gz VPCLXLMYFLGEIP-KRWDZBQOSA-N 1 2 337.467 3.574 20 0 EHADLO C[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1(C(N)=O)CCCC1 ZINC000093212614 1138235145 /nfs/dbraw/zinc/23/51/45/1138235145.db2.gz QJGGXRBRWDTVJF-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1(C(N)=O)CCCC1 ZINC000093212614 1138235148 /nfs/dbraw/zinc/23/51/48/1138235148.db2.gz QJGGXRBRWDTVJF-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000093221871 1138235337 /nfs/dbraw/zinc/23/53/37/1138235337.db2.gz IJRISAKZOYAFIN-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093221871 1138235339 /nfs/dbraw/zinc/23/53/39/1138235339.db2.gz IJRISAKZOYAFIN-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)c2ccccc2)s1 ZINC000121989915 1138253242 /nfs/dbraw/zinc/25/32/42/1138253242.db2.gz BYXRCSKDCHUABI-AWEZNQCLSA-N 1 2 331.485 3.670 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)c2ccccc2)s1 ZINC000121989915 1138253243 /nfs/dbraw/zinc/25/32/43/1138253243.db2.gz BYXRCSKDCHUABI-AWEZNQCLSA-N 1 2 331.485 3.670 20 0 EHADLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1-c1ccccn1 ZINC000122070132 1138254172 /nfs/dbraw/zinc/25/41/72/1138254172.db2.gz UYQJNLMLBQZVTM-UHFFFAOYSA-N 1 2 346.434 3.731 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(OC)cc2)s1 ZINC000122151064 1138254976 /nfs/dbraw/zinc/25/49/76/1138254976.db2.gz FEASODKYIXCSOD-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC)cc2)s1 ZINC000122151064 1138254978 /nfs/dbraw/zinc/25/49/78/1138254978.db2.gz FEASODKYIXCSOD-ZDUSSCGKSA-N 1 2 347.484 3.654 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000122810495 1138262600 /nfs/dbraw/zinc/26/26/00/1138262600.db2.gz ZXOKQSQCWXKVJA-GOEBONIOSA-N 1 2 343.427 3.613 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000122810495 1138262602 /nfs/dbraw/zinc/26/26/02/1138262602.db2.gz ZXOKQSQCWXKVJA-GOEBONIOSA-N 1 2 343.427 3.613 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000126032476 1138321905 /nfs/dbraw/zinc/32/19/05/1138321905.db2.gz MENWKSKILDOERV-FZKQIMNGSA-N 1 2 336.439 3.705 20 0 EHADLO Cc1cccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C ZINC000126128420 1138324982 /nfs/dbraw/zinc/32/49/82/1138324982.db2.gz URVWPSXJHPDJOP-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000263695623 1138344710 /nfs/dbraw/zinc/34/47/10/1138344710.db2.gz JKLRCSPGEZACSN-HXUWFJFHSA-N 1 2 345.446 3.870 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000127073641 1138345979 /nfs/dbraw/zinc/34/59/79/1138345979.db2.gz QALXFTLXIYGVIK-PBHICJAKSA-N 1 2 326.444 3.923 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127109898 1138347175 /nfs/dbraw/zinc/34/71/75/1138347175.db2.gz IPJNMJFXSMXXDC-SJORKVTESA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127109898 1138347180 /nfs/dbraw/zinc/34/71/80/1138347180.db2.gz IPJNMJFXSMXXDC-SJORKVTESA-N 1 2 349.356 3.671 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127139063 1138348158 /nfs/dbraw/zinc/34/81/58/1138348158.db2.gz FWLFIFVZCBYPDL-WBMJQRKESA-N 1 2 332.835 3.960 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000127209463 1138349789 /nfs/dbraw/zinc/34/97/89/1138349789.db2.gz DXCWYQNJRRTHOZ-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127552132 1138362191 /nfs/dbraw/zinc/36/21/91/1138362191.db2.gz UOUMGQOAKHCKJV-NVXWUHKLSA-N 1 2 342.443 3.787 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCCC34CCCC4)[nH+]cn2)C1 ZINC000334029313 1138363423 /nfs/dbraw/zinc/36/34/23/1138363423.db2.gz JQTVGTCUHJNVGI-BBWFWOEESA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCCC34CCCC4)nc[nH+]2)C1 ZINC000334029313 1138363425 /nfs/dbraw/zinc/36/34/25/1138363425.db2.gz JQTVGTCUHJNVGI-BBWFWOEESA-N 1 2 344.503 3.599 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000263830077 1138376651 /nfs/dbraw/zinc/37/66/51/1138376651.db2.gz TVNKCNHSFPNFNU-UHFFFAOYSA-N 1 2 325.437 3.504 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263839370 1138377894 /nfs/dbraw/zinc/37/78/94/1138377894.db2.gz PRKZRZHEUXJDRA-UHFFFAOYSA-N 1 2 348.450 3.695 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000263841903 1138379065 /nfs/dbraw/zinc/37/90/65/1138379065.db2.gz QIBZAMYIIMAMFL-ZDUSSCGKSA-N 1 2 338.411 3.806 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000128263086 1138384553 /nfs/dbraw/zinc/38/45/53/1138384553.db2.gz BBRIMXWZCQRHQX-HXUWFJFHSA-N 1 2 345.446 3.636 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263945271 1138395934 /nfs/dbraw/zinc/39/59/34/1138395934.db2.gz LTZNQCSZZNGWCM-CYBMUJFWSA-N 1 2 325.437 3.573 20 0 EHADLO O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263957497 1138398238 /nfs/dbraw/zinc/39/82/38/1138398238.db2.gz UBNJZVKKWBWPSE-CQSZACIVSA-N 1 2 329.469 3.760 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)ccc21 ZINC000264026044 1138407676 /nfs/dbraw/zinc/40/76/76/1138407676.db2.gz APJCVIMSYQUQFG-HNNXBMFYSA-N 1 2 339.443 3.704 20 0 EHADLO c1ccc(-c2nccc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000264139255 1138427078 /nfs/dbraw/zinc/42/70/78/1138427078.db2.gz QCIZJHNMDUTBOO-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cc(F)cc(F)c2)c1)[NH+]1CCOCC1 ZINC000264281124 1138463144 /nfs/dbraw/zinc/46/31/44/1138463144.db2.gz UDOKJXBKQBWRAJ-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000887579110 1138469298 /nfs/dbraw/zinc/46/92/98/1138469298.db2.gz MKHKLJBPACEUNV-KZNAEPCWSA-N 1 2 337.467 3.566 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnc(OC)nc1C)c1nc(C(F)(F)F)cs1 ZINC000337184469 1138488405 /nfs/dbraw/zinc/48/84/05/1138488405.db2.gz CJRLMPDNQOZRPR-SNVBAGLBSA-N 1 2 346.378 3.510 20 0 EHADLO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000337241030 1138505202 /nfs/dbraw/zinc/50/52/02/1138505202.db2.gz FJGFAWGLDOCHMO-MRXNPFEDSA-N 1 2 346.862 3.988 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cs1 ZINC000264473450 1138527568 /nfs/dbraw/zinc/52/75/68/1138527568.db2.gz RJYIOMRGQIIBIA-AWEZNQCLSA-N 1 2 347.459 3.645 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cs1 ZINC000264473450 1138527572 /nfs/dbraw/zinc/52/75/72/1138527572.db2.gz RJYIOMRGQIIBIA-AWEZNQCLSA-N 1 2 347.459 3.645 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)NCCNc1cccc[nH+]1 ZINC000337490693 1138585088 /nfs/dbraw/zinc/58/50/88/1138585088.db2.gz NFFASYBNTFYUPK-UHFFFAOYSA-N 1 2 345.855 3.721 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000337495284 1138586536 /nfs/dbraw/zinc/58/65/36/1138586536.db2.gz HZUSHCWKJLUIRR-KGKULNKVSA-N 1 2 345.430 3.950 20 0 EHADLO CC(C)(C)C1CCC(CC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1 ZINC000337611930 1138620729 /nfs/dbraw/zinc/62/07/29/1138620729.db2.gz ZBHJMLTXVWDKCA-NKELODKYSA-N 1 2 343.515 3.797 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)ccc1SC ZINC000337671783 1138639845 /nfs/dbraw/zinc/63/98/45/1138639845.db2.gz VIBQCWBVJMZBFH-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)ccc1SC ZINC000337671783 1138639847 /nfs/dbraw/zinc/63/98/47/1138639847.db2.gz VIBQCWBVJMZBFH-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000348462987 1138689622 /nfs/dbraw/zinc/68/96/22/1138689622.db2.gz RZFZYYVYCVGSFA-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265059342 1138715223 /nfs/dbraw/zinc/71/52/23/1138715223.db2.gz WBSDRJIXFBJEKI-OAHLLOKOSA-N 1 2 340.427 3.610 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2cc(C(N)=O)co2)c2cccc(F)c2)c1 ZINC000338017922 1138725046 /nfs/dbraw/zinc/72/50/46/1138725046.db2.gz XYNZPVYFVOLKES-IBGZPJMESA-N 1 2 338.382 3.705 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(CSc2ccccn2)c1 ZINC000338112635 1138754671 /nfs/dbraw/zinc/75/46/71/1138754671.db2.gz ONTIVWQJUUVQLT-UHFFFAOYSA-N 1 2 338.436 3.599 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000338164510 1138771447 /nfs/dbraw/zinc/77/14/47/1138771447.db2.gz LQTRYDJFVJLMNA-UHFFFAOYSA-N 1 2 349.409 3.875 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)c1cccnc1 ZINC000265287226 1138796985 /nfs/dbraw/zinc/79/69/85/1138796985.db2.gz PHXVKJKLJLDZMD-MRXNPFEDSA-N 1 2 334.423 3.550 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cn1)Cc1ccccc1Br ZINC000338236848 1138797122 /nfs/dbraw/zinc/79/71/22/1138797122.db2.gz XKDHOALYKBYQLL-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cn1)Cc1ccccc1Br ZINC000338236848 1138797124 /nfs/dbraw/zinc/79/71/24/1138797124.db2.gz XKDHOALYKBYQLL-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO O=C([C@@H]1CCc2ccccc21)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338261582 1138804477 /nfs/dbraw/zinc/80/44/77/1138804477.db2.gz OFRNVPOVFCWCSZ-RTBURBONSA-N 1 2 340.854 3.543 20 0 EHADLO Cc1ccc2c(C[NH2+][C@@H](C)c3nc(C(C)(C)C)no3)ccc(O)c2n1 ZINC000338295852 1138820946 /nfs/dbraw/zinc/82/09/46/1138820946.db2.gz IMHFDNOZZNILNH-LBPRGKRZSA-N 1 2 340.427 3.780 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000265385667 1138845528 /nfs/dbraw/zinc/84/55/28/1138845528.db2.gz GNOXCZQVYYSSNO-WDEREUQCSA-N 1 2 341.242 3.639 20 0 EHADLO CCC[N@@H+](Cc1csc(CC)n1)C[C@@H]1COc2ccccc2O1 ZINC000338386571 1138879578 /nfs/dbraw/zinc/87/95/78/1138879578.db2.gz ZIYZBAMVHGDBLT-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO CCC[N@H+](Cc1csc(CC)n1)C[C@@H]1COc2ccccc2O1 ZINC000338386571 1138879590 /nfs/dbraw/zinc/87/95/90/1138879590.db2.gz ZIYZBAMVHGDBLT-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000338406390 1138896862 /nfs/dbraw/zinc/89/68/62/1138896862.db2.gz LJGKUOKYKRHZPJ-VQTJNVASSA-N 1 2 349.478 3.664 20 0 EHADLO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000265491143 1138925157 /nfs/dbraw/zinc/92/51/57/1138925157.db2.gz CDNVQLGQXZOMMB-UHFFFAOYSA-N 1 2 331.847 3.747 20 0 EHADLO CCC1CCC(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000338472415 1138931361 /nfs/dbraw/zinc/93/13/61/1138931361.db2.gz WRVYLQYVVJKBKQ-UHFFFAOYSA-N 1 2 340.471 3.888 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000338475148 1138932677 /nfs/dbraw/zinc/93/26/77/1138932677.db2.gz MTXKKJYZXYMJDY-IBGZPJMESA-N 1 2 340.471 3.894 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000151715037 1139053451 /nfs/dbraw/zinc/05/34/51/1139053451.db2.gz WBEFEXHDJPBILY-AUUYWEPGSA-N 1 2 344.430 3.628 20 0 EHADLO O=C(CCCc1ccc(F)c(F)c1)NCCCCNc1cccc[nH+]1 ZINC000152071194 1139072076 /nfs/dbraw/zinc/07/20/76/1139072076.db2.gz WXXMIHXGBRNXOX-UHFFFAOYSA-N 1 2 347.409 3.691 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000152457978 1139091547 /nfs/dbraw/zinc/09/15/47/1139091547.db2.gz TYZATIXMTAOTPJ-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000152457978 1139091556 /nfs/dbraw/zinc/09/15/56/1139091556.db2.gz TYZATIXMTAOTPJ-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cscc3C(F)F)[nH+]c12 ZINC000889324983 1139192474 /nfs/dbraw/zinc/19/24/74/1139192474.db2.gz IFQZRQNQBYDPFL-UHFFFAOYSA-N 1 2 335.379 3.614 20 0 EHADLO CCN(CC(C)(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890247741 1139329477 /nfs/dbraw/zinc/32/94/77/1139329477.db2.gz BMMCWVLNIMMIFU-KRWDZBQOSA-N 1 2 328.460 3.702 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255297 1139331862 /nfs/dbraw/zinc/33/18/62/1139331862.db2.gz QRHLHPCHGNXQKX-JQHSSLGASA-N 1 2 326.444 3.597 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890264768 1139334959 /nfs/dbraw/zinc/33/49/59/1139334959.db2.gz HTBHFTZLBNVALK-BHIYHBOVSA-N 1 2 340.471 3.845 20 0 EHADLO C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)Cc1cccs1 ZINC000173649719 1139369773 /nfs/dbraw/zinc/36/97/73/1139369773.db2.gz GTXPHZUVWXVWFJ-HNNXBMFYSA-N 1 2 346.500 3.513 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000173865180 1139383580 /nfs/dbraw/zinc/38/35/80/1139383580.db2.gz KLPAOJXAOVOYKB-WMLDXEAASA-N 1 2 329.444 3.923 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000173865180 1139383587 /nfs/dbraw/zinc/38/35/87/1139383587.db2.gz KLPAOJXAOVOYKB-WMLDXEAASA-N 1 2 329.444 3.923 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000174368230 1139416549 /nfs/dbraw/zinc/41/65/49/1139416549.db2.gz ZRJMBJJDWUAZFB-KGLIPLIRSA-N 1 2 325.416 3.791 20 0 EHADLO Cc1cscc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175617732 1139504070 /nfs/dbraw/zinc/50/40/70/1139504070.db2.gz MRRIBQVTMASHJB-GJZGRUSLSA-N 1 2 344.480 3.918 20 0 EHADLO C[C@H]1CC[C@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)O1 ZINC000175814508 1139520565 /nfs/dbraw/zinc/52/05/65/1139520565.db2.gz KPQBCQWMNQJRGJ-GXTWGEPZSA-N 1 2 333.819 3.812 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000175964029 1139530999 /nfs/dbraw/zinc/53/09/99/1139530999.db2.gz AMSMDMDRDPDYRA-OAHLLOKOSA-N 1 2 327.428 3.538 20 0 EHADLO C[C@@H](N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1(C)CC1 ZINC000175996468 1139532778 /nfs/dbraw/zinc/53/27/78/1139532778.db2.gz WGDKENAPDGPMAM-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)c3ccccn3)CC2)c1 ZINC000177121210 1139598467 /nfs/dbraw/zinc/59/84/67/1139598467.db2.gz OFEFQWSEJDZRPP-DLBZAZTESA-N 1 2 325.456 3.530 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)c1 ZINC000177121198 1139598550 /nfs/dbraw/zinc/59/85/50/1139598550.db2.gz OFEFQWSEJDZRPP-SJORKVTESA-N 1 2 325.456 3.530 20 0 EHADLO COc1c(C)ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000177587577 1139627875 /nfs/dbraw/zinc/62/78/75/1139627875.db2.gz PTXFTQSJNSFLCO-DYVFJYSZSA-N 1 2 342.443 3.624 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2scnc2C)c1OC(F)F ZINC000179427243 1139756165 /nfs/dbraw/zinc/75/61/65/1139756165.db2.gz XBSXSHOYOFJEFQ-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2scnc2C)c1OC(F)F ZINC000179427243 1139756169 /nfs/dbraw/zinc/75/61/69/1139756169.db2.gz XBSXSHOYOFJEFQ-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1cccc(Nc2nnc(SCCCn3cc[nH+]c3)s2)c1 ZINC000180427976 1139833085 /nfs/dbraw/zinc/83/30/85/1139833085.db2.gz MFLBTTPOXYOGNV-UHFFFAOYSA-N 1 2 347.469 3.669 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000180803589 1139864035 /nfs/dbraw/zinc/86/40/35/1139864035.db2.gz BPGZAFAUTRCMDA-HKUYNNGSSA-N 1 2 341.455 3.586 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181178147 1139889699 /nfs/dbraw/zinc/88/96/99/1139889699.db2.gz LCPVVMGBKNKHQX-NVXWUHKLSA-N 1 2 329.444 3.670 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@H]3CCCc4occc43)nn2)cc1Cl ZINC000181503304 1139911633 /nfs/dbraw/zinc/91/16/33/1139911633.db2.gz LPAIFTUDSWCPCV-INIZCTEOSA-N 1 2 346.793 3.820 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000181583659 1139917285 /nfs/dbraw/zinc/91/72/85/1139917285.db2.gz SWSRMSDXGAXQKO-QGZVFWFLSA-N 1 2 325.456 3.577 20 0 EHADLO CCc1nc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cs1 ZINC000181824762 1139934262 /nfs/dbraw/zinc/93/42/62/1139934262.db2.gz QCEJVBWEDBNINA-INIZCTEOSA-N 1 2 332.469 3.878 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C(C)C)cc1 ZINC000182054753 1139947702 /nfs/dbraw/zinc/94/77/02/1139947702.db2.gz BUDZZNGTDCWZTF-HXUWFJFHSA-N 1 2 336.439 3.763 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000182490171 1139976368 /nfs/dbraw/zinc/97/63/68/1139976368.db2.gz GEPBJDZBYPDCTP-AWEZNQCLSA-N 1 2 347.484 3.687 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)n1 ZINC000182500256 1139976694 /nfs/dbraw/zinc/97/66/94/1139976694.db2.gz YKZHIIGBMVDQJT-LJQANCHMSA-N 1 2 331.460 3.901 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000182850877 1139997181 /nfs/dbraw/zinc/99/71/81/1139997181.db2.gz NMHOLKPPFUTYSF-CQSZACIVSA-N 1 2 332.469 3.638 20 0 EHADLO C[C@@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000183319612 1140030119 /nfs/dbraw/zinc/03/01/19/1140030119.db2.gz JAWICXTVWISIQA-HOTGVXAUSA-N 1 2 341.455 3.973 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cnn1C ZINC000183429997 1140037796 /nfs/dbraw/zinc/03/77/96/1140037796.db2.gz HZMWOCVBRYUTSI-RYUDHWBXSA-N 1 2 343.406 3.638 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1scnc1C1CCCC1 ZINC000183541664 1140045116 /nfs/dbraw/zinc/04/51/16/1140045116.db2.gz JTZLMMIXUHXYHC-UHFFFAOYSA-N 1 2 344.484 3.818 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCS2 ZINC000183863658 1140062392 /nfs/dbraw/zinc/06/23/92/1140062392.db2.gz HOJAPWOBOVOWIA-CYBMUJFWSA-N 1 2 334.876 3.595 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)s1 ZINC000183968266 1140070820 /nfs/dbraw/zinc/07/08/20/1140070820.db2.gz XKAWHADHXBLVRP-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184145322 1140083144 /nfs/dbraw/zinc/08/31/44/1140083144.db2.gz NITGAXAAQUJPFW-AEFFLSMTSA-N 1 2 344.455 3.919 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000184325428 1140095743 /nfs/dbraw/zinc/09/57/43/1140095743.db2.gz NZVYLGAJWYXDPW-ZDUSSCGKSA-N 1 2 342.443 3.911 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cs1 ZINC000184734062 1140118085 /nfs/dbraw/zinc/11/80/85/1140118085.db2.gz SMUINLYIMGMMKO-GJZGRUSLSA-N 1 2 345.512 3.850 20 0 EHADLO C[C@@H]1CCN(C(=O)c2scnc2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000185125210 1140137272 /nfs/dbraw/zinc/13/72/72/1140137272.db2.gz DDFCBADFDLHDEG-HIFRSBDPSA-N 1 2 344.484 3.721 20 0 EHADLO COc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185228788 1140140523 /nfs/dbraw/zinc/14/05/23/1140140523.db2.gz CVVNDBOWTRPDGO-CQSZACIVSA-N 1 2 345.468 3.667 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777422721 1140197983 /nfs/dbraw/zinc/19/79/83/1140197983.db2.gz TYNWDRZRXNJILZ-HUUCEWRRSA-N 1 2 344.833 3.867 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777422721 1140197985 /nfs/dbraw/zinc/19/79/85/1140197985.db2.gz TYNWDRZRXNJILZ-HUUCEWRRSA-N 1 2 344.833 3.867 20 0 EHADLO CC1(C)OCc2cc(CNc3ccc(N4CCCC4)[nH+]c3)ccc2O1 ZINC000186400001 1140201904 /nfs/dbraw/zinc/20/19/04/1140201904.db2.gz FXQTYELEUXNMAB-UHFFFAOYSA-N 1 2 339.439 3.939 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)s1 ZINC000186439226 1140203703 /nfs/dbraw/zinc/20/37/03/1140203703.db2.gz CDKVOIZEMHYPCX-ZDUSSCGKSA-N 1 2 328.441 3.604 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1Br ZINC000186539863 1140209060 /nfs/dbraw/zinc/20/90/60/1140209060.db2.gz DGFCGJIZVWISAV-IINYFYTJSA-N 1 2 342.208 3.956 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187015530 1140232767 /nfs/dbraw/zinc/23/27/67/1140232767.db2.gz LRXAEUGLZWRKPL-HNNXBMFYSA-N 1 2 338.473 3.841 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187015530 1140232771 /nfs/dbraw/zinc/23/27/71/1140232771.db2.gz LRXAEUGLZWRKPL-HNNXBMFYSA-N 1 2 338.473 3.841 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000187533807 1140260394 /nfs/dbraw/zinc/26/03/94/1140260394.db2.gz VVAVDZCWPWSQSL-MRXNPFEDSA-N 1 2 342.270 3.626 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000187533807 1140260397 /nfs/dbraw/zinc/26/03/97/1140260397.db2.gz VVAVDZCWPWSQSL-MRXNPFEDSA-N 1 2 342.270 3.626 20 0 EHADLO c1cn(-c2ccc(CSc3nnc(N4CCCC4)s3)cc2)c[nH+]1 ZINC000187910579 1140276608 /nfs/dbraw/zinc/27/66/08/1140276608.db2.gz VRPHEOHAKCKGNF-UHFFFAOYSA-N 1 2 343.481 3.616 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000189738225 1140361358 /nfs/dbraw/zinc/36/13/58/1140361358.db2.gz FZEDOIFWXBERJB-IBGZPJMESA-N 1 2 331.460 3.530 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccccc1 ZINC000189738225 1140361365 /nfs/dbraw/zinc/36/13/65/1140361365.db2.gz FZEDOIFWXBERJB-IBGZPJMESA-N 1 2 331.460 3.530 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000190401304 1140401596 /nfs/dbraw/zinc/40/15/96/1140401596.db2.gz AGVZOOMGRGMDJF-KRWDZBQOSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000190401304 1140401601 /nfs/dbraw/zinc/40/16/01/1140401601.db2.gz AGVZOOMGRGMDJF-KRWDZBQOSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)c2ccccn2)cc1 ZINC000191078272 1140434803 /nfs/dbraw/zinc/43/48/03/1140434803.db2.gz CYUHLFCRGGDQMU-HXUWFJFHSA-N 1 2 349.482 3.810 20 0 EHADLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1F ZINC000191536095 1140470454 /nfs/dbraw/zinc/47/04/54/1140470454.db2.gz ISDHLEHOMSYAJK-UHFFFAOYSA-N 1 2 349.837 3.817 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC1=CCCCC1 ZINC000192252602 1140514981 /nfs/dbraw/zinc/51/49/81/1140514981.db2.gz WBUSDUQEZSEHOW-UHFFFAOYSA-N 1 2 332.492 3.758 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000192259491 1140516885 /nfs/dbraw/zinc/51/68/85/1140516885.db2.gz FLZUZYGGKMKVQT-HOTGVXAUSA-N 1 2 345.512 3.858 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2noc(-c3ccccc3)n2)C2CC2)cc1 ZINC000193354073 1140573129 /nfs/dbraw/zinc/57/31/29/1140573129.db2.gz OXHSYRXIBAVTIX-IBGZPJMESA-N 1 2 335.407 3.986 20 0 EHADLO O=C(Cc1ccc(Cl)s1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193391470 1140574590 /nfs/dbraw/zinc/57/45/90/1140574590.db2.gz FVPDNFNZDKSVRD-UHFFFAOYSA-N 1 2 349.887 3.646 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000193573441 1140579436 /nfs/dbraw/zinc/57/94/36/1140579436.db2.gz HZJLPQLHRGBKCE-UHFFFAOYSA-N 1 2 331.847 3.592 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000194151516 1140600211 /nfs/dbraw/zinc/60/02/11/1140600211.db2.gz BDTSAHNNQMRCBG-SFHVURJKSA-N 1 2 329.469 3.880 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000194151516 1140600213 /nfs/dbraw/zinc/60/02/13/1140600213.db2.gz BDTSAHNNQMRCBG-SFHVURJKSA-N 1 2 329.469 3.880 20 0 EHADLO Cc1cc([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000194170310 1140600535 /nfs/dbraw/zinc/60/05/35/1140600535.db2.gz LQYFZHFEJDMPPS-MISYRCLQSA-N 1 2 342.483 3.591 20 0 EHADLO C[C@H]1COCC[C@H]1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000195099682 1140630751 /nfs/dbraw/zinc/63/07/51/1140630751.db2.gz YYUDZQHZZHOLQS-KBXCAEBGSA-N 1 2 331.485 3.612 20 0 EHADLO C[C@H]1COCC[C@H]1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000195099682 1140630752 /nfs/dbraw/zinc/63/07/52/1140630752.db2.gz YYUDZQHZZHOLQS-KBXCAEBGSA-N 1 2 331.485 3.612 20 0 EHADLO O=C(c1ccc(NCc2cccc3[nH+]ccn32)cc1)N1CCCCCC1 ZINC000195122497 1140631720 /nfs/dbraw/zinc/63/17/20/1140631720.db2.gz RCMIFWLKHREZQH-UHFFFAOYSA-N 1 2 348.450 3.963 20 0 EHADLO Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1Cl ZINC000195448432 1140639374 /nfs/dbraw/zinc/63/93/74/1140639374.db2.gz FVYOCSAIYBSTIN-UHFFFAOYSA-N 1 2 331.847 3.617 20 0 EHADLO CCC[C@@H](C)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000266489989 1140693777 /nfs/dbraw/zinc/69/37/77/1140693777.db2.gz JAFIWBJTCNXRFL-CQSZACIVSA-N 1 2 337.427 3.810 20 0 EHADLO CCC1(O)CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000266578617 1140704785 /nfs/dbraw/zinc/70/47/85/1140704785.db2.gz GUZCEKFKZUUYRE-UHFFFAOYSA-N 1 2 346.496 3.767 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266709689 1140718298 /nfs/dbraw/zinc/71/82/98/1140718298.db2.gz JBNURMOXEAKQQV-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266709689 1140718302 /nfs/dbraw/zinc/71/83/02/1140718302.db2.gz JBNURMOXEAKQQV-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000267150447 1140762763 /nfs/dbraw/zinc/76/27/63/1140762763.db2.gz DTBTZULFMPOSIF-UHFFFAOYSA-N 1 2 333.482 3.517 20 0 EHADLO O=C(CC1CCCCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000267418801 1140789282 /nfs/dbraw/zinc/78/92/82/1140789282.db2.gz KEIGBMBDDLPARF-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO COc1ccccc1[C@H](C)[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000267735451 1140826579 /nfs/dbraw/zinc/82/65/79/1140826579.db2.gz ZRZLCCOXADNFDR-PSLXWICFSA-N 1 2 328.437 3.661 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1csc2ccccc12 ZINC000267975195 1140859043 /nfs/dbraw/zinc/85/90/43/1140859043.db2.gz WLTBYYMCBWRWBU-AWEZNQCLSA-N 1 2 327.453 3.625 20 0 EHADLO CCC(CC)C(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000267977459 1140859590 /nfs/dbraw/zinc/85/95/90/1140859590.db2.gz OHALTTHUEHRUIE-UHFFFAOYSA-N 1 2 344.503 3.503 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000267991002 1140861682 /nfs/dbraw/zinc/86/16/82/1140861682.db2.gz RSTSWODPDOBXOS-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268326805 1140920518 /nfs/dbraw/zinc/92/05/18/1140920518.db2.gz AWRPLVUFERCQFR-ZDUSSCGKSA-N 1 2 346.406 3.749 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000268344215 1140924076 /nfs/dbraw/zinc/92/40/76/1140924076.db2.gz BJKRDNBXJLKQRH-LSDHHAIUSA-N 1 2 333.432 3.654 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000268344215 1140924081 /nfs/dbraw/zinc/92/40/81/1140924081.db2.gz BJKRDNBXJLKQRH-LSDHHAIUSA-N 1 2 333.432 3.654 20 0 EHADLO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268347176 1140924185 /nfs/dbraw/zinc/92/41/85/1140924185.db2.gz CEFGVYLEZYIHNI-XJKSGUPXSA-N 1 2 349.887 3.738 20 0 EHADLO CC(C)COc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268366014 1140927357 /nfs/dbraw/zinc/92/73/57/1140927357.db2.gz IPNPVJZAAOFOAW-QFBILLFUSA-N 1 2 341.455 3.641 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268830485 1141002993 /nfs/dbraw/zinc/00/29/93/1141002993.db2.gz KKJHTKJHOPTHTP-CYBMUJFWSA-N 1 2 326.227 3.892 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000268830485 1141002998 /nfs/dbraw/zinc/00/29/98/1141002998.db2.gz KKJHTKJHOPTHTP-CYBMUJFWSA-N 1 2 326.227 3.892 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](CCOC)CCc2ccccc2)n1 ZINC000268971017 1141037097 /nfs/dbraw/zinc/03/70/97/1141037097.db2.gz ZXTBQTBBCBLRRL-HNNXBMFYSA-N 1 2 349.500 3.575 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](CCOC)CCc2ccccc2)n1 ZINC000268971017 1141037102 /nfs/dbraw/zinc/03/71/02/1141037102.db2.gz ZXTBQTBBCBLRRL-HNNXBMFYSA-N 1 2 349.500 3.575 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269008327 1141045567 /nfs/dbraw/zinc/04/55/67/1141045567.db2.gz YNBMHRSGVQZOCH-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269008325 1141045583 /nfs/dbraw/zinc/04/55/83/1141045583.db2.gz YNBMHRSGVQZOCH-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO FC(F)(F)c1csc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000269384011 1141101080 /nfs/dbraw/zinc/10/10/80/1141101080.db2.gz SXIHHXKFEXYNNM-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc([C@H]3CCCO3)s2)o1 ZINC000270051232 1141172775 /nfs/dbraw/zinc/17/27/75/1141172775.db2.gz FAKHAPQPRBYXIJ-GDBMZVCRSA-N 1 2 336.457 3.627 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1C ZINC000270189323 1141190030 /nfs/dbraw/zinc/19/00/30/1141190030.db2.gz CRZDVPLMYWRLPE-GJZGRUSLSA-N 1 2 336.439 3.864 20 0 EHADLO CSC[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270481257 1141230384 /nfs/dbraw/zinc/23/03/84/1141230384.db2.gz OCZPVOKYJSDMGO-CYBMUJFWSA-N 1 2 327.453 3.539 20 0 EHADLO COc1ccc2oc(C[NH2+]Cc3csc([C@@H](C)OC)n3)cc2c1 ZINC000270680322 1141256214 /nfs/dbraw/zinc/25/62/14/1141256214.db2.gz YIMPIAGLFPENMH-LLVKDONJSA-N 1 2 332.425 3.895 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000270876422 1141278511 /nfs/dbraw/zinc/27/85/11/1141278511.db2.gz CVDRVVZOKANEQW-IKGGRYGDSA-N 1 2 345.487 3.590 20 0 EHADLO CCC1(CO)CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000270893800 1141280176 /nfs/dbraw/zinc/28/01/76/1141280176.db2.gz NHOPPMHJANPTPS-UHFFFAOYSA-N 1 2 342.270 3.626 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247842 1141333291 /nfs/dbraw/zinc/33/32/91/1141333291.db2.gz CRMDLSMYLDTDBK-IRLDBZIGSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247842 1141333298 /nfs/dbraw/zinc/33/32/98/1141333298.db2.gz CRMDLSMYLDTDBK-IRLDBZIGSA-N 1 2 348.446 3.559 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317890 1141344679 /nfs/dbraw/zinc/34/46/79/1141344679.db2.gz JFTBOMDCMWCQKY-JTDSTZFVSA-N 1 2 346.434 3.674 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCCC[C@@H]1c1ccco1 ZINC000271365016 1141352059 /nfs/dbraw/zinc/35/20/59/1141352059.db2.gz QJCSCQVTQISNJV-QGZVFWFLSA-N 1 2 336.395 3.618 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000271392106 1141356117 /nfs/dbraw/zinc/35/61/17/1141356117.db2.gz UCGJMNRGTFYYAG-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000271392106 1141356121 /nfs/dbraw/zinc/35/61/21/1141356121.db2.gz UCGJMNRGTFYYAG-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO COc1ccccc1COC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000271443663 1141368610 /nfs/dbraw/zinc/36/86/10/1141368610.db2.gz VVDDFRAKICLDEV-UHFFFAOYSA-N 1 2 342.439 3.742 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)[nH]1 ZINC000271462875 1141373905 /nfs/dbraw/zinc/37/39/05/1141373905.db2.gz HQXXBXUOQRPUQR-DTWKUNHWSA-N 1 2 341.228 3.681 20 0 EHADLO COc1ccc(Br)cc1C[NH2+][C@H](C)c1cscn1 ZINC000271534937 1141390905 /nfs/dbraw/zinc/39/09/05/1141390905.db2.gz XGOPKTCJPHSLAJ-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000274294562 1141494689 /nfs/dbraw/zinc/49/46/89/1141494689.db2.gz HVMYPYSTTKITSI-UZJPJQLHSA-N 1 2 343.279 3.977 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000274294559 1141494708 /nfs/dbraw/zinc/49/47/08/1141494708.db2.gz HVMYPYSTTKITSI-CHNSCGDPSA-N 1 2 343.279 3.977 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc2[nH+]1 ZINC000339116466 1141501560 /nfs/dbraw/zinc/50/15/60/1141501560.db2.gz MGFULNKZYZJVOZ-AWEZNQCLSA-N 1 2 325.437 3.903 20 0 EHADLO COCc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)cc1 ZINC000339134069 1141506305 /nfs/dbraw/zinc/50/63/05/1141506305.db2.gz NGCRDYQLYKWSAV-UHFFFAOYSA-N 1 2 347.462 3.885 20 0 EHADLO COCc1ccc(C[N@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)cc1 ZINC000339134069 1141506307 /nfs/dbraw/zinc/50/63/07/1141506307.db2.gz NGCRDYQLYKWSAV-UHFFFAOYSA-N 1 2 347.462 3.885 20 0 EHADLO CC[N@H+](CC(=O)N1CCn2cccc2[C@@H]1C)Cc1ccccc1Cl ZINC000339246029 1141538984 /nfs/dbraw/zinc/53/89/84/1141538984.db2.gz NLVIGDNIESVJKI-HNNXBMFYSA-N 1 2 345.874 3.567 20 0 EHADLO CC[N@@H+](CC(=O)N1CCn2cccc2[C@@H]1C)Cc1ccccc1Cl ZINC000339246029 1141538987 /nfs/dbraw/zinc/53/89/87/1141538987.db2.gz NLVIGDNIESVJKI-HNNXBMFYSA-N 1 2 345.874 3.567 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(Cl)s2)c1C ZINC000283072620 1141547926 /nfs/dbraw/zinc/54/79/26/1141547926.db2.gz DEBQTSAADROLTI-UHFFFAOYSA-N 1 2 338.860 3.623 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572556 1141553416 /nfs/dbraw/zinc/55/34/16/1141553416.db2.gz CGFXJAHOLQAHQQ-DLBZAZTESA-N 1 2 339.483 3.650 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572556 1141553420 /nfs/dbraw/zinc/55/34/20/1141553420.db2.gz CGFXJAHOLQAHQQ-DLBZAZTESA-N 1 2 339.483 3.650 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1c(C3CC3)nc3sccn13)CCO2 ZINC000348638446 1141559495 /nfs/dbraw/zinc/55/94/95/1141559495.db2.gz BPZYCFUAKJTHSX-UHFFFAOYSA-N 1 2 339.464 3.976 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1c(C3CC3)nc3sccn13)CCO2 ZINC000348638446 1141559497 /nfs/dbraw/zinc/55/94/97/1141559497.db2.gz BPZYCFUAKJTHSX-UHFFFAOYSA-N 1 2 339.464 3.976 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000283317637 1141596909 /nfs/dbraw/zinc/59/69/09/1141596909.db2.gz ZLBUMAAPJMOLQS-LRTDBIEQSA-N 1 2 343.279 3.598 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000098076399 219079400 /nfs/dbraw/zinc/07/94/00/219079400.db2.gz REYVOCNQXVEYQP-SUMWQHHRSA-N 1 2 343.496 3.899 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000098076399 219079401 /nfs/dbraw/zinc/07/94/01/219079401.db2.gz REYVOCNQXVEYQP-SUMWQHHRSA-N 1 2 343.496 3.899 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3sc(C)nc3C(F)(F)F)CC2)n1 ZINC000183572283 235145851 /nfs/dbraw/zinc/14/58/51/235145851.db2.gz XHZJMUHOQOECIW-UHFFFAOYSA-N 1 2 346.378 3.541 20 0 EHADLO Cc1csc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)n1 ZINC000038091112 213200363 /nfs/dbraw/zinc/20/03/63/213200363.db2.gz NYPOREBVYLCXST-LBPRGKRZSA-N 1 2 339.258 3.827 20 0 EHADLO Oc1cccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1Br ZINC000459509585 370693932 /nfs/dbraw/zinc/69/39/32/370693932.db2.gz NUBDSRVTDHOYMR-UHFFFAOYSA-N 1 2 347.256 3.718 20 0 EHADLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(SC)c1 ZINC000022558523 212306943 /nfs/dbraw/zinc/30/69/43/212306943.db2.gz KDZFXFLNOGIUNQ-UHFFFAOYSA-N 1 2 325.437 3.959 20 0 EHADLO Cn1ncc2c1nc[nH+]c2SCc1ccc(Cl)cc1Cl ZINC000011675828 211233900 /nfs/dbraw/zinc/23/39/00/211233900.db2.gz AFMJVLDLCOWZBO-UHFFFAOYSA-N 1 2 325.224 3.962 20 0 EHADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc(C3CCCCCC3)[nH]n1)CC2 ZINC000625714601 480019876 /nfs/dbraw/zinc/01/98/76/480019876.db2.gz PTUDVGXDNNXZHG-OAHLLOKOSA-N 1 2 341.459 3.554 20 0 EHADLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000286017985 568414956 /nfs/dbraw/zinc/41/49/56/568414956.db2.gz AQOBPIRPYQGEFB-IAGOWNOFSA-N 1 2 343.427 3.657 20 0 EHADLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000286017985 568414957 /nfs/dbraw/zinc/41/49/57/568414957.db2.gz AQOBPIRPYQGEFB-IAGOWNOFSA-N 1 2 343.427 3.657 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cccc(Cl)c1Cl ZINC000820433044 599441034 /nfs/dbraw/zinc/44/10/34/599441034.db2.gz VMMQGYXYFGVGOQ-QMMMGPOBSA-N 1 2 338.198 3.617 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cccc(Cl)c1Cl ZINC000820433042 599441587 /nfs/dbraw/zinc/44/15/87/599441587.db2.gz VMMQGYXYFGVGOQ-MRVPVSSYSA-N 1 2 338.198 3.617 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259587 601638161 /nfs/dbraw/zinc/63/81/61/601638161.db2.gz YNSUNFKKLNRCOJ-WBVHZDCISA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259587 601638163 /nfs/dbraw/zinc/63/81/63/601638163.db2.gz YNSUNFKKLNRCOJ-WBVHZDCISA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259587 601638165 /nfs/dbraw/zinc/63/81/65/601638165.db2.gz YNSUNFKKLNRCOJ-WBVHZDCISA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259587 601638167 /nfs/dbraw/zinc/63/81/67/601638167.db2.gz YNSUNFKKLNRCOJ-WBVHZDCISA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)Cc2ccccc21 ZINC000736289113 944787705 /nfs/dbraw/zinc/78/77/05/944787705.db2.gz JQNDDHFXVWBJOD-CYBMUJFWSA-N 1 2 342.406 3.539 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H]1c1ccco1 ZINC000822331956 946055784 /nfs/dbraw/zinc/05/57/84/946055784.db2.gz JVVUHQPRHXAANU-OAHLLOKOSA-N 1 2 346.394 3.658 20 0 EHADLO Cc1cc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc(C(C)C)[nH+]1 ZINC000413533561 1032064702 /nfs/dbraw/zinc/06/47/02/1032064702.db2.gz OLUPEUGGFJHLLO-HXUWFJFHSA-N 1 2 337.423 3.523 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 ZINC000183205579 1125475690 /nfs/dbraw/zinc/47/56/90/1125475690.db2.gz ZPMGPZGEUGFPLZ-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 ZINC000183205579 1125475696 /nfs/dbraw/zinc/47/56/96/1125475696.db2.gz ZPMGPZGEUGFPLZ-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO COc1ccc2c(CC(=O)Nc3ccc4[nH+]c(C)cn4c3)coc2c1 ZINC000339267671 1014133896 /nfs/dbraw/zinc/13/38/96/1014133896.db2.gz JWMXJPOOQLNXRU-UHFFFAOYSA-N 1 2 335.363 3.579 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3ccc(F)cc3F)ccc2[nH+]1 ZINC000339269612 1014135052 /nfs/dbraw/zinc/13/50/52/1014135052.db2.gz UYPSZKURWSYECA-UHFFFAOYSA-N 1 2 343.333 3.523 20 0 EHADLO Cc1cn2cc(NC(=O)CSCc3ccc(C)cc3)ccc2[nH+]1 ZINC000339273620 1014139935 /nfs/dbraw/zinc/13/99/35/1014139935.db2.gz XWPMRWDMDZAFKV-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1 ZINC000090232672 1014226249 /nfs/dbraw/zinc/22/62/49/1014226249.db2.gz DJVCNOOKJXJEAP-OAHLLOKOSA-N 1 2 329.407 3.666 20 0 EHADLO Cc1nc(C)c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000685561766 1033566567 /nfs/dbraw/zinc/56/65/67/1033566567.db2.gz FIFIPDWBUNTEDZ-UWVGGRQHSA-N 1 2 330.272 3.854 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1oc(C)nc1C ZINC000685561027 1033566743 /nfs/dbraw/zinc/56/67/43/1033566743.db2.gz VQJJVHOLEBPHFN-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1oc(C)nc1C ZINC000685561027 1033566751 /nfs/dbraw/zinc/56/67/51/1033566751.db2.gz VQJJVHOLEBPHFN-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO CC(C)n1ncc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1-c1ccccc1 ZINC000683118220 1014389872 /nfs/dbraw/zinc/38/98/72/1014389872.db2.gz UGVZYFSUKIVKID-UHFFFAOYSA-N 1 2 349.438 3.844 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+](CCO)Cc3ccccc3)cs2)o1 ZINC000343732511 1032099421 /nfs/dbraw/zinc/09/94/21/1032099421.db2.gz MIDIEGFZQWADCH-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+](CCO)Cc3ccccc3)cs2)o1 ZINC000343732511 1032099440 /nfs/dbraw/zinc/09/94/40/1032099440.db2.gz MIDIEGFZQWADCH-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO CC1(C)C[C@@H]([NH2+]CC2(C(=O)[O-])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000901783433 980513309 /nfs/dbraw/zinc/51/33/09/980513309.db2.gz KUFCXNVIZGFJHS-GOSISDBHSA-N 1 2 344.499 3.664 20 0 EHADLO CC1(C)C[C@@H]([NH2+]CC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000901783433 980513315 /nfs/dbraw/zinc/51/33/15/980513315.db2.gz KUFCXNVIZGFJHS-GOSISDBHSA-N 1 2 344.499 3.664 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCc1ccccc1 ZINC000536672548 1032103514 /nfs/dbraw/zinc/10/35/14/1032103514.db2.gz SVPVAOHUOJQREM-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCc1ccccc1 ZINC000536672548 1032103525 /nfs/dbraw/zinc/10/35/25/1032103525.db2.gz SVPVAOHUOJQREM-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC1(C)C ZINC000274748266 1014794899 /nfs/dbraw/zinc/79/48/99/1014794899.db2.gz URATUFHCCIZRAU-QGZVFWFLSA-N 1 2 330.472 3.592 20 0 EHADLO CCCCOCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000064515809 1014840116 /nfs/dbraw/zinc/84/01/16/1014840116.db2.gz CEGXUMGUFOXBOM-MRXNPFEDSA-N 1 2 342.277 3.639 20 0 EHADLO CCCCOCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000064515809 1014840133 /nfs/dbraw/zinc/84/01/33/1014840133.db2.gz CEGXUMGUFOXBOM-MRXNPFEDSA-N 1 2 342.277 3.639 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2sccc2c(O)c1 ZINC001625796879 1014912550 /nfs/dbraw/zinc/91/25/50/1014912550.db2.gz CZZPERWLPBANQJ-UHFFFAOYSA-N 1 2 349.415 3.723 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459427235 1032111764 /nfs/dbraw/zinc/11/17/64/1032111764.db2.gz OMXOBYVMHFBJSB-ZDUSSCGKSA-N 1 2 336.222 3.884 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000109130850 1015213348 /nfs/dbraw/zinc/21/33/48/1015213348.db2.gz YXJWTKQADVRMIQ-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000109130850 1015213366 /nfs/dbraw/zinc/21/33/66/1015213366.db2.gz YXJWTKQADVRMIQ-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO FC(F)c1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cn1 ZINC000639045026 1015250989 /nfs/dbraw/zinc/25/09/89/1015250989.db2.gz TVHBKYMMHCMBMC-QGZVFWFLSA-N 1 2 332.394 3.853 20 0 EHADLO FC(F)c1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cn1 ZINC000639045026 1015250997 /nfs/dbraw/zinc/25/09/97/1015250997.db2.gz TVHBKYMMHCMBMC-QGZVFWFLSA-N 1 2 332.394 3.853 20 0 EHADLO CC[C@H]1c2ccccc2CN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000890615608 1015281524 /nfs/dbraw/zinc/28/15/24/1015281524.db2.gz XZUCBNMPQUYGOP-GJZGRUSLSA-N 1 2 337.345 3.870 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C2CC2)cc1Cl ZINC000655383880 1015491338 /nfs/dbraw/zinc/49/13/38/1015491338.db2.gz HMMJVKSHXSXUTI-LBPRGKRZSA-N 1 2 345.830 3.624 20 0 EHADLO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ncc(Br)s1 ZINC000339680236 1015498950 /nfs/dbraw/zinc/49/89/50/1015498950.db2.gz CKPKGSJTPSXFNU-GRYCIOLGSA-N 1 2 346.338 3.819 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC001266318608 1015523937 /nfs/dbraw/zinc/52/39/37/1015523937.db2.gz WYTVRNKUIXDOLV-XJJUMBGLSA-N 1 2 341.499 3.795 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000179697278 1015556478 /nfs/dbraw/zinc/55/64/78/1015556478.db2.gz IREPLNIUBXNGRN-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191527 990782780 /nfs/dbraw/zinc/78/27/80/990782780.db2.gz KUNWTBGANKVZQW-DOMZBBRYSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191527 990782788 /nfs/dbraw/zinc/78/27/88/990782788.db2.gz KUNWTBGANKVZQW-DOMZBBRYSA-N 1 2 345.270 3.535 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000535615098 1015585508 /nfs/dbraw/zinc/58/55/08/1015585508.db2.gz AYGHHYCORIKGBV-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000535615098 1015585516 /nfs/dbraw/zinc/58/55/16/1015585516.db2.gz AYGHHYCORIKGBV-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@@H]2C=CCCC2)c1)[NH+]1CCOCC1 ZINC000275000804 1015733640 /nfs/dbraw/zinc/73/36/40/1015733640.db2.gz KJFLGKUIUBRDKF-IAGOWNOFSA-N 1 2 328.456 3.765 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(F)ccc1C ZINC000179884499 1015741919 /nfs/dbraw/zinc/74/19/19/1015741919.db2.gz NMTZJAGPFPWHSK-UHFFFAOYSA-N 1 2 332.444 3.927 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(F)ccc1C ZINC000179884499 1015741926 /nfs/dbraw/zinc/74/19/26/1015741926.db2.gz NMTZJAGPFPWHSK-UHFFFAOYSA-N 1 2 332.444 3.927 20 0 EHADLO COc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1Br ZINC000037283828 1015755021 /nfs/dbraw/zinc/75/50/21/1015755021.db2.gz FMYQGAKEZVYLCB-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000655230433 1015765912 /nfs/dbraw/zinc/76/59/12/1015765912.db2.gz YQZGYVHJEVJAFX-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccncc2Br)cc1C ZINC000625134850 1015784176 /nfs/dbraw/zinc/78/41/76/1015784176.db2.gz GKUKTILOLQIUFT-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccncc2Br)cc1C ZINC000625134850 1015784180 /nfs/dbraw/zinc/78/41/80/1015784180.db2.gz GKUKTILOLQIUFT-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)o1 ZINC000154761575 1015800765 /nfs/dbraw/zinc/80/07/65/1015800765.db2.gz PSRPGMFOOWVOMS-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)o1 ZINC000154761575 1015800776 /nfs/dbraw/zinc/80/07/76/1015800776.db2.gz PSRPGMFOOWVOMS-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO CC(C)[N@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccccn1 ZINC000075642882 1015815221 /nfs/dbraw/zinc/81/52/21/1015815221.db2.gz XPBFDVCTTUVIOC-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccccn1 ZINC000075642882 1015815235 /nfs/dbraw/zinc/81/52/35/1015815235.db2.gz XPBFDVCTTUVIOC-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO Fc1cccc(-c2nnc(C[N@@H+]3CCCc4sccc4C3)o2)c1 ZINC000075718568 1015818052 /nfs/dbraw/zinc/81/80/52/1015818052.db2.gz OJJVNSXXYHLHSN-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO Fc1cccc(-c2nnc(C[N@H+]3CCCc4sccc4C3)o2)c1 ZINC000075718568 1015818060 /nfs/dbraw/zinc/81/80/60/1015818060.db2.gz OJJVNSXXYHLHSN-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000075955784 1015828818 /nfs/dbraw/zinc/82/88/18/1015828818.db2.gz BGEWNXMLIWQGJJ-MRXNPFEDSA-N 1 2 331.481 3.781 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000075955784 1015828826 /nfs/dbraw/zinc/82/88/26/1015828826.db2.gz BGEWNXMLIWQGJJ-MRXNPFEDSA-N 1 2 331.481 3.781 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)sc2C1 ZINC000547758260 1015875763 /nfs/dbraw/zinc/87/57/63/1015875763.db2.gz SCPSIFLLWKRVRK-NEPJUHHUSA-N 1 2 344.484 3.830 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C ZINC000584323128 1032137317 /nfs/dbraw/zinc/13/73/17/1032137317.db2.gz ZAXHMUCXZOMFFE-LMMKCTJWSA-N 1 2 339.483 3.662 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000339958269 1016068326 /nfs/dbraw/zinc/06/83/26/1016068326.db2.gz FHNXUMVVSDZEFN-SFHVURJKSA-N 1 2 337.423 3.881 20 0 EHADLO COC[C@@H](C)N(Cc1cccc(OC)c1)c1cc(C)[nH+]c(C(C)C)n1 ZINC001167119316 1016111851 /nfs/dbraw/zinc/11/18/51/1016111851.db2.gz BWGQLWQXTSWIOY-MRXNPFEDSA-N 1 2 343.471 3.959 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657839631 1032140236 /nfs/dbraw/zinc/14/02/36/1032140236.db2.gz XZSKXRWUMKFHAT-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO Clc1cc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c2cc1Cl ZINC001167126471 1016211635 /nfs/dbraw/zinc/21/16/35/1016211635.db2.gz VYFLPVOTJTYQPA-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CCC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000109759783 1016282709 /nfs/dbraw/zinc/28/27/09/1016282709.db2.gz WAHWDRYLMLRRIH-KRWDZBQOSA-N 1 2 332.488 3.556 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000091921045 1016325030 /nfs/dbraw/zinc/32/50/30/1016325030.db2.gz ODIOMLFQPKZWEU-IRXDYDNUSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1cc(F)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000091921045 1016325037 /nfs/dbraw/zinc/32/50/37/1016325037.db2.gz ODIOMLFQPKZWEU-IRXDYDNUSA-N 1 2 335.444 3.520 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000065296587 1016376223 /nfs/dbraw/zinc/37/62/23/1016376223.db2.gz DGMJQAOAPVWYQK-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000065296587 1016376230 /nfs/dbraw/zinc/37/62/30/1016376230.db2.gz DGMJQAOAPVWYQK-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000376565073 1016490029 /nfs/dbraw/zinc/49/00/29/1016490029.db2.gz KLZUDANGNDALOO-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO c1ccc([C@@H](CC2CC2)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000683391157 1016584922 /nfs/dbraw/zinc/58/49/22/1016584922.db2.gz RZMNDTPRHHLXRA-QGZVFWFLSA-N 1 2 340.496 3.983 20 0 EHADLO c1ccc([C@@H](CC2CC2)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000683391157 1016584935 /nfs/dbraw/zinc/58/49/35/1016584935.db2.gz RZMNDTPRHHLXRA-QGZVFWFLSA-N 1 2 340.496 3.983 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+]3CCOc4ccccc4C3)on2)cc1 ZINC000613564608 1016588059 /nfs/dbraw/zinc/58/80/59/1016588059.db2.gz GACFTLGYUMNZAS-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO COc1ccc(-c2cc(C[N@H+]3CCOc4ccccc4C3)on2)cc1 ZINC000613564608 1016588073 /nfs/dbraw/zinc/58/80/73/1016588073.db2.gz GACFTLGYUMNZAS-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)c1 ZINC000178644748 1016745702 /nfs/dbraw/zinc/74/57/02/1016745702.db2.gz UIGRDUXVBHCLAJ-UHFFFAOYSA-N 1 2 342.402 3.635 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)NCCNc1cccc[nH+]1 ZINC000340234378 1016749456 /nfs/dbraw/zinc/74/94/56/1016749456.db2.gz GZIUUUDARDQNLM-SFHVURJKSA-N 1 2 343.496 3.568 20 0 EHADLO CCNC(=O)OC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001204476745 1016762779 /nfs/dbraw/zinc/76/27/79/1016762779.db2.gz AGCQSQPWWWYPKD-UHFFFAOYSA-N 1 2 348.340 3.555 20 0 EHADLO OC[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000182928851 1032150202 /nfs/dbraw/zinc/15/02/02/1032150202.db2.gz VUDZUEUBVHTQTC-MRXNPFEDSA-N 1 2 328.799 3.818 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000892697081 1016844143 /nfs/dbraw/zinc/84/41/43/1016844143.db2.gz ROOVNBFQOTUNMU-CVEARBPZSA-N 1 2 349.427 3.684 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccccc1CCC(F)(F)F ZINC000340288988 1016867886 /nfs/dbraw/zinc/86/78/86/1016867886.db2.gz SUKHWTBQMFWGSG-UHFFFAOYSA-N 1 2 347.340 3.759 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1 ZINC000340335022 1016959586 /nfs/dbraw/zinc/95/95/86/1016959586.db2.gz XDRMEIONFQKMNZ-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1 ZINC000340335022 1016959602 /nfs/dbraw/zinc/95/96/02/1016959602.db2.gz XDRMEIONFQKMNZ-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1OC(F)F)C2 ZINC000376626345 1016957194 /nfs/dbraw/zinc/95/71/94/1016957194.db2.gz KAEBJXZLGMRLFG-LLVKDONJSA-N 1 2 349.381 3.878 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1OC(F)F)CC2 ZINC000376626345 1016957206 /nfs/dbraw/zinc/95/72/06/1016957206.db2.gz KAEBJXZLGMRLFG-LLVKDONJSA-N 1 2 349.381 3.878 20 0 EHADLO COc1cc(C)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1C ZINC000376727832 1016995366 /nfs/dbraw/zinc/99/53/66/1016995366.db2.gz GRRDVODJYHEZRJ-UHFFFAOYSA-N 1 2 342.443 3.686 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590102526 1017025711 /nfs/dbraw/zinc/02/57/11/1017025711.db2.gz VCSJAEJJCJOFBX-ZWKOTPCHSA-N 1 2 344.503 3.518 20 0 EHADLO Fc1cccc(C2CC([NH2+][C@H](c3cccs3)c3nnc[nH]3)C2)c1 ZINC000340374754 1017063830 /nfs/dbraw/zinc/06/38/30/1017063830.db2.gz FCEQKRBYUGCLOO-LDZOIKDWSA-N 1 2 328.416 3.631 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000459463403 1032164423 /nfs/dbraw/zinc/16/44/23/1032164423.db2.gz LWUPAEBUQBMEET-LBPRGKRZSA-N 1 2 329.473 3.508 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000459463403 1032164435 /nfs/dbraw/zinc/16/44/35/1032164435.db2.gz LWUPAEBUQBMEET-LBPRGKRZSA-N 1 2 329.473 3.508 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)cnn1C ZINC000183431465 1032170130 /nfs/dbraw/zinc/17/01/30/1032170130.db2.gz DKQPUZJKKJSZQB-JTQLQIEISA-N 1 2 332.354 3.513 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)o1 ZINC000538149366 1032189039 /nfs/dbraw/zinc/18/90/39/1032189039.db2.gz WWPOYPDHRIMOMQ-LXIYXOSZSA-N 1 2 347.386 3.728 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)o1 ZINC000538149366 1032189041 /nfs/dbraw/zinc/18/90/41/1032189041.db2.gz WWPOYPDHRIMOMQ-LXIYXOSZSA-N 1 2 347.386 3.728 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179081019 1032213123 /nfs/dbraw/zinc/21/31/23/1032213123.db2.gz INBXMXYQEOBSRX-WCRPCQDQSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000183964256 1032218213 /nfs/dbraw/zinc/21/82/13/1032218213.db2.gz ONOSMVYKXVSIOX-UHFFFAOYSA-N 1 2 344.405 3.891 20 0 EHADLO Cn1ncc(Br)c1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000584361071 1032219858 /nfs/dbraw/zinc/21/98/58/1032219858.db2.gz AKZFNQDPQUMXHB-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CC(C)c1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184024731 1032225502 /nfs/dbraw/zinc/22/55/02/1032225502.db2.gz RVEICCLLVZUHOJ-UHFFFAOYSA-N 1 2 338.455 3.949 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176829734 1032228034 /nfs/dbraw/zinc/22/80/34/1032228034.db2.gz HKPAQYRSYNBGFY-ZDUSSCGKSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176829734 1032228050 /nfs/dbraw/zinc/22/80/50/1032228050.db2.gz HKPAQYRSYNBGFY-ZDUSSCGKSA-N 1 2 343.500 3.889 20 0 EHADLO COCC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528382888 1032235516 /nfs/dbraw/zinc/23/55/16/1032235516.db2.gz QYOLOTYZGWZXFU-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO C[C@H](CC(=O)N(Cc1ccccc1Cl)CC1CC1)n1cc[nH+]c1 ZINC000568753011 1032264393 /nfs/dbraw/zinc/26/43/93/1032264393.db2.gz KMPLBHQMNPQSCP-CQSZACIVSA-N 1 2 331.847 3.926 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC000568753012 1032265061 /nfs/dbraw/zinc/26/50/61/1032265061.db2.gz KOEGCMKCGISEMQ-AWEZNQCLSA-N 1 2 331.847 3.894 20 0 EHADLO C[C@@H]1C[C@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000184217224 1032274159 /nfs/dbraw/zinc/27/41/59/1032274159.db2.gz KUXJELHEKDDNIT-ZACQAIPSSA-N 1 2 331.504 3.664 20 0 EHADLO CCCCC[N@H+](CC(N)=O)Cc1cc(Br)ccc1Cl ZINC001168369871 1032279059 /nfs/dbraw/zinc/27/90/59/1032279059.db2.gz BTYWBFVWMOFQAD-UHFFFAOYSA-N 1 2 347.684 3.580 20 0 EHADLO CCCCC[N@@H+](CC(N)=O)Cc1cc(Br)ccc1Cl ZINC001168369871 1032279067 /nfs/dbraw/zinc/27/90/67/1032279067.db2.gz BTYWBFVWMOFQAD-UHFFFAOYSA-N 1 2 347.684 3.580 20 0 EHADLO C[C@H](CC(=O)NCCNc1cccc[nH+]1)Cc1ccc(Cl)cc1 ZINC000536800949 1032281316 /nfs/dbraw/zinc/28/13/16/1032281316.db2.gz MILRGDCWOAVKGA-AWEZNQCLSA-N 1 2 331.847 3.532 20 0 EHADLO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000081301011 1032292021 /nfs/dbraw/zinc/29/20/21/1032292021.db2.gz XXCAUMIEECDDKP-MAUKXSAKSA-N 1 2 327.428 3.617 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(O)c2Br)[C@H]1[C@@H]1CCCO1 ZINC000459570111 1032296960 /nfs/dbraw/zinc/29/69/60/1032296960.db2.gz ZVVBXLSDXCJEAY-ZFWWWQNUSA-N 1 2 340.261 3.544 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(O)c2Br)[C@H]1[C@@H]1CCCO1 ZINC000459570111 1032296971 /nfs/dbraw/zinc/29/69/71/1032296971.db2.gz ZVVBXLSDXCJEAY-ZFWWWQNUSA-N 1 2 340.261 3.544 20 0 EHADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459580233 1032304145 /nfs/dbraw/zinc/30/41/45/1032304145.db2.gz ONNWZBCWGMCUEZ-MRXNPFEDSA-N 1 2 340.389 3.624 20 0 EHADLO OC[C@H]([NH2+]Cc1ncccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000528439898 1032300908 /nfs/dbraw/zinc/30/09/08/1032300908.db2.gz GKLKJOPOEJHWEB-AWEZNQCLSA-N 1 2 330.737 3.577 20 0 EHADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459580233 1032304159 /nfs/dbraw/zinc/30/41/59/1032304159.db2.gz ONNWZBCWGMCUEZ-MRXNPFEDSA-N 1 2 340.389 3.624 20 0 EHADLO CC(C)NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459589468 1032311122 /nfs/dbraw/zinc/31/11/22/1032311122.db2.gz IZELWSIDDGRPFB-MRXNPFEDSA-N 1 2 348.878 3.658 20 0 EHADLO CC(C)NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459589468 1032311140 /nfs/dbraw/zinc/31/11/40/1032311140.db2.gz IZELWSIDDGRPFB-MRXNPFEDSA-N 1 2 348.878 3.658 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)cs1 ZINC000528451339 1032321154 /nfs/dbraw/zinc/32/11/54/1032321154.db2.gz XFBMXSXNTNHDFY-VIFPVBQESA-N 1 2 341.839 3.787 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]CCOCC3CC3)c3ccccc3)n2)cc1 ZINC000475764279 1032330811 /nfs/dbraw/zinc/33/08/11/1032330811.db2.gz ZQOUIQYCZXMQKW-IBGZPJMESA-N 1 2 349.434 3.842 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000528465238 1032333300 /nfs/dbraw/zinc/33/33/00/1032333300.db2.gz OFLZDOSJUUJZHW-SECBINFHSA-N 1 2 348.251 3.841 20 0 EHADLO Cn1cc(-c2cc(C[NH2+]C3(c4ccc(F)cc4F)CCC3)on2)cn1 ZINC000185054711 1032341661 /nfs/dbraw/zinc/34/16/61/1032341661.db2.gz WKYSZOXVNSFUID-UHFFFAOYSA-N 1 2 344.365 3.522 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185034340 1032342109 /nfs/dbraw/zinc/34/21/09/1032342109.db2.gz MRYNNMIVBHPTFY-OCCSQVGLSA-N 1 2 349.525 3.700 20 0 EHADLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccnn1C1CCCC1)C2 ZINC000449230267 1032348437 /nfs/dbraw/zinc/34/84/37/1032348437.db2.gz JFTFXFMSRXWPPT-UHFFFAOYSA-N 1 2 341.455 3.574 20 0 EHADLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccnn1C1CCCC1)C2 ZINC000449230267 1032348445 /nfs/dbraw/zinc/34/84/45/1032348445.db2.gz JFTFXFMSRXWPPT-UHFFFAOYSA-N 1 2 341.455 3.574 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2c(C3CC3)nc3sccn23)s1 ZINC000538409903 1032353984 /nfs/dbraw/zinc/35/39/84/1032353984.db2.gz BVNYCSFRJBYMRU-UHFFFAOYSA-N 1 2 333.486 3.538 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000449254515 1032360733 /nfs/dbraw/zinc/36/07/33/1032360733.db2.gz YKIUTCGQRMMDOJ-SFHVURJKSA-N 1 2 327.472 3.662 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000459644219 1032366247 /nfs/dbraw/zinc/36/62/47/1032366247.db2.gz WNXXCQJBUJDTMX-UHFFFAOYSA-N 1 2 341.352 3.845 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000459651883 1032373839 /nfs/dbraw/zinc/37/38/39/1032373839.db2.gz RNJBBKNQFMNQGI-LBPRGKRZSA-N 1 2 327.350 3.613 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000449267691 1032387485 /nfs/dbraw/zinc/38/74/85/1032387485.db2.gz AYWMNOZWMIKYIS-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ncccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000528521060 1032398979 /nfs/dbraw/zinc/39/89/79/1032398979.db2.gz ZEFAIXQIYWOOSK-CQSZACIVSA-N 1 2 344.764 3.967 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1)C(F)F ZINC000449364222 1032479099 /nfs/dbraw/zinc/47/90/99/1032479099.db2.gz RMZWFILNLDMYQK-OAHLLOKOSA-N 1 2 336.382 3.803 20 0 EHADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)c(Oc2ccccc2)c1 ZINC000087474256 1032492925 /nfs/dbraw/zinc/49/29/25/1032492925.db2.gz MKBCCIDFSMBCBL-UHFFFAOYSA-N 1 2 335.407 3.690 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000537046842 1032501648 /nfs/dbraw/zinc/50/16/48/1032501648.db2.gz MKCQTAKLTJBNCY-KDOFPFPSSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000537046842 1032501657 /nfs/dbraw/zinc/50/16/57/1032501657.db2.gz MKCQTAKLTJBNCY-KDOFPFPSSA-N 1 2 329.396 3.509 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccco1 ZINC000343941776 1032522048 /nfs/dbraw/zinc/52/20/48/1032522048.db2.gz AJMHGYCVMAWOJN-AWEZNQCLSA-N 1 2 345.365 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2scnc2C(C)C)c1C ZINC000455843518 1032523407 /nfs/dbraw/zinc/52/34/07/1032523407.db2.gz JEGLEXJTJNDCKZ-UHFFFAOYSA-N 1 2 348.472 3.951 20 0 EHADLO Cc1noc(C23CC(C2)C[N@H+]3[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000528632474 1032527235 /nfs/dbraw/zinc/52/72/35/1032527235.db2.gz ZCVNDJDPOICYDD-JJMSQDNMSA-N 1 2 335.354 3.662 20 0 EHADLO Cc1noc(C23CC(C2)C[N@@H+]3[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000528632474 1032527239 /nfs/dbraw/zinc/52/72/39/1032527239.db2.gz ZCVNDJDPOICYDD-JJMSQDNMSA-N 1 2 335.354 3.662 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246022557 1032532376 /nfs/dbraw/zinc/53/23/76/1032532376.db2.gz VCUDSBZWSBMUGJ-POJUEXTFSA-N 1 2 336.842 3.607 20 0 EHADLO CC[C@H](C)n1ncc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C1CC1 ZINC000089790800 1032541975 /nfs/dbraw/zinc/54/19/75/1032541975.db2.gz QHJQMJTZUUZMOQ-ZDUSSCGKSA-N 1 2 337.427 3.940 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000449430337 1032546599 /nfs/dbraw/zinc/54/65/99/1032546599.db2.gz VZXXSKYEWZVUNG-GDBMZVCRSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000449430337 1032546604 /nfs/dbraw/zinc/54/66/04/1032546604.db2.gz VZXXSKYEWZVUNG-GDBMZVCRSA-N 1 2 325.836 3.702 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1nc(-c2ccncc2)cs1 ZINC000537193641 1032553209 /nfs/dbraw/zinc/55/32/09/1032553209.db2.gz UNRCLXGZFKBCDF-BLLLJJGKSA-N 1 2 339.468 3.741 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2csc(-c3cnn(C)c3)n2)s1 ZINC000592818051 1032590437 /nfs/dbraw/zinc/59/04/37/1032590437.db2.gz ZRIYEYBLAMKPTQ-NSHDSACASA-N 1 2 347.513 3.810 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2csc(-c3cnn(C)c3)n2)s1 ZINC000592818051 1032590446 /nfs/dbraw/zinc/59/04/46/1032590446.db2.gz ZRIYEYBLAMKPTQ-NSHDSACASA-N 1 2 347.513 3.810 20 0 EHADLO O=C(CCOc1ccc2ccccc2c1)Nc1ccc2[nH+]ccn2c1 ZINC000606198527 1032601491 /nfs/dbraw/zinc/60/14/91/1032601491.db2.gz JBKSXDRPMXFPDZ-UHFFFAOYSA-N 1 2 331.375 3.895 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000606238008 1032613735 /nfs/dbraw/zinc/61/37/35/1032613735.db2.gz ZKNIHPKNVVUKIQ-LPHOPBHVSA-N 1 2 344.499 3.982 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccs1 ZINC000606345002 1032627687 /nfs/dbraw/zinc/62/76/87/1032627687.db2.gz KKUCAQNQOSENMY-OOYWPUHTSA-N 1 2 340.492 3.709 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)c1ccccc1 ZINC000602125279 1032652899 /nfs/dbraw/zinc/65/28/99/1032652899.db2.gz RLTLAMMZACOFGO-AWEZNQCLSA-N 1 2 333.391 3.924 20 0 EHADLO CCC1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000460182813 1032654021 /nfs/dbraw/zinc/65/40/21/1032654021.db2.gz CJQQHYYSAYQBRH-IRXDYDNUSA-N 1 2 332.492 3.836 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1Cl ZINC000892721183 1017180581 /nfs/dbraw/zinc/18/05/81/1017180581.db2.gz OYZLUDRUNSGHRT-MRXNPFEDSA-N 1 2 331.851 3.745 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000188737790 1017268291 /nfs/dbraw/zinc/26/82/91/1017268291.db2.gz OKZJCTVAFDJVEX-UHFFFAOYSA-N 1 2 347.846 3.966 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 ZINC000655621741 1017309493 /nfs/dbraw/zinc/30/94/93/1017309493.db2.gz SZRYZCNMTPASEE-PXNSSMCTSA-N 1 2 338.455 3.502 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450026 1032690298 /nfs/dbraw/zinc/69/02/98/1032690298.db2.gz MIOMGBRGGPKJGI-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450026 1032690308 /nfs/dbraw/zinc/69/03/08/1032690308.db2.gz MIOMGBRGGPKJGI-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+]Cc1nccn1C1CC1 ZINC000892756303 1017331836 /nfs/dbraw/zinc/33/18/36/1017331836.db2.gz AUARDUGBODFHEZ-UHFFFAOYSA-N 1 2 340.652 3.924 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377100109 1017341364 /nfs/dbraw/zinc/34/13/64/1017341364.db2.gz YVSDILRKUMLDPR-INIZCTEOSA-N 1 2 325.412 3.790 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c2ccccc21 ZINC000377182051 1017390470 /nfs/dbraw/zinc/39/04/70/1017390470.db2.gz DQLUOZUJHMKWOJ-UONOGXRCSA-N 1 2 337.398 3.615 20 0 EHADLO CCc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(CC)[nH+]1 ZINC000892779905 1017412199 /nfs/dbraw/zinc/41/21/99/1017412199.db2.gz WWPMRXHHZBFTPK-NPMABZOXSA-N 1 2 331.485 3.536 20 0 EHADLO CCC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000046616964 1017437606 /nfs/dbraw/zinc/43/76/06/1017437606.db2.gz JSYWYVSJQDJIMA-LJQANCHMSA-N 1 2 337.467 3.751 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000288876353 1017438782 /nfs/dbraw/zinc/43/87/82/1017438782.db2.gz QVAPOECNUDLQCB-HNNXBMFYSA-N 1 2 338.766 3.865 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528732061 1032700282 /nfs/dbraw/zinc/70/02/82/1032700282.db2.gz NABARXOOBQKDPZ-FQEVSTJZSA-N 1 2 341.455 3.727 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528732061 1032700294 /nfs/dbraw/zinc/70/02/94/1032700294.db2.gz NABARXOOBQKDPZ-FQEVSTJZSA-N 1 2 341.455 3.727 20 0 EHADLO COC[C@H]([NH2+][C@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655723945 1017458080 /nfs/dbraw/zinc/45/80/80/1017458080.db2.gz JPRWXCPTJAVLCF-GJZGRUSLSA-N 1 2 339.361 3.714 20 0 EHADLO CCOc1cc(CNc2cc(COC)cc[nH+]2)cc(Cl)c1OC ZINC000650244980 1017465490 /nfs/dbraw/zinc/46/54/90/1017465490.db2.gz XEIFFPPNTHOJQR-UHFFFAOYSA-N 1 2 336.819 3.901 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000151974588 1017471675 /nfs/dbraw/zinc/47/16/75/1017471675.db2.gz OKOQHSLGGMJVBR-ZWKOTPCHSA-N 1 2 343.515 3.893 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1c(F)cccc1Cl ZINC000549169455 1017482303 /nfs/dbraw/zinc/48/23/03/1017482303.db2.gz VLUGVBSRKUJDIA-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000584451976 1032704017 /nfs/dbraw/zinc/70/40/17/1032704017.db2.gz MFHWVUYJLZFRCR-ABAIWWIYSA-N 1 2 335.329 3.615 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794590 1032704166 /nfs/dbraw/zinc/70/41/66/1032704166.db2.gz BCHDOTDJPHQJGA-CVEARBPZSA-N 1 2 347.459 3.514 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794590 1032704183 /nfs/dbraw/zinc/70/41/83/1032704183.db2.gz BCHDOTDJPHQJGA-CVEARBPZSA-N 1 2 347.459 3.514 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000655747631 1017524806 /nfs/dbraw/zinc/52/48/06/1017524806.db2.gz IARYLUMHQSQVAH-UHFFFAOYSA-N 1 2 342.443 3.944 20 0 EHADLO O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574062134 1032709907 /nfs/dbraw/zinc/70/99/07/1032709907.db2.gz JMRVVMGNCJGUAC-NXWXRZEISA-N 1 2 328.456 3.668 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1NCC2)c1nc(-c2cccc(F)c2)no1 ZINC000415110927 1017559557 /nfs/dbraw/zinc/55/95/57/1017559557.db2.gz TWEMVTQSCSSFTD-GFCCVEGCSA-N 1 2 338.386 3.695 20 0 EHADLO Cc1cccc(Oc2ccccc2NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000549196903 1017608642 /nfs/dbraw/zinc/60/86/42/1017608642.db2.gz NHKNMPXLOLBKGF-UHFFFAOYSA-N 1 2 348.406 3.917 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1(c2cccnc2)CC2(CCC2)C1 ZINC000892867737 1017615228 /nfs/dbraw/zinc/61/52/28/1017615228.db2.gz JHLHLULBCULCBX-UHFFFAOYSA-N 1 2 347.418 3.675 20 0 EHADLO c1ccc([C@H](CC2CCC2)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655794865 1017628793 /nfs/dbraw/zinc/62/87/93/1017628793.db2.gz UBKFMCZYEISCNO-IRXDYDNUSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)C1CCCC1 ZINC000655798059 1017638163 /nfs/dbraw/zinc/63/81/63/1017638163.db2.gz VVQQDJLXBPZLBY-PKOBYXMFSA-N 1 2 340.471 3.986 20 0 EHADLO c1ccc(-c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)cc2)cc1 ZINC000655820116 1017696811 /nfs/dbraw/zinc/69/68/11/1017696811.db2.gz RPKASZQAMRCWEQ-GOSISDBHSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000290953513 1017702859 /nfs/dbraw/zinc/70/28/59/1017702859.db2.gz GWKBYGAQBNMIQF-QGZVFWFLSA-N 1 2 340.427 3.671 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)cn1 ZINC000340437707 1017799574 /nfs/dbraw/zinc/79/95/74/1017799574.db2.gz WNPVBNWAWCDORK-VHSXEESVSA-N 1 2 339.773 3.691 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)cs1 ZINC000246367814 1017848053 /nfs/dbraw/zinc/84/80/53/1017848053.db2.gz HGKJEVDTPLDWBQ-GOEBONIOSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cs1 ZINC000246367814 1017848073 /nfs/dbraw/zinc/84/80/73/1017848073.db2.gz HGKJEVDTPLDWBQ-GOEBONIOSA-N 1 2 326.506 3.878 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000155470547 1017852379 /nfs/dbraw/zinc/85/23/79/1017852379.db2.gz RSSSTYRUNWJQQI-HKUYNNGSSA-N 1 2 325.456 3.542 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000091794136 1032736045 /nfs/dbraw/zinc/73/60/45/1032736045.db2.gz COFLDGBNCMAPHO-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)no1 ZINC000659849358 1018033609 /nfs/dbraw/zinc/03/36/09/1018033609.db2.gz PWOQMOGEZNVIKE-OAHLLOKOSA-N 1 2 328.441 3.757 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2CCc2nsc3ccccc32)no1 ZINC000659849358 1018033624 /nfs/dbraw/zinc/03/36/24/1018033624.db2.gz PWOQMOGEZNVIKE-OAHLLOKOSA-N 1 2 328.441 3.757 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cc(Br)cn2C)s1 ZINC000091961345 1032747829 /nfs/dbraw/zinc/74/78/29/1032747829.db2.gz KTNJYPCZORKIKO-UHFFFAOYSA-N 1 2 342.306 4.000 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(Br)cn2C)s1 ZINC000091961345 1032747844 /nfs/dbraw/zinc/74/78/44/1032747844.db2.gz KTNJYPCZORKIKO-UHFFFAOYSA-N 1 2 342.306 4.000 20 0 EHADLO COc1ncc(Br)cc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000659857755 1018149552 /nfs/dbraw/zinc/14/95/52/1018149552.db2.gz QAGSICSRXNWJMN-SNVBAGLBSA-N 1 2 325.206 3.639 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000659857755 1018149564 /nfs/dbraw/zinc/14/95/64/1018149564.db2.gz QAGSICSRXNWJMN-SNVBAGLBSA-N 1 2 325.206 3.639 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccncc1F ZINC000340500640 1018155029 /nfs/dbraw/zinc/15/50/29/1018155029.db2.gz GFSULQPLKOWUSX-KPZWWZAWSA-N 1 2 328.366 3.534 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000066796010 1018167085 /nfs/dbraw/zinc/16/70/85/1018167085.db2.gz ZINOHYUCOSJXKQ-KRWDZBQOSA-N 1 2 330.501 3.970 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000066796010 1018167093 /nfs/dbraw/zinc/16/70/93/1018167093.db2.gz ZINOHYUCOSJXKQ-KRWDZBQOSA-N 1 2 330.501 3.970 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)NC1CCC(c2ccccc2)CC1 ZINC000047501062 1018192760 /nfs/dbraw/zinc/19/27/60/1018192760.db2.gz KLCCOZLSDHASCW-UHFFFAOYSA-N 1 2 338.455 3.519 20 0 EHADLO CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377778715 1018363922 /nfs/dbraw/zinc/36/39/22/1018363922.db2.gz KDJNHMPVXYVCIV-CQSZACIVSA-N 1 2 325.437 3.703 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000278819530 1018367627 /nfs/dbraw/zinc/36/76/27/1018367627.db2.gz CDOLPGSCYKXRDL-OUAUKWLOSA-N 1 2 349.422 3.602 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377790060 1018375570 /nfs/dbraw/zinc/37/55/70/1018375570.db2.gz WLMNHCKVHNSNJR-LSDHHAIUSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377790060 1018375581 /nfs/dbraw/zinc/37/55/81/1018375581.db2.gz WLMNHCKVHNSNJR-LSDHHAIUSA-N 1 2 326.362 3.634 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccnn4C)C3)o2)cc1 ZINC000897558204 1032765720 /nfs/dbraw/zinc/76/57/20/1032765720.db2.gz FRITYCAPLUJREC-HXUWFJFHSA-N 1 2 337.423 3.562 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4ccnn4C)C3)o2)cc1 ZINC000897558204 1032765734 /nfs/dbraw/zinc/76/57/34/1032765734.db2.gz FRITYCAPLUJREC-HXUWFJFHSA-N 1 2 337.423 3.562 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000606583500 1032766810 /nfs/dbraw/zinc/76/68/10/1032766810.db2.gz DKBISNIXEJCHBG-GOSISDBHSA-N 1 2 334.423 3.963 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000606582868 1032767470 /nfs/dbraw/zinc/76/74/70/1032767470.db2.gz GVQPCIKGAWXAGL-UHFFFAOYSA-N 1 2 338.386 3.712 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000377864539 1018489682 /nfs/dbraw/zinc/48/96/82/1018489682.db2.gz NGRAPMVNIGNTCX-UHFFFAOYSA-N 1 2 342.349 3.687 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1F ZINC000606582778 1032768402 /nfs/dbraw/zinc/76/84/02/1032768402.db2.gz CQOMEWDHCJYFKG-OAHLLOKOSA-N 1 2 330.338 3.885 20 0 EHADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131901 1018519634 /nfs/dbraw/zinc/51/96/34/1018519634.db2.gz SMACFXJGWLWIRR-FUHWJXTLSA-N 1 2 327.428 3.547 20 0 EHADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131901 1018519649 /nfs/dbraw/zinc/51/96/49/1018519649.db2.gz SMACFXJGWLWIRR-FUHWJXTLSA-N 1 2 327.428 3.547 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000613680584 1018523120 /nfs/dbraw/zinc/52/31/20/1018523120.db2.gz XLKNUXFZMVILSA-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000613680584 1018523132 /nfs/dbraw/zinc/52/31/32/1018523132.db2.gz XLKNUXFZMVILSA-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO COCCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](C)c1ccccc1 ZINC000606583724 1032769751 /nfs/dbraw/zinc/76/97/51/1032769751.db2.gz LPWSBMRFDMZUPG-HNNXBMFYSA-N 1 2 338.411 3.576 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000606584298 1032770502 /nfs/dbraw/zinc/77/05/02/1032770502.db2.gz NHUZDMNEYDRVON-QGZVFWFLSA-N 1 2 338.386 3.712 20 0 EHADLO Cc1cncc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000340595135 1018603599 /nfs/dbraw/zinc/60/35/99/1018603599.db2.gz JFYXBKOSFVVWBH-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000580092628 1018633752 /nfs/dbraw/zinc/63/37/52/1018633752.db2.gz LRDXLPIFRFUQDE-UHFFFAOYSA-N 1 2 325.387 3.834 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000606642235 1032777669 /nfs/dbraw/zinc/77/76/69/1032777669.db2.gz RTROXSCXYADFLP-SJLPKXTDSA-N 1 2 344.503 3.661 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)CCC(=O)N2 ZINC000537457856 1032782499 /nfs/dbraw/zinc/78/24/99/1032782499.db2.gz NAHNFPNUSUQGFI-CQSZACIVSA-N 1 2 336.439 3.740 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000255198390 1018805705 /nfs/dbraw/zinc/80/57/05/1018805705.db2.gz BEHXKJYUHQFGGW-MWWKQMNYSA-N 1 2 329.831 3.549 20 0 EHADLO CC(C)Oc1ccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000255238911 1018835506 /nfs/dbraw/zinc/83/55/06/1018835506.db2.gz YROIKDWOIXCNBA-YVMONPNESA-N 1 2 339.439 3.547 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000580271042 1018906473 /nfs/dbraw/zinc/90/64/73/1018906473.db2.gz LHHLRLRHPMBAKX-JJRVBVJISA-N 1 2 346.862 3.890 20 0 EHADLO CCN(Cc1cccs1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340620786 1018920429 /nfs/dbraw/zinc/92/04/29/1018920429.db2.gz WWNLHVLPCUCYGP-UHFFFAOYSA-N 1 2 325.437 3.655 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000255319464 1018939731 /nfs/dbraw/zinc/93/97/31/1018939731.db2.gz XKXAAHBCESAJDO-FRAJWHGFSA-N 1 2 329.831 3.659 20 0 EHADLO O=C(N1CC[NH+](Cc2ccsc2)CC1)C1(C(F)(F)F)CCCC1 ZINC000580297202 1018945359 /nfs/dbraw/zinc/94/53/59/1018945359.db2.gz YGALTDJFIHBORH-UHFFFAOYSA-N 1 2 346.418 3.515 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\C=C(Cl)Cl ZINC000897566594 1032798177 /nfs/dbraw/zinc/79/81/77/1032798177.db2.gz SLJRZUBFRTWELT-YWEYNIOJSA-N 1 2 330.259 3.559 20 0 EHADLO COc1ccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000255344848 1018967243 /nfs/dbraw/zinc/96/72/43/1018967243.db2.gz NKOLKCSKJDHWMY-YHYXMXQVSA-N 1 2 349.390 3.541 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1F)c1ccccc1 ZINC000513093902 1019002981 /nfs/dbraw/zinc/00/29/81/1019002981.db2.gz DXLUQZKZLRJMSA-MRXNPFEDSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1F)c1ccccc1 ZINC000513093902 1019003003 /nfs/dbraw/zinc/00/30/03/1019003003.db2.gz DXLUQZKZLRJMSA-MRXNPFEDSA-N 1 2 344.405 3.749 20 0 EHADLO COc1cccc2c(NCc3cn(C)nc3C(F)(F)F)cc[nH+]c12 ZINC000275825506 1019006825 /nfs/dbraw/zinc/00/68/25/1019006825.db2.gz NMLOJGCDJPRFKJ-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO CCC[C@@H](CC1CCCC1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927768427 1019007508 /nfs/dbraw/zinc/00/75/08/1019007508.db2.gz QGJIJWPRZBJDEF-HNNXBMFYSA-N 1 2 337.533 3.818 20 0 EHADLO Cc1nn(-c2ccccc2)cc1CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000513129497 1019040000 /nfs/dbraw/zinc/04/00/00/1019040000.db2.gz LETWCEGVDCYUJU-UHFFFAOYSA-N 1 2 349.482 3.869 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000728290817 1019046343 /nfs/dbraw/zinc/04/63/43/1019046343.db2.gz JXEWJXAGMVKFGG-UHFFFAOYSA-N 1 2 329.753 3.871 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc(Cl)c(F)cc2Cl)n1 ZINC000340647876 1019066771 /nfs/dbraw/zinc/06/67/71/1019066771.db2.gz UBBDRJVQFOFMQO-UHFFFAOYSA-N 1 2 327.146 3.507 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccs1 ZINC000052560168 1019079172 /nfs/dbraw/zinc/07/91/72/1019079172.db2.gz XWJBLBRGPFGAQK-HNNXBMFYSA-N 1 2 334.489 3.811 20 0 EHADLO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181253 1019083173 /nfs/dbraw/zinc/08/31/73/1019083173.db2.gz KXPJNLMTUSTWCW-FZMZJTMJSA-N 1 2 333.819 3.752 20 0 EHADLO COCCCC[N@H+](C)[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000419388809 1019110909 /nfs/dbraw/zinc/11/09/09/1019110909.db2.gz OHDDSAFCQKYQPV-AWEZNQCLSA-N 1 2 334.243 3.566 20 0 EHADLO COCCCC[N@@H+](C)[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000419388809 1019110923 /nfs/dbraw/zinc/11/09/23/1019110923.db2.gz OHDDSAFCQKYQPV-AWEZNQCLSA-N 1 2 334.243 3.566 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@]3(CC=CCC3)C1)C2 ZINC000476070495 1032809954 /nfs/dbraw/zinc/80/99/54/1032809954.db2.gz HZRJWXPAAWXOTK-HRAATJIYSA-N 1 2 341.499 3.987 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@]3(CC=CCC3)C1)CC2 ZINC000476070495 1032809963 /nfs/dbraw/zinc/80/99/63/1032809963.db2.gz HZRJWXPAAWXOTK-HRAATJIYSA-N 1 2 341.499 3.987 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000476070996 1032813304 /nfs/dbraw/zinc/81/33/04/1032813304.db2.gz KAGFHYFDJPACQB-CQSZACIVSA-N 1 2 349.425 3.908 20 0 EHADLO COC[C@@H](CCNc1[nH+]ccc2cc(C(F)(F)F)ccc21)OC ZINC000664161501 1019201607 /nfs/dbraw/zinc/20/16/07/1019201607.db2.gz LQPMLMJZFHSQGK-CYBMUJFWSA-N 1 2 328.334 3.717 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000580372605 1019211093 /nfs/dbraw/zinc/21/10/93/1019211093.db2.gz WHSACLYACHOXAL-CVEARBPZSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000580372605 1019211098 /nfs/dbraw/zinc/21/10/98/1019211098.db2.gz WHSACLYACHOXAL-CVEARBPZSA-N 1 2 341.398 3.686 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1F ZINC000449565021 1032816176 /nfs/dbraw/zinc/81/61/76/1032816176.db2.gz FUQGPKHJEUVEAR-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO CC(C)(C)CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729228653 1019239255 /nfs/dbraw/zinc/23/92/55/1019239255.db2.gz VJBYPTIWCGKSOJ-UHFFFAOYSA-N 1 2 328.460 3.888 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000729228599 1019240033 /nfs/dbraw/zinc/24/00/33/1019240033.db2.gz UTMPYMJAZGDMAG-LJQANCHMSA-N 1 2 349.438 3.608 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000476070993 1032812119 /nfs/dbraw/zinc/81/21/19/1032812119.db2.gz KAGFHYFDJPACQB-AWEZNQCLSA-N 1 2 349.425 3.908 20 0 EHADLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)c(C)n1 ZINC001211039257 1019256666 /nfs/dbraw/zinc/25/66/66/1019256666.db2.gz QVCXSVWNQLWZPX-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528785870 1032819940 /nfs/dbraw/zinc/81/99/40/1032819940.db2.gz CPKYHQNBIRIBCX-HNNXBMFYSA-N 1 2 333.819 3.571 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528785870 1032819947 /nfs/dbraw/zinc/81/99/47/1032819947.db2.gz CPKYHQNBIRIBCX-HNNXBMFYSA-N 1 2 333.819 3.571 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1cccnc1 ZINC000155746439 1019372207 /nfs/dbraw/zinc/37/22/07/1019372207.db2.gz GTFUVIOJCJCMRA-GFCCVEGCSA-N 1 2 337.345 3.559 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cccnc1 ZINC000155746439 1019372219 /nfs/dbraw/zinc/37/22/19/1019372219.db2.gz GTFUVIOJCJCMRA-GFCCVEGCSA-N 1 2 337.345 3.559 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000054153258 1019381922 /nfs/dbraw/zinc/38/19/22/1019381922.db2.gz HGIYPMMGSXWJGB-UHFFFAOYSA-N 1 2 325.343 3.626 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000433603896 1019430976 /nfs/dbraw/zinc/43/09/76/1019430976.db2.gz ODFVRNVNCCXFNK-SFHVURJKSA-N 1 2 346.862 3.776 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000433603896 1019430986 /nfs/dbraw/zinc/43/09/86/1019430986.db2.gz ODFVRNVNCCXFNK-SFHVURJKSA-N 1 2 346.862 3.776 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000047931426 1019501689 /nfs/dbraw/zinc/50/16/89/1019501689.db2.gz LCOCYTVRLFGMLJ-ZDUSSCGKSA-N 1 2 337.448 3.529 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683966949 1019535592 /nfs/dbraw/zinc/53/55/92/1019535592.db2.gz FDYHQSKXUGWBOH-OAHLLOKOSA-N 1 2 342.395 3.729 20 0 EHADLO Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000513342890 1019561539 /nfs/dbraw/zinc/56/15/39/1019561539.db2.gz KSDRSGSTJSVILP-SFHVURJKSA-N 1 2 325.362 3.928 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Sc3ccccn3)o2)C[C@H](C2CC2)O1 ZINC000513342144 1019561748 /nfs/dbraw/zinc/56/17/48/1019561748.db2.gz BZSRDWHXSJVADF-XJKSGUPXSA-N 1 2 330.453 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Sc3ccccn3)o2)C[C@H](C2CC2)O1 ZINC000513342144 1019561757 /nfs/dbraw/zinc/56/17/57/1019561757.db2.gz BZSRDWHXSJVADF-XJKSGUPXSA-N 1 2 330.453 3.825 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCc2ccc(Br)s2)[nH+]1 ZINC000433789583 1019623944 /nfs/dbraw/zinc/62/39/44/1019623944.db2.gz NYCCKRONDQQPKJ-UHFFFAOYSA-N 1 2 337.246 3.697 20 0 EHADLO COC(=O)[C@H]([NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513459097 1019716591 /nfs/dbraw/zinc/71/65/91/1019716591.db2.gz XOUIXNNWAKGDIN-XHDPSFHLSA-N 1 2 329.362 3.740 20 0 EHADLO Cc1cn2cc(NC(=O)NC3CC(C)(c4ccccc4)C3)ccc2[nH+]1 ZINC000580637728 1019780856 /nfs/dbraw/zinc/78/08/56/1019780856.db2.gz HMLWKLQHSKKYJG-UHFFFAOYSA-N 1 2 334.423 3.885 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001167428506 1019807645 /nfs/dbraw/zinc/80/76/45/1019807645.db2.gz BQKRIFNAXFCGGX-GDBMZVCRSA-N 1 2 327.299 3.777 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001167428506 1019807662 /nfs/dbraw/zinc/80/76/62/1019807662.db2.gz BQKRIFNAXFCGGX-GDBMZVCRSA-N 1 2 327.299 3.777 20 0 EHADLO Fc1ncc(Br)cc1Nc1ccccc1-n1cc[nH+]c1 ZINC001211269483 1019881719 /nfs/dbraw/zinc/88/17/19/1019881719.db2.gz KBYAYPPUFGKJIJ-UHFFFAOYSA-N 1 2 333.164 3.913 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606841804 1032861153 /nfs/dbraw/zinc/86/11/53/1032861153.db2.gz LNNDUKAVHIJEKH-RBUKOAKNSA-N 1 2 325.456 3.562 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)SCc2ccccc2)c1C ZINC000050448036 1019931944 /nfs/dbraw/zinc/93/19/44/1019931944.db2.gz OXBNRWMBWXJRJL-OAHLLOKOSA-N 1 2 344.480 3.645 20 0 EHADLO CCOc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000340789645 1019988017 /nfs/dbraw/zinc/98/80/17/1019988017.db2.gz GUKDSUSIKLXLCW-GOSISDBHSA-N 1 2 335.407 3.969 20 0 EHADLO CCSCc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000455858130 1032873338 /nfs/dbraw/zinc/87/33/38/1032873338.db2.gz KSPZUOFATUJKNO-OAHLLOKOSA-N 1 2 344.484 3.695 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C ZINC000280168452 1020148905 /nfs/dbraw/zinc/14/89/05/1020148905.db2.gz YZBXESOMHKCSPM-ZFWWWQNUSA-N 1 2 339.439 3.965 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000580862274 1020154579 /nfs/dbraw/zinc/15/45/79/1020154579.db2.gz OWVIWZDPDFIPRS-IUODEOHRSA-N 1 2 343.818 3.595 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000580862274 1020154586 /nfs/dbraw/zinc/15/45/86/1020154586.db2.gz OWVIWZDPDFIPRS-IUODEOHRSA-N 1 2 343.818 3.595 20 0 EHADLO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc(C)c1F ZINC001143384676 1020232492 /nfs/dbraw/zinc/23/24/92/1020232492.db2.gz LICHYBMIXBZBBU-INIZCTEOSA-N 1 2 326.406 3.748 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345452174 1020266812 /nfs/dbraw/zinc/26/68/12/1020266812.db2.gz GTSGNNZQCYFYSN-BFHYXJOUSA-N 1 2 348.855 3.580 20 0 EHADLO CC(C)(C)n1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC001125480049 1020283775 /nfs/dbraw/zinc/28/37/75/1020283775.db2.gz AOUBZKAONFRNKF-UHFFFAOYSA-N 1 2 343.818 3.730 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC000510362633 1020299318 /nfs/dbraw/zinc/29/93/18/1020299318.db2.gz OOIRTVMOLBDRLN-IKGGRYGDSA-N 1 2 329.488 3.629 20 0 EHADLO CCCC1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000345535435 1020331432 /nfs/dbraw/zinc/33/14/32/1020331432.db2.gz CDGDCNYXBWUXTC-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO COc1ccccc1Cc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000345540062 1020347160 /nfs/dbraw/zinc/34/71/60/1020347160.db2.gz GEUJXEJCDZUIAX-UHFFFAOYSA-N 1 2 346.390 3.581 20 0 EHADLO CN(C)c1ncc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC000093532560 1032895861 /nfs/dbraw/zinc/89/58/61/1032895861.db2.gz UXCSXDATGMWXIL-UHFFFAOYSA-N 1 2 347.328 3.526 20 0 EHADLO CN(C)c1ncc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC000093532560 1032895879 /nfs/dbraw/zinc/89/58/79/1032895879.db2.gz UXCSXDATGMWXIL-UHFFFAOYSA-N 1 2 347.328 3.526 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000528825633 1032900477 /nfs/dbraw/zinc/90/04/77/1032900477.db2.gz ILRQCTVYAPSGSO-AXUOBQJMSA-N 1 2 341.430 3.626 20 0 EHADLO CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c3cccc1c32 ZINC000345626672 1020401215 /nfs/dbraw/zinc/40/12/15/1020401215.db2.gz PEJJAYFOELAWRF-RKVPGOIHSA-N 1 2 349.478 3.862 20 0 EHADLO C[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627554 1020403194 /nfs/dbraw/zinc/40/31/94/1020403194.db2.gz PTCWZKBWISHNSO-VQIMIIECSA-N 1 2 340.492 3.558 20 0 EHADLO C[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627554 1020403200 /nfs/dbraw/zinc/40/32/00/1020403200.db2.gz PTCWZKBWISHNSO-VQIMIIECSA-N 1 2 340.492 3.558 20 0 EHADLO O=C(/C=C\C1CCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000255265734 1020418218 /nfs/dbraw/zinc/41/82/18/1020418218.db2.gz XEIQDCXXABIXOG-CLFYSBASSA-N 1 2 327.403 3.764 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(Cc2ccccc2)no1 ZINC000345656480 1020430675 /nfs/dbraw/zinc/43/06/75/1020430675.db2.gz FKJJWUNDQAQNSO-UHFFFAOYSA-N 1 2 340.333 3.645 20 0 EHADLO Fc1cc(CNc2ncncc2-c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000340863256 1020475783 /nfs/dbraw/zinc/47/57/83/1020475783.db2.gz ORFFIFJMSCDTLS-UHFFFAOYSA-N 1 2 345.381 3.502 20 0 EHADLO CCCn1c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000345748091 1020495165 /nfs/dbraw/zinc/49/51/65/1020495165.db2.gz WIOZANJMTCJWMH-GOSISDBHSA-N 1 2 349.434 3.740 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@H](c2ccsc2)O1 ZINC000093768761 1032907401 /nfs/dbraw/zinc/90/74/01/1032907401.db2.gz ZDAPEUGLQIGRLE-RDTXWAMCSA-N 1 2 345.464 3.871 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H](c2ccsc2)O1 ZINC000093768761 1032907413 /nfs/dbraw/zinc/90/74/13/1032907413.db2.gz ZDAPEUGLQIGRLE-RDTXWAMCSA-N 1 2 345.464 3.871 20 0 EHADLO CCCC[C@@H](CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126268327 1020532561 /nfs/dbraw/zinc/53/25/61/1020532561.db2.gz WOGQGAKPSMDOLR-GOSISDBHSA-N 1 2 332.488 3.982 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280656121 1020549210 /nfs/dbraw/zinc/54/92/10/1020549210.db2.gz KPJRSXZEVAZCJM-BEFAXECRSA-N 1 2 349.471 3.707 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000280728016 1020615150 /nfs/dbraw/zinc/61/51/50/1020615150.db2.gz CTCUVRKRCALJLN-SFHVURJKSA-N 1 2 326.444 3.589 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(NC(C)=O)c1 ZINC000280728016 1020615151 /nfs/dbraw/zinc/61/51/51/1020615151.db2.gz CTCUVRKRCALJLN-SFHVURJKSA-N 1 2 326.444 3.589 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345956418 1020630027 /nfs/dbraw/zinc/63/00/27/1020630027.db2.gz BHHGFYNAMOQSCM-LZLYRXPVSA-N 1 2 343.496 3.721 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000606928631 1032914804 /nfs/dbraw/zinc/91/48/04/1032914804.db2.gz OMSBIBLZBBTVOW-OAHLLOKOSA-N 1 2 343.496 3.584 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000606928631 1032914817 /nfs/dbraw/zinc/91/48/17/1032914817.db2.gz OMSBIBLZBBTVOW-OAHLLOKOSA-N 1 2 343.496 3.584 20 0 EHADLO CCCOc1cccc2c(NC[C@H](CO)c3cccnc3)cc[nH+]c12 ZINC000340940258 1020657672 /nfs/dbraw/zinc/65/76/72/1020657672.db2.gz SJGVUPJRNWPOFY-MRXNPFEDSA-N 1 2 337.423 3.607 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419486871 1020687992 /nfs/dbraw/zinc/68/79/92/1020687992.db2.gz FXYXQJYDEIWVHP-JKSUJKDBSA-N 1 2 328.460 3.691 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncc(-c3ccccc3)o2)C2CC2)cn1 ZINC000528849804 1032927231 /nfs/dbraw/zinc/92/72/31/1032927231.db2.gz VTAGKXKESCKNCJ-FQEVSTJZSA-N 1 2 335.407 3.986 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000933243050 1020801090 /nfs/dbraw/zinc/80/10/90/1020801090.db2.gz HFLKBCDLORJEKV-LDLYASANSA-N 1 2 342.483 3.592 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CC=CCC1 ZINC000933243263 1020801170 /nfs/dbraw/zinc/80/11/70/1020801170.db2.gz JLQUIIHVQSCPFU-KRWDZBQOSA-N 1 2 328.456 3.512 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000581407976 1020813402 /nfs/dbraw/zinc/81/34/02/1020813402.db2.gz YGPYRYZHQVCZSV-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000581407976 1020813411 /nfs/dbraw/zinc/81/34/11/1020813411.db2.gz YGPYRYZHQVCZSV-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cccc(Br)c1C)C2 ZINC000933256369 1020830751 /nfs/dbraw/zinc/83/07/51/1020830751.db2.gz BITRXUZUNYCALK-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO COc1ccc(CO)cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001211514430 1020892818 /nfs/dbraw/zinc/89/28/18/1020892818.db2.gz JMAKLQFWAVNCIX-UHFFFAOYSA-N 1 2 345.399 3.673 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000276214308 1020908111 /nfs/dbraw/zinc/90/81/11/1020908111.db2.gz IDPOWWZAUGINBN-CYBMUJFWSA-N 1 2 339.361 3.823 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000276214308 1020908115 /nfs/dbraw/zinc/90/81/15/1020908115.db2.gz IDPOWWZAUGINBN-CYBMUJFWSA-N 1 2 339.361 3.823 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)on1 ZINC000602505786 1032940326 /nfs/dbraw/zinc/94/03/26/1032940326.db2.gz UKLBTLVPNGOVMT-ZETCQYMHSA-N 1 2 347.173 3.758 20 0 EHADLO CCOc1cc(/C=C\C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1O ZINC000588412370 1020916510 /nfs/dbraw/zinc/91/65/10/1020916510.db2.gz FFFAGUNJEJVOMV-CLFYSBASSA-N 1 2 349.390 3.629 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000606975859 1032946117 /nfs/dbraw/zinc/94/61/17/1032946117.db2.gz SMZRKTKQKQIIFW-INIZCTEOSA-N 1 2 344.434 3.876 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000276294706 1021004843 /nfs/dbraw/zinc/00/48/43/1021004843.db2.gz MKQASODGNSYOBJ-UONOGXRCSA-N 1 2 329.448 3.599 20 0 EHADLO CCCc1ccc(-c2nc(NC(=O)Cn3cc[nH+]c3)sc2C)cc1 ZINC000073405810 1021059039 /nfs/dbraw/zinc/05/90/39/1021059039.db2.gz XOKFDNJTTYAXNF-UHFFFAOYSA-N 1 2 340.452 3.906 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760434501 1032951512 /nfs/dbraw/zinc/95/15/12/1032951512.db2.gz XUPUOXZNJHINNQ-RDJZCZTQSA-N 1 2 335.492 3.542 20 0 EHADLO O=c1[nH]c(CC[N@H+]2CCc3sc(Cl)cc3C2)nc2ccccc12 ZINC000581545949 1021073084 /nfs/dbraw/zinc/07/30/84/1021073084.db2.gz LYSSYCKQFZIVSO-UHFFFAOYSA-N 1 2 345.855 3.651 20 0 EHADLO O=c1[nH]c(CC[N@@H+]2CCc3sc(Cl)cc3C2)nc2ccccc12 ZINC000581545949 1021073090 /nfs/dbraw/zinc/07/30/90/1021073090.db2.gz LYSSYCKQFZIVSO-UHFFFAOYSA-N 1 2 345.855 3.651 20 0 EHADLO FC(F)Oc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000094137935 1032953278 /nfs/dbraw/zinc/95/32/78/1032953278.db2.gz IHLXIKMFTIISIT-UHFFFAOYSA-N 1 2 330.338 3.540 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001125515851 1021094316 /nfs/dbraw/zinc/09/43/16/1021094316.db2.gz QOTJJZPYOTZINZ-WOJBJXKFSA-N 1 2 349.409 3.821 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc3ccc(F)cc3o2)c1 ZINC000341206352 1021097313 /nfs/dbraw/zinc/09/73/13/1021097313.db2.gz HZRDWSNMULYFND-LLVKDONJSA-N 1 2 327.359 3.776 20 0 EHADLO CCC[C@@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005695 1021112671 /nfs/dbraw/zinc/11/26/71/1021112671.db2.gz NTYDWASFFIIHIF-MRXNPFEDSA-N 1 2 346.519 3.599 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000341219900 1021120659 /nfs/dbraw/zinc/12/06/59/1021120659.db2.gz LJFXAASEIYILTF-UWVGGRQHSA-N 1 2 329.322 3.942 20 0 EHADLO CCOc1c(OC)cc(C[NH2+][C@H](C)c2csc(C)n2)cc1OC ZINC000341220240 1021121129 /nfs/dbraw/zinc/12/11/29/1021121129.db2.gz PMTRPZJUYCLLNI-LLVKDONJSA-N 1 2 336.457 3.718 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000341220523 1021121576 /nfs/dbraw/zinc/12/15/76/1021121576.db2.gz NQZLDMKTUXMEQT-LBPRGKRZSA-N 1 2 327.384 3.806 20 0 EHADLO CCc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000341235512 1021147961 /nfs/dbraw/zinc/14/79/61/1021147961.db2.gz GIJGVPOGCRZWAK-UHFFFAOYSA-N 1 2 325.456 3.778 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000505880716 1021214350 /nfs/dbraw/zinc/21/43/50/1021214350.db2.gz XRWDZQSVKPBXHP-ZBTGYSDGSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000505880716 1021214355 /nfs/dbraw/zinc/21/43/55/1021214355.db2.gz XRWDZQSVKPBXHP-ZBTGYSDGSA-N 1 2 327.453 3.568 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(-n2cncn2)cc1Cl ZINC000516248215 1021227030 /nfs/dbraw/zinc/22/70/30/1021227030.db2.gz TVLXJPWDOFYLQT-NSHDSACASA-N 1 2 343.818 3.637 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581637460 1021229005 /nfs/dbraw/zinc/22/90/05/1021229005.db2.gz XREPCKANJVAAMU-DZGCQCFKSA-N 1 2 338.386 3.883 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000507385254 1021237083 /nfs/dbraw/zinc/23/70/83/1021237083.db2.gz IKKLQSZPYLGNQA-UHFFFAOYSA-N 1 2 340.471 3.572 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341265783 1021242169 /nfs/dbraw/zinc/24/21/69/1021242169.db2.gz CHOOSVAYOBSYBN-IBGZPJMESA-N 1 2 331.419 3.849 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1F ZINC000518545219 1021287688 /nfs/dbraw/zinc/28/76/88/1021287688.db2.gz XMKMAEZPENEYFV-UHFFFAOYSA-N 1 2 339.432 3.553 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1F ZINC000518545219 1021287702 /nfs/dbraw/zinc/28/77/02/1021287702.db2.gz XMKMAEZPENEYFV-UHFFFAOYSA-N 1 2 339.432 3.553 20 0 EHADLO Cn1cccc1C(=O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439312914 1021341926 /nfs/dbraw/zinc/34/19/26/1021341926.db2.gz DAQARGKNMHSNHR-UHFFFAOYSA-N 1 2 334.822 3.822 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c(F)c1 ZINC001143579243 1021370990 /nfs/dbraw/zinc/37/09/90/1021370990.db2.gz JWMNHQKOZUCMAR-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c(F)c1 ZINC001143579243 1021371007 /nfs/dbraw/zinc/37/10/07/1021371007.db2.gz JWMNHQKOZUCMAR-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COCC(C)(C)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000426368127 1021402823 /nfs/dbraw/zinc/40/28/23/1021402823.db2.gz XFTOGWYIOCKDRD-OAHLLOKOSA-N 1 2 331.378 3.751 20 0 EHADLO COCC(C)(C)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000426368127 1021402830 /nfs/dbraw/zinc/40/28/30/1021402830.db2.gz XFTOGWYIOCKDRD-OAHLLOKOSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000507670021 1021426333 /nfs/dbraw/zinc/42/63/33/1021426333.db2.gz RUWCCPDQPIZZKU-KRWDZBQOSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000507670021 1021426338 /nfs/dbraw/zinc/42/63/38/1021426338.db2.gz RUWCCPDQPIZZKU-KRWDZBQOSA-N 1 2 330.497 3.785 20 0 EHADLO Cc1nc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)sc1C ZINC000341326542 1021433193 /nfs/dbraw/zinc/43/31/93/1021433193.db2.gz XIBITHRXVOBSSI-CQSZACIVSA-N 1 2 326.425 3.644 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000341325638 1021439833 /nfs/dbraw/zinc/43/98/33/1021439833.db2.gz VACFZRMVAOLNRG-LBPRGKRZSA-N 1 2 327.409 3.751 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000516473852 1021464807 /nfs/dbraw/zinc/46/48/07/1021464807.db2.gz YISPJPFXSGPLSQ-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO CC(C)(CF)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425673257 1021466661 /nfs/dbraw/zinc/46/66/61/1021466661.db2.gz MYUFKMWITWVFEJ-UHFFFAOYSA-N 1 2 330.407 3.756 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(C)cccc3C2)cc1Cl ZINC000729477266 1021480464 /nfs/dbraw/zinc/48/04/64/1021480464.db2.gz GBELCQLFLGNGSC-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCc3c(C)cccc3C2)cc1Cl ZINC000729477266 1021480473 /nfs/dbraw/zinc/48/04/73/1021480473.db2.gz GBELCQLFLGNGSC-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CC(C)c1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000505942011 1021488022 /nfs/dbraw/zinc/48/80/22/1021488022.db2.gz QGWIDOXGSKHSEH-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000015294866 1021511385 /nfs/dbraw/zinc/51/13/85/1021511385.db2.gz MTIDHFMBSHVRNQ-UHFFFAOYSA-N 1 2 326.440 3.718 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000015294866 1021511393 /nfs/dbraw/zinc/51/13/93/1021511393.db2.gz MTIDHFMBSHVRNQ-UHFFFAOYSA-N 1 2 326.440 3.718 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)c1 ZINC000550299955 1021521158 /nfs/dbraw/zinc/52/11/58/1021521158.db2.gz NJQZYIYABZPRBC-MRXNPFEDSA-N 1 2 346.515 3.973 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000607094141 1032986363 /nfs/dbraw/zinc/98/63/63/1032986363.db2.gz ONDJPEKXKPSSGA-MSOLQXFVSA-N 1 2 347.503 3.640 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000518774244 1021532422 /nfs/dbraw/zinc/53/24/22/1021532422.db2.gz XZPLMTMCDWMFNV-VQTJNVASSA-N 1 2 337.467 3.764 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)c1ccc(Cl)s1 ZINC000429658673 1021546160 /nfs/dbraw/zinc/54/61/60/1021546160.db2.gz PJMKRZCKOUOQQI-UHFFFAOYSA-N 1 2 331.784 3.613 20 0 EHADLO Cc1cccc([C@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1C ZINC000437084754 1021554755 /nfs/dbraw/zinc/55/47/55/1021554755.db2.gz MUVSEAVNJNLWLX-INIZCTEOSA-N 1 2 338.430 3.933 20 0 EHADLO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437104432 1021557534 /nfs/dbraw/zinc/55/75/34/1021557534.db2.gz OTWJGKPDZFNOBS-LJQANCHMSA-N 1 2 336.414 3.551 20 0 EHADLO CCc1ccnc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000516584324 1021572237 /nfs/dbraw/zinc/57/22/37/1021572237.db2.gz VZUSSOCOPZZOIA-MRXNPFEDSA-N 1 2 342.830 3.998 20 0 EHADLO Cc1c[nH+]c(CNc2ccccc2CN2CCc3ccccc32)n1C ZINC000341371162 1021579650 /nfs/dbraw/zinc/57/96/50/1021579650.db2.gz ZPLAISQVBGLGDP-UHFFFAOYSA-N 1 2 332.451 3.903 20 0 EHADLO O=C(C1CCCCC1)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000581722851 1021615993 /nfs/dbraw/zinc/61/59/93/1021615993.db2.gz FPCRZUMXAKQCEN-UHFFFAOYSA-N 1 2 341.430 3.603 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518841110 1021619471 /nfs/dbraw/zinc/61/94/71/1021619471.db2.gz ILUUIINNTHARBM-GHMZBOCLSA-N 1 2 346.805 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518841110 1021619477 /nfs/dbraw/zinc/61/94/77/1021619477.db2.gz ILUUIINNTHARBM-GHMZBOCLSA-N 1 2 346.805 3.653 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000505994885 1021655135 /nfs/dbraw/zinc/65/51/35/1021655135.db2.gz FNONYUVOSQFMGK-OAHLLOKOSA-N 1 2 342.487 3.804 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000516712840 1021683766 /nfs/dbraw/zinc/68/37/66/1021683766.db2.gz JTGMDPSOOOPPTA-CYBMUJFWSA-N 1 2 337.876 3.614 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000516712841 1021684191 /nfs/dbraw/zinc/68/41/91/1021684191.db2.gz JTGMDPSOOOPPTA-ZDUSSCGKSA-N 1 2 337.876 3.614 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2CCc3c(C)cccc3C2)[nH]c(C)c1C(C)=O ZINC000729480438 1021700566 /nfs/dbraw/zinc/70/05/66/1021700566.db2.gz ZEYZRXPUGBHDAC-UHFFFAOYSA-N 1 2 338.451 3.638 20 0 EHADLO CCc1c(C(=O)C[N@H+]2CCc3c(C)cccc3C2)[nH]c(C)c1C(C)=O ZINC000729480438 1021700583 /nfs/dbraw/zinc/70/05/83/1021700583.db2.gz ZEYZRXPUGBHDAC-UHFFFAOYSA-N 1 2 338.451 3.638 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000897619670 1032997464 /nfs/dbraw/zinc/99/74/64/1032997464.db2.gz SRNLAWQUIGXJPF-NVXWUHKLSA-N 1 2 329.419 3.518 20 0 EHADLO O=C(Cn1cc[nH+]c1)NCC1(c2ccccc2Cl)CCCCC1 ZINC000130159765 1021717444 /nfs/dbraw/zinc/71/74/44/1021717444.db2.gz YLDMVNPLHJYCOY-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289357862 1021718413 /nfs/dbraw/zinc/71/84/13/1021718413.db2.gz YHFRMGZIEVAMAF-ZDUSSCGKSA-N 1 2 348.468 3.893 20 0 EHADLO Cc1nc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000519846722 1021721110 /nfs/dbraw/zinc/72/11/10/1021721110.db2.gz WDVRJVKAIPIFGG-DYXWJJEUSA-N 1 2 349.478 3.673 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccsc1 ZINC000127290413 1021729192 /nfs/dbraw/zinc/72/91/92/1021729192.db2.gz RHHAERRDIFAEGP-NSHDSACASA-N 1 2 340.395 3.809 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccsc1 ZINC000127290413 1021729208 /nfs/dbraw/zinc/72/92/08/1021729208.db2.gz RHHAERRDIFAEGP-NSHDSACASA-N 1 2 340.395 3.809 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCCC23CC3)c(C)c1 ZINC000528881957 1033005400 /nfs/dbraw/zinc/00/54/00/1033005400.db2.gz NJCNAGLXWQDDMO-MOPGFXCFSA-N 1 2 337.467 3.938 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000891515523 1021805741 /nfs/dbraw/zinc/80/57/41/1021805741.db2.gz HFEWLDPFDINRHQ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000891515523 1021805753 /nfs/dbraw/zinc/80/57/53/1021805753.db2.gz HFEWLDPFDINRHQ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO c1cc2cccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)c2[nH]1 ZINC000341418907 1021809731 /nfs/dbraw/zinc/80/97/31/1021809731.db2.gz BMAOIZRHNPEFCY-UHFFFAOYSA-N 1 2 340.390 3.909 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH+]cn1C ZINC000276562959 1021813055 /nfs/dbraw/zinc/81/30/55/1021813055.db2.gz KEQOASNIRHTQRA-NSHDSACASA-N 1 2 340.254 3.879 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000519135452 1021885986 /nfs/dbraw/zinc/88/59/86/1021885986.db2.gz BNZQELURZWGDCV-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000441010958 1021927784 /nfs/dbraw/zinc/92/77/84/1021927784.db2.gz PDYGBSLBBCCQDD-KSSFIOAISA-N 1 2 336.426 3.750 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000441010958 1021927790 /nfs/dbraw/zinc/92/77/90/1021927790.db2.gz PDYGBSLBBCCQDD-KSSFIOAISA-N 1 2 336.426 3.750 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000276590184 1021936315 /nfs/dbraw/zinc/93/63/15/1021936315.db2.gz DFKCZEXCMZFFSV-HNNXBMFYSA-N 1 2 338.860 3.946 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cn3c(n2)CCCC3)cc1OC ZINC000925066001 1021952629 /nfs/dbraw/zinc/95/26/29/1021952629.db2.gz XDMTZALGSBDSFG-QWHCGFSZSA-N 1 2 347.434 3.788 20 0 EHADLO Cc1cc(NCCOc2ccccc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000341459546 1021958556 /nfs/dbraw/zinc/95/85/56/1021958556.db2.gz OIVLOPVQWBZTMJ-UHFFFAOYSA-N 1 2 337.345 3.594 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437578487 1021964575 /nfs/dbraw/zinc/96/45/75/1021964575.db2.gz NKUTZBMAMMTUKS-RDJZCZTQSA-N 1 2 338.476 3.961 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437578487 1021964584 /nfs/dbraw/zinc/96/45/84/1021964584.db2.gz NKUTZBMAMMTUKS-RDJZCZTQSA-N 1 2 338.476 3.961 20 0 EHADLO CCCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccccc1 ZINC000440137948 1021965625 /nfs/dbraw/zinc/96/56/25/1021965625.db2.gz UGXGYQGPRVYFDP-SJLPKXTDSA-N 1 2 325.456 3.835 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1nccn1C ZINC000593724799 1033019169 /nfs/dbraw/zinc/01/91/69/1033019169.db2.gz ZWIBMWPJUVGSTP-RRQGHBQHSA-N 1 2 341.455 3.641 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2cccnc2)CC[C@H]1c1ccccc1 ZINC000437581621 1021972663 /nfs/dbraw/zinc/97/26/63/1021972663.db2.gz LZDLXMZXOHLTGK-AHRSYUTCSA-N 1 2 338.451 3.811 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2cccnc2)CC[C@H]1c1ccccc1 ZINC000437581621 1021972679 /nfs/dbraw/zinc/97/26/79/1021972679.db2.gz LZDLXMZXOHLTGK-AHRSYUTCSA-N 1 2 338.451 3.811 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000593723601 1033020754 /nfs/dbraw/zinc/02/07/54/1033020754.db2.gz ZTPJAYSFVMBVBN-JLTOFOAXSA-N 1 2 343.471 3.668 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000341466776 1021999418 /nfs/dbraw/zinc/99/94/18/1021999418.db2.gz UVWHBACOEZXNEM-ZDUSSCGKSA-N 1 2 338.455 3.681 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425851652 1022031094 /nfs/dbraw/zinc/03/10/94/1022031094.db2.gz AYXLNFCCRMHCPL-DLBZAZTESA-N 1 2 330.476 3.542 20 0 EHADLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(Br)cc1 ZINC000506804096 1022033514 /nfs/dbraw/zinc/03/35/14/1022033514.db2.gz FWMQOTFKCYVFMQ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(Br)cc1 ZINC000506804096 1022033531 /nfs/dbraw/zinc/03/35/31/1022033531.db2.gz FWMQOTFKCYVFMQ-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340627972 1022037791 /nfs/dbraw/zinc/03/77/91/1022037791.db2.gz UMYSZZNPMZGGLU-HXUWFJFHSA-N 1 2 333.435 3.683 20 0 EHADLO Cc1cc(NCc2cccc(OCC(F)(F)F)c2)nc(C2CC2)[nH+]1 ZINC000341500808 1022039639 /nfs/dbraw/zinc/03/96/39/1022039639.db2.gz ODAWKCYLOLHADQ-UHFFFAOYSA-N 1 2 337.345 3.638 20 0 EHADLO Cc1cc(N2CCC(Oc3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000341508634 1022047858 /nfs/dbraw/zinc/04/78/58/1022047858.db2.gz WEUFVGVPVCTWSV-UHFFFAOYSA-N 1 2 327.403 3.849 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000341509854 1022048176 /nfs/dbraw/zinc/04/81/76/1022048176.db2.gz YDKHUTSYQMGROX-KRWDZBQOSA-N 1 2 334.822 3.788 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC000891602332 1022076688 /nfs/dbraw/zinc/07/66/88/1022076688.db2.gz ODLPAIZEMXYRJI-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC000891602332 1022076702 /nfs/dbraw/zinc/07/67/02/1022076702.db2.gz ODLPAIZEMXYRJI-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000437778266 1022119761 /nfs/dbraw/zinc/11/97/61/1022119761.db2.gz ABTWTFVCEQGUOI-CJNGLKHVSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000437778266 1022119771 /nfs/dbraw/zinc/11/97/71/1022119771.db2.gz ABTWTFVCEQGUOI-CJNGLKHVSA-N 1 2 329.362 3.505 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CCc4cc(F)ccc4C3)cn2)cc1 ZINC000437793149 1022144889 /nfs/dbraw/zinc/14/48/89/1022144889.db2.gz MYOJVRBOFAQOIK-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CCc4cc(F)ccc4C3)cn2)cc1 ZINC000437793149 1022144897 /nfs/dbraw/zinc/14/48/97/1022144897.db2.gz MYOJVRBOFAQOIK-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]c(-c3ccccc3)n1)CCO2 ZINC000341539055 1022173422 /nfs/dbraw/zinc/17/34/22/1022173422.db2.gz FYRPRNNHCHEWLU-GOSISDBHSA-N 1 2 335.407 3.699 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437826942 1022179833 /nfs/dbraw/zinc/17/98/33/1022179833.db2.gz DUJOBCOMFYMGAE-CRAIPNDOSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437826942 1022179837 /nfs/dbraw/zinc/17/98/37/1022179837.db2.gz DUJOBCOMFYMGAE-CRAIPNDOSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437826944 1022181127 /nfs/dbraw/zinc/18/11/27/1022181127.db2.gz DUJOBCOMFYMGAE-QAPCUYQASA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437826944 1022181135 /nfs/dbraw/zinc/18/11/35/1022181135.db2.gz DUJOBCOMFYMGAE-QAPCUYQASA-N 1 2 336.435 3.533 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000172915385 1033035251 /nfs/dbraw/zinc/03/52/51/1033035251.db2.gz BLAIOYMLJMWQHX-MRXNPFEDSA-N 1 2 342.512 3.833 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000172915385 1033035262 /nfs/dbraw/zinc/03/52/62/1033035262.db2.gz BLAIOYMLJMWQHX-MRXNPFEDSA-N 1 2 342.512 3.833 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnc2c(C)cccn12 ZINC000506152419 1022216322 /nfs/dbraw/zinc/21/63/22/1022216322.db2.gz XGFHIJQCUCRZMK-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000506152419 1022216327 /nfs/dbraw/zinc/21/63/27/1022216327.db2.gz XGFHIJQCUCRZMK-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518192765 1022217487 /nfs/dbraw/zinc/21/74/87/1022217487.db2.gz QJIGARBKBDHJRA-NVXWUHKLSA-N 1 2 329.444 3.746 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000437904429 1022245690 /nfs/dbraw/zinc/24/56/90/1022245690.db2.gz NYIKZISJKMVTHT-GOSISDBHSA-N 1 2 339.483 3.648 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000437904429 1022245701 /nfs/dbraw/zinc/24/57/01/1022245701.db2.gz NYIKZISJKMVTHT-GOSISDBHSA-N 1 2 339.483 3.648 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)no1 ZINC000891670195 1022260858 /nfs/dbraw/zinc/26/08/58/1022260858.db2.gz HVJIBBIRKQEWKI-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)no1 ZINC000891670195 1022260862 /nfs/dbraw/zinc/26/08/62/1022260862.db2.gz HVJIBBIRKQEWKI-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO CC(C)Cc1ccc([C@H]([NH2+]Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000473918140 1022287430 /nfs/dbraw/zinc/28/74/30/1022287430.db2.gz BEOQBIKQZIPBKB-GOSISDBHSA-N 1 2 330.476 3.821 20 0 EHADLO CCC1(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCC1 ZINC000084282904 1022295967 /nfs/dbraw/zinc/29/59/67/1022295967.db2.gz SGMFNDOHWCABAD-UHFFFAOYSA-N 1 2 331.485 3.572 20 0 EHADLO Cc1ccc2cc(C[N@@H+]3CCNC(=O)[C@H]3c3ccccc3C)ccc2n1 ZINC000437980297 1022301895 /nfs/dbraw/zinc/30/18/95/1022301895.db2.gz QVRJDFIWHSZECH-OAQYLSRUSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1ccc2cc(C[N@H+]3CCNC(=O)[C@H]3c3ccccc3C)ccc2n1 ZINC000437980297 1022301914 /nfs/dbraw/zinc/30/19/14/1022301914.db2.gz QVRJDFIWHSZECH-OAQYLSRUSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1cn(-c2ccc(Cl)cc2)nc1NCc1cccc2[nH+]ccn21 ZINC000341556364 1022311411 /nfs/dbraw/zinc/31/14/11/1022311411.db2.gz BTFNCVWUSVRXIO-UHFFFAOYSA-N 1 2 337.814 3.516 20 0 EHADLO COC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)c(C)cc1C ZINC000471818030 1022384745 /nfs/dbraw/zinc/38/47/45/1022384745.db2.gz YDNLEJNPCGCLOL-UHFFFAOYSA-N 1 2 339.439 3.566 20 0 EHADLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)CCCC2CCCCC2)CCO1 ZINC000548342043 1022408439 /nfs/dbraw/zinc/40/84/39/1022408439.db2.gz RCXFNGSWIJKPAZ-SJLPKXTDSA-N 1 2 333.476 3.507 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000664826654 1022460534 /nfs/dbraw/zinc/46/05/34/1022460534.db2.gz WAJUVAOGSTVBAW-MOPGFXCFSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000664826654 1022460544 /nfs/dbraw/zinc/46/05/44/1022460544.db2.gz WAJUVAOGSTVBAW-MOPGFXCFSA-N 1 2 335.451 3.660 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000328601167 1022462778 /nfs/dbraw/zinc/46/27/78/1022462778.db2.gz FAFCQHZMICYJIK-CQSZACIVSA-N 1 2 329.444 3.972 20 0 EHADLO CCc1cc2c(C[NH2+][C@@H](CC)c3nccs3)cc(=O)oc2cc1O ZINC000161080192 1022487298 /nfs/dbraw/zinc/48/72/98/1022487298.db2.gz ZTHWWPLADXLPKF-AWEZNQCLSA-N 1 2 344.436 3.758 20 0 EHADLO CCOc1c(Cl)cccc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000425964656 1022493428 /nfs/dbraw/zinc/49/34/28/1022493428.db2.gz QXWDGPCPQCTVNN-UHFFFAOYSA-N 1 2 333.863 3.904 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827321 1022503559 /nfs/dbraw/zinc/50/35/59/1022503559.db2.gz JAGHCQUCNKGULF-VQIMIIECSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827321 1022503569 /nfs/dbraw/zinc/50/35/69/1022503569.db2.gz JAGHCQUCNKGULF-VQIMIIECSA-N 1 2 337.467 3.512 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639269 1022517632 /nfs/dbraw/zinc/51/76/32/1022517632.db2.gz HCHJVRWXTPPVFY-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639269 1022517636 /nfs/dbraw/zinc/51/76/36/1022517636.db2.gz HCHJVRWXTPPVFY-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO Cn1ccnc1C[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000328890102 1022529542 /nfs/dbraw/zinc/52/95/42/1022529542.db2.gz RFZFELRTSYHVMF-KRWDZBQOSA-N 1 2 344.846 3.671 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449702889 1033063830 /nfs/dbraw/zinc/06/38/30/1033063830.db2.gz DYZZCMLRCCXKFS-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2c2ccsc2)c1C ZINC000051334243 1022550371 /nfs/dbraw/zinc/55/03/71/1022550371.db2.gz LPLDRMONTUZAHP-MRXNPFEDSA-N 1 2 345.468 3.815 20 0 EHADLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1c1ccncc1 ZINC000664831076 1022560627 /nfs/dbraw/zinc/56/06/27/1022560627.db2.gz ZPTCQENDJLNOKE-GFCCVEGCSA-N 1 2 338.320 3.679 20 0 EHADLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1c1ccncc1 ZINC000664831076 1022560631 /nfs/dbraw/zinc/56/06/31/1022560631.db2.gz ZPTCQENDJLNOKE-GFCCVEGCSA-N 1 2 338.320 3.679 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000684499286 1022594051 /nfs/dbraw/zinc/59/40/51/1022594051.db2.gz NURATZHQVDSPQS-UHFFFAOYSA-N 1 2 329.831 3.633 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834455 1022604446 /nfs/dbraw/zinc/60/44/46/1022604446.db2.gz ZFIAVVKSMXKIEJ-APWZRJJASA-N 1 2 337.467 3.512 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834455 1022604455 /nfs/dbraw/zinc/60/44/55/1022604455.db2.gz ZFIAVVKSMXKIEJ-APWZRJJASA-N 1 2 337.467 3.512 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000894593666 1022604731 /nfs/dbraw/zinc/60/47/31/1022604731.db2.gz WCXYNXGVSWFWKH-AWEZNQCLSA-N 1 2 342.443 3.683 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000894593666 1022604736 /nfs/dbraw/zinc/60/47/36/1022604736.db2.gz WCXYNXGVSWFWKH-AWEZNQCLSA-N 1 2 342.443 3.683 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000476229919 1033067688 /nfs/dbraw/zinc/06/76/88/1033067688.db2.gz SVTYGXDOQGFDQY-QAPCUYQASA-N 1 2 332.463 3.857 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000054546620 1033070413 /nfs/dbraw/zinc/07/04/13/1033070413.db2.gz QMTOEUHKRSDIAR-INIZCTEOSA-N 1 2 342.443 3.669 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000054546620 1033070430 /nfs/dbraw/zinc/07/04/30/1033070430.db2.gz QMTOEUHKRSDIAR-INIZCTEOSA-N 1 2 342.443 3.669 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430763035 1022665760 /nfs/dbraw/zinc/66/57/60/1022665760.db2.gz OIRAFANNRGSHQO-LALPHHSUSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430763035 1022665767 /nfs/dbraw/zinc/66/57/67/1022665767.db2.gz OIRAFANNRGSHQO-LALPHHSUSA-N 1 2 349.418 3.925 20 0 EHADLO Cn1ccc2ccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc21 ZINC000438461019 1022688212 /nfs/dbraw/zinc/68/82/12/1022688212.db2.gz CRSRFSPVVWBXBV-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(Br)c2)[nH]1 ZINC000894676723 1022695748 /nfs/dbraw/zinc/69/57/48/1022695748.db2.gz PPDPSTARBRZJMV-UHFFFAOYSA-N 1 2 343.656 3.634 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838535 1022712167 /nfs/dbraw/zinc/71/21/67/1022712167.db2.gz STPGKDSNIPUVQV-QAPCUYQASA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838535 1022712177 /nfs/dbraw/zinc/71/21/77/1022712177.db2.gz STPGKDSNIPUVQV-QAPCUYQASA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC3(C)C)n2)O1 ZINC000665012852 1022719426 /nfs/dbraw/zinc/71/94/26/1022719426.db2.gz UJTJNFQRDOHQKM-OIISXLGYSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC3(C)C)n2)O1 ZINC000665012852 1022719439 /nfs/dbraw/zinc/71/94/39/1022719439.db2.gz UJTJNFQRDOHQKM-OIISXLGYSA-N 1 2 341.455 3.935 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCCC1 ZINC000101854038 1022743663 /nfs/dbraw/zinc/74/36/63/1022743663.db2.gz YHBBZBUZWOJTJJ-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cccc(Cl)c2)c1)[NH+]1CCOCC1 ZINC000517855414 1022757386 /nfs/dbraw/zinc/75/73/86/1022757386.db2.gz CGSNIPZHAMWXKR-AWEZNQCLSA-N 1 2 344.842 3.986 20 0 EHADLO [NH3+]CC1(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCCC1 ZINC000232398777 1022761896 /nfs/dbraw/zinc/76/18/96/1022761896.db2.gz PLVGQYPZONAFLX-UHFFFAOYSA-N 1 2 331.243 3.937 20 0 EHADLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1F ZINC000341644885 1022765097 /nfs/dbraw/zinc/76/50/97/1022765097.db2.gz NESLGLGWOJAQPE-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO CCC1(Cc2ccccc2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000684516759 1022805712 /nfs/dbraw/zinc/80/57/12/1022805712.db2.gz IRVOSNGIOGMINA-UHFFFAOYSA-N 1 2 339.483 3.925 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]4CCC[C@@H]43)n2)C1 ZINC000426065381 1022814883 /nfs/dbraw/zinc/81/48/83/1022814883.db2.gz AYEXBHXFBSQLDN-FMKPAKJESA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]4CCC[C@@H]43)n2)C1 ZINC000426065381 1022814897 /nfs/dbraw/zinc/81/48/97/1022814897.db2.gz AYEXBHXFBSQLDN-FMKPAKJESA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476246678 1033083722 /nfs/dbraw/zinc/08/37/22/1033083722.db2.gz CRQPTNDKMLDWDL-DQYPLSBCSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476246678 1033083726 /nfs/dbraw/zinc/08/37/26/1033083726.db2.gz CRQPTNDKMLDWDL-DQYPLSBCSA-N 1 2 338.442 3.899 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cc1OCC ZINC000894771477 1022866147 /nfs/dbraw/zinc/86/61/47/1022866147.db2.gz JXLSHDJAYHRUIU-CYBMUJFWSA-N 1 2 332.448 3.542 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[nH]1 ZINC000894774440 1022873458 /nfs/dbraw/zinc/87/34/58/1022873458.db2.gz SGFGHAKHMPLTEW-VIFPVBQESA-N 1 2 333.848 3.741 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000550258878 1022904267 /nfs/dbraw/zinc/90/42/67/1022904267.db2.gz GKVMTMILXSUQEQ-OAHLLOKOSA-N 1 2 332.463 3.857 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC(C(C)(C)C)C2)c1C ZINC000458857154 1022937894 /nfs/dbraw/zinc/93/78/94/1022937894.db2.gz QWUPUHNNUJHLQM-UHFFFAOYSA-N 1 2 333.476 3.673 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000189123595 1022961239 /nfs/dbraw/zinc/96/12/39/1022961239.db2.gz KLOPWCMTXGULNZ-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000189123595 1022961246 /nfs/dbraw/zinc/96/12/46/1022961246.db2.gz KLOPWCMTXGULNZ-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)n1 ZINC000518095300 1022987218 /nfs/dbraw/zinc/98/72/18/1022987218.db2.gz VXAMYRRQDCLRJA-TZMCWYRMSA-N 1 2 346.793 3.848 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090086 1023020229 /nfs/dbraw/zinc/02/02/29/1023020229.db2.gz FLRBCCUCSJZXPL-GUDVDZBRSA-N 1 2 337.467 3.775 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000536360604 1023029571 /nfs/dbraw/zinc/02/95/71/1023029571.db2.gz BZOWFWKZKCITPE-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000536360604 1023029581 /nfs/dbraw/zinc/02/95/81/1023029581.db2.gz BZOWFWKZKCITPE-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO Cc1ccc(NC(=O)CCc2c[nH+]cn2C)c(OCc2ccccc2)c1 ZINC000188693849 1023034297 /nfs/dbraw/zinc/03/42/97/1023034297.db2.gz MNZRPMYVTJKLEW-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO CC(C)(CC(=O)NCCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000189513867 1023043048 /nfs/dbraw/zinc/04/30/48/1023043048.db2.gz SQKGBYFWNAQKOP-UHFFFAOYSA-N 1 2 333.863 3.702 20 0 EHADLO c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SC2CCC2)cc1 ZINC000430978104 1023070947 /nfs/dbraw/zinc/07/09/47/1023070947.db2.gz HTKMBYMNMZHYNZ-UHFFFAOYSA-N 1 2 328.485 3.898 20 0 EHADLO O=c1[nH]c(C[NH2+]C2(c3ccc(F)cc3)CC2)nc2c3ccccc3oc21 ZINC000341704514 1023071292 /nfs/dbraw/zinc/07/12/92/1023071292.db2.gz SBNWKOAUNJUPNX-UHFFFAOYSA-N 1 2 349.365 4.000 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000894368468 1023071790 /nfs/dbraw/zinc/07/17/90/1023071790.db2.gz QYHFKCLODIXGOJ-INIZCTEOSA-N 1 2 336.501 3.601 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000294756960 1023094139 /nfs/dbraw/zinc/09/41/39/1023094139.db2.gz YAJIEYYRAANGSJ-INIZCTEOSA-N 1 2 344.528 3.849 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OCC ZINC000294765492 1023096173 /nfs/dbraw/zinc/09/61/73/1023096173.db2.gz JNDUZVRUTLGWHZ-UHFFFAOYSA-N 1 2 346.475 3.796 20 0 EHADLO CCOCc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000438864317 1023106917 /nfs/dbraw/zinc/10/69/17/1023106917.db2.gz YDVLZQIGKQZVRT-UHFFFAOYSA-N 1 2 342.443 3.632 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475627809 1023117406 /nfs/dbraw/zinc/11/74/06/1023117406.db2.gz VGVJLSOJFWFXFP-CZUORRHYSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475627809 1023117413 /nfs/dbraw/zinc/11/74/13/1023117413.db2.gz VGVJLSOJFWFXFP-CZUORRHYSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1OC(F)F ZINC000469518289 1023118778 /nfs/dbraw/zinc/11/87/78/1023118778.db2.gz BQSKVOKTSISEIJ-INIZCTEOSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1OC(F)F ZINC000469518289 1023118786 /nfs/dbraw/zinc/11/87/86/1023118786.db2.gz BQSKVOKTSISEIJ-INIZCTEOSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075994921 1023123212 /nfs/dbraw/zinc/12/32/12/1023123212.db2.gz PSBUVAALPIKRES-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO CCOc1cc(F)c(C[NH+]2CCC(OC3CCC3)CC2)c(F)c1 ZINC001143564725 1023123376 /nfs/dbraw/zinc/12/33/76/1023123376.db2.gz JZAMOKOFWRLYIR-UHFFFAOYSA-N 1 2 325.399 3.897 20 0 EHADLO Cn1nnc2cc(C[N@H+](C)Cc3c(Cl)cccc3Cl)ccc21 ZINC000507110069 1023134763 /nfs/dbraw/zinc/13/47/63/1023134763.db2.gz IAGVHMSIZOUQKK-UHFFFAOYSA-N 1 2 335.238 3.907 20 0 EHADLO Cn1nnc2cc(C[N@@H+](C)Cc3c(Cl)cccc3Cl)ccc21 ZINC000507110069 1023134771 /nfs/dbraw/zinc/13/47/71/1023134771.db2.gz IAGVHMSIZOUQKK-UHFFFAOYSA-N 1 2 335.238 3.907 20 0 EHADLO FC(F)Cn1cc(CNc2[nH+]c3ccccc3n2C2CCCC2)cn1 ZINC000431023271 1023136672 /nfs/dbraw/zinc/13/66/72/1023136672.db2.gz QLMYOLWFYVTFLR-UHFFFAOYSA-N 1 2 345.397 3.647 20 0 EHADLO Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000507201118 1023176980 /nfs/dbraw/zinc/17/69/80/1023176980.db2.gz DTEKVPHVZSRJCJ-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000507201118 1023176986 /nfs/dbraw/zinc/17/69/86/1023176986.db2.gz DTEKVPHVZSRJCJ-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cccc3c2OCO3)C2CC2)c1 ZINC000507190658 1023181979 /nfs/dbraw/zinc/18/19/79/1023181979.db2.gz FJZPOUBFCQDSIL-UHFFFAOYSA-N 1 2 341.407 3.597 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cccc3c2OCO3)C2CC2)c1 ZINC000507190658 1023181984 /nfs/dbraw/zinc/18/19/84/1023181984.db2.gz FJZPOUBFCQDSIL-UHFFFAOYSA-N 1 2 341.407 3.597 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000507220514 1023187355 /nfs/dbraw/zinc/18/73/55/1023187355.db2.gz XGTQLEMENSJUCA-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000507220514 1023187360 /nfs/dbraw/zinc/18/73/60/1023187360.db2.gz XGTQLEMENSJUCA-SFHVURJKSA-N 1 2 344.842 3.524 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2ccccc2)c(C)c1 ZINC000441487181 1023188483 /nfs/dbraw/zinc/18/84/83/1023188483.db2.gz GAAQQXNSLUPRTP-FQEVSTJZSA-N 1 2 333.435 3.600 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)sc2C1 ZINC000507761104 1023189074 /nfs/dbraw/zinc/18/90/74/1023189074.db2.gz UZQOBKHGAXLCHB-MGPQQGTHSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)sc2C1 ZINC000507761104 1023189078 /nfs/dbraw/zinc/18/90/78/1023189078.db2.gz UZQOBKHGAXLCHB-MGPQQGTHSA-N 1 2 333.501 3.676 20 0 EHADLO Cc1cccc(C2(C(=O)N(C)CCCn3cc[nH+]c3)CCCCC2)c1 ZINC000427101796 1023216134 /nfs/dbraw/zinc/21/61/34/1023216134.db2.gz RUACSXVELXNELN-UHFFFAOYSA-N 1 2 339.483 3.942 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)oc1C ZINC000431101519 1023257279 /nfs/dbraw/zinc/25/72/79/1023257279.db2.gz OXRDDRTVZPXKNV-MNOVXSKESA-N 1 2 335.375 3.934 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)c(F)cc2F)cc[nH+]1 ZINC000190541475 1023270958 /nfs/dbraw/zinc/27/09/58/1023270958.db2.gz UZRNSUSEUKRIAD-UHFFFAOYSA-N 1 2 327.128 3.683 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1ccccc1Cl ZINC000684554786 1023274750 /nfs/dbraw/zinc/27/47/50/1023274750.db2.gz QNUGCUQQMZJDTG-DLBZAZTESA-N 1 2 342.830 3.525 20 0 EHADLO Cc1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000341864700 1023488136 /nfs/dbraw/zinc/48/81/36/1023488136.db2.gz BMRYNYZSNZEGBO-INIZCTEOSA-N 1 2 325.437 3.618 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582005989 1023508051 /nfs/dbraw/zinc/50/80/51/1023508051.db2.gz UOMKHQVEILEBLI-MOPGFXCFSA-N 1 2 339.483 3.624 20 0 EHADLO Fc1cnc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c(Cl)c1 ZINC001213357847 1023536502 /nfs/dbraw/zinc/53/65/02/1023536502.db2.gz SIRAEXQATIFCRK-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611887569 1033145688 /nfs/dbraw/zinc/14/56/88/1033145688.db2.gz XHVKCFJSPIBQDI-HZPDHXFCSA-N 1 2 341.455 3.786 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnc(Cl)c3)c2)[nH+]c1C ZINC000142494606 1023585098 /nfs/dbraw/zinc/58/50/98/1023585098.db2.gz BLZUTQRECHHLEX-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001143417285 1023599506 /nfs/dbraw/zinc/59/95/06/1023599506.db2.gz DDVIAUONLHFKEM-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001143417285 1023599510 /nfs/dbraw/zinc/59/95/10/1023599510.db2.gz DDVIAUONLHFKEM-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO Cc1cc(NC(=O)N2CCC(c3ccccc3F)CC2)c(C)c[nH+]1 ZINC000535774198 1023625754 /nfs/dbraw/zinc/62/57/54/1023625754.db2.gz OPCADPLVAWAPJD-UHFFFAOYSA-N 1 2 327.403 3.671 20 0 EHADLO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000535784772 1023633063 /nfs/dbraw/zinc/63/30/63/1023633063.db2.gz CGDYTLZAESZTKG-UHFFFAOYSA-N 1 2 334.423 3.515 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000897755041 1033151284 /nfs/dbraw/zinc/15/12/84/1033151284.db2.gz BUMACUVWTRDVTM-CAENFQTFSA-N 1 2 325.412 3.617 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548493031 1023667381 /nfs/dbraw/zinc/66/73/81/1023667381.db2.gz MSPNMFOATNWCMV-XOBRGWDASA-N 1 2 341.455 3.950 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548493031 1023667384 /nfs/dbraw/zinc/66/73/84/1023667384.db2.gz MSPNMFOATNWCMV-XOBRGWDASA-N 1 2 341.455 3.950 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000180964233 1023707087 /nfs/dbraw/zinc/70/70/87/1023707087.db2.gz JZJFSEZGTAGHLJ-AWEZNQCLSA-N 1 2 325.387 3.850 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341987085 1023736495 /nfs/dbraw/zinc/73/64/95/1023736495.db2.gz IOYSXNGFESKKAX-UHFFFAOYSA-N 1 2 340.389 3.575 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341987085 1023736501 /nfs/dbraw/zinc/73/65/01/1023736501.db2.gz IOYSXNGFESKKAX-UHFFFAOYSA-N 1 2 340.389 3.575 20 0 EHADLO CC1CCC(OC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000341990525 1023743000 /nfs/dbraw/zinc/74/30/00/1023743000.db2.gz CTWDJLGBPAWYFP-UHFFFAOYSA-N 1 2 348.462 3.824 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000341994007 1023746187 /nfs/dbraw/zinc/74/61/87/1023746187.db2.gz DUYFPWCJMUSBFN-JTQLQIEISA-N 1 2 327.302 3.936 20 0 EHADLO COCC[N@H+](Cc1c(C)noc1C)Cc1ccc(F)c(Cl)c1 ZINC000449748959 1033161191 /nfs/dbraw/zinc/16/11/91/1033161191.db2.gz DITJLTTXGOGART-UHFFFAOYSA-N 1 2 326.799 3.733 20 0 EHADLO COCC[N@@H+](Cc1c(C)noc1C)Cc1ccc(F)c(Cl)c1 ZINC000449748959 1033161200 /nfs/dbraw/zinc/16/12/00/1033161200.db2.gz DITJLTTXGOGART-UHFFFAOYSA-N 1 2 326.799 3.733 20 0 EHADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966240 1023899449 /nfs/dbraw/zinc/89/94/49/1023899449.db2.gz IXYDJJYPOVMXMU-UKRRQHHQSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966240 1023899456 /nfs/dbraw/zinc/89/94/56/1023899456.db2.gz IXYDJJYPOVMXMU-UKRRQHHQSA-N 1 2 331.485 3.594 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccsc2)c(C)c1 ZINC000441504465 1023958296 /nfs/dbraw/zinc/95/82/96/1023958296.db2.gz YPNOHKRSAXZUFA-KRWDZBQOSA-N 1 2 325.437 3.733 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)[nH]1 ZINC000429672229 1023975549 /nfs/dbraw/zinc/97/55/49/1023975549.db2.gz CXHWOOKPGDNYDO-SECBINFHSA-N 1 2 341.228 3.681 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)on1 ZINC000513995160 1024024497 /nfs/dbraw/zinc/02/44/97/1024024497.db2.gz UGOOOWYYKSLKSS-BLLLJJGKSA-N 1 2 347.846 3.628 20 0 EHADLO CSc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046469030 1033175510 /nfs/dbraw/zinc/17/55/10/1033175510.db2.gz VICMAHRQYJHEGZ-OAHLLOKOSA-N 1 2 332.473 3.841 20 0 EHADLO CC(C)CCSCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513998489 1024042493 /nfs/dbraw/zinc/04/24/93/1024042493.db2.gz CMDLSJAIYKLNSE-INIZCTEOSA-N 1 2 340.920 3.592 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000351534910 1024052425 /nfs/dbraw/zinc/05/24/25/1024052425.db2.gz GSQPTKCRBQHMIZ-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000351534910 1024052441 /nfs/dbraw/zinc/05/24/41/1024052441.db2.gz GSQPTKCRBQHMIZ-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ncnn3C(C)C)oc21 ZINC000434486345 1024077899 /nfs/dbraw/zinc/07/78/99/1024077899.db2.gz QLOMBZBZRPDGAL-ZDUSSCGKSA-N 1 2 328.416 3.855 20 0 EHADLO Cc1nc(-c2ccccc2)c(C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000520547983 1024083713 /nfs/dbraw/zinc/08/37/13/1024083713.db2.gz BCKWGXPZYRQLMV-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)cs1 ZINC000151231440 1024092097 /nfs/dbraw/zinc/09/20/97/1024092097.db2.gz BXQSUYBTYPVSBM-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c(C)[nH+]1 ZINC000594111372 1033186428 /nfs/dbraw/zinc/18/64/28/1033186428.db2.gz LUPSTLZEZSLSJN-OAHLLOKOSA-N 1 2 349.475 3.742 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000514102952 1024133190 /nfs/dbraw/zinc/13/31/90/1024133190.db2.gz XOYYWLVGYCRGOX-YOEHRIQHSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000514102952 1024133197 /nfs/dbraw/zinc/13/31/97/1024133197.db2.gz XOYYWLVGYCRGOX-YOEHRIQHSA-N 1 2 335.806 3.796 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)cn1 ZINC000514108022 1024139293 /nfs/dbraw/zinc/13/92/93/1024139293.db2.gz UDTCSZNYTINEIE-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)cn1 ZINC000514108022 1024139303 /nfs/dbraw/zinc/13/93/03/1024139303.db2.gz UDTCSZNYTINEIE-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCCCn1c(S[C@@H]2COC(C)(C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000657225635 1024140294 /nfs/dbraw/zinc/14/02/94/1024140294.db2.gz MXLPAHJPAHVQOF-KBPBESRZSA-N 1 2 340.537 3.751 20 0 EHADLO CC(C)Cn1c(C(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909540475 1024142118 /nfs/dbraw/zinc/14/21/18/1024142118.db2.gz YVRQOCVDLHCRJB-UHFFFAOYSA-N 1 2 342.491 3.533 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000602790957 1033190129 /nfs/dbraw/zinc/19/01/29/1033190129.db2.gz AJGITEXYHNKCFX-BZNIZROVSA-N 1 2 332.375 3.792 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000329782620 1024192923 /nfs/dbraw/zinc/19/29/23/1024192923.db2.gz OAIGMNMUHFCLJV-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000329782620 1024192932 /nfs/dbraw/zinc/19/29/32/1024192932.db2.gz OAIGMNMUHFCLJV-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3nc4cc(F)ccc4o3)C2)no1 ZINC000329806874 1024203485 /nfs/dbraw/zinc/20/34/85/1024203485.db2.gz LKUKWXCICSYCIS-GFCCVEGCSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)no1 ZINC000329806874 1024203494 /nfs/dbraw/zinc/20/34/94/1024203494.db2.gz LKUKWXCICSYCIS-GFCCVEGCSA-N 1 2 344.390 3.853 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520602387 1024207249 /nfs/dbraw/zinc/20/72/49/1024207249.db2.gz KLOXFCUUKOCASL-SOLBZPMBSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000329828732 1024213378 /nfs/dbraw/zinc/21/33/78/1024213378.db2.gz JMDCXJPQLJJOBR-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000329828732 1024213395 /nfs/dbraw/zinc/21/33/95/1024213395.db2.gz JMDCXJPQLJJOBR-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO COc1cc(OC)c(OC)cc1NCc1cc(C)[nH+]c2c1CCCC2 ZINC000892389173 1033194008 /nfs/dbraw/zinc/19/40/08/1033194008.db2.gz IWTSGFKIHFTHGT-UHFFFAOYSA-N 1 2 342.439 3.907 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000761044959 1033194782 /nfs/dbraw/zinc/19/47/82/1033194782.db2.gz MVMATCYYXDDAHQ-RISCZKNCSA-N 1 2 348.434 3.836 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000761044959 1033194791 /nfs/dbraw/zinc/19/47/91/1033194791.db2.gz MVMATCYYXDDAHQ-RISCZKNCSA-N 1 2 348.434 3.836 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)s1 ZINC000505453030 1024236951 /nfs/dbraw/zinc/23/69/51/1024236951.db2.gz HVSMNKHJLYUCCH-HNNXBMFYSA-N 1 2 332.444 3.797 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(F)c1F ZINC000277238467 1024282800 /nfs/dbraw/zinc/28/28/00/1024282800.db2.gz ZNBIZWLDTOZVHC-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1C ZINC000505469566 1024300465 /nfs/dbraw/zinc/30/04/65/1024300465.db2.gz RGOWLAFHOWRPFB-GOSISDBHSA-N 1 2 346.833 3.883 20 0 EHADLO Cc1ccc(C)n1C1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000459119976 1024308891 /nfs/dbraw/zinc/30/88/91/1024308891.db2.gz MHKHMKREOYWHKW-UHFFFAOYSA-N 1 2 340.471 3.663 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)[nH]1 ZINC000277252475 1024344365 /nfs/dbraw/zinc/34/43/65/1024344365.db2.gz OBTVGOSUKMHCGD-YPMHNXCESA-N 1 2 332.496 3.737 20 0 EHADLO COc1cccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1OC ZINC000101597053 1024346666 /nfs/dbraw/zinc/34/66/66/1024346666.db2.gz NCIDGRFTEXJWKT-INIZCTEOSA-N 1 2 333.428 3.800 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2C(F)F)c2ccco2)cc1 ZINC000449780843 1033205219 /nfs/dbraw/zinc/20/52/19/1033205219.db2.gz WASSQXDZBOLEME-MRXNPFEDSA-N 1 2 347.365 3.839 20 0 EHADLO Nc1cc(CSc2nc3c(n2-c2ccccc2)CCCC3)cc[nH+]1 ZINC000430115859 1024386096 /nfs/dbraw/zinc/38/60/96/1024386096.db2.gz GZXSCGDCOWYHHM-UHFFFAOYSA-N 1 2 336.464 3.851 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000434738134 1024387683 /nfs/dbraw/zinc/38/76/83/1024387683.db2.gz RGNUTLXQKOVENY-HXUWFJFHSA-N 1 2 344.405 3.875 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000434738134 1024387699 /nfs/dbraw/zinc/38/76/99/1024387699.db2.gz RGNUTLXQKOVENY-HXUWFJFHSA-N 1 2 344.405 3.875 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000892027994 1024396091 /nfs/dbraw/zinc/39/60/91/1024396091.db2.gz IVMDYLXCCGTKGW-MRXNPFEDSA-N 1 2 332.448 3.657 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)c(C)c[nH+]1 ZINC000535772393 1024411357 /nfs/dbraw/zinc/41/13/57/1024411357.db2.gz CGLKYSVLNILONW-KRWDZBQOSA-N 1 2 329.419 3.648 20 0 EHADLO CCC[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425189085 1024415960 /nfs/dbraw/zinc/41/59/60/1024415960.db2.gz LIPHFLJRBOMGIX-FUHWJXTLSA-N 1 2 325.456 3.970 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151688253 1024421098 /nfs/dbraw/zinc/42/10/98/1024421098.db2.gz MVSXFECZCFFSCI-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000520691583 1024431133 /nfs/dbraw/zinc/43/11/33/1024431133.db2.gz UIUWFZMDZDSFFX-KRWDZBQOSA-N 1 2 341.455 3.591 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3ccc(C)nc3)no2)c1 ZINC000346138197 1024437750 /nfs/dbraw/zinc/43/77/50/1024437750.db2.gz SVFYSDSLTKGPIF-UHFFFAOYSA-N 1 2 331.379 3.525 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000840165531 1024440601 /nfs/dbraw/zinc/44/06/01/1024440601.db2.gz CZVVISGWJBTNBS-ZDUSSCGKSA-N 1 2 336.480 3.829 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000840165531 1024440606 /nfs/dbraw/zinc/44/06/06/1024440606.db2.gz CZVVISGWJBTNBS-ZDUSSCGKSA-N 1 2 336.480 3.829 20 0 EHADLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C(F)F)c(F)c1 ZINC000892041838 1024448815 /nfs/dbraw/zinc/44/88/15/1024448815.db2.gz KQDUILRTTOEYOT-UHFFFAOYSA-N 1 2 342.386 3.573 20 0 EHADLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C(F)F)c(F)c1 ZINC000892041838 1024448822 /nfs/dbraw/zinc/44/88/22/1024448822.db2.gz KQDUILRTTOEYOT-UHFFFAOYSA-N 1 2 342.386 3.573 20 0 EHADLO CCn1nc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c2ccccc21 ZINC000472041106 1024450259 /nfs/dbraw/zinc/45/02/59/1024450259.db2.gz KLVQGSWGLGROPS-MRXNPFEDSA-N 1 2 327.815 3.933 20 0 EHADLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000346151926 1024453537 /nfs/dbraw/zinc/45/35/37/1024453537.db2.gz OHXXXJULHWETSI-NRFANRHFSA-N 1 2 345.446 3.620 20 0 EHADLO CCc1cnccc1[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228992 1024466155 /nfs/dbraw/zinc/46/61/55/1024466155.db2.gz KTBZATWIPIYSDT-DNVCBOLYSA-N 1 2 348.450 3.767 20 0 EHADLO Oc1cc(Br)cnc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000895402734 1024471973 /nfs/dbraw/zinc/47/19/73/1024471973.db2.gz HKADMJQJTWAYDZ-UHFFFAOYSA-N 1 2 347.203 3.607 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505133 1024476164 /nfs/dbraw/zinc/47/61/64/1024476164.db2.gz QRWRGIKMNHVPBO-UONOGXRCSA-N 1 2 329.893 3.980 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505133 1024476172 /nfs/dbraw/zinc/47/61/72/1024476172.db2.gz QRWRGIKMNHVPBO-UONOGXRCSA-N 1 2 329.893 3.980 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2CCCc3ccccc3C2)[nH]c(C)c1C(C)=O ZINC000346179021 1024492620 /nfs/dbraw/zinc/49/26/20/1024492620.db2.gz AXYJSAKHGMMRRO-UHFFFAOYSA-N 1 2 338.451 3.719 20 0 EHADLO CCc1c(C(=O)C[N@H+]2CCCc3ccccc3C2)[nH]c(C)c1C(C)=O ZINC000346179021 1024492625 /nfs/dbraw/zinc/49/26/25/1024492625.db2.gz AXYJSAKHGMMRRO-UHFFFAOYSA-N 1 2 338.451 3.719 20 0 EHADLO CCc1ccc([C@H]2COCCN2Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000346178790 1024493395 /nfs/dbraw/zinc/49/33/95/1024493395.db2.gz SOLFJWQFMWQERT-QGZVFWFLSA-N 1 2 343.452 3.663 20 0 EHADLO O=C1c2ccccc2N[C@H](c2cc(-n3cc[nH+]c3)cs2)N1C1CC1 ZINC000342242167 1024520700 /nfs/dbraw/zinc/52/07/00/1024520700.db2.gz HBHCYGSMLWAGBX-KRWDZBQOSA-N 1 2 336.420 3.663 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342241258 1024529991 /nfs/dbraw/zinc/52/99/91/1024529991.db2.gz ALTBJICIIPIABU-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000505582772 1024535956 /nfs/dbraw/zinc/53/59/56/1024535956.db2.gz WKNXBZBMJPEACP-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000505582772 1024535965 /nfs/dbraw/zinc/53/59/65/1024535965.db2.gz WKNXBZBMJPEACP-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985467 1024541721 /nfs/dbraw/zinc/54/17/21/1024541721.db2.gz IWGQGSWHDLVMEQ-ZDUSSCGKSA-N 1 2 333.432 3.612 20 0 EHADLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985467 1024541726 /nfs/dbraw/zinc/54/17/26/1024541726.db2.gz IWGQGSWHDLVMEQ-ZDUSSCGKSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536485613 1024542783 /nfs/dbraw/zinc/54/27/83/1024542783.db2.gz MPYZLCZEHVKJOD-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536485613 1024542792 /nfs/dbraw/zinc/54/27/92/1024542792.db2.gz MPYZLCZEHVKJOD-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)[nH]1 ZINC000277308720 1024550913 /nfs/dbraw/zinc/55/09/13/1024550913.db2.gz SIPYCVTZVJYGCM-XQQFMLRXSA-N 1 2 332.496 3.990 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000346247259 1024567700 /nfs/dbraw/zinc/56/77/00/1024567700.db2.gz ARZBTCQFGMVKTH-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](c2ccccc2)C(F)(F)F)c[nH+]1 ZINC000514584603 1024581976 /nfs/dbraw/zinc/58/19/76/1024581976.db2.gz YGAGUGUAZUHKTE-OAHLLOKOSA-N 1 2 337.345 3.801 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCCCC3)cc2)c[nH+]1 ZINC000895536073 1024592665 /nfs/dbraw/zinc/59/26/65/1024592665.db2.gz GUTBSQGDGIKCRO-UHFFFAOYSA-N 1 2 340.471 3.946 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)c(F)c1 ZINC000895559476 1024612004 /nfs/dbraw/zinc/61/20/04/1024612004.db2.gz LHPARJKAAPJGPJ-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3cnc(C(F)(F)F)c3C2)c(F)c1 ZINC000895559476 1024612009 /nfs/dbraw/zinc/61/20/09/1024612009.db2.gz LHPARJKAAPJGPJ-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000026475458 1024612287 /nfs/dbraw/zinc/61/22/87/1024612287.db2.gz FLKJWWRHRABRAB-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000026475458 1024612291 /nfs/dbraw/zinc/61/22/91/1024612291.db2.gz FLKJWWRHRABRAB-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO CCOCC[N@H+](C)Cc1cc(OC(F)F)ccc1Br ZINC000648021965 1024632504 /nfs/dbraw/zinc/63/25/04/1024632504.db2.gz TTWURNXATVHJEV-UHFFFAOYSA-N 1 2 338.192 3.519 20 0 EHADLO CCOCC[N@@H+](C)Cc1cc(OC(F)F)ccc1Br ZINC000648021965 1024632508 /nfs/dbraw/zinc/63/25/08/1024632508.db2.gz TTWURNXATVHJEV-UHFFFAOYSA-N 1 2 338.192 3.519 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(Cl)c1 ZINC000505608894 1024634741 /nfs/dbraw/zinc/63/47/41/1024634741.db2.gz HTLQRRADYZCGAJ-RHSMWYFYSA-N 1 2 343.858 3.860 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135438 1024645291 /nfs/dbraw/zinc/64/52/91/1024645291.db2.gz PSTMSTMWEGBZHY-MNOVXSKESA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135438 1024645301 /nfs/dbraw/zinc/64/53/01/1024645301.db2.gz PSTMSTMWEGBZHY-MNOVXSKESA-N 1 2 334.407 3.941 20 0 EHADLO CCCC(C)(C)CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672195 1024652779 /nfs/dbraw/zinc/65/27/79/1024652779.db2.gz PIMIZXWFYANTGI-UHFFFAOYSA-N 1 2 337.533 3.824 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514696632 1024678116 /nfs/dbraw/zinc/67/81/16/1024678116.db2.gz NOFQSWQIIFLYKG-MRXNPFEDSA-N 1 2 336.395 3.542 20 0 EHADLO Cc1c(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cnn1C(C)C ZINC000514712119 1024687931 /nfs/dbraw/zinc/68/79/31/1024687931.db2.gz YQVNTCGTRWGSLK-UHFFFAOYSA-N 1 2 337.427 3.639 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000895654639 1024691601 /nfs/dbraw/zinc/69/16/01/1024691601.db2.gz WLHWEJJXATWUIP-UHFFFAOYSA-N 1 2 325.456 3.769 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCOc3ccccc3C)n2)cc1 ZINC000514716930 1024693474 /nfs/dbraw/zinc/69/34/74/1024693474.db2.gz NPGOAJQQQXYASV-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCOc3ccccc3C)n2)cc1 ZINC000514716930 1024693479 /nfs/dbraw/zinc/69/34/79/1024693479.db2.gz NPGOAJQQQXYASV-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO COc1cccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1F ZINC000505633401 1024702676 /nfs/dbraw/zinc/70/26/76/1024702676.db2.gz HDVUOQCFMKBCQG-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Br)c1cncs1 ZINC000897931218 1033229780 /nfs/dbraw/zinc/22/97/80/1033229780.db2.gz XGYPXZUFYOEHNJ-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c(F)cccc2Cl)CCN1 ZINC000052834102 1024715799 /nfs/dbraw/zinc/71/57/99/1024715799.db2.gz GTRXLPMDTSCUEO-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2c(F)cccc2Cl)CCN1 ZINC000052834102 1024715814 /nfs/dbraw/zinc/71/58/14/1024715814.db2.gz GTRXLPMDTSCUEO-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO CC(C)(CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425313134 1024732410 /nfs/dbraw/zinc/73/24/10/1024732410.db2.gz LJDXUHAPGRPMNU-KRWDZBQOSA-N 1 2 325.456 3.874 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000514796597 1024747805 /nfs/dbraw/zinc/74/78/05/1024747805.db2.gz KZPLUQSPOCOMTM-AWEZNQCLSA-N 1 2 327.428 3.686 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000514796597 1024747821 /nfs/dbraw/zinc/74/78/21/1024747821.db2.gz KZPLUQSPOCOMTM-AWEZNQCLSA-N 1 2 327.428 3.686 20 0 EHADLO CC(C)n1cncc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000425324838 1024755175 /nfs/dbraw/zinc/75/51/75/1024755175.db2.gz LETJKWCDBWILFE-IBGZPJMESA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1cncc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000425324838 1024755190 /nfs/dbraw/zinc/75/51/90/1024755190.db2.gz LETJKWCDBWILFE-IBGZPJMESA-N 1 2 331.435 3.784 20 0 EHADLO CON(C)C(=O)c1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1 ZINC000895133637 1024765703 /nfs/dbraw/zinc/76/57/03/1024765703.db2.gz NVRNCVRXCUMJGQ-UHFFFAOYSA-N 1 2 339.439 3.514 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725997 1024771003 /nfs/dbraw/zinc/77/10/03/1024771003.db2.gz RIUSJYILOKBQKG-TWGQIWQCSA-N 1 2 345.296 3.802 20 0 EHADLO CCN(Cc1occc1C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425329598 1024777030 /nfs/dbraw/zinc/77/70/30/1024777030.db2.gz QYAHSNHXSDIWLA-QGZVFWFLSA-N 1 2 337.423 3.882 20 0 EHADLO O=C([C@@H]1CC=CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435325055 1024784505 /nfs/dbraw/zinc/78/45/05/1024784505.db2.gz COVTULZDRWRXLQ-QGZVFWFLSA-N 1 2 343.858 3.922 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(N=S(C)(C)=O)c2)c1C ZINC000895733588 1024787386 /nfs/dbraw/zinc/78/73/86/1024787386.db2.gz GRDBGEDJWJMWSX-UHFFFAOYSA-N 1 2 333.457 3.678 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)ccn1 ZINC000346507541 1024787939 /nfs/dbraw/zinc/78/79/39/1024787939.db2.gz ZTVDMUZULHSCGE-IBGZPJMESA-N 1 2 341.361 3.643 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485274 1024793241 /nfs/dbraw/zinc/79/32/41/1024793241.db2.gz LZWQGENCYPNZTG-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485274 1024793255 /nfs/dbraw/zinc/79/32/55/1024793255.db2.gz LZWQGENCYPNZTG-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1Cl ZINC000563203750 1024799885 /nfs/dbraw/zinc/79/98/85/1024799885.db2.gz HKVJQBCAEDXFTO-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427817723 1024802333 /nfs/dbraw/zinc/80/23/33/1024802333.db2.gz GIVBXMABCSHZET-IRXDYDNUSA-N 1 2 339.426 3.966 20 0 EHADLO Cc1c[nH]cc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435335676 1024802814 /nfs/dbraw/zinc/80/28/14/1024802814.db2.gz MCJYRSKDTVIBML-UHFFFAOYSA-N 1 2 342.830 3.516 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c[nH+]1 ZINC000895764486 1024808332 /nfs/dbraw/zinc/80/83/32/1024808332.db2.gz HTTNVUSFHPQJLE-UHFFFAOYSA-N 1 2 341.430 3.772 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2oc3ccccc3c2C)c[nH+]1 ZINC000895774060 1024817844 /nfs/dbraw/zinc/81/78/44/1024817844.db2.gz JBQQGNZHTVDCNJ-AWEZNQCLSA-N 1 2 325.412 3.859 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)cc1Cl ZINC000375655977 1024845842 /nfs/dbraw/zinc/84/58/42/1024845842.db2.gz OKHXLUPAEATWLZ-YVEFUNNKSA-N 1 2 331.847 3.877 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(O)c2)c2ccco2)cc1 ZINC000346560631 1024863822 /nfs/dbraw/zinc/86/38/22/1024863822.db2.gz HUQUSVYGDRQFQH-HXUWFJFHSA-N 1 2 339.391 3.882 20 0 EHADLO CSc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)ccn1 ZINC000346562544 1024866527 /nfs/dbraw/zinc/86/65/27/1024866527.db2.gz NSFFNFANELXEAQ-SFHVURJKSA-N 1 2 340.427 3.612 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)n1 ZINC000895822784 1024876476 /nfs/dbraw/zinc/87/64/76/1024876476.db2.gz KSUGSPPWKSVJML-LLVKDONJSA-N 1 2 344.406 3.648 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)n1 ZINC000895822784 1024876489 /nfs/dbraw/zinc/87/64/89/1024876489.db2.gz KSUGSPPWKSVJML-LLVKDONJSA-N 1 2 344.406 3.648 20 0 EHADLO Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000487408465 1024915348 /nfs/dbraw/zinc/91/53/48/1024915348.db2.gz JQQYRJSXUSSBJH-QGZVFWFLSA-N 1 2 333.435 3.884 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000105347917 1024923299 /nfs/dbraw/zinc/92/32/99/1024923299.db2.gz LKLZCXZCFFVRQM-UHFFFAOYSA-N 1 2 338.333 3.771 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)c3cccc(F)c3F)ccc2[nH+]1 ZINC000346621241 1024933174 /nfs/dbraw/zinc/93/31/74/1024933174.db2.gz BQULQYRCKYGWOS-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761052238 1033247016 /nfs/dbraw/zinc/24/70/16/1033247016.db2.gz OEEVEEGINOGGGF-NEPJUHHUSA-N 1 2 325.334 3.990 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761052238 1033247034 /nfs/dbraw/zinc/24/70/34/1033247034.db2.gz OEEVEEGINOGGGF-NEPJUHHUSA-N 1 2 325.334 3.990 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000346606951 1024947408 /nfs/dbraw/zinc/94/74/08/1024947408.db2.gz KAYSLOIHZYLMQF-FCEWJHQRSA-N 1 2 337.467 3.631 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1OC(F)F ZINC000042103384 1024988368 /nfs/dbraw/zinc/98/83/68/1024988368.db2.gz HXMXBDPXGMDJPK-GFCCVEGCSA-N 1 2 333.342 3.528 20 0 EHADLO CCCC[C@H](CCC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120075814 1033253078 /nfs/dbraw/zinc/25/30/78/1033253078.db2.gz SOZPTOQCJJNBMJ-IRXDYDNUSA-N 1 2 334.508 3.743 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001167526242 1025011167 /nfs/dbraw/zinc/01/11/67/1025011167.db2.gz TXTONXBJIYRZSN-CYBMUJFWSA-N 1 2 342.842 3.920 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001167526242 1025011179 /nfs/dbraw/zinc/01/11/79/1025011179.db2.gz TXTONXBJIYRZSN-CYBMUJFWSA-N 1 2 342.842 3.920 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Cl)ccc2F)c1C ZINC000346697004 1025021035 /nfs/dbraw/zinc/02/10/35/1025021035.db2.gz ZCWKZWFQTPIHGE-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1sccc1C1CC1 ZINC000346683007 1025029920 /nfs/dbraw/zinc/02/99/20/1025029920.db2.gz NJAQQCGNXAQKMV-OAHLLOKOSA-N 1 2 340.492 3.972 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1sccc1C1CC1 ZINC000346683007 1025029935 /nfs/dbraw/zinc/02/99/35/1025029935.db2.gz NJAQQCGNXAQKMV-OAHLLOKOSA-N 1 2 340.492 3.972 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000515118915 1025031095 /nfs/dbraw/zinc/03/10/95/1025031095.db2.gz WAUAWXUSEBRSCA-AWEZNQCLSA-N 1 2 331.485 3.711 20 0 EHADLO COc1ccc(N(Cc2ccccc2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000346728081 1025042073 /nfs/dbraw/zinc/04/20/73/1025042073.db2.gz AGEJGKQZUDHKIU-UHFFFAOYSA-N 1 2 335.407 3.515 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)o1 ZINC000428213708 1025051175 /nfs/dbraw/zinc/05/11/75/1025051175.db2.gz VKYXUKVDVLKBCV-IRXDYDNUSA-N 1 2 348.487 3.879 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)o1 ZINC000428213708 1025051181 /nfs/dbraw/zinc/05/11/81/1025051181.db2.gz VKYXUKVDVLKBCV-IRXDYDNUSA-N 1 2 348.487 3.879 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435660404 1025052853 /nfs/dbraw/zinc/05/28/53/1025052853.db2.gz VNEUYUOECCLMOJ-ZWOKBUDYSA-N 1 2 341.426 3.754 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761052309 1033260515 /nfs/dbraw/zinc/26/05/15/1033260515.db2.gz XGKQBVLGXCYAJI-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761052309 1033260521 /nfs/dbraw/zinc/26/05/21/1033260521.db2.gz XGKQBVLGXCYAJI-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000896022328 1025084529 /nfs/dbraw/zinc/08/45/29/1025084529.db2.gz SUXUTQQOJBJTSN-CQSZACIVSA-N 1 2 347.436 3.547 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cn(Cc2ccccc2)nn1 ZINC000896030977 1025086527 /nfs/dbraw/zinc/08/65/27/1025086527.db2.gz QGBXRXQATOZHIB-UHFFFAOYSA-N 1 2 339.468 3.587 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](c2cccnc2)C(C)C)c1C ZINC000435696368 1025086868 /nfs/dbraw/zinc/08/68/68/1025086868.db2.gz JDJICWDEWKWAAN-SFHVURJKSA-N 1 2 341.455 3.500 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)C2 ZINC000582049111 1025090900 /nfs/dbraw/zinc/09/09/00/1025090900.db2.gz DMVCHWALHOTIMR-RBSFLKMASA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)CC2 ZINC000582049111 1025090910 /nfs/dbraw/zinc/09/09/10/1025090910.db2.gz DMVCHWALHOTIMR-RBSFLKMASA-N 1 2 331.504 3.969 20 0 EHADLO O=C(Nc1nc2ccsc2s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346783888 1025095082 /nfs/dbraw/zinc/09/50/82/1025095082.db2.gz JGNGBDGBFXGQTP-UHFFFAOYSA-N 1 2 340.433 3.855 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000281497483 1025112741 /nfs/dbraw/zinc/11/27/41/1025112741.db2.gz GOTMQYGZVNJFNY-SFHVURJKSA-N 1 2 333.863 3.999 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000281497483 1025112745 /nfs/dbraw/zinc/11/27/45/1025112745.db2.gz GOTMQYGZVNJFNY-SFHVURJKSA-N 1 2 333.863 3.999 20 0 EHADLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1csc(C(F)(F)F)n1 ZINC000896068242 1025120349 /nfs/dbraw/zinc/12/03/49/1025120349.db2.gz KCGYJQMQXQVSAV-UHFFFAOYSA-N 1 2 344.358 3.565 20 0 EHADLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1csc(C(F)(F)F)n1 ZINC000896068242 1025120358 /nfs/dbraw/zinc/12/03/58/1025120358.db2.gz KCGYJQMQXQVSAV-UHFFFAOYSA-N 1 2 344.358 3.565 20 0 EHADLO FC1(F)CC[C@@H](c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)C1 ZINC000281516895 1025120335 /nfs/dbraw/zinc/12/03/35/1025120335.db2.gz VIDOUIZCVHBFQZ-CQSZACIVSA-N 1 2 330.338 3.884 20 0 EHADLO Cc1ccc(CC[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000346818638 1025146136 /nfs/dbraw/zinc/14/61/36/1025146136.db2.gz GMWJQQMAERKSDB-HNNXBMFYSA-N 1 2 337.423 3.584 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000167562323 1025178030 /nfs/dbraw/zinc/17/80/30/1025178030.db2.gz LHLVISAWTNEHGG-GFCCVEGCSA-N 1 2 339.418 3.844 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000281565729 1025219896 /nfs/dbraw/zinc/21/98/96/1025219896.db2.gz KCEPQQAHNHKCCX-AUUYWEPGSA-N 1 2 331.435 3.874 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000281565729 1025219905 /nfs/dbraw/zinc/21/99/05/1025219905.db2.gz KCEPQQAHNHKCCX-AUUYWEPGSA-N 1 2 331.435 3.874 20 0 EHADLO C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192930282 1025225598 /nfs/dbraw/zinc/22/55/98/1025225598.db2.gz URNKFVQDIMVDIK-HNNXBMFYSA-N 1 2 346.434 3.938 20 0 EHADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(Sc2ccccc2)n1 ZINC000346837830 1025227480 /nfs/dbraw/zinc/22/74/80/1025227480.db2.gz CURMTRQTJXNRPW-UHFFFAOYSA-N 1 2 335.432 3.919 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ncc(Br)cn2)s1 ZINC000346840115 1025229132 /nfs/dbraw/zinc/22/91/32/1025229132.db2.gz KFDGQNBGUOBWSN-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ncc(Br)cn2)s1 ZINC000346840115 1025229136 /nfs/dbraw/zinc/22/91/36/1025229136.db2.gz KFDGQNBGUOBWSN-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO CC[C@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@@H+]1CCO[C@H](CC)C1 ZINC000896217076 1025253033 /nfs/dbraw/zinc/25/30/33/1025253033.db2.gz ILIDKTLGIRIVGM-CXAGYDPISA-N 1 2 340.427 3.780 20 0 EHADLO CC[C@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@H+]1CCO[C@H](CC)C1 ZINC000896217076 1025253043 /nfs/dbraw/zinc/25/30/43/1025253043.db2.gz ILIDKTLGIRIVGM-CXAGYDPISA-N 1 2 340.427 3.780 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C)c1ncc(Br)cn1 ZINC000346883513 1025253640 /nfs/dbraw/zinc/25/36/40/1025253640.db2.gz LWEJQJRMZHIUFG-SNVBAGLBSA-N 1 2 326.263 3.884 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C)c1ncc(Br)cn1 ZINC000346883513 1025253647 /nfs/dbraw/zinc/25/36/47/1025253647.db2.gz LWEJQJRMZHIUFG-SNVBAGLBSA-N 1 2 326.263 3.884 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccnc1Cl ZINC000896225229 1025257820 /nfs/dbraw/zinc/25/78/20/1025257820.db2.gz VZYJCZWCBRCZEN-NSHDSACASA-N 1 2 326.696 3.741 20 0 EHADLO Fc1c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccnc1Cl ZINC000896225229 1025257832 /nfs/dbraw/zinc/25/78/32/1025257832.db2.gz VZYJCZWCBRCZEN-NSHDSACASA-N 1 2 326.696 3.741 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000728470842 1025265091 /nfs/dbraw/zinc/26/50/91/1025265091.db2.gz RGESHIQBELQWQL-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO Cc1cc(F)ccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474647162 1025270723 /nfs/dbraw/zinc/27/07/23/1025270723.db2.gz ZCRVEYIQUAVWID-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1cc(F)ccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474647162 1025270737 /nfs/dbraw/zinc/27/07/37/1025270737.db2.gz ZCRVEYIQUAVWID-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@H](C)CC3)cn2c1 ZINC000474649422 1025272923 /nfs/dbraw/zinc/27/29/23/1025272923.db2.gz JIAJTGNLPMOQGM-HOCLYGCPSA-N 1 2 345.512 3.961 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(C)c1Cl ZINC000442436700 1025318228 /nfs/dbraw/zinc/31/82/28/1025318228.db2.gz CVVUTPDVKQKURV-CQSZACIVSA-N 1 2 344.846 3.752 20 0 EHADLO CCN(c1ccccc1)c1cc(N2CCC(n3cc[nH+]c3)CC2)ncn1 ZINC000515531493 1025326228 /nfs/dbraw/zinc/32/62/28/1025326228.db2.gz MQISGGNPDFCEOZ-UHFFFAOYSA-N 1 2 348.454 3.673 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccc(F)cc1 ZINC000346933156 1025326643 /nfs/dbraw/zinc/32/66/43/1025326643.db2.gz KPGVYLRMCFGNAD-UHFFFAOYSA-N 1 2 349.475 3.616 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000458365929 1025338699 /nfs/dbraw/zinc/33/86/99/1025338699.db2.gz LGYRZTAOZHDSRA-CKEIUWERSA-N 1 2 343.858 3.685 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000515548033 1025340204 /nfs/dbraw/zinc/34/02/04/1025340204.db2.gz CEPLELCOJLPZLI-AWEZNQCLSA-N 1 2 326.431 3.728 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000515548033 1025340216 /nfs/dbraw/zinc/34/02/16/1025340216.db2.gz CEPLELCOJLPZLI-AWEZNQCLSA-N 1 2 326.431 3.728 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C/c1ccccc1F ZINC000346954335 1025345822 /nfs/dbraw/zinc/34/58/22/1025345822.db2.gz LCHZQQDXSSUCFE-RMKNXTFCSA-N 1 2 343.446 3.927 20 0 EHADLO Cc1cc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC000436078898 1025372856 /nfs/dbraw/zinc/37/28/56/1025372856.db2.gz QZJHNYJTBZRXEJ-UHFFFAOYSA-N 1 2 337.398 3.651 20 0 EHADLO CCn1cc(CC[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1 ZINC000375671522 1025401683 /nfs/dbraw/zinc/40/16/83/1025401683.db2.gz HTTVNODHYOVOHH-UHFFFAOYSA-N 1 2 328.847 3.639 20 0 EHADLO CCn1cc(CC[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1 ZINC000375671522 1025401687 /nfs/dbraw/zinc/40/16/87/1025401687.db2.gz HTTVNODHYOVOHH-UHFFFAOYSA-N 1 2 328.847 3.639 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncnn1CCF)c1ccc(Cl)cc1F ZINC000281715901 1025403094 /nfs/dbraw/zinc/40/30/94/1025403094.db2.gz UYPHVGHHTDBODJ-OAHLLOKOSA-N 1 2 328.794 3.527 20 0 EHADLO COCCCC[C@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000425476750 1025415816 /nfs/dbraw/zinc/41/58/16/1025415816.db2.gz LTNDNLDFSFIGDV-ZDUSSCGKSA-N 1 2 325.359 3.655 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1(F)F ZINC000436185315 1025436981 /nfs/dbraw/zinc/43/69/81/1025436981.db2.gz LRAXIEBKGYEISP-ABAIWWIYSA-N 1 2 331.366 3.726 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2)cs1 ZINC000521531482 1025443803 /nfs/dbraw/zinc/44/38/03/1025443803.db2.gz OCTYEVZMOWJDJD-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+]Cc3cn(C)cn3)c(C(C)(C)C)n2)cc1 ZINC000898045032 1033284118 /nfs/dbraw/zinc/28/41/18/1033284118.db2.gz GMIUEKRMCORKEO-UHFFFAOYSA-N 1 2 337.471 3.502 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCC2(CC2)C1 ZINC000896479403 1025485653 /nfs/dbraw/zinc/48/56/53/1025485653.db2.gz OWJCJILOMZYWJD-MSOLQXFVSA-N 1 2 338.455 3.646 20 0 EHADLO c1c(CNc2cccc[nH+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000121570437 1025508373 /nfs/dbraw/zinc/50/83/73/1025508373.db2.gz PPNVCIZRVMPYRO-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(N3CCCCC3)cc2)no1)n1cc[nH+]c1 ZINC000521631936 1025535414 /nfs/dbraw/zinc/53/54/14/1025535414.db2.gz ORAGMFCHWWZOKD-OAHLLOKOSA-N 1 2 337.427 3.727 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C ZINC000521644083 1025548879 /nfs/dbraw/zinc/54/88/79/1025548879.db2.gz XBDKTAASNHIKAB-AWEZNQCLSA-N 1 2 339.439 3.788 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C ZINC000521644083 1025548890 /nfs/dbraw/zinc/54/88/90/1025548890.db2.gz XBDKTAASNHIKAB-AWEZNQCLSA-N 1 2 339.439 3.788 20 0 EHADLO Cc1cccnc1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000521681040 1025580818 /nfs/dbraw/zinc/58/08/18/1025580818.db2.gz MCTKGDCYHUDSKU-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO CC1(Cc2noc(-c3ccccc3C[NH+]3CCOCC3)n2)CCCC1 ZINC000685403793 1033292369 /nfs/dbraw/zinc/29/23/69/1033292369.db2.gz UFHHCKVOKXQXHI-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000515781220 1025594645 /nfs/dbraw/zinc/59/46/45/1025594645.db2.gz RVRIZINHYWWHGH-KRWDZBQOSA-N 1 2 328.431 3.583 20 0 EHADLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2Br)c1 ZINC000247843918 1025598942 /nfs/dbraw/zinc/59/89/42/1025598942.db2.gz OYGHRRWHZKTWTL-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2Br)c1 ZINC000247843918 1025598952 /nfs/dbraw/zinc/59/89/52/1025598952.db2.gz OYGHRRWHZKTWTL-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO CCCc1nc(C)c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530296285 1025606249 /nfs/dbraw/zinc/60/62/49/1025606249.db2.gz YDDOLNCTPHAZCS-LBPRGKRZSA-N 1 2 346.500 3.994 20 0 EHADLO CCCc1nc(C)c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530296285 1025606256 /nfs/dbraw/zinc/60/62/56/1025606256.db2.gz YDDOLNCTPHAZCS-LBPRGKRZSA-N 1 2 346.500 3.994 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCSCC[C@H]3C)n2)c1 ZINC000329156760 1025632441 /nfs/dbraw/zinc/63/24/41/1025632441.db2.gz CAYZLRGMXZKTBG-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCSCC[C@H]3C)n2)c1 ZINC000329156760 1025632457 /nfs/dbraw/zinc/63/24/57/1025632457.db2.gz CAYZLRGMXZKTBG-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)cc1C ZINC000530318290 1025648982 /nfs/dbraw/zinc/64/89/82/1025648982.db2.gz JOPFSJARFSOGQG-AWEZNQCLSA-N 1 2 341.455 3.902 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)cc1C ZINC000530318290 1025648992 /nfs/dbraw/zinc/64/89/92/1025648992.db2.gz JOPFSJARFSOGQG-AWEZNQCLSA-N 1 2 341.455 3.902 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC000451184820 1025656498 /nfs/dbraw/zinc/65/64/98/1025656498.db2.gz MFVBMSMSFWALIZ-AWEZNQCLSA-N 1 2 327.419 3.510 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]1 ZINC000436399648 1025677208 /nfs/dbraw/zinc/67/72/08/1025677208.db2.gz FUPGBXFHDYEHQK-MRVPVSSYSA-N 1 2 332.757 3.890 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000443085233 1025694995 /nfs/dbraw/zinc/69/49/95/1025694995.db2.gz ALZDFHQZMALLBK-ZBFHGGJFSA-N 1 2 344.434 3.779 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@@H]4C[C@@H]4c4ccccc4)no3)c2)c[nH+]1 ZINC000347241966 1025714702 /nfs/dbraw/zinc/71/47/02/1025714702.db2.gz KAHVDXVYYYXSHS-HZPDHXFCSA-N 1 2 329.363 3.588 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCC(=O)c3ccc(Cl)cn3)cc2[nH+]1 ZINC000346084007 1025715685 /nfs/dbraw/zinc/71/56/85/1025715685.db2.gz GMXKZKZZUWZTBU-UHFFFAOYSA-N 1 2 342.786 3.521 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000582271443 1025728586 /nfs/dbraw/zinc/72/85/86/1025728586.db2.gz ZTIGCRCPQLIFRD-QGZVFWFLSA-N 1 2 334.423 3.821 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(F)cc1 ZINC000121726817 1025739263 /nfs/dbraw/zinc/73/92/63/1025739263.db2.gz QMDVDHWSASTGTM-HNNXBMFYSA-N 1 2 346.427 3.563 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(F)cc1 ZINC000121726817 1025739282 /nfs/dbraw/zinc/73/92/82/1025739282.db2.gz QMDVDHWSASTGTM-HNNXBMFYSA-N 1 2 346.427 3.563 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc([S@@](C)=O)cc1 ZINC000342475098 1025743856 /nfs/dbraw/zinc/74/38/56/1025743856.db2.gz YCQJBJMRGCXHQM-JBEBIEQOSA-N 1 2 340.448 3.930 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081317132 1025749168 /nfs/dbraw/zinc/74/91/68/1025749168.db2.gz GYDNCNXQVSUVMS-PXNSSMCTSA-N 1 2 347.462 3.932 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCOc3ccc(Br)cc32)no1 ZINC000281943614 1025752913 /nfs/dbraw/zinc/75/29/13/1025752913.db2.gz BQEPUYFFFSRNAO-GWCFXTLKSA-N 1 2 337.217 3.920 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000366642971 1025759050 /nfs/dbraw/zinc/75/90/50/1025759050.db2.gz PJSQPKQSPPHPLW-IBGZPJMESA-N 1 2 345.446 3.790 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000081318760 1025764443 /nfs/dbraw/zinc/76/44/43/1025764443.db2.gz WHKOZGKHBPHYDF-RHSMWYFYSA-N 1 2 339.464 3.685 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000521896559 1025769639 /nfs/dbraw/zinc/76/96/39/1025769639.db2.gz QFNYUDSETZVJID-JGGQBBKZSA-N 1 2 333.476 3.673 20 0 EHADLO CCC(=O)c1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000530411459 1025783886 /nfs/dbraw/zinc/78/38/86/1025783886.db2.gz MPMUEBBRZJHECQ-UHFFFAOYSA-N 1 2 346.390 3.876 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc3c(Cl)ccc(C)c3n1)C2 ZINC000896659767 1025797577 /nfs/dbraw/zinc/79/75/77/1025797577.db2.gz FZOXXRBMWZMMGO-UHFFFAOYSA-N 1 2 326.831 3.976 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2cc(Cl)cc3c2OCC3)c1 ZINC000896665060 1025838162 /nfs/dbraw/zinc/83/81/62/1025838162.db2.gz BIKYRRRDTIIUHB-LLVKDONJSA-N 1 2 346.814 3.559 20 0 EHADLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000444177667 1025859512 /nfs/dbraw/zinc/85/95/12/1025859512.db2.gz YZVMERNVVLQWJL-LLVKDONJSA-N 1 2 345.270 3.557 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1Cl ZINC000353237956 1025862121 /nfs/dbraw/zinc/86/21/21/1025862121.db2.gz WKVLSUYUKQVBSW-CYBMUJFWSA-N 1 2 336.794 3.623 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1Cl ZINC000353237956 1025862133 /nfs/dbraw/zinc/86/21/33/1025862133.db2.gz WKVLSUYUKQVBSW-CYBMUJFWSA-N 1 2 336.794 3.623 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451360788 1025866698 /nfs/dbraw/zinc/86/66/98/1025866698.db2.gz YNSJHTDCKWTRPX-PSLIRLAXSA-N 1 2 339.798 3.810 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2O1 ZINC000530458852 1025868301 /nfs/dbraw/zinc/86/83/01/1025868301.db2.gz LDALIUZJANKJPU-UHFFFAOYSA-N 1 2 347.418 3.897 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nccn2C(C)C)c(OC[C@H]2CCCO2)c1 ZINC000657393466 1025892690 /nfs/dbraw/zinc/89/26/90/1025892690.db2.gz AHDNXCNYIHKEPI-GOSISDBHSA-N 1 2 343.471 3.620 20 0 EHADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000451373367 1025903655 /nfs/dbraw/zinc/90/36/55/1025903655.db2.gz HOEQIVWWJFIFHH-OAQYLSRUSA-N 1 2 343.279 3.628 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000451373367 1025903670 /nfs/dbraw/zinc/90/36/70/1025903670.db2.gz HOEQIVWWJFIFHH-OAQYLSRUSA-N 1 2 343.279 3.628 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000669573366 1025916577 /nfs/dbraw/zinc/91/65/77/1025916577.db2.gz OZBKTTSNIQJMQI-UHFFFAOYSA-N 1 2 334.407 3.565 20 0 EHADLO Cc1[nH]c(CNC(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)[nH+]c1C ZINC000896910546 1025938731 /nfs/dbraw/zinc/93/87/31/1025938731.db2.gz ACPOTYCDHAXKJF-UHFFFAOYSA-N 1 2 341.455 3.640 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](Cc2ccco2)C(C)C)c1C ZINC000444246582 1025965919 /nfs/dbraw/zinc/96/59/19/1025965919.db2.gz LLYMSLNRPOOSDG-UHFFFAOYSA-N 1 2 346.471 3.828 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccco2)C(C)C)c1C ZINC000444246582 1025965930 /nfs/dbraw/zinc/96/59/30/1025965930.db2.gz LLYMSLNRPOOSDG-UHFFFAOYSA-N 1 2 346.471 3.828 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[C@H]1C ZINC000451474132 1025988784 /nfs/dbraw/zinc/98/87/84/1025988784.db2.gz YFFGGNVOQUPDFB-ZJPYXAASSA-N 1 2 343.515 3.998 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000451460845 1026007105 /nfs/dbraw/zinc/00/71/05/1026007105.db2.gz AFWPEEHDPXGKCC-HNNXBMFYSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896920885 1026036872 /nfs/dbraw/zinc/03/68/72/1026036872.db2.gz VVBOTBJGMYYOTA-QWHCGFSZSA-N 1 2 338.238 3.753 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000314621673 1026064905 /nfs/dbraw/zinc/06/49/05/1026064905.db2.gz JXAPQXKUYRCUIV-JQWIXIFHSA-N 1 2 334.466 3.817 20 0 EHADLO CO[C@H](c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)C1CCCC1 ZINC000896820282 1026081061 /nfs/dbraw/zinc/08/10/61/1026081061.db2.gz BNSXMBWBVHXBFW-SFHVURJKSA-N 1 2 338.411 3.724 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561680 1026083767 /nfs/dbraw/zinc/08/37/67/1026083767.db2.gz ILVZDEGPODLTNL-CJNGLKHVSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561680 1026083785 /nfs/dbraw/zinc/08/37/85/1026083785.db2.gz ILVZDEGPODLTNL-CJNGLKHVSA-N 1 2 338.879 3.722 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000455564719 1026090565 /nfs/dbraw/zinc/09/05/65/1026090565.db2.gz ITCMFLOJMGEFOK-CVEARBPZSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(C)nc(-c3ccccn3)n2)[nH+]c1C ZINC000895193152 1026093134 /nfs/dbraw/zinc/09/31/34/1026093134.db2.gz LWQHUCGMYRNPOW-MRXNPFEDSA-N 1 2 334.427 3.528 20 0 EHADLO CC(C)(C)c1cc(-c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)n[nH]1 ZINC000896825050 1026097518 /nfs/dbraw/zinc/09/75/18/1026097518.db2.gz FBDUNWRPBDFMLS-UHFFFAOYSA-N 1 2 348.410 3.534 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)o1 ZINC000451565810 1026118045 /nfs/dbraw/zinc/11/80/45/1026118045.db2.gz IKMSHBSVCJPECY-GWCFXTLKSA-N 1 2 336.233 3.691 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](c3cccc(Br)c3)C2)o1 ZINC000451565810 1026118052 /nfs/dbraw/zinc/11/80/52/1026118052.db2.gz IKMSHBSVCJPECY-GWCFXTLKSA-N 1 2 336.233 3.691 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)nc1 ZINC000451575660 1026125197 /nfs/dbraw/zinc/12/51/97/1026125197.db2.gz YCHDFAUVZXAHRJ-CQSZACIVSA-N 1 2 332.245 3.537 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)nc1 ZINC000451575660 1026125203 /nfs/dbraw/zinc/12/52/03/1026125203.db2.gz YCHDFAUVZXAHRJ-CQSZACIVSA-N 1 2 332.245 3.537 20 0 EHADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc2sccc2s1 ZINC000516221034 1026131222 /nfs/dbraw/zinc/13/12/22/1026131222.db2.gz VHZSBMKAXORIDS-UHFFFAOYSA-N 1 2 348.518 3.812 20 0 EHADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc2sccc2s1 ZINC000516221034 1026131235 /nfs/dbraw/zinc/13/12/35/1026131235.db2.gz VHZSBMKAXORIDS-UHFFFAOYSA-N 1 2 348.518 3.812 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000657418185 1026144442 /nfs/dbraw/zinc/14/44/42/1026144442.db2.gz ADIQKAHJWBNELT-MRXNPFEDSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000657418185 1026144443 /nfs/dbraw/zinc/14/44/43/1026144443.db2.gz ADIQKAHJWBNELT-MRXNPFEDSA-N 1 2 336.357 3.703 20 0 EHADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1sccc1-c1ccccc1 ZINC000152459435 1026153323 /nfs/dbraw/zinc/15/33/23/1026153323.db2.gz ADANNEDHIJMGTP-INIZCTEOSA-N 1 2 349.459 3.819 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000451654334 1026180190 /nfs/dbraw/zinc/18/01/90/1026180190.db2.gz UYRSDQBJTRMTKE-MRXNPFEDSA-N 1 2 341.542 3.586 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000451654334 1026180204 /nfs/dbraw/zinc/18/02/04/1026180204.db2.gz UYRSDQBJTRMTKE-MRXNPFEDSA-N 1 2 341.542 3.586 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@H]3C)n2)cc1 ZINC000530662468 1026196307 /nfs/dbraw/zinc/19/63/07/1026196307.db2.gz KFMJUEGSFIBPDM-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCc4ccccc4[C@H]3C)n2)cc1 ZINC000530662468 1026196317 /nfs/dbraw/zinc/19/63/17/1026196317.db2.gz KFMJUEGSFIBPDM-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000152486601 1026205573 /nfs/dbraw/zinc/20/55/73/1026205573.db2.gz LVFSQROSGQGBGQ-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO CCCCN(CC)C(=O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122119594 1026246735 /nfs/dbraw/zinc/24/67/35/1026246735.db2.gz JBPVYRLNLRFDGW-CQSZACIVSA-N 1 2 325.522 3.655 20 0 EHADLO CCCCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122119594 1026246744 /nfs/dbraw/zinc/24/67/44/1026246744.db2.gz JBPVYRLNLRFDGW-CQSZACIVSA-N 1 2 325.522 3.655 20 0 EHADLO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657428998 1026248666 /nfs/dbraw/zinc/24/86/66/1026248666.db2.gz PPXGGGQHRKWPFJ-INIZCTEOSA-N 1 2 332.835 3.660 20 0 EHADLO CCc1nc(N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc(C)[nH+]1 ZINC000342552168 1026252889 /nfs/dbraw/zinc/25/28/89/1026252889.db2.gz RCOLPSPUOHOANJ-UHFFFAOYSA-N 1 2 347.466 3.961 20 0 EHADLO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657428512 1026260311 /nfs/dbraw/zinc/26/03/11/1026260311.db2.gz JXCYSJZJQNBPKX-INIZCTEOSA-N 1 2 332.835 3.660 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837910 1026318366 /nfs/dbraw/zinc/31/83/66/1026318366.db2.gz MJQRFAKLZGPPQW-JZXOWHBKSA-N 1 2 330.472 3.986 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837910 1026318374 /nfs/dbraw/zinc/31/83/74/1026318374.db2.gz MJQRFAKLZGPPQW-JZXOWHBKSA-N 1 2 330.472 3.986 20 0 EHADLO NC(=O)[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000122209689 1026321236 /nfs/dbraw/zinc/32/12/36/1026321236.db2.gz JZLODEJQLBMVRT-GDBMZVCRSA-N 1 2 332.856 3.693 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(F)c2)s1 ZINC000122216940 1026324744 /nfs/dbraw/zinc/32/47/44/1026324744.db2.gz ZBEJIVDGIBGCDN-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(F)c2)s1 ZINC000122216940 1026324753 /nfs/dbraw/zinc/32/47/53/1026324753.db2.gz ZBEJIVDGIBGCDN-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000451899544 1026369259 /nfs/dbraw/zinc/36/92/59/1026369259.db2.gz XCFMESWAXJCRQI-GJZGRUSLSA-N 1 2 339.443 3.982 20 0 EHADLO Cn1c2cc(F)ccc2nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000431422286 1026383007 /nfs/dbraw/zinc/38/30/07/1026383007.db2.gz MWSBFLIERFAWTG-UHFFFAOYSA-N 1 2 341.434 3.606 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511141495 1026437259 /nfs/dbraw/zinc/43/72/59/1026437259.db2.gz MSCJPJKVJWUMKA-UHFFFAOYSA-N 1 2 326.843 3.606 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511141495 1026437261 /nfs/dbraw/zinc/43/72/61/1026437261.db2.gz MSCJPJKVJWUMKA-UHFFFAOYSA-N 1 2 326.843 3.606 20 0 EHADLO FC(F)c1nc2ccccc2c(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000530956692 1026443965 /nfs/dbraw/zinc/44/39/65/1026443965.db2.gz QRHRIFYIQVIGGS-UHFFFAOYSA-N 1 2 329.354 3.675 20 0 EHADLO CC[C@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159144846 1026500208 /nfs/dbraw/zinc/50/02/08/1026500208.db2.gz ALBZWPLCLFKPFK-INIZCTEOSA-N 1 2 342.443 3.759 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(CCCCF)no3)CC2)cs1 ZINC000897213079 1026500873 /nfs/dbraw/zinc/50/08/73/1026500873.db2.gz DPQDZTXYGAMJLD-UHFFFAOYSA-N 1 2 338.452 3.506 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)C1(C)C ZINC000248195419 1026527124 /nfs/dbraw/zinc/52/71/24/1026527124.db2.gz OYWDGWSKZJOZPD-IAGOWNOFSA-N 1 2 332.513 3.631 20 0 EHADLO CC(C)(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCC1 ZINC000452210081 1026576174 /nfs/dbraw/zinc/57/61/74/1026576174.db2.gz UGLPBCJQBUWIKI-UHFFFAOYSA-N 1 2 331.847 3.968 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1C ZINC000611624790 1026637420 /nfs/dbraw/zinc/63/74/20/1026637420.db2.gz QDNOWHFPXQGRQS-JFIYKMOQSA-N 1 2 344.503 3.696 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167965380 1026638096 /nfs/dbraw/zinc/63/80/96/1026638096.db2.gz YKCCVQQMBDGKEK-HOCLYGCPSA-N 1 2 328.460 3.904 20 0 EHADLO CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716489 1026656807 /nfs/dbraw/zinc/65/68/07/1026656807.db2.gz UIIYCJNFYYYSGC-LPHOPBHVSA-N 1 2 336.907 3.880 20 0 EHADLO CC(C)n1nccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277716016 1026660824 /nfs/dbraw/zinc/66/08/24/1026660824.db2.gz NXWUQZXKWNSBNT-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452331947 1026663879 /nfs/dbraw/zinc/66/38/79/1026663879.db2.gz LTNLIRLFWFDQOI-AWEZNQCLSA-N 1 2 339.439 3.800 20 0 EHADLO Cc1nc(-c2ccc(CNc3[nH+]c(C)nc4[nH]ccc43)cc2)cs1 ZINC000531195020 1026668037 /nfs/dbraw/zinc/66/80/37/1026668037.db2.gz QEWFIMOOXYSWAD-UHFFFAOYSA-N 1 2 335.436 3.732 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1-n1ccnn1 ZINC000582597096 1026693553 /nfs/dbraw/zinc/69/35/53/1026693553.db2.gz USNZSZALSOQDAZ-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO Brc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000301391288 1026789815 /nfs/dbraw/zinc/78/98/15/1026789815.db2.gz ZRTWQLXYBKSTDM-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757717 1026814971 /nfs/dbraw/zinc/81/49/71/1026814971.db2.gz MBBUQWGHPUQOLE-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757717 1026814974 /nfs/dbraw/zinc/81/49/74/1026814974.db2.gz MBBUQWGHPUQOLE-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO CCc1nc(Cl)c(C)c(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000301491092 1026825950 /nfs/dbraw/zinc/82/59/50/1026825950.db2.gz NATVYESXRIQBMI-UHFFFAOYSA-N 1 2 327.819 3.799 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1cccc(F)c1 ZINC000025417459 1026859088 /nfs/dbraw/zinc/85/90/88/1026859088.db2.gz OMXMFJJGWXARQF-HXUWFJFHSA-N 1 2 335.382 3.538 20 0 EHADLO COCc1cc(Oc2cccc(-n3cc[nH+]c3)c2)nc(C(C)(C)C)n1 ZINC000301626136 1026878857 /nfs/dbraw/zinc/87/88/57/1026878857.db2.gz GQJJDMALRDMDGF-UHFFFAOYSA-N 1 2 338.411 3.899 20 0 EHADLO Fc1ccc([C@H](NCCCn2cc[nH+]c2)C(F)(F)F)cc1Cl ZINC000277771937 1026883941 /nfs/dbraw/zinc/88/39/41/1026883941.db2.gz LHMFMRYWVQESSR-ZDUSSCGKSA-N 1 2 335.732 3.959 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301668324 1026893778 /nfs/dbraw/zinc/89/37/78/1026893778.db2.gz PIVKABYZTFVXPK-QKFKETGDSA-N 1 2 331.485 3.843 20 0 EHADLO Cc1ccnc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301665047 1026894308 /nfs/dbraw/zinc/89/43/08/1026894308.db2.gz ZOWKMBODIJUPSJ-CALCHBBNSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1ccnc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301665047 1026894319 /nfs/dbraw/zinc/89/43/19/1026894319.db2.gz ZOWKMBODIJUPSJ-CALCHBBNSA-N 1 2 325.456 3.611 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCS1 ZINC000277784332 1026926326 /nfs/dbraw/zinc/92/63/26/1026926326.db2.gz UNCLABMOXLTNLS-MRXNPFEDSA-N 1 2 327.453 3.721 20 0 EHADLO CCOc1cccc(C[N@H+](Cc2ccnc(OC(C)C)c2)C2CC2)n1 ZINC000342756066 1026965099 /nfs/dbraw/zinc/96/50/99/1026965099.db2.gz SJJKBFRZOVGUJD-UHFFFAOYSA-N 1 2 341.455 3.827 20 0 EHADLO CCOc1cccc(C[N@@H+](Cc2ccnc(OC(C)C)c2)C2CC2)n1 ZINC000342756066 1026965111 /nfs/dbraw/zinc/96/51/11/1026965111.db2.gz SJJKBFRZOVGUJD-UHFFFAOYSA-N 1 2 341.455 3.827 20 0 EHADLO CN(c1[nH+]cnc2c1cnn2C(C)(C)C)[C@@H]1CCc2ccccc2C1 ZINC000301883687 1026978176 /nfs/dbraw/zinc/97/81/76/1026978176.db2.gz LFEWVWNZHZKTOL-MRXNPFEDSA-N 1 2 335.455 3.575 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ncc(-c2ccccc2)o1 ZINC000301882320 1026978604 /nfs/dbraw/zinc/97/86/04/1026978604.db2.gz KOGUFUCXDNTOAA-UHFFFAOYSA-N 1 2 348.410 3.848 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2nc(C3CC3)cs2)cc1OC ZINC000342764805 1026982532 /nfs/dbraw/zinc/98/25/32/1026982532.db2.gz JSPSBNBFOKADIU-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2nc(C3CC3)cs2)cc1OC ZINC000342764805 1026982538 /nfs/dbraw/zinc/98/25/38/1026982538.db2.gz JSPSBNBFOKADIU-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO Cc1ncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(C)n1 ZINC000277805117 1026991295 /nfs/dbraw/zinc/99/12/95/1026991295.db2.gz WOPRBTDECPHRQK-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO COc1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000277809500 1027006373 /nfs/dbraw/zinc/00/63/73/1027006373.db2.gz YOIYYPYMPYPOHM-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452814810 1027018045 /nfs/dbraw/zinc/01/80/45/1027018045.db2.gz JYUHHQFUFLKLCD-UHFFFAOYSA-N 1 2 349.837 3.569 20 0 EHADLO Cc1nc(N2CCc3[nH]c4ccc(F)cc4c3C2)c2c([nH+]1)CCCC2 ZINC000302040765 1027032013 /nfs/dbraw/zinc/03/20/13/1027032013.db2.gz HWNBFYRWBKUNGB-UHFFFAOYSA-N 1 2 336.414 3.847 20 0 EHADLO c1cn(-c2ccc(CNc3ccnc(Cc4ccccc4)n3)cc2)c[nH+]1 ZINC000302051533 1027035636 /nfs/dbraw/zinc/03/56/36/1027035636.db2.gz XPULPHQEMMEXGL-UHFFFAOYSA-N 1 2 341.418 3.865 20 0 EHADLO Cc1nc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302068857 1027042023 /nfs/dbraw/zinc/04/20/23/1027042023.db2.gz DLNRCHIHFMLXAA-MRXNPFEDSA-N 1 2 335.810 3.602 20 0 EHADLO CCCN(CC(=O)Nc1ccccc1C)c1cc(CC)[nH+]c(C)n1 ZINC000302111674 1027056158 /nfs/dbraw/zinc/05/61/58/1027056158.db2.gz UPUQXZDOAZULEQ-UHFFFAOYSA-N 1 2 326.444 3.511 20 0 EHADLO Cc1nc(NCc2nccn2CCc2ccccc2)c2c([nH+]1)CCCC2 ZINC000302111704 1027056429 /nfs/dbraw/zinc/05/64/29/1027056429.db2.gz URGJQDXRAWWYOA-UHFFFAOYSA-N 1 2 347.466 3.715 20 0 EHADLO Cc1nc(N[C@@H](C)c2noc(-c3ccccc3)n2)c2c([nH+]1)CCCC2 ZINC000302116069 1027058843 /nfs/dbraw/zinc/05/88/43/1027058843.db2.gz WDAGYLKNYMKAQZ-LBPRGKRZSA-N 1 2 335.411 3.887 20 0 EHADLO CC(C)c1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)nc(C(C)C)[nH+]1 ZINC000302164408 1027075288 /nfs/dbraw/zinc/07/52/88/1027075288.db2.gz OPBROUQOCZWYBC-UHFFFAOYSA-N 1 2 325.416 3.505 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cs1 ZINC000272755197 1027096237 /nfs/dbraw/zinc/09/62/37/1027096237.db2.gz OPCGLTLBHOYVAG-XHDPSFHLSA-N 1 2 336.432 3.993 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cs1 ZINC000272755194 1027096956 /nfs/dbraw/zinc/09/69/56/1027096956.db2.gz OPCGLTLBHOYVAG-ABAIWWIYSA-N 1 2 336.432 3.993 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000125721198 1027119549 /nfs/dbraw/zinc/11/95/49/1027119549.db2.gz CGAJGPIBCNMVDD-WMLDXEAASA-N 1 2 343.858 3.678 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000277835287 1027128865 /nfs/dbraw/zinc/12/88/65/1027128865.db2.gz YXOMPRBEHHIYEQ-SWLSCSKDSA-N 1 2 339.361 3.638 20 0 EHADLO CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272846532 1027146115 /nfs/dbraw/zinc/14/61/15/1027146115.db2.gz ZISRHDRLDDILJD-RDTXWAMCSA-N 1 2 345.418 3.791 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2nc(-c3cccc(C)c3)c[nH]2)n1C ZINC000342800439 1027148116 /nfs/dbraw/zinc/14/81/16/1027148116.db2.gz RTSHYJOFHLNQTF-GOSISDBHSA-N 1 2 335.455 3.764 20 0 EHADLO COc1cccc2c(NCc3ccccc3N3CCOCC3)cc[nH+]c12 ZINC000302490436 1027166122 /nfs/dbraw/zinc/16/61/22/1027166122.db2.gz YWSZPXPPODSABH-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CCOc1ccc2c(c1)[C@H](Nc1nc(N)c3ccccc3[nH+]1)CCO2 ZINC000302491467 1027167641 /nfs/dbraw/zinc/16/76/41/1027167641.db2.gz ZXPTZMQSOQGEPH-MRXNPFEDSA-N 1 2 336.395 3.546 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552590 1027169134 /nfs/dbraw/zinc/16/91/34/1027169134.db2.gz GYZFIKCHZZSNRE-CVEARBPZSA-N 1 2 341.455 3.708 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557309 1027171433 /nfs/dbraw/zinc/17/14/33/1027171433.db2.gz UIMDZMSURJSEOX-AWEZNQCLSA-N 1 2 349.887 3.703 20 0 EHADLO Nc1nc(NC[C@@H](c2ccccc2)C(F)(F)F)[nH+]c2ccccc12 ZINC000302519886 1027177498 /nfs/dbraw/zinc/17/74/98/1027177498.db2.gz YRTNZTAIMROWBB-ZDUSSCGKSA-N 1 2 332.329 3.970 20 0 EHADLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1ccc(F)cc1 ZINC000075645798 1027187142 /nfs/dbraw/zinc/18/71/42/1027187142.db2.gz MIKHTVVGIMAZHE-JTQLQIEISA-N 1 2 331.313 3.897 20 0 EHADLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1ccc(F)cc1 ZINC000075645798 1027187159 /nfs/dbraw/zinc/18/71/59/1027187159.db2.gz MIKHTVVGIMAZHE-JTQLQIEISA-N 1 2 331.313 3.897 20 0 EHADLO COc1cccc2c(N3CCC(n4cc(Cl)cn4)CC3)cc[nH+]c12 ZINC000302567407 1027198511 /nfs/dbraw/zinc/19/85/11/1027198511.db2.gz XELPVYFXQRKNHG-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO CCc1nnc([C@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863450 1027198776 /nfs/dbraw/zinc/19/87/76/1027198776.db2.gz YREHOQWBPPLXDB-KBPBESRZSA-N 1 2 348.878 3.725 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cs1 ZINC000075897331 1027207804 /nfs/dbraw/zinc/20/78/04/1027207804.db2.gz KQGQQEUCXZXIMG-YOEHRIQHSA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cs1 ZINC000075897331 1027207824 /nfs/dbraw/zinc/20/78/24/1027207824.db2.gz KQGQQEUCXZXIMG-YOEHRIQHSA-N 1 2 334.485 3.796 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000044568829 1027210514 /nfs/dbraw/zinc/21/05/14/1027210514.db2.gz ODSZXOHXAJGVLE-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCCS3)n2)C1 ZINC000272985045 1027211717 /nfs/dbraw/zinc/21/17/17/1027211717.db2.gz VPUDUVBGWXLKAO-TZMCWYRMSA-N 1 2 339.530 3.599 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCCS3)n2)C1 ZINC000272985045 1027211734 /nfs/dbraw/zinc/21/17/34/1027211734.db2.gz VPUDUVBGWXLKAO-TZMCWYRMSA-N 1 2 339.530 3.599 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N(C)CCc1ncc(C)s1 ZINC000302671502 1027231298 /nfs/dbraw/zinc/23/12/98/1027231298.db2.gz RRBVLBJCJKZWON-UHFFFAOYSA-N 1 2 327.453 3.996 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076093839 1027237621 /nfs/dbraw/zinc/23/76/21/1027237621.db2.gz FTEUOZVNPBCOFL-ZWKOTPCHSA-N 1 2 340.471 3.710 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](Cc3cccs3)C3CC3)n2)cc1 ZINC000044898150 1027243945 /nfs/dbraw/zinc/24/39/45/1027243945.db2.gz JDMUDZSCGYYQAL-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](Cc3cccs3)C3CC3)n2)cc1 ZINC000044898150 1027243963 /nfs/dbraw/zinc/24/39/63/1027243963.db2.gz JDMUDZSCGYYQAL-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000841694331 1027247704 /nfs/dbraw/zinc/24/77/04/1027247704.db2.gz XBCLEPGCQOONJC-GJZGRUSLSA-N 1 2 347.532 3.981 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000841694331 1027247724 /nfs/dbraw/zinc/24/77/24/1027247724.db2.gz XBCLEPGCQOONJC-GJZGRUSLSA-N 1 2 347.532 3.981 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416107 1027255934 /nfs/dbraw/zinc/25/59/34/1027255934.db2.gz GWFBFLDADNACSK-BONVTDFDSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416107 1027255947 /nfs/dbraw/zinc/25/59/47/1027255947.db2.gz GWFBFLDADNACSK-BONVTDFDSA-N 1 2 333.234 3.605 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2ccc(O)cc2)CC1 ZINC000302730235 1027260188 /nfs/dbraw/zinc/26/01/88/1027260188.db2.gz VNUVFGYQSSEBRM-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccc(C)o1)[C@H](C)c1ccc(F)cc1 ZINC000076546947 1027296292 /nfs/dbraw/zinc/29/62/92/1027296292.db2.gz VPBWJEVQSHIWDM-OAHLLOKOSA-N 1 2 332.419 3.769 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccc(C)o1)[C@H](C)c1ccc(F)cc1 ZINC000076546947 1027296306 /nfs/dbraw/zinc/29/63/06/1027296306.db2.gz VPBWJEVQSHIWDM-OAHLLOKOSA-N 1 2 332.419 3.769 20 0 EHADLO Cc1cc(N)nc(SCc2csc(-c3ccccc3F)n2)[nH+]1 ZINC000076762812 1027314851 /nfs/dbraw/zinc/31/48/51/1027314851.db2.gz PLYIZKWEIGZGCA-UHFFFAOYSA-N 1 2 332.429 3.922 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302850677 1027325733 /nfs/dbraw/zinc/32/57/33/1027325733.db2.gz PTCCYBOUGNIMMD-DLBZAZTESA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302850677 1027325751 /nfs/dbraw/zinc/32/57/51/1027325751.db2.gz PTCCYBOUGNIMMD-DLBZAZTESA-N 1 2 340.471 3.618 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3F)n2)C1 ZINC000045677934 1027327615 /nfs/dbraw/zinc/32/76/15/1027327615.db2.gz GCYPCKBBBQRPIT-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3F)n2)C1 ZINC000045677934 1027327633 /nfs/dbraw/zinc/32/76/33/1027327633.db2.gz GCYPCKBBBQRPIT-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncnn21 ZINC000657568737 1027330284 /nfs/dbraw/zinc/33/02/84/1027330284.db2.gz LGOJADIHDKFSMV-PELKAZGASA-N 1 2 330.741 3.746 20 0 EHADLO CSc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045952797 1027370939 /nfs/dbraw/zinc/37/09/39/1027370939.db2.gz DWMLZZAQFGSCIC-UHFFFAOYSA-N 1 2 342.468 3.594 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(CCCOc2ccccc2)CC1 ZINC000501620046 1027405872 /nfs/dbraw/zinc/40/58/72/1027405872.db2.gz NGSSVXYZOMNINU-XFFZJAGNSA-N 1 2 336.479 3.787 20 0 EHADLO CC(C)(C)c1nc(=N[C@@H](C[NH3+])c2ccc3ccccc3c2)s[nH]1 ZINC000420244723 1027415210 /nfs/dbraw/zinc/41/52/10/1027415210.db2.gz LAWQVDUJUGVHJU-HNNXBMFYSA-N 1 2 326.469 3.523 20 0 EHADLO COc1cc(C)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(C)n1 ZINC000430040880 1027437976 /nfs/dbraw/zinc/43/79/76/1027437976.db2.gz SLYSKTGXLQVXCQ-UHFFFAOYSA-N 1 2 328.309 3.553 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)CC2 ZINC000453140810 1027449143 /nfs/dbraw/zinc/44/91/43/1027449143.db2.gz ZLMDOGCBXGPPET-PMACEKPBSA-N 1 2 333.435 3.876 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C=CCCC3)n2)C1 ZINC000531810220 1027452052 /nfs/dbraw/zinc/45/20/52/1027452052.db2.gz STPZVWRMMHMPLH-KBPBESRZSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C=CCCC3)n2)C1 ZINC000531810220 1027452074 /nfs/dbraw/zinc/45/20/74/1027452074.db2.gz STPZVWRMMHMPLH-KBPBESRZSA-N 1 2 334.489 3.605 20 0 EHADLO O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000128761236 1027476152 /nfs/dbraw/zinc/47/61/52/1027476152.db2.gz XBQKLNGZHMZCMD-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(C)c[nH+]1 ZINC000536574653 1027491997 /nfs/dbraw/zinc/49/19/97/1027491997.db2.gz PTXWLTXSTHPUSP-UHFFFAOYSA-N 1 2 327.771 3.681 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000128981933 1027507638 /nfs/dbraw/zinc/50/76/38/1027507638.db2.gz LEVFYUFASGBLFU-UONOGXRCSA-N 1 2 334.510 3.819 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(Br)c2C)s1 ZINC000273627356 1027525580 /nfs/dbraw/zinc/52/55/80/1027525580.db2.gz RSNOOEQMPPXEMP-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(CCOCC2CCCC2)CC1 ZINC000459313579 1027540393 /nfs/dbraw/zinc/54/03/93/1027540393.db2.gz POBKEIZZLUEFQB-WDZFZDKYSA-N 1 2 328.500 3.524 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000129624092 1027585065 /nfs/dbraw/zinc/58/50/65/1027585065.db2.gz YFAIBEPKGHKFAY-OAHLLOKOSA-N 1 2 344.480 3.666 20 0 EHADLO O=C(COc1cc[nH+]cc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000431484978 1027585810 /nfs/dbraw/zinc/58/58/10/1027585810.db2.gz GBPKARRUCXWYSV-NRFANRHFSA-N 1 2 344.414 3.635 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1cccc(OC)c1 ZINC000657610961 1027621741 /nfs/dbraw/zinc/62/17/41/1027621741.db2.gz GZMGECMXSCZCQD-INIZCTEOSA-N 1 2 334.485 3.927 20 0 EHADLO CC[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000666684931 1027628112 /nfs/dbraw/zinc/62/81/12/1027628112.db2.gz XCLSZVJTXURINM-GBESFXJTSA-N 1 2 338.455 3.600 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342848436 1027637304 /nfs/dbraw/zinc/63/73/04/1027637304.db2.gz LILALMJSLOCCCO-XLIONFOSSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342848436 1027637309 /nfs/dbraw/zinc/63/73/09/1027637309.db2.gz LILALMJSLOCCCO-XLIONFOSSA-N 1 2 338.455 3.717 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1nc2c(s1)CCC2 ZINC000414462430 1027640607 /nfs/dbraw/zinc/64/06/07/1027640607.db2.gz MERCTSDIBBEMII-SECBINFHSA-N 1 2 338.379 3.804 20 0 EHADLO Clc1c2c(nc3cccc(N4CCn5c[nH+]cc5C4)c13)CCCC2 ZINC000420620600 1027663275 /nfs/dbraw/zinc/66/32/75/1027663275.db2.gz AZDSBRLRZUJSBH-UHFFFAOYSA-N 1 2 338.842 3.984 20 0 EHADLO C[NH2+]Cc1noc([C@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)n1 ZINC000414645326 1027670383 /nfs/dbraw/zinc/67/03/83/1027670383.db2.gz QOWRHLROPZCVGG-ZDUSSCGKSA-N 1 2 327.350 3.603 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)s1 ZINC000130566514 1027678758 /nfs/dbraw/zinc/67/87/58/1027678758.db2.gz YOHIVRGCNUFLFY-NSHDSACASA-N 1 2 347.875 3.790 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)cc1C ZINC000274028882 1027692432 /nfs/dbraw/zinc/69/24/32/1027692432.db2.gz NLOHHJXJMVAZOS-LBPRGKRZSA-N 1 2 334.441 3.870 20 0 EHADLO Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000503276893 1027700915 /nfs/dbraw/zinc/70/09/15/1027700915.db2.gz SOGXLESHANPGGD-VXGBXAGGSA-N 1 2 340.345 3.649 20 0 EHADLO CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)ccc2o1 ZINC000130951464 1027719955 /nfs/dbraw/zinc/71/99/55/1027719955.db2.gz XYZMERDMIJRLDL-GFCCVEGCSA-N 1 2 338.411 3.523 20 0 EHADLO CC[C@H]1CCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455111417 1027720640 /nfs/dbraw/zinc/72/06/40/1027720640.db2.gz SCLNYCJQNQVKDV-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000130953115 1027721627 /nfs/dbraw/zinc/72/16/27/1027721627.db2.gz SQQDHRKVGIJDSD-SFHVURJKSA-N 1 2 344.434 3.643 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(-c3ccc(OC)cc3)no2)s1 ZINC000657635139 1027722960 /nfs/dbraw/zinc/72/29/60/1027722960.db2.gz XEVGTKYYGFFIKV-UHFFFAOYSA-N 1 2 329.425 3.659 20 0 EHADLO Nc1cc(CNc2ccc(C(F)(F)F)c(C(F)(F)F)n2)cc[nH+]1 ZINC001167617454 1027733374 /nfs/dbraw/zinc/73/33/74/1027733374.db2.gz QRMSQCDUPLTCBI-UHFFFAOYSA-N 1 2 336.239 3.709 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131090005 1027735510 /nfs/dbraw/zinc/73/55/10/1027735510.db2.gz FSFZVMHZGPXWNC-KRWDZBQOSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCc3c2cccc3Cl)cc(C)[nH+]1 ZINC000420823560 1027757889 /nfs/dbraw/zinc/75/78/89/1027757889.db2.gz PQVWBHWBYGSEPZ-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCCOc3cc(F)ccc32)cc(C)[nH+]1 ZINC000420828556 1027761179 /nfs/dbraw/zinc/76/11/79/1027761179.db2.gz UPPKRKJBVZCQNV-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868476 1027768452 /nfs/dbraw/zinc/76/84/52/1027768452.db2.gz MWZSWNMLSFBKNX-QGZVFWFLSA-N 1 2 334.822 3.740 20 0 EHADLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868476 1027768471 /nfs/dbraw/zinc/76/84/71/1027768471.db2.gz MWZSWNMLSFBKNX-QGZVFWFLSA-N 1 2 334.822 3.740 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000513786845 1027768233 /nfs/dbraw/zinc/76/82/33/1027768233.db2.gz OIKBSOWVDJNIGP-HNNXBMFYSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000513786845 1027768254 /nfs/dbraw/zinc/76/82/54/1027768254.db2.gz OIKBSOWVDJNIGP-HNNXBMFYSA-N 1 2 345.361 3.545 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001211899917 1027770089 /nfs/dbraw/zinc/77/00/89/1027770089.db2.gz RMTUXDUPGMLBHG-UHFFFAOYSA-N 1 2 346.164 3.751 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cc(C)[nH+]1 ZINC000420841703 1027783419 /nfs/dbraw/zinc/78/34/19/1027783419.db2.gz CRYGCPWMDOOVFE-CYBMUJFWSA-N 1 2 345.393 3.806 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc(C)[nH+]1 ZINC000420841671 1027783506 /nfs/dbraw/zinc/78/35/06/1027783506.db2.gz CNAKIAQDSIZQMG-OCCSQVGLSA-N 1 2 329.366 3.571 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000347337135 1027799794 /nfs/dbraw/zinc/79/97/94/1027799794.db2.gz WCOKTQQBZCGFPM-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000131841650 1027829976 /nfs/dbraw/zinc/82/99/76/1027829976.db2.gz FIGHFHYBNPDNRJ-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO CCC[C@@H](C)C(=O)NCCNc1[nH+]cccc1OCc1ccccc1 ZINC000431490005 1027830643 /nfs/dbraw/zinc/83/06/43/1027830643.db2.gz JHUHXBGVOCMCKK-MRXNPFEDSA-N 1 2 341.455 3.625 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)s1 ZINC000414476769 1027831092 /nfs/dbraw/zinc/83/10/92/1027831092.db2.gz YLXUCLWYFIYJDL-QGZVFWFLSA-N 1 2 332.444 3.950 20 0 EHADLO Fc1ccccc1-c1ncc(C[N@H+]2CCO[C@@H](C3CCC3)C2)s1 ZINC000414476769 1027831116 /nfs/dbraw/zinc/83/11/16/1027831116.db2.gz YLXUCLWYFIYJDL-QGZVFWFLSA-N 1 2 332.444 3.950 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342878997 1027849830 /nfs/dbraw/zinc/84/98/30/1027849830.db2.gz AHXAYPLUWMWBHG-YWZLYKJASA-N 1 2 331.419 3.926 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc(C)[nH+]1 ZINC000420919334 1027864114 /nfs/dbraw/zinc/86/41/14/1027864114.db2.gz ROQYBMFCRAJXLQ-INIZCTEOSA-N 1 2 345.830 3.675 20 0 EHADLO CC(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)(c1ccccc1)c1ccccc1 ZINC000132119302 1027878233 /nfs/dbraw/zinc/87/82/33/1027878233.db2.gz WJUMLXNVIAONIG-QGZVFWFLSA-N 1 2 345.446 3.525 20 0 EHADLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cn1 ZINC000533441470 1027901350 /nfs/dbraw/zinc/90/13/50/1027901350.db2.gz FCWNBCIIBAMVPH-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cn1 ZINC000533441470 1027901375 /nfs/dbraw/zinc/90/13/75/1027901375.db2.gz FCWNBCIIBAMVPH-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000132270874 1027904844 /nfs/dbraw/zinc/90/48/44/1027904844.db2.gz RLRMEXHEFRLBKK-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1c[nH+]ccc1N ZINC000422744955 1027910626 /nfs/dbraw/zinc/91/06/26/1027910626.db2.gz WVTPSVTXHHEODF-UWJYYQICSA-N 1 2 338.499 3.618 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC000533463279 1027915882 /nfs/dbraw/zinc/91/58/82/1027915882.db2.gz UOWHPMLIFPLAFY-UHFFFAOYSA-N 1 2 348.535 3.905 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000420954791 1027921025 /nfs/dbraw/zinc/92/10/25/1027921025.db2.gz VGABECSJTHBNGY-NSHDSACASA-N 1 2 334.769 3.943 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000420954791 1027921045 /nfs/dbraw/zinc/92/10/45/1027921045.db2.gz VGABECSJTHBNGY-NSHDSACASA-N 1 2 334.769 3.943 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)c(Br)c1 ZINC000472267884 1027931056 /nfs/dbraw/zinc/93/10/56/1027931056.db2.gz KBPCRSZGBXSLRL-GFCCVEGCSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c(Br)c1 ZINC000472267884 1027931071 /nfs/dbraw/zinc/93/10/71/1027931071.db2.gz KBPCRSZGBXSLRL-GFCCVEGCSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c(C)c[nH+]1 ZINC000536619504 1027935660 /nfs/dbraw/zinc/93/56/60/1027935660.db2.gz LQWAIDIVHBZJKS-OAHLLOKOSA-N 1 2 327.428 3.790 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@@H](C)C3)c2C1 ZINC000444471217 1027939913 /nfs/dbraw/zinc/93/99/13/1027939913.db2.gz XSOPCPPQLSQPKS-HUUCEWRRSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@@H](C)C3)c2C1 ZINC000444471217 1027939920 /nfs/dbraw/zinc/93/99/20/1027939920.db2.gz XSOPCPPQLSQPKS-HUUCEWRRSA-N 1 2 337.467 3.531 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000564007758 1027965233 /nfs/dbraw/zinc/96/52/33/1027965233.db2.gz OCNBNZCBZSEVHD-SNVBAGLBSA-N 1 2 334.204 3.935 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000564007758 1027965251 /nfs/dbraw/zinc/96/52/51/1027965251.db2.gz OCNBNZCBZSEVHD-SNVBAGLBSA-N 1 2 334.204 3.935 20 0 EHADLO O[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C2(CCC2)C1 ZINC000420991831 1027969913 /nfs/dbraw/zinc/96/99/13/1027969913.db2.gz JONPDKRSRSAJIB-INIZCTEOSA-N 1 2 344.480 3.602 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C2(CCC2)C1 ZINC000420991831 1027969932 /nfs/dbraw/zinc/96/99/32/1027969932.db2.gz JONPDKRSRSAJIB-INIZCTEOSA-N 1 2 344.480 3.602 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cnc(C(C)C)s3)CC2)c1 ZINC000133044655 1027992341 /nfs/dbraw/zinc/99/23/41/1027992341.db2.gz PWQPQQDFJNCELW-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO C[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000120334857 1027997027 /nfs/dbraw/zinc/99/70/27/1027997027.db2.gz QHMCMVHUFTWJMI-CYBMUJFWSA-N 1 2 333.382 3.519 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444510749 1028016636 /nfs/dbraw/zinc/01/66/36/1028016636.db2.gz PVMMVYKTGJJXIG-FXAWDEMLSA-N 1 2 343.430 3.624 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444512534 1028016839 /nfs/dbraw/zinc/01/68/39/1028016839.db2.gz UYQSFTVYMCNSBE-IEBWSBKVSA-N 1 2 343.430 3.624 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC23CCC3)cc(Br)c1O ZINC000459370186 1028029808 /nfs/dbraw/zinc/02/98/08/1028029808.db2.gz IAQCCRKXIBMVPQ-UHFFFAOYSA-N 1 2 326.234 3.682 20 0 EHADLO CCOc1cc(C[N@H+]2CCC23CCC3)cc(Br)c1O ZINC000459370186 1028029827 /nfs/dbraw/zinc/02/98/27/1028029827.db2.gz IAQCCRKXIBMVPQ-UHFFFAOYSA-N 1 2 326.234 3.682 20 0 EHADLO CSCCc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421052761 1028039309 /nfs/dbraw/zinc/03/93/09/1028039309.db2.gz NUUMNLXMCZKTPU-UHFFFAOYSA-N 1 2 329.469 3.926 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120476340 1028042598 /nfs/dbraw/zinc/04/25/98/1028042598.db2.gz BUPXPGUOFUZSIA-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120476340 1028042614 /nfs/dbraw/zinc/04/26/14/1028042614.db2.gz BUPXPGUOFUZSIA-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)no2)c(F)c1 ZINC000444622771 1028093550 /nfs/dbraw/zinc/09/35/50/1028093550.db2.gz WHDBSEIHEHWDOP-OAHLLOKOSA-N 1 2 341.361 3.832 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@@H]3Cc3ccccc3)no2)c(F)c1 ZINC000444622771 1028093567 /nfs/dbraw/zinc/09/35/67/1028093567.db2.gz WHDBSEIHEHWDOP-OAHLLOKOSA-N 1 2 341.361 3.832 20 0 EHADLO Cc1cc(C)c(C[N@@H+]2CCOC[C@H]2CC(=O)c2ccco2)c(C)c1 ZINC000444660160 1028122116 /nfs/dbraw/zinc/12/21/16/1028122116.db2.gz RQULVVBOQKBLIW-QGZVFWFLSA-N 1 2 327.424 3.679 20 0 EHADLO Cc1cc(C)c(C[N@H+]2CCOC[C@H]2CC(=O)c2ccco2)c(C)c1 ZINC000444660160 1028122128 /nfs/dbraw/zinc/12/21/28/1028122128.db2.gz RQULVVBOQKBLIW-QGZVFWFLSA-N 1 2 327.424 3.679 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640573 1028126064 /nfs/dbraw/zinc/12/60/64/1028126064.db2.gz NWJDLBDPDSBQPS-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640573 1028126077 /nfs/dbraw/zinc/12/60/77/1028126077.db2.gz NWJDLBDPDSBQPS-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1cc(F)cc(F)c1 ZINC000444701588 1028175806 /nfs/dbraw/zinc/17/58/06/1028175806.db2.gz HLZFRYVXJDUSGI-MAUKXSAKSA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1cc(F)cc(F)c1 ZINC000444701588 1028175812 /nfs/dbraw/zinc/17/58/12/1028175812.db2.gz HLZFRYVXJDUSGI-MAUKXSAKSA-N 1 2 336.426 3.578 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccccc2)CCOCC1 ZINC000078776624 1028183149 /nfs/dbraw/zinc/18/31/49/1028183149.db2.gz KPTPBFHHCZMCHE-UHFFFAOYSA-N 1 2 347.418 3.559 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)o1 ZINC000444711469 1028192373 /nfs/dbraw/zinc/19/23/73/1028192373.db2.gz XECSQAWHTUKGKA-LLVKDONJSA-N 1 2 338.249 3.896 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)o1 ZINC000444711469 1028192394 /nfs/dbraw/zinc/19/23/94/1028192394.db2.gz XECSQAWHTUKGKA-LLVKDONJSA-N 1 2 338.249 3.896 20 0 EHADLO CCOc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000455468007 1028200781 /nfs/dbraw/zinc/20/07/81/1028200781.db2.gz GSOSRUADVDIMOR-UHFFFAOYSA-N 1 2 343.427 3.736 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNc2ccccc2C[NH+]2CCOCC2)o1 ZINC000120948234 1028209189 /nfs/dbraw/zinc/20/91/89/1028209189.db2.gz HRSYMFOWXNQBAO-CRAIPNDOSA-N 1 2 326.440 3.847 20 0 EHADLO COc1ccc(SCCCC(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000444745183 1028230317 /nfs/dbraw/zinc/23/03/17/1028230317.db2.gz QEHBXTLSWUTNEV-UHFFFAOYSA-N 1 2 341.436 3.854 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000444746113 1028231752 /nfs/dbraw/zinc/23/17/52/1028231752.db2.gz UGKKMULECLOCPD-AWEZNQCLSA-N 1 2 346.471 3.601 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000444746113 1028231769 /nfs/dbraw/zinc/23/17/69/1028231769.db2.gz UGKKMULECLOCPD-AWEZNQCLSA-N 1 2 346.471 3.601 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)COCc2ccccc2)c(C)[nH+]1 ZINC000455490715 1028261413 /nfs/dbraw/zinc/26/14/13/1028261413.db2.gz XFVKEUQNRCJSGS-AWEZNQCLSA-N 1 2 341.455 3.981 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523388042 1028262935 /nfs/dbraw/zinc/26/29/35/1028262935.db2.gz TXMNXZWNFSRWPF-LJQANCHMSA-N 1 2 349.438 3.560 20 0 EHADLO CC(C)Oc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414510593 1028270746 /nfs/dbraw/zinc/27/07/46/1028270746.db2.gz VLMFDZMOZBOBMA-UHFFFAOYSA-N 1 2 325.334 3.572 20 0 EHADLO COCCOc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1OC ZINC000423216227 1028281668 /nfs/dbraw/zinc/28/16/68/1028281668.db2.gz ODMLPKZQDXQQIA-CQSZACIVSA-N 1 2 342.439 3.862 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](CO)c2ccccc2Cl)c(C)[nH+]1 ZINC000455523360 1028297278 /nfs/dbraw/zinc/29/72/78/1028297278.db2.gz ODKCFIRUWMKOLF-AWEZNQCLSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccccc3O[C@@H](C)C2)c(C)[nH+]1 ZINC000455528660 1028301107 /nfs/dbraw/zinc/30/11/07/1028301107.db2.gz QZASNNRHTHEURP-AWEZNQCLSA-N 1 2 325.412 3.822 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455536835 1028314443 /nfs/dbraw/zinc/31/44/43/1028314443.db2.gz BVRUOQMQAMLCDF-HNNXBMFYSA-N 1 2 327.428 3.610 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000354074051 1028315211 /nfs/dbraw/zinc/31/52/11/1028315211.db2.gz YRPBIAKFHCLRHU-HNNXBMFYSA-N 1 2 349.434 3.895 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000729674871 1028350959 /nfs/dbraw/zinc/35/09/59/1028350959.db2.gz QROYFNKAWCWJEP-UHFFFAOYSA-N 1 2 340.814 3.767 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000067133008 1028357952 /nfs/dbraw/zinc/35/79/52/1028357952.db2.gz ROECVKXCRLYBNQ-OXQOHEQNSA-N 1 2 334.419 3.664 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)c1 ZINC000429589254 1028377908 /nfs/dbraw/zinc/37/79/08/1028377908.db2.gz IKHAXTCYTJBRFG-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)c1 ZINC000429589254 1028377924 /nfs/dbraw/zinc/37/79/24/1028377924.db2.gz IKHAXTCYTJBRFG-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2csc(Br)c2)nn1 ZINC000421397970 1028380618 /nfs/dbraw/zinc/38/06/18/1028380618.db2.gz FMFGSGPESLSARD-UHFFFAOYSA-N 1 2 343.294 3.708 20 0 EHADLO C[C@H]1CC[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000582967250 1028404017 /nfs/dbraw/zinc/40/40/17/1028404017.db2.gz CZKJIIZAJHCJJA-WKILWMFISA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c[nH+]1 ZINC000897332682 1028409341 /nfs/dbraw/zinc/40/93/41/1028409341.db2.gz MXVIPPBUSCNYFG-SFHVURJKSA-N 1 2 341.430 3.818 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc3c(c2)CC(=O)N3C)nc(C2CCC2)[nH+]1 ZINC000892319191 1028448833 /nfs/dbraw/zinc/44/88/33/1028448833.db2.gz XNIDWUDLTSNGRS-CYBMUJFWSA-N 1 2 336.439 3.745 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000897334512 1028475138 /nfs/dbraw/zinc/47/51/38/1028475138.db2.gz VOBQEANJQGQMRN-UHFFFAOYSA-N 1 2 327.325 3.619 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(c3ccc(F)cc3)CCC2)c[nH+]1 ZINC000455566494 1028502297 /nfs/dbraw/zinc/50/22/97/1028502297.db2.gz YBWIQHLUKNHILT-UHFFFAOYSA-N 1 2 341.430 3.759 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000430075042 1028530498 /nfs/dbraw/zinc/53/04/98/1028530498.db2.gz ALFFKFKDBVHILT-OAHLLOKOSA-N 1 2 334.423 3.740 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000430075042 1028530517 /nfs/dbraw/zinc/53/05/17/1028530517.db2.gz ALFFKFKDBVHILT-OAHLLOKOSA-N 1 2 334.423 3.740 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1scnc1C1CC1)c1cccc(Cl)c1 ZINC000342991363 1028555933 /nfs/dbraw/zinc/55/59/33/1028555933.db2.gz RGTWUHGBJJSCCF-AWEZNQCLSA-N 1 2 335.860 3.915 20 0 EHADLO C[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1c1ccccc1 ZINC000355002738 1028564818 /nfs/dbraw/zinc/56/48/18/1028564818.db2.gz RHIGBTCOLHDWDD-IFMALSPDSA-N 1 2 345.446 3.855 20 0 EHADLO Cc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)c(Br)c1 ZINC000421573379 1028568465 /nfs/dbraw/zinc/56/84/65/1028568465.db2.gz ALBGHAWETPMOFT-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1cc(OC(F)F)c(C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000421575084 1028570125 /nfs/dbraw/zinc/57/01/25/1028570125.db2.gz IQSPRPUKTUVMRP-UHFFFAOYSA-N 1 2 326.368 3.600 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1ccc(Cl)cc1 ZINC000195049319 1028571285 /nfs/dbraw/zinc/57/12/85/1028571285.db2.gz HGJQAJZZKHMSLR-SUMWQHHRSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cc(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000421577147 1028571805 /nfs/dbraw/zinc/57/18/05/1028571805.db2.gz NVMQAWXABZWWNE-UHFFFAOYSA-N 1 2 332.831 3.826 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc(C)[nH+]1 ZINC000421581316 1028577007 /nfs/dbraw/zinc/57/70/07/1028577007.db2.gz YCIHPWIMUORBLI-UHFFFAOYSA-N 1 2 328.460 3.703 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(C(=O)OC)s1)c1ccc(Cl)s1 ZINC000894261177 1028610615 /nfs/dbraw/zinc/61/06/15/1028610615.db2.gz UFQAZMRVGYBUBC-MRVPVSSYSA-N 1 2 330.862 3.886 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c(F)c1 ZINC000195343016 1028633036 /nfs/dbraw/zinc/63/30/36/1028633036.db2.gz UFPYDGYCSULIGS-KGLIPLIRSA-N 1 2 347.459 3.797 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c(F)c1 ZINC000195343016 1028633042 /nfs/dbraw/zinc/63/30/42/1028633042.db2.gz UFPYDGYCSULIGS-KGLIPLIRSA-N 1 2 347.459 3.797 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2[nH+]1 ZINC000074819779 1028633979 /nfs/dbraw/zinc/63/39/79/1028633979.db2.gz QBCIKJHQHLIQMB-UHFFFAOYSA-N 1 2 335.816 3.634 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1nccn1C ZINC000237233045 1028644956 /nfs/dbraw/zinc/64/49/56/1028644956.db2.gz BOKJXZYBIZFLIQ-HXUWFJFHSA-N 1 2 346.434 3.789 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246577263 1028662898 /nfs/dbraw/zinc/66/28/98/1028662898.db2.gz XXPCKNXZCDEKJC-JTWUUNPKSA-N 1 2 330.472 3.671 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(NC3CC3)[nH+]cn2)cc1F ZINC000664368347 1028679285 /nfs/dbraw/zinc/67/92/85/1028679285.db2.gz RWQNNZHEVHJYMH-OAHLLOKOSA-N 1 2 328.391 3.540 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(NC3CC3)nc[nH+]2)cc1F ZINC000664368347 1028679301 /nfs/dbraw/zinc/67/93/01/1028679301.db2.gz RWQNNZHEVHJYMH-OAHLLOKOSA-N 1 2 328.391 3.540 20 0 EHADLO C[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153760966 1028697084 /nfs/dbraw/zinc/69/70/84/1028697084.db2.gz ZGTMINDRUUHGIF-KRWDZBQOSA-N 1 2 333.435 3.545 20 0 EHADLO C[C@H](CNC(=O)CSc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000153762346 1028701113 /nfs/dbraw/zinc/70/11/13/1028701113.db2.gz GIUOFQQZNPEXDI-OAHLLOKOSA-N 1 2 339.464 3.581 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 ZINC000246955633 1028718923 /nfs/dbraw/zinc/71/89/23/1028718923.db2.gz RGPZNDWCNNFLAW-YDHLFZDLSA-N 1 2 337.533 3.796 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 ZINC000246955633 1028718940 /nfs/dbraw/zinc/71/89/40/1028718940.db2.gz RGPZNDWCNNFLAW-YDHLFZDLSA-N 1 2 337.533 3.796 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c[nH+]1 ZINC000455577645 1028723385 /nfs/dbraw/zinc/72/33/85/1028723385.db2.gz URHJKRWVINIYNN-HXUWFJFHSA-N 1 2 341.430 3.711 20 0 EHADLO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2ccn[nH]2)cc1 ZINC000523936761 1028723567 /nfs/dbraw/zinc/72/35/67/1028723567.db2.gz INFGJMMJMVWFFU-MOPGFXCFSA-N 1 2 329.444 3.678 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000524014711 1028766961 /nfs/dbraw/zinc/76/69/61/1028766961.db2.gz UKHNDVDEDTZAFH-LJQANCHMSA-N 1 2 333.435 3.857 20 0 EHADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000454339223 1028766902 /nfs/dbraw/zinc/76/69/02/1028766902.db2.gz ORTWJQTYBWJWIX-IKGGRYGDSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@H](C)[C@@H](C)C2)c(C)c1 ZINC000532752700 1028772891 /nfs/dbraw/zinc/77/28/91/1028772891.db2.gz PNRMJXNEWDFMFO-LNLFQRSKSA-N 1 2 340.471 3.539 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)[nH+]c12 ZINC000524012223 1028777621 /nfs/dbraw/zinc/77/76/21/1028777621.db2.gz MCBNBAMTQMATQX-IRXDYDNUSA-N 1 2 327.472 3.906 20 0 EHADLO CC(C)(CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000454326993 1028778721 /nfs/dbraw/zinc/77/87/21/1028778721.db2.gz RVDBZCNOBWJYOG-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@H](C)c1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000245543903 1028797846 /nfs/dbraw/zinc/79/78/46/1028797846.db2.gz RRDLPVLAXQTCIG-HZPDHXFCSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@H](C)c1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000245543903 1028797858 /nfs/dbraw/zinc/79/78/58/1028797858.db2.gz RRDLPVLAXQTCIG-HZPDHXFCSA-N 1 2 343.446 3.823 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000153837717 1028805881 /nfs/dbraw/zinc/80/58/81/1028805881.db2.gz HSPWSZQMVKQQNF-INIZCTEOSA-N 1 2 340.471 3.740 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000424139133 1028829544 /nfs/dbraw/zinc/82/95/44/1028829544.db2.gz DIATUWQJAYREAU-UHFFFAOYSA-N 1 2 336.443 3.671 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000421817525 1028835741 /nfs/dbraw/zinc/83/57/41/1028835741.db2.gz VGFJEFDQHBVSOQ-LBPRGKRZSA-N 1 2 334.851 3.517 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000414555212 1028854596 /nfs/dbraw/zinc/85/45/96/1028854596.db2.gz WKNYXGJSBKYTHH-UHFFFAOYSA-N 1 2 339.332 3.590 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000424182555 1028855163 /nfs/dbraw/zinc/85/51/63/1028855163.db2.gz ZRRCESXKDRDEEJ-SFHVURJKSA-N 1 2 343.862 3.730 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000611747638 1028861868 /nfs/dbraw/zinc/86/18/68/1028861868.db2.gz POMBYBDCTSDMPH-IAGOWNOFSA-N 1 2 327.428 3.587 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(OCc3ccccc3F)CC2)o1 ZINC000091862646 1028864859 /nfs/dbraw/zinc/86/48/59/1028864859.db2.gz YIDGAMHNJYVVQV-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](CC(F)F)c2ccccc2)s1 ZINC000421882354 1028886698 /nfs/dbraw/zinc/88/66/98/1028886698.db2.gz RYZKRJVONWOPFP-PWSUYJOCSA-N 1 2 340.395 3.977 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)s1 ZINC000424202600 1028887273 /nfs/dbraw/zinc/88/72/73/1028887273.db2.gz QAUZTCOIWVFGLB-VIFPVBQESA-N 1 2 347.465 3.699 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1F ZINC000445536991 1028913249 /nfs/dbraw/zinc/91/32/49/1028913249.db2.gz FSFKCWNXPOGGRY-QHCPKHFHSA-N 1 2 328.412 3.519 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c(Cl)c1 ZINC000424296914 1028939991 /nfs/dbraw/zinc/93/99/91/1028939991.db2.gz YRKGYABZKSMXDP-ZDUSSCGKSA-N 1 2 347.846 3.753 20 0 EHADLO COC(=O)CC1CC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000424278294 1028950182 /nfs/dbraw/zinc/95/01/82/1028950182.db2.gz IDQXAVRTYUMTLL-UHFFFAOYSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H](CC1CC1)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454502348 1028969786 /nfs/dbraw/zinc/96/97/86/1028969786.db2.gz SZNFZFAGSVICEO-GFCCVEGCSA-N 1 2 332.835 3.514 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)s1 ZINC000424323244 1028970282 /nfs/dbraw/zinc/97/02/82/1028970282.db2.gz IVEPERYBZVIIRJ-TVQRCGJNSA-N 1 2 336.844 3.921 20 0 EHADLO CC(C)(C)n1cnnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445595866 1028975836 /nfs/dbraw/zinc/97/58/36/1028975836.db2.gz DEYIEJGAXHYFQJ-UHFFFAOYSA-N 1 2 327.457 3.570 20 0 EHADLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000114305629 1028990433 /nfs/dbraw/zinc/99/04/33/1028990433.db2.gz WAZLTCXIYIBOCF-UHFFFAOYSA-N 1 2 325.437 3.641 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)o1 ZINC000249330541 1028999912 /nfs/dbraw/zinc/99/99/12/1028999912.db2.gz PBILPTWSSPKNMP-ZBFHGGJFSA-N 1 2 332.469 3.834 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)o1 ZINC000249330541 1028999929 /nfs/dbraw/zinc/99/99/29/1028999929.db2.gz PBILPTWSSPKNMP-ZBFHGGJFSA-N 1 2 332.469 3.834 20 0 EHADLO CC(=O)Oc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001212068396 1029025290 /nfs/dbraw/zinc/02/52/90/1029025290.db2.gz CEKVERWZARATOA-UHFFFAOYSA-N 1 2 346.184 3.766 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000524256969 1029025511 /nfs/dbraw/zinc/02/55/11/1029025511.db2.gz FYVKLAXKNMTGJK-RVPHRTOXSA-N 1 2 348.490 3.956 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](C)c2ccc(F)cc2F)c[nH+]1 ZINC000454571081 1029048617 /nfs/dbraw/zinc/04/86/17/1029048617.db2.gz FTWZQDWOGQWMRG-LBPRGKRZSA-N 1 2 333.382 3.580 20 0 EHADLO Cc1oc2ccccc2c1C[NH2+]Cc1nn(C)cc1Br ZINC000393324825 1029062530 /nfs/dbraw/zinc/06/25/30/1029062530.db2.gz WINXDMUXDXONPB-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123973977 1029088940 /nfs/dbraw/zinc/08/89/40/1029088940.db2.gz JFUWZWFBQHHPOB-JFIYKMOQSA-N 1 2 343.496 3.615 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000532967801 1029113973 /nfs/dbraw/zinc/11/39/73/1029113973.db2.gz IEJDVBSBAFPQKC-LIRRHRJNSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000532967801 1029113977 /nfs/dbraw/zinc/11/39/77/1029113977.db2.gz IEJDVBSBAFPQKC-LIRRHRJNSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000532967797 1029114501 /nfs/dbraw/zinc/11/45/01/1029114501.db2.gz IEJDVBSBAFPQKC-IFXJQAMLSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000532967797 1029114504 /nfs/dbraw/zinc/11/45/04/1029114504.db2.gz IEJDVBSBAFPQKC-IFXJQAMLSA-N 1 2 343.398 3.538 20 0 EHADLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cc2ccccc2o1 ZINC000347380267 1029160918 /nfs/dbraw/zinc/16/09/18/1029160918.db2.gz QDPUWSKZEFYNQP-CYBMUJFWSA-N 1 2 332.363 3.505 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475634930 1029165559 /nfs/dbraw/zinc/16/55/59/1029165559.db2.gz LVGBBEMTDOMPKL-GOEBONIOSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475634930 1029165568 /nfs/dbraw/zinc/16/55/68/1029165568.db2.gz LVGBBEMTDOMPKL-GOEBONIOSA-N 1 2 330.255 3.763 20 0 EHADLO CCCc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)sc1C ZINC000252023383 1029172429 /nfs/dbraw/zinc/17/24/29/1029172429.db2.gz ZWXHPGHJCDIDSZ-UHFFFAOYSA-N 1 2 343.496 3.934 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1F ZINC000524439856 1029176231 /nfs/dbraw/zinc/17/62/31/1029176231.db2.gz MMFPWKIFYSVURL-UHFFFAOYSA-N 1 2 344.312 3.643 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000271812899 1029184779 /nfs/dbraw/zinc/18/47/79/1029184779.db2.gz RURGPEDSGMUEKE-MRXNPFEDSA-N 1 2 331.412 3.952 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000424644030 1029206408 /nfs/dbraw/zinc/20/64/08/1029206408.db2.gz MFXCJKBEXMZPII-QGPMSJSTSA-N 1 2 336.426 3.559 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424683863 1029234694 /nfs/dbraw/zinc/23/46/94/1029234694.db2.gz RARLLPVHMJVIOO-MAUKXSAKSA-N 1 2 330.472 3.592 20 0 EHADLO C[C@@H](Cn1cc(Br)cn1)Nc1ccc([NH+]2CCCC2)cc1 ZINC000271964585 1029249059 /nfs/dbraw/zinc/24/90/59/1029249059.db2.gz SDTWXILYVUGNGD-ZDUSSCGKSA-N 1 2 349.276 3.746 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2ccc(Br)o2)cc1Cl ZINC000533096218 1029296697 /nfs/dbraw/zinc/29/66/97/1029296697.db2.gz JIKVIXYUZWCZFE-UHFFFAOYSA-N 1 2 345.624 3.731 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000271985052 1029259006 /nfs/dbraw/zinc/25/90/06/1029259006.db2.gz XVWWFFQOWGEXFH-AWEZNQCLSA-N 1 2 347.484 3.606 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@@H]2C)c(C)c1 ZINC000533084531 1029262770 /nfs/dbraw/zinc/26/27/70/1029262770.db2.gz PLATTWXUWDUZGN-PKOBYXMFSA-N 1 2 340.471 3.825 20 0 EHADLO CN(Cc1ccco1)C(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533080851 1029286553 /nfs/dbraw/zinc/28/65/53/1029286553.db2.gz NRIJKXOQJNURTH-UHFFFAOYSA-N 1 2 342.414 3.557 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2ccc(Br)o2)cc1Cl ZINC000533096218 1029296681 /nfs/dbraw/zinc/29/66/81/1029296681.db2.gz JIKVIXYUZWCZFE-UHFFFAOYSA-N 1 2 345.624 3.731 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CN1CCN(C2CC2)c2ccccc21 ZINC000445992251 1029310650 /nfs/dbraw/zinc/31/06/50/1029310650.db2.gz OYFMCBMCNZRIFI-UHFFFAOYSA-N 1 2 344.462 3.920 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1cccs1 ZINC000533089751 1029317787 /nfs/dbraw/zinc/31/77/87/1029317787.db2.gz LOFKVZJNGRFUGI-CZUORRHYSA-N 1 2 340.558 3.779 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccnn3-c3ccccc3)[nH]c2c1 ZINC000343468789 1029354095 /nfs/dbraw/zinc/35/40/95/1029354095.db2.gz MLTCZYLUFLHDAR-HNNXBMFYSA-N 1 2 331.423 3.908 20 0 EHADLO O=C(Nc1cccc(NC2CCCC2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272263832 1029385665 /nfs/dbraw/zinc/38/56/65/1029385665.db2.gz QWKFPNVDYMKCLX-UHFFFAOYSA-N 1 2 347.422 3.874 20 0 EHADLO C[C@H]1CCCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000424852252 1029387202 /nfs/dbraw/zinc/38/72/02/1029387202.db2.gz KUXBBYBSKUDOAW-MAUKXSAKSA-N 1 2 329.488 3.752 20 0 EHADLO CC1(C)CCCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000446074450 1029390477 /nfs/dbraw/zinc/39/04/77/1029390477.db2.gz SDGBYCVROFHSOZ-UHFFFAOYSA-N 1 2 339.277 3.900 20 0 EHADLO CC1(C)CCCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000446074450 1029390493 /nfs/dbraw/zinc/39/04/93/1029390493.db2.gz SDGBYCVROFHSOZ-UHFFFAOYSA-N 1 2 339.277 3.900 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000054513918 1029392370 /nfs/dbraw/zinc/39/23/70/1029392370.db2.gz VVSXJIYGZXJMDI-UHFFFAOYSA-N 1 2 346.500 3.880 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000054513918 1029392383 /nfs/dbraw/zinc/39/23/83/1029392383.db2.gz VVSXJIYGZXJMDI-UHFFFAOYSA-N 1 2 346.500 3.880 20 0 EHADLO Cc1nc(C)c([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC000272309516 1029410009 /nfs/dbraw/zinc/41/00/09/1029410009.db2.gz WKPQRHWIZOYYFA-OBJOEFQTSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000016563900 1029416580 /nfs/dbraw/zinc/41/65/80/1029416580.db2.gz LCTUFQZKMZSUSK-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000016563900 1029416585 /nfs/dbraw/zinc/41/65/85/1029416585.db2.gz LCTUFQZKMZSUSK-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454878750 1029427360 /nfs/dbraw/zinc/42/73/60/1029427360.db2.gz XDFCZHPJDFIDTB-DZGCQCFKSA-N 1 2 343.858 3.851 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccco1 ZINC000272539310 1029503828 /nfs/dbraw/zinc/50/38/28/1029503828.db2.gz KXFUUHCJZAXZRY-CQSZACIVSA-N 1 2 333.819 3.687 20 0 EHADLO C[C@H](CNC(=O)CCc1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000155374252 1029519700 /nfs/dbraw/zinc/51/97/00/1029519700.db2.gz VQPDVYDRCAJUOH-GFCCVEGCSA-N 1 2 340.254 3.575 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)CCc2c(F)cccc2Cl)n1 ZINC000072762135 1029525705 /nfs/dbraw/zinc/52/57/05/1029525705.db2.gz BTJSXLFWCLOGSM-LLVKDONJSA-N 1 2 341.814 3.634 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCc2c(F)cccc2Cl)n1 ZINC000072762135 1029525714 /nfs/dbraw/zinc/52/57/14/1029525714.db2.gz BTJSXLFWCLOGSM-LLVKDONJSA-N 1 2 341.814 3.634 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)no2)cs1 ZINC000272633333 1029543508 /nfs/dbraw/zinc/54/35/08/1029543508.db2.gz WPHFCCBFFZOWCY-CQSZACIVSA-N 1 2 341.436 3.699 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)no2)cs1 ZINC000272633333 1029543520 /nfs/dbraw/zinc/54/35/20/1029543520.db2.gz WPHFCCBFFZOWCY-CQSZACIVSA-N 1 2 341.436 3.699 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cs1 ZINC000272637571 1029545692 /nfs/dbraw/zinc/54/56/92/1029545692.db2.gz XCVRSFOGCOJGSJ-GJZGRUSLSA-N 1 2 332.469 3.751 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cs1 ZINC000272637571 1029545698 /nfs/dbraw/zinc/54/56/98/1029545698.db2.gz XCVRSFOGCOJGSJ-GJZGRUSLSA-N 1 2 332.469 3.751 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000434304524 1029555926 /nfs/dbraw/zinc/55/59/26/1029555926.db2.gz GSWJHCRZAKHLER-NRFANRHFSA-N 1 2 348.450 3.516 20 0 EHADLO Cc1ccc(Br)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434313906 1029563510 /nfs/dbraw/zinc/56/35/10/1029563510.db2.gz JJOKERHDRBSVSA-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1ccc(Br)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434313906 1029563527 /nfs/dbraw/zinc/56/35/27/1029563527.db2.gz JJOKERHDRBSVSA-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)o1 ZINC000583289256 1029566550 /nfs/dbraw/zinc/56/65/50/1029566550.db2.gz RANFHSSMXHLJKK-MRXNPFEDSA-N 1 2 341.436 3.776 20 0 EHADLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000155552271 1029571004 /nfs/dbraw/zinc/57/10/04/1029571004.db2.gz LJFUUTYDJYBLPA-UHFFFAOYSA-N 1 2 347.434 3.511 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4ccccc4s3)n2)C1 ZINC000272701967 1029572951 /nfs/dbraw/zinc/57/29/51/1029572951.db2.gz WJSWPIKOBQHZMC-ZDUSSCGKSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4ccccc4s3)n2)C1 ZINC000272701967 1029572959 /nfs/dbraw/zinc/57/29/59/1029572959.db2.gz WJSWPIKOBQHZMC-ZDUSSCGKSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000272705371 1029573943 /nfs/dbraw/zinc/57/39/43/1029573943.db2.gz WYXFSIARYANQJY-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000272705371 1029573939 /nfs/dbraw/zinc/57/39/39/1029573939.db2.gz WYXFSIARYANQJY-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO Cc1ccc2oc(-c3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)cc2c1 ZINC000272720220 1029579515 /nfs/dbraw/zinc/57/95/15/1029579515.db2.gz ZFVCJIRPPQZUCC-INIZCTEOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1ccc2oc(-c3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)cc2c1 ZINC000272720220 1029579526 /nfs/dbraw/zinc/57/95/26/1029579526.db2.gz ZFVCJIRPPQZUCC-INIZCTEOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1cc(F)cc(F)c1 ZINC000583294301 1029586838 /nfs/dbraw/zinc/58/68/38/1029586838.db2.gz BDVVZNYORPOTSP-UHFFFAOYSA-N 1 2 343.333 3.681 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155676036 1029616344 /nfs/dbraw/zinc/61/63/44/1029616344.db2.gz CKNQVWSLBVYECV-INIZCTEOSA-N 1 2 338.455 3.996 20 0 EHADLO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000487521038 1029627172 /nfs/dbraw/zinc/62/71/72/1029627172.db2.gz UPYFELKBPZJGFP-OAHLLOKOSA-N 1 2 340.492 3.756 20 0 EHADLO CC1(C)CCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455105364 1029629060 /nfs/dbraw/zinc/62/90/60/1029629060.db2.gz IPTKRSULWAVTDC-UHFFFAOYSA-N 1 2 332.835 3.610 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]nc2-c2cccc(Cl)c2)[nH+]c1 ZINC000150913192 1029658004 /nfs/dbraw/zinc/65/80/04/1029658004.db2.gz NWUXCOTWICRPPM-UHFFFAOYSA-N 1 2 327.819 3.803 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000126140562 1029671226 /nfs/dbraw/zinc/67/12/26/1029671226.db2.gz XCJSLWLMUUIEHU-UHFFFAOYSA-N 1 2 346.406 3.508 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000079601667 1029677421 /nfs/dbraw/zinc/67/74/21/1029677421.db2.gz ZQYNGKNUWQBAQR-HNNXBMFYSA-N 1 2 349.400 3.979 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000583348714 1029678455 /nfs/dbraw/zinc/67/84/55/1029678455.db2.gz BTVGEPKIKRELMC-AZUAARDMSA-N 1 2 345.414 3.774 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000583348714 1029678462 /nfs/dbraw/zinc/67/84/62/1029678462.db2.gz BTVGEPKIKRELMC-AZUAARDMSA-N 1 2 345.414 3.774 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2c2cccc(Cl)c2Cl)n1 ZINC000545134459 1029721304 /nfs/dbraw/zinc/72/13/04/1029721304.db2.gz VUUFLEUYULPZTK-NWDGAFQWSA-N 1 2 349.221 3.972 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000162516510 1029738996 /nfs/dbraw/zinc/73/89/96/1029738996.db2.gz BKLXZGKYUWBQSN-UHFFFAOYSA-N 1 2 339.892 3.578 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1OC ZINC000647289215 1029757802 /nfs/dbraw/zinc/75/78/02/1029757802.db2.gz HMRPURWYQIBWKE-OLZOCXBDSA-N 1 2 347.434 3.788 20 0 EHADLO c1nnc([C@H]([NH2+]CCc2cccc3ccccc32)c2ccccc2)[nH]1 ZINC000583404356 1029781212 /nfs/dbraw/zinc/78/12/12/1029781212.db2.gz PGRFLGHDRDMGHD-HXUWFJFHSA-N 1 2 328.419 3.880 20 0 EHADLO COc1cc([C@@H](C)Nc2ccc([NH+](C)C)cc2)cc(OC)c1OC ZINC000193202880 1029807432 /nfs/dbraw/zinc/80/74/32/1029807432.db2.gz NBLHUESPQBIHHF-CYBMUJFWSA-N 1 2 330.428 3.952 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455650278 1029813169 /nfs/dbraw/zinc/81/31/69/1029813169.db2.gz DMBIJNHBDWLCNS-LPHOPBHVSA-N 1 2 325.456 3.610 20 0 EHADLO Cc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1C(=O)N(C)C ZINC000446890483 1029842732 /nfs/dbraw/zinc/84/27/32/1029842732.db2.gz LGKKGVIHHIYIRO-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808072 1029857981 /nfs/dbraw/zinc/85/79/81/1029857981.db2.gz DEDOHYPZSKAWOK-UHFFFAOYSA-N 1 2 340.492 3.585 20 0 EHADLO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815592 1029862413 /nfs/dbraw/zinc/86/24/13/1029862413.db2.gz QAVBWNOJXHPLPC-QZTJIDSGSA-N 1 2 347.528 3.544 20 0 EHADLO O=C(c1c(Cl)cc(Cl)cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000448812998 1029896617 /nfs/dbraw/zinc/89/66/17/1029896617.db2.gz XQDQVBHTUBTYOD-UHFFFAOYSA-N 1 2 333.646 3.567 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000447063995 1029901121 /nfs/dbraw/zinc/90/11/21/1029901121.db2.gz RYFWWPRGVOIQOL-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000127613327 1029935441 /nfs/dbraw/zinc/93/54/41/1029935441.db2.gz RAPUMSCIXZMSQO-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000428694181 1029937576 /nfs/dbraw/zinc/93/75/76/1029937576.db2.gz NNNZRLGUQLLRAR-CYBMUJFWSA-N 1 2 338.521 3.933 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000428694181 1029937596 /nfs/dbraw/zinc/93/75/96/1029937596.db2.gz NNNZRLGUQLLRAR-CYBMUJFWSA-N 1 2 338.521 3.933 20 0 EHADLO CC(C)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000120206811 1029945945 /nfs/dbraw/zinc/94/59/45/1029945945.db2.gz FWJUHHLNUIXNCH-KRWDZBQOSA-N 1 2 348.878 3.965 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(-c4ccoc4)c3)sc2C1 ZINC000089601115 1029953180 /nfs/dbraw/zinc/95/31/80/1029953180.db2.gz ORSFVYLHHGDAGQ-UHFFFAOYSA-N 1 2 339.420 3.643 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(-c4ccoc4)c3)sc2C1 ZINC000089601115 1029953198 /nfs/dbraw/zinc/95/31/98/1029953198.db2.gz ORSFVYLHHGDAGQ-UHFFFAOYSA-N 1 2 339.420 3.643 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000481792926 1029968730 /nfs/dbraw/zinc/96/87/30/1029968730.db2.gz YOYOOXXOSMBQPY-IRXDYDNUSA-N 1 2 344.503 3.518 20 0 EHADLO O=C(CCn1ccc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058383385 1029975482 /nfs/dbraw/zinc/97/54/82/1029975482.db2.gz ZVQWZKBITMVHID-UHFFFAOYSA-N 1 2 330.391 3.856 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)ccn12 ZINC000583509370 1029994657 /nfs/dbraw/zinc/99/46/57/1029994657.db2.gz LSFVKDDRICYGMP-QAPCUYQASA-N 1 2 337.398 3.848 20 0 EHADLO COCC1(c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000453280125 1030021063 /nfs/dbraw/zinc/02/10/63/1030021063.db2.gz BKXTYVCAEKDARR-KRWDZBQOSA-N 1 2 341.455 3.865 20 0 EHADLO COCC1(c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000453280125 1030021083 /nfs/dbraw/zinc/02/10/83/1030021083.db2.gz BKXTYVCAEKDARR-KRWDZBQOSA-N 1 2 341.455 3.865 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000453328731 1030060828 /nfs/dbraw/zinc/06/08/28/1030060828.db2.gz CDJBJUOGKYJEAH-PRHODGIISA-N 1 2 339.313 3.822 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000447280983 1030062924 /nfs/dbraw/zinc/06/29/24/1030062924.db2.gz YXPGDVYJPYQRKJ-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000447280983 1030062940 /nfs/dbraw/zinc/06/29/40/1030062940.db2.gz YXPGDVYJPYQRKJ-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)ccc1O ZINC000156881325 1030092748 /nfs/dbraw/zinc/09/27/48/1030092748.db2.gz ZQGXZYKFKCWZTB-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)ccc1O ZINC000156881325 1030092761 /nfs/dbraw/zinc/09/27/61/1030092761.db2.gz ZQGXZYKFKCWZTB-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO C[C@@](CO)([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000600645386 1030102463 /nfs/dbraw/zinc/10/24/63/1030102463.db2.gz LBSHYLXUMSKFHS-IBGZPJMESA-N 1 2 342.826 3.992 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C)CC1CCCCC1)C1CC1 ZINC000525782758 1030118389 /nfs/dbraw/zinc/11/83/89/1030118389.db2.gz IMKDRNKFEMAZHC-UHFFFAOYSA-N 1 2 344.499 3.698 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C)CC1CCCCC1)C1CC1 ZINC000525782758 1030118400 /nfs/dbraw/zinc/11/84/00/1030118400.db2.gz IMKDRNKFEMAZHC-UHFFFAOYSA-N 1 2 344.499 3.698 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cc(F)ccc2F)c1C ZINC000058958986 1030142835 /nfs/dbraw/zinc/14/28/35/1030142835.db2.gz RDWVRDHTQWZMKC-UHFFFAOYSA-N 1 2 348.393 3.576 20 0 EHADLO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000667982359 1030148281 /nfs/dbraw/zinc/14/82/81/1030148281.db2.gz CXRXDOFWQDVFIL-KKSFZXQISA-N 1 2 346.478 3.994 20 0 EHADLO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000667982356 1030148396 /nfs/dbraw/zinc/14/83/96/1030148396.db2.gz CXRXDOFWQDVFIL-HRAATJIYSA-N 1 2 346.478 3.994 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453358906 1030155051 /nfs/dbraw/zinc/15/50/51/1030155051.db2.gz QBQCMDKYIWISGT-NWDGAFQWSA-N 1 2 337.851 3.985 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1nc2c(s1)CCCC2 ZINC000090666245 1030156195 /nfs/dbraw/zinc/15/61/95/1030156195.db2.gz SNUIAVMAINSUMT-SECBINFHSA-N 1 2 344.406 3.625 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cncn2Cc2ccccc2)CCO1 ZINC000525835314 1030158776 /nfs/dbraw/zinc/15/87/76/1030158776.db2.gz CEQPKIHXNPELFB-JOCHJYFZSA-N 1 2 347.462 3.679 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cncn2Cc2ccccc2)CCO1 ZINC000525835314 1030158783 /nfs/dbraw/zinc/15/87/83/1030158783.db2.gz CEQPKIHXNPELFB-JOCHJYFZSA-N 1 2 347.462 3.679 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000525855726 1030189468 /nfs/dbraw/zinc/18/94/68/1030189468.db2.gz ZVFQSWNYKSCIRN-CYBMUJFWSA-N 1 2 346.397 3.550 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000121200463 1030205528 /nfs/dbraw/zinc/20/55/28/1030205528.db2.gz DTTCVKAJLDEIMR-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000121200463 1030205547 /nfs/dbraw/zinc/20/55/47/1030205547.db2.gz DTTCVKAJLDEIMR-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161408 1030231860 /nfs/dbraw/zinc/23/18/60/1030231860.db2.gz CTOYFZWKDJOUID-HOCLYGCPSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161408 1030231877 /nfs/dbraw/zinc/23/18/77/1030231877.db2.gz CTOYFZWKDJOUID-HOCLYGCPSA-N 1 2 336.794 3.637 20 0 EHADLO COCc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)o1 ZINC000657773904 1030268423 /nfs/dbraw/zinc/26/84/23/1030268423.db2.gz VUYVJNNPTISERR-CQSZACIVSA-N 1 2 330.211 3.556 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701961 1030289206 /nfs/dbraw/zinc/28/92/06/1030289206.db2.gz ICUHYNDGNSSUJL-JXFKEZNVSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701961 1030289222 /nfs/dbraw/zinc/28/92/22/1030289222.db2.gz ICUHYNDGNSSUJL-JXFKEZNVSA-N 1 2 325.456 3.588 20 0 EHADLO CC[N@@H+](Cc1sc(C)cc1Br)C[C@@H](O)C(F)(F)F ZINC000453588974 1030377825 /nfs/dbraw/zinc/37/78/25/1030377825.db2.gz DNIZNXCRNHWUSL-SNVBAGLBSA-N 1 2 346.212 3.564 20 0 EHADLO CC[N@H+](Cc1sc(C)cc1Br)C[C@@H](O)C(F)(F)F ZINC000453588974 1030377841 /nfs/dbraw/zinc/37/78/41/1030377841.db2.gz DNIZNXCRNHWUSL-SNVBAGLBSA-N 1 2 346.212 3.564 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000583639713 1030343382 /nfs/dbraw/zinc/34/33/82/1030343382.db2.gz PFUVRGCSAZUSCD-JQHQGBHXSA-N 1 2 331.847 3.755 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000583639713 1030343398 /nfs/dbraw/zinc/34/33/98/1030343398.db2.gz PFUVRGCSAZUSCD-JQHQGBHXSA-N 1 2 331.847 3.755 20 0 EHADLO Cc1cc(Br)c(C[N@@H+](C)[C@H](C)c2cnn(C)c2)s1 ZINC000453572082 1030362714 /nfs/dbraw/zinc/36/27/14/1030362714.db2.gz NLAAQSZHXXTDDR-SNVBAGLBSA-N 1 2 328.279 3.746 20 0 EHADLO Cc1cc(Br)c(C[N@H+](C)[C@H](C)c2cnn(C)c2)s1 ZINC000453572082 1030362725 /nfs/dbraw/zinc/36/27/25/1030362725.db2.gz NLAAQSZHXXTDDR-SNVBAGLBSA-N 1 2 328.279 3.746 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2F)CCN1 ZINC000092075954 1030373917 /nfs/dbraw/zinc/37/39/17/1030373917.db2.gz RGINOIHTJQEPOQ-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2F)CCN1 ZINC000092075954 1030373933 /nfs/dbraw/zinc/37/39/33/1030373933.db2.gz RGINOIHTJQEPOQ-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1Cl ZINC000343338905 1030375062 /nfs/dbraw/zinc/37/50/62/1030375062.db2.gz CJYAWFJQEFWWQN-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000092095890 1030384549 /nfs/dbraw/zinc/38/45/49/1030384549.db2.gz WYCYZAXFNOVOKQ-UHFFFAOYSA-N 1 2 335.382 3.518 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(-c2cccs2)n1 ZINC000092285692 1030421215 /nfs/dbraw/zinc/42/12/15/1030421215.db2.gz KREIPBJJKCCLLW-UHFFFAOYSA-N 1 2 349.419 3.791 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000447695296 1030430458 /nfs/dbraw/zinc/43/04/58/1030430458.db2.gz WGHROYJQWCPORN-JOCHJYFZSA-N 1 2 345.446 3.985 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@@H]1c1ccccc1 ZINC000567970513 1030433860 /nfs/dbraw/zinc/43/38/60/1030433860.db2.gz GMBJCDKWCNTHET-QAPCUYQASA-N 1 2 334.423 3.992 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[C@H]1C1CCC1 ZINC000583696817 1030481607 /nfs/dbraw/zinc/48/16/07/1030481607.db2.gz JPVGBZLMFWVSBL-DLBZAZTESA-N 1 2 333.435 3.977 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000668062057 1030491890 /nfs/dbraw/zinc/49/18/90/1030491890.db2.gz XPWSMYLVCAWKNV-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000668062057 1030491906 /nfs/dbraw/zinc/49/19/06/1030491906.db2.gz XPWSMYLVCAWKNV-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000343359936 1030494510 /nfs/dbraw/zinc/49/45/10/1030494510.db2.gz XZMSDOQWAXVCDJ-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831214 1030519355 /nfs/dbraw/zinc/51/93/55/1030519355.db2.gz KOKBWKGSLWFILT-CLCXKQKWSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831214 1030519368 /nfs/dbraw/zinc/51/93/68/1030519368.db2.gz KOKBWKGSLWFILT-CLCXKQKWSA-N 1 2 344.480 3.578 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2ncn(-c3ccccc3)n2)c1 ZINC000092794359 1030521306 /nfs/dbraw/zinc/52/13/06/1030521306.db2.gz QCCGHDPFDAIPTO-LJQANCHMSA-N 1 2 336.414 3.614 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@H+]2Cc2ncn(-c3ccccc3)n2)c1 ZINC000092794359 1030521314 /nfs/dbraw/zinc/52/13/14/1030521314.db2.gz QCCGHDPFDAIPTO-LJQANCHMSA-N 1 2 336.414 3.614 20 0 EHADLO Cc1ccc([C@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc2)cc1 ZINC000122292557 1030549801 /nfs/dbraw/zinc/54/98/01/1030549801.db2.gz AANNAEZMKUBPBX-GOSISDBHSA-N 1 2 329.407 3.873 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCc3c1cccc3F)C2 ZINC000526989858 1030550797 /nfs/dbraw/zinc/55/07/97/1030550797.db2.gz BUBQSUWRRZACHH-BLLLJJGKSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCc3c1cccc3F)CC2 ZINC000526989858 1030550812 /nfs/dbraw/zinc/55/08/12/1030550812.db2.gz BUBQSUWRRZACHH-BLLLJJGKSA-N 1 2 341.430 3.581 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000093226758 1030573775 /nfs/dbraw/zinc/57/37/75/1030573775.db2.gz BHWJKDXDSYRPRH-UPTPFMHGSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000093226758 1030573783 /nfs/dbraw/zinc/57/37/83/1030573783.db2.gz BHWJKDXDSYRPRH-UPTPFMHGSA-N 1 2 329.488 3.644 20 0 EHADLO COC1CCC(C[NH2+]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000892352998 1030594571 /nfs/dbraw/zinc/59/45/71/1030594571.db2.gz RRDIAPWAQOPWCR-ZRDSACAASA-N 1 2 332.488 3.917 20 0 EHADLO CC(C)c1ncc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)s1 ZINC000093413145 1030608300 /nfs/dbraw/zinc/60/83/00/1030608300.db2.gz AFBQVGSXFMWXIX-OAHLLOKOSA-N 1 2 330.501 3.540 20 0 EHADLO CC(C)c1ncc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)s1 ZINC000093413145 1030608309 /nfs/dbraw/zinc/60/83/09/1030608309.db2.gz AFBQVGSXFMWXIX-OAHLLOKOSA-N 1 2 330.501 3.540 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CCO2)c1 ZINC000093457562 1030616354 /nfs/dbraw/zinc/61/63/54/1030616354.db2.gz KYBXVTFIDGCPGJ-IBGZPJMESA-N 1 2 327.355 3.851 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CCO2)c1 ZINC000093457562 1030616362 /nfs/dbraw/zinc/61/63/62/1030616362.db2.gz KYBXVTFIDGCPGJ-IBGZPJMESA-N 1 2 327.355 3.851 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000448119957 1030624344 /nfs/dbraw/zinc/62/43/44/1030624344.db2.gz TVERRWBLGYDYTI-HZPDHXFCSA-N 1 2 347.503 3.605 20 0 EHADLO Cn1nccc1[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000448025966 1030656961 /nfs/dbraw/zinc/65/69/61/1030656961.db2.gz GMXCDQFGIVORNB-SJORKVTESA-N 1 2 339.487 3.944 20 0 EHADLO COCCN(Cc1ccc(C)o1)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000093707217 1030665261 /nfs/dbraw/zinc/66/52/61/1030665261.db2.gz RKEMPDVBOGNIAH-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC(C)C ZINC000093841245 1030679589 /nfs/dbraw/zinc/67/95/89/1030679589.db2.gz GZVPXLSTPIZXRN-LJQANCHMSA-N 1 2 331.412 3.649 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC(C)C ZINC000093841245 1030679599 /nfs/dbraw/zinc/67/95/99/1030679599.db2.gz GZVPXLSTPIZXRN-LJQANCHMSA-N 1 2 331.412 3.649 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1OC(C)C ZINC000093841244 1030680611 /nfs/dbraw/zinc/68/06/11/1030680611.db2.gz GZVPXLSTPIZXRN-IBGZPJMESA-N 1 2 331.412 3.649 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1OC(C)C ZINC000093841244 1030680618 /nfs/dbraw/zinc/68/06/18/1030680618.db2.gz GZVPXLSTPIZXRN-IBGZPJMESA-N 1 2 331.412 3.649 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000093842792 1030683053 /nfs/dbraw/zinc/68/30/53/1030683053.db2.gz MKOABIWKTRWXOK-SNAWJCMRSA-N 1 2 334.398 3.613 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000093842792 1030683061 /nfs/dbraw/zinc/68/30/61/1030683061.db2.gz MKOABIWKTRWXOK-SNAWJCMRSA-N 1 2 334.398 3.613 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000179396042 1030684806 /nfs/dbraw/zinc/68/48/06/1030684806.db2.gz BQDSPZICCKIZFT-CYBMUJFWSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)CCCO1 ZINC000170773435 1030700604 /nfs/dbraw/zinc/70/06/04/1030700604.db2.gz IVEICRXMNGKCBJ-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)CCCO1 ZINC000170773435 1030700622 /nfs/dbraw/zinc/70/06/22/1030700622.db2.gz IVEICRXMNGKCBJ-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000360053203 1030720299 /nfs/dbraw/zinc/72/02/99/1030720299.db2.gz CQFQMJLSXPFEJR-IFXJQAMLSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000360053203 1030720316 /nfs/dbraw/zinc/72/03/16/1030720316.db2.gz CQFQMJLSXPFEJR-IFXJQAMLSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc(OC)c([C@@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000360053201 1030721459 /nfs/dbraw/zinc/72/14/59/1030721459.db2.gz CQFQMJLSXPFEJR-AUUYWEPGSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc(OC)c([C@@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000360053201 1030721478 /nfs/dbraw/zinc/72/14/78/1030721478.db2.gz CQFQMJLSXPFEJR-AUUYWEPGSA-N 1 2 326.440 3.541 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235833 1030726712 /nfs/dbraw/zinc/72/67/12/1030726712.db2.gz CHCQKUCELGWGQB-LLVKDONJSA-N 1 2 347.846 3.939 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235833 1030726726 /nfs/dbraw/zinc/72/67/26/1030726726.db2.gz CHCQKUCELGWGQB-LLVKDONJSA-N 1 2 347.846 3.939 20 0 EHADLO Cc1nc(Cl)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130378429 1030731837 /nfs/dbraw/zinc/73/18/37/1030731837.db2.gz CTLADAGLFHYMGP-ZDUSSCGKSA-N 1 2 349.887 3.624 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc2[nH]ccc21 ZINC000171390480 1030757286 /nfs/dbraw/zinc/75/72/86/1030757286.db2.gz KMPCXUKPZOLGNM-UHFFFAOYSA-N 1 2 349.369 3.814 20 0 EHADLO c1ccc([C@@H]2CCC[N@@H+](Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000171091392 1030764615 /nfs/dbraw/zinc/76/46/15/1030764615.db2.gz UOEBSUKAMJCTLW-QGZVFWFLSA-N 1 2 341.455 3.733 20 0 EHADLO c1ccc([C@@H]2CCC[N@H+](Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000171091392 1030764629 /nfs/dbraw/zinc/76/46/29/1030764629.db2.gz UOEBSUKAMJCTLW-QGZVFWFLSA-N 1 2 341.455 3.733 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142164 1030765345 /nfs/dbraw/zinc/76/53/45/1030765345.db2.gz UJVBTAPATANZDQ-KXBFYZLASA-N 1 2 340.471 3.985 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142164 1030765355 /nfs/dbraw/zinc/76/53/55/1030765355.db2.gz UJVBTAPATANZDQ-KXBFYZLASA-N 1 2 340.471 3.985 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000476645574 1030767408 /nfs/dbraw/zinc/76/74/08/1030767408.db2.gz PFICUAKCLXCBST-PLQHRBFRSA-N 1 2 347.409 3.660 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000668150633 1030789037 /nfs/dbraw/zinc/78/90/37/1030789037.db2.gz BNRIXLNGEMIJDU-KDOFPFPSSA-N 1 2 345.443 3.519 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000668150633 1030789050 /nfs/dbraw/zinc/78/90/50/1030789050.db2.gz BNRIXLNGEMIJDU-KDOFPFPSSA-N 1 2 345.443 3.519 20 0 EHADLO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nc(-c2cccs2)no1 ZINC000527324447 1030795281 /nfs/dbraw/zinc/79/52/81/1030795281.db2.gz FKZPGUNXMKLJBN-NHYWBVRUSA-N 1 2 326.425 3.995 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000527324732 1030796587 /nfs/dbraw/zinc/79/65/87/1030796587.db2.gz LVNUNZCJPQDUSF-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000527324732 1030796604 /nfs/dbraw/zinc/79/66/04/1030796604.db2.gz LVNUNZCJPQDUSF-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO CC(C)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1=CCCCC1 ZINC000476706090 1030824937 /nfs/dbraw/zinc/82/49/37/1030824937.db2.gz XLUMYAOJQULCRU-UHFFFAOYSA-N 1 2 344.503 3.588 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(c3cccc(OC)c3)CC2)n1 ZINC000172320850 1030883544 /nfs/dbraw/zinc/88/35/44/1030883544.db2.gz PUOYMFIGRWLCMB-CQSZACIVSA-N 1 2 345.443 3.555 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506152 1030936403 /nfs/dbraw/zinc/93/64/03/1030936403.db2.gz ANBSOQGQDKKJHG-XIRDDKMYSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506152 1030936414 /nfs/dbraw/zinc/93/64/14/1030936414.db2.gz ANBSOQGQDKKJHG-XIRDDKMYSA-N 1 2 348.512 3.964 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000162143359 1030941555 /nfs/dbraw/zinc/94/15/55/1030941555.db2.gz QVARKVPNFWPWBJ-SFHVURJKSA-N 1 2 340.515 3.927 20 0 EHADLO CS[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000172402955 1030943512 /nfs/dbraw/zinc/94/35/12/1030943512.db2.gz UEDRWNROMFRIDK-SFHVURJKSA-N 1 2 337.448 3.593 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527642696 1031070863 /nfs/dbraw/zinc/07/08/63/1031070863.db2.gz IHEJSFPSBCADDH-UHFFFAOYSA-N 1 2 341.785 3.933 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000583899564 1031077350 /nfs/dbraw/zinc/07/73/50/1031077350.db2.gz WLKSOPQZKJKSQR-GOSISDBHSA-N 1 2 341.361 3.957 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cs1 ZINC000247495909 1031100237 /nfs/dbraw/zinc/10/02/37/1031100237.db2.gz MQIJKZSRDQHRBA-XPABHHOTSA-N 1 2 337.533 3.686 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000173551667 1031110875 /nfs/dbraw/zinc/11/08/75/1031110875.db2.gz PUQASWWKBIOWEP-ZDUSSCGKSA-N 1 2 339.361 3.730 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000173551667 1031110882 /nfs/dbraw/zinc/11/08/82/1031110882.db2.gz PUQASWWKBIOWEP-ZDUSSCGKSA-N 1 2 339.361 3.730 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483388036 1031143082 /nfs/dbraw/zinc/14/30/82/1031143082.db2.gz YNNVKMONQIDNOC-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483388036 1031143097 /nfs/dbraw/zinc/14/30/97/1031143097.db2.gz YNNVKMONQIDNOC-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3ccc4cc[nH]c4c3)c[nH+]2)C[C@@H](C)O1 ZINC000527683920 1031149440 /nfs/dbraw/zinc/14/94/40/1031149440.db2.gz WPWVNNYDRYBQCY-HUUCEWRRSA-N 1 2 336.439 3.789 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000477007245 1031160394 /nfs/dbraw/zinc/16/03/94/1031160394.db2.gz ZAEBMKQXRCIADN-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000477007245 1031160414 /nfs/dbraw/zinc/16/04/14/1031160414.db2.gz ZAEBMKQXRCIADN-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)CC)nc3)CCO2)cc1 ZINC000483444324 1031173516 /nfs/dbraw/zinc/17/35/16/1031173516.db2.gz YPXPNVQTVUBGTN-FQEVSTJZSA-N 1 2 339.483 3.674 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)CC)nc3)CCO2)cc1 ZINC000483444324 1031173533 /nfs/dbraw/zinc/17/35/33/1031173533.db2.gz YPXPNVQTVUBGTN-FQEVSTJZSA-N 1 2 339.483 3.674 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000343512695 1031203747 /nfs/dbraw/zinc/20/37/47/1031203747.db2.gz NBLVAYPULNDQGV-JXMROGBWSA-N 1 2 338.499 3.603 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000533926978 1031231658 /nfs/dbraw/zinc/23/16/58/1031231658.db2.gz VIVRIUKSKCXEPB-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000533926978 1031231671 /nfs/dbraw/zinc/23/16/71/1031231671.db2.gz VIVRIUKSKCXEPB-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000483660649 1031267511 /nfs/dbraw/zinc/26/75/11/1031267511.db2.gz MSMDTYWRBWKOQJ-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000483660649 1031267526 /nfs/dbraw/zinc/26/75/26/1031267526.db2.gz MSMDTYWRBWKOQJ-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000448592099 1031294077 /nfs/dbraw/zinc/29/40/77/1031294077.db2.gz LWABEKIASPPULG-NUJGCVRESA-N 1 2 330.472 3.530 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000551401403 1031299860 /nfs/dbraw/zinc/29/98/60/1031299860.db2.gz DEILTRSIBYNWMS-LBPRGKRZSA-N 1 2 344.377 3.687 20 0 EHADLO C[N@H+](CCSc1ccc(F)cc1F)Cc1nccn1C(F)F ZINC000659839450 1031331666 /nfs/dbraw/zinc/33/16/66/1031331666.db2.gz XIPQLHRZTOTGCX-UHFFFAOYSA-N 1 2 333.354 3.781 20 0 EHADLO C[N@@H+](CCSc1ccc(F)cc1F)Cc1nccn1C(F)F ZINC000659839450 1031331682 /nfs/dbraw/zinc/33/16/82/1031331682.db2.gz XIPQLHRZTOTGCX-UHFFFAOYSA-N 1 2 333.354 3.781 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000175725100 1031353630 /nfs/dbraw/zinc/35/36/30/1031353630.db2.gz LSYTZIXWNGKOOQ-GFCCVEGCSA-N 1 2 345.468 3.561 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000175725100 1031353638 /nfs/dbraw/zinc/35/36/38/1031353638.db2.gz LSYTZIXWNGKOOQ-GFCCVEGCSA-N 1 2 345.468 3.561 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000448680796 1031414458 /nfs/dbraw/zinc/41/44/58/1031414458.db2.gz LXKDCPHJQHKZFJ-JTDSTZFVSA-N 1 2 325.456 3.620 20 0 EHADLO C[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000176310317 1031424935 /nfs/dbraw/zinc/42/49/35/1031424935.db2.gz ZDVDRKAIGHRKQF-HNNXBMFYSA-N 1 2 337.423 3.940 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448660471 1031426578 /nfs/dbraw/zinc/42/65/78/1031426578.db2.gz IFWRQIQENWIHOD-OALUTQOASA-N 1 2 325.456 3.764 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569271 1031429483 /nfs/dbraw/zinc/42/94/83/1031429483.db2.gz BXOLIHJXBGBYHR-BXUZGUMPSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569271 1031429491 /nfs/dbraw/zinc/42/94/91/1031429491.db2.gz BXOLIHJXBGBYHR-BXUZGUMPSA-N 1 2 346.780 3.720 20 0 EHADLO C[C@@H](CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)Cn1cc[nH+]c1 ZINC000176383512 1031431853 /nfs/dbraw/zinc/43/18/53/1031431853.db2.gz BQDGRMLTRQIISV-WVJPWNCSSA-N 1 2 329.488 3.632 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000635408827 1031457454 /nfs/dbraw/zinc/45/74/54/1031457454.db2.gz PKQVLHOOYGVOPQ-CABCVRRESA-N 1 2 339.361 3.890 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000667002818 1031491657 /nfs/dbraw/zinc/49/16/57/1031491657.db2.gz ZWJCEQBINSWRHA-CKEIUWERSA-N 1 2 331.485 3.879 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2C1 ZINC000347423986 1031512716 /nfs/dbraw/zinc/51/27/16/1031512716.db2.gz GPRUQUYISQTIGL-KGLIPLIRSA-N 1 2 343.496 3.626 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726184 1031516872 /nfs/dbraw/zinc/51/68/72/1031516872.db2.gz PNJQSAYVMLOPKG-ROUUACIJSA-N 1 2 329.488 3.905 20 0 EHADLO CC[C@H](C)Oc1nccnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000527958661 1031521578 /nfs/dbraw/zinc/52/15/78/1031521578.db2.gz HMOCDUCLRZDZFR-INIZCTEOSA-N 1 2 343.475 3.547 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000484349901 1031550792 /nfs/dbraw/zinc/55/07/92/1031550792.db2.gz JVSSZDPOVHLFQD-CYBMUJFWSA-N 1 2 332.341 3.675 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000484349901 1031550803 /nfs/dbraw/zinc/55/08/03/1031550803.db2.gz JVSSZDPOVHLFQD-CYBMUJFWSA-N 1 2 332.341 3.675 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(Br)c1 ZINC000084221720 1031588527 /nfs/dbraw/zinc/58/85/27/1031588527.db2.gz PHYRQGLMRHNJPV-NSHDSACASA-N 1 2 328.250 3.611 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000084221720 1031588547 /nfs/dbraw/zinc/58/85/47/1031588547.db2.gz PHYRQGLMRHNJPV-NSHDSACASA-N 1 2 328.250 3.611 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448746814 1031588972 /nfs/dbraw/zinc/58/89/72/1031588972.db2.gz CUDBUECKQCVBBL-SNVBAGLBSA-N 1 2 329.297 3.929 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347441632 1031590114 /nfs/dbraw/zinc/59/01/14/1031590114.db2.gz LCMMULQSDRRWCL-MOPGFXCFSA-N 1 2 339.483 3.956 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000897385783 1031608471 /nfs/dbraw/zinc/60/84/71/1031608471.db2.gz MOSSWSNYZHBIKJ-UHFFFAOYSA-N 1 2 346.519 3.519 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000897385783 1031608486 /nfs/dbraw/zinc/60/84/86/1031608486.db2.gz MOSSWSNYZHBIKJ-UHFFFAOYSA-N 1 2 346.519 3.519 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C1CC1 ZINC000528036390 1031616235 /nfs/dbraw/zinc/61/62/35/1031616235.db2.gz QWEJDJKORAPIPF-YMDJXIFWSA-N 1 2 342.483 3.526 20 0 EHADLO Clc1ccc2nc([C@H]3CCC[N@@H+]3CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000329663979 1031674545 /nfs/dbraw/zinc/67/45/45/1031674545.db2.gz JRMYIIALPHWLQV-IAGOWNOFSA-N 1 2 349.862 3.896 20 0 EHADLO Clc1ccc2nc([C@H]3CCC[N@H+]3CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000329663979 1031674557 /nfs/dbraw/zinc/67/45/57/1031674557.db2.gz JRMYIIALPHWLQV-IAGOWNOFSA-N 1 2 349.862 3.896 20 0 EHADLO CCCCOCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475732155 1031686608 /nfs/dbraw/zinc/68/66/08/1031686608.db2.gz PEPJGFSOHYQVGC-INIZCTEOSA-N 1 2 331.378 3.895 20 0 EHADLO CCCCOCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475732155 1031686616 /nfs/dbraw/zinc/68/66/16/1031686616.db2.gz PEPJGFSOHYQVGC-INIZCTEOSA-N 1 2 331.378 3.895 20 0 EHADLO Cc1csc(-c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)n1 ZINC000178366246 1031689717 /nfs/dbraw/zinc/68/97/17/1031689717.db2.gz GJAGRKITMIJZGJ-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO [NH3+][C@H](c1nc(CCC(F)(F)F)no1)c1ccccc1C(F)(F)F ZINC000904084513 1031717351 /nfs/dbraw/zinc/71/73/51/1031717351.db2.gz BZVHQZNMXPFKQH-JTQLQIEISA-N 1 2 339.239 3.631 20 0 EHADLO COc1cccc([C@@H](C)[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484562787 1031739154 /nfs/dbraw/zinc/73/91/54/1031739154.db2.gz GYXRWXNPGZYQIP-UZLBHIALSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc([C@@H](C)[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484562787 1031739167 /nfs/dbraw/zinc/73/91/67/1031739167.db2.gz GYXRWXNPGZYQIP-UZLBHIALSA-N 1 2 327.424 3.536 20 0 EHADLO c1nnc([C@H]([NH2+]Cc2cccc3c2CCCN3)C2CCCCC2)[nH]1 ZINC000584107422 1031743993 /nfs/dbraw/zinc/74/39/93/1031743993.db2.gz YSZIMQHKWFYVGF-GOSISDBHSA-N 1 2 325.460 3.574 20 0 EHADLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000117576067 1031756063 /nfs/dbraw/zinc/75/60/63/1031756063.db2.gz OTKWCWZKJRROPO-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cc[nH+]c1 ZINC000551909802 1031765295 /nfs/dbraw/zinc/76/52/95/1031765295.db2.gz ZVFKLFHLPXOVAF-SECBINFHSA-N 1 2 329.734 3.728 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[C@H]1C1CC1 ZINC000528139794 1031766011 /nfs/dbraw/zinc/76/60/11/1031766011.db2.gz MCQHJUVNYSSNEQ-DAXOMENPSA-N 1 2 333.501 3.606 20 0 EHADLO O=C(Nc1ccc(-c2csnn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117625526 1031783766 /nfs/dbraw/zinc/78/37/66/1031783766.db2.gz MSCJGXWQBSWZNY-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CCO[C@H](c1noc(Cc2cn3cccc(C)c3[nH+]2)n1)C1CCCC1 ZINC000904148143 1031794168 /nfs/dbraw/zinc/79/41/68/1031794168.db2.gz VCFLKGFTSSBGNL-KRWDZBQOSA-N 1 2 340.427 3.884 20 0 EHADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000904150834 1031799544 /nfs/dbraw/zinc/79/95/44/1031799544.db2.gz VJRPPYWYPZEANL-HOTGVXAUSA-N 1 2 330.453 3.649 20 0 EHADLO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000904150834 1031799559 /nfs/dbraw/zinc/79/95/59/1031799559.db2.gz VJRPPYWYPZEANL-HOTGVXAUSA-N 1 2 330.453 3.649 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCSc2ccccc21)C1CC1 ZINC000086232984 1031815368 /nfs/dbraw/zinc/81/53/68/1031815368.db2.gz ZBYKLPNLJDOSDU-AWEZNQCLSA-N 1 2 342.464 3.944 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCSc2ccccc21)C1CC1 ZINC000086232984 1031815381 /nfs/dbraw/zinc/81/53/81/1031815381.db2.gz ZBYKLPNLJDOSDU-AWEZNQCLSA-N 1 2 342.464 3.944 20 0 EHADLO C[C@H]1Cc2ccccc2N(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635502037 1031818947 /nfs/dbraw/zinc/81/89/47/1031818947.db2.gz COFGINHAKKSXGT-SWLSCSKDSA-N 1 2 337.345 3.602 20 0 EHADLO C[C@@H]1CC(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000180136332 1031819929 /nfs/dbraw/zinc/81/99/29/1031819929.db2.gz PBDOQDGNBTVYGR-HOTGVXAUSA-N 1 2 325.456 3.620 20 0 EHADLO CCCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)no1 ZINC000484644837 1031834159 /nfs/dbraw/zinc/83/41/59/1031834159.db2.gz MRHFILFXAHYSOW-SJORKVTESA-N 1 2 329.444 3.810 20 0 EHADLO CCCc1nc(C[NH2+][C@H]2CCCC[C@H]2Oc2cccc(C)c2)no1 ZINC000484644834 1031834792 /nfs/dbraw/zinc/83/47/92/1031834792.db2.gz MRHFILFXAHYSOW-DLBZAZTESA-N 1 2 329.444 3.810 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000117749024 1031844749 /nfs/dbraw/zinc/84/47/49/1031844749.db2.gz VANMWMVDISORCN-IBGZPJMESA-N 1 2 335.382 3.989 20 0 EHADLO C[C@H](CC(=O)N1CC2(CCCC2)c2c1cccc2F)n1cc[nH+]c1 ZINC000584175513 1031859398 /nfs/dbraw/zinc/85/93/98/1031859398.db2.gz BXCJZDLIWPVLBR-CQSZACIVSA-N 1 2 327.403 3.832 20 0 EHADLO Fc1cc2[nH+]ccc(NCC34CC(C3)CO4)c2cc1Br ZINC000528185187 1031862673 /nfs/dbraw/zinc/86/26/73/1031862673.db2.gz MPOIBRDIYUKXKM-UHFFFAOYSA-N 1 2 337.192 3.727 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccn1C1CCCC1 ZINC000180234887 1031870541 /nfs/dbraw/zinc/87/05/41/1031870541.db2.gz DJIPVJHBWPMYQD-UHFFFAOYSA-N 1 2 348.450 3.778 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cocn3)no2)cc1 ZINC000528173155 1031876044 /nfs/dbraw/zinc/87/60/44/1031876044.db2.gz RAATXSTUVZNDLD-CQSZACIVSA-N 1 2 330.775 3.715 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cocn3)no2)cc1 ZINC000528173155 1031876057 /nfs/dbraw/zinc/87/60/57/1031876057.db2.gz RAATXSTUVZNDLD-CQSZACIVSA-N 1 2 330.775 3.715 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(Cc2csc(C3CCCC3)n2)n1 ZINC000904264540 1031891389 /nfs/dbraw/zinc/89/13/89/1031891389.db2.gz LAWAPLVQCAUAAX-UHFFFAOYSA-N 1 2 341.440 3.727 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000904269600 1031895314 /nfs/dbraw/zinc/89/53/14/1031895314.db2.gz MGFGNYZDBUBGJC-OAHLLOKOSA-N 1 2 336.395 3.583 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000080665033 1031919853 /nfs/dbraw/zinc/91/98/53/1031919853.db2.gz ZTCCJAJZFTWONJ-ZOBUZTSGSA-N 1 2 344.459 3.610 20 0 EHADLO Cn1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c(C(F)(F)F)n1 ZINC000180987127 1031931988 /nfs/dbraw/zinc/93/19/88/1031931988.db2.gz XWHLFOBJDZDRLG-MRXNPFEDSA-N 1 2 346.356 3.713 20 0 EHADLO COCc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000181192400 1031951462 /nfs/dbraw/zinc/95/14/62/1031951462.db2.gz GECUNLVZJFJKRW-UHFFFAOYSA-N 1 2 347.827 3.986 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)no1 ZINC000537843076 1031956737 /nfs/dbraw/zinc/95/67/37/1031956737.db2.gz IKSDXGRNSUBXNK-MRXNPFEDSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)no1 ZINC000537843076 1031956755 /nfs/dbraw/zinc/95/67/55/1031956755.db2.gz IKSDXGRNSUBXNK-MRXNPFEDSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(C(C)(C)c4cc(C)ccn4)no3)ccn12 ZINC000528263054 1031980369 /nfs/dbraw/zinc/98/03/69/1031980369.db2.gz LOQJCXGZADIQFS-UHFFFAOYSA-N 1 2 333.395 3.722 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2c(c1)OCCO2 ZINC000278687868 1031998882 /nfs/dbraw/zinc/99/88/82/1031998882.db2.gz PNZJMJZGUSDWIO-VIFPVBQESA-N 1 2 344.358 3.784 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[NH+]1CCOCC1 ZINC000460769922 1032016611 /nfs/dbraw/zinc/01/66/11/1032016611.db2.gz RBTZSQJHQSHSOR-LJQANCHMSA-N 1 2 343.471 3.552 20 0 EHADLO Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181418738 1032023002 /nfs/dbraw/zinc/02/30/02/1032023002.db2.gz KXFKGEMSFDHLSE-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(Cl)nc3)n2)cc1 ZINC000181412898 1032023599 /nfs/dbraw/zinc/02/35/99/1032023599.db2.gz VRFUXDYNHXKSTM-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)nn1 ZINC000685411074 1033297861 /nfs/dbraw/zinc/29/78/61/1033297861.db2.gz ZNZMXNPGUWXFGR-FQEVSTJZSA-N 1 2 334.423 3.618 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)nn1 ZINC000685411074 1033297874 /nfs/dbraw/zinc/29/78/74/1033297874.db2.gz ZNZMXNPGUWXFGR-FQEVSTJZSA-N 1 2 334.423 3.618 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CC[C@@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054882 1033307321 /nfs/dbraw/zinc/30/73/21/1033307321.db2.gz KMJOFKSJISWGMM-TZMCWYRMSA-N 1 2 344.352 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CC[C@@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054882 1033307332 /nfs/dbraw/zinc/30/73/32/1033307332.db2.gz KMJOFKSJISWGMM-TZMCWYRMSA-N 1 2 344.352 3.514 20 0 EHADLO CCCc1csc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000574622728 1033324138 /nfs/dbraw/zinc/32/41/38/1033324138.db2.gz ITRHNYZACIWZEZ-MRXNPFEDSA-N 1 2 344.528 3.926 20 0 EHADLO CCCc1csc(CN2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000574622728 1033324168 /nfs/dbraw/zinc/32/41/68/1033324168.db2.gz ITRHNYZACIWZEZ-MRXNPFEDSA-N 1 2 344.528 3.926 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@]1=O ZINC000574636483 1033330659 /nfs/dbraw/zinc/33/06/59/1033330659.db2.gz ZQKVTJHQARXDKQ-MYYSRTQBSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@]1=O ZINC000574636483 1033330663 /nfs/dbraw/zinc/33/06/63/1033330663.db2.gz ZQKVTJHQARXDKQ-MYYSRTQBSA-N 1 2 347.455 3.961 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc2cccc(F)c2o1 ZINC000607822793 1033341293 /nfs/dbraw/zinc/34/12/93/1033341293.db2.gz LOWPCEBWGNLOQU-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487412 1033369380 /nfs/dbraw/zinc/36/93/80/1033369380.db2.gz CMPBILKFEJKDLD-NEPJUHHUSA-N 1 2 328.551 3.802 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487412 1033369390 /nfs/dbraw/zinc/36/93/90/1033369390.db2.gz CMPBILKFEJKDLD-NEPJUHHUSA-N 1 2 328.551 3.802 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)s1 ZINC000449903928 1033404377 /nfs/dbraw/zinc/40/43/77/1033404377.db2.gz OOSNCEKLJDDZAA-UHFFFAOYSA-N 1 2 344.471 3.636 20 0 EHADLO COc1ccc(OC)c(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761382084 1033430744 /nfs/dbraw/zinc/43/07/44/1033430744.db2.gz LYEQJLZYZFEXPP-UHFFFAOYSA-N 1 2 348.362 3.607 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC(C)(C)N(C)C ZINC000061015295 1033438322 /nfs/dbraw/zinc/43/83/22/1033438322.db2.gz QPLLYVZXVKFDQX-UHFFFAOYSA-N 1 2 348.922 3.881 20 0 EHADLO CCCCN(C(=O)NCc1c[nH+]cn1C)[C@H](CC)c1ccccc1 ZINC000358128758 1033444257 /nfs/dbraw/zinc/44/42/57/1033444257.db2.gz COXZLSVDOFUCRU-GOSISDBHSA-N 1 2 328.460 3.883 20 0 EHADLO CCc1cc(N2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)ncn1 ZINC000608091046 1033487266 /nfs/dbraw/zinc/48/72/66/1033487266.db2.gz HAYFPTDEPIOUNZ-GOSISDBHSA-N 1 2 346.425 3.591 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000449959552 1033497784 /nfs/dbraw/zinc/49/77/84/1033497784.db2.gz MEDNBAPANMMPNI-HNNXBMFYSA-N 1 2 329.444 3.517 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608208593 1033544708 /nfs/dbraw/zinc/54/47/08/1033544708.db2.gz WDSIPOPJCRYMBO-KBAYOESNSA-N 1 2 325.456 3.646 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000608260540 1033553076 /nfs/dbraw/zinc/55/30/76/1033553076.db2.gz ZZHBDQKOVNKAEY-KRWDZBQOSA-N 1 2 338.386 3.665 20 0 EHADLO O=C(NCC(C1CC1)C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000608266601 1033560864 /nfs/dbraw/zinc/56/08/64/1033560864.db2.gz TYYRVLDRXKEDEJ-UHFFFAOYSA-N 1 2 348.516 3.687 20 0 EHADLO CCc1cc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)ncn1 ZINC000603393855 1033583368 /nfs/dbraw/zinc/58/33/68/1033583368.db2.gz IJHYKVZUULKXKR-UHFFFAOYSA-N 1 2 339.468 3.871 20 0 EHADLO CCc1cc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)ncn1 ZINC000603393855 1033583371 /nfs/dbraw/zinc/58/33/71/1033583371.db2.gz IJHYKVZUULKXKR-UHFFFAOYSA-N 1 2 339.468 3.871 20 0 EHADLO CCOC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000595026117 1033629145 /nfs/dbraw/zinc/62/91/45/1033629145.db2.gz DPCGAVNUTOCFLN-CTWPCTMYSA-N 1 2 347.499 3.877 20 0 EHADLO CC(C)[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000063750689 1033646839 /nfs/dbraw/zinc/64/68/39/1033646839.db2.gz TWTNHICFZQLPDW-UHFFFAOYSA-N 1 2 331.423 3.550 20 0 EHADLO CC(C)[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000063750689 1033646850 /nfs/dbraw/zinc/64/68/50/1033646850.db2.gz TWTNHICFZQLPDW-UHFFFAOYSA-N 1 2 331.423 3.550 20 0 EHADLO Cc1cccc(CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608392737 1033670823 /nfs/dbraw/zinc/67/08/23/1033670823.db2.gz YDGPWGWPOHOHAY-LJQANCHMSA-N 1 2 348.450 3.512 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000529239706 1033672275 /nfs/dbraw/zinc/67/22/75/1033672275.db2.gz XKMOHRZQLDHCHP-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO CC(C)(C)Oc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000685650872 1033674955 /nfs/dbraw/zinc/67/49/55/1033674955.db2.gz IVAKGAKNSHLIJB-UHFFFAOYSA-N 1 2 338.411 3.833 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000120320758 1033688570 /nfs/dbraw/zinc/68/85/70/1033688570.db2.gz XHVWLPBTJOXXLY-CMDGGOBGSA-N 1 2 331.419 3.913 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000595299573 1033723662 /nfs/dbraw/zinc/72/36/62/1033723662.db2.gz UWOJOUOXDHZSOH-MRXNPFEDSA-N 1 2 341.436 3.748 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000595299573 1033723674 /nfs/dbraw/zinc/72/36/74/1033723674.db2.gz UWOJOUOXDHZSOH-MRXNPFEDSA-N 1 2 341.436 3.748 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)[C@@H](C)CO1 ZINC000608498605 1033731258 /nfs/dbraw/zinc/73/12/58/1033731258.db2.gz ACDWWTZRSNHZKG-FVJLSDCUSA-N 1 2 339.435 3.597 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)[C@@H](C)CO1 ZINC000608498605 1033731270 /nfs/dbraw/zinc/73/12/70/1033731270.db2.gz ACDWWTZRSNHZKG-FVJLSDCUSA-N 1 2 339.435 3.597 20 0 EHADLO O=C([C@@H]1CCCC12CC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529272836 1033748894 /nfs/dbraw/zinc/74/88/94/1033748894.db2.gz PRQCJHDQMIMOTB-WBVHZDCISA-N 1 2 327.472 3.506 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000595359779 1033781925 /nfs/dbraw/zinc/78/19/25/1033781925.db2.gz FWXYUQKEGXVRKP-QGZVFWFLSA-N 1 2 335.451 3.549 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599174029 1033787067 /nfs/dbraw/zinc/78/70/67/1033787067.db2.gz IMMGQVVLPUCMQA-INIZCTEOSA-N 1 2 330.815 3.940 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000595426651 1033797763 /nfs/dbraw/zinc/79/77/63/1033797763.db2.gz RBVMGUGOBYGALK-CRAIPNDOSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000595426651 1033797781 /nfs/dbraw/zinc/79/77/81/1033797781.db2.gz RBVMGUGOBYGALK-CRAIPNDOSA-N 1 2 344.842 3.514 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000608716561 1033852086 /nfs/dbraw/zinc/85/20/86/1033852086.db2.gz WDGDQZJSRVPVJO-MSOLQXFVSA-N 1 2 338.455 3.840 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000575119700 1033864598 /nfs/dbraw/zinc/86/45/98/1033864598.db2.gz ZOCRENCDVXWUNP-UHFFFAOYSA-N 1 2 328.435 3.776 20 0 EHADLO Cn1nc(C2CC2)nc1C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000575119700 1033864621 /nfs/dbraw/zinc/86/46/21/1033864621.db2.gz ZOCRENCDVXWUNP-UHFFFAOYSA-N 1 2 328.435 3.776 20 0 EHADLO CCCc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000120551747 1033922760 /nfs/dbraw/zinc/92/27/60/1033922760.db2.gz YQHMQCWWXPAXAW-OAHLLOKOSA-N 1 2 345.512 3.837 20 0 EHADLO COc1ccc(C2(C(=O)Nc3ccc4[nH+]ccn4c3)CCCC2)cc1 ZINC000603808665 1033939893 /nfs/dbraw/zinc/93/98/93/1033939893.db2.gz IPVVGRBTTFPCLB-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO Cc1cc2occ(CC(=O)N3CC(n4cc[nH+]c4)C3)c2cc1C(C)C ZINC000603813693 1033943359 /nfs/dbraw/zinc/94/33/59/1033943359.db2.gz ASZNQYMUAJVURC-UHFFFAOYSA-N 1 2 337.423 3.687 20 0 EHADLO Cn1cnnc1[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450239466 1033961952 /nfs/dbraw/zinc/96/19/52/1033961952.db2.gz DUBFQNHYJZLJOA-LLVKDONJSA-N 1 2 345.809 3.540 20 0 EHADLO CC(C)Oc1ccc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117604568 1033963869 /nfs/dbraw/zinc/96/38/69/1033963869.db2.gz YCWORCHIKKGIDO-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC2CC2)c1C ZINC000450250128 1033965027 /nfs/dbraw/zinc/96/50/27/1033965027.db2.gz GZGKJOHHCWOEDV-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OC2CC2)c1C ZINC000450250128 1033965046 /nfs/dbraw/zinc/96/50/46/1033965046.db2.gz GZGKJOHHCWOEDV-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO CC(C)C(=O)NC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450256419 1033976160 /nfs/dbraw/zinc/97/61/60/1033976160.db2.gz HGENPRORFPLCQZ-UHFFFAOYSA-N 1 2 349.837 3.768 20 0 EHADLO COC(=O)c1coc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1 ZINC000599533609 1033994159 /nfs/dbraw/zinc/99/41/59/1033994159.db2.gz OZTJAAZODNPAIT-UHFFFAOYSA-N 1 2 330.409 3.701 20 0 EHADLO CN(Cc1ccccc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869231 1034032939 /nfs/dbraw/zinc/03/29/39/1034032939.db2.gz JQBVIGOQVPWMCH-IBGZPJMESA-N 1 2 348.450 3.546 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869242 1034032993 /nfs/dbraw/zinc/03/29/93/1034032993.db2.gz CANUOEZCKVSFBC-ZWKOTPCHSA-N 1 2 340.471 3.678 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1nccs1 ZINC000529487476 1034033496 /nfs/dbraw/zinc/03/34/96/1034033496.db2.gz TXOUYZIADNFQMH-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1nccs1 ZINC000529487476 1034033505 /nfs/dbraw/zinc/03/35/05/1034033505.db2.gz TXOUYZIADNFQMH-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450279977 1034043036 /nfs/dbraw/zinc/04/30/36/1034043036.db2.gz VYTRKTGQWKILCZ-OAHLLOKOSA-N 1 2 327.325 3.922 20 0 EHADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450279977 1034043040 /nfs/dbraw/zinc/04/30/40/1034043040.db2.gz VYTRKTGQWKILCZ-OAHLLOKOSA-N 1 2 327.325 3.922 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)nc1C1CC1 ZINC000456042513 1034052785 /nfs/dbraw/zinc/05/27/85/1034052785.db2.gz OTWQAKOFOMXDCN-UHFFFAOYSA-N 1 2 340.471 3.579 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450299244 1034053244 /nfs/dbraw/zinc/05/32/44/1034053244.db2.gz OHEJMVUJYGXTKS-GFCCVEGCSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450299244 1034053253 /nfs/dbraw/zinc/05/32/53/1034053253.db2.gz OHEJMVUJYGXTKS-GFCCVEGCSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2F)[C@H]1c1cccc(F)c1 ZINC000472359246 1034059317 /nfs/dbraw/zinc/05/93/17/1034059317.db2.gz KXHZZLDRIVYCKZ-ORAYPTAESA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)[C@H]1c1cccc(F)c1 ZINC000472359246 1034059333 /nfs/dbraw/zinc/05/93/33/1034059333.db2.gz KXHZZLDRIVYCKZ-ORAYPTAESA-N 1 2 330.378 3.986 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000603944714 1034061798 /nfs/dbraw/zinc/06/17/98/1034061798.db2.gz REGNUTBNQRXZCC-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000603944714 1034061814 /nfs/dbraw/zinc/06/18/14/1034061814.db2.gz REGNUTBNQRXZCC-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2OC(F)F)c1F ZINC000658227195 1034086281 /nfs/dbraw/zinc/08/62/81/1034086281.db2.gz WWOLIMBUZXJHHY-SNVBAGLBSA-N 1 2 326.318 3.682 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)oc1C ZINC000599691364 1034095410 /nfs/dbraw/zinc/09/54/10/1034095410.db2.gz AMYOENICXXKGJM-UHFFFAOYSA-N 1 2 335.350 3.822 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(Cl)c1F ZINC000658213463 1034098505 /nfs/dbraw/zinc/09/85/05/1034098505.db2.gz RTRULRDRCQEMKC-OAHLLOKOSA-N 1 2 337.826 3.567 20 0 EHADLO C[N@H+](Cc1ccc(-c2ccccc2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529517294 1034099848 /nfs/dbraw/zinc/09/98/48/1034099848.db2.gz MMNZKVVTMMDGNA-MRXNPFEDSA-N 1 2 349.883 3.626 20 0 EHADLO C[N@@H+](Cc1ccc(-c2ccccc2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529517294 1034099864 /nfs/dbraw/zinc/09/98/64/1034099864.db2.gz MMNZKVVTMMDGNA-MRXNPFEDSA-N 1 2 349.883 3.626 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000596199866 1034109783 /nfs/dbraw/zinc/10/97/83/1034109783.db2.gz JVLDOSOYWYZTCT-AWEZNQCLSA-N 1 2 338.329 3.555 20 0 EHADLO CC(C)C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000658234662 1034118086 /nfs/dbraw/zinc/11/80/86/1034118086.db2.gz YSIHMDSZKSATPW-CYBMUJFWSA-N 1 2 337.876 3.772 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529532970 1034119765 /nfs/dbraw/zinc/11/97/65/1034119765.db2.gz JYTBRCZGTMNGJX-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529532970 1034119778 /nfs/dbraw/zinc/11/97/78/1034119778.db2.gz JYTBRCZGTMNGJX-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO C[C@@H](CO)[C@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450350359 1034160388 /nfs/dbraw/zinc/16/03/88/1034160388.db2.gz QHTZDPAWEYUBGB-IUCAKERBSA-N 1 2 327.197 3.565 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000537617059 1034164161 /nfs/dbraw/zinc/16/41/61/1034164161.db2.gz XLKIOVASHCQQKJ-BEFAXECRSA-N 1 2 343.423 3.727 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000537617059 1034164166 /nfs/dbraw/zinc/16/41/66/1034164166.db2.gz XLKIOVASHCQQKJ-BEFAXECRSA-N 1 2 343.423 3.727 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C2CCC(C3CCC3)CC2)c2nnc[nH]2)cc1 ZINC000658328537 1034179280 /nfs/dbraw/zinc/17/92/80/1034179280.db2.gz WTOVHIZQJCWHSI-IUPXNIOVSA-N 1 2 328.435 3.982 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(F)(F)C(C)(C)C)cc1 ZINC000658337111 1034208248 /nfs/dbraw/zinc/20/82/48/1034208248.db2.gz NPGFYWBMNAAPKV-LBPRGKRZSA-N 1 2 348.459 3.780 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1nccn1C ZINC000658335877 1034209868 /nfs/dbraw/zinc/20/98/68/1034209868.db2.gz IPIMDIZNWDMAQM-UWVGGRQHSA-N 1 2 326.213 3.734 20 0 EHADLO CCCOc1cccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000537622325 1034224807 /nfs/dbraw/zinc/22/48/07/1034224807.db2.gz TVHZMHWQBSNHIN-CQSZACIVSA-N 1 2 330.394 3.544 20 0 EHADLO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332371 1034249391 /nfs/dbraw/zinc/24/93/91/1034249391.db2.gz XLIRXFNKPMVKCE-DVOMOZLQSA-N 1 2 341.904 3.927 20 0 EHADLO C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332371 1034249409 /nfs/dbraw/zinc/24/94/09/1034249409.db2.gz XLIRXFNKPMVKCE-DVOMOZLQSA-N 1 2 341.904 3.927 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCC[C@@H](Cn4ccnn4)C3)c2cc1Cl ZINC000450401639 1034272492 /nfs/dbraw/zinc/27/24/92/1034272492.db2.gz ISUPEVVSLPVUHL-GFCCVEGCSA-N 1 2 345.809 3.535 20 0 EHADLO CC(C)C(=O)NCCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450399873 1034273709 /nfs/dbraw/zinc/27/37/09/1034273709.db2.gz FBMWWBKQZOWGRL-UHFFFAOYSA-N 1 2 339.361 3.828 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](c4ccccc4)C[C@H]3C)[nH+]c12 ZINC000604257827 1034306837 /nfs/dbraw/zinc/30/68/37/1034306837.db2.gz OFMASRRKYSIEDN-SJLPKXTDSA-N 1 2 333.435 3.590 20 0 EHADLO Cc1ccc(CCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000030516493 1034308262 /nfs/dbraw/zinc/30/82/62/1034308262.db2.gz GUCWRAXXOHDKNS-UHFFFAOYSA-N 1 2 333.435 3.852 20 0 EHADLO C[C@H](c1csnn1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000450441959 1034338291 /nfs/dbraw/zinc/33/82/91/1034338291.db2.gz RLVSPULDVZSVGT-CHWSQXEVSA-N 1 2 336.892 3.631 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000604669631 1034448942 /nfs/dbraw/zinc/44/89/42/1034448942.db2.gz SURYMZDMLSAQRS-SJORKVTESA-N 1 2 326.444 3.608 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000604669628 1034449975 /nfs/dbraw/zinc/44/99/75/1034449975.db2.gz SURYMZDMLSAQRS-DLBZAZTESA-N 1 2 326.444 3.608 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393582 1034471184 /nfs/dbraw/zinc/47/11/84/1034471184.db2.gz SOUZHSRGLFQXRR-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393582 1034471192 /nfs/dbraw/zinc/47/11/92/1034471192.db2.gz SOUZHSRGLFQXRR-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO CCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381997 1034478657 /nfs/dbraw/zinc/47/86/57/1034478657.db2.gz LWMPSCUNWCNECI-HUUCEWRRSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381997 1034478664 /nfs/dbraw/zinc/47/86/64/1034478664.db2.gz LWMPSCUNWCNECI-HUUCEWRRSA-N 1 2 341.858 3.712 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000604733616 1034479915 /nfs/dbraw/zinc/47/99/15/1034479915.db2.gz NFWRXBHOGCUXGR-INIZCTEOSA-N 1 2 349.887 3.633 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000604737987 1034481681 /nfs/dbraw/zinc/48/16/81/1034481681.db2.gz BMRUBZPHZFJPBZ-KRWDZBQOSA-N 1 2 342.508 3.895 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121185093 1034493838 /nfs/dbraw/zinc/49/38/38/1034493838.db2.gz OFAGPHANJNJPLN-HNNXBMFYSA-N 1 2 327.302 3.752 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121185093 1034493849 /nfs/dbraw/zinc/49/38/49/1034493849.db2.gz OFAGPHANJNJPLN-HNNXBMFYSA-N 1 2 327.302 3.752 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000597053099 1034524045 /nfs/dbraw/zinc/52/40/45/1034524045.db2.gz PGWSIMHDXZQYSY-INIZCTEOSA-N 1 2 341.411 3.738 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C\c3ccco3)n2)C1 ZINC000255840791 1034541913 /nfs/dbraw/zinc/54/19/13/1034541913.db2.gz FHRASHNJULZIMF-FMFIFOJESA-N 1 2 331.441 3.620 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C\c3ccco3)n2)C1 ZINC000255840791 1034541919 /nfs/dbraw/zinc/54/19/19/1034541919.db2.gz FHRASHNJULZIMF-FMFIFOJESA-N 1 2 331.441 3.620 20 0 EHADLO CC(C)n1ccc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000604884839 1034545540 /nfs/dbraw/zinc/54/55/40/1034545540.db2.gz NTQVSIKZIOSGDW-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccn(C(C)C)n2)ccc1OC(F)F ZINC000604884076 1034546339 /nfs/dbraw/zinc/54/63/39/1034546339.db2.gz LGNIKAOWKAYCLC-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccn(C(C)C)n2)ccc1OC(F)F ZINC000604884076 1034546341 /nfs/dbraw/zinc/54/63/41/1034546341.db2.gz LGNIKAOWKAYCLC-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)[nH]1 ZINC000642202771 1034547079 /nfs/dbraw/zinc/54/70/79/1034547079.db2.gz XVAPROPAMHHOKC-UHFFFAOYSA-N 1 2 332.473 3.572 20 0 EHADLO CCCC[C@@H](CC)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000604940891 1034556224 /nfs/dbraw/zinc/55/62/24/1034556224.db2.gz ADKJVHROHXBTEE-GOSISDBHSA-N 1 2 345.531 3.979 20 0 EHADLO Cc1ccnc([C@@H](C)[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000375801453 1034556390 /nfs/dbraw/zinc/55/63/90/1034556390.db2.gz KJPJXYVAVGUTAL-PBHICJAKSA-N 1 2 337.427 3.883 20 0 EHADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000647461854 1034599697 /nfs/dbraw/zinc/59/96/97/1034599697.db2.gz HASCCDVULRXDGD-NSHDSACASA-N 1 2 340.851 3.860 20 0 EHADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000647461854 1034599703 /nfs/dbraw/zinc/59/97/03/1034599703.db2.gz HASCCDVULRXDGD-NSHDSACASA-N 1 2 340.851 3.860 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccccc3OC)o2)c1 ZINC000534519129 1034623562 /nfs/dbraw/zinc/62/35/62/1034623562.db2.gz WVHNCQSLXPSJBQ-UHFFFAOYSA-N 1 2 343.408 3.750 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(F)(F)F)c3ccccc3)[nH+]c12 ZINC000605091917 1034625172 /nfs/dbraw/zinc/62/51/72/1034625172.db2.gz XWSKJNSJSMRRRE-UHFFFAOYSA-N 1 2 347.340 3.781 20 0 EHADLO COCOc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001211632529 1034627540 /nfs/dbraw/zinc/62/75/40/1034627540.db2.gz AGMJHGHVUUESMQ-UHFFFAOYSA-N 1 2 348.200 3.823 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000450681836 1034679641 /nfs/dbraw/zinc/67/96/41/1034679641.db2.gz NDURUBNSTNXBAN-CQSZACIVSA-N 1 2 331.782 3.719 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000375847165 1034707995 /nfs/dbraw/zinc/70/79/95/1034707995.db2.gz ALVOCBFOQBJXLI-BRWVUGGUSA-N 1 2 343.471 3.808 20 0 EHADLO Brc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)nc1 ZINC000601756624 1034726469 /nfs/dbraw/zinc/72/64/69/1034726469.db2.gz SOYYIQYSEOFVIJ-KRWDZBQOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)nc1 ZINC000601756624 1034726483 /nfs/dbraw/zinc/72/64/83/1034726483.db2.gz SOYYIQYSEOFVIJ-KRWDZBQOSA-N 1 2 347.256 3.808 20 0 EHADLO O=C(Nc1ccc(O)c(F)c1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456781916 1034727769 /nfs/dbraw/zinc/72/77/69/1034727769.db2.gz KCBTVENWLQFRNY-HNNXBMFYSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1ccc(O)c(F)c1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456781916 1034727779 /nfs/dbraw/zinc/72/77/79/1034727779.db2.gz KCBTVENWLQFRNY-HNNXBMFYSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000456787180 1034732036 /nfs/dbraw/zinc/73/20/36/1034732036.db2.gz XSZDYCCWDCRJAM-QYZOEREBSA-N 1 2 337.467 3.536 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3cn(CC4CC4)nn3)c(C)c2c1 ZINC000450729192 1034735767 /nfs/dbraw/zinc/73/57/67/1034735767.db2.gz OKSXUOJRKACGQG-CYBMUJFWSA-N 1 2 340.427 3.602 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)n1 ZINC000450725514 1034753872 /nfs/dbraw/zinc/75/38/72/1034753872.db2.gz QZWQCKJYKWMNHT-GFCCVEGCSA-N 1 2 340.452 3.768 20 0 EHADLO FC(F)(F)c1cccc([C@@H]([NH2+]CC2CC(F)(F)C2)c2nnc[nH]2)c1 ZINC000450764010 1034757242 /nfs/dbraw/zinc/75/72/42/1034757242.db2.gz VSBPFCBQPIGZFP-GFCCVEGCSA-N 1 2 346.303 3.548 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c[nH+]1 ZINC000456832037 1034773889 /nfs/dbraw/zinc/77/38/89/1034773889.db2.gz FMXHOHGXPCPCAZ-GFCCVEGCSA-N 1 2 336.794 3.575 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000456836983 1034781078 /nfs/dbraw/zinc/78/10/78/1034781078.db2.gz KFKMGVQEWYSIOO-ZIAGYGMSSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ccc(OC(F)F)cc2)c[nH+]1 ZINC000456867430 1034800352 /nfs/dbraw/zinc/80/03/52/1034800352.db2.gz VXNQUHFWFJILNY-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO O=C(Nc1ccnn1C1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614566 1034852232 /nfs/dbraw/zinc/85/22/32/1034852232.db2.gz RROWMGGFZZHNEX-UHFFFAOYSA-N 1 2 349.438 3.885 20 0 EHADLO C[N@@H+](Cc1ccc(Br)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000065940768 1034978290 /nfs/dbraw/zinc/97/82/90/1034978290.db2.gz UCMXICSNIPIFQY-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1ccc(Br)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000065940768 1034978294 /nfs/dbraw/zinc/97/82/94/1034978294.db2.gz UCMXICSNIPIFQY-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933841 1034981278 /nfs/dbraw/zinc/98/12/78/1034981278.db2.gz JTXYQIHXRLOMFW-HUUCEWRRSA-N 1 2 341.373 3.955 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933841 1034981282 /nfs/dbraw/zinc/98/12/82/1034981282.db2.gz JTXYQIHXRLOMFW-HUUCEWRRSA-N 1 2 341.373 3.955 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000413784895 1035017728 /nfs/dbraw/zinc/01/77/28/1035017728.db2.gz BDUOMOLDRRGAGO-CEXWTWQISA-N 1 2 340.854 3.617 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451024211 1035019542 /nfs/dbraw/zinc/01/95/42/1035019542.db2.gz NDJIKFKCPUDQGD-QGZVFWFLSA-N 1 2 349.478 3.611 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451024211 1035019549 /nfs/dbraw/zinc/01/95/49/1035019549.db2.gz NDJIKFKCPUDQGD-QGZVFWFLSA-N 1 2 349.478 3.611 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CC(F)(F)F)n2)Cc2ccccc2O1 ZINC000451036435 1035037422 /nfs/dbraw/zinc/03/74/22/1035037422.db2.gz KQNPKCZRHOEICO-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CC(F)(F)F)n2)Cc2ccccc2O1 ZINC000451036435 1035037431 /nfs/dbraw/zinc/03/74/31/1035037431.db2.gz KQNPKCZRHOEICO-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO C[C@](CO)([NH2+]Cc1cc(Cl)sc1Cl)c1cccc(O)c1 ZINC000451044050 1035050990 /nfs/dbraw/zinc/05/09/90/1035050990.db2.gz UQTOBADTRDHLDF-CQSZACIVSA-N 1 2 332.252 3.758 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)s1 ZINC000612555434 1035056792 /nfs/dbraw/zinc/05/67/92/1035056792.db2.gz QRNWHSMZNDXXDY-UHFFFAOYSA-N 1 2 329.469 3.680 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000612577510 1035072866 /nfs/dbraw/zinc/07/28/66/1035072866.db2.gz AJXICDSINSHRCY-KZNAEPCWSA-N 1 2 329.488 3.875 20 0 EHADLO O=C(NC1(Cc2ccc(Cl)cc2)CCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000570185844 1035120168 /nfs/dbraw/zinc/12/01/68/1035120168.db2.gz VDISJRCHHPCCFF-HNNXBMFYSA-N 1 2 343.858 3.765 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H](C)CC2CCOCC2)c2ccc(Cl)cc2)no1 ZINC000133071582 1035198391 /nfs/dbraw/zinc/19/83/91/1035198391.db2.gz YYQJMGCOORZOGC-SJKOYZFVSA-N 1 2 349.862 3.916 20 0 EHADLO Cc1ccsc1CCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000161691271 1035393130 /nfs/dbraw/zinc/39/31/30/1035393130.db2.gz LALXYWBEZJLJQV-UHFFFAOYSA-N 1 2 343.496 3.559 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613137388 1035417650 /nfs/dbraw/zinc/41/76/50/1035417650.db2.gz AOIYPBGUNZZQJT-WBAXXEDZSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613137388 1035417653 /nfs/dbraw/zinc/41/76/53/1035417653.db2.gz AOIYPBGUNZZQJT-WBAXXEDZSA-N 1 2 348.437 3.797 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]C(C)(C)c3cnn(C)c3)n2)ccc1F ZINC000545293082 1035444929 /nfs/dbraw/zinc/44/49/29/1035444929.db2.gz PIRWARJFJFKBCG-GFCCVEGCSA-N 1 2 343.406 3.504 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@H]1c1ccco1 ZINC000636306083 1035488106 /nfs/dbraw/zinc/48/81/06/1035488106.db2.gz YXBRMNISFXEJCE-OCCSQVGLSA-N 1 2 341.333 3.579 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000613279014 1035493867 /nfs/dbraw/zinc/49/38/67/1035493867.db2.gz ONXONOJQNGMGIH-IIVZCXTMSA-N 1 2 349.478 3.940 20 0 EHADLO CNc1cc(Cl)ccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000571460882 1035499394 /nfs/dbraw/zinc/49/93/94/1035499394.db2.gz APLUXWHUVCDWCG-UHFFFAOYSA-N 1 2 347.846 3.674 20 0 EHADLO Cc1c(F)cccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000185921546 1035541802 /nfs/dbraw/zinc/54/18/02/1035541802.db2.gz VNQHEQRGACMFOE-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1c(F)cccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000185921546 1035541812 /nfs/dbraw/zinc/54/18/12/1035541812.db2.gz VNQHEQRGACMFOE-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431799930 1035583593 /nfs/dbraw/zinc/58/35/93/1035583593.db2.gz VHUCRJAVPXYBIZ-IMFGXOCKSA-N 1 2 337.467 3.654 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000186181756 1035598022 /nfs/dbraw/zinc/59/80/22/1035598022.db2.gz IXLHZQDMAXMVHV-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000186181756 1035598029 /nfs/dbraw/zinc/59/80/29/1035598029.db2.gz IXLHZQDMAXMVHV-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO Cc1cc(N2CC[C@@H](OCCCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000431801501 1035611111 /nfs/dbraw/zinc/61/11/11/1035611111.db2.gz SDEGRFXOONWABF-LJQANCHMSA-N 1 2 337.467 3.891 20 0 EHADLO Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)nc(C)c1CC(C)C ZINC000431808653 1035624200 /nfs/dbraw/zinc/62/42/00/1035624200.db2.gz CJQKVKPBCUQJFK-UHFFFAOYSA-N 1 2 339.487 3.768 20 0 EHADLO COc1ccc(F)c(N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000540744100 1035652874 /nfs/dbraw/zinc/65/28/74/1035652874.db2.gz HOJACGDRXYHEJC-YWZLYKJASA-N 1 2 344.430 3.708 20 0 EHADLO CCc1cnccc1[C@@H](C)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492339292 1035662333 /nfs/dbraw/zinc/66/23/33/1035662333.db2.gz CCOKVFXUTHVMDI-CXOKCQFOSA-N 1 2 346.434 3.720 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ccccc2OC(F)F)c(C)[nH+]1 ZINC000187141289 1035766735 /nfs/dbraw/zinc/76/67/35/1035766735.db2.gz JHHAMXBBOQUOBS-JOCHJYFZSA-N 1 2 325.380 3.749 20 0 EHADLO COc1cc(OC)c(C2CC[NH+](Cc3cscn3)CC2)c(OC)c1 ZINC000613408497 1035777357 /nfs/dbraw/zinc/77/73/57/1035777357.db2.gz IKVXAZXNFAAQCY-UHFFFAOYSA-N 1 2 348.468 3.549 20 0 EHADLO Cc1ccc(CSc2nnc(-c3ccccc3F)n2C)c(C)[nH+]1 ZINC000187289043 1035802693 /nfs/dbraw/zinc/80/26/93/1035802693.db2.gz PTJGKOGSBPTGCR-UHFFFAOYSA-N 1 2 328.416 3.925 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000534966773 1035836728 /nfs/dbraw/zinc/83/67/28/1035836728.db2.gz KATIILVFIDARSB-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000534966773 1035836748 /nfs/dbraw/zinc/83/67/48/1035836748.db2.gz KATIILVFIDARSB-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1C[C@@H]1C(F)F ZINC000571941185 1035843764 /nfs/dbraw/zinc/84/37/64/1035843764.db2.gz IBAGJYLQYOFCDR-GJZGRUSLSA-N 1 2 346.381 3.662 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669271517 1035882077 /nfs/dbraw/zinc/88/20/77/1035882077.db2.gz VVTJWJXPRADUDI-MANSERQUSA-N 1 2 337.467 3.627 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)nc1C ZINC000414175375 1035894449 /nfs/dbraw/zinc/89/44/49/1035894449.db2.gz ZDLBPSYQMNXFQK-LLVKDONJSA-N 1 2 338.224 3.846 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188090981 1035894819 /nfs/dbraw/zinc/89/48/19/1035894819.db2.gz RLAWMPVQHLSBRE-UHFFFAOYSA-N 1 2 349.214 3.743 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C2CC2)o1 ZINC000613441462 1035895729 /nfs/dbraw/zinc/89/57/29/1035895729.db2.gz CTMDNALPBNFZBH-OAHLLOKOSA-N 1 2 338.451 3.920 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C2CC2)o1 ZINC000613441462 1035895740 /nfs/dbraw/zinc/89/57/40/1035895740.db2.gz CTMDNALPBNFZBH-OAHLLOKOSA-N 1 2 338.451 3.920 20 0 EHADLO CCC(CC)(C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000588638253 1035938267 /nfs/dbraw/zinc/93/82/67/1035938267.db2.gz SJQSMSFMQSODMU-CQSZACIVSA-N 1 2 333.863 3.799 20 0 EHADLO C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000174330050 1035951642 /nfs/dbraw/zinc/95/16/42/1035951642.db2.gz VFNWDRAHCNEDEM-CYBMUJFWSA-N 1 2 341.361 3.684 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572056593 1035960772 /nfs/dbraw/zinc/96/07/72/1035960772.db2.gz UZGSAEFGSHAKNP-OLZOCXBDSA-N 1 2 331.847 3.994 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572056593 1035960790 /nfs/dbraw/zinc/96/07/90/1035960790.db2.gz UZGSAEFGSHAKNP-OLZOCXBDSA-N 1 2 331.847 3.994 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000492561783 1035983279 /nfs/dbraw/zinc/98/32/79/1035983279.db2.gz WJAQZXPTHVQJNV-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000492561783 1035983296 /nfs/dbraw/zinc/98/32/96/1035983296.db2.gz WJAQZXPTHVQJNV-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572246559 1036057124 /nfs/dbraw/zinc/05/71/24/1036057124.db2.gz GQYOMWSLLBDSCI-SYNHAJSKSA-N 1 2 325.456 3.910 20 0 EHADLO CCCC1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000541181980 1036062985 /nfs/dbraw/zinc/06/29/85/1036062985.db2.gz BAJXJCHUKBDJKQ-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(SCc2ccccc2)cc1 ZINC000174752230 1036092829 /nfs/dbraw/zinc/09/28/29/1036092829.db2.gz QMRZKLNDUYEIDX-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000572506457 1036119455 /nfs/dbraw/zinc/11/94/55/1036119455.db2.gz UDUIQMZRANVGBA-IKGGRYGDSA-N 1 2 340.471 3.507 20 0 EHADLO Cc1cc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c(C)c[nH+]1 ZINC000572457445 1036125572 /nfs/dbraw/zinc/12/55/72/1036125572.db2.gz CZDNZEBMKNTWDK-UHFFFAOYSA-N 1 2 347.340 3.890 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cc1F ZINC000189747859 1036133529 /nfs/dbraw/zinc/13/35/29/1036133529.db2.gz UBVCBJLEROWHAD-QWHCGFSZSA-N 1 2 347.438 3.738 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C)n2)C1 ZINC000588911376 1036174293 /nfs/dbraw/zinc/17/42/93/1036174293.db2.gz CMKCGKAFOLSSPI-CYBMUJFWSA-N 1 2 338.521 3.885 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C)n2)C1 ZINC000588911376 1036174303 /nfs/dbraw/zinc/17/43/03/1036174303.db2.gz CMKCGKAFOLSSPI-CYBMUJFWSA-N 1 2 338.521 3.885 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000457474846 1036177484 /nfs/dbraw/zinc/17/74/84/1036177484.db2.gz DJBLGMYDZLIXCC-QWRGUYRKSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000457474846 1036177488 /nfs/dbraw/zinc/17/74/88/1036177488.db2.gz DJBLGMYDZLIXCC-QWRGUYRKSA-N 1 2 349.422 3.902 20 0 EHADLO Cc1cccc(N(C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000170739423 1036182280 /nfs/dbraw/zinc/18/22/80/1036182280.db2.gz HGSJHHZZARAXCZ-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO Clc1ccccc1-c1csc(NCCCCn2cc[nH+]c2)n1 ZINC000541351279 1036225737 /nfs/dbraw/zinc/22/57/37/1036225737.db2.gz XHKPDTRWDUWVLC-UHFFFAOYSA-N 1 2 332.860 3.974 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563856 1036233205 /nfs/dbraw/zinc/23/32/05/1036233205.db2.gz LBWWRAJPUWNWOP-JKSUJKDBSA-N 1 2 329.444 3.680 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563856 1036233211 /nfs/dbraw/zinc/23/32/11/1036233211.db2.gz LBWWRAJPUWNWOP-JKSUJKDBSA-N 1 2 329.444 3.680 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000457537162 1036233766 /nfs/dbraw/zinc/23/37/66/1036233766.db2.gz MNPDLDHVTNJNAD-IBGZPJMESA-N 1 2 342.487 3.612 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(C)c3Br)ccc2[nH+]1 ZINC000535283839 1036279672 /nfs/dbraw/zinc/27/96/72/1036279672.db2.gz MQKJVTXKNGXWFM-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2nccc(C(F)(F)F)n2)C1 ZINC000414257440 1036311637 /nfs/dbraw/zinc/31/16/37/1036311637.db2.gz OQRLGYUMEIAPJV-NSHDSACASA-N 1 2 325.334 3.892 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000535301868 1036315370 /nfs/dbraw/zinc/31/53/70/1036315370.db2.gz GGAFQCJMBHCISA-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000376376501 1036379529 /nfs/dbraw/zinc/37/95/29/1036379529.db2.gz LIMVLWVBLPHHKB-HNNXBMFYSA-N 1 2 340.826 3.920 20 0 EHADLO O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000376376501 1036379549 /nfs/dbraw/zinc/37/95/49/1036379549.db2.gz LIMVLWVBLPHHKB-HNNXBMFYSA-N 1 2 340.826 3.920 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571987 1036379606 /nfs/dbraw/zinc/37/96/06/1036379606.db2.gz UPXQXYHRKTXZGN-BEFAXECRSA-N 1 2 329.444 3.680 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571987 1036379624 /nfs/dbraw/zinc/37/96/24/1036379624.db2.gz UPXQXYHRKTXZGN-BEFAXECRSA-N 1 2 329.444 3.680 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571992 1036379778 /nfs/dbraw/zinc/37/97/78/1036379778.db2.gz UPXQXYHRKTXZGN-KXBFYZLASA-N 1 2 329.444 3.680 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571992 1036379796 /nfs/dbraw/zinc/37/97/96/1036379796.db2.gz UPXQXYHRKTXZGN-KXBFYZLASA-N 1 2 329.444 3.680 20 0 EHADLO COC(=O)CC[C@@H]([NH2+][C@@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925380162 1036387600 /nfs/dbraw/zinc/38/76/00/1036387600.db2.gz RZFYCSKNIWKBJY-HZPDHXFCSA-N 1 2 328.412 3.645 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000191571539 1036415592 /nfs/dbraw/zinc/41/55/92/1036415592.db2.gz PBXSBTQHCGKRGB-GFCCVEGCSA-N 1 2 325.416 3.608 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000493012027 1036519756 /nfs/dbraw/zinc/51/97/56/1036519756.db2.gz CTCZJYPIRGSMHN-WVPUOPKMSA-N 1 2 333.435 3.677 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1cccc(Cl)c1 ZINC000493018790 1036532437 /nfs/dbraw/zinc/53/24/37/1036532437.db2.gz DCRUVVGTCLDBLK-CMDGGOBGSA-N 1 2 329.831 3.545 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572846615 1036534366 /nfs/dbraw/zinc/53/43/66/1036534366.db2.gz AQQWPJHEUSZRJQ-CABCVRRESA-N 1 2 339.443 3.642 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2n[nH]c3ccccc32)cc1OC ZINC000589640656 1036569461 /nfs/dbraw/zinc/56/94/61/1036569461.db2.gz JXDRPUSDGMULGI-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000541700571 1036575993 /nfs/dbraw/zinc/57/59/93/1036575993.db2.gz SDBXAASRJKNNMT-HXUWFJFHSA-N 1 2 341.426 3.732 20 0 EHADLO O=C(CC[N@H+]1CCO[C@H](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000541700571 1036576004 /nfs/dbraw/zinc/57/60/04/1036576004.db2.gz SDBXAASRJKNNMT-HXUWFJFHSA-N 1 2 341.426 3.732 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176383171 1036611501 /nfs/dbraw/zinc/61/15/01/1036611501.db2.gz RQYGQVUFOKRXHK-DOTOQJQBSA-N 1 2 343.471 3.535 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168177143 1036615222 /nfs/dbraw/zinc/61/52/22/1036615222.db2.gz MGEYVAFGPCTPAT-ZIAGYGMSSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168177143 1036615226 /nfs/dbraw/zinc/61/52/26/1036615226.db2.gz MGEYVAFGPCTPAT-ZIAGYGMSSA-N 1 2 333.863 3.691 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000541772927 1036646794 /nfs/dbraw/zinc/64/67/94/1036646794.db2.gz NQBPUPCDGBJWOR-HNQUOIGGSA-N 1 2 334.332 3.548 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000541772927 1036646800 /nfs/dbraw/zinc/64/68/00/1036646800.db2.gz NQBPUPCDGBJWOR-HNQUOIGGSA-N 1 2 334.332 3.548 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000589941805 1036687928 /nfs/dbraw/zinc/68/79/28/1036687928.db2.gz JWIPUFHSINKDBC-INIZCTEOSA-N 1 2 342.508 3.758 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414325013 1036690008 /nfs/dbraw/zinc/69/00/08/1036690008.db2.gz LKOCBIGRKXFJHN-AWEZNQCLSA-N 1 2 327.453 3.952 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000457977846 1036707417 /nfs/dbraw/zinc/70/74/17/1036707417.db2.gz QZCPSUIEMNZDGK-UHFFFAOYSA-N 1 2 332.423 3.635 20 0 EHADLO Cc1ccc(CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000590150580 1036775214 /nfs/dbraw/zinc/77/52/14/1036775214.db2.gz ZXBUJBZMRDPUKN-SFHVURJKSA-N 1 2 340.471 3.548 20 0 EHADLO CCc1ccc([C@@H](C[NH2+]C2CCC(C(=O)[O-])CC2)[NH+](CC)CC)cc1 ZINC000263389812 1036835853 /nfs/dbraw/zinc/83/58/53/1036835853.db2.gz DYUITLHCYRGGQA-SOAGJPPSSA-N 1 2 346.515 3.865 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000590381826 1036860774 /nfs/dbraw/zinc/86/07/74/1036860774.db2.gz JPVLXXVMNOAQMW-NQIIRXRSSA-N 1 2 343.467 3.785 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000590381826 1036860802 /nfs/dbraw/zinc/86/08/02/1036860802.db2.gz JPVLXXVMNOAQMW-NQIIRXRSSA-N 1 2 343.467 3.785 20 0 EHADLO Cc1ccc2nc(C[NH2+]C(C)(C)c3nc4ccccc4n3C)cn2c1 ZINC000186571615 1036862903 /nfs/dbraw/zinc/86/29/03/1036862903.db2.gz PGQKEQKQZYNWTI-UHFFFAOYSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464851710 1036898155 /nfs/dbraw/zinc/89/81/55/1036898155.db2.gz QLRTVPNISNYCGN-DZGCQCFKSA-N 1 2 332.469 3.739 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464851710 1036898175 /nfs/dbraw/zinc/89/81/75/1036898175.db2.gz QLRTVPNISNYCGN-DZGCQCFKSA-N 1 2 332.469 3.739 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2N(C)C)n1 ZINC000162448086 1036905733 /nfs/dbraw/zinc/90/57/33/1036905733.db2.gz JDPNYVGSSXMCLF-KRWDZBQOSA-N 1 2 339.443 3.528 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3)s2)c2ccccc2C1 ZINC000103410847 1036906799 /nfs/dbraw/zinc/90/67/99/1036906799.db2.gz MXOKJJOLEPYQLV-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3)s2)c2ccccc2C1 ZINC000103410847 1036906813 /nfs/dbraw/zinc/90/68/13/1036906813.db2.gz MXOKJJOLEPYQLV-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO CC(C)n1ccc(C[NH2+]Cc2cccc(Br)c2F)n1 ZINC000572947783 1036923852 /nfs/dbraw/zinc/92/38/52/1036923852.db2.gz GBZAHYDHHWGANI-UHFFFAOYSA-N 1 2 326.213 3.655 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177760441 1036928274 /nfs/dbraw/zinc/92/82/74/1036928274.db2.gz JXIDTUYZSRUXML-WMZOPIPTSA-N 1 2 348.450 3.730 20 0 EHADLO CCc1ncc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000414357313 1036937834 /nfs/dbraw/zinc/93/78/34/1036937834.db2.gz CFSWXHAWMUDMPJ-UHFFFAOYSA-N 1 2 333.439 3.851 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2[nH]ccc2c1 ZINC000103585099 1036947976 /nfs/dbraw/zinc/94/79/76/1036947976.db2.gz UNWDIHWINMIPBL-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000541983072 1036948228 /nfs/dbraw/zinc/94/82/28/1036948228.db2.gz IPBFAXNYZLBMPD-INIZCTEOSA-N 1 2 338.220 3.720 20 0 EHADLO Cc1cnc([C@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000177891673 1036960815 /nfs/dbraw/zinc/96/08/15/1036960815.db2.gz RGAWEYQKRMINCW-GPAKFWEMSA-N 1 2 338.436 3.528 20 0 EHADLO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](CO)c1ccccc1 ZINC000590622554 1036974962 /nfs/dbraw/zinc/97/49/62/1036974962.db2.gz NHIWJVNJFSTMEV-KRWDZBQOSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](CO)c1ccccc1 ZINC000590622554 1036974978 /nfs/dbraw/zinc/97/49/78/1036974978.db2.gz NHIWJVNJFSTMEV-KRWDZBQOSA-N 1 2 326.371 3.646 20 0 EHADLO c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[nH+]cc1N1CCCCC1 ZINC000539626772 1037002446 /nfs/dbraw/zinc/00/24/46/1037002446.db2.gz VPGCTPJEVUCQQZ-QXAKKESOSA-N 1 2 327.472 3.832 20 0 EHADLO CCCC[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000590688903 1037006520 /nfs/dbraw/zinc/00/65/20/1037006520.db2.gz GNQKAHSSDMLVGO-SFHVURJKSA-N 1 2 329.444 3.720 20 0 EHADLO CC(C)(C)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414368391 1037037131 /nfs/dbraw/zinc/03/71/31/1037037131.db2.gz SFNADXGXPFKSHM-UHFFFAOYSA-N 1 2 337.510 3.952 20 0 EHADLO CC(C)(C)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414368391 1037037144 /nfs/dbraw/zinc/03/71/44/1037037144.db2.gz SFNADXGXPFKSHM-UHFFFAOYSA-N 1 2 337.510 3.952 20 0 EHADLO CCCc1sc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1CC ZINC000590735227 1037037567 /nfs/dbraw/zinc/03/75/67/1037037567.db2.gz QCSJNNHRZSMFGH-HNNXBMFYSA-N 1 2 331.485 3.937 20 0 EHADLO CC12CC(C1)CN2C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666454701 1037068440 /nfs/dbraw/zinc/06/84/40/1037068440.db2.gz NIMAWXZWNKXVBL-UHFFFAOYSA-N 1 2 334.423 3.618 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000636436838 1037082577 /nfs/dbraw/zinc/08/25/77/1037082577.db2.gz SPKUQANINFPPBY-LBPRGKRZSA-N 1 2 337.345 3.720 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590853689 1037101381 /nfs/dbraw/zinc/10/13/81/1037101381.db2.gz CUZTVOPZGBNOON-IBGZPJMESA-N 1 2 348.450 3.626 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000542143200 1037102741 /nfs/dbraw/zinc/10/27/41/1037102741.db2.gz PGEREJVTCBPJEW-VQIMIIECSA-N 1 2 348.450 3.812 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC ZINC000666471881 1037103005 /nfs/dbraw/zinc/10/30/05/1037103005.db2.gz SQGNCASYUBVPMG-GFCCVEGCSA-N 1 2 347.484 3.891 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590871095 1037108797 /nfs/dbraw/zinc/10/87/97/1037108797.db2.gz NEDXWDAJPNEXDI-OALUTQOASA-N 1 2 340.471 3.641 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)(C)c1ccccc1 ZINC000590871222 1037109326 /nfs/dbraw/zinc/10/93/26/1037109326.db2.gz XQPLHOWDWWAUFK-WMZOPIPTSA-N 1 2 340.471 3.596 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2csc(CC(=O)N(C)C)n2)c1 ZINC000104948921 1037131399 /nfs/dbraw/zinc/13/13/99/1037131399.db2.gz JVAQYTQYAJCGGI-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2csc(CC(=O)N(C)C)n2)c1 ZINC000104948921 1037131409 /nfs/dbraw/zinc/13/14/09/1037131409.db2.gz JVAQYTQYAJCGGI-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105067751 1037145697 /nfs/dbraw/zinc/14/56/97/1037145697.db2.gz IFGHCMYBLIPWOP-MRXNPFEDSA-N 1 2 326.444 3.643 20 0 EHADLO c1cn(CCSc2nnc(-c3ccccc3)n2-c2ccccc2)c[nH+]1 ZINC000179029367 1037156695 /nfs/dbraw/zinc/15/66/95/1037156695.db2.gz BRXMKKIURBDLMR-UHFFFAOYSA-N 1 2 347.447 3.923 20 0 EHADLO COc1ccc(C2(C[NH2+][C@H](c3nnc[nH]3)c3ccccc3)CCC2)cc1 ZINC000343833438 1037207151 /nfs/dbraw/zinc/20/71/51/1037207151.db2.gz OLQDYWTYKTVAJA-IBGZPJMESA-N 1 2 348.450 3.614 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000539825597 1037228646 /nfs/dbraw/zinc/22/86/46/1037228646.db2.gz QWUGYMMJMYEDRR-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(Oc2ccccc2)cc1 ZINC000462658676 1037228795 /nfs/dbraw/zinc/22/87/95/1037228795.db2.gz PILJUCRTOFVNSW-SUMWQHHRSA-N 1 2 346.377 3.653 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(C)C ZINC000591107733 1037238601 /nfs/dbraw/zinc/23/86/01/1037238601.db2.gz LMWBWPZUOMGWII-GOSISDBHSA-N 1 2 346.515 3.720 20 0 EHADLO Cn1cc(CNc2ccc(N3CCCCC3)c[nH+]2)c(C(C)(C)C)n1 ZINC000093948502 1037243833 /nfs/dbraw/zinc/24/38/33/1037243833.db2.gz RMFLTNQFXFOZJO-UHFFFAOYSA-N 1 2 327.476 3.715 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)CCO1 ZINC000539827744 1037250120 /nfs/dbraw/zinc/25/01/20/1037250120.db2.gz WFSRHVGRVLOABO-CQSZACIVSA-N 1 2 329.387 3.688 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)CCO1 ZINC000539827744 1037250132 /nfs/dbraw/zinc/25/01/32/1037250132.db2.gz WFSRHVGRVLOABO-CQSZACIVSA-N 1 2 329.387 3.688 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000462698776 1037292373 /nfs/dbraw/zinc/29/23/73/1037292373.db2.gz KPZNFFXENXFOEN-LLVKDONJSA-N 1 2 325.840 3.819 20 0 EHADLO C[C@@H](CCNC(=O)/C=C/c1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000493446638 1037348218 /nfs/dbraw/zinc/34/82/18/1037348218.db2.gz CVPHSUJTASSVRA-FYJFLYSWSA-N 1 2 337.345 3.752 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000044584011 1037360064 /nfs/dbraw/zinc/36/00/64/1037360064.db2.gz ZSGVEWGEEGHOHX-JEJOPICUSA-N 1 2 340.471 3.585 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2nc(-c3cc(C)ccn3)no2)c1 ZINC000591388365 1037367004 /nfs/dbraw/zinc/36/70/04/1037367004.db2.gz SPRWAYQOWWSVES-UHFFFAOYSA-N 1 2 342.424 3.585 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000088485263 1037376065 /nfs/dbraw/zinc/37/60/65/1037376065.db2.gz UOWXRRSJGMHTIF-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000088485263 1037376081 /nfs/dbraw/zinc/37/60/81/1037376081.db2.gz UOWXRRSJGMHTIF-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO CCSCC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301463223 1037382963 /nfs/dbraw/zinc/38/29/63/1037382963.db2.gz VNRRAILSDOOVLN-CYBMUJFWSA-N 1 2 327.457 3.759 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000177189216 1037411651 /nfs/dbraw/zinc/41/16/51/1037411651.db2.gz FZNPRNUCQAEVTH-DLBZAZTESA-N 1 2 343.496 3.715 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000177189216 1037411665 /nfs/dbraw/zinc/41/16/65/1037411665.db2.gz FZNPRNUCQAEVTH-DLBZAZTESA-N 1 2 343.496 3.715 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1 ZINC000646118518 1037415964 /nfs/dbraw/zinc/41/59/64/1037415964.db2.gz LPDBYUHTGWCVFE-PBHICJAKSA-N 1 2 325.412 3.670 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1 ZINC000646118518 1037415972 /nfs/dbraw/zinc/41/59/72/1037415972.db2.gz LPDBYUHTGWCVFE-PBHICJAKSA-N 1 2 325.412 3.670 20 0 EHADLO Cc1cc(C)cc(/C=C/C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000493545794 1037465435 /nfs/dbraw/zinc/46/54/35/1037465435.db2.gz CXRROFUUGVGMEV-GQCTYLIASA-N 1 2 332.407 3.595 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000491419921 1037465488 /nfs/dbraw/zinc/46/54/88/1037465488.db2.gz AAAXWIHXYKIAKE-SJKOYZFVSA-N 1 2 334.822 3.683 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000151728029 1037480085 /nfs/dbraw/zinc/48/00/85/1037480085.db2.gz HHNSBUAARWFNMG-UHFFFAOYSA-N 1 2 345.251 3.745 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000462872838 1037500447 /nfs/dbraw/zinc/50/04/47/1037500447.db2.gz GKQCZGLHVNHPKL-YLJYHZDGSA-N 1 2 338.455 3.618 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000462872838 1037500462 /nfs/dbraw/zinc/50/04/62/1037500462.db2.gz GKQCZGLHVNHPKL-YLJYHZDGSA-N 1 2 338.455 3.618 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000760844525 1037523261 /nfs/dbraw/zinc/52/32/61/1037523261.db2.gz UTZWFQQTYSTMKY-UKRRQHHQSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000760844525 1037523273 /nfs/dbraw/zinc/52/32/73/1037523273.db2.gz UTZWFQQTYSTMKY-UKRRQHHQSA-N 1 2 349.475 3.677 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000493651591 1037533601 /nfs/dbraw/zinc/53/36/01/1037533601.db2.gz WEVNGEJZXLIPQI-CMDGGOBGSA-N 1 2 327.403 3.576 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863966 1037575790 /nfs/dbraw/zinc/57/57/90/1037575790.db2.gz LUTPSRHAMAGGPY-CVEARBPZSA-N 1 2 329.831 3.504 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000101864148 1037576340 /nfs/dbraw/zinc/57/63/40/1037576340.db2.gz BZTOXNMGXRTAQG-SNAWJCMRSA-N 1 2 329.831 3.722 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000493717231 1037576899 /nfs/dbraw/zinc/57/68/99/1037576899.db2.gz FOBLAGAUFUXBMA-RBBNACOLSA-N 1 2 333.435 3.533 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]CC1CCC(C(C)C)CC1 ZINC000573486812 1037582895 /nfs/dbraw/zinc/58/28/95/1037582895.db2.gz RUYOUTYEJGIWDB-FAFZWHIHSA-N 1 2 332.488 3.608 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000103191600 1037589823 /nfs/dbraw/zinc/58/98/23/1037589823.db2.gz QDIFLVOTXKZZMI-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711825 1037656072 /nfs/dbraw/zinc/65/60/72/1037656072.db2.gz JAVIJAQMPSAZTI-CYBMUJFWSA-N 1 2 339.361 3.645 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576416 1037682117 /nfs/dbraw/zinc/68/21/17/1037682117.db2.gz DVGGUOPLLTYVCL-CJNGLKHVSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@@H]1CCCC[N@H+]([C@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576416 1037682130 /nfs/dbraw/zinc/68/21/30/1037682130.db2.gz DVGGUOPLLTYVCL-CJNGLKHVSA-N 1 2 325.449 3.647 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000913741569 1037708912 /nfs/dbraw/zinc/70/89/12/1037708912.db2.gz UWHKSLLYICKAAA-HNNXBMFYSA-N 1 2 348.443 3.812 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000913741569 1037708925 /nfs/dbraw/zinc/70/89/25/1037708925.db2.gz UWHKSLLYICKAAA-HNNXBMFYSA-N 1 2 348.443 3.812 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCn1cc[nH+]c1 ZINC000491874808 1037730238 /nfs/dbraw/zinc/73/02/38/1037730238.db2.gz WJGGFDDRBYORJV-VMPITWQZSA-N 1 2 337.345 3.512 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000029951596 1037738616 /nfs/dbraw/zinc/73/86/16/1037738616.db2.gz VBDDNKUOCMRIRQ-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2c(F)cccc2OC)c1 ZINC000182116468 1037758842 /nfs/dbraw/zinc/75/88/42/1037758842.db2.gz IYOUFNNOSIBDLM-NSHDSACASA-N 1 2 335.350 3.611 20 0 EHADLO Clc1ccc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000573782790 1037765554 /nfs/dbraw/zinc/76/55/54/1037765554.db2.gz AAPOMFIMDYNVGQ-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(N(C)C)[nH+]1 ZINC000152867520 1037780632 /nfs/dbraw/zinc/78/06/32/1037780632.db2.gz KAHIZTZSYNNUJX-UHFFFAOYSA-N 1 2 341.308 3.866 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000494090059 1037815274 /nfs/dbraw/zinc/81/52/74/1037815274.db2.gz PLFAKQQGDHCFFD-ZDUSSCGKSA-N 1 2 347.509 3.576 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000494090059 1037815285 /nfs/dbraw/zinc/81/52/85/1037815285.db2.gz PLFAKQQGDHCFFD-ZDUSSCGKSA-N 1 2 347.509 3.576 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378077162 1037825949 /nfs/dbraw/zinc/82/59/49/1037825949.db2.gz MPPCFWBREVTBDG-SFHVURJKSA-N 1 2 325.456 3.631 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378077162 1037825963 /nfs/dbraw/zinc/82/59/63/1037825963.db2.gz MPPCFWBREVTBDG-SFHVURJKSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccsc1 ZINC000128402438 1037834020 /nfs/dbraw/zinc/83/40/20/1037834020.db2.gz JBUCQFHGXUGZFW-SNVBAGLBSA-N 1 2 326.824 4.000 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccsc1 ZINC000128402438 1037834040 /nfs/dbraw/zinc/83/40/40/1037834040.db2.gz JBUCQFHGXUGZFW-SNVBAGLBSA-N 1 2 326.824 4.000 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000592157039 1037834298 /nfs/dbraw/zinc/83/42/98/1037834298.db2.gz JIDNZWVRFUBDTP-UHFFFAOYSA-N 1 2 348.418 3.911 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(c2ccccc2)CC1 ZINC000117592405 1037854140 /nfs/dbraw/zinc/85/41/40/1037854140.db2.gz BABYPUZAGBVODA-UHFFFAOYSA-N 1 2 331.419 3.892 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000666647340 1037914997 /nfs/dbraw/zinc/91/49/97/1037914997.db2.gz HPRTXTDPHOCOMC-INMHGKMJSA-N 1 2 330.472 3.671 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183189654 1037936308 /nfs/dbraw/zinc/93/63/08/1037936308.db2.gz DBFBQBNJPPVJQY-NXOAAHMSSA-N 1 2 332.488 3.917 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183189654 1037936320 /nfs/dbraw/zinc/93/63/20/1037936320.db2.gz DBFBQBNJPPVJQY-NXOAAHMSSA-N 1 2 332.488 3.917 20 0 EHADLO CC[C@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)C(=O)OC(C)(C)C ZINC000592400181 1037942741 /nfs/dbraw/zinc/94/27/41/1037942741.db2.gz OIQHWUCUUASXFJ-HIFRSBDPSA-N 1 2 331.460 3.594 20 0 EHADLO CCS(=O)(=O)c1ccc(CSCCc2[nH+]cc(C)cc2C)cc1 ZINC000592455766 1037987559 /nfs/dbraw/zinc/98/75/59/1037987559.db2.gz QCCRHYWXTTZZRE-UHFFFAOYSA-N 1 2 349.521 3.968 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000540561027 1038097039 /nfs/dbraw/zinc/09/70/39/1038097039.db2.gz NWQSSVZCRCMMIM-UHFFFAOYSA-N 1 2 347.422 3.502 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2c(C)nn(C)c2Cl)c1C ZINC000180384883 1038158768 /nfs/dbraw/zinc/15/87/68/1038158768.db2.gz XFIIXBMWECSKTN-UHFFFAOYSA-N 1 2 325.865 3.836 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000106859690 1038231603 /nfs/dbraw/zinc/23/16/03/1038231603.db2.gz GBIUTYMFWGKLQG-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000106859690 1038231618 /nfs/dbraw/zinc/23/16/18/1038231618.db2.gz GBIUTYMFWGKLQG-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124769705 1038231951 /nfs/dbraw/zinc/23/19/51/1038231951.db2.gz INRYQPKXSPTWTJ-LZLYRXPVSA-N 1 2 343.496 3.782 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000106875266 1038238877 /nfs/dbraw/zinc/23/88/77/1038238877.db2.gz KIPCHEYGMMAKMA-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000106875266 1038238890 /nfs/dbraw/zinc/23/88/90/1038238890.db2.gz KIPCHEYGMMAKMA-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@H](C)C3)cn2c1 ZINC000042740355 1038250768 /nfs/dbraw/zinc/25/07/68/1038250768.db2.gz GUQURSMYFQBZTQ-ZFWWWQNUSA-N 1 2 331.485 3.571 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124924504 1038254693 /nfs/dbraw/zinc/25/46/93/1038254693.db2.gz FFDFOCSCQPXLDQ-SFHVURJKSA-N 1 2 344.503 3.661 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000416177955 1038275853 /nfs/dbraw/zinc/27/58/53/1038275853.db2.gz MSQXVNHBJRKTSE-IAQYHMDHSA-N 1 2 333.794 3.585 20 0 EHADLO CSc1ccsc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000107206336 1038292634 /nfs/dbraw/zinc/29/26/34/1038292634.db2.gz YOLYBRRYADZULE-UHFFFAOYSA-N 1 2 346.521 3.736 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043319163 1038306129 /nfs/dbraw/zinc/30/61/29/1038306129.db2.gz OIQMMLPKNXFMLZ-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2nn(CC)nc2C)cc1OC ZINC000924667730 1038396602 /nfs/dbraw/zinc/39/66/02/1038396602.db2.gz AMFQUDFMQRKYPU-AWEZNQCLSA-N 1 2 346.475 3.645 20 0 EHADLO O=C(CCc1nc2ccccc2o1)Nc1ccccc1-n1cc[nH+]c1 ZINC000339131385 1038407319 /nfs/dbraw/zinc/40/73/19/1038407319.db2.gz HRXAMVXVTHRGLS-UHFFFAOYSA-N 1 2 332.363 3.585 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC(C)(C)C1 ZINC000538665906 1038460478 /nfs/dbraw/zinc/46/04/78/1038460478.db2.gz NOXJULLBMBBLAW-CQSZACIVSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538727966 1038495743 /nfs/dbraw/zinc/49/57/43/1038495743.db2.gz LOKWDYPAJKSPIW-MNOVXSKESA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538727966 1038495745 /nfs/dbraw/zinc/49/57/45/1038495745.db2.gz LOKWDYPAJKSPIW-MNOVXSKESA-N 1 2 328.239 3.878 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)s1 ZINC000538730399 1038497852 /nfs/dbraw/zinc/49/78/52/1038497852.db2.gz IEPQJBZXUAAYRN-LJQANCHMSA-N 1 2 345.512 3.737 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)s1 ZINC000538730399 1038497857 /nfs/dbraw/zinc/49/78/57/1038497857.db2.gz IEPQJBZXUAAYRN-LJQANCHMSA-N 1 2 345.512 3.737 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C)c[nH+]1 ZINC000378353845 1038503389 /nfs/dbraw/zinc/50/33/89/1038503389.db2.gz HECCMEDIDHHRLR-SGTLLEGYSA-N 1 2 327.403 3.874 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(F)c(Cl)c1F ZINC000181954769 1038515468 /nfs/dbraw/zinc/51/54/68/1038515468.db2.gz SJMSFHIBWJXRNE-UHFFFAOYSA-N 1 2 339.773 3.635 20 0 EHADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292181 1038537739 /nfs/dbraw/zinc/53/77/39/1038537739.db2.gz OQYOHYKNLCTXNB-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000628292181 1038537746 /nfs/dbraw/zinc/53/77/46/1038537746.db2.gz OQYOHYKNLCTXNB-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)C)c2ccc(F)cc2Cl)cc1 ZINC000108352021 1038538891 /nfs/dbraw/zinc/53/88/91/1038538891.db2.gz LTABEMOFRLJCMN-GOSISDBHSA-N 1 2 334.822 3.555 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)CC[C@H]1c1ccccc1 ZINC000538953154 1038611382 /nfs/dbraw/zinc/61/13/82/1038611382.db2.gz IKWMNMBYLDIGRJ-FXAWDEMLSA-N 1 2 332.451 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)CC[C@H]1c1ccccc1 ZINC000538953154 1038611389 /nfs/dbraw/zinc/61/13/89/1038611389.db2.gz IKWMNMBYLDIGRJ-FXAWDEMLSA-N 1 2 332.451 3.893 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956958 1038614901 /nfs/dbraw/zinc/61/49/01/1038614901.db2.gz FJGLAJCDMNHQCZ-QWHCGFSZSA-N 1 2 339.277 3.959 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956958 1038614904 /nfs/dbraw/zinc/61/49/04/1038614904.db2.gz FJGLAJCDMNHQCZ-QWHCGFSZSA-N 1 2 339.277 3.959 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(C4CC4)n(C)c3=S)C2)c1 ZINC000182796919 1038637804 /nfs/dbraw/zinc/63/78/04/1038637804.db2.gz ZIDUCZOQCFZQJQ-MRXNPFEDSA-N 1 2 342.512 3.892 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(C4CC4)n(C)c3=S)C2)c1 ZINC000182796919 1038637807 /nfs/dbraw/zinc/63/78/07/1038637807.db2.gz ZIDUCZOQCFZQJQ-MRXNPFEDSA-N 1 2 342.512 3.892 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCc1cccc(Cl)c1 ZINC000485240915 1038790679 /nfs/dbraw/zinc/79/06/79/1038790679.db2.gz WLAHSUDGDYEVQC-UHFFFAOYSA-N 1 2 334.813 3.841 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCc1cccc(Cl)c1 ZINC000485240915 1038790695 /nfs/dbraw/zinc/79/06/95/1038790695.db2.gz WLAHSUDGDYEVQC-UHFFFAOYSA-N 1 2 334.813 3.841 20 0 EHADLO C[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCO1 ZINC000905312999 1038792241 /nfs/dbraw/zinc/79/22/41/1038792241.db2.gz KHPFVOBEWUDDGZ-KBXCAEBGSA-N 1 2 340.423 3.607 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](COC)c2cccc(Cl)c2F)c1C ZINC000554072807 1038855360 /nfs/dbraw/zinc/85/53/60/1038855360.db2.gz UCLDTQUTBNOLKW-MRXNPFEDSA-N 1 2 339.842 3.790 20 0 EHADLO Cc1nc(Cl)ccc1Cc1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000924247496 1038888205 /nfs/dbraw/zinc/88/82/05/1038888205.db2.gz XOGCFPKXZODWLH-QGZVFWFLSA-N 1 2 342.830 3.668 20 0 EHADLO CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000416681773 1038894892 /nfs/dbraw/zinc/89/48/92/1038894892.db2.gz KJGJFUBUCLPSHB-ROUUACIJSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cnc1Br ZINC001141123614 1038905577 /nfs/dbraw/zinc/90/55/77/1038905577.db2.gz ITOJDKPFLXQLBT-LLVKDONJSA-N 1 2 348.082 3.981 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cc1cc(Br)cnc1Br ZINC001141123614 1038905588 /nfs/dbraw/zinc/90/55/88/1038905588.db2.gz ITOJDKPFLXQLBT-LLVKDONJSA-N 1 2 348.082 3.981 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001143505767 1038927899 /nfs/dbraw/zinc/92/78/99/1038927899.db2.gz MXBHLRLZMTZRFX-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001143505767 1038927915 /nfs/dbraw/zinc/92/79/15/1038927915.db2.gz MXBHLRLZMTZRFX-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO COCC1=CC[N@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000185047421 1038995361 /nfs/dbraw/zinc/99/53/61/1038995361.db2.gz XVAMYPNHCRWGJM-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO COCC1=CC[N@@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000185047421 1038995372 /nfs/dbraw/zinc/99/53/72/1038995372.db2.gz XVAMYPNHCRWGJM-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432751691 1039030368 /nfs/dbraw/zinc/03/03/68/1039030368.db2.gz ZRUPWUNMKLPTIT-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432751691 1039030385 /nfs/dbraw/zinc/03/03/85/1039030385.db2.gz ZRUPWUNMKLPTIT-AWEZNQCLSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432751692 1039030837 /nfs/dbraw/zinc/03/08/37/1039030837.db2.gz ZRUPWUNMKLPTIT-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432751692 1039030856 /nfs/dbraw/zinc/03/08/56/1039030856.db2.gz ZRUPWUNMKLPTIT-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO Clc1scc(CN2CC[NH+](Cc3ccco3)CC2)c1Cl ZINC000432751939 1039030936 /nfs/dbraw/zinc/03/09/36/1039030936.db2.gz GLRHOYIRUWQOTL-UHFFFAOYSA-N 1 2 331.268 3.966 20 0 EHADLO COCCOC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432751302 1039031093 /nfs/dbraw/zinc/03/10/93/1039031093.db2.gz UTVLDNMNOMESEX-UHFFFAOYSA-N 1 2 336.234 3.760 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000554214867 1039066012 /nfs/dbraw/zinc/06/60/12/1039066012.db2.gz UPNAEIJOZRSGFV-AWEZNQCLSA-N 1 2 340.402 3.626 20 0 EHADLO COc1cc(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)ccc1C ZINC000477989264 1039101806 /nfs/dbraw/zinc/10/18/06/1039101806.db2.gz LYAXKZMPDBDDGO-UHFFFAOYSA-N 1 2 335.407 3.883 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571062487 1039122785 /nfs/dbraw/zinc/12/27/85/1039122785.db2.gz VWXLUGHBNTVOBT-NVXWUHKLSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)CC1CCCCC1 ZINC000155696781 1039164338 /nfs/dbraw/zinc/16/43/38/1039164338.db2.gz UUAOCPVCQZZGFX-HNNXBMFYSA-N 1 2 345.487 3.772 20 0 EHADLO C[N@H+](Cc1nc(C2CC2)no1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304161 1039198167 /nfs/dbraw/zinc/19/81/67/1039198167.db2.gz QIWPKDDLSFNJPA-JKSUJKDBSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304161 1039198179 /nfs/dbraw/zinc/19/81/79/1039198179.db2.gz QIWPKDDLSFNJPA-JKSUJKDBSA-N 1 2 327.428 3.625 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+](C)[C@H]3CCN(C)C3=O)s2)cc1 ZINC000511588724 1039220361 /nfs/dbraw/zinc/22/03/61/1039220361.db2.gz QQSHUYFGZQFGRW-KRWDZBQOSA-N 1 2 343.496 3.596 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)[C@H]3CCN(C)C3=O)s2)cc1 ZINC000511588724 1039220374 /nfs/dbraw/zinc/22/03/74/1039220374.db2.gz QQSHUYFGZQFGRW-KRWDZBQOSA-N 1 2 343.496 3.596 20 0 EHADLO Cc1ncsc1-c1ccc(C[NH+]2CCN(C3CCC3)CC2)cc1 ZINC000667632886 1039261449 /nfs/dbraw/zinc/26/14/49/1039261449.db2.gz KOWCZKJGAZWOGT-UHFFFAOYSA-N 1 2 327.497 3.789 20 0 EHADLO COc1ccncc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000644891165 1039281723 /nfs/dbraw/zinc/28/17/23/1039281723.db2.gz GKEIFJUPNWMCIR-UHFFFAOYSA-N 1 2 328.746 3.635 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@@H](C)c4cccnc4)CC3)[nH]c2c1 ZINC000667637561 1039297995 /nfs/dbraw/zinc/29/79/95/1039297995.db2.gz XSUORCQIGCWJQC-KRWDZBQOSA-N 1 2 334.467 3.750 20 0 EHADLO CCC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1nnc2ccccn21 ZINC000480230476 1039313604 /nfs/dbraw/zinc/31/36/04/1039313604.db2.gz QYPMYZWOEUNQNS-SWLSCSKDSA-N 1 2 329.835 3.970 20 0 EHADLO c1[nH+]c2n(c1CN1CCc3nc(-c4ccccc4)sc3C1)CCC2 ZINC000668521995 1039330175 /nfs/dbraw/zinc/33/01/75/1039330175.db2.gz KROIDAIQZPAIQD-UHFFFAOYSA-N 1 2 336.464 3.511 20 0 EHADLO C[C@H]1CO[C@@H](c2noc([C@@]3(C)C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000923963064 1039331151 /nfs/dbraw/zinc/33/11/51/1039331151.db2.gz AXKQMDIOTQWIPO-VPWXQRGCSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@H]1CO[C@@H](c2noc([C@@]3(C)C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000923963064 1039331169 /nfs/dbraw/zinc/33/11/69/1039331169.db2.gz AXKQMDIOTQWIPO-VPWXQRGCSA-N 1 2 339.439 3.639 20 0 EHADLO CC(C)[C@@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000488676501 1039338540 /nfs/dbraw/zinc/33/85/40/1039338540.db2.gz OXVPJCHOCQCBMO-QGZVFWFLSA-N 1 2 331.847 3.703 20 0 EHADLO c1c(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nnn1C1CC1 ZINC000906255212 1039413695 /nfs/dbraw/zinc/41/36/95/1039413695.db2.gz KTKBXGZBPMXFNI-NRFANRHFSA-N 1 2 330.435 3.761 20 0 EHADLO c1c(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nnn1C1CC1 ZINC000906255212 1039413700 /nfs/dbraw/zinc/41/37/00/1039413700.db2.gz KTKBXGZBPMXFNI-NRFANRHFSA-N 1 2 330.435 3.761 20 0 EHADLO CC[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687094 1039424630 /nfs/dbraw/zinc/42/46/30/1039424630.db2.gz BFTHGWJWQDIUFK-XVSDVWIESA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687094 1039424644 /nfs/dbraw/zinc/42/46/44/1039424644.db2.gz BFTHGWJWQDIUFK-XVSDVWIESA-N 1 2 338.442 3.899 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000485686637 1039425045 /nfs/dbraw/zinc/42/50/45/1039425045.db2.gz KFWIFQCHJRHRSE-GOSISDBHSA-N 1 2 347.455 3.574 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC2(C1)CCCCC2 ZINC000485686637 1039425059 /nfs/dbraw/zinc/42/50/59/1039425059.db2.gz KFWIFQCHJRHRSE-GOSISDBHSA-N 1 2 347.455 3.574 20 0 EHADLO c1ccc2c(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nsc2c1 ZINC000660155494 1039428220 /nfs/dbraw/zinc/42/82/20/1039428220.db2.gz OLOMPTITCITCPP-CYBMUJFWSA-N 1 2 339.468 3.671 20 0 EHADLO c1ccc2c(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nsc2c1 ZINC000660155494 1039428230 /nfs/dbraw/zinc/42/82/30/1039428230.db2.gz OLOMPTITCITCPP-CYBMUJFWSA-N 1 2 339.468 3.671 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000478413410 1039428522 /nfs/dbraw/zinc/42/85/22/1039428522.db2.gz BZJHGNNQVYIPRM-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO CCCC(C)(C)[N@@H+](Cc1cn(CCC(C)=O)nn1)Cc1cccs1 ZINC000906300555 1039459782 /nfs/dbraw/zinc/45/97/82/1039459782.db2.gz OOYJOHZMTMSLQY-UHFFFAOYSA-N 1 2 348.516 3.900 20 0 EHADLO CCCC(C)(C)[N@H+](Cc1cn(CCC(C)=O)nn1)Cc1cccs1 ZINC000906300555 1039459788 /nfs/dbraw/zinc/45/97/88/1039459788.db2.gz OOYJOHZMTMSLQY-UHFFFAOYSA-N 1 2 348.516 3.900 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543511 1039461965 /nfs/dbraw/zinc/46/19/65/1039461965.db2.gz HAYCLOOKXMLRSB-OIISXLGYSA-N 1 2 339.443 3.511 20 0 EHADLO FC(F)(F)Cn1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cn1 ZINC000326640215 1039482806 /nfs/dbraw/zinc/48/28/06/1039482806.db2.gz VZEIRENJJRCKJU-MRXNPFEDSA-N 1 2 335.329 3.918 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582498 1039507065 /nfs/dbraw/zinc/50/70/65/1039507065.db2.gz DMLNUICIZHLZFI-VLIAUNLRSA-N 1 2 337.398 3.705 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582498 1039507084 /nfs/dbraw/zinc/50/70/84/1039507084.db2.gz DMLNUICIZHLZFI-VLIAUNLRSA-N 1 2 337.398 3.705 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000651424878 1039515710 /nfs/dbraw/zinc/51/57/10/1039515710.db2.gz GFDQGWYWINDWTL-BZNIZROVSA-N 1 2 334.261 3.596 20 0 EHADLO CCc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500857494 1039590189 /nfs/dbraw/zinc/59/01/89/1039590189.db2.gz HHMHVJOYGRLHMF-LJQANCHMSA-N 1 2 349.434 3.873 20 0 EHADLO CCc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500857494 1039590206 /nfs/dbraw/zinc/59/02/06/1039590206.db2.gz HHMHVJOYGRLHMF-LJQANCHMSA-N 1 2 349.434 3.873 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000489096144 1039608082 /nfs/dbraw/zinc/60/80/82/1039608082.db2.gz BWCHIKFYSMKYAW-PHWHVTFISA-N 1 2 337.467 3.963 20 0 EHADLO CC(C)(CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)n1cc[nH+]c1 ZINC000898894314 1039684069 /nfs/dbraw/zinc/68/40/69/1039684069.db2.gz XWPMOGWFOPEBCZ-LGMBCPCJSA-N 1 2 329.488 3.731 20 0 EHADLO COc1ccc2sc(C(=O)NCC(C)(C)n3cc[nH+]c3)c(C)c2c1 ZINC000898903624 1039690805 /nfs/dbraw/zinc/69/08/05/1039690805.db2.gz FKIBEVHIDHHWMY-UHFFFAOYSA-N 1 2 343.452 3.580 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898909449 1039698343 /nfs/dbraw/zinc/69/83/43/1039698343.db2.gz PJNVVPZVRCFLLE-UHFFFAOYSA-N 1 2 331.416 3.710 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2nc(Cl)sc2c1 ZINC000912128392 1039705089 /nfs/dbraw/zinc/70/50/89/1039705089.db2.gz KNXMKPQGMWRSAD-UHFFFAOYSA-N 1 2 346.843 3.664 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143536731 1039706173 /nfs/dbraw/zinc/70/61/73/1039706173.db2.gz GNERTHAUNMEJLL-AWEZNQCLSA-N 1 2 329.297 3.691 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143536731 1039706193 /nfs/dbraw/zinc/70/61/93/1039706193.db2.gz GNERTHAUNMEJLL-AWEZNQCLSA-N 1 2 329.297 3.691 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000660199152 1039716142 /nfs/dbraw/zinc/71/61/42/1039716142.db2.gz CRFPSKOBWKENAQ-NWDGAFQWSA-N 1 2 332.423 3.707 20 0 EHADLO CC1(C)C[NH+](CC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000553051772 1039733766 /nfs/dbraw/zinc/73/37/66/1039733766.db2.gz AQANBPQZMIUGQZ-KRWDZBQOSA-N 1 2 348.899 3.949 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007919063 1039749272 /nfs/dbraw/zinc/74/92/72/1039749272.db2.gz VEWOETRZHDESOI-UHFFFAOYSA-N 1 2 340.467 3.999 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007919063 1039749275 /nfs/dbraw/zinc/74/92/75/1039749275.db2.gz VEWOETRZHDESOI-UHFFFAOYSA-N 1 2 340.467 3.999 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1Cl ZINC000660209734 1039785264 /nfs/dbraw/zinc/78/52/64/1039785264.db2.gz XQJHIOXORPUBLO-KRWDZBQOSA-N 1 2 344.846 3.878 20 0 EHADLO CCc1cc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)nc(CC)[nH+]1 ZINC000893896465 1039813918 /nfs/dbraw/zinc/81/39/18/1039813918.db2.gz YIWPCUYAFPWLOY-HNNXBMFYSA-N 1 2 341.459 3.984 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000554839506 1039817505 /nfs/dbraw/zinc/81/75/05/1039817505.db2.gz PHELNSSVKSXCKG-CQSZACIVSA-N 1 2 330.453 3.698 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000554839506 1039817525 /nfs/dbraw/zinc/81/75/25/1039817525.db2.gz PHELNSSVKSXCKG-CQSZACIVSA-N 1 2 330.453 3.698 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)c(C)[nH+]1 ZINC000912348937 1039828201 /nfs/dbraw/zinc/82/82/01/1039828201.db2.gz UTAPQMFOFCQHLE-KRWDZBQOSA-N 1 2 346.434 3.580 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c(C)[nH+]1 ZINC000906988801 1039868205 /nfs/dbraw/zinc/86/82/05/1039868205.db2.gz PXJSYNGLRGSHOR-XJKSGUPXSA-N 1 2 330.453 3.671 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(C)[nH+]1 ZINC000906988800 1039871005 /nfs/dbraw/zinc/87/10/05/1039871005.db2.gz PXJSYNGLRGSHOR-CZUORRHYSA-N 1 2 330.453 3.671 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000553224957 1039890318 /nfs/dbraw/zinc/89/03/18/1039890318.db2.gz YIIGOYBPBNUVGT-HNNXBMFYSA-N 1 2 328.460 3.643 20 0 EHADLO Cc1ccnc(N)c1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000893969330 1039901348 /nfs/dbraw/zinc/90/13/48/1039901348.db2.gz LIPYOZQCFMSVFQ-UWVGGRQHSA-N 1 2 341.299 3.535 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000667731744 1039916151 /nfs/dbraw/zinc/91/61/51/1039916151.db2.gz MVUYNDKDVKXCMH-QZTJIDSGSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cnc(F)c(C)c3)n2)ccc1F ZINC000893980369 1039920962 /nfs/dbraw/zinc/92/09/62/1039920962.db2.gz RYYWLQATMNVLPB-GFCCVEGCSA-N 1 2 344.365 3.877 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2occc21 ZINC000553269732 1039923559 /nfs/dbraw/zinc/92/35/59/1039923559.db2.gz JOUBDAHNWXSNRH-DLBZAZTESA-N 1 2 335.407 3.719 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479114128 1039960599 /nfs/dbraw/zinc/96/05/99/1039960599.db2.gz FQRHFZDWRSQXHI-XJKSGUPXSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479114128 1039960615 /nfs/dbraw/zinc/96/06/15/1039960615.db2.gz FQRHFZDWRSQXHI-XJKSGUPXSA-N 1 2 330.378 3.609 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000479106028 1039972653 /nfs/dbraw/zinc/97/26/53/1039972653.db2.gz UUJDJUUMESKNBC-OAHLLOKOSA-N 1 2 332.806 3.735 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000479106028 1039972665 /nfs/dbraw/zinc/97/26/65/1039972665.db2.gz UUJDJUUMESKNBC-OAHLLOKOSA-N 1 2 332.806 3.735 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(OC(C)(C)C)nc2)c(C)[nH+]1 ZINC000907242692 1039977202 /nfs/dbraw/zinc/97/72/02/1039977202.db2.gz DVIUXOAQOPHLOF-UHFFFAOYSA-N 1 2 327.428 3.509 20 0 EHADLO Cc1cc(OCC(=O)NCCc2ccccc2C)c2ccccc2[nH+]1 ZINC000486235359 1040003288 /nfs/dbraw/zinc/00/32/88/1040003288.db2.gz ZJPXJIAFSZZQGL-UHFFFAOYSA-N 1 2 334.419 3.589 20 0 EHADLO C[C@H](c1ccncc1)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393517 1040028758 /nfs/dbraw/zinc/02/87/58/1040028758.db2.gz VYCOTSYGSCVNOY-QAPCUYQASA-N 1 2 334.423 3.546 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)o1 ZINC000473455474 1040038112 /nfs/dbraw/zinc/03/81/12/1040038112.db2.gz WKRFGXHCZONUKB-UHFFFAOYSA-N 1 2 346.446 3.681 20 0 EHADLO CCc1nc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc(C)[nH+]1 ZINC000553383468 1040038172 /nfs/dbraw/zinc/03/81/72/1040038172.db2.gz VXLLJUKALNTNOQ-HNNXBMFYSA-N 1 2 335.810 3.718 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000584846748 1040079287 /nfs/dbraw/zinc/07/92/87/1040079287.db2.gz SSJHHVUXAYSKFU-MRXNPFEDSA-N 1 2 349.438 3.860 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000667462352 1040097823 /nfs/dbraw/zinc/09/78/23/1040097823.db2.gz FTFVVUQNVFXNEB-OAHLLOKOSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000667462352 1040097837 /nfs/dbraw/zinc/09/78/37/1040097837.db2.gz FTFVVUQNVFXNEB-OAHLLOKOSA-N 1 2 339.361 3.785 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000899180466 1040114694 /nfs/dbraw/zinc/11/46/94/1040114694.db2.gz WOBMFJUWBZYQTM-SFTDATJTSA-N 1 2 349.478 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000899180466 1040114709 /nfs/dbraw/zinc/11/47/09/1040114709.db2.gz WOBMFJUWBZYQTM-SFTDATJTSA-N 1 2 349.478 3.658 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000188960160 1040129953 /nfs/dbraw/zinc/12/99/53/1040129953.db2.gz SHYTWIFRHWMFHW-UHFFFAOYSA-N 1 2 346.843 3.768 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000480898383 1040146861 /nfs/dbraw/zinc/14/68/61/1040146861.db2.gz MTZBRHKNWDSIPB-LJQANCHMSA-N 1 2 344.430 3.657 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000480898383 1040146870 /nfs/dbraw/zinc/14/68/70/1040146870.db2.gz MTZBRHKNWDSIPB-LJQANCHMSA-N 1 2 344.430 3.657 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816345 1040183116 /nfs/dbraw/zinc/18/31/16/1040183116.db2.gz SMXHOFOMGXZHTL-TWMKSMIVSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816345 1040183127 /nfs/dbraw/zinc/18/31/27/1040183127.db2.gz SMXHOFOMGXZHTL-TWMKSMIVSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816344 1040185804 /nfs/dbraw/zinc/18/58/04/1040185804.db2.gz SMXHOFOMGXZHTL-QZWWFDLISA-N 1 2 341.499 3.867 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816344 1040185813 /nfs/dbraw/zinc/18/58/13/1040185813.db2.gz SMXHOFOMGXZHTL-QZWWFDLISA-N 1 2 341.499 3.867 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nonc2C)ccc1OCC(C)C ZINC000924814934 1040189938 /nfs/dbraw/zinc/18/99/38/1040189938.db2.gz MZOOQKJDVDZWLZ-STQMWFEESA-N 1 2 333.432 3.833 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000553582274 1040215680 /nfs/dbraw/zinc/21/56/80/1040215680.db2.gz OCNUCYPUMSUXIS-MRXNPFEDSA-N 1 2 344.846 3.694 20 0 EHADLO O=C(CC[N@@H+]1Cc2cccnc2C1)Nc1c(Cl)cccc1Cl ZINC000644933717 1040241101 /nfs/dbraw/zinc/24/11/01/1040241101.db2.gz QVVCBRILIRTVJB-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(CC[N@H+]1Cc2cccnc2C1)Nc1c(Cl)cccc1Cl ZINC000644933717 1040241110 /nfs/dbraw/zinc/24/11/10/1040241110.db2.gz QVVCBRILIRTVJB-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092707098 1040258322 /nfs/dbraw/zinc/25/83/22/1040258322.db2.gz QSHBSSXCSZWPES-OAHLLOKOSA-N 1 2 346.368 3.581 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092707098 1040258339 /nfs/dbraw/zinc/25/83/39/1040258339.db2.gz QSHBSSXCSZWPES-OAHLLOKOSA-N 1 2 346.368 3.581 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1nc(C(F)(F)F)cs1 ZINC000894100447 1040264568 /nfs/dbraw/zinc/26/45/68/1040264568.db2.gz GXFSSMRQYWKEIB-QMMMGPOBSA-N 1 2 330.379 3.624 20 0 EHADLO CC[N@H+](Cc1cn(C2CCC2)nn1)Cc1cccc(Br)c1 ZINC000667503280 1040315579 /nfs/dbraw/zinc/31/55/79/1040315579.db2.gz HEODOYGHIFODRN-UHFFFAOYSA-N 1 2 349.276 3.788 20 0 EHADLO CC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1cccc(Br)c1 ZINC000667503280 1040315594 /nfs/dbraw/zinc/31/55/94/1040315594.db2.gz HEODOYGHIFODRN-UHFFFAOYSA-N 1 2 349.276 3.788 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCC12CCCCC2 ZINC000660317165 1040334172 /nfs/dbraw/zinc/33/41/72/1040334172.db2.gz NOJLCPUTPXMSEJ-KRWDZBQOSA-N 1 2 344.503 3.564 20 0 EHADLO CC[C@@]1(O)CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000490072501 1040336075 /nfs/dbraw/zinc/33/60/75/1040336075.db2.gz BRFAEYDKBHJFTE-MRXNPFEDSA-N 1 2 340.345 3.793 20 0 EHADLO CCOC(=O)/C(=C\c1ccc(N)[nH+]c1)c1nc(C(C)C)c(C)s1 ZINC000899364001 1040376140 /nfs/dbraw/zinc/37/61/40/1040376140.db2.gz JJWCMMGJOIYRSF-JYRVWZFOSA-N 1 2 331.441 3.656 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)c1ccccc1F)C2 ZINC000553730463 1040383527 /nfs/dbraw/zinc/38/35/27/1040383527.db2.gz MYWSPBRHWFDPBG-CYBMUJFWSA-N 1 2 343.446 3.829 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1ccccc1F)CC2 ZINC000553730463 1040383541 /nfs/dbraw/zinc/38/35/41/1040383541.db2.gz MYWSPBRHWFDPBG-CYBMUJFWSA-N 1 2 343.446 3.829 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000417985669 1040418471 /nfs/dbraw/zinc/41/84/71/1040418471.db2.gz FWURNNCMBPGVIN-CYBMUJFWSA-N 1 2 335.835 3.584 20 0 EHADLO C[C@H](C(=O)Nc1ccc(OC2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000486824083 1040483914 /nfs/dbraw/zinc/48/39/14/1040483914.db2.gz YWIYCMWLHOVJHD-OAHLLOKOSA-N 1 2 348.512 3.774 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(C)n1 ZINC000908533823 1040502134 /nfs/dbraw/zinc/50/21/34/1040502134.db2.gz OVZIKENPUOMLKJ-UHFFFAOYSA-N 1 2 334.423 3.873 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028933 1040502820 /nfs/dbraw/zinc/50/28/20/1040502820.db2.gz QNFCGDYMZXIQAG-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028933 1040502836 /nfs/dbraw/zinc/50/28/36/1040502836.db2.gz QNFCGDYMZXIQAG-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)c2ccccc12 ZINC000109281345 1040535553 /nfs/dbraw/zinc/53/55/53/1040535553.db2.gz PTESMRRNOSLALZ-UHFFFAOYSA-N 1 2 349.434 3.866 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)Cc2ccccc21 ZINC000913140453 1040593673 /nfs/dbraw/zinc/59/36/73/1040593673.db2.gz BOEMABISRAOLPC-GFCCVEGCSA-N 1 2 328.799 3.825 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)Cc2ccccc21 ZINC000913140453 1040593683 /nfs/dbraw/zinc/59/36/83/1040593683.db2.gz BOEMABISRAOLPC-GFCCVEGCSA-N 1 2 328.799 3.825 20 0 EHADLO C[C@H](c1nnc(SC[C@@H]2C[C@H]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000629083296 1040603251 /nfs/dbraw/zinc/60/32/51/1040603251.db2.gz COGBTXHBXRKJRH-UPJWGTAASA-N 1 2 334.464 3.777 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccccc2)O1 ZINC000667557015 1040640216 /nfs/dbraw/zinc/64/02/16/1040640216.db2.gz LAZWKJRPURZELP-FOIQADDNSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccccc2)O1 ZINC000667557015 1040640226 /nfs/dbraw/zinc/64/02/26/1040640226.db2.gz LAZWKJRPURZELP-FOIQADDNSA-N 1 2 325.456 3.650 20 0 EHADLO CC1(C)C[N@H+](CC(=O)NCCCc2ccccc2)[C@@H]1c1cccs1 ZINC000553991589 1040650451 /nfs/dbraw/zinc/65/04/51/1040650451.db2.gz CHGBRDMDTWOBDJ-LJQANCHMSA-N 1 2 342.508 3.880 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)NCCCc2ccccc2)[C@@H]1c1cccs1 ZINC000553991589 1040650460 /nfs/dbraw/zinc/65/04/60/1040650460.db2.gz CHGBRDMDTWOBDJ-LJQANCHMSA-N 1 2 342.508 3.880 20 0 EHADLO S=c1n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc(-c2cccnc2)n1C1CC1 ZINC000151199968 1040660235 /nfs/dbraw/zinc/66/02/35/1040660235.db2.gz ASFKZFNTLIGMDI-GASCZTMLSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc(-c2cccnc2)n1C1CC1 ZINC000151199968 1040660248 /nfs/dbraw/zinc/66/02/48/1040660248.db2.gz ASFKZFNTLIGMDI-GASCZTMLSA-N 1 2 341.484 3.500 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CC(F)(F)F)c3ccccc3)ccn12 ZINC001125929453 1040666142 /nfs/dbraw/zinc/66/61/42/1040666142.db2.gz BXYFYQJJSDFFMC-UHFFFAOYSA-N 1 2 333.313 3.852 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)c1c(F)cccc1F ZINC000759787897 1040704974 /nfs/dbraw/zinc/70/49/74/1040704974.db2.gz NOCACKMAGPEUPB-LBPRGKRZSA-N 1 2 328.403 3.872 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)c1c(F)cccc1F ZINC000759787897 1040704992 /nfs/dbraw/zinc/70/49/92/1040704992.db2.gz NOCACKMAGPEUPB-LBPRGKRZSA-N 1 2 328.403 3.872 20 0 EHADLO Cc1[nH]c(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)[nH+]c1C ZINC000600147700 1040732704 /nfs/dbraw/zinc/73/27/04/1040732704.db2.gz IDVIEZQQFNVHEZ-OAGGEKHMSA-N 1 2 333.476 3.501 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669092085 1040734568 /nfs/dbraw/zinc/73/45/68/1040734568.db2.gz XZBAHFKTSKSNAG-KFKAGJAMSA-N 1 2 337.467 3.914 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCc2ccccc21)c1ccco1 ZINC000660363961 1040770560 /nfs/dbraw/zinc/77/05/60/1040770560.db2.gz AELWSKWYVQGFRC-ZWKOTPCHSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CC[C@@H]1CCc2ccccc21)c1ccco1 ZINC000660363961 1040770580 /nfs/dbraw/zinc/77/05/80/1040770580.db2.gz AELWSKWYVQGFRC-ZWKOTPCHSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CC[C@@H]1CCc2ccccc21)c1ccco1 ZINC000660363959 1040770674 /nfs/dbraw/zinc/77/06/74/1040770674.db2.gz AELWSKWYVQGFRC-ROUUACIJSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CC[C@@H]1CCc2ccccc21)c1ccco1 ZINC000660363959 1040770689 /nfs/dbraw/zinc/77/06/89/1040770689.db2.gz AELWSKWYVQGFRC-ROUUACIJSA-N 1 2 339.435 3.673 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000913421877 1040796037 /nfs/dbraw/zinc/79/60/37/1040796037.db2.gz OHBMVHUHAWSCEO-AEFFLSMTSA-N 1 2 346.377 3.545 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)[nH+]1 ZINC000411389040 1040810544 /nfs/dbraw/zinc/81/05/44/1040810544.db2.gz WQIXLSIEYXLJEV-UHFFFAOYSA-N 1 2 325.412 3.707 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)c(N(C)C)[nH+]1 ZINC000162629292 1040832579 /nfs/dbraw/zinc/83/25/79/1040832579.db2.gz XCBFNEYYWNAUIJ-UHFFFAOYSA-N 1 2 338.864 3.835 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509794634 1040842360 /nfs/dbraw/zinc/84/23/60/1040842360.db2.gz LOZBZXMDHCJHNH-BZSNNMDCSA-N 1 2 344.503 3.564 20 0 EHADLO CCc1cccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000652032887 1040985202 /nfs/dbraw/zinc/98/52/02/1040985202.db2.gz JVFPHXUOSMQIGE-UHFFFAOYSA-N 1 2 329.469 3.511 20 0 EHADLO CCN(CCCOc1ccc2c(c1)[nH+]c(C)n2C)CC(F)(F)F ZINC000664047043 1040986648 /nfs/dbraw/zinc/98/66/48/1040986648.db2.gz VTOIDNYLRRHYTI-UHFFFAOYSA-N 1 2 329.366 3.535 20 0 EHADLO CC1(C)C[C@@H](C(=O)OCc2cccc3[nH+]ccn32)c2ccccc2O1 ZINC000842324091 1040989227 /nfs/dbraw/zinc/98/92/27/1040989227.db2.gz ZUMQAONFEDKGKO-MRXNPFEDSA-N 1 2 336.391 3.722 20 0 EHADLO CCCN(Cc1ccccc1F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586750113 1040994662 /nfs/dbraw/zinc/99/46/62/1040994662.db2.gz DVCGHYFNHZVWJU-UHFFFAOYSA-N 1 2 339.414 3.763 20 0 EHADLO Cc1[nH+]c2cc(OCC(=O)N[C@@H](c3ccccc3)C3CC3)ccc2n1C ZINC000664053324 1041005159 /nfs/dbraw/zinc/00/51/59/1041005159.db2.gz QEGUNCCREMERAE-NRFANRHFSA-N 1 2 349.434 3.528 20 0 EHADLO COCC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCCSC1 ZINC000433184636 1041017314 /nfs/dbraw/zinc/01/73/14/1041017314.db2.gz ZWBDJDLJVUMDLX-JTQLQIEISA-N 1 2 340.436 3.506 20 0 EHADLO COCC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCCSC1 ZINC000433184636 1041017328 /nfs/dbraw/zinc/01/73/28/1041017328.db2.gz ZWBDJDLJVUMDLX-JTQLQIEISA-N 1 2 340.436 3.506 20 0 EHADLO COc1cccc(-n2ccnc2SCc2cc(OC)cc(C)[nH+]2)c1 ZINC000555712878 1041035942 /nfs/dbraw/zinc/03/59/42/1041035942.db2.gz HVPPIAUSSSCVBL-UHFFFAOYSA-N 1 2 341.436 3.885 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000586817958 1041041757 /nfs/dbraw/zinc/04/17/57/1041041757.db2.gz LIHBSSCMXGFOSM-UHFFFAOYSA-N 1 2 329.400 3.714 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487698174 1041055773 /nfs/dbraw/zinc/05/57/73/1041055773.db2.gz SXPKVUSLZRWKHV-WMZOPIPTSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000586870670 1041057372 /nfs/dbraw/zinc/05/73/72/1041057372.db2.gz SEAKAEUFCNENTA-UHFFFAOYSA-N 1 2 343.496 3.684 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000055052983 1041108306 /nfs/dbraw/zinc/10/83/06/1041108306.db2.gz NLXVASKFUVYGPM-UHFFFAOYSA-N 1 2 340.395 3.973 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000055052983 1041108316 /nfs/dbraw/zinc/10/83/16/1041108316.db2.gz NLXVASKFUVYGPM-UHFFFAOYSA-N 1 2 340.395 3.973 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433229652 1041117604 /nfs/dbraw/zinc/11/76/04/1041117604.db2.gz CQERRCXNVKEOHW-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433229652 1041117611 /nfs/dbraw/zinc/11/76/11/1041117611.db2.gz CQERRCXNVKEOHW-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000571034841 1041153573 /nfs/dbraw/zinc/15/35/73/1041153573.db2.gz FHMFCFXDAITHGI-AEFFLSMTSA-N 1 2 340.471 3.569 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000571034841 1041153579 /nfs/dbraw/zinc/15/35/79/1041153579.db2.gz FHMFCFXDAITHGI-AEFFLSMTSA-N 1 2 340.471 3.569 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571062486 1041172286 /nfs/dbraw/zinc/17/22/86/1041172286.db2.gz VWXLUGHBNTVOBT-DOTOQJQBSA-N 1 2 344.503 3.687 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000759856200 1041177011 /nfs/dbraw/zinc/17/70/11/1041177011.db2.gz XWHRLAJIPJRWEK-CQSZACIVSA-N 1 2 328.840 3.663 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000759856200 1041177021 /nfs/dbraw/zinc/17/70/21/1041177021.db2.gz XWHRLAJIPJRWEK-CQSZACIVSA-N 1 2 328.840 3.663 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000571128656 1041196216 /nfs/dbraw/zinc/19/62/16/1041196216.db2.gz JGJSYFRNXSPSCX-HXUWFJFHSA-N 1 2 341.455 3.628 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000571128656 1041196226 /nfs/dbraw/zinc/19/62/26/1041196226.db2.gz JGJSYFRNXSPSCX-HXUWFJFHSA-N 1 2 341.455 3.628 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H]1c1ccccn1 ZINC000571160237 1041209241 /nfs/dbraw/zinc/20/92/41/1041209241.db2.gz MEEAMQZXRMNNGD-PKOBYXMFSA-N 1 2 346.434 3.690 20 0 EHADLO COCc1cccc(C[N@@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)c1 ZINC000487963465 1041210656 /nfs/dbraw/zinc/21/06/56/1041210656.db2.gz QSQCHVFMOWIGSM-UHFFFAOYSA-N 1 2 347.462 3.885 20 0 EHADLO COCc1cccc(C[N@H+]2CCc3c(ncn3-c3ccc(C)cc3)C2)c1 ZINC000487963465 1041210673 /nfs/dbraw/zinc/21/06/73/1041210673.db2.gz QSQCHVFMOWIGSM-UHFFFAOYSA-N 1 2 347.462 3.885 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000419312946 1041263696 /nfs/dbraw/zinc/26/36/96/1041263696.db2.gz FGMJSTHJIJNSFG-UHFFFAOYSA-N 1 2 340.345 3.885 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1OCc1cccnc1 ZINC000652078357 1041280326 /nfs/dbraw/zinc/28/03/26/1041280326.db2.gz FGPDPNIFGWVVSS-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1OCc1cccnc1 ZINC000652078357 1041280340 /nfs/dbraw/zinc/28/03/40/1041280340.db2.gz FGPDPNIFGWVVSS-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO C/C=C\C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000395077236 1041283874 /nfs/dbraw/zinc/28/38/74/1041283874.db2.gz RIFDPDDCGVOJNB-IHWYPQMZSA-N 1 2 335.039 3.583 20 0 EHADLO CCOc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C ZINC000113047433 1041320121 /nfs/dbraw/zinc/32/01/21/1041320121.db2.gz KNNZIIXPXFNRFE-UHFFFAOYSA-N 1 2 349.434 3.569 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@H+](CCc1cscn1)C2 ZINC000451124275 1041377252 /nfs/dbraw/zinc/37/72/52/1041377252.db2.gz XDUCOGZKZMJCNJ-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@@H+](CCc1cscn1)C2 ZINC000451124275 1041377262 /nfs/dbraw/zinc/37/72/62/1041377262.db2.gz XDUCOGZKZMJCNJ-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO COCC[C@@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274748 1041387731 /nfs/dbraw/zinc/38/77/31/1041387731.db2.gz IQAXOPRJAFLOPK-WMLDXEAASA-N 1 2 339.863 3.693 20 0 EHADLO COCC[C@@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274748 1041387741 /nfs/dbraw/zinc/38/77/41/1041387741.db2.gz IQAXOPRJAFLOPK-WMLDXEAASA-N 1 2 339.863 3.693 20 0 EHADLO CC(=O)c1cccc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000664074206 1041393250 /nfs/dbraw/zinc/39/32/50/1041393250.db2.gz YFTUXWGRBUMRSD-UHFFFAOYSA-N 1 2 334.217 3.671 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C2CC2)cc1 ZINC000419343395 1041430778 /nfs/dbraw/zinc/43/07/78/1041430778.db2.gz QVHZBGOUBBDRRP-LLVKDONJSA-N 1 2 334.261 3.911 20 0 EHADLO Clc1ccc([C@@H](C2CCOCC2)[N@@H+]2CCn3cncc3C2)cc1 ZINC000660582966 1041707008 /nfs/dbraw/zinc/70/70/08/1041707008.db2.gz CJFRNQOMIGPNOE-SFHVURJKSA-N 1 2 331.847 3.520 20 0 EHADLO Clc1ccc([C@@H](C2CCOCC2)[N@H+]2CCn3cncc3C2)cc1 ZINC000660582966 1041707015 /nfs/dbraw/zinc/70/70/15/1041707015.db2.gz CJFRNQOMIGPNOE-SFHVURJKSA-N 1 2 331.847 3.520 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccc(C2SCCCS2)cc1 ZINC000198163006 1041708464 /nfs/dbraw/zinc/70/84/64/1041708464.db2.gz OGEBWWWZETXMRQ-UHFFFAOYSA-N 1 2 347.509 3.572 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000026630508 1041721192 /nfs/dbraw/zinc/72/11/92/1041721192.db2.gz DBLREHOXGPPCQK-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000026630508 1041721196 /nfs/dbraw/zinc/72/11/96/1041721196.db2.gz DBLREHOXGPPCQK-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c(C)o1 ZINC000660617273 1041728606 /nfs/dbraw/zinc/72/86/06/1041728606.db2.gz WNHSVYOKWMCGCC-LLVKDONJSA-N 1 2 337.826 3.795 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c(C)o1 ZINC000660617273 1041728612 /nfs/dbraw/zinc/72/86/12/1041728612.db2.gz WNHSVYOKWMCGCC-LLVKDONJSA-N 1 2 337.826 3.795 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628838 1041733995 /nfs/dbraw/zinc/73/39/95/1041733995.db2.gz XIUKZDXKFFMACT-OAHLLOKOSA-N 1 2 343.858 3.862 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628838 1041734005 /nfs/dbraw/zinc/73/40/05/1041734005.db2.gz XIUKZDXKFFMACT-OAHLLOKOSA-N 1 2 343.858 3.862 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2)c1C ZINC000047592323 1041743260 /nfs/dbraw/zinc/74/32/60/1041743260.db2.gz KSASGKQXBONBMK-UHFFFAOYSA-N 1 2 338.451 3.885 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2)c1C ZINC000047592323 1041743267 /nfs/dbraw/zinc/74/32/67/1041743267.db2.gz KSASGKQXBONBMK-UHFFFAOYSA-N 1 2 338.451 3.885 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651606648 1041778295 /nfs/dbraw/zinc/77/82/95/1041778295.db2.gz SZIHMJSBWUJONJ-QPJJXVBHSA-N 1 2 333.435 3.659 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000660704636 1041778972 /nfs/dbraw/zinc/77/89/72/1041778972.db2.gz BAJIVTXJWDOXCQ-TVQRCGJNSA-N 1 2 329.778 3.633 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000660704636 1041778977 /nfs/dbraw/zinc/77/89/77/1041778977.db2.gz BAJIVTXJWDOXCQ-TVQRCGJNSA-N 1 2 329.778 3.633 20 0 EHADLO CCCC[C@H](CC)CCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661044834 1041917621 /nfs/dbraw/zinc/91/76/21/1041917621.db2.gz JUVWXDLZGUIUPO-DLBZAZTESA-N 1 2 334.508 3.836 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)sc1C ZINC000661162561 1041978132 /nfs/dbraw/zinc/97/81/32/1041978132.db2.gz SMXLENJFLLJGHS-GFCCVEGCSA-N 1 2 333.457 3.560 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170879 1041981819 /nfs/dbraw/zinc/98/18/19/1041981819.db2.gz SPGFHPSVGOEKPH-KZULUSFZSA-N 1 2 347.846 3.952 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170879 1041981826 /nfs/dbraw/zinc/98/18/26/1041981826.db2.gz SPGFHPSVGOEKPH-KZULUSFZSA-N 1 2 347.846 3.952 20 0 EHADLO COCCc1nc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2Cl)no1 ZINC000661211075 1042004894 /nfs/dbraw/zinc/00/48/94/1042004894.db2.gz QQKSUFBSZLFNGF-SFHVURJKSA-N 1 2 349.862 3.509 20 0 EHADLO COCCc1nc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2Cl)no1 ZINC000661211075 1042004899 /nfs/dbraw/zinc/00/48/99/1042004899.db2.gz QQKSUFBSZLFNGF-SFHVURJKSA-N 1 2 349.862 3.509 20 0 EHADLO CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000661291574 1042052308 /nfs/dbraw/zinc/05/23/08/1042052308.db2.gz IVZKXXVHMQRNIX-GOSISDBHSA-N 1 2 329.419 3.658 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c[nH+]1 ZINC000661291472 1042052823 /nfs/dbraw/zinc/05/28/23/1042052823.db2.gz HKNXHMCKECNKAK-IAGOWNOFSA-N 1 2 345.487 3.624 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC4(CCCC4)[C@H]3c3ccco3)cc(=O)n2c1 ZINC000661447186 1042123608 /nfs/dbraw/zinc/12/36/08/1042123608.db2.gz UHKFMKIHWPUILE-HXUWFJFHSA-N 1 2 349.434 3.713 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC4(CCCC4)[C@H]3c3ccco3)cc(=O)n2c1 ZINC000661447186 1042123612 /nfs/dbraw/zinc/12/36/12/1042123612.db2.gz UHKFMKIHWPUILE-HXUWFJFHSA-N 1 2 349.434 3.713 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000066887591 1042193321 /nfs/dbraw/zinc/19/33/21/1042193321.db2.gz VSOXSPVKTAOEHM-ZNIVFJOYSA-N 1 2 339.395 3.555 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000066887591 1042193327 /nfs/dbraw/zinc/19/33/27/1042193327.db2.gz VSOXSPVKTAOEHM-ZNIVFJOYSA-N 1 2 339.395 3.555 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889766 1042209858 /nfs/dbraw/zinc/20/98/58/1042209858.db2.gz CWKZNZRBMSWWJF-CQSZACIVSA-N 1 2 340.452 3.836 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000047931764 1042267889 /nfs/dbraw/zinc/26/78/89/1042267889.db2.gz PSHUUEQNULFABF-AWEZNQCLSA-N 1 2 339.370 3.633 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000048273101 1042299062 /nfs/dbraw/zinc/29/90/62/1042299062.db2.gz UHCHMVLBYPTANM-UHFFFAOYSA-N 1 2 329.469 3.653 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000048273101 1042299067 /nfs/dbraw/zinc/29/90/67/1042299067.db2.gz UHCHMVLBYPTANM-UHFFFAOYSA-N 1 2 329.469 3.653 20 0 EHADLO CC(C)C[C@@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)n1cc[nH+]c1 ZINC000924174968 1042383373 /nfs/dbraw/zinc/38/33/73/1042383373.db2.gz WBTMXVXLOBZILR-GJZGRUSLSA-N 1 2 330.432 3.718 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(C)c1 ZINC000661998372 1042455855 /nfs/dbraw/zinc/45/58/55/1042455855.db2.gz VDZOAHHODHYUOQ-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(C)c1 ZINC000661998372 1042455859 /nfs/dbraw/zinc/45/58/59/1042455859.db2.gz VDZOAHHODHYUOQ-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2ccon2)CC1 ZINC000662042665 1042477977 /nfs/dbraw/zinc/47/79/77/1042477977.db2.gz DBSCYGHKTBVHBR-NSHDSACASA-N 1 2 330.413 3.727 20 0 EHADLO Cc1nsc(C)c1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662052569 1042486296 /nfs/dbraw/zinc/48/62/96/1042486296.db2.gz SIMAHFQIGSZLFE-ZDUSSCGKSA-N 1 2 331.268 3.890 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC(C)(C)C1 ZINC000662124498 1042535485 /nfs/dbraw/zinc/53/54/85/1042535485.db2.gz ULAKIFZJIFIMME-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO CC[N@H+](Cc1noc(C)n1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662159077 1042554321 /nfs/dbraw/zinc/55/43/21/1042554321.db2.gz ZMDNZSFTERXRTO-NSHDSACASA-N 1 2 327.350 3.850 20 0 EHADLO CC[N@@H+](Cc1noc(C)n1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662159077 1042554326 /nfs/dbraw/zinc/55/43/26/1042554326.db2.gz ZMDNZSFTERXRTO-NSHDSACASA-N 1 2 327.350 3.850 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)[C@H](C)c1nc(C(C)C)no1 ZINC000662209860 1042592613 /nfs/dbraw/zinc/59/26/13/1042592613.db2.gz ZKMOCUCHYSEJFB-CQSZACIVSA-N 1 2 333.432 3.664 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)c1nc(C(C)C)no1 ZINC000662209860 1042592616 /nfs/dbraw/zinc/59/26/16/1042592616.db2.gz ZKMOCUCHYSEJFB-CQSZACIVSA-N 1 2 333.432 3.664 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1ncc(C(C)(C)C)o1 ZINC000662208713 1042593919 /nfs/dbraw/zinc/59/39/19/1042593919.db2.gz KTIJPRQWYFLBNW-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1ncc(C(C)(C)C)o1 ZINC000662208713 1042593922 /nfs/dbraw/zinc/59/39/22/1042593922.db2.gz KTIJPRQWYFLBNW-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662213142 1042605623 /nfs/dbraw/zinc/60/56/23/1042605623.db2.gz UNFRPPKQJBXDFI-UHFFFAOYSA-N 1 2 325.412 3.633 20 0 EHADLO Cc1cc(C)n(-c2ccc(CNc3ccc4c([nH+]3)CCOC4)cc2)n1 ZINC001167797322 1042668184 /nfs/dbraw/zinc/66/81/84/1042668184.db2.gz MSKJMGVWQOBOGO-UHFFFAOYSA-N 1 2 334.423 3.569 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](C)[C@@H](C)c3cccc(O)c3)o2)c(C)o1 ZINC000161763095 1042683813 /nfs/dbraw/zinc/68/38/13/1042683813.db2.gz ZWCSZFPSVNISTE-LBPRGKRZSA-N 1 2 327.384 3.845 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](C)[C@@H](C)c3cccc(O)c3)o2)c(C)o1 ZINC000161763095 1042683816 /nfs/dbraw/zinc/68/38/16/1042683816.db2.gz ZWCSZFPSVNISTE-LBPRGKRZSA-N 1 2 327.384 3.845 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CC4CC3(c3ccccc3)C4)n2)cc1 ZINC000662334798 1042686467 /nfs/dbraw/zinc/68/64/67/1042686467.db2.gz UGDHPYXBCDQQKS-UHFFFAOYSA-N 1 2 331.419 3.782 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CC4CC3(c3ccccc3)C4)n2)cc1 ZINC000662334798 1042686471 /nfs/dbraw/zinc/68/64/71/1042686471.db2.gz UGDHPYXBCDQQKS-UHFFFAOYSA-N 1 2 331.419 3.782 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@]3(c4ccccc4)CC3(C)C)n2)c1 ZINC000662339577 1042687717 /nfs/dbraw/zinc/68/77/17/1042687717.db2.gz AMOGPWWYSSINSI-FQEVSTJZSA-N 1 2 334.423 3.855 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2CC)cc1OCCC ZINC000278872135 1042788297 /nfs/dbraw/zinc/78/82/97/1042788297.db2.gz OGIPSPBGACOKCL-OAHLLOKOSA-N 1 2 346.475 3.726 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000655527063 1042847946 /nfs/dbraw/zinc/84/79/46/1042847946.db2.gz IOKBGLJNYFXYTG-KRWDZBQOSA-N 1 2 344.503 3.614 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1N(C)C ZINC000066963946 1042888684 /nfs/dbraw/zinc/88/86/84/1042888684.db2.gz ARIKQVRINRZGBK-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000026460879 1042896756 /nfs/dbraw/zinc/89/67/56/1042896756.db2.gz RUEBYMBQUXTHIW-CYBMUJFWSA-N 1 2 346.377 3.673 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000026460879 1042896762 /nfs/dbraw/zinc/89/67/62/1042896762.db2.gz RUEBYMBQUXTHIW-CYBMUJFWSA-N 1 2 346.377 3.673 20 0 EHADLO C[C@H]1CCCN(c2cc(NCC3(C(F)(F)F)CCC3)[nH+]cn2)C1 ZINC000343970516 1042979959 /nfs/dbraw/zinc/97/99/59/1042979959.db2.gz URKGYKXTRCIEMB-LBPRGKRZSA-N 1 2 328.382 3.857 20 0 EHADLO C[C@H]1CCCN(c2cc(NCC3(C(F)(F)F)CCC3)nc[nH+]2)C1 ZINC000343970516 1042979962 /nfs/dbraw/zinc/97/99/62/1042979962.db2.gz URKGYKXTRCIEMB-LBPRGKRZSA-N 1 2 328.382 3.857 20 0 EHADLO Cc1[nH]c(CNCc2cc(Br)ccc2Cl)[nH+]c1C ZINC000722374233 1042984016 /nfs/dbraw/zinc/98/40/16/1042984016.db2.gz GSWVLJRGLPMXQT-UHFFFAOYSA-N 1 2 328.641 3.732 20 0 EHADLO CCc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663540876 1042984142 /nfs/dbraw/zinc/98/41/42/1042984142.db2.gz SJVCJMOLWYIKDA-SFHVURJKSA-N 1 2 333.439 3.744 20 0 EHADLO CC1(CNc2nc(NCc3ccccc3)c3ccccc3[nH+]2)COC1 ZINC000663600472 1043034204 /nfs/dbraw/zinc/03/42/04/1043034204.db2.gz KPQXUKKVFOZHLM-UHFFFAOYSA-N 1 2 334.423 3.690 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278978601 1043118812 /nfs/dbraw/zinc/11/88/12/1043118812.db2.gz QUNDDVZRYWBORH-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO CSc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000278982264 1043122522 /nfs/dbraw/zinc/12/25/22/1043122522.db2.gz PYLVYICZZWADTO-UHFFFAOYSA-N 1 2 345.468 3.554 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279009779 1043184759 /nfs/dbraw/zinc/18/47/59/1043184759.db2.gz UFHNNNLQBWKZOT-MRXNPFEDSA-N 1 2 327.472 3.672 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279037609 1043237063 /nfs/dbraw/zinc/23/70/63/1043237063.db2.gz XNKNZTFZKAFPLF-UHFFFAOYSA-N 1 2 343.858 3.893 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c(C)n1C1CC1 ZINC000344107351 1043265964 /nfs/dbraw/zinc/26/59/64/1043265964.db2.gz JNZCISJZRPYKNC-UHFFFAOYSA-N 1 2 339.483 3.821 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2N(C)C)c(C)n1C1CC1 ZINC000344107351 1043265974 /nfs/dbraw/zinc/26/59/74/1043265974.db2.gz JNZCISJZRPYKNC-UHFFFAOYSA-N 1 2 339.483 3.821 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000279113981 1043372128 /nfs/dbraw/zinc/37/21/28/1043372128.db2.gz CGNSFBWPJCUJKP-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344200288 1043413392 /nfs/dbraw/zinc/41/33/92/1043413392.db2.gz PNWYBUQKLURPOA-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)CCc4[nH]cc[nH+]4)cc3)nc12 ZINC000344205756 1043435387 /nfs/dbraw/zinc/43/53/87/1043435387.db2.gz AEOKSBOYAUPTLZ-UHFFFAOYSA-N 1 2 345.406 3.604 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000279153224 1043454489 /nfs/dbraw/zinc/45/44/89/1043454489.db2.gz FJUOMZQEYOLTQP-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000663675014 1043465947 /nfs/dbraw/zinc/46/59/47/1043465947.db2.gz MUAAYJQXBAXXKR-QWRGUYRKSA-N 1 2 349.278 3.994 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000344228482 1043481026 /nfs/dbraw/zinc/48/10/26/1043481026.db2.gz IGTVLBFGWNUQPD-GOSISDBHSA-N 1 2 333.453 3.599 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000344228482 1043481032 /nfs/dbraw/zinc/48/10/32/1043481032.db2.gz IGTVLBFGWNUQPD-GOSISDBHSA-N 1 2 333.453 3.599 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000344242014 1043513900 /nfs/dbraw/zinc/51/39/00/1043513900.db2.gz DCQMAKYIBBAHEV-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@]2(C)CCCc3ccccc32)cs1 ZINC000344321793 1043661235 /nfs/dbraw/zinc/66/12/35/1043661235.db2.gz VUCNBDFFMAHHHT-LJQANCHMSA-N 1 2 343.496 3.857 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1cccc(F)c1OC(F)F)CC2 ZINC000661962755 1043824183 /nfs/dbraw/zinc/82/41/83/1043824183.db2.gz XOOWUHCXYLHIFN-UHFFFAOYSA-N 1 2 327.346 3.762 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)[C@@H]1Oc1ccccc1 ZINC000893685639 1043873768 /nfs/dbraw/zinc/87/37/68/1043873768.db2.gz YDPQAMDTKDDULU-FCEWJHQRSA-N 1 2 344.455 3.687 20 0 EHADLO Cc1noc(C)c1[C@H](C)CNc1nc(C)[nH+]c(C)c1Br ZINC000663742542 1043902988 /nfs/dbraw/zinc/90/29/88/1043902988.db2.gz PHAVNMDQJUDTQK-SSDOTTSWSA-N 1 2 339.237 3.676 20 0 EHADLO Cc1ccnc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3Cl)C2)n1 ZINC001203423978 1043940330 /nfs/dbraw/zinc/94/03/30/1043940330.db2.gz KRUGXGJFYOVHGA-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)n1 ZINC001203423978 1043940335 /nfs/dbraw/zinc/94/03/35/1043940335.db2.gz KRUGXGJFYOVHGA-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO O=C(C=C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279350381 1043984788 /nfs/dbraw/zinc/98/47/88/1043984788.db2.gz BVRXQLGVYFPFSF-UHFFFAOYSA-N 1 2 327.472 3.816 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cccc(Br)c2)s1 ZINC000344628699 1044213747 /nfs/dbraw/zinc/21/37/47/1044213747.db2.gz ICTSLNXWNGVDBO-UHFFFAOYSA-N 1 2 326.263 3.714 20 0 EHADLO CCC[N@H+](Cc1ccnn1C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000279564170 1044236199 /nfs/dbraw/zinc/23/61/99/1044236199.db2.gz FLLCPTZFLJCNPQ-INIZCTEOSA-N 1 2 328.460 3.703 20 0 EHADLO CCC[N@@H+](Cc1ccnn1C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000279564170 1044236213 /nfs/dbraw/zinc/23/62/13/1044236213.db2.gz FLLCPTZFLJCNPQ-INIZCTEOSA-N 1 2 328.460 3.703 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cs1 ZINC000344697069 1044294954 /nfs/dbraw/zinc/29/49/54/1044294954.db2.gz GMRYHFKMDBXXGT-LBPRGKRZSA-N 1 2 328.441 3.530 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)sc1C ZINC000279629775 1044335123 /nfs/dbraw/zinc/33/51/23/1044335123.db2.gz HUMGTALPUVTCIG-CYBMUJFWSA-N 1 2 336.482 3.945 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(C)s2)sc1C ZINC000279629775 1044335139 /nfs/dbraw/zinc/33/51/39/1044335139.db2.gz HUMGTALPUVTCIG-CYBMUJFWSA-N 1 2 336.482 3.945 20 0 EHADLO COc1cc(CNc2ccc(C)[nH+]c2C)cc(Br)c1O ZINC000094664599 1044338136 /nfs/dbraw/zinc/33/81/36/1044338136.db2.gz SSTBWWVOIFRKBF-UHFFFAOYSA-N 1 2 337.217 3.787 20 0 EHADLO CN(C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000512315265 1044626483 /nfs/dbraw/zinc/62/64/83/1044626483.db2.gz JDJOIDZVFUHFGD-LJQANCHMSA-N 1 2 346.833 3.779 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1=O ZINC000344972575 1044758977 /nfs/dbraw/zinc/75/89/77/1044758977.db2.gz GQYGKSWRPJQENU-HUUCEWRRSA-N 1 2 349.434 3.546 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000620410965 1125566567 /nfs/dbraw/zinc/56/65/67/1125566567.db2.gz RMBAVQGYQYQEPL-SFHVURJKSA-N 1 2 343.427 3.770 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC000620502386 1125583390 /nfs/dbraw/zinc/58/33/90/1125583390.db2.gz QLPZFZIHXGAWCE-KRWDZBQOSA-N 1 2 347.462 3.921 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3CCC(C4CCC4)CC3)[nH+]c12 ZINC000620471363 1125579371 /nfs/dbraw/zinc/57/93/71/1125579371.db2.gz BCKFAKBONIRHRY-UHFFFAOYSA-N 1 2 325.456 3.660 20 0 EHADLO Oc1ccccc1C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCCO1 ZINC000183513342 1125588975 /nfs/dbraw/zinc/58/89/75/1125588975.db2.gz OJDAFXPJWXAKIM-INIZCTEOSA-N 1 2 347.842 3.932 20 0 EHADLO Oc1ccccc1C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCCO1 ZINC000183513342 1125588983 /nfs/dbraw/zinc/58/89/83/1125588983.db2.gz OJDAFXPJWXAKIM-INIZCTEOSA-N 1 2 347.842 3.932 20 0 EHADLO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000153777153 1125659612 /nfs/dbraw/zinc/65/96/12/1125659612.db2.gz LXCWFNODWIJHKH-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCCc1ccccc1)c1cccs1 ZINC000154428495 1125718520 /nfs/dbraw/zinc/71/85/20/1125718520.db2.gz APDIAKVWOSISHU-KRWDZBQOSA-N 1 2 329.465 3.655 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCCc1ccccc1)c1cccs1 ZINC000154428495 1125718527 /nfs/dbraw/zinc/71/85/27/1125718527.db2.gz APDIAKVWOSISHU-KRWDZBQOSA-N 1 2 329.465 3.655 20 0 EHADLO Cc1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)cc[nH+]1 ZINC000154476838 1125721107 /nfs/dbraw/zinc/72/11/07/1125721107.db2.gz ZTHMMTAICZJPNQ-UHFFFAOYSA-N 1 2 344.212 3.815 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000154784088 1125756292 /nfs/dbraw/zinc/75/62/92/1125756292.db2.gz YQKFRJLGUOIGAH-UHFFFAOYSA-N 1 2 335.407 3.838 20 0 EHADLO Cc1nnc(C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1C1CC1 ZINC000154901232 1125764676 /nfs/dbraw/zinc/76/46/76/1125764676.db2.gz AFKIBJGWERAGPF-UHFFFAOYSA-N 1 2 340.471 3.582 20 0 EHADLO CC(C)c1ccoc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000671209902 1126724758 /nfs/dbraw/zinc/72/47/58/1126724758.db2.gz DEHMEXUNBTZAEO-KRWDZBQOSA-N 1 2 337.423 3.850 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973739 1126730033 /nfs/dbraw/zinc/73/00/33/1126730033.db2.gz UZLCFICIPCXEOU-BBRMVZONSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973739 1126730037 /nfs/dbraw/zinc/73/00/37/1126730037.db2.gz UZLCFICIPCXEOU-BBRMVZONSA-N 1 2 343.500 3.889 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185095189 1126757025 /nfs/dbraw/zinc/75/70/25/1126757025.db2.gz FMSXQNDCRSGVKK-INIZCTEOSA-N 1 2 345.830 3.640 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172326046 1126789136 /nfs/dbraw/zinc/78/91/36/1126789136.db2.gz IWBRKAUNHVJIPF-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO Brc1cnc(CNc2cccc[nH+]2)c(Br)c1 ZINC000336656307 1126800308 /nfs/dbraw/zinc/80/03/08/1126800308.db2.gz HSCXJBTXEPSPRO-UHFFFAOYSA-N 1 2 343.022 3.614 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000174231039 1126850193 /nfs/dbraw/zinc/85/01/93/1126850193.db2.gz OEFINJCIPSDTDZ-STQMWFEESA-N 1 2 348.393 3.960 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000623121684 1126880556 /nfs/dbraw/zinc/88/05/56/1126880556.db2.gz CDINVYMSHAEWGG-OAHLLOKOSA-N 1 2 330.394 3.918 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000623121684 1126880560 /nfs/dbraw/zinc/88/05/60/1126880560.db2.gz CDINVYMSHAEWGG-OAHLLOKOSA-N 1 2 330.394 3.918 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H](C)c1ccccc1OC ZINC000623253586 1126902952 /nfs/dbraw/zinc/90/29/52/1126902952.db2.gz OQENWCMYAJKBBQ-INIZCTEOSA-N 1 2 329.444 3.672 20 0 EHADLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(-c2ccccc2)cc1 ZINC000623263146 1126907709 /nfs/dbraw/zinc/90/77/09/1126907709.db2.gz DHUYXZYEHCEJAI-IBGZPJMESA-N 1 2 345.446 3.569 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296664 1126910391 /nfs/dbraw/zinc/91/03/91/1126910391.db2.gz NBSBXGWZAUCTTG-SJLPKXTDSA-N 1 2 345.874 3.797 20 0 EHADLO FC(F)(F)c1cc(CNc2ccc(N3CCCC3)c[nH+]2)cs1 ZINC000623368551 1126932548 /nfs/dbraw/zinc/93/25/48/1126932548.db2.gz NOWKQSIUGVHJKL-UHFFFAOYSA-N 1 2 327.375 3.796 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623398269 1126944467 /nfs/dbraw/zinc/94/44/67/1126944467.db2.gz AXEAYBFTKYQNEV-UHFFFAOYSA-N 1 2 343.296 3.816 20 0 EHADLO C[C@H](CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000623411075 1126947208 /nfs/dbraw/zinc/94/72/08/1126947208.db2.gz RTYJYLGGKXEFQX-MRXNPFEDSA-N 1 2 346.519 3.620 20 0 EHADLO COc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1OC(F)F ZINC000179935157 1127101396 /nfs/dbraw/zinc/10/13/96/1127101396.db2.gz MQTLCTYUHAXPAS-UHFFFAOYSA-N 1 2 341.398 3.832 20 0 EHADLO COc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1OC(F)F ZINC000179935157 1127101400 /nfs/dbraw/zinc/10/14/00/1127101400.db2.gz MQTLCTYUHAXPAS-UHFFFAOYSA-N 1 2 341.398 3.832 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000180268837 1127139368 /nfs/dbraw/zinc/13/93/68/1127139368.db2.gz LQKGFDTWSHVPHU-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000180268837 1127139371 /nfs/dbraw/zinc/13/93/71/1127139371.db2.gz LQKGFDTWSHVPHU-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc2c(c1)OCCO2 ZINC000180649128 1127178979 /nfs/dbraw/zinc/17/89/79/1127178979.db2.gz SXWGCZWNHAEOFN-OAHLLOKOSA-N 1 2 343.427 3.739 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000180905252 1127192153 /nfs/dbraw/zinc/19/21/53/1127192153.db2.gz DRUPLCTUHSREEY-KRWDZBQOSA-N 1 2 325.456 3.659 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000083112617 1127197967 /nfs/dbraw/zinc/19/79/67/1127197967.db2.gz VOCMWIJYGXBBMW-QGZVFWFLSA-N 1 2 330.497 3.527 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000083112617 1127197970 /nfs/dbraw/zinc/19/79/70/1127197970.db2.gz VOCMWIJYGXBBMW-QGZVFWFLSA-N 1 2 330.497 3.527 20 0 EHADLO C[C@@H]1CCN(c2cnc3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000624035094 1127237879 /nfs/dbraw/zinc/23/78/79/1127237879.db2.gz JMINHAJVZWUCAH-WBMJQRKESA-N 1 2 327.819 3.567 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121247 1127255777 /nfs/dbraw/zinc/25/57/77/1127255777.db2.gz RFMQMOUFTQTEHI-FUHWJXTLSA-N 1 2 326.488 3.563 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121247 1127255778 /nfs/dbraw/zinc/25/57/78/1127255778.db2.gz RFMQMOUFTQTEHI-FUHWJXTLSA-N 1 2 326.488 3.563 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181199240 1127269840 /nfs/dbraw/zinc/26/98/40/1127269840.db2.gz BXORMCPDINXLEH-AEFFLSMTSA-N 1 2 343.471 3.916 20 0 EHADLO CCn1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc2cc(F)ccc21 ZINC000181458097 1127277648 /nfs/dbraw/zinc/27/76/48/1127277648.db2.gz XCZQVPCKCJUONM-UHFFFAOYSA-N 1 2 349.369 3.633 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)cc1F ZINC000181634411 1127286221 /nfs/dbraw/zinc/28/62/21/1127286221.db2.gz CQILGLDEZYAWQD-MRXNPFEDSA-N 1 2 349.406 3.521 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000181704880 1127289822 /nfs/dbraw/zinc/28/98/22/1127289822.db2.gz BMOOJVWYBCFVDO-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000181704880 1127289825 /nfs/dbraw/zinc/28/98/25/1127289825.db2.gz BMOOJVWYBCFVDO-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1c(F)cccc1Cl ZINC000181734275 1127292739 /nfs/dbraw/zinc/29/27/39/1127292739.db2.gz GICHLVUXHHSJIN-LLVKDONJSA-N 1 2 338.785 3.585 20 0 EHADLO Fc1ccc(Cc2nnc(NCc3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000181951484 1127304406 /nfs/dbraw/zinc/30/44/06/1127304406.db2.gz GUWCRYSAGVLVMW-UHFFFAOYSA-N 1 2 349.369 3.597 20 0 EHADLO CN(C)C(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181887685 1127301418 /nfs/dbraw/zinc/30/14/18/1127301418.db2.gz TYBRKTXGCDBDIQ-QGZVFWFLSA-N 1 2 337.250 3.761 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000182575020 1127337642 /nfs/dbraw/zinc/33/76/42/1127337642.db2.gz UFCSJLSUBVHVTG-KRWDZBQOSA-N 1 2 335.835 3.543 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000182545267 1127336690 /nfs/dbraw/zinc/33/66/90/1127336690.db2.gz XICDRCHNHVCCTI-GOSISDBHSA-N 1 2 349.862 3.933 20 0 EHADLO COc1ccc([C@@H](C)[C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182883044 1127352516 /nfs/dbraw/zinc/35/25/16/1127352516.db2.gz DZLMONGMCCHOEA-HOTGVXAUSA-N 1 2 341.455 3.531 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1nnc2n1CCCCC2 ZINC000363057359 1127365455 /nfs/dbraw/zinc/36/54/55/1127365455.db2.gz CHOIRSUTYZCRMF-LBPRGKRZSA-N 1 2 333.505 3.609 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1cc2cc(Cl)ccc2o1 ZINC000183815019 1127387858 /nfs/dbraw/zinc/38/78/58/1127387858.db2.gz XIKVHOUIUYBDEC-LLVKDONJSA-N 1 2 326.787 3.980 20 0 EHADLO Cc1cc(CNC(=O)NCCCCNc2cccc[nH+]2)ccc1Cl ZINC000184396001 1127403795 /nfs/dbraw/zinc/40/37/95/1127403795.db2.gz BVSQAPUHWWJNQM-UHFFFAOYSA-N 1 2 346.862 3.735 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)cs1 ZINC000184681385 1127411139 /nfs/dbraw/zinc/41/11/39/1127411139.db2.gz CXCIIDDBQDPOCG-KGLIPLIRSA-N 1 2 343.496 3.724 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1ncc(C)s1)c1ccccc1 ZINC000185026858 1127418776 /nfs/dbraw/zinc/41/87/76/1127418776.db2.gz UJBBPRIMKUNDEQ-GOEBONIOSA-N 1 2 331.485 3.760 20 0 EHADLO C[C@@H](NC(=O)N1CCCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185558919 1127427768 /nfs/dbraw/zinc/42/77/68/1127427768.db2.gz BCISWYQITXGPSX-HZPDHXFCSA-N 1 2 326.444 3.765 20 0 EHADLO C[C@H](Cc1nnc(SCc2cc[nH+]c(N)c2)o1)c1ccccc1 ZINC000193064596 1127432695 /nfs/dbraw/zinc/43/26/95/1127432695.db2.gz JLXXMMLJWIJZJN-GFCCVEGCSA-N 1 2 326.425 3.685 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000193509072 1127438589 /nfs/dbraw/zinc/43/85/89/1127438589.db2.gz NXRJVYAPODWUMG-LJQANCHMSA-N 1 2 329.419 3.540 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)O[C@@H](C)C2 ZINC000194234670 1127455081 /nfs/dbraw/zinc/45/50/81/1127455081.db2.gz BLPGWXPVKOWFHC-AWEZNQCLSA-N 1 2 349.434 3.699 20 0 EHADLO O=C1C[N@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)CCCN1 ZINC000764483000 1127500320 /nfs/dbraw/zinc/50/03/20/1127500320.db2.gz ZCFZATCAKGOZFD-UHFFFAOYSA-N 1 2 348.805 3.593 20 0 EHADLO O=C1C[N@@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)CCCN1 ZINC000764483000 1127500322 /nfs/dbraw/zinc/50/03/22/1127500322.db2.gz ZCFZATCAKGOZFD-UHFFFAOYSA-N 1 2 348.805 3.593 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000764925861 1127553592 /nfs/dbraw/zinc/55/35/92/1127553592.db2.gz AWLLMQSKSZTCEU-ZDUSSCGKSA-N 1 2 349.500 3.963 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765032458 1127565106 /nfs/dbraw/zinc/56/51/06/1127565106.db2.gz VZZCYQIFCRWZQJ-CHWSQXEVSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765032458 1127565109 /nfs/dbraw/zinc/56/51/09/1127565109.db2.gz VZZCYQIFCRWZQJ-CHWSQXEVSA-N 1 2 334.464 3.928 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058677 1127568365 /nfs/dbraw/zinc/56/83/65/1127568365.db2.gz WIEDDQNERSXOKS-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058677 1127568368 /nfs/dbraw/zinc/56/83/68/1127568368.db2.gz WIEDDQNERSXOKS-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO Cn1c(=S)n(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1cccc(Cl)c1 ZINC000765039633 1127568420 /nfs/dbraw/zinc/56/84/20/1127568420.db2.gz RDGMPNKXSYFKFR-OKILXGFUSA-N 1 2 348.903 3.817 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1cccc(Cl)c1 ZINC000765039633 1127568425 /nfs/dbraw/zinc/56/84/25/1127568425.db2.gz RDGMPNKXSYFKFR-OKILXGFUSA-N 1 2 348.903 3.817 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccccn1 ZINC000765069079 1127569920 /nfs/dbraw/zinc/56/99/20/1127569920.db2.gz VXKGHGUVQLVXON-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccccn1 ZINC000765069079 1127569925 /nfs/dbraw/zinc/56/99/25/1127569925.db2.gz VXKGHGUVQLVXON-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1cc(N2Cc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000765065022 1127571501 /nfs/dbraw/zinc/57/15/01/1127571501.db2.gz YGOKVEOAYPAHKH-UHFFFAOYSA-N 1 2 330.229 3.945 20 0 EHADLO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cncs1 ZINC000765437464 1127611530 /nfs/dbraw/zinc/61/15/30/1127611530.db2.gz MLBRQOYTBBTJIZ-PBHICJAKSA-N 1 2 329.469 3.548 20 0 EHADLO COc1c(Br)ccc(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001142893600 1127613121 /nfs/dbraw/zinc/61/31/21/1127613121.db2.gz XYAYGDRFVUAKKO-SNVBAGLBSA-N 1 2 334.204 3.778 20 0 EHADLO COc1c(Br)ccc(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001142893600 1127613122 /nfs/dbraw/zinc/61/31/22/1127613122.db2.gz XYAYGDRFVUAKKO-SNVBAGLBSA-N 1 2 334.204 3.778 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1)c1ccc2ccccc2c1 ZINC000542650726 1127635971 /nfs/dbraw/zinc/63/59/71/1127635971.db2.gz SULDHSJIDIVDTI-KFWWJZLASA-N 1 2 337.423 3.744 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000015296306 1127651675 /nfs/dbraw/zinc/65/16/75/1127651675.db2.gz MJQMDZWMNNDINS-MRXNPFEDSA-N 1 2 340.467 3.567 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000015296306 1127651678 /nfs/dbraw/zinc/65/16/78/1127651678.db2.gz MJQMDZWMNNDINS-MRXNPFEDSA-N 1 2 340.467 3.567 20 0 EHADLO COc1ccc(F)cc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571398 1127655706 /nfs/dbraw/zinc/65/57/06/1127655706.db2.gz RSWSSXKFARWDPB-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc(F)cc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571398 1127655708 /nfs/dbraw/zinc/65/57/08/1127655708.db2.gz RSWSSXKFARWDPB-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Cl)o3)n2)C1 ZINC000021495371 1127683257 /nfs/dbraw/zinc/68/32/57/1127683257.db2.gz LXZLJHCSCKXJEH-JTQLQIEISA-N 1 2 339.848 3.874 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Cl)o3)n2)C1 ZINC000021495371 1127683261 /nfs/dbraw/zinc/68/32/61/1127683261.db2.gz LXZLJHCSCKXJEH-JTQLQIEISA-N 1 2 339.848 3.874 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000765667038 1127720348 /nfs/dbraw/zinc/72/03/48/1127720348.db2.gz FLZAMCSIDUZIJR-FZMUQLTDSA-N 1 2 336.439 3.609 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3ccc4c(c3)CCCO4)cc2)CC1 ZINC000921568220 1127750967 /nfs/dbraw/zinc/75/09/67/1127750967.db2.gz QWRQAOZMHXSSOB-UHFFFAOYSA-N 1 2 338.451 3.585 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)OCCO2 ZINC000921581392 1127756530 /nfs/dbraw/zinc/75/65/30/1127756530.db2.gz ZTHXXJRODRYUPJ-CQSZACIVSA-N 1 2 330.428 3.984 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C1CC1 ZINC000026324809 1127771249 /nfs/dbraw/zinc/77/12/49/1127771249.db2.gz MYPJGAJWFQYJRX-NVXWUHKLSA-N 1 2 340.389 3.528 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C1CC1 ZINC000026324809 1127771251 /nfs/dbraw/zinc/77/12/51/1127771251.db2.gz MYPJGAJWFQYJRX-NVXWUHKLSA-N 1 2 340.389 3.528 20 0 EHADLO O=C(NCC1CCC(F)(F)CC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001626042309 1127781328 /nfs/dbraw/zinc/78/13/28/1127781328.db2.gz WCNPPOXQIBBTTI-UHFFFAOYSA-N 1 2 345.393 3.802 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccccc2)CCC1 ZINC000027544997 1127781433 /nfs/dbraw/zinc/78/14/33/1127781433.db2.gz MXBWETSTOACBGA-UHFFFAOYSA-N 1 2 345.446 3.670 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(C)o1 ZINC000028683513 1127790486 /nfs/dbraw/zinc/79/04/86/1127790486.db2.gz GARJKDOXTRXQOR-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(C)o1 ZINC000028683513 1127790488 /nfs/dbraw/zinc/79/04/88/1127790488.db2.gz GARJKDOXTRXQOR-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000029333041 1127799595 /nfs/dbraw/zinc/79/95/95/1127799595.db2.gz TZFBFNYNPHYCGO-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000029333041 1127799598 /nfs/dbraw/zinc/79/95/98/1127799598.db2.gz TZFBFNYNPHYCGO-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC001168563084 1127806706 /nfs/dbraw/zinc/80/67/06/1127806706.db2.gz DNCXRQAGVYVNRT-SECBINFHSA-N 1 2 343.301 3.658 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000029910957 1127811163 /nfs/dbraw/zinc/81/11/63/1127811163.db2.gz ZSTZSPAXSNYKQF-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2csc3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000030030400 1127813774 /nfs/dbraw/zinc/81/37/74/1127813774.db2.gz HKWVWBRWJVGMSP-GOSISDBHSA-N 1 2 340.492 3.756 20 0 EHADLO C[N@H+]1CCN(C(=O)c2csc3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000030030400 1127813777 /nfs/dbraw/zinc/81/37/77/1127813777.db2.gz HKWVWBRWJVGMSP-GOSISDBHSA-N 1 2 340.492 3.756 20 0 EHADLO CCCCCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000030647040 1127823329 /nfs/dbraw/zinc/82/33/29/1127823329.db2.gz NRGJCCYJIMVFFN-UHFFFAOYSA-N 1 2 341.440 3.709 20 0 EHADLO CC[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399561 1127875202 /nfs/dbraw/zinc/87/52/02/1127875202.db2.gz MORTVVUVYUOMNW-IUODEOHRSA-N 1 2 326.843 3.778 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1C2CC3CC(C2)CC1C3 ZINC000042044951 1127884535 /nfs/dbraw/zinc/88/45/35/1127884535.db2.gz BOLIGSOQHNOACG-UHFFFAOYSA-N 1 2 349.478 3.620 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042297746 1127889172 /nfs/dbraw/zinc/88/91/72/1127889172.db2.gz ODOQFQPKAREXAD-DLBZAZTESA-N 1 2 340.467 3.701 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042297746 1127889178 /nfs/dbraw/zinc/88/91/78/1127889178.db2.gz ODOQFQPKAREXAD-DLBZAZTESA-N 1 2 340.467 3.701 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043500019 1127920750 /nfs/dbraw/zinc/92/07/50/1127920750.db2.gz IMVDFFCUQPYFIE-KGLIPLIRSA-N 1 2 336.505 3.829 20 0 EHADLO CC1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000043517811 1127921471 /nfs/dbraw/zinc/92/14/71/1127921471.db2.gz SCUZCYNJLJBZPF-UHFFFAOYSA-N 1 2 336.505 3.829 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC001626057543 1127933026 /nfs/dbraw/zinc/93/30/26/1127933026.db2.gz GJXLNBPFGTUIQH-SFHVURJKSA-N 1 2 343.789 3.651 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000338632687 1127936268 /nfs/dbraw/zinc/93/62/68/1127936268.db2.gz MEIJHKVUUVYTCV-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000338632687 1127936269 /nfs/dbraw/zinc/93/62/69/1127936269.db2.gz MEIJHKVUUVYTCV-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000045773964 1127959698 /nfs/dbraw/zinc/95/96/98/1127959698.db2.gz YEKDJXDNKITPNO-CYBMUJFWSA-N 1 2 348.393 3.995 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000045773964 1127959699 /nfs/dbraw/zinc/95/96/99/1127959699.db2.gz YEKDJXDNKITPNO-CYBMUJFWSA-N 1 2 348.393 3.995 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000046569459 1127981973 /nfs/dbraw/zinc/98/19/73/1127981973.db2.gz JXMCWEUKFUWPTQ-UHFFFAOYSA-N 1 2 347.418 3.605 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000046569459 1127981978 /nfs/dbraw/zinc/98/19/78/1127981978.db2.gz JXMCWEUKFUWPTQ-UHFFFAOYSA-N 1 2 347.418 3.605 20 0 EHADLO Cc1ccc(OC(C)C)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362075 1127996552 /nfs/dbraw/zinc/99/65/52/1127996552.db2.gz GGYLESQPBKHYRS-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccccc1)C1CC1 ZINC000047249662 1128003906 /nfs/dbraw/zinc/00/39/06/1128003906.db2.gz NKNBXYSZQOUDEX-UHFFFAOYSA-N 1 2 331.419 3.736 20 0 EHADLO CN(Cc1cccc(Cl)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047270059 1128004522 /nfs/dbraw/zinc/00/45/22/1128004522.db2.gz IECWBGRQCHAANJ-UHFFFAOYSA-N 1 2 339.826 3.857 20 0 EHADLO Clc1nccc2c(Nc3ccc[nH+]c3N3CCOCC3)cccc12 ZINC001212362944 1128007350 /nfs/dbraw/zinc/00/73/50/1128007350.db2.gz WEPULQXDINADGT-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000057264886 1128043179 /nfs/dbraw/zinc/04/31/79/1128043179.db2.gz JIWREQPVSBHHQT-XJKSGUPXSA-N 1 2 334.489 3.810 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccn1 ZINC000282185746 1128044642 /nfs/dbraw/zinc/04/46/42/1128044642.db2.gz ZUSYHXFPZLSEBH-NSHDSACASA-N 1 2 334.445 3.736 20 0 EHADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCCCn1cc[nH+]c1 ZINC000057374464 1128045621 /nfs/dbraw/zinc/04/56/21/1128045621.db2.gz PRMFXIDLUWBBRR-UHFFFAOYSA-N 1 2 344.503 3.521 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000057485129 1128051574 /nfs/dbraw/zinc/05/15/74/1128051574.db2.gz FZWDDTZIAMORLO-OAHLLOKOSA-N 1 2 342.443 3.883 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000057849525 1128059796 /nfs/dbraw/zinc/05/97/96/1128059796.db2.gz IJIACRUATNLTKB-LSDHHAIUSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000057849525 1128059798 /nfs/dbraw/zinc/05/97/98/1128059798.db2.gz IJIACRUATNLTKB-LSDHHAIUSA-N 1 2 344.430 3.532 20 0 EHADLO CC(=O)c1cccc(Cl)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212369275 1128060254 /nfs/dbraw/zinc/06/02/54/1128060254.db2.gz ZDTKTBONWNFUKD-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CCOCC[NH+]1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000058575212 1128072916 /nfs/dbraw/zinc/07/29/16/1128072916.db2.gz VOWHPRYNSDPBLK-UHFFFAOYSA-N 1 2 348.487 3.708 20 0 EHADLO CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000058819906 1128081545 /nfs/dbraw/zinc/08/15/45/1128081545.db2.gz RSWRPOBFLUCRLI-SFHVURJKSA-N 1 2 344.455 3.579 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+]CC=Cc3ccc(F)c(F)c3)[nH]2)cc1 ZINC000671716720 1128089468 /nfs/dbraw/zinc/08/94/68/1128089468.db2.gz NNFDSVCRUSGDNY-UPHRSURJSA-N 1 2 344.340 3.692 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+]CC=Cc3ccc(F)c(F)c3)n2)cc1 ZINC000671716720 1128089470 /nfs/dbraw/zinc/08/94/70/1128089470.db2.gz NNFDSVCRUSGDNY-UPHRSURJSA-N 1 2 344.340 3.692 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(c2ccccc2)CC1 ZINC000060614986 1128110402 /nfs/dbraw/zinc/11/04/02/1128110402.db2.gz WSKSUMKZTULRLU-UHFFFAOYSA-N 1 2 345.446 3.951 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347577845 1128116089 /nfs/dbraw/zinc/11/60/89/1128116089.db2.gz HJHMZIMHWXMBCL-HOTGVXAUSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1noc(C)c1C[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347577845 1128116092 /nfs/dbraw/zinc/11/60/92/1128116092.db2.gz HJHMZIMHWXMBCL-HOTGVXAUSA-N 1 2 327.472 3.640 20 0 EHADLO Cc1ccc(Nc2ccccc2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000063824563 1128158517 /nfs/dbraw/zinc/15/85/17/1128158517.db2.gz NMZRNXMLWNETEY-MRXNPFEDSA-N 1 2 334.423 3.754 20 0 EHADLO CCCN(C)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000063918958 1128160029 /nfs/dbraw/zinc/16/00/29/1128160029.db2.gz HVEUJTQMODJEAQ-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO Cn1cc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000064458228 1128168551 /nfs/dbraw/zinc/16/85/51/1128168551.db2.gz BZZHZUANRYMKDL-UHFFFAOYSA-N 1 2 330.391 3.545 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)[nH]c2c1 ZINC000065737985 1128200055 /nfs/dbraw/zinc/20/00/55/1128200055.db2.gz OHDQLAGHQXUMLW-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1F ZINC000068422944 1128266146 /nfs/dbraw/zinc/26/61/46/1128266146.db2.gz ZDFLPUBMOICZQM-UHFFFAOYSA-N 1 2 329.419 3.507 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072771290 1128305832 /nfs/dbraw/zinc/30/58/32/1128305832.db2.gz VTJMTMMTVUEZSW-UTUOFQBUSA-N 1 2 342.892 3.501 20 0 EHADLO c1ccc(N2CCC(Cc3nc(C4CCCCC4)no3)CC2)[nH+]c1 ZINC000624448336 1128364946 /nfs/dbraw/zinc/36/49/46/1128364946.db2.gz ZCAIEBOLYUJYEK-UHFFFAOYSA-N 1 2 326.444 3.971 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)N2c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624464955 1128368821 /nfs/dbraw/zinc/36/88/21/1128368821.db2.gz WYNDJSKRJOUSKR-IYBDPMFKSA-N 1 2 342.393 3.763 20 0 EHADLO CC(C)O[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000765814241 1128432034 /nfs/dbraw/zinc/43/20/34/1128432034.db2.gz XAXHKWRCUQBJRV-RTBURBONSA-N 1 2 332.488 3.652 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H](O)CC(C)(C)C)cc2)[nH+]c1C ZINC000921653559 1128435883 /nfs/dbraw/zinc/43/58/83/1128435883.db2.gz GDYUYQBAISRXOT-MRXNPFEDSA-N 1 2 329.444 3.819 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCO[C@H]3C(C)C)cc2)[nH+]c1C ZINC000921659907 1128439225 /nfs/dbraw/zinc/43/92/25/1128439225.db2.gz PPQVAJRPJJNYBZ-IRXDYDNUSA-N 1 2 327.428 3.693 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(C(C)C)n(C)n3)cc2)[nH+]c1C ZINC000921660143 1128439789 /nfs/dbraw/zinc/43/97/89/1128439789.db2.gz KXIVGUFMRVXDPD-UHFFFAOYSA-N 1 2 337.427 3.803 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn(CC4CC4)c3)cc2)[nH+]c1C ZINC000921669022 1128448367 /nfs/dbraw/zinc/44/83/67/1128448367.db2.gz FQDJZKDBLKYGPV-UHFFFAOYSA-N 1 2 335.411 3.552 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)CC2 ZINC000347630484 1128458035 /nfs/dbraw/zinc/45/80/35/1128458035.db2.gz NRQUFJUDGHNXKS-UHFFFAOYSA-N 1 2 341.386 3.684 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)CC2 ZINC000347630484 1128458036 /nfs/dbraw/zinc/45/80/36/1128458036.db2.gz NRQUFJUDGHNXKS-UHFFFAOYSA-N 1 2 341.386 3.684 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)ccn1 ZINC000347641903 1128504180 /nfs/dbraw/zinc/50/41/80/1128504180.db2.gz CIXFPRSUVKMWJF-NSHDSACASA-N 1 2 329.425 3.966 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000465625287 1128531770 /nfs/dbraw/zinc/53/17/70/1128531770.db2.gz FRPHDPVTSOUQOG-UHFFFAOYSA-N 1 2 342.443 3.740 20 0 EHADLO FC(F)(F)Cc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000624755632 1128645282 /nfs/dbraw/zinc/64/52/82/1128645282.db2.gz YSFUNHQPVXCNCO-UHFFFAOYSA-N 1 2 336.361 3.794 20 0 EHADLO FC(F)(F)Cc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000624755632 1128645284 /nfs/dbraw/zinc/64/52/84/1128645284.db2.gz YSFUNHQPVXCNCO-UHFFFAOYSA-N 1 2 336.361 3.794 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(C4(c5ccncc5)CCC4)no3)ccn12 ZINC000656035664 1128672981 /nfs/dbraw/zinc/67/29/81/1128672981.db2.gz QBALFHUJRSFPHV-UHFFFAOYSA-N 1 2 331.379 3.558 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(C)n1 ZINC000542852387 1128690623 /nfs/dbraw/zinc/69/06/23/1128690623.db2.gz AUMONEMROMMUKC-LJQANCHMSA-N 1 2 344.430 3.728 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(C)n1 ZINC000542852387 1128690624 /nfs/dbraw/zinc/69/06/24/1128690624.db2.gz AUMONEMROMMUKC-LJQANCHMSA-N 1 2 344.430 3.728 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000303964923 1128711309 /nfs/dbraw/zinc/71/13/09/1128711309.db2.gz XYVPXXMJNPTOHO-IDIDMLECSA-N 1 2 326.484 3.670 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000072862987 1128740408 /nfs/dbraw/zinc/74/04/08/1128740408.db2.gz PBUYFQSJBLUTBW-CYBMUJFWSA-N 1 2 336.888 3.581 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000072862987 1128740412 /nfs/dbraw/zinc/74/04/12/1128740412.db2.gz PBUYFQSJBLUTBW-CYBMUJFWSA-N 1 2 336.888 3.581 20 0 EHADLO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CCc1c[nH]c[nH+]1 ZINC000475610892 1128747783 /nfs/dbraw/zinc/74/77/83/1128747783.db2.gz XXPNFIOTEZZKHO-IBGZPJMESA-N 1 2 327.472 3.992 20 0 EHADLO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CCc1c[nH+]c[nH]1 ZINC000475610892 1128747786 /nfs/dbraw/zinc/74/77/86/1128747786.db2.gz XXPNFIOTEZZKHO-IBGZPJMESA-N 1 2 327.472 3.992 20 0 EHADLO Cc1ccc2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000338730120 1128773805 /nfs/dbraw/zinc/77/38/05/1128773805.db2.gz TWSMNRSJAADVLS-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000265756277 1128776571 /nfs/dbraw/zinc/77/65/71/1128776571.db2.gz IYZNIYFTJYXJTE-QMTHXVAHSA-N 1 2 335.860 3.561 20 0 EHADLO CCOc1cc(C)ccc1C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921835548 1128798518 /nfs/dbraw/zinc/79/85/18/1128798518.db2.gz XXNSNSNOLGLOLO-UHFFFAOYSA-N 1 2 342.468 3.541 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000074512675 1128812364 /nfs/dbraw/zinc/81/23/64/1128812364.db2.gz RARLAYGZCFLXSD-MRXNPFEDSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1cccn2cc(Cc3noc(/C=C\c4cccc(F)c4)n3)[nH+]c12 ZINC000547089678 1128816032 /nfs/dbraw/zinc/81/60/32/1128816032.db2.gz LOQOMXLSUXSOAK-FPLPWBNLSA-N 1 2 334.354 3.926 20 0 EHADLO CC[C@H]1c2ccccc2CCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000074643287 1128817672 /nfs/dbraw/zinc/81/76/72/1128817672.db2.gz YEJXSVSCOQSPEE-IBGZPJMESA-N 1 2 333.435 3.721 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)[C@@H](C)C1 ZINC000672189370 1128840488 /nfs/dbraw/zinc/84/04/88/1128840488.db2.gz VYVIVLREWXLVOD-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)[C@@H](C)C1 ZINC000672189370 1128840493 /nfs/dbraw/zinc/84/04/93/1128840493.db2.gz VYVIVLREWXLVOD-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO COc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1Br ZINC000672202618 1128845106 /nfs/dbraw/zinc/84/51/06/1128845106.db2.gz FMYTXTXSLOHLBG-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280690 1128846073 /nfs/dbraw/zinc/84/60/73/1128846073.db2.gz FVRHWSYXONDCIQ-HOCLYGCPSA-N 1 2 336.501 3.918 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280690 1128846076 /nfs/dbraw/zinc/84/60/76/1128846076.db2.gz FVRHWSYXONDCIQ-HOCLYGCPSA-N 1 2 336.501 3.918 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)c(C)[nH+]1 ZINC001670649130 1120096256 /nfs/dbraw/zinc/09/62/56/1120096256.db2.gz UMWWKWDHNKIQSC-OLZOCXBDSA-N 1 2 345.365 3.628 20 0 EHADLO CCc1nnc(N(C)C2CCCCC2)n1CCCNc1cccc[nH+]1 ZINC001709028499 1120140792 /nfs/dbraw/zinc/14/07/92/1120140792.db2.gz QUPVFPPBHCMCJT-UHFFFAOYSA-N 1 2 342.491 3.507 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c1OC ZINC000152203146 1120203318 /nfs/dbraw/zinc/20/33/18/1120203318.db2.gz WEHUBEKGDKWDCN-GFCCVEGCSA-N 1 2 332.469 3.575 20 0 EHADLO C[C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687423719 1120336125 /nfs/dbraw/zinc/33/61/25/1120336125.db2.gz DQDFNBYSSYNIHY-RDJZCZTQSA-N 1 2 328.460 3.606 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185324487 1120409200 /nfs/dbraw/zinc/40/92/00/1120409200.db2.gz IAJOTULROGWYHE-OAHLLOKOSA-N 1 2 344.405 3.955 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185324487 1120409204 /nfs/dbraw/zinc/40/92/04/1120409204.db2.gz IAJOTULROGWYHE-OAHLLOKOSA-N 1 2 344.405 3.955 20 0 EHADLO CCCc1csc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000494322329 1120535206 /nfs/dbraw/zinc/53/52/06/1120535206.db2.gz HJHGITFQDRKCHP-UHFFFAOYSA-N 1 2 331.485 3.749 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494393323 1120554134 /nfs/dbraw/zinc/55/41/34/1120554134.db2.gz OONJQRFPPKDAAA-KGLIPLIRSA-N 1 2 336.443 3.544 20 0 EHADLO C[C@@]([NH2+]Cc1ccc(F)c(Cl)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000189706596 1120606838 /nfs/dbraw/zinc/60/68/38/1120606838.db2.gz PRIYYHGABYQUHP-INIZCTEOSA-N 1 2 341.213 3.623 20 0 EHADLO CC[C@H]([NH2+]CC1(c2ccccc2C)CCOCC1)C(=O)OC(C)(C)C ZINC000190536424 1120641866 /nfs/dbraw/zinc/64/18/66/1120641866.db2.gz SCQYDMNHYOBSPW-SFHVURJKSA-N 1 2 347.499 3.753 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cn(C(C)(C)C)nn1 ZINC000191262393 1120665983 /nfs/dbraw/zinc/66/59/83/1120665983.db2.gz JXJLMMISJSUAIX-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cn(C(C)(C)C)nn1 ZINC000191262393 1120665986 /nfs/dbraw/zinc/66/59/86/1120665986.db2.gz JXJLMMISJSUAIX-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1nc(Cc2ccccc2)no1 ZINC000191594828 1120681097 /nfs/dbraw/zinc/68/10/97/1120681097.db2.gz XWBMAMUBUGPEHV-HNNXBMFYSA-N 1 2 347.418 3.787 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCC1CCOCC1 ZINC000192069204 1120710349 /nfs/dbraw/zinc/71/03/49/1120710349.db2.gz XTBGPEYTJUANMB-KRWDZBQOSA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CCOCC1 ZINC000192069204 1120710354 /nfs/dbraw/zinc/71/03/54/1120710354.db2.gz XTBGPEYTJUANMB-KRWDZBQOSA-N 1 2 339.863 3.693 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1csc(Nc2ccccc2)n1 ZINC000494669521 1120716724 /nfs/dbraw/zinc/71/67/24/1120716724.db2.gz BYXHNCQKKMCOBV-OAHLLOKOSA-N 1 2 345.493 3.502 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000192771427 1120748164 /nfs/dbraw/zinc/74/81/64/1120748164.db2.gz WFFPYROWORUELT-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000192771427 1120748168 /nfs/dbraw/zinc/74/81/68/1120748168.db2.gz WFFPYROWORUELT-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000193148459 1120760891 /nfs/dbraw/zinc/76/08/91/1120760891.db2.gz VQRSLMMDQOZJCN-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000193148459 1120760897 /nfs/dbraw/zinc/76/08/97/1120760897.db2.gz VQRSLMMDQOZJCN-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccnc1OC ZINC000193380111 1120773814 /nfs/dbraw/zinc/77/38/14/1120773814.db2.gz MDPWLDINRRNFDV-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccnc1OC ZINC000193380111 1120773819 /nfs/dbraw/zinc/77/38/19/1120773819.db2.gz MDPWLDINRRNFDV-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168468700 1120786946 /nfs/dbraw/zinc/78/69/46/1120786946.db2.gz NSPQTNBPHOBSDZ-BEFAXECRSA-N 1 2 329.415 3.521 20 0 EHADLO CCCCN(CC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605175 1120787455 /nfs/dbraw/zinc/78/74/55/1120787455.db2.gz DHTSWUXOFJSRSY-CALCHBBNSA-N 1 2 347.503 3.950 20 0 EHADLO CCCCN(CC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605175 1120787460 /nfs/dbraw/zinc/78/74/60/1120787460.db2.gz DHTSWUXOFJSRSY-CALCHBBNSA-N 1 2 347.503 3.950 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000351260429 1120800510 /nfs/dbraw/zinc/80/05/10/1120800510.db2.gz KUBKXOWMLIHSMJ-CQSZACIVSA-N 1 2 333.382 3.552 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000195732384 1120814052 /nfs/dbraw/zinc/81/40/52/1120814052.db2.gz GVRCEKVIUSYENR-XOBRGWDASA-N 1 2 342.439 3.549 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000195732384 1120814053 /nfs/dbraw/zinc/81/40/53/1120814053.db2.gz GVRCEKVIUSYENR-XOBRGWDASA-N 1 2 342.439 3.549 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[NH2+][C@@H](C)c3nncn3C)s2)cc1 ZINC000494796708 1120830365 /nfs/dbraw/zinc/83/03/65/1120830365.db2.gz WRBXUDUNXMOGDL-ZDUSSCGKSA-N 1 2 341.484 3.913 20 0 EHADLO CO[C@H](C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C)CC(C)C ZINC001168473751 1120902293 /nfs/dbraw/zinc/90/22/93/1120902293.db2.gz GGUFNYYWRCMWOT-ZWKOTPCHSA-N 1 2 335.488 3.795 20 0 EHADLO Nc1cc(N[C@H](c2ccccn2)C(F)(F)F)[nH+]c(C(F)(F)F)c1 ZINC001168477109 1120949543 /nfs/dbraw/zinc/94/95/43/1120949543.db2.gz IDDMCTUEHDQITO-LLVKDONJSA-N 1 2 336.239 3.793 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000153320408 1120963219 /nfs/dbraw/zinc/96/32/19/1120963219.db2.gz MDBBUQSQNWSOTE-MRXNPFEDSA-N 1 2 345.516 3.521 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000153320408 1120963220 /nfs/dbraw/zinc/96/32/20/1120963220.db2.gz MDBBUQSQNWSOTE-MRXNPFEDSA-N 1 2 345.516 3.521 20 0 EHADLO CC[C@H](NC(=S)NCc1ccn2cc[nH+]c2c1)c1cccs1 ZINC000761836529 1120977861 /nfs/dbraw/zinc/97/78/61/1120977861.db2.gz DGAPMLJKKGQDGA-ZDUSSCGKSA-N 1 2 330.482 3.511 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+]Cc2ccccc2Br)CC1 ZINC000495178089 1120977937 /nfs/dbraw/zinc/97/79/37/1120977937.db2.gz XSEHJUONDXULSB-UHFFFAOYSA-N 1 2 345.240 3.710 20 0 EHADLO FC(F)(F)SCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000762080377 1121091878 /nfs/dbraw/zinc/09/18/78/1121091878.db2.gz VHWAGYTXUJNMBV-UHFFFAOYSA-N 1 2 326.303 3.675 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3cccc(C)c3C2)C1 ZINC000762086356 1121099770 /nfs/dbraw/zinc/09/97/70/1121099770.db2.gz JWPIBIFNVUODPH-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3cccc(C)c3C2)C1 ZINC000762086356 1121099778 /nfs/dbraw/zinc/09/97/78/1121099778.db2.gz JWPIBIFNVUODPH-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ncccc1C(F)(F)F ZINC000762205615 1121175547 /nfs/dbraw/zinc/17/55/47/1121175547.db2.gz IVMYQBMIZKJDHW-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO CCc1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)on1 ZINC001203226582 1121237043 /nfs/dbraw/zinc/23/70/43/1121237043.db2.gz PCIAJSOLZLGBMR-UHFFFAOYSA-N 1 2 340.254 3.866 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H]2CCCC[C@@H]12 ZINC000915209835 1121254347 /nfs/dbraw/zinc/25/43/47/1121254347.db2.gz PCQLGLBDMUYTLR-COXVUDFISA-N 1 2 345.418 3.501 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H]2CCCC[C@@H]12 ZINC000915209835 1121254354 /nfs/dbraw/zinc/25/43/54/1121254354.db2.gz PCQLGLBDMUYTLR-COXVUDFISA-N 1 2 345.418 3.501 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000915243560 1121273115 /nfs/dbraw/zinc/27/31/15/1121273115.db2.gz LTKSTWFMLIGXLR-GOSISDBHSA-N 1 2 338.455 3.819 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(SC(F)(F)F)cc2)n1 ZINC000762412303 1121284677 /nfs/dbraw/zinc/28/46/77/1121284677.db2.gz UVXVQOZFIPZGRM-UHFFFAOYSA-N 1 2 340.330 3.673 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C(C)(C)O)cc1 ZINC000925423083 1121305300 /nfs/dbraw/zinc/30/53/00/1121305300.db2.gz ZLKSTFOREQFHFM-YVEFUNNKSA-N 1 2 335.394 3.576 20 0 EHADLO Cc1ccc(C=Cc2nc(SCc3cc[nH+]c(N(C)C)c3)n[nH]2)o1 ZINC000762465777 1121318509 /nfs/dbraw/zinc/31/85/09/1121318509.db2.gz BICMTMLFRTZKRK-VOTSOKGWSA-N 1 2 341.440 3.630 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762497453 1121326889 /nfs/dbraw/zinc/32/68/89/1121326889.db2.gz SBYBREAIPGMOPV-GOSISDBHSA-N 1 2 349.438 3.533 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762497453 1121326899 /nfs/dbraw/zinc/32/68/99/1121326899.db2.gz SBYBREAIPGMOPV-GOSISDBHSA-N 1 2 349.438 3.533 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]CCOC3CCC3)c3ccccc3)n2)cc1 ZINC000762641877 1121391364 /nfs/dbraw/zinc/39/13/64/1121391364.db2.gz RGFGYPCZLYDJGI-LJQANCHMSA-N 1 2 349.434 3.985 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(SC(F)F)nc3)ccn12 ZINC001127365299 1121402038 /nfs/dbraw/zinc/40/20/38/1121402038.db2.gz SDSXGLOBWXNRIZ-UHFFFAOYSA-N 1 2 334.351 3.605 20 0 EHADLO Nc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000094049703 1121484264 /nfs/dbraw/zinc/48/42/64/1121484264.db2.gz OEXNEVISIVCMIU-SNVBAGLBSA-N 1 2 337.183 3.806 20 0 EHADLO Nc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000094049703 1121484270 /nfs/dbraw/zinc/48/42/70/1121484270.db2.gz OEXNEVISIVCMIU-SNVBAGLBSA-N 1 2 337.183 3.806 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)cn1 ZINC000542573338 1121501897 /nfs/dbraw/zinc/50/18/97/1121501897.db2.gz HVGVJMWWRSNENZ-RYUDHWBXSA-N 1 2 331.445 3.987 20 0 EHADLO CCN(CC)c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000347446443 1121532204 /nfs/dbraw/zinc/53/22/04/1121532204.db2.gz LDTFCUZGZSWMDV-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)OCC(F)(F)F)c(C)c1 ZINC000495803388 1121532371 /nfs/dbraw/zinc/53/23/71/1121532371.db2.gz JOPOZILYMVNJFA-CQSZACIVSA-N 1 2 341.333 3.530 20 0 EHADLO CC(C)n1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495908516 1121564968 /nfs/dbraw/zinc/56/49/68/1121564968.db2.gz DKGDFXWATYARPL-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)n1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495908516 1121564972 /nfs/dbraw/zinc/56/49/72/1121564972.db2.gz DKGDFXWATYARPL-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@@H]1F ZINC001235589944 1121645851 /nfs/dbraw/zinc/64/58/51/1121645851.db2.gz GLMGCSAABLAPFH-RYUDHWBXSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@@H]1F ZINC001235589944 1121645852 /nfs/dbraw/zinc/64/58/52/1121645852.db2.gz GLMGCSAABLAPFH-RYUDHWBXSA-N 1 2 326.626 3.942 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000762998395 1121648182 /nfs/dbraw/zinc/64/81/82/1121648182.db2.gz XKHZTLSXEWEXAL-FQEVSTJZSA-N 1 2 349.434 3.578 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000763049150 1121664692 /nfs/dbraw/zinc/66/46/92/1121664692.db2.gz QWLKWQKCTIGOBO-AWEZNQCLSA-N 1 2 331.485 3.970 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1)Cn1c(=O)scc1C(F)(F)F ZINC000749943393 1121681220 /nfs/dbraw/zinc/68/12/20/1121681220.db2.gz FDTOHLMFMQAVPV-UHFFFAOYSA-N 1 2 330.375 3.717 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1)Cn1c(=O)scc1C(F)(F)F ZINC000749943393 1121681223 /nfs/dbraw/zinc/68/12/23/1121681223.db2.gz FDTOHLMFMQAVPV-UHFFFAOYSA-N 1 2 330.375 3.717 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696892 1121858015 /nfs/dbraw/zinc/85/80/15/1121858015.db2.gz KZYRKZLHBYYNCD-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO CN(Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000253436106 1121912078 /nfs/dbraw/zinc/91/20/78/1121912078.db2.gz LWRZHYHCNPKINW-MDWZMJQESA-N 1 2 349.478 3.569 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485314 1121920652 /nfs/dbraw/zinc/92/06/52/1121920652.db2.gz BLODYOXETKCZKK-AWEZNQCLSA-N 1 2 346.862 3.940 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc(C2CC2)n1Cc1ccco1 ZINC000763329824 1121960628 /nfs/dbraw/zinc/96/06/28/1121960628.db2.gz AYPPTJDGRXTNLU-OAHLLOKOSA-N 1 2 344.484 3.622 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nc(C2CC2)n1Cc1ccco1 ZINC000763329824 1121960631 /nfs/dbraw/zinc/96/06/31/1121960631.db2.gz AYPPTJDGRXTNLU-OAHLLOKOSA-N 1 2 344.484 3.622 20 0 EHADLO CC(C)([NH2+]Cc1nc(Br)c[nH]1)c1cccc(Cl)c1F ZINC000922009487 1129022185 /nfs/dbraw/zinc/02/21/85/1129022185.db2.gz UHEXFEZYGSXXJH-UHFFFAOYSA-N 1 2 346.631 3.990 20 0 EHADLO CCC1CCC(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444189092 1121966481 /nfs/dbraw/zinc/96/64/81/1121966481.db2.gz FFCPQRIRPSYVQH-JCYILVPMSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@H](CCc1ccco1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000326657488 1121972896 /nfs/dbraw/zinc/97/28/96/1121972896.db2.gz GGYJJMSJOUDNOP-CQSZACIVSA-N 1 2 333.395 3.842 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000496180648 1121994427 /nfs/dbraw/zinc/99/44/27/1121994427.db2.gz IXVZCUBVZKJGCN-LBPRGKRZSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000496180648 1121994433 /nfs/dbraw/zinc/99/44/33/1121994433.db2.gz IXVZCUBVZKJGCN-LBPRGKRZSA-N 1 2 331.441 3.601 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000916002321 1122017167 /nfs/dbraw/zinc/01/71/67/1122017167.db2.gz TZRGBWWIUYAFGA-UHFFFAOYSA-N 1 2 346.887 3.690 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000496351043 1122056935 /nfs/dbraw/zinc/05/69/35/1122056935.db2.gz WADCSOZHMULUCK-UHFFFAOYSA-N 1 2 342.443 3.813 20 0 EHADLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3ccccc3cc2O)cn1 ZINC000916661001 1122246563 /nfs/dbraw/zinc/24/65/63/1122246563.db2.gz RPWUKBLOGFZQDF-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO COCc1cc(NCCCCNc2cccc[nH+]2)nc(C(C)(C)C)n1 ZINC000124477093 1122285244 /nfs/dbraw/zinc/28/52/44/1122285244.db2.gz LZXUPNSSKFQAGF-UHFFFAOYSA-N 1 2 343.475 3.620 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000125156457 1122307497 /nfs/dbraw/zinc/30/74/97/1122307497.db2.gz SOXJLHXAEFWGDG-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000125156457 1122307505 /nfs/dbraw/zinc/30/75/05/1122307505.db2.gz SOXJLHXAEFWGDG-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)c1 ZINC000125824413 1122345714 /nfs/dbraw/zinc/34/57/14/1122345714.db2.gz GGJBUSFJONNMID-LJQANCHMSA-N 1 2 347.466 3.925 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)c1 ZINC000125824413 1122345724 /nfs/dbraw/zinc/34/57/24/1122345724.db2.gz GGJBUSFJONNMID-LJQANCHMSA-N 1 2 347.466 3.925 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127164387 1122466492 /nfs/dbraw/zinc/46/64/92/1122466492.db2.gz IOEURHFKYPFENR-FUHWJXTLSA-N 1 2 347.409 3.522 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127164387 1122466495 /nfs/dbraw/zinc/46/64/95/1122466495.db2.gz IOEURHFKYPFENR-FUHWJXTLSA-N 1 2 347.409 3.522 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000917105362 1122503868 /nfs/dbraw/zinc/50/38/68/1122503868.db2.gz BLENPCZBUACZAP-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000917105362 1122503872 /nfs/dbraw/zinc/50/38/72/1122503872.db2.gz BLENPCZBUACZAP-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000067462061 1122515718 /nfs/dbraw/zinc/51/57/18/1122515718.db2.gz NXQPOOLREXYVNF-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000067462061 1122515723 /nfs/dbraw/zinc/51/57/23/1122515723.db2.gz NXQPOOLREXYVNF-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C(C)C)cc2O)cn1 ZINC000917189572 1122550904 /nfs/dbraw/zinc/55/09/04/1122550904.db2.gz IGJOTCQEYUCIKG-UHFFFAOYSA-N 1 2 336.395 3.657 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000128495569 1122610029 /nfs/dbraw/zinc/61/00/29/1122610029.db2.gz VGOFGXOLJHHIGD-MRXNPFEDSA-N 1 2 349.434 3.721 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000917483620 1122614021 /nfs/dbraw/zinc/61/40/21/1122614021.db2.gz VTMYVNCDODMBIC-SFHVURJKSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000917483620 1122614022 /nfs/dbraw/zinc/61/40/22/1122614022.db2.gz VTMYVNCDODMBIC-SFHVURJKSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)c2c1 ZINC000917613508 1122653487 /nfs/dbraw/zinc/65/34/87/1122653487.db2.gz JSAZLXCVYOKGOV-UHFFFAOYSA-N 1 2 338.382 3.789 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c2c1 ZINC000917613508 1122653489 /nfs/dbraw/zinc/65/34/89/1122653489.db2.gz JSAZLXCVYOKGOV-UHFFFAOYSA-N 1 2 338.382 3.789 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000498011840 1122725920 /nfs/dbraw/zinc/72/59/20/1122725920.db2.gz JLZLXSFTMWYOFM-AEFFLSMTSA-N 1 2 325.456 3.878 20 0 EHADLO O=C1[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)CCN1c1ccccc1 ZINC000068946243 1122730737 /nfs/dbraw/zinc/73/07/37/1122730737.db2.gz YZEJEPVSDGFAMI-QUCCMNQESA-N 1 2 332.403 3.764 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672830916 1129083261 /nfs/dbraw/zinc/08/32/61/1129083261.db2.gz MSRVGFGONKGQGJ-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO C[C@@]1(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556225779 1122881763 /nfs/dbraw/zinc/88/17/63/1122881763.db2.gz QBEFYUBHZXOWDJ-NSHGMRRFSA-N 1 2 336.414 3.817 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1CC ZINC000444958154 1122903107 /nfs/dbraw/zinc/90/31/07/1122903107.db2.gz JVWLFPJPJKOYDZ-KRWDZBQOSA-N 1 2 340.471 3.956 20 0 EHADLO COCc1ccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923841901 1122934789 /nfs/dbraw/zinc/93/47/89/1122934789.db2.gz UMUBIPGOMIGBAM-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000498558112 1122973536 /nfs/dbraw/zinc/97/35/36/1122973536.db2.gz RITZOFRJVXLWBM-DLBZAZTESA-N 1 2 329.488 3.905 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000010141882 1122981928 /nfs/dbraw/zinc/98/19/28/1122981928.db2.gz UTTMJPAQUIGQKF-HXUWFJFHSA-N 1 2 344.455 3.542 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000010141882 1122981931 /nfs/dbraw/zinc/98/19/31/1122981931.db2.gz UTTMJPAQUIGQKF-HXUWFJFHSA-N 1 2 344.455 3.542 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)c1C ZINC000130824504 1123006500 /nfs/dbraw/zinc/00/65/00/1123006500.db2.gz ZRGSNJVSZYLGTO-GOSISDBHSA-N 1 2 344.455 3.884 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)c1C ZINC000130824504 1123006505 /nfs/dbraw/zinc/00/65/05/1123006505.db2.gz ZRGSNJVSZYLGTO-GOSISDBHSA-N 1 2 344.455 3.884 20 0 EHADLO CCCc1noc(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1 ZINC000556533635 1123014214 /nfs/dbraw/zinc/01/42/14/1123014214.db2.gz GRBPSKMLUWKPDE-UHFFFAOYSA-N 1 2 348.878 3.696 20 0 EHADLO CCCc1noc(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1 ZINC000556533635 1123014218 /nfs/dbraw/zinc/01/42/18/1123014218.db2.gz GRBPSKMLUWKPDE-UHFFFAOYSA-N 1 2 348.878 3.696 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000071958746 1123029204 /nfs/dbraw/zinc/02/92/04/1123029204.db2.gz HJLYLTVCJGJJAS-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000071958746 1123029210 /nfs/dbraw/zinc/02/92/10/1123029210.db2.gz HJLYLTVCJGJJAS-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000556699811 1123088160 /nfs/dbraw/zinc/08/81/60/1123088160.db2.gz LDQXCQBEKSZYGH-ZBFHGGJFSA-N 1 2 331.847 3.757 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000131434495 1123105621 /nfs/dbraw/zinc/10/56/21/1123105621.db2.gz PQZKGQHGKJDALK-KZNAEPCWSA-N 1 2 329.488 3.996 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649213221 1123120935 /nfs/dbraw/zinc/12/09/35/1123120935.db2.gz JMYHISXSWCPEAW-DZKIICNBSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+](C)[C@@H](C)c3cc(F)ccc3F)cnc2n1 ZINC000131573269 1123141333 /nfs/dbraw/zinc/14/13/33/1123141333.db2.gz PJPQLNKQVNBDQG-ZDUSSCGKSA-N 1 2 330.382 3.817 20 0 EHADLO Cc1cc(C)n2c(C[N@H+](C)[C@@H](C)c3cc(F)ccc3F)cnc2n1 ZINC000131573269 1123141334 /nfs/dbraw/zinc/14/13/34/1123141334.db2.gz PJPQLNKQVNBDQG-ZDUSSCGKSA-N 1 2 330.382 3.817 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ncc(Br)cn1 ZINC000556907890 1123193554 /nfs/dbraw/zinc/19/35/54/1123193554.db2.gz FACUQHWCPXKEGN-LLVKDONJSA-N 1 2 343.228 3.638 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1nccs1 ZINC000132119989 1123203191 /nfs/dbraw/zinc/20/31/91/1123203191.db2.gz IDFIYTJNXAKDDT-VIFPVBQESA-N 1 2 329.878 3.707 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1nccs1 ZINC000132119989 1123203195 /nfs/dbraw/zinc/20/31/95/1123203195.db2.gz IDFIYTJNXAKDDT-VIFPVBQESA-N 1 2 329.878 3.707 20 0 EHADLO CCSCC[C@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000132151635 1123204920 /nfs/dbraw/zinc/20/49/20/1123204920.db2.gz RVURBHUZHFHDAG-LBPRGKRZSA-N 1 2 338.517 3.734 20 0 EHADLO CCSCC[C@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000132151635 1123204922 /nfs/dbraw/zinc/20/49/22/1123204922.db2.gz RVURBHUZHFHDAG-LBPRGKRZSA-N 1 2 338.517 3.734 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000073628737 1123212998 /nfs/dbraw/zinc/21/29/98/1123212998.db2.gz IWDWJJONMIHYQO-FQEVSTJZSA-N 1 2 340.471 3.653 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H](CC1CCCC1)c1ccccc1 ZINC000132322978 1123219212 /nfs/dbraw/zinc/21/92/12/1123219212.db2.gz RYTKBYZBIZFMSK-GOSISDBHSA-N 1 2 326.444 3.504 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000132455393 1123230821 /nfs/dbraw/zinc/23/08/21/1123230821.db2.gz WKSKYFPABPSNSR-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000132455393 1123230825 /nfs/dbraw/zinc/23/08/25/1123230825.db2.gz WKSKYFPABPSNSR-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000919946591 1123241415 /nfs/dbraw/zinc/24/14/15/1123241415.db2.gz DQCQQQQGFNDQEB-CYBMUJFWSA-N 1 2 339.892 3.821 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000919946591 1123241417 /nfs/dbraw/zinc/24/14/17/1123241417.db2.gz DQCQQQQGFNDQEB-CYBMUJFWSA-N 1 2 339.892 3.821 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc2ccccc2c1 ZINC000920769044 1123422408 /nfs/dbraw/zinc/42/24/08/1123422408.db2.gz YFXMOZMJIQPLQL-IBGZPJMESA-N 1 2 335.451 3.810 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000920768507 1123422584 /nfs/dbraw/zinc/42/25/84/1123422584.db2.gz RXFWESRKGKZGIA-HWYHOQROSA-N 1 2 331.847 3.781 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)cc1F ZINC000075997180 1123450737 /nfs/dbraw/zinc/45/07/37/1123450737.db2.gz WBCQMQFBWKSYSQ-NSHDSACASA-N 1 2 332.341 3.735 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)ccc1Cl ZINC000076527041 1123499347 /nfs/dbraw/zinc/49/93/47/1123499347.db2.gz VZVCWRFGFVYVNZ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1nc2c(s1)CCC2 ZINC000134726893 1123548109 /nfs/dbraw/zinc/54/81/09/1123548109.db2.gz NWTPYLHXLDQOKL-JTQLQIEISA-N 1 2 332.860 3.784 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000134849543 1123557301 /nfs/dbraw/zinc/55/73/01/1123557301.db2.gz QAWMSDFHOGYCJO-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000542622307 1123641798 /nfs/dbraw/zinc/64/17/98/1123641798.db2.gz KLYOYOIPPQLLES-SOLBZPMBSA-N 1 2 343.471 3.906 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccccc1NCCC1=CCCCC1 ZINC000135884698 1123651178 /nfs/dbraw/zinc/65/11/78/1123651178.db2.gz ATRMZKZILHQPJH-UHFFFAOYSA-N 1 2 338.455 3.616 20 0 EHADLO O=C(CCC(=O)c1cccs1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079217467 1123679133 /nfs/dbraw/zinc/67/91/33/1123679133.db2.gz QOFQNZOHAKOVSI-UHFFFAOYSA-N 1 2 325.393 3.535 20 0 EHADLO COc1ccc(SCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000079219628 1123679306 /nfs/dbraw/zinc/67/93/06/1123679306.db2.gz NIOJQWNGSDUEJI-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)s1 ZINC000175520351 1123704439 /nfs/dbraw/zinc/70/44/39/1123704439.db2.gz ANGAMWYDKFZADY-UHFFFAOYSA-N 1 2 343.496 3.574 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)s1 ZINC000175520351 1123704445 /nfs/dbraw/zinc/70/44/45/1123704445.db2.gz ANGAMWYDKFZADY-UHFFFAOYSA-N 1 2 343.496 3.574 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574648 1123848984 /nfs/dbraw/zinc/84/89/84/1123848984.db2.gz OKCCHPAHXKVDMS-YJYMSZOUSA-N 1 2 344.842 3.980 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574648 1123848988 /nfs/dbraw/zinc/84/89/88/1123848988.db2.gz OKCCHPAHXKVDMS-YJYMSZOUSA-N 1 2 344.842 3.980 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C/c2ccc(F)cc2)c1C ZINC000081616932 1123860827 /nfs/dbraw/zinc/86/08/27/1123860827.db2.gz VVRFRVJOSXSQFO-AATRIKPKSA-N 1 2 342.414 3.908 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C/c2ccsc2)[nH+]1 ZINC000068373439 1123928617 /nfs/dbraw/zinc/92/86/17/1123928617.db2.gz HEFGEBFEWZRUHH-BQYQJAHWSA-N 1 2 331.437 3.657 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616095983 1123942567 /nfs/dbraw/zinc/94/25/67/1123942567.db2.gz NDEXTZOVMZOKMC-WJFTUGDTSA-N 1 2 337.467 3.614 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245879717 1123968398 /nfs/dbraw/zinc/96/83/98/1123968398.db2.gz HZRIDXHJAQBVTA-UPJWGTAASA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245879717 1123968401 /nfs/dbraw/zinc/96/84/01/1123968401.db2.gz HZRIDXHJAQBVTA-UPJWGTAASA-N 1 2 339.277 3.754 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C)cc1 ZINC000338801443 1129161107 /nfs/dbraw/zinc/16/11/07/1129161107.db2.gz JPOKXITULRPXIB-QGZVFWFLSA-N 1 2 326.444 3.758 20 0 EHADLO COCCOCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000180623703 1124036845 /nfs/dbraw/zinc/03/68/45/1124036845.db2.gz CUVZMMNNOIETOT-UHFFFAOYSA-N 1 2 349.858 3.711 20 0 EHADLO COCCOCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000180623703 1124036851 /nfs/dbraw/zinc/03/68/51/1124036851.db2.gz CUVZMMNNOIETOT-UHFFFAOYSA-N 1 2 349.858 3.711 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2F)c1C ZINC000068862381 1124038979 /nfs/dbraw/zinc/03/89/79/1124038979.db2.gz JFLWHZVZVNIBEJ-AWEZNQCLSA-N 1 2 344.430 3.719 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2F)c1C ZINC000068862381 1124038983 /nfs/dbraw/zinc/03/89/83/1124038983.db2.gz JFLWHZVZVNIBEJ-AWEZNQCLSA-N 1 2 344.430 3.719 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1c(=O)sc2c1CCCC2 ZINC000068880015 1124042900 /nfs/dbraw/zinc/04/29/00/1124042900.db2.gz BBULIHDYXKNYNF-OAHLLOKOSA-N 1 2 344.480 3.592 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cn1c(=O)sc2c1CCCC2 ZINC000068880015 1124042906 /nfs/dbraw/zinc/04/29/06/1124042906.db2.gz BBULIHDYXKNYNF-OAHLLOKOSA-N 1 2 344.480 3.592 20 0 EHADLO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543052860 1129165806 /nfs/dbraw/zinc/16/58/06/1129165806.db2.gz VNVDFZLWEWIHMI-ROUUACIJSA-N 1 2 332.492 3.664 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000085986895 1129176918 /nfs/dbraw/zinc/17/69/18/1129176918.db2.gz AMRDJTWIWUBJBX-UHFFFAOYSA-N 1 2 339.829 3.616 20 0 EHADLO CC(C)Oc1ccc(F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001212308398 1124599930 /nfs/dbraw/zinc/59/99/30/1124599930.db2.gz XWFACPSTTQBJDK-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000247782671 1124626867 /nfs/dbraw/zinc/62/68/67/1124626867.db2.gz UFHKDMNTGXXKIZ-MOPGFXCFSA-N 1 2 348.849 3.641 20 0 EHADLO C[N@H+]1CCO[C@@H]([C@@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000247782671 1124626870 /nfs/dbraw/zinc/62/68/70/1124626870.db2.gz UFHKDMNTGXXKIZ-MOPGFXCFSA-N 1 2 348.849 3.641 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000248590834 1124677883 /nfs/dbraw/zinc/67/78/83/1124677883.db2.gz RSNCXKZRZYHWPM-GVDBMIGSSA-N 1 2 332.488 3.583 20 0 EHADLO C[C@H](CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1)n1cc[nH+]c1 ZINC000617611318 1124691653 /nfs/dbraw/zinc/69/16/53/1124691653.db2.gz UQUFAUAQVOXCKM-LLVKDONJSA-N 1 2 338.238 3.726 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000248821923 1124703482 /nfs/dbraw/zinc/70/34/82/1124703482.db2.gz JCRGAONCQBQEMC-GVDBMIGSSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(C2CC2)[nH+]1 ZINC000734834778 1131284481 /nfs/dbraw/zinc/28/44/81/1131284481.db2.gz IIIADZNKBDKWSA-UHFFFAOYSA-N 1 2 336.439 3.511 20 0 EHADLO CC(C)(C)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000734862227 1131288173 /nfs/dbraw/zinc/28/81/73/1131288173.db2.gz QXXASECDOMZIJC-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388738 1124803006 /nfs/dbraw/zinc/80/30/06/1124803006.db2.gz RWYXUAQDXVSAAU-DGCLKSJQSA-N 1 2 338.427 3.724 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388738 1124803013 /nfs/dbraw/zinc/80/30/13/1124803013.db2.gz RWYXUAQDXVSAAU-DGCLKSJQSA-N 1 2 338.427 3.724 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388755 1124803257 /nfs/dbraw/zinc/80/32/57/1124803257.db2.gz RWYXUAQDXVSAAU-WCQYABFASA-N 1 2 338.427 3.724 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388755 1124803261 /nfs/dbraw/zinc/80/32/61/1124803261.db2.gz RWYXUAQDXVSAAU-WCQYABFASA-N 1 2 338.427 3.724 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388771 1124803438 /nfs/dbraw/zinc/80/34/38/1124803438.db2.gz RWYXUAQDXVSAAU-YPMHNXCESA-N 1 2 338.427 3.724 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388771 1124803444 /nfs/dbraw/zinc/80/34/44/1124803444.db2.gz RWYXUAQDXVSAAU-YPMHNXCESA-N 1 2 338.427 3.724 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC4(CCCC4)[C@H]3c3ccco3)ccn12 ZINC000617920462 1124838252 /nfs/dbraw/zinc/83/82/52/1124838252.db2.gz CMFCGTFNDOQGQP-GOSISDBHSA-N 1 2 335.407 3.993 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161679 1124962041 /nfs/dbraw/zinc/96/20/41/1124962041.db2.gz VXNHSTIQOKIAAB-CABCVRRESA-N 1 2 326.843 3.777 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161679 1124962048 /nfs/dbraw/zinc/96/20/48/1124962048.db2.gz VXNHSTIQOKIAAB-CABCVRRESA-N 1 2 326.843 3.777 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCc1nc2ccccc2s1)c1ccccc1 ZINC000181976966 1125102196 /nfs/dbraw/zinc/10/21/96/1125102196.db2.gz MNTOSTYMTGGUFE-KRWDZBQOSA-N 1 2 326.421 3.642 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000735308751 1131334618 /nfs/dbraw/zinc/33/46/18/1131334618.db2.gz REFRVPUDLCHTPN-UHFFFAOYSA-N 1 2 348.446 3.953 20 0 EHADLO COc1ccc[nH+]c1NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000763507167 1125213547 /nfs/dbraw/zinc/21/35/47/1125213547.db2.gz OBLAVJVSKWKEPI-UHFFFAOYSA-N 1 2 335.448 3.539 20 0 EHADLO C[C@@H]1CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H](C)O1 ZINC000094071580 1125330652 /nfs/dbraw/zinc/33/06/52/1125330652.db2.gz LAJWYGWXPXVDBL-VXGBXAGGSA-N 1 2 333.819 3.668 20 0 EHADLO O=C(NCCCC1CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152682059 1125368957 /nfs/dbraw/zinc/36/89/57/1125368957.db2.gz VMIZKSWAVNHTSV-RTBURBONSA-N 1 2 338.455 3.601 20 0 EHADLO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ncccc3F)o2)cc1 ZINC000152792675 1125381287 /nfs/dbraw/zinc/38/12/87/1125381287.db2.gz RYQWSGCWGYAEIQ-UHFFFAOYSA-N 1 2 340.354 3.557 20 0 EHADLO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000649700681 1125403598 /nfs/dbraw/zinc/40/35/98/1125403598.db2.gz KBBXILQLAZGBIM-RDJZCZTQSA-N 1 2 329.444 3.611 20 0 EHADLO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000649700681 1125403599 /nfs/dbraw/zinc/40/35/99/1125403599.db2.gz KBBXILQLAZGBIM-RDJZCZTQSA-N 1 2 329.444 3.611 20 0 EHADLO C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)CC1 ZINC000619955292 1125435689 /nfs/dbraw/zinc/43/56/89/1125435689.db2.gz ZCNMJUCYNJDQHA-OBHHBEAMSA-N 1 2 343.446 3.965 20 0 EHADLO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)cc(F)c1O ZINC000186515542 1129300126 /nfs/dbraw/zinc/30/01/26/1129300126.db2.gz PMNXTVJGZRKINR-PWSUYJOCSA-N 1 2 346.240 3.904 20 0 EHADLO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000922219254 1129373045 /nfs/dbraw/zinc/37/30/45/1129373045.db2.gz SGLKTYMLBYPXGD-HXUWFJFHSA-N 1 2 346.478 3.768 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000735671208 1131371990 /nfs/dbraw/zinc/37/19/90/1131371990.db2.gz CAKZYAZHZZVTNZ-KRWDZBQOSA-N 1 2 331.481 3.685 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000735671208 1131371992 /nfs/dbraw/zinc/37/19/92/1131371992.db2.gz CAKZYAZHZZVTNZ-KRWDZBQOSA-N 1 2 331.481 3.685 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717619 1129411922 /nfs/dbraw/zinc/41/19/22/1129411922.db2.gz BJMUJDYSOBVORJ-CQSZACIVSA-N 1 2 348.874 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717619 1129411924 /nfs/dbraw/zinc/41/19/24/1129411924.db2.gz BJMUJDYSOBVORJ-CQSZACIVSA-N 1 2 348.874 3.502 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000081316050 1129413028 /nfs/dbraw/zinc/41/30/28/1129413028.db2.gz OBUMENZZCFADFJ-GOSISDBHSA-N 1 2 344.418 3.615 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000069086351 1129422011 /nfs/dbraw/zinc/42/20/11/1129422011.db2.gz VWKVUIXWSSPJGA-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000069086351 1129422014 /nfs/dbraw/zinc/42/20/14/1129422014.db2.gz VWKVUIXWSSPJGA-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO CC(C)(C)CCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470852 1129444938 /nfs/dbraw/zinc/44/49/38/1129444938.db2.gz AKZJEALOHDECBP-UHFFFAOYSA-N 1 2 337.533 3.824 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cc1Br)CO2 ZINC000466449141 1129458377 /nfs/dbraw/zinc/45/83/77/1129458377.db2.gz LGQNVSIUWCGPEO-AWEZNQCLSA-N 1 2 340.167 3.951 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)[C@H]2C[C@H]21 ZINC001168723007 1129471714 /nfs/dbraw/zinc/47/17/14/1129471714.db2.gz XPHYTPREHPARRY-XOKHGSTOSA-N 1 2 348.874 3.501 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)[C@H]2C[C@H]21 ZINC001168723007 1129471717 /nfs/dbraw/zinc/47/17/17/1129471717.db2.gz XPHYTPREHPARRY-XOKHGSTOSA-N 1 2 348.874 3.501 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000118421433 1129508348 /nfs/dbraw/zinc/50/83/48/1129508348.db2.gz FNBWYUMLHSGYMI-AUUYWEPGSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000118421433 1129508349 /nfs/dbraw/zinc/50/83/49/1129508349.db2.gz FNBWYUMLHSGYMI-AUUYWEPGSA-N 1 2 344.455 3.943 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc(C(F)(F)F)s2)c1 ZINC000428856599 1129539039 /nfs/dbraw/zinc/53/90/39/1129539039.db2.gz MPGCXFPOILUWNW-UHFFFAOYSA-N 1 2 348.415 4.000 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3nc4c(s3)CCC4)sc2c1 ZINC000922471616 1129544998 /nfs/dbraw/zinc/54/49/98/1129544998.db2.gz XIJHVKLULOAFPJ-UHFFFAOYSA-N 1 2 331.466 3.540 20 0 EHADLO CC(C)COc1ccccc1C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922487710 1129550166 /nfs/dbraw/zinc/55/01/66/1129550166.db2.gz VEKKZRPIMPQIHJ-UHFFFAOYSA-N 1 2 333.501 3.529 20 0 EHADLO COc1ccc2ccccc2c1C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922490824 1129553031 /nfs/dbraw/zinc/55/30/31/1129553031.db2.gz VFQRJEZYHFFESR-UHFFFAOYSA-N 1 2 341.480 3.656 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(-c2cccs2)n1 ZINC000922521108 1129561023 /nfs/dbraw/zinc/56/10/23/1129561023.db2.gz SNCSYTMJLGSCJK-KBXCAEBGSA-N 1 2 343.427 3.710 20 0 EHADLO COc1nccc(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)n1 ZINC000922669685 1129620691 /nfs/dbraw/zinc/62/06/91/1129620691.db2.gz LVLIMBPICFCZJH-QMMMGPOBSA-N 1 2 330.190 3.782 20 0 EHADLO Cc1cccc2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)sc21 ZINC000673607737 1129622993 /nfs/dbraw/zinc/62/29/93/1129622993.db2.gz OXIOJROKTBTOEH-OAHLLOKOSA-N 1 2 337.448 3.613 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC000922732336 1129646775 /nfs/dbraw/zinc/64/67/75/1129646775.db2.gz XIENOZJKGXJKLP-UHFFFAOYSA-N 1 2 327.472 3.768 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001168734114 1129649289 /nfs/dbraw/zinc/64/92/89/1129649289.db2.gz RRQOJOQSABJKPM-GJZGRUSLSA-N 1 2 347.422 3.536 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000922775775 1129657786 /nfs/dbraw/zinc/65/77/86/1129657786.db2.gz LMWWYXWIQNJSQM-TZMCWYRMSA-N 1 2 334.778 3.693 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)cc3C)CC2)o1 ZINC000428979574 1129660745 /nfs/dbraw/zinc/66/07/45/1129660745.db2.gz ROBUSOVWFTUPHZ-UHFFFAOYSA-N 1 2 347.890 3.825 20 0 EHADLO CCc1nc(C)c(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)o1 ZINC000428979574 1129660747 /nfs/dbraw/zinc/66/07/47/1129660747.db2.gz ROBUSOVWFTUPHZ-UHFFFAOYSA-N 1 2 347.890 3.825 20 0 EHADLO CCN(C(=O)CCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000347730522 1129661983 /nfs/dbraw/zinc/66/19/83/1129661983.db2.gz JYQBYHFXWCDLFI-SFHVURJKSA-N 1 2 331.435 3.528 20 0 EHADLO COc1ccncc1C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000428999163 1129683552 /nfs/dbraw/zinc/68/35/52/1129683552.db2.gz LLFNJHNLCZAKLZ-CYBMUJFWSA-N 1 2 349.837 3.593 20 0 EHADLO COc1ccncc1C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000428999163 1129683554 /nfs/dbraw/zinc/68/35/54/1129683554.db2.gz LLFNJHNLCZAKLZ-CYBMUJFWSA-N 1 2 349.837 3.593 20 0 EHADLO CCn1ncc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)n1 ZINC000922886393 1129725789 /nfs/dbraw/zinc/72/57/89/1129725789.db2.gz KTJPLOKYUXQRQG-QUCCMNQESA-N 1 2 334.423 3.653 20 0 EHADLO CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cn1 ZINC000347785885 1129777312 /nfs/dbraw/zinc/77/73/12/1129777312.db2.gz OMHPDAPZODTCGT-SFHVURJKSA-N 1 2 348.393 3.819 20 0 EHADLO CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cn1 ZINC000347785885 1129777316 /nfs/dbraw/zinc/77/73/16/1129777316.db2.gz OMHPDAPZODTCGT-SFHVURJKSA-N 1 2 348.393 3.819 20 0 EHADLO Fc1c(Br)ccc(C[NH+]2CCC3(CCOC3)CC2)c1F ZINC000625273169 1129796032 /nfs/dbraw/zinc/79/60/32/1129796032.db2.gz BJFQQSDHOSDGDQ-UHFFFAOYSA-N 1 2 346.215 3.730 20 0 EHADLO CCc1nc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cs1 ZINC000073884916 1129800878 /nfs/dbraw/zinc/80/08/78/1129800878.db2.gz QBWFHVDCCOGMOC-UHFFFAOYSA-N 1 2 344.267 3.741 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(Cl)cc(Cl)c3)[nH+]c12 ZINC000673723036 1129810796 /nfs/dbraw/zinc/81/07/96/1129810796.db2.gz MFJIHGPXDJPUBT-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc4ccccc4c3)[nH+]c12 ZINC000673725571 1129811791 /nfs/dbraw/zinc/81/17/91/1129811791.db2.gz PZFMZLLIMKHCKJ-UHFFFAOYSA-N 1 2 329.403 3.768 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)CCCC(C)C)[nH+]c12 ZINC000673767376 1129840169 /nfs/dbraw/zinc/84/01/69/1129840169.db2.gz GXXUOODCRNUHJD-INIZCTEOSA-N 1 2 330.476 3.699 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000673781122 1129842818 /nfs/dbraw/zinc/84/28/18/1129842818.db2.gz MASXHLGUYKQWND-HOCLYGCPSA-N 1 2 342.487 3.794 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)n1 ZINC000347811450 1129859370 /nfs/dbraw/zinc/85/93/70/1129859370.db2.gz BIIAXZISSMXMGK-CYBMUJFWSA-N 1 2 340.452 3.850 20 0 EHADLO CC1(C)C[N@H+](Cc2coc(-c3ccccc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000625433191 1129869381 /nfs/dbraw/zinc/86/93/81/1129869381.db2.gz RDYGLWGVGZBPCI-SJORKVTESA-N 1 2 330.403 3.870 20 0 EHADLO CC1(C)C[N@@H+](Cc2coc(-c3ccccc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000625433191 1129869383 /nfs/dbraw/zinc/86/93/83/1129869383.db2.gz RDYGLWGVGZBPCI-SJORKVTESA-N 1 2 330.403 3.870 20 0 EHADLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282460415 1129895047 /nfs/dbraw/zinc/89/50/47/1129895047.db2.gz WBGTZXZLVXMZDU-KRWDZBQOSA-N 1 2 348.450 3.721 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001212517697 1129936708 /nfs/dbraw/zinc/93/67/08/1129936708.db2.gz LCJPKBWEHARJIX-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO COc1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc(OC)c1O ZINC000347861837 1129938953 /nfs/dbraw/zinc/93/89/53/1129938953.db2.gz KUHAVCOCSWOFTB-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc(OC)c1O ZINC000347861837 1129938954 /nfs/dbraw/zinc/93/89/54/1129938954.db2.gz KUHAVCOCSWOFTB-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012999 1129959854 /nfs/dbraw/zinc/95/98/54/1129959854.db2.gz IUYBMBBABGNHTB-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012999 1129959858 /nfs/dbraw/zinc/95/98/58/1129959858.db2.gz IUYBMBBABGNHTB-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1sc(NC(=O)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(C)c1C ZINC000625646877 1129964895 /nfs/dbraw/zinc/96/48/95/1129964895.db2.gz CIEOAEVRJJNBQW-UWVGGRQHSA-N 1 2 330.444 3.835 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625647162 1129965082 /nfs/dbraw/zinc/96/50/82/1129965082.db2.gz LYNJPBZPAWPVKU-GMTAPVOTSA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H](C)C1(F)F ZINC000625647733 1129966022 /nfs/dbraw/zinc/96/60/22/1129966022.db2.gz HIKZDVJSJNHFHA-NXEZZACHSA-N 1 2 334.769 3.641 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625654706 1129967165 /nfs/dbraw/zinc/96/71/65/1129967165.db2.gz PSQZDTXOTLTVPY-VXGBXAGGSA-N 1 2 325.378 3.918 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559326 1129973557 /nfs/dbraw/zinc/97/35/57/1129973557.db2.gz QNFOQXIEGIBZAI-QFIPXVFZSA-N 1 2 347.462 3.706 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559326 1129973561 /nfs/dbraw/zinc/97/35/61/1129973561.db2.gz QNFOQXIEGIBZAI-QFIPXVFZSA-N 1 2 347.462 3.706 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCC1 ZINC000674091540 1130001374 /nfs/dbraw/zinc/00/13/74/1130001374.db2.gz OZDWBJVFTRFADX-INIZCTEOSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573199 1130037917 /nfs/dbraw/zinc/03/79/17/1130037917.db2.gz BMGRVUQPYHGBTB-LBPRGKRZSA-N 1 2 331.391 3.691 20 0 EHADLO C[C@@]1(CCc2ccccc2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000674357194 1130073445 /nfs/dbraw/zinc/07/34/45/1130073445.db2.gz GYJYQNGTYGKXNV-HXUWFJFHSA-N 1 2 325.456 3.535 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000171915958 1130097646 /nfs/dbraw/zinc/09/76/46/1130097646.db2.gz BFUFWIDOMYRCKN-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000171915958 1130097653 /nfs/dbraw/zinc/09/76/53/1130097653.db2.gz BFUFWIDOMYRCKN-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]2CCCO2)c1 ZINC000172012810 1130100478 /nfs/dbraw/zinc/10/04/78/1130100478.db2.gz PPWYNHBUZKQSFY-HXUWFJFHSA-N 1 2 343.471 3.654 20 0 EHADLO COc1cccc(C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]2CCCO2)c1 ZINC000172012810 1130100480 /nfs/dbraw/zinc/10/04/80/1130100480.db2.gz PPWYNHBUZKQSFY-HXUWFJFHSA-N 1 2 343.471 3.654 20 0 EHADLO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc2[nH+]ccn2c1 ZINC000674569054 1130134846 /nfs/dbraw/zinc/13/48/46/1130134846.db2.gz RDMNDABZQCNHMS-NEPJUHHUSA-N 1 2 340.349 3.825 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@@H]3C[C@@H](C)n4ncnc43)c(C)c2c1 ZINC000658101641 1130158889 /nfs/dbraw/zinc/15/88/89/1130158889.db2.gz MIWUPIHRBUYMKQ-IFUGULHKSA-N 1 2 326.400 3.698 20 0 EHADLO Fc1ccc2oc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)nc2c1 ZINC000674908949 1130222524 /nfs/dbraw/zinc/22/25/24/1130222524.db2.gz KAVXZPQTSXRFSL-KRWDZBQOSA-N 1 2 336.370 3.695 20 0 EHADLO c1oc(-c2ccccc2)nc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675024061 1130243036 /nfs/dbraw/zinc/24/30/36/1130243036.db2.gz QLVHSKADXBMPLL-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO Cc1cccn2cc(CCNC(=O)NC(C)(C)CC(C)(C)C)[nH+]c12 ZINC000675107127 1130255294 /nfs/dbraw/zinc/25/52/94/1130255294.db2.gz BSYHTVTYYKEHAO-UHFFFAOYSA-N 1 2 330.476 3.699 20 0 EHADLO CC[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccn1 ZINC000675124774 1130256929 /nfs/dbraw/zinc/25/69/29/1130256929.db2.gz CXKOKFFVXOZFDU-UHFFFAOYSA-N 1 2 345.244 3.514 20 0 EHADLO CC[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccn1 ZINC000675124774 1130256933 /nfs/dbraw/zinc/25/69/33/1130256933.db2.gz CXKOKFFVXOZFDU-UHFFFAOYSA-N 1 2 345.244 3.514 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(Cc2ccccc2)CCC1 ZINC000675132165 1130263754 /nfs/dbraw/zinc/26/37/54/1130263754.db2.gz XDDJFDDMIGRTOD-UHFFFAOYSA-N 1 2 334.463 3.531 20 0 EHADLO Cc1nccc([C@H]2CCC[N@H+](Cc3nc(Cl)ccc3Cl)C2)n1 ZINC000766109275 1130322585 /nfs/dbraw/zinc/32/25/85/1130322585.db2.gz JVDMKWJHZCPEPU-LBPRGKRZSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@H]2CCC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)n1 ZINC000766109275 1130322592 /nfs/dbraw/zinc/32/25/92/1130322592.db2.gz JVDMKWJHZCPEPU-LBPRGKRZSA-N 1 2 337.254 3.866 20 0 EHADLO CN(C)c1ccccc1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429249753 1130358387 /nfs/dbraw/zinc/35/83/87/1130358387.db2.gz CKGCCHYNXSXIDQ-UHFFFAOYSA-N 1 2 327.350 3.784 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000675570353 1130427238 /nfs/dbraw/zinc/42/72/38/1130427238.db2.gz JXMNBVFHEBDNHV-UHFFFAOYSA-N 1 2 329.831 3.786 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675625759 1130433728 /nfs/dbraw/zinc/43/37/28/1130433728.db2.gz OPRWWLFDBWLMLF-INIZCTEOSA-N 1 2 328.460 3.582 20 0 EHADLO Cc1occc1C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000675779652 1130470851 /nfs/dbraw/zinc/47/08/51/1130470851.db2.gz NEXWBHLHBYTTRK-LLVKDONJSA-N 1 2 330.819 3.981 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000675780739 1130471829 /nfs/dbraw/zinc/47/18/29/1130471829.db2.gz NYONDEJEAFUOJD-GFCCVEGCSA-N 1 2 327.409 3.751 20 0 EHADLO COc1ccc(C([NH2+][C@H](C)c2cnccn2)c2ccc(OC)cc2)cc1 ZINC000675773389 1130474864 /nfs/dbraw/zinc/47/48/64/1130474864.db2.gz OABVSEJIULQVSD-OAHLLOKOSA-N 1 2 349.434 3.934 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000675773323 1130474971 /nfs/dbraw/zinc/47/49/71/1130474971.db2.gz KKUACZCYITUYSI-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO CC(C)[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)Cc1ccccc1 ZINC000675957851 1130509887 /nfs/dbraw/zinc/50/98/87/1130509887.db2.gz QVRIXXVYAMYVMH-UXHICEINSA-N 1 2 334.467 3.999 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(OCC(F)(F)F)c1 ZINC000676321919 1130561483 /nfs/dbraw/zinc/56/14/83/1130561483.db2.gz QKRMRWLWEULODF-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO Cc1cc2cc(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)oc2cc1C ZINC000535275903 1130587857 /nfs/dbraw/zinc/58/78/57/1130587857.db2.gz NTHAYJKWRXZFGW-SFHVURJKSA-N 1 2 334.419 3.966 20 0 EHADLO Cc1cc2cc(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)oc2cc1C ZINC000535275903 1130587859 /nfs/dbraw/zinc/58/78/59/1130587859.db2.gz NTHAYJKWRXZFGW-SFHVURJKSA-N 1 2 334.419 3.966 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccc(Br)cc2F)C1 ZINC000536023501 1130590687 /nfs/dbraw/zinc/59/06/87/1130590687.db2.gz QNILGOHZKXGJRM-QGZVFWFLSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccc(Br)cc2F)C1 ZINC000536023501 1130590691 /nfs/dbraw/zinc/59/06/91/1130590691.db2.gz QNILGOHZKXGJRM-QGZVFWFLSA-N 1 2 349.247 3.865 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3[C@H](C)C2)C1 ZINC000728041797 1130620186 /nfs/dbraw/zinc/62/01/86/1130620186.db2.gz QFLOEGSUTKBQNL-UONOGXRCSA-N 1 2 328.481 3.611 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3[C@H](C)C2)C1 ZINC000728041797 1130620191 /nfs/dbraw/zinc/62/01/91/1130620191.db2.gz QFLOEGSUTKBQNL-UONOGXRCSA-N 1 2 328.481 3.611 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(-c2sccc2C)oc1=S ZINC000730253826 1130691506 /nfs/dbraw/zinc/69/15/06/1130691506.db2.gz XFQMUIZSZULBFC-UHFFFAOYSA-N 1 2 341.502 3.804 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(-c2sccc2C)oc1=S ZINC000730253826 1130691508 /nfs/dbraw/zinc/69/15/08/1130691508.db2.gz XFQMUIZSZULBFC-UHFFFAOYSA-N 1 2 341.502 3.804 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)Cn1c(-c2ccccn2)csc1=O ZINC000731659033 1130824287 /nfs/dbraw/zinc/82/42/87/1130824287.db2.gz MGDUGMGVOGLEMI-UHFFFAOYSA-N 1 2 345.493 3.901 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)Cn1c(-c2ccccn2)csc1=O ZINC000731659033 1130824290 /nfs/dbraw/zinc/82/42/90/1130824290.db2.gz MGDUGMGVOGLEMI-UHFFFAOYSA-N 1 2 345.493 3.901 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2ccc(-c3ccsc3)n2)cc1F ZINC000731657126 1130824774 /nfs/dbraw/zinc/82/47/74/1130824774.db2.gz BOMICCHVUBBNQP-UHFFFAOYSA-N 1 2 331.416 3.849 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2ccc(-c3ccsc3)n2)cc1F ZINC000731657126 1130824779 /nfs/dbraw/zinc/82/47/79/1130824779.db2.gz BOMICCHVUBBNQP-UHFFFAOYSA-N 1 2 331.416 3.849 20 0 EHADLO C/C(=C/C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000732060934 1130882432 /nfs/dbraw/zinc/88/24/32/1130882432.db2.gz CIITVQQXZWNVSE-OOXMNIKJSA-N 1 2 329.419 3.657 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2ccc(Br)cn2)n1 ZINC000733798313 1131083347 /nfs/dbraw/zinc/08/33/47/1131083347.db2.gz OXZRVYZWNHRPKJ-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1c(C)nn(C)c1C ZINC000347949052 1131101302 /nfs/dbraw/zinc/10/13/02/1131101302.db2.gz APNGHLYOJZWOPD-XJKSGUPXSA-N 1 2 339.443 3.889 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347959179 1131105889 /nfs/dbraw/zinc/10/58/89/1131105889.db2.gz OXOVLLBCHGZRRN-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000347959179 1131105895 /nfs/dbraw/zinc/10/58/95/1131105895.db2.gz OXOVLLBCHGZRRN-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c1C ZINC000734009268 1131182975 /nfs/dbraw/zinc/18/29/75/1131182975.db2.gz NGBHYTRKLSLWCH-XJKSGUPXSA-N 1 2 333.476 3.723 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)occ1O ZINC000736309660 1131414970 /nfs/dbraw/zinc/41/49/70/1131414970.db2.gz DELWTLJFHLHWAR-AWEZNQCLSA-N 1 2 339.313 3.701 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)occ1O ZINC000736309660 1131414972 /nfs/dbraw/zinc/41/49/72/1131414972.db2.gz DELWTLJFHLHWAR-AWEZNQCLSA-N 1 2 339.313 3.701 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC/C=C\c1ccccc1 ZINC000737806183 1131455809 /nfs/dbraw/zinc/45/58/09/1131455809.db2.gz JEPJRYNDLRVTKM-RLGIIYIFSA-N 1 2 325.456 3.908 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000738305676 1131467282 /nfs/dbraw/zinc/46/72/82/1131467282.db2.gz SOODGJGBCOSSEB-KRWDZBQOSA-N 1 2 349.837 3.716 20 0 EHADLO CCc1ccc(CN2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)s1 ZINC000738880832 1131486884 /nfs/dbraw/zinc/48/68/84/1131486884.db2.gz DTIRZBWUZWMNBD-GFCCVEGCSA-N 1 2 333.328 3.622 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C(=O)OC[C@@H]2Cc2ccccc2)s1 ZINC000739854257 1131511879 /nfs/dbraw/zinc/51/18/79/1131511879.db2.gz STKUDKVUAGAVKL-INIZCTEOSA-N 1 2 330.453 3.509 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C(=O)OC[C@@H]2Cc2ccccc2)s1 ZINC000739854257 1131511883 /nfs/dbraw/zinc/51/18/83/1131511883.db2.gz STKUDKVUAGAVKL-INIZCTEOSA-N 1 2 330.453 3.509 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860952 1131553567 /nfs/dbraw/zinc/55/35/67/1131553567.db2.gz SPDQXPOTPMJZFL-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860952 1131553572 /nfs/dbraw/zinc/55/35/72/1131553572.db2.gz SPDQXPOTPMJZFL-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000740986335 1131563902 /nfs/dbraw/zinc/56/39/02/1131563902.db2.gz FUPBCAJFSVUWRK-HLIPFELVSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000740986335 1131563906 /nfs/dbraw/zinc/56/39/06/1131563906.db2.gz FUPBCAJFSVUWRK-HLIPFELVSA-N 1 2 345.483 3.572 20 0 EHADLO Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC000741031469 1131567335 /nfs/dbraw/zinc/56/73/35/1131567335.db2.gz RCYYYIWBGGADIK-DLBZAZTESA-N 1 2 331.456 3.682 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741146212 1131583281 /nfs/dbraw/zinc/58/32/81/1131583281.db2.gz DOWOVYJYNWUKAJ-AWEZNQCLSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741146212 1131583284 /nfs/dbraw/zinc/58/32/84/1131583284.db2.gz DOWOVYJYNWUKAJ-AWEZNQCLSA-N 1 2 334.803 3.523 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C ZINC000741148447 1131584088 /nfs/dbraw/zinc/58/40/88/1131584088.db2.gz QHRQPLOLFZKEPR-SFHVURJKSA-N 1 2 331.456 3.732 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C ZINC000741148447 1131584091 /nfs/dbraw/zinc/58/40/91/1131584091.db2.gz QHRQPLOLFZKEPR-SFHVURJKSA-N 1 2 331.456 3.732 20 0 EHADLO O=C(OCc1ccccc1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741354484 1131598634 /nfs/dbraw/zinc/59/86/34/1131598634.db2.gz RSYPAJIAXPUCEB-LJQANCHMSA-N 1 2 327.399 3.924 20 0 EHADLO O=C(OCc1ccccc1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741354484 1131598637 /nfs/dbraw/zinc/59/86/37/1131598637.db2.gz RSYPAJIAXPUCEB-LJQANCHMSA-N 1 2 327.399 3.924 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783163 1131647218 /nfs/dbraw/zinc/64/72/18/1131647218.db2.gz JZGOKDZFUVYLPD-DZGCQCFKSA-N 1 2 346.377 3.983 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783163 1131647219 /nfs/dbraw/zinc/64/72/19/1131647219.db2.gz JZGOKDZFUVYLPD-DZGCQCFKSA-N 1 2 346.377 3.983 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)[nH]1 ZINC000742153002 1131694055 /nfs/dbraw/zinc/69/40/55/1131694055.db2.gz QAYOWWOHJDCPJK-HNNXBMFYSA-N 1 2 330.501 3.760 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)[nH]1 ZINC000742153002 1131694059 /nfs/dbraw/zinc/69/40/59/1131694059.db2.gz QAYOWWOHJDCPJK-HNNXBMFYSA-N 1 2 330.501 3.760 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)C1CCCCC1 ZINC000742237668 1131699523 /nfs/dbraw/zinc/69/95/23/1131699523.db2.gz NWTAEISBDWONNU-AWEZNQCLSA-N 1 2 330.463 3.781 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)C1CCCCC1 ZINC000742237668 1131699527 /nfs/dbraw/zinc/69/95/27/1131699527.db2.gz NWTAEISBDWONNU-AWEZNQCLSA-N 1 2 330.463 3.781 20 0 EHADLO CCOc1ccccc1OCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000742354526 1131708900 /nfs/dbraw/zinc/70/89/00/1131708900.db2.gz PMGSXZGVHWZCKA-UHFFFAOYSA-N 1 2 348.830 3.859 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(-c4ccccc4)n3)cc2)C1 ZINC001212666492 1131763295 /nfs/dbraw/zinc/76/32/95/1131763295.db2.gz RCMMVQZVGJNZSO-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172571473 1131777383 /nfs/dbraw/zinc/77/73/83/1131777383.db2.gz OFVKMSLDTHYHEI-GWCFXTLKSA-N 1 2 333.781 3.942 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172571473 1131777387 /nfs/dbraw/zinc/77/73/87/1131777387.db2.gz OFVKMSLDTHYHEI-GWCFXTLKSA-N 1 2 333.781 3.942 20 0 EHADLO CCCc1onc(C)c1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212669667 1131778375 /nfs/dbraw/zinc/77/83/75/1131778375.db2.gz KLWSGAYPZMIHSW-UHFFFAOYSA-N 1 2 335.367 3.838 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cc4cccnc4)cc3)cc2)C1 ZINC001212671836 1131784876 /nfs/dbraw/zinc/78/48/76/1131784876.db2.gz XYSNASLBGXXILP-UHFFFAOYSA-N 1 2 345.446 3.593 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172709997 1131832463 /nfs/dbraw/zinc/83/24/63/1131832463.db2.gz ACZBIYFMGDDOSR-ICSRJNTNSA-N 1 2 343.854 3.571 20 0 EHADLO Cc1ccc2c(c1)C[C@@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)CC2 ZINC001172837517 1131858960 /nfs/dbraw/zinc/85/89/60/1131858960.db2.gz GTKFOFKLYFWRFU-OALUTQOASA-N 1 2 334.454 3.658 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1Cl)C1CCCC1 ZINC001172861200 1131878870 /nfs/dbraw/zinc/87/88/70/1131878870.db2.gz QGODSUJOUIHKOY-BZNIZROVSA-N 1 2 327.827 3.732 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2cccc(F)c2)C2CC2)[C@@H]1c1ccccc1 ZINC000743355833 1131899592 /nfs/dbraw/zinc/89/95/92/1131899592.db2.gz HSBDPXLNJWNQCG-YWZLYKJASA-N 1 2 338.426 3.967 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2cccc(F)c2)C2CC2)[C@@H]1c1ccccc1 ZINC000743355833 1131899602 /nfs/dbraw/zinc/89/96/02/1131899602.db2.gz HSBDPXLNJWNQCG-YWZLYKJASA-N 1 2 338.426 3.967 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000743376534 1131913553 /nfs/dbraw/zinc/91/35/53/1131913553.db2.gz KUTOFOOHGVKRPB-HZSPNIEDSA-N 1 2 340.558 3.598 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000743376534 1131913559 /nfs/dbraw/zinc/91/35/59/1131913559.db2.gz KUTOFOOHGVKRPB-HZSPNIEDSA-N 1 2 340.558 3.598 20 0 EHADLO Oc1ccc(-c2ncc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn2)cc1 ZINC001212695190 1131923745 /nfs/dbraw/zinc/92/37/45/1131923745.db2.gz SBKTVUIZQIRQML-UHFFFAOYSA-N 1 2 343.390 3.838 20 0 EHADLO O=c1[nH]cc(-c2ccccn2)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694981 1131924492 /nfs/dbraw/zinc/92/44/92/1131924492.db2.gz HNGVUCZFWILJNB-UHFFFAOYSA-N 1 2 343.390 3.838 20 0 EHADLO CC1(C)c2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2CNC1=O ZINC001212699161 1131933803 /nfs/dbraw/zinc/93/38/03/1131933803.db2.gz QRQCQZKAZJZMLI-UHFFFAOYSA-N 1 2 346.434 3.582 20 0 EHADLO CC1(C)c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2CNC1=O ZINC001212700121 1131936240 /nfs/dbraw/zinc/93/62/40/1131936240.db2.gz URAPVCAJTJVHQC-UHFFFAOYSA-N 1 2 346.434 3.582 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1SC(F)(F)F ZINC000743839310 1131983370 /nfs/dbraw/zinc/98/33/70/1131983370.db2.gz CLBWBVLJKIYNNM-WDEREUQCSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1SC(F)(F)F ZINC000743839310 1131983374 /nfs/dbraw/zinc/98/33/74/1131983374.db2.gz CLBWBVLJKIYNNM-WDEREUQCSA-N 1 2 335.391 3.916 20 0 EHADLO CCSC[C@@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001173306840 1132035835 /nfs/dbraw/zinc/03/58/35/1132035835.db2.gz YSBJTJVJWUFQQX-LLVKDONJSA-N 1 2 334.316 3.652 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000744435523 1132092163 /nfs/dbraw/zinc/09/21/63/1132092163.db2.gz WVJRLQBBDPGGCG-WMZOPIPTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000744435523 1132092172 /nfs/dbraw/zinc/09/21/72/1132092172.db2.gz WVJRLQBBDPGGCG-WMZOPIPTSA-N 1 2 332.513 3.629 20 0 EHADLO c1nn(CC[NH+]2CCOCC2)cc1Nc1ccccc1-c1ccccc1 ZINC001173817240 1132144171 /nfs/dbraw/zinc/14/41/71/1132144171.db2.gz NQQCKTZDWGKYMQ-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO Cc1cccc(C)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001173875475 1132154204 /nfs/dbraw/zinc/15/42/04/1132154204.db2.gz YRBJFIOHEATYGS-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO COc1cc(OC)c(Nc2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC001173909308 1132171057 /nfs/dbraw/zinc/17/10/57/1132171057.db2.gz NEJJHUTXRZLJKJ-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO CCSCC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001294035446 1132174910 /nfs/dbraw/zinc/17/49/10/1132174910.db2.gz XAKJOLVDFBCPGG-AWEZNQCLSA-N 1 2 342.936 3.810 20 0 EHADLO CCSCC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001294035446 1132174912 /nfs/dbraw/zinc/17/49/12/1132174912.db2.gz XAKJOLVDFBCPGG-AWEZNQCLSA-N 1 2 342.936 3.810 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088743 1132190819 /nfs/dbraw/zinc/19/08/19/1132190819.db2.gz OHBRJXUFODUEEU-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088743 1132190822 /nfs/dbraw/zinc/19/08/22/1132190822.db2.gz OHBRJXUFODUEEU-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000745088651 1132191614 /nfs/dbraw/zinc/19/16/14/1132191614.db2.gz XKDGKKWSOZNJSR-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000745088651 1132191619 /nfs/dbraw/zinc/19/16/19/1132191619.db2.gz XKDGKKWSOZNJSR-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000745098200 1132194423 /nfs/dbraw/zinc/19/44/23/1132194423.db2.gz BDONOOLUSXPBGS-QRQLOZEOSA-N 1 2 333.472 3.818 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCO[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000745098200 1132194426 /nfs/dbraw/zinc/19/44/26/1132194426.db2.gz BDONOOLUSXPBGS-QRQLOZEOSA-N 1 2 333.472 3.818 20 0 EHADLO CCCn1cc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001174218344 1132288294 /nfs/dbraw/zinc/28/82/94/1132288294.db2.gz SWJOLWWKOGVPCK-UHFFFAOYSA-N 1 2 331.217 3.769 20 0 EHADLO O=C(Oc1ccc(OCC2CC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000745806149 1132320374 /nfs/dbraw/zinc/32/03/74/1132320374.db2.gz SESWUSADLDNRIC-UHFFFAOYSA-N 1 2 348.402 3.939 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cncc(Br)n3)ccc21 ZINC001174381670 1132343299 /nfs/dbraw/zinc/34/32/99/1132343299.db2.gz NOYSQSCBRWOWCR-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO Cc1ccc(F)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432352 1132353098 /nfs/dbraw/zinc/35/30/98/1132353098.db2.gz OHPKBISBBXVHMZ-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000746123929 1132378925 /nfs/dbraw/zinc/37/89/25/1132378925.db2.gz XOODRRAMFLWJRM-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746123929 1132378933 /nfs/dbraw/zinc/37/89/33/1132378933.db2.gz XOODRRAMFLWJRM-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO COc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1O ZINC001174541058 1132389364 /nfs/dbraw/zinc/38/93/64/1132389364.db2.gz MMQQZMRBISSFQR-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO COC(=O)Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522715 1132399903 /nfs/dbraw/zinc/39/99/03/1132399903.db2.gz VULYGEJXYWWXRN-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO COC(=O)c1c(F)ccc(F)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523577 1132399926 /nfs/dbraw/zinc/39/99/26/1132399926.db2.gz PIWFLGFGDYLSFY-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO CC(C)c1nnc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cn21 ZINC001174522737 1132400569 /nfs/dbraw/zinc/40/05/69/1132400569.db2.gz WXLODJCIWQJQGF-UHFFFAOYSA-N 1 2 336.443 3.982 20 0 EHADLO Clc1ccc2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)n2n1 ZINC001174523090 1132400591 /nfs/dbraw/zinc/40/05/91/1132400591.db2.gz GCDNAHZNTIVGFL-UHFFFAOYSA-N 1 2 328.807 3.512 20 0 EHADLO O=C(CCCO)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174525228 1132400952 /nfs/dbraw/zinc/40/09/52/1132400952.db2.gz STPOCEKXOKNQSO-UHFFFAOYSA-N 1 2 339.439 3.771 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000188517348 1132436218 /nfs/dbraw/zinc/43/62/18/1132436218.db2.gz JVFFWKSVKGQTPX-UHFFFAOYSA-N 1 2 341.333 3.789 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000188517348 1132436223 /nfs/dbraw/zinc/43/62/23/1132436223.db2.gz JVFFWKSVKGQTPX-UHFFFAOYSA-N 1 2 341.333 3.789 20 0 EHADLO Cc1ccc(Oc2ccccc2CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193178920 1132479820 /nfs/dbraw/zinc/47/98/20/1132479820.db2.gz XOPLLTUEPOODTP-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1ccc(Oc2ccccc2CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193178920 1132479823 /nfs/dbraw/zinc/47/98/23/1132479823.db2.gz XOPLLTUEPOODTP-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(O[C@@H](C)CC(C)C)c1 ZINC000193518155 1132481465 /nfs/dbraw/zinc/48/14/65/1132481465.db2.gz HGEDGWSMJRWMPD-INIZCTEOSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(O[C@@H](C)CC(C)C)c1 ZINC000193518155 1132481470 /nfs/dbraw/zinc/48/14/70/1132481470.db2.gz HGEDGWSMJRWMPD-INIZCTEOSA-N 1 2 343.471 3.781 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000193501029 1132481713 /nfs/dbraw/zinc/48/17/13/1132481713.db2.gz IZBYTZOGGOLBTE-UHFFFAOYSA-N 1 2 329.444 3.536 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000193501029 1132481719 /nfs/dbraw/zinc/48/17/19/1132481719.db2.gz IZBYTZOGGOLBTE-UHFFFAOYSA-N 1 2 329.444 3.536 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1C=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001174847610 1132485749 /nfs/dbraw/zinc/48/57/49/1132485749.db2.gz NSJQVZGCWOMWQQ-UHFFFAOYSA-N 1 2 342.443 3.799 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001174854940 1132487579 /nfs/dbraw/zinc/48/75/79/1132487579.db2.gz WKJBRERYLAIHOM-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001174854940 1132487584 /nfs/dbraw/zinc/48/75/84/1132487584.db2.gz WKJBRERYLAIHOM-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO CCCCOc1ccccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001175000563 1132526640 /nfs/dbraw/zinc/52/66/40/1132526640.db2.gz UDECJVUXIGCRIP-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376288 1132526670 /nfs/dbraw/zinc/52/66/70/1132526670.db2.gz YIMNIWJMVDRQEO-UKRRQHHQSA-N 1 2 330.501 3.956 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376288 1132526677 /nfs/dbraw/zinc/52/66/77/1132526677.db2.gz YIMNIWJMVDRQEO-UKRRQHHQSA-N 1 2 330.501 3.956 20 0 EHADLO COc1ccc(C)cc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766391268 1132527068 /nfs/dbraw/zinc/52/70/68/1132527068.db2.gz CSAHBNHWFJTRRJ-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407151 1132530950 /nfs/dbraw/zinc/53/09/50/1132530950.db2.gz GZHHEVYTGNZFPO-GDBMZVCRSA-N 1 2 335.455 3.964 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cccc2cccnc21 ZINC000766387505 1132532464 /nfs/dbraw/zinc/53/24/64/1132532464.db2.gz NYOLRJSZUOMABQ-UHFFFAOYSA-N 1 2 346.438 3.784 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(C2CCCC2)CC1 ZINC000766417822 1132537905 /nfs/dbraw/zinc/53/79/05/1132537905.db2.gz VZXWKQLXAHPWGM-UHFFFAOYSA-N 1 2 327.476 3.988 20 0 EHADLO Fc1cccc(C[C@@H]([NH2+]Cc2csnn2)c2cccc(F)c2)c1 ZINC001168814847 1132568873 /nfs/dbraw/zinc/56/88/73/1132568873.db2.gz YMOKCYVUUBOTIV-QGZVFWFLSA-N 1 2 331.391 3.890 20 0 EHADLO CC[NH+](CC)c1ccc(C)c(NCCC(=O)Nc2nccs2)c1 ZINC001168918411 1132605401 /nfs/dbraw/zinc/60/54/01/1132605401.db2.gz XMLIVELLZJPJLC-UHFFFAOYSA-N 1 2 332.473 3.738 20 0 EHADLO CCOc1ccc(F)c(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175283363 1132612745 /nfs/dbraw/zinc/61/27/45/1132612745.db2.gz QAIJFFMPOLEJMJ-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO CN(C)c1cccc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)n1 ZINC001175285019 1132613335 /nfs/dbraw/zinc/61/33/35/1132613335.db2.gz UYPNGVADWKJUQQ-UHFFFAOYSA-N 1 2 344.846 3.967 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nc(-c4ccccc4)nn3c2)c[nH+]1 ZINC001175342388 1132626286 /nfs/dbraw/zinc/62/62/86/1132626286.db2.gz TYYIXNAOWOQNJR-UHFFFAOYSA-N 1 2 330.395 3.601 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)c(Br)c(F)c2)c[nH+]1 ZINC001175343084 1132628203 /nfs/dbraw/zinc/62/82/03/1132628203.db2.gz WKHSSFWQAGDJLL-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO Cc1cnc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175345679 1132628864 /nfs/dbraw/zinc/62/88/64/1132628864.db2.gz CKNVDXZYIYRQOB-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)c(Cl)cc1Cl ZINC001175346133 1132629086 /nfs/dbraw/zinc/62/90/86/1132629086.db2.gz NYJPICRPILFLSM-UHFFFAOYSA-N 1 2 340.210 3.985 20 0 EHADLO CNC(=O)c1ccc2cc(NCCc3cn4ccccc4[nH+]3)ccc2c1 ZINC001169003924 1132630030 /nfs/dbraw/zinc/63/00/30/1132630030.db2.gz KMYSEEYKEZLDLK-UHFFFAOYSA-N 1 2 344.418 3.502 20 0 EHADLO Cn1c(CNc2ccn3cc[nH+]c3c2)nc2cc(C(F)(F)F)ccc21 ZINC001169037486 1132637410 /nfs/dbraw/zinc/63/74/10/1132637410.db2.gz PIPQQDFBJKXOIQ-UHFFFAOYSA-N 1 2 345.328 3.852 20 0 EHADLO CN(C)c1ccc(Nc2cnc(Cl)c(Br)c2)c[nH+]1 ZINC001175338909 1132643131 /nfs/dbraw/zinc/64/31/31/1132643131.db2.gz QWWQULDPDJJEMR-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1noc(Cc2ccccc2)n1 ZINC001169054525 1132644044 /nfs/dbraw/zinc/64/40/44/1132644044.db2.gz AHMDQTAPTVNYCG-DOTOQJQBSA-N 1 2 341.455 3.803 20 0 EHADLO Oc1ccc(Br)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351829 1132645578 /nfs/dbraw/zinc/64/55/78/1132645578.db2.gz VTNKMROPFALWPQ-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352195 1132646334 /nfs/dbraw/zinc/64/63/34/1132646334.db2.gz SHEBEARDMOLJLS-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO COc1ccc([C@@H](OC(=O)CCCn2cc[nH+]c2)C2CC2)c(C)c1 ZINC000766605077 1132668884 /nfs/dbraw/zinc/66/88/84/1132668884.db2.gz CGQMYCUMYJLNPJ-IBGZPJMESA-N 1 2 328.412 3.675 20 0 EHADLO Cn1ncc2cccc(Nc3cc(Br)c4[nH+]ccn4c3)c21 ZINC001175441593 1132670986 /nfs/dbraw/zinc/67/09/86/1132670986.db2.gz WSBLYMQYCARKRP-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CN(C)c1ccc(NCCc2ccc(OC(F)(F)F)cc2)[nH+]c1 ZINC001169353603 1132740059 /nfs/dbraw/zinc/74/00/59/1132740059.db2.gz RIEFHBOWEGYVBH-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO COC(=O)c1c(C)c(C)sc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709679 1132755692 /nfs/dbraw/zinc/75/56/92/1132755692.db2.gz JQPZQLQQQMUVQS-UHFFFAOYSA-N 1 2 345.346 3.891 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1Cl ZINC001175867920 1132787832 /nfs/dbraw/zinc/78/78/32/1132787832.db2.gz LEMJLODIPPZPOM-HNNXBMFYSA-N 1 2 347.846 3.837 20 0 EHADLO COc1cc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)ccc1Cl ZINC001175991054 1132809540 /nfs/dbraw/zinc/80/95/40/1132809540.db2.gz BGKKQHVCPTXEDB-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cc(C[N@H+]2CCc3ccc(NC(C)=O)cc3C2)ccc1Cl ZINC001175991054 1132809548 /nfs/dbraw/zinc/80/95/48/1132809548.db2.gz BGKKQHVCPTXEDB-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(-c2ccc(F)cc2)sc1C(N)=O ZINC001176118542 1132851762 /nfs/dbraw/zinc/85/17/62/1132851762.db2.gz NKEHCWBWLYPLKP-UHFFFAOYSA-N 1 2 343.383 3.800 20 0 EHADLO COC(=O)c1ccc(Cl)c(Nc2c[nH+]ccc2OC)c1Cl ZINC001176124565 1132853698 /nfs/dbraw/zinc/85/36/98/1132853698.db2.gz RAYRGGXSTUZSPK-UHFFFAOYSA-N 1 2 327.167 3.927 20 0 EHADLO COCOc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1F ZINC001176192151 1132862083 /nfs/dbraw/zinc/86/20/83/1132862083.db2.gz MQLRYBASCXHWFN-UHFFFAOYSA-N 1 2 331.391 3.937 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1Nc1[nH+]cccc1N1CCOCC1 ZINC001176206197 1132872937 /nfs/dbraw/zinc/87/29/37/1132872937.db2.gz UAWYWNVQXQYTQT-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)Cc3ccc(O)cc3C)cc2)[nH+]c1C ZINC001176219153 1132878836 /nfs/dbraw/zinc/87/88/36/1132878836.db2.gz IKYOURDFLZPLDJ-UHFFFAOYSA-N 1 2 335.407 3.889 20 0 EHADLO OCC12CCC(CC1)[N@@H+]2Cc1cccc(Br)c1Cl ZINC001176354261 1132918591 /nfs/dbraw/zinc/91/85/91/1132918591.db2.gz HRPVNPSPUWMLSC-UHFFFAOYSA-N 1 2 330.653 3.592 20 0 EHADLO OCC12CCC(CC1)[N@H+]2Cc1cccc(Br)c1Cl ZINC001176354261 1132918594 /nfs/dbraw/zinc/91/85/94/1132918594.db2.gz HRPVNPSPUWMLSC-UHFFFAOYSA-N 1 2 330.653 3.592 20 0 EHADLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(F)c(Cl)c1 ZINC001176422198 1132935911 /nfs/dbraw/zinc/93/59/11/1132935911.db2.gz KKRYTPQYMNMAJE-UHFFFAOYSA-N 1 2 338.854 3.918 20 0 EHADLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(F)c(Cl)c1 ZINC001176422198 1132935917 /nfs/dbraw/zinc/93/59/17/1132935917.db2.gz KKRYTPQYMNMAJE-UHFFFAOYSA-N 1 2 338.854 3.918 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)O1 ZINC001176452260 1132938364 /nfs/dbraw/zinc/93/83/64/1132938364.db2.gz IYFKQMSAKUWPFU-CYBMUJFWSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)O1 ZINC001176452260 1132938371 /nfs/dbraw/zinc/93/83/71/1132938371.db2.gz IYFKQMSAKUWPFU-CYBMUJFWSA-N 1 2 342.252 3.904 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(F)(F)C(F)F ZINC000767091808 1132948124 /nfs/dbraw/zinc/94/81/24/1132948124.db2.gz JRNLAFRABUPOHH-UHFFFAOYSA-N 1 2 341.308 3.725 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cc(O)cc(Cl)c3)c[nH+]2)C[C@H](C)O1 ZINC001176622379 1132973225 /nfs/dbraw/zinc/97/32/25/1132973225.db2.gz RBKGMWMSESBRER-TXEJJXNPSA-N 1 2 333.819 3.798 20 0 EHADLO Cc1nc(Nc2ccc(OC(C)(C)C)cc2)cc(N2CCOCC2)[nH+]1 ZINC001176637526 1132974626 /nfs/dbraw/zinc/97/46/26/1132974626.db2.gz RSGGLIOELMIPPC-UHFFFAOYSA-N 1 2 342.443 3.543 20 0 EHADLO Cc1nc(Nc2ccc(Cl)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176726330 1132987711 /nfs/dbraw/zinc/98/77/11/1132987711.db2.gz OKWGVXHGXSEIKO-RYUDHWBXSA-N 1 2 332.835 3.796 20 0 EHADLO Cc1ncc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749448 1132991885 /nfs/dbraw/zinc/99/18/85/1132991885.db2.gz CRGMOZAMHFTRNN-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC001176748970 1132992106 /nfs/dbraw/zinc/99/21/06/1132992106.db2.gz LXBBXUKSANCUKS-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO Fc1ccccc1Cn1nccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750451 1132993271 /nfs/dbraw/zinc/99/32/71/1132993271.db2.gz TUDHHJMZCVWGKV-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)CCc2ccccc2)CCCCC1 ZINC001176814010 1133002037 /nfs/dbraw/zinc/00/20/37/1133002037.db2.gz JBSNESWNMGYKEV-SFHVURJKSA-N 1 2 347.499 3.614 20 0 EHADLO CCOC(=O)c1c(C)[nH]nc1C[N@@H+]1CCCCC12CCCCCC2 ZINC001176960232 1133016261 /nfs/dbraw/zinc/01/62/61/1133016261.db2.gz VURDZWLJULQESH-UHFFFAOYSA-N 1 2 333.476 3.974 20 0 EHADLO CCOC(=O)c1c(C)[nH]nc1C[N@H+]1CCCCC12CCCCCC2 ZINC001176960232 1133016269 /nfs/dbraw/zinc/01/62/69/1133016269.db2.gz VURDZWLJULQESH-UHFFFAOYSA-N 1 2 333.476 3.974 20 0 EHADLO Cc1ccc2c(cccc2NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC001176967678 1133017894 /nfs/dbraw/zinc/01/78/94/1133017894.db2.gz UDHIMMOGCILLLW-MRXNPFEDSA-N 1 2 346.434 3.793 20 0 EHADLO Cc1nccc2c(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)cccc12 ZINC001177506635 1133072033 /nfs/dbraw/zinc/07/20/33/1133072033.db2.gz DQTIWNABHSJQTF-HNNXBMFYSA-N 1 2 348.328 3.872 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc1F ZINC000768200678 1133106594 /nfs/dbraw/zinc/10/65/94/1133106594.db2.gz OIYYWEDBEQKEBB-MRXNPFEDSA-N 1 2 336.432 3.774 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc1F ZINC000768200678 1133106599 /nfs/dbraw/zinc/10/65/99/1133106599.db2.gz OIYYWEDBEQKEBB-MRXNPFEDSA-N 1 2 336.432 3.774 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1c(Cl)nc2ccccn21 ZINC000768211657 1133107978 /nfs/dbraw/zinc/10/79/78/1133107978.db2.gz AYSBZNPZHAPQBW-UHFFFAOYSA-N 1 2 333.794 3.638 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1c(Cl)nc2ccccn21 ZINC000768211657 1133107983 /nfs/dbraw/zinc/10/79/83/1133107983.db2.gz AYSBZNPZHAPQBW-UHFFFAOYSA-N 1 2 333.794 3.638 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000768192831 1133111365 /nfs/dbraw/zinc/11/13/65/1133111365.db2.gz UQKWRNNTBLCBSH-INIZCTEOSA-N 1 2 326.396 3.660 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000768192831 1133111367 /nfs/dbraw/zinc/11/13/67/1133111367.db2.gz UQKWRNNTBLCBSH-INIZCTEOSA-N 1 2 326.396 3.660 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1)n1cc[nH+]c1 ZINC001177925532 1133113839 /nfs/dbraw/zinc/11/38/39/1133113839.db2.gz LKEVIEBDMMDEIU-WBVHZDCISA-N 1 2 341.455 3.638 20 0 EHADLO Nc1ccc(-c2cc3cc(NC(=O)CCc4[nH]cc[nH+]4)ccc3o2)cc1 ZINC001177996897 1133122129 /nfs/dbraw/zinc/12/21/29/1133122129.db2.gz OQTOCJSJKJPIAU-UHFFFAOYSA-N 1 2 346.390 3.976 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(c2csc3ccccc23)CC1 ZINC001177997502 1133122174 /nfs/dbraw/zinc/12/21/74/1133122174.db2.gz FEDXZKOUVUWTLC-UHFFFAOYSA-N 1 2 339.464 3.963 20 0 EHADLO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178116561 1133132364 /nfs/dbraw/zinc/13/23/64/1133132364.db2.gz NJUATXOQJYKHLM-INIZCTEOSA-N 1 2 347.418 3.760 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cc(C)on1)O[C@H](C)C2 ZINC000768429957 1133138392 /nfs/dbraw/zinc/13/83/92/1133138392.db2.gz PLRXDEUWUMZXTH-PXAZEXFGSA-N 1 2 328.412 3.652 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cc(C)on1)O[C@H](C)C2 ZINC000768429957 1133138395 /nfs/dbraw/zinc/13/83/95/1133138395.db2.gz PLRXDEUWUMZXTH-PXAZEXFGSA-N 1 2 328.412 3.652 20 0 EHADLO CC(C)c1cccc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001178448613 1133165830 /nfs/dbraw/zinc/16/58/30/1133165830.db2.gz IHKVKDMYDNIGOF-UHFFFAOYSA-N 1 2 348.450 3.592 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[nH]1 ZINC001178409419 1133167257 /nfs/dbraw/zinc/16/72/57/1133167257.db2.gz SFVHWDFFZBNHEG-VIFPVBQESA-N 1 2 330.329 3.937 20 0 EHADLO CCOc1c(OC)cc(CNc2[nH+]cccc2OC(C)C)cc1OC ZINC001178504873 1133174456 /nfs/dbraw/zinc/17/44/56/1133174456.db2.gz HSLOFURBBGFLMR-UHFFFAOYSA-N 1 2 346.427 3.897 20 0 EHADLO CN(C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C(=O)OC(C)(C)C ZINC000768914903 1133202231 /nfs/dbraw/zinc/20/22/31/1133202231.db2.gz JQPHTEYVQSPONO-AWEZNQCLSA-N 1 2 349.475 3.631 20 0 EHADLO CN(C[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1)C(=O)OC(C)(C)C ZINC000768914903 1133202237 /nfs/dbraw/zinc/20/22/37/1133202237.db2.gz JQPHTEYVQSPONO-AWEZNQCLSA-N 1 2 349.475 3.631 20 0 EHADLO Fc1cc(F)cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001204233567 1133212618 /nfs/dbraw/zinc/21/26/18/1133212618.db2.gz RPIKZWLYLKOFNB-INIZCTEOSA-N 1 2 330.369 3.660 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2ccnc(Oc3ccccc3)c2)[nH+]1 ZINC001179091990 1133226799 /nfs/dbraw/zinc/22/67/99/1133226799.db2.gz GEEGRBNFELALLV-UHFFFAOYSA-N 1 2 336.395 3.650 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2ccnc(Oc3ccccc3)c2)c[nH+]1 ZINC001179091990 1133226806 /nfs/dbraw/zinc/22/68/06/1133226806.db2.gz GEEGRBNFELALLV-UHFFFAOYSA-N 1 2 336.395 3.650 20 0 EHADLO Fc1ccc(F)c(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC001179199630 1133235371 /nfs/dbraw/zinc/23/53/71/1133235371.db2.gz HKNPTYGZCIFIKH-QGZVFWFLSA-N 1 2 325.362 3.928 20 0 EHADLO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769231703 1133246581 /nfs/dbraw/zinc/24/65/81/1133246581.db2.gz CQSXBXFGWZCCSF-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1occc1Br)C2 ZINC000769333078 1133263740 /nfs/dbraw/zinc/26/37/40/1133263740.db2.gz NIJHQKUXIQCDLP-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1occc1Br)C2 ZINC000769333078 1133263745 /nfs/dbraw/zinc/26/37/45/1133263745.db2.gz NIJHQKUXIQCDLP-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000769330933 1133263975 /nfs/dbraw/zinc/26/39/75/1133263975.db2.gz SBBFRGLXNSKEGO-INIZCTEOSA-N 1 2 347.890 3.929 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000769330933 1133263978 /nfs/dbraw/zinc/26/39/78/1133263978.db2.gz SBBFRGLXNSKEGO-INIZCTEOSA-N 1 2 347.890 3.929 20 0 EHADLO O=C([C@H](F)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000769390692 1133275059 /nfs/dbraw/zinc/27/50/59/1133275059.db2.gz SWVMWEHAVHLCKU-GOSISDBHSA-N 1 2 329.419 3.613 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000769390107 1133275243 /nfs/dbraw/zinc/27/52/43/1133275243.db2.gz UPGLNEXFTYGUCG-GPMSIDNRSA-N 1 2 327.472 3.989 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000769390107 1133275249 /nfs/dbraw/zinc/27/52/49/1133275249.db2.gz UPGLNEXFTYGUCG-GPMSIDNRSA-N 1 2 327.472 3.989 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769426097 1133282139 /nfs/dbraw/zinc/28/21/39/1133282139.db2.gz SEZJZZNBHORTNX-XJKSGUPXSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769426097 1133282146 /nfs/dbraw/zinc/28/21/46/1133282146.db2.gz SEZJZZNBHORTNX-XJKSGUPXSA-N 1 2 349.475 3.677 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000769393851 1133285282 /nfs/dbraw/zinc/28/52/82/1133285282.db2.gz FCVVHTIOLCOLFF-BZSNNMDCSA-N 1 2 348.368 3.537 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000769393851 1133285285 /nfs/dbraw/zinc/28/52/85/1133285285.db2.gz FCVVHTIOLCOLFF-BZSNNMDCSA-N 1 2 348.368 3.537 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CCN1C(=O)OC(C)(C)C ZINC000769395406 1133286752 /nfs/dbraw/zinc/28/67/52/1133286752.db2.gz GPYCDLRLUSGYFT-HNNXBMFYSA-N 1 2 341.455 3.676 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1C(=O)OC(C)(C)C ZINC000769395406 1133286754 /nfs/dbraw/zinc/28/67/54/1133286754.db2.gz GPYCDLRLUSGYFT-HNNXBMFYSA-N 1 2 341.455 3.676 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000769499995 1133302841 /nfs/dbraw/zinc/30/28/41/1133302841.db2.gz ZDNVPCSAXBZTNQ-UHFFFAOYSA-N 1 2 349.400 3.985 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)nc2ccccc12 ZINC000769503674 1133303924 /nfs/dbraw/zinc/30/39/24/1133303924.db2.gz RIZDCEQGWSURTM-UHFFFAOYSA-N 1 2 349.434 3.873 20 0 EHADLO CCCC[N@H+](Cc1cc(C(=O)OCC)n[nH]1)Cc1ccccc1F ZINC001180047669 1133315330 /nfs/dbraw/zinc/31/53/30/1133315330.db2.gz MCLWJXWHGJSESW-UHFFFAOYSA-N 1 2 333.407 3.528 20 0 EHADLO CCCC[N@@H+](Cc1cc(C(=O)OCC)n[nH]1)Cc1ccccc1F ZINC001180047669 1133315336 /nfs/dbraw/zinc/31/53/36/1133315336.db2.gz MCLWJXWHGJSESW-UHFFFAOYSA-N 1 2 333.407 3.528 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000769769111 1133339209 /nfs/dbraw/zinc/33/92/09/1133339209.db2.gz GJGYBBMVXIQPFI-IHHMQQGQSA-N 1 2 337.467 3.765 20 0 EHADLO COC(=O)c1cc(Br)oc1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001180322617 1133361187 /nfs/dbraw/zinc/36/11/87/1133361187.db2.gz KUQCSOJZDUJDIT-SNVBAGLBSA-N 1 2 344.249 3.697 20 0 EHADLO COC(=O)c1cc(Br)oc1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001180322617 1133361192 /nfs/dbraw/zinc/36/11/92/1133361192.db2.gz KUQCSOJZDUJDIT-SNVBAGLBSA-N 1 2 344.249 3.697 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)Cc1cccc2[nH]c(=O)oc21 ZINC001180573923 1133388239 /nfs/dbraw/zinc/38/82/39/1133388239.db2.gz GODNXZRLDNYMSB-UHFFFAOYSA-N 1 2 325.393 3.775 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)Cc1cccc2[nH]c(=O)oc21 ZINC001180573923 1133388245 /nfs/dbraw/zinc/38/82/45/1133388245.db2.gz GODNXZRLDNYMSB-UHFFFAOYSA-N 1 2 325.393 3.775 20 0 EHADLO CCc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000770107214 1133388751 /nfs/dbraw/zinc/38/87/51/1133388751.db2.gz RUCLZYGJIUQEIT-UHFFFAOYSA-N 1 2 327.428 3.900 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352513 1133420094 /nfs/dbraw/zinc/42/00/94/1133420094.db2.gz ONHARUMLYQZAMG-NEPJUHHUSA-N 1 2 332.275 3.506 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352513 1133420097 /nfs/dbraw/zinc/42/00/97/1133420097.db2.gz ONHARUMLYQZAMG-NEPJUHHUSA-N 1 2 332.275 3.506 20 0 EHADLO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770394922 1133422469 /nfs/dbraw/zinc/42/24/69/1133422469.db2.gz MOSJGBOVFZNEAE-UHFFFAOYSA-N 1 2 333.313 3.625 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001180906590 1133426907 /nfs/dbraw/zinc/42/69/07/1133426907.db2.gz GHEZIBSFJXEKSU-INIZCTEOSA-N 1 2 326.440 3.579 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@H](CO)O1 ZINC001180916371 1133427692 /nfs/dbraw/zinc/42/76/92/1133427692.db2.gz CBSHONBCLJRXHJ-WMLDXEAASA-N 1 2 331.843 3.589 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@H](CO)O1 ZINC001180916371 1133427700 /nfs/dbraw/zinc/42/77/00/1133427700.db2.gz CBSHONBCLJRXHJ-WMLDXEAASA-N 1 2 331.843 3.589 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)CCO1 ZINC000151356931 1133436499 /nfs/dbraw/zinc/43/64/99/1133436499.db2.gz FRDQKNWLJAIZEG-KRWDZBQOSA-N 1 2 348.450 3.710 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001180984650 1133442170 /nfs/dbraw/zinc/44/21/70/1133442170.db2.gz CNQCAALLYSGKLS-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001180984650 1133442173 /nfs/dbraw/zinc/44/21/73/1133442173.db2.gz CNQCAALLYSGKLS-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CC[C@@H](C)C4(CCC4)C3)n2c(C)c1C ZINC000770670923 1133458066 /nfs/dbraw/zinc/45/80/66/1133458066.db2.gz MZJJSLFRNFKVKS-GFCCVEGCSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)n2c(C)c1C ZINC000770670923 1133458071 /nfs/dbraw/zinc/45/80/71/1133458071.db2.gz MZJJSLFRNFKVKS-GFCCVEGCSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1ccc(OCCCC(=O)OCc2cccc3[nH+]ccn32)c(C)c1 ZINC000770919826 1133483874 /nfs/dbraw/zinc/48/38/74/1133483874.db2.gz FAMYIVTZIZIRBG-UHFFFAOYSA-N 1 2 338.407 3.854 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2sccc21 ZINC000771306678 1133537242 /nfs/dbraw/zinc/53/72/42/1133537242.db2.gz QEEGRDLMEBTLIH-QGZVFWFLSA-N 1 2 337.448 3.670 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC001181861525 1133541511 /nfs/dbraw/zinc/54/15/11/1133541511.db2.gz VNMULQDAUPWADJ-UHFFFAOYSA-N 1 2 339.313 3.727 20 0 EHADLO CCN(c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1)C(C)C ZINC000771502514 1133566511 /nfs/dbraw/zinc/56/65/11/1133566511.db2.gz RBJIAHMTXJRLAV-UHFFFAOYSA-N 1 2 349.438 3.754 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001182109749 1133573952 /nfs/dbraw/zinc/57/39/52/1133573952.db2.gz SMJFDVNBGRNGPX-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001182109749 1133573955 /nfs/dbraw/zinc/57/39/55/1133573955.db2.gz SMJFDVNBGRNGPX-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(C2CC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000771734147 1133589714 /nfs/dbraw/zinc/58/97/14/1133589714.db2.gz TWMZGLHCTALDOX-ZRGWGRIASA-N 1 2 330.472 3.636 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(C2CC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000771734147 1133589715 /nfs/dbraw/zinc/58/97/15/1133589715.db2.gz TWMZGLHCTALDOX-ZRGWGRIASA-N 1 2 330.472 3.636 20 0 EHADLO CCn1cnc(Cl)c1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC001182228129 1133593369 /nfs/dbraw/zinc/59/33/69/1133593369.db2.gz URBKUXNSEXLTSN-UHFFFAOYSA-N 1 2 325.790 3.509 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1ncc(O)cc1C)c1ccccc1Cl ZINC001182217904 1133597532 /nfs/dbraw/zinc/59/75/32/1133597532.db2.gz FLHXVGMFYBOPAJ-INIZCTEOSA-N 1 2 347.846 3.771 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1ccncc1)c1ccccc1Cl ZINC001182218397 1133597840 /nfs/dbraw/zinc/59/78/40/1133597840.db2.gz JAYFGOADAVUMHX-KBXCAEBGSA-N 1 2 345.874 3.995 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N(CCOC)C(C)C)c1ccccc1Cl ZINC001182225040 1133599980 /nfs/dbraw/zinc/59/99/80/1133599980.db2.gz MXUNZSUBEUDZOF-KRWDZBQOSA-N 1 2 340.895 3.606 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)OCCn1cc[nH+]c1 ZINC000771972619 1133622422 /nfs/dbraw/zinc/62/24/22/1133622422.db2.gz IXWINBYRQSIEFA-HXUWFJFHSA-N 1 2 334.419 3.843 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C/c3ccc(Cl)cc3)[nH+]c12 ZINC000746540735 1133683054 /nfs/dbraw/zinc/68/30/54/1133683054.db2.gz WWRJQTRHQUPQLG-RMKNXTFCSA-N 1 2 339.826 3.668 20 0 EHADLO C/C(=C\C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1cccc(F)c1 ZINC000746540105 1133685160 /nfs/dbraw/zinc/68/51/60/1133685160.db2.gz QNFLCJJNTMZKOF-RVDMUPIBSA-N 1 2 337.398 3.544 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C(C)C)nc2)n1 ZINC000772437450 1133685405 /nfs/dbraw/zinc/68/54/05/1133685405.db2.gz YXULYMYSYYULEL-UHFFFAOYSA-N 1 2 332.473 3.756 20 0 EHADLO C[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)[C@H]1C(=O)OC(C)(C)C ZINC001182489434 1133694472 /nfs/dbraw/zinc/69/44/72/1133694472.db2.gz LTUVEXUZRXYHIG-SUMWQHHRSA-N 1 2 339.426 3.950 20 0 EHADLO C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2F)[C@H]1C(=O)OC(C)(C)C ZINC001182489434 1133694476 /nfs/dbraw/zinc/69/44/76/1133694476.db2.gz LTUVEXUZRXYHIG-SUMWQHHRSA-N 1 2 339.426 3.950 20 0 EHADLO Cc1cc(CC(=O)Nc2cc[nH+]c3c2CCC3)cc(C(F)(F)F)c1 ZINC001182673043 1133713746 /nfs/dbraw/zinc/71/37/46/1133713746.db2.gz GHLVSHKWQJZCNH-UHFFFAOYSA-N 1 2 334.341 3.501 20 0 EHADLO CCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001183018858 1133761258 /nfs/dbraw/zinc/76/12/58/1133761258.db2.gz STHJLRCOIPGMHO-LBPRGKRZSA-N 1 2 340.452 3.691 20 0 EHADLO C[C@@]1(C2CCCC2)CC(=O)N(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000780442160 1133798509 /nfs/dbraw/zinc/79/85/09/1133798509.db2.gz RFDSXXIXSJABBC-MRXNPFEDSA-N 1 2 332.410 3.647 20 0 EHADLO Cc1cccc([C@@H]2CC(=O)N(C[N@@H+]3Cc4ccccc4C4(CC4)C3)C2)c1 ZINC000774676218 1133849585 /nfs/dbraw/zinc/84/95/85/1133849585.db2.gz KTNKMNKLWZWWHA-HXUWFJFHSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1cccc([C@@H]2CC(=O)N(C[N@H+]3Cc4ccccc4C4(CC4)C3)C2)c1 ZINC000774676218 1133849594 /nfs/dbraw/zinc/84/95/94/1133849594.db2.gz KTNKMNKLWZWWHA-HXUWFJFHSA-N 1 2 346.474 3.816 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001183783700 1133857231 /nfs/dbraw/zinc/85/72/31/1133857231.db2.gz JRXXHKQUYKTKKG-LBPRGKRZSA-N 1 2 348.381 3.698 20 0 EHADLO Cn1c[nH+]cc1COC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000786459771 1133857593 /nfs/dbraw/zinc/85/75/93/1133857593.db2.gz JIAJGKFUOPNWGJ-UHFFFAOYSA-N 1 2 340.345 3.751 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](C/C=C\c2ccc(F)cc2F)C[C@@H]1CC ZINC001183787719 1133858260 /nfs/dbraw/zinc/85/82/60/1133858260.db2.gz CNURLFQLXKQTOP-GEEKGILVSA-N 1 2 341.373 3.591 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](C/C=C\c2ccc(F)cc2F)C[C@@H]1CC ZINC001183787719 1133858273 /nfs/dbraw/zinc/85/82/73/1133858273.db2.gz CNURLFQLXKQTOP-GEEKGILVSA-N 1 2 341.373 3.591 20 0 EHADLO Nc1ccc(CCC(=O)N(c2ccccc2)c2ccccc2N)c[nH+]1 ZINC001183937769 1133874857 /nfs/dbraw/zinc/87/48/57/1133874857.db2.gz ZVNBIHJRFGYTTF-UHFFFAOYSA-N 1 2 332.407 3.544 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1csnn1 ZINC001184462861 1133943984 /nfs/dbraw/zinc/94/39/84/1133943984.db2.gz SDHXCLHFDQLYBB-UHFFFAOYSA-N 1 2 335.436 3.857 20 0 EHADLO C[N@H+](CCC1CC1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000746628604 1133945230 /nfs/dbraw/zinc/94/52/30/1133945230.db2.gz XMQQOPWBHRIRIN-UHFFFAOYSA-N 1 2 332.473 3.622 20 0 EHADLO C[N@@H+](CCC1CC1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000746628604 1133945235 /nfs/dbraw/zinc/94/52/35/1133945235.db2.gz XMQQOPWBHRIRIN-UHFFFAOYSA-N 1 2 332.473 3.622 20 0 EHADLO CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)NCCn3cc[nH+]c3)CC[C@@H](C)[C@@H]2CC1 ZINC001184499784 1133952078 /nfs/dbraw/zinc/95/20/78/1133952078.db2.gz NLCAFVXWPZLBKF-GFEQUFNTSA-N 1 2 329.488 3.654 20 0 EHADLO CC(C)(C)C[C@H]1CC(=O)N(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)C1 ZINC000787217817 1133968786 /nfs/dbraw/zinc/96/87/86/1133968786.db2.gz DQYJACMXWKYPJK-MJGOQNOKSA-N 1 2 344.499 3.692 20 0 EHADLO CC(C)(C)C[C@H]1CC(=O)N(C[N@H+]2CCCO[C@H](c3ccccc3)C2)C1 ZINC000787217817 1133968792 /nfs/dbraw/zinc/96/87/92/1133968792.db2.gz DQYJACMXWKYPJK-MJGOQNOKSA-N 1 2 344.499 3.692 20 0 EHADLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787309511 1133993954 /nfs/dbraw/zinc/99/39/54/1133993954.db2.gz UCASAUMMRSUMQC-AWEZNQCLSA-N 1 2 336.785 3.738 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787309511 1133993958 /nfs/dbraw/zinc/99/39/58/1133993958.db2.gz UCASAUMMRSUMQC-AWEZNQCLSA-N 1 2 336.785 3.738 20 0 EHADLO O=C1CCOc2c(Nc3ccc[nH+]c3N3CCCC3)ccc(F)c21 ZINC001185042274 1134023667 /nfs/dbraw/zinc/02/36/67/1134023667.db2.gz CNGFJQFJQPSRLA-UHFFFAOYSA-N 1 2 327.359 3.530 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001185157604 1134048424 /nfs/dbraw/zinc/04/84/24/1134048424.db2.gz KYCHVOVMZIBABQ-ZDUSSCGKSA-N 1 2 342.443 3.603 20 0 EHADLO C[C@@H](CC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872999 1134089265 /nfs/dbraw/zinc/08/92/65/1134089265.db2.gz DJOZWLCISLCABU-YOEHRIQHSA-N 1 2 327.428 3.514 20 0 EHADLO C[C@@H](CC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872999 1134089273 /nfs/dbraw/zinc/08/92/73/1134089273.db2.gz DJOZWLCISLCABU-YOEHRIQHSA-N 1 2 327.428 3.514 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)o1 ZINC000788249858 1134101020 /nfs/dbraw/zinc/10/10/20/1134101020.db2.gz XQISKDXTQDEBIF-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)o1 ZINC000788249858 1134101025 /nfs/dbraw/zinc/10/10/25/1134101025.db2.gz XQISKDXTQDEBIF-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283134 1134108262 /nfs/dbraw/zinc/10/82/62/1134108262.db2.gz WGQOLGWQSZBCBE-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283134 1134108269 /nfs/dbraw/zinc/10/82/69/1134108269.db2.gz WGQOLGWQSZBCBE-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000788283134 1134108273 /nfs/dbraw/zinc/10/82/73/1134108273.db2.gz WGQOLGWQSZBCBE-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000788283134 1134108277 /nfs/dbraw/zinc/10/82/77/1134108277.db2.gz WGQOLGWQSZBCBE-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO Cc1cc(N[C@H](CC(N)=O)c2ccccc2Cl)nc(C2CCC2)[nH+]1 ZINC001185611654 1134113706 /nfs/dbraw/zinc/11/37/06/1134113706.db2.gz LBUWMLLYYQALQG-OAHLLOKOSA-N 1 2 344.846 3.735 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)C1(c2ccc3ncccc3c2)CC1 ZINC001186098241 1134169652 /nfs/dbraw/zinc/16/96/52/1134169652.db2.gz QTEDTPMLLPHJMG-UHFFFAOYSA-N 1 2 346.434 3.504 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC001186131292 1134173385 /nfs/dbraw/zinc/17/33/85/1134173385.db2.gz MAAWHNAKEFBUMF-CJNGLKHVSA-N 1 2 343.393 3.948 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC001186389307 1134207091 /nfs/dbraw/zinc/20/70/91/1134207091.db2.gz MVGBPNIVLUVYEH-MAUKXSAKSA-N 1 2 331.460 3.603 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)N[C@@H]3CCCc4ccccc43)n2c1 ZINC001186463422 1134224846 /nfs/dbraw/zinc/22/48/46/1134224846.db2.gz UCPMHCIQELKOAM-GOSISDBHSA-N 1 2 334.423 3.520 20 0 EHADLO O=S(=O)(Nc1cc[nH+]c(C2CC2)c1)c1csc2ccccc21 ZINC001186463513 1134225347 /nfs/dbraw/zinc/22/53/47/1134225347.db2.gz CBQKFLHVOOWZTB-UHFFFAOYSA-N 1 2 330.434 3.975 20 0 EHADLO Cc1cc2c(ncnc2NCCn2c[nH+]cc2-c2ccccc2)s1 ZINC001187190361 1134308520 /nfs/dbraw/zinc/30/85/20/1134308520.db2.gz OWUIPTVQKULUQW-UHFFFAOYSA-N 1 2 335.436 3.975 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(F)(F)c1ccnc(Cl)c1Cl ZINC001157459863 1134310183 /nfs/dbraw/zinc/31/01/83/1134310183.db2.gz LFHALOSBRIBGKS-UHFFFAOYSA-N 1 2 335.185 3.656 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170469 1134310562 /nfs/dbraw/zinc/31/05/62/1134310562.db2.gz OZAHCVYKTSUTBO-LBPRGKRZSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170469 1134310569 /nfs/dbraw/zinc/31/05/69/1134310569.db2.gz OZAHCVYKTSUTBO-LBPRGKRZSA-N 1 2 334.222 3.549 20 0 EHADLO C[N@H+](CCc1ccccc1Cl)Cc1cnn(-c2ccccc2)n1 ZINC000746855597 1134331222 /nfs/dbraw/zinc/33/12/22/1134331222.db2.gz OTEXDZOZGOBWDL-UHFFFAOYSA-N 1 2 326.831 3.595 20 0 EHADLO C[N@@H+](CCc1ccccc1Cl)Cc1cnn(-c2ccccc2)n1 ZINC000746855597 1134331227 /nfs/dbraw/zinc/33/12/27/1134331227.db2.gz OTEXDZOZGOBWDL-UHFFFAOYSA-N 1 2 326.831 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccc(F)cc2)c1C ZINC000746864976 1134351066 /nfs/dbraw/zinc/35/10/66/1134351066.db2.gz JWJOWDQQWJDVJK-ZDUSSCGKSA-N 1 2 344.430 3.683 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc2ncccc2c1 ZINC001187607307 1134355000 /nfs/dbraw/zinc/35/50/00/1134355000.db2.gz SXEGRHUZZCDRBQ-UHFFFAOYSA-N 1 2 346.438 3.784 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000790252910 1134385849 /nfs/dbraw/zinc/38/58/49/1134385849.db2.gz ZSEPQUYLSABTAR-HNNXBMFYSA-N 1 2 338.238 3.938 20 0 EHADLO CC(C)[NH+]1CC(NC(F)(F)c2cnc(Cl)c(-c3ccco3)c2)C1 ZINC001157532039 1134427603 /nfs/dbraw/zinc/42/76/03/1134427603.db2.gz FRCPPHUWBYWHLP-UHFFFAOYSA-N 1 2 341.789 3.727 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790713667 1134456761 /nfs/dbraw/zinc/45/67/61/1134456761.db2.gz UHEKXZGQXCPLPY-UHFFFAOYSA-N 1 2 344.773 3.951 20 0 EHADLO C[C@]1(O)CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250277404 1134469028 /nfs/dbraw/zinc/46/90/28/1134469028.db2.gz XNRBZPBTVLKQEW-ZDUSSCGKSA-N 1 2 325.733 3.845 20 0 EHADLO C[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250277404 1134469029 /nfs/dbraw/zinc/46/90/29/1134469029.db2.gz XNRBZPBTVLKQEW-ZDUSSCGKSA-N 1 2 325.733 3.845 20 0 EHADLO CC(C)CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000746961882 1134499049 /nfs/dbraw/zinc/49/90/49/1134499049.db2.gz QRAWGYMMDOOXOV-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO COc1cc2c(cc1NC(=O)CCc1[nH]cc[nH+]1)oc1ccccc12 ZINC000791300243 1134527332 /nfs/dbraw/zinc/52/73/32/1134527332.db2.gz IMMUXHJCCPDUIE-UHFFFAOYSA-N 1 2 335.363 3.889 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cn1ccc2ccccc21 ZINC000791340682 1134533319 /nfs/dbraw/zinc/53/33/19/1134533319.db2.gz PZOKHNVLASPZCH-UHFFFAOYSA-N 1 2 345.402 3.879 20 0 EHADLO Cc1ccc2oc(C(=O)OCc3ccc(-n4cc[nH+]c4)cc3C)cc2n1 ZINC000791369941 1134535704 /nfs/dbraw/zinc/53/57/04/1134535704.db2.gz BODQWGZMPXLNGG-UHFFFAOYSA-N 1 2 347.374 3.987 20 0 EHADLO Cc1c(F)cccc1NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001189051911 1134537290 /nfs/dbraw/zinc/53/72/90/1134537290.db2.gz RZTYKOAAZIFCCK-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c(F)cc(F)cc1F ZINC000791394759 1134544139 /nfs/dbraw/zinc/54/41/39/1134544139.db2.gz DKPACEFKUBFSDK-UHFFFAOYSA-N 1 2 346.308 3.955 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1cccc(Cl)c1Cl ZINC001189246588 1134557391 /nfs/dbraw/zinc/55/73/91/1134557391.db2.gz ASTLLFVZSRMVQZ-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccccc1OC(F)(F)F ZINC000775259846 1134594327 /nfs/dbraw/zinc/59/43/27/1134594327.db2.gz ZBBSJHTYUDBHGR-UHFFFAOYSA-N 1 2 336.269 3.590 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000791856147 1134612908 /nfs/dbraw/zinc/61/29/08/1134612908.db2.gz JEQSIZRMURMING-VFNNOXKTSA-N 1 2 326.396 3.598 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791869869 1134625975 /nfs/dbraw/zinc/62/59/75/1134625975.db2.gz KRFMNZCWKZSKKT-SNVBAGLBSA-N 1 2 339.222 3.893 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(O)c2ccccc2c1 ZINC000792098529 1134654190 /nfs/dbraw/zinc/65/41/90/1134654190.db2.gz VUPOWSLEJYLRIB-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)c1ccccc1-n1cc[nH+]c1 ZINC001190100781 1134656005 /nfs/dbraw/zinc/65/60/05/1134656005.db2.gz VOXNWKXRZFRNMI-UHFFFAOYSA-N 1 2 338.754 3.919 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC000792163903 1134660451 /nfs/dbraw/zinc/66/04/51/1134660451.db2.gz DPPPNUGYYXEBRG-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC000792163903 1134660453 /nfs/dbraw/zinc/66/04/53/1134660453.db2.gz DPPPNUGYYXEBRG-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](CC)CCc1ccccn1 ZINC000792241899 1134670399 /nfs/dbraw/zinc/67/03/99/1134670399.db2.gz KPSXGQCHPGSUHO-GOSISDBHSA-N 1 2 346.858 3.904 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](CC)CCc1ccccn1 ZINC000792241899 1134670404 /nfs/dbraw/zinc/67/04/04/1134670404.db2.gz KPSXGQCHPGSUHO-GOSISDBHSA-N 1 2 346.858 3.904 20 0 EHADLO O[C@@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)cc1F ZINC000792322827 1134679500 /nfs/dbraw/zinc/67/95/00/1134679500.db2.gz LVVAUBIXKAQYCS-SFHVURJKSA-N 1 2 339.332 3.941 20 0 EHADLO O[C@@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)cc1F ZINC000792322827 1134679505 /nfs/dbraw/zinc/67/95/05/1134679505.db2.gz LVVAUBIXKAQYCS-SFHVURJKSA-N 1 2 339.332 3.941 20 0 EHADLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000792519915 1134692297 /nfs/dbraw/zinc/69/22/97/1134692297.db2.gz VTIJBAOYOOLCFG-AWEZNQCLSA-N 1 2 340.345 3.714 20 0 EHADLO CC(C)NC(=O)[C@@H](Nc1cc[nH+]c(OCc2ccccc2)c1)C(C)C ZINC001170195092 1134711174 /nfs/dbraw/zinc/71/11/74/1134711174.db2.gz JQPQHRLVILOCHE-IBGZPJMESA-N 1 2 341.455 3.622 20 0 EHADLO COc1cccc2c1C[N@H+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC001170343246 1134758731 /nfs/dbraw/zinc/75/87/31/1134758731.db2.gz XWZMGMYBHRUYFP-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO COc1cccc2c1C[N@@H+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC001170343246 1134758736 /nfs/dbraw/zinc/75/87/36/1134758736.db2.gz XWZMGMYBHRUYFP-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCCOC[C@@H]3C)c2=S)c1 ZINC000772821137 1134791001 /nfs/dbraw/zinc/79/10/01/1134791001.db2.gz JWCZGXQVSKNGON-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCCOC[C@@H]3C)c2=S)c1 ZINC000772821137 1134791007 /nfs/dbraw/zinc/79/10/07/1134791007.db2.gz JWCZGXQVSKNGON-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1Cl ZINC001191085889 1134799363 /nfs/dbraw/zinc/79/93/63/1134799363.db2.gz VFMVGTNUQMMWNR-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1Cl ZINC001191085889 1134799367 /nfs/dbraw/zinc/79/93/67/1134799367.db2.gz VFMVGTNUQMMWNR-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1F ZINC000792902485 1134818279 /nfs/dbraw/zinc/81/82/79/1134818279.db2.gz HKTRCKZSJFTOQI-DZGCQCFKSA-N 1 2 345.245 3.588 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1F ZINC000792902485 1134818282 /nfs/dbraw/zinc/81/82/82/1134818282.db2.gz HKTRCKZSJFTOQI-DZGCQCFKSA-N 1 2 345.245 3.588 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256272 1134824991 /nfs/dbraw/zinc/82/49/91/1134824991.db2.gz HCRQHWXNYXOOAU-PBHICJAKSA-N 1 2 341.455 3.957 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256272 1134824999 /nfs/dbraw/zinc/82/49/99/1134824999.db2.gz HCRQHWXNYXOOAU-PBHICJAKSA-N 1 2 341.455 3.957 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256276 1134825364 /nfs/dbraw/zinc/82/53/64/1134825364.db2.gz HCRQHWXNYXOOAU-WMLDXEAASA-N 1 2 341.455 3.957 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256276 1134825377 /nfs/dbraw/zinc/82/53/77/1134825377.db2.gz HCRQHWXNYXOOAU-WMLDXEAASA-N 1 2 341.455 3.957 20 0 EHADLO Clc1ccsc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191388973 1134854435 /nfs/dbraw/zinc/85/44/35/1134854435.db2.gz BABYZHDPTQPBDA-UHFFFAOYSA-N 1 2 336.888 3.740 20 0 EHADLO OCCC[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000775462156 1134870594 /nfs/dbraw/zinc/87/05/94/1134870594.db2.gz VPJCYPFDAGKGKR-GFCCVEGCSA-N 1 2 345.311 3.986 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000793256534 1134891185 /nfs/dbraw/zinc/89/11/85/1134891185.db2.gz BBMREWKJMQIWAZ-UHFFFAOYSA-N 1 2 340.345 3.660 20 0 EHADLO Cc1cc(NC(=O)N2CC([NH+]3CCC(F)(F)CC3)C2)ccc1Cl ZINC001191758234 1134917041 /nfs/dbraw/zinc/91/70/41/1134917041.db2.gz WZUPJKVTACTRTJ-UHFFFAOYSA-N 1 2 343.805 3.596 20 0 EHADLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@H]1CCCCO1 ZINC000793583308 1134962650 /nfs/dbraw/zinc/96/26/50/1134962650.db2.gz DKWNQRJWWRIJSO-QGZVFWFLSA-N 1 2 333.863 3.586 20 0 EHADLO C[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@H]1CCCCO1 ZINC000793583308 1134962654 /nfs/dbraw/zinc/96/26/54/1134962654.db2.gz DKWNQRJWWRIJSO-QGZVFWFLSA-N 1 2 333.863 3.586 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3ccc(F)c(C)c3)c[nH+]c12 ZINC001192408873 1135015840 /nfs/dbraw/zinc/01/58/40/1135015840.db2.gz PEVCFMYDBYPTMR-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO COC(=O)c1cc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)on1 ZINC001192781080 1135054091 /nfs/dbraw/zinc/05/40/91/1135054091.db2.gz QOJAIHFCEBDGCG-UHFFFAOYSA-N 1 2 336.391 3.515 20 0 EHADLO C[C@H]1CCOCC[N@@H+]1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000775569523 1135103104 /nfs/dbraw/zinc/10/31/04/1135103104.db2.gz XGXYSFJQJKTKDC-ZDUSSCGKSA-N 1 2 336.888 3.998 20 0 EHADLO C[C@H]1CCOCC[N@H+]1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000775569523 1135103110 /nfs/dbraw/zinc/10/31/10/1135103110.db2.gz XGXYSFJQJKTKDC-ZDUSSCGKSA-N 1 2 336.888 3.998 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1cccs1 ZINC000775581553 1135118204 /nfs/dbraw/zinc/11/82/04/1135118204.db2.gz HEDNDPNQMKLENZ-UHFFFAOYSA-N 1 2 326.469 3.799 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1cccs1 ZINC000775581553 1135118207 /nfs/dbraw/zinc/11/82/07/1135118207.db2.gz HEDNDPNQMKLENZ-UHFFFAOYSA-N 1 2 326.469 3.799 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000775586820 1135120701 /nfs/dbraw/zinc/12/07/01/1135120701.db2.gz PBFKZGUDGMNSKQ-UHFFFAOYSA-N 1 2 332.451 3.799 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000775586820 1135120703 /nfs/dbraw/zinc/12/07/03/1135120703.db2.gz PBFKZGUDGMNSKQ-UHFFFAOYSA-N 1 2 332.451 3.799 20 0 EHADLO C[C@H]1C[C@@H]1N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001129766013 1135153958 /nfs/dbraw/zinc/15/39/58/1135153958.db2.gz QFOARUYUZITPDG-JXFKEZNVSA-N 1 2 331.419 3.987 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)OC1CCCCC1 ZINC001193604125 1135164741 /nfs/dbraw/zinc/16/47/41/1135164741.db2.gz JKKYINHAQUNOIT-UHFFFAOYSA-N 1 2 344.415 3.720 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)ccc2F)cc1 ZINC001193908529 1135202889 /nfs/dbraw/zinc/20/28/89/1135202889.db2.gz ZAQYTCYECQONMV-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)ccc2F)cc1 ZINC001193908529 1135202895 /nfs/dbraw/zinc/20/28/95/1135202895.db2.gz ZAQYTCYECQONMV-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)[nH]1 ZINC001193915825 1135204672 /nfs/dbraw/zinc/20/46/72/1135204672.db2.gz FDAPUGVJVGOVDJ-OAHLLOKOSA-N 1 2 340.254 3.663 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001194021007 1135215651 /nfs/dbraw/zinc/21/56/51/1135215651.db2.gz UYFBUFIWLPEVOX-GJZGRUSLSA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001194021007 1135215655 /nfs/dbraw/zinc/21/56/55/1135215655.db2.gz UYFBUFIWLPEVOX-GJZGRUSLSA-N 1 2 332.271 3.774 20 0 EHADLO CC[C@@]([NH2+]C[C@@H]1CCCC12CCOCC2)(C(=O)OC)c1ccccc1 ZINC001194263128 1135252240 /nfs/dbraw/zinc/25/22/40/1135252240.db2.gz VGHMCLXFZGUEGU-RXVVDRJESA-N 1 2 345.483 3.651 20 0 EHADLO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928240 1135311114 /nfs/dbraw/zinc/31/11/14/1135311114.db2.gz KGWDIJUZVUHDSS-ACJLOTCBSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928240 1135311120 /nfs/dbraw/zinc/31/11/20/1135311120.db2.gz KGWDIJUZVUHDSS-ACJLOTCBSA-N 1 2 343.389 3.512 20 0 EHADLO O[C@H](C[N@@H+]1CCOC2(CCCCC2)C1)c1ccc(F)cc1Cl ZINC000775607889 1135321153 /nfs/dbraw/zinc/32/11/53/1135321153.db2.gz NXQXYORFVZMJJS-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO O[C@H](C[N@H+]1CCOC2(CCCCC2)C1)c1ccc(F)cc1Cl ZINC000775607889 1135321156 /nfs/dbraw/zinc/32/11/56/1135321156.db2.gz NXQXYORFVZMJJS-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO CC[N@H+](Cc1cn(Cc2ccccc2)nn1)[C@H](C)c1cccc(O)c1 ZINC000775615110 1135323919 /nfs/dbraw/zinc/32/39/19/1135323919.db2.gz SZNYETROYCKHFC-MRXNPFEDSA-N 1 2 336.439 3.615 20 0 EHADLO CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)[C@H](C)c1cccc(O)c1 ZINC000775615110 1135323923 /nfs/dbraw/zinc/32/39/23/1135323923.db2.gz SZNYETROYCKHFC-MRXNPFEDSA-N 1 2 336.439 3.615 20 0 EHADLO CCCCOC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000805781248 1135325778 /nfs/dbraw/zinc/32/57/78/1135325778.db2.gz PZRYPHFBUBSTEZ-OAHLLOKOSA-N 1 2 335.448 3.598 20 0 EHADLO CCCCOC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000805781248 1135325786 /nfs/dbraw/zinc/32/57/86/1135325786.db2.gz PZRYPHFBUBSTEZ-OAHLLOKOSA-N 1 2 335.448 3.598 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805792830 1135328149 /nfs/dbraw/zinc/32/81/49/1135328149.db2.gz HOLZKVUUEAXDIT-LSDHHAIUSA-N 1 2 333.863 3.751 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805792830 1135328152 /nfs/dbraw/zinc/32/81/52/1135328152.db2.gz HOLZKVUUEAXDIT-LSDHHAIUSA-N 1 2 333.863 3.751 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[C@H]2c2nccs2)c1 ZINC001194895695 1135336552 /nfs/dbraw/zinc/33/65/52/1135336552.db2.gz WKTWQTSSZWNWBO-HNNXBMFYSA-N 1 2 338.436 3.521 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[C@@H]2c2nccs2)c1 ZINC001194895697 1135337067 /nfs/dbraw/zinc/33/70/67/1135337067.db2.gz WKTWQTSSZWNWBO-OAHLLOKOSA-N 1 2 338.436 3.521 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001194905315 1135338000 /nfs/dbraw/zinc/33/80/00/1135338000.db2.gz HJGADTBGYGYJSC-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001194905315 1135338006 /nfs/dbraw/zinc/33/80/06/1135338006.db2.gz HJGADTBGYGYJSC-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC001194887216 1135343277 /nfs/dbraw/zinc/34/32/77/1135343277.db2.gz LALUDGVXMHMMHX-LJQANCHMSA-N 1 2 331.419 3.895 20 0 EHADLO C[C@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)NC(=O)OC(C)(C)C ZINC000805842002 1135344558 /nfs/dbraw/zinc/34/45/58/1135344558.db2.gz XVKRAXVWTRLLPB-OAHLLOKOSA-N 1 2 343.471 3.760 20 0 EHADLO C[C@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)NC(=O)OC(C)(C)C ZINC000805842002 1135344563 /nfs/dbraw/zinc/34/45/63/1135344563.db2.gz XVKRAXVWTRLLPB-OAHLLOKOSA-N 1 2 343.471 3.760 20 0 EHADLO Clc1c(Br)cccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC001195021282 1135354359 /nfs/dbraw/zinc/35/43/59/1135354359.db2.gz HHTJQSXEIAYSRG-YPMHNXCESA-N 1 2 330.653 3.713 20 0 EHADLO Clc1c(Br)cccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC001195021282 1135354365 /nfs/dbraw/zinc/35/43/65/1135354365.db2.gz HHTJQSXEIAYSRG-YPMHNXCESA-N 1 2 330.653 3.713 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cnccc1OC(C)C)c1ccccc1 ZINC000806102597 1135386208 /nfs/dbraw/zinc/38/62/08/1135386208.db2.gz ANYXFINFDUUZCX-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cnccc1OC(C)C)c1ccccc1 ZINC000806102597 1135386212 /nfs/dbraw/zinc/38/62/12/1135386212.db2.gz ANYXFINFDUUZCX-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1OC ZINC000775651211 1135416047 /nfs/dbraw/zinc/41/60/47/1135416047.db2.gz RZANNLJHUKSGQA-LJQANCHMSA-N 1 2 336.439 3.576 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(F)cc1Cl ZINC000775651715 1135422859 /nfs/dbraw/zinc/42/28/59/1135422859.db2.gz ZKGMIRXRCSSGPC-HNNXBMFYSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(F)cc1Cl ZINC000775651715 1135422864 /nfs/dbraw/zinc/42/28/64/1135422864.db2.gz ZKGMIRXRCSSGPC-HNNXBMFYSA-N 1 2 345.842 3.565 20 0 EHADLO Cc1cc[nH]c1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001195505684 1135435742 /nfs/dbraw/zinc/43/57/42/1135435742.db2.gz LLURBOUZIHXCRR-AWEZNQCLSA-N 1 2 340.254 3.663 20 0 EHADLO CCOC(=O)c1csc(/C=C\c2cc(-n3cc[nH+]c3)cs2)n1 ZINC000806562761 1135460751 /nfs/dbraw/zinc/46/07/51/1135460751.db2.gz MBFWAEVGFZMUHR-ARJAWSKDSA-N 1 2 331.422 3.737 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](CC)CO1 ZINC001195860401 1135476373 /nfs/dbraw/zinc/47/63/73/1135476373.db2.gz BPQWXZLEIQNQDY-WOSRLPQWSA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](CC)CO1 ZINC001195860401 1135476377 /nfs/dbraw/zinc/47/63/77/1135476377.db2.gz BPQWXZLEIQNQDY-WOSRLPQWSA-N 1 2 332.271 3.916 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c(N(C)C)[nH+]1 ZINC000775683828 1135505528 /nfs/dbraw/zinc/50/55/28/1135505528.db2.gz WAXRLDILAZVZDO-NWDGAFQWSA-N 1 2 344.381 3.651 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC001196149429 1135522090 /nfs/dbraw/zinc/52/20/90/1135522090.db2.gz BIJCRJUGZSFAEE-UHFFFAOYSA-N 1 2 339.410 3.659 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC001196149429 1135522093 /nfs/dbraw/zinc/52/20/93/1135522093.db2.gz BIJCRJUGZSFAEE-UHFFFAOYSA-N 1 2 339.410 3.659 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC001196159822 1135526076 /nfs/dbraw/zinc/52/60/76/1135526076.db2.gz VCTDVPUUOWKEFZ-GFCCVEGCSA-N 1 2 342.302 3.970 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC001196159822 1135526080 /nfs/dbraw/zinc/52/60/80/1135526080.db2.gz VCTDVPUUOWKEFZ-GFCCVEGCSA-N 1 2 342.302 3.970 20 0 EHADLO S=C(Nc1ccc(Br)cc1)Nc1ccn2cc[nH+]c2c1 ZINC001196602860 1135583242 /nfs/dbraw/zinc/58/32/42/1135583242.db2.gz OMBQIIDGYDYBNC-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@@H+](CCOC1CCC1)C2 ZINC001196639103 1135591892 /nfs/dbraw/zinc/59/18/92/1135591892.db2.gz LJFWINXWXKGJSN-UHFFFAOYSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@H+](CCOC1CCC1)C2 ZINC001196639103 1135591896 /nfs/dbraw/zinc/59/18/96/1135591896.db2.gz LJFWINXWXKGJSN-UHFFFAOYSA-N 1 2 328.225 3.515 20 0 EHADLO CCCCCC[C@](CC)([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)C(=O)OCC ZINC001170538563 1135594382 /nfs/dbraw/zinc/59/43/82/1135594382.db2.gz JNNDIKSNJKQETG-GJYPPUQNSA-N 1 2 341.492 3.600 20 0 EHADLO OC1CCN(c2ccc(NC3=CC[C@H](C(F)(F)F)CC3)c[nH+]2)CC1 ZINC001196768573 1135604585 /nfs/dbraw/zinc/60/45/85/1135604585.db2.gz SCEPAXLECVBYON-LBPRGKRZSA-N 1 2 341.377 3.701 20 0 EHADLO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000808134823 1135621189 /nfs/dbraw/zinc/62/11/89/1135621189.db2.gz AIAUTIDRBPDXOU-CQSZACIVSA-N 1 2 329.469 3.792 20 0 EHADLO CC1(C)CCC(=O)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000808134823 1135621192 /nfs/dbraw/zinc/62/11/92/1135621192.db2.gz AIAUTIDRBPDXOU-CQSZACIVSA-N 1 2 329.469 3.792 20 0 EHADLO O[C@@H]1c2ccccc2OC[C@@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000808171881 1135630471 /nfs/dbraw/zinc/63/04/71/1135630471.db2.gz NFVZYKOFTWTWQT-MAUKXSAKSA-N 1 2 326.783 3.795 20 0 EHADLO CCOC1CC([N@H+](C)Cn2c(=S)snc2-c2ccccc2)C1 ZINC000808213500 1135630733 /nfs/dbraw/zinc/63/07/33/1135630733.db2.gz KRHPAQAYILWNJZ-UHFFFAOYSA-N 1 2 335.498 3.798 20 0 EHADLO CCOC1CC([N@@H+](C)Cn2c(=S)snc2-c2ccccc2)C1 ZINC000808213500 1135630737 /nfs/dbraw/zinc/63/07/37/1135630737.db2.gz KRHPAQAYILWNJZ-UHFFFAOYSA-N 1 2 335.498 3.798 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2Cc3ccccc3C(C)(C)C2)[C@H]1c1ccncc1 ZINC000808174187 1135631105 /nfs/dbraw/zinc/63/11/05/1135631105.db2.gz QPHLFZHLXRZMKN-IBGZPJMESA-N 1 2 349.478 3.742 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2Cc3ccccc3C(C)(C)C2)[C@H]1c1ccncc1 ZINC000808174187 1135631108 /nfs/dbraw/zinc/63/11/08/1135631108.db2.gz QPHLFZHLXRZMKN-IBGZPJMESA-N 1 2 349.478 3.742 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001197229310 1135662219 /nfs/dbraw/zinc/66/22/19/1135662219.db2.gz DTBSZMJBJZMPLJ-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001197229310 1135662221 /nfs/dbraw/zinc/66/22/21/1135662221.db2.gz DTBSZMJBJZMPLJ-CABCVRRESA-N 1 2 330.255 3.652 20 0 EHADLO CCCCC[C@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001273743338 1135692337 /nfs/dbraw/zinc/69/23/37/1135692337.db2.gz XZEZTFOLMYJIQV-KRWDZBQOSA-N 1 2 331.504 3.656 20 0 EHADLO Cc1cn2c(cccc2NC(=S)NCc2ccc(Cl)cc2)[nH+]1 ZINC001197546353 1135704049 /nfs/dbraw/zinc/70/40/49/1135704049.db2.gz BRNUATSRWHEYIL-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CCc1cc(NC(=S)Nc2ccccc2Br)cc[nH+]1 ZINC001197762823 1135729915 /nfs/dbraw/zinc/72/99/15/1135729915.db2.gz VUFSGQXXIAWGAD-UHFFFAOYSA-N 1 2 336.258 3.637 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CN=S(C)(C)=O)CC1 ZINC001197946457 1135756283 /nfs/dbraw/zinc/75/62/83/1135756283.db2.gz ARYHPVWQMBWXOT-GFCCVEGCSA-N 1 2 346.899 3.980 20 0 EHADLO Cc1conc1C[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001198406080 1135811383 /nfs/dbraw/zinc/81/13/83/1135811383.db2.gz FQYOQMUUXKRUDO-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO Cc1conc1C[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001198406080 1135811388 /nfs/dbraw/zinc/81/13/88/1135811388.db2.gz FQYOQMUUXKRUDO-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)c(F)cc1Br ZINC000809275157 1135813432 /nfs/dbraw/zinc/81/34/32/1135813432.db2.gz WWTOSLWVLDEVIT-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CCN(c1ccc(NC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000809278016 1135813965 /nfs/dbraw/zinc/81/39/65/1135813965.db2.gz KGOOWVMVIVMRQE-MRXNPFEDSA-N 1 2 343.475 3.576 20 0 EHADLO C[C@]1(C2CC2)COCC[N@@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198499188 1135823430 /nfs/dbraw/zinc/82/34/30/1135823430.db2.gz SNQPPZPPBRBEGT-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@]1(C2CC2)COCC[N@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198499188 1135823434 /nfs/dbraw/zinc/82/34/34/1135823434.db2.gz SNQPPZPPBRBEGT-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO CC[C@@H]1CCC[C@@]1(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131737165 1135845833 /nfs/dbraw/zinc/84/58/33/1135845833.db2.gz KOCKCCOZXAZMTL-WIYYLYMNSA-N 1 2 344.499 3.556 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c(C)c1OC ZINC000809582378 1135853895 /nfs/dbraw/zinc/85/38/95/1135853895.db2.gz XKSFOANVXRYBKX-KXBFYZLASA-N 1 2 341.451 3.974 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c(C)c1OC ZINC000809582378 1135853899 /nfs/dbraw/zinc/85/38/99/1135853899.db2.gz XKSFOANVXRYBKX-KXBFYZLASA-N 1 2 341.451 3.974 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000809721478 1135878515 /nfs/dbraw/zinc/87/85/15/1135878515.db2.gz RYPLAMMJKBOWQJ-ZDUSSCGKSA-N 1 2 343.456 3.645 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000809721478 1135878517 /nfs/dbraw/zinc/87/85/17/1135878517.db2.gz RYPLAMMJKBOWQJ-ZDUSSCGKSA-N 1 2 343.456 3.645 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(F)(F)c2ccccc2)CC1 ZINC001131838911 1135879509 /nfs/dbraw/zinc/87/95/09/1135879509.db2.gz MPRBJHGUJKDQAS-INIZCTEOSA-N 1 2 344.405 3.684 20 0 EHADLO Cc1nonc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000809744596 1135884049 /nfs/dbraw/zinc/88/40/49/1135884049.db2.gz TVRZYMXRAKMEQP-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cn1 ZINC000809753204 1135885700 /nfs/dbraw/zinc/88/57/00/1135885700.db2.gz ZZZCFSMNFZBSCV-MRXNPFEDSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cn1 ZINC000809753204 1135885703 /nfs/dbraw/zinc/88/57/03/1135885703.db2.gz ZZZCFSMNFZBSCV-MRXNPFEDSA-N 1 2 343.450 3.766 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)s1 ZINC000775968646 1135906666 /nfs/dbraw/zinc/90/66/66/1135906666.db2.gz LOJFXOANMCVCBL-OLZOCXBDSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)s1 ZINC000775968646 1135906667 /nfs/dbraw/zinc/90/66/67/1135906667.db2.gz LOJFXOANMCVCBL-OLZOCXBDSA-N 1 2 339.505 3.535 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)nn1C ZINC001199583202 1135915351 /nfs/dbraw/zinc/91/53/51/1135915351.db2.gz VNLGRFLLTCEZMV-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO O=C(C1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1)C(F)(F)F ZINC000776009132 1135919471 /nfs/dbraw/zinc/91/94/71/1135919471.db2.gz QPIZXHIKAOGTQJ-OWOJBTEDSA-N 1 2 333.300 3.821 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)C1=CC=CC1)c1ccc(Cl)cc1Cl ZINC001199695424 1135924238 /nfs/dbraw/zinc/92/42/38/1135924238.db2.gz MUECGKWEJBYBCC-OAHLLOKOSA-N 1 2 325.239 3.599 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126270 1135924517 /nfs/dbraw/zinc/92/45/17/1135924517.db2.gz DWFMGMKAXWBKPW-CQSZACIVSA-N 1 2 339.439 3.920 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810132183 1135925836 /nfs/dbraw/zinc/92/58/36/1135925836.db2.gz JGDMRSITNWCSKE-ZIAGYGMSSA-N 1 2 342.443 3.561 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccon2)C(C)C)c(Br)c1 ZINC000810220866 1135939635 /nfs/dbraw/zinc/93/96/35/1135939635.db2.gz GARRQCAVWVXUKE-HNNXBMFYSA-N 1 2 339.233 3.933 20 0 EHADLO Cc1ccc(C2=CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000810228217 1135941050 /nfs/dbraw/zinc/94/10/50/1135941050.db2.gz CRNHHKRWKRZRCB-UHFFFAOYSA-N 1 2 332.407 3.964 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)s1 ZINC000810260771 1135944751 /nfs/dbraw/zinc/94/47/51/1135944751.db2.gz PACXRDWGLDETKO-JTQLQIEISA-N 1 2 325.865 3.922 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccnc(Cl)c2C)c1C ZINC000810286144 1135951961 /nfs/dbraw/zinc/95/19/61/1135951961.db2.gz OZCBYIBOYKDXAI-UHFFFAOYSA-N 1 2 348.834 3.728 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(F)CCCCC3)CC2)c1 ZINC000810348126 1135958240 /nfs/dbraw/zinc/95/82/40/1135958240.db2.gz IPZPSPMJJRUREW-INIZCTEOSA-N 1 2 348.462 3.573 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000810550969 1135971416 /nfs/dbraw/zinc/97/14/16/1135971416.db2.gz KACHFXCXYDKBQG-CFVMTHIKSA-N 1 2 346.368 3.571 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000810550969 1135971417 /nfs/dbraw/zinc/97/14/17/1135971417.db2.gz KACHFXCXYDKBQG-CFVMTHIKSA-N 1 2 346.368 3.571 20 0 EHADLO CN(C)c1cc(COC(=O)CCCc2ccccc2Cl)cc[nH+]1 ZINC000810665163 1135991309 /nfs/dbraw/zinc/99/13/09/1135991309.db2.gz RNVZLBOZWLRCRQ-UHFFFAOYSA-N 1 2 332.831 3.867 20 0 EHADLO C[C@@H]1CCC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C ZINC000810659951 1135995013 /nfs/dbraw/zinc/99/50/13/1135995013.db2.gz BKXQPMWACXOPQO-JTDSTZFVSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001201201724 1135995244 /nfs/dbraw/zinc/99/52/44/1135995244.db2.gz BQNUBMAIASERMP-KRWDZBQOSA-N 1 2 327.453 3.549 20 0 EHADLO Cc1ccc(C)c(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747660764 1136027686 /nfs/dbraw/zinc/02/76/86/1136027686.db2.gz XIBFBXFGMWDHCL-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO CCC[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132589148 1136041609 /nfs/dbraw/zinc/04/16/09/1136041609.db2.gz FXTRJMKXOGXZAV-TZIWHRDSSA-N 1 2 346.515 3.528 20 0 EHADLO CCC[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132589148 1136041611 /nfs/dbraw/zinc/04/16/11/1136041611.db2.gz FXTRJMKXOGXZAV-TZIWHRDSSA-N 1 2 346.515 3.528 20 0 EHADLO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC1(Cl)Cl ZINC000747682367 1136053392 /nfs/dbraw/zinc/05/33/92/1136053392.db2.gz ZPVSDIKQLUKAMK-LLVKDONJSA-N 1 2 340.254 3.740 20 0 EHADLO CC(C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC1(Cl)Cl ZINC000747682367 1136053396 /nfs/dbraw/zinc/05/33/96/1136053396.db2.gz ZPVSDIKQLUKAMK-LLVKDONJSA-N 1 2 340.254 3.740 20 0 EHADLO Cc1cccc(Br)c1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000811269980 1136066520 /nfs/dbraw/zinc/06/65/20/1136066520.db2.gz FQLKZWYUHZAZSJ-UHFFFAOYSA-N 1 2 349.228 3.576 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)N[C@@H]3C[C@H]3c3ccccc3)c[nH+]c12 ZINC001201940314 1136074070 /nfs/dbraw/zinc/07/40/70/1136074070.db2.gz MXRNBRBDMBHHRA-BHYGNILZSA-N 1 2 334.423 3.559 20 0 EHADLO CCc1ccsc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814871 1136087667 /nfs/dbraw/zinc/08/76/67/1136087667.db2.gz DVSBNOGFOHEQQI-INIZCTEOSA-N 1 2 325.437 3.678 20 0 EHADLO Cc1cc(NC(=O)NCCCOc2ccc3ccccc3c2)c(C)c[nH+]1 ZINC001202244209 1136119543 /nfs/dbraw/zinc/11/95/43/1136119543.db2.gz GUFNTRAXJYILOQ-UHFFFAOYSA-N 1 2 349.434 3.864 20 0 EHADLO O=C(Nc1ccc(Br)cc1)Nc1ccc2[nH+]ccn2c1 ZINC001202325976 1136129403 /nfs/dbraw/zinc/12/94/03/1136129403.db2.gz BMWHHYMNPIHGLS-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](CC(C)C)C3CC3)c(=O)cc2C)cc1 ZINC000811732396 1136132158 /nfs/dbraw/zinc/13/21/58/1136132158.db2.gz QWSWUUKICMBVTN-UHFFFAOYSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](CC(C)C)C3CC3)c(=O)cc2C)cc1 ZINC000811732396 1136132159 /nfs/dbraw/zinc/13/21/59/1136132159.db2.gz QWSWUUKICMBVTN-UHFFFAOYSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869053 1136154471 /nfs/dbraw/zinc/15/44/71/1136154471.db2.gz ZGOSPKAKZSWINR-YPMHNXCESA-N 1 2 326.387 3.625 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869053 1136154473 /nfs/dbraw/zinc/15/44/73/1136154473.db2.gz ZGOSPKAKZSWINR-YPMHNXCESA-N 1 2 326.387 3.625 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2CCCCCCC2)s1 ZINC000106878143 1136155141 /nfs/dbraw/zinc/15/51/41/1136155141.db2.gz UZGCCFGXNYMDEX-AWEZNQCLSA-N 1 2 337.533 3.982 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2CCCCCCC2)s1 ZINC000106878143 1136155143 /nfs/dbraw/zinc/15/51/43/1136155143.db2.gz UZGCCFGXNYMDEX-AWEZNQCLSA-N 1 2 337.533 3.982 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000338925292 1136181253 /nfs/dbraw/zinc/18/12/53/1136181253.db2.gz ZQEYRUMLDBESCJ-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)c1 ZINC000338925292 1136181255 /nfs/dbraw/zinc/18/12/55/1136181255.db2.gz ZQEYRUMLDBESCJ-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1OCc1ccncc1 ZINC000850051034 1136203229 /nfs/dbraw/zinc/20/32/29/1136203229.db2.gz IQDKXUKWJGBOSR-UHFFFAOYSA-N 1 2 338.411 3.621 20 0 EHADLO CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@H]1CCOC1 ZINC000812780430 1136246677 /nfs/dbraw/zinc/24/66/77/1136246677.db2.gz DQBREZIUSPVWRH-INIZCTEOSA-N 1 2 333.863 3.504 20 0 EHADLO CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@H]1CCOC1 ZINC000812780430 1136246681 /nfs/dbraw/zinc/24/66/81/1136246681.db2.gz DQBREZIUSPVWRH-INIZCTEOSA-N 1 2 333.863 3.504 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ncc(Br)s1 ZINC000850527797 1136278506 /nfs/dbraw/zinc/27/85/06/1136278506.db2.gz HLYVTJNXDLNIFO-KPXOXKRLSA-N 1 2 339.258 3.735 20 0 EHADLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000007466265 1136281903 /nfs/dbraw/zinc/28/19/03/1136281903.db2.gz IWANZNAGSKVELP-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO C[C@@H]1CC[C@@](C)(/C=C/C(=O)NCc2nc(C[NH+](C)C)cs2)C1(C)C ZINC001133651280 1136303202 /nfs/dbraw/zinc/30/32/02/1136303202.db2.gz ALHJFFXRNAWELH-XGKLZFSYSA-N 1 2 349.544 3.840 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccc(C(F)F)cc2)cc1 ZINC000885583783 1136323652 /nfs/dbraw/zinc/32/36/52/1136323652.db2.gz COJLRTGNMDDWRJ-QGZVFWFLSA-N 1 2 346.377 3.846 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccc(C(F)F)cc2)cc1 ZINC000885583783 1136323658 /nfs/dbraw/zinc/32/36/58/1136323658.db2.gz COJLRTGNMDDWRJ-QGZVFWFLSA-N 1 2 346.377 3.846 20 0 EHADLO CCc1cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)ccc1O ZINC000813422123 1136334918 /nfs/dbraw/zinc/33/49/18/1136334918.db2.gz RRQZMPSKRGMYAK-UHFFFAOYSA-N 1 2 333.457 3.505 20 0 EHADLO CCC(C)(C)[NH2+][C@H](C)C(=O)Oc1ccc(Br)cc1OC ZINC000813811192 1136366066 /nfs/dbraw/zinc/36/60/66/1136366066.db2.gz UAJQYPZTLGCZJO-SNVBAGLBSA-N 1 2 344.249 3.530 20 0 EHADLO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CCC2 ZINC000813866242 1136368911 /nfs/dbraw/zinc/36/89/11/1136368911.db2.gz NCEFSHVRXILCPM-LSDHHAIUSA-N 1 2 331.489 3.858 20 0 EHADLO O=C(/C=C/c1ccsc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398048 1136376259 /nfs/dbraw/zinc/37/62/59/1136376259.db2.gz OKTUNYQKCAEVQN-SNAWJCMRSA-N 1 2 328.437 3.616 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](CC)Cc2cccc(F)c2)sc1C ZINC000338940204 1136394569 /nfs/dbraw/zinc/39/45/69/1136394569.db2.gz VESFTGSPTYVUDD-UHFFFAOYSA-N 1 2 335.448 3.614 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](CC)Cc2cccc(F)c2)sc1C ZINC000338940204 1136394574 /nfs/dbraw/zinc/39/45/74/1136394574.db2.gz VESFTGSPTYVUDD-UHFFFAOYSA-N 1 2 335.448 3.614 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(F)nc1 ZINC000814177619 1136411565 /nfs/dbraw/zinc/41/15/65/1136411565.db2.gz IUDMVFAQHVLUMW-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(F)nc1 ZINC000814177619 1136411568 /nfs/dbraw/zinc/41/15/68/1136411568.db2.gz IUDMVFAQHVLUMW-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000747905295 1136413762 /nfs/dbraw/zinc/41/37/62/1136413762.db2.gz XXPHFWRCYNHOPZ-UHFFFAOYSA-N 1 2 344.471 3.567 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000747905295 1136413764 /nfs/dbraw/zinc/41/37/64/1136413764.db2.gz XXPHFWRCYNHOPZ-UHFFFAOYSA-N 1 2 344.471 3.567 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1C ZINC000852031779 1136428271 /nfs/dbraw/zinc/42/82/71/1136428271.db2.gz XSOGCFBMAOUAJJ-QGZVFWFLSA-N 1 2 343.402 3.503 20 0 EHADLO CCc1oc(C[NH2+]Cc2c(F)cccc2Cl)cc1C(=O)OC ZINC000338941558 1136428597 /nfs/dbraw/zinc/42/85/97/1136428597.db2.gz ARUJDPSZFOPREB-UHFFFAOYSA-N 1 2 325.767 3.711 20 0 EHADLO CC1(C)OC[C@@H](C[N@@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156772 1136437204 /nfs/dbraw/zinc/43/72/04/1136437204.db2.gz QUYFKJBTLRSZCY-CJNGLKHVSA-N 1 2 349.862 3.895 20 0 EHADLO CC1(C)OC[C@@H](C[N@H+]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156772 1136437206 /nfs/dbraw/zinc/43/72/06/1136437206.db2.gz QUYFKJBTLRSZCY-CJNGLKHVSA-N 1 2 349.862 3.895 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccc(OC)c1 ZINC000852443411 1136456612 /nfs/dbraw/zinc/45/66/12/1136456612.db2.gz KLQZJOYLTHIKBT-HNNXBMFYSA-N 1 2 341.238 3.874 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2Cl)cc1F ZINC000852520343 1136462372 /nfs/dbraw/zinc/46/23/72/1136462372.db2.gz CURKHHNLRDGWKC-HNNXBMFYSA-N 1 2 337.826 3.867 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(C)nn(C)c2Cl)cc1F ZINC000852520343 1136462373 /nfs/dbraw/zinc/46/23/73/1136462373.db2.gz CURKHHNLRDGWKC-HNNXBMFYSA-N 1 2 337.826 3.867 20 0 EHADLO C[S@](=O)CC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564957 1136467306 /nfs/dbraw/zinc/46/73/06/1136467306.db2.gz VHJVZVJZHJOALP-IERDGZPVSA-N 1 2 339.913 3.728 20 0 EHADLO C[S@](=O)CC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564957 1136467310 /nfs/dbraw/zinc/46/73/10/1136467310.db2.gz VHJVZVJZHJOALP-IERDGZPVSA-N 1 2 339.913 3.728 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnsc1Cl)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731925 1136481584 /nfs/dbraw/zinc/48/15/84/1136481584.db2.gz NXWGEFJUOKPMEQ-OLZOCXBDSA-N 1 2 346.283 3.693 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747970637 1136494279 /nfs/dbraw/zinc/49/42/79/1136494279.db2.gz SWRCRLGABZGBAV-OAHLLOKOSA-N 1 2 346.906 3.709 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747970637 1136494281 /nfs/dbraw/zinc/49/42/81/1136494281.db2.gz SWRCRLGABZGBAV-OAHLLOKOSA-N 1 2 346.906 3.709 20 0 EHADLO CSCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000814716693 1136497616 /nfs/dbraw/zinc/49/76/16/1136497616.db2.gz PPBSLYCUDIAGDO-SNVBAGLBSA-N 1 2 342.921 3.956 20 0 EHADLO COc1c(C)ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000747975761 1136503933 /nfs/dbraw/zinc/50/39/33/1136503933.db2.gz BRKRJNSICVMZPU-UHFFFAOYSA-N 1 2 343.427 3.654 20 0 EHADLO O[C@@H](C[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067156 1136505436 /nfs/dbraw/zinc/50/54/36/1136505436.db2.gz PUXMXYOKSOENPB-FUHWJXTLSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@@H](C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067156 1136505438 /nfs/dbraw/zinc/50/54/38/1136505438.db2.gz PUXMXYOKSOENPB-FUHWJXTLSA-N 1 2 330.378 3.620 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)C[C@H]1c1ccccc1)CCC2 ZINC000111173284 1136519174 /nfs/dbraw/zinc/51/91/74/1136519174.db2.gz WGRLAUMCEIXDBP-SJORKVTESA-N 1 2 341.480 3.692 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1)CCC2 ZINC000111173284 1136519176 /nfs/dbraw/zinc/51/91/76/1136519176.db2.gz WGRLAUMCEIXDBP-SJORKVTESA-N 1 2 341.480 3.692 20 0 EHADLO CCC(CC)([NH2+]Cn1nc(C)oc1=O)c1ccc(Cl)c(Cl)c1 ZINC000853493569 1136537621 /nfs/dbraw/zinc/53/76/21/1136537621.db2.gz FCGHIMZPUUBQBU-UHFFFAOYSA-N 1 2 344.242 3.714 20 0 EHADLO C[N@H+](Cc1ccnc(Br)c1)Cc1ccc(F)cc1F ZINC000815016098 1136537827 /nfs/dbraw/zinc/53/78/27/1136537827.db2.gz YFELOOIOCXMYJG-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO C[N@@H+](Cc1ccnc(Br)c1)Cc1ccc(F)cc1F ZINC000815016098 1136537829 /nfs/dbraw/zinc/53/78/29/1136537829.db2.gz YFELOOIOCXMYJG-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+](C)CC3=CCCOC3)c2=S)cc1C ZINC000853561407 1136544127 /nfs/dbraw/zinc/54/41/27/1136544127.db2.gz BQBZZRKQMQCGNT-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+](C)CC3=CCCOC3)c2=S)cc1C ZINC000853561407 1136544129 /nfs/dbraw/zinc/54/41/29/1136544129.db2.gz BQBZZRKQMQCGNT-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000853562813 1136544569 /nfs/dbraw/zinc/54/45/69/1136544569.db2.gz FWVIAKDOMYKLAR-UHFFFAOYSA-N 1 2 336.427 3.836 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000853562813 1136544573 /nfs/dbraw/zinc/54/45/73/1136544573.db2.gz FWVIAKDOMYKLAR-UHFFFAOYSA-N 1 2 336.427 3.836 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)C[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000853611289 1136549873 /nfs/dbraw/zinc/54/98/73/1136549873.db2.gz XOMJZWXJXSKNKA-INIZCTEOSA-N 1 2 342.512 3.931 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)C[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000853611289 1136549874 /nfs/dbraw/zinc/54/98/74/1136549874.db2.gz XOMJZWXJXSKNKA-INIZCTEOSA-N 1 2 342.512 3.931 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627002 1136550337 /nfs/dbraw/zinc/55/03/37/1136550337.db2.gz MASALNPFXODMSW-ZDUSSCGKSA-N 1 2 334.464 3.693 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627002 1136550340 /nfs/dbraw/zinc/55/03/40/1136550340.db2.gz MASALNPFXODMSW-ZDUSSCGKSA-N 1 2 334.464 3.693 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc3c(c2)COC3)C[C@](C)(C(F)(F)F)O1 ZINC000815147141 1136562603 /nfs/dbraw/zinc/56/26/03/1136562603.db2.gz XJQQPWFKUGVCPT-MRXNPFEDSA-N 1 2 329.362 3.649 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc3c(c2)COC3)C[C@](C)(C(F)(F)F)O1 ZINC000815147141 1136562606 /nfs/dbraw/zinc/56/26/06/1136562606.db2.gz XJQQPWFKUGVCPT-MRXNPFEDSA-N 1 2 329.362 3.649 20 0 EHADLO CC1(C)C[N@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1ccncc1 ZINC000854038806 1136582420 /nfs/dbraw/zinc/58/24/20/1136582420.db2.gz CWINBDVVOGPZOV-ZWKOTPCHSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1ccncc1 ZINC000854038806 1136582422 /nfs/dbraw/zinc/58/24/22/1136582422.db2.gz CWINBDVVOGPZOV-ZWKOTPCHSA-N 1 2 343.471 3.618 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c(OC)c1 ZINC000815650590 1136626327 /nfs/dbraw/zinc/62/63/27/1136626327.db2.gz VZROQBUPZMTOQI-SNVBAGLBSA-N 1 2 325.330 3.972 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000265980763 1136698228 /nfs/dbraw/zinc/69/82/28/1136698228.db2.gz YUNSJWPFSVVFLR-CHWSQXEVSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)ccn12 ZINC000855545134 1136703430 /nfs/dbraw/zinc/70/34/30/1136703430.db2.gz HOPPCLFNDPWHIJ-SFHVURJKSA-N 1 2 335.407 3.655 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3c(F)ccc(O)c3F)CC2)c1C ZINC000816515813 1136730137 /nfs/dbraw/zinc/73/01/37/1136730137.db2.gz LSQRLYVWTZISDG-UHFFFAOYSA-N 1 2 347.405 3.771 20 0 EHADLO Cc1nc(Cl)ccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000816602194 1136740270 /nfs/dbraw/zinc/74/02/70/1136740270.db2.gz MOKUZZLWCDKMPU-HDJSIYSDSA-N 1 2 344.846 3.592 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1[C@@H]1CCCOCC1 ZINC001170836882 1136745433 /nfs/dbraw/zinc/74/54/33/1136745433.db2.gz YOHBCPXBURCWHQ-QGZVFWFLSA-N 1 2 343.446 3.809 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1[C@@H]1CCCOCC1 ZINC001170836882 1136745435 /nfs/dbraw/zinc/74/54/35/1136745435.db2.gz YOHBCPXBURCWHQ-QGZVFWFLSA-N 1 2 343.446 3.809 20 0 EHADLO CC[C@H]1C[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)C[C@H](CC)O1 ZINC000817280809 1136790877 /nfs/dbraw/zinc/79/08/77/1136790877.db2.gz MHMIBYZNFMGOAY-GJZGRUSLSA-N 1 2 329.362 3.821 20 0 EHADLO CC[N@H+](CCS(=O)(=O)C1CCCCC1)[C@H](C)c1cccc(O)c1 ZINC000856727119 1136803715 /nfs/dbraw/zinc/80/37/15/1136803715.db2.gz JDHDZZCKWLTJKS-OAHLLOKOSA-N 1 2 339.501 3.523 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)C1CCCCC1)[C@H](C)c1cccc(O)c1 ZINC000856727119 1136803718 /nfs/dbraw/zinc/80/37/18/1136803718.db2.gz JDHDZZCKWLTJKS-OAHLLOKOSA-N 1 2 339.501 3.523 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)c1cnccn1 ZINC000856779389 1136810855 /nfs/dbraw/zinc/81/08/55/1136810855.db2.gz XGFRUUWUIUNJIG-DTWKUNHWSA-N 1 2 330.741 3.956 20 0 EHADLO CC1CCC(=CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000114636638 1136815114 /nfs/dbraw/zinc/81/51/14/1136815114.db2.gz RDLDGOPLHJEOAY-UHFFFAOYSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCc4cccnc4CC3)cc2)CCO1 ZINC000817584710 1136825668 /nfs/dbraw/zinc/82/56/68/1136825668.db2.gz DIXQUHIYZNOTDE-SJLPKXTDSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnc4n3CCCCC4)c2)[nH+]c1C ZINC000857020832 1136833500 /nfs/dbraw/zinc/83/35/00/1136833500.db2.gz GIDLAVPDHYAUKZ-UHFFFAOYSA-N 1 2 349.438 3.869 20 0 EHADLO Cn1cc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c(Cl)n1 ZINC000857047084 1136837049 /nfs/dbraw/zinc/83/70/49/1136837049.db2.gz XAMDMKSHWKIQKC-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO Cn1cc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c(Cl)n1 ZINC000857047084 1136837051 /nfs/dbraw/zinc/83/70/51/1136837051.db2.gz XAMDMKSHWKIQKC-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1N[C@@H](c1ccccc1)C(F)(F)F ZINC001170881886 1136842985 /nfs/dbraw/zinc/84/29/85/1136842985.db2.gz ANAPDEXJDYZDPQ-ZDUSSCGKSA-N 1 2 340.301 3.592 20 0 EHADLO COc1ccc(NCc2c[nH+]cn2C(C)C)cc1N1CCCCC1=O ZINC000818181145 1136863087 /nfs/dbraw/zinc/86/30/87/1136863087.db2.gz UIXWJYUHTJUFBO-UHFFFAOYSA-N 1 2 342.443 3.602 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(N)c1Cl ZINC001136134914 1136870501 /nfs/dbraw/zinc/87/05/01/1136870501.db2.gz HODAYSNZHSDSKU-UHFFFAOYSA-N 1 2 326.787 3.669 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)n1 ZINC000818343407 1136873149 /nfs/dbraw/zinc/87/31/49/1136873149.db2.gz AZZDBPSHIJHMCR-CQSZACIVSA-N 1 2 336.892 3.977 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001136137569 1136876627 /nfs/dbraw/zinc/87/66/27/1136876627.db2.gz BRMGDTAUUZQFAS-QZTJIDSGSA-N 1 2 333.391 3.731 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001136137569 1136876630 /nfs/dbraw/zinc/87/66/30/1136876630.db2.gz BRMGDTAUUZQFAS-QZTJIDSGSA-N 1 2 333.391 3.731 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138369 1136876904 /nfs/dbraw/zinc/87/69/04/1136876904.db2.gz LCTLTLKHNRCHDD-QGZVFWFLSA-N 1 2 333.435 3.817 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138369 1136876908 /nfs/dbraw/zinc/87/69/08/1136876908.db2.gz LCTLTLKHNRCHDD-QGZVFWFLSA-N 1 2 333.435 3.817 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1 ZINC001136177819 1136899420 /nfs/dbraw/zinc/89/94/20/1136899420.db2.gz BZIIYSXCDONPDU-QGZVFWFLSA-N 1 2 348.450 3.795 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857244 1136914207 /nfs/dbraw/zinc/91/42/07/1136914207.db2.gz ROUMPHLDCGYWOI-GFCCVEGCSA-N 1 2 327.762 3.832 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857857244 1136914210 /nfs/dbraw/zinc/91/42/10/1136914210.db2.gz ROUMPHLDCGYWOI-GFCCVEGCSA-N 1 2 327.762 3.832 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000819408576 1136937148 /nfs/dbraw/zinc/93/71/48/1136937148.db2.gz ITSUAUUWQDPXGY-GOSISDBHSA-N 1 2 348.874 3.704 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nn1)c1ccccc1OC ZINC000858095711 1136939042 /nfs/dbraw/zinc/93/90/42/1136939042.db2.gz SLSULUQTVACFRJ-GOSISDBHSA-N 1 2 340.402 3.656 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001170933053 1136953831 /nfs/dbraw/zinc/95/38/31/1136953831.db2.gz JHMIBEHJUOJINS-AWEZNQCLSA-N 1 2 327.428 3.872 20 0 EHADLO COc1ccc(C=CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC ZINC000819627963 1136954175 /nfs/dbraw/zinc/95/41/75/1136954175.db2.gz IBGHNCMFWVEJMP-UITAMQMPSA-N 1 2 337.379 3.540 20 0 EHADLO CC(C)[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000819883436 1136964971 /nfs/dbraw/zinc/96/49/71/1136964971.db2.gz XBZQUUFNPWGDQG-XLIONFOSSA-N 1 2 348.450 3.840 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc3[nH+]ccn32)c(Br)c1 ZINC000777036355 1136975028 /nfs/dbraw/zinc/97/50/28/1136975028.db2.gz DJGZLJRUPOPGFP-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC[C@@H]2CCCC2(C)C)C1 ZINC000858648738 1136983989 /nfs/dbraw/zinc/98/39/89/1136983989.db2.gz RWNLPHDHTXSDPK-HOTGVXAUSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)C[C@@H](C(=O)NC[C@@H](C)c1nc2ccccc2o1)n1cc[nH+]c1 ZINC000820521829 1136995784 /nfs/dbraw/zinc/99/57/84/1136995784.db2.gz WPECYCCTKHWREJ-ZBFHGGJFSA-N 1 2 340.427 3.531 20 0 EHADLO CC[C@H](C)CCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001136385718 1137008497 /nfs/dbraw/zinc/00/84/97/1137008497.db2.gz FNLVLZYRESIURM-SFHVURJKSA-N 1 2 345.531 3.979 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(Cl)n(C)n2)CC2CC2)c(OC)c1 ZINC000859297545 1137010901 /nfs/dbraw/zinc/01/09/01/1137010901.db2.gz JSDNHCTTWPECAM-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(Cl)n(C)n2)CC2CC2)c(OC)c1 ZINC000859297545 1137010903 /nfs/dbraw/zinc/01/09/03/1137010903.db2.gz JSDNHCTTWPECAM-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H](O)c1ccc(Cl)cc1 ZINC000859360617 1137012739 /nfs/dbraw/zinc/01/27/39/1137012739.db2.gz FQTIPMKWVFBYNF-DLBZAZTESA-N 1 2 349.862 3.838 20 0 EHADLO COc1ccccc1C[NH2+]Cc1nc(Cl)ccc1Br ZINC000821212528 1137020585 /nfs/dbraw/zinc/02/05/85/1137020585.db2.gz GLGQTZXNJBFVHZ-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO O=Cc1c[nH]c2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc12 ZINC001136459473 1137030964 /nfs/dbraw/zinc/03/09/64/1137030964.db2.gz XCKCQIOCBFKOTK-UHFFFAOYSA-N 1 2 330.347 3.623 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859955028 1137038607 /nfs/dbraw/zinc/03/86/07/1137038607.db2.gz RKGSMPMJTDRQJF-JTNHKYCSSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859955028 1137038609 /nfs/dbraw/zinc/03/86/09/1137038609.db2.gz RKGSMPMJTDRQJF-JTNHKYCSSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)[C@@H]2CCC[C@H]21 ZINC000859955302 1137038663 /nfs/dbraw/zinc/03/86/63/1137038663.db2.gz UDWXKZBVKBQCAO-YNEHKIRRSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)[C@@H]2CCC[C@H]21 ZINC000859955302 1137038665 /nfs/dbraw/zinc/03/86/65/1137038665.db2.gz UDWXKZBVKBQCAO-YNEHKIRRSA-N 1 2 343.254 3.552 20 0 EHADLO COc1cccc([C@@H](O)C2CC[NH+](Cc3ncc(C(C)C)o3)CC2)c1 ZINC000860143228 1137046172 /nfs/dbraw/zinc/04/61/72/1137046172.db2.gz USBYXMMWTSEZBX-FQEVSTJZSA-N 1 2 344.455 3.752 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000822443276 1137059692 /nfs/dbraw/zinc/05/96/92/1137059692.db2.gz RTGZATMCIAYGCS-UHFFFAOYSA-N 1 2 340.414 3.762 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(OC(C)(C)C)c2)C1 ZINC000822479100 1137061546 /nfs/dbraw/zinc/06/15/46/1137061546.db2.gz NIILPEGZKAUQDJ-INIZCTEOSA-N 1 2 341.455 3.617 20 0 EHADLO CC(C)(NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCC1 ZINC001136599285 1137065363 /nfs/dbraw/zinc/06/53/63/1137065363.db2.gz DWVCZPJLROCDPV-UHFFFAOYSA-N 1 2 327.428 3.667 20 0 EHADLO O=C(Cc1csc(C2CCCC2)n1)Nc1ccn2cc[nH+]c2c1 ZINC000822593435 1137067311 /nfs/dbraw/zinc/06/73/11/1137067311.db2.gz BOFWSOZRTHIABT-UHFFFAOYSA-N 1 2 326.425 3.630 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccnc3ccccc23)c1C ZINC000117637199 1137068555 /nfs/dbraw/zinc/06/85/55/1137068555.db2.gz MILUQILXHRCHBM-CMDGGOBGSA-N 1 2 347.418 3.585 20 0 EHADLO CC(C)(C)Nc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)nc1 ZINC000822886610 1137077278 /nfs/dbraw/zinc/07/72/78/1137077278.db2.gz HPZKQGQPNYACDC-QGZVFWFLSA-N 1 2 349.438 3.729 20 0 EHADLO CCCCCc1cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)n[nH]1 ZINC000823224633 1137091454 /nfs/dbraw/zinc/09/14/54/1137091454.db2.gz UHSJDHMSMWHLDN-UHFFFAOYSA-N 1 2 349.504 3.693 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823317391 1137093795 /nfs/dbraw/zinc/09/37/95/1137093795.db2.gz NTNAZIJQYLAXRV-LLVKDONJSA-N 1 2 337.345 3.723 20 0 EHADLO CC[C@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823394267 1137097794 /nfs/dbraw/zinc/09/77/94/1137097794.db2.gz XTGJKXPXIIFQKZ-HIFRSBDPSA-N 1 2 345.443 3.538 20 0 EHADLO CC(C)c1ncsc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823399902 1137098315 /nfs/dbraw/zinc/09/83/15/1137098315.db2.gz CDEHHLCEMVDHSB-VIFPVBQESA-N 1 2 332.351 3.595 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)C(=O)OCc1ccccc1 ZINC001171017205 1137101096 /nfs/dbraw/zinc/10/10/96/1137101096.db2.gz GTGMLVGKFKRSDE-YOEHRIQHSA-N 1 2 343.854 3.919 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729008 1137102536 /nfs/dbraw/zinc/10/25/36/1137102536.db2.gz PEAUCDFGSLFFHX-VPAMFCPISA-N 1 2 326.484 3.526 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC1CCC1 ZINC000118216689 1137102920 /nfs/dbraw/zinc/10/29/20/1137102920.db2.gz ULOKOKJPARDBCK-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO Cc1cc(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000823533133 1137103427 /nfs/dbraw/zinc/10/34/27/1137103427.db2.gz FODGVCJTXIJYHK-OAHLLOKOSA-N 1 2 346.496 3.680 20 0 EHADLO Cc1cc([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1N(C)C ZINC000823533133 1137103428 /nfs/dbraw/zinc/10/34/28/1137103428.db2.gz FODGVCJTXIJYHK-OAHLLOKOSA-N 1 2 346.496 3.680 20 0 EHADLO Fc1c(C[NH2+]Cc2nc3ccccc3n2C2CC2)ccnc1Cl ZINC000824167411 1137127181 /nfs/dbraw/zinc/12/71/81/1137127181.db2.gz ODHSZGZFFUJKKF-UHFFFAOYSA-N 1 2 330.794 3.849 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863556 1137134190 /nfs/dbraw/zinc/13/41/90/1137134190.db2.gz HNZBMUOQXJTZTE-YEWDVWPNSA-N 1 2 346.858 3.985 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863556 1137134192 /nfs/dbraw/zinc/13/41/92/1137134192.db2.gz HNZBMUOQXJTZTE-YEWDVWPNSA-N 1 2 346.858 3.985 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136870954 1137138529 /nfs/dbraw/zinc/13/85/29/1137138529.db2.gz RKAXLMOOQSRMCX-INIZCTEOSA-N 1 2 349.862 3.826 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C[NH+]1CC2CC(C2)C1 ZINC001136900739 1137143345 /nfs/dbraw/zinc/14/33/45/1137143345.db2.gz UZQBHKIVYXUOPH-UHFFFAOYSA-N 1 2 337.851 3.924 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)s1 ZINC000824672809 1137147736 /nfs/dbraw/zinc/14/77/36/1137147736.db2.gz JYDNQLLUUMDKGC-LBPRGKRZSA-N 1 2 334.432 3.695 20 0 EHADLO CN(CC1C[NH+](Cc2nc3ccccc3s2)C1)C(=O)OC(C)(C)C ZINC001136948983 1137155551 /nfs/dbraw/zinc/15/55/51/1137155551.db2.gz WPLCPCOLGPHCNM-UHFFFAOYSA-N 1 2 347.484 3.595 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cc(F)ncc1F)c1cc(Cl)cc(Cl)c1 ZINC000825130288 1137167066 /nfs/dbraw/zinc/16/70/66/1137167066.db2.gz RTHRGTMPMMGUFO-HNNXBMFYSA-N 1 2 347.192 3.664 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cncc(Cl)c1 ZINC001136995473 1137167576 /nfs/dbraw/zinc/16/75/76/1137167576.db2.gz MXAMPAQZIXMBQR-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cncc(Cl)c1 ZINC001136995473 1137167577 /nfs/dbraw/zinc/16/75/77/1137167577.db2.gz MXAMPAQZIXMBQR-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC001136996569 1137168288 /nfs/dbraw/zinc/16/82/88/1137168288.db2.gz PRHAJAXLNWNLRK-UHFFFAOYSA-N 1 2 332.831 3.787 20 0 EHADLO COc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnc(OC)c(C)c2)cc1 ZINC001137004487 1137168821 /nfs/dbraw/zinc/16/88/21/1137168821.db2.gz AULCBKQCEZRUDK-SFHVURJKSA-N 1 2 344.480 3.697 20 0 EHADLO COc1ccc([C@@H]2CSCC[N@H+]2Cc2cnc(OC)c(C)c2)cc1 ZINC001137004487 1137168823 /nfs/dbraw/zinc/16/88/23/1137168823.db2.gz AULCBKQCEZRUDK-SFHVURJKSA-N 1 2 344.480 3.697 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CCCn2cc[nH+]c2)C1 ZINC000863257211 1137178347 /nfs/dbraw/zinc/17/83/47/1137178347.db2.gz PCNHXIADBXNVCF-QGZVFWFLSA-N 1 2 325.456 3.915 20 0 EHADLO Cc1csc(C2([NH2+]CN3C[C@H](c4ccccc4)OC3=O)CCC2)n1 ZINC000863263154 1137178697 /nfs/dbraw/zinc/17/86/97/1137178697.db2.gz MESHJPTYEALKKH-OAHLLOKOSA-N 1 2 343.452 3.571 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)c(OC(F)(F)F)c1)C2 ZINC001143362290 1137182632 /nfs/dbraw/zinc/18/26/32/1137182632.db2.gz UXNQTVMTSQCJSL-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143629219 1137184261 /nfs/dbraw/zinc/18/42/61/1137184261.db2.gz XMVDSGOVCKJRBF-UHFFFAOYSA-N 1 2 344.833 3.697 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143626002 1137185900 /nfs/dbraw/zinc/18/59/00/1137185900.db2.gz CUZUWXNCXLASIN-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(F)c(Cl)c1F)C2 ZINC001143626002 1137185901 /nfs/dbraw/zinc/18/59/01/1137185901.db2.gz CUZUWXNCXLASIN-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(F)c(Cl)c1F ZINC001143626202 1137185943 /nfs/dbraw/zinc/18/59/43/1137185943.db2.gz LTXPDFYILBRRIW-UHFFFAOYSA-N 1 2 343.757 3.777 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(F)c(Cl)c1F ZINC001143626202 1137185944 /nfs/dbraw/zinc/18/59/44/1137185944.db2.gz LTXPDFYILBRRIW-UHFFFAOYSA-N 1 2 343.757 3.777 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)ccn1 ZINC001143684317 1137187719 /nfs/dbraw/zinc/18/77/19/1137187719.db2.gz OJBUYKOIYJLZGZ-GUYCJALGSA-N 1 2 341.402 3.701 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)ccn1 ZINC001143684317 1137187721 /nfs/dbraw/zinc/18/77/21/1137187721.db2.gz OJBUYKOIYJLZGZ-GUYCJALGSA-N 1 2 341.402 3.701 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC001143715978 1137191526 /nfs/dbraw/zinc/19/15/26/1137191526.db2.gz ZZIUMWSUDCJLJO-UHFFFAOYSA-N 1 2 349.780 3.740 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC001143715978 1137191528 /nfs/dbraw/zinc/19/15/28/1137191528.db2.gz ZZIUMWSUDCJLJO-UHFFFAOYSA-N 1 2 349.780 3.740 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609921 1137194346 /nfs/dbraw/zinc/19/43/46/1137194346.db2.gz IELNCCFBYBNWMD-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609921 1137194348 /nfs/dbraw/zinc/19/43/48/1137194348.db2.gz IELNCCFBYBNWMD-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2cc(N(C)C)cc(Cl)[nH+]2)c1 ZINC001171100502 1137195085 /nfs/dbraw/zinc/19/50/85/1137195085.db2.gz CAKXWNCLHGRLBC-LLVKDONJSA-N 1 2 333.819 3.761 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)cc1Cl ZINC001143745105 1137195473 /nfs/dbraw/zinc/19/54/73/1137195473.db2.gz LMNPJHFMPIHANV-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCC[C@H](CC(=O)OC)C2)cc1Cl ZINC001143745105 1137195474 /nfs/dbraw/zinc/19/54/74/1137195474.db2.gz LMNPJHFMPIHANV-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001143745166 1137195751 /nfs/dbraw/zinc/19/57/51/1137195751.db2.gz OAECDGUYMXLTMH-OAHLLOKOSA-N 1 2 349.780 3.878 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001143745166 1137195752 /nfs/dbraw/zinc/19/57/52/1137195752.db2.gz OAECDGUYMXLTMH-OAHLLOKOSA-N 1 2 349.780 3.878 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2[nH+]cc(OC)c3cc[nH]c32)c1 ZINC001171101435 1137197079 /nfs/dbraw/zinc/19/70/79/1137197079.db2.gz GWFLIQOJKAELDC-NSHDSACASA-N 1 2 325.368 3.531 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(Cl)ccc2O)n1 ZINC000844132075 1137200075 /nfs/dbraw/zinc/20/00/75/1137200075.db2.gz REXUBMBQQLFCQM-UHFFFAOYSA-N 1 2 339.848 3.596 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143804531 1137201038 /nfs/dbraw/zinc/20/10/38/1137201038.db2.gz UWRMAOWKEPSRBB-NSHDSACASA-N 1 2 347.686 3.858 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143804531 1137201039 /nfs/dbraw/zinc/20/10/39/1137201039.db2.gz UWRMAOWKEPSRBB-NSHDSACASA-N 1 2 347.686 3.858 20 0 EHADLO CN(c1ccc(Nc2cnc3c(c2)ncn3C)c[nH+]1)C1CCCCC1 ZINC001212613103 1137206911 /nfs/dbraw/zinc/20/69/11/1137206911.db2.gz CZKNUZCASKBBAV-UHFFFAOYSA-N 1 2 336.443 3.876 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(F)c1F ZINC001143915318 1137214790 /nfs/dbraw/zinc/21/47/90/1137214790.db2.gz DBXJBUQEBWUXBM-HNNXBMFYSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(F)c1F ZINC001143915318 1137214791 /nfs/dbraw/zinc/21/47/91/1137214791.db2.gz DBXJBUQEBWUXBM-HNNXBMFYSA-N 1 2 331.362 3.678 20 0 EHADLO Cc1cc(NC(=O)c2ccc3ncccc3c2)ccc1-n1cc[nH+]c1 ZINC001143934158 1137218315 /nfs/dbraw/zinc/21/83/15/1137218315.db2.gz RYUFZNHECSVXKN-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1ccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000145086495 1137219126 /nfs/dbraw/zinc/21/91/26/1137219126.db2.gz MYGGHKOFTXWNOI-HNNXBMFYSA-N 1 2 334.464 3.732 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)cc3)CC2)c(F)c1 ZINC000015039807 1137219849 /nfs/dbraw/zinc/21/98/49/1137219849.db2.gz MSTOEIDTFQNXIW-UHFFFAOYSA-N 1 2 326.415 3.659 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CCCCC[C@H]3C)c2=S)cc1 ZINC000794633124 1137221908 /nfs/dbraw/zinc/22/19/08/1137221908.db2.gz MBFZWUPFJHCKIU-CQSZACIVSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CCCCC[C@H]3C)c2=S)cc1 ZINC000794633124 1137221910 /nfs/dbraw/zinc/22/19/10/1137221910.db2.gz MBFZWUPFJHCKIU-CQSZACIVSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844482607 1137225594 /nfs/dbraw/zinc/22/55/94/1137225594.db2.gz ZUWXEOUVKOYLNU-AYBZRNKSSA-N 1 2 342.439 3.797 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3sccc3C)CCCC2)no1 ZINC000266067003 1137230889 /nfs/dbraw/zinc/23/08/89/1137230889.db2.gz BWESBJVCBTVHBC-UHFFFAOYSA-N 1 2 348.516 3.840 20 0 EHADLO CCOc1c(F)cc(C[N@H+](C)Cc2cccc3c2OCO3)cc1F ZINC001144036747 1137232595 /nfs/dbraw/zinc/23/25/95/1137232595.db2.gz RUMHZZMZKYFZDW-UHFFFAOYSA-N 1 2 335.350 3.724 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1F ZINC001144036747 1137232597 /nfs/dbraw/zinc/23/25/97/1137232597.db2.gz RUMHZZMZKYFZDW-UHFFFAOYSA-N 1 2 335.350 3.724 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+](CC3CC3)CC3CCC3)n2c(C)c1C ZINC000794710491 1137240165 /nfs/dbraw/zinc/24/01/65/1137240165.db2.gz LXNBXMWFAVPWFM-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+](CC3CC3)CC3CCC3)n2c(C)c1C ZINC000794710491 1137240166 /nfs/dbraw/zinc/24/01/66/1137240166.db2.gz LXNBXMWFAVPWFM-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)nc1 ZINC001144133404 1137242805 /nfs/dbraw/zinc/24/28/05/1137242805.db2.gz AIJCUHLZRHLOKD-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)nc1 ZINC001144133404 1137242807 /nfs/dbraw/zinc/24/28/07/1137242807.db2.gz AIJCUHLZRHLOKD-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168594 1137248653 /nfs/dbraw/zinc/24/86/53/1137248653.db2.gz DQVIZLCAJPJVJJ-IBGZPJMESA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168594 1137248654 /nfs/dbraw/zinc/24/86/54/1137248654.db2.gz DQVIZLCAJPJVJJ-IBGZPJMESA-N 1 2 349.434 3.661 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)C1CC1 ZINC000794804002 1137255589 /nfs/dbraw/zinc/25/55/89/1137255589.db2.gz SALFDWARZCFNJV-PXAZEXFGSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)C1CC1 ZINC000794804002 1137255591 /nfs/dbraw/zinc/25/55/91/1137255591.db2.gz SALFDWARZCFNJV-PXAZEXFGSA-N 1 2 341.373 3.836 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C(F)F)cc1 ZINC000864987043 1137256705 /nfs/dbraw/zinc/25/67/05/1137256705.db2.gz VZVPFFLHOWUIHP-MRXNPFEDSA-N 1 2 349.425 3.984 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1Br ZINC001144231932 1137257774 /nfs/dbraw/zinc/25/77/74/1137257774.db2.gz ANXNSXDCOWEUTK-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1Br ZINC001144231932 1137257776 /nfs/dbraw/zinc/25/77/76/1137257776.db2.gz ANXNSXDCOWEUTK-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn(CC2CCCC2)c1 ZINC000865072700 1137261524 /nfs/dbraw/zinc/26/15/24/1137261524.db2.gz XWZMHFCNHLGPBF-UHFFFAOYSA-N 1 2 335.411 3.716 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865141144 1137264975 /nfs/dbraw/zinc/26/49/75/1137264975.db2.gz PRFZMUVQVLPYTR-WBTMPAOCSA-N 1 2 349.356 3.848 20 0 EHADLO CCc1cccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC001144324027 1137272336 /nfs/dbraw/zinc/27/23/36/1137272336.db2.gz VACSKRUVOQHRDI-UHFFFAOYSA-N 1 2 342.870 3.860 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000865496298 1137288938 /nfs/dbraw/zinc/28/89/38/1137288938.db2.gz RKRHZGDVBRSHMH-UHFFFAOYSA-N 1 2 339.222 3.840 20 0 EHADLO O=c1[nH]ccc2oc(C[NH2+]C3(c4ccc(F)cc4F)CCC3)cc21 ZINC000865514773 1137290695 /nfs/dbraw/zinc/29/06/95/1137290695.db2.gz TVNCCYIMJCISAN-UHFFFAOYSA-N 1 2 330.334 3.981 20 0 EHADLO C[C@H](CC(=O)OCCCc1nc2ccccc2s1)n1cc[nH+]c1 ZINC000845451029 1137292609 /nfs/dbraw/zinc/29/26/09/1137292609.db2.gz VQMJLRLLOTXTKK-CYBMUJFWSA-N 1 2 329.425 3.620 20 0 EHADLO COc1ccc([C@@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000845457768 1137293276 /nfs/dbraw/zinc/29/32/76/1137293276.db2.gz CLGCTYWCHCSZPM-GFCCVEGCSA-N 1 2 348.830 3.728 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1c(F)cncc1F ZINC000865568197 1137295968 /nfs/dbraw/zinc/29/59/68/1137295968.db2.gz ZIQYFLDQBHIJON-MRVPVSSYSA-N 1 2 332.272 3.951 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001144479352 1137298127 /nfs/dbraw/zinc/29/81/27/1137298127.db2.gz UMBNAFHMASFSOF-AWEZNQCLSA-N 1 2 341.835 3.875 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001144479352 1137298128 /nfs/dbraw/zinc/29/81/28/1137298128.db2.gz UMBNAFHMASFSOF-AWEZNQCLSA-N 1 2 341.835 3.875 20 0 EHADLO CSc1ccccc1[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845555062 1137299146 /nfs/dbraw/zinc/29/91/46/1137299146.db2.gz DGKROCIUUSJQLH-ZDUSSCGKSA-N 1 2 330.453 3.788 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144591173 1137313684 /nfs/dbraw/zinc/31/36/84/1137313684.db2.gz TZIFFLRYKQBUPB-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144591173 1137313686 /nfs/dbraw/zinc/31/36/86/1137313686.db2.gz TZIFFLRYKQBUPB-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO Cc1cc(C[NH+]2CC(c3cccnc3)C2)c(F)cc1Br ZINC001144590404 1137313823 /nfs/dbraw/zinc/31/38/23/1137313823.db2.gz GNBCPHSGMGGBOD-UHFFFAOYSA-N 1 2 335.220 3.891 20 0 EHADLO CCn1c(C[NH2+]Cc2cc(OC)c(OC)cc2F)nc2ccccc21 ZINC000845953323 1137319990 /nfs/dbraw/zinc/31/99/90/1137319990.db2.gz CFHNKIHQWLMTAF-UHFFFAOYSA-N 1 2 343.402 3.502 20 0 EHADLO C[C@@H]1[C@H](C)[N@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950030 1137320039 /nfs/dbraw/zinc/32/00/39/1137320039.db2.gz SNMLBMGEHWWBFQ-UONOGXRCSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950030 1137320041 /nfs/dbraw/zinc/32/00/41/1137320041.db2.gz SNMLBMGEHWWBFQ-UONOGXRCSA-N 1 2 345.443 3.658 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCCC[C@H]1F ZINC000866074375 1137327873 /nfs/dbraw/zinc/32/78/73/1137327873.db2.gz PRVSICNQRXFUHY-KGLIPLIRSA-N 1 2 340.468 3.531 20 0 EHADLO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3coc(C4CC4)n3)CC2)n1 ZINC000846055004 1137331076 /nfs/dbraw/zinc/33/10/76/1137331076.db2.gz RMBFSFYXNYAMOL-BLLLJJGKSA-N 1 2 342.443 3.513 20 0 EHADLO Brc1cnc2c(c1)C[N@@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144717004 1137334442 /nfs/dbraw/zinc/33/44/42/1137334442.db2.gz UUQLZDUIWRFSGG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cnc2c(c1)C[N@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144717004 1137334444 /nfs/dbraw/zinc/33/44/44/1137334444.db2.gz UUQLZDUIWRFSGG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO O=C1C[N@@H+](Cc2cccc3cc[nH]c32)CCN1c1ccc(Cl)cc1 ZINC001144718650 1137335096 /nfs/dbraw/zinc/33/50/96/1137335096.db2.gz VMBYIZCICIXTSA-UHFFFAOYSA-N 1 2 339.826 3.670 20 0 EHADLO O=C1C[N@H+](Cc2cccc3cc[nH]c32)CCN1c1ccc(Cl)cc1 ZINC001144718650 1137335098 /nfs/dbraw/zinc/33/50/98/1137335098.db2.gz VMBYIZCICIXTSA-UHFFFAOYSA-N 1 2 339.826 3.670 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001144749963 1137342406 /nfs/dbraw/zinc/34/24/06/1137342406.db2.gz TWZVDOVDCNMOHW-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001144749963 1137342407 /nfs/dbraw/zinc/34/24/07/1137342407.db2.gz TWZVDOVDCNMOHW-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000846300038 1137346033 /nfs/dbraw/zinc/34/60/33/1137346033.db2.gz ZURKHVPOJMXHNP-QGZVFWFLSA-N 1 2 325.456 3.752 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2noc3ccc(F)cc23)cc1OC ZINC000866512338 1137360084 /nfs/dbraw/zinc/36/00/84/1137360084.db2.gz XYJSZXSWFIWTKL-SNVBAGLBSA-N 1 2 348.349 3.974 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC001144927959 1137364484 /nfs/dbraw/zinc/36/44/84/1137364484.db2.gz UHZOWCMZVGRUCJ-ABSDTBQOSA-N 1 2 344.499 3.727 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)nc(C3CC3)c2)c1C ZINC000846846042 1137371590 /nfs/dbraw/zinc/37/15/90/1137371590.db2.gz SRQHXTMCYQJWQH-UHFFFAOYSA-N 1 2 345.830 3.563 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000847022349 1137383291 /nfs/dbraw/zinc/38/32/91/1137383291.db2.gz XVPQXDFTRWKTFJ-STTHAQSSSA-N 1 2 339.439 3.622 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@](C)(c2cccc(F)c2)C1)n1cc[nH+]c1 ZINC001145056581 1137384281 /nfs/dbraw/zinc/38/42/81/1137384281.db2.gz OJRNYZFSRKVYRG-ICSRJNTNSA-N 1 2 343.446 3.800 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)cc(OC)c1C ZINC000867802606 1137386746 /nfs/dbraw/zinc/38/67/46/1137386746.db2.gz VTULUDRPWHLKTB-UHFFFAOYSA-N 1 2 343.471 3.623 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000867844208 1137387838 /nfs/dbraw/zinc/38/78/38/1137387838.db2.gz VAEZDOSILBXAHQ-DOTOQJQBSA-N 1 2 343.446 3.534 20 0 EHADLO COc1c[nH+]c(NCc2nccc(Cl)c2Cl)nc1NC(C)C ZINC001160926006 1137387868 /nfs/dbraw/zinc/38/78/68/1137387868.db2.gz HOJLRKKRDDAADS-UHFFFAOYSA-N 1 2 342.230 3.619 20 0 EHADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292045 1137388422 /nfs/dbraw/zinc/38/84/22/1137388422.db2.gz UUISEPQJUGFVMR-HUUCEWRRSA-N 1 2 338.854 3.606 20 0 EHADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292045 1137388424 /nfs/dbraw/zinc/38/84/24/1137388424.db2.gz UUISEPQJUGFVMR-HUUCEWRRSA-N 1 2 338.854 3.606 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000867936358 1137390303 /nfs/dbraw/zinc/39/03/03/1137390303.db2.gz XJOCMIJFNZWNDN-JXFKEZNVSA-N 1 2 327.472 3.506 20 0 EHADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001147226182 1137402998 /nfs/dbraw/zinc/40/29/98/1137402998.db2.gz HWGNWWKIKFYTTF-SJORKVTESA-N 1 2 329.444 3.619 20 0 EHADLO COc1ccc2cc(N[C@H]3COc4cccc(OC)c4C3)[nH+]cc2c1 ZINC001171310878 1137407820 /nfs/dbraw/zinc/40/78/20/1137407820.db2.gz FWMOGNATYYMESI-OAHLLOKOSA-N 1 2 336.391 3.668 20 0 EHADLO Cc1cc(CNC(=O)C2(c3ccnc4ccccc43)CC2)cc(C)[nH+]1 ZINC000868910715 1137428538 /nfs/dbraw/zinc/42/85/38/1137428538.db2.gz WNCIZHCOHSRFIU-UHFFFAOYSA-N 1 2 331.419 3.595 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001148731213 1137432466 /nfs/dbraw/zinc/43/24/66/1137432466.db2.gz SCCCMCBLYSJWKX-UHFFFAOYSA-N 1 2 345.324 3.909 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1C(F)(F)F ZINC001148744956 1137432963 /nfs/dbraw/zinc/43/29/63/1137432963.db2.gz XNPOVMJMCFFBFC-LBPRGKRZSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000339087211 1137435435 /nfs/dbraw/zinc/43/54/35/1137435435.db2.gz FGGIGSXKGMWJGZ-INIZCTEOSA-N 1 2 335.455 3.945 20 0 EHADLO COCCCn1nccc1C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000282710864 1137440272 /nfs/dbraw/zinc/44/02/72/1137440272.db2.gz BDHVLFSGSIBHQM-DNVCBOLYSA-N 1 2 343.471 3.801 20 0 EHADLO COCCCn1nccc1C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000282710864 1137440274 /nfs/dbraw/zinc/44/02/74/1137440274.db2.gz BDHVLFSGSIBHQM-DNVCBOLYSA-N 1 2 343.471 3.801 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)C1 ZINC000339090260 1137440986 /nfs/dbraw/zinc/44/09/86/1137440986.db2.gz UYXWCKLEHDHYCG-ZUMXRPEOSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)C1 ZINC000339090260 1137440988 /nfs/dbraw/zinc/44/09/88/1137440988.db2.gz UYXWCKLEHDHYCG-ZUMXRPEOSA-N 1 2 333.501 3.750 20 0 EHADLO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000348112812 1137441829 /nfs/dbraw/zinc/44/18/29/1137441829.db2.gz QJTNTSXUXUEBTG-GOSISDBHSA-N 1 2 339.418 3.677 20 0 EHADLO Cc1ccc(-c2ccccc2NC(=O)/C=C\C[NH+]2CCOCC2)s1 ZINC000869834268 1137468490 /nfs/dbraw/zinc/46/84/90/1137468490.db2.gz PKOMMAOKLGABMM-DAXSKMNVSA-N 1 2 342.464 3.550 20 0 EHADLO Brc1cnc(C[NH2+]Cc2cccc3c2NCCC3)s1 ZINC000714947788 1137474595 /nfs/dbraw/zinc/47/45/95/1137474595.db2.gz VVFGHNLCWJGPCD-UHFFFAOYSA-N 1 2 338.274 3.554 20 0 EHADLO CC(C)(CC(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000870442085 1137492808 /nfs/dbraw/zinc/49/28/08/1137492808.db2.gz GDMCVPDBRAOEEA-UHFFFAOYSA-N 1 2 342.414 3.568 20 0 EHADLO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC(F)(F)c1ccccn1)CC2 ZINC001171517951 1137495849 /nfs/dbraw/zinc/49/58/49/1137495849.db2.gz RAODWCJQAJDOBK-NSHDSACASA-N 1 2 342.311 3.738 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)CCc1ccc(C)cc1)[C@@H]2C ZINC001171671915 1137503212 /nfs/dbraw/zinc/50/32/12/1137503212.db2.gz OBUZKIYQFGKTDE-IAGOWNOFSA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)CCc1ccc(C)cc1)[C@@H]2C ZINC001171671915 1137503214 /nfs/dbraw/zinc/50/32/14/1137503214.db2.gz OBUZKIYQFGKTDE-IAGOWNOFSA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)CCc1ccc(C)cc1)[C@H]2C ZINC001171671916 1137503241 /nfs/dbraw/zinc/50/32/41/1137503241.db2.gz OBUZKIYQFGKTDE-IRXDYDNUSA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)[C@H]2C ZINC001171671916 1137503242 /nfs/dbraw/zinc/50/32/42/1137503242.db2.gz OBUZKIYQFGKTDE-IRXDYDNUSA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)CCc1ccc(C)cc1)[C@H]2C ZINC001171671917 1137503335 /nfs/dbraw/zinc/50/33/35/1137503335.db2.gz OBUZKIYQFGKTDE-SJORKVTESA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)CCc1ccc(C)cc1)[C@H]2C ZINC001171671917 1137503336 /nfs/dbraw/zinc/50/33/36/1137503336.db2.gz OBUZKIYQFGKTDE-SJORKVTESA-N 1 2 327.472 3.736 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001171775996 1137509906 /nfs/dbraw/zinc/50/99/06/1137509906.db2.gz LYGHSXDFVYGGIJ-XLIONFOSSA-N 1 2 341.426 3.651 20 0 EHADLO FCCn1cc(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cn1 ZINC001171791391 1137512488 /nfs/dbraw/zinc/51/24/88/1137512488.db2.gz JEVMRUQJBZGEQF-UHFFFAOYSA-N 1 2 325.387 3.671 20 0 EHADLO FCCn1cc(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)cn1 ZINC001171791391 1137512490 /nfs/dbraw/zinc/51/24/90/1137512490.db2.gz JEVMRUQJBZGEQF-UHFFFAOYSA-N 1 2 325.387 3.671 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171810981 1137514153 /nfs/dbraw/zinc/51/41/53/1137514153.db2.gz FGSDRJPLPIIAEV-HNAYVOBHSA-N 1 2 342.433 3.811 20 0 EHADLO COC(=O)C[N@H+](Cc1cnc(-c2ccccc2)o1)C1CCCCC1 ZINC001171853952 1137516057 /nfs/dbraw/zinc/51/60/57/1137516057.db2.gz SEVNKKCVXHUJHU-UHFFFAOYSA-N 1 2 328.412 3.649 20 0 EHADLO COC(=O)C[N@@H+](Cc1cnc(-c2ccccc2)o1)C1CCCCC1 ZINC001171853952 1137516058 /nfs/dbraw/zinc/51/60/58/1137516058.db2.gz SEVNKKCVXHUJHU-UHFFFAOYSA-N 1 2 328.412 3.649 20 0 EHADLO C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000871250284 1137529223 /nfs/dbraw/zinc/52/92/23/1137529223.db2.gz ORWZVYGAAXXAJB-LJQANCHMSA-N 1 2 347.409 3.565 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000871250283 1137529268 /nfs/dbraw/zinc/52/92/68/1137529268.db2.gz ORWZVYGAAXXAJB-IBGZPJMESA-N 1 2 347.409 3.565 20 0 EHADLO FC1(F)CN([C@@H]2CSc3ccccc3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001172208969 1137541340 /nfs/dbraw/zinc/54/13/40/1137541340.db2.gz VIHSTGKWHZEGLL-RDJZCZTQSA-N 1 2 338.467 3.509 20 0 EHADLO C[C@@H](CC(=O)NCC1(c2cccc(Cl)c2)CCC1)n1cc[nH+]c1 ZINC000871573302 1137546665 /nfs/dbraw/zinc/54/66/65/1137546665.db2.gz SRCAUPAYPKJDMV-AWEZNQCLSA-N 1 2 331.847 3.726 20 0 EHADLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl ZINC000871925214 1137563230 /nfs/dbraw/zinc/56/32/30/1137563230.db2.gz XSVVXUPEKQTFKZ-YGRLFVJLSA-N 1 2 339.773 3.502 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000872061006 1137568950 /nfs/dbraw/zinc/56/89/50/1137568950.db2.gz VIUIXQKMUJOGER-AYBZRNKSSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccc(O)c1F ZINC000872069235 1137569474 /nfs/dbraw/zinc/56/94/74/1137569474.db2.gz NKPDDYRRPLBCKC-SNVBAGLBSA-N 1 2 344.308 3.718 20 0 EHADLO [NH3+][C@@H](c1nc(CC2CCCC2)no1)c1cccc(C(F)(F)F)c1 ZINC000872181787 1137575578 /nfs/dbraw/zinc/57/55/78/1137575578.db2.gz BHMYILQXYZGSHB-CQSZACIVSA-N 1 2 325.334 3.869 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000872701318 1137582896 /nfs/dbraw/zinc/58/28/96/1137582896.db2.gz TZRBPAMMMMYCJC-SFHVURJKSA-N 1 2 337.467 3.770 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000872701318 1137582897 /nfs/dbraw/zinc/58/28/97/1137582897.db2.gz TZRBPAMMMMYCJC-SFHVURJKSA-N 1 2 337.467 3.770 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cccc(Cl)c1Br)c1ccco1 ZINC000873106517 1137590250 /nfs/dbraw/zinc/59/02/50/1137590250.db2.gz QGXLWSOLWCEJOE-GFCCVEGCSA-N 1 2 344.636 3.909 20 0 EHADLO O=C(O[C@H]1CCOC2(CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000873576235 1137603154 /nfs/dbraw/zinc/60/31/54/1137603154.db2.gz LRNHVPHNAQKVSZ-SFHVURJKSA-N 1 2 340.423 3.580 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000874256046 1137612203 /nfs/dbraw/zinc/61/22/03/1137612203.db2.gz ALGIQXACNVJZPR-GOSISDBHSA-N 1 2 325.456 3.624 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000874345521 1137613157 /nfs/dbraw/zinc/61/31/57/1137613157.db2.gz AOVPPSVXNCXFAH-YLJYHZDGSA-N 1 2 341.430 3.554 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc2c(n1)CCCC2 ZINC000874670877 1137621065 /nfs/dbraw/zinc/62/10/65/1137621065.db2.gz ALSOLLYDLRAZDL-QGZVFWFLSA-N 1 2 346.434 3.844 20 0 EHADLO C[C@H](CC(=O)N(C)C1(Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000874711220 1137621563 /nfs/dbraw/zinc/62/15/63/1137621563.db2.gz IBERQGZDEREJAP-QGZVFWFLSA-N 1 2 325.456 3.848 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC000875591514 1137635740 /nfs/dbraw/zinc/63/57/40/1137635740.db2.gz NMTIFENBGMVHRM-MRXNPFEDSA-N 1 2 346.862 3.551 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)F ZINC000876081107 1137643665 /nfs/dbraw/zinc/64/36/65/1137643665.db2.gz BLUXEQIDGDQAFR-UHFFFAOYSA-N 1 2 346.397 3.667 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)F ZINC000876081107 1137643666 /nfs/dbraw/zinc/64/36/66/1137643666.db2.gz BLUXEQIDGDQAFR-UHFFFAOYSA-N 1 2 346.397 3.667 20 0 EHADLO CN(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000876213316 1137646275 /nfs/dbraw/zinc/64/62/75/1137646275.db2.gz QSQXLLXEKJGKIG-WOJBJXKFSA-N 1 2 335.451 3.502 20 0 EHADLO CN(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000876213316 1137646276 /nfs/dbraw/zinc/64/62/76/1137646276.db2.gz QSQXLLXEKJGKIG-WOJBJXKFSA-N 1 2 335.451 3.502 20 0 EHADLO CCCn1cc(C[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000876574593 1137656092 /nfs/dbraw/zinc/65/60/92/1137656092.db2.gz XPFOIGWDSBWNHR-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO CCCn1cc(C[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000876574593 1137656093 /nfs/dbraw/zinc/65/60/93/1137656093.db2.gz XPFOIGWDSBWNHR-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876656012 1137658418 /nfs/dbraw/zinc/65/84/18/1137658418.db2.gz BVBAMSMCEKCNPG-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876656012 1137658419 /nfs/dbraw/zinc/65/84/19/1137658419.db2.gz BVBAMSMCEKCNPG-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO COC(=O)N(C)Cc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000876827114 1137663013 /nfs/dbraw/zinc/66/30/13/1137663013.db2.gz JYIRDYQIBDWGST-UHFFFAOYSA-N 1 2 343.427 3.517 20 0 EHADLO CCO[P@@](C)(=O)CC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000877116249 1137670522 /nfs/dbraw/zinc/67/05/22/1137670522.db2.gz TUMYWWBDUSVZEC-RCDICMHDSA-N 1 2 325.393 3.817 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2ccccc2Cl)CCO1 ZINC000126414313 1137673130 /nfs/dbraw/zinc/67/31/30/1137673130.db2.gz BMUOSBLDXUCXNR-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2ccccc2Cl)CCO1 ZINC000126414313 1137673131 /nfs/dbraw/zinc/67/31/31/1137673131.db2.gz BMUOSBLDXUCXNR-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO Clc1csc(C[NH+]2CCC3(CC2)OCCc2ccccc23)n1 ZINC000877576081 1137681818 /nfs/dbraw/zinc/68/18/18/1137681818.db2.gz FBDRCFVIZZHRQV-UHFFFAOYSA-N 1 2 334.872 3.861 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000877650184 1137684253 /nfs/dbraw/zinc/68/42/53/1137684253.db2.gz OJXWEVWYAMCHOP-IYBDPMFKSA-N 1 2 341.480 3.896 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000877650184 1137684254 /nfs/dbraw/zinc/68/42/54/1137684254.db2.gz OJXWEVWYAMCHOP-IYBDPMFKSA-N 1 2 341.480 3.896 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc([C@@H](O)C(F)(F)F)cc2)c1C ZINC000877667316 1137685070 /nfs/dbraw/zinc/68/50/70/1137685070.db2.gz MUGFEXBOHUYTPD-MRXNPFEDSA-N 1 2 340.345 3.915 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000877699271 1137686279 /nfs/dbraw/zinc/68/62/79/1137686279.db2.gz DRMDGKRTGZUCNC-UHFFFAOYSA-N 1 2 331.265 3.514 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)CC1 ZINC000877770833 1137689223 /nfs/dbraw/zinc/68/92/23/1137689223.db2.gz YXZFJFTXJNMIPU-AWEZNQCLSA-N 1 2 333.863 3.852 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)CC1 ZINC000877770833 1137689224 /nfs/dbraw/zinc/68/92/24/1137689224.db2.gz YXZFJFTXJNMIPU-AWEZNQCLSA-N 1 2 333.863 3.852 20 0 EHADLO Fc1ccc2ccc(C[N@@H+]3CCO[C@@H](C(F)(F)F)CC3)nc2c1F ZINC000877822585 1137692023 /nfs/dbraw/zinc/69/20/23/1137692023.db2.gz SGQVGESYQVCSDG-CYBMUJFWSA-N 1 2 346.299 3.666 20 0 EHADLO Fc1ccc2ccc(C[N@H+]3CCO[C@@H](C(F)(F)F)CC3)nc2c1F ZINC000877822585 1137692024 /nfs/dbraw/zinc/69/20/24/1137692024.db2.gz SGQVGESYQVCSDG-CYBMUJFWSA-N 1 2 346.299 3.666 20 0 EHADLO CC1(C)[NH2+][C@@]2(CCC[C@H](C(F)(F)F)C2)N(CC2CCCC2)C1=O ZINC000877857763 1137693730 /nfs/dbraw/zinc/69/37/30/1137693730.db2.gz ZMSJKQUXFUKCTN-BBRMVZONSA-N 1 2 332.410 3.836 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000877892566 1137694415 /nfs/dbraw/zinc/69/44/15/1137694415.db2.gz ANVZZVYOCASERT-GFCCVEGCSA-N 1 2 330.432 3.876 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000877892566 1137694416 /nfs/dbraw/zinc/69/44/16/1137694416.db2.gz ANVZZVYOCASERT-GFCCVEGCSA-N 1 2 330.432 3.876 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000878138332 1137704146 /nfs/dbraw/zinc/70/41/46/1137704146.db2.gz FDONEGCJNYAWCS-SUMWQHHRSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000878138332 1137704147 /nfs/dbraw/zinc/70/41/47/1137704147.db2.gz FDONEGCJNYAWCS-SUMWQHHRSA-N 1 2 327.403 3.551 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000878157050 1137705058 /nfs/dbraw/zinc/70/50/58/1137705058.db2.gz ATXXELANZLOHCW-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000878157050 1137705059 /nfs/dbraw/zinc/70/50/59/1137705059.db2.gz ATXXELANZLOHCW-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000878178644 1137705891 /nfs/dbraw/zinc/70/58/91/1137705891.db2.gz IMJHRDDNGSXDPH-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000878178644 1137705892 /nfs/dbraw/zinc/70/58/92/1137705892.db2.gz IMJHRDDNGSXDPH-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO c1coc([C@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181101 1137706124 /nfs/dbraw/zinc/70/61/24/1137706124.db2.gz LCMAKAVIUCXKQF-CMKODMSKSA-N 1 2 327.424 3.963 20 0 EHADLO c1coc([C@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181101 1137706125 /nfs/dbraw/zinc/70/61/25/1137706125.db2.gz LCMAKAVIUCXKQF-CMKODMSKSA-N 1 2 327.424 3.963 20 0 EHADLO Oc1ccccc1-c1nnc(C[NH2+]C2(c3ccc(F)cc3)CCC2)o1 ZINC000878231204 1137707995 /nfs/dbraw/zinc/70/79/95/1137707995.db2.gz MHRGRYQMRLZQRP-UHFFFAOYSA-N 1 2 339.370 3.750 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878306124 1137710589 /nfs/dbraw/zinc/71/05/89/1137710589.db2.gz SVIUYASSZHPZHV-INIZCTEOSA-N 1 2 340.467 3.502 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878306124 1137710590 /nfs/dbraw/zinc/71/05/90/1137710590.db2.gz SVIUYASSZHPZHV-INIZCTEOSA-N 1 2 340.467 3.502 20 0 EHADLO Clc1cncc(Cl)c1CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000878320427 1137710750 /nfs/dbraw/zinc/71/07/50/1137710750.db2.gz GEENHHOJZLMNPK-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO CC1(C)CO[C@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000878345350 1137711721 /nfs/dbraw/zinc/71/17/21/1137711721.db2.gz MJYNDWUYTKULKB-CQSZACIVSA-N 1 2 331.391 3.545 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc3c(o2)CCCC3)cc1OC ZINC000878351215 1137711968 /nfs/dbraw/zinc/71/19/68/1137711968.db2.gz PPXPGEGSECWKPD-ZDUSSCGKSA-N 1 2 330.428 3.730 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncccc2Br)C1 ZINC000878428881 1137715690 /nfs/dbraw/zinc/71/56/90/1137715690.db2.gz TZWVUVGUBIPHKT-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncccc2Br)C1 ZINC000878428881 1137715691 /nfs/dbraw/zinc/71/56/91/1137715691.db2.gz TZWVUVGUBIPHKT-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878509610 1137718364 /nfs/dbraw/zinc/71/83/64/1137718364.db2.gz RXKAJMMDWPJDAG-VFZGTOFNSA-N 1 2 342.226 3.701 20 0 EHADLO OC[C@]1(c2ccccc2)CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000826052042 1137721380 /nfs/dbraw/zinc/72/13/80/1137721380.db2.gz LFERHXIJVXULSO-NRFANRHFSA-N 1 2 336.410 3.904 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000878636447 1137723317 /nfs/dbraw/zinc/72/33/17/1137723317.db2.gz IUCLFAKNNORGAB-MNOVXSKESA-N 1 2 325.325 3.701 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000878636447 1137723318 /nfs/dbraw/zinc/72/33/18/1137723318.db2.gz IUCLFAKNNORGAB-MNOVXSKESA-N 1 2 325.325 3.701 20 0 EHADLO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878639512 1137723357 /nfs/dbraw/zinc/72/33/57/1137723357.db2.gz MFFVICAEFCNCLY-CQSZACIVSA-N 1 2 338.879 3.866 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878715837 1137726028 /nfs/dbraw/zinc/72/60/28/1137726028.db2.gz DMRPQPDIQVLTJK-CQSZACIVSA-N 1 2 341.352 3.634 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878715837 1137726029 /nfs/dbraw/zinc/72/60/29/1137726029.db2.gz DMRPQPDIQVLTJK-CQSZACIVSA-N 1 2 341.352 3.634 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3cccnc3)C2)sc1Br ZINC000878761754 1137727427 /nfs/dbraw/zinc/72/74/27/1137727427.db2.gz YTEZJGPQTJDHFT-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3cccnc3)C2)sc1Br ZINC000878761754 1137727428 /nfs/dbraw/zinc/72/74/28/1137727428.db2.gz YTEZJGPQTJDHFT-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CCO1 ZINC000878997187 1137734687 /nfs/dbraw/zinc/73/46/87/1137734687.db2.gz CCUFUVBQVIKNJR-ARFHVFGLSA-N 1 2 329.362 3.560 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CCO1 ZINC000878997187 1137734688 /nfs/dbraw/zinc/73/46/88/1137734688.db2.gz CCUFUVBQVIKNJR-ARFHVFGLSA-N 1 2 329.362 3.560 20 0 EHADLO Brc1cccnc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000879035314 1137735931 /nfs/dbraw/zinc/73/59/31/1137735931.db2.gz RVZXTAJPZDLHKB-INIZCTEOSA-N 1 2 332.245 3.870 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001137144174 1137744736 /nfs/dbraw/zinc/74/47/36/1137744736.db2.gz MYPNUYOULQKJQJ-FQEVSTJZSA-N 1 2 346.515 3.943 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001137144174 1137744737 /nfs/dbraw/zinc/74/47/37/1137744737.db2.gz MYPNUYOULQKJQJ-FQEVSTJZSA-N 1 2 346.515 3.943 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000879453974 1137748185 /nfs/dbraw/zinc/74/81/85/1137748185.db2.gz XIVQNPRHMUHPRO-INIZCTEOSA-N 1 2 343.324 3.883 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000879453974 1137748186 /nfs/dbraw/zinc/74/81/86/1137748186.db2.gz XIVQNPRHMUHPRO-INIZCTEOSA-N 1 2 343.324 3.883 20 0 EHADLO Cc1cnc(Cl)c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000879497008 1137749282 /nfs/dbraw/zinc/74/92/82/1137749282.db2.gz WJUXXSBFFBSBIN-CYBMUJFWSA-N 1 2 349.887 3.624 20 0 EHADLO CC(C)c1scnc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000879597833 1137752030 /nfs/dbraw/zinc/75/20/30/1137752030.db2.gz WFYRZTYTSPTJDH-AWEZNQCLSA-N 1 2 330.457 3.575 20 0 EHADLO CC(C)c1scnc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000879597833 1137752031 /nfs/dbraw/zinc/75/20/31/1137752031.db2.gz WFYRZTYTSPTJDH-AWEZNQCLSA-N 1 2 330.457 3.575 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(C(C)C)s3)C2)cc1F ZINC000626127552 1137756383 /nfs/dbraw/zinc/75/63/83/1137756383.db2.gz QGPLDFHMIZLXEX-CYBMUJFWSA-N 1 2 335.448 3.799 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(C(C)C)s3)C2)cc1F ZINC000626127552 1137756384 /nfs/dbraw/zinc/75/63/84/1137756384.db2.gz QGPLDFHMIZLXEX-CYBMUJFWSA-N 1 2 335.448 3.799 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC[C@H]3CCSC3)ccc21 ZINC000879718366 1137756471 /nfs/dbraw/zinc/75/64/71/1137756471.db2.gz GETOPIPZDHDUGS-ZDUSSCGKSA-N 1 2 344.484 3.566 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000879750197 1137757878 /nfs/dbraw/zinc/75/78/78/1137757878.db2.gz RKARJPDZGFVROU-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000879750197 1137757879 /nfs/dbraw/zinc/75/78/79/1137757879.db2.gz RKARJPDZGFVROU-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000879750820 1137757944 /nfs/dbraw/zinc/75/79/44/1137757944.db2.gz WSGWKVVXLBOTRE-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000879750820 1137757945 /nfs/dbraw/zinc/75/79/45/1137757945.db2.gz WSGWKVVXLBOTRE-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccc(-c2cc(C[N@@H+]3CCO[C@@H](C(F)(F)F)CC3)on2)cc1 ZINC000880046123 1137766645 /nfs/dbraw/zinc/76/66/45/1137766645.db2.gz RXRRRVDVPHXCIB-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO Cc1ccc(-c2cc(C[N@H+]3CCO[C@@H](C(F)(F)F)CC3)on2)cc1 ZINC000880046123 1137766646 /nfs/dbraw/zinc/76/66/46/1137766646.db2.gz RXRRRVDVPHXCIB-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062114 1137766996 /nfs/dbraw/zinc/76/69/96/1137766996.db2.gz HXSGJKAKNHPELA-SUNKGSAMSA-N 1 2 328.334 3.931 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062114 1137766997 /nfs/dbraw/zinc/76/69/97/1137766997.db2.gz HXSGJKAKNHPELA-SUNKGSAMSA-N 1 2 328.334 3.931 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000880089990 1137767886 /nfs/dbraw/zinc/76/78/86/1137767886.db2.gz FJQKACGGPMBMMA-LBPRGKRZSA-N 1 2 349.862 3.518 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000880089990 1137767887 /nfs/dbraw/zinc/76/78/87/1137767887.db2.gz FJQKACGGPMBMMA-LBPRGKRZSA-N 1 2 349.862 3.518 20 0 EHADLO FC1CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000880241862 1137771818 /nfs/dbraw/zinc/77/18/18/1137771818.db2.gz KGGFFVIXZFUUIA-UHFFFAOYSA-N 1 2 330.190 3.977 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CF)C2)cs1)c1ccc(C)cc1 ZINC000880296622 1137773885 /nfs/dbraw/zinc/77/38/85/1137773885.db2.gz FJPDAOZMLDOCDJ-HNNXBMFYSA-N 1 2 347.459 3.928 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CF)C2)cs1)c1ccc(C)cc1 ZINC000880296622 1137773886 /nfs/dbraw/zinc/77/38/86/1137773886.db2.gz FJPDAOZMLDOCDJ-HNNXBMFYSA-N 1 2 347.459 3.928 20 0 EHADLO COC(=O)[C@@H]([NH2+]Cc1ccc(Cl)c2ccccc12)C1CCOCC1 ZINC000880340789 1137775676 /nfs/dbraw/zinc/77/56/76/1137775676.db2.gz LEZWGDRJOMTHMH-SFHVURJKSA-N 1 2 347.842 3.551 20 0 EHADLO CCCCn1nnnc1C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880384006 1137777356 /nfs/dbraw/zinc/77/73/56/1137777356.db2.gz OOFYATPMFZZGQX-UHFFFAOYSA-N 1 2 341.381 3.517 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)cs1 ZINC000880555098 1137781230 /nfs/dbraw/zinc/78/12/30/1137781230.db2.gz UWEMHDPKFOBBON-PBHICJAKSA-N 1 2 343.496 3.835 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cs1 ZINC000880555098 1137781231 /nfs/dbraw/zinc/78/12/31/1137781231.db2.gz UWEMHDPKFOBBON-PBHICJAKSA-N 1 2 343.496 3.835 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1C(C)(F)F ZINC000880719406 1137786415 /nfs/dbraw/zinc/78/64/15/1137786415.db2.gz HKYPIOFEHJBILP-UHFFFAOYSA-N 1 2 340.349 3.688 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)cc(Cl)c1F ZINC000880894902 1137793263 /nfs/dbraw/zinc/79/32/63/1137793263.db2.gz RIZBAGQNLINDNK-UHFFFAOYSA-N 1 2 345.205 3.931 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162703 1137799222 /nfs/dbraw/zinc/79/92/22/1137799222.db2.gz CIQNEEIMNXYAAC-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162703 1137799223 /nfs/dbraw/zinc/79/92/23/1137799223.db2.gz CIQNEEIMNXYAAC-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881170411 1137802450 /nfs/dbraw/zinc/80/24/50/1137802450.db2.gz PYWFFPARXGMHSJ-GWCFXTLKSA-N 1 2 344.312 3.666 20 0 EHADLO C[C@H](Cc1ccsc1)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137167551 1137811876 /nfs/dbraw/zinc/81/18/76/1137811876.db2.gz MVIXPRKFSLDAKV-OAHLLOKOSA-N 1 2 339.464 3.566 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000882034766 1137819406 /nfs/dbraw/zinc/81/94/06/1137819406.db2.gz YUEOVQIOZNKJGZ-HXUWFJFHSA-N 1 2 325.456 3.677 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904010 1137820055 /nfs/dbraw/zinc/82/00/55/1137820055.db2.gz GUSRXAYAGVIGQP-WJFTUGDTSA-N 1 2 337.467 3.756 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(CNc2cc(CO)cc[nH+]2)c1 ZINC000882577498 1137829838 /nfs/dbraw/zinc/82/98/38/1137829838.db2.gz IKWSEASCQMWMAU-UHFFFAOYSA-N 1 2 329.400 3.533 20 0 EHADLO CCSc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000883245183 1137850284 /nfs/dbraw/zinc/85/02/84/1137850284.db2.gz GNNFPBPZQJOKFW-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000883257426 1137850941 /nfs/dbraw/zinc/85/09/41/1137850941.db2.gz BAEROXPEDARQEC-UHFFFAOYSA-N 1 2 339.361 3.621 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cnc2c(c1)c(C)nn2C ZINC000883378277 1137858085 /nfs/dbraw/zinc/85/80/85/1137858085.db2.gz FXTQJCRALGNZEP-UHFFFAOYSA-N 1 2 327.457 3.537 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000883463299 1137861180 /nfs/dbraw/zinc/86/11/80/1137861180.db2.gz MSCKSDPODZVXKC-OAHLLOKOSA-N 1 2 326.425 3.833 20 0 EHADLO Cc1ccc2c(Nc3ncnc4c3ncn4[C@@H]3CCCO3)cccc2[nH+]1 ZINC001212795869 1137865958 /nfs/dbraw/zinc/86/59/58/1137865958.db2.gz GQMVNTJEMQNKQY-INIZCTEOSA-N 1 2 346.394 3.736 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1ccc(F)cc1F ZINC000282837730 1137871654 /nfs/dbraw/zinc/87/16/54/1137871654.db2.gz RICAVQZDYWIYNE-UHFFFAOYSA-N 1 2 342.393 3.794 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1ccc(F)cc1F ZINC000282837730 1137871655 /nfs/dbraw/zinc/87/16/55/1137871655.db2.gz RICAVQZDYWIYNE-UHFFFAOYSA-N 1 2 342.393 3.794 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)o2)c(C)o1 ZINC000348249144 1137877717 /nfs/dbraw/zinc/87/77/17/1137877717.db2.gz QONJCONBURSBMB-CABZTGNLSA-N 1 2 329.322 3.719 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)o2)c(C)o1 ZINC000348249144 1137877718 /nfs/dbraw/zinc/87/77/18/1137877718.db2.gz QONJCONBURSBMB-CABZTGNLSA-N 1 2 329.322 3.719 20 0 EHADLO C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004790 1137879923 /nfs/dbraw/zinc/87/99/23/1137879923.db2.gz MDBKIKMTELDQHH-LISAXSMJSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004790 1137879924 /nfs/dbraw/zinc/87/99/24/1137879924.db2.gz MDBKIKMTELDQHH-LISAXSMJSA-N 1 2 345.487 3.606 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106878096 1137884801 /nfs/dbraw/zinc/88/48/01/1137884801.db2.gz BYXXXNVPSVCYOC-ZDUSSCGKSA-N 1 2 347.484 3.790 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106878096 1137884802 /nfs/dbraw/zinc/88/48/02/1137884802.db2.gz BYXXXNVPSVCYOC-ZDUSSCGKSA-N 1 2 347.484 3.790 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1c(F)ccc(O)c1F ZINC000348260065 1137886328 /nfs/dbraw/zinc/88/63/28/1137886328.db2.gz GBDGBDXCFTWFRB-UHFFFAOYSA-N 1 2 349.724 3.762 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007661720 1137892315 /nfs/dbraw/zinc/89/23/15/1137892315.db2.gz YVEWDXHCRQSDOE-ZDUSSCGKSA-N 1 2 332.469 3.989 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007661720 1137892316 /nfs/dbraw/zinc/89/23/16/1137892316.db2.gz YVEWDXHCRQSDOE-ZDUSSCGKSA-N 1 2 332.469 3.989 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000800196571 1137902184 /nfs/dbraw/zinc/90/21/84/1137902184.db2.gz JKNHEAHNWHKMQZ-CQSZACIVSA-N 1 2 339.222 3.735 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000111540743 1137905022 /nfs/dbraw/zinc/90/50/22/1137905022.db2.gz MIEBNKAPCYWNBG-AWEZNQCLSA-N 1 2 347.509 3.640 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000111540743 1137905023 /nfs/dbraw/zinc/90/50/23/1137905023.db2.gz MIEBNKAPCYWNBG-AWEZNQCLSA-N 1 2 347.509 3.640 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)ccc1OCC(C)C ZINC000112525107 1137908278 /nfs/dbraw/zinc/90/82/78/1137908278.db2.gz ZJRODGPTTNPYJN-QWHCGFSZSA-N 1 2 333.432 3.833 20 0 EHADLO Cc1ccc2c(Nc3cc(F)c(S(C)(=O)=O)cc3F)cccc2[nH+]1 ZINC001212798829 1137913450 /nfs/dbraw/zinc/91/34/50/1137913450.db2.gz VCUPSUUTXKCCEB-UHFFFAOYSA-N 1 2 348.374 3.969 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCc2ccccc2C1 ZINC000114417727 1137917274 /nfs/dbraw/zinc/91/72/74/1137917274.db2.gz ASFLNGJDKWCSES-NRFANRHFSA-N 1 2 345.446 3.561 20 0 EHADLO CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000331690579 1137917286 /nfs/dbraw/zinc/91/72/86/1137917286.db2.gz WTTQZAZQAZLACS-XJKSGUPXSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331841898 1137922576 /nfs/dbraw/zinc/92/25/76/1137922576.db2.gz BRRPCCDQSGYXBM-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO CSc1cccc(C)c1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331893040 1137924691 /nfs/dbraw/zinc/92/46/91/1137924691.db2.gz GTYFZMMISNECPS-UHFFFAOYSA-N 1 2 330.457 3.571 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)cs1 ZINC000331931226 1137925951 /nfs/dbraw/zinc/92/59/51/1137925951.db2.gz NXIAFECQYOZXQX-ZDUSSCGKSA-N 1 2 334.489 3.652 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cs1 ZINC000331931226 1137925952 /nfs/dbraw/zinc/92/59/52/1137925952.db2.gz NXIAFECQYOZXQX-ZDUSSCGKSA-N 1 2 334.489 3.652 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000332051566 1137930086 /nfs/dbraw/zinc/93/00/86/1137930086.db2.gz UEXIOPFECQLEDQ-CYBMUJFWSA-N 1 2 341.411 3.661 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000118840608 1137935767 /nfs/dbraw/zinc/93/57/67/1137935767.db2.gz KBSIJPCYQJUUSD-YOEHRIQHSA-N 1 2 336.439 3.674 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)n1 ZINC000118849004 1137935877 /nfs/dbraw/zinc/93/58/77/1137935877.db2.gz DDFWLHPVWKUTPI-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000332395961 1137942691 /nfs/dbraw/zinc/94/26/91/1137942691.db2.gz LMGPAAAHOHLZSI-UHFFFAOYSA-N 1 2 341.459 3.666 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000332395961 1137942692 /nfs/dbraw/zinc/94/26/92/1137942692.db2.gz LMGPAAAHOHLZSI-UHFFFAOYSA-N 1 2 341.459 3.666 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccccn1 ZINC000119860789 1137944850 /nfs/dbraw/zinc/94/48/50/1137944850.db2.gz DPTXKQUECVCMMO-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccccn1 ZINC000119860789 1137944851 /nfs/dbraw/zinc/94/48/51/1137944851.db2.gz DPTXKQUECVCMMO-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO CCCCc1nc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cs1 ZINC000120534382 1137950585 /nfs/dbraw/zinc/95/05/85/1137950585.db2.gz NRZJHQJYAAAAJE-INIZCTEOSA-N 1 2 344.528 3.760 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039087 1137953512 /nfs/dbraw/zinc/95/35/12/1137953512.db2.gz CDAJSIVWFDDMMT-WCQYABFASA-N 1 2 335.473 3.576 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039087 1137953513 /nfs/dbraw/zinc/95/35/13/1137953513.db2.gz CDAJSIVWFDDMMT-WCQYABFASA-N 1 2 335.473 3.576 20 0 EHADLO Fc1cc(F)c(CNc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000120946754 1137953834 /nfs/dbraw/zinc/95/38/34/1137953834.db2.gz VAGVYVQUKQXYPH-UHFFFAOYSA-N 1 2 336.357 3.548 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000120969973 1137954113 /nfs/dbraw/zinc/95/41/13/1137954113.db2.gz HXASPROPLMKCPZ-IBGZPJMESA-N 1 2 345.443 3.526 20 0 EHADLO CC[C@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333202576 1137958095 /nfs/dbraw/zinc/95/80/95/1137958095.db2.gz ZTQAJFFRGKACFU-MAUKXSAKSA-N 1 2 344.503 3.687 20 0 EHADLO C[N@H+](CCOCC1CC1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121469506 1137958140 /nfs/dbraw/zinc/95/81/40/1137958140.db2.gz CSMJDNXPIWSKJV-UHFFFAOYSA-N 1 2 347.484 3.535 20 0 EHADLO C[N@@H+](CCOCC1CC1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121469506 1137958141 /nfs/dbraw/zinc/95/81/41/1137958141.db2.gz CSMJDNXPIWSKJV-UHFFFAOYSA-N 1 2 347.484 3.535 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(=S)o1 ZINC000884482735 1137960924 /nfs/dbraw/zinc/96/09/24/1137960924.db2.gz GZPYKGBBKNRACP-ZBFHGGJFSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(=S)o1 ZINC000884482735 1137960925 /nfs/dbraw/zinc/96/09/25/1137960925.db2.gz GZPYKGBBKNRACP-ZBFHGGJFSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1csc(C[C@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)n1 ZINC000884715367 1137970978 /nfs/dbraw/zinc/97/09/78/1137970978.db2.gz REWCNYRLWNDAOY-CQSZACIVSA-N 1 2 328.485 3.886 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000885233254 1137990191 /nfs/dbraw/zinc/99/01/91/1137990191.db2.gz ABAWAKNPBMDOEB-KRWDZBQOSA-N 1 2 346.434 3.676 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248332 1138023104 /nfs/dbraw/zinc/02/31/04/1138023104.db2.gz MXMVFKHNROSTSS-SJLPKXTDSA-N 1 2 328.460 3.845 20 0 EHADLO C(C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)OC1CCCCC1 ZINC000886205901 1138059205 /nfs/dbraw/zinc/05/92/05/1138059205.db2.gz CFBJBTQMFRMHRM-DLBZAZTESA-N 1 2 349.475 3.797 20 0 EHADLO C(C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)OC1CCCCC1 ZINC000886205901 1138059207 /nfs/dbraw/zinc/05/92/07/1138059207.db2.gz CFBJBTQMFRMHRM-DLBZAZTESA-N 1 2 349.475 3.797 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000066565761 1138076036 /nfs/dbraw/zinc/07/60/36/1138076036.db2.gz HBLQLKUGKLPPQR-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000066565761 1138076038 /nfs/dbraw/zinc/07/60/38/1138076038.db2.gz HBLQLKUGKLPPQR-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000886438636 1138077934 /nfs/dbraw/zinc/07/79/34/1138077934.db2.gz DTTIOZKHYIEZBR-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000886438636 1138077936 /nfs/dbraw/zinc/07/79/36/1138077936.db2.gz DTTIOZKHYIEZBR-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO COC(=O)[C@H]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000886583823 1138099061 /nfs/dbraw/zinc/09/90/61/1138099061.db2.gz DACIBWLQHGLUBJ-DOTOQJQBSA-N 1 2 339.439 3.640 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)n1 ZINC000886619199 1138102760 /nfs/dbraw/zinc/10/27/60/1138102760.db2.gz WKEXVRNFDOAWTC-HNNXBMFYSA-N 1 2 332.810 3.861 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(Cl)nc1 ZINC000072555864 1138105672 /nfs/dbraw/zinc/10/56/72/1138105672.db2.gz MDKKASUYQUZVNK-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(Cl)nc1 ZINC000072555864 1138105674 /nfs/dbraw/zinc/10/56/74/1138105674.db2.gz MDKKASUYQUZVNK-UHFFFAOYSA-N 1 2 331.847 3.894 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000886712486 1138122956 /nfs/dbraw/zinc/12/29/56/1138122956.db2.gz FICQMRXHODOQOD-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886721664 1138125487 /nfs/dbraw/zinc/12/54/87/1138125487.db2.gz GMKNSJLTCOFTJK-UHFFFAOYSA-N 1 2 348.468 3.875 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)c1 ZINC000076342874 1138130908 /nfs/dbraw/zinc/13/09/08/1138130908.db2.gz AVBHDWKRGJNZLK-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000076342874 1138130909 /nfs/dbraw/zinc/13/09/09/1138130909.db2.gz AVBHDWKRGJNZLK-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CSCc1nnc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)[nH]1 ZINC000886753850 1138131693 /nfs/dbraw/zinc/13/16/93/1138131693.db2.gz XPSMEIPIGSEYEK-GHMZBOCLSA-N 1 2 347.513 3.559 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccco1 ZINC000076868226 1138135530 /nfs/dbraw/zinc/13/55/30/1138135530.db2.gz YIQGRBVTHIETSY-SFHVURJKSA-N 1 2 340.423 3.625 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000138948797 1138139987 /nfs/dbraw/zinc/13/99/87/1138139987.db2.gz AUZIKQBWQFQHKH-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000138948797 1138139988 /nfs/dbraw/zinc/13/99/88/1138139988.db2.gz AUZIKQBWQFQHKH-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccs1 ZINC000078078307 1138145879 /nfs/dbraw/zinc/14/58/79/1138145879.db2.gz IDKBGMXXHCSKTG-AWEZNQCLSA-N 1 2 329.469 3.553 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000080346224 1138162137 /nfs/dbraw/zinc/16/21/37/1138162137.db2.gz PZKMFTYPVDQTCM-UHFFFAOYSA-N 1 2 336.457 3.502 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000089466334 1138199194 /nfs/dbraw/zinc/19/91/94/1138199194.db2.gz HWQDJKPRILOPEI-ACJLOTCBSA-N 1 2 340.427 3.509 20 0 EHADLO C[C@@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2n1C ZINC000091288382 1138218245 /nfs/dbraw/zinc/21/82/45/1138218245.db2.gz TYBPHRONCGMPCP-AUUYWEPGSA-N 1 2 340.446 3.666 20 0 EHADLO Clc1ccncc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001137238164 1138224172 /nfs/dbraw/zinc/22/41/72/1138224172.db2.gz QIFSVVZOSUZPTN-BETUJISGSA-N 1 2 336.826 3.765 20 0 EHADLO Clc1ccncc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001137238164 1138224175 /nfs/dbraw/zinc/22/41/75/1138224175.db2.gz QIFSVVZOSUZPTN-BETUJISGSA-N 1 2 336.826 3.765 20 0 EHADLO CCOCC[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000093313164 1138235566 /nfs/dbraw/zinc/23/55/66/1138235566.db2.gz MQYIRTPHGMONND-UHFFFAOYSA-N 1 2 339.650 3.554 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000093313164 1138235568 /nfs/dbraw/zinc/23/55/68/1138235568.db2.gz MQYIRTPHGMONND-UHFFFAOYSA-N 1 2 339.650 3.554 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000093302941 1138235647 /nfs/dbraw/zinc/23/56/47/1138235647.db2.gz MTFQEFYXNSFAQK-GJZGRUSLSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000093302941 1138235648 /nfs/dbraw/zinc/23/56/48/1138235648.db2.gz MTFQEFYXNSFAQK-GJZGRUSLSA-N 1 2 349.500 3.657 20 0 EHADLO COc1ccccc1[C@@H](CN[C@@H](C)c1nccs1)[NH+]1CCCC1 ZINC000093369026 1138237117 /nfs/dbraw/zinc/23/71/17/1138237117.db2.gz VHGAWCPTOJETHD-GOEBONIOSA-N 1 2 331.485 3.639 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000121785275 1138250121 /nfs/dbraw/zinc/25/01/21/1138250121.db2.gz MTKVAHMCKGDJLT-CQSZACIVSA-N 1 2 329.444 3.866 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000122572789 1138259755 /nfs/dbraw/zinc/25/97/55/1138259755.db2.gz BQCLSDGHKMJFPN-KAMYIIQDSA-N 1 2 329.831 3.804 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123458750 1138270341 /nfs/dbraw/zinc/27/03/41/1138270341.db2.gz VNGUHBNXWYJVEO-GUYCJALGSA-N 1 2 337.423 3.969 20 0 EHADLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1nccs1 ZINC000123526478 1138271043 /nfs/dbraw/zinc/27/10/43/1138271043.db2.gz HWEZAZWAPDGTNP-UHFFFAOYSA-N 1 2 340.496 3.975 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)Cc1cccc(F)c1 ZINC000125603095 1138312432 /nfs/dbraw/zinc/31/24/32/1138312432.db2.gz DEDNSWDIGYXAPV-TXPKVOOTSA-N 1 2 343.446 3.701 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125774071 1138316221 /nfs/dbraw/zinc/31/62/21/1138316221.db2.gz QVHHSBIMDHEHTE-NHYWBVRUSA-N 1 2 338.238 3.913 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000125786112 1138316230 /nfs/dbraw/zinc/31/62/30/1138316230.db2.gz MTINGJMPVFPHCQ-PBHICJAKSA-N 1 2 329.469 3.637 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000263717524 1138348577 /nfs/dbraw/zinc/34/85/77/1138348577.db2.gz OBYQTSOUOOMFDO-WMLDXEAASA-N 1 2 329.444 3.719 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000263717524 1138348582 /nfs/dbraw/zinc/34/85/82/1138348582.db2.gz OBYQTSOUOOMFDO-WMLDXEAASA-N 1 2 329.444 3.719 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127402715 1138356223 /nfs/dbraw/zinc/35/62/23/1138356223.db2.gz FNOFPYCSGMORRN-BBRMVZONSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127399717 1138356432 /nfs/dbraw/zinc/35/64/32/1138356432.db2.gz PGVNMLRLUUBLLJ-GDBMZVCRSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127399717 1138356434 /nfs/dbraw/zinc/35/64/34/1138356434.db2.gz PGVNMLRLUUBLLJ-GDBMZVCRSA-N 1 2 336.407 3.510 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1F ZINC000263821419 1138374370 /nfs/dbraw/zinc/37/43/70/1138374370.db2.gz YBGGOZABCOILDT-OAHLLOKOSA-N 1 2 341.430 3.631 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263931919 1138393654 /nfs/dbraw/zinc/39/36/54/1138393654.db2.gz YZVVTTSQYWGUFL-CYBMUJFWSA-N 1 2 347.846 3.870 20 0 EHADLO Cc1cc(NCCCCNc2cccc[nH+]2)nc(-c2cccnc2)n1 ZINC000263950689 1138396839 /nfs/dbraw/zinc/39/68/39/1138396839.db2.gz XAKTYUPUKQTJBE-UHFFFAOYSA-N 1 2 334.427 3.546 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)N[C@H](C)Cn3cc[nH+]c3)ccc21 ZINC000264026046 1138407441 /nfs/dbraw/zinc/40/74/41/1138407441.db2.gz APJCVIMSYQUQFG-OAHLLOKOSA-N 1 2 339.443 3.704 20 0 EHADLO c1sc(C2CC2)nc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000336869533 1138418391 /nfs/dbraw/zinc/41/83/91/1138418391.db2.gz COIUVMYCAIATJZ-CYBMUJFWSA-N 1 2 330.457 3.661 20 0 EHADLO c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000336869533 1138418394 /nfs/dbraw/zinc/41/83/94/1138418394.db2.gz COIUVMYCAIATJZ-CYBMUJFWSA-N 1 2 330.457 3.661 20 0 EHADLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000336964993 1138436575 /nfs/dbraw/zinc/43/65/75/1138436575.db2.gz IOGDESVKVYLZPY-ZDUSSCGKSA-N 1 2 339.361 3.554 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc(Cl)o2)c1)[NH+]1CCOCC1 ZINC000264200111 1138441220 /nfs/dbraw/zinc/44/12/20/1138441220.db2.gz HNILXRSIXISJDE-LBPRGKRZSA-N 1 2 334.803 3.579 20 0 EHADLO Cc1ccsc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264229027 1138448692 /nfs/dbraw/zinc/44/86/92/1138448692.db2.gz LSYDUKJVCNWSEO-AWEZNQCLSA-N 1 2 330.453 3.702 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000130361071 1138450411 /nfs/dbraw/zinc/45/04/11/1138450411.db2.gz QIRKFTPZBZHVNA-GFCCVEGCSA-N 1 2 336.407 3.545 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264247678 1138453575 /nfs/dbraw/zinc/45/35/75/1138453575.db2.gz OPJOKORANTZLLN-INIZCTEOSA-N 1 2 333.476 3.590 20 0 EHADLO Cc1ccccc1C1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000337088987 1138463999 /nfs/dbraw/zinc/46/39/99/1138463999.db2.gz HZZPAZTVZCEYIM-UHFFFAOYSA-N 1 2 331.419 3.857 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000337122596 1138471450 /nfs/dbraw/zinc/47/14/50/1138471450.db2.gz AWJZMEDLWPFDIJ-GOSISDBHSA-N 1 2 349.409 3.700 20 0 EHADLO C[C@@H](c1cccc(NC(=O)Nc2ccccc2)c1)[NH+]1CCOCC1 ZINC000264318527 1138474446 /nfs/dbraw/zinc/47/44/46/1138474446.db2.gz OOYDUSDDOFMAHE-HNNXBMFYSA-N 1 2 325.412 3.724 20 0 EHADLO CC(C)CC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000337151264 1138480499 /nfs/dbraw/zinc/48/04/99/1138480499.db2.gz LNGLMONGJQIGSR-MRXNPFEDSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000337164438 1138482967 /nfs/dbraw/zinc/48/29/67/1138482967.db2.gz WVMTWIUKWAGBOA-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Br)c(C)c3)C2)n[nH]1 ZINC000337258948 1138511972 /nfs/dbraw/zinc/51/19/72/1138511972.db2.gz VIVHNZUWVQGNFK-CQSZACIVSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(C)c3)C2)n[nH]1 ZINC000337258948 1138511976 /nfs/dbraw/zinc/51/19/76/1138511976.db2.gz VIVHNZUWVQGNFK-CQSZACIVSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Br)c(C)c3)C2)n[nH]1 ZINC000337258947 1138512022 /nfs/dbraw/zinc/51/20/22/1138512022.db2.gz VIVHNZUWVQGNFK-AWEZNQCLSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)c(C)c3)C2)n[nH]1 ZINC000337258947 1138512024 /nfs/dbraw/zinc/51/20/24/1138512024.db2.gz VIVHNZUWVQGNFK-AWEZNQCLSA-N 1 2 349.276 3.564 20 0 EHADLO Fc1cc(F)cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000337384711 1138552294 /nfs/dbraw/zinc/55/22/94/1138552294.db2.gz GZIGYVWXBCEMOV-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO O=C([C@@H]1CCCC(F)(F)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337419160 1138562740 /nfs/dbraw/zinc/56/27/40/1138562740.db2.gz TUIMCVDOEZDSKP-MRXNPFEDSA-N 1 2 339.430 3.727 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3csc(C(C)C)n3)ccc2[nH+]1 ZINC000264676866 1138601051 /nfs/dbraw/zinc/60/10/51/1138601051.db2.gz VVDYNVFJFVZFON-UHFFFAOYSA-N 1 2 343.456 3.587 20 0 EHADLO CCOc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000264697907 1138609215 /nfs/dbraw/zinc/60/92/15/1138609215.db2.gz GEYWVVIZUGSWJM-AWEZNQCLSA-N 1 2 328.416 3.528 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264702746 1138610714 /nfs/dbraw/zinc/61/07/14/1138610714.db2.gz AVSLYSQIXKMZFK-QZTJIDSGSA-N 1 2 338.455 3.635 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264770611 1138634274 /nfs/dbraw/zinc/63/42/74/1138634274.db2.gz SEKPVNBBXBOGRL-HOTGVXAUSA-N 1 2 333.476 3.590 20 0 EHADLO FC(F)(F)[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC12CCC2 ZINC000337816399 1138674746 /nfs/dbraw/zinc/67/47/46/1138674746.db2.gz OOQMDYPGZWTJFZ-CYBMUJFWSA-N 1 2 340.393 3.857 20 0 EHADLO FC(F)(F)[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)CC12CCC2 ZINC000337816399 1138674747 /nfs/dbraw/zinc/67/47/47/1138674747.db2.gz OOQMDYPGZWTJFZ-CYBMUJFWSA-N 1 2 340.393 3.857 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000134506782 1138692499 /nfs/dbraw/zinc/69/24/99/1138692499.db2.gz VLRWIXHGIREYSN-PBHICJAKSA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000134506782 1138692500 /nfs/dbraw/zinc/69/25/00/1138692500.db2.gz VLRWIXHGIREYSN-PBHICJAKSA-N 1 2 334.485 3.624 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3=CCCC3)n2)C1 ZINC000337994232 1138719098 /nfs/dbraw/zinc/71/90/98/1138719098.db2.gz KHEIKPRXZRSDGV-AWEZNQCLSA-N 1 2 348.516 3.997 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3=CCCC3)n2)C1 ZINC000337994232 1138719100 /nfs/dbraw/zinc/71/91/00/1138719100.db2.gz KHEIKPRXZRSDGV-AWEZNQCLSA-N 1 2 348.516 3.997 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338214727 1138790270 /nfs/dbraw/zinc/79/02/70/1138790270.db2.gz ZCRNCJGGDMXCPG-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315274 1138830613 /nfs/dbraw/zinc/83/06/13/1138830613.db2.gz LQRVTXKIVCUTLU-JKSUJKDBSA-N 1 2 334.508 3.593 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315274 1138830615 /nfs/dbraw/zinc/83/06/15/1138830615.db2.gz LQRVTXKIVCUTLU-JKSUJKDBSA-N 1 2 334.508 3.593 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)CC12CCC2 ZINC000338346088 1138845377 /nfs/dbraw/zinc/84/53/77/1138845377.db2.gz GXBCWJZCZNAHPQ-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)CC12CCC2 ZINC000338346088 1138845382 /nfs/dbraw/zinc/84/53/82/1138845382.db2.gz GXBCWJZCZNAHPQ-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(C)[nH]1 ZINC000338349795 1138847358 /nfs/dbraw/zinc/84/73/58/1138847358.db2.gz IUMWGDYHAWCABQ-HNNXBMFYSA-N 1 2 328.378 3.869 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(C)[nH]1 ZINC000338349795 1138847364 /nfs/dbraw/zinc/84/73/64/1138847364.db2.gz IUMWGDYHAWCABQ-HNNXBMFYSA-N 1 2 328.378 3.869 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000338372671 1138865350 /nfs/dbraw/zinc/86/53/50/1138865350.db2.gz SSWNBINLTQBISY-QGZVFWFLSA-N 1 2 325.811 3.554 20 0 EHADLO COC(=O)CC1(C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000338372671 1138865362 /nfs/dbraw/zinc/86/53/62/1138865362.db2.gz SSWNBINLTQBISY-QGZVFWFLSA-N 1 2 325.811 3.554 20 0 EHADLO NC(=O)c1cccc(C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338371346 1138865726 /nfs/dbraw/zinc/86/57/26/1138865726.db2.gz ZYGVFOJNRUFXED-SFHVURJKSA-N 1 2 332.806 3.510 20 0 EHADLO NC(=O)c1cccc(C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338371346 1138865730 /nfs/dbraw/zinc/86/57/30/1138865730.db2.gz ZYGVFOJNRUFXED-SFHVURJKSA-N 1 2 332.806 3.510 20 0 EHADLO O=C(CCCCc1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000887892927 1138969563 /nfs/dbraw/zinc/96/95/63/1138969563.db2.gz PGEPOVLZLWDMNW-UHFFFAOYSA-N 1 2 337.467 3.711 20 0 EHADLO COc1ccc(NCc2c[nH+]cn2C)cc1NC(=O)C1CCCCC1 ZINC000150866718 1138987529 /nfs/dbraw/zinc/98/75/29/1138987529.db2.gz LUZDWSCZDNFXFI-UHFFFAOYSA-N 1 2 342.443 3.560 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccn2)nnn1-c1ccc(F)cc1 ZINC000152375804 1139087402 /nfs/dbraw/zinc/08/74/02/1139087402.db2.gz RYQSWTSOFNJHAV-QWHCGFSZSA-N 1 2 325.391 3.522 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152582185 1139098736 /nfs/dbraw/zinc/09/87/36/1139098736.db2.gz SDWBWRDEEZUTMN-FQEVSTJZSA-N 1 2 345.446 3.563 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H](CCF)C1 ZINC000889543224 1139228985 /nfs/dbraw/zinc/22/89/85/1139228985.db2.gz VSSCALFDEHOQDS-BRWVUGGUSA-N 1 2 348.466 3.586 20 0 EHADLO CC1=C(C)CN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889548628 1139230293 /nfs/dbraw/zinc/23/02/93/1139230293.db2.gz IXRCYHMGPFELOB-QAQDUYKDSA-N 1 2 328.460 3.556 20 0 EHADLO C[C@H](N(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1(C)CC1 ZINC000889555695 1139232663 /nfs/dbraw/zinc/23/26/63/1139232663.db2.gz WBSVLHBKEAOFIW-JYJNAYRXSA-N 1 2 330.476 3.635 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC2(C1)CCCCC2 ZINC000890246179 1139329605 /nfs/dbraw/zinc/32/96/05/1139329605.db2.gz HKTLHSPSQWKWGR-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO CCc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)no1 ZINC000890264847 1139335732 /nfs/dbraw/zinc/33/57/32/1139335732.db2.gz JVTLEFSZWJEJTA-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO Cc1csc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000174451631 1139421108 /nfs/dbraw/zinc/42/11/08/1139421108.db2.gz OWSSSDUKXPXGKC-UHFFFAOYSA-N 1 2 341.480 3.966 20 0 EHADLO Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000174451631 1139421111 /nfs/dbraw/zinc/42/11/11/1139421111.db2.gz OWSSSDUKXPXGKC-UHFFFAOYSA-N 1 2 341.480 3.966 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174664616 1139434514 /nfs/dbraw/zinc/43/45/14/1139434514.db2.gz GZBHLZBWSHJVQW-ZDUSSCGKSA-N 1 2 341.386 3.873 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000175113301 1139464114 /nfs/dbraw/zinc/46/41/14/1139464114.db2.gz HEFPDCJGHSXYIP-HNNXBMFYSA-N 1 2 331.485 3.563 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000175113301 1139464117 /nfs/dbraw/zinc/46/41/17/1139464117.db2.gz HEFPDCJGHSXYIP-HNNXBMFYSA-N 1 2 331.485 3.563 20 0 EHADLO CCc1ccc2c(C[NH2+][C@H](C)c3ncc(C)s3)cc(=O)oc2c1 ZINC000175258768 1139476495 /nfs/dbraw/zinc/47/64/95/1139476495.db2.gz ITTHLYKYMSTWKE-GFCCVEGCSA-N 1 2 328.437 3.971 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000175686830 1139509847 /nfs/dbraw/zinc/50/98/47/1139509847.db2.gz KIWJVGJEJQSWNG-HNNXBMFYSA-N 1 2 333.453 3.669 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000175686830 1139509854 /nfs/dbraw/zinc/50/98/54/1139509854.db2.gz KIWJVGJEJQSWNG-HNNXBMFYSA-N 1 2 333.453 3.669 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)cc1O ZINC000177222209 1139604908 /nfs/dbraw/zinc/60/49/08/1139604908.db2.gz SEIQDFZEMABTLV-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)cc1O ZINC000177222209 1139604912 /nfs/dbraw/zinc/60/49/12/1139604912.db2.gz SEIQDFZEMABTLV-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO Cc1ccc(CN(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1C ZINC000177755508 1139638771 /nfs/dbraw/zinc/63/87/71/1139638771.db2.gz BJUOZGXSKYRSOF-UHFFFAOYSA-N 1 2 348.450 3.825 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000178723037 1139713969 /nfs/dbraw/zinc/71/39/69/1139713969.db2.gz HKQMLHCSHIUHAB-HNNXBMFYSA-N 1 2 341.455 3.647 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000178723037 1139713973 /nfs/dbraw/zinc/71/39/73/1139713973.db2.gz HKQMLHCSHIUHAB-HNNXBMFYSA-N 1 2 341.455 3.647 20 0 EHADLO CC[C@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(OC)cc1 ZINC000178987692 1139728722 /nfs/dbraw/zinc/72/87/22/1139728722.db2.gz PVYUONDXIJUYQD-MRXNPFEDSA-N 1 2 337.423 3.543 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000179164007 1139739878 /nfs/dbraw/zinc/73/98/78/1139739878.db2.gz KVQWOJMZYLWVQB-QGZVFWFLSA-N 1 2 329.419 3.841 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000179164007 1139739885 /nfs/dbraw/zinc/73/98/85/1139739885.db2.gz KVQWOJMZYLWVQB-QGZVFWFLSA-N 1 2 329.419 3.841 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(OC(F)F)c1 ZINC000179583642 1139766102 /nfs/dbraw/zinc/76/61/02/1139766102.db2.gz WXXBJWVSVWAGTQ-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(OC(F)F)cc1 ZINC000179605673 1139767785 /nfs/dbraw/zinc/76/77/85/1139767785.db2.gz WLQCSMVIYVMEIC-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179596337 1139767829 /nfs/dbraw/zinc/76/78/29/1139767829.db2.gz RPOMYKNSTMHGJC-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000180803571 1139864885 /nfs/dbraw/zinc/86/48/85/1139864885.db2.gz BPGZAFAUTRCMDA-IEBWSBKVSA-N 1 2 341.455 3.586 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181322118 1139900411 /nfs/dbraw/zinc/90/04/11/1139900411.db2.gz JIVCGJLGWLQRAR-CHWSQXEVSA-N 1 2 344.415 3.561 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182689210 1139987006 /nfs/dbraw/zinc/98/70/06/1139987006.db2.gz VDQNRZUZYWPZNE-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCc2c(cccc2OC)C1 ZINC000182689210 1139987010 /nfs/dbraw/zinc/98/70/10/1139987010.db2.gz VDQNRZUZYWPZNE-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1CC(C)C)c1ccccc1OC(F)F ZINC000183100422 1140013406 /nfs/dbraw/zinc/01/34/06/1140013406.db2.gz IBULKHSAKBYZFX-CQSZACIVSA-N 1 2 338.402 3.776 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183117737 1140014764 /nfs/dbraw/zinc/01/47/64/1140014764.db2.gz CKAALKORWLHTAC-OPAMFIHVSA-N 1 2 336.526 3.695 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)cnn1C ZINC000183396810 1140035003 /nfs/dbraw/zinc/03/50/03/1140035003.db2.gz WHSVUAYOCYYXPZ-JTQLQIEISA-N 1 2 332.354 3.513 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1C ZINC000183555778 1140046505 /nfs/dbraw/zinc/04/65/05/1140046505.db2.gz DIQAFPSQWUWNEY-RISCZKNCSA-N 1 2 334.441 3.941 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)s1 ZINC000184204987 1140087648 /nfs/dbraw/zinc/08/76/48/1140087648.db2.gz HZXUQPOONGRCLN-AWEZNQCLSA-N 1 2 337.441 3.631 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000184515711 1140106637 /nfs/dbraw/zinc/10/66/37/1140106637.db2.gz HYPVLZVUMWKUKW-CYBMUJFWSA-N 1 2 330.211 3.808 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)c(C)c1)c1ccc(C)o1 ZINC000184634857 1140112939 /nfs/dbraw/zinc/11/29/39/1140112939.db2.gz FUUGFRWMMZRNLG-DOTOQJQBSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cs1 ZINC000184687511 1140115379 /nfs/dbraw/zinc/11/53/79/1140115379.db2.gz GPAYQHMBGCATQT-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(SC)c1)c1ccc(C)o1 ZINC000184708377 1140116454 /nfs/dbraw/zinc/11/64/54/1140116454.db2.gz WYKHTINRUWDRBN-CZUORRHYSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cs1 ZINC000184734042 1140118165 /nfs/dbraw/zinc/11/81/65/1140118165.db2.gz SMUINLYIMGMMKO-LSDHHAIUSA-N 1 2 345.512 3.850 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCCCC1 ZINC000184869574 1140123529 /nfs/dbraw/zinc/12/35/29/1140123529.db2.gz DRQCNQQRBXYQFE-HZPDHXFCSA-N 1 2 341.455 3.783 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886496 1140123836 /nfs/dbraw/zinc/12/38/36/1140123836.db2.gz XJHCTWVCWGNNBC-ZNMIVQPWSA-N 1 2 329.444 3.686 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)s1 ZINC000185021900 1140131856 /nfs/dbraw/zinc/13/18/56/1140131856.db2.gz SFMASBREJQXFTG-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000357456524 1140168590 /nfs/dbraw/zinc/16/85/90/1140168590.db2.gz RXOKSYRCRAFLRA-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000186439147 1140204246 /nfs/dbraw/zinc/20/42/46/1140204246.db2.gz NGFYQLDHFLDIBF-OAHLLOKOSA-N 1 2 348.450 3.723 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)OCO2 ZINC000186826218 1140223844 /nfs/dbraw/zinc/22/38/44/1140223844.db2.gz ZHEMOBSFZPJDNW-LBPRGKRZSA-N 1 2 332.400 3.569 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187045713 1140234965 /nfs/dbraw/zinc/23/49/65/1140234965.db2.gz HFNSELBSNCAZOZ-HNNXBMFYSA-N 1 2 334.510 3.874 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187045713 1140234966 /nfs/dbraw/zinc/23/49/66/1140234966.db2.gz HFNSELBSNCAZOZ-HNNXBMFYSA-N 1 2 334.510 3.874 20 0 EHADLO C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)CC1(CO)CC1 ZINC000190008141 1140379577 /nfs/dbraw/zinc/37/95/77/1140379577.db2.gz RZRULEKQOIAIQL-UHFFFAOYSA-N 1 2 336.888 3.592 20 0 EHADLO C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)CC1(CO)CC1 ZINC000190008141 1140379584 /nfs/dbraw/zinc/37/95/84/1140379584.db2.gz RZRULEKQOIAIQL-UHFFFAOYSA-N 1 2 336.888 3.592 20 0 EHADLO COC(=O)c1cc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)oc1C ZINC000190609637 1140412081 /nfs/dbraw/zinc/41/20/81/1140412081.db2.gz HYAHSLZQQYQHCV-WMLDXEAASA-N 1 2 340.423 3.975 20 0 EHADLO COC(=O)c1cc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)oc1C ZINC000190609637 1140412084 /nfs/dbraw/zinc/41/20/84/1140412084.db2.gz HYAHSLZQQYQHCV-WMLDXEAASA-N 1 2 340.423 3.975 20 0 EHADLO CCS(=O)(=O)CCCCCSCc1[nH+]cc(C)c(OC)c1C ZINC000191152917 1140440210 /nfs/dbraw/zinc/44/02/10/1140440210.db2.gz LIPXOHJXTHQHPL-UHFFFAOYSA-N 1 2 345.530 3.545 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cn1 ZINC000191601356 1140474696 /nfs/dbraw/zinc/47/46/96/1140474696.db2.gz TXCPHSXYZYUXBN-UHFFFAOYSA-N 1 2 347.466 3.673 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccccc3NC(C)=O)CCO2)cc1 ZINC000191665349 1140477208 /nfs/dbraw/zinc/47/72/08/1140477208.db2.gz NDMJJGLKVFMZMK-OAQYLSRUSA-N 1 2 338.451 3.781 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccccc3NC(C)=O)CCO2)cc1 ZINC000191665349 1140477217 /nfs/dbraw/zinc/47/72/17/1140477217.db2.gz NDMJJGLKVFMZMK-OAQYLSRUSA-N 1 2 338.451 3.781 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccoc1Cl ZINC000192307387 1140521567 /nfs/dbraw/zinc/52/15/67/1140521567.db2.gz PZOWQCHCAXCDNR-UHFFFAOYSA-N 1 2 333.819 3.638 20 0 EHADLO Nc1cc(CSc2nnc(Cc3cccs3)n2C2CC2)cc[nH+]1 ZINC000193075606 1140561622 /nfs/dbraw/zinc/56/16/22/1140561622.db2.gz PLGCHIWEKPVPEK-UHFFFAOYSA-N 1 2 343.481 3.535 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193317690 1140571099 /nfs/dbraw/zinc/57/10/99/1140571099.db2.gz UORFFKAXIYDPCY-OXJNMPFZSA-N 1 2 325.456 3.661 20 0 EHADLO Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1OCCC(C)C ZINC000193326356 1140572032 /nfs/dbraw/zinc/57/20/32/1140572032.db2.gz AZYLNUMIXUNYRG-UHFFFAOYSA-N 1 2 329.444 3.725 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)CC2 ZINC000429576000 1140576405 /nfs/dbraw/zinc/57/64/05/1140576405.db2.gz FNAJMXIKBIAJAS-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)CC2 ZINC000429576000 1140576407 /nfs/dbraw/zinc/57/64/07/1140576407.db2.gz FNAJMXIKBIAJAS-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000266306430 1140665446 /nfs/dbraw/zinc/66/54/46/1140665446.db2.gz CACFFOYPRHDNQA-HXUWFJFHSA-N 1 2 325.456 3.974 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ncc(C(C)(C)C)o1 ZINC000267083879 1140757127 /nfs/dbraw/zinc/75/71/27/1140757127.db2.gz VMVHELDCSXHAHS-QWHCGFSZSA-N 1 2 341.455 3.903 20 0 EHADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000267201508 1140767839 /nfs/dbraw/zinc/76/78/39/1140767839.db2.gz LLSHUYHRQDLVIL-HNNXBMFYSA-N 1 2 336.439 3.676 20 0 EHADLO Cc1[nH]ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000267366869 1140783357 /nfs/dbraw/zinc/78/33/57/1140783357.db2.gz PBIZHUWVRFMENX-INIZCTEOSA-N 1 2 349.837 3.683 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267441879 1140791857 /nfs/dbraw/zinc/79/18/57/1140791857.db2.gz JXIMVXZZYMESKN-CQSZACIVSA-N 1 2 342.443 3.999 20 0 EHADLO Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC(C)C ZINC000267498463 1140797543 /nfs/dbraw/zinc/79/75/43/1140797543.db2.gz YBGMYUCAVPFVGM-UHFFFAOYSA-N 1 2 342.443 3.917 20 0 EHADLO CC(C)c1nc(C2CC[NH+](Cc3cnc(Cl)s3)CC2)no1 ZINC000267513014 1140798737 /nfs/dbraw/zinc/79/87/37/1140798737.db2.gz QPRHELSCBCMWMF-UHFFFAOYSA-N 1 2 326.853 3.683 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267662441 1140817468 /nfs/dbraw/zinc/81/74/68/1140817468.db2.gz KHTMTXBKDNYGAQ-UTKZUKDTSA-N 1 2 345.446 3.950 20 0 EHADLO CCn1c(SCc2c[nH+]cn2C)nnc1-c1cccc(Cl)c1 ZINC000267719131 1140824938 /nfs/dbraw/zinc/82/49/38/1140824938.db2.gz ASBSJLGHADSQMO-UHFFFAOYSA-N 1 2 333.848 3.644 20 0 EHADLO CCc1ccc(-c2nc(C[S@](=O)Cc3c[nH+]cn3C)cs2)cc1 ZINC000268131451 1140888523 /nfs/dbraw/zinc/88/85/23/1140888523.db2.gz FPUZCGMULOMMOE-QHCPKHFHSA-N 1 2 345.493 3.555 20 0 EHADLO C[C@H]1CCN(c2ncnc3cc(Cl)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000268269855 1140912604 /nfs/dbraw/zinc/91/26/04/1140912604.db2.gz OJQBICNVJLJIQU-LRDDRELGSA-N 1 2 327.819 3.567 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000268412972 1140935500 /nfs/dbraw/zinc/93/55/00/1140935500.db2.gz URHNKNUSRUTEPE-JQWIXIFHSA-N 1 2 347.469 3.669 20 0 EHADLO Cc1ccc([C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000268490413 1140946962 /nfs/dbraw/zinc/94/69/62/1140946962.db2.gz DLOQUVOKAQAQSJ-LJQANCHMSA-N 1 2 334.423 3.593 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700494 1140972751 /nfs/dbraw/zinc/97/27/51/1140972751.db2.gz VCTPVPZCYHTMAT-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700494 1140972754 /nfs/dbraw/zinc/97/27/54/1140972754.db2.gz VCTPVPZCYHTMAT-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268731660 1140978703 /nfs/dbraw/zinc/97/87/03/1140978703.db2.gz UGLQERDBYIAOEL-YZGWKJHDSA-N 1 2 341.499 3.525 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968626 1141037214 /nfs/dbraw/zinc/03/72/14/1141037214.db2.gz LCHJEPIOFOTMRE-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968626 1141037222 /nfs/dbraw/zinc/03/72/22/1141037222.db2.gz LCHJEPIOFOTMRE-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000269214695 1141079461 /nfs/dbraw/zinc/07/94/61/1141079461.db2.gz SFUARNHPQMJPPQ-OAHLLOKOSA-N 1 2 330.432 3.614 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000269260940 1141085644 /nfs/dbraw/zinc/08/56/44/1141085644.db2.gz BFIZOHUMKBKSAR-KRWDZBQOSA-N 1 2 338.455 3.721 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000269499790 1141115927 /nfs/dbraw/zinc/11/59/27/1141115927.db2.gz MZCLLRBBAMUARH-INIZCTEOSA-N 1 2 345.468 3.765 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000269883229 1141154156 /nfs/dbraw/zinc/15/41/56/1141154156.db2.gz ZTCDWOXKRIMDOO-IRXDYDNUSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269936489 1141160507 /nfs/dbraw/zinc/16/05/07/1141160507.db2.gz BTKNQCWQVTUYRV-MRXNPFEDSA-N 1 2 347.422 3.883 20 0 EHADLO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ncc1Br ZINC000270214340 1141192911 /nfs/dbraw/zinc/19/29/11/1141192911.db2.gz KEBGUSWXSYFULC-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270340311 1141209001 /nfs/dbraw/zinc/20/90/01/1141209001.db2.gz DSTGVVOECJOAHG-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270340311 1141209005 /nfs/dbraw/zinc/20/90/05/1141209005.db2.gz DSTGVVOECJOAHG-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO CCC[N@@H+](Cc1ncc(C2CC2)o1)C[C@H]1COc2ccccc2O1 ZINC000270602923 1141244107 /nfs/dbraw/zinc/24/41/07/1141244107.db2.gz MBTBFFGCNFJXHC-HNNXBMFYSA-N 1 2 328.412 3.604 20 0 EHADLO CCC[N@H+](Cc1ncc(C2CC2)o1)C[C@H]1COc2ccccc2O1 ZINC000270602923 1141244111 /nfs/dbraw/zinc/24/41/11/1141244111.db2.gz MBTBFFGCNFJXHC-HNNXBMFYSA-N 1 2 328.412 3.604 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)[nH]1 ZINC000270618217 1141246185 /nfs/dbraw/zinc/24/61/85/1141246185.db2.gz BPWRXOLUOAJQCN-LBPRGKRZSA-N 1 2 328.391 3.925 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1)[NH+]1CCOCC1 ZINC000271111392 1141308476 /nfs/dbraw/zinc/30/84/76/1141308476.db2.gz BKKREJVLIWCPMC-ZACQAIPSSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000271111390 1141308627 /nfs/dbraw/zinc/30/86/27/1141308627.db2.gz BKKREJVLIWCPMC-IXDOHACOSA-N 1 2 345.487 3.732 20 0 EHADLO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cscn1)c1cccc(OC)c1 ZINC000271113328 1141309186 /nfs/dbraw/zinc/30/91/86/1141309186.db2.gz HVKZYORCVXUBSB-KSSFIOAISA-N 1 2 333.501 3.885 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000271118208 1141309919 /nfs/dbraw/zinc/30/99/19/1141309919.db2.gz KIKWJWXIEILAFR-IEBWSBKVSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000271118208 1141309923 /nfs/dbraw/zinc/30/99/23/1141309923.db2.gz KIKWJWXIEILAFR-IEBWSBKVSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccon2)cc(C)c1OCc1ccccn1 ZINC000271194070 1141322587 /nfs/dbraw/zinc/32/25/87/1141322587.db2.gz MSPPEUINZQRUJS-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccon2)cc(C)c1OCc1ccccn1 ZINC000271194070 1141322595 /nfs/dbraw/zinc/32/25/95/1141322595.db2.gz MSPPEUINZQRUJS-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C[C@H]3C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000274136560 1141478864 /nfs/dbraw/zinc/47/88/64/1141478864.db2.gz WIWBYWRGCMBYAU-XYJFISCASA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C[C@H]3C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000274136560 1141478868 /nfs/dbraw/zinc/47/88/68/1141478868.db2.gz WIWBYWRGCMBYAU-XYJFISCASA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000274178984 1141482209 /nfs/dbraw/zinc/48/22/09/1141482209.db2.gz IQLALZZDNCGMJG-SNVBAGLBSA-N 1 2 325.243 3.772 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000274178981 1141482278 /nfs/dbraw/zinc/48/22/78/1141482278.db2.gz IQLALZZDNCGMJG-JTQLQIEISA-N 1 2 325.243 3.772 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274243942 1141489292 /nfs/dbraw/zinc/48/92/92/1141489292.db2.gz GVAOTIRSCBOSHC-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274243942 1141489294 /nfs/dbraw/zinc/48/92/94/1141489294.db2.gz GVAOTIRSCBOSHC-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nc(Cl)ccc3Cl)CC2)n[nH]1 ZINC000274302466 1141495255 /nfs/dbraw/zinc/49/52/55/1141495255.db2.gz KCRYWSGRECDXOT-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nc(Cl)ccc3Cl)CC2)[nH]n1 ZINC000274302466 1141495257 /nfs/dbraw/zinc/49/52/57/1141495257.db2.gz KCRYWSGRECDXOT-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Clc1ccc(-n2ccc(CN3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000274338732 1141499173 /nfs/dbraw/zinc/49/91/73/1141499173.db2.gz NVIZYTZBAWSMFG-AWEZNQCLSA-N 1 2 341.846 3.628 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC000348577668 1141554310 /nfs/dbraw/zinc/55/43/10/1141554310.db2.gz MPMSLGFRZBSHAD-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC000348577668 1141554312 /nfs/dbraw/zinc/55/43/12/1141554312.db2.gz MPMSLGFRZBSHAD-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000348637253 1141559394 /nfs/dbraw/zinc/55/93/94/1141559394.db2.gz TZCIOKGWJANSHQ-UHFFFAOYSA-N 1 2 327.375 3.790 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000348637253 1141559397 /nfs/dbraw/zinc/55/93/97/1141559397.db2.gz TZCIOKGWJANSHQ-UHFFFAOYSA-N 1 2 327.375 3.790 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc(C2CC2)cs1)c1cccc(Cl)c1 ZINC000348758044 1141576220 /nfs/dbraw/zinc/57/62/20/1141576220.db2.gz XVBOEVHEECIDBJ-CQSZACIVSA-N 1 2 335.860 3.915 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](CCC(=O)c1ccc(F)cc1)CC2 ZINC000348816190 1141586136 /nfs/dbraw/zinc/58/61/36/1141586136.db2.gz ZDTDXOMZPADWLB-UHFFFAOYSA-N 1 2 331.362 3.605 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](CCC(=O)c1ccc(F)cc1)CC2 ZINC000348816190 1141586138 /nfs/dbraw/zinc/58/61/38/1141586138.db2.gz ZDTDXOMZPADWLB-UHFFFAOYSA-N 1 2 331.362 3.605 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cnc(-c3ccsc3)s1)C2 ZINC000348878970 1141602552 /nfs/dbraw/zinc/60/25/52/1141602552.db2.gz RKVURJGTVJVUKG-UHFFFAOYSA-N 1 2 344.461 3.972 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1cnc(-c3ccsc3)s1)C2 ZINC000348878970 1141602554 /nfs/dbraw/zinc/60/25/54/1141602554.db2.gz RKVURJGTVJVUKG-UHFFFAOYSA-N 1 2 344.461 3.972 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@H]3c3ccncc3)c(C(C)C)nc2s1 ZINC000348920588 1141609330 /nfs/dbraw/zinc/60/93/30/1141609330.db2.gz KUMJLADJGQVOAM-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@H]3c3ccncc3)c(C(C)C)nc2s1 ZINC000348920588 1141609332 /nfs/dbraw/zinc/60/93/32/1141609332.db2.gz KUMJLADJGQVOAM-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000349021310 1141624290 /nfs/dbraw/zinc/62/42/90/1141624290.db2.gz CNSODZGQUXAMSR-LJQANCHMSA-N 1 2 326.415 3.735 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000349033013 1141624885 /nfs/dbraw/zinc/62/48/85/1141624885.db2.gz GGZLXMMZOSEBKM-OAHLLOKOSA-N 1 2 343.496 3.667 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000349044050 1141627530 /nfs/dbraw/zinc/62/75/30/1141627530.db2.gz AVYVSOZZASSXTR-IEBWSBKVSA-N 1 2 345.446 3.966 20 0 EHADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@@H]1C1CCCC1 ZINC000056831579 214391189 /nfs/dbraw/zinc/39/11/89/214391189.db2.gz MUDNWAGIILPWIQ-MRXNPFEDSA-N 1 2 346.862 3.852 20 0 EHADLO COC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000037972042 213177773 /nfs/dbraw/zinc/17/77/73/213177773.db2.gz WVOCFCPNDCMGKY-AWEZNQCLSA-N 1 2 326.234 3.586 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCCC[C@H]1c1ccco1)c1ccccc1 ZINC000078830389 217130435 /nfs/dbraw/zinc/13/04/35/217130435.db2.gz AHWOMLHVEGKUGA-KRWDZBQOSA-N 1 2 333.453 3.671 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCCC[C@H]1c1ccco1)c1ccccc1 ZINC000078830389 217130438 /nfs/dbraw/zinc/13/04/38/217130438.db2.gz AHWOMLHVEGKUGA-KRWDZBQOSA-N 1 2 333.453 3.671 20 0 EHADLO CCCCc1cc(NCCCC(=O)N2Cc3ccccc3C2)nc[nH+]1 ZINC000631116043 479903172 /nfs/dbraw/zinc/90/31/72/479903172.db2.gz WDNPDCWXXFJOKO-UHFFFAOYSA-N 1 2 338.455 3.554 20 0 EHADLO CC(C)CCn1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000527251092 478418910 /nfs/dbraw/zinc/41/89/10/478418910.db2.gz LTFDVZVSMSODBK-CQSZACIVSA-N 1 2 343.475 3.519 20 0 EHADLO CC(C)CCn1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000527251092 478418917 /nfs/dbraw/zinc/41/89/17/478418917.db2.gz LTFDVZVSMSODBK-CQSZACIVSA-N 1 2 343.475 3.519 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cs1 ZINC000041010649 526893404 /nfs/dbraw/zinc/89/34/04/526893404.db2.gz BLGRPAXCUNZUHI-CYBMUJFWSA-N 1 2 339.258 3.827 20 0 EHADLO CCOc1cc(C[NH2+]Cc2csc(CC)n2)cc(Cl)c1O ZINC000459395457 1032059768 /nfs/dbraw/zinc/05/97/68/1032059768.db2.gz CEMILMXVEUBYCP-UHFFFAOYSA-N 1 2 326.849 3.753 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153248774 1125459931 /nfs/dbraw/zinc/45/99/31/1125459931.db2.gz LDYMXDDSBKSZOK-AEFFLSMTSA-N 1 2 334.508 3.936 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cn(C)nc2C(F)F)[C@H](C)CO1 ZINC000274511139 1014161689 /nfs/dbraw/zinc/16/16/89/1014161689.db2.gz VJIWDSJRCVEZEF-CZUORRHYSA-N 1 2 335.398 3.628 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)[C@H](C)CO1 ZINC000274511139 1014161694 /nfs/dbraw/zinc/16/16/94/1014161694.db2.gz VJIWDSJRCVEZEF-CZUORRHYSA-N 1 2 335.398 3.628 20 0 EHADLO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3cc(C)on3)cc(=O)oc2c1 ZINC000044590333 1014185539 /nfs/dbraw/zinc/18/55/39/1014185539.db2.gz VLCSWHZXCVTTLB-SFHVURJKSA-N 1 2 338.407 3.989 20 0 EHADLO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3cc(C)on3)cc(=O)oc2c1 ZINC000044590333 1014185543 /nfs/dbraw/zinc/18/55/43/1014185543.db2.gz VLCSWHZXCVTTLB-SFHVURJKSA-N 1 2 338.407 3.989 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1C ZINC000339378881 1014298281 /nfs/dbraw/zinc/29/82/81/1014298281.db2.gz QUHPBZZKYMWIIN-OAHLLOKOSA-N 1 2 342.414 3.645 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1C ZINC000339378881 1014298287 /nfs/dbraw/zinc/29/82/87/1014298287.db2.gz QUHPBZZKYMWIIN-OAHLLOKOSA-N 1 2 342.414 3.645 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000274600845 1014301144 /nfs/dbraw/zinc/30/11/44/1014301144.db2.gz MVRJQOJZODYUQU-OAHLLOKOSA-N 1 2 327.428 3.727 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CSC(C)(C)C)n2)CC1 ZINC000021135631 1014338347 /nfs/dbraw/zinc/33/83/47/1014338347.db2.gz IWVPGABSHCZQCL-UHFFFAOYSA-N 1 2 341.546 3.845 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000510047166 1014472940 /nfs/dbraw/zinc/47/29/40/1014472940.db2.gz FENFQHAWRREYKW-MDZRGWNJSA-N 1 2 325.456 3.734 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000339444560 1014499635 /nfs/dbraw/zinc/49/96/35/1014499635.db2.gz OQKQZMVMOJVREB-GOSISDBHSA-N 1 2 329.419 3.695 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000339444560 1014499638 /nfs/dbraw/zinc/49/96/38/1014499638.db2.gz OQKQZMVMOJVREB-GOSISDBHSA-N 1 2 329.419 3.695 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000510062921 1014569172 /nfs/dbraw/zinc/56/91/72/1014569172.db2.gz AMDYFUSFKDJGMC-LBPRGKRZSA-N 1 2 348.393 3.945 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)s1 ZINC000728196635 1014944019 /nfs/dbraw/zinc/94/40/19/1014944019.db2.gz NQRITHBDJASZNQ-INIZCTEOSA-N 1 2 328.481 3.770 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)s1 ZINC000728196635 1014944031 /nfs/dbraw/zinc/94/40/31/1014944031.db2.gz NQRITHBDJASZNQ-INIZCTEOSA-N 1 2 328.481 3.770 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000634580397 1015007071 /nfs/dbraw/zinc/00/70/71/1015007071.db2.gz DNZJNPRPHIBQIK-XIKOKIGWSA-N 1 2 346.377 3.656 20 0 EHADLO Cc1nsc(NC2CC2)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000339592735 1015104657 /nfs/dbraw/zinc/10/46/57/1015104657.db2.gz GNQLNIOJHGZKNA-UHFFFAOYSA-N 1 2 339.424 3.668 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnc(-c2ccco2)c1 ZINC001125301521 1015304286 /nfs/dbraw/zinc/30/42/86/1015304286.db2.gz USFFPMPVSORIPU-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339623873 1015408366 /nfs/dbraw/zinc/40/83/66/1015408366.db2.gz SKMXCPCHRWGFGD-ROUUACIJSA-N 1 2 340.471 3.706 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Cl)cn1 ZINC000274813343 1015408466 /nfs/dbraw/zinc/40/84/66/1015408466.db2.gz YKPYXNJWBQLVTD-SNVBAGLBSA-N 1 2 327.762 3.625 20 0 EHADLO Cc1cccc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1 ZINC000430259146 1015448678 /nfs/dbraw/zinc/44/86/78/1015448678.db2.gz DTYCOLXUMGQFBK-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1 ZINC000430259146 1015448684 /nfs/dbraw/zinc/44/86/84/1015448684.db2.gz DTYCOLXUMGQFBK-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000255001933 1015477187 /nfs/dbraw/zinc/47/71/87/1015477187.db2.gz HPTOATOZNNFYJD-JYRVWZFOSA-N 1 2 349.478 3.551 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1ncc(Br)s1 ZINC000339682402 1015510215 /nfs/dbraw/zinc/51/02/15/1015510215.db2.gz HZIAGQBGIYPUJB-JQWIXIFHSA-N 1 2 341.274 3.680 20 0 EHADLO O=C(CCc1c(Cl)cccc1Cl)NCCNc1cccc[nH+]1 ZINC000655387703 1015514816 /nfs/dbraw/zinc/51/48/16/1015514816.db2.gz NXGFAZQPVKJXLN-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191538 990782457 /nfs/dbraw/zinc/78/24/57/990782457.db2.gz LALPEMKVSDOKPH-CABCVRRESA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191538 990782463 /nfs/dbraw/zinc/78/24/63/990782463.db2.gz LALPEMKVSDOKPH-CABCVRRESA-N 1 2 345.270 3.535 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC000655412718 1015594887 /nfs/dbraw/zinc/59/48/87/1015594887.db2.gz XGGABQIIFXCUIT-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339812742 1015696175 /nfs/dbraw/zinc/69/61/75/1015696175.db2.gz CHDIHSGZXWEYJT-MRXNPFEDSA-N 1 2 349.365 3.710 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000339821968 1015701874 /nfs/dbraw/zinc/70/18/74/1015701874.db2.gz MOSZNFSBBICOFR-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)[nH+]c12 ZINC000546719202 1032127506 /nfs/dbraw/zinc/12/75/06/1032127506.db2.gz XGHKAYAYFCFTAY-SJORKVTESA-N 1 2 327.472 3.906 20 0 EHADLO CC(C)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000154777463 1015804006 /nfs/dbraw/zinc/80/40/06/1015804006.db2.gz KQQXDLDQAMUNMN-QGZVFWFLSA-N 1 2 333.863 3.825 20 0 EHADLO COc1cc2c(cc1NC(=O)CCn1cc[nH+]c1)oc1ccccc12 ZINC000078344101 1015921806 /nfs/dbraw/zinc/92/18/06/1015921806.db2.gz ZBKXZFRINCGYKA-UHFFFAOYSA-N 1 2 335.363 3.820 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625206992 1015928055 /nfs/dbraw/zinc/92/80/55/1015928055.db2.gz MQIXFNVGOOGEIR-UHFFFAOYSA-N 1 2 348.450 3.523 20 0 EHADLO CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCCC1 ZINC000180480071 1015958096 /nfs/dbraw/zinc/95/80/96/1015958096.db2.gz HDMIPVFRLIEPBX-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001167106761 1016044098 /nfs/dbraw/zinc/04/40/98/1016044098.db2.gz IBQARDYGRWOAHN-CVEARBPZSA-N 1 2 340.471 3.919 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC001167106761 1016044110 /nfs/dbraw/zinc/04/41/10/1016044110.db2.gz IBQARDYGRWOAHN-CVEARBPZSA-N 1 2 340.471 3.919 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cncc(F)c1 ZINC000275153958 1016097963 /nfs/dbraw/zinc/09/79/63/1016097963.db2.gz UGFAXSAXPQSXCT-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cncc(F)c1 ZINC000275153958 1016097974 /nfs/dbraw/zinc/09/79/74/1016097974.db2.gz UGFAXSAXPQSXCT-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc3c2OCCCO3)cs1 ZINC000275156044 1016098180 /nfs/dbraw/zinc/09/81/80/1016098180.db2.gz VRGYJQUVIZPGQD-INIZCTEOSA-N 1 2 330.453 3.950 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc3c2OCCCO3)cs1 ZINC000275156044 1016098187 /nfs/dbraw/zinc/09/81/87/1016098187.db2.gz VRGYJQUVIZPGQD-INIZCTEOSA-N 1 2 330.453 3.950 20 0 EHADLO Cc1cc(C)c(CNc2ccccc2S(=O)(=O)C(F)(F)F)c[nH+]1 ZINC000396972810 1016106312 /nfs/dbraw/zinc/10/63/12/1016106312.db2.gz HOPQUXWEZOOFJX-UHFFFAOYSA-N 1 2 344.358 3.604 20 0 EHADLO O=C1CC2(CC[NH+](Cc3ccc(F)cc3F)CC2)Oc2ccccc21 ZINC000039227047 1016128239 /nfs/dbraw/zinc/12/82/39/1016128239.db2.gz XPHNWMXBLYGODO-UHFFFAOYSA-N 1 2 343.373 3.965 20 0 EHADLO CN(CCCc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340027351 1016139257 /nfs/dbraw/zinc/13/92/57/1016139257.db2.gz NIUGTIQXSDQDNS-UHFFFAOYSA-N 1 2 333.435 3.636 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2[nH+]1 ZINC000042060104 1016191275 /nfs/dbraw/zinc/19/12/75/1016191275.db2.gz LMUYZWYHBAJQJU-UHFFFAOYSA-N 1 2 338.392 3.743 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ccoc2)n1)C(=O)NCC1CCCC1 ZINC000155138647 1016200314 /nfs/dbraw/zinc/20/03/14/1016200314.db2.gz RJKSNYDPRABDSI-UHFFFAOYSA-N 1 2 347.484 3.578 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175433865 1016248055 /nfs/dbraw/zinc/24/80/55/1016248055.db2.gz ZPCPFIIRKOACEJ-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000120511350 1016275432 /nfs/dbraw/zinc/27/54/32/1016275432.db2.gz LEBJVDXBNLQTLX-ZDUSSCGKSA-N 1 2 326.469 3.950 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000120511350 1016275438 /nfs/dbraw/zinc/27/54/38/1016275438.db2.gz LEBJVDXBNLQTLX-ZDUSSCGKSA-N 1 2 326.469 3.950 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000683356109 1016324502 /nfs/dbraw/zinc/32/45/02/1016324502.db2.gz QBLNZXIKSJTSHK-CQSZACIVSA-N 1 2 348.365 3.979 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000683356109 1016324509 /nfs/dbraw/zinc/32/45/09/1016324509.db2.gz QBLNZXIKSJTSHK-CQSZACIVSA-N 1 2 348.365 3.979 20 0 EHADLO c1csc(-c2nc(C[NH+]3CCC(Oc4ccccn4)CC3)co2)c1 ZINC000348512785 1016365673 /nfs/dbraw/zinc/36/56/73/1016365673.db2.gz VPWUFAPHDOGXMN-UHFFFAOYSA-N 1 2 341.436 3.842 20 0 EHADLO O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177985759 1016507039 /nfs/dbraw/zinc/50/70/39/1016507039.db2.gz ITJIFVFUGKUFJV-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO Cc1nc(N2C[C@@H]3COC[C@H](C2)C3(F)F)cc(C2CCCCC2)[nH+]1 ZINC001167184781 1016510323 /nfs/dbraw/zinc/51/03/23/1016510323.db2.gz LWPZDFWTVCTLIP-GASCZTMLSA-N 1 2 337.414 3.551 20 0 EHADLO CCOc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC001209894153 1016646185 /nfs/dbraw/zinc/64/61/85/1016646185.db2.gz UXNMKIOMMJBUKT-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C)[nH]1 ZINC000340189204 1016653009 /nfs/dbraw/zinc/65/30/09/1016653009.db2.gz XDHMGXWCOJTEAG-INIZCTEOSA-N 1 2 332.831 3.621 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C)[nH]1 ZINC000340189204 1016653016 /nfs/dbraw/zinc/65/30/16/1016653016.db2.gz XDHMGXWCOJTEAG-INIZCTEOSA-N 1 2 332.831 3.621 20 0 EHADLO CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001167244624 1016741494 /nfs/dbraw/zinc/74/14/94/1016741494.db2.gz WRLLZKHXFHCNMG-CYBMUJFWSA-N 1 2 340.826 3.674 20 0 EHADLO CCC[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001167244624 1016741507 /nfs/dbraw/zinc/74/15/07/1016741507.db2.gz WRLLZKHXFHCNMG-CYBMUJFWSA-N 1 2 340.826 3.674 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000668412822 1032150729 /nfs/dbraw/zinc/15/07/29/1032150729.db2.gz RXLWSEBEDIKKTK-IACUBPJLSA-N 1 2 325.437 3.616 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000237110373 1016858165 /nfs/dbraw/zinc/85/81/65/1016858165.db2.gz INPFDKDEKVSUAF-QGZVFWFLSA-N 1 2 338.432 3.809 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)n1 ZINC000547837299 1017015475 /nfs/dbraw/zinc/01/54/75/1017015475.db2.gz AXTZOQBNDHWUJA-HXUWFJFHSA-N 1 2 341.455 3.680 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)n1 ZINC000547837299 1017015483 /nfs/dbraw/zinc/01/54/83/1017015483.db2.gz AXTZOQBNDHWUJA-HXUWFJFHSA-N 1 2 341.455 3.680 20 0 EHADLO Cc1ccc([C@@H](CC(F)(F)F)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001267612888 1017033088 /nfs/dbraw/zinc/03/30/88/1017033088.db2.gz BDBHMQSELLFSAY-DZGCQCFKSA-N 1 2 339.361 3.953 20 0 EHADLO Cc1ccc(-c2cc(-c3nc([C@H]([NH3+])CC(C)C)no3)[nH]n2)c(C)c1 ZINC000414617295 1017057783 /nfs/dbraw/zinc/05/77/83/1017057783.db2.gz LBNOYHUMXXZXFS-CQSZACIVSA-N 1 2 325.416 3.789 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)o1 ZINC000538149367 1032189131 /nfs/dbraw/zinc/18/91/31/1032189131.db2.gz WWPOYPDHRIMOMQ-VBHSOAQHSA-N 1 2 347.386 3.728 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)o1 ZINC000538149367 1032189139 /nfs/dbraw/zinc/18/91/39/1032189139.db2.gz WWPOYPDHRIMOMQ-VBHSOAQHSA-N 1 2 347.386 3.728 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000299735777 1032194260 /nfs/dbraw/zinc/19/42/60/1032194260.db2.gz MOTWAOUBAWFOCJ-LIMHQNJXSA-N 1 2 325.431 3.613 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(Cl)c1 ZINC000459501150 1032202905 /nfs/dbraw/zinc/20/29/05/1032202905.db2.gz ZDPYRCAJLLTXQN-UHFFFAOYSA-N 1 2 347.864 3.542 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1cccc(O)c1 ZINC000080923668 1032206791 /nfs/dbraw/zinc/20/67/91/1032206791.db2.gz IKJIDYJHWRCKJG-LLVKDONJSA-N 1 2 336.794 3.644 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923668 1032206809 /nfs/dbraw/zinc/20/68/09/1032206809.db2.gz IKJIDYJHWRCKJG-LLVKDONJSA-N 1 2 336.794 3.644 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)c1ncnn1C ZINC000459492821 1032214687 /nfs/dbraw/zinc/21/46/87/1032214687.db2.gz GEQFZBWZFNWYCI-OAHLLOKOSA-N 1 2 336.439 3.650 20 0 EHADLO Cc1nc(N2CCC(Oc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000184038061 1032227761 /nfs/dbraw/zinc/22/77/61/1032227761.db2.gz HNYJAHTYPQAJLV-UHFFFAOYSA-N 1 2 348.244 3.595 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cccc(OCC(F)(F)F)c2)[nH+]1 ZINC000080956694 1032229289 /nfs/dbraw/zinc/22/92/89/1032229289.db2.gz FCRRWNNABATARM-UHFFFAOYSA-N 1 2 336.317 3.820 20 0 EHADLO C[NH+](C)C1(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)CC1 ZINC000611832094 1032244939 /nfs/dbraw/zinc/24/49/39/1032244939.db2.gz MVGAUKUYCNQOFT-UHFFFAOYSA-N 1 2 326.444 3.643 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(C(F)F)CC2)CCN1c1ccc(Cl)cc1F ZINC000528409662 1032250080 /nfs/dbraw/zinc/25/00/80/1032250080.db2.gz XNMDNUJFHNNBCA-AWEZNQCLSA-N 1 2 346.780 3.562 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000184180858 1032262374 /nfs/dbraw/zinc/26/23/74/1032262374.db2.gz XXYNSSABFBEPLT-YPMHNXCESA-N 1 2 335.860 3.561 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000568752559 1032268147 /nfs/dbraw/zinc/26/81/47/1032268147.db2.gz RDUQOGRCUNKCKP-CRAIPNDOSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)CCCc2cccnc2)c(C)[nH+]1 ZINC000459583375 1032283763 /nfs/dbraw/zinc/28/37/63/1032283763.db2.gz PETDSALCWSGEBR-CQSZACIVSA-N 1 2 326.444 3.935 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC3CC(F)(F)C3)n2)C1 ZINC000449184778 1032302884 /nfs/dbraw/zinc/30/28/84/1032302884.db2.gz AGPPBRIBBWOPBI-LLVKDONJSA-N 1 2 343.443 3.749 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3CC(F)(F)C3)n2)C1 ZINC000449184778 1032302896 /nfs/dbraw/zinc/30/28/96/1032302896.db2.gz AGPPBRIBBWOPBI-LLVKDONJSA-N 1 2 343.443 3.749 20 0 EHADLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C)cc1Cl ZINC000459580311 1032305143 /nfs/dbraw/zinc/30/51/43/1032305143.db2.gz PBDDWUBTMUTGAQ-UHFFFAOYSA-N 1 2 335.879 3.647 20 0 EHADLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C)cc1Cl ZINC000459580311 1032305156 /nfs/dbraw/zinc/30/51/56/1032305156.db2.gz PBDDWUBTMUTGAQ-UHFFFAOYSA-N 1 2 335.879 3.647 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(F)cc3F)on2)cnn1C ZINC000184712811 1032319463 /nfs/dbraw/zinc/31/94/63/1032319463.db2.gz ABSFNPAARGZBFK-SNVBAGLBSA-N 1 2 332.354 3.513 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000536843377 1032336381 /nfs/dbraw/zinc/33/63/81/1032336381.db2.gz DYEYHGQZLQZOJL-JKSUJKDBSA-N 1 2 336.439 3.996 20 0 EHADLO Clc1cc(CN2CC[NH+](Cc3cccnc3)CC2)c(Cl)s1 ZINC000449226122 1032343738 /nfs/dbraw/zinc/34/37/38/1032343738.db2.gz LYOQOJFQPOTKLV-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)c(Cl)c1 ZINC000459631615 1032346723 /nfs/dbraw/zinc/34/67/23/1032346723.db2.gz IQANFAXXEHJOLC-LLVKDONJSA-N 1 2 349.887 3.883 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000278752425 1032351974 /nfs/dbraw/zinc/35/19/74/1032351974.db2.gz NHATZQHYQYMAJK-UHFFFAOYSA-N 1 2 336.407 3.817 20 0 EHADLO C/C=C(\C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000081749072 1032361400 /nfs/dbraw/zinc/36/14/00/1032361400.db2.gz WLXDOVPGHPYLJT-HAVNEIBRSA-N 1 2 341.455 3.667 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185281716 1032376267 /nfs/dbraw/zinc/37/62/67/1032376267.db2.gz ROHLFOZLIFBMRI-MRXNPFEDSA-N 1 2 343.858 3.505 20 0 EHADLO COCC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000449245447 1032381141 /nfs/dbraw/zinc/38/11/41/1032381141.db2.gz AXEBXHIIFKQJJY-CTWPCTMYSA-N 1 2 347.499 3.734 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000459662922 1032388867 /nfs/dbraw/zinc/38/88/67/1032388867.db2.gz CRIKEVHGOYZROG-OAHLLOKOSA-N 1 2 336.439 3.650 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)sc1Br ZINC000459679718 1032406965 /nfs/dbraw/zinc/40/69/65/1032406965.db2.gz PMYYEUPVDWKTEH-UHFFFAOYSA-N 1 2 343.294 3.524 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000459697606 1032422215 /nfs/dbraw/zinc/42/22/15/1032422215.db2.gz IGDVPNUFINPMML-UHFFFAOYSA-N 1 2 346.475 3.580 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccnc2ccncc21)c1c(F)cccc1F ZINC000085687065 1032466817 /nfs/dbraw/zinc/46/68/17/1032466817.db2.gz JNONAUJWDOPJDX-KRWDZBQOSA-N 1 2 328.366 3.623 20 0 EHADLO Cc1nnc(C[N@H+](Cc2cccc(C(F)(F)F)c2)CC(C)C)n1C ZINC000528604936 1032490480 /nfs/dbraw/zinc/49/04/80/1032490480.db2.gz IJHXGZPBJZDWCD-UHFFFAOYSA-N 1 2 340.393 3.801 20 0 EHADLO Cc1nnc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC(C)C)n1C ZINC000528604936 1032490485 /nfs/dbraw/zinc/49/04/85/1032490485.db2.gz IJHXGZPBJZDWCD-UHFFFAOYSA-N 1 2 340.393 3.801 20 0 EHADLO CN(C[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1)C(=O)OC(C)(C)C ZINC000255067441 1017309556 /nfs/dbraw/zinc/30/95/56/1017309556.db2.gz WRNSPHAJAFHZRL-OXBCTQFSSA-N 1 2 337.291 3.884 20 0 EHADLO CN(C[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1)C(=O)OC(C)(C)C ZINC000255067441 1017309563 /nfs/dbraw/zinc/30/95/63/1017309563.db2.gz WRNSPHAJAFHZRL-OXBCTQFSSA-N 1 2 337.291 3.884 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC34CC4)CC2)s1 ZINC000528628882 1032525255 /nfs/dbraw/zinc/52/52/55/1032525255.db2.gz WUZFMDVVZWMRME-QGZVFWFLSA-N 1 2 332.513 3.535 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000459915309 1032525910 /nfs/dbraw/zinc/52/59/10/1032525910.db2.gz AUZAUJSMLPXBJF-SJKOYZFVSA-N 1 2 330.453 3.957 20 0 EHADLO Cc1cc(Br)cn2c(CN[C@H](C)C(C)(F)F)c[nH+]c12 ZINC000449412526 1032535982 /nfs/dbraw/zinc/53/59/82/1032535982.db2.gz FZSUBWXLWOUGRV-SECBINFHSA-N 1 2 332.192 3.539 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431704 1032546967 /nfs/dbraw/zinc/54/69/67/1032546967.db2.gz ZDAXCXZJEYPCJD-APWZRJJASA-N 1 2 349.833 3.649 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431704 1032546972 /nfs/dbraw/zinc/54/69/72/1032546972.db2.gz ZDAXCXZJEYPCJD-APWZRJJASA-N 1 2 349.833 3.649 20 0 EHADLO CN(c1nc(C[NH2+][C@H](c2ccccn2)C2CCC2)cs1)C1CC1 ZINC000528661766 1032548114 /nfs/dbraw/zinc/54/81/14/1032548114.db2.gz WRMLUYALLVOVLA-KRWDZBQOSA-N 1 2 328.485 3.768 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000528662128 1032548178 /nfs/dbraw/zinc/54/81/78/1032548178.db2.gz XCUJETLHALTGRP-FZKQIMNGSA-N 1 2 334.423 3.922 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000528662134 1032548585 /nfs/dbraw/zinc/54/85/85/1032548585.db2.gz XCUJETLHALTGRP-UGSOOPFHSA-N 1 2 334.423 3.922 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089971197 1032549678 /nfs/dbraw/zinc/54/96/78/1032549678.db2.gz QWCVDPGHPOWJKS-SECBINFHSA-N 1 2 325.733 3.929 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1nc(-c2ccncc2)cs1 ZINC000537193642 1032553643 /nfs/dbraw/zinc/55/36/43/1032553643.db2.gz UNRCLXGZFKBCDF-LRDDRELGSA-N 1 2 339.468 3.741 20 0 EHADLO C[C@@H]1CCC[C@H](C)C1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000081478491 1032558698 /nfs/dbraw/zinc/55/86/98/1032558698.db2.gz CYDDKIOAWFXULL-MCPYQZEQSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(Nc1ccc(Cl)cc1-n1cccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152206588 1032606444 /nfs/dbraw/zinc/60/64/44/1032606444.db2.gz FJIGMJPBGFPKDJ-ZDUSSCGKSA-N 1 2 340.814 3.528 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccccc1OCCC(C)C ZINC000537306750 1032610915 /nfs/dbraw/zinc/61/09/15/1032610915.db2.gz RTCRYPOOJJNBAZ-UHFFFAOYSA-N 1 2 331.412 3.781 20 0 EHADLO CC(C)(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000606369750 1032656676 /nfs/dbraw/zinc/65/66/76/1032656676.db2.gz KGJAFVZZVZFEHH-AWEZNQCLSA-N 1 2 338.442 3.872 20 0 EHADLO CC(C)(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000606369750 1032656679 /nfs/dbraw/zinc/65/66/79/1032656679.db2.gz KGJAFVZZVZFEHH-AWEZNQCLSA-N 1 2 338.442 3.872 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)nn1 ZINC000449498406 1032669622 /nfs/dbraw/zinc/66/96/22/1032669622.db2.gz KMBRQYZEWYHDEJ-CQSZACIVSA-N 1 2 349.276 3.611 20 0 EHADLO CC(C)n1cc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)nn1 ZINC000449498406 1032669632 /nfs/dbraw/zinc/66/96/32/1032669632.db2.gz KMBRQYZEWYHDEJ-CQSZACIVSA-N 1 2 349.276 3.611 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000685309385 1032675069 /nfs/dbraw/zinc/67/50/69/1032675069.db2.gz LBVHMYLHGIMEMQ-INMHGKMJSA-N 1 2 345.393 3.556 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)nc1 ZINC000088535052 1017121746 /nfs/dbraw/zinc/12/17/46/1017121746.db2.gz APJLEVJUHXNWLQ-KUHUBIRLSA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)nc1 ZINC000088535052 1017121754 /nfs/dbraw/zinc/12/17/54/1017121754.db2.gz APJLEVJUHXNWLQ-KUHUBIRLSA-N 1 2 330.403 3.581 20 0 EHADLO Cc1cc(NC(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)c(C)c[nH+]1 ZINC000580259949 1017133378 /nfs/dbraw/zinc/13/33/78/1017133378.db2.gz SMZRNGQPOKJWHK-QGZVFWFLSA-N 1 2 332.831 3.816 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+]Cc2c(Cl)cccc2Cl)s1 ZINC000892738044 1017279628 /nfs/dbraw/zinc/27/96/28/1017279628.db2.gz AZSGTVYTBLDMDV-UHFFFAOYSA-N 1 2 345.251 3.916 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000408033290 1017283647 /nfs/dbraw/zinc/28/36/47/1017283647.db2.gz KCKBXVCUQRIMAJ-VKJFTORMSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1nnc(-c2cc(F)ccc2NCc2c[nH+]c3ccc(C)cn23)o1 ZINC000377076308 1017316440 /nfs/dbraw/zinc/31/64/40/1017316440.db2.gz FRYANYYSNYYRRZ-UHFFFAOYSA-N 1 2 337.358 3.752 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450501 1032693775 /nfs/dbraw/zinc/69/37/75/1032693775.db2.gz CZHTUDAVIIXOOW-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450501 1032693782 /nfs/dbraw/zinc/69/37/82/1032693782.db2.gz CZHTUDAVIIXOOW-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](c1ccncc1)C1CC1 ZINC000890910111 1017328618 /nfs/dbraw/zinc/32/86/18/1017328618.db2.gz VRTOGHPCFNDMNM-QUCCMNQESA-N 1 2 346.434 3.594 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c(C)c1 ZINC000574088377 1032696555 /nfs/dbraw/zinc/69/65/55/1032696555.db2.gz ZOEFOMNILBPBSM-OAHLLOKOSA-N 1 2 327.428 3.956 20 0 EHADLO COCc1cc[nH+]c(NCc2c(F)cccc2OC(F)(F)F)c1 ZINC000650243861 1017452354 /nfs/dbraw/zinc/45/23/54/1017452354.db2.gz RZSAIPGVDSEPOB-UHFFFAOYSA-N 1 2 330.281 3.878 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(C(F)(F)F)c1 ZINC000892801694 1017467158 /nfs/dbraw/zinc/46/71/58/1017467158.db2.gz PYFPHRAEEZFYRV-UHFFFAOYSA-N 1 2 343.374 3.733 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528733094 1032704565 /nfs/dbraw/zinc/70/45/65/1032704565.db2.gz UPLCZSNMBUCUCO-IBGZPJMESA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528733094 1032704554 /nfs/dbraw/zinc/70/45/54/1032704554.db2.gz UPLCZSNMBUCUCO-IBGZPJMESA-N 1 2 327.428 3.553 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000172799028 1017503664 /nfs/dbraw/zinc/50/36/64/1017503664.db2.gz PDTZHPITYAVCSU-HNNXBMFYSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000172799028 1017503675 /nfs/dbraw/zinc/50/36/75/1017503675.db2.gz PDTZHPITYAVCSU-HNNXBMFYSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1cccn2cc(Cc3nc(Cc4ccc5c(c4)CCC5)no3)[nH+]c12 ZINC000683582167 1017511775 /nfs/dbraw/zinc/51/17/75/1017511775.db2.gz IXBXUQDCMKXCMV-UHFFFAOYSA-N 1 2 344.418 3.696 20 0 EHADLO O[C@H](C[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179800 1017536584 /nfs/dbraw/zinc/53/65/84/1017536584.db2.gz CNWNDVJSEOTRND-QWHCGFSZSA-N 1 2 325.733 3.524 20 0 EHADLO O[C@H](C[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179800 1017536593 /nfs/dbraw/zinc/53/65/93/1017536593.db2.gz CNWNDVJSEOTRND-QWHCGFSZSA-N 1 2 325.733 3.524 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736233 1032708522 /nfs/dbraw/zinc/70/85/22/1032708522.db2.gz DEVUALWWDBISRU-UHFFFAOYSA-N 1 2 333.357 3.931 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736233 1032708539 /nfs/dbraw/zinc/70/85/39/1032708539.db2.gz DEVUALWWDBISRU-UHFFFAOYSA-N 1 2 333.357 3.931 20 0 EHADLO CC(C)c1nsc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000091628962 1032711666 /nfs/dbraw/zinc/71/16/66/1032711666.db2.gz VSHDZCBVDUDNMR-CYBMUJFWSA-N 1 2 334.464 3.684 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@H]3CCCn4ccnc43)n2)cc1 ZINC000655792797 1017622625 /nfs/dbraw/zinc/62/26/25/1017622625.db2.gz QCASSPWBGVPIBY-KRWDZBQOSA-N 1 2 338.386 3.834 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795045 1017627147 /nfs/dbraw/zinc/62/71/47/1017627147.db2.gz VQUTVFYQDOLGBM-HOCLYGCPSA-N 1 2 334.851 3.797 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000655795421 1017628770 /nfs/dbraw/zinc/62/87/70/1017628770.db2.gz BKUFNVDORMQMTL-ROUUACIJSA-N 1 2 340.471 3.947 20 0 EHADLO CSc1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000655796973 1017635947 /nfs/dbraw/zinc/63/59/47/1017635947.db2.gz LEKAEXNHIXGVBQ-CVEARBPZSA-N 1 2 344.484 3.545 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)c2ccccc21 ZINC000655798096 1017638443 /nfs/dbraw/zinc/63/84/43/1017638443.db2.gz WZFSIWDTILNPSH-SJKOYZFVSA-N 1 2 340.402 3.799 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(C2CC2)c1 ZINC000574155290 1032714576 /nfs/dbraw/zinc/71/45/76/1032714576.db2.gz AFFZSHPRGQTAGY-KSSFIOAISA-N 1 2 338.455 3.558 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000177399731 1017674197 /nfs/dbraw/zinc/67/41/97/1017674197.db2.gz MUBPITMCZDJGMH-NWDGAFQWSA-N 1 2 338.864 3.533 20 0 EHADLO O=C(CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1)c1ccc(F)cc1 ZINC000528740718 1032716177 /nfs/dbraw/zinc/71/61/77/1032716177.db2.gz HVVTVMYRFVFOBO-UHFFFAOYSA-N 1 2 339.414 3.514 20 0 EHADLO O=C(CCC[N@H+]1CCc2nc(C3CC3)ncc2C1)c1ccc(F)cc1 ZINC000528740718 1032716195 /nfs/dbraw/zinc/71/61/95/1032716195.db2.gz HVVTVMYRFVFOBO-UHFFFAOYSA-N 1 2 339.414 3.514 20 0 EHADLO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000275618101 1017760608 /nfs/dbraw/zinc/76/06/08/1017760608.db2.gz RJSMMYHMOYFGCW-BBWFWOEESA-N 1 2 349.425 3.589 20 0 EHADLO CCc1ncc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)s1 ZINC000091771978 1032724034 /nfs/dbraw/zinc/72/40/34/1032724034.db2.gz JXBMYDGOSQULKY-INIZCTEOSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1ncc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)s1 ZINC000091771978 1032724047 /nfs/dbraw/zinc/72/40/47/1032724047.db2.gz JXBMYDGOSQULKY-INIZCTEOSA-N 1 2 346.496 3.895 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547973801 1017837703 /nfs/dbraw/zinc/83/77/03/1017837703.db2.gz JFALMQWRAVDMRB-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547973801 1017837717 /nfs/dbraw/zinc/83/77/17/1017837717.db2.gz JFALMQWRAVDMRB-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000046980648 1017888032 /nfs/dbraw/zinc/88/80/32/1017888032.db2.gz MMEFZNUVQMSOCU-INIZCTEOSA-N 1 2 334.872 3.637 20 0 EHADLO CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000046980648 1017888046 /nfs/dbraw/zinc/88/80/46/1017888046.db2.gz MMEFZNUVQMSOCU-INIZCTEOSA-N 1 2 334.872 3.637 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(C)C)c1 ZINC001167322429 1018018747 /nfs/dbraw/zinc/01/87/47/1018018747.db2.gz VLIXUHZEGMYHES-YADHBBJMSA-N 1 2 344.543 3.964 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cc(Br)ccc2Cl)on1 ZINC000926884756 1018037576 /nfs/dbraw/zinc/03/75/76/1018037576.db2.gz JGKITEBFJKZRSU-QMMMGPOBSA-N 1 2 345.624 3.950 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C(C)C)c2C1 ZINC000545395491 1018050461 /nfs/dbraw/zinc/05/04/61/1018050461.db2.gz KOOYIZPNPIYPHQ-OAHLLOKOSA-N 1 2 339.483 3.635 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C(C)C)c2C1 ZINC000545395491 1018050472 /nfs/dbraw/zinc/05/04/72/1018050472.db2.gz KOOYIZPNPIYPHQ-OAHLLOKOSA-N 1 2 339.483 3.635 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C2CC2)o1 ZINC000377621079 1018080498 /nfs/dbraw/zinc/08/04/98/1018080498.db2.gz FTNWXQFNNAMVAY-KCXAZCMYSA-N 1 2 339.439 3.737 20 0 EHADLO CC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCOC(C)(C)C1 ZINC000580014680 1018111942 /nfs/dbraw/zinc/11/19/42/1018111942.db2.gz YMMKBAWAOLDLML-QGZVFWFLSA-N 1 2 343.471 3.748 20 0 EHADLO CC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCOC(C)(C)C1 ZINC000580014680 1018111947 /nfs/dbraw/zinc/11/19/47/1018111947.db2.gz YMMKBAWAOLDLML-QGZVFWFLSA-N 1 2 343.471 3.748 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1c(F)cccc1F ZINC000602272286 1032743145 /nfs/dbraw/zinc/74/31/45/1032743145.db2.gz PQVSBJFRRDFPLM-NHYWBVRUSA-N 1 2 334.341 3.560 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000580022796 1018141681 /nfs/dbraw/zinc/14/16/81/1018141681.db2.gz OGDNZQVAGIYNJN-LBPRGKRZSA-N 1 2 333.229 3.625 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)F)cc3F)n2)C1 ZINC000655998457 1018158727 /nfs/dbraw/zinc/15/87/27/1018158727.db2.gz YHTRVIFYLPPHRD-CYBMUJFWSA-N 1 2 341.333 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)F)cc3F)n2)C1 ZINC000655998457 1018158734 /nfs/dbraw/zinc/15/87/34/1018158734.db2.gz YHTRVIFYLPPHRD-CYBMUJFWSA-N 1 2 341.333 3.595 20 0 EHADLO CC1(c2ccccc2)CCC([NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000340523632 1018207650 /nfs/dbraw/zinc/20/76/50/1018207650.db2.gz HBIGSYAWBDFTBJ-SCCNAQOGSA-N 1 2 347.466 3.779 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757378 1032749738 /nfs/dbraw/zinc/74/97/38/1032749738.db2.gz ICIIZWQAMLSAGB-RBUKOAKNSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757378 1032749758 /nfs/dbraw/zinc/74/97/58/1032749758.db2.gz ICIIZWQAMLSAGB-RBUKOAKNSA-N 1 2 331.843 3.665 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cccc(Cl)c3C)[nH+]c12 ZINC000683744708 1018278994 /nfs/dbraw/zinc/27/89/94/1018278994.db2.gz JRWKZLNRSYUEKS-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO Cc1cn2cc(NC(=O)NCC(C)(C)c3cccs3)ccc2[nH+]1 ZINC000606570416 1032754637 /nfs/dbraw/zinc/75/46/37/1032754637.db2.gz RIPWWHQOFDUBBI-UHFFFAOYSA-N 1 2 328.441 3.804 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC(F)F)c1 ZINC000460676557 1018305944 /nfs/dbraw/zinc/30/59/44/1018305944.db2.gz YVXYTZDOUBSCJH-UHFFFAOYSA-N 1 2 347.365 3.700 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001143499887 1018327497 /nfs/dbraw/zinc/32/74/97/1018327497.db2.gz SULFGANPWMSGAG-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001143499887 1018327506 /nfs/dbraw/zinc/32/75/06/1018327506.db2.gz SULFGANPWMSGAG-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCn2c[nH+]cc2C1 ZINC000377781214 1018362885 /nfs/dbraw/zinc/36/28/85/1018362885.db2.gz OUXZRNNKCWODNV-UHFFFAOYSA-N 1 2 330.391 3.502 20 0 EHADLO C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000275727737 1018366254 /nfs/dbraw/zinc/36/62/54/1018366254.db2.gz VFZOWGRUNCGBSL-JSGCOSHPSA-N 1 2 343.402 3.591 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377788481 1018371763 /nfs/dbraw/zinc/37/17/63/1018371763.db2.gz WYIVNCDUGDFGGA-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377788481 1018371770 /nfs/dbraw/zinc/37/17/70/1018371770.db2.gz WYIVNCDUGDFGGA-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651075447 1018396997 /nfs/dbraw/zinc/39/69/97/1018396997.db2.gz VCVBSDXPQCYIHX-CYBMUJFWSA-N 1 2 331.847 3.635 20 0 EHADLO COc1nccc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c1F ZINC001204632666 1018401045 /nfs/dbraw/zinc/40/10/45/1018401045.db2.gz LVCVMPDUXABMQY-UHFFFAOYSA-N 1 2 344.308 3.760 20 0 EHADLO COc1nccc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c1F ZINC001204632666 1018401052 /nfs/dbraw/zinc/40/10/52/1018401052.db2.gz LVCVMPDUXABMQY-UHFFFAOYSA-N 1 2 344.308 3.760 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2cnccc2c1)c1cccc(F)c1 ZINC000683765244 1018405267 /nfs/dbraw/zinc/40/52/67/1018405267.db2.gz HREWRILHJNRVEO-HXUWFJFHSA-N 1 2 346.409 3.987 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3cnc(CC(F)(F)F)s3)nc2c1 ZINC000893089699 1018420629 /nfs/dbraw/zinc/42/06/29/1018420629.db2.gz IQJRGGMABFHNLS-UHFFFAOYSA-N 1 2 340.374 3.722 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)[nH]c2c1 ZINC000893089699 1018420639 /nfs/dbraw/zinc/42/06/39/1018420639.db2.gz IQJRGGMABFHNLS-UHFFFAOYSA-N 1 2 340.374 3.722 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000606582208 1032766891 /nfs/dbraw/zinc/76/68/91/1032766891.db2.gz HDTILOIWNAQXJO-SFHVURJKSA-N 1 2 334.423 3.963 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1C ZINC000606582529 1032767321 /nfs/dbraw/zinc/76/73/21/1032767321.db2.gz SPBHCYZSXJDXPO-UHFFFAOYSA-N 1 2 338.411 3.624 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606583034 1032767545 /nfs/dbraw/zinc/76/75/45/1032767545.db2.gz MUTUUDNNRMEVIA-QGZVFWFLSA-N 1 2 336.395 3.712 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)n1cc[nH+]c1 ZINC000651125801 1018493241 /nfs/dbraw/zinc/49/32/41/1018493241.db2.gz XURVIFKJBZIGCH-RDJZCZTQSA-N 1 2 336.439 3.722 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000343850027 1018494630 /nfs/dbraw/zinc/49/46/30/1018494630.db2.gz FKVRZEIYXNQVLH-XMMPIXPASA-N 1 2 346.402 3.737 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccc3ccccc3c2)c1 ZINC000584540674 1018523422 /nfs/dbraw/zinc/52/34/22/1018523422.db2.gz HRBLRLWXTUYYID-OAQYLSRUSA-N 1 2 330.431 3.821 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccc3ccccc3c2)c1 ZINC000584540674 1018523435 /nfs/dbraw/zinc/52/34/35/1018523435.db2.gz HRBLRLWXTUYYID-OAQYLSRUSA-N 1 2 330.431 3.821 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000606583752 1032770134 /nfs/dbraw/zinc/77/01/34/1032770134.db2.gz MNOAEFDWXDUQNB-UHFFFAOYSA-N 1 2 342.349 3.809 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766157 1032770966 /nfs/dbraw/zinc/77/09/66/1032770966.db2.gz CZJJIJZMIXWJPZ-YGRLFVJLSA-N 1 2 346.780 3.704 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766157 1032770975 /nfs/dbraw/zinc/77/09/75/1032770975.db2.gz CZJJIJZMIXWJPZ-YGRLFVJLSA-N 1 2 346.780 3.704 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000340573825 1018558284 /nfs/dbraw/zinc/55/82/84/1018558284.db2.gz HAYPGBSNZSQXRW-GOSISDBHSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000340573825 1018558294 /nfs/dbraw/zinc/55/82/94/1018558294.db2.gz HAYPGBSNZSQXRW-GOSISDBHSA-N 1 2 327.449 3.595 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1Oc1ccncc1 ZINC000683794947 1018592687 /nfs/dbraw/zinc/59/26/87/1018592687.db2.gz UVNHGOLDLBVOPW-UHFFFAOYSA-N 1 2 336.395 3.798 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+](C)C[C@H]3CCCO3)o2)cc1 ZINC000052103092 1018760771 /nfs/dbraw/zinc/76/07/71/1018760771.db2.gz JWWPPBWAIIUZLU-QGZVFWFLSA-N 1 2 345.443 3.526 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)C[C@H]3CCCO3)o2)cc1 ZINC000052103092 1018760784 /nfs/dbraw/zinc/76/07/84/1018760784.db2.gz JWWPPBWAIIUZLU-QGZVFWFLSA-N 1 2 345.443 3.526 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222682 1018824654 /nfs/dbraw/zinc/82/46/54/1018824654.db2.gz WRCQPVRLUABICF-CMPLNLGQSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222682 1018824676 /nfs/dbraw/zinc/82/46/76/1018824676.db2.gz WRCQPVRLUABICF-CMPLNLGQSA-N 1 2 333.234 3.605 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F)c1ccccc1 ZINC000513070296 1018890095 /nfs/dbraw/zinc/89/00/95/1018890095.db2.gz RNTWNLZFBWKYIN-GOSISDBHSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F)c1ccccc1 ZINC000513070296 1018890111 /nfs/dbraw/zinc/89/01/11/1018890111.db2.gz RNTWNLZFBWKYIN-GOSISDBHSA-N 1 2 344.405 3.749 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1F ZINC000580268882 1018895476 /nfs/dbraw/zinc/89/54/76/1018895476.db2.gz VVPHKENOLSBLKR-HXUWFJFHSA-N 1 2 329.415 3.972 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1F ZINC000580268882 1018895496 /nfs/dbraw/zinc/89/54/96/1018895496.db2.gz VVPHKENOLSBLKR-HXUWFJFHSA-N 1 2 329.415 3.972 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cscc1C(F)F ZINC000897566411 1032797686 /nfs/dbraw/zinc/79/76/86/1032797686.db2.gz OEAPWQUEYJPUBY-UHFFFAOYSA-N 1 2 341.427 3.997 20 0 EHADLO CO[C@@H](CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)[C@H]1CCOC1 ZINC000664158571 1019106918 /nfs/dbraw/zinc/10/69/18/1019106918.db2.gz VOKQCWAYPXCZOP-WFASDCNBSA-N 1 2 340.345 3.717 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cs1 ZINC000340659968 1019130995 /nfs/dbraw/zinc/13/09/95/1019130995.db2.gz GAHGETHJKTVNDQ-CYBMUJFWSA-N 1 2 335.904 3.984 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(Cl)s1 ZINC000052804361 1019265509 /nfs/dbraw/zinc/26/55/09/1019265509.db2.gz MXHWGSWSJXLSHG-ZDUSSCGKSA-N 1 2 340.901 3.916 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(Cl)s1 ZINC000052804361 1019265526 /nfs/dbraw/zinc/26/55/26/1019265526.db2.gz MXHWGSWSJXLSHG-ZDUSSCGKSA-N 1 2 340.901 3.916 20 0 EHADLO c1n[nH]c([C@H]([NH2+]C[C@@H]2CSc3ccccc32)C2CCCCC2)n1 ZINC000580399010 1019272361 /nfs/dbraw/zinc/27/23/61/1019272361.db2.gz YQLSIZLRIYWGRJ-RHSMWYFYSA-N 1 2 328.485 3.905 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000683927750 1019300773 /nfs/dbraw/zinc/30/07/73/1019300773.db2.gz WAUSFFROLZFBOG-SSDOTTSWSA-N 1 2 342.346 3.595 20 0 EHADLO COCc1cncc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001211074088 1019377236 /nfs/dbraw/zinc/37/72/36/1019377236.db2.gz DXKBHAIHRZEWAF-UHFFFAOYSA-N 1 2 330.388 3.714 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449572666 1032830293 /nfs/dbraw/zinc/83/02/93/1032830293.db2.gz NUFJXCBBGJQCOR-SGTLLEGYSA-N 1 2 339.418 3.620 20 0 EHADLO O=C(c1ccsc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614480479 1019482608 /nfs/dbraw/zinc/48/26/08/1019482608.db2.gz AVYAKMLVWLZRHF-GFCCVEGCSA-N 1 2 349.887 3.954 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000891291283 1019519012 /nfs/dbraw/zinc/51/90/12/1019519012.db2.gz IDYZOXKEAYLXIQ-MRXNPFEDSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000891291283 1019519019 /nfs/dbraw/zinc/51/90/19/1019519019.db2.gz IDYZOXKEAYLXIQ-MRXNPFEDSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(C)c2Br)c[nH+]1 ZINC000397001736 1032838205 /nfs/dbraw/zinc/83/82/05/1032838205.db2.gz FJVJYZWARUKWCQ-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000683969230 1019547923 /nfs/dbraw/zinc/54/79/23/1019547923.db2.gz GMHYJXNHTGIJRK-OAHLLOKOSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)N(C)C)c(Cl)c3)n2c1 ZINC000340714202 1019582107 /nfs/dbraw/zinc/58/21/07/1019582107.db2.gz RZPZRHMYKOJLPG-UHFFFAOYSA-N 1 2 342.830 3.610 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)/C=C\c3cc4ccccc4o3)sc2C1 ZINC000255580776 1019592842 /nfs/dbraw/zinc/59/28/42/1019592842.db2.gz SNRKMCMYUJVWIQ-SREVYHEPSA-N 1 2 339.420 3.529 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)/C=C\c3cc4ccccc4o3)sc2C1 ZINC000255580776 1019592855 /nfs/dbraw/zinc/59/28/55/1019592855.db2.gz SNRKMCMYUJVWIQ-SREVYHEPSA-N 1 2 339.420 3.529 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000683981434 1019598107 /nfs/dbraw/zinc/59/81/07/1019598107.db2.gz KPIUHTOHVAOJQE-QZTJIDSGSA-N 1 2 331.460 3.603 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCN(C)c2ccccc2)n1 ZINC000580546767 1019601841 /nfs/dbraw/zinc/60/18/41/1019601841.db2.gz GIBNABJULHEYOT-HNNXBMFYSA-N 1 2 348.516 3.842 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCN(C)c2ccccc2)n1 ZINC000580546767 1019601865 /nfs/dbraw/zinc/60/18/65/1019601865.db2.gz GIBNABJULHEYOT-HNNXBMFYSA-N 1 2 348.516 3.842 20 0 EHADLO COc1ccc(C[NH+]2CCN([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000513411012 1019615710 /nfs/dbraw/zinc/61/57/10/1019615710.db2.gz IURPPBRDWWGDPX-KRWDZBQOSA-N 1 2 340.467 3.583 20 0 EHADLO C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309433 1032842783 /nfs/dbraw/zinc/84/27/83/1032842783.db2.gz CCBQSHLVEJSYDT-CHWSQXEVSA-N 1 2 347.488 3.586 20 0 EHADLO C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309433 1032842801 /nfs/dbraw/zinc/84/28/01/1032842801.db2.gz CCBQSHLVEJSYDT-CHWSQXEVSA-N 1 2 347.488 3.586 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)s1 ZINC000639391395 1019718931 /nfs/dbraw/zinc/71/89/31/1019718931.db2.gz BUIVCOWQEDPASS-AWEZNQCLSA-N 1 2 327.515 3.554 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)s1 ZINC000639391395 1019718945 /nfs/dbraw/zinc/71/89/45/1019718945.db2.gz BUIVCOWQEDPASS-AWEZNQCLSA-N 1 2 327.515 3.554 20 0 EHADLO c1c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)nn2c1CCCC2 ZINC000656262454 1019761783 /nfs/dbraw/zinc/76/17/83/1019761783.db2.gz VYLGPVOJXIHVKK-UHFFFAOYSA-N 1 2 346.478 3.859 20 0 EHADLO c1c(C[N@H+](CCc2ccccc2)Cc2ccncc2)nn2c1CCCC2 ZINC000656262454 1019761801 /nfs/dbraw/zinc/76/18/01/1019761801.db2.gz VYLGPVOJXIHVKK-UHFFFAOYSA-N 1 2 346.478 3.859 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[NH+]2CC3(CC3(F)F)C2)s1 ZINC000656265278 1019787993 /nfs/dbraw/zinc/78/79/93/1019787993.db2.gz GPRDRBJYMBNSBV-UHFFFAOYSA-N 1 2 328.334 3.929 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)Nc1ccc(F)cc1OCC1CC1 ZINC000607213905 1019790914 /nfs/dbraw/zinc/79/09/14/1019790914.db2.gz ZVWITLRWBJPTTN-UHFFFAOYSA-N 1 2 340.358 3.906 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000122984040 1019810571 /nfs/dbraw/zinc/81/05/71/1019810571.db2.gz XQUYMXBMEOYESU-QWRGUYRKSA-N 1 2 329.425 3.617 20 0 EHADLO COc1ccc(-c2nc(C)c(C(=O)Nc3cc[nH+]c(C)c3)s2)cc1 ZINC000684038953 1019924782 /nfs/dbraw/zinc/92/47/82/1019924782.db2.gz NPACKEWNOPNPGH-UHFFFAOYSA-N 1 2 339.420 3.505 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000469119984 1019928028 /nfs/dbraw/zinc/92/80/28/1019928028.db2.gz SZTNQXSFUCPRLR-MOPGFXCFSA-N 1 2 342.414 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000050449376 1019929938 /nfs/dbraw/zinc/92/99/38/1019929938.db2.gz ARCAYYTWOWDDEN-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H](C)c2ccc(F)cc2)c1C ZINC000050447698 1019930507 /nfs/dbraw/zinc/93/05/07/1019930507.db2.gz FNOXXCDQQUMOJH-LBPRGKRZSA-N 1 2 330.403 3.656 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000340767889 1019958201 /nfs/dbraw/zinc/95/82/01/1019958201.db2.gz IMRDPFWFZHBPDQ-KRWDZBQOSA-N 1 2 339.826 3.902 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000255777782 1020027438 /nfs/dbraw/zinc/02/74/38/1020027438.db2.gz SLUOQBOCNWIRQJ-SIEMBAAWSA-N 1 2 349.478 3.699 20 0 EHADLO Cc1cn2cc(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)ccc2[nH+]1 ZINC000345247482 1020094775 /nfs/dbraw/zinc/09/47/75/1020094775.db2.gz JMRCQFFRTZKRSJ-LBPRGKRZSA-N 1 2 339.370 3.629 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cnn1C(C)(C)C ZINC000345279872 1020107889 /nfs/dbraw/zinc/10/78/89/1020107889.db2.gz VDGDKIHENNEDTJ-OAHLLOKOSA-N 1 2 337.471 3.983 20 0 EHADLO CC[N@@H+]1CCO[C@H](CN[C@@H](C)c2csc(C)n2)[C@H]1c1ccccc1 ZINC000345327599 1020173974 /nfs/dbraw/zinc/17/39/74/1020173974.db2.gz JAZXBSHHOSHMII-GDIGMMSISA-N 1 2 345.512 3.564 20 0 EHADLO CC[N@H+]1CCO[C@H](CN[C@@H](C)c2csc(C)n2)[C@H]1c1ccccc1 ZINC000345327599 1020173981 /nfs/dbraw/zinc/17/39/81/1020173981.db2.gz JAZXBSHHOSHMII-GDIGMMSISA-N 1 2 345.512 3.564 20 0 EHADLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000280223219 1020206869 /nfs/dbraw/zinc/20/68/69/1020206869.db2.gz HHGNCPXGLGSBHZ-SJORKVTESA-N 1 2 348.393 3.856 20 0 EHADLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000280223219 1020206880 /nfs/dbraw/zinc/20/68/80/1020206880.db2.gz HHGNCPXGLGSBHZ-SJORKVTESA-N 1 2 348.393 3.856 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000292027479 1020211259 /nfs/dbraw/zinc/21/12/59/1020211259.db2.gz PUVJKVXAOHCQCK-IBGZPJMESA-N 1 2 334.423 3.620 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000580915820 1020233644 /nfs/dbraw/zinc/23/36/44/1020233644.db2.gz FFUFTMRMBYIFMS-UHFFFAOYSA-N 1 2 349.837 3.616 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000580915820 1020233651 /nfs/dbraw/zinc/23/36/51/1020233651.db2.gz FFUFTMRMBYIFMS-UHFFFAOYSA-N 1 2 349.837 3.616 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000093224512 1032886405 /nfs/dbraw/zinc/88/64/05/1032886405.db2.gz RACSHPIOBUIWJS-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000093224512 1032886417 /nfs/dbraw/zinc/88/64/17/1032886417.db2.gz RACSHPIOBUIWJS-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)n1C ZINC000602437266 1032887973 /nfs/dbraw/zinc/88/79/73/1032887973.db2.gz SJYQCFOVCXIXOK-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)n1C ZINC000602437266 1032887989 /nfs/dbraw/zinc/88/79/89/1032887989.db2.gz SJYQCFOVCXIXOK-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)n1C ZINC000602437268 1032888994 /nfs/dbraw/zinc/88/89/94/1032888994.db2.gz SJYQCFOVCXIXOK-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)n1C ZINC000602437268 1032889008 /nfs/dbraw/zinc/88/90/08/1032889008.db2.gz SJYQCFOVCXIXOK-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000255239258 1020289780 /nfs/dbraw/zinc/28/97/80/1020289780.db2.gz DHJWQIAEDWPNMY-LCYFTJDESA-N 1 2 325.799 3.707 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)nc2ccccc12 ZINC000280325765 1020292765 /nfs/dbraw/zinc/29/27/65/1020292765.db2.gz GYDLEYQDMUFWOR-KUHUBIRLSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)nc2ccccc12 ZINC000280325765 1020292773 /nfs/dbraw/zinc/29/27/73/1020292773.db2.gz GYDLEYQDMUFWOR-KUHUBIRLSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000345588144 1020378738 /nfs/dbraw/zinc/37/87/38/1020378738.db2.gz LWMHUNYIKRVLDZ-UHFFFAOYSA-N 1 2 341.455 3.511 20 0 EHADLO C/C(=C/c1ccc(C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000588397602 1020446912 /nfs/dbraw/zinc/44/69/12/1020446912.db2.gz CPPVOCPBUDLZJR-LGMDPLHJSA-N 1 2 335.451 3.710 20 0 EHADLO CC(C)([NH2+]Cc1ccc(C(F)F)nc1)c1cn(-c2ccccc2)nn1 ZINC000631087698 1020450248 /nfs/dbraw/zinc/45/02/48/1020450248.db2.gz CQRWFCIKSSSQNL-UHFFFAOYSA-N 1 2 343.381 3.625 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141556 1020471652 /nfs/dbraw/zinc/47/16/52/1020471652.db2.gz YTDXXESBNNGQIK-VXGBXAGGSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141556 1020471656 /nfs/dbraw/zinc/47/16/56/1020471656.db2.gz YTDXXESBNNGQIK-VXGBXAGGSA-N 1 2 339.361 3.827 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340881964 1020532872 /nfs/dbraw/zinc/53/28/72/1020532872.db2.gz VTNVATGEHCHGPR-QAPCUYQASA-N 1 2 349.434 3.818 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)C1CCCCC1 ZINC000476127449 1032910758 /nfs/dbraw/zinc/91/07/58/1032910758.db2.gz BACCSSRYOFAUPH-LLVKDONJSA-N 1 2 335.398 3.708 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)cs1 ZINC000419406402 1020638786 /nfs/dbraw/zinc/63/87/86/1020638786.db2.gz WSOBESXJKHHYEV-GOEBONIOSA-N 1 2 347.484 3.597 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)cs1 ZINC000419406402 1020638789 /nfs/dbraw/zinc/63/87/89/1020638789.db2.gz WSOBESXJKHHYEV-GOEBONIOSA-N 1 2 347.484 3.597 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3sc(Br)cc3C2)C1 ZINC000656474856 1020688610 /nfs/dbraw/zinc/68/86/10/1020688610.db2.gz OLPTVYWDPKPTTC-UHFFFAOYSA-N 1 2 330.291 3.825 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3sc(Br)cc3C2)C1 ZINC000656474856 1020688621 /nfs/dbraw/zinc/68/86/21/1020688621.db2.gz OLPTVYWDPKPTTC-UHFFFAOYSA-N 1 2 330.291 3.825 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)coc2c1 ZINC000069390132 1020777417 /nfs/dbraw/zinc/77/74/17/1020777417.db2.gz WXWOUWVRUHTJDI-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341013565 1020851493 /nfs/dbraw/zinc/85/14/93/1020851493.db2.gz KMMQPFYQXQUZDI-KBPBESRZSA-N 1 2 332.423 3.635 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C1 ZINC001140393679 1020861003 /nfs/dbraw/zinc/86/10/03/1020861003.db2.gz WLDAJHSQGKLURX-NSHDSACASA-N 1 2 329.897 3.808 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C1 ZINC001140393679 1020861009 /nfs/dbraw/zinc/86/10/09/1020861009.db2.gz WLDAJHSQGKLURX-NSHDSACASA-N 1 2 329.897 3.808 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](c3ccccc3)c3ccncc3)cn2c1 ZINC000341023111 1020874806 /nfs/dbraw/zinc/87/48/06/1020874806.db2.gz RSWZOUMKDWINBO-NRFANRHFSA-N 1 2 328.419 3.917 20 0 EHADLO C[C@@H](CCc1ccco1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341040371 1020896591 /nfs/dbraw/zinc/89/65/91/1020896591.db2.gz NWEYYCUOPWQJLP-MAUKXSAKSA-N 1 2 337.423 3.662 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000341040322 1020897137 /nfs/dbraw/zinc/89/71/37/1020897137.db2.gz STLLEBSNYPDVFV-SOLBZPMBSA-N 1 2 338.455 3.640 20 0 EHADLO CN(c1cc(N2CCCC2)[nH+]cn1)C1CCC(C(F)(F)F)CC1 ZINC000341055965 1020951748 /nfs/dbraw/zinc/95/17/48/1020951748.db2.gz UZHBZDXVUIDSBC-UHFFFAOYSA-N 1 2 328.382 3.634 20 0 EHADLO CN(c1cc(N2CCCC2)nc[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000341055965 1020951755 /nfs/dbraw/zinc/95/17/55/1020951755.db2.gz UZHBZDXVUIDSBC-UHFFFAOYSA-N 1 2 328.382 3.634 20 0 EHADLO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc(C(F)(F)F)cc1 ZINC000276281782 1020981856 /nfs/dbraw/zinc/98/18/56/1020981856.db2.gz WXOGLEHJPSUAJX-LLVKDONJSA-N 1 2 336.361 3.656 20 0 EHADLO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc(C(F)(F)F)cc1 ZINC000276281782 1020981863 /nfs/dbraw/zinc/98/18/63/1020981863.db2.gz WXOGLEHJPSUAJX-LLVKDONJSA-N 1 2 336.361 3.656 20 0 EHADLO COc1ccc(C[N@H+](C)CCC(F)(F)F)c(Br)c1 ZINC000581515396 1021036392 /nfs/dbraw/zinc/03/63/92/1021036392.db2.gz OPQXPTHQGFAWPY-UHFFFAOYSA-N 1 2 326.156 3.842 20 0 EHADLO COc1ccc(C[N@@H+](C)CCC(F)(F)F)c(Br)c1 ZINC000581515396 1021036393 /nfs/dbraw/zinc/03/63/93/1021036393.db2.gz OPQXPTHQGFAWPY-UHFFFAOYSA-N 1 2 326.156 3.842 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2nc(C)no2)C1 ZINC000276338351 1021051982 /nfs/dbraw/zinc/05/19/82/1021051982.db2.gz RZRRRMRBTIXOGK-AWEZNQCLSA-N 1 2 338.411 3.627 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2C[C@H](C)C[C@@H](C)C2)c1C ZINC000606992135 1032954870 /nfs/dbraw/zinc/95/48/70/1032954870.db2.gz HYRIBVZZGKBKLR-CHWSQXEVSA-N 1 2 333.476 3.673 20 0 EHADLO C[C@@H](CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000581611207 1021147653 /nfs/dbraw/zinc/14/76/53/1021147653.db2.gz RFFSVHPMMQJUCD-LIRRHRJNSA-N 1 2 347.409 3.923 20 0 EHADLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000341244054 1021167455 /nfs/dbraw/zinc/16/74/55/1021167455.db2.gz TWWJEKWDDQBSTB-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO COc1ccc(Br)c(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000656686435 1021167923 /nfs/dbraw/zinc/16/79/23/1021167923.db2.gz LRQLUAKCWBKTGB-UHFFFAOYSA-N 1 2 338.167 3.842 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@H](C)C[C@H]3c3ccco3)nc(N)c2c1C ZINC000246739760 1021196260 /nfs/dbraw/zinc/19/62/60/1021196260.db2.gz PCVUQMDQABCCAZ-FZMZJTMJSA-N 1 2 340.427 3.988 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@H](C)C[C@H]3c3ccco3)nc(N)c2c1C ZINC000246739760 1021196265 /nfs/dbraw/zinc/19/62/65/1021196265.db2.gz PCVUQMDQABCCAZ-FZMZJTMJSA-N 1 2 340.427 3.988 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000602529199 1032962981 /nfs/dbraw/zinc/96/29/81/1032962981.db2.gz FOTMCTSRQGPLEV-OAHLLOKOSA-N 1 2 337.441 3.631 20 0 EHADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cnccn3)CC2)cc1 ZINC000518481529 1021230889 /nfs/dbraw/zinc/23/08/89/1021230889.db2.gz CYZWKBMZVHEKEQ-UHFFFAOYSA-N 1 2 337.467 3.770 20 0 EHADLO COc1ccc([C@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000426309974 1021233750 /nfs/dbraw/zinc/23/37/50/1021233750.db2.gz LXXXMRLERWUCJU-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000894839067 1021237332 /nfs/dbraw/zinc/23/73/32/1021237332.db2.gz QAIYXBRZSACSTH-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000894839067 1021237337 /nfs/dbraw/zinc/23/73/37/1021237337.db2.gz QAIYXBRZSACSTH-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(CN2CCc3ccccc32)cc1 ZINC000188865736 1021290117 /nfs/dbraw/zinc/29/01/17/1021290117.db2.gz MVDKSIIJHQMWNA-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(CN2CCc3ccccc32)cc1 ZINC000188865736 1021290131 /nfs/dbraw/zinc/29/01/31/1021290131.db2.gz MVDKSIIJHQMWNA-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439286970 1021305224 /nfs/dbraw/zinc/30/52/24/1021305224.db2.gz OXEMVTKPIJKTPJ-DAXOMENPSA-N 1 2 342.277 3.636 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439286970 1021305238 /nfs/dbraw/zinc/30/52/38/1021305238.db2.gz OXEMVTKPIJKTPJ-DAXOMENPSA-N 1 2 342.277 3.636 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccccc1C(=O)N(C)C)CC3 ZINC000669493933 1032968953 /nfs/dbraw/zinc/96/89/53/1032968953.db2.gz SSMSWTXKZYEGBK-UHFFFAOYSA-N 1 2 347.462 3.736 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccccc1C(=O)N(C)C)CC3 ZINC000669493933 1032968968 /nfs/dbraw/zinc/96/89/68/1032968968.db2.gz SSMSWTXKZYEGBK-UHFFFAOYSA-N 1 2 347.462 3.736 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)c1ccc(OC(F)(F)F)cc1)C2 ZINC000518554871 1021313573 /nfs/dbraw/zinc/31/35/73/1021313573.db2.gz CTCMWXNKBBNESY-NSHDSACASA-N 1 2 337.345 3.803 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)c1ccc(OC(F)(F)F)cc1)C2 ZINC000518554871 1021313587 /nfs/dbraw/zinc/31/35/87/1021313587.db2.gz CTCMWXNKBBNESY-NSHDSACASA-N 1 2 337.345 3.803 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCC[C@]2(C1)Nc1ccc(Cl)cc1C(=O)N2C ZINC000581654476 1021314601 /nfs/dbraw/zinc/31/46/01/1021314601.db2.gz VVYBRPSQIJSSMZ-SGTLLEGYSA-N 1 2 344.846 3.625 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc([C@H]4CCCO4)nc3C)ccc2[nH+]1 ZINC000341287521 1021324619 /nfs/dbraw/zinc/32/46/19/1021324619.db2.gz MWHVOHYZFQSMPV-CYBMUJFWSA-N 1 2 342.424 3.511 20 0 EHADLO CC(C)n1cccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341294776 1021370047 /nfs/dbraw/zinc/37/00/47/1021370047.db2.gz BKANTUBMZKCULF-UHFFFAOYSA-N 1 2 328.460 3.598 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)cs1 ZINC000276451019 1021395996 /nfs/dbraw/zinc/39/59/96/1021395996.db2.gz ZPYPAGVOBYUXMQ-WCQYABFASA-N 1 2 336.505 3.961 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000440508257 1021431583 /nfs/dbraw/zinc/43/15/83/1021431583.db2.gz UXWNKOOOPKCRLB-RQOWECAXSA-N 1 2 340.492 3.804 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000607091906 1032982949 /nfs/dbraw/zinc/98/29/49/1032982949.db2.gz JASWTYBSONVOSV-OAHLLOKOSA-N 1 2 330.859 3.519 20 0 EHADLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000607091906 1032982965 /nfs/dbraw/zinc/98/29/65/1032982965.db2.gz JASWTYBSONVOSV-OAHLLOKOSA-N 1 2 330.859 3.519 20 0 EHADLO CC(C)C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000607108762 1032988140 /nfs/dbraw/zinc/98/81/40/1032988140.db2.gz LQAWPDKBANQBFG-NRFANRHFSA-N 1 2 336.479 3.948 20 0 EHADLO C[C@@H]1CCCN(c2cc(NC3CCC4(CCOCC4)CC3)[nH+]cn2)C1 ZINC000439614134 1021592851 /nfs/dbraw/zinc/59/28/51/1021592851.db2.gz OTDFHAPRRBAFJB-MRXNPFEDSA-N 1 2 344.503 3.864 20 0 EHADLO C[C@@H]1CCCN(c2cc(NC3CCC4(CCOCC4)CC3)nc[nH+]2)C1 ZINC000439614134 1021592859 /nfs/dbraw/zinc/59/28/59/1021592859.db2.gz OTDFHAPRRBAFJB-MRXNPFEDSA-N 1 2 344.503 3.864 20 0 EHADLO CC[C@H](F)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000440579653 1021615806 /nfs/dbraw/zinc/61/58/06/1021615806.db2.gz SBUJNNRVBQSTEF-RYUDHWBXSA-N 1 2 340.443 3.869 20 0 EHADLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(C)cc1Cl ZINC000684408410 1021650061 /nfs/dbraw/zinc/65/00/61/1021650061.db2.gz SPCGBERBJVGYJV-UHFFFAOYSA-N 1 2 328.843 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(OCC(C)C)c2)c1C ZINC000064998135 1021664989 /nfs/dbraw/zinc/66/49/89/1021664989.db2.gz WWISKBQZZJLHIY-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO CSCc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000130106939 1021683765 /nfs/dbraw/zinc/68/37/65/1021683765.db2.gz CWEQMVSMJGFHQE-YOEHRIQHSA-N 1 2 344.484 3.861 20 0 EHADLO Cn1cc(C(C)(C)[NH2+]Cc2cc(-c3ccccc3Cl)on2)cn1 ZINC000516750692 1021699336 /nfs/dbraw/zinc/69/93/36/1021699336.db2.gz DJMLYQPWESCWCB-UHFFFAOYSA-N 1 2 330.819 3.753 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)[C@@H]1OCCc2sccc21 ZINC000519822777 1021717670 /nfs/dbraw/zinc/71/76/70/1021717670.db2.gz FDWNROZIFXUPBE-ZBEGNZNMSA-N 1 2 333.457 3.581 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCc1ccccc1)c1ccccc1 ZINC000440712079 1021729935 /nfs/dbraw/zinc/72/99/35/1021729935.db2.gz DLIHFJRXGWQHIV-IBGZPJMESA-N 1 2 345.446 3.721 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891483924 1021733870 /nfs/dbraw/zinc/73/38/70/1021733870.db2.gz XTEOCPCAWVJOLU-UHFFFAOYSA-N 1 2 332.831 3.733 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891483924 1021733879 /nfs/dbraw/zinc/73/38/79/1021733879.db2.gz XTEOCPCAWVJOLU-UHFFFAOYSA-N 1 2 332.831 3.733 20 0 EHADLO CCC(CC)[C@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440783037 1021775290 /nfs/dbraw/zinc/77/52/90/1021775290.db2.gz LKZHEFQAMHLRIY-HNNXBMFYSA-N 1 2 341.381 3.503 20 0 EHADLO Cn1cc(C[NH+]2CC(C(F)(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000894891871 1021807734 /nfs/dbraw/zinc/80/77/34/1021807734.db2.gz GGVQOZRTALCVJA-UHFFFAOYSA-N 1 2 335.329 3.827 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C(C)C)c(C)c1 ZINC000440878593 1021838448 /nfs/dbraw/zinc/83/84/48/1021838448.db2.gz NJQIJRYFBRONCK-MJGOQNOKSA-N 1 2 342.487 3.833 20 0 EHADLO Cc1cc(CNC(=O)Nc2cn(C)nc2C2CCCCC2)cc(C)[nH+]1 ZINC000516920495 1021853427 /nfs/dbraw/zinc/85/34/27/1021853427.db2.gz JEXVIMOXIRKMHY-UHFFFAOYSA-N 1 2 341.459 3.801 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000439961982 1021862886 /nfs/dbraw/zinc/86/28/86/1021862886.db2.gz OWCVTLMHPNPKSX-YOEHRIQHSA-N 1 2 331.847 3.612 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000440909907 1021876337 /nfs/dbraw/zinc/87/63/37/1021876337.db2.gz GWJSWFCGUKFWPJ-IBGZPJMESA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000440909907 1021876352 /nfs/dbraw/zinc/87/63/52/1021876352.db2.gz GWJSWFCGUKFWPJ-IBGZPJMESA-N 1 2 338.382 3.572 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCc3oc(C)nc32)cc1OC ZINC000925065085 1021901067 /nfs/dbraw/zinc/90/10/67/1021901067.db2.gz KVWKWIXFRVETOK-IINYFYTJSA-N 1 2 334.391 3.868 20 0 EHADLO COc1cc(OC)c(C[N@@H+]2CCc3sccc3[C@H]2C)c(OC)c1 ZINC000506744573 1021905343 /nfs/dbraw/zinc/90/53/43/1021905343.db2.gz RMJUUFNFCXLEJB-GFCCVEGCSA-N 1 2 333.453 3.893 20 0 EHADLO COc1cc(OC)c(C[N@H+]2CCc3sccc3[C@H]2C)c(OC)c1 ZINC000506744573 1021905349 /nfs/dbraw/zinc/90/53/49/1021905349.db2.gz RMJUUFNFCXLEJB-GFCCVEGCSA-N 1 2 333.453 3.893 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cc(F)c(F)c(F)c1 ZINC000426555117 1021905409 /nfs/dbraw/zinc/90/54/09/1021905409.db2.gz YXWWNVYIIAGNHL-UHFFFAOYSA-N 1 2 330.375 3.517 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cc(F)c(F)c(F)c1 ZINC000426555117 1021905420 /nfs/dbraw/zinc/90/54/20/1021905420.db2.gz YXWWNVYIIAGNHL-UHFFFAOYSA-N 1 2 330.375 3.517 20 0 EHADLO Cc1ccccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000298713828 1021912781 /nfs/dbraw/zinc/91/27/81/1021912781.db2.gz XTYDITPUDNMIQI-UHFFFAOYSA-N 1 2 347.509 3.778 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441011145 1021927513 /nfs/dbraw/zinc/92/75/13/1021927513.db2.gz JPGCKRHSMZVLAH-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441011145 1021927522 /nfs/dbraw/zinc/92/75/22/1021927522.db2.gz JPGCKRHSMZVLAH-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCC3CC3)n2)C1 ZINC000437545240 1021948817 /nfs/dbraw/zinc/94/88/17/1021948817.db2.gz JXCSPDPWHJWWGM-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCC3CC3)n2)C1 ZINC000437545240 1021948828 /nfs/dbraw/zinc/94/88/28/1021948828.db2.gz JXCSPDPWHJWWGM-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000519234528 1021953316 /nfs/dbraw/zinc/95/33/16/1021953316.db2.gz DOVBCLWEEFUSMT-QGZVFWFLSA-N 1 2 333.435 3.660 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)nc(C2CCC2)[nH+]1 ZINC000891571549 1021956473 /nfs/dbraw/zinc/95/64/73/1021956473.db2.gz BAPGOOGUZMQNOM-CQSZACIVSA-N 1 2 334.427 3.806 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc(F)c1)C2 ZINC000441082090 1021961473 /nfs/dbraw/zinc/96/14/73/1021961473.db2.gz YGUALANEBHJBHT-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(F)c1)C2 ZINC000441082090 1021961486 /nfs/dbraw/zinc/96/14/86/1021961486.db2.gz YGUALANEBHJBHT-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)c2cccnc2)CC[C@H]1c1ccccc1 ZINC000437581626 1021972937 /nfs/dbraw/zinc/97/29/37/1021972937.db2.gz LZDLXMZXOHLTGK-NSISKUIASA-N 1 2 338.451 3.811 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)c2cccnc2)CC[C@H]1c1ccccc1 ZINC000437581626 1021972946 /nfs/dbraw/zinc/97/29/46/1021972946.db2.gz LZDLXMZXOHLTGK-NSISKUIASA-N 1 2 338.451 3.811 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]Cc1c(C)c(C)c(C)c(C)c1C)C1CCOCC1 ZINC000579163098 1021976045 /nfs/dbraw/zinc/97/60/45/1021976045.db2.gz DTGCUNJFOMLDPH-FQEVSTJZSA-N 1 2 347.499 3.677 20 0 EHADLO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000276608366 1022001627 /nfs/dbraw/zinc/00/16/27/1022001627.db2.gz SDUDPNCFASTZBG-ZDUSSCGKSA-N 1 2 328.441 3.737 20 0 EHADLO Cc1cnc(CC[N@H+](C)[C@@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000276608366 1022001634 /nfs/dbraw/zinc/00/16/34/1022001634.db2.gz SDUDPNCFASTZBG-ZDUSSCGKSA-N 1 2 328.441 3.737 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Cl)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441135460 1022014904 /nfs/dbraw/zinc/01/49/04/1022014904.db2.gz SXSAVGYHIJSGQL-SWLSCSKDSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Cl)[N@H+]1CCCC[C@H](SC)C1 ZINC000441135460 1022014922 /nfs/dbraw/zinc/01/49/22/1022014922.db2.gz SXSAVGYHIJSGQL-SWLSCSKDSA-N 1 2 327.877 3.772 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000341506980 1022046413 /nfs/dbraw/zinc/04/64/13/1022046413.db2.gz OBRDSKQCCZMNMF-MNOVXSKESA-N 1 2 343.349 3.985 20 0 EHADLO C[C@@H](CC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)n1cc[nH+]c1 ZINC000520235339 1022048220 /nfs/dbraw/zinc/04/82/20/1022048220.db2.gz XXJYNPUOINTCNB-LBPRGKRZSA-N 1 2 337.345 3.659 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000341509855 1022048569 /nfs/dbraw/zinc/04/85/69/1022048569.db2.gz YDKHUTSYQMGROX-QGZVFWFLSA-N 1 2 334.822 3.788 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341522394 1022056530 /nfs/dbraw/zinc/05/65/30/1022056530.db2.gz ZAAILOLIJKFCNQ-SFHVURJKSA-N 1 2 333.391 3.773 20 0 EHADLO CC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000517175360 1022096524 /nfs/dbraw/zinc/09/65/24/1022096524.db2.gz LUBXOEHSHGDPSY-KRWDZBQOSA-N 1 2 342.487 3.598 20 0 EHADLO CCc1cc(N[C@@H](c2nccn2C)c2ccccc2F)nc(CC)[nH+]1 ZINC000891614815 1022099051 /nfs/dbraw/zinc/09/90/51/1022099051.db2.gz OLHCZHULAWYWJX-GOSISDBHSA-N 1 2 339.418 3.676 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000517210445 1022118883 /nfs/dbraw/zinc/11/88/83/1022118883.db2.gz USVFIYZVPBSDTA-AEFFLSMTSA-N 1 2 334.529 3.919 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214052 1022125209 /nfs/dbraw/zinc/12/52/09/1022125209.db2.gz NBIDALOWGRPEHE-IAOVAPTHSA-N 1 2 344.282 3.918 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214052 1022125217 /nfs/dbraw/zinc/12/52/17/1022125217.db2.gz NBIDALOWGRPEHE-IAOVAPTHSA-N 1 2 344.282 3.918 20 0 EHADLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000441311459 1022143654 /nfs/dbraw/zinc/14/36/54/1022143654.db2.gz NOMDZLORELXKTF-UHFFFAOYSA-N 1 2 340.442 3.969 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339095 1022158533 /nfs/dbraw/zinc/15/85/33/1022158533.db2.gz UZDMACKVAXZFRV-UGSOOPFHSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339095 1022158539 /nfs/dbraw/zinc/15/85/39/1022158539.db2.gz UZDMACKVAXZFRV-UGSOOPFHSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339093 1022159781 /nfs/dbraw/zinc/15/97/81/1022159781.db2.gz UZDMACKVAXZFRV-FZKQIMNGSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339093 1022159786 /nfs/dbraw/zinc/15/97/86/1022159786.db2.gz UZDMACKVAXZFRV-FZKQIMNGSA-N 1 2 330.378 3.986 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CCCCC1 ZINC000520348420 1022165162 /nfs/dbraw/zinc/16/51/62/1022165162.db2.gz UVHXIRLXXDOITM-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CCCCC1 ZINC000520348420 1022165166 /nfs/dbraw/zinc/16/51/66/1022165166.db2.gz UVHXIRLXXDOITM-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO Cc1c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cnn1CC(C)C ZINC000581893449 1022165751 /nfs/dbraw/zinc/16/57/51/1022165751.db2.gz RPEBWMVBSJUQCM-KRWDZBQOSA-N 1 2 348.878 3.742 20 0 EHADLO COCc1nc(C[NH2+]Cc2cncs2)c(-c2ccccc2)s1 ZINC000441372186 1022194365 /nfs/dbraw/zinc/19/43/65/1022194365.db2.gz BPKKIRXHUILVCX-UHFFFAOYSA-N 1 2 331.466 3.703 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc(C)cs2)[C@H](C)C1 ZINC000441381771 1022200744 /nfs/dbraw/zinc/20/07/44/1022200744.db2.gz JKBSTNZCHSWQOQ-MRXNPFEDSA-N 1 2 345.512 3.557 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2nc(C)cs2)[C@H](C)C1 ZINC000441381771 1022200755 /nfs/dbraw/zinc/20/07/55/1022200755.db2.gz JKBSTNZCHSWQOQ-MRXNPFEDSA-N 1 2 345.512 3.557 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000520408408 1022212789 /nfs/dbraw/zinc/21/27/89/1022212789.db2.gz LUCZLWJYYBWAHA-HNNXBMFYSA-N 1 2 349.830 3.649 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000520408408 1022212805 /nfs/dbraw/zinc/21/28/05/1022212805.db2.gz LUCZLWJYYBWAHA-HNNXBMFYSA-N 1 2 349.830 3.649 20 0 EHADLO C=Cn1cc(C[NH2+]Cc2nc(COC)sc2-c2ccccc2)cn1 ZINC000441385542 1022218318 /nfs/dbraw/zinc/21/83/18/1022218318.db2.gz RWUHZSGYDAWLJM-UHFFFAOYSA-N 1 2 340.452 3.543 20 0 EHADLO CC[N@H+](Cc1ccnn1C1CCC1)Cc1ccc(OC)cc1OC ZINC000891652788 1022226910 /nfs/dbraw/zinc/22/69/10/1022226910.db2.gz MCARCWMKDXXGGB-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO CC[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(OC)cc1OC ZINC000891652788 1022226918 /nfs/dbraw/zinc/22/69/18/1022226918.db2.gz MCARCWMKDXXGGB-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1Cl ZINC000894912845 1022236656 /nfs/dbraw/zinc/23/66/56/1022236656.db2.gz JAZVPNLUJOEUBT-SFHVURJKSA-N 1 2 345.874 3.736 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1Cl ZINC000894912845 1022236672 /nfs/dbraw/zinc/23/66/72/1022236672.db2.gz JAZVPNLUJOEUBT-SFHVURJKSA-N 1 2 345.874 3.736 20 0 EHADLO CC(C)[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159030 1022240742 /nfs/dbraw/zinc/24/07/42/1022240742.db2.gz DQENTMXNOSZMPC-PBHICJAKSA-N 1 2 348.878 3.664 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2c3cc(Cl)ccc3oc2=O)n1 ZINC000178236485 1022260950 /nfs/dbraw/zinc/26/09/50/1022260950.db2.gz SNBCSMUSKOFILE-HNNXBMFYSA-N 1 2 343.814 3.746 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2c3cc(Cl)ccc3oc2=O)n1 ZINC000178236485 1022260963 /nfs/dbraw/zinc/26/09/63/1022260963.db2.gz SNBCSMUSKOFILE-HNNXBMFYSA-N 1 2 343.814 3.746 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000473907618 1022261071 /nfs/dbraw/zinc/26/10/71/1022261071.db2.gz BXIGSKLRWZYXSF-INIZCTEOSA-N 1 2 328.460 3.770 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000473907618 1022261080 /nfs/dbraw/zinc/26/10/80/1022261080.db2.gz BXIGSKLRWZYXSF-INIZCTEOSA-N 1 2 328.460 3.770 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCc2ccccc2C1 ZINC000469587032 1022356938 /nfs/dbraw/zinc/35/69/38/1022356938.db2.gz NKRPHSHBZLQMDA-HNNXBMFYSA-N 1 2 325.460 3.688 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCCc2ccccc2C1 ZINC000469587032 1022356954 /nfs/dbraw/zinc/35/69/54/1022356954.db2.gz NKRPHSHBZLQMDA-HNNXBMFYSA-N 1 2 325.460 3.688 20 0 EHADLO CC[C@@H]1C[C@@]1(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C)c1 ZINC000506175171 1022373585 /nfs/dbraw/zinc/37/35/85/1022373585.db2.gz LBGDUJOUUPLNHL-IERDGZPVSA-N 1 2 346.434 3.631 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343242142 1022384073 /nfs/dbraw/zinc/38/40/73/1022384073.db2.gz KPKJGYOUCLNCBW-QGZVFWFLSA-N 1 2 325.456 3.520 20 0 EHADLO Cc1nc2sc(-c3ccccc3)cc2c(N2CC(n3cc[nH+]c3)C2)n1 ZINC000532087961 1022393851 /nfs/dbraw/zinc/39/38/51/1022393851.db2.gz NJCMJCOMJVDVLV-UHFFFAOYSA-N 1 2 347.447 3.925 20 0 EHADLO Cc1cc(NCc2ccc(Br)cn2)nc(C2CCC2)[nH+]1 ZINC000895021360 1022399528 /nfs/dbraw/zinc/39/95/28/1022399528.db2.gz NBPGSTDXTAYJJM-UHFFFAOYSA-N 1 2 333.233 3.822 20 0 EHADLO c1cc(C2CC2)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000664820336 1022400048 /nfs/dbraw/zinc/40/00/48/1022400048.db2.gz PGGKKNWAWCTZIL-DLBZAZTESA-N 1 2 325.412 3.540 20 0 EHADLO c1cc(C2CC2)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000664820336 1022400060 /nfs/dbraw/zinc/40/00/60/1022400060.db2.gz PGGKKNWAWCTZIL-DLBZAZTESA-N 1 2 325.412 3.540 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)[C@@H](CC)CN1C(C)=O ZINC000438126315 1022406218 /nfs/dbraw/zinc/40/62/18/1022406218.db2.gz JPWRQVPQXLVEMN-HOTGVXAUSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)[C@@H](CC)CN1C(C)=O ZINC000438126315 1022406221 /nfs/dbraw/zinc/40/62/21/1022406221.db2.gz JPWRQVPQXLVEMN-HOTGVXAUSA-N 1 2 326.843 3.700 20 0 EHADLO c1c(CNc2cccc[nH+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000048786410 1022433278 /nfs/dbraw/zinc/43/32/78/1022433278.db2.gz LLVDVPAOKPMMND-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(Sc2ccccc2)CCCC1 ZINC000506184146 1022445745 /nfs/dbraw/zinc/44/57/45/1022445745.db2.gz PPGBJRSGJLAMPS-UHFFFAOYSA-N 1 2 339.468 3.880 20 0 EHADLO CC[N@H+](Cc1nc2cccnc2s1)Cc1ccc(OC)cc1OC ZINC000341592989 1022456134 /nfs/dbraw/zinc/45/61/34/1022456134.db2.gz ZCIBNPCOKJCDQI-UHFFFAOYSA-N 1 2 343.452 3.731 20 0 EHADLO CC[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(OC)cc1OC ZINC000341592989 1022456140 /nfs/dbraw/zinc/45/61/40/1022456140.db2.gz ZCIBNPCOKJCDQI-UHFFFAOYSA-N 1 2 343.452 3.731 20 0 EHADLO COC(=O)c1ccc(CNc2[nH+]c3ccccc3n2C2CCCC2)o1 ZINC000438220677 1022478004 /nfs/dbraw/zinc/47/80/04/1022478004.db2.gz COIKAMFENORCLF-UHFFFAOYSA-N 1 2 339.395 3.565 20 0 EHADLO Fc1ccc(Br)c(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000225992811 1022491707 /nfs/dbraw/zinc/49/17/07/1022491707.db2.gz CILUGFLVIGAVHQ-INIZCTEOSA-N 1 2 336.204 3.949 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000303634589 1022502659 /nfs/dbraw/zinc/50/26/59/1022502659.db2.gz GKSQBIJMJIEYRA-WDSOQIARSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000303634589 1022502667 /nfs/dbraw/zinc/50/26/67/1022502667.db2.gz GKSQBIJMJIEYRA-WDSOQIARSA-N 1 2 346.540 3.780 20 0 EHADLO OCC[N@H+](CC(F)F)CC(Cc1ccccc1)Cc1ccccc1 ZINC000517634195 1022512642 /nfs/dbraw/zinc/51/26/42/1022512642.db2.gz IPPFXZGGXFRNCM-UHFFFAOYSA-N 1 2 333.422 3.647 20 0 EHADLO OCC[N@@H+](CC(F)F)CC(Cc1ccccc1)Cc1ccccc1 ZINC000517634195 1022512656 /nfs/dbraw/zinc/51/26/56/1022512656.db2.gz IPPFXZGGXFRNCM-UHFFFAOYSA-N 1 2 333.422 3.647 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1sccc1C ZINC000438297660 1022532530 /nfs/dbraw/zinc/53/25/30/1022532530.db2.gz XWHKNIWOKKGSAK-HNNXBMFYSA-N 1 2 337.872 3.626 20 0 EHADLO CC[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000550127381 1022542681 /nfs/dbraw/zinc/54/26/81/1022542681.db2.gz INGYXMUZUQNVOI-QFBILLFUSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000550127381 1022542696 /nfs/dbraw/zinc/54/26/96/1022542696.db2.gz INGYXMUZUQNVOI-QFBILLFUSA-N 1 2 326.440 3.668 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(c2ccccc2C)CC1 ZINC000438303923 1022545364 /nfs/dbraw/zinc/54/53/64/1022545364.db2.gz NPODSEWMJMYFCT-IBGZPJMESA-N 1 2 341.426 3.540 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2ccccc2)C(C)C)c1C ZINC000051335263 1022551747 /nfs/dbraw/zinc/55/17/47/1022551747.db2.gz KNXPUFFZHIYNMP-SFHVURJKSA-N 1 2 341.455 3.904 20 0 EHADLO CC(C)(C)CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425977004 1022553030 /nfs/dbraw/zinc/55/30/30/1022553030.db2.gz IUQLIARFOJTSMD-MSOLQXFVSA-N 1 2 340.471 3.847 20 0 EHADLO CC(=O)N(C)c1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438319054 1022559967 /nfs/dbraw/zinc/55/99/67/1022559967.db2.gz HIEJMZAERDDHSF-UHFFFAOYSA-N 1 2 334.423 3.526 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1OCc1ccccc1)c1ncnn1C ZINC000276744763 1022560482 /nfs/dbraw/zinc/56/04/82/1022560482.db2.gz ZNFTZRNAELWEHZ-HZPDHXFCSA-N 1 2 336.439 3.806 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C)c1OC(F)F ZINC000593825650 1033066633 /nfs/dbraw/zinc/06/66/33/1033066633.db2.gz UAOJTGXEJSUKQU-OAHLLOKOSA-N 1 2 349.381 3.579 20 0 EHADLO C[C@H]1CCN(c2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccn2)C1 ZINC000438361167 1022592219 /nfs/dbraw/zinc/59/22/19/1022592219.db2.gz AOHWODJHFBJSCN-AWEZNQCLSA-N 1 2 347.422 3.570 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000607249436 1033062721 /nfs/dbraw/zinc/06/27/21/1033062721.db2.gz AYCBFMREPMSYHS-HOTGVXAUSA-N 1 2 333.476 3.817 20 0 EHADLO Clc1cccc(N2CC[NH+](Cc3nc4cccnc4s3)CC2)c1 ZINC000341626529 1022611818 /nfs/dbraw/zinc/61/18/18/1022611818.db2.gz WHIMJUVOEJIKNK-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CC(C)[C@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003919 1022631521 /nfs/dbraw/zinc/63/15/21/1022631521.db2.gz NXDNGUWZCMMQHX-HPBDAGMYSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003919 1022631534 /nfs/dbraw/zinc/63/15/34/1022631534.db2.gz NXDNGUWZCMMQHX-HPBDAGMYSA-N 1 2 341.455 3.791 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(OC4CCCC4)nc3)ccn12 ZINC000517758122 1022638992 /nfs/dbraw/zinc/63/89/92/1022638992.db2.gz ZCZDBVGTKZVNOM-UHFFFAOYSA-N 1 2 336.395 3.611 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(C(C)(F)F)c3)[nH+]c12 ZINC000548380497 1022658843 /nfs/dbraw/zinc/65/88/43/1022658843.db2.gz SCSSLGHHTZGGHH-UHFFFAOYSA-N 1 2 329.350 3.936 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@H](C)O2 ZINC000430763036 1022666852 /nfs/dbraw/zinc/66/68/52/1022666852.db2.gz OIRAFANNRGSHQO-TYNCELHUSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@H](C)O2 ZINC000430763036 1022666866 /nfs/dbraw/zinc/66/68/66/1022666866.db2.gz OIRAFANNRGSHQO-TYNCELHUSA-N 1 2 349.418 3.925 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000517796513 1022678424 /nfs/dbraw/zinc/67/84/24/1022678424.db2.gz PCIDNHUZBVTXLL-QGZVFWFLSA-N 1 2 343.471 3.679 20 0 EHADLO CCSCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000303961260 1022678604 /nfs/dbraw/zinc/67/86/04/1022678604.db2.gz ZPGRLHIWPILBPJ-UHFFFAOYSA-N 1 2 348.537 3.721 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 ZINC000330834321 1022684812 /nfs/dbraw/zinc/68/48/12/1022684812.db2.gz HSJYZQHYYTZWNC-KOLCDFICSA-N 1 2 330.354 3.770 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837160 1022707252 /nfs/dbraw/zinc/70/72/52/1022707252.db2.gz NAPZHRZFYLROIJ-YJBOKZPZSA-N 1 2 329.488 3.550 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837160 1022707261 /nfs/dbraw/zinc/70/72/61/1022707261.db2.gz NAPZHRZFYLROIJ-YJBOKZPZSA-N 1 2 329.488 3.550 20 0 EHADLO O=C(C/C=C\c1ccccc1F)N1CC[NH+](Cc2cccs2)CC1 ZINC000426039408 1022733839 /nfs/dbraw/zinc/73/38/39/1022733839.db2.gz MENYKGFYRFHPGN-UTCJRWHESA-N 1 2 344.455 3.635 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2c(F)cc(OCC)cc2F)CC1 ZINC001143574381 1022734914 /nfs/dbraw/zinc/73/49/14/1022734914.db2.gz AUFGLMKKBUEGBM-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000088505486 1022778675 /nfs/dbraw/zinc/77/86/75/1022778675.db2.gz CRBAXGHTWWEADG-OAHLLOKOSA-N 1 2 331.437 3.880 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000088505486 1022778687 /nfs/dbraw/zinc/77/86/87/1022778687.db2.gz CRBAXGHTWWEADG-OAHLLOKOSA-N 1 2 331.437 3.880 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000341651968 1022815898 /nfs/dbraw/zinc/81/58/98/1022815898.db2.gz BGFARJYNBODRGT-CHWSQXEVSA-N 1 2 333.432 3.840 20 0 EHADLO CCCCN(CC)c1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC001266899666 1022831091 /nfs/dbraw/zinc/83/10/91/1022831091.db2.gz LOUJCCQSQVRBNS-UHFFFAOYSA-N 1 2 325.456 3.999 20 0 EHADLO CC(C)(C)C(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000430889479 1022842251 /nfs/dbraw/zinc/84/22/51/1022842251.db2.gz LJLXYNBWXLUICQ-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO C[C@H](CCc1c(F)cccc1F)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000510676425 1022864572 /nfs/dbraw/zinc/86/45/72/1022864572.db2.gz VJDUTPDSVRKZHX-CQSZACIVSA-N 1 2 347.409 3.630 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cccc2[nH+]ccn21 ZINC000188754127 1022887627 /nfs/dbraw/zinc/88/76/27/1022887627.db2.gz IXOJZZCFMQYCEP-KSSFIOAISA-N 1 2 341.842 3.950 20 0 EHADLO CCc1nc(SCc2ccc(-n3cc[nH+]c3)cc2C)[nH]c(=O)c1C ZINC000517964784 1022889446 /nfs/dbraw/zinc/88/94/46/1022889446.db2.gz HRPFHXCIHDFBRS-UHFFFAOYSA-N 1 2 340.452 3.839 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441457045 1022915893 /nfs/dbraw/zinc/91/58/93/1022915893.db2.gz IRIYOVRBCOCLCV-HNNXBMFYSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441457045 1022915906 /nfs/dbraw/zinc/91/59/06/1022915906.db2.gz IRIYOVRBCOCLCV-HNNXBMFYSA-N 1 2 348.512 3.771 20 0 EHADLO COCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000112352502 1022971305 /nfs/dbraw/zinc/97/13/05/1022971305.db2.gz IKVYWRTWABKFKU-CQSZACIVSA-N 1 2 338.879 3.642 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OCc1ccccc1 ZINC000509552451 1023030194 /nfs/dbraw/zinc/03/01/94/1023030194.db2.gz BQHUSJXAKFZHCL-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OCc1ccccc1 ZINC000509552451 1023030202 /nfs/dbraw/zinc/03/02/02/1023030202.db2.gz BQHUSJXAKFZHCL-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426775275 1023037317 /nfs/dbraw/zinc/03/73/17/1023037317.db2.gz RZEFGVHQFMXVEJ-LBPRGKRZSA-N 1 2 348.853 3.963 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)(F)F ZINC000294542039 1023056590 /nfs/dbraw/zinc/05/65/90/1023056590.db2.gz KIFGFYOPXVJHIG-MNOVXSKESA-N 1 2 331.432 3.605 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)(F)F ZINC000294542039 1023056595 /nfs/dbraw/zinc/05/65/95/1023056595.db2.gz KIFGFYOPXVJHIG-MNOVXSKESA-N 1 2 331.432 3.605 20 0 EHADLO CCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052750633 1033104162 /nfs/dbraw/zinc/10/41/62/1033104162.db2.gz LWQAWYIHRWCQBR-UHFFFAOYSA-N 1 2 328.378 3.540 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)s1 ZINC000439000882 1023200437 /nfs/dbraw/zinc/20/04/37/1023200437.db2.gz XOEKAGGBGKGGQF-NSHDSACASA-N 1 2 333.457 3.523 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000190469663 1023203973 /nfs/dbraw/zinc/20/39/73/1023203973.db2.gz FERBUGBSDFSFTI-IRXDYDNUSA-N 1 2 334.508 3.836 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263469 1023217236 /nfs/dbraw/zinc/21/72/36/1023217236.db2.gz PMGZTIAEFKHVJB-PXNSSMCTSA-N 1 2 346.515 3.563 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263469 1023217246 /nfs/dbraw/zinc/21/72/46/1023217246.db2.gz PMGZTIAEFKHVJB-PXNSSMCTSA-N 1 2 346.515 3.563 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000426259454 1023217530 /nfs/dbraw/zinc/21/75/30/1023217530.db2.gz ZNTJAFFAZHFWPK-UHFFFAOYSA-N 1 2 342.386 3.541 20 0 EHADLO O=C(NCc1ccccn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439030878 1023233959 /nfs/dbraw/zinc/23/39/59/1023233959.db2.gz WQVZJMJREZAYKH-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000507315668 1023240570 /nfs/dbraw/zinc/24/05/70/1023240570.db2.gz DZPALMAJQAVQKQ-CABCVRRESA-N 1 2 346.500 3.833 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000459074365 1023248788 /nfs/dbraw/zinc/24/87/88/1023248788.db2.gz KIMALBNQCZAGQS-UHFFFAOYSA-N 1 2 333.382 3.711 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1C(F)(F)F ZINC000190162501 1023256719 /nfs/dbraw/zinc/25/67/19/1023256719.db2.gz YQXKNOMDBHDWJZ-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1C(F)(F)F ZINC000190162501 1023256726 /nfs/dbraw/zinc/25/67/26/1023256726.db2.gz YQXKNOMDBHDWJZ-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCCCc2ccc(Cl)s2)c[nH+]1 ZINC000897693707 1033118275 /nfs/dbraw/zinc/11/82/75/1033118275.db2.gz RDMBTEQSBHQWNT-UHFFFAOYSA-N 1 2 339.892 3.781 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)ccn12 ZINC000518394626 1023282705 /nfs/dbraw/zinc/28/27/05/1023282705.db2.gz VTXQPSRGQSOSOJ-MAUKXSAKSA-N 1 2 333.435 3.969 20 0 EHADLO C[C@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554922 1023290379 /nfs/dbraw/zinc/29/03/79/1023290379.db2.gz CTMKTCNDUOSDHU-YVEFUNNKSA-N 1 2 346.272 3.681 20 0 EHADLO C[C@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554922 1023290380 /nfs/dbraw/zinc/29/03/80/1023290380.db2.gz CTMKTCNDUOSDHU-YVEFUNNKSA-N 1 2 346.272 3.681 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)s1 ZINC000091172604 1023297275 /nfs/dbraw/zinc/29/72/75/1023297275.db2.gz UQIORXJYCKXSJI-LLVKDONJSA-N 1 2 338.864 3.706 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCC(F)(F)F)c(C)c1 ZINC000441502014 1023300903 /nfs/dbraw/zinc/30/09/03/1023300903.db2.gz QZNAGQOHKVIABG-OAHLLOKOSA-N 1 2 339.361 3.700 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568192 1033127725 /nfs/dbraw/zinc/12/77/25/1033127725.db2.gz VYORPNQTNALUSO-OIRASMEMSA-N 1 2 346.427 3.897 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568192 1033127732 /nfs/dbraw/zinc/12/77/32/1033127732.db2.gz VYORPNQTNALUSO-OIRASMEMSA-N 1 2 346.427 3.897 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000891923066 1023418557 /nfs/dbraw/zinc/41/85/57/1023418557.db2.gz JWIKHNBNHBDUCI-UHFFFAOYSA-N 1 2 344.406 3.563 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000891923066 1023418560 /nfs/dbraw/zinc/41/85/60/1023418560.db2.gz JWIKHNBNHBDUCI-UHFFFAOYSA-N 1 2 344.406 3.563 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000341836244 1023426927 /nfs/dbraw/zinc/42/69/27/1023426927.db2.gz QDYDWOPKTOAWMD-UHFFFAOYSA-N 1 2 349.883 3.908 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000341836244 1023426930 /nfs/dbraw/zinc/42/69/30/1023426930.db2.gz QDYDWOPKTOAWMD-UHFFFAOYSA-N 1 2 349.883 3.908 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCc1noc2ccccc12 ZINC000593968857 1033132653 /nfs/dbraw/zinc/13/26/53/1033132653.db2.gz TVEREAWBOAROAL-INIZCTEOSA-N 1 2 330.428 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCc1noc2ccccc12 ZINC000593968857 1033132658 /nfs/dbraw/zinc/13/26/58/1033132658.db2.gz TVEREAWBOAROAL-INIZCTEOSA-N 1 2 330.428 3.567 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000341869717 1023499334 /nfs/dbraw/zinc/49/93/34/1023499334.db2.gz JZWSVIHXKXQZTD-CQSZACIVSA-N 1 2 345.443 3.851 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000341869717 1023499342 /nfs/dbraw/zinc/49/93/42/1023499342.db2.gz JZWSVIHXKXQZTD-CQSZACIVSA-N 1 2 345.443 3.851 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cccc(Br)c2Cl)on1 ZINC000926576890 1033146301 /nfs/dbraw/zinc/14/63/01/1033146301.db2.gz GMTOCDYDNOOOFU-QMMMGPOBSA-N 1 2 345.624 3.950 20 0 EHADLO Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2Cl)c(C)c[nH+]1 ZINC000535748842 1023606150 /nfs/dbraw/zinc/60/61/50/1023606150.db2.gz LLANRLCMEDJRMM-UHFFFAOYSA-N 1 2 330.815 3.957 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000535801819 1023648689 /nfs/dbraw/zinc/64/86/89/1023648689.db2.gz WRDLLQDSYIMWHM-DAXSKMNVSA-N 1 2 339.508 3.852 20 0 EHADLO C(=C\c1ccccc1)\CN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000535801819 1023648691 /nfs/dbraw/zinc/64/86/91/1023648691.db2.gz WRDLLQDSYIMWHM-DAXSKMNVSA-N 1 2 339.508 3.852 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000341915696 1023674608 /nfs/dbraw/zinc/67/46/08/1023674608.db2.gz XBORDBZZKALVIT-UZRURVBFSA-N 1 2 341.476 3.768 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000341915696 1023674611 /nfs/dbraw/zinc/67/46/11/1023674611.db2.gz XBORDBZZKALVIT-UZRURVBFSA-N 1 2 341.476 3.768 20 0 EHADLO CSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144293497 1023707168 /nfs/dbraw/zinc/70/71/68/1023707168.db2.gz YCGWXIGORHRBSA-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO O=C(CCCOc1ccccc1F)Nc1ccccc1-n1cc[nH+]c1 ZINC000342022063 1023762732 /nfs/dbraw/zinc/76/27/32/1023762732.db2.gz VUGQVUUFFWUPDA-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)cc1F ZINC000046469196 1033174835 /nfs/dbraw/zinc/17/48/35/1033174835.db2.gz QMOJCMOJKOLHTG-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000574485191 1033171036 /nfs/dbraw/zinc/17/10/36/1033171036.db2.gz HMMFNISTNUNHHQ-MRXNPFEDSA-N 1 2 336.439 3.777 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000574485191 1033171045 /nfs/dbraw/zinc/17/10/45/1033171045.db2.gz HMMFNISTNUNHHQ-MRXNPFEDSA-N 1 2 336.439 3.777 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000150726464 1023928971 /nfs/dbraw/zinc/92/89/71/1023928971.db2.gz AICTUCGBVUKMET-HNNXBMFYSA-N 1 2 347.484 3.879 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000150726464 1023928977 /nfs/dbraw/zinc/92/89/77/1023928977.db2.gz AICTUCGBVUKMET-HNNXBMFYSA-N 1 2 347.484 3.879 20 0 EHADLO COc1ccc(-c2nccc(N3CCC[C@@H]3c3[nH]c(C)c(C)[nH+]3)n2)cc1 ZINC000895197906 1023953817 /nfs/dbraw/zinc/95/38/17/1023953817.db2.gz WXXFJHOXTCMJTH-QGZVFWFLSA-N 1 2 349.438 3.834 20 0 EHADLO CN(C)c1nc(C(F)(F)F)ccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000895202686 1023962675 /nfs/dbraw/zinc/96/26/75/1023962675.db2.gz RXDKQALQNRJOCX-UHFFFAOYSA-N 1 2 335.333 3.655 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c[nH+]1 ZINC000459101972 1023981000 /nfs/dbraw/zinc/98/10/00/1023981000.db2.gz AIYJGZQGBJLHCD-IBGZPJMESA-N 1 2 338.455 3.920 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000046469781 1033178126 /nfs/dbraw/zinc/17/81/26/1033178126.db2.gz MPWNSGMRTASOLP-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO CCOc1ccc(CCC2CC[NH+](Cc3nnc(CC)[nH]3)CC2)cc1 ZINC000475024291 1024039901 /nfs/dbraw/zinc/03/99/01/1024039901.db2.gz NLNBSGUTOTWHKN-UHFFFAOYSA-N 1 2 342.487 3.611 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513997998 1024040236 /nfs/dbraw/zinc/04/02/36/1024040236.db2.gz XZZRITRRDHIHDI-HNAYVOBHSA-N 1 2 342.870 3.925 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999284 1024040863 /nfs/dbraw/zinc/04/08/63/1024040863.db2.gz LHOMUEPILBFQJP-DLBZAZTESA-N 1 2 332.875 3.783 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000443854078 1024052525 /nfs/dbraw/zinc/05/25/25/1024052525.db2.gz NWDBIEITTHAEFE-UHFFFAOYSA-N 1 2 329.387 3.686 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)Nc1ccon1 ZINC000657199341 1024058175 /nfs/dbraw/zinc/05/81/75/1024058175.db2.gz DYAQYSICHKZKBH-GOSISDBHSA-N 1 2 325.412 3.621 20 0 EHADLO O=C(C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)Nc1ccon1 ZINC000657199341 1024058194 /nfs/dbraw/zinc/05/81/94/1024058194.db2.gz DYAQYSICHKZKBH-GOSISDBHSA-N 1 2 325.412 3.621 20 0 EHADLO O=C(c1cc(Nc2cccn3cc[nH+]c23)ccc1F)N1CCCCC1 ZINC001211868998 1024074515 /nfs/dbraw/zinc/07/45/15/1024074515.db2.gz PDVAOCTWHHOWMD-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151197029 1024075585 /nfs/dbraw/zinc/07/55/85/1024075585.db2.gz DUMYPLBHQMZEFE-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c[nH+]1 ZINC000897795331 1033180788 /nfs/dbraw/zinc/18/07/88/1033180788.db2.gz FPLCTIWAOMPRME-UHFFFAOYSA-N 1 2 334.423 3.936 20 0 EHADLO C[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000443520389 1024089730 /nfs/dbraw/zinc/08/97/30/1024089730.db2.gz RKCBXVQMMBUGKA-SNVBAGLBSA-N 1 2 339.208 3.752 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000151456995 1024111499 /nfs/dbraw/zinc/11/14/99/1024111499.db2.gz CKOSLJFQXUOFRH-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000522251515 1024111879 /nfs/dbraw/zinc/11/18/79/1024111879.db2.gz CLNSLLPYICINJS-IBGZPJMESA-N 1 2 349.459 3.800 20 0 EHADLO COC[C@H](C)N(C)c1cc(C)[nH+]c2c(OC(F)(F)F)cccc12 ZINC000522646739 1024141843 /nfs/dbraw/zinc/14/18/43/1024141843.db2.gz BTOKKAYQEPLEFB-NSHDSACASA-N 1 2 328.334 3.913 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000343305181 1024182767 /nfs/dbraw/zinc/18/27/67/1024182767.db2.gz UGZYPEXUSCJWPH-RLHHIGHOSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000343305181 1024182771 /nfs/dbraw/zinc/18/27/71/1024182771.db2.gz UGZYPEXUSCJWPH-RLHHIGHOSA-N 1 2 336.426 3.653 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1[C@H]1CCCO1 ZINC000329782622 1024192303 /nfs/dbraw/zinc/19/23/03/1024192303.db2.gz OAIGMNMUHFCLJV-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1[C@H]1CCCO1 ZINC000329782622 1024192315 /nfs/dbraw/zinc/19/23/15/1024192315.db2.gz OAIGMNMUHFCLJV-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO Cc1ccsc1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342143085 1024228125 /nfs/dbraw/zinc/22/81/25/1024228125.db2.gz VRAQOPDYMRFGFD-HNNXBMFYSA-N 1 2 325.437 3.618 20 0 EHADLO C[C@H](F)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000505455603 1024230998 /nfs/dbraw/zinc/23/09/98/1024230998.db2.gz OBDXVTNGIFBIMZ-AWEZNQCLSA-N 1 2 334.464 3.703 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505461065 1024266799 /nfs/dbraw/zinc/26/67/99/1024266799.db2.gz PPMLPCAQNHMLAQ-KRWDZBQOSA-N 1 2 346.471 3.691 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985342 1024277438 /nfs/dbraw/zinc/27/74/38/1024277438.db2.gz DDPOHENTMRAZCW-ZWKOTPCHSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985342 1024277446 /nfs/dbraw/zinc/27/74/46/1024277446.db2.gz DDPOHENTMRAZCW-ZWKOTPCHSA-N 1 2 340.471 3.550 20 0 EHADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123502 1024312790 /nfs/dbraw/zinc/31/27/90/1024312790.db2.gz LOGRQNWMLOXJRG-DLBZAZTESA-N 1 2 332.469 3.640 20 0 EHADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123502 1024312802 /nfs/dbraw/zinc/31/28/02/1024312802.db2.gz LOGRQNWMLOXJRG-DLBZAZTESA-N 1 2 332.469 3.640 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000113516699 1024321543 /nfs/dbraw/zinc/32/15/43/1024321543.db2.gz LCEYXDYPILMMKT-SFHVURJKSA-N 1 2 348.878 3.948 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000113516699 1024321559 /nfs/dbraw/zinc/32/15/59/1024321559.db2.gz LCEYXDYPILMMKT-SFHVURJKSA-N 1 2 348.878 3.948 20 0 EHADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517019 1024322144 /nfs/dbraw/zinc/32/21/44/1024322144.db2.gz RXQLJAZSLBEQJQ-CVEARBPZSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517019 1024322157 /nfs/dbraw/zinc/32/21/57/1024322157.db2.gz RXQLJAZSLBEQJQ-CVEARBPZSA-N 1 2 347.480 3.732 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3ccc(F)c(F)c3n2)[nH]1 ZINC000639103966 1024323685 /nfs/dbraw/zinc/32/36/85/1024323685.db2.gz WZJDBSBCCVWIPE-QWRGUYRKSA-N 1 2 345.397 3.995 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC000151648575 1024326083 /nfs/dbraw/zinc/32/60/83/1024326083.db2.gz JSKXWWFIFAHLMF-HNNXBMFYSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)CS1 ZINC000277254445 1024348692 /nfs/dbraw/zinc/34/86/92/1024348692.db2.gz OGXVHKNFSPBXKJ-XOKHGSTOSA-N 1 2 333.476 3.768 20 0 EHADLO Cc1cc(Br)cc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895347525 1024350415 /nfs/dbraw/zinc/35/04/15/1024350415.db2.gz IHHOENFBUONISE-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO Cc1noc(C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccc2)n1 ZINC000277264512 1024380483 /nfs/dbraw/zinc/38/04/83/1024380483.db2.gz XEYRGQONJTWTKF-MRXNPFEDSA-N 1 2 335.411 3.750 20 0 EHADLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)cc2cccnc21 ZINC000430112146 1024381230 /nfs/dbraw/zinc/38/12/30/1024381230.db2.gz WLCMVJHJJCYTGY-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H]1Cc1ccccc1 ZINC000425193456 1024431215 /nfs/dbraw/zinc/43/12/15/1024431215.db2.gz KPYJHYHVVKGIIW-VQTJNVASSA-N 1 2 345.446 3.775 20 0 EHADLO Cc1ccccc1-c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000113731311 1024449072 /nfs/dbraw/zinc/44/90/72/1024449072.db2.gz XNRRDVAUFUYASO-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO Cc1nc([C@H]2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)no1 ZINC000895401407 1024469531 /nfs/dbraw/zinc/46/95/31/1024469531.db2.gz QWAGTJKUHKLKQE-LBPRGKRZSA-N 1 2 348.328 3.939 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000346222110 1024534225 /nfs/dbraw/zinc/53/42/25/1024534225.db2.gz OWMHXGGSUYAHFY-LJQANCHMSA-N 1 2 339.826 3.902 20 0 EHADLO FC(F)(F)c1nc(CNC[C@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000895468292 1024540478 /nfs/dbraw/zinc/54/04/78/1024540478.db2.gz INRAOXOHLAUQTC-CQSZACIVSA-N 1 2 341.402 3.526 20 0 EHADLO FC(F)(F)c1nc(CNC[C@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000895468292 1024540488 /nfs/dbraw/zinc/54/04/88/1024540488.db2.gz INRAOXOHLAUQTC-CQSZACIVSA-N 1 2 341.402 3.526 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+]Cc2nc(C)c(C)s2)on1 ZINC000895473996 1024545404 /nfs/dbraw/zinc/54/54/04/1024545404.db2.gz SKXKIMIMLYYWPP-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000098121922 1024580887 /nfs/dbraw/zinc/58/08/87/1024580887.db2.gz ULXDBWADCBSSST-MWDXBVQZSA-N 1 2 347.503 3.852 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000098121922 1024580895 /nfs/dbraw/zinc/58/08/95/1024580895.db2.gz ULXDBWADCBSSST-MWDXBVQZSA-N 1 2 347.503 3.852 20 0 EHADLO CCOCOc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000783491970 1024602603 /nfs/dbraw/zinc/60/26/03/1024602603.db2.gz XITMIKDBGDHJOG-FQEVSTJZSA-N 1 2 327.424 3.633 20 0 EHADLO CCOCOc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000783491970 1024602609 /nfs/dbraw/zinc/60/26/09/1024602609.db2.gz XITMIKDBGDHJOG-FQEVSTJZSA-N 1 2 327.424 3.633 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346287435 1024605205 /nfs/dbraw/zinc/60/52/05/1024605205.db2.gz AXNBVEAVJGPGGF-QFIPXVFZSA-N 1 2 347.462 3.624 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346287435 1024605219 /nfs/dbraw/zinc/60/52/19/1024605219.db2.gz AXNBVEAVJGPGGF-QFIPXVFZSA-N 1 2 347.462 3.624 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(Br)c(C)c2)c[nH+]1 ZINC000895554489 1024607690 /nfs/dbraw/zinc/60/76/90/1024607690.db2.gz ZUGYSEACNGJBOR-UHFFFAOYSA-N 1 2 336.233 3.636 20 0 EHADLO c1ccc([C@H]2[N@H+](Cc3noc4c3CCCC4)CC23CCOCC3)cc1 ZINC000665197624 1024616162 /nfs/dbraw/zinc/61/61/62/1024616162.db2.gz YLFAIZDUFODAGW-HXUWFJFHSA-N 1 2 338.451 3.907 20 0 EHADLO c1ccc([C@H]2[N@@H+](Cc3noc4c3CCCC4)CC23CCOCC3)cc1 ZINC000665197624 1024616166 /nfs/dbraw/zinc/61/61/66/1024616166.db2.gz YLFAIZDUFODAGW-HXUWFJFHSA-N 1 2 338.451 3.907 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000417772871 1024633812 /nfs/dbraw/zinc/63/38/12/1024633812.db2.gz KGCVSJRFYJBJMW-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000417772871 1024633823 /nfs/dbraw/zinc/63/38/23/1024633823.db2.gz KGCVSJRFYJBJMW-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO c1csc(-c2cc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)no2)c1 ZINC000281077456 1024634348 /nfs/dbraw/zinc/63/43/48/1024634348.db2.gz UFXBWLMXRWSWPZ-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2cc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)no2)c1 ZINC000281077456 1024634359 /nfs/dbraw/zinc/63/43/59/1024634359.db2.gz UFXBWLMXRWSWPZ-MRXNPFEDSA-N 1 2 341.436 3.589 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000895593961 1024650507 /nfs/dbraw/zinc/65/05/07/1024650507.db2.gz CFVFRXYICWRUSL-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000895593961 1024650510 /nfs/dbraw/zinc/65/05/10/1024650510.db2.gz CFVFRXYICWRUSL-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342972 1024666968 /nfs/dbraw/zinc/66/69/68/1024666968.db2.gz DYOYNYKRIUPDQE-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342972 1024666973 /nfs/dbraw/zinc/66/69/73/1024666973.db2.gz DYOYNYKRIUPDQE-KBPBESRZSA-N 1 2 346.780 3.640 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000281148227 1024676904 /nfs/dbraw/zinc/67/69/04/1024676904.db2.gz ZYMUBOOUOLLLMI-RBUKOAKNSA-N 1 2 345.483 3.551 20 0 EHADLO COc1ccc2ccc(NC[C@@H]3CCC4(CCOCC4)CO3)[nH+]c2c1 ZINC000895130930 1024698015 /nfs/dbraw/zinc/69/80/15/1024698015.db2.gz DGJNRWXYSIGUDE-KRWDZBQOSA-N 1 2 342.439 3.631 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000346417429 1024704452 /nfs/dbraw/zinc/70/44/52/1024704452.db2.gz OIYCISUQEOHMBI-GFCCVEGCSA-N 1 2 332.831 3.804 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000346417429 1024704461 /nfs/dbraw/zinc/70/44/61/1024704461.db2.gz OIYCISUQEOHMBI-GFCCVEGCSA-N 1 2 332.831 3.804 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1cccc(C)c1C)[C@H]1CCc2ccccc21 ZINC000059017975 1033231695 /nfs/dbraw/zinc/23/16/95/1033231695.db2.gz PONMORCUHZWLRE-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1cccc(C)c1C)[C@H]1CCc2ccccc21 ZINC000059017975 1033231709 /nfs/dbraw/zinc/23/17/09/1033231709.db2.gz PONMORCUHZWLRE-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000281192467 1024735277 /nfs/dbraw/zinc/73/52/77/1024735277.db2.gz INXHGICZGJXZTC-OAHLLOKOSA-N 1 2 339.361 3.888 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000281192467 1024735283 /nfs/dbraw/zinc/73/52/83/1024735283.db2.gz INXHGICZGJXZTC-OAHLLOKOSA-N 1 2 339.361 3.888 20 0 EHADLO CC(C)C[C@H](C)CS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427697299 1024740523 /nfs/dbraw/zinc/74/05/23/1024740523.db2.gz UFGASVOYNXLZRB-IRXDYDNUSA-N 1 2 349.544 3.534 20 0 EHADLO CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC1(C)C ZINC000425326786 1024754970 /nfs/dbraw/zinc/75/49/70/1024754970.db2.gz LZTALHJIENBVFC-ULQDDVLXSA-N 1 2 325.456 3.873 20 0 EHADLO COc1ccccc1-c1csc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000895714316 1024755151 /nfs/dbraw/zinc/75/51/51/1024755151.db2.gz AMWKYGBSCXIIBA-AWEZNQCLSA-N 1 2 345.468 3.630 20 0 EHADLO COc1ccccc1-c1csc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000895714316 1024755155 /nfs/dbraw/zinc/75/51/55/1024755155.db2.gz AMWKYGBSCXIIBA-AWEZNQCLSA-N 1 2 345.468 3.630 20 0 EHADLO CCc1nnc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157067742 1024759676 /nfs/dbraw/zinc/75/96/76/1024759676.db2.gz LNSCDUMMCCFLQO-ZDUSSCGKSA-N 1 2 335.835 3.576 20 0 EHADLO CCc1nnc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157067742 1024759685 /nfs/dbraw/zinc/75/96/85/1024759685.db2.gz LNSCDUMMCCFLQO-ZDUSSCGKSA-N 1 2 335.835 3.576 20 0 EHADLO CC(C)n1c[nH+]cc1CN(Cc1ccco1)Cc1ccc(O)cc1 ZINC000425331751 1024769470 /nfs/dbraw/zinc/76/94/70/1024769470.db2.gz YEZPMPAJWDZVQE-UHFFFAOYSA-N 1 2 325.412 3.965 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001141838068 1024789025 /nfs/dbraw/zinc/78/90/25/1024789025.db2.gz ZTYDYNSQLNVJHI-ZJUUUORDSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001141838068 1024789033 /nfs/dbraw/zinc/78/90/33/1024789033.db2.gz ZTYDYNSQLNVJHI-ZJUUUORDSA-N 1 2 348.643 3.710 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000514849538 1024797339 /nfs/dbraw/zinc/79/73/39/1024797339.db2.gz CFTHHLKBLAIUMK-DYEKYZERSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000514849538 1024797354 /nfs/dbraw/zinc/79/73/54/1024797354.db2.gz CFTHHLKBLAIUMK-DYEKYZERSA-N 1 2 328.909 3.917 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000425344107 1024810959 /nfs/dbraw/zinc/81/09/59/1024810959.db2.gz IUWCZDQOEAJVIT-OAQYLSRUSA-N 1 2 325.865 3.608 20 0 EHADLO C[C@]12CC3CC(C(=O)N4CC(Oc5cc[nH+]cc5)C4)(C1)C[C@@](C)(C3)C2 ZINC000594178215 1033236620 /nfs/dbraw/zinc/23/66/20/1033236620.db2.gz ZPQJHXJWTZFOEF-LVBDODCMSA-N 1 2 340.467 3.668 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1Cl ZINC000892117728 1024826946 /nfs/dbraw/zinc/82/69/46/1024826946.db2.gz PVEOUORQGBLLIX-HNNXBMFYSA-N 1 2 331.847 3.619 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1Cl ZINC000892117728 1024826967 /nfs/dbraw/zinc/82/69/67/1024826967.db2.gz PVEOUORQGBLLIX-HNNXBMFYSA-N 1 2 331.847 3.619 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427861444 1024849512 /nfs/dbraw/zinc/84/95/12/1024849512.db2.gz CZIGBUBYYMWCOT-IRXDYDNUSA-N 1 2 339.426 3.884 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000508049205 1024857165 /nfs/dbraw/zinc/85/71/65/1024857165.db2.gz FLWYVNJBPZHGHE-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccco1 ZINC000607633326 1033241595 /nfs/dbraw/zinc/24/15/95/1033241595.db2.gz LWVGMRZVUFMJTN-ZDUSSCGKSA-N 1 2 333.457 3.710 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ncc(Br)s1 ZINC000895862506 1024906187 /nfs/dbraw/zinc/90/61/87/1024906187.db2.gz XQJTZWQBQLVDNK-UHFFFAOYSA-N 1 2 343.294 3.590 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000342331343 1024913507 /nfs/dbraw/zinc/91/35/07/1024913507.db2.gz DQEKOBRVNOFAAO-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001269967889 1024952943 /nfs/dbraw/zinc/95/29/43/1024952943.db2.gz RJPUFYKCDWNMEC-GBESFXJTSA-N 1 2 338.536 3.695 20 0 EHADLO CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001269967889 1024952953 /nfs/dbraw/zinc/95/29/53/1024952953.db2.gz RJPUFYKCDWNMEC-GBESFXJTSA-N 1 2 338.536 3.695 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)[C@@H]1CCc1ccccc1 ZINC000895909394 1024969121 /nfs/dbraw/zinc/96/91/21/1024969121.db2.gz OFCPORHANVWQHA-CABCVRRESA-N 1 2 336.888 3.755 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)[C@@H]1CCc1ccccc1 ZINC000895909394 1024969131 /nfs/dbraw/zinc/96/91/31/1024969131.db2.gz OFCPORHANVWQHA-CABCVRRESA-N 1 2 336.888 3.755 20 0 EHADLO COc1cccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)n1 ZINC001211885643 1024976562 /nfs/dbraw/zinc/97/65/62/1024976562.db2.gz RIMBNRACBWWIFK-HOCLYGCPSA-N 1 2 336.395 3.696 20 0 EHADLO CCC1(O)CC[NH+](Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143432662 1024999011 /nfs/dbraw/zinc/99/90/11/1024999011.db2.gz GPNWIQYBFKIQGT-UHFFFAOYSA-N 1 2 337.769 3.976 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000761051168 1033253871 /nfs/dbraw/zinc/25/38/71/1033253871.db2.gz UWPXBKBMHRUMSJ-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000761051168 1033253881 /nfs/dbraw/zinc/25/38/81/1033253881.db2.gz UWPXBKBMHRUMSJ-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000515093586 1025013496 /nfs/dbraw/zinc/01/34/96/1025013496.db2.gz NDURIBCFLNFMOO-ICSRJNTNSA-N 1 2 327.424 3.635 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000515093586 1025013503 /nfs/dbraw/zinc/01/35/03/1025013503.db2.gz NDURIBCFLNFMOO-ICSRJNTNSA-N 1 2 327.424 3.635 20 0 EHADLO Cn1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(-c2cccs2)n1 ZINC000897944382 1033254581 /nfs/dbraw/zinc/25/45/81/1033254581.db2.gz NJCUBWZHSVWXAQ-UHFFFAOYSA-N 1 2 330.457 3.724 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342346708 1025016496 /nfs/dbraw/zinc/01/64/96/1025016496.db2.gz RVQXWOIETYHHTK-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3nnc(C(C)C)s3)C2)cc1C ZINC000895977758 1025036293 /nfs/dbraw/zinc/03/62/93/1025036293.db2.gz PDZHVDPEANRJAS-HNNXBMFYSA-N 1 2 344.484 3.561 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1F ZINC000342357976 1025049998 /nfs/dbraw/zinc/04/99/98/1025049998.db2.gz NXIFETVPVJZAQY-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1F ZINC000342357976 1025050005 /nfs/dbraw/zinc/05/00/05/1025050005.db2.gz NXIFETVPVJZAQY-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511057835 1025051492 /nfs/dbraw/zinc/05/14/92/1025051492.db2.gz BZRRSSBDIOZMGW-GFCCVEGCSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511057835 1025051503 /nfs/dbraw/zinc/05/15/03/1025051503.db2.gz BZRRSSBDIOZMGW-GFCCVEGCSA-N 1 2 326.843 3.606 20 0 EHADLO Cc1cnc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000428230859 1025064938 /nfs/dbraw/zinc/06/49/38/1025064938.db2.gz TUKGQKACHBGHSP-CVEARBPZSA-N 1 2 344.890 3.878 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(C)n1 ZINC000048679199 1025065794 /nfs/dbraw/zinc/06/57/94/1025065794.db2.gz NMVFUEYXYQOWGV-GFCCVEGCSA-N 1 2 344.484 3.639 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(C)n1 ZINC000048679199 1025065804 /nfs/dbraw/zinc/06/58/04/1025065804.db2.gz NMVFUEYXYQOWGV-GFCCVEGCSA-N 1 2 344.484 3.639 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000346735874 1025067844 /nfs/dbraw/zinc/06/78/44/1025067844.db2.gz TUSIBSXWSIVOBB-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000520830468 1025069801 /nfs/dbraw/zinc/06/98/01/1025069801.db2.gz FQZNEJQHFQGCHX-IBGZPJMESA-N 1 2 348.849 3.993 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000435703799 1025090385 /nfs/dbraw/zinc/09/03/85/1025090385.db2.gz HLSDZZYZAAWKOU-KRWDZBQOSA-N 1 2 346.862 3.863 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000657317088 1025104820 /nfs/dbraw/zinc/10/48/20/1025104820.db2.gz PQIIUDZSXOUTJZ-UHFFFAOYSA-N 1 2 340.471 3.883 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277437168 1025105912 /nfs/dbraw/zinc/10/59/12/1025105912.db2.gz MHECXDYGRSSNAC-INIZCTEOSA-N 1 2 344.459 3.510 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277437168 1025105916 /nfs/dbraw/zinc/10/59/16/1025105916.db2.gz MHECXDYGRSSNAC-INIZCTEOSA-N 1 2 344.459 3.510 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120089621 1033259464 /nfs/dbraw/zinc/25/94/64/1033259464.db2.gz XYNOIVDAYDODCV-FXAWDEMLSA-N 1 2 339.483 3.641 20 0 EHADLO Cc1cccc([C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000548658025 1025120658 /nfs/dbraw/zinc/12/06/58/1025120658.db2.gz SYXJYDXKTNDPED-WMZOPIPTSA-N 1 2 340.471 3.593 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H](C)O1 ZINC000435767468 1025128876 /nfs/dbraw/zinc/12/88/76/1025128876.db2.gz HZTPOIBXSNQUOO-CALCHBBNSA-N 1 2 339.483 3.834 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H](C)O1 ZINC000435767468 1025128882 /nfs/dbraw/zinc/12/88/82/1025128882.db2.gz HZTPOIBXSNQUOO-CALCHBBNSA-N 1 2 339.483 3.834 20 0 EHADLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OCc1ccccc1 ZINC000435770125 1025130051 /nfs/dbraw/zinc/13/00/51/1025130051.db2.gz YRUPIEDGVSNNKN-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)cs1 ZINC000665528188 1025173194 /nfs/dbraw/zinc/17/31/94/1025173194.db2.gz UFRKEHSHDAWCDM-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000515335781 1025175873 /nfs/dbraw/zinc/17/58/73/1025175873.db2.gz NEULLVULJNAEGC-HNNXBMFYSA-N 1 2 335.517 3.544 20 0 EHADLO Cn1cnc2c1CC[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C2 ZINC001143435320 1025205074 /nfs/dbraw/zinc/20/50/74/1025205074.db2.gz DOALPQXPJVPKRF-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1cnc2c1CC[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C2 ZINC001143435320 1025205083 /nfs/dbraw/zinc/20/50/83/1025205083.db2.gz DOALPQXPJVPKRF-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)cc1OC(F)(F)F)C2 ZINC001143435320 1025205092 /nfs/dbraw/zinc/20/50/92/1025205092.db2.gz DOALPQXPJVPKRF-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000521120702 1025211814 /nfs/dbraw/zinc/21/18/14/1025211814.db2.gz GSOPNXMUSHQTQN-WMZOPIPTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000521120702 1025211824 /nfs/dbraw/zinc/21/18/24/1025211824.db2.gz GSOPNXMUSHQTQN-WMZOPIPTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccccc1CNc1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000346828426 1025214041 /nfs/dbraw/zinc/21/40/41/1025214041.db2.gz NSAAPXSJQOQFJR-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000428324643 1025216636 /nfs/dbraw/zinc/21/66/36/1025216636.db2.gz YGRBTVNOVPFHIP-ZDUSSCGKSA-N 1 2 332.448 3.576 20 0 EHADLO CC(C)(C)OC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511071412 1025218385 /nfs/dbraw/zinc/21/83/85/1025218385.db2.gz DUFYDZDMDQLVLN-QGZVFWFLSA-N 1 2 325.399 3.890 20 0 EHADLO CC(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000760081661 1025223794 /nfs/dbraw/zinc/22/37/94/1025223794.db2.gz LSKTVKJYFVHWPP-QGZVFWFLSA-N 1 2 342.443 3.631 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281555552 1025226641 /nfs/dbraw/zinc/22/66/41/1025226641.db2.gz XUDNUJQJGJFNHM-SFHVURJKSA-N 1 2 336.439 3.620 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281555552 1025226645 /nfs/dbraw/zinc/22/66/45/1025226645.db2.gz XUDNUJQJGJFNHM-SFHVURJKSA-N 1 2 336.439 3.620 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cs1 ZINC001141878888 1025228788 /nfs/dbraw/zinc/22/87/88/1025228788.db2.gz SCGNDOVUMHVKEQ-ZDUSSCGKSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cs1 ZINC001141878888 1025228795 /nfs/dbraw/zinc/22/87/95/1025228795.db2.gz SCGNDOVUMHVKEQ-ZDUSSCGKSA-N 1 2 327.375 3.764 20 0 EHADLO CC(C)[C@H](CNc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000505728092 1025242000 /nfs/dbraw/zinc/24/20/00/1025242000.db2.gz XMZUMJYIQSGFSS-AWEZNQCLSA-N 1 2 329.835 3.868 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)n1 ZINC000934287709 1025260194 /nfs/dbraw/zinc/26/01/94/1025260194.db2.gz QKVMPGHEXQWJBK-MRXNPFEDSA-N 1 2 347.484 3.900 20 0 EHADLO Cc1nc(N2CCC(c3nc4c(s3)CCC4)CC2)c(C)c(C)[nH+]1 ZINC000896232575 1025268716 /nfs/dbraw/zinc/26/87/16/1025268716.db2.gz LQNBHNUKFUSNEE-UHFFFAOYSA-N 1 2 328.485 3.731 20 0 EHADLO CC(C)C[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCCc2cccnc21 ZINC000425435297 1025275341 /nfs/dbraw/zinc/27/53/41/1025275341.db2.gz SBCQYBNHOUUZIS-ZDUSSCGKSA-N 1 2 336.386 3.938 20 0 EHADLO CC(C)C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCCc2cccnc21 ZINC000425435297 1025275354 /nfs/dbraw/zinc/27/53/54/1025275354.db2.gz SBCQYBNHOUUZIS-ZDUSSCGKSA-N 1 2 336.386 3.938 20 0 EHADLO Fc1cccc(Cn2cnc(C[NH2+][C@@H]3CCCc4ccccc43)n2)c1 ZINC000435989600 1025276573 /nfs/dbraw/zinc/27/65/73/1025276573.db2.gz LPGCWKAYEHWURB-LJQANCHMSA-N 1 2 336.414 3.633 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)[nH]1 ZINC000277478212 1025294051 /nfs/dbraw/zinc/29/40/51/1025294051.db2.gz SIDHUOSOEZTLOT-UWVGGRQHSA-N 1 2 342.365 3.910 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000521288049 1025310968 /nfs/dbraw/zinc/31/09/68/1025310968.db2.gz HYIYBQHWDMLHCP-IRXDYDNUSA-N 1 2 331.847 3.769 20 0 EHADLO C[C@@H](C(=O)N(Cc1ccsc1)c1ccccc1)[NH+]1CCSCC1 ZINC000442462735 1025328683 /nfs/dbraw/zinc/32/86/83/1025328683.db2.gz YRYMHDXXQBTNGP-HNNXBMFYSA-N 1 2 346.521 3.719 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436051009 1025332471 /nfs/dbraw/zinc/33/24/71/1025332471.db2.gz JTGOAKFHZJNFEM-DOTOQJQBSA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436051009 1025332488 /nfs/dbraw/zinc/33/24/88/1025332488.db2.gz JTGOAKFHZJNFEM-DOTOQJQBSA-N 1 2 349.837 3.681 20 0 EHADLO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000515554409 1025346804 /nfs/dbraw/zinc/34/68/04/1025346804.db2.gz CEBMVIWJUFLVSS-HNNXBMFYSA-N 1 2 329.444 3.583 20 0 EHADLO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000515554409 1025346817 /nfs/dbraw/zinc/34/68/17/1025346817.db2.gz CEBMVIWJUFLVSS-HNNXBMFYSA-N 1 2 329.444 3.583 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000346989913 1025392016 /nfs/dbraw/zinc/39/20/16/1025392016.db2.gz SWJJFMKNEYRMJH-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000346989913 1025392032 /nfs/dbraw/zinc/39/20/32/1025392032.db2.gz SWJJFMKNEYRMJH-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346993646 1025396132 /nfs/dbraw/zinc/39/61/32/1025396132.db2.gz WGUZAUHPMAKLKB-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346993646 1025396147 /nfs/dbraw/zinc/39/61/47/1025396147.db2.gz WGUZAUHPMAKLKB-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC12CCC2 ZINC000436112954 1025404552 /nfs/dbraw/zinc/40/45/52/1025404552.db2.gz SXGRJDQFKQKBSH-UHFFFAOYSA-N 1 2 334.489 3.679 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC(=O)c3ccccc32)ccc1Cl ZINC000281731115 1025429594 /nfs/dbraw/zinc/42/95/94/1025429594.db2.gz RXKIJDFXSNRPOE-MRXNPFEDSA-N 1 2 342.826 3.710 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000521502708 1025440734 /nfs/dbraw/zinc/44/07/34/1025440734.db2.gz AGHBTLXREJGFCL-INIZCTEOSA-N 1 2 347.377 3.631 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000521502708 1025440742 /nfs/dbraw/zinc/44/07/42/1025440742.db2.gz AGHBTLXREJGFCL-INIZCTEOSA-N 1 2 347.377 3.631 20 0 EHADLO COc1cccc2c(NCc3cccc(C(=O)NC4CC4)c3)cc[nH+]c12 ZINC000436187806 1025441039 /nfs/dbraw/zinc/44/10/39/1025441039.db2.gz LLHTWVSBYHYJQL-UHFFFAOYSA-N 1 2 347.418 3.748 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(OC)cc32)[nH]1 ZINC000281762471 1025451581 /nfs/dbraw/zinc/45/15/81/1025451581.db2.gz WKMQILNREXEHRZ-RWSFTLGLSA-N 1 2 332.423 3.804 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccncc1F ZINC000436194039 1025465132 /nfs/dbraw/zinc/46/51/32/1025465132.db2.gz CBLVVZLXPUDCCL-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO O=C(CCCC1CCOCC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281784310 1025498893 /nfs/dbraw/zinc/49/88/93/1025498893.db2.gz HKNASLBPVLCOCQ-UHFFFAOYSA-N 1 2 331.391 3.547 20 0 EHADLO CC1=CCC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000436250118 1025508407 /nfs/dbraw/zinc/50/84/07/1025508407.db2.gz BLXJFYZEFVBJHE-OAHLLOKOSA-N 1 2 333.501 3.849 20 0 EHADLO CC1=CCC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000436250118 1025508421 /nfs/dbraw/zinc/50/84/21/1025508421.db2.gz BLXJFYZEFVBJHE-OAHLLOKOSA-N 1 2 333.501 3.849 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc21 ZINC000303652307 1025579185 /nfs/dbraw/zinc/57/91/85/1025579185.db2.gz BKKCJEMFRCHLAY-UHFFFAOYSA-N 1 2 348.381 3.731 20 0 EHADLO Cc1[nH]nc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000522813603 1025603000 /nfs/dbraw/zinc/60/30/00/1025603000.db2.gz ROMUUCNCOSYWQK-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000892223220 1025612146 /nfs/dbraw/zinc/61/21/46/1025612146.db2.gz GUGSIDVHAJSDIN-UHFFFAOYSA-N 1 2 337.798 3.872 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000892223220 1025612153 /nfs/dbraw/zinc/61/21/53/1025612153.db2.gz GUGSIDVHAJSDIN-UHFFFAOYSA-N 1 2 337.798 3.872 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OCC ZINC000277525320 1025666759 /nfs/dbraw/zinc/66/67/59/1025666759.db2.gz XUOSWGDIRVAFRL-ZIAGYGMSSA-N 1 2 346.475 3.966 20 0 EHADLO COc1ccccc1[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000530366388 1025710016 /nfs/dbraw/zinc/71/00/16/1025710016.db2.gz ZPVXZJCAGJULHG-JYJNAYRXSA-N 1 2 341.455 3.877 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H](c2cccs2)C2CC2)cs1)C1CC1 ZINC000342469878 1025712271 /nfs/dbraw/zinc/71/22/71/1025712271.db2.gz HDCYDWSUWLPDFB-INIZCTEOSA-N 1 2 347.509 3.961 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@@H]([NH2+]Cc1cnc(C3CC3)nc1)CCC2 ZINC000521844824 1025714838 /nfs/dbraw/zinc/71/48/38/1025714838.db2.gz MPJWTGPASDRGLF-SFHVURJKSA-N 1 2 337.471 3.833 20 0 EHADLO COc1ccc(COCCNc2cc[nH+]c3c(OC)cccc23)cc1 ZINC000436442074 1025727920 /nfs/dbraw/zinc/72/79/20/1025727920.db2.gz LXDDJVUUMUVDNS-UHFFFAOYSA-N 1 2 338.407 3.881 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc([S@@](C)=O)cc1 ZINC000342475099 1025744666 /nfs/dbraw/zinc/74/46/66/1025744666.db2.gz YCQJBJMRGCXHQM-LFPIHBKWSA-N 1 2 340.448 3.930 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000366642972 1025759082 /nfs/dbraw/zinc/75/90/82/1025759082.db2.gz PJSQPKQSPPHPLW-LJQANCHMSA-N 1 2 345.446 3.790 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000081317322 1025760101 /nfs/dbraw/zinc/76/01/01/1025760101.db2.gz RILARYXUEYKYRP-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(-c3cc[nH]n3)cc1)C2 ZINC000530422142 1025793597 /nfs/dbraw/zinc/79/35/97/1025793597.db2.gz WPCOUOPNASWORT-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(-c3cc[nH]n3)cc1)CC2 ZINC000530422142 1025793606 /nfs/dbraw/zinc/79/36/06/1025793606.db2.gz WPCOUOPNASWORT-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO COc1cccc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000530471537 1025882786 /nfs/dbraw/zinc/88/27/86/1025882786.db2.gz FVQYNEFREMXLHJ-OWCLPIDISA-N 1 2 341.455 3.877 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(O)cc2)no1)c1cccc(Cl)c1 ZINC000436563468 1025889527 /nfs/dbraw/zinc/88/95/27/1025889527.db2.gz HJWMKCCIBWLCKC-OAHLLOKOSA-N 1 2 329.787 3.747 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000121825211 1025893145 /nfs/dbraw/zinc/89/31/45/1025893145.db2.gz UKLBKZRPHQISTA-UUOWRZLLSA-N 1 2 340.448 3.551 20 0 EHADLO CCCCN(CCCC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522479949 1025914989 /nfs/dbraw/zinc/91/49/89/1025914989.db2.gz VZMVSUWECUIXGT-UHFFFAOYSA-N 1 2 328.460 3.984 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000665467962 1025957180 /nfs/dbraw/zinc/95/71/80/1025957180.db2.gz NQTVYGZZBLIXMQ-LJQANCHMSA-N 1 2 346.434 3.518 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)[nH+]c1C ZINC000896916386 1025997563 /nfs/dbraw/zinc/99/75/63/1025997563.db2.gz XNAHINXHDBBFTB-MRVPVSSYSA-N 1 2 326.227 3.753 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)[nH+]c12 ZINC000522961619 1026004996 /nfs/dbraw/zinc/00/49/96/1026004996.db2.gz LBMBPCUQYZSRQL-AWEZNQCLSA-N 1 2 325.387 3.544 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C)cc2Cl)c1C ZINC000191207230 1026026945 /nfs/dbraw/zinc/02/69/45/1026026945.db2.gz KIBCYGNGYCDHQR-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896920881 1026036984 /nfs/dbraw/zinc/03/69/84/1026036984.db2.gz VVBOTBJGMYYOTA-OLZOCXBDSA-N 1 2 338.238 3.753 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896919850 1026047765 /nfs/dbraw/zinc/04/77/65/1026047765.db2.gz BSFSCKNDBIYEII-VIFPVBQESA-N 1 2 340.254 3.828 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)[nH+]c1C ZINC000896924614 1026052938 /nfs/dbraw/zinc/05/29/38/1026052938.db2.gz ZYIVXRSXJQVLLG-OAHLLOKOSA-N 1 2 329.444 3.542 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c[nH+]1 ZINC000896824597 1026097748 /nfs/dbraw/zinc/09/77/48/1026097748.db2.gz ZKMWKTYVAFXVMW-UHFFFAOYSA-N 1 2 349.434 3.772 20 0 EHADLO CC1CC[NH+](CCCNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436747007 1026136161 /nfs/dbraw/zinc/13/61/61/1026136161.db2.gz JPXZTZBWRIKAKJ-UHFFFAOYSA-N 1 2 345.270 3.551 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000896982632 1026204362 /nfs/dbraw/zinc/20/43/62/1026204362.db2.gz UOAMSHQYGGMPRZ-IEBWSBKVSA-N 1 2 325.456 3.706 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2nnc(-c3ccccc3)s2)c1C ZINC000530717748 1026242549 /nfs/dbraw/zinc/24/25/49/1026242549.db2.gz VZFAUJBUOIGQQY-UHFFFAOYSA-N 1 2 340.452 3.862 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCCC[C@@H]2CC)s1 ZINC000122150417 1026255952 /nfs/dbraw/zinc/25/59/52/1026255952.db2.gz XHDVXUDEOXFSNJ-CABCVRRESA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCCC[C@@H]2CC)s1 ZINC000122150417 1026255959 /nfs/dbraw/zinc/25/59/59/1026255959.db2.gz XHDVXUDEOXFSNJ-CABCVRRESA-N 1 2 337.533 3.798 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827843 1026313464 /nfs/dbraw/zinc/31/34/64/1026313464.db2.gz AMCSNMUAGZSAKJ-CVYDXHPNSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827843 1026313477 /nfs/dbraw/zinc/31/34/77/1026313477.db2.gz AMCSNMUAGZSAKJ-CVYDXHPNSA-N 1 2 330.472 3.890 20 0 EHADLO CCC[N@H+](Cc1nc(N(C)C)no1)[C@@H](C)c1cc2ccccc2o1 ZINC000192700662 1026325566 /nfs/dbraw/zinc/32/55/66/1026325566.db2.gz URDFZKKMPWZYIQ-ZDUSSCGKSA-N 1 2 328.416 3.855 20 0 EHADLO CCC[N@@H+](Cc1nc(N(C)C)no1)[C@@H](C)c1cc2ccccc2o1 ZINC000192700662 1026325575 /nfs/dbraw/zinc/32/55/75/1026325575.db2.gz URDFZKKMPWZYIQ-ZDUSSCGKSA-N 1 2 328.416 3.855 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000451846216 1026339433 /nfs/dbraw/zinc/33/94/33/1026339433.db2.gz WESGYILUJHQNAK-UWVAXJGDSA-N 1 2 342.483 3.988 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000451846216 1026339445 /nfs/dbraw/zinc/33/94/45/1026339445.db2.gz WESGYILUJHQNAK-UWVAXJGDSA-N 1 2 342.483 3.988 20 0 EHADLO Fc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1F ZINC001142005755 1026421735 /nfs/dbraw/zinc/42/17/35/1026421735.db2.gz ISAXJVXHBPBFHZ-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1cc(Br)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1F ZINC001142005755 1026421739 /nfs/dbraw/zinc/42/17/39/1026421739.db2.gz ISAXJVXHBPBFHZ-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(COC)o1 ZINC000158972080 1026424788 /nfs/dbraw/zinc/42/47/88/1026424788.db2.gz AORKIPZOHVXWSU-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C2CC2)O1 ZINC000475280440 1026430816 /nfs/dbraw/zinc/43/08/16/1026430816.db2.gz NOZIHEVNIIWRQI-AUUYWEPGSA-N 1 2 334.891 3.940 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C2CC2)O1 ZINC000475280440 1026430818 /nfs/dbraw/zinc/43/08/18/1026430818.db2.gz NOZIHEVNIIWRQI-AUUYWEPGSA-N 1 2 334.891 3.940 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000152603259 1026435677 /nfs/dbraw/zinc/43/56/77/1026435677.db2.gz QTNAZTVOYXWNAO-CYBMUJFWSA-N 1 2 344.440 3.858 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000152603259 1026435680 /nfs/dbraw/zinc/43/56/80/1026435680.db2.gz QTNAZTVOYXWNAO-CYBMUJFWSA-N 1 2 344.440 3.858 20 0 EHADLO CCOc1ccc(N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000342603250 1026437096 /nfs/dbraw/zinc/43/70/96/1026437096.db2.gz XAQIETYJBBBXJS-UHFFFAOYSA-N 1 2 335.407 3.938 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)Cc1ccnn1C ZINC000475329215 1026481595 /nfs/dbraw/zinc/48/15/95/1026481595.db2.gz ACJYBZKFNXYSCW-HNNXBMFYSA-N 1 2 332.467 3.674 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1ccnn1C ZINC000475329215 1026481603 /nfs/dbraw/zinc/48/16/03/1026481603.db2.gz ACJYBZKFNXYSCW-HNNXBMFYSA-N 1 2 332.467 3.674 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCn1cc[nH+]c1 ZINC000523018460 1026505431 /nfs/dbraw/zinc/50/54/31/1026505431.db2.gz KGEDQYBAPBPDOZ-UHFFFAOYSA-N 1 2 327.472 3.546 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC=CCC3)n2)C1 ZINC000523023543 1026579243 /nfs/dbraw/zinc/57/92/43/1026579243.db2.gz OUUSAHUPZDZUKM-KGLIPLIRSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC=CCC3)n2)C1 ZINC000523023543 1026579252 /nfs/dbraw/zinc/57/92/52/1026579252.db2.gz OUUSAHUPZDZUKM-KGLIPLIRSA-N 1 2 334.489 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC000277697497 1026599217 /nfs/dbraw/zinc/59/92/17/1026599217.db2.gz XUOWHJAOYSMKBI-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335002 1026663924 /nfs/dbraw/zinc/66/39/24/1026663924.db2.gz OQLGGXHEPQKLFC-AWEZNQCLSA-N 1 2 329.469 3.727 20 0 EHADLO O=C(CCc1cccc(C(F)(F)F)c1)Nc1c[nH+]c2n1CCCC2 ZINC000452332316 1026664279 /nfs/dbraw/zinc/66/42/79/1026664279.db2.gz HAQVGUAONMFHGL-UHFFFAOYSA-N 1 2 337.345 3.810 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc(-n3cncn3)cc2)nc(C(C)C)[nH+]1 ZINC000301060771 1026671070 /nfs/dbraw/zinc/67/10/70/1026671070.db2.gz KWCWHWJRCNRSKD-OAHLLOKOSA-N 1 2 336.443 3.687 20 0 EHADLO O=C(CCCCC(=O)c1ccc(F)cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452337395 1026691321 /nfs/dbraw/zinc/69/13/21/1026691321.db2.gz ZVCCWLKBOWGOOL-UHFFFAOYSA-N 1 2 343.402 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(Br)cc1 ZINC000639580354 1026693304 /nfs/dbraw/zinc/69/33/04/1026693304.db2.gz RBFFHUQREWEWBU-JTQLQIEISA-N 1 2 336.233 3.950 20 0 EHADLO CCOc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000301197228 1026719439 /nfs/dbraw/zinc/71/94/39/1026719439.db2.gz ZPHYZVFEBDLJJR-UHFFFAOYSA-N 1 2 330.407 3.617 20 0 EHADLO CCOc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000301197228 1026719451 /nfs/dbraw/zinc/71/94/51/1026719451.db2.gz ZPHYZVFEBDLJJR-UHFFFAOYSA-N 1 2 330.407 3.617 20 0 EHADLO CSCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000452494625 1026790134 /nfs/dbraw/zinc/79/01/34/1026790134.db2.gz WQLWFTOOQQHEID-UHFFFAOYSA-N 1 2 329.469 3.524 20 0 EHADLO COCc1nc(C)cc(Nc2ccc([NH+]3CCC(C)CC3)cc2)n1 ZINC000301439017 1026807418 /nfs/dbraw/zinc/80/74/18/1026807418.db2.gz UHUMOZMZVFDQJN-UHFFFAOYSA-N 1 2 326.444 3.911 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ccnc(C4CC4)n3)CC2)cc1 ZINC000301483755 1026824514 /nfs/dbraw/zinc/82/45/14/1026824514.db2.gz ZVGYJZXMESMFAI-UHFFFAOYSA-N 1 2 337.471 3.501 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccccn1 ZINC000161343418 1026831441 /nfs/dbraw/zinc/83/14/41/1026831441.db2.gz RKEXMLNQGILXSQ-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccccn1 ZINC000161343418 1026831448 /nfs/dbraw/zinc/83/14/48/1026831448.db2.gz RKEXMLNQGILXSQ-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CCO[C@H](c4ccccc4Cl)C3)ccc21 ZINC000342719919 1026834781 /nfs/dbraw/zinc/83/47/81/1026834781.db2.gz CYHYTJXEHYSTDR-IBGZPJMESA-N 1 2 341.842 3.800 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CCO[C@H](c4ccccc4Cl)C3)ccc21 ZINC000342719919 1026834793 /nfs/dbraw/zinc/83/47/93/1026834793.db2.gz CYHYTJXEHYSTDR-IBGZPJMESA-N 1 2 341.842 3.800 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CCO[C@@H](c4ccccc4Cl)C3)ccc21 ZINC000342719922 1026834894 /nfs/dbraw/zinc/83/48/94/1026834894.db2.gz CYHYTJXEHYSTDR-LJQANCHMSA-N 1 2 341.842 3.800 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CCO[C@@H](c4ccccc4Cl)C3)ccc21 ZINC000342719922 1026834902 /nfs/dbraw/zinc/83/49/02/1026834902.db2.gz CYHYTJXEHYSTDR-LJQANCHMSA-N 1 2 341.842 3.800 20 0 EHADLO Cc1nc(NCC2(c3ccccc3)CCOCC2)c2c([nH+]1)CCCC2 ZINC000301544364 1026848428 /nfs/dbraw/zinc/84/84/28/1026848428.db2.gz DGGBHCCOOKTBHF-UHFFFAOYSA-N 1 2 337.467 3.824 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000122904151 1026852032 /nfs/dbraw/zinc/85/20/32/1026852032.db2.gz QOEVGENMRRDNOG-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000122904151 1026852040 /nfs/dbraw/zinc/85/20/40/1026852040.db2.gz QOEVGENMRRDNOG-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO Cn1cc([C@@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccc(F)cc2)cn1 ZINC000684962905 1026865554 /nfs/dbraw/zinc/86/55/54/1026865554.db2.gz ZGNFYMOTYHZFCV-MOPGFXCFSA-N 1 2 336.414 3.711 20 0 EHADLO FC(F)(F)c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000301629106 1026881728 /nfs/dbraw/zinc/88/17/28/1026881728.db2.gz ICMABLIZNACWKG-GFCCVEGCSA-N 1 2 343.736 3.807 20 0 EHADLO COc1ccccc1C[C@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301810061 1026948171 /nfs/dbraw/zinc/94/81/71/1026948171.db2.gz DFNASAAXOMMHDD-QGZVFWFLSA-N 1 2 338.455 3.519 20 0 EHADLO COc1ccccc1C[C@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000301810061 1026948182 /nfs/dbraw/zinc/94/81/82/1026948182.db2.gz DFNASAAXOMMHDD-QGZVFWFLSA-N 1 2 338.455 3.519 20 0 EHADLO c1ccc([C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCS2)cc1 ZINC000301824910 1026951960 /nfs/dbraw/zinc/95/19/60/1026951960.db2.gz LYKVITMYBSJGRO-INIZCTEOSA-N 1 2 326.469 3.593 20 0 EHADLO c1ccc([C@@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCS2)cc1 ZINC000301824910 1026951969 /nfs/dbraw/zinc/95/19/69/1026951969.db2.gz LYKVITMYBSJGRO-INIZCTEOSA-N 1 2 326.469 3.593 20 0 EHADLO CN(Cc1cccc(Cl)c1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301827374 1026954370 /nfs/dbraw/zinc/95/43/70/1026954370.db2.gz FQSFLYDLICTNNR-UHFFFAOYSA-N 1 2 329.835 3.871 20 0 EHADLO c1ccc(-c2cccc(CNc3cc(NCC4CC4)[nH+]cn3)c2)nc1 ZINC000301836736 1026958691 /nfs/dbraw/zinc/95/86/91/1026958691.db2.gz VKZIVDLBCMZMNX-UHFFFAOYSA-N 1 2 331.423 3.973 20 0 EHADLO c1ccc(-c2cccc(CNc3cc(NCC4CC4)nc[nH+]3)c2)nc1 ZINC000301836736 1026958696 /nfs/dbraw/zinc/95/86/96/1026958696.db2.gz VKZIVDLBCMZMNX-UHFFFAOYSA-N 1 2 331.423 3.973 20 0 EHADLO Nc1nc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)[nH+]c2ccccc12 ZINC000301867995 1026970772 /nfs/dbraw/zinc/97/07/72/1026970772.db2.gz DWPGQKPTJAOZFQ-CQSZACIVSA-N 1 2 349.221 3.664 20 0 EHADLO CC(C)c1cc(NCCNC(=O)c2ccccc2F)nc(C(C)C)[nH+]1 ZINC000301869420 1026972701 /nfs/dbraw/zinc/97/27/01/1026972701.db2.gz JIXMOMWSTLLLSF-UHFFFAOYSA-N 1 2 344.434 3.704 20 0 EHADLO CN(C[C@H]1CCC[C@@H]1O)c1cc[nH+]c2c(Br)cccc12 ZINC000301875441 1026975142 /nfs/dbraw/zinc/97/51/42/1026975142.db2.gz YDMMCQBHALMYCA-ABAIWWIYSA-N 1 2 335.245 3.595 20 0 EHADLO COc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1F ZINC000301880849 1026975856 /nfs/dbraw/zinc/97/58/56/1026975856.db2.gz KACOMVGNPGGBRI-LLVKDONJSA-N 1 2 343.406 3.902 20 0 EHADLO CC(C)CC(=O)Nc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301878539 1026976419 /nfs/dbraw/zinc/97/64/19/1026976419.db2.gz LEDWFEXYKJHILG-UHFFFAOYSA-N 1 2 349.438 3.809 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000301884000 1026978248 /nfs/dbraw/zinc/97/82/48/1026978248.db2.gz NTOJKLWPWVFKQG-ZDUSSCGKSA-N 1 2 347.422 3.512 20 0 EHADLO Nc1nc(NC[C@H](O)c2ccc3ccccc3c2)[nH+]c2ccccc12 ZINC000301887826 1026980133 /nfs/dbraw/zinc/98/01/33/1026980133.db2.gz KRNTUKMFNVVAKP-SFHVURJKSA-N 1 2 330.391 3.511 20 0 EHADLO Nc1nc(NCc2ccc(OC3CCCC3)nc2)[nH+]c2ccccc12 ZINC000301898314 1026985362 /nfs/dbraw/zinc/98/53/62/1026985362.db2.gz WRICNFDJKCOPCR-UHFFFAOYSA-N 1 2 335.411 3.541 20 0 EHADLO CCc1ncnc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1F ZINC000301909657 1026990032 /nfs/dbraw/zinc/99/00/32/1026990032.db2.gz FTJGDIGYRXMSID-ZDUSSCGKSA-N 1 2 348.853 3.715 20 0 EHADLO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1OC(F)(F)F ZINC001143446216 1026991336 /nfs/dbraw/zinc/99/13/36/1026991336.db2.gz AMUXYXPGIJMWFH-SNVBAGLBSA-N 1 2 339.329 3.754 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2nc(-c3ccc(F)cc3)c[nH]2)n1C ZINC000342771979 1027003381 /nfs/dbraw/zinc/00/33/81/1027003381.db2.gz AHHPGLUNWVUXSU-QGZVFWFLSA-N 1 2 339.418 3.595 20 0 EHADLO COC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccc(F)c(F)c1 ZINC000302078041 1027046994 /nfs/dbraw/zinc/04/69/94/1027046994.db2.gz HZISALBDQBGGJU-QGZVFWFLSA-N 1 2 333.382 3.742 20 0 EHADLO CCc1nc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000342786813 1027062162 /nfs/dbraw/zinc/06/21/62/1027062162.db2.gz VLWVJQOTDZEQQU-KRWDZBQOSA-N 1 2 329.419 3.672 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000125569527 1027092422 /nfs/dbraw/zinc/09/24/22/1027092422.db2.gz WIXJCTYFVVLMBC-OAQYLSRUSA-N 1 2 345.446 3.663 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125606336 1027096432 /nfs/dbraw/zinc/09/64/32/1027096432.db2.gz XHZHZSZDRHGFTI-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125606336 1027096445 /nfs/dbraw/zinc/09/64/45/1027096445.db2.gz XHZHZSZDRHGFTI-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000272797623 1027122574 /nfs/dbraw/zinc/12/25/74/1027122574.db2.gz DGJFMXMKLHLQKD-CYBMUJFWSA-N 1 2 326.444 3.658 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cs1 ZINC000657549276 1027122994 /nfs/dbraw/zinc/12/29/94/1027122994.db2.gz APLPPWDBNDSJNQ-UHFFFAOYSA-N 1 2 330.379 3.539 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000075534250 1027144934 /nfs/dbraw/zinc/14/49/34/1027144934.db2.gz IAHDOHBGDOYLIR-UONOGXRCSA-N 1 2 347.846 3.545 20 0 EHADLO CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272846523 1027146446 /nfs/dbraw/zinc/14/64/46/1027146446.db2.gz ZISRHDRLDDILJD-KDOFPFPSSA-N 1 2 345.418 3.791 20 0 EHADLO CCc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000501263795 1027162544 /nfs/dbraw/zinc/16/25/44/1027162544.db2.gz HZANBXWJKBLHQP-UHFFFAOYSA-N 1 2 330.407 3.797 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272903134 1027168454 /nfs/dbraw/zinc/16/84/54/1027168454.db2.gz GIHYMYAPGQHZPR-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272903134 1027168464 /nfs/dbraw/zinc/16/84/64/1027168464.db2.gz GIHYMYAPGQHZPR-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552595 1027168926 /nfs/dbraw/zinc/16/89/26/1027168926.db2.gz GYZFIKCHZZSNRE-JKSUJKDBSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1nc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC000302541020 1027186461 /nfs/dbraw/zinc/18/64/61/1027186461.db2.gz NVPSMBTUTGGSQZ-WBMJQRKESA-N 1 2 343.393 3.559 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342802882 1027191233 /nfs/dbraw/zinc/19/12/33/1027191233.db2.gz RMRBSDGOHLGFJU-YLJYHZDGSA-N 1 2 325.456 3.970 20 0 EHADLO c1coc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCCO3)c1 ZINC000272958117 1027196514 /nfs/dbraw/zinc/19/65/14/1027196514.db2.gz WOLFWDMKEFSFSX-UHFFFAOYSA-N 1 2 336.391 3.648 20 0 EHADLO c1coc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCCO3)c1 ZINC000272958117 1027196524 /nfs/dbraw/zinc/19/65/24/1027196524.db2.gz WOLFWDMKEFSFSX-UHFFFAOYSA-N 1 2 336.391 3.648 20 0 EHADLO COc1cccc2c(NC[C@@](C)(O)c3ccc(F)cc3)cc[nH+]c12 ZINC000302573168 1027202323 /nfs/dbraw/zinc/20/23/23/1027202323.db2.gz ZPXRHDSQSKMLJU-LJQANCHMSA-N 1 2 326.371 3.702 20 0 EHADLO CNC(=O)c1ccc(CN(C)c2c(C)c[nH+]c3c(OC)cccc32)cc1 ZINC000302586758 1027205259 /nfs/dbraw/zinc/20/52/59/1027205259.db2.gz ABNCFVQUTDBZIU-UHFFFAOYSA-N 1 2 349.434 3.548 20 0 EHADLO C[N@@H+]1CC[C@H](Nc2ncncc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302619436 1027214400 /nfs/dbraw/zinc/21/44/00/1027214400.db2.gz GOZNLCPGPUQCBR-KBPBESRZSA-N 1 2 341.217 3.780 20 0 EHADLO C[N@H+]1CC[C@H](Nc2ncncc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302619436 1027214419 /nfs/dbraw/zinc/21/44/19/1027214419.db2.gz GOZNLCPGPUQCBR-KBPBESRZSA-N 1 2 341.217 3.780 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1ccc(C)cn1 ZINC000302658006 1027226088 /nfs/dbraw/zinc/22/60/88/1027226088.db2.gz HUZLJMRBCWJZBX-UHFFFAOYSA-N 1 2 335.407 3.751 20 0 EHADLO c1ccc(Cc2nc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)no2)cc1 ZINC000075831748 1027229109 /nfs/dbraw/zinc/22/91/09/1027229109.db2.gz XXFWRPRXGLYDTP-SFHVURJKSA-N 1 2 341.455 3.584 20 0 EHADLO c1ccc(Cc2nc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)no2)cc1 ZINC000075831748 1027229124 /nfs/dbraw/zinc/22/91/24/1027229124.db2.gz XXFWRPRXGLYDTP-SFHVURJKSA-N 1 2 341.455 3.584 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H]3c3cccc(C)n3)ccc2[nH+]1 ZINC000531713248 1027238848 /nfs/dbraw/zinc/23/88/48/1027238848.db2.gz VXYLTNSYKRVENV-KRWDZBQOSA-N 1 2 335.411 3.715 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(NC4CC4)[nH+]cn3)CCO2)cc1 ZINC000665711569 1027257854 /nfs/dbraw/zinc/25/78/54/1027257854.db2.gz XCTNOXPXIUMYCJ-HZPDHXFCSA-N 1 2 328.391 3.522 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(NC4CC4)nc[nH+]3)CCO2)cc1 ZINC000665711569 1027257871 /nfs/dbraw/zinc/25/78/71/1027257871.db2.gz XCTNOXPXIUMYCJ-HZPDHXFCSA-N 1 2 328.391 3.522 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429390 1027278227 /nfs/dbraw/zinc/27/82/27/1027278227.db2.gz YCANIKOXEXSOBQ-BMIGLBTASA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429390 1027278243 /nfs/dbraw/zinc/27/82/43/1027278243.db2.gz YCANIKOXEXSOBQ-BMIGLBTASA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1nc2c(s1)CCCC2 ZINC000342808030 1027278229 /nfs/dbraw/zinc/27/82/29/1027278229.db2.gz JFDRNXBYHZNURA-LBPRGKRZSA-N 1 2 326.469 3.792 20 0 EHADLO Cc1ccc(SCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302775042 1027283959 /nfs/dbraw/zinc/28/39/59/1027283959.db2.gz FARQSXKTEZKNGQ-UHFFFAOYSA-N 1 2 346.525 3.542 20 0 EHADLO Cc1ccc(SCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302775042 1027283970 /nfs/dbraw/zinc/28/39/70/1027283970.db2.gz FARQSXKTEZKNGQ-UHFFFAOYSA-N 1 2 346.525 3.542 20 0 EHADLO Cc1ccc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000076424599 1027284102 /nfs/dbraw/zinc/28/41/02/1027284102.db2.gz FGTFWJSPVGRNIT-UHFFFAOYSA-N 1 2 340.452 3.584 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)[nH]1 ZINC000655753627 1027303761 /nfs/dbraw/zinc/30/37/61/1027303761.db2.gz ADXJKBMGHNVQLX-ZDUSSCGKSA-N 1 2 341.484 3.958 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2nc(C)no2)C(C)C)cc1OCC ZINC000127398354 1027305156 /nfs/dbraw/zinc/30/51/56/1027305156.db2.gz KRYGPNNWGPVZFJ-SFHVURJKSA-N 1 2 333.432 3.662 20 0 EHADLO Fc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302824708 1027312054 /nfs/dbraw/zinc/31/20/54/1027312054.db2.gz GKJDWMGVDCGTFN-INIZCTEOSA-N 1 2 344.459 3.658 20 0 EHADLO Fc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302824708 1027312073 /nfs/dbraw/zinc/31/20/73/1027312073.db2.gz GKJDWMGVDCGTFN-INIZCTEOSA-N 1 2 344.459 3.658 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1ccccc1Cl ZINC000302872719 1027337287 /nfs/dbraw/zinc/33/72/87/1027337287.db2.gz CDCMSQGAUSVNLJ-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1ccccc1Cl ZINC000302872719 1027337294 /nfs/dbraw/zinc/33/72/94/1027337294.db2.gz CDCMSQGAUSVNLJ-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1C ZINC000302873303 1027338090 /nfs/dbraw/zinc/33/80/90/1027338090.db2.gz CPMKKYUVFIMPEI-DLBZAZTESA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1C ZINC000302873303 1027338095 /nfs/dbraw/zinc/33/80/95/1027338095.db2.gz CPMKKYUVFIMPEI-DLBZAZTESA-N 1 2 340.471 3.618 20 0 EHADLO CCOc1nnc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000076692877 1027344142 /nfs/dbraw/zinc/34/41/42/1027344142.db2.gz JTOQANGCELYUQF-UHFFFAOYSA-N 1 2 345.390 3.981 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000076730170 1027348304 /nfs/dbraw/zinc/34/83/04/1027348304.db2.gz MDQUMOKVOISPKZ-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000076730170 1027348313 /nfs/dbraw/zinc/34/83/13/1027348313.db2.gz MDQUMOKVOISPKZ-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)ccc1OC ZINC000657567399 1027349307 /nfs/dbraw/zinc/34/93/07/1027349307.db2.gz AXHNMIZSKCXZPE-GOEBONIOSA-N 1 2 344.459 3.651 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)ccn1 ZINC000453121547 1027396548 /nfs/dbraw/zinc/39/65/48/1027396548.db2.gz XNNOBOQEKAKOML-HLLBOEOZSA-N 1 2 328.460 3.887 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000077349003 1027398354 /nfs/dbraw/zinc/39/83/54/1027398354.db2.gz XIIVZSFIZFKBFF-LBPRGKRZSA-N 1 2 338.814 3.516 20 0 EHADLO CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454226003 1027419362 /nfs/dbraw/zinc/41/93/62/1027419362.db2.gz ROYIEYDRJKJPIG-DLBZAZTESA-N 1 2 340.471 3.557 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)CC2 ZINC000453140821 1027449777 /nfs/dbraw/zinc/44/97/77/1027449777.db2.gz ZLMDOGCBXGPPET-WOJBJXKFSA-N 1 2 333.435 3.876 20 0 EHADLO Clc1ccc(-c2nc(C[NH2+][C@@H]3CCc4cn[nH]c4C3)cs2)cc1 ZINC000531818520 1027461837 /nfs/dbraw/zinc/46/18/37/1027461837.db2.gz YANYUDOTNQFGSD-CQSZACIVSA-N 1 2 344.871 3.834 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000513720730 1027496628 /nfs/dbraw/zinc/49/66/28/1027496628.db2.gz OBHJXAVCGDZGCB-GOSISDBHSA-N 1 2 344.499 3.556 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977139 1027505747 /nfs/dbraw/zinc/50/57/47/1027505747.db2.gz PHZGHDWGXMBIME-YJBOKZPZSA-N 1 2 349.434 3.670 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977139 1027505765 /nfs/dbraw/zinc/50/57/65/1027505765.db2.gz PHZGHDWGXMBIME-YJBOKZPZSA-N 1 2 349.434 3.670 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2C)s1 ZINC000414454566 1027519495 /nfs/dbraw/zinc/51/94/95/1027519495.db2.gz DHVRWYKNAQZLKS-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO Cc1ccccc1[C@H](c1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497673 1027566418 /nfs/dbraw/zinc/56/64/18/1027566418.db2.gz KQEOSNHFKMXUBV-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccccc1[C@H](c1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497673 1027566428 /nfs/dbraw/zinc/56/64/28/1027566428.db2.gz KQEOSNHFKMXUBV-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000129587262 1027575826 /nfs/dbraw/zinc/57/58/26/1027575826.db2.gz UWRIVFOHHNOWDO-OAHLLOKOSA-N 1 2 333.338 3.704 20 0 EHADLO CC(C)(C)c1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)no1 ZINC000582753529 1027580270 /nfs/dbraw/zinc/58/02/70/1027580270.db2.gz HPTZTZCIEBNHLU-UHFFFAOYSA-N 1 2 335.492 3.537 20 0 EHADLO O=C(Nc1cc(F)ccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000129785159 1027600042 /nfs/dbraw/zinc/60/00/42/1027600042.db2.gz PHNBVJTUNMSEOV-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO Cc1cccc([C@H](c2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500571 1027603544 /nfs/dbraw/zinc/60/35/44/1027603544.db2.gz SUBHXJMLPOWUPC-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1cccc([C@H](c2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500571 1027603552 /nfs/dbraw/zinc/60/35/52/1027603552.db2.gz SUBHXJMLPOWUPC-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342845267 1027617163 /nfs/dbraw/zinc/61/71/63/1027617163.db2.gz XBOZXPWXVNUCHA-QRWLVFNGSA-N 1 2 331.419 3.926 20 0 EHADLO Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cc(C)[nH+]c(C)c1)CCC2 ZINC000422207024 1027638768 /nfs/dbraw/zinc/63/87/68/1027638768.db2.gz LTKXHLXXWNFGAJ-INIZCTEOSA-N 1 2 344.484 3.682 20 0 EHADLO O=C1OC[C@H](Cc2ccccc2)N1C[N@H+](Cc1cccs1)C1CC1 ZINC000303816189 1027663537 /nfs/dbraw/zinc/66/35/37/1027663537.db2.gz WIBPJCRHXIZWBW-KRWDZBQOSA-N 1 2 342.464 3.734 20 0 EHADLO O=C1OC[C@H](Cc2ccccc2)N1C[N@@H+](Cc1cccs1)C1CC1 ZINC000303816189 1027663544 /nfs/dbraw/zinc/66/35/44/1027663544.db2.gz WIBPJCRHXIZWBW-KRWDZBQOSA-N 1 2 342.464 3.734 20 0 EHADLO OCC[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000420641550 1027665565 /nfs/dbraw/zinc/66/55/65/1027665565.db2.gz NTZQIULYFYTIEI-ZDUSSCGKSA-N 1 2 349.272 3.986 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000422252384 1027671672 /nfs/dbraw/zinc/67/16/72/1027671672.db2.gz BGOCQOLDHJJQID-INIZCTEOSA-N 1 2 348.397 3.626 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N([C@H](C)C(C)C)C3CC3)cn2c1 ZINC000513725719 1027683352 /nfs/dbraw/zinc/68/33/52/1027683352.db2.gz RSOZWSUUQVBNHW-OAHLLOKOSA-N 1 2 345.512 3.911 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000072771437 1027692507 /nfs/dbraw/zinc/69/25/07/1027692507.db2.gz WSBMBXRGQWHTAO-FRRDWIJNSA-N 1 2 326.893 3.801 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(Cl)c1 ZINC000072771437 1027692515 /nfs/dbraw/zinc/69/25/15/1027692515.db2.gz WSBMBXRGQWHTAO-FRRDWIJNSA-N 1 2 326.893 3.801 20 0 EHADLO Nc1cc(CNc2ccc(OC(F)(F)C(F)(F)F)cc2)cc[nH+]1 ZINC001167616297 1027694139 /nfs/dbraw/zinc/69/41/39/1027694139.db2.gz FHMNIIHWQIQFLF-UHFFFAOYSA-N 1 2 333.260 3.810 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000130833567 1027706274 /nfs/dbraw/zinc/70/62/74/1027706274.db2.gz RGPZNDWCNNFLAW-GUTXKFCHSA-N 1 2 337.533 3.796 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000130833567 1027706283 /nfs/dbraw/zinc/70/62/83/1027706283.db2.gz RGPZNDWCNNFLAW-GUTXKFCHSA-N 1 2 337.533 3.796 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420785150 1027732027 /nfs/dbraw/zinc/73/20/27/1027732027.db2.gz YHWCLRGWQWDQLW-OAHLLOKOSA-N 1 2 327.428 3.658 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000533380267 1027741678 /nfs/dbraw/zinc/74/16/78/1027741678.db2.gz MXRTXJWHWBGDHM-HNNXBMFYSA-N 1 2 345.361 3.544 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000533380267 1027741697 /nfs/dbraw/zinc/74/16/97/1027741697.db2.gz MXRTXJWHWBGDHM-HNNXBMFYSA-N 1 2 345.361 3.544 20 0 EHADLO Cc1cc(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)cc(C)[nH+]1 ZINC000420821419 1027755843 /nfs/dbraw/zinc/75/58/43/1027755843.db2.gz RGOPNPORJQBKHM-UHFFFAOYSA-N 1 2 345.393 3.508 20 0 EHADLO Cc1nc2ccccc2n1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000131324166 1027767818 /nfs/dbraw/zinc/76/78/18/1027767818.db2.gz PAXBYYQKMRMKAQ-UHFFFAOYSA-N 1 2 345.406 3.559 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000614800440 1027783654 /nfs/dbraw/zinc/78/36/54/1027783654.db2.gz PYGDFRSBBYTUBT-GPANFISMSA-N 1 2 343.389 3.729 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CCC(C2CC2)CC1 ZINC000665844632 1027789116 /nfs/dbraw/zinc/78/91/16/1027789116.db2.gz XVADIKRNRJOQAZ-UHFFFAOYSA-N 1 2 327.472 3.514 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccccn1 ZINC000119776305 1027796750 /nfs/dbraw/zinc/79/67/50/1027796750.db2.gz NAHMPXHKTYVRRA-SFHVURJKSA-N 1 2 345.512 3.869 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccccn1 ZINC000119776305 1027796760 /nfs/dbraw/zinc/79/67/60/1027796760.db2.gz NAHMPXHKTYVRRA-SFHVURJKSA-N 1 2 345.512 3.869 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](c3ccccc3F)C2)cc(C)[nH+]1 ZINC000420852836 1027797856 /nfs/dbraw/zinc/79/78/56/1027797856.db2.gz STXIGTMGUUBCOR-MRXNPFEDSA-N 1 2 327.403 3.537 20 0 EHADLO CCCCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H](C)CCC ZINC000422587857 1027798084 /nfs/dbraw/zinc/79/80/84/1027798084.db2.gz JBOVZMUJISRBTP-KRWDZBQOSA-N 1 2 347.503 3.522 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000338375980 1027800284 /nfs/dbraw/zinc/80/02/84/1027800284.db2.gz OGSJXLDSSSLYMK-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000338375980 1027800305 /nfs/dbraw/zinc/80/03/05/1027800305.db2.gz OGSJXLDSSSLYMK-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO C[C@@H](NCc1csc(-c2ccco2)n1)c1cn2c([nH+]1)CCCC2 ZINC000925281425 1027804546 /nfs/dbraw/zinc/80/45/46/1027804546.db2.gz KAHQWCBUINMMFC-GFCCVEGCSA-N 1 2 328.441 3.787 20 0 EHADLO C[C@@H]1CN(c2ccccc2CNc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000459349015 1027823568 /nfs/dbraw/zinc/82/35/68/1027823568.db2.gz SXPTXBKLFVKMFQ-QGZVFWFLSA-N 1 2 348.450 3.710 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)no1 ZINC000503517897 1027849436 /nfs/dbraw/zinc/84/94/36/1027849436.db2.gz TWTWYQDWNSTPON-SJORKVTESA-N 1 2 329.444 3.640 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2nccs2)o1 ZINC000533426387 1027852278 /nfs/dbraw/zinc/85/22/78/1027852278.db2.gz BAPNSIQVRRZOEU-AWEZNQCLSA-N 1 2 333.457 3.854 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2nccs2)o1 ZINC000533426387 1027852298 /nfs/dbraw/zinc/85/22/98/1027852298.db2.gz BAPNSIQVRRZOEU-AWEZNQCLSA-N 1 2 333.457 3.854 20 0 EHADLO CCOCc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110128832 1027854162 /nfs/dbraw/zinc/85/41/62/1027854162.db2.gz QBKGIUWERAXMEC-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO CCOCc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110128832 1027854188 /nfs/dbraw/zinc/85/41/88/1027854188.db2.gz QBKGIUWERAXMEC-UHFFFAOYSA-N 1 2 326.444 3.616 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000643477829 1027888390 /nfs/dbraw/zinc/88/83/90/1027888390.db2.gz KPLGZROOJKHZAH-BCDXTJNWSA-N 1 2 336.439 3.806 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000459356509 1027890864 /nfs/dbraw/zinc/89/08/64/1027890864.db2.gz CAUWNLGDHWNPQX-HXUWFJFHSA-N 1 2 345.414 3.812 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000459356509 1027890887 /nfs/dbraw/zinc/89/08/87/1027890887.db2.gz CAUWNLGDHWNPQX-HXUWFJFHSA-N 1 2 345.414 3.812 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1F ZINC000246171586 1027904883 /nfs/dbraw/zinc/90/48/83/1027904883.db2.gz FPMJXEUZXAGFID-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1F ZINC000246171586 1027904896 /nfs/dbraw/zinc/90/48/96/1027904896.db2.gz FPMJXEUZXAGFID-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000503570678 1027911396 /nfs/dbraw/zinc/91/13/96/1027911396.db2.gz JYVSKHYLTABOPX-AJUBHRLLSA-N 1 2 345.430 3.809 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000503570678 1027911416 /nfs/dbraw/zinc/91/14/16/1027911416.db2.gz JYVSKHYLTABOPX-AJUBHRLLSA-N 1 2 345.430 3.809 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000503570681 1027911750 /nfs/dbraw/zinc/91/17/50/1027911750.db2.gz JYVSKHYLTABOPX-ZYTXOQACSA-N 1 2 345.430 3.809 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000503570681 1027911759 /nfs/dbraw/zinc/91/17/59/1027911759.db2.gz JYVSKHYLTABOPX-ZYTXOQACSA-N 1 2 345.430 3.809 20 0 EHADLO COc1ccc(OC)c(C[N@H+](CC(=O)c2cccn2C)C(C)(C)C)c1 ZINC000132333061 1027912171 /nfs/dbraw/zinc/91/21/71/1027912171.db2.gz OBVQTRIKXNOSJA-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](CC(=O)c2cccn2C)C(C)(C)C)c1 ZINC000132333061 1027912189 /nfs/dbraw/zinc/91/21/89/1027912189.db2.gz OBVQTRIKXNOSJA-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO CC[C@@H]1C[C@@H](C[NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)CCO1 ZINC000503587333 1027926928 /nfs/dbraw/zinc/92/69/28/1027926928.db2.gz SNRQSFYLDNAAJH-IAOVAPTHSA-N 1 2 349.862 3.916 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)c(Br)c1 ZINC000472267886 1027930059 /nfs/dbraw/zinc/93/00/59/1027930059.db2.gz KBPCRSZGBXSLRL-LBPRGKRZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)c(Br)c1 ZINC000472267886 1027930071 /nfs/dbraw/zinc/93/00/71/1027930071.db2.gz KBPCRSZGBXSLRL-LBPRGKRZSA-N 1 2 339.277 3.816 20 0 EHADLO CC[C@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503590711 1027933364 /nfs/dbraw/zinc/93/33/64/1027933364.db2.gz BMDJNBLKYQTZSH-CEXWTWQISA-N 1 2 347.499 3.734 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)n1 ZINC000414486325 1027966496 /nfs/dbraw/zinc/96/64/96/1027966496.db2.gz TXEUVQPLDCJYEI-UHFFFAOYSA-N 1 2 337.471 3.676 20 0 EHADLO Cc1cc(OCC[NH+]2CCN(C(=O)C(C)(C)C)CC2)ccc1C(C)C ZINC000502219450 1027982325 /nfs/dbraw/zinc/98/23/25/1027982325.db2.gz ZCESCIDPBNYFFH-UHFFFAOYSA-N 1 2 346.515 3.688 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000533556627 1028077482 /nfs/dbraw/zinc/07/74/82/1028077482.db2.gz JEBHFZIKPJANQH-UHFFFAOYSA-N 1 2 327.472 3.611 20 0 EHADLO CC(C)[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccccn1 ZINC000533559105 1028079121 /nfs/dbraw/zinc/07/91/21/1028079121.db2.gz ALSNUAHSYJEQKG-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccccn1 ZINC000533559105 1028079142 /nfs/dbraw/zinc/07/91/42/1028079142.db2.gz ALSNUAHSYJEQKG-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2nnnn2C2CC2)cc1 ZINC000052042662 1028079785 /nfs/dbraw/zinc/07/97/85/1028079785.db2.gz VESUKEXTNPJPLY-KRWDZBQOSA-N 1 2 325.460 3.643 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2Cc2nnnn2C2CC2)cc1 ZINC000052042662 1028079805 /nfs/dbraw/zinc/07/98/05/1028079805.db2.gz VESUKEXTNPJPLY-KRWDZBQOSA-N 1 2 325.460 3.643 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000078676476 1028084924 /nfs/dbraw/zinc/08/49/24/1028084924.db2.gz GUVPVYWLYYZABV-IRXDYDNUSA-N 1 2 346.519 3.666 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)c1c(F)cccc1F ZINC000422977351 1028106198 /nfs/dbraw/zinc/10/61/98/1028106198.db2.gz JTADTWBFZZTVIK-GOSISDBHSA-N 1 2 346.377 3.925 20 0 EHADLO CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423008559 1028122744 /nfs/dbraw/zinc/12/27/44/1028122744.db2.gz TWXXCYDOUFMUEB-SGTLLEGYSA-N 1 2 348.393 3.629 20 0 EHADLO COc1cccc(SC)c1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421155219 1028136903 /nfs/dbraw/zinc/13/69/03/1028136903.db2.gz MCNJMNFVERKTMD-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423086154 1028175103 /nfs/dbraw/zinc/17/51/03/1028175103.db2.gz LKOXIFOHSIDEAQ-INIZCTEOSA-N 1 2 334.366 3.781 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000135206280 1028177886 /nfs/dbraw/zinc/17/78/86/1028177886.db2.gz XLHCZSCVYMOBMY-UHFFFAOYSA-N 1 2 346.434 3.731 20 0 EHADLO Cc1ncc(CSCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000421209211 1028179977 /nfs/dbraw/zinc/17/99/77/1028179977.db2.gz OFOKWTOZQCBQRP-UHFFFAOYSA-N 1 2 334.510 3.717 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccn(-c3ccccc3)n2)c(C)[nH+]1 ZINC000455472917 1028206264 /nfs/dbraw/zinc/20/62/64/1028206264.db2.gz JHTOPPZJNQSMPF-UHFFFAOYSA-N 1 2 349.438 3.557 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(OC(F)F)c2)c(C)[nH+]1 ZINC000455479829 1028214939 /nfs/dbraw/zinc/21/49/39/1028214939.db2.gz NYENUGMDHOSKBG-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2COc3cccc(Cl)c32)c(C)[nH+]1 ZINC000455493297 1028225009 /nfs/dbraw/zinc/22/50/09/1028225009.db2.gz CGYLXLOYWNTPEP-CYBMUJFWSA-N 1 2 331.803 3.915 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(C(F)(F)F)n2)c(C)[nH+]1 ZINC000455495228 1028228296 /nfs/dbraw/zinc/22/82/96/1028228296.db2.gz FPBJOUXSTAZCBQ-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C)s1 ZINC000444804275 1028276874 /nfs/dbraw/zinc/27/68/74/1028276874.db2.gz RAORMTGXPKMTII-NSHDSACASA-N 1 2 344.406 3.881 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C)s1 ZINC000444804275 1028276892 /nfs/dbraw/zinc/27/68/92/1028276892.db2.gz RAORMTGXPKMTII-NSHDSACASA-N 1 2 344.406 3.881 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)nn1C ZINC000421333998 1028304251 /nfs/dbraw/zinc/30/42/51/1028304251.db2.gz OYNRHDBEHSAFAN-VIFPVBQESA-N 1 2 329.778 3.834 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)nn1 ZINC000421359420 1028308178 /nfs/dbraw/zinc/30/81/78/1028308178.db2.gz FYINIGPMXMVLQZ-AWEZNQCLSA-N 1 2 338.377 3.740 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)nn1 ZINC000421359420 1028308197 /nfs/dbraw/zinc/30/81/97/1028308197.db2.gz FYINIGPMXMVLQZ-AWEZNQCLSA-N 1 2 338.377 3.740 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2N(C)C)c(C)[nH+]1 ZINC000455539855 1028317811 /nfs/dbraw/zinc/31/78/11/1028317811.db2.gz YIDZYZHYXFNFGP-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000475615457 1028369080 /nfs/dbraw/zinc/36/90/80/1028369080.db2.gz KRXCWPHLQGMCSE-QAPCUYQASA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000475615457 1028369084 /nfs/dbraw/zinc/36/90/84/1028369084.db2.gz KRXCWPHLQGMCSE-QAPCUYQASA-N 1 2 339.863 3.509 20 0 EHADLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000067657400 1028372520 /nfs/dbraw/zinc/37/25/20/1028372520.db2.gz BSAVLDMVAGIFHM-LPHOPBHVSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067645743 1028373111 /nfs/dbraw/zinc/37/31/11/1028373111.db2.gz GJXOZCKAYHUHPO-CQSZACIVSA-N 1 2 338.386 3.572 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)n1 ZINC000459378478 1028383905 /nfs/dbraw/zinc/38/39/05/1028383905.db2.gz OLSQXEZIBJEAOJ-UHFFFAOYSA-N 1 2 340.452 3.639 20 0 EHADLO COc1ccc(-c2cc(CNc3cc(C)[nH+]c(C4CC4)n3)on2)cc1 ZINC000664347060 1028384406 /nfs/dbraw/zinc/38/44/06/1028384406.db2.gz VHWBQSZYNDZLHA-UHFFFAOYSA-N 1 2 336.395 3.938 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000582969034 1028395504 /nfs/dbraw/zinc/39/55/04/1028395504.db2.gz YYZXCYGJWPDCLT-YTQUADARSA-N 1 2 341.455 3.649 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCn2ccnc21 ZINC000655762751 1028397206 /nfs/dbraw/zinc/39/72/06/1028397206.db2.gz IMHLTFRQMJMHKW-KGLIPLIRSA-N 1 2 348.244 3.594 20 0 EHADLO Cc1nc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2o1 ZINC000060615349 1028414876 /nfs/dbraw/zinc/41/48/76/1028414876.db2.gz PRWIRWXUABYLLJ-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455561050 1028458670 /nfs/dbraw/zinc/45/86/70/1028458670.db2.gz QHURGMZPTDRTHL-KRWDZBQOSA-N 1 2 325.456 3.779 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(C)c(C)cc1OC(F)F)C2 ZINC000897334145 1028462799 /nfs/dbraw/zinc/46/27/99/1028462799.db2.gz LDKHYCONWMIVPR-UHFFFAOYSA-N 1 2 335.398 3.680 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)C2 ZINC000897334145 1028462806 /nfs/dbraw/zinc/46/28/06/1028462806.db2.gz LDKHYCONWMIVPR-UHFFFAOYSA-N 1 2 335.398 3.680 20 0 EHADLO CCCC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1Cl ZINC000171303504 1028464024 /nfs/dbraw/zinc/46/40/24/1028464024.db2.gz UIYOHKFACCYMIY-UHFFFAOYSA-N 1 2 348.878 3.921 20 0 EHADLO CCCC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1Cl ZINC000171303504 1028464033 /nfs/dbraw/zinc/46/40/33/1028464033.db2.gz UIYOHKFACCYMIY-UHFFFAOYSA-N 1 2 348.878 3.921 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000545939662 1028465074 /nfs/dbraw/zinc/46/50/74/1028465074.db2.gz WNSKWXOBZWGMFL-CMPLNLGQSA-N 1 2 330.375 3.855 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193860897 1028474144 /nfs/dbraw/zinc/47/41/44/1028474144.db2.gz XXXHNRZNRWPRMO-KGLIPLIRSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193860897 1028474157 /nfs/dbraw/zinc/47/41/57/1028474157.db2.gz XXXHNRZNRWPRMO-KGLIPLIRSA-N 1 2 346.862 3.578 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000367180493 1028490165 /nfs/dbraw/zinc/49/01/65/1028490165.db2.gz UJBRJPUCEMGGDQ-HXUWFJFHSA-N 1 2 335.382 3.583 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000025508058 1028499147 /nfs/dbraw/zinc/49/91/47/1028499147.db2.gz DIOJMLNVOWNXDL-UPJWGTAASA-N 1 2 339.277 3.754 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000475926764 1028512691 /nfs/dbraw/zinc/51/26/91/1028512691.db2.gz OICHEDHPHASXSQ-LSDHHAIUSA-N 1 2 349.544 3.772 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000475926764 1028512706 /nfs/dbraw/zinc/51/27/06/1028512706.db2.gz OICHEDHPHASXSQ-LSDHHAIUSA-N 1 2 349.544 3.772 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000414532034 1028544942 /nfs/dbraw/zinc/54/49/42/1028544942.db2.gz AKBFACSEKMZPIL-UHFFFAOYSA-N 1 2 336.460 3.556 20 0 EHADLO Cc1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc[nH+]1 ZINC000073300657 1028549104 /nfs/dbraw/zinc/54/91/04/1028549104.db2.gz CPRUXOPWSZLWRE-UHFFFAOYSA-N 1 2 343.333 3.895 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421568668 1028560887 /nfs/dbraw/zinc/56/08/87/1028560887.db2.gz IEZGALYKVKWXIF-MJBXVCDLSA-N 1 2 329.831 3.578 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2OCc2cscn2)cc[nH+]1 ZINC000073557398 1028562631 /nfs/dbraw/zinc/56/26/31/1028562631.db2.gz KVAVZTSCGXBRAJ-UHFFFAOYSA-N 1 2 325.393 3.678 20 0 EHADLO CSc1ccccc1CN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455570322 1028565606 /nfs/dbraw/zinc/56/56/06/1028565606.db2.gz LPXKSKQXTTZRGY-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO CC(C)[C@H](CNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000504344600 1028569308 /nfs/dbraw/zinc/56/93/08/1028569308.db2.gz HFCYGBJZWDSVDY-SFHVURJKSA-N 1 2 340.471 3.623 20 0 EHADLO Cc1cc(CNC(=O)C2(Cc3ccccc3Cl)CC2)cc(C)[nH+]1 ZINC000421574534 1028570337 /nfs/dbraw/zinc/57/03/37/1028570337.db2.gz GFBBTNCRIJYGPL-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1ccccc1Cl ZINC000195073856 1028574753 /nfs/dbraw/zinc/57/47/53/1028574753.db2.gz RXDPPSBZAYRDIP-CXAGYDPISA-N 1 2 342.830 3.605 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421579568 1028575864 /nfs/dbraw/zinc/57/58/64/1028575864.db2.gz UITMARZWGAOGRO-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423708860 1028579433 /nfs/dbraw/zinc/57/94/33/1028579433.db2.gz NDGNZDLZBZFYMY-INIZCTEOSA-N 1 2 334.366 3.606 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000423708571 1028580299 /nfs/dbraw/zinc/58/02/99/1028580299.db2.gz HDBQWTNLMFUMMN-VIFPVBQESA-N 1 2 331.243 3.663 20 0 EHADLO FC(F)(F)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000195122537 1028585010 /nfs/dbraw/zinc/58/50/10/1028585010.db2.gz SHKFHNOHISWLOC-CVEARBPZSA-N 1 2 346.356 3.830 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000074513394 1028619798 /nfs/dbraw/zinc/61/97/98/1028619798.db2.gz SBYPTQSXRPQMPR-CQSZACIVSA-N 1 2 329.419 3.844 20 0 EHADLO c1ccc(Cc2noc(C[NH+]3CCC(OC4CCCC4)CC3)n2)cc1 ZINC000195326667 1028629548 /nfs/dbraw/zinc/62/95/48/1028629548.db2.gz BNAYGRLHOKLOKL-UHFFFAOYSA-N 1 2 341.455 3.584 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000246630867 1028671318 /nfs/dbraw/zinc/67/13/18/1028671318.db2.gz KIMIIBRTUYVYDM-GOEBONIOSA-N 1 2 331.485 3.927 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000246630867 1028671329 /nfs/dbraw/zinc/67/13/29/1028671329.db2.gz KIMIIBRTUYVYDM-GOEBONIOSA-N 1 2 331.485 3.927 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(Cl)c2ccccc21 ZINC000423897524 1028683394 /nfs/dbraw/zinc/68/33/94/1028683394.db2.gz KSMXLNOCYMBBCL-BONVTDFDSA-N 1 2 338.785 3.668 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1F ZINC000325392867 1028690226 /nfs/dbraw/zinc/69/02/26/1028690226.db2.gz WDQSHDAGILPTER-CHWSQXEVSA-N 1 2 332.423 3.564 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000246811690 1028697317 /nfs/dbraw/zinc/69/73/17/1028697317.db2.gz RSLCJPSRVPWAFP-DYVFJYSZSA-N 1 2 327.428 3.819 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000246811690 1028697328 /nfs/dbraw/zinc/69/73/28/1028697328.db2.gz RSLCJPSRVPWAFP-DYVFJYSZSA-N 1 2 327.428 3.819 20 0 EHADLO C[C@H]1CC[C@H](N(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000429741483 1028722404 /nfs/dbraw/zinc/72/24/04/1028722404.db2.gz FIHXHOKIYQOWOA-HOTGVXAUSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245502658 1028747606 /nfs/dbraw/zinc/74/76/06/1028747606.db2.gz CBEXJMFBUORTDP-KZNAEPCWSA-N 1 2 331.504 3.664 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)c1Cl ZINC000897339226 1028755597 /nfs/dbraw/zinc/75/55/97/1028755597.db2.gz GLQUOTNCWCQVET-VIFPVBQESA-N 1 2 340.254 3.821 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247252861 1028765096 /nfs/dbraw/zinc/76/50/96/1028765096.db2.gz XGVNRHWXMGLEBZ-ZIAGYGMSSA-N 1 2 335.366 3.551 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247252861 1028765104 /nfs/dbraw/zinc/76/51/04/1028765104.db2.gz XGVNRHWXMGLEBZ-ZIAGYGMSSA-N 1 2 335.366 3.551 20 0 EHADLO O=C(NCc1cc2c(s1)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000524007161 1028778864 /nfs/dbraw/zinc/77/88/64/1028778864.db2.gz CBBPCNDJPGTLOJ-UHFFFAOYSA-N 1 2 337.448 3.743 20 0 EHADLO Oc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cc1F ZINC000278071470 1028782053 /nfs/dbraw/zinc/78/20/53/1028782053.db2.gz FOKXVTFKDCPRSW-INIZCTEOSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1F ZINC000278071470 1028782065 /nfs/dbraw/zinc/78/20/65/1028782065.db2.gz FOKXVTFKDCPRSW-INIZCTEOSA-N 1 2 339.370 3.918 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247451180 1028790468 /nfs/dbraw/zinc/79/04/68/1028790468.db2.gz JFUWZWFBQHHPOB-RYRKJORJSA-N 1 2 343.496 3.615 20 0 EHADLO O=C(CNc1cc[nH+]c2c(Cl)cccc12)N1Cc2ccccc2C1 ZINC000343047244 1028795850 /nfs/dbraw/zinc/79/58/50/1028795850.db2.gz WBMQUWXAIFYVBI-UHFFFAOYSA-N 1 2 337.810 3.843 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791348 1028819519 /nfs/dbraw/zinc/81/95/19/1028819519.db2.gz ZDJOAHIOJMNIGI-MDZRGWNJSA-N 1 2 343.446 3.701 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nccn2CC(C)C)C2CC2)c(F)c1 ZINC000421833596 1028824873 /nfs/dbraw/zinc/82/48/73/1028824873.db2.gz NWNXZUQTXFBIFH-IBGZPJMESA-N 1 2 331.435 3.928 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000424137590 1028825047 /nfs/dbraw/zinc/82/50/47/1028825047.db2.gz AYBVLHNYISKJOY-UHFFFAOYSA-N 1 2 340.471 3.631 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)CCc2cccc(F)c2)c1C ZINC000079835835 1028860412 /nfs/dbraw/zinc/86/04/12/1028860412.db2.gz RCQRGZKAIFTCHS-ZDUSSCGKSA-N 1 2 344.430 3.731 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(NCc2c[nH+]cn2C(C)C)c(C)c1 ZINC000424167747 1028865392 /nfs/dbraw/zinc/86/53/92/1028865392.db2.gz HOAZMPCMZRAPPB-OAHLLOKOSA-N 1 2 328.460 3.913 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(Br)ccc(Cl)c2F)n(C)n1 ZINC000894288113 1028871626 /nfs/dbraw/zinc/87/16/26/1028871626.db2.gz VNRSBMCPHDMHKM-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(SC)s2)s1 ZINC000424202491 1028887927 /nfs/dbraw/zinc/88/79/27/1028887927.db2.gz PRQRIIWWGYUDLM-MRVPVSSYSA-N 1 2 328.484 3.564 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000504770978 1028906388 /nfs/dbraw/zinc/90/63/88/1028906388.db2.gz ZGHJQARDCJHBSY-ZIFCJYIRSA-N 1 2 337.467 3.682 20 0 EHADLO CCCc1[nH]ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000421873395 1028907365 /nfs/dbraw/zinc/90/73/65/1028907365.db2.gz WBUPPWBFPAKMOH-AWEZNQCLSA-N 1 2 331.485 3.548 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)n1C ZINC000029541742 1028925302 /nfs/dbraw/zinc/92/53/02/1028925302.db2.gz DAZJKRMGICFDMU-CYBMUJFWSA-N 1 2 334.489 3.560 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)n1C ZINC000029541742 1028925318 /nfs/dbraw/zinc/92/53/18/1028925318.db2.gz DAZJKRMGICFDMU-CYBMUJFWSA-N 1 2 334.489 3.560 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)n1 ZINC000424311855 1028960687 /nfs/dbraw/zinc/96/06/87/1028960687.db2.gz VMZZDIQRGMVHHB-MFKMUULPSA-N 1 2 348.244 3.586 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535940268 1028966847 /nfs/dbraw/zinc/96/68/47/1028966847.db2.gz BXQIHBOHRAPYGT-GVDBMIGSSA-N 1 2 332.492 3.524 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)s1 ZINC000424326525 1028973730 /nfs/dbraw/zinc/97/37/30/1028973730.db2.gz MBDIHJPVRPJZSI-BDAKNGLRSA-N 1 2 326.368 3.620 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459383963 1028983081 /nfs/dbraw/zinc/98/30/81/1028983081.db2.gz HKLWXLBHXMQQST-ZTNFWEORSA-N 1 2 345.487 3.636 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(c3cccc(Cl)c3)CC2)c[nH+]1 ZINC000454555309 1029036827 /nfs/dbraw/zinc/03/68/27/1029036827.db2.gz ZURLSKGKFIBCDS-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000454533720 1029041256 /nfs/dbraw/zinc/04/12/56/1029041256.db2.gz ZLTVDZVDZWVKJP-JKSUJKDBSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)c2ccc(F)cc2F)c[nH+]1 ZINC000454571078 1029049291 /nfs/dbraw/zinc/04/92/91/1029049291.db2.gz FTWZQDWOGQWMRG-GFCCVEGCSA-N 1 2 333.382 3.580 20 0 EHADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](c2cccnc2)C2CC2)o1 ZINC000445809922 1029146093 /nfs/dbraw/zinc/14/60/93/1029146093.db2.gz JEHYRVFVKZHJBR-HXUWFJFHSA-N 1 2 334.423 3.605 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000271796943 1029174246 /nfs/dbraw/zinc/17/42/46/1029174246.db2.gz OQGSFIBPDGPCOG-CYBMUJFWSA-N 1 2 340.452 3.850 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)[nH+]1 ZINC000077896791 1029174861 /nfs/dbraw/zinc/17/48/61/1029174861.db2.gz JRVTXLHWPJCBON-JTQLQIEISA-N 1 2 345.403 3.718 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](CC(C)C)c2ccccc2OC)s1 ZINC000271801490 1029177200 /nfs/dbraw/zinc/17/72/00/1029177200.db2.gz PHVHNZIESXUCDQ-AWEZNQCLSA-N 1 2 335.473 3.822 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)on1 ZINC000154437571 1029188272 /nfs/dbraw/zinc/18/82/72/1029188272.db2.gz HFBBVMNIASVUPQ-UHFFFAOYSA-N 1 2 327.428 3.670 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)on1 ZINC000154437571 1029188279 /nfs/dbraw/zinc/18/82/79/1029188279.db2.gz HFBBVMNIASVUPQ-UHFFFAOYSA-N 1 2 327.428 3.670 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(Br)ccc1F)C1CC1 ZINC000271850403 1029198083 /nfs/dbraw/zinc/19/80/83/1029198083.db2.gz VZWRIXYKOAVIQX-CQSZACIVSA-N 1 2 338.224 3.563 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(N2CCOC2=O)c1 ZINC000271855606 1029204064 /nfs/dbraw/zinc/20/40/64/1029204064.db2.gz XUGCMRDPONBFIG-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO CCCOc1cccc(CCNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454692171 1029206977 /nfs/dbraw/zinc/20/69/77/1029206977.db2.gz KQNUKPPIBLBHHE-UHFFFAOYSA-N 1 2 341.455 3.529 20 0 EHADLO COc1cc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)ccc1C ZINC000271882383 1029214650 /nfs/dbraw/zinc/21/46/50/1029214650.db2.gz ZNEIIOBWUZUKNM-UHFFFAOYSA-N 1 2 335.407 3.833 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(Br)c(C2CC2)n1 ZINC000424717719 1029268677 /nfs/dbraw/zinc/26/86/77/1029268677.db2.gz IBVJPPOEHRSDRK-UHFFFAOYSA-N 1 2 335.249 3.533 20 0 EHADLO c1c2ccccc2sc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278136463 1029272681 /nfs/dbraw/zinc/27/26/81/1029272681.db2.gz RNSZWHYLGYYCEE-ZIAGYGMSSA-N 1 2 341.436 3.877 20 0 EHADLO c1c2ccccc2sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278136463 1029272698 /nfs/dbraw/zinc/27/26/98/1029272698.db2.gz RNSZWHYLGYYCEE-ZIAGYGMSSA-N 1 2 341.436 3.877 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000446004729 1029303048 /nfs/dbraw/zinc/30/30/48/1029303048.db2.gz WFBLZUOUTLYJSD-NUEKZKHPSA-N 1 2 341.373 3.883 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000615039911 1029305292 /nfs/dbraw/zinc/30/52/92/1029305292.db2.gz VGQLDUMVJJTTLD-QGZVFWFLSA-N 1 2 331.847 3.709 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000154766494 1029308620 /nfs/dbraw/zinc/30/86/20/1029308620.db2.gz ZTXDIVUYGQZEMK-QGZVFWFLSA-N 1 2 344.503 3.518 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)n2)cc1 ZINC000237450981 1029322650 /nfs/dbraw/zinc/32/26/50/1029322650.db2.gz IEFBYKMKJFGZFH-KUHUBIRLSA-N 1 2 337.423 3.887 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000253356509 1029327219 /nfs/dbraw/zinc/32/72/19/1029327219.db2.gz ROBCGAWVQDYBEN-LIRRHRJNSA-N 1 2 343.398 3.654 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000253356509 1029327235 /nfs/dbraw/zinc/32/72/35/1029327235.db2.gz ROBCGAWVQDYBEN-LIRRHRJNSA-N 1 2 343.398 3.654 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cnc(Cc2ccccc2)s1 ZINC000446041700 1029337049 /nfs/dbraw/zinc/33/70/49/1029337049.db2.gz JSJMXSWZKGSRPR-UHFFFAOYSA-N 1 2 334.404 3.634 20 0 EHADLO Cc1cc2n[nH]cc2cc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343127436 1029347599 /nfs/dbraw/zinc/34/75/99/1029347599.db2.gz YVLUAUUVQWSJCP-MRXNPFEDSA-N 1 2 345.406 3.755 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000446061345 1029371825 /nfs/dbraw/zinc/37/18/25/1029371825.db2.gz PZAGJBRYSAAWIG-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000446061345 1029371835 /nfs/dbraw/zinc/37/18/35/1029371835.db2.gz PZAGJBRYSAAWIG-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCCCCNc1cccc[nH+]1 ZINC000255868274 1029374793 /nfs/dbraw/zinc/37/47/93/1029374793.db2.gz IHWPKLIGVNCEKK-WAYWQWQTSA-N 1 2 327.403 3.633 20 0 EHADLO Oc1ccccc1-c1nc(SCc2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000446072955 1029391566 /nfs/dbraw/zinc/39/15/66/1029391566.db2.gz WMFVCSCTCTZCOM-UHFFFAOYSA-N 1 2 349.419 3.655 20 0 EHADLO Cc1nc(C)c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 ZINC000272309508 1029410026 /nfs/dbraw/zinc/41/00/26/1029410026.db2.gz WKPQRHWIZOYYFA-BZPMIXESSA-N 1 2 346.500 3.942 20 0 EHADLO Cc1sc([C@@H]2COCC[NH2+]2)nc1-c1ccccc1C(F)(F)F ZINC000446141752 1029448398 /nfs/dbraw/zinc/44/83/98/1029448398.db2.gz ZOSLCGVULCIAOP-LBPRGKRZSA-N 1 2 328.359 3.798 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000505337944 1029467673 /nfs/dbraw/zinc/46/76/73/1029467673.db2.gz MQGLDOJUHLXCOS-UHFFFAOYSA-N 1 2 336.414 3.538 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000533252329 1029531094 /nfs/dbraw/zinc/53/10/94/1029531094.db2.gz NJUSBPHTZSEVLZ-XOBRGWDASA-N 1 2 344.455 3.546 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000533252329 1029531099 /nfs/dbraw/zinc/53/10/99/1029531099.db2.gz NJUSBPHTZSEVLZ-XOBRGWDASA-N 1 2 344.455 3.546 20 0 EHADLO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(O)c1OC ZINC000272614371 1029533995 /nfs/dbraw/zinc/53/39/95/1029533995.db2.gz KYCPXMNQUZGIQW-CYBMUJFWSA-N 1 2 325.412 3.621 20 0 EHADLO Cc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1CCC(C)C ZINC000455016012 1029552198 /nfs/dbraw/zinc/55/21/98/1029552198.db2.gz XLOLHWGHAHGTFP-UHFFFAOYSA-N 1 2 329.448 3.571 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1C ZINC000272659919 1029553409 /nfs/dbraw/zinc/55/34/09/1029553409.db2.gz SHTZVBPDPBVFIR-OAHLLOKOSA-N 1 2 335.835 3.789 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1C ZINC000272659919 1029553422 /nfs/dbraw/zinc/55/34/22/1029553422.db2.gz SHTZVBPDPBVFIR-OAHLLOKOSA-N 1 2 335.835 3.789 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125610717 1029563207 /nfs/dbraw/zinc/56/32/07/1029563207.db2.gz UAFCXBWRKBELAS-QFBILLFUSA-N 1 2 341.455 3.785 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC4)C3)n2)C1 ZINC000343162407 1029575168 /nfs/dbraw/zinc/57/51/68/1029575168.db2.gz YTFTVSNNHKWUEA-DZGCQCFKSA-N 1 2 348.516 3.639 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC4)C3)n2)C1 ZINC000343162407 1029575176 /nfs/dbraw/zinc/57/51/76/1029575176.db2.gz YTFTVSNNHKWUEA-DZGCQCFKSA-N 1 2 348.516 3.639 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cnn(CC(C)C)c2C(C)C)c[nH+]1 ZINC000455034191 1029580175 /nfs/dbraw/zinc/58/01/75/1029580175.db2.gz FVFALEYLUCPJSF-UHFFFAOYSA-N 1 2 343.475 3.996 20 0 EHADLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cn1 ZINC000533304339 1029607642 /nfs/dbraw/zinc/60/76/42/1029607642.db2.gz MTBOMISIMPVMOA-AWEZNQCLSA-N 1 2 348.878 3.632 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cn1 ZINC000533304339 1029607655 /nfs/dbraw/zinc/60/76/55/1029607655.db2.gz MTBOMISIMPVMOA-AWEZNQCLSA-N 1 2 348.878 3.632 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cs1 ZINC000524971588 1029640813 /nfs/dbraw/zinc/64/08/13/1029640813.db2.gz REIIWNROVQQLOO-GJZGRUSLSA-N 1 2 334.485 3.624 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cs1 ZINC000524971588 1029640817 /nfs/dbraw/zinc/64/08/17/1029640817.db2.gz REIIWNROVQQLOO-GJZGRUSLSA-N 1 2 334.485 3.624 20 0 EHADLO CC[N@H+](Cc1ccoc1)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000611777707 1029665121 /nfs/dbraw/zinc/66/51/21/1029665121.db2.gz PAGZQCVGIJQJLL-UHFFFAOYSA-N 1 2 340.379 3.743 20 0 EHADLO CC[N@@H+](Cc1ccoc1)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000611777707 1029665123 /nfs/dbraw/zinc/66/51/23/1029665123.db2.gz PAGZQCVGIJQJLL-UHFFFAOYSA-N 1 2 340.379 3.743 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000525051457 1029669056 /nfs/dbraw/zinc/66/90/56/1029669056.db2.gz IAJPVPXGPNDJRM-NUJGCVRESA-N 1 2 330.472 3.845 20 0 EHADLO Cc1cc(Cl)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278207896 1029670805 /nfs/dbraw/zinc/67/08/05/1029670805.db2.gz WWVHCVYHBNXFBS-HUUCEWRRSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(Cl)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278207896 1029670807 /nfs/dbraw/zinc/67/08/07/1029670807.db2.gz WWVHCVYHBNXFBS-HUUCEWRRSA-N 1 2 333.819 3.624 20 0 EHADLO CSc1ccccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155829048 1029670965 /nfs/dbraw/zinc/67/09/65/1029670965.db2.gz YHHFLHBENBLXTM-AWEZNQCLSA-N 1 2 342.468 3.594 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001142091780 1029672037 /nfs/dbraw/zinc/67/20/37/1029672037.db2.gz ARXQTHRVROSHQH-UWVGGRQHSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001142091780 1029672043 /nfs/dbraw/zinc/67/20/43/1029672043.db2.gz ARXQTHRVROSHQH-UWVGGRQHSA-N 1 2 348.643 3.710 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nc(-c2ccncc2)n1C1CC1 ZINC000728562831 1029691743 /nfs/dbraw/zinc/69/17/43/1029691743.db2.gz OLTHOIXTTWSWOD-INIZCTEOSA-N 1 2 341.484 3.643 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CC2)nc(-c2ccncc2)n1C1CC1 ZINC000728562831 1029691749 /nfs/dbraw/zinc/69/17/49/1029691749.db2.gz OLTHOIXTTWSWOD-INIZCTEOSA-N 1 2 341.484 3.643 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000152220203 1029694822 /nfs/dbraw/zinc/69/48/22/1029694822.db2.gz AIQIIJMUENDKCU-CQSZACIVSA-N 1 2 329.469 3.553 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc2cc[nH]c21 ZINC000079709991 1029699744 /nfs/dbraw/zinc/69/97/44/1029699744.db2.gz IWHIJSGDQXIRAG-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@H](OC)CC1 ZINC000611931467 1029712019 /nfs/dbraw/zinc/71/20/19/1029712019.db2.gz YAKKFKOJXVVISK-HNNXBMFYSA-N 1 2 342.439 3.725 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)c1cnc(C)cn1)CC2 ZINC000428450013 1029744358 /nfs/dbraw/zinc/74/43/58/1029744358.db2.gz XSTXFWGXVJBKMP-OAHLLOKOSA-N 1 2 341.455 3.702 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)c1cnc(C)cn1)CC2 ZINC000428450013 1029744363 /nfs/dbraw/zinc/74/43/63/1029744363.db2.gz XSTXFWGXVJBKMP-OAHLLOKOSA-N 1 2 341.455 3.702 20 0 EHADLO Fc1cccc(F)c1CN(c1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000343214380 1029767645 /nfs/dbraw/zinc/76/76/45/1029767645.db2.gz IJXOYXSXOFSLMK-UHFFFAOYSA-N 1 2 330.382 3.524 20 0 EHADLO Fc1cccc(F)c1CN(c1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000343214380 1029767652 /nfs/dbraw/zinc/76/76/52/1029767652.db2.gz IJXOYXSXOFSLMK-UHFFFAOYSA-N 1 2 330.382 3.524 20 0 EHADLO O=C(NCCCC1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533809051 1029849300 /nfs/dbraw/zinc/84/93/00/1029849300.db2.gz QHLWRAHHOCDPNM-UHFFFAOYSA-N 1 2 335.517 3.546 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2-c2ccccc2C)c1 ZINC000533805695 1029855237 /nfs/dbraw/zinc/85/52/37/1029855237.db2.gz FVYFJXQIFQOHME-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808891 1029868135 /nfs/dbraw/zinc/86/81/35/1029868135.db2.gz NBZDRNXEFSAEGE-SJORKVTESA-N 1 2 335.517 3.544 20 0 EHADLO Cc1cnc([C@H](C)[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cn1 ZINC000428464059 1029891032 /nfs/dbraw/zinc/89/10/32/1029891032.db2.gz SMDWEABAGHPZGF-HNNXBMFYSA-N 1 2 330.863 3.630 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000156616314 1029900919 /nfs/dbraw/zinc/90/09/19/1029900919.db2.gz GVNWGNFHMULVED-RHQZKXFESA-N 1 2 329.488 3.899 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624737 1029902993 /nfs/dbraw/zinc/90/29/93/1029902993.db2.gz UCFQJULXLASJHO-CABCVRRESA-N 1 2 349.496 3.762 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624737 1029903013 /nfs/dbraw/zinc/90/30/13/1029903013.db2.gz UCFQJULXLASJHO-CABCVRRESA-N 1 2 349.496 3.762 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1O ZINC000089438660 1029909961 /nfs/dbraw/zinc/90/99/61/1029909961.db2.gz HKBXEEICUHOXEK-UHFFFAOYSA-N 1 2 341.798 3.721 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2CN1Cc1c[nH+]cn1C ZINC000447082559 1029911166 /nfs/dbraw/zinc/91/11/66/1029911166.db2.gz PQZLNMMKOWHBEF-CYBMUJFWSA-N 1 2 334.261 3.520 20 0 EHADLO C[C@@H]1CC[C@@H](N(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000428687267 1029911204 /nfs/dbraw/zinc/91/12/04/1029911204.db2.gz DGECQILJDNFLHF-UKRRQHHQSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000531871605 1029947892 /nfs/dbraw/zinc/94/78/92/1029947892.db2.gz AABVMEUNRNDVCH-UHFFFAOYSA-N 1 2 342.468 3.787 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)c1[nH+]cnc2c1cnn2C ZINC000509694349 1029968009 /nfs/dbraw/zinc/96/80/09/1029968009.db2.gz UDHDUTUGTRYFPW-UHFFFAOYSA-N 1 2 327.407 3.699 20 0 EHADLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)C1CCCCC1 ZINC000481792923 1029969935 /nfs/dbraw/zinc/96/99/35/1029969935.db2.gz YOYOOXXOSMBQPY-DLBZAZTESA-N 1 2 344.503 3.518 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000156772989 1030007018 /nfs/dbraw/zinc/00/70/18/1030007018.db2.gz DGMKQHHOTQYETC-CVEARBPZSA-N 1 2 341.455 3.535 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000156772989 1030007035 /nfs/dbraw/zinc/00/70/35/1030007035.db2.gz DGMKQHHOTQYETC-CVEARBPZSA-N 1 2 341.455 3.535 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453293522 1030040528 /nfs/dbraw/zinc/04/05/28/1030040528.db2.gz DMOCIFNGEASYAB-RFAUZJTJSA-N 1 2 325.309 3.658 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)ccc2C)c1C ZINC000058600977 1030054476 /nfs/dbraw/zinc/05/44/76/1030054476.db2.gz ROPDZZFAJOAEQU-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000120570801 1030067947 /nfs/dbraw/zinc/06/79/47/1030067947.db2.gz JZMVWXMPOYYBIO-PXNSSMCTSA-N 1 2 338.451 3.954 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)o1 ZINC000600630083 1030084679 /nfs/dbraw/zinc/08/46/79/1030084679.db2.gz KDFUJCYOLLVEMY-CABCVRRESA-N 1 2 340.471 3.609 20 0 EHADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CC=CCC1 ZINC000343286976 1030109936 /nfs/dbraw/zinc/10/99/36/1030109936.db2.gz ZDTSXHNJGFRHHA-INIZCTEOSA-N 1 2 349.438 3.618 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1OC(F)F ZINC000453333233 1030114105 /nfs/dbraw/zinc/11/41/05/1030114105.db2.gz BKLCOUISMAFHGK-NRUUGDAUSA-N 1 2 325.334 3.980 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](c2ncccc2C)C(C)C)cs1 ZINC000120918578 1030126023 /nfs/dbraw/zinc/12/60/23/1030126023.db2.gz HDKNIHKHWYGZLS-CQSZACIVSA-N 1 2 333.457 3.510 20 0 EHADLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000447352109 1030129265 /nfs/dbraw/zinc/12/92/65/1030129265.db2.gz WVSRSFLYGNLRTL-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000447352109 1030129277 /nfs/dbraw/zinc/12/92/77/1030129277.db2.gz WVSRSFLYGNLRTL-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000657772542 1030165632 /nfs/dbraw/zinc/16/56/32/1030165632.db2.gz FNUSSWLLMMBAHY-HNNXBMFYSA-N 1 2 344.213 3.964 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(F)cn1 ZINC000453368115 1030185039 /nfs/dbraw/zinc/18/50/39/1030185039.db2.gz WSDRNSWOJGXAOA-OQPBUACISA-N 1 2 340.320 3.985 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000121187161 1030203077 /nfs/dbraw/zinc/20/30/77/1030203077.db2.gz IDWRGHVFJPFQPI-ZDUSSCGKSA-N 1 2 349.544 3.873 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000121187161 1030203092 /nfs/dbraw/zinc/20/30/92/1030203092.db2.gz IDWRGHVFJPFQPI-ZDUSSCGKSA-N 1 2 349.544 3.873 20 0 EHADLO COc1cccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c1F ZINC000657773133 1030225470 /nfs/dbraw/zinc/22/54/70/1030225470.db2.gz LLPIJAYPVWMZSR-ZDUSSCGKSA-N 1 2 344.213 3.964 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)c(C)c1 ZINC000121509682 1030285869 /nfs/dbraw/zinc/28/58/69/1030285869.db2.gz ZYNQMTTXEHDUIO-INIZCTEOSA-N 1 2 343.496 3.514 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)c(C)c[nH+]1 ZINC000583624366 1030288424 /nfs/dbraw/zinc/28/84/24/1030288424.db2.gz OECMKKKJEUPCKY-HXUWFJFHSA-N 1 2 341.430 3.889 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC(C)C ZINC000278352873 1030321619 /nfs/dbraw/zinc/32/16/19/1030321619.db2.gz ADAKHUHUDMEUPF-OAHLLOKOSA-N 1 2 342.443 3.917 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(C)cc1Cl ZINC000343335099 1030333949 /nfs/dbraw/zinc/33/39/49/1030333949.db2.gz CDSCQWFFNPEBMK-UHFFFAOYSA-N 1 2 340.814 3.849 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OCC(F)(F)F ZINC000091917740 1030335257 /nfs/dbraw/zinc/33/52/57/1030335257.db2.gz UTJLHUIAOYJBEF-UHFFFAOYSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OCC(F)(F)F ZINC000091917740 1030335267 /nfs/dbraw/zinc/33/52/67/1030335267.db2.gz UTJLHUIAOYJBEF-UHFFFAOYSA-N 1 2 347.377 3.637 20 0 EHADLO C[C@H]1C[N@H+](CCN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726960 1030384985 /nfs/dbraw/zinc/38/49/85/1030384985.db2.gz WGEYCGWJMJAAAU-GUYCJALGSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@H]1C[N@@H+](CCN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726960 1030385001 /nfs/dbraw/zinc/38/50/01/1030385001.db2.gz WGEYCGWJMJAAAU-GUYCJALGSA-N 1 2 343.298 3.851 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)cc2Cl)C[C@]2(CCCOC2)O1 ZINC000482450850 1030433530 /nfs/dbraw/zinc/43/35/30/1030433530.db2.gz IZUZBCPBZIOMQN-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@]2(CCCOC2)O1 ZINC000482450850 1030433537 /nfs/dbraw/zinc/43/35/37/1030433537.db2.gz IZUZBCPBZIOMQN-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO COc1ccc(CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C2CC2)cc1 ZINC000635135763 1030453239 /nfs/dbraw/zinc/45/32/39/1030453239.db2.gz KJUVGWHZRQAWPU-IBGZPJMESA-N 1 2 341.455 3.670 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000482510277 1030488527 /nfs/dbraw/zinc/48/85/27/1030488527.db2.gz OBNVLBPOQYGLKO-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000482510277 1030488535 /nfs/dbraw/zinc/48/85/35/1030488535.db2.gz OBNVLBPOQYGLKO-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635147326 1030497183 /nfs/dbraw/zinc/49/71/83/1030497183.db2.gz ROXFDRVQAOCEKH-GFCCVEGCSA-N 1 2 331.725 3.977 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000526953182 1030501316 /nfs/dbraw/zinc/50/13/16/1030501316.db2.gz KBLJRUSEWKFHGS-CQSZACIVSA-N 1 2 342.468 3.938 20 0 EHADLO Cc1cccc(C2=CC[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)c1 ZINC000092822070 1030524787 /nfs/dbraw/zinc/52/47/87/1030524787.db2.gz MHGVNHNRMAWGHF-KRWDZBQOSA-N 1 2 345.450 3.821 20 0 EHADLO Cc1cccc(C2=CC[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)c1 ZINC000092822070 1030524797 /nfs/dbraw/zinc/52/47/97/1030524797.db2.gz MHGVNHNRMAWGHF-KRWDZBQOSA-N 1 2 345.450 3.821 20 0 EHADLO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1O ZINC000093015482 1030551299 /nfs/dbraw/zinc/55/12/99/1030551299.db2.gz MUAUXJBHABEWGC-UHFFFAOYSA-N 1 2 339.391 3.902 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1O ZINC000093015482 1030551304 /nfs/dbraw/zinc/55/13/04/1030551304.db2.gz MUAUXJBHABEWGC-UHFFFAOYSA-N 1 2 339.391 3.902 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(c3c(F)cccc3F)CC2)n1 ZINC000447883273 1030561494 /nfs/dbraw/zinc/56/14/94/1030561494.db2.gz SAFCINKGINGCJC-GFCCVEGCSA-N 1 2 333.382 3.709 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842666 1030568881 /nfs/dbraw/zinc/56/88/81/1030568881.db2.gz KDUZLCJNCBDQAX-CXAGYDPISA-N 1 2 341.455 3.598 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842666 1030568896 /nfs/dbraw/zinc/56/88/96/1030568896.db2.gz KDUZLCJNCBDQAX-CXAGYDPISA-N 1 2 341.455 3.598 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1cccc2ccccc21 ZINC000066437954 1030573674 /nfs/dbraw/zinc/57/36/74/1030573674.db2.gz YUKONXZRPYFNOO-CYBMUJFWSA-N 1 2 338.373 3.901 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1cccc2ccccc21 ZINC000066437954 1030573685 /nfs/dbraw/zinc/57/36/85/1030573685.db2.gz YUKONXZRPYFNOO-CYBMUJFWSA-N 1 2 338.373 3.901 20 0 EHADLO CCSc1ccccc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157522533 1030599649 /nfs/dbraw/zinc/59/96/49/1030599649.db2.gz IJYCDTAALABNRV-AWEZNQCLSA-N 1 2 330.501 3.967 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1nccs1 ZINC000093399881 1030604733 /nfs/dbraw/zinc/60/47/33/1030604733.db2.gz SISDUPFUOJQRLM-CYBMUJFWSA-N 1 2 338.436 3.641 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000093421729 1030610017 /nfs/dbraw/zinc/61/00/17/1030610017.db2.gz CUVZNEMWYSLBQL-LSDHHAIUSA-N 1 2 335.469 3.508 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000093421729 1030610023 /nfs/dbraw/zinc/61/00/23/1030610023.db2.gz CUVZNEMWYSLBQL-LSDHHAIUSA-N 1 2 335.469 3.508 20 0 EHADLO Fc1cccc2c1C[N@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093454343 1030613273 /nfs/dbraw/zinc/61/32/73/1030613273.db2.gz HPYQHDZYLKEECE-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Fc1cccc2c1C[N@@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093454343 1030613283 /nfs/dbraw/zinc/61/32/83/1030613283.db2.gz HPYQHDZYLKEECE-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO CCN(CC)c1ccc(N[C@H]2CCC[C@H](c3ccnn3C)C2)c[nH+]1 ZINC000448020886 1030653389 /nfs/dbraw/zinc/65/33/89/1030653389.db2.gz FNYZRVWDPHXLTR-HOTGVXAUSA-N 1 2 327.476 3.800 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@@H](c3ccsc3)C2)n1-c1ccccc1 ZINC000093768402 1030666842 /nfs/dbraw/zinc/66/68/42/1030666842.db2.gz LBHLBHSIRQKJSU-LJQANCHMSA-N 1 2 339.464 3.816 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccn(C)n1 ZINC000550858184 1030730329 /nfs/dbraw/zinc/73/03/29/1030730329.db2.gz MMFQWVBDIXLBNU-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C2 ZINC000527247611 1030735437 /nfs/dbraw/zinc/73/54/37/1030735437.db2.gz ILHHROHCQCVUQG-BMIGLBTASA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC2 ZINC000527247611 1030735451 /nfs/dbraw/zinc/73/54/51/1030735451.db2.gz ILHHROHCQCVUQG-BMIGLBTASA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000657793185 1030741046 /nfs/dbraw/zinc/74/10/46/1030741046.db2.gz HSBKVYBYJNBQOH-UHFFFAOYSA-N 1 2 337.370 3.576 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)nc2ccccc12 ZINC000527229171 1030744952 /nfs/dbraw/zinc/74/49/52/1030744952.db2.gz ZLVQIOPDJFMMAB-UHFFFAOYSA-N 1 2 347.397 3.553 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)c2ccc(Cl)cc2)no1 ZINC000527232835 1030747559 /nfs/dbraw/zinc/74/75/59/1030747559.db2.gz HXQWJUCORDKKFO-HZUKXOBISA-N 1 2 335.835 3.526 20 0 EHADLO c1nnc([C@H]([NH2+]CCc2cc3ccccc3s2)c2ccccc2)[nH]1 ZINC000550882681 1030757266 /nfs/dbraw/zinc/75/72/66/1030757266.db2.gz RDSOKTFKMWVASD-GOSISDBHSA-N 1 2 334.448 3.941 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1sccc1OC(F)F ZINC000171444408 1030780333 /nfs/dbraw/zinc/78/03/33/1030780333.db2.gz VNNAGYDYJQPJKP-UHFFFAOYSA-N 1 2 335.335 3.788 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000527324518 1030795574 /nfs/dbraw/zinc/79/55/74/1030795574.db2.gz KZOMQRBWHVYASU-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000527325031 1030795680 /nfs/dbraw/zinc/79/56/80/1030795680.db2.gz CIJZSFPFDGJEFT-IFXJQAMLSA-N 1 2 334.423 3.857 20 0 EHADLO CS[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000476675709 1030797171 /nfs/dbraw/zinc/79/71/71/1030797171.db2.gz VQNIPVLTFRUMOX-IUODEOHRSA-N 1 2 337.533 3.532 20 0 EHADLO CS[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000476675709 1030797189 /nfs/dbraw/zinc/79/71/89/1030797189.db2.gz VQNIPVLTFRUMOX-IUODEOHRSA-N 1 2 337.533 3.532 20 0 EHADLO Cc1ccccc1[C@@H](C)N(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635231778 1030802124 /nfs/dbraw/zinc/80/21/24/1030802124.db2.gz ILSDMLYWAIPLHP-UKRRQHHQSA-N 1 2 339.361 3.905 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000460490571 1030842526 /nfs/dbraw/zinc/84/25/26/1030842526.db2.gz METVPLYWBRRRKP-QGZVFWFLSA-N 1 2 333.435 3.850 20 0 EHADLO C[N@H+](Cc1cn2ccsc2n1)Cc1ccccc1N1CCCC1 ZINC000172188170 1030845606 /nfs/dbraw/zinc/84/56/06/1030845606.db2.gz UXLIINYPZQZUEW-UHFFFAOYSA-N 1 2 326.469 3.628 20 0 EHADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1N1CCCC1 ZINC000172188170 1030845631 /nfs/dbraw/zinc/84/56/31/1030845631.db2.gz UXLIINYPZQZUEW-UHFFFAOYSA-N 1 2 326.469 3.628 20 0 EHADLO COc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1C ZINC000923827271 1030845683 /nfs/dbraw/zinc/84/56/83/1030845683.db2.gz JMTITNWVVYPAIP-HNNXBMFYSA-N 1 2 326.400 3.886 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1C ZINC000668172864 1030848078 /nfs/dbraw/zinc/84/80/78/1030848078.db2.gz VHRRDLKMZPEEJH-OAHLLOKOSA-N 1 2 349.276 3.830 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cncc(Br)c1C ZINC000668172864 1030848097 /nfs/dbraw/zinc/84/80/97/1030848097.db2.gz VHRRDLKMZPEEJH-OAHLLOKOSA-N 1 2 349.276 3.830 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3F)CC2)cs1 ZINC000171928351 1030850138 /nfs/dbraw/zinc/85/01/38/1030850138.db2.gz FUDNVMKGUKYZIP-AWEZNQCLSA-N 1 2 333.476 3.723 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1coc2ccccc12 ZINC000172002746 1030863886 /nfs/dbraw/zinc/86/38/86/1030863886.db2.gz PXAGBKUWLBSROY-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904576 1030901176 /nfs/dbraw/zinc/90/11/76/1030901176.db2.gz CRRHRZRCOORTNQ-GWNMQOMSSA-N 1 2 327.799 3.558 20 0 EHADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904576 1030901192 /nfs/dbraw/zinc/90/11/92/1030901192.db2.gz CRRHRZRCOORTNQ-GWNMQOMSSA-N 1 2 327.799 3.558 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000131007989 1030931935 /nfs/dbraw/zinc/93/19/35/1030931935.db2.gz RSRSHGAZHAEQLT-QZTJIDSGSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1cc(Cl)cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000150815356 1030938821 /nfs/dbraw/zinc/93/88/21/1030938821.db2.gz BOHIITKRKHIHOT-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000115996078 1030958741 /nfs/dbraw/zinc/95/87/41/1030958741.db2.gz ZDMKHISDUUOJRW-GJZGRUSLSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc2ccccc2s1 ZINC000343457112 1030968820 /nfs/dbraw/zinc/96/88/20/1030968820.db2.gz HJHZMMMJOCEADA-OCCSQVGLSA-N 1 2 325.437 3.538 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000172593354 1030973932 /nfs/dbraw/zinc/97/39/32/1030973932.db2.gz YYOOAWNGRMYAGS-JTQLQIEISA-N 1 2 343.374 3.693 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000172593354 1030973953 /nfs/dbraw/zinc/97/39/53/1030973953.db2.gz YYOOAWNGRMYAGS-JTQLQIEISA-N 1 2 343.374 3.693 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000172733000 1030988252 /nfs/dbraw/zinc/98/82/52/1030988252.db2.gz YJQCOHGLMJNUDZ-LLVKDONJSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000172733000 1030988265 /nfs/dbraw/zinc/98/82/65/1030988265.db2.gz YJQCOHGLMJNUDZ-LLVKDONJSA-N 1 2 341.333 3.520 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000668210784 1030989060 /nfs/dbraw/zinc/98/90/60/1030989060.db2.gz LXDCAGHDLOHJRE-CQSZACIVSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000668210784 1030989071 /nfs/dbraw/zinc/98/90/71/1030989071.db2.gz LXDCAGHDLOHJRE-CQSZACIVSA-N 1 2 329.749 3.923 20 0 EHADLO CC[C@@]1(Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527536918 1030994331 /nfs/dbraw/zinc/99/43/31/1030994331.db2.gz TZVVGILBIABRGW-FQEVSTJZSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000098033624 1030997582 /nfs/dbraw/zinc/99/75/82/1030997582.db2.gz RWNVJOVXESWCDY-OAHLLOKOSA-N 1 2 332.407 3.706 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000448370981 1031003635 /nfs/dbraw/zinc/00/36/35/1031003635.db2.gz BSYWFRVJUMZRBS-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000448370981 1031003652 /nfs/dbraw/zinc/00/36/52/1031003652.db2.gz BSYWFRVJUMZRBS-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c(-c2ccccc2Cl)n1 ZINC000448375649 1031007672 /nfs/dbraw/zinc/00/76/72/1031007672.db2.gz UYMJALBVPLKSEU-KRWDZBQOSA-N 1 2 347.890 3.987 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c(-c2ccccc2Cl)n1 ZINC000448375649 1031007692 /nfs/dbraw/zinc/00/76/92/1031007692.db2.gz UYMJALBVPLKSEU-KRWDZBQOSA-N 1 2 347.890 3.987 20 0 EHADLO COc1cc(F)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000565080758 1031058258 /nfs/dbraw/zinc/05/82/58/1031058258.db2.gz PMUJORSFPXULDD-MRXNPFEDSA-N 1 2 349.402 3.617 20 0 EHADLO COc1cc(F)c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000565080758 1031058275 /nfs/dbraw/zinc/05/82/75/1031058275.db2.gz PMUJORSFPXULDD-MRXNPFEDSA-N 1 2 349.402 3.617 20 0 EHADLO CCSc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000668227947 1031065677 /nfs/dbraw/zinc/06/56/77/1031065677.db2.gz YETOHJSPCBMUAY-APHBMKBZSA-N 1 2 329.469 3.513 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccco1 ZINC000527648471 1031078394 /nfs/dbraw/zinc/07/83/94/1031078394.db2.gz GVOGINWFNVCKTR-QKYXPGDISA-N 1 2 338.451 3.631 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccco1 ZINC000527648473 1031078519 /nfs/dbraw/zinc/07/85/19/1031078519.db2.gz GVOGINWFNVCKTR-YXOJNZSOSA-N 1 2 338.451 3.631 20 0 EHADLO C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCc2ccccc21 ZINC000650770068 1031080955 /nfs/dbraw/zinc/08/09/55/1031080955.db2.gz NMDYNPCUNDNPHI-QGZVFWFLSA-N 1 2 345.446 3.733 20 0 EHADLO CCCn1c(=S)n(C[N@H+](CC)CCC2CC2)nc1-c1ccncc1 ZINC000760538006 1031109962 /nfs/dbraw/zinc/10/99/62/1031109962.db2.gz IFTPECHNXFRJPL-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](CC)CCC2CC2)nc1-c1ccncc1 ZINC000760538006 1031109970 /nfs/dbraw/zinc/10/99/70/1031109970.db2.gz IFTPECHNXFRJPL-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000483346347 1031120102 /nfs/dbraw/zinc/12/01/02/1031120102.db2.gz BMXKFZBQZOEEON-STQMWFEESA-N 1 2 330.432 3.569 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000483370130 1031133933 /nfs/dbraw/zinc/13/39/33/1031133933.db2.gz BPDZWPMVGZQERM-KSZLIROESA-N 1 2 348.535 3.939 20 0 EHADLO COc1ccc([C@H](C[NH+](C)C)NC/C=C/c2ccc(F)cc2)cc1 ZINC000551227563 1031136104 /nfs/dbraw/zinc/13/61/04/1031136104.db2.gz LYLXLAOYZGXNPO-SGSXCFNPSA-N 1 2 328.431 3.740 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)ccn1 ZINC000551278663 1031189174 /nfs/dbraw/zinc/18/91/74/1031189174.db2.gz TYTGSXNHYMXVMI-YGRLFVJLSA-N 1 2 341.238 3.781 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)c(OC)c1 ZINC000527781021 1031215375 /nfs/dbraw/zinc/21/53/75/1031215375.db2.gz VKUNXFKKWDNBIF-HNNXBMFYSA-N 1 2 337.423 3.740 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cccc(F)c3)n2)c1 ZINC000174658594 1031241258 /nfs/dbraw/zinc/24/12/58/1031241258.db2.gz WBOFYVVOHRACRL-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO FC1(F)CC[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000583969838 1031263582 /nfs/dbraw/zinc/26/35/82/1031263582.db2.gz BZFNBIRRVAFOSI-LBPRGKRZSA-N 1 2 329.354 3.663 20 0 EHADLO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527826889 1031294114 /nfs/dbraw/zinc/29/41/14/1031294114.db2.gz VVEZHPIVEQLITG-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000175261369 1031318034 /nfs/dbraw/zinc/31/80/34/1031318034.db2.gz ZOCLEYWDJSTJDK-DGCLKSJQSA-N 1 2 335.860 3.561 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1SCCc2ccccc21 ZINC000175664295 1031324375 /nfs/dbraw/zinc/32/43/75/1031324375.db2.gz BLDQTWSERFFZNA-LJQANCHMSA-N 1 2 349.459 3.519 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1(c2ccccc2)CCCC1 ZINC000583997831 1031352795 /nfs/dbraw/zinc/35/27/95/1031352795.db2.gz VPODTJMYVWSGGN-DLBZAZTESA-N 1 2 325.456 3.851 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc(C)c1Br ZINC000584003999 1031383728 /nfs/dbraw/zinc/38/37/28/1031383728.db2.gz WEUPBSZUQZRZRV-LLVKDONJSA-N 1 2 336.233 3.606 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc(C)c1Br ZINC000584003999 1031383745 /nfs/dbraw/zinc/38/37/45/1031383745.db2.gz WEUPBSZUQZRZRV-LLVKDONJSA-N 1 2 336.233 3.606 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483978310 1031411133 /nfs/dbraw/zinc/41/11/33/1031411133.db2.gz NQNKKKYARNAXJA-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483978310 1031411140 /nfs/dbraw/zinc/41/11/40/1031411140.db2.gz NQNKKKYARNAXJA-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC(C2CCC2)C2CCC2)c2nnc[nH]2)cc1 ZINC000527925968 1031419495 /nfs/dbraw/zinc/41/94/95/1031419495.db2.gz CEAIMUDMBZULLI-SFHVURJKSA-N 1 2 328.435 3.839 20 0 EHADLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000343587138 1031502399 /nfs/dbraw/zinc/50/23/99/1031502399.db2.gz GUZOSAWBGWRLSX-HNNXBMFYSA-N 1 2 346.368 3.591 20 0 EHADLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000343587138 1031502412 /nfs/dbraw/zinc/50/24/12/1031502412.db2.gz GUZOSAWBGWRLSX-HNNXBMFYSA-N 1 2 346.368 3.591 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347429915 1031518619 /nfs/dbraw/zinc/51/86/19/1031518619.db2.gz LVJRHQLFVAGRSU-SJORKVTESA-N 1 2 325.456 3.628 20 0 EHADLO CC[C@@H](C)Oc1nccnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000527958663 1031521938 /nfs/dbraw/zinc/52/19/38/1031521938.db2.gz HMOCDUCLRZDZFR-MRXNPFEDSA-N 1 2 343.475 3.547 20 0 EHADLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000177588669 1031577227 /nfs/dbraw/zinc/57/72/27/1031577227.db2.gz ZPBWKLGPLNKTNI-INIZCTEOSA-N 1 2 342.830 3.938 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cccnc2C)nnn1-c1cccc(Cl)c1 ZINC000527984370 1031599776 /nfs/dbraw/zinc/59/97/76/1031599776.db2.gz FYZXXJWLEMWGTK-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)s1 ZINC000133439341 1031615727 /nfs/dbraw/zinc/61/57/27/1031615727.db2.gz DUFDFQFVRUWIGV-UHFFFAOYSA-N 1 2 334.407 3.547 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[C@H](C)n3cc[nH+]c3)n2)cc1 ZINC000551752294 1031621360 /nfs/dbraw/zinc/62/13/60/1031621360.db2.gz CYAGRGSZJYYUNQ-ZDUSSCGKSA-N 1 2 326.425 3.905 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178223560 1031644096 /nfs/dbraw/zinc/64/40/96/1031644096.db2.gz VPTAQFAZSIYIFT-UHFFFAOYSA-N 1 2 342.374 3.584 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000178126076 1031657184 /nfs/dbraw/zinc/65/71/84/1031657184.db2.gz GYFCINYOPZSECW-UHFFFAOYSA-N 1 2 333.435 3.775 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000448774623 1031664645 /nfs/dbraw/zinc/66/46/45/1031664645.db2.gz LOGFNYWMUVIHGM-HZPDHXFCSA-N 1 2 327.428 3.583 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352115 1031686481 /nfs/dbraw/zinc/68/64/81/1031686481.db2.gz KDUFWLBEJHCKJY-HNNXBMFYSA-N 1 2 337.423 3.543 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178373595 1031690753 /nfs/dbraw/zinc/69/07/53/1031690753.db2.gz JXTGXDCOIQYDMW-UHFFFAOYSA-N 1 2 334.206 3.500 20 0 EHADLO CC(C)Sc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178389488 1031692031 /nfs/dbraw/zinc/69/20/31/1031692031.db2.gz SHUCLOGUYHWGLK-UHFFFAOYSA-N 1 2 325.437 3.765 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000448821335 1031722694 /nfs/dbraw/zinc/72/26/94/1031722694.db2.gz FTVTUEFZIXSXMS-GFCCVEGCSA-N 1 2 332.366 3.644 20 0 EHADLO O=C(Nc1ccccc1N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117577666 1031755923 /nfs/dbraw/zinc/75/59/23/1031755923.db2.gz HPNTWKFERMUWJL-UHFFFAOYSA-N 1 2 332.407 3.725 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117598661 1031761954 /nfs/dbraw/zinc/76/19/54/1031761954.db2.gz HYODBDSJVIRUBM-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000194947326 1031781616 /nfs/dbraw/zinc/78/16/16/1031781616.db2.gz RJQMXBMDTNFHOU-LSDHHAIUSA-N 1 2 331.213 3.895 20 0 EHADLO COc1ccccc1C(C)(C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117650669 1031787731 /nfs/dbraw/zinc/78/77/31/1031787731.db2.gz ZJYSRVOMQHAZIJ-UHFFFAOYSA-N 1 2 335.407 3.546 20 0 EHADLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCc2ccccc2C1 ZINC000117671620 1031792847 /nfs/dbraw/zinc/79/28/47/1031792847.db2.gz MTZUXAYDRYFSMG-IBGZPJMESA-N 1 2 331.419 3.502 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2cccc(F)c2)cn1 ZINC000180040145 1031834627 /nfs/dbraw/zinc/83/46/27/1031834627.db2.gz BTXCOHUMLAMGII-SFHVURJKSA-N 1 2 331.341 3.717 20 0 EHADLO Cc1nc(NCc2ccc(Br)cc2C(F)(F)F)cc[nH+]1 ZINC000343672329 1031874166 /nfs/dbraw/zinc/87/41/66/1031874166.db2.gz WKWMLLAKRQCWDR-UHFFFAOYSA-N 1 2 346.150 3.600 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccc3c(c2)CCCCC3=O)n1 ZINC000904262772 1031891746 /nfs/dbraw/zinc/89/17/46/1031891746.db2.gz KWGMYKVHADUJSN-UHFFFAOYSA-N 1 2 334.379 3.598 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)CCc2ccc(F)cc2)n1 ZINC000904264876 1031893631 /nfs/dbraw/zinc/89/36/31/1031893631.db2.gz BMHKLOUFVORONC-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC=CCC1 ZINC000448930296 1031904944 /nfs/dbraw/zinc/90/49/44/1031904944.db2.gz XGTKEXLTGIOSQB-FQEVSTJZSA-N 1 2 327.472 3.825 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(-c4cccc(Cl)c4)no3)cn2c1 ZINC000904287934 1031924793 /nfs/dbraw/zinc/92/47/93/1031924793.db2.gz CWFCCGWQMRLADK-UHFFFAOYSA-N 1 2 328.734 3.768 20 0 EHADLO CC(=O)c1ccc(F)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000904401352 1032016009 /nfs/dbraw/zinc/01/60/09/1032016009.db2.gz OTNPZBWIPNKCSB-UHFFFAOYSA-N 1 2 344.386 3.860 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000459399559 1032036603 /nfs/dbraw/zinc/03/66/03/1032036603.db2.gz VHVUCSBTOBZWNH-AWEZNQCLSA-N 1 2 331.416 3.513 20 0 EHADLO CCCNC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000195132478 1032044849 /nfs/dbraw/zinc/04/48/49/1032044849.db2.gz RCSILNBWJFSWKB-UHFFFAOYSA-N 1 2 348.450 3.933 20 0 EHADLO CCCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000195132634 1032045347 /nfs/dbraw/zinc/04/53/47/1032045347.db2.gz QBAFQOGHSSUFKB-UHFFFAOYSA-N 1 2 334.423 3.624 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000449857775 1033353391 /nfs/dbraw/zinc/35/33/91/1033353391.db2.gz RVHZWWPTQXRVJM-UHFFFAOYSA-N 1 2 337.345 3.641 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487400 1033368337 /nfs/dbraw/zinc/36/83/37/1033368337.db2.gz CMPBILKFEJKDLD-VXGBXAGGSA-N 1 2 328.551 3.802 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487400 1033368346 /nfs/dbraw/zinc/36/83/46/1033368346.db2.gz CMPBILKFEJKDLD-VXGBXAGGSA-N 1 2 328.551 3.802 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2n[nH]c3ccccc32)C1 ZINC000685470991 1033373786 /nfs/dbraw/zinc/37/37/86/1033373786.db2.gz GNINVGWXCOPCSA-LSDHHAIUSA-N 1 2 339.464 3.564 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2n[nH]c3ccccc32)C1 ZINC000685470991 1033373801 /nfs/dbraw/zinc/37/38/01/1033373801.db2.gz GNINVGWXCOPCSA-LSDHHAIUSA-N 1 2 339.464 3.564 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)NC(=O)CS3)c2c([nH+]1)CCCC2 ZINC000892395522 1033392260 /nfs/dbraw/zinc/39/22/60/1033392260.db2.gz ZDDPTSQYHQHVGS-UHFFFAOYSA-N 1 2 339.464 3.925 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000093366112 1033478157 /nfs/dbraw/zinc/47/81/57/1033478157.db2.gz WXQONPHNOXNNED-UHFFFAOYSA-N 1 2 347.418 3.904 20 0 EHADLO C[C@]1(c2ccccc2)C[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000608089495 1033485908 /nfs/dbraw/zinc/48/59/08/1033485908.db2.gz VCZCYCUVWJDGOZ-WIYYLYMNSA-N 1 2 341.418 3.958 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Br ZINC001140700709 1033500538 /nfs/dbraw/zinc/50/05/38/1033500538.db2.gz KERQKJCNQCRKQY-WBMJQRKESA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Br ZINC001140700709 1033500533 /nfs/dbraw/zinc/50/05/33/1033500533.db2.gz KERQKJCNQCRKQY-WBMJQRKESA-N 1 2 342.252 3.898 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)c1 ZINC000131310228 1033555422 /nfs/dbraw/zinc/55/54/22/1033555422.db2.gz ACPAYIWYLLOVGS-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(COC)o2)c1 ZINC000131310228 1033555433 /nfs/dbraw/zinc/55/54/33/1033555433.db2.gz ACPAYIWYLLOVGS-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO Cc1nc(C)c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000685561760 1033566478 /nfs/dbraw/zinc/56/64/78/1033566478.db2.gz FIFIPDWBUNTEDZ-AOOOYVTPSA-N 1 2 330.272 3.854 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000685561760 1033566485 /nfs/dbraw/zinc/56/64/85/1033566485.db2.gz FIFIPDWBUNTEDZ-AOOOYVTPSA-N 1 2 330.272 3.854 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccccc2F)C2CC2)c2ccc(O)cc2o1 ZINC000170754167 1033588816 /nfs/dbraw/zinc/58/88/16/1033588816.db2.gz IGVARTYLHZPVKM-UHFFFAOYSA-N 1 2 339.366 3.802 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccccc2F)C2CC2)c2ccc(O)cc2o1 ZINC000170754167 1033588834 /nfs/dbraw/zinc/58/88/34/1033588834.db2.gz IGVARTYLHZPVKM-UHFFFAOYSA-N 1 2 339.366 3.802 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000603426870 1033620944 /nfs/dbraw/zinc/62/09/44/1033620944.db2.gz AQMBRHGUVPBWOI-MRXNPFEDSA-N 1 2 331.481 3.609 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000603426870 1033620950 /nfs/dbraw/zinc/62/09/50/1033620950.db2.gz AQMBRHGUVPBWOI-MRXNPFEDSA-N 1 2 331.481 3.609 20 0 EHADLO Cc1ccc(F)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180078 1033650973 /nfs/dbraw/zinc/65/09/73/1033650973.db2.gz CWVXIBXSLMZPHX-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO C[C@@H](Nc1cc(CSCCO)cc[nH+]1)c1cc2cnccc2o1 ZINC000595030623 1033653250 /nfs/dbraw/zinc/65/32/50/1033653250.db2.gz SZNMPGWIOHIFBI-GFCCVEGCSA-N 1 2 329.425 3.621 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)Nc1ccc(F)cc1 ZINC000107325508 1033672816 /nfs/dbraw/zinc/67/28/16/1033672816.db2.gz XWFGYDKJMCIMEJ-UHFFFAOYSA-N 1 2 342.418 3.923 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000608410828 1033698346 /nfs/dbraw/zinc/69/83/46/1033698346.db2.gz YCCDHGRFMUMIPJ-SFHVURJKSA-N 1 2 326.444 3.504 20 0 EHADLO Cn1c[nH+]cc1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000291058644 1033702092 /nfs/dbraw/zinc/70/20/92/1033702092.db2.gz FLADWAMTEOJDCN-UHFFFAOYSA-N 1 2 334.685 3.613 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H]2CCCSCC2)c2ccc(Cl)cc2)no1 ZINC000657953168 1033719543 /nfs/dbraw/zinc/71/95/43/1033719543.db2.gz DOPFSIAHWFSCGV-HUUCEWRRSA-N 1 2 337.876 3.996 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000595350901 1033731479 /nfs/dbraw/zinc/73/14/79/1033731479.db2.gz LAGJCLDBLLRFJY-JTQLQIEISA-N 1 2 335.698 3.825 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000595350901 1033731492 /nfs/dbraw/zinc/73/14/92/1033731492.db2.gz LAGJCLDBLLRFJY-JTQLQIEISA-N 1 2 335.698 3.825 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450110471 1033756888 /nfs/dbraw/zinc/75/68/88/1033756888.db2.gz FGYIIWKENIEEIA-VAMGGRTRSA-N 1 2 336.435 3.645 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nc3ccccc3s2)[C@H](CC)CN1C(C)=O ZINC000472350466 1033757536 /nfs/dbraw/zinc/75/75/36/1033757536.db2.gz NNHABQXRLVGPSE-HUUCEWRRSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)[C@H](CC)CN1C(C)=O ZINC000472350466 1033757552 /nfs/dbraw/zinc/75/75/52/1033757552.db2.gz NNHABQXRLVGPSE-HUUCEWRRSA-N 1 2 331.485 3.518 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000136176953 1033760768 /nfs/dbraw/zinc/76/07/68/1033760768.db2.gz DIZQOTWJWBZWIM-PMACEKPBSA-N 1 2 345.446 3.957 20 0 EHADLO CCc1cnc(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)o1 ZINC000608561041 1033761020 /nfs/dbraw/zinc/76/10/20/1033761020.db2.gz CTMRWWVCUXICJK-HNNXBMFYSA-N 1 2 325.456 3.653 20 0 EHADLO CNc1nc(C)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001625994304 1033784648 /nfs/dbraw/zinc/78/46/48/1033784648.db2.gz WHDTZTGHUMKXPY-UHFFFAOYSA-N 1 2 341.802 3.523 20 0 EHADLO CC(C)C[C@H](C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174196609 1033799802 /nfs/dbraw/zinc/79/98/02/1033799802.db2.gz XLYWMVKBSMYHGD-KRWDZBQOSA-N 1 2 345.531 3.910 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889931 1033801456 /nfs/dbraw/zinc/80/14/56/1033801456.db2.gz ULDWLXRPCOOSCB-YTEVENLXSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889931 1033801463 /nfs/dbraw/zinc/80/14/63/1033801463.db2.gz ULDWLXRPCOOSCB-YTEVENLXSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@H]1CCN(C(=O)C2=C(c3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450155502 1033820192 /nfs/dbraw/zinc/82/01/92/1033820192.db2.gz ANPFLXVEJRLSEZ-JXFKEZNVSA-N 1 2 335.451 3.930 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000655779603 1033829028 /nfs/dbraw/zinc/82/90/28/1033829028.db2.gz ONAXNZJCXYBIAQ-LRDDRELGSA-N 1 2 341.846 3.826 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCC[N@H+]3C)s2)cc1F ZINC000599306358 1033853765 /nfs/dbraw/zinc/85/37/65/1033853765.db2.gz YXTKMRGNALCZFA-MRXNPFEDSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCC[N@@H+]3C)s2)cc1F ZINC000599306358 1033853777 /nfs/dbraw/zinc/85/37/77/1033853777.db2.gz YXTKMRGNALCZFA-MRXNPFEDSA-N 1 2 347.459 3.604 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)nc1C ZINC000599370757 1033891460 /nfs/dbraw/zinc/89/14/60/1033891460.db2.gz JTOKIYSUOHYFIU-GFCCVEGCSA-N 1 2 336.432 3.927 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000120504933 1033906992 /nfs/dbraw/zinc/90/69/92/1033906992.db2.gz IVELOZOWRJVHRL-INIZCTEOSA-N 1 2 345.512 3.953 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000120504933 1033907001 /nfs/dbraw/zinc/90/70/01/1033907001.db2.gz IVELOZOWRJVHRL-INIZCTEOSA-N 1 2 345.512 3.953 20 0 EHADLO C[C@H](c1c(F)cccc1F)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120543828 1033921826 /nfs/dbraw/zinc/92/18/26/1033921826.db2.gz LDBWOENBOMJXHN-HUUCEWRRSA-N 1 2 331.410 3.800 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(Br)c(F)c1 ZINC000658103518 1033951992 /nfs/dbraw/zinc/95/19/92/1033951992.db2.gz VWUYOIDCBXBMHV-RVBZMBCESA-N 1 2 339.212 3.536 20 0 EHADLO COC1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450234273 1033953374 /nfs/dbraw/zinc/95/33/74/1033953374.db2.gz QKYKGYWKSVXMLE-UHFFFAOYSA-N 1 2 339.208 3.752 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371906196 1033957669 /nfs/dbraw/zinc/95/76/69/1033957669.db2.gz QMTKSZDQTKWWRM-UHFFFAOYSA-N 1 2 340.471 3.585 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371906196 1033957674 /nfs/dbraw/zinc/95/76/74/1033957674.db2.gz QMTKSZDQTKWWRM-UHFFFAOYSA-N 1 2 340.471 3.585 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000658158125 1034014421 /nfs/dbraw/zinc/01/44/21/1034014421.db2.gz FXZDBJXIZSDGRR-OAHLLOKOSA-N 1 2 343.258 3.745 20 0 EHADLO C[C@H]1CCCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869624 1034052490 /nfs/dbraw/zinc/05/24/90/1034052490.db2.gz WZKBWSZTLMISKG-FUHWJXTLSA-N 1 2 340.471 3.678 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000658234402 1034120104 /nfs/dbraw/zinc/12/01/04/1034120104.db2.gz ABDLRDKEJXDARC-LLVKDONJSA-N 1 2 344.267 3.790 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000658234664 1034120221 /nfs/dbraw/zinc/12/02/21/1034120221.db2.gz YSIHMDSZKSATPW-ZDUSSCGKSA-N 1 2 337.876 3.772 20 0 EHADLO CC(C)([NH2+]Cc1nc(-c2ccccn2)no1)c1ccc(Cl)cc1 ZINC000604046243 1034166476 /nfs/dbraw/zinc/16/64/76/1034166476.db2.gz PCIWRJAXDAPWKT-UHFFFAOYSA-N 1 2 328.803 3.810 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560089 1034172193 /nfs/dbraw/zinc/17/21/93/1034172193.db2.gz YCOFLAKHPCNNES-SUNKGSAMSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560089 1034172198 /nfs/dbraw/zinc/17/21/98/1034172198.db2.gz YCOFLAKHPCNNES-SUNKGSAMSA-N 1 2 335.391 3.535 20 0 EHADLO Cc1cc(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1C(C)C ZINC000120822329 1034175077 /nfs/dbraw/zinc/17/50/77/1034175077.db2.gz BQSKFRFVRPOMNA-UHFFFAOYSA-N 1 2 341.455 3.557 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120837075 1034181106 /nfs/dbraw/zinc/18/11/06/1034181106.db2.gz CLGLYEPIPQQXMQ-WMZOPIPTSA-N 1 2 331.504 3.808 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000450358465 1034194818 /nfs/dbraw/zinc/19/48/18/1034194818.db2.gz SBENUOHSXBRUQN-QGZVFWFLSA-N 1 2 347.455 3.609 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000450358465 1034194825 /nfs/dbraw/zinc/19/48/25/1034194825.db2.gz SBENUOHSXBRUQN-QGZVFWFLSA-N 1 2 347.455 3.609 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC2=CCCCC2)c1C ZINC000057604930 1034202058 /nfs/dbraw/zinc/20/20/58/1034202058.db2.gz DRKJMBIFQGAIFM-UHFFFAOYSA-N 1 2 331.460 3.739 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529566014 1034220335 /nfs/dbraw/zinc/22/03/35/1034220335.db2.gz MYXXNQFUIFVZIW-UHFFFAOYSA-N 1 2 327.375 3.790 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529566014 1034220351 /nfs/dbraw/zinc/22/03/51/1034220351.db2.gz MYXXNQFUIFVZIW-UHFFFAOYSA-N 1 2 327.375 3.790 20 0 EHADLO COCCCOCCN(C)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450422884 1034288168 /nfs/dbraw/zinc/28/81/68/1034288168.db2.gz NYCVKQMUVTVOJR-UHFFFAOYSA-N 1 2 342.361 3.743 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000604267758 1034309827 /nfs/dbraw/zinc/30/98/27/1034309827.db2.gz GCJWMUKAGDMHLM-MRXNPFEDSA-N 1 2 341.455 3.591 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000685712839 1034341456 /nfs/dbraw/zinc/34/14/56/1034341456.db2.gz PXPXQGUMSYIDOK-NRFANRHFSA-N 1 2 345.446 3.586 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604359119 1034346230 /nfs/dbraw/zinc/34/62/30/1034346230.db2.gz OKFFKPZTWWNFNS-HNNXBMFYSA-N 1 2 344.484 3.635 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604359119 1034346246 /nfs/dbraw/zinc/34/62/46/1034346246.db2.gz OKFFKPZTWWNFNS-HNNXBMFYSA-N 1 2 344.484 3.635 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648700 1034350059 /nfs/dbraw/zinc/35/00/59/1034350059.db2.gz HHRABBAWECKNCM-UHFFFAOYSA-N 1 2 349.356 3.860 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)CCCO2 ZINC000171387326 1034351458 /nfs/dbraw/zinc/35/14/58/1034351458.db2.gz HZRRYXUWLCOZOM-UHFFFAOYSA-N 1 2 348.406 3.519 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453594 1034361423 /nfs/dbraw/zinc/36/14/23/1034361423.db2.gz JRMXJDZMJWHXRU-KDOFPFPSSA-N 1 2 328.460 3.817 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453594 1034361431 /nfs/dbraw/zinc/36/14/31/1034361431.db2.gz JRMXJDZMJWHXRU-KDOFPFPSSA-N 1 2 328.460 3.817 20 0 EHADLO O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121059274 1034366669 /nfs/dbraw/zinc/36/66/69/1034366669.db2.gz UWFYLWMQBRBASZ-ZDUSSCGKSA-N 1 2 337.206 3.682 20 0 EHADLO OCCC[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CCCc2ccccc21 ZINC000450468594 1034380823 /nfs/dbraw/zinc/38/08/23/1034380823.db2.gz MKLQGWKDLZEWLE-KRWDZBQOSA-N 1 2 343.496 3.678 20 0 EHADLO OCCC[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CCCc2ccccc21 ZINC000450468594 1034380837 /nfs/dbraw/zinc/38/08/37/1034380837.db2.gz MKLQGWKDLZEWLE-KRWDZBQOSA-N 1 2 343.496 3.678 20 0 EHADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@H]1C ZINC000450478113 1034395889 /nfs/dbraw/zinc/39/58/89/1034395889.db2.gz ZLFARFTXFVQOEJ-GHMZBOCLSA-N 1 2 336.794 3.663 20 0 EHADLO O=C(CCC[N@@H+]1CCO[C@H](c2cccs2)C1)c1ccc(F)cc1 ZINC000450492973 1034427464 /nfs/dbraw/zinc/42/74/64/1034427464.db2.gz YKAZNSFAMKSWMJ-KRWDZBQOSA-N 1 2 333.428 3.924 20 0 EHADLO O=C(CCC[N@H+]1CCO[C@H](c2cccs2)C1)c1ccc(F)cc1 ZINC000450492973 1034427469 /nfs/dbraw/zinc/42/74/69/1034427469.db2.gz YKAZNSFAMKSWMJ-KRWDZBQOSA-N 1 2 333.428 3.924 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000604667388 1034448596 /nfs/dbraw/zinc/44/85/96/1034448596.db2.gz WQBQTRWFRFVGDY-IRXDYDNUSA-N 1 2 332.492 3.789 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)s1 ZINC000121150917 1034475458 /nfs/dbraw/zinc/47/54/58/1034475458.db2.gz QOGJGAOQCFUIFH-AAEUAGOBSA-N 1 2 336.844 3.580 20 0 EHADLO Cc1c(Cl)cccc1NC(=S)NCCCNc1cccc[nH+]1 ZINC000060433709 1034518411 /nfs/dbraw/zinc/51/84/11/1034518411.db2.gz SSMBIXMQRPUJSU-UHFFFAOYSA-N 1 2 334.876 3.832 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2c1C ZINC000604861763 1034532468 /nfs/dbraw/zinc/53/24/68/1034532468.db2.gz SZUBNLVVTOROSB-UHFFFAOYSA-N 1 2 333.435 3.530 20 0 EHADLO C[N@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603708 1034557193 /nfs/dbraw/zinc/55/71/93/1034557193.db2.gz HYBJQTDDBWPTBH-GWCFXTLKSA-N 1 2 349.830 3.536 20 0 EHADLO C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603708 1034557207 /nfs/dbraw/zinc/55/72/07/1034557207.db2.gz HYBJQTDDBWPTBH-GWCFXTLKSA-N 1 2 349.830 3.536 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000597164839 1034571739 /nfs/dbraw/zinc/57/17/39/1034571739.db2.gz HXIJPQFYTGDQCO-CQSZACIVSA-N 1 2 344.480 3.590 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000597164839 1034571749 /nfs/dbraw/zinc/57/17/49/1034571749.db2.gz HXIJPQFYTGDQCO-CQSZACIVSA-N 1 2 344.480 3.590 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(-c2cccs2)nc2ccccc21 ZINC000171755160 1034606806 /nfs/dbraw/zinc/60/68/06/1034606806.db2.gz CCKMTZUACJWENI-UHFFFAOYSA-N 1 2 348.431 3.659 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000534519737 1034623815 /nfs/dbraw/zinc/62/38/15/1034623815.db2.gz QXEVMWGEVJUYLC-UHFFFAOYSA-N 1 2 346.481 3.895 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728609558 1034625318 /nfs/dbraw/zinc/62/53/18/1034625318.db2.gz JGFKOIZNVJENDF-OAHLLOKOSA-N 1 2 340.814 3.562 20 0 EHADLO CC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000456667675 1034645152 /nfs/dbraw/zinc/64/51/52/1034645152.db2.gz UOYIKGXLKPADLK-IBGZPJMESA-N 1 2 325.456 3.559 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525847 1034645451 /nfs/dbraw/zinc/64/54/51/1034645451.db2.gz KYIIJUSKRDLXIG-UHFFFAOYSA-N 1 2 342.508 3.661 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154768 1034649883 /nfs/dbraw/zinc/64/98/83/1034649883.db2.gz ABBADFFSZRKZCO-WMLDXEAASA-N 1 2 346.521 3.543 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154768 1034649889 /nfs/dbraw/zinc/64/98/89/1034649889.db2.gz ABBADFFSZRKZCO-WMLDXEAASA-N 1 2 346.521 3.543 20 0 EHADLO c1c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)nnn1-c1ccccc1 ZINC000605155793 1034653682 /nfs/dbraw/zinc/65/36/82/1034653682.db2.gz ZQAFEFWFEMYSOV-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO c1c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)nnn1-c1ccccc1 ZINC000605155793 1034653689 /nfs/dbraw/zinc/65/36/89/1034653689.db2.gz ZQAFEFWFEMYSOV-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2csnn2)ccc1OCC(C)C ZINC000450663742 1034659041 /nfs/dbraw/zinc/65/90/41/1034659041.db2.gz MGNXJCAHEPVIHM-CHWSQXEVSA-N 1 2 335.473 3.993 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2csnn2)ccc1OCC(C)C ZINC000450663743 1034659094 /nfs/dbraw/zinc/65/90/94/1034659094.db2.gz MGNXJCAHEPVIHM-OLZOCXBDSA-N 1 2 335.473 3.993 20 0 EHADLO c1c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)nnn1CC1CC1 ZINC000450682210 1034683073 /nfs/dbraw/zinc/68/30/73/1034683073.db2.gz OUGPLXUTUTVGLZ-OAQYLSRUSA-N 1 2 348.450 3.598 20 0 EHADLO COC(=O)c1coc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000450687501 1034691730 /nfs/dbraw/zinc/69/17/30/1034691730.db2.gz ZGTXPVKYJUVIQA-KRWDZBQOSA-N 1 2 332.375 3.621 20 0 EHADLO COc1cc2c(cn1)CC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143463146 1034719596 /nfs/dbraw/zinc/71/95/96/1034719596.db2.gz SCDCCCDNRQZORP-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO COc1cc2c(cn1)CC[N@@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143463146 1034719604 /nfs/dbraw/zinc/71/96/04/1034719604.db2.gz SCDCCCDNRQZORP-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO FCC1(CNc2[nH+]cccc2OCc2ccccc2)CCOCC1 ZINC000450733983 1034741334 /nfs/dbraw/zinc/74/13/34/1034741334.db2.gz UAYVNEJTCYXCBT-UHFFFAOYSA-N 1 2 330.403 3.839 20 0 EHADLO O=C(c1cc2occc2s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000605505887 1034757357 /nfs/dbraw/zinc/75/73/57/1034757357.db2.gz DKGSWNCIQHVZEP-UHFFFAOYSA-N 1 2 346.477 3.556 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](OC)C(C)(C)C1 ZINC000450766101 1034760270 /nfs/dbraw/zinc/76/02/70/1034760270.db2.gz SHKFVFWGJANXIR-QGZVFWFLSA-N 1 2 342.439 3.663 20 0 EHADLO CC[C@@H](C)n1ncc(C(=O)NCc2c[nH+]c(C)cc2C)c1C1CC1 ZINC000456843324 1034763897 /nfs/dbraw/zinc/76/38/97/1034763897.db2.gz QCWFQSJYEBKANR-CQSZACIVSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)c(OCC(C)C)c1 ZINC000456829588 1034775295 /nfs/dbraw/zinc/77/52/95/1034775295.db2.gz CRAIPLZWACMEKC-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO COc1ccc(SCCCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456830895 1034775477 /nfs/dbraw/zinc/77/54/77/1034775477.db2.gz DQYFIGBMDYLXGB-UHFFFAOYSA-N 1 2 344.480 3.896 20 0 EHADLO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)s1 ZINC000450756766 1034776040 /nfs/dbraw/zinc/77/60/40/1034776040.db2.gz LRYFWFXTKAXCEB-KRWDZBQOSA-N 1 2 344.528 3.662 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2ccc(C)c(Br)c2)c[nH+]1 ZINC000456835596 1034780502 /nfs/dbraw/zinc/78/05/02/1034780502.db2.gz ISZDVSFTZIJUSP-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456839380 1034787403 /nfs/dbraw/zinc/78/74/03/1034787403.db2.gz MVEVLTSHFSFVAP-CYBMUJFWSA-N 1 2 344.842 3.877 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3ccc(F)cc3)CCCC2)c[nH+]1 ZINC000456843105 1034787903 /nfs/dbraw/zinc/78/79/03/1034787903.db2.gz GQZRUAPVOYHKTJ-UHFFFAOYSA-N 1 2 326.415 3.966 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000529940442 1034799577 /nfs/dbraw/zinc/79/95/77/1034799577.db2.gz LBSCRYPOPFCVAI-OAHLLOKOSA-N 1 2 348.450 3.930 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)CSc2ccc(F)cc2)c[nH+]1 ZINC000456852676 1034810299 /nfs/dbraw/zinc/81/02/99/1034810299.db2.gz XDYHIFPXIMKCAE-ZDUSSCGKSA-N 1 2 332.444 3.882 20 0 EHADLO O=C(c1cccc(Cl)c1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121306828 1034814772 /nfs/dbraw/zinc/81/47/72/1034814772.db2.gz PCZRYAUQQYYIQQ-LBPRGKRZSA-N 1 2 337.206 3.682 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000612347644 1034822906 /nfs/dbraw/zinc/82/29/06/1034822906.db2.gz PDWVNSZBXKTXEM-ZIAGYGMSSA-N 1 2 343.393 3.805 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)no2)c1 ZINC000450827390 1034833918 /nfs/dbraw/zinc/83/39/18/1034833918.db2.gz JXAAUQDPKDNLKY-LBPRGKRZSA-N 1 2 328.338 3.507 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@]3(C)Cc3ccccc3)[nH+]c12 ZINC000545246452 1034888602 /nfs/dbraw/zinc/88/86/02/1034888602.db2.gz SSNBGZVCVCCEDQ-JOCHJYFZSA-N 1 2 347.462 3.809 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000612442440 1034938540 /nfs/dbraw/zinc/93/85/40/1034938540.db2.gz WUOCRVDQRFXUIQ-OALUTQOASA-N 1 2 333.435 3.610 20 0 EHADLO CCc1ccc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000450934162 1034938799 /nfs/dbraw/zinc/93/87/99/1034938799.db2.gz WBVJRYIEZXJUKO-UHFFFAOYSA-N 1 2 341.430 3.543 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000413771573 1034993745 /nfs/dbraw/zinc/99/37/45/1034993745.db2.gz AAKUUVHEAQHTOI-PKOBYXMFSA-N 1 2 329.488 3.551 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000451043052 1035042618 /nfs/dbraw/zinc/04/26/18/1035042618.db2.gz FGECOYLDINAIHF-SECBINFHSA-N 1 2 344.629 3.588 20 0 EHADLO Clc1sc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1Br ZINC000376020939 1035134322 /nfs/dbraw/zinc/13/43/22/1035134322.db2.gz IQQVGEBPZCZYHH-MRVPVSSYSA-N 1 2 336.682 3.632 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCCC[C@H]1C1CCC1 ZINC000636109774 1035198283 /nfs/dbraw/zinc/19/82/83/1035198283.db2.gz AOFLHJVBTHKERO-UONOGXRCSA-N 1 2 329.366 3.558 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061738 1035203441 /nfs/dbraw/zinc/20/34/41/1035203441.db2.gz KYIWKIPTKXYMQE-JKSUJKDBSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061738 1035203445 /nfs/dbraw/zinc/20/34/45/1035203445.db2.gz KYIWKIPTKXYMQE-JKSUJKDBSA-N 1 2 336.407 3.510 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1Cl)CC1CC1 ZINC000376074613 1035221118 /nfs/dbraw/zinc/22/11/18/1035221118.db2.gz PBFQQZDTYOMPPL-OAHLLOKOSA-N 1 2 343.858 3.538 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636250549 1035390262 /nfs/dbraw/zinc/39/02/62/1035390262.db2.gz PHLKWVPGOPPORK-OLZOCXBDSA-N 1 2 331.382 3.709 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)C1CCCCC1 ZINC000177834414 1035410463 /nfs/dbraw/zinc/41/04/63/1035410463.db2.gz APHCKTUZZAMMLK-AWEZNQCLSA-N 1 2 337.895 3.737 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)C1CCCCC1 ZINC000177834414 1035410465 /nfs/dbraw/zinc/41/04/65/1035410465.db2.gz APHCKTUZZAMMLK-AWEZNQCLSA-N 1 2 337.895 3.737 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(Cc2cccs2)CCCCC1 ZINC000685854154 1035428457 /nfs/dbraw/zinc/42/84/57/1035428457.db2.gz WPWNGBWRHGAYAI-OAHLLOKOSA-N 1 2 343.496 3.569 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291776 1035437654 /nfs/dbraw/zinc/43/76/54/1035437654.db2.gz RNEFDHMLVGRNLB-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291776 1035437656 /nfs/dbraw/zinc/43/76/56/1035437656.db2.gz RNEFDHMLVGRNLB-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C/C=C/C[C@@H]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636292226 1035453538 /nfs/dbraw/zinc/45/35/38/1035453538.db2.gz QCPIPUMMAOTSSN-DHMVDLOISA-N 1 2 329.366 3.581 20 0 EHADLO CC[NH+](CC)Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000589034295 1035495047 /nfs/dbraw/zinc/49/50/47/1035495047.db2.gz WEXZGESRNONDMX-UHFFFAOYSA-N 1 2 339.411 3.948 20 0 EHADLO CC(C)Cc1ccc(/C=C\C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000492240705 1035519665 /nfs/dbraw/zinc/51/96/65/1035519665.db2.gz AGYPISQRRDMLMK-QWUACUGRSA-N 1 2 337.467 3.648 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2oc3ccccc3c2C)s1 ZINC000414111033 1035550026 /nfs/dbraw/zinc/55/00/26/1035550026.db2.gz IRFJTBRRWZZNDM-LLVKDONJSA-N 1 2 330.409 3.835 20 0 EHADLO Fc1cccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1 ZINC000463501998 1035561582 /nfs/dbraw/zinc/56/15/82/1035561582.db2.gz CAIDQMMYIUDHAG-UHFFFAOYSA-N 1 2 346.409 3.847 20 0 EHADLO CCCc1cnc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000431800601 1035587964 /nfs/dbraw/zinc/58/79/64/1035587964.db2.gz WTWWXRBCLFPRRA-UHFFFAOYSA-N 1 2 340.452 3.522 20 0 EHADLO COC(=O)c1ccc(CSCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000540724115 1035613207 /nfs/dbraw/zinc/61/32/07/1035613207.db2.gz YCUFNTJBVQAUJG-UHFFFAOYSA-N 1 2 331.437 3.927 20 0 EHADLO Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCn4ccnc43)ccn2)c1C ZINC000571733902 1035632605 /nfs/dbraw/zinc/63/26/05/1035632605.db2.gz HDPJKAZTBHMFLA-QGZVFWFLSA-N 1 2 334.423 3.922 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)[C@H](c2ccco2)C1 ZINC000173955436 1035725875 /nfs/dbraw/zinc/72/58/75/1035725875.db2.gz CQRLDOWIEQBUOY-CVEARBPZSA-N 1 2 342.443 3.659 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669259383 1035760259 /nfs/dbraw/zinc/76/02/59/1035760259.db2.gz QBKCFDBXCIAKRU-IPMKNSEASA-N 1 2 339.483 3.702 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3c(F)cccc32)s1 ZINC000414145181 1035763067 /nfs/dbraw/zinc/76/30/67/1035763067.db2.gz PBWZVWCSUKCLIV-HZMBPMFUSA-N 1 2 334.416 3.797 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2csc(-c3ccco3)n2)c(C)[nH+]1 ZINC000187136051 1035769101 /nfs/dbraw/zinc/76/91/01/1035769101.db2.gz WWMZDMCGSBUABF-QFIPXVFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2csc(Br)c2)c(C)[nH+]1 ZINC000187147305 1035769882 /nfs/dbraw/zinc/76/98/82/1035769882.db2.gz FKLVCIDQNLJMOR-GOSISDBHSA-N 1 2 344.299 3.971 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)s1 ZINC000414150276 1035789331 /nfs/dbraw/zinc/78/93/31/1035789331.db2.gz OVHBRHVXZRSAKX-OCCSQVGLSA-N 1 2 345.468 3.552 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)s1 ZINC000414150273 1035789864 /nfs/dbraw/zinc/78/98/64/1035789864.db2.gz OVHBRHVXZRSAKX-JSGCOSHPSA-N 1 2 345.468 3.552 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccoc1 ZINC000588169119 1035793638 /nfs/dbraw/zinc/79/36/38/1035793638.db2.gz YBVPDDGMBCWHIV-CQSZACIVSA-N 1 2 334.847 3.975 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccoc1 ZINC000588169119 1035793646 /nfs/dbraw/zinc/79/36/46/1035793646.db2.gz YBVPDDGMBCWHIV-CQSZACIVSA-N 1 2 334.847 3.975 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)C2CCC2)cs1)c1ccccc1F ZINC000173916412 1035801855 /nfs/dbraw/zinc/80/18/55/1035801855.db2.gz MJPZEKJHVPERKK-UHFFFAOYSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)C2CCC2)cs1)c1ccccc1F ZINC000173916412 1035801872 /nfs/dbraw/zinc/80/18/72/1035801872.db2.gz MJPZEKJHVPERKK-UHFFFAOYSA-N 1 2 333.432 3.951 20 0 EHADLO c1cn(-c2ccc(CSc3ncn(-c4ccccc4)n3)cc2)c[nH+]1 ZINC000187844116 1035861719 /nfs/dbraw/zinc/86/17/19/1035861719.db2.gz QLFOAFWOQJTXBS-UHFFFAOYSA-N 1 2 333.420 3.745 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)on1 ZINC000613456149 1035934936 /nfs/dbraw/zinc/93/49/36/1035934936.db2.gz CYCOHAGNSIHKTQ-XLIONFOSSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)on1 ZINC000613456149 1035934944 /nfs/dbraw/zinc/93/49/44/1035934944.db2.gz CYCOHAGNSIHKTQ-XLIONFOSSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)c(C)c[nH+]1 ZINC000535035767 1035941784 /nfs/dbraw/zinc/94/17/84/1035941784.db2.gz GJLXWTGELBFVGZ-UHFFFAOYSA-N 1 2 345.240 3.553 20 0 EHADLO C[C@H](CC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000572004231 1035965459 /nfs/dbraw/zinc/96/54/59/1035965459.db2.gz CHOPBOWTTIFQRX-CQSZACIVSA-N 1 2 349.837 3.975 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000613464850 1035967188 /nfs/dbraw/zinc/96/71/88/1035967188.db2.gz NJOWBGSDWSFMMG-AWEZNQCLSA-N 1 2 344.455 3.957 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000613464850 1035967199 /nfs/dbraw/zinc/96/71/99/1035967199.db2.gz NJOWBGSDWSFMMG-AWEZNQCLSA-N 1 2 344.455 3.957 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c(C)c[nH+]1 ZINC000535059407 1035969642 /nfs/dbraw/zinc/96/96/42/1035969642.db2.gz HDTINLVDVPTONL-HNNXBMFYSA-N 1 2 337.345 3.936 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)s1 ZINC000535068777 1035985300 /nfs/dbraw/zinc/98/53/00/1035985300.db2.gz XLGRJUCCKQXQDS-UHFFFAOYSA-N 1 2 346.887 3.596 20 0 EHADLO CC1(C)Cc2ccsc2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000457335628 1036003446 /nfs/dbraw/zinc/00/34/46/1036003446.db2.gz YWPBSWCXLLQIDW-UHFFFAOYSA-N 1 2 337.448 3.911 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000572133462 1036008990 /nfs/dbraw/zinc/00/89/90/1036008990.db2.gz CAHGFJMEBGVOMB-HRAATJIYSA-N 1 2 345.446 3.763 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000572133462 1036009007 /nfs/dbraw/zinc/00/90/07/1036009007.db2.gz CAHGFJMEBGVOMB-HRAATJIYSA-N 1 2 345.446 3.763 20 0 EHADLO CCC(C)(C)OCc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000613478554 1036012728 /nfs/dbraw/zinc/01/27/28/1036012728.db2.gz FMBLMIVYOIVAOD-HNNXBMFYSA-N 1 2 341.455 3.789 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2nccn21 ZINC000572211166 1036042696 /nfs/dbraw/zinc/04/26/96/1036042696.db2.gz OPRSNRCEUIAHNL-CRAIPNDOSA-N 1 2 334.423 3.653 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174660197 1036046041 /nfs/dbraw/zinc/04/60/41/1036046041.db2.gz ZBZHFVQVNXBCSB-NSHDSACASA-N 1 2 339.386 3.862 20 0 EHADLO COC(=O)c1coc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000572325196 1036068408 /nfs/dbraw/zinc/06/84/08/1036068408.db2.gz YBWCCSHMDVSURP-UHFFFAOYSA-N 1 2 329.371 3.885 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(Cl)cc3c2OCC3)o1 ZINC000541201446 1036072964 /nfs/dbraw/zinc/07/29/64/1036072964.db2.gz HASYNCPCEDMLEK-MRXNPFEDSA-N 1 2 335.831 3.908 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCOCC1CC1 ZINC000428778788 1036111445 /nfs/dbraw/zinc/11/14/45/1036111445.db2.gz BALJUBYHVLVAQU-DYVFJYSZSA-N 1 2 343.389 3.894 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCOCC1CC1 ZINC000428778788 1036111452 /nfs/dbraw/zinc/11/14/52/1036111452.db2.gz BALJUBYHVLVAQU-DYVFJYSZSA-N 1 2 343.389 3.894 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1CCC(C2CC2)CC1 ZINC000666198366 1036122305 /nfs/dbraw/zinc/12/23/05/1036122305.db2.gz DIOQUFYGWZABQI-UHFFFAOYSA-N 1 2 337.467 3.764 20 0 EHADLO Fc1ccc2sc(NCc3cc(-n4cc[nH+]c4)cs3)nc2c1F ZINC000541280880 1036135963 /nfs/dbraw/zinc/13/59/63/1036135963.db2.gz INUXONCRDDCJBV-UHFFFAOYSA-N 1 2 348.403 3.856 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000457480518 1036152172 /nfs/dbraw/zinc/15/21/72/1036152172.db2.gz JHZWBNJSIOGJPS-NWDGAFQWSA-N 1 2 345.459 3.995 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000457480518 1036152186 /nfs/dbraw/zinc/15/21/86/1036152186.db2.gz JHZWBNJSIOGJPS-NWDGAFQWSA-N 1 2 345.459 3.995 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)C(C)(C)C3CCCC3)c2)CC1 ZINC000535233167 1036190313 /nfs/dbraw/zinc/19/03/13/1036190313.db2.gz JKTLOJNLOYNYCZ-UHFFFAOYSA-N 1 2 343.515 3.589 20 0 EHADLO COc1ccnc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1OC ZINC000190573007 1036259729 /nfs/dbraw/zinc/25/97/29/1036259729.db2.gz ZRCFUWUJWHLFHV-QGZVFWFLSA-N 1 2 344.480 3.697 20 0 EHADLO COc1ccnc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1OC ZINC000190573007 1036259740 /nfs/dbraw/zinc/25/97/40/1036259740.db2.gz ZRCFUWUJWHLFHV-QGZVFWFLSA-N 1 2 344.480 3.697 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3cc(-c4ccccc4)on3)CC2)cs1 ZINC000535254447 1036269779 /nfs/dbraw/zinc/26/97/79/1036269779.db2.gz IGWTXNRLAOMQEX-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535282558 1036279126 /nfs/dbraw/zinc/27/91/26/1036279126.db2.gz ABVZZCKHPCQYNA-CYBMUJFWSA-N 1 2 340.389 3.621 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535282558 1036279143 /nfs/dbraw/zinc/27/91/43/1036279143.db2.gz ABVZZCKHPCQYNA-CYBMUJFWSA-N 1 2 340.389 3.621 20 0 EHADLO Cc1cc(N2CCC[C@H](c3nncn3C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892584579 1036309235 /nfs/dbraw/zinc/30/92/35/1036309235.db2.gz MNGLZPBSNGJBHH-INIZCTEOSA-N 1 2 340.475 3.609 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)C ZINC000191337313 1036369632 /nfs/dbraw/zinc/36/96/32/1036369632.db2.gz YVDLLRUVOAPFEK-BBRMVZONSA-N 1 2 330.480 3.673 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000191634929 1036400732 /nfs/dbraw/zinc/40/07/32/1036400732.db2.gz DXGGACJJDOIFEA-UHFFFAOYSA-N 1 2 345.805 3.963 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175562249 1036406092 /nfs/dbraw/zinc/40/60/92/1036406092.db2.gz ZXUGTZBBNVXKKR-HZPDHXFCSA-N 1 2 328.460 3.555 20 0 EHADLO CCN(C)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cn1 ZINC000191530389 1036410009 /nfs/dbraw/zinc/41/00/09/1036410009.db2.gz QLFOZKUVRWSVPA-UHFFFAOYSA-N 1 2 325.460 3.535 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1nc(C(C)(C)C)no1 ZINC000191574294 1036415837 /nfs/dbraw/zinc/41/58/37/1036415837.db2.gz URJQUNCPNQUBKP-LLVKDONJSA-N 1 2 345.472 3.680 20 0 EHADLO CC(C)c1c(NCc2c[nH+]cn2C)cnn1-c1ccccc1Cl ZINC000191730045 1036423559 /nfs/dbraw/zinc/42/35/59/1036423559.db2.gz LKNVYKJAIRRTNE-UHFFFAOYSA-N 1 2 329.835 3.995 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000376389433 1036463794 /nfs/dbraw/zinc/46/37/94/1036463794.db2.gz VUWFTWLOEUSKLS-UHFFFAOYSA-N 1 2 336.842 3.973 20 0 EHADLO Cc1cc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000541595645 1036480190 /nfs/dbraw/zinc/48/01/90/1036480190.db2.gz VSKCCXDZUFBZOS-DLBZAZTESA-N 1 2 329.419 3.802 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1ncccn1 ZINC000192181984 1036483692 /nfs/dbraw/zinc/48/36/92/1036483692.db2.gz DBENERRVVYSCNH-NSHDSACASA-N 1 2 328.416 3.898 20 0 EHADLO CCn1c(C)cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1C ZINC000572776816 1036493258 /nfs/dbraw/zinc/49/32/58/1036493258.db2.gz XKWVPYPVPHXXEW-QAQDUYKDSA-N 1 2 340.471 3.673 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cccc(OC(C)(C)C)n2)o1 ZINC000541623629 1036513763 /nfs/dbraw/zinc/51/37/63/1036513763.db2.gz UBBLLUUDIZQMTQ-INIZCTEOSA-N 1 2 332.444 3.892 20 0 EHADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000464502777 1036515961 /nfs/dbraw/zinc/51/59/61/1036515961.db2.gz RYHVBUYOMZJZNF-NKSUMMKUSA-N 1 2 345.516 3.948 20 0 EHADLO CC(C)(C)n1nnnc1C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000464502777 1036515977 /nfs/dbraw/zinc/51/59/77/1036515977.db2.gz RYHVBUYOMZJZNF-NKSUMMKUSA-N 1 2 345.516 3.948 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000457812016 1036525131 /nfs/dbraw/zinc/52/51/31/1036525131.db2.gz ITLGHWOUWSAIJP-YOEHRIQHSA-N 1 2 346.862 3.862 20 0 EHADLO O=C(/C=C\c1cccc(-c2ccccc2)c1)N1CCn2c[nH+]cc2C1 ZINC000493020595 1036534013 /nfs/dbraw/zinc/53/40/13/1036534013.db2.gz SIRQSJKMOQVUNO-KTKRTIGZSA-N 1 2 329.403 3.606 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccncc1 ZINC000192593131 1036535034 /nfs/dbraw/zinc/53/50/34/1036535034.db2.gz HZGUWUUZPGFXFT-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000064555949 1036545040 /nfs/dbraw/zinc/54/50/40/1036545040.db2.gz SYOUJTHLQDTXPG-UHFFFAOYSA-N 1 2 327.771 3.968 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2n[nH]c3ccccc32)cc1OC ZINC000589640654 1036571300 /nfs/dbraw/zinc/57/13/00/1036571300.db2.gz JXDRPUSDGMULGI-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CCS1 ZINC000464584057 1036578447 /nfs/dbraw/zinc/57/84/47/1036578447.db2.gz HEAVPSAZYJMURO-AWEZNQCLSA-N 1 2 348.512 3.824 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CCS1 ZINC000464584057 1036578460 /nfs/dbraw/zinc/57/84/60/1036578460.db2.gz HEAVPSAZYJMURO-AWEZNQCLSA-N 1 2 348.512 3.824 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc12 ZINC000589705239 1036596885 /nfs/dbraw/zinc/59/68/85/1036596885.db2.gz GCBFXVPGFYNXGY-GOSISDBHSA-N 1 2 349.434 3.751 20 0 EHADLO Cc1cccn2cc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc12 ZINC000589705239 1036596896 /nfs/dbraw/zinc/59/68/96/1036596896.db2.gz GCBFXVPGFYNXGY-GOSISDBHSA-N 1 2 349.434 3.751 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168177142 1036614951 /nfs/dbraw/zinc/61/49/51/1036614951.db2.gz MGEYVAFGPCTPAT-UONOGXRCSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168177142 1036614960 /nfs/dbraw/zinc/61/49/60/1036614960.db2.gz MGEYVAFGPCTPAT-UONOGXRCSA-N 1 2 333.863 3.691 20 0 EHADLO Cc1ccc(Cc2nc(C(=O)Nc3ccn4cc[nH+]c4c3)cs2)cc1 ZINC000347366888 1036719856 /nfs/dbraw/zinc/71/98/56/1036719856.db2.gz YMPRWEZTHNWZDK-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000541870729 1036737084 /nfs/dbraw/zinc/73/70/84/1036737084.db2.gz KULZNTKQAFYJCD-GDWUOILNSA-N 1 2 338.455 3.551 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(C)s2)cc1OCC ZINC000541870998 1036739462 /nfs/dbraw/zinc/73/94/62/1036739462.db2.gz NVMISDNEJQRJBZ-UHFFFAOYSA-N 1 2 335.473 3.714 20 0 EHADLO CN1CC[N@H+](Cc2csc(Br)c2)Cc2ccccc21 ZINC000590063741 1036744850 /nfs/dbraw/zinc/74/48/50/1036744850.db2.gz CKKJWRDXRHNTKO-UHFFFAOYSA-N 1 2 337.286 3.963 20 0 EHADLO CN1CC[N@@H+](Cc2csc(Br)c2)Cc2ccccc21 ZINC000590063741 1036744866 /nfs/dbraw/zinc/74/48/66/1036744866.db2.gz CKKJWRDXRHNTKO-UHFFFAOYSA-N 1 2 337.286 3.963 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768846 1036756708 /nfs/dbraw/zinc/75/67/08/1036756708.db2.gz GQYSDSKYRGOMOX-CVEARBPZSA-N 1 2 338.904 3.519 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768846 1036756727 /nfs/dbraw/zinc/75/67/27/1036756727.db2.gz GQYSDSKYRGOMOX-CVEARBPZSA-N 1 2 338.904 3.519 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1CSCCn1cc[nH+]c1 ZINC000090201164 1036812316 /nfs/dbraw/zinc/81/23/16/1036812316.db2.gz NZUKCVIMOOONAR-UHFFFAOYSA-N 1 2 332.860 3.964 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc3ccccc3nc2OC)o1 ZINC000539502453 1036819787 /nfs/dbraw/zinc/81/97/87/1036819787.db2.gz CANIZBDEBVKXHS-GOSISDBHSA-N 1 2 340.423 3.876 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000590286570 1036821098 /nfs/dbraw/zinc/82/10/98/1036821098.db2.gz JJWBISQZNRATON-QGZVFWFLSA-N 1 2 346.515 3.802 20 0 EHADLO CCCN(Cc1ccccc1Br)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493204915 1036892451 /nfs/dbraw/zinc/89/24/51/1036892451.db2.gz JSVQULXAVFUGQJ-BQYQJAHWSA-N 1 2 348.244 3.624 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464851715 1036900338 /nfs/dbraw/zinc/90/03/38/1036900338.db2.gz QLRTVPNISNYCGN-UKRRQHHQSA-N 1 2 332.469 3.739 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464851715 1036900354 /nfs/dbraw/zinc/90/03/54/1036900354.db2.gz QLRTVPNISNYCGN-UKRRQHHQSA-N 1 2 332.469 3.739 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC2(CCCCC2)CC1 ZINC000177753734 1036926197 /nfs/dbraw/zinc/92/61/97/1036926197.db2.gz YJGCUUBOYJPEID-UHFFFAOYSA-N 1 2 326.444 3.590 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@H]1c1ccccc1 ZINC000177776811 1036931413 /nfs/dbraw/zinc/93/14/13/1036931413.db2.gz CPIZGYVUYVYOPZ-QFBILLFUSA-N 1 2 348.450 3.670 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(C(F)(F)F)c1 ZINC001143473023 1036940145 /nfs/dbraw/zinc/94/01/45/1036940145.db2.gz JYWYNSZBNPDOOB-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(C(F)(F)F)c1 ZINC001143473023 1036940160 /nfs/dbraw/zinc/94/01/60/1036940160.db2.gz JYWYNSZBNPDOOB-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728648 1037006467 /nfs/dbraw/zinc/00/64/67/1037006467.db2.gz AQXRVWZVJPVXII-SFHVURJKSA-N 1 2 341.455 3.557 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590727022 1037006561 /nfs/dbraw/zinc/00/65/61/1037006561.db2.gz HRVZBEZENJUNPK-UONOGXRCSA-N 1 2 349.887 3.881 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727021 1037008239 /nfs/dbraw/zinc/00/82/39/1037008239.db2.gz HRVZBEZENJUNPK-KGLIPLIRSA-N 1 2 349.887 3.881 20 0 EHADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000590712729 1037018480 /nfs/dbraw/zinc/01/84/80/1037018480.db2.gz JXGUINIIJBCPQJ-HNNXBMFYSA-N 1 2 347.484 3.692 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000007224802 1037030047 /nfs/dbraw/zinc/03/00/47/1037030047.db2.gz LWVSOIOZVMSJPQ-IBGZPJMESA-N 1 2 335.382 3.690 20 0 EHADLO C[C@@H](C[N@@H+]1CCO[C@H](CCF)C1)c1cccc(Br)c1 ZINC000628458298 1037030176 /nfs/dbraw/zinc/03/01/76/1037030176.db2.gz KWYZCNPHNHUVNC-SWLSCSKDSA-N 1 2 330.241 3.613 20 0 EHADLO C[C@@H](C[N@H+]1CCO[C@H](CCF)C1)c1cccc(Br)c1 ZINC000628458298 1037030192 /nfs/dbraw/zinc/03/01/92/1037030192.db2.gz KWYZCNPHNHUVNC-SWLSCSKDSA-N 1 2 330.241 3.613 20 0 EHADLO O=C(c1ccccc1Cc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733520 1037034993 /nfs/dbraw/zinc/03/49/93/1037034993.db2.gz WQBWVYNFNHUSFT-FQEVSTJZSA-N 1 2 345.446 3.951 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000590799592 1037066220 /nfs/dbraw/zinc/06/62/20/1037066220.db2.gz IBLXTGBSADGCAR-LBPRGKRZSA-N 1 2 333.461 3.506 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000666456602 1037073208 /nfs/dbraw/zinc/07/32/08/1037073208.db2.gz PJGCOUVDBGNKDE-GOSISDBHSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000636436110 1037077028 /nfs/dbraw/zinc/07/70/28/1037077028.db2.gz OFTWVLSYENPKOY-GFCCVEGCSA-N 1 2 337.345 3.720 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168453968 1037093650 /nfs/dbraw/zinc/09/36/50/1037093650.db2.gz JWSFNFNBRRQLKN-UZLBHIALSA-N 1 2 343.442 3.911 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000542143198 1037102767 /nfs/dbraw/zinc/10/27/67/1037102767.db2.gz PGEREJVTCBPJEW-LPHOPBHVSA-N 1 2 348.450 3.812 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590860068 1037103060 /nfs/dbraw/zinc/10/30/60/1037103060.db2.gz LWQSRDCDTIFWKV-DYVFJYSZSA-N 1 2 344.846 3.571 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590857789 1037103091 /nfs/dbraw/zinc/10/30/91/1037103091.db2.gz HDKPTZZBPBTKHW-HXUWFJFHSA-N 1 2 348.450 3.626 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)CCC=C2 ZINC000341633374 1037114319 /nfs/dbraw/zinc/11/43/19/1037114319.db2.gz KEQSLEPNNPKIFY-UHFFFAOYSA-N 1 2 348.446 3.731 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105005580 1037125600 /nfs/dbraw/zinc/12/56/00/1037125600.db2.gz LNSAFPPUZXLOAT-UHFFFAOYSA-N 1 2 346.406 3.633 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351188657 1037143649 /nfs/dbraw/zinc/14/36/49/1037143649.db2.gz WNMDNPGVLVCBPU-CHWSQXEVSA-N 1 2 334.301 3.647 20 0 EHADLO CC1CCC(C)(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000105140606 1037150655 /nfs/dbraw/zinc/15/06/55/1037150655.db2.gz OHIXZLDCTFOPOD-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO Fc1ccc(NC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000105609037 1037204374 /nfs/dbraw/zinc/20/43/74/1037204374.db2.gz RETYIBQFMYCZQP-UHFFFAOYSA-N 1 2 342.374 3.545 20 0 EHADLO O=C(C[NH+]1CCC(Oc2ccccc2Cl)CC1)Nc1ccccc1 ZINC000039306984 1037265319 /nfs/dbraw/zinc/26/53/19/1037265319.db2.gz CTVHQFPFLOXJAN-UHFFFAOYSA-N 1 2 344.842 3.822 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)s1 ZINC000052713090 1037268256 /nfs/dbraw/zinc/26/82/56/1037268256.db2.gz MYOWONCNSRQRFD-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CCC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000591231425 1037280380 /nfs/dbraw/zinc/28/03/80/1037280380.db2.gz JCCHTHMHRHBUOM-IBGZPJMESA-N 1 2 334.423 3.598 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610949737 1037329460 /nfs/dbraw/zinc/32/94/60/1037329460.db2.gz CBJXCLZIYUISPU-AEFFLSMTSA-N 1 2 343.496 3.616 20 0 EHADLO CCS[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301484507 1037386475 /nfs/dbraw/zinc/38/64/75/1037386475.db2.gz GPSVRQLNLIWNEN-HZPDHXFCSA-N 1 2 339.468 3.902 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(Cc3nccs3)CC2)c(C)[nH+]1 ZINC000913648036 1037456807 /nfs/dbraw/zinc/45/68/07/1037456807.db2.gz PBJMJQSYDIKCJD-UHFFFAOYSA-N 1 2 329.469 3.558 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000177357270 1037491852 /nfs/dbraw/zinc/49/18/52/1037491852.db2.gz ZULQWMWYJVCXKJ-UHFFFAOYSA-N 1 2 336.457 3.727 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(Cl)cc2c1OCC2 ZINC000462905090 1037533179 /nfs/dbraw/zinc/53/31/79/1037533179.db2.gz BTUFQQKMKAGREH-UHFFFAOYSA-N 1 2 339.782 3.713 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccccn1 ZINC000491518292 1037533694 /nfs/dbraw/zinc/53/36/94/1037533694.db2.gz BJGZAWDGCDWNNV-ZBWUASRJSA-N 1 2 344.418 3.644 20 0 EHADLO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ncc(C)cn2)c1 ZINC000760856844 1037544007 /nfs/dbraw/zinc/54/40/07/1037544007.db2.gz YYMLPTSDMFYVNQ-OAQYLSRUSA-N 1 2 347.462 3.829 20 0 EHADLO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ncc(C)cn2)c1 ZINC000760856844 1037544025 /nfs/dbraw/zinc/54/40/25/1037544025.db2.gz YYMLPTSDMFYVNQ-OAQYLSRUSA-N 1 2 347.462 3.829 20 0 EHADLO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ncc(C)cn2)c1 ZINC000760856839 1037545424 /nfs/dbraw/zinc/54/54/24/1037545424.db2.gz YYMLPTSDMFYVNQ-NRFANRHFSA-N 1 2 347.462 3.829 20 0 EHADLO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ncc(C)cn2)c1 ZINC000760856839 1037545454 /nfs/dbraw/zinc/54/54/54/1037545454.db2.gz YYMLPTSDMFYVNQ-NRFANRHFSA-N 1 2 347.462 3.829 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(C3CC3)cc2F)nn1 ZINC000491580152 1037557921 /nfs/dbraw/zinc/55/79/21/1037557921.db2.gz YFAPNRXAZAGFKN-UHFFFAOYSA-N 1 2 336.414 3.882 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000101995598 1037575648 /nfs/dbraw/zinc/57/56/48/1037575648.db2.gz LUFKIPOFRPSATM-UHFFFAOYSA-N 1 2 348.450 3.993 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314837 1037588815 /nfs/dbraw/zinc/58/88/15/1037588815.db2.gz ALNKUFPYTWZXLM-GOSISDBHSA-N 1 2 340.471 3.641 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@@H](C(C)C)C1 ZINC000463004397 1037649679 /nfs/dbraw/zinc/64/96/79/1037649679.db2.gz ARWYXNOFUOERKG-QGZVFWFLSA-N 1 2 344.480 3.989 20 0 EHADLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000591810923 1037652691 /nfs/dbraw/zinc/65/26/91/1037652691.db2.gz MKUPUIOWRQZYIV-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000591810923 1037652704 /nfs/dbraw/zinc/65/27/04/1037652704.db2.gz MKUPUIOWRQZYIV-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271204648 1037657041 /nfs/dbraw/zinc/65/70/41/1037657041.db2.gz JVMWGICLYZEWFT-NSHDSACASA-N 1 2 337.345 3.744 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271204648 1037657054 /nfs/dbraw/zinc/65/70/54/1037657054.db2.gz JVMWGICLYZEWFT-NSHDSACASA-N 1 2 337.345 3.744 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@](C)(Cc3ccccc3)C3CC3)[nH+]c12 ZINC000573682088 1037663033 /nfs/dbraw/zinc/66/30/33/1037663033.db2.gz AHBOEFQQBOMIDD-QFIPXVFZSA-N 1 2 347.462 3.713 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000463035858 1037675885 /nfs/dbraw/zinc/67/58/85/1037675885.db2.gz PZBFMKNGHNLBLT-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO CSCC[C@@H](Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21)C(C)(C)O ZINC001168213420 1037678068 /nfs/dbraw/zinc/67/80/68/1037678068.db2.gz UZYWWTNUXGWUES-LLVKDONJSA-N 1 2 347.406 3.886 20 0 EHADLO COc1cccc(C[C@@H](C)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)n1 ZINC000463036718 1037678463 /nfs/dbraw/zinc/67/84/63/1037678463.db2.gz KKFPRAGJWFSHAM-CQSZACIVSA-N 1 2 336.439 3.936 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000463029602 1037687107 /nfs/dbraw/zinc/68/71/07/1037687107.db2.gz AFTONFYQKYXLSA-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@@H](c2ccccc2)c2ccccn2)c1C ZINC000110030453 1037695174 /nfs/dbraw/zinc/69/51/74/1037695174.db2.gz FKMBZDAFIIUHCV-FQEVSTJZSA-N 1 2 333.435 3.981 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000463064862 1037717637 /nfs/dbraw/zinc/71/76/37/1037717637.db2.gz RKCSQYKWHWIBPB-ICSRJNTNSA-N 1 2 337.467 3.973 20 0 EHADLO COc1ccc2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000029912207 1037739435 /nfs/dbraw/zinc/73/94/35/1037739435.db2.gz CGMMIGRIIWPEMQ-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(C2CC2)n1 ZINC000573896376 1037795647 /nfs/dbraw/zinc/79/56/47/1037795647.db2.gz XFNVAJVKMWQVKZ-UHFFFAOYSA-N 1 2 347.422 3.526 20 0 EHADLO CCCc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000494099594 1037820321 /nfs/dbraw/zinc/82/03/21/1037820321.db2.gz SMUQCZRIBBYKRC-HNNXBMFYSA-N 1 2 349.887 3.644 20 0 EHADLO CC(C)(CC(=O)N1CCn2c[nH+]cc2C1)Cc1ccc(Cl)cc1 ZINC000378076916 1037826297 /nfs/dbraw/zinc/82/62/97/1037826297.db2.gz IGFNCGGQJKQELM-UHFFFAOYSA-N 1 2 331.847 3.538 20 0 EHADLO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC001168232577 1037835956 /nfs/dbraw/zinc/83/59/56/1037835956.db2.gz CEUPLLDHBYFDDZ-ZFWWWQNUSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC001168232577 1037835974 /nfs/dbraw/zinc/83/59/74/1037835974.db2.gz CEUPLLDHBYFDDZ-ZFWWWQNUSA-N 1 2 327.346 3.651 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc(C)c(C)c(=O)[nH]1 ZINC000475885789 1037860993 /nfs/dbraw/zinc/86/09/93/1037860993.db2.gz YVRCZMYPLSGFCK-UHFFFAOYSA-N 1 2 326.425 3.585 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378083125 1037863445 /nfs/dbraw/zinc/86/34/45/1037863445.db2.gz JXXNIYWHCBPKQQ-UHFFFAOYSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378083125 1037863464 /nfs/dbraw/zinc/86/34/64/1037863464.db2.gz JXXNIYWHCBPKQQ-UHFFFAOYSA-N 1 2 347.846 3.627 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119029935 1037882629 /nfs/dbraw/zinc/88/26/29/1037882629.db2.gz KPFUWIOWRBBGNR-CYBMUJFWSA-N 1 2 343.402 3.545 20 0 EHADLO CCCc1csc(C[NH2+]Cc2ccc(C)cc2OCCOC)n1 ZINC000494185635 1037890302 /nfs/dbraw/zinc/89/03/02/1037890302.db2.gz LTCMRTYHDBYPQJ-UHFFFAOYSA-N 1 2 334.485 3.719 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000463218876 1037892128 /nfs/dbraw/zinc/89/21/28/1037892128.db2.gz NFTCPFYTLWFISD-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCOc1cccc2ccccc21 ZINC000463228418 1037905548 /nfs/dbraw/zinc/90/55/48/1037905548.db2.gz FJHJWBAYWJNNDA-FQEVSTJZSA-N 1 2 336.435 3.631 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCOc1cccc2ccccc21 ZINC000463228418 1037905568 /nfs/dbraw/zinc/90/55/68/1037905568.db2.gz FJHJWBAYWJNNDA-FQEVSTJZSA-N 1 2 336.435 3.631 20 0 EHADLO CCCc1csc(C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)n1 ZINC000494194288 1037908251 /nfs/dbraw/zinc/90/82/51/1037908251.db2.gz GPGKBTKXDOQBAL-KRWDZBQOSA-N 1 2 346.496 3.862 20 0 EHADLO OC[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1c(F)cccc1F ZINC000271492466 1037933562 /nfs/dbraw/zinc/93/35/62/1037933562.db2.gz PCOXIRAATPJHTB-LSDHHAIUSA-N 1 2 339.382 3.964 20 0 EHADLO COc1cccc(NC(=S)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058466629 1037949192 /nfs/dbraw/zinc/94/91/92/1037949192.db2.gz KNMSAQOGDAPLHT-UHFFFAOYSA-N 1 2 345.468 3.544 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574015133 1037975609 /nfs/dbraw/zinc/97/56/09/1037975609.db2.gz HZNUPFVJLLTMSO-ZACQAIPSSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1c(F)cccc1Cl ZINC000540475644 1037983230 /nfs/dbraw/zinc/98/32/30/1037983230.db2.gz SABDRXKDFKUBKK-NEPJUHHUSA-N 1 2 326.843 3.967 20 0 EHADLO O=C(/C=C\SCc1ccco1)Nc1ccccc1-n1cc[nH+]c1 ZINC000492108642 1037987568 /nfs/dbraw/zinc/98/75/68/1037987568.db2.gz KVVFTHKWJMZPGI-XFFZJAGNSA-N 1 2 325.393 3.851 20 0 EHADLO CCC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000183984657 1037989697 /nfs/dbraw/zinc/98/96/97/1037989697.db2.gz WRZWORICLYCMAW-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000492146568 1038037378 /nfs/dbraw/zinc/03/73/78/1038037378.db2.gz TUIFRLFCOUGFHV-SWFLQVRRSA-N 1 2 329.831 3.659 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000188110805 1038070150 /nfs/dbraw/zinc/07/01/50/1038070150.db2.gz HKDOJHBJEHPVTD-PWSUYJOCSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000188110805 1038070163 /nfs/dbraw/zinc/07/01/63/1038070163.db2.gz HKDOJHBJEHPVTD-PWSUYJOCSA-N 1 2 349.780 3.990 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1cccc(C(F)F)c1)[NH+]1CCOCC1 ZINC000173409320 1038078200 /nfs/dbraw/zinc/07/82/00/1038078200.db2.gz SWSDGAYLTRGJHD-MRXNPFEDSA-N 1 2 340.414 3.700 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000180489913 1038190199 /nfs/dbraw/zinc/19/01/99/1038190199.db2.gz DRHXHMCGFLJLKZ-UHFFFAOYSA-N 1 2 349.308 3.548 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000180489913 1038190207 /nfs/dbraw/zinc/19/02/07/1038190207.db2.gz DRHXHMCGFLJLKZ-UHFFFAOYSA-N 1 2 349.308 3.548 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C)c(F)c2)s1 ZINC000106879361 1038242125 /nfs/dbraw/zinc/24/21/25/1038242125.db2.gz BPDLKHQGFDNVQO-LBPRGKRZSA-N 1 2 335.448 3.839 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C)c(F)c2)s1 ZINC000106879361 1038242141 /nfs/dbraw/zinc/24/21/41/1038242141.db2.gz BPDLKHQGFDNVQO-LBPRGKRZSA-N 1 2 335.448 3.839 20 0 EHADLO O=C(Cc1cccc(OC(F)F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000107115114 1038282714 /nfs/dbraw/zinc/28/27/14/1038282714.db2.gz OAWIVJNWMZIJIE-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C(F)(F)F)CCCC1 ZINC000416225510 1038362969 /nfs/dbraw/zinc/36/29/69/1038362969.db2.gz SQCMYSSGDGQHGM-UHFFFAOYSA-N 1 2 345.409 3.807 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H](C)c1ccccc1 ZINC000538569626 1038396137 /nfs/dbraw/zinc/39/61/37/1038396137.db2.gz GIDYNNUJADWLNN-HNNXBMFYSA-N 1 2 337.423 3.689 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H](C)c1ccccc1 ZINC000538569626 1038396153 /nfs/dbraw/zinc/39/61/53/1038396153.db2.gz GIDYNNUJADWLNN-HNNXBMFYSA-N 1 2 337.423 3.689 20 0 EHADLO CC(C)c1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000667112314 1038404971 /nfs/dbraw/zinc/40/49/71/1038404971.db2.gz AZWFCTOIXDDSBI-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO COC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000667119320 1038457710 /nfs/dbraw/zinc/45/77/10/1038457710.db2.gz PHUSHMYVUBEKMO-QGZVFWFLSA-N 1 2 343.427 3.525 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000659945052 1038463319 /nfs/dbraw/zinc/46/33/19/1038463319.db2.gz ZACHBPAOGAKMAA-ZIAGYGMSSA-N 1 2 347.684 3.623 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000659945052 1038463323 /nfs/dbraw/zinc/46/33/23/1038463323.db2.gz ZACHBPAOGAKMAA-ZIAGYGMSSA-N 1 2 347.684 3.623 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000378340282 1038488078 /nfs/dbraw/zinc/48/80/78/1038488078.db2.gz POSYIJMRXJBTAA-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000378340282 1038488083 /nfs/dbraw/zinc/48/80/83/1038488083.db2.gz POSYIJMRXJBTAA-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO CCCn1cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000538736105 1038501436 /nfs/dbraw/zinc/50/14/36/1038501436.db2.gz ZLJXRHHAWPAXCJ-XLIONFOSSA-N 1 2 327.472 3.872 20 0 EHADLO CCCn1cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000538736105 1038501446 /nfs/dbraw/zinc/50/14/46/1038501446.db2.gz ZLJXRHHAWPAXCJ-XLIONFOSSA-N 1 2 327.472 3.872 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1OCc1ccccc1 ZINC000538726422 1038507759 /nfs/dbraw/zinc/50/77/59/1038507759.db2.gz RESPZEAEHLYSPK-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1OCc1ccccc1 ZINC000538726422 1038507768 /nfs/dbraw/zinc/50/77/68/1038507768.db2.gz RESPZEAEHLYSPK-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccccc1N(C)C ZINC000538755321 1038517338 /nfs/dbraw/zinc/51/73/38/1038517338.db2.gz MGIMGHMKZSQKPK-OXJNMPFZSA-N 1 2 334.467 3.926 20 0 EHADLO FC(F)(F)[C@@H]1C[NH+](Cc2cnc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000659968875 1038546810 /nfs/dbraw/zinc/54/68/10/1038546810.db2.gz CURIYJSONYFAFS-GHMZBOCLSA-N 1 2 349.278 3.802 20 0 EHADLO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000183059438 1038665259 /nfs/dbraw/zinc/66/52/59/1038665259.db2.gz BYZZKJXHBNZAEG-YJBOKZPZSA-N 1 2 348.487 3.668 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccc(O)c1 ZINC000378558055 1038719460 /nfs/dbraw/zinc/71/94/60/1038719460.db2.gz KVPOTKQSEBNDBM-UHFFFAOYSA-N 1 2 331.375 3.560 20 0 EHADLO Cc1noc(C2(C)CC[NH+](Cc3cc(-c4cccs4)on3)CC2)n1 ZINC000378579732 1038731637 /nfs/dbraw/zinc/73/16/37/1038731637.db2.gz JRNWKVKFUDIQMX-UHFFFAOYSA-N 1 2 344.440 3.648 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000582051674 1038740547 /nfs/dbraw/zinc/74/05/47/1038740547.db2.gz SNAIUJJNUROQBW-CVEARBPZSA-N 1 2 341.459 3.663 20 0 EHADLO Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000613714919 1038765151 /nfs/dbraw/zinc/76/51/51/1038765151.db2.gz NIZLNHAJAFXIDY-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000553987420 1038782962 /nfs/dbraw/zinc/78/29/62/1038782962.db2.gz OJQHQURZNIRHLD-QGZVFWFLSA-N 1 2 348.393 3.995 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000553987420 1038782975 /nfs/dbraw/zinc/78/29/75/1038782975.db2.gz OJQHQURZNIRHLD-QGZVFWFLSA-N 1 2 348.393 3.995 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000462150185 1038788968 /nfs/dbraw/zinc/78/89/68/1038788968.db2.gz KXFAUIHVUXLWEY-LLVKDONJSA-N 1 2 344.212 3.839 20 0 EHADLO CCCn1nccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000667564621 1038795448 /nfs/dbraw/zinc/79/54/48/1038795448.db2.gz RZQWJKPLCRDKGV-LJQANCHMSA-N 1 2 331.435 3.613 20 0 EHADLO CCCn1nccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000667564621 1038795461 /nfs/dbraw/zinc/79/54/61/1038795461.db2.gz RZQWJKPLCRDKGV-LJQANCHMSA-N 1 2 331.435 3.613 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(C)s2)c(Br)c1 ZINC000384966237 1038814662 /nfs/dbraw/zinc/81/46/62/1038814662.db2.gz JVKJGGLIPFDENN-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582066077 1038855981 /nfs/dbraw/zinc/85/59/81/1038855981.db2.gz OLBLWEPLJZUEHI-NVXWUHKLSA-N 1 2 341.455 3.704 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000488100576 1038857250 /nfs/dbraw/zinc/85/72/50/1038857250.db2.gz GCQNYKJEUNXFHD-DJIMGWMZSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000488100576 1038857280 /nfs/dbraw/zinc/85/72/80/1038857280.db2.gz GCQNYKJEUNXFHD-DJIMGWMZSA-N 1 2 344.282 3.804 20 0 EHADLO Clc1scc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1Cl ZINC000432720695 1038909931 /nfs/dbraw/zinc/90/99/31/1038909931.db2.gz RVWFEKHVJBLDLF-LBPRGKRZSA-N 1 2 336.284 3.825 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC3(CC2)OCc2ccccc23)cs1 ZINC000363915225 1038914530 /nfs/dbraw/zinc/91/45/30/1038914530.db2.gz XUTNZUMLRUQLAS-AWEZNQCLSA-N 1 2 344.480 3.872 20 0 EHADLO O=C(C[NH2+]Cc1csc(Cl)c1Cl)Nc1cccc(F)c1 ZINC000485327417 1038928813 /nfs/dbraw/zinc/92/88/13/1038928813.db2.gz XXKZGYKGHZZGLG-UHFFFAOYSA-N 1 2 333.215 3.922 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2nc3ccc(F)cc3s2)cc1 ZINC000432737019 1038961376 /nfs/dbraw/zinc/96/13/76/1038961376.db2.gz IGHQRWZRVWDIJY-UHFFFAOYSA-N 1 2 344.411 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2nc3ccc(F)cc3s2)cc1 ZINC000432737019 1038961400 /nfs/dbraw/zinc/96/14/00/1038961400.db2.gz IGHQRWZRVWDIJY-UHFFFAOYSA-N 1 2 344.411 3.854 20 0 EHADLO Fc1ccc(OC(F)F)c(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077752 1038962752 /nfs/dbraw/zinc/96/27/52/1038962752.db2.gz PNUVOGFOEBXXOR-LLVKDONJSA-N 1 2 325.334 3.530 20 0 EHADLO O=C(C1CC[NH+](Cc2csc(Cl)c2Cl)CC1)N1CCCC1 ZINC000432737860 1038964977 /nfs/dbraw/zinc/96/49/77/1038964977.db2.gz NEIOQWKPSDOGSA-UHFFFAOYSA-N 1 2 347.311 3.889 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C)c1cccc2ccccc21 ZINC000488216889 1038967891 /nfs/dbraw/zinc/96/78/91/1038967891.db2.gz JJVJLGWGPWRNPE-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C)c1cccc2ccccc21 ZINC000488216889 1038967898 /nfs/dbraw/zinc/96/78/98/1038967898.db2.gz JJVJLGWGPWRNPE-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000477864807 1038973575 /nfs/dbraw/zinc/97/35/75/1038973575.db2.gz QLPIZKGLGNJRMM-HNNXBMFYSA-N 1 2 346.434 3.683 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccccc1Cl ZINC000485375351 1038981911 /nfs/dbraw/zinc/98/19/11/1038981911.db2.gz HJXOBLGSPXJBBO-BBRMVZONSA-N 1 2 340.920 3.591 20 0 EHADLO Oc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)cc1 ZINC000432739961 1038984069 /nfs/dbraw/zinc/98/40/69/1038984069.db2.gz UDHVUOFXWFCAAK-UHFFFAOYSA-N 1 2 342.386 3.795 20 0 EHADLO COc1ccc(Nc2nnc(SCc3cc[nH+]c(N)c3)s2)cc1 ZINC000195500128 1038996659 /nfs/dbraw/zinc/99/66/59/1038996659.db2.gz ZTYVOYZFEUAUGJ-UHFFFAOYSA-N 1 2 345.453 3.560 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931689 1038998009 /nfs/dbraw/zinc/99/80/09/1038998009.db2.gz DJLBRAUMBRJYLJ-PJIJBLCYSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931689 1038998014 /nfs/dbraw/zinc/99/80/14/1038998014.db2.gz DJLBRAUMBRJYLJ-PJIJBLCYSA-N 1 2 346.858 3.657 20 0 EHADLO Oc1ccc(F)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1F ZINC000552120010 1039001372 /nfs/dbraw/zinc/00/13/72/1039001372.db2.gz MCVVERLPFZQKFG-UHFFFAOYSA-N 1 2 333.256 3.701 20 0 EHADLO FC1(F)CC[C@@H](CNc2cc(NC[C@H]3CCC(F)(F)C3)nc[nH+]2)C1 ZINC000485405786 1039024559 /nfs/dbraw/zinc/02/45/59/1039024559.db2.gz DPYSOVXHZBZPST-TXEJJXNPSA-N 1 2 346.372 3.593 20 0 EHADLO FC1(F)CC[C@@H](CNc2cc(NC[C@H]3CCC(F)(F)C3)[nH+]cn2)C1 ZINC000485405786 1039024579 /nfs/dbraw/zinc/02/45/79/1039024579.db2.gz DPYSOVXHZBZPST-TXEJJXNPSA-N 1 2 346.372 3.593 20 0 EHADLO O=C(N[C@@H](C1CCC1)C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645785670 1039032856 /nfs/dbraw/zinc/03/28/56/1039032856.db2.gz OHELGORBOFKTDA-QZTJIDSGSA-N 1 2 330.476 3.589 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccc(F)cc3s2)cc1O ZINC000432747620 1039037098 /nfs/dbraw/zinc/03/70/98/1039037098.db2.gz PBERMZVJYFBNTN-UHFFFAOYSA-N 1 2 332.400 3.782 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccc(F)cc3s2)cc1O ZINC000432747620 1039037118 /nfs/dbraw/zinc/03/71/18/1039037118.db2.gz PBERMZVJYFBNTN-UHFFFAOYSA-N 1 2 332.400 3.782 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000500605287 1039053803 /nfs/dbraw/zinc/05/38/03/1039053803.db2.gz GVVPAGQVWMRPNO-BRWVUGGUSA-N 1 2 344.503 3.517 20 0 EHADLO CCCCN(CC)c1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000488300314 1039065134 /nfs/dbraw/zinc/06/51/34/1039065134.db2.gz UAALLMCMZNXYLS-UHFFFAOYSA-N 1 2 342.487 3.672 20 0 EHADLO CSc1ccsc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910784108 1039078154 /nfs/dbraw/zinc/07/81/54/1039078154.db2.gz MNUGLJXHEWDINU-UHFFFAOYSA-N 1 2 344.505 3.571 20 0 EHADLO CSc1ccsc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910784108 1039078169 /nfs/dbraw/zinc/07/81/69/1039078169.db2.gz MNUGLJXHEWDINU-UHFFFAOYSA-N 1 2 344.505 3.571 20 0 EHADLO O=C([O-])CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000905770669 1039097188 /nfs/dbraw/zinc/09/71/88/1039097188.db2.gz OTIITAOLCUNJBA-UHFFFAOYSA-N 1 2 333.457 3.591 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000512431118 1039103223 /nfs/dbraw/zinc/10/32/23/1039103223.db2.gz XXLXNNGMDZOLNN-IRXDYDNUSA-N 1 2 344.503 3.518 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000488346059 1039107143 /nfs/dbraw/zinc/10/71/43/1039107143.db2.gz QBZLQIGAOJWDPL-AWEZNQCLSA-N 1 2 341.846 3.899 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000488346059 1039107151 /nfs/dbraw/zinc/10/71/51/1039107151.db2.gz QBZLQIGAOJWDPL-AWEZNQCLSA-N 1 2 341.846 3.899 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000552269865 1039128359 /nfs/dbraw/zinc/12/83/59/1039128359.db2.gz VKURBJOMLGFSDZ-NRSFXHEJSA-N 1 2 333.472 3.658 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC2(CCCC2)C1 ZINC000905853581 1039160538 /nfs/dbraw/zinc/16/05/38/1039160538.db2.gz KMBAZHQHLXAEMB-HNNXBMFYSA-N 1 2 325.412 3.550 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)c2cccc(C)c2)o1 ZINC000905915734 1039180328 /nfs/dbraw/zinc/18/03/28/1039180328.db2.gz WBUWWOPYIIULER-PMACEKPBSA-N 1 2 349.434 3.519 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H](O)c2cccc(C)c2)o1 ZINC000905915734 1039180335 /nfs/dbraw/zinc/18/03/35/1039180335.db2.gz WBUWWOPYIIULER-PMACEKPBSA-N 1 2 349.434 3.519 20 0 EHADLO O=C(C[NH2+]Cc1csc(-c2cccs2)n1)Nc1cccc(F)c1 ZINC000488453130 1039202733 /nfs/dbraw/zinc/20/27/33/1039202733.db2.gz VRFMGNGKVSNVFG-UHFFFAOYSA-N 1 2 347.440 3.739 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000906037627 1039251916 /nfs/dbraw/zinc/25/19/16/1039251916.db2.gz RWFQJKSLKWPNHK-OAHLLOKOSA-N 1 2 325.412 3.550 20 0 EHADLO O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167903925 1039260282 /nfs/dbraw/zinc/26/02/82/1039260282.db2.gz YSTQEEFFOPVFPB-WOZUAGRISA-N 1 2 335.447 3.729 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3cc(OC)c(Cl)cc3C2)c1OC ZINC000552414733 1039268565 /nfs/dbraw/zinc/26/85/65/1039268565.db2.gz AFDQWFKPMOIKIE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cccc(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)c1OC ZINC000552414733 1039268569 /nfs/dbraw/zinc/26/85/69/1039268569.db2.gz AFDQWFKPMOIKIE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO O=C(c1ccc(C2CCCC2)cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488580802 1039283611 /nfs/dbraw/zinc/28/36/11/1039283611.db2.gz SFJJJXVXYNTSPD-HXUWFJFHSA-N 1 2 335.451 3.526 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595959 1039318929 /nfs/dbraw/zinc/31/89/29/1039318929.db2.gz RDNIBHTWKDWPHD-UGSOOPFHSA-N 1 2 332.875 3.876 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595959 1039318945 /nfs/dbraw/zinc/31/89/45/1039318945.db2.gz RDNIBHTWKDWPHD-UGSOOPFHSA-N 1 2 332.875 3.876 20 0 EHADLO COc1cc(C)c([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC000906168170 1039348228 /nfs/dbraw/zinc/34/82/28/1039348228.db2.gz LWYGMHWSRPMLKR-CQSZACIVSA-N 1 2 342.439 3.823 20 0 EHADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000432814780 1039352361 /nfs/dbraw/zinc/35/23/61/1039352361.db2.gz YAXVSDWTCWCQFA-DZGCQCFKSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000432814780 1039352373 /nfs/dbraw/zinc/35/23/73/1039352373.db2.gz YAXVSDWTCWCQFA-DZGCQCFKSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000512474996 1039353555 /nfs/dbraw/zinc/35/35/55/1039353555.db2.gz OZOVSDDXEFVYSH-INIZCTEOSA-N 1 2 345.270 3.559 20 0 EHADLO C[C@@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1Cl ZINC000512474996 1039353573 /nfs/dbraw/zinc/35/35/73/1039353573.db2.gz OZOVSDDXEFVYSH-INIZCTEOSA-N 1 2 345.270 3.559 20 0 EHADLO CCC[N@H+](Cc1c(Br)cccc1C(=O)OC)C1CC1 ZINC000432818178 1039387558 /nfs/dbraw/zinc/38/75/58/1039387558.db2.gz JBBHSRROSBCRLM-UHFFFAOYSA-N 1 2 326.234 3.610 20 0 EHADLO CCC[N@@H+](Cc1c(Br)cccc1C(=O)OC)C1CC1 ZINC000432818178 1039387569 /nfs/dbraw/zinc/38/75/69/1039387569.db2.gz JBBHSRROSBCRLM-UHFFFAOYSA-N 1 2 326.234 3.610 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000485687133 1039404467 /nfs/dbraw/zinc/40/44/67/1039404467.db2.gz BNGFPDOPZWVACK-KBEZCGTCSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000485687133 1039404487 /nfs/dbraw/zinc/40/44/87/1039404487.db2.gz BNGFPDOPZWVACK-KBEZCGTCSA-N 1 2 336.426 3.653 20 0 EHADLO Fc1cc(Cl)cc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000485689650 1039407247 /nfs/dbraw/zinc/40/72/47/1039407247.db2.gz FAFMKUKINLTMFR-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000668883207 1039450546 /nfs/dbraw/zinc/45/05/46/1039450546.db2.gz WPGPKZGWZCMNAH-AZUAARDMSA-N 1 2 337.467 3.898 20 0 EHADLO c1c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)nnn1C1CC1 ZINC000906287275 1039451748 /nfs/dbraw/zinc/45/17/48/1039451748.db2.gz KVJLODIHVFQFEP-HXUWFJFHSA-N 1 2 334.423 3.523 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718190 1039457735 /nfs/dbraw/zinc/45/77/35/1039457735.db2.gz CXYUFBIHULBVNZ-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718190 1039457741 /nfs/dbraw/zinc/45/77/41/1039457741.db2.gz CXYUFBIHULBVNZ-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO CC[C@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccncc1 ZINC000927144883 1039477193 /nfs/dbraw/zinc/47/71/93/1039477193.db2.gz GUCYZWAKLWKJMI-AWEZNQCLSA-N 1 2 347.260 3.754 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000485795999 1039548163 /nfs/dbraw/zinc/54/81/63/1039548163.db2.gz ZSQAVCICWRWDFQ-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1C ZINC000500843069 1039568662 /nfs/dbraw/zinc/56/86/62/1039568662.db2.gz ZCXGJOFVCKYOFK-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1C ZINC000500843069 1039568674 /nfs/dbraw/zinc/56/86/74/1039568674.db2.gz ZCXGJOFVCKYOFK-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187252184 1039589132 /nfs/dbraw/zinc/58/91/32/1039589132.db2.gz UZFANYDEDDADTG-GFCCVEGCSA-N 1 2 337.851 3.557 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187252184 1039589144 /nfs/dbraw/zinc/58/91/44/1039589144.db2.gz UZFANYDEDDADTG-GFCCVEGCSA-N 1 2 337.851 3.557 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(N2CCCC2)nc1 ZINC000279937743 1039609228 /nfs/dbraw/zinc/60/92/28/1039609228.db2.gz HJOYUHDHGOMWEN-UHFFFAOYSA-N 1 2 347.422 3.633 20 0 EHADLO Fc1cccc(C2(c3noc([C@H]4CC[N@@H+]4C4CCCC4)n3)CC2)c1 ZINC000924126290 1039614939 /nfs/dbraw/zinc/61/49/39/1039614939.db2.gz LDTMUKRRNMXKGP-MRXNPFEDSA-N 1 2 327.403 3.978 20 0 EHADLO Fc1cccc(C2(c3noc([C@H]4CC[N@H+]4C4CCCC4)n3)CC2)c1 ZINC000924126290 1039614953 /nfs/dbraw/zinc/61/49/53/1039614953.db2.gz LDTMUKRRNMXKGP-MRXNPFEDSA-N 1 2 327.403 3.978 20 0 EHADLO CC(C)n1ncc2cc(CSCc3cc[nH+]c(N(C)C)c3)cnc21 ZINC000842180372 1039631483 /nfs/dbraw/zinc/63/14/83/1039631483.db2.gz NGNAMZHBMMUIRY-UHFFFAOYSA-N 1 2 341.484 3.907 20 0 EHADLO COc1ccc2cccc(Cc3noc([C@@H]4C[C@H]4c4c[nH]c[nH+]4)n3)c2c1 ZINC000923895819 1039631396 /nfs/dbraw/zinc/63/13/96/1039631396.db2.gz DPLPNRAQELJMDK-IAGOWNOFSA-N 1 2 346.390 3.816 20 0 EHADLO CCSc1ccccc1CC(=O)NCCCCNc1cccc[nH+]1 ZINC000906577484 1039655682 /nfs/dbraw/zinc/65/56/82/1039655682.db2.gz OHQVXKTWOUAEKU-UHFFFAOYSA-N 1 2 343.496 3.745 20 0 EHADLO C[C@@H](CC(=O)N1CCCSC[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000893737880 1039659951 /nfs/dbraw/zinc/65/99/51/1039659951.db2.gz LAOAKNLRICUNBY-RDJZCZTQSA-N 1 2 329.469 3.541 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCSC[C@H]1c1ccccc1 ZINC000893743300 1039671372 /nfs/dbraw/zinc/67/13/72/1039671372.db2.gz WJWFWOPECZWUNM-KRWDZBQOSA-N 1 2 337.448 3.655 20 0 EHADLO CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898901851 1039679819 /nfs/dbraw/zinc/67/98/19/1039679819.db2.gz HLKBHCOPKMYDEB-MOPGFXCFSA-N 1 2 333.435 3.691 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000480558832 1039695996 /nfs/dbraw/zinc/69/59/96/1039695996.db2.gz YHOQXZDXMFNTNU-CABCVRRESA-N 1 2 340.870 3.727 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC[C@@H]3CC[C@H]4C[C@H]43)CC2)cs1 ZINC000893796166 1039710500 /nfs/dbraw/zinc/71/05/00/1039710500.db2.gz IOWGWWCFMOLZJC-ZVZYQTTQSA-N 1 2 348.512 3.643 20 0 EHADLO Cn1cc([C@H]([NH2+][C@H]2COCc3ccccc32)c2cccc(F)c2)cn1 ZINC000417355568 1039714549 /nfs/dbraw/zinc/71/45/49/1039714549.db2.gz DJSRCJYZIZWZJX-VQTJNVASSA-N 1 2 337.398 3.510 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511623237 1039749387 /nfs/dbraw/zinc/74/93/87/1039749387.db2.gz NDJFIUGZRREIJV-FSZRXZPDSA-N 1 2 334.891 3.980 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511623237 1039749407 /nfs/dbraw/zinc/74/94/07/1039749407.db2.gz NDJFIUGZRREIJV-FSZRXZPDSA-N 1 2 334.891 3.980 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3(C4CCCCC4)CC3)[nH+]c12 ZINC000906882447 1039790079 /nfs/dbraw/zinc/79/00/79/1039790079.db2.gz HVZWTKMXBWHDTL-UHFFFAOYSA-N 1 2 325.456 3.662 20 0 EHADLO Cc1cc(NC(=O)CCOc2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000486023700 1039795198 /nfs/dbraw/zinc/79/51/98/1039795198.db2.gz CYCARCMLJYFERA-UHFFFAOYSA-N 1 2 325.195 3.526 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1cccc(F)c1 ZINC000554846377 1039802888 /nfs/dbraw/zinc/80/28/88/1039802888.db2.gz USHUUVJKMAOQIS-CQSZACIVSA-N 1 2 344.352 3.819 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1cccc(F)c1 ZINC000554846377 1039802901 /nfs/dbraw/zinc/80/29/01/1039802901.db2.gz USHUUVJKMAOQIS-CQSZACIVSA-N 1 2 344.352 3.819 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2nc3c(s2)CCCC3)c(C)[nH+]1 ZINC000906889737 1039813894 /nfs/dbraw/zinc/81/38/94/1039813894.db2.gz UOFDZHCUKISEON-UHFFFAOYSA-N 1 2 329.469 3.614 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000667416886 1039814651 /nfs/dbraw/zinc/81/46/51/1039814651.db2.gz LKEJAZBOQJUUSR-CYBMUJFWSA-N 1 2 347.415 3.628 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000554849117 1039831515 /nfs/dbraw/zinc/83/15/15/1039831515.db2.gz UWJAWUAYDNPZLV-PBHICJAKSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000554849117 1039831541 /nfs/dbraw/zinc/83/15/41/1039831541.db2.gz UWJAWUAYDNPZLV-PBHICJAKSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2c2cc(N3CCCC3)[nH+]cn2)c1 ZINC000553159140 1039839168 /nfs/dbraw/zinc/83/91/68/1039839168.db2.gz HACDQZAEEBPYKJ-MAUKXSAKSA-N 1 2 338.455 3.673 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2c2cc(N3CCCC3)nc[nH+]2)c1 ZINC000553159140 1039839196 /nfs/dbraw/zinc/83/91/96/1039839196.db2.gz HACDQZAEEBPYKJ-MAUKXSAKSA-N 1 2 338.455 3.673 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1nc(Cc2ccccc2)no1 ZINC000893977154 1039915468 /nfs/dbraw/zinc/91/54/68/1039915468.db2.gz WHYRUGLLBIMDQU-LSDHHAIUSA-N 1 2 349.434 3.835 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000554926654 1039961254 /nfs/dbraw/zinc/96/12/54/1039961254.db2.gz RMRGOOSBIGGDEG-UHFFFAOYSA-N 1 2 348.834 3.717 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000554965376 1039989412 /nfs/dbraw/zinc/98/94/12/1039989412.db2.gz JXSIYNYHFQATIY-HKUYNNGSSA-N 1 2 325.456 3.559 20 0 EHADLO CC(C)C[C@H](c1nc(Cc2c(F)cccc2F)no1)n1cc[nH+]c1 ZINC000923806780 1040005589 /nfs/dbraw/zinc/00/55/89/1040005589.db2.gz XSWOKEUNHQYZDY-OAHLLOKOSA-N 1 2 332.354 3.771 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(OC)cc1Cl ZINC000489472643 1040012775 /nfs/dbraw/zinc/01/27/75/1040012775.db2.gz IPVRLOWTMACNPY-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(OC)cc1Cl ZINC000489472643 1040012796 /nfs/dbraw/zinc/01/27/96/1040012796.db2.gz IPVRLOWTMACNPY-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO CC(C)(CNC(=O)CCSc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000912614017 1040038343 /nfs/dbraw/zinc/03/83/43/1040038343.db2.gz HGOUHVGBWBIPRS-UHFFFAOYSA-N 1 2 337.876 3.570 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000894086184 1040046200 /nfs/dbraw/zinc/04/62/00/1040046200.db2.gz YOJQCMOIZUIGKQ-GOSISDBHSA-N 1 2 339.439 3.862 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000894086184 1040046222 /nfs/dbraw/zinc/04/62/22/1040046222.db2.gz YOJQCMOIZUIGKQ-GOSISDBHSA-N 1 2 339.439 3.862 20 0 EHADLO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)CC2 ZINC000553405563 1040048484 /nfs/dbraw/zinc/04/84/84/1040048484.db2.gz SNZCOPJISOYKGQ-AWEZNQCLSA-N 1 2 349.438 3.536 20 0 EHADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555070535 1040126771 /nfs/dbraw/zinc/12/67/71/1040126771.db2.gz GLPDMZXHCPEUJE-DLBZAZTESA-N 1 2 346.377 3.680 20 0 EHADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555070535 1040126783 /nfs/dbraw/zinc/12/67/83/1040126783.db2.gz GLPDMZXHCPEUJE-DLBZAZTESA-N 1 2 346.377 3.680 20 0 EHADLO COc1cccc(SC)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000417674951 1040153127 /nfs/dbraw/zinc/15/31/27/1040153127.db2.gz BEJKKIJQHRTOFY-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432918547 1040176805 /nfs/dbraw/zinc/17/68/05/1040176805.db2.gz PQUYKYMUJBDBTN-UHFFFAOYSA-N 1 2 333.297 3.656 20 0 EHADLO CC1(C)CC(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907816554 1040183872 /nfs/dbraw/zinc/18/38/72/1040183872.db2.gz VBUNSSVVVBQECP-OAHLLOKOSA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907816554 1040183880 /nfs/dbraw/zinc/18/38/80/1040183880.db2.gz VBUNSSVVVBQECP-OAHLLOKOSA-N 1 2 329.488 3.867 20 0 EHADLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432922546 1040184998 /nfs/dbraw/zinc/18/49/98/1040184998.db2.gz AGHPWGMPPPGPPC-JTQLQIEISA-N 1 2 347.261 3.869 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1nc3ccc(F)cc3s1)n2C ZINC000432923670 1040190364 /nfs/dbraw/zinc/19/03/64/1040190364.db2.gz HMXWQQYZASXVOS-UHFFFAOYSA-N 1 2 340.427 3.920 20 0 EHADLO Cn1nccc1N1CCC[C@H](Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553567683 1040196182 /nfs/dbraw/zinc/19/61/82/1040196182.db2.gz GYDPTVGAAVBPJO-ZDUSSCGKSA-N 1 2 341.846 3.703 20 0 EHADLO CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000156718471 1040205375 /nfs/dbraw/zinc/20/53/75/1040205375.db2.gz OXHRCWBEMFGUOT-UHFFFAOYSA-N 1 2 348.328 3.651 20 0 EHADLO CC[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@@H](O)C(F)(F)F ZINC000432930722 1040206018 /nfs/dbraw/zinc/20/60/18/1040206018.db2.gz ZJOZGIIHZULGBN-SECBINFHSA-N 1 2 334.140 3.878 20 0 EHADLO CC[N@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@@H](O)C(F)(F)F ZINC000432930722 1040206032 /nfs/dbraw/zinc/20/60/32/1040206032.db2.gz ZJOZGIIHZULGBN-SECBINFHSA-N 1 2 334.140 3.878 20 0 EHADLO C[N@H+](Cc1ccc(Br)s1)Cc1ccnn1CC1CC1 ZINC000667482514 1040208383 /nfs/dbraw/zinc/20/83/83/1040208383.db2.gz GNHLBHJSUSZVGP-UHFFFAOYSA-N 1 2 340.290 3.749 20 0 EHADLO C[N@@H+](Cc1ccc(Br)s1)Cc1ccnn1CC1CC1 ZINC000667482514 1040208396 /nfs/dbraw/zinc/20/83/96/1040208396.db2.gz GNHLBHJSUSZVGP-UHFFFAOYSA-N 1 2 340.290 3.749 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001126855457 1040216348 /nfs/dbraw/zinc/21/63/48/1040216348.db2.gz MEUVPNQHBGIUBZ-GOSISDBHSA-N 1 2 348.556 3.965 20 0 EHADLO CN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000907912893 1040230407 /nfs/dbraw/zinc/23/04/07/1040230407.db2.gz PKRZORDMYNNXOC-GOSISDBHSA-N 1 2 340.471 3.646 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+](Cc2ccccc2)CC(C)C)n1 ZINC000432939954 1040232122 /nfs/dbraw/zinc/23/21/22/1040232122.db2.gz STXSMYIPICOFOT-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO CCOC(=O)c1csc(C[N@H+](Cc2ccccc2)CC(C)C)n1 ZINC000432939954 1040232141 /nfs/dbraw/zinc/23/21/41/1040232141.db2.gz STXSMYIPICOFOT-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667492928 1040263907 /nfs/dbraw/zinc/26/39/07/1040263907.db2.gz AMXCHCARZAUXOX-VIFPVBQESA-N 1 2 333.304 3.910 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667492928 1040263924 /nfs/dbraw/zinc/26/39/24/1040263924.db2.gz AMXCHCARZAUXOX-VIFPVBQESA-N 1 2 333.304 3.910 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066455 1040278286 /nfs/dbraw/zinc/27/82/86/1040278286.db2.gz PTLOBFPTIFHXPM-IHRRRGAJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066455 1040278300 /nfs/dbraw/zinc/27/83/00/1040278300.db2.gz PTLOBFPTIFHXPM-IHRRRGAJSA-N 1 2 337.464 3.554 20 0 EHADLO Cc1cc(N2CCO[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000555223386 1040297147 /nfs/dbraw/zinc/29/71/47/1040297147.db2.gz CPRVSLHLTOZZOX-NSHDSACASA-N 1 2 326.318 3.667 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1csc(C(C)C)n1)c1ccccc1 ZINC000152123269 1040322351 /nfs/dbraw/zinc/32/23/51/1040322351.db2.gz YUWJDDZRVGVLLJ-CJNGLKHVSA-N 1 2 332.469 3.907 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000350015619 1040335262 /nfs/dbraw/zinc/33/52/62/1040335262.db2.gz QSRNNBFYAJNYHY-UHFFFAOYSA-N 1 2 340.358 3.673 20 0 EHADLO C/C(=C\C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000178376981 1040348943 /nfs/dbraw/zinc/34/89/43/1040348943.db2.gz QLGDWZURPOJVJI-JLHYYAGUSA-N 1 2 325.799 3.707 20 0 EHADLO Cc1coc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001625898291 1040396437 /nfs/dbraw/zinc/39/64/37/1040396437.db2.gz USUNVFCDARCJGY-LJQANCHMSA-N 1 2 327.424 3.994 20 0 EHADLO Cc1coc(COC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001625898291 1040396446 /nfs/dbraw/zinc/39/64/46/1040396446.db2.gz USUNVFCDARCJGY-LJQANCHMSA-N 1 2 327.424 3.994 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000669041771 1040417551 /nfs/dbraw/zinc/41/75/51/1040417551.db2.gz PBKBUXSVFVNPPP-YJBOKZPZSA-N 1 2 341.455 3.745 20 0 EHADLO CC(C)COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000555321806 1040426679 /nfs/dbraw/zinc/42/66/79/1040426679.db2.gz CQUWONXMNWXIOQ-UHFFFAOYSA-N 1 2 326.440 3.792 20 0 EHADLO CC(C)COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000555321806 1040426682 /nfs/dbraw/zinc/42/66/82/1040426682.db2.gz CQUWONXMNWXIOQ-UHFFFAOYSA-N 1 2 326.440 3.792 20 0 EHADLO Cc1ccc2ncc(C[NH+]3CCN(C(=O)c4ccccc4)CC3)cc2c1 ZINC000411135243 1040484915 /nfs/dbraw/zinc/48/49/15/1040484915.db2.gz LCCTYBDMXZDMQF-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2)cc1F ZINC000553889085 1040555097 /nfs/dbraw/zinc/55/50/97/1040555097.db2.gz GXACKJZTJAGAJR-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccnc3)n2)cc1F ZINC000553889085 1040555113 /nfs/dbraw/zinc/55/51/13/1040555113.db2.gz GXACKJZTJAGAJR-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@]1=O ZINC000433056304 1040576893 /nfs/dbraw/zinc/57/68/93/1040576893.db2.gz HMXCDVTUTZLZIO-MZNJEOGPSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@]1=O ZINC000433056304 1040576904 /nfs/dbraw/zinc/57/69/04/1040576904.db2.gz HMXCDVTUTZLZIO-MZNJEOGPSA-N 1 2 349.540 3.989 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000490551977 1040593618 /nfs/dbraw/zinc/59/36/18/1040593618.db2.gz SOZZBZCIVSFAHO-UHFFFAOYSA-N 1 2 349.837 3.694 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccc(F)cc2F)C1 ZINC000553928811 1040600741 /nfs/dbraw/zinc/60/07/41/1040600741.db2.gz FERVZHUWPDPLII-XJKSGUPXSA-N 1 2 335.419 3.966 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccc(F)cc2F)C1 ZINC000553928811 1040600750 /nfs/dbraw/zinc/60/07/50/1040600750.db2.gz FERVZHUWPDPLII-XJKSGUPXSA-N 1 2 335.419 3.966 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)NC(CC(C)C)CC(C)C)c(C)[nH+]1 ZINC000411232481 1040608946 /nfs/dbraw/zinc/60/89/46/1040608946.db2.gz VUTYGBIOZAWWKF-UHFFFAOYSA-N 1 2 333.476 3.522 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000481292224 1040642314 /nfs/dbraw/zinc/64/23/14/1040642314.db2.gz YSVJVFAWYYMNDZ-FQEVSTJZSA-N 1 2 338.451 3.796 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000481292224 1040642321 /nfs/dbraw/zinc/64/23/21/1040642321.db2.gz YSVJVFAWYYMNDZ-FQEVSTJZSA-N 1 2 338.451 3.796 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)c(C)[nH+]1 ZINC000411278951 1040660351 /nfs/dbraw/zinc/66/03/51/1040660351.db2.gz QSXCBXNJJSSIPR-CABCVRRESA-N 1 2 345.487 3.666 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000894112969 1040660906 /nfs/dbraw/zinc/66/09/06/1040660906.db2.gz LTVPFLROXWONTE-UHFFFAOYSA-N 1 2 349.837 3.860 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047185662 1040662806 /nfs/dbraw/zinc/66/28/06/1040662806.db2.gz HXJDSUKBVYBCLL-CQSZACIVSA-N 1 2 339.826 3.887 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000894114003 1040675500 /nfs/dbraw/zinc/67/55/00/1040675500.db2.gz VCCZNLARCQGTQX-UHFFFAOYSA-N 1 2 344.890 3.956 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)n1 ZINC000481353829 1040732363 /nfs/dbraw/zinc/73/23/63/1040732363.db2.gz WJKWSNPFAVCIMB-PXAZEXFGSA-N 1 2 337.851 3.931 20 0 EHADLO Cc1sc(C[NH2+]Cc2cnnn2Cc2ccccc2)nc1C(C)C ZINC000490890366 1040805829 /nfs/dbraw/zinc/80/58/29/1040805829.db2.gz XSNMEHADOPDCIE-UHFFFAOYSA-N 1 2 341.484 3.505 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000509783581 1040812901 /nfs/dbraw/zinc/81/29/01/1040812901.db2.gz QWPWQFOFUVZWNK-MRXNPFEDSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000509783581 1040812917 /nfs/dbraw/zinc/81/29/17/1040812917.db2.gz QWPWQFOFUVZWNK-MRXNPFEDSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000913459297 1040838443 /nfs/dbraw/zinc/83/84/43/1040838443.db2.gz MDMFZCRRMYFGBY-HNNXBMFYSA-N 1 2 327.453 3.674 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000913459297 1040838451 /nfs/dbraw/zinc/83/84/51/1040838451.db2.gz MDMFZCRRMYFGBY-HNNXBMFYSA-N 1 2 327.453 3.674 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509794637 1040841407 /nfs/dbraw/zinc/84/14/07/1040841407.db2.gz LOZBZXMDHCJHNH-RCCFBDPRSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CCn1cc[nH+]c1 ZINC000667878812 1040843861 /nfs/dbraw/zinc/84/38/61/1040843861.db2.gz VNVTWLRUDLYJQI-UHFFFAOYSA-N 1 2 338.238 3.868 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccncc3s2)C[C@H](CC(F)(F)F)O1 ZINC000668768750 1040857011 /nfs/dbraw/zinc/85/70/11/1040857011.db2.gz QWPGYGDGOVTJGB-PWSUYJOCSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccncc3s2)C[C@H](CC(F)(F)F)O1 ZINC000668768750 1040857028 /nfs/dbraw/zinc/85/70/28/1040857028.db2.gz QWPGYGDGOVTJGB-PWSUYJOCSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(Cl)c1Cl ZINC000411467762 1040884900 /nfs/dbraw/zinc/88/49/00/1040884900.db2.gz BXFBTVXNVHLLCY-VIFPVBQESA-N 1 2 348.251 3.841 20 0 EHADLO Nc1ccc(CCC(=O)OCc2csc(-c3cccs3)n2)c[nH+]1 ZINC000759816770 1040895589 /nfs/dbraw/zinc/89/55/89/1040895589.db2.gz ZVNSBAAZGFJMHS-UHFFFAOYSA-N 1 2 345.449 3.525 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411495019 1040927484 /nfs/dbraw/zinc/92/74/84/1040927484.db2.gz KGBRWLRPDMZKTE-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411495019 1040927499 /nfs/dbraw/zinc/92/74/99/1040927499.db2.gz KGBRWLRPDMZKTE-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO Cc1[nH+]c2cc(OCc3csc(N(C)C4CC4)n3)ccc2n1C ZINC000664047071 1040983925 /nfs/dbraw/zinc/98/39/25/1040983925.db2.gz WKQVQAVHKLRIQX-UHFFFAOYSA-N 1 2 328.441 3.516 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3C3CCCCC3)[nH+]c12 ZINC000586752865 1040998462 /nfs/dbraw/zinc/99/84/62/1040998462.db2.gz IOGYNBBCORLGHW-GOSISDBHSA-N 1 2 325.456 3.757 20 0 EHADLO CCOc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000586752403 1040998850 /nfs/dbraw/zinc/99/88/50/1040998850.db2.gz DIAIBUWCPATWIA-UHFFFAOYSA-N 1 2 343.814 3.876 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(C)C)cc3C)[nH+]c12 ZINC000586752944 1040998980 /nfs/dbraw/zinc/99/89/80/1040998980.db2.gz AJFBJTVBYXRGPC-UHFFFAOYSA-N 1 2 337.423 3.920 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514558 1041013426 /nfs/dbraw/zinc/01/34/26/1041013426.db2.gz ZSMSQUFYNWUOOV-CJNGLKHVSA-N 1 2 330.453 3.584 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514558 1041013448 /nfs/dbraw/zinc/01/34/48/1041013448.db2.gz ZSMSQUFYNWUOOV-CJNGLKHVSA-N 1 2 330.453 3.584 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H](C)C2)c(Br)c1 ZINC000481582620 1041115035 /nfs/dbraw/zinc/11/50/35/1041115035.db2.gz SYJHDLVEVSPXIP-ZDUSSCGKSA-N 1 2 339.277 3.818 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](C)C2)c(Br)c1 ZINC000481582620 1041115044 /nfs/dbraw/zinc/11/50/44/1041115044.db2.gz SYJHDLVEVSPXIP-ZDUSSCGKSA-N 1 2 339.277 3.818 20 0 EHADLO CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](CC)c1ccccc1 ZINC000570931299 1041137882 /nfs/dbraw/zinc/13/78/82/1041137882.db2.gz KOADIIFNMVMSLU-PKOBYXMFSA-N 1 2 325.456 3.835 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)o1 ZINC000481629747 1041173053 /nfs/dbraw/zinc/17/30/53/1041173053.db2.gz VPCMGMANPMGNHL-UHFFFAOYSA-N 1 2 346.446 3.681 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859428 1041201229 /nfs/dbraw/zinc/20/12/29/1041201229.db2.gz RXPXPTKLVJIOQY-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000759859428 1041201245 /nfs/dbraw/zinc/20/12/45/1041201245.db2.gz RXPXPTKLVJIOQY-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2C)c1 ZINC000487974937 1041229303 /nfs/dbraw/zinc/22/93/03/1041229303.db2.gz BACQODKCJDGMTK-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c1 ZINC000487974937 1041229321 /nfs/dbraw/zinc/22/93/21/1041229321.db2.gz BACQODKCJDGMTK-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO Clc1cccc([C@@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)c1 ZINC000433299517 1041238713 /nfs/dbraw/zinc/23/87/13/1041238713.db2.gz RDFXAYIJJSUGOW-OAHLLOKOSA-N 1 2 330.863 3.647 20 0 EHADLO Clc1cccc([C@@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)c1 ZINC000433299517 1041238726 /nfs/dbraw/zinc/23/87/26/1041238726.db2.gz RDFXAYIJJSUGOW-OAHLLOKOSA-N 1 2 330.863 3.647 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000367682578 1041259755 /nfs/dbraw/zinc/25/97/55/1041259755.db2.gz GZZPNQKCGJTCCH-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000367682578 1041259771 /nfs/dbraw/zinc/25/97/71/1041259771.db2.gz GZZPNQKCGJTCCH-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(C)C)c2)on1 ZINC000052008822 1041260949 /nfs/dbraw/zinc/26/09/49/1041260949.db2.gz WZBIGDBJCQGWPS-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(C)C)c2)on1 ZINC000052008822 1041260969 /nfs/dbraw/zinc/26/09/69/1041260969.db2.gz WZBIGDBJCQGWPS-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000433332579 1041295136 /nfs/dbraw/zinc/29/51/36/1041295136.db2.gz WVYLUORYROVNLB-UHFFFAOYSA-N 1 2 332.492 3.576 20 0 EHADLO Nc1ccc(F)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1F ZINC001204645954 1041312043 /nfs/dbraw/zinc/31/20/43/1041312043.db2.gz CMMSRSZGSZRLQX-UHFFFAOYSA-N 1 2 330.378 3.642 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC000513039451 1041411447 /nfs/dbraw/zinc/41/14/47/1041411447.db2.gz AOTYVZYPVYALHT-LJQANCHMSA-N 1 2 335.394 3.834 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC000513039451 1041411451 /nfs/dbraw/zinc/41/14/51/1041411451.db2.gz AOTYVZYPVYALHT-LJQANCHMSA-N 1 2 335.394 3.834 20 0 EHADLO c1c(C[N@@H+](CCc2ccccn2)Cc2cccnc2)onc1C1CC1 ZINC000660458824 1041458467 /nfs/dbraw/zinc/45/84/67/1041458467.db2.gz GYMXGWXCQQPLQS-UHFFFAOYSA-N 1 2 334.423 3.587 20 0 EHADLO c1c(C[N@H+](CCc2ccccn2)Cc2cccnc2)onc1C1CC1 ZINC000660458824 1041458474 /nfs/dbraw/zinc/45/84/74/1041458474.db2.gz GYMXGWXCQQPLQS-UHFFFAOYSA-N 1 2 334.423 3.587 20 0 EHADLO C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000299737765 1041605862 /nfs/dbraw/zinc/60/58/62/1041605862.db2.gz FGMPEZCQLIOXTQ-WJDWOHSUSA-N 1 2 349.409 3.790 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C(F)F)C1 ZINC000660626633 1041731550 /nfs/dbraw/zinc/73/15/50/1041731550.db2.gz YWYQMJNSVNELTH-GOEBONIOSA-N 1 2 338.442 3.867 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3ncc(C4CC4)o3)CC2)c1F ZINC000660667369 1041762278 /nfs/dbraw/zinc/76/22/78/1041762278.db2.gz YDNIEMPAEXMXSV-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3ncc(C4CC4)o3)CC2)c1F ZINC000660667369 1041762290 /nfs/dbraw/zinc/76/22/90/1041762290.db2.gz YDNIEMPAEXMXSV-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000660708185 1041786523 /nfs/dbraw/zinc/78/65/23/1041786523.db2.gz MZSXCIBWKMPLLM-SNVBAGLBSA-N 1 2 338.242 3.759 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000660708185 1041786529 /nfs/dbraw/zinc/78/65/29/1041786529.db2.gz MZSXCIBWKMPLLM-SNVBAGLBSA-N 1 2 338.242 3.759 20 0 EHADLO COCC[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(F)c(Cl)c1 ZINC000660754949 1041807028 /nfs/dbraw/zinc/80/70/28/1041807028.db2.gz VVVSBDVXQKHFHR-UHFFFAOYSA-N 1 2 338.810 3.993 20 0 EHADLO COCC[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(F)c(Cl)c1 ZINC000660754949 1041807035 /nfs/dbraw/zinc/80/70/35/1041807035.db2.gz VVVSBDVXQKHFHR-UHFFFAOYSA-N 1 2 338.810 3.993 20 0 EHADLO FC(F)(F)c1cc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)cs1 ZINC000924171888 1041858746 /nfs/dbraw/zinc/85/87/46/1041858746.db2.gz ASQKQOVEKDKAJT-HTQZYQBOSA-N 1 2 326.303 3.811 20 0 EHADLO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000651721876 1041965520 /nfs/dbraw/zinc/96/55/20/1041965520.db2.gz VRDVIXYFURBITN-INIZCTEOSA-N 1 2 337.471 3.841 20 0 EHADLO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000651730532 1041972507 /nfs/dbraw/zinc/97/25/07/1041972507.db2.gz PLYAPLLMPBXTSS-HOCLYGCPSA-N 1 2 331.460 3.762 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2cccc(C)c2)nc1C)c1ccc(C)o1 ZINC000651728879 1041975348 /nfs/dbraw/zinc/97/53/48/1041975348.db2.gz ODZYZENAGAFPJX-IBGZPJMESA-N 1 2 339.439 3.868 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)[nH]1 ZINC000661208376 1042007703 /nfs/dbraw/zinc/00/77/03/1042007703.db2.gz SKWUYNQIYBWAMP-LIRRHRJNSA-N 1 2 336.439 3.816 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898340 1042155630 /nfs/dbraw/zinc/15/56/30/1042155630.db2.gz BWAFYCMOHGAUMD-NQIIRXRSSA-N 1 2 336.483 3.557 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898340 1042155636 /nfs/dbraw/zinc/15/56/36/1042155636.db2.gz BWAFYCMOHGAUMD-NQIIRXRSSA-N 1 2 336.483 3.557 20 0 EHADLO CO[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC001126096367 1042168626 /nfs/dbraw/zinc/16/86/26/1042168626.db2.gz CIAQNCHIVJDQIM-HNNXBMFYSA-N 1 2 349.312 3.679 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)nc1 ZINC000661539735 1042176176 /nfs/dbraw/zinc/17/61/76/1042176176.db2.gz JQJFTUWQCOKDSE-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)nc1 ZINC000661539735 1042176177 /nfs/dbraw/zinc/17/61/77/1042176177.db2.gz JQJFTUWQCOKDSE-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3cnn(-c4ccccc4)c3)CC23CCOCC3)c1 ZINC000661561434 1042189285 /nfs/dbraw/zinc/18/92/85/1042189285.db2.gz LOARXQXFBQTKHY-HXUWFJFHSA-N 1 2 349.434 3.819 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3cnn(-c4ccccc4)c3)CC23CCOCC3)c1 ZINC000661561434 1042189290 /nfs/dbraw/zinc/18/92/90/1042189290.db2.gz LOARXQXFBQTKHY-HXUWFJFHSA-N 1 2 349.434 3.819 20 0 EHADLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1F ZINC000661563236 1042191597 /nfs/dbraw/zinc/19/15/97/1042191597.db2.gz WSKFBWGAQNEOJQ-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1F ZINC000661563236 1042191600 /nfs/dbraw/zinc/19/16/00/1042191600.db2.gz WSKFBWGAQNEOJQ-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890412 1042209524 /nfs/dbraw/zinc/20/95/24/1042209524.db2.gz XKNRECCHRJJFOT-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CCc1cc(N[C@H](Cc2nc(C)no2)c2ccccc2)nc(CC)[nH+]1 ZINC000893490408 1042264747 /nfs/dbraw/zinc/26/47/47/1042264747.db2.gz ADRZQAOLAGQIPH-MRXNPFEDSA-N 1 2 337.427 3.689 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000025692626 1042279549 /nfs/dbraw/zinc/27/95/49/1042279549.db2.gz LLNSLBAIZKAUJF-YWZLYKJASA-N 1 2 338.451 3.674 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nnc(-c3ccc(Cl)cc3)o1)CC2 ZINC000661950830 1042425375 /nfs/dbraw/zinc/42/53/75/1042425375.db2.gz GCIBPCVALPSJCD-UHFFFAOYSA-N 1 2 345.830 3.725 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661957841 1042431466 /nfs/dbraw/zinc/43/14/66/1042431466.db2.gz GEKVGUWXMIYEIH-UHFFFAOYSA-N 1 2 331.847 3.562 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)no1 ZINC000662022929 1042464422 /nfs/dbraw/zinc/46/44/22/1042464422.db2.gz XHPWMUJISKPEGB-GOSISDBHSA-N 1 2 348.450 3.756 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)no1 ZINC000662022929 1042464427 /nfs/dbraw/zinc/46/44/27/1042464427.db2.gz XHPWMUJISKPEGB-GOSISDBHSA-N 1 2 348.450 3.756 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662049651 1042481757 /nfs/dbraw/zinc/48/17/57/1042481757.db2.gz BBWWNKQBSSWGNL-AWEZNQCLSA-N 1 2 329.227 3.675 20 0 EHADLO O[C@H](C[N@@H+]1CC[C@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094341 1042515048 /nfs/dbraw/zinc/51/50/48/1042515048.db2.gz LVLWVXQVMLBKPK-RYUDHWBXSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@H](C[N@H+]1CC[C@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094341 1042515052 /nfs/dbraw/zinc/51/50/52/1042515052.db2.gz LVLWVXQVMLBKPK-RYUDHWBXSA-N 1 2 338.167 3.509 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1=NO[C@@H](c2ccccc2)C1 ZINC000162830210 1042589901 /nfs/dbraw/zinc/58/99/01/1042589901.db2.gz BOJBACHEXWQSAL-QGZVFWFLSA-N 1 2 332.363 3.533 20 0 EHADLO C[C@H]1C[N@H+](CCc2nsc3ccccc23)C[C@@H](CC(F)(F)F)O1 ZINC000662240781 1042627407 /nfs/dbraw/zinc/62/74/07/1042627407.db2.gz MMUMBXRDEDLCPH-NWDGAFQWSA-N 1 2 344.402 3.881 20 0 EHADLO C[C@H]1C[N@@H+](CCc2nsc3ccccc23)C[C@@H](CC(F)(F)F)O1 ZINC000662240781 1042627408 /nfs/dbraw/zinc/62/74/08/1042627408.db2.gz MMUMBXRDEDLCPH-NWDGAFQWSA-N 1 2 344.402 3.881 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCc2ccc(C(F)(F)F)cc2)s1 ZINC000662259767 1042642228 /nfs/dbraw/zinc/64/22/28/1042642228.db2.gz AYVWCLQROHRVRZ-UHFFFAOYSA-N 1 2 329.391 3.930 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCc2ccc(C(F)(F)F)cc2)s1 ZINC000662259767 1042642230 /nfs/dbraw/zinc/64/22/30/1042642230.db2.gz AYVWCLQROHRVRZ-UHFFFAOYSA-N 1 2 329.391 3.930 20 0 EHADLO CCC(CC)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159184821 1042659226 /nfs/dbraw/zinc/65/92/26/1042659226.db2.gz IQESHRAGXAWMNU-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000343896256 1042659436 /nfs/dbraw/zinc/65/94/36/1042659436.db2.gz VNWLKQZZEINTGQ-LJQANCHMSA-N 1 2 349.434 3.651 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CC4CC3(c3ccccc3)C4)n2)cc1 ZINC000662331278 1042686426 /nfs/dbraw/zinc/68/64/26/1042686426.db2.gz KUKBKMRBSWMYJP-UHFFFAOYSA-N 1 2 345.446 3.976 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CC4CC3(c3ccccc3)C4)n2)cc1 ZINC000662331278 1042686430 /nfs/dbraw/zinc/68/64/30/1042686430.db2.gz KUKBKMRBSWMYJP-UHFFFAOYSA-N 1 2 345.446 3.976 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCc2ccccc21 ZINC000043518002 1042845770 /nfs/dbraw/zinc/84/57/70/1042845770.db2.gz SXHIVRCCYNWRTI-UHFFFAOYSA-N 1 2 342.468 3.724 20 0 EHADLO CCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066964973 1042893334 /nfs/dbraw/zinc/89/33/34/1042893334.db2.gz ZRYVLPGXPRJZHL-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1F ZINC000165877373 1042905906 /nfs/dbraw/zinc/90/59/06/1042905906.db2.gz XYJSHUADKDPKQV-DVOMOZLQSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000043901216 1042919613 /nfs/dbraw/zinc/91/96/13/1042919613.db2.gz UQFXHHAUAAYSOH-UHFFFAOYSA-N 1 2 338.333 3.642 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(Nc3ccccc3)nn1)C2 ZINC000663570427 1043004818 /nfs/dbraw/zinc/00/48/18/1043004818.db2.gz UVFHARNIMKGQQE-UHFFFAOYSA-N 1 2 348.454 3.640 20 0 EHADLO Cc1nc(NC[C@@H]2OCCc3ccccc32)c(Br)c(C)[nH+]1 ZINC000663604085 1043035972 /nfs/dbraw/zinc/03/59/72/1043035972.db2.gz VSLHAVIHXZWWRE-AWEZNQCLSA-N 1 2 348.244 3.582 20 0 EHADLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1cscc1C(F)(F)F ZINC000354053190 1043046123 /nfs/dbraw/zinc/04/61/23/1043046123.db2.gz KRZYNQFXRCHYJE-ZDUSSCGKSA-N 1 2 334.407 3.504 20 0 EHADLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1cscc1C(F)(F)F ZINC000354053190 1043046129 /nfs/dbraw/zinc/04/61/29/1043046129.db2.gz KRZYNQFXRCHYJE-ZDUSSCGKSA-N 1 2 334.407 3.504 20 0 EHADLO Fc1cc(F)c(N2CC[NH+](Cc3cc4ccccc4o3)CC2)nc1F ZINC000759969761 1043075293 /nfs/dbraw/zinc/07/52/93/1043075293.db2.gz QCDXWZNRIMBEHH-UHFFFAOYSA-N 1 2 347.340 3.567 20 0 EHADLO C[C@H](c1ccccc1F)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759969436 1043094985 /nfs/dbraw/zinc/09/49/85/1043094985.db2.gz JJRHLRWHCZMZGY-LLVKDONJSA-N 1 2 339.336 3.521 20 0 EHADLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000344087824 1043233122 /nfs/dbraw/zinc/23/31/22/1043233122.db2.gz ILKJJBMPRMCUGH-LLVKDONJSA-N 1 2 328.343 3.604 20 0 EHADLO CC1(C)C[N@H+](Cc2nc3cccnc3s2)Cc2ccccc2O1 ZINC000344112188 1043267063 /nfs/dbraw/zinc/26/70/63/1043267063.db2.gz KPDNZPBIXSSCFF-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc3cccnc3s2)Cc2ccccc2O1 ZINC000344112188 1043267065 /nfs/dbraw/zinc/26/70/65/1043267065.db2.gz KPDNZPBIXSSCFF-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc32)cc1OC ZINC000344131540 1043303727 /nfs/dbraw/zinc/30/37/27/1043303727.db2.gz MWMBECSDMPGSGH-MEBBXXQBSA-N 1 2 335.350 3.766 20 0 EHADLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000279145009 1043446224 /nfs/dbraw/zinc/44/62/24/1043446224.db2.gz YUTLWOOYKPNRMZ-HNNXBMFYSA-N 1 2 346.475 3.582 20 0 EHADLO O=C(Nc1nc(C(F)(F)F)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344212155 1043452198 /nfs/dbraw/zinc/45/21/98/1043452198.db2.gz LRCRYUZQUXCKJU-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO CCCC[C@H](CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000512150151 1043461060 /nfs/dbraw/zinc/46/10/60/1043461060.db2.gz UYKQVVIUHMYPNK-SFHVURJKSA-N 1 2 331.504 3.589 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cn1ccc(-c3ccsc3)n1)CC2 ZINC000261420001 1043502875 /nfs/dbraw/zinc/50/28/75/1043502875.db2.gz ZMUUZKCLKILCAC-UHFFFAOYSA-N 1 2 325.437 3.636 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cn1ccc(-c3ccsc3)n1)CC2 ZINC000261420001 1043502888 /nfs/dbraw/zinc/50/28/88/1043502888.db2.gz ZMUUZKCLKILCAC-UHFFFAOYSA-N 1 2 325.437 3.636 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000344250998 1043529035 /nfs/dbraw/zinc/52/90/35/1043529035.db2.gz PKJFMXOEDJCLFI-OKZBNKHCSA-N 1 2 332.394 3.768 20 0 EHADLO CC(C)COC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC001167853139 1043541545 /nfs/dbraw/zinc/54/15/45/1043541545.db2.gz WIMUKPPLXXQVDN-UHFFFAOYSA-N 1 2 342.277 3.559 20 0 EHADLO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000344285273 1043592699 /nfs/dbraw/zinc/59/26/99/1043592699.db2.gz YJGGOPWEISSWGY-KRWDZBQOSA-N 1 2 348.443 3.598 20 0 EHADLO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000344285273 1043592707 /nfs/dbraw/zinc/59/27/07/1043592707.db2.gz YJGGOPWEISSWGY-KRWDZBQOSA-N 1 2 348.443 3.598 20 0 EHADLO CC[C@H](CSC)N(C)c1cc(N(C)[C@H](CC)CSC)[nH+]cn1 ZINC000344313686 1043650300 /nfs/dbraw/zinc/65/03/00/1043650300.db2.gz ZJCWAPFBMWOVMQ-ZIAGYGMSSA-N 1 2 342.578 3.632 20 0 EHADLO CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000162776314 1043777970 /nfs/dbraw/zinc/77/79/70/1043777970.db2.gz UOLRCTJKSKDBEG-UHFFFAOYSA-N 1 2 334.379 3.678 20 0 EHADLO C[C@@H]1CCN(c2cc(Cl)c3ncccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000663714361 1043787674 /nfs/dbraw/zinc/78/76/74/1043787674.db2.gz SXTUBIREADJPRA-DOMZBBRYSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1c(N[C@H]2CCC(F)(F)C2)nc[nH+]c1N[C@H]1CCC(F)(F)C1 ZINC000663718612 1043805670 /nfs/dbraw/zinc/80/56/70/1043805670.db2.gz DXDNVPJAQDZLRT-QWRGUYRKSA-N 1 2 332.345 3.984 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3COc4cccc(Cl)c43)ccc2[nH+]1 ZINC000344378312 1043841927 /nfs/dbraw/zinc/84/19/27/1043841927.db2.gz PBXRWRKQAISHFN-CYBMUJFWSA-N 1 2 342.786 3.551 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)co2)[C@@H]1Oc1ccccc1 ZINC000893685645 1043877103 /nfs/dbraw/zinc/87/71/03/1043877103.db2.gz YDPQAMDTKDDULU-MDZRGWNJSA-N 1 2 344.455 3.687 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425981 1044074719 /nfs/dbraw/zinc/07/47/19/1044074719.db2.gz XJQVMGSGLWLHHJ-GTNSWQLSSA-N 1 2 335.473 3.576 20 0 EHADLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425981 1044074734 /nfs/dbraw/zinc/07/47/34/1044074734.db2.gz XJQVMGSGLWLHHJ-GTNSWQLSSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(C)o1 ZINC000279444055 1044090528 /nfs/dbraw/zinc/09/05/28/1044090528.db2.gz HRBYLGRMRRDGGO-STQMWFEESA-N 1 2 325.416 3.797 20 0 EHADLO O=C(CCCCC(=O)c1ccccc1)NCc1c[nH+]cn1C1CCC1 ZINC001143531228 1044186991 /nfs/dbraw/zinc/18/69/91/1044186991.db2.gz OEKNPGBLJHLAFU-UHFFFAOYSA-N 1 2 339.439 3.668 20 0 EHADLO Cc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc[nH+]1 ZINC000010163349 1044203025 /nfs/dbraw/zinc/20/30/25/1044203025.db2.gz FGTJPCYSFBIQMK-UHFFFAOYSA-N 1 2 335.411 3.845 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N([C@H](C)C3CC3)C3CC3)cn2c1 ZINC000344635385 1044224401 /nfs/dbraw/zinc/22/44/01/1044224401.db2.gz XKFDYPDLMKCPJS-CQSZACIVSA-N 1 2 343.496 3.665 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1Cl ZINC000279557695 1044228292 /nfs/dbraw/zinc/22/82/92/1044228292.db2.gz UYTTZKHMDGGKLJ-SMDDNHRTSA-N 1 2 335.810 3.707 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccccn3)s2)cs1 ZINC000344711788 1044325885 /nfs/dbraw/zinc/32/58/85/1044325885.db2.gz TYJZLEGJDFKNRV-NSHDSACASA-N 1 2 346.481 3.659 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCc1c[nH+]cn1C ZINC000279716320 1044462795 /nfs/dbraw/zinc/46/27/95/1044462795.db2.gz AXIHVEYFESFIPQ-MRXNPFEDSA-N 1 2 325.456 3.743 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000432619820 1044527161 /nfs/dbraw/zinc/52/71/61/1044527161.db2.gz QTDYTEJODNVBOU-UHFFFAOYSA-N 1 2 337.533 3.648 20 0 EHADLO Cc1cc(NCCCCNc2cccc[nH+]2)nc(-c2ccncc2)n1 ZINC000112593135 1044614898 /nfs/dbraw/zinc/61/48/98/1044614898.db2.gz HMFDMHSLTZOHJP-UHFFFAOYSA-N 1 2 334.427 3.546 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(-c2ccccc2)o1 ZINC000344907922 1044683732 /nfs/dbraw/zinc/68/37/32/1044683732.db2.gz ZWSFGMSYLWJGBQ-UHFFFAOYSA-N 1 2 335.407 3.964 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841733 1044734823 /nfs/dbraw/zinc/73/48/23/1044734823.db2.gz RQXUDCDOVKFASZ-CHWSQXEVSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841733 1044734834 /nfs/dbraw/zinc/73/48/34/1044734834.db2.gz RQXUDCDOVKFASZ-CHWSQXEVSA-N 1 2 327.827 3.810 20 0 EHADLO Cc1c(Br)scc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001133682437 1136311691 /nfs/dbraw/zinc/31/16/91/1136311691.db2.gz YKOWSLDYWFAPBT-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000620368551 1125557055 /nfs/dbraw/zinc/55/70/55/1125557055.db2.gz OBMIDYVBFMCWDN-MRXNPFEDSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000620500747 1125583264 /nfs/dbraw/zinc/58/32/64/1125583264.db2.gz CIITYVMANJHDHV-GOSISDBHSA-N 1 2 347.462 3.623 20 0 EHADLO C[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)Cn1cc[nH+]c1 ZINC000153715484 1125652690 /nfs/dbraw/zinc/65/26/90/1125652690.db2.gz MNOUCFARJOHBNI-OAHLLOKOSA-N 1 2 347.418 3.778 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000153952422 1125678178 /nfs/dbraw/zinc/67/81/78/1125678178.db2.gz OYCPJLYDOVRDIR-LJQANCHMSA-N 1 2 343.430 3.702 20 0 EHADLO Cn1c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)nc2ccccc21 ZINC000154741672 1125753212 /nfs/dbraw/zinc/75/32/12/1125753212.db2.gz JYUPPXDUYURMFZ-OAHLLOKOSA-N 1 2 341.480 3.816 20 0 EHADLO Cn1c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)nc2ccccc21 ZINC000154741672 1125753217 /nfs/dbraw/zinc/75/32/17/1125753217.db2.gz JYUPPXDUYURMFZ-OAHLLOKOSA-N 1 2 341.480 3.816 20 0 EHADLO C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(C)(C)C ZINC000734444480 1131236503 /nfs/dbraw/zinc/23/65/03/1131236503.db2.gz CHUBWXWKVVPQIS-NVXWUHKLSA-N 1 2 334.529 3.575 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000171275860 1126759085 /nfs/dbraw/zinc/75/90/85/1126759085.db2.gz XNGNOJYIYZTXLC-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000171374112 1126764534 /nfs/dbraw/zinc/76/45/34/1126764534.db2.gz ITPVFYFEHWYLND-INIZCTEOSA-N 1 2 326.419 3.871 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000171374112 1126764538 /nfs/dbraw/zinc/76/45/38/1126764538.db2.gz ITPVFYFEHWYLND-INIZCTEOSA-N 1 2 326.419 3.871 20 0 EHADLO Oc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000337346917 1126822059 /nfs/dbraw/zinc/82/20/59/1126822059.db2.gz WYNAWUIKFKXNAY-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO O=S(=O)(c1ccccc1-c1ccccc1)N1CCc2c[nH+]ccc21 ZINC000175316387 1126870398 /nfs/dbraw/zinc/87/03/98/1126870398.db2.gz FKRCEKIFMHABRQ-UHFFFAOYSA-N 1 2 336.416 3.500 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)cc1Cl ZINC000623121958 1126880744 /nfs/dbraw/zinc/88/07/44/1126880744.db2.gz XAWLCCBFJIPILZ-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)cc1Cl ZINC000623121958 1126880748 /nfs/dbraw/zinc/88/07/48/1126880748.db2.gz XAWLCCBFJIPILZ-UHFFFAOYSA-N 1 2 326.721 3.692 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCn1cc[nH+]c1 ZINC000623243414 1126904210 /nfs/dbraw/zinc/90/42/10/1126904210.db2.gz YODQTGVKHLADHE-UHFFFAOYSA-N 1 2 326.227 3.629 20 0 EHADLO CC(C)c1ccc(C2(C(=O)N[C@H]3Cc4c[nH+]cn4C3)CCCC2)cc1 ZINC000623266567 1126905995 /nfs/dbraw/zinc/90/59/95/1126905995.db2.gz BGNFQVDQGCOKHH-SFHVURJKSA-N 1 2 337.467 3.559 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296663 1126910232 /nfs/dbraw/zinc/91/02/32/1126910232.db2.gz NBSBXGWZAUCTTG-FUHWJXTLSA-N 1 2 345.874 3.797 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000623308508 1126915420 /nfs/dbraw/zinc/91/54/20/1126915420.db2.gz COEQPBCUAGROMW-KRWDZBQOSA-N 1 2 337.467 3.525 20 0 EHADLO Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001238263358 1126926675 /nfs/dbraw/zinc/92/66/75/1126926675.db2.gz OJRXKJBKADVOLA-GFCCVEGCSA-N 1 2 328.161 3.801 20 0 EHADLO Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001238263358 1126926677 /nfs/dbraw/zinc/92/66/77/1126926677.db2.gz OJRXKJBKADVOLA-GFCCVEGCSA-N 1 2 328.161 3.801 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(C)c(Br)cn1)c1nccs1 ZINC000623426530 1126953129 /nfs/dbraw/zinc/95/31/29/1126953129.db2.gz PPSRRVUOTKAQNF-LBPRGKRZSA-N 1 2 326.263 3.850 20 0 EHADLO CN(C)c1c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)ccc(F)c1F ZINC000623510207 1126969114 /nfs/dbraw/zinc/96/91/14/1126969114.db2.gz LTDATGCSZIEFBR-UHFFFAOYSA-N 1 2 348.290 3.877 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000073054343 1126992616 /nfs/dbraw/zinc/99/26/16/1126992616.db2.gz VOIXKGDLANTKBO-KRWDZBQOSA-N 1 2 349.434 3.594 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000185782943 1127010740 /nfs/dbraw/zinc/01/07/40/1127010740.db2.gz QQQSXVZNCNIZCF-ZJUUUORDSA-N 1 2 346.240 3.760 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(Cl)c1Cl ZINC000178156796 1127011702 /nfs/dbraw/zinc/01/17/02/1127011702.db2.gz GKTOBFURXBLJES-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000178366852 1127016461 /nfs/dbraw/zinc/01/64/61/1127016461.db2.gz SFKXIQQAZYFSGS-NWDGAFQWSA-N 1 2 345.468 3.586 20 0 EHADLO Cc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1Cl ZINC000179010534 1127041936 /nfs/dbraw/zinc/04/19/36/1127041936.db2.gz IKCUNOQXNVEFSV-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)c(F)c1 ZINC000179901349 1127098415 /nfs/dbraw/zinc/09/84/15/1127098415.db2.gz GNXJPFFIPZDWTR-NSHDSACASA-N 1 2 335.350 3.611 20 0 EHADLO CC(C)[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(Cl)cc1F ZINC000180261628 1127137758 /nfs/dbraw/zinc/13/77/58/1127137758.db2.gz BJZZJOYZYFJLOU-IRXDYDNUSA-N 1 2 334.822 3.992 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1cccc2[nH+]ccn21 ZINC000180229547 1127134615 /nfs/dbraw/zinc/13/46/15/1127134615.db2.gz MIYZXNPFHVFHJL-KBXCAEBGSA-N 1 2 341.842 3.950 20 0 EHADLO CNC(=O)c1cccc(CSCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000180387227 1127150876 /nfs/dbraw/zinc/15/08/76/1127150876.db2.gz GGVFGRXJESEEKT-UHFFFAOYSA-N 1 2 330.453 3.500 20 0 EHADLO CCCc1cnc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000180793388 1127186790 /nfs/dbraw/zinc/18/67/90/1127186790.db2.gz WJMHXTIFVKQLAA-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO CCOc1ncc(Br)cc1C[NH+]1CCC(CC)CC1 ZINC001238441731 1127194774 /nfs/dbraw/zinc/19/47/74/1127194774.db2.gz UVKDMICGXKXTSX-UHFFFAOYSA-N 1 2 327.266 3.865 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cnn(CC(F)F)c2)CCC1 ZINC000623843984 1127199433 /nfs/dbraw/zinc/19/94/33/1127199433.db2.gz AEQUNBITIMQWIA-UHFFFAOYSA-N 1 2 327.325 3.595 20 0 EHADLO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1nc2c(s1)CCCC2 ZINC000624052621 1127242775 /nfs/dbraw/zinc/24/27/75/1127242775.db2.gz KGPOOZVWVBJQEE-SECBINFHSA-N 1 2 344.406 3.625 20 0 EHADLO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186075449 1127250370 /nfs/dbraw/zinc/25/03/70/1127250370.db2.gz JCARFNQBFGVWDT-NXEZZACHSA-N 1 2 348.256 3.742 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000764007824 1127250978 /nfs/dbraw/zinc/25/09/78/1127250978.db2.gz BNWRJZBJUJSHIE-UHFFFAOYSA-N 1 2 345.402 3.780 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(Br)cn1 ZINC000181013684 1127264008 /nfs/dbraw/zinc/26/40/08/1127264008.db2.gz OQWKMZLGRQSWFO-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(Br)cn1 ZINC000181013684 1127264010 /nfs/dbraw/zinc/26/40/10/1127264010.db2.gz OQWKMZLGRQSWFO-UHFFFAOYSA-N 1 2 345.162 3.893 20 0 EHADLO CCC1(CC)CC[NH+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000186110696 1127275216 /nfs/dbraw/zinc/27/52/16/1127275216.db2.gz DNZVQMZNVPCPIZ-UHFFFAOYSA-N 1 2 336.427 3.836 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)c(Br)c2)s1 ZINC000355370516 1127284270 /nfs/dbraw/zinc/28/42/70/1127284270.db2.gz SALDMMBPPBOZIM-ZETCQYMHSA-N 1 2 330.226 3.599 20 0 EHADLO O=C1NCC[C@H]1[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181888517 1127301480 /nfs/dbraw/zinc/30/14/80/1127301480.db2.gz LFRABANWCIOIHD-CVEARBPZSA-N 1 2 335.234 3.561 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H](COC)Cc2ccccc2)n1 ZINC000182044563 1127309778 /nfs/dbraw/zinc/30/97/78/1127309778.db2.gz JKJBTOMLIDWKEL-ZBFHGGJFSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H](COC)Cc2ccccc2)n1 ZINC000182044563 1127309780 /nfs/dbraw/zinc/30/97/80/1127309780.db2.gz JKJBTOMLIDWKEL-ZBFHGGJFSA-N 1 2 349.500 3.573 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)cc(C)[nH+]1 ZINC000624222803 1127319996 /nfs/dbraw/zinc/31/99/96/1127319996.db2.gz FZDOEFBHFRDUDQ-WGSAOQKQSA-N 1 2 347.503 3.872 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182666917 1127342464 /nfs/dbraw/zinc/34/24/64/1127342464.db2.gz LEWTZDZUCWXXND-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000182666917 1127342469 /nfs/dbraw/zinc/34/24/69/1127342469.db2.gz LEWTZDZUCWXXND-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1c(F)cc(Cl)cc1F ZINC000182852592 1127350739 /nfs/dbraw/zinc/35/07/39/1127350739.db2.gz BLRBMYYVLDJHHC-UHFFFAOYSA-N 1 2 336.729 3.588 20 0 EHADLO OC[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000182930783 1127354931 /nfs/dbraw/zinc/35/49/31/1127354931.db2.gz KMWPAXBWGSWBPR-KRWDZBQOSA-N 1 2 328.799 3.818 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000183094790 1127362443 /nfs/dbraw/zinc/36/24/43/1127362443.db2.gz LXNMPEIZVSABNQ-JLCFBVMHSA-N 1 2 336.526 3.650 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000183335073 1127373088 /nfs/dbraw/zinc/37/30/88/1127373088.db2.gz PBKMKGFUWKCDFT-UHFFFAOYSA-N 1 2 343.315 3.856 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000183335073 1127373091 /nfs/dbraw/zinc/37/30/91/1127373091.db2.gz PBKMKGFUWKCDFT-UHFFFAOYSA-N 1 2 343.315 3.856 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)n1 ZINC000183814405 1127387430 /nfs/dbraw/zinc/38/74/30/1127387430.db2.gz SZIAXFDAUOGZOR-FQEVSTJZSA-N 1 2 336.414 3.561 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184161018 1127396466 /nfs/dbraw/zinc/39/64/66/1127396466.db2.gz GMXFYYRVCTVADT-SFHVURJKSA-N 1 2 344.455 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184246444 1127398664 /nfs/dbraw/zinc/39/86/64/1127398664.db2.gz UTRGLIUWIVFNGS-ZDUSSCGKSA-N 1 2 331.485 3.866 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1nccs1 ZINC000184451869 1127404845 /nfs/dbraw/zinc/40/48/45/1127404845.db2.gz RQNZCQMDSAQUPK-UWVGGRQHSA-N 1 2 338.502 3.575 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184484445 1127405966 /nfs/dbraw/zinc/40/59/66/1127405966.db2.gz SLAMPLNFJKZWGW-HIFRSBDPSA-N 1 2 343.496 3.897 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184527106 1127407874 /nfs/dbraw/zinc/40/78/74/1127407874.db2.gz WDTZUZAZBLWBII-YOEHRIQHSA-N 1 2 344.455 3.881 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)cs1 ZINC000184702026 1127411795 /nfs/dbraw/zinc/41/17/95/1127411795.db2.gz GKFZAAOGBBRLSZ-KBPBESRZSA-N 1 2 325.522 3.687 20 0 EHADLO CCCCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000184788504 1127413063 /nfs/dbraw/zinc/41/30/63/1127413063.db2.gz RFDHZYRHKQFKOF-UHFFFAOYSA-N 1 2 348.468 3.617 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2CC)o1 ZINC000184858647 1127414774 /nfs/dbraw/zinc/41/47/74/1127414774.db2.gz ZUCNAKRBBWBVSB-KSSFIOAISA-N 1 2 344.455 3.709 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)s1 ZINC000184975512 1127417235 /nfs/dbraw/zinc/41/72/35/1127417235.db2.gz XXBSVDJTTTVBPJ-HNNXBMFYSA-N 1 2 345.512 3.929 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)C(C)C)s1 ZINC000184995550 1127418279 /nfs/dbraw/zinc/41/82/79/1127418279.db2.gz OEOZKWTYIOQZJH-NVXWUHKLSA-N 1 2 345.512 3.658 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000185296825 1127424382 /nfs/dbraw/zinc/42/43/82/1127424382.db2.gz IPTNHISEAAVNKY-SFHVURJKSA-N 1 2 344.503 3.936 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C2CC2)cc1 ZINC000194013823 1127450223 /nfs/dbraw/zinc/45/02/23/1127450223.db2.gz NXUUZZZCXSLWIU-OAQYLSRUSA-N 1 2 349.434 3.910 20 0 EHADLO COC[C@]1(C)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000381390326 1127484165 /nfs/dbraw/zinc/48/41/65/1127484165.db2.gz RSWFXLPXCLWFCS-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@]1(C)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000381390326 1127484166 /nfs/dbraw/zinc/48/41/66/1127484166.db2.gz RSWFXLPXCLWFCS-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO CO/C(=C/c1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000764416044 1127493129 /nfs/dbraw/zinc/49/31/29/1127493129.db2.gz GNEDOSZCXRKJIW-WOJGMQOQSA-N 1 2 337.354 3.637 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cc(C)cc(C)c2)c1C ZINC000764770769 1127531673 /nfs/dbraw/zinc/53/16/73/1127531673.db2.gz UAZUGUPHVPBVFV-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)c(N(C)C)[nH+]1 ZINC000749984267 1127545322 /nfs/dbraw/zinc/54/53/22/1127545322.db2.gz XCUUYYOEASOONE-CQSZACIVSA-N 1 2 327.453 3.674 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3scnc3C3CC3)cc2)CC1 ZINC000785430376 1127548134 /nfs/dbraw/zinc/54/81/34/1127548134.db2.gz WXFNQWWJNXTRLV-UHFFFAOYSA-N 1 2 329.469 3.594 20 0 EHADLO CC[C@]1(C)CC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000765074593 1127570581 /nfs/dbraw/zinc/57/05/81/1127570581.db2.gz SVHWBEBXSIROSO-GOSISDBHSA-N 1 2 346.500 3.610 20 0 EHADLO CC[C@]1(C)CC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000765074593 1127570583 /nfs/dbraw/zinc/57/05/83/1127570583.db2.gz SVHWBEBXSIROSO-GOSISDBHSA-N 1 2 346.500 3.610 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542648636 1127589314 /nfs/dbraw/zinc/58/93/14/1127589314.db2.gz HGDJQRJTRQLYTP-FQEVSTJZSA-N 1 2 325.456 3.653 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542648636 1127589319 /nfs/dbraw/zinc/58/93/19/1127589319.db2.gz HGDJQRJTRQLYTP-FQEVSTJZSA-N 1 2 325.456 3.653 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000765316803 1127595954 /nfs/dbraw/zinc/59/59/54/1127595954.db2.gz WFHJNEYQDIEADI-YVACAVLKSA-N 1 2 344.455 3.806 20 0 EHADLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1OC(F)F ZINC000010656901 1127632767 /nfs/dbraw/zinc/63/27/67/1127632767.db2.gz HCBWWWDSXAWTFN-UHFFFAOYSA-N 1 2 347.321 3.734 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)s1 ZINC000018936165 1127676287 /nfs/dbraw/zinc/67/62/87/1127676287.db2.gz FHRBUKLVHGLPHK-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)s1 ZINC000018936165 1127676290 /nfs/dbraw/zinc/67/62/90/1127676290.db2.gz FHRBUKLVHGLPHK-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)o1 ZINC000921552488 1127727678 /nfs/dbraw/zinc/72/76/78/1127727678.db2.gz LMKKZWATTSFPIV-BXUZGUMPSA-N 1 2 328.441 3.550 20 0 EHADLO c1nn(C2CCC2)cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000921556081 1127730447 /nfs/dbraw/zinc/73/04/47/1127730447.db2.gz HTKGMYKOZRCVNB-UHFFFAOYSA-N 1 2 347.466 3.572 20 0 EHADLO FC(F)Sc1nc2ccccc2n1C[N@@H+]1CCOC2(CCC2)C1 ZINC000765724335 1127740685 /nfs/dbraw/zinc/74/06/85/1127740685.db2.gz HAVLAFREWZAVKT-UHFFFAOYSA-N 1 2 339.411 3.563 20 0 EHADLO FC(F)Sc1nc2ccccc2n1C[N@H+]1CCOC2(CCC2)C1 ZINC000765724335 1127740688 /nfs/dbraw/zinc/74/06/88/1127740688.db2.gz HAVLAFREWZAVKT-UHFFFAOYSA-N 1 2 339.411 3.563 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000025061301 1127744991 /nfs/dbraw/zinc/74/49/91/1127744991.db2.gz KURKFACVMMHCHC-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO FC(F)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351030503 1127763809 /nfs/dbraw/zinc/76/38/09/1127763809.db2.gz ZCFSNWCBNLWJOI-UONOGXRCSA-N 1 2 335.354 3.600 20 0 EHADLO FC(F)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351030503 1127763811 /nfs/dbraw/zinc/76/38/11/1127763811.db2.gz ZCFSNWCBNLWJOI-UONOGXRCSA-N 1 2 335.354 3.600 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000029277526 1127797680 /nfs/dbraw/zinc/79/76/80/1127797680.db2.gz KKYQLBOMVGVLPJ-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2cccs2)c1C ZINC000172206979 1127809435 /nfs/dbraw/zinc/80/94/35/1127809435.db2.gz FWODIRSKXMHJDB-UHFFFAOYSA-N 1 2 332.469 3.705 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000030019569 1127814016 /nfs/dbraw/zinc/81/40/16/1127814016.db2.gz DWLGCLCJSOARBN-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1ccccc1Br ZINC000921621218 1127865296 /nfs/dbraw/zinc/86/52/96/1127865296.db2.gz LVRMOACOUALLIC-UHFFFAOYSA-N 1 2 340.652 3.993 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000033471431 1127866404 /nfs/dbraw/zinc/86/64/04/1127866404.db2.gz QOPPVZNQXGKXDF-TWGQIWQCSA-N 1 2 333.435 3.659 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC001670893160 1127876374 /nfs/dbraw/zinc/87/63/74/1127876374.db2.gz TUMOAOFSHJVLJB-MRXNPFEDSA-N 1 2 330.407 3.589 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265634045 1127881732 /nfs/dbraw/zinc/88/17/32/1127881732.db2.gz KFFJPFUHUXQNJL-YJBOKZPZSA-N 1 2 325.456 3.872 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCC(C)CC2)C2CC2)o1 ZINC000042145785 1127886568 /nfs/dbraw/zinc/88/65/68/1127886568.db2.gz ZHYFSMPVKKJIMH-MAUKXSAKSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCC(C)CC2)C2CC2)o1 ZINC000042145785 1127886572 /nfs/dbraw/zinc/88/65/72/1127886572.db2.gz ZHYFSMPVKKJIMH-MAUKXSAKSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000042512499 1127893605 /nfs/dbraw/zinc/89/36/05/1127893605.db2.gz BAHUYGXZFMHTHJ-RCQQVGEISA-N 1 2 339.370 3.500 20 0 EHADLO O=C(NCc1cccc(F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043516797 1127921586 /nfs/dbraw/zinc/92/15/86/1127921586.db2.gz XTAGNIZSRBJHML-UHFFFAOYSA-N 1 2 348.447 3.590 20 0 EHADLO CCS(=O)(=O)CC[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000172396670 1127935304 /nfs/dbraw/zinc/93/53/04/1127935304.db2.gz HQYCOCUYAXDQNF-GFCCVEGCSA-N 1 2 349.418 3.666 20 0 EHADLO CCS(=O)(=O)CC[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000172396670 1127935305 /nfs/dbraw/zinc/93/53/05/1127935305.db2.gz HQYCOCUYAXDQNF-GFCCVEGCSA-N 1 2 349.418 3.666 20 0 EHADLO COc1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000044859169 1127942693 /nfs/dbraw/zinc/94/26/93/1127942693.db2.gz AQIJRMJGQOFOOI-UHFFFAOYSA-N 1 2 346.456 3.782 20 0 EHADLO O=C(Nc1cccc2cnccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045080023 1127945412 /nfs/dbraw/zinc/94/54/12/1127945412.db2.gz MAHQCYPQJJEXDY-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045671562 1127956642 /nfs/dbraw/zinc/95/66/42/1127956642.db2.gz OSHIKTSGEIDWML-CQSZACIVSA-N 1 2 337.448 3.752 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccccc2)[nH]n1 ZINC000045955568 1127964728 /nfs/dbraw/zinc/96/47/28/1127964728.db2.gz QRHCFJQVOSKSDT-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(Nc1cccc2ncccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047243338 1128004301 /nfs/dbraw/zinc/00/43/01/1128004301.db2.gz AKYRCMMZBHTWEW-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000282172278 1128028277 /nfs/dbraw/zinc/02/82/77/1128028277.db2.gz JJYFRVRXHVMACY-CQSZACIVSA-N 1 2 344.484 3.713 20 0 EHADLO Clc1cc2cccnc2c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212364528 1128032103 /nfs/dbraw/zinc/03/21/03/1128032103.db2.gz LILGWCDSISGXJP-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)COc1cccc(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366753 1128046227 /nfs/dbraw/zinc/04/62/27/1128046227.db2.gz ZDCJNHYWHJDHMP-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1)C(C)C ZINC000347531805 1128047369 /nfs/dbraw/zinc/04/73/69/1128047369.db2.gz VNVUXPXDVXQNHQ-KRWDZBQOSA-N 1 2 341.499 3.881 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1)C(C)C ZINC000347531805 1128047372 /nfs/dbraw/zinc/04/73/72/1128047372.db2.gz VNVUXPXDVXQNHQ-KRWDZBQOSA-N 1 2 341.499 3.881 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000057431066 1128049403 /nfs/dbraw/zinc/04/94/03/1128049403.db2.gz UICTZKVSSXMFCT-STQMWFEESA-N 1 2 339.361 3.600 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C)c2ccccc2)c1C ZINC000057607374 1128053769 /nfs/dbraw/zinc/05/37/69/1128053769.db2.gz IXQDXZXKIMAZJK-AWEZNQCLSA-N 1 2 341.455 3.652 20 0 EHADLO CC(C)(C)Oc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212368614 1128058498 /nfs/dbraw/zinc/05/84/98/1128058498.db2.gz HCOMNJWTYZCBHW-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cccc2Cl)c1C ZINC000058958674 1128086506 /nfs/dbraw/zinc/08/65/06/1128086506.db2.gz FHPDSEAVGVRXMU-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nccc(OC)c1OC ZINC000347565687 1128096343 /nfs/dbraw/zinc/09/63/43/1128096343.db2.gz VMUQCKWJMNDYRE-INIZCTEOSA-N 1 2 330.428 3.691 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nccc(OC)c1OC ZINC000347565687 1128096346 /nfs/dbraw/zinc/09/63/46/1128096346.db2.gz VMUQCKWJMNDYRE-INIZCTEOSA-N 1 2 330.428 3.691 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000347601256 1128132698 /nfs/dbraw/zinc/13/26/98/1128132698.db2.gz VSZBZKMGGKDICG-UHFFFAOYSA-N 1 2 346.406 3.633 20 0 EHADLO Fc1cccn2cc(C[NH2+]Cc3c(F)cccc3N3CCCC3)nc12 ZINC000671723872 1128134161 /nfs/dbraw/zinc/13/41/61/1128134161.db2.gz HSZALLFJKLJABP-UHFFFAOYSA-N 1 2 342.393 3.503 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000347621768 1128150121 /nfs/dbraw/zinc/15/01/21/1128150121.db2.gz QVQQYXIUUINRJC-KRWDZBQOSA-N 1 2 344.455 3.838 20 0 EHADLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064631612 1128172197 /nfs/dbraw/zinc/17/21/97/1128172197.db2.gz AJIGDRXURGIXMM-UHFFFAOYSA-N 1 2 343.423 3.726 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)nc2ccccc12 ZINC000671745541 1128184968 /nfs/dbraw/zinc/18/49/68/1128184968.db2.gz ZRMCZHRGEMGJGY-NSHDSACASA-N 1 2 334.379 3.636 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000065296855 1128187566 /nfs/dbraw/zinc/18/75/66/1128187566.db2.gz OBZWWPJCCJSPSZ-HNNXBMFYSA-N 1 2 349.525 3.704 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000065296855 1128187568 /nfs/dbraw/zinc/18/75/68/1128187568.db2.gz OBZWWPJCCJSPSZ-HNNXBMFYSA-N 1 2 349.525 3.704 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1COc2c1ccc(Cl)c2Cl)C1CC1 ZINC000671766341 1128261678 /nfs/dbraw/zinc/26/16/78/1128261678.db2.gz HKDIAAAQVBMDSH-OCCSQVGLSA-N 1 2 338.238 3.901 20 0 EHADLO Cc1ccc(SCCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068422032 1128266077 /nfs/dbraw/zinc/26/60/77/1128266077.db2.gz HLBZFTHXTRTYMG-UHFFFAOYSA-N 1 2 343.496 3.881 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000068420784 1128266142 /nfs/dbraw/zinc/26/61/42/1128266142.db2.gz YCGLDMWUVJSSIG-UONOGXRCSA-N 1 2 343.393 3.759 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069088706 1128281915 /nfs/dbraw/zinc/28/19/15/1128281915.db2.gz UUZWFQXIORFQJI-ZDUSSCGKSA-N 1 2 340.452 3.811 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069088706 1128281918 /nfs/dbraw/zinc/28/19/18/1128281918.db2.gz UUZWFQXIORFQJI-ZDUSSCGKSA-N 1 2 340.452 3.811 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000671773440 1128299912 /nfs/dbraw/zinc/29/99/12/1128299912.db2.gz VTFIEEIZLIDNIH-GHMZBOCLSA-N 1 2 343.374 3.687 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000072658031 1128303602 /nfs/dbraw/zinc/30/36/02/1128303602.db2.gz FVHFVOFPKGWFJN-LJQANCHMSA-N 1 2 339.826 3.832 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073252394 1128319101 /nfs/dbraw/zinc/31/91/01/1128319101.db2.gz HMFJPCWUXWSKTP-MRXNPFEDSA-N 1 2 331.366 3.622 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073252394 1128319103 /nfs/dbraw/zinc/31/91/03/1128319103.db2.gz HMFJPCWUXWSKTP-MRXNPFEDSA-N 1 2 331.366 3.622 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000073859064 1128329800 /nfs/dbraw/zinc/32/98/00/1128329800.db2.gz PVKSITBFYJTNGB-UHFFFAOYSA-N 1 2 349.409 3.875 20 0 EHADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1OCC1CCCCC1 ZINC000073940020 1128331398 /nfs/dbraw/zinc/33/13/98/1128331398.db2.gz UXJANTABDYHBML-UHFFFAOYSA-N 1 2 327.428 3.789 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)CCc2ccc(Cl)cc2)cs1 ZINC000113266151 1128358794 /nfs/dbraw/zinc/35/87/94/1128358794.db2.gz MCZPDXNKVHLOOD-UHFFFAOYSA-N 1 2 338.860 3.648 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)CCc2ccc(Cl)cc2)cs1 ZINC000113266151 1128358797 /nfs/dbraw/zinc/35/87/97/1128358797.db2.gz MCZPDXNKVHLOOD-UHFFFAOYSA-N 1 2 338.860 3.648 20 0 EHADLO CC1(C)C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C(C)(C)O1 ZINC000624449050 1128365034 /nfs/dbraw/zinc/36/50/34/1128365034.db2.gz YRFXNFZBNDDMSZ-ZDUSSCGKSA-N 1 2 331.391 3.544 20 0 EHADLO O=C(NCc1cc(Cl)cc(Cl)c1)Nc1ccn2cc[nH+]c2c1 ZINC001670977966 1128404524 /nfs/dbraw/zinc/40/45/24/1128404524.db2.gz WLXPJLNMZZHOOF-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)Cc3cnc4ccccc4n3)cc2[nH+]1 ZINC000338669644 1128427846 /nfs/dbraw/zinc/42/78/46/1128427846.db2.gz VTMJCPUBUVARHK-GFCCVEGCSA-N 1 2 345.406 3.632 20 0 EHADLO CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921657703 1128438471 /nfs/dbraw/zinc/43/84/71/1128438471.db2.gz ZASNZGPDZVRLFY-WBVHZDCISA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)cc2)[nH+]c1C ZINC000921668458 1128447726 /nfs/dbraw/zinc/44/77/26/1128447726.db2.gz QISAOFASHNLUQU-ADLMAVQZSA-N 1 2 349.438 3.721 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000623658502 1128453373 /nfs/dbraw/zinc/45/33/73/1128453373.db2.gz WSHMGAUWAZSSOR-SFHVURJKSA-N 1 2 342.393 3.623 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](SC)c2ccccc2)c1C ZINC000172530648 1128494555 /nfs/dbraw/zinc/49/45/55/1128494555.db2.gz ZMAYDBHJONGWFT-SFHVURJKSA-N 1 2 344.480 3.770 20 0 EHADLO C[NH+](C)[C@H](CN[C@H](c1ccccc1)c1cncnc1)c1ccsc1 ZINC000542674954 1128522942 /nfs/dbraw/zinc/52/29/42/1128522942.db2.gz YDMKKLMJOAKZOO-RTBURBONSA-N 1 2 338.480 3.520 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2c1 ZINC000055696378 1128527364 /nfs/dbraw/zinc/52/73/64/1128527364.db2.gz DEBPQSWBYZBPQW-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 ZINC000056202002 1128547262 /nfs/dbraw/zinc/54/72/62/1128547262.db2.gz JIMFVPDGPAIVQC-FQEVSTJZSA-N 1 2 349.409 3.999 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(Cl)c1Cl ZINC000056540928 1128563198 /nfs/dbraw/zinc/56/31/98/1128563198.db2.gz RRTLGCSYKSWBAT-UHFFFAOYSA-N 1 2 327.215 3.792 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)CC1 ZINC000301507381 1128594531 /nfs/dbraw/zinc/59/45/31/1128594531.db2.gz MAECQVLBTUAGDI-LLVKDONJSA-N 1 2 347.311 3.638 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057373192 1128633253 /nfs/dbraw/zinc/63/32/53/1128633253.db2.gz ZYESJAJQCUGJEN-CQSZACIVSA-N 1 2 334.851 3.719 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnc(C)s1 ZINC000542800451 1128636770 /nfs/dbraw/zinc/63/67/70/1128636770.db2.gz HHORZPRLAGWSMY-UHFFFAOYSA-N 1 2 325.437 3.812 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428837100 1128669326 /nfs/dbraw/zinc/66/93/26/1128669326.db2.gz WDTBCPDMUSUZPP-MRXNPFEDSA-N 1 2 334.508 3.967 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000347663258 1128714203 /nfs/dbraw/zinc/71/42/03/1128714203.db2.gz CPLSXTCDIKLBSR-UHFFFAOYSA-N 1 2 341.798 3.868 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000060473027 1128733149 /nfs/dbraw/zinc/73/31/49/1128733149.db2.gz ATODFVIPPRCIGF-GFCCVEGCSA-N 1 2 328.909 3.918 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000060473027 1128733150 /nfs/dbraw/zinc/73/31/50/1128733150.db2.gz ATODFVIPPRCIGF-GFCCVEGCSA-N 1 2 328.909 3.918 20 0 EHADLO O=C1[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CCN1C1CCC1 ZINC000624781314 1128742757 /nfs/dbraw/zinc/74/27/57/1128742757.db2.gz HBYBRTSWTZIEEA-OAHLLOKOSA-N 1 2 333.794 3.593 20 0 EHADLO Cn1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(C2CCCC2)n1 ZINC000921768961 1128746668 /nfs/dbraw/zinc/74/66/68/1128746668.db2.gz DKCAUCOKYNIZOD-UHFFFAOYSA-N 1 2 344.406 3.843 20 0 EHADLO Brc1c[nH]c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000921837844 1128801008 /nfs/dbraw/zinc/80/10/08/1128801008.db2.gz FWOSEFGZTXCVJL-LBPRGKRZSA-N 1 2 348.244 3.708 20 0 EHADLO Cc1cc(N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000338743914 1128814391 /nfs/dbraw/zinc/81/43/91/1128814391.db2.gz HCHKWRDWKZBXNV-OAHLLOKOSA-N 1 2 329.366 3.599 20 0 EHADLO CC[C@@H]1c2ccccc2CCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000074643286 1128818086 /nfs/dbraw/zinc/81/80/86/1128818086.db2.gz YEJXSVSCOQSPEE-LJQANCHMSA-N 1 2 333.435 3.721 20 0 EHADLO CC(C)(C)c1coc(CNc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000921880877 1128872150 /nfs/dbraw/zinc/87/21/50/1128872150.db2.gz NUOZBGVPMRYNGU-UHFFFAOYSA-N 1 2 340.427 3.860 20 0 EHADLO Cc1nnc(N(C)CC2CCCCC2)n1CCCNc1cccc[nH+]1 ZINC001707864185 1120018550 /nfs/dbraw/zinc/01/85/50/1120018550.db2.gz WDNAPGIMVLGHNI-UHFFFAOYSA-N 1 2 342.491 3.500 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@]3(C)CCCS3)ccc21 ZINC001670371387 1120043713 /nfs/dbraw/zinc/04/37/13/1120043713.db2.gz QQVRKZXWQSFZOI-GOSISDBHSA-N 1 2 344.484 3.708 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371726 1120044466 /nfs/dbraw/zinc/04/44/66/1120044466.db2.gz WUXIVJJZOFNFMC-LPHOPBHVSA-N 1 2 326.444 3.857 20 0 EHADLO Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001670532101 1120083455 /nfs/dbraw/zinc/08/34/55/1120083455.db2.gz OWBLMRSLWLULEO-LBPRGKRZSA-N 1 2 340.814 3.745 20 0 EHADLO C[C@H](CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000129603434 1120149050 /nfs/dbraw/zinc/14/90/50/1120149050.db2.gz BRUHESSCLOETAB-HZPDHXFCSA-N 1 2 334.423 3.638 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001687360693 1120176184 /nfs/dbraw/zinc/17/61/84/1120176184.db2.gz JHSYJOGEZDUKOJ-PXNSSMCTSA-N 1 2 341.499 3.785 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001687360693 1120176187 /nfs/dbraw/zinc/17/61/87/1120176187.db2.gz JHSYJOGEZDUKOJ-PXNSSMCTSA-N 1 2 341.499 3.785 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338762510 1128897300 /nfs/dbraw/zinc/89/73/00/1128897300.db2.gz UZIHUSPDPBUFRJ-AWEZNQCLSA-N 1 2 329.469 3.605 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ncoc1-c1ccccc1 ZINC000112007178 1128900082 /nfs/dbraw/zinc/90/00/82/1128900082.db2.gz NXBAUHVGPNHMST-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000008118312 1128903695 /nfs/dbraw/zinc/90/36/95/1128903695.db2.gz NPVLPLHPLIEZDM-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000008118312 1128903696 /nfs/dbraw/zinc/90/36/96/1128903696.db2.gz NPVLPLHPLIEZDM-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000355248981 1128907491 /nfs/dbraw/zinc/90/74/91/1128907491.db2.gz AOLUEXYHQUADRQ-CYBMUJFWSA-N 1 2 331.485 3.563 20 0 EHADLO C[C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687423717 1120336176 /nfs/dbraw/zinc/33/61/76/1120336176.db2.gz DQDFNBYSSYNIHY-DOTOQJQBSA-N 1 2 328.460 3.606 20 0 EHADLO c1ccc([C@H]2OCCC[C@H]2CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302917856 1120396380 /nfs/dbraw/zinc/39/63/80/1120396380.db2.gz XJFJUCSFCQYMEV-FXAWDEMLSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@H]2OCCC[C@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302917856 1120396386 /nfs/dbraw/zinc/39/63/86/1120396386.db2.gz XJFJUCSFCQYMEV-FXAWDEMLSA-N 1 2 338.455 3.657 20 0 EHADLO Cc1cc(C)c2c(=O)[nH]c(SCc3ccc(C)[nH+]c3C)nc2n1 ZINC000185264655 1120406062 /nfs/dbraw/zinc/40/60/62/1120406062.db2.gz UJGHIUFNPTVUGL-UHFFFAOYSA-N 1 2 326.425 3.651 20 0 EHADLO COc1c(C)cnc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1C ZINC000186565941 1120466352 /nfs/dbraw/zinc/46/63/52/1120466352.db2.gz HPVLNVLJMPSGCQ-UHFFFAOYSA-N 1 2 338.455 3.619 20 0 EHADLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1C ZINC000393348964 1120511757 /nfs/dbraw/zinc/51/17/57/1120511757.db2.gz OZHCCEAVATUPJF-CYBMUJFWSA-N 1 2 336.277 3.959 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000494268228 1120524447 /nfs/dbraw/zinc/52/44/47/1120524447.db2.gz NAYAGVQGVFOWGJ-RVDMUPIBSA-N 1 2 341.455 3.946 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000494268228 1120524449 /nfs/dbraw/zinc/52/44/49/1120524449.db2.gz NAYAGVQGVFOWGJ-RVDMUPIBSA-N 1 2 341.455 3.946 20 0 EHADLO C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1nccn1C ZINC000494440448 1120566762 /nfs/dbraw/zinc/56/67/62/1120566762.db2.gz XQFQWQDUKHTROW-SKDRFNHKSA-N 1 2 338.274 3.680 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000494498314 1120573478 /nfs/dbraw/zinc/57/34/78/1120573478.db2.gz VCIDLZAFMTVDNA-INIZCTEOSA-N 1 2 329.444 3.582 20 0 EHADLO CC[C@@H]([NH2+]CC1(c2ccccc2C)CCOCC1)C(=O)OC(C)(C)C ZINC000190536444 1120641910 /nfs/dbraw/zinc/64/19/10/1120641910.db2.gz SCQYDMNHYOBSPW-GOSISDBHSA-N 1 2 347.499 3.753 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCCCCC1 ZINC000191238061 1120665266 /nfs/dbraw/zinc/66/52/66/1120665266.db2.gz JDRRLSZBAVXTJT-UHFFFAOYSA-N 1 2 342.405 3.844 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCCCCC1 ZINC000191238061 1120665267 /nfs/dbraw/zinc/66/52/67/1120665267.db2.gz JDRRLSZBAVXTJT-UHFFFAOYSA-N 1 2 342.405 3.844 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000153105956 1120687450 /nfs/dbraw/zinc/68/74/50/1120687450.db2.gz MJWWHXRMFLQFAQ-AWEZNQCLSA-N 1 2 340.562 3.876 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000153105956 1120687453 /nfs/dbraw/zinc/68/74/53/1120687453.db2.gz MJWWHXRMFLQFAQ-AWEZNQCLSA-N 1 2 340.562 3.876 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1ccccc1F ZINC000192256715 1120727851 /nfs/dbraw/zinc/72/78/51/1120727851.db2.gz XVNNDQCJJOPOLX-OAHLLOKOSA-N 1 2 331.435 3.627 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000193477200 1120778305 /nfs/dbraw/zinc/77/83/05/1120778305.db2.gz QLAWUPSXBWPPPQ-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000193477200 1120778307 /nfs/dbraw/zinc/77/83/07/1120778307.db2.gz QLAWUPSXBWPPPQ-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccnc1OC)c1nc(C(F)(F)F)cs1 ZINC000193549965 1120783791 /nfs/dbraw/zinc/78/37/91/1120783791.db2.gz UTGUNVBUHJXBHA-SNVBAGLBSA-N 1 2 331.363 3.806 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)c1ccccc1F ZINC000195732571 1120814094 /nfs/dbraw/zinc/81/40/94/1120814094.db2.gz OMVQCBSZSYQXAR-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)c1ccccc1F ZINC000195732571 1120814096 /nfs/dbraw/zinc/81/40/96/1120814096.db2.gz OMVQCBSZSYQXAR-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO COCc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000761700356 1120829989 /nfs/dbraw/zinc/82/99/89/1120829989.db2.gz PPUMIFFHDUQZST-UHFFFAOYSA-N 1 2 332.363 3.736 20 0 EHADLO COc1ccccc1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194387035 1120840225 /nfs/dbraw/zinc/84/02/25/1120840225.db2.gz IUXFHBKTWOFFMZ-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@H+](C/C=C/c3ccncc3)CCO2)cc1 ZINC000494933156 1120904876 /nfs/dbraw/zinc/90/48/76/1120904876.db2.gz FHHIDNBNPTXQNG-ZMXQLYDGSA-N 1 2 346.377 3.770 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@@H+](C/C=C/c3ccncc3)CCO2)cc1 ZINC000494933156 1120904880 /nfs/dbraw/zinc/90/48/80/1120904880.db2.gz FHHIDNBNPTXQNG-ZMXQLYDGSA-N 1 2 346.377 3.770 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000494964847 1120920720 /nfs/dbraw/zinc/92/07/20/1120920720.db2.gz SVPYOCNNNODCSG-AWEZNQCLSA-N 1 2 334.851 3.545 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000494964847 1120920724 /nfs/dbraw/zinc/92/07/24/1120920724.db2.gz SVPYOCNNNODCSG-AWEZNQCLSA-N 1 2 334.851 3.545 20 0 EHADLO C[N@H+](Cc1cc(Cl)cs1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000494982321 1120922510 /nfs/dbraw/zinc/92/25/10/1120922510.db2.gz WBYQRKKZLVPVLX-HNNXBMFYSA-N 1 2 338.835 3.778 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000494982321 1120922513 /nfs/dbraw/zinc/92/25/13/1120922513.db2.gz WBYQRKKZLVPVLX-HNNXBMFYSA-N 1 2 338.835 3.778 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000494998778 1120925717 /nfs/dbraw/zinc/92/57/17/1120925717.db2.gz PZSMBRLZNUUFMU-USXIJHARSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000494998778 1120925719 /nfs/dbraw/zinc/92/57/19/1120925719.db2.gz PZSMBRLZNUUFMU-USXIJHARSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000495076272 1120945695 /nfs/dbraw/zinc/94/56/95/1120945695.db2.gz YLAHPWCQBGXSNW-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000495076272 1120945697 /nfs/dbraw/zinc/94/56/97/1120945697.db2.gz YLAHPWCQBGXSNW-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO O=C(Nc1cccc(OC(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000053434474 1120979985 /nfs/dbraw/zinc/97/99/85/1120979985.db2.gz HARBUNSGGCULCG-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccncc2)n(CC)c1=S)C1CC1 ZINC000914783714 1120984250 /nfs/dbraw/zinc/98/42/50/1120984250.db2.gz CEKWQFYEJSETOQ-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccncc2)n(CC)c1=S)C1CC1 ZINC000914783714 1120984255 /nfs/dbraw/zinc/98/42/55/1120984255.db2.gz CEKWQFYEJSETOQ-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)CC1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000154502708 1120984616 /nfs/dbraw/zinc/98/46/16/1120984616.db2.gz CYLALBGSCPCWRN-IRXDYDNUSA-N 1 2 332.492 3.692 20 0 EHADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000356214028 1128957915 /nfs/dbraw/zinc/95/79/15/1128957915.db2.gz XDXDNQIOBCNVGU-MSOLQXFVSA-N 1 2 347.503 3.709 20 0 EHADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000356214028 1128957919 /nfs/dbraw/zinc/95/79/19/1128957919.db2.gz XDXDNQIOBCNVGU-MSOLQXFVSA-N 1 2 347.503 3.709 20 0 EHADLO CCc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000303410957 1121144028 /nfs/dbraw/zinc/14/40/28/1121144028.db2.gz UYAXWWCQSDHLRB-UHFFFAOYSA-N 1 2 349.434 3.798 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540933 1121158099 /nfs/dbraw/zinc/15/80/99/1121158099.db2.gz UJFSUWBSKQGFNH-SWLSCSKDSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540933 1121158096 /nfs/dbraw/zinc/15/80/96/1121158096.db2.gz UJFSUWBSKQGFNH-SWLSCSKDSA-N 1 2 326.843 3.606 20 0 EHADLO CN(C)c1cc(CSc2nnc(-c3ccccc3F)o2)cc[nH+]1 ZINC000762470290 1121314351 /nfs/dbraw/zinc/31/43/51/1121314351.db2.gz TZZCLCZCKIKBSP-UHFFFAOYSA-N 1 2 330.388 3.629 20 0 EHADLO CN(C)c1cc(CSc2nnc(-c3ccccc3)s2)cc[nH+]1 ZINC000762475986 1121316906 /nfs/dbraw/zinc/31/69/06/1121316906.db2.gz WKLKFJQSGIIHLA-UHFFFAOYSA-N 1 2 328.466 3.958 20 0 EHADLO CN(C)c1cc(CSc2nnc(CCc3ccccc3)o2)cc[nH+]1 ZINC000762479317 1121321350 /nfs/dbraw/zinc/32/13/50/1121321350.db2.gz LOZQIJFNMFIKMB-UHFFFAOYSA-N 1 2 340.452 3.608 20 0 EHADLO CN(C)C(=O)OC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000495723212 1121377629 /nfs/dbraw/zinc/37/76/29/1121377629.db2.gz ZRHBIJBSBBOHQX-UHFFFAOYSA-N 1 2 333.819 3.555 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)cc(C(=O)N2CCCCC2)c1 ZINC001212204378 1121406961 /nfs/dbraw/zinc/40/69/61/1121406961.db2.gz ILEZVFAZMSRKFU-UHFFFAOYSA-N 1 2 329.375 3.599 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(SCc2ccccc2)cn1 ZINC000356554514 1128983652 /nfs/dbraw/zinc/98/36/52/1128983652.db2.gz YCOOQYIVNRCWJF-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(SCc2ccccc2)cn1 ZINC000356554514 1128983658 /nfs/dbraw/zinc/98/36/58/1128983658.db2.gz YCOOQYIVNRCWJF-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1nnc2n1CCCCC2 ZINC001649015529 1121449273 /nfs/dbraw/zinc/44/92/73/1121449273.db2.gz RAHKUEDPQGJKMM-AWEZNQCLSA-N 1 2 338.377 3.663 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1noc(C(C)(C)C)n1 ZINC000915669376 1121582930 /nfs/dbraw/zinc/58/29/30/1121582930.db2.gz GAEZDAXEHTVFKY-UHFFFAOYSA-N 1 2 327.432 3.977 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nc(CC(C)C)no1 ZINC000915669425 1121582956 /nfs/dbraw/zinc/58/29/56/1121582956.db2.gz HKPWMGMPJKNELC-UHFFFAOYSA-N 1 2 327.432 3.878 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(C2SCCCS2)cc1 ZINC000763111744 1121684839 /nfs/dbraw/zinc/68/48/39/1121684839.db2.gz NELVOVVGIBOHSX-UHFFFAOYSA-N 1 2 334.466 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc(-c4ccccc4)cs3)[nH+]c12 ZINC000041304077 1121701441 /nfs/dbraw/zinc/70/14/41/1121701441.db2.gz MCURKJOONIPJAT-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000194158279 1121792706 /nfs/dbraw/zinc/79/27/06/1121792706.db2.gz AJOJYBREAOKIGY-KRWDZBQOSA-N 1 2 345.446 3.754 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1ccccc1Cl ZINC000055102836 1121795994 /nfs/dbraw/zinc/79/59/94/1121795994.db2.gz ISRDWIOVANMYQG-UHFFFAOYSA-N 1 2 344.842 3.864 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3ccc(OC(F)F)cc3)cc2[nH+]1 ZINC000055229654 1121808301 /nfs/dbraw/zinc/80/83/01/1121808301.db2.gz JTUSUDQSKHUELE-UHFFFAOYSA-N 1 2 331.322 3.654 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC000055696839 1121857643 /nfs/dbraw/zinc/85/76/43/1121857643.db2.gz UAWSCDFRWSGWDP-IBGZPJMESA-N 1 2 331.419 3.609 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000763242663 1121918582 /nfs/dbraw/zinc/91/85/82/1121918582.db2.gz QWZYYPKERILYOE-OAHLLOKOSA-N 1 2 348.541 3.953 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000763242663 1121918588 /nfs/dbraw/zinc/91/85/88/1121918588.db2.gz QWZYYPKERILYOE-OAHLLOKOSA-N 1 2 348.541 3.953 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)c1=S ZINC000763244517 1121920785 /nfs/dbraw/zinc/92/07/85/1121920785.db2.gz VWNBKBPIMUHYPQ-KRWDZBQOSA-N 1 2 330.501 3.955 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)c1=S ZINC000763244517 1121920794 /nfs/dbraw/zinc/92/07/94/1121920794.db2.gz VWNBKBPIMUHYPQ-KRWDZBQOSA-N 1 2 330.501 3.955 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485296 1121921316 /nfs/dbraw/zinc/92/13/16/1121921316.db2.gz UJMLHOJRJOZDGF-CQSZACIVSA-N 1 2 346.862 3.940 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000763286697 1121942307 /nfs/dbraw/zinc/94/23/07/1121942307.db2.gz CBILMXMYVXGWRM-UHFFFAOYSA-N 1 2 332.831 3.982 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763332913 1121962120 /nfs/dbraw/zinc/96/21/20/1121962120.db2.gz PPTYADHLJIBSSQ-CYBMUJFWSA-N 1 2 331.441 3.571 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763332913 1121962124 /nfs/dbraw/zinc/96/21/24/1121962124.db2.gz PPTYADHLJIBSSQ-CYBMUJFWSA-N 1 2 331.441 3.571 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3CC[C@H](C4CC4)C3)c(=S)o2)c1 ZINC000763333163 1121966579 /nfs/dbraw/zinc/96/65/79/1121966579.db2.gz PNTZHONKSPIPAN-HNNXBMFYSA-N 1 2 345.468 3.782 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3CC[C@H](C4CC4)C3)c(=S)o2)c1 ZINC000763333163 1121966584 /nfs/dbraw/zinc/96/65/84/1121966584.db2.gz PNTZHONKSPIPAN-HNNXBMFYSA-N 1 2 345.468 3.782 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=S)n1-c1ccccc1C ZINC000763333185 1121967579 /nfs/dbraw/zinc/96/75/79/1121967579.db2.gz PQIFFLPNZXAENY-INIZCTEOSA-N 1 2 328.485 3.710 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=S)n1-c1ccccc1C ZINC000763333185 1121967586 /nfs/dbraw/zinc/96/75/86/1121967586.db2.gz PQIFFLPNZXAENY-INIZCTEOSA-N 1 2 328.485 3.710 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444191512 1121970272 /nfs/dbraw/zinc/97/02/72/1121970272.db2.gz GAAWBXCPABSPOR-BZSNNMDCSA-N 1 2 346.519 3.914 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(N3CCc4ccccc43)CC2)n1 ZINC000282134913 1121982136 /nfs/dbraw/zinc/98/21/36/1121982136.db2.gz ROKZBRRIJYFOFI-HNNXBMFYSA-N 1 2 340.471 3.781 20 0 EHADLO Cc1cccc(NC(=S)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000916014553 1122029448 /nfs/dbraw/zinc/02/94/48/1122029448.db2.gz HAGLTMNWSCLLFC-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]Cc2ccccc2F)s1 ZINC000496278449 1122038956 /nfs/dbraw/zinc/03/89/56/1122038956.db2.gz WOSQJJLCBCYQAV-UHFFFAOYSA-N 1 2 337.420 3.919 20 0 EHADLO COC(=O)Nc1cccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1C ZINC000496306979 1122044561 /nfs/dbraw/zinc/04/45/61/1122044561.db2.gz LWQIUAKLOHWBIH-UHFFFAOYSA-N 1 2 342.399 3.507 20 0 EHADLO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1OC ZINC000672622307 1129028471 /nfs/dbraw/zinc/02/84/71/1129028471.db2.gz WZENVEABOMNOOJ-MLGOLLRUSA-N 1 2 329.387 3.559 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338789864 1129030000 /nfs/dbraw/zinc/03/00/00/1129030000.db2.gz IMKFDYQYHNJHJP-KFKAGJAMSA-N 1 2 348.450 3.666 20 0 EHADLO Cc1[nH]c(CNc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[nH+]c1C ZINC000496552724 1122117672 /nfs/dbraw/zinc/11/76/72/1122117672.db2.gz RQHYYFCXZIMSRU-UHFFFAOYSA-N 1 2 342.443 3.936 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CCc1ccccc1)C1CC1 ZINC000916377573 1122142463 /nfs/dbraw/zinc/14/24/63/1122142463.db2.gz IIEPOSSKNWHHGE-UHFFFAOYSA-N 1 2 345.446 3.779 20 0 EHADLO Cc1sc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c(C)c1C ZINC000125756206 1122333325 /nfs/dbraw/zinc/33/33/25/1122333325.db2.gz WNLSMODJIKTLJY-UHFFFAOYSA-N 1 2 331.485 3.917 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c(C)c1C ZINC000125756206 1122333330 /nfs/dbraw/zinc/33/33/30/1122333330.db2.gz WNLSMODJIKTLJY-UHFFFAOYSA-N 1 2 331.485 3.917 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000497177083 1122357972 /nfs/dbraw/zinc/35/79/72/1122357972.db2.gz ISZDZUOWMFCTLZ-OAHLLOKOSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000497177083 1122357982 /nfs/dbraw/zinc/35/79/82/1122357982.db2.gz ISZDZUOWMFCTLZ-OAHLLOKOSA-N 1 2 345.896 3.533 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCCCn2cc(C)cn2)o1 ZINC000126195032 1122394291 /nfs/dbraw/zinc/39/42/91/1122394291.db2.gz LVYQFSIIGTXVCR-GOSISDBHSA-N 1 2 331.460 3.591 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCCCCn2cc(C)cn2)o1 ZINC000126195032 1122394297 /nfs/dbraw/zinc/39/42/97/1122394297.db2.gz LVYQFSIIGTXVCR-GOSISDBHSA-N 1 2 331.460 3.591 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(O)cc(F)c1 ZINC000497287265 1122436454 /nfs/dbraw/zinc/43/64/54/1122436454.db2.gz UUIVHWMIAXZWNC-UHFFFAOYSA-N 1 2 347.390 3.563 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000917076931 1122473856 /nfs/dbraw/zinc/47/38/56/1122473856.db2.gz OHPZXYIJKNJAJC-YWTNHNAXSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000917076931 1122473859 /nfs/dbraw/zinc/47/38/59/1122473859.db2.gz OHPZXYIJKNJAJC-YWTNHNAXSA-N 1 2 347.503 3.593 20 0 EHADLO CCOc1ccccc1N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000127591807 1122495433 /nfs/dbraw/zinc/49/54/33/1122495433.db2.gz KFJIZRFMNNIUED-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccoc2)cc1 ZINC000497471983 1122559387 /nfs/dbraw/zinc/55/93/87/1122559387.db2.gz TVMMEXHTWZAZFP-MRXNPFEDSA-N 1 2 328.456 3.787 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccoc2)cc1 ZINC000497471983 1122559391 /nfs/dbraw/zinc/55/93/91/1122559391.db2.gz TVMMEXHTWZAZFP-MRXNPFEDSA-N 1 2 328.456 3.787 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2ccccc2)oc1=O)c1ccccc1 ZINC000917431364 1122607197 /nfs/dbraw/zinc/60/71/97/1122607197.db2.gz DADLIESVKSUWFX-QGZVFWFLSA-N 1 2 337.423 3.838 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000128490668 1122607828 /nfs/dbraw/zinc/60/78/28/1122607828.db2.gz ABYAJVPNRLAZEP-ZDUSSCGKSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000128490668 1122607833 /nfs/dbraw/zinc/60/78/33/1122607833.db2.gz ABYAJVPNRLAZEP-ZDUSSCGKSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(C)CCCCC1 ZINC000128502632 1122611137 /nfs/dbraw/zinc/61/11/37/1122611137.db2.gz RUYPLFOTFPCYOX-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO CO[C@H](C)C(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000917576998 1122642294 /nfs/dbraw/zinc/64/22/94/1122642294.db2.gz OZXYJYASWMVUQP-YGRLFVJLSA-N 1 2 343.210 3.509 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1c(F)cccc1F ZINC000917939652 1122714402 /nfs/dbraw/zinc/71/44/02/1122714402.db2.gz QJPCBKMNKCZSMJ-GMIGGYDBSA-N 1 2 338.442 3.945 20 0 EHADLO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3c(F)cccc3F)cc(=O)oc12 ZINC000917939646 1122714508 /nfs/dbraw/zinc/71/45/08/1122714508.db2.gz QBIOPSBCHHIIBS-NSHDSACASA-N 1 2 345.345 3.936 20 0 EHADLO CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000069511540 1122786420 /nfs/dbraw/zinc/78/64/20/1122786420.db2.gz ZTRYXISMJADTNP-UHFFFAOYSA-N 1 2 332.444 3.608 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 ZINC000444820011 1122813145 /nfs/dbraw/zinc/81/31/45/1122813145.db2.gz TYEVVOFYRKQEEH-ZDUSSCGKSA-N 1 2 328.441 3.516 20 0 EHADLO CC(C)[C@@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC12CC=CC2 ZINC000649139316 1122827099 /nfs/dbraw/zinc/82/70/99/1122827099.db2.gz YWXGUXDFPJMFGZ-IBGZPJMESA-N 1 2 335.451 3.748 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000556151930 1122845830 /nfs/dbraw/zinc/84/58/30/1122845830.db2.gz LPHZAUTURUZGOJ-ZFWWWQNUSA-N 1 2 347.821 3.596 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000918584846 1122858506 /nfs/dbraw/zinc/85/85/06/1122858506.db2.gz MMKSGYJQLLSWAY-AWEZNQCLSA-N 1 2 346.390 3.510 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000498334388 1122869982 /nfs/dbraw/zinc/86/99/82/1122869982.db2.gz ISXPFADJMVUZHU-IAGOWNOFSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1ccccc1C(C)(C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000556234712 1122888171 /nfs/dbraw/zinc/88/81/71/1122888171.db2.gz XSKALENVVFFQMF-IBGZPJMESA-N 1 2 338.430 3.909 20 0 EHADLO Cc1ccccc1C(C)(C)C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000556234712 1122888175 /nfs/dbraw/zinc/88/81/75/1122888175.db2.gz XSKALENVVFFQMF-IBGZPJMESA-N 1 2 338.430 3.909 20 0 EHADLO Cc1cc(F)ccc1Cc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924017807 1122932680 /nfs/dbraw/zinc/93/26/80/1122932680.db2.gz ZACAVIRGJXFPON-INIZCTEOSA-N 1 2 328.391 3.940 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccccn2)c2ccccc2OC)cc1 ZINC000130447844 1122952626 /nfs/dbraw/zinc/95/26/26/1122952626.db2.gz IJNIDAIIVDWBGR-NRFANRHFSA-N 1 2 334.419 3.978 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)Cn2c[nH+]c(Cc3ccccc3)c2)c1C ZINC000919128286 1122983453 /nfs/dbraw/zinc/98/34/53/1122983453.db2.gz VWRYZLHUICLXGQ-UHFFFAOYSA-N 1 2 335.407 3.504 20 0 EHADLO CC(C)N(C(=O)Cn1c[nH+]c(Cc2ccccc2)c1)C1CCCC1 ZINC000919143860 1122986367 /nfs/dbraw/zinc/98/63/67/1122986367.db2.gz NLCXPYQENQNWJX-UHFFFAOYSA-N 1 2 325.456 3.654 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000113951236 1129093932 /nfs/dbraw/zinc/09/39/32/1129093932.db2.gz IXUOIIFOMFNWGL-KUHUBIRLSA-N 1 2 341.455 3.696 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000113951239 1129093954 /nfs/dbraw/zinc/09/39/54/1129093954.db2.gz IXUOIIFOMFNWGL-LIRRHRJNSA-N 1 2 341.455 3.696 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997127 1123029714 /nfs/dbraw/zinc/02/97/14/1123029714.db2.gz QKLPPTZCIAMROD-MJXNMMHHSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997127 1123029719 /nfs/dbraw/zinc/02/97/19/1123029719.db2.gz QKLPPTZCIAMROD-MJXNMMHHSA-N 1 2 344.405 3.630 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1coc(-c2ccccc2)n1 ZINC000078053670 1129096123 /nfs/dbraw/zinc/09/61/23/1129096123.db2.gz JAHRZZHPNSCETQ-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO C[C@@H](CC(=O)N(Cc1ccco1)Cc1cccs1)n1cc[nH+]c1 ZINC000556688674 1123084762 /nfs/dbraw/zinc/08/47/62/1123084762.db2.gz DPLFGMOZQUINBZ-AWEZNQCLSA-N 1 2 329.425 3.718 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000556699809 1123088087 /nfs/dbraw/zinc/08/80/87/1123088087.db2.gz LDQXCQBEKSZYGH-GOEBONIOSA-N 1 2 331.847 3.757 20 0 EHADLO CC(C)[N@H+](Cc1ccc2[nH]cnc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000556799541 1123128986 /nfs/dbraw/zinc/12/89/86/1123128986.db2.gz QMCNEQXJCCEYFZ-UHFFFAOYSA-N 1 2 347.422 3.622 20 0 EHADLO CC(C)[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000556799541 1123128988 /nfs/dbraw/zinc/12/89/88/1123128988.db2.gz QMCNEQXJCCEYFZ-UHFFFAOYSA-N 1 2 347.422 3.622 20 0 EHADLO CC(C)[N@H+](Cc1ccc2nc[nH]c2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000556799541 1123128992 /nfs/dbraw/zinc/12/89/92/1123128992.db2.gz QMCNEQXJCCEYFZ-UHFFFAOYSA-N 1 2 347.422 3.622 20 0 EHADLO CC(C)[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000556799541 1123128993 /nfs/dbraw/zinc/12/89/93/1123128993.db2.gz QMCNEQXJCCEYFZ-UHFFFAOYSA-N 1 2 347.422 3.622 20 0 EHADLO CC(C)CCc1noc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000072632367 1123134257 /nfs/dbraw/zinc/13/42/57/1123134257.db2.gz IZMHHGFTWRUJBD-SFHVURJKSA-N 1 2 343.471 3.530 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000072632367 1123134258 /nfs/dbraw/zinc/13/42/58/1123134258.db2.gz IZMHHGFTWRUJBD-SFHVURJKSA-N 1 2 343.471 3.530 20 0 EHADLO Cc1cc(NC(=O)CCOc2cccc(Br)c2)cc[nH+]1 ZINC000072709992 1123147044 /nfs/dbraw/zinc/14/70/44/1123147044.db2.gz HXBMDQCUKBQJNI-UHFFFAOYSA-N 1 2 335.201 3.560 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000556900634 1123177537 /nfs/dbraw/zinc/17/75/37/1123177537.db2.gz BHVIPCVXDTUINX-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000556900634 1123177539 /nfs/dbraw/zinc/17/75/39/1123177539.db2.gz BHVIPCVXDTUINX-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO CC(C)c1sc(NC(=O)Cn2cc[nH+]c2)nc1-c1ccccc1 ZINC000073029748 1123183403 /nfs/dbraw/zinc/18/34/03/1123183403.db2.gz BSJQFMNAYUOURR-UHFFFAOYSA-N 1 2 326.425 3.769 20 0 EHADLO CCc1ncsc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000132175228 1123206295 /nfs/dbraw/zinc/20/62/95/1123206295.db2.gz HTBLBHNSVRGNHM-INIZCTEOSA-N 1 2 329.469 3.699 20 0 EHADLO CCc1ncsc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000132175228 1123206297 /nfs/dbraw/zinc/20/62/97/1123206297.db2.gz HTBLBHNSVRGNHM-INIZCTEOSA-N 1 2 329.469 3.699 20 0 EHADLO CCSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000132290872 1123216432 /nfs/dbraw/zinc/21/64/32/1123216432.db2.gz FZDSHDVGRKBFKE-UHFFFAOYSA-N 1 2 341.480 3.724 20 0 EHADLO CCC[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000499153283 1123252914 /nfs/dbraw/zinc/25/29/14/1123252914.db2.gz RRKTZJADQJGISD-SFHVURJKSA-N 1 2 338.536 3.600 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2n1C ZINC000074985722 1123353303 /nfs/dbraw/zinc/35/33/03/1123353303.db2.gz XYPQDXSPWNPQDS-UHFFFAOYSA-N 1 2 343.452 3.608 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@]1(C)CC ZINC000133745041 1123428219 /nfs/dbraw/zinc/42/82/19/1123428219.db2.gz HCRYGUUPXPSALS-XLIONFOSSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843061 1123431819 /nfs/dbraw/zinc/43/18/19/1123431819.db2.gz GGEJVBZTKDMIJB-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843061 1123431820 /nfs/dbraw/zinc/43/18/20/1123431820.db2.gz GGEJVBZTKDMIJB-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H](NC(=O)NC(C)(C)/C=C/Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000920876019 1123434908 /nfs/dbraw/zinc/43/49/08/1123434908.db2.gz UTWSBULZJDZCBT-GWJCSSMESA-N 1 2 332.835 3.764 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000076063922 1123460916 /nfs/dbraw/zinc/46/09/16/1123460916.db2.gz DXWRPWLRGKRMGP-SWLSCSKDSA-N 1 2 326.893 3.740 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000076063922 1123460918 /nfs/dbraw/zinc/46/09/18/1123460918.db2.gz DXWRPWLRGKRMGP-SWLSCSKDSA-N 1 2 326.893 3.740 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076466274 1123495196 /nfs/dbraw/zinc/49/51/96/1123495196.db2.gz WHINLVPFESXYNZ-HXUWFJFHSA-N 1 2 331.419 3.623 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)oc1C ZINC000134406178 1123521247 /nfs/dbraw/zinc/52/12/47/1123521247.db2.gz YPYYPJHNJYLJIU-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)oc1C ZINC000134406178 1123521249 /nfs/dbraw/zinc/52/12/49/1123521249.db2.gz YPYYPJHNJYLJIU-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1nc2c(s1)CCC2 ZINC000134726912 1123547756 /nfs/dbraw/zinc/54/77/56/1123547756.db2.gz NWTPYLHXLDQOKL-SNVBAGLBSA-N 1 2 332.860 3.784 20 0 EHADLO Cc1ccc(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)s1 ZINC000347480645 1123558756 /nfs/dbraw/zinc/55/87/56/1123558756.db2.gz FQLGYYVZKSQRDU-UHFFFAOYSA-N 1 2 336.420 3.942 20 0 EHADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000929264718 1129131856 /nfs/dbraw/zinc/13/18/56/1129131856.db2.gz ZFXPWOOUQKNFFE-GFCCVEGCSA-N 1 2 338.274 3.825 20 0 EHADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000929264718 1129131857 /nfs/dbraw/zinc/13/18/57/1129131857.db2.gz ZFXPWOOUQKNFFE-GFCCVEGCSA-N 1 2 338.274 3.825 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cncc(-c2ccccc2)c1 ZINC000135372665 1123606185 /nfs/dbraw/zinc/60/61/85/1123606185.db2.gz MIZVMTIVAKVXIH-UHFFFAOYSA-N 1 2 346.434 3.766 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484702 1123635152 /nfs/dbraw/zinc/63/51/52/1123635152.db2.gz WPVMLCOZPZGTKY-GJZGRUSLSA-N 1 2 335.398 3.956 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484702 1123635154 /nfs/dbraw/zinc/63/51/54/1123635154.db2.gz WPVMLCOZPZGTKY-GJZGRUSLSA-N 1 2 335.398 3.956 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266254 1123644177 /nfs/dbraw/zinc/64/41/77/1123644177.db2.gz HEKOJPMJUDRCIT-FXAWDEMLSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000175266254 1123644180 /nfs/dbraw/zinc/64/41/80/1123644180.db2.gz HEKOJPMJUDRCIT-FXAWDEMLSA-N 1 2 345.446 3.746 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503274 1123698784 /nfs/dbraw/zinc/69/87/84/1123698784.db2.gz JRKFCDFJEQOPIB-WMZOPIPTSA-N 1 2 343.471 3.978 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503274 1123698787 /nfs/dbraw/zinc/69/87/87/1123698787.db2.gz JRKFCDFJEQOPIB-WMZOPIPTSA-N 1 2 343.471 3.978 20 0 EHADLO Cc1ccc(CCCC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000079806302 1123723697 /nfs/dbraw/zinc/72/36/97/1123723697.db2.gz NKCYAOIOYXYAQG-UHFFFAOYSA-N 1 2 331.485 3.783 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000136945392 1123740391 /nfs/dbraw/zinc/74/03/91/1123740391.db2.gz ZPYAAWXOMWXSAL-QGZVFWFLSA-N 1 2 346.862 3.719 20 0 EHADLO COc1ccc(-c2ncc(C(=O)Nc3cc[nH+]c(C)c3)s2)cc1 ZINC000080220928 1123747284 /nfs/dbraw/zinc/74/72/84/1123747284.db2.gz CIUOCQCLVWIOOB-UHFFFAOYSA-N 1 2 325.393 3.774 20 0 EHADLO CC(C)(C)c1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137141409 1123751482 /nfs/dbraw/zinc/75/14/82/1123751482.db2.gz PMCCOFUZLBUNED-UHFFFAOYSA-N 1 2 337.467 3.909 20 0 EHADLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830445 1123868830 /nfs/dbraw/zinc/86/88/30/1123868830.db2.gz IIOKQTOPMMXWNB-ZFWWWQNUSA-N 1 2 338.879 3.562 20 0 EHADLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830445 1123868833 /nfs/dbraw/zinc/86/88/33/1123868833.db2.gz IIOKQTOPMMXWNB-ZFWWWQNUSA-N 1 2 338.879 3.562 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245653496 1123910806 /nfs/dbraw/zinc/91/08/06/1123910806.db2.gz DBFBQBNJPPVJQY-HZMVEIRTSA-N 1 2 332.488 3.917 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690976 1123926430 /nfs/dbraw/zinc/92/64/30/1123926430.db2.gz OVSVNUIPDNGXIO-QZTJIDSGSA-N 1 2 349.425 3.510 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690976 1123926433 /nfs/dbraw/zinc/92/64/33/1123926433.db2.gz OVSVNUIPDNGXIO-QZTJIDSGSA-N 1 2 349.425 3.510 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245879711 1123968301 /nfs/dbraw/zinc/96/83/01/1123968301.db2.gz HZRIDXHJAQBVTA-JHJVBQTASA-N 1 2 339.277 3.754 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245879711 1123968302 /nfs/dbraw/zinc/96/83/02/1123968302.db2.gz HZRIDXHJAQBVTA-JHJVBQTASA-N 1 2 339.277 3.754 20 0 EHADLO CC[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000180286327 1123980208 /nfs/dbraw/zinc/98/02/08/1123980208.db2.gz LALCHCHPHUJANS-CVEARBPZSA-N 1 2 331.504 3.520 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327892 1123983045 /nfs/dbraw/zinc/98/30/45/1123983045.db2.gz DDEPGDMNZCCHJR-RLLQIKCJSA-N 1 2 337.467 3.630 20 0 EHADLO COCCCN(c1ccc(OCC(C)C)cc1)c1[nH+]cccc1N ZINC001212284154 1124016157 /nfs/dbraw/zinc/01/61/57/1124016157.db2.gz ZHSOJYUIGGNAOS-UHFFFAOYSA-N 1 2 329.444 3.873 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)C[C@H](C)[S@@]1=O ZINC000616741636 1124028849 /nfs/dbraw/zinc/02/88/49/1124028849.db2.gz XUVYAPQUVVXIJU-XHNJZIHCSA-N 1 2 342.508 3.796 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C[C@H](C)[S@@]1=O ZINC000616741636 1124028854 /nfs/dbraw/zinc/02/88/54/1124028854.db2.gz XUVYAPQUVVXIJU-XHNJZIHCSA-N 1 2 342.508 3.796 20 0 EHADLO CC(C)Oc1cc(F)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212290253 1124086424 /nfs/dbraw/zinc/08/64/24/1124086424.db2.gz QFLFKITWXNHCGL-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000617350224 1124494743 /nfs/dbraw/zinc/49/47/43/1124494743.db2.gz PNHKTEYRJRGUKA-UHFFFAOYSA-N 1 2 347.418 3.717 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458670 1124665849 /nfs/dbraw/zinc/66/58/49/1124665849.db2.gz QKLPPTZCIAMROD-BKTGTZMESA-N 1 2 344.405 3.630 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458670 1124665851 /nfs/dbraw/zinc/66/58/51/1124665851.db2.gz QKLPPTZCIAMROD-BKTGTZMESA-N 1 2 344.405 3.630 20 0 EHADLO CC(C)c1ccc2c(c1)CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000617608503 1124677045 /nfs/dbraw/zinc/67/70/45/1124677045.db2.gz YYWGYHCBLOGMQG-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C ZINC000249092941 1124735698 /nfs/dbraw/zinc/73/56/98/1124735698.db2.gz OGMCJFZESSEXRR-GXTWGEPZSA-N 1 2 348.443 3.580 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C ZINC000249092941 1124735703 /nfs/dbraw/zinc/73/57/03/1124735703.db2.gz OGMCJFZESSEXRR-GXTWGEPZSA-N 1 2 348.443 3.580 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(F)cc1Cl ZINC000069389687 1124742153 /nfs/dbraw/zinc/74/21/53/1124742153.db2.gz OYRAUNJNHZTFKO-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO Cc1ccc(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000069392585 1124744015 /nfs/dbraw/zinc/74/40/15/1124744015.db2.gz JDCFGDYILVPHPW-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO CCCCCCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734839658 1131284756 /nfs/dbraw/zinc/28/47/56/1131284756.db2.gz GKWSCLVMRRFCGE-GOSISDBHSA-N 1 2 334.529 3.781 20 0 EHADLO CCCCCCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734839658 1131284759 /nfs/dbraw/zinc/28/47/59/1131284759.db2.gz GKWSCLVMRRFCGE-GOSISDBHSA-N 1 2 334.529 3.781 20 0 EHADLO Clc1c2ccccc2sc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000144321010 1124892197 /nfs/dbraw/zinc/89/21/97/1124892197.db2.gz MXBPBKBLPWRBLZ-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C ZINC000251605903 1124928063 /nfs/dbraw/zinc/92/80/63/1124928063.db2.gz FYLSZLYPHNYJDD-JTNHKYCSSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C ZINC000251605903 1124928069 /nfs/dbraw/zinc/92/80/69/1124928069.db2.gz FYLSZLYPHNYJDD-JTNHKYCSSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251918527 1124953831 /nfs/dbraw/zinc/95/38/31/1124953831.db2.gz SGCZZAXGFBYEEB-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251918527 1124953837 /nfs/dbraw/zinc/95/38/37/1124953837.db2.gz SGCZZAXGFBYEEB-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO CCOCC[N@H+](C)CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000093312145 1125221503 /nfs/dbraw/zinc/22/15/03/1125221503.db2.gz BGLPWUJOEIGBIV-UHFFFAOYSA-N 1 2 342.439 3.694 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000093312145 1125221508 /nfs/dbraw/zinc/22/15/08/1125221508.db2.gz BGLPWUJOEIGBIV-UHFFFAOYSA-N 1 2 342.439 3.694 20 0 EHADLO O=C(N[C@@H]1CCSc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263967129 1125240573 /nfs/dbraw/zinc/24/05/73/1125240573.db2.gz UPINOJVYPFPMMH-DZGCQCFKSA-N 1 2 342.468 3.536 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(F)cn1 ZINC000763517117 1125261319 /nfs/dbraw/zinc/26/13/19/1125261319.db2.gz BRWPGUYZMPSKOZ-UHFFFAOYSA-N 1 2 348.784 3.797 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1OC ZINC000093606403 1125274298 /nfs/dbraw/zinc/27/42/98/1125274298.db2.gz RNIPUXFYRVFFHX-AUUYWEPGSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1OC ZINC000093606403 1125274300 /nfs/dbraw/zinc/27/43/00/1125274300.db2.gz RNIPUXFYRVFFHX-AUUYWEPGSA-N 1 2 345.414 3.805 20 0 EHADLO COC(=O)C[N@H+](Cc1cnc(-c2ccsc2)s1)C1CCCC1 ZINC000093707445 1125292639 /nfs/dbraw/zinc/29/26/39/1125292639.db2.gz APHVTOICPAPSQK-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO COC(=O)C[N@@H+](Cc1cnc(-c2ccsc2)s1)C1CCCC1 ZINC000093707445 1125292642 /nfs/dbraw/zinc/29/26/42/1125292642.db2.gz APHVTOICPAPSQK-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000619215909 1125319332 /nfs/dbraw/zinc/31/93/32/1125319332.db2.gz UANFNODTXYTSEO-NHCUHLMSSA-N 1 2 345.446 3.536 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000619682243 1125381701 /nfs/dbraw/zinc/38/17/01/1125381701.db2.gz NCEBPIRRBTWQJK-RBUKOAKNSA-N 1 2 340.471 3.689 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(C)on2)cc1OCc1ccccc1 ZINC000066875529 1129218682 /nfs/dbraw/zinc/21/86/82/1129218682.db2.gz CVIZSJNDAWUJFB-UHFFFAOYSA-N 1 2 338.407 3.860 20 0 EHADLO CCCCOc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000079550349 1129274784 /nfs/dbraw/zinc/27/47/84/1129274784.db2.gz LZQZVLPBEVVOSJ-UHFFFAOYSA-N 1 2 330.432 3.664 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(C)(C)C1 ZINC000543190234 1129326023 /nfs/dbraw/zinc/32/60/23/1129326023.db2.gz LNOOTINPCUZDPJ-INIZCTEOSA-N 1 2 344.503 3.650 20 0 EHADLO Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000358215277 1129370595 /nfs/dbraw/zinc/37/05/95/1129370595.db2.gz DZPAJGUZGIHASQ-AWEZNQCLSA-N 1 2 348.903 3.985 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCCCCNc3cccc[nH+]3)cc2c1C ZINC000116752432 1129388254 /nfs/dbraw/zinc/38/82/54/1129388254.db2.gz YGTHLIHEQLOLBU-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO C[C@H]1SCC[N@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@H]1C ZINC000735666832 1131371073 /nfs/dbraw/zinc/37/10/73/1131371073.db2.gz GCBBIJOYIYTQNK-LSDHHAIUSA-N 1 2 333.526 3.851 20 0 EHADLO C[C@H]1SCC[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@H]1C ZINC000735666832 1131371080 /nfs/dbraw/zinc/37/10/80/1131371080.db2.gz GCBBIJOYIYTQNK-LSDHHAIUSA-N 1 2 333.526 3.851 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000081317119 1129412906 /nfs/dbraw/zinc/41/29/06/1129412906.db2.gz YXSJKNNITAUXRG-ZBFHGGJFSA-N 1 2 339.464 3.685 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000081325060 1129414339 /nfs/dbraw/zinc/41/43/39/1129414339.db2.gz SMNULGQBMSDDEG-QGZVFWFLSA-N 1 2 339.464 3.514 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccccc1OC)c1ccccc1 ZINC000499752401 1129456688 /nfs/dbraw/zinc/45/66/88/1129456688.db2.gz OEQLGZJKOHIEAP-UZLBHIALSA-N 1 2 340.467 3.956 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000117649016 1129457616 /nfs/dbraw/zinc/45/76/16/1129457616.db2.gz OAOFGZDQBAOFKT-UHFFFAOYSA-N 1 2 347.462 3.817 20 0 EHADLO CN(C)C(=O)c1cccc(CNc2[nH+]c3ccccc3n2C2CC2)c1 ZINC000922328440 1129470172 /nfs/dbraw/zinc/47/01/72/1129470172.db2.gz DCRSCMCKQFDESA-UHFFFAOYSA-N 1 2 334.423 3.685 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000118052129 1129485271 /nfs/dbraw/zinc/48/52/71/1129485271.db2.gz GGZZBVMHYMRYSY-MJGOQNOKSA-N 1 2 340.471 3.907 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000118421057 1129508165 /nfs/dbraw/zinc/50/81/65/1129508165.db2.gz QEASPOVTQXASQM-RDTXWAMCSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000118421057 1129508169 /nfs/dbraw/zinc/50/81/69/1129508169.db2.gz QEASPOVTQXASQM-RDTXWAMCSA-N 1 2 346.521 3.543 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3ccco3)o2)s1 ZINC000172985553 1129511689 /nfs/dbraw/zinc/51/16/89/1129511689.db2.gz OPDVBFIWLXSWNB-NSHDSACASA-N 1 2 332.429 3.850 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3ccco3)o2)s1 ZINC000172985553 1129511693 /nfs/dbraw/zinc/51/16/93/1129511693.db2.gz OPDVBFIWLXSWNB-NSHDSACASA-N 1 2 332.429 3.850 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3cc(N(C)C)ccn3)s2)cc1 ZINC000922477925 1129547146 /nfs/dbraw/zinc/54/71/46/1129547146.db2.gz GAUKTIYCKVCAFT-UHFFFAOYSA-N 1 2 338.480 3.869 20 0 EHADLO CC(C)CC1(C)CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673559637 1129548851 /nfs/dbraw/zinc/54/88/51/1129548851.db2.gz SUJCORJWTMIRBI-KRWDZBQOSA-N 1 2 344.503 3.518 20 0 EHADLO Nc1[nH+]cccc1COC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000922524202 1129562044 /nfs/dbraw/zinc/56/20/44/1129562044.db2.gz IXWXMIJUNSCPSS-UHFFFAOYSA-N 1 2 337.206 3.746 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000922544768 1129569948 /nfs/dbraw/zinc/56/99/48/1129569948.db2.gz SXEWYWHWRDSOFL-NSHDSACASA-N 1 2 349.228 3.663 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC(F)F ZINC000922583232 1129582854 /nfs/dbraw/zinc/58/28/54/1129582854.db2.gz RTKCGRCRDMAUDL-MRXNPFEDSA-N 1 2 349.381 3.718 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)cs1 ZINC000922672262 1129622936 /nfs/dbraw/zinc/62/29/36/1129622936.db2.gz PALOUYBFCMYUJA-ZDUSSCGKSA-N 1 2 347.484 3.684 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)CC(F)(F)F ZINC000428967531 1129649402 /nfs/dbraw/zinc/64/94/02/1129649402.db2.gz MSXFJLQJLXLDPV-ZDUSSCGKSA-N 1 2 348.413 3.598 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000428973996 1129650802 /nfs/dbraw/zinc/65/08/02/1129650802.db2.gz ZAXZRLPTRNCUJP-UHFFFAOYSA-N 1 2 346.519 3.966 20 0 EHADLO COc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1OCc1cccnc1 ZINC000673618520 1129667661 /nfs/dbraw/zinc/66/76/61/1129667661.db2.gz MOAFMLODFYMGPW-SFHVURJKSA-N 1 2 348.393 3.947 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509038975 1129687773 /nfs/dbraw/zinc/68/77/73/1129687773.db2.gz PJVVTXCRSPECBH-JKSUJKDBSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509038975 1129687775 /nfs/dbraw/zinc/68/77/75/1129687775.db2.gz PJVVTXCRSPECBH-JKSUJKDBSA-N 1 2 325.456 3.514 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C(F)F)nc1 ZINC000657919049 1129776941 /nfs/dbraw/zinc/77/69/41/1129776941.db2.gz XDZQLKBBGJFUCF-YMTOWFKASA-N 1 2 328.309 3.682 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000673725617 1129811311 /nfs/dbraw/zinc/81/13/11/1129811311.db2.gz VUBHFZZGRQUPKC-IAGOWNOFSA-N 1 2 325.456 3.540 20 0 EHADLO Cc1cc(NNC(=S)Nc2ccc(Cl)cc2Cl)nc(C)[nH+]1 ZINC000735989812 1131399204 /nfs/dbraw/zinc/39/92/04/1131399204.db2.gz RGECKARSPCCPTI-UHFFFAOYSA-N 1 2 342.255 3.714 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000673794972 1129847915 /nfs/dbraw/zinc/84/79/15/1129847915.db2.gz RKGKIQFUFFQADW-UHFFFAOYSA-N 1 2 341.798 3.759 20 0 EHADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347814501 1129865727 /nfs/dbraw/zinc/86/57/27/1129865727.db2.gz LJLCJIYBMKYYKW-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347814501 1129865732 /nfs/dbraw/zinc/86/57/32/1129865732.db2.gz LJLCJIYBMKYYKW-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO OCCNc1[nH+]c2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000057839904 1129916653 /nfs/dbraw/zinc/91/66/53/1129916653.db2.gz YFLMXBAFLGTOHF-UHFFFAOYSA-N 1 2 345.830 3.563 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009641 1129956626 /nfs/dbraw/zinc/95/66/26/1129956626.db2.gz LKNFNBWFLWYBFD-MGPUTAFESA-N 1 2 338.426 3.940 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009641 1129956627 /nfs/dbraw/zinc/95/66/27/1129956627.db2.gz LKNFNBWFLWYBFD-MGPUTAFESA-N 1 2 338.426 3.940 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013527 1129959626 /nfs/dbraw/zinc/95/96/26/1129959626.db2.gz OMSYMAQPQVBBSU-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013527 1129959628 /nfs/dbraw/zinc/95/96/28/1129959628.db2.gz OMSYMAQPQVBBSU-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccnc(OC)c3)n2)cc1 ZINC000543549500 1129960284 /nfs/dbraw/zinc/96/02/84/1129960284.db2.gz RWHGJUGGIMFKJC-CYBMUJFWSA-N 1 2 338.411 3.553 20 0 EHADLO C[N@H+](C/C=C/c1ccc(F)c(F)c1)Cc1nc(-c2cccnc2)no1 ZINC000347875601 1129960495 /nfs/dbraw/zinc/96/04/95/1129960495.db2.gz WKLLALKMRMIJGY-ONEGZZNKSA-N 1 2 342.349 3.555 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1nc(-c2cccnc2)no1 ZINC000347875601 1129960497 /nfs/dbraw/zinc/96/04/97/1129960497.db2.gz WKLLALKMRMIJGY-ONEGZZNKSA-N 1 2 342.349 3.555 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674048006 1129983168 /nfs/dbraw/zinc/98/31/68/1129983168.db2.gz WEWVKPZWCQPTGG-FOIQADDNSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674048006 1129983171 /nfs/dbraw/zinc/98/31/71/1129983171.db2.gz WEWVKPZWCQPTGG-FOIQADDNSA-N 1 2 338.426 3.546 20 0 EHADLO COCc1noc(C[N@@H+](Cc2ccc(F)c(Cl)c2)CC(C)C)n1 ZINC000625720424 1129989966 /nfs/dbraw/zinc/98/99/66/1129989966.db2.gz YZVXTCBISAWINV-UHFFFAOYSA-N 1 2 341.814 3.667 20 0 EHADLO COCc1noc(C[N@H+](Cc2ccc(F)c(Cl)c2)CC(C)C)n1 ZINC000625720424 1129989968 /nfs/dbraw/zinc/98/99/68/1129989968.db2.gz YZVXTCBISAWINV-UHFFFAOYSA-N 1 2 341.814 3.667 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362058 1130074973 /nfs/dbraw/zinc/07/49/73/1130074973.db2.gz ZKKPGOWZBNJXPU-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362058 1130074976 /nfs/dbraw/zinc/07/49/76/1130074976.db2.gz ZKKPGOWZBNJXPU-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000172080481 1130104370 /nfs/dbraw/zinc/10/43/70/1130104370.db2.gz OVIZVAMYUZXXBA-SFHVURJKSA-N 1 2 332.394 3.664 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674792208 1130195485 /nfs/dbraw/zinc/19/54/85/1130195485.db2.gz PIFQXJQIIDEBHP-GDBMZVCRSA-N 1 2 347.459 3.614 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)nc1 ZINC000674866897 1130212791 /nfs/dbraw/zinc/21/27/91/1130212791.db2.gz XRLGHMWZKAMSTJ-IBGZPJMESA-N 1 2 336.439 3.704 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)nc1 ZINC000674866897 1130212794 /nfs/dbraw/zinc/21/27/94/1130212794.db2.gz XRLGHMWZKAMSTJ-IBGZPJMESA-N 1 2 336.439 3.704 20 0 EHADLO Fc1ccc(-c2cnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)cc1 ZINC000675024421 1130243144 /nfs/dbraw/zinc/24/31/44/1130243144.db2.gz XLSDATSEVDWQHL-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO CC[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC001128940356 1130243663 /nfs/dbraw/zinc/24/36/63/1130243663.db2.gz VZTMETAXDXYLIJ-AEFFLSMTSA-N 1 2 340.423 3.749 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)c(C)cc3F)CC2)c1 ZINC000675132362 1130263865 /nfs/dbraw/zinc/26/38/65/1130263865.db2.gz WJBWJVYTOFQFLY-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCc1cccc(-c2ccccc2)c1 ZINC000675479565 1130403574 /nfs/dbraw/zinc/40/35/74/1130403574.db2.gz JYROTOFEBOQUNV-UHFFFAOYSA-N 1 2 333.435 3.689 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000675610116 1130435596 /nfs/dbraw/zinc/43/55/96/1130435596.db2.gz DQNNAQABNVRJOX-ZIAGYGMSSA-N 1 2 338.411 3.942 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675783640 1130478645 /nfs/dbraw/zinc/47/86/45/1130478645.db2.gz NYKTXNFIVOZGEQ-ZDUSSCGKSA-N 1 2 327.409 3.682 20 0 EHADLO COc1cncc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000675899287 1130499265 /nfs/dbraw/zinc/49/92/65/1130499265.db2.gz OMDMRCWDKPWILS-QWRGUYRKSA-N 1 2 342.283 3.653 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(cccc2Cl)s1 ZINC000676065209 1130525163 /nfs/dbraw/zinc/52/51/63/1130525163.db2.gz ABLUTPPTNSEOGZ-UHFFFAOYSA-N 1 2 333.844 3.914 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000676064093 1130525239 /nfs/dbraw/zinc/52/52/39/1130525239.db2.gz CPSNSQAXYAXWCI-LJQANCHMSA-N 1 2 325.456 3.677 20 0 EHADLO CCc1ccccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676276448 1130556458 /nfs/dbraw/zinc/55/64/58/1130556458.db2.gz JHJXMTMIYCBDPT-LJQANCHMSA-N 1 2 333.435 3.696 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000676305068 1130559633 /nfs/dbraw/zinc/55/96/33/1130559633.db2.gz IWIHFENDUYOGFX-ABHNRTSZSA-N 1 2 332.492 3.692 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727844302 1130601355 /nfs/dbraw/zinc/60/13/55/1130601355.db2.gz ZJHYGKBOTLRJDH-QGZVFWFLSA-N 1 2 341.455 3.528 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727940764 1130612464 /nfs/dbraw/zinc/61/24/64/1130612464.db2.gz OBKQHRGLMIOPBT-DZGCQCFKSA-N 1 2 346.862 3.583 20 0 EHADLO CCCCCCOCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000730751766 1130731595 /nfs/dbraw/zinc/73/15/95/1130731595.db2.gz BANQPBUPTRKWPF-QGZVFWFLSA-N 1 2 348.487 3.615 20 0 EHADLO CNc1ccc(Nc2c3ccc(C)nc3sc2C(=O)OC)c[nH+]1 ZINC001203449105 1130751389 /nfs/dbraw/zinc/75/13/89/1130751389.db2.gz ABHRPFCZVKFTRC-UHFFFAOYSA-N 1 2 328.397 3.572 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(Br)cc1F ZINC000731029247 1130759576 /nfs/dbraw/zinc/75/95/76/1130759576.db2.gz PUSABNVUVHHZHL-UHFFFAOYSA-N 1 2 343.221 3.891 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731003652 1130759945 /nfs/dbraw/zinc/75/99/45/1130759945.db2.gz LSHDANSEBDCEBA-PKOBYXMFSA-N 1 2 339.483 3.924 20 0 EHADLO Cc1ccc(COc2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000732014591 1130875263 /nfs/dbraw/zinc/87/52/63/1130875263.db2.gz IZHQEMPSHCJBTD-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(SC)o2)n1 ZINC000732758290 1130954468 /nfs/dbraw/zinc/95/44/68/1130954468.db2.gz RUGQMNJQMOGIIA-UHFFFAOYSA-N 1 2 325.459 3.552 20 0 EHADLO Clc1ccc(Oc2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2)nn1 ZINC000733302810 1131019402 /nfs/dbraw/zinc/01/94/02/1131019402.db2.gz RDDOUXINVIVLFP-UHFFFAOYSA-N 1 2 338.758 3.937 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)o1 ZINC000733309181 1131021056 /nfs/dbraw/zinc/02/10/56/1131021056.db2.gz DMZDWWMOHLTOJO-UHFFFAOYSA-N 1 2 345.418 3.788 20 0 EHADLO c1cn(CCc2nc(C(c3ccccc3)c3ccccc3)no2)c[nH+]1 ZINC000733734529 1131072379 /nfs/dbraw/zinc/07/23/79/1131072379.db2.gz YOAYFPGXZXFADQ-UHFFFAOYSA-N 1 2 330.391 3.689 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000282614341 1131113205 /nfs/dbraw/zinc/11/32/05/1131113205.db2.gz ZGLDAWRYBMAHAS-LLVKDONJSA-N 1 2 326.366 3.903 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000348053052 1131129665 /nfs/dbraw/zinc/12/96/65/1131129665.db2.gz HMIMXPMCJNSYRC-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000348053052 1131129670 /nfs/dbraw/zinc/12/96/70/1131129670.db2.gz HMIMXPMCJNSYRC-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc2n1CCCCC2 ZINC000733992549 1131180833 /nfs/dbraw/zinc/18/08/33/1131180833.db2.gz SFQUMIFIFQHGMD-SFHVURJKSA-N 1 2 332.517 3.920 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)nc2n1CCCCC2 ZINC000733992549 1131180837 /nfs/dbraw/zinc/18/08/37/1131180837.db2.gz SFQUMIFIFQHGMD-SFHVURJKSA-N 1 2 332.517 3.920 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052657 1131461282 /nfs/dbraw/zinc/46/12/82/1131461282.db2.gz DOOIUIFOXVFPOC-XJKSGUPXSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052657 1131461285 /nfs/dbraw/zinc/46/12/85/1131461285.db2.gz DOOIUIFOXVFPOC-XJKSGUPXSA-N 1 2 333.407 3.501 20 0 EHADLO CC[N@H+](Cn1nc(COc2ccc(OC)cc2)oc1=S)C1CCC1 ZINC000738056668 1131462394 /nfs/dbraw/zinc/46/23/94/1131462394.db2.gz PUDIUJYFZJNJQY-UHFFFAOYSA-N 1 2 349.456 3.625 20 0 EHADLO CC[N@@H+](Cn1nc(COc2ccc(OC)cc2)oc1=S)C1CCC1 ZINC000738056668 1131462399 /nfs/dbraw/zinc/46/23/99/1131462399.db2.gz PUDIUJYFZJNJQY-UHFFFAOYSA-N 1 2 349.456 3.625 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCO[C@H](C)C3)c2=S)cc1C ZINC000738156599 1131462908 /nfs/dbraw/zinc/46/29/08/1131462908.db2.gz DICMJHOGRPVJKU-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCO[C@H](C)C3)c2=S)cc1C ZINC000738156599 1131462910 /nfs/dbraw/zinc/46/29/10/1131462910.db2.gz DICMJHOGRPVJKU-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(Cl)nc2)cn1 ZINC000738876945 1131489958 /nfs/dbraw/zinc/48/99/58/1131489958.db2.gz LWFASSQFNVKGEP-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(Cl)nc2)cn1 ZINC000738876945 1131489959 /nfs/dbraw/zinc/48/99/59/1131489959.db2.gz LWFASSQFNVKGEP-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738989348 1131492513 /nfs/dbraw/zinc/49/25/13/1131492513.db2.gz AIAQGKGTNMTFAR-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000739887638 1131512595 /nfs/dbraw/zinc/51/25/95/1131512595.db2.gz ILOUHGXJNRUIHS-GDBMZVCRSA-N 1 2 345.512 3.860 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000739887638 1131512597 /nfs/dbraw/zinc/51/25/97/1131512597.db2.gz ILOUHGXJNRUIHS-GDBMZVCRSA-N 1 2 345.512 3.860 20 0 EHADLO Clc1ccc(CCC[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000740876413 1131551958 /nfs/dbraw/zinc/55/19/58/1131551958.db2.gz TWRDQCXCBRSLJD-MRXNPFEDSA-N 1 2 347.846 3.607 20 0 EHADLO Clc1ccc(CCC[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000740876413 1131551962 /nfs/dbraw/zinc/55/19/62/1131551962.db2.gz TWRDQCXCBRSLJD-MRXNPFEDSA-N 1 2 347.846 3.607 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000740909317 1131555083 /nfs/dbraw/zinc/55/50/83/1131555083.db2.gz CQYCETFEFZSNJO-RDJZCZTQSA-N 1 2 326.444 3.640 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+]C(C)(C)c2ccc3ccccc3c2)n1 ZINC000626116134 1131588814 /nfs/dbraw/zinc/58/88/14/1131588814.db2.gz RIEFBMJFIVZQFC-CYBMUJFWSA-N 1 2 325.412 3.955 20 0 EHADLO CC(C)CCc1noc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000741753845 1131643700 /nfs/dbraw/zinc/64/37/00/1131643700.db2.gz RWRPIYQXDMFETH-UHFFFAOYSA-N 1 2 336.823 3.553 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000741775259 1131645038 /nfs/dbraw/zinc/64/50/38/1131645038.db2.gz IUNSSBBKMSCMOH-HNNXBMFYSA-N 1 2 326.440 3.989 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000741775259 1131645041 /nfs/dbraw/zinc/64/50/41/1131645041.db2.gz IUNSSBBKMSCMOH-HNNXBMFYSA-N 1 2 326.440 3.989 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000741911814 1131666777 /nfs/dbraw/zinc/66/67/77/1131666777.db2.gz KNCJJECCEPUWOG-CQSZACIVSA-N 1 2 339.826 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(-c3ccccc3)n2C)c1C ZINC000741914563 1131667255 /nfs/dbraw/zinc/66/72/55/1131667255.db2.gz JFNJZUQMZBKKTH-UHFFFAOYSA-N 1 2 349.434 3.643 20 0 EHADLO Cn1c(C(=O)Nc2cccc3[nH+]ccn32)ccc1-c1ccc(F)cc1 ZINC000741970089 1131677747 /nfs/dbraw/zinc/67/77/47/1131677747.db2.gz UCKJLBLUDFVVFJ-UHFFFAOYSA-N 1 2 334.354 3.731 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)cc2C)n1 ZINC000742052530 1131683847 /nfs/dbraw/zinc/68/38/47/1131683847.db2.gz PFZPLXHDXUCCJM-UHFFFAOYSA-N 1 2 333.457 3.554 20 0 EHADLO CCc1nn(C)cc1C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000180330320 1131696180 /nfs/dbraw/zinc/69/61/80/1131696180.db2.gz HBBQLEQNRNZMJU-KRWDZBQOSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1nn(C)cc1C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000180330320 1131696182 /nfs/dbraw/zinc/69/61/82/1131696182.db2.gz HBBQLEQNRNZMJU-KRWDZBQOSA-N 1 2 335.904 3.926 20 0 EHADLO CCC1(O)CC[NH+](Cn2ccn(-c3cc(C)cc(C)c3)c2=S)CC1 ZINC000742175795 1131697585 /nfs/dbraw/zinc/69/75/85/1131697585.db2.gz OBRSPFJXHLYGHO-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCOC(C)C ZINC001172442837 1131743579 /nfs/dbraw/zinc/74/35/79/1131743579.db2.gz VKSLBNFKNXROSC-RHSMWYFYSA-N 1 2 341.879 3.607 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)[C@@H]2C ZINC001172558271 1131769960 /nfs/dbraw/zinc/76/99/60/1131769960.db2.gz IERCNAQMRDJOMD-KBAYOESNSA-N 1 2 325.456 3.742 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)[C@@H]2C ZINC001172558271 1131769964 /nfs/dbraw/zinc/76/99/64/1131769964.db2.gz IERCNAQMRDJOMD-KBAYOESNSA-N 1 2 325.456 3.742 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561398 1131771941 /nfs/dbraw/zinc/77/19/41/1131771941.db2.gz WEOVALKMMQGCKU-YZGWKJHDSA-N 1 2 341.426 3.836 20 0 EHADLO Cc1cccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1Br ZINC001212670435 1131780270 /nfs/dbraw/zinc/78/02/70/1131780270.db2.gz XIHBBQLPGUBDLQ-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000743347603 1131905707 /nfs/dbraw/zinc/90/57/07/1131905707.db2.gz DBNOGSMTLSGLDE-QRWLVFNGSA-N 1 2 338.426 3.967 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000743347603 1131905714 /nfs/dbraw/zinc/90/57/14/1131905714.db2.gz DBNOGSMTLSGLDE-QRWLVFNGSA-N 1 2 338.426 3.967 20 0 EHADLO Brc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001212693287 1131907135 /nfs/dbraw/zinc/90/71/35/1131907135.db2.gz NIDRBQDLKPQHTF-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000743349902 1131908087 /nfs/dbraw/zinc/90/80/87/1131908087.db2.gz LLVHFNXNKPDFBR-CQSZACIVSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000743349902 1131908093 /nfs/dbraw/zinc/90/80/93/1131908093.db2.gz LLVHFNXNKPDFBR-CQSZACIVSA-N 1 2 328.378 3.743 20 0 EHADLO CC1CCN(c2nn(C[N@@H+]3CCC(C)(C)C3)c(=S)n2C2CC2)CC1 ZINC000743389684 1131908715 /nfs/dbraw/zinc/90/87/15/1131908715.db2.gz AQGOEQILBBDNDA-UHFFFAOYSA-N 1 2 349.548 3.675 20 0 EHADLO CC1CCN(c2nn(C[N@H+]3CCC(C)(C)C3)c(=S)n2C2CC2)CC1 ZINC000743389684 1131908720 /nfs/dbraw/zinc/90/87/20/1131908720.db2.gz AQGOEQILBBDNDA-UHFFFAOYSA-N 1 2 349.548 3.675 20 0 EHADLO Cc1nn(C[N@@H+]2CCC3(CCCC3)C2)c(=S)n1-c1ccccc1 ZINC000743391058 1131909378 /nfs/dbraw/zinc/90/93/78/1131909378.db2.gz VMIDVAQEWCGQTJ-UHFFFAOYSA-N 1 2 328.485 3.935 20 0 EHADLO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c(=S)n1-c1ccccc1 ZINC000743391058 1131909384 /nfs/dbraw/zinc/90/93/84/1131909384.db2.gz VMIDVAQEWCGQTJ-UHFFFAOYSA-N 1 2 328.485 3.935 20 0 EHADLO CC(C)c1cc2ncc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn2n1 ZINC001212694987 1131924661 /nfs/dbraw/zinc/92/46/61/1131924661.db2.gz HPVIVDFQZALGQN-UHFFFAOYSA-N 1 2 332.411 3.841 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc4nc(C5CC5)nn4c3)cc2)c[nH+]1 ZINC001212695841 1131929636 /nfs/dbraw/zinc/92/96/36/1131929636.db2.gz VKRCYWZOTXWSSM-UHFFFAOYSA-N 1 2 330.395 3.595 20 0 EHADLO Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699952 1131934033 /nfs/dbraw/zinc/93/40/33/1131934033.db2.gz LOIVXDPWDWHNNW-UHFFFAOYSA-N 1 2 346.434 3.876 20 0 EHADLO CN1Cc2c(Nc3ccc(Cn4cc[nH+]c4)cc3)cccc2NC1=O ZINC001212699826 1131934563 /nfs/dbraw/zinc/93/45/63/1131934563.db2.gz GKPYOOYELQKAKK-UHFFFAOYSA-N 1 2 333.395 3.652 20 0 EHADLO CN1Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2NC1=O ZINC001212699779 1131935002 /nfs/dbraw/zinc/93/50/02/1131935002.db2.gz CQWCMHJZOLONAI-UHFFFAOYSA-N 1 2 333.395 3.652 20 0 EHADLO COC(=O)c1nc2c(cccc2Nc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC001212700023 1131935743 /nfs/dbraw/zinc/93/57/43/1131935743.db2.gz POUTWMXSZWRYMT-UHFFFAOYSA-N 1 2 348.362 3.603 20 0 EHADLO CCOC(=O)c1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697632 1131937300 /nfs/dbraw/zinc/93/73/00/1131937300.db2.gz KODYQXGSAUROHL-UHFFFAOYSA-N 1 2 339.370 3.991 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181021140 1131940909 /nfs/dbraw/zinc/94/09/09/1131940909.db2.gz VCUDSBZWSBMUGJ-PZDALLCQSA-N 1 2 336.842 3.607 20 0 EHADLO Fc1c(Cl)nccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212702472 1131962218 /nfs/dbraw/zinc/96/22/18/1131962218.db2.gz ZQOLBTVGMHLDTK-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](O)c2ccccc2C)cs1 ZINC000743856499 1131988501 /nfs/dbraw/zinc/98/85/01/1131988501.db2.gz DDCHIYGVVWTHKQ-YOEHRIQHSA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](O)c2ccccc2C)cs1 ZINC000743856499 1131988509 /nfs/dbraw/zinc/98/85/09/1131988509.db2.gz DDCHIYGVVWTHKQ-YOEHRIQHSA-N 1 2 334.485 3.714 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(F)c3)o2)cc1C ZINC000743846398 1131991601 /nfs/dbraw/zinc/99/16/01/1131991601.db2.gz MCTSZNWBMUVWIH-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(F)c3)o2)cc1C ZINC000743846398 1131991606 /nfs/dbraw/zinc/99/16/06/1131991606.db2.gz MCTSZNWBMUVWIH-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@@H+]2CCn3c(COC)cnc3[C@@H]2C)cc1 ZINC001173241342 1132028340 /nfs/dbraw/zinc/02/83/40/1132028340.db2.gz VNUYMCTYZHZJRU-CVEARBPZSA-N 1 2 327.472 3.600 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@H+]2CCn3c(COC)cnc3[C@@H]2C)cc1 ZINC001173241342 1132028350 /nfs/dbraw/zinc/02/83/50/1132028350.db2.gz VNUYMCTYZHZJRU-CVEARBPZSA-N 1 2 327.472 3.600 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348728 1132058625 /nfs/dbraw/zinc/05/86/25/1132058625.db2.gz LDEIHWJFVUWFOI-INIZCTEOSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173348728 1132058630 /nfs/dbraw/zinc/05/86/30/1132058630.db2.gz LDEIHWJFVUWFOI-INIZCTEOSA-N 1 2 345.487 3.769 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2Cc1ccccc1F ZINC001203346290 1132074732 /nfs/dbraw/zinc/07/47/32/1132074732.db2.gz KHNPZTWNFKOPIZ-UHFFFAOYSA-N 1 2 334.435 3.801 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2Cc1ccccc1F ZINC001203346290 1132074739 /nfs/dbraw/zinc/07/47/39/1132074739.db2.gz KHNPZTWNFKOPIZ-UHFFFAOYSA-N 1 2 334.435 3.801 20 0 EHADLO Fc1cnc(Cl)c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001212733610 1132075637 /nfs/dbraw/zinc/07/56/37/1132075637.db2.gz DJWANUPPLOBWOY-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)CCc2ccc(Cl)c(Cl)c2)CCC1 ZINC001173543882 1132088398 /nfs/dbraw/zinc/08/83/98/1132088398.db2.gz NYYNSVLGJQDZAM-LLVKDONJSA-N 1 2 330.255 4.000 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC[C@H](CC(C)C)C3)c(=O)c2c(C)c1C ZINC000744437880 1132099822 /nfs/dbraw/zinc/09/98/22/1132099822.db2.gz ZSOYLFOEEHOUAD-OAHLLOKOSA-N 1 2 333.501 3.709 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC[C@H](CC(C)C)C3)c(=O)c2c(C)c1C ZINC000744437880 1132099830 /nfs/dbraw/zinc/09/98/30/1132099830.db2.gz ZSOYLFOEEHOUAD-OAHLLOKOSA-N 1 2 333.501 3.709 20 0 EHADLO CCC1CCC(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000065388463 1132118696 /nfs/dbraw/zinc/11/86/96/1132118696.db2.gz BRWOCLMUFMQDOJ-UHFFFAOYSA-N 1 2 333.476 3.723 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc3c(c2)OCCO3)cc[nH+]1 ZINC001173875591 1132156024 /nfs/dbraw/zinc/15/60/24/1132156024.db2.gz QGEYYSHUFZWQEU-UHFFFAOYSA-N 1 2 343.383 3.943 20 0 EHADLO CCOc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC001173853211 1132156057 /nfs/dbraw/zinc/15/60/57/1132156057.db2.gz YLBPUXOTZQLBDO-GASCZTMLSA-N 1 2 327.428 3.838 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3ccc4c(c3)OCCO4)cn12 ZINC001173876500 1132177313 /nfs/dbraw/zinc/17/73/13/1132177313.db2.gz XKXRIGPRSFVNPW-UHFFFAOYSA-N 1 2 346.184 3.612 20 0 EHADLO Cc1nc(Nc2ccc3[nH]ccc3c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001173937263 1132188843 /nfs/dbraw/zinc/18/88/43/1132188843.db2.gz PAVBEDYGRSVMIT-CHWSQXEVSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc3[nH]ccc3c2)[nH+]1 ZINC001173937263 1132188847 /nfs/dbraw/zinc/18/88/47/1132188847.db2.gz PAVBEDYGRSVMIT-CHWSQXEVSA-N 1 2 337.427 3.624 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccccc3COC)c2c1 ZINC001174104341 1132229402 /nfs/dbraw/zinc/22/94/02/1132229402.db2.gz KIXFYSABUFFUFO-UHFFFAOYSA-N 1 2 336.391 3.723 20 0 EHADLO CN(C)c1ccc(Nc2ccc(C(=O)NC3CCCCC3)cc2)c[nH+]1 ZINC001174080589 1132239382 /nfs/dbraw/zinc/23/93/82/1132239382.db2.gz AFMKXDCUIUEVHP-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C(=O)NC2CCCC2)c1 ZINC001174196730 1132279880 /nfs/dbraw/zinc/27/98/80/1132279880.db2.gz CHQRRMMCUVGCJL-UHFFFAOYSA-N 1 2 334.423 3.589 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cccnc3N3CCOCC3)ccc21 ZINC001174380379 1132343171 /nfs/dbraw/zinc/34/31/71/1132343171.db2.gz DGIXTHXQAUKSAC-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO COC(=O)Cc1ccc(O)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174381532 1132343340 /nfs/dbraw/zinc/34/33/40/1132343340.db2.gz MULFPEGTLLITHC-UHFFFAOYSA-N 1 2 339.395 3.782 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1F)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746033334 1132351463 /nfs/dbraw/zinc/35/14/63/1132351463.db2.gz OPXALRVSFBEUTN-IBGZPJMESA-N 1 2 326.415 3.967 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1F)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746033334 1132351472 /nfs/dbraw/zinc/35/14/72/1132351472.db2.gz OPXALRVSFBEUTN-IBGZPJMESA-N 1 2 326.415 3.967 20 0 EHADLO Oc1c(Cl)cccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432456 1132352448 /nfs/dbraw/zinc/35/24/48/1132352448.db2.gz TYHFYWQFIGAPDR-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO Cc1cc(F)c(F)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432505 1132354465 /nfs/dbraw/zinc/35/44/65/1132354465.db2.gz UKXLRXBKJYLCCD-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO CCOc1cc(Nc2cnn(Cc3ccc(OC)cc3)c2)cc(C)[nH+]1 ZINC001174436504 1132355462 /nfs/dbraw/zinc/35/54/62/1132355462.db2.gz YANUXONOWTXEDJ-UHFFFAOYSA-N 1 2 338.411 3.786 20 0 EHADLO Cn1c2ccccc2[nH+]c1NC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001174441028 1132358463 /nfs/dbraw/zinc/35/84/63/1132358463.db2.gz CQDKLXKWBGFVLH-UHFFFAOYSA-N 1 2 328.416 3.510 20 0 EHADLO O=C(NCC1CCCCCCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000746146189 1132383786 /nfs/dbraw/zinc/38/37/86/1132383786.db2.gz HHKAUBAWTJVJTE-UHFFFAOYSA-N 1 2 344.499 3.609 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000746286744 1132397834 /nfs/dbraw/zinc/39/78/34/1132397834.db2.gz FZSBQKZMVLESPC-AZUAARDMSA-N 1 2 337.467 3.883 20 0 EHADLO O=C1CCCN1c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174521625 1132399151 /nfs/dbraw/zinc/39/91/51/1132399151.db2.gz ALFCIOBAOZOWOH-UHFFFAOYSA-N 1 2 336.439 3.942 20 0 EHADLO COCCOc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174521829 1132399193 /nfs/dbraw/zinc/39/91/93/1132399193.db2.gz FMUDYQKKBSRBIB-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1F ZINC001174523365 1132400688 /nfs/dbraw/zinc/40/06/88/1132400688.db2.gz JXKAVSXZDKVVMM-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO c1cc(OC2COC2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523520 1132400713 /nfs/dbraw/zinc/40/07/13/1132400713.db2.gz MMILRCIYHSZSAM-UHFFFAOYSA-N 1 2 325.412 3.593 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2nc3ccccc3nc2C)o1 ZINC000184856897 1132411599 /nfs/dbraw/zinc/41/15/99/1132411599.db2.gz HCOZPEPCCFCETA-SFHVURJKSA-N 1 2 325.412 3.571 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189444799 1132443908 /nfs/dbraw/zinc/44/39/08/1132443908.db2.gz NYJZSSFMLTWFGE-ZWNOBZJWSA-N 1 2 339.270 3.954 20 0 EHADLO COC/C(C)=C\C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001174808556 1132479266 /nfs/dbraw/zinc/47/92/66/1132479266.db2.gz OCHFFIPPUGFCGD-WZUFQYTHSA-N 1 2 328.225 3.539 20 0 EHADLO COC/C(C)=C\C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001174808556 1132479271 /nfs/dbraw/zinc/47/92/71/1132479271.db2.gz OCHFFIPPUGFCGD-WZUFQYTHSA-N 1 2 328.225 3.539 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000193723870 1132482644 /nfs/dbraw/zinc/48/26/44/1132482644.db2.gz PNMSWRBNUDIVLX-NWDGAFQWSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000193723870 1132482651 /nfs/dbraw/zinc/48/26/51/1132482651.db2.gz PNMSWRBNUDIVLX-NWDGAFQWSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000193723881 1132483073 /nfs/dbraw/zinc/48/30/73/1132483073.db2.gz PNMSWRBNUDIVLX-NEPJUHHUSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000193723881 1132483074 /nfs/dbraw/zinc/48/30/74/1132483074.db2.gz PNMSWRBNUDIVLX-NEPJUHHUSA-N 1 2 339.361 3.670 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)C(=O)OC ZINC001174925166 1132507659 /nfs/dbraw/zinc/50/76/59/1132507659.db2.gz QBGQKKPQDRENLQ-IEAZIUSSSA-N 1 2 341.879 3.575 20 0 EHADLO c1cc(OC2CCCC2)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976614 1132510531 /nfs/dbraw/zinc/51/05/31/1132510531.db2.gz BIKPPGZGLNQFKB-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cc(F)c(F)c(F)c3)c[nH+]2)C[C@H](C)O1 ZINC001174955348 1132517321 /nfs/dbraw/zinc/51/73/21/1132517321.db2.gz LGKDOLZFJLSGJC-PHIMTYICSA-N 1 2 337.345 3.856 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)c(=S)n2C)cc1 ZINC000766372839 1132525233 /nfs/dbraw/zinc/52/52/33/1132525233.db2.gz DSKZIZVXIOUGQQ-CABCVRRESA-N 1 2 330.501 3.862 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)c(=S)n2C)cc1 ZINC000766372839 1132525240 /nfs/dbraw/zinc/52/52/40/1132525240.db2.gz DSKZIZVXIOUGQQ-CABCVRRESA-N 1 2 330.501 3.862 20 0 EHADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)[C@@H]2CCCC[C@@H]12 ZINC000766421559 1132535694 /nfs/dbraw/zinc/53/56/94/1132535694.db2.gz KGZBOSLSVTZEKG-IJEWVQPXSA-N 1 2 327.476 3.986 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccc(Cl)nc3)C2=O)cc1 ZINC000746449927 1132540013 /nfs/dbraw/zinc/54/00/13/1132540013.db2.gz INGVNCSRBPSYLH-KRWDZBQOSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccc(Cl)nc3)C2=O)cc1 ZINC000746449927 1132540016 /nfs/dbraw/zinc/54/00/16/1132540016.db2.gz INGVNCSRBPSYLH-KRWDZBQOSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1cc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1[NH+](C)C ZINC001168900051 1132592289 /nfs/dbraw/zinc/59/22/89/1132592289.db2.gz UJXQPDCVOCADKN-IBGZPJMESA-N 1 2 337.467 3.778 20 0 EHADLO CCOc1cccc(Nc2ccccc2C[NH+]2CCN(C)CC2)c1F ZINC001175236119 1132605336 /nfs/dbraw/zinc/60/53/36/1132605336.db2.gz ADRZKMUJKUTQRT-UHFFFAOYSA-N 1 2 343.446 3.715 20 0 EHADLO c1cc(OC2CCOCC2)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349292 1132628185 /nfs/dbraw/zinc/62/81/85/1132628185.db2.gz NHSXENCQSMGNLR-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N(C)C)[nH+]c2)c(C(F)(F)F)c1 ZINC001175343064 1132628211 /nfs/dbraw/zinc/62/82/11/1132628211.db2.gz VUAQMSJROIUWDK-UHFFFAOYSA-N 1 2 339.317 3.697 20 0 EHADLO Clc1nc2sccc2c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169000548 1132628553 /nfs/dbraw/zinc/62/85/53/1132628553.db2.gz PFTFZWIOIMYTIF-UHFFFAOYSA-N 1 2 329.816 3.647 20 0 EHADLO COc1c(F)cc(Nc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001175346645 1132628766 /nfs/dbraw/zinc/62/87/66/1132628766.db2.gz VUSSJQBZOTVSQN-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO CC(=O)c1c(Br)cccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345744 1132629264 /nfs/dbraw/zinc/62/92/64/1132629264.db2.gz HAFPKQBZKOCYGI-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO Cc1ccc2c(Cl)nnc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC001169002453 1132629339 /nfs/dbraw/zinc/62/93/39/1132629339.db2.gz NJBLWVOETHREQH-UHFFFAOYSA-N 1 2 337.814 3.894 20 0 EHADLO CCN(CCO)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C)c1 ZINC001175350954 1132645621 /nfs/dbraw/zinc/64/56/21/1132645621.db2.gz FYLMODHOQNERBC-UHFFFAOYSA-N 1 2 340.471 3.552 20 0 EHADLO CCOC(=O)Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351762 1132645712 /nfs/dbraw/zinc/64/57/12/1132645712.db2.gz BAMJXVGZQLNEOT-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@H](Cc1ccccc1)CC(C)C ZINC001169058750 1132646507 /nfs/dbraw/zinc/64/65/07/1132646507.db2.gz KOBGNBUYACYWRW-ROUUACIJSA-N 1 2 337.529 3.918 20 0 EHADLO CCOC(=O)Cc1ccc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175353242 1132647397 /nfs/dbraw/zinc/64/73/97/1132647397.db2.gz YJBJREJPVZWOPB-UHFFFAOYSA-N 1 2 343.402 3.670 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc2ncsc2c1 ZINC001169158230 1132681436 /nfs/dbraw/zinc/68/14/36/1132681436.db2.gz DWYJVYYNNLTSBK-UHFFFAOYSA-N 1 2 348.431 3.590 20 0 EHADLO Nc1nc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)nc2ccccc12 ZINC001175504275 1132691683 /nfs/dbraw/zinc/69/16/83/1132691683.db2.gz WZPOJUFLBNYUGI-FQEVSTJZSA-N 1 2 336.414 3.673 20 0 EHADLO Nc1nc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)nc2ccccc12 ZINC001175504275 1132691688 /nfs/dbraw/zinc/69/16/88/1132691688.db2.gz WZPOJUFLBNYUGI-FQEVSTJZSA-N 1 2 336.414 3.673 20 0 EHADLO CC[C@H]1CN(Cc2cc[nH+]c(N(C)C)c2)c2cccc(Cl)c2O1 ZINC001169216435 1132697712 /nfs/dbraw/zinc/69/77/12/1132697712.db2.gz IOLUREAAIGRRCD-AWEZNQCLSA-N 1 2 331.847 3.979 20 0 EHADLO C[N@H+]1CCCC(=Nc2cc(-c3cccc(Br)c3)no2)C1 ZINC001175573766 1132712700 /nfs/dbraw/zinc/71/27/00/1132712700.db2.gz KANRRIQIYHOMKU-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO C[N@@H+]1CCCC(=Nc2cc(-c3cccc(Br)c3)no2)C1 ZINC001175573766 1132712696 /nfs/dbraw/zinc/71/26/96/1132712696.db2.gz KANRRIQIYHOMKU-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCc1ccc(C)cc1 ZINC001175750688 1132753291 /nfs/dbraw/zinc/75/32/91/1132753291.db2.gz YUERWYYTZUTEHS-OAQYLSRUSA-N 1 2 343.442 3.831 20 0 EHADLO CCOC(=O)c1ccsc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707020 1132754194 /nfs/dbraw/zinc/75/41/94/1132754194.db2.gz DNILUKSXWUMOQG-UHFFFAOYSA-N 1 2 331.319 3.664 20 0 EHADLO Oc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)ccc1Cl ZINC001212592333 1132807666 /nfs/dbraw/zinc/80/76/66/1132807666.db2.gz KOSLELAVUUALDC-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO Cc1cc(C)c(Nc2ccccc2S(=O)(=O)N2CCCCC2)c[nH+]1 ZINC001176022964 1132823755 /nfs/dbraw/zinc/82/37/55/1132823755.db2.gz LNGKTJQBPDWPEL-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001176122774 1132853431 /nfs/dbraw/zinc/85/34/31/1132853431.db2.gz HPFJLKSZGSXGRU-UHFFFAOYSA-N 1 2 329.400 3.859 20 0 EHADLO CCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)OCC ZINC001169933563 1132901809 /nfs/dbraw/zinc/90/18/09/1132901809.db2.gz PUYTUHPSUQUBME-IAQYHMDHSA-N 1 2 348.270 3.690 20 0 EHADLO CCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)OCC ZINC001169933563 1132901814 /nfs/dbraw/zinc/90/18/14/1132901814.db2.gz PUYTUHPSUQUBME-IAQYHMDHSA-N 1 2 348.270 3.690 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001176298866 1132907234 /nfs/dbraw/zinc/90/72/34/1132907234.db2.gz UWBIIYIRTQQSMO-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(OCc2ccccc2)nc1 ZINC001176305855 1132909694 /nfs/dbraw/zinc/90/96/94/1132909694.db2.gz VSTSVXMMQQZGAQ-UHFFFAOYSA-N 1 2 330.391 3.890 20 0 EHADLO CC(C)(C)c1nc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000767166538 1132956536 /nfs/dbraw/zinc/95/65/36/1132956536.db2.gz GZQBEFHHRIUUAY-UHFFFAOYSA-N 1 2 341.436 3.983 20 0 EHADLO Fc1cc(C(F)(F)F)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743258 1132990822 /nfs/dbraw/zinc/99/08/22/1132990822.db2.gz HTOLVTKTZLVWGI-UHFFFAOYSA-N 1 2 326.297 3.978 20 0 EHADLO Cc1c(Br)nccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750114 1132993322 /nfs/dbraw/zinc/99/33/22/1132993322.db2.gz QEOLBIWHAOZROY-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CC(C)S(=O)(=O)c1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750346 1132993348 /nfs/dbraw/zinc/99/33/48/1132993348.db2.gz CTTYLVSEJYBYCK-UHFFFAOYSA-N 1 2 345.468 3.608 20 0 EHADLO Cc1ccc2c(cccc2NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC001176967677 1133017621 /nfs/dbraw/zinc/01/76/21/1133017621.db2.gz UDHIMMOGCILLLW-INIZCTEOSA-N 1 2 346.434 3.793 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177012338 1133021626 /nfs/dbraw/zinc/02/16/26/1133021626.db2.gz AXKCTSSQVLQFBG-CWWFIGIMSA-N 1 2 338.426 3.792 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC001177012345 1133021848 /nfs/dbraw/zinc/02/18/48/1133021848.db2.gz AYUIHCWUPFUINT-LIRRHRJNSA-N 1 2 344.405 3.632 20 0 EHADLO COC(=O)c1ccc(CSCc2cc[nH+]c(N(C)C)c2)cc1F ZINC000767865580 1133061290 /nfs/dbraw/zinc/06/12/90/1133061290.db2.gz HHYIKJKCXRPHEH-UHFFFAOYSA-N 1 2 334.416 3.507 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177627946 1133088130 /nfs/dbraw/zinc/08/81/30/1133088130.db2.gz LDBIWJAIIUVXLG-HNNXBMFYSA-N 1 2 345.786 3.677 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177627946 1133088133 /nfs/dbraw/zinc/08/81/33/1133088133.db2.gz LDBIWJAIIUVXLG-HNNXBMFYSA-N 1 2 345.786 3.677 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000768142616 1133096540 /nfs/dbraw/zinc/09/65/40/1133096540.db2.gz IOPVEACEKBBPDC-CYBMUJFWSA-N 1 2 341.436 3.761 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000768148653 1133097621 /nfs/dbraw/zinc/09/76/21/1133097621.db2.gz WINADVJPKLJVBD-QBOMHBFWSA-N 1 2 343.858 3.883 20 0 EHADLO CC/C(=C/C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000768138069 1133101695 /nfs/dbraw/zinc/10/16/95/1133101695.db2.gz JGWWJTUVPXMMDN-FCUDFIOSSA-N 1 2 337.467 3.928 20 0 EHADLO CCc1cc(C)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)o1 ZINC000768174071 1133105914 /nfs/dbraw/zinc/10/59/14/1133105914.db2.gz MDGHQQHXTGQIJY-UHFFFAOYSA-N 1 2 331.412 3.660 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC001178115935 1133132445 /nfs/dbraw/zinc/13/24/45/1133132445.db2.gz IQTWAEWTADIBDY-MOPGFXCFSA-N 1 2 337.467 3.816 20 0 EHADLO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178122001 1133137784 /nfs/dbraw/zinc/13/77/84/1133137784.db2.gz PGZXYYRVEXRNPV-GOSISDBHSA-N 1 2 349.409 3.568 20 0 EHADLO CC(C)(Cc1ccncc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001178251265 1133145901 /nfs/dbraw/zinc/14/59/01/1133145901.db2.gz IGTFRJKENIFYKO-UHFFFAOYSA-N 1 2 334.423 3.534 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@H](C)c3ccccn3)cc12 ZINC000768744404 1133176682 /nfs/dbraw/zinc/17/66/82/1133176682.db2.gz YTXLULFBFDEEGA-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@H](C)c3ccccn3)cc12 ZINC000768744404 1133176685 /nfs/dbraw/zinc/17/66/85/1133176685.db2.gz YTXLULFBFDEEGA-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+]Cc1ccc(F)cc1Br ZINC001178532825 1133177187 /nfs/dbraw/zinc/17/71/87/1133177187.db2.gz ZKEPNZBYUDWRGO-UHFFFAOYSA-N 1 2 346.631 3.748 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(F)c(-c3nnc[nH]3)c2)n1-c1ccccc1 ZINC001178713305 1133193514 /nfs/dbraw/zinc/19/35/14/1133193514.db2.gz OJMQVFNDTSQEOY-UHFFFAOYSA-N 1 2 348.385 3.717 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)[nH]1 ZINC001178790748 1133198911 /nfs/dbraw/zinc/19/89/11/1133198911.db2.gz AVXLRBKZYBHNLJ-UHFFFAOYSA-N 1 2 344.365 3.727 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000769061804 1133223574 /nfs/dbraw/zinc/22/35/74/1133223574.db2.gz CCCCJRHMGYNYEI-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000769061804 1133223581 /nfs/dbraw/zinc/22/35/81/1133223581.db2.gz CCCCJRHMGYNYEI-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO Fc1ccc(/C=C/C[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC001179579973 1133265975 /nfs/dbraw/zinc/26/59/75/1133265975.db2.gz YTWMFMCEPVSDHU-ONEGZZNKSA-N 1 2 341.361 3.742 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000769386716 1133274118 /nfs/dbraw/zinc/27/41/18/1133274118.db2.gz FNTVFGJGBFUDST-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000769386716 1133274122 /nfs/dbraw/zinc/27/41/22/1133274122.db2.gz FNTVFGJGBFUDST-UHFFFAOYSA-N 1 2 347.842 3.890 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3c(F)cccc3OC)sc2c1 ZINC001179681557 1133274433 /nfs/dbraw/zinc/27/44/33/1133274433.db2.gz MONKGZNOGWWEGI-UHFFFAOYSA-N 1 2 332.400 3.742 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3c3ccc(F)c(F)c3)cnc2n1 ZINC000769429135 1133283320 /nfs/dbraw/zinc/28/33/20/1133283320.db2.gz VJYORPSKVIQJBT-SFHVURJKSA-N 1 2 342.393 3.961 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3c3ccc(F)c(F)c3)cnc2n1 ZINC000769429135 1133283325 /nfs/dbraw/zinc/28/33/25/1133283325.db2.gz VJYORPSKVIQJBT-SFHVURJKSA-N 1 2 342.393 3.961 20 0 EHADLO COc1cccc2c(C[N@@H+]3CCNC(=O)[C@@H]3c3ccccc3)cccc12 ZINC001179993102 1133311576 /nfs/dbraw/zinc/31/15/76/1133311576.db2.gz GSYCPUHMJRRVBU-NRFANRHFSA-N 1 2 346.430 3.522 20 0 EHADLO COc1cccc2c(C[N@H+]3CCNC(=O)[C@@H]3c3ccccc3)cccc12 ZINC001179993102 1133311578 /nfs/dbraw/zinc/31/15/78/1133311578.db2.gz GSYCPUHMJRRVBU-NRFANRHFSA-N 1 2 346.430 3.522 20 0 EHADLO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000769557042 1133314344 /nfs/dbraw/zinc/31/43/44/1133314344.db2.gz POBROTFBVCCARH-VXGBXAGGSA-N 1 2 342.277 3.700 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(C)c2O)n1 ZINC000769716502 1133334482 /nfs/dbraw/zinc/33/44/82/1133334482.db2.gz KVNSFINUFRYXSR-UHFFFAOYSA-N 1 2 333.457 3.560 20 0 EHADLO Cc1cccc2[nH]c(C[N@H+](C)CC(=O)Nc3cc(F)cc(F)c3)cc21 ZINC001180183389 1133336614 /nfs/dbraw/zinc/33/66/14/1133336614.db2.gz CMVRZBXDMWMWGJ-UHFFFAOYSA-N 1 2 343.377 3.825 20 0 EHADLO Cc1cccc2[nH]c(C[N@@H+](C)CC(=O)Nc3cc(F)cc(F)c3)cc21 ZINC001180183389 1133336618 /nfs/dbraw/zinc/33/66/18/1133336618.db2.gz CMVRZBXDMWMWGJ-UHFFFAOYSA-N 1 2 343.377 3.825 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC001180184420 1133336741 /nfs/dbraw/zinc/33/67/41/1133336741.db2.gz ORNKUWBFRCWNSM-VFADXPBXSA-N 1 2 334.435 3.780 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C/C=C/c1cccc(F)c1 ZINC001180184420 1133336743 /nfs/dbraw/zinc/33/67/43/1133336743.db2.gz ORNKUWBFRCWNSM-VFADXPBXSA-N 1 2 334.435 3.780 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001180185136 1133337622 /nfs/dbraw/zinc/33/76/22/1133337622.db2.gz XMAHUTPDCOFYRX-SFHVURJKSA-N 1 2 329.371 3.755 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001180185136 1133337627 /nfs/dbraw/zinc/33/76/27/1133337627.db2.gz XMAHUTPDCOFYRX-SFHVURJKSA-N 1 2 329.371 3.755 20 0 EHADLO COc1nc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)ccc1C ZINC001180149349 1133339666 /nfs/dbraw/zinc/33/96/66/1133339666.db2.gz VQVUGOQGTFHOQP-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)ccc1C ZINC001180149349 1133339672 /nfs/dbraw/zinc/33/96/72/1133339672.db2.gz VQVUGOQGTFHOQP-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000769781006 1133344181 /nfs/dbraw/zinc/34/41/81/1133344181.db2.gz BZGBAAIPTARIJM-HNNXBMFYSA-N 1 2 336.426 3.606 20 0 EHADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000769871490 1133360823 /nfs/dbraw/zinc/36/08/23/1133360823.db2.gz HODNZJWEDVVBNU-CYBMUJFWSA-N 1 2 340.427 3.591 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)[nH]2)cc1 ZINC000769988038 1133374095 /nfs/dbraw/zinc/37/40/95/1133374095.db2.gz PDTNINUPLRSUJZ-BRWVUGGUSA-N 1 2 340.471 3.832 20 0 EHADLO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc2[nH+]ccn21 ZINC000770074575 1133384002 /nfs/dbraw/zinc/38/40/02/1133384002.db2.gz IAKISRJAELTJCT-HXUWFJFHSA-N 1 2 345.377 3.993 20 0 EHADLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC000151214251 1133412529 /nfs/dbraw/zinc/41/25/29/1133412529.db2.gz DWTOUAGQZOMSJJ-UHFFFAOYSA-N 1 2 343.427 3.752 20 0 EHADLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1F)C1CCC1 ZINC000151214251 1133412535 /nfs/dbraw/zinc/41/25/35/1133412535.db2.gz DWTOUAGQZOMSJJ-UHFFFAOYSA-N 1 2 343.427 3.752 20 0 EHADLO CCOC(=O)CC(C)(C)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001180848456 1133420860 /nfs/dbraw/zinc/42/08/60/1133420860.db2.gz KORUTEIQPMHIGA-UHFFFAOYSA-N 1 2 332.419 3.645 20 0 EHADLO CCOC(=O)CC(C)(C)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001180848456 1133420864 /nfs/dbraw/zinc/42/08/64/1133420864.db2.gz KORUTEIQPMHIGA-UHFFFAOYSA-N 1 2 332.419 3.645 20 0 EHADLO CCCn1c[nH+]cc1CN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC001180872366 1133423576 /nfs/dbraw/zinc/42/35/76/1133423576.db2.gz CUYQTIPWGUNNPU-UHFFFAOYSA-N 1 2 328.847 3.917 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(C)nc3scc(C)n23)C1 ZINC001180954776 1133436101 /nfs/dbraw/zinc/43/61/01/1133436101.db2.gz ZNLNDWATPREEJH-AWEZNQCLSA-N 1 2 347.406 3.556 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(C)nc3scc(C)n23)C1 ZINC001180954776 1133436105 /nfs/dbraw/zinc/43/61/05/1133436105.db2.gz ZNLNDWATPREEJH-AWEZNQCLSA-N 1 2 347.406 3.556 20 0 EHADLO O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cccc2[nH+]ccn21 ZINC000770660416 1133455917 /nfs/dbraw/zinc/45/59/17/1133455917.db2.gz XZPSOWZEVGMSMV-UHFFFAOYSA-N 1 2 343.386 3.883 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647163 1133459578 /nfs/dbraw/zinc/45/95/78/1133459578.db2.gz WRWTZUSKDFISGV-WDEREUQCSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647163 1133459579 /nfs/dbraw/zinc/45/95/79/1133459579.db2.gz WRWTZUSKDFISGV-WDEREUQCSA-N 1 2 328.890 3.946 20 0 EHADLO CCCCn1cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c(C)n1 ZINC000771262217 1133533072 /nfs/dbraw/zinc/53/30/72/1133533072.db2.gz CDBXECLYZFUIHH-UHFFFAOYSA-N 1 2 349.504 3.542 20 0 EHADLO CCCC[C@H](C)[C@@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181958898 1133556712 /nfs/dbraw/zinc/55/67/12/1133556712.db2.gz RMFDQJYBLIPWGM-JKSUJKDBSA-N 1 2 348.491 3.597 20 0 EHADLO Cc1cc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)c(C)o1 ZINC001182042570 1133565531 /nfs/dbraw/zinc/56/55/31/1133565531.db2.gz ADEXVKTTXQROLO-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1cc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)c(C)o1 ZINC001182042570 1133565538 /nfs/dbraw/zinc/56/55/38/1133565538.db2.gz ADEXVKTTXQROLO-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1cc(OCCO[NH+]=C(N)Cc2cccnc2)ccc1C(C)C ZINC000771664582 1133580902 /nfs/dbraw/zinc/58/09/02/1133580902.db2.gz KWLMKQUBSWIBMK-UHFFFAOYSA-N 1 2 327.428 3.633 20 0 EHADLO c1ccc(OCCCOC2C[NH+](Cc3ccc4cnccc4c3)C2)cc1 ZINC001182215886 1133597050 /nfs/dbraw/zinc/59/70/50/1133597050.db2.gz JAKXDSKXISLCMY-UHFFFAOYSA-N 1 2 348.446 3.905 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1occc1CSc1ccccc1 ZINC000771893731 1133612750 /nfs/dbraw/zinc/61/27/50/1133612750.db2.gz PQHDOUCAJYUAPP-UHFFFAOYSA-N 1 2 328.393 3.625 20 0 EHADLO O[C@H](C[N@H+](Cc1ccccc1)Cc1cccc(Cl)n1)C(F)(F)F ZINC000781339955 1133619299 /nfs/dbraw/zinc/61/92/99/1133619299.db2.gz RKXZDISDFBYTEC-CQSZACIVSA-N 1 2 344.764 3.660 20 0 EHADLO O[C@H](C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)n1)C(F)(F)F ZINC000781339955 1133619303 /nfs/dbraw/zinc/61/93/03/1133619303.db2.gz RKXZDISDFBYTEC-CQSZACIVSA-N 1 2 344.764 3.660 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000772182621 1133649997 /nfs/dbraw/zinc/64/99/97/1133649997.db2.gz LIRIQGSPTXVBSA-GJZGRUSLSA-N 1 2 342.817 3.623 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000772182621 1133649999 /nfs/dbraw/zinc/64/99/99/1133649999.db2.gz LIRIQGSPTXVBSA-GJZGRUSLSA-N 1 2 342.817 3.623 20 0 EHADLO COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182441131 1133664428 /nfs/dbraw/zinc/66/44/28/1133664428.db2.gz ONBUCIMYAKRISW-LJQANCHMSA-N 1 2 333.391 3.549 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccnn2CCc2ccccc2)[C@@H](CC)CO1 ZINC001182755042 1133724099 /nfs/dbraw/zinc/72/40/99/1133724099.db2.gz PPDZVHSATPFWHB-AZUAARDMSA-N 1 2 327.472 3.515 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CCc2ccccc2)[C@@H](CC)CO1 ZINC001182755042 1133724103 /nfs/dbraw/zinc/72/41/03/1133724103.db2.gz PPDZVHSATPFWHB-AZUAARDMSA-N 1 2 327.472 3.515 20 0 EHADLO Cc1cc(C[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc(C)n1 ZINC001182864241 1133741233 /nfs/dbraw/zinc/74/12/33/1133741233.db2.gz CIMDSXSSELEOEW-UHFFFAOYSA-N 1 2 349.356 3.715 20 0 EHADLO Cc1cc(C[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc(C)n1 ZINC001182864241 1133741238 /nfs/dbraw/zinc/74/12/38/1133741238.db2.gz CIMDSXSSELEOEW-UHFFFAOYSA-N 1 2 349.356 3.715 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000785726425 1133741553 /nfs/dbraw/zinc/74/15/53/1133741553.db2.gz CTPWRYZQNUZZTI-GHMZBOCLSA-N 1 2 344.238 3.592 20 0 EHADLO CN1c2ccccc2C[N@H+](Cc2cc3c(cccc3O)s2)CC1=O ZINC001182940903 1133750166 /nfs/dbraw/zinc/75/01/66/1133750166.db2.gz CXEAMPYGIVSWGV-UHFFFAOYSA-N 1 2 338.432 3.586 20 0 EHADLO CN1c2ccccc2C[N@@H+](Cc2cc3c(cccc3O)s2)CC1=O ZINC001182940903 1133750172 /nfs/dbraw/zinc/75/01/72/1133750172.db2.gz CXEAMPYGIVSWGV-UHFFFAOYSA-N 1 2 338.432 3.586 20 0 EHADLO COc1cc(C)cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000786141019 1133806603 /nfs/dbraw/zinc/80/66/03/1133806603.db2.gz UMHKVCXFAFYADW-KRWDZBQOSA-N 1 2 344.459 3.745 20 0 EHADLO O=C(Nc1ccc(F)c2cnccc12)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183751477 1133855025 /nfs/dbraw/zinc/85/50/25/1133855025.db2.gz IVFQEOLBYRHHPV-LJQANCHMSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1ccc(F)c2cnccc12)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183751477 1133855032 /nfs/dbraw/zinc/85/50/32/1133855032.db2.gz IVFQEOLBYRHHPV-LJQANCHMSA-N 1 2 335.382 3.587 20 0 EHADLO CC(C)C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756544 1133855632 /nfs/dbraw/zinc/85/56/32/1133855632.db2.gz IZOOEFDGABJMKK-VQTJNVASSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756544 1133855640 /nfs/dbraw/zinc/85/56/40/1133855640.db2.gz IZOOEFDGABJMKK-VQTJNVASSA-N 1 2 337.467 3.560 20 0 EHADLO NC(=[NH+]OCCOCC(F)(F)C(F)F)c1cccc2ccccc21 ZINC000786744385 1133893335 /nfs/dbraw/zinc/89/33/35/1133893335.db2.gz OOSWSCKQTXRMCJ-UHFFFAOYSA-N 1 2 344.308 3.603 20 0 EHADLO CC[C@@H](C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184322574 1133927281 /nfs/dbraw/zinc/92/72/81/1133927281.db2.gz RJGFNEBOVXZKJR-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO CC[C@@H](C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184322574 1133927290 /nfs/dbraw/zinc/92/72/90/1133927290.db2.gz RJGFNEBOVXZKJR-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO CC(C)CC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184330925 1133928158 /nfs/dbraw/zinc/92/81/58/1133928158.db2.gz YYULPLSORAHYSA-UHFFFAOYSA-N 1 2 336.435 3.756 20 0 EHADLO CC(C)CC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184330925 1133928159 /nfs/dbraw/zinc/92/81/59/1133928159.db2.gz YYULPLSORAHYSA-UHFFFAOYSA-N 1 2 336.435 3.756 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000787182811 1133968036 /nfs/dbraw/zinc/96/80/36/1133968036.db2.gz FXMQJJPAAZDMCZ-JTQLQIEISA-N 1 2 344.768 3.857 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000787182811 1133968040 /nfs/dbraw/zinc/96/80/40/1133968040.db2.gz FXMQJJPAAZDMCZ-JTQLQIEISA-N 1 2 344.768 3.857 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(OC)c1 ZINC001184964512 1134008083 /nfs/dbraw/zinc/00/80/83/1134008083.db2.gz LIJXDIRSTTZUSM-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Nc1cc(COC(=O)c2ccc(SC(F)(F)F)cc2)cc[nH+]1 ZINC000787592814 1134017006 /nfs/dbraw/zinc/01/70/06/1134017006.db2.gz UDKIVLOIHCNSMV-UHFFFAOYSA-N 1 2 328.315 3.633 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)cc1F ZINC000774828616 1134027373 /nfs/dbraw/zinc/02/73/73/1134027373.db2.gz WGGQZWOFOPIPIC-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(Cl)nc(Cl)c3)[nH+]c12 ZINC000787934062 1134055624 /nfs/dbraw/zinc/05/56/24/1134055624.db2.gz IPQZJRVTYZHWAN-UHFFFAOYSA-N 1 2 335.194 3.526 20 0 EHADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@H](C)CCCC(C)C ZINC001170080732 1134062606 /nfs/dbraw/zinc/06/26/06/1134062606.db2.gz LPLLPHDUPMABGC-APWZRJJASA-N 1 2 348.535 3.714 20 0 EHADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@H](C)CCCC(C)C ZINC001170080732 1134062612 /nfs/dbraw/zinc/06/26/12/1134062612.db2.gz LPLLPHDUPMABGC-APWZRJJASA-N 1 2 348.535 3.714 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(N2CCCC2=O)cc1 ZINC000788022203 1134074622 /nfs/dbraw/zinc/07/46/22/1134074622.db2.gz ZJAYPKVYADJKDI-AWEZNQCLSA-N 1 2 341.455 3.950 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CCCC1 ZINC000788486463 1134131181 /nfs/dbraw/zinc/13/11/81/1134131181.db2.gz WJSVUFXKWIGTQD-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CCCC1 ZINC000788486463 1134131184 /nfs/dbraw/zinc/13/11/84/1134131184.db2.gz WJSVUFXKWIGTQD-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001185830054 1134138634 /nfs/dbraw/zinc/13/86/34/1134138634.db2.gz GKFVYZNDVQZTGY-UHFFFAOYSA-N 1 2 336.395 3.571 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788613983 1134151991 /nfs/dbraw/zinc/15/19/91/1134151991.db2.gz YYDLDQDKMSMRNS-VXNVDRBHSA-N 1 2 342.212 4.000 20 0 EHADLO C[N@@H+]1CCCc2cc(N[C@H](c3cn[nH]n3)c3ccc(F)cc3)ccc21 ZINC000788729129 1134163404 /nfs/dbraw/zinc/16/34/04/1134163404.db2.gz QNYRFOSNTLSMQS-IBGZPJMESA-N 1 2 337.402 3.528 20 0 EHADLO C[N@H+]1CCCc2cc(N[C@H](c3cn[nH]n3)c3ccc(F)cc3)ccc21 ZINC000788729129 1134163407 /nfs/dbraw/zinc/16/34/07/1134163407.db2.gz QNYRFOSNTLSMQS-IBGZPJMESA-N 1 2 337.402 3.528 20 0 EHADLO CC[C@@H]1CN(C(=O)c2nc(Cl)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000788768975 1134166845 /nfs/dbraw/zinc/16/68/45/1134166845.db2.gz PBUHIEWFGSEHMB-CQSZACIVSA-N 1 2 349.887 3.533 20 0 EHADLO CC[C@@H]1CN(C(=O)c2nc(Cl)cs2)CC[N@H+]1Cc1ccccc1 ZINC000788768975 1134166848 /nfs/dbraw/zinc/16/68/48/1134166848.db2.gz PBUHIEWFGSEHMB-CQSZACIVSA-N 1 2 349.887 3.533 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2ncnn2C)ccc1SC(F)F ZINC000788983884 1134200631 /nfs/dbraw/zinc/20/06/31/1134200631.db2.gz NZAAZCZVRJUGRM-VHSXEESVSA-N 1 2 342.415 3.550 20 0 EHADLO CCSCc1ccccc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000789099577 1134225526 /nfs/dbraw/zinc/22/55/26/1134225526.db2.gz JHVBMQLKTRJWJZ-UHFFFAOYSA-N 1 2 330.453 3.758 20 0 EHADLO C=Cc1ccc(C(=O)NCc2c[nH+]cn2Cc2ccccc2OC)cc1 ZINC001186526675 1134229159 /nfs/dbraw/zinc/22/91/59/1134229159.db2.gz KYYNXUIJGWSDLU-UHFFFAOYSA-N 1 2 347.418 3.513 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000789298885 1134250596 /nfs/dbraw/zinc/25/05/96/1134250596.db2.gz YHMUPFMSLGBLQY-QGZVFWFLSA-N 1 2 333.428 3.981 20 0 EHADLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170109728 1134292456 /nfs/dbraw/zinc/29/24/56/1134292456.db2.gz SAJPFQAHMPPQKT-HFTRVMKXSA-N 1 2 333.472 3.726 20 0 EHADLO CCN(C1C[NH+](C)C1)C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001157456937 1134300476 /nfs/dbraw/zinc/30/04/76/1134300476.db2.gz XMLMXHXDRMZJEK-UHFFFAOYSA-N 1 2 344.620 3.727 20 0 EHADLO Fc1ccccc1-n1ncc2c1nc[nH+]c2NCC[C@H]1CCSC1 ZINC001187316328 1134325695 /nfs/dbraw/zinc/32/56/95/1134325695.db2.gz XMMMDBDVPSOKCV-LBPRGKRZSA-N 1 2 343.431 3.510 20 0 EHADLO Cc1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nc(C2CCC2)[nH+]1 ZINC001187541747 1134347675 /nfs/dbraw/zinc/34/76/75/1134347675.db2.gz NOBUYOZKOBLPJD-STQMWFEESA-N 1 2 329.366 3.964 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(F)cc(F)c1 ZINC001187570624 1134353821 /nfs/dbraw/zinc/35/38/21/1134353821.db2.gz YFYGSCWHBLGKKN-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO COc1ccc(O)c(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC000746882612 1134374786 /nfs/dbraw/zinc/37/47/86/1134374786.db2.gz CVTWILYBPFZLTK-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO C[C@H]1CC/C(=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000790156246 1134376635 /nfs/dbraw/zinc/37/66/35/1134376635.db2.gz AYXMDAINBUBOIL-WSTOHFRZSA-N 1 2 327.472 3.672 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)Nc1cc[nH+]c(N2CCCC2)c1 ZINC001187905628 1134395666 /nfs/dbraw/zinc/39/56/66/1134395666.db2.gz RRZWHTIBEBVRPS-UHFFFAOYSA-N 1 2 346.818 3.988 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)c1nnnn1C1CC1 ZINC000790536270 1134433091 /nfs/dbraw/zinc/43/30/91/1134433091.db2.gz FMODPIBPCAFEGN-SDBXPKJASA-N 1 2 338.242 3.653 20 0 EHADLO COc1ccc[nH+]c1NCc1cnn(Cc2ccccc2)c1Cl ZINC000790568373 1134436846 /nfs/dbraw/zinc/43/68/46/1134436846.db2.gz LUBPDFYQOPSQHX-UHFFFAOYSA-N 1 2 328.803 3.601 20 0 EHADLO CCC1=C(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CCCO1 ZINC000790582741 1134439433 /nfs/dbraw/zinc/43/94/33/1134439433.db2.gz SXXXMODHUKBXBS-OAHLLOKOSA-N 1 2 346.446 3.505 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001188702599 1134496390 /nfs/dbraw/zinc/49/63/90/1134496390.db2.gz KNQXHPRHJBOFLC-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(F)c(F)c1F ZINC000791411636 1134547472 /nfs/dbraw/zinc/54/74/72/1134547472.db2.gz IFQUBMITTPTFOR-UHFFFAOYSA-N 1 2 346.308 3.955 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000791567105 1134575110 /nfs/dbraw/zinc/57/51/10/1134575110.db2.gz RZEIJMZVIMNZTR-HTQZYQBOSA-N 1 2 328.235 3.543 20 0 EHADLO Nc1cc(COC(=O)C2(Sc3ccccc3)CCCC2)cc[nH+]1 ZINC000791900810 1134623637 /nfs/dbraw/zinc/62/36/37/1134623637.db2.gz XBUIZRISMWXJGY-UHFFFAOYSA-N 1 2 328.437 3.812 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)c2ccccc2c1 ZINC000792082548 1134652465 /nfs/dbraw/zinc/65/24/65/1134652465.db2.gz SDZDIABFVOXSKU-GOSISDBHSA-N 1 2 337.423 3.587 20 0 EHADLO O=C(Nc1ccccc1-c1cc[nH]n1)c1ccccc1-n1cc[nH+]c1 ZINC001190099643 1134656198 /nfs/dbraw/zinc/65/61/98/1134656198.db2.gz KOOMJWJKBPXUCU-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113036 1134661466 /nfs/dbraw/zinc/66/14/66/1134661466.db2.gz GZLBUSOFCTTXLQ-UHFFFAOYSA-N 1 2 333.435 3.932 20 0 EHADLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000792519916 1134692523 /nfs/dbraw/zinc/69/25/23/1134692523.db2.gz VTIJBAOYOOLCFG-CQSZACIVSA-N 1 2 340.345 3.714 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000775393861 1134711659 /nfs/dbraw/zinc/71/16/59/1134711659.db2.gz PREVBFWCBPCHSZ-QGZVFWFLSA-N 1 2 341.842 3.983 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1CNc1ccc(Cl)c(N)[nH+]1 ZINC001157701345 1134713013 /nfs/dbraw/zinc/71/30/13/1134713013.db2.gz FVPUSYSQDFOOCS-UHFFFAOYSA-N 1 2 347.724 3.837 20 0 EHADLO CC[N@@H+](Cc1ccc(Br)nc1N)Cc1ccccc1F ZINC001190627162 1134728900 /nfs/dbraw/zinc/72/89/00/1134728900.db2.gz FTFHWDOZZYRXOE-UHFFFAOYSA-N 1 2 338.224 3.588 20 0 EHADLO CC[N@H+](Cc1ccc(Br)nc1N)Cc1ccccc1F ZINC001190627162 1134728906 /nfs/dbraw/zinc/72/89/06/1134728906.db2.gz FTFHWDOZZYRXOE-UHFFFAOYSA-N 1 2 338.224 3.588 20 0 EHADLO CCCOc1ccccc1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001190993900 1134772049 /nfs/dbraw/zinc/77/20/49/1134772049.db2.gz KWIDEPSEMOWPRA-UHFFFAOYSA-N 1 2 349.434 3.933 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCCCCCC1 ZINC000792778843 1134792808 /nfs/dbraw/zinc/79/28/08/1134792808.db2.gz WDMXEZKHFZMJRO-UHFFFAOYSA-N 1 2 335.398 3.852 20 0 EHADLO Cc1cc(N2CCC[C@H]2C(=O)Nc2ccccc2)nc(C(C)(C)C)[nH+]1 ZINC000077911936 1134808817 /nfs/dbraw/zinc/80/88/17/1134808817.db2.gz MJDNUAGVHZASQG-INIZCTEOSA-N 1 2 338.455 3.690 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1F ZINC000792902487 1134817900 /nfs/dbraw/zinc/81/79/00/1134817900.db2.gz HKTRCKZSJFTOQI-HIFRSBDPSA-N 1 2 345.245 3.588 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1F ZINC000792902487 1134817907 /nfs/dbraw/zinc/81/79/07/1134817907.db2.gz HKTRCKZSJFTOQI-HIFRSBDPSA-N 1 2 345.245 3.588 20 0 EHADLO CCCCCn1cc(C(=O)OCCc2c[nH+]cn2C)c2ccccc21 ZINC000793237843 1134882039 /nfs/dbraw/zinc/88/20/39/1134882039.db2.gz JHLHFUGCIWDBGS-UHFFFAOYSA-N 1 2 339.439 3.965 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000793252490 1134889945 /nfs/dbraw/zinc/88/99/45/1134889945.db2.gz MKWHYHXYRDLADX-UHFFFAOYSA-N 1 2 330.403 3.547 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccnc(Oc2ccccc2)c1 ZINC001191796320 1134925158 /nfs/dbraw/zinc/92/51/58/1134925158.db2.gz JRFXLKKMYCSQMB-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C[C@]12CC[N@H+](Cn3nc(-c4cccs4)oc3=S)C[C@H]1C2(F)F ZINC000793527703 1134948300 /nfs/dbraw/zinc/94/83/00/1134948300.db2.gz KJVKOJKHAVAWGG-MFKMUULPSA-N 1 2 343.424 3.869 20 0 EHADLO C[C@]12CC[N@@H+](Cn3nc(-c4cccs4)oc3=S)C[C@H]1C2(F)F ZINC000793527703 1134948306 /nfs/dbraw/zinc/94/83/06/1134948306.db2.gz KJVKOJKHAVAWGG-MFKMUULPSA-N 1 2 343.424 3.869 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000793627312 1134974641 /nfs/dbraw/zinc/97/46/41/1134974641.db2.gz FUILYNRCWZTHJB-FQEVSTJZSA-N 1 2 349.434 3.647 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000793627312 1134974649 /nfs/dbraw/zinc/97/46/49/1134974649.db2.gz FUILYNRCWZTHJB-FQEVSTJZSA-N 1 2 349.434 3.647 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)nc1Cl ZINC001192243819 1134983732 /nfs/dbraw/zinc/98/37/32/1134983732.db2.gz OFHHQUHPYPOHRR-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)nc1Cl ZINC001192243819 1134983736 /nfs/dbraw/zinc/98/37/36/1134983736.db2.gz OFHHQUHPYPOHRR-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1cc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC001192414736 1135010742 /nfs/dbraw/zinc/01/07/42/1135010742.db2.gz DRFRSYLYHFXPDR-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO COc1ccc(OC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000775530919 1135019180 /nfs/dbraw/zinc/01/91/80/1135019180.db2.gz DCVGUQFDAZDYLM-LJQANCHMSA-N 1 2 325.408 3.655 20 0 EHADLO COc1ccc(OC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000775530919 1135019184 /nfs/dbraw/zinc/01/91/84/1135019184.db2.gz DCVGUQFDAZDYLM-LJQANCHMSA-N 1 2 325.408 3.655 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000794213153 1135033722 /nfs/dbraw/zinc/03/37/22/1135033722.db2.gz LAYTYAJMWAMYPJ-GOSISDBHSA-N 1 2 346.390 3.841 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775557838 1135077366 /nfs/dbraw/zinc/07/73/66/1135077366.db2.gz LJWVMQAXSZKOTA-INIZCTEOSA-N 1 2 336.439 3.528 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775557838 1135077369 /nfs/dbraw/zinc/07/73/69/1135077369.db2.gz LJWVMQAXSZKOTA-INIZCTEOSA-N 1 2 336.439 3.528 20 0 EHADLO CSc1cnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000804509104 1135093834 /nfs/dbraw/zinc/09/38/34/1135093834.db2.gz ZXJJZLHLFMETBX-ZDUSSCGKSA-N 1 2 348.903 3.735 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(Br)s1 ZINC001129594379 1135117762 /nfs/dbraw/zinc/11/77/62/1135117762.db2.gz PVCTURAWAUXGMP-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC001193385375 1135133850 /nfs/dbraw/zinc/13/38/50/1135133850.db2.gz UUXXCWFFAKBCRM-FZMZJTMJSA-N 1 2 347.402 3.747 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC001193385375 1135133853 /nfs/dbraw/zinc/13/38/53/1135133853.db2.gz UUXXCWFFAKBCRM-FZMZJTMJSA-N 1 2 347.402 3.747 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ccc(F)c3c2CCCC3)c[nH+]1 ZINC001129841274 1135169088 /nfs/dbraw/zinc/16/90/88/1135169088.db2.gz BXVKMHNHHXFGEW-UHFFFAOYSA-N 1 2 340.442 3.965 20 0 EHADLO OC[C@@]1([NH2+]Cc2nccc(Cl)c2Cl)CCCc2ccccc21 ZINC001193732747 1135173911 /nfs/dbraw/zinc/17/39/11/1135173911.db2.gz AIUGEDNMKGUOBQ-KRWDZBQOSA-N 1 2 337.250 3.702 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1-c1cccc(Cl)c1 ZINC001193818804 1135188461 /nfs/dbraw/zinc/18/84/61/1135188461.db2.gz LEWTXTUDOAYOBZ-UHFFFAOYSA-N 1 2 339.826 3.713 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Oc1ccc(Cl)cc1 ZINC001194055532 1135222426 /nfs/dbraw/zinc/22/24/26/1135222426.db2.gz GDIBDCNFWOXIAP-UHFFFAOYSA-N 1 2 346.814 3.783 20 0 EHADLO Cc1cc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)cc(C)[nH+]1 ZINC001130044634 1135226245 /nfs/dbraw/zinc/22/62/45/1135226245.db2.gz DUCSBQIVWFRYOC-UHFFFAOYSA-N 1 2 341.798 3.937 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cccnc3OC)CC2)cc1Cl ZINC001194291442 1135256719 /nfs/dbraw/zinc/25/67/19/1135256719.db2.gz OFZZLJIVKYKHMF-UHFFFAOYSA-N 1 2 345.874 3.628 20 0 EHADLO COc1c(Cl)c(Cl)sc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001194546610 1135283669 /nfs/dbraw/zinc/28/36/69/1135283669.db2.gz CUZDKSSSNTWENQ-UHFFFAOYSA-N 1 2 342.207 3.964 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC001194600569 1135291711 /nfs/dbraw/zinc/29/17/11/1135291711.db2.gz WFCWPMKXOGTAFU-GUYCJALGSA-N 1 2 326.843 3.683 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC001194600569 1135291713 /nfs/dbraw/zinc/29/17/13/1135291713.db2.gz WFCWPMKXOGTAFU-GUYCJALGSA-N 1 2 326.843 3.683 20 0 EHADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194754456 1135318433 /nfs/dbraw/zinc/31/84/33/1135318433.db2.gz FBYVKNXPGDXIMT-HNNXBMFYSA-N 1 2 330.435 3.845 20 0 EHADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194754456 1135318437 /nfs/dbraw/zinc/31/84/37/1135318437.db2.gz FBYVKNXPGDXIMT-HNNXBMFYSA-N 1 2 330.435 3.845 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194895325 1135337310 /nfs/dbraw/zinc/33/73/10/1135337310.db2.gz QJNGATIXGGCPGB-HNNXBMFYSA-N 1 2 349.434 3.929 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cc(C3CCCC3)no2)c1 ZINC001194888026 1135343096 /nfs/dbraw/zinc/34/30/96/1135343096.db2.gz SKOKRSCDTRAEGN-UHFFFAOYSA-N 1 2 336.395 3.985 20 0 EHADLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2c(F)ccc(F)c2F)CC1 ZINC001137933866 1135428711 /nfs/dbraw/zinc/42/87/11/1135428711.db2.gz XUNXCYKYBGPRHS-UHFFFAOYSA-N 1 2 343.389 3.905 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000121429009 1135484137 /nfs/dbraw/zinc/48/41/37/1135484137.db2.gz CMYLPNVECYJSJQ-UHFFFAOYSA-N 1 2 333.476 3.872 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC001196158227 1135525192 /nfs/dbraw/zinc/52/51/92/1135525192.db2.gz FJRKITFOAMOVAL-QWHCGFSZSA-N 1 2 342.302 3.826 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC001196158227 1135525197 /nfs/dbraw/zinc/52/51/97/1135525197.db2.gz FJRKITFOAMOVAL-QWHCGFSZSA-N 1 2 342.302 3.826 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1Br)c1ccc2[nH]c(=O)oc2c1 ZINC001196573517 1135583720 /nfs/dbraw/zinc/58/37/20/1135583720.db2.gz HTPQLMJAAOOEGM-VIFPVBQESA-N 1 2 348.200 3.542 20 0 EHADLO C/C(=C\c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184411 1135584796 /nfs/dbraw/zinc/58/47/96/1135584796.db2.gz YXNCHJDCNHCYIO-HAZIXKIPSA-N 1 2 339.439 3.765 20 0 EHADLO C/C(=C\c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184411 1135584801 /nfs/dbraw/zinc/58/48/01/1135584801.db2.gz YXNCHJDCNHCYIO-HAZIXKIPSA-N 1 2 339.439 3.765 20 0 EHADLO C/C=C/C=C\c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186148 1135587765 /nfs/dbraw/zinc/58/77/65/1135587765.db2.gz HGHCWMPSTZDTEL-RFRYHIOTSA-N 1 2 325.412 3.541 20 0 EHADLO C/C=C/C=C\c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186148 1135587770 /nfs/dbraw/zinc/58/77/70/1135587770.db2.gz HGHCWMPSTZDTEL-RFRYHIOTSA-N 1 2 325.412 3.541 20 0 EHADLO Cc1cc(OC(C)C)ccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001196767305 1135604401 /nfs/dbraw/zinc/60/44/01/1135604401.db2.gz AGDDYUNDLSSWOU-UHFFFAOYSA-N 1 2 327.428 3.525 20 0 EHADLO Cc1cc(OC(C)C)ccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001196767305 1135604405 /nfs/dbraw/zinc/60/44/05/1135604405.db2.gz AGDDYUNDLSSWOU-UHFFFAOYSA-N 1 2 327.428 3.525 20 0 EHADLO Cc1c(F)ccc(F)c1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001196734514 1135605131 /nfs/dbraw/zinc/60/51/31/1135605131.db2.gz XTXUFNCFAGVMMX-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001196771873 1135613596 /nfs/dbraw/zinc/61/35/96/1135613596.db2.gz HQQXFSROVRQGJI-FZMZJTMJSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001196771873 1135613600 /nfs/dbraw/zinc/61/36/00/1135613600.db2.gz HQQXFSROVRQGJI-FZMZJTMJSA-N 1 2 342.842 3.967 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000808135795 1135621272 /nfs/dbraw/zinc/62/12/72/1135621272.db2.gz TXDYUJVOAZXVJS-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000808135795 1135621273 /nfs/dbraw/zinc/62/12/73/1135621273.db2.gz TXDYUJVOAZXVJS-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC=C(c3ccccc3)C2)[C@H]1c1ccncc1 ZINC000808185389 1135627422 /nfs/dbraw/zinc/62/74/22/1135627422.db2.gz FSOVVXDBGGHZCB-FQEVSTJZSA-N 1 2 347.462 3.738 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC=C(c3ccccc3)C2)[C@H]1c1ccncc1 ZINC000808185389 1135627427 /nfs/dbraw/zinc/62/74/27/1135627427.db2.gz FSOVVXDBGGHZCB-FQEVSTJZSA-N 1 2 347.462 3.738 20 0 EHADLO O[C@@H]1c2ccccc2OC[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000808171880 1135630177 /nfs/dbraw/zinc/63/01/77/1135630177.db2.gz NFVZYKOFTWTWQT-CRAIPNDOSA-N 1 2 326.783 3.795 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Cl)c(Cl)nc3C)ccc2[nH+]1 ZINC000808344177 1135650956 /nfs/dbraw/zinc/65/09/56/1135650956.db2.gz PGUQILDMUCDSPN-UHFFFAOYSA-N 1 2 335.194 3.905 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC001197116053 1135651501 /nfs/dbraw/zinc/65/15/01/1135651501.db2.gz ORJVTDRRWRFSDC-UHFFFAOYSA-N 1 2 330.859 3.672 20 0 EHADLO Cn1cnc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000808375959 1135656531 /nfs/dbraw/zinc/65/65/31/1135656531.db2.gz MUYYPBKZKOTDGE-SFHVURJKSA-N 1 2 343.377 3.901 20 0 EHADLO Cc1cc(OCc2ccccc2)c(C(=O)NCCn2cc[nH+]c2)cc1C ZINC001197247740 1135664362 /nfs/dbraw/zinc/66/43/62/1135664362.db2.gz MDUNATRMWKGXEE-UHFFFAOYSA-N 1 2 349.434 3.509 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197316584 1135671650 /nfs/dbraw/zinc/67/16/50/1135671650.db2.gz PDHLTLQXZGXQED-PVAVHDDUSA-N 1 2 325.456 3.996 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197316584 1135671654 /nfs/dbraw/zinc/67/16/54/1135671654.db2.gz PDHLTLQXZGXQED-PVAVHDDUSA-N 1 2 325.456 3.996 20 0 EHADLO Cc1cn2cc(NC(=S)NCc3ccc(Cl)cc3)ccc2[nH+]1 ZINC001197554804 1135705950 /nfs/dbraw/zinc/70/59/50/1135705950.db2.gz TXVCRFHGMLPYAM-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](Cc1ncc(C)o1)CC2 ZINC001197701184 1135727448 /nfs/dbraw/zinc/72/74/48/1135727448.db2.gz FCLUOASLICZJFK-IBGZPJMESA-N 1 2 328.412 3.510 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](Cc1ncc(C)o1)CC2 ZINC001197701184 1135727450 /nfs/dbraw/zinc/72/74/50/1135727450.db2.gz FCLUOASLICZJFK-IBGZPJMESA-N 1 2 328.412 3.510 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCCC2)cn1 ZINC001197936287 1135752856 /nfs/dbraw/zinc/75/28/56/1135752856.db2.gz SLWBPENIYWICKE-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC001198003182 1135761084 /nfs/dbraw/zinc/76/10/84/1135761084.db2.gz YOUBTIIDODPBAE-AWEZNQCLSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC001198003182 1135761088 /nfs/dbraw/zinc/76/10/88/1135761088.db2.gz YOUBTIIDODPBAE-AWEZNQCLSA-N 1 2 329.271 3.873 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809373605 1135828568 /nfs/dbraw/zinc/82/85/68/1135828568.db2.gz YPBSHNVEKQZXPL-TXEJJXNPSA-N 1 2 325.334 3.527 20 0 EHADLO CC(C)Cn1ccc2c1cccc2-c1nc(Cc2c[nH+]cn2C)no1 ZINC000809447828 1135840841 /nfs/dbraw/zinc/84/08/41/1135840841.db2.gz HPIUQWOEKCENHQ-UHFFFAOYSA-N 1 2 335.411 3.672 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640869 1135842277 /nfs/dbraw/zinc/84/22/77/1135842277.db2.gz JEPQFPNQCHOTSY-UONOGXRCSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640869 1135842282 /nfs/dbraw/zinc/84/22/82/1135842282.db2.gz JEPQFPNQCHOTSY-UONOGXRCSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)C1CCC(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000809559819 1135850673 /nfs/dbraw/zinc/85/06/73/1135850673.db2.gz BKCWKQCUTFRONP-DQPZFDDXSA-N 1 2 333.476 3.783 20 0 EHADLO CC(C)C1CCC(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000809559819 1135850678 /nfs/dbraw/zinc/85/06/78/1135850678.db2.gz BKCWKQCUTFRONP-DQPZFDDXSA-N 1 2 333.476 3.783 20 0 EHADLO C[C@@H](O)c1ncc(C[NH2+]Cc2csc(-c3ccccc3)n2)s1 ZINC000809609458 1135856800 /nfs/dbraw/zinc/85/68/00/1135856800.db2.gz DLXIZBYYFXIUSA-LLVKDONJSA-N 1 2 331.466 3.610 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001199207798 1135886854 /nfs/dbraw/zinc/88/68/54/1135886854.db2.gz AOIDAFSBZHLURE-KRWDZBQOSA-N 1 2 340.427 3.733 20 0 EHADLO C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000780430223 1135897659 /nfs/dbraw/zinc/89/76/59/1135897659.db2.gz OSGJPUNGHNVSKL-RBBKRZOGSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000780430223 1135897662 /nfs/dbraw/zinc/89/76/62/1135897662.db2.gz OSGJPUNGHNVSKL-RBBKRZOGSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@H](CC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1)n1cc[nH+]c1 ZINC001132093306 1135924507 /nfs/dbraw/zinc/92/45/07/1135924507.db2.gz MYMWAUBLEVEAQU-NQIIRXRSSA-N 1 2 337.467 3.920 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1nccc2ccccc21 ZINC000810226571 1135941244 /nfs/dbraw/zinc/94/12/44/1135941244.db2.gz GKGLBBUPIQZIPY-OAHLLOKOSA-N 1 2 329.407 3.666 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000810229582 1135941536 /nfs/dbraw/zinc/94/15/36/1135941536.db2.gz YZMDHEKRQGDJBO-MRXNPFEDSA-N 1 2 348.406 3.902 20 0 EHADLO COC(=O)c1cc(C)c(C(F)(F)F)cc1Nc1ccc(N)[nH+]c1 ZINC001201284704 1136001050 /nfs/dbraw/zinc/00/10/50/1136001050.db2.gz WQJYQNIUJQSCIP-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO COc1cc(Nc2ccc(N)[nH+]c2)c(Br)cc1Cl ZINC001201292502 1136001509 /nfs/dbraw/zinc/00/15/09/1136001509.db2.gz YZXREQIJYBAPBJ-UHFFFAOYSA-N 1 2 328.597 3.832 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccc2occc2c1 ZINC000810874132 1136015478 /nfs/dbraw/zinc/01/54/78/1136015478.db2.gz HZKZMBACIKYIEW-UHFFFAOYSA-N 1 2 346.386 3.964 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCCCCCCF)CC2)cs1 ZINC000810911798 1136020925 /nfs/dbraw/zinc/02/09/25/1136020925.db2.gz NDGZMJNLLBAPEC-UHFFFAOYSA-N 1 2 342.480 3.737 20 0 EHADLO CC[N@H+](CCn1ccnc1)C/C(Br)=C/c1ccccc1 ZINC001201463110 1136023531 /nfs/dbraw/zinc/02/35/31/1136023531.db2.gz BDZVYCSRNXDZPH-VBKFSLOCSA-N 1 2 334.261 3.641 20 0 EHADLO CC[N@@H+](CCn1ccnc1)C/C(Br)=C/c1ccccc1 ZINC001201463110 1136023534 /nfs/dbraw/zinc/02/35/34/1136023534.db2.gz BDZVYCSRNXDZPH-VBKFSLOCSA-N 1 2 334.261 3.641 20 0 EHADLO CC(C)=CCC[C@H](C)CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201487684 1136027776 /nfs/dbraw/zinc/02/77/76/1136027776.db2.gz RQSVNAWDAQDTOA-SFHVURJKSA-N 1 2 330.520 3.677 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C2CC2)nc1 ZINC001201713516 1136054683 /nfs/dbraw/zinc/05/46/83/1136054683.db2.gz YHSJOCYAELSNDD-UHFFFAOYSA-N 1 2 335.411 3.854 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1c(F)cccc1F ZINC001202042367 1136090695 /nfs/dbraw/zinc/09/06/95/1136090695.db2.gz RLFRXWXZCBCQQN-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)s1 ZINC000811511904 1136103260 /nfs/dbraw/zinc/10/32/60/1136103260.db2.gz XGBLIAQUEWGSTN-AWEZNQCLSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)s1 ZINC000811511904 1136103262 /nfs/dbraw/zinc/10/32/62/1136103262.db2.gz XGBLIAQUEWGSTN-AWEZNQCLSA-N 1 2 337.489 3.510 20 0 EHADLO Fc1cccnc1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001202258118 1136115368 /nfs/dbraw/zinc/11/53/68/1136115368.db2.gz BWUWNFVATZKBSA-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1 ZINC000811749617 1136129339 /nfs/dbraw/zinc/12/93/39/1136129339.db2.gz WZUFECGGQJWRDI-QZTJIDSGSA-N 1 2 344.524 3.689 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1 ZINC000811749617 1136129340 /nfs/dbraw/zinc/12/93/40/1136129340.db2.gz WZUFECGGQJWRDI-QZTJIDSGSA-N 1 2 344.524 3.689 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765431 1136136914 /nfs/dbraw/zinc/13/69/14/1136136914.db2.gz JZJGEQYBAUDXKU-CRAIPNDOSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765431 1136136918 /nfs/dbraw/zinc/13/69/18/1136136918.db2.gz JZJGEQYBAUDXKU-CRAIPNDOSA-N 1 2 325.456 3.605 20 0 EHADLO CC1(C2CC2)CC[NH+](Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000811785117 1136140420 /nfs/dbraw/zinc/14/04/20/1136140420.db2.gz VVQFOSLRHPGUNC-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO Cc1ccc(NC(=O)NC2(c3ccccc3F)CCC2)c(N(C)C)[nH+]1 ZINC001202395419 1136141708 /nfs/dbraw/zinc/14/17/08/1136141708.db2.gz JHEAXPMDPIGFSA-UHFFFAOYSA-N 1 2 342.418 3.796 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812282157 1136191224 /nfs/dbraw/zinc/19/12/24/1136191224.db2.gz ZPHPDZXDEXEWCE-ZDUSSCGKSA-N 1 2 348.796 3.888 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812282157 1136191225 /nfs/dbraw/zinc/19/12/25/1136191225.db2.gz ZPHPDZXDEXEWCE-ZDUSSCGKSA-N 1 2 348.796 3.888 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H](C)c2ccccc2F)[nH+]1 ZINC000108956381 1136193078 /nfs/dbraw/zinc/19/30/78/1136193078.db2.gz FYUHNDGCYXDASD-MRXNPFEDSA-N 1 2 345.414 3.825 20 0 EHADLO Cc1cccc(COc2cccc(C(=O)OCc3c[nH+]cn3C)c2)c1 ZINC000747784309 1136196765 /nfs/dbraw/zinc/19/67/65/1136196765.db2.gz YINNNBPUJFETCJ-UHFFFAOYSA-N 1 2 336.391 3.665 20 0 EHADLO CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000812421718 1136205595 /nfs/dbraw/zinc/20/55/95/1136205595.db2.gz MJZBSTDWUBSKSO-DLBZAZTESA-N 1 2 341.455 3.761 20 0 EHADLO Cc1[nH+]cc(CN[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1C ZINC000850128019 1136212950 /nfs/dbraw/zinc/21/29/50/1136212950.db2.gz ULVMBRSSWQXASO-QFIPXVFZSA-N 1 2 347.462 3.933 20 0 EHADLO COc1cncc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000850279892 1136230278 /nfs/dbraw/zinc/23/02/78/1136230278.db2.gz RKOKTYDYASEBBV-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC ZINC001170685573 1136243966 /nfs/dbraw/zinc/24/39/66/1136243966.db2.gz PGOIJODBUCMRHQ-YOEHRIQHSA-N 1 2 325.399 3.534 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCC3CCC4(CC3)OCCO4)cc2)c1C ZINC000812785107 1136247446 /nfs/dbraw/zinc/24/74/46/1136247446.db2.gz FURRAFVVEWMSQH-UHFFFAOYSA-N 1 2 341.455 3.834 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001133453413 1136251962 /nfs/dbraw/zinc/25/19/62/1136251962.db2.gz SSVIQNVSPAJCIB-UHFFFAOYSA-N 1 2 347.340 3.883 20 0 EHADLO OC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001137985623 1136253430 /nfs/dbraw/zinc/25/34/30/1136253430.db2.gz UNJNOTCGODXTBM-SECBINFHSA-N 1 2 325.733 3.702 20 0 EHADLO OC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001137985623 1136253433 /nfs/dbraw/zinc/25/34/33/1136253433.db2.gz UNJNOTCGODXTBM-SECBINFHSA-N 1 2 325.733 3.702 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001133455639 1136253816 /nfs/dbraw/zinc/25/38/16/1136253816.db2.gz LBANVIYMDLRKIF-UHFFFAOYSA-N 1 2 347.340 3.890 20 0 EHADLO CCOC(=O)NC1CCC(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000850450633 1136261315 /nfs/dbraw/zinc/26/13/15/1136261315.db2.gz RAZQIWAJSNUWOZ-UHFFFAOYSA-N 1 2 331.460 3.756 20 0 EHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000850571776 1136289214 /nfs/dbraw/zinc/28/92/14/1136289214.db2.gz AKIYBHBBCMZSQP-GFCCVEGCSA-N 1 2 326.387 3.975 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000850583205 1136293562 /nfs/dbraw/zinc/29/35/62/1136293562.db2.gz JKNWRJFQVMZCAL-OPQQBVKSSA-N 1 2 341.274 3.678 20 0 EHADLO CC(C)COC[C@@H](N[C@H](C)c1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000813324648 1136315993 /nfs/dbraw/zinc/31/59/93/1136315993.db2.gz QJOVQKONKFTQBR-NVXWUHKLSA-N 1 2 331.460 3.877 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850970264 1136323728 /nfs/dbraw/zinc/32/37/28/1136323728.db2.gz VNMTYKOMOOFGHV-MSOLQXFVSA-N 1 2 326.440 3.555 20 0 EHADLO Cc1ccc(NC(=O)c2cc3cc(Cl)sc3[nH]2)c(N(C)C)[nH+]1 ZINC000813496305 1136342277 /nfs/dbraw/zinc/34/22/77/1136342277.db2.gz UXXMODJDABIOPI-UHFFFAOYSA-N 1 2 334.832 3.905 20 0 EHADLO c1cc2cccc(CNc3cc[nH+]c(OCc4ccccc4)c3)n2n1 ZINC001170709336 1136349782 /nfs/dbraw/zinc/34/97/82/1136349782.db2.gz LOXMSECJHLQGKQ-UHFFFAOYSA-N 1 2 330.391 3.920 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccnc2ccccc21 ZINC000851400142 1136376561 /nfs/dbraw/zinc/37/65/61/1136376561.db2.gz SROBGLOUVUHAAZ-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400318 1136376605 /nfs/dbraw/zinc/37/66/05/1136376605.db2.gz YJABFADMLMELHM-INIZCTEOSA-N 1 2 346.471 3.627 20 0 EHADLO Cn1ccc2c1cccc2C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399232 1136376847 /nfs/dbraw/zinc/37/68/47/1136376847.db2.gz PWHUGHCJFZVHFX-UHFFFAOYSA-N 1 2 349.434 3.647 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC001134112043 1136409073 /nfs/dbraw/zinc/40/90/73/1136409073.db2.gz NERYFNIULJSBIT-CYBMUJFWSA-N 1 2 342.201 3.769 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731490 1136413312 /nfs/dbraw/zinc/41/33/12/1136413312.db2.gz QYYIQLXFOQRDHE-WCXIOVBPSA-N 1 2 335.875 3.838 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c(C)o1 ZINC000852046181 1136429042 /nfs/dbraw/zinc/42/90/42/1136429042.db2.gz MKKMZLKTYIWDIM-KRWDZBQOSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c(C)o1 ZINC000852046181 1136429043 /nfs/dbraw/zinc/42/90/43/1136429043.db2.gz MKKMZLKTYIWDIM-KRWDZBQOSA-N 1 2 349.475 3.514 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)o1 ZINC000852110068 1136434383 /nfs/dbraw/zinc/43/43/83/1136434383.db2.gz JSAYLZZOKKVABM-UHFFFAOYSA-N 1 2 335.398 3.789 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)o1 ZINC000852110068 1136434386 /nfs/dbraw/zinc/43/43/86/1136434386.db2.gz JSAYLZZOKKVABM-UHFFFAOYSA-N 1 2 335.398 3.789 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335591 1136450603 /nfs/dbraw/zinc/45/06/03/1136450603.db2.gz LGINQUYSVIZMPL-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335591 1136450605 /nfs/dbraw/zinc/45/06/05/1136450605.db2.gz LGINQUYSVIZMPL-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@@]1=O ZINC000338950508 1136474140 /nfs/dbraw/zinc/47/41/40/1136474140.db2.gz YEXHRQXXOHEMAI-BSEYFRJRSA-N 1 2 349.446 3.550 20 0 EHADLO C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@@]1=O ZINC000338950508 1136474143 /nfs/dbraw/zinc/47/41/43/1136474143.db2.gz YEXHRQXXOHEMAI-BSEYFRJRSA-N 1 2 349.446 3.550 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc2c(c1)CCCO2 ZINC000852780140 1136485561 /nfs/dbraw/zinc/48/55/61/1136485561.db2.gz HIRYPUXBFZXFCS-ZDUSSCGKSA-N 1 2 327.428 3.903 20 0 EHADLO CCN(CCc1cccs1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747985637 1136521942 /nfs/dbraw/zinc/52/19/42/1136521942.db2.gz LIEKLODNSOUJME-UHFFFAOYSA-N 1 2 347.484 3.543 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000853491529 1136537423 /nfs/dbraw/zinc/53/74/23/1136537423.db2.gz QNJKPGFQNVVNDT-HKUYNNGSSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000853491529 1136537426 /nfs/dbraw/zinc/53/74/26/1136537426.db2.gz QNJKPGFQNVVNDT-HKUYNNGSSA-N 1 2 327.472 3.605 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562625 1136544556 /nfs/dbraw/zinc/54/45/56/1136544556.db2.gz BYMYNLODXMSRHY-WMLDXEAASA-N 1 2 334.435 3.577 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562625 1136544557 /nfs/dbraw/zinc/54/45/57/1136544557.db2.gz BYMYNLODXMSRHY-WMLDXEAASA-N 1 2 334.435 3.577 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000853588780 1136546799 /nfs/dbraw/zinc/54/67/99/1136546799.db2.gz GRGLZXIEUQHYIG-INIZCTEOSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000853588780 1136546803 /nfs/dbraw/zinc/54/68/03/1136546803.db2.gz GRGLZXIEUQHYIG-INIZCTEOSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCCC[C@H]1CC1CCC1)-c1ccccc1C2 ZINC000853606136 1136548360 /nfs/dbraw/zinc/54/83/60/1136548360.db2.gz KTZUEMYRCKTZBC-IBGZPJMESA-N 1 2 349.478 3.817 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCCC[C@H]1CC1CCC1)-c1ccccc1C2 ZINC000853606136 1136548363 /nfs/dbraw/zinc/54/83/63/1136548363.db2.gz KTZUEMYRCKTZBC-IBGZPJMESA-N 1 2 349.478 3.817 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c1=S ZINC000853607966 1136549146 /nfs/dbraw/zinc/54/91/46/1136549146.db2.gz ZRUMBQYGNZGTMU-GFCCVEGCSA-N 1 2 330.448 3.891 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1=S ZINC000853607966 1136549149 /nfs/dbraw/zinc/54/91/49/1136549149.db2.gz ZRUMBQYGNZGTMU-GFCCVEGCSA-N 1 2 330.448 3.891 20 0 EHADLO Cn1ncc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1Cl ZINC000815127381 1136554751 /nfs/dbraw/zinc/55/47/51/1136554751.db2.gz RHNMIBXWOVWPRR-SNVBAGLBSA-N 1 2 332.618 3.604 20 0 EHADLO Cc1ccc2nc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2c1 ZINC000815097723 1136555578 /nfs/dbraw/zinc/55/55/78/1136555578.db2.gz OCZRPWXILCZCLD-GOSISDBHSA-N 1 2 336.439 3.584 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccnc(Br)c2)CC2(CCCC2)O1 ZINC000815100994 1136556447 /nfs/dbraw/zinc/55/64/47/1136556447.db2.gz ZHERFXSJLHVOSX-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO CC1(C)C[N@H+](Cc2ccnc(Br)c2)CC2(CCCC2)O1 ZINC000815100994 1136556444 /nfs/dbraw/zinc/55/64/44/1136556444.db2.gz ZHERFXSJLHVOSX-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)O[C@H]3CC[C@H](C)C3)c2)cc[nH+]1 ZINC000815233114 1136569653 /nfs/dbraw/zinc/56/96/53/1136569653.db2.gz ZTJUNNGYZOJBOD-GUYCJALGSA-N 1 2 325.412 3.743 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2=O ZINC000815374701 1136588914 /nfs/dbraw/zinc/58/89/14/1136588914.db2.gz UMXKAABESZJEKT-UHFFFAOYSA-N 1 2 346.386 3.748 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001170792758 1136612642 /nfs/dbraw/zinc/61/26/42/1136612642.db2.gz DYXVTCYXLIMREO-HNNXBMFYSA-N 1 2 333.407 3.569 20 0 EHADLO O=C(COc1ccc(Cl)c(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000338971365 1136690125 /nfs/dbraw/zinc/69/01/25/1136690125.db2.gz GSSXSGQWUSWKCJ-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1nc2ccccc2[nH]1 ZINC000776826356 1136718538 /nfs/dbraw/zinc/71/85/38/1136718538.db2.gz DNUKFRGENAGLEM-SCLBCKFNSA-N 1 2 347.422 3.728 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001135583122 1136718543 /nfs/dbraw/zinc/71/85/43/1136718543.db2.gz JJKLVOGAGCVTGM-QGZVFWFLSA-N 1 2 345.446 3.998 20 0 EHADLO O=C([C@@H]1CCCC[C@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602773 1136725237 /nfs/dbraw/zinc/72/52/37/1136725237.db2.gz FVZHODDGCWLJFA-ZWKOTPCHSA-N 1 2 332.513 3.609 20 0 EHADLO O=C(Nc1cccc(COCc2ccco2)c1)c1cccc2[nH+]ccn21 ZINC000776831549 1136725943 /nfs/dbraw/zinc/72/59/43/1136725943.db2.gz UKFJBQSDKAJSBB-UHFFFAOYSA-N 1 2 347.374 3.896 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000509487649 1136751583 /nfs/dbraw/zinc/75/15/83/1136751583.db2.gz IVSYEGILCQMZGM-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000509487649 1136751586 /nfs/dbraw/zinc/75/15/86/1136751586.db2.gz IVSYEGILCQMZGM-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000856274615 1136771919 /nfs/dbraw/zinc/77/19/19/1136771919.db2.gz KWBMVCHVXWRVHW-NRFANRHFSA-N 1 2 333.435 3.729 20 0 EHADLO O=C(NCCc1cccc(F)c1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001135862491 1136792997 /nfs/dbraw/zinc/79/29/97/1136792997.db2.gz PLNKQHOSNHBONY-MAEOIBBWSA-N 1 2 341.430 3.550 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000817278456 1136793664 /nfs/dbraw/zinc/79/36/64/1136793664.db2.gz BQGCKNFEINUWMN-MNOVXSKESA-N 1 2 330.881 3.739 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cnc(Cl)s1 ZINC000817278456 1136793667 /nfs/dbraw/zinc/79/36/67/1136793667.db2.gz BQGCKNFEINUWMN-MNOVXSKESA-N 1 2 330.881 3.739 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@]3(CC=CCC3)C2)c1C ZINC000114524425 1136801389 /nfs/dbraw/zinc/80/13/89/1136801389.db2.gz PCXXDYUJBUKNNP-HXUWFJFHSA-N 1 2 343.471 3.739 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1F ZINC001138030869 1136814130 /nfs/dbraw/zinc/81/41/30/1136814130.db2.gz VLERVHKRQWIQAS-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1F ZINC001138030869 1136814133 /nfs/dbraw/zinc/81/41/33/1136814133.db2.gz VLERVHKRQWIQAS-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1C ZINC001136026780 1136840375 /nfs/dbraw/zinc/84/03/75/1136840375.db2.gz ITILFJLZILPURE-LGMDPLHJSA-N 1 2 340.492 3.804 20 0 EHADLO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170886254 1136858153 /nfs/dbraw/zinc/85/81/53/1136858153.db2.gz PZDACZKSTZWRKK-SJORKVTESA-N 1 2 336.273 3.750 20 0 EHADLO CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170886254 1136858154 /nfs/dbraw/zinc/85/81/54/1136858154.db2.gz PZDACZKSTZWRKK-SJORKVTESA-N 1 2 336.273 3.750 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(C(OC)OC)ccc1F)c1nccs1 ZINC000818191735 1136864607 /nfs/dbraw/zinc/86/46/07/1136864607.db2.gz DCPPEFIRTCMVKJ-KRWDZBQOSA-N 1 2 338.448 3.989 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001170891660 1136866266 /nfs/dbraw/zinc/86/62/66/1136866266.db2.gz DXZFRWQVTBIMMY-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001170891660 1136866267 /nfs/dbraw/zinc/86/62/67/1136866267.db2.gz DXZFRWQVTBIMMY-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H]3C[C@]3(F)c3ccccc3)cc12 ZINC000818229872 1136868075 /nfs/dbraw/zinc/86/80/75/1136868075.db2.gz GALCAMPGBLPZIC-YJBOKZPZSA-N 1 2 344.821 3.657 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1OC(F)F ZINC000857856035 1136913567 /nfs/dbraw/zinc/91/35/67/1136913567.db2.gz CWDGASWKRYJVQJ-CYBMUJFWSA-N 1 2 337.370 3.577 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1OC(F)F ZINC000857856035 1136913571 /nfs/dbraw/zinc/91/35/71/1136913571.db2.gz CWDGASWKRYJVQJ-CYBMUJFWSA-N 1 2 337.370 3.577 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987311 1136927378 /nfs/dbraw/zinc/92/73/78/1136927378.db2.gz TZGSYSRHKSOCGF-BMGYJQCNSA-N 1 2 335.329 3.566 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987314 1136927581 /nfs/dbraw/zinc/92/75/81/1136927581.db2.gz TZGSYSRHKSOCGF-ZHZWZMEUSA-N 1 2 335.329 3.566 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2ccc(Cl)cc2)CCCC1 ZINC000857990463 1136927889 /nfs/dbraw/zinc/92/78/89/1136927889.db2.gz VEDFMZLMJLSPOF-OAHLLOKOSA-N 1 2 329.831 3.610 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCCC(=O)c1ccccc1)CCN2 ZINC000857996974 1136928256 /nfs/dbraw/zinc/92/82/56/1136928256.db2.gz GYSSEWKJUJVEBQ-UHFFFAOYSA-N 1 2 337.423 3.592 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046149 1136934942 /nfs/dbraw/zinc/93/49/42/1136934942.db2.gz IFAQTQREFYWOBW-CJNGLKHVSA-N 1 2 342.443 3.680 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046149 1136934944 /nfs/dbraw/zinc/93/49/44/1136934944.db2.gz IFAQTQREFYWOBW-CJNGLKHVSA-N 1 2 342.443 3.680 20 0 EHADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)no1 ZINC000858051707 1136935677 /nfs/dbraw/zinc/93/56/77/1136935677.db2.gz MPQHFJVSMLKCIY-QGZVFWFLSA-N 1 2 341.455 3.898 20 0 EHADLO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)no1 ZINC000858051707 1136935680 /nfs/dbraw/zinc/93/56/80/1136935680.db2.gz MPQHFJVSMLKCIY-QGZVFWFLSA-N 1 2 341.455 3.898 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)c1cccc(Br)c1 ZINC000819408936 1136937034 /nfs/dbraw/zinc/93/70/34/1136937034.db2.gz NDGNUNPTJZRRDN-KRWDZBQOSA-N 1 2 349.272 3.969 20 0 EHADLO CSc1ccc(OC[C@@H](O)CNc2ccc([NH+](C)C)cc2C)cc1 ZINC000819410109 1136937101 /nfs/dbraw/zinc/93/71/01/1136937101.db2.gz WYGAIYGELGVCPY-INIZCTEOSA-N 1 2 346.496 3.635 20 0 EHADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(Cl)cs2)cc1 ZINC000858327590 1136958958 /nfs/dbraw/zinc/95/89/58/1136958958.db2.gz UTQLTJIZAKLLIL-CQSZACIVSA-N 1 2 337.876 3.590 20 0 EHADLO C[C@@]12CCN(c3nc4ccccc4n4c[nH+]cc34)C[C@@H]1C2(Cl)Cl ZINC000858532924 1136976636 /nfs/dbraw/zinc/97/66/36/1136976636.db2.gz OUFRKCYQHGNDLT-GOEBONIOSA-N 1 2 347.249 3.903 20 0 EHADLO CCC[C@@H](CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000820289314 1136987040 /nfs/dbraw/zinc/98/70/40/1136987040.db2.gz NSPBPPZOWFZIDP-MRXNPFEDSA-N 1 2 331.504 3.664 20 0 EHADLO CSc1ccc(/C=C/C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000858727288 1136989070 /nfs/dbraw/zinc/98/90/70/1136989070.db2.gz HYQHOLYKTSCWCE-HZRUHFOJSA-N 1 2 349.525 3.911 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3sccc3C(F)F)[nH+]c12 ZINC000820513902 1136995597 /nfs/dbraw/zinc/99/55/97/1136995597.db2.gz RWDBFKHNADTXKT-UHFFFAOYSA-N 1 2 335.379 3.614 20 0 EHADLO O=C(/C=C/C=C(Cl)Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001136388519 1137009379 /nfs/dbraw/zinc/00/93/79/1137009379.db2.gz VALNSWAYAQBJBC-HNQUOIGGSA-N 1 2 340.185 3.503 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)c1cccnc1 ZINC000821219060 1137020777 /nfs/dbraw/zinc/02/07/77/1137020777.db2.gz DFIPWWWOCRGDBF-SECBINFHSA-N 1 2 326.625 3.743 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001136468916 1137032090 /nfs/dbraw/zinc/03/20/90/1137032090.db2.gz INFFZLSZONMGSM-GOSISDBHSA-N 1 2 327.472 3.873 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccc(F)cc2F)c1C ZINC001136489803 1137037710 /nfs/dbraw/zinc/03/77/10/1137037710.db2.gz DZEXGXCUCMGWBL-UHFFFAOYSA-N 1 2 348.393 3.579 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000860042446 1137041555 /nfs/dbraw/zinc/04/15/55/1137041555.db2.gz GNBFJCSSQBPHDH-KUHUBIRLSA-N 1 2 336.439 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)cc1Cl)c1ccns1 ZINC000860058613 1137042623 /nfs/dbraw/zinc/04/26/23/1137042623.db2.gz GAKPVNSHCRTKOM-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000822536489 1137062761 /nfs/dbraw/zinc/06/27/61/1137062761.db2.gz SMZJEUFUDYUGMC-GOSISDBHSA-N 1 2 340.423 3.552 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc2ccc(Cl)nc2s1)n1cc[nH+]c1 ZINC000822561343 1137065023 /nfs/dbraw/zinc/06/50/23/1137065023.db2.gz XXMICRYPXLKKOD-LLVKDONJSA-N 1 2 349.847 3.767 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1C ZINC000822888137 1137077531 /nfs/dbraw/zinc/07/75/31/1137077531.db2.gz PIINIVDWRNPCQR-ROUUACIJSA-N 1 2 338.451 3.907 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822972715 1137081449 /nfs/dbraw/zinc/08/14/49/1137081449.db2.gz XNLNSPVJLOUOAK-UHFFFAOYSA-N 1 2 336.338 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC001137662313 1137091965 /nfs/dbraw/zinc/09/19/65/1137091965.db2.gz PVYHOTKYBSCMBR-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC001137662313 1137091967 /nfs/dbraw/zinc/09/19/67/1137091967.db2.gz PVYHOTKYBSCMBR-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO CCC[C@H](CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001136722985 1137100334 /nfs/dbraw/zinc/10/03/34/1137100334.db2.gz QCANCKNAFQUYPG-SJORKVTESA-N 1 2 332.488 3.727 20 0 EHADLO Nc1cn2ccc(NCc3cc(-c4cccc(Cl)c4)no3)cc2[nH+]1 ZINC001171020380 1137103179 /nfs/dbraw/zinc/10/31/79/1137103179.db2.gz PJVKAWJHOSJHBD-UHFFFAOYSA-N 1 2 339.786 3.837 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)nc1 ZINC001136741682 1137105750 /nfs/dbraw/zinc/10/57/50/1137105750.db2.gz NLJUOEYQTPBNBZ-HZPDHXFCSA-N 1 2 334.379 3.648 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)nc1 ZINC001136741682 1137105751 /nfs/dbraw/zinc/10/57/51/1137105751.db2.gz NLJUOEYQTPBNBZ-HZPDHXFCSA-N 1 2 334.379 3.648 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nn(CC)nc3C)oc21 ZINC000823608173 1137106563 /nfs/dbraw/zinc/10/65/63/1137106563.db2.gz DMIKVFUUSYBICN-CYBMUJFWSA-N 1 2 328.416 3.602 20 0 EHADLO CC[N@H+](CCS(=O)(=O)CC)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000118398787 1137113571 /nfs/dbraw/zinc/11/35/71/1137113571.db2.gz AAXFMDZUJDLHBB-IBGZPJMESA-N 1 2 349.471 3.672 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)CC)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000118398787 1137113573 /nfs/dbraw/zinc/11/35/73/1137113573.db2.gz AAXFMDZUJDLHBB-IBGZPJMESA-N 1 2 349.471 3.672 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2ccccn2)c1 ZINC000824050977 1137122652 /nfs/dbraw/zinc/12/26/52/1137122652.db2.gz PWASTCNDMLXTAC-OAQYLSRUSA-N 1 2 332.451 3.880 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000824241076 1137129836 /nfs/dbraw/zinc/12/98/36/1137129836.db2.gz SUZHKILQVGJVMT-LEWJYISDSA-N 1 2 345.446 3.909 20 0 EHADLO C[C@H]1C[C@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)CC[C@H]2O1 ZINC001136851003 1137131339 /nfs/dbraw/zinc/13/13/39/1137131339.db2.gz MSWADLJEEHXWGK-CCUNJIBTSA-N 1 2 346.215 3.727 20 0 EHADLO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)CC[C@H]2O1 ZINC001136851003 1137131340 /nfs/dbraw/zinc/13/13/40/1137131340.db2.gz MSWADLJEEHXWGK-CCUNJIBTSA-N 1 2 346.215 3.727 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC001136857390 1137132590 /nfs/dbraw/zinc/13/25/90/1137132590.db2.gz CQRBQBAAROSNPE-APWZRJJASA-N 1 2 340.471 3.694 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000862244906 1137134592 /nfs/dbraw/zinc/13/45/92/1137134592.db2.gz GQZJXDCAOSJVAZ-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000862244906 1137134594 /nfs/dbraw/zinc/13/45/94/1137134594.db2.gz GQZJXDCAOSJVAZ-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171057052 1137140524 /nfs/dbraw/zinc/14/05/24/1137140524.db2.gz SSLFDRAQPHMLKW-CYBMUJFWSA-N 1 2 345.826 3.983 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171057052 1137140526 /nfs/dbraw/zinc/14/05/26/1137140526.db2.gz SSLFDRAQPHMLKW-CYBMUJFWSA-N 1 2 345.826 3.983 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)ccn12 ZINC001136890593 1137141173 /nfs/dbraw/zinc/14/11/73/1137141173.db2.gz RWVJWSDDWTVMDD-CQSZACIVSA-N 1 2 346.390 3.789 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824527449 1137141461 /nfs/dbraw/zinc/14/14/61/1137141461.db2.gz WEFPPTXZBBFHGH-PBHICJAKSA-N 1 2 330.451 3.739 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1NCc1ccccc1)Cn1cc[nH+]c1 ZINC001136892272 1137141756 /nfs/dbraw/zinc/14/17/56/1137141756.db2.gz AJRGUJGSYAKSBJ-QGZVFWFLSA-N 1 2 348.450 3.561 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000862441479 1137144676 /nfs/dbraw/zinc/14/46/76/1137144676.db2.gz RPUDVOFXMRSAAN-CQSZACIVSA-N 1 2 341.361 3.632 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000862481703 1137146459 /nfs/dbraw/zinc/14/64/59/1137146459.db2.gz JSHGLKMTCCXPMH-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1nc(F)ccc1C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000862481703 1137146460 /nfs/dbraw/zinc/14/64/60/1137146460.db2.gz JSHGLKMTCCXPMH-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)cc1F ZINC000862541180 1137149321 /nfs/dbraw/zinc/14/93/21/1137149321.db2.gz NOBANMSJEKHPOO-GFCCVEGCSA-N 1 2 337.341 3.808 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)cc1F ZINC000862541180 1137149322 /nfs/dbraw/zinc/14/93/22/1137149322.db2.gz NOBANMSJEKHPOO-GFCCVEGCSA-N 1 2 337.341 3.808 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1c(Cl)nc3ccccn31)CC2 ZINC000824983307 1137160954 /nfs/dbraw/zinc/16/09/54/1137160954.db2.gz TZYZVCIOSQOQID-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1c(Cl)nc3ccccn31)CC2 ZINC000824983307 1137160955 /nfs/dbraw/zinc/16/09/55/1137160955.db2.gz TZYZVCIOSQOQID-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@@H+]1CCCc2sccc2C1 ZINC000863260433 1137178467 /nfs/dbraw/zinc/17/84/67/1137178467.db2.gz YLVPDYRYJLNHEV-MRXNPFEDSA-N 1 2 328.437 3.647 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@H+]1CCCc2sccc2C1 ZINC000863260433 1137178469 /nfs/dbraw/zinc/17/84/69/1137178469.db2.gz YLVPDYRYJLNHEV-MRXNPFEDSA-N 1 2 328.437 3.647 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CCCC4(CC4)CC3)c(=O)c2c(C)c1C ZINC000863331616 1137181398 /nfs/dbraw/zinc/18/13/98/1137181398.db2.gz PRHDRZHSSHXYDB-UHFFFAOYSA-N 1 2 331.485 3.607 20 0 EHADLO Cc1nc2sn(C[N@H+]3CCCC4(CC4)CC3)c(=O)c2c(C)c1C ZINC000863331616 1137181399 /nfs/dbraw/zinc/18/13/99/1137181399.db2.gz PRHDRZHSSHXYDB-UHFFFAOYSA-N 1 2 331.485 3.607 20 0 EHADLO COc1ccc(F)c(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1Cl ZINC001143371178 1137183569 /nfs/dbraw/zinc/18/35/69/1137183569.db2.gz INEITXMBVNQEJA-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c(F)c1Cl ZINC001143629180 1137184161 /nfs/dbraw/zinc/18/41/61/1137184161.db2.gz VXKUWAFFUMUTKV-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccc(C[N@H+]2CCCN(c3cccnc3)CC2)c(F)c1Cl ZINC001143629180 1137184162 /nfs/dbraw/zinc/18/41/62/1137184162.db2.gz VXKUWAFFUMUTKV-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Cc1ccnn1C1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143628327 1137184174 /nfs/dbraw/zinc/18/41/74/1137184174.db2.gz GOPHZJGFFPUWAS-UHFFFAOYSA-N 1 2 325.790 3.960 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@@H]1CO ZINC001143698625 1137190383 /nfs/dbraw/zinc/19/03/83/1137190383.db2.gz ILDUIQLLEZSZFF-GXFFZTMASA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@@H]1CO ZINC001143698625 1137190384 /nfs/dbraw/zinc/19/03/84/1137190384.db2.gz ILDUIQLLEZSZFF-GXFFZTMASA-N 1 2 337.769 3.831 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001143768091 1137196918 /nfs/dbraw/zinc/19/69/18/1137196918.db2.gz XZVSIMOMYOCATG-FQEVSTJZSA-N 1 2 328.406 3.688 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001143768091 1137196920 /nfs/dbraw/zinc/19/69/20/1137196920.db2.gz XZVSIMOMYOCATG-FQEVSTJZSA-N 1 2 328.406 3.688 20 0 EHADLO O=C1NCC2(CC[NH+](Cc3c(Cl)cc(Cl)cc3Cl)CC2)O1 ZINC001143801455 1137200874 /nfs/dbraw/zinc/20/08/74/1137200874.db2.gz VLNLRXUNRPWTJL-UHFFFAOYSA-N 1 2 349.645 3.721 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)ccc(F)c2Br)[C@@](C)(CO)C1 ZINC001143812912 1137202728 /nfs/dbraw/zinc/20/27/28/1137202728.db2.gz HDILIRUIRNBSKZ-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)ccc(F)c2Br)[C@@](C)(CO)C1 ZINC001143812912 1137202729 /nfs/dbraw/zinc/20/27/29/1137202729.db2.gz HDILIRUIRNBSKZ-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO COc1c(F)cc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)cc1Cl ZINC001143838954 1137204735 /nfs/dbraw/zinc/20/47/35/1137204735.db2.gz GTAXQMHTEDPZPH-LBPRGKRZSA-N 1 2 339.798 3.559 20 0 EHADLO COc1c(F)cc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)cc1Cl ZINC001143838954 1137204737 /nfs/dbraw/zinc/20/47/37/1137204737.db2.gz GTAXQMHTEDPZPH-LBPRGKRZSA-N 1 2 339.798 3.559 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000863899534 1137206610 /nfs/dbraw/zinc/20/66/10/1137206610.db2.gz MGJISQYMFPNNSZ-QRVBRYPASA-N 1 2 349.434 3.754 20 0 EHADLO CN1CC2(CC1=O)CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866816 1137206609 /nfs/dbraw/zinc/20/66/09/1137206609.db2.gz LRILPRUPPIVGOM-UHFFFAOYSA-N 1 2 345.245 3.577 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccnc3C2)cc1OC(F)(F)F ZINC001143879235 1137208141 /nfs/dbraw/zinc/20/81/41/1137208141.db2.gz CQHFFHNBFZBHKR-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccnc3C2)cc1OC(F)(F)F ZINC001143879235 1137208142 /nfs/dbraw/zinc/20/81/42/1137208142.db2.gz CQHFFHNBFZBHKR-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)nc1 ZINC001143961050 1137219278 /nfs/dbraw/zinc/21/92/78/1137219278.db2.gz GRENZZWNEZAHDP-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)nc1 ZINC001143961050 1137219279 /nfs/dbraw/zinc/21/92/79/1137219279.db2.gz GRENZZWNEZAHDP-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001143984264 1137221003 /nfs/dbraw/zinc/22/10/03/1137221003.db2.gz QYOCXCCJMDOPQS-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001143984264 1137221004 /nfs/dbraw/zinc/22/10/04/1137221004.db2.gz QYOCXCCJMDOPQS-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844441207 1137223444 /nfs/dbraw/zinc/22/34/44/1137223444.db2.gz YZNGKBBYBCEOQJ-MLGOLLRUSA-N 1 2 326.362 3.582 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844441207 1137223445 /nfs/dbraw/zinc/22/34/45/1137223445.db2.gz YZNGKBBYBCEOQJ-MLGOLLRUSA-N 1 2 326.362 3.582 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ccccc1Br)n1cc[nH+]c1 ZINC000844479744 1137225131 /nfs/dbraw/zinc/22/51/31/1137225131.db2.gz QVMWCWHVBJZVTJ-VXGBXAGGSA-N 1 2 337.217 3.901 20 0 EHADLO C[N@H+](Cn1nc(N2CCCC2)sc1=S)[C@@H]1CCC(C)(C)C1 ZINC000794684742 1137226490 /nfs/dbraw/zinc/22/64/90/1137226490.db2.gz YYCYFCJVYSVGNA-GFCCVEGCSA-N 1 2 326.535 3.742 20 0 EHADLO C[N@@H+](Cn1nc(N2CCCC2)sc1=S)[C@@H]1CCC(C)(C)C1 ZINC000794684742 1137226491 /nfs/dbraw/zinc/22/64/91/1137226491.db2.gz YYCYFCJVYSVGNA-GFCCVEGCSA-N 1 2 326.535 3.742 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000844473617 1137227282 /nfs/dbraw/zinc/22/72/82/1137227282.db2.gz JDELQOPRQVZTCL-INIZCTEOSA-N 1 2 345.439 3.654 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000844473617 1137227283 /nfs/dbraw/zinc/22/72/83/1137227283.db2.gz JDELQOPRQVZTCL-INIZCTEOSA-N 1 2 345.439 3.654 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1)n1cc[nH+]c1 ZINC000844513689 1137232469 /nfs/dbraw/zinc/23/24/69/1137232469.db2.gz VRJVGYZTWPQAKB-MNOVXSKESA-N 1 2 327.306 3.552 20 0 EHADLO CC(C)[N@H+](CC1CC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686202 1137246979 /nfs/dbraw/zinc/24/69/79/1137246979.db2.gz KXHWYAMLOQVBEL-UHFFFAOYSA-N 1 2 337.876 3.703 20 0 EHADLO CC(C)[N@@H+](CC1CC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844686202 1137246980 /nfs/dbraw/zinc/24/69/80/1137246980.db2.gz KXHWYAMLOQVBEL-UHFFFAOYSA-N 1 2 337.876 3.703 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000120260850 1137248935 /nfs/dbraw/zinc/24/89/35/1137248935.db2.gz NXDOCMRRPRJJSH-INIZCTEOSA-N 1 2 328.485 3.758 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000120260850 1137248937 /nfs/dbraw/zinc/24/89/37/1137248937.db2.gz NXDOCMRRPRJJSH-INIZCTEOSA-N 1 2 328.485 3.758 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1Br ZINC001144231931 1137257592 /nfs/dbraw/zinc/25/75/92/1137257592.db2.gz ANXNSXDCOWEUTK-JTQLQIEISA-N 1 2 338.167 3.842 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1Br ZINC001144231931 1137257593 /nfs/dbraw/zinc/25/75/93/1137257593.db2.gz ANXNSXDCOWEUTK-JTQLQIEISA-N 1 2 338.167 3.842 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000865067284 1137261343 /nfs/dbraw/zinc/26/13/43/1137261343.db2.gz SBSPKMTZEZXXED-WAYWQWQTSA-N 1 2 349.356 3.779 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(F)c(C=O)c3)c2C1 ZINC000865135217 1137264480 /nfs/dbraw/zinc/26/44/80/1137264480.db2.gz IMHVBSWLUPEDOG-UHFFFAOYSA-N 1 2 326.371 3.616 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(F)c(C=O)c3)c2C1 ZINC000865135217 1137264481 /nfs/dbraw/zinc/26/44/81/1137264481.db2.gz IMHVBSWLUPEDOG-UHFFFAOYSA-N 1 2 326.371 3.616 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140841 1137265015 /nfs/dbraw/zinc/26/50/15/1137265015.db2.gz KPIYKKRJYNJXKB-GDBMZVCRSA-N 1 2 329.419 3.524 20 0 EHADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2ccccc2c1Br ZINC001144308322 1137271190 /nfs/dbraw/zinc/27/11/90/1137271190.db2.gz LQWAKVKVNMZXNJ-KBPBESRZSA-N 1 2 338.220 3.507 20 0 EHADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc2ccccc2c1Br ZINC001144308322 1137271191 /nfs/dbraw/zinc/27/11/91/1137271191.db2.gz LQWAKVKVNMZXNJ-KBPBESRZSA-N 1 2 338.220 3.507 20 0 EHADLO Cc1nc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144378372 1137279362 /nfs/dbraw/zinc/27/93/62/1137279362.db2.gz IAAIXVUWPVBJCM-SMDDNHRTSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144378372 1137279363 /nfs/dbraw/zinc/27/93/63/1137279363.db2.gz IAAIXVUWPVBJCM-SMDDNHRTSA-N 1 2 339.505 3.638 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccnc1F)c1cccc(C(F)(F)F)c1 ZINC000794836856 1137283641 /nfs/dbraw/zinc/28/36/41/1137283641.db2.gz ROODHTBWBOPXDH-CQSZACIVSA-N 1 2 328.309 3.717 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000865466687 1137286261 /nfs/dbraw/zinc/28/62/61/1137286261.db2.gz ABIQUJSGXMRJGO-QGZVFWFLSA-N 1 2 335.394 3.965 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc(C(F)(F)F)c1 ZINC000865468931 1137286720 /nfs/dbraw/zinc/28/67/20/1137286720.db2.gz MUOHBFQKSSXPEP-MRXNPFEDSA-N 1 2 339.361 3.714 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001144425648 1137289925 /nfs/dbraw/zinc/28/99/25/1137289925.db2.gz WJVKQGWRSVHFSE-RDJZCZTQSA-N 1 2 336.426 3.512 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)nn1 ZINC000865544846 1137293663 /nfs/dbraw/zinc/29/36/63/1137293663.db2.gz ILFNYOWCWLMXIA-HNNXBMFYSA-N 1 2 326.366 3.780 20 0 EHADLO CC[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1cc(C)ccc1OC ZINC000845500551 1137295273 /nfs/dbraw/zinc/29/52/73/1137295273.db2.gz LHLTXYXQAAIAMR-KRWDZBQOSA-N 1 2 342.439 3.773 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001144531393 1137305886 /nfs/dbraw/zinc/30/58/86/1137305886.db2.gz AZUUFMSBPAOVSI-INIZCTEOSA-N 1 2 336.357 3.892 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001144531393 1137305888 /nfs/dbraw/zinc/30/58/88/1137305888.db2.gz AZUUFMSBPAOVSI-INIZCTEOSA-N 1 2 336.357 3.892 20 0 EHADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)CCc2ccccc21 ZINC000845720002 1137306417 /nfs/dbraw/zinc/30/64/17/1137306417.db2.gz GGUFCKIDLVVRPU-CQSZACIVSA-N 1 2 335.455 3.748 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cccnc1Cl ZINC000865730756 1137307248 /nfs/dbraw/zinc/30/72/48/1137307248.db2.gz YGKVWTHDGLVCOR-UHFFFAOYSA-N 1 2 332.831 3.980 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(F)c1 ZINC001144553589 1137308596 /nfs/dbraw/zinc/30/85/96/1137308596.db2.gz JNFSHLXEGNUKGA-UHFFFAOYSA-N 1 2 337.410 3.842 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)on1 ZINC000865764570 1137309826 /nfs/dbraw/zinc/30/98/26/1137309826.db2.gz GKBFKFDMGNMJEY-UHFFFAOYSA-N 1 2 340.379 3.710 20 0 EHADLO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144561274 1137310053 /nfs/dbraw/zinc/31/00/53/1137310053.db2.gz DXOYCDAJKLWGBV-ZDUSSCGKSA-N 1 2 349.377 3.624 20 0 EHADLO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144561274 1137310054 /nfs/dbraw/zinc/31/00/54/1137310054.db2.gz DXOYCDAJKLWGBV-ZDUSSCGKSA-N 1 2 349.377 3.624 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC001144567563 1137311536 /nfs/dbraw/zinc/31/15/36/1137311536.db2.gz RMDAATMMRXLZCA-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC001144567563 1137311538 /nfs/dbraw/zinc/31/15/38/1137311538.db2.gz RMDAATMMRXLZCA-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO Cc1cc2c(CC(=O)NCCCCn3cc[nH+]c3)csc2s1 ZINC000865804563 1137312964 /nfs/dbraw/zinc/31/29/64/1137312964.db2.gz AYLGPCDAUSOCTQ-UHFFFAOYSA-N 1 2 333.482 3.607 20 0 EHADLO O=C(CCc1ccc(F)c2ccccc12)NCCCCn1cc[nH+]c1 ZINC000865804648 1137313114 /nfs/dbraw/zinc/31/31/14/1137313114.db2.gz DCIFDBIYQRFNCD-UHFFFAOYSA-N 1 2 339.414 3.705 20 0 EHADLO C[C@H]1OC2(CCN(Cc3[nH+]cn4ccccc34)CC2)c2ccccc21 ZINC001144630496 1137320750 /nfs/dbraw/zinc/32/07/50/1137320750.db2.gz JKAZVQXRAUGCTG-MRXNPFEDSA-N 1 2 333.435 3.917 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC(C)(C)[C@H]1c1ccco1 ZINC000865999805 1137323942 /nfs/dbraw/zinc/32/39/42/1137323942.db2.gz YIJKILIGXOUKFR-CQSZACIVSA-N 1 2 325.416 3.762 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002409 1137324018 /nfs/dbraw/zinc/32/40/18/1137324018.db2.gz WKYKCVOKFVIRAY-PXNSSMCTSA-N 1 2 327.472 3.540 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C2(CCC2)CO1 ZINC000846067638 1137332590 /nfs/dbraw/zinc/33/25/90/1137332590.db2.gz VHPUHWZSNHONGK-AWEZNQCLSA-N 1 2 347.459 3.572 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C2(CCC2)CO1 ZINC000846067638 1137332592 /nfs/dbraw/zinc/33/25/92/1137332592.db2.gz VHPUHWZSNHONGK-AWEZNQCLSA-N 1 2 347.459 3.572 20 0 EHADLO O=C1C[N@@H+](Cc2cccc3cc[nH]c32)CCN1c1cccc(Cl)c1 ZINC001144718417 1137334642 /nfs/dbraw/zinc/33/46/42/1137334642.db2.gz MUBSZHLABVYRQF-UHFFFAOYSA-N 1 2 339.826 3.670 20 0 EHADLO O=C1C[N@H+](Cc2cccc3cc[nH]c32)CCN1c1cccc(Cl)c1 ZINC001144718417 1137334644 /nfs/dbraw/zinc/33/46/44/1137334644.db2.gz MUBSZHLABVYRQF-UHFFFAOYSA-N 1 2 339.826 3.670 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2c(ccnc2Cl)o1 ZINC000866214884 1137335797 /nfs/dbraw/zinc/33/57/97/1137335797.db2.gz HGYVGQGJHPBEDU-NSHDSACASA-N 1 2 345.834 3.650 20 0 EHADLO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000866237296 1137337595 /nfs/dbraw/zinc/33/75/95/1137337595.db2.gz IZJAKRQRMLWAIW-FXAWDEMLSA-N 1 2 341.430 3.633 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)nc1 ZINC001144732149 1137339424 /nfs/dbraw/zinc/33/94/24/1137339424.db2.gz NUMVXXJIUZLCRC-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)nc1 ZINC001144732149 1137339425 /nfs/dbraw/zinc/33/94/25/1137339425.db2.gz NUMVXXJIUZLCRC-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2scnc2c1 ZINC001144734954 1137340172 /nfs/dbraw/zinc/34/01/72/1137340172.db2.gz RSCJRVHVNSPIFW-ZDUSSCGKSA-N 1 2 347.484 3.738 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2scnc2c1 ZINC001144734954 1137340173 /nfs/dbraw/zinc/34/01/73/1137340173.db2.gz RSCJRVHVNSPIFW-ZDUSSCGKSA-N 1 2 347.484 3.738 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+][C@H]2c3ccccc3OC[C@@H]2F)c2ccccc21 ZINC000866313014 1137344920 /nfs/dbraw/zinc/34/49/20/1137344920.db2.gz UGZGEYXSHWAQBB-ZWOKBUDYSA-N 1 2 340.398 3.546 20 0 EHADLO C[C@@H](CCc1cccnc1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000866335048 1137346801 /nfs/dbraw/zinc/34/68/01/1137346801.db2.gz ZRKYJSPXJVFMDL-DLBZAZTESA-N 1 2 325.456 3.740 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(-c2ccccc2)n1 ZINC000866335920 1137347136 /nfs/dbraw/zinc/34/71/36/1137347136.db2.gz MLUMRKDWRXIMKL-YLJYHZDGSA-N 1 2 337.398 3.649 20 0 EHADLO COCCCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866359496 1137349043 /nfs/dbraw/zinc/34/90/43/1137349043.db2.gz SYGHNTXAAWEYLC-UYAOXDASSA-N 1 2 345.414 3.663 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)o1 ZINC000866558723 1137364360 /nfs/dbraw/zinc/36/43/60/1137364360.db2.gz SGJLNWFEUHGWFM-LLVKDONJSA-N 1 2 327.350 3.990 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000866581456 1137366550 /nfs/dbraw/zinc/36/65/50/1137366550.db2.gz ILNAXTILXAGBNR-MDZRGWNJSA-N 1 2 343.446 3.701 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cn1 ZINC000866619580 1137370023 /nfs/dbraw/zinc/37/00/23/1137370023.db2.gz FHKWTYIEFNAYCF-CYBMUJFWSA-N 1 2 344.253 3.927 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nc(-c2ccccc2C)no1)OCC ZINC000846970860 1137377701 /nfs/dbraw/zinc/37/77/01/1137377701.db2.gz MCXANHOJKRZZHL-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nc(-c2ccccc2C)no1)OCC ZINC000846970860 1137377702 /nfs/dbraw/zinc/37/77/02/1137377702.db2.gz MCXANHOJKRZZHL-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO CC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000846953246 1137378878 /nfs/dbraw/zinc/37/88/78/1137378878.db2.gz WOXJVXQGNQIJCY-OAHLLOKOSA-N 1 2 330.472 3.746 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CSc2ccccc21 ZINC001147472476 1137407105 /nfs/dbraw/zinc/40/71/05/1137407105.db2.gz ZHKYHWYSGBNEFE-DLBZAZTESA-N 1 2 349.459 3.895 20 0 EHADLO COc1cccc2[nH+]c(N[C@@H]3COc4cccc(OC)c4C3)ccc21 ZINC001171310890 1137408114 /nfs/dbraw/zinc/40/81/14/1137408114.db2.gz GAXHOJIZBLPTQP-ZDUSSCGKSA-N 1 2 336.391 3.668 20 0 EHADLO COc1cccc2c1C[C@H](Nc1cc(-c3ccncc3)cc[nH+]1)CO2 ZINC001171313500 1137410937 /nfs/dbraw/zinc/41/09/37/1137410937.db2.gz WDAQNFFVSPPWQP-INIZCTEOSA-N 1 2 333.391 3.568 20 0 EHADLO COc1ccc(Nc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)cc1 ZINC001147891434 1137413789 /nfs/dbraw/zinc/41/37/89/1137413789.db2.gz RPNAGJIYYKGDSN-UHFFFAOYSA-N 1 2 336.395 3.733 20 0 EHADLO COc1ccc(Nc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)cc1 ZINC001147891434 1137413790 /nfs/dbraw/zinc/41/37/90/1137413790.db2.gz RPNAGJIYYKGDSN-UHFFFAOYSA-N 1 2 336.395 3.733 20 0 EHADLO CCCCCCNC(=O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122225349 1137415842 /nfs/dbraw/zinc/41/58/42/1137415842.db2.gz PGBFLAOBVJLKNG-CQSZACIVSA-N 1 2 325.522 3.703 20 0 EHADLO CCCCCCNC(=O)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122225349 1137415843 /nfs/dbraw/zinc/41/58/43/1137415843.db2.gz PGBFLAOBVJLKNG-CQSZACIVSA-N 1 2 325.522 3.703 20 0 EHADLO Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc12 ZINC001148140421 1137418412 /nfs/dbraw/zinc/41/84/12/1137418412.db2.gz SGTSYUBAXBLHJG-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CC(C)Sc1c(Cl)cccc1NC(=O)NCCn1cc[nH+]c1 ZINC000173583823 1137434024 /nfs/dbraw/zinc/43/40/24/1137434024.db2.gz NFYSXTQWIFIFCF-UHFFFAOYSA-N 1 2 338.864 3.859 20 0 EHADLO CCO[C@H]1C[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1(CC)CC ZINC001148989405 1137439284 /nfs/dbraw/zinc/43/92/84/1137439284.db2.gz XYXQHSFNTQUHEE-IRXDYDNUSA-N 1 2 329.444 3.619 20 0 EHADLO CC1(C)C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1(C)C ZINC000348097793 1137440051 /nfs/dbraw/zinc/44/00/51/1137440051.db2.gz UVGPFLFFWVHAOR-UHFFFAOYSA-N 1 2 341.455 3.718 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c(F)cn1 ZINC000348106030 1137441365 /nfs/dbraw/zinc/44/13/65/1137441365.db2.gz PJSBWJOEPATJAB-CYBMUJFWSA-N 1 2 345.418 3.797 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000348175409 1137450516 /nfs/dbraw/zinc/45/05/16/1137450516.db2.gz SVFNTGGFUCUKGY-IHGORAQCSA-N 1 2 335.398 3.564 20 0 EHADLO Cc1cc(N2CCCC[C@H]2c2nnc(C(C)C)[nH]2)nc(C(C)C)[nH+]1 ZINC000348185260 1137451691 /nfs/dbraw/zinc/45/16/91/1137451691.db2.gz JFQNVBOVDUGXIQ-AWEZNQCLSA-N 1 2 328.464 3.882 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347352 1137455920 /nfs/dbraw/zinc/45/59/20/1137455920.db2.gz VOBJORIHEXBVDS-ZDUSSCGKSA-N 1 2 325.399 3.532 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349226 1137455992 /nfs/dbraw/zinc/45/59/92/1137455992.db2.gz GUCCPVKAIHLSOL-CRAIPNDOSA-N 1 2 337.410 3.534 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380957 1137464771 /nfs/dbraw/zinc/46/47/71/1137464771.db2.gz PUFGQUAQPJEPNH-PBHICJAKSA-N 1 2 337.410 3.628 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380957 1137464773 /nfs/dbraw/zinc/46/47/73/1137464773.db2.gz PUFGQUAQPJEPNH-PBHICJAKSA-N 1 2 337.410 3.628 20 0 EHADLO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000870270412 1137485008 /nfs/dbraw/zinc/48/50/08/1137485008.db2.gz FGXRMDRAVVJIDB-UHFFFAOYSA-N 1 2 336.863 3.526 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323697 1137489660 /nfs/dbraw/zinc/48/96/60/1137489660.db2.gz ZQYFAWTUDOAUHB-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323697 1137489661 /nfs/dbraw/zinc/48/96/61/1137489661.db2.gz ZQYFAWTUDOAUHB-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO O=C(CC[N@H+]1CCc2sc(Cl)cc2C1)OCc1ccccc1 ZINC001171532830 1137493825 /nfs/dbraw/zinc/49/38/25/1137493825.db2.gz JQKIRQYQSBMSSF-UHFFFAOYSA-N 1 2 335.856 3.893 20 0 EHADLO O=C(CC[N@@H+]1CCc2sc(Cl)cc2C1)OCc1ccccc1 ZINC001171532830 1137493826 /nfs/dbraw/zinc/49/38/26/1137493826.db2.gz JQKIRQYQSBMSSF-UHFFFAOYSA-N 1 2 335.856 3.893 20 0 EHADLO Cc1cc2cc(NC[C@@H]3CCC(=O)N(Cc4ccccc4)C3)[nH+]cc2[nH]1 ZINC001171523078 1137496251 /nfs/dbraw/zinc/49/62/51/1137496251.db2.gz WWZHKDCVDWUVJP-KRWDZBQOSA-N 1 2 348.450 3.722 20 0 EHADLO Cc1cccc(CC[NH2+]C2(C(=O)OC(C)(C)C)CCCCCC2)n1 ZINC001171718338 1137505778 /nfs/dbraw/zinc/50/57/78/1137505778.db2.gz DASVFWJUOFTRTA-UHFFFAOYSA-N 1 2 332.488 3.957 20 0 EHADLO COC/C(C)=C/C[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001171739990 1137511371 /nfs/dbraw/zinc/51/13/71/1137511371.db2.gz AABYPEGLSBRGNS-WLRTZDKTSA-N 1 2 329.271 3.708 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(Cl)cc2)CC12CCC2 ZINC001171906311 1137517674 /nfs/dbraw/zinc/51/76/74/1137517674.db2.gz JQTISSZNOVRUHN-KRWDZBQOSA-N 1 2 325.811 3.597 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccc(Cl)cc2)CC12CCC2 ZINC001171906311 1137517676 /nfs/dbraw/zinc/51/76/76/1137517676.db2.gz JQTISSZNOVRUHN-KRWDZBQOSA-N 1 2 325.811 3.597 20 0 EHADLO CCC1(CC)CCC[N@@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001171949094 1137522474 /nfs/dbraw/zinc/52/24/74/1137522474.db2.gz MJLOPJKGVPYQDV-SFHVURJKSA-N 1 2 349.471 3.820 20 0 EHADLO CCC1(CC)CCC[N@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001171949094 1137522475 /nfs/dbraw/zinc/52/24/75/1137522475.db2.gz MJLOPJKGVPYQDV-SFHVURJKSA-N 1 2 349.471 3.820 20 0 EHADLO FC1(F)CN([C@H]2CSc3ccccc3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001172208970 1137541308 /nfs/dbraw/zinc/54/13/08/1137541308.db2.gz VIHSTGKWHZEGLL-WBVHZDCISA-N 1 2 338.467 3.509 20 0 EHADLO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CC(C)(F)C2)CC1 ZINC001172213762 1137541661 /nfs/dbraw/zinc/54/16/61/1137541661.db2.gz QXSFBEIRQLCRAS-UHFFFAOYSA-N 1 2 339.838 3.737 20 0 EHADLO CC(C)OC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCC1 ZINC000871828037 1137559301 /nfs/dbraw/zinc/55/93/01/1137559301.db2.gz FDQBKXZFMNNVGC-UHFFFAOYSA-N 1 2 338.411 3.786 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000123840789 1137562481 /nfs/dbraw/zinc/56/24/81/1137562481.db2.gz PMOFGZBYZDNCAO-HZPDHXFCSA-N 1 2 346.475 3.540 20 0 EHADLO CC(C)(C)c1cn(C[C@H](O)CO[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000871988450 1137564171 /nfs/dbraw/zinc/56/41/71/1137564171.db2.gz CIMAWLCNOBGTNQ-WMZOPIPTSA-N 1 2 328.456 3.636 20 0 EHADLO c1cn(CCOc2ccccc2N[C@@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000872058529 1137568595 /nfs/dbraw/zinc/56/85/95/1137568595.db2.gz AMYXBSJFQDIEIE-QGZVFWFLSA-N 1 2 341.455 3.866 20 0 EHADLO CC[C@H](CCC(F)(F)F)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000872062284 1137569080 /nfs/dbraw/zinc/56/90/80/1137569080.db2.gz FQUZFIHJIDUBMQ-GFCCVEGCSA-N 1 2 342.365 3.594 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)on1 ZINC000872091609 1137570924 /nfs/dbraw/zinc/57/09/24/1137570924.db2.gz IFFSMMBPVUHMBU-INIZCTEOSA-N 1 2 338.354 3.616 20 0 EHADLO CCS[C@@H](C)c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872176632 1137575327 /nfs/dbraw/zinc/57/53/27/1137575327.db2.gz WJIYMYNGVPNXSG-KWQFWETISA-N 1 2 331.363 3.951 20 0 EHADLO CCSCCCc1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872180304 1137575378 /nfs/dbraw/zinc/57/53/78/1137575378.db2.gz ODWPPUPHVCYNDL-CYBMUJFWSA-N 1 2 345.390 3.822 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2C[C@H](C3CCCCC3)CC2=O)on1 ZINC000872560321 1137581536 /nfs/dbraw/zinc/58/15/36/1137581536.db2.gz KACSWMBBRYWHNS-SJORKVTESA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CN2C[C@H](C3CCCCC3)CC2=O)on1 ZINC000872560321 1137581537 /nfs/dbraw/zinc/58/15/37/1137581537.db2.gz KACSWMBBRYWHNS-SJORKVTESA-N 1 2 331.460 3.506 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(C(F)(F)F)nc1 ZINC000872766948 1137584156 /nfs/dbraw/zinc/58/41/56/1137584156.db2.gz YHEIGLQEXWGZTL-LLVKDONJSA-N 1 2 337.349 3.664 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(C(F)(F)F)nc1 ZINC000872766948 1137584157 /nfs/dbraw/zinc/58/41/57/1137584157.db2.gz YHEIGLQEXWGZTL-LLVKDONJSA-N 1 2 337.349 3.664 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2ccncc2)n(C)c1=S)C(C)(C)C ZINC000872819028 1137585030 /nfs/dbraw/zinc/58/50/30/1137585030.db2.gz XUTPGPRWFQAHNR-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2ccncc2)n(C)c1=S)C(C)(C)C ZINC000872819028 1137585031 /nfs/dbraw/zinc/58/50/31/1137585031.db2.gz XUTPGPRWFQAHNR-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000872818364 1137585073 /nfs/dbraw/zinc/58/50/73/1137585073.db2.gz JQXWWDJGGOIBKY-ZDUSSCGKSA-N 1 2 349.425 3.760 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000872818364 1137585074 /nfs/dbraw/zinc/58/50/74/1137585074.db2.gz JQXWWDJGGOIBKY-ZDUSSCGKSA-N 1 2 349.425 3.760 20 0 EHADLO O=C(O[C@@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000873578040 1137603339 /nfs/dbraw/zinc/60/33/39/1137603339.db2.gz FZOSFLZNODGKOZ-QGZVFWFLSA-N 1 2 326.396 3.521 20 0 EHADLO CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(C)cc1 ZINC000873982088 1137608743 /nfs/dbraw/zinc/60/87/43/1137608743.db2.gz XZGBCVNGIBLFTO-AWEZNQCLSA-N 1 2 325.334 3.738 20 0 EHADLO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)O1 ZINC001137865913 1137608810 /nfs/dbraw/zinc/60/88/10/1137608810.db2.gz PEQGLYGZQQHFJU-HNNXBMFYSA-N 1 2 331.309 3.516 20 0 EHADLO O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)O1 ZINC001137865913 1137608811 /nfs/dbraw/zinc/60/88/11/1137608811.db2.gz PEQGLYGZQQHFJU-HNNXBMFYSA-N 1 2 331.309 3.516 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000874324921 1137613028 /nfs/dbraw/zinc/61/30/28/1137613028.db2.gz ULIYKXGYEVSHJS-QZTJIDSGSA-N 1 2 325.456 3.693 20 0 EHADLO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000875097427 1137629091 /nfs/dbraw/zinc/62/90/91/1137629091.db2.gz KKYRMXQJVGISQU-CQSZACIVSA-N 1 2 335.448 3.591 20 0 EHADLO CN(C[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1)C(=O)OC(C)(C)C ZINC000125348549 1137630942 /nfs/dbraw/zinc/63/09/42/1137630942.db2.gz WRNSPHAJAFHZRL-YFBAIUBQSA-N 1 2 337.291 3.884 20 0 EHADLO CN(C[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1)C(=O)OC(C)(C)C ZINC000125348549 1137630943 /nfs/dbraw/zinc/63/09/43/1137630943.db2.gz WRNSPHAJAFHZRL-YFBAIUBQSA-N 1 2 337.291 3.884 20 0 EHADLO COc1ccc(C(F)(F)C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000125521456 1137636746 /nfs/dbraw/zinc/63/67/46/1137636746.db2.gz MLJVOXHSITUZPL-UHFFFAOYSA-N 1 2 343.333 3.816 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000875903551 1137640375 /nfs/dbraw/zinc/64/03/75/1137640375.db2.gz JBQYFMQMPQWPFX-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO CCc1ccc(Br)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000876481776 1137653563 /nfs/dbraw/zinc/65/35/63/1137653563.db2.gz CDUJFZPGWBMEOV-NSHDSACASA-N 1 2 336.233 3.798 20 0 EHADLO CC(C)[N@H+](Cc1ccco1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876567704 1137655681 /nfs/dbraw/zinc/65/56/81/1137655681.db2.gz PWSWIUBISNYXKA-UHFFFAOYSA-N 1 2 346.431 3.827 20 0 EHADLO CC(C)[N@@H+](Cc1ccco1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876567704 1137655682 /nfs/dbraw/zinc/65/56/82/1137655682.db2.gz PWSWIUBISNYXKA-UHFFFAOYSA-N 1 2 346.431 3.827 20 0 EHADLO CCOP(=O)(CCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1)OCC ZINC000876627002 1137657606 /nfs/dbraw/zinc/65/76/06/1137657606.db2.gz APGQHSXQEPFZBS-CQSZACIVSA-N 1 2 345.380 3.561 20 0 EHADLO CCOP(=O)(CCC[N@H+]1CCCC[C@@H]1c1noc(C)n1)OCC ZINC000876627002 1137657607 /nfs/dbraw/zinc/65/76/07/1137657607.db2.gz APGQHSXQEPFZBS-CQSZACIVSA-N 1 2 345.380 3.561 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000876738673 1137659995 /nfs/dbraw/zinc/65/99/95/1137659995.db2.gz JMHYFPYGKRIFQD-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000876738673 1137659996 /nfs/dbraw/zinc/65/99/96/1137659996.db2.gz JMHYFPYGKRIFQD-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C)c(NC(C)=O)c2C)c1C ZINC000876825297 1137662906 /nfs/dbraw/zinc/66/29/06/1137662906.db2.gz YRHQJGGXMACPDO-UHFFFAOYSA-N 1 2 327.428 3.894 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCCC3=O)c(F)c2)c1C ZINC000876864849 1137664221 /nfs/dbraw/zinc/66/42/21/1137664221.db2.gz WFQFOZAQHNQBRX-UHFFFAOYSA-N 1 2 343.402 3.585 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3nc(Cl)cs3)C2=O)c(C)c1 ZINC000877470787 1137677262 /nfs/dbraw/zinc/67/72/62/1137677262.db2.gz MDXQAMUZBUETDJ-CYBMUJFWSA-N 1 2 349.887 3.617 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000877507101 1137679019 /nfs/dbraw/zinc/67/90/19/1137679019.db2.gz KRLYXCPPSZNWNO-QWHCGFSZSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000877507101 1137679020 /nfs/dbraw/zinc/67/90/20/1137679020.db2.gz KRLYXCPPSZNWNO-QWHCGFSZSA-N 1 2 345.668 3.641 20 0 EHADLO CCCn1cc(C[N@H+](CC)Cc2cccc(-c3ccncc3)c2)nn1 ZINC000877527065 1137679686 /nfs/dbraw/zinc/67/96/86/1137679686.db2.gz KVEJBBZBHLVNEC-UHFFFAOYSA-N 1 2 335.455 3.772 20 0 EHADLO CCCn1cc(C[N@@H+](CC)Cc2cccc(-c3ccncc3)c2)nn1 ZINC000877527065 1137679687 /nfs/dbraw/zinc/67/96/87/1137679687.db2.gz KVEJBBZBHLVNEC-UHFFFAOYSA-N 1 2 335.455 3.772 20 0 EHADLO CCOc1cccc(F)c1C[N@H+](CCCOC)Cc1ccncc1 ZINC000877527302 1137679866 /nfs/dbraw/zinc/67/98/66/1137679866.db2.gz YGBJYKQUYLQLJA-UHFFFAOYSA-N 1 2 332.419 3.658 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+](CCCOC)Cc1ccncc1 ZINC000877527302 1137679867 /nfs/dbraw/zinc/67/98/67/1137679867.db2.gz YGBJYKQUYLQLJA-UHFFFAOYSA-N 1 2 332.419 3.658 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cc(F)ncc1F ZINC000877698357 1137686105 /nfs/dbraw/zinc/68/61/05/1137686105.db2.gz KARVZVSVZUQTNI-UHFFFAOYSA-N 1 2 334.366 3.605 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000877753514 1137688028 /nfs/dbraw/zinc/68/80/28/1137688028.db2.gz FZJKKQGGIZXLNZ-UHFFFAOYSA-N 1 2 336.785 3.737 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](Cc3ncc(C(F)(F)F)s3)C2)n1 ZINC000877814337 1137691247 /nfs/dbraw/zinc/69/12/47/1137691247.db2.gz QMHFFZWBIZVJRV-VIFPVBQESA-N 1 2 333.404 3.916 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](Cc3ncc(C(F)(F)F)s3)C2)n1 ZINC000877814337 1137691248 /nfs/dbraw/zinc/69/12/48/1137691248.db2.gz QMHFFZWBIZVJRV-VIFPVBQESA-N 1 2 333.404 3.916 20 0 EHADLO COc1ccccc1-c1nc(C[NH+]2CCN(c3ccccc3)CC2)co1 ZINC000877911417 1137695261 /nfs/dbraw/zinc/69/52/61/1137695261.db2.gz IEGYJUCILJCDBD-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2coc(-c3ccccc3OC)n2)cc1 ZINC000877938905 1137696326 /nfs/dbraw/zinc/69/63/26/1137696326.db2.gz OLAHJLRBHRIFAZ-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2coc(-c3ccccc3OC)n2)cc1 ZINC000877938905 1137696327 /nfs/dbraw/zinc/69/63/27/1137696327.db2.gz OLAHJLRBHRIFAZ-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)s1 ZINC000877960066 1137697187 /nfs/dbraw/zinc/69/71/87/1137697187.db2.gz DZCQRFHZVPMPMA-INIZCTEOSA-N 1 2 345.468 3.832 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCCCC[C@H]2c2ccncc2)s1 ZINC000877960066 1137697188 /nfs/dbraw/zinc/69/71/88/1137697188.db2.gz DZCQRFHZVPMPMA-INIZCTEOSA-N 1 2 345.468 3.832 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000877984587 1137698443 /nfs/dbraw/zinc/69/84/43/1137698443.db2.gz KEJUMHJDZNQGTO-MRXNPFEDSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000877984587 1137698444 /nfs/dbraw/zinc/69/84/44/1137698444.db2.gz KEJUMHJDZNQGTO-MRXNPFEDSA-N 1 2 327.465 3.566 20 0 EHADLO COCCC[N@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000877998445 1137699037 /nfs/dbraw/zinc/69/90/37/1137699037.db2.gz UPEDSPBXHPOQRM-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO COCCC[N@@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000877998445 1137699038 /nfs/dbraw/zinc/69/90/38/1137699038.db2.gz UPEDSPBXHPOQRM-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO CCC[N@H+](Cc1nnc(-c2cccc(O)c2)o1)Cc1ccccc1F ZINC000878007492 1137699169 /nfs/dbraw/zinc/69/91/69/1137699169.db2.gz DWKAEFXUDPDMKR-UHFFFAOYSA-N 1 2 341.386 3.994 20 0 EHADLO CCC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)Cc1ccccc1F ZINC000878007492 1137699170 /nfs/dbraw/zinc/69/91/70/1137699170.db2.gz DWKAEFXUDPDMKR-UHFFFAOYSA-N 1 2 341.386 3.994 20 0 EHADLO O=C(CC[C@H]1CCc2ccccc21)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000878056358 1137701039 /nfs/dbraw/zinc/70/10/39/1137701039.db2.gz RVCJEGYYRILFSL-LJQANCHMSA-N 1 2 349.478 3.808 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC3(CCOCC3)C2)sc1Br ZINC000878132056 1137703743 /nfs/dbraw/zinc/70/37/43/1137703743.db2.gz JWFZPSRVXWPHDD-UHFFFAOYSA-N 1 2 345.306 3.607 20 0 EHADLO Cc1nc(C[N@H+]2CCCC3(CCOCC3)C2)sc1Br ZINC000878132056 1137703744 /nfs/dbraw/zinc/70/37/44/1137703744.db2.gz JWFZPSRVXWPHDD-UHFFFAOYSA-N 1 2 345.306 3.607 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(C(=O)OC)ccc1OC)c1nc(C)cs1 ZINC000878262839 1137708974 /nfs/dbraw/zinc/70/89/74/1137708974.db2.gz WTDLQXGTLBDGKY-SFHVURJKSA-N 1 2 348.468 3.662 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncccc2Br)cc1F ZINC000878346500 1137711783 /nfs/dbraw/zinc/71/17/83/1137711783.db2.gz JZOHZAFJUCSZOF-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1OC(F)F ZINC000878351626 1137712058 /nfs/dbraw/zinc/71/20/58/1137712058.db2.gz WXVITWFQFLNABR-JTQLQIEISA-N 1 2 331.313 3.600 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@H](C)c2c(C)noc2C)co1 ZINC000878364861 1137712840 /nfs/dbraw/zinc/71/28/40/1137712840.db2.gz PGTOMUABDBYHCC-LLVKDONJSA-N 1 2 327.384 3.806 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nccn3CC(F)F)CCCC2)c(F)c1 ZINC000878369867 1137713171 /nfs/dbraw/zinc/71/31/71/1137713171.db2.gz OZZBTVQODFULMR-UHFFFAOYSA-N 1 2 341.352 3.986 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000878391093 1137713912 /nfs/dbraw/zinc/71/39/12/1137713912.db2.gz IMXUEYMUPJHKRW-OLZOCXBDSA-N 1 2 344.377 3.730 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000878391093 1137713913 /nfs/dbraw/zinc/71/39/13/1137713913.db2.gz IMXUEYMUPJHKRW-OLZOCXBDSA-N 1 2 344.377 3.730 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3c4c[nH]nc4CC[C@@H]3C)c2)[nH+]c1C ZINC000878392309 1137714095 /nfs/dbraw/zinc/71/40/95/1137714095.db2.gz IIXLAFTVHRUYLM-BBATYDOGSA-N 1 2 349.438 3.721 20 0 EHADLO CC(C)(CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)CC(F)F ZINC000878402897 1137714373 /nfs/dbraw/zinc/71/43/73/1137714373.db2.gz QZCFQNGHRNXXOE-UHFFFAOYSA-N 1 2 340.414 3.529 20 0 EHADLO C[N@H+](Cc1scnc1Cl)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000878449005 1137716481 /nfs/dbraw/zinc/71/64/81/1137716481.db2.gz MRNXKWPTRWTZGH-LLVKDONJSA-N 1 2 345.896 3.532 20 0 EHADLO C[N@@H+](Cc1scnc1Cl)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000878449005 1137716482 /nfs/dbraw/zinc/71/64/82/1137716482.db2.gz MRNXKWPTRWTZGH-LLVKDONJSA-N 1 2 345.896 3.532 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878610086 1137722110 /nfs/dbraw/zinc/72/21/10/1137722110.db2.gz BTYTYZLWULXSDX-GFCCVEGCSA-N 1 2 338.860 3.849 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000878610086 1137722111 /nfs/dbraw/zinc/72/21/11/1137722111.db2.gz BTYTYZLWULXSDX-GFCCVEGCSA-N 1 2 338.860 3.849 20 0 EHADLO CC1(C)CCC[C@H](C[N@@H+]2CCc3nccc(Br)c3C2)O1 ZINC000878767880 1137727666 /nfs/dbraw/zinc/72/76/66/1137727666.db2.gz QHPJSNISJUUDDK-GFCCVEGCSA-N 1 2 339.277 3.550 20 0 EHADLO CC1(C)CCC[C@H](C[N@H+]2CCc3nccc(Br)c3C2)O1 ZINC000878767880 1137727667 /nfs/dbraw/zinc/72/76/67/1137727667.db2.gz QHPJSNISJUUDDK-GFCCVEGCSA-N 1 2 339.277 3.550 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1scnc1Cl ZINC000878814665 1137729073 /nfs/dbraw/zinc/72/90/73/1137729073.db2.gz QXJFDUFTZUBPQZ-QWRGUYRKSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1scnc1Cl ZINC000878814665 1137729074 /nfs/dbraw/zinc/72/90/74/1137729074.db2.gz QXJFDUFTZUBPQZ-QWRGUYRKSA-N 1 2 345.896 3.674 20 0 EHADLO CN(C)c1cc(CSCc2nc(-c3cccs3)no2)cc[nH+]1 ZINC000127378795 1137730362 /nfs/dbraw/zinc/73/03/62/1137730362.db2.gz SXZJBAGEFDAROF-UHFFFAOYSA-N 1 2 332.454 3.693 20 0 EHADLO C[C@@H]1CCN(C(=O)CC[C@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000879152789 1137739572 /nfs/dbraw/zinc/73/95/72/1137739572.db2.gz VYPHJCMXOKSPKX-YVWKXTFCSA-N 1 2 337.467 3.803 20 0 EHADLO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000879453975 1137748212 /nfs/dbraw/zinc/74/82/12/1137748212.db2.gz XIVQNPRHMUHPRO-MRXNPFEDSA-N 1 2 343.324 3.883 20 0 EHADLO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000879453975 1137748213 /nfs/dbraw/zinc/74/82/13/1137748213.db2.gz XIVQNPRHMUHPRO-MRXNPFEDSA-N 1 2 343.324 3.883 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3Cl)CC2)n1 ZINC000879548480 1137750437 /nfs/dbraw/zinc/75/04/37/1137750437.db2.gz RZTLMFWGWFSXQE-ZDUSSCGKSA-N 1 2 349.862 3.885 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000879998798 1137764176 /nfs/dbraw/zinc/76/41/76/1137764176.db2.gz AKBMTLXGPGDQMV-CQSZACIVSA-N 1 2 332.391 3.621 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000879998798 1137764177 /nfs/dbraw/zinc/76/41/77/1137764177.db2.gz AKBMTLXGPGDQMV-CQSZACIVSA-N 1 2 332.391 3.621 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000880001767 1137764271 /nfs/dbraw/zinc/76/42/71/1137764271.db2.gz ASSAUCSIGSBWKB-CQSZACIVSA-N 1 2 327.375 3.979 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000880001767 1137764272 /nfs/dbraw/zinc/76/42/72/1137764272.db2.gz ASSAUCSIGSBWKB-CQSZACIVSA-N 1 2 327.375 3.979 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1nc3ccccc3o1)CC2 ZINC000880090975 1137767795 /nfs/dbraw/zinc/76/77/95/1137767795.db2.gz QVDICMHLUYDXAS-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC000880090975 1137767796 /nfs/dbraw/zinc/76/77/96/1137767796.db2.gz QVDICMHLUYDXAS-CYBMUJFWSA-N 1 2 338.407 3.964 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2ncc(-c3cccs3)o2)(c2ccccc2)C1 ZINC000880224473 1137771405 /nfs/dbraw/zinc/77/14/05/1137771405.db2.gz JTDQVEVDDVYBNT-UJKQEGAGSA-N 1 2 326.421 3.543 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880271138 1137772519 /nfs/dbraw/zinc/77/25/19/1137772519.db2.gz IFZWFEVMUNAFAF-UHFFFAOYSA-N 1 2 338.377 3.745 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880271138 1137772520 /nfs/dbraw/zinc/77/25/20/1137772520.db2.gz IFZWFEVMUNAFAF-UHFFFAOYSA-N 1 2 338.377 3.745 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](CF)C1 ZINC000880292664 1137773805 /nfs/dbraw/zinc/77/38/05/1137773805.db2.gz SZICZXGZGGUXCL-WOPDTQHZSA-N 1 2 349.475 3.874 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](CF)C1 ZINC000880292664 1137773806 /nfs/dbraw/zinc/77/38/06/1137773806.db2.gz SZICZXGZGGUXCL-WOPDTQHZSA-N 1 2 349.475 3.874 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)oc1C ZINC000880341230 1137775688 /nfs/dbraw/zinc/77/56/88/1137775688.db2.gz GOFJRUGEVDUMTB-OAHLLOKOSA-N 1 2 337.464 3.513 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)oc1C ZINC000880341230 1137775689 /nfs/dbraw/zinc/77/56/89/1137775689.db2.gz GOFJRUGEVDUMTB-OAHLLOKOSA-N 1 2 337.464 3.513 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000880371547 1137776941 /nfs/dbraw/zinc/77/69/41/1137776941.db2.gz JZCDGQDISBTPKQ-IBGZPJMESA-N 1 2 329.465 3.601 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000880371547 1137776942 /nfs/dbraw/zinc/77/69/42/1137776942.db2.gz JZCDGQDISBTPKQ-IBGZPJMESA-N 1 2 329.465 3.601 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880386980 1137777501 /nfs/dbraw/zinc/77/75/01/1137777501.db2.gz CYTCBKVQZSUKCK-KRWDZBQOSA-N 1 2 330.501 3.677 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880386980 1137777502 /nfs/dbraw/zinc/77/75/02/1137777502.db2.gz CYTCBKVQZSUKCK-KRWDZBQOSA-N 1 2 330.501 3.677 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCc2ccccc21 ZINC000626132827 1137783666 /nfs/dbraw/zinc/78/36/66/1137783666.db2.gz AFIGUJHIHKJNQD-SMDDNHRTSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCc2ccccc21 ZINC000626132827 1137783667 /nfs/dbraw/zinc/78/36/67/1137783667.db2.gz AFIGUJHIHKJNQD-SMDDNHRTSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(CC(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626134094 1137785316 /nfs/dbraw/zinc/78/53/16/1137785316.db2.gz AQIDQSWZXKJKAL-CRAIPNDOSA-N 1 2 343.471 3.793 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(CC(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626134094 1137785317 /nfs/dbraw/zinc/78/53/17/1137785317.db2.gz AQIDQSWZXKJKAL-CRAIPNDOSA-N 1 2 343.471 3.793 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881170751 1137802463 /nfs/dbraw/zinc/80/24/63/1137802463.db2.gz UJZDDFBYBPZYFZ-ZDUSSCGKSA-N 1 2 344.312 3.668 20 0 EHADLO COc1cccc([C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2(C)C)c1 ZINC000881658033 1137812890 /nfs/dbraw/zinc/81/28/90/1137812890.db2.gz SOTQURNFDYIGCU-CRAIPNDOSA-N 1 2 341.455 3.638 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137169744 1137817765 /nfs/dbraw/zinc/81/77/65/1137817765.db2.gz QXTKNBAIEWDNBW-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137169744 1137817766 /nfs/dbraw/zinc/81/77/66/1137817766.db2.gz QXTKNBAIEWDNBW-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882573983 1137829821 /nfs/dbraw/zinc/82/98/21/1137829821.db2.gz KHJVBVSCFZVOEK-SMDDNHRTSA-N 1 2 341.308 3.657 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871868 1137836259 /nfs/dbraw/zinc/83/62/59/1137836259.db2.gz PYGMSNBKLCROQT-UKRRQHHQSA-N 1 2 339.361 3.719 20 0 EHADLO CCCCSCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872337 1137836382 /nfs/dbraw/zinc/83/63/82/1137836382.db2.gz CIDOSVSKYGHLCH-QGZVFWFLSA-N 1 2 331.485 3.664 20 0 EHADLO O=C(CCCc1cccs1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882874353 1137836414 /nfs/dbraw/zinc/83/64/14/1137836414.db2.gz AWLAGKFIICMGPT-SFHVURJKSA-N 1 2 339.464 3.825 20 0 EHADLO Cn1nc2c(c1C[NH2+][C@H](c1ccco1)c1ccccc1)CSCC2 ZINC000882880836 1137836669 /nfs/dbraw/zinc/83/66/69/1137836669.db2.gz LALUAVHHRZYKKQ-IBGZPJMESA-N 1 2 339.464 3.682 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]C1(c3ncccn3)CCC1)CC2 ZINC000883311826 1137853945 /nfs/dbraw/zinc/85/39/45/1137853945.db2.gz LXISUPZOIXQFTO-OAHLLOKOSA-N 1 2 344.256 3.895 20 0 EHADLO Cc1nn2c(C[NH2+][C@@H]3c4ccccc4CC[C@H]3F)c(C)nc2s1 ZINC000883382811 1137858402 /nfs/dbraw/zinc/85/84/02/1137858402.db2.gz NOYHTJRLYKGUQK-GDBMZVCRSA-N 1 2 330.432 3.523 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C2CC2)O1 ZINC000348226687 1137861807 /nfs/dbraw/zinc/86/18/07/1137861807.db2.gz ICGSMDSXYFZSMV-IIBYNOLFSA-N 1 2 338.451 3.660 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C2CC2)O1 ZINC000348226687 1137861808 /nfs/dbraw/zinc/86/18/08/1137861808.db2.gz ICGSMDSXYFZSMV-IIBYNOLFSA-N 1 2 338.451 3.660 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000883534789 1137862892 /nfs/dbraw/zinc/86/28/92/1137862892.db2.gz VUEZWLWYFLABNZ-HZPDHXFCSA-N 1 2 348.397 3.502 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883622607 1137865656 /nfs/dbraw/zinc/86/56/56/1137865656.db2.gz VIBCUFCOLARBGJ-CRAIPNDOSA-N 1 2 326.444 3.502 20 0 EHADLO Cc1ccc(C[N@@H+](CN2C(=O)SC(C)(C)C2=O)C(C)C)s1 ZINC000132461047 1137866403 /nfs/dbraw/zinc/86/64/03/1137866403.db2.gz CLKAXTIRFMAMGG-UHFFFAOYSA-N 1 2 326.487 3.698 20 0 EHADLO Cc1ccc(C[N@H+](CN2C(=O)SC(C)(C)C2=O)C(C)C)s1 ZINC000132461047 1137866404 /nfs/dbraw/zinc/86/64/04/1137866404.db2.gz CLKAXTIRFMAMGG-UHFFFAOYSA-N 1 2 326.487 3.698 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000103298205 1137875901 /nfs/dbraw/zinc/87/59/01/1137875901.db2.gz JPRDMZBLQKNCFH-CYBMUJFWSA-N 1 2 332.835 3.644 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000106876750 1137884878 /nfs/dbraw/zinc/88/48/78/1137884878.db2.gz INDNDGODTJJVEL-ZDUSSCGKSA-N 1 2 349.475 3.517 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000106876750 1137884879 /nfs/dbraw/zinc/88/48/79/1137884879.db2.gz INDNDGODTJJVEL-ZDUSSCGKSA-N 1 2 349.475 3.517 20 0 EHADLO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(Cl)cccc1Cl ZINC000429560102 1137885584 /nfs/dbraw/zinc/88/55/84/1137885584.db2.gz YJDGOIONZJNWTM-UHFFFAOYSA-N 1 2 329.271 3.732 20 0 EHADLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1c(Cl)cccc1Cl ZINC000429560102 1137885585 /nfs/dbraw/zinc/88/55/85/1137885585.db2.gz YJDGOIONZJNWTM-UHFFFAOYSA-N 1 2 329.271 3.732 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000007613792 1137892063 /nfs/dbraw/zinc/89/20/63/1137892063.db2.gz MNXFXFQWRIDWAH-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000007613792 1137892064 /nfs/dbraw/zinc/89/20/64/1137892064.db2.gz MNXFXFQWRIDWAH-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000348277385 1137892280 /nfs/dbraw/zinc/89/22/80/1137892280.db2.gz LFFXXBUDOUAZFM-JSGCOSHPSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000348277385 1137892281 /nfs/dbraw/zinc/89/22/81/1137892281.db2.gz LFFXXBUDOUAZFM-JSGCOSHPSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000111312262 1137904198 /nfs/dbraw/zinc/90/41/98/1137904198.db2.gz CQOJZLSEHDBZEK-HNNXBMFYSA-N 1 2 333.432 3.539 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000111312262 1137904199 /nfs/dbraw/zinc/90/41/99/1137904199.db2.gz CQOJZLSEHDBZEK-HNNXBMFYSA-N 1 2 333.432 3.539 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111375697 1137904378 /nfs/dbraw/zinc/90/43/78/1137904378.db2.gz ACRVKAIOJMAFDS-STQMWFEESA-N 1 2 347.484 3.782 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000111377030 1137904545 /nfs/dbraw/zinc/90/45/45/1137904545.db2.gz BOHJWVCUSPQFSC-STQMWFEESA-N 1 2 347.484 3.782 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1Br ZINC000112518378 1137908107 /nfs/dbraw/zinc/90/81/07/1137908107.db2.gz XBBFWSZSTULXAR-RKDXNWHRSA-N 1 2 340.221 3.561 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)ccc1OCC(C)C ZINC000112525112 1137908250 /nfs/dbraw/zinc/90/82/50/1137908250.db2.gz ZJRODGPTTNPYJN-OLZOCXBDSA-N 1 2 333.432 3.833 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)o1 ZINC000112532480 1137908378 /nfs/dbraw/zinc/90/83/78/1137908378.db2.gz KOFMAPNCUJNSPT-KBPBESRZSA-N 1 2 338.411 3.764 20 0 EHADLO Fc1ccc2oc(NCc3cc[nH+]c(N4CCCCC4)c3)nc2c1 ZINC000114447793 1137917393 /nfs/dbraw/zinc/91/73/93/1137917393.db2.gz VMTUJYSRTSRIPH-UHFFFAOYSA-N 1 2 326.375 3.964 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000114805161 1137919026 /nfs/dbraw/zinc/91/90/26/1137919026.db2.gz RJOQLTWMSYQSFO-MRXNPFEDSA-N 1 2 338.455 3.555 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000115455783 1137922077 /nfs/dbraw/zinc/92/20/77/1137922077.db2.gz CMGUFZPBAOQRIP-UWJYYQICSA-N 1 2 345.446 3.950 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000331865264 1137923594 /nfs/dbraw/zinc/92/35/94/1137923594.db2.gz GDRLMFHFKCKDTJ-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(Cl)c1 ZINC000331865264 1137923595 /nfs/dbraw/zinc/92/35/95/1137923595.db2.gz GDRLMFHFKCKDTJ-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000332172200 1137934408 /nfs/dbraw/zinc/93/44/08/1137934408.db2.gz LWSJAEVMASPORL-JCYILVPMSA-N 1 2 332.492 3.761 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000332172202 1137934488 /nfs/dbraw/zinc/93/44/88/1137934488.db2.gz LWSJAEVMASPORL-OFLPRAFFSA-N 1 2 332.492 3.761 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000332331312 1137940179 /nfs/dbraw/zinc/94/01/79/1137940179.db2.gz SOACDNGQNOURJR-UHFFFAOYSA-N 1 2 326.444 3.877 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332349384 1137941003 /nfs/dbraw/zinc/94/10/03/1137941003.db2.gz SJYFCLFAHGSAFY-MWLCHTKSSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332349384 1137941004 /nfs/dbraw/zinc/94/10/04/1137941004.db2.gz SJYFCLFAHGSAFY-MWLCHTKSSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332349384 1137941005 /nfs/dbraw/zinc/94/10/05/1137941005.db2.gz SJYFCLFAHGSAFY-MWLCHTKSSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332349384 1137941006 /nfs/dbraw/zinc/94/10/06/1137941006.db2.gz SJYFCLFAHGSAFY-MWLCHTKSSA-N 1 2 325.771 3.508 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000119584731 1137942920 /nfs/dbraw/zinc/94/29/20/1137942920.db2.gz XOHKKKUBZGKXAJ-GOSISDBHSA-N 1 2 344.434 3.595 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332414905 1137943306 /nfs/dbraw/zinc/94/33/06/1137943306.db2.gz LTLSGPWUYURMHX-HIFRSBDPSA-N 1 2 328.416 3.529 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120218345 1137947423 /nfs/dbraw/zinc/94/74/23/1137947423.db2.gz NCVXGGDYRSEIJQ-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120218345 1137947424 /nfs/dbraw/zinc/94/74/24/1137947424.db2.gz NCVXGGDYRSEIJQ-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CNc2ccccc2C[NH+]2CCOCC2)o1 ZINC000120948052 1137953899 /nfs/dbraw/zinc/95/38/99/1137953899.db2.gz HRSYMFOWXNQBAO-YJBOKZPZSA-N 1 2 326.440 3.847 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000333237623 1137959035 /nfs/dbraw/zinc/95/90/35/1137959035.db2.gz VVQXWVRKNXZEMS-ACJLOTCBSA-N 1 2 337.427 3.788 20 0 EHADLO C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC001137210861 1137961525 /nfs/dbraw/zinc/96/15/25/1137961525.db2.gz RFGIIDJITZZMGY-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000886266055 1138063017 /nfs/dbraw/zinc/06/30/17/1138063017.db2.gz YHBWZQNLQZHRCL-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000886542906 1138094078 /nfs/dbraw/zinc/09/40/78/1138094078.db2.gz HQTCXONIMJIWSU-KXBFYZLASA-N 1 2 329.465 3.673 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000886542906 1138094079 /nfs/dbraw/zinc/09/40/79/1138094079.db2.gz HQTCXONIMJIWSU-KXBFYZLASA-N 1 2 329.465 3.673 20 0 EHADLO COc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1-c1ccccn1 ZINC000348390811 1138095054 /nfs/dbraw/zinc/09/50/54/1138095054.db2.gz LJPPQUILNLHWDA-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000886583825 1138098988 /nfs/dbraw/zinc/09/89/88/1138098988.db2.gz DACIBWLQHGLUBJ-RDJZCZTQSA-N 1 2 339.439 3.640 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(Cl)nc1 ZINC000072688664 1138107203 /nfs/dbraw/zinc/10/72/03/1138107203.db2.gz YRACSQYEUROTHI-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(Cl)nc1 ZINC000072688664 1138107204 /nfs/dbraw/zinc/10/72/04/1138107204.db2.gz YRACSQYEUROTHI-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000886698807 1138118207 /nfs/dbraw/zinc/11/82/07/1138118207.db2.gz NGPQSDONZQSUBL-ZDUSSCGKSA-N 1 2 334.489 3.587 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000886698807 1138118208 /nfs/dbraw/zinc/11/82/08/1138118208.db2.gz NGPQSDONZQSUBL-ZDUSSCGKSA-N 1 2 334.489 3.587 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000886722173 1138125638 /nfs/dbraw/zinc/12/56/38/1138125638.db2.gz XIRFJPGSZODYEE-UHFFFAOYSA-N 1 2 328.412 3.505 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000886723872 1138125951 /nfs/dbraw/zinc/12/59/51/1138125951.db2.gz OYVWMMYVWSHWTM-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO Brc1cccc(-c2cnc(C[NH+]3CCSCC3)o2)c1 ZINC000075638570 1138128798 /nfs/dbraw/zinc/12/87/98/1138128798.db2.gz JANUDVYDOJMKAK-UHFFFAOYSA-N 1 2 339.258 3.653 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080908950 1138164774 /nfs/dbraw/zinc/16/47/74/1138164774.db2.gz UMOMJLWPHRCNBQ-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080908950 1138164775 /nfs/dbraw/zinc/16/47/75/1138164775.db2.gz UMOMJLWPHRCNBQ-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000080914160 1138164784 /nfs/dbraw/zinc/16/47/84/1138164784.db2.gz CSFOFXWGEJGAMF-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000080914160 1138164785 /nfs/dbraw/zinc/16/47/85/1138164785.db2.gz CSFOFXWGEJGAMF-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080931481 1138164818 /nfs/dbraw/zinc/16/48/18/1138164818.db2.gz ADHKGZHOVDOLES-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080931481 1138164820 /nfs/dbraw/zinc/16/48/20/1138164820.db2.gz ADHKGZHOVDOLES-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO C[C@H](CNC(=O)C1(c2cccs2)CCCCC1)Cn1cc[nH+]c1 ZINC000081800572 1138171311 /nfs/dbraw/zinc/17/13/11/1138171311.db2.gz RLYDUPYZJVAUSU-OAHLLOKOSA-N 1 2 331.485 3.599 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](CC)c2cccc3ccccc32)n1 ZINC000886919836 1138172615 /nfs/dbraw/zinc/17/26/15/1138172615.db2.gz XPHJQKRLEKAWIT-INIZCTEOSA-N 1 2 339.395 3.640 20 0 EHADLO Cc1sc2nc(C[NH2+][C@@H]3CCc4c3cccc4F)nc(N)c2c1C ZINC000886927391 1138173116 /nfs/dbraw/zinc/17/31/16/1138173116.db2.gz DRYFPCIFMRSCMV-CQSZACIVSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H](CC(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000886949501 1138174354 /nfs/dbraw/zinc/17/43/54/1138174354.db2.gz PZTHGLVDYCQAFR-LLVKDONJSA-N 1 2 340.349 3.558 20 0 EHADLO COc1cccc([C@@H](C)CC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000084599581 1138181924 /nfs/dbraw/zinc/18/19/24/1138181924.db2.gz OKKZBBCZLLCWHQ-INIZCTEOSA-N 1 2 341.455 3.592 20 0 EHADLO FC(F)(F)c1nc(C2CC[NH+](Cc3cnccc3Cl)CC2)no1 ZINC001137236685 1138184349 /nfs/dbraw/zinc/18/43/49/1138184349.db2.gz MBQNCDKVYVCFIR-UHFFFAOYSA-N 1 2 346.740 3.516 20 0 EHADLO C[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccc(Cl)cc1 ZINC000092896500 1138232517 /nfs/dbraw/zinc/23/25/17/1138232517.db2.gz BKEYHENLTFKICN-HNNXBMFYSA-N 1 2 345.874 3.969 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@@H](C)c1cccnc1)[C@H](C)c1ccc(F)cc1 ZINC000093228213 1138235259 /nfs/dbraw/zinc/23/52/59/1138235259.db2.gz RJBYPMOKNLVNIE-JKSUJKDBSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)[C@H](C)c1ccc(F)cc1 ZINC000093228213 1138235260 /nfs/dbraw/zinc/23/52/60/1138235260.db2.gz RJBYPMOKNLVNIE-JKSUJKDBSA-N 1 2 343.446 3.823 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000093336078 1138236213 /nfs/dbraw/zinc/23/62/13/1138236213.db2.gz VQKBNMBQRMPZTO-UHFFFAOYSA-N 1 2 332.469 3.671 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000093336078 1138236215 /nfs/dbraw/zinc/23/62/15/1138236215.db2.gz VQKBNMBQRMPZTO-UHFFFAOYSA-N 1 2 332.469 3.671 20 0 EHADLO COc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1O ZINC000093532517 1138238247 /nfs/dbraw/zinc/23/82/47/1138238247.db2.gz AGHUVMYRCWLESL-UHFFFAOYSA-N 1 2 343.267 3.718 20 0 EHADLO COc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1O ZINC000093532517 1138238248 /nfs/dbraw/zinc/23/82/48/1138238248.db2.gz AGHUVMYRCWLESL-UHFFFAOYSA-N 1 2 343.267 3.718 20 0 EHADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1F ZINC000093713136 1138240069 /nfs/dbraw/zinc/24/00/69/1138240069.db2.gz AHRCNBGOKBFGPV-NRFANRHFSA-N 1 2 325.836 3.849 20 0 EHADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1F ZINC000093713136 1138240071 /nfs/dbraw/zinc/24/00/71/1138240071.db2.gz AHRCNBGOKBFGPV-NRFANRHFSA-N 1 2 325.836 3.849 20 0 EHADLO C[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093712932 1138240387 /nfs/dbraw/zinc/24/03/87/1138240387.db2.gz PBNOXPHWVVKHHC-QFIPXVFZSA-N 1 2 336.526 3.810 20 0 EHADLO C[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093712932 1138240389 /nfs/dbraw/zinc/24/03/89/1138240389.db2.gz PBNOXPHWVVKHHC-QFIPXVFZSA-N 1 2 336.526 3.810 20 0 EHADLO CCCCOc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)c(C)c1 ZINC000122659461 1138260380 /nfs/dbraw/zinc/26/03/80/1138260380.db2.gz ABCSEPPIEXMWSV-UHFFFAOYSA-N 1 2 344.459 3.924 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C(C)C ZINC000122811172 1138262544 /nfs/dbraw/zinc/26/25/44/1138262544.db2.gz KOQHSVZDOZLPHE-KSSFIOAISA-N 1 2 328.460 3.606 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333267948 1138272729 /nfs/dbraw/zinc/27/27/29/1138272729.db2.gz NCLPQKRUZMRXHG-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333267948 1138272730 /nfs/dbraw/zinc/27/27/30/1138272730.db2.gz NCLPQKRUZMRXHG-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000333737103 1138326814 /nfs/dbraw/zinc/32/68/14/1138326814.db2.gz KVWGRSZDESCDEN-SFHVURJKSA-N 1 2 344.503 3.720 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000263666340 1138339358 /nfs/dbraw/zinc/33/93/58/1138339358.db2.gz FMIQIHDWUCVVGC-GFCCVEGCSA-N 1 2 325.437 3.906 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000263666340 1138339359 /nfs/dbraw/zinc/33/93/59/1138339359.db2.gz FMIQIHDWUCVVGC-GFCCVEGCSA-N 1 2 325.437 3.906 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc2c3c(cccc31)CC2 ZINC000263710599 1138346899 /nfs/dbraw/zinc/34/68/99/1138346899.db2.gz DIVVYCFMTBAFHG-UHFFFAOYSA-N 1 2 346.434 3.793 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263752341 1138356615 /nfs/dbraw/zinc/35/66/15/1138356615.db2.gz FTSJWFVCGOWZBP-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263754736 1138357334 /nfs/dbraw/zinc/35/73/34/1138357334.db2.gz GCYOWFKTOJCNOM-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000127545918 1138361839 /nfs/dbraw/zinc/36/18/39/1138361839.db2.gz JODNXUWHDFYEPV-SMDDNHRTSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCCC34CCCC4)[nH+]cn2)C1 ZINC000334029316 1138363383 /nfs/dbraw/zinc/36/33/83/1138363383.db2.gz JQTVGTCUHJNVGI-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCCC34CCCC4)nc[nH+]2)C1 ZINC000334029316 1138363386 /nfs/dbraw/zinc/36/33/86/1138363386.db2.gz JQTVGTCUHJNVGI-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)ccc2[nH+]1 ZINC000263792501 1138366852 /nfs/dbraw/zinc/36/68/52/1138366852.db2.gz IPOBQDKVWIZZGG-NWDGAFQWSA-N 1 2 325.334 3.950 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)n1C ZINC000128115118 1138381031 /nfs/dbraw/zinc/38/10/31/1138381031.db2.gz FVZLFLCZFKCCFD-UHFFFAOYSA-N 1 2 341.842 3.609 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)n1C ZINC000128115118 1138381034 /nfs/dbraw/zinc/38/10/34/1138381034.db2.gz FVZLFLCZFKCCFD-UHFFFAOYSA-N 1 2 341.842 3.609 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000263955545 1138397455 /nfs/dbraw/zinc/39/74/55/1138397455.db2.gz SEKMYSOAWLIJAE-MRXNPFEDSA-N 1 2 343.496 3.915 20 0 EHADLO Cc1ccc(-c2nc(NC(=O)CCn3cc[nH+]c3)sc2C)s1 ZINC000264075173 1138414970 /nfs/dbraw/zinc/41/49/70/1138414970.db2.gz OQEYJZIJBOCWHK-UHFFFAOYSA-N 1 2 332.454 3.714 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000264122331 1138423692 /nfs/dbraw/zinc/42/36/92/1138423692.db2.gz XICUIYLRBNIBDJ-CYBMUJFWSA-N 1 2 331.847 3.747 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cccc2cccnc21 ZINC000264123695 1138424041 /nfs/dbraw/zinc/42/40/41/1138424041.db2.gz VQGPMMKLBKLYLP-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cccc2cccnc21 ZINC000264123695 1138424042 /nfs/dbraw/zinc/42/40/42/1138424042.db2.gz VQGPMMKLBKLYLP-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000264127567 1138424357 /nfs/dbraw/zinc/42/43/57/1138424357.db2.gz GBXPFOXFBCWGJS-LJQANCHMSA-N 1 2 340.423 3.634 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC000264150356 1138429461 /nfs/dbraw/zinc/42/94/61/1138429461.db2.gz CVNGMASHPFGMBX-OAHLLOKOSA-N 1 2 347.459 3.645 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC000264150356 1138429464 /nfs/dbraw/zinc/42/94/64/1138429464.db2.gz CVNGMASHPFGMBX-OAHLLOKOSA-N 1 2 347.459 3.645 20 0 EHADLO CC(C)(COCc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336969584 1138437890 /nfs/dbraw/zinc/43/78/90/1138437890.db2.gz BPUQTQZWCGUUKP-UHFFFAOYSA-N 1 2 349.434 3.598 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000336973945 1138439220 /nfs/dbraw/zinc/43/92/20/1138439220.db2.gz SQSQQHPLRQWGAV-INIZCTEOSA-N 1 2 337.467 3.783 20 0 EHADLO CC(C)c1nc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cs1 ZINC000130176625 1138439840 /nfs/dbraw/zinc/43/98/40/1138439840.db2.gz UJFGKXJVLXJCIP-CYBMUJFWSA-N 1 2 349.525 3.847 20 0 EHADLO CCCc1occc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000337004514 1138446008 /nfs/dbraw/zinc/44/60/08/1138446008.db2.gz XGEILJDKIJMUNX-FUHWJXTLSA-N 1 2 348.393 3.686 20 0 EHADLO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000337004514 1138446009 /nfs/dbraw/zinc/44/60/09/1138446009.db2.gz XGEILJDKIJMUNX-FUHWJXTLSA-N 1 2 348.393 3.686 20 0 EHADLO O=C(c1ccoc1C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337035825 1138452864 /nfs/dbraw/zinc/45/28/64/1138452864.db2.gz HGPAGDWOLJSNIU-UHFFFAOYSA-N 1 2 327.428 3.686 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264267928 1138459423 /nfs/dbraw/zinc/45/94/23/1138459423.db2.gz UDJHSEOQIUUUDD-ARFHVFGLSA-N 1 2 333.476 3.636 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337115567 1138469771 /nfs/dbraw/zinc/46/97/71/1138469771.db2.gz RQCSPIQKBWVTMY-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337144788 1138478831 /nfs/dbraw/zinc/47/88/31/1138478831.db2.gz WVGKQGQMOJEQKZ-FQEVSTJZSA-N 1 2 348.450 3.785 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337144788 1138478834 /nfs/dbraw/zinc/47/88/34/1138478834.db2.gz WVGKQGQMOJEQKZ-FQEVSTJZSA-N 1 2 348.450 3.785 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC ZINC000337168791 1138484357 /nfs/dbraw/zinc/48/43/57/1138484357.db2.gz ZQRNZSJPHZEXOM-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137244997 1138485397 /nfs/dbraw/zinc/48/53/97/1138485397.db2.gz FIIQGEASVODGGV-MRXNPFEDSA-N 1 2 347.418 3.537 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000264383191 1138495651 /nfs/dbraw/zinc/49/56/51/1138495651.db2.gz BZVMDMYKNQTRIP-ZDUSSCGKSA-N 1 2 340.452 3.779 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)o1 ZINC000131294481 1138508179 /nfs/dbraw/zinc/50/81/79/1138508179.db2.gz SGMQHAMYVSSZBS-LJQANCHMSA-N 1 2 337.423 3.949 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)o1 ZINC000131294481 1138508183 /nfs/dbraw/zinc/50/81/83/1138508183.db2.gz SGMQHAMYVSSZBS-LJQANCHMSA-N 1 2 337.423 3.949 20 0 EHADLO CCc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000337343608 1138538945 /nfs/dbraw/zinc/53/89/45/1138538945.db2.gz JRFDUKMAMJHUAN-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO CC1(C)C[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000337423400 1138564973 /nfs/dbraw/zinc/56/49/73/1138564973.db2.gz BRZBFKNWKHBDNC-CQSZACIVSA-N 1 2 341.480 3.686 20 0 EHADLO CC1(C)C[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000337423400 1138564975 /nfs/dbraw/zinc/56/49/75/1138564975.db2.gz BRZBFKNWKHBDNC-CQSZACIVSA-N 1 2 341.480 3.686 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ccn(C(C)C)n2)CC2CC2)c(OC)c1 ZINC000337456007 1138574145 /nfs/dbraw/zinc/57/41/45/1138574145.db2.gz PGGGLUVGNBBTQT-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO COc1ccc(C[N@H+](Cc2ccn(C(C)C)n2)CC2CC2)c(OC)c1 ZINC000337456007 1138574147 /nfs/dbraw/zinc/57/41/47/1138574147.db2.gz PGGGLUVGNBBTQT-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000283005726 1138582514 /nfs/dbraw/zinc/58/25/14/1138582514.db2.gz GUOIREKXZUFFJW-HOTGVXAUSA-N 1 2 336.435 3.911 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000283005726 1138582519 /nfs/dbraw/zinc/58/25/19/1138582519.db2.gz GUOIREKXZUFFJW-HOTGVXAUSA-N 1 2 336.435 3.911 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000337501414 1138587781 /nfs/dbraw/zinc/58/77/81/1138587781.db2.gz MBOLHYPVFWDKBB-GSZIZHMGSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000337501414 1138587784 /nfs/dbraw/zinc/58/77/84/1138587784.db2.gz MBOLHYPVFWDKBB-GSZIZHMGSA-N 1 2 345.430 3.952 20 0 EHADLO CCc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000348457593 1138621443 /nfs/dbraw/zinc/62/14/43/1138621443.db2.gz RKZXIJUXEYHTGK-UHFFFAOYSA-N 1 2 346.434 3.634 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337641080 1138630475 /nfs/dbraw/zinc/63/04/75/1138630475.db2.gz FTGGCBCBGXWWTP-OAQYLSRUSA-N 1 2 348.446 3.905 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337641080 1138630478 /nfs/dbraw/zinc/63/04/78/1138630478.db2.gz FTGGCBCBGXWWTP-OAQYLSRUSA-N 1 2 348.446 3.905 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337655881 1138635554 /nfs/dbraw/zinc/63/55/54/1138635554.db2.gz NNFZURQLGBGJFF-DQVLVPHSSA-N 1 2 349.478 3.529 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337669807 1138639356 /nfs/dbraw/zinc/63/93/56/1138639356.db2.gz VNQGNIPUROKRSG-IMFGXOCKSA-N 1 2 349.478 3.544 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000338032399 1138728703 /nfs/dbraw/zinc/72/87/03/1138728703.db2.gz QWAMDVFUILTTSH-UHFFFAOYSA-N 1 2 332.816 3.689 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000338037135 1138730305 /nfs/dbraw/zinc/73/03/05/1138730305.db2.gz RYAKROZUSUCDQT-UHFFFAOYSA-N 1 2 349.438 3.756 20 0 EHADLO O=C(Cc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338114149 1138755741 /nfs/dbraw/zinc/75/57/41/1138755741.db2.gz WUCPDBHNKXLOQM-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2CCC=CCC2)c1)[NH+]1CCOCC1 ZINC000887750045 1138779746 /nfs/dbraw/zinc/77/97/46/1138779746.db2.gz ZMJJSZPMFBWXLH-INIZCTEOSA-N 1 2 343.471 3.700 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)[nH]c2c1 ZINC000338200762 1138785229 /nfs/dbraw/zinc/78/52/29/1138785229.db2.gz ODTFWOZZNIKQIV-LJQANCHMSA-N 1 2 343.434 3.735 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338235195 1138796588 /nfs/dbraw/zinc/79/65/88/1138796588.db2.gz QTDQQHGPDOLQAR-INIZCTEOSA-N 1 2 328.460 3.886 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCOCC2(CC2)C1 ZINC000338296934 1138821781 /nfs/dbraw/zinc/82/17/81/1138821781.db2.gz OKSFBFUOLSHFRP-LBPRGKRZSA-N 1 2 333.432 3.518 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCOCC2(CC2)C1 ZINC000338296934 1138821786 /nfs/dbraw/zinc/82/17/86/1138821786.db2.gz OKSFBFUOLSHFRP-LBPRGKRZSA-N 1 2 333.432 3.518 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccccc1Cl ZINC000338324227 1138834555 /nfs/dbraw/zinc/83/45/55/1138834555.db2.gz ORKIIGZGGLXWPC-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1Cl ZINC000338324227 1138834560 /nfs/dbraw/zinc/83/45/60/1138834560.db2.gz ORKIIGZGGLXWPC-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000152121151 1139074306 /nfs/dbraw/zinc/07/43/06/1139074306.db2.gz CUZJWGOXDIPBIC-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1cccnc1 ZINC000152468646 1139093507 /nfs/dbraw/zinc/09/35/07/1139093507.db2.gz TZDROTBMSJSKKJ-GUYCJALGSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1cccnc1 ZINC000152468646 1139093515 /nfs/dbraw/zinc/09/35/15/1139093515.db2.gz TZDROTBMSJSKKJ-GUYCJALGSA-N 1 2 347.256 3.806 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000152581958 1139098683 /nfs/dbraw/zinc/09/86/83/1139098683.db2.gz CZBJUEKSGDPTGQ-XYJFISCASA-N 1 2 326.444 3.545 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Cc1cccs1 ZINC000152902154 1139113208 /nfs/dbraw/zinc/11/32/08/1139113208.db2.gz XROJNBMBFDICEB-HNNXBMFYSA-N 1 2 339.464 3.602 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153363285 1139133955 /nfs/dbraw/zinc/13/39/55/1139133955.db2.gz SZJIKXQSNSFPGV-ZIFCJYIRSA-N 1 2 340.471 3.854 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC[C@H](C2CCC2)C1 ZINC000889544674 1139229450 /nfs/dbraw/zinc/22/94/50/1139229450.db2.gz XHJJGGPIBJCQBB-BZSNNMDCSA-N 1 2 342.487 3.636 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@@H]1C1CCC1 ZINC000890262587 1139334267 /nfs/dbraw/zinc/33/42/67/1139334267.db2.gz PAEFNIQSJGHLMN-RBUKOAKNSA-N 1 2 338.455 3.599 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1nccs1 ZINC000174062970 1139397513 /nfs/dbraw/zinc/39/75/13/1139397513.db2.gz IIPRVDFEXAAKNA-YPMHNXCESA-N 1 2 335.860 3.643 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnn(-c3ccccc3)c2)o1 ZINC000174480707 1139422905 /nfs/dbraw/zinc/42/29/05/1139422905.db2.gz VVXNTZHBFTXGHN-SFHVURJKSA-N 1 2 325.412 3.505 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000176400643 1139556016 /nfs/dbraw/zinc/55/60/16/1139556016.db2.gz PERNBIVGLBXLGT-CDHQVMDDSA-N 1 2 333.435 3.592 20 0 EHADLO Clc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000177153915 1139599790 /nfs/dbraw/zinc/59/97/90/1139599790.db2.gz KPSPXNOZDFJADZ-CYBMUJFWSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000177153915 1139599794 /nfs/dbraw/zinc/59/97/94/1139599794.db2.gz KPSPXNOZDFJADZ-CYBMUJFWSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000177153902 1139599933 /nfs/dbraw/zinc/59/99/33/1139599933.db2.gz KPSPXNOZDFJADZ-ZDUSSCGKSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000177153902 1139599935 /nfs/dbraw/zinc/59/99/35/1139599935.db2.gz KPSPXNOZDFJADZ-ZDUSSCGKSA-N 1 2 336.844 3.905 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000177549094 1139626248 /nfs/dbraw/zinc/62/62/48/1139626248.db2.gz BVUIUQALABTWPK-CLDOCUBWSA-N 1 2 335.860 3.721 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+][C@H](C(N)=O)c3ccccc3)c(C)c2c1 ZINC000177778768 1139640947 /nfs/dbraw/zinc/64/09/47/1139640947.db2.gz NJVAFLYPAZYELN-ACJLOTCBSA-N 1 2 338.407 3.627 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)ccc1F ZINC000178254720 1139682414 /nfs/dbraw/zinc/68/24/14/1139682414.db2.gz AVFORBSSHHRFQM-GFCCVEGCSA-N 1 2 343.324 3.958 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)ccc1F ZINC000178254720 1139682416 /nfs/dbraw/zinc/68/24/16/1139682416.db2.gz AVFORBSSHHRFQM-GFCCVEGCSA-N 1 2 343.324 3.958 20 0 EHADLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000178385838 1139691353 /nfs/dbraw/zinc/69/13/53/1139691353.db2.gz KBMLUWKROQAUBR-AWEZNQCLSA-N 1 2 342.468 3.891 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000178407450 1139692226 /nfs/dbraw/zinc/69/22/26/1139692226.db2.gz SQAUKKWHVIRSFH-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@H]2c2sccc2C)c1C ZINC000178649367 1139708822 /nfs/dbraw/zinc/70/88/22/1139708822.db2.gz TWIQPVAODYQKCW-CABCVRRESA-N 1 2 344.480 3.839 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000179946317 1139795457 /nfs/dbraw/zinc/79/54/57/1139795457.db2.gz GRJSTUURJHGJPR-FZDIXFNVSA-N 1 2 330.472 3.527 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)n1 ZINC000180264283 1139821994 /nfs/dbraw/zinc/82/19/94/1139821994.db2.gz IUAOCFMIATZQAN-OAHLLOKOSA-N 1 2 343.349 3.722 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181178114 1139890350 /nfs/dbraw/zinc/89/03/50/1139890350.db2.gz LCPVVMGBKNKHQX-DOTOQJQBSA-N 1 2 329.444 3.670 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4occc43)nn2)cc1Cl ZINC000181503286 1139911508 /nfs/dbraw/zinc/91/15/08/1139911508.db2.gz LPAIFTUDSWCPCV-MRXNPFEDSA-N 1 2 346.793 3.820 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nccn1C(C)C)c1ccccc1 ZINC000181831304 1139935134 /nfs/dbraw/zinc/93/51/34/1139935134.db2.gz IEGZYXCCMZBWFN-QGZVFWFLSA-N 1 2 329.444 3.637 20 0 EHADLO Cc1cc(Cl)c(C(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000181947823 1139941936 /nfs/dbraw/zinc/94/19/36/1139941936.db2.gz SIUWIASUDWMQAR-UHFFFAOYSA-N 1 2 331.847 3.974 20 0 EHADLO CN(C)c1ccc([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000182490037 1139975865 /nfs/dbraw/zinc/97/58/65/1139975865.db2.gz ABBUFWHSFFSKPJ-UHFFFAOYSA-N 1 2 335.451 3.997 20 0 EHADLO C[NH+](C)c1ccc(NC2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000182490037 1139975867 /nfs/dbraw/zinc/97/58/67/1139975867.db2.gz ABBUFWHSFFSKPJ-UHFFFAOYSA-N 1 2 335.451 3.997 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000183226974 1140022318 /nfs/dbraw/zinc/02/23/18/1140022318.db2.gz ONAUFXUYSXAYOJ-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000183291583 1140027829 /nfs/dbraw/zinc/02/78/29/1140027829.db2.gz UDUAKWUMOCMOIO-AWEZNQCLSA-N 1 2 341.789 3.916 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3cccc(Cl)c3)n2)cnn1C ZINC000183303601 1140028048 /nfs/dbraw/zinc/02/80/48/1140028048.db2.gz FWWUXDXCGLEWRJ-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(C)C)c1ccco1 ZINC000184512579 1140107086 /nfs/dbraw/zinc/10/70/86/1140107086.db2.gz GYIBKRYCOHXBQB-PBHICJAKSA-N 1 2 330.428 3.707 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cs1 ZINC000184684475 1140115138 /nfs/dbraw/zinc/11/51/38/1140115138.db2.gz AKLDBBGRBJSVSQ-QWHCGFSZSA-N 1 2 349.475 3.715 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C)c1ccc(C)o1 ZINC000184731493 1140117677 /nfs/dbraw/zinc/11/76/77/1140117677.db2.gz VMUVXEUCICZFMM-JKSUJKDBSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)o1 ZINC000184826684 1140121389 /nfs/dbraw/zinc/12/13/89/1140121389.db2.gz SGSLNEGBELGIHQ-CRAIPNDOSA-N 1 2 344.455 3.763 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000184858390 1140123243 /nfs/dbraw/zinc/12/32/43/1140123243.db2.gz PRLJHYYUVNZYOB-CQSZACIVSA-N 1 2 329.444 3.545 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184872352 1140123997 /nfs/dbraw/zinc/12/39/97/1140123997.db2.gz SXVRHKXMKIXEJU-CVEARBPZSA-N 1 2 343.471 3.885 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(Cc2ccc(C)cc2)C2CC2)s1 ZINC000185001366 1140130277 /nfs/dbraw/zinc/13/02/77/1140130277.db2.gz DWLGNINRNPVQLO-HNNXBMFYSA-N 1 2 343.496 3.602 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000185699964 1140164329 /nfs/dbraw/zinc/16/43/29/1140164329.db2.gz XVBQPRRMHLAQDT-CZUORRHYSA-N 1 2 348.397 3.613 20 0 EHADLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000185896375 1140175826 /nfs/dbraw/zinc/17/58/26/1140175826.db2.gz PTJRYDISNBGTIX-NSHDSACASA-N 1 2 343.254 3.599 20 0 EHADLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000185896375 1140175830 /nfs/dbraw/zinc/17/58/30/1140175830.db2.gz PTJRYDISNBGTIX-NSHDSACASA-N 1 2 343.254 3.599 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185929977 1140177963 /nfs/dbraw/zinc/17/79/63/1140177963.db2.gz QVTKJCJNDUTESI-LLVKDONJSA-N 1 2 343.374 3.841 20 0 EHADLO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186881025 1140226362 /nfs/dbraw/zinc/22/63/62/1140226362.db2.gz FVEDVITVVVFOOR-UHFFFAOYSA-N 1 2 346.377 3.827 20 0 EHADLO CN1c2ccc(CNc3ccc4c(c3)CCC[N@H+]4C)cc2CCC1=O ZINC000187319463 1140249794 /nfs/dbraw/zinc/24/97/94/1140249794.db2.gz XHHAHNMLALMQQK-UHFFFAOYSA-N 1 2 335.451 3.590 20 0 EHADLO CN1c2ccc(CNc3ccc4c(c3)CCC[N@@H+]4C)cc2CCC1=O ZINC000187319463 1140249799 /nfs/dbraw/zinc/24/97/99/1140249799.db2.gz XHHAHNMLALMQQK-UHFFFAOYSA-N 1 2 335.451 3.590 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000188508714 1140299058 /nfs/dbraw/zinc/29/90/58/1140299058.db2.gz JOWZWZLGQOOWRR-HXUWFJFHSA-N 1 2 327.472 3.990 20 0 EHADLO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H]1CCSC1 ZINC000188706374 1140305583 /nfs/dbraw/zinc/30/55/83/1140305583.db2.gz VTTJDQFQFPZAII-CQSZACIVSA-N 1 2 336.501 3.618 20 0 EHADLO Cc1ccn(C)c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000189035171 1140317902 /nfs/dbraw/zinc/31/79/02/1140317902.db2.gz ZGUTZXMTCCTXAY-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000191880658 1140490892 /nfs/dbraw/zinc/49/08/92/1140490892.db2.gz RVICUIDCGRLNBK-UHFFFAOYSA-N 1 2 339.443 3.871 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)c1ccccc1OC(F)F ZINC000192726382 1140546802 /nfs/dbraw/zinc/54/68/02/1140546802.db2.gz PSYFPQDGFWVBGI-WCQYABFASA-N 1 2 337.370 3.894 20 0 EHADLO OCC1CCN(c2ccc(NCc3cc(Cl)cs3)[nH+]c2)CC1 ZINC000192751545 1140549651 /nfs/dbraw/zinc/54/96/51/1140549651.db2.gz IBHAKSIPRXXNNQ-UHFFFAOYSA-N 1 2 337.876 3.617 20 0 EHADLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cnn1C1CCCC1 ZINC000192979566 1140558669 /nfs/dbraw/zinc/55/86/69/1140558669.db2.gz ACZLTNOOTBESHM-UHFFFAOYSA-N 1 2 335.411 3.745 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000193129495 1140565289 /nfs/dbraw/zinc/56/52/89/1140565289.db2.gz IOWHBJBQEAUDIR-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000193129495 1140565295 /nfs/dbraw/zinc/56/52/95/1140565295.db2.gz IOWHBJBQEAUDIR-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO C[C@@H]1COCC[C@@H]1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000195099651 1140631037 /nfs/dbraw/zinc/63/10/37/1140631037.db2.gz YYUDZQHZZHOLQS-KDOFPFPSSA-N 1 2 331.485 3.612 20 0 EHADLO C[C@@H]1COCC[C@@H]1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000195099651 1140631042 /nfs/dbraw/zinc/63/10/42/1140631042.db2.gz YYUDZQHZZHOLQS-KDOFPFPSSA-N 1 2 331.485 3.612 20 0 EHADLO CCN(CC(=O)Nc1c(C)cccc1C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000266281182 1140663307 /nfs/dbraw/zinc/66/33/07/1140663307.db2.gz UEFYKDWZFPPZFN-UHFFFAOYSA-N 1 2 338.455 3.744 20 0 EHADLO Brc1cncc(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000266359108 1140673953 /nfs/dbraw/zinc/67/39/53/1140673953.db2.gz KKYRAUMFMGYCMB-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266946996 1140742448 /nfs/dbraw/zinc/74/24/48/1140742448.db2.gz FKHZWOSVLJGWAB-UHFFFAOYSA-N 1 2 344.484 3.727 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000266957583 1140743186 /nfs/dbraw/zinc/74/31/86/1140743186.db2.gz WRLSVORISWZFGV-HXUWFJFHSA-N 1 2 334.467 3.997 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000266957583 1140743190 /nfs/dbraw/zinc/74/31/90/1140743190.db2.gz WRLSVORISWZFGV-HXUWFJFHSA-N 1 2 334.467 3.997 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000267048850 1140753995 /nfs/dbraw/zinc/75/39/95/1140753995.db2.gz DQWIGZCTWFCLTJ-VIFPVBQESA-N 1 2 344.267 3.822 20 0 EHADLO CN(C)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000267413990 1140788049 /nfs/dbraw/zinc/78/80/49/1140788049.db2.gz ATUQFWBPHLIJHW-UHFFFAOYSA-N 1 2 347.850 3.541 20 0 EHADLO Cc1nc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2s1 ZINC000267474819 1140796158 /nfs/dbraw/zinc/79/61/58/1140796158.db2.gz WEZGCBYWDIMFKF-UHFFFAOYSA-N 1 2 341.440 3.739 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267662444 1140817123 /nfs/dbraw/zinc/81/71/23/1140817123.db2.gz KHTMTXBKDNYGAQ-UWJYYQICSA-N 1 2 345.446 3.950 20 0 EHADLO CC[C@H](C(=O)NCc1[nH]c[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000267764638 1140830335 /nfs/dbraw/zinc/83/03/35/1140830335.db2.gz DQGZNZHRJLDDPM-ZDUSSCGKSA-N 1 2 325.334 3.547 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267926389 1140851275 /nfs/dbraw/zinc/85/12/75/1140851275.db2.gz KTLAGIIALZGVSU-KRWDZBQOSA-N 1 2 329.465 3.602 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2F)cc(OC)c1OC ZINC000267964125 1140856332 /nfs/dbraw/zinc/85/63/32/1140856332.db2.gz MBTWNQMGXONCSS-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2F)cc(OC)c1OC ZINC000267964125 1140856343 /nfs/dbraw/zinc/85/63/43/1140856343.db2.gz MBTWNQMGXONCSS-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1SC ZINC000268180611 1140898433 /nfs/dbraw/zinc/89/84/33/1140898433.db2.gz IPLMDXBITABDIV-UHFFFAOYSA-N 1 2 337.514 3.856 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)[nH]1 ZINC000268525698 1140951950 /nfs/dbraw/zinc/95/19/50/1140951950.db2.gz XPTNSINOWUQKQB-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)[nH]1 ZINC000268525698 1140951956 /nfs/dbraw/zinc/95/19/56/1140951956.db2.gz XPTNSINOWUQKQB-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)n1 ZINC000268525698 1140951959 /nfs/dbraw/zinc/95/19/59/1140951959.db2.gz XPTNSINOWUQKQB-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)n1 ZINC000268525698 1140951963 /nfs/dbraw/zinc/95/19/63/1140951963.db2.gz XPTNSINOWUQKQB-ZDUSSCGKSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)NCc2ccn3cc[nH+]c3c2)c(C)c1 ZINC000268626442 1140964323 /nfs/dbraw/zinc/96/43/23/1140964323.db2.gz YZTZOZAZGRYCCD-INIZCTEOSA-N 1 2 336.439 3.854 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268993376 1141041744 /nfs/dbraw/zinc/04/17/44/1141041744.db2.gz WUSUMXWBDANOPD-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000268993376 1141041751 /nfs/dbraw/zinc/04/17/51/1141041751.db2.gz WUSUMXWBDANOPD-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000269136364 1141071265 /nfs/dbraw/zinc/07/12/65/1141071265.db2.gz RSTNWJNZACINHV-PBHICJAKSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C ZINC000269136364 1141071273 /nfs/dbraw/zinc/07/12/73/1141071273.db2.gz RSTNWJNZACINHV-PBHICJAKSA-N 1 2 329.396 3.509 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000269788590 1141144314 /nfs/dbraw/zinc/14/43/14/1141144314.db2.gz IOTNCNNAXYOSJE-KBXCAEBGSA-N 1 2 338.455 3.657 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000269788594 1141144377 /nfs/dbraw/zinc/14/43/77/1141144377.db2.gz IOTNCNNAXYOSJE-KSSFIOAISA-N 1 2 338.455 3.657 20 0 EHADLO O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269936483 1141160968 /nfs/dbraw/zinc/16/09/68/1141160968.db2.gz BTKNQCWQVTUYRV-INIZCTEOSA-N 1 2 347.422 3.883 20 0 EHADLO CC(C)(C)O[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000270023963 1141168838 /nfs/dbraw/zinc/16/88/38/1141168838.db2.gz OWMXHQPCDPJIGF-IRXDYDNUSA-N 1 2 341.455 3.672 20 0 EHADLO CC(C)(C)O[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000270023961 1141168910 /nfs/dbraw/zinc/16/89/10/1141168910.db2.gz OWMXHQPCDPJIGF-IAGOWNOFSA-N 1 2 341.455 3.672 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ncc(Br)s1 ZINC000270291012 1141202802 /nfs/dbraw/zinc/20/28/02/1141202802.db2.gz ZRVWCBAXNDECSR-GZMMTYOYSA-N 1 2 339.258 3.949 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)no1 ZINC000270338406 1141208972 /nfs/dbraw/zinc/20/89/72/1141208972.db2.gz PRUKHIRVBYERLR-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)no1 ZINC000270338406 1141208976 /nfs/dbraw/zinc/20/89/76/1141208976.db2.gz PRUKHIRVBYERLR-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270364507 1141213103 /nfs/dbraw/zinc/21/31/03/1141213103.db2.gz SJPOQINYQQUHJW-ACCUITESSA-N 1 2 329.831 3.873 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)ccc1OC ZINC000270630717 1141248175 /nfs/dbraw/zinc/24/81/75/1141248175.db2.gz FQRFHNPMBBZQOH-CQSZACIVSA-N 1 2 346.475 3.796 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000271125172 1141311134 /nfs/dbraw/zinc/31/11/34/1141311134.db2.gz GUVJMYYEVNMGBU-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000271125172 1141311141 /nfs/dbraw/zinc/31/11/41/1141311141.db2.gz GUVJMYYEVNMGBU-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nc2ccc(Cl)cc2n1C ZINC000271697342 1141420853 /nfs/dbraw/zinc/42/08/53/1141420853.db2.gz LCXNWLQYWPMTDA-HZMBPMFUSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1nc2ccc(Cl)cc2n1C ZINC000271697342 1141420856 /nfs/dbraw/zinc/42/08/56/1141420856.db2.gz LCXNWLQYWPMTDA-HZMBPMFUSA-N 1 2 329.835 3.678 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2nc(Cl)ccc2Cl)cc1 ZINC000274321689 1141497517 /nfs/dbraw/zinc/49/75/17/1141497517.db2.gz OWHJKMBNVQXHNM-AWEZNQCLSA-N 1 2 341.238 3.610 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000274341346 1141499575 /nfs/dbraw/zinc/49/95/75/1141499575.db2.gz IKIOAEBHJXZKHH-CQSZACIVSA-N 1 2 349.862 3.541 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000274341346 1141499584 /nfs/dbraw/zinc/49/95/84/1141499584.db2.gz IKIOAEBHJXZKHH-CQSZACIVSA-N 1 2 349.862 3.541 20 0 EHADLO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1C(C)C ZINC000339152630 1141511962 /nfs/dbraw/zinc/51/19/62/1141511962.db2.gz OJLSMNIMRHQXJS-UHFFFAOYSA-N 1 2 340.402 3.632 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000348573046 1141553488 /nfs/dbraw/zinc/55/34/88/1141553488.db2.gz VFWMQRNMPNBKCK-DOTOQJQBSA-N 1 2 343.496 3.636 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000348573046 1141553492 /nfs/dbraw/zinc/55/34/92/1141553492.db2.gz VFWMQRNMPNBKCK-DOTOQJQBSA-N 1 2 343.496 3.636 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2ncc(Br)s2)ccn1 ZINC000348755598 1141575537 /nfs/dbraw/zinc/57/55/37/1141575537.db2.gz NCABWBKFCZYCGF-DTWKUNHWSA-N 1 2 342.262 3.721 20 0 EHADLO COc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1OC(C)C ZINC000348883512 1141603694 /nfs/dbraw/zinc/60/36/94/1141603694.db2.gz ZKEWBOIFIIBYLD-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO COc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1OC(C)C ZINC000348883512 1141603696 /nfs/dbraw/zinc/60/36/96/1141603696.db2.gz ZKEWBOIFIIBYLD-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000298520231 522414336 /nfs/dbraw/zinc/41/43/36/522414336.db2.gz UWIOQMVCYMDLGX-JTQLQIEISA-N 1 2 325.311 3.518 20 0 EHADLO CO[C@@H](C)c1nc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cs1 ZINC000275524207 564009135 /nfs/dbraw/zinc/00/91/35/564009135.db2.gz BTMBLFNFFQQFGF-BLLLJJGKSA-N 1 2 346.500 3.790 20 0 EHADLO Cc1nc(N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)c(C)c(C)[nH+]1 ZINC000351293884 564151814 /nfs/dbraw/zinc/15/18/14/564151814.db2.gz YLEKUBWLIAQTJE-GFCCVEGCSA-N 1 2 339.365 3.528 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826351415 608728931 /nfs/dbraw/zinc/72/89/31/608728931.db2.gz LTROAVGSCMUWEE-CQSZACIVSA-N 1 2 331.832 3.529 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826351415 608728932 /nfs/dbraw/zinc/72/89/32/608728932.db2.gz LTROAVGSCMUWEE-CQSZACIVSA-N 1 2 331.832 3.529 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826269466 609158609 /nfs/dbraw/zinc/15/86/09/609158609.db2.gz MYKPNIHXLXJUKY-OAHLLOKOSA-N 1 2 348.454 3.948 20 0 EHADLO O=C([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001595244968 949511093 /nfs/dbraw/zinc/51/10/93/949511093.db2.gz JKCPOOFLPIKOKF-WOJBJXKFSA-N 1 2 347.418 3.600 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153276714 1125464770 /nfs/dbraw/zinc/46/47/70/1125464770.db2.gz WGXQMJVFZDZPMI-FQEVSTJZSA-N 1 2 347.418 3.598 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000528316319 1032066093 /nfs/dbraw/zinc/06/60/93/1032066093.db2.gz FDCZKYOBFJJGSS-UHFFFAOYSA-N 1 2 337.423 3.598 20 0 EHADLO C[C@H]([NH2+]Cc1cncc(Br)c1)c1c(F)cccc1F ZINC000163898766 1032082317 /nfs/dbraw/zinc/08/23/17/1032082317.db2.gz DFQGNMDXCYVTPT-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)ccc2[nH+]1 ZINC000339276600 1014145165 /nfs/dbraw/zinc/14/51/65/1014145165.db2.gz UOIHFHJBMCOOHQ-UHFFFAOYSA-N 1 2 349.369 3.594 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cn(C)nc3C(F)F)[C@H](C)CO2)c1 ZINC000274509439 1014158650 /nfs/dbraw/zinc/15/86/50/1014158650.db2.gz UTOQKGBQFRWZLC-PBHICJAKSA-N 1 2 349.425 3.937 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)[C@H](C)CO2)c1 ZINC000274509439 1014158653 /nfs/dbraw/zinc/15/86/53/1014158653.db2.gz UTOQKGBQFRWZLC-PBHICJAKSA-N 1 2 349.425 3.937 20 0 EHADLO O=C(CC[C@@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044569008 1014171113 /nfs/dbraw/zinc/17/11/13/1014171113.db2.gz NNYSQSJOBAQSSJ-SFHVURJKSA-N 1 2 339.439 3.784 20 0 EHADLO CCc1nocc1C[NH2+]Cc1nc(COC)sc1-c1ccccc1 ZINC000339387356 1014319664 /nfs/dbraw/zinc/31/96/64/1014319664.db2.gz IKIVBONHWNQZMM-UHFFFAOYSA-N 1 2 343.452 3.797 20 0 EHADLO CCSc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000274634580 1014377909 /nfs/dbraw/zinc/37/79/09/1014377909.db2.gz ZTCQFHHBEZVNJD-UHFFFAOYSA-N 1 2 349.521 3.834 20 0 EHADLO CCSc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000274634580 1014377920 /nfs/dbraw/zinc/37/79/20/1014377920.db2.gz ZTCQFHHBEZVNJD-UHFFFAOYSA-N 1 2 349.521 3.834 20 0 EHADLO C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001592445071 978108104 /nfs/dbraw/zinc/10/81/04/978108104.db2.gz JCEIRGMNKABMSD-IEBWSBKVSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001592445071 978108105 /nfs/dbraw/zinc/10/81/05/978108105.db2.gz JCEIRGMNKABMSD-IEBWSBKVSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000510047164 1014473817 /nfs/dbraw/zinc/47/38/17/1014473817.db2.gz FENFQHAWRREYKW-GPMSIDNRSA-N 1 2 325.456 3.734 20 0 EHADLO C[C@@H]1CC=C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000904498417 1032094274 /nfs/dbraw/zinc/09/42/74/1032094274.db2.gz ZZEHPKPTXLHMCU-OAHLLOKOSA-N 1 2 339.439 3.772 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000339472441 1014540072 /nfs/dbraw/zinc/54/00/72/1014540072.db2.gz YMOLBQWKMSGEOB-UXPWSPDFSA-N 1 2 345.446 3.693 20 0 EHADLO CC(C)[C@H](CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339475288 1014547786 /nfs/dbraw/zinc/54/77/86/1014547786.db2.gz XJERKWOZHRWTDL-ROUUACIJSA-N 1 2 325.456 3.566 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497786 1032094892 /nfs/dbraw/zinc/09/48/92/1032094892.db2.gz QEHUNPHWHQQBLV-QZTJIDSGSA-N 1 2 341.455 3.718 20 0 EHADLO C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1Cl ZINC000683162720 1014639749 /nfs/dbraw/zinc/63/97/49/1014639749.db2.gz GWAISNQVBZKDKO-UHFFFAOYSA-N 1 2 344.636 3.820 20 0 EHADLO C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1Cl ZINC000683162720 1014639759 /nfs/dbraw/zinc/63/97/59/1014639759.db2.gz GWAISNQVBZKDKO-UHFFFAOYSA-N 1 2 344.636 3.820 20 0 EHADLO CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(C(=O)[O-])sc2C)CC1 ZINC001595388269 980944422 /nfs/dbraw/zinc/94/44/22/980944422.db2.gz QTDUEJUFRMLGQW-UHFFFAOYSA-N 1 2 336.501 3.595 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(O)c(C(C)C)c1 ZINC000547659177 1014784793 /nfs/dbraw/zinc/78/47/93/1014784793.db2.gz WHDYEFCALYCPOI-OAHLLOKOSA-N 1 2 341.455 3.580 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1Cl ZINC000537529175 1033580903 /nfs/dbraw/zinc/58/09/03/1033580903.db2.gz WGEACMNUKTYCHO-UHFFFAOYSA-N 1 2 330.737 3.793 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)s1 ZINC000728196756 1014943963 /nfs/dbraw/zinc/94/39/63/1014943963.db2.gz OLMZWVOYOVQUKI-OAHLLOKOSA-N 1 2 332.444 3.601 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)s1 ZINC000728196756 1014943972 /nfs/dbraw/zinc/94/39/72/1014943972.db2.gz OLMZWVOYOVQUKI-OAHLLOKOSA-N 1 2 332.444 3.601 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000536673576 1032107332 /nfs/dbraw/zinc/10/73/32/1032107332.db2.gz MPTDQBCWBHGRMO-JOCHJYFZSA-N 1 2 347.462 3.679 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000536673576 1032107337 /nfs/dbraw/zinc/10/73/37/1032107337.db2.gz MPTDQBCWBHGRMO-JOCHJYFZSA-N 1 2 347.462 3.679 20 0 EHADLO Fc1cccc(CC2CC[NH+](Cn3ccc(C(F)(F)F)n3)CC2)c1 ZINC000065941676 1015000051 /nfs/dbraw/zinc/00/00/51/1015000051.db2.gz LFVOZRMQCFLAPM-UHFFFAOYSA-N 1 2 341.352 3.953 20 0 EHADLO FC(F)(F)Oc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001204423530 1015028104 /nfs/dbraw/zinc/02/81/04/1015028104.db2.gz GITGPPAFPUSEPL-UHFFFAOYSA-N 1 2 336.357 3.907 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000274800198 1015230878 /nfs/dbraw/zinc/23/08/78/1015230878.db2.gz QTNGCGHIERYASL-IAGOWNOFSA-N 1 2 345.487 3.734 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579851260 1015249165 /nfs/dbraw/zinc/24/91/65/1015249165.db2.gz LZVAKHOKECVYBB-QAPCUYQASA-N 1 2 343.471 3.891 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579851260 1015249172 /nfs/dbraw/zinc/24/91/72/1015249172.db2.gz LZVAKHOKECVYBB-QAPCUYQASA-N 1 2 343.471 3.891 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471181181 1015319300 /nfs/dbraw/zinc/31/93/00/1015319300.db2.gz CZVHVRDEPCIPGC-NRFANRHFSA-N 1 2 349.478 3.981 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471181181 1015319305 /nfs/dbraw/zinc/31/93/05/1015319305.db2.gz CZVHVRDEPCIPGC-NRFANRHFSA-N 1 2 349.478 3.981 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975194 1015357994 /nfs/dbraw/zinc/35/79/94/1015357994.db2.gz GLZKKOBPSFGBEJ-UHFFFAOYSA-N 1 2 344.455 3.636 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975194 1015358004 /nfs/dbraw/zinc/35/80/04/1015358004.db2.gz GLZKKOBPSFGBEJ-UHFFFAOYSA-N 1 2 344.455 3.636 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC(F)(F)CC2)c1Cl ZINC000859537382 1015404559 /nfs/dbraw/zinc/40/45/59/1015404559.db2.gz AGICSAXXWCLYFR-UHFFFAOYSA-N 1 2 331.716 3.714 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC(F)(F)CC2)c1Cl ZINC000859537382 1015404563 /nfs/dbraw/zinc/40/45/63/1015404563.db2.gz AGICSAXXWCLYFR-UHFFFAOYSA-N 1 2 331.716 3.714 20 0 EHADLO CCc1oc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1C(=O)[O-] ZINC001597801387 989394769 /nfs/dbraw/zinc/39/47/69/989394769.db2.gz BXBRXOJNVVZUEL-UHFFFAOYSA-N 1 2 348.487 3.675 20 0 EHADLO Fc1cccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CCC2)c1 ZINC000932406589 1015523676 /nfs/dbraw/zinc/52/36/76/1015523676.db2.gz JVAZQBSOMPMYMU-UHFFFAOYSA-N 1 2 338.386 3.825 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CCC2)c1 ZINC000932406589 1015523695 /nfs/dbraw/zinc/52/36/95/1015523695.db2.gz JVAZQBSOMPMYMU-UHFFFAOYSA-N 1 2 338.386 3.825 20 0 EHADLO Cc1c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n[nH]c1C(C)C ZINC000655407720 1015576703 /nfs/dbraw/zinc/57/67/03/1015576703.db2.gz MVLMUCUGKVQRTP-OAHLLOKOSA-N 1 2 334.851 3.736 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191540 990782564 /nfs/dbraw/zinc/78/25/64/990782564.db2.gz LALPEMKVSDOKPH-GJZGRUSLSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001598191540 990782571 /nfs/dbraw/zinc/78/25/71/990782571.db2.gz LALPEMKVSDOKPH-GJZGRUSLSA-N 1 2 345.270 3.535 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339783100 1015668926 /nfs/dbraw/zinc/66/89/26/1015668926.db2.gz BWFYXKGLRHKDEK-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000339783100 1015668931 /nfs/dbraw/zinc/66/89/31/1015668931.db2.gz BWFYXKGLRHKDEK-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339826254 1015712165 /nfs/dbraw/zinc/71/21/65/1015712165.db2.gz CEHFHRNEJMLVLI-NWDGAFQWSA-N 1 2 344.352 3.586 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339826254 1015712169 /nfs/dbraw/zinc/71/21/69/1015712169.db2.gz CEHFHRNEJMLVLI-NWDGAFQWSA-N 1 2 344.352 3.586 20 0 EHADLO COc1cc(C)nc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000339840672 1015736706 /nfs/dbraw/zinc/73/67/06/1015736706.db2.gz FBHHOCUFPHMNCD-IBGZPJMESA-N 1 2 344.430 3.719 20 0 EHADLO COc1cc(C)nc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000339840672 1015736708 /nfs/dbraw/zinc/73/67/08/1015736708.db2.gz FBHHOCUFPHMNCD-IBGZPJMESA-N 1 2 344.430 3.719 20 0 EHADLO CCC1(CC)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000275048071 1015811006 /nfs/dbraw/zinc/81/10/06/1015811006.db2.gz UDDFDFHXENTAJL-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO Fc1ccc(N2CC[NH+](CCc3cc(F)cc(F)c3)CC2)c(F)c1 ZINC001209140808 1015848644 /nfs/dbraw/zinc/84/86/44/1015848644.db2.gz ONGVRHQHJQNGIC-UHFFFAOYSA-N 1 2 338.348 3.608 20 0 EHADLO Cc1ccc(C)n1C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000340013757 1016121043 /nfs/dbraw/zinc/12/10/43/1016121043.db2.gz GHWROVGUEKBJFC-UHFFFAOYSA-N 1 2 325.460 3.558 20 0 EHADLO Cc1ccc(C)n1C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000340013757 1016121051 /nfs/dbraw/zinc/12/10/51/1016121051.db2.gz GHWROVGUEKBJFC-UHFFFAOYSA-N 1 2 325.460 3.558 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000047514845 1016143560 /nfs/dbraw/zinc/14/35/60/1016143560.db2.gz QGZUPKKBWDGBKZ-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO COc1ccc2c(c1)nc(Cl)cc2N1CCC(n2cc[nH+]c2)CC1 ZINC001167125963 1016207117 /nfs/dbraw/zinc/20/71/17/1016207117.db2.gz LUAOYZDCSNTOIN-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO COc1cc(CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)ccc1SC ZINC001625852461 1016217743 /nfs/dbraw/zinc/21/77/43/1016217743.db2.gz NZHLTMJBKXDGRS-UHFFFAOYSA-N 1 2 341.436 3.566 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000120511495 1016276295 /nfs/dbraw/zinc/27/62/95/1016276295.db2.gz LEBJVDXBNLQTLX-CYBMUJFWSA-N 1 2 326.469 3.950 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000120511495 1016276301 /nfs/dbraw/zinc/27/63/01/1016276301.db2.gz LEBJVDXBNLQTLX-CYBMUJFWSA-N 1 2 326.469 3.950 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1F ZINC000025417587 1016286357 /nfs/dbraw/zinc/28/63/57/1016286357.db2.gz QMNTYXUQFUZZMW-OAQYLSRUSA-N 1 2 349.409 3.847 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[C@H](C)CC3)cn2c1 ZINC000247034827 1016330915 /nfs/dbraw/zinc/33/09/15/1016330915.db2.gz DYMZFSLSRYYRCN-CTYIDZIISA-N 1 2 331.485 3.571 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000181375773 1016411781 /nfs/dbraw/zinc/41/17/81/1016411781.db2.gz DYLKYPQNFDELDT-KGLIPLIRSA-N 1 2 342.443 3.732 20 0 EHADLO Cc1nc(N2CCc3ccc(=O)[nH]c3CC2)cc(C2CCCCC2)[nH+]1 ZINC001167165622 1016428659 /nfs/dbraw/zinc/42/86/59/1016428659.db2.gz BBRVBVXZGYVKJX-UHFFFAOYSA-N 1 2 338.455 3.539 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000340142818 1016448950 /nfs/dbraw/zinc/44/89/50/1016448950.db2.gz JSPBQOMBRHQDHU-UHFFFAOYSA-N 1 2 335.517 3.681 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000119144751 1016464974 /nfs/dbraw/zinc/46/49/74/1016464974.db2.gz UPDIOUNGQHFDEV-QGZVFWFLSA-N 1 2 330.476 3.546 20 0 EHADLO Clc1ccc2sc(CNc3cc(N4CCCC4)nc[nH+]3)nc2c1 ZINC000683386828 1016559361 /nfs/dbraw/zinc/55/93/61/1016559361.db2.gz QAMSGCSNXPLDAK-UHFFFAOYSA-N 1 2 345.859 3.952 20 0 EHADLO Clc1ccc2sc(CNc3cc(N4CCCC4)[nH+]cn3)nc2c1 ZINC000683386828 1016559371 /nfs/dbraw/zinc/55/93/71/1016559371.db2.gz QAMSGCSNXPLDAK-UHFFFAOYSA-N 1 2 345.859 3.952 20 0 EHADLO c1ccc([C@H](CC2CC2)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000683391156 1016585689 /nfs/dbraw/zinc/58/56/89/1016585689.db2.gz RZMNDTPRHHLXRA-KRWDZBQOSA-N 1 2 340.496 3.983 20 0 EHADLO c1ccc([C@H](CC2CC2)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000683391156 1016585697 /nfs/dbraw/zinc/58/56/97/1016585697.db2.gz RZMNDTPRHHLXRA-KRWDZBQOSA-N 1 2 340.496 3.983 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1OC ZINC000340188781 1016643850 /nfs/dbraw/zinc/64/38/50/1016643850.db2.gz NNZYVEBXZSFDJO-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1OC ZINC000340188781 1016643862 /nfs/dbraw/zinc/64/38/62/1016643862.db2.gz NNZYVEBXZSFDJO-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)sc1C ZINC000533608154 1016707219 /nfs/dbraw/zinc/70/72/19/1016707219.db2.gz WSHUYYVVDCXUNM-LBPRGKRZSA-N 1 2 337.439 3.921 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000178745491 1016769221 /nfs/dbraw/zinc/76/92/21/1016769221.db2.gz AXCHEUDASNZMEE-GOSISDBHSA-N 1 2 342.393 3.826 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000178745491 1016769236 /nfs/dbraw/zinc/76/92/36/1016769236.db2.gz AXCHEUDASNZMEE-GOSISDBHSA-N 1 2 342.393 3.826 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@H](c3cccs3)c3nnc[nH]3)c[nH]c21 ZINC000340257902 1016808506 /nfs/dbraw/zinc/80/85/06/1016808506.db2.gz LANXMKNSGFVNBM-QGZVFWFLSA-N 1 2 337.452 3.578 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955257 1016849656 /nfs/dbraw/zinc/84/96/56/1016849656.db2.gz PMMMSWIQOLZRRM-QFBILLFUSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955257 1016849673 /nfs/dbraw/zinc/84/96/73/1016849673.db2.gz PMMMSWIQOLZRRM-QFBILLFUSA-N 1 2 347.462 3.849 20 0 EHADLO COc1cc([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc2ccccc21 ZINC000890792755 1016873240 /nfs/dbraw/zinc/87/32/40/1016873240.db2.gz AYPJCMMARZLNNZ-CABCVRRESA-N 1 2 337.423 3.873 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793143 1016875690 /nfs/dbraw/zinc/87/56/90/1016875690.db2.gz FXJPBXDOZFQDSS-KBPBESRZSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793143 1016875702 /nfs/dbraw/zinc/87/57/02/1016875702.db2.gz FXJPBXDOZFQDSS-KBPBESRZSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793995 1016879068 /nfs/dbraw/zinc/87/90/68/1016879068.db2.gz PLMMHQNBILGXBC-CSMYWGQOSA-N 1 2 335.407 3.552 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793995 1016879084 /nfs/dbraw/zinc/87/90/84/1016879084.db2.gz PLMMHQNBILGXBC-CSMYWGQOSA-N 1 2 335.407 3.552 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)c1 ZINC000376625042 1016957066 /nfs/dbraw/zinc/95/70/66/1016957066.db2.gz BWLDVMLHWYWKEJ-INIZCTEOSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)c1 ZINC000376625042 1016957074 /nfs/dbraw/zinc/95/70/74/1016957074.db2.gz BWLDVMLHWYWKEJ-INIZCTEOSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000659819259 1017066342 /nfs/dbraw/zinc/06/63/42/1017066342.db2.gz DZZWHTAMSMSFQT-UHFFFAOYSA-N 1 2 333.863 3.653 20 0 EHADLO Cc1nc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000659819259 1017066357 /nfs/dbraw/zinc/06/63/57/1017066357.db2.gz DZZWHTAMSMSFQT-UHFFFAOYSA-N 1 2 333.863 3.653 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000080570040 1032155922 /nfs/dbraw/zinc/15/59/22/1032155922.db2.gz NTGOZVWNUHDRJY-QGZVFWFLSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000080570040 1032155933 /nfs/dbraw/zinc/15/59/33/1032155933.db2.gz NTGOZVWNUHDRJY-QGZVFWFLSA-N 1 2 346.377 3.577 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 ZINC000183017310 1032157843 /nfs/dbraw/zinc/15/78/43/1032157843.db2.gz YRAZJMVPUUYJIV-UHFFFAOYSA-N 1 2 349.525 3.722 20 0 EHADLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(C4CCCCC4)cc3)CC2)[nH]1 ZINC000343747628 1032158702 /nfs/dbraw/zinc/15/87/02/1032158702.db2.gz SDNKPPUOUKTNOG-UHFFFAOYSA-N 1 2 340.471 3.938 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ncccc2Cl)C[C@H]2CCCO2)c1 ZINC000528356255 1032161740 /nfs/dbraw/zinc/16/17/40/1032161740.db2.gz DFJYRJKIPFULAG-QGZVFWFLSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2ncccc2Cl)C[C@H]2CCCO2)c1 ZINC000528356255 1032161744 /nfs/dbraw/zinc/16/17/44/1032161744.db2.gz DFJYRJKIPFULAG-QGZVFWFLSA-N 1 2 346.858 3.925 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000528355545 1032165052 /nfs/dbraw/zinc/16/50/52/1032165052.db2.gz CTMMWBBODKBDMS-HNNXBMFYSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000528355545 1032165057 /nfs/dbraw/zinc/16/50/57/1032165057.db2.gz CTMMWBBODKBDMS-HNNXBMFYSA-N 1 2 340.345 3.875 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459473509 1032187361 /nfs/dbraw/zinc/18/73/61/1032187361.db2.gz DAGFMWNDTQXGIR-CQSZACIVSA-N 1 2 335.904 3.718 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)s2)o1 ZINC000183270039 1032188065 /nfs/dbraw/zinc/18/80/65/1032188065.db2.gz KICCZQCIJQQGQT-UHFFFAOYSA-N 1 2 337.404 3.894 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(Cl)c1 ZINC000459498686 1032196404 /nfs/dbraw/zinc/19/64/04/1032196404.db2.gz BZVGAWOMJJCSMX-DCGLDWPTSA-N 1 2 327.827 3.556 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(Cl)c1 ZINC000459498686 1032196413 /nfs/dbraw/zinc/19/64/13/1032196413.db2.gz BZVGAWOMJJCSMX-DCGLDWPTSA-N 1 2 327.827 3.556 20 0 EHADLO Cn1cc(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)cn1 ZINC000183713639 1032197813 /nfs/dbraw/zinc/19/78/13/1032197813.db2.gz KDEKPLAHMCBYAK-INIZCTEOSA-N 1 2 346.228 3.655 20 0 EHADLO O=C(Cc1ccccc1OC(F)F)Nc1ccccc1-n1cc[nH+]c1 ZINC000118311723 1032198977 /nfs/dbraw/zinc/19/89/77/1032198977.db2.gz NVMOSIVRNYEUDT-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc(C2CC2)[nH]1 ZINC000459502833 1032203796 /nfs/dbraw/zinc/20/37/96/1032203796.db2.gz FFFVXSQZPYMJQP-MRXNPFEDSA-N 1 2 331.366 3.675 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc(C2CC2)[nH]1 ZINC000459502833 1032203805 /nfs/dbraw/zinc/20/38/05/1032203805.db2.gz FFFVXSQZPYMJQP-MRXNPFEDSA-N 1 2 331.366 3.675 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cccc(NC(=O)C3CCC3)c2)[nH+]1 ZINC000080946836 1032223279 /nfs/dbraw/zinc/22/32/79/1032223279.db2.gz BLTUEKGJZZEJKD-UHFFFAOYSA-N 1 2 335.411 3.617 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)sc1C ZINC000080652360 1032224983 /nfs/dbraw/zinc/22/49/83/1032224983.db2.gz ZGEDFVPWYQQWOL-HNNXBMFYSA-N 1 2 333.432 3.502 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)sc1C ZINC000080652360 1032225001 /nfs/dbraw/zinc/22/50/01/1032225001.db2.gz ZGEDFVPWYQQWOL-HNNXBMFYSA-N 1 2 333.432 3.502 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC)c1nnc2n1CCCCC2 ZINC000449113872 1032237512 /nfs/dbraw/zinc/23/75/12/1032237512.db2.gz XXSADVSVEHHDBX-MRXNPFEDSA-N 1 2 328.460 3.562 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)co1 ZINC000528409651 1032247652 /nfs/dbraw/zinc/24/76/52/1032247652.db2.gz XMIQROWYJGAXCF-GOSISDBHSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)co1 ZINC000528409651 1032247661 /nfs/dbraw/zinc/24/76/61/1032247661.db2.gz XMIQROWYJGAXCF-GOSISDBHSA-N 1 2 347.480 3.670 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000459551370 1032270743 /nfs/dbraw/zinc/27/07/43/1032270743.db2.gz VPAJSOFALYVPDN-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000459551370 1032270754 /nfs/dbraw/zinc/27/07/54/1032270754.db2.gz VPAJSOFALYVPDN-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccco2)cc1 ZINC000459563375 1032288847 /nfs/dbraw/zinc/28/88/47/1032288847.db2.gz PYYWYIGXKAACTE-IBGZPJMESA-N 1 2 335.407 3.835 20 0 EHADLO COc1ccc(-n2cc(C[NH2+]Cc3nc(C4CC4)cs3)cn2)cc1 ZINC000449196200 1032290522 /nfs/dbraw/zinc/29/05/22/1032290522.db2.gz WVQIUWJEHVCKOA-UHFFFAOYSA-N 1 2 340.452 3.505 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000568765754 1032299381 /nfs/dbraw/zinc/29/93/81/1032299381.db2.gz ZTJZFUSGZOEFPI-JLSDUUJJSA-N 1 2 335.407 3.593 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184856299 1032326372 /nfs/dbraw/zinc/32/63/72/1032326372.db2.gz CWWLCOUAUVDACK-OAHLLOKOSA-N 1 2 335.407 3.939 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899882 1032329694 /nfs/dbraw/zinc/32/96/94/1032329694.db2.gz BRIAATPHCHDRFS-KGLIPLIRSA-N 1 2 329.444 3.686 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccc(C)cc1OC(C)(C)C ZINC000538420400 1032348647 /nfs/dbraw/zinc/34/86/47/1032348647.db2.gz PAWNBYQGZICENB-UHFFFAOYSA-N 1 2 331.412 3.842 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1C ZINC000459632521 1032348833 /nfs/dbraw/zinc/34/88/33/1032348833.db2.gz NMUOCGUNLGOCSY-MNOVXSKESA-N 1 2 334.441 3.732 20 0 EHADLO CC[C@](O)(C[NH2+][C@H](c1cccc(F)c1)c1ccccn1)C(F)(F)F ZINC000905189864 1032367458 /nfs/dbraw/zinc/36/74/58/1032367458.db2.gz ILQLOYPRIUQSSD-CVEARBPZSA-N 1 2 342.336 3.603 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(CCc3ccccc3)s2)s1 ZINC000449240337 1032374436 /nfs/dbraw/zinc/37/44/36/1032374436.db2.gz YMRKEBBFNOKHCY-LBPRGKRZSA-N 1 2 344.509 3.939 20 0 EHADLO CC(C)[N@@H+]1CCc2nc(CN[C@@H]3C[C@H]3c3ccccc3F)sc2C1 ZINC000459653453 1032376739 /nfs/dbraw/zinc/37/67/39/1032376739.db2.gz CFONFEWSHNCLGP-WMLDXEAASA-N 1 2 345.487 3.694 20 0 EHADLO CC(C)[N@H+]1CCc2nc(CN[C@@H]3C[C@H]3c3ccccc3F)sc2C1 ZINC000459653453 1032376745 /nfs/dbraw/zinc/37/67/45/1032376745.db2.gz CFONFEWSHNCLGP-WMLDXEAASA-N 1 2 345.487 3.694 20 0 EHADLO Cc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000081935940 1032388123 /nfs/dbraw/zinc/38/81/23/1032388123.db2.gz MACCLKMUSPZIBG-UHFFFAOYSA-N 1 2 329.787 3.998 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519805 1032397379 /nfs/dbraw/zinc/39/73/79/1032397379.db2.gz NSAPFCHZFWGCPP-WMZOPIPTSA-N 1 2 328.456 3.740 20 0 EHADLO O=C1[C@@H]([N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519805 1032397385 /nfs/dbraw/zinc/39/73/85/1032397385.db2.gz NSAPFCHZFWGCPP-WMZOPIPTSA-N 1 2 328.456 3.740 20 0 EHADLO Cc1cc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)ccc1F ZINC000538495291 1032398903 /nfs/dbraw/zinc/39/89/03/1032398903.db2.gz VWRKGXPZIXCRDJ-HXUWFJFHSA-N 1 2 341.430 3.929 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccncc1F ZINC000449260874 1032407836 /nfs/dbraw/zinc/40/78/36/1032407836.db2.gz YZCBWNAQTIOLBY-COXVUDFISA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1F ZINC000449260874 1032407844 /nfs/dbraw/zinc/40/78/44/1032407844.db2.gz YZCBWNAQTIOLBY-COXVUDFISA-N 1 2 334.435 3.696 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000084292967 1032438228 /nfs/dbraw/zinc/43/82/28/1032438228.db2.gz VKIWJGWZMWOJLB-ZDUSSCGKSA-N 1 2 340.814 3.631 20 0 EHADLO Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)sc3Cl)C2)n1 ZINC000449314191 1032448555 /nfs/dbraw/zinc/44/85/55/1032448555.db2.gz QMLRDMZMBFVGOM-VIFPVBQESA-N 1 2 343.283 3.637 20 0 EHADLO Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)sc3Cl)C2)n1 ZINC000449314191 1032448561 /nfs/dbraw/zinc/44/85/61/1032448561.db2.gz QMLRDMZMBFVGOM-VIFPVBQESA-N 1 2 343.283 3.637 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccn(C)n1 ZINC000459766749 1032469699 /nfs/dbraw/zinc/46/96/99/1032469699.db2.gz PSSJICRCVXVJGN-CQSZACIVSA-N 1 2 326.469 3.513 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ncc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000459769058 1032471240 /nfs/dbraw/zinc/47/12/40/1032471240.db2.gz LYKDUJRXXZSVDS-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ncc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000459769058 1032471243 /nfs/dbraw/zinc/47/12/43/1032471243.db2.gz LYKDUJRXXZSVDS-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000528595204 1032477153 /nfs/dbraw/zinc/47/71/53/1032477153.db2.gz ULGAPDRXZPLMOR-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000528595204 1032477157 /nfs/dbraw/zinc/47/71/57/1032477157.db2.gz ULGAPDRXZPLMOR-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO COc1cc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)ccc1C ZINC000528599596 1032484646 /nfs/dbraw/zinc/48/46/46/1032484646.db2.gz ZVPUKQZEDOZMPQ-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO COc1cc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)ccc1C ZINC000528599596 1032484650 /nfs/dbraw/zinc/48/46/50/1032484650.db2.gz ZVPUKQZEDOZMPQ-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000892719413 1017100007 /nfs/dbraw/zinc/10/00/07/1017100007.db2.gz GVONCCISBKZPAR-OAHLLOKOSA-N 1 2 343.452 3.898 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)C(C)(F)F)ccc1OCc1ccncc1 ZINC000449413888 1032517225 /nfs/dbraw/zinc/51/72/25/1032517225.db2.gz KNGXTEDMEUBYQY-ZDUSSCGKSA-N 1 2 336.382 3.803 20 0 EHADLO Nc1nc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH+]c2ccccc12 ZINC000089269110 1032521889 /nfs/dbraw/zinc/52/18/89/1032521889.db2.gz IRBVJVWCWADJFF-CVEARBPZSA-N 1 2 340.814 3.808 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cc(C)ccn2)sc1Br ZINC000449399702 1032522728 /nfs/dbraw/zinc/52/27/28/1032522728.db2.gz CRGMAPXECBCIQS-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccco1 ZINC000343941777 1032522913 /nfs/dbraw/zinc/52/29/13/1032522913.db2.gz AJMHGYCVMAWOJN-CQSZACIVSA-N 1 2 345.365 3.542 20 0 EHADLO Cc1oncc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000528632494 1032527139 /nfs/dbraw/zinc/52/71/39/1032527139.db2.gz CMSVJYISKQXYBQ-SSDOTTSWSA-N 1 2 331.160 3.875 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)N1CCCCC1 ZINC000537130607 1032529783 /nfs/dbraw/zinc/52/97/83/1032529783.db2.gz QVBAJLQUTAALRO-UHFFFAOYSA-N 1 2 327.255 3.585 20 0 EHADLO COCCCC1(C[NH2+]c2ccc(N3CCOC[C@H]3C)cc2)CCC1 ZINC000892381594 1032533739 /nfs/dbraw/zinc/53/37/39/1032533739.db2.gz WLOBWVPRUCNQPE-QGZVFWFLSA-N 1 2 332.488 3.921 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3c(F)cccc3Cl)cc(=O)n2c1 ZINC000537176870 1032548651 /nfs/dbraw/zinc/54/86/51/1032548651.db2.gz BXSVKVXFCSVNII-GFCCVEGCSA-N 1 2 345.805 3.646 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000449431905 1032549284 /nfs/dbraw/zinc/54/92/84/1032549284.db2.gz ZPMRJGUSOHRUAY-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000449431905 1032549291 /nfs/dbraw/zinc/54/92/91/1032549291.db2.gz ZPMRJGUSOHRUAY-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nc(-c2cccnc2)no1 ZINC000528647941 1032553531 /nfs/dbraw/zinc/55/35/31/1032553531.db2.gz FBFHOPKTUCTLGD-GUYCJALGSA-N 1 2 335.411 3.719 20 0 EHADLO O=C(CCCc1ccc2ccccc2c1)NCCNc1cccc[nH+]1 ZINC000537322610 1032629287 /nfs/dbraw/zinc/62/92/87/1032629287.db2.gz OTIYEMNDQMXUBZ-UHFFFAOYSA-N 1 2 333.435 3.786 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000449482620 1032629398 /nfs/dbraw/zinc/62/93/98/1032629398.db2.gz ZATZOLHIQYRMCR-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)c(C)[nH+]1 ZINC000593016968 1032643712 /nfs/dbraw/zinc/64/37/12/1032643712.db2.gz FDNVRNVQUZQYGQ-UHFFFAOYSA-N 1 2 341.411 3.609 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000685309388 1032676763 /nfs/dbraw/zinc/67/67/63/1032676763.db2.gz LBVHMYLHGIMEMQ-ZOBUZTSGSA-N 1 2 345.393 3.556 20 0 EHADLO O=C(c1cc(F)ccc1-c1ccoc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376756095 1017081321 /nfs/dbraw/zinc/08/13/21/1017081321.db2.gz BPUZRWRSWAUULH-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO O=C(c1cc(F)ccc1-c1ccoc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376756095 1017081334 /nfs/dbraw/zinc/08/13/34/1017081334.db2.gz BPUZRWRSWAUULH-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000376786913 1017113321 /nfs/dbraw/zinc/11/33/21/1017113321.db2.gz ILOSPZXFAPDQEE-ZIAGYGMSSA-N 1 2 339.395 3.664 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncoc2-c2ccccc2)c(F)cn1 ZINC000376859787 1017159007 /nfs/dbraw/zinc/15/90/07/1017159007.db2.gz NBGSUYDOOBLAHO-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000683520660 1017257648 /nfs/dbraw/zinc/25/76/48/1017257648.db2.gz JXPLTBLYJYHGOF-RDJZCZTQSA-N 1 2 343.858 3.853 20 0 EHADLO CS(=O)(=O)CCCC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000683529005 1017262804 /nfs/dbraw/zinc/26/28/04/1017262804.db2.gz IDWPCNSBLALZNX-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO CS(=O)(=O)CCCC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000683529005 1017262810 /nfs/dbraw/zinc/26/28/10/1017262810.db2.gz IDWPCNSBLALZNX-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(F)c2ccccc12 ZINC000377087397 1017313662 /nfs/dbraw/zinc/31/36/62/1017313662.db2.gz XMPDSHVTLWDZSQ-UHFFFAOYSA-N 1 2 337.398 3.784 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1nccs1 ZINC000683548635 1017315310 /nfs/dbraw/zinc/31/53/10/1017315310.db2.gz QQZZOBNUGNYERX-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1nccs1 ZINC000683548635 1017315330 /nfs/dbraw/zinc/31/53/30/1017315330.db2.gz QQZZOBNUGNYERX-HNNXBMFYSA-N 1 2 349.887 3.581 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000606448646 1032690987 /nfs/dbraw/zinc/69/09/87/1032690987.db2.gz DCFGJGYNZSVYOY-ZDUSSCGKSA-N 1 2 346.833 3.715 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000606448646 1032691003 /nfs/dbraw/zinc/69/10/03/1032691003.db2.gz DCFGJGYNZSVYOY-ZDUSSCGKSA-N 1 2 346.833 3.715 20 0 EHADLO CCCOc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000178301533 1017354609 /nfs/dbraw/zinc/35/46/09/1017354609.db2.gz ZWRAMRXTUXVBNK-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1nnc2ccccn21 ZINC000625302946 1017389624 /nfs/dbraw/zinc/38/96/24/1017389624.db2.gz FZCHTHDNXFTLOD-INIZCTEOSA-N 1 2 330.819 3.575 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OC2CCCC2)nn2c1CCCC2 ZINC000655710719 1017434120 /nfs/dbraw/zinc/43/41/20/1017434120.db2.gz CFOJXCBWOMQDFM-UHFFFAOYSA-N 1 2 325.456 3.831 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000151974685 1017471942 /nfs/dbraw/zinc/47/19/42/1017471942.db2.gz OKOQHSLGGMJVBR-QZTJIDSGSA-N 1 2 343.515 3.893 20 0 EHADLO c1[nH]c2ncccc2c1C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000091456850 1032702103 /nfs/dbraw/zinc/70/21/03/1032702103.db2.gz WGXUGNYKRHQYKW-UHFFFAOYSA-N 1 2 348.454 3.559 20 0 EHADLO c1[nH]c2ncccc2c1C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000091456850 1032702124 /nfs/dbraw/zinc/70/21/24/1032702124.db2.gz WGXUGNYKRHQYKW-UHFFFAOYSA-N 1 2 348.454 3.559 20 0 EHADLO Cc1nc(Nc2cccc3cc[nH]c32)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001210210150 1017540180 /nfs/dbraw/zinc/54/01/80/1017540180.db2.gz MKVJOUDFDPBAAE-STQMWFEESA-N 1 2 337.427 3.624 20 0 EHADLO COc1ccc([C@H](CCO)Nc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC000892839384 1017549737 /nfs/dbraw/zinc/54/97/37/1017549737.db2.gz LDWVLMFXBMXYKN-KRWDZBQOSA-N 1 2 327.428 3.597 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000655779605 1017573799 /nfs/dbraw/zinc/57/37/99/1017573799.db2.gz ONAXNZJCXYBIAQ-WBMJQRKESA-N 1 2 341.846 3.826 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C1CC1 ZINC000026324813 1017621095 /nfs/dbraw/zinc/62/10/95/1017621095.db2.gz MYPJGAJWFQYJRX-DOTOQJQBSA-N 1 2 340.389 3.528 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C1CC1 ZINC000026324813 1017621101 /nfs/dbraw/zinc/62/11/01/1017621101.db2.gz MYPJGAJWFQYJRX-DOTOQJQBSA-N 1 2 340.389 3.528 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000020544211 1017625333 /nfs/dbraw/zinc/62/53/33/1017625333.db2.gz BOLMKPDWTYFHFE-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794783 1017628724 /nfs/dbraw/zinc/62/87/24/1017628724.db2.gz RKKYPCPEOLUZKD-CVEARBPZSA-N 1 2 346.500 3.563 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)s1 ZINC000655796898 1017636663 /nfs/dbraw/zinc/63/66/63/1017636663.db2.gz KHLBJRRPMFOXGN-NXEZZACHSA-N 1 2 326.853 3.612 20 0 EHADLO c1csc([C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCCC2)c1 ZINC000655798776 1017638280 /nfs/dbraw/zinc/63/82/80/1017638280.db2.gz YIFWGJVZTCLEIF-XJKSGUPXSA-N 1 2 332.473 3.739 20 0 EHADLO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655798786 1017638325 /nfs/dbraw/zinc/63/83/25/1017638325.db2.gz YKTJKFAIWPYNGA-RHSMWYFYSA-N 1 2 344.459 3.542 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(C)cn1)c1cc(F)cc(Br)c1 ZINC000362565294 1017642084 /nfs/dbraw/zinc/64/20/84/1017642084.db2.gz AMJMETAEHGBSBG-AWEZNQCLSA-N 1 2 338.224 3.928 20 0 EHADLO C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340418006 1017645545 /nfs/dbraw/zinc/64/55/45/1017645545.db2.gz TYLBFVHHWHDYNN-LBPRGKRZSA-N 1 2 339.374 3.675 20 0 EHADLO CC(C)CO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000325544047 1017650357 /nfs/dbraw/zinc/65/03/57/1017650357.db2.gz AVDWNYBTJVSTEA-RBUKOAKNSA-N 1 2 332.488 3.775 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1ncc(Br)cn1 ZINC000340418760 1017679160 /nfs/dbraw/zinc/67/91/60/1017679160.db2.gz BWJMRTCIDUIPRT-NWDGAFQWSA-N 1 2 349.276 3.717 20 0 EHADLO CC(=Cc1ccc(Cl)cc1)C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655818626 1017683412 /nfs/dbraw/zinc/68/34/12/1017683412.db2.gz MLYFXNLMSLJDCD-SAAWKEMMSA-N 1 2 332.835 3.503 20 0 EHADLO Cc1ccccc1-c1cccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000655819646 1017692682 /nfs/dbraw/zinc/69/26/82/1017692682.db2.gz MUCCKUDJXVAJOV-IBGZPJMESA-N 1 2 348.450 3.921 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000377397660 1017743719 /nfs/dbraw/zinc/74/37/19/1017743719.db2.gz KOYYHKQTDJNHPX-APPDUMDISA-N 1 2 341.411 3.956 20 0 EHADLO Cc1[nH+]cc(Nc2nccc(C(F)(F)F)c2Br)cc1N ZINC001210288094 1017744973 /nfs/dbraw/zinc/74/49/73/1017744973.db2.gz KUTSOZHLYMSIDR-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2noc3ccccc23)cc1OC ZINC000655854741 1017790545 /nfs/dbraw/zinc/79/05/45/1017790545.db2.gz USAIOPFPGSYZRE-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO O=C(CCSc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000377434393 1017803515 /nfs/dbraw/zinc/80/35/15/1017803515.db2.gz MRIKKVBBOHEIJM-UHFFFAOYSA-N 1 2 349.887 3.882 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046898682 1017819081 /nfs/dbraw/zinc/81/90/81/1017819081.db2.gz WYZQUBJKZWHTAE-WMLDXEAASA-N 1 2 346.450 3.887 20 0 EHADLO c1ccc(C2CC(CNc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000549258827 1017917925 /nfs/dbraw/zinc/91/79/25/1017917925.db2.gz SPMMSXZPMFBCSX-UHFFFAOYSA-N 1 2 340.496 3.636 20 0 EHADLO c1ccc(C2CC(CNc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000549258827 1017917934 /nfs/dbraw/zinc/91/79/34/1017917934.db2.gz SPMMSXZPMFBCSX-UHFFFAOYSA-N 1 2 340.496 3.636 20 0 EHADLO COc1sc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1Br ZINC000449528219 1032730548 /nfs/dbraw/zinc/73/05/48/1032730548.db2.gz NWKONROMLWCHGE-LBPRGKRZSA-N 1 2 348.331 3.847 20 0 EHADLO COc1sc(C[N@H+]2CCSC[C@H]2C2CC2)cc1Br ZINC000449528219 1032730561 /nfs/dbraw/zinc/73/05/61/1032730561.db2.gz NWKONROMLWCHGE-LBPRGKRZSA-N 1 2 348.331 3.847 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000460490569 1017960268 /nfs/dbraw/zinc/96/02/68/1017960268.db2.gz METVPLYWBRRRKP-KRWDZBQOSA-N 1 2 333.435 3.850 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000066792946 1017980731 /nfs/dbraw/zinc/98/07/31/1017980731.db2.gz VPBGHOMEZMEKPA-KRWDZBQOSA-N 1 2 325.456 3.644 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000066792946 1017980741 /nfs/dbraw/zinc/98/07/41/1017980741.db2.gz VPBGHOMEZMEKPA-KRWDZBQOSA-N 1 2 325.456 3.644 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472800287 1018002401 /nfs/dbraw/zinc/00/24/01/1018002401.db2.gz VLNFKUKDLJNPFX-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1ccc(OCC[N@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472800287 1018002416 /nfs/dbraw/zinc/00/24/16/1018002416.db2.gz VLNFKUKDLJNPFX-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000066793517 1018014417 /nfs/dbraw/zinc/01/44/17/1018014417.db2.gz YBAPLTPGVVUDDA-GOSISDBHSA-N 1 2 339.483 3.596 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000066793517 1018014432 /nfs/dbraw/zinc/01/44/32/1018014432.db2.gz YBAPLTPGVVUDDA-GOSISDBHSA-N 1 2 339.483 3.596 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CCC3)n2)c2ccccc21 ZINC000892998873 1018106393 /nfs/dbraw/zinc/10/63/93/1018106393.db2.gz QFXKOWNSLCVCGA-QGZVFWFLSA-N 1 2 336.439 3.962 20 0 EHADLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000047501299 1018191644 /nfs/dbraw/zinc/19/16/44/1018191644.db2.gz NGXVYMYKMDUTOB-OAHLLOKOSA-N 1 2 334.423 3.707 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)c(F)cc1Cl ZINC000340511258 1018193457 /nfs/dbraw/zinc/19/34/57/1018193457.db2.gz KJJNTQQCKHDIBV-UHFFFAOYSA-N 1 2 342.201 3.760 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)sc21 ZINC000377695011 1018196248 /nfs/dbraw/zinc/19/62/48/1018196248.db2.gz LNZNSKVYXMWPSM-OAHLLOKOSA-N 1 2 325.437 3.884 20 0 EHADLO CCN(C(=O)C=C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000377781621 1018367605 /nfs/dbraw/zinc/36/76/05/1018367605.db2.gz DIKIGILINQZTLL-UHFFFAOYSA-N 1 2 344.503 3.692 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)cc2)n1 ZINC000377818763 1018422958 /nfs/dbraw/zinc/42/29/58/1018422958.db2.gz LZWSNPXZQCCOTP-CQSZACIVSA-N 1 2 338.436 3.900 20 0 EHADLO FC(F)(F)COc1cc(NCc2csc(C3CC3)n2)cc[nH+]1 ZINC000340557112 1018432089 /nfs/dbraw/zinc/43/20/89/1018432089.db2.gz KTKUQOLYWBQMKS-UHFFFAOYSA-N 1 2 329.347 3.969 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606580207 1032764863 /nfs/dbraw/zinc/76/48/63/1032764863.db2.gz DYOAAWILNBRUTA-HXUWFJFHSA-N 1 2 334.423 3.920 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000606583674 1032767072 /nfs/dbraw/zinc/76/70/72/1032767072.db2.gz JYIJEHCYXZCWBP-FUHWJXTLSA-N 1 2 334.423 3.867 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CC(C)(C)C2)CC1 ZINC000548046240 1018503422 /nfs/dbraw/zinc/50/34/22/1018503422.db2.gz OTQNDGQHCBBGCB-CQSZACIVSA-N 1 2 335.517 3.573 20 0 EHADLO Cc1nc([C@H](C)[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)no1 ZINC000377877070 1018504897 /nfs/dbraw/zinc/50/48/97/1018504897.db2.gz AXXWHQNCFFZYSH-NSHDSACASA-N 1 2 328.391 3.939 20 0 EHADLO Cc1ccc(NC(=O)Nc2ccc3[nH+]ccn3c2)cc1OC(F)F ZINC000606583657 1032768526 /nfs/dbraw/zinc/76/85/26/1032768526.db2.gz JMYMOBARADKDBY-UHFFFAOYSA-N 1 2 332.310 3.888 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)c1ncn(C)n1 ZINC000275753685 1018511773 /nfs/dbraw/zinc/51/17/73/1018511773.db2.gz SBBBKXVNQLSWPV-QMTHXVAHSA-N 1 2 338.427 3.858 20 0 EHADLO CC(C)OCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000893126099 1018572601 /nfs/dbraw/zinc/57/26/01/1018572601.db2.gz RPEFGHRSJZGRRE-UHFFFAOYSA-N 1 2 343.406 3.572 20 0 EHADLO CCc1nc(N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc(C)[nH+]1 ZINC000580057120 1018575037 /nfs/dbraw/zinc/57/50/37/1018575037.db2.gz WSBAHPYAVDQAPT-CJNGLKHVSA-N 1 2 331.847 3.967 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4coc(C5CCC5)n4)n3)c2)c[nH+]1 ZINC000685311138 1032779134 /nfs/dbraw/zinc/77/91/34/1032779134.db2.gz ONVOVUXXHBDDTH-UHFFFAOYSA-N 1 2 333.351 3.845 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000049998951 1018729886 /nfs/dbraw/zinc/72/98/86/1018729886.db2.gz JRXYUVNNYRWQIS-ZDUSSCGKSA-N 1 2 342.443 3.714 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253555851 1018734132 /nfs/dbraw/zinc/73/41/32/1018734132.db2.gz YKBQXDIPWNXPPH-CHWSQXEVSA-N 1 2 349.525 3.874 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253555851 1018734138 /nfs/dbraw/zinc/73/41/38/1018734138.db2.gz YKBQXDIPWNXPPH-CHWSQXEVSA-N 1 2 349.525 3.874 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000894156988 1018738638 /nfs/dbraw/zinc/73/86/38/1018738638.db2.gz QMNLPGIKJIEEPT-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO COc1cccc2c(N3CCC(C(=O)C(F)(F)F)CC3)cc[nH+]c12 ZINC000275804146 1018743885 /nfs/dbraw/zinc/74/38/85/1018743885.db2.gz KRFKBFTWSYBDGK-UHFFFAOYSA-N 1 2 338.329 3.591 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000126252870 1018759291 /nfs/dbraw/zinc/75/92/91/1018759291.db2.gz ZINOLISFTNYYKM-CQSZACIVSA-N 1 2 336.530 3.798 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000126252870 1018759305 /nfs/dbraw/zinc/75/93/05/1018759305.db2.gz ZINOLISFTNYYKM-CQSZACIVSA-N 1 2 336.530 3.798 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000126253054 1018760611 /nfs/dbraw/zinc/76/06/11/1018760611.db2.gz ZINOLISFTNYYKM-AWEZNQCLSA-N 1 2 336.530 3.798 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000126253054 1018760625 /nfs/dbraw/zinc/76/06/25/1018760625.db2.gz ZINOLISFTNYYKM-AWEZNQCLSA-N 1 2 336.530 3.798 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000056799476 1018799023 /nfs/dbraw/zinc/79/90/23/1018799023.db2.gz XDWULIOYUCJZRG-CQSZACIVSA-N 1 2 338.411 3.609 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](Cc3ccc4cnccc4c3)CCO2)cc1 ZINC000683840889 1018829223 /nfs/dbraw/zinc/82/92/23/1018829223.db2.gz KNAPCEIKEVWCTM-OAQYLSRUSA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](Cc3ccc4cnccc4c3)CCO2)cc1 ZINC000683840889 1018829239 /nfs/dbraw/zinc/82/92/39/1018829239.db2.gz KNAPCEIKEVWCTM-OAQYLSRUSA-N 1 2 334.419 3.515 20 0 EHADLO Cc1cc(C)n2c(C[NH+]3CC(c4cccc(Cl)c4)C3)cnc2n1 ZINC000449555505 1032791172 /nfs/dbraw/zinc/79/11/72/1032791172.db2.gz HKICISCSNIQODF-UHFFFAOYSA-N 1 2 326.831 3.599 20 0 EHADLO C[NH+](C)Cc1csc(CNC(=O)c2coc3ccc(Cl)cc23)n1 ZINC000927763714 1018912836 /nfs/dbraw/zinc/91/28/36/1018912836.db2.gz KMYSFEITPTZCQV-UHFFFAOYSA-N 1 2 349.843 3.534 20 0 EHADLO C[NH+](C)Cc1csc(CNC(=O)C=C2CCC(C(C)(C)C)CC2)n1 ZINC000927765609 1018949054 /nfs/dbraw/zinc/94/90/54/1018949054.db2.gz BOWHDJIDNKQENJ-UHFFFAOYSA-N 1 2 349.544 3.984 20 0 EHADLO Cc1ncc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C2CC2)n1 ZINC000614392674 1018951509 /nfs/dbraw/zinc/95/15/09/1018951509.db2.gz ZRAGIOXVJAAGFZ-MRXNPFEDSA-N 1 2 347.422 3.546 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ccn1 ZINC000580307040 1018956830 /nfs/dbraw/zinc/95/68/30/1018956830.db2.gz SXSDYLBWNDGRGF-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419376712 1018979116 /nfs/dbraw/zinc/97/91/16/1018979116.db2.gz SNSWETVWHLLHAT-DGCLKSJQSA-N 1 2 327.519 3.601 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419376712 1018979133 /nfs/dbraw/zinc/97/91/33/1018979133.db2.gz SNSWETVWHLLHAT-DGCLKSJQSA-N 1 2 327.519 3.601 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340643472 1019057953 /nfs/dbraw/zinc/05/79/53/1019057953.db2.gz VGVJZEJTZRMEOU-NSHDSACASA-N 1 2 328.803 3.564 20 0 EHADLO COCC1(C)CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000500975574 1019091531 /nfs/dbraw/zinc/09/15/31/1019091531.db2.gz GUFVTWWEPCQXJQ-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000052606503 1019111367 /nfs/dbraw/zinc/11/13/67/1019111367.db2.gz ARJPGBRFPSKQLI-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000549921533 1019117139 /nfs/dbraw/zinc/11/71/39/1019117139.db2.gz AITHKZYTHVTGAU-SFHVURJKSA-N 1 2 348.393 3.819 20 0 EHADLO CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000549921533 1019117145 /nfs/dbraw/zinc/11/71/45/1019117145.db2.gz AITHKZYTHVTGAU-SFHVURJKSA-N 1 2 348.393 3.819 20 0 EHADLO FC(F)C1C[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000683895576 1019131163 /nfs/dbraw/zinc/13/11/63/1019131163.db2.gz GODKYRWWOUWKDX-UHFFFAOYSA-N 1 2 327.172 3.694 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@]3(CC=CCC3)C1)C2 ZINC000476070504 1032812383 /nfs/dbraw/zinc/81/23/83/1032812383.db2.gz HZRJWXPAAWXOTK-IIBYNOLFSA-N 1 2 341.499 3.987 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@]3(CC=CCC3)C1)CC2 ZINC000476070504 1032812399 /nfs/dbraw/zinc/81/23/99/1032812399.db2.gz HZRJWXPAAWXOTK-IIBYNOLFSA-N 1 2 341.499 3.987 20 0 EHADLO CC[C@H]1[C@H](C)CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000476079849 1032815070 /nfs/dbraw/zinc/81/50/70/1032815070.db2.gz MDZAYPPQXUTTHA-ZBFHGGJFSA-N 1 2 331.485 3.523 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000255544960 1019424014 /nfs/dbraw/zinc/42/40/14/1019424014.db2.gz DMAHGIMWTBDZTD-ZINIIIPISA-N 1 2 339.439 3.722 20 0 EHADLO OCCCCN(c1[nH+]ccc2cc(Br)ccc21)C1CC1 ZINC000413171708 1019462423 /nfs/dbraw/zinc/46/24/23/1019462423.db2.gz NCMHORNZKWGKMU-UHFFFAOYSA-N 1 2 335.245 3.739 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000513241495 1019469471 /nfs/dbraw/zinc/46/94/71/1019469471.db2.gz JNFWOTWGSAXESF-SNVBAGLBSA-N 1 2 339.773 3.611 20 0 EHADLO CC1(C)CC[N@H+](Cc2c(Cl)ccc3cccnc32)CC[S@]1=O ZINC000449573203 1032832999 /nfs/dbraw/zinc/83/29/99/1032832999.db2.gz RERDWLHTDDKXLR-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[S@]1=O ZINC000449573203 1032833014 /nfs/dbraw/zinc/83/30/14/1032833014.db2.gz RERDWLHTDDKXLR-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO c1ccc2c(c1)CCS[C@H]2CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433781003 1019600907 /nfs/dbraw/zinc/60/09/07/1019600907.db2.gz DQRKTAUUUSREPC-INIZCTEOSA-N 1 2 326.469 3.519 20 0 EHADLO c1ccc2c(c1)CCS[C@H]2CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433781003 1019600913 /nfs/dbraw/zinc/60/09/13/1019600913.db2.gz DQRKTAUUUSREPC-INIZCTEOSA-N 1 2 326.469 3.519 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433797378 1019615079 /nfs/dbraw/zinc/61/50/79/1019615079.db2.gz WAMJLOBENOHXSY-BMIGLBTASA-N 1 2 330.819 3.530 20 0 EHADLO CCCC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000683988276 1019634228 /nfs/dbraw/zinc/63/42/28/1019634228.db2.gz NQMMECADXPYJHJ-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)N[C@H](C)Cn2cc[nH+]c2)cs1 ZINC000433804641 1019650395 /nfs/dbraw/zinc/65/03/95/1019650395.db2.gz ZWPHJRPAIYHYBJ-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)cn1 ZINC000656256224 1019701635 /nfs/dbraw/zinc/70/16/35/1019701635.db2.gz QUTXVDWMLIDTOU-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)cn1 ZINC000656256224 1019701653 /nfs/dbraw/zinc/70/16/53/1019701653.db2.gz QUTXVDWMLIDTOU-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1Cl ZINC000580655777 1019801055 /nfs/dbraw/zinc/80/10/55/1019801055.db2.gz DJVWSXROHMESIU-SECBINFHSA-N 1 2 342.226 3.933 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1Cl ZINC000580655777 1019801066 /nfs/dbraw/zinc/80/10/66/1019801066.db2.gz DJVWSXROHMESIU-SECBINFHSA-N 1 2 342.226 3.933 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000255690057 1019863616 /nfs/dbraw/zinc/86/36/16/1019863616.db2.gz ISFBQBZEOFEDQY-CLFYSBASSA-N 1 2 326.396 3.676 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000513643767 1019915877 /nfs/dbraw/zinc/91/58/77/1019915877.db2.gz WYMFKFWJIBDCKB-NSHDSACASA-N 1 2 336.785 3.744 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000513643767 1019915882 /nfs/dbraw/zinc/91/58/82/1019915882.db2.gz WYMFKFWJIBDCKB-NSHDSACASA-N 1 2 336.785 3.744 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1C ZINC000050448744 1019929874 /nfs/dbraw/zinc/92/98/74/1019929874.db2.gz GYYHYWOBDPWASS-MLGOLLRUSA-N 1 2 342.439 3.672 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160619417 1019934519 /nfs/dbraw/zinc/93/45/19/1019934519.db2.gz BYXNBQLJOKLMSO-UHFFFAOYSA-N 1 2 343.805 3.869 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160619417 1019934531 /nfs/dbraw/zinc/93/45/31/1019934531.db2.gz BYXNBQLJOKLMSO-UHFFFAOYSA-N 1 2 343.805 3.869 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000375629559 1019941452 /nfs/dbraw/zinc/94/14/52/1019941452.db2.gz IQDURDJKHZJACU-SFHVURJKSA-N 1 2 334.414 3.921 20 0 EHADLO Cc1nc2ccccc2nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340797312 1020007318 /nfs/dbraw/zinc/00/73/18/1020007318.db2.gz MDYMOOIWGFGSQM-UHFFFAOYSA-N 1 2 335.455 3.832 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)o1 ZINC000449607826 1032873966 /nfs/dbraw/zinc/87/39/66/1032873966.db2.gz CKOHTSHEWGHNSW-UHFFFAOYSA-N 1 2 328.243 3.900 20 0 EHADLO CCSCc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000455858129 1032873999 /nfs/dbraw/zinc/87/39/99/1032873999.db2.gz KSPZUOFATUJKNO-HNNXBMFYSA-N 1 2 344.484 3.695 20 0 EHADLO CCc1ncc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)o1 ZINC000449608113 1032874181 /nfs/dbraw/zinc/87/41/81/1032874181.db2.gz FCYSZFSMMIKAGC-SNVBAGLBSA-N 1 2 339.233 3.859 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000345298355 1020137456 /nfs/dbraw/zinc/13/74/56/1020137456.db2.gz HTOYJMBMPWIRCT-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000345310362 1020146544 /nfs/dbraw/zinc/14/65/44/1020146544.db2.gz WUKWCBXJLNBZKI-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccsc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528829137 1032879256 /nfs/dbraw/zinc/87/92/56/1032879256.db2.gz POWREUCJFISEAY-CMPLNLGQSA-N 1 2 343.374 3.687 20 0 EHADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001167438248 1020210892 /nfs/dbraw/zinc/21/08/92/1020210892.db2.gz MOYULVOFEJQJRB-UHFFFAOYSA-N 1 2 344.842 3.843 20 0 EHADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001167438248 1020210905 /nfs/dbraw/zinc/21/09/05/1020210905.db2.gz MOYULVOFEJQJRB-UHFFFAOYSA-N 1 2 344.842 3.843 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000528832236 1032884536 /nfs/dbraw/zinc/88/45/36/1032884536.db2.gz UVJDQHXIGNEJDA-QLFBSQMISA-N 1 2 341.430 3.628 20 0 EHADLO O=C(/C=C\SCc1ccco1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000255907891 1020264866 /nfs/dbraw/zinc/26/48/66/1020264866.db2.gz XRGTYMZCFNIXPH-POHAHGRESA-N 1 2 325.393 3.851 20 0 EHADLO C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccsc1 ZINC000345482362 1020292931 /nfs/dbraw/zinc/29/29/31/1020292931.db2.gz JVGLLHIWKWXKAH-CQSZACIVSA-N 1 2 343.496 3.791 20 0 EHADLO CC[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCC(C)CC1 ZINC000345460259 1020298049 /nfs/dbraw/zinc/29/80/49/1020298049.db2.gz PKIZOICQZYRTIZ-HWMSQKFYSA-N 1 2 330.472 3.914 20 0 EHADLO CCOc1c(Br)cc(Cl)cc1NCc1c[nH+]cn1C ZINC000090165627 1020320290 /nfs/dbraw/zinc/32/02/90/1020320290.db2.gz LYTAFDDFXPWEGN-UHFFFAOYSA-N 1 2 344.640 3.847 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000093303565 1032896397 /nfs/dbraw/zinc/89/63/97/1032896397.db2.gz MBUCJTUARWGFNC-AWEZNQCLSA-N 1 2 343.452 3.571 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000093303565 1032896415 /nfs/dbraw/zinc/89/64/15/1032896415.db2.gz MBUCJTUARWGFNC-AWEZNQCLSA-N 1 2 343.452 3.571 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ncccc1F ZINC000528823411 1032897543 /nfs/dbraw/zinc/89/75/43/1032897543.db2.gz GSMIJHWVAYIUBG-AWEZNQCLSA-N 1 2 329.419 3.942 20 0 EHADLO CCSc1cccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000123441459 1020406575 /nfs/dbraw/zinc/40/65/75/1020406575.db2.gz NUPTUFPJUMEGJC-UHFFFAOYSA-N 1 2 339.464 3.727 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528824091 1032900753 /nfs/dbraw/zinc/90/07/53/1032900753.db2.gz DRHIMTJPEXJSAW-ZIAGYGMSSA-N 1 2 325.403 3.508 20 0 EHADLO Brc1cnccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000625448012 1020457276 /nfs/dbraw/zinc/45/72/76/1020457276.db2.gz NSRYEGJCTFJXJI-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cnccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000625448012 1020457285 /nfs/dbraw/zinc/45/72/85/1020457285.db2.gz NSRYEGJCTFJXJI-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581141546 1020471672 /nfs/dbraw/zinc/47/16/72/1020471672.db2.gz YTDXXESBNNGQIK-NWDGAFQWSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581141546 1020471676 /nfs/dbraw/zinc/47/16/76/1020471676.db2.gz YTDXXESBNNGQIK-NWDGAFQWSA-N 1 2 339.361 3.827 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C ZINC000050771174 1020482192 /nfs/dbraw/zinc/48/21/92/1020482192.db2.gz ITJAQGXGMJEMIT-UHFFFAOYSA-N 1 2 337.423 3.735 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1OC ZINC000093768474 1032906218 /nfs/dbraw/zinc/90/62/18/1032906218.db2.gz LHRUUYNROGNZJQ-SFHVURJKSA-N 1 2 333.453 3.647 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1OC ZINC000093768474 1032906229 /nfs/dbraw/zinc/90/62/29/1032906229.db2.gz LHRUUYNROGNZJQ-SFHVURJKSA-N 1 2 333.453 3.647 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(C(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000933106032 1020539728 /nfs/dbraw/zinc/53/97/28/1020539728.db2.gz MGVZXCMVJFULBT-WFASDCNBSA-N 1 2 334.370 3.936 20 0 EHADLO Cc1ccc(C)c(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000345891964 1020592717 /nfs/dbraw/zinc/59/27/17/1020592717.db2.gz YMWHAHRRCLSCKD-UHFFFAOYSA-N 1 2 331.379 3.525 20 0 EHADLO O=C(/C=C/Sc1cc(F)ccc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000280740017 1020624189 /nfs/dbraw/zinc/62/41/89/1020624189.db2.gz LBGVNDFBUYKWET-BJMVGYQFSA-N 1 2 349.406 3.631 20 0 EHADLO Cc1cn2cc(NC(=O)c3cn(CC(C)C)nc3C(F)F)ccc2[nH+]1 ZINC000581290697 1020643004 /nfs/dbraw/zinc/64/30/04/1020643004.db2.gz FUECCVDNNGDAQX-UHFFFAOYSA-N 1 2 347.369 3.685 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nnc(C)n2C2CC2)C(C)C)cc1 ZINC000340939562 1020656250 /nfs/dbraw/zinc/65/62/50/1020656250.db2.gz MRGYSQZERNNLCC-UHFFFAOYSA-N 1 2 328.460 3.731 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nnc(C)n2C2CC2)C(C)C)cc1 ZINC000340939562 1020656254 /nfs/dbraw/zinc/65/62/54/1020656254.db2.gz MRGYSQZERNNLCC-UHFFFAOYSA-N 1 2 328.460 3.731 20 0 EHADLO Cc1cc(N2CCC(Cc3ccccc3CO)CC2)nc(C2CC2)[nH+]1 ZINC000340942710 1020659930 /nfs/dbraw/zinc/65/99/30/1020659930.db2.gz SOHSAUHQSMYLLG-UHFFFAOYSA-N 1 2 337.467 3.614 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210417 1020755474 /nfs/dbraw/zinc/75/54/74/1020755474.db2.gz YFDDBPFAKOYPHJ-IAQYHMDHSA-N 1 2 327.325 3.784 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210417 1020755476 /nfs/dbraw/zinc/75/54/76/1020755476.db2.gz YFDDBPFAKOYPHJ-IAQYHMDHSA-N 1 2 327.325 3.784 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2scnc2C2CC2)n1 ZINC000760392040 1032928266 /nfs/dbraw/zinc/92/82/66/1032928266.db2.gz HJDQEQOCYGBEMP-UHFFFAOYSA-N 1 2 336.486 3.571 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000606946681 1032933842 /nfs/dbraw/zinc/93/38/42/1032933842.db2.gz XSXNHWKHCFQWIX-QGZVFWFLSA-N 1 2 344.459 3.908 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000276251049 1020961073 /nfs/dbraw/zinc/96/10/73/1020961073.db2.gz NHFMWLIFJIJQKF-JTQLQIEISA-N 1 2 331.363 3.961 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000276251049 1020961083 /nfs/dbraw/zinc/96/10/83/1020961083.db2.gz NHFMWLIFJIJQKF-JTQLQIEISA-N 1 2 331.363 3.961 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000341153577 1021020380 /nfs/dbraw/zinc/02/03/80/1021020380.db2.gz BYIVLGDDNOJYEP-UHFFFAOYSA-N 1 2 326.444 3.640 20 0 EHADLO CC(C)C[C@H](c1nc(Cc2cc(F)cc(F)c2)no1)n1cc[nH+]c1 ZINC000923822321 1032951433 /nfs/dbraw/zinc/95/14/33/1032951433.db2.gz VSOQAKVIMIFXJN-OAHLLOKOSA-N 1 2 332.354 3.771 20 0 EHADLO Cc1cccc2c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)coc21 ZINC001125515098 1021083279 /nfs/dbraw/zinc/08/32/79/1021083279.db2.gz AOVBFESMUMSKBB-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO Brc1cnc(CNc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000341197992 1021085449 /nfs/dbraw/zinc/08/54/49/1021085449.db2.gz SCCGERNEJNWPQO-UHFFFAOYSA-N 1 2 335.230 3.703 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@]2(CC2(F)F)C1 ZINC000593519682 1032953458 /nfs/dbraw/zinc/95/34/58/1032953458.db2.gz AQQVOLLLWUOZKP-SFHVURJKSA-N 1 2 346.377 3.955 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)co1 ZINC000834901147 1021092838 /nfs/dbraw/zinc/09/28/38/1021092838.db2.gz ZUPYERCSRUBQNP-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO CCc1nc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)co1 ZINC000834901189 1021093187 /nfs/dbraw/zinc/09/31/87/1021093187.db2.gz QSXNZYFCSURTDD-AWEZNQCLSA-N 1 2 339.208 3.916 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000074235987 1021095064 /nfs/dbraw/zinc/09/50/64/1021095064.db2.gz WMOSNBCXPADVAY-LBPRGKRZSA-N 1 2 327.815 3.770 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000074235987 1021095069 /nfs/dbraw/zinc/09/50/69/1021095069.db2.gz WMOSNBCXPADVAY-LBPRGKRZSA-N 1 2 327.815 3.770 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510434397 1021101747 /nfs/dbraw/zinc/10/17/47/1021101747.db2.gz MXTDGIPOSCBREV-ICSRJNTNSA-N 1 2 349.434 3.588 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510434397 1021101753 /nfs/dbraw/zinc/10/17/53/1021101753.db2.gz MXTDGIPOSCBREV-ICSRJNTNSA-N 1 2 349.434 3.588 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC1CC1 ZINC000785050789 1021132204 /nfs/dbraw/zinc/13/22/04/1021132204.db2.gz KYLXZCDPWJMWER-HNNXBMFYSA-N 1 2 340.826 3.580 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC1CC1 ZINC000785050789 1021132206 /nfs/dbraw/zinc/13/22/06/1021132206.db2.gz KYLXZCDPWJMWER-HNNXBMFYSA-N 1 2 340.826 3.580 20 0 EHADLO CC1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CCSCC1 ZINC001212105695 1032956556 /nfs/dbraw/zinc/95/65/56/1032956556.db2.gz GITKVJRYWMKXAN-UHFFFAOYSA-N 1 2 326.425 3.707 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)ccn12 ZINC000581616497 1021154455 /nfs/dbraw/zinc/15/44/55/1021154455.db2.gz OKYPTQCQDSLVEK-ZDUSSCGKSA-N 1 2 339.361 3.693 20 0 EHADLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc(C)c1F ZINC000341243455 1021167886 /nfs/dbraw/zinc/16/78/86/1021167886.db2.gz QUWNKEVVGDAABH-UHFFFAOYSA-N 1 2 343.446 3.972 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244701 1021170508 /nfs/dbraw/zinc/17/05/08/1021170508.db2.gz WTPXBQORGVANFG-INIZCTEOSA-N 1 2 337.533 3.824 20 0 EHADLO Cc1cc(/C=C\c2nc(Cc3c[nH+]cn3C)no2)ccc1OC(C)C ZINC000581633420 1021214513 /nfs/dbraw/zinc/21/45/13/1021214513.db2.gz PIFHKTGVSHPDFF-VURMDHGXSA-N 1 2 338.411 3.660 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000516253183 1021234040 /nfs/dbraw/zinc/23/40/40/1021234040.db2.gz UNWWIYPKVROZBQ-UXHICEINSA-N 1 2 347.462 3.980 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000894839064 1021238205 /nfs/dbraw/zinc/23/82/05/1021238205.db2.gz QAIYXBRZSACSTH-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000894839064 1021238214 /nfs/dbraw/zinc/23/82/14/1021238214.db2.gz QAIYXBRZSACSTH-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO CC(C)NC(=O)[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664588294 1021280250 /nfs/dbraw/zinc/28/02/50/1021280250.db2.gz WSBNQFXPQPATOT-CYBMUJFWSA-N 1 2 331.847 3.629 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CC[C@H]3c3ccccc3)n2)cc1F ZINC000487379903 1021291298 /nfs/dbraw/zinc/29/12/98/1021291298.db2.gz UIEGZJSXEJEWFO-INIZCTEOSA-N 1 2 327.334 3.962 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CC[C@H]3c3ccccc3)n2)cc1F ZINC000487379903 1021291305 /nfs/dbraw/zinc/29/13/05/1021291305.db2.gz UIEGZJSXEJEWFO-INIZCTEOSA-N 1 2 327.334 3.962 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000439283283 1021319439 /nfs/dbraw/zinc/31/94/39/1021319439.db2.gz JDZLBKMWBUWUIY-RYUDHWBXSA-N 1 2 325.861 3.790 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000439283283 1021319459 /nfs/dbraw/zinc/31/94/59/1021319459.db2.gz JDZLBKMWBUWUIY-RYUDHWBXSA-N 1 2 325.861 3.790 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc([C@@H]4CCCO4)nc3C)ccc2[nH+]1 ZINC000341287527 1021325766 /nfs/dbraw/zinc/32/57/66/1021325766.db2.gz MWHVOHYZFQSMPV-ZDUSSCGKSA-N 1 2 342.424 3.511 20 0 EHADLO O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000366655849 1021367922 /nfs/dbraw/zinc/36/79/22/1021367922.db2.gz RGZFLCDEYITSGJ-LBPRGKRZSA-N 1 2 338.436 3.571 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000469331168 1021430016 /nfs/dbraw/zinc/43/00/16/1021430016.db2.gz UHCUKJLPIBVEQV-QGZVFWFLSA-N 1 2 340.471 3.840 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000606442411 1021430930 /nfs/dbraw/zinc/43/09/30/1021430930.db2.gz MHYYQMUSAMGPRF-ZDUSSCGKSA-N 1 2 328.746 3.809 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000606442411 1021430934 /nfs/dbraw/zinc/43/09/34/1021430934.db2.gz MHYYQMUSAMGPRF-ZDUSSCGKSA-N 1 2 328.746 3.809 20 0 EHADLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCC[C@H](c1cccnc1)C2 ZINC000507700419 1021451098 /nfs/dbraw/zinc/45/10/98/1021451098.db2.gz WOYBCCHWUILOAR-LAUBAEHRSA-N 1 2 341.499 3.980 20 0 EHADLO Clc1ccc(Cl)c(C[NH+]2CCC(Oc3ncccn3)CC2)c1 ZINC001204568812 1021469974 /nfs/dbraw/zinc/46/99/74/1021469974.db2.gz QFRPWOSTMOINBQ-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO C[N@H+](CCCOCc1ccccc1)Cc1noc(-c2ccccc2)n1 ZINC000439477412 1021471563 /nfs/dbraw/zinc/47/15/63/1021471563.db2.gz UUAJTQUZIYJQIZ-UHFFFAOYSA-N 1 2 337.423 3.775 20 0 EHADLO C[N@@H+](CCCOCc1ccccc1)Cc1noc(-c2ccccc2)n1 ZINC000439477412 1021471570 /nfs/dbraw/zinc/47/15/70/1021471570.db2.gz UUAJTQUZIYJQIZ-UHFFFAOYSA-N 1 2 337.423 3.775 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465449 1021476808 /nfs/dbraw/zinc/47/68/08/1021476808.db2.gz FIHYMJZLIKYXIJ-CABCVRRESA-N 1 2 338.879 3.785 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465449 1021476810 /nfs/dbraw/zinc/47/68/10/1021476810.db2.gz FIHYMJZLIKYXIJ-CABCVRRESA-N 1 2 338.879 3.785 20 0 EHADLO CCC[C@H]([NH2+]CCc1ccc(-c2csc(C)n2)cc1)C(=O)OCC ZINC000439551262 1021537105 /nfs/dbraw/zinc/53/71/05/1021537105.db2.gz RQHCBRAJSLLIQQ-KRWDZBQOSA-N 1 2 346.496 3.982 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425719266 1021553280 /nfs/dbraw/zinc/55/32/80/1021553280.db2.gz QCOBAIHXRAKYFI-LBPRGKRZSA-N 1 2 348.834 3.621 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3cccc4ccccc43)ccc2[nH+]1 ZINC000437173616 1021610759 /nfs/dbraw/zinc/61/07/59/1021610759.db2.gz UWPNTDQJXNZLCF-UHFFFAOYSA-N 1 2 337.404 3.597 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000425735630 1021621489 /nfs/dbraw/zinc/62/14/89/1021621489.db2.gz NOFYXIISNWBFAB-UHFFFAOYSA-N 1 2 348.834 3.505 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)n1cc[nH+]c1 ZINC000581729456 1021633478 /nfs/dbraw/zinc/63/34/78/1021633478.db2.gz YGXQAYUXMWDDNO-IINYFYTJSA-N 1 2 338.238 3.945 20 0 EHADLO CC(C)(C)OC(=O)CCSCc1c[nH+]cn1Cc1ccccc1 ZINC000440587612 1021642478 /nfs/dbraw/zinc/64/24/78/1021642478.db2.gz ILGVIUZLSLQFLC-UHFFFAOYSA-N 1 2 332.469 3.896 20 0 EHADLO Cc1ccc(C)c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000518876775 1021645828 /nfs/dbraw/zinc/64/58/28/1021645828.db2.gz CEPUDUDIDLOBSA-UHFFFAOYSA-N 1 2 349.434 3.853 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@@H+]3CCO[C@H](C)C3)oc21 ZINC000440603304 1021646128 /nfs/dbraw/zinc/64/61/28/1021646128.db2.gz YIFVYIVTSOBGPB-LLVKDONJSA-N 1 2 326.849 3.602 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@H+]3CCO[C@H](C)C3)oc21 ZINC000440603304 1021646132 /nfs/dbraw/zinc/64/61/32/1021646132.db2.gz YIFVYIVTSOBGPB-LLVKDONJSA-N 1 2 326.849 3.602 20 0 EHADLO CC(C)COC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000276539648 1021683178 /nfs/dbraw/zinc/68/31/78/1021683178.db2.gz IUNIYDMXBTUPFV-OAHLLOKOSA-N 1 2 329.444 3.935 20 0 EHADLO FC(F)(F)c1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)[nH]n1 ZINC000440642941 1021685357 /nfs/dbraw/zinc/68/53/57/1021685357.db2.gz YWUJCGIAQYUEHI-INIZCTEOSA-N 1 2 332.329 3.703 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)C1(Cc2cccs2)CCCCC1 ZINC000289290782 1021704520 /nfs/dbraw/zinc/70/45/20/1021704520.db2.gz BAQDFODQVAYHJM-UHFFFAOYSA-N 1 2 331.485 3.644 20 0 EHADLO Cc1c2ccccc2[nH+]c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1C(=O)[O-] ZINC000519822171 1021717484 /nfs/dbraw/zinc/71/74/84/1021717484.db2.gz LNRDFULTOZZDKA-OAHLLOKOSA-N 1 2 341.455 3.552 20 0 EHADLO Cc1c2ccccc2[nH+]c(N(C)CC[C@H]2CCCC[N@H+]2C)c1C(=O)[O-] ZINC000519822171 1021717499 /nfs/dbraw/zinc/71/74/99/1021717499.db2.gz LNRDFULTOZZDKA-OAHLLOKOSA-N 1 2 341.455 3.552 20 0 EHADLO C[N@@H+]1CCc2ncnc(NC3CC(c4ccc(F)c(Cl)c4)C3)c2C1 ZINC000341404213 1021732313 /nfs/dbraw/zinc/73/23/13/1021732313.db2.gz INCLOGAVWTWEPX-UHFFFAOYSA-N 1 2 346.837 3.615 20 0 EHADLO C[N@H+]1CCc2ncnc(NC3CC(c4ccc(F)c(Cl)c4)C3)c2C1 ZINC000341404213 1021732328 /nfs/dbraw/zinc/73/23/28/1021732328.db2.gz INCLOGAVWTWEPX-UHFFFAOYSA-N 1 2 346.837 3.615 20 0 EHADLO CCN(C(=O)C[N@H+](Cc1ccccc1OC)C1CC1)C1CCCCC1 ZINC000518993465 1021758950 /nfs/dbraw/zinc/75/89/50/1021758950.db2.gz BIMKHFKOABGBCE-UHFFFAOYSA-N 1 2 344.499 3.841 20 0 EHADLO CCN(C(=O)C[N@@H+](Cc1ccccc1OC)C1CC1)C1CCCCC1 ZINC000518993465 1021758964 /nfs/dbraw/zinc/75/89/64/1021758964.db2.gz BIMKHFKOABGBCE-UHFFFAOYSA-N 1 2 344.499 3.841 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC2(C)C)c(C)c1 ZINC000440791402 1021784766 /nfs/dbraw/zinc/78/47/66/1021784766.db2.gz JTXRHQFKMCRFMA-WMZOPIPTSA-N 1 2 340.471 3.587 20 0 EHADLO c1csc(C[N@H+](Cc2ccnn2C2CCC2)C[C@@H]2CCCO2)c1 ZINC000891515227 1021804681 /nfs/dbraw/zinc/80/46/81/1021804681.db2.gz CCVRGJPMJBFRBX-KRWDZBQOSA-N 1 2 331.485 3.851 20 0 EHADLO c1csc(C[N@@H+](Cc2ccnn2C2CCC2)C[C@@H]2CCCO2)c1 ZINC000891515227 1021804697 /nfs/dbraw/zinc/80/46/97/1021804697.db2.gz CCVRGJPMJBFRBX-KRWDZBQOSA-N 1 2 331.485 3.851 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H](CC(F)(F)F)O1 ZINC000664634026 1021860309 /nfs/dbraw/zinc/86/03/09/1021860309.db2.gz BXKWUALXLORUJY-GXFFZTMASA-N 1 2 328.309 3.920 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]2CCC[C@H]2O1 ZINC000440960088 1021892305 /nfs/dbraw/zinc/89/23/05/1021892305.db2.gz HIKNIAPDCFQAJM-QZTJIDSGSA-N 1 2 339.439 3.801 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]2CCC[C@H]2O1 ZINC000440960088 1021892314 /nfs/dbraw/zinc/89/23/14/1021892314.db2.gz HIKNIAPDCFQAJM-QZTJIDSGSA-N 1 2 339.439 3.801 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H](c1ccccc1)C1CCCC1 ZINC000520053638 1021893531 /nfs/dbraw/zinc/89/35/31/1021893531.db2.gz QTJQYOXEWFHEQI-LJQANCHMSA-N 1 2 338.455 3.724 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000519170145 1021909283 /nfs/dbraw/zinc/90/92/83/1021909283.db2.gz NGAAVLVECUXYMN-SJORKVTESA-N 1 2 347.503 3.506 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000276596484 1021939301 /nfs/dbraw/zinc/93/93/01/1021939301.db2.gz DSQOXIMQVDOTKZ-PKOBYXMFSA-N 1 2 337.467 3.723 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000440102301 1021952939 /nfs/dbraw/zinc/95/29/39/1021952939.db2.gz KMVGGDHFRAWLCH-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1F ZINC000437578281 1021964038 /nfs/dbraw/zinc/96/40/38/1021964038.db2.gz JFYJAFSBVAVVOP-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1F ZINC000437578281 1021964047 /nfs/dbraw/zinc/96/40/47/1021964047.db2.gz JFYJAFSBVAVVOP-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nccc(C)n2)cc1OC ZINC000341465155 1021986067 /nfs/dbraw/zinc/98/60/67/1021986067.db2.gz SMKDOJOUANNBSD-HNNXBMFYSA-N 1 2 329.444 3.823 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2F)C(C)C)cc1 ZINC000520173067 1021986490 /nfs/dbraw/zinc/98/64/90/1021986490.db2.gz IQNQDZXJEJRPDJ-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)cc1 ZINC000520173067 1021986506 /nfs/dbraw/zinc/98/65/06/1021986506.db2.gz IQNQDZXJEJRPDJ-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO Cc1cc(NCCOc2cccc(C(F)(F)F)c2)nc(C2CC2)[nH+]1 ZINC000341475053 1022006981 /nfs/dbraw/zinc/00/69/81/1022006981.db2.gz INXJNMRJMNPCED-UHFFFAOYSA-N 1 2 337.345 3.594 20 0 EHADLO CC(C)CCn1cccc1C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000506804451 1022040189 /nfs/dbraw/zinc/04/01/89/1022040189.db2.gz JNMZODDPVKSTGL-UHFFFAOYSA-N 1 2 331.435 3.744 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000506804451 1022040202 /nfs/dbraw/zinc/04/02/02/1022040202.db2.gz JNMZODDPVKSTGL-UHFFFAOYSA-N 1 2 331.435 3.744 20 0 EHADLO CCCCCc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000517119543 1022044530 /nfs/dbraw/zinc/04/45/30/1022044530.db2.gz ZKZSRJRVHXRRAO-DLBZAZTESA-N 1 2 347.503 3.650 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000506806569 1022045713 /nfs/dbraw/zinc/04/57/13/1022045713.db2.gz ROMYYFCZDYTGLL-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000506806569 1022045727 /nfs/dbraw/zinc/04/57/27/1022045727.db2.gz ROMYYFCZDYTGLL-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000441193907 1022046233 /nfs/dbraw/zinc/04/62/33/1022046233.db2.gz IRAQTYYPJKJFPF-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000441193907 1022046250 /nfs/dbraw/zinc/04/62/50/1022046250.db2.gz IRAQTYYPJKJFPF-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO Cc1ccc(C)c(OC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000517155080 1022079110 /nfs/dbraw/zinc/07/91/10/1022079110.db2.gz YJZKLRVOVJJIGE-QGZVFWFLSA-N 1 2 341.455 3.521 20 0 EHADLO CC[C@@](C)(NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000598250113 1033031217 /nfs/dbraw/zinc/03/12/17/1033031217.db2.gz LBBZJTTXZTYDAG-GOSISDBHSA-N 1 2 331.485 3.571 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000581893113 1022169579 /nfs/dbraw/zinc/16/95/79/1022169579.db2.gz IGEVLHUYAZXICQ-KBPBESRZSA-N 1 2 331.485 3.966 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000581893113 1022169589 /nfs/dbraw/zinc/16/95/89/1022169589.db2.gz IGEVLHUYAZXICQ-KBPBESRZSA-N 1 2 331.485 3.966 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000581893647 1022183369 /nfs/dbraw/zinc/18/33/69/1022183369.db2.gz XEJRKZPRGYPAKN-HNNXBMFYSA-N 1 2 343.446 3.741 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000581893647 1022183372 /nfs/dbraw/zinc/18/33/72/1022183372.db2.gz XEJRKZPRGYPAKN-HNNXBMFYSA-N 1 2 343.446 3.741 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000187707583 1022222613 /nfs/dbraw/zinc/22/26/13/1022222613.db2.gz CXAROPWRIHIYDN-SFHVURJKSA-N 1 2 340.810 3.911 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1nnc(Cl)c2cccc(F)c21 ZINC001167990060 1022237437 /nfs/dbraw/zinc/23/74/37/1022237437.db2.gz LSJXHQHDAYWSAX-UHFFFAOYSA-N 1 2 333.729 3.593 20 0 EHADLO CCOCc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187754464 1022238508 /nfs/dbraw/zinc/23/85/08/1022238508.db2.gz SBEKDSNIPCRZQN-IBGZPJMESA-N 1 2 339.414 3.965 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2ncc[nH]2)cc1 ZINC000187776658 1022243410 /nfs/dbraw/zinc/24/34/10/1022243410.db2.gz LYZKHUCCFUFWKX-LJQANCHMSA-N 1 2 347.397 3.614 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1=S ZINC000172952186 1033040906 /nfs/dbraw/zinc/04/09/06/1033040906.db2.gz XVQUBYWNWUGOFU-HNNXBMFYSA-N 1 2 338.521 3.550 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1=S ZINC000172952186 1033040916 /nfs/dbraw/zinc/04/09/16/1033040916.db2.gz XVQUBYWNWUGOFU-HNNXBMFYSA-N 1 2 338.521 3.550 20 0 EHADLO COC(=O)Nc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000894418444 1022261281 /nfs/dbraw/zinc/26/12/81/1022261281.db2.gz GMBPCIRDJZUIQT-UHFFFAOYSA-N 1 2 345.346 3.630 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143567376 1022271509 /nfs/dbraw/zinc/27/15/09/1022271509.db2.gz CYAHKJFEJOWLKN-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143567376 1022271516 /nfs/dbraw/zinc/27/15/16/1022271516.db2.gz CYAHKJFEJOWLKN-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC001167993001 1022352777 /nfs/dbraw/zinc/35/27/77/1022352777.db2.gz NJXBQMLOBHNMCD-UHFFFAOYSA-N 1 2 349.291 3.819 20 0 EHADLO O=C(/C=C/SCc1ccco1)Nc1ccccc1-n1cc[nH+]c1 ZINC000084921945 1022383178 /nfs/dbraw/zinc/38/31/78/1022383178.db2.gz KVVFTHKWJMZPGI-YRNVUSSQSA-N 1 2 325.393 3.851 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001167993861 1022383430 /nfs/dbraw/zinc/38/34/30/1022383430.db2.gz YAXDWYBWYSYGPZ-UHFFFAOYSA-N 1 2 346.369 3.796 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000517506463 1022401642 /nfs/dbraw/zinc/40/16/42/1022401642.db2.gz FREWGAGDDLKSBU-UXHICEINSA-N 1 2 333.435 3.736 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119448423 1033055857 /nfs/dbraw/zinc/05/58/57/1033055857.db2.gz MPBXZFHYWCXZIE-HNAYVOBHSA-N 1 2 341.430 3.632 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438149626 1022432951 /nfs/dbraw/zinc/43/29/51/1022432951.db2.gz CLCJOWXJTUBNEC-SIFCLUCFSA-N 1 2 347.418 3.555 20 0 EHADLO Cc1noc2ncc(CN[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc12 ZINC000894531862 1022493814 /nfs/dbraw/zinc/49/38/14/1022493814.db2.gz GEVVEOWSBOVVJU-KXBFYZLASA-N 1 2 338.455 3.621 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664827863 1022511004 /nfs/dbraw/zinc/51/10/04/1022511004.db2.gz DGLCULQRWBYHDS-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664827863 1022511017 /nfs/dbraw/zinc/51/10/17/1022511017.db2.gz DGLCULQRWBYHDS-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO CC[C@@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C(C)C ZINC000517629058 1022522356 /nfs/dbraw/zinc/52/23/56/1022522356.db2.gz YNHPSFRMMDIVJA-KRWDZBQOSA-N 1 2 343.471 3.794 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000348517659 1022527593 /nfs/dbraw/zinc/52/75/93/1022527593.db2.gz XDSVMZKKKWNBIK-UHFFFAOYSA-N 1 2 343.374 3.625 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)n1 ZINC000303763221 1022527546 /nfs/dbraw/zinc/52/75/46/1022527546.db2.gz PAJOJULJQGRUAH-AWEZNQCLSA-N 1 2 333.457 3.909 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)n1 ZINC000303763221 1022527557 /nfs/dbraw/zinc/52/75/57/1022527557.db2.gz PAJOJULJQGRUAH-AWEZNQCLSA-N 1 2 333.457 3.909 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]C2CC(Sc3ccccc3)C2)no1 ZINC000894556877 1022531263 /nfs/dbraw/zinc/53/12/63/1022531263.db2.gz NCMKMHDEOPOOFT-HLIUYOAVSA-N 1 2 347.484 3.969 20 0 EHADLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000438316712 1022538344 /nfs/dbraw/zinc/53/83/44/1022538344.db2.gz PMLLCCAZWUJLSW-UHFFFAOYSA-N 1 2 335.407 3.639 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000438298646 1022540431 /nfs/dbraw/zinc/54/04/31/1022540431.db2.gz FMHXCHWJWNPVFG-MRXNPFEDSA-N 1 2 331.481 3.790 20 0 EHADLO COC(=O)c1c(C)cccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438302655 1022542930 /nfs/dbraw/zinc/54/29/30/1022542930.db2.gz IYTZGQBNBXWTTH-UHFFFAOYSA-N 1 2 335.407 3.639 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2cccs2)c1C ZINC000051334082 1022545621 /nfs/dbraw/zinc/54/56/21/1022545621.db2.gz JQWPCORKOVPYPW-CYBMUJFWSA-N 1 2 333.457 3.671 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccc(C)s2)c1C ZINC000051333810 1022546698 /nfs/dbraw/zinc/54/66/98/1022546698.db2.gz GILGNJPRKOVVQU-CYBMUJFWSA-N 1 2 333.457 3.637 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1)C1CCC1 ZINC000349572311 1022552325 /nfs/dbraw/zinc/55/23/25/1022552325.db2.gz ZBUNCRKHDKAZLF-UHFFFAOYSA-N 1 2 335.860 3.825 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)CCc2ccccc2)c1C ZINC000051335435 1022570775 /nfs/dbraw/zinc/57/07/75/1022570775.db2.gz JKGIMPIMZKFMPQ-HNNXBMFYSA-N 1 2 341.455 3.528 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000891769965 1022611076 /nfs/dbraw/zinc/61/10/76/1022611076.db2.gz DKWIGUCTRRRGFT-QGZVFWFLSA-N 1 2 325.412 3.902 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000891769965 1022611084 /nfs/dbraw/zinc/61/10/84/1022611084.db2.gz DKWIGUCTRRRGFT-QGZVFWFLSA-N 1 2 325.412 3.902 20 0 EHADLO Cc1ccc(SC2(C(=O)N[C@H](C)Cn3cc[nH+]c3)CCCC2)cc1 ZINC000430763259 1022666150 /nfs/dbraw/zinc/66/61/50/1022666150.db2.gz AKHPNJMDDMSCIQ-MRXNPFEDSA-N 1 2 343.496 3.801 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 ZINC000330833747 1022683323 /nfs/dbraw/zinc/68/33/23/1022683323.db2.gz VTUHBTGTCBHNQY-NXEZZACHSA-N 1 2 330.354 3.770 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 ZINC000330833749 1022684378 /nfs/dbraw/zinc/68/43/78/1022684378.db2.gz VTUHBTGTCBHNQY-VHSXEESVSA-N 1 2 330.354 3.770 20 0 EHADLO C[C@H]1CC[C@@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011518 1022701628 /nfs/dbraw/zinc/70/16/28/1022701628.db2.gz UXORDLBVCPIVEF-IDCNUPLLSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H]1CC[C@@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011518 1022701645 /nfs/dbraw/zinc/70/16/45/1022701645.db2.gz UXORDLBVCPIVEF-IDCNUPLLSA-N 1 2 341.455 3.935 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517832726 1022731982 /nfs/dbraw/zinc/73/19/82/1022731982.db2.gz LTCFHKIXWVPYMH-FQEVSTJZSA-N 1 2 331.419 3.657 20 0 EHADLO Cc1ccc(CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000146698642 1033077778 /nfs/dbraw/zinc/07/77/78/1033077778.db2.gz AJVULZDVIMZRLO-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO COc1cccc2[nH+]c(NCc3cc(Br)no3)ccc21 ZINC001167492934 1022762825 /nfs/dbraw/zinc/76/28/25/1022762825.db2.gz RSMYFOSGTOPAPS-UHFFFAOYSA-N 1 2 334.173 3.606 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc([C@H]2CCOC2)c1 ZINC000341646968 1022777645 /nfs/dbraw/zinc/77/76/45/1022777645.db2.gz YIHIHFFDGQDTPU-KRWDZBQOSA-N 1 2 333.391 3.629 20 0 EHADLO Cc1cc(NCCNC(=O)c2ccccc2Cl)nc(C2CCC2)[nH+]1 ZINC000891796270 1022778864 /nfs/dbraw/zinc/77/88/64/1022778864.db2.gz LKDDCRCQCYOWAG-UHFFFAOYSA-N 1 2 344.846 3.548 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000517878916 1022798993 /nfs/dbraw/zinc/79/89/93/1022798993.db2.gz GBQCJXUHUIKEEP-MRXNPFEDSA-N 1 2 329.469 3.547 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000517878916 1022799006 /nfs/dbraw/zinc/79/90/06/1022799006.db2.gz GBQCJXUHUIKEEP-MRXNPFEDSA-N 1 2 329.469 3.547 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)ccc1OC ZINC000894771774 1022868243 /nfs/dbraw/zinc/86/82/43/1022868243.db2.gz VOHQDRWDKSIWEV-ZDUSSCGKSA-N 1 2 332.448 3.542 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000608066071 1022881797 /nfs/dbraw/zinc/88/17/97/1022881797.db2.gz XWTCKMWVUQQBMD-GFCCVEGCSA-N 1 2 338.190 3.945 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458601 1022894243 /nfs/dbraw/zinc/89/42/43/1022894243.db2.gz JQFKQMGFRQUMAF-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458601 1022894257 /nfs/dbraw/zinc/89/42/57/1022894257.db2.gz JQFKQMGFRQUMAF-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(C)cn2)ccc1OC1CCCC1 ZINC000341659969 1022898766 /nfs/dbraw/zinc/89/87/66/1022898766.db2.gz PDVDNKKWKBDTFF-HNNXBMFYSA-N 1 2 341.455 3.966 20 0 EHADLO CCn1cnn(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729470841 1022906476 /nfs/dbraw/zinc/90/64/76/1022906476.db2.gz CAGBVUMKEYCLRM-MRXNPFEDSA-N 1 2 334.464 3.628 20 0 EHADLO CCn1cnn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729470841 1022906488 /nfs/dbraw/zinc/90/64/88/1022906488.db2.gz CAGBVUMKEYCLRM-MRXNPFEDSA-N 1 2 334.464 3.628 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729470893 1022908985 /nfs/dbraw/zinc/90/89/85/1022908985.db2.gz CNZJGSBIPZSJKQ-KRWDZBQOSA-N 1 2 348.491 3.936 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729470893 1022908994 /nfs/dbraw/zinc/90/89/94/1022908994.db2.gz CNZJGSBIPZSJKQ-KRWDZBQOSA-N 1 2 348.491 3.936 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3nc(C)ccc3O)n2)cc1 ZINC000276786330 1022916988 /nfs/dbraw/zinc/91/69/88/1022916988.db2.gz RREQBCKOGOFYLD-ZDUSSCGKSA-N 1 2 338.411 3.559 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000894793320 1022931949 /nfs/dbraw/zinc/93/19/49/1022931949.db2.gz CUZWPUYKFCDUPM-UHFFFAOYSA-N 1 2 349.828 3.892 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000894793320 1022931960 /nfs/dbraw/zinc/93/19/60/1022931960.db2.gz CUZWPUYKFCDUPM-UHFFFAOYSA-N 1 2 349.828 3.892 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)s1 ZINC000341666807 1022932469 /nfs/dbraw/zinc/93/24/69/1022932469.db2.gz GXBPHVMIQXAIHG-AWEZNQCLSA-N 1 2 337.876 3.909 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189060155 1022941816 /nfs/dbraw/zinc/94/18/16/1022941816.db2.gz ASTFWPDXXJIGBE-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189060155 1022941825 /nfs/dbraw/zinc/94/18/25/1022941825.db2.gz ASTFWPDXXJIGBE-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189188976 1022971919 /nfs/dbraw/zinc/97/19/19/1022971919.db2.gz OMUKCARDIVVGLQ-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189188976 1022971932 /nfs/dbraw/zinc/97/19/32/1022971932.db2.gz OMUKCARDIVVGLQ-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO CC[C@H](CC(F)(F)F)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000546201414 1022982424 /nfs/dbraw/zinc/98/24/24/1022982424.db2.gz HUGNVNVSAXKNBP-GFCCVEGCSA-N 1 2 347.381 3.579 20 0 EHADLO COCc1ccc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000506907688 1022990281 /nfs/dbraw/zinc/99/02/81/1022990281.db2.gz CUVOMGLPACIADL-OAHLLOKOSA-N 1 2 348.874 3.958 20 0 EHADLO COCc1ccc(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000506907688 1022990296 /nfs/dbraw/zinc/99/02/96/1022990296.db2.gz CUVOMGLPACIADL-OAHLLOKOSA-N 1 2 348.874 3.958 20 0 EHADLO COc1cc(F)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341681776 1022990755 /nfs/dbraw/zinc/99/07/55/1022990755.db2.gz HUICXUJHQKYQJZ-HNNXBMFYSA-N 1 2 339.370 3.718 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000506893255 1022995771 /nfs/dbraw/zinc/99/57/71/1022995771.db2.gz SEUJXYQJOJKOSU-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891833891 1023001668 /nfs/dbraw/zinc/00/16/68/1023001668.db2.gz VWXMYWJPFWNWOB-INIZCTEOSA-N 1 2 336.483 3.634 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000426727762 1023013578 /nfs/dbraw/zinc/01/35/78/1023013578.db2.gz QFVTTWVQVYABBG-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1ccc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nc1 ZINC000506934223 1023024859 /nfs/dbraw/zinc/02/48/59/1023024859.db2.gz YNTSUTGWZVBWIP-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)nc1 ZINC000506934223 1023024869 /nfs/dbraw/zinc/02/48/69/1023024869.db2.gz YNTSUTGWZVBWIP-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000536360607 1023030617 /nfs/dbraw/zinc/03/06/17/1023030617.db2.gz BZOWFWKZKCITPE-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000536360607 1023030630 /nfs/dbraw/zinc/03/06/30/1023030630.db2.gz BZOWFWKZKCITPE-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000128897434 1023056902 /nfs/dbraw/zinc/05/69/02/1023056902.db2.gz FFQKMUXBKYZKLN-CJNGLKHVSA-N 1 2 346.406 3.536 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875724 1023064275 /nfs/dbraw/zinc/06/42/75/1023064275.db2.gz FBBMBPYCCCGWKW-DOTOQJQBSA-N 1 2 326.444 3.907 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000506993738 1023066851 /nfs/dbraw/zinc/06/68/51/1023066851.db2.gz YSDROLCXHCIVHR-CQSZACIVSA-N 1 2 347.397 3.998 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(Cc3ccccc3)CC2)c2nnc[nH]2)cc1 ZINC000294766409 1023096602 /nfs/dbraw/zinc/09/66/02/1023096602.db2.gz MVRDWMODOUIKSM-GOSISDBHSA-N 1 2 336.414 3.646 20 0 EHADLO COc1cccc(C2(NC(=O)NCc3c[nH+]c(C)cc3C)CCC2)c1 ZINC000665062979 1023119204 /nfs/dbraw/zinc/11/92/04/1023119204.db2.gz JUEVEIYIQDIXKD-UHFFFAOYSA-N 1 2 339.439 3.586 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068749 1023160656 /nfs/dbraw/zinc/16/06/56/1023160656.db2.gz KGHTVLSESZHNTC-VBKFSLOCSA-N 1 2 337.467 3.897 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068749 1023160665 /nfs/dbraw/zinc/16/06/65/1023160665.db2.gz KGHTVLSESZHNTC-VBKFSLOCSA-N 1 2 337.467 3.897 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000507184252 1023169846 /nfs/dbraw/zinc/16/98/46/1023169846.db2.gz UKXUXDNMXJYKCO-RDJZCZTQSA-N 1 2 346.519 3.933 20 0 EHADLO Clc1cc(Br)cc(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000894831107 1023183568 /nfs/dbraw/zinc/18/35/68/1023183568.db2.gz YBXRMQCALSTPNI-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CC(C)C[C@H](C(=O)N(C)CCCOCc1ccccc1)n1cc[nH+]c1 ZINC001625928726 1023189181 /nfs/dbraw/zinc/18/91/81/1023189181.db2.gz RMKQHPXYOJSTEO-LJQANCHMSA-N 1 2 343.471 3.536 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000438991040 1023196646 /nfs/dbraw/zinc/19/66/46/1023196646.db2.gz LOEBTHDBRCMLNI-RYUDHWBXSA-N 1 2 333.457 3.830 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000579421370 1023208792 /nfs/dbraw/zinc/20/87/92/1023208792.db2.gz RBZRCYMXXPFRTK-IUODEOHRSA-N 1 2 337.345 3.512 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507265249 1023218993 /nfs/dbraw/zinc/21/89/93/1023218993.db2.gz UTDVYMAGKNLVSX-HXUWFJFHSA-N 1 2 346.515 3.661 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507265249 1023219003 /nfs/dbraw/zinc/21/90/03/1023219003.db2.gz UTDVYMAGKNLVSX-HXUWFJFHSA-N 1 2 346.515 3.661 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2occc2C(=O)OC)cc1 ZINC000341742288 1023221622 /nfs/dbraw/zinc/22/16/22/1023221622.db2.gz LXIQVPMVCPALCE-CYBMUJFWSA-N 1 2 349.452 3.656 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506476218 1023238610 /nfs/dbraw/zinc/23/86/10/1023238610.db2.gz FBKWTXIURURFRP-UHFFFAOYSA-N 1 2 344.430 3.776 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@H]1C(F)(F)F ZINC000190162521 1023257352 /nfs/dbraw/zinc/25/73/52/1023257352.db2.gz YQXKNOMDBHDWJZ-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccco3)no2)CC[C@H]1C(F)(F)F ZINC000190162521 1023257365 /nfs/dbraw/zinc/25/73/65/1023257365.db2.gz YQXKNOMDBHDWJZ-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CN(CCCCNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000518369333 1023260905 /nfs/dbraw/zinc/26/09/05/1023260905.db2.gz JMIDVTCBGPBWCL-UHFFFAOYSA-N 1 2 339.487 3.795 20 0 EHADLO CN(CCCCNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000518369333 1023260914 /nfs/dbraw/zinc/26/09/14/1023260914.db2.gz JMIDVTCBGPBWCL-UHFFFAOYSA-N 1 2 339.487 3.795 20 0 EHADLO CO[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1Cl ZINC000684554789 1023274831 /nfs/dbraw/zinc/27/48/31/1023274831.db2.gz QNUGCUQQMZJDTG-SJORKVTESA-N 1 2 342.830 3.525 20 0 EHADLO CO[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1ccccc1Cl ZINC000684554787 1023275398 /nfs/dbraw/zinc/27/53/98/1023275398.db2.gz QNUGCUQQMZJDTG-IAGOWNOFSA-N 1 2 342.830 3.525 20 0 EHADLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1cncs1 ZINC000426407438 1023380899 /nfs/dbraw/zinc/38/08/99/1023380899.db2.gz ZSVISBCFLDVXGC-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO COCC[N@H+](Cc1ccc(Br)s1)Cc1cncs1 ZINC000426407438 1023380902 /nfs/dbraw/zinc/38/09/02/1023380902.db2.gz ZSVISBCFLDVXGC-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO CCc1cc(N2CCCC[C@H]2c2noc(C3CC3)n2)nc(CC)[nH+]1 ZINC000891923591 1023413302 /nfs/dbraw/zinc/41/33/02/1023413302.db2.gz HEKKLYQCJFBBBC-AWEZNQCLSA-N 1 2 327.432 3.593 20 0 EHADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452412 1023419338 /nfs/dbraw/zinc/41/93/38/1023419338.db2.gz OFCKCWDJLKGVEV-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1ccoc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452412 1023419344 /nfs/dbraw/zinc/41/93/44/1023419344.db2.gz OFCKCWDJLKGVEV-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000341869713 1023497690 /nfs/dbraw/zinc/49/76/90/1023497690.db2.gz JZWSVIHXKXQZTD-AWEZNQCLSA-N 1 2 345.443 3.851 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000341869713 1023497696 /nfs/dbraw/zinc/49/76/96/1023497696.db2.gz JZWSVIHXKXQZTD-AWEZNQCLSA-N 1 2 345.443 3.851 20 0 EHADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2ccccc2oc1=S ZINC000176123579 1023514020 /nfs/dbraw/zinc/51/40/20/1023514020.db2.gz LEUAEHAFWBYBMC-QHCPKHFHSA-N 1 2 346.477 3.791 20 0 EHADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2ccccc2oc1=S ZINC000176123579 1023514022 /nfs/dbraw/zinc/51/40/22/1023514022.db2.gz LEUAEHAFWBYBMC-QHCPKHFHSA-N 1 2 346.477 3.791 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c[nH+]1 ZINC000535748964 1023605904 /nfs/dbraw/zinc/60/59/04/1023605904.db2.gz ZUOASYDFHYYXDY-HNNXBMFYSA-N 1 2 326.440 3.824 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000247572622 1023664181 /nfs/dbraw/zinc/66/41/81/1023664181.db2.gz RXYWPRMXJHEBKH-YOEHRIQHSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000247572622 1023664184 /nfs/dbraw/zinc/66/41/84/1023664184.db2.gz RXYWPRMXJHEBKH-YOEHRIQHSA-N 1 2 337.427 3.677 20 0 EHADLO CCC(=O)N1CCc2ccc(NCc3c[nH+]c4c(C)cccn34)cc21 ZINC000897770359 1033158509 /nfs/dbraw/zinc/15/85/09/1033158509.db2.gz PUFTWNFXXDDJPB-UHFFFAOYSA-N 1 2 334.423 3.554 20 0 EHADLO c1cn2c(cccc2CNc2cccc(-c3ccc4c(c3)CCO4)n2)[nH+]1 ZINC000342003669 1023752903 /nfs/dbraw/zinc/75/29/03/1023752903.db2.gz LTBLMLGEZHJNDP-UHFFFAOYSA-N 1 2 342.402 3.943 20 0 EHADLO CCCc1cc(NCc2cc(Br)no2)nc(CCC)[nH+]1 ZINC001167496998 1023777311 /nfs/dbraw/zinc/77/73/11/1023777311.db2.gz QGTXARLAWLCOEB-UHFFFAOYSA-N 1 2 339.237 3.744 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)s1 ZINC000602786800 1033161451 /nfs/dbraw/zinc/16/14/51/1033161451.db2.gz YKWFONVOBFGQDV-OCCSQVGLSA-N 1 2 334.441 3.886 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)s1 ZINC000602786800 1033161460 /nfs/dbraw/zinc/16/14/60/1033161460.db2.gz YKWFONVOBFGQDV-OCCSQVGLSA-N 1 2 334.441 3.886 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)c(F)c2)CC12CCCCC2 ZINC000535825699 1023798575 /nfs/dbraw/zinc/79/85/75/1023798575.db2.gz NBYORJBOGFSERE-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC12CCCCC2 ZINC000535825699 1023798582 /nfs/dbraw/zinc/79/85/82/1023798582.db2.gz NBYORJBOGFSERE-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@]1=O ZINC000277142961 1023828775 /nfs/dbraw/zinc/82/87/75/1023828775.db2.gz JEVKLKCOJLELJT-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@]1=O ZINC000277142961 1023828780 /nfs/dbraw/zinc/82/87/80/1023828780.db2.gz JEVKLKCOJLELJT-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO CC1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC000458271086 1023843232 /nfs/dbraw/zinc/84/32/32/1023843232.db2.gz UHCZNLVDWJMNEU-UHFFFAOYSA-N 1 2 332.835 3.658 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC(C)(C)Cc2ccccc2C)c[nH+]1 ZINC000458299823 1023867501 /nfs/dbraw/zinc/86/75/01/1023867501.db2.gz NNUSZOLNGLDDAQ-UHFFFAOYSA-N 1 2 325.456 3.827 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000342085469 1023894111 /nfs/dbraw/zinc/89/41/11/1023894111.db2.gz LDMTYXLNLJQBHU-RTBURBONSA-N 1 2 349.409 3.875 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000610962349 1023904137 /nfs/dbraw/zinc/90/41/37/1023904137.db2.gz RZTQFLAJKMOCPW-UHFFFAOYSA-N 1 2 326.421 3.982 20 0 EHADLO CN(CCCOCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342093683 1023909844 /nfs/dbraw/zinc/90/98/44/1023909844.db2.gz FIPYSKYXKGDMHI-UHFFFAOYSA-N 1 2 349.434 3.551 20 0 EHADLO CSc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469408 1033174899 /nfs/dbraw/zinc/17/48/99/1033174899.db2.gz OQWQTXLSMGJQBC-OAHLLOKOSA-N 1 2 332.473 3.841 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)CC(C)(C)C ZINC000434355587 1023972055 /nfs/dbraw/zinc/97/20/55/1023972055.db2.gz OMDCZIREICHBJV-NVXWUHKLSA-N 1 2 333.476 3.707 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000178960073 1024026426 /nfs/dbraw/zinc/02/64/26/1024026426.db2.gz MJSNQCKQORJCHP-WKOYGUFESA-N 1 2 341.842 3.533 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc3c(Cl)cccc3n1)CCC2 ZINC000443495749 1024043557 /nfs/dbraw/zinc/04/35/57/1024043557.db2.gz CESOTNCVYUGFGG-CYBMUJFWSA-N 1 2 326.831 3.805 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(C)n(C3CCCCC3)n2)c[nH+]1 ZINC000897800250 1033183517 /nfs/dbraw/zinc/18/35/17/1033183517.db2.gz WIKDHABYKKSDOE-UHFFFAOYSA-N 1 2 329.448 3.575 20 0 EHADLO COc1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1OC(F)F ZINC000443851641 1024053764 /nfs/dbraw/zinc/05/37/64/1024053764.db2.gz DPVBBGNOAPNWPZ-UHFFFAOYSA-N 1 2 329.387 3.686 20 0 EHADLO C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)CC(C)(C)C ZINC000443505564 1024059130 /nfs/dbraw/zinc/05/91/30/1024059130.db2.gz AAJJHNVNOZAKEJ-HZPDHXFCSA-N 1 2 334.508 3.560 20 0 EHADLO C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)CC(C)(C)C ZINC000443505564 1024059147 /nfs/dbraw/zinc/05/91/47/1024059147.db2.gz AAJJHNVNOZAKEJ-HZPDHXFCSA-N 1 2 334.508 3.560 20 0 EHADLO COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(OC(F)F)c1 ZINC000443858915 1024074010 /nfs/dbraw/zinc/07/40/10/1024074010.db2.gz XGDHGSNNRRFOLC-UHFFFAOYSA-N 1 2 329.387 3.686 20 0 EHADLO COC[C@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000443513068 1024078244 /nfs/dbraw/zinc/07/82/44/1024078244.db2.gz UJBRNTSSMJZMJF-JTQLQIEISA-N 1 2 339.208 3.609 20 0 EHADLO CC[C@@]([NH2+]C[C@@H]1CCCC(F)(F)C1)(C(=O)OC)c1ccccc1 ZINC000514074046 1024091898 /nfs/dbraw/zinc/09/18/98/1024091898.db2.gz HNJLGVPBCGYGSD-KDOFPFPSSA-N 1 2 325.399 3.880 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000151348559 1024102507 /nfs/dbraw/zinc/10/25/07/1024102507.db2.gz LTUJZJQXZDNIOS-CVEARBPZSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151477632 1024114591 /nfs/dbraw/zinc/11/45/91/1024114591.db2.gz MTBMNBWFRXMUCT-KRWDZBQOSA-N 1 2 333.435 3.660 20 0 EHADLO Cc1cc(N(C)[C@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522648445 1024143685 /nfs/dbraw/zinc/14/36/85/1024143685.db2.gz LTMWZHPPCOKNHQ-NSHDSACASA-N 1 2 326.318 3.667 20 0 EHADLO Clc1cc2c(s1)CC[N@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000520584366 1024152849 /nfs/dbraw/zinc/15/28/49/1024152849.db2.gz WOHGYRHOHSTDOI-UHFFFAOYSA-N 1 2 348.899 3.796 20 0 EHADLO Clc1cc2c(s1)CC[N@@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000520584366 1024152858 /nfs/dbraw/zinc/15/28/58/1024152858.db2.gz WOHGYRHOHSTDOI-UHFFFAOYSA-N 1 2 348.899 3.796 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000151586115 1024189580 /nfs/dbraw/zinc/18/95/80/1024189580.db2.gz SPMCGTZTPIXXAM-CQSZACIVSA-N 1 2 344.484 3.629 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCO[C@@H](c3ccsc3)C2)o1 ZINC000648011194 1024236221 /nfs/dbraw/zinc/23/62/21/1024236221.db2.gz ITEIWRZEGJNART-QGZVFWFLSA-N 1 2 343.452 3.624 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCO[C@@H](c3ccsc3)C2)o1 ZINC000648011194 1024236235 /nfs/dbraw/zinc/23/62/35/1024236235.db2.gz ITEIWRZEGJNART-QGZVFWFLSA-N 1 2 343.452 3.624 20 0 EHADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517016 1024323020 /nfs/dbraw/zinc/32/30/20/1024323020.db2.gz RXQLJAZSLBEQJQ-HZPDHXFCSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517016 1024323036 /nfs/dbraw/zinc/32/30/36/1024323036.db2.gz RXQLJAZSLBEQJQ-HZPDHXFCSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)C1CCCCC1 ZINC000505505731 1024388463 /nfs/dbraw/zinc/38/84/63/1024388463.db2.gz KDDKMXZALFCGON-HNAYVOBHSA-N 1 2 332.463 3.905 20 0 EHADLO CCN(Cc1cccs1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074044703 1024389367 /nfs/dbraw/zinc/38/93/67/1024389367.db2.gz YSEAGZSTXZABRY-UHFFFAOYSA-N 1 2 325.437 3.905 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(-c2ccncc2)o1 ZINC000191540083 1024408655 /nfs/dbraw/zinc/40/86/55/1024408655.db2.gz UQCYKDQNQPHXFH-UHFFFAOYSA-N 1 2 349.419 3.918 20 0 EHADLO Cc1nc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)c2c([nH+]1)CCCC2 ZINC000895388424 1024446938 /nfs/dbraw/zinc/44/69/38/1024446938.db2.gz LXICTKFXEFQRIA-AWEZNQCLSA-N 1 2 329.341 3.535 20 0 EHADLO CCCOc1cccc2c(N[C@H](C)c3nnc4n3CCC4)cc[nH+]c12 ZINC000280940785 1024456564 /nfs/dbraw/zinc/45/65/64/1024456564.db2.gz FRDZUOOEFXGTEY-CYBMUJFWSA-N 1 2 337.427 3.734 20 0 EHADLO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505552107 1024471074 /nfs/dbraw/zinc/47/10/74/1024471074.db2.gz WIISBSHMEKBDKO-OTWHNJEPSA-N 1 2 330.447 3.515 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473695 1024473777 /nfs/dbraw/zinc/47/37/77/1024473777.db2.gz GRALAHLBONQPGI-JTQLQIEISA-N 1 2 326.824 4.000 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473695 1024473784 /nfs/dbraw/zinc/47/37/84/1024473784.db2.gz GRALAHLBONQPGI-JTQLQIEISA-N 1 2 326.824 4.000 20 0 EHADLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4cc(C)cc(F)c4)C3)C2)cs1 ZINC001143588080 1024478643 /nfs/dbraw/zinc/47/86/43/1024478643.db2.gz ZQGQLNJPRDFFDX-UHFFFAOYSA-N 1 2 345.487 3.607 20 0 EHADLO Cc1nc(C[N@H+]2CCC3(CN(Cc4cc(C)cc(F)c4)C3)C2)cs1 ZINC001143588080 1024478651 /nfs/dbraw/zinc/47/86/51/1024478651.db2.gz ZQGQLNJPRDFFDX-UHFFFAOYSA-N 1 2 345.487 3.607 20 0 EHADLO COc1cccc(Nc2ccc(NCc3nccn3C3CC3)[nH+]c2)c1 ZINC000895402931 1024489665 /nfs/dbraw/zinc/48/96/65/1024489665.db2.gz IECAOGKIJLTOAH-UHFFFAOYSA-N 1 2 335.411 3.977 20 0 EHADLO CCc1nnc(C[N@@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)s1 ZINC000895433431 1024495872 /nfs/dbraw/zinc/49/58/72/1024495872.db2.gz MIIPNYDZNQRFDK-NSHDSACASA-N 1 2 337.876 3.757 20 0 EHADLO CCc1nnc(C[N@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)s1 ZINC000895433431 1024495873 /nfs/dbraw/zinc/49/58/73/1024495873.db2.gz MIIPNYDZNQRFDK-NSHDSACASA-N 1 2 337.876 3.757 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000346212812 1024504951 /nfs/dbraw/zinc/50/49/51/1024504951.db2.gz BJYYZFLYHXJVRF-UHFFFAOYSA-N 1 2 336.395 3.703 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277301923 1024512375 /nfs/dbraw/zinc/51/23/75/1024512375.db2.gz BDLRSHIACCOEFE-FYSMJZIKSA-N 1 2 343.492 3.563 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277301923 1024512386 /nfs/dbraw/zinc/51/23/86/1024512386.db2.gz BDLRSHIACCOEFE-FYSMJZIKSA-N 1 2 343.492 3.563 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H]2CCc3c2cccc3Cl)CC[S@@]1=O ZINC000346195257 1024516424 /nfs/dbraw/zinc/51/64/24/1024516424.db2.gz WJBOSPXJVISQTG-KKSFZXQISA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[S@@]1=O ZINC000346195257 1024516432 /nfs/dbraw/zinc/51/64/32/1024516432.db2.gz WJBOSPXJVISQTG-KKSFZXQISA-N 1 2 325.905 3.950 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425259447 1024536798 /nfs/dbraw/zinc/53/67/98/1024536798.db2.gz LXVZYESWIINRFD-KBXCAEBGSA-N 1 2 349.438 3.738 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC(C)(C)C3)n2)C1 ZINC000664461692 1024540824 /nfs/dbraw/zinc/54/08/24/1024540824.db2.gz CUAVPQOUGYZJLH-LBPRGKRZSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC(C)(C)C3)n2)C1 ZINC000664461692 1024540842 /nfs/dbraw/zinc/54/08/42/1024540842.db2.gz CUAVPQOUGYZJLH-LBPRGKRZSA-N 1 2 336.505 3.685 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@H](CO)c3c(F)cccc3F)cc2c1C ZINC000472065250 1024549262 /nfs/dbraw/zinc/54/92/62/1024549262.db2.gz WEFPPJKHYQMVAV-GOSISDBHSA-N 1 2 330.378 3.886 20 0 EHADLO CCOCc1ccccc1-c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000346325360 1024625663 /nfs/dbraw/zinc/62/56/63/1024625663.db2.gz HBLWGYXUHQAWOF-UHFFFAOYSA-N 1 2 347.378 3.521 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139555 1024647287 /nfs/dbraw/zinc/64/72/87/1024647287.db2.gz XIEILRIXEMXHFX-ZWNOBZJWSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139555 1024647293 /nfs/dbraw/zinc/64/72/93/1024647293.db2.gz XIEILRIXEMXHFX-ZWNOBZJWSA-N 1 2 342.386 3.986 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC(C)(C)C1 ZINC000474017398 1024662214 /nfs/dbraw/zinc/66/22/14/1024662214.db2.gz BUGQKUNTHPEHQW-KRWDZBQOSA-N 1 2 344.503 3.792 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000474275557 1024668265 /nfs/dbraw/zinc/66/82/65/1024668265.db2.gz MWBLDLHXDPCECW-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000474275557 1024668267 /nfs/dbraw/zinc/66/82/67/1024668267.db2.gz MWBLDLHXDPCECW-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CC(C)(C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)c1c[nH+]c[nH]1 ZINC000346441053 1024735850 /nfs/dbraw/zinc/73/58/50/1024735850.db2.gz XWLTXKRUJVRGIB-UHFFFAOYSA-N 1 2 338.238 3.579 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000514796598 1024747163 /nfs/dbraw/zinc/74/71/63/1024747163.db2.gz KZPLUQSPOCOMTM-CQSZACIVSA-N 1 2 327.428 3.686 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000514796598 1024747174 /nfs/dbraw/zinc/74/71/74/1024747174.db2.gz KZPLUQSPOCOMTM-CQSZACIVSA-N 1 2 327.428 3.686 20 0 EHADLO COc1ccccc1COc1cccc(NCc2c[nH+]cn2C)c1C ZINC000157073965 1024760457 /nfs/dbraw/zinc/76/04/57/1024760457.db2.gz SYMDRBLUCDISAA-UHFFFAOYSA-N 1 2 337.423 3.928 20 0 EHADLO O=C(/C=C\C1CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000843603465 1024770207 /nfs/dbraw/zinc/77/02/07/1024770207.db2.gz ZJUCCEVDYISKEO-HJWRWDBZSA-N 1 2 329.831 3.888 20 0 EHADLO CC(C)n1c[nH+]cc1CN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000425328483 1024773923 /nfs/dbraw/zinc/77/39/23/1024773923.db2.gz RMONOKTZVQEEJL-IBGZPJMESA-N 1 2 341.434 3.558 20 0 EHADLO C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000435326266 1024784557 /nfs/dbraw/zinc/78/45/57/1024784557.db2.gz CWANUORWWBOHTN-CQSZACIVSA-N 1 2 331.847 3.611 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485273 1024795009 /nfs/dbraw/zinc/79/50/09/1024795009.db2.gz LZWQGENCYPNZTG-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485273 1024795015 /nfs/dbraw/zinc/79/50/15/1024795015.db2.gz LZWQGENCYPNZTG-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)o1 ZINC000428293937 1024796927 /nfs/dbraw/zinc/79/69/27/1024796927.db2.gz DEBYZAIWIYGUBL-UHFFFAOYSA-N 1 2 337.826 3.660 20 0 EHADLO Cc1ccoc1C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000427843993 1024819835 /nfs/dbraw/zinc/81/98/35/1024819835.db2.gz NGCJYFNODCATDK-FQEVSTJZSA-N 1 2 334.419 3.735 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C1CC1)C(F)(F)F)Cc1ccccc1Cl ZINC000514883891 1024848716 /nfs/dbraw/zinc/84/87/16/1024848716.db2.gz DWOAVUBOCOIRPF-HNNXBMFYSA-N 1 2 348.796 3.619 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C1CC1)C(F)(F)F)Cc1ccccc1Cl ZINC000514883891 1024848731 /nfs/dbraw/zinc/84/87/31/1024848731.db2.gz DWOAVUBOCOIRPF-HNNXBMFYSA-N 1 2 348.796 3.619 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000157277158 1024864462 /nfs/dbraw/zinc/86/44/62/1024864462.db2.gz RFZXVSOUSHVQAZ-UHFFFAOYSA-N 1 2 341.455 3.523 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(O)c2)c2ccco2)cc1 ZINC000346560630 1024864381 /nfs/dbraw/zinc/86/43/81/1024864381.db2.gz HUQUSVYGDRQFQH-FQEVSTJZSA-N 1 2 339.391 3.882 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc2ccccc21 ZINC000346557723 1024897727 /nfs/dbraw/zinc/89/77/27/1024897727.db2.gz YQGNGSAXEPGGHZ-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342331497 1024913525 /nfs/dbraw/zinc/91/35/25/1024913525.db2.gz DAHXHBDSVCWMKH-UHFFFAOYSA-N 1 2 325.437 3.985 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000427990323 1024926976 /nfs/dbraw/zinc/92/69/76/1024926976.db2.gz IFUVUOLRHIRRIX-GFCCVEGCSA-N 1 2 341.798 3.541 20 0 EHADLO Cc1nc2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2s1 ZINC000346074045 1024927860 /nfs/dbraw/zinc/92/78/60/1024927860.db2.gz RDOWVVFYBGYAFS-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2cccc(F)c2F)CC1)n1cc[nH+]c1 ZINC000563218257 1024963361 /nfs/dbraw/zinc/96/33/61/1024963361.db2.gz RWULMVIWKANRHZ-ZDUSSCGKSA-N 1 2 333.382 3.519 20 0 EHADLO C[C@@H](CCCc1cccnc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000840328604 1024974359 /nfs/dbraw/zinc/97/43/59/1024974359.db2.gz PGMGKHPGJRUUJD-AWEZNQCLSA-N 1 2 338.459 3.800 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)n(-c4ccc(C)cc4)n3)ccc2[nH+]1 ZINC000346635618 1024975575 /nfs/dbraw/zinc/97/55/75/1024975575.db2.gz OQGHYRQUPOIJAM-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC[C@H](C)C[C@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516824 1024981559 /nfs/dbraw/zinc/98/15/59/1024981559.db2.gz JGKMYPGBQYHACD-WFASDCNBSA-N 1 2 340.427 3.841 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC[C@H](C)C[C@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516824 1024981562 /nfs/dbraw/zinc/98/15/62/1024981562.db2.gz JGKMYPGBQYHACD-WFASDCNBSA-N 1 2 340.427 3.841 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@H](C)c3nccnc3C)n2)c1 ZINC000895941275 1024997501 /nfs/dbraw/zinc/99/75/01/1024997501.db2.gz BQIAZLJQCREPQR-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO CCCn1nc(C)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1C ZINC000281395967 1024999854 /nfs/dbraw/zinc/99/98/54/1024999854.db2.gz HKXQZFORGSQNPX-UHFFFAOYSA-N 1 2 329.341 3.756 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)n1 ZINC000897945062 1033254335 /nfs/dbraw/zinc/25/43/35/1033254335.db2.gz XZYBWGIVSDKPRV-UHFFFAOYSA-N 1 2 330.428 3.813 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054840 1033254821 /nfs/dbraw/zinc/25/48/21/1033254821.db2.gz JXAQPBGEWOWOHD-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054840 1033254832 /nfs/dbraw/zinc/25/48/32/1033254832.db2.gz JXAQPBGEWOWOHD-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC(C)C)[C@H](C)C1 ZINC000508288742 1025015264 /nfs/dbraw/zinc/01/52/64/1025015264.db2.gz OCQMVZAXZWKNSG-QGZVFWFLSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC(C)C)[C@H](C)C1 ZINC000508288742 1025015276 /nfs/dbraw/zinc/01/52/76/1025015276.db2.gz OCQMVZAXZWKNSG-QGZVFWFLSA-N 1 2 332.488 3.554 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395201 1025021474 /nfs/dbraw/zinc/02/14/74/1025021474.db2.gz MZEKZVHEVCKHEG-JKSUJKDBSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395201 1025021484 /nfs/dbraw/zinc/02/14/84/1025021484.db2.gz MZEKZVHEVCKHEG-JKSUJKDBSA-N 1 2 330.255 3.792 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\C=C(Cl)Cl)c1C ZINC000895982209 1025038946 /nfs/dbraw/zinc/03/89/46/1025038946.db2.gz YYAMMYWKHOHGEE-ALCCZGGFSA-N 1 2 329.227 3.541 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000515140765 1025043062 /nfs/dbraw/zinc/04/30/62/1025043062.db2.gz FIODPEQGAWCPBD-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000515140765 1025043071 /nfs/dbraw/zinc/04/30/71/1025043071.db2.gz FIODPEQGAWCPBD-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO CSc1ccc(N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000346739105 1025073577 /nfs/dbraw/zinc/07/35/77/1025073577.db2.gz TZSGRXWRUZVWSA-UHFFFAOYSA-N 1 2 337.448 3.930 20 0 EHADLO O[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C1CCCCC1 ZINC000896019280 1025081879 /nfs/dbraw/zinc/08/18/79/1025081879.db2.gz DWBXRQANPICESS-QGZVFWFLSA-N 1 2 338.411 3.595 20 0 EHADLO Brc1cccc2c(N3CC[C@H]([C@@H]4CCOC4)C3)cc[nH+]c12 ZINC000441955456 1025116354 /nfs/dbraw/zinc/11/63/54/1025116354.db2.gz QTQPAXOKQOGBJZ-QWHCGFSZSA-N 1 2 347.256 3.860 20 0 EHADLO Cc1csc(C2([NH2+]Cc3nn(C)c4ccccc34)CCCC2)n1 ZINC000602911963 1033261316 /nfs/dbraw/zinc/26/13/16/1033261316.db2.gz RVBKQKLEPUGRHR-UHFFFAOYSA-N 1 2 326.469 3.897 20 0 EHADLO C[C@H](Oc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000191841869 1025151987 /nfs/dbraw/zinc/15/19/87/1025151987.db2.gz PCNTUPLUBPNKNM-HNNXBMFYSA-N 1 2 335.407 3.522 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H](C)C1 ZINC000113399541 1025174312 /nfs/dbraw/zinc/17/43/12/1025174312.db2.gz RVTUTKLTHRCECW-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1CC2(CCC2)C1 ZINC000521047355 1025182265 /nfs/dbraw/zinc/18/22/65/1025182265.db2.gz BYOROMBDBOUANO-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO CC[C@@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442234415 1025228960 /nfs/dbraw/zinc/22/89/60/1025228960.db2.gz ALXWLJBTWQTBJJ-SJLPKXTDSA-N 1 2 328.460 3.681 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(Nc3ccccn3)CC2)s1 ZINC000896196144 1025228975 /nfs/dbraw/zinc/22/89/75/1025228975.db2.gz YBSODXBDYGBZKY-UHFFFAOYSA-N 1 2 330.501 3.912 20 0 EHADLO CCCC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC)cc1 ZINC000152168215 1025260540 /nfs/dbraw/zinc/26/05/40/1025260540.db2.gz OLNLXFQNBKFWPN-APWZRJJASA-N 1 2 341.455 3.502 20 0 EHADLO CSC1CCC(C[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000896253656 1025285799 /nfs/dbraw/zinc/28/57/99/1025285799.db2.gz CWEFRJZVYQHYBM-UHFFFAOYSA-N 1 2 345.306 3.561 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452244 1025320301 /nfs/dbraw/zinc/32/03/01/1025320301.db2.gz CMTNEPPXEUDBFA-HZPDHXFCSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452244 1025320313 /nfs/dbraw/zinc/32/03/13/1025320313.db2.gz CMTNEPPXEUDBFA-HZPDHXFCSA-N 1 2 329.362 3.504 20 0 EHADLO CCOc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1C ZINC000113419906 1025330379 /nfs/dbraw/zinc/33/03/79/1025330379.db2.gz MODJDEDYSCFPSE-UHFFFAOYSA-N 1 2 335.407 3.509 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515548242 1025339501 /nfs/dbraw/zinc/33/95/01/1025339501.db2.gz PMAZAFDDTRRYLM-UHFFFAOYSA-N 1 2 346.421 3.618 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515548242 1025339515 /nfs/dbraw/zinc/33/95/15/1025339515.db2.gz PMAZAFDDTRRYLM-UHFFFAOYSA-N 1 2 346.421 3.618 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000281657770 1025340622 /nfs/dbraw/zinc/34/06/22/1025340622.db2.gz PZZXMWIHSVCGRA-KRWDZBQOSA-N 1 2 348.418 3.915 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4C[C@H]3C)n2)cc1 ZINC000607747550 1033281083 /nfs/dbraw/zinc/28/10/83/1033281083.db2.gz MGOKJHAQRJDSQL-CQSZACIVSA-N 1 2 335.407 3.692 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3Cc4ccccc4C[C@H]3C)n2)cc1 ZINC000607747550 1033281092 /nfs/dbraw/zinc/28/10/92/1033281092.db2.gz MGOKJHAQRJDSQL-CQSZACIVSA-N 1 2 335.407 3.692 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342421577 1025348288 /nfs/dbraw/zinc/34/82/88/1025348288.db2.gz HWUBFISSXOZMTH-OAHLLOKOSA-N 1 2 335.407 3.762 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ncc(Br)cn1 ZINC000353894680 1025368300 /nfs/dbraw/zinc/36/83/00/1025368300.db2.gz DZNDANAITZEMFV-NSHDSACASA-N 1 2 343.228 3.638 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CC(OC(C)C)C1 ZINC000428255260 1025382528 /nfs/dbraw/zinc/38/25/28/1025382528.db2.gz XHUWBWPLGOFRFP-UHFFFAOYSA-N 1 2 348.487 3.678 20 0 EHADLO Cc1c([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)nnn1-c1ccccc1 ZINC000346982772 1025384290 /nfs/dbraw/zinc/38/42/90/1025384290.db2.gz ZPPFFWYMIPWPBI-HNNXBMFYSA-N 1 2 348.454 3.744 20 0 EHADLO CCc1cnccc1-c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000346986422 1025387256 /nfs/dbraw/zinc/38/72/56/1025387256.db2.gz KEGURLBBRDFHNR-UHFFFAOYSA-N 1 2 331.379 3.855 20 0 EHADLO Fc1cncc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000346991420 1025394506 /nfs/dbraw/zinc/39/45/06/1025394506.db2.gz IJEZPOUVTUAKQG-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000515602496 1025395936 /nfs/dbraw/zinc/39/59/36/1025395936.db2.gz FEFULHPDHYKCDF-OXQOHEQNSA-N 1 2 340.467 3.954 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C(F)F)c1 ZINC000521460678 1025398185 /nfs/dbraw/zinc/39/81/85/1025398185.db2.gz JBWXHYWJOBBELJ-UNEWFSDZSA-N 1 2 327.415 3.921 20 0 EHADLO Cc1ccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CCC2)cc1 ZINC001125584231 1025404849 /nfs/dbraw/zinc/40/48/49/1025404849.db2.gz FPYBGNACTFFOKB-UHFFFAOYSA-N 1 2 345.446 3.919 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000892203445 1025412102 /nfs/dbraw/zinc/41/21/02/1025412102.db2.gz DPQQMVJWMFLLQX-QKFKETGDSA-N 1 2 331.485 3.539 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000892203445 1025412104 /nfs/dbraw/zinc/41/21/04/1025412104.db2.gz DPQQMVJWMFLLQX-QKFKETGDSA-N 1 2 331.485 3.539 20 0 EHADLO Cc1cncc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000442685390 1025422751 /nfs/dbraw/zinc/42/27/51/1025422751.db2.gz VEZBCAYINFYELR-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000442685390 1025422757 /nfs/dbraw/zinc/42/27/57/1025422757.db2.gz VEZBCAYINFYELR-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CCCCOCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436166362 1025429992 /nfs/dbraw/zinc/42/99/92/1025429992.db2.gz BWAHORUECRZNCO-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO CSCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436175954 1025447589 /nfs/dbraw/zinc/44/75/89/1025447589.db2.gz NLJXLJFKMVDMKP-UHFFFAOYSA-N 1 2 329.469 3.968 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000277497545 1025456028 /nfs/dbraw/zinc/45/60/28/1025456028.db2.gz CURZHFAMFBASOC-UHFFFAOYSA-N 1 2 335.276 3.695 20 0 EHADLO CCCOc1cccc2c(NCCOC3CCOCC3)cc[nH+]c12 ZINC000896466502 1025457373 /nfs/dbraw/zinc/45/73/73/1025457373.db2.gz KNXWUSAWPZPKIF-UHFFFAOYSA-N 1 2 330.428 3.631 20 0 EHADLO Cn1cc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000896456547 1025467299 /nfs/dbraw/zinc/46/72/99/1025467299.db2.gz WQWIUPNDPGFHFR-LBPRGKRZSA-N 1 2 347.431 3.628 20 0 EHADLO Cn1cc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000896456547 1025467307 /nfs/dbraw/zinc/46/73/07/1025467307.db2.gz WQWIUPNDPGFHFR-LBPRGKRZSA-N 1 2 347.431 3.628 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1 ZINC000515736044 1025547992 /nfs/dbraw/zinc/54/79/92/1025547992.db2.gz OHDLBZLVEZGZBX-ZNMIVQPWSA-N 1 2 346.421 3.924 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC000515736041 1025549186 /nfs/dbraw/zinc/54/91/86/1025549186.db2.gz OHDLBZLVEZGZBX-ILXRZTDVSA-N 1 2 346.421 3.924 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000498543615 1033290015 /nfs/dbraw/zinc/29/00/15/1033290015.db2.gz ZMMGTMNQCUGRBI-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000425509393 1025567808 /nfs/dbraw/zinc/56/78/08/1025567808.db2.gz IGHPEGDDMBACBG-UHFFFAOYSA-N 1 2 348.878 3.691 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281850988 1025579282 /nfs/dbraw/zinc/57/92/82/1025579282.db2.gz BEVBWEMGOKKWHP-FYCOFBDGSA-N 1 2 341.480 3.700 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530281670 1025590188 /nfs/dbraw/zinc/59/01/88/1025590188.db2.gz GSTBZHRLKDCWAQ-YOEHRIQHSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530281670 1025590203 /nfs/dbraw/zinc/59/02/03/1025590203.db2.gz GSTBZHRLKDCWAQ-YOEHRIQHSA-N 1 2 337.467 3.750 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[C@H](C(C)C)C1)C2 ZINC000530281926 1025592059 /nfs/dbraw/zinc/59/20/59/1025592059.db2.gz NBUIDGTXEYMTBH-XHSDSOJGSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[C@H](C(C)C)C1)CC2 ZINC000530281926 1025592067 /nfs/dbraw/zinc/59/20/67/1025592067.db2.gz NBUIDGTXEYMTBH-XHSDSOJGSA-N 1 2 331.504 3.969 20 0 EHADLO F[C@H]1CCN(C2C[NH+](Cc3ccc(-c4ccccc4Cl)o3)C2)C1 ZINC001204739074 1025599878 /nfs/dbraw/zinc/59/98/78/1025599878.db2.gz PLGHXGVVYFWCQK-ZDUSSCGKSA-N 1 2 334.822 3.828 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1(C)CCC(C)CC1)C2 ZINC000530303337 1025623014 /nfs/dbraw/zinc/62/30/14/1025623014.db2.gz FSZGBXUIERAJNY-CHWWFWEZSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1(C)CCC(C)CC1)CC2 ZINC000530303337 1025623022 /nfs/dbraw/zinc/62/30/22/1025623022.db2.gz FSZGBXUIERAJNY-CHWWFWEZSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)(C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1)c1c[nH+]c[nH]1 ZINC000347184245 1025630231 /nfs/dbraw/zinc/63/02/31/1025630231.db2.gz MPHPNLPRMNGYOR-AWEZNQCLSA-N 1 2 349.887 3.734 20 0 EHADLO CCCc1occc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281895011 1025647173 /nfs/dbraw/zinc/64/71/73/1025647173.db2.gz NWXIFNOWVVNQOF-OAHLLOKOSA-N 1 2 342.439 3.878 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000515860867 1025688040 /nfs/dbraw/zinc/68/80/40/1025688040.db2.gz MQJVOWZLTOWCKV-MGPQQGTHSA-N 1 2 343.393 3.900 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582264885 1025696873 /nfs/dbraw/zinc/69/68/73/1025696873.db2.gz DCQPKICFAVBEPB-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582264885 1025696889 /nfs/dbraw/zinc/69/68/89/1025696889.db2.gz DCQPKICFAVBEPB-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1ccccc1/C=C\C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000521829269 1025697315 /nfs/dbraw/zinc/69/73/15/1025697315.db2.gz WSRDUXKZQKKXPI-NTMALXAHSA-N 1 2 327.428 3.849 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000425548013 1025717012 /nfs/dbraw/zinc/71/70/12/1025717012.db2.gz JEIHNDNYXZJVRY-CRAIPNDOSA-N 1 2 328.799 3.789 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000425548013 1025717024 /nfs/dbraw/zinc/71/70/24/1025717024.db2.gz JEIHNDNYXZJVRY-CRAIPNDOSA-N 1 2 328.799 3.789 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000657381614 1025726332 /nfs/dbraw/zinc/72/63/32/1025726332.db2.gz HCZDYVAYIPOURZ-KBPBESRZSA-N 1 2 347.459 3.632 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316595 1025726918 /nfs/dbraw/zinc/72/69/18/1025726918.db2.gz ANRKZPURAQWIEH-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)s1 ZINC000347248898 1025742955 /nfs/dbraw/zinc/74/29/55/1025742955.db2.gz FTLSODBIVFMXOM-CYBMUJFWSA-N 1 2 335.904 3.984 20 0 EHADLO COc1ncncc1C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000648002152 1025745537 /nfs/dbraw/zinc/74/55/37/1025745537.db2.gz AYLBAPZYPMXZGE-LLVKDONJSA-N 1 2 325.334 3.697 20 0 EHADLO COc1ncncc1C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000648002152 1025745551 /nfs/dbraw/zinc/74/55/51/1025745551.db2.gz AYLBAPZYPMXZGE-LLVKDONJSA-N 1 2 325.334 3.697 20 0 EHADLO COc1ccc(OC)c([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000436493140 1025776966 /nfs/dbraw/zinc/77/69/66/1025776966.db2.gz LEKFZRWHSUCMPK-ZDUSSCGKSA-N 1 2 343.427 3.907 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2ccccc2)CC(C)(C)O)c(C)[nH+]1 ZINC000436493055 1025778109 /nfs/dbraw/zinc/77/81/09/1025778109.db2.gz KVYPYEYEDUCSNI-UHFFFAOYSA-N 1 2 341.455 3.812 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccccc2OC(F)F)c(C)[nH+]1 ZINC000436494117 1025780496 /nfs/dbraw/zinc/78/04/96/1025780496.db2.gz MSKLZAQARWXQBY-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO Cc1cccc(N2CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC000436489857 1025792369 /nfs/dbraw/zinc/79/23/69/1025792369.db2.gz GUFOFUITTYYHGV-UHFFFAOYSA-N 1 2 338.455 3.669 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCc4cc(F)ccc43)c[nH+]2)C[C@@H](C)O1 ZINC000530424999 1025794000 /nfs/dbraw/zinc/79/40/00/1025794000.db2.gz UENXOEBVGXBXMQ-LPMFXHHGSA-N 1 2 341.430 3.934 20 0 EHADLO Cn1c[nH+]cc1COc1ccc(Br)cc1C(F)(F)F ZINC000342485724 1025827432 /nfs/dbraw/zinc/82/74/32/1025827432.db2.gz WNKMQJXNEDGKBH-UHFFFAOYSA-N 1 2 335.123 3.780 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)s1 ZINC000303957743 1025849721 /nfs/dbraw/zinc/84/97/21/1025849721.db2.gz XZZOZZGZNWNNNR-ZFWWWQNUSA-N 1 2 339.549 3.900 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)s1 ZINC000303957743 1025849733 /nfs/dbraw/zinc/84/97/33/1025849733.db2.gz XZZOZZGZNWNNNR-ZFWWWQNUSA-N 1 2 339.549 3.900 20 0 EHADLO Cc1[nH]c(CNC(=O)C(F)(F)c2cccc(Cl)c2Cl)[nH+]c1C ZINC000896907204 1025892240 /nfs/dbraw/zinc/89/22/40/1025892240.db2.gz JHCUSFMKVYEPST-UHFFFAOYSA-N 1 2 348.180 3.742 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(CC(F)(F)F)c2)c[nH+]1 ZINC000896719070 1025901508 /nfs/dbraw/zinc/90/15/08/1025901508.db2.gz IUZKHAUBBBKJCZ-UHFFFAOYSA-N 1 2 325.334 3.670 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000158396452 1025913233 /nfs/dbraw/zinc/91/32/33/1025913233.db2.gz JBVPDQONCAAOCI-GFCCVEGCSA-N 1 2 341.242 3.608 20 0 EHADLO CC(C)c1cc(N2CCC(c3ccncn3)CC2)nc(C(C)C)[nH+]1 ZINC000413470577 1025939940 /nfs/dbraw/zinc/93/99/40/1025939940.db2.gz NJWWTXLUSZADRZ-UHFFFAOYSA-N 1 2 325.460 3.897 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516838 1025974715 /nfs/dbraw/zinc/97/47/15/1025974715.db2.gz VXSXAWHNIIJVFY-MJGOQNOKSA-N 1 2 333.447 3.999 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516838 1025974730 /nfs/dbraw/zinc/97/47/30/1025974730.db2.gz VXSXAWHNIIJVFY-MJGOQNOKSA-N 1 2 333.447 3.999 20 0 EHADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Br)cc1Cl ZINC000191174651 1025974883 /nfs/dbraw/zinc/97/48/83/1025974883.db2.gz UHIDBYPBAHNHGU-NXEZZACHSA-N 1 2 332.669 3.836 20 0 EHADLO C[C@H](CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)n1cc[nH+]c1 ZINC000516099483 1025975145 /nfs/dbraw/zinc/97/51/45/1025975145.db2.gz FLMDAKWTWRHNLS-CQSZACIVSA-N 1 2 337.427 3.549 20 0 EHADLO CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1C ZINC000474974598 1025990122 /nfs/dbraw/zinc/99/01/22/1025990122.db2.gz RXGXKTDHVJFEPS-UHFFFAOYSA-N 1 2 343.377 3.984 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)[nH+]c1C ZINC000896923138 1026062594 /nfs/dbraw/zinc/06/25/94/1026062594.db2.gz HKUPSZHONZRSGR-HNNXBMFYSA-N 1 2 329.444 3.542 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)s1 ZINC000314621676 1026064978 /nfs/dbraw/zinc/06/49/78/1026064978.db2.gz JXAPQXKUYRCUIV-ZYHUDNBSSA-N 1 2 334.466 3.817 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH2+]Cc2nc3c(s2)CCCC3)s1 ZINC000896823882 1026093679 /nfs/dbraw/zinc/09/36/79/1026093679.db2.gz YAAFNGCACIOEDV-UHFFFAOYSA-N 1 2 347.431 3.873 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCC[C@@H]3C)cn2c1 ZINC000042463910 1026094121 /nfs/dbraw/zinc/09/41/21/1026094121.db2.gz GYWPCYWFUILQJF-GOEBONIOSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c(F)c1 ZINC000042469125 1026096484 /nfs/dbraw/zinc/09/64/84/1026096484.db2.gz LXPIANCLUMILKN-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000451549083 1026099585 /nfs/dbraw/zinc/09/95/85/1026099585.db2.gz VWJNQEBZQXCMJH-NHYWBVRUSA-N 1 2 342.270 3.888 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000451549083 1026099602 /nfs/dbraw/zinc/09/96/02/1026099602.db2.gz VWJNQEBZQXCMJH-NHYWBVRUSA-N 1 2 342.270 3.888 20 0 EHADLO CC(C)CO[C@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825783 1026099949 /nfs/dbraw/zinc/09/99/49/1026099949.db2.gz PMRJHUDVUKAPFS-CQSZACIVSA-N 1 2 326.400 3.580 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000516208354 1026137135 /nfs/dbraw/zinc/13/71/35/1026137135.db2.gz OGPSBOZHMFQZJG-YJBOKZPZSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@@H](N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC000530688150 1026202437 /nfs/dbraw/zinc/20/24/37/1026202437.db2.gz JWHAHLSIDCQRDD-LLVKDONJSA-N 1 2 340.311 3.774 20 0 EHADLO O=C1NCCC2(CC[NH+](Cc3csc(Cl)c3Cl)CC2)O1 ZINC000897014113 1026227351 /nfs/dbraw/zinc/22/73/51/1026227351.db2.gz UIVZYAVSSQVFAQ-UHFFFAOYSA-N 1 2 335.256 3.519 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000111292253 1026252467 /nfs/dbraw/zinc/25/24/67/1026252467.db2.gz YUCSDVHPVORSSG-KRWDZBQOSA-N 1 2 347.528 3.778 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000111292253 1026252481 /nfs/dbraw/zinc/25/24/81/1026252481.db2.gz YUCSDVHPVORSSG-KRWDZBQOSA-N 1 2 347.528 3.778 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152524505 1026286561 /nfs/dbraw/zinc/28/65/61/1026286561.db2.gz SEOGPIMWHQLRQS-VQIMIIECSA-N 1 2 325.456 3.658 20 0 EHADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897072300 1026298913 /nfs/dbraw/zinc/29/89/13/1026298913.db2.gz KAYGRXVRVGGEJN-SEBNEYGDSA-N 1 2 331.213 3.585 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000511128742 1026303221 /nfs/dbraw/zinc/30/32/21/1026303221.db2.gz YBLKLWJYIMEUQR-OAQYLSRUSA-N 1 2 336.435 3.636 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000511128742 1026303233 /nfs/dbraw/zinc/30/32/33/1026303233.db2.gz YBLKLWJYIMEUQR-OAQYLSRUSA-N 1 2 336.435 3.636 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451817570 1026307039 /nfs/dbraw/zinc/30/70/39/1026307039.db2.gz RXSWLJMYNSPRNE-UHFFFAOYSA-N 1 2 330.472 3.784 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000451817570 1026307054 /nfs/dbraw/zinc/30/70/54/1026307054.db2.gz RXSWLJMYNSPRNE-UHFFFAOYSA-N 1 2 330.472 3.784 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000277612926 1026315877 /nfs/dbraw/zinc/31/58/77/1026315877.db2.gz WNNHWHWFJDMYJY-NPMABZOXSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000277612926 1026315891 /nfs/dbraw/zinc/31/58/91/1026315891.db2.gz WNNHWHWFJDMYJY-NPMABZOXSA-N 1 2 335.444 3.595 20 0 EHADLO COc1ccc(OC)c([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000192752129 1026336015 /nfs/dbraw/zinc/33/60/15/1026336015.db2.gz SFPYSKPRODXYST-CQSZACIVSA-N 1 2 327.428 3.872 20 0 EHADLO FC(F)c1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000475204861 1026371691 /nfs/dbraw/zinc/37/16/91/1026371691.db2.gz JYOFXEMKXDWXEZ-GOSISDBHSA-N 1 2 333.378 3.904 20 0 EHADLO FC(F)c1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000475204861 1026371703 /nfs/dbraw/zinc/37/17/03/1026371703.db2.gz JYOFXEMKXDWXEZ-GOSISDBHSA-N 1 2 333.378 3.904 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)[C@@H](C)C3CCCCC3)[nH+]c12 ZINC000530890923 1026379007 /nfs/dbraw/zinc/37/90/07/1026379007.db2.gz YKLUZTNAPDRPNG-HZPDHXFCSA-N 1 2 327.472 3.906 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000530899315 1026384879 /nfs/dbraw/zinc/38/48/79/1026384879.db2.gz YWYOFNCQKAFJBI-UKRRQHHQSA-N 1 2 332.473 3.829 20 0 EHADLO CC(C)(C)n1ncnc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451964061 1026399704 /nfs/dbraw/zinc/39/97/04/1026399704.db2.gz JGKIWSGJAJWTFV-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278921 1026430276 /nfs/dbraw/zinc/43/02/76/1026430276.db2.gz LUMHRJTZRFHGOJ-GXSJLCMTSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278921 1026430282 /nfs/dbraw/zinc/43/02/82/1026430282.db2.gz LUMHRJTZRFHGOJ-GXSJLCMTSA-N 1 2 331.769 3.999 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2C)n1 ZINC000451974816 1026430369 /nfs/dbraw/zinc/43/03/69/1026430369.db2.gz SYKUGFJBHFMJHZ-HNNXBMFYSA-N 1 2 333.432 3.675 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)n1 ZINC000451974816 1026430373 /nfs/dbraw/zinc/43/03/73/1026430373.db2.gz SYKUGFJBHFMJHZ-HNNXBMFYSA-N 1 2 333.432 3.675 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000530962524 1026436937 /nfs/dbraw/zinc/43/69/37/1026436937.db2.gz CBDZGZHDXSAMDD-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000530962524 1026436943 /nfs/dbraw/zinc/43/69/43/1026436943.db2.gz CBDZGZHDXSAMDD-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)C1CCCCC1 ZINC000475286699 1026442921 /nfs/dbraw/zinc/44/29/21/1026442921.db2.gz KWHHYJXCHILVCF-LSDHHAIUSA-N 1 2 328.460 3.738 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+](C)Cc2ccc(Cl)s2)c1 ZINC000511142676 1026451616 /nfs/dbraw/zinc/45/16/16/1026451616.db2.gz MPXHWYYUSRKNLD-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+](C)Cc2ccc(Cl)s2)c1 ZINC000511142676 1026451621 /nfs/dbraw/zinc/45/16/21/1026451621.db2.gz MPXHWYYUSRKNLD-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cnc(C3CCC3)s2)oc1C ZINC000122441129 1026465878 /nfs/dbraw/zinc/46/58/78/1026465878.db2.gz VYUOVJVQHZXPRB-UHFFFAOYSA-N 1 2 334.441 3.731 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cnc(C3CCC3)s2)oc1C ZINC000122441129 1026465884 /nfs/dbraw/zinc/46/58/84/1026465884.db2.gz VYUOVJVQHZXPRB-UHFFFAOYSA-N 1 2 334.441 3.731 20 0 EHADLO COCc1cnc(C[N@H+]2CC=C(c3cccc(OC)c3)CC2)s1 ZINC000342617886 1026470271 /nfs/dbraw/zinc/47/02/71/1026470271.db2.gz QQPNIHCNVJHIOH-UHFFFAOYSA-N 1 2 330.453 3.587 20 0 EHADLO COCc1cnc(C[N@@H+]2CC=C(c3cccc(OC)c3)CC2)s1 ZINC000342617886 1026470278 /nfs/dbraw/zinc/47/02/78/1026470278.db2.gz QQPNIHCNVJHIOH-UHFFFAOYSA-N 1 2 330.453 3.587 20 0 EHADLO C[C@@H](CCC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000159077839 1026483973 /nfs/dbraw/zinc/48/39/73/1026483973.db2.gz NDNPHEIUIRRMOH-KRWDZBQOSA-N 1 2 325.456 3.974 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)CCO2)cc1 ZINC000277671541 1026515092 /nfs/dbraw/zinc/51/50/92/1026515092.db2.gz DSXWDZHEQZRYPL-DLBZAZTESA-N 1 2 342.418 3.548 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)CCO2)cc1 ZINC000277671541 1026515100 /nfs/dbraw/zinc/51/51/00/1026515100.db2.gz DSXWDZHEQZRYPL-DLBZAZTESA-N 1 2 342.418 3.548 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccn(CCC(C)C)n2)c1 ZINC000122621441 1026622112 /nfs/dbraw/zinc/62/21/12/1026622112.db2.gz YEKNGIKLFRKDGT-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000452303364 1026644745 /nfs/dbraw/zinc/64/47/45/1026644745.db2.gz XLCUKXJUUZMGQB-AWEZNQCLSA-N 1 2 333.382 3.736 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000452331109 1026662261 /nfs/dbraw/zinc/66/22/61/1026662261.db2.gz CFMKSAFCVUKTOU-RFGFWPKPSA-N 1 2 325.412 3.678 20 0 EHADLO COc1ccc(-c2noc(COc3ccccc3-n3cc[nH+]c3)n2)cc1 ZINC000531193814 1026666020 /nfs/dbraw/zinc/66/60/20/1026666020.db2.gz KCFIDKSVENPDQL-UHFFFAOYSA-N 1 2 348.362 3.510 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000452350976 1026685607 /nfs/dbraw/zinc/68/56/07/1026685607.db2.gz YQVQWOQHVIYGLO-UONOGXRCSA-N 1 2 349.356 3.980 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531210344 1026690051 /nfs/dbraw/zinc/69/00/51/1026690051.db2.gz SHTKWMBKYJOUQR-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531210344 1026690061 /nfs/dbraw/zinc/69/00/61/1026690061.db2.gz SHTKWMBKYJOUQR-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO COc1ccccc1N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301130208 1026696521 /nfs/dbraw/zinc/69/65/21/1026696521.db2.gz QROSCGPXOKZWRA-MRXNPFEDSA-N 1 2 340.471 3.855 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122720261 1026705168 /nfs/dbraw/zinc/70/51/68/1026705168.db2.gz LMUKRAHVXOEPDZ-PBHICJAKSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@H]1CCN(C(=O)CSc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122759863 1026718227 /nfs/dbraw/zinc/71/82/27/1026718227.db2.gz CTYURCQFSRUWRI-ZFWWWQNUSA-N 1 2 349.887 3.738 20 0 EHADLO Cc1nc(Cl)cc(NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000301208960 1026724567 /nfs/dbraw/zinc/72/45/67/1026724567.db2.gz VGFWRJWOXDDRCU-UHFFFAOYSA-N 1 2 331.851 3.826 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1OCCC(C)C ZINC000152884273 1026769990 /nfs/dbraw/zinc/76/99/90/1026769990.db2.gz VDLPNZCCRUKVBY-INIZCTEOSA-N 1 2 341.455 3.818 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@H](OCC)C1 ZINC000301374986 1026781151 /nfs/dbraw/zinc/78/11/51/1026781151.db2.gz VKDKXCKUNZIUHV-HNNXBMFYSA-N 1 2 342.439 3.725 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H]1CCCOC1 ZINC000301379230 1026782826 /nfs/dbraw/zinc/78/28/26/1026782826.db2.gz XONJPQHQFJLQMF-CQSZACIVSA-N 1 2 328.412 3.558 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1 ZINC000531324188 1026811843 /nfs/dbraw/zinc/81/18/43/1026811843.db2.gz PXPXLYQUOSLUSY-IAGOWNOFSA-N 1 2 333.435 3.853 20 0 EHADLO COc1ncc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cl ZINC000342718577 1026828868 /nfs/dbraw/zinc/82/88/68/1026828868.db2.gz YUYVEOSTGBXGAQ-GFCCVEGCSA-N 1 2 334.851 3.906 20 0 EHADLO C[NH+](C)[C@H](CNc1ncc(Cl)cc1F)c1c(F)cccc1F ZINC000301527084 1026838707 /nfs/dbraw/zinc/83/87/07/1026838707.db2.gz IHDKNJRLNBRTRF-CYBMUJFWSA-N 1 2 329.753 3.867 20 0 EHADLO COc1ccccc1N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301586423 1026863608 /nfs/dbraw/zinc/86/36/08/1026863608.db2.gz BIORNJNFKLAXTR-OAHLLOKOSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)ccn3)CC2)[nH+]c1 ZINC000301589392 1026863859 /nfs/dbraw/zinc/86/38/59/1026863859.db2.gz XAHDPFPQMLKDEZ-UHFFFAOYSA-N 1 2 336.361 3.885 20 0 EHADLO CCC(CC)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000531395326 1026863925 /nfs/dbraw/zinc/86/39/25/1026863925.db2.gz XZXYZBMYMQRBGN-UHFFFAOYSA-N 1 2 326.444 3.735 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001271573248 1026905991 /nfs/dbraw/zinc/90/59/91/1026905991.db2.gz YZCRQAXDDITLTF-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001271573248 1026905995 /nfs/dbraw/zinc/90/59/95/1026905995.db2.gz YZCRQAXDDITLTF-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000452663914 1026909095 /nfs/dbraw/zinc/90/90/95/1026909095.db2.gz CYQCLSWZIYFBNQ-SFHVURJKSA-N 1 2 327.472 3.805 20 0 EHADLO C[C@H]1C[C@]1(NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000582676874 1026918950 /nfs/dbraw/zinc/91/89/50/1026918950.db2.gz LQZXZJZAUDCUJG-KBXCAEBGSA-N 1 2 346.862 3.551 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1-n1cccn1 ZINC000301807351 1026945816 /nfs/dbraw/zinc/94/58/16/1026945816.db2.gz CFYXVAALPOXGNI-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1-n1cccn1 ZINC000301807351 1026945823 /nfs/dbraw/zinc/94/58/23/1026945823.db2.gz CFYXVAALPOXGNI-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000548752870 1026995627 /nfs/dbraw/zinc/99/56/27/1026995627.db2.gz ADBJFQUBOMNADO-HTQZYQBOSA-N 1 2 328.235 3.543 20 0 EHADLO Cc1nc(N2CCN(c3ccc(F)cc3Cl)CC2)c(C)c(C)[nH+]1 ZINC000301831058 1026955467 /nfs/dbraw/zinc/95/54/67/1026955467.db2.gz QDZOGGKFRRBDEE-UHFFFAOYSA-N 1 2 334.826 3.521 20 0 EHADLO c1ccc(SC[C@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)cc1 ZINC000301836809 1026958867 /nfs/dbraw/zinc/95/88/67/1026958867.db2.gz VPAUDZJFFVRTBI-INIZCTEOSA-N 1 2 340.496 3.917 20 0 EHADLO c1ccc(SC[C@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)cc1 ZINC000301836809 1026958873 /nfs/dbraw/zinc/95/88/73/1026958873.db2.gz VPAUDZJFFVRTBI-INIZCTEOSA-N 1 2 340.496 3.917 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C12CCCC2 ZINC000301850939 1026963927 /nfs/dbraw/zinc/96/39/27/1026963927.db2.gz ALQBNQWQWFDFAP-HUUCEWRRSA-N 1 2 343.475 3.731 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cc2ccccc2o1 ZINC000301860995 1026969468 /nfs/dbraw/zinc/96/94/68/1026969468.db2.gz DRNKWLGNKQCEPP-UHFFFAOYSA-N 1 2 335.411 3.982 20 0 EHADLO Nc1nc(NCc2sccc2Br)[nH+]c2ccccc12 ZINC000301881212 1026975824 /nfs/dbraw/zinc/97/58/24/1026975824.db2.gz MCTKUCVNEDMNSU-UHFFFAOYSA-N 1 2 335.230 3.648 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCSC2(CCCCC2)C1 ZINC000301887137 1026980302 /nfs/dbraw/zinc/98/03/02/1026980302.db2.gz MOPCSOXQFLYWOY-UHFFFAOYSA-N 1 2 345.516 3.837 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@H]1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301899119 1026985013 /nfs/dbraw/zinc/98/50/13/1026985013.db2.gz SVPUTTGLMSWHIR-ZFWWWQNUSA-N 1 2 345.491 3.835 20 0 EHADLO Nc1nc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)[nH+]c2ccccc12 ZINC000301922327 1026995408 /nfs/dbraw/zinc/99/54/08/1026995408.db2.gz XTSLHOUEMILJNU-CQSZACIVSA-N 1 2 340.814 3.523 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000548754341 1027000683 /nfs/dbraw/zinc/00/06/83/1027000683.db2.gz XVZDJQAXGUXRBH-GUTXKFCHSA-N 1 2 343.452 3.502 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000548754341 1027000684 /nfs/dbraw/zinc/00/06/84/1027000684.db2.gz XVZDJQAXGUXRBH-GUTXKFCHSA-N 1 2 343.452 3.502 20 0 EHADLO CC(C)Oc1cccc(CN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000123193900 1027011745 /nfs/dbraw/zinc/01/17/45/1027011745.db2.gz MJUASCIHFLYOPW-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO COC(=O)c1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)nc1C1CC1 ZINC000302024558 1027026402 /nfs/dbraw/zinc/02/64/02/1027026402.db2.gz JTNKADZHAKQORP-UHFFFAOYSA-N 1 2 340.427 3.580 20 0 EHADLO COc1ccc([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c(OC)c1 ZINC000302045162 1027034140 /nfs/dbraw/zinc/03/41/40/1027034140.db2.gz KCFZYNOLIAGBPX-GFCCVEGCSA-N 1 2 327.428 3.854 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccccc3Cl)C2)c2c([nH+]1)CCCC2 ZINC000302047176 1027034222 /nfs/dbraw/zinc/03/42/22/1027034222.db2.gz LLXVNNWJJAIZHM-GOSISDBHSA-N 1 2 343.858 3.895 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000074549603 1027036298 /nfs/dbraw/zinc/03/62/98/1027036298.db2.gz ORVVVLICLIVSPJ-QGZVFWFLSA-N 1 2 329.444 3.576 20 0 EHADLO Cc1nc(NCc2ccc(O)c(Br)c2)c2c([nH+]1)CCCC2 ZINC000302071079 1027043378 /nfs/dbraw/zinc/04/33/78/1027043378.db2.gz FGIOHCHIZJDANY-UHFFFAOYSA-N 1 2 348.244 3.744 20 0 EHADLO CCSc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000531580881 1027068733 /nfs/dbraw/zinc/06/87/33/1027068733.db2.gz UCMKURWOQMJCQG-ZBFHGGJFSA-N 1 2 329.469 3.718 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023313 1027079244 /nfs/dbraw/zinc/07/92/44/1027079244.db2.gz HOUJXRRYAJQUBW-GFCCVEGCSA-N 1 2 331.865 3.508 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023313 1027079251 /nfs/dbraw/zinc/07/92/51/1027079251.db2.gz HOUJXRRYAJQUBW-GFCCVEGCSA-N 1 2 331.865 3.508 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000302218933 1027094570 /nfs/dbraw/zinc/09/45/70/1027094570.db2.gz LICYFXFLAMQDTK-UHFFFAOYSA-N 1 2 341.484 3.812 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(Cl)cs2)n1 ZINC000760144734 1027115998 /nfs/dbraw/zinc/11/59/98/1027115998.db2.gz IKVWZAGZRCQGBX-UHFFFAOYSA-N 1 2 329.878 3.952 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075531967 1027143352 /nfs/dbraw/zinc/14/33/52/1027143352.db2.gz HUUFYYLHBHAOKX-DOTOQJQBSA-N 1 2 343.496 3.933 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534124 1027145282 /nfs/dbraw/zinc/14/52/82/1027145282.db2.gz JZABCVBGOQFKFD-CHWSQXEVSA-N 1 2 349.887 3.950 20 0 EHADLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000126029552 1027154576 /nfs/dbraw/zinc/15/45/76/1027154576.db2.gz LKEYASTXVNWAAK-VIFPVBQESA-N 1 2 343.736 3.756 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c(Cl)c1 ZINC000657549704 1027159076 /nfs/dbraw/zinc/15/90/76/1027159076.db2.gz IMIBVQYJOQPCDI-UHFFFAOYSA-N 1 2 333.716 3.886 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272903131 1027168871 /nfs/dbraw/zinc/16/88/71/1027168871.db2.gz GIHYMYAPGQHZPR-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272903131 1027168887 /nfs/dbraw/zinc/16/88/87/1027168887.db2.gz GIHYMYAPGQHZPR-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000302497324 1027170207 /nfs/dbraw/zinc/17/02/07/1027170207.db2.gz BRRPWZOWTBDKEX-IUODEOHRSA-N 1 2 331.382 3.804 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075556053 1027172500 /nfs/dbraw/zinc/17/25/00/1027172500.db2.gz NOFWAJQFGDHFJM-QGZVFWFLSA-N 1 2 341.455 3.999 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000075863351 1027199075 /nfs/dbraw/zinc/19/90/75/1027199075.db2.gz WTJWNPPXPPETCV-CQSZACIVSA-N 1 2 348.878 3.725 20 0 EHADLO Cc1cc(NCC2CCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000302573923 1027202897 /nfs/dbraw/zinc/20/28/97/1027202897.db2.gz ZSJNRAMVWZPELS-UHFFFAOYSA-N 1 2 330.398 3.595 20 0 EHADLO CCN(C[C@H]1CCOC1)c1[nH+]ccc2cc(Br)ccc21 ZINC000665708120 1027223296 /nfs/dbraw/zinc/22/32/96/1027223296.db2.gz LKIUOCADIBMRBF-GFCCVEGCSA-N 1 2 335.245 3.860 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302686906 1027237271 /nfs/dbraw/zinc/23/72/71/1027237271.db2.gz ANSVSCHSIKKPTH-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302686906 1027237287 /nfs/dbraw/zinc/23/72/87/1027237287.db2.gz ANSVSCHSIKKPTH-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)nc2sccn21 ZINC000044895698 1027244381 /nfs/dbraw/zinc/24/43/81/1027244381.db2.gz GNEWUYUDYMTXFL-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)nc2sccn21 ZINC000044895698 1027244397 /nfs/dbraw/zinc/24/43/97/1027244397.db2.gz GNEWUYUDYMTXFL-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3ccsc3C2)c1OC(F)F ZINC000127063314 1027268788 /nfs/dbraw/zinc/26/87/88/1027268788.db2.gz ALDFBTSJQWNEBB-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1cccc(C[N@H+]2CCc3ccsc3C2)c1OC(F)F ZINC000127063314 1027268803 /nfs/dbraw/zinc/26/88/03/1027268803.db2.gz ALDFBTSJQWNEBB-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000273102471 1027269317 /nfs/dbraw/zinc/26/93/17/1027269317.db2.gz IXIQLXVLFLFUQF-DOTOQJQBSA-N 1 2 335.407 3.866 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000454222419 1027270719 /nfs/dbraw/zinc/27/07/19/1027270719.db2.gz NMGYIRZYFGIWPV-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@]1(F)CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428756 1027277192 /nfs/dbraw/zinc/27/71/92/1027277192.db2.gz UNYJKYCGLZQCBL-PZJWPPBQSA-N 1 2 340.442 3.521 20 0 EHADLO C[C@@]1(F)CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428756 1027277209 /nfs/dbraw/zinc/27/72/09/1027277209.db2.gz UNYJKYCGLZQCBL-PZJWPPBQSA-N 1 2 340.442 3.521 20 0 EHADLO CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000336886150 1027277673 /nfs/dbraw/zinc/27/76/73/1027277673.db2.gz FLWKLOARRCLSJV-UHFFFAOYSA-N 1 2 334.423 3.543 20 0 EHADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000273139740 1027283254 /nfs/dbraw/zinc/28/32/54/1027283254.db2.gz DRKWAIMCSJJUQA-CHWSQXEVSA-N 1 2 349.377 3.928 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c(C)s1 ZINC000302782825 1027288720 /nfs/dbraw/zinc/28/87/20/1027288720.db2.gz KPQLESOEEYYNSP-DZGCQCFKSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c(C)s1 ZINC000302782825 1027288730 /nfs/dbraw/zinc/28/87/30/1027288730.db2.gz KPQLESOEEYYNSP-DZGCQCFKSA-N 1 2 346.500 3.679 20 0 EHADLO Brc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)s1 ZINC000302784351 1027289875 /nfs/dbraw/zinc/28/98/75/1027289875.db2.gz LRSMAZOBJZCBID-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Brc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)s1 ZINC000302784351 1027289894 /nfs/dbraw/zinc/28/98/94/1027289894.db2.gz LRSMAZOBJZCBID-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c(C)s1 ZINC000302801850 1027300827 /nfs/dbraw/zinc/30/08/27/1027300827.db2.gz UKQMXPJQHYLWTK-GFCCVEGCSA-N 1 2 334.514 3.881 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c(C)s1 ZINC000302801850 1027300843 /nfs/dbraw/zinc/30/08/43/1027300843.db2.gz UKQMXPJQHYLWTK-GFCCVEGCSA-N 1 2 334.514 3.881 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000076604385 1027305174 /nfs/dbraw/zinc/30/51/74/1027305174.db2.gz ANPZRFGQICREQQ-CYBMUJFWSA-N 1 2 348.434 3.932 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000076604385 1027305192 /nfs/dbraw/zinc/30/51/92/1027305192.db2.gz ANPZRFGQICREQQ-CYBMUJFWSA-N 1 2 348.434 3.932 20 0 EHADLO CC[N@H+](Cc1ncc(Br)cc1Br)C1CC1 ZINC000273231491 1027324873 /nfs/dbraw/zinc/32/48/73/1027324873.db2.gz RKKNZVLCWLJKPQ-UHFFFAOYSA-N 1 2 334.055 3.591 20 0 EHADLO CC[N@@H+](Cc1ncc(Br)cc1Br)C1CC1 ZINC000273231491 1027324884 /nfs/dbraw/zinc/32/48/84/1027324884.db2.gz RKKNZVLCWLJKPQ-UHFFFAOYSA-N 1 2 334.055 3.591 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)c2ncnn21 ZINC000657568601 1027328632 /nfs/dbraw/zinc/32/86/32/1027328632.db2.gz HNNJACVUWJUDJP-MUWHJKNJSA-N 1 2 347.669 3.551 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)nc(C2CC2)[nH]1 ZINC000459292477 1027336892 /nfs/dbraw/zinc/33/68/92/1027336892.db2.gz DVOVURMXIFOALG-UHFFFAOYSA-N 1 2 331.366 3.502 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)nc(C2CC2)[nH]1 ZINC000459292477 1027336910 /nfs/dbraw/zinc/33/69/10/1027336910.db2.gz DVOVURMXIFOALG-UHFFFAOYSA-N 1 2 331.366 3.502 20 0 EHADLO Cc1nc2ccccc2nc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337220872 1027341237 /nfs/dbraw/zinc/34/12/37/1027341237.db2.gz KUBKBHFTPKGXMT-QGZVFWFLSA-N 1 2 345.805 3.554 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c2ncnn21 ZINC000657568423 1027347941 /nfs/dbraw/zinc/34/79/41/1027347941.db2.gz GGXVYDBGGCITOX-IINYFYTJSA-N 1 2 345.859 3.851 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)ccn1 ZINC000453121549 1027396381 /nfs/dbraw/zinc/39/63/81/1027396381.db2.gz XNNOBOQEKAKOML-YQQAZPJKSA-N 1 2 328.460 3.887 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ncc(-c2ccccc2)n1C ZINC000453140221 1027447799 /nfs/dbraw/zinc/44/77/99/1027447799.db2.gz IOAGOTAKBPIRQG-RDTXWAMCSA-N 1 2 339.414 3.610 20 0 EHADLO Clc1ccc(-c2ccc(C[NH+]3CC(n4ccnn4)C3)o2)cc1Cl ZINC000501685261 1027449636 /nfs/dbraw/zinc/44/96/36/1027449636.db2.gz CRIPPYNPMWAIKT-UHFFFAOYSA-N 1 2 349.221 3.902 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000128729158 1027473607 /nfs/dbraw/zinc/47/36/07/1027473607.db2.gz CTDKRYDYQGWXDH-MRXNPFEDSA-N 1 2 337.467 3.722 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(C)o1 ZINC000273554991 1027491170 /nfs/dbraw/zinc/49/11/70/1027491170.db2.gz YDLWIKRCUIRTID-GOSISDBHSA-N 1 2 338.407 3.657 20 0 EHADLO Cc1cnn(Cc2ccncc2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085440 1027522016 /nfs/dbraw/zinc/52/20/16/1027522016.db2.gz FPUUJWYJYWZRGE-UHFFFAOYSA-N 1 2 330.395 3.769 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255543325 1027549978 /nfs/dbraw/zinc/54/99/78/1027549978.db2.gz QELLDBXWLFZLMT-UPHRSURJSA-N 1 2 335.382 3.731 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)s1 ZINC000273687271 1027561465 /nfs/dbraw/zinc/56/14/65/1027561465.db2.gz LHPXGECWPWYWRC-NWDGAFQWSA-N 1 2 340.452 3.678 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)s1 ZINC000273687270 1027561530 /nfs/dbraw/zinc/56/15/30/1027561530.db2.gz LHPXGECWPWYWRC-NEPJUHHUSA-N 1 2 340.452 3.678 20 0 EHADLO CC[C@H]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCO1 ZINC000273756171 1027601314 /nfs/dbraw/zinc/60/13/14/1027601314.db2.gz NZADSORUDXYGFT-IRXDYDNUSA-N 1 2 338.411 3.654 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cc(C)[nH+]1 ZINC000422204644 1027636514 /nfs/dbraw/zinc/63/65/14/1027636514.db2.gz JETXCQWCHLKYEZ-HNNXBMFYSA-N 1 2 329.419 3.610 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)C1 ZINC000459329309 1027638238 /nfs/dbraw/zinc/63/82/38/1027638238.db2.gz RBCUJKLMLAEORS-YMAMQOFZSA-N 1 2 338.517 3.770 20 0 EHADLO CC(C)OC1CC([N@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)C1 ZINC000459329309 1027638246 /nfs/dbraw/zinc/63/82/46/1027638246.db2.gz RBCUJKLMLAEORS-YMAMQOFZSA-N 1 2 338.517 3.770 20 0 EHADLO C[C@@H]1CCN(c2nc(C3CCCCC3)ns2)C[C@@H]1n1cc[nH+]c1 ZINC000420604397 1027638855 /nfs/dbraw/zinc/63/88/55/1027638855.db2.gz SFBRNEZIFWVVMD-HIFRSBDPSA-N 1 2 331.489 3.870 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1F ZINC000130190702 1027643160 /nfs/dbraw/zinc/64/31/60/1027643160.db2.gz JCNWTRYBIVMBDG-CABCVRRESA-N 1 2 346.471 3.896 20 0 EHADLO C[C@H](Nc1cc[nH+]c2c(Br)cccc12)c1cnn(C)c1 ZINC000078306751 1027644738 /nfs/dbraw/zinc/64/47/38/1027644738.db2.gz SPWZBAZJFDLWRI-JTQLQIEISA-N 1 2 331.217 3.904 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420697127 1027687134 /nfs/dbraw/zinc/68/71/34/1027687134.db2.gz ILUBROZYGNQCRM-UHFFFAOYSA-N 1 2 337.467 3.863 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000303906676 1027689941 /nfs/dbraw/zinc/68/99/41/1027689941.db2.gz MCHVKAVHTPKADE-ZDUSSCGKSA-N 1 2 325.474 3.581 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000303906676 1027689950 /nfs/dbraw/zinc/68/99/50/1027689950.db2.gz MCHVKAVHTPKADE-ZDUSSCGKSA-N 1 2 325.474 3.581 20 0 EHADLO NC(=O)c1c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)sc2c1CCCC2 ZINC001213085532 1027699326 /nfs/dbraw/zinc/69/93/26/1027699326.db2.gz KFWAJELHCAMNJE-UHFFFAOYSA-N 1 2 338.436 3.860 20 0 EHADLO CC(C)COc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000130901218 1027713218 /nfs/dbraw/zinc/71/32/18/1027713218.db2.gz QHFITKZYWWSHSI-ZDUSSCGKSA-N 1 2 347.846 3.772 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000131180275 1027748449 /nfs/dbraw/zinc/74/84/49/1027748449.db2.gz BSTFZPKBFHQPTI-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO Cc1sc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)nc1C(C)C ZINC000420791929 1027752925 /nfs/dbraw/zinc/75/29/25/1027752925.db2.gz PEQYKFRWBNJUCN-UHFFFAOYSA-N 1 2 332.473 3.586 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CSC2 ZINC000657641639 1027759760 /nfs/dbraw/zinc/75/97/60/1027759760.db2.gz IGMJGSIZKKLPOR-CYBMUJFWSA-N 1 2 325.231 3.515 20 0 EHADLO Cc1cc(CNC(=O)NCC2(c3ccccc3Cl)CC2)cc(C)[nH+]1 ZINC000420814790 1027772588 /nfs/dbraw/zinc/77/25/88/1027772588.db2.gz IYPORAIRGGDVSI-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO Cc1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211900032 1027780824 /nfs/dbraw/zinc/78/08/24/1027780824.db2.gz XPWWASYIRXTWBX-UHFFFAOYSA-N 1 2 341.361 3.906 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420846431 1027789348 /nfs/dbraw/zinc/78/93/48/1027789348.db2.gz JBBCINQCNGISIG-UHFFFAOYSA-N 1 2 329.419 3.959 20 0 EHADLO Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000342873470 1027790068 /nfs/dbraw/zinc/79/00/68/1027790068.db2.gz JKJPSPZEZNYDPG-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000342873470 1027790089 /nfs/dbraw/zinc/79/00/89/1027790089.db2.gz JKJPSPZEZNYDPG-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414476715 1027828673 /nfs/dbraw/zinc/82/86/73/1027828673.db2.gz KPNLMYZJXCSXLX-ZDUSSCGKSA-N 1 2 348.281 3.731 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414476715 1027828694 /nfs/dbraw/zinc/82/86/94/1027828694.db2.gz KPNLMYZJXCSXLX-ZDUSSCGKSA-N 1 2 348.281 3.731 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](CC(F)F)c2ccccc2)cc(C)[nH+]1 ZINC000420858951 1027804411 /nfs/dbraw/zinc/80/44/11/1027804411.db2.gz KGMWYLMMDSAMBB-INIZCTEOSA-N 1 2 333.382 3.894 20 0 EHADLO C[C@H]1CN(c2ccccc2CNc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000459349013 1027821287 /nfs/dbraw/zinc/82/12/87/1027821287.db2.gz SXPTXBKLFVKMFQ-KRWDZBQOSA-N 1 2 348.450 3.710 20 0 EHADLO CCC1(CO)CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000305723994 1027873564 /nfs/dbraw/zinc/87/35/64/1027873564.db2.gz IYHOZVNGGVNIGR-LBPRGKRZSA-N 1 2 349.500 3.559 20 0 EHADLO CC[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000342884804 1027880374 /nfs/dbraw/zinc/88/03/74/1027880374.db2.gz QUCXAXBZKTZXCW-FQEVSTJZSA-N 1 2 349.434 3.691 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1OC(C)C ZINC000420934583 1027886981 /nfs/dbraw/zinc/88/69/81/1027886981.db2.gz JGESGSDJTUHEIZ-GFCCVEGCSA-N 1 2 337.851 3.720 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)C[C@@H](CC)O1 ZINC000420964941 1027936745 /nfs/dbraw/zinc/93/67/45/1027936745.db2.gz XOYHWEYQTZNODS-BZUAXINKSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503596647 1027939273 /nfs/dbraw/zinc/93/92/73/1027939273.db2.gz BMDJNBLKYQTZSH-QRVBRYPASA-N 1 2 347.499 3.734 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536619884 1027953229 /nfs/dbraw/zinc/95/32/29/1027953229.db2.gz PMESTAVNVGWFDQ-CZUORRHYSA-N 1 2 349.356 3.817 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132731952 1027959529 /nfs/dbraw/zinc/95/95/29/1027959529.db2.gz XSMWKFCVISPTQL-HNNXBMFYSA-N 1 2 343.496 3.525 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2cccs2)CCCCC1 ZINC000523160438 1027997892 /nfs/dbraw/zinc/99/78/92/1027997892.db2.gz GAVSANHWBGGPCW-UHFFFAOYSA-N 1 2 343.496 3.963 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378137 1028025306 /nfs/dbraw/zinc/02/53/06/1028025306.db2.gz JHMWSRLPRKEJBH-FRRDWIJNSA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378137 1028025322 /nfs/dbraw/zinc/02/53/22/1028025322.db2.gz JHMWSRLPRKEJBH-FRRDWIJNSA-N 1 2 327.494 3.519 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000353394358 1028048160 /nfs/dbraw/zinc/04/81/60/1028048160.db2.gz BYYDZRAVGHLRSJ-KRWDZBQOSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000152482128 1028073595 /nfs/dbraw/zinc/07/35/95/1028073595.db2.gz LSRNCSAPUIZMIV-KRWDZBQOSA-N 1 2 327.472 3.734 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]3Cc3ccccc3)no2)c(F)c1 ZINC000444622770 1028093991 /nfs/dbraw/zinc/09/39/91/1028093991.db2.gz WHDBSEIHEHWDOP-HNNXBMFYSA-N 1 2 341.361 3.832 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H]3Cc3ccccc3)no2)c(F)c1 ZINC000444622770 1028094011 /nfs/dbraw/zinc/09/40/11/1028094011.db2.gz WHDBSEIHEHWDOP-HNNXBMFYSA-N 1 2 341.361 3.832 20 0 EHADLO CCC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)c(F)c1F ZINC000078681137 1028106007 /nfs/dbraw/zinc/10/60/07/1028106007.db2.gz MROLSIBBWJBFJZ-UHFFFAOYSA-N 1 2 342.283 3.707 20 0 EHADLO CCC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(F)c(F)c1F ZINC000078681137 1028106014 /nfs/dbraw/zinc/10/60/14/1028106014.db2.gz MROLSIBBWJBFJZ-UHFFFAOYSA-N 1 2 342.283 3.707 20 0 EHADLO CC(C)COc1cccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422980866 1028108362 /nfs/dbraw/zinc/10/83/62/1028108362.db2.gz RKKVMZHEFSULAQ-KRWDZBQOSA-N 1 2 334.366 3.638 20 0 EHADLO c1nnc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1-c1ccccc1 ZINC000444647217 1028111642 /nfs/dbraw/zinc/11/16/42/1028111642.db2.gz GXCFMEJCRAISAS-HXUWFJFHSA-N 1 2 330.435 3.919 20 0 EHADLO c1nnc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1-c1ccccc1 ZINC000444647217 1028111647 /nfs/dbraw/zinc/11/16/47/1028111647.db2.gz GXCFMEJCRAISAS-HXUWFJFHSA-N 1 2 330.435 3.919 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)c1cscn1 ZINC000423015352 1028123592 /nfs/dbraw/zinc/12/35/92/1028123592.db2.gz KMSMSBJFVBZVEC-OAHLLOKOSA-N 1 2 333.482 3.816 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423020903 1028131412 /nfs/dbraw/zinc/13/14/12/1028131412.db2.gz DCPGGQBTUFTRHQ-KRWDZBQOSA-N 1 2 336.357 3.543 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669492 1028139689 /nfs/dbraw/zinc/13/96/89/1028139689.db2.gz DDWYQFRBPLYKPE-ZWKOTPCHSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669492 1028139698 /nfs/dbraw/zinc/13/96/98/1028139698.db2.gz DDWYQFRBPLYKPE-ZWKOTPCHSA-N 1 2 342.487 3.683 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423066342 1028158924 /nfs/dbraw/zinc/15/89/24/1028158924.db2.gz WPLLDTQQJLKEFP-KRWDZBQOSA-N 1 2 334.366 3.528 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333583271 1028167528 /nfs/dbraw/zinc/16/75/28/1028167528.db2.gz KLHNDCJBWGIVQU-FXAWDEMLSA-N 1 2 344.503 3.543 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000444734353 1028200297 /nfs/dbraw/zinc/20/02/97/1028200297.db2.gz NBUSDCJNLADBOX-CABCVRRESA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000444734353 1028200317 /nfs/dbraw/zinc/20/03/17/1028200317.db2.gz NBUSDCJNLADBOX-CABCVRRESA-N 1 2 346.421 3.971 20 0 EHADLO Clc1ccc(SCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000421223246 1028207371 /nfs/dbraw/zinc/20/73/71/1028207371.db2.gz IOGQKNJFAXIICA-UHFFFAOYSA-N 1 2 334.872 3.860 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000135642911 1028210634 /nfs/dbraw/zinc/21/06/34/1028210634.db2.gz QUJQOJNJIFZSNN-AWEZNQCLSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000135642911 1028210651 /nfs/dbraw/zinc/21/06/51/1028210651.db2.gz QUJQOJNJIFZSNN-AWEZNQCLSA-N 1 2 328.441 3.646 20 0 EHADLO COc1ccccc1CCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455480852 1028216537 /nfs/dbraw/zinc/21/65/37/1028216537.db2.gz OQPOWIMJUJRLLG-UHFFFAOYSA-N 1 2 327.428 3.722 20 0 EHADLO [NH3+][C@H](C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1cscn1 ZINC000423133136 1028217302 /nfs/dbraw/zinc/21/73/02/1028217302.db2.gz VNHLQTBWXIRHLB-KRWDZBQOSA-N 1 2 345.468 3.741 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccc(OCC3CC3)nc2)c(C)[nH+]1 ZINC000455492410 1028225963 /nfs/dbraw/zinc/22/59/63/1028225963.db2.gz ZTZHHSXCEYQNQG-UHFFFAOYSA-N 1 2 340.427 3.512 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](c2cccnc2)C(C)C)c(C)[nH+]1 ZINC000455495399 1028228622 /nfs/dbraw/zinc/22/86/22/1028228622.db2.gz OAUKQDRKMZXKRP-KRWDZBQOSA-N 1 2 326.444 3.963 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000054390048 1028230372 /nfs/dbraw/zinc/23/03/72/1028230372.db2.gz RINJHBFOABXMLX-UHFFFAOYSA-N 1 2 347.418 3.858 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000054390048 1028230388 /nfs/dbraw/zinc/23/03/88/1028230388.db2.gz RINJHBFOABXMLX-UHFFFAOYSA-N 1 2 347.418 3.858 20 0 EHADLO CCc1cc(OC)ccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000503930917 1028235177 /nfs/dbraw/zinc/23/51/77/1028235177.db2.gz ULWUSKPORVZYBG-UHFFFAOYSA-N 1 2 327.472 3.673 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000503930917 1028235191 /nfs/dbraw/zinc/23/51/91/1028235191.db2.gz ULWUSKPORVZYBG-UHFFFAOYSA-N 1 2 327.472 3.673 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000503930917 1028235206 /nfs/dbraw/zinc/23/52/06/1028235206.db2.gz ULWUSKPORVZYBG-UHFFFAOYSA-N 1 2 327.472 3.673 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000444748297 1028236027 /nfs/dbraw/zinc/23/60/27/1028236027.db2.gz PFLOMNFUAYQIMZ-ZDUSSCGKSA-N 1 2 339.277 3.756 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000444748297 1028236045 /nfs/dbraw/zinc/23/60/45/1028236045.db2.gz PFLOMNFUAYQIMZ-ZDUSSCGKSA-N 1 2 339.277 3.756 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(Cc2ccccc2)CCC1 ZINC000136322810 1028245929 /nfs/dbraw/zinc/24/59/29/1028245929.db2.gz ZMPQMRVTVMBENB-UHFFFAOYSA-N 1 2 345.446 3.902 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2CCN(c3ccccc3)CC2)c(C)[nH+]1 ZINC000455483691 1028249156 /nfs/dbraw/zinc/24/91/56/1028249156.db2.gz PZEJDJVPLUTODD-UHFFFAOYSA-N 1 2 338.455 3.797 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444770589 1028256402 /nfs/dbraw/zinc/25/64/02/1028256402.db2.gz CZCYRQKMTQQLNM-QMMMGPOBSA-N 1 2 344.230 3.741 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475612357 1028257888 /nfs/dbraw/zinc/25/78/88/1028257888.db2.gz OGWWTDSCQJKXCV-IEBWSBKVSA-N 1 2 344.499 3.556 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246353431 1028271305 /nfs/dbraw/zinc/27/13/05/1028271305.db2.gz FTXGVQABSKGNIS-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246353431 1028271328 /nfs/dbraw/zinc/27/13/28/1028271328.db2.gz FTXGVQABSKGNIS-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000342941292 1028277516 /nfs/dbraw/zinc/27/75/16/1028277516.db2.gz JEMWNWAIYRQOQQ-AWEZNQCLSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000342941292 1028277535 /nfs/dbraw/zinc/27/75/35/1028277535.db2.gz JEMWNWAIYRQOQQ-AWEZNQCLSA-N 1 2 338.860 3.596 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342941641 1028280265 /nfs/dbraw/zinc/28/02/65/1028280265.db2.gz JPOHEYKQYZCOEL-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342941641 1028280280 /nfs/dbraw/zinc/28/02/80/1028280280.db2.gz JPOHEYKQYZCOEL-UHFFFAOYSA-N 1 2 327.428 3.971 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)(C)C)co1 ZINC000894279729 1028302758 /nfs/dbraw/zinc/30/27/58/1028302758.db2.gz GWLOSFNJKCBSSS-CABCVRRESA-N 1 2 326.444 3.526 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)(C)C)co1 ZINC000894279729 1028302773 /nfs/dbraw/zinc/30/27/73/1028302773.db2.gz GWLOSFNJKCBSSS-CABCVRRESA-N 1 2 326.444 3.526 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137332390 1028310198 /nfs/dbraw/zinc/31/01/98/1028310198.db2.gz SKQZQJZWBLJFSR-HNNXBMFYSA-N 1 2 340.427 3.730 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682830 1028314191 /nfs/dbraw/zinc/31/41/91/1028314191.db2.gz NISDXDUHHAYBHT-DOTOQJQBSA-N 1 2 326.843 3.777 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682830 1028314209 /nfs/dbraw/zinc/31/42/09/1028314209.db2.gz NISDXDUHHAYBHT-DOTOQJQBSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(OC)cc1 ZINC000523419612 1028320267 /nfs/dbraw/zinc/32/02/67/1028320267.db2.gz MYAJXDWQFMKQMH-KRWDZBQOSA-N 1 2 338.411 3.924 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000523451469 1028322742 /nfs/dbraw/zinc/32/27/42/1028322742.db2.gz FLUZXNWQRMYZFC-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000523451469 1028322760 /nfs/dbraw/zinc/32/27/60/1028322760.db2.gz FLUZXNWQRMYZFC-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO Brc1csc(-c2noc(COc3cc[nH+]cc3)n2)c1 ZINC000431508164 1028330873 /nfs/dbraw/zinc/33/08/73/1028330873.db2.gz XGWSAYXRDAIENK-UHFFFAOYSA-N 1 2 338.186 3.535 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)nc2sccn21 ZINC000053272837 1028332533 /nfs/dbraw/zinc/33/25/33/1028332533.db2.gz XLPLJVSFELCKIM-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)nc2sccn21 ZINC000053272837 1028332543 /nfs/dbraw/zinc/33/25/43/1028332543.db2.gz XLPLJVSFELCKIM-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cn[nH]c3)co2)cc1F ZINC000639781889 1028338049 /nfs/dbraw/zinc/33/80/49/1028338049.db2.gz RAGOMHBUDWMZEV-MRXNPFEDSA-N 1 2 330.338 3.680 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cn[nH]c3)co2)cc1F ZINC000639781889 1028338065 /nfs/dbraw/zinc/33/80/65/1028338065.db2.gz RAGOMHBUDWMZEV-MRXNPFEDSA-N 1 2 330.338 3.680 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N1CCC(C)CC1 ZINC000067133042 1028356069 /nfs/dbraw/zinc/35/60/69/1028356069.db2.gz SFOBUFFXKJYTCF-QFBILLFUSA-N 1 2 326.440 3.606 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000057423189 1028364031 /nfs/dbraw/zinc/36/40/31/1028364031.db2.gz BRKWLBAKOGYKFN-SFHVURJKSA-N 1 2 326.444 3.504 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000582969033 1028394848 /nfs/dbraw/zinc/39/48/48/1028394848.db2.gz YYZXCYGJWPDCLT-QXAKKESOSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1nc(Nc2ccn(C(C)C)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001203157985 1028443438 /nfs/dbraw/zinc/44/34/38/1028443438.db2.gz CEDCLZMHBSOLSV-OKILXGFUSA-N 1 2 329.448 3.525 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccn(C(C)C)c2)[nH+]1 ZINC001203157985 1028443441 /nfs/dbraw/zinc/44/34/41/1028443441.db2.gz CEDCLZMHBSOLSV-OKILXGFUSA-N 1 2 329.448 3.525 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000426151014 1028469597 /nfs/dbraw/zinc/46/95/97/1028469597.db2.gz VUWAOKYAZOCDAF-CYBMUJFWSA-N 1 2 333.526 3.961 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2scnc2C2CC2)CC1 ZINC000426151014 1028469604 /nfs/dbraw/zinc/46/96/04/1028469604.db2.gz VUWAOKYAZOCDAF-CYBMUJFWSA-N 1 2 333.526 3.961 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC ZINC000193994952 1028485255 /nfs/dbraw/zinc/48/52/55/1028485255.db2.gz LSUMHXCPMGBYPW-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC ZINC000193994952 1028485262 /nfs/dbraw/zinc/48/52/62/1028485262.db2.gz LSUMHXCPMGBYPW-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000563538153 1028548807 /nfs/dbraw/zinc/54/88/07/1028548807.db2.gz RUJKJEUCNUWCJV-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(F)F ZINC000421557271 1028559285 /nfs/dbraw/zinc/55/92/85/1028559285.db2.gz MQSYRZXJBAEYQW-QGZVFWFLSA-N 1 2 331.366 3.870 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000421574846 1028568353 /nfs/dbraw/zinc/56/83/53/1028568353.db2.gz HVEDQOYEQGNFGH-KBPBESRZSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1cc(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc(C)[nH+]1 ZINC000421573529 1028568406 /nfs/dbraw/zinc/56/84/06/1028568406.db2.gz AZXQYGLCSCAFSN-GOSISDBHSA-N 1 2 326.440 3.871 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(OCC(F)(F)F)cc2)cc(C)[nH+]1 ZINC000421576712 1028570461 /nfs/dbraw/zinc/57/04/61/1028570461.db2.gz NAEKLFRWBWUGKC-UHFFFAOYSA-N 1 2 338.329 3.570 20 0 EHADLO Cc1cc(CNC(=O)c2ccccc2COC(C)(C)C)cc(C)[nH+]1 ZINC000421578808 1028571897 /nfs/dbraw/zinc/57/18/97/1028571897.db2.gz RZCKKMCHKQXRCW-UHFFFAOYSA-N 1 2 326.440 3.944 20 0 EHADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c2c(n1)onc2C(C)C ZINC000421577997 1028572189 /nfs/dbraw/zinc/57/21/89/1028572189.db2.gz QHUQHABUSLLLIQ-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO Cc1ccc(OCCN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000074042168 1028594117 /nfs/dbraw/zinc/59/41/17/1028594117.db2.gz QTKCZFBNXIXSKS-UHFFFAOYSA-N 1 2 349.434 3.640 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000074483043 1028619527 /nfs/dbraw/zinc/61/95/27/1028619527.db2.gz UFHHCOVPRIAZFK-INIZCTEOSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000247041800 1028732764 /nfs/dbraw/zinc/73/27/64/1028732764.db2.gz GQPDYBHZHXQGED-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO CC1(C)CCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454320657 1028734290 /nfs/dbraw/zinc/73/42/90/1028734290.db2.gz NEYLZUQKRQUNAX-SFHVURJKSA-N 1 2 340.471 3.557 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCCC[C@H]2CC)s1 ZINC000247086463 1028741852 /nfs/dbraw/zinc/74/18/52/1028741852.db2.gz XHDVXUDEOXFSNJ-HUUCEWRRSA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCCC[C@H]2CC)s1 ZINC000247086463 1028741871 /nfs/dbraw/zinc/74/18/71/1028741871.db2.gz XHDVXUDEOXFSNJ-HUUCEWRRSA-N 1 2 337.533 3.798 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000532725423 1028746850 /nfs/dbraw/zinc/74/68/50/1028746850.db2.gz VFWVKSXBSGBJAJ-CYBMUJFWSA-N 1 2 347.311 3.686 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000532725423 1028746866 /nfs/dbraw/zinc/74/68/66/1028746866.db2.gz VFWVKSXBSGBJAJ-CYBMUJFWSA-N 1 2 347.311 3.686 20 0 EHADLO CC[C@@H]1CCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454310679 1028752032 /nfs/dbraw/zinc/75/20/32/1028752032.db2.gz GNOWNFLFRNLLAP-MOPGFXCFSA-N 1 2 340.471 3.557 20 0 EHADLO OC[C@]1([NH2+]Cc2c(Cl)oc3ccccc32)CCOc2ccccc21 ZINC000282048690 1028760395 /nfs/dbraw/zinc/76/03/95/1028760395.db2.gz AYEFLXBYWAEBLU-LJQANCHMSA-N 1 2 343.810 3.846 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000247211152 1028760704 /nfs/dbraw/zinc/76/07/04/1028760704.db2.gz CJZDOYDELVDQMZ-WOSRLPQWSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000247211152 1028760720 /nfs/dbraw/zinc/76/07/20/1028760720.db2.gz CJZDOYDELVDQMZ-WOSRLPQWSA-N 1 2 333.407 3.889 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278071956 1028772128 /nfs/dbraw/zinc/77/21/28/1028772128.db2.gz VYXMXJQUKRKMQP-WBVHZDCISA-N 1 2 349.434 3.736 20 0 EHADLO CCCc1[nH]ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000421771316 1028780538 /nfs/dbraw/zinc/78/05/38/1028780538.db2.gz WTUZEXBQPOKVBP-UHFFFAOYSA-N 1 2 340.471 3.673 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454328008 1028780889 /nfs/dbraw/zinc/78/08/89/1028780889.db2.gz RCWGRAXTHMHWFG-IAGOWNOFSA-N 1 2 344.503 3.566 20 0 EHADLO CCC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000454328937 1028781777 /nfs/dbraw/zinc/78/17/77/1028781777.db2.gz RTGXHKDLALMYJT-MRXNPFEDSA-N 1 2 332.492 3.564 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245542974 1028793595 /nfs/dbraw/zinc/79/35/95/1028793595.db2.gz QLIMSELVZKAFBV-PBHICJAKSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245542974 1028793607 /nfs/dbraw/zinc/79/36/07/1028793607.db2.gz QLIMSELVZKAFBV-PBHICJAKSA-N 1 2 343.496 3.672 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000247666853 1028810015 /nfs/dbraw/zinc/81/00/15/1028810015.db2.gz QNCGNSDLYFKHFH-OCCSQVGLSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000247666853 1028810030 /nfs/dbraw/zinc/81/00/30/1028810030.db2.gz QNCGNSDLYFKHFH-OCCSQVGLSA-N 1 2 342.842 3.553 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000025414202 1028814491 /nfs/dbraw/zinc/81/44/91/1028814491.db2.gz KMUWMEBBBBRFOX-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000025414202 1028814508 /nfs/dbraw/zinc/81/45/08/1028814508.db2.gz KMUWMEBBBBRFOX-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccncc1Cl ZINC000421834357 1028823444 /nfs/dbraw/zinc/82/34/44/1028823444.db2.gz KLLCBXHFYUQIDS-SNVBAGLBSA-N 1 2 327.762 3.625 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000502901538 1028829764 /nfs/dbraw/zinc/82/97/64/1028829764.db2.gz ALQVHXMBSJYQEX-UHFFFAOYSA-N 1 2 331.362 3.698 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000502901538 1028829776 /nfs/dbraw/zinc/82/97/76/1028829776.db2.gz ALQVHXMBSJYQEX-UHFFFAOYSA-N 1 2 331.362 3.698 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@@H](c4cccs4)C3)c1)O[C@@H](C)C2 ZINC000245562692 1028847017 /nfs/dbraw/zinc/84/70/17/1028847017.db2.gz PBMLRHANYNOUKB-SUMWQHHRSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@@H](c4cccs4)C3)c1)O[C@@H](C)C2 ZINC000245562692 1028847034 /nfs/dbraw/zinc/84/70/34/1028847034.db2.gz PBMLRHANYNOUKB-SUMWQHHRSA-N 1 2 345.464 3.654 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(Cc2nnc3ccccn32)cc1 ZINC000424157965 1028858039 /nfs/dbraw/zinc/85/80/39/1028858039.db2.gz SCRLGPQMVVYDOR-UHFFFAOYSA-N 1 2 346.438 3.710 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153884902 1028867487 /nfs/dbraw/zinc/86/74/87/1028867487.db2.gz ICRWKNCVOVCTTR-ZHALLVOQSA-N 1 2 340.471 3.588 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3nc(C)ccc3c2)s1 ZINC000424205252 1028891585 /nfs/dbraw/zinc/89/15/85/1028891585.db2.gz UPFAXEWBDMXWLQ-LBPRGKRZSA-N 1 2 341.436 3.637 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000123395757 1028902380 /nfs/dbraw/zinc/90/23/80/1028902380.db2.gz VPUNJOCSTCRCME-CJNGLKHVSA-N 1 2 325.437 3.821 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccccc2F)nnn1-c1ccc(F)cc1 ZINC000153936548 1028932410 /nfs/dbraw/zinc/93/24/10/1028932410.db2.gz BXUFASJGMUJDLZ-LBPRGKRZSA-N 1 2 328.366 3.705 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1O ZINC000343069076 1028941639 /nfs/dbraw/zinc/94/16/39/1028941639.db2.gz BENXUWGQFPUZHE-AWEZNQCLSA-N 1 2 344.480 3.535 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)[nH]1 ZINC000583137161 1028952349 /nfs/dbraw/zinc/95/23/49/1028952349.db2.gz FEDNTPDKOMVFAK-OLZOCXBDSA-N 1 2 328.460 3.883 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)n1 ZINC000424311854 1028961352 /nfs/dbraw/zinc/96/13/52/1028961352.db2.gz VMZZDIQRGMVHHB-GXFFZTMASA-N 1 2 348.244 3.586 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2C)s1 ZINC000424337690 1028972799 /nfs/dbraw/zinc/97/27/99/1028972799.db2.gz ZTOHGEQUJHTIOE-RYUDHWBXSA-N 1 2 334.441 3.659 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000503051225 1028997301 /nfs/dbraw/zinc/99/73/01/1028997301.db2.gz WSPQDUFGHCGJAO-LJQANCHMSA-N 1 2 333.378 3.919 20 0 EHADLO COc1c(O)cccc1C[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000503051225 1028997312 /nfs/dbraw/zinc/99/73/12/1028997312.db2.gz WSPQDUFGHCGJAO-LJQANCHMSA-N 1 2 333.378 3.919 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000524250547 1029006829 /nfs/dbraw/zinc/00/68/29/1029006829.db2.gz IRCYJUCCDPYEFB-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000154114022 1029010664 /nfs/dbraw/zinc/01/06/64/1029010664.db2.gz OLYOLOHUSQIRKX-PBHICJAKSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000154114022 1029010674 /nfs/dbraw/zinc/01/06/74/1029010674.db2.gz OLYOLOHUSQIRKX-PBHICJAKSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(Cl)s1)C1CC1 ZINC000076606307 1029021308 /nfs/dbraw/zinc/02/13/08/1029021308.db2.gz WVHALQFJCHZSTP-LLVKDONJSA-N 1 2 326.893 3.623 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(Cl)s1)C1CC1 ZINC000076606307 1029021326 /nfs/dbraw/zinc/02/13/26/1029021326.db2.gz WVHALQFJCHZSTP-LLVKDONJSA-N 1 2 326.893 3.623 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC(C)(C)c2cccc(F)c2)c[nH+]1 ZINC000454542650 1029022310 /nfs/dbraw/zinc/02/23/10/1029022310.db2.gz WWCUREMZCDQSHT-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO c1cn(CCc2nc(-c3ccc(OCc4ccccc4)cc3)no2)c[nH+]1 ZINC000504866799 1029023881 /nfs/dbraw/zinc/02/38/81/1029023881.db2.gz FQPJFFGCZKRQRX-UHFFFAOYSA-N 1 2 346.390 3.755 20 0 EHADLO CC[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000503088947 1029043090 /nfs/dbraw/zinc/04/30/90/1029043090.db2.gz WHFZQBKUXGNAIR-UXLLHSPISA-N 1 2 346.496 3.875 20 0 EHADLO CC[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000503088947 1029043097 /nfs/dbraw/zinc/04/30/97/1029043097.db2.gz WHFZQBKUXGNAIR-UXLLHSPISA-N 1 2 346.496 3.875 20 0 EHADLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000393317625 1029052170 /nfs/dbraw/zinc/05/21/70/1029052170.db2.gz ZEYUJEDLRGVITN-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)CCCC2 ZINC000393321109 1029061616 /nfs/dbraw/zinc/06/16/16/1029061616.db2.gz ASPIVAJOTXGXEU-LBPRGKRZSA-N 1 2 348.288 3.912 20 0 EHADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCC(C)(C)CC1 ZINC000154271447 1029081498 /nfs/dbraw/zinc/08/14/98/1029081498.db2.gz GTKABQPCIZQVLA-UHFFFAOYSA-N 1 2 344.503 3.661 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000077679350 1029137101 /nfs/dbraw/zinc/13/71/01/1029137101.db2.gz OSPNSUFHSGKUBN-BRWVUGGUSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(C)C)cc2F)c[nH+]1 ZINC000454636762 1029151764 /nfs/dbraw/zinc/15/17/64/1029151764.db2.gz JPPQZEXDZAOCBZ-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO Fc1ccc(F)c2c1CCN(Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000445818988 1029159311 /nfs/dbraw/zinc/15/93/11/1029159311.db2.gz NDYRDTRLYYUMMH-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO COc1ccc2c(c1)N(Cc1c[nH+]cn1Cc1ccccc1)C[C@@H](C)O2 ZINC000445820080 1029159598 /nfs/dbraw/zinc/15/95/98/1029159598.db2.gz SUUMYUQBGBVMEK-MRXNPFEDSA-N 1 2 349.434 3.728 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000271779866 1029167722 /nfs/dbraw/zinc/16/77/22/1029167722.db2.gz OZPKWXJTZQBELG-SNVBAGLBSA-N 1 2 325.311 3.518 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000124386663 1029209947 /nfs/dbraw/zinc/20/99/47/1029209947.db2.gz HYHBLCYUFRSGGR-XJKSGUPXSA-N 1 2 331.485 3.929 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)c3nnc(CC)[nH]3)oc21 ZINC000271902833 1029222513 /nfs/dbraw/zinc/22/25/13/1029222513.db2.gz WBOAPGFNYMJPCX-NWDGAFQWSA-N 1 2 328.416 3.924 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054116 1029245747 /nfs/dbraw/zinc/24/57/47/1029245747.db2.gz YXODSELYDRCRMU-HOTGVXAUSA-N 1 2 339.483 3.706 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054116 1029245763 /nfs/dbraw/zinc/24/57/63/1029245763.db2.gz YXODSELYDRCRMU-HOTGVXAUSA-N 1 2 339.483 3.706 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000934827479 1029272049 /nfs/dbraw/zinc/27/20/49/1029272049.db2.gz WUDNPDWJEICQQD-UHFFFAOYSA-N 1 2 327.432 3.514 20 0 EHADLO CSCC[C@H]([NH2+]Cc1ccccc1Cl)c1nnc2ccccn21 ZINC000078302783 1029272678 /nfs/dbraw/zinc/27/26/78/1029272678.db2.gz WKBPRUFBDKUICJ-HNNXBMFYSA-N 1 2 346.887 3.967 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[C@H]1C ZINC000424704255 1029284411 /nfs/dbraw/zinc/28/44/11/1029284411.db2.gz WJYJPKJLVCJGDS-MJGOQNOKSA-N 1 2 343.515 3.973 20 0 EHADLO CC[C@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000533084758 1029295609 /nfs/dbraw/zinc/29/56/09/1029295609.db2.gz ZFULIMPAFBBKJZ-PKOBYXMFSA-N 1 2 340.471 3.683 20 0 EHADLO CCCN(C)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000078456340 1029319708 /nfs/dbraw/zinc/31/97/08/1029319708.db2.gz QFARVJQSUUPYBK-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO CCOCC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253556744 1029340482 /nfs/dbraw/zinc/34/04/82/1029340482.db2.gz XPGGHJXRKXQZAX-RYUDHWBXSA-N 1 2 349.500 3.551 20 0 EHADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253556744 1029340500 /nfs/dbraw/zinc/34/05/00/1029340500.db2.gz XPGGHJXRKXQZAX-RYUDHWBXSA-N 1 2 349.500 3.551 20 0 EHADLO CCOCC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253556743 1029340645 /nfs/dbraw/zinc/34/06/45/1029340645.db2.gz XPGGHJXRKXQZAX-NWDGAFQWSA-N 1 2 349.500 3.551 20 0 EHADLO CCOCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000253556743 1029340658 /nfs/dbraw/zinc/34/06/58/1029340658.db2.gz XPGGHJXRKXQZAX-NWDGAFQWSA-N 1 2 349.500 3.551 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000272191847 1029353722 /nfs/dbraw/zinc/35/37/22/1029353722.db2.gz FZFDYEWESCKSOV-HXUWFJFHSA-N 1 2 346.434 3.943 20 0 EHADLO CCn1cc([C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000272259610 1029384932 /nfs/dbraw/zinc/38/49/32/1029384932.db2.gz LQBQLDBPASSVCD-OAHLLOKOSA-N 1 2 333.439 3.991 20 0 EHADLO COc1cccc(CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1F ZINC000505236127 1029388837 /nfs/dbraw/zinc/38/88/37/1029388837.db2.gz UTAMMMXJERJDIL-UHFFFAOYSA-N 1 2 327.359 3.590 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)[NH+]1CCSCC1 ZINC000343136589 1029395849 /nfs/dbraw/zinc/39/58/49/1029395849.db2.gz LBUUYZGNITWXJW-ZDUSSCGKSA-N 1 2 340.448 3.962 20 0 EHADLO Cc1ccc(C)c([C@H]([NH2+]Cc2nnc3n2CCC3)c2ccccc2)c1 ZINC000272300342 1029403795 /nfs/dbraw/zinc/40/37/95/1029403795.db2.gz POBHIBMDHAVZJP-OAQYLSRUSA-N 1 2 332.451 3.720 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000505250054 1029404507 /nfs/dbraw/zinc/40/45/07/1029404507.db2.gz ZGCQITWWSTXXSD-VRKREXBASA-N 1 2 348.512 3.574 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000505250054 1029404517 /nfs/dbraw/zinc/40/45/17/1029404517.db2.gz ZGCQITWWSTXXSD-VRKREXBASA-N 1 2 348.512 3.574 20 0 EHADLO Cc1ccc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)cc1C ZINC001211571701 1029416261 /nfs/dbraw/zinc/41/62/61/1029416261.db2.gz YCIVHJRLDQUZFC-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)cc1C ZINC001211571701 1029416273 /nfs/dbraw/zinc/41/62/73/1029416273.db2.gz YCIVHJRLDQUZFC-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C)c1 ZINC000524701198 1029439316 /nfs/dbraw/zinc/43/93/16/1029439316.db2.gz SFUOGJACMWIZKL-KRWDZBQOSA-N 1 2 340.442 3.962 20 0 EHADLO COCC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(C)o1 ZINC000272376915 1029439494 /nfs/dbraw/zinc/43/94/94/1029439494.db2.gz YDEFKCLNHRJLDH-KRWDZBQOSA-N 1 2 325.412 3.846 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](CC(F)(F)F)C(C)C)ccc2[nH+]1 ZINC000446157022 1029455763 /nfs/dbraw/zinc/45/57/63/1029455763.db2.gz PBRFNLWZLBAXLA-GFCCVEGCSA-N 1 2 328.338 3.741 20 0 EHADLO Cc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278170345 1029468498 /nfs/dbraw/zinc/46/84/98/1029468498.db2.gz USZGGSFWFWBFTL-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278170345 1029468503 /nfs/dbraw/zinc/46/85/03/1029468503.db2.gz USZGGSFWFWBFTL-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO FC(F)(F)c1ccc2nnc(C[NH2+][C@@H]3CCCc4occc43)n2c1 ZINC000278170820 1029473357 /nfs/dbraw/zinc/47/33/57/1029473357.db2.gz CIWJSAMBSJTXNI-GFCCVEGCSA-N 1 2 336.317 3.508 20 0 EHADLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)Cc1cccc(N)c1 ZINC000261622076 1029478592 /nfs/dbraw/zinc/47/85/92/1029478592.db2.gz CHAXKAHGBGKTDI-UHFFFAOYSA-N 1 2 340.427 3.681 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454945258 1029483992 /nfs/dbraw/zinc/48/39/92/1029483992.db2.gz DAMDUPVDWLXJNN-UHFFFAOYSA-N 1 2 331.391 3.948 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)cc1 ZINC000583276843 1029508968 /nfs/dbraw/zinc/50/89/68/1029508968.db2.gz ULWMZCOBOZEQRI-HNNXBMFYSA-N 1 2 333.844 3.703 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)cc1 ZINC000583276843 1029508976 /nfs/dbraw/zinc/50/89/76/1029508976.db2.gz ULWMZCOBOZEQRI-HNNXBMFYSA-N 1 2 333.844 3.703 20 0 EHADLO Cc1cnn(-c2ccc(C)cc2NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454999924 1029540762 /nfs/dbraw/zinc/54/07/62/1029540762.db2.gz MIWJMOSBSRXNOX-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1C ZINC000272659918 1029554914 /nfs/dbraw/zinc/55/49/14/1029554914.db2.gz SHTZVBPDPBVFIR-HNNXBMFYSA-N 1 2 335.835 3.789 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1C ZINC000272659918 1029554920 /nfs/dbraw/zinc/55/49/20/1029554920.db2.gz SHTZVBPDPBVFIR-HNNXBMFYSA-N 1 2 335.835 3.789 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000272663557 1029556592 /nfs/dbraw/zinc/55/65/92/1029556592.db2.gz IKCKDBYYQISBQC-HNNXBMFYSA-N 1 2 348.450 3.751 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc4ccccn34)[C@@H](C)CO2)c1 ZINC000533290559 1029584230 /nfs/dbraw/zinc/58/42/30/1029584230.db2.gz DHOVIXKUABOBHR-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc4ccccn34)[C@@H](C)CO2)c1 ZINC000533290559 1029584235 /nfs/dbraw/zinc/58/42/35/1029584235.db2.gz DHOVIXKUABOBHR-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246044198 1029597284 /nfs/dbraw/zinc/59/72/84/1029597284.db2.gz ANWQQKWTTVGDCH-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246044198 1029597293 /nfs/dbraw/zinc/59/72/93/1029597293.db2.gz ANWQQKWTTVGDCH-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO Clc1ncc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000079320001 1029608111 /nfs/dbraw/zinc/60/81/11/1029608111.db2.gz YSLZNFOLQSYOPE-ZDUSSCGKSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000079320001 1029608113 /nfs/dbraw/zinc/60/81/13/1029608113.db2.gz YSLZNFOLQSYOPE-ZDUSSCGKSA-N 1 2 336.844 3.905 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666817464 1029611904 /nfs/dbraw/zinc/61/19/04/1029611904.db2.gz PPHKDXXDVZFIFH-DZGCQCFKSA-N 1 2 343.858 3.851 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cc2n(n1)CCCC2 ZINC000647285470 1029614392 /nfs/dbraw/zinc/61/43/92/1029614392.db2.gz DSDVDOLTNZIBLR-SUMWQHHRSA-N 1 2 329.419 3.923 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(N2CCCC2)c1 ZINC001625981952 1029615211 /nfs/dbraw/zinc/61/52/11/1029615211.db2.gz UHVAVQBWEDQZNO-UHFFFAOYSA-N 1 2 332.407 3.929 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000455102169 1029626185 /nfs/dbraw/zinc/62/61/85/1029626185.db2.gz ZADVEUYPICBNJO-INIZCTEOSA-N 1 2 334.508 3.693 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[C@H](C)C1 ZINC000524968922 1029639695 /nfs/dbraw/zinc/63/96/95/1029639695.db2.gz FOGBBVUWMHSSNQ-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cs1 ZINC000524971590 1029641918 /nfs/dbraw/zinc/64/19/18/1029641918.db2.gz REIIWNROVQQLOO-LSDHHAIUSA-N 1 2 334.485 3.624 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cs1 ZINC000524971590 1029641933 /nfs/dbraw/zinc/64/19/33/1029641933.db2.gz REIIWNROVQQLOO-LSDHHAIUSA-N 1 2 334.485 3.624 20 0 EHADLO COc1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC000343193200 1029690373 /nfs/dbraw/zinc/69/03/73/1029690373.db2.gz SWFMFEHZLZNYOU-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000525120646 1029693361 /nfs/dbraw/zinc/69/33/61/1029693361.db2.gz LNBPBGRZUMNDEF-UHFFFAOYSA-N 1 2 338.238 3.529 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000525120646 1029693364 /nfs/dbraw/zinc/69/33/64/1029693364.db2.gz LNBPBGRZUMNDEF-UHFFFAOYSA-N 1 2 338.238 3.529 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000114724834 1029714814 /nfs/dbraw/zinc/71/48/14/1029714814.db2.gz SKZMNHMNQKFZTP-HXUWFJFHSA-N 1 2 338.451 3.537 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000114724834 1029714821 /nfs/dbraw/zinc/71/48/21/1029714821.db2.gz SKZMNHMNQKFZTP-HXUWFJFHSA-N 1 2 338.451 3.537 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(OC4CCCC4)cc3)ccn12 ZINC001272165629 1029715886 /nfs/dbraw/zinc/71/58/86/1029715886.db2.gz QXHZXBMVAQIZDY-UHFFFAOYSA-N 1 2 349.434 3.894 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2cccc(C)n2)CCN1Cc1cccc(C)n1 ZINC000347392173 1029724359 /nfs/dbraw/zinc/72/43/59/1029724359.db2.gz QSOSGOGWULAHNA-NRFANRHFSA-N 1 2 338.499 3.580 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2cccc(C)n2)CCN1Cc1cccc(C)n1 ZINC000347392173 1029724367 /nfs/dbraw/zinc/72/43/67/1029724367.db2.gz QSOSGOGWULAHNA-NRFANRHFSA-N 1 2 338.499 3.580 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000079851958 1029731639 /nfs/dbraw/zinc/73/16/39/1029731639.db2.gz KSNYGGKBPJGPNW-AOMKIAJQSA-N 1 2 349.478 3.550 20 0 EHADLO CCCn1ccc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc21 ZINC000525231140 1029753689 /nfs/dbraw/zinc/75/36/89/1029753689.db2.gz PQBNQIJNFQBEBL-UHFFFAOYSA-N 1 2 339.443 3.850 20 0 EHADLO OC[C@@]1(CNc2cc(C(F)(F)F)cc[nH+]2)C[C@H]1c1ccc(F)cc1 ZINC000343218512 1029788517 /nfs/dbraw/zinc/78/85/17/1029788517.db2.gz SZOWOGABUBFOED-HOCLYGCPSA-N 1 2 340.320 3.818 20 0 EHADLO OC[C@@]1(CNc2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1c1ccc(F)cc1 ZINC000343218513 1029788739 /nfs/dbraw/zinc/78/87/39/1029788739.db2.gz SZOWOGABUBFOED-ZBFHGGJFSA-N 1 2 340.320 3.818 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@]1(CC)C(C)C ZINC000455636277 1029789099 /nfs/dbraw/zinc/78/90/99/1029789099.db2.gz XVVKIIVIOWDLRS-QFBILLFUSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc(C(F)(F)F)c1 ZINC001211580114 1029799943 /nfs/dbraw/zinc/79/99/43/1029799943.db2.gz MUGCJZDHQNXUGH-LLVKDONJSA-N 1 2 347.287 3.776 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000156437863 1029836777 /nfs/dbraw/zinc/83/67/77/1029836777.db2.gz DHLCTQCRDGXKGW-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1OCc1ccccc1 ZINC000446897858 1029845129 /nfs/dbraw/zinc/84/51/29/1029845129.db2.gz GFIILKFMRNAJRK-QGZVFWFLSA-N 1 2 341.451 3.885 20 0 EHADLO CCOc1cc(C[N@H+]2CCOC[C@H]2C)ccc1OCc1ccccc1 ZINC000446897858 1029845135 /nfs/dbraw/zinc/84/51/35/1029845135.db2.gz GFIILKFMRNAJRK-QGZVFWFLSA-N 1 2 341.451 3.885 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@](C)(c4ccccc4)C3)ccc2[nH+]1 ZINC000446916408 1029853175 /nfs/dbraw/zinc/85/31/75/1029853175.db2.gz MCXUYDQAICPMTE-HXUWFJFHSA-N 1 2 334.423 3.838 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035894 1029860355 /nfs/dbraw/zinc/86/03/55/1029860355.db2.gz PGZJEKQJUSXNBC-KBPBESRZSA-N 1 2 340.389 3.755 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035894 1029860360 /nfs/dbraw/zinc/86/03/60/1029860360.db2.gz PGZJEKQJUSXNBC-KBPBESRZSA-N 1 2 340.389 3.755 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCc3ccccc3[C@H]2CO)o1 ZINC000533818334 1029866331 /nfs/dbraw/zinc/86/63/31/1029866331.db2.gz KASMVXNWCSGQKD-LJQANCHMSA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCc3ccccc3[C@H]2CO)o1 ZINC000533818334 1029866333 /nfs/dbraw/zinc/86/63/33/1029866333.db2.gz KASMVXNWCSGQKD-LJQANCHMSA-N 1 2 334.419 3.742 20 0 EHADLO CC(C)[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000446949158 1029869753 /nfs/dbraw/zinc/86/97/53/1029869753.db2.gz TUQFMIZVTIANQV-AWEZNQCLSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127402484 1029877570 /nfs/dbraw/zinc/87/75/70/1029877570.db2.gz FNOFPYCSGMORRN-CZUORRHYSA-N 1 2 332.835 3.960 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465519 1029892193 /nfs/dbraw/zinc/89/21/93/1029892193.db2.gz UXTATTWEASXQCY-WFASDCNBSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465519 1029892200 /nfs/dbraw/zinc/89/22/00/1029892200.db2.gz UXTATTWEASXQCY-WFASDCNBSA-N 1 2 327.877 3.508 20 0 EHADLO CC[N@H+](Cc1ncnn1CCF)C(c1ccccc1)c1ccccc1 ZINC000555927261 1029928788 /nfs/dbraw/zinc/92/87/88/1029928788.db2.gz DUCQEXOLHRHIJA-UHFFFAOYSA-N 1 2 338.430 3.859 20 0 EHADLO CC[N@@H+](Cc1ncnn1CCF)C(c1ccccc1)c1ccccc1 ZINC000555927261 1029928803 /nfs/dbraw/zinc/92/88/03/1029928803.db2.gz DUCQEXOLHRHIJA-UHFFFAOYSA-N 1 2 338.430 3.859 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000455782906 1029930791 /nfs/dbraw/zinc/93/07/91/1029930791.db2.gz BJCWWENJCKUCBV-UHFFFAOYSA-N 1 2 348.397 3.695 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccc(C)cc3Cl)CC2)cs1 ZINC000447115959 1029933023 /nfs/dbraw/zinc/93/30/23/1029933023.db2.gz IUSFHGSLYVMUKP-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871179 1029950917 /nfs/dbraw/zinc/95/09/17/1029950917.db2.gz XCVLGIJXNJYUTG-UONOGXRCSA-N 1 2 337.464 3.698 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871179 1029950937 /nfs/dbraw/zinc/95/09/37/1029950937.db2.gz XCVLGIJXNJYUTG-UONOGXRCSA-N 1 2 337.464 3.698 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000120321507 1029962766 /nfs/dbraw/zinc/96/27/66/1029962766.db2.gz RHVVXOBJMGEFMM-ROUUACIJSA-N 1 2 345.874 3.884 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000120321507 1029962782 /nfs/dbraw/zinc/96/27/82/1029962782.db2.gz RHVVXOBJMGEFMM-ROUUACIJSA-N 1 2 345.874 3.884 20 0 EHADLO Cc1ccc(C2(C[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CC2)c(C)c1 ZINC000453242791 1029969927 /nfs/dbraw/zinc/96/99/27/1029969927.db2.gz FVNPPYFHNTZNAL-LJQANCHMSA-N 1 2 332.451 3.832 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)cs1 ZINC000453258770 1029990780 /nfs/dbraw/zinc/99/07/80/1029990780.db2.gz UAPYNBFQLIXBLG-CYBMUJFWSA-N 1 2 342.468 3.541 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058448524 1029999307 /nfs/dbraw/zinc/99/93/07/1029999307.db2.gz CJTJNSTYSPMLHY-UHFFFAOYSA-N 1 2 339.370 3.722 20 0 EHADLO Cc1ccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000508589283 1030019583 /nfs/dbraw/zinc/01/95/83/1030019583.db2.gz RHVNSRWTLMXDMY-UHFFFAOYSA-N 1 2 331.463 3.993 20 0 EHADLO Cc1ccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000508589283 1030019599 /nfs/dbraw/zinc/01/95/99/1030019599.db2.gz RHVNSRWTLMXDMY-UHFFFAOYSA-N 1 2 331.463 3.993 20 0 EHADLO Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Cl)c1 ZINC000447258019 1030049605 /nfs/dbraw/zinc/04/96/05/1030049605.db2.gz QZJVUNIJIUSGJU-UHFFFAOYSA-N 1 2 330.863 3.571 20 0 EHADLO O=C(CCc1ccc(F)cc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000120656161 1030058335 /nfs/dbraw/zinc/05/83/35/1030058335.db2.gz RBIVMKJJAHVZQD-UHFFFAOYSA-N 1 2 327.334 3.926 20 0 EHADLO O=C(C[C@@H]1C=CCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343279079 1030068622 /nfs/dbraw/zinc/06/86/22/1030068622.db2.gz IQFPJNCJDZJDJA-MRXNPFEDSA-N 1 2 349.438 3.618 20 0 EHADLO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453303075 1030069426 /nfs/dbraw/zinc/06/94/26/1030069426.db2.gz BELPSGIMEXDNDP-HNNXBMFYSA-N 1 2 348.288 3.967 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H]2CC(C)(C)c3ccccc32)n1 ZINC000453306933 1030077911 /nfs/dbraw/zinc/07/79/11/1030077911.db2.gz KNCUMPRDISPDLT-AWEZNQCLSA-N 1 2 334.261 3.695 20 0 EHADLO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000453320518 1030096745 /nfs/dbraw/zinc/09/67/45/1030096745.db2.gz MHMFQVANAVELEL-ZDUSSCGKSA-N 1 2 329.778 3.916 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@H](c3ccc(C)cc3)CC2=O)s1 ZINC000783979657 1030111767 /nfs/dbraw/zinc/11/17/67/1030111767.db2.gz RCEFTNAPCYQLCB-QGZVFWFLSA-N 1 2 328.481 3.770 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@H](c3ccc(C)cc3)CC2=O)s1 ZINC000783979657 1030111775 /nfs/dbraw/zinc/11/17/75/1030111775.db2.gz RCEFTNAPCYQLCB-QGZVFWFLSA-N 1 2 328.481 3.770 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000525782967 1030117633 /nfs/dbraw/zinc/11/76/33/1030117633.db2.gz LIZKWDOWRZCCAF-OAHLLOKOSA-N 1 2 340.492 3.863 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000525782967 1030117639 /nfs/dbraw/zinc/11/76/39/1030117639.db2.gz LIZKWDOWRZCCAF-OAHLLOKOSA-N 1 2 340.492 3.863 20 0 EHADLO CC(C)N(C(=O)COc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000156916283 1030132224 /nfs/dbraw/zinc/13/22/24/1030132224.db2.gz COIMQSNZPZNKOK-UHFFFAOYSA-N 1 2 335.407 3.693 20 0 EHADLO CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090512231 1030132991 /nfs/dbraw/zinc/13/29/91/1030132991.db2.gz AXCOXVQWCODWJT-INIZCTEOSA-N 1 2 348.468 3.510 20 0 EHADLO CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090512231 1030133003 /nfs/dbraw/zinc/13/30/03/1030133003.db2.gz AXCOXVQWCODWJT-INIZCTEOSA-N 1 2 348.468 3.510 20 0 EHADLO COc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2Cl)c(OC)c1 ZINC000447341056 1030140254 /nfs/dbraw/zinc/14/02/54/1030140254.db2.gz CSMRCBXVHIMIDI-UHFFFAOYSA-N 1 2 349.858 3.660 20 0 EHADLO COc1ccc(C[N@@H+](CCO)Cc2ccc(C)cc2Cl)c(OC)c1 ZINC000447341056 1030140259 /nfs/dbraw/zinc/14/02/59/1030140259.db2.gz CSMRCBXVHIMIDI-UHFFFAOYSA-N 1 2 349.858 3.660 20 0 EHADLO C[C@@H]1CN(c2ccc(NC3CCC(F)(F)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000647298930 1030157371 /nfs/dbraw/zinc/15/73/71/1030157371.db2.gz BUOMYXNHXXLPGW-CHWSQXEVSA-N 1 2 325.403 3.685 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)o1 ZINC000447394273 1030164900 /nfs/dbraw/zinc/16/49/00/1030164900.db2.gz PXMKHJDMWKXCJP-GOEBONIOSA-N 1 2 336.439 3.803 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)o1 ZINC000447394273 1030164906 /nfs/dbraw/zinc/16/49/06/1030164906.db2.gz PXMKHJDMWKXCJP-GOEBONIOSA-N 1 2 336.439 3.803 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(OC(F)F)cc1 ZINC000531969315 1030176624 /nfs/dbraw/zinc/17/66/24/1030176624.db2.gz AEOQWZJZZSXUIU-QMMMGPOBSA-N 1 2 346.175 3.624 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C[C@@H]1n1cc[nH+]c1 ZINC000128480992 1030190979 /nfs/dbraw/zinc/19/09/79/1030190979.db2.gz FDNLXHFNPGUDJK-KGLIPLIRSA-N 1 2 331.485 3.965 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000482071013 1030197251 /nfs/dbraw/zinc/19/72/51/1030197251.db2.gz YGTUHCBCVQCHCE-HNNXBMFYSA-N 1 2 329.271 3.527 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000482071013 1030197254 /nfs/dbraw/zinc/19/72/54/1030197254.db2.gz YGTUHCBCVQCHCE-HNNXBMFYSA-N 1 2 329.271 3.527 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)s1 ZINC000525869995 1030207751 /nfs/dbraw/zinc/20/77/51/1030207751.db2.gz IQZQULJYEYQLRS-UHFFFAOYSA-N 1 2 333.486 3.577 20 0 EHADLO CC[C@@H]([NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)NC ZINC000453392716 1030239962 /nfs/dbraw/zinc/23/99/62/1030239962.db2.gz DZMPAEKEQWYBDM-SJORKVTESA-N 1 2 334.822 3.683 20 0 EHADLO CCOc1ncccc1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091283850 1030248711 /nfs/dbraw/zinc/24/87/11/1030248711.db2.gz OYGWYQUIDCDKFH-LBPRGKRZSA-N 1 2 344.846 3.871 20 0 EHADLO COc1sc(C[NH2+][C@@H](C)c2nccs2)cc1Br ZINC000121332193 1030259890 /nfs/dbraw/zinc/25/98/90/1030259890.db2.gz QJZWWEQVHKWUIB-ZETCQYMHSA-N 1 2 333.276 3.827 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000476572485 1030263085 /nfs/dbraw/zinc/26/30/85/1030263085.db2.gz LCVQKUAYOKTVAO-RHSMWYFYSA-N 1 2 342.405 3.726 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000476572485 1030263103 /nfs/dbraw/zinc/26/31/03/1030263103.db2.gz LCVQKUAYOKTVAO-RHSMWYFYSA-N 1 2 342.405 3.726 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000583638800 1030340329 /nfs/dbraw/zinc/34/03/29/1030340329.db2.gz KCYAPMOVYFTWBO-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000583638800 1030340345 /nfs/dbraw/zinc/34/03/45/1030340345.db2.gz KCYAPMOVYFTWBO-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1cnc(C3CCC3)s1)C2 ZINC000453596910 1030356532 /nfs/dbraw/zinc/35/65/32/1030356532.db2.gz LCWZEWQXACYGLZ-UHFFFAOYSA-N 1 2 342.464 3.756 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cnc(C3CCC3)s1)C2 ZINC000453596910 1030356539 /nfs/dbraw/zinc/35/65/39/1030356539.db2.gz LCWZEWQXACYGLZ-UHFFFAOYSA-N 1 2 342.464 3.756 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000482436080 1030416706 /nfs/dbraw/zinc/41/67/06/1030416706.db2.gz BXYZTGPNLOPDEB-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000482436080 1030416709 /nfs/dbraw/zinc/41/67/09/1030416709.db2.gz BXYZTGPNLOPDEB-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)o1 ZINC000092452171 1030456714 /nfs/dbraw/zinc/45/67/14/1030456714.db2.gz DKSYAXVRAHDFAX-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)o1 ZINC000092452171 1030456723 /nfs/dbraw/zinc/45/67/23/1030456723.db2.gz DKSYAXVRAHDFAX-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1(C(F)F)CC1 ZINC000548805576 1030459200 /nfs/dbraw/zinc/45/92/00/1030459200.db2.gz KTZVEWSHRKOHFO-VIFPVBQESA-N 1 2 336.304 3.810 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)nnn1-c1ccccc1 ZINC000532229323 1030493020 /nfs/dbraw/zinc/49/30/20/1030493020.db2.gz NZTVRECLKRZIAF-LSDHHAIUSA-N 1 2 338.459 3.765 20 0 EHADLO Cc1ccccc1NC(=S)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052525732 1030509572 /nfs/dbraw/zinc/50/95/72/1030509572.db2.gz IBLQNBAAJPMEJF-UHFFFAOYSA-N 1 2 331.510 3.571 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c[nH]cc1-c1ccccc1 ZINC000343364090 1030511418 /nfs/dbraw/zinc/51/14/18/1030511418.db2.gz CVZDYXFRPKJLKK-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343362382 1030516095 /nfs/dbraw/zinc/51/60/95/1030516095.db2.gz SVFWTXRJCMLDEE-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO COC(=O)c1sccc1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000532290679 1030525571 /nfs/dbraw/zinc/52/55/71/1030525571.db2.gz YBTLYJHTDGLNLT-UHFFFAOYSA-N 1 2 345.464 3.887 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000093226676 1030573681 /nfs/dbraw/zinc/57/36/81/1030573681.db2.gz CHFQWBRIPVVTGT-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000093226676 1030573691 /nfs/dbraw/zinc/57/36/91/1030573691.db2.gz CHFQWBRIPVVTGT-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093383840 1030594407 /nfs/dbraw/zinc/59/44/07/1030594407.db2.gz IKXCYCFLSGOOET-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093383840 1030594418 /nfs/dbraw/zinc/59/44/18/1030594418.db2.gz IKXCYCFLSGOOET-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)ccc1Cl ZINC000343380890 1030606873 /nfs/dbraw/zinc/60/68/73/1030606873.db2.gz YZQWBHLZNBWLAP-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000093455442 1030612618 /nfs/dbraw/zinc/61/26/18/1030612618.db2.gz AGWQLVXPIYGPQY-LJQANCHMSA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000093455442 1030612621 /nfs/dbraw/zinc/61/26/21/1030612621.db2.gz AGWQLVXPIYGPQY-LJQANCHMSA-N 1 2 336.460 3.902 20 0 EHADLO CCCCCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000122496622 1030656412 /nfs/dbraw/zinc/65/64/12/1030656412.db2.gz VKFWUBHFUDZRCO-AWEZNQCLSA-N 1 2 339.505 3.520 20 0 EHADLO CCCCCOCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000122496622 1030656419 /nfs/dbraw/zinc/65/64/19/1030656419.db2.gz VKFWUBHFUDZRCO-AWEZNQCLSA-N 1 2 339.505 3.520 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(F)cc1 ZINC000482724180 1030674097 /nfs/dbraw/zinc/67/40/97/1030674097.db2.gz LBBUTFVYVZGMBI-MRXNPFEDSA-N 1 2 347.821 3.843 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](CC(=O)c3ccccc3F)C2)cc1F ZINC000639897442 1030675154 /nfs/dbraw/zinc/67/51/54/1030675154.db2.gz OLFWETJAWQOYFQ-AWEZNQCLSA-N 1 2 331.362 3.646 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](CC(=O)c3ccccc3F)C2)cc1F ZINC000639897442 1030675165 /nfs/dbraw/zinc/67/51/65/1030675165.db2.gz OLFWETJAWQOYFQ-AWEZNQCLSA-N 1 2 331.362 3.646 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2F)s1 ZINC000093807603 1030677101 /nfs/dbraw/zinc/67/71/01/1030677101.db2.gz XDZORCUTQIIUHX-UHFFFAOYSA-N 1 2 330.432 3.867 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)s1 ZINC000093807603 1030677113 /nfs/dbraw/zinc/67/71/13/1030677113.db2.gz XDZORCUTQIIUHX-UHFFFAOYSA-N 1 2 330.432 3.867 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865546 1030687003 /nfs/dbraw/zinc/68/70/03/1030687003.db2.gz NXQPBODABSISQF-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865546 1030687008 /nfs/dbraw/zinc/68/70/08/1030687008.db2.gz NXQPBODABSISQF-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171009347 1030712259 /nfs/dbraw/zinc/71/22/59/1030712259.db2.gz BLQPNYWIGBENOE-PMACEKPBSA-N 1 2 347.418 3.522 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3cc(C)[nH+]cc3C)C2)c1 ZINC000548810212 1030724109 /nfs/dbraw/zinc/72/41/09/1030724109.db2.gz QHGOKJSLIMGXGQ-IBGZPJMESA-N 1 2 345.393 3.670 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1c3ccccc3C[C@H]1C)C2 ZINC000527245126 1030733583 /nfs/dbraw/zinc/73/35/83/1030733583.db2.gz IUFSUANDCUWALD-MUKKUYKPSA-N 1 2 337.467 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1c3ccccc3C[C@H]1C)CC2 ZINC000527245126 1030733598 /nfs/dbraw/zinc/73/35/98/1030733598.db2.gz IUFSUANDCUWALD-MUKKUYKPSA-N 1 2 337.467 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C(C)(C)C)C(F)(F)F)C2 ZINC000527247614 1030736992 /nfs/dbraw/zinc/73/69/92/1030736992.db2.gz ILHHROHCQCVUQG-ZUZCIYMTSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC2 ZINC000527247614 1030737008 /nfs/dbraw/zinc/73/70/08/1030737008.db2.gz ILHHROHCQCVUQG-ZUZCIYMTSA-N 1 2 345.409 3.731 20 0 EHADLO C[C@@H](CC(=O)Nc1nc2c(ccc3c2CCCC3)s1)n1cc[nH+]c1 ZINC000568096327 1030765397 /nfs/dbraw/zinc/76/53/97/1030765397.db2.gz XFTSKUKCMNTWTP-LBPRGKRZSA-N 1 2 340.452 3.961 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000668155515 1030791832 /nfs/dbraw/zinc/79/18/32/1030791832.db2.gz RJAXTJVPNXMBTM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000668155515 1030791845 /nfs/dbraw/zinc/79/18/45/1030791845.db2.gz RJAXTJVPNXMBTM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324228 1030794348 /nfs/dbraw/zinc/79/43/48/1030794348.db2.gz YZXJIOYRPJIIDM-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324228 1030794360 /nfs/dbraw/zinc/79/43/60/1030794360.db2.gz YZXJIOYRPJIIDM-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2ccn(-c3ccccc3F)n2)c1 ZINC000527325994 1030795603 /nfs/dbraw/zinc/79/56/03/1030795603.db2.gz KSKGYOWIUYGLJI-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2ccn(-c3ccccc3F)n2)c1 ZINC000527325994 1030795616 /nfs/dbraw/zinc/79/56/16/1030795616.db2.gz KSKGYOWIUYGLJI-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H]2c2ccccc2)c1Br ZINC000448215180 1030802293 /nfs/dbraw/zinc/80/22/93/1030802293.db2.gz WPYGGCBNCSDESB-AWEZNQCLSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1Br ZINC000448215180 1030802300 /nfs/dbraw/zinc/80/23/00/1030802300.db2.gz WPYGGCBNCSDESB-AWEZNQCLSA-N 1 2 334.261 3.828 20 0 EHADLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000115059350 1030811582 /nfs/dbraw/zinc/81/15/82/1030811582.db2.gz FQFHBWGADUAAJL-UHFFFAOYSA-N 1 2 339.464 3.587 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000482958100 1030844001 /nfs/dbraw/zinc/84/40/01/1030844001.db2.gz JEOOMNZNJSWDSJ-OAHLLOKOSA-N 1 2 334.872 3.807 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000482958100 1030844016 /nfs/dbraw/zinc/84/40/16/1030844016.db2.gz JEOOMNZNJSWDSJ-OAHLLOKOSA-N 1 2 334.872 3.807 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000172168107 1030844801 /nfs/dbraw/zinc/84/48/01/1030844801.db2.gz DLASEWZWZUQVCP-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000172168107 1030844813 /nfs/dbraw/zinc/84/48/13/1030844813.db2.gz DLASEWZWZUQVCP-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000172001915 1030858999 /nfs/dbraw/zinc/85/89/99/1030858999.db2.gz FOYPGQQGSJPIPN-UHFFFAOYSA-N 1 2 339.370 3.982 20 0 EHADLO c1nnc([C@H]([NH2+]CCc2ccc3ccccc3c2)c2ccccc2)[nH]1 ZINC000527378119 1030890213 /nfs/dbraw/zinc/89/02/13/1030890213.db2.gz QBJXCIZYWOHRRV-HXUWFJFHSA-N 1 2 328.419 3.880 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000482998790 1030895727 /nfs/dbraw/zinc/89/57/27/1030895727.db2.gz SUWCSZRPNZBJPZ-SFHVURJKSA-N 1 2 345.512 3.787 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000482998790 1030895752 /nfs/dbraw/zinc/89/57/52/1030895752.db2.gz SUWCSZRPNZBJPZ-SFHVURJKSA-N 1 2 345.512 3.787 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc2c1OCO2 ZINC000061556225 1030913666 /nfs/dbraw/zinc/91/36/66/1030913666.db2.gz RGDFMZOFYJPSNA-IBGZPJMESA-N 1 2 337.375 3.896 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000162143270 1030942610 /nfs/dbraw/zinc/94/26/10/1030942610.db2.gz QVARKVPNFWPWBJ-GOSISDBHSA-N 1 2 340.515 3.927 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483107792 1030972800 /nfs/dbraw/zinc/97/28/00/1030972800.db2.gz SDBWMTXXVWWBER-YJBOKZPZSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483107792 1030972817 /nfs/dbraw/zinc/97/28/17/1030972817.db2.gz SDBWMTXXVWWBER-YJBOKZPZSA-N 1 2 331.362 3.668 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000172755725 1030992086 /nfs/dbraw/zinc/99/20/86/1030992086.db2.gz ORBVMYQITCDVRL-MRXNPFEDSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000172755725 1030992102 /nfs/dbraw/zinc/99/21/02/1030992102.db2.gz ORBVMYQITCDVRL-MRXNPFEDSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000448370302 1031005775 /nfs/dbraw/zinc/00/57/75/1031005775.db2.gz HGHHHQXTQVWCQQ-INIZCTEOSA-N 1 2 349.276 3.557 20 0 EHADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000448370302 1031005791 /nfs/dbraw/zinc/00/57/91/1031005791.db2.gz HGHHHQXTQVWCQQ-INIZCTEOSA-N 1 2 349.276 3.557 20 0 EHADLO c1coc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)c1 ZINC000098136488 1031011729 /nfs/dbraw/zinc/01/17/29/1031011729.db2.gz DODYMYCYZVRULX-FQEVSTJZSA-N 1 2 337.423 3.647 20 0 EHADLO c1coc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)c1 ZINC000098136488 1031011734 /nfs/dbraw/zinc/01/17/34/1031011734.db2.gz DODYMYCYZVRULX-FQEVSTJZSA-N 1 2 337.423 3.647 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc(-c2ccncc2)s1 ZINC000172885537 1031012359 /nfs/dbraw/zinc/01/23/59/1031012359.db2.gz JKZHFAAKMYOMHE-UHFFFAOYSA-N 1 2 347.403 3.848 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116171752 1031018275 /nfs/dbraw/zinc/01/82/75/1031018275.db2.gz IEVZUKMYODLDDP-OLZOCXBDSA-N 1 2 339.345 3.893 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116212428 1031046069 /nfs/dbraw/zinc/04/60/69/1031046069.db2.gz HTEMGULBRIHAFC-RUJXFNLJSA-N 1 2 333.391 3.842 20 0 EHADLO Brc1c[nH+]c2ccccc2c1NC1(c2ccccn2)CC1 ZINC001168151235 1031056851 /nfs/dbraw/zinc/05/68/51/1031056851.db2.gz NVVJNRZQQNCPOH-UHFFFAOYSA-N 1 2 340.224 3.915 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1C ZINC000173191002 1031058742 /nfs/dbraw/zinc/05/87/42/1031058742.db2.gz JBJJJLBAUFWQBA-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1C ZINC000173191002 1031058751 /nfs/dbraw/zinc/05/87/51/1031058751.db2.gz JBJJJLBAUFWQBA-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COc1cc(F)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000565080749 1031059547 /nfs/dbraw/zinc/05/95/47/1031059547.db2.gz PMUJORSFPXULDD-INIZCTEOSA-N 1 2 349.402 3.617 20 0 EHADLO COc1cc(F)c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000565080749 1031059564 /nfs/dbraw/zinc/05/95/64/1031059564.db2.gz PMUJORSFPXULDD-INIZCTEOSA-N 1 2 349.402 3.617 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)[nH+]c12 ZINC000611795761 1031137580 /nfs/dbraw/zinc/13/75/80/1031137580.db2.gz RRTNAPHPMILXSV-YJBOKZPZSA-N 1 2 347.409 3.517 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)cc1 ZINC000483437104 1031169603 /nfs/dbraw/zinc/16/96/03/1031169603.db2.gz KFAAXGCORQASGG-GOSISDBHSA-N 1 2 327.472 3.843 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)cc1 ZINC000483437104 1031169614 /nfs/dbraw/zinc/16/96/14/1031169614.db2.gz KFAAXGCORQASGG-GOSISDBHSA-N 1 2 327.472 3.843 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000583937680 1031174372 /nfs/dbraw/zinc/17/43/72/1031174372.db2.gz WRMVFCSHABLFLL-VZJVUDMVSA-N 1 2 338.238 3.813 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000483476256 1031186976 /nfs/dbraw/zinc/18/69/76/1031186976.db2.gz HUYPMNVQAYSRFU-UHFFFAOYSA-N 1 2 345.464 3.833 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000483476256 1031186978 /nfs/dbraw/zinc/18/69/78/1031186978.db2.gz HUYPMNVQAYSRFU-UHFFFAOYSA-N 1 2 345.464 3.833 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](CO)c2c(Cl)cccc2Cl)ccn1 ZINC000551278661 1031188433 /nfs/dbraw/zinc/18/84/33/1031188433.db2.gz TYTGSXNHYMXVMI-IINYFYTJSA-N 1 2 341.238 3.781 20 0 EHADLO Fc1ccc(C2(C[NH2+][C@H](c3nnc[nH]3)c3ccccc3)CCC2)cc1 ZINC000343511912 1031199818 /nfs/dbraw/zinc/19/98/18/1031199818.db2.gz MVYNFBDLUBFFEP-SFHVURJKSA-N 1 2 336.414 3.745 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000343513793 1031207757 /nfs/dbraw/zinc/20/77/57/1031207757.db2.gz NUOCOLQCIJJNCF-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO Cc1nn(C(C)C)cc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000343513793 1031207777 /nfs/dbraw/zinc/20/77/77/1031207777.db2.gz NUOCOLQCIJJNCF-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1O ZINC000551332404 1031232150 /nfs/dbraw/zinc/23/21/50/1031232150.db2.gz LKPQCXNHORVPQN-LJQANCHMSA-N 1 2 341.451 3.625 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1O ZINC000551332404 1031232163 /nfs/dbraw/zinc/23/21/63/1031232163.db2.gz LKPQCXNHORVPQN-LJQANCHMSA-N 1 2 341.451 3.625 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)CCC2 ZINC000393338956 1031238840 /nfs/dbraw/zinc/23/88/40/1031238840.db2.gz QZTDNQVFYVSPAR-LLVKDONJSA-N 1 2 334.261 3.522 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000483660650 1031266619 /nfs/dbraw/zinc/26/66/19/1031266619.db2.gz MSMDTYWRBWKOQJ-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000483660650 1031266630 /nfs/dbraw/zinc/26/66/30/1031266630.db2.gz MSMDTYWRBWKOQJ-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccsc1CCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000127134518 1031268800 /nfs/dbraw/zinc/26/88/00/1031268800.db2.gz CVMNSVYBLOXTND-UHFFFAOYSA-N 1 2 341.480 3.694 20 0 EHADLO C[N@H+](Cc1nccs1)Cc1ccc(OCc2ccncc2)cc1 ZINC000175048182 1031271625 /nfs/dbraw/zinc/27/16/25/1031271625.db2.gz GTMMVJMDZBHPRD-UHFFFAOYSA-N 1 2 325.437 3.749 20 0 EHADLO C[N@@H+](Cc1nccs1)Cc1ccc(OCc2ccncc2)cc1 ZINC000175048182 1031271636 /nfs/dbraw/zinc/27/16/36/1031271636.db2.gz GTMMVJMDZBHPRD-UHFFFAOYSA-N 1 2 325.437 3.749 20 0 EHADLO CS[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)C(C)(C)C ZINC000343533144 1031278975 /nfs/dbraw/zinc/27/89/75/1031278975.db2.gz MRUFONIVHPTMPG-INIZCTEOSA-N 1 2 331.485 3.688 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000448592098 1031294782 /nfs/dbraw/zinc/29/47/82/1031294782.db2.gz LWABEKIASPPULG-JFIYKMOQSA-N 1 2 330.472 3.530 20 0 EHADLO C[C@@H](CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000527830318 1031296109 /nfs/dbraw/zinc/29/61/09/1031296109.db2.gz ZJPSZDUPNFKATQ-WMZOPIPTSA-N 1 2 344.503 3.518 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448630485 1031353133 /nfs/dbraw/zinc/35/31/33/1031353133.db2.gz OSPZHJLZXWQGMS-ZDUSSCGKSA-N 1 2 339.361 3.526 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000483872780 1031385381 /nfs/dbraw/zinc/38/53/81/1031385381.db2.gz XLOAOAKAKOGSMJ-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000483872780 1031385399 /nfs/dbraw/zinc/38/53/99/1031385399.db2.gz XLOAOAKAKOGSMJ-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cc2ccccc2o1 ZINC000175984974 1031404424 /nfs/dbraw/zinc/40/44/24/1031404424.db2.gz ZPJGIXUXRSJDOQ-OAHLLOKOSA-N 1 2 349.434 3.848 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1ccoc1 ZINC000102409326 1031419974 /nfs/dbraw/zinc/41/99/74/1031419974.db2.gz BLTFHAUTBCOSDJ-IBGZPJMESA-N 1 2 326.440 3.638 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1ccoc1 ZINC000102409326 1031419981 /nfs/dbraw/zinc/41/99/81/1031419981.db2.gz BLTFHAUTBCOSDJ-IBGZPJMESA-N 1 2 326.440 3.638 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)c1 ZINC000484023002 1031434231 /nfs/dbraw/zinc/43/42/31/1031434231.db2.gz YMSVWIAJNRDOTE-UHFFFAOYSA-N 1 2 326.465 3.714 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)c1 ZINC000484023002 1031434243 /nfs/dbraw/zinc/43/42/43/1031434243.db2.gz YMSVWIAJNRDOTE-UHFFFAOYSA-N 1 2 326.465 3.714 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)c1 ZINC000484108308 1031461983 /nfs/dbraw/zinc/46/19/83/1031461983.db2.gz XNCUWAGQTRTNOU-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)c1 ZINC000484108308 1031461989 /nfs/dbraw/zinc/46/19/89/1031461989.db2.gz XNCUWAGQTRTNOU-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1Cl ZINC000176786241 1031485378 /nfs/dbraw/zinc/48/53/78/1031485378.db2.gz IDZCQFSNMQXFIP-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC(C)C[C@@H](c1nc([C@H]2CCOc3ccccc32)no1)n1cc[nH+]c1 ZINC000923886893 1031524353 /nfs/dbraw/zinc/52/43/53/1031524353.db2.gz XMVUQKHBOBTVHB-HOTGVXAUSA-N 1 2 338.411 3.816 20 0 EHADLO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000527999619 1031560835 /nfs/dbraw/zinc/56/08/35/1031560835.db2.gz BRICHJVIMDMEJJ-MSOLQXFVSA-N 1 2 344.405 3.669 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000528009590 1031583668 /nfs/dbraw/zinc/58/36/68/1031583668.db2.gz WGYYUAIWPGCVGZ-SQNIBIBYSA-N 1 2 333.863 3.709 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000448730511 1031601471 /nfs/dbraw/zinc/60/14/71/1031601471.db2.gz YARMEIWSXFMJDS-RNIPGJKVSA-N 1 2 344.499 3.917 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccs1 ZINC000177980176 1031602691 /nfs/dbraw/zinc/60/26/91/1031602691.db2.gz KYNNVBILLDTONL-HUUCEWRRSA-N 1 2 346.500 3.597 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000178063737 1031618380 /nfs/dbraw/zinc/61/83/80/1031618380.db2.gz LJFRRFCAGFDAKJ-UHFFFAOYSA-N 1 2 344.418 3.624 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cscn1)CCCO2 ZINC000178237251 1031647054 /nfs/dbraw/zinc/64/70/54/1031647054.db2.gz BBOIHNWTVRLIMG-ZDUSSCGKSA-N 1 2 339.258 3.909 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000667016885 1031665944 /nfs/dbraw/zinc/66/59/44/1031665944.db2.gz BLXOOPPVARSBGM-KBPBESRZSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000667016885 1031665958 /nfs/dbraw/zinc/66/59/58/1031665958.db2.gz BLXOOPPVARSBGM-KBPBESRZSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@H](CC(=O)NCC(c1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000551806247 1031666192 /nfs/dbraw/zinc/66/61/92/1031666192.db2.gz SSCYNLCPCCBXFS-QGZVFWFLSA-N 1 2 333.435 3.783 20 0 EHADLO Cc1nc(-c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)cs1 ZINC000178380867 1031690235 /nfs/dbraw/zinc/69/02/35/1031690235.db2.gz JGULQOSAJBEJRQ-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cccc2Cl)c1C ZINC000448823514 1031727902 /nfs/dbraw/zinc/72/79/02/1031727902.db2.gz NMEUENHXXDPNPU-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000551913921 1031758062 /nfs/dbraw/zinc/75/80/62/1031758062.db2.gz AAKGEMJHAGPERS-NSHDSACASA-N 1 2 326.227 3.800 20 0 EHADLO O=C(N[C@@H](c1ccco1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117583453 1031759134 /nfs/dbraw/zinc/75/91/34/1031759134.db2.gz OMNQBVGWZYXIHW-HXUWFJFHSA-N 1 2 343.386 3.985 20 0 EHADLO CCO[C@@H](c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1)C(C)C ZINC000904123673 1031760893 /nfs/dbraw/zinc/76/08/93/1031760893.db2.gz RWSQJOBIVNKGQU-GOSISDBHSA-N 1 2 340.427 3.639 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccco1 ZINC000528136495 1031761045 /nfs/dbraw/zinc/76/10/45/1031761045.db2.gz BMBKQZSNVZSUOX-CYBMUJFWSA-N 1 2 333.457 3.854 20 0 EHADLO COc1ccccc1[C@@H](NCc1cccc2[nH+]ccn21)c1ccco1 ZINC000179429876 1031773725 /nfs/dbraw/zinc/77/37/25/1031773725.db2.gz AZDZJQHBRMHPCW-HXUWFJFHSA-N 1 2 333.391 3.815 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ncc(CSC)s1)C2 ZINC000551954791 1031789497 /nfs/dbraw/zinc/78/94/97/1031789497.db2.gz QHMSSNWZBKFYRN-UHFFFAOYSA-N 1 2 334.510 3.963 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ncc(CSC)s1)C2 ZINC000551954791 1031789515 /nfs/dbraw/zinc/78/95/15/1031789515.db2.gz QHMSSNWZBKFYRN-UHFFFAOYSA-N 1 2 334.510 3.963 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086232843 1031813798 /nfs/dbraw/zinc/81/37/98/1031813798.db2.gz WIXWMMFGEIMVLK-LBPRGKRZSA-N 1 2 332.366 3.604 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086232843 1031813806 /nfs/dbraw/zinc/81/38/06/1031813806.db2.gz WIXWMMFGEIMVLK-LBPRGKRZSA-N 1 2 332.366 3.604 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000086233649 1031813835 /nfs/dbraw/zinc/81/38/35/1031813835.db2.gz UVUTYWPMHQZENN-INIZCTEOSA-N 1 2 338.451 3.996 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000086233649 1031813850 /nfs/dbraw/zinc/81/38/50/1031813850.db2.gz UVUTYWPMHQZENN-INIZCTEOSA-N 1 2 338.451 3.996 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)nc21 ZINC000584181588 1031887298 /nfs/dbraw/zinc/88/72/98/1031887298.db2.gz CBNSFDFIABLNLY-SECBINFHSA-N 1 2 334.832 3.799 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)nc21 ZINC000584181588 1031887324 /nfs/dbraw/zinc/88/73/24/1031887324.db2.gz CBNSFDFIABLNLY-SECBINFHSA-N 1 2 334.832 3.799 20 0 EHADLO COc1cccc([C@H](C)c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000685274436 1031900788 /nfs/dbraw/zinc/90/07/88/1031900788.db2.gz MCWDWHBEEMQRBJ-KBXCAEBGSA-N 1 2 337.423 3.881 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000904257979 1031904597 /nfs/dbraw/zinc/90/45/97/1031904597.db2.gz HKEWICIBWOYXHF-ZJUUUORDSA-N 1 2 326.322 3.858 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000904261202 1031905541 /nfs/dbraw/zinc/90/55/41/1031905541.db2.gz YJPMBPKWTDMUNP-OXQOHEQNSA-N 1 2 332.407 3.784 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Br)cc1 ZINC000181117228 1031949088 /nfs/dbraw/zinc/94/90/88/1031949088.db2.gz MESCWUMCOOHLOL-JTQLQIEISA-N 1 2 348.200 3.943 20 0 EHADLO Clc1cc2c(cc1C[N@H+](Cc1cccnc1)C1CC1)OCCO2 ZINC000343692767 1031965444 /nfs/dbraw/zinc/96/54/44/1031965444.db2.gz PFARCCXONXPDHZ-UHFFFAOYSA-N 1 2 330.815 3.671 20 0 EHADLO Clc1cc2c(cc1C[N@@H+](Cc1cccnc1)C1CC1)OCCO2 ZINC000343692767 1031965456 /nfs/dbraw/zinc/96/54/56/1031965456.db2.gz PFARCCXONXPDHZ-UHFFFAOYSA-N 1 2 330.815 3.671 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449002153 1032010684 /nfs/dbraw/zinc/01/06/84/1032010684.db2.gz IVIIAKOFNANSTF-YVMONPNESA-N 1 2 333.435 3.659 20 0 EHADLO CCn1nnc(C)c1C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000449013855 1032023961 /nfs/dbraw/zinc/02/39/61/1032023961.db2.gz MRWVVRPGYPADBT-UHFFFAOYSA-N 1 2 334.414 3.829 20 0 EHADLO CCn1nnc(C)c1C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000449013855 1032023981 /nfs/dbraw/zinc/02/39/81/1032023981.db2.gz MRWVVRPGYPADBT-UHFFFAOYSA-N 1 2 334.414 3.829 20 0 EHADLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(OC)cc1 ZINC000181925771 1032043118 /nfs/dbraw/zinc/04/31/18/1032043118.db2.gz PTAPAMKULRMPIF-LJQANCHMSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000529039053 1033305857 /nfs/dbraw/zinc/30/58/57/1033305857.db2.gz HMNNOOAZONIMRM-HUUCEWRRSA-N 1 2 332.469 3.740 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426521 1033318278 /nfs/dbraw/zinc/31/82/78/1033318278.db2.gz VQHFOPCJLDDOIX-YPMHNXCESA-N 1 2 347.377 3.528 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426521 1033318287 /nfs/dbraw/zinc/31/82/87/1033318287.db2.gz VQHFOPCJLDDOIX-YPMHNXCESA-N 1 2 347.377 3.528 20 0 EHADLO CCc1cnccc1-c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000574612359 1033320537 /nfs/dbraw/zinc/32/05/37/1033320537.db2.gz WWWOZOKXCJHAME-UHFFFAOYSA-N 1 2 345.406 3.530 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000898107952 1033332513 /nfs/dbraw/zinc/33/25/13/1033332513.db2.gz HGTFHTWEQMMKPA-GWCFXTLKSA-N 1 2 346.208 3.571 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C)c1ccccc1 ZINC000120102103 1033367609 /nfs/dbraw/zinc/36/76/09/1033367609.db2.gz DCXKXZSNQMETJW-AWEZNQCLSA-N 1 2 333.863 3.552 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C)c1ccccc1 ZINC000120102103 1033367619 /nfs/dbraw/zinc/36/76/19/1033367619.db2.gz DCXKXZSNQMETJW-AWEZNQCLSA-N 1 2 333.863 3.552 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(F)cc3OC(F)F)[nH+]c12 ZINC000607875689 1033378866 /nfs/dbraw/zinc/37/88/66/1033378866.db2.gz PNBUVZFSWMOTRS-UHFFFAOYSA-N 1 2 349.312 3.564 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000120125068 1033382244 /nfs/dbraw/zinc/38/22/44/1033382244.db2.gz ZSCYHJZQGTVHQZ-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000120125068 1033382256 /nfs/dbraw/zinc/38/22/56/1033382256.db2.gz ZSCYHJZQGTVHQZ-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC[C@H]1C[N@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)CCS1 ZINC000173511044 1033385920 /nfs/dbraw/zinc/38/59/20/1033385920.db2.gz FYCLHQPVISNTHY-AWEZNQCLSA-N 1 2 340.562 3.848 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)CCS1 ZINC000173511044 1033385933 /nfs/dbraw/zinc/38/59/33/1033385933.db2.gz FYCLHQPVISNTHY-AWEZNQCLSA-N 1 2 340.562 3.848 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)Nc1cccc2[nH+]ccn21 ZINC000460322603 1033390989 /nfs/dbraw/zinc/39/09/89/1033390989.db2.gz BQVPWECUHPBAGB-UHFFFAOYSA-N 1 2 329.787 3.785 20 0 EHADLO CC1=Nc2ccccc2C12CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC000898243781 1033398415 /nfs/dbraw/zinc/39/84/15/1033398415.db2.gz CBYVRYYQWLXHCC-UHFFFAOYSA-N 1 2 344.418 3.614 20 0 EHADLO CC(C)C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000358117606 1033408584 /nfs/dbraw/zinc/40/85/84/1033408584.db2.gz MBBVXVFCWYAKET-INIZCTEOSA-N 1 2 334.851 3.660 20 0 EHADLO CC[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cc(F)ccc1F ZINC000278780169 1033410205 /nfs/dbraw/zinc/41/02/05/1033410205.db2.gz ZHFRVKZMGSDFLR-CQSZACIVSA-N 1 2 340.805 3.715 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(Cl)c2)C2CC2)c1 ZINC000063518045 1033435343 /nfs/dbraw/zinc/43/53/43/1033435343.db2.gz TYLCQXJNNGXGLV-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(Cl)c2)C2CC2)c1 ZINC000063518045 1033435353 /nfs/dbraw/zinc/43/53/53/1033435353.db2.gz TYLCQXJNNGXGLV-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)c1 ZINC000594595529 1033443461 /nfs/dbraw/zinc/44/34/61/1033443461.db2.gz ARSOGGNJFOOOHJ-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO Cc1cscc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176907862 1033445046 /nfs/dbraw/zinc/44/50/46/1033445046.db2.gz VBXVVGBKWQZTBV-UHFFFAOYSA-N 1 2 343.496 3.521 20 0 EHADLO CCCCCC[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000173766690 1033507813 /nfs/dbraw/zinc/50/78/13/1033507813.db2.gz QVSOQRWFLGUWSM-ZWKOTPCHSA-N 1 2 331.504 3.893 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000061056079 1033512954 /nfs/dbraw/zinc/51/29/54/1033512954.db2.gz PYKWFAQHMSPTQT-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC4(CCCC4)C3)cn2c1 ZINC000173742512 1033514961 /nfs/dbraw/zinc/51/49/61/1033514961.db2.gz JWHUUTSPOAOSCC-UHFFFAOYSA-N 1 2 343.496 3.669 20 0 EHADLO Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cc[nH+]1 ZINC000120210431 1033519594 /nfs/dbraw/zinc/51/95/94/1033519594.db2.gz YYVNVFNXXNDOSF-UHFFFAOYSA-N 1 2 331.803 3.890 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001168293682 1033542527 /nfs/dbraw/zinc/54/25/27/1033542527.db2.gz QSVUBLQKBBFMLT-KRWDZBQOSA-N 1 2 337.354 3.689 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1Cl ZINC000537529175 1033580894 /nfs/dbraw/zinc/58/08/94/1033580894.db2.gz WGEACMNUKTYCHO-UHFFFAOYSA-N 1 2 330.737 3.793 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc3c(cccc3C)[nH]2)s1 ZINC000594951165 1033592768 /nfs/dbraw/zinc/59/27/68/1033592768.db2.gz SDPBMOUWVUYXPW-NSHDSACASA-N 1 2 329.425 3.570 20 0 EHADLO CCc1nnc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)s1 ZINC000685591461 1033598429 /nfs/dbraw/zinc/59/84/29/1033598429.db2.gz GXIPWEOWMJQDHJ-UHFFFAOYSA-N 1 2 346.431 3.760 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)CCC1(F)F ZINC000685591342 1033598791 /nfs/dbraw/zinc/59/87/91/1033598791.db2.gz TUEHXQSIISGFMZ-SNVBAGLBSA-N 1 2 327.762 3.867 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)CCC1(F)F ZINC000685591342 1033598798 /nfs/dbraw/zinc/59/87/98/1033598798.db2.gz TUEHXQSIISGFMZ-SNVBAGLBSA-N 1 2 327.762 3.867 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(CC(F)(F)F)cc1 ZINC000608320761 1033620911 /nfs/dbraw/zinc/62/09/11/1033620911.db2.gz YFQBBMHCRCOHAU-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO Cc1cccn2cc(CCNc3cnc4cc(F)c(F)cc4n3)[nH+]c12 ZINC000080676198 1033628718 /nfs/dbraw/zinc/62/87/18/1033628718.db2.gz GKELUJPCGVEILK-UHFFFAOYSA-N 1 2 339.349 3.519 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000475663990 1033693456 /nfs/dbraw/zinc/69/34/56/1033693456.db2.gz ZWLPHORELVCMTK-KGLIPLIRSA-N 1 2 349.425 3.954 20 0 EHADLO C[N@H+](Cc1nnc2ccccn21)Cc1cc(Cl)cc2cccnc21 ZINC000081009320 1033707649 /nfs/dbraw/zinc/70/76/49/1033707649.db2.gz PHVGIULIBLFNBD-UHFFFAOYSA-N 1 2 337.814 3.563 20 0 EHADLO C[N@@H+](Cc1nnc2ccccn21)Cc1cc(Cl)cc2cccnc21 ZINC000081009320 1033707667 /nfs/dbraw/zinc/70/76/67/1033707667.db2.gz PHVGIULIBLFNBD-UHFFFAOYSA-N 1 2 337.814 3.563 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)s1 ZINC000599068962 1033710790 /nfs/dbraw/zinc/71/07/90/1033710790.db2.gz RGXMDCRVPYCFNW-XHDPSFHLSA-N 1 2 331.441 3.517 20 0 EHADLO COc1ccc([C@H](CNCc2nc(C)c(C)s2)[NH+]2CCCC2)cc1 ZINC000892413047 1033712901 /nfs/dbraw/zinc/71/29/01/1033712901.db2.gz CIHGWDJVPGOGMW-SFHVURJKSA-N 1 2 345.512 3.695 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329842 1033729825 /nfs/dbraw/zinc/72/98/25/1033729825.db2.gz CSHZSYQFVVHTMA-IUCAKERBSA-N 1 2 325.425 3.663 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329842 1033729836 /nfs/dbraw/zinc/72/98/36/1033729836.db2.gz CSHZSYQFVVHTMA-IUCAKERBSA-N 1 2 325.425 3.663 20 0 EHADLO CCOC1CCC(Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000657959418 1033733897 /nfs/dbraw/zinc/73/38/97/1033733897.db2.gz IBBCOKFPLAJZNW-UHFFFAOYSA-N 1 2 329.444 3.722 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000529269322 1033741655 /nfs/dbraw/zinc/74/16/55/1033741655.db2.gz BJPLSIOMOGTWTD-HOTGVXAUSA-N 1 2 341.455 3.712 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C(C)(C)C(F)F ZINC000657965701 1033743885 /nfs/dbraw/zinc/74/38/85/1033743885.db2.gz BNOVCXFROFNXRM-UPJWGTAASA-N 1 2 327.419 3.787 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nc3ccccc3s2)[C@@H](CC)CN1C(C)=O ZINC000472350467 1033757870 /nfs/dbraw/zinc/75/78/70/1033757870.db2.gz NNHABQXRLVGPSE-LSDHHAIUSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)[C@@H](CC)CN1C(C)=O ZINC000472350467 1033757880 /nfs/dbraw/zinc/75/78/80/1033757880.db2.gz NNHABQXRLVGPSE-LSDHHAIUSA-N 1 2 331.485 3.518 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc3c(cc2Cl)CCC3)C1 ZINC000529289456 1033775118 /nfs/dbraw/zinc/77/51/18/1033775118.db2.gz QLKIZHWBCBPPLK-CQSZACIVSA-N 1 2 344.846 3.584 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000595361575 1033781876 /nfs/dbraw/zinc/78/18/76/1033781876.db2.gz XXGCJTJROYDPRU-AWEZNQCLSA-N 1 2 327.428 3.620 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000595361575 1033781892 /nfs/dbraw/zinc/78/18/92/1033781892.db2.gz XXGCJTJROYDPRU-AWEZNQCLSA-N 1 2 327.428 3.620 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000081676890 1033785572 /nfs/dbraw/zinc/78/55/72/1033785572.db2.gz RRTSSJNGVDNRNI-UHFFFAOYSA-N 1 2 329.831 3.633 20 0 EHADLO O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608586182 1033787465 /nfs/dbraw/zinc/78/74/65/1033787465.db2.gz OFAPTKMLPDIHFM-MRXNPFEDSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000595424599 1033794487 /nfs/dbraw/zinc/79/44/87/1033794487.db2.gz HCXBLBBOQBSHOY-KRWDZBQOSA-N 1 2 328.412 3.725 20 0 EHADLO CCC[C@@H](C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174190640 1033814315 /nfs/dbraw/zinc/81/43/15/1033814315.db2.gz XYVXAZXIQHDEEG-MRXNPFEDSA-N 1 2 331.504 3.664 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000450155825 1033822466 /nfs/dbraw/zinc/82/24/66/1033822466.db2.gz BIMVFPVMBZHEJR-PBHICJAKSA-N 1 2 339.464 3.750 20 0 EHADLO CCCCc1ccc([C@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000358481214 1033835093 /nfs/dbraw/zinc/83/50/93/1033835093.db2.gz RMMBRVZKVVKTRE-LJQANCHMSA-N 1 2 342.487 3.959 20 0 EHADLO O=C(/C=C/c1cc2ccccc2o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120453911 1033841267 /nfs/dbraw/zinc/84/12/67/1033841267.db2.gz JXBNLFUJUOCQAN-DUMMIQTOSA-N 1 2 334.375 3.521 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000046815406 1033858158 /nfs/dbraw/zinc/85/81/58/1033858158.db2.gz GMAATADOWNXMIA-QWHCGFSZSA-N 1 2 342.443 3.953 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1Br)[C@@H]1CCOC1 ZINC001140712162 1033860081 /nfs/dbraw/zinc/86/00/81/1033860081.db2.gz UHHGJMORCILTHM-LLVKDONJSA-N 1 2 338.167 3.689 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1Br)[C@@H]1CCOC1 ZINC001140712162 1033860094 /nfs/dbraw/zinc/86/00/94/1033860094.db2.gz UHHGJMORCILTHM-LLVKDONJSA-N 1 2 338.167 3.689 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1noc(-c2cccc(F)c2)n1 ZINC000608764268 1033875742 /nfs/dbraw/zinc/87/57/42/1033875742.db2.gz RDMOGLGOKHNPNW-UHFFFAOYSA-N 1 2 349.325 3.518 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nc1C ZINC001127215315 1033903538 /nfs/dbraw/zinc/90/35/38/1033903538.db2.gz LEHKRGQYZCVITQ-UHFFFAOYSA-N 1 2 344.418 3.866 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000603749227 1033910944 /nfs/dbraw/zinc/91/09/44/1033910944.db2.gz HCHPLSXQLXRFPV-OAHLLOKOSA-N 1 2 330.457 3.864 20 0 EHADLO C[C@](CO)([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000599442034 1033926880 /nfs/dbraw/zinc/92/68/80/1033926880.db2.gz OFCISTXJODHHKM-LJQANCHMSA-N 1 2 342.826 3.992 20 0 EHADLO CCc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cnn1-c1ccc(C)cc1 ZINC000603809106 1033940042 /nfs/dbraw/zinc/94/00/42/1033940042.db2.gz OAKQPNLVYUOEMQ-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(Cl)cc1O)C2 ZINC000476489093 1033950712 /nfs/dbraw/zinc/95/07/12/1033950712.db2.gz ZRNPDVRJTMPBED-JTQLQIEISA-N 1 2 333.819 3.636 20 0 EHADLO C[C@@H](c1ccccn1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000177000805 1033982924 /nfs/dbraw/zinc/98/29/24/1033982924.db2.gz XGUFZMFZKHDHEW-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]CCc2ccnc3ccccc23)C2CCCCC2)n1 ZINC000658128833 1033983708 /nfs/dbraw/zinc/98/37/08/1033983708.db2.gz JGNLPZQLYFBCOW-IBGZPJMESA-N 1 2 335.455 3.807 20 0 EHADLO O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)C1(c2ccccc2)CCCC1 ZINC000120621570 1034003018 /nfs/dbraw/zinc/00/30/18/1034003018.db2.gz ADAHNSXQVANXGZ-IBGZPJMESA-N 1 2 336.435 3.573 20 0 EHADLO O=C(CCc1cc(F)ccc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000053346114 1034003222 /nfs/dbraw/zinc/00/32/22/1034003222.db2.gz RSLVMZCJXXTBHR-UHFFFAOYSA-N 1 2 327.334 3.722 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000603884632 1034009080 /nfs/dbraw/zinc/00/90/80/1034009080.db2.gz ZFWMTYREMFOYKO-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1ccccn1 ZINC000595913949 1034028242 /nfs/dbraw/zinc/02/82/42/1034028242.db2.gz BBVPIHGGMSKVBX-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1ccccn1 ZINC000595913949 1034028256 /nfs/dbraw/zinc/02/82/56/1034028256.db2.gz BBVPIHGGMSKVBX-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000635713001 1034038002 /nfs/dbraw/zinc/03/80/02/1034038002.db2.gz XAELJKHETDRMOV-CPUCHLNUSA-N 1 2 331.366 3.545 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000635713001 1034038014 /nfs/dbraw/zinc/03/80/14/1034038014.db2.gz XAELJKHETDRMOV-CPUCHLNUSA-N 1 2 331.366 3.545 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056874036 1034056379 /nfs/dbraw/zinc/05/63/79/1034056379.db2.gz LOPGHBIQFZJZSN-KRWDZBQOSA-N 1 2 342.418 3.569 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nccc(OC)c2F)C2CC2)c(F)c1 ZINC000658225077 1034079768 /nfs/dbraw/zinc/07/97/68/1034079768.db2.gz ROZGZVUFWKXPTO-SFHVURJKSA-N 1 2 334.366 3.618 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119106986 1034086651 /nfs/dbraw/zinc/08/66/51/1034086651.db2.gz HMUIOMLREVITCP-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119106986 1034086661 /nfs/dbraw/zinc/08/66/61/1034086661.db2.gz HMUIOMLREVITCP-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cc2ccccc2o1 ZINC000658231803 1034092934 /nfs/dbraw/zinc/09/29/34/1034092934.db2.gz GNPFMRMVZLUDIV-MRXNPFEDSA-N 1 2 343.452 3.865 20 0 EHADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529531417 1034117247 /nfs/dbraw/zinc/11/72/47/1034117247.db2.gz SGOJMEDUFJYFBA-LBPRGKRZSA-N 1 2 344.833 3.602 20 0 EHADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529531417 1034117254 /nfs/dbraw/zinc/11/72/54/1034117254.db2.gz SGOJMEDUFJYFBA-LBPRGKRZSA-N 1 2 344.833 3.602 20 0 EHADLO C[N@H+](CCc1nccs1)Cc1ncc(Cl)cc1Br ZINC000529533991 1034121408 /nfs/dbraw/zinc/12/14/08/1034121408.db2.gz XZETVHSFCIOGTM-UHFFFAOYSA-N 1 2 346.681 3.629 20 0 EHADLO C[N@@H+](CCc1nccs1)Cc1ncc(Cl)cc1Br ZINC000529533991 1034121420 /nfs/dbraw/zinc/12/14/20/1034121420.db2.gz XZETVHSFCIOGTM-UHFFFAOYSA-N 1 2 346.681 3.629 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2ccc(OC)c(O)c2)c(F)cc1OC ZINC000529525888 1034138181 /nfs/dbraw/zinc/13/81/81/1034138181.db2.gz FFRWZWIPNPBMPB-UHFFFAOYSA-N 1 2 349.402 3.579 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)c(F)cc1OC ZINC000529525888 1034138195 /nfs/dbraw/zinc/13/81/95/1034138195.db2.gz FFRWZWIPNPBMPB-UHFFFAOYSA-N 1 2 349.402 3.579 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000537616376 1034143829 /nfs/dbraw/zinc/14/38/29/1034143829.db2.gz MIIQYGNDNZHOGM-AWEZNQCLSA-N 1 2 334.407 3.690 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000537616376 1034143844 /nfs/dbraw/zinc/14/38/44/1034143844.db2.gz MIIQYGNDNZHOGM-AWEZNQCLSA-N 1 2 334.407 3.690 20 0 EHADLO C[C@@H](CO)[C@@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450350358 1034162029 /nfs/dbraw/zinc/16/20/29/1034162029.db2.gz QHTZDPAWEYUBGB-DTWKUNHWSA-N 1 2 327.197 3.565 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3cc(C)ccc3OC)CCO2)c1 ZINC000119468819 1034183819 /nfs/dbraw/zinc/18/38/19/1034183819.db2.gz JXHJWLXIZVNPOR-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3cc(C)ccc3OC)CCO2)c1 ZINC000119468819 1034183833 /nfs/dbraw/zinc/18/38/33/1034183833.db2.gz JXHJWLXIZVNPOR-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(Cl)c2)c1C ZINC000057605333 1034200990 /nfs/dbraw/zinc/20/09/90/1034200990.db2.gz IJGQZEAHTBSZMJ-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000529594733 1034237001 /nfs/dbraw/zinc/23/70/01/1034237001.db2.gz ADSXDZDDAJYOFW-SWLSCSKDSA-N 1 2 325.225 3.604 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000529594733 1034237005 /nfs/dbraw/zinc/23/70/05/1034237005.db2.gz ADSXDZDDAJYOFW-SWLSCSKDSA-N 1 2 325.225 3.604 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450426669 1034292702 /nfs/dbraw/zinc/29/27/02/1034292702.db2.gz CXMHNWKZRNUOSJ-SFHVURJKSA-N 1 2 328.460 3.961 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450426669 1034292715 /nfs/dbraw/zinc/29/27/15/1034292715.db2.gz CXMHNWKZRNUOSJ-SFHVURJKSA-N 1 2 328.460 3.961 20 0 EHADLO CCCc1sc(C(=O)NCCCNc2cccc[nH+]2)cc1CC ZINC000604267701 1034309434 /nfs/dbraw/zinc/30/94/34/1034309434.db2.gz RCXJZUQLAASUIS-UHFFFAOYSA-N 1 2 331.485 3.890 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)N(c2nc(N(C)C)c3ccccc3[nH+]2)C1 ZINC000450440279 1034333618 /nfs/dbraw/zinc/33/36/18/1034333618.db2.gz NVEOPWFLUKCWKM-KBXCAEBGSA-N 1 2 333.439 3.678 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C(C)C ZINC000456352425 1034342233 /nfs/dbraw/zinc/34/22/33/1034342233.db2.gz UYHGPSWBCIPKOE-PZJWPPBQSA-N 1 2 339.483 3.613 20 0 EHADLO CCCOc1nc(C(=O)Nc2cc(C)[nH+]cc2C)cc2ccccc21 ZINC000534300040 1034355472 /nfs/dbraw/zinc/35/54/72/1034355472.db2.gz JHQITWOWLQEULS-UHFFFAOYSA-N 1 2 335.407 3.710 20 0 EHADLO O=C(c1c(Cl)cccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121040178 1034358909 /nfs/dbraw/zinc/35/89/09/1034358909.db2.gz BLMJIUWAUUOEKX-GFCCVEGCSA-N 1 2 337.206 3.682 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453596 1034361024 /nfs/dbraw/zinc/36/10/24/1034361024.db2.gz JRMXJDZMJWHXRU-RDTXWAMCSA-N 1 2 328.460 3.817 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453596 1034361038 /nfs/dbraw/zinc/36/10/38/1034361038.db2.gz JRMXJDZMJWHXRU-RDTXWAMCSA-N 1 2 328.460 3.817 20 0 EHADLO CC(C)Oc1ccccc1CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060302398 1034370372 /nfs/dbraw/zinc/37/03/72/1034370372.db2.gz YYSCNLUWSITUOG-UHFFFAOYSA-N 1 2 349.434 3.518 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccnn2-c2ccccc2)c(OC)c1 ZINC000448211219 1034380660 /nfs/dbraw/zinc/38/06/60/1034380660.db2.gz FKQBIYFVWSEIBT-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccnn2-c2ccccc2)c(OC)c1 ZINC000448211219 1034380670 /nfs/dbraw/zinc/38/06/70/1034380670.db2.gz FKQBIYFVWSEIBT-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3C)o2)CCO1 ZINC000529667022 1034391217 /nfs/dbraw/zinc/39/12/17/1034391217.db2.gz QQIZSOQZGWWQTO-INIZCTEOSA-N 1 2 333.403 3.631 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3C)o2)CCO1 ZINC000529667022 1034391230 /nfs/dbraw/zinc/39/12/30/1034391230.db2.gz QQIZSOQZGWWQTO-INIZCTEOSA-N 1 2 333.403 3.631 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000761201702 1034403078 /nfs/dbraw/zinc/40/30/78/1034403078.db2.gz CYUUAASATSLLOD-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000761201702 1034403085 /nfs/dbraw/zinc/40/30/85/1034403085.db2.gz CYUUAASATSLLOD-UHFFFAOYSA-N 1 2 340.414 3.626 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000604667387 1034449143 /nfs/dbraw/zinc/44/91/43/1034449143.db2.gz WQBQTRWFRFVGDY-IAGOWNOFSA-N 1 2 332.492 3.789 20 0 EHADLO OC[C@]1(F)CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450535281 1034511679 /nfs/dbraw/zinc/51/16/79/1034511679.db2.gz LVHHHKSFBQCDFI-HNNXBMFYSA-N 1 2 328.309 3.554 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000612226200 1034518115 /nfs/dbraw/zinc/51/81/15/1034518115.db2.gz LJKGWECVAIEHKC-MDZRGWNJSA-N 1 2 341.430 3.710 20 0 EHADLO CCc1cc(CCC[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)on1 ZINC000450560817 1034521330 /nfs/dbraw/zinc/52/13/30/1034521330.db2.gz RBLXZESAKWNVEG-UHFFFAOYSA-N 1 2 327.403 3.848 20 0 EHADLO CCc1cc(CCC[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)on1 ZINC000450560817 1034521334 /nfs/dbraw/zinc/52/13/34/1034521334.db2.gz RBLXZESAKWNVEG-UHFFFAOYSA-N 1 2 327.403 3.848 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(C)CC1 ZINC000023752105 1034535398 /nfs/dbraw/zinc/53/53/98/1034535398.db2.gz UMYIBYFYSZFFGX-QWHCGFSZSA-N 1 2 345.512 3.902 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999607 1034583571 /nfs/dbraw/zinc/58/35/71/1034583571.db2.gz BVQKVFOYTIVTTI-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000604999607 1034583578 /nfs/dbraw/zinc/58/35/78/1034583578.db2.gz BVQKVFOYTIVTTI-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)[nH]n1 ZINC000121258327 1034603645 /nfs/dbraw/zinc/60/36/45/1034603645.db2.gz GSPMWCOKSKATOQ-GOSISDBHSA-N 1 2 348.450 3.763 20 0 EHADLO c1cc([C@@H]2CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)[nH]n1 ZINC000121258327 1034603649 /nfs/dbraw/zinc/60/36/49/1034603649.db2.gz GSPMWCOKSKATOQ-GOSISDBHSA-N 1 2 348.450 3.763 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)c1csnn1 ZINC000450670887 1034670800 /nfs/dbraw/zinc/67/08/00/1034670800.db2.gz DOIWCOZXTFXTQK-NXEZZACHSA-N 1 2 331.363 3.891 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1OC(F)F ZINC000450672329 1034672493 /nfs/dbraw/zinc/67/24/93/1034672493.db2.gz YMAVBCCDLFHGRX-SNVBAGLBSA-N 1 2 349.303 3.898 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3ccn(CC(F)(F)F)n3)CCC2)c(F)c1 ZINC000450679681 1034677893 /nfs/dbraw/zinc/67/78/93/1034677893.db2.gz KJSBBZKVGUWSQX-UHFFFAOYSA-N 1 2 345.315 3.893 20 0 EHADLO O[C@@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccc(-c2ccccc2)cc1 ZINC000375841257 1034690014 /nfs/dbraw/zinc/69/00/14/1034690014.db2.gz RHOYMWHQDDFYRV-CTNGQTDRSA-N 1 2 333.435 3.777 20 0 EHADLO Cc1cc([C@@H](NC(=O)NCCCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000534611100 1034727721 /nfs/dbraw/zinc/72/77/21/1034727721.db2.gz AGDAOAVWGUPMPZ-SFHVURJKSA-N 1 2 344.434 3.561 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000612298637 1034738757 /nfs/dbraw/zinc/73/87/57/1034738757.db2.gz PVOIPTGYJLHHAY-YVMONPNESA-N 1 2 346.474 3.647 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OC1CC1)c1cn(-c2ccccc2)nn1 ZINC000450735151 1034740068 /nfs/dbraw/zinc/74/00/68/1034740068.db2.gz FCLWKLXQWJYVCI-OAHLLOKOSA-N 1 2 334.423 3.659 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](OC)[C@@H](C)C1 ZINC000450750852 1034769280 /nfs/dbraw/zinc/76/92/80/1034769280.db2.gz COLWMUBIVGMLTI-KSSFIOAISA-N 1 2 342.439 3.581 20 0 EHADLO Cc1ccc(CC(=O)NCc2c[nH+]c(C)cc2C)c(Br)c1 ZINC000456826325 1034770616 /nfs/dbraw/zinc/77/06/16/1034770616.db2.gz AOYJBYSTEXXUPS-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO CC(C)[C@@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605542897 1034771300 /nfs/dbraw/zinc/77/13/00/1034771300.db2.gz BPQLGPZOMUQFDT-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO COc1ccccc1CC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456838209 1034781849 /nfs/dbraw/zinc/78/18/49/1034781849.db2.gz LPAFPTDOQWVFGR-UHFFFAOYSA-N 1 2 326.440 3.592 20 0 EHADLO CCCc1ccc(C(=O)CCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456869276 1034802628 /nfs/dbraw/zinc/80/26/28/1034802628.db2.gz YGKWRYYPHIMMPH-UHFFFAOYSA-N 1 2 338.451 3.930 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3nc(C(C)C)n4ccccc34)CC2)n1 ZINC000584474360 1034810498 /nfs/dbraw/zinc/81/04/98/1034810498.db2.gz OQBKNDYIKYLIKL-UHFFFAOYSA-N 1 2 339.443 3.529 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc3c(C(C)C)nn(C)c3s2)c[nH+]1 ZINC000456855067 1034812089 /nfs/dbraw/zinc/81/20/89/1034812089.db2.gz ZCUHPQMSXRQFFC-UHFFFAOYSA-N 1 2 342.468 3.700 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(Oc2nccs2)c1 ZINC000605661235 1034816307 /nfs/dbraw/zinc/81/63/07/1034816307.db2.gz MEWHUMGKUPEWOM-UHFFFAOYSA-N 1 2 336.376 3.835 20 0 EHADLO C/C(=C\C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000172237324 1034865459 /nfs/dbraw/zinc/86/54/59/1034865459.db2.gz NTWQDIBYCXVWLW-BMRADRMJSA-N 1 2 336.435 3.561 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000450907102 1034929748 /nfs/dbraw/zinc/92/97/48/1034929748.db2.gz JYLIZTFCICHBKW-UHFFFAOYSA-N 1 2 347.846 3.672 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000450907102 1034929752 /nfs/dbraw/zinc/92/97/52/1034929752.db2.gz JYLIZTFCICHBKW-UHFFFAOYSA-N 1 2 347.846 3.672 20 0 EHADLO CN(C)C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc(Cl)cc1 ZINC000628264966 1034994082 /nfs/dbraw/zinc/99/40/82/1034994082.db2.gz KHSBSVJDWZILML-IBGZPJMESA-N 1 2 340.858 3.676 20 0 EHADLO Cc1ccc(Cl)c(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000612503950 1035003916 /nfs/dbraw/zinc/00/39/16/1035003916.db2.gz IXUKIABKXXXDFQ-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)s1 ZINC000451039021 1035038845 /nfs/dbraw/zinc/03/88/45/1035038845.db2.gz BTRDCGLHUPGAPT-SFHVURJKSA-N 1 2 329.469 3.631 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)s1 ZINC000451039021 1035038849 /nfs/dbraw/zinc/03/88/49/1035038849.db2.gz BTRDCGLHUPGAPT-SFHVURJKSA-N 1 2 329.469 3.631 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451027417 1035046212 /nfs/dbraw/zinc/04/62/12/1035046212.db2.gz WGOLZIRMVKZDFO-QGZVFWFLSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451027417 1035046218 /nfs/dbraw/zinc/04/62/18/1035046218.db2.gz WGOLZIRMVKZDFO-QGZVFWFLSA-N 1 2 329.488 3.502 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000376023146 1035136904 /nfs/dbraw/zinc/13/69/04/1035136904.db2.gz IHGPPNWWLHFLKR-BPQIPLTHSA-N 1 2 329.488 3.784 20 0 EHADLO CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000584493410 1035147935 /nfs/dbraw/zinc/14/79/35/1035147935.db2.gz URNMWEIHLPCWHD-GOSISDBHSA-N 1 2 327.428 3.744 20 0 EHADLO CC[C@](C)(NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1nccs1 ZINC000376056136 1035193597 /nfs/dbraw/zinc/19/35/97/1035193597.db2.gz MQYXVDIKOBFTIS-XIKOKIGWSA-N 1 2 346.500 3.536 20 0 EHADLO CC[C@](C)(NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1nccs1 ZINC000376056136 1035193604 /nfs/dbraw/zinc/19/36/04/1035193604.db2.gz MQYXVDIKOBFTIS-XIKOKIGWSA-N 1 2 346.500 3.536 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](c1ccccc1)C1CC1)C2 ZINC000376055647 1035193686 /nfs/dbraw/zinc/19/36/86/1035193686.db2.gz KXPQLMSEIBQBPZ-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](c1ccccc1)C1CC1)CC2 ZINC000376055647 1035193688 /nfs/dbraw/zinc/19/36/88/1035193688.db2.gz KXPQLMSEIBQBPZ-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cn2c(=O)sc3c2CCCC3)cc1C ZINC000066079206 1035212784 /nfs/dbraw/zinc/21/27/84/1035212784.db2.gz TYVWCNKREWVFTB-UHFFFAOYSA-N 1 2 346.496 3.504 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cn2c(=O)sc3c2CCCC3)cc1C ZINC000066079206 1035212787 /nfs/dbraw/zinc/21/27/87/1035212787.db2.gz TYVWCNKREWVFTB-UHFFFAOYSA-N 1 2 346.496 3.504 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2sc(C)cc2Br)on1 ZINC000926700362 1035225643 /nfs/dbraw/zinc/22/56/43/1035225643.db2.gz BDOCTGQHTKXJND-MRVPVSSYSA-N 1 2 331.235 3.666 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000177627080 1035283082 /nfs/dbraw/zinc/28/30/82/1035283082.db2.gz SQKWZWVKTZSKRD-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000177627080 1035283085 /nfs/dbraw/zinc/28/30/85/1035283085.db2.gz SQKWZWVKTZSKRD-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO CSc1cccc(F)c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000376131517 1035310690 /nfs/dbraw/zinc/31/06/90/1035310690.db2.gz KBHGJKSVEAXPTP-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376180087 1035382420 /nfs/dbraw/zinc/38/24/20/1035382420.db2.gz DZOXRXNVYBMLCK-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000685839487 1035382730 /nfs/dbraw/zinc/38/27/30/1035382730.db2.gz RJVYXOHMFLXHCE-QGZVFWFLSA-N 1 2 339.483 3.949 20 0 EHADLO COCC1=CC[N@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000685843894 1035399239 /nfs/dbraw/zinc/39/92/39/1035399239.db2.gz JKENZVLHTVYCEP-UHFFFAOYSA-N 1 2 329.271 3.838 20 0 EHADLO COCC1=CC[N@@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000685843894 1035399243 /nfs/dbraw/zinc/39/92/43/1035399243.db2.gz JKENZVLHTVYCEP-UHFFFAOYSA-N 1 2 329.271 3.838 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137717 1035416984 /nfs/dbraw/zinc/41/69/84/1035416984.db2.gz DADHIVIODLRWHV-GGPKGHCWSA-N 1 2 348.437 3.963 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137717 1035416987 /nfs/dbraw/zinc/41/69/87/1035416987.db2.gz DADHIVIODLRWHV-GGPKGHCWSA-N 1 2 348.437 3.963 20 0 EHADLO CN(C)c1cc(COC(=O)Cc2c(Cl)cccc2Cl)cc[nH+]1 ZINC000755896617 1035432988 /nfs/dbraw/zinc/43/29/88/1035432988.db2.gz FCKFVSJMMDVJMT-UHFFFAOYSA-N 1 2 339.222 3.740 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613178902 1035442555 /nfs/dbraw/zinc/44/25/55/1035442555.db2.gz GUZKGTJCPBIHLU-QAPCUYQASA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613178902 1035442557 /nfs/dbraw/zinc/44/25/57/1035442557.db2.gz GUZKGTJCPBIHLU-QAPCUYQASA-N 1 2 344.842 3.514 20 0 EHADLO Cc1[nH+]ccn1CCCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080563 1035459942 /nfs/dbraw/zinc/45/99/42/1035459942.db2.gz ZZVDRLCKNLFSTK-UHFFFAOYSA-N 1 2 348.353 3.643 20 0 EHADLO C[C@H](c1cccc(N=c2[nH]c3ccccc3s2)c1)[NH+]1CCOCC1 ZINC000511462134 1035476744 /nfs/dbraw/zinc/47/67/44/1035476744.db2.gz LTWPRSASFYFEQH-CQSZACIVSA-N 1 2 339.464 3.855 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492231029 1035505169 /nfs/dbraw/zinc/50/51/69/1035505169.db2.gz GUOYMHHANNFPKB-DVQDXYAYSA-N 1 2 341.455 3.622 20 0 EHADLO Fc1ccc(/C=C/C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000501746964 1035509563 /nfs/dbraw/zinc/50/95/63/1035509563.db2.gz ZRFFAMVJMVPKCR-SNAWJCMRSA-N 1 2 334.398 3.654 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784900 1035520901 /nfs/dbraw/zinc/52/09/01/1035520901.db2.gz PLOKMZPTWMIYRZ-DLBZAZTESA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000429784900 1035520909 /nfs/dbraw/zinc/52/09/09/1035520909.db2.gz PLOKMZPTWMIYRZ-DLBZAZTESA-N 1 2 343.471 3.604 20 0 EHADLO O=C(/C=C/c1ccncc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492248243 1035524851 /nfs/dbraw/zinc/52/48/51/1035524851.db2.gz LDIXJVFRSMSHSO-BQYQJAHWSA-N 1 2 342.402 3.649 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(-c3ccccn3)s2)n1-c1ccccc1 ZINC000185740554 1035526346 /nfs/dbraw/zinc/52/63/46/1035526346.db2.gz DWJZJICBQUJLKI-UHFFFAOYSA-N 1 2 348.435 3.706 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000613305678 1035529112 /nfs/dbraw/zinc/52/91/12/1035529112.db2.gz OKNBRCCMSJKZOJ-UHFFFAOYSA-N 1 2 348.450 3.674 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cnc(CC(C)C)s1 ZINC000185848151 1035549257 /nfs/dbraw/zinc/54/92/57/1035549257.db2.gz GMBNFTMRAVOYIZ-UHFFFAOYSA-N 1 2 344.484 3.950 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000463529827 1035588424 /nfs/dbraw/zinc/58/84/24/1035588424.db2.gz YVWFOSNUOOHHGJ-UHFFFAOYSA-N 1 2 345.830 3.761 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000669233112 1035619311 /nfs/dbraw/zinc/61/93/11/1035619311.db2.gz CMKFPWQIYFVANY-LSNQBURNSA-N 1 2 343.858 3.691 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)CCc3cccc(F)c3)ccc2[nH+]1 ZINC000463612659 1035680911 /nfs/dbraw/zinc/68/09/11/1035680911.db2.gz NFXFICSGYROJKG-ZDUSSCGKSA-N 1 2 325.387 3.989 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000540811136 1035702962 /nfs/dbraw/zinc/70/29/62/1035702962.db2.gz JDBATVLCHXBSIV-PKOBYXMFSA-N 1 2 340.471 3.641 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000613387904 1035718315 /nfs/dbraw/zinc/71/83/15/1035718315.db2.gz RWWMOVMDYRQUDK-CQSZACIVSA-N 1 2 326.425 3.703 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000613387904 1035718335 /nfs/dbraw/zinc/71/83/35/1035718335.db2.gz RWWMOVMDYRQUDK-CQSZACIVSA-N 1 2 326.425 3.703 20 0 EHADLO COC(=O)CCC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186857682 1035730096 /nfs/dbraw/zinc/73/00/96/1035730096.db2.gz FDHMRFFFQOZCNW-CQSZACIVSA-N 1 2 347.402 3.749 20 0 EHADLO COC(=O)CCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186857682 1035730115 /nfs/dbraw/zinc/73/01/15/1035730115.db2.gz FDHMRFFFQOZCNW-CQSZACIVSA-N 1 2 347.402 3.749 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000105081128 1035753813 /nfs/dbraw/zinc/75/38/13/1035753813.db2.gz LCIVXVMHNOCBPE-CQSZACIVSA-N 1 2 346.862 3.988 20 0 EHADLO Cc1ccc(C[S@](=O)CCCOCCc2ccccc2)c(C)[nH+]1 ZINC000187145463 1035767845 /nfs/dbraw/zinc/76/78/45/1035767845.db2.gz SOVCGWTUZXTGNC-HSZRJFAPSA-N 1 2 331.481 3.597 20 0 EHADLO CN(CCC(=O)Nc1cc(Cl)cc(Cl)c1O)c1cc[nH+]cc1 ZINC000540927853 1035798373 /nfs/dbraw/zinc/79/83/73/1035798373.db2.gz IZCCDKGNBJJEIX-UHFFFAOYSA-N 1 2 340.210 3.559 20 0 EHADLO Cc1csc2nc(C[N@@H+](C)[C@H](C)c3cc(F)ccc3F)cc(=O)n12 ZINC000053125953 1035813895 /nfs/dbraw/zinc/81/38/95/1035813895.db2.gz UEECSGBPFCNRRZ-LLVKDONJSA-N 1 2 349.406 3.536 20 0 EHADLO Cc1csc2nc(C[N@H+](C)[C@H](C)c3cc(F)ccc3F)cc(=O)n12 ZINC000053125953 1035813910 /nfs/dbraw/zinc/81/39/10/1035813910.db2.gz UEECSGBPFCNRRZ-LLVKDONJSA-N 1 2 349.406 3.536 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000187433626 1035822981 /nfs/dbraw/zinc/82/29/81/1035822981.db2.gz KCCKYVNJDSICKZ-DLBZAZTESA-N 1 2 332.492 3.835 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2cc(Br)ccc2F)o1 ZINC000291659058 1035844658 /nfs/dbraw/zinc/84/46/58/1035844658.db2.gz BHAXOWCFUBHMCA-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588273092 1035873420 /nfs/dbraw/zinc/87/34/20/1035873420.db2.gz WGYOWNSVPMDWOS-HNNXBMFYSA-N 1 2 330.457 3.512 20 0 EHADLO CC1(C)CC[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000540984837 1035877737 /nfs/dbraw/zinc/87/77/37/1035877737.db2.gz APWRJCLXFMVSDA-HNNXBMFYSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)nc1C ZINC000414175378 1035895572 /nfs/dbraw/zinc/89/55/72/1035895572.db2.gz ZDLBPSYQMNXFQK-NSHDSACASA-N 1 2 338.224 3.846 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3ccccc3F)n2)c(C)c[nH+]1 ZINC000535036538 1035917867 /nfs/dbraw/zinc/91/78/67/1035917867.db2.gz SXMZVSOTTBVEGJ-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000541054090 1035949662 /nfs/dbraw/zinc/94/96/62/1035949662.db2.gz KZROOKRNXPECMO-KRWDZBQOSA-N 1 2 344.361 3.751 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000613462333 1035960317 /nfs/dbraw/zinc/96/03/17/1035960317.db2.gz MTBRTXCTGZVPLB-GFCCVEGCSA-N 1 2 329.271 3.684 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000613462333 1035960333 /nfs/dbraw/zinc/96/03/33/1035960333.db2.gz MTBRTXCTGZVPLB-GFCCVEGCSA-N 1 2 329.271 3.684 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)cc1F ZINC000613464343 1035962907 /nfs/dbraw/zinc/96/29/07/1035962907.db2.gz PXGDQPGEMUWPLF-CQSZACIVSA-N 1 2 332.394 3.582 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)cc1F ZINC000613464343 1035962919 /nfs/dbraw/zinc/96/29/19/1035962919.db2.gz PXGDQPGEMUWPLF-CQSZACIVSA-N 1 2 332.394 3.582 20 0 EHADLO Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000535059616 1035968140 /nfs/dbraw/zinc/96/81/40/1035968140.db2.gz PAPKEQFDBDEBGE-UHFFFAOYSA-N 1 2 325.456 3.870 20 0 EHADLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000586288304 1035987151 /nfs/dbraw/zinc/98/71/51/1035987151.db2.gz QLJDQVMJWZTSJJ-SFHVURJKSA-N 1 2 349.544 3.934 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000535068600 1035988140 /nfs/dbraw/zinc/98/81/40/1035988140.db2.gz NQVJYAJGFYFGLB-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO CCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000492575412 1036009319 /nfs/dbraw/zinc/00/93/19/1036009319.db2.gz KEDPMJGTMQJANT-KMDWOBIYSA-N 1 2 339.439 3.536 20 0 EHADLO CCn1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)n1 ZINC000414200964 1036044228 /nfs/dbraw/zinc/04/42/28/1036044228.db2.gz BMVUJZSDTJAJKY-LLVKDONJSA-N 1 2 338.249 3.525 20 0 EHADLO CCN(CC(C)(C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000464020338 1036049034 /nfs/dbraw/zinc/04/90/34/1036049034.db2.gz NDILQRDEULUUPO-UHFFFAOYSA-N 1 2 328.460 3.509 20 0 EHADLO CC1(c2ccccc2)CC[NH+](Cn2ncn(C3CC3)c2=S)CC1 ZINC000156905284 1036066903 /nfs/dbraw/zinc/06/69/03/1036066903.db2.gz QTECTFHEXWEPST-UHFFFAOYSA-N 1 2 328.485 3.760 20 0 EHADLO O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCCc1[nH]cc[nH+]1 ZINC000174758961 1036094910 /nfs/dbraw/zinc/09/49/10/1036094910.db2.gz ZPIDMTISUONPFB-UHFFFAOYSA-N 1 2 345.446 3.663 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH+]1 ZINC000588857744 1036146585 /nfs/dbraw/zinc/14/65/85/1036146585.db2.gz JNSYZHGZZQCSJT-CHWSQXEVSA-N 1 2 325.334 3.950 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)nc(N)c2c1C ZINC000321697356 1036173659 /nfs/dbraw/zinc/17/36/59/1036173659.db2.gz SSDFMYVHFPZLBM-SNVBAGLBSA-N 1 2 344.406 3.665 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)nc(N)c2c1C ZINC000321697356 1036173664 /nfs/dbraw/zinc/17/36/64/1036173664.db2.gz SSDFMYVHFPZLBM-SNVBAGLBSA-N 1 2 344.406 3.665 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccccc3F)n2C)c1 ZINC000535254576 1036270949 /nfs/dbraw/zinc/27/09/49/1036270949.db2.gz GWXVEKFRDOTVFI-UHFFFAOYSA-N 1 2 344.415 3.626 20 0 EHADLO CO[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000170819874 1036273978 /nfs/dbraw/zinc/27/39/78/1036273978.db2.gz LGCABFFXVVWUAO-INIZCTEOSA-N 1 2 346.496 3.508 20 0 EHADLO CO[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000170819874 1036273996 /nfs/dbraw/zinc/27/39/96/1036273996.db2.gz LGCABFFXVVWUAO-INIZCTEOSA-N 1 2 346.496 3.508 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414257454 1036313599 /nfs/dbraw/zinc/31/35/99/1036313599.db2.gz OSFJAJISEAKXRH-LLVKDONJSA-N 1 2 325.334 3.745 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)s1 ZINC000892583022 1036315485 /nfs/dbraw/zinc/31/54/85/1036315485.db2.gz QFQPJSWXOSMVLB-UHFFFAOYSA-N 1 2 340.452 3.940 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(F)c(C)c1 ZINC000492824516 1036324806 /nfs/dbraw/zinc/32/48/06/1036324806.db2.gz FJUFASCWEPYJDW-CSKARUKUSA-N 1 2 343.446 3.845 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000584509077 1036347150 /nfs/dbraw/zinc/34/71/50/1036347150.db2.gz JPHSOQKGBWIUGX-SOLBZPMBSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C2CCC2)o1 ZINC000414267359 1036351323 /nfs/dbraw/zinc/35/13/23/1036351323.db2.gz WOVJVYVQPITJNQ-SFHVURJKSA-N 1 2 333.453 3.623 20 0 EHADLO FC(F)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000492836971 1036351531 /nfs/dbraw/zinc/35/15/31/1036351531.db2.gz PKJFMXOEDJCLFI-RCCFBDPRSA-N 1 2 332.394 3.768 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000191241119 1036353988 /nfs/dbraw/zinc/35/39/88/1036353988.db2.gz DFVBQEHRAQGAMN-OAHLLOKOSA-N 1 2 342.405 3.700 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000191241119 1036354000 /nfs/dbraw/zinc/35/40/00/1036354000.db2.gz DFVBQEHRAQGAMN-OAHLLOKOSA-N 1 2 342.405 3.700 20 0 EHADLO CCCOc1cccc(CNc2[nH+]c3ccccc3n2CCOC)c1 ZINC000464352816 1036365913 /nfs/dbraw/zinc/36/59/13/1036365913.db2.gz DNZMSGZUDIVZEQ-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)(C)C ZINC000191337365 1036369786 /nfs/dbraw/zinc/36/97/86/1036369786.db2.gz WESWKMZRKPFFOE-CJNGLKHVSA-N 1 2 344.507 3.847 20 0 EHADLO Cn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccco1 ZINC000191465704 1036386972 /nfs/dbraw/zinc/38/69/72/1036386972.db2.gz WOPWDGXUORHDFW-UHFFFAOYSA-N 1 2 337.408 3.553 20 0 EHADLO Clc1cc2c(c(C[NH2+]Cc3nccn3-c3ccccc3)c1)OCC2 ZINC000191592129 1036418288 /nfs/dbraw/zinc/41/82/88/1036418288.db2.gz XWKOUPTYRGTIIT-UHFFFAOYSA-N 1 2 339.826 3.750 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000572647057 1036445750 /nfs/dbraw/zinc/44/57/50/1036445750.db2.gz XYKIQAJUYIRFEA-OLVNSHJNSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000572647057 1036445764 /nfs/dbraw/zinc/44/57/64/1036445764.db2.gz XYKIQAJUYIRFEA-OLVNSHJNSA-N 1 2 345.430 3.952 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2cccc(Cl)c2)CCC1 ZINC000120308858 1036451190 /nfs/dbraw/zinc/45/11/90/1036451190.db2.gz OWPQHENONUBNPI-UHFFFAOYSA-N 1 2 343.858 3.822 20 0 EHADLO CC(C)SCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000572664441 1036452014 /nfs/dbraw/zinc/45/20/14/1036452014.db2.gz HFORZEQHXPTRRW-UHFFFAOYSA-N 1 2 348.537 3.801 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191981394 1036469134 /nfs/dbraw/zinc/46/91/34/1036469134.db2.gz JZCRMUIVSLFJIF-HNNXBMFYSA-N 1 2 333.439 3.868 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191981394 1036469150 /nfs/dbraw/zinc/46/91/50/1036469150.db2.gz JZCRMUIVSLFJIF-HNNXBMFYSA-N 1 2 333.439 3.868 20 0 EHADLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000541587352 1036486217 /nfs/dbraw/zinc/48/62/17/1036486217.db2.gz CRBAAEFGGFCNHS-UHFFFAOYSA-N 1 2 344.480 3.912 20 0 EHADLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000541587352 1036486233 /nfs/dbraw/zinc/48/62/33/1036486233.db2.gz CRBAAEFGGFCNHS-UHFFFAOYSA-N 1 2 344.480 3.912 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1nc(-c2cccnc2)no1 ZINC000192353161 1036498775 /nfs/dbraw/zinc/49/87/75/1036498775.db2.gz CDAWZMADVDOPPN-WBMJQRKESA-N 1 2 336.395 3.565 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000509293984 1036514693 /nfs/dbraw/zinc/51/46/93/1036514693.db2.gz KUYMECIEYPJCCL-MSOLQXFVSA-N 1 2 344.503 3.696 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000572878895 1036542490 /nfs/dbraw/zinc/54/24/90/1036542490.db2.gz HWMZOXBDZNGOTK-HZPDHXFCSA-N 1 2 345.361 3.528 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000572878895 1036542495 /nfs/dbraw/zinc/54/24/95/1036542495.db2.gz HWMZOXBDZNGOTK-HZPDHXFCSA-N 1 2 345.361 3.528 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000589599097 1036564406 /nfs/dbraw/zinc/56/44/06/1036564406.db2.gz NDUHLGNCZGJYIR-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000589599097 1036564413 /nfs/dbraw/zinc/56/44/13/1036564413.db2.gz NDUHLGNCZGJYIR-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000464586165 1036580798 /nfs/dbraw/zinc/58/07/98/1036580798.db2.gz IEQYGUAQBCNFLV-OAHLLOKOSA-N 1 2 333.476 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000464586165 1036580808 /nfs/dbraw/zinc/58/08/08/1036580808.db2.gz IEQYGUAQBCNFLV-OAHLLOKOSA-N 1 2 333.476 3.552 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC(C)(C)O1 ZINC000541769873 1036640580 /nfs/dbraw/zinc/64/05/80/1036640580.db2.gz HFKWQYQOMPUIPA-LLVKDONJSA-N 1 2 335.341 3.766 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC(C)(C)O1 ZINC000541769873 1036640599 /nfs/dbraw/zinc/64/05/99/1036640599.db2.gz HFKWQYQOMPUIPA-LLVKDONJSA-N 1 2 335.341 3.766 20 0 EHADLO Cc1cc(N)nc(SCCCOc2ccc3ccccc3c2)[nH+]1 ZINC000589850446 1036642062 /nfs/dbraw/zinc/64/20/62/1036642062.db2.gz RFVWFSAXGHFZSI-UHFFFAOYSA-N 1 2 325.437 3.912 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(Cl)s1 ZINC000302589075 1036643502 /nfs/dbraw/zinc/64/35/02/1036643502.db2.gz HIPDCXKQYYZQHV-TZMCWYRMSA-N 1 2 328.909 3.918 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(Cl)s1 ZINC000302589075 1036643510 /nfs/dbraw/zinc/64/35/10/1036643510.db2.gz HIPDCXKQYYZQHV-TZMCWYRMSA-N 1 2 328.909 3.918 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cccc4c3OC(F)(F)O4)CCC2)n1 ZINC000414321498 1036655844 /nfs/dbraw/zinc/65/58/44/1036655844.db2.gz QWUZJTWCPAYQEZ-UHFFFAOYSA-N 1 2 338.379 3.942 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000170717096 1036700202 /nfs/dbraw/zinc/70/02/02/1036700202.db2.gz QXEKNCMMNDBAHP-LLVKDONJSA-N 1 2 329.297 3.650 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000170717096 1036700224 /nfs/dbraw/zinc/70/02/24/1036700224.db2.gz QXEKNCMMNDBAHP-LLVKDONJSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725721 1036707561 /nfs/dbraw/zinc/70/75/61/1036707561.db2.gz OXUMYORDEIUJGO-MLGOLLRUSA-N 1 2 347.821 3.896 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725721 1036707576 /nfs/dbraw/zinc/70/75/76/1036707576.db2.gz OXUMYORDEIUJGO-MLGOLLRUSA-N 1 2 347.821 3.896 20 0 EHADLO CO[C@@H](C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066470 1036709705 /nfs/dbraw/zinc/70/97/05/1036709705.db2.gz YVGXYLDHTLMSKR-MOPGFXCFSA-N 1 2 348.450 3.996 20 0 EHADLO CO[C@@H](C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066470 1036709724 /nfs/dbraw/zinc/70/97/24/1036709724.db2.gz YVGXYLDHTLMSKR-MOPGFXCFSA-N 1 2 348.450 3.996 20 0 EHADLO CO[C@H](C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066472 1036710930 /nfs/dbraw/zinc/71/09/30/1036710930.db2.gz YVGXYLDHTLMSKR-RBUKOAKNSA-N 1 2 348.450 3.996 20 0 EHADLO CO[C@H](C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066472 1036710945 /nfs/dbraw/zinc/71/09/45/1036710945.db2.gz YVGXYLDHTLMSKR-RBUKOAKNSA-N 1 2 348.450 3.996 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590102524 1036753349 /nfs/dbraw/zinc/75/33/49/1036753349.db2.gz VCSJAEJJCJOFBX-ROUUACIJSA-N 1 2 344.503 3.518 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590100780 1036753961 /nfs/dbraw/zinc/75/39/61/1036753961.db2.gz MPIQWFJMXFULHS-QZTJIDSGSA-N 1 2 344.503 3.840 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000590102179 1036754132 /nfs/dbraw/zinc/75/41/32/1036754132.db2.gz WUFLEGHOXAMNHW-GOSISDBHSA-N 1 2 340.471 3.594 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000504230571 1036797396 /nfs/dbraw/zinc/79/73/96/1036797396.db2.gz UGUZAFREXDFBCH-GOSISDBHSA-N 1 2 341.386 3.829 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000504230571 1036797413 /nfs/dbraw/zinc/79/74/13/1036797413.db2.gz UGUZAFREXDFBCH-GOSISDBHSA-N 1 2 341.386 3.829 20 0 EHADLO Cn1nc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c2ccccc21 ZINC000685916236 1036830766 /nfs/dbraw/zinc/83/07/66/1036830766.db2.gz VYFAQIUBNJPEOM-UHFFFAOYSA-N 1 2 336.317 3.522 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@](C)(C(F)F)O1 ZINC000668826030 1036841503 /nfs/dbraw/zinc/84/15/03/1036841503.db2.gz ZXSIODPMZKBGHT-ACJLOTCBSA-N 1 2 349.381 3.513 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@](C)(C(F)F)O1 ZINC000668826030 1036841523 /nfs/dbraw/zinc/84/15/23/1036841523.db2.gz ZXSIODPMZKBGHT-ACJLOTCBSA-N 1 2 349.381 3.513 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000103592821 1036949176 /nfs/dbraw/zinc/94/91/76/1036949176.db2.gz PDAZWDMBZNCCFP-OAHLLOKOSA-N 1 2 346.500 3.834 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000542000177 1036964341 /nfs/dbraw/zinc/96/43/41/1036964341.db2.gz IWIGZFGYTPWZPL-JTQLQIEISA-N 1 2 349.315 3.781 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000542000177 1036964358 /nfs/dbraw/zinc/96/43/58/1036964358.db2.gz IWIGZFGYTPWZPL-JTQLQIEISA-N 1 2 349.315 3.781 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000249777465 1036971843 /nfs/dbraw/zinc/97/18/43/1036971843.db2.gz KQTJVVHIVXWCDF-GBESFXJTSA-N 1 2 347.499 3.592 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590726258 1037003934 /nfs/dbraw/zinc/00/39/34/1037003934.db2.gz AJTKVYMUEOBPOO-FUHWJXTLSA-N 1 2 341.455 3.638 20 0 EHADLO CCCCOc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178185990 1037007673 /nfs/dbraw/zinc/00/76/73/1037007673.db2.gz UXZBENQSNRZOQD-UHFFFAOYSA-N 1 2 338.411 3.835 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000590727287 1037007999 /nfs/dbraw/zinc/00/79/99/1037007999.db2.gz IXZSCRYITOVCLB-LJQANCHMSA-N 1 2 340.471 3.595 20 0 EHADLO COc1cccc(NC(=O)[C@H]([NH2+]Cc2cccnc2)c2ccccc2)c1 ZINC000007224783 1037029170 /nfs/dbraw/zinc/02/91/70/1037029170.db2.gz NXUKPUKVWHHHOV-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO COc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000590731362 1037030994 /nfs/dbraw/zinc/03/09/94/1037030994.db2.gz BOECILQQEYDIFI-OAHLLOKOSA-N 1 2 335.407 3.522 20 0 EHADLO CC(C)[C@H](C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178409352 1037038072 /nfs/dbraw/zinc/03/80/72/1037038072.db2.gz ZPBGLNDARUEEBR-AYOQOUSVSA-N 1 2 340.471 3.703 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000462504021 1037051977 /nfs/dbraw/zinc/05/19/77/1037051977.db2.gz MCJXILOGVSWCPT-SZVBFZGTSA-N 1 2 340.471 3.531 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178526883 1037057604 /nfs/dbraw/zinc/05/76/04/1037057604.db2.gz PITLCUAQKBTJDN-RYUDHWBXSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178526883 1037057615 /nfs/dbraw/zinc/05/76/15/1037057615.db2.gz PITLCUAQKBTJDN-RYUDHWBXSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178526896 1037058172 /nfs/dbraw/zinc/05/81/72/1037058172.db2.gz PITLCUAQKBTJDN-NEPJUHHUSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178526896 1037058190 /nfs/dbraw/zinc/05/81/90/1037058190.db2.gz PITLCUAQKBTJDN-NEPJUHHUSA-N 1 2 349.456 3.523 20 0 EHADLO Cn1nc(C[NH2+][C@H](c2ccccc2)c2cccnc2)c2ccccc21 ZINC000590798012 1037064183 /nfs/dbraw/zinc/06/41/83/1037064183.db2.gz YASNGRKEAQGLGJ-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590799548 1037064305 /nfs/dbraw/zinc/06/43/05/1037064305.db2.gz GFFQPYXOVHHMCD-GFCCVEGCSA-N 1 2 338.333 3.771 20 0 EHADLO CC1(C)C[C@]1(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451844 1037066542 /nfs/dbraw/zinc/06/65/42/1037066542.db2.gz PVYXLWPBEFRJGF-FQEVSTJZSA-N 1 2 336.439 3.912 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000590892141 1037098456 /nfs/dbraw/zinc/09/84/56/1037098456.db2.gz BNQDOJCUIIDVJL-UHFFFAOYSA-N 1 2 329.469 3.667 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000590892141 1037098470 /nfs/dbraw/zinc/09/84/70/1037098470.db2.gz BNQDOJCUIIDVJL-UHFFFAOYSA-N 1 2 329.469 3.667 20 0 EHADLO c1cn(CCc2nc(-c3ccccc3OCc3ccccc3)no2)c[nH+]1 ZINC000504858399 1037099092 /nfs/dbraw/zinc/09/90/92/1037099092.db2.gz NRLHZBIBTSZKQO-UHFFFAOYSA-N 1 2 346.390 3.755 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000590871149 1037107682 /nfs/dbraw/zinc/10/76/82/1037107682.db2.gz RFEAEVJFPDWGRK-MSOLQXFVSA-N 1 2 332.492 3.979 20 0 EHADLO O=C(c1cnc(C2CC2)s1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542168462 1037130495 /nfs/dbraw/zinc/13/04/95/1037130495.db2.gz UYIHXGSZIUHECG-UHFFFAOYSA-N 1 2 344.484 3.550 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)c(C)c[nH+]1 ZINC000666495725 1037150699 /nfs/dbraw/zinc/15/06/99/1037150699.db2.gz BBQPLLCQSBVWBL-HNNXBMFYSA-N 1 2 333.338 3.551 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007926541 1037156737 /nfs/dbraw/zinc/15/67/37/1037156737.db2.gz TZPIBMVSYVAFPD-LLVKDONJSA-N 1 2 343.408 3.720 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007926541 1037156756 /nfs/dbraw/zinc/15/67/56/1037156756.db2.gz TZPIBMVSYVAFPD-LLVKDONJSA-N 1 2 343.408 3.720 20 0 EHADLO O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180779518 1037173811 /nfs/dbraw/zinc/17/38/11/1037173811.db2.gz ALHLSTZIDXUJNA-QGZVFWFLSA-N 1 2 347.418 3.556 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2)CC2CCC2)s1 ZINC000414383060 1037174581 /nfs/dbraw/zinc/17/45/81/1037174581.db2.gz QPUZQVOXISJYDH-UHFFFAOYSA-N 1 2 349.521 3.954 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)CC2CCC2)s1 ZINC000414383060 1037174594 /nfs/dbraw/zinc/17/45/94/1037174594.db2.gz QPUZQVOXISJYDH-UHFFFAOYSA-N 1 2 349.521 3.954 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539811318 1037225084 /nfs/dbraw/zinc/22/50/84/1037225084.db2.gz URLKKJNBNCDAKE-UHFFFAOYSA-N 1 2 336.395 3.615 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)[C@H](C)C2 ZINC000539813217 1037230506 /nfs/dbraw/zinc/23/05/06/1037230506.db2.gz ALLGZCBNXNLNHZ-BFUOFWGJSA-N 1 2 336.414 3.942 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)[C@H](C)C2 ZINC000539813217 1037230515 /nfs/dbraw/zinc/23/05/15/1037230515.db2.gz ALLGZCBNXNLNHZ-BFUOFWGJSA-N 1 2 336.414 3.942 20 0 EHADLO C[N@H+](Cc1ccc(Cl)o1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539829535 1037256130 /nfs/dbraw/zinc/25/61/30/1037256130.db2.gz PCXOEGCNOGEIHS-CQSZACIVSA-N 1 2 339.222 3.824 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)o1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539829535 1037256138 /nfs/dbraw/zinc/25/61/38/1037256138.db2.gz PCXOEGCNOGEIHS-CQSZACIVSA-N 1 2 339.222 3.824 20 0 EHADLO CC(C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000176902716 1037258553 /nfs/dbraw/zinc/25/85/53/1037258553.db2.gz GIXKITDOMDXSFU-UHFFFAOYSA-N 1 2 341.361 3.816 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1F ZINC000591249569 1037270198 /nfs/dbraw/zinc/27/01/98/1037270198.db2.gz BQIOVIFSWCIBFN-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(CC)nc1 ZINC000414390450 1037273852 /nfs/dbraw/zinc/27/38/52/1037273852.db2.gz XLLDULPZDHLJNS-UHFFFAOYSA-N 1 2 346.862 3.543 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(CC)nc1 ZINC000414390450 1037273865 /nfs/dbraw/zinc/27/38/65/1037273865.db2.gz XLLDULPZDHLJNS-UHFFFAOYSA-N 1 2 346.862 3.543 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000666605309 1037313449 /nfs/dbraw/zinc/31/34/49/1037313449.db2.gz OKFSWXVBXFJQPX-ZACQAIPSSA-N 1 2 343.446 3.956 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532452830 1037316693 /nfs/dbraw/zinc/31/66/93/1037316693.db2.gz DWPFFGIECFAIIC-MGPUTAFESA-N 1 2 333.435 3.891 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](CC(C)C)C3)cn2c1 ZINC000465299381 1037328906 /nfs/dbraw/zinc/32/89/06/1037328906.db2.gz AJYCRAGRSSLPFG-INIZCTEOSA-N 1 2 345.512 3.771 20 0 EHADLO CC1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)CC1 ZINC001168199314 1037343156 /nfs/dbraw/zinc/34/31/56/1037343156.db2.gz OONHTQDLVKYUGY-PVARCSIZSA-N 1 2 333.472 3.813 20 0 EHADLO Brc1cncnc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000532463687 1037377947 /nfs/dbraw/zinc/37/79/47/1037377947.db2.gz IYJNNOMXHBJCPA-UHFFFAOYSA-N 1 2 334.221 3.732 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000177138133 1037389150 /nfs/dbraw/zinc/38/91/50/1037389150.db2.gz XYCKMFAOCBWESB-MAUKXSAKSA-N 1 2 346.496 3.684 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000177138133 1037389168 /nfs/dbraw/zinc/38/91/68/1037389168.db2.gz XYCKMFAOCBWESB-MAUKXSAKSA-N 1 2 346.496 3.684 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC(C)C)cc1 ZINC000532469301 1037389943 /nfs/dbraw/zinc/38/99/43/1037389943.db2.gz YPMHCVJRRCOEMI-UHFFFAOYSA-N 1 2 326.440 3.853 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OC(C)C)cc1 ZINC000532469301 1037389960 /nfs/dbraw/zinc/38/99/60/1037389960.db2.gz YPMHCVJRRCOEMI-UHFFFAOYSA-N 1 2 326.440 3.853 20 0 EHADLO Brc1ccsc1C[NH+]1CCN(c2cccs2)CC1 ZINC000462786704 1037395987 /nfs/dbraw/zinc/39/59/87/1037395987.db2.gz AXGVHWQZHCKIJB-UHFFFAOYSA-N 1 2 343.315 3.894 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)c3)n2)C1 ZINC000028683184 1037430090 /nfs/dbraw/zinc/43/00/90/1037430090.db2.gz QMGQGAFZMCLEGY-LBPRGKRZSA-N 1 2 333.432 3.766 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)c3)n2)C1 ZINC000028683184 1037430098 /nfs/dbraw/zinc/43/00/98/1037430098.db2.gz QMGQGAFZMCLEGY-LBPRGKRZSA-N 1 2 333.432 3.766 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3cccnc3Cl)CC2)cc1 ZINC000171076316 1037440474 /nfs/dbraw/zinc/44/04/74/1037440474.db2.gz JENNFALBKPNZTD-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1cscn1 ZINC000573339240 1037450729 /nfs/dbraw/zinc/45/07/29/1037450729.db2.gz JTCGAKFQIANQEJ-WDEREUQCSA-N 1 2 333.848 3.789 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491438118 1037469962 /nfs/dbraw/zinc/46/99/62/1037469962.db2.gz ZPSUBASIBSJRND-BMWLXYDHSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000493593823 1037478700 /nfs/dbraw/zinc/47/87/00/1037478700.db2.gz GQIDNSCOWKAMMV-FVNWOWOISA-N 1 2 347.422 3.567 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)NCc1cn2c([nH+]1)CCCC2 ZINC000491463901 1037490180 /nfs/dbraw/zinc/49/01/80/1037490180.db2.gz LRUIVJMVAYXBOV-QXMHVHEDSA-N 1 2 331.419 3.702 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000505604860 1037491529 /nfs/dbraw/zinc/49/15/29/1037491529.db2.gz CMFPAHHRIYQEEG-UHFFFAOYSA-N 1 2 341.382 3.607 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000505604860 1037491537 /nfs/dbraw/zinc/49/15/37/1037491537.db2.gz CMFPAHHRIYQEEG-UHFFFAOYSA-N 1 2 341.382 3.607 20 0 EHADLO C[N@@H+]1CCO[C@H](c2nc(-c3cccc(Oc4ccccc4)c3)no2)C1 ZINC000669412578 1037514065 /nfs/dbraw/zinc/51/40/65/1037514065.db2.gz UOSWENHWOWZXMX-KRWDZBQOSA-N 1 2 337.379 3.532 20 0 EHADLO C[N@H+]1CCO[C@H](c2nc(-c3cccc(Oc4ccccc4)c3)no2)C1 ZINC000669412578 1037514071 /nfs/dbraw/zinc/51/40/71/1037514071.db2.gz UOSWENHWOWZXMX-KRWDZBQOSA-N 1 2 337.379 3.532 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)cc1C ZINC000760841860 1037514988 /nfs/dbraw/zinc/51/49/88/1037514988.db2.gz AMRUOLUJXJVDCZ-MRXNPFEDSA-N 1 2 325.456 3.880 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)cc1C ZINC000760841860 1037514996 /nfs/dbraw/zinc/51/49/96/1037514996.db2.gz AMRUOLUJXJVDCZ-MRXNPFEDSA-N 1 2 325.456 3.880 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591590435 1037533893 /nfs/dbraw/zinc/53/38/93/1037533893.db2.gz HMJGOZQIEJIJKW-SJORKVTESA-N 1 2 332.492 3.932 20 0 EHADLO Cc1cc([C@H]2CCCN2C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000491519027 1037534443 /nfs/dbraw/zinc/53/44/43/1037534443.db2.gz GPMUZYOAWAHBSL-OTIVFRFGSA-N 1 2 348.406 3.546 20 0 EHADLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc[nH]1 ZINC000760863922 1037535055 /nfs/dbraw/zinc/53/50/55/1037535055.db2.gz COLNDIJDZKKXIC-KYNGSXCRSA-N 1 2 349.438 3.500 20 0 EHADLO FC(F)(F)COCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490170 1037591225 /nfs/dbraw/zinc/59/12/25/1037591225.db2.gz HGAHLXQZILYDRC-AWEZNQCLSA-N 1 2 337.769 3.682 20 0 EHADLO FC(F)(F)COCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490170 1037591239 /nfs/dbraw/zinc/59/12/39/1037591239.db2.gz HGAHLXQZILYDRC-AWEZNQCLSA-N 1 2 337.769 3.682 20 0 EHADLO Cc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)c(N(C)C)[nH+]1 ZINC000152748630 1037618116 /nfs/dbraw/zinc/61/81/16/1037618116.db2.gz YUWLDEKRMYMBPR-UHFFFAOYSA-N 1 2 340.358 3.502 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000431854523 1037640161 /nfs/dbraw/zinc/64/01/61/1037640161.db2.gz OVEOFZXQOIKKKR-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000591810711 1037652294 /nfs/dbraw/zinc/65/22/94/1037652294.db2.gz IHVBBXQPUXKFRR-LJQANCHMSA-N 1 2 349.434 3.624 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000591810711 1037652306 /nfs/dbraw/zinc/65/23/06/1037652306.db2.gz IHVBBXQPUXKFRR-LJQANCHMSA-N 1 2 349.434 3.624 20 0 EHADLO c1csc(-c2noc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)n2)c1 ZINC000591812383 1037652895 /nfs/dbraw/zinc/65/28/95/1037652895.db2.gz XWFBRXAUOLHYMC-OAHLLOKOSA-N 1 2 341.436 3.762 20 0 EHADLO c1csc(-c2noc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)n2)c1 ZINC000591812383 1037652911 /nfs/dbraw/zinc/65/29/11/1037652911.db2.gz XWFBRXAUOLHYMC-OAHLLOKOSA-N 1 2 341.436 3.762 20 0 EHADLO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)cc2)n1 ZINC000152756410 1037653263 /nfs/dbraw/zinc/65/32/63/1037653263.db2.gz CEUVGHYHUFFXQI-UHFFFAOYSA-N 1 2 349.438 3.511 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000463037150 1037675552 /nfs/dbraw/zinc/67/55/52/1037675552.db2.gz MJYOWHDBWNIXSP-QGZVFWFLSA-N 1 2 342.508 3.895 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)c(N(C)C)[nH+]1 ZINC000152786453 1037697399 /nfs/dbraw/zinc/69/73/99/1037697399.db2.gz ZQSYMXXTBCQWNJ-UHFFFAOYSA-N 1 2 348.406 3.896 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000491828977 1037698161 /nfs/dbraw/zinc/69/81/61/1037698161.db2.gz WBTAXNZEEUZJMP-SXSDINLZSA-N 1 2 341.455 3.670 20 0 EHADLO Cc1ccc(O[C@@H](C)CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000463067971 1037728924 /nfs/dbraw/zinc/72/89/24/1037728924.db2.gz FHDZIEJPEFEDTI-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1ccc(O[C@@H](C)CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000463067971 1037728942 /nfs/dbraw/zinc/72/89/42/1037728942.db2.gz FHDZIEJPEFEDTI-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO O=C(/C=C\c1sc2ccccc2c1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000491894084 1037749613 /nfs/dbraw/zinc/74/96/13/1037749613.db2.gz KNEOZYOLSBCHJM-WAYWQWQTSA-N 1 2 343.839 3.848 20 0 EHADLO CC1=CC[C@](C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000666640758 1037752503 /nfs/dbraw/zinc/75/25/03/1037752503.db2.gz UKFMAGZQXYYCPE-FQEVSTJZSA-N 1 2 327.472 3.825 20 0 EHADLO Cc1nc2ccc(C[NH2+][C@H](CO)c3c(F)cccc3F)cc2s1 ZINC000494061062 1037803440 /nfs/dbraw/zinc/80/34/40/1037803440.db2.gz SYMMLKREXVQIFA-OAHLLOKOSA-N 1 2 334.391 3.706 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378069386 1037807292 /nfs/dbraw/zinc/80/72/92/1037807292.db2.gz BNWQQOYPSWYONI-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378069386 1037807305 /nfs/dbraw/zinc/80/73/05/1037807305.db2.gz BNWQQOYPSWYONI-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378081070 1037857570 /nfs/dbraw/zinc/85/75/70/1037857570.db2.gz WPFVOPOOHBHJAX-BEFAXECRSA-N 1 2 325.456 3.946 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378081070 1037857582 /nfs/dbraw/zinc/85/75/82/1037857582.db2.gz WPFVOPOOHBHJAX-BEFAXECRSA-N 1 2 325.456 3.946 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000540424478 1037931532 /nfs/dbraw/zinc/93/15/32/1037931532.db2.gz CKMKMWQWATXXQV-GOSISDBHSA-N 1 2 331.439 3.633 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000120634481 1037940454 /nfs/dbraw/zinc/94/04/54/1037940454.db2.gz VNJAVXSCGQSNJN-INIZCTEOSA-N 1 2 333.435 3.668 20 0 EHADLO CCCC[C@](CC)([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OCC ZINC001168242604 1037941755 /nfs/dbraw/zinc/94/17/55/1037941755.db2.gz CMIWSRSJRARKAU-PXNSSMCTSA-N 1 2 333.472 3.654 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000540435715 1037956746 /nfs/dbraw/zinc/95/67/46/1037956746.db2.gz UKHBXMBNPCPEGS-LBPRGKRZSA-N 1 2 332.473 3.514 20 0 EHADLO CCCN(CCc1cccs1)C(=O)NCCCNc1cccc[nH+]1 ZINC000184118609 1038005230 /nfs/dbraw/zinc/00/52/30/1038005230.db2.gz OQMVTGJAVVWCNM-UHFFFAOYSA-N 1 2 346.500 3.609 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123544851 1038036102 /nfs/dbraw/zinc/03/61/02/1038036102.db2.gz FOMOTEGCWZIZNE-FXAWDEMLSA-N 1 2 339.483 3.734 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000158302143 1038064937 /nfs/dbraw/zinc/06/49/37/1038064937.db2.gz IDKVXHBIGAJGMY-OAHLLOKOSA-N 1 2 327.428 3.751 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000158302143 1038064959 /nfs/dbraw/zinc/06/49/59/1038064959.db2.gz IDKVXHBIGAJGMY-OAHLLOKOSA-N 1 2 327.428 3.751 20 0 EHADLO CCSc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000124114242 1038137499 /nfs/dbraw/zinc/13/74/99/1038137499.db2.gz HUYCRRNJRONENR-YOEHRIQHSA-N 1 2 329.469 3.718 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1nc2ccccc2n1C ZINC000124274832 1038162960 /nfs/dbraw/zinc/16/29/60/1038162960.db2.gz FEYFBKJMHIIKOU-GFCCVEGCSA-N 1 2 339.830 3.725 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000053139554 1038205938 /nfs/dbraw/zinc/20/59/38/1038205938.db2.gz DGPRERPVGIIEAQ-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000053139554 1038205954 /nfs/dbraw/zinc/20/59/54/1038205954.db2.gz DGPRERPVGIIEAQ-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO Cn1cnnc1C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000042228901 1038208671 /nfs/dbraw/zinc/20/86/71/1038208671.db2.gz ZOLTXRGCIVMOHW-UHFFFAOYSA-N 1 2 337.210 3.672 20 0 EHADLO COCCCOCC[N@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000180719393 1038246423 /nfs/dbraw/zinc/24/64/23/1038246423.db2.gz YSSOLAIIWLFMOX-UHFFFAOYSA-N 1 2 334.485 3.603 20 0 EHADLO COCCCOCC[N@@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000180719393 1038246432 /nfs/dbraw/zinc/24/64/32/1038246432.db2.gz YSSOLAIIWLFMOX-UHFFFAOYSA-N 1 2 334.485 3.603 20 0 EHADLO CC[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000124998194 1038261214 /nfs/dbraw/zinc/26/12/14/1038261214.db2.gz CCNYYGSMLDEXDK-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO CC1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125280082 1038300795 /nfs/dbraw/zinc/30/07/95/1038300795.db2.gz MFTHIWRGRPREPR-CALCHBBNSA-N 1 2 345.487 3.560 20 0 EHADLO CC1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125280082 1038300811 /nfs/dbraw/zinc/30/08/11/1038300811.db2.gz MFTHIWRGRPREPR-CALCHBBNSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(F)cc3Br)ccc2[nH+]1 ZINC000339116314 1038325861 /nfs/dbraw/zinc/32/58/61/1038325861.db2.gz JYKJVCVBXHTGIP-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O=C(Nc1ccsc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278824104 1038388222 /nfs/dbraw/zinc/38/82/22/1038388222.db2.gz OHQQKJGRKFRQID-UHFFFAOYSA-N 1 2 330.457 3.692 20 0 EHADLO CC(C)c1ccc(CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651351774 1038415333 /nfs/dbraw/zinc/41/53/33/1038415333.db2.gz UONWSPPILWDLAP-UHFFFAOYSA-N 1 2 339.483 3.634 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cnccc2C(F)(F)F)c(C)[nH+]1 ZINC000667118379 1038440828 /nfs/dbraw/zinc/44/08/28/1038440828.db2.gz PMBZQBXXMGRXRI-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000659945049 1038462804 /nfs/dbraw/zinc/46/28/04/1038462804.db2.gz ZACHBPAOGAKMAA-KBPBESRZSA-N 1 2 347.684 3.623 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000659945049 1038462807 /nfs/dbraw/zinc/46/28/07/1038462807.db2.gz ZACHBPAOGAKMAA-KBPBESRZSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651359249 1038492186 /nfs/dbraw/zinc/49/21/86/1038492186.db2.gz NEJPRLGXGFYTQR-AWEZNQCLSA-N 1 2 345.874 3.505 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)s1 ZINC000538725554 1038506371 /nfs/dbraw/zinc/50/63/71/1038506371.db2.gz DUBYARJHDBZGNS-GOEBONIOSA-N 1 2 336.501 3.649 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)s1 ZINC000538725554 1038506377 /nfs/dbraw/zinc/50/63/77/1038506377.db2.gz DUBYARJHDBZGNS-GOEBONIOSA-N 1 2 336.501 3.649 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000181990937 1038521977 /nfs/dbraw/zinc/52/19/77/1038521977.db2.gz JYGLISJJGLJMQY-CYBMUJFWSA-N 1 2 344.358 3.508 20 0 EHADLO FC(F)(F)[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@H]1C(F)(F)F ZINC000659969137 1038550478 /nfs/dbraw/zinc/55/04/78/1038550478.db2.gz FXAQRYXUMNRPNM-NXEZZACHSA-N 1 2 328.256 3.725 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C(F)(F)F ZINC000659969133 1038551206 /nfs/dbraw/zinc/55/12/06/1038551206.db2.gz FXAQRYXUMNRPNM-AOOOYVTPSA-N 1 2 328.256 3.725 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C(F)(F)F ZINC000659969133 1038551213 /nfs/dbraw/zinc/55/12/13/1038551213.db2.gz FXAQRYXUMNRPNM-AOOOYVTPSA-N 1 2 328.256 3.725 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659995653 1038652481 /nfs/dbraw/zinc/65/24/81/1038652481.db2.gz AJZSVJCMSYFHPL-IBGZPJMESA-N 1 2 335.455 3.800 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659995653 1038652487 /nfs/dbraw/zinc/65/24/87/1038652487.db2.gz AJZSVJCMSYFHPL-IBGZPJMESA-N 1 2 335.455 3.800 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000659999508 1038661596 /nfs/dbraw/zinc/66/15/96/1038661596.db2.gz BGDQRXHXNBOMKJ-QGZVFWFLSA-N 1 2 335.494 3.922 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000659999508 1038661599 /nfs/dbraw/zinc/66/15/99/1038661599.db2.gz BGDQRXHXNBOMKJ-QGZVFWFLSA-N 1 2 335.494 3.922 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000667204238 1038693426 /nfs/dbraw/zinc/69/34/26/1038693426.db2.gz LMYFMGNVJXGPAD-UHFFFAOYSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000667204238 1038693428 /nfs/dbraw/zinc/69/34/28/1038693428.db2.gz LMYFMGNVJXGPAD-UHFFFAOYSA-N 1 2 330.476 3.658 20 0 EHADLO CC(C)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000183468744 1038712102 /nfs/dbraw/zinc/71/21/02/1038712102.db2.gz IHHRTUBJTACULK-UHFFFAOYSA-N 1 2 337.055 3.757 20 0 EHADLO CC(C)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000183468744 1038712107 /nfs/dbraw/zinc/71/21/07/1038712107.db2.gz IHHRTUBJTACULK-UHFFFAOYSA-N 1 2 337.055 3.757 20 0 EHADLO CC1(C)CCCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000462006077 1038717951 /nfs/dbraw/zinc/71/79/51/1038717951.db2.gz KNOGBXMTQQLXPD-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)no1 ZINC000539285644 1038759624 /nfs/dbraw/zinc/75/96/24/1038759624.db2.gz ADIILOBJKXXPFX-FXAWDEMLSA-N 1 2 349.434 3.912 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)Cc2c[nH+]c3n2CCC3)s1 ZINC000667559582 1038780212 /nfs/dbraw/zinc/78/02/12/1038780212.db2.gz BTYLBDTULCOMME-UHFFFAOYSA-N 1 2 327.453 3.995 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000042504772 1038783832 /nfs/dbraw/zinc/78/38/32/1038783832.db2.gz IQTPWBDZVSLZCK-LJQANCHMSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000042504772 1038783852 /nfs/dbraw/zinc/78/38/52/1038783852.db2.gz IQTPWBDZVSLZCK-LJQANCHMSA-N 1 2 328.481 3.756 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000667567313 1038786211 /nfs/dbraw/zinc/78/62/11/1038786211.db2.gz VOVFWIPVKDZOEB-MAUKXSAKSA-N 1 2 329.444 3.551 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000667567313 1038786227 /nfs/dbraw/zinc/78/62/27/1038786227.db2.gz VOVFWIPVKDZOEB-MAUKXSAKSA-N 1 2 329.444 3.551 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000539322493 1038791997 /nfs/dbraw/zinc/79/19/97/1038791997.db2.gz WJCIGDWLGIPUBO-KRWDZBQOSA-N 1 2 335.373 3.772 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000488037782 1038794600 /nfs/dbraw/zinc/79/46/00/1038794600.db2.gz WIVYYPJRAVMTSH-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000488037782 1038794618 /nfs/dbraw/zinc/79/46/18/1038794618.db2.gz WIVYYPJRAVMTSH-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO Cc1ccccc1-n1cc(C[NH+]2CCC(Oc3ccccc3)CC2)nn1 ZINC000347661694 1038841977 /nfs/dbraw/zinc/84/19/77/1038841977.db2.gz YVTJLROZFKMXBO-UHFFFAOYSA-N 1 2 348.450 3.619 20 0 EHADLO O=c1[nH]ccc2oc(CNc3[nH+]c4ccccc4n3CC3CC3)cc21 ZINC000905426285 1038888339 /nfs/dbraw/zinc/88/83/39/1038888339.db2.gz NFTFLZBJVKGJEY-UHFFFAOYSA-N 1 2 334.379 3.905 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000668823793 1038889215 /nfs/dbraw/zinc/88/92/15/1038889215.db2.gz LFULYJSEWACLKN-SCLBCKFNSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000668823793 1038889234 /nfs/dbraw/zinc/88/92/34/1038889234.db2.gz LFULYJSEWACLKN-SCLBCKFNSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000923961228 1038896346 /nfs/dbraw/zinc/89/63/46/1038896346.db2.gz DRUPZFUYHWWNEF-ZFWWWQNUSA-N 1 2 345.443 3.861 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000923961228 1038896374 /nfs/dbraw/zinc/89/63/74/1038896374.db2.gz DRUPZFUYHWWNEF-ZFWWWQNUSA-N 1 2 345.443 3.861 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000477790404 1038902267 /nfs/dbraw/zinc/90/22/67/1038902267.db2.gz LRWJBPJJHGKYSH-OAHLLOKOSA-N 1 2 343.496 3.946 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]2COC)cc1OCC ZINC000552084188 1038960949 /nfs/dbraw/zinc/96/09/49/1038960949.db2.gz TXTCROZPCVPWDC-AWEZNQCLSA-N 1 2 327.852 3.748 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]2COC)cc1OCC ZINC000552084188 1038960952 /nfs/dbraw/zinc/96/09/52/1038960952.db2.gz TXTCROZPCVPWDC-AWEZNQCLSA-N 1 2 327.852 3.748 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000338729313 1039008846 /nfs/dbraw/zinc/00/88/46/1039008846.db2.gz MWSHFJOEAKJZDV-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@@]45CCO[C@H]4CCCC5)n3)c2)c[nH+]1 ZINC000923890187 1039023686 /nfs/dbraw/zinc/02/36/86/1039023686.db2.gz XQNHDCPFPBFHNW-LPHOPBHVSA-N 1 2 336.395 3.523 20 0 EHADLO Cc1cccc(C[N@H+](Cc2cnn3c2CCC3)Cc2ccccn2)c1 ZINC000667597503 1039054914 /nfs/dbraw/zinc/05/49/14/1039054914.db2.gz PJIWYFNCBBUAMM-UHFFFAOYSA-N 1 2 332.451 3.735 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2cnn3c2CCC3)Cc2ccccn2)c1 ZINC000667597503 1039054936 /nfs/dbraw/zinc/05/49/36/1039054936.db2.gz PJIWYFNCBBUAMM-UHFFFAOYSA-N 1 2 332.451 3.735 20 0 EHADLO Cc1cc(F)cc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)c1 ZINC000363944261 1039055552 /nfs/dbraw/zinc/05/55/52/1039055552.db2.gz GZIQKNDMQGVLNA-AWEZNQCLSA-N 1 2 338.386 3.963 20 0 EHADLO CCc1ccccc1OCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000477978984 1039079740 /nfs/dbraw/zinc/07/97/40/1039079740.db2.gz YFFQXTHXFMONBR-UHFFFAOYSA-N 1 2 335.407 3.965 20 0 EHADLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(C(F)(F)F)c1 ZINC000910813662 1039091548 /nfs/dbraw/zinc/09/15/48/1039091548.db2.gz XMWUCMQLXKLLFV-LBPRGKRZSA-N 1 2 337.345 3.517 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552230543 1039094501 /nfs/dbraw/zinc/09/45/01/1039094501.db2.gz JTUJXDABPUKEOE-WKILWMFISA-N 1 2 327.403 3.682 20 0 EHADLO C[C@@H]1[C@H](C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1C ZINC000416834685 1039100847 /nfs/dbraw/zinc/10/08/47/1039100847.db2.gz JFDQXWFBRIQUNZ-MCIONIFRSA-N 1 2 336.505 3.637 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000488323517 1039101893 /nfs/dbraw/zinc/10/18/93/1039101893.db2.gz QVTDKKGIQCUBPT-UHFFFAOYSA-N 1 2 325.387 3.686 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000488323517 1039101902 /nfs/dbraw/zinc/10/19/02/1039101902.db2.gz QVTDKKGIQCUBPT-UHFFFAOYSA-N 1 2 325.387 3.686 20 0 EHADLO COc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1OC ZINC000668844952 1039114036 /nfs/dbraw/zinc/11/40/36/1039114036.db2.gz UDEDQSDRLVZGDV-UHFFFAOYSA-N 1 2 349.862 3.665 20 0 EHADLO COc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1OC ZINC000668844952 1039114044 /nfs/dbraw/zinc/11/40/44/1039114044.db2.gz UDEDQSDRLVZGDV-UHFFFAOYSA-N 1 2 349.862 3.665 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccc1OC(F)F ZINC000552277918 1039149528 /nfs/dbraw/zinc/14/95/28/1039149528.db2.gz MQXRJNVETGJAOC-UHFFFAOYSA-N 1 2 329.362 3.962 20 0 EHADLO Fc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1OC(F)F ZINC000552277918 1039149545 /nfs/dbraw/zinc/14/95/45/1039149545.db2.gz MQXRJNVETGJAOC-UHFFFAOYSA-N 1 2 329.362 3.962 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c(=O)c1 ZINC000663832403 1039149810 /nfs/dbraw/zinc/14/98/10/1039149810.db2.gz YXDHPOHLMSSNAD-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c(=O)c1 ZINC000663832403 1039149814 /nfs/dbraw/zinc/14/98/14/1039149814.db2.gz YXDHPOHLMSSNAD-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO C[C@H](c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503494 1039177824 /nfs/dbraw/zinc/17/78/24/1039177824.db2.gz MGEBPJFNPVKFFH-IUODEOHRSA-N 1 2 346.368 3.516 20 0 EHADLO C[C@H](c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503494 1039177839 /nfs/dbraw/zinc/17/78/39/1039177839.db2.gz MGEBPJFNPVKFFH-IUODEOHRSA-N 1 2 346.368 3.516 20 0 EHADLO O=C(c1ccc(C2CCCC2)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488554025 1039266321 /nfs/dbraw/zinc/26/63/21/1039266321.db2.gz XRTAVOKRNUCISV-FQEVSTJZSA-N 1 2 335.451 3.526 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485606768 1039288741 /nfs/dbraw/zinc/28/87/41/1039288741.db2.gz JHCHPGGNQRHNIK-PMXSJFBMSA-N 1 2 349.478 3.630 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2ccc(Br)o2)c(C)[nH+]1 ZINC000906109885 1039309173 /nfs/dbraw/zinc/30/91/73/1039309173.db2.gz GRIOBFDVPJUORZ-UHFFFAOYSA-N 1 2 337.217 3.635 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000552473949 1039314905 /nfs/dbraw/zinc/31/49/05/1039314905.db2.gz JONNWHFHDZOCAL-HXUWFJFHSA-N 1 2 331.419 3.657 20 0 EHADLO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)nn1 ZINC000927140383 1039360938 /nfs/dbraw/zinc/36/09/38/1039360938.db2.gz NJFSZCBAMBCWCC-RYUDHWBXSA-N 1 2 334.851 3.688 20 0 EHADLO COc1ccc(C)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000478305587 1039365189 /nfs/dbraw/zinc/36/51/89/1039365189.db2.gz BWNVETWFHNXTHA-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000488763123 1039386126 /nfs/dbraw/zinc/38/61/26/1039386126.db2.gz IURIYXYLVNJQBN-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO Cc1cc(NC(=O)NCCn2ccc3cc(Cl)ccc32)c(C)c[nH+]1 ZINC000554491015 1039397224 /nfs/dbraw/zinc/39/72/24/1039397224.db2.gz RWSSUDGKVSDUCT-UHFFFAOYSA-N 1 2 342.830 3.550 20 0 EHADLO Clc1ccc([C@H]2CSCC[N@@H+]2Cc2cnn3c2CCC3)cc1 ZINC000667653675 1039411549 /nfs/dbraw/zinc/41/15/49/1039411549.db2.gz HORJCDMXEKUESP-QGZVFWFLSA-N 1 2 333.888 3.773 20 0 EHADLO Clc1ccc([C@H]2CSCC[N@H+]2Cc2cnn3c2CCC3)cc1 ZINC000667653675 1039411557 /nfs/dbraw/zinc/41/15/57/1039411557.db2.gz HORJCDMXEKUESP-QGZVFWFLSA-N 1 2 333.888 3.773 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000500769698 1039451380 /nfs/dbraw/zinc/45/13/80/1039451380.db2.gz HZZDVGBJUAHISJ-UHFFFAOYSA-N 1 2 344.480 3.786 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000500769698 1039451398 /nfs/dbraw/zinc/45/13/98/1039451398.db2.gz HZZDVGBJUAHISJ-UHFFFAOYSA-N 1 2 344.480 3.786 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718657 1039457994 /nfs/dbraw/zinc/45/79/94/1039457994.db2.gz FFKZSMSWFNSCFU-SOVGHPHASA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718657 1039458003 /nfs/dbraw/zinc/45/80/03/1039458003.db2.gz FFKZSMSWFNSCFU-SOVGHPHASA-N 1 2 338.442 3.899 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667665420 1039479058 /nfs/dbraw/zinc/47/90/58/1039479058.db2.gz KAVZXAJOHHYRLP-SNVBAGLBSA-N 1 2 346.422 3.959 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667665420 1039479061 /nfs/dbraw/zinc/47/90/61/1039479061.db2.gz KAVZXAJOHHYRLP-SNVBAGLBSA-N 1 2 346.422 3.959 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000552741472 1039485989 /nfs/dbraw/zinc/48/59/89/1039485989.db2.gz HLMCLOWTTHXEIH-QZTJIDSGSA-N 1 2 345.874 3.849 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000552741471 1039486971 /nfs/dbraw/zinc/48/69/71/1039486971.db2.gz HLMCLOWTTHXEIH-MSOLQXFVSA-N 1 2 345.874 3.849 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488984359 1039522225 /nfs/dbraw/zinc/52/22/25/1039522225.db2.gz SKJNETDBHKRADH-FQEVSTJZSA-N 1 2 326.440 3.662 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488984359 1039522241 /nfs/dbraw/zinc/52/22/41/1039522241.db2.gz SKJNETDBHKRADH-FQEVSTJZSA-N 1 2 326.440 3.662 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CCC2CCOCC2)CCO1 ZINC000432866019 1039564432 /nfs/dbraw/zinc/56/44/32/1039564432.db2.gz KEKXMKBXDNGWQG-KRWDZBQOSA-N 1 2 343.389 3.895 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC000432866019 1039564445 /nfs/dbraw/zinc/56/44/45/1039564445.db2.gz KEKXMKBXDNGWQG-KRWDZBQOSA-N 1 2 343.389 3.895 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc(OC)cc1 ZINC000660174538 1039572773 /nfs/dbraw/zinc/57/27/73/1039572773.db2.gz NKMYVXMJMRRRJK-NSHDSACASA-N 1 2 331.363 3.806 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)oc2C)cc1Br ZINC000660175900 1039596012 /nfs/dbraw/zinc/59/60/12/1039596012.db2.gz RCQUNJFQLVNVIH-SECBINFHSA-N 1 2 339.233 3.913 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@H](n4cc[nH+]c4)C1)(C3)C2 ZINC000906559006 1039624844 /nfs/dbraw/zinc/62/48/44/1039624844.db2.gz HWEXGLNBQTVWCB-JTMYGCHMSA-N 1 2 327.472 3.653 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nc(-c3cccs3)no1)CC2 ZINC000485863552 1039642701 /nfs/dbraw/zinc/64/27/01/1039642701.db2.gz NHBXTPKMDRPKOA-UHFFFAOYSA-N 1 2 325.437 3.973 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nc(-c3cccs3)no1)CC2 ZINC000485863552 1039642710 /nfs/dbraw/zinc/64/27/10/1039642710.db2.gz NHBXTPKMDRPKOA-UHFFFAOYSA-N 1 2 325.437 3.973 20 0 EHADLO C[C@@H](CC(=O)O[C@H](CC1CC1)c1ccnc(Cl)c1)n1cc[nH+]c1 ZINC000893732045 1039651244 /nfs/dbraw/zinc/65/12/44/1039651244.db2.gz GSMKWPCPYWUZLI-SWLSCSKDSA-N 1 2 333.819 3.967 20 0 EHADLO C[C@H](CC(=O)O[C@@H](CC1CC1)c1ccnc(Cl)c1)n1cc[nH+]c1 ZINC000893732043 1039651794 /nfs/dbraw/zinc/65/17/94/1039651794.db2.gz GSMKWPCPYWUZLI-DOMZBBRYSA-N 1 2 333.819 3.967 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@H](C)O1 ZINC000480539343 1039660344 /nfs/dbraw/zinc/66/03/44/1039660344.db2.gz KUAPGAUQLRWBJU-MAUKXSAKSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@H](C)O1 ZINC000480539343 1039660358 /nfs/dbraw/zinc/66/03/58/1039660358.db2.gz KUAPGAUQLRWBJU-MAUKXSAKSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@H]1CCC[C@@H](OCCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904549 1039689953 /nfs/dbraw/zinc/68/99/53/1039689953.db2.gz HKVNNYAMTVBMKP-ZWKOTPCHSA-N 1 2 349.519 3.890 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)n1cc[nH+]c1 ZINC000898909030 1039697184 /nfs/dbraw/zinc/69/71/84/1039697184.db2.gz GUBZYUDQXHTNEG-UKRRQHHQSA-N 1 2 349.837 3.721 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c(C)[nH+]1 ZINC000906867006 1039800888 /nfs/dbraw/zinc/80/08/88/1039800888.db2.gz PZAPJQCDRVZODX-HNNXBMFYSA-N 1 2 334.423 3.684 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)cc[nH+]1 ZINC000486027975 1039801375 /nfs/dbraw/zinc/80/13/75/1039801375.db2.gz PLKPPWRJYDMVPU-UHFFFAOYSA-N 1 2 326.440 3.763 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000554838783 1039813913 /nfs/dbraw/zinc/81/39/13/1039813913.db2.gz DMLQCBOFCCZDPZ-UHFFFAOYSA-N 1 2 340.423 3.715 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000554838783 1039813933 /nfs/dbraw/zinc/81/39/33/1039813933.db2.gz DMLQCBOFCCZDPZ-UHFFFAOYSA-N 1 2 340.423 3.715 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c(C)[nH+]1 ZINC000907002641 1039879902 /nfs/dbraw/zinc/87/99/02/1039879902.db2.gz XQAUMJKCQZRHOL-CQSZACIVSA-N 1 2 336.395 3.548 20 0 EHADLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1OC ZINC000893977652 1039915323 /nfs/dbraw/zinc/91/53/23/1039915323.db2.gz KAWMWGHBYQIDSV-MRXNPFEDSA-N 1 2 333.453 3.647 20 0 EHADLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1OC ZINC000893977652 1039915335 /nfs/dbraw/zinc/91/53/35/1039915335.db2.gz KAWMWGHBYQIDSV-MRXNPFEDSA-N 1 2 333.453 3.647 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc2)n1 ZINC000912487228 1039916653 /nfs/dbraw/zinc/91/66/53/1039916653.db2.gz HPLCHZHTTNUDGK-LLVKDONJSA-N 1 2 343.424 3.524 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000553297246 1039944530 /nfs/dbraw/zinc/94/45/30/1039944530.db2.gz MAWVJZBWEMZNOV-KZNAEPCWSA-N 1 2 338.455 3.871 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+][C@@H]2CCc3c2cccc3Cl)nc1 ZINC000584821476 1039976751 /nfs/dbraw/zinc/97/67/51/1039976751.db2.gz IFRUZZMDRZXAIY-CYBMUJFWSA-N 1 2 327.737 3.926 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(OCCC(C)C)cc1)C2 ZINC000534340428 1040014150 /nfs/dbraw/zinc/01/41/50/1040014150.db2.gz FKMXGNXRWGFFJY-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(OCCC(C)C)cc1)C2 ZINC000534340428 1040014172 /nfs/dbraw/zinc/01/41/72/1040014172.db2.gz FKMXGNXRWGFFJY-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO CCOc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)CCO2 ZINC000907487950 1040071523 /nfs/dbraw/zinc/07/15/23/1040071523.db2.gz NQZQZRXIHIDJMU-KRWDZBQOSA-N 1 2 340.423 3.659 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)on1 ZINC000924847519 1040081495 /nfs/dbraw/zinc/08/14/95/1040081495.db2.gz GKYYUTCSCHJBNL-NEPJUHHUSA-N 1 2 344.390 3.728 20 0 EHADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(Cl)cn2)cc1 ZINC000486445173 1040139137 /nfs/dbraw/zinc/13/91/37/1040139137.db2.gz LMSWJCHRCUOSOK-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(F)CCCC1 ZINC000907814739 1040181309 /nfs/dbraw/zinc/18/13/09/1040181309.db2.gz HJLNCWXELXEFKL-CQSZACIVSA-N 1 2 333.451 3.713 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(F)CCCC1 ZINC000907814739 1040181318 /nfs/dbraw/zinc/18/13/18/1040181318.db2.gz HJLNCWXELXEFKL-CQSZACIVSA-N 1 2 333.451 3.713 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1Cc2ccccc21 ZINC000907815904 1040185326 /nfs/dbraw/zinc/18/53/26/1040185326.db2.gz OFKPSGLDBIMAML-SJLPKXTDSA-N 1 2 349.478 3.771 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1Cc2ccccc21 ZINC000907815904 1040185337 /nfs/dbraw/zinc/18/53/37/1040185337.db2.gz OFKPSGLDBIMAML-SJLPKXTDSA-N 1 2 349.478 3.771 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)n1 ZINC000432929191 1040198249 /nfs/dbraw/zinc/19/82/49/1040198249.db2.gz QAPMAOZQRSUBFZ-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)n1 ZINC000432929191 1040198259 /nfs/dbraw/zinc/19/82/59/1040198259.db2.gz QAPMAOZQRSUBFZ-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489767095 1040199502 /nfs/dbraw/zinc/19/95/02/1040199502.db2.gz LXRRQLXQHSJBOF-SFHVURJKSA-N 1 2 348.450 3.799 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000092707372 1040260231 /nfs/dbraw/zinc/26/02/31/1040260231.db2.gz CQWYZTXXBBLGSG-CQSZACIVSA-N 1 2 346.368 3.581 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000092707372 1040260265 /nfs/dbraw/zinc/26/02/65/1040260265.db2.gz CQWYZTXXBBLGSG-CQSZACIVSA-N 1 2 346.368 3.581 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3c(Br)cnn3C)oc21 ZINC000631207259 1040264443 /nfs/dbraw/zinc/26/44/43/1040264443.db2.gz OHOHBFAEXMHGBQ-UHFFFAOYSA-N 1 2 348.244 3.781 20 0 EHADLO CN(c1cc[nH+]c2c(Br)cccc12)[C@@H]1CCCC[C@H]1O ZINC000489975565 1040267172 /nfs/dbraw/zinc/26/71/72/1040267172.db2.gz CDAWNRXITOAWKH-HUUCEWRRSA-N 1 2 335.245 3.737 20 0 EHADLO O=C(NCC1(Cc2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154342317 1040276427 /nfs/dbraw/zinc/27/64/27/1040276427.db2.gz ZYRFIMLFPKSPDM-UHFFFAOYSA-N 1 2 331.419 3.625 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(F)(c3ccccn3)CC2)c(C)[nH+]1 ZINC000908082894 1040280041 /nfs/dbraw/zinc/28/00/41/1040280041.db2.gz ORBLGRUKPBCNIX-UHFFFAOYSA-N 1 2 327.403 3.503 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(C(F)(F)F)nn1C)C1CC1 ZINC000667498450 1040280316 /nfs/dbraw/zinc/28/03/16/1040280316.db2.gz JDDMDFALGRZPFC-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(C(F)(F)F)nn1C)C1CC1 ZINC000667498450 1040280329 /nfs/dbraw/zinc/28/03/29/1040280329.db2.gz JDDMDFALGRZPFC-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000162503113 1040283949 /nfs/dbraw/zinc/28/39/49/1040283949.db2.gz HPBNKMSKXPLCLE-LBPRGKRZSA-N 1 2 348.397 3.959 20 0 EHADLO O=C([C@@H]1CCC=CCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000908117796 1040298302 /nfs/dbraw/zinc/29/83/02/1040298302.db2.gz GJEYXFHGYJVOAI-QGZVFWFLSA-N 1 2 347.528 3.744 20 0 EHADLO CCc1[nH]c(CNc2ccc([NH+]3CCCC3)cc2)cc1C(=O)OC ZINC000894101466 1040313933 /nfs/dbraw/zinc/31/39/33/1040313933.db2.gz PWVKCPFQCJUJCG-UHFFFAOYSA-N 1 2 327.428 3.576 20 0 EHADLO CN(C(=O)c1c[nH+]ccc1Nc1ccccc1)C1CCC(F)(F)CC1 ZINC000908221468 1040347787 /nfs/dbraw/zinc/34/77/87/1040347787.db2.gz VMGNRZIWYXREEY-UHFFFAOYSA-N 1 2 345.393 3.897 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000151582428 1040390199 /nfs/dbraw/zinc/39/01/99/1040390199.db2.gz OSZZVBHIMJPGRW-LZQZEXGQSA-N 1 2 338.455 3.553 20 0 EHADLO CCC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccn1 ZINC000339255570 1040395612 /nfs/dbraw/zinc/39/56/12/1040395612.db2.gz AZKQFJNZZSGESW-MRXNPFEDSA-N 1 2 341.455 3.644 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224503 1040406297 /nfs/dbraw/zinc/40/62/97/1040406297.db2.gz NFEASYPBTOWCGX-JKSUJKDBSA-N 1 2 339.430 3.588 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224503 1040406303 /nfs/dbraw/zinc/40/63/03/1040406303.db2.gz NFEASYPBTOWCGX-JKSUJKDBSA-N 1 2 339.430 3.588 20 0 EHADLO O=C(Nc1cccc(C2CC2)n1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908402530 1040432874 /nfs/dbraw/zinc/43/28/74/1040432874.db2.gz JCBTYMAZIUPCSB-UHFFFAOYSA-N 1 2 347.422 3.520 20 0 EHADLO O=C(c1ccsc1Cl)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614187984 1040448454 /nfs/dbraw/zinc/44/84/54/1040448454.db2.gz FHHUENFFJONOTE-UHFFFAOYSA-N 1 2 349.887 3.954 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000448641216 1040471957 /nfs/dbraw/zinc/47/19/57/1040471957.db2.gz YKFZIKWSBCGZKY-RTBURBONSA-N 1 2 339.483 3.807 20 0 EHADLO COc1cccc(C[N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)n1 ZINC001137536449 1040488019 /nfs/dbraw/zinc/48/80/19/1040488019.db2.gz DTQQWJKKLMFSIB-LBPRGKRZSA-N 1 2 347.256 3.800 20 0 EHADLO COc1cccc(C[N@H+]2Cc3c(Br)cccc3C[C@@H]2C)n1 ZINC001137536449 1040488023 /nfs/dbraw/zinc/48/80/23/1040488023.db2.gz DTQQWJKKLMFSIB-LBPRGKRZSA-N 1 2 347.256 3.800 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155195537 1040499428 /nfs/dbraw/zinc/49/94/28/1040499428.db2.gz FCDYMSHPKLQFSX-LJQANCHMSA-N 1 2 347.418 3.598 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@]1=O ZINC000433039134 1040526858 /nfs/dbraw/zinc/52/68/58/1040526858.db2.gz KJHPCOKCXHQQID-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@]1=O ZINC000433039134 1040526877 /nfs/dbraw/zinc/52/68/77/1040526877.db2.gz KJHPCOKCXHQQID-DAOPMYJZSA-N 1 2 339.407 3.568 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000433041384 1040530047 /nfs/dbraw/zinc/53/00/47/1040530047.db2.gz WGLLDSKKORKHMC-KSSFIOAISA-N 1 2 346.858 3.603 20 0 EHADLO FC(F)(F)c1c[nH]c2[nH+]ccc(NC3(C4CCOCC4)CC3)c12 ZINC001167747199 1040540826 /nfs/dbraw/zinc/54/08/26/1040540826.db2.gz PFBJAVOORSMRIF-UHFFFAOYSA-N 1 2 325.334 3.953 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@@H+]2CC/C=C\c2cncc(OC)c2)no1 ZINC000645779331 1040540864 /nfs/dbraw/zinc/54/08/64/1040540864.db2.gz YKRMBHGOBGQFEB-LYLYKKCESA-N 1 2 342.443 3.666 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@H+]2CC/C=C\c2cncc(OC)c2)no1 ZINC000645779331 1040540878 /nfs/dbraw/zinc/54/08/78/1040540878.db2.gz YKRMBHGOBGQFEB-LYLYKKCESA-N 1 2 342.443 3.666 20 0 EHADLO Cc1nnsc1[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000931059152 1040565374 /nfs/dbraw/zinc/56/53/74/1040565374.db2.gz LQHMLJQVLLIIQN-HQJQHLMTSA-N 1 2 332.256 3.538 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000486934027 1040568909 /nfs/dbraw/zinc/56/89/09/1040568909.db2.gz YASCWZHABHNOPO-FUHWJXTLSA-N 1 2 332.492 3.806 20 0 EHADLO CCS(=O)(=O)CCCCCSCCc1[nH+]cc(C)cc1C ZINC000570720923 1040570521 /nfs/dbraw/zinc/57/05/21/1040570521.db2.gz PBXYPYCZMVXXPY-UHFFFAOYSA-N 1 2 329.531 3.579 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490552666 1040589725 /nfs/dbraw/zinc/58/97/25/1040589725.db2.gz WFHBGBOCTMCVFX-UHFFFAOYSA-N 1 2 342.374 3.836 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C)c(Br)c1 ZINC000247578479 1040616668 /nfs/dbraw/zinc/61/66/68/1040616668.db2.gz SNSKVHSZQHNPTN-NEPJUHHUSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C)c(Br)c1 ZINC000247578479 1040616675 /nfs/dbraw/zinc/61/66/75/1040616675.db2.gz SNSKVHSZQHNPTN-NEPJUHHUSA-N 1 2 325.250 3.569 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954307 1040627232 /nfs/dbraw/zinc/62/72/32/1040627232.db2.gz NEUHLDPRENUOSS-JKSUJKDBSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954307 1040627242 /nfs/dbraw/zinc/62/72/42/1040627242.db2.gz NEUHLDPRENUOSS-JKSUJKDBSA-N 1 2 327.428 3.625 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccccc2)O1 ZINC000667557017 1040638711 /nfs/dbraw/zinc/63/87/11/1040638711.db2.gz LAZWKJRPURZELP-QRWLVFNGSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccccc2)O1 ZINC000667557017 1040638724 /nfs/dbraw/zinc/63/87/24/1040638724.db2.gz LAZWKJRPURZELP-QRWLVFNGSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccccc2)O1 ZINC000667557018 1040639544 /nfs/dbraw/zinc/63/95/44/1040639544.db2.gz LAZWKJRPURZELP-YWZLYKJASA-N 1 2 325.456 3.650 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccccc2)O1 ZINC000667557018 1040639561 /nfs/dbraw/zinc/63/95/61/1040639561.db2.gz LAZWKJRPURZELP-YWZLYKJASA-N 1 2 325.456 3.650 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCS[C@@H](C)CC2)C1 ZINC000191672084 1040669064 /nfs/dbraw/zinc/66/90/64/1040669064.db2.gz JTFLZIRRMURUDH-KBPBESRZSA-N 1 2 340.558 3.600 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCS[C@@H](C)CC2)C1 ZINC000191672084 1040669070 /nfs/dbraw/zinc/66/90/70/1040669070.db2.gz JTFLZIRRMURUDH-KBPBESRZSA-N 1 2 340.558 3.600 20 0 EHADLO Clc1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152236556 1040670039 /nfs/dbraw/zinc/67/00/39/1040670039.db2.gz RHEAEXORZUZKHL-CQSZACIVSA-N 1 2 346.862 3.594 20 0 EHADLO Clc1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152236556 1040670052 /nfs/dbraw/zinc/67/00/52/1040670052.db2.gz RHEAEXORZUZKHL-CQSZACIVSA-N 1 2 346.862 3.594 20 0 EHADLO Oc1cccc(CNC[C@H](c2ccco2)[NH+]2CCCCC2)c1Cl ZINC000645143680 1040728164 /nfs/dbraw/zinc/72/81/64/1040728164.db2.gz SHAGUUYTNLZEMC-OAHLLOKOSA-N 1 2 334.847 3.955 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364311505 1040758836 /nfs/dbraw/zinc/75/88/36/1040758836.db2.gz WSFJUDYPUBEIEI-UHFFFAOYSA-N 1 2 340.471 3.712 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364311505 1040758853 /nfs/dbraw/zinc/75/88/53/1040758853.db2.gz WSFJUDYPUBEIEI-UHFFFAOYSA-N 1 2 340.471 3.712 20 0 EHADLO CC[C@H](C[NH2+]Cc1c(F)ccc(O)c1F)N1CCc2ccccc2C1 ZINC000509784329 1040793687 /nfs/dbraw/zinc/79/36/87/1040793687.db2.gz VVSKRCSIPSYDTB-MRXNPFEDSA-N 1 2 346.421 3.597 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)[C@H]1SC ZINC000600189414 1040801031 /nfs/dbraw/zinc/80/10/31/1040801031.db2.gz GHDMLEGCULQRJX-CAOSSQGBSA-N 1 2 329.456 3.752 20 0 EHADLO CCC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043001153 1040822350 /nfs/dbraw/zinc/82/23/50/1040822350.db2.gz KHFPHQVPGZXDCH-ARFHVFGLSA-N 1 2 333.476 3.606 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3nccnc3C)cs2)cc1 ZINC000783242415 1040907176 /nfs/dbraw/zinc/90/71/76/1040907176.db2.gz DIDFYTKMCKNPOJ-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651524103 1040948518 /nfs/dbraw/zinc/94/85/18/1040948518.db2.gz OSBDHZUECQAMRW-OAQYLSRUSA-N 1 2 337.467 3.544 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccnc(OC3CCC(C)CC3)c2)s1 ZINC000893350003 1040952084 /nfs/dbraw/zinc/95/20/84/1040952084.db2.gz DHPXGMQKVHZTAF-UHFFFAOYSA-N 1 2 346.500 3.743 20 0 EHADLO Cn1ccc([C@@H]([NH2+]C/C=C/c2ccncc2)c2ccc(Cl)cc2)n1 ZINC000487549305 1040953938 /nfs/dbraw/zinc/95/39/38/1040953938.db2.gz GHAKZAIRTBDHSQ-PHXNAMCJSA-N 1 2 338.842 3.861 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)Nc1cccc2ccccc21 ZINC000570890860 1040968811 /nfs/dbraw/zinc/96/88/11/1040968811.db2.gz RVRDTRUYXYRAKW-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)Nc1cccc2ccccc21 ZINC000570890860 1040968835 /nfs/dbraw/zinc/96/88/35/1040968835.db2.gz RVRDTRUYXYRAKW-UHFFFAOYSA-N 1 2 343.430 3.963 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CF)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000555697006 1041022764 /nfs/dbraw/zinc/02/27/64/1041022764.db2.gz JBLHNWBILICEMO-VQTJNVASSA-N 1 2 340.442 3.521 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CF)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000555697006 1041022785 /nfs/dbraw/zinc/02/27/85/1041022785.db2.gz JBLHNWBILICEMO-VQTJNVASSA-N 1 2 340.442 3.521 20 0 EHADLO c1ccc2c(c1)CCS[C@@H]2CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000487666238 1041035317 /nfs/dbraw/zinc/03/53/17/1041035317.db2.gz WOMYGUMFIWONRL-QGZVFWFLSA-N 1 2 340.496 3.909 20 0 EHADLO c1ccc2c(c1)CCS[C@@H]2CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000487666238 1041035336 /nfs/dbraw/zinc/03/53/36/1041035336.db2.gz WOMYGUMFIWONRL-QGZVFWFLSA-N 1 2 340.496 3.909 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccccc3[C@@H]1C)C2 ZINC000364377486 1041051100 /nfs/dbraw/zinc/05/11/00/1041051100.db2.gz BAHZCTWYSKWKHJ-GOEBONIOSA-N 1 2 337.467 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccccc3[C@@H]1C)CC2 ZINC000364377486 1041051120 /nfs/dbraw/zinc/05/11/20/1041051120.db2.gz BAHZCTWYSKWKHJ-GOEBONIOSA-N 1 2 337.467 3.784 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487696290 1041055603 /nfs/dbraw/zinc/05/56/03/1041055603.db2.gz YAJQIBANFDZYOP-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO Cn1ncc2c1CCC[N@H+](Cc1cc(-c3ccccc3Cl)on1)C2 ZINC000419286472 1041093123 /nfs/dbraw/zinc/09/31/23/1041093123.db2.gz QMLUKGLQAUALOD-UHFFFAOYSA-N 1 2 342.830 3.677 20 0 EHADLO Cn1ncc2c1CCC[N@@H+](Cc1cc(-c3ccccc3Cl)on1)C2 ZINC000419286472 1041093143 /nfs/dbraw/zinc/09/31/43/1041093143.db2.gz QMLUKGLQAUALOD-UHFFFAOYSA-N 1 2 342.830 3.677 20 0 EHADLO Clc1ccc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)cc1 ZINC000561792946 1041103030 /nfs/dbraw/zinc/10/30/30/1041103030.db2.gz RVFFXEVWMGXJFN-UHFFFAOYSA-N 1 2 329.787 3.931 20 0 EHADLO Clc1ccc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)cc1 ZINC000561792946 1041103042 /nfs/dbraw/zinc/10/30/42/1041103042.db2.gz RVFFXEVWMGXJFN-UHFFFAOYSA-N 1 2 329.787 3.931 20 0 EHADLO O=C(Nc1cc(O)c(F)cc1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000909981613 1041106717 /nfs/dbraw/zinc/10/67/17/1041106717.db2.gz UPGWAEQLVMEJPD-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cc(O)c(F)cc1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000909981613 1041106726 /nfs/dbraw/zinc/10/67/26/1041106726.db2.gz UPGWAEQLVMEJPD-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433244831 1041139101 /nfs/dbraw/zinc/13/91/01/1041139101.db2.gz VUCZOFAYFIRKLR-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433244831 1041139111 /nfs/dbraw/zinc/13/91/11/1041139111.db2.gz VUCZOFAYFIRKLR-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852847 1041160153 /nfs/dbraw/zinc/16/01/53/1041160153.db2.gz KSUIXUZNRZRNPM-LSDHHAIUSA-N 1 2 341.835 3.648 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852847 1041160164 /nfs/dbraw/zinc/16/01/64/1041160164.db2.gz KSUIXUZNRZRNPM-LSDHHAIUSA-N 1 2 341.835 3.648 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)c(Cl)c1 ZINC000433262505 1041172845 /nfs/dbraw/zinc/17/28/45/1041172845.db2.gz QVDPADPHWRCLRW-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)c(Cl)c1 ZINC000433262505 1041172849 /nfs/dbraw/zinc/17/28/49/1041172849.db2.gz QVDPADPHWRCLRW-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO Fc1ccc(-n2ccc(C[NH+]3CCC(C(F)F)CC3)n2)c(F)c1 ZINC000487941732 1041204756 /nfs/dbraw/zinc/20/47/56/1041204756.db2.gz IDGWDPGPOSDQSN-UHFFFAOYSA-N 1 2 327.325 3.628 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C1(C(C)C)CCC1 ZINC001142648634 1041217614 /nfs/dbraw/zinc/21/76/14/1041217614.db2.gz VIHFJFCRTRAJQP-UHFFFAOYSA-N 1 2 342.443 3.603 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1coc2ccccc12 ZINC000113036613 1041218689 /nfs/dbraw/zinc/21/86/89/1041218689.db2.gz BRCRQWLFQLGNHK-UHFFFAOYSA-N 1 2 336.391 3.517 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000487989174 1041222159 /nfs/dbraw/zinc/22/21/59/1041222159.db2.gz PBWWKUZXPNEMEO-UHFFFAOYSA-N 1 2 328.416 3.680 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000487989174 1041222176 /nfs/dbraw/zinc/22/21/76/1041222176.db2.gz PBWWKUZXPNEMEO-UHFFFAOYSA-N 1 2 328.416 3.680 20 0 EHADLO CCn1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc21 ZINC000339992827 1041241724 /nfs/dbraw/zinc/24/17/24/1041241724.db2.gz DZOUMRRCOOFWAG-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667925330 1041246885 /nfs/dbraw/zinc/24/68/85/1041246885.db2.gz SNMNEGRHANZCPD-UHFFFAOYSA-N 1 2 333.439 3.774 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667925330 1041246902 /nfs/dbraw/zinc/24/69/02/1041246902.db2.gz SNMNEGRHANZCPD-UHFFFAOYSA-N 1 2 333.439 3.774 20 0 EHADLO O=c1cc(C2CC2)nc(SCc2c[nH+]cn2Cc2ccccc2)[nH]1 ZINC000555865573 1041247306 /nfs/dbraw/zinc/24/73/06/1041247306.db2.gz SYYNAQQJMHOPBC-UHFFFAOYSA-N 1 2 338.436 3.597 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)on1 ZINC000052008232 1041251105 /nfs/dbraw/zinc/25/11/05/1041251105.db2.gz CCTHZHMLRCSPPK-AWEZNQCLSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)on1 ZINC000052008232 1041251123 /nfs/dbraw/zinc/25/11/23/1041251123.db2.gz CCTHZHMLRCSPPK-AWEZNQCLSA-N 1 2 334.803 3.745 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000364423057 1041263675 /nfs/dbraw/zinc/26/36/75/1041263675.db2.gz VUHMZICSPVZONE-LPHOPBHVSA-N 1 2 335.451 3.514 20 0 EHADLO C[N@@H+](Cc1ccc(-c2ccccc2)cc1F)C[C@@H](O)C(F)(F)F ZINC000571329183 1041268479 /nfs/dbraw/zinc/26/84/79/1041268479.db2.gz XCOUGVJCAVQZSD-MRXNPFEDSA-N 1 2 327.321 3.848 20 0 EHADLO C[N@H+](Cc1ccc(-c2ccccc2)cc1F)C[C@@H](O)C(F)(F)F ZINC000571329183 1041268493 /nfs/dbraw/zinc/26/84/93/1041268493.db2.gz XCOUGVJCAVQZSD-MRXNPFEDSA-N 1 2 327.321 3.848 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1nc(C(F)(F)F)cs1 ZINC000433333495 1041297159 /nfs/dbraw/zinc/29/71/59/1041297159.db2.gz DTQWTLBKBJUYKC-QMMMGPOBSA-N 1 2 342.346 3.996 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000419321853 1041325380 /nfs/dbraw/zinc/32/53/80/1041325380.db2.gz FVGSUPQNZDNVDI-UHFFFAOYSA-N 1 2 346.374 3.946 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000433410132 1041395995 /nfs/dbraw/zinc/39/59/95/1041395995.db2.gz AFCMBRBLEZMNGL-ADKAHSJRSA-N 1 2 344.503 3.517 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C2CC2)cc1 ZINC000419343399 1041431445 /nfs/dbraw/zinc/43/14/45/1041431445.db2.gz QVHZBGOUBBDRRP-NSHDSACASA-N 1 2 334.261 3.911 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)CCc1c[nH+]cn1C ZINC000647690472 1041440491 /nfs/dbraw/zinc/44/04/91/1041440491.db2.gz HUEZUWAIFXIHOD-QGZVFWFLSA-N 1 2 327.472 3.907 20 0 EHADLO Cc1cc(=O)[nH]c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000432001567 1041461835 /nfs/dbraw/zinc/46/18/35/1041461835.db2.gz RIBSSLQGCJDSNZ-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cs1 ZINC000111376760 1041547648 /nfs/dbraw/zinc/54/76/48/1041547648.db2.gz HOJIZQPQLBBJRK-NEPJUHHUSA-N 1 2 345.468 3.586 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)n1 ZINC000293240482 1041608798 /nfs/dbraw/zinc/60/87/98/1041608798.db2.gz HRWLFZDWMYIZBE-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)n1 ZINC000293240482 1041608802 /nfs/dbraw/zinc/60/88/02/1041608802.db2.gz HRWLFZDWMYIZBE-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@H](F)c3ccccc3F)CC2)[nH]1 ZINC000660532095 1041639663 /nfs/dbraw/zinc/63/96/63/1041639663.db2.gz CBDYYLMKVBPTCG-SJCJKPOMSA-N 1 2 334.414 3.990 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2c(s1)CCC2 ZINC000343871678 1041686143 /nfs/dbraw/zinc/68/61/43/1041686143.db2.gz SQLSYXOZEDDCDQ-UHFFFAOYSA-N 1 2 327.384 3.814 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710576 1041780978 /nfs/dbraw/zinc/78/09/78/1041780978.db2.gz VJPOKAPCLZWOEQ-LRDDRELGSA-N 1 2 348.878 3.609 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710576 1041780984 /nfs/dbraw/zinc/78/09/84/1041780984.db2.gz VJPOKAPCLZWOEQ-LRDDRELGSA-N 1 2 348.878 3.609 20 0 EHADLO C[C@](CO)([NH2+]Cc1cc(C2CC2)no1)c1cc(Cl)cc(Cl)c1 ZINC000660739878 1041799446 /nfs/dbraw/zinc/79/94/46/1041799446.db2.gz IMWSVBOWFUVONS-MRXNPFEDSA-N 1 2 341.238 3.856 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](Cc3cccs3)C3CC3)cs2)cn1 ZINC000618441499 1041844286 /nfs/dbraw/zinc/84/42/86/1041844286.db2.gz VIDWPNUTRVMBRJ-UHFFFAOYSA-N 1 2 330.482 3.770 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](Cc3cccs3)C3CC3)cs2)cn1 ZINC000618441499 1041844292 /nfs/dbraw/zinc/84/42/92/1041844292.db2.gz VIDWPNUTRVMBRJ-UHFFFAOYSA-N 1 2 330.482 3.770 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)on1 ZINC000660920727 1041868066 /nfs/dbraw/zinc/86/80/66/1041868066.db2.gz VQGORKIRNCUOML-CQSZACIVSA-N 1 2 336.819 3.855 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)on1 ZINC000660920727 1041868069 /nfs/dbraw/zinc/86/80/69/1041868069.db2.gz VQGORKIRNCUOML-CQSZACIVSA-N 1 2 336.819 3.855 20 0 EHADLO C[N@H+](Cc1cccs1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000487350846 1042074256 /nfs/dbraw/zinc/07/42/56/1042074256.db2.gz BMDJUUKSROBUDL-UHFFFAOYSA-N 1 2 339.342 3.847 20 0 EHADLO C[N@@H+](Cc1cccs1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000487350846 1042074264 /nfs/dbraw/zinc/07/42/64/1042074264.db2.gz BMDJUUKSROBUDL-UHFFFAOYSA-N 1 2 339.342 3.847 20 0 EHADLO Cc1c[nH+]c(CCNc2cccc(C(=O)OC(C)(C)C)n2)c(C)c1 ZINC000594596241 1042112640 /nfs/dbraw/zinc/11/26/40/1042112640.db2.gz QRQLGJBJPPKZEI-UHFFFAOYSA-N 1 2 327.428 3.703 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1cscn1 ZINC000661424179 1042113625 /nfs/dbraw/zinc/11/36/25/1042113625.db2.gz OGWTVPNDYVEXCR-HUUCEWRRSA-N 1 2 343.496 3.621 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440985 1042126656 /nfs/dbraw/zinc/12/66/56/1042126656.db2.gz WAWUSINXUZDGNT-VQIMIIECSA-N 1 2 338.451 3.902 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440985 1042126660 /nfs/dbraw/zinc/12/66/60/1042126660.db2.gz WAWUSINXUZDGNT-VQIMIIECSA-N 1 2 338.451 3.902 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccc(OC)c1 ZINC000661479739 1042146498 /nfs/dbraw/zinc/14/64/98/1042146498.db2.gz ZGPUXPFWMJVNME-LJQANCHMSA-N 1 2 338.407 3.828 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000661558589 1042187658 /nfs/dbraw/zinc/18/76/58/1042187658.db2.gz HYIGZEXIVICLIX-MRXNPFEDSA-N 1 2 334.508 3.910 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2cccnc21 ZINC000066888114 1042206411 /nfs/dbraw/zinc/20/64/11/1042206411.db2.gz YJZGHVNDBSKLKP-UHFFFAOYSA-N 1 2 343.390 3.742 20 0 EHADLO Cc1cc(NCc2noc(-c3cccs3)n2)nc(C2CCC2)[nH+]1 ZINC000893480771 1042236019 /nfs/dbraw/zinc/23/60/19/1042236019.db2.gz QRYCQHAOKYBPHE-UHFFFAOYSA-N 1 2 327.413 3.776 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)CC1=CCCOC1 ZINC000661654679 1042236312 /nfs/dbraw/zinc/23/63/12/1042236312.db2.gz LWVWEBGSMKUDSJ-GFCCVEGCSA-N 1 2 333.432 3.684 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)CC1=CCCOC1 ZINC000661654679 1042236316 /nfs/dbraw/zinc/23/63/16/1042236316.db2.gz LWVWEBGSMKUDSJ-GFCCVEGCSA-N 1 2 333.432 3.684 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)c(Cl)c1 ZINC000661691761 1042259910 /nfs/dbraw/zinc/25/99/10/1042259910.db2.gz ARHQFGGIBHCJRA-AWEZNQCLSA-N 1 2 326.843 3.967 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CCF)C2)c(Cl)c1 ZINC000661691761 1042259915 /nfs/dbraw/zinc/25/99/15/1042259915.db2.gz ARHQFGGIBHCJRA-AWEZNQCLSA-N 1 2 326.843 3.967 20 0 EHADLO CCn1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000473139622 1042283379 /nfs/dbraw/zinc/28/33/79/1042283379.db2.gz KRHFRTVAOLNSBU-UHFFFAOYSA-N 1 2 338.430 3.518 20 0 EHADLO Cc1cc(CNc2cn(C)nc2-c2ccccn2)c2c([nH+]1)CCCC2 ZINC000893508737 1042323152 /nfs/dbraw/zinc/32/31/52/1042323152.db2.gz LRZHODNLBMSPSC-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000661792505 1042328839 /nfs/dbraw/zinc/32/88/39/1042328839.db2.gz GLPIHXSXSSBMKO-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000661792505 1042328847 /nfs/dbraw/zinc/32/88/47/1042328847.db2.gz GLPIHXSXSSBMKO-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO CC[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000661867133 1042376366 /nfs/dbraw/zinc/37/63/66/1042376366.db2.gz FUQBATZVIRONCY-SFHVURJKSA-N 1 2 344.503 3.518 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccc(C)cc1 ZINC000661967082 1042434688 /nfs/dbraw/zinc/43/46/88/1042434688.db2.gz BDJOBWQJYFRXAJ-HOTGVXAUSA-N 1 2 341.480 3.978 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccc(C)cc1 ZINC000661967082 1042434690 /nfs/dbraw/zinc/43/46/90/1042434690.db2.gz BDJOBWQJYFRXAJ-HOTGVXAUSA-N 1 2 341.480 3.978 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365948089 1042488552 /nfs/dbraw/zinc/48/85/52/1042488552.db2.gz GKZSGFXIJHMFHS-NVXWUHKLSA-N 1 2 332.492 3.668 20 0 EHADLO C[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCC1 ZINC000652478141 1042496539 /nfs/dbraw/zinc/49/65/39/1042496539.db2.gz KWYNNWKPXROPSF-LBPRGKRZSA-N 1 2 332.835 3.514 20 0 EHADLO Brc1ccc([C@H]2CC[N@@H+]2CCO[C@@H]2CCCCO2)cc1 ZINC000662094496 1042514984 /nfs/dbraw/zinc/51/49/84/1042514984.db2.gz MXJDSVPFTOKDSD-HZPDHXFCSA-N 1 2 340.261 3.739 20 0 EHADLO Brc1ccc([C@H]2CC[N@H+]2CCO[C@@H]2CCCCO2)cc1 ZINC000662094496 1042514988 /nfs/dbraw/zinc/51/49/88/1042514988.db2.gz MXJDSVPFTOKDSD-HZPDHXFCSA-N 1 2 340.261 3.739 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](Cc1nnn(CC(F)(F)F)n1)C(C)C ZINC000662106913 1042522256 /nfs/dbraw/zinc/52/22/56/1042522256.db2.gz KBNTZXWYJITCCO-AWEZNQCLSA-N 1 2 341.381 3.597 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](Cc1nnn(CC(F)(F)F)n1)C(C)C ZINC000662106913 1042522260 /nfs/dbraw/zinc/52/22/60/1042522260.db2.gz KBNTZXWYJITCCO-AWEZNQCLSA-N 1 2 341.381 3.597 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000248555322 1042525767 /nfs/dbraw/zinc/52/57/67/1042525767.db2.gz LLZSBSVOMYVPOG-QAPCUYQASA-N 1 2 342.464 3.667 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000248555322 1042525772 /nfs/dbraw/zinc/52/57/72/1042525772.db2.gz LLZSBSVOMYVPOG-QAPCUYQASA-N 1 2 342.464 3.667 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000599687277 1042561526 /nfs/dbraw/zinc/56/15/26/1042561526.db2.gz ADOJMONITOCXSP-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000599687277 1042561528 /nfs/dbraw/zinc/56/15/28/1042561528.db2.gz ADOJMONITOCXSP-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)[C@@H](C)c1nc(C(C)C)no1 ZINC000662209858 1042592542 /nfs/dbraw/zinc/59/25/42/1042592542.db2.gz ZKMOCUCHYSEJFB-AWEZNQCLSA-N 1 2 333.432 3.664 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)c1nc(C(C)C)no1 ZINC000662209858 1042592544 /nfs/dbraw/zinc/59/25/44/1042592544.db2.gz ZKMOCUCHYSEJFB-AWEZNQCLSA-N 1 2 333.432 3.664 20 0 EHADLO CC(C)O[C@@H](C[N@@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227711 1042617204 /nfs/dbraw/zinc/61/72/04/1042617204.db2.gz PYLZOTRQRPRERE-CVEARBPZSA-N 1 2 331.378 3.806 20 0 EHADLO CC(C)O[C@@H](C[N@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227711 1042617206 /nfs/dbraw/zinc/61/72/06/1042617206.db2.gz PYLZOTRQRPRERE-CVEARBPZSA-N 1 2 331.378 3.806 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662244787 1042632081 /nfs/dbraw/zinc/63/20/81/1042632081.db2.gz VDUYMBZZDOCPEQ-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662244787 1042632083 /nfs/dbraw/zinc/63/20/83/1042632083.db2.gz VDUYMBZZDOCPEQ-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCOc2cccc3ccccc32)s1 ZINC000662261934 1042640183 /nfs/dbraw/zinc/64/01/83/1042640183.db2.gz PWOQLPKBDBJTER-UHFFFAOYSA-N 1 2 327.453 3.901 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCOc2cccc3ccccc32)s1 ZINC000662261934 1042640184 /nfs/dbraw/zinc/64/01/84/1042640184.db2.gz PWOQLPKBDBJTER-UHFFFAOYSA-N 1 2 327.453 3.901 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000601930374 1042646762 /nfs/dbraw/zinc/64/67/62/1042646762.db2.gz HUGNZVPSLXCXHR-OLZOCXBDSA-N 1 2 328.412 3.752 20 0 EHADLO COC(=O)c1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C)cc1C ZINC000602146718 1042665684 /nfs/dbraw/zinc/66/56/84/1042665684.db2.gz CABFQBHVSVDSJM-KRWDZBQOSA-N 1 2 343.427 3.512 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000662311859 1042677054 /nfs/dbraw/zinc/67/70/54/1042677054.db2.gz WQVQEUSHHYZZOT-OKILXGFUSA-N 1 2 332.391 3.555 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000662311859 1042677056 /nfs/dbraw/zinc/67/70/56/1042677056.db2.gz WQVQEUSHHYZZOT-OKILXGFUSA-N 1 2 332.391 3.555 20 0 EHADLO O=C(Cc1cccc2cccnc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161792083 1042683249 /nfs/dbraw/zinc/68/32/49/1042683249.db2.gz LEMLXGMKBVJZDP-UHFFFAOYSA-N 1 2 328.375 3.806 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573153 1042717299 /nfs/dbraw/zinc/71/72/99/1042717299.db2.gz XJYZDPWYFHXHSL-ABAIWWIYSA-N 1 2 348.244 3.528 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573153 1042717305 /nfs/dbraw/zinc/71/73/05/1042717305.db2.gz XJYZDPWYFHXHSL-ABAIWWIYSA-N 1 2 348.244 3.528 20 0 EHADLO CCn1nccc1C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000663348284 1042734067 /nfs/dbraw/zinc/73/40/67/1042734067.db2.gz QUJDTERCTCUFHK-UHFFFAOYSA-N 1 2 332.860 3.970 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000162539684 1042737038 /nfs/dbraw/zinc/73/70/38/1042737038.db2.gz REZXNNOSESLOIZ-MRXNPFEDSA-N 1 2 326.400 3.925 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000162539684 1042737045 /nfs/dbraw/zinc/73/70/45/1042737045.db2.gz REZXNNOSESLOIZ-MRXNPFEDSA-N 1 2 326.400 3.925 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C/C=C\c1ccccc1 ZINC000544624677 1042813060 /nfs/dbraw/zinc/81/30/60/1042813060.db2.gz VWIPKNVCHQGNBX-TWGQIWQCSA-N 1 2 335.856 3.547 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC[C@H]1C ZINC000655527064 1042847955 /nfs/dbraw/zinc/84/79/55/1042847955.db2.gz IOKBGLJNYFXYTG-QGZVFWFLSA-N 1 2 344.503 3.614 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278902837 1042885775 /nfs/dbraw/zinc/88/57/75/1042885775.db2.gz GJYQQGXZRFPRRN-UHFFFAOYSA-N 1 2 349.887 3.954 20 0 EHADLO Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272508 1042908369 /nfs/dbraw/zinc/90/83/69/1042908369.db2.gz FDLTWUDXHICJMJ-GDBMZVCRSA-N 1 2 327.428 3.875 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278931293 1042983753 /nfs/dbraw/zinc/98/37/53/1042983753.db2.gz BEYMHHMFZUNNJD-LBPRGKRZSA-N 1 2 338.238 3.665 20 0 EHADLO CC(C)[N@@H+]1CCC[C@H]1c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000923872005 1043012540 /nfs/dbraw/zinc/01/25/40/1043012540.db2.gz NHCCLHZVNNJMHL-ZDUSSCGKSA-N 1 2 325.334 3.894 20 0 EHADLO CC(C)[N@H+]1CCC[C@H]1c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000923872005 1043012546 /nfs/dbraw/zinc/01/25/46/1043012546.db2.gz NHCCLHZVNNJMHL-ZDUSSCGKSA-N 1 2 325.334 3.894 20 0 EHADLO Cc1sc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nc1C(C)C ZINC000278993105 1043146146 /nfs/dbraw/zinc/14/61/46/1043146146.db2.gz KVKXYSODKCUMFS-UHFFFAOYSA-N 1 2 340.452 3.942 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1nc(C(F)(F)F)cs1 ZINC000279014551 1043201598 /nfs/dbraw/zinc/20/15/98/1043201598.db2.gz VGBUMYJWWAOJBA-LURJTMIESA-N 1 2 340.321 3.684 20 0 EHADLO COc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1Cl ZINC000660563570 1043306594 /nfs/dbraw/zinc/30/65/94/1043306594.db2.gz SPJHPSQSDZJRNX-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1Cl ZINC000660563570 1043306601 /nfs/dbraw/zinc/30/66/01/1043306601.db2.gz SPJHPSQSDZJRNX-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2ccnn2-c2ccccc2)n1 ZINC000279105563 1043356036 /nfs/dbraw/zinc/35/60/36/1043356036.db2.gz JRJSPMKSDLHOKH-UHFFFAOYSA-N 1 2 326.469 3.916 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2cccnc2s1)c1cccc(Cl)c1 ZINC000344197680 1043400968 /nfs/dbraw/zinc/40/09/68/1043400968.db2.gz MKGKMYIUOGSRCN-CQSZACIVSA-N 1 2 333.844 3.822 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000663675013 1043466075 /nfs/dbraw/zinc/46/60/75/1043466075.db2.gz MUAAYJQXBAXXKR-PHIMTYICSA-N 1 2 349.278 3.994 20 0 EHADLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1Cc1cnc[nH]1 ZINC000344241155 1043493987 /nfs/dbraw/zinc/49/39/87/1043493987.db2.gz VZENFZZOLUUDAS-STQMWFEESA-N 1 2 338.377 3.528 20 0 EHADLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1Cc1c[nH]cn1 ZINC000344241155 1043493990 /nfs/dbraw/zinc/49/39/90/1043493990.db2.gz VZENFZZOLUUDAS-STQMWFEESA-N 1 2 338.377 3.528 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)nc1N(C)C ZINC000728895850 1043497903 /nfs/dbraw/zinc/49/79/03/1043497903.db2.gz CKZJFBUQNQTFAC-UONOGXRCSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)nc1N(C)C ZINC000728895850 1043497909 /nfs/dbraw/zinc/49/79/09/1043497909.db2.gz CKZJFBUQNQTFAC-UONOGXRCSA-N 1 2 325.526 3.529 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000279195507 1043540300 /nfs/dbraw/zinc/54/03/00/1043540300.db2.gz KDGDZQMNPIDWJH-UHFFFAOYSA-N 1 2 333.819 3.874 20 0 EHADLO CN(CCOc1ccccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582787 1043699405 /nfs/dbraw/zinc/69/94/05/1043699405.db2.gz CZHMGIODBYHQRG-UHFFFAOYSA-N 1 2 344.802 3.530 20 0 EHADLO COc1ccc2nc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc2c1 ZINC000162753888 1043767283 /nfs/dbraw/zinc/76/72/83/1043767283.db2.gz VJQLCAICVNFPSN-UHFFFAOYSA-N 1 2 344.374 3.886 20 0 EHADLO C[C@@H]1CCN(c2nc3ccccc3n3cccc23)C[C@@H]1n1cc[nH+]c1 ZINC000663714691 1043786456 /nfs/dbraw/zinc/78/64/56/1043786456.db2.gz YIPPABDIBYJXGJ-BEFAXECRSA-N 1 2 331.423 3.772 20 0 EHADLO CN(C)c1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)c[nH+]1 ZINC000162959357 1043863606 /nfs/dbraw/zinc/86/36/06/1043863606.db2.gz FNILVXJWIWYNOT-UHFFFAOYSA-N 1 2 349.360 3.665 20 0 EHADLO Fc1ccc(Cl)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000187265503 1043919636 /nfs/dbraw/zinc/91/96/36/1043919636.db2.gz SUWRNLJRIYMTCI-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(C)ccc1OC ZINC000279416797 1044058471 /nfs/dbraw/zinc/05/84/71/1044058471.db2.gz FJABZXYEIMCRPC-GOSISDBHSA-N 1 2 336.439 3.825 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000096992515 1044113992 /nfs/dbraw/zinc/11/39/92/1044113992.db2.gz OXYVXTXOPFMFLN-RBUKOAKNSA-N 1 2 342.483 3.696 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000279605579 1044297944 /nfs/dbraw/zinc/29/79/44/1044297944.db2.gz YPYJZYBTRROAHR-MAUKXSAKSA-N 1 2 343.496 3.860 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000344766816 1044397155 /nfs/dbraw/zinc/39/71/55/1044397155.db2.gz ZCSRXANLUFLFCU-GOSISDBHSA-N 1 2 340.423 3.710 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000344766816 1044397170 /nfs/dbraw/zinc/39/71/70/1044397170.db2.gz ZCSRXANLUFLFCU-GOSISDBHSA-N 1 2 340.423 3.710 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccccc2OCc2ccncc2)s1 ZINC000344769844 1044403849 /nfs/dbraw/zinc/40/38/49/1044403849.db2.gz IPNHQEVCVLRHBM-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)cc1C ZINC000512269332 1044481372 /nfs/dbraw/zinc/48/13/72/1044481372.db2.gz LHBYRMZTYFHDIA-AWEZNQCLSA-N 1 2 329.396 3.639 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCOc3ccc(C)cc3C2)cc1C ZINC000512269332 1044481376 /nfs/dbraw/zinc/48/13/76/1044481376.db2.gz LHBYRMZTYFHDIA-AWEZNQCLSA-N 1 2 329.396 3.639 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(c1ccccc1)c1ccccc1 ZINC000014219833 1044855623 /nfs/dbraw/zinc/85/56/23/1044855623.db2.gz HWLOSJJGQYAYIV-UHFFFAOYSA-N 1 2 329.407 3.607 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000620333137 1125551638 /nfs/dbraw/zinc/55/16/38/1125551638.db2.gz JAJKZPINLBJQOB-IUODEOHRSA-N 1 2 348.244 3.570 20 0 EHADLO COc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1Cc1ccccc1 ZINC000620413378 1125566881 /nfs/dbraw/zinc/56/68/81/1125566881.db2.gz OCTBQIUXJHRSEY-UHFFFAOYSA-N 1 2 349.434 3.901 20 0 EHADLO Cc1cc(C)c(NC(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)[nH+]1 ZINC000572576307 1125576886 /nfs/dbraw/zinc/57/68/86/1125576886.db2.gz RUKUCZMIYPCKCG-UHFFFAOYSA-N 1 2 327.432 3.844 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154508530 1125723579 /nfs/dbraw/zinc/72/35/79/1125723579.db2.gz BSOHQXJNXLFPAY-KRWDZBQOSA-N 1 2 339.439 3.587 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000154816145 1125757926 /nfs/dbraw/zinc/75/79/26/1125757926.db2.gz CVINLDWXJGMBMK-DZGCQCFKSA-N 1 2 346.475 3.544 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000155008276 1125774945 /nfs/dbraw/zinc/77/49/45/1125774945.db2.gz FLNPBVVVVSZXPC-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000155008276 1125774952 /nfs/dbraw/zinc/77/49/52/1125774952.db2.gz FLNPBVVVVSZXPC-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCc2ccccc21 ZINC000734425898 1131233332 /nfs/dbraw/zinc/23/33/32/1131233332.db2.gz DLJNIOQBIUWUPT-AEFFLSMTSA-N 1 2 325.456 3.534 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000625459461 1129886443 /nfs/dbraw/zinc/88/64/43/1129886443.db2.gz XCKIEZYVWKUIDS-GWCFXTLKSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000625459461 1129886448 /nfs/dbraw/zinc/88/64/48/1129886448.db2.gz XCKIEZYVWKUIDS-GWCFXTLKSA-N 1 2 348.231 3.974 20 0 EHADLO Cc1nn(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000185009339 1126735143 /nfs/dbraw/zinc/73/51/43/1126735143.db2.gz YHUZVABARROIJI-UHFFFAOYSA-N 1 2 334.807 3.590 20 0 EHADLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000171176145 1126754853 /nfs/dbraw/zinc/75/48/53/1126754853.db2.gz QWCBGORYRAOUDV-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000171345731 1126762499 /nfs/dbraw/zinc/76/24/99/1126762499.db2.gz FQDGZHNAQVWDEJ-UHFFFAOYSA-N 1 2 330.453 3.603 20 0 EHADLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000171345731 1126762502 /nfs/dbraw/zinc/76/25/02/1126762502.db2.gz FQDGZHNAQVWDEJ-UHFFFAOYSA-N 1 2 330.453 3.603 20 0 EHADLO CCn1c(C[NH+]2CCC(OCC(C)C)CC2)nc2c1cccc2F ZINC000171379866 1126764643 /nfs/dbraw/zinc/76/46/43/1126764643.db2.gz DLFVDWAVUISIGG-UHFFFAOYSA-N 1 2 333.451 3.832 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000172177880 1126783762 /nfs/dbraw/zinc/78/37/62/1126783762.db2.gz MIBAFJNTDUYTIB-LJQANCHMSA-N 1 2 342.414 3.616 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000172266016 1126787185 /nfs/dbraw/zinc/78/71/85/1126787185.db2.gz QFUPSAXXSZGPIJ-IBGZPJMESA-N 1 2 340.471 3.909 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C(F)F)C3CCCCC3)[nH+]c12 ZINC000623007763 1126853958 /nfs/dbraw/zinc/85/39/58/1126853958.db2.gz LAAYMFVFFOMKDZ-INIZCTEOSA-N 1 2 335.398 3.515 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000175020166 1126865053 /nfs/dbraw/zinc/86/50/53/1126865053.db2.gz SYHQPPYKMINZEN-CHWSQXEVSA-N 1 2 334.822 3.835 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccccc3s2)s1 ZINC000175240611 1126868072 /nfs/dbraw/zinc/86/80/72/1126868072.db2.gz CTVNZOGNGGFLEB-MNOVXSKESA-N 1 2 346.481 3.739 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000623121777 1126880545 /nfs/dbraw/zinc/88/05/45/1126880545.db2.gz KPWBGFVYLSOAQB-CQSZACIVSA-N 1 2 330.394 3.755 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000623121777 1126880549 /nfs/dbraw/zinc/88/05/49/1126880549.db2.gz KPWBGFVYLSOAQB-CQSZACIVSA-N 1 2 330.394 3.755 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(C)n1C1CCCCC1 ZINC000623303468 1126911354 /nfs/dbraw/zinc/91/13/54/1126911354.db2.gz CXEPONKBNMPDBF-MRXNPFEDSA-N 1 2 340.471 3.551 20 0 EHADLO CCn1cc(C[N@H+](C)Cn2c(=S)oc3cc(Cl)ccc32)cn1 ZINC000072941945 1126945075 /nfs/dbraw/zinc/94/50/75/1126945075.db2.gz XYUAVCRJPLYMCX-UHFFFAOYSA-N 1 2 336.848 3.923 20 0 EHADLO CCn1cc(C[N@@H+](C)Cn2c(=S)oc3cc(Cl)ccc32)cn1 ZINC000072941945 1126945078 /nfs/dbraw/zinc/94/50/78/1126945078.db2.gz XYUAVCRJPLYMCX-UHFFFAOYSA-N 1 2 336.848 3.923 20 0 EHADLO Cc1ccc([C@H](NC(=O)NCc2c[nH+]c(C)cc2C)C(F)(F)F)o1 ZINC000654244544 1126950858 /nfs/dbraw/zinc/95/08/58/1126950858.db2.gz DXPNVLUOOIUUDF-AWEZNQCLSA-N 1 2 341.333 3.703 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nn1)C(C)C ZINC000623420515 1126950898 /nfs/dbraw/zinc/95/08/98/1126950898.db2.gz DZLNGMCOXNUHGM-SFHVURJKSA-N 1 2 339.418 3.597 20 0 EHADLO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000623615647 1126996626 /nfs/dbraw/zinc/99/66/26/1126996626.db2.gz NNVGUGDKHGFAIB-NOZJJQNGSA-N 1 2 348.777 3.821 20 0 EHADLO Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)ccc1OC(C)C ZINC000178212794 1127012480 /nfs/dbraw/zinc/01/24/80/1127012480.db2.gz UZNZQEIXQBPVBU-UHFFFAOYSA-N 1 2 338.411 3.752 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3[nH]c4ccccc4c3Cl)n2)C1 ZINC000349837775 1127054424 /nfs/dbraw/zinc/05/44/24/1127054424.db2.gz IJPUWSOZMIBSDZ-ZDUSSCGKSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3[nH]c4ccccc4c3Cl)n2)C1 ZINC000349837775 1127054428 /nfs/dbraw/zinc/05/44/28/1127054428.db2.gz IJPUWSOZMIBSDZ-ZDUSSCGKSA-N 1 2 346.818 3.653 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C2CC2)cc1 ZINC000179680316 1127080703 /nfs/dbraw/zinc/08/07/03/1127080703.db2.gz MVJNQBDWWXLWAF-SFHVURJKSA-N 1 2 327.428 3.977 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623925604 1127217654 /nfs/dbraw/zinc/21/76/54/1127217654.db2.gz KGFSXPBPUHEHBJ-RKDXNWHRSA-N 1 2 330.329 3.937 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000623960143 1127222773 /nfs/dbraw/zinc/22/27/73/1127222773.db2.gz MFBQFVQIYTVZJV-SNVBAGLBSA-N 1 2 342.340 3.623 20 0 EHADLO CCn1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)n1 ZINC000624159672 1127260949 /nfs/dbraw/zinc/26/09/49/1127260949.db2.gz LYCQMDBADFADCK-UHFFFAOYSA-N 1 2 349.438 3.664 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@H]2CCCn3ccnc32)c1F ZINC000624162402 1127262182 /nfs/dbraw/zinc/26/21/82/1127262182.db2.gz YJNPOPNTFIBBJC-NSHDSACASA-N 1 2 342.187 3.549 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000181002601 1127263752 /nfs/dbraw/zinc/26/37/52/1127263752.db2.gz RIDRELFGQMJRGP-PXAZEXFGSA-N 1 2 333.407 3.937 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000181325689 1127274023 /nfs/dbraw/zinc/27/40/23/1127274023.db2.gz ZGYBERFOXWHAFC-CRAIPNDOSA-N 1 2 337.423 3.851 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000181335871 1127274181 /nfs/dbraw/zinc/27/41/81/1127274181.db2.gz HGOZTHVLNQRAOP-ZFWWWQNUSA-N 1 2 343.452 3.912 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181199260 1127269788 /nfs/dbraw/zinc/26/97/88/1127269788.db2.gz BXORMCPDINXLEH-SJLPKXTDSA-N 1 2 343.471 3.916 20 0 EHADLO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000181238654 1127270788 /nfs/dbraw/zinc/27/07/88/1127270788.db2.gz IEPDDHJORJBYFT-CRAIPNDOSA-N 1 2 341.455 3.985 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181227060 1127270858 /nfs/dbraw/zinc/27/08/58/1127270858.db2.gz XIMBSUFKKSDZHA-APWZRJJASA-N 1 2 349.434 3.994 20 0 EHADLO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000182327466 1127323682 /nfs/dbraw/zinc/32/36/82/1127323682.db2.gz WWCAQPYAUCZWDZ-IAQYHMDHSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@H](C)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000182327466 1127323686 /nfs/dbraw/zinc/32/36/86/1127323686.db2.gz WWCAQPYAUCZWDZ-IAQYHMDHSA-N 1 2 345.270 3.821 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000182350760 1127325628 /nfs/dbraw/zinc/32/56/28/1127325628.db2.gz AMTHVVWYFRSZDR-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000182350760 1127325631 /nfs/dbraw/zinc/32/56/31/1127325631.db2.gz AMTHVVWYFRSZDR-FOIQADDNSA-N 1 2 327.399 3.861 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(-c3cccs3)no2)c1 ZINC000182535391 1127335883 /nfs/dbraw/zinc/33/58/83/1127335883.db2.gz PUPGRLXFCSESQV-NSHDSACASA-N 1 2 342.424 3.607 20 0 EHADLO c1[nH+]cn2c1c(N1CC3(CCOCC3)[C@H]3CCC[C@H]31)nc1ccccc12 ZINC000624255681 1127342896 /nfs/dbraw/zinc/34/28/96/1127342896.db2.gz SIZBZBSJTWLUFH-DOTOQJQBSA-N 1 2 348.450 3.668 20 0 EHADLO CCCOc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182881988 1127352327 /nfs/dbraw/zinc/35/23/27/1127352327.db2.gz WLRWKBDETKGONU-INIZCTEOSA-N 1 2 341.455 3.880 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)Cc2ccccc2N2CCOCC2)s1 ZINC000182963977 1127356860 /nfs/dbraw/zinc/35/68/60/1127356860.db2.gz YOPBNQGNHQLPTR-UHFFFAOYSA-N 1 2 345.512 3.735 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)s1 ZINC000182963977 1127356865 /nfs/dbraw/zinc/35/68/65/1127356865.db2.gz YOPBNQGNHQLPTR-UHFFFAOYSA-N 1 2 345.512 3.735 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1OCC(F)(F)F ZINC000183364247 1127374603 /nfs/dbraw/zinc/37/46/03/1127374603.db2.gz MMEKLGBDEXDJPP-UHFFFAOYSA-N 1 2 333.325 3.522 20 0 EHADLO Fc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1OCC(F)(F)F ZINC000183364247 1127374607 /nfs/dbraw/zinc/37/46/07/1127374607.db2.gz MMEKLGBDEXDJPP-UHFFFAOYSA-N 1 2 333.325 3.522 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000183628375 1127382686 /nfs/dbraw/zinc/38/26/86/1127382686.db2.gz MKJWYVPJCSAYQX-QGZVFWFLSA-N 1 2 325.437 3.710 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184144576 1127395835 /nfs/dbraw/zinc/39/58/35/1127395835.db2.gz ZIJBMYXZNYQNQP-SFHVURJKSA-N 1 2 344.455 3.784 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000184247932 1127399795 /nfs/dbraw/zinc/39/97/95/1127399795.db2.gz RIUKDARYWVNNJM-ZBFHGGJFSA-N 1 2 331.485 3.760 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184476461 1127405992 /nfs/dbraw/zinc/40/59/92/1127405992.db2.gz TVFYSYGHOXWCGO-UONOGXRCSA-N 1 2 339.549 3.984 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N(CC)c2ccccc2)o1 ZINC000184857282 1127415116 /nfs/dbraw/zinc/41/51/16/1127415116.db2.gz MGDXEPPJDZINJL-YJBOKZPZSA-N 1 2 344.455 3.561 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1nccs1 ZINC000185093200 1127420018 /nfs/dbraw/zinc/42/00/18/1127420018.db2.gz DKRKOVRSJJCITL-SNVBAGLBSA-N 1 2 348.453 3.539 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000193509085 1127438370 /nfs/dbraw/zinc/43/83/70/1127438370.db2.gz NXRJVYAPODWUMG-IBGZPJMESA-N 1 2 329.419 3.540 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000350596991 1127476017 /nfs/dbraw/zinc/47/60/17/1127476017.db2.gz IRXZGGJNWOFDOY-UHFFFAOYSA-N 1 2 340.349 3.582 20 0 EHADLO COC[C@@]1(C)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000381390312 1127484014 /nfs/dbraw/zinc/48/40/14/1127484014.db2.gz RSWFXLPXCLWFCS-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@@]1(C)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000381390312 1127484016 /nfs/dbraw/zinc/48/40/16/1127484016.db2.gz RSWFXLPXCLWFCS-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764876835 1127547481 /nfs/dbraw/zinc/54/74/81/1127547481.db2.gz BQKCZKBZASIQAK-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764876835 1127547482 /nfs/dbraw/zinc/54/74/82/1127547482.db2.gz BQKCZKBZASIQAK-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO Cc1cccc(C[N@H+](C)Cn2ncc(Br)c2C2CC2)c1 ZINC000764900182 1127549699 /nfs/dbraw/zinc/54/96/99/1127549699.db2.gz LHAGEXZHANQBHK-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cn2ncc(Br)c2C2CC2)c1 ZINC000764900182 1127549700 /nfs/dbraw/zinc/54/97/00/1127549700.db2.gz LHAGEXZHANQBHK-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)CC1 ZINC000765014397 1127562869 /nfs/dbraw/zinc/56/28/69/1127562869.db2.gz QNNRRFWVOFHAKX-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)CC1 ZINC000765014397 1127562871 /nfs/dbraw/zinc/56/28/71/1127562871.db2.gz QNNRRFWVOFHAKX-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765063379 1127571494 /nfs/dbraw/zinc/57/14/94/1127571494.db2.gz YPZKERUHOCXLSA-STQMWFEESA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765063379 1127571496 /nfs/dbraw/zinc/57/14/96/1127571496.db2.gz YPZKERUHOCXLSA-STQMWFEESA-N 1 2 334.464 3.928 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000765087419 1127572336 /nfs/dbraw/zinc/57/23/36/1127572336.db2.gz LUBYQJFUYUTMKD-HNNXBMFYSA-N 1 2 328.481 3.657 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(C(F)F)cc2)c(N(C)C)[nH+]1 ZINC000765223113 1127586613 /nfs/dbraw/zinc/58/66/13/1127586613.db2.gz CDOSCDZMIMVDDF-UHFFFAOYSA-N 1 2 334.370 3.715 20 0 EHADLO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921524017 1127625234 /nfs/dbraw/zinc/62/52/34/1127625234.db2.gz XSTKUYHVDJXPEI-UHFFFAOYSA-N 1 2 343.471 3.744 20 0 EHADLO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000010896590 1127632836 /nfs/dbraw/zinc/63/28/36/1127632836.db2.gz IAIXDXTVMKWASE-UHFFFAOYSA-N 1 2 339.443 3.522 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924238 1127649287 /nfs/dbraw/zinc/64/92/87/1127649287.db2.gz GGMMQRNGMWOTND-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924238 1127649289 /nfs/dbraw/zinc/64/92/89/1127649289.db2.gz GGMMQRNGMWOTND-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014924161 1127649422 /nfs/dbraw/zinc/64/94/22/1127649422.db2.gz XGGYLSMVDLUPOX-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014924161 1127649423 /nfs/dbraw/zinc/64/94/23/1127649423.db2.gz XGGYLSMVDLUPOX-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO CC(C)n1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000172012249 1127658138 /nfs/dbraw/zinc/65/81/38/1127658138.db2.gz BAMVAYFQLQLHCI-UHFFFAOYSA-N 1 2 335.398 3.786 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)o1 ZINC000016377554 1127661559 /nfs/dbraw/zinc/66/15/59/1127661559.db2.gz WXTSBGQCDCHPKC-HNNXBMFYSA-N 1 2 344.480 3.937 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)o1 ZINC000016377554 1127661561 /nfs/dbraw/zinc/66/15/61/1127661561.db2.gz WXTSBGQCDCHPKC-HNNXBMFYSA-N 1 2 344.480 3.937 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000386483727 1127685252 /nfs/dbraw/zinc/68/52/52/1127685252.db2.gz ITSAVCXLXIFSCM-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000386483727 1127685253 /nfs/dbraw/zinc/68/52/53/1127685253.db2.gz ITSAVCXLXIFSCM-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000023638522 1127698487 /nfs/dbraw/zinc/69/84/87/1127698487.db2.gz BTVFXERWARIVKR-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO CSc1c(F)cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)cc1F ZINC001127914439 1127702953 /nfs/dbraw/zinc/70/29/53/1127702953.db2.gz XIAQKAGGERLZCY-UHFFFAOYSA-N 1 2 333.363 3.895 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245178 1127703635 /nfs/dbraw/zinc/70/36/35/1127703635.db2.gz OUQMRMINSIKTAN-CHWSQXEVSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245178 1127703636 /nfs/dbraw/zinc/70/36/36/1127703636.db2.gz OUQMRMINSIKTAN-CHWSQXEVSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)o1 ZINC000921552490 1127727545 /nfs/dbraw/zinc/72/75/45/1127727545.db2.gz LMKKZWATTSFPIV-FZMZJTMJSA-N 1 2 328.441 3.550 20 0 EHADLO c1nc(Nc2ccc[nH+]c2N2CCOCC2)sc1-c1ccccc1 ZINC001212349865 1127731741 /nfs/dbraw/zinc/73/17/41/1127731741.db2.gz JIHFPFYOZCKHCM-UHFFFAOYSA-N 1 2 338.436 3.785 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000028694912 1127790261 /nfs/dbraw/zinc/79/02/61/1127790261.db2.gz JMSBHTBXBVZXGL-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029434875 1127800948 /nfs/dbraw/zinc/80/09/48/1127800948.db2.gz FVQUKYOACHKINT-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000029538496 1127802941 /nfs/dbraw/zinc/80/29/41/1127802941.db2.gz LUYBDJDRBJXWQP-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000029538496 1127802947 /nfs/dbraw/zinc/80/29/47/1127802947.db2.gz LUYBDJDRBJXWQP-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)[C@H](C)c3cccs3)o2)cc1 ZINC000029594617 1127803392 /nfs/dbraw/zinc/80/33/92/1127803392.db2.gz RJRXDYHCVQXHOO-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccs3)o2)cc1 ZINC000029594617 1127803395 /nfs/dbraw/zinc/80/33/95/1127803395.db2.gz RJRXDYHCVQXHOO-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC(F)(F)F ZINC000104678487 1127891214 /nfs/dbraw/zinc/89/12/14/1127891214.db2.gz MZPORGSFFWVEBY-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC(F)(F)F ZINC000104678487 1127891217 /nfs/dbraw/zinc/89/12/17/1127891217.db2.gz MZPORGSFFWVEBY-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1Cc1ccccc1 ZINC000043339627 1127918053 /nfs/dbraw/zinc/91/80/53/1127918053.db2.gz MAALIPJGDUPKHL-UHFFFAOYSA-N 1 2 334.423 3.686 20 0 EHADLO CN(Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043518121 1127921455 /nfs/dbraw/zinc/92/14/55/1127921455.db2.gz QFRMFWMFIGUTHO-UHFFFAOYSA-N 1 2 344.484 3.793 20 0 EHADLO c1cn2c(C[N@@H+]3CCOC4(CCC4)C3)c(-c3ccccc3)nc2s1 ZINC000765759682 1127921944 /nfs/dbraw/zinc/92/19/44/1127921944.db2.gz FXMWOVXQYYPJOM-UHFFFAOYSA-N 1 2 339.464 3.818 20 0 EHADLO c1cn2c(C[N@H+]3CCOC4(CCC4)C3)c(-c3ccccc3)nc2s1 ZINC000765759682 1127921947 /nfs/dbraw/zinc/92/19/47/1127921947.db2.gz FXMWOVXQYYPJOM-UHFFFAOYSA-N 1 2 339.464 3.818 20 0 EHADLO CCCc1noc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741693 1127940933 /nfs/dbraw/zinc/94/09/33/1127940933.db2.gz DEGHRMSLHYFNTI-CQSZACIVSA-N 1 2 348.878 3.554 20 0 EHADLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3nccs3)CC2)c1 ZINC000338632872 1127942448 /nfs/dbraw/zinc/94/24/48/1127942448.db2.gz MZDKZBIVLVKRNW-UHFFFAOYSA-N 1 2 336.432 3.621 20 0 EHADLO O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045018874 1127944459 /nfs/dbraw/zinc/94/44/59/1127944459.db2.gz IHLQHXSEYUICJW-UHFFFAOYSA-N 1 2 349.419 3.635 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccsc2)C[C@@H](C)O1 ZINC000046342772 1127976317 /nfs/dbraw/zinc/97/63/17/1127976317.db2.gz ZJWCCCDCIGUSDJ-ZIAGYGMSSA-N 1 2 330.453 3.610 20 0 EHADLO O=C(CCCC1CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617758 1127984609 /nfs/dbraw/zinc/98/46/09/1127984609.db2.gz WWWCFPJWNQXKIE-UHFFFAOYSA-N 1 2 329.488 3.917 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084060750 1127986742 /nfs/dbraw/zinc/98/67/42/1127986742.db2.gz YSDWHFHFBGWWTA-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084060750 1127986744 /nfs/dbraw/zinc/98/67/44/1127986744.db2.gz YSDWHFHFBGWWTA-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO CC(=O)c1ccc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362819 1128003414 /nfs/dbraw/zinc/00/34/14/1128003414.db2.gz QWJHSYUTACMBOH-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO Cc1ccc(C(F)(F)F)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362969 1128009380 /nfs/dbraw/zinc/00/93/80/1128009380.db2.gz XUSHQSIABQRCDB-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO CC(C)(C)c1ccc(O)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362992 1128009397 /nfs/dbraw/zinc/00/93/97/1128009397.db2.gz YWEHGXWBCJAONR-UHFFFAOYSA-N 1 2 327.428 3.665 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCc3ccccc32)c1C ZINC000057610223 1128053308 /nfs/dbraw/zinc/05/33/08/1128053308.db2.gz CTTMPINIAVDWGT-QGZVFWFLSA-N 1 2 339.439 3.536 20 0 EHADLO Cc1cccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000057846869 1128058857 /nfs/dbraw/zinc/05/88/57/1128058857.db2.gz RUQZTUNTCJXUBK-UXBLZVDNSA-N 1 2 336.479 3.705 20 0 EHADLO Nc1cccc2c3ccccc3n(-c3ccc[nH+]c3N3CCOCC3)c21 ZINC001212369146 1128060267 /nfs/dbraw/zinc/06/02/67/1128060267.db2.gz UDYXFYMVWXPJMJ-UHFFFAOYSA-N 1 2 344.418 3.598 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000058464953 1128068812 /nfs/dbraw/zinc/06/88/12/1128068812.db2.gz HDZMEEAYAYWKMY-UHFFFAOYSA-N 1 2 333.435 3.525 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3cccc4c3OCCCO4)co2)c1 ZINC000064411886 1128072592 /nfs/dbraw/zinc/07/25/92/1128072592.db2.gz VDGXPGKSTXMMTA-UHFFFAOYSA-N 1 2 342.420 3.854 20 0 EHADLO CCc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058605743 1128073779 /nfs/dbraw/zinc/07/37/79/1128073779.db2.gz YUNMAXHEUAFKMU-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000058794878 1128081229 /nfs/dbraw/zinc/08/12/29/1128081229.db2.gz FPNYSUUZTODMEE-UKRRQHHQSA-N 1 2 345.512 3.914 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282217946 1128093724 /nfs/dbraw/zinc/09/37/24/1128093724.db2.gz HADLKUUXPITJMP-KRWDZBQOSA-N 1 2 337.467 3.856 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(Cl)s1 ZINC000060935484 1128116685 /nfs/dbraw/zinc/11/66/85/1128116685.db2.gz HIPDCXKQYYZQHV-OCCSQVGLSA-N 1 2 328.909 3.918 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(Cl)s1 ZINC000060935484 1128116687 /nfs/dbraw/zinc/11/66/87/1128116687.db2.gz HIPDCXKQYYZQHV-OCCSQVGLSA-N 1 2 328.909 3.918 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1Br ZINC000061800314 1128129289 /nfs/dbraw/zinc/12/92/89/1128129289.db2.gz GDAHKPJFQJMIRI-UHFFFAOYSA-N 1 2 334.213 3.810 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1Br ZINC000061800314 1128129290 /nfs/dbraw/zinc/12/92/90/1128129290.db2.gz GDAHKPJFQJMIRI-UHFFFAOYSA-N 1 2 334.213 3.810 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000186191813 1128133357 /nfs/dbraw/zinc/13/33/57/1128133357.db2.gz PLIVRHKLILYVLL-JTQLQIEISA-N 1 2 339.208 3.848 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000063522222 1128147056 /nfs/dbraw/zinc/14/70/56/1128147056.db2.gz APQXHJJRHFOSRI-UHFFFAOYSA-N 1 2 335.860 3.708 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000063522222 1128147058 /nfs/dbraw/zinc/14/70/58/1128147058.db2.gz APQXHJJRHFOSRI-UHFFFAOYSA-N 1 2 335.860 3.708 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)CC2 ZINC000065162918 1128186460 /nfs/dbraw/zinc/18/64/60/1128186460.db2.gz AJSRWWCYUKQHGL-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(C(C)C)c1)CC2 ZINC000065162918 1128186462 /nfs/dbraw/zinc/18/64/62/1128186462.db2.gz AJSRWWCYUKQHGL-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO CC(C)C[C@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067818788 1128250942 /nfs/dbraw/zinc/25/09/42/1128250942.db2.gz XKOIZAKRIZVVGZ-INIZCTEOSA-N 1 2 329.444 3.973 20 0 EHADLO CCCCS[C@@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000070750443 1128294874 /nfs/dbraw/zinc/29/48/74/1128294874.db2.gz OKLIWKLJGRTMFD-INIZCTEOSA-N 1 2 345.512 3.512 20 0 EHADLO CCCCS[C@@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000070889456 1128296304 /nfs/dbraw/zinc/29/63/04/1128296304.db2.gz JDZSMPRJNGTZEU-HNNXBMFYSA-N 1 2 347.484 3.822 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3(c4ccccc4)CCCC3)[nH+]c12 ZINC000070956164 1128296736 /nfs/dbraw/zinc/29/67/36/1128296736.db2.gz BCUYLKAKCLPDQI-UHFFFAOYSA-N 1 2 333.435 3.771 20 0 EHADLO CCO[C@H](CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1=CCCC1 ZINC000073056905 1128314923 /nfs/dbraw/zinc/31/49/23/1128314923.db2.gz QZTNVJAPZVMJSW-GOSISDBHSA-N 1 2 346.471 3.571 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000073566096 1128325101 /nfs/dbraw/zinc/32/51/01/1128325101.db2.gz GAOICGZZOVPOKP-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000073741261 1128328191 /nfs/dbraw/zinc/32/81/91/1128328191.db2.gz HXMJLAAOFQMIHJ-HNNXBMFYSA-N 1 2 330.432 3.518 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000047931862 1128415473 /nfs/dbraw/zinc/41/54/73/1128415473.db2.gz YXCMMEAPDDKQMN-AWEZNQCLSA-N 1 2 333.391 3.530 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(F)(F)F ZINC000624528247 1128387183 /nfs/dbraw/zinc/38/71/83/1128387183.db2.gz KZDVOHTYZAZPMR-JTQLQIEISA-N 1 2 335.395 3.656 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000624597195 1128402291 /nfs/dbraw/zinc/40/22/91/1128402291.db2.gz YIEXVOSZZSEOON-RTBURBONSA-N 1 2 334.463 3.702 20 0 EHADLO C[N@@H+]1CCOC[C@H]1CNc1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000624621157 1128410707 /nfs/dbraw/zinc/41/07/07/1128410707.db2.gz VPPWSQSUSNFPNC-LLVKDONJSA-N 1 2 341.789 3.568 20 0 EHADLO C[N@H+]1CCOC[C@H]1CNc1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000624621157 1128410710 /nfs/dbraw/zinc/41/07/10/1128410710.db2.gz VPPWSQSUSNFPNC-LLVKDONJSA-N 1 2 341.789 3.568 20 0 EHADLO C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCCC1)Cn1cc[nH+]c1 ZINC000153490496 1128431963 /nfs/dbraw/zinc/43/19/63/1128431963.db2.gz CVRMQKCYFVQMNA-OAHLLOKOSA-N 1 2 345.874 3.801 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CCc3cncc(C)c3)cc2)[nH+]c1C ZINC000921657588 1128438727 /nfs/dbraw/zinc/43/87/27/1128438727.db2.gz WIKQAWAJLIHZKG-UHFFFAOYSA-N 1 2 334.423 3.968 20 0 EHADLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921658997 1128439258 /nfs/dbraw/zinc/43/92/58/1128439258.db2.gz GUZVYMZUCXDZOT-DLBZAZTESA-N 1 2 327.428 3.837 20 0 EHADLO CC(=O)OCC(C)(C)CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921662847 1128440537 /nfs/dbraw/zinc/44/05/37/1128440537.db2.gz PFQUHOPHUYFCES-UHFFFAOYSA-N 1 2 343.427 3.611 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)COC3CCCCC3)cc2)[nH+]c1C ZINC000921666226 1128445021 /nfs/dbraw/zinc/44/50/21/1128445021.db2.gz XZHDQKSLVUFWFT-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C3CCCC3)no2)c(C)c1OC ZINC000347631632 1128460408 /nfs/dbraw/zinc/46/04/08/1128460408.db2.gz QEHFAPRBMICWBT-CYBMUJFWSA-N 1 2 345.443 3.904 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655165537 1128473402 /nfs/dbraw/zinc/47/34/02/1128473402.db2.gz QWPSPFAUVMSUNX-CYBMUJFWSA-N 1 2 325.412 3.610 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655165537 1128473404 /nfs/dbraw/zinc/47/34/04/1128473404.db2.gz QWPSPFAUVMSUNX-CYBMUJFWSA-N 1 2 325.412 3.610 20 0 EHADLO CC(C)(C)c1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000338679925 1128509056 /nfs/dbraw/zinc/50/90/56/1128509056.db2.gz VQHUZMWZIWQRBO-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(C(=O)OC(C)(C)C)n1)CCC2 ZINC000338685495 1128525718 /nfs/dbraw/zinc/52/57/18/1128525718.db2.gz LNMWLNHDJGMKTO-AWEZNQCLSA-N 1 2 342.443 3.531 20 0 EHADLO COc1ccc([C@@H]2CCN(c3[nH+]ccc4c(N)cccc43)C2)cc1F ZINC000624735881 1128543580 /nfs/dbraw/zinc/54/35/80/1128543580.db2.gz BUORAEDDHIMYLU-CQSZACIVSA-N 1 2 337.398 3.959 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@H]1CCNc2ccccc21 ZINC001168640612 1128561456 /nfs/dbraw/zinc/56/14/56/1128561456.db2.gz LAXMQNXLRRHVCC-KRWDZBQOSA-N 1 2 325.412 3.546 20 0 EHADLO COCC1(c2noc(-c3ccn4c(C)c[nH+]c4c3)n2)CCCCC1 ZINC000656022228 1128654698 /nfs/dbraw/zinc/65/46/98/1128654698.db2.gz WLCCCGFBWJALFD-UHFFFAOYSA-N 1 2 326.400 3.541 20 0 EHADLO Cc1ccc(N[C@@H]2CCNc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001168650966 1128654733 /nfs/dbraw/zinc/65/47/33/1128654733.db2.gz WCLSKNVUHGQERL-OAQYLSRUSA-N 1 2 337.467 3.796 20 0 EHADLO CC(C)(C)CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000153786158 1128683404 /nfs/dbraw/zinc/68/34/04/1128683404.db2.gz LJFLJUABRBXYIE-UHFFFAOYSA-N 1 2 328.460 3.557 20 0 EHADLO CCOC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000060483845 1128733497 /nfs/dbraw/zinc/73/34/97/1128733497.db2.gz WFHJIPDNZGXDKS-UHFFFAOYSA-N 1 2 332.469 3.723 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953102 1128772955 /nfs/dbraw/zinc/77/29/55/1128772955.db2.gz BUWLBRQACBJUMR-AHIWAGSCSA-N 1 2 338.879 3.721 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953102 1128772957 /nfs/dbraw/zinc/77/29/57/1128772957.db2.gz BUWLBRQACBJUMR-AHIWAGSCSA-N 1 2 338.879 3.721 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921807325 1128779192 /nfs/dbraw/zinc/77/91/92/1128779192.db2.gz MMZSBGRFAFVXPO-UHFFFAOYSA-N 1 2 339.361 3.714 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149822 1128801887 /nfs/dbraw/zinc/80/18/87/1128801887.db2.gz YKPYBKAZGKVLCA-IBGZPJMESA-N 1 2 345.446 3.536 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC000672150108 1128805967 /nfs/dbraw/zinc/80/59/67/1128805967.db2.gz GELJSBAQPYASNH-QGZVFWFLSA-N 1 2 337.467 3.525 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338742783 1128815317 /nfs/dbraw/zinc/81/53/17/1128815317.db2.gz PTRNHKDXIQRISE-UHFFFAOYSA-N 1 2 347.846 3.628 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)CC2)c(Br)c1 ZINC000063308946 1128869637 /nfs/dbraw/zinc/86/96/37/1128869637.db2.gz ILKALMNTASQTDM-GFCCVEGCSA-N 1 2 339.277 3.818 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)CC2)c(Br)c1 ZINC000063308946 1128869639 /nfs/dbraw/zinc/86/96/39/1128869639.db2.gz ILKALMNTASQTDM-GFCCVEGCSA-N 1 2 339.277 3.818 20 0 EHADLO FCCn1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000921878051 1128872957 /nfs/dbraw/zinc/87/29/57/1128872957.db2.gz KRCNLSSHQWDXLU-UHFFFAOYSA-N 1 2 339.418 3.665 20 0 EHADLO O=C(CC(C1CC1)C1CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000065067947 1120042197 /nfs/dbraw/zinc/04/21/97/1120042197.db2.gz JSMJKMIDFSINTF-UHFFFAOYSA-N 1 2 339.439 3.727 20 0 EHADLO C[C@H]1CCCCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC001670371329 1120043768 /nfs/dbraw/zinc/04/37/68/1120043768.db2.gz PKEOFJDEDGLTLZ-AWEZNQCLSA-N 1 2 326.444 3.955 20 0 EHADLO CC1(C)CCC[C@H](C[NH2+]c2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC001648841404 1120053001 /nfs/dbraw/zinc/05/30/01/1120053001.db2.gz PGTOXXMKWFALDL-AWEZNQCLSA-N 1 2 349.906 3.905 20 0 EHADLO COc1nsc(CNc2ccc(N3CCCCC3)c[nH+]2)c1Cl ZINC001648874196 1120059575 /nfs/dbraw/zinc/05/95/75/1120059575.db2.gz QVEXYOHSSOJMDG-UHFFFAOYSA-N 1 2 338.864 3.803 20 0 EHADLO COc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000072938841 1120068852 /nfs/dbraw/zinc/06/88/52/1120068852.db2.gz JPJUZMIQWTXFBZ-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110039632 1120132438 /nfs/dbraw/zinc/13/24/38/1120132438.db2.gz VPJCIAYXTHGABU-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110039632 1120132441 /nfs/dbraw/zinc/13/24/41/1120132441.db2.gz VPJCIAYXTHGABU-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO CCCCOc1ccccc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000128906565 1120133825 /nfs/dbraw/zinc/13/38/25/1120133825.db2.gz RVPQPLWXASLYRB-UHFFFAOYSA-N 1 2 336.439 3.736 20 0 EHADLO CCCC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000083220143 1120134354 /nfs/dbraw/zinc/13/43/54/1120134354.db2.gz SIQQOJSRYFMAEO-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000542947836 1128895787 /nfs/dbraw/zinc/89/57/87/1128895787.db2.gz JLKLHJWNIOCUHI-QGZVFWFLSA-N 1 2 338.451 3.711 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000542947836 1128895790 /nfs/dbraw/zinc/89/57/90/1128895790.db2.gz JLKLHJWNIOCUHI-QGZVFWFLSA-N 1 2 338.451 3.711 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687360884 1120176207 /nfs/dbraw/zinc/17/62/07/1120176207.db2.gz LMHTWCDYDYITIJ-OZOXKJRCSA-N 1 2 349.478 3.761 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687360884 1120176210 /nfs/dbraw/zinc/17/62/10/1120176210.db2.gz LMHTWCDYDYITIJ-OZOXKJRCSA-N 1 2 349.478 3.761 20 0 EHADLO CCOc1ccccc1CN1CC[N@H+](CCC(F)(F)F)[C@H](C)C1 ZINC000441346348 1120268653 /nfs/dbraw/zinc/26/86/53/1120268653.db2.gz JDFKVWQQVLXRQB-CQSZACIVSA-N 1 2 330.394 3.544 20 0 EHADLO CCOc1ccccc1CN1CC[N@@H+](CCC(F)(F)F)[C@H](C)C1 ZINC000441346348 1120268657 /nfs/dbraw/zinc/26/86/57/1120268657.db2.gz JDFKVWQQVLXRQB-CQSZACIVSA-N 1 2 330.394 3.544 20 0 EHADLO C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000176985730 1120309972 /nfs/dbraw/zinc/30/99/72/1120309972.db2.gz HCDBSRYDWVIIPN-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000355318066 1128911048 /nfs/dbraw/zinc/91/10/48/1128911048.db2.gz NDESJJGFQKCUPY-ZIAGYGMSSA-N 1 2 345.409 3.663 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000355251531 1128911946 /nfs/dbraw/zinc/91/19/46/1128911946.db2.gz DKVWAJUMFOZJDS-UHFFFAOYSA-N 1 2 341.798 3.796 20 0 EHADLO Cc1c(-c2cc(C[N@H+](C)Cc3ccc(F)cc3Cl)on2)cnn1C ZINC000184538892 1120378997 /nfs/dbraw/zinc/37/89/97/1120378997.db2.gz RJWMQWWBDDPFHG-UHFFFAOYSA-N 1 2 348.809 3.808 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](C)Cc3ccc(F)cc3Cl)on2)cnn1C ZINC000184538892 1120379003 /nfs/dbraw/zinc/37/90/03/1120379003.db2.gz RJWMQWWBDDPFHG-UHFFFAOYSA-N 1 2 348.809 3.808 20 0 EHADLO COCC1=CC[N@H+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000185866969 1120432805 /nfs/dbraw/zinc/43/28/05/1120432805.db2.gz JSDYCCYTIKBNGS-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO COCC1=CC[N@@H+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000185866969 1120432807 /nfs/dbraw/zinc/43/28/07/1120432807.db2.gz JSDYCCYTIKBNGS-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO Brc1cncc(CNc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000186600104 1120467711 /nfs/dbraw/zinc/46/77/11/1120467711.db2.gz JEIRCNDDLDCXIM-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000494303523 1120530481 /nfs/dbraw/zinc/53/04/81/1120530481.db2.gz KGXFHXYUAWGFMM-CYBMUJFWSA-N 1 2 347.459 3.683 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494393324 1120554110 /nfs/dbraw/zinc/55/41/10/1120554110.db2.gz OONJQRFPPKDAAA-UONOGXRCSA-N 1 2 336.443 3.544 20 0 EHADLO CCCCn1c(SC[C@@H]2CC[C@@H](C)O2)nnc1[C@@H](CC)[NH+](C)C ZINC000189988401 1120620484 /nfs/dbraw/zinc/62/04/84/1120620484.db2.gz LKPZNDMWLRIZRJ-QLFBSQMISA-N 1 2 340.537 3.751 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000191673161 1120685900 /nfs/dbraw/zinc/68/59/00/1120685900.db2.gz YVZFEPZYGCUUOF-ZLDLUXBVSA-N 1 2 348.493 3.645 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000191673161 1120685903 /nfs/dbraw/zinc/68/59/03/1120685903.db2.gz YVZFEPZYGCUUOF-ZLDLUXBVSA-N 1 2 348.493 3.645 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000494664200 1120715754 /nfs/dbraw/zinc/71/57/54/1120715754.db2.gz GRFXNVITEQCQSA-MRXNPFEDSA-N 1 2 347.409 3.542 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000494664200 1120715758 /nfs/dbraw/zinc/71/57/58/1120715758.db2.gz GRFXNVITEQCQSA-MRXNPFEDSA-N 1 2 347.409 3.542 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2cccc(Br)c2)c(C)[nH+]1 ZINC000195252982 1120773093 /nfs/dbraw/zinc/77/30/93/1120773093.db2.gz IARKXPQHPCKOLJ-UHFFFAOYSA-N 1 2 333.229 3.951 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665799 1128939600 /nfs/dbraw/zinc/93/96/00/1128939600.db2.gz TZZKKQQJFMUOPP-IUODEOHRSA-N 1 2 346.475 3.803 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665799 1128939604 /nfs/dbraw/zinc/93/96/04/1128939604.db2.gz TZZKKQQJFMUOPP-IUODEOHRSA-N 1 2 346.475 3.803 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(C2CCC2)cc1 ZINC000494782728 1120807372 /nfs/dbraw/zinc/80/73/72/1120807372.db2.gz CKYPRQZQHLKKTG-UHFFFAOYSA-N 1 2 338.455 3.651 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)NCCC3CCCCC3)CCC2)n1 ZINC000494786657 1120817558 /nfs/dbraw/zinc/81/75/58/1120817558.db2.gz GIQIOOSTFNTKLB-UHFFFAOYSA-N 1 2 335.517 3.507 20 0 EHADLO OC[C@@]1(F)CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000670111378 1120880473 /nfs/dbraw/zinc/88/04/73/1120880473.db2.gz VNLLKCLXWHSIAG-MRXNPFEDSA-N 1 2 338.220 3.509 20 0 EHADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000670111378 1120880476 /nfs/dbraw/zinc/88/04/76/1120880476.db2.gz VNLLKCLXWHSIAG-MRXNPFEDSA-N 1 2 338.220 3.509 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000153215031 1120883538 /nfs/dbraw/zinc/88/35/38/1120883538.db2.gz QCEDTYDHTJTBCE-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C)OC[C@H]3C)c2cc1C(C)C ZINC000914576512 1120906675 /nfs/dbraw/zinc/90/66/75/1120906675.db2.gz RHZRMDYURHFUNF-HUUCEWRRSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C)OC[C@H]3C)c2cc1C(C)C ZINC000914576512 1120906678 /nfs/dbraw/zinc/90/66/78/1120906678.db2.gz RHZRMDYURHFUNF-HUUCEWRRSA-N 1 2 329.440 3.834 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000495044489 1120939921 /nfs/dbraw/zinc/93/99/21/1120939921.db2.gz KHMOIUYLAAMVAH-GOSISDBHSA-N 1 2 340.471 3.979 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1cc(F)ccc1F ZINC000171613939 1120942554 /nfs/dbraw/zinc/94/25/54/1120942554.db2.gz DLSIPALNJPYMIZ-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1cc(F)ccc1F ZINC000171613939 1120942556 /nfs/dbraw/zinc/94/25/56/1120942556.db2.gz DLSIPALNJPYMIZ-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1cc(F)ccc1F ZINC000171613933 1120942582 /nfs/dbraw/zinc/94/25/82/1120942582.db2.gz DLSIPALNJPYMIZ-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1cc(F)ccc1F ZINC000171613933 1120942584 /nfs/dbraw/zinc/94/25/84/1120942584.db2.gz DLSIPALNJPYMIZ-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+](CCO)Cc1ccccc1OC ZINC000495091039 1120949056 /nfs/dbraw/zinc/94/90/56/1120949056.db2.gz BLUUMNYPXHXTTM-UHFFFAOYSA-N 1 2 349.858 3.742 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+](CCO)Cc1ccccc1OC ZINC000495091039 1120949059 /nfs/dbraw/zinc/94/90/59/1120949059.db2.gz BLUUMNYPXHXTTM-UHFFFAOYSA-N 1 2 349.858 3.742 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCOC[C@@H]3Cc3ccccc3)s2)c1 ZINC000495093056 1120951450 /nfs/dbraw/zinc/95/14/50/1120951450.db2.gz JONFXAGDGKWKFI-INIZCTEOSA-N 1 2 340.448 3.847 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCOC[C@@H]3Cc3ccccc3)s2)c1 ZINC000495093056 1120951457 /nfs/dbraw/zinc/95/14/57/1120951457.db2.gz JONFXAGDGKWKFI-INIZCTEOSA-N 1 2 340.448 3.847 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914789288 1120988141 /nfs/dbraw/zinc/98/81/41/1120988141.db2.gz BUCILNAOFCWLEZ-CYBMUJFWSA-N 1 2 340.254 3.770 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914789288 1120988144 /nfs/dbraw/zinc/98/81/44/1120988144.db2.gz BUCILNAOFCWLEZ-CYBMUJFWSA-N 1 2 340.254 3.770 20 0 EHADLO Cc1nc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c2ccccn12 ZINC000762077910 1121093789 /nfs/dbraw/zinc/09/37/89/1121093789.db2.gz XPLKKDIYLMBDRE-UHFFFAOYSA-N 1 2 342.362 3.545 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053513609 1121104014 /nfs/dbraw/zinc/10/40/14/1121104014.db2.gz JKGHECDOQDJAPD-UHFFFAOYSA-N 1 2 349.434 3.843 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)s1 ZINC000393367445 1121124194 /nfs/dbraw/zinc/12/41/94/1121124194.db2.gz GYTMPFRQUBTTCG-SECBINFHSA-N 1 2 328.279 3.657 20 0 EHADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1-c1ccccc1 ZINC000762140902 1121128434 /nfs/dbraw/zinc/12/84/34/1121128434.db2.gz WYYLEGOEUAHCGX-CQSZACIVSA-N 1 2 328.485 3.934 20 0 EHADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1-c1ccccc1 ZINC000762140902 1121128437 /nfs/dbraw/zinc/12/84/37/1121128437.db2.gz WYYLEGOEUAHCGX-CQSZACIVSA-N 1 2 328.485 3.934 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1Cl ZINC000064807374 1128964956 /nfs/dbraw/zinc/96/49/56/1128964956.db2.gz CFIREZKXHBEYRL-UHFFFAOYSA-N 1 2 334.847 3.852 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1Cl ZINC000064807374 1128964961 /nfs/dbraw/zinc/96/49/61/1128964961.db2.gz CFIREZKXHBEYRL-UHFFFAOYSA-N 1 2 334.847 3.852 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@@H]2CCCC[C@H]12 ZINC000915209836 1121254517 /nfs/dbraw/zinc/25/45/17/1121254517.db2.gz PCQLGLBDMUYTLR-KBRIMQKVSA-N 1 2 345.418 3.501 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)[C@@H]2CCCC[C@H]12 ZINC000915209836 1121254522 /nfs/dbraw/zinc/25/45/22/1121254522.db2.gz PCQLGLBDMUYTLR-KBRIMQKVSA-N 1 2 345.418 3.501 20 0 EHADLO CC(C)c1ccc2cc(C(=O)NCc3ccn4cc[nH+]c4c3)[nH]c2c1 ZINC000762563861 1121355390 /nfs/dbraw/zinc/35/53/90/1121355390.db2.gz VSTNJAGVMHXDNS-UHFFFAOYSA-N 1 2 332.407 3.869 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(Br)cc1C(F)(F)F ZINC000235158421 1121386020 /nfs/dbraw/zinc/38/60/20/1121386020.db2.gz KZRIIWCNRFFIPP-QMMMGPOBSA-N 1 2 349.154 3.560 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762763643 1121439078 /nfs/dbraw/zinc/43/90/78/1121439078.db2.gz VHGOZZQKSIKRKD-JGVFFNPUSA-N 1 2 342.212 4.000 20 0 EHADLO COc1ccc(OC(F)F)c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237372476 1121481731 /nfs/dbraw/zinc/48/17/31/1121481731.db2.gz JGXCQAGAZMSNAF-UHFFFAOYSA-N 1 2 349.381 3.773 20 0 EHADLO Clc1cc2c(cc1NC1CCN(c3cccc[nH+]3)CC1)OCO2 ZINC000237719955 1121492650 /nfs/dbraw/zinc/49/26/50/1121492650.db2.gz GNUCODDDIBJYHW-UHFFFAOYSA-N 1 2 331.803 3.545 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000113261027 1128993191 /nfs/dbraw/zinc/99/31/91/1128993191.db2.gz WBAHCPNEXDRASN-INIZCTEOSA-N 1 2 343.492 3.751 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000113261027 1128993194 /nfs/dbraw/zinc/99/31/94/1128993194.db2.gz WBAHCPNEXDRASN-INIZCTEOSA-N 1 2 343.492 3.751 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c(F)c1 ZINC000921982333 1128997101 /nfs/dbraw/zinc/99/71/01/1128997101.db2.gz GMSXXKAKFWJEHX-KRWDZBQOSA-N 1 2 345.418 3.557 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000749937841 1121620497 /nfs/dbraw/zinc/62/04/97/1121620497.db2.gz PSCSJTHMHMEOAK-SFHVURJKSA-N 1 2 326.415 3.825 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000749937841 1121620502 /nfs/dbraw/zinc/62/05/02/1121620502.db2.gz PSCSJTHMHMEOAK-SFHVURJKSA-N 1 2 326.415 3.825 20 0 EHADLO CN(C)c1[nH+]cc(CSc2nnc(C3CC3)n2C)c2ccccc21 ZINC000915833542 1121686565 /nfs/dbraw/zinc/68/65/65/1121686565.db2.gz CIYDILLBWXPILD-UHFFFAOYSA-N 1 2 339.468 3.599 20 0 EHADLO CC[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370836 1121709182 /nfs/dbraw/zinc/70/91/82/1121709182.db2.gz NKBBBGFLFBJBQB-IUODEOHRSA-N 1 2 341.858 3.714 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000025445815 1121761118 /nfs/dbraw/zinc/76/11/18/1121761118.db2.gz JKKKCJDXHKRQIV-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000025445815 1121761123 /nfs/dbraw/zinc/76/11/23/1121761123.db2.gz JKKKCJDXHKRQIV-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCOc4cccc(F)c4C3)cc2c1 ZINC000670271822 1121910668 /nfs/dbraw/zinc/91/06/68/1121910668.db2.gz QKLUKMLOZGDWCR-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCOc4cccc(F)c4C3)cc2c1 ZINC000670271822 1121910676 /nfs/dbraw/zinc/91/06/76/1121910676.db2.gz QKLUKMLOZGDWCR-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000763330277 1121961089 /nfs/dbraw/zinc/96/10/89/1121961089.db2.gz CCSFXLKXHROHDO-INIZCTEOSA-N 1 2 328.485 3.790 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000763330277 1121961095 /nfs/dbraw/zinc/96/10/95/1121961095.db2.gz CCSFXLKXHROHDO-INIZCTEOSA-N 1 2 328.485 3.790 20 0 EHADLO Fc1ccccc1Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763332697 1121961879 /nfs/dbraw/zinc/96/18/79/1121961879.db2.gz NEZUSEHBAZKROF-CQSZACIVSA-N 1 2 333.432 3.625 20 0 EHADLO Fc1ccccc1Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763332697 1121961888 /nfs/dbraw/zinc/96/18/88/1121961888.db2.gz NEZUSEHBAZKROF-CQSZACIVSA-N 1 2 333.432 3.625 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444186968 1121964733 /nfs/dbraw/zinc/96/47/33/1121964733.db2.gz UAWPJFJOTYXARE-BRWVUGGUSA-N 1 2 332.492 3.526 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916152895 1122081694 /nfs/dbraw/zinc/08/16/94/1122081694.db2.gz YLTSRFCRSUOCAA-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916152895 1122081704 /nfs/dbraw/zinc/08/17/04/1122081704.db2.gz YLTSRFCRSUOCAA-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO O=C(/C=C/c1ccccc1F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000916608072 1122213902 /nfs/dbraw/zinc/21/39/02/1122213902.db2.gz PHWAKOAHMLWECF-CMDGGOBGSA-N 1 2 345.443 3.920 20 0 EHADLO CC(C)[C@H]1C[C@H](Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496921847 1122214434 /nfs/dbraw/zinc/21/44/34/1122214434.db2.gz RBTFXIGZFHKKDX-HZPDHXFCSA-N 1 2 349.475 3.722 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000126105442 1122385761 /nfs/dbraw/zinc/38/57/61/1122385761.db2.gz ZXPWUXCYMBXGMH-QGZVFWFLSA-N 1 2 329.444 3.861 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000126105442 1122385765 /nfs/dbraw/zinc/38/57/65/1122385765.db2.gz ZXPWUXCYMBXGMH-QGZVFWFLSA-N 1 2 329.444 3.861 20 0 EHADLO c1ccc(Cn2nnnc2C[NH+]2CCC(C3CCCCC3)CC2)cc1 ZINC000917060521 1122460038 /nfs/dbraw/zinc/46/00/38/1122460038.db2.gz VPOLCBAKXWOUQA-UHFFFAOYSA-N 1 2 339.487 3.514 20 0 EHADLO CSC[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171812556 1122625888 /nfs/dbraw/zinc/62/58/88/1122625888.db2.gz ZBASHGGVGJFEMD-CYBMUJFWSA-N 1 2 329.469 3.824 20 0 EHADLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000128750255 1122660302 /nfs/dbraw/zinc/66/03/02/1122660302.db2.gz XTAUVVMQYGQXFQ-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO CC(C)c1nnc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000170692075 1122729944 /nfs/dbraw/zinc/72/99/44/1122729944.db2.gz SVBOYJMWKXEZEA-CQSZACIVSA-N 1 2 348.878 3.725 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC(C2CCCCC2)CC1 ZINC000918141038 1122764967 /nfs/dbraw/zinc/76/49/67/1122764967.db2.gz RFBMFXWORIOGNH-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO CCCCS[C@@H](C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000918148943 1122766967 /nfs/dbraw/zinc/76/69/67/1122766967.db2.gz OUIJRXRYLRATNT-LBPRGKRZSA-N 1 2 329.535 3.845 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NNc1cc[nH+]cc1Cl ZINC000154705205 1122793997 /nfs/dbraw/zinc/79/39/97/1122793997.db2.gz HPWUVTZWOMGWLK-CYBMUJFWSA-N 1 2 345.830 3.697 20 0 EHADLO Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cc[nH+]c(C)c3)ccc12 ZINC000194676880 1122840453 /nfs/dbraw/zinc/84/04/53/1122840453.db2.gz WQJVXOLNSPBZPO-UHFFFAOYSA-N 1 2 343.390 3.685 20 0 EHADLO COc1ccc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c(F)c1 ZINC000924017225 1122898436 /nfs/dbraw/zinc/89/84/36/1122898436.db2.gz RRFPNUNPRICJFM-MRXNPFEDSA-N 1 2 344.390 3.640 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000130613219 1122974094 /nfs/dbraw/zinc/97/40/94/1122974094.db2.gz LXUUMSOOMMQXNT-FOIQADDNSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000130613219 1122974097 /nfs/dbraw/zinc/97/40/97/1122974097.db2.gz LXUUMSOOMMQXNT-FOIQADDNSA-N 1 2 327.424 3.666 20 0 EHADLO CCc1ccc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000130626705 1122975485 /nfs/dbraw/zinc/97/54/85/1122975485.db2.gz ADQFSLFQKPSASV-IEBWSBKVSA-N 1 2 325.456 3.521 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000556455530 1122983058 /nfs/dbraw/zinc/98/30/58/1122983058.db2.gz RDFOBMOKEIZBOC-GJZGRUSLSA-N 1 2 336.439 3.903 20 0 EHADLO Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)c[nH+]1 ZINC000556582859 1123046806 /nfs/dbraw/zinc/04/68/06/1123046806.db2.gz NBVYOMXOBOSVCP-GOSISDBHSA-N 1 2 349.438 3.756 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515372 1123108461 /nfs/dbraw/zinc/10/84/61/1123108461.db2.gz LIQBOKSXXZESJT-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515372 1123108464 /nfs/dbraw/zinc/10/84/64/1123108464.db2.gz LIQBOKSXXZESJT-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)n1 ZINC000499622864 1129102452 /nfs/dbraw/zinc/10/24/52/1129102452.db2.gz CFAXLYZRIWFQNU-CMUBDUJZSA-N 1 2 332.473 3.655 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)n1 ZINC000499622864 1129102453 /nfs/dbraw/zinc/10/24/53/1129102453.db2.gz CFAXLYZRIWFQNU-CMUBDUJZSA-N 1 2 332.473 3.655 20 0 EHADLO FC(F)Oc1cccc2c1CCCN2Cc1cccc2[nH+]ccn21 ZINC000556961948 1123240179 /nfs/dbraw/zinc/24/01/79/1123240179.db2.gz RZLUDCBREMANHF-UHFFFAOYSA-N 1 2 329.350 3.889 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236656 1123290239 /nfs/dbraw/zinc/29/02/39/1123290239.db2.gz KJYWPNGMMCQRDN-GOEBONIOSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236656 1123290243 /nfs/dbraw/zinc/29/02/43/1123290243.db2.gz KJYWPNGMMCQRDN-GOEBONIOSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000132790975 1123300905 /nfs/dbraw/zinc/30/09/05/1123300905.db2.gz MDWFPKYAVQFRNZ-RDBSUJKOSA-N 1 2 329.469 3.550 20 0 EHADLO CCCCC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920239430 1123346101 /nfs/dbraw/zinc/34/61/01/1123346101.db2.gz GMHJREWGXHLGOM-CQSZACIVSA-N 1 2 332.423 3.779 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000133172530 1123355518 /nfs/dbraw/zinc/35/55/18/1123355518.db2.gz SSAUWZKRTSMEFU-MRXNPFEDSA-N 1 2 345.512 3.594 20 0 EHADLO CCC/C=C\C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000920438377 1123374002 /nfs/dbraw/zinc/37/40/02/1123374002.db2.gz QVUVGGZWMQPFHY-PLNGDYQASA-N 1 2 340.389 3.706 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920564945 1123386013 /nfs/dbraw/zinc/38/60/13/1123386013.db2.gz VCNNVOOCWNWHSS-JFIYKMOQSA-N 1 2 342.487 3.636 20 0 EHADLO C[C@@H](NC(=O)NC(C)(C)/C=C\Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000920876020 1123434945 /nfs/dbraw/zinc/43/49/45/1123434945.db2.gz UTWSBULZJDZCBT-MEJMFZKBSA-N 1 2 332.835 3.764 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)cc1 ZINC000920994708 1123446290 /nfs/dbraw/zinc/44/62/90/1123446290.db2.gz WFUUVQZHMCJCDK-AWEZNQCLSA-N 1 2 336.892 3.938 20 0 EHADLO CCC1CCC([N@H+](C)CN2c3cc(C)cc(C)c3C(=O)C2=O)CC1 ZINC000921046241 1123458612 /nfs/dbraw/zinc/45/86/12/1123458612.db2.gz MILQSWHXFQVZNM-UHFFFAOYSA-N 1 2 328.456 3.691 20 0 EHADLO CCC1CCC([N@@H+](C)CN2c3cc(C)cc(C)c3C(=O)C2=O)CC1 ZINC000921046241 1123458613 /nfs/dbraw/zinc/45/86/13/1123458613.db2.gz MILQSWHXFQVZNM-UHFFFAOYSA-N 1 2 328.456 3.691 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000066075883 1129129479 /nfs/dbraw/zinc/12/94/79/1129129479.db2.gz MFIULBZXEVWSPI-KRWDZBQOSA-N 1 2 331.485 3.596 20 0 EHADLO Cc1c(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cnn1C ZINC000135104479 1123583069 /nfs/dbraw/zinc/58/30/69/1123583069.db2.gz PVIKYYKEDJMTNA-FQEVSTJZSA-N 1 2 348.450 3.507 20 0 EHADLO Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc[nH+]1 ZINC000078230780 1123608275 /nfs/dbraw/zinc/60/82/75/1123608275.db2.gz QLUMZKARKUYJBL-GFCCVEGCSA-N 1 2 326.425 3.699 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484400 1123625759 /nfs/dbraw/zinc/62/57/59/1123625759.db2.gz VZXMMVJTFQRLCS-ZWKOTPCHSA-N 1 2 342.487 3.674 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484400 1123625760 /nfs/dbraw/zinc/62/57/60/1123625760.db2.gz VZXMMVJTFQRLCS-ZWKOTPCHSA-N 1 2 342.487 3.674 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000175705721 1123743305 /nfs/dbraw/zinc/74/33/05/1123743305.db2.gz JGFMRCWOVIGUMI-UWVGGRQHSA-N 1 2 329.322 3.942 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000615232762 1123743912 /nfs/dbraw/zinc/74/39/12/1123743912.db2.gz BRJVYUHTBXKSKJ-RTBURBONSA-N 1 2 337.467 3.888 20 0 EHADLO COc1cccc([C@H]([NH2+]Cc2ccnn2C)c2ccccc2Cl)c1 ZINC000080204960 1123745732 /nfs/dbraw/zinc/74/57/32/1123745732.db2.gz LYIWRUYFIVYFBX-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1c(F)cccc1F ZINC000615334656 1123782950 /nfs/dbraw/zinc/78/29/50/1123782950.db2.gz NQLBTMYWYKACSA-NXEZZACHSA-N 1 2 340.320 3.921 20 0 EHADLO COc1ccc(C(C)(C)C)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000615471930 1123809880 /nfs/dbraw/zinc/80/98/80/1123809880.db2.gz KXUTWAUCCYAWHW-UHFFFAOYSA-N 1 2 344.459 3.791 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245431950 1123825072 /nfs/dbraw/zinc/82/50/72/1123825072.db2.gz OKCCHPAHXKVDMS-BFUOFWGJSA-N 1 2 344.842 3.980 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245431950 1123825077 /nfs/dbraw/zinc/82/50/77/1123825077.db2.gz OKCCHPAHXKVDMS-BFUOFWGJSA-N 1 2 344.842 3.980 20 0 EHADLO CCN(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617328 1123897024 /nfs/dbraw/zinc/89/70/24/1123897024.db2.gz VPYUBEHPWFHHCX-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO CCN(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617328 1123897026 /nfs/dbraw/zinc/89/70/26/1123897026.db2.gz VPYUBEHPWFHHCX-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000615962835 1123918858 /nfs/dbraw/zinc/91/88/58/1123918858.db2.gz IQXICSMOXHNQFO-BRWVUGGUSA-N 1 2 343.858 3.931 20 0 EHADLO C[N@H+](Cc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000180057011 1123929624 /nfs/dbraw/zinc/92/96/24/1123929624.db2.gz JHMXBKIMIYTVEZ-SFHVURJKSA-N 1 2 328.843 3.573 20 0 EHADLO C[N@@H+](Cc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000180057011 1123929626 /nfs/dbraw/zinc/92/96/26/1123929626.db2.gz JHMXBKIMIYTVEZ-SFHVURJKSA-N 1 2 328.843 3.573 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)n2c1 ZINC000245709780 1123934337 /nfs/dbraw/zinc/93/43/37/1123934337.db2.gz FTIZNPBMNQBUFI-HNAYVOBHSA-N 1 2 339.414 3.744 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328497 1123983903 /nfs/dbraw/zinc/98/39/03/1123983903.db2.gz MGQHECXUIASBKD-MKXGPGLRSA-N 1 2 337.467 3.708 20 0 EHADLO C[C@@H]1CSc2ccccc2N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000616827679 1124041905 /nfs/dbraw/zinc/04/19/05/1124041905.db2.gz KZMJEDVLLNVACY-AWEZNQCLSA-N 1 2 341.480 3.537 20 0 EHADLO CC(C)[C@H](CNc1[nH+]cnc2[nH]c3ccccc3c21)c1ccnn1C ZINC000649341418 1124082836 /nfs/dbraw/zinc/08/28/36/1124082836.db2.gz QGCFEYVKANFQCU-AWEZNQCLSA-N 1 2 334.427 3.696 20 0 EHADLO CO[C@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C12CCC2 ZINC000453178693 1129172823 /nfs/dbraw/zinc/17/28/23/1129172823.db2.gz IBSCHSKCFIEDBD-OALUTQOASA-N 1 2 335.451 3.971 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(OCc2ccccc2)c1 ZINC000357139300 1129175395 /nfs/dbraw/zinc/17/53/95/1129175395.db2.gz IZMTXBIJWFKXMK-MRXNPFEDSA-N 1 2 349.434 3.799 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(OCc2ccccc2)c1 ZINC000357139300 1129175400 /nfs/dbraw/zinc/17/54/00/1129175400.db2.gz IZMTXBIJWFKXMK-MRXNPFEDSA-N 1 2 349.434 3.799 20 0 EHADLO C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000734649621 1131262381 /nfs/dbraw/zinc/26/23/81/1131262381.db2.gz JCZQLURVKGBHGV-CVEARBPZSA-N 1 2 347.503 3.884 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181070285 1124502337 /nfs/dbraw/zinc/50/23/37/1124502337.db2.gz GBHNKRNJORPPFY-KRWDZBQOSA-N 1 2 333.435 3.676 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000246971817 1124573251 /nfs/dbraw/zinc/57/32/51/1124573251.db2.gz VLRWIXHGIREYSN-WMLDXEAASA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000246971817 1124573256 /nfs/dbraw/zinc/57/32/56/1124573256.db2.gz VLRWIXHGIREYSN-WMLDXEAASA-N 1 2 334.485 3.624 20 0 EHADLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000140137997 1124581007 /nfs/dbraw/zinc/58/10/07/1124581007.db2.gz HIWMSJPEVNDXQX-GFCCVEGCSA-N 1 2 347.256 3.741 20 0 EHADLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000140137997 1124581011 /nfs/dbraw/zinc/58/10/11/1124581011.db2.gz HIWMSJPEVNDXQX-GFCCVEGCSA-N 1 2 347.256 3.741 20 0 EHADLO C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000617515543 1124620952 /nfs/dbraw/zinc/62/09/52/1124620952.db2.gz GGHXFUFSMRCCST-SFHVURJKSA-N 1 2 331.847 3.620 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458672 1124665905 /nfs/dbraw/zinc/66/59/05/1124665905.db2.gz QKLPPTZCIAMROD-ZNOIYHFQSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458672 1124665908 /nfs/dbraw/zinc/66/59/08/1124665908.db2.gz QKLPPTZCIAMROD-ZNOIYHFQSA-N 1 2 344.405 3.630 20 0 EHADLO Cc1cccc(C)c1OCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069392976 1124742862 /nfs/dbraw/zinc/74/28/62/1124742862.db2.gz YGSNQTPULPBQSE-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249196346 1124746460 /nfs/dbraw/zinc/74/64/60/1124746460.db2.gz QYWUNZVHYWXBQJ-FHLIZLRMSA-N 1 2 331.435 3.823 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000249318141 1124750261 /nfs/dbraw/zinc/75/02/61/1124750261.db2.gz PAIRJDMNRKCEIR-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000734834815 1131284257 /nfs/dbraw/zinc/28/42/57/1131284257.db2.gz JMTDVQUIKXKVEH-CQSZACIVSA-N 1 2 336.439 3.962 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000734834814 1131284414 /nfs/dbraw/zinc/28/44/14/1131284414.db2.gz JMTDVQUIKXKVEH-AWEZNQCLSA-N 1 2 336.439 3.962 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090008154 1124884756 /nfs/dbraw/zinc/88/47/56/1124884756.db2.gz BXEJSSRHADLQJT-MRXNPFEDSA-N 1 2 347.256 3.608 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090008154 1124884762 /nfs/dbraw/zinc/88/47/62/1124884762.db2.gz BXEJSSRHADLQJT-MRXNPFEDSA-N 1 2 347.256 3.608 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C ZINC000251605899 1124927908 /nfs/dbraw/zinc/92/79/08/1124927908.db2.gz FYLSZLYPHNYJDD-COPLHBTASA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C ZINC000251605899 1124927912 /nfs/dbraw/zinc/92/79/12/1124927912.db2.gz FYLSZLYPHNYJDD-COPLHBTASA-N 1 2 345.270 3.677 20 0 EHADLO CCCCc1nc(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)no1 ZINC000090619905 1124928779 /nfs/dbraw/zinc/92/87/79/1124928779.db2.gz VSKITRRFZSSNDD-HNNXBMFYSA-N 1 2 331.460 3.731 20 0 EHADLO CCCCc1nc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)no1 ZINC000090619905 1124928783 /nfs/dbraw/zinc/92/87/83/1124928783.db2.gz VSKITRRFZSSNDD-HNNXBMFYSA-N 1 2 331.460 3.731 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC(C)(C)CC(C)(C)C1 ZINC000618071224 1124956885 /nfs/dbraw/zinc/95/68/85/1124956885.db2.gz QNOIMYULDJRMEB-UHFFFAOYSA-N 1 2 340.471 3.944 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1nc2ccccc2s1)c1ccccc1 ZINC000181976981 1125102036 /nfs/dbraw/zinc/10/20/36/1125102036.db2.gz MNTOSTYMTGGUFE-QGZVFWFLSA-N 1 2 326.421 3.642 20 0 EHADLO c1cc2c(s1)C1(CC[NH+](Cc3nnc(C4CC4)s3)CC1)OCC2 ZINC000450699822 1125191347 /nfs/dbraw/zinc/19/13/47/1125191347.db2.gz RZJIPCDIZFMACD-UHFFFAOYSA-N 1 2 347.509 3.541 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000076016791 1125237911 /nfs/dbraw/zinc/23/79/11/1125237911.db2.gz IZHSTVXUPVUPAI-CQSZACIVSA-N 1 2 337.464 3.629 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000076016791 1125237917 /nfs/dbraw/zinc/23/79/17/1125237917.db2.gz IZHSTVXUPVUPAI-CQSZACIVSA-N 1 2 337.464 3.629 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000619215940 1125319223 /nfs/dbraw/zinc/31/92/23/1125319223.db2.gz VFGXWRDQWMQJKB-VAMGGRTRSA-N 1 2 345.446 3.994 20 0 EHADLO Cl/C=C(\Cl)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000763544432 1125328458 /nfs/dbraw/zinc/32/84/58/1125328458.db2.gz VDMMMNTWKUPKAL-YHYXMXQVSA-N 1 2 339.064 3.602 20 0 EHADLO CCN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccnc1 ZINC000254971470 1125356983 /nfs/dbraw/zinc/35/69/83/1125356983.db2.gz HRNVSFKRLLFIJR-NLZINVLXSA-N 1 2 346.434 3.890 20 0 EHADLO CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1ccncc1 ZINC000070697989 1125361880 /nfs/dbraw/zinc/36/18/80/1125361880.db2.gz AGTYLPBFEGVDGB-UHFFFAOYSA-N 1 2 331.489 3.720 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182794362 1125371722 /nfs/dbraw/zinc/37/17/22/1125371722.db2.gz ALKOSZXJWKOCMH-MRXNPFEDSA-N 1 2 330.501 3.806 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182794362 1125371725 /nfs/dbraw/zinc/37/17/25/1125371725.db2.gz ALKOSZXJWKOCMH-MRXNPFEDSA-N 1 2 330.501 3.806 20 0 EHADLO CCCc1nc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cs1 ZINC000619888880 1125420571 /nfs/dbraw/zinc/42/05/71/1125420571.db2.gz ZYOIBHWRYBIMTL-UHFFFAOYSA-N 1 2 349.544 3.757 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000619961919 1125438197 /nfs/dbraw/zinc/43/81/97/1125438197.db2.gz IGCMLYPTHKLKEJ-MXWWQKGMSA-N 1 2 329.419 3.578 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953195 1125442831 /nfs/dbraw/zinc/44/28/31/1125442831.db2.gz OTHVBFDIQARJNJ-VBQJREDUSA-N 1 2 338.879 3.721 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953195 1125442833 /nfs/dbraw/zinc/44/28/33/1125442833.db2.gz OTHVBFDIQARJNJ-VBQJREDUSA-N 1 2 338.879 3.721 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000115211846 1129247109 /nfs/dbraw/zinc/24/71/09/1129247109.db2.gz HDKCDDBNSTYVGN-KRWDZBQOSA-N 1 2 349.409 3.748 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1CCC=CCC1)c1ccccc1 ZINC000888426486 1129253430 /nfs/dbraw/zinc/25/34/30/1129253430.db2.gz XJUFXCUHXKOGJY-GOSISDBHSA-N 1 2 338.455 3.502 20 0 EHADLO CC[C@@H](C)c1ncc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cn1 ZINC001626071019 1129304964 /nfs/dbraw/zinc/30/49/64/1129304964.db2.gz ZBNIBYKVRIZYLS-CQSZACIVSA-N 1 2 347.422 3.803 20 0 EHADLO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466217638 1129310026 /nfs/dbraw/zinc/31/00/26/1129310026.db2.gz LNUVGMZIMXVENP-SJLPKXTDSA-N 1 2 340.471 3.983 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)n1 ZINC000922197675 1129332454 /nfs/dbraw/zinc/33/24/54/1129332454.db2.gz WVHZKIKKXPCNKV-UHFFFAOYSA-N 1 2 340.402 3.828 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000081318191 1129413708 /nfs/dbraw/zinc/41/37/08/1129413708.db2.gz VRAGQGUISYWNLU-GOSISDBHSA-N 1 2 325.456 3.791 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2cc(F)ccc2o1 ZINC000117614300 1129455376 /nfs/dbraw/zinc/45/53/76/1129455376.db2.gz PINOLTINLXJKIQ-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO CCc1cc(N2CCC[C@H]2Cn2c(C)nc3ccccc32)nc(C)[nH+]1 ZINC000359727219 1129482945 /nfs/dbraw/zinc/48/29/45/1129482945.db2.gz BBLPABPFYFVFSJ-KRWDZBQOSA-N 1 2 335.455 3.675 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2scnc2Cl)CC1 ZINC001137826027 1129496225 /nfs/dbraw/zinc/49/62/25/1129496225.db2.gz NQDWUENRQFDQJJ-GFCCVEGCSA-N 1 2 339.867 3.814 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000499813063 1129518343 /nfs/dbraw/zinc/51/83/43/1129518343.db2.gz OJGYJIRHOJHGRG-ZHALLVOQSA-N 1 2 338.536 3.599 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)o1)NCCCNc1cccc[nH+]1 ZINC000118724842 1129520369 /nfs/dbraw/zinc/52/03/69/1129520369.db2.gz CGERTEYRVFBQHK-UHFFFAOYSA-N 1 2 349.434 3.893 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2cnc(C3CCCC3)s2)n1 ZINC000922487607 1129549868 /nfs/dbraw/zinc/54/98/68/1129549868.db2.gz KUPPZVHARPHUHU-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186539316 1129565470 /nfs/dbraw/zinc/56/54/70/1129565470.db2.gz RCQJNYOIPVJHQA-TZIWHRDSSA-N 1 2 343.515 3.520 20 0 EHADLO C[C@@H](O)c1ncc(CNc2[nH+]c3ccccc3n2CC2CC2)s1 ZINC000922560605 1129570341 /nfs/dbraw/zinc/57/03/41/1129570341.db2.gz RGJYOALXULZNPQ-LLVKDONJSA-N 1 2 328.441 3.568 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922577073 1129578901 /nfs/dbraw/zinc/57/89/01/1129578901.db2.gz KGESZERWUGTCOU-IBGZPJMESA-N 1 2 333.439 3.520 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OCC ZINC000922581439 1129581555 /nfs/dbraw/zinc/58/15/55/1129581555.db2.gz VOQNEQWVHZYRDY-GOSISDBHSA-N 1 2 327.428 3.515 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448345525 1129584060 /nfs/dbraw/zinc/58/40/60/1129584060.db2.gz UCCSSAVGYVQXIQ-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448345525 1129584063 /nfs/dbraw/zinc/58/40/63/1129584063.db2.gz UCCSSAVGYVQXIQ-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1nc2ccccc2cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922695100 1129632638 /nfs/dbraw/zinc/63/26/38/1129632638.db2.gz DYUWUJWXRHXORD-UHFFFAOYSA-N 1 2 339.464 3.869 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000509022410 1129660623 /nfs/dbraw/zinc/66/06/23/1129660623.db2.gz PSJJHIYPTHTJBW-QZTJIDSGSA-N 1 2 333.472 3.527 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000509022410 1129660627 /nfs/dbraw/zinc/66/06/27/1129660627.db2.gz PSJJHIYPTHTJBW-QZTJIDSGSA-N 1 2 333.472 3.527 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000509022907 1129662662 /nfs/dbraw/zinc/66/26/62/1129662662.db2.gz SNAHOZJXNWYUBN-QIAWRQBBSA-N 1 2 346.452 3.981 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000509022907 1129662665 /nfs/dbraw/zinc/66/26/65/1129662665.db2.gz SNAHOZJXNWYUBN-QIAWRQBBSA-N 1 2 346.452 3.981 20 0 EHADLO COc1cc(C[NH2+][C@@H]2CCCC2(F)F)ccc1OCc1ccncc1 ZINC000673617480 1129664170 /nfs/dbraw/zinc/66/41/70/1129664170.db2.gz FVSWHQKKCXGKDR-GOSISDBHSA-N 1 2 348.393 3.947 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H]1C ZINC000347767074 1129705228 /nfs/dbraw/zinc/70/52/28/1129705228.db2.gz FPBWCKMROZREFO-NUJGCVRESA-N 1 2 344.503 3.696 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(CC)cn1)CC2 ZINC000338891895 1129715764 /nfs/dbraw/zinc/71/57/64/1129715764.db2.gz IWUUZSYDZKQWBS-UHFFFAOYSA-N 1 2 340.467 4.000 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(CC)cn1)CC2 ZINC000338891895 1129715768 /nfs/dbraw/zinc/71/57/68/1129715768.db2.gz IWUUZSYDZKQWBS-UHFFFAOYSA-N 1 2 340.467 4.000 20 0 EHADLO O[C@@H](C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1)CC1(O)CCC1 ZINC000625113532 1129736112 /nfs/dbraw/zinc/73/61/12/1129736112.db2.gz GKVROSPYKUSZNU-CYBMUJFWSA-N 1 2 344.282 3.624 20 0 EHADLO O[C@@H](C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1)CC1(O)CCC1 ZINC000625113532 1129736116 /nfs/dbraw/zinc/73/61/16/1129736116.db2.gz GKVROSPYKUSZNU-CYBMUJFWSA-N 1 2 344.282 3.624 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625119519 1129738623 /nfs/dbraw/zinc/73/86/23/1129738623.db2.gz YDSAULMRYITQPA-INIZCTEOSA-N 1 2 327.428 3.553 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625119519 1129738625 /nfs/dbraw/zinc/73/86/25/1129738625.db2.gz YDSAULMRYITQPA-INIZCTEOSA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673648955 1129753550 /nfs/dbraw/zinc/75/35/50/1129753550.db2.gz BOGGCCNJFXCJRL-UHFFFAOYSA-N 1 2 342.405 3.786 20 0 EHADLO Cc1cc(C[NH2+]Cc2noc3c2CCCC3)sc1Br ZINC000673696593 1129797308 /nfs/dbraw/zinc/79/73/08/1129797308.db2.gz CAPBKALPBMYFGH-UHFFFAOYSA-N 1 2 341.274 3.976 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429127596 1129837641 /nfs/dbraw/zinc/83/76/41/1129837641.db2.gz MHJKQSVTGSGFBR-GJZGRUSLSA-N 1 2 342.414 3.744 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429127596 1129837645 /nfs/dbraw/zinc/83/76/45/1129837645.db2.gz MHJKQSVTGSGFBR-GJZGRUSLSA-N 1 2 342.414 3.744 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000766029599 1129843893 /nfs/dbraw/zinc/84/38/93/1129843893.db2.gz CHLTVEJDGFXVFL-OAHLLOKOSA-N 1 2 339.505 3.611 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000766029599 1129843896 /nfs/dbraw/zinc/84/38/96/1129843896.db2.gz CHLTVEJDGFXVFL-OAHLLOKOSA-N 1 2 339.505 3.611 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776006 1129845260 /nfs/dbraw/zinc/84/52/60/1129845260.db2.gz JLTMWKFNVUPOGC-UHFFFAOYSA-N 1 2 330.476 3.653 20 0 EHADLO C[C@H]1CC/C(=C\C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282452327 1129871862 /nfs/dbraw/zinc/87/18/62/1129871862.db2.gz VNIFBZIFEAMCHP-QCADSSPNSA-N 1 2 327.472 3.672 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000429163220 1129904514 /nfs/dbraw/zinc/90/45/14/1129904514.db2.gz NRUKZHDWZVESBJ-SFHVURJKSA-N 1 2 342.439 3.893 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000429163220 1129904515 /nfs/dbraw/zinc/90/45/15/1129904515.db2.gz NRUKZHDWZVESBJ-SFHVURJKSA-N 1 2 342.439 3.893 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000347863993 1129943151 /nfs/dbraw/zinc/94/31/51/1129943151.db2.gz XQNTYGMDOSVARD-WQLSENKSSA-N 1 2 336.361 3.524 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2nc(C)nc2C1 ZINC000347863993 1129943153 /nfs/dbraw/zinc/94/31/53/1129943153.db2.gz XQNTYGMDOSVARD-WQLSENKSSA-N 1 2 336.361 3.524 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644113 1129966322 /nfs/dbraw/zinc/96/63/22/1129966322.db2.gz AFJPLWFIIKFVEK-FRRDWIJNSA-N 1 2 342.455 3.959 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644113 1129966323 /nfs/dbraw/zinc/96/63/23/1129966323.db2.gz AFJPLWFIIKFVEK-FRRDWIJNSA-N 1 2 342.455 3.959 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000059389998 1129985332 /nfs/dbraw/zinc/98/53/32/1129985332.db2.gz HANZQJFJTOCQOC-UHFFFAOYSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000059389998 1129985334 /nfs/dbraw/zinc/98/53/34/1129985334.db2.gz HANZQJFJTOCQOC-UHFFFAOYSA-N 1 2 344.842 3.952 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(Oc4ccccc4)cn3)n2c1 ZINC000466628857 1129989503 /nfs/dbraw/zinc/98/95/03/1129989503.db2.gz VLEFFNQZNDGQCJ-UHFFFAOYSA-N 1 2 330.391 3.864 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000658000183 1130006902 /nfs/dbraw/zinc/00/69/02/1130006902.db2.gz VMPSZFRCMRUOKO-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO CN(C)c1ncc(C[NH+]2CC(Cc3c(F)cccc3Cl)C2)s1 ZINC001117813931 1130047512 /nfs/dbraw/zinc/04/75/12/1130047512.db2.gz GNKQDLIFKIALML-UHFFFAOYSA-N 1 2 339.867 3.676 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]1 ZINC000674336967 1130068768 /nfs/dbraw/zinc/06/87/68/1130068768.db2.gz ZJNQBZISSJJYSK-ZDUSSCGKSA-N 1 2 341.846 3.858 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000766073605 1130199304 /nfs/dbraw/zinc/19/93/04/1130199304.db2.gz CBJPKGVFFYLLSP-PXAZEXFGSA-N 1 2 343.427 3.792 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000766073605 1130199307 /nfs/dbraw/zinc/19/93/07/1130199307.db2.gz CBJPKGVFFYLLSP-PXAZEXFGSA-N 1 2 343.427 3.792 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000674874137 1130209767 /nfs/dbraw/zinc/20/97/67/1130209767.db2.gz CVPIJCJKLZUOCE-KRWDZBQOSA-N 1 2 332.492 3.836 20 0 EHADLO Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000674909750 1130222560 /nfs/dbraw/zinc/22/25/60/1130222560.db2.gz TWYAHIJDLPYSFP-LBPRGKRZSA-N 1 2 342.374 3.607 20 0 EHADLO Fc1ccc2oc(C[N@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000674909750 1130222566 /nfs/dbraw/zinc/22/25/66/1130222566.db2.gz TWYAHIJDLPYSFP-LBPRGKRZSA-N 1 2 342.374 3.607 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000675255335 1130298838 /nfs/dbraw/zinc/29/88/38/1130298838.db2.gz LNTMLEVXITYKAD-SWLSCSKDSA-N 1 2 343.427 3.960 20 0 EHADLO CC(C)O[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1(C)C ZINC000766114948 1130330329 /nfs/dbraw/zinc/33/03/29/1130330329.db2.gz ZDDBMPNGRPDMPK-KBPBESRZSA-N 1 2 331.464 3.585 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766117747 1130331722 /nfs/dbraw/zinc/33/17/22/1130331722.db2.gz GUAPYVICIVGCJM-NEPJUHHUSA-N 1 2 348.434 3.657 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766117747 1130331727 /nfs/dbraw/zinc/33/17/27/1130331727.db2.gz GUAPYVICIVGCJM-NEPJUHHUSA-N 1 2 348.434 3.657 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000675622853 1130432906 /nfs/dbraw/zinc/43/29/06/1130432906.db2.gz XIBVUMFHFGHOJA-CQSZACIVSA-N 1 2 335.860 3.886 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000675622853 1130432908 /nfs/dbraw/zinc/43/29/08/1130432908.db2.gz XIBVUMFHFGHOJA-CQSZACIVSA-N 1 2 335.860 3.886 20 0 EHADLO CC(C)[C@H]1c2ccccc2CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000675710536 1130456147 /nfs/dbraw/zinc/45/61/47/1130456147.db2.gz MAZWRAHTCMWWFV-IBGZPJMESA-N 1 2 340.471 3.628 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000675906201 1130505331 /nfs/dbraw/zinc/50/53/31/1130505331.db2.gz PEFUHIQLJHUKKX-JXXFODFXSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000675906201 1130505336 /nfs/dbraw/zinc/50/53/36/1130505336.db2.gz PEFUHIQLJHUKKX-JXXFODFXSA-N 1 2 340.467 3.516 20 0 EHADLO CC(C)[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)Cc1ccccc1 ZINC000675957853 1130509519 /nfs/dbraw/zinc/50/95/19/1130509519.db2.gz QVRIXXVYAMYVMH-VQTJNVASSA-N 1 2 334.467 3.999 20 0 EHADLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000676066222 1130525250 /nfs/dbraw/zinc/52/52/50/1130525250.db2.gz UDVRAUUDQIAXSR-GFCCVEGCSA-N 1 2 340.254 3.842 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000705989775 1130549275 /nfs/dbraw/zinc/54/92/75/1130549275.db2.gz NTTVCLZORSNYIP-AEGPPILISA-N 1 2 333.457 3.633 20 0 EHADLO ClC1(Cl)C[C@H]1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001118053938 1130553237 /nfs/dbraw/zinc/55/32/37/1130553237.db2.gz PADTZVDOCITDMW-HNNXBMFYSA-N 1 2 346.323 3.946 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000676274881 1130555073 /nfs/dbraw/zinc/55/50/73/1130555073.db2.gz JRHZMCYCVFSBSQ-ZDUSSCGKSA-N 1 2 346.406 3.554 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000727824857 1130597313 /nfs/dbraw/zinc/59/73/13/1130597313.db2.gz UOQPLDLXEKPINE-CQSZACIVSA-N 1 2 329.473 3.643 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000727824857 1130597317 /nfs/dbraw/zinc/59/73/17/1130597317.db2.gz UOQPLDLXEKPINE-CQSZACIVSA-N 1 2 329.473 3.643 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccccc2)C1 ZINC000728039457 1130620117 /nfs/dbraw/zinc/62/01/17/1130620117.db2.gz KURDPTJHXVVKBK-HNNXBMFYSA-N 1 2 330.497 3.904 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccccc2)C1 ZINC000728039457 1130620119 /nfs/dbraw/zinc/62/01/19/1130620119.db2.gz KURDPTJHXVVKBK-HNNXBMFYSA-N 1 2 330.497 3.904 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCCc2ccccc2)C1 ZINC000728043126 1130620780 /nfs/dbraw/zinc/62/07/80/1130620780.db2.gz DXGSAVLPJRBPRO-MRXNPFEDSA-N 1 2 344.524 3.947 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCCc2ccccc2)C1 ZINC000728043126 1130620786 /nfs/dbraw/zinc/62/07/86/1130620786.db2.gz DXGSAVLPJRBPRO-MRXNPFEDSA-N 1 2 344.524 3.947 20 0 EHADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1c[nH+]cn1C ZINC000291183689 1130636935 /nfs/dbraw/zinc/63/69/35/1130636935.db2.gz CDZJCXRPGDTIJC-VIFPVBQESA-N 1 2 344.267 3.524 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000291190117 1130637248 /nfs/dbraw/zinc/63/72/48/1130637248.db2.gz CUYQVXQCPMFEAQ-UHFFFAOYSA-N 1 2 345.446 3.630 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000730024427 1130664414 /nfs/dbraw/zinc/66/44/14/1130664414.db2.gz IHNFMXQITHJBFO-AWEZNQCLSA-N 1 2 342.468 3.938 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C(C)=O)cs2)n1 ZINC000730213129 1130687850 /nfs/dbraw/zinc/68/78/50/1130687850.db2.gz HDSHOTKFBBWBBQ-UHFFFAOYSA-N 1 2 337.470 3.501 20 0 EHADLO O=C(C=C1CCCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730505568 1130715289 /nfs/dbraw/zinc/71/52/89/1130715289.db2.gz DLMFLHXUFBVTQE-UHFFFAOYSA-N 1 2 327.472 3.969 20 0 EHADLO CCCCSCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730505911 1130715630 /nfs/dbraw/zinc/71/56/30/1130715630.db2.gz FLZKCWUCUWLLJC-UHFFFAOYSA-N 1 2 335.517 3.612 20 0 EHADLO CCCOc1ccc(OCCO[NH+]=C(N)Cc2cccs2)cc1 ZINC000731028985 1130759741 /nfs/dbraw/zinc/75/97/41/1130759741.db2.gz LUXVVJIQNXTERL-UHFFFAOYSA-N 1 2 334.441 3.657 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000731844063 1130849550 /nfs/dbraw/zinc/84/95/50/1130849550.db2.gz IMNKZIGNUYUHAO-UHFFFAOYSA-N 1 2 345.439 3.608 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000731844063 1130849556 /nfs/dbraw/zinc/84/95/56/1130849556.db2.gz IMNKZIGNUYUHAO-UHFFFAOYSA-N 1 2 345.439 3.608 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc2C1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732537311 1130932868 /nfs/dbraw/zinc/93/28/68/1130932868.db2.gz KIHXVUJIJAPDCO-GOSISDBHSA-N 1 2 345.446 3.684 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cn1nc2ccccn2c1=S ZINC000733299434 1131018440 /nfs/dbraw/zinc/01/84/40/1131018440.db2.gz DKXZHJPZSDBWMT-UHFFFAOYSA-N 1 2 344.459 3.917 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cn1nc2ccccn2c1=S ZINC000733299434 1131018443 /nfs/dbraw/zinc/01/84/43/1131018443.db2.gz DKXZHJPZSDBWMT-UHFFFAOYSA-N 1 2 344.459 3.917 20 0 EHADLO C[C@H](CCC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000347943273 1131097274 /nfs/dbraw/zinc/09/72/74/1131097274.db2.gz OONMDZKIXZWUOH-SJORKVTESA-N 1 2 331.504 3.749 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H]2CSCCc3ccccc32)cs1 ZINC000348045828 1131136765 /nfs/dbraw/zinc/13/67/65/1131136765.db2.gz RNCJIHXCVMWDLM-WBMJQRKESA-N 1 2 334.510 3.971 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCc3ccc(Br)cc32)n1 ZINC000348070210 1131139128 /nfs/dbraw/zinc/13/91/28/1131139128.db2.gz CZZANWHDDZMDMD-LKFCYVNXSA-N 1 2 336.233 3.869 20 0 EHADLO CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccncc1 ZINC000348080031 1131142999 /nfs/dbraw/zinc/14/29/99/1131142999.db2.gz SRQPTFQAVDEMGG-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccncc1 ZINC000348080031 1131143005 /nfs/dbraw/zinc/14/30/05/1131143005.db2.gz SRQPTFQAVDEMGG-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000176971333 1131157410 /nfs/dbraw/zinc/15/74/10/1131157410.db2.gz NFPFKHMVXYVBIF-SFHVURJKSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000176971333 1131157412 /nfs/dbraw/zinc/15/74/12/1131157412.db2.gz NFPFKHMVXYVBIF-SFHVURJKSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000734143800 1131203252 /nfs/dbraw/zinc/20/32/52/1131203252.db2.gz HAGWIUFCEFYMNL-HNNXBMFYSA-N 1 2 348.541 3.713 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000734143800 1131203255 /nfs/dbraw/zinc/20/32/55/1131203255.db2.gz HAGWIUFCEFYMNL-HNNXBMFYSA-N 1 2 348.541 3.713 20 0 EHADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2cc(C)cc(C)c2)oc1=S ZINC000738075185 1131460170 /nfs/dbraw/zinc/46/01/70/1131460170.db2.gz GCNGDBFYIQFQBG-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2cc(C)cc(C)c2)oc1=S ZINC000738075185 1131460173 /nfs/dbraw/zinc/46/01/73/1131460173.db2.gz GCNGDBFYIQFQBG-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738391089 1131468740 /nfs/dbraw/zinc/46/87/40/1131468740.db2.gz DRWHMBAXMSYHJW-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)Cn1cc[nH+]c1 ZINC000740727795 1131538697 /nfs/dbraw/zinc/53/86/97/1131538697.db2.gz ZSGRRZUIBJYNMC-NSHDSACASA-N 1 2 343.374 3.561 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861162 1131554079 /nfs/dbraw/zinc/55/40/79/1131554079.db2.gz LIGNMIDBUGHJNO-ZWKOTPCHSA-N 1 2 338.451 3.893 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861162 1131554083 /nfs/dbraw/zinc/55/40/83/1131554083.db2.gz LIGNMIDBUGHJNO-ZWKOTPCHSA-N 1 2 338.451 3.893 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741144941 1131578115 /nfs/dbraw/zinc/57/81/15/1131578115.db2.gz HGRFCBKUMGJQRD-HDMKZQKVSA-N 1 2 346.471 3.555 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741144941 1131578118 /nfs/dbraw/zinc/57/81/18/1131578118.db2.gz HGRFCBKUMGJQRD-HDMKZQKVSA-N 1 2 346.471 3.555 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146573 1131582863 /nfs/dbraw/zinc/58/28/63/1131582863.db2.gz MKGFYKFQIIZRIE-INIZCTEOSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146573 1131582868 /nfs/dbraw/zinc/58/28/68/1131582868.db2.gz MKGFYKFQIIZRIE-INIZCTEOSA-N 1 2 334.803 3.523 20 0 EHADLO Cn1cc(-c2cccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)c2)cn1 ZINC000741666775 1131631600 /nfs/dbraw/zinc/63/16/00/1131631600.db2.gz NKEFPRVYKZXJRC-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(Br)cn2)CC[C@@H]1c1ccccc1 ZINC000742164428 1131691847 /nfs/dbraw/zinc/69/18/47/1131691847.db2.gz IDRABUPDUZDNPC-BBRMVZONSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(Br)cn2)CC[C@@H]1c1ccccc1 ZINC000742164428 1131691852 /nfs/dbraw/zinc/69/18/52/1131691852.db2.gz IDRABUPDUZDNPC-BBRMVZONSA-N 1 2 334.261 3.729 20 0 EHADLO O=C1c2ccccc2C(=O)N1C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000742153916 1131693906 /nfs/dbraw/zinc/69/39/06/1131693906.db2.gz AGMLWQIJISNZHD-UHFFFAOYSA-N 1 2 338.407 3.668 20 0 EHADLO O=C1c2ccccc2C(=O)N1C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000742153916 1131693908 /nfs/dbraw/zinc/69/39/08/1131693908.db2.gz AGMLWQIJISNZHD-UHFFFAOYSA-N 1 2 338.407 3.668 20 0 EHADLO COCCn1cnn(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742156203 1131695258 /nfs/dbraw/zinc/69/52/58/1131695258.db2.gz GAQSPNQGCATQNS-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO COCCn1cnn(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742156203 1131695261 /nfs/dbraw/zinc/69/52/61/1131695261.db2.gz GAQSPNQGCATQNS-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cs1 ZINC000742369007 1131710901 /nfs/dbraw/zinc/71/09/01/1131710901.db2.gz UWJZAYXZRPCPMR-CYBMUJFWSA-N 1 2 342.468 3.634 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@H](C)CCOCC(C)C)c1nnc(C)o1 ZINC001172472873 1131734404 /nfs/dbraw/zinc/73/44/04/1131734404.db2.gz QYFMMROQNQKVAR-RDTXWAMCSA-N 1 2 347.459 3.517 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCn2ccnc2C1 ZINC001172571681 1131777726 /nfs/dbraw/zinc/77/77/26/1131777726.db2.gz QETSPQNRXZPLOQ-NSHDSACASA-N 1 2 325.790 3.652 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCn2ccnc2C1 ZINC001172571681 1131777731 /nfs/dbraw/zinc/77/77/31/1131777731.db2.gz QETSPQNRXZPLOQ-NSHDSACASA-N 1 2 325.790 3.652 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3-c3nccs3)cc2)C1 ZINC001212672527 1131790227 /nfs/dbraw/zinc/79/02/27/1131790227.db2.gz QANFPPQUFZYCGW-UHFFFAOYSA-N 1 2 337.448 3.730 20 0 EHADLO CC(F)(F)c1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001212673393 1131795088 /nfs/dbraw/zinc/79/50/88/1131795088.db2.gz KKRVFMYAIJSYEJ-UHFFFAOYSA-N 1 2 333.382 3.898 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 ZINC000742859332 1131808078 /nfs/dbraw/zinc/80/80/78/1131808078.db2.gz XEPXNMYRJPDMAN-SYGIOELKSA-N 1 2 337.467 3.957 20 0 EHADLO FC1(F)CN([C@H]2Cc3ccc(Cl)cc3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001172721536 1131823113 /nfs/dbraw/zinc/82/31/13/1131823113.db2.gz COLFIIYDHIHMIY-IRXDYDNUSA-N 1 2 340.845 3.613 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000180712706 1131823359 /nfs/dbraw/zinc/82/33/59/1131823359.db2.gz HJJMLYCTAJEBOK-WDEREUQCSA-N 1 2 338.249 3.599 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172712853 1131835246 /nfs/dbraw/zinc/83/52/46/1131835246.db2.gz OEFOWTOUNJXTLX-OALUTQOASA-N 1 2 343.854 3.571 20 0 EHADLO CCC1(C)CC[NH+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)CC1 ZINC000743360338 1131901307 /nfs/dbraw/zinc/90/13/07/1131901307.db2.gz MWPHZIPGLLZWCM-UHFFFAOYSA-N 1 2 344.455 3.903 20 0 EHADLO S=c1[nH]ccn1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000743347924 1131905361 /nfs/dbraw/zinc/90/53/61/1131905361.db2.gz GTLNOKILWFVRJS-AWEZNQCLSA-N 1 2 333.507 3.900 20 0 EHADLO S=c1[nH]ccn1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000743347924 1131905365 /nfs/dbraw/zinc/90/53/65/1131905365.db2.gz GTLNOKILWFVRJS-AWEZNQCLSA-N 1 2 333.507 3.900 20 0 EHADLO C[C@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@H]1c1ccccc1 ZINC000743392311 1131910037 /nfs/dbraw/zinc/91/00/37/1131910037.db2.gz HAROTLKLUCAFMK-YVEFUNNKSA-N 1 2 328.799 3.898 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@H]1c1ccccc1 ZINC000743392311 1131910042 /nfs/dbraw/zinc/91/00/42/1131910042.db2.gz HAROTLKLUCAFMK-YVEFUNNKSA-N 1 2 328.799 3.898 20 0 EHADLO C[C@H]1C[N@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743392579 1131910601 /nfs/dbraw/zinc/91/06/01/1131910601.db2.gz QIKYZLAYIMBSJR-NOXOBXMSSA-N 1 2 340.467 3.592 20 0 EHADLO C[C@H]1C[N@@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743392579 1131910610 /nfs/dbraw/zinc/91/06/10/1131910610.db2.gz QIKYZLAYIMBSJR-NOXOBXMSSA-N 1 2 340.467 3.592 20 0 EHADLO COC(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001212696726 1131918593 /nfs/dbraw/zinc/91/85/93/1131918593.db2.gz HVRUOBJMIITLGY-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCCCC(F)(F)C2)CC1 ZINC001173000337 1131933187 /nfs/dbraw/zinc/93/31/87/1131933187.db2.gz ATGAXCJTKVHCOP-UHFFFAOYSA-N 1 2 340.389 3.552 20 0 EHADLO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCCCC(F)(F)C2)CC1 ZINC001173000337 1131933192 /nfs/dbraw/zinc/93/31/92/1131933192.db2.gz ATGAXCJTKVHCOP-UHFFFAOYSA-N 1 2 340.389 3.552 20 0 EHADLO CC1(C)NC(=O)Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212700030 1131936034 /nfs/dbraw/zinc/93/60/34/1131936034.db2.gz QDGZPQFTAQSIPR-UHFFFAOYSA-N 1 2 346.434 3.582 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000743564821 1131941756 /nfs/dbraw/zinc/94/17/56/1131941756.db2.gz JQUFSTUCNJHMIA-OKZBNKHCSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000743873152 1131996952 /nfs/dbraw/zinc/99/69/52/1131996952.db2.gz LJKOIINEHVFBQE-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000743873152 1131996963 /nfs/dbraw/zinc/99/69/63/1131996963.db2.gz LJKOIINEHVFBQE-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO OCCc1ccc2c(c1)O[C@H]([NH2+][C@H]1CCCC3(CCCCC3)C1)O2 ZINC001173346135 1132056720 /nfs/dbraw/zinc/05/67/20/1132056720.db2.gz ZMUICDRNUAVLOP-QFBILLFUSA-N 1 2 331.456 3.759 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001173474255 1132074753 /nfs/dbraw/zinc/07/47/53/1132074753.db2.gz SHSLMPYNWDCUNE-GTNSWQLSSA-N 1 2 339.426 3.778 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccoc1 ZINC000744393715 1132084928 /nfs/dbraw/zinc/08/49/28/1132084928.db2.gz RODUPYOCRJNZGK-UHFFFAOYSA-N 1 2 341.455 3.731 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccoc1 ZINC000744393715 1132084936 /nfs/dbraw/zinc/08/49/36/1132084936.db2.gz RODUPYOCRJNZGK-UHFFFAOYSA-N 1 2 341.455 3.731 20 0 EHADLO c1nn(CC[NH+]2CCOCC2)cc1Nc1cccc(-c2ccccc2)c1 ZINC001173911732 1132172184 /nfs/dbraw/zinc/17/21/84/1132172184.db2.gz ODUISEBQRFWNDO-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO COc1ccc(C)cc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001173985078 1132195048 /nfs/dbraw/zinc/19/50/48/1132195048.db2.gz LZXREXQMACIRKC-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO Nc1ccc(Br)c2cnn(-c3cc[nH+]c4ccccc43)c21 ZINC001174040144 1132222383 /nfs/dbraw/zinc/22/23/83/1132222383.db2.gz UKRQTJMRHBOYEL-UHFFFAOYSA-N 1 2 339.196 3.918 20 0 EHADLO Nc1cc2cnn(-c3cc[nH+]c4ccccc43)c2c(Br)c1 ZINC001174039871 1132222450 /nfs/dbraw/zinc/22/24/50/1132222450.db2.gz GBOCGNVTHXEDPG-UHFFFAOYSA-N 1 2 339.196 3.918 20 0 EHADLO O=C(c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1)N1CCCC1 ZINC001174170613 1132266178 /nfs/dbraw/zinc/26/61/78/1132266178.db2.gz VUBYPCCCGOPYSJ-UHFFFAOYSA-N 1 2 336.439 3.661 20 0 EHADLO CC(C)CNC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001174192503 1132277204 /nfs/dbraw/zinc/27/72/04/1132277204.db2.gz UETRKYQHKXVZAC-UHFFFAOYSA-N 1 2 338.455 3.811 20 0 EHADLO COc1ccc(F)c(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001174210281 1132286645 /nfs/dbraw/zinc/28/66/45/1132286645.db2.gz UUIBVOHKHACYIA-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc(-n4cccn4)c3)c[nH+]2)C[C@H](C)O1 ZINC001174298500 1132301320 /nfs/dbraw/zinc/30/13/20/1132301320.db2.gz CFWNXLPYZXVQLI-IYBDPMFKSA-N 1 2 349.438 3.625 20 0 EHADLO CCN(C)C(=O)c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001174321613 1132317372 /nfs/dbraw/zinc/31/73/72/1132317372.db2.gz HZEAIYNFURGTFF-UHFFFAOYSA-N 1 2 334.423 3.767 20 0 EHADLO C[NH+]1CCN(c2ccc(Nc3cccc4[nH]ncc43)cc2Cl)CC1 ZINC001174344281 1132325049 /nfs/dbraw/zinc/32/50/49/1132325049.db2.gz SCFHKXQWJPWGHA-UHFFFAOYSA-N 1 2 341.846 3.712 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746032682 1132351711 /nfs/dbraw/zinc/35/17/11/1132351711.db2.gz GWTAESWDUXTOEV-UHFFFAOYSA-N 1 2 348.874 3.829 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746032682 1132351716 /nfs/dbraw/zinc/35/17/16/1132351716.db2.gz GWTAESWDUXTOEV-UHFFFAOYSA-N 1 2 348.874 3.829 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001174440253 1132358534 /nfs/dbraw/zinc/35/85/34/1132358534.db2.gz IGDYIIWATIWMEQ-UHFFFAOYSA-N 1 2 340.427 3.809 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000183711624 1132403315 /nfs/dbraw/zinc/40/33/15/1132403315.db2.gz ALVAVRDBNYMVPF-SZVBFZGTSA-N 1 2 338.455 3.592 20 0 EHADLO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184448470 1132410367 /nfs/dbraw/zinc/41/03/67/1132410367.db2.gz ZBTOBZIBTHXPOB-LBPRGKRZSA-N 1 2 347.484 3.739 20 0 EHADLO COc1c(F)ccc(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001174662714 1132442461 /nfs/dbraw/zinc/44/24/61/1132442461.db2.gz OMKJQSJGYKIHRD-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000189158506 1132443530 /nfs/dbraw/zinc/44/35/30/1132443530.db2.gz MVNDFGVJDOTSEL-UHFFFAOYSA-N 1 2 337.427 3.836 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000189158506 1132443533 /nfs/dbraw/zinc/44/35/33/1132443533.db2.gz MVNDFGVJDOTSEL-UHFFFAOYSA-N 1 2 337.427 3.836 20 0 EHADLO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1-c1ccccc1)CCO2 ZINC000191616198 1132464786 /nfs/dbraw/zinc/46/47/86/1132464786.db2.gz KFGBBSAIJJIJQQ-LJQANCHMSA-N 1 2 349.434 3.884 20 0 EHADLO COc1ccc2ccc(C(=O)NCc3c[nH+]cn3C3CCC3)cc2c1 ZINC001174868575 1132492350 /nfs/dbraw/zinc/49/23/50/1132492350.db2.gz ZQWIXNXNIOPPOD-UHFFFAOYSA-N 1 2 335.407 3.700 20 0 EHADLO COc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC001174898628 1132497584 /nfs/dbraw/zinc/49/75/84/1132497584.db2.gz JZGXDSBAGYRSRT-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO Cc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1Br ZINC001174976465 1132509352 /nfs/dbraw/zinc/50/93/52/1132509352.db2.gz VDVNXYKEZJZUGD-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Br)c1 ZINC001174977077 1132511073 /nfs/dbraw/zinc/51/10/73/1132511073.db2.gz MGZOEEIJXVLHPY-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1nc2cc(C)c(Nc3ccc(N4CCOCC4)[nH+]c3)cc2s1 ZINC001174976777 1132511809 /nfs/dbraw/zinc/51/18/09/1132511809.db2.gz BFMAACOXUQEYRQ-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CC(C)(C)c1ccc(O)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174978107 1132513751 /nfs/dbraw/zinc/51/37/51/1132513751.db2.gz PSCIEHUESRXFDG-UHFFFAOYSA-N 1 2 327.428 3.665 20 0 EHADLO CN1CC[NH+](Cc2ccccc2Nc2cc(F)c(F)c(F)c2)CC1 ZINC001174958782 1132518704 /nfs/dbraw/zinc/51/87/04/1132518704.db2.gz LRWIRZCMJWJYSN-UHFFFAOYSA-N 1 2 335.373 3.595 20 0 EHADLO CC1(F)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001175025976 1132523265 /nfs/dbraw/zinc/52/32/65/1132523265.db2.gz VIIDHZKDULLUMC-AWEZNQCLSA-N 1 2 345.245 3.923 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(=S)o1 ZINC000766382967 1132523652 /nfs/dbraw/zinc/52/36/52/1132523652.db2.gz VUPXINHTGXKNKK-CHWSQXEVSA-N 1 2 333.457 3.817 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(=S)o1 ZINC000766382967 1132523658 /nfs/dbraw/zinc/52/36/58/1132523658.db2.gz VUPXINHTGXKNKK-CHWSQXEVSA-N 1 2 333.457 3.817 20 0 EHADLO Cc1nc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)c(C)cc2s1 ZINC001174979508 1132533954 /nfs/dbraw/zinc/53/39/54/1132533954.db2.gz MYLBTBOBJDEQHN-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CCN(CCc1cccs1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766423195 1132535624 /nfs/dbraw/zinc/53/56/24/1132535624.db2.gz YJFULYWZAOTWHV-UHFFFAOYSA-N 1 2 329.473 3.712 20 0 EHADLO CCO[C@@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)C1CCCC1 ZINC000766420844 1132539192 /nfs/dbraw/zinc/53/91/92/1132539192.db2.gz FWUIOSRMIRNLEY-INIZCTEOSA-N 1 2 345.491 3.979 20 0 EHADLO Cc1cccc(CC2CN(c3[nH+]cnc4c3cnn4C(C)(C)C)C2)c1 ZINC000766430576 1132542363 /nfs/dbraw/zinc/54/23/63/1132542363.db2.gz WETGIIYBMVNFBX-UHFFFAOYSA-N 1 2 335.455 3.569 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC(C)(C)[C@@H]1CCCCO1 ZINC000766429644 1132542615 /nfs/dbraw/zinc/54/26/15/1132542615.db2.gz QWJIZAVYHLXPIV-AWEZNQCLSA-N 1 2 331.464 3.589 20 0 EHADLO Brc1ccc2[nH+]ccn2c1NCCCCc1ccccn1 ZINC001168802760 1132563357 /nfs/dbraw/zinc/56/33/57/1132563357.db2.gz KRUSRTFLXRQZGV-UHFFFAOYSA-N 1 2 345.244 3.927 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1Cl)[NH2+]CCc1cccc(F)c1 ZINC001175175711 1132589349 /nfs/dbraw/zinc/58/93/49/1132589349.db2.gz VRFFPCHUMSNBAX-SFHVURJKSA-N 1 2 349.833 3.786 20 0 EHADLO Cc1cc(Cl)cnc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212582046 1132591065 /nfs/dbraw/zinc/59/10/65/1132591065.db2.gz JUHVIAJSDNBPMT-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000866981634 1132594958 /nfs/dbraw/zinc/59/49/58/1132594958.db2.gz DQRWCXQZKPAROW-WIYYLYMNSA-N 1 2 339.483 3.641 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cc(F)cc2Br)c[nH+]1 ZINC001175343483 1132627246 /nfs/dbraw/zinc/62/72/46/1132627246.db2.gz KSLSCZZYRURRGY-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO Cc1cnc(Br)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175345841 1132629317 /nfs/dbraw/zinc/62/93/17/1132629317.db2.gz GDAZEUGRVHYIBZ-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CC(C)(C)c1nnc2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cn21 ZINC001175347129 1132629610 /nfs/dbraw/zinc/62/96/10/1132629610.db2.gz CUZOGPSZEJTBPN-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO CCOC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)cc2cc[nH]c21 ZINC001169003812 1132629791 /nfs/dbraw/zinc/62/97/91/1132629791.db2.gz HNNCMXAASUCJPC-UHFFFAOYSA-N 1 2 348.406 3.647 20 0 EHADLO COCCOc1c(F)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349355 1132629941 /nfs/dbraw/zinc/62/99/41/1132629941.db2.gz OAQMESSAMPWANZ-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO COc1cccc(-n2nccc2Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175347898 1132630497 /nfs/dbraw/zinc/63/04/97/1132630497.db2.gz WKMBYICOWMHACL-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO CCOC(=O)c1cnc(Cl)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349099 1132640452 /nfs/dbraw/zinc/64/04/52/1132640452.db2.gz KWSQGJOOGKAUOD-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO O=C1CCCN1Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352063 1132645634 /nfs/dbraw/zinc/64/56/34/1132645634.db2.gz QSBPEKWHUKLPJH-UHFFFAOYSA-N 1 2 336.439 3.548 20 0 EHADLO COc1cc(OC)c(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001175351962 1132645754 /nfs/dbraw/zinc/64/57/54/1132645754.db2.gz YJNXREQLBWOLQP-UHFFFAOYSA-N 1 2 335.354 3.721 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001169158224 1132681535 /nfs/dbraw/zinc/68/15/35/1132681535.db2.gz DPRCJXMJUSVLMZ-WIYYLYMNSA-N 1 2 349.409 3.551 20 0 EHADLO OC1CCN(c2ccc(NC=Cc3ccc(Cl)cc3)c[nH+]2)CC1 ZINC001175594764 1132707327 /nfs/dbraw/zinc/70/73/27/1132707327.db2.gz VOWBUHBVAPYQAS-JXMROGBWSA-N 1 2 329.831 3.779 20 0 EHADLO CCCc1cc(NCC2CCC3(CCC(=O)N3)CC2)nc(CCC)[nH+]1 ZINC001169293108 1132719434 /nfs/dbraw/zinc/71/94/34/1132719434.db2.gz IIFTVYGLTFZAEM-UHFFFAOYSA-N 1 2 344.503 3.633 20 0 EHADLO Nc1cn2ccc(N[C@H]3CCc4c3cccc4OC(F)(F)F)cc2[nH+]1 ZINC001169360188 1132732547 /nfs/dbraw/zinc/73/25/47/1132732547.db2.gz VIPSZBREJFUSOP-ZDUSSCGKSA-N 1 2 348.328 3.915 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001175712727 1132740438 /nfs/dbraw/zinc/74/04/38/1132740438.db2.gz IXKNGRQTEJLKNU-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO COc1cccc(C(C)=O)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713959 1132741350 /nfs/dbraw/zinc/74/13/50/1132741350.db2.gz IFEFNWBYWALQPP-UHFFFAOYSA-N 1 2 325.290 3.637 20 0 EHADLO COC(=O)c1c(C)ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1F ZINC001175715797 1132741527 /nfs/dbraw/zinc/74/15/27/1132741527.db2.gz HWKZEBMLHQGKHO-UHFFFAOYSA-N 1 2 343.280 3.660 20 0 EHADLO COC(=O)c1cc(Cl)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175714270 1132741803 /nfs/dbraw/zinc/74/18/03/1132741803.db2.gz LQWXAEZCHCWDQN-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO COC(=O)/C=C/c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717395 1132742703 /nfs/dbraw/zinc/74/27/03/1132742703.db2.gz TUQPHMCJWYTNKX-AATRIKPKSA-N 1 2 337.301 3.612 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000804321238 1132743441 /nfs/dbraw/zinc/74/34/41/1132743441.db2.gz KWTJJAYPFPZEQF-UHFFFAOYSA-N 1 2 345.446 3.680 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(Br)cn2)c[nH+]1 ZINC001175706982 1132754244 /nfs/dbraw/zinc/75/42/44/1132754244.db2.gz CKDLNJADJBFJOK-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO CC(=O)N=C1C=C[N@@H+](c2ccc3sc4ccccc4c3c2)C=C1N ZINC001175752989 1132758175 /nfs/dbraw/zinc/75/81/75/1132758175.db2.gz XUMQVNVLCOITHC-UHFFFAOYSA-N 1 2 333.416 3.875 20 0 EHADLO CC(=O)N=C1C=C[N@H+](c2ccc3sc4ccccc4c3c2)C=C1N ZINC001175752989 1132758178 /nfs/dbraw/zinc/75/81/78/1132758178.db2.gz XUMQVNVLCOITHC-UHFFFAOYSA-N 1 2 333.416 3.875 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC001175936283 1132791018 /nfs/dbraw/zinc/79/10/18/1132791018.db2.gz VPOZJEAHZQXATM-KRWDZBQOSA-N 1 2 337.389 3.900 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC001175936283 1132791023 /nfs/dbraw/zinc/79/10/23/1132791023.db2.gz VPOZJEAHZQXATM-KRWDZBQOSA-N 1 2 337.389 3.900 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc2oc3c(c2c1)CCCC3)[C@@H]1CCSC1 ZINC000766759385 1132792315 /nfs/dbraw/zinc/79/23/15/1132792315.db2.gz MBHVTSQQZZFZFL-CYBMUJFWSA-N 1 2 345.464 3.654 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc2oc3c(c2c1)CCCC3)[C@@H]1CCSC1 ZINC000766759385 1132792321 /nfs/dbraw/zinc/79/23/21/1132792321.db2.gz MBHVTSQQZZFZFL-CYBMUJFWSA-N 1 2 345.464 3.654 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@@H]1Nc1cccc(Cc2ccncc2)[nH+]1 ZINC001169629449 1132801087 /nfs/dbraw/zinc/80/10/87/1132801087.db2.gz WPLRHWAYUZRTTM-PZJWPPBQSA-N 1 2 331.419 3.528 20 0 EHADLO O=C1COc2c[nH+]c(NC3(c4ccccc4C(F)(F)F)CC3)cc2N1 ZINC001169629199 1132801116 /nfs/dbraw/zinc/80/11/16/1132801116.db2.gz RHFREXPLYGAQEX-UHFFFAOYSA-N 1 2 349.312 3.533 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001176070405 1132827389 /nfs/dbraw/zinc/82/73/89/1132827389.db2.gz YDEUNNYRZIQKQC-UHFFFAOYSA-N 1 2 340.402 3.938 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC001176121529 1132853124 /nfs/dbraw/zinc/85/31/24/1132853124.db2.gz WZDNLYUCNWKJRK-UHFFFAOYSA-N 1 2 325.412 3.896 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC001176123409 1132853317 /nfs/dbraw/zinc/85/33/17/1132853317.db2.gz RYSMGLTUIREKMU-UHFFFAOYSA-N 1 2 334.379 3.668 20 0 EHADLO CCOc1ccccc1OCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001169794974 1132861509 /nfs/dbraw/zinc/86/15/09/1132861509.db2.gz ZKRJKFDSWHGIFE-UHFFFAOYSA-N 1 2 337.423 3.821 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC001176203244 1132870989 /nfs/dbraw/zinc/87/09/89/1132870989.db2.gz CENKMAYBNHZPDH-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO Fc1cccc(-c2nnc(C[NH2+][C@@H]3CCc4c3cccc4F)o2)c1 ZINC001176243450 1132885131 /nfs/dbraw/zinc/88/51/31/1132885131.db2.gz PKASKXXBJVIWAR-MRXNPFEDSA-N 1 2 327.334 3.792 20 0 EHADLO Clc1ccccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001176555175 1132966449 /nfs/dbraw/zinc/96/64/49/1132966449.db2.gz VWFWHOQRVDIBOB-UHFFFAOYSA-N 1 2 343.858 3.604 20 0 EHADLO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC001176878123 1133006711 /nfs/dbraw/zinc/00/67/11/1133006711.db2.gz DGFKRWPCZSPASE-UHFFFAOYSA-N 1 2 348.450 3.820 20 0 EHADLO O=C(Nc1cccc2cc(O)ccc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967590 1133017279 /nfs/dbraw/zinc/01/72/79/1133017279.db2.gz QGEUKHLYBFBKDN-MRXNPFEDSA-N 1 2 347.418 3.796 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974665 1133017799 /nfs/dbraw/zinc/01/77/99/1133017799.db2.gz ZSZDKEYFZVVRBO-QGZVFWFLSA-N 1 2 337.467 3.658 20 0 EHADLO OCC[C@@H]1COCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000767596307 1133023622 /nfs/dbraw/zinc/02/36/22/1133023622.db2.gz BAOTTXMWCCAUEN-QGZVFWFLSA-N 1 2 347.842 3.716 20 0 EHADLO OCC[C@@H]1COCC[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000767596307 1133023626 /nfs/dbraw/zinc/02/36/26/1133023626.db2.gz BAOTTXMWCCAUEN-QGZVFWFLSA-N 1 2 347.842 3.716 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C(C)(C)C)on2)n1 ZINC000742051723 1133037974 /nfs/dbraw/zinc/03/79/74/1133037974.db2.gz APUGLXPZZJOGQR-UHFFFAOYSA-N 1 2 336.461 3.523 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773671192 1133070910 /nfs/dbraw/zinc/07/09/10/1133070910.db2.gz VQQNWYDKMVPATK-OAHLLOKOSA-N 1 2 349.906 3.909 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773671192 1133070914 /nfs/dbraw/zinc/07/09/14/1133070914.db2.gz VQQNWYDKMVPATK-OAHLLOKOSA-N 1 2 349.906 3.909 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000767964181 1133078476 /nfs/dbraw/zinc/07/84/76/1133078476.db2.gz FDZZBBCVESVVBC-YJBOKZPZSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000767964181 1133078478 /nfs/dbraw/zinc/07/84/78/1133078478.db2.gz FDZZBBCVESVVBC-YJBOKZPZSA-N 1 2 334.847 3.610 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1F ZINC001204203302 1133099942 /nfs/dbraw/zinc/09/99/42/1133099942.db2.gz UCRUWJMADDRJMD-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1F ZINC001204203302 1133099947 /nfs/dbraw/zinc/09/99/47/1133099947.db2.gz UCRUWJMADDRJMD-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000768154334 1133102524 /nfs/dbraw/zinc/10/25/24/1133102524.db2.gz KLHKTFVGUHERPZ-INIZCTEOSA-N 1 2 345.874 3.721 20 0 EHADLO CCc1nc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC001177920384 1133114121 /nfs/dbraw/zinc/11/41/21/1133114121.db2.gz SXLKZSIGNXNSFR-CQSZACIVSA-N 1 2 349.887 3.644 20 0 EHADLO CC(C)Oc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC001177927241 1133115999 /nfs/dbraw/zinc/11/59/99/1133115999.db2.gz VTIXBTGFALZQEH-LLVKDONJSA-N 1 2 341.333 3.889 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC001177955592 1133121470 /nfs/dbraw/zinc/12/14/70/1133121470.db2.gz NJYDLUWBKBGDDN-ZDUSSCGKSA-N 1 2 326.831 3.986 20 0 EHADLO Fc1cc2c(c(F)c1)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)CO2 ZINC001178469872 1133171414 /nfs/dbraw/zinc/17/14/14/1133171414.db2.gz ZLWBIYLBIXJDCD-CYBMUJFWSA-N 1 2 327.277 3.790 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cnc(C4CC4)s3)c[nH+]2)C[C@H](C)O1 ZINC001178614408 1133185596 /nfs/dbraw/zinc/18/55/96/1133185596.db2.gz MEBJLXZHWZTENN-STQMWFEESA-N 1 2 344.484 3.641 20 0 EHADLO CCc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC001178615193 1133186598 /nfs/dbraw/zinc/18/65/98/1133186598.db2.gz SWSJLNUEKRRIGL-KBPBESRZSA-N 1 2 331.485 3.931 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC001204228778 1133199001 /nfs/dbraw/zinc/19/90/01/1133199001.db2.gz YGMIURLQQGQCOB-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO CC(C)(c1ccc(C(=O)OCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000768976092 1133208625 /nfs/dbraw/zinc/20/86/25/1133208625.db2.gz TTWRUAUYXVAXGU-UHFFFAOYSA-N 1 2 326.318 3.580 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnc(C(C)C)s1)C2 ZINC000768983879 1133210236 /nfs/dbraw/zinc/21/02/36/1133210236.db2.gz ACFVOGKEEITCFG-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cnc(C(C)C)s1)C2 ZINC000768983879 1133210239 /nfs/dbraw/zinc/21/02/39/1133210239.db2.gz ACFVOGKEEITCFG-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO C/C(=C/C(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1Cl ZINC001178922512 1133213854 /nfs/dbraw/zinc/21/38/54/1133213854.db2.gz NRBUIDMJAWDPHP-BENRWUELSA-N 1 2 329.831 3.662 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccoc1)C1CC1)Cc1ccccc1Cl ZINC001179012289 1133221715 /nfs/dbraw/zinc/22/17/15/1133221715.db2.gz HCZACZGSEADEGL-UHFFFAOYSA-N 1 2 346.858 3.946 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccoc1)C1CC1)Cc1ccccc1Cl ZINC001179012289 1133221720 /nfs/dbraw/zinc/22/17/20/1133221720.db2.gz HCZACZGSEADEGL-UHFFFAOYSA-N 1 2 346.858 3.946 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)[nH+]1 ZINC001179087871 1133226591 /nfs/dbraw/zinc/22/65/91/1133226591.db2.gz HPWGYNZQBUXCDG-UHFFFAOYSA-N 1 2 344.415 3.726 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2csc(-c3ccc(F)cc3)n2)c[nH+]1 ZINC001179087871 1133226598 /nfs/dbraw/zinc/22/65/98/1133226598.db2.gz HPWGYNZQBUXCDG-UHFFFAOYSA-N 1 2 344.415 3.726 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3nnc4ccccn43)ccc2c1 ZINC000769201363 1133244313 /nfs/dbraw/zinc/24/43/13/1133244313.db2.gz AANJPNTWCRYTIU-UHFFFAOYSA-N 1 2 332.407 3.523 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3nnc4ccccn43)ccc2c1 ZINC000769201363 1133244320 /nfs/dbraw/zinc/24/43/20/1133244320.db2.gz AANJPNTWCRYTIU-UHFFFAOYSA-N 1 2 332.407 3.523 20 0 EHADLO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC001179333153 1133244984 /nfs/dbraw/zinc/24/49/84/1133244984.db2.gz RCQCRDSPLSNWOC-CQSZACIVSA-N 1 2 341.461 3.525 20 0 EHADLO Cc1cc(NCc2cc3c(c(Br)c2)OCO3)c[nH+]c1C ZINC001179448108 1133251824 /nfs/dbraw/zinc/25/18/24/1133251824.db2.gz WXZXGPXQFVRNCU-UHFFFAOYSA-N 1 2 335.201 3.802 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000769341633 1133267076 /nfs/dbraw/zinc/26/70/76/1133267076.db2.gz FNGFWORHRLIGFY-MRXNPFEDSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000769341633 1133267080 /nfs/dbraw/zinc/26/70/80/1133267080.db2.gz FNGFWORHRLIGFY-MRXNPFEDSA-N 1 2 341.282 3.970 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769508708 1133305139 /nfs/dbraw/zinc/30/51/39/1133305139.db2.gz URXZHCXHDRYUKS-SFHVURJKSA-N 1 2 331.387 3.764 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769508708 1133305142 /nfs/dbraw/zinc/30/51/42/1133305142.db2.gz URXZHCXHDRYUKS-SFHVURJKSA-N 1 2 331.387 3.764 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001180057478 1133323304 /nfs/dbraw/zinc/32/33/04/1133323304.db2.gz FWTKZZOPBFQDCU-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001180057478 1133323309 /nfs/dbraw/zinc/32/33/09/1133323309.db2.gz FWTKZZOPBFQDCU-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000769908243 1133357490 /nfs/dbraw/zinc/35/74/90/1133357490.db2.gz LPMNDOJLGLKLHF-HXUWFJFHSA-N 1 2 340.442 3.757 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000769908243 1133357496 /nfs/dbraw/zinc/35/74/96/1133357496.db2.gz LPMNDOJLGLKLHF-HXUWFJFHSA-N 1 2 340.442 3.757 20 0 EHADLO COc1cccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2C)c1F ZINC000769980048 1133372134 /nfs/dbraw/zinc/37/21/34/1133372134.db2.gz JUMAIZALHXIRLK-SFHVURJKSA-N 1 2 344.430 3.628 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc4[nH+]ccn43)oc21 ZINC000770057421 1133378077 /nfs/dbraw/zinc/37/80/77/1133378077.db2.gz QZTXVIBFQBSOEG-CYBMUJFWSA-N 1 2 349.390 3.970 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000770086431 1133386033 /nfs/dbraw/zinc/38/60/33/1133386033.db2.gz VTUKDOGIXHHONE-OAHLLOKOSA-N 1 2 337.448 3.589 20 0 EHADLO O=C(Nc1ccccc1OCC(F)(F)F)c1cccc2[nH+]ccn21 ZINC000770062084 1133388380 /nfs/dbraw/zinc/38/83/80/1133388380.db2.gz KULXJYFOCIPEME-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO COCC[N@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC001180546294 1133391712 /nfs/dbraw/zinc/39/17/12/1133391712.db2.gz GFRHFBVXKPZEQF-UHFFFAOYSA-N 1 2 335.879 3.901 20 0 EHADLO COCC[N@@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC001180546294 1133391717 /nfs/dbraw/zinc/39/17/17/1133391717.db2.gz GFRHFBVXKPZEQF-UHFFFAOYSA-N 1 2 335.879 3.901 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc2[nH+]ccn21 ZINC000770414575 1133426154 /nfs/dbraw/zinc/42/61/54/1133426154.db2.gz HZFBFPQBFMUAMR-UHFFFAOYSA-N 1 2 329.363 3.725 20 0 EHADLO CCOC(=O)N1CCC(C)(CNc2[nH+]cccc2OC(C)C)CC1 ZINC001180941415 1133433212 /nfs/dbraw/zinc/43/32/12/1133433212.db2.gz BMMWELJSYGJGIU-UHFFFAOYSA-N 1 2 335.448 3.539 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)C(=O)OC ZINC001180962275 1133436702 /nfs/dbraw/zinc/43/67/02/1133436702.db2.gz KVXGSNUIVOJVKC-KSZLIROESA-N 1 2 333.472 3.944 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1C(C)(C)C ZINC001181007046 1133439660 /nfs/dbraw/zinc/43/96/60/1133439660.db2.gz CBJMSRMGXVZVIX-QGZVFWFLSA-N 1 2 335.488 3.619 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1C(C)(C)C ZINC001181007046 1133439663 /nfs/dbraw/zinc/43/96/63/1133439663.db2.gz CBJMSRMGXVZVIX-QGZVFWFLSA-N 1 2 335.488 3.619 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)nc1N(C)C ZINC000770670980 1133457485 /nfs/dbraw/zinc/45/74/85/1133457485.db2.gz OQXKXRSDVALNDX-CQSZACIVSA-N 1 2 337.537 3.531 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)nc1N(C)C ZINC000770670980 1133457491 /nfs/dbraw/zinc/45/74/91/1133457491.db2.gz OQXKXRSDVALNDX-CQSZACIVSA-N 1 2 337.537 3.531 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181135811 1133457740 /nfs/dbraw/zinc/45/77/40/1133457740.db2.gz WJJUEILYVQZXCB-LLVKDONJSA-N 1 2 349.324 3.642 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181135811 1133457742 /nfs/dbraw/zinc/45/77/42/1133457742.db2.gz WJJUEILYVQZXCB-LLVKDONJSA-N 1 2 349.324 3.642 20 0 EHADLO Cc1ccc(C[C@H](NC(=O)Cc2cc[nH+]c(N)c2)c2ccccc2)cc1 ZINC001181279241 1133474922 /nfs/dbraw/zinc/47/49/22/1133474922.db2.gz IXCZLJSJJPWPJN-FQEVSTJZSA-N 1 2 345.446 3.615 20 0 EHADLO Cc1cccc(OCCCCC(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770927751 1133486142 /nfs/dbraw/zinc/48/61/42/1133486142.db2.gz ZNLCYIVQAUANKQ-UHFFFAOYSA-N 1 2 338.407 3.935 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1Cl ZINC001181505402 1133494953 /nfs/dbraw/zinc/49/49/53/1133494953.db2.gz FUJPENAYFZZKQN-IAQYHMDHSA-N 1 2 332.271 3.983 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1Cl ZINC001181505402 1133494955 /nfs/dbraw/zinc/49/49/55/1133494955.db2.gz FUJPENAYFZZKQN-IAQYHMDHSA-N 1 2 332.271 3.983 20 0 EHADLO CCCC[C@@H](C)[C@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181958890 1133556741 /nfs/dbraw/zinc/55/67/41/1133556741.db2.gz RMFDQJYBLIPWGM-CVEARBPZSA-N 1 2 348.491 3.597 20 0 EHADLO O=C(OCCn1cc[nH+]c1)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000771860368 1133608289 /nfs/dbraw/zinc/60/82/89/1133608289.db2.gz OWBQUNGQINERFY-VBKFSLOCSA-N 1 2 342.395 3.868 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000771973868 1133623344 /nfs/dbraw/zinc/62/33/44/1133623344.db2.gz DGNLZWYRSNBPRA-UHFFFAOYSA-N 1 2 346.308 3.824 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000771986591 1133624261 /nfs/dbraw/zinc/62/42/61/1133624261.db2.gz SGRCDFRKUQWLLP-UHFFFAOYSA-N 1 2 342.782 3.766 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001170040951 1133672116 /nfs/dbraw/zinc/67/21/16/1133672116.db2.gz ZRHVSOXECSIDSM-INIZCTEOSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001170040951 1133672118 /nfs/dbraw/zinc/67/21/18/1133672118.db2.gz ZRHVSOXECSIDSM-INIZCTEOSA-N 1 2 339.867 3.568 20 0 EHADLO O=C(Cc1occ2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182503285 1133691916 /nfs/dbraw/zinc/69/19/16/1133691916.db2.gz VNMVTWGZGHKGDR-UHFFFAOYSA-N 1 2 331.375 3.859 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@@H](O)c3ccc(Cl)cc3)cc2[nH+]1 ZINC000772573067 1133701588 /nfs/dbraw/zinc/70/15/88/1133701588.db2.gz VAMIPQUBHLBTTA-MRXNPFEDSA-N 1 2 329.787 3.587 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(Br)cn1 ZINC001206534386 1133721265 /nfs/dbraw/zinc/72/12/65/1133721265.db2.gz WDBHKJXSOCJFNK-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(Br)cn1 ZINC001206534386 1133721267 /nfs/dbraw/zinc/72/12/67/1133721267.db2.gz WDBHKJXSOCJFNK-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000785567392 1133728311 /nfs/dbraw/zinc/72/83/11/1133728311.db2.gz XFBGUJYINLGJJX-WBVHZDCISA-N 1 2 326.444 3.640 20 0 EHADLO Cn1cccc1C[N@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001203265437 1133762045 /nfs/dbraw/zinc/76/20/45/1133762045.db2.gz HYDKEKHBTCEYNA-UHFFFAOYSA-N 1 2 345.490 3.931 20 0 EHADLO Cn1cccc1C[N@@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001203265437 1133762049 /nfs/dbraw/zinc/76/20/49/1133762049.db2.gz HYDKEKHBTCEYNA-UHFFFAOYSA-N 1 2 345.490 3.931 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001170051664 1133765636 /nfs/dbraw/zinc/76/56/36/1133765636.db2.gz IKSKUKOCLYYHPP-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001170051664 1133765641 /nfs/dbraw/zinc/76/56/41/1133765641.db2.gz IKSKUKOCLYYHPP-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccc(Cl)cn3)c2)[nH+]c1C ZINC000785941281 1133780770 /nfs/dbraw/zinc/78/07/70/1133780770.db2.gz HJPBNOOOLLLYFN-UHFFFAOYSA-N 1 2 340.814 3.923 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2c(F)cc(F)cc2C1)c1ccc(F)cc1Cl ZINC000774645346 1133821815 /nfs/dbraw/zinc/82/18/15/1133821815.db2.gz JGWLIIJKKZKVSI-KRWDZBQOSA-N 1 2 341.760 3.849 20 0 EHADLO O[C@@H](C[N@H+]1CCc2c(F)cc(F)cc2C1)c1ccc(F)cc1Cl ZINC000774645346 1133821823 /nfs/dbraw/zinc/82/18/23/1133821823.db2.gz JGWLIIJKKZKVSI-KRWDZBQOSA-N 1 2 341.760 3.849 20 0 EHADLO COc1ccc2[nH]c(C(=O)OCc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000786361256 1133840405 /nfs/dbraw/zinc/84/04/05/1133840405.db2.gz NLPTXTIWYCXLJY-UHFFFAOYSA-N 1 2 347.374 3.719 20 0 EHADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000786407913 1133846137 /nfs/dbraw/zinc/84/61/37/1133846137.db2.gz BECXRBZJKLDELW-UHFFFAOYSA-N 1 2 340.345 3.714 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758826 1133848520 /nfs/dbraw/zinc/84/85/20/1133848520.db2.gz XJBCMFNFVFXDRV-VQTJNVASSA-N 1 2 340.442 3.914 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758826 1133848529 /nfs/dbraw/zinc/84/85/29/1133848529.db2.gz XJBCMFNFVFXDRV-VQTJNVASSA-N 1 2 340.442 3.914 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747628 1133852775 /nfs/dbraw/zinc/85/27/75/1133852775.db2.gz LLPUHNNOZHQBBI-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747628 1133852782 /nfs/dbraw/zinc/85/27/82/1133852782.db2.gz LLPUHNNOZHQBBI-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)ccc12 ZINC001183752245 1133853975 /nfs/dbraw/zinc/85/39/75/1133853975.db2.gz LLWXSCINCUBRIP-HXUWFJFHSA-N 1 2 331.419 3.756 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)ccc12 ZINC001183752245 1133853982 /nfs/dbraw/zinc/85/39/82/1133853982.db2.gz LLWXSCINCUBRIP-HXUWFJFHSA-N 1 2 331.419 3.756 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447887 1133855504 /nfs/dbraw/zinc/85/55/04/1133855504.db2.gz ZEOBJSHPGRDCRR-UNEWFSDZSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447887 1133855511 /nfs/dbraw/zinc/85/55/11/1133855511.db2.gz ZEOBJSHPGRDCRR-UNEWFSDZSA-N 1 2 344.842 3.662 20 0 EHADLO Clc1cncc(CN2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC001183864263 1133872661 /nfs/dbraw/zinc/87/26/61/1133872661.db2.gz KLPCCWMYAIFJHB-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(OC)ns2)c(-c2ccccc2)n1 ZINC001183992251 1133886337 /nfs/dbraw/zinc/88/63/37/1133886337.db2.gz QOOQHJDSLOEOMU-UHFFFAOYSA-N 1 2 342.468 3.667 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(OC)ns2)c(-c2ccccc2)n1 ZINC001183992251 1133886342 /nfs/dbraw/zinc/88/63/42/1133886342.db2.gz QOOQHJDSLOEOMU-UHFFFAOYSA-N 1 2 342.468 3.667 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3nc(C(F)(F)F)cc3C2)cc1F ZINC001184106502 1133893532 /nfs/dbraw/zinc/89/35/32/1133893532.db2.gz RNLGXPQSFHBUSM-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3nc(C(F)(F)F)cc3C2)cc1F ZINC001184106502 1133893537 /nfs/dbraw/zinc/89/35/37/1133893537.db2.gz RNLGXPQSFHBUSM-OWOJBTEDSA-N 1 2 343.299 3.709 20 0 EHADLO Cc1nc(NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cc[nH+]1 ZINC000786824886 1133905202 /nfs/dbraw/zinc/90/52/02/1133905202.db2.gz ZCXAACIOSODTHI-IBGZPJMESA-N 1 2 347.418 3.724 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)nc1 ZINC000786982724 1133936322 /nfs/dbraw/zinc/93/63/22/1133936322.db2.gz RNFFMIFNIUJQQD-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746626211 1133937383 /nfs/dbraw/zinc/93/73/83/1133937383.db2.gz BXVLRFDNCCCYNW-UHFFFAOYSA-N 1 2 334.464 3.929 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746626211 1133937388 /nfs/dbraw/zinc/93/73/88/1133937388.db2.gz BXVLRFDNCCCYNW-UHFFFAOYSA-N 1 2 334.464 3.929 20 0 EHADLO CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000073372880 1133957220 /nfs/dbraw/zinc/95/72/20/1133957220.db2.gz GHXBBVQGCSCEAA-TZMCWYRMSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1ccc(OCCNc2nc(C)[nH+]c(C)c2Br)cc1 ZINC001184750464 1133986595 /nfs/dbraw/zinc/98/65/95/1133986595.db2.gz NCTOHXFFICGGCG-UHFFFAOYSA-N 1 2 336.233 3.655 20 0 EHADLO CCN(CCO)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C)c1 ZINC001184969319 1134009735 /nfs/dbraw/zinc/00/97/35/1134009735.db2.gz ZDJSKHIFJOSMHL-UHFFFAOYSA-N 1 2 340.471 3.552 20 0 EHADLO COc1ccccc1C1(CC(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC001184985318 1134016189 /nfs/dbraw/zinc/01/61/89/1134016189.db2.gz RYNRAXZTUJXGRY-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787596662 1134023055 /nfs/dbraw/zinc/02/30/55/1134023055.db2.gz ACPBCEHZWZHOPT-UHFFFAOYSA-N 1 2 343.383 3.592 20 0 EHADLO OC1(c2ccc(Cl)cc2)C[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000787684512 1134029331 /nfs/dbraw/zinc/02/93/31/1134029331.db2.gz BDZNWCDMWZLUTH-UHFFFAOYSA-N 1 2 339.769 3.645 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)OCO2 ZINC000774831892 1134039751 /nfs/dbraw/zinc/03/97/51/1134039751.db2.gz OGMBMGLCDMGGFZ-SSDOTTSWSA-N 1 2 345.267 3.962 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000774854924 1134064090 /nfs/dbraw/zinc/06/40/90/1134064090.db2.gz LNOICUDYPRZQIL-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000788050871 1134071120 /nfs/dbraw/zinc/07/11/20/1134071120.db2.gz XUMQULXFLRQVON-UHFFFAOYSA-N 1 2 332.366 3.655 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788241846 1134099330 /nfs/dbraw/zinc/09/93/30/1134099330.db2.gz IMFIAJLIOWPEAP-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788241846 1134099336 /nfs/dbraw/zinc/09/93/36/1134099336.db2.gz IMFIAJLIOWPEAP-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)o1 ZINC000788249856 1134100628 /nfs/dbraw/zinc/10/06/28/1134100628.db2.gz XQISKDXTQDEBIF-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)o1 ZINC000788249856 1134100631 /nfs/dbraw/zinc/10/06/31/1134100631.db2.gz XQISKDXTQDEBIF-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788251515 1134101487 /nfs/dbraw/zinc/10/14/87/1134101487.db2.gz XPUCKIDTVZQVNR-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788251515 1134101488 /nfs/dbraw/zinc/10/14/88/1134101488.db2.gz XPUCKIDTVZQVNR-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282999 1134107633 /nfs/dbraw/zinc/10/76/33/1134107633.db2.gz VEDZINILJKUWNW-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282999 1134107635 /nfs/dbraw/zinc/10/76/35/1134107635.db2.gz VEDZINILJKUWNW-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000788282999 1134107636 /nfs/dbraw/zinc/10/76/36/1134107636.db2.gz VEDZINILJKUWNW-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000788282999 1134107639 /nfs/dbraw/zinc/10/76/39/1134107639.db2.gz VEDZINILJKUWNW-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO CCc1cc(N2CC[C@H](OCCCc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185593294 1134112297 /nfs/dbraw/zinc/11/22/97/1134112297.db2.gz NINHMOVWFFGMOU-IBGZPJMESA-N 1 2 339.483 3.830 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000774911011 1134118226 /nfs/dbraw/zinc/11/82/26/1134118226.db2.gz DWGABKYQKMHAPF-ZDUSSCGKSA-N 1 2 326.209 3.639 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000774911011 1134118229 /nfs/dbraw/zinc/11/82/29/1134118229.db2.gz DWGABKYQKMHAPF-ZDUSSCGKSA-N 1 2 326.209 3.639 20 0 EHADLO CCc1cc(NCCOc2ncc(Cl)cc2Cl)nc(CC)[nH+]1 ZINC001185756176 1134128921 /nfs/dbraw/zinc/12/89/21/1134128921.db2.gz KWRIFRFVACBGIP-UHFFFAOYSA-N 1 2 341.242 3.794 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001185758088 1134129176 /nfs/dbraw/zinc/12/91/76/1134129176.db2.gz LYYVMVTXYHFSML-IBGZPJMESA-N 1 2 337.423 3.646 20 0 EHADLO CC1(C)CCC(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001185975589 1134156679 /nfs/dbraw/zinc/15/66/79/1134156679.db2.gz SLHZXPBSUSDXRN-MRXNPFEDSA-N 1 2 342.474 3.925 20 0 EHADLO CC1(C)CN(C(=O)c2nc(Cl)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000788745750 1134169106 /nfs/dbraw/zinc/16/91/06/1134169106.db2.gz KZNOYIIYHAYGBR-UHFFFAOYSA-N 1 2 349.887 3.533 20 0 EHADLO CC1(C)CN(C(=O)c2nc(Cl)cs2)CC[N@H+]1Cc1ccccc1 ZINC000788745750 1134169108 /nfs/dbraw/zinc/16/91/08/1134169108.db2.gz KZNOYIIYHAYGBR-UHFFFAOYSA-N 1 2 349.887 3.533 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)N[C@H](C)C2CCCCC2)CC1 ZINC001186327733 1134195614 /nfs/dbraw/zinc/19/56/14/1134195614.db2.gz RKYURTHWNYGOPI-MRXNPFEDSA-N 1 2 344.503 3.607 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CCC1)N[C@@H]1CCCc2ccccc21 ZINC001186484268 1134220917 /nfs/dbraw/zinc/22/09/17/1134220917.db2.gz IDINUOJQURCXCU-LJQANCHMSA-N 1 2 338.455 3.560 20 0 EHADLO Cc1cccc2[nH+]c(CCNc3cnc4cc(F)c(F)cc4n3)cn21 ZINC001186895309 1134268469 /nfs/dbraw/zinc/26/84/69/1134268469.db2.gz AZHKRKVXSBTGDW-UHFFFAOYSA-N 1 2 339.349 3.519 20 0 EHADLO Cc1nc(NC[C@@H](O)c2cccc3ccccc32)c2c([nH+]1)CCCC2 ZINC001186989603 1134276631 /nfs/dbraw/zinc/27/66/31/1134276631.db2.gz IZKWJXBVZKWMKE-HXUWFJFHSA-N 1 2 333.435 3.963 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000789528311 1134291007 /nfs/dbraw/zinc/29/10/07/1134291007.db2.gz DJEQMOXJNFXBHB-UHFFFAOYSA-N 1 2 348.752 3.870 20 0 EHADLO CCc1cc(N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)nc(C)[nH+]1 ZINC001187090735 1134297740 /nfs/dbraw/zinc/29/77/40/1134297740.db2.gz LFDBWCSFFCXHEK-KPZWWZAWSA-N 1 2 331.847 3.967 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000775102326 1134309653 /nfs/dbraw/zinc/30/96/53/1134309653.db2.gz DTYOBCPPXCDOJH-LBPRGKRZSA-N 1 2 342.443 3.566 20 0 EHADLO CCOC(=O)c1nc(Cl)nc(Cl)c1Nc1cc(C)c[nH+]c1C ZINC001203656488 1134311385 /nfs/dbraw/zinc/31/13/85/1134311385.db2.gz VMJLOGMUWYRCIG-UHFFFAOYSA-N 1 2 341.198 3.716 20 0 EHADLO Cc1nc(N(C)Cc2ccc(Br)cc2F)c(C)c(C)[nH+]1 ZINC001187242206 1134312992 /nfs/dbraw/zinc/31/29/92/1134312992.db2.gz FRCSFHPHEYHMOT-UHFFFAOYSA-N 1 2 338.224 3.940 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000789720792 1134325851 /nfs/dbraw/zinc/32/58/51/1134325851.db2.gz MMSKLIWLHQGDCX-FQEVSTJZSA-N 1 2 334.419 3.876 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000789720792 1134325858 /nfs/dbraw/zinc/32/58/58/1134325858.db2.gz MMSKLIWLHQGDCX-FQEVSTJZSA-N 1 2 334.419 3.876 20 0 EHADLO Cc1cc(NC[C@H]2CCC[C@@H](C(F)(F)F)O2)nc(C2CCC2)[nH+]1 ZINC001187541745 1134347777 /nfs/dbraw/zinc/34/77/77/1134347777.db2.gz NOBUYOZKOBLPJD-OLZOCXBDSA-N 1 2 329.366 3.964 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@H](COCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001170125978 1134361337 /nfs/dbraw/zinc/36/13/37/1134361337.db2.gz QNRUOGGSLFQNNU-BPQIPLTHSA-N 1 2 333.472 3.692 20 0 EHADLO CC(C)c1cc(NCc2ccc3c(c2)CC(=O)N3C)nc(C(C)C)[nH+]1 ZINC001187888432 1134398765 /nfs/dbraw/zinc/39/87/65/1134398765.db2.gz DYDAHJSCSSIGKF-UHFFFAOYSA-N 1 2 338.455 3.854 20 0 EHADLO Cc1ccc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC001187985859 1134409152 /nfs/dbraw/zinc/40/91/52/1134409152.db2.gz NYXBXJGXYYQBBZ-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)CN1Cc2ccc(OC)cc2C1=O ZINC000790438157 1134418732 /nfs/dbraw/zinc/41/87/32/1134418732.db2.gz RAHPNFFBKGVQKS-UHFFFAOYSA-N 1 2 344.842 3.784 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)CN1Cc2ccc(OC)cc2C1=O ZINC000790438157 1134418734 /nfs/dbraw/zinc/41/87/34/1134418734.db2.gz RAHPNFFBKGVQKS-UHFFFAOYSA-N 1 2 344.842 3.784 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1nnnn1C1CC1 ZINC000790538706 1134427427 /nfs/dbraw/zinc/42/74/27/1134427427.db2.gz SUSDSECVNWUJCB-AWEZNQCLSA-N 1 2 335.411 3.651 20 0 EHADLO CSc1ccc(NC(=O)NCc2c[nH+]cn2CC2CCC2)cc1 ZINC001188128767 1134430624 /nfs/dbraw/zinc/43/06/24/1134430624.db2.gz KPYURFPVYJQTOW-UHFFFAOYSA-N 1 2 330.457 3.727 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(C(F)(F)F)cnc1Cl ZINC000790928083 1134479889 /nfs/dbraw/zinc/47/98/89/1134479889.db2.gz QOZULWBHMXPINE-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO FC(F)(F)COc1ccc(Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC001203686475 1134492314 /nfs/dbraw/zinc/49/23/14/1134492314.db2.gz QWSPEUZKEJSQJV-UHFFFAOYSA-N 1 2 334.301 3.952 20 0 EHADLO CCc1nc(C)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791355973 1134539691 /nfs/dbraw/zinc/53/96/91/1134539691.db2.gz HAVJWGYVSLRQAD-UHFFFAOYSA-N 1 2 341.436 3.865 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cnccc1Cl ZINC000791431300 1134548852 /nfs/dbraw/zinc/54/88/52/1134548852.db2.gz OJEXMXCYFNOUQN-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO COc1ccc2cccc(CC(=O)OCc3cccc4[nH+]ccn43)c2c1 ZINC000780446816 1134554401 /nfs/dbraw/zinc/55/44/01/1134554401.db2.gz IKGFDGXLWZEHRV-UHFFFAOYSA-N 1 2 346.386 3.782 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189340018 1134573779 /nfs/dbraw/zinc/57/37/79/1134573779.db2.gz NKXFQRMEPWZJBC-UHFFFAOYSA-N 1 2 342.267 3.542 20 0 EHADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccc(Cl)c(Cl)c1 ZINC000791978782 1134635084 /nfs/dbraw/zinc/63/50/84/1134635084.db2.gz KITOZNMCBIVQCY-SECBINFHSA-N 1 2 325.195 3.818 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000791949285 1134637832 /nfs/dbraw/zinc/63/78/32/1134637832.db2.gz DRNVPLKWHFUZDK-KGLIPLIRSA-N 1 2 337.206 3.818 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001190004623 1134649151 /nfs/dbraw/zinc/64/91/51/1134649151.db2.gz IJLQWHYCEWARNK-UHFFFAOYSA-N 1 2 326.444 3.876 20 0 EHADLO CN(C(=O)c1ccccc1-n1cc[nH+]c1)[C@@H](C1CCC1)C(F)(F)F ZINC001190096966 1134655238 /nfs/dbraw/zinc/65/52/38/1134655238.db2.gz GBQQLNMCHXXAAN-HNNXBMFYSA-N 1 2 337.345 3.675 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000792259588 1134674109 /nfs/dbraw/zinc/67/41/09/1134674109.db2.gz ANPZQZLLDAYQTI-CQSZACIVSA-N 1 2 328.412 3.690 20 0 EHADLO O[C@@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)c(F)c1 ZINC000792323266 1134679798 /nfs/dbraw/zinc/67/97/98/1134679798.db2.gz PIXYOEPMIMTHTO-SFHVURJKSA-N 1 2 339.332 3.941 20 0 EHADLO O[C@@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)c(F)c1 ZINC000792323266 1134679800 /nfs/dbraw/zinc/67/98/00/1134679800.db2.gz PIXYOEPMIMTHTO-SFHVURJKSA-N 1 2 339.332 3.941 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc(COC)c1)c1ccccc1 ZINC000747070240 1134685558 /nfs/dbraw/zinc/68/55/58/1134685558.db2.gz PTSNKFGJWRKRGM-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc(COC)c1)c1ccccc1 ZINC000747070240 1134685562 /nfs/dbraw/zinc/68/55/62/1134685562.db2.gz PTSNKFGJWRKRGM-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO CCc1[nH+]ccc(C)c1Nc1ccc(C(=O)N2CCC(=O)CC2)cc1 ZINC001190454441 1134703403 /nfs/dbraw/zinc/70/34/03/1134703403.db2.gz ZSQDWPNJYJFYQW-UHFFFAOYSA-N 1 2 337.423 3.501 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)OC)ccc1F)CC2 ZINC001190571237 1134719901 /nfs/dbraw/zinc/71/99/01/1134719901.db2.gz LTWFRLGPTHWKCT-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)OC)ccc1F)CC2 ZINC001190571237 1134719907 /nfs/dbraw/zinc/71/99/07/1134719907.db2.gz LTWFRLGPTHWKCT-UHFFFAOYSA-N 1 2 343.398 3.569 20 0 EHADLO Nc1[nH+]ccc2c1CN(C(=O)c1ccccc1Nc1ccccc1)CC2 ZINC001170257716 1134725250 /nfs/dbraw/zinc/72/52/50/1134725250.db2.gz LOBOIDVOLIOBEN-UHFFFAOYSA-N 1 2 344.418 3.606 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ncc(C(F)(F)F)cc1Cl ZINC001190641411 1134731102 /nfs/dbraw/zinc/73/11/02/1134731102.db2.gz OYBYUCRYGHRWCE-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CCOCC34CCCCC4)n2)c1 ZINC001170316025 1134745407 /nfs/dbraw/zinc/74/54/07/1134745407.db2.gz UAPXFBKNJZIFIR-UHFFFAOYSA-N 1 2 329.419 3.547 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CCOCC34CCCCC4)n2)c1 ZINC001170316025 1134745412 /nfs/dbraw/zinc/74/54/12/1134745412.db2.gz UAPXFBKNJZIFIR-UHFFFAOYSA-N 1 2 329.419 3.547 20 0 EHADLO Cc1cc2cc(NCC3CCN(C(=O)C(C)(C)C)CC3)[nH+]cc2[nH]1 ZINC001170348775 1134759630 /nfs/dbraw/zinc/75/96/30/1134759630.db2.gz AVGJVODPFBSVAC-UHFFFAOYSA-N 1 2 328.460 3.568 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cncc(C(F)(F)F)c1 ZINC001190935363 1134766356 /nfs/dbraw/zinc/76/63/56/1134766356.db2.gz NNTJTRSPWFIXNO-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792811699 1134795142 /nfs/dbraw/zinc/79/51/42/1134795142.db2.gz NTLYFSSDCMBZKP-HNNXBMFYSA-N 1 2 348.402 3.842 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cccc(Oc2ccccc2)n1 ZINC001191147692 1134801384 /nfs/dbraw/zinc/80/13/84/1134801384.db2.gz ZDMONNKQZZDCOZ-UHFFFAOYSA-N 1 2 348.406 3.725 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(COc2ccccc2)c1 ZINC000793135379 1134859777 /nfs/dbraw/zinc/85/97/77/1134859777.db2.gz GLEKNEQIIBQXTK-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)s1 ZINC000793169912 1134867094 /nfs/dbraw/zinc/86/70/94/1134867094.db2.gz MTOFNOOJSABREB-JTQLQIEISA-N 1 2 349.406 3.870 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000775460057 1134876976 /nfs/dbraw/zinc/87/69/76/1134876976.db2.gz RUSDVJIVHYTOKP-CQSZACIVSA-N 1 2 336.451 3.714 20 0 EHADLO CC[C@H](C)c1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001191511992 1134878389 /nfs/dbraw/zinc/87/83/89/1134878389.db2.gz CNUBBMDZRSFXHE-ZDUSSCGKSA-N 1 2 332.469 3.690 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CC(c1ccccc1)c1ccccc1 ZINC000793252205 1134890449 /nfs/dbraw/zinc/89/04/49/1134890449.db2.gz YKHXSMYEFGKMFK-UHFFFAOYSA-N 1 2 334.419 3.728 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC001191837328 1134934002 /nfs/dbraw/zinc/93/40/02/1134934002.db2.gz CEHIFEMSGLXUFM-CQSZACIVSA-N 1 2 343.421 3.775 20 0 EHADLO C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078438360 1134975218 /nfs/dbraw/zinc/97/52/18/1134975218.db2.gz PSQUVHFANZXHTR-HNNXBMFYSA-N 1 2 345.402 3.526 20 0 EHADLO CC/C=C\CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291209 1134994518 /nfs/dbraw/zinc/99/45/18/1134994518.db2.gz BRWWNGLAQNDGRQ-IYKSTZQJSA-N 1 2 340.261 3.951 20 0 EHADLO CC/C=C\CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291209 1134994522 /nfs/dbraw/zinc/99/45/22/1134994522.db2.gz BRWWNGLAQNDGRQ-IYKSTZQJSA-N 1 2 340.261 3.951 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)c(O)c1 ZINC001192341085 1135001493 /nfs/dbraw/zinc/00/14/93/1135001493.db2.gz VMYGPJJFYIELGU-UHFFFAOYSA-N 1 2 327.428 3.541 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001192848269 1135065123 /nfs/dbraw/zinc/06/51/23/1135065123.db2.gz NTSYBGFLMWSWDN-QGZVFWFLSA-N 1 2 335.806 3.868 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001192848269 1135065130 /nfs/dbraw/zinc/06/51/30/1135065130.db2.gz NTSYBGFLMWSWDN-QGZVFWFLSA-N 1 2 335.806 3.868 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC001193136088 1135109014 /nfs/dbraw/zinc/10/90/14/1135109014.db2.gz IYCDNBOFQIDEHI-KDOFPFPSSA-N 1 2 343.402 3.535 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC001193324674 1135125469 /nfs/dbraw/zinc/12/54/69/1135125469.db2.gz QBGFCRLEJOZLHP-VQIMIIECSA-N 1 2 327.399 3.838 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC001193324674 1135125474 /nfs/dbraw/zinc/12/54/74/1135125474.db2.gz QBGFCRLEJOZLHP-VQIMIIECSA-N 1 2 327.399 3.838 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@H](C)O1 ZINC001193526027 1135151726 /nfs/dbraw/zinc/15/17/26/1135151726.db2.gz GPQIVTMDBLUADK-YJBOKZPZSA-N 1 2 345.414 3.854 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@H](C)O1 ZINC001193526027 1135151728 /nfs/dbraw/zinc/15/17/28/1135151728.db2.gz GPQIVTMDBLUADK-YJBOKZPZSA-N 1 2 345.414 3.854 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N(C(N)=[NH2+])c3ccccc3F)c[nH]2)cc1 ZINC001193781283 1135179778 /nfs/dbraw/zinc/17/97/78/1135179778.db2.gz INYNYPVBDSEWRH-UHFFFAOYSA-N 1 2 336.370 3.669 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC001193796989 1135185693 /nfs/dbraw/zinc/18/56/93/1135185693.db2.gz JHEKTMBGRCOHQT-OAQYLSRUSA-N 1 2 340.442 3.524 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC001193796989 1135185696 /nfs/dbraw/zinc/18/56/96/1135185696.db2.gz JHEKTMBGRCOHQT-OAQYLSRUSA-N 1 2 340.442 3.524 20 0 EHADLO CC(C)COC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001193862755 1135197961 /nfs/dbraw/zinc/19/79/61/1135197961.db2.gz CMJQBIVOKCPDCY-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO Cc1nc(C[N@@H+]2CCSC(C)(C)CC2)sc1Br ZINC001193954147 1135205371 /nfs/dbraw/zinc/20/53/71/1135205371.db2.gz IGMUPGABCCCVKX-UHFFFAOYSA-N 1 2 335.336 3.932 20 0 EHADLO Cc1nc(C[N@H+]2CCSC(C)(C)CC2)sc1Br ZINC001193954147 1135205377 /nfs/dbraw/zinc/20/53/77/1135205377.db2.gz IGMUPGABCCCVKX-UHFFFAOYSA-N 1 2 335.336 3.932 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(Br)c2F)cc(C)[nH+]1 ZINC001130043550 1135225877 /nfs/dbraw/zinc/22/58/77/1135225877.db2.gz SPXPXJXMFPHPIR-UHFFFAOYSA-N 1 2 337.192 3.530 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Oc1ccc(Cl)cc1 ZINC001194080266 1135226730 /nfs/dbraw/zinc/22/67/30/1135226730.db2.gz APDZNFYHECJWDV-UHFFFAOYSA-N 1 2 341.798 3.873 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC001194466132 1135270907 /nfs/dbraw/zinc/27/09/07/1135270907.db2.gz AZDDTRKFSBFHDM-RYUDHWBXSA-N 1 2 328.815 3.703 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC001194466132 1135270910 /nfs/dbraw/zinc/27/09/10/1135270910.db2.gz AZDDTRKFSBFHDM-RYUDHWBXSA-N 1 2 328.815 3.703 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC001194723842 1135312980 /nfs/dbraw/zinc/31/29/80/1135312980.db2.gz MJRCZDNFCQKEBH-UHFFFAOYSA-N 1 2 345.443 3.602 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)CO1 ZINC000775609246 1135314096 /nfs/dbraw/zinc/31/40/96/1135314096.db2.gz UGIVRZZQVDKHNX-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@H](c2ccccc2)CO1 ZINC000775609246 1135314104 /nfs/dbraw/zinc/31/41/04/1135314104.db2.gz UGIVRZZQVDKHNX-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO CCc1ccccc1OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805848988 1135338958 /nfs/dbraw/zinc/33/89/58/1135338958.db2.gz XEQNOIUGZMKESK-UHFFFAOYSA-N 1 2 344.480 3.832 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)OCc1cccc2[nH+]ccn21 ZINC000805899358 1135346002 /nfs/dbraw/zinc/34/60/02/1135346002.db2.gz SACRETUVPMYXSW-OAHLLOKOSA-N 1 2 345.402 3.805 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(Cl)n1 ZINC000101665758 1135370566 /nfs/dbraw/zinc/37/05/66/1135370566.db2.gz MKRPWLAPOCIBSF-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO NC(=[NH2+])N(C(=O)c1cc(Cl)c(Cl)s1)c1ccccc1F ZINC001195179894 1135378678 /nfs/dbraw/zinc/37/86/78/1135378678.db2.gz QIOFMMAZZJRPBQ-UHFFFAOYSA-N 1 2 332.187 3.734 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000775641894 1135381293 /nfs/dbraw/zinc/38/12/93/1135381293.db2.gz LIKQJXGBVPYVQY-QMMMGPOBSA-N 1 2 348.166 3.710 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000775641894 1135381297 /nfs/dbraw/zinc/38/12/97/1135381297.db2.gz LIKQJXGBVPYVQY-QMMMGPOBSA-N 1 2 348.166 3.710 20 0 EHADLO CC[C@H](C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001195152710 1135381986 /nfs/dbraw/zinc/38/19/86/1135381986.db2.gz XWSTWGLLXXOKII-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806129803 1135396332 /nfs/dbraw/zinc/39/63/32/1135396332.db2.gz JZYCSKDNTMLNRU-SJLPKXTDSA-N 1 2 338.842 3.835 20 0 EHADLO CC[N@H+](CCOc1ccccc1C)[C@@H](C(=O)OC)c1ccccc1 ZINC001195322754 1135405356 /nfs/dbraw/zinc/40/53/56/1135405356.db2.gz GLVWCHPLFDMYAN-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](CCOc1ccccc1C)[C@@H](C(=O)OC)c1ccccc1 ZINC001195322754 1135405360 /nfs/dbraw/zinc/40/53/60/1135405360.db2.gz GLVWCHPLFDMYAN-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C[C@H](CC)O1 ZINC001195300790 1135408910 /nfs/dbraw/zinc/40/89/10/1135408910.db2.gz VNZBNGYQLGTCOX-RWQQGDIJSA-N 1 2 344.499 3.632 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C[C@H](CC)O1 ZINC001195300790 1135408913 /nfs/dbraw/zinc/40/89/13/1135408913.db2.gz VNZBNGYQLGTCOX-RWQQGDIJSA-N 1 2 344.499 3.632 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccc(F)cc1F ZINC000775651940 1135422913 /nfs/dbraw/zinc/42/29/13/1135422913.db2.gz CITLCLPZFPGAGX-IBGZPJMESA-N 1 2 342.393 3.846 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1nccc(Cl)c1Cl ZINC001195456087 1135425693 /nfs/dbraw/zinc/42/56/93/1135425693.db2.gz CKWLKJKDVUHRCX-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc(F)ccc1F ZINC001195595296 1135439964 /nfs/dbraw/zinc/43/99/64/1135439964.db2.gz AQCZKDBKEUEZOC-UHFFFAOYSA-N 1 2 327.277 3.918 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc(F)ccc1F ZINC001195595296 1135439966 /nfs/dbraw/zinc/43/99/66/1135439966.db2.gz AQCZKDBKEUEZOC-UHFFFAOYSA-N 1 2 327.277 3.918 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C1CCC1 ZINC001195638938 1135445471 /nfs/dbraw/zinc/44/54/71/1135445471.db2.gz QIJNKSNTFCLDRF-MRXNPFEDSA-N 1 2 339.863 3.570 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C1CCC1 ZINC001195638938 1135445473 /nfs/dbraw/zinc/44/54/73/1135445473.db2.gz QIJNKSNTFCLDRF-MRXNPFEDSA-N 1 2 339.863 3.570 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669884 1135464445 /nfs/dbraw/zinc/46/44/45/1135464445.db2.gz SHILBXKGPTTWOT-DZGCQCFKSA-N 1 2 344.842 3.611 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669884 1135464448 /nfs/dbraw/zinc/46/44/48/1135464448.db2.gz SHILBXKGPTTWOT-DZGCQCFKSA-N 1 2 344.842 3.611 20 0 EHADLO C[N@H+](Cc1nc([C@H]2CCSc3ccccc32)no1)[C@@H]1CCSC1 ZINC000867149528 1135501934 /nfs/dbraw/zinc/50/19/34/1135501934.db2.gz YYNHAALISHJBID-OCCSQVGLSA-N 1 2 347.509 3.635 20 0 EHADLO C[N@@H+](Cc1nc([C@H]2CCSc3ccccc32)no1)[C@@H]1CCSC1 ZINC000867149528 1135501943 /nfs/dbraw/zinc/50/19/43/1135501943.db2.gz YYNHAALISHJBID-OCCSQVGLSA-N 1 2 347.509 3.635 20 0 EHADLO C[N@H+](Cc1nc([C@H]2CCSc3ccccc32)no1)[C@H]1CCSC1 ZINC000867149527 1135502104 /nfs/dbraw/zinc/50/21/04/1135502104.db2.gz YYNHAALISHJBID-JSGCOSHPSA-N 1 2 347.509 3.635 20 0 EHADLO C[N@@H+](Cc1nc([C@H]2CCSc3ccccc32)no1)[C@H]1CCSC1 ZINC000867149527 1135502108 /nfs/dbraw/zinc/50/21/08/1135502108.db2.gz YYNHAALISHJBID-JSGCOSHPSA-N 1 2 347.509 3.635 20 0 EHADLO O=C(NC1CCCCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000807169368 1135523938 /nfs/dbraw/zinc/52/39/38/1135523938.db2.gz CCUYRTZYLMGTSI-UHFFFAOYSA-N 1 2 335.517 3.688 20 0 EHADLO O=C(C[NH2+][C@@H](C(F)F)C1CCCCC1)N(C1CC1)C1CCCC1 ZINC001196263674 1135537493 /nfs/dbraw/zinc/53/74/93/1135537493.db2.gz QTRCEJYDSKRUEQ-QGZVFWFLSA-N 1 2 328.447 3.724 20 0 EHADLO CCOC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196314812 1135541704 /nfs/dbraw/zinc/54/17/04/1135541704.db2.gz XNDXCMMVNRFDRV-MRXNPFEDSA-N 1 2 329.362 3.666 20 0 EHADLO CCOC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196314812 1135541709 /nfs/dbraw/zinc/54/17/09/1135541709.db2.gz XNDXCMMVNRFDRV-MRXNPFEDSA-N 1 2 329.362 3.666 20 0 EHADLO C[C@@H](CNC(=O)c1ccc2c(c1)-c1ccccc1C2)Cn1cc[nH+]c1 ZINC000747400154 1135546285 /nfs/dbraw/zinc/54/62/85/1135546285.db2.gz HDUWOFJEKCXQKV-HNNXBMFYSA-N 1 2 331.419 3.520 20 0 EHADLO C/C(=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184413 1135584884 /nfs/dbraw/zinc/58/48/84/1135584884.db2.gz YXNCHJDCNHCYIO-RXBGNRNISA-N 1 2 339.439 3.765 20 0 EHADLO C/C(=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184413 1135584888 /nfs/dbraw/zinc/58/48/88/1135584888.db2.gz YXNCHJDCNHCYIO-RXBGNRNISA-N 1 2 339.439 3.765 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@H]3CC=CCC3)n2)C1 ZINC000867188652 1135588498 /nfs/dbraw/zinc/58/84/98/1135588498.db2.gz YRJAQPHMAMPJSE-FUHWJXTLSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@H]3CC=CCC3)n2)C1 ZINC000867188652 1135588503 /nfs/dbraw/zinc/58/85/03/1135588503.db2.gz YRJAQPHMAMPJSE-FUHWJXTLSA-N 1 2 339.439 3.775 20 0 EHADLO OC1CCN(c2ccc(NC3=CC[C@@H](C(F)(F)F)CC3)c[nH+]2)CC1 ZINC001196768571 1135604529 /nfs/dbraw/zinc/60/45/29/1135604529.db2.gz SCEPAXLECVBYON-GFCCVEGCSA-N 1 2 341.377 3.701 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001196736028 1135604992 /nfs/dbraw/zinc/60/49/92/1135604992.db2.gz JNKHODMXRIWDLH-FPOVZHCZSA-N 1 2 337.463 3.871 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2Cc3ccccc3[C@H]2C)c1=S ZINC000747464223 1135628298 /nfs/dbraw/zinc/62/82/98/1135628298.db2.gz UZICCDQDGDRYMZ-OAHLLOKOSA-N 1 2 331.485 3.817 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2Cc3ccccc3[C@H]2C)c1=S ZINC000747464223 1135628302 /nfs/dbraw/zinc/62/83/02/1135628302.db2.gz UZICCDQDGDRYMZ-OAHLLOKOSA-N 1 2 331.485 3.817 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808226787 1135633290 /nfs/dbraw/zinc/63/32/90/1135633290.db2.gz IOBDPNQTMCBTSO-CQSZACIVSA-N 1 2 346.475 3.837 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808226787 1135633291 /nfs/dbraw/zinc/63/32/91/1135633291.db2.gz IOBDPNQTMCBTSO-CQSZACIVSA-N 1 2 346.475 3.837 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1Cc1ccccc1 ZINC000808230671 1135633322 /nfs/dbraw/zinc/63/33/22/1135633322.db2.gz NJCKNKBIBXWRMV-GOSISDBHSA-N 1 2 342.512 3.850 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1Cc1ccccc1 ZINC000808230671 1135633323 /nfs/dbraw/zinc/63/33/23/1135633323.db2.gz NJCKNKBIBXWRMV-GOSISDBHSA-N 1 2 342.512 3.850 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCC[C@H]3CC3CCC3)[nH+]c12 ZINC001131311884 1135673537 /nfs/dbraw/zinc/67/35/37/1135673537.db2.gz IAESQQVHBDRHMG-SFHVURJKSA-N 1 2 325.456 3.757 20 0 EHADLO Cc1cc(N[C@]2(C)CCS(=O)(=O)C2)[nH+]c2c1cccc2C(C)C ZINC001170555460 1135691514 /nfs/dbraw/zinc/69/15/14/1135691514.db2.gz HLUUBNQGQLLUAZ-GOSISDBHSA-N 1 2 332.469 3.656 20 0 EHADLO Cc1ccc(NC(=S)NCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001197945725 1135756112 /nfs/dbraw/zinc/75/61/12/1135756112.db2.gz RHEQBCKICRTOLQ-UHFFFAOYSA-N 1 2 340.496 3.593 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1c(F)cccc1F ZINC001197979295 1135763255 /nfs/dbraw/zinc/76/32/55/1135763255.db2.gz WXHRYSAXRQKEEN-BZNIZROVSA-N 1 2 334.341 3.560 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1CC[C@H]1CCC[C@@H](C)C1 ZINC001198387344 1135808068 /nfs/dbraw/zinc/80/80/68/1135808068.db2.gz HXKNQBMMQRISSS-MDZRGWNJSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1CC[C@H]1CCC[C@@H](C)C1 ZINC001198387344 1135808075 /nfs/dbraw/zinc/80/80/75/1135808075.db2.gz HXKNQBMMQRISSS-MDZRGWNJSA-N 1 2 331.456 3.812 20 0 EHADLO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC001198429877 1135813936 /nfs/dbraw/zinc/81/39/36/1135813936.db2.gz OCQXXNHGGZWNMW-GFCCVEGCSA-N 1 2 325.250 3.652 20 0 EHADLO CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC001198429877 1135813940 /nfs/dbraw/zinc/81/39/40/1135813940.db2.gz OCQXXNHGGZWNMW-GFCCVEGCSA-N 1 2 325.250 3.652 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H]2CCC(C)(C)CO2)CCCCC1 ZINC001198491839 1135823085 /nfs/dbraw/zinc/82/30/85/1135823085.db2.gz VRAXICKNVOIESD-HNNXBMFYSA-N 1 2 325.493 3.826 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@@H+]1CC[C@@H]1CCC[C@@H](C)C1 ZINC001198676300 1135846710 /nfs/dbraw/zinc/84/67/10/1135846710.db2.gz MJQCEOUYVBNIBB-VCBZYWHSSA-N 1 2 331.456 3.508 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@H+]1CC[C@@H]1CCC[C@@H](C)C1 ZINC001198676300 1135846714 /nfs/dbraw/zinc/84/67/14/1135846714.db2.gz MJQCEOUYVBNIBB-VCBZYWHSSA-N 1 2 331.456 3.508 20 0 EHADLO COc1ncc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)cc1Cl ZINC001198708044 1135851197 /nfs/dbraw/zinc/85/11/97/1135851197.db2.gz WBFOPOPBEPDKDO-QGZVFWFLSA-N 1 2 332.831 3.707 20 0 EHADLO COc1ncc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)cc1Cl ZINC001198708044 1135851202 /nfs/dbraw/zinc/85/12/02/1135851202.db2.gz WBFOPOPBEPDKDO-QGZVFWFLSA-N 1 2 332.831 3.707 20 0 EHADLO Fc1cncc(Br)c1C[NH2+]Cc1ccccc1Cl ZINC001198959277 1135869606 /nfs/dbraw/zinc/86/96/06/1135869606.db2.gz MJJHPLMZJGNFSK-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1nc2ccccc2s1 ZINC000809620251 1135858410 /nfs/dbraw/zinc/85/84/10/1135858410.db2.gz GCUWFRGUJPDRPF-SNVBAGLBSA-N 1 2 347.465 3.649 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000809778995 1135890511 /nfs/dbraw/zinc/89/05/11/1135890511.db2.gz AHYYFCRKKDVLDN-LBPRGKRZSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000809778995 1135890514 /nfs/dbraw/zinc/89/05/14/1135890514.db2.gz AHYYFCRKKDVLDN-LBPRGKRZSA-N 1 2 348.340 3.555 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)nn1C ZINC001199286646 1135892244 /nfs/dbraw/zinc/89/22/44/1135892244.db2.gz RVSWJFVSPBQBMY-UHFFFAOYSA-N 1 2 338.436 3.888 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC001199309544 1135894926 /nfs/dbraw/zinc/89/49/26/1135894926.db2.gz JXZXZSSKYKEWBT-CQSZACIVSA-N 1 2 343.471 3.790 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129466 1135924940 /nfs/dbraw/zinc/92/49/40/1135924940.db2.gz FWCJLJDWNCHGTL-HUUCEWRRSA-N 1 2 327.428 3.912 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)s1 ZINC000810128192 1135925184 /nfs/dbraw/zinc/92/51/84/1135925184.db2.gz JYSPBWZHZTZGCB-STQMWFEESA-N 1 2 344.484 3.775 20 0 EHADLO S=C(Nc1ccc(Cn2cc[nH+]c2)cc1)NC1CCCCCC1 ZINC001199967384 1135941727 /nfs/dbraw/zinc/94/17/27/1135941727.db2.gz CSFSJZMCRODGEF-UHFFFAOYSA-N 1 2 328.485 3.941 20 0 EHADLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CCCCCC1 ZINC001199976200 1135942988 /nfs/dbraw/zinc/94/29/88/1135942988.db2.gz OMZMLNBBGQCVNQ-UHFFFAOYSA-N 1 2 328.485 3.559 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)s1 ZINC000810260772 1135944656 /nfs/dbraw/zinc/94/46/56/1135944656.db2.gz PACXRDWGLDETKO-SNVBAGLBSA-N 1 2 325.865 3.922 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2cccnc2Cl)c1 ZINC000105421190 1135946655 /nfs/dbraw/zinc/94/66/55/1135946655.db2.gz KNTUVMLGJVHDQR-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)Nc1cccc(Cl)c1 ZINC001201112938 1135984283 /nfs/dbraw/zinc/98/42/83/1135984283.db2.gz GOHFFQQOYDOMIC-UHFFFAOYSA-N 1 2 334.876 3.823 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)NCc1[nH+]cc(C)c(OC)c1C ZINC000747618384 1135984314 /nfs/dbraw/zinc/98/43/14/1135984314.db2.gz ARAWQWDBLZJKMY-OAHLLOKOSA-N 1 2 337.533 3.888 20 0 EHADLO Cc1cccc(CCCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000810666516 1135991081 /nfs/dbraw/zinc/99/10/81/1135991081.db2.gz RBCBKUNUKFYKMD-UHFFFAOYSA-N 1 2 348.446 3.958 20 0 EHADLO Cc1ccsc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810657974 1135994732 /nfs/dbraw/zinc/99/47/32/1135994732.db2.gz BQWBDPDIMZQNHB-UHFFFAOYSA-N 1 2 326.421 3.587 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cccc(Nc3ccc(N)[nH+]c3)c21 ZINC001201284152 1136000153 /nfs/dbraw/zinc/00/01/53/1136000153.db2.gz KOELHOXAHSUAGM-UHFFFAOYSA-N 1 2 326.400 3.705 20 0 EHADLO CC(C)(C)OC(=O)N1Cc2cccc(Nc3ccc(N)[nH+]c3)c2C1 ZINC001201291858 1136001576 /nfs/dbraw/zinc/00/15/76/1136001576.db2.gz GFCZMBCXIBFMCR-UHFFFAOYSA-N 1 2 326.400 3.658 20 0 EHADLO Nc1ccc(Nc2ccc(Cl)c(C(=O)NCc3ccco3)c2)c[nH+]1 ZINC001201291491 1136001597 /nfs/dbraw/zinc/00/15/97/1136001597.db2.gz JDAYUIJTBCKPPH-UHFFFAOYSA-N 1 2 342.786 3.584 20 0 EHADLO CCOC(=O)c1c2c(sc1Nc1ccc(N)[nH+]c1)C[C@H](C)CC2 ZINC001201272430 1136002461 /nfs/dbraw/zinc/00/24/61/1136002461.db2.gz OGDYHMBOCBCJSG-SNVBAGLBSA-N 1 2 331.441 3.770 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(N)[nH+]c2)cc1C(F)(F)F ZINC001201294523 1136003600 /nfs/dbraw/zinc/00/36/00/1136003600.db2.gz CQCJXAIREYDCEP-UHFFFAOYSA-N 1 2 325.290 3.603 20 0 EHADLO CCOC(=O)c1c(-c2ccco2)csc1Nc1ccc(N)[nH+]c1 ZINC001201278297 1136003878 /nfs/dbraw/zinc/00/38/78/1136003878.db2.gz HJIAQKYSXWRLMU-UHFFFAOYSA-N 1 2 329.381 3.906 20 0 EHADLO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001137970063 1136005746 /nfs/dbraw/zinc/00/57/46/1136005746.db2.gz UBFQRFWLJWYZAE-CQSZACIVSA-N 1 2 340.414 3.714 20 0 EHADLO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001137970063 1136005749 /nfs/dbraw/zinc/00/57/49/1136005749.db2.gz UBFQRFWLJWYZAE-CQSZACIVSA-N 1 2 340.414 3.714 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001201519545 1136037332 /nfs/dbraw/zinc/03/73/32/1136037332.db2.gz RBMUOMYLUMZKKN-UHFFFAOYSA-N 1 2 332.766 3.572 20 0 EHADLO c1nn(CC2CCC2)cc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001201566260 1136041173 /nfs/dbraw/zinc/04/11/73/1136041173.db2.gz FTVJEKYAXBPNLC-UHFFFAOYSA-N 1 2 325.460 3.681 20 0 EHADLO CCC[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132589147 1136041542 /nfs/dbraw/zinc/04/15/42/1136041542.db2.gz FXTRJMKXOGXZAV-PZJWPPBQSA-N 1 2 346.515 3.528 20 0 EHADLO CCC[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132589147 1136041546 /nfs/dbraw/zinc/04/15/46/1136041546.db2.gz FXTRJMKXOGXZAV-PZJWPPBQSA-N 1 2 346.515 3.528 20 0 EHADLO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001132624332 1136046957 /nfs/dbraw/zinc/04/69/57/1136046957.db2.gz WENBXGQXUYSLRS-HXUWFJFHSA-N 1 2 349.409 3.599 20 0 EHADLO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001132624332 1136046959 /nfs/dbraw/zinc/04/69/59/1136046959.db2.gz WENBXGQXUYSLRS-HXUWFJFHSA-N 1 2 349.409 3.599 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccc(Cl)cc2)c1C ZINC000747675061 1136049753 /nfs/dbraw/zinc/04/97/53/1136049753.db2.gz HIGQPGPOYRHZAK-TWGQIWQCSA-N 1 2 330.815 3.690 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1C(F)(F)F ZINC000811442149 1136087375 /nfs/dbraw/zinc/08/73/75/1136087375.db2.gz DWKSCOCTPKXFCQ-UHFFFAOYSA-N 1 2 336.269 3.841 20 0 EHADLO Cc1ccc2cc(C[NH+]3CC(O)(c4ccc(Cl)cc4)C3)ccc2n1 ZINC000811508698 1136102474 /nfs/dbraw/zinc/10/24/74/1136102474.db2.gz CTFLIZYAYSGASA-UHFFFAOYSA-N 1 2 338.838 3.900 20 0 EHADLO O=C(Nc1cccc(Cl)c1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202240497 1136118921 /nfs/dbraw/zinc/11/89/21/1136118921.db2.gz DKYGXBJAEYBJEC-UHFFFAOYSA-N 1 2 331.803 3.810 20 0 EHADLO Fc1ccc(N2CC[NH+](CCC(F)(F)F)CC2)c(F)c1Cl ZINC001202283179 1136122718 /nfs/dbraw/zinc/12/27/18/1136122718.db2.gz IRUMQGWQMDUOMX-UHFFFAOYSA-N 1 2 328.712 3.693 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000811744585 1136128777 /nfs/dbraw/zinc/12/87/77/1136128777.db2.gz AISVBIXERXOKIJ-LBPRGKRZSA-N 1 2 344.406 3.942 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000811744585 1136128779 /nfs/dbraw/zinc/12/87/79/1136128779.db2.gz AISVBIXERXOKIJ-LBPRGKRZSA-N 1 2 344.406 3.942 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000811743841 1136129006 /nfs/dbraw/zinc/12/90/06/1136129006.db2.gz WCBUZBMQVLQNCK-HNNXBMFYSA-N 1 2 339.361 3.631 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000811743841 1136129010 /nfs/dbraw/zinc/12/90/10/1136129010.db2.gz WCBUZBMQVLQNCK-HNNXBMFYSA-N 1 2 339.361 3.631 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC001202355007 1136132559 /nfs/dbraw/zinc/13/25/59/1136132559.db2.gz PNOYYHMJRGTDJD-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CCCc3ccc(F)cc32)c(N(C)C)[nH+]1 ZINC001202393937 1136141125 /nfs/dbraw/zinc/14/11/25/1136141125.db2.gz AABZRODWZLNTCS-MRXNPFEDSA-N 1 2 342.418 3.794 20 0 EHADLO CN(c1ccc(NC(=O)Cc2c[nH+]cn2C)cc1F)C1CCCCC1 ZINC000776339626 1136158426 /nfs/dbraw/zinc/15/84/26/1136158426.db2.gz AOKJJOCKMTYODG-UHFFFAOYSA-N 1 2 344.434 3.509 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000338914817 1136160438 /nfs/dbraw/zinc/16/04/38/1136160438.db2.gz CRVMOBZRRNZLIS-MRXNPFEDSA-N 1 2 329.465 3.686 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000338914817 1136160441 /nfs/dbraw/zinc/16/04/41/1136160441.db2.gz CRVMOBZRRNZLIS-MRXNPFEDSA-N 1 2 329.465 3.686 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C ZINC001170660235 1136172599 /nfs/dbraw/zinc/17/25/99/1136172599.db2.gz VJWVHRWETJGCEM-RHSMWYFYSA-N 1 2 339.426 3.778 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812282156 1136191172 /nfs/dbraw/zinc/19/11/72/1136191172.db2.gz ZPHPDZXDEXEWCE-CYBMUJFWSA-N 1 2 348.796 3.888 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812282156 1136191174 /nfs/dbraw/zinc/19/11/74/1136191174.db2.gz ZPHPDZXDEXEWCE-CYBMUJFWSA-N 1 2 348.796 3.888 20 0 EHADLO Cc1cc(N[C@@H](C)[C@H](O)c2cccc(O)c2)[nH+]cc1C(F)(F)F ZINC001170672652 1136191289 /nfs/dbraw/zinc/19/12/89/1136191289.db2.gz XISCEBFXNJVEAW-BONVTDFDSA-N 1 2 326.318 3.648 20 0 EHADLO CC[N@H+](Cn1ccn(-c2ccc(C)c(C)c2)c1=S)[C@H]1CCOC1 ZINC000812298768 1136196461 /nfs/dbraw/zinc/19/64/61/1136196461.db2.gz RZFPYBHMHKLWMP-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2ccc(C)c(C)c2)c1=S)[C@H]1CCOC1 ZINC000812298768 1136196463 /nfs/dbraw/zinc/19/64/63/1136196463.db2.gz RZFPYBHMHKLWMP-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO Clc1ccc2c(c1Cl)OCC[C@H]2[NH2+]Cc1cc2n(n1)CCC2 ZINC000850276141 1136229933 /nfs/dbraw/zinc/22/99/33/1136229933.db2.gz XFDMSKFMLHPWCI-CQSZACIVSA-N 1 2 338.238 3.750 20 0 EHADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OCCCn1cc[nH+]c1 ZINC000812646949 1136232284 /nfs/dbraw/zinc/23/22/84/1136232284.db2.gz QYUJXSWURPBUNB-MRXNPFEDSA-N 1 2 336.819 3.573 20 0 EHADLO COc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)ccc1OCCC(C)C ZINC000850352459 1136239500 /nfs/dbraw/zinc/23/95/00/1136239500.db2.gz XEGRJTAOBWRNHZ-GDBMZVCRSA-N 1 2 344.459 3.507 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365691 1136241885 /nfs/dbraw/zinc/24/18/85/1136241885.db2.gz ZARUPANZZYSOKV-UHFFFAOYSA-N 1 2 337.826 3.606 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001133454104 1136252790 /nfs/dbraw/zinc/25/27/90/1136252790.db2.gz VSTZEIPVBNDZGJ-PKOBYXMFSA-N 1 2 337.467 3.641 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)CCCO2 ZINC000850443890 1136259756 /nfs/dbraw/zinc/25/97/56/1136259756.db2.gz OTFIFKHXOUMCSI-SJCJKPOMSA-N 1 2 333.378 3.674 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000850457461 1136263245 /nfs/dbraw/zinc/26/32/45/1136263245.db2.gz MEZPQKHMBIKZRU-HZPDHXFCSA-N 1 2 348.487 3.692 20 0 EHADLO Cc1ccsc1CCCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832977 1136282898 /nfs/dbraw/zinc/28/28/98/1136282898.db2.gz QNTHPVXCVZYLQK-MRXNPFEDSA-N 1 2 333.501 3.807 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC001170697072 1136288961 /nfs/dbraw/zinc/28/89/61/1136288961.db2.gz CFZYXPJJZSNSLJ-CTYIDZIISA-N 1 2 347.459 3.595 20 0 EHADLO COc1ccnc([C@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000925486984 1136309980 /nfs/dbraw/zinc/30/99/80/1136309980.db2.gz VEISWZKGPUDFCE-JTQLQIEISA-N 1 2 326.318 3.682 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(Br)c(Cl)c1 ZINC001133682293 1136311993 /nfs/dbraw/zinc/31/19/93/1136311993.db2.gz SEXVKUKAEMQDJS-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO CC(C)Cc1coc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC001133922219 1136362261 /nfs/dbraw/zinc/36/22/61/1136362261.db2.gz LWDUPNMYHCMHCO-OAHLLOKOSA-N 1 2 335.835 3.768 20 0 EHADLO C[C@@H](O)C[N@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000776521523 1136363430 /nfs/dbraw/zinc/36/34/30/1136363430.db2.gz RKEWLZXLPJGNJT-CYBMUJFWSA-N 1 2 335.879 3.636 20 0 EHADLO C[C@@H](O)C[N@@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000776521523 1136363434 /nfs/dbraw/zinc/36/34/34/1136363434.db2.gz RKEWLZXLPJGNJT-CYBMUJFWSA-N 1 2 335.879 3.636 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc(CF)cc1 ZINC000851402436 1136377322 /nfs/dbraw/zinc/37/73/22/1136377322.db2.gz XEXBGMQBVWZKCL-UHFFFAOYSA-N 1 2 328.387 3.625 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000814180440 1136410049 /nfs/dbraw/zinc/41/00/49/1136410049.db2.gz OJAGPHIHWXNWAD-LBPRGKRZSA-N 1 2 346.652 3.628 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000814180440 1136410052 /nfs/dbraw/zinc/41/00/52/1136410052.db2.gz OJAGPHIHWXNWAD-LBPRGKRZSA-N 1 2 346.652 3.628 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839384 1136412509 /nfs/dbraw/zinc/41/25/09/1136412509.db2.gz PQEBZAWPFCJGRN-CHWSQXEVSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839384 1136412511 /nfs/dbraw/zinc/41/25/11/1136412511.db2.gz PQEBZAWPFCJGRN-CHWSQXEVSA-N 1 2 349.272 3.856 20 0 EHADLO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000851910751 1136419107 /nfs/dbraw/zinc/41/91/07/1136419107.db2.gz RCYLTLTVPKQGBE-OAHLLOKOSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000851910751 1136419110 /nfs/dbraw/zinc/41/91/10/1136419110.db2.gz RCYLTLTVPKQGBE-OAHLLOKOSA-N 1 2 343.450 3.766 20 0 EHADLO O=C1CC[C@@H](C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944052 1136422152 /nfs/dbraw/zinc/42/21/52/1136422152.db2.gz JFEDLORUXONPHV-KBPBESRZSA-N 1 2 345.386 3.501 20 0 EHADLO O=C1CC[C@@H](C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944052 1136422154 /nfs/dbraw/zinc/42/21/54/1136422154.db2.gz JFEDLORUXONPHV-KBPBESRZSA-N 1 2 345.386 3.501 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)n1 ZINC000851951402 1136422196 /nfs/dbraw/zinc/42/21/96/1136422196.db2.gz MUJMSAANMMTFJJ-KBMXLJTQSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)n1 ZINC000851951402 1136422197 /nfs/dbraw/zinc/42/21/97/1136422197.db2.gz MUJMSAANMMTFJJ-KBMXLJTQSA-N 1 2 334.435 3.696 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000814226206 1136425669 /nfs/dbraw/zinc/42/56/69/1136425669.db2.gz RGXZCDAGWMQWOO-KRWDZBQOSA-N 1 2 342.512 3.978 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000814226206 1136425670 /nfs/dbraw/zinc/42/56/70/1136425670.db2.gz RGXZCDAGWMQWOO-KRWDZBQOSA-N 1 2 342.512 3.978 20 0 EHADLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170736670 1136428708 /nfs/dbraw/zinc/42/87/08/1136428708.db2.gz BWAGKUGIEMHGDA-HAGHYFMRSA-N 1 2 337.463 3.948 20 0 EHADLO CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H](C)C(=O)OC(C)(C)C ZINC000852305962 1136446498 /nfs/dbraw/zinc/44/64/98/1136446498.db2.gz HUMMBKIUCYLGBE-UKRRQHHQSA-N 1 2 333.428 3.518 20 0 EHADLO CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H](C)C(=O)OC(C)(C)C ZINC000852305962 1136446499 /nfs/dbraw/zinc/44/64/99/1136446499.db2.gz HUMMBKIUCYLGBE-UKRRQHHQSA-N 1 2 333.428 3.518 20 0 EHADLO Cc1ccc(C[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(C)n1 ZINC000852336534 1136450730 /nfs/dbraw/zinc/45/07/30/1136450730.db2.gz XAQXPOGHHREQLU-UHFFFAOYSA-N 1 2 349.356 3.715 20 0 EHADLO Cc1ccc(C[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(C)n1 ZINC000852336534 1136450732 /nfs/dbraw/zinc/45/07/32/1136450732.db2.gz XAQXPOGHHREQLU-UHFFFAOYSA-N 1 2 349.356 3.715 20 0 EHADLO O=C1O[C@H](C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2 ZINC000852406591 1136454119 /nfs/dbraw/zinc/45/41/19/1136454119.db2.gz QPJJNSCNBNISAH-LBPRGKRZSA-N 1 2 340.250 3.837 20 0 EHADLO O=C1O[C@H](C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2 ZINC000852406591 1136454122 /nfs/dbraw/zinc/45/41/22/1136454122.db2.gz QPJJNSCNBNISAH-LBPRGKRZSA-N 1 2 340.250 3.837 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852442974 1136456654 /nfs/dbraw/zinc/45/66/54/1136456654.db2.gz JBNOIPRVYOICBH-GFCCVEGCSA-N 1 2 327.346 3.575 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852442974 1136456656 /nfs/dbraw/zinc/45/66/56/1136456656.db2.gz JBNOIPRVYOICBH-GFCCVEGCSA-N 1 2 327.346 3.575 20 0 EHADLO Cc1ccc(Br)c(C)c1C(=O)OCCCn1cc[nH+]c1 ZINC000814500228 1136466746 /nfs/dbraw/zinc/46/67/46/1136466746.db2.gz FGJZLVRFQBTIGT-UHFFFAOYSA-N 1 2 337.217 3.510 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)CC1=CCSC1 ZINC000852747613 1136483318 /nfs/dbraw/zinc/48/33/18/1136483318.db2.gz PYYOVDQBUCMXEP-UHFFFAOYSA-N 1 2 333.888 3.939 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)CC1=CCSC1 ZINC000852747613 1136483320 /nfs/dbraw/zinc/48/33/20/1136483320.db2.gz PYYOVDQBUCMXEP-UHFFFAOYSA-N 1 2 333.888 3.939 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC([C@H](O)c2ccccc2)CC1 ZINC000853126040 1136512331 /nfs/dbraw/zinc/51/23/31/1136512331.db2.gz GMNVLKPQJORWHB-HXUWFJFHSA-N 1 2 333.435 3.767 20 0 EHADLO Cc1nc(NCc2ccc([C@@H](C)O)cc2)c(Br)c(C)[nH+]1 ZINC000853229254 1136519887 /nfs/dbraw/zinc/51/98/87/1136519887.db2.gz KHSYMVOFZVSTNP-SNVBAGLBSA-N 1 2 336.233 3.521 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cn1ncc2ccccc2c1=O ZINC000853521664 1136540406 /nfs/dbraw/zinc/54/04/06/1136540406.db2.gz FCKAGPHAJFUADT-LJQANCHMSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cn1ncc2ccccc2c1=O ZINC000853521664 1136540408 /nfs/dbraw/zinc/54/04/08/1136540408.db2.gz FCKAGPHAJFUADT-LJQANCHMSA-N 1 2 333.435 3.808 20 0 EHADLO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)CN2C(=O)CC23CCCC3)CO1 ZINC000853531093 1136541573 /nfs/dbraw/zinc/54/15/73/1136541573.db2.gz MAURUXQOLJZDEY-GOSISDBHSA-N 1 2 342.483 3.559 20 0 EHADLO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)CN2C(=O)CC23CCCC3)CO1 ZINC000853531093 1136541575 /nfs/dbraw/zinc/54/15/75/1136541575.db2.gz MAURUXQOLJZDEY-GOSISDBHSA-N 1 2 342.483 3.559 20 0 EHADLO CC1(C)CCC(=O)N1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000853547615 1136543306 /nfs/dbraw/zinc/54/33/06/1136543306.db2.gz VROCFARXQLSSCJ-UHFFFAOYSA-N 1 2 341.480 3.527 20 0 EHADLO CC1(C)CCC(=O)N1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000853547615 1136543308 /nfs/dbraw/zinc/54/33/08/1136543308.db2.gz VROCFARXQLSSCJ-UHFFFAOYSA-N 1 2 341.480 3.527 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853610440 1136548715 /nfs/dbraw/zinc/54/87/15/1136548715.db2.gz RDOJHEFTQZFHGU-LBPRGKRZSA-N 1 2 338.427 3.508 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853610440 1136548717 /nfs/dbraw/zinc/54/87/17/1136548717.db2.gz RDOJHEFTQZFHGU-LBPRGKRZSA-N 1 2 338.427 3.508 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000853610785 1136548721 /nfs/dbraw/zinc/54/87/21/1136548721.db2.gz UTNUALGYBACAIQ-QGZVFWFLSA-N 1 2 331.504 3.791 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000853610785 1136548722 /nfs/dbraw/zinc/54/87/22/1136548722.db2.gz UTNUALGYBACAIQ-QGZVFWFLSA-N 1 2 331.504 3.791 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(F)cc(F)cc1F)O[C@@H](C)C2 ZINC000815151620 1136557227 /nfs/dbraw/zinc/55/72/27/1136557227.db2.gz APKRNBUYRYPYSK-JTQLQIEISA-N 1 2 337.341 3.726 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000815151777 1136557398 /nfs/dbraw/zinc/55/73/98/1136557398.db2.gz CMHQSRCLUHPGSS-UHFFFAOYSA-N 1 2 329.325 3.851 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000815186714 1136563863 /nfs/dbraw/zinc/56/38/63/1136563863.db2.gz HAHOCIJAMBGOHO-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO CCc1ncc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)s1 ZINC000776692860 1136566365 /nfs/dbraw/zinc/56/63/65/1136566365.db2.gz DZLAQMDKTUMSBZ-QWHCGFSZSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)s1 ZINC000776692860 1136566368 /nfs/dbraw/zinc/56/63/68/1136566368.db2.gz DZLAQMDKTUMSBZ-QWHCGFSZSA-N 1 2 339.505 3.535 20 0 EHADLO CN(C)c1cc(CN2CCCc3c(OC(F)F)cccc32)cc[nH+]1 ZINC000815242750 1136576196 /nfs/dbraw/zinc/57/61/96/1136576196.db2.gz XSJHZTOPWHRZJH-UHFFFAOYSA-N 1 2 333.382 3.702 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000854042561 1136583100 /nfs/dbraw/zinc/58/31/00/1136583100.db2.gz PGVVTCDQEIKMMV-PMACEKPBSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000854042561 1136583102 /nfs/dbraw/zinc/58/31/02/1136583102.db2.gz PGVVTCDQEIKMMV-PMACEKPBSA-N 1 2 349.478 3.656 20 0 EHADLO CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001202490936 1136602188 /nfs/dbraw/zinc/60/21/88/1136602188.db2.gz PQCYDNYTYYRWPQ-UHFFFAOYSA-N 1 2 341.858 3.541 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000112200183 1136612047 /nfs/dbraw/zinc/61/20/47/1136612047.db2.gz MOYNVLLIROPKKN-UHFFFAOYSA-N 1 2 332.473 3.622 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000112200183 1136612049 /nfs/dbraw/zinc/61/20/49/1136612049.db2.gz MOYNVLLIROPKKN-UHFFFAOYSA-N 1 2 332.473 3.622 20 0 EHADLO CCc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)s1 ZINC000854412696 1136614353 /nfs/dbraw/zinc/61/43/53/1136614353.db2.gz SXUQZUJMDLUAMV-UHFFFAOYSA-N 1 2 349.525 3.545 20 0 EHADLO COCC1CC[NH+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000112331629 1136625935 /nfs/dbraw/zinc/62/59/35/1136625935.db2.gz OHZPXPJJDHXVPO-UHFFFAOYSA-N 1 2 341.427 3.883 20 0 EHADLO CC(Cl)(Cl)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816399040 1136709890 /nfs/dbraw/zinc/70/98/90/1136709890.db2.gz MCXBWVBKTSRINP-NSHDSACASA-N 1 2 344.286 3.625 20 0 EHADLO CC(Cl)(Cl)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816399040 1136709893 /nfs/dbraw/zinc/70/98/93/1136709893.db2.gz MCXBWVBKTSRINP-NSHDSACASA-N 1 2 344.286 3.625 20 0 EHADLO CCc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000816602270 1136740349 /nfs/dbraw/zinc/74/03/49/1136740349.db2.gz PHBGZOQNDNRYDZ-HDJSIYSDSA-N 1 2 329.469 3.859 20 0 EHADLO O=C(Nc1cnccc1Oc1ccccc1)c1cccc2[nH+]ccn21 ZINC000776867584 1136749520 /nfs/dbraw/zinc/74/95/20/1136749520.db2.gz JITLDZQIKSONNE-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1OC ZINC000817160672 1136783041 /nfs/dbraw/zinc/78/30/41/1136783041.db2.gz ZXSFARZSULGFND-QGZVFWFLSA-N 1 2 327.428 3.658 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)Cc1ccco1)Cc1ccccc1Cl ZINC000806441379 1136791225 /nfs/dbraw/zinc/79/12/25/1136791225.db2.gz IFDZQNHCECQKRR-CQSZACIVSA-N 1 2 334.847 3.502 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)Cc1ccco1)Cc1ccccc1Cl ZINC000806441379 1136791229 /nfs/dbraw/zinc/79/12/29/1136791229.db2.gz IFDZQNHCECQKRR-CQSZACIVSA-N 1 2 334.847 3.502 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817368876 1136800892 /nfs/dbraw/zinc/80/08/92/1136800892.db2.gz MYNFZBVUFUNXJS-HNNXBMFYSA-N 1 2 330.457 3.737 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817368876 1136800895 /nfs/dbraw/zinc/80/08/95/1136800895.db2.gz MYNFZBVUFUNXJS-HNNXBMFYSA-N 1 2 330.457 3.737 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000817365036 1136803330 /nfs/dbraw/zinc/80/33/30/1136803330.db2.gz MNDZKLHKKDYQSG-NEPJUHHUSA-N 1 2 348.434 3.657 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000817365036 1136803333 /nfs/dbraw/zinc/80/33/33/1136803333.db2.gz MNDZKLHKKDYQSG-NEPJUHHUSA-N 1 2 348.434 3.657 20 0 EHADLO COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000776895910 1136805241 /nfs/dbraw/zinc/80/52/41/1136805241.db2.gz IBPUDBYCHXHXNW-MRXNPFEDSA-N 1 2 335.407 3.710 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000856746183 1136806317 /nfs/dbraw/zinc/80/63/17/1136806317.db2.gz JMWOHLWRYNFQEN-SDNWHVSQSA-N 1 2 332.494 3.557 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C(F)(F)F)cnc2Cl)cc(C)[nH+]1 ZINC000817458665 1136808331 /nfs/dbraw/zinc/80/83/31/1136808331.db2.gz IUIXXQFPBGZFRI-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c(Cl)n1 ZINC000856787446 1136811433 /nfs/dbraw/zinc/81/14/33/1136811433.db2.gz CJJBAVNQOTYWJQ-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO C[C@@H]1SCCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1c1ccccc1 ZINC000776934766 1136863805 /nfs/dbraw/zinc/86/38/05/1136863805.db2.gz JBBLRAWIYRMVKK-KSSFIOAISA-N 1 2 337.448 3.653 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230648 1136868212 /nfs/dbraw/zinc/86/82/12/1136868212.db2.gz QVIWHSCGYWJQTB-PKOBYXMFSA-N 1 2 333.378 3.844 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)c(N(C)C)[nH+]1 ZINC000776956289 1136901354 /nfs/dbraw/zinc/90/13/54/1136901354.db2.gz PNTMXLBOPSSIJG-UHFFFAOYSA-N 1 2 344.484 3.929 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(Cl)cc2O)c1 ZINC000339008742 1136924699 /nfs/dbraw/zinc/92/46/99/1136924699.db2.gz MYQVSJLYJKQVRS-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857979828 1136926862 /nfs/dbraw/zinc/92/68/62/1136926862.db2.gz FVCUVJJYYHXMAR-IKGGRYGDSA-N 1 2 333.476 3.600 20 0 EHADLO O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989413 1136927937 /nfs/dbraw/zinc/92/79/37/1136927937.db2.gz HHXRECDIJGNCNS-LLVKDONJSA-N 1 2 342.251 3.543 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017344 1136932592 /nfs/dbraw/zinc/93/25/92/1136932592.db2.gz NQVBUGXYFJLHHH-WMLDXEAASA-N 1 2 346.471 3.532 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017344 1136932595 /nfs/dbraw/zinc/93/25/95/1136932595.db2.gz NQVBUGXYFJLHHH-WMLDXEAASA-N 1 2 346.471 3.532 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nn1)c1ccccc1OC ZINC000858095712 1136939285 /nfs/dbraw/zinc/93/92/85/1136939285.db2.gz SLSULUQTVACFRJ-SFHVURJKSA-N 1 2 340.402 3.656 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(F)cc1F ZINC000858140490 1136943170 /nfs/dbraw/zinc/94/31/70/1136943170.db2.gz CNZFXYLCHLAFLY-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[C@H]1c1ccccc1 ZINC001136233960 1136948521 /nfs/dbraw/zinc/94/85/21/1136948521.db2.gz NLOFPAYFIUIEED-FQEVSTJZSA-N 1 2 346.434 3.582 20 0 EHADLO Cc1ccccc1COc1c(C)cc(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000858198931 1136949007 /nfs/dbraw/zinc/94/90/07/1136949007.db2.gz SWVZCENDMRDQTC-UHFFFAOYSA-N 1 2 336.439 3.599 20 0 EHADLO Cc1csc(C[NH2+]Cc2cc(F)c(Br)cc2F)n1 ZINC000858272378 1136954768 /nfs/dbraw/zinc/95/47/68/1136954768.db2.gz CUMYAMRHQFVMNK-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccns2)nnn1-c1ccc(F)cc1 ZINC000858576831 1136980142 /nfs/dbraw/zinc/98/01/42/1136980142.db2.gz FQGUESPDZXJCTA-WDEREUQCSA-N 1 2 331.420 3.583 20 0 EHADLO Clc1cccc2c1C[C@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)CC2 ZINC001170945307 1136985708 /nfs/dbraw/zinc/98/57/08/1136985708.db2.gz VMBBGQUFKRAVQL-VQIMIIECSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1C[C@H]([N@H+]1CCOC[C@@H]1c1cccnc1)CC2 ZINC001170945307 1136985710 /nfs/dbraw/zinc/98/57/10/1136985710.db2.gz VMBBGQUFKRAVQL-VQIMIIECSA-N 1 2 328.843 3.666 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C(F)F)c1F ZINC000858727177 1136989009 /nfs/dbraw/zinc/98/90/09/1136989009.db2.gz DSVQNNMRSAXFMV-ZDUSSCGKSA-N 1 2 339.361 3.805 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000859181674 1137007015 /nfs/dbraw/zinc/00/70/15/1137007015.db2.gz SMCFFGISTIMAKO-AGLBCWCQSA-N 1 2 333.482 3.543 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2sccc2c(O)c1 ZINC001136394199 1137010975 /nfs/dbraw/zinc/01/09/75/1137010975.db2.gz HTSWFQDTWDRXGB-MRXNPFEDSA-N 1 2 343.452 3.648 20 0 EHADLO Cc1cccc2oc(C(=O)NCC[N@@H+]3CCc4sccc4C3)cc21 ZINC001136403694 1137013802 /nfs/dbraw/zinc/01/38/02/1137013802.db2.gz ZXEZJZOWHSDQQL-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO Cc1cccc2oc(C(=O)NCC[N@H+]3CCc4sccc4C3)cc21 ZINC001136403694 1137013804 /nfs/dbraw/zinc/01/38/04/1137013804.db2.gz ZXEZJZOWHSDQQL-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613696 1137022879 /nfs/dbraw/zinc/02/28/79/1137022879.db2.gz OHJVVZOLTWYJLA-PWSUYJOCSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613696 1137022881 /nfs/dbraw/zinc/02/28/81/1137022881.db2.gz OHJVVZOLTWYJLA-PWSUYJOCSA-N 1 2 330.881 3.596 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCO2)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136458537 1137030878 /nfs/dbraw/zinc/03/08/78/1137030878.db2.gz KJZIHUFNVIVRHD-UHFFFAOYSA-N 1 2 333.391 3.583 20 0 EHADLO CCc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)nc1 ZINC001136460496 1137031209 /nfs/dbraw/zinc/03/12/09/1137031209.db2.gz DNOJAHUGRGQRRO-UHFFFAOYSA-N 1 2 340.814 3.664 20 0 EHADLO CCc1ccc2c(C[N@@H+]3Cc4cccc(OC)c4C3)cc(=O)oc2c1 ZINC000859938399 1137037861 /nfs/dbraw/zinc/03/78/61/1137037861.db2.gz PGOHQSIBHUTLLV-UHFFFAOYSA-N 1 2 335.403 3.880 20 0 EHADLO CCc1ccc2c(C[N@H+]3Cc4cccc(OC)c4C3)cc(=O)oc2c1 ZINC000859938399 1137037862 /nfs/dbraw/zinc/03/78/62/1137037862.db2.gz PGOHQSIBHUTLLV-UHFFFAOYSA-N 1 2 335.403 3.880 20 0 EHADLO Cc1ccccc1[C@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136500712 1137038700 /nfs/dbraw/zinc/03/87/00/1137038700.db2.gz YEWJMLJGSJAWGC-IBGZPJMESA-N 1 2 345.446 3.739 20 0 EHADLO Cc1ccc(NC(=O)NCC(C)(C)CC(F)(F)F)c(N(C)C)[nH+]1 ZINC000822085470 1137049336 /nfs/dbraw/zinc/04/93/36/1137049336.db2.gz DDFAVIXGFVTDQN-UHFFFAOYSA-N 1 2 332.370 3.556 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000822701655 1137071049 /nfs/dbraw/zinc/07/10/49/1137071049.db2.gz DJPGUYLDJJVIOX-JTQLQIEISA-N 1 2 337.411 3.902 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)ccc1-n1cc[nH+]c1 ZINC001136624576 1137072804 /nfs/dbraw/zinc/07/28/04/1137072804.db2.gz AHOXMFBIFGFJRV-ZWKOTPCHSA-N 1 2 333.391 3.629 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cnn1C(C)(C)C ZINC001136625140 1137073107 /nfs/dbraw/zinc/07/31/07/1137073107.db2.gz ZGRTWKBCZXUWIE-UHFFFAOYSA-N 1 2 337.427 3.693 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](c2ccccn2)C2CCC2)c(N(C)C)[nH+]1 ZINC000860809845 1137079509 /nfs/dbraw/zinc/07/95/09/1137079509.db2.gz DKYMVYIVUQDCMW-KRWDZBQOSA-N 1 2 339.443 3.514 20 0 EHADLO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001137662043 1137089446 /nfs/dbraw/zinc/08/94/46/1137089446.db2.gz JMWWULHULDIXBW-UHFFFAOYSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@H](CC1CCCC1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823381785 1137097315 /nfs/dbraw/zinc/09/73/15/1137097315.db2.gz DRUXHORSECZSDQ-KGLIPLIRSA-N 1 2 337.464 3.875 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)nc1C(C)C ZINC000824273434 1137129297 /nfs/dbraw/zinc/12/92/97/1137129297.db2.gz KDBSXALUEVIFRR-ZDUSSCGKSA-N 1 2 347.488 3.720 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136858554 1137132938 /nfs/dbraw/zinc/13/29/38/1137132938.db2.gz VAPGVCAXXOWHAL-IUODEOHRSA-N 1 2 346.780 3.957 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001136858554 1137132939 /nfs/dbraw/zinc/13/29/39/1137132939.db2.gz VAPGVCAXXOWHAL-IUODEOHRSA-N 1 2 346.780 3.957 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(F)ncc2F)CC2CC2)c(OC)c1 ZINC000824339291 1137133164 /nfs/dbraw/zinc/13/31/64/1137133164.db2.gz RKQIUQSJMBBKDW-UHFFFAOYSA-N 1 2 348.393 3.789 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(F)ncc2F)CC2CC2)c(OC)c1 ZINC000824339291 1137133165 /nfs/dbraw/zinc/13/31/65/1137133165.db2.gz RKQIUQSJMBBKDW-UHFFFAOYSA-N 1 2 348.393 3.789 20 0 EHADLO O=C(C1CCC1)N1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136860909 1137133410 /nfs/dbraw/zinc/13/34/10/1137133410.db2.gz HIGSKKGFEZGOAL-UHFFFAOYSA-N 1 2 345.874 3.656 20 0 EHADLO O=C(C1CCC1)N1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136860909 1137133413 /nfs/dbraw/zinc/13/34/13/1137133413.db2.gz HIGSKKGFEZGOAL-UHFFFAOYSA-N 1 2 345.874 3.656 20 0 EHADLO COc1ccc(C([NH2+]Cc2cnc(C)o2)c2ccc(OC)cc2)cc1 ZINC000862277098 1137136724 /nfs/dbraw/zinc/13/67/24/1137136724.db2.gz OEAXYNZSSQZJLD-UHFFFAOYSA-N 1 2 338.407 3.879 20 0 EHADLO CC(C)C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@H](O)c1ccc(F)cc1 ZINC000118855198 1137137911 /nfs/dbraw/zinc/13/79/11/1137137911.db2.gz WEUKYJMSRMNYAT-INIZCTEOSA-N 1 2 349.450 3.698 20 0 EHADLO CC(C)C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@H](O)c1ccc(F)cc1 ZINC000118855198 1137137912 /nfs/dbraw/zinc/13/79/12/1137137912.db2.gz WEUKYJMSRMNYAT-INIZCTEOSA-N 1 2 349.450 3.698 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171057053 1137140469 /nfs/dbraw/zinc/14/04/69/1137140469.db2.gz SSLFDRAQPHMLKW-ZDUSSCGKSA-N 1 2 345.826 3.983 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171057053 1137140470 /nfs/dbraw/zinc/14/04/70/1137140470.db2.gz SSLFDRAQPHMLKW-ZDUSSCGKSA-N 1 2 345.826 3.983 20 0 EHADLO Cc1nccnc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000862378419 1137141504 /nfs/dbraw/zinc/14/15/04/1137141504.db2.gz COTWBCMTAZMJSD-QMMMGPOBSA-N 1 2 330.741 3.703 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136924715 1137147195 /nfs/dbraw/zinc/14/71/95/1137147195.db2.gz QDNCMWQPMCWASU-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136924715 1137147196 /nfs/dbraw/zinc/14/71/96/1137147196.db2.gz QDNCMWQPMCWASU-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000824807775 1137153326 /nfs/dbraw/zinc/15/33/26/1137153326.db2.gz QCWDVDUUSGWJQN-KRWDZBQOSA-N 1 2 349.434 3.773 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH]c[nH+]2)cccc1NC(=O)OC(C)(C)C ZINC000862719526 1137154815 /nfs/dbraw/zinc/15/48/15/1137154815.db2.gz ZBBWYWOHMDGJMA-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO Cc1c(NC(=O)CCc2c[nH+]c[nH]2)cccc1NC(=O)OC(C)(C)C ZINC000862719526 1137154816 /nfs/dbraw/zinc/15/48/16/1137154816.db2.gz ZBBWYWOHMDGJMA-UHFFFAOYSA-N 1 2 344.415 3.636 20 0 EHADLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2cnccc21 ZINC000825154029 1137165793 /nfs/dbraw/zinc/16/57/93/1137165793.db2.gz YAKUKVJAPYXKQY-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2cnccc21 ZINC000825154029 1137165794 /nfs/dbraw/zinc/16/57/94/1137165794.db2.gz YAKUKVJAPYXKQY-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO CCC(CC)(CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(F)(F)F ZINC000825365464 1137174889 /nfs/dbraw/zinc/17/48/89/1137174889.db2.gz WGOBHHUFQFDXOF-CYBMUJFWSA-N 1 2 333.398 3.955 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccnn1C1CCCC1 ZINC000825412424 1137177250 /nfs/dbraw/zinc/17/72/50/1137177250.db2.gz JYTHPKNQEQVLNS-KRWDZBQOSA-N 1 2 349.438 3.882 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)OCc1cccc2[nH+]ccn21 ZINC000805899357 1137177514 /nfs/dbraw/zinc/17/75/14/1137177514.db2.gz SACRETUVPMYXSW-HNNXBMFYSA-N 1 2 345.402 3.805 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340937 1137181764 /nfs/dbraw/zinc/18/17/64/1137181764.db2.gz OMXOLWOJAXJSQP-DLGQBQFBSA-N 1 2 334.411 3.612 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340937 1137181766 /nfs/dbraw/zinc/18/17/66/1137181766.db2.gz OMXOLWOJAXJSQP-DLGQBQFBSA-N 1 2 334.411 3.612 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(F)c1Cl ZINC001143623730 1137183736 /nfs/dbraw/zinc/18/37/36/1137183736.db2.gz SISDJMLTXDMTHT-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c(F)c1Cl ZINC001143623730 1137183738 /nfs/dbraw/zinc/18/37/38/1137183738.db2.gz SISDJMLTXDMTHT-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)no1 ZINC001143627436 1137184016 /nfs/dbraw/zinc/18/40/16/1137184016.db2.gz NASGEJWVKQHJBG-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO CC/C(C)=C(\C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863483467 1137188769 /nfs/dbraw/zinc/18/87/69/1137188769.db2.gz VKCXXBZZRTWYMC-FOCLMDBBSA-N 1 2 325.456 3.559 20 0 EHADLO C[N@H+](Cc1cncs1)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697138 1137190320 /nfs/dbraw/zinc/19/03/20/1137190320.db2.gz GGPVISNOAJVNCJ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1cncs1)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697138 1137190321 /nfs/dbraw/zinc/19/03/21/1137190321.db2.gz GGPVISNOAJVNCJ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001143704223 1137192262 /nfs/dbraw/zinc/19/22/62/1137192262.db2.gz AQIGZCFBVFTPKU-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001143704223 1137192264 /nfs/dbraw/zinc/19/22/64/1137192264.db2.gz AQIGZCFBVFTPKU-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609919 1137194285 /nfs/dbraw/zinc/19/42/85/1137194285.db2.gz IELNCCFBYBNWMD-CJNGLKHVSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609919 1137194287 /nfs/dbraw/zinc/19/42/87/1137194287.db2.gz IELNCCFBYBNWMD-CJNGLKHVSA-N 1 2 347.459 3.514 20 0 EHADLO O=C(/C=C\C1CCCCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844310370 1137208524 /nfs/dbraw/zinc/20/85/24/1137208524.db2.gz RNBLWTHSLCGYIT-KTKRTIGZSA-N 1 2 327.472 3.825 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(F)c1F ZINC001143918258 1137215145 /nfs/dbraw/zinc/21/51/45/1137215145.db2.gz XNUGCSPUPSXPHC-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(F)c1F ZINC001143918258 1137215146 /nfs/dbraw/zinc/21/51/46/1137215146.db2.gz XNUGCSPUPSXPHC-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000844361536 1137215178 /nfs/dbraw/zinc/21/51/78/1137215178.db2.gz UESHWAVYYSEQDQ-LBPRGKRZSA-N 1 2 332.831 3.780 20 0 EHADLO Cc1c(CN2CC[NH+](Cc3ccccn3)CC2)cccc1C(F)(F)F ZINC001143923752 1137215461 /nfs/dbraw/zinc/21/54/61/1137215461.db2.gz FTAZFXYZUJRQEZ-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143957083 1137218615 /nfs/dbraw/zinc/21/86/15/1137218615.db2.gz IBMPFIYZGASHJP-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143957083 1137218616 /nfs/dbraw/zinc/21/86/16/1137218616.db2.gz IBMPFIYZGASHJP-QGZVFWFLSA-N 1 2 342.817 3.595 20 0 EHADLO Fc1ccc(Cl)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c1F ZINC001143961854 1137219272 /nfs/dbraw/zinc/21/92/72/1137219272.db2.gz WHVKBLPGEPYLKH-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccc(Cl)c(C[N@H+]2CCCN(c3cccnc3)CC2)c1F ZINC001143961854 1137219274 /nfs/dbraw/zinc/21/92/74/1137219274.db2.gz WHVKBLPGEPYLKH-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000794669735 1137222897 /nfs/dbraw/zinc/22/28/97/1137222897.db2.gz TXTMTZIGZLVKOI-SWHYSGLUSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000794669735 1137222898 /nfs/dbraw/zinc/22/28/98/1137222898.db2.gz TXTMTZIGZLVKOI-SWHYSGLUSA-N 1 2 346.780 3.844 20 0 EHADLO CC(C)OC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(F)c1 ZINC000844478636 1137224911 /nfs/dbraw/zinc/22/49/11/1137224911.db2.gz RQIRDXVDBAJPPN-WMLDXEAASA-N 1 2 334.391 3.683 20 0 EHADLO C[N@H+](Cn1nc(-c2ccccc2F)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000794683694 1137226215 /nfs/dbraw/zinc/22/62/15/1137226215.db2.gz PPRWIVKMMBVPAQ-AWEZNQCLSA-N 1 2 329.419 3.517 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccccc2F)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000794683694 1137226216 /nfs/dbraw/zinc/22/62/16/1137226216.db2.gz PPRWIVKMMBVPAQ-AWEZNQCLSA-N 1 2 329.419 3.517 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCc3c(cccc3OC)C2)cc1F ZINC001144032562 1137228658 /nfs/dbraw/zinc/22/86/58/1137228658.db2.gz PLAYYQYDBYWJQO-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCc3c(cccc3OC)C2)cc1F ZINC001144032562 1137228659 /nfs/dbraw/zinc/22/86/59/1137228659.db2.gz PLAYYQYDBYWJQO-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO C[C@H](CC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000844584384 1137235841 /nfs/dbraw/zinc/23/58/41/1137235841.db2.gz SFVRFYJKENFKDA-MRVPVSSYSA-N 1 2 332.713 3.540 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000794704218 1137236085 /nfs/dbraw/zinc/23/60/85/1137236085.db2.gz DJZWIFKQAUGTQT-CQSZACIVSA-N 1 2 332.473 3.983 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000794704218 1137236087 /nfs/dbraw/zinc/23/60/87/1137236087.db2.gz DJZWIFKQAUGTQT-CQSZACIVSA-N 1 2 332.473 3.983 20 0 EHADLO COC(=O)C1([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171138024 1137237944 /nfs/dbraw/zinc/23/79/44/1137237944.db2.gz ALRXXWDUHGJFGE-LBPRGKRZSA-N 1 2 328.239 3.536 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1ccncc1 ZINC000794705515 1137238515 /nfs/dbraw/zinc/23/85/15/1137238515.db2.gz JWABXCSXSXELAT-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)nc1-c1ccncc1 ZINC000794705515 1137238517 /nfs/dbraw/zinc/23/85/17/1137238517.db2.gz JWABXCSXSXELAT-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144127297 1137243957 /nfs/dbraw/zinc/24/39/57/1137243957.db2.gz YPLRDXGTJYLBOB-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO O=C(CCc1cccc2ccccc21)NCCc1cn2c([nH+]1)CCCC2 ZINC000864802626 1137246865 /nfs/dbraw/zinc/24/68/65/1137246865.db2.gz LMEAGAMQVRBKJF-UHFFFAOYSA-N 1 2 347.462 3.664 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C(=O)CC23CCCC3)cc1 ZINC000844694690 1137248421 /nfs/dbraw/zinc/24/84/21/1137248421.db2.gz OLSVSFLTCJPQMN-QGZVFWFLSA-N 1 2 330.497 3.588 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C(=O)CC23CCCC3)cc1 ZINC000844694690 1137248422 /nfs/dbraw/zinc/24/84/22/1137248422.db2.gz OLSVSFLTCJPQMN-QGZVFWFLSA-N 1 2 330.497 3.588 20 0 EHADLO CC(C)c1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)c(C(C)C)c1 ZINC000864850795 1137249277 /nfs/dbraw/zinc/24/92/77/1137249277.db2.gz NCSSCDTUDRGXJS-AATRIKPKSA-N 1 2 330.472 3.760 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000844794423 1137252448 /nfs/dbraw/zinc/25/24/48/1137252448.db2.gz SHCIXTFQDPICAX-INIZCTEOSA-N 1 2 343.475 3.720 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC(Sc4ccncc4)CC3)c2c1 ZINC001144202514 1137253600 /nfs/dbraw/zinc/25/36/00/1137253600.db2.gz SQQZGUSEEIWOIX-UHFFFAOYSA-N 1 2 342.443 3.854 20 0 EHADLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1Br ZINC001144227002 1137256651 /nfs/dbraw/zinc/25/66/51/1137256651.db2.gz WJDBVVXUTMFTEY-JTQLQIEISA-N 1 2 334.204 3.935 20 0 EHADLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1Br ZINC001144227002 1137256653 /nfs/dbraw/zinc/25/66/53/1137256653.db2.gz WJDBVVXUTMFTEY-JTQLQIEISA-N 1 2 334.204 3.935 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)csc2s1 ZINC000865158358 1137265980 /nfs/dbraw/zinc/26/59/80/1137265980.db2.gz IZYNIBCQBUKPJA-CQSZACIVSA-N 1 2 345.493 3.874 20 0 EHADLO O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144288230 1137269070 /nfs/dbraw/zinc/26/90/70/1137269070.db2.gz TXMONXNMKZZWKE-CDCOJFFCSA-N 1 2 338.495 3.670 20 0 EHADLO Brc1c(C[N@@H+]2CCC3(C2)OCCO3)ccc2ccccc21 ZINC001144312847 1137272597 /nfs/dbraw/zinc/27/25/97/1137272597.db2.gz HZBQXSWDTAKVCL-UHFFFAOYSA-N 1 2 348.240 3.551 20 0 EHADLO Brc1c(C[N@H+]2CCC3(C2)OCCO3)ccc2ccccc21 ZINC001144312847 1137272598 /nfs/dbraw/zinc/27/25/98/1137272598.db2.gz HZBQXSWDTAKVCL-UHFFFAOYSA-N 1 2 348.240 3.551 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001144328152 1137275308 /nfs/dbraw/zinc/27/53/08/1137275308.db2.gz ROZPXSAVVKCIHW-UHFFFAOYSA-N 1 2 349.434 3.789 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001144328152 1137275309 /nfs/dbraw/zinc/27/53/09/1137275309.db2.gz ROZPXSAVVKCIHW-UHFFFAOYSA-N 1 2 349.434 3.789 20 0 EHADLO Cc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144359983 1137278386 /nfs/dbraw/zinc/27/83/86/1137278386.db2.gz YOLLLHWPIPPBAI-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144359983 1137278387 /nfs/dbraw/zinc/27/83/87/1137278387.db2.gz YOLLLHWPIPPBAI-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2nccc(C)c2Br)c1 ZINC000865414778 1137281335 /nfs/dbraw/zinc/28/13/35/1137281335.db2.gz CAZZPLSMBMRKFM-UHFFFAOYSA-N 1 2 335.245 3.841 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144381946 1137281695 /nfs/dbraw/zinc/28/16/95/1137281695.db2.gz QOBKQCYEUUGBAE-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144381946 1137281697 /nfs/dbraw/zinc/28/16/97/1137281697.db2.gz QOBKQCYEUUGBAE-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1ccc(Br)c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000865426654 1137282647 /nfs/dbraw/zinc/28/26/47/1137282647.db2.gz DDVKPRLYHFSCRP-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1oc(-c2ccccc2)nc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278575 1137283192 /nfs/dbraw/zinc/28/31/92/1137283192.db2.gz URDULHDDTFIPJT-CYBMUJFWSA-N 1 2 325.368 3.541 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1Br ZINC000865459302 1137285858 /nfs/dbraw/zinc/28/58/58/1137285858.db2.gz CQADHLJQTVNKAH-LBPRGKRZSA-N 1 2 337.265 3.781 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1Cl ZINC000865465349 1137286482 /nfs/dbraw/zinc/28/64/82/1137286482.db2.gz XWCXZTMXEAPYMS-MAUKXSAKSA-N 1 2 348.878 3.597 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1OC(F)F ZINC000865490064 1137288431 /nfs/dbraw/zinc/28/84/31/1137288431.db2.gz YQDJHTLJPGNTAO-UHFFFAOYSA-N 1 2 337.370 3.508 20 0 EHADLO CCCn1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nn1 ZINC000865500620 1137289275 /nfs/dbraw/zinc/28/92/75/1137289275.db2.gz XPQBBVMNUPTMHU-UHFFFAOYSA-N 1 2 336.443 3.500 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cccc(SC(F)F)c1 ZINC000845414785 1137292787 /nfs/dbraw/zinc/29/27/87/1137292787.db2.gz NWGPOHBYPCQPMF-UHFFFAOYSA-N 1 2 337.395 3.715 20 0 EHADLO C[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1cnc2ccccc2c1 ZINC000845460245 1137293297 /nfs/dbraw/zinc/29/32/97/1137293297.db2.gz QDAUGPNCIIFFGU-AWEZNQCLSA-N 1 2 335.407 3.615 20 0 EHADLO CN(c1ccc(Nc2cccc3c2CNC3=O)c[nH+]1)C1CCCCC1 ZINC001212614383 1137293800 /nfs/dbraw/zinc/29/38/00/1137293800.db2.gz LSKZAXUEECTZPX-UHFFFAOYSA-N 1 2 336.439 3.838 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C)c(Br)c2C)n1 ZINC000865558352 1137295027 /nfs/dbraw/zinc/29/50/27/1137295027.db2.gz NMWRCNKIXIFOIJ-UHFFFAOYSA-N 1 2 338.249 3.782 20 0 EHADLO CCC(CC)(C(=O)OCc1cccc2[nH+]ccn21)C(=O)OC(C)(C)C ZINC000845495705 1137295162 /nfs/dbraw/zinc/29/51/62/1137295162.db2.gz YCLSCLZOIHVEQY-UHFFFAOYSA-N 1 2 346.427 3.526 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144452079 1137297599 /nfs/dbraw/zinc/29/75/99/1137297599.db2.gz HQLQSFYWQQSCPY-QGZVFWFLSA-N 1 2 333.435 3.943 20 0 EHADLO Clc1c(Br)cccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865601682 1137297875 /nfs/dbraw/zinc/29/78/75/1137297875.db2.gz ACBJTWKSGCCZQR-UHFFFAOYSA-N 1 2 340.652 3.924 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144481557 1137298345 /nfs/dbraw/zinc/29/83/45/1137298345.db2.gz YIMANZYHNYFHDB-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144481557 1137298347 /nfs/dbraw/zinc/29/83/47/1137298347.db2.gz YIMANZYHNYFHDB-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144473238 1137298864 /nfs/dbraw/zinc/29/88/64/1137298864.db2.gz RZXNBKGQAJUPLE-KRWDZBQOSA-N 1 2 330.403 3.713 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144473238 1137298866 /nfs/dbraw/zinc/29/88/66/1137298866.db2.gz RZXNBKGQAJUPLE-KRWDZBQOSA-N 1 2 330.403 3.713 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC3(COC3)C2)c(F)cc1Br ZINC001144583550 1137312901 /nfs/dbraw/zinc/31/29/01/1137312901.db2.gz ICCOQFRCNSOTLQ-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO Cc1cc(C[N@H+]2CCCC3(COC3)C2)c(F)cc1Br ZINC001144583550 1137312902 /nfs/dbraw/zinc/31/29/02/1137312902.db2.gz ICCOQFRCNSOTLQ-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO CCCO[C@H]1CC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144587685 1137313249 /nfs/dbraw/zinc/31/32/49/1137313249.db2.gz DFMWKLDSZUEFNN-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO CCCO[C@H]1CC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144587685 1137313251 /nfs/dbraw/zinc/31/32/51/1137313251.db2.gz DFMWKLDSZUEFNN-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(C)s1)c1cccc(Br)c1 ZINC000865822436 1137314260 /nfs/dbraw/zinc/31/42/60/1137314260.db2.gz GZZDAHZOOQHKPC-ZDUSSCGKSA-N 1 2 341.274 3.691 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCSc1ccccn1 ZINC000865886174 1137318829 /nfs/dbraw/zinc/31/88/29/1137318829.db2.gz HONCVQMDABVQEH-UHFFFAOYSA-N 1 2 342.472 3.571 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cc(Cl)cc(Br)c2)n(C)n1 ZINC001144690805 1137327714 /nfs/dbraw/zinc/32/77/14/1137327714.db2.gz VPLZFYSIMHKWMS-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO CCc1csc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000865898048 1137319305 /nfs/dbraw/zinc/31/93/05/1137319305.db2.gz KWAVLABESYKDBU-SNVBAGLBSA-N 1 2 330.461 3.773 20 0 EHADLO O=C1CC2(CC[NH+](Cc3cc(F)c(O)cc3F)CC2)c2ccccc21 ZINC001144663251 1137324798 /nfs/dbraw/zinc/32/47/98/1137324798.db2.gz ARRJUBZUTNXPKM-UHFFFAOYSA-N 1 2 343.373 3.791 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cc(Cl)cc(Br)c2)n(C)n1 ZINC001144690805 1137327713 /nfs/dbraw/zinc/32/77/13/1137327713.db2.gz VPLZFYSIMHKWMS-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1ccc(C)nn1 ZINC000846108868 1137332690 /nfs/dbraw/zinc/33/26/90/1137332690.db2.gz FAWZIFWPXBKTKY-MRXNPFEDSA-N 1 2 331.847 3.956 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C)nn1 ZINC000846108868 1137332691 /nfs/dbraw/zinc/33/26/91/1137332691.db2.gz FAWZIFWPXBKTKY-MRXNPFEDSA-N 1 2 331.847 3.956 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000846116774 1137333629 /nfs/dbraw/zinc/33/36/29/1137333629.db2.gz HNWAXXCLPBAXED-GDBMZVCRSA-N 1 2 349.475 3.818 20 0 EHADLO Cc1cccc(N2CCN(Cc3cc(F)c(F)cc3Cl)CC2)[nH+]1 ZINC001144722040 1137338891 /nfs/dbraw/zinc/33/88/91/1137338891.db2.gz LJZARVMEWZTHNP-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1ncc[nH]1 ZINC000846210443 1137343186 /nfs/dbraw/zinc/34/31/86/1137343186.db2.gz YEDIZYPPUJMGKT-MAZHCROVSA-N 1 2 327.428 3.631 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000846211391 1137343590 /nfs/dbraw/zinc/34/35/90/1137343590.db2.gz DYIFBRCNBAIPDW-JKSUJKDBSA-N 1 2 349.475 3.723 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000866332146 1137346371 /nfs/dbraw/zinc/34/63/71/1137346371.db2.gz UREGIJQTLDTWEN-DOKOSKEHSA-N 1 2 342.483 3.670 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc(N2CCCC2)n1 ZINC000866360009 1137349378 /nfs/dbraw/zinc/34/93/78/1137349378.db2.gz BQOFUZOVXFDLQJ-YLJYHZDGSA-N 1 2 341.430 3.552 20 0 EHADLO O=C(C(=Cc1ccccc1)C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421340 1137353380 /nfs/dbraw/zinc/35/33/80/1137353380.db2.gz ZBKIMNFGLKMWSG-GDNBJRDFSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(C(=Cc1ccccc1)C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421340 1137353382 /nfs/dbraw/zinc/35/33/82/1137353382.db2.gz ZBKIMNFGLKMWSG-GDNBJRDFSA-N 1 2 349.356 3.762 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)n1 ZINC000866565773 1137365173 /nfs/dbraw/zinc/36/51/73/1137365173.db2.gz QTAGRUAKPBVORX-CYBMUJFWSA-N 1 2 325.334 3.500 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CC[C@H]3C(C)(C)C)cc2)CC1 ZINC000866626463 1137371041 /nfs/dbraw/zinc/37/10/41/1137371041.db2.gz MRWSRNMXXAFSMC-RTBURBONSA-N 1 2 329.488 3.592 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nnc(-c2ccccc2)o1)OCC ZINC000846968969 1137377493 /nfs/dbraw/zinc/37/74/93/1137377493.db2.gz LEKHKMLRGFLQJF-CQSZACIVSA-N 1 2 333.432 3.519 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nnc(-c2ccccc2)o1)OCC ZINC000846968969 1137377494 /nfs/dbraw/zinc/37/74/94/1137377494.db2.gz LEKHKMLRGFLQJF-CQSZACIVSA-N 1 2 333.432 3.519 20 0 EHADLO Cc1cc(NC(=O)C(F)(F)c2ccccc2OC(C)C)c(C)c[nH+]1 ZINC000846946126 1137377997 /nfs/dbraw/zinc/37/79/97/1137377997.db2.gz QNVVBQRWKWOAFB-UHFFFAOYSA-N 1 2 334.366 3.638 20 0 EHADLO COc1ccccc1-c1nc(C[NH+]2CCC(C(C)=O)CC2)cs1 ZINC000846951834 1137378511 /nfs/dbraw/zinc/37/85/11/1137378511.db2.gz BQLKXTXADQSORK-UHFFFAOYSA-N 1 2 330.453 3.620 20 0 EHADLO COc1ccccc1[C@@H](C)N(OC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001146562123 1137391908 /nfs/dbraw/zinc/39/19/08/1137391908.db2.gz AEARVIOLKRGQRE-NVXWUHKLSA-N 1 2 345.443 3.630 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CC1Cc2ccccc2C1 ZINC001146802780 1137395341 /nfs/dbraw/zinc/39/53/41/1137395341.db2.gz JYZBMNXDHZYJQR-UHFFFAOYSA-N 1 2 345.446 3.636 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC(C)(C)[C@H]2c2ccco2)c1C ZINC000868182254 1137400915 /nfs/dbraw/zinc/40/09/15/1137400915.db2.gz QGJNFVRLZFOBJW-QGZVFWFLSA-N 1 2 343.427 3.593 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000122261740 1137419720 /nfs/dbraw/zinc/41/97/20/1137419720.db2.gz SVLOCEXPUMODQS-UHFFFAOYSA-N 1 2 339.826 3.983 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000122261740 1137419722 /nfs/dbraw/zinc/41/97/22/1137419722.db2.gz SVLOCEXPUMODQS-UHFFFAOYSA-N 1 2 339.826 3.983 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001148499967 1137426994 /nfs/dbraw/zinc/42/69/94/1137426994.db2.gz QFCLMPCFHMBGKY-OAHLLOKOSA-N 1 2 349.434 3.847 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001148633612 1137430243 /nfs/dbraw/zinc/43/02/43/1137430243.db2.gz CCRVLUGDIIOZFE-QFIPXVFZSA-N 1 2 346.474 3.621 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001148633612 1137430245 /nfs/dbraw/zinc/43/02/45/1137430245.db2.gz CCRVLUGDIIOZFE-QFIPXVFZSA-N 1 2 346.474 3.621 20 0 EHADLO Cc1cncc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001148779262 1137433321 /nfs/dbraw/zinc/43/33/21/1137433321.db2.gz MNIMUAJYHXLPBZ-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cncc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001148779262 1137433322 /nfs/dbraw/zinc/43/33/22/1137433322.db2.gz MNIMUAJYHXLPBZ-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(-c2ccc(O)cc2)cc1 ZINC001148872303 1137436943 /nfs/dbraw/zinc/43/69/43/1137436943.db2.gz HKKGHTJUGQASIJ-UHFFFAOYSA-N 1 2 330.387 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1Cl ZINC000712474696 1137468373 /nfs/dbraw/zinc/46/83/73/1137468373.db2.gz AFHYFMUBCNWMBB-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1 ZINC000348195527 1137449481 /nfs/dbraw/zinc/44/94/81/1137449481.db2.gz XWJBBMQAHVWJMO-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1 ZINC000348195527 1137449482 /nfs/dbraw/zinc/44/94/82/1137449482.db2.gz XWJBBMQAHVWJMO-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2ccccc2)CCC1 ZINC000348221101 1137453733 /nfs/dbraw/zinc/45/37/33/1137453733.db2.gz JNIJLAIXOYXUII-UHFFFAOYSA-N 1 2 349.409 3.750 20 0 EHADLO Cc1nc(-c2ccc(C(=O)OCCCc3[nH+]ccn3C)s2)cs1 ZINC000870304155 1137486708 /nfs/dbraw/zinc/48/67/08/1137486708.db2.gz KIMHGUWCDWDEFX-UHFFFAOYSA-N 1 2 347.465 3.703 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)O1 ZINC000870349457 1137489594 /nfs/dbraw/zinc/48/95/94/1137489594.db2.gz ONCQWSFCAGXSQT-GLJUWKHASA-N 1 2 340.423 3.605 20 0 EHADLO CC(C)(CC(=O)N1CCCC1)Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001171492145 1137491640 /nfs/dbraw/zinc/49/16/40/1137491640.db2.gz QQFUUQVIKZSERA-UHFFFAOYSA-N 1 2 341.499 3.588 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H]2CCCC[C@@H]12 ZINC001171534541 1137493923 /nfs/dbraw/zinc/49/39/23/1137493923.db2.gz WOSOZTXIBIDKOA-IOASZLSFSA-N 1 2 337.385 3.795 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H]2CCCC[C@@H]12 ZINC001171534541 1137493924 /nfs/dbraw/zinc/49/39/24/1137493924.db2.gz WOSOZTXIBIDKOA-IOASZLSFSA-N 1 2 337.385 3.795 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)[C@@H](C)CC ZINC001171511768 1137495328 /nfs/dbraw/zinc/49/53/28/1137495328.db2.gz JABUCYQOLIYQMH-ZMNCSTGQSA-N 1 2 343.389 3.529 20 0 EHADLO C[C@@H]1C[C@@H](NC(C(F)(F)F)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001171732328 1137507265 /nfs/dbraw/zinc/50/72/65/1137507265.db2.gz IXGUFBGAMPIPPE-ZYHUDNBSSA-N 1 2 340.311 3.732 20 0 EHADLO C[C@@H]1C[C@@H](NC(C(F)(F)F)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001171732328 1137507266 /nfs/dbraw/zinc/50/72/66/1137507266.db2.gz IXGUFBGAMPIPPE-ZYHUDNBSSA-N 1 2 340.311 3.732 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809792 1137514336 /nfs/dbraw/zinc/51/43/36/1137514336.db2.gz JKMIUYQVXJXAKO-GUYCJALGSA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809792 1137514338 /nfs/dbraw/zinc/51/43/38/1137514338.db2.gz JKMIUYQVXJXAKO-GUYCJALGSA-N 1 2 344.480 3.756 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001171808968 1137514392 /nfs/dbraw/zinc/51/43/92/1137514392.db2.gz GVURSJLVLLJESU-KRWDZBQOSA-N 1 2 333.410 3.672 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001171808968 1137514393 /nfs/dbraw/zinc/51/43/93/1137514393.db2.gz GVURSJLVLLJESU-KRWDZBQOSA-N 1 2 333.410 3.672 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CC[NH+](Cc2ccsc2)CC1 ZINC000018947007 1137540758 /nfs/dbraw/zinc/54/07/58/1137540758.db2.gz LTZTZFQWKDFNRN-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1nnc(C)o1 ZINC001172365590 1137554834 /nfs/dbraw/zinc/55/48/34/1137554834.db2.gz BWNPNYAQDUYPFJ-OVAAFMSASA-N 1 2 329.444 3.890 20 0 EHADLO COc1cccc2c(NC[C@@H](C)NC(=O)OC(C)(C)C)cc[nH+]c12 ZINC000795190235 1137560263 /nfs/dbraw/zinc/56/02/63/1137560263.db2.gz WQYAOBIIVKEFLV-GFCCVEGCSA-N 1 2 331.416 3.569 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)c1ccc(C)cc1 ZINC000871933745 1137563342 /nfs/dbraw/zinc/56/33/42/1137563342.db2.gz XOIWNXLMEQKCSH-CYBMUJFWSA-N 1 2 337.876 3.636 20 0 EHADLO Fc1cccc2c(CN3CC[NH+](Cc4ccccc4F)CC3)c[nH]c21 ZINC001137055675 1137571024 /nfs/dbraw/zinc/57/10/24/1137571024.db2.gz AQWAYSQKTNDJDG-UHFFFAOYSA-N 1 2 341.405 3.764 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+]CCC[C@H]2CCOC2=O)C(F)F)c1 ZINC000872112286 1137571942 /nfs/dbraw/zinc/57/19/42/1137571942.db2.gz ISFCCVHQSXCEMD-XJKSGUPXSA-N 1 2 341.398 3.713 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCC[C@H](OC4CCC4)CC3)no2)cs1 ZINC000872277650 1137577261 /nfs/dbraw/zinc/57/72/61/1137577261.db2.gz TZPSJSIKDJROAA-HNNXBMFYSA-N 1 2 333.457 3.722 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCC[C@H](OC4CCC4)CC3)no2)cs1 ZINC000872277650 1137577262 /nfs/dbraw/zinc/57/72/62/1137577262.db2.gz TZPSJSIKDJROAA-HNNXBMFYSA-N 1 2 333.457 3.722 20 0 EHADLO c1ccc(-c2cc(NCc3cc[nH+]c(N4CCCC4)c3)ncn2)cc1 ZINC000872403783 1137579387 /nfs/dbraw/zinc/57/93/87/1137579387.db2.gz YAVRDKKHHNLJSC-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO CC(C)(O)[C@@H]1CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000872782143 1137584343 /nfs/dbraw/zinc/58/43/43/1137584343.db2.gz IXUSJEGZEAFROA-GFCCVEGCSA-N 1 2 335.245 3.595 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000872818363 1137585025 /nfs/dbraw/zinc/58/50/25/1137585025.db2.gz JQXWWDJGGOIBKY-CYBMUJFWSA-N 1 2 349.425 3.760 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000872818363 1137585026 /nfs/dbraw/zinc/58/50/26/1137585026.db2.gz JQXWWDJGGOIBKY-CYBMUJFWSA-N 1 2 349.425 3.760 20 0 EHADLO CC(C)(C)c1nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)co1 ZINC000873492312 1137600850 /nfs/dbraw/zinc/60/08/50/1137600850.db2.gz WVDLDKATJANYRY-UHFFFAOYSA-N 1 2 325.368 3.515 20 0 EHADLO Cc1cc(F)c(Br)cc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000873636964 1137605390 /nfs/dbraw/zinc/60/53/90/1137605390.db2.gz JTTPUQQMZGJOGX-SNVBAGLBSA-N 1 2 341.180 3.650 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sccc1C(F)F ZINC000874157069 1137611236 /nfs/dbraw/zinc/61/12/36/1137611236.db2.gz IKEJVIREPXTGMD-LLVKDONJSA-N 1 2 327.400 3.727 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000874255049 1137612102 /nfs/dbraw/zinc/61/21/02/1137612102.db2.gz OVFIYRZZUQCLIV-KRWDZBQOSA-N 1 2 325.456 3.693 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000874378338 1137613385 /nfs/dbraw/zinc/61/33/85/1137613385.db2.gz AILCJFPTZHGGIF-UHFFFAOYSA-N 1 2 341.333 3.624 20 0 EHADLO Cc1cc2ccccc2nc1N1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC001137080726 1137616430 /nfs/dbraw/zinc/61/64/30/1137616430.db2.gz PSYVRXXNGUVIOJ-UHFFFAOYSA-N 1 2 349.482 3.643 20 0 EHADLO Cc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1-c1ccsc1 ZINC000874909137 1137626005 /nfs/dbraw/zinc/62/60/05/1137626005.db2.gz ZHDKBIGIWXWRFZ-IHWYPQMZSA-N 1 2 342.464 3.550 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000125632253 1137639456 /nfs/dbraw/zinc/63/94/56/1137639456.db2.gz XIRSQNNNFQRXPM-LJQANCHMSA-N 1 2 345.826 3.839 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000125632253 1137639457 /nfs/dbraw/zinc/63/94/57/1137639457.db2.gz XIRSQNNNFQRXPM-LJQANCHMSA-N 1 2 345.826 3.839 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C1CC1 ZINC000876208723 1137646069 /nfs/dbraw/zinc/64/60/69/1137646069.db2.gz UKWFDKYQEFJBBK-RDTXWAMCSA-N 1 2 339.439 3.701 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C1CC1 ZINC000876208723 1137646070 /nfs/dbraw/zinc/64/60/70/1137646070.db2.gz UKWFDKYQEFJBBK-RDTXWAMCSA-N 1 2 339.439 3.701 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000876811421 1137662322 /nfs/dbraw/zinc/66/23/22/1137662322.db2.gz KHWMBEGSTSPIGA-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000876811421 1137662323 /nfs/dbraw/zinc/66/23/23/1137662323.db2.gz KHWMBEGSTSPIGA-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO CC1(C)[N@H+](Cc2ncc(Cl)s2)CC[C@]12C(=O)Oc1ccccc12 ZINC001137113305 1137663545 /nfs/dbraw/zinc/66/35/45/1137663545.db2.gz XTDYLHDWWBDPCG-KRWDZBQOSA-N 1 2 348.855 3.638 20 0 EHADLO CC1(C)[N@@H+](Cc2ncc(Cl)s2)CC[C@]12C(=O)Oc1ccccc12 ZINC001137113305 1137663546 /nfs/dbraw/zinc/66/35/46/1137663546.db2.gz XTDYLHDWWBDPCG-KRWDZBQOSA-N 1 2 348.855 3.638 20 0 EHADLO C[C@@H](CCOCc1ccccc1)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000876853430 1137663671 /nfs/dbraw/zinc/66/36/71/1137663671.db2.gz KWKYFNNPNTWHOZ-KRWDZBQOSA-N 1 2 328.456 3.522 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1)C1CCC1 ZINC000876915673 1137665150 /nfs/dbraw/zinc/66/51/50/1137665150.db2.gz XNEHKAHCWUEWQY-UHFFFAOYSA-N 1 2 335.860 3.825 20 0 EHADLO CCO[P@@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000876954931 1137666185 /nfs/dbraw/zinc/66/61/85/1137666185.db2.gz PVWBOSDNCLLXTG-JLCFBVMHSA-N 1 2 325.393 3.817 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc(Cl)cs2)[C@H]2CCCO2)cc1 ZINC000876978960 1137666800 /nfs/dbraw/zinc/66/68/00/1137666800.db2.gz RREJYBKCAPTBHX-DOMZBBRYSA-N 1 2 326.824 3.946 20 0 EHADLO Fc1cc(Br)ccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877045429 1137668500 /nfs/dbraw/zinc/66/85/00/1137668500.db2.gz CHTJBPYAOMMCMY-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000877068997 1137669444 /nfs/dbraw/zinc/66/94/44/1137669444.db2.gz FYRTULDAIOHMAC-GFCCVEGCSA-N 1 2 343.185 3.759 20 0 EHADLO COC(=O)[C@@H](C)Cc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877348762 1137674673 /nfs/dbraw/zinc/67/46/73/1137674673.db2.gz OUHAMHHSDIIFBC-ZDUSSCGKSA-N 1 2 342.439 3.671 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000877552231 1137681018 /nfs/dbraw/zinc/68/10/18/1137681018.db2.gz ANBJUSJZOKCKHV-HNNXBMFYSA-N 1 2 327.255 3.779 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000877552231 1137681019 /nfs/dbraw/zinc/68/10/19/1137681019.db2.gz ANBJUSJZOKCKHV-HNNXBMFYSA-N 1 2 327.255 3.779 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1C ZINC000877659038 1137684568 /nfs/dbraw/zinc/68/45/68/1137684568.db2.gz HLEKMJLKHSMCLA-LBPRGKRZSA-N 1 2 339.439 3.789 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)ncc1Br ZINC000877811290 1137690879 /nfs/dbraw/zinc/69/08/79/1137690879.db2.gz YANQXWIFKUNCKD-LBPRGKRZSA-N 1 2 337.183 3.927 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)ncc1Br ZINC000877811290 1137690880 /nfs/dbraw/zinc/69/08/80/1137690880.db2.gz YANQXWIFKUNCKD-LBPRGKRZSA-N 1 2 337.183 3.927 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000877816286 1137691225 /nfs/dbraw/zinc/69/12/25/1137691225.db2.gz ALIOMJYTFDPRRN-UHFFFAOYSA-N 1 2 327.453 3.537 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000877816286 1137691226 /nfs/dbraw/zinc/69/12/26/1137691226.db2.gz ALIOMJYTFDPRRN-UHFFFAOYSA-N 1 2 327.453 3.537 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1OC(F)F ZINC000877821344 1137691631 /nfs/dbraw/zinc/69/16/31/1137691631.db2.gz WSEUPMMCQMAVHL-GFCCVEGCSA-N 1 2 343.267 3.580 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1OC(F)F ZINC000877821344 1137691632 /nfs/dbraw/zinc/69/16/32/1137691632.db2.gz WSEUPMMCQMAVHL-GFCCVEGCSA-N 1 2 343.267 3.580 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCc2ccccc21 ZINC000877926648 1137696000 /nfs/dbraw/zinc/69/60/00/1137696000.db2.gz ORNWMIORCNLVOP-QAQDUYKDSA-N 1 2 336.439 3.577 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878019319 1137699671 /nfs/dbraw/zinc/69/96/71/1137699671.db2.gz CDMOEPHESOKQTB-UHFFFAOYSA-N 1 2 346.393 3.959 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000878041940 1137700369 /nfs/dbraw/zinc/70/03/69/1137700369.db2.gz QWYXOMQZGXZGKF-GHJWDPDVSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000878041940 1137700370 /nfs/dbraw/zinc/70/03/70/1137700370.db2.gz QWYXOMQZGXZGKF-GHJWDPDVSA-N 1 2 330.255 3.792 20 0 EHADLO C[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000878153593 1137704771 /nfs/dbraw/zinc/70/47/71/1137704771.db2.gz VQIRNOGINJFNIC-LSDHHAIUSA-N 1 2 327.490 3.656 20 0 EHADLO C[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000878153593 1137704772 /nfs/dbraw/zinc/70/47/72/1137704772.db2.gz VQIRNOGINJFNIC-LSDHHAIUSA-N 1 2 327.490 3.656 20 0 EHADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000878255844 1137708872 /nfs/dbraw/zinc/70/88/72/1137708872.db2.gz USMJNXUCTKKBJB-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000878255844 1137708873 /nfs/dbraw/zinc/70/88/73/1137708873.db2.gz USMJNXUCTKKBJB-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286507 1137709837 /nfs/dbraw/zinc/70/98/37/1137709837.db2.gz PNNCHBYOEAJKRL-VQIMIIECSA-N 1 2 345.389 3.736 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286507 1137709838 /nfs/dbraw/zinc/70/98/38/1137709838.db2.gz PNNCHBYOEAJKRL-VQIMIIECSA-N 1 2 345.389 3.736 20 0 EHADLO COc1cccc(C2([NH2+]Cc3ncccc3Br)CC2)c1 ZINC000878369255 1137712989 /nfs/dbraw/zinc/71/29/89/1137712989.db2.gz RAFMKGVOVOYEMI-UHFFFAOYSA-N 1 2 333.229 3.632 20 0 EHADLO Cc1cc2scc(CC(=O)NCCCCn3cc[nH+]c3)c2s1 ZINC000878368611 1137713086 /nfs/dbraw/zinc/71/30/86/1137713086.db2.gz LTMUIOYEVNKOIN-UHFFFAOYSA-N 1 2 333.482 3.607 20 0 EHADLO OC[C@H]([NH2+]Cc1scnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000878397522 1137714293 /nfs/dbraw/zinc/71/42/93/1137714293.db2.gz RAUBHBVXCSFTEP-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878509609 1137718394 /nfs/dbraw/zinc/71/83/94/1137718394.db2.gz RXKAJMMDWPJDAG-RFAUZJTJSA-N 1 2 342.226 3.701 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000878770900 1137727822 /nfs/dbraw/zinc/72/78/22/1137727822.db2.gz XRYRCUUJDSUMCZ-GOSISDBHSA-N 1 2 347.524 3.983 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000878770900 1137727823 /nfs/dbraw/zinc/72/78/23/1137727823.db2.gz XRYRCUUJDSUMCZ-GOSISDBHSA-N 1 2 347.524 3.983 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)CC2CCCC2)c(=S)n1C ZINC000127428135 1137732906 /nfs/dbraw/zinc/73/29/06/1137732906.db2.gz OBWRARIJUCYYEM-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)CC2CCCC2)c(=S)n1C ZINC000127428135 1137732907 /nfs/dbraw/zinc/73/29/07/1137732907.db2.gz OBWRARIJUCYYEM-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO COCCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000879030229 1137735831 /nfs/dbraw/zinc/73/58/31/1137735831.db2.gz HCLBFMCQMLWEJI-CQSZACIVSA-N 1 2 338.879 3.724 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)[C@@H]2CCC[C@H]21 ZINC000879055621 1137736594 /nfs/dbraw/zinc/73/65/94/1137736594.db2.gz JGRQZOBZVFMNQP-FIXISWKDSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)[C@@H]2CCC[C@H]21 ZINC000879055621 1137736595 /nfs/dbraw/zinc/73/65/95/1137736595.db2.gz JGRQZOBZVFMNQP-FIXISWKDSA-N 1 2 343.254 3.552 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccccc3cc2F)C[C@H]1n1cc[nH+]c1 ZINC000879152546 1137739556 /nfs/dbraw/zinc/73/95/56/1137739556.db2.gz QZUFYVJPEGPMMV-IFXJQAMLSA-N 1 2 337.398 3.899 20 0 EHADLO Cc1cccc(C(=O)NC2CC[NH+](Cc3ncc(C(C)C)o3)CC2)c1 ZINC000879349293 1137745117 /nfs/dbraw/zinc/74/51/17/1137745117.db2.gz PESVKNWCZGTGAS-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557091 1137750834 /nfs/dbraw/zinc/75/08/34/1137750834.db2.gz BDAJSGAXDYEQJB-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557091 1137750835 /nfs/dbraw/zinc/75/08/35/1137750835.db2.gz BDAJSGAXDYEQJB-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558606 1137750885 /nfs/dbraw/zinc/75/08/85/1137750885.db2.gz KMIUTSFHMXYWKU-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000879558606 1137750886 /nfs/dbraw/zinc/75/08/86/1137750886.db2.gz KMIUTSFHMXYWKU-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000879750821 1137757801 /nfs/dbraw/zinc/75/78/01/1137757801.db2.gz WSGWKVVXLBOTRE-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000879750821 1137757802 /nfs/dbraw/zinc/75/78/02/1137757802.db2.gz WSGWKVVXLBOTRE-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001393 1137764255 /nfs/dbraw/zinc/76/42/55/1137764255.db2.gz ULCCFSJLXAKXCB-XPTSAGLGSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001393 1137764256 /nfs/dbraw/zinc/76/42/56/1137764256.db2.gz ULCCFSJLXAKXCB-XPTSAGLGSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001571 1137764394 /nfs/dbraw/zinc/76/43/94/1137764394.db2.gz QYDBWPQROBXFMI-BONVTDFDSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001571 1137764395 /nfs/dbraw/zinc/76/43/95/1137764395.db2.gz QYDBWPQROBXFMI-BONVTDFDSA-N 1 2 325.334 3.671 20 0 EHADLO Cc1nc(C(C)C)ncc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000880165480 1137769629 /nfs/dbraw/zinc/76/96/29/1137769629.db2.gz PPHALMDBBJETHR-UHFFFAOYSA-N 1 2 349.438 3.775 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)o1 ZINC000880225854 1137771370 /nfs/dbraw/zinc/77/13/70/1137771370.db2.gz ZDARKLQFXUKGDP-UEDWGHLCSA-N 1 2 334.419 3.790 20 0 EHADLO c1ccc(COc2ccc(C[NH2+]C3(c4ncccn4)CCC3)cc2)nc1 ZINC000880365702 1137776335 /nfs/dbraw/zinc/77/63/35/1137776335.db2.gz QEKBESCZIKVYRR-UHFFFAOYSA-N 1 2 346.434 3.620 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)n1 ZINC000880383825 1137777289 /nfs/dbraw/zinc/77/72/89/1137777289.db2.gz KFASBQMSXKPDMY-JTQLQIEISA-N 1 2 343.349 3.821 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cscc1Cl ZINC000880978661 1137796322 /nfs/dbraw/zinc/79/63/22/1137796322.db2.gz KWVOMQUWVSQQQH-LBPRGKRZSA-N 1 2 326.853 3.834 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000128793433 1137799567 /nfs/dbraw/zinc/79/95/67/1137799567.db2.gz NBYLTPLOOYOBOK-HXUWFJFHSA-N 1 2 331.419 3.682 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129016148 1137807644 /nfs/dbraw/zinc/80/76/44/1137807644.db2.gz ALMAACJSJLLHKY-RHSMWYFYSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129016148 1137807645 /nfs/dbraw/zinc/80/76/45/1137807645.db2.gz ALMAACJSJLLHKY-RHSMWYFYSA-N 1 2 329.419 3.517 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2(C)C)cc1 ZINC000881659448 1137813131 /nfs/dbraw/zinc/81/31/31/1137813131.db2.gz CZJOWPACDPNQFE-HKUYNNGSSA-N 1 2 337.467 3.549 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2(C)C)cc1 ZINC000881660072 1137813249 /nfs/dbraw/zinc/81/32/49/1137813249.db2.gz KPBKMWOKPWYHBQ-QAPCUYQASA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2(C)C)cc1 ZINC000881660072 1137813250 /nfs/dbraw/zinc/81/32/50/1137813250.db2.gz KPBKMWOKPWYHBQ-QAPCUYQASA-N 1 2 325.456 3.691 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1Nc1cc(C(F)F)nc2ncnn21 ZINC000881754724 1137815144 /nfs/dbraw/zinc/81/51/44/1137815144.db2.gz VYLSHNWOAWUUFT-UHFFFAOYSA-N 1 2 344.369 3.714 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2sc(C)nc2CC(C)C)c1C ZINC000129491249 1137823258 /nfs/dbraw/zinc/82/32/58/1137823258.db2.gz FCTFQWKYQHVEDM-UHFFFAOYSA-N 1 2 347.484 3.600 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882573158 1137829727 /nfs/dbraw/zinc/82/97/27/1137829727.db2.gz TWOMVJLBPDLEOM-AWEZNQCLSA-N 1 2 329.297 3.564 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882574719 1137829902 /nfs/dbraw/zinc/82/99/02/1137829902.db2.gz JSFCCRQGPGDYOR-TVQRCGJNSA-N 1 2 329.297 3.800 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882574719 1137829903 /nfs/dbraw/zinc/82/99/03/1137829903.db2.gz JSFCCRQGPGDYOR-TVQRCGJNSA-N 1 2 329.297 3.800 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC2(CCOCC2)CO1 ZINC000882788473 1137834221 /nfs/dbraw/zinc/83/42/21/1137834221.db2.gz SQDUGFMUVOUIET-QGZVFWFLSA-N 1 2 326.440 3.931 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc2c(s1)CCC2 ZINC000882874579 1137836312 /nfs/dbraw/zinc/83/63/12/1137836312.db2.gz LWPAKAUYALZYLO-INIZCTEOSA-N 1 2 337.448 3.605 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1 ZINC000882947128 1137839323 /nfs/dbraw/zinc/83/93/23/1137839323.db2.gz LYEZMCLHFOBKAW-UHFFFAOYSA-N 1 2 328.460 3.929 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2n1 ZINC000130639003 1137840239 /nfs/dbraw/zinc/84/02/39/1137840239.db2.gz FSFJAKUAOQSBRC-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO Cc1nn(Cc2ccc(C)[nH+]c2C)c(C)c1NC(=O)OC(C)(C)C ZINC000883046465 1137842710 /nfs/dbraw/zinc/84/27/10/1137842710.db2.gz KQIOCNBPANTZEJ-UHFFFAOYSA-N 1 2 330.432 3.907 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000130974838 1137844553 /nfs/dbraw/zinc/84/45/53/1137844553.db2.gz OJMMPYQGLIQWQM-OAHLLOKOSA-N 1 2 348.541 3.805 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000130974838 1137844554 /nfs/dbraw/zinc/84/45/54/1137844554.db2.gz OJMMPYQGLIQWQM-OAHLLOKOSA-N 1 2 348.541 3.805 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(CNc2cc(CO)cc[nH+]2)cc1 ZINC000883148232 1137846338 /nfs/dbraw/zinc/84/63/38/1137846338.db2.gz ZNTZRZVPZKRNGL-UHFFFAOYSA-N 1 2 329.400 3.533 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc(C2OCCO2)s1 ZINC000883206822 1137848590 /nfs/dbraw/zinc/84/85/90/1137848590.db2.gz AFIFFSQDYRKJEN-UHFFFAOYSA-N 1 2 344.440 3.560 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000883266584 1137851519 /nfs/dbraw/zinc/85/15/19/1137851519.db2.gz DQSXWSLBPNKESD-AWEZNQCLSA-N 1 2 325.456 3.956 20 0 EHADLO Clc1cc(Br)cc(C2([NH2+]Cc3ncc[nH]3)CC2)c1 ZINC000883304145 1137853595 /nfs/dbraw/zinc/85/35/95/1137853595.db2.gz OCGDEYWAELJHKY-UHFFFAOYSA-N 1 2 326.625 3.605 20 0 EHADLO Brc1cccc2c1CC[C@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883312818 1137854141 /nfs/dbraw/zinc/85/41/41/1137854141.db2.gz NQEDWLXMJUTQOT-OAHLLOKOSA-N 1 2 344.256 3.895 20 0 EHADLO COCCOc1ccc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)cc1OC ZINC000883340874 1137855908 /nfs/dbraw/zinc/85/59/08/1137855908.db2.gz BGQQFYFPJVOCPR-OAHLLOKOSA-N 1 2 330.428 3.905 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cc(OC)c(OC)cc1OC ZINC000883378734 1137858172 /nfs/dbraw/zinc/85/81/72/1137858172.db2.gz WSYAYRFQOUGXPY-UHFFFAOYSA-N 1 2 348.468 3.973 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H](C1CC1)C1CCC1 ZINC000883737693 1137868569 /nfs/dbraw/zinc/86/85/69/1137868569.db2.gz HPMMKGJVVFVKMG-OALUTQOASA-N 1 2 338.455 3.502 20 0 EHADLO O=C(Nc1ccccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282833655 1137869606 /nfs/dbraw/zinc/86/96/06/1137869606.db2.gz MPMJNFVBXZUPSZ-CQSZACIVSA-N 1 2 342.418 3.770 20 0 EHADLO C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004786 1137879904 /nfs/dbraw/zinc/87/99/04/1137879904.db2.gz MDBKIKMTELDQHH-XLMAVXFVSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004786 1137879905 /nfs/dbraw/zinc/87/99/05/1137879905.db2.gz MDBKIKMTELDQHH-XLMAVXFVSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc12 ZINC000348255064 1137883656 /nfs/dbraw/zinc/88/36/56/1137883656.db2.gz MJOFRZGDWNPASI-UHFFFAOYSA-N 1 2 344.374 3.891 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC001202614605 1137885195 /nfs/dbraw/zinc/88/51/95/1137885195.db2.gz HIQZSAVISFMMMZ-HNNXBMFYSA-N 1 2 333.451 3.547 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC001202614606 1137885273 /nfs/dbraw/zinc/88/52/73/1137885273.db2.gz HIQZSAVISFMMMZ-OAHLLOKOSA-N 1 2 333.451 3.547 20 0 EHADLO CC1(CC(F)(F)F)CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC000883986049 1137887395 /nfs/dbraw/zinc/88/73/95/1137887395.db2.gz JGMWTPJRJADEAP-UHFFFAOYSA-N 1 2 349.356 3.662 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111158371 1137903790 /nfs/dbraw/zinc/90/37/90/1137903790.db2.gz ZVIUETAPCUQQID-LEWJYISDSA-N 1 2 345.446 3.998 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)[nH+]1 ZINC000331475765 1137909691 /nfs/dbraw/zinc/90/96/91/1137909691.db2.gz FTWCYCGJKIEVSD-QGZVFWFLSA-N 1 2 338.455 3.797 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cnn(C)c2)cc1Cl ZINC000331736991 1137918796 /nfs/dbraw/zinc/91/87/96/1137918796.db2.gz UFBAJGVAUJDJJQ-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cnn(C)c2)cc1Cl ZINC000331736991 1137918797 /nfs/dbraw/zinc/91/87/97/1137918797.db2.gz UFBAJGVAUJDJJQ-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000114779974 1137918883 /nfs/dbraw/zinc/91/88/83/1137918883.db2.gz RHGAKMFPYYKUDR-CQSZACIVSA-N 1 2 344.846 3.646 20 0 EHADLO CSc1ccsc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116644094 1137926722 /nfs/dbraw/zinc/92/67/22/1137926722.db2.gz DHUXJJJKYYLRPF-UHFFFAOYSA-N 1 2 348.493 3.555 20 0 EHADLO CCC(C)(C)C1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000331981119 1137927705 /nfs/dbraw/zinc/92/77/05/1137927705.db2.gz USJKHRGKTCEWAB-KLAILNCOSA-N 1 2 346.519 3.914 20 0 EHADLO COc1cccc2c1CC[C@@H]2NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000332076906 1137931040 /nfs/dbraw/zinc/93/10/40/1137931040.db2.gz XFTGCOBBPWNFEQ-INIZCTEOSA-N 1 2 325.412 3.824 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+]C(C)(C)c2nccs2)c(Cl)c1 ZINC000118848117 1137935856 /nfs/dbraw/zinc/93/58/56/1137935856.db2.gz GYOQVENWOISHKX-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000332224752 1137936468 /nfs/dbraw/zinc/93/64/68/1137936468.db2.gz WWPNJSMSWZSLLF-LRDDRELGSA-N 1 2 348.397 3.728 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000332303547 1137939071 /nfs/dbraw/zinc/93/90/71/1137939071.db2.gz IFLIGIINYNJJTD-HOTGVXAUSA-N 1 2 333.407 3.857 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000332303547 1137939072 /nfs/dbraw/zinc/93/90/72/1137939072.db2.gz IFLIGIINYNJJTD-HOTGVXAUSA-N 1 2 333.407 3.857 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC(Cc3cccnc3)CC2)c(C)[nH+]1 ZINC000332552900 1137947007 /nfs/dbraw/zinc/94/70/07/1137947007.db2.gz QWNCFBHLIWBQLI-UHFFFAOYSA-N 1 2 338.455 3.888 20 0 EHADLO O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282917474 1137954491 /nfs/dbraw/zinc/95/44/91/1137954491.db2.gz SLNZLGDWYVQEAQ-CQSZACIVSA-N 1 2 342.418 3.770 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc(F)c(C2CC2)c1 ZINC000333118642 1137955799 /nfs/dbraw/zinc/95/57/99/1137955799.db2.gz ZIOMNJKPHUDHTL-UHFFFAOYSA-N 1 2 328.391 3.558 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCS1 ZINC000121209352 1137955948 /nfs/dbraw/zinc/95/59/48/1137955948.db2.gz PRPFADLLCLBDHS-LLVKDONJSA-N 1 2 335.498 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCS1 ZINC000121209352 1137955949 /nfs/dbraw/zinc/95/59/49/1137955949.db2.gz PRPFADLLCLBDHS-LLVKDONJSA-N 1 2 335.498 3.614 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000333221906 1137958658 /nfs/dbraw/zinc/95/86/58/1137958658.db2.gz DXCDDRVIFKUNKB-IBGZPJMESA-N 1 2 338.455 3.758 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC1 ZINC000333221906 1137958659 /nfs/dbraw/zinc/95/86/59/1137958659.db2.gz DXCDDRVIFKUNKB-IBGZPJMESA-N 1 2 338.455 3.758 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1cnn(C)c1 ZINC000348329440 1137964664 /nfs/dbraw/zinc/96/46/64/1137964664.db2.gz YJQPWWKYRFGOED-CQSZACIVSA-N 1 2 326.469 3.513 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c(F)c1OC ZINC000885971015 1138029521 /nfs/dbraw/zinc/02/95/21/1138029521.db2.gz NHQIGCFYEMCHAH-UHFFFAOYSA-N 1 2 338.448 3.887 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)c2c[nH]c3ccccc23)cc1F ZINC000137559317 1138064259 /nfs/dbraw/zinc/06/42/59/1138064259.db2.gz OVJQFPFCCIWKLW-UHFFFAOYSA-N 1 2 326.371 3.630 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)c2c[nH]c3ccccc23)cc1F ZINC000137559317 1138064260 /nfs/dbraw/zinc/06/42/60/1138064260.db2.gz OVJQFPFCCIWKLW-UHFFFAOYSA-N 1 2 326.371 3.630 20 0 EHADLO CCCCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890265176 1138069690 /nfs/dbraw/zinc/06/96/90/1138069690.db2.gz MVWCNJSWTJRDMI-SFHVURJKSA-N 1 2 326.444 3.599 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890265191 1138069850 /nfs/dbraw/zinc/06/98/50/1138069850.db2.gz NGACMDPBQPOBKJ-NZSAHSFTSA-N 1 2 340.471 3.845 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H](C)C(C)C ZINC000890266045 1138070147 /nfs/dbraw/zinc/07/01/47/1138070147.db2.gz WYKLGJBSASSQDI-AEFFLSMTSA-N 1 2 328.460 3.700 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@@H](CO)c2ccccc2C)n1 ZINC000886430325 1138075816 /nfs/dbraw/zinc/07/58/16/1138075816.db2.gz KGMGCQQCTPHPJH-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)[C@@H](CO)c2ccccc2C)n1 ZINC000886430325 1138075817 /nfs/dbraw/zinc/07/58/17/1138075817.db2.gz KGMGCQQCTPHPJH-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000886439222 1138077831 /nfs/dbraw/zinc/07/78/31/1138077831.db2.gz RTRKGQSCMOUQMQ-QGZVFWFLSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000886439222 1138077833 /nfs/dbraw/zinc/07/78/33/1138077833.db2.gz RTRKGQSCMOUQMQ-QGZVFWFLSA-N 1 2 339.464 3.679 20 0 EHADLO CO[C@H]1CCC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000886584616 1138099328 /nfs/dbraw/zinc/09/93/28/1138099328.db2.gz SBMVIOORBXXSDX-SJORKVTESA-N 1 2 329.444 3.722 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)n1 ZINC000886699329 1138118310 /nfs/dbraw/zinc/11/83/10/1138118310.db2.gz ZDJZKTOPBZYEPO-AWEZNQCLSA-N 1 2 334.489 3.632 20 0 EHADLO CCCCc1noc(C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)n1 ZINC000886699329 1138118312 /nfs/dbraw/zinc/11/83/12/1138118312.db2.gz ZDJZKTOPBZYEPO-AWEZNQCLSA-N 1 2 334.489 3.632 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnccc1Cl ZINC001137231065 1138174177 /nfs/dbraw/zinc/17/41/77/1138174177.db2.gz FDHUEBFLGRRFKP-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnccc1Cl ZINC001137231065 1138174180 /nfs/dbraw/zinc/17/41/80/1138174180.db2.gz FDHUEBFLGRRFKP-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnccc1Cl ZINC001137231980 1138182054 /nfs/dbraw/zinc/18/20/54/1138182054.db2.gz ZIQXIGUIGZUNNI-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnccc1Cl ZINC001137231980 1138182055 /nfs/dbraw/zinc/18/20/55/1138182055.db2.gz ZIQXIGUIGZUNNI-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cnccc4Cl)C[C@H]3O2)n1 ZINC001137232461 1138182136 /nfs/dbraw/zinc/18/21/36/1138182136.db2.gz QYJSXTLLTLUFND-APHBMKBZSA-N 1 2 349.887 3.852 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnccc4Cl)C[C@H]3O2)n1 ZINC001137232461 1138182137 /nfs/dbraw/zinc/18/21/37/1138182137.db2.gz QYJSXTLLTLUFND-APHBMKBZSA-N 1 2 349.887 3.852 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234791 1138186284 /nfs/dbraw/zinc/18/62/84/1138186284.db2.gz LWXXMVFSGHBZQM-AWEZNQCLSA-N 1 2 328.412 3.842 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234791 1138186285 /nfs/dbraw/zinc/18/62/85/1138186285.db2.gz LWXXMVFSGHBZQM-AWEZNQCLSA-N 1 2 328.412 3.842 20 0 EHADLO O=C(CCCc1cc(Cl)sc1Cl)NCCCn1cc[nH+]c1 ZINC000086964321 1138187646 /nfs/dbraw/zinc/18/76/46/1138187646.db2.gz QDHJZEDRGQVLOV-UHFFFAOYSA-N 1 2 346.283 3.781 20 0 EHADLO O=C(C[C@H]1CCCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000087122204 1138188781 /nfs/dbraw/zinc/18/87/81/1138188781.db2.gz ANNLADBZBLRRSW-GOSISDBHSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)sc1C ZINC000088602972 1138195055 /nfs/dbraw/zinc/19/50/55/1138195055.db2.gz HTMRJNUMVWWYBE-QGZVFWFLSA-N 1 2 343.496 3.544 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)sc1C ZINC000088602972 1138195056 /nfs/dbraw/zinc/19/50/56/1138195056.db2.gz HTMRJNUMVWWYBE-QGZVFWFLSA-N 1 2 343.496 3.544 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)CCCF)cs2)c1 ZINC000887140061 1138221049 /nfs/dbraw/zinc/22/10/49/1138221049.db2.gz OZMYIEFQEXYTBR-UHFFFAOYSA-N 1 2 349.475 3.733 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)CCCF)cs2)c1 ZINC000887140061 1138221050 /nfs/dbraw/zinc/22/10/50/1138221050.db2.gz OZMYIEFQEXYTBR-UHFFFAOYSA-N 1 2 349.475 3.733 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000091955876 1138223821 /nfs/dbraw/zinc/22/38/21/1138223821.db2.gz SUHYHZJGRGPRDS-UHFFFAOYSA-N 1 2 340.254 3.655 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000091955876 1138223823 /nfs/dbraw/zinc/22/38/23/1138223823.db2.gz SUHYHZJGRGPRDS-UHFFFAOYSA-N 1 2 340.254 3.655 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000093080928 1138233673 /nfs/dbraw/zinc/23/36/73/1138233673.db2.gz OYMAUIWVXQOSBF-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000093080928 1138233674 /nfs/dbraw/zinc/23/36/74/1138233674.db2.gz OYMAUIWVXQOSBF-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnccc1Cl ZINC001137239200 1138242392 /nfs/dbraw/zinc/24/23/92/1138242392.db2.gz LEHOUJGYBWGFBE-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnccc1Cl ZINC001137239200 1138242394 /nfs/dbraw/zinc/24/23/94/1138242394.db2.gz LEHOUJGYBWGFBE-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121847027 1138251465 /nfs/dbraw/zinc/25/14/65/1138251465.db2.gz SWKOTWQGBWSYJU-OAHLLOKOSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121847027 1138251466 /nfs/dbraw/zinc/25/14/66/1138251466.db2.gz SWKOTWQGBWSYJU-OAHLLOKOSA-N 1 2 342.464 3.732 20 0 EHADLO CN(C(=O)C[N@H+](Cc1ccncc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000122415404 1138258101 /nfs/dbraw/zinc/25/81/01/1138258101.db2.gz OUCAUYCRYOOREV-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1ccncc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000122415404 1138258102 /nfs/dbraw/zinc/25/81/02/1138258102.db2.gz OUCAUYCRYOOREV-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO CCCCOc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000122742239 1138261357 /nfs/dbraw/zinc/26/13/57/1138261357.db2.gz HSLSMCZJYWVQKJ-UHFFFAOYSA-N 1 2 330.432 3.616 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000282981554 1138279025 /nfs/dbraw/zinc/27/90/25/1138279025.db2.gz DLZGUHVZEHRVHR-WDEREUQCSA-N 1 2 330.457 3.607 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCCC4)OC(C)(C)C3)o2)cc1 ZINC000333378902 1138283158 /nfs/dbraw/zinc/28/31/58/1138283158.db2.gz XDPPVYMALLKSFW-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCCC4)OC(C)(C)C3)o2)cc1 ZINC000333378902 1138283162 /nfs/dbraw/zinc/28/31/62/1138283162.db2.gz XDPPVYMALLKSFW-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000124349897 1138284832 /nfs/dbraw/zinc/28/48/32/1138284832.db2.gz ZWVSLIWVXMWVJY-RHSMWYFYSA-N 1 2 343.858 3.678 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000125830280 1138317547 /nfs/dbraw/zinc/31/75/47/1138317547.db2.gz RPBGAUCOWJXEMO-UHFFFAOYSA-N 1 2 340.349 3.542 20 0 EHADLO O=C(CC[C@@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333675332 1138318552 /nfs/dbraw/zinc/31/85/52/1138318552.db2.gz DIUFZYBTDICMAN-INIZCTEOSA-N 1 2 339.439 3.784 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000126095415 1138324161 /nfs/dbraw/zinc/32/41/61/1138324161.db2.gz FUOBGSLVJMHVBK-DZGCQCFKSA-N 1 2 329.469 3.547 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126609986 1138333629 /nfs/dbraw/zinc/33/36/29/1138333629.db2.gz HQCRYXQMKUYDLR-LDRXLRCLSA-N 1 2 327.403 3.535 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127542918 1138361585 /nfs/dbraw/zinc/36/15/85/1138361585.db2.gz OYWYHOCACXNUJF-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127542918 1138361588 /nfs/dbraw/zinc/36/15/88/1138361588.db2.gz OYWYHOCACXNUJF-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000263785128 1138365011 /nfs/dbraw/zinc/36/50/11/1138365011.db2.gz WQAUNPDXANPCJJ-CYBMUJFWSA-N 1 2 332.473 3.984 20 0 EHADLO CC(C)c1ccc(OCCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000263803241 1138370264 /nfs/dbraw/zinc/37/02/64/1138370264.db2.gz MINFCOKFPOSCQL-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000263935673 1138395143 /nfs/dbraw/zinc/39/51/43/1138395143.db2.gz XDRAUGJGFZRADD-UHFFFAOYSA-N 1 2 349.438 3.755 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CCCC2)c1 ZINC000263935986 1138395152 /nfs/dbraw/zinc/39/51/52/1138395152.db2.gz GJJFWBULPWPDDB-KRWDZBQOSA-N 1 2 337.467 3.936 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263959162 1138398031 /nfs/dbraw/zinc/39/80/31/1138398031.db2.gz VJLQRPZVAKLFND-GFCCVEGCSA-N 1 2 342.830 3.575 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000129409842 1138411120 /nfs/dbraw/zinc/41/11/20/1138411120.db2.gz DASBWVYIOOTNMF-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264121105 1138423286 /nfs/dbraw/zinc/42/32/86/1138423286.db2.gz HDRRRCXFTNUJEW-MRXNPFEDSA-N 1 2 340.471 3.585 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336965917 1138436793 /nfs/dbraw/zinc/43/67/93/1138436793.db2.gz JWAXBZCZOBRUNK-NLPFYKDJSA-N 1 2 336.435 3.645 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000336973946 1138439258 /nfs/dbraw/zinc/43/92/58/1138439258.db2.gz SQSQQHPLRQWGAV-MRXNPFEDSA-N 1 2 337.467 3.783 20 0 EHADLO CCCN(CCC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264215398 1138445032 /nfs/dbraw/zinc/44/50/32/1138445032.db2.gz IHOJYMSWWQTDRA-INIZCTEOSA-N 1 2 333.476 3.734 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000264262586 1138458049 /nfs/dbraw/zinc/45/80/49/1138458049.db2.gz RZMUWOGRXQCBKD-HNNXBMFYSA-N 1 2 331.460 3.534 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337095088 1138464973 /nfs/dbraw/zinc/46/49/73/1138464973.db2.gz PSZBGEIOJWHOLL-UHFFFAOYSA-N 1 2 333.435 3.984 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C=C(C2CC2)C2CC2)c1)[NH+]1CCOCC1 ZINC000264307961 1138470236 /nfs/dbraw/zinc/47/02/36/1138470236.db2.gz YLKLUQMIYIOLLR-HNNXBMFYSA-N 1 2 340.467 3.765 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000887581675 1138473616 /nfs/dbraw/zinc/47/36/16/1138473616.db2.gz CEBNCEFWINBTLC-UHFFFAOYSA-N 1 2 336.407 3.644 20 0 EHADLO Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000337328532 1138534915 /nfs/dbraw/zinc/53/49/15/1138534915.db2.gz RKSPJIBWFSJDSB-OAQYLSRUSA-N 1 2 349.409 3.892 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)c(OCC(F)(F)F)c1 ZINC000132072241 1138560004 /nfs/dbraw/zinc/56/00/04/1138560004.db2.gz UZTRWDHRYBUIAW-UHFFFAOYSA-N 1 2 347.768 3.613 20 0 EHADLO CO[C@H]1Cc2ccccc2N(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000337421813 1138564473 /nfs/dbraw/zinc/56/44/73/1138564473.db2.gz RDWDDWPIJWISPA-FQEVSTJZSA-N 1 2 333.435 3.509 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000337437231 1138569410 /nfs/dbraw/zinc/56/94/10/1138569410.db2.gz IKOIFFVRZCIQCF-ZIAGYGMSSA-N 1 2 338.521 3.883 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000337437231 1138569412 /nfs/dbraw/zinc/56/94/12/1138569412.db2.gz IKOIFFVRZCIQCF-ZIAGYGMSSA-N 1 2 338.521 3.883 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(Cl)cc1 ZINC000337460391 1138575758 /nfs/dbraw/zinc/57/57/58/1138575758.db2.gz ZZJVBGAAIFVOAF-SGTLLEGYSA-N 1 2 330.863 3.761 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444753 1138581289 /nfs/dbraw/zinc/58/12/89/1138581289.db2.gz FQPBDNGCUURCEA-CABCVRRESA-N 1 2 337.423 3.526 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444753 1138581290 /nfs/dbraw/zinc/58/12/90/1138581290.db2.gz FQPBDNGCUURCEA-CABCVRRESA-N 1 2 337.423 3.526 20 0 EHADLO CO[C@@H]1Cc2ccccc2N(Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000337539823 1138599605 /nfs/dbraw/zinc/59/96/05/1138599605.db2.gz JULVEICNYAKPMC-MRXNPFEDSA-N 1 2 325.437 3.512 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264683599 1138603647 /nfs/dbraw/zinc/60/36/47/1138603647.db2.gz ANERPJZMVOSILH-HNNXBMFYSA-N 1 2 342.443 3.918 20 0 EHADLO O=C(Nc1ccc2c(c1)CCCO2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000337586870 1138613827 /nfs/dbraw/zinc/61/38/27/1138613827.db2.gz FUKWAQWGZPXYTK-UHFFFAOYSA-N 1 2 333.391 3.509 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337652208 1138634255 /nfs/dbraw/zinc/63/42/55/1138634255.db2.gz LTKFKXICWGTDGH-POAQFYNOSA-N 1 2 349.478 3.544 20 0 EHADLO CC(C)(C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337694640 1138645254 /nfs/dbraw/zinc/64/52/54/1138645254.db2.gz XGAUBNWJZWNNGU-OAHLLOKOSA-N 1 2 332.492 3.545 20 0 EHADLO Cc1nc(N2CCC(N3CCc4cc(F)ccc43)CC2)c(C)c(C)[nH+]1 ZINC000337781096 1138666087 /nfs/dbraw/zinc/66/60/87/1138666087.db2.gz BDUHYAHHKBVMIO-UHFFFAOYSA-N 1 2 340.446 3.572 20 0 EHADLO CC(C)C[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000264928652 1138678594 /nfs/dbraw/zinc/67/85/94/1138678594.db2.gz MYINWUOFJXSCTL-UHFFFAOYSA-N 1 2 338.249 3.511 20 0 EHADLO CC(C)C[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000264928652 1138678595 /nfs/dbraw/zinc/67/85/95/1138678595.db2.gz MYINWUOFJXSCTL-UHFFFAOYSA-N 1 2 338.249 3.511 20 0 EHADLO O=C(Cc1ccc(Cl)s1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000337888337 1138691930 /nfs/dbraw/zinc/69/19/30/1138691930.db2.gz FOJMEGMJEWPJJR-UHFFFAOYSA-N 1 2 345.855 3.505 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1C ZINC000348463607 1138695722 /nfs/dbraw/zinc/69/57/22/1138695722.db2.gz JBEHWELZUBIUSO-UHFFFAOYSA-N 1 2 346.434 3.688 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061968 1138716099 /nfs/dbraw/zinc/71/60/99/1138716099.db2.gz SVQXGIVDKIXIMX-KGLIPLIRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061968 1138716101 /nfs/dbraw/zinc/71/61/01/1138716101.db2.gz SVQXGIVDKIXIMX-KGLIPLIRSA-N 1 2 345.270 3.557 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C(C)C ZINC000338039900 1138731591 /nfs/dbraw/zinc/73/15/91/1138731591.db2.gz GNKGPFUHSYADJB-UHFFFAOYSA-N 1 2 338.411 3.858 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2ccccc2)cs1)C1CC1 ZINC000265110673 1138731841 /nfs/dbraw/zinc/73/18/41/1138731841.db2.gz HLCZEYSYQHAGSJ-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338235198 1138796761 /nfs/dbraw/zinc/79/67/61/1138796761.db2.gz QTDQQHGPDOLQAR-MRXNPFEDSA-N 1 2 328.460 3.886 20 0 EHADLO O=C(c1ccccc1Cl)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338254780 1138802462 /nfs/dbraw/zinc/80/24/62/1138802462.db2.gz FDPTWRCROJEJQJ-INIZCTEOSA-N 1 2 335.234 3.780 20 0 EHADLO COCC1=CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000338278329 1138812963 /nfs/dbraw/zinc/81/29/63/1138812963.db2.gz DWDBPRFJICSJGE-LBPRGKRZSA-N 1 2 333.432 3.684 20 0 EHADLO COCC1=CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000338278329 1138812969 /nfs/dbraw/zinc/81/29/69/1138812969.db2.gz DWDBPRFJICSJGE-LBPRGKRZSA-N 1 2 333.432 3.684 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274199074 1138838110 /nfs/dbraw/zinc/83/81/10/1138838110.db2.gz JCLDJYXRFYXWDZ-UHFFFAOYSA-N 1 2 344.421 3.586 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274199074 1138838117 /nfs/dbraw/zinc/83/81/17/1138838117.db2.gz JCLDJYXRFYXWDZ-UHFFFAOYSA-N 1 2 344.421 3.586 20 0 EHADLO CCC[N@@H+](Cc1csc(CC)n1)C[C@H]1COc2ccccc2O1 ZINC000338386555 1138879963 /nfs/dbraw/zinc/87/99/63/1138879963.db2.gz ZIYZBAMVHGDBLT-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO CCC[N@H+](Cc1csc(CC)n1)C[C@H]1COc2ccccc2O1 ZINC000338386555 1138879972 /nfs/dbraw/zinc/87/99/72/1138879972.db2.gz ZIYZBAMVHGDBLT-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)nc1C ZINC000348489447 1138935615 /nfs/dbraw/zinc/93/56/15/1138935615.db2.gz HAIKKQQIFKJOPU-JTQLQIEISA-N 1 2 340.395 3.757 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150867144 1138988541 /nfs/dbraw/zinc/98/85/41/1138988541.db2.gz SWVLDKIVFHHTKA-LSDHHAIUSA-N 1 2 349.438 3.638 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1)CCC2 ZINC000152653604 1139102628 /nfs/dbraw/zinc/10/26/28/1139102628.db2.gz RNBMLJYKMNWVOC-OAHLLOKOSA-N 1 2 329.469 3.653 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1)CCC2 ZINC000152653604 1139102630 /nfs/dbraw/zinc/10/26/30/1139102630.db2.gz RNBMLJYKMNWVOC-OAHLLOKOSA-N 1 2 329.469 3.653 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC=CCCC1 ZINC000890044373 1139304737 /nfs/dbraw/zinc/30/47/37/1139304737.db2.gz CXRXJHZXMOIGEM-KGLIPLIRSA-N 1 2 329.366 3.629 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890258411 1139333022 /nfs/dbraw/zinc/33/30/22/1139333022.db2.gz GCBDBVZKAQCHOU-FUHWJXTLSA-N 1 2 328.460 3.702 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449708 1139421527 /nfs/dbraw/zinc/42/15/27/1139421527.db2.gz RDZICUCOBPBMRZ-ZFWWWQNUSA-N 1 2 347.484 3.735 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449708 1139421533 /nfs/dbraw/zinc/42/15/33/1139421533.db2.gz RDZICUCOBPBMRZ-ZFWWWQNUSA-N 1 2 347.484 3.735 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000175248864 1139475411 /nfs/dbraw/zinc/47/54/11/1139475411.db2.gz FHORNJGTOAETNL-CHWSQXEVSA-N 1 2 340.452 3.678 20 0 EHADLO CC(Cl)(Cl)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000777303725 1139533821 /nfs/dbraw/zinc/53/38/21/1139533821.db2.gz GRJDCRNDUQREMD-CYBMUJFWSA-N 1 2 349.689 3.787 20 0 EHADLO CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000176503222 1139561916 /nfs/dbraw/zinc/56/19/16/1139561916.db2.gz MWJDHLRNANQHJL-HOTGVXAUSA-N 1 2 345.487 3.750 20 0 EHADLO CCCCn1c(SCCc2cccnc2)nnc1[C@H](CC)[NH+](C)C ZINC000176539919 1139563484 /nfs/dbraw/zinc/56/34/84/1139563484.db2.gz YFAMJBKPMCUEAS-INIZCTEOSA-N 1 2 347.532 3.821 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccn3)CC2)c1 ZINC000177121226 1139598572 /nfs/dbraw/zinc/59/85/72/1139598572.db2.gz OFEFQWSEJDZRPP-IAGOWNOFSA-N 1 2 325.456 3.530 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(-n3cccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000177610340 1139628641 /nfs/dbraw/zinc/62/86/41/1139628641.db2.gz BHZJWIIBPYKJDW-QFBILLFUSA-N 1 2 349.438 3.789 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000178098103 1139670177 /nfs/dbraw/zinc/67/01/77/1139670177.db2.gz GGTCEGSYWGHSMY-KRWDZBQOSA-N 1 2 332.411 3.576 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(C)s2)c(OC(F)F)c1 ZINC000179381393 1139753946 /nfs/dbraw/zinc/75/39/46/1139753946.db2.gz FPSJBPCZXOIEAS-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(C)s2)c(OC(F)F)c1 ZINC000179381393 1139753952 /nfs/dbraw/zinc/75/39/52/1139753952.db2.gz FPSJBPCZXOIEAS-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccco1 ZINC000180459622 1139836513 /nfs/dbraw/zinc/83/65/13/1139836513.db2.gz WFQRDUAOJJPWOQ-HNNXBMFYSA-N 1 2 334.441 3.531 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3o2)oc1C ZINC000180888032 1139870839 /nfs/dbraw/zinc/87/08/39/1139870839.db2.gz DSPPOMFRKITMFP-NSHDSACASA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3o2)oc1C ZINC000180888032 1139870847 /nfs/dbraw/zinc/87/08/47/1139870847.db2.gz DSPPOMFRKITMFP-NSHDSACASA-N 1 2 328.368 3.709 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181322134 1139900241 /nfs/dbraw/zinc/90/02/41/1139900241.db2.gz JIVCGJLGWLQRAR-OLZOCXBDSA-N 1 2 344.415 3.561 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cs1 ZINC000181865223 1139937731 /nfs/dbraw/zinc/93/77/31/1139937731.db2.gz KONCUKUKXFWHRV-CYBMUJFWSA-N 1 2 344.484 3.553 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182314365 1139964566 /nfs/dbraw/zinc/96/45/66/1139964566.db2.gz INGUEEHIPLOFBB-HUUCEWRRSA-N 1 2 348.454 3.918 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000182492001 1139976084 /nfs/dbraw/zinc/97/60/84/1139976084.db2.gz UJDYYOKQAGCNBW-ZDUSSCGKSA-N 1 2 327.428 3.893 20 0 EHADLO COc1cccc2c1CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000182723675 1139988204 /nfs/dbraw/zinc/98/82/04/1139988204.db2.gz CQJMBMLXASRLIU-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000182723675 1139988207 /nfs/dbraw/zinc/98/82/07/1139988207.db2.gz CQJMBMLXASRLIU-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000182953315 1140003253 /nfs/dbraw/zinc/00/32/53/1140003253.db2.gz DABCURRGQHNNDK-FATZIPQQSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000182953315 1140003260 /nfs/dbraw/zinc/00/32/60/1140003260.db2.gz DABCURRGQHNNDK-FATZIPQQSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000183146931 1140015831 /nfs/dbraw/zinc/01/58/31/1140015831.db2.gz UZWIMCNYBXSAMC-FATZIPQQSA-N 1 2 329.469 3.592 20 0 EHADLO Cn1c(NCc2nccn2CC(F)(F)F)[nH+]c2cccc(Cl)c21 ZINC000184311553 1140095091 /nfs/dbraw/zinc/09/50/91/1140095091.db2.gz TUZHRTGFEQXUIG-UHFFFAOYSA-N 1 2 343.740 3.598 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)o1 ZINC000184775685 1140120076 /nfs/dbraw/zinc/12/00/76/1140120076.db2.gz HGHADYCFABUENS-YJBOKZPZSA-N 1 2 344.455 3.763 20 0 EHADLO C[C@H]1CCN(C(=O)c2scnc2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000185125260 1140136851 /nfs/dbraw/zinc/13/68/51/1140136851.db2.gz DDFCBADFDLHDEG-DZGCQCFKSA-N 1 2 344.484 3.721 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(C(F)F)cc2)cs1 ZINC000185172209 1140138996 /nfs/dbraw/zinc/13/89/96/1140138996.db2.gz IMFXNSAKUQNQOE-UHFFFAOYSA-N 1 2 339.411 3.743 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)s1 ZINC000186434285 1140204222 /nfs/dbraw/zinc/20/42/22/1140204222.db2.gz NZNIQEXORBQYBP-CYBMUJFWSA-N 1 2 342.468 3.858 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000189166711 1140324066 /nfs/dbraw/zinc/32/40/66/1140324066.db2.gz FUMKULUJOXFYDU-RHSMWYFYSA-N 1 2 329.444 3.508 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)c(F)c1 ZINC000190434196 1140403833 /nfs/dbraw/zinc/40/38/33/1140403833.db2.gz GPLLQZBDRMUWEE-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)cn1 ZINC000190529388 1140408633 /nfs/dbraw/zinc/40/86/33/1140408633.db2.gz ZIHBAMOIGOZONZ-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000191561222 1140472446 /nfs/dbraw/zinc/47/24/46/1140472446.db2.gz MEPGOFDDLYAJPU-OAHLLOKOSA-N 1 2 334.851 3.690 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1C ZINC000191778568 1140484227 /nfs/dbraw/zinc/48/42/27/1140484227.db2.gz OJNBWDHWINVMPE-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](SC)c1ccccc1 ZINC000192246152 1140514056 /nfs/dbraw/zinc/51/40/56/1140514056.db2.gz UVLDJWPLQBTNCR-GOSISDBHSA-N 1 2 345.512 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCc2occc21 ZINC000192315869 1140522154 /nfs/dbraw/zinc/52/21/54/1140522154.db2.gz OUIHYELKHADZEF-INIZCTEOSA-N 1 2 344.459 3.538 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)c1ccccc1OC(F)F ZINC000192726372 1140547109 /nfs/dbraw/zinc/54/71/09/1140547109.db2.gz PSYFPQDGFWVBGI-AAEUAGOBSA-N 1 2 337.370 3.894 20 0 EHADLO COC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000193279986 1140569427 /nfs/dbraw/zinc/56/94/27/1140569427.db2.gz BYYTZCBDCXUSIR-ZDUSSCGKSA-N 1 2 347.768 3.576 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000193495559 1140577867 /nfs/dbraw/zinc/57/78/67/1140577867.db2.gz ZTHSTULKHPOMOT-GOSISDBHSA-N 1 2 342.393 3.650 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000193723039 1140584670 /nfs/dbraw/zinc/58/46/70/1140584670.db2.gz SCYGEQLIBOPOCL-UHFFFAOYSA-N 1 2 325.456 3.630 20 0 EHADLO OC1CC[NH+](c2ccc(NCCSCc3ccccc3)cc2)CC1 ZINC000193896525 1140589609 /nfs/dbraw/zinc/58/96/09/1140589609.db2.gz SSOWULGNDDAOMM-UHFFFAOYSA-N 1 2 342.508 3.993 20 0 EHADLO CCCCOc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1Cl ZINC000194218079 1140602268 /nfs/dbraw/zinc/60/22/68/1140602268.db2.gz QGCYRLPFPSAXDQ-UHFFFAOYSA-N 1 2 349.862 3.501 20 0 EHADLO COCc1nc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC000266206805 1140655230 /nfs/dbraw/zinc/65/52/30/1140655230.db2.gz MUUOTJBYXQNWTR-UHFFFAOYSA-N 1 2 346.374 3.520 20 0 EHADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000266430002 1140686078 /nfs/dbraw/zinc/68/60/78/1140686078.db2.gz UEXKVNPDMPMDPG-UHFFFAOYSA-N 1 2 337.402 3.629 20 0 EHADLO Cc1cscc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267289419 1140775642 /nfs/dbraw/zinc/77/56/42/1140775642.db2.gz ZDWXLYKAUWJYOG-CQSZACIVSA-N 1 2 330.453 3.702 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccncc1 ZINC000267874804 1140845973 /nfs/dbraw/zinc/84/59/73/1140845973.db2.gz DQNCWRPPOBZDJW-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccncc1 ZINC000267874804 1140845981 /nfs/dbraw/zinc/84/59/81/1140845981.db2.gz DQNCWRPPOBZDJW-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000268104932 1140882924 /nfs/dbraw/zinc/88/29/24/1140882924.db2.gz FKQUUYMNHYQFPP-GFCCVEGCSA-N 1 2 340.349 3.588 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(Br)c2)s1 ZINC000268163928 1140894049 /nfs/dbraw/zinc/89/40/49/1140894049.db2.gz DYXDPLJJEURROD-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO C[C@H]1CCN(c2nc(-c3cccc(Cl)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268292905 1140915715 /nfs/dbraw/zinc/91/57/15/1140915715.db2.gz VGRHLOXTMYHANT-SWLSCSKDSA-N 1 2 343.818 3.674 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268350096 1140925085 /nfs/dbraw/zinc/92/50/85/1140925085.db2.gz DEEPEYJBCKHLBJ-BEFAXECRSA-N 1 2 339.439 3.538 20 0 EHADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000268363217 1140927083 /nfs/dbraw/zinc/92/70/83/1140927083.db2.gz USAIRZIOBSUPEN-MRXNPFEDSA-N 1 2 326.444 3.599 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000268370899 1140928548 /nfs/dbraw/zinc/92/85/48/1140928548.db2.gz KGLDHCMWJIXHRN-DOTOQJQBSA-N 1 2 343.496 3.702 20 0 EHADLO CCOc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000268446858 1140939823 /nfs/dbraw/zinc/93/98/23/1140939823.db2.gz ZGEDEBSQMWOQOO-RHSMWYFYSA-N 1 2 342.443 3.705 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1nnc2n1CCCCC2 ZINC000268883793 1141017906 /nfs/dbraw/zinc/01/79/06/1141017906.db2.gz XFYRXEMZLDWKQO-GUYCJALGSA-N 1 2 346.450 3.954 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)CCCO2 ZINC000269088997 1141063772 /nfs/dbraw/zinc/06/37/72/1141063772.db2.gz PZVDUVBPVPIZMR-LRDDRELGSA-N 1 2 348.468 3.863 20 0 EHADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2csc(C)n2)cc1 ZINC000270192349 1141190554 /nfs/dbraw/zinc/19/05/54/1141190554.db2.gz IHLJHZRBDKVNNG-NWDGAFQWSA-N 1 2 338.498 3.657 20 0 EHADLO Cc1cc([C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000270370125 1141213898 /nfs/dbraw/zinc/21/38/98/1141213898.db2.gz LTIXMFFYONVYSC-SFHVURJKSA-N 1 2 344.434 3.513 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271046188 1141299243 /nfs/dbraw/zinc/29/92/43/1141299243.db2.gz RDJWICMOEGRKBT-GFCCVEGCSA-N 1 2 342.468 3.901 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271046188 1141299247 /nfs/dbraw/zinc/29/92/47/1141299247.db2.gz RDJWICMOEGRKBT-GFCCVEGCSA-N 1 2 342.468 3.901 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc(OC)c1 ZINC000271084400 1141305295 /nfs/dbraw/zinc/30/52/95/1141305295.db2.gz YKHIKOUSAMDBLG-QGZVFWFLSA-N 1 2 348.468 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc(OC)c1 ZINC000271084400 1141305300 /nfs/dbraw/zinc/30/53/00/1141305300.db2.gz YKHIKOUSAMDBLG-QGZVFWFLSA-N 1 2 348.468 3.644 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(Cl)s1 ZINC000271355505 1141350297 /nfs/dbraw/zinc/35/02/97/1141350297.db2.gz ZDBLWYZZNRNTHD-JTQLQIEISA-N 1 2 333.844 3.981 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000271355505 1141350305 /nfs/dbraw/zinc/35/03/05/1141350305.db2.gz ZDBLWYZZNRNTHD-JTQLQIEISA-N 1 2 333.844 3.981 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000274215027 1141486398 /nfs/dbraw/zinc/48/63/98/1141486398.db2.gz NJXDWBPZDYFFSM-NWDGAFQWSA-N 1 2 347.488 3.788 20 0 EHADLO CCC1(CC)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCS1 ZINC000274353366 1141501678 /nfs/dbraw/zinc/50/16/78/1141501678.db2.gz KMJRFHZFIUYUDZ-UHFFFAOYSA-N 1 2 343.496 3.679 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Br)ccc3F)ccc2[nH+]1 ZINC000339119492 1141502587 /nfs/dbraw/zinc/50/25/87/1141502587.db2.gz SYCHLWWKZJXPSW-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274373974 1141507811 /nfs/dbraw/zinc/50/78/11/1141507811.db2.gz LKQXEQDROQCJCL-VIFPVBQESA-N 1 2 346.422 3.871 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000339169137 1141516545 /nfs/dbraw/zinc/51/65/45/1141516545.db2.gz MYHHGBMQSZPCOC-UHFFFAOYSA-N 1 2 339.361 3.831 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH+]cn1C ZINC000339176732 1141518872 /nfs/dbraw/zinc/51/88/72/1141518872.db2.gz KTIYAKKVWPSTHK-MRXNPFEDSA-N 1 2 345.512 3.657 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339185073 1141521857 /nfs/dbraw/zinc/52/18/57/1141521857.db2.gz XJKCDOSFTKYWFC-UHFFFAOYSA-N 1 2 342.402 3.974 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1F ZINC000348542627 1141549411 /nfs/dbraw/zinc/54/94/11/1141549411.db2.gz DEZIBZZNXFWODU-WMZOPIPTSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1F ZINC000348542627 1141549416 /nfs/dbraw/zinc/54/94/16/1141549416.db2.gz DEZIBZZNXFWODU-WMZOPIPTSA-N 1 2 349.377 3.605 20 0 EHADLO O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348650574 1141562364 /nfs/dbraw/zinc/56/23/64/1141562364.db2.gz YORKLEUIXRKNNS-HXUWFJFHSA-N 1 2 331.419 3.796 20 0 EHADLO CC(C)c1csc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000348797212 1141580893 /nfs/dbraw/zinc/58/08/93/1141580893.db2.gz FWUDTFPWTTYQTP-ZDUSSCGKSA-N 1 2 329.469 3.652 20 0 EHADLO CC(C)c1csc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000348797212 1141580895 /nfs/dbraw/zinc/58/08/95/1141580895.db2.gz FWUDTFPWTTYQTP-ZDUSSCGKSA-N 1 2 329.469 3.652 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3ccc(Cl)nc3Cl)CC2)n[nH]1 ZINC000283311626 1141595510 /nfs/dbraw/zinc/59/55/10/1141595510.db2.gz ZBELFBSXIFSZDS-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3ccc(Cl)nc3Cl)CC2)[nH]n1 ZINC000283311626 1141595513 /nfs/dbraw/zinc/59/55/13/1141595513.db2.gz ZBELFBSXIFSZDS-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Clc1ccc(-c2noc(C[N@@H+]3CCOc4ccccc4C3)n2)cc1 ZINC000067563301 215163405 /nfs/dbraw/zinc/16/34/05/215163405.db2.gz PKBFFKKSNJZUOL-UHFFFAOYSA-N 1 2 341.798 3.785 20 0 EHADLO Clc1ccc(-c2noc(C[N@H+]3CCOc4ccccc4C3)n2)cc1 ZINC000067563301 215163409 /nfs/dbraw/zinc/16/34/09/215163409.db2.gz PKBFFKKSNJZUOL-UHFFFAOYSA-N 1 2 341.798 3.785 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC000069296538 215375345 /nfs/dbraw/zinc/37/53/45/215375345.db2.gz KMLAHNHOGQOQGV-UHFFFAOYSA-N 1 2 329.469 3.998 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000038039398 213195159 /nfs/dbraw/zinc/19/51/59/213195159.db2.gz KOUYBWCDZDGDDB-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022337234 212292166 /nfs/dbraw/zinc/29/21/66/212292166.db2.gz SQGNETKFPNXNSE-LJQANCHMSA-N 1 2 328.843 3.594 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)c1cc2cc(Br)ccc2o1 ZINC000037017169 525665998 /nfs/dbraw/zinc/66/59/98/525665998.db2.gz NVABXMOAJKCHDK-NXEZZACHSA-N 1 2 349.232 3.736 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363383599 527210094 /nfs/dbraw/zinc/21/00/94/527210094.db2.gz WLTINELEXPDLCL-NSHDSACASA-N 1 2 338.238 3.665 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(C)o1 ZINC000583621828 564018236 /nfs/dbraw/zinc/01/82/36/564018236.db2.gz YGHOARGUOMNZAW-QGZVFWFLSA-N 1 2 345.443 3.901 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(C)o1 ZINC000583621828 564018237 /nfs/dbraw/zinc/01/82/37/564018237.db2.gz YGHOARGUOMNZAW-QGZVFWFLSA-N 1 2 345.443 3.901 20 0 EHADLO Cc1nc(N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)c(C)c(C)[nH+]1 ZINC000351293887 564151799 /nfs/dbraw/zinc/15/17/99/564151799.db2.gz YLEKUBWLIAQTJE-LBPRGKRZSA-N 1 2 339.365 3.528 20 0 EHADLO COc1cc(C)[nH+]c(CS[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826178597 609183379 /nfs/dbraw/zinc/18/33/79/609183379.db2.gz DRNLAMISAJXBPN-GFCCVEGCSA-N 1 2 341.440 3.573 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531028 609324000 /nfs/dbraw/zinc/32/40/00/609324000.db2.gz OBKKIEDNUGXFOL-ZJUUUORDSA-N 1 2 347.344 3.696 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000248607393 1032058824 /nfs/dbraw/zinc/05/88/24/1032058824.db2.gz GIXVQLVXPGOQGK-AHCXZYCDSA-N 1 2 348.487 3.504 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000248607393 1032058840 /nfs/dbraw/zinc/05/88/40/1032058840.db2.gz GIXVQLVXPGOQGK-AHCXZYCDSA-N 1 2 348.487 3.504 20 0 EHADLO Cc1cn2cc(NC(=O)COc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000339270711 1014136792 /nfs/dbraw/zinc/13/67/92/1014136792.db2.gz MVNURPZQAGXEHZ-UHFFFAOYSA-N 1 2 349.312 3.679 20 0 EHADLO Fc1cc(Nc2cc(Br)c3[nH+]ccn3c2)cc(F)n1 ZINC001213078906 1014246662 /nfs/dbraw/zinc/24/66/62/1014246662.db2.gz BHMBDFVVHKDOMQ-UHFFFAOYSA-N 1 2 325.116 3.514 20 0 EHADLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000683090159 1014263034 /nfs/dbraw/zinc/26/30/34/1014263034.db2.gz VHDWAUZQVMXKAY-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339349182 1014268268 /nfs/dbraw/zinc/26/82/68/1014268268.db2.gz YYMUPFMRRKWIDE-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2cccc(C(C)C)c2)ccc1F ZINC000063457691 1014312362 /nfs/dbraw/zinc/31/23/62/1014312362.db2.gz ZBZCXPXEGIRSEN-UHFFFAOYSA-N 1 2 343.402 3.533 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000339402803 1014359300 /nfs/dbraw/zinc/35/93/00/1014359300.db2.gz CMCTYFHSLAWSDF-KRWDZBQOSA-N 1 2 329.419 3.695 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1coc2ccccc12 ZINC000339406289 1014366549 /nfs/dbraw/zinc/36/65/49/1014366549.db2.gz DSXPFPUFWRXTCF-UHFFFAOYSA-N 1 2 349.839 3.780 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)ccn12 ZINC000654857501 1014494058 /nfs/dbraw/zinc/49/40/58/1014494058.db2.gz WFYWMZCBUOZZBF-KGLIPLIRSA-N 1 2 339.361 3.741 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339469335 1014532094 /nfs/dbraw/zinc/53/20/94/1014532094.db2.gz JNTICNCWDMAIPG-CGTJXYLNSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@@H]1CCC[C@]1(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498101 1032095089 /nfs/dbraw/zinc/09/50/89/1032095089.db2.gz UZRXJBFYCVCTFH-QRWLVFNGSA-N 1 2 341.455 3.647 20 0 EHADLO C[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc2c(c1)OCO2 ZINC000044996294 1014647352 /nfs/dbraw/zinc/64/73/52/1014647352.db2.gz MMHMPKMQNDQEQY-UHFFFAOYSA-N 1 2 345.349 3.792 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc2c(c1)OCO2 ZINC000044996294 1014647360 /nfs/dbraw/zinc/64/73/60/1014647360.db2.gz MMHMPKMQNDQEQY-UHFFFAOYSA-N 1 2 345.349 3.792 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(Br)cc(F)c1O ZINC000187842336 1014719021 /nfs/dbraw/zinc/71/90/21/1014719021.db2.gz OOCCPDTVTWQMOX-GXSJLCMTSA-N 1 2 346.240 3.902 20 0 EHADLO CCOC(=O)c1nc(Cl)c(Cl)nc1Nc1c[nH+]c(C)cc1C ZINC001213508216 1014842142 /nfs/dbraw/zinc/84/21/42/1014842142.db2.gz NOERUWYFNKMLIL-UHFFFAOYSA-N 1 2 341.198 3.716 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000023666602 1014923374 /nfs/dbraw/zinc/92/33/74/1014923374.db2.gz KERRUQJTFCNJRX-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000023666602 1014923383 /nfs/dbraw/zinc/92/33/83/1014923383.db2.gz KERRUQJTFCNJRX-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000023666559 1014924113 /nfs/dbraw/zinc/92/41/13/1014924113.db2.gz OTXKKVPQOAAUTH-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000023666559 1014924121 /nfs/dbraw/zinc/92/41/21/1014924121.db2.gz OTXKKVPQOAAUTH-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195396 1014941025 /nfs/dbraw/zinc/94/10/25/1014941025.db2.gz RBUUYXDHNNBXPN-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195396 1014941039 /nfs/dbraw/zinc/94/10/39/1014941039.db2.gz RBUUYXDHNNBXPN-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154064453 1014945059 /nfs/dbraw/zinc/94/50/59/1014945059.db2.gz YFSPTNRGKRJZKA-UHFFFAOYSA-N 1 2 336.435 3.694 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154064453 1014945066 /nfs/dbraw/zinc/94/50/66/1014945066.db2.gz YFSPTNRGKRJZKA-UHFFFAOYSA-N 1 2 336.435 3.694 20 0 EHADLO CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655082309 1014958158 /nfs/dbraw/zinc/95/81/58/1014958158.db2.gz FHLYSWLVLLYVCH-GOSISDBHSA-N 1 2 337.423 3.875 20 0 EHADLO COc1cc(Br)cc(CO)c1Nc1c[nH+]c(C)cc1C ZINC001213513590 1014982823 /nfs/dbraw/zinc/98/28/23/1014982823.db2.gz XUQXFXITLNUCRV-UHFFFAOYSA-N 1 2 337.217 3.705 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CCC[C@H](C)CC3)[nH]2)cc1 ZINC000748082260 1015331003 /nfs/dbraw/zinc/33/10/03/1015331003.db2.gz HNVDEVZGDCJMEI-ZDUSSCGKSA-N 1 2 332.473 3.696 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CCC[C@H](C)CC3)[nH]2)cc1 ZINC000748082260 1015331008 /nfs/dbraw/zinc/33/10/08/1015331008.db2.gz HNVDEVZGDCJMEI-ZDUSSCGKSA-N 1 2 332.473 3.696 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000063274797 1015341300 /nfs/dbraw/zinc/34/13/00/1015341300.db2.gz KVMMPTQUCZEPBI-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO CC(C)C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339623874 1015407875 /nfs/dbraw/zinc/40/78/75/1015407875.db2.gz SKMXCPCHRWGFGD-ZWKOTPCHSA-N 1 2 340.471 3.706 20 0 EHADLO CC(C)C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339623872 1015408860 /nfs/dbraw/zinc/40/88/60/1015408860.db2.gz SKMXCPCHRWGFGD-QZTJIDSGSA-N 1 2 340.471 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnc4c(F)ccc(F)c4c3)ccc2[nH+]1 ZINC000339691141 1015538148 /nfs/dbraw/zinc/53/81/48/1015538148.db2.gz GJJBTDOUOURXPM-UHFFFAOYSA-N 1 2 338.317 3.721 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000683256885 1015548274 /nfs/dbraw/zinc/54/82/74/1015548274.db2.gz QBAMXWQGDCEAHY-FUHWJXTLSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc2c1N(CCCn1cc[nH+]c1)CC2 ZINC000274877217 1015563175 /nfs/dbraw/zinc/56/31/75/1015563175.db2.gz MDTJSXJCIHXXIP-UHFFFAOYSA-N 1 2 342.443 3.683 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2ccccc2)CCCC1 ZINC000109280950 1015591167 /nfs/dbraw/zinc/59/11/67/1015591167.db2.gz JQIKKLQWMASYPU-UHFFFAOYSA-N 1 2 337.467 3.902 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000339761090 1015657590 /nfs/dbraw/zinc/65/75/90/1015657590.db2.gz KRAMGIMABOLBNY-ZDUSSCGKSA-N 1 2 341.361 3.647 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339782440 1015669372 /nfs/dbraw/zinc/66/93/72/1015669372.db2.gz OLBCWSRVNBCZFZ-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000339782440 1015669379 /nfs/dbraw/zinc/66/93/79/1015669379.db2.gz OLBCWSRVNBCZFZ-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000274954954 1015676086 /nfs/dbraw/zinc/67/60/86/1015676086.db2.gz FJVNEHULZYKIAF-UHFFFAOYSA-N 1 2 345.446 3.747 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C[C@H]2C=CCCC2)c1)[NH+]1CCOCC1 ZINC000275000805 1015733801 /nfs/dbraw/zinc/73/38/01/1015733801.db2.gz KJFLGKUIUBRDKF-IRXDYDNUSA-N 1 2 328.456 3.765 20 0 EHADLO COCc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)no1 ZINC000459442674 1032127025 /nfs/dbraw/zinc/12/70/25/1032127025.db2.gz MMZNAGRUEIWNAB-JTQLQIEISA-N 1 2 330.306 3.570 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000076022811 1015829373 /nfs/dbraw/zinc/82/93/73/1015829373.db2.gz QMJNYIYCHQBSHC-QAPCUYQASA-N 1 2 327.472 3.780 20 0 EHADLO CC(=O)OC(C)(C)CCC[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209159639 1015862608 /nfs/dbraw/zinc/86/26/08/1015862608.db2.gz UVEADXQHFSEAJT-KRWDZBQOSA-N 1 2 339.863 3.835 20 0 EHADLO CC(=O)OC(C)(C)CCC[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209159639 1015862614 /nfs/dbraw/zinc/86/26/14/1015862614.db2.gz UVEADXQHFSEAJT-KRWDZBQOSA-N 1 2 339.863 3.835 20 0 EHADLO CN(Cc1ccoc1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339936163 1015983924 /nfs/dbraw/zinc/98/39/24/1015983924.db2.gz MUESZJLHHADPAB-UHFFFAOYSA-N 1 2 348.406 3.859 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)CCC2 ZINC000278722330 1032135328 /nfs/dbraw/zinc/13/53/28/1032135328.db2.gz MGQMWAAMHSFWLQ-JQWIXIFHSA-N 1 2 349.456 3.653 20 0 EHADLO Clc1cccc(-c2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2)c1 ZINC001167125425 1016205970 /nfs/dbraw/zinc/20/59/70/1016205970.db2.gz AZXXZEWOQIUZML-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO C[C@H]1[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC001594182724 998702543 /nfs/dbraw/zinc/70/25/43/998702543.db2.gz GBMRXSQPTGPIPF-WQZMEWCLSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@H]1[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC001594182724 998702546 /nfs/dbraw/zinc/70/25/46/998702546.db2.gz GBMRXSQPTGPIPF-WQZMEWCLSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@@H+]1C ZINC001594245050 998934631 /nfs/dbraw/zinc/93/46/31/998934631.db2.gz FGRSNPADCYKLDK-HUUCEWRRSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@H+]1C ZINC001594245050 998934636 /nfs/dbraw/zinc/93/46/36/998934636.db2.gz FGRSNPADCYKLDK-HUUCEWRRSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245050 998934642 /nfs/dbraw/zinc/93/46/42/998934642.db2.gz FGRSNPADCYKLDK-HUUCEWRRSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245050 998934647 /nfs/dbraw/zinc/93/46/47/998934647.db2.gz FGRSNPADCYKLDK-HUUCEWRRSA-N 1 2 342.439 3.559 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCc3ccc(Cl)cc3)CC2)s1 ZINC001167145938 1016317194 /nfs/dbraw/zinc/31/71/94/1016317194.db2.gz JCESOHUBHCZCIC-UHFFFAOYSA-N 1 2 348.899 3.710 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cnc(Cl)s2)[C@H]1c1ccccc1 ZINC001209471382 1016331655 /nfs/dbraw/zinc/33/16/55/1016331655.db2.gz GMUKGNNLFWBIPB-KBPBESRZSA-N 1 2 336.844 3.533 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)[C@H]1c1ccccc1 ZINC001209471382 1016331666 /nfs/dbraw/zinc/33/16/66/1016331666.db2.gz GMUKGNNLFWBIPB-KBPBESRZSA-N 1 2 336.844 3.533 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000340118915 1016351076 /nfs/dbraw/zinc/35/10/76/1016351076.db2.gz RWAIPWMRMWBAPG-UHFFFAOYSA-N 1 2 335.411 3.895 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000340144382 1016458141 /nfs/dbraw/zinc/45/81/41/1016458141.db2.gz IPSQGQPDMGBFQW-UHFFFAOYSA-N 1 2 349.312 3.661 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363218 1016563374 /nfs/dbraw/zinc/56/33/74/1016563374.db2.gz ROHFVGAMFJBNGQ-OLZOCXBDSA-N 1 2 337.407 3.605 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363218 1016563396 /nfs/dbraw/zinc/56/33/96/1016563396.db2.gz ROHFVGAMFJBNGQ-OLZOCXBDSA-N 1 2 337.407 3.605 20 0 EHADLO OCCC[N@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccccc1 ZINC000155365177 1016569888 /nfs/dbraw/zinc/56/98/88/1016569888.db2.gz IMQWPMWVNXYIPH-UHFFFAOYSA-N 1 2 339.464 3.590 20 0 EHADLO OCCC[N@@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccccc1 ZINC000155365177 1016569914 /nfs/dbraw/zinc/56/99/14/1016569914.db2.gz IMQWPMWVNXYIPH-UHFFFAOYSA-N 1 2 339.464 3.590 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnc4ccncc43)c2)[nH+]c1C ZINC000376590277 1016699309 /nfs/dbraw/zinc/69/93/09/1016699309.db2.gz VEOWJZSBSFPIIC-UHFFFAOYSA-N 1 2 343.390 3.889 20 0 EHADLO CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CN(C2CC2)C(=O)O1 ZINC001167244625 1016741191 /nfs/dbraw/zinc/74/11/91/1016741191.db2.gz WRLLZKHXFHCNMG-ZDUSSCGKSA-N 1 2 340.826 3.674 20 0 EHADLO CCC[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CN(C2CC2)C(=O)O1 ZINC001167244625 1016741199 /nfs/dbraw/zinc/74/11/99/1016741199.db2.gz WRLLZKHXFHCNMG-ZDUSSCGKSA-N 1 2 340.826 3.674 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H]2CCCC[C@@H]12 ZINC000782932623 1016758605 /nfs/dbraw/zinc/75/86/05/1016758605.db2.gz BGPQJVIZHKBCRS-WOPDTQHZSA-N 1 2 330.448 3.747 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H]2CCCC[C@@H]12 ZINC000782932623 1016758619 /nfs/dbraw/zinc/75/86/19/1016758619.db2.gz BGPQJVIZHKBCRS-WOPDTQHZSA-N 1 2 330.448 3.747 20 0 EHADLO Cc1oc2nc(C[N@@H+]3Cc4ccccc4C(C)(C)C3)nc(N)c2c1C ZINC000340237188 1016754886 /nfs/dbraw/zinc/75/48/86/1016754886.db2.gz XQQNOULLRPJEET-UHFFFAOYSA-N 1 2 336.439 3.715 20 0 EHADLO Cc1oc2nc(C[N@H+]3Cc4ccccc4C(C)(C)C3)nc(N)c2c1C ZINC000340237188 1016754900 /nfs/dbraw/zinc/75/49/00/1016754900.db2.gz XQQNOULLRPJEET-UHFFFAOYSA-N 1 2 336.439 3.715 20 0 EHADLO COc1ccc([C@H](Nc2[nH+]c3ccccc3n2C)c2nccn2C)cc1 ZINC000178802105 1016780639 /nfs/dbraw/zinc/78/06/39/1016780639.db2.gz STGHOMYOMGRMEX-SFHVURJKSA-N 1 2 347.422 3.517 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000659531743 1016799347 /nfs/dbraw/zinc/79/93/47/1016799347.db2.gz BBJBAWOGNAEBMV-FUHWJXTLSA-N 1 2 327.472 3.892 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340333639 1016967460 /nfs/dbraw/zinc/96/74/60/1016967460.db2.gz DUFQLNZCKZQAFX-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340333639 1016967474 /nfs/dbraw/zinc/96/74/74/1016967474.db2.gz DUFQLNZCKZQAFX-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC ZINC000121235490 1016975701 /nfs/dbraw/zinc/97/57/01/1016975701.db2.gz XSUMFNDVEKCIMX-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCC ZINC000121235490 1016975711 /nfs/dbraw/zinc/97/57/11/1016975711.db2.gz XSUMFNDVEKCIMX-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO CCc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)cc1 ZINC000706100865 1017031613 /nfs/dbraw/zinc/03/16/13/1017031613.db2.gz QZGWLBUTBLYPJK-KDOFPFPSSA-N 1 2 337.423 3.904 20 0 EHADLO CC(C)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000029554991 1017044776 /nfs/dbraw/zinc/04/47/76/1017044776.db2.gz YNDXDTAPBJFMBP-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343749483 1032166031 /nfs/dbraw/zinc/16/60/31/1032166031.db2.gz XMBUGBVTHJYCHD-VIFPVBQESA-N 1 2 341.242 3.758 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1c(F)cccc1F ZINC000538126498 1032168229 /nfs/dbraw/zinc/16/82/29/1032168229.db2.gz XAOLRHSFGUGGFG-KGLIPLIRSA-N 1 2 344.405 3.983 20 0 EHADLO CCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153907721 1032175205 /nfs/dbraw/zinc/17/52/05/1032175205.db2.gz MWTHULVTLBKYSJ-ROUUACIJSA-N 1 2 338.455 3.601 20 0 EHADLO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]Cc1cscn1 ZINC000449109246 1032188800 /nfs/dbraw/zinc/18/88/00/1032188800.db2.gz VXHYLSLZTYBIPN-GFCCVEGCSA-N 1 2 327.222 3.822 20 0 EHADLO FC(F)(F)c1ccnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000080948895 1032227159 /nfs/dbraw/zinc/22/71/59/1032227159.db2.gz NMJMSMBRZLRXNR-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccccc2C2CCC2)n1 ZINC000904741753 1032227251 /nfs/dbraw/zinc/22/72/51/1032227251.db2.gz NYYSWFILQSIGKT-HNNXBMFYSA-N 1 2 343.427 3.736 20 0 EHADLO Cn1cnc2c1C[N@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC001204718058 1032239548 /nfs/dbraw/zinc/23/95/48/1032239548.db2.gz UVXOZGXUMLXZJL-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO Cn1cnc2c1C[N@@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC001204718058 1032239566 /nfs/dbraw/zinc/23/95/66/1032239566.db2.gz UVXOZGXUMLXZJL-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO Oc1ccc(Br)c(C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000343760243 1032247919 /nfs/dbraw/zinc/24/79/19/1032247919.db2.gz IBUUUGOGOOLVKO-UHFFFAOYSA-N 1 2 343.224 3.993 20 0 EHADLO C[C@H]1CCCCN1C(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000278742579 1032261923 /nfs/dbraw/zinc/26/19/23/1032261923.db2.gz RJNOGAGXRKIBFE-INIZCTEOSA-N 1 2 348.450 3.961 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C(C)C)C2(CO)CCCC2)c(C)[nH+]1 ZINC000459576051 1032302956 /nfs/dbraw/zinc/30/29/56/1032302956.db2.gz GFDAQFWLGLRIPO-QGZVFWFLSA-N 1 2 333.476 3.706 20 0 EHADLO Cc1cc(Cl)cnc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000485103721 1032307857 /nfs/dbraw/zinc/30/78/57/1032307857.db2.gz GPPRCVPSSDJGHK-CQSZACIVSA-N 1 2 338.238 3.938 20 0 EHADLO CCSc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000081402433 1032312797 /nfs/dbraw/zinc/31/27/97/1032312797.db2.gz PCNLGWFUFYHSAJ-SFHVURJKSA-N 1 2 341.480 3.797 20 0 EHADLO CCSc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000081402433 1032312802 /nfs/dbraw/zinc/31/28/02/1032312802.db2.gz PCNLGWFUFYHSAJ-SFHVURJKSA-N 1 2 341.480 3.797 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CCCC1 ZINC000653032363 1032325443 /nfs/dbraw/zinc/32/54/43/1032325443.db2.gz OUSUZVIIQOXAAD-XLAORIBOSA-N 1 2 327.472 3.747 20 0 EHADLO Clc1ccc(Br)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459609768 1032325656 /nfs/dbraw/zinc/32/56/56/1032325656.db2.gz BIIUVXQEGQSECE-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CSc1cccc(C)c1NC(=O)NCCCNc1cccc[nH+]1 ZINC000184938624 1032344446 /nfs/dbraw/zinc/34/44/46/1032344446.db2.gz ZYUCPJMWCHXGBL-UHFFFAOYSA-N 1 2 330.457 3.736 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccnc(Cl)c3)n2)c1 ZINC000185108195 1032365945 /nfs/dbraw/zinc/36/59/45/1032365945.db2.gz QZRBOCYUFFPXAP-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@H](C)C3(C)CC3)c(=S)[nH]2)cc1 ZINC000176833044 1032367018 /nfs/dbraw/zinc/36/70/18/1032367018.db2.gz PRVIJSLKFDGOIG-GFCCVEGCSA-N 1 2 332.473 3.694 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C3(C)CC3)c(=S)[nH]2)cc1 ZINC000176833044 1032367032 /nfs/dbraw/zinc/36/70/32/1032367032.db2.gz PRVIJSLKFDGOIG-GFCCVEGCSA-N 1 2 332.473 3.694 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1nc2c(s1)CCC2 ZINC000459655214 1032378791 /nfs/dbraw/zinc/37/87/91/1032378791.db2.gz UOMPUTXPXJDRCE-MFKMUULPSA-N 1 2 335.498 3.791 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)[nH]1 ZINC000459668022 1032396193 /nfs/dbraw/zinc/39/61/93/1032396193.db2.gz DROBZLHNIMYBHS-UHFFFAOYSA-N 1 2 330.329 3.550 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000459677064 1032404882 /nfs/dbraw/zinc/40/48/82/1032404882.db2.gz MOCXJODLIFLVKS-UHFFFAOYSA-N 1 2 330.329 3.550 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc(Cl)c1F ZINC000449299678 1032418047 /nfs/dbraw/zinc/41/80/47/1032418047.db2.gz BMZVFOWJYKEBMX-MRXNPFEDSA-N 1 2 337.826 3.614 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ccncc2F)CC2CC2)c(OC)c1 ZINC000449305517 1032424532 /nfs/dbraw/zinc/42/45/32/1032424532.db2.gz GWOMHEUNRVZTBE-UHFFFAOYSA-N 1 2 330.403 3.650 20 0 EHADLO COc1ccc(C[N@H+](Cc2ccncc2F)CC2CC2)c(OC)c1 ZINC000449305517 1032424535 /nfs/dbraw/zinc/42/45/35/1032424535.db2.gz GWOMHEUNRVZTBE-UHFFFAOYSA-N 1 2 330.403 3.650 20 0 EHADLO CCc1nc(NC(=O)N(C)CCCn2cc[nH+]c2)sc1C(C)(C)C ZINC000459700203 1032425541 /nfs/dbraw/zinc/42/55/41/1032425541.db2.gz LYYOVQHSYOVMGP-UHFFFAOYSA-N 1 2 349.504 3.754 20 0 EHADLO CCN(CC)c1ccc(NC2CCC(O)(C(F)(F)F)CC2)c[nH+]1 ZINC000396346927 1032426028 /nfs/dbraw/zinc/42/60/28/1032426028.db2.gz DKZUQVXZRNESJE-UHFFFAOYSA-N 1 2 331.382 3.576 20 0 EHADLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)cc(OC)c1Cl ZINC000459758227 1032451110 /nfs/dbraw/zinc/45/11/10/1032451110.db2.gz OVVBTBJYSHPGEP-UHFFFAOYSA-N 1 2 347.846 3.833 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767791 1032471360 /nfs/dbraw/zinc/47/13/60/1032471360.db2.gz YBROJVADVVFVKC-YJYMSZOUSA-N 1 2 342.389 3.643 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767791 1032471362 /nfs/dbraw/zinc/47/13/62/1032471362.db2.gz YBROJVADVVFVKC-YJYMSZOUSA-N 1 2 342.389 3.643 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1c(F)cccc1F ZINC000537025028 1032489195 /nfs/dbraw/zinc/48/91/95/1032489195.db2.gz HTRGYMLJAYRSEJ-XCLFUZPHSA-N 1 2 344.405 3.883 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000537024279 1032489829 /nfs/dbraw/zinc/48/98/29/1032489829.db2.gz FBAAUGVTZADJJV-UONOGXRCSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457387 1032575292 /nfs/dbraw/zinc/57/52/92/1032575292.db2.gz GGABNSLCNIBBMD-WDEREUQCSA-N 1 2 342.390 3.763 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457387 1032575302 /nfs/dbraw/zinc/57/53/02/1032575302.db2.gz GGABNSLCNIBBMD-WDEREUQCSA-N 1 2 342.390 3.763 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000602081947 1032615551 /nfs/dbraw/zinc/61/55/51/1032615551.db2.gz YVBDFVWPWMIYDN-OAQYLSRUSA-N 1 2 347.462 3.817 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000606355537 1032633839 /nfs/dbraw/zinc/63/38/39/1032633839.db2.gz UKEWLNURRUNNFP-CYBMUJFWSA-N 1 2 343.496 3.826 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000606355537 1032633846 /nfs/dbraw/zinc/63/38/46/1032633846.db2.gz UKEWLNURRUNNFP-CYBMUJFWSA-N 1 2 343.496 3.826 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)s1 ZINC000606368615 1032656744 /nfs/dbraw/zinc/65/67/44/1032656744.db2.gz IOCLSBXFGVWTLE-CYBMUJFWSA-N 1 2 335.498 3.857 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)s1 ZINC000606368615 1032656751 /nfs/dbraw/zinc/65/67/51/1032656751.db2.gz IOCLSBXFGVWTLE-CYBMUJFWSA-N 1 2 335.498 3.857 20 0 EHADLO O=C(Nc1cc(-c2ccccc2)on1)c1cccc(-n2cc[nH+]c2)c1 ZINC000081737610 1032663003 /nfs/dbraw/zinc/66/30/03/1032663003.db2.gz ZVLAPVANECIDGX-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000606431758 1032679300 /nfs/dbraw/zinc/67/93/00/1032679300.db2.gz XRRISTVWZMYCJF-QGZVFWFLSA-N 1 2 332.444 3.796 20 0 EHADLO C[C@H](c1ccncc1)[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000606430934 1032679360 /nfs/dbraw/zinc/67/93/60/1032679360.db2.gz XUJZLCUMOLSMSL-OAHLLOKOSA-N 1 2 338.480 3.570 20 0 EHADLO COc1ccc(C[C@H](C)C[N@H+](C)Cc2noc(C3CCC3)n2)cc1 ZINC000625277764 1017279977 /nfs/dbraw/zinc/27/99/77/1017279977.db2.gz QDRKRICNBNYOCS-AWEZNQCLSA-N 1 2 329.444 3.656 20 0 EHADLO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2noc(C3CCC3)n2)cc1 ZINC000625277764 1017279988 /nfs/dbraw/zinc/27/99/88/1017279988.db2.gz QDRKRICNBNYOCS-AWEZNQCLSA-N 1 2 329.444 3.656 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC(C)(C)C(C)(C)C)c1ccccc1 ZINC000655621405 1017307274 /nfs/dbraw/zinc/30/72/74/1017307274.db2.gz NLDYZJXCIHBYKJ-MRXNPFEDSA-N 1 2 342.487 3.828 20 0 EHADLO C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000537394876 1032692787 /nfs/dbraw/zinc/69/27/87/1032692787.db2.gz SMCJJNRSJJYSPY-VBKZILBWSA-N 1 2 341.430 3.793 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1OC(F)F ZINC000655724176 1017466054 /nfs/dbraw/zinc/46/60/54/1017466054.db2.gz XGOSBDOMAQBLHJ-CYBMUJFWSA-N 1 2 337.370 3.508 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1nccn1CC(C)C ZINC000655742069 1017512963 /nfs/dbraw/zinc/51/29/63/1017512963.db2.gz OFMIGYFIBLBWQM-UHFFFAOYSA-N 1 2 337.471 3.631 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255100813 1017553464 /nfs/dbraw/zinc/55/34/64/1017553464.db2.gz LQJHDTVXHRPUSD-VURMDHGXSA-N 1 2 343.839 3.917 20 0 EHADLO CCOC(=O)c1sc(CNc2cc(C)[nH+]c(C3CCC3)n2)nc1C ZINC000892847710 1017568334 /nfs/dbraw/zinc/56/83/34/1017568334.db2.gz XTTVONYOESYZKY-UHFFFAOYSA-N 1 2 346.456 3.606 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1(c2ccccc2)CCCC1 ZINC000655794498 1017625360 /nfs/dbraw/zinc/62/53/60/1017625360.db2.gz NXBMCNAZNDWGTE-NVXWUHKLSA-N 1 2 340.471 3.646 20 0 EHADLO CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794785 1017627339 /nfs/dbraw/zinc/62/73/39/1017627339.db2.gz RKKYPCPEOLUZKD-HZPDHXFCSA-N 1 2 346.500 3.563 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000655795419 1017627878 /nfs/dbraw/zinc/62/78/78/1017627878.db2.gz BKUFNVDORMQMTL-MSOLQXFVSA-N 1 2 340.471 3.947 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796025 1017633088 /nfs/dbraw/zinc/63/30/88/1017633088.db2.gz FNHSXAWTUCPIMD-RHSMWYFYSA-N 1 2 328.460 3.706 20 0 EHADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1c(Cl)cccc1Cl ZINC000643110791 1017662601 /nfs/dbraw/zinc/66/26/01/1017662601.db2.gz JZOOVBMDRDLLAP-SECBINFHSA-N 1 2 337.210 3.853 20 0 EHADLO COc1c(C)cccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000655811424 1017675078 /nfs/dbraw/zinc/67/50/78/1017675078.db2.gz JNEDLYKBIIJPGK-IBGZPJMESA-N 1 2 339.414 3.755 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OC[C@@H]2CCOC2)c1 ZINC000091735342 1032720601 /nfs/dbraw/zinc/72/06/01/1032720601.db2.gz NPHVCPGIMDYKAC-HUUCEWRRSA-N 1 2 332.469 3.718 20 0 EHADLO C[C@@](CO)([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000394732812 1017775839 /nfs/dbraw/zinc/77/58/39/1017775839.db2.gz BYAYVQAFYIIUTN-INIZCTEOSA-N 1 2 338.220 3.586 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccccc1 ZINC000606540553 1032727943 /nfs/dbraw/zinc/72/79/43/1032727943.db2.gz UAFIARVCGVWCBJ-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccccc1 ZINC000606540553 1032727967 /nfs/dbraw/zinc/72/79/67/1032727967.db2.gz UAFIARVCGVWCBJ-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000046944229 1017842500 /nfs/dbraw/zinc/84/25/00/1017842500.db2.gz UERWUMSGKUNFOS-OAHLLOKOSA-N 1 2 344.484 3.664 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000606492558 1032725629 /nfs/dbraw/zinc/72/56/29/1032725629.db2.gz MOUJRYHEWGQXQU-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000547977755 1017879751 /nfs/dbraw/zinc/87/97/51/1017879751.db2.gz GXPAFKYJBSGBPL-ZANVPECISA-N 1 2 339.365 3.509 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)cn1 ZINC000377490221 1017895507 /nfs/dbraw/zinc/89/55/07/1017895507.db2.gz FGCWOADYYSVKJV-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cn1cc(C[N@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)cn1 ZINC000377490221 1017895528 /nfs/dbraw/zinc/89/55/28/1017895528.db2.gz FGCWOADYYSVKJV-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)no1 ZINC000340460388 1017918941 /nfs/dbraw/zinc/91/89/41/1017918941.db2.gz MDYAGCCCOQSVRW-JJRVBVJISA-N 1 2 345.418 3.525 20 0 EHADLO C[N@@H+](Cc1cn2ccccc2n1)Cc1cc(Br)cs1 ZINC000076652583 1018013620 /nfs/dbraw/zinc/01/36/20/1018013620.db2.gz AJDKVYZEILHQGK-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@H+](Cc1cn2ccccc2n1)Cc1cc(Br)cs1 ZINC000076652583 1018013635 /nfs/dbraw/zinc/01/36/35/1018013635.db2.gz AJDKVYZEILHQGK-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)c(C(C)C)c1 ZINC001167322426 1018018680 /nfs/dbraw/zinc/01/86/80/1018018680.db2.gz VLIXUHZEGMYHES-FCHUYYIVSA-N 1 2 344.543 3.964 20 0 EHADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000431846006 1018025532 /nfs/dbraw/zinc/02/55/32/1018025532.db2.gz QRILKOWSROMZOR-HTAPYJJXSA-N 1 2 345.446 3.694 20 0 EHADLO Fc1cc(F)c(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)c(F)c1 ZINC000340485055 1018058791 /nfs/dbraw/zinc/05/87/91/1018058791.db2.gz CZCMARJVPHVQAC-IBGZPJMESA-N 1 2 343.352 3.968 20 0 EHADLO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000122775243 1018081275 /nfs/dbraw/zinc/08/12/75/1018081275.db2.gz WIGHNSIBRQRSNK-CQSZACIVSA-N 1 2 335.407 3.903 20 0 EHADLO Cc1ccncc1CCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377623161 1018085197 /nfs/dbraw/zinc/08/51/97/1018085197.db2.gz ZXYJBLXSYYWVQI-KRWDZBQOSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1ccncc1CCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377623161 1018085212 /nfs/dbraw/zinc/08/52/12/1018085212.db2.gz ZXYJBLXSYYWVQI-KRWDZBQOSA-N 1 2 326.444 3.810 20 0 EHADLO C[N@@H+]1CC[C@H]1CN[C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000926889591 1018128826 /nfs/dbraw/zinc/12/88/26/1018128826.db2.gz LTIQUMFXCKICGS-WMLDXEAASA-N 1 2 336.266 3.772 20 0 EHADLO C[N@H+]1CC[C@H]1CN[C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000926889591 1018128833 /nfs/dbraw/zinc/12/88/33/1018128833.db2.gz LTIQUMFXCKICGS-WMLDXEAASA-N 1 2 336.266 3.772 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377661035 1018138325 /nfs/dbraw/zinc/13/83/25/1018138325.db2.gz BULVHYUWZYBHFN-OAHLLOKOSA-N 1 2 333.395 3.607 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccncc1F ZINC000340509611 1018182006 /nfs/dbraw/zinc/18/20/06/1018182006.db2.gz SKPQESFKLLMMIQ-IINYFYTJSA-N 1 2 344.308 3.504 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812719 1018190495 /nfs/dbraw/zinc/19/04/95/1018190495.db2.gz XUIKKEYFNCLMOK-LLVKDONJSA-N 1 2 340.851 3.677 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812719 1018190501 /nfs/dbraw/zinc/19/05/01/1018190501.db2.gz XUIKKEYFNCLMOK-LLVKDONJSA-N 1 2 340.851 3.677 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)cn1 ZINC000340525164 1018213335 /nfs/dbraw/zinc/21/33/35/1018213335.db2.gz MELIBSVZDNAXSD-OAQYLSRUSA-N 1 2 345.446 3.537 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000606570707 1032754168 /nfs/dbraw/zinc/75/41/68/1032754168.db2.gz OWXRBPPECZNJPQ-HNNXBMFYSA-N 1 2 334.423 3.569 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3cccc4cccnc43)ccc2[nH+]1 ZINC000606569698 1032754408 /nfs/dbraw/zinc/75/44/08/1032754408.db2.gz PCNSWESIVHUBBZ-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2c2noc(C3CC3)n2)nc(C2CC2)[nH+]1 ZINC000377734681 1018295896 /nfs/dbraw/zinc/29/58/96/1018295896.db2.gz OANVKTKYZDSTDI-CQSZACIVSA-N 1 2 325.416 3.654 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1COc2ccccc2O1 ZINC000510315153 1018356701 /nfs/dbraw/zinc/35/67/01/1018356701.db2.gz OPYZZAPWJHKHTM-QGZVFWFLSA-N 1 2 336.391 3.613 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1COc2ccccc2O1 ZINC000510315153 1018356719 /nfs/dbraw/zinc/35/67/19/1018356719.db2.gz OPYZZAPWJHKHTM-QGZVFWFLSA-N 1 2 336.391 3.613 20 0 EHADLO C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000275727727 1018365739 /nfs/dbraw/zinc/36/57/39/1018365739.db2.gz VFZOWGRUNCGBSL-GXTWGEPZSA-N 1 2 343.402 3.591 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3cccs3)C3CC3)[nH+]c12 ZINC000588357613 1018377564 /nfs/dbraw/zinc/37/75/64/1018377564.db2.gz MWFPEOVLHZDULQ-KRWDZBQOSA-N 1 2 325.437 3.514 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)c(F)c(F)c1 ZINC000119231158 1032763069 /nfs/dbraw/zinc/76/30/69/1032763069.db2.gz QELBEXJUVUEPIR-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO COc1ccc2ccccc2c1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581526 1032764260 /nfs/dbraw/zinc/76/42/60/1032764260.db2.gz HBBHHXILIOROET-UHFFFAOYSA-N 1 2 346.390 3.818 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1csc(N(C)C)n1 ZINC000683771423 1018468130 /nfs/dbraw/zinc/46/81/30/1018468130.db2.gz BLGZCUKUBOFBOP-UHFFFAOYSA-N 1 2 325.865 3.551 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3cnccc3c2)no1 ZINC000683775447 1018495577 /nfs/dbraw/zinc/49/55/77/1018495577.db2.gz PFLUPFUNHMNWGX-UHFFFAOYSA-N 1 2 325.412 3.828 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1ccccc1)c1cccnc1 ZINC000606583669 1032768178 /nfs/dbraw/zinc/76/81/78/1032768178.db2.gz JUHYBNUBMBFMLR-LJQANCHMSA-N 1 2 343.390 3.640 20 0 EHADLO FC1(F)CC2(C[NH+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000683785324 1018559283 /nfs/dbraw/zinc/55/92/83/1018559283.db2.gz HPFCIGBDGXUEFW-UHFFFAOYSA-N 1 2 330.378 3.892 20 0 EHADLO CCOc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc(Cl)c1O ZINC000340572836 1018562783 /nfs/dbraw/zinc/56/27/83/1018562783.db2.gz ONBZTWHSQJMZQZ-KRWDZBQOSA-N 1 2 347.842 3.536 20 0 EHADLO CCOc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc(Cl)c1O ZINC000340572836 1018562795 /nfs/dbraw/zinc/56/27/95/1018562795.db2.gz ONBZTWHSQJMZQZ-KRWDZBQOSA-N 1 2 347.842 3.536 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000340579038 1018566956 /nfs/dbraw/zinc/56/69/56/1018566956.db2.gz LQURYPFEFNGAPM-QGZVFWFLSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000340579038 1018566969 /nfs/dbraw/zinc/56/69/69/1018566969.db2.gz LQURYPFEFNGAPM-QGZVFWFLSA-N 1 2 327.449 3.595 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1F ZINC000580082447 1018609185 /nfs/dbraw/zinc/60/91/85/1018609185.db2.gz DJBQKSXGSLUXTD-BDJLRTHQSA-N 1 2 338.220 3.800 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\Sc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000255128272 1018671852 /nfs/dbraw/zinc/67/18/52/1018671852.db2.gz IABOLEVFPIRBDO-LSSCVZNJSA-N 1 2 327.453 3.599 20 0 EHADLO CCOC(=O)c1cnc2cccc(Nc3cc(C)[nH+]c(OC)c3)c2c1 ZINC001210784721 1018691800 /nfs/dbraw/zinc/69/18/00/1018691800.db2.gz USURNMGXIPWXNX-UHFFFAOYSA-N 1 2 337.379 3.867 20 0 EHADLO CC(C)c1ccsc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119249218 1032780160 /nfs/dbraw/zinc/78/01/60/1032780160.db2.gz DVWFHISYHYVNQT-AWEZNQCLSA-N 1 2 331.485 3.700 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c2ncccc12 ZINC000052282161 1018781362 /nfs/dbraw/zinc/78/13/62/1018781362.db2.gz BFWOFKSIQPDRAL-UHFFFAOYSA-N 1 2 341.842 3.799 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213658 1018874717 /nfs/dbraw/zinc/87/47/17/1018874717.db2.gz FGVWAJQSYQCJHH-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213658 1018874726 /nfs/dbraw/zinc/87/47/26/1018874726.db2.gz FGVWAJQSYQCJHH-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO CC[C@@H](C)c1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000927766882 1018981338 /nfs/dbraw/zinc/98/13/38/1018981338.db2.gz XXBAKEHNVHHKTH-CYBMUJFWSA-N 1 2 331.485 3.648 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000048614646 1018997821 /nfs/dbraw/zinc/99/78/21/1018997821.db2.gz CCLVQRBAVOQYRE-UHFFFAOYSA-N 1 2 330.453 3.585 20 0 EHADLO C[C@@H](Cc1cnccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000576438440 1018998763 /nfs/dbraw/zinc/99/87/63/1018998763.db2.gz BUSYVBXVLIOSHE-HNNXBMFYSA-N 1 2 333.439 3.720 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1CCC(F)(F)F)n1cc[nH+]c1 ZINC000580315606 1019008934 /nfs/dbraw/zinc/00/89/34/1019008934.db2.gz KQKJMJVUYVUFDC-LBPRGKRZSA-N 1 2 325.334 3.968 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2Br)on1 ZINC000639326860 1019026606 /nfs/dbraw/zinc/02/66/06/1019026606.db2.gz WMWRSHPNYZJCDL-UHFFFAOYSA-N 1 2 345.624 3.697 20 0 EHADLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccoc1 ZINC000345093784 1019027072 /nfs/dbraw/zinc/02/70/72/1019027072.db2.gz VZXBXCSMHWVBEB-UHFFFAOYSA-N 1 2 349.434 3.509 20 0 EHADLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccoc1 ZINC000345093784 1019027088 /nfs/dbraw/zinc/02/70/88/1019027088.db2.gz VZXBXCSMHWVBEB-UHFFFAOYSA-N 1 2 349.434 3.509 20 0 EHADLO COCc1cccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000255398739 1019031205 /nfs/dbraw/zinc/03/12/05/1019031205.db2.gz WGNPKZCGKHNRBT-YFHOEESVSA-N 1 2 333.391 3.671 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)s1 ZINC000894180806 1019074798 /nfs/dbraw/zinc/07/47/98/1019074798.db2.gz MENNCFWFJUFWHO-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H](C)C1CCCCC1 ZINC000510321662 1019090613 /nfs/dbraw/zinc/09/06/13/1019090613.db2.gz IJTLOXFSPVVNMG-RYRKJORJSA-N 1 2 344.503 3.564 20 0 EHADLO COCCCC[N@H+](C)[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000419388810 1019111459 /nfs/dbraw/zinc/11/14/59/1019111459.db2.gz OHDDSAFCQKYQPV-CQSZACIVSA-N 1 2 334.243 3.566 20 0 EHADLO COCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000419388810 1019111465 /nfs/dbraw/zinc/11/14/65/1019111465.db2.gz OHDDSAFCQKYQPV-CQSZACIVSA-N 1 2 334.243 3.566 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1C ZINC000729050771 1019169646 /nfs/dbraw/zinc/16/96/46/1019169646.db2.gz KLKFIHLPZLTLSF-CVEARBPZSA-N 1 2 333.476 3.721 20 0 EHADLO Cc1ccccc1N1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052660851 1019171200 /nfs/dbraw/zinc/17/12/00/1019171200.db2.gz ZQDUVWZPDRGKLI-QGZVFWFLSA-N 1 2 348.450 3.928 20 0 EHADLO CCCCc1noc(C[N@H+](CCCCOC)Cc2ccccc2)n1 ZINC000052798170 1019259868 /nfs/dbraw/zinc/25/98/68/1019259868.db2.gz UDXHCOIXDKLKPF-UHFFFAOYSA-N 1 2 331.460 3.841 20 0 EHADLO CCCCc1noc(C[N@@H+](CCCCOC)Cc2ccccc2)n1 ZINC000052798170 1019259894 /nfs/dbraw/zinc/25/98/94/1019259894.db2.gz UDXHCOIXDKLKPF-UHFFFAOYSA-N 1 2 331.460 3.841 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](C)Cc2csc3ccccc23)n1 ZINC000052806223 1019275361 /nfs/dbraw/zinc/27/53/61/1019275361.db2.gz ICORLPQPIVEYNV-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](C)Cc2csc3ccccc23)n1 ZINC000052806223 1019275371 /nfs/dbraw/zinc/27/53/71/1019275371.db2.gz ICORLPQPIVEYNV-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000683927840 1019299741 /nfs/dbraw/zinc/29/97/41/1019299741.db2.gz OEECZUHJPZDMIY-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000408468158 1019305181 /nfs/dbraw/zinc/30/51/81/1019305181.db2.gz QCEXMZJEENACGR-MRXNPFEDSA-N 1 2 341.459 3.726 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000023668500 1019380620 /nfs/dbraw/zinc/38/06/20/1019380620.db2.gz CPVYHMQLMZTAAY-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000023668500 1019380634 /nfs/dbraw/zinc/38/06/34/1019380634.db2.gz CPVYHMQLMZTAAY-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO COc1cccc2c(N[C@@H]3CCO[C@@]4(CCSC4)C3)cc[nH+]c12 ZINC000275885741 1019391162 /nfs/dbraw/zinc/39/11/62/1019391162.db2.gz XEFDGNOYRAHGKF-ACJLOTCBSA-N 1 2 330.453 3.710 20 0 EHADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)oc1C ZINC001204540528 1019459966 /nfs/dbraw/zinc/45/99/66/1019459966.db2.gz YMYYOSZUORUXCO-CQSZACIVSA-N 1 2 344.402 3.631 20 0 EHADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)oc1C ZINC001204540528 1019459972 /nfs/dbraw/zinc/45/99/72/1019459972.db2.gz YMYYOSZUORUXCO-CQSZACIVSA-N 1 2 344.402 3.631 20 0 EHADLO Brc1cc(CNc2cc(N3CCCC3)nc[nH+]2)cs1 ZINC000433622293 1019464674 /nfs/dbraw/zinc/46/46/74/1019464674.db2.gz QKOZPDUTQPVWRS-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Brc1cc(CNc2cc(N3CCCC3)[nH+]cn2)cs1 ZINC000433622293 1019464678 /nfs/dbraw/zinc/46/46/78/1019464678.db2.gz QKOZPDUTQPVWRS-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(NCc2cccc3[nH+]ccn32)c(C)c1 ZINC000340701415 1019470734 /nfs/dbraw/zinc/47/07/34/1019470734.db2.gz PYLNYKFCZJNGEN-HNNXBMFYSA-N 1 2 336.439 3.783 20 0 EHADLO Cc1cnc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)nc1 ZINC000340701678 1019472469 /nfs/dbraw/zinc/47/24/69/1019472469.db2.gz OWJPDIUXJBRPTI-UHFFFAOYSA-N 1 2 347.462 3.759 20 0 EHADLO Cc1cnc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)nc1 ZINC000340701678 1019472474 /nfs/dbraw/zinc/47/24/74/1019472474.db2.gz OWJPDIUXJBRPTI-UHFFFAOYSA-N 1 2 347.462 3.759 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683967738 1019535381 /nfs/dbraw/zinc/53/53/81/1019535381.db2.gz YNNQQXMQWTWMST-CQSZACIVSA-N 1 2 340.404 3.697 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)N(C)C)c(Cl)c3)c[nH+]c12 ZINC000340716032 1019582147 /nfs/dbraw/zinc/58/21/47/1019582147.db2.gz YFPHEKLYSDOMDC-UHFFFAOYSA-N 1 2 342.830 3.610 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCCN(C)c2ccccc2)n1 ZINC000580546768 1019601500 /nfs/dbraw/zinc/60/15/00/1019601500.db2.gz GIBNABJULHEYOT-OAHLLOKOSA-N 1 2 348.516 3.842 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCN(C)c2ccccc2)n1 ZINC000580546768 1019601513 /nfs/dbraw/zinc/60/15/13/1019601513.db2.gz GIBNABJULHEYOT-OAHLLOKOSA-N 1 2 348.516 3.842 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000340728726 1019651347 /nfs/dbraw/zinc/65/13/47/1019651347.db2.gz NAYWBAOYFHZNPM-DZGCQCFKSA-N 1 2 336.505 3.781 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000340728726 1019651354 /nfs/dbraw/zinc/65/13/54/1019651354.db2.gz NAYWBAOYFHZNPM-DZGCQCFKSA-N 1 2 336.505 3.781 20 0 EHADLO CC(C)n1ncnc1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000683992934 1019669375 /nfs/dbraw/zinc/66/93/75/1019669375.db2.gz RSZKUNLMPJNRTM-UHFFFAOYSA-N 1 2 342.443 3.533 20 0 EHADLO CC(C)n1ncnc1C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000683992934 1019669386 /nfs/dbraw/zinc/66/93/86/1019669386.db2.gz RSZKUNLMPJNRTM-UHFFFAOYSA-N 1 2 342.443 3.533 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCc2ncsc2C1 ZINC000656257984 1019713366 /nfs/dbraw/zinc/71/33/66/1019713366.db2.gz NWGWLCVIFZBDKU-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCc2ncsc2C1 ZINC000656257984 1019713377 /nfs/dbraw/zinc/71/33/77/1019713377.db2.gz NWGWLCVIFZBDKU-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c(C)cccc2Br)c[nH+]1 ZINC000397060158 1032849190 /nfs/dbraw/zinc/84/91/90/1032849190.db2.gz WOCNTASRGMZRDZ-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974701 1019748092 /nfs/dbraw/zinc/74/80/92/1019748092.db2.gz MOISRSVHMFMHFF-GFCCVEGCSA-N 1 2 331.485 3.725 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974701 1019748109 /nfs/dbraw/zinc/74/81/09/1019748109.db2.gz MOISRSVHMFMHFF-GFCCVEGCSA-N 1 2 331.485 3.725 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000580623188 1019758563 /nfs/dbraw/zinc/75/85/63/1019758563.db2.gz OJMXOIQSPAQSRR-UHFFFAOYSA-N 1 2 338.455 3.762 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000430497739 1019779495 /nfs/dbraw/zinc/77/94/95/1019779495.db2.gz UWRBSCJYQCCOOS-XQRVVYSFSA-N 1 2 343.446 3.927 20 0 EHADLO O=C(CCC1CCCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684019297 1019820985 /nfs/dbraw/zinc/82/09/85/1019820985.db2.gz BOBOAQXAIKBNID-UHFFFAOYSA-N 1 2 339.483 3.783 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000684020904 1019831589 /nfs/dbraw/zinc/83/15/89/1019831589.db2.gz NHGTYXVFSNSAFY-UHFFFAOYSA-N 1 2 348.450 3.826 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024899 1019835693 /nfs/dbraw/zinc/83/56/93/1019835693.db2.gz HEQIMRBTGUSVIP-UHFFFAOYSA-N 1 2 325.378 3.626 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024899 1019835708 /nfs/dbraw/zinc/83/57/08/1019835708.db2.gz HEQIMRBTGUSVIP-UHFFFAOYSA-N 1 2 325.378 3.626 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043801 1020040304 /nfs/dbraw/zinc/04/03/04/1020040304.db2.gz GEYOVXCDHYDOIG-DYVFJYSZSA-N 1 2 344.480 3.745 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043801 1020040316 /nfs/dbraw/zinc/04/03/16/1020040316.db2.gz GEYOVXCDHYDOIG-DYVFJYSZSA-N 1 2 344.480 3.745 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000476115992 1032875722 /nfs/dbraw/zinc/87/57/22/1032875722.db2.gz ABVHFERAROLPEM-XJKSGUPXSA-N 1 2 347.409 3.708 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cnn1C(C)(C)C ZINC000345279866 1020108978 /nfs/dbraw/zinc/10/89/78/1020108978.db2.gz VDGDKIHENNEDTJ-HNNXBMFYSA-N 1 2 337.471 3.983 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccsc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528829141 1032878573 /nfs/dbraw/zinc/87/85/73/1032878573.db2.gz POWREUCJFISEAY-PWSUYJOCSA-N 1 2 343.374 3.687 20 0 EHADLO Cc1sc2ncnc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1C ZINC000345343737 1020164124 /nfs/dbraw/zinc/16/41/24/1020164124.db2.gz PUHTWTDOZBZLRA-SMDDNHRTSA-N 1 2 327.457 3.592 20 0 EHADLO Cc1ccc2occ(CC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000528828888 1032880362 /nfs/dbraw/zinc/88/03/62/1032880362.db2.gz PBQHNPOAXJCYAC-YJBOKZPZSA-N 1 2 337.423 3.590 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2nccs2)cc1 ZINC000280227031 1020210988 /nfs/dbraw/zinc/21/09/88/1020210988.db2.gz JOHHKKAZYPKAOD-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2nccs2)cc1 ZINC000280227031 1020210997 /nfs/dbraw/zinc/21/09/97/1020210997.db2.gz JOHHKKAZYPKAOD-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345450005 1020262712 /nfs/dbraw/zinc/26/27/12/1020262712.db2.gz OYGODCFBPKFTFR-HNNXBMFYSA-N 1 2 331.504 3.998 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155924986 1020267576 /nfs/dbraw/zinc/26/75/76/1020267576.db2.gz GKAXCSPGPYOOTC-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@H]1CCC[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345466999 1020279416 /nfs/dbraw/zinc/27/94/16/1020279416.db2.gz RCZFDJDWHVEUGP-DOTOQJQBSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H]1CC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H](C)C1 ZINC000345472720 1020285309 /nfs/dbraw/zinc/28/53/09/1020285309.db2.gz ZBZNGBKVBBNWQD-HZPDHXFCSA-N 1 2 343.515 3.998 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000255913203 1020292147 /nfs/dbraw/zinc/29/21/47/1020292147.db2.gz BVUIUQALABTWPK-CRFLGQKZSA-N 1 2 335.860 3.721 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC000510362635 1020300111 /nfs/dbraw/zinc/30/01/11/1020300111.db2.gz OOIRTVMOLBDRLN-ZACQAIPSSA-N 1 2 329.488 3.629 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000581039007 1020371121 /nfs/dbraw/zinc/37/11/21/1020371121.db2.gz IRNHAPDFMGTYAV-UXHICEINSA-N 1 2 333.472 3.635 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000581039007 1020371130 /nfs/dbraw/zinc/37/11/30/1020371130.db2.gz IRNHAPDFMGTYAV-UXHICEINSA-N 1 2 333.472 3.635 20 0 EHADLO Cc1cnc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)s1 ZINC000581081886 1020411939 /nfs/dbraw/zinc/41/19/39/1020411939.db2.gz GYKPQRYICXUJDH-LBPRGKRZSA-N 1 2 334.832 3.806 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000528825607 1032900013 /nfs/dbraw/zinc/90/00/13/1032900013.db2.gz DQTJQZVQGQSRDF-KCQAQPDRSA-N 1 2 347.459 3.685 20 0 EHADLO FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](CCn2cc(Cl)cn2)C1 ZINC000656417066 1020467990 /nfs/dbraw/zinc/46/79/90/1020467990.db2.gz PGJFNCQFBLEMOG-IUCAKERBSA-N 1 2 349.706 3.599 20 0 EHADLO Cn1nncc1C[N@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000093814141 1032907609 /nfs/dbraw/zinc/90/76/09/1032907609.db2.gz SMMVDCYRSBKSFO-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1nncc1C[N@@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000093814141 1032907624 /nfs/dbraw/zinc/90/76/24/1032907624.db2.gz SMMVDCYRSBKSFO-SFHVURJKSA-N 1 2 344.821 3.829 20 0 EHADLO O=C(Nc1cccc2c1CCCC2)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000684161770 1020531216 /nfs/dbraw/zinc/53/12/16/1020531216.db2.gz FPHFYBPUUBOMAW-FQEVSTJZSA-N 1 2 335.451 3.564 20 0 EHADLO O=C(Nc1cccc2c1CCCC2)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000684161770 1020531224 /nfs/dbraw/zinc/53/12/24/1020531224.db2.gz FPHFYBPUUBOMAW-FQEVSTJZSA-N 1 2 335.451 3.564 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(Cl)c(Cl)cn3)[nH+]c12 ZINC000072529426 1020533471 /nfs/dbraw/zinc/53/34/71/1020533471.db2.gz QAGCJOGIKXUKOZ-UHFFFAOYSA-N 1 2 335.194 3.526 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2ccnn2-c2ccccc2)c(F)c1F ZINC000430032513 1020610171 /nfs/dbraw/zinc/61/01/71/1020610171.db2.gz CRCFLUPUWNFUAR-UHFFFAOYSA-N 1 2 335.304 3.719 20 0 EHADLO COCCC1(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCCC1 ZINC000548157573 1020612851 /nfs/dbraw/zinc/61/28/51/1020612851.db2.gz PFAUKUBBQHKQEM-UHFFFAOYSA-N 1 2 344.459 3.751 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340936327 1020651089 /nfs/dbraw/zinc/65/10/89/1020651089.db2.gz OTUMEIPFXNXVKP-HZPDHXFCSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)N1CCc2[nH+]c[nH]c2C1 ZINC000639646391 1020657328 /nfs/dbraw/zinc/65/73/28/1020657328.db2.gz POTJUWUHPOMKCW-CYBMUJFWSA-N 1 2 345.406 3.732 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000430200170 1020669446 /nfs/dbraw/zinc/66/94/46/1020669446.db2.gz GDDHUAWOGUJFQD-LLVKDONJSA-N 1 2 325.817 3.948 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340969066 1020703188 /nfs/dbraw/zinc/70/31/88/1020703188.db2.gz ZUZYWVWAIBQNOV-HZPDHXFCSA-N 1 2 332.492 3.696 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000340970205 1020706935 /nfs/dbraw/zinc/70/69/35/1020706935.db2.gz UHIOIXHCGHUTRH-UHFFFAOYSA-N 1 2 344.503 3.840 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+][C@H]3CCSC3)c3ccccc3)n2)cc1 ZINC000581345249 1020718405 /nfs/dbraw/zinc/71/84/05/1020718405.db2.gz HFWUUZSATRJFPN-DLBZAZTESA-N 1 2 337.448 3.921 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(C2CC2)cc1 ZINC000419584312 1020723521 /nfs/dbraw/zinc/72/35/21/1020723521.db2.gz MCZBOHANJOCZCE-AWEZNQCLSA-N 1 2 338.455 3.937 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(C2CC2)cc1 ZINC000419584312 1020723525 /nfs/dbraw/zinc/72/35/25/1020723525.db2.gz MCZBOHANJOCZCE-AWEZNQCLSA-N 1 2 338.455 3.937 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000933175037 1020726029 /nfs/dbraw/zinc/72/60/29/1020726029.db2.gz NGDDQVFGOAFZFJ-ZIAGYGMSSA-N 1 2 345.468 3.660 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000933175037 1020726036 /nfs/dbraw/zinc/72/60/36/1020726036.db2.gz NGDDQVFGOAFZFJ-ZIAGYGMSSA-N 1 2 345.468 3.660 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)cc2[nH+]1 ZINC000340976931 1020734830 /nfs/dbraw/zinc/73/48/30/1020734830.db2.gz SDOFFPUWCJICEM-ZBEGNZNMSA-N 1 2 348.406 3.718 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340982163 1020751604 /nfs/dbraw/zinc/75/16/04/1020751604.db2.gz ZDTFNBHBKFOSDC-WOJBJXKFSA-N 1 2 349.478 3.882 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000933262798 1020837308 /nfs/dbraw/zinc/83/73/08/1020837308.db2.gz JNEOZJPOIWZCAP-UHFFFAOYSA-N 1 2 341.789 3.716 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000933262798 1020837314 /nfs/dbraw/zinc/83/73/14/1020837314.db2.gz JNEOZJPOIWZCAP-UHFFFAOYSA-N 1 2 341.789 3.716 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1cccnc1 ZINC000156193777 1020838503 /nfs/dbraw/zinc/83/85/03/1020838503.db2.gz PCTXQKIZLOJTCN-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1cccnc1 ZINC000156193777 1020838509 /nfs/dbraw/zinc/83/85/09/1020838509.db2.gz PCTXQKIZLOJTCN-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO COC[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000341117385 1020980381 /nfs/dbraw/zinc/98/03/81/1020980381.db2.gz KETHFBDYBLUDHM-OAHLLOKOSA-N 1 2 332.835 3.752 20 0 EHADLO COC[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000341117385 1020980386 /nfs/dbraw/zinc/98/03/86/1020980386.db2.gz KETHFBDYBLUDHM-OAHLLOKOSA-N 1 2 332.835 3.752 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000548186538 1021051485 /nfs/dbraw/zinc/05/14/85/1021051485.db2.gz BELZBHSEGDDMJT-VQIMIIECSA-N 1 2 340.471 3.799 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000341201957 1021092529 /nfs/dbraw/zinc/09/25/29/1021092529.db2.gz AFXPCINRZPIDLX-INIZCTEOSA-N 1 2 346.434 3.888 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)sc1C ZINC000341204097 1021095286 /nfs/dbraw/zinc/09/52/86/1021095286.db2.gz DXTYSNCTADOSPE-VHSXEESVSA-N 1 2 339.411 3.716 20 0 EHADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)c1 ZINC000276361383 1021098296 /nfs/dbraw/zinc/09/82/96/1021098296.db2.gz VXBNKBVZAKOGQT-KGLIPLIRSA-N 1 2 329.448 3.599 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccsc2)c(C)n1-c1nccs1 ZINC000126603266 1021106645 /nfs/dbraw/zinc/10/66/45/1021106645.db2.gz SSUJGQZUYOZCEC-UHFFFAOYSA-N 1 2 345.493 3.927 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccsc2)c(C)n1-c1nccs1 ZINC000126603266 1021106649 /nfs/dbraw/zinc/10/66/49/1021106649.db2.gz SSUJGQZUYOZCEC-UHFFFAOYSA-N 1 2 345.493 3.927 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCCOc3c(F)cccc32)c(C)[nH+]1 ZINC001266762907 1021109849 /nfs/dbraw/zinc/10/98/49/1021109849.db2.gz OAXMJRKRTCQXTM-INIZCTEOSA-N 1 2 328.387 3.790 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@]2(CC2(F)F)C1 ZINC000593523333 1032956855 /nfs/dbraw/zinc/95/68/55/1032956855.db2.gz XMPKDXMCPZXDLG-QGZVFWFLSA-N 1 2 332.350 3.647 20 0 EHADLO Cc1nnc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000276389996 1021149889 /nfs/dbraw/zinc/14/98/89/1021149889.db2.gz IEGDUFZMRMVTPP-UHFFFAOYSA-N 1 2 331.363 3.770 20 0 EHADLO COCc1csc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000656685680 1021167118 /nfs/dbraw/zinc/16/71/18/1021167118.db2.gz XLSHONRPWBRGBZ-LLVKDONJSA-N 1 2 347.415 3.934 20 0 EHADLO O=C(CCc1cccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341243716 1021167529 /nfs/dbraw/zinc/16/75/29/1021167529.db2.gz RVYKMJRIEGOGIF-UHFFFAOYSA-N 1 2 331.485 3.596 20 0 EHADLO COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000656686418 1021167724 /nfs/dbraw/zinc/16/77/24/1021167724.db2.gz JZWODPQTHJPYMT-UHFFFAOYSA-N 1 2 325.277 3.681 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1cc(F)ccc1F ZINC000051119471 1021184352 /nfs/dbraw/zinc/18/43/52/1021184352.db2.gz HHFVUILNTMFHLV-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1cc(F)ccc1F ZINC000051119471 1021184362 /nfs/dbraw/zinc/18/43/62/1021184362.db2.gz HHFVUILNTMFHLV-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581637461 1021228257 /nfs/dbraw/zinc/22/82/57/1021228257.db2.gz XREPCKANJVAAMU-HIFRSBDPSA-N 1 2 338.386 3.883 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1(Cc2ccccc2)CCC1 ZINC000341279176 1021278247 /nfs/dbraw/zinc/27/82/47/1021278247.db2.gz IYUBIUGQDHWXQP-UHFFFAOYSA-N 1 2 345.446 3.902 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000096719475 1032965615 /nfs/dbraw/zinc/96/56/15/1032965615.db2.gz BGFFZVRVOTXRGF-UHFFFAOYSA-N 1 2 341.430 3.526 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCC=C2 ZINC000342575033 1021315428 /nfs/dbraw/zinc/31/54/28/1021315428.db2.gz IIODACQZROVSIM-UHFFFAOYSA-N 1 2 343.430 3.821 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000656772877 1021316046 /nfs/dbraw/zinc/31/60/46/1021316046.db2.gz YGRFUINRMIAPJO-KRWDZBQOSA-N 1 2 337.423 3.836 20 0 EHADLO OCCC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000518560970 1021319130 /nfs/dbraw/zinc/31/91/30/1021319130.db2.gz QEKYAKMFSFAXRU-UHFFFAOYSA-N 1 2 335.245 3.596 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1O ZINC000436904593 1021351717 /nfs/dbraw/zinc/35/17/17/1021351717.db2.gz XOXCYXWZYDOXHS-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1O ZINC000436904593 1021351737 /nfs/dbraw/zinc/35/17/37/1021351737.db2.gz XOXCYXWZYDOXHS-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO C[C@H](c1c(F)cccc1F)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000516364272 1021361526 /nfs/dbraw/zinc/36/15/26/1021361526.db2.gz NRDTZLJDYKURQL-CYBMUJFWSA-N 1 2 348.397 3.564 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3Cc4c[nH]nc4CC(C)(C)C3)co2)cc1 ZINC000664873006 1021386997 /nfs/dbraw/zinc/38/69/97/1021386997.db2.gz ZLGGGNVCASQDMU-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3Cc4c[nH]nc4CC(C)(C)C3)co2)cc1 ZINC000664873006 1021387011 /nfs/dbraw/zinc/38/70/11/1021387011.db2.gz ZLGGGNVCASQDMU-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO CCc1nc(C)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341321559 1021421867 /nfs/dbraw/zinc/42/18/67/1021421867.db2.gz XZEZKNQFEJRYFW-UHFFFAOYSA-N 1 2 346.500 3.543 20 0 EHADLO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000439483545 1021491213 /nfs/dbraw/zinc/49/12/13/1021491213.db2.gz LEHZYAWLNXQVGG-GFCCVEGCSA-N 1 2 348.468 3.647 20 0 EHADLO CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000439483545 1021491215 /nfs/dbraw/zinc/49/12/15/1021491215.db2.gz LEHZYAWLNXQVGG-GFCCVEGCSA-N 1 2 348.468 3.647 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000607091896 1032983380 /nfs/dbraw/zinc/98/33/80/1032983380.db2.gz JASWTYBSONVOSV-HNNXBMFYSA-N 1 2 330.859 3.519 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000607091896 1032983381 /nfs/dbraw/zinc/98/33/81/1032983381.db2.gz JASWTYBSONVOSV-HNNXBMFYSA-N 1 2 330.859 3.519 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@H](COCC(C)C)c3ccco3)n2c1 ZINC000156354883 1021519686 /nfs/dbraw/zinc/51/96/86/1021519686.db2.gz UGVDUHWLQGJVRW-QGZVFWFLSA-N 1 2 327.428 3.739 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000341365859 1021552274 /nfs/dbraw/zinc/55/22/74/1021552274.db2.gz RBJDERXDOVXLSH-UHFFFAOYSA-N 1 2 326.831 3.908 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CCCC4)CC2)s1 ZINC000473879758 1021558177 /nfs/dbraw/zinc/55/81/77/1021558177.db2.gz WAEADCQXFBIRDK-QGZVFWFLSA-N 1 2 332.513 3.535 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000341381280 1021620869 /nfs/dbraw/zinc/62/08/69/1021620869.db2.gz URAZFNHNNLCPNH-HNNXBMFYSA-N 1 2 342.270 3.902 20 0 EHADLO CCCCn1c(SCc2cc(C)on2)nnc1[C@H](CC)[NH+](C)C ZINC000078966087 1021625577 /nfs/dbraw/zinc/62/55/77/1021625577.db2.gz BVKQGVYYYNQQAM-AWEZNQCLSA-N 1 2 337.493 3.680 20 0 EHADLO C[C@@H](N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1(C)CC1 ZINC000437199336 1021635163 /nfs/dbraw/zinc/63/51/63/1021635163.db2.gz QMMACUWKJRMGIR-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC(F)(F)C1 ZINC000440588680 1021641401 /nfs/dbraw/zinc/64/14/01/1021641401.db2.gz MVDLMIPSLWIJIG-UHFFFAOYSA-N 1 2 331.366 3.870 20 0 EHADLO Cc1c[nH+]c(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1C ZINC000341388572 1021662478 /nfs/dbraw/zinc/66/24/78/1021662478.db2.gz ICLDVKYEKZZFOG-UHFFFAOYSA-N 1 2 335.333 3.545 20 0 EHADLO CC(C)(C)c1ccncc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000519811703 1021697882 /nfs/dbraw/zinc/69/78/82/1021697882.db2.gz OOYARLJCUGHMDV-KRWDZBQOSA-N 1 2 327.476 3.908 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000519809357 1021697944 /nfs/dbraw/zinc/69/79/44/1021697944.db2.gz AVAONMICULNBKJ-FVQBIDKESA-N 1 2 343.858 3.936 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(F)(F)F)n2)C1 ZINC000079701243 1021702364 /nfs/dbraw/zinc/70/23/64/1021702364.db2.gz IYADXDDJOGFJSN-JTQLQIEISA-N 1 2 335.395 3.656 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(F)(F)F)n2)C1 ZINC000079701243 1021702376 /nfs/dbraw/zinc/70/23/76/1021702376.db2.gz IYADXDDJOGFJSN-JTQLQIEISA-N 1 2 335.395 3.656 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289306223 1021706344 /nfs/dbraw/zinc/70/63/44/1021706344.db2.gz ITIRSNMXRNGWQH-DZGCQCFKSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289306223 1021706360 /nfs/dbraw/zinc/70/63/60/1021706360.db2.gz ITIRSNMXRNGWQH-DZGCQCFKSA-N 1 2 345.393 3.566 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@@H](C)O1 ZINC000439772006 1021712101 /nfs/dbraw/zinc/71/21/01/1021712101.db2.gz FNAAYRMUONWFRS-UKRRQHHQSA-N 1 2 335.444 3.790 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@@H](C)O1 ZINC000439772006 1021712117 /nfs/dbraw/zinc/71/21/17/1021712117.db2.gz FNAAYRMUONWFRS-UKRRQHHQSA-N 1 2 335.444 3.790 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000897619671 1032998099 /nfs/dbraw/zinc/99/80/99/1032998099.db2.gz SRNLAWQUIGXJPF-RDJZCZTQSA-N 1 2 329.419 3.518 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC1 ZINC000440700564 1021721855 /nfs/dbraw/zinc/72/18/55/1021721855.db2.gz GQDQYGNDXNYIDM-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO COC(=O)CC1(C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)CC1 ZINC000440700564 1021721871 /nfs/dbraw/zinc/72/18/71/1021721871.db2.gz GQDQYGNDXNYIDM-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO CC(C)c1cc(NCc2nccn2CC(F)(F)F)nc(C(C)C)[nH+]1 ZINC000341401136 1021724578 /nfs/dbraw/zinc/72/45/78/1021724578.db2.gz YBNUSOBAYOQIAE-UHFFFAOYSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnn(C2CCC2)c1 ZINC000891487120 1021739456 /nfs/dbraw/zinc/73/94/56/1021739456.db2.gz SOXZXMGNLCQWJI-UHFFFAOYSA-N 1 2 344.434 3.596 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnn(C2CCC2)c1 ZINC000891487120 1021739467 /nfs/dbraw/zinc/73/94/67/1021739467.db2.gz SOXZXMGNLCQWJI-UHFFFAOYSA-N 1 2 344.434 3.596 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3Cc4ccccc4C[C@@H]3C(N)=O)o2)cc1 ZINC000506035226 1021750410 /nfs/dbraw/zinc/75/04/10/1021750410.db2.gz NTOUVFNUPUBJTG-HXUWFJFHSA-N 1 2 346.430 3.667 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3Cc4ccccc4C[C@@H]3C(N)=O)o2)cc1 ZINC000506035226 1021750423 /nfs/dbraw/zinc/75/04/23/1021750423.db2.gz NTOUVFNUPUBJTG-HXUWFJFHSA-N 1 2 346.430 3.667 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1c(F)cccc1F ZINC000519002280 1021751303 /nfs/dbraw/zinc/75/13/03/1021751303.db2.gz ZPLKTEDSQSKTCQ-MJBXVCDLSA-N 1 2 344.405 3.982 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482532 1021758916 /nfs/dbraw/zinc/75/89/16/1021758916.db2.gz MMXCJKYWNFSYJM-NVXWUHKLSA-N 1 2 349.434 3.783 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482532 1021758929 /nfs/dbraw/zinc/75/89/29/1021758929.db2.gz MMXCJKYWNFSYJM-NVXWUHKLSA-N 1 2 349.434 3.783 20 0 EHADLO CNc1cc(N2CCC(c3nc4ccccc4s3)CC2)nc[nH+]1 ZINC000891495424 1021759524 /nfs/dbraw/zinc/75/95/24/1021759524.db2.gz MXIBRUOWLLZOCP-UHFFFAOYSA-N 1 2 325.441 3.512 20 0 EHADLO CNc1cc(N2CCC(c3nc4ccccc4s3)CC2)[nH+]cn1 ZINC000891495424 1021759536 /nfs/dbraw/zinc/75/95/36/1021759536.db2.gz MXIBRUOWLLZOCP-UHFFFAOYSA-N 1 2 325.441 3.512 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000437435447 1021836695 /nfs/dbraw/zinc/83/66/95/1021836695.db2.gz VEFVXFDZNGTFDB-WKILWMFISA-N 1 2 349.409 3.996 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C(C)C)c(C)c1 ZINC000440878592 1021838192 /nfs/dbraw/zinc/83/81/92/1021838192.db2.gz NJQIJRYFBRONCK-IEBWSBKVSA-N 1 2 342.487 3.833 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccccc3)C3CCC3)[nH+]c12 ZINC000519127619 1021880541 /nfs/dbraw/zinc/88/05/41/1021880541.db2.gz JIHMDEBAMRQUQT-FQEVSTJZSA-N 1 2 333.435 3.843 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]2CCC[C@H]2O1 ZINC000440957798 1021889669 /nfs/dbraw/zinc/88/96/69/1021889669.db2.gz MXICTXYCYQITGF-RTBURBONSA-N 1 2 338.451 3.810 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]2CCC[C@H]2O1 ZINC000440957798 1021889680 /nfs/dbraw/zinc/88/96/80/1021889680.db2.gz MXICTXYCYQITGF-RTBURBONSA-N 1 2 338.451 3.810 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440962085 1021891986 /nfs/dbraw/zinc/89/19/86/1021891986.db2.gz NOHRBEPFTVEYOA-IEBWSBKVSA-N 1 2 331.456 3.820 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440962085 1021891998 /nfs/dbraw/zinc/89/19/98/1021891998.db2.gz NOHRBEPFTVEYOA-IEBWSBKVSA-N 1 2 331.456 3.820 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccccc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440969195 1021906630 /nfs/dbraw/zinc/90/66/30/1021906630.db2.gz OXZMTTLPPBWYCS-QZTJIDSGSA-N 1 2 329.419 3.543 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccccc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440969195 1021906638 /nfs/dbraw/zinc/90/66/38/1021906638.db2.gz OXZMTTLPPBWYCS-QZTJIDSGSA-N 1 2 329.419 3.543 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000276586513 1021917729 /nfs/dbraw/zinc/91/77/29/1021917729.db2.gz MMBUCMYTDBFFNS-UHFFFAOYSA-N 1 2 347.409 3.602 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441006459 1021921944 /nfs/dbraw/zinc/92/19/44/1021921944.db2.gz BVWLLLCOOTWLSM-IBGZPJMESA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441006459 1021921963 /nfs/dbraw/zinc/92/19/63/1021921963.db2.gz BVWLLLCOOTWLSM-IBGZPJMESA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000519196396 1021927678 /nfs/dbraw/zinc/92/76/78/1021927678.db2.gz ALKQNRRCNFUTFJ-QFBILLFUSA-N 1 2 345.487 3.876 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-n3cncn3)cc2)nc(C2CCC2)[nH+]1 ZINC000891571548 1021956199 /nfs/dbraw/zinc/95/61/99/1021956199.db2.gz BAPGOOGUZMQNOM-AWEZNQCLSA-N 1 2 334.427 3.806 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000437599890 1021972063 /nfs/dbraw/zinc/97/20/63/1021972063.db2.gz HDXLDNQVCGHXNU-WBMJQRKESA-N 1 2 330.255 3.793 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000437599890 1021972071 /nfs/dbraw/zinc/97/20/71/1021972071.db2.gz HDXLDNQVCGHXNU-WBMJQRKESA-N 1 2 330.255 3.793 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC(Cc1ccccc1)Cc1ccccc1 ZINC000520152644 1021982004 /nfs/dbraw/zinc/98/20/04/1021982004.db2.gz PSMSDQAFHZCHRS-UHFFFAOYSA-N 1 2 343.434 3.629 20 0 EHADLO Cn1nc2c(c1C[N@@H+](Cc1ccccc1Cl)CC1CC1)COCC2 ZINC000894396805 1022005451 /nfs/dbraw/zinc/00/54/51/1022005451.db2.gz AZVCPSVCAQWWTQ-UHFFFAOYSA-N 1 2 345.874 3.558 20 0 EHADLO Cn1nc2c(c1C[N@H+](Cc1ccccc1Cl)CC1CC1)COCC2 ZINC000894396805 1022005460 /nfs/dbraw/zinc/00/54/60/1022005460.db2.gz AZVCPSVCAQWWTQ-UHFFFAOYSA-N 1 2 345.874 3.558 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCSC[C@H]2C2CCC2)nc2cc(Cl)ccc12 ZINC000520205829 1022019947 /nfs/dbraw/zinc/01/99/47/1022019947.db2.gz OPMVNGMJRVXBFO-HNNXBMFYSA-N 1 2 349.887 3.706 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCSC[C@H]2C2CCC2)nc2cc(Cl)ccc12 ZINC000520205829 1022019966 /nfs/dbraw/zinc/01/99/66/1022019966.db2.gz OPMVNGMJRVXBFO-HNNXBMFYSA-N 1 2 349.887 3.706 20 0 EHADLO O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926922 1022027045 /nfs/dbraw/zinc/02/70/45/1022027045.db2.gz WPGLPJUOZWNERI-UHFFFAOYSA-N 1 2 342.402 3.844 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000290482848 1022031362 /nfs/dbraw/zinc/03/13/62/1022031362.db2.gz OBTFZOCROSTFGF-UHFFFAOYSA-N 1 2 349.356 3.930 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000290482848 1022031374 /nfs/dbraw/zinc/03/13/74/1022031374.db2.gz OBTFZOCROSTFGF-UHFFFAOYSA-N 1 2 349.356 3.930 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000520224467 1022055050 /nfs/dbraw/zinc/05/50/50/1022055050.db2.gz HSCLWVCOBFYYOW-DOMZBBRYSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000520224467 1022055055 /nfs/dbraw/zinc/05/50/55/1022055055.db2.gz HSCLWVCOBFYYOW-DOMZBBRYSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260316 1022062399 /nfs/dbraw/zinc/06/23/99/1022062399.db2.gz KXJXCPAOQWMGRK-XIKOKIGWSA-N 1 2 328.366 3.566 20 0 EHADLO C[C@H](C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260316 1022062415 /nfs/dbraw/zinc/06/24/15/1022062415.db2.gz KXJXCPAOQWMGRK-XIKOKIGWSA-N 1 2 328.366 3.566 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccco1 ZINC000073618701 1022083036 /nfs/dbraw/zinc/08/30/36/1022083036.db2.gz QJQRNRDTTQGZKH-LBPRGKRZSA-N 1 2 338.810 3.551 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccco1 ZINC000073618701 1022083053 /nfs/dbraw/zinc/08/30/53/1022083053.db2.gz QJQRNRDTTQGZKH-LBPRGKRZSA-N 1 2 338.810 3.551 20 0 EHADLO Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc[nH+]1 ZINC000142956065 1033028565 /nfs/dbraw/zinc/02/85/65/1033028565.db2.gz KNTZPJOJMGCEPU-UHFFFAOYSA-N 1 2 348.284 3.711 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)c(F)c1 ZINC000548300162 1022162336 /nfs/dbraw/zinc/16/23/36/1022162336.db2.gz CQHDBNWSRZTJDF-HXUWFJFHSA-N 1 2 345.389 3.516 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CCO2)c(F)c1 ZINC000548300162 1022162347 /nfs/dbraw/zinc/16/23/47/1022162347.db2.gz CQHDBNWSRZTJDF-HXUWFJFHSA-N 1 2 345.389 3.516 20 0 EHADLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000187638418 1022200550 /nfs/dbraw/zinc/20/05/50/1022200550.db2.gz XUKNZJWUNZTMHA-HNNXBMFYSA-N 1 2 330.241 3.573 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000187638418 1022200563 /nfs/dbraw/zinc/20/05/63/1022200563.db2.gz XUKNZJWUNZTMHA-HNNXBMFYSA-N 1 2 330.241 3.573 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000112430179 1022249651 /nfs/dbraw/zinc/24/96/51/1022249651.db2.gz XNPVYMGOFDAPOZ-SJLPKXTDSA-N 1 2 328.460 3.619 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)c1C ZINC000437957005 1022292393 /nfs/dbraw/zinc/29/23/93/1022292393.db2.gz PWQGKVFQLFNJRR-UHFFFAOYSA-N 1 2 327.403 3.959 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)c1C ZINC000437957005 1022292403 /nfs/dbraw/zinc/29/24/03/1022292403.db2.gz PWQGKVFQLFNJRR-UHFFFAOYSA-N 1 2 327.403 3.959 20 0 EHADLO CC1(C)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000550072635 1022336227 /nfs/dbraw/zinc/33/62/27/1022336227.db2.gz KZTOZGPIVVAPFZ-UHFFFAOYSA-N 1 2 336.505 3.783 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC000341568642 1022349660 /nfs/dbraw/zinc/34/96/60/1022349660.db2.gz UTJZDDPDIBCAGD-UHFFFAOYSA-N 1 2 343.858 3.530 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC000341568642 1022349666 /nfs/dbraw/zinc/34/96/66/1022349666.db2.gz UTJZDDPDIBCAGD-UHFFFAOYSA-N 1 2 343.858 3.530 20 0 EHADLO COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000438115265 1022401441 /nfs/dbraw/zinc/40/14/41/1022401441.db2.gz BWDPLFPTDZLQMM-LBPRGKRZSA-N 1 2 342.374 3.673 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CC=C(C(F)(F)F)CC3)cn2)cc1 ZINC000438122486 1022404491 /nfs/dbraw/zinc/40/44/91/1022404491.db2.gz QXYFKUNWOMEXJO-UHFFFAOYSA-N 1 2 339.336 3.765 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CC=C(C(F)(F)F)CC3)cn2)cc1 ZINC000438122486 1022404493 /nfs/dbraw/zinc/40/44/93/1022404493.db2.gz QXYFKUNWOMEXJO-UHFFFAOYSA-N 1 2 339.336 3.765 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)nc1 ZINC000438126015 1022405743 /nfs/dbraw/zinc/40/57/43/1022405743.db2.gz XPVBSFOISLPMJD-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)nc1 ZINC000438126015 1022405751 /nfs/dbraw/zinc/40/57/51/1022405751.db2.gz XPVBSFOISLPMJD-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000157882991 1022430235 /nfs/dbraw/zinc/43/02/35/1022430235.db2.gz CRCATWWTZWJEFL-CQSZACIVSA-N 1 2 344.842 3.777 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000157882991 1022430243 /nfs/dbraw/zinc/43/02/43/1022430243.db2.gz CRCATWWTZWJEFL-CQSZACIVSA-N 1 2 344.842 3.777 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000657066335 1022451085 /nfs/dbraw/zinc/45/10/85/1022451085.db2.gz TYFMRWGSARFURC-CYBMUJFWSA-N 1 2 346.475 3.578 20 0 EHADLO CC(C)CC1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000440453843 1022454365 /nfs/dbraw/zinc/45/43/65/1022454365.db2.gz FMTODQRKYGFQOM-MRXNPFEDSA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120199248 1022464889 /nfs/dbraw/zinc/46/48/89/1022464889.db2.gz CXLMEVVPYXQYBX-AWEZNQCLSA-N 1 2 335.835 3.674 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120199248 1022464893 /nfs/dbraw/zinc/46/48/93/1022464893.db2.gz CXLMEVVPYXQYBX-AWEZNQCLSA-N 1 2 335.835 3.674 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828459 1022505563 /nfs/dbraw/zinc/50/55/63/1022505563.db2.gz HWIAVVQZZIOYFW-MAUKXSAKSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828459 1022505570 /nfs/dbraw/zinc/50/55/70/1022505570.db2.gz HWIAVVQZZIOYFW-MAUKXSAKSA-N 1 2 329.488 3.644 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1(C2CCCCC2)CC1 ZINC000891741953 1022507642 /nfs/dbraw/zinc/50/76/42/1022507642.db2.gz WAJLVJLILCTROJ-UHFFFAOYSA-N 1 2 342.487 3.594 20 0 EHADLO COc1cccc(C2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC2)c1 ZINC000581952707 1022524025 /nfs/dbraw/zinc/52/40/25/1022524025.db2.gz RXCNPSLLHHZPLP-UHFFFAOYSA-N 1 2 349.434 3.671 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830609 1022527437 /nfs/dbraw/zinc/52/74/37/1022527437.db2.gz AOXMMVGPBKEHHU-QFBILLFUSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830609 1022527442 /nfs/dbraw/zinc/52/74/42/1022527442.db2.gz AOXMMVGPBKEHHU-QFBILLFUSA-N 1 2 341.499 3.860 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)c1cccs1 ZINC000438302568 1022541973 /nfs/dbraw/zinc/54/19/73/1022541973.db2.gz LLHROLBUBKOMEE-OAHLLOKOSA-N 1 2 335.444 3.539 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccc(C)cc2)c1C ZINC000051333834 1022547633 /nfs/dbraw/zinc/54/76/33/1022547633.db2.gz OENKNFSHUDFJTG-OAHLLOKOSA-N 1 2 327.428 3.576 20 0 EHADLO CC(=O)Nc1ccc(C)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438309659 1022549242 /nfs/dbraw/zinc/54/92/42/1022549242.db2.gz VSLARSUKCGQKHJ-UHFFFAOYSA-N 1 2 334.423 3.810 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](c2ccccc2)C(C)C)c1C ZINC000051335261 1022551287 /nfs/dbraw/zinc/55/12/87/1022551287.db2.gz KNXPUFFZHIYNMP-GOSISDBHSA-N 1 2 341.455 3.904 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051335205 1022552252 /nfs/dbraw/zinc/55/22/52/1022552252.db2.gz NZELJBKASVCBJB-UHFFFAOYSA-N 1 2 341.455 3.829 20 0 EHADLO c1cn(Cc2cccc(-c3noc(COc4ccsc4)n3)c2)c[nH+]1 ZINC000346008697 1022563324 /nfs/dbraw/zinc/56/33/24/1022563324.db2.gz DIGVQZQODYCVEX-UHFFFAOYSA-N 1 2 338.392 3.622 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)[nH]1 ZINC000292650559 1022595053 /nfs/dbraw/zinc/59/50/53/1022595053.db2.gz PAJPEPAOTGCYML-HUUCEWRRSA-N 1 2 346.475 3.564 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)[nH]1 ZINC000292650559 1022595067 /nfs/dbraw/zinc/59/50/67/1022595067.db2.gz PAJPEPAOTGCYML-HUUCEWRRSA-N 1 2 346.475 3.564 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C)[C@H](C)O1 ZINC000438370548 1022599377 /nfs/dbraw/zinc/59/93/77/1022599377.db2.gz CUHNBDIOVDHRCV-AGIUHOORSA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C)[C@H](C)O1 ZINC000438370548 1022599384 /nfs/dbraw/zinc/59/93/84/1022599384.db2.gz CUHNBDIOVDHRCV-AGIUHOORSA-N 1 2 349.272 3.995 20 0 EHADLO Cc1c(Cl)cccc1OCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000345983232 1022627010 /nfs/dbraw/zinc/62/70/10/1022627010.db2.gz KYAZAAKJEPCVKD-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCC[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005005 1022639861 /nfs/dbraw/zinc/63/98/61/1022639861.db2.gz KIPATDYYSYLYIH-VYDXJSESSA-N 1 2 329.444 3.935 20 0 EHADLO CCC[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005005 1022639868 /nfs/dbraw/zinc/63/98/68/1022639868.db2.gz KIPATDYYSYLYIH-VYDXJSESSA-N 1 2 329.444 3.935 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579570 1022703849 /nfs/dbraw/zinc/70/38/49/1022703849.db2.gz OMJLKSPSZRGOQM-UONOGXRCSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579570 1022703862 /nfs/dbraw/zinc/70/38/62/1022703862.db2.gz OMJLKSPSZRGOQM-UONOGXRCSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3=CCCC3)n2)O1 ZINC000665010441 1022710055 /nfs/dbraw/zinc/71/00/55/1022710055.db2.gz VMQZLSQBGHKOEC-PBHICJAKSA-N 1 2 325.412 3.599 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3=CCCC3)n2)O1 ZINC000665010441 1022710068 /nfs/dbraw/zinc/71/00/68/1022710068.db2.gz VMQZLSQBGHKOEC-PBHICJAKSA-N 1 2 325.412 3.599 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C)CCCC3)n2)O1 ZINC000665010182 1022711796 /nfs/dbraw/zinc/71/17/96/1022711796.db2.gz SQPWDXJZMNCEFZ-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C)CCCC3)n2)O1 ZINC000665010182 1022711804 /nfs/dbraw/zinc/71/18/04/1022711804.db2.gz SQPWDXJZMNCEFZ-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925103600 1022754035 /nfs/dbraw/zinc/75/40/35/1022754035.db2.gz KYMVXFFGYMRETF-WFASDCNBSA-N 1 2 336.867 3.915 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699021 1022754147 /nfs/dbraw/zinc/75/41/47/1022754147.db2.gz DWRPPAOTBZGDDP-RWMBFGLXSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699021 1022754158 /nfs/dbraw/zinc/75/41/58/1022754158.db2.gz DWRPPAOTBZGDDP-RWMBFGLXSA-N 1 2 334.407 3.677 20 0 EHADLO CCc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000517856463 1022759261 /nfs/dbraw/zinc/75/92/61/1022759261.db2.gz PKKAJWSJPZUOLS-INIZCTEOSA-N 1 2 338.451 3.895 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000053025299 1022800150 /nfs/dbraw/zinc/80/01/50/1022800150.db2.gz ZLHRIKPWSQMMBE-INIZCTEOSA-N 1 2 341.455 3.661 20 0 EHADLO Clc1ccc(C2C[NH+](Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000894743319 1022839786 /nfs/dbraw/zinc/83/97/86/1022839786.db2.gz QLLPXVYUIVPAST-UHFFFAOYSA-N 1 2 338.842 3.579 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)OCCCn1cc[nH+]c1 ZINC000783657780 1033084748 /nfs/dbraw/zinc/08/47/48/1033084748.db2.gz XLKKORCQMUBMRA-KRWDZBQOSA-N 1 2 330.428 3.797 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2sccc2C)cc1 ZINC000008309907 1022852522 /nfs/dbraw/zinc/85/25/22/1022852522.db2.gz ITCNNNYEIPWFND-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2sccc2C)cc1 ZINC000008309907 1022852539 /nfs/dbraw/zinc/85/25/39/1022852539.db2.gz ITCNNNYEIPWFND-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(C)(C)CC[C@@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OC(C)(C)C ZINC000602684343 1033085471 /nfs/dbraw/zinc/08/54/71/1033085471.db2.gz WARIFZMRRSWDPK-UYSNPLJNSA-N 1 2 335.492 3.713 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)cc1 ZINC000367472392 1022882932 /nfs/dbraw/zinc/88/29/32/1022882932.db2.gz KKEBPTKWALQZJK-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)cc1 ZINC000367472392 1022882943 /nfs/dbraw/zinc/88/29/43/1022882943.db2.gz KKEBPTKWALQZJK-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517961224 1022885180 /nfs/dbraw/zinc/88/51/80/1022885180.db2.gz VCBZGSXGQRJSSM-DKSSEZFCSA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517961224 1022885197 /nfs/dbraw/zinc/88/51/97/1022885197.db2.gz VCBZGSXGQRJSSM-DKSSEZFCSA-N 1 2 325.456 3.664 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2ncc(C(C)(C)C)o2)c1C(=O)OC ZINC000520457203 1022897070 /nfs/dbraw/zinc/89/70/70/1022897070.db2.gz CIAQMUBYVVCLGD-UHFFFAOYSA-N 1 2 346.427 3.994 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)c1 ZINC000476279967 1033094309 /nfs/dbraw/zinc/09/43/09/1033094309.db2.gz VHVKWZXMLOUUOR-QRVBRYPASA-N 1 2 325.456 3.650 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1SC ZINC000506328563 1022946397 /nfs/dbraw/zinc/94/63/97/1022946397.db2.gz VFDOJGYTGZKAOA-SFHVURJKSA-N 1 2 329.465 3.991 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)ccc1SC ZINC000506328563 1022946403 /nfs/dbraw/zinc/94/64/03/1022946403.db2.gz VFDOJGYTGZKAOA-SFHVURJKSA-N 1 2 329.465 3.991 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000441463414 1022971883 /nfs/dbraw/zinc/97/18/83/1022971883.db2.gz FMSMJXRFJTXLTM-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000441463414 1022971892 /nfs/dbraw/zinc/97/18/92/1022971892.db2.gz FMSMJXRFJTXLTM-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000506371245 1023015009 /nfs/dbraw/zinc/01/50/09/1023015009.db2.gz URSVJBQMSWPYNJ-YWZLYKJASA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@H](c4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000506371245 1023015025 /nfs/dbraw/zinc/01/50/25/1023015025.db2.gz URSVJBQMSWPYNJ-YWZLYKJASA-N 1 2 339.435 3.592 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000506367835 1023020531 /nfs/dbraw/zinc/02/05/31/1023020531.db2.gz GLWOMLBJHQINSO-IBGZPJMESA-N 1 2 339.483 3.836 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000506367835 1023020542 /nfs/dbraw/zinc/02/05/42/1023020542.db2.gz GLWOMLBJHQINSO-IBGZPJMESA-N 1 2 339.483 3.836 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1c(C)noc1C ZINC000189439904 1023025563 /nfs/dbraw/zinc/02/55/63/1023025563.db2.gz CGGOXXVSKQZWRP-MRXNPFEDSA-N 1 2 328.391 3.857 20 0 EHADLO CSCc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000189481528 1023038154 /nfs/dbraw/zinc/03/81/54/1023038154.db2.gz KCVMBFFZBKWRPE-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000341700628 1023059286 /nfs/dbraw/zinc/05/92/86/1023059286.db2.gz RQCWDMOJKIQKRY-LBPRGKRZSA-N 1 2 345.855 3.998 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341700628 1023059298 /nfs/dbraw/zinc/05/92/98/1023059298.db2.gz RQCWDMOJKIQKRY-LBPRGKRZSA-N 1 2 345.855 3.998 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000294556022 1023059592 /nfs/dbraw/zinc/05/95/92/1023059592.db2.gz LJHFBDVQLDDDAA-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000294556022 1023059598 /nfs/dbraw/zinc/05/95/98/1023059598.db2.gz LJHFBDVQLDDDAA-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000253586345 1023126745 /nfs/dbraw/zinc/12/67/45/1023126745.db2.gz OMTYGUQWZQKQNZ-XIKOKIGWSA-N 1 2 349.500 3.559 20 0 EHADLO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000253586345 1023126755 /nfs/dbraw/zinc/12/67/55/1023126755.db2.gz OMTYGUQWZQKQNZ-XIKOKIGWSA-N 1 2 349.500 3.559 20 0 EHADLO Brc1cccc2c(NCc3nnc(C4CC4)[nH]3)cc[nH+]c12 ZINC000295015980 1023148885 /nfs/dbraw/zinc/14/88/85/1023148885.db2.gz TYZDTYBVMCJLBJ-UHFFFAOYSA-N 1 2 344.216 3.605 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000507151700 1023158998 /nfs/dbraw/zinc/15/89/98/1023158998.db2.gz JOHNWKDCVYCCQC-QRQLOZEOSA-N 1 2 341.499 3.725 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000507220513 1023187802 /nfs/dbraw/zinc/18/78/02/1023187802.db2.gz XGTQLEMENSJUCA-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000507220513 1023187807 /nfs/dbraw/zinc/18/78/07/1023187807.db2.gz XGTQLEMENSJUCA-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)sc2C1 ZINC000507761100 1023189340 /nfs/dbraw/zinc/18/93/40/1023189340.db2.gz UZQOBKHGAXLCHB-HZSPNIEDSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)sc2C1 ZINC000507761100 1023189346 /nfs/dbraw/zinc/18/93/46/1023189346.db2.gz UZQOBKHGAXLCHB-HZSPNIEDSA-N 1 2 333.501 3.676 20 0 EHADLO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000579421371 1023209267 /nfs/dbraw/zinc/20/92/67/1023209267.db2.gz RBZRCYMXXPFRTK-SWLSCSKDSA-N 1 2 337.345 3.512 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000345988540 1023216994 /nfs/dbraw/zinc/21/69/94/1023216994.db2.gz GUFDVNMMBINHFY-TUVASFSCSA-N 1 2 343.393 3.661 20 0 EHADLO COc1ccc(-c2cnc(C[NH+]3CC(C)(C)OC(C)(C)C3)o2)cc1 ZINC000190523613 1023239812 /nfs/dbraw/zinc/23/98/12/1023239812.db2.gz FYZGDMBASKOYGH-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnccc1Oc1ccccc1 ZINC000669651739 1033117430 /nfs/dbraw/zinc/11/74/30/1033117430.db2.gz SAMQPMZKYVDXRC-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3ccco3)o2)CC[C@H]1C(F)(F)F ZINC000190199153 1023267866 /nfs/dbraw/zinc/26/78/66/1023267866.db2.gz OBBSMZIHGQMGSU-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccco3)o2)CC[C@H]1C(F)(F)F ZINC000190199153 1023267872 /nfs/dbraw/zinc/26/78/72/1023267872.db2.gz OBBSMZIHGQMGSU-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CC[C@](NCc1c[nH+]cn1C(C)C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000602730525 1033119862 /nfs/dbraw/zinc/11/98/62/1033119862.db2.gz UHJZODPYJKWAQN-GOSISDBHSA-N 1 2 349.862 3.686 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000441502608 1023301764 /nfs/dbraw/zinc/30/17/64/1023301764.db2.gz RWSOOWHQLKCAOC-IBGZPJMESA-N 1 2 337.398 3.810 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000341777626 1023304997 /nfs/dbraw/zinc/30/49/97/1023304997.db2.gz NDDHPUPVWOYPPM-VQIMIIECSA-N 1 2 339.483 3.738 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143413421 1023307774 /nfs/dbraw/zinc/30/77/74/1023307774.db2.gz QFIJPORSFNBFPE-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143413421 1023307786 /nfs/dbraw/zinc/30/77/86/1023307786.db2.gz QFIJPORSFNBFPE-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913547 1023363693 /nfs/dbraw/zinc/36/36/93/1023363693.db2.gz TVUBCLBJZJNJMX-AWEZNQCLSA-N 1 2 345.281 3.701 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933913547 1023363697 /nfs/dbraw/zinc/36/36/97/1023363697.db2.gz TVUBCLBJZJNJMX-AWEZNQCLSA-N 1 2 345.281 3.701 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2noc3ccccc32)n1 ZINC000593963653 1033128212 /nfs/dbraw/zinc/12/82/12/1033128212.db2.gz RDWDMLJLCOZCJR-GFCCVEGCSA-N 1 2 346.456 3.699 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2noc3ccccc32)n1 ZINC000593963653 1033128220 /nfs/dbraw/zinc/12/82/20/1033128220.db2.gz RDWDMLJLCOZCJR-GFCCVEGCSA-N 1 2 346.456 3.699 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@H]3CCCC[C@H]31)C2 ZINC000476312385 1033130501 /nfs/dbraw/zinc/13/05/01/1033130501.db2.gz YWZZYQAOQCXBJS-XYPHTWIQSA-N 1 2 347.528 3.525 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@H]3CCCC[C@H]31)CC2 ZINC000476312385 1033130519 /nfs/dbraw/zinc/13/05/19/1033130519.db2.gz YWZZYQAOQCXBJS-XYPHTWIQSA-N 1 2 347.528 3.525 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1C ZINC000602745278 1033136035 /nfs/dbraw/zinc/13/60/35/1033136035.db2.gz YAKNWXKTLWDFGF-UHFFFAOYSA-N 1 2 345.292 3.822 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548493029 1023666957 /nfs/dbraw/zinc/66/69/57/1023666957.db2.gz MSPNMFOATNWCMV-VBKZILBWSA-N 1 2 341.455 3.950 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548493029 1023666961 /nfs/dbraw/zinc/66/69/61/1023666961.db2.gz MSPNMFOATNWCMV-VBKZILBWSA-N 1 2 341.455 3.950 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548493028 1023667337 /nfs/dbraw/zinc/66/73/37/1023667337.db2.gz MSPNMFOATNWCMV-JLTOFOAXSA-N 1 2 341.455 3.950 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548493028 1023667341 /nfs/dbraw/zinc/66/73/41/1023667341.db2.gz MSPNMFOATNWCMV-JLTOFOAXSA-N 1 2 341.455 3.950 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)cc1 ZINC000341898417 1023668631 /nfs/dbraw/zinc/66/86/31/1023668631.db2.gz TWWSRSJJMMJVFG-SFHVURJKSA-N 1 2 337.423 3.648 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000341915393 1023674654 /nfs/dbraw/zinc/67/46/54/1023674654.db2.gz UEHTYNHCXZXNQW-SFHVURJKSA-N 1 2 348.368 3.774 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000341915393 1023674657 /nfs/dbraw/zinc/67/46/57/1023674657.db2.gz UEHTYNHCXZXNQW-SFHVURJKSA-N 1 2 348.368 3.774 20 0 EHADLO CN(Cc1ccccc1F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341935642 1023707441 /nfs/dbraw/zinc/70/74/41/1023707441.db2.gz ZVDLYTUXWVJUOF-KRWDZBQOSA-N 1 2 337.398 3.729 20 0 EHADLO CCOc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341938616 1023709397 /nfs/dbraw/zinc/70/93/97/1023709397.db2.gz DOZRAJCLNVSVOO-GOSISDBHSA-N 1 2 335.407 3.969 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)n1 ZINC000594008680 1033157090 /nfs/dbraw/zinc/15/70/90/1033157090.db2.gz UOVKCFBUOGWEHR-KBPBESRZSA-N 1 2 332.473 3.577 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)n1 ZINC000594008680 1033157100 /nfs/dbraw/zinc/15/71/00/1033157100.db2.gz UOVKCFBUOGWEHR-KBPBESRZSA-N 1 2 332.473 3.577 20 0 EHADLO CCCCCc1nnc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000144623080 1023739496 /nfs/dbraw/zinc/73/94/96/1023739496.db2.gz QOOXEUKTEBLCSA-OAHLLOKOSA-N 1 2 332.473 3.512 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000341995581 1023749403 /nfs/dbraw/zinc/74/94/03/1023749403.db2.gz GSXYWJAMGNWWOA-VXGBXAGGSA-N 1 2 341.386 3.633 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000684618118 1023859215 /nfs/dbraw/zinc/85/92/15/1023859215.db2.gz ZRJNXQCHGGVTSF-UHFFFAOYSA-N 1 2 338.879 3.572 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000684618118 1023859224 /nfs/dbraw/zinc/85/92/24/1023859224.db2.gz ZRJNXQCHGGVTSF-UHFFFAOYSA-N 1 2 338.879 3.572 20 0 EHADLO COCC[N@H+](Cn1nc(-c2ccc(C)cc2)[nH]c1=S)C1CCCC1 ZINC000065188492 1023875055 /nfs/dbraw/zinc/87/50/55/1023875055.db2.gz VPQMFSGCSSXVIB-UHFFFAOYSA-N 1 2 346.500 3.765 20 0 EHADLO COCC[N@@H+](Cn1nc(-c2ccc(C)cc2)[nH]c1=S)C1CCCC1 ZINC000065188492 1023875063 /nfs/dbraw/zinc/87/50/63/1023875063.db2.gz VPQMFSGCSSXVIB-UHFFFAOYSA-N 1 2 346.500 3.765 20 0 EHADLO Cc1noc2ncnc(Nc3c[nH+]c(N4CCCC[C@@H]4C)c(C)c3)c12 ZINC000669656358 1033173297 /nfs/dbraw/zinc/17/32/97/1033173297.db2.gz NJBHPBXXTAKVEK-LBPRGKRZSA-N 1 2 338.415 3.752 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000574454082 1033174722 /nfs/dbraw/zinc/17/47/22/1033174722.db2.gz OXJDSHHXBYKHDU-VQTJNVASSA-N 1 2 342.483 3.674 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468324 1033175744 /nfs/dbraw/zinc/17/57/44/1033175744.db2.gz FOEQJSGCRAZJNV-QGZVFWFLSA-N 1 2 344.459 3.907 20 0 EHADLO CCOc1ccc(Oc2cc(C[NH2+]Cc3cocn3)ccn2)cc1 ZINC000192289132 1023980765 /nfs/dbraw/zinc/98/07/65/1023980765.db2.gz DAMQTJIJOOZYDA-UHFFFAOYSA-N 1 2 325.368 3.550 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccccc2F)C2CC2)c[nH+]1 ZINC000459104150 1023983521 /nfs/dbraw/zinc/98/35/21/1023983521.db2.gz BPRKMNNFCUVCEU-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccoc3Cl)n2)C1 ZINC000192412604 1024002326 /nfs/dbraw/zinc/00/23/26/1024002326.db2.gz SYKGEBQLCJQDJO-JTQLQIEISA-N 1 2 339.848 3.874 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccoc3Cl)n2)C1 ZINC000192412604 1024002344 /nfs/dbraw/zinc/00/23/44/1024002344.db2.gz SYKGEBQLCJQDJO-JTQLQIEISA-N 1 2 339.848 3.874 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH2+]Cc2noc3ccccc23)s1 ZINC000895233274 1024036940 /nfs/dbraw/zinc/03/69/40/1024036940.db2.gz GKEGBFNGJAELLH-UHFFFAOYSA-N 1 2 327.331 3.679 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3ccsc3)[nH+]c12 ZINC000522238895 1024082626 /nfs/dbraw/zinc/08/26/26/1024082626.db2.gz UBGDAQZMTGHAHH-MRXNPFEDSA-N 1 2 325.437 3.610 20 0 EHADLO CN(c1nc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cs1)C1CC1 ZINC000151285108 1024086726 /nfs/dbraw/zinc/08/67/26/1024086726.db2.gz WEFHMJKSGRSEHQ-KRWDZBQOSA-N 1 2 330.501 3.807 20 0 EHADLO CN(c1nc(C[N@H+]2CCCC[C@H]2c2cccn2C)cs1)C1CC1 ZINC000151285108 1024086742 /nfs/dbraw/zinc/08/67/42/1024086742.db2.gz WEFHMJKSGRSEHQ-KRWDZBQOSA-N 1 2 330.501 3.807 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000151348630 1024103172 /nfs/dbraw/zinc/10/31/72/1024103172.db2.gz LTUJZJQXZDNIOS-JKSUJKDBSA-N 1 2 339.345 3.893 20 0 EHADLO CN(CC1CCCC1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443546448 1024128024 /nfs/dbraw/zinc/12/80/24/1024128024.db2.gz ABTQSLTUKBQRSW-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CN(CC1CCCC1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443546448 1024128033 /nfs/dbraw/zinc/12/80/33/1024128033.db2.gz ABTQSLTUKBQRSW-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CCC[C@H](C)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547505 1024130141 /nfs/dbraw/zinc/13/01/41/1024130141.db2.gz HBZUYOBEXWHKNH-AWEZNQCLSA-N 1 2 337.895 3.528 20 0 EHADLO CCC[C@H](C)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547505 1024130150 /nfs/dbraw/zinc/13/01/50/1024130150.db2.gz HBZUYOBEXWHKNH-AWEZNQCLSA-N 1 2 337.895 3.528 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840012084 1024156526 /nfs/dbraw/zinc/15/65/26/1024156526.db2.gz RHOCSWRTZVLPTO-UZLBHIALSA-N 1 2 347.462 3.540 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840012084 1024156536 /nfs/dbraw/zinc/15/65/36/1024156536.db2.gz RHOCSWRTZVLPTO-UZLBHIALSA-N 1 2 347.462 3.540 20 0 EHADLO C[C@@H](CC(=O)NC(Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC000520588804 1024165935 /nfs/dbraw/zinc/16/59/35/1024165935.db2.gz YOQJAYBOLFTQRJ-SFHVURJKSA-N 1 2 347.462 3.804 20 0 EHADLO Cc1cc(NC(=O)CCCOc2cccc(Br)c2)cc[nH+]1 ZINC000215619168 1024168745 /nfs/dbraw/zinc/16/87/45/1024168745.db2.gz AVIKIRFEICVATQ-UHFFFAOYSA-N 1 2 349.228 3.950 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000434619749 1024186117 /nfs/dbraw/zinc/18/61/17/1024186117.db2.gz UKCZZPJRYQMFHV-IBGZPJMESA-N 1 2 339.418 3.631 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000434619749 1024186129 /nfs/dbraw/zinc/18/61/29/1024186129.db2.gz UKCZZPJRYQMFHV-IBGZPJMESA-N 1 2 339.418 3.631 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000548519374 1024188443 /nfs/dbraw/zinc/18/84/43/1024188443.db2.gz UHKNNDLTHQBNMM-SFHVURJKSA-N 1 2 325.456 3.624 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614701041 1024205732 /nfs/dbraw/zinc/20/57/32/1024205732.db2.gz QBDBYBUIIPODNL-WMZOPIPTSA-N 1 2 345.874 3.797 20 0 EHADLO Cc1cc(N[C@@H](CC(=O)N(C)C)c2ccccc2)nc(C2CCC2)[nH+]1 ZINC000891988710 1024213198 /nfs/dbraw/zinc/21/31/98/1024213198.db2.gz WMGNNCTXRIMMAT-KRWDZBQOSA-N 1 2 338.455 3.684 20 0 EHADLO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522312840 1024215231 /nfs/dbraw/zinc/21/52/31/1024215231.db2.gz VWWPTHGEMAJDGG-LJQANCHMSA-N 1 2 343.515 3.973 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)s1 ZINC000434672141 1024289341 /nfs/dbraw/zinc/28/93/41/1024289341.db2.gz XVNSPQKHFFRXQH-UHFFFAOYSA-N 1 2 332.444 3.994 20 0 EHADLO CC(C)(C)C[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC000507790561 1024302162 /nfs/dbraw/zinc/30/21/62/1024302162.db2.gz YBFIFUXWDNDNDK-UHFFFAOYSA-N 1 2 335.455 3.711 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC000507790561 1024302167 /nfs/dbraw/zinc/30/21/67/1024302167.db2.gz YBFIFUXWDNDNDK-UHFFFAOYSA-N 1 2 335.455 3.711 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CCC[C@]1(C)O ZINC001141769677 1024318763 /nfs/dbraw/zinc/31/87/63/1024318763.db2.gz XRXNWXNVJTYTKV-BONVTDFDSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CCC[C@]1(C)O ZINC001141769677 1024318777 /nfs/dbraw/zinc/31/87/77/1024318777.db2.gz XRXNWXNVJTYTKV-BONVTDFDSA-N 1 2 348.231 3.710 20 0 EHADLO CS[C@@H]1CC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000840118414 1024363743 /nfs/dbraw/zinc/36/37/43/1024363743.db2.gz XYFSFQZIGWQQDW-SNVBAGLBSA-N 1 2 329.441 3.962 20 0 EHADLO CS[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000840118414 1024363760 /nfs/dbraw/zinc/36/37/60/1024363760.db2.gz XYFSFQZIGWQQDW-SNVBAGLBSA-N 1 2 329.441 3.962 20 0 EHADLO Clc1cc(N2CCC(Nc3cccc[nH+]3)CC2)nc2cccnc12 ZINC000895351453 1024364816 /nfs/dbraw/zinc/36/48/16/1024364816.db2.gz XWLRASKIEUYCSQ-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CC(C)(C)[C@H]3c3cccnc3)c1)O[C@@H](C)C2 ZINC000430103527 1024368075 /nfs/dbraw/zinc/36/80/75/1024368075.db2.gz ZJNIXDIHDHAVKB-VBKZILBWSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(c(C[N@H+]3CC(C)(C)[C@H]3c3cccnc3)c1)O[C@@H](C)C2 ZINC000430103527 1024368093 /nfs/dbraw/zinc/36/80/93/1024368093.db2.gz ZJNIXDIHDHAVKB-VBKZILBWSA-N 1 2 338.451 3.997 20 0 EHADLO Fc1ccc(/C=C\C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1F ZINC000520659010 1024374304 /nfs/dbraw/zinc/37/43/04/1024374304.db2.gz OFFITSKCLYIRSJ-ARJAWSKDSA-N 1 2 345.324 3.957 20 0 EHADLO O=C(c1cc2ccccc2s1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505507334 1024391932 /nfs/dbraw/zinc/39/19/32/1024391932.db2.gz QFPRYDIGGKVYLA-MRXNPFEDSA-N 1 2 340.423 3.827 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505513839 1024414427 /nfs/dbraw/zinc/41/44/27/1024414427.db2.gz HYMWHGBQESAJOT-DNVCBOLYSA-N 1 2 332.463 3.905 20 0 EHADLO COc1cc(CNc2ccc3c(c2)CCC[NH2+]3)cc(OC)c1OC ZINC000414853684 1024421365 /nfs/dbraw/zinc/42/13/65/1024421365.db2.gz SPPOOXVMSMLOIE-UHFFFAOYSA-N 1 2 328.412 3.683 20 0 EHADLO CS[C@H]1CCCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425201525 1024436999 /nfs/dbraw/zinc/43/69/99/1024436999.db2.gz ALWMBEPSPLALSP-DLBZAZTESA-N 1 2 343.496 3.676 20 0 EHADLO Cc1cccc(C)c1CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425203107 1024444448 /nfs/dbraw/zinc/44/44/48/1024444448.db2.gz QUUATHCDDCNZAA-FQEVSTJZSA-N 1 2 347.462 3.907 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000840182586 1024464243 /nfs/dbraw/zinc/46/42/43/1024464243.db2.gz HFOFDVULDOCIRR-ZDUSSCGKSA-N 1 2 330.428 3.511 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000840182586 1024464250 /nfs/dbraw/zinc/46/42/50/1024464250.db2.gz HFOFDVULDOCIRR-ZDUSSCGKSA-N 1 2 330.428 3.511 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)n(C)n1 ZINC000417744307 1024475661 /nfs/dbraw/zinc/47/56/61/1024475661.db2.gz YBLUSALNVPCZFC-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)n(C)n1 ZINC000417744307 1024475674 /nfs/dbraw/zinc/47/56/74/1024475674.db2.gz YBLUSALNVPCZFC-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO C[C@@H]1CC[C@@]2(CCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)C1 ZINC000425248698 1024506104 /nfs/dbraw/zinc/50/61/04/1024506104.db2.gz RRGDUEFJPJCCIB-PLMTUMEDSA-N 1 2 337.467 3.970 20 0 EHADLO CC1(C)Cc2ccc(Cl)c(NC(=O)CCCn3cc[nH+]c3)c2O1 ZINC000684676796 1024509615 /nfs/dbraw/zinc/50/96/15/1024509615.db2.gz GKKYESRRJXIMBW-UHFFFAOYSA-N 1 2 333.819 3.669 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)Cc1ccns1 ZINC000895453856 1024510539 /nfs/dbraw/zinc/51/05/39/1024510539.db2.gz QVNDIRQAGJMBCG-UHFFFAOYSA-N 1 2 326.469 3.637 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)Cc1ccns1 ZINC000895453856 1024510552 /nfs/dbraw/zinc/51/05/52/1024510552.db2.gz QVNDIRQAGJMBCG-UHFFFAOYSA-N 1 2 326.469 3.637 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cnccn1 ZINC000280974101 1024512666 /nfs/dbraw/zinc/51/26/66/1024512666.db2.gz LNSKGVBBIPXDLZ-LKFCYVNXSA-N 1 2 345.752 3.533 20 0 EHADLO CSCCCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425257436 1024531329 /nfs/dbraw/zinc/53/13/29/1024531329.db2.gz QWPSSGXRPNUPMM-INIZCTEOSA-N 1 2 331.485 3.581 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459170960 1024531703 /nfs/dbraw/zinc/53/17/03/1024531703.db2.gz IADLNUVIIPOBJH-MRXNPFEDSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1cc(C[NH2+]Cc2nccc(C(F)F)n2)sc1Br ZINC000342247166 1024548553 /nfs/dbraw/zinc/54/85/53/1024548553.db2.gz MSUHSZRXUHEHHC-UHFFFAOYSA-N 1 2 348.216 3.836 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)no1 ZINC000435058888 1024587532 /nfs/dbraw/zinc/58/75/32/1024587532.db2.gz UYRAVQJJTAOROW-FQEVSTJZSA-N 1 2 347.462 3.958 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+](C)[C@H]2CCc3ccccc3C2)no1 ZINC000435058888 1024587545 /nfs/dbraw/zinc/58/75/45/1024587545.db2.gz UYRAVQJJTAOROW-FQEVSTJZSA-N 1 2 347.462 3.958 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C2CC2)cc1 ZINC000665504097 1024588752 /nfs/dbraw/zinc/58/87/52/1024588752.db2.gz FBXBCHBDWSMZAG-SFHVURJKSA-N 1 2 337.467 3.760 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2ccccc2C1 ZINC000665397205 1024607858 /nfs/dbraw/zinc/60/78/58/1024607858.db2.gz XJJIGTXYKMWPBO-PMACEKPBSA-N 1 2 345.446 3.605 20 0 EHADLO O=C(/C=C/C=C(Cl)Cl)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000895560952 1024611678 /nfs/dbraw/zinc/61/16/78/1024611678.db2.gz LOYOLPCNSGNFSQ-GQCTYLIASA-N 1 2 346.283 3.943 20 0 EHADLO COc1ccnc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884669 1024618772 /nfs/dbraw/zinc/61/87/72/1024618772.db2.gz HBTAGJJAFGCBBZ-JKSUJKDBSA-N 1 2 336.395 3.696 20 0 EHADLO C[C@H]1CC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@H](C)C1 ZINC000614671425 1024643598 /nfs/dbraw/zinc/64/35/98/1024643598.db2.gz HHUWGNDCADHLPF-HZPDHXFCSA-N 1 2 349.544 3.680 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)ccc1F ZINC000435133058 1024643902 /nfs/dbraw/zinc/64/39/02/1024643902.db2.gz OIWSVBFSGWLDTQ-LJQANCHMSA-N 1 2 341.386 3.691 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)ccc1F ZINC000435133058 1024643916 /nfs/dbraw/zinc/64/39/16/1024643916.db2.gz OIWSVBFSGWLDTQ-LJQANCHMSA-N 1 2 341.386 3.691 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135439 1024646224 /nfs/dbraw/zinc/64/62/24/1024646224.db2.gz PSTMSTMWEGBZHY-QWRGUYRKSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135439 1024646232 /nfs/dbraw/zinc/64/62/32/1024646232.db2.gz PSTMSTMWEGBZHY-QWRGUYRKSA-N 1 2 334.407 3.941 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139552 1024647882 /nfs/dbraw/zinc/64/78/82/1024647882.db2.gz XIEILRIXEMXHFX-GXFFZTMASA-N 1 2 342.386 3.986 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139552 1024647888 /nfs/dbraw/zinc/64/78/88/1024647888.db2.gz XIEILRIXEMXHFX-GXFFZTMASA-N 1 2 342.386 3.986 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671066 1024648095 /nfs/dbraw/zinc/64/80/95/1024648095.db2.gz ZONXJUWILMWMOH-FUHWJXTLSA-N 1 2 349.544 3.824 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccnn2C2CCC2)[C@@H](C)CO1 ZINC000892098776 1024681276 /nfs/dbraw/zinc/68/12/76/1024681276.db2.gz PCQCXLLCGJONIB-OXJNMPFZSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccnn2C2CCC2)[C@@H](C)CO1 ZINC000892098776 1024681280 /nfs/dbraw/zinc/68/12/80/1024681280.db2.gz PCQCXLLCGJONIB-OXJNMPFZSA-N 1 2 325.456 3.879 20 0 EHADLO Fc1cc2ncc(NCc3cccc(-n4cc[nH+]c4)c3)nc2cc1F ZINC000346406420 1024695784 /nfs/dbraw/zinc/69/57/84/1024695784.db2.gz CWQWEKYVNGYHMT-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000346416306 1024703599 /nfs/dbraw/zinc/70/35/99/1024703599.db2.gz JTLBJQVYAIIESF-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cccc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000346416306 1024703617 /nfs/dbraw/zinc/70/36/17/1024703617.db2.gz JTLBJQVYAIIESF-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313699 1024704543 /nfs/dbraw/zinc/70/45/43/1024704543.db2.gz JAWQZTFDZJEPNX-KRWDZBQOSA-N 1 2 340.402 3.862 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)OCO2 ZINC000435233381 1024716743 /nfs/dbraw/zinc/71/67/43/1024716743.db2.gz UTVUVDXUZXWWIF-UHFFFAOYSA-N 1 2 333.334 3.575 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCc3ccccc3C1)OCO2 ZINC000435233381 1024716753 /nfs/dbraw/zinc/71/67/53/1024716753.db2.gz UTVUVDXUZXWWIF-UHFFFAOYSA-N 1 2 333.334 3.575 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342287124 1024717906 /nfs/dbraw/zinc/71/79/06/1024717906.db2.gz XDYPDJNKWGCBIB-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342287124 1024717919 /nfs/dbraw/zinc/71/79/19/1024717919.db2.gz XDYPDJNKWGCBIB-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)o1 ZINC000895692794 1024726268 /nfs/dbraw/zinc/72/62/68/1024726268.db2.gz WNABIBKHPWKBBQ-PDPNLBHKSA-N 1 2 329.371 3.581 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2)cs1 ZINC000665410698 1024734356 /nfs/dbraw/zinc/73/43/56/1024734356.db2.gz LTUDCFGYNATJEZ-HUUCEWRRSA-N 1 2 338.436 3.594 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000507863087 1024736676 /nfs/dbraw/zinc/73/66/76/1024736676.db2.gz VVGUYYOUYNQPJV-GOSISDBHSA-N 1 2 343.398 3.958 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000507863087 1024736687 /nfs/dbraw/zinc/73/66/87/1024736687.db2.gz VVGUYYOUYNQPJV-GOSISDBHSA-N 1 2 343.398 3.958 20 0 EHADLO C[C@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000425316623 1024739523 /nfs/dbraw/zinc/73/95/23/1024739523.db2.gz QDEHMHLILRNNQY-ZPXGPAEQSA-N 1 2 349.478 3.826 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccc(OCC2CCCCC2)cc1 ZINC000052930789 1024754400 /nfs/dbraw/zinc/75/44/00/1024754400.db2.gz GUPZXKLWRSIVRY-UHFFFAOYSA-N 1 2 341.455 3.662 20 0 EHADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425320139 1024757438 /nfs/dbraw/zinc/75/74/38/1024757438.db2.gz WYYZSZZKHGQONG-FUHIMQAGSA-N 1 2 325.456 3.873 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCc4sc(Cl)cc43)ccn12 ZINC000514796399 1024764438 /nfs/dbraw/zinc/76/44/38/1024764438.db2.gz IDXQVGOYJLTVEH-GFCCVEGCSA-N 1 2 331.828 3.775 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)[nH]1 ZINC000330320563 1024778418 /nfs/dbraw/zinc/77/84/18/1024778418.db2.gz RRJVVYGDRWHIMO-UHFFFAOYSA-N 1 2 341.434 3.928 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)cn1 ZINC000281232134 1024794586 /nfs/dbraw/zinc/79/45/86/1024794586.db2.gz UTFBWULAZAEZLP-YGRLFVJLSA-N 1 2 344.308 3.504 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC23CCCC3)C[C@@H](C)O1 ZINC000474350105 1024795799 /nfs/dbraw/zinc/79/57/99/1024795799.db2.gz AWJKELMOAJFDKP-NUJGCVRESA-N 1 2 342.483 3.815 20 0 EHADLO O=C(/C=C\C=C(Cl)Cl)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000895763646 1024808448 /nfs/dbraw/zinc/80/84/48/1024808448.db2.gz JMNMULZBTROKKI-XQRVVYSFSA-N 1 2 340.254 3.563 20 0 EHADLO COc1cc(CCC(=O)Nc2cccc3[nH+]ccn32)ccc1Cl ZINC000435352845 1024832698 /nfs/dbraw/zinc/83/26/98/1024832698.db2.gz BZRSLGQLZZPKDX-UHFFFAOYSA-N 1 2 329.787 3.568 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427868693 1024851838 /nfs/dbraw/zinc/85/18/38/1024851838.db2.gz WXXQVDALTBMPOB-GOEBONIOSA-N 1 2 343.389 3.715 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425357119 1024854915 /nfs/dbraw/zinc/85/49/15/1024854915.db2.gz XQMCKWTYEAFFMK-CQSZACIVSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425357119 1024854937 /nfs/dbraw/zinc/85/49/37/1024854937.db2.gz XQMCKWTYEAFFMK-CQSZACIVSA-N 1 2 344.768 3.787 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000895827392 1024864229 /nfs/dbraw/zinc/86/42/29/1024864229.db2.gz BLWZPWKRKXOXNG-UHFFFAOYSA-N 1 2 335.391 3.931 20 0 EHADLO C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346570276 1024874936 /nfs/dbraw/zinc/87/49/36/1024874936.db2.gz JDXWYAMRQCMCIR-OAHLLOKOSA-N 1 2 347.422 3.575 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1O ZINC000602909470 1033242518 /nfs/dbraw/zinc/24/25/18/1033242518.db2.gz AMWIBMXRBNBTKS-UHFFFAOYSA-N 1 2 343.757 3.945 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnc(C(C)(C)C)nc1)c1cccc(Cl)c1 ZINC000346548652 1024886554 /nfs/dbraw/zinc/88/65/54/1024886554.db2.gz QBYNDIHHQGFAIH-OAHLLOKOSA-N 1 2 346.862 3.669 20 0 EHADLO OCC[C@@H]([NH2+][C@H](c1ccc(F)cc1)c1cccnc1)c1ccco1 ZINC000346553439 1024891779 /nfs/dbraw/zinc/89/17/79/1024891779.db2.gz AGKAIRLQRKCUTO-IEBWSBKVSA-N 1 2 326.371 3.616 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C(C)C)C3)cn2c1 ZINC000474398312 1024896130 /nfs/dbraw/zinc/89/61/30/1024896130.db2.gz USDZDWVDKZSQIZ-MRXNPFEDSA-N 1 2 345.512 3.771 20 0 EHADLO CC(C)c1nccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000346618645 1024929687 /nfs/dbraw/zinc/92/96/87/1024929687.db2.gz IXPNNQJWGJSXKL-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894307569 1024932274 /nfs/dbraw/zinc/93/22/74/1024932274.db2.gz DMHVWPQHVFYHRE-INIZCTEOSA-N 1 2 344.459 3.583 20 0 EHADLO CCCc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000472121729 1024942109 /nfs/dbraw/zinc/94/21/09/1024942109.db2.gz HAEBVSBWDYJKCH-UHFFFAOYSA-N 1 2 345.874 3.798 20 0 EHADLO CSCc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760074527 1024964280 /nfs/dbraw/zinc/96/42/80/1024964280.db2.gz ZKPIEGJOOHPGSN-MRXNPFEDSA-N 1 2 346.500 3.983 20 0 EHADLO OCc1cc[nH+]c(N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c1 ZINC000895905439 1024964570 /nfs/dbraw/zinc/96/45/70/1024964570.db2.gz HWRITFDMKJOMRX-HNNXBMFYSA-N 1 2 331.847 3.556 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)C[C@@H]2CCCCO2)cs1 ZINC000157629159 1024971159 /nfs/dbraw/zinc/97/11/59/1024971159.db2.gz WSZVCTSOONABKQ-HNNXBMFYSA-N 1 2 332.469 3.820 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)C[C@@H]2CCCCO2)cs1 ZINC000157629159 1024971171 /nfs/dbraw/zinc/97/11/71/1024971171.db2.gz WSZVCTSOONABKQ-HNNXBMFYSA-N 1 2 332.469 3.820 20 0 EHADLO Cn1cc(-c2ccc(C[NH2+]Cc3nc(C(C)(C)C)co3)s2)cn1 ZINC000897944015 1033253883 /nfs/dbraw/zinc/25/38/83/1033253883.db2.gz DYDWFPUYKGNFDF-UHFFFAOYSA-N 1 2 330.457 3.724 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000059387671 1025010710 /nfs/dbraw/zinc/01/07/10/1025010710.db2.gz WARIJHCLFNXRFN-INIZCTEOSA-N 1 2 328.431 3.867 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000059387671 1025010720 /nfs/dbraw/zinc/01/07/20/1025010720.db2.gz WARIJHCLFNXRFN-INIZCTEOSA-N 1 2 328.431 3.867 20 0 EHADLO C[C@@H](N1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1)C(F)(F)F ZINC001167525755 1025011501 /nfs/dbraw/zinc/01/15/01/1025011501.db2.gz IZJWBBRZVXFDBH-CQSZACIVSA-N 1 2 344.421 3.932 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)CCn2cc[nH+]c2)C(C)C)cc1 ZINC000346733418 1025037530 /nfs/dbraw/zinc/03/75/30/1025037530.db2.gz QDTHXFSHVFCGCF-HXUWFJFHSA-N 1 2 327.472 3.985 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)ncn1 ZINC000428219055 1025053135 /nfs/dbraw/zinc/05/31/35/1025053135.db2.gz LMPZHSTZFALNJP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)ncn1 ZINC000428219055 1025053149 /nfs/dbraw/zinc/05/31/49/1025053149.db2.gz LMPZHSTZFALNJP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435665229 1025056102 /nfs/dbraw/zinc/05/61/02/1025056102.db2.gz UOZSQEUTFRNQRZ-SNRMKQJTSA-N 1 2 345.389 3.585 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nc(C(F)F)no1 ZINC000425402743 1025076696 /nfs/dbraw/zinc/07/66/96/1025076696.db2.gz GXAWSBVOLOZKGN-UHFFFAOYSA-N 1 2 331.750 3.562 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nc(C(F)F)no1 ZINC000425402743 1025076710 /nfs/dbraw/zinc/07/67/10/1025076710.db2.gz GXAWSBVOLOZKGN-UHFFFAOYSA-N 1 2 331.750 3.562 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022371 1025095595 /nfs/dbraw/zinc/09/55/95/1025095595.db2.gz LMOPRXZDUMJIAP-QGZVFWFLSA-N 1 2 348.450 3.834 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCCC[C@H]1c1nc3ccccc3o1)CCC2 ZINC000892162448 1025123616 /nfs/dbraw/zinc/12/36/16/1025123616.db2.gz ZTFOCBBHRZTMOK-KRWDZBQOSA-N 1 2 336.439 3.777 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCCC[C@H]1c1nc3ccccc3o1)CCC2 ZINC000892162448 1025123619 /nfs/dbraw/zinc/12/36/19/1025123619.db2.gz ZTFOCBBHRZTMOK-KRWDZBQOSA-N 1 2 336.439 3.777 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@@H](Cc2ccccc2)C(F)(F)F)[nH+]1 ZINC000515261925 1025127032 /nfs/dbraw/zinc/12/70/32/1025127032.db2.gz LTWBPAFLQNTYRJ-CYBMUJFWSA-N 1 2 334.345 3.521 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)c(=O)[nH]1 ZINC000346805890 1025127250 /nfs/dbraw/zinc/12/72/50/1025127250.db2.gz ZXBGMUKUHXHHFX-LJQANCHMSA-N 1 2 346.390 3.511 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1CCC[C@H](F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582059500 1025135383 /nfs/dbraw/zinc/13/53/83/1025135383.db2.gz PMQDKLLZMTWINU-CWRNSKLLSA-N 1 2 330.407 3.513 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661169 1025140074 /nfs/dbraw/zinc/14/00/74/1025140074.db2.gz DOQVVCAMICXFTK-LPHOPBHVSA-N 1 2 340.471 3.545 20 0 EHADLO COc1ncccc1-c1noc([C@@H]2CCC[C@@H](c3ccccc3)[NH2+]2)n1 ZINC001211886289 1025163202 /nfs/dbraw/zinc/16/32/02/1025163202.db2.gz YUWFDMCZKCSIEW-HOTGVXAUSA-N 1 2 336.395 3.696 20 0 EHADLO COc1ccncc1-c1noc([C@H]2CCC[C@H](c3ccccc3)[NH2+]2)n1 ZINC001211886236 1025170032 /nfs/dbraw/zinc/17/00/32/1025170032.db2.gz XWBRMTKPTWDEJX-HZPDHXFCSA-N 1 2 336.395 3.696 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC[C@@H]1C1CCCC1 ZINC000896150191 1025186401 /nfs/dbraw/zinc/18/64/01/1025186401.db2.gz ABVQRFFDXMYMBM-KZNAEPCWSA-N 1 2 342.487 3.779 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522735722 1025187735 /nfs/dbraw/zinc/18/77/35/1025187735.db2.gz YGTCNZVXHYIBKF-VQTJNVASSA-N 1 2 331.419 3.938 20 0 EHADLO Clc1nccc(CN2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC000896196380 1025227750 /nfs/dbraw/zinc/22/77/50/1025227750.db2.gz ZCNIDSQTSNMSKG-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH2+]C(C)(C)COCc2ccccc2)n1 ZINC000281579922 1025239252 /nfs/dbraw/zinc/23/92/52/1025239252.db2.gz ZTXPWNCVTLCMFA-AWEZNQCLSA-N 1 2 349.500 3.969 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000442295972 1025243437 /nfs/dbraw/zinc/24/34/37/1025243437.db2.gz RUFZASTVFFKEDP-MRXNPFEDSA-N 1 2 335.407 3.802 20 0 EHADLO Cc1cc(N2CCn3nc(C(C)(C)C)cc3C2)nc(C2CCC2)[nH+]1 ZINC000896224655 1025247075 /nfs/dbraw/zinc/24/70/75/1025247075.db2.gz MBQYLAGDVVNEQX-UHFFFAOYSA-N 1 2 325.460 3.567 20 0 EHADLO COC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc(C)c1C ZINC000342410251 1025254781 /nfs/dbraw/zinc/25/47/81/1025254781.db2.gz CHADPOUZGFHNPJ-UHFFFAOYSA-N 1 2 349.390 3.528 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ccc(C(F)F)nc1)c1cccc(Cl)c1 ZINC000622923374 1025256020 /nfs/dbraw/zinc/25/60/20/1025256020.db2.gz NEZGCGGVFCIVSN-AWEZNQCLSA-N 1 2 339.773 3.914 20 0 EHADLO C[N@H+](Cc1ccncn1)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143436620 1025319997 /nfs/dbraw/zinc/31/99/97/1025319997.db2.gz PYWXKPPTXDFHRP-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[N@@H+](Cc1ccncn1)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143436620 1025320008 /nfs/dbraw/zinc/32/00/08/1025320008.db2.gz PYWXKPPTXDFHRP-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)[C@H](C)C1 ZINC000281647305 1025327047 /nfs/dbraw/zinc/32/70/47/1025327047.db2.gz JOULQJSQTDMNSQ-PBHICJAKSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)[C@H](C)C1 ZINC000281647305 1025327061 /nfs/dbraw/zinc/32/70/61/1025327061.db2.gz JOULQJSQTDMNSQ-PBHICJAKSA-N 1 2 332.469 3.721 20 0 EHADLO COc1ccc(C)cc1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000546404115 1025343136 /nfs/dbraw/zinc/34/31/36/1025343136.db2.gz LVKZNUZKLPPMKO-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451284 1025343799 /nfs/dbraw/zinc/34/37/99/1025343799.db2.gz XRQGSJXLAGXWSA-YOEHRIQHSA-N 1 2 338.879 3.806 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451284 1025343810 /nfs/dbraw/zinc/34/38/10/1025343810.db2.gz XRQGSJXLAGXWSA-YOEHRIQHSA-N 1 2 338.879 3.806 20 0 EHADLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000521348374 1025344323 /nfs/dbraw/zinc/34/43/23/1025344323.db2.gz KOTLBRWSHSKBAH-UHFFFAOYSA-N 1 2 347.503 3.898 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425460556 1025364657 /nfs/dbraw/zinc/36/46/57/1025364657.db2.gz QWGGBUFOIWCJGP-PELKAZGASA-N 1 2 331.750 3.526 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000521516142 1025437066 /nfs/dbraw/zinc/43/70/66/1025437066.db2.gz BMTIEQUZWDMWMS-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(C)C)nc2C)s1 ZINC000425485783 1025442757 /nfs/dbraw/zinc/44/27/57/1025442757.db2.gz KFINABPKDMHIKH-LBPRGKRZSA-N 1 2 333.457 3.607 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c[nH+]1 ZINC000896487455 1025474645 /nfs/dbraw/zinc/47/46/45/1025474645.db2.gz HSDMYDPEBCPIKW-IRXDYDNUSA-N 1 2 325.456 3.640 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccnc1Cl ZINC000281768175 1025476978 /nfs/dbraw/zinc/47/69/78/1025476978.db2.gz WSLSTPXSBSCTIC-SNVBAGLBSA-N 1 2 345.752 3.922 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500074 1025477209 /nfs/dbraw/zinc/47/72/09/1025477209.db2.gz XEYCVDPDLCVJNS-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500074 1025477217 /nfs/dbraw/zinc/47/72/17/1025477217.db2.gz XEYCVDPDLCVJNS-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)nc1 ZINC000451044118 1025492677 /nfs/dbraw/zinc/49/26/77/1025492677.db2.gz YKKJYZFBZRQKLF-MRXNPFEDSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)nc1 ZINC000451044118 1025492688 /nfs/dbraw/zinc/49/26/88/1025492688.db2.gz YKKJYZFBZRQKLF-MRXNPFEDSA-N 1 2 330.453 3.903 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000521635695 1025536810 /nfs/dbraw/zinc/53/68/10/1025536810.db2.gz AWBIAICXIWLNNA-HNNXBMFYSA-N 1 2 337.423 3.615 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000521635695 1025536825 /nfs/dbraw/zinc/53/68/25/1025536825.db2.gz AWBIAICXIWLNNA-HNNXBMFYSA-N 1 2 337.423 3.615 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnc2n1CCC2 ZINC000436270746 1025539619 /nfs/dbraw/zinc/53/96/19/1025539619.db2.gz PRDYYZZWHOTOMM-VIFPVBQESA-N 1 2 344.768 3.747 20 0 EHADLO Clc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)s1 ZINC000347127477 1025547044 /nfs/dbraw/zinc/54/70/44/1025547044.db2.gz SQFZXPPYTCRSTP-UHFFFAOYSA-N 1 2 329.772 3.699 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ncc(Br)cn2)ccc1F ZINC000347140201 1025564192 /nfs/dbraw/zinc/56/41/92/1025564192.db2.gz ZQCPULRESGRQFZ-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ncc(Br)cn2)ccc1F ZINC000347140201 1025564196 /nfs/dbraw/zinc/56/41/96/1025564196.db2.gz ZQCPULRESGRQFZ-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884918 1025565729 /nfs/dbraw/zinc/56/57/29/1025565729.db2.gz ZTYZAHDCVMWCPY-YWZLYKJASA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884918 1025565741 /nfs/dbraw/zinc/56/57/41/1025565741.db2.gz ZTYZAHDCVMWCPY-YWZLYKJASA-N 1 2 326.440 3.668 20 0 EHADLO O=C(CC1=CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281835213 1025581793 /nfs/dbraw/zinc/58/17/93/1025581793.db2.gz AGBVCCLOWOXOMB-QGZVFWFLSA-N 1 2 327.472 3.816 20 0 EHADLO CCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281854756 1025591171 /nfs/dbraw/zinc/59/11/71/1025591171.db2.gz BLIFENUBGPYVKV-GOSISDBHSA-N 1 2 337.467 3.802 20 0 EHADLO Cc1nc(CC2CC[NH+](Cc3ccnc(Cl)c3Cl)CC2)no1 ZINC000896550997 1025593922 /nfs/dbraw/zinc/59/39/22/1025593922.db2.gz HZMXMBMSRBITFQ-UHFFFAOYSA-N 1 2 341.242 3.535 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000474843218 1025612765 /nfs/dbraw/zinc/61/27/65/1025612765.db2.gz BTDAKALBYYKMAH-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1F ZINC000210081148 1025668215 /nfs/dbraw/zinc/66/82/15/1025668215.db2.gz AUJBHHNYFAIYLM-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO CC[C@H](C[N@H+](C)Cc1nc(C)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000530335626 1025673964 /nfs/dbraw/zinc/67/39/64/1025673964.db2.gz VBOXPTXGUUCLII-LLVKDONJSA-N 1 2 344.242 3.974 20 0 EHADLO CC[C@H](C[N@@H+](C)Cc1nc(C)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000530335626 1025673971 /nfs/dbraw/zinc/67/39/71/1025673971.db2.gz VBOXPTXGUUCLII-LLVKDONJSA-N 1 2 344.242 3.974 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1(CC)CC ZINC000582255531 1025682467 /nfs/dbraw/zinc/68/24/67/1025682467.db2.gz AHMCRUXZAHOOTL-KURKYZTESA-N 1 2 346.450 3.607 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000443085223 1025694761 /nfs/dbraw/zinc/69/47/61/1025694761.db2.gz ALZDFHQZMALLBK-GDBMZVCRSA-N 1 2 344.434 3.779 20 0 EHADLO CC(C)Cc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000892238035 1025707827 /nfs/dbraw/zinc/70/78/27/1025707827.db2.gz VXLZYYZPGVYEKD-UHFFFAOYSA-N 1 2 340.393 3.664 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000892238035 1025707839 /nfs/dbraw/zinc/70/78/39/1025707839.db2.gz VXLZYYZPGVYEKD-UHFFFAOYSA-N 1 2 340.393 3.664 20 0 EHADLO Clc1ccccc1CC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000058906525 1025715827 /nfs/dbraw/zinc/71/58/27/1025715827.db2.gz XNYOFMYVLBALLP-UHFFFAOYSA-N 1 2 344.886 3.579 20 0 EHADLO Cc1cc(NCc2cccnn2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000436426716 1025719086 /nfs/dbraw/zinc/71/90/86/1025719086.db2.gz DRHUZONNTUZWMH-UHFFFAOYSA-N 1 2 334.301 3.844 20 0 EHADLO CCO[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000436494824 1025777210 /nfs/dbraw/zinc/77/72/10/1025777210.db2.gz OEPHIEQDXNKVSF-QGZVFWFLSA-N 1 2 327.428 3.906 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000443169878 1025780902 /nfs/dbraw/zinc/78/09/02/1025780902.db2.gz JYMWVJWBZYROAD-WBVHZDCISA-N 1 2 326.444 3.640 20 0 EHADLO COCCC[C@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425568811 1025793342 /nfs/dbraw/zinc/79/33/42/1025793342.db2.gz JSBWGBQASXLAAS-HNNXBMFYSA-N 1 2 341.455 3.888 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCc4cc(F)ccc43)c[nH+]2)C[C@@H](C)O1 ZINC000530425000 1025798131 /nfs/dbraw/zinc/79/81/31/1025798131.db2.gz UENXOEBVGXBXMQ-PJIJBLCYSA-N 1 2 341.430 3.934 20 0 EHADLO Cc1cc(N[C@H](CO)c2ccccc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000896651641 1025805278 /nfs/dbraw/zinc/80/52/78/1025805278.db2.gz NYSSLLLGGZAAFT-CQSZACIVSA-N 1 2 337.345 3.827 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc3cc(F)cc(Cl)c3n1)C2 ZINC000896654714 1025816184 /nfs/dbraw/zinc/81/61/84/1025816184.db2.gz RDGOVNQJCOUZPQ-UHFFFAOYSA-N 1 2 330.794 3.806 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncn1 ZINC000521970406 1025840762 /nfs/dbraw/zinc/84/07/62/1025840762.db2.gz HPAWJDKHABVAJU-CQSZACIVSA-N 1 2 346.425 3.955 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncn1 ZINC000521970406 1025840781 /nfs/dbraw/zinc/84/07/81/1025840781.db2.gz HPAWJDKHABVAJU-CQSZACIVSA-N 1 2 346.425 3.955 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000521981927 1025852490 /nfs/dbraw/zinc/85/24/90/1025852490.db2.gz ZALOEYFMUKASFL-GOSISDBHSA-N 1 2 343.496 3.727 20 0 EHADLO Cc1[nH]c(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[nH+]c1C ZINC000896905923 1025872420 /nfs/dbraw/zinc/87/24/20/1025872420.db2.gz OSJFNIIBEGTDGW-UHFFFAOYSA-N 1 2 331.847 3.808 20 0 EHADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000530471643 1025880176 /nfs/dbraw/zinc/88/01/76/1025880176.db2.gz WMDBMMSTMLVBDK-GTNSWQLSSA-N 1 2 328.799 3.963 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1nc(C2CCC2)cs1 ZINC000669547365 1025922462 /nfs/dbraw/zinc/92/24/62/1025922462.db2.gz BQTYEIOHQLGOFP-UHFFFAOYSA-N 1 2 342.468 3.548 20 0 EHADLO Cc1cc(Br)cn2c(CNc3ccc(F)cn3)c[nH+]c12 ZINC000342504566 1025934761 /nfs/dbraw/zinc/93/47/61/1025934761.db2.gz VZFZYQJYQGWGIP-UHFFFAOYSA-N 1 2 335.180 3.551 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)[nH+]c1C ZINC000896910102 1025935944 /nfs/dbraw/zinc/93/59/44/1025935944.db2.gz LQEUIINMCOBIDH-JSGCOSHPSA-N 1 2 335.810 3.629 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)Nc1ccccn1 ZINC000639529896 1025936168 /nfs/dbraw/zinc/93/61/68/1025936168.db2.gz NBXDTPBEHKECMC-SFHVURJKSA-N 1 2 334.423 3.729 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)Nc1ccccn1 ZINC000639529896 1025936184 /nfs/dbraw/zinc/93/61/84/1025936184.db2.gz NBXDTPBEHKECMC-SFHVURJKSA-N 1 2 334.423 3.729 20 0 EHADLO Clc1cccc([C@@H]([NH2+]Cc2cnn3c2CCC3)c2ccccn2)c1 ZINC000657400538 1025964389 /nfs/dbraw/zinc/96/43/89/1025964389.db2.gz ZPMQJILGLGTAII-LJQANCHMSA-N 1 2 338.842 3.757 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)[nH+]c1C ZINC000896913683 1025969360 /nfs/dbraw/zinc/96/93/60/1025969360.db2.gz VJUMZFNFYRZOKZ-RHSMWYFYSA-N 1 2 335.492 3.798 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c(C)n1Cc1ccco1 ZINC000444257741 1025985509 /nfs/dbraw/zinc/98/55/09/1025985509.db2.gz FFZMBPUXUYENGS-GDBMZVCRSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c(C)n1Cc1ccco1 ZINC000444257741 1025985521 /nfs/dbraw/zinc/98/55/21/1025985521.db2.gz FFZMBPUXUYENGS-GDBMZVCRSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000436641345 1025988618 /nfs/dbraw/zinc/98/86/18/1025988618.db2.gz ATWRAZFTXXVMJT-UHFFFAOYSA-N 1 2 349.434 3.940 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473661 1026017321 /nfs/dbraw/zinc/01/73/21/1026017321.db2.gz WTZFGPHMTSTUOI-RYRKJORJSA-N 1 2 329.488 3.752 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473466 1026017611 /nfs/dbraw/zinc/01/76/11/1026017611.db2.gz WFOSIQUZNQSRLQ-IRXDYDNUSA-N 1 2 331.504 3.998 20 0 EHADLO CC(C)c1nc([C@H]2CCCC[N@@H+]2CCN(C)c2ccccc2)no1 ZINC001167568567 1026036261 /nfs/dbraw/zinc/03/62/61/1026036261.db2.gz VRURKLDBFOWKFE-QGZVFWFLSA-N 1 2 328.460 3.856 20 0 EHADLO CC(C)c1nc([C@H]2CCCC[N@H+]2CCN(C)c2ccccc2)no1 ZINC001167568567 1026036279 /nfs/dbraw/zinc/03/62/79/1026036279.db2.gz VRURKLDBFOWKFE-QGZVFWFLSA-N 1 2 328.460 3.856 20 0 EHADLO CC(C)(C)OCCCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820349 1026081662 /nfs/dbraw/zinc/08/16/62/1026081662.db2.gz DHJCKHFGOATWTP-UHFFFAOYSA-N 1 2 340.427 3.594 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2nccc(Oc3ccccc3)n2)[nH+]c1C ZINC000895191627 1026085019 /nfs/dbraw/zinc/08/50/19/1026085019.db2.gz BSZHAXBQPXDBNW-INIZCTEOSA-N 1 2 335.411 3.950 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cnc3cc(Cl)ccc3n2)[nH+]c1C ZINC000895195993 1026095674 /nfs/dbraw/zinc/09/56/74/1026095674.db2.gz HEPYRKGJZNEDRB-HNNXBMFYSA-N 1 2 327.819 3.965 20 0 EHADLO ClC1(Cl)C[C@@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896824666 1026097333 /nfs/dbraw/zinc/09/73/33/1026097333.db2.gz BTVWZVUIVSMPDQ-GFCCVEGCSA-N 1 2 335.194 3.507 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516192595 1026102381 /nfs/dbraw/zinc/10/23/81/1026102381.db2.gz FURXIVSANZQBER-WMLDXEAASA-N 1 2 329.444 3.501 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516192595 1026102392 /nfs/dbraw/zinc/10/23/92/1026102392.db2.gz FURXIVSANZQBER-WMLDXEAASA-N 1 2 329.444 3.501 20 0 EHADLO FC1(F)CC[C@H](Cc2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821956 1026107940 /nfs/dbraw/zinc/10/79/40/1026107940.db2.gz XUILJUNCTZWEFH-CQSZACIVSA-N 1 2 344.365 3.824 20 0 EHADLO CSc1ccccc1N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342526308 1026112883 /nfs/dbraw/zinc/11/28/83/1026112883.db2.gz YAZLTZKDRCMWEJ-UHFFFAOYSA-N 1 2 337.448 3.930 20 0 EHADLO Cc1c[nH]c(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)n1 ZINC000896939011 1026126804 /nfs/dbraw/zinc/12/68/04/1026126804.db2.gz YNLZBQKVGQWASX-CQSZACIVSA-N 1 2 343.818 3.759 20 0 EHADLO Cc1c[nH]c(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)n1 ZINC000896939011 1026126811 /nfs/dbraw/zinc/12/68/11/1026126811.db2.gz YNLZBQKVGQWASX-CQSZACIVSA-N 1 2 343.818 3.759 20 0 EHADLO CN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000451604398 1026138287 /nfs/dbraw/zinc/13/82/87/1026138287.db2.gz AJZDKDGNQSDGNZ-UHFFFAOYSA-N 1 2 346.862 4.000 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cccc(F)c2OC(F)F)C1 ZINC000657419472 1026156208 /nfs/dbraw/zinc/15/62/08/1026156208.db2.gz SJOZYFRXFXVZEG-INIZCTEOSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cccc(F)c2OC(F)F)C1 ZINC000657419472 1026156216 /nfs/dbraw/zinc/15/62/16/1026156216.db2.gz SJOZYFRXFXVZEG-INIZCTEOSA-N 1 2 336.357 3.703 20 0 EHADLO Fc1cccc([C@@H]([NH2+]Cc2ccnn2CC2CC2)c2ccccn2)c1 ZINC000657422380 1026186927 /nfs/dbraw/zinc/18/69/27/1026186927.db2.gz OPUXBNSLXGEKHN-HXUWFJFHSA-N 1 2 336.414 3.706 20 0 EHADLO COc1cc2c(cc1C[NH2+]C(C)(C)c1ncc(C)s1)O[C@@H](C)C2 ZINC000530714300 1026221778 /nfs/dbraw/zinc/22/17/78/1026221778.db2.gz UFBGBPGBANSEDM-NSHDSACASA-N 1 2 332.469 3.808 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475138565 1026229210 /nfs/dbraw/zinc/22/92/10/1026229210.db2.gz LPEYRMCGCUSLNX-HOTGVXAUSA-N 1 2 328.460 3.738 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000511122317 1026233575 /nfs/dbraw/zinc/23/35/75/1026233575.db2.gz PTPGBZUUBFWMNT-GOSISDBHSA-N 1 2 345.439 3.902 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000511122317 1026233586 /nfs/dbraw/zinc/23/35/86/1026233586.db2.gz PTPGBZUUBFWMNT-GOSISDBHSA-N 1 2 345.439 3.902 20 0 EHADLO C[C@]1(F)CCN(c2cc(N3CC[C@](C)(F)C3)c3ccncc3[nH+]2)C1 ZINC000342562711 1026291958 /nfs/dbraw/zinc/29/19/58/1026291958.db2.gz XCNKIMJQEKSQHG-ROUUACIJSA-N 1 2 332.398 3.506 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843508 1026339097 /nfs/dbraw/zinc/33/90/97/1026339097.db2.gz GHNZEYZEAHJAQU-KUHUBIRLSA-N 1 2 328.456 3.596 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843508 1026339104 /nfs/dbraw/zinc/33/91/04/1026339104.db2.gz GHNZEYZEAHJAQU-KUHUBIRLSA-N 1 2 328.456 3.596 20 0 EHADLO CCOCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000158805928 1026349283 /nfs/dbraw/zinc/34/92/83/1026349283.db2.gz IFZVHSVIZCLSQP-UHFFFAOYSA-N 1 2 331.391 3.547 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3ncnn3-c3ccccc3)c2c1 ZINC000684886479 1026361052 /nfs/dbraw/zinc/36/10/52/1026361052.db2.gz BGVIWFHOKZGGSK-UHFFFAOYSA-N 1 2 346.390 3.712 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1ccnn1C ZINC000192798890 1026367224 /nfs/dbraw/zinc/36/72/24/1026367224.db2.gz FLFIYIKDODEEIA-MGPUTAFESA-N 1 2 345.450 3.747 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC)c1OC ZINC000158903737 1026382182 /nfs/dbraw/zinc/38/21/82/1026382182.db2.gz YVJSMBCAFZEQMH-UHFFFAOYSA-N 1 2 341.411 3.694 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000475294410 1026438209 /nfs/dbraw/zinc/43/82/09/1026438209.db2.gz ZKOVCGCFGUFNOB-BONVTDFDSA-N 1 2 331.790 3.941 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000475294410 1026438215 /nfs/dbraw/zinc/43/82/15/1026438215.db2.gz ZKOVCGCFGUFNOB-BONVTDFDSA-N 1 2 331.790 3.941 20 0 EHADLO Cc1cc(N2CCN(c3cccc(F)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000582507478 1026444199 /nfs/dbraw/zinc/44/41/99/1026444199.db2.gz SNSFOPJEAPVZHT-UHFFFAOYSA-N 1 2 332.398 3.513 20 0 EHADLO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000452078518 1026459090 /nfs/dbraw/zinc/45/90/90/1026459090.db2.gz GVDWJFYRLYTDMT-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000452078518 1026459099 /nfs/dbraw/zinc/45/90/99/1026459099.db2.gz GVDWJFYRLYTDMT-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@](=O)C1 ZINC000277662657 1026472953 /nfs/dbraw/zinc/47/29/53/1026472953.db2.gz ZXZIAKSAGCZVLJ-DMZKTXOQSA-N 1 2 337.872 3.800 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@](=O)C1 ZINC000277662657 1026472958 /nfs/dbraw/zinc/47/29/58/1026472958.db2.gz ZXZIAKSAGCZVLJ-DMZKTXOQSA-N 1 2 337.872 3.800 20 0 EHADLO CCCN(CC1CC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159161185 1026504672 /nfs/dbraw/zinc/50/46/72/1026504672.db2.gz LQPDDMJLCOUCBQ-UHFFFAOYSA-N 1 2 342.443 3.616 20 0 EHADLO COc1cccc2c(NCc3cc(C(F)(F)F)n(C)n3)cc[nH+]c12 ZINC000897238145 1026548058 /nfs/dbraw/zinc/54/80/58/1026548058.db2.gz LOJJDONQFICWCT-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452208092 1026574194 /nfs/dbraw/zinc/57/41/94/1026574194.db2.gz OYYASQSGCKPZCS-MELADBBJSA-N 1 2 329.831 3.578 20 0 EHADLO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000347316417 1026578389 /nfs/dbraw/zinc/57/83/89/1026578389.db2.gz FIGVGSWSQRGDNF-LLVKDONJSA-N 1 2 349.312 3.759 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2cccs2)C2CC2)c1C ZINC000051755116 1026584317 /nfs/dbraw/zinc/58/43/17/1026584317.db2.gz LTTXNUNVAUFADW-UHFFFAOYSA-N 1 2 345.468 3.643 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342674034 1026672953 /nfs/dbraw/zinc/67/29/53/1026672953.db2.gz PIMQRMMPLJHGBD-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342674034 1026672963 /nfs/dbraw/zinc/67/29/63/1026672963.db2.gz PIMQRMMPLJHGBD-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO CCOc1ccccc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301066216 1026673152 /nfs/dbraw/zinc/67/31/52/1026673152.db2.gz QBELMZSGKWJXOW-UHFFFAOYSA-N 1 2 340.471 3.634 20 0 EHADLO CSC[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277718566 1026676100 /nfs/dbraw/zinc/67/61/00/1026676100.db2.gz ODUQQIVYTXDTEA-ZDUSSCGKSA-N 1 2 329.469 3.824 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1Cl ZINC000531204213 1026684382 /nfs/dbraw/zinc/68/43/82/1026684382.db2.gz GHKIVRGIQQRILW-MLGOLLRUSA-N 1 2 332.806 3.935 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H](C)O1 ZINC000119957169 1026686650 /nfs/dbraw/zinc/68/66/50/1026686650.db2.gz DWTHVLOITJYUGO-ZFWWWQNUSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H](C)O1 ZINC000119957169 1026686653 /nfs/dbraw/zinc/68/66/53/1026686653.db2.gz DWTHVLOITJYUGO-ZFWWWQNUSA-N 1 2 333.863 3.740 20 0 EHADLO COCc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000301103806 1026687670 /nfs/dbraw/zinc/68/76/70/1026687670.db2.gz RJWYAVPTTOOXKI-UHFFFAOYSA-N 1 2 345.406 3.574 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)s1 ZINC000301102889 1026688485 /nfs/dbraw/zinc/68/84/85/1026688485.db2.gz OTKWWOUSJVQXTJ-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC1(C)C ZINC000611643670 1026727418 /nfs/dbraw/zinc/72/74/18/1026727418.db2.gz NRPPQKBUAIPTKG-QGZVFWFLSA-N 1 2 329.488 3.583 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCO2 ZINC000301294780 1026753301 /nfs/dbraw/zinc/75/33/01/1026753301.db2.gz RQDFNEVZYWTHTP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCO2 ZINC000301294780 1026753312 /nfs/dbraw/zinc/75/33/12/1026753312.db2.gz RQDFNEVZYWTHTP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000531304611 1026786719 /nfs/dbraw/zinc/78/67/19/1026786719.db2.gz GGRQEUJDEMTYFO-KRWDZBQOSA-N 1 2 332.831 3.849 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000342712400 1026806362 /nfs/dbraw/zinc/80/63/62/1026806362.db2.gz RNCZUAFVAGISFZ-UHFFFAOYSA-N 1 2 348.899 3.792 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000342713019 1026809579 /nfs/dbraw/zinc/80/95/79/1026809579.db2.gz BJOPMTVTUAPKKP-DAXSKMNVSA-N 1 2 339.508 3.852 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531324190 1026811823 /nfs/dbraw/zinc/81/18/23/1026811823.db2.gz PXPXLYQUOSLUSY-IRXDYDNUSA-N 1 2 333.435 3.853 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000301499695 1026829666 /nfs/dbraw/zinc/82/96/66/1026829666.db2.gz WIHOYVDLQGULOT-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)no1 ZINC000122902930 1026852339 /nfs/dbraw/zinc/85/23/39/1026852339.db2.gz VMPURONITYZSTK-UHFFFAOYSA-N 1 2 343.452 3.959 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)no1 ZINC000122902930 1026852347 /nfs/dbraw/zinc/85/23/47/1026852347.db2.gz VMPURONITYZSTK-UHFFFAOYSA-N 1 2 343.452 3.959 20 0 EHADLO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnnn2-c2ccccc2)o1 ZINC000158684062 1026866831 /nfs/dbraw/zinc/86/68/31/1026866831.db2.gz GAAMZVDZNZVZFT-QGZVFWFLSA-N 1 2 337.427 3.681 20 0 EHADLO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2nnnn2-c2ccccc2)o1 ZINC000158684062 1026866838 /nfs/dbraw/zinc/86/68/38/1026866838.db2.gz GAAMZVDZNZVZFT-QGZVFWFLSA-N 1 2 337.427 3.681 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001271562077 1026879583 /nfs/dbraw/zinc/87/95/83/1026879583.db2.gz MLWRJYXMZKKHJX-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001271562077 1026879591 /nfs/dbraw/zinc/87/95/91/1026879591.db2.gz MLWRJYXMZKKHJX-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122974515 1026879746 /nfs/dbraw/zinc/87/97/46/1026879746.db2.gz RPHVNZZDAJMBSI-NHYWBVRUSA-N 1 2 338.238 3.913 20 0 EHADLO CCOc1ccc(C[C@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC001125614593 1026913414 /nfs/dbraw/zinc/91/34/14/1026913414.db2.gz UHFXRRZJVFERHC-AWEZNQCLSA-N 1 2 337.423 3.859 20 0 EHADLO OCCCCN(c1cc[nH+]c2c(Br)cccc12)C1CC1 ZINC000301750749 1026926428 /nfs/dbraw/zinc/92/64/28/1026926428.db2.gz AUEWWNKKHOFMFS-UHFFFAOYSA-N 1 2 335.245 3.739 20 0 EHADLO CC(=O)Oc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000123003318 1026931794 /nfs/dbraw/zinc/93/17/94/1026931794.db2.gz SABBHDBRYIQRKZ-GOSISDBHSA-N 1 2 338.432 3.948 20 0 EHADLO Nc1nc(NCc2ccc(OCC(F)(F)F)cc2)[nH+]c2ccccc12 ZINC000301777898 1026935675 /nfs/dbraw/zinc/93/56/75/1026935675.db2.gz LWMVPYCZDDVBEP-UHFFFAOYSA-N 1 2 348.328 3.765 20 0 EHADLO CNC(=O)c1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000301819654 1026951098 /nfs/dbraw/zinc/95/10/98/1026951098.db2.gz LBGCUAHCRYPNQY-UHFFFAOYSA-N 1 2 326.444 3.695 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1cccc(F)c1)C1CC1 ZINC000301870991 1026972148 /nfs/dbraw/zinc/97/21/48/1026972148.db2.gz HGPZSCKZWPZCDI-UHFFFAOYSA-N 1 2 339.418 3.889 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCOc1ccc(F)cc1 ZINC000301878279 1026976275 /nfs/dbraw/zinc/97/62/75/1026976275.db2.gz JJWWNOVEWFFPCK-UHFFFAOYSA-N 1 2 343.406 3.601 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301898900 1026985684 /nfs/dbraw/zinc/98/56/84/1026985684.db2.gz XIRDPJNHHPFYRV-ZDUSSCGKSA-N 1 2 349.438 3.809 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301907095 1026988417 /nfs/dbraw/zinc/98/84/17/1026988417.db2.gz ZOUFGKJMLKVTAZ-LBPRGKRZSA-N 1 2 327.407 3.918 20 0 EHADLO CC(C)(CNc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccncc1 ZINC000301926434 1026996577 /nfs/dbraw/zinc/99/65/77/1026996577.db2.gz LPGNXXPQAJMGOU-UHFFFAOYSA-N 1 2 344.422 3.600 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCc1ncoc1C ZINC000301958021 1027008308 /nfs/dbraw/zinc/00/83/08/1027008308.db2.gz ATRPTMNOBYUVPA-UHFFFAOYSA-N 1 2 339.395 3.937 20 0 EHADLO CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000123194490 1027012058 /nfs/dbraw/zinc/01/20/58/1027012058.db2.gz NLOYEIXLXAMIFW-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000685001712 1027022233 /nfs/dbraw/zinc/02/22/33/1027022233.db2.gz QTBPMWDJCBVHQN-UHFFFAOYSA-N 1 2 336.414 3.786 20 0 EHADLO Cc1nc(N[C@H](C)C[C@H](O)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000302099659 1027052399 /nfs/dbraw/zinc/05/23/99/1027052399.db2.gz PIPKBCWYUFZELG-XIKOKIGWSA-N 1 2 329.419 3.727 20 0 EHADLO Cc1nc(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302096452 1027052512 /nfs/dbraw/zinc/05/25/12/1027052512.db2.gz OHLBSWQQXCBPGY-MSOLQXFVSA-N 1 2 345.393 3.884 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)c2c([nH+]1)CCCC2 ZINC000302100998 1027053914 /nfs/dbraw/zinc/05/39/14/1027053914.db2.gz PVBRTDLPJJLCNB-PXAZEXFGSA-N 1 2 329.469 3.692 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000074588815 1027054697 /nfs/dbraw/zinc/05/46/97/1027054697.db2.gz SFUZADJNGHRHKS-MRXNPFEDSA-N 1 2 349.409 3.950 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000302117651 1027058982 /nfs/dbraw/zinc/05/89/82/1027058982.db2.gz SESJREOUPRFRHJ-XLIONFOSSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000302117651 1027058984 /nfs/dbraw/zinc/05/89/84/1027058984.db2.gz SESJREOUPRFRHJ-XLIONFOSSA-N 1 2 340.471 3.637 20 0 EHADLO CC[C@H](SC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277825809 1027059985 /nfs/dbraw/zinc/05/99/85/1027059985.db2.gz YHMAQEPVUTWOIK-INIZCTEOSA-N 1 2 329.469 3.967 20 0 EHADLO CCSc1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000531580880 1027068322 /nfs/dbraw/zinc/06/83/22/1027068322.db2.gz UCMKURWOQMJCQG-HOCLYGCPSA-N 1 2 329.469 3.718 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123240378 1027072013 /nfs/dbraw/zinc/07/20/13/1027072013.db2.gz JQRRDSRGIVIWBD-LPHOPBHVSA-N 1 2 341.455 3.641 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000531586567 1027078569 /nfs/dbraw/zinc/07/85/69/1027078569.db2.gz DZUVBUBRLSJWMM-UHFFFAOYSA-N 1 2 336.823 3.537 20 0 EHADLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc(-c2cccs2)n1 ZINC000665698055 1027087354 /nfs/dbraw/zinc/08/73/54/1027087354.db2.gz FFLNPGZVYCLDPM-CQSZACIVSA-N 1 2 325.441 3.552 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnc(C)s1)C[C@H]1CCCO1 ZINC000125712923 1027114507 /nfs/dbraw/zinc/11/45/07/1027114507.db2.gz JJJJJSOVOVDPAC-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnc(C)s1)C[C@H]1CCCO1 ZINC000125712923 1027114515 /nfs/dbraw/zinc/11/45/15/1027114515.db2.gz JJJJJSOVOVDPAC-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000125864559 1027133131 /nfs/dbraw/zinc/13/31/31/1027133131.db2.gz YINHWUJYMWSBFQ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)CC2 ZINC000125864559 1027133141 /nfs/dbraw/zinc/13/31/41/1027133141.db2.gz YINHWUJYMWSBFQ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000452946929 1027140063 /nfs/dbraw/zinc/14/00/63/1027140063.db2.gz VMMJCXCOKUYCKH-LJQANCHMSA-N 1 2 338.451 3.637 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531970 1027146246 /nfs/dbraw/zinc/14/62/46/1027146246.db2.gz HUUFYYLHBHAOKX-WBVHZDCISA-N 1 2 343.496 3.933 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459267676 1027157509 /nfs/dbraw/zinc/15/75/09/1027157509.db2.gz DIJWKSYTEVQUKH-MJGOQNOKSA-N 1 2 332.492 3.520 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000126075154 1027160238 /nfs/dbraw/zinc/16/02/38/1027160238.db2.gz HMPSRHLRNRLJDU-GOSISDBHSA-N 1 2 331.419 3.577 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000075552400 1027168565 /nfs/dbraw/zinc/16/85/65/1027168565.db2.gz ICCSZWJVJPEUAR-HNNXBMFYSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553247 1027169044 /nfs/dbraw/zinc/16/90/44/1027169044.db2.gz XNFMBVMJGQFTQZ-MRVPVSSYSA-N 1 2 330.240 3.798 20 0 EHADLO Nc1nc(NC[C@H](c2ccccc2)C(F)(F)F)[nH+]c2ccccc12 ZINC000302519884 1027178513 /nfs/dbraw/zinc/17/85/13/1027178513.db2.gz YRTNZTAIMROWBB-CYBMUJFWSA-N 1 2 332.329 3.970 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)nc2cc(Cl)ccc21 ZINC000532651236 1027185800 /nfs/dbraw/zinc/18/58/00/1027185800.db2.gz GYRXLORSGQJIJM-QGZVFWFLSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccccn2)nc2cc(Cl)ccc21 ZINC000532651236 1027185810 /nfs/dbraw/zinc/18/58/10/1027185810.db2.gz GYRXLORSGQJIJM-QGZVFWFLSA-N 1 2 326.831 3.959 20 0 EHADLO COc1cccc2c(N3CCN(c4cccs4)CC3)cc[nH+]c12 ZINC000302557617 1027194511 /nfs/dbraw/zinc/19/45/11/1027194511.db2.gz SGQARBLKXGARRN-UHFFFAOYSA-N 1 2 325.437 3.632 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900510 1027206885 /nfs/dbraw/zinc/20/68/85/1027206885.db2.gz SYOAZHKVIYUCCJ-ZWNOBZJWSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900510 1027206903 /nfs/dbraw/zinc/20/69/03/1027206903.db2.gz SYOAZHKVIYUCCJ-ZWNOBZJWSA-N 1 2 343.324 3.897 20 0 EHADLO O=C(Nc1ccsc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126501565 1027210420 /nfs/dbraw/zinc/21/04/20/1027210420.db2.gz GUCWHUHZMIBZMR-SJORKVTESA-N 1 2 338.436 3.995 20 0 EHADLO CSc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126700991 1027232452 /nfs/dbraw/zinc/23/24/52/1027232452.db2.gz ZXXTUNWIUGEOMZ-IBGZPJMESA-N 1 2 345.464 3.566 20 0 EHADLO CSc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126700991 1027232457 /nfs/dbraw/zinc/23/24/57/1027232457.db2.gz ZXXTUNWIUGEOMZ-IBGZPJMESA-N 1 2 345.464 3.566 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccccc2C(F)(F)F)cs1 ZINC000126818568 1027244326 /nfs/dbraw/zinc/24/43/26/1027244326.db2.gz KZNWPXRWXVRZPX-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccccc2C(F)(F)F)cs1 ZINC000126818568 1027244341 /nfs/dbraw/zinc/24/43/41/1027244341.db2.gz KZNWPXRWXVRZPX-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(F)C2)ccc1Br ZINC000501410106 1027265000 /nfs/dbraw/zinc/26/50/00/1027265000.db2.gz LVDYPLLKCGXDQE-ABAIWWIYSA-N 1 2 343.240 3.518 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(F)C2)ccc1Br ZINC000501410106 1027265012 /nfs/dbraw/zinc/26/50/12/1027265012.db2.gz LVDYPLLKCGXDQE-ABAIWWIYSA-N 1 2 343.240 3.518 20 0 EHADLO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925248212 1027275022 /nfs/dbraw/zinc/27/50/22/1027275022.db2.gz NXWVGHTXWJHWAQ-QGZVFWFLSA-N 1 2 344.455 3.874 20 0 EHADLO CCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000045294207 1027283618 /nfs/dbraw/zinc/28/36/18/1027283618.db2.gz UQTRGGTYCNHECB-UHFFFAOYSA-N 1 2 329.444 3.501 20 0 EHADLO Clc1ccc([C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C2CC2)cc1 ZINC000302778590 1027286722 /nfs/dbraw/zinc/28/67/22/1027286722.db2.gz HDNRDHOHOQHDIS-SFHVURJKSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccc([C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C2CC2)cc1 ZINC000302778590 1027286737 /nfs/dbraw/zinc/28/67/37/1027286737.db2.gz HDNRDHOHOQHDIS-SFHVURJKSA-N 1 2 344.846 3.530 20 0 EHADLO Brc1csc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302794906 1027295029 /nfs/dbraw/zinc/29/50/29/1027295029.db2.gz OHCZRENGJMEDFE-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Brc1csc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302794906 1027295042 /nfs/dbraw/zinc/29/50/42/1027295042.db2.gz OHCZRENGJMEDFE-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO FC(F)Oc1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)ccn1 ZINC000342810052 1027314544 /nfs/dbraw/zinc/31/45/44/1027314544.db2.gz NWCHVQKZPXSSGM-SFHVURJKSA-N 1 2 341.361 3.957 20 0 EHADLO O=C(COC/C=C/c1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000127487721 1027315875 /nfs/dbraw/zinc/31/58/75/1027315875.db2.gz LYNNTVNTYSYJHD-QPJJXVBHSA-N 1 2 333.391 3.541 20 0 EHADLO COC[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000302854803 1027328268 /nfs/dbraw/zinc/32/82/68/1027328268.db2.gz KQYOYMXZISYRIR-HNNXBMFYSA-N 1 2 328.803 3.665 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)c2ncnn21 ZINC000657568698 1027329545 /nfs/dbraw/zinc/32/95/45/1027329545.db2.gz JAOFYRQBUBNHGA-TVQRCGJNSA-N 1 2 347.216 3.582 20 0 EHADLO COC[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000302854805 1027329981 /nfs/dbraw/zinc/32/99/81/1027329981.db2.gz KQYOYMXZISYRIR-OAHLLOKOSA-N 1 2 328.803 3.665 20 0 EHADLO COCC[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccco1 ZINC000273255067 1027338841 /nfs/dbraw/zinc/33/88/41/1027338841.db2.gz JXXHPNKKLYKEJC-QGZVFWFLSA-N 1 2 342.395 3.811 20 0 EHADLO Cc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)c(OCC2CC2)c1 ZINC000302884488 1027343859 /nfs/dbraw/zinc/34/38/59/1027343859.db2.gz KHVRTAZJATXPEG-UHFFFAOYSA-N 1 2 338.455 3.786 20 0 EHADLO Cc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)c(OCC2CC2)c1 ZINC000302884488 1027343877 /nfs/dbraw/zinc/34/38/77/1027343877.db2.gz KHVRTAZJATXPEG-UHFFFAOYSA-N 1 2 338.455 3.786 20 0 EHADLO Cc1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc[nH+]1 ZINC000067571359 1027357893 /nfs/dbraw/zinc/35/78/93/1027357893.db2.gz PUTDWWIIJLOQKV-UHFFFAOYSA-N 1 2 335.448 3.804 20 0 EHADLO CN1C(=O)[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)Cc2ccccc21 ZINC000657573638 1027358404 /nfs/dbraw/zinc/35/84/04/1027358404.db2.gz NCKYRNMWAFWAIW-NSHDSACASA-N 1 2 341.263 3.732 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OCC ZINC000657571122 1027365672 /nfs/dbraw/zinc/36/56/72/1027365672.db2.gz WDXKXNKZMWCECM-GDBMZVCRSA-N 1 2 344.459 3.651 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)CC(F)F ZINC000640180247 1027382656 /nfs/dbraw/zinc/38/26/56/1027382656.db2.gz WQNUEHSFRHFYMD-NSHDSACASA-N 1 2 336.386 3.714 20 0 EHADLO CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454226004 1027417957 /nfs/dbraw/zinc/41/79/57/1027417957.db2.gz ROYIEYDRJKJPIG-IAGOWNOFSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3C=CCCC3)n2)C1 ZINC000531810222 1027453083 /nfs/dbraw/zinc/45/30/83/1027453083.db2.gz STPZVWRMMHMPLH-UONOGXRCSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3C=CCCC3)n2)C1 ZINC000531810222 1027453096 /nfs/dbraw/zinc/45/30/96/1027453096.db2.gz STPZVWRMMHMPLH-UONOGXRCSA-N 1 2 334.489 3.605 20 0 EHADLO c1cc(-c2nc(C[NH2+]Cc3cnn4ccccc34)cs2)cs1 ZINC000353014134 1027458952 /nfs/dbraw/zinc/45/89/52/1027458952.db2.gz CBRPAEQCDRXXMB-UHFFFAOYSA-N 1 2 326.450 3.809 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c[nH+]1 ZINC000536575371 1027490607 /nfs/dbraw/zinc/49/06/07/1027490607.db2.gz RWAMDGIVLOPJDP-UHFFFAOYSA-N 1 2 345.402 3.625 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[nH]1 ZINC000453179080 1027496141 /nfs/dbraw/zinc/49/61/41/1027496141.db2.gz PDDOMFUHXYLGLL-ZIAGYGMSSA-N 1 2 338.459 3.740 20 0 EHADLO COc1cc(C2(C(=O)Nc3cc(C)[nH+]cc3C)CCCC2)ccc1C ZINC000536575444 1027503756 /nfs/dbraw/zinc/50/37/56/1027503756.db2.gz LFKGCMKKQVXKCD-UHFFFAOYSA-N 1 2 338.451 3.888 20 0 EHADLO Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C)c[nH+]1 ZINC000536575575 1027508764 /nfs/dbraw/zinc/50/87/64/1027508764.db2.gz VXLQKXTWARTMLY-UHFFFAOYSA-N 1 2 330.387 3.997 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152442176 1027533763 /nfs/dbraw/zinc/53/37/63/1027533763.db2.gz YJJZNIRJQVFSOW-IRXDYDNUSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152442176 1027533778 /nfs/dbraw/zinc/53/37/78/1027533778.db2.gz YJJZNIRJQVFSOW-IRXDYDNUSA-N 1 2 338.854 3.921 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000501786309 1027534946 /nfs/dbraw/zinc/53/49/46/1027534946.db2.gz POGACTXQGBYDHW-HUUCEWRRSA-N 1 2 338.245 3.704 20 0 EHADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000501786309 1027534949 /nfs/dbraw/zinc/53/49/49/1027534949.db2.gz POGACTXQGBYDHW-HUUCEWRRSA-N 1 2 338.245 3.704 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)c3ccccc3Cl)no2)C1 ZINC000420496848 1027566921 /nfs/dbraw/zinc/56/69/21/1027566921.db2.gz XGWFEWGCFVYSRH-OAHLLOKOSA-N 1 2 349.862 3.831 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(C(C)(C)c3ccccc3Cl)no2)C1 ZINC000420496848 1027566937 /nfs/dbraw/zinc/56/69/37/1027566937.db2.gz XGWFEWGCFVYSRH-OAHLLOKOSA-N 1 2 349.862 3.831 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC(C1CC1)C1CC1 ZINC000454233685 1027577049 /nfs/dbraw/zinc/57/70/49/1027577049.db2.gz XBXMBXPXVXLZBU-UHFFFAOYSA-N 1 2 344.846 3.514 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414458243 1027602948 /nfs/dbraw/zinc/60/29/48/1027602948.db2.gz XNZCDZSLKRJERS-MRXNPFEDSA-N 1 2 349.521 3.704 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414458243 1027602956 /nfs/dbraw/zinc/60/29/56/1027602956.db2.gz XNZCDZSLKRJERS-MRXNPFEDSA-N 1 2 349.521 3.704 20 0 EHADLO CC[C@@H](C)N(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252374 1027611106 /nfs/dbraw/zinc/61/11/06/1027611106.db2.gz NFICBFYRLPHSEN-NVXWUHKLSA-N 1 2 328.460 3.534 20 0 EHADLO CC[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000666684932 1027627048 /nfs/dbraw/zinc/62/70/48/1027627048.db2.gz XCLSZVJTXURINM-IPMKNSEASA-N 1 2 338.455 3.600 20 0 EHADLO Nc1cc(CNc2ncnc3sc(-c4ccccc4)cc32)cc[nH+]1 ZINC001167613145 1027629897 /nfs/dbraw/zinc/62/98/97/1027629897.db2.gz IFZQDWAXWQELQQ-UHFFFAOYSA-N 1 2 333.420 3.948 20 0 EHADLO CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000422217979 1027656556 /nfs/dbraw/zinc/65/65/56/1027656556.db2.gz XHXOUKOYASUMCW-INIZCTEOSA-N 1 2 341.455 4.000 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CC2)cc1 ZINC000130434071 1027669343 /nfs/dbraw/zinc/66/93/43/1027669343.db2.gz YMNGBSFNSRWGCR-GOSISDBHSA-N 1 2 337.467 3.760 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(c3ccccc3F)CCC2)c[nH+]1 ZINC000645532759 1027687121 /nfs/dbraw/zinc/68/71/21/1027687121.db2.gz HHCXFVYHVORVRV-UHFFFAOYSA-N 1 2 327.403 3.716 20 0 EHADLO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143447568 1027703879 /nfs/dbraw/zinc/70/38/79/1027703879.db2.gz XJHGCXCKJJPFPL-UHFFFAOYSA-N 1 2 340.320 3.986 20 0 EHADLO Cc1cnc2c(c1)C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143447568 1027703892 /nfs/dbraw/zinc/70/38/92/1027703892.db2.gz XJHGCXCKJJPFPL-UHFFFAOYSA-N 1 2 340.320 3.986 20 0 EHADLO Brc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc12 ZINC001142050288 1027732141 /nfs/dbraw/zinc/73/21/41/1027732141.db2.gz ZOFPPPGQQHLEAP-OKILXGFUSA-N 1 2 332.241 3.966 20 0 EHADLO Brc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc12 ZINC001142050288 1027732155 /nfs/dbraw/zinc/73/21/55/1027732155.db2.gz ZOFPPPGQQHLEAP-OKILXGFUSA-N 1 2 332.241 3.966 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420833844 1027767529 /nfs/dbraw/zinc/76/75/29/1027767529.db2.gz MLZMUHGFKCACOF-AWEZNQCLSA-N 1 2 343.475 3.519 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000342872979 1027786153 /nfs/dbraw/zinc/78/61/53/1027786153.db2.gz QLCWGJCAJIMTLQ-FOIQADDNSA-N 1 2 349.434 3.768 20 0 EHADLO Cc1cc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)cc(C)[nH+]1 ZINC000420856958 1027804122 /nfs/dbraw/zinc/80/41/22/1027804122.db2.gz YVMWAUWTKAOFIU-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO FC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000414478282 1027841129 /nfs/dbraw/zinc/84/11/29/1027841129.db2.gz OMMSCLKOCXIFGF-CYBMUJFWSA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000414478282 1027841153 /nfs/dbraw/zinc/84/11/53/1027841153.db2.gz OMMSCLKOCXIFGF-CYBMUJFWSA-N 1 2 325.733 3.919 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)c1 ZINC000131951040 1027842898 /nfs/dbraw/zinc/84/28/98/1027842898.db2.gz DJDZWTLPIGOXQQ-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCCCC1 ZINC000050273227 1027920865 /nfs/dbraw/zinc/92/08/65/1027920865.db2.gz ZYRRRSXFFSLJDO-UHFFFAOYSA-N 1 2 334.510 3.824 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420957146 1027926234 /nfs/dbraw/zinc/92/62/34/1027926234.db2.gz ZIADKCOPXIADGY-ZYHUDNBSSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420957146 1027926247 /nfs/dbraw/zinc/92/62/47/1027926247.db2.gz ZIADKCOPXIADGY-ZYHUDNBSSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1cc(NC(=O)NCCc2ccc(OCC(C)C)cc2)c(C)c[nH+]1 ZINC000536618234 1027936957 /nfs/dbraw/zinc/93/69/57/1027936957.db2.gz FPNODUQJDLUQIT-UHFFFAOYSA-N 1 2 341.455 3.519 20 0 EHADLO Cc1cc(NC(=O)NCC2(c3ccc(F)cc3Cl)CC2)c(C)c[nH+]1 ZINC000536619291 1027938714 /nfs/dbraw/zinc/93/87/14/1027938714.db2.gz XBNAEWBVQPVSQU-UHFFFAOYSA-N 1 2 347.821 3.766 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132619312 1027947059 /nfs/dbraw/zinc/94/70/59/1027947059.db2.gz KAGQKUNQJKYSPA-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000353120927 1027994739 /nfs/dbraw/zinc/99/47/39/1027994739.db2.gz BYDYLCKHEBANOI-OAHLLOKOSA-N 1 2 347.846 3.547 20 0 EHADLO CN(C(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000533539676 1028052797 /nfs/dbraw/zinc/05/27/97/1028052797.db2.gz FKBRBMPWBBLDFJ-UHFFFAOYSA-N 1 2 338.426 3.968 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC23CCC3)c(C)c1 ZINC000533543470 1028053938 /nfs/dbraw/zinc/05/39/38/1028053938.db2.gz FAJOJIOYUAXVPV-SFHVURJKSA-N 1 2 338.455 3.579 20 0 EHADLO Cc1cc(CNC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc(C)[nH+]1 ZINC000421074630 1028058482 /nfs/dbraw/zinc/05/84/82/1028058482.db2.gz VWOODXHCGAHDAG-JTQLQIEISA-N 1 2 330.457 3.601 20 0 EHADLO CC(C)(C)c1ccncc1C[NH2+]Cc1ncc(Br)s1 ZINC000414497407 1028062519 /nfs/dbraw/zinc/06/25/19/1028062519.db2.gz KOOKHBDZJGJZJH-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421059434 1028066573 /nfs/dbraw/zinc/06/65/73/1028066573.db2.gz CIPXHKFORZHRSF-UHFFFAOYSA-N 1 2 331.391 3.948 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)cn2c1 ZINC000533559478 1028078689 /nfs/dbraw/zinc/07/86/89/1028078689.db2.gz KLMLCUICWFLGCI-INIZCTEOSA-N 1 2 341.842 3.949 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)cn2c1 ZINC000533559478 1028078709 /nfs/dbraw/zinc/07/87/09/1028078709.db2.gz KLMLCUICWFLGCI-INIZCTEOSA-N 1 2 341.842 3.949 20 0 EHADLO CCC[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475609609 1028086221 /nfs/dbraw/zinc/08/62/21/1028086221.db2.gz DFCWHCZRZGQCJR-HXUWFJFHSA-N 1 2 332.488 3.556 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cs1 ZINC000052711883 1028124855 /nfs/dbraw/zinc/12/48/55/1028124855.db2.gz FZAVSIHDXXFEOY-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO CC(C)(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCC1 ZINC000455381921 1028125367 /nfs/dbraw/zinc/12/53/67/1028125367.db2.gz IRRLKHLZEJFCID-UHFFFAOYSA-N 1 2 346.519 3.911 20 0 EHADLO Cc1nsc(N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)n1 ZINC000353648045 1028125775 /nfs/dbraw/zinc/12/57/75/1028125775.db2.gz NZXIWMHZLHNBRH-UHFFFAOYSA-N 1 2 348.859 3.568 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698565 1028173802 /nfs/dbraw/zinc/17/38/02/1028173802.db2.gz MEURQVPFZPHJBS-XIKOKIGWSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698565 1028173809 /nfs/dbraw/zinc/17/38/09/1028173809.db2.gz MEURQVPFZPHJBS-XIKOKIGWSA-N 1 2 334.847 3.949 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444702052 1028177625 /nfs/dbraw/zinc/17/76/25/1028177625.db2.gz QQRICIDGBACITB-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444702052 1028177638 /nfs/dbraw/zinc/17/76/38/1028177638.db2.gz QQRICIDGBACITB-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1nc(CSCc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000421211356 1028181393 /nfs/dbraw/zinc/18/13/93/1028181393.db2.gz TXMFQIGVLAOCIU-UHFFFAOYSA-N 1 2 334.510 3.717 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCn2cnc3ccccc32)c(C)[nH+]1 ZINC000455468121 1028199437 /nfs/dbraw/zinc/19/94/37/1028199437.db2.gz GYJYIODJGJFRNM-UHFFFAOYSA-N 1 2 337.427 3.568 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000444723664 1028216950 /nfs/dbraw/zinc/21/69/50/1028216950.db2.gz ACEHXZMMYXOFOS-GWCFXTLKSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000444723664 1028216958 /nfs/dbraw/zinc/21/69/58/1028216958.db2.gz ACEHXZMMYXOFOS-GWCFXTLKSA-N 1 2 336.423 3.576 20 0 EHADLO Cc1ccc(OCCCCNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454273458 1028245763 /nfs/dbraw/zinc/24/57/63/1028245763.db2.gz LCAKWSPGLLEWOS-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(F)F ZINC000454273521 1028246031 /nfs/dbraw/zinc/24/60/31/1028246031.db2.gz HCMIVHCWBQYVBP-PWSUYJOCSA-N 1 2 346.447 3.540 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(F)F ZINC000454273521 1028246048 /nfs/dbraw/zinc/24/60/48/1028246048.db2.gz HCMIVHCWBQYVBP-PWSUYJOCSA-N 1 2 346.447 3.540 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(Cn3cccn3)c2)c(C)[nH+]1 ZINC000455486015 1028256031 /nfs/dbraw/zinc/25/60/31/1028256031.db2.gz RGLPTFNVWVRZHB-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502502167 1028262170 /nfs/dbraw/zinc/26/21/70/1028262170.db2.gz XQWANIJGVVEKTP-HZPDHXFCSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000502502167 1028262185 /nfs/dbraw/zinc/26/21/85/1028262185.db2.gz XQWANIJGVVEKTP-HZPDHXFCSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(COc3ccccc3)CC2)nn1C ZINC000421322841 1028265382 /nfs/dbraw/zinc/26/53/82/1028265382.db2.gz UYUBGBZCOBDQJV-UHFFFAOYSA-N 1 2 333.863 3.673 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502499297 1028278126 /nfs/dbraw/zinc/27/81/26/1028278126.db2.gz CHGNSTBXWLRIFC-LJQANCHMSA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502499297 1028278140 /nfs/dbraw/zinc/27/81/40/1028278140.db2.gz CHGNSTBXWLRIFC-LJQANCHMSA-N 1 2 342.414 3.610 20 0 EHADLO CO[C@](C)(CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455509600 1028286532 /nfs/dbraw/zinc/28/65/32/1028286532.db2.gz GSOYGKJYEBYQOT-LJQANCHMSA-N 1 2 327.428 3.690 20 0 EHADLO Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1OCCC(C)C ZINC000423221140 1028288862 /nfs/dbraw/zinc/28/88/62/1028288862.db2.gz WIXXGHYHCYSMCT-MRXNPFEDSA-N 1 2 333.457 3.515 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000161762800 1028289657 /nfs/dbraw/zinc/28/96/57/1028289657.db2.gz SOAYURAVMJAGPY-NSHDSACASA-N 1 2 343.452 3.500 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000161762800 1028289668 /nfs/dbraw/zinc/28/96/68/1028289668.db2.gz SOAYURAVMJAGPY-NSHDSACASA-N 1 2 343.452 3.500 20 0 EHADLO CCn1c(C)nnc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000444788856 1028289557 /nfs/dbraw/zinc/28/95/57/1028289557.db2.gz YEUOHZDCLKRWBT-CQSZACIVSA-N 1 2 326.366 3.698 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000523436227 1028330302 /nfs/dbraw/zinc/33/03/02/1028330302.db2.gz HIQXINFWGYWLOM-LJQANCHMSA-N 1 2 344.405 3.874 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000523438309 1028331712 /nfs/dbraw/zinc/33/17/12/1028331712.db2.gz XRMMFKCIKWUXFI-INIZCTEOSA-N 1 2 345.483 3.928 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)CC3(c4ccccc4)CC3)ccc2[nH+]1 ZINC000444840582 1028342188 /nfs/dbraw/zinc/34/21/88/1028342188.db2.gz VGDGSOSGLAHTOJ-UHFFFAOYSA-N 1 2 334.423 3.838 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000067557743 1028369526 /nfs/dbraw/zinc/36/95/26/1028369526.db2.gz GJQLBEGBFTVLMZ-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2cccc3[nH+]c(C)cn32)c1 ZINC001211969318 1028396967 /nfs/dbraw/zinc/39/69/67/1028396967.db2.gz CVTSPSWMPLZGSA-UHFFFAOYSA-N 1 2 325.368 3.572 20 0 EHADLO COc1cccc(Nc2ccc(NCc3c[nH+]c4n3CCC4)nc2)c1 ZINC000657709561 1028423144 /nfs/dbraw/zinc/42/31/44/1028423144.db2.gz UKTZMYGLVJHWIA-UHFFFAOYSA-N 1 2 335.411 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193977 1028423872 /nfs/dbraw/zinc/42/38/72/1028423872.db2.gz FVTYMEWIMHDNAW-ZIAGYGMSSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193977 1028423879 /nfs/dbraw/zinc/42/38/79/1028423879.db2.gz FVTYMEWIMHDNAW-ZIAGYGMSSA-N 1 2 332.394 3.663 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698152 1028468923 /nfs/dbraw/zinc/46/89/23/1028468923.db2.gz YLNKVHFZIWGOIA-BXUZGUMPSA-N 1 2 348.447 3.550 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698152 1028468930 /nfs/dbraw/zinc/46/89/30/1028468930.db2.gz YLNKVHFZIWGOIA-BXUZGUMPSA-N 1 2 348.447 3.550 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c[nH+]1 ZINC000455562721 1028473745 /nfs/dbraw/zinc/47/37/45/1028473745.db2.gz SDSOBLTVZFNTQS-IBGZPJMESA-N 1 2 341.430 3.754 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cc1nc(-c2ccccn2)no1 ZINC000071952312 1028492401 /nfs/dbraw/zinc/49/24/01/1028492401.db2.gz NLDSNVMBVDOSPX-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cc1nc(-c2ccccn2)no1 ZINC000071952312 1028492409 /nfs/dbraw/zinc/49/24/09/1028492409.db2.gz NLDSNVMBVDOSPX-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000072979065 1028534160 /nfs/dbraw/zinc/53/41/60/1028534160.db2.gz IGHGKOXSCISAGR-JOCHJYFZSA-N 1 2 345.446 3.814 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000073020366 1028535664 /nfs/dbraw/zinc/53/56/64/1028535664.db2.gz BUQCIKUCVHENCM-MRXNPFEDSA-N 1 2 335.407 3.916 20 0 EHADLO CC[NH+](CC)[C@H](CNC(=O)CCCC(C)=O)c1ccccc1Cl ZINC000194551569 1028540141 /nfs/dbraw/zinc/54/01/41/1028540141.db2.gz IWWHFAMBIDUXQW-QGZVFWFLSA-N 1 2 338.879 3.598 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(CSC(F)F)o1)C2 ZINC000897336655 1028560761 /nfs/dbraw/zinc/56/07/61/1028560761.db2.gz KGDVIUHDTHLARI-UHFFFAOYSA-N 1 2 327.400 3.510 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)c2cccc(Br)c2)cc(C)[nH+]1 ZINC000421576703 1028569329 /nfs/dbraw/zinc/56/93/29/1028569329.db2.gz MYCBOLPULDDNPY-CYBMUJFWSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1cc(CNC(=O)Cc2ccc(Br)cc2C)cc(C)[nH+]1 ZINC000421575628 1028570721 /nfs/dbraw/zinc/57/07/21/1028570721.db2.gz KKSRHYWXMYKDRE-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)c2cccc(Br)c2)cc(C)[nH+]1 ZINC000421576704 1028570739 /nfs/dbraw/zinc/57/07/39/1028570739.db2.gz MYCBOLPULDDNPY-ZDUSSCGKSA-N 1 2 347.256 3.881 20 0 EHADLO CCCOc1ccc(CCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421580456 1028574312 /nfs/dbraw/zinc/57/43/12/1028574312.db2.gz WMOVNIURVFFSAS-UHFFFAOYSA-N 1 2 326.440 3.736 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)cc(C)[nH+]1 ZINC000421581411 1028578060 /nfs/dbraw/zinc/57/80/60/1028578060.db2.gz YRANPWFZOCISJH-MRXNPFEDSA-N 1 2 326.440 3.906 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(F)c1 ZINC000237908814 1028669475 /nfs/dbraw/zinc/66/94/75/1028669475.db2.gz CJUMTZCHZFYYHU-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1F ZINC000325392868 1028690855 /nfs/dbraw/zinc/69/08/55/1028690855.db2.gz WDQSHDAGILPTER-OLZOCXBDSA-N 1 2 332.423 3.564 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C2CCOCC2)n1 ZINC000343404199 1028699170 /nfs/dbraw/zinc/69/91/70/1028699170.db2.gz QNTJMFWJYPNHIR-QGZVFWFLSA-N 1 2 345.374 3.521 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1Cl ZINC000278055638 1028710876 /nfs/dbraw/zinc/71/08/76/1028710876.db2.gz MDLMJYSKLHVXLD-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1Cl ZINC000278055638 1028710890 /nfs/dbraw/zinc/71/08/90/1028710890.db2.gz MDLMJYSKLHVXLD-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccccc1/C=C/C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544788 1028718160 /nfs/dbraw/zinc/71/81/60/1028718160.db2.gz RPHRSWBZUKOUHM-ZHACJKMWSA-N 1 2 331.419 3.569 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)CCc1ccco1)Cc1ccccc1Cl ZINC000583075273 1028754401 /nfs/dbraw/zinc/75/44/01/1028754401.db2.gz GWEADDKWIMSHNI-OAHLLOKOSA-N 1 2 348.874 3.892 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)CCc1ccco1)Cc1ccccc1Cl ZINC000583075273 1028754418 /nfs/dbraw/zinc/75/44/18/1028754418.db2.gz GWEADDKWIMSHNI-OAHLLOKOSA-N 1 2 348.874 3.892 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245537304 1028780908 /nfs/dbraw/zinc/78/09/08/1028780908.db2.gz IUIGDJOWKAKPRA-YLJYHZDGSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245537304 1028780922 /nfs/dbraw/zinc/78/09/22/1028780922.db2.gz IUIGDJOWKAKPRA-YLJYHZDGSA-N 1 2 339.483 3.978 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000421795511 1028783948 /nfs/dbraw/zinc/78/39/48/1028783948.db2.gz ITAAWSTVJZXMPC-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000421795511 1028783961 /nfs/dbraw/zinc/78/39/61/1028783961.db2.gz ITAAWSTVJZXMPC-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000245542453 1028791276 /nfs/dbraw/zinc/79/12/76/1028791276.db2.gz PSIDOZKCAFQNKU-UONOGXRCSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000245542453 1028791291 /nfs/dbraw/zinc/79/12/91/1028791291.db2.gz PSIDOZKCAFQNKU-UONOGXRCSA-N 1 2 347.409 3.572 20 0 EHADLO c1cc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)ccc2s1 ZINC000278074722 1028804923 /nfs/dbraw/zinc/80/49/23/1028804923.db2.gz NNOROSAAKIITME-LSDHHAIUSA-N 1 2 341.436 3.877 20 0 EHADLO c1cc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)ccc2s1 ZINC000278074722 1028804936 /nfs/dbraw/zinc/80/49/36/1028804936.db2.gz NNOROSAAKIITME-LSDHHAIUSA-N 1 2 341.436 3.877 20 0 EHADLO CC(C)c1cnc(SCc2cccc(C[NH+]3CCOCC3)c2)n1C ZINC000421831843 1028821401 /nfs/dbraw/zinc/82/14/01/1028821401.db2.gz FVLLWRVOXFHKRW-UHFFFAOYSA-N 1 2 345.512 3.668 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nnc(C3CC3)s2)C2CC2)c(F)c1 ZINC000421855292 1028846475 /nfs/dbraw/zinc/84/64/75/1028846475.db2.gz MEAVCFQXZQACOK-INIZCTEOSA-N 1 2 333.432 3.804 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000114237357 1028882558 /nfs/dbraw/zinc/88/25/58/1028882558.db2.gz LOZKPNZAXLHRSD-QGZVFWFLSA-N 1 2 329.488 3.773 20 0 EHADLO COc1c(F)cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1F ZINC000114244737 1028887347 /nfs/dbraw/zinc/88/73/47/1028887347.db2.gz HHRYJEXRNBAGLL-UHFFFAOYSA-N 1 2 343.333 3.720 20 0 EHADLO O=[S@](C/C=C/c1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445538713 1028900029 /nfs/dbraw/zinc/90/00/29/1028900029.db2.gz NFJCUKKESUZQTN-KGUVVTLUSA-N 1 2 336.460 3.894 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](C3CCCC3)C1)C2 ZINC000421951972 1028957702 /nfs/dbraw/zinc/95/77/02/1028957702.db2.gz QZOIEFPHZZROEF-JKSUJKDBSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C3CCCC3)C1)CC2 ZINC000421951972 1028957714 /nfs/dbraw/zinc/95/77/14/1028957714.db2.gz QZOIEFPHZZROEF-JKSUJKDBSA-N 1 2 329.488 3.677 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CSc1nnc2n1CCCCC2 ZINC000445601432 1028963087 /nfs/dbraw/zinc/96/30/87/1028963087.db2.gz RYQFHPAYQHXIOZ-UHFFFAOYSA-N 1 2 339.468 3.542 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC000123625878 1028974916 /nfs/dbraw/zinc/97/49/16/1028974916.db2.gz RPKHYRVCWDIQTM-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC000123625878 1028974932 /nfs/dbraw/zinc/97/49/32/1028974932.db2.gz RPKHYRVCWDIQTM-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000245667541 1028988776 /nfs/dbraw/zinc/98/87/76/1028988776.db2.gz ONCCVAXAXKUYGE-UKRRQHHQSA-N 1 2 337.533 3.969 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000245667541 1028988805 /nfs/dbraw/zinc/98/88/05/1028988805.db2.gz ONCCVAXAXKUYGE-UKRRQHHQSA-N 1 2 337.533 3.969 20 0 EHADLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000076563153 1029009317 /nfs/dbraw/zinc/00/93/17/1029009317.db2.gz MTWQEYREVCIDJZ-UHFFFAOYSA-N 1 2 345.874 3.509 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)ccn12 ZINC000583152589 1029013654 /nfs/dbraw/zinc/01/36/54/1029013654.db2.gz YIKIFCGJEPJIEV-GOSISDBHSA-N 1 2 337.398 3.629 20 0 EHADLO CC(=O)Oc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001212071189 1029021597 /nfs/dbraw/zinc/02/15/97/1029021597.db2.gz VHRACVFLPPQEHT-UHFFFAOYSA-N 1 2 346.184 3.766 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000249837652 1029025578 /nfs/dbraw/zinc/02/55/78/1029025578.db2.gz TYZZJCRWGIAZIW-NVXWUHKLSA-N 1 2 344.455 3.939 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000249837652 1029025597 /nfs/dbraw/zinc/02/55/97/1029025597.db2.gz TYZZJCRWGIAZIW-NVXWUHKLSA-N 1 2 344.455 3.939 20 0 EHADLO CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000524269417 1029031998 /nfs/dbraw/zinc/03/19/98/1029031998.db2.gz SZANUDSAVKYXND-FQEVSTJZSA-N 1 2 342.870 3.984 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000076727626 1029038563 /nfs/dbraw/zinc/03/85/63/1029038563.db2.gz URCPIQUDQHMNMC-YVEFUNNKSA-N 1 2 333.407 3.937 20 0 EHADLO CCC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(F)cc1 ZINC000532929687 1029054284 /nfs/dbraw/zinc/05/42/84/1029054284.db2.gz NBNMUQMXBVQUOO-UHFFFAOYSA-N 1 2 342.414 3.879 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(F)cc1 ZINC000532929687 1029054301 /nfs/dbraw/zinc/05/43/01/1029054301.db2.gz NBNMUQMXBVQUOO-UHFFFAOYSA-N 1 2 342.414 3.879 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000076990945 1029069813 /nfs/dbraw/zinc/06/98/13/1029069813.db2.gz GPGGZTJGRGPSRN-QGZVFWFLSA-N 1 2 328.412 3.699 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000076990945 1029069828 /nfs/dbraw/zinc/06/98/28/1029069828.db2.gz GPGGZTJGRGPSRN-QGZVFWFLSA-N 1 2 328.412 3.699 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000666784028 1029072829 /nfs/dbraw/zinc/07/28/29/1029072829.db2.gz KVXGVGRAYOLORJ-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO Cc1cc(CNC(=O)C[C@@H](c2cccs2)n2cccc2)cc(C)[nH+]1 ZINC000422136101 1029089889 /nfs/dbraw/zinc/08/98/89/1029089889.db2.gz KSCCMYCFTBMWGE-KRWDZBQOSA-N 1 2 339.464 3.857 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH+]3C[C@H](C)S[C@@H](C)C3)nc(=O)c2c1C ZINC000532969914 1029115899 /nfs/dbraw/zinc/11/58/99/1029115899.db2.gz LVXAGLOERGHXNK-QXEWZRGKSA-N 1 2 337.514 3.901 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000445787648 1029126416 /nfs/dbraw/zinc/12/64/16/1029126416.db2.gz RMVCUKDCYLMEKX-QGZVFWFLSA-N 1 2 336.888 3.844 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000445787648 1029126424 /nfs/dbraw/zinc/12/64/24/1029126424.db2.gz RMVCUKDCYLMEKX-QGZVFWFLSA-N 1 2 336.888 3.844 20 0 EHADLO CCc1nc(N2CCN(c3cccc4cnccc43)C[C@@H]2C)cc(C)[nH+]1 ZINC000343093340 1029126875 /nfs/dbraw/zinc/12/68/75/1029126875.db2.gz HZSSGZBGXWZCAT-INIZCTEOSA-N 1 2 347.466 3.611 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000124118032 1029132116 /nfs/dbraw/zinc/13/21/16/1029132116.db2.gz OAFURZCOWBOUMM-ZUZCIYMTSA-N 1 2 339.773 3.538 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434168956 1029140876 /nfs/dbraw/zinc/14/08/76/1029140876.db2.gz XHZRAMLOMXNVNF-NXHRZFHOSA-N 1 2 331.460 3.603 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H](F)C3)n2)CC1 ZINC000424600089 1029158927 /nfs/dbraw/zinc/15/89/27/1029158927.db2.gz CEUKNXAYSSLWIZ-ZIAGYGMSSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[C@@H](F)C3)n2)C1 ZINC000424610821 1029169472 /nfs/dbraw/zinc/16/94/72/1029169472.db2.gz QIOMGTBLSHUOHX-HZSPNIEDSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[C@@H](F)C3)n2)C1 ZINC000424610821 1029169481 /nfs/dbraw/zinc/16/94/81/1029169481.db2.gz QIOMGTBLSHUOHX-HZSPNIEDSA-N 1 2 339.480 3.842 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000424631586 1029194821 /nfs/dbraw/zinc/19/48/21/1029194821.db2.gz SDTTYVREJMBBQH-KRWDZBQOSA-N 1 2 325.456 3.624 20 0 EHADLO CCC[C@@H]([NH2+]Cc1c(CC)nn(C)c1OC)c1ncccc1Cl ZINC000925294963 1029199511 /nfs/dbraw/zinc/19/95/11/1029199511.db2.gz NKGBJCMUBKWJOE-OAHLLOKOSA-N 1 2 336.867 3.671 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4(CCC4)[C@H]3c3ccco3)ccc2[nH+]1 ZINC000454688245 1029201969 /nfs/dbraw/zinc/20/19/69/1029201969.db2.gz URJTUFYRZLJIHZ-QGZVFWFLSA-N 1 2 336.395 3.995 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)nn2)cc1 ZINC001142078864 1029211513 /nfs/dbraw/zinc/21/15/13/1029211513.db2.gz VZWNXKVMQRLJLX-INIZCTEOSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)nn2)cc1 ZINC001142078864 1029211526 /nfs/dbraw/zinc/21/15/26/1029211526.db2.gz VZWNXKVMQRLJLX-INIZCTEOSA-N 1 2 345.830 3.644 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3nnc(CC)[nH]3)oc21 ZINC000271902834 1029221886 /nfs/dbraw/zinc/22/18/86/1029221886.db2.gz WBOAPGFNYMJPCX-RYUDHWBXSA-N 1 2 328.416 3.924 20 0 EHADLO c1c2ccccc2sc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278136458 1029251931 /nfs/dbraw/zinc/25/19/31/1029251931.db2.gz RNSZWHYLGYYCEE-UONOGXRCSA-N 1 2 341.436 3.877 20 0 EHADLO c1c2ccccc2sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278136458 1029251943 /nfs/dbraw/zinc/25/19/43/1029251943.db2.gz RNSZWHYLGYYCEE-UONOGXRCSA-N 1 2 341.436 3.877 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C=CCCC2)c(C)c1 ZINC000533069703 1029265512 /nfs/dbraw/zinc/26/55/12/1029265512.db2.gz IINDBESIJJXLTD-MJGOQNOKSA-N 1 2 338.455 3.649 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H](C)CO1 ZINC000245776801 1029278287 /nfs/dbraw/zinc/27/82/87/1029278287.db2.gz SVCMJUTYNRRTTM-LPHOPBHVSA-N 1 2 327.472 3.909 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)[C@@H](C)CO1 ZINC000245776801 1029278301 /nfs/dbraw/zinc/27/83/01/1029278301.db2.gz SVCMJUTYNRRTTM-LPHOPBHVSA-N 1 2 327.472 3.909 20 0 EHADLO CSc1ccc(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000272067643 1029296261 /nfs/dbraw/zinc/29/62/61/1029296261.db2.gz TXICATDQXAPSMB-AWEZNQCLSA-N 1 2 342.468 3.512 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000154784242 1029299015 /nfs/dbraw/zinc/29/90/15/1029299015.db2.gz RDLLFWJTQQBFRG-GJZGRUSLSA-N 1 2 348.491 3.790 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000154793464 1029318576 /nfs/dbraw/zinc/31/85/76/1029318576.db2.gz NVLMGEHRLKZBIJ-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000154793464 1029318592 /nfs/dbraw/zinc/31/85/92/1029318592.db2.gz NVLMGEHRLKZBIJ-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1CCC1=CCCCC1 ZINC000078518437 1029356959 /nfs/dbraw/zinc/35/69/59/1029356959.db2.gz LFFGEBZCQFTXQM-UHFFFAOYSA-N 1 2 344.499 3.635 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000533130148 1029361495 /nfs/dbraw/zinc/36/14/95/1029361495.db2.gz PIORQWOGRNQBDQ-IBGZPJMESA-N 1 2 337.423 3.502 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455582526 1029363359 /nfs/dbraw/zinc/36/33/59/1029363359.db2.gz ZETBIDZNDGGJHJ-GOSISDBHSA-N 1 2 341.455 4.000 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000393330724 1029399942 /nfs/dbraw/zinc/39/99/42/1029399942.db2.gz INQQTCHONJJPOD-ABAIWWIYSA-N 1 2 334.261 3.911 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(Cl)nc1 ZINC000272294247 1029401207 /nfs/dbraw/zinc/40/12/07/1029401207.db2.gz SKURJPIRDRADKN-HZSPNIEDSA-N 1 2 346.862 3.917 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(O)c1OC ZINC000272294603 1029402194 /nfs/dbraw/zinc/40/21/94/1029402194.db2.gz OOVMISPPYNZORQ-UHFFFAOYSA-N 1 2 342.439 3.560 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(O)c1OC ZINC000272294603 1029402205 /nfs/dbraw/zinc/40/22/05/1029402205.db2.gz OOVMISPPYNZORQ-UHFFFAOYSA-N 1 2 342.439 3.560 20 0 EHADLO O=C(NCCSCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050290 1029428045 /nfs/dbraw/zinc/42/80/45/1029428045.db2.gz WIXVFFNAYKMJDX-UHFFFAOYSA-N 1 2 337.448 3.536 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000446161271 1029459982 /nfs/dbraw/zinc/45/99/82/1029459982.db2.gz KSPUXRNQXRRYMA-INIZCTEOSA-N 1 2 338.455 3.560 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000454952736 1029493812 /nfs/dbraw/zinc/49/38/12/1029493812.db2.gz NNEZIUQXUCVYIP-UHFFFAOYSA-N 1 2 332.473 3.984 20 0 EHADLO COCc1nsc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000272548386 1029507802 /nfs/dbraw/zinc/50/78/02/1029507802.db2.gz SSIRQVWKWUDAMJ-GFCCVEGCSA-N 1 2 333.461 3.510 20 0 EHADLO c1coc([C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)N2CCCC2)c1 ZINC000125504998 1029534782 /nfs/dbraw/zinc/53/47/82/1029534782.db2.gz WVIBRBUQRWKEQU-MJGOQNOKSA-N 1 2 336.439 3.519 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@@H](C)CC3(C)C)s2)cc1 ZINC000272615542 1029535908 /nfs/dbraw/zinc/53/59/08/1029535908.db2.gz SDAZMXKDOJLESR-ZDUSSCGKSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@@H](C)CC3(C)C)s2)cc1 ZINC000272615542 1029535926 /nfs/dbraw/zinc/53/59/26/1029535926.db2.gz SDAZMXKDOJLESR-ZDUSSCGKSA-N 1 2 344.484 3.719 20 0 EHADLO CCOc1cc(C[N@H+](CC(=O)OC)[C@@H](C)CC)cc(Cl)c1OC ZINC000467510324 1029537917 /nfs/dbraw/zinc/53/79/17/1029537917.db2.gz GUVVHQFQFYMXDB-LBPRGKRZSA-N 1 2 343.851 3.521 20 0 EHADLO CCOc1cc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)cc(Cl)c1OC ZINC000467510324 1029537925 /nfs/dbraw/zinc/53/79/25/1029537925.db2.gz GUVVHQFQFYMXDB-LBPRGKRZSA-N 1 2 343.851 3.521 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000272663559 1029555584 /nfs/dbraw/zinc/55/55/84/1029555584.db2.gz IKCKDBYYQISBQC-OAHLLOKOSA-N 1 2 348.450 3.751 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125607080 1029561168 /nfs/dbraw/zinc/56/11/68/1029561168.db2.gz KSQBEEFMVJDXGT-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125607080 1029561183 /nfs/dbraw/zinc/56/11/83/1029561183.db2.gz KSQBEEFMVJDXGT-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434318456 1029564965 /nfs/dbraw/zinc/56/49/65/1029564965.db2.gz YEDMNPAHNFEATJ-GOSISDBHSA-N 1 2 343.496 3.933 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434318456 1029564972 /nfs/dbraw/zinc/56/49/72/1029564972.db2.gz YEDMNPAHNFEATJ-GOSISDBHSA-N 1 2 343.496 3.933 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000125628633 1029568939 /nfs/dbraw/zinc/56/89/39/1029568939.db2.gz OSWKWLRMGMABTR-ZIFCJYIRSA-N 1 2 325.456 3.877 20 0 EHADLO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000080059034 1029591633 /nfs/dbraw/zinc/59/16/33/1029591633.db2.gz PITMYKXNPFUPQT-BZSNNMDCSA-N 1 2 347.503 3.764 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000126095048 1029663097 /nfs/dbraw/zinc/66/30/97/1029663097.db2.gz FUOBGSLVJMHVBK-UKRRQHHQSA-N 1 2 329.469 3.547 20 0 EHADLO CC(C)C(C)(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000583343851 1029679505 /nfs/dbraw/zinc/67/95/05/1029679505.db2.gz MIMKNFDQKXHUIW-ZDUSSCGKSA-N 1 2 338.521 3.931 20 0 EHADLO CC(C)C(C)(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000583343851 1029679507 /nfs/dbraw/zinc/67/95/07/1029679507.db2.gz MIMKNFDQKXHUIW-ZDUSSCGKSA-N 1 2 338.521 3.931 20 0 EHADLO CC(=O)Nc1cccc(OCCNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC000892333501 1029684065 /nfs/dbraw/zinc/68/40/65/1029684065.db2.gz DTJYTGIMDBULJM-UHFFFAOYSA-N 1 2 340.427 3.502 20 0 EHADLO Cc1ccc2cccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2n1 ZINC000155928636 1029699439 /nfs/dbraw/zinc/69/94/39/1029699439.db2.gz NYRZRAQYSQDOHS-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428595393 1029736910 /nfs/dbraw/zinc/73/69/10/1029736910.db2.gz FVGOHMDSWUPKLE-AEFFLSMTSA-N 1 2 346.519 3.966 20 0 EHADLO C[C@H](Cc1nc(-c2cc(F)ccc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000583384751 1029747203 /nfs/dbraw/zinc/74/72/03/1029747203.db2.gz FVERMZZEWMLEAO-SECBINFHSA-N 1 2 340.280 3.895 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000525270762 1029765383 /nfs/dbraw/zinc/76/53/83/1029765383.db2.gz AEHGLAQJGQISOQ-CVEARBPZSA-N 1 2 342.508 3.723 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000525270762 1029765392 /nfs/dbraw/zinc/76/53/92/1029765392.db2.gz AEHGLAQJGQISOQ-CVEARBPZSA-N 1 2 342.508 3.723 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446730184 1029776905 /nfs/dbraw/zinc/77/69/05/1029776905.db2.gz YQZHHFGGGVXXFJ-JLTOFOAXSA-N 1 2 344.405 3.955 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446730184 1029776911 /nfs/dbraw/zinc/77/69/11/1029776911.db2.gz YQZHHFGGGVXXFJ-JLTOFOAXSA-N 1 2 344.405 3.955 20 0 EHADLO Cc1nnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)[nH]1 ZINC000428454400 1029803594 /nfs/dbraw/zinc/80/35/94/1029803594.db2.gz QVNVODBFIHXWHS-UHFFFAOYSA-N 1 2 347.875 3.756 20 0 EHADLO CC1=CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000533765838 1029810410 /nfs/dbraw/zinc/81/04/10/1029810410.db2.gz JFGUFGPIRRGPOA-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CC1=CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000533765838 1029810417 /nfs/dbraw/zinc/81/04/17/1029810417.db2.gz JFGUFGPIRRGPOA-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000446839406 1029821666 /nfs/dbraw/zinc/82/16/66/1029821666.db2.gz SHPPZYIPHYDXPB-FQEVSTJZSA-N 1 2 327.472 3.990 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000446839406 1029821675 /nfs/dbraw/zinc/82/16/75/1029821675.db2.gz SHPPZYIPHYDXPB-FQEVSTJZSA-N 1 2 327.472 3.990 20 0 EHADLO CC1(C)CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000533816329 1029863990 /nfs/dbraw/zinc/86/39/90/1029863990.db2.gz SGLKSEJOUMUDIE-UHFFFAOYSA-N 1 2 335.517 3.544 20 0 EHADLO Cc1cnc([C@@H](C)CNc2nc(C)[nH+]c(C)c2Br)s1 ZINC000663797719 1029868058 /nfs/dbraw/zinc/86/80/58/1029868058.db2.gz GNKBOTJEWONSJJ-ZETCQYMHSA-N 1 2 341.278 3.836 20 0 EHADLO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C(F)(F)F ZINC000453200160 1029901916 /nfs/dbraw/zinc/90/19/16/1029901916.db2.gz LAFFGHSNYNITMR-MFKMUULPSA-N 1 2 331.769 3.951 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000453201811 1029903994 /nfs/dbraw/zinc/90/39/94/1029903994.db2.gz AVGIWPRMKLJRGH-KXBFYZLASA-N 1 2 349.482 3.989 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000531868850 1029945987 /nfs/dbraw/zinc/94/59/87/1029945987.db2.gz AKJOHJOTZVNEAN-CQSZACIVSA-N 1 2 336.476 3.916 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000531868850 1029946011 /nfs/dbraw/zinc/94/60/11/1029946011.db2.gz AKJOHJOTZVNEAN-CQSZACIVSA-N 1 2 336.476 3.916 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000455779162 1029950906 /nfs/dbraw/zinc/95/09/06/1029950906.db2.gz RKCGXJMLKQLZJD-GFCCVEGCSA-N 1 2 348.834 3.873 20 0 EHADLO COc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1F ZINC000156711634 1029974781 /nfs/dbraw/zinc/97/47/81/1029974781.db2.gz LAYABKKGQPUWQX-UHFFFAOYSA-N 1 2 325.265 3.646 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C(C)(C)C)s1 ZINC000470000062 1029992167 /nfs/dbraw/zinc/99/21/67/1029992167.db2.gz OHXGMJFEDBNLLP-UHFFFAOYSA-N 1 2 331.485 3.851 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(C)c1 ZINC000120293530 1029994895 /nfs/dbraw/zinc/99/48/95/1029994895.db2.gz GWZVKTREFYHWNK-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(C)c1 ZINC000120293530 1029994910 /nfs/dbraw/zinc/99/49/10/1029994910.db2.gz GWZVKTREFYHWNK-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)sc1Br ZINC000453268876 1030004792 /nfs/dbraw/zinc/00/47/92/1030004792.db2.gz OSZYEXXIAZZTSZ-SECBINFHSA-N 1 2 343.294 3.842 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000531912549 1030031052 /nfs/dbraw/zinc/03/10/52/1030031052.db2.gz QJJWQBVOCMTEQS-UHFFFAOYSA-N 1 2 325.456 3.955 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000531912549 1030031071 /nfs/dbraw/zinc/03/10/71/1030031071.db2.gz QJJWQBVOCMTEQS-UHFFFAOYSA-N 1 2 325.456 3.955 20 0 EHADLO Cc1csc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481841552 1030035607 /nfs/dbraw/zinc/03/56/07/1030035607.db2.gz XWGMJMHQYONSGW-KFWWJZLASA-N 1 2 336.501 3.926 20 0 EHADLO Cc1csc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481841552 1030035626 /nfs/dbraw/zinc/03/56/26/1030035626.db2.gz XWGMJMHQYONSGW-KFWWJZLASA-N 1 2 336.501 3.926 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nn(CCC(C)C)c3ccccc23)nn1C ZINC000453312276 1030086080 /nfs/dbraw/zinc/08/60/80/1030086080.db2.gz QFSQSQUCAIGMIW-MRXNPFEDSA-N 1 2 339.487 3.975 20 0 EHADLO C[C@@](CO)([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000600644081 1030101905 /nfs/dbraw/zinc/10/19/05/1030101905.db2.gz DWYRHAYISBGFII-IBGZPJMESA-N 1 2 342.439 3.947 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651373 1030108952 /nfs/dbraw/zinc/10/89/52/1030108952.db2.gz BWDLIUULRFKLJU-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651373 1030108962 /nfs/dbraw/zinc/10/89/62/1030108962.db2.gz BWDLIUULRFKLJU-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O=C([C@H](c1ccccc1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000120805416 1030109695 /nfs/dbraw/zinc/10/96/95/1030109695.db2.gz QXFQMPQWPPIGGG-LJQANCHMSA-N 1 2 340.492 3.586 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)C2CCCC2)o1 ZINC000453342048 1030126355 /nfs/dbraw/zinc/12/63/55/1030126355.db2.gz FLYJEYZVCONIBM-GOSISDBHSA-N 1 2 337.427 3.789 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000428481269 1030132631 /nfs/dbraw/zinc/13/26/31/1030132631.db2.gz JSQVNOYDYRTQCO-IRXDYDNUSA-N 1 2 334.508 3.836 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(C4CCC4)c3)n2)C1 ZINC000583569295 1030146503 /nfs/dbraw/zinc/14/65/03/1030146503.db2.gz UDLVKZVXSZOGSI-KRWDZBQOSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(C4CCC4)c3)n2)C1 ZINC000583569295 1030146510 /nfs/dbraw/zinc/14/65/10/1030146510.db2.gz UDLVKZVXSZOGSI-KRWDZBQOSA-N 1 2 327.428 3.786 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000481998376 1030155584 /nfs/dbraw/zinc/15/55/84/1030155584.db2.gz LCKMHCWJEXTADO-CYBMUJFWSA-N 1 2 329.893 3.612 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000481998376 1030155594 /nfs/dbraw/zinc/15/55/94/1030155594.db2.gz LCKMHCWJEXTADO-CYBMUJFWSA-N 1 2 329.893 3.612 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccn(C2CCCCC2)n1 ZINC000525928632 1030231508 /nfs/dbraw/zinc/23/15/08/1030231508.db2.gz CSJPLINPDCMNSR-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO CC[C@H]([NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)NC ZINC000453392715 1030240314 /nfs/dbraw/zinc/24/03/14/1030240314.db2.gz DZMPAEKEQWYBDM-IRXDYDNUSA-N 1 2 334.822 3.683 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000525977763 1030264124 /nfs/dbraw/zinc/26/41/24/1030264124.db2.gz IABHYRKDFGTIKD-BBRMVZONSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000525977763 1030264142 /nfs/dbraw/zinc/26/41/42/1030264142.db2.gz IABHYRKDFGTIKD-BBRMVZONSA-N 1 2 339.863 3.691 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1cc(Cl)ccc1F ZINC000138870022 1030287973 /nfs/dbraw/zinc/28/79/73/1030287973.db2.gz CMWKRFIHYUTCTF-QGZVFWFLSA-N 1 2 348.805 3.960 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1cc(Cl)ccc1F ZINC000138870022 1030287986 /nfs/dbraw/zinc/28/79/86/1030287986.db2.gz CMWKRFIHYUTCTF-QGZVFWFLSA-N 1 2 348.805 3.960 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccncc1 ZINC000267915088 1030299586 /nfs/dbraw/zinc/29/95/86/1030299586.db2.gz PBKFWBSWSUOQFQ-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccncc1 ZINC000267915088 1030299600 /nfs/dbraw/zinc/29/96/00/1030299600.db2.gz PBKFWBSWSUOQFQ-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000091890092 1030329810 /nfs/dbraw/zinc/32/98/10/1030329810.db2.gz CMNSFYYKTVXSLA-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C1CC1)C1CCCC1 ZINC000526002413 1030341384 /nfs/dbraw/zinc/34/13/84/1030341384.db2.gz ZQSAQMQNYISAHD-UHFFFAOYSA-N 1 2 333.382 3.557 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000091990266 1030358160 /nfs/dbraw/zinc/35/81/60/1030358160.db2.gz XIRULOSSCDIBES-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000091990266 1030358181 /nfs/dbraw/zinc/35/81/81/1030358181.db2.gz XIRULOSSCDIBES-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F ZINC000092017911 1030360695 /nfs/dbraw/zinc/36/06/95/1030360695.db2.gz JKWMHPDUWJQAIK-STQMWFEESA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F ZINC000092017911 1030360708 /nfs/dbraw/zinc/36/07/08/1030360708.db2.gz JKWMHPDUWJQAIK-STQMWFEESA-N 1 2 347.377 3.636 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2cn3ccsc3n2)s1 ZINC000453592331 1030385044 /nfs/dbraw/zinc/38/50/44/1030385044.db2.gz RBYPTOQKOBNNOI-UHFFFAOYSA-N 1 2 342.287 3.818 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453615594 1030405957 /nfs/dbraw/zinc/40/59/57/1030405957.db2.gz QQIGXJCKWROMAG-OAHLLOKOSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453615594 1030405963 /nfs/dbraw/zinc/40/59/63/1030405963.db2.gz QQIGXJCKWROMAG-OAHLLOKOSA-N 1 2 335.249 3.521 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000526115652 1030431588 /nfs/dbraw/zinc/43/15/88/1030431588.db2.gz HXJOKUSEABPIOD-UHFFFAOYSA-N 1 2 325.884 3.635 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000482460992 1030445883 /nfs/dbraw/zinc/44/58/83/1030445883.db2.gz YYXNMLHVWSTADL-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000482460992 1030445887 /nfs/dbraw/zinc/44/58/87/1030445887.db2.gz YYXNMLHVWSTADL-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000482460994 1030447309 /nfs/dbraw/zinc/44/73/09/1030447309.db2.gz YYXNMLHVWSTADL-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000482460994 1030447316 /nfs/dbraw/zinc/44/73/16/1030447316.db2.gz YYXNMLHVWSTADL-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3c(C4CCC4)cnn3C)CCO2)cc1 ZINC000668054204 1030456000 /nfs/dbraw/zinc/45/60/00/1030456000.db2.gz OJQRPNZLLJRXPD-OAQYLSRUSA-N 1 2 339.483 3.824 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3c(C4CCC4)cnn3C)CCO2)cc1 ZINC000668054204 1030456009 /nfs/dbraw/zinc/45/60/09/1030456009.db2.gz OJQRPNZLLJRXPD-OAQYLSRUSA-N 1 2 339.483 3.824 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C)c2)s1 ZINC000122033813 1030485488 /nfs/dbraw/zinc/48/54/88/1030485488.db2.gz HQDPHOURNVKALL-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C)c2)s1 ZINC000122033813 1030485494 /nfs/dbraw/zinc/48/54/94/1030485494.db2.gz HQDPHOURNVKALL-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)n1cc[nH+]c1 ZINC000567991470 1030488444 /nfs/dbraw/zinc/48/84/44/1030488444.db2.gz UUIGPNNSGVOZFN-XPTSAGLGSA-N 1 2 347.287 3.532 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2c1 ZINC000171038988 1030496387 /nfs/dbraw/zinc/49/63/87/1030496387.db2.gz SVPJLXXSUZCGOR-KRWDZBQOSA-N 1 2 335.407 3.671 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2c1 ZINC000171038988 1030496389 /nfs/dbraw/zinc/49/63/89/1030496389.db2.gz SVPJLXXSUZCGOR-KRWDZBQOSA-N 1 2 335.407 3.671 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c(OCCC(C)C)c1 ZINC000925254087 1030507243 /nfs/dbraw/zinc/50/72/43/1030507243.db2.gz MEZZGJRTTHPFOV-WBVHZDCISA-N 1 2 328.460 3.807 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829379 1030518800 /nfs/dbraw/zinc/51/88/00/1030518800.db2.gz SJJZNIBEMWYGGK-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829379 1030518813 /nfs/dbraw/zinc/51/88/13/1030518813.db2.gz SJJZNIBEMWYGGK-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3ncsc3c1)C2 ZINC000526994279 1030557508 /nfs/dbraw/zinc/55/75/08/1030557508.db2.gz PKVSOYJRGHWZDP-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3ncsc3c1)CC2 ZINC000526994279 1030557510 /nfs/dbraw/zinc/55/75/10/1030557510.db2.gz PKVSOYJRGHWZDP-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO Cc1ccc(CCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000343375901 1030576093 /nfs/dbraw/zinc/57/60/93/1030576093.db2.gz QYQRBLNIAYWGTB-UHFFFAOYSA-N 1 2 340.452 3.658 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093236610 1030577232 /nfs/dbraw/zinc/57/72/32/1030577232.db2.gz UQGYCOYXNWSLLB-YOEHRIQHSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093236610 1030577244 /nfs/dbraw/zinc/57/72/44/1030577244.db2.gz UQGYCOYXNWSLLB-YOEHRIQHSA-N 1 2 343.496 3.672 20 0 EHADLO Brc1cccc(Br)c1OCC[NH+]1CCCC1 ZINC000482620430 1030586605 /nfs/dbraw/zinc/58/66/05/1030586605.db2.gz PILJOLISPBBPJE-UHFFFAOYSA-N 1 2 349.066 3.686 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(F)cc1)n1cc[nH+]c1 ZINC000635174066 1030589348 /nfs/dbraw/zinc/58/93/48/1030589348.db2.gz JVZYIPUWHWNVDU-MSOLQXFVSA-N 1 2 329.419 3.973 20 0 EHADLO FC(F)(F)c1csc(C[NH2+]Cc2ccnn2-c2ccccc2)n1 ZINC000447940077 1030594771 /nfs/dbraw/zinc/59/47/71/1030594771.db2.gz AUWXQLZXIFOTRJ-UHFFFAOYSA-N 1 2 338.358 3.637 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000193734739 1030605901 /nfs/dbraw/zinc/60/59/01/1030605901.db2.gz ITVXBKPOKRSETL-CQSZACIVSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CCSC[C@@H]2C)c(C)n1Cc1ccco1 ZINC000448013491 1030666591 /nfs/dbraw/zinc/66/65/91/1030666591.db2.gz XBCGWLANYXAPOI-HOCLYGCPSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@H+]2CCSC[C@@H]2C)c(C)n1Cc1ccco1 ZINC000448013491 1030666596 /nfs/dbraw/zinc/66/65/96/1030666596.db2.gz XBCGWLANYXAPOI-HOCLYGCPSA-N 1 2 346.496 3.755 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000635198009 1030667440 /nfs/dbraw/zinc/66/74/40/1030667440.db2.gz CDYKAESQDLUSEO-AQNXPRMDSA-N 1 2 343.430 3.688 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000635198009 1030667460 /nfs/dbraw/zinc/66/74/60/1030667460.db2.gz CDYKAESQDLUSEO-AQNXPRMDSA-N 1 2 343.430 3.688 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000169950736 1030682052 /nfs/dbraw/zinc/68/20/52/1030682052.db2.gz PZSNCKZNCZZMFQ-UHFFFAOYSA-N 1 2 337.810 3.945 20 0 EHADLO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841624 1030684534 /nfs/dbraw/zinc/68/45/34/1030684534.db2.gz ZHKRJVCGZXZPHT-KRWDZBQOSA-N 1 2 343.814 3.897 20 0 EHADLO Clc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841624 1030684539 /nfs/dbraw/zinc/68/45/39/1030684539.db2.gz ZHKRJVCGZXZPHT-KRWDZBQOSA-N 1 2 343.814 3.897 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841761 1030685136 /nfs/dbraw/zinc/68/51/36/1030685136.db2.gz QOAKXEPHOFYMOB-OAHLLOKOSA-N 1 2 327.302 3.752 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841761 1030685145 /nfs/dbraw/zinc/68/51/45/1030685145.db2.gz QOAKXEPHOFYMOB-OAHLLOKOSA-N 1 2 327.302 3.752 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c(C)c1 ZINC000194218566 1030704350 /nfs/dbraw/zinc/70/43/50/1030704350.db2.gz HAKPHMBONGMMNC-UHFFFAOYSA-N 1 2 348.450 3.730 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000657793355 1030737561 /nfs/dbraw/zinc/73/75/61/1030737561.db2.gz KKMJUIBMGIALJJ-UHFFFAOYSA-N 1 2 328.794 3.692 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc3ncsc3c2)c[nH+]1 ZINC000583795447 1030758027 /nfs/dbraw/zinc/75/80/27/1030758027.db2.gz HPABMXMNQDAUKT-ZDUSSCGKSA-N 1 2 340.452 3.869 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(C(F)F)c1 ZINC000171466943 1030783051 /nfs/dbraw/zinc/78/30/51/1030783051.db2.gz RADQXOGAOQTOBV-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000527324733 1030797395 /nfs/dbraw/zinc/79/73/95/1030797395.db2.gz LVNUNZCJPQDUSF-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000527324733 1030797403 /nfs/dbraw/zinc/79/74/03/1030797403.db2.gz LVNUNZCJPQDUSF-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO O=C(NCCCC1CCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033336 1030804099 /nfs/dbraw/zinc/80/40/99/1030804099.db2.gz OFKPRGBQTWNZRP-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172094200 1030829629 /nfs/dbraw/zinc/82/96/29/1030829629.db2.gz WZFBCGBWZLULPS-VQIMIIECSA-N 1 2 331.419 3.891 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000668177267 1030863381 /nfs/dbraw/zinc/86/33/81/1030863381.db2.gz SXDKUJKVCVEXNE-LSDHHAIUSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000668177267 1030863407 /nfs/dbraw/zinc/86/34/07/1030863407.db2.gz SXDKUJKVCVEXNE-LSDHHAIUSA-N 1 2 339.277 3.542 20 0 EHADLO CC(C)Oc1ccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000550999397 1030874070 /nfs/dbraw/zinc/87/40/70/1030874070.db2.gz PXSJTDJERCVYMX-QGZVFWFLSA-N 1 2 342.468 3.575 20 0 EHADLO CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000668190452 1030906344 /nfs/dbraw/zinc/90/63/44/1030906344.db2.gz DDTPRLKXYOYUDM-AWEZNQCLSA-N 1 2 325.403 3.652 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C)[nH+]1 ZINC000097214119 1030906379 /nfs/dbraw/zinc/90/63/79/1030906379.db2.gz OHQIGPGSMARFCR-UHFFFAOYSA-N 1 2 342.424 3.690 20 0 EHADLO CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000080538223 1030920550 /nfs/dbraw/zinc/92/05/50/1030920550.db2.gz RIBJENJJZIQVEP-SFHVURJKSA-N 1 2 343.471 3.822 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc(C(C)(C)C)co1)c1cccc(Cl)c1 ZINC000568179701 1030937788 /nfs/dbraw/zinc/93/77/88/1030937788.db2.gz YRLUPRNVRGTAEM-CQSZACIVSA-N 1 2 335.835 3.867 20 0 EHADLO O=C(NCC1=CCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666957902 1030972714 /nfs/dbraw/zinc/97/27/14/1030972714.db2.gz IYZMLXOHNDSBJF-MOPGFXCFSA-N 1 2 336.439 3.521 20 0 EHADLO FC(F)(F)c1ccccc1CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343468986 1031004698 /nfs/dbraw/zinc/00/46/98/1031004698.db2.gz BCIFHFDHQIJFLG-MRXNPFEDSA-N 1 2 346.356 3.745 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000483151488 1031005124 /nfs/dbraw/zinc/00/51/24/1031005124.db2.gz XLMKYXHZJSUWHB-AHIWAGSCSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000483151488 1031005140 /nfs/dbraw/zinc/00/51/40/1031005140.db2.gz XLMKYXHZJSUWHB-AHIWAGSCSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000172849831 1031012851 /nfs/dbraw/zinc/01/28/51/1031012851.db2.gz GBYAJOUHHFNOFH-LBPRGKRZSA-N 1 2 327.334 3.893 20 0 EHADLO CCCc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000172849807 1031013626 /nfs/dbraw/zinc/01/36/26/1031013626.db2.gz AHPBHHCSISILIZ-UHFFFAOYSA-N 1 2 330.388 3.673 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1nccs1 ZINC000131320086 1031017829 /nfs/dbraw/zinc/01/78/29/1031017829.db2.gz MWBUZJNLXDAGBM-UHFFFAOYSA-N 1 2 326.469 3.916 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116171745 1031020039 /nfs/dbraw/zinc/02/00/39/1031020039.db2.gz IEVZUKMYODLDDP-QWHCGFSZSA-N 1 2 339.345 3.893 20 0 EHADLO CC[N@H+](CC(=O)NCCC1(F)CCC1)Cc1ccccc1Cl ZINC000583879203 1031023574 /nfs/dbraw/zinc/02/35/74/1031023574.db2.gz FXMYADVOBDAPKN-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO CC[N@@H+](CC(=O)NCCC1(F)CCC1)Cc1ccccc1Cl ZINC000583879203 1031023590 /nfs/dbraw/zinc/02/35/90/1031023590.db2.gz FXMYADVOBDAPKN-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO CCOc1c(F)cccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000172913715 1031030672 /nfs/dbraw/zinc/03/06/72/1031030672.db2.gz XUHNSRNSQHOVJE-UHFFFAOYSA-N 1 2 346.402 3.517 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCc3nc(C(C)C)ncc3C2)c(C)[nH+]1 ZINC000527606870 1031034065 /nfs/dbraw/zinc/03/40/65/1031034065.db2.gz YDFKUXSQXBSHCT-UHFFFAOYSA-N 1 2 339.443 3.510 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]CC1(OC)CCCC1 ZINC000483251987 1031065619 /nfs/dbraw/zinc/06/56/19/1031065619.db2.gz GMQMLPCWVFSPFV-UHFFFAOYSA-N 1 2 348.487 3.682 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)o1 ZINC000527641321 1031068572 /nfs/dbraw/zinc/06/85/72/1031068572.db2.gz NGVPMPFEOCWRCU-NHYWBVRUSA-N 1 2 328.441 3.550 20 0 EHADLO c1nnc([C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c2cccnc2)[nH]1 ZINC000551175846 1031077186 /nfs/dbraw/zinc/07/71/86/1031077186.db2.gz ONKXGPGBHHSCQY-QRQLOZEOSA-N 1 2 333.439 3.605 20 0 EHADLO Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173568931 1031114766 /nfs/dbraw/zinc/11/47/66/1031114766.db2.gz DPBCXASKEOJXDF-IBGZPJMESA-N 1 2 334.423 3.578 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(C(C)(F)F)cc3)[nH+]c12 ZINC000583923625 1031135280 /nfs/dbraw/zinc/13/52/80/1031135280.db2.gz ZQFUDEQWXGVVIK-UHFFFAOYSA-N 1 2 343.377 3.613 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000173973802 1031140684 /nfs/dbraw/zinc/14/06/84/1031140684.db2.gz UKFWJLSXSHKZFY-MRXNPFEDSA-N 1 2 349.434 3.651 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000455886426 1031146999 /nfs/dbraw/zinc/14/69/99/1031146999.db2.gz PVWADKNLSFDCKW-VSUDTEGISA-N 1 2 349.478 3.930 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527729824 1031160905 /nfs/dbraw/zinc/16/09/05/1031160905.db2.gz YQPIFNYGWDSLHV-KRWDZBQOSA-N 1 2 342.508 3.580 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247694324 1031165419 /nfs/dbraw/zinc/16/54/19/1031165419.db2.gz SZJIKXQSNSFPGV-AOIWGVFYSA-N 1 2 340.471 3.854 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CCC1 ZINC000483437875 1031171279 /nfs/dbraw/zinc/17/12/79/1031171279.db2.gz HIFNECBNKCIGDT-SNVBAGLBSA-N 1 2 347.789 3.857 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CCC1 ZINC000483437875 1031171288 /nfs/dbraw/zinc/17/12/88/1031171288.db2.gz HIFNECBNKCIGDT-SNVBAGLBSA-N 1 2 347.789 3.857 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnn(CC(C)C)c3)CCO2)cc1 ZINC000483445865 1031177406 /nfs/dbraw/zinc/17/74/06/1031177406.db2.gz VVWOBLDSXKSNFF-HXUWFJFHSA-N 1 2 327.472 3.675 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnn(CC(C)C)c3)CCO2)cc1 ZINC000483445865 1031177418 /nfs/dbraw/zinc/17/74/18/1031177418.db2.gz VVWOBLDSXKSNFF-HXUWFJFHSA-N 1 2 327.472 3.675 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000583943248 1031194587 /nfs/dbraw/zinc/19/45/87/1031194587.db2.gz DCLSRZMLTVAISZ-OAHLLOKOSA-N 1 2 341.499 3.980 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000583943248 1031194595 /nfs/dbraw/zinc/19/45/95/1031194595.db2.gz DCLSRZMLTVAISZ-OAHLLOKOSA-N 1 2 341.499 3.980 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C(F)F)CC1 ZINC000483530842 1031200049 /nfs/dbraw/zinc/20/00/49/1031200049.db2.gz RYJHFOMOCFNTPJ-VIFPVBQESA-N 1 2 334.769 3.783 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000483528109 1031201125 /nfs/dbraw/zinc/20/11/25/1031201125.db2.gz MFOZPEGEFAHAGO-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000483528109 1031201142 /nfs/dbraw/zinc/20/11/42/1031201142.db2.gz MFOZPEGEFAHAGO-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000551352511 1031260409 /nfs/dbraw/zinc/26/04/09/1031260409.db2.gz ZYUDDXZDAWPDLM-HKUYNNGSSA-N 1 2 327.472 3.540 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C(F)F)c1 ZINC000583973183 1031281395 /nfs/dbraw/zinc/28/13/95/1031281395.db2.gz OYCWABJIKDQOTM-WMLDXEAASA-N 1 2 335.398 3.650 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@H](COC)C1 ZINC000483715991 1031294609 /nfs/dbraw/zinc/29/46/09/1031294609.db2.gz TXLAXGYSXFYVFS-YOEHRIQHSA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@H](COC)C1 ZINC000483715991 1031294625 /nfs/dbraw/zinc/29/46/25/1031294625.db2.gz TXLAXGYSXFYVFS-YOEHRIQHSA-N 1 2 339.863 3.693 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1=C(c2ccccc2)CCC1 ZINC000448631763 1031355129 /nfs/dbraw/zinc/35/51/29/1031355129.db2.gz ZMMJQMHQKFONPU-UHFFFAOYSA-N 1 2 347.462 3.936 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000151341631 1031361662 /nfs/dbraw/zinc/36/16/62/1031361662.db2.gz ZVOIDXOPZCTUOG-VQTJNVASSA-N 1 2 337.467 3.764 20 0 EHADLO COc1c(Cl)cc(-c2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC001204823023 1031381175 /nfs/dbraw/zinc/38/11/75/1031381175.db2.gz GHBOQOKRNVDGTJ-UHFFFAOYSA-N 1 2 339.222 3.901 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1F ZINC000668283142 1031384810 /nfs/dbraw/zinc/38/48/10/1031384810.db2.gz JWSYTDBEGNNQFW-BONVTDFDSA-N 1 2 343.320 3.778 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894163 1031389903 /nfs/dbraw/zinc/38/99/03/1031389903.db2.gz UDDJFOIKHNSCFR-CXAGYDPISA-N 1 2 327.453 3.533 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000483940143 1031402884 /nfs/dbraw/zinc/40/28/84/1031402884.db2.gz CWNCWDOZQKTSAO-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCc2c(Cl)cccc2C1 ZINC000483940143 1031402894 /nfs/dbraw/zinc/40/28/94/1031402894.db2.gz CWNCWDOZQKTSAO-SFHVURJKSA-N 1 2 326.827 3.652 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCc4cc(C)ccc4C3)n2)cc1 ZINC000483970929 1031408484 /nfs/dbraw/zinc/40/84/84/1031408484.db2.gz DPJZYEVXOLHBRD-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCc4cc(C)ccc4C3)n2)cc1 ZINC000483970929 1031408493 /nfs/dbraw/zinc/40/84/93/1031408493.db2.gz DPJZYEVXOLHBRD-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448681572 1031416400 /nfs/dbraw/zinc/41/64/00/1031416400.db2.gz QIAKBJJBUCEVGO-RTBURBONSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccc(F)cc3)sc2c1 ZINC000551552198 1031446481 /nfs/dbraw/zinc/44/64/81/1031446481.db2.gz HFCKLQUHIBMGBF-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccc(F)cc3)sc2c1 ZINC000551552198 1031446496 /nfs/dbraw/zinc/44/64/96/1031446496.db2.gz HFCKLQUHIBMGBF-UHFFFAOYSA-N 1 2 343.427 3.814 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2cccnc2)cc1 ZINC000176739622 1031453073 /nfs/dbraw/zinc/45/30/73/1031453073.db2.gz JQCDPTOULGYPGA-CYBMUJFWSA-N 1 2 330.395 3.598 20 0 EHADLO CC(C)(C)c1csc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000635408249 1031454509 /nfs/dbraw/zinc/45/45/09/1031454509.db2.gz JECUEBZSCZWJHT-SNVBAGLBSA-N 1 2 346.378 3.769 20 0 EHADLO O[C@@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)Cc1ccccc1 ZINC000551590780 1031477448 /nfs/dbraw/zinc/47/74/48/1031477448.db2.gz MDYLITXQUSPTKN-HXUWFJFHSA-N 1 2 348.446 3.869 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1ccncn1 ZINC000527951401 1031485175 /nfs/dbraw/zinc/48/51/75/1031485175.db2.gz RSVSNWFUCLLDLM-DTWKUNHWSA-N 1 2 342.187 3.929 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H]1C ZINC000448726387 1031514872 /nfs/dbraw/zinc/51/48/72/1031514872.db2.gz QTCANOCQIKGXMJ-JFIYKMOQSA-N 1 2 329.488 3.760 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347426036 1031515122 /nfs/dbraw/zinc/51/51/22/1031515122.db2.gz HGAAKMWAOAZUFO-GOEBONIOSA-N 1 2 345.874 3.658 20 0 EHADLO Cc1cccn2cc(C[S@](=O)[C@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000083953238 1031539762 /nfs/dbraw/zinc/53/97/62/1031539762.db2.gz MDAPFLMDGWFBLH-SFDCACGMSA-N 1 2 334.391 3.931 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365546 1031555812 /nfs/dbraw/zinc/55/58/12/1031555812.db2.gz YGGKFMGJRQGDBX-LIRRHRJNSA-N 1 2 343.423 3.763 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365546 1031555821 /nfs/dbraw/zinc/55/58/21/1031555821.db2.gz YGGKFMGJRQGDBX-LIRRHRJNSA-N 1 2 343.423 3.763 20 0 EHADLO CCC[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347434142 1031575936 /nfs/dbraw/zinc/57/59/36/1031575936.db2.gz QRBGJXPOCOEYCY-MSOLQXFVSA-N 1 2 325.456 3.710 20 0 EHADLO CC(C)Cc1noc(CSCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177821703 1031576233 /nfs/dbraw/zinc/57/62/33/1031576233.db2.gz OGOZCCUFMCYHAB-UHFFFAOYSA-N 1 2 328.441 3.887 20 0 EHADLO Cc1c(Br)cccc1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000484458999 1031592570 /nfs/dbraw/zinc/59/25/70/1031592570.db2.gz RKHOULMUGHREIE-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000177930196 1031595557 /nfs/dbraw/zinc/59/55/57/1031595557.db2.gz IWCFVRFWBAQVME-INIZCTEOSA-N 1 2 342.830 3.938 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347455662 1031611494 /nfs/dbraw/zinc/61/14/94/1031611494.db2.gz XQAJWOAMKOXRDY-HZPDHXFCSA-N 1 2 343.496 3.555 20 0 EHADLO Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178055946 1031613793 /nfs/dbraw/zinc/61/37/93/1031613793.db2.gz OPAQFEMKZNTLFB-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO CS[C@H]1CCC[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000117217912 1031628534 /nfs/dbraw/zinc/62/85/34/1031628534.db2.gz DWZMYXOEMPCZLR-GJZGRUSLSA-N 1 2 329.469 3.585 20 0 EHADLO Cc1cc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000278613900 1031650917 /nfs/dbraw/zinc/65/09/17/1031650917.db2.gz GWKNKHBDCVURBR-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000278613900 1031650922 /nfs/dbraw/zinc/65/09/22/1031650922.db2.gz GWKNKHBDCVURBR-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(N)nc(SCc2csc(CCc3ccccc3)n2)[nH+]1 ZINC000084646471 1031660050 /nfs/dbraw/zinc/66/00/50/1031660050.db2.gz XTYBTKMXIRCAFE-UHFFFAOYSA-N 1 2 342.493 3.901 20 0 EHADLO COc1cccc2c(NC[C@H](n3cccn3)C(F)(F)F)cc[nH+]c12 ZINC000528081037 1031709683 /nfs/dbraw/zinc/70/96/83/1031709683.db2.gz ORCPEVRGYBINCI-AWEZNQCLSA-N 1 2 336.317 3.655 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168651 1031746598 /nfs/dbraw/zinc/74/65/98/1031746598.db2.gz CRMBODUAKQWINV-IUCAKERBSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168651 1031746608 /nfs/dbraw/zinc/74/66/08/1031746608.db2.gz CRMBODUAKQWINV-IUCAKERBSA-N 1 2 333.297 3.655 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4C[C@H]4c4ccsc4)n3)[nH+]c12 ZINC000528120338 1031752276 /nfs/dbraw/zinc/75/22/76/1031752276.db2.gz DOCOIXHPSNROGG-LSDHHAIUSA-N 1 2 336.420 3.949 20 0 EHADLO CCC(CC)c1nnc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000117570865 1031754067 /nfs/dbraw/zinc/75/40/67/1031754067.db2.gz GTNLMHNBXFWSGZ-UHFFFAOYSA-N 1 2 341.440 3.880 20 0 EHADLO COc1ccc(CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000117582013 1031756233 /nfs/dbraw/zinc/75/62/33/1031756233.db2.gz ZNDOSHBNSKEWOT-UHFFFAOYSA-N 1 2 347.418 3.686 20 0 EHADLO CC(C)(C)c1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncn1 ZINC000685268539 1031768603 /nfs/dbraw/zinc/76/86/03/1031768603.db2.gz PEACOQBTAPNEAV-UHFFFAOYSA-N 1 2 325.391 3.711 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@@H+](C)Cc3cccs3)sc2c1 ZINC000477670124 1031771789 /nfs/dbraw/zinc/77/17/89/1031771789.db2.gz BDWUYKJYDAYAGU-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@H+](C)Cc3cccs3)sc2c1 ZINC000477670124 1031771802 /nfs/dbraw/zinc/77/18/02/1031771802.db2.gz BDWUYKJYDAYAGU-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000179816006 1031811835 /nfs/dbraw/zinc/81/18/35/1031811835.db2.gz HLKSPXCCRJUMOX-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000179816006 1031811849 /nfs/dbraw/zinc/81/18/49/1031811849.db2.gz HLKSPXCCRJUMOX-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000528142846 1031830214 /nfs/dbraw/zinc/83/02/14/1031830214.db2.gz YHMNDYWNGYCNLY-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000528142846 1031830225 /nfs/dbraw/zinc/83/02/25/1031830225.db2.gz YHMNDYWNGYCNLY-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000448909278 1031848315 /nfs/dbraw/zinc/84/83/15/1031848315.db2.gz IJXHZFXCZBHXDN-RTBURBONSA-N 1 2 337.467 3.974 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2COC3(CCC3)C2)c1 ZINC000892372075 1031848384 /nfs/dbraw/zinc/84/83/84/1031848384.db2.gz ANRHPQYBOYHEHW-QGZVFWFLSA-N 1 2 343.496 3.899 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2COC3(CCC3)C2)c1 ZINC000892372075 1031848403 /nfs/dbraw/zinc/84/84/03/1031848403.db2.gz ANRHPQYBOYHEHW-QGZVFWFLSA-N 1 2 343.496 3.899 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000584160043 1031853979 /nfs/dbraw/zinc/85/39/79/1031853979.db2.gz FNDWLTYCWOAOBI-CQSZACIVSA-N 1 2 339.464 3.785 20 0 EHADLO COc1cc(C)c(NC(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000278664628 1031899442 /nfs/dbraw/zinc/89/94/42/1031899442.db2.gz OGNRXMIEYFRUGP-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180713515 1031900896 /nfs/dbraw/zinc/90/08/96/1031900896.db2.gz DGNOYLAFVKNTHR-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180713515 1031900904 /nfs/dbraw/zinc/90/09/04/1031900904.db2.gz DGNOYLAFVKNTHR-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1cc(-c2nc(-c3ccc(N)[nH+]c3C)no2)nn1C1CCCCC1 ZINC000904260652 1031904970 /nfs/dbraw/zinc/90/49/70/1031904970.db2.gz RVCUVJPTEHZONG-UHFFFAOYSA-N 1 2 338.415 3.699 20 0 EHADLO Cc1nc(CC(C)C)c(-c2nc(-c3ccc(N)[nH+]c3C)no2)s1 ZINC000904260954 1031905628 /nfs/dbraw/zinc/90/56/28/1031905628.db2.gz VEHOFWBNBPFYLV-UHFFFAOYSA-N 1 2 329.429 3.653 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)CCc2ccccc2F)n1 ZINC000904261125 1031906082 /nfs/dbraw/zinc/90/60/82/1031906082.db2.gz WJCCQGFOIFDTOS-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1sccc1C ZINC000460655202 1031938085 /nfs/dbraw/zinc/93/80/85/1031938085.db2.gz KUSWUKOGWAYQOP-UHFFFAOYSA-N 1 2 329.469 3.867 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc(F)c1 ZINC000460675453 1031952140 /nfs/dbraw/zinc/95/21/40/1031952140.db2.gz KAGTYKFWJAJHSQ-UHFFFAOYSA-N 1 2 327.403 3.636 20 0 EHADLO O=C(NCc1ccccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278678080 1031955945 /nfs/dbraw/zinc/95/59/45/1031955945.db2.gz RJQWKMQIFRJKEP-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO COc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c21 ZINC000181220545 1031957835 /nfs/dbraw/zinc/95/78/35/1031957835.db2.gz ZYBDHWBDKSUDTG-UHFFFAOYSA-N 1 2 346.390 3.748 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(O)cc2F)cc1 ZINC000181254590 1031963012 /nfs/dbraw/zinc/96/30/12/1031963012.db2.gz WMANIVLCFMIPKW-LBPRGKRZSA-N 1 2 339.370 3.516 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000537851518 1031978224 /nfs/dbraw/zinc/97/82/24/1031978224.db2.gz MYYXYTNFGNYWJZ-MRXNPFEDSA-N 1 2 338.842 3.910 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000537851518 1031978235 /nfs/dbraw/zinc/97/82/35/1031978235.db2.gz MYYXYTNFGNYWJZ-MRXNPFEDSA-N 1 2 338.842 3.910 20 0 EHADLO CC[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCC(C)CC1 ZINC000347492454 1031996852 /nfs/dbraw/zinc/99/68/52/1031996852.db2.gz VLKIDZABRPNFBH-ZGUYJTEBSA-N 1 2 331.504 3.979 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1cc(CO)on1)c1ccccc1OC(F)F ZINC000924647746 1032009470 /nfs/dbraw/zinc/00/94/70/1032009470.db2.gz RNQFCGZVAMNDSF-ZWNOBZJWSA-N 1 2 326.343 3.570 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000449013218 1032021164 /nfs/dbraw/zinc/02/11/64/1032021164.db2.gz BMSWFQOCYJUOMM-CABCVRRESA-N 1 2 336.407 3.842 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000449013218 1032021176 /nfs/dbraw/zinc/02/11/76/1032021176.db2.gz BMSWFQOCYJUOMM-CABCVRRESA-N 1 2 336.407 3.842 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncnc2c3ccccc3oc21 ZINC000369343828 1032026698 /nfs/dbraw/zinc/02/66/98/1032026698.db2.gz NFFWHDKDTMQXKA-UHFFFAOYSA-N 1 2 333.395 3.545 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000449016105 1032027766 /nfs/dbraw/zinc/02/77/66/1032027766.db2.gz MRSXRLSFDGHURT-QZTJIDSGSA-N 1 2 328.481 3.682 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000449016105 1032027777 /nfs/dbraw/zinc/02/77/77/1032027777.db2.gz MRSXRLSFDGHURT-QZTJIDSGSA-N 1 2 328.481 3.682 20 0 EHADLO CCN(C(C)=O)c1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cn1 ZINC000904435654 1032037130 /nfs/dbraw/zinc/03/71/30/1032037130.db2.gz CUPDHTAXOCTUKW-UHFFFAOYSA-N 1 2 338.455 3.649 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@H]1CCn2c[nH+]cc2C1 ZINC000343712874 1032039971 /nfs/dbraw/zinc/03/99/71/1032039971.db2.gz LOGXEBOAQLTJLH-KRWDZBQOSA-N 1 2 349.409 3.568 20 0 EHADLO Cc1cccc([C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C(C)C)c1 ZINC000528289307 1032043757 /nfs/dbraw/zinc/04/37/57/1032043757.db2.gz NOXPTQGOPMHAFQ-QZTJIDSGSA-N 1 2 340.471 3.625 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000584277981 1032043875 /nfs/dbraw/zinc/04/38/75/1032043875.db2.gz HGNYWDLZKBNTME-BLVKFPJESA-N 1 2 338.842 3.721 20 0 EHADLO CCCOc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000536655932 1032045110 /nfs/dbraw/zinc/04/51/10/1032045110.db2.gz GLMKLGQQFBNRST-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000459406086 1032051173 /nfs/dbraw/zinc/05/11/73/1032051173.db2.gz UBSYRYDKWJAMGV-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000459406086 1032051189 /nfs/dbraw/zinc/05/11/89/1032051189.db2.gz UBSYRYDKWJAMGV-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO Cc1cccc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)n1 ZINC000346142780 1033327563 /nfs/dbraw/zinc/32/75/63/1033327563.db2.gz CJKJOVBLMNYRED-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1nnc2n1CCCCC2 ZINC000594386952 1033344529 /nfs/dbraw/zinc/34/45/29/1033344529.db2.gz VJZNENBZOYCBIZ-MRXNPFEDSA-N 1 2 328.460 3.562 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1sc2cccc(F)c2c1Cl ZINC000898098859 1033346360 /nfs/dbraw/zinc/34/63/60/1033346360.db2.gz GDTDVUQBXLDSQL-VIFPVBQESA-N 1 2 349.818 3.635 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187191 1033384832 /nfs/dbraw/zinc/38/48/32/1033384832.db2.gz DVGUJYGOLUUTPC-MOPGFXCFSA-N 1 2 329.415 3.575 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187191 1033384843 /nfs/dbraw/zinc/38/48/43/1033384843.db2.gz DVGUJYGOLUUTPC-MOPGFXCFSA-N 1 2 329.415 3.575 20 0 EHADLO C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000607893371 1033394229 /nfs/dbraw/zinc/39/42/29/1033394229.db2.gz CTOSNNVVJUBRHM-AWEZNQCLSA-N 1 2 328.843 3.576 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2SC(F)(F)F)nn1 ZINC000898279126 1033423828 /nfs/dbraw/zinc/42/38/28/1033423828.db2.gz UPQFODURVGANGR-UHFFFAOYSA-N 1 2 344.406 3.935 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635573554 1033428704 /nfs/dbraw/zinc/42/87/04/1033428704.db2.gz HOPCBVIRCUOVAD-IAGOWNOFSA-N 1 2 325.412 3.863 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635573554 1033428729 /nfs/dbraw/zinc/42/87/29/1033428729.db2.gz HOPCBVIRCUOVAD-IAGOWNOFSA-N 1 2 325.412 3.863 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000063550153 1033449772 /nfs/dbraw/zinc/44/97/72/1033449772.db2.gz MFHOYYXAYCVZSW-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO C[C@@H](CCC(F)(F)F)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594614708 1033480340 /nfs/dbraw/zinc/48/03/40/1033480340.db2.gz JKCBFTMAPCXROC-GXTWGEPZSA-N 1 2 346.393 3.655 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1nsc2ccccc12 ZINC000641794902 1033531280 /nfs/dbraw/zinc/53/12/80/1033531280.db2.gz WNGQYUWHFLCBNO-UHFFFAOYSA-N 1 2 328.437 3.611 20 0 EHADLO Clc1cc(Cl)cc(N2CC[NH+](Cc3cnsc3)CC2)c1 ZINC001232230703 1033571460 /nfs/dbraw/zinc/57/14/60/1033571460.db2.gz SYLGFNBEPVHTNY-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(CNc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000598968388 1033603822 /nfs/dbraw/zinc/60/38/22/1033603822.db2.gz YSEQOGVFIJESQD-UHFFFAOYSA-N 1 2 338.411 3.606 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2c(F)ccc(F)c2Cl)c1 ZINC000598976234 1033623828 /nfs/dbraw/zinc/62/38/28/1033623828.db2.gz AGTBOEAHQQEISW-UHFFFAOYSA-N 1 2 344.814 3.851 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1nc(Cc2ccccc2)no1 ZINC000608372948 1033644361 /nfs/dbraw/zinc/64/43/61/1033644361.db2.gz ONCGSKPAQWULNN-CQSZACIVSA-N 1 2 332.407 3.993 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cccc(-c4ccncc4)c3)CCCC2)no1 ZINC000608383254 1033660702 /nfs/dbraw/zinc/66/07/02/1033660702.db2.gz RDWFGGGTEAEEEL-UHFFFAOYSA-N 1 2 334.423 3.999 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651240 1033681093 /nfs/dbraw/zinc/68/10/93/1033681093.db2.gz SMSZDCIUSPSNRE-RTBURBONSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651240 1033681104 /nfs/dbraw/zinc/68/11/04/1033681104.db2.gz SMSZDCIUSPSNRE-RTBURBONSA-N 1 2 330.859 3.804 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608409714 1033698081 /nfs/dbraw/zinc/69/80/81/1033698081.db2.gz AHFFUXKHROTGQU-KBAYOESNSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cc(C)cc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063790397 1033699500 /nfs/dbraw/zinc/69/95/00/1033699500.db2.gz XAYJSGXJWSUSCW-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO Brc1ccc2[nH]c(C[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000460405444 1033707322 /nfs/dbraw/zinc/70/73/22/1033707322.db2.gz WUUJUJVVNYGGNO-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2[nH]c(C[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000460405444 1033707335 /nfs/dbraw/zinc/70/73/35/1033707335.db2.gz WUUJUJVVNYGGNO-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)s1 ZINC000599068961 1033711193 /nfs/dbraw/zinc/71/11/93/1033711193.db2.gz RGXMDCRVPYCFNW-NHYWBVRUSA-N 1 2 331.441 3.517 20 0 EHADLO CC(C)(C)OC(=O)C1(CNc2[nH+]ccc3ccccc32)CCOCC1 ZINC000599094760 1033732311 /nfs/dbraw/zinc/73/23/11/1033732311.db2.gz MPWSXTPJWWMCKS-UHFFFAOYSA-N 1 2 342.439 3.785 20 0 EHADLO CC(C)COCC[NH+]1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000669687502 1033733511 /nfs/dbraw/zinc/73/35/11/1033733511.db2.gz BVPNZLLSVTXWSK-MRXNPFEDSA-N 1 2 347.528 3.648 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](OC)C2CCCC2)n1 ZINC000595349889 1033736197 /nfs/dbraw/zinc/73/61/97/1033736197.db2.gz FGUMSWPWKNUPBO-TZMCWYRMSA-N 1 2 327.494 3.521 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)C2CCCC2)n1 ZINC000595349889 1033736215 /nfs/dbraw/zinc/73/62/15/1033736215.db2.gz FGUMSWPWKNUPBO-TZMCWYRMSA-N 1 2 327.494 3.521 20 0 EHADLO CSCc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000574955877 1033740815 /nfs/dbraw/zinc/74/08/15/1033740815.db2.gz MZKGLFHRJXTMBG-HZPDHXFCSA-N 1 2 345.468 3.525 20 0 EHADLO CSCc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000574955877 1033740830 /nfs/dbraw/zinc/74/08/30/1033740830.db2.gz MZKGLFHRJXTMBG-HZPDHXFCSA-N 1 2 345.468 3.525 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000158199830 1033770614 /nfs/dbraw/zinc/77/06/14/1033770614.db2.gz RSOOQBFSOQUCKL-PINLSGDHSA-N 1 2 335.275 3.638 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000158199830 1033770628 /nfs/dbraw/zinc/77/06/28/1033770628.db2.gz RSOOQBFSOQUCKL-PINLSGDHSA-N 1 2 335.275 3.638 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)NC2CC2)c2ccc(F)cc2Cl)cc1 ZINC000108352064 1033788197 /nfs/dbraw/zinc/78/81/97/1033788197.db2.gz NYXGOOYLHBYTDQ-IBGZPJMESA-N 1 2 346.833 3.745 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cncc(OC)c1 ZINC000343808641 1033792045 /nfs/dbraw/zinc/79/20/45/1033792045.db2.gz IDXYKUQHXYFILV-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cncc(OC)c1 ZINC000343808641 1033792057 /nfs/dbraw/zinc/79/20/57/1033792057.db2.gz IDXYKUQHXYFILV-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000608656890 1033820362 /nfs/dbraw/zinc/82/03/62/1033820362.db2.gz IXLUOGUESVUMPJ-FQEVSTJZSA-N 1 2 329.488 3.614 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000599281100 1033846867 /nfs/dbraw/zinc/84/68/67/1033846867.db2.gz POXLJSYVHZADEN-UHFFFAOYSA-N 1 2 344.377 3.654 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000608748174 1033859922 /nfs/dbraw/zinc/85/99/22/1033859922.db2.gz JAWNCIIVCMPRAP-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000608748174 1033859938 /nfs/dbraw/zinc/85/99/38/1033859938.db2.gz JAWNCIIVCMPRAP-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)o1 ZINC000575118210 1033863489 /nfs/dbraw/zinc/86/34/89/1033863489.db2.gz CIIXPROILVOYCM-LBPRGKRZSA-N 1 2 346.500 3.908 20 0 EHADLO CN(Cc1ccco1)Cc1cncc(C[N@H+](C)Cc2ccco2)c1 ZINC000575084229 1033871527 /nfs/dbraw/zinc/87/15/27/1033871527.db2.gz JZDMWCQOGFBXEE-UHFFFAOYSA-N 1 2 325.412 3.532 20 0 EHADLO CN(Cc1ccco1)Cc1cncc(C[N@@H+](C)Cc2ccco2)c1 ZINC000575084229 1033871536 /nfs/dbraw/zinc/87/15/36/1033871536.db2.gz JZDMWCQOGFBXEE-UHFFFAOYSA-N 1 2 325.412 3.532 20 0 EHADLO Cc1cc(N2CCN(c3nccc(C)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000460436878 1033891266 /nfs/dbraw/zinc/89/12/66/1033891266.db2.gz LKABYABYXZOSQX-UHFFFAOYSA-N 1 2 345.878 3.592 20 0 EHADLO CCOC(=O)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450207572 1033894863 /nfs/dbraw/zinc/89/48/63/1033894863.db2.gz FVCUZIIYVGPYMT-UHFFFAOYSA-N 1 2 336.794 3.807 20 0 EHADLO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597266 1033913967 /nfs/dbraw/zinc/91/39/67/1033913967.db2.gz WMJJYKSXTSGCAF-CQSZACIVSA-N 1 2 346.475 3.564 20 0 EHADLO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597266 1033913971 /nfs/dbraw/zinc/91/39/71/1033913971.db2.gz WMJJYKSXTSGCAF-CQSZACIVSA-N 1 2 346.475 3.564 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000450220263 1033926465 /nfs/dbraw/zinc/92/64/65/1033926465.db2.gz YJXXZCJFNCLOCH-LJQANCHMSA-N 1 2 329.465 3.817 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000450220263 1033926483 /nfs/dbraw/zinc/92/64/83/1033926483.db2.gz YJXXZCJFNCLOCH-LJQANCHMSA-N 1 2 329.465 3.817 20 0 EHADLO CC(C)n1ccc(C[C@H](C)[NH2+]CC(F)(F)c2cccc(F)c2)n1 ZINC000658116958 1033946498 /nfs/dbraw/zinc/94/64/98/1033946498.db2.gz PGUDKSWQESPVSL-ZDUSSCGKSA-N 1 2 325.378 3.916 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)c2csnn2)CC1 ZINC000450238059 1033960388 /nfs/dbraw/zinc/96/03/88/1033960388.db2.gz TZGNCYIAGHBRCI-OLZOCXBDSA-N 1 2 336.892 3.631 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117657464 1033965133 /nfs/dbraw/zinc/96/51/33/1033965133.db2.gz NPEXYDRGKVGUGS-ZWKOTPCHSA-N 1 2 337.810 3.812 20 0 EHADLO CCCOc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000599516592 1033977557 /nfs/dbraw/zinc/97/75/57/1033977557.db2.gz NHGJWNLGINSZSW-UHFFFAOYSA-N 1 2 326.444 3.868 20 0 EHADLO CCCOc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000599516592 1033977566 /nfs/dbraw/zinc/97/75/66/1033977566.db2.gz NHGJWNLGINSZSW-UHFFFAOYSA-N 1 2 326.444 3.868 20 0 EHADLO O=C([C@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063132 1033982216 /nfs/dbraw/zinc/98/22/16/1033982216.db2.gz FQGBOMVQTSZSDT-OALUTQOASA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063132 1033982225 /nfs/dbraw/zinc/98/22/25/1033982225.db2.gz FQGBOMVQTSZSDT-OALUTQOASA-N 1 2 337.467 3.775 20 0 EHADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883663 1034005079 /nfs/dbraw/zinc/00/50/79/1034005079.db2.gz AEQVTEMZRWPCKU-NSHDSACASA-N 1 2 349.312 3.759 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000612094983 1034009229 /nfs/dbraw/zinc/00/92/29/1034009229.db2.gz BAJSMKFOXHBRRZ-ZIAGYGMSSA-N 1 2 337.345 3.657 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000658158172 1034013214 /nfs/dbraw/zinc/01/32/14/1034013214.db2.gz GTZCHZMNMFLCFK-ZDUSSCGKSA-N 1 2 342.365 3.601 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000892422748 1034018083 /nfs/dbraw/zinc/01/80/83/1034018083.db2.gz GVXLYDBGBQNXBT-UHFFFAOYSA-N 1 2 330.211 3.901 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CC[C@@H]2CCc3ccccc32)CCOCC1 ZINC000595902820 1034025755 /nfs/dbraw/zinc/02/57/55/1034025755.db2.gz SFJYUPVYQROPAP-KRWDZBQOSA-N 1 2 345.483 3.587 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)nn1 ZINC000658176764 1034041477 /nfs/dbraw/zinc/04/14/77/1034041477.db2.gz MWLBFNJILCLHIS-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000074869793 1034056915 /nfs/dbraw/zinc/05/69/15/1034056915.db2.gz LWYPOVRHNSTVOM-RYRKJORJSA-N 1 2 340.471 3.534 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000596064022 1034065980 /nfs/dbraw/zinc/06/59/80/1034065980.db2.gz QTXCQLQUAXERBM-LJQANCHMSA-N 1 2 328.412 3.615 20 0 EHADLO Fc1cc2[nH+]ccc(NCC3CCOCC3)c2cc1Br ZINC000450294319 1034066940 /nfs/dbraw/zinc/06/69/40/1034066940.db2.gz MOKKZPSCXRDJSD-UHFFFAOYSA-N 1 2 339.208 3.975 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(OCCc3ccccc3)CC2)s1 ZINC000450297728 1034072168 /nfs/dbraw/zinc/07/21/68/1034072168.db2.gz JNNZBCPULPIEJA-UHFFFAOYSA-N 1 2 345.512 3.885 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000534050484 1034074044 /nfs/dbraw/zinc/07/40/44/1034074044.db2.gz CGNKFLDFWSOFID-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c1F ZINC000658226941 1034081745 /nfs/dbraw/zinc/08/17/45/1034081745.db2.gz FKAHHZGVBKBVBH-VIFPVBQESA-N 1 2 344.308 3.821 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCC2(Sc3ccccc3)CC2)c1 ZINC000596122923 1034084477 /nfs/dbraw/zinc/08/44/77/1034084477.db2.gz VZBAOWCELCZKPY-UHFFFAOYSA-N 1 2 328.437 3.534 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cc(Cl)nc(C3CC3)n2)c1C ZINC000179287684 1034089772 /nfs/dbraw/zinc/08/97/72/1034089772.db2.gz HFMCMAKKNCMACI-UHFFFAOYSA-N 1 2 332.835 3.664 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000658214654 1034097423 /nfs/dbraw/zinc/09/74/23/1034097423.db2.gz XJUHQIIXJLVAEI-HXUWFJFHSA-N 1 2 336.414 3.711 20 0 EHADLO O=C(Nc1csc2ccccc12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000537612154 1034108550 /nfs/dbraw/zinc/10/85/50/1034108550.db2.gz VGNXNKKQPNTJBS-CYBMUJFWSA-N 1 2 326.425 3.794 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000119209034 1034112772 /nfs/dbraw/zinc/11/27/72/1034112772.db2.gz CDWJUELXHKOCBF-AWEZNQCLSA-N 1 2 348.491 3.563 20 0 EHADLO COc1ccccc1/C(C)=C\C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255674546 1034112813 /nfs/dbraw/zinc/11/28/13/1034112813.db2.gz LBMLKUIJVNNUGS-SSZFMOIBSA-N 1 2 347.418 3.601 20 0 EHADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000596222455 1034125092 /nfs/dbraw/zinc/12/50/92/1034125092.db2.gz MKIIQZFYUMODKG-AWEZNQCLSA-N 1 2 331.460 3.829 20 0 EHADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000596222455 1034125099 /nfs/dbraw/zinc/12/50/99/1034125099.db2.gz MKIIQZFYUMODKG-AWEZNQCLSA-N 1 2 331.460 3.829 20 0 EHADLO Fc1ccc([C@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2cn[nH]n2)cc1 ZINC000658265723 1034129286 /nfs/dbraw/zinc/12/92/86/1034129286.db2.gz OBQMRCMYERYCDW-SIWZUTFBSA-N 1 2 336.361 3.591 20 0 EHADLO Fc1ccc([C@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2c[nH]nn2)cc1 ZINC000658265723 1034129291 /nfs/dbraw/zinc/12/92/91/1034129291.db2.gz OBQMRCMYERYCDW-SIWZUTFBSA-N 1 2 336.361 3.591 20 0 EHADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529524725 1034134763 /nfs/dbraw/zinc/13/47/63/1034134763.db2.gz HIUGDBSIEGWDKN-UHFFFAOYSA-N 1 2 344.833 3.697 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(F)cc1OC ZINC000529524982 1034135235 /nfs/dbraw/zinc/13/52/35/1034135235.db2.gz MYJXDZUKVMMGMO-OAHLLOKOSA-N 1 2 334.391 3.867 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c(F)cc1OC ZINC000529524982 1034135246 /nfs/dbraw/zinc/13/52/46/1034135246.db2.gz MYJXDZUKVMMGMO-OAHLLOKOSA-N 1 2 334.391 3.867 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc(-c4n[nH]c(C5CC5)n4)c3)n2c1 ZINC000119394704 1034140887 /nfs/dbraw/zinc/14/08/87/1034140887.db2.gz NPMOWGSNRVEBMD-UHFFFAOYSA-N 1 2 344.422 3.917 20 0 EHADLO C[N@H+](CCc1ccncc1)Cc1ncc(Cl)cc1Br ZINC000529543435 1034149300 /nfs/dbraw/zinc/14/93/00/1034149300.db2.gz UFBWTTZETHBYDP-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[N@@H+](CCc1ccncc1)Cc1ncc(Cl)cc1Br ZINC000529543435 1034149311 /nfs/dbraw/zinc/14/93/11/1034149311.db2.gz UFBWTTZETHBYDP-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000450348572 1034157648 /nfs/dbraw/zinc/15/76/48/1034157648.db2.gz SAHRXKYTADAHHE-UAOJZALGSA-N 1 2 347.405 3.503 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000450348572 1034157653 /nfs/dbraw/zinc/15/76/53/1034157653.db2.gz SAHRXKYTADAHHE-UAOJZALGSA-N 1 2 347.405 3.503 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000119463090 1034163652 /nfs/dbraw/zinc/16/36/52/1034163652.db2.gz YGPHYRGRLPXNLO-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000119463090 1034163659 /nfs/dbraw/zinc/16/36/59/1034163659.db2.gz YGPHYRGRLPXNLO-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COC[C@H](CC1CCOCC1)[NH2+]CC(F)(F)c1ccccc1C ZINC000658315412 1034192207 /nfs/dbraw/zinc/19/22/07/1034192207.db2.gz UBRVUBGWTKSSDA-INIZCTEOSA-N 1 2 327.415 3.508 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421798140 1034216786 /nfs/dbraw/zinc/21/67/86/1034216786.db2.gz XTDDKULVNGDAHR-KCXAZCMYSA-N 1 2 336.838 3.531 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000421798140 1034216793 /nfs/dbraw/zinc/21/67/93/1034216793.db2.gz XTDDKULVNGDAHR-KCXAZCMYSA-N 1 2 336.838 3.531 20 0 EHADLO CC[NH+](CC)[C@@H](CNCc1nnc(C)s1)c1ccccc1Cl ZINC000892435172 1034247903 /nfs/dbraw/zinc/24/79/03/1034247903.db2.gz NCHGZAKGXWYBFY-HNNXBMFYSA-N 1 2 338.908 3.673 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(CC2(CSC)CC2)no1)c1ccccc1 ZINC000596607948 1034317546 /nfs/dbraw/zinc/31/75/46/1034317546.db2.gz GXMHLNYTCDJMRI-INIZCTEOSA-N 1 2 331.485 3.796 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(CC2(CSC)CC2)no1)c1ccccc1 ZINC000596607948 1034317562 /nfs/dbraw/zinc/31/75/62/1034317562.db2.gz GXMHLNYTCDJMRI-INIZCTEOSA-N 1 2 331.485 3.796 20 0 EHADLO Cc1cc(CNC(=O)NCC(F)(F)c2ccccc2C)cc(C)[nH+]1 ZINC000661335248 1034329195 /nfs/dbraw/zinc/32/91/95/1034329195.db2.gz YQHGOFWNYZIHOR-UHFFFAOYSA-N 1 2 333.382 3.598 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](c4ccco4)C3)c2cc1C ZINC000121066504 1034369976 /nfs/dbraw/zinc/36/99/76/1034369976.db2.gz ZHTGDBYXQLQARF-LJQANCHMSA-N 1 2 339.391 3.576 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](c4ccco4)C3)c2cc1C ZINC000121066504 1034369985 /nfs/dbraw/zinc/36/99/85/1034369985.db2.gz ZHTGDBYXQLQARF-LJQANCHMSA-N 1 2 339.391 3.576 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456381912 1034375574 /nfs/dbraw/zinc/37/55/74/1034375574.db2.gz ONZKBQYUUCAEIQ-MAUKXSAKSA-N 1 2 343.858 3.853 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2cccc3ccccc32)CC1 ZINC000604502370 1034402934 /nfs/dbraw/zinc/40/29/34/1034402934.db2.gz ZOPITKVKEKLAEX-MRXNPFEDSA-N 1 2 342.508 3.626 20 0 EHADLO C[C@@H](O)CCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450484864 1034408943 /nfs/dbraw/zinc/40/89/43/1034408943.db2.gz NKVAOSPZLRYSII-SECBINFHSA-N 1 2 327.197 3.709 20 0 EHADLO CC(C)CC[N@H+](Cn1ncn(CCc2ccccn2)c1=S)C1CC1 ZINC000171558782 1034455922 /nfs/dbraw/zinc/45/59/22/1034455922.db2.gz APTDPGQXYNNWAE-UHFFFAOYSA-N 1 2 345.516 3.520 20 0 EHADLO CC(C)CC[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)C1CC1 ZINC000171558782 1034455941 /nfs/dbraw/zinc/45/59/41/1034455941.db2.gz APTDPGQXYNNWAE-UHFFFAOYSA-N 1 2 345.516 3.520 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)s1 ZINC000121151265 1034476372 /nfs/dbraw/zinc/47/63/72/1034476372.db2.gz QOGJGAOQCFUIFH-WCQYABFASA-N 1 2 336.844 3.580 20 0 EHADLO CCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381996 1034478999 /nfs/dbraw/zinc/47/89/99/1034478999.db2.gz LWMPSCUNWCNECI-GJZGRUSLSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381996 1034479007 /nfs/dbraw/zinc/47/90/07/1034479007.db2.gz LWMPSCUNWCNECI-GJZGRUSLSA-N 1 2 341.858 3.712 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000604813348 1034514130 /nfs/dbraw/zinc/51/41/30/1034514130.db2.gz AXCDRFZLGJRMEP-LJQANCHMSA-N 1 2 343.515 3.860 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)cc1F ZINC000061783749 1034515759 /nfs/dbraw/zinc/51/57/59/1034515759.db2.gz SQISJBURGSGGAN-OAHLLOKOSA-N 1 2 338.467 3.597 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C)cc1F ZINC000061783749 1034515768 /nfs/dbraw/zinc/51/57/68/1034515768.db2.gz SQISJBURGSGGAN-OAHLLOKOSA-N 1 2 338.467 3.597 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1C ZINC000597051854 1034524196 /nfs/dbraw/zinc/52/41/96/1034524196.db2.gz MVRNYRYQDACEQN-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO Cc1c(F)c(C(F)(F)F)ccc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000584317258 1034524628 /nfs/dbraw/zinc/52/46/28/1034524628.db2.gz FSRSHXLETNMLIC-UHFFFAOYSA-N 1 2 340.280 3.527 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC=C(C)CC2)c(C)c1 ZINC000534442052 1034545770 /nfs/dbraw/zinc/54/57/70/1034545770.db2.gz VLQKNXPNPBIHQR-IBGZPJMESA-N 1 2 338.455 3.603 20 0 EHADLO Cc1ccnc([C@@H](C)[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000375802476 1034558757 /nfs/dbraw/zinc/55/87/57/1034558757.db2.gz UICIOMOWXQBXSK-PBHICJAKSA-N 1 2 337.427 3.883 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999606 1034583958 /nfs/dbraw/zinc/58/39/58/1034583958.db2.gz BVQKVFOYTIVTTI-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000604999606 1034583971 /nfs/dbraw/zinc/58/39/71/1034583971.db2.gz BVQKVFOYTIVTTI-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO OC[C@@H](CC(F)(F)F)Nc1cc[nH+]c2c(Br)cccc12 ZINC000534500650 1034609940 /nfs/dbraw/zinc/60/99/40/1034609940.db2.gz UGADOVBIRJRAIE-MRVPVSSYSA-N 1 2 349.150 3.723 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000121268591 1034616018 /nfs/dbraw/zinc/61/60/18/1034616018.db2.gz VLTAWJMGZWZTOX-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000121268591 1034616030 /nfs/dbraw/zinc/61/60/30/1034616030.db2.gz VLTAWJMGZWZTOX-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628241426 1034620484 /nfs/dbraw/zinc/62/04/84/1034620484.db2.gz VMOQLAANICBJMP-XHDPSFHLSA-N 1 2 342.340 3.569 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628241426 1034620488 /nfs/dbraw/zinc/62/04/88/1034620488.db2.gz VMOQLAANICBJMP-XHDPSFHLSA-N 1 2 342.340 3.569 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000605154805 1034651264 /nfs/dbraw/zinc/65/12/64/1034651264.db2.gz BATQJUGKUQCCFP-QGZVFWFLSA-N 1 2 348.418 3.693 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000605154805 1034651267 /nfs/dbraw/zinc/65/12/67/1034651267.db2.gz BATQJUGKUQCCFP-QGZVFWFLSA-N 1 2 348.418 3.693 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)[C@H](O)c1c(Cl)cccc1Cl ZINC000375842014 1034696857 /nfs/dbraw/zinc/69/68/57/1034696857.db2.gz UJJOEJAJDOTLCB-LUFJJVMOSA-N 1 2 340.254 3.806 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)n1 ZINC000450722440 1034708354 /nfs/dbraw/zinc/70/83/54/1034708354.db2.gz BRDGNBPULMCICZ-NSHDSACASA-N 1 2 330.409 3.835 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000375851760 1034721551 /nfs/dbraw/zinc/72/15/51/1034721551.db2.gz MJHBEEBHHZMGOO-AWEZNQCLSA-N 1 2 332.423 3.605 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000375851760 1034721566 /nfs/dbraw/zinc/72/15/66/1034721566.db2.gz MJHBEEBHHZMGOO-AWEZNQCLSA-N 1 2 332.423 3.605 20 0 EHADLO S=C1SCCN1C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177166281 1034738495 /nfs/dbraw/zinc/73/84/95/1034738495.db2.gz VSDWCYQYSGXKCO-UHFFFAOYSA-N 1 2 330.478 3.596 20 0 EHADLO S=C1SCCN1C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177166281 1034738509 /nfs/dbraw/zinc/73/85/09/1034738509.db2.gz VSDWCYQYSGXKCO-UHFFFAOYSA-N 1 2 330.478 3.596 20 0 EHADLO COc1cc(CCC(=O)NCc2c[nH+]c(C)cc2C)ccc1Cl ZINC000456843374 1034763982 /nfs/dbraw/zinc/76/39/82/1034763982.db2.gz QIAVLWNZACUGFY-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO Cc1cc(C)c(CNC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456829474 1034773944 /nfs/dbraw/zinc/77/39/44/1034773944.db2.gz CDJNUDDPRVFILU-ZDUSSCGKSA-N 1 2 344.842 3.877 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)c[nH+]1 ZINC000456835655 1034781104 /nfs/dbraw/zinc/78/11/04/1034781104.db2.gz JFJQZVXXKXXZIS-CVEARBPZSA-N 1 2 346.377 3.720 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1OCc1ccncc1 ZINC000584474837 1034801586 /nfs/dbraw/zinc/80/15/86/1034801586.db2.gz JGDFTEPQHPYMHH-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1OCc1ccncc1 ZINC000584474837 1034801595 /nfs/dbraw/zinc/80/15/95/1034801595.db2.gz JGDFTEPQHPYMHH-KRWDZBQOSA-N 1 2 330.403 3.603 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2coc3cc4c(cc23)CCC4)c[nH+]1 ZINC000456868643 1034801632 /nfs/dbraw/zinc/80/16/32/1034801632.db2.gz XGXNSAMECHKOGZ-UHFFFAOYSA-N 1 2 334.419 3.792 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C)n1cc[nH+]c1 ZINC000529943874 1034805237 /nfs/dbraw/zinc/80/52/37/1034805237.db2.gz TURVKLFDGLBUIF-WMLDXEAASA-N 1 2 329.419 3.768 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)CSc2ccc(F)cc2)c[nH+]1 ZINC000456852675 1034809475 /nfs/dbraw/zinc/80/94/75/1034809475.db2.gz XDYHIFPXIMKCAE-CYBMUJFWSA-N 1 2 332.444 3.882 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)c[nH+]1 ZINC000456854141 1034811838 /nfs/dbraw/zinc/81/18/38/1034811838.db2.gz YSIKIWZNRDLJOT-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1noc2nc(C(C)C)cc(C(=O)NCc3c[nH+]c(C)cc3C)c12 ZINC000456856533 1034812945 /nfs/dbraw/zinc/81/29/45/1034812945.db2.gz JLODKPCUWBFORJ-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cs1 ZINC000605707907 1034820755 /nfs/dbraw/zinc/82/07/55/1034820755.db2.gz QYICRKOMDRBJHT-HIFRSBDPSA-N 1 2 346.500 3.719 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)cs1 ZINC000605707907 1034820770 /nfs/dbraw/zinc/82/07/70/1034820770.db2.gz QYICRKOMDRBJHT-HIFRSBDPSA-N 1 2 346.500 3.719 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121334663 1034833592 /nfs/dbraw/zinc/83/35/92/1034833592.db2.gz KANWTFIEDZTVQQ-MRXNPFEDSA-N 1 2 342.464 3.876 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939029 1034902994 /nfs/dbraw/zinc/90/29/94/1034902994.db2.gz HDQMRKSQFKRRIK-YMTOWFKASA-N 1 2 338.238 3.699 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939029 1034903003 /nfs/dbraw/zinc/90/30/03/1034903003.db2.gz HDQMRKSQFKRRIK-YMTOWFKASA-N 1 2 338.238 3.699 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885269 1034913238 /nfs/dbraw/zinc/91/32/38/1034913238.db2.gz AWCDYPWLTRTRNE-YOEHRIQHSA-N 1 2 337.389 3.899 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885269 1034913244 /nfs/dbraw/zinc/91/32/44/1034913244.db2.gz AWCDYPWLTRTRNE-YOEHRIQHSA-N 1 2 337.389 3.899 20 0 EHADLO O[C@H]([C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1)C(F)(F)F ZINC000450886134 1034915317 /nfs/dbraw/zinc/91/53/17/1034915317.db2.gz VVWVQRYKUVBGEH-XLKFXECMSA-N 1 2 348.727 3.777 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450933776 1034948632 /nfs/dbraw/zinc/94/86/32/1034948632.db2.gz VJZDWJUOUMIKBX-UHFFFAOYSA-N 1 2 341.430 3.598 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000375933989 1034951519 /nfs/dbraw/zinc/95/15/19/1034951519.db2.gz QKNMYLFHCSPQNH-CYBMUJFWSA-N 1 2 330.457 3.554 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000375948797 1034993567 /nfs/dbraw/zinc/99/35/67/1034993567.db2.gz QCBCRLWASQXRCO-AWEZNQCLSA-N 1 2 345.874 3.757 20 0 EHADLO O=C1[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CCN1C1CCCCC1 ZINC000530124422 1034995633 /nfs/dbraw/zinc/99/56/33/1034995633.db2.gz LOEIHAZGCNUEJV-UYAOXDASSA-N 1 2 338.451 3.892 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000413785241 1035017940 /nfs/dbraw/zinc/01/79/40/1035017940.db2.gz QMODHQQBPDUTDW-PKOBYXMFSA-N 1 2 329.488 3.551 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)s1 ZINC000451039020 1035038957 /nfs/dbraw/zinc/03/89/57/1035038957.db2.gz BTRDCGLHUPGAPT-GOSISDBHSA-N 1 2 329.469 3.631 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)s1 ZINC000451039020 1035038963 /nfs/dbraw/zinc/03/89/63/1035038963.db2.gz BTRDCGLHUPGAPT-GOSISDBHSA-N 1 2 329.469 3.631 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cnc3c(cnn3C(C)C)c2)cn1 ZINC000570150813 1035084062 /nfs/dbraw/zinc/08/40/62/1035084062.db2.gz FPBZIEGMIZHBDH-UHFFFAOYSA-N 1 2 338.459 3.558 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cnc3c(cnn3C(C)C)c2)cn1 ZINC000570150813 1035084068 /nfs/dbraw/zinc/08/40/68/1035084068.db2.gz FPBZIEGMIZHBDH-UHFFFAOYSA-N 1 2 338.459 3.558 20 0 EHADLO COc1cc(C)nc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000278800047 1035120181 /nfs/dbraw/zinc/12/01/81/1035120181.db2.gz OQIIYWHDNXRZED-UHFFFAOYSA-N 1 2 346.858 3.536 20 0 EHADLO CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376069000 1035215334 /nfs/dbraw/zinc/21/53/34/1035215334.db2.gz PDPYVAACNQPTRT-QGZVFWFLSA-N 1 2 339.483 3.729 20 0 EHADLO CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376069000 1035215341 /nfs/dbraw/zinc/21/53/41/1035215341.db2.gz PDPYVAACNQPTRT-QGZVFWFLSA-N 1 2 339.483 3.729 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+](Cc3ccccc3)C(C)C)c2=S)n1 ZINC000023382509 1035269650 /nfs/dbraw/zinc/26/96/50/1035269650.db2.gz MMBMIBQXXVAGLB-UHFFFAOYSA-N 1 2 341.484 3.745 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+](Cc3ccccc3)C(C)C)c2=S)n1 ZINC000023382509 1035269657 /nfs/dbraw/zinc/26/96/57/1035269657.db2.gz MMBMIBQXXVAGLB-UHFFFAOYSA-N 1 2 341.484 3.745 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000431735619 1035396220 /nfs/dbraw/zinc/39/62/20/1035396220.db2.gz KAGZFDBUWNEPOY-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000431735619 1035396225 /nfs/dbraw/zinc/39/62/25/1035396225.db2.gz KAGZFDBUWNEPOY-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)s1 ZINC000414063713 1035426850 /nfs/dbraw/zinc/42/68/50/1035426850.db2.gz DEUPQSMXUATLHG-TVQRCGJNSA-N 1 2 336.844 3.921 20 0 EHADLO CCCSC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000892528356 1035428577 /nfs/dbraw/zinc/42/85/77/1035428577.db2.gz VDBLZWYLMRUWBD-WMLDXEAASA-N 1 2 333.501 3.639 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCOC(C)(C)C1 ZINC000545291779 1035437519 /nfs/dbraw/zinc/43/75/19/1035437519.db2.gz RNEFDHMLVGRNLB-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCOC(C)(C)C1 ZINC000545291779 1035437521 /nfs/dbraw/zinc/43/75/21/1035437521.db2.gz RNEFDHMLVGRNLB-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO CC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc2C1 ZINC000613190471 1035446870 /nfs/dbraw/zinc/44/68/70/1035446870.db2.gz NBZGEHAUDOCAQC-LJQANCHMSA-N 1 2 345.446 3.605 20 0 EHADLO Cc1cc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)o1 ZINC000431774736 1035466640 /nfs/dbraw/zinc/46/66/40/1035466640.db2.gz ZQWSZELJETVDTB-HNNXBMFYSA-N 1 2 337.423 3.561 20 0 EHADLO CN(C)c1nn(C[NH+]2CCC(Cc3ccccc3)CC2)c(=S)s1 ZINC000066447236 1035475236 /nfs/dbraw/zinc/47/52/36/1035475236.db2.gz PGCNNTWABNNPBV-UHFFFAOYSA-N 1 2 348.541 3.652 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456883640 1035498586 /nfs/dbraw/zinc/49/85/86/1035498586.db2.gz WUPSRDDJELIXTK-WBVHZDCISA-N 1 2 345.874 3.849 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456883635 1035499560 /nfs/dbraw/zinc/49/95/60/1035499560.db2.gz WUPSRDDJELIXTK-NVXWUHKLSA-N 1 2 345.874 3.849 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456890272 1035502856 /nfs/dbraw/zinc/50/28/56/1035502856.db2.gz ZYLCBODIVXGSLU-NVXWUHKLSA-N 1 2 331.847 3.769 20 0 EHADLO O=C(CCCn1cnc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000613306059 1035530364 /nfs/dbraw/zinc/53/03/64/1035530364.db2.gz ISSRHMFKTHLZES-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO CNc1ccc(Nc2ncc(Br)cc2OC(F)F)c[nH+]1 ZINC001203449980 1035545285 /nfs/dbraw/zinc/54/52/85/1035545285.db2.gz QBFJJOCZAZCSEV-UHFFFAOYSA-N 1 2 345.147 3.626 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675008 1035568218 /nfs/dbraw/zinc/56/82/18/1035568218.db2.gz GPLGCNONYBOKCY-FUHWJXTLSA-N 1 2 344.503 3.792 20 0 EHADLO CCn1nccc1C[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926739564 1035571959 /nfs/dbraw/zinc/57/19/59/1035571959.db2.gz VDDBMEQPRRPVPQ-VIFPVBQESA-N 1 2 332.757 3.821 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1csc(-c2ccccc2)n1 ZINC000414114416 1035581477 /nfs/dbraw/zinc/58/14/77/1035581477.db2.gz ZHFKHKUWAHLSDE-ZDUSSCGKSA-N 1 2 339.468 3.517 20 0 EHADLO Cc1c(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cnn1CC(C)C ZINC000492291793 1035585317 /nfs/dbraw/zinc/58/53/17/1035585317.db2.gz BHLUSECSKOWICG-RMKNXTFCSA-N 1 2 349.438 3.685 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186188443 1035596785 /nfs/dbraw/zinc/59/67/85/1035596785.db2.gz BINXJFJZOBTQHI-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186188443 1035596797 /nfs/dbraw/zinc/59/67/97/1035596797.db2.gz BINXJFJZOBTQHI-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccsc2C1 ZINC000492308804 1035617181 /nfs/dbraw/zinc/61/71/81/1035617181.db2.gz ABTUGOKAFYBCQM-UTCJRWHESA-N 1 2 335.432 3.532 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC000457003325 1035633100 /nfs/dbraw/zinc/63/31/00/1035633100.db2.gz NMOMHAPEJXUTMB-AOIWGVFYSA-N 1 2 339.483 3.805 20 0 EHADLO c1ccc(C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)c2cccnc2)nc1 ZINC000540758977 1035651993 /nfs/dbraw/zinc/65/19/93/1035651993.db2.gz QFKQZVVJMOFYNR-FQEVSTJZSA-N 1 2 345.450 3.868 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000666163804 1035693722 /nfs/dbraw/zinc/69/37/22/1035693722.db2.gz SJHAZUJEWVPCOH-QAPCUYQASA-N 1 2 344.434 3.766 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000457090596 1035709770 /nfs/dbraw/zinc/70/97/70/1035709770.db2.gz SMGPBAOHZDDXID-SFHVURJKSA-N 1 2 339.483 3.759 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)[C@H](c2ccco2)C1 ZINC000173955452 1035727400 /nfs/dbraw/zinc/72/74/00/1035727400.db2.gz CQRLDOWIEQBUOY-HOTGVXAUSA-N 1 2 342.443 3.659 20 0 EHADLO Cc1ccsc1CNC(=O)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000540845836 1035729861 /nfs/dbraw/zinc/72/98/61/1035729861.db2.gz MOBPSABHXSAARQ-UHFFFAOYSA-N 1 2 340.448 3.917 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2coc(-c3cccs3)n2)c(C)[nH+]1 ZINC000187139941 1035769335 /nfs/dbraw/zinc/76/93/35/1035769335.db2.gz ITZAPHXNHXWEFS-JOCHJYFZSA-N 1 2 332.450 3.864 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000054388717 1035776225 /nfs/dbraw/zinc/77/62/25/1035776225.db2.gz NVHDGAZUKKIHBE-KRWDZBQOSA-N 1 2 336.464 3.975 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000054388717 1035776245 /nfs/dbraw/zinc/77/62/45/1035776245.db2.gz NVHDGAZUKKIHBE-KRWDZBQOSA-N 1 2 336.464 3.975 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2cc(-c3ccccc3)on2)c(C)[nH+]1 ZINC000187157770 1035776566 /nfs/dbraw/zinc/77/65/66/1035776566.db2.gz KLOBZFGKEFXTBS-HSZRJFAPSA-N 1 2 326.421 3.802 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187228112 1035777622 /nfs/dbraw/zinc/77/76/22/1035777622.db2.gz RWGUINXYKDITOJ-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2nnc(-c3ccccc3)s2)c(C)[nH+]1 ZINC000187180206 1035779573 /nfs/dbraw/zinc/77/95/73/1035779573.db2.gz QIIIQMUBFAGRIA-HSZRJFAPSA-N 1 2 343.477 3.666 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)s1 ZINC000053125313 1035785958 /nfs/dbraw/zinc/78/59/58/1035785958.db2.gz IPNROSKOOWZFFF-CYBMUJFWSA-N 1 2 334.460 3.759 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)s1 ZINC000053125313 1035785978 /nfs/dbraw/zinc/78/59/78/1035785978.db2.gz IPNROSKOOWZFFF-CYBMUJFWSA-N 1 2 334.460 3.759 20 0 EHADLO CC[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000463755429 1035795255 /nfs/dbraw/zinc/79/52/55/1035795255.db2.gz SQBVBPROMKAREH-FUHWJXTLSA-N 1 2 348.487 3.651 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccc(F)cc1 ZINC000588177499 1035802707 /nfs/dbraw/zinc/80/27/07/1035802707.db2.gz YWKNEINBNWZUFH-FQEVSTJZSA-N 1 2 349.409 3.714 20 0 EHADLO CCc1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000534933334 1035807051 /nfs/dbraw/zinc/80/70/51/1035807051.db2.gz XGNJOKBXRJOMAY-UHFFFAOYSA-N 1 2 348.537 3.938 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC4(CCCCC4)CC3)[nH+]c12 ZINC000588228908 1035829711 /nfs/dbraw/zinc/82/97/11/1035829711.db2.gz NIEMHBZSWSHXLU-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000613432870 1035864426 /nfs/dbraw/zinc/86/44/26/1035864426.db2.gz LDRBHJBRUVDSDG-UHFFFAOYSA-N 1 2 328.481 3.680 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000613432870 1035864448 /nfs/dbraw/zinc/86/44/48/1035864448.db2.gz LDRBHJBRUVDSDG-UHFFFAOYSA-N 1 2 328.481 3.680 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000738227455 1035927160 /nfs/dbraw/zinc/92/71/60/1035927160.db2.gz UXVQEMVNGYZFRX-GFCCVEGCSA-N 1 2 337.880 3.674 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000738227455 1035927173 /nfs/dbraw/zinc/92/71/73/1035927173.db2.gz UXVQEMVNGYZFRX-GFCCVEGCSA-N 1 2 337.880 3.674 20 0 EHADLO COc1cc(CN(C)C(=O)Nc2cc(C)[nH+]cc2C)ccc1SC ZINC000535060198 1035941976 /nfs/dbraw/zinc/94/19/76/1035941976.db2.gz RKZIQPFDUZQAAE-UHFFFAOYSA-N 1 2 345.468 3.515 20 0 EHADLO CC[N@@H+](Cc1ccnc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000535062952 1035946032 /nfs/dbraw/zinc/94/60/32/1035946032.db2.gz AUCHRORJMMBCIV-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO CC[N@H+](Cc1ccnc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000535062952 1035946049 /nfs/dbraw/zinc/94/60/49/1035946049.db2.gz AUCHRORJMMBCIV-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000535064101 1035947790 /nfs/dbraw/zinc/94/77/90/1035947790.db2.gz HLFHKDLDYUROIV-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO C[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccs1 ZINC000188751269 1035962096 /nfs/dbraw/zinc/96/20/96/1035962096.db2.gz KLINFWOHKHSUAC-ZDUSSCGKSA-N 1 2 348.899 3.680 20 0 EHADLO C[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccs1 ZINC000188751269 1035962118 /nfs/dbraw/zinc/96/21/18/1035962118.db2.gz KLINFWOHKHSUAC-ZDUSSCGKSA-N 1 2 348.899 3.680 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000572132891 1036011249 /nfs/dbraw/zinc/01/12/49/1036011249.db2.gz QMQXDEWMRWANAE-KXBFYZLASA-N 1 2 341.455 3.741 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000572132891 1036011271 /nfs/dbraw/zinc/01/12/71/1036011271.db2.gz QMQXDEWMRWANAE-KXBFYZLASA-N 1 2 341.455 3.741 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)C1 ZINC000613478891 1036023528 /nfs/dbraw/zinc/02/35/28/1036023528.db2.gz VFXCFVUNBBQIJW-HNNXBMFYSA-N 1 2 339.439 3.624 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)C1 ZINC000613478891 1036023546 /nfs/dbraw/zinc/02/35/46/1036023546.db2.gz VFXCFVUNBBQIJW-HNNXBMFYSA-N 1 2 339.439 3.624 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000613484167 1036038332 /nfs/dbraw/zinc/03/83/32/1036038332.db2.gz PHOBMJRMNXUCDE-UHFFFAOYSA-N 1 2 330.472 3.524 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000613484167 1036038358 /nfs/dbraw/zinc/03/83/58/1036038358.db2.gz PHOBMJRMNXUCDE-UHFFFAOYSA-N 1 2 330.472 3.524 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000163370270 1036073303 /nfs/dbraw/zinc/07/33/03/1036073303.db2.gz WDYOSPMNOUXIOR-IAGOWNOFSA-N 1 2 337.448 3.662 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000457429418 1036091026 /nfs/dbraw/zinc/09/10/26/1036091026.db2.gz INVFPCWTZWVNAV-UHFFFAOYSA-N 1 2 339.483 3.662 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332765412 1036102630 /nfs/dbraw/zinc/10/26/30/1036102630.db2.gz NFIXLVSEOWKGFZ-IFXJQAMLSA-N 1 2 338.455 3.622 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332765412 1036102642 /nfs/dbraw/zinc/10/26/42/1036102642.db2.gz NFIXLVSEOWKGFZ-IFXJQAMLSA-N 1 2 338.455 3.622 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332765413 1036103389 /nfs/dbraw/zinc/10/33/89/1036103389.db2.gz NFIXLVSEOWKGFZ-LIRRHRJNSA-N 1 2 338.455 3.622 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332765413 1036103400 /nfs/dbraw/zinc/10/34/00/1036103400.db2.gz NFIXLVSEOWKGFZ-LIRRHRJNSA-N 1 2 338.455 3.622 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCCn3cc[nH+]c3)CCCC2)c1 ZINC000588818809 1036103493 /nfs/dbraw/zinc/10/34/93/1036103493.db2.gz UGZBMQGWSYNPJK-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO CC(C)CCCCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457449263 1036140211 /nfs/dbraw/zinc/14/02/11/1036140211.db2.gz YCYLDTUWDGMTPL-UHFFFAOYSA-N 1 2 327.472 3.807 20 0 EHADLO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cscn1 ZINC000063591280 1036159683 /nfs/dbraw/zinc/15/96/83/1036159683.db2.gz UTOXRHFZZBZEHL-UHFFFAOYSA-N 1 2 325.437 3.757 20 0 EHADLO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cscn1 ZINC000063591280 1036159693 /nfs/dbraw/zinc/15/96/93/1036159693.db2.gz UTOXRHFZZBZEHL-UHFFFAOYSA-N 1 2 325.437 3.757 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000174907119 1036162160 /nfs/dbraw/zinc/16/21/60/1036162160.db2.gz WOBXQPWHADYGMI-MJGOQNOKSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc2c(s1)CCC2 ZINC000414232935 1036195459 /nfs/dbraw/zinc/19/54/59/1036195459.db2.gz DMSJIGJYZXHAJE-VIFPVBQESA-N 1 2 327.375 3.896 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414235243 1036204112 /nfs/dbraw/zinc/20/41/12/1036204112.db2.gz HARHUPQQZVOWBS-CYBMUJFWSA-N 1 2 325.309 3.802 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414235231 1036205275 /nfs/dbraw/zinc/20/52/75/1036205275.db2.gz GZEXZRCDVNHCLO-VFZGTOFNSA-N 1 2 325.309 3.658 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000376350270 1036230443 /nfs/dbraw/zinc/23/04/43/1036230443.db2.gz LERYZZSNMWEZCC-ORAYPTAESA-N 1 2 339.439 3.744 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259375 1036248552 /nfs/dbraw/zinc/24/85/52/1036248552.db2.gz CANWAUJMVKJNKD-QGZVFWFLSA-N 1 2 342.508 3.895 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000175181679 1036267098 /nfs/dbraw/zinc/26/70/98/1036267098.db2.gz YSQOORPGVSKRCC-SJORKVTESA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cnc(CC[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)s1 ZINC000165186652 1036296958 /nfs/dbraw/zinc/29/69/58/1036296958.db2.gz QPLQTTVSSNFIPU-UHFFFAOYSA-N 1 2 337.448 3.697 20 0 EHADLO Cc1cnc(CC[N@H+](C)CN2c3cccc4cccc(c34)C2=O)s1 ZINC000165186652 1036296970 /nfs/dbraw/zinc/29/69/70/1036296970.db2.gz QPLQTTVSSNFIPU-UHFFFAOYSA-N 1 2 337.448 3.697 20 0 EHADLO CCC1CCC(N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000589209128 1036313105 /nfs/dbraw/zinc/31/31/05/1036313105.db2.gz LHQZDLFWRROKNF-UHFFFAOYSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)n1ncc2c1[C@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCC2 ZINC000376372706 1036358398 /nfs/dbraw/zinc/35/83/98/1036358398.db2.gz YLDPVZZKCJHVPN-MRXNPFEDSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)n1ncc2c1[C@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC000376372706 1036358411 /nfs/dbraw/zinc/35/84/11/1036358411.db2.gz YLDPVZZKCJHVPN-MRXNPFEDSA-N 1 2 340.475 3.734 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249733415 1036388600 /nfs/dbraw/zinc/38/86/00/1036388600.db2.gz BZIZVHXZKYUIGI-IERDGZPVSA-N 1 2 339.435 3.730 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249733415 1036388620 /nfs/dbraw/zinc/38/86/20/1036388620.db2.gz BZIZVHXZKYUIGI-IERDGZPVSA-N 1 2 339.435 3.730 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131519 1036403931 /nfs/dbraw/zinc/40/39/31/1036403931.db2.gz RIPDPOAOVIFGNG-MRXNPFEDSA-N 1 2 349.887 3.633 20 0 EHADLO CCCNc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000191731778 1036424015 /nfs/dbraw/zinc/42/40/15/1036424015.db2.gz VCPKQBOIHQNEPR-UHFFFAOYSA-N 1 2 331.470 3.838 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2F)on1 ZINC000926761431 1036442067 /nfs/dbraw/zinc/44/20/67/1036442067.db2.gz ZIAKKIYAQFATCM-SSDOTTSWSA-N 1 2 347.159 3.575 20 0 EHADLO c1nc2cc(C[N@@H+]3CCCC[C@H]3c3nnc(C4CCC4)o3)ccc2[nH]1 ZINC000572646883 1036445044 /nfs/dbraw/zinc/44/50/44/1036445044.db2.gz OUFDUXFZWOZISV-KRWDZBQOSA-N 1 2 337.427 3.941 20 0 EHADLO c1nc2cc(C[N@H+]3CCCC[C@H]3c3nnc(C4CCC4)o3)ccc2[nH]1 ZINC000572646883 1036445058 /nfs/dbraw/zinc/44/50/58/1036445058.db2.gz OUFDUXFZWOZISV-KRWDZBQOSA-N 1 2 337.427 3.941 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000572716563 1036466831 /nfs/dbraw/zinc/46/68/31/1036466831.db2.gz YZODLNJNFDWJSI-CYBMUJFWSA-N 1 2 328.309 3.922 20 0 EHADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cc[nH+]cc1F ZINC000192150084 1036477940 /nfs/dbraw/zinc/47/79/40/1036477940.db2.gz SHHLCGCBZAUPBL-UHFFFAOYSA-N 1 2 332.329 3.914 20 0 EHADLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000572818789 1036508139 /nfs/dbraw/zinc/50/81/39/1036508139.db2.gz JQRACFOZYWZIKN-CQSZACIVSA-N 1 2 345.468 3.918 20 0 EHADLO Cc1cccn2cc(CC(=O)N3Cc4ccccc4C(C)(C)C3)[nH+]c12 ZINC000535465261 1036525525 /nfs/dbraw/zinc/52/55/25/1036525525.db2.gz VFUHTJFMAQALJO-UHFFFAOYSA-N 1 2 333.435 3.505 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC000589596992 1036562973 /nfs/dbraw/zinc/56/29/73/1036562973.db2.gz FJENSNKBAWEXGN-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC000589596992 1036562984 /nfs/dbraw/zinc/56/29/84/1036562984.db2.gz FJENSNKBAWEXGN-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO CCC1(CC)C[N@H+](CC(=O)Nc2cc(F)ccc2F)CCS1 ZINC000464578825 1036565015 /nfs/dbraw/zinc/56/50/15/1036565015.db2.gz WSPDMJYCQZZNPW-UHFFFAOYSA-N 1 2 328.428 3.511 20 0 EHADLO CCC1(CC)C[N@@H+](CC(=O)Nc2cc(F)ccc2F)CCS1 ZINC000464578825 1036565028 /nfs/dbraw/zinc/56/50/28/1036565028.db2.gz WSPDMJYCQZZNPW-UHFFFAOYSA-N 1 2 328.428 3.511 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1C ZINC000541718215 1036588795 /nfs/dbraw/zinc/58/87/95/1036588795.db2.gz NOCYUMCDXSGQMC-RHSMWYFYSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1C ZINC000541718215 1036588807 /nfs/dbraw/zinc/58/88/07/1036588807.db2.gz NOCYUMCDXSGQMC-RHSMWYFYSA-N 1 2 335.444 3.717 20 0 EHADLO O[C@@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)C(F)F ZINC000493057561 1036593803 /nfs/dbraw/zinc/59/38/03/1036593803.db2.gz LRTVBUBGEDQIPG-LSDHHAIUSA-N 1 2 347.739 3.923 20 0 EHADLO C[C@H](CNC(=O)c1ccc(OC2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000176399681 1036613327 /nfs/dbraw/zinc/61/33/27/1036613327.db2.gz ODTCJKBUSGXUCF-MRXNPFEDSA-N 1 2 341.455 3.661 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000589958023 1036678492 /nfs/dbraw/zinc/67/84/92/1036678492.db2.gz ZXMVPEVCMBIJEI-INIZCTEOSA-N 1 2 335.407 3.591 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000057085793 1036681222 /nfs/dbraw/zinc/68/12/22/1036681222.db2.gz IJSFNSNYCNDWNW-HXUWFJFHSA-N 1 2 331.419 3.705 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000057085793 1036681228 /nfs/dbraw/zinc/68/12/28/1036681228.db2.gz IJSFNSNYCNDWNW-HXUWFJFHSA-N 1 2 331.419 3.705 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000302748696 1036705520 /nfs/dbraw/zinc/70/55/20/1036705520.db2.gz ISICLUDHKZANNT-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@H](c2ccco2)C1 ZINC000464859726 1036916619 /nfs/dbraw/zinc/91/66/19/1036916619.db2.gz YLMTUEJLLPJSMV-WBMJQRKESA-N 1 2 334.366 3.970 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@H](c2ccco2)C1 ZINC000464859726 1036916634 /nfs/dbraw/zinc/91/66/34/1036916634.db2.gz YLMTUEJLLPJSMV-WBMJQRKESA-N 1 2 334.366 3.970 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2[nH]ccc2c1 ZINC000103579665 1036947272 /nfs/dbraw/zinc/94/72/72/1036947272.db2.gz KSDLRJXLOLIFBM-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000541983073 1036947735 /nfs/dbraw/zinc/94/77/35/1036947735.db2.gz IPBFAXNYZLBMPD-MRXNPFEDSA-N 1 2 338.220 3.720 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590726260 1037005629 /nfs/dbraw/zinc/00/56/29/1037005629.db2.gz AJTKVYMUEOBPOO-WMZOPIPTSA-N 1 2 341.455 3.638 20 0 EHADLO CC(C)(F)CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666429677 1037013377 /nfs/dbraw/zinc/01/33/77/1037013377.db2.gz KAIWGRZQMXYGPW-IAGOWNOFSA-N 1 2 344.434 3.549 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590731784 1037034567 /nfs/dbraw/zinc/03/45/67/1037034567.db2.gz YNTGYMQTHYYTQT-KRWDZBQOSA-N 1 2 343.496 3.962 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613537406 1037062327 /nfs/dbraw/zinc/06/23/27/1037062327.db2.gz LTYJFUMXMQZGCL-UIXUWTQFSA-N 1 2 337.467 3.600 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000590799591 1037065030 /nfs/dbraw/zinc/06/50/30/1037065030.db2.gz IBLXTGBSADGCAR-GFCCVEGCSA-N 1 2 333.461 3.506 20 0 EHADLO COCCc1noc(C[N@H+](Cc2ccccc2F)C2CCCCC2)n1 ZINC000104708620 1037075097 /nfs/dbraw/zinc/07/50/97/1037075097.db2.gz KAIIVIHNYZQUPM-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO COCCc1noc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)n1 ZINC000104708620 1037075118 /nfs/dbraw/zinc/07/51/18/1037075118.db2.gz KAIIVIHNYZQUPM-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677533 1037083664 /nfs/dbraw/zinc/08/36/64/1037083664.db2.gz KJRPGEYSGLLMBI-RYUDHWBXSA-N 1 2 342.361 3.883 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677533 1037083680 /nfs/dbraw/zinc/08/36/80/1037083680.db2.gz KJRPGEYSGLLMBI-RYUDHWBXSA-N 1 2 342.361 3.883 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000376474002 1037086549 /nfs/dbraw/zinc/08/65/49/1037086549.db2.gz VMBOWSOLKXBLNV-UHFFFAOYSA-N 1 2 347.374 3.650 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590871528 1037107848 /nfs/dbraw/zinc/10/78/48/1037107848.db2.gz UIXZLLUABWOVMM-SFHVURJKSA-N 1 2 340.471 3.516 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)[nH+]cc2C)cc1F ZINC000666496135 1037151647 /nfs/dbraw/zinc/15/16/47/1037151647.db2.gz JMUMWHUGHIEOQM-KRWDZBQOSA-N 1 2 343.402 3.637 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007926539 1037157093 /nfs/dbraw/zinc/15/70/93/1037157093.db2.gz TZPIBMVSYVAFPD-NSHDSACASA-N 1 2 343.408 3.720 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007926539 1037157095 /nfs/dbraw/zinc/15/70/95/1037157095.db2.gz TZPIBMVSYVAFPD-NSHDSACASA-N 1 2 343.408 3.720 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000573017885 1037157737 /nfs/dbraw/zinc/15/77/37/1037157737.db2.gz TUYLXABWVQYSAN-HNNXBMFYSA-N 1 2 343.446 3.746 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000573017885 1037157749 /nfs/dbraw/zinc/15/77/49/1037157749.db2.gz TUYLXABWVQYSAN-HNNXBMFYSA-N 1 2 343.446 3.746 20 0 EHADLO CC(C)=CC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000061285362 1037159807 /nfs/dbraw/zinc/15/98/07/1037159807.db2.gz TVKUAZFCRJBZCR-UHFFFAOYSA-N 1 2 327.255 3.717 20 0 EHADLO Fc1cc(C[NH+]2CC3(CCC3(F)F)C2)ccc1OCC(F)(F)F ZINC000573028986 1037161063 /nfs/dbraw/zinc/16/10/63/1037161063.db2.gz RUICGZZFFJWJHC-UHFFFAOYSA-N 1 2 339.279 3.998 20 0 EHADLO Cc1cc2[nH]c(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2c(C)c1 ZINC000105644857 1037231792 /nfs/dbraw/zinc/23/17/92/1037231792.db2.gz VKYNGTYVPJMOLO-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833100 1037263645 /nfs/dbraw/zinc/26/36/45/1037263645.db2.gz JBKSIUJVPUOYOK-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833100 1037263662 /nfs/dbraw/zinc/26/36/62/1037263662.db2.gz JBKSIUJVPUOYOK-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000104341613 1037264861 /nfs/dbraw/zinc/26/48/61/1037264861.db2.gz LIVSGFPWRYIYPI-RTBURBONSA-N 1 2 325.456 3.848 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000573134286 1037297480 /nfs/dbraw/zinc/29/74/80/1037297480.db2.gz DUDHDSSDAYOJKC-MNOVXSKESA-N 1 2 340.254 3.815 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000573134286 1037297494 /nfs/dbraw/zinc/29/74/94/1037297494.db2.gz DUDHDSSDAYOJKC-MNOVXSKESA-N 1 2 340.254 3.815 20 0 EHADLO Cc1cccc([C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000542323194 1037300458 /nfs/dbraw/zinc/30/04/58/1037300458.db2.gz QTPDIIHPCXDTGX-GOSISDBHSA-N 1 2 333.435 3.510 20 0 EHADLO OCCCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000401179215 1037303045 /nfs/dbraw/zinc/30/30/45/1037303045.db2.gz ZTJDUMLVWLBPPQ-UHFFFAOYSA-N 1 2 348.231 3.712 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591385241 1037363248 /nfs/dbraw/zinc/36/32/48/1037363248.db2.gz UKYDOWBQSRCYFH-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591385241 1037363260 /nfs/dbraw/zinc/36/32/60/1037363260.db2.gz UKYDOWBQSRCYFH-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cc(Br)cn2C)c1 ZINC000539926709 1037375799 /nfs/dbraw/zinc/37/57/99/1037375799.db2.gz CIWZTOIFAATHMI-UHFFFAOYSA-N 1 2 325.225 3.867 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000539926709 1037375813 /nfs/dbraw/zinc/37/58/13/1037375813.db2.gz CIWZTOIFAATHMI-UHFFFAOYSA-N 1 2 325.225 3.867 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000376515126 1037382738 /nfs/dbraw/zinc/38/27/38/1037382738.db2.gz NQNIGHXRPKPQSX-ZFWWWQNUSA-N 1 2 346.272 3.865 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000376515126 1037382753 /nfs/dbraw/zinc/38/27/53/1037382753.db2.gz NQNIGHXRPKPQSX-ZFWWWQNUSA-N 1 2 346.272 3.865 20 0 EHADLO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414404236 1037394680 /nfs/dbraw/zinc/39/46/80/1037394680.db2.gz HTOOBSUARHKVMN-CQSZACIVSA-N 1 2 329.531 3.942 20 0 EHADLO CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414404236 1037394692 /nfs/dbraw/zinc/39/46/92/1037394692.db2.gz HTOOBSUARHKVMN-CQSZACIVSA-N 1 2 329.531 3.942 20 0 EHADLO COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171095558 1037456701 /nfs/dbraw/zinc/45/67/01/1037456701.db2.gz KEMPMOZGUJESAG-UHFFFAOYSA-N 1 2 346.446 3.676 20 0 EHADLO CCCOc1ccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000491433438 1037457162 /nfs/dbraw/zinc/45/71/62/1037457162.db2.gz DCHAOCACLFWWRU-YVMONPNESA-N 1 2 339.439 3.549 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000532474767 1037460271 /nfs/dbraw/zinc/46/02/71/1037460271.db2.gz ZZQHPHYLPRUJTA-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000532474767 1037460276 /nfs/dbraw/zinc/46/02/76/1037460276.db2.gz ZZQHPHYLPRUJTA-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(-c2ccccc2F)s1 ZINC000493580791 1037468003 /nfs/dbraw/zinc/46/80/03/1037468003.db2.gz HUPXNZHHGWCJKX-VQHVLOKHSA-N 1 2 341.411 3.617 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000462858174 1037481117 /nfs/dbraw/zinc/48/11/17/1037481117.db2.gz ZTGDBOFODBWFTN-CQSZACIVSA-N 1 2 331.847 3.906 20 0 EHADLO CC(C)(C)c1nc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000171156817 1037482959 /nfs/dbraw/zinc/48/29/59/1037482959.db2.gz MAMYGNCHWSDRPU-UHFFFAOYSA-N 1 2 340.452 3.808 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)NCc1cn2c([nH+]1)CCCC2 ZINC000491463902 1037490233 /nfs/dbraw/zinc/49/02/33/1037490233.db2.gz LRUIVJMVAYXBOV-VAWYXSNFSA-N 1 2 331.419 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](C)c2ccccc2F)c1C ZINC000171207767 1037515537 /nfs/dbraw/zinc/51/55/37/1037515537.db2.gz KUCAQHMTRQVALL-CYBMUJFWSA-N 1 2 344.430 3.998 20 0 EHADLO CC1=CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000540061973 1037529354 /nfs/dbraw/zinc/52/93/54/1037529354.db2.gz VDDWFBKMMAWOFG-GFCCVEGCSA-N 1 2 328.485 3.550 20 0 EHADLO CC1=CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000540061973 1037529371 /nfs/dbraw/zinc/52/93/71/1037529371.db2.gz VDDWFBKMMAWOFG-GFCCVEGCSA-N 1 2 328.485 3.550 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccn3)n2)ccc1F ZINC000532504017 1037531161 /nfs/dbraw/zinc/53/11/61/1037531161.db2.gz VOINCSXGVBBRGI-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3ccccn3)n2)ccc1F ZINC000532504017 1037531178 /nfs/dbraw/zinc/53/11/78/1037531178.db2.gz VOINCSXGVBBRGI-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc([C@@H]2CCCN2C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000491519026 1037534833 /nfs/dbraw/zinc/53/48/33/1037534833.db2.gz GPMUZYOAWAHBSL-KKMIYCERSA-N 1 2 348.406 3.546 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591590432 1037534930 /nfs/dbraw/zinc/53/49/30/1037534930.db2.gz HMJGOZQIEJIJKW-DLBZAZTESA-N 1 2 332.492 3.932 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000573488090 1037583848 /nfs/dbraw/zinc/58/38/48/1037583848.db2.gz HQDURSGJOJCKAB-JKSUJKDBSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000573488090 1037583858 /nfs/dbraw/zinc/58/38/58/1037583858.db2.gz HQDURSGJOJCKAB-JKSUJKDBSA-N 1 2 337.847 3.516 20 0 EHADLO CCCCOc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1Cl ZINC000573504629 1037593132 /nfs/dbraw/zinc/59/31/32/1037593132.db2.gz UQNHPEWKTXXEDB-ZDUSSCGKSA-N 1 2 349.862 3.737 20 0 EHADLO CCCCOc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1Cl ZINC000573504629 1037593145 /nfs/dbraw/zinc/59/31/45/1037593145.db2.gz UQNHPEWKTXXEDB-ZDUSSCGKSA-N 1 2 349.862 3.737 20 0 EHADLO O=C(CCCc1cccs1)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913708900 1037635522 /nfs/dbraw/zinc/63/55/22/1037635522.db2.gz HEJCRYJJKRSLCU-UHFFFAOYSA-N 1 2 339.464 3.751 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493805959 1037645571 /nfs/dbraw/zinc/64/55/71/1037645571.db2.gz VYJYVCLLNCPDQU-MDZDMXLPSA-N 1 2 327.428 3.509 20 0 EHADLO O=C(CCCc1ccsc1)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711482 1037653106 /nfs/dbraw/zinc/65/31/06/1037653106.db2.gz VZHVKEICSLAODY-UHFFFAOYSA-N 1 2 339.464 3.751 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000573623993 1037664161 /nfs/dbraw/zinc/66/41/61/1037664161.db2.gz RNKSFUGHSLJYBT-CYBMUJFWSA-N 1 2 347.409 3.838 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000573623993 1037664169 /nfs/dbraw/zinc/66/41/69/1037664169.db2.gz RNKSFUGHSLJYBT-CYBMUJFWSA-N 1 2 347.409 3.838 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@H](CC)C1 ZINC000463022008 1037669504 /nfs/dbraw/zinc/66/95/04/1037669504.db2.gz ICGTYEFWUIOZSU-CYBMUJFWSA-N 1 2 330.453 3.743 20 0 EHADLO Cc1cccc(C)c1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463035692 1037672611 /nfs/dbraw/zinc/67/26/11/1037672611.db2.gz JAWQMHRLMZPNAO-KRWDZBQOSA-N 1 2 342.508 3.813 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000431855188 1037673003 /nfs/dbraw/zinc/67/30/03/1037673003.db2.gz AETKJSIQABDDPW-JCNLHEQBSA-N 1 2 326.444 3.640 20 0 EHADLO CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc2c(c1)OCO2 ZINC000506051685 1037718723 /nfs/dbraw/zinc/71/87/23/1037718723.db2.gz QJANPCVNSUXANV-UHFFFAOYSA-N 1 2 335.407 3.828 20 0 EHADLO CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc2c(c1)OCO2 ZINC000506051685 1037718742 /nfs/dbraw/zinc/71/87/42/1037718742.db2.gz QJANPCVNSUXANV-UHFFFAOYSA-N 1 2 335.407 3.828 20 0 EHADLO O=C(CCCc1cccs1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656644 1037756876 /nfs/dbraw/zinc/75/68/76/1037756876.db2.gz JJLXYPJYVWMCRB-UHFFFAOYSA-N 1 2 339.464 3.632 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000112976479 1037772304 /nfs/dbraw/zinc/77/23/04/1037772304.db2.gz OLPFGXZMWSWDIM-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000112976479 1037772325 /nfs/dbraw/zinc/77/23/25/1037772325.db2.gz OLPFGXZMWSWDIM-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO CSc1cc(F)ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000646548900 1037785622 /nfs/dbraw/zinc/78/56/22/1037785622.db2.gz PKZNJKRKPKDWTR-CQSZACIVSA-N 1 2 347.415 3.628 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000573859815 1037788110 /nfs/dbraw/zinc/78/81/10/1037788110.db2.gz CVUQQCFQRCILGS-ZIAGYGMSSA-N 1 2 340.870 3.725 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000494007871 1037788551 /nfs/dbraw/zinc/78/85/51/1037788551.db2.gz COGZTYBPXSXCHU-UKRRQHHQSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000494007871 1037788568 /nfs/dbraw/zinc/78/85/68/1037788568.db2.gz COGZTYBPXSXCHU-UKRRQHHQSA-N 1 2 349.475 3.820 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378069788 1037807036 /nfs/dbraw/zinc/80/70/36/1037807036.db2.gz CJVAOJNJBGMRQA-UHFFFAOYSA-N 1 2 335.860 3.561 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378069788 1037807057 /nfs/dbraw/zinc/80/70/57/1037807057.db2.gz CJVAOJNJBGMRQA-UHFFFAOYSA-N 1 2 335.860 3.561 20 0 EHADLO CC[N@H+](CCSC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000592199644 1037863324 /nfs/dbraw/zinc/86/33/24/1037863324.db2.gz HFHSIJKCCQEJAM-UHFFFAOYSA-N 1 2 349.481 3.842 20 0 EHADLO CC[N@@H+](CCSC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000592199644 1037863338 /nfs/dbraw/zinc/86/33/38/1037863338.db2.gz HFHSIJKCCQEJAM-UHFFFAOYSA-N 1 2 349.481 3.842 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ncsc4Cl)no3)[nH]c21 ZINC000463184149 1037867908 /nfs/dbraw/zinc/86/79/08/1037867908.db2.gz YXIRUXMDUUPHSP-UHFFFAOYSA-N 1 2 345.815 3.816 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119482475 1037902998 /nfs/dbraw/zinc/90/29/98/1037902998.db2.gz LTWDUPPXAKWDSI-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO C[N@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)CC(C)(C)C ZINC000151937353 1037952521 /nfs/dbraw/zinc/95/25/21/1037952521.db2.gz HLWUONOOKYWPLN-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO C[N@@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)CC(C)(C)C ZINC000151937353 1037952535 /nfs/dbraw/zinc/95/25/35/1037952535.db2.gz HLWUONOOKYWPLN-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000540455435 1037976718 /nfs/dbraw/zinc/97/67/18/1037976718.db2.gz IWRMLALGOIMENZ-LLVKDONJSA-N 1 2 336.794 3.777 20 0 EHADLO CC(=O)Nc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1 ZINC000184311384 1038028897 /nfs/dbraw/zinc/02/88/97/1038028897.db2.gz NDUCZYOBGAITPI-UHFFFAOYSA-N 1 2 328.803 3.797 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000592550792 1038034932 /nfs/dbraw/zinc/03/49/32/1038034932.db2.gz HQKSEVPRHIGRMI-GOSISDBHSA-N 1 2 338.455 3.569 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000123659328 1038052770 /nfs/dbraw/zinc/05/27/70/1038052770.db2.gz SUWFYEQIQPGENI-KSSFIOAISA-N 1 2 347.409 3.594 20 0 EHADLO O=C(NCc1cccc(Cl)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000913842779 1038062418 /nfs/dbraw/zinc/06/24/18/1038062418.db2.gz OFHJJSXTTRVYFX-UHFFFAOYSA-N 1 2 344.846 3.521 20 0 EHADLO Cc1ccc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000041219316 1038076337 /nfs/dbraw/zinc/07/63/37/1038076337.db2.gz KEGXDVQEWPLRAV-YLJYHZDGSA-N 1 2 348.450 3.669 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2c(Cl)cccc2Cl)oc1C ZINC000540566860 1038084056 /nfs/dbraw/zinc/08/40/56/1038084056.db2.gz FWJXDOKYYHHBOB-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO O=C(NCCc1cc2ccccc2o1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000123966087 1038113933 /nfs/dbraw/zinc/11/39/33/1038113933.db2.gz KTRUPOIHNNFTPO-UHFFFAOYSA-N 1 2 345.402 3.650 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000106761084 1038190820 /nfs/dbraw/zinc/19/08/20/1038190820.db2.gz FEPXWGYKYZOYSK-ZWKOTPCHSA-N 1 2 333.391 3.828 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000124599700 1038209855 /nfs/dbraw/zinc/20/98/55/1038209855.db2.gz HSXKLTWPRLWPPM-CQSZACIVSA-N 1 2 336.391 3.979 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000043350678 1038309496 /nfs/dbraw/zinc/30/94/96/1038309496.db2.gz GDNLBYAYBIXEMO-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000378272982 1038355627 /nfs/dbraw/zinc/35/56/27/1038355627.db2.gz MVKFYQQYBAAOCP-IDKBZEPQSA-N 1 2 329.831 3.804 20 0 EHADLO Cc1c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)oc2c1c(C)ccc2C ZINC000378272082 1038358321 /nfs/dbraw/zinc/35/83/21/1038358321.db2.gz XCQDCRXQEFEYIS-OAHLLOKOSA-N 1 2 337.423 3.721 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(COC)cc1)[C@H](C)c1ccccc1 ZINC000538570693 1038396635 /nfs/dbraw/zinc/39/66/35/1038396635.db2.gz YRVVYFSACBGCIS-QGZVFWFLSA-N 1 2 341.451 3.959 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(COC)cc1)[C@H](C)c1ccccc1 ZINC000538570693 1038396645 /nfs/dbraw/zinc/39/66/45/1038396645.db2.gz YRVVYFSACBGCIS-QGZVFWFLSA-N 1 2 341.451 3.959 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000659937045 1038407617 /nfs/dbraw/zinc/40/76/17/1038407617.db2.gz VNVGJYLXTDQREA-UHFFFAOYSA-N 1 2 349.278 3.947 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000659937045 1038407623 /nfs/dbraw/zinc/40/76/23/1038407623.db2.gz VNVGJYLXTDQREA-UHFFFAOYSA-N 1 2 349.278 3.947 20 0 EHADLO FC(F)(F)Cc1ncc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000893197907 1038419639 /nfs/dbraw/zinc/41/96/39/1038419639.db2.gz DSPYQKHESNDJMM-UHFFFAOYSA-N 1 2 342.390 3.855 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1OCc1ccccc1 ZINC000538726421 1038508723 /nfs/dbraw/zinc/50/87/23/1038508723.db2.gz RESPZEAEHLYSPK-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1OCc1ccccc1 ZINC000538726421 1038508729 /nfs/dbraw/zinc/50/87/29/1038508729.db2.gz RESPZEAEHLYSPK-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)no1 ZINC000378351861 1038510208 /nfs/dbraw/zinc/51/02/08/1038510208.db2.gz UORQMGLJCIRGHG-GFCCVEGCSA-N 1 2 343.324 3.916 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)no1 ZINC000378351861 1038510212 /nfs/dbraw/zinc/51/02/12/1038510212.db2.gz UORQMGLJCIRGHG-GFCCVEGCSA-N 1 2 343.324 3.916 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(Cc2ccc(Cl)cc2)CC1 ZINC000538861834 1038571172 /nfs/dbraw/zinc/57/11/72/1038571172.db2.gz WMHKHFXQXYMQCB-UHFFFAOYSA-N 1 2 325.799 3.949 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538936855 1038602496 /nfs/dbraw/zinc/60/24/96/1038602496.db2.gz XJCNEMDIGOVEEI-IBGZPJMESA-N 1 2 332.407 3.539 20 0 EHADLO CCn1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c(C)n1 ZINC000893239021 1038628755 /nfs/dbraw/zinc/62/87/55/1038628755.db2.gz QOXXPGICSLBWRZ-UHFFFAOYSA-N 1 2 333.439 3.739 20 0 EHADLO CC1(C)CCc2sc([C@H]3C[N@H+](Cc4ccccc4)CCO3)nc21 ZINC000416403732 1038632632 /nfs/dbraw/zinc/63/26/32/1038632632.db2.gz OFNRNVHNCFKRHV-OAHLLOKOSA-N 1 2 328.481 3.940 20 0 EHADLO CC1(C)CCc2sc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc21 ZINC000416403732 1038632634 /nfs/dbraw/zinc/63/26/34/1038632634.db2.gz OFNRNVHNCFKRHV-OAHLLOKOSA-N 1 2 328.481 3.940 20 0 EHADLO OC1(C2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)CC1 ZINC000651379170 1038642122 /nfs/dbraw/zinc/64/21/22/1038642122.db2.gz ULENKGHYIWXTIS-UHFFFAOYSA-N 1 2 336.357 3.995 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000660002008 1038672355 /nfs/dbraw/zinc/67/23/55/1038672355.db2.gz AMQWUBUVCCCNIS-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000660002008 1038672358 /nfs/dbraw/zinc/67/23/58/1038672358.db2.gz AMQWUBUVCCCNIS-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000660004128 1038678170 /nfs/dbraw/zinc/67/81/70/1038678170.db2.gz XSDQZWKXFJWHNN-FZKQIMNGSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000660004128 1038678172 /nfs/dbraw/zinc/67/81/72/1038678172.db2.gz XSDQZWKXFJWHNN-FZKQIMNGSA-N 1 2 325.437 3.653 20 0 EHADLO COCC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000539098387 1038684023 /nfs/dbraw/zinc/68/40/23/1038684023.db2.gz GRXLLOYVWNFGDQ-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000488013993 1038777685 /nfs/dbraw/zinc/77/76/85/1038777685.db2.gz XLZYPSDHJLTRPN-IBGZPJMESA-N 1 2 344.405 3.725 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000488013993 1038777699 /nfs/dbraw/zinc/77/76/99/1038777699.db2.gz XLZYPSDHJLTRPN-IBGZPJMESA-N 1 2 344.405 3.725 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000667567315 1038785770 /nfs/dbraw/zinc/78/57/70/1038785770.db2.gz VOVFWIPVKDZOEB-YJBOKZPZSA-N 1 2 329.444 3.551 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000667567315 1038785781 /nfs/dbraw/zinc/78/57/81/1038785781.db2.gz VOVFWIPVKDZOEB-YJBOKZPZSA-N 1 2 329.444 3.551 20 0 EHADLO Cc1ccc(CCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000552035909 1038793927 /nfs/dbraw/zinc/79/39/27/1038793927.db2.gz NVHJGVACFVSBPH-WGSAOQKQSA-N 1 2 337.467 3.862 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000552035483 1038805406 /nfs/dbraw/zinc/80/54/06/1038805406.db2.gz ZMBCFOQCUIQGSL-SHTZXODSSA-N 1 2 327.428 3.699 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651398157 1038843800 /nfs/dbraw/zinc/84/38/00/1038843800.db2.gz INHSCUOSNRUZSP-KDOFPFPSSA-N 1 2 341.430 3.511 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCC[C@@H]1C ZINC000488102717 1038860083 /nfs/dbraw/zinc/86/00/83/1038860083.db2.gz HKHASTUDYCDUIB-FUHWJXTLSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CCC[C@@H]1C ZINC000488102717 1038860105 /nfs/dbraw/zinc/86/01/05/1038860105.db2.gz HKHASTUDYCDUIB-FUHWJXTLSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2nc(-c3ccccc3C)no2)c(C)[nH+]1 ZINC000614036241 1038864912 /nfs/dbraw/zinc/86/49/12/1038864912.db2.gz SRVNWKPIPBXYNH-XMMPIXPASA-N 1 2 341.436 3.506 20 0 EHADLO Fc1ccccc1[C@H]([NH2+]Cc1ncnn1CC(F)F)C1CCCC1 ZINC000488129746 1038890505 /nfs/dbraw/zinc/89/05/05/1038890505.db2.gz URVDBTJDUPGHHF-QGZVFWFLSA-N 1 2 338.377 3.703 20 0 EHADLO CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000416697623 1038915882 /nfs/dbraw/zinc/91/58/82/1038915882.db2.gz VNQAQBKLRYCGMB-MSOLQXFVSA-N 1 2 340.471 3.555 20 0 EHADLO CC(C)(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000431897042 1038922571 /nfs/dbraw/zinc/92/25/71/1038922571.db2.gz WUVNEZIMLNIWIM-UHFFFAOYSA-N 1 2 347.462 3.568 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000488169251 1038929038 /nfs/dbraw/zinc/92/90/38/1038929038.db2.gz RRQRYIZARTZDDC-KRWDZBQOSA-N 1 2 348.441 3.921 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000488169251 1038929050 /nfs/dbraw/zinc/92/90/50/1038929050.db2.gz RRQRYIZARTZDDC-KRWDZBQOSA-N 1 2 348.441 3.921 20 0 EHADLO Cc1c[nH]c(-c2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc2)n1 ZINC000898383914 1038932664 /nfs/dbraw/zinc/93/26/64/1038932664.db2.gz ISBFXXDBJVLFGZ-QGZVFWFLSA-N 1 2 337.427 3.808 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184872367 1038940861 /nfs/dbraw/zinc/94/08/61/1038940861.db2.gz SXVRHKXMKIXEJU-HOTGVXAUSA-N 1 2 343.471 3.885 20 0 EHADLO CCO[C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1(CC)CC ZINC000488182120 1038948490 /nfs/dbraw/zinc/94/84/90/1038948490.db2.gz LRLXWUZFEVSJQX-QZTJIDSGSA-N 1 2 341.455 3.586 20 0 EHADLO CCC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@H]1CCCCO1 ZINC000488202521 1038960466 /nfs/dbraw/zinc/96/04/66/1038960466.db2.gz OAMWQFRGCCVZGH-QGZVFWFLSA-N 1 2 347.434 3.581 20 0 EHADLO CCC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@H]1CCCCO1 ZINC000488202521 1038960483 /nfs/dbraw/zinc/96/04/83/1038960483.db2.gz OAMWQFRGCCVZGH-QGZVFWFLSA-N 1 2 347.434 3.581 20 0 EHADLO Cn1ccnc1CC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432740649 1038979049 /nfs/dbraw/zinc/97/90/49/1038979049.db2.gz BLHKVQACNCRDPU-UHFFFAOYSA-N 1 2 344.459 3.624 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccccc1Cl ZINC000485375353 1038982912 /nfs/dbraw/zinc/98/29/12/1038982912.db2.gz HJXOBLGSPXJBBO-CZUORRHYSA-N 1 2 340.920 3.591 20 0 EHADLO Cn1ccnc1CC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432743721 1039005473 /nfs/dbraw/zinc/00/54/73/1039005473.db2.gz YNUISVISNWSZAR-UHFFFAOYSA-N 1 2 343.418 3.955 20 0 EHADLO Clc1scc(CN2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000432752009 1039030708 /nfs/dbraw/zinc/03/07/08/1039030708.db2.gz HIEJBFQROXUIKO-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO Cc1ccc([C@H]([NH2+][C@@H]2CCCNC2=O)c2ccc(F)cc2Cl)cc1 ZINC000480029752 1039056182 /nfs/dbraw/zinc/05/61/82/1039056182.db2.gz MJWWMWTTXZWLPE-MSOLQXFVSA-N 1 2 346.833 3.745 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCc3c(F)ccc(Br)c3C2)CO1 ZINC000660646375 1039120828 /nfs/dbraw/zinc/12/08/28/1039120828.db2.gz ZHKDZGZCGOMLOH-SNVBAGLBSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCc3c(F)ccc(Br)c3C2)CO1 ZINC000660646375 1039120839 /nfs/dbraw/zinc/12/08/39/1039120839.db2.gz ZHKDZGZCGOMLOH-SNVBAGLBSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512426278 1039095027 /nfs/dbraw/zinc/09/50/27/1039095027.db2.gz FOHSYTAALKEBET-NFAWXSAZSA-N 1 2 343.298 3.849 20 0 EHADLO Fc1ccc(OC(F)F)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000660099685 1039098561 /nfs/dbraw/zinc/09/85/61/1039098561.db2.gz GGELYROXBKWMHB-UHFFFAOYSA-N 1 2 347.340 3.903 20 0 EHADLO CCN1CC[C@@H]1C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000905803033 1039109622 /nfs/dbraw/zinc/10/96/22/1039109622.db2.gz CEVRVEHKLYJUHW-RTBURBONSA-N 1 2 348.450 3.510 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2n[nH]cc2c1 ZINC000554258035 1039116278 /nfs/dbraw/zinc/11/62/78/1039116278.db2.gz XLDCEKLODVADPH-ZJUUUORDSA-N 1 2 346.232 3.527 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H](C)C1 ZINC000543972819 1039125288 /nfs/dbraw/zinc/12/52/88/1039125288.db2.gz BRAPFLIWKCWPIA-LMMKCTJWSA-N 1 2 346.519 3.910 20 0 EHADLO c1csc(-c2cnc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)o2)c1 ZINC000554249487 1039125906 /nfs/dbraw/zinc/12/59/06/1039125906.db2.gz JZVROGNURKRTMK-OAHLLOKOSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2cnc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)o2)c1 ZINC000554249487 1039125919 /nfs/dbraw/zinc/12/59/19/1039125919.db2.gz JZVROGNURKRTMK-OAHLLOKOSA-N 1 2 341.436 3.589 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000552330479 1039189072 /nfs/dbraw/zinc/18/90/72/1039189072.db2.gz RIJFKUPZANTSHU-MRXNPFEDSA-N 1 2 335.451 3.953 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc2ccc(F)cc2s1 ZINC000432792163 1039198638 /nfs/dbraw/zinc/19/86/38/1039198638.db2.gz JIUWSCAPPXLSKL-UHFFFAOYSA-N 1 2 330.432 3.600 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000349641761 1039228784 /nfs/dbraw/zinc/22/87/84/1039228784.db2.gz OIXOKJMSCZNMNR-UHFFFAOYSA-N 1 2 347.768 3.739 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000349641761 1039228799 /nfs/dbraw/zinc/22/87/99/1039228799.db2.gz OIXOKJMSCZNMNR-UHFFFAOYSA-N 1 2 347.768 3.739 20 0 EHADLO COc1ncc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000367438240 1039240881 /nfs/dbraw/zinc/24/08/81/1039240881.db2.gz LQXCINYAXIROPG-SMDDNHRTSA-N 1 2 349.866 3.644 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(OCCC(C)C)CC2)c(F)c1 ZINC000339205661 1039267458 /nfs/dbraw/zinc/26/74/58/1039267458.db2.gz TWGMREDTXLBMLI-UHFFFAOYSA-N 1 2 336.451 3.600 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(C(N)=O)c(Cl)c2)n1-c1ccccc1 ZINC000325880943 1039288431 /nfs/dbraw/zinc/28/84/31/1039288431.db2.gz NHVBCOCKZVTJPQ-UHFFFAOYSA-N 1 2 340.814 3.545 20 0 EHADLO OC[C@]1(F)CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H]1c1ccccc1 ZINC000584588044 1039312039 /nfs/dbraw/zinc/31/20/39/1039312039.db2.gz NVWYIZBVTWPKTB-UYAOXDASSA-N 1 2 340.373 3.678 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668865075 1039318438 /nfs/dbraw/zinc/31/84/38/1039318438.db2.gz QSFYYYPRUQDPRL-ROUUACIJSA-N 1 2 325.456 3.969 20 0 EHADLO FC(F)(F)[C@H](CCc1ccccc1)NCc1cccc2[nH+]ccn21 ZINC000478246616 1039318973 /nfs/dbraw/zinc/31/89/73/1039318973.db2.gz BVSHFOXSQKUENW-INIZCTEOSA-N 1 2 333.357 3.988 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC(C)(C)C1 ZINC000554438231 1039331403 /nfs/dbraw/zinc/33/14/03/1039331403.db2.gz AIVPHKKRGWSAAO-UHFFFAOYSA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)[C@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000488676499 1039337980 /nfs/dbraw/zinc/33/79/80/1039337980.db2.gz OXVPJCHOCQCBMO-KRWDZBQOSA-N 1 2 331.847 3.703 20 0 EHADLO COc1cccc2c(NCCc3nnc(C(C)C)s3)cc[nH+]c12 ZINC000488742931 1039369415 /nfs/dbraw/zinc/36/94/15/1039369415.db2.gz GTYJCVSJZHBBHG-UHFFFAOYSA-N 1 2 328.441 3.873 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000906187962 1039370351 /nfs/dbraw/zinc/37/03/51/1039370351.db2.gz LCDQQDODLHGBAP-UHFFFAOYSA-N 1 2 348.271 3.704 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(Br)c1)c1nc(C(C)(C)C)no1 ZINC000237482313 1039371657 /nfs/dbraw/zinc/37/16/57/1039371657.db2.gz RUNYMZSMNVRLCP-JTQLQIEISA-N 1 2 338.249 3.980 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nn1)C(C)C ZINC000906276806 1039432534 /nfs/dbraw/zinc/43/25/34/1039432534.db2.gz OOUKTUPUNYZDSX-SFHVURJKSA-N 1 2 339.418 3.597 20 0 EHADLO Cc1ccc(NC(=O)N2Cc3ccccc3C(C)(C)C2)c(N(C)C)[nH+]1 ZINC000759979275 1039449322 /nfs/dbraw/zinc/44/93/22/1039449322.db2.gz BDLLQQDKVZHKBI-UHFFFAOYSA-N 1 2 338.455 3.781 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2F)nn1 ZINC000906291640 1039454262 /nfs/dbraw/zinc/45/42/62/1039454262.db2.gz XQCXLPPSCFWJGD-CQSZACIVSA-N 1 2 340.402 3.574 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718656 1039457828 /nfs/dbraw/zinc/45/78/28/1039457828.db2.gz FFKZSMSWFNSCFU-IXDGSTSKSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718656 1039457837 /nfs/dbraw/zinc/45/78/37/1039457837.db2.gz FFKZSMSWFNSCFU-IXDGSTSKSA-N 1 2 338.442 3.899 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000552741474 1039486705 /nfs/dbraw/zinc/48/67/05/1039486705.db2.gz HLMCLOWTTHXEIH-ZWKOTPCHSA-N 1 2 345.874 3.849 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000488979026 1039511416 /nfs/dbraw/zinc/51/14/16/1039511416.db2.gz MFUOSEUUNYDFBZ-ZDUSSCGKSA-N 1 2 343.427 3.874 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000488979026 1039511435 /nfs/dbraw/zinc/51/14/35/1039511435.db2.gz MFUOSEUUNYDFBZ-ZDUSSCGKSA-N 1 2 343.427 3.874 20 0 EHADLO CC(C)N(C)c1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cn1 ZINC000478574777 1039546974 /nfs/dbraw/zinc/54/69/74/1039546974.db2.gz HUJVQKUHOVXMBT-UHFFFAOYSA-N 1 2 343.862 3.500 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000432865068 1039564971 /nfs/dbraw/zinc/56/49/71/1039564971.db2.gz HCJLLKHOPMUOSD-SIFUEBAJSA-N 1 2 342.464 3.998 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000432865068 1039564988 /nfs/dbraw/zinc/56/49/88/1039564988.db2.gz HCJLLKHOPMUOSD-SIFUEBAJSA-N 1 2 342.464 3.998 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667371240 1039605002 /nfs/dbraw/zinc/60/50/02/1039605002.db2.gz ZXWKNYYMEYOMPP-CYBMUJFWSA-N 1 2 333.461 3.640 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279938833 1039611743 /nfs/dbraw/zinc/61/17/43/1039611743.db2.gz XCPFGKLQIAARAP-CVEARBPZSA-N 1 2 342.439 3.673 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279938833 1039611754 /nfs/dbraw/zinc/61/17/54/1039611754.db2.gz XCPFGKLQIAARAP-CVEARBPZSA-N 1 2 342.439 3.673 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000667680456 1039612464 /nfs/dbraw/zinc/61/24/64/1039612464.db2.gz HLVVGFQAHIXCTA-KXBFYZLASA-N 1 2 347.480 3.735 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000667680456 1039612471 /nfs/dbraw/zinc/61/24/71/1039612471.db2.gz HLVVGFQAHIXCTA-KXBFYZLASA-N 1 2 347.480 3.735 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000667684233 1039619521 /nfs/dbraw/zinc/61/95/21/1039619521.db2.gz OTCCERQNOPKKFU-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000667684233 1039619525 /nfs/dbraw/zinc/61/95/25/1039619525.db2.gz OTCCERQNOPKKFU-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2cccc3[nH+]ccn32)c1Br ZINC000485899091 1039669287 /nfs/dbraw/zinc/66/92/87/1039669287.db2.gz UODWXIYGQNWSLC-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906605150 1039676186 /nfs/dbraw/zinc/67/61/86/1039676186.db2.gz HJODDJFNLBVELJ-HNNXBMFYSA-N 1 2 336.439 3.867 20 0 EHADLO Cn1cnn(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S ZINC000024754856 1039684282 /nfs/dbraw/zinc/68/42/82/1039684282.db2.gz YGKNBKPOVWJWMU-GOSISDBHSA-N 1 2 336.464 3.556 20 0 EHADLO Cn1cnn(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S ZINC000024754856 1039684289 /nfs/dbraw/zinc/68/42/89/1039684289.db2.gz YGKNBKPOVWJWMU-GOSISDBHSA-N 1 2 336.464 3.556 20 0 EHADLO Cc1ccc(OCCCC(=O)NCC(C)(C)n2cc[nH+]c2)c(Cl)c1 ZINC000898905015 1039689832 /nfs/dbraw/zinc/68/98/32/1039689832.db2.gz PCWKVWUIHNOBFW-UHFFFAOYSA-N 1 2 349.862 3.555 20 0 EHADLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000898903843 1039690535 /nfs/dbraw/zinc/69/05/35/1039690535.db2.gz KZRIPVGSYBMUAV-LBPRGKRZSA-N 1 2 339.361 3.557 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000543838404 1039692309 /nfs/dbraw/zinc/69/23/09/1039692309.db2.gz HZLCLWUUMXOVFZ-SFHVURJKSA-N 1 2 344.361 3.751 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@@H](C)n4ncnc43)cc2)cs1 ZINC000924808441 1039698392 /nfs/dbraw/zinc/69/83/92/1039698392.db2.gz CGIXAWYXUPVOAI-IAQYHMDHSA-N 1 2 325.441 3.506 20 0 EHADLO Cc1cc2c(CC(=O)NCC(C)(C)n3cc[nH+]c3)csc2s1 ZINC000898911158 1039700790 /nfs/dbraw/zinc/70/07/90/1039700790.db2.gz MBMNQEIJAWQXEB-UHFFFAOYSA-N 1 2 333.482 3.562 20 0 EHADLO Cc1nc2cccc(Cl)c2cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898910918 1039701235 /nfs/dbraw/zinc/70/12/35/1039701235.db2.gz BIFNNKIWQSTMSN-UHFFFAOYSA-N 1 2 342.830 3.558 20 0 EHADLO C[C@@H]1[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CCOC1(C)C ZINC000480584468 1039711341 /nfs/dbraw/zinc/71/13/41/1039711341.db2.gz HYUSKNWKGSUNDG-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@@H]1[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CCOC1(C)C ZINC000480584468 1039711359 /nfs/dbraw/zinc/71/13/59/1039711359.db2.gz HYUSKNWKGSUNDG-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO CCC(CC)N(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000460162869 1039797966 /nfs/dbraw/zinc/79/79/66/1039797966.db2.gz BYKZEUCNCUHHEE-UHFFFAOYSA-N 1 2 328.460 3.652 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2OCc2ccccc2C)cc[nH+]1 ZINC000486052132 1039806370 /nfs/dbraw/zinc/80/63/70/1039806370.db2.gz IJMXFRYYIWEJTA-UHFFFAOYSA-N 1 2 332.403 3.952 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584782807 1039824195 /nfs/dbraw/zinc/82/41/95/1039824195.db2.gz CPPOOWYQDZIXDI-QGZVFWFLSA-N 1 2 343.446 3.804 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000554849122 1039829609 /nfs/dbraw/zinc/82/96/09/1039829609.db2.gz UWJAWUAYDNPZLV-WMLDXEAASA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000554849122 1039829640 /nfs/dbraw/zinc/82/96/40/1039829640.db2.gz UWJAWUAYDNPZLV-WMLDXEAASA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(SC)o2)cc1 ZINC000893962447 1039864705 /nfs/dbraw/zinc/86/47/05/1039864705.db2.gz NUFNFAPYTUOSFT-INIZCTEOSA-N 1 2 346.452 3.613 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(SC)o2)cc1 ZINC000893962447 1039864726 /nfs/dbraw/zinc/86/47/26/1039864726.db2.gz NUFNFAPYTUOSFT-INIZCTEOSA-N 1 2 346.452 3.613 20 0 EHADLO Cc1cc(NCc2cccc(N3CCOCC3)c2)nc(C2CCC2)[nH+]1 ZINC000893973199 1039906874 /nfs/dbraw/zinc/90/68/74/1039906874.db2.gz WABMJKORUCJOAO-UHFFFAOYSA-N 1 2 338.455 3.501 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000110172792 1039909875 /nfs/dbraw/zinc/90/98/75/1039909875.db2.gz AKOCPLICDOOPJX-HSMVNMDESA-N 1 2 342.842 3.551 20 0 EHADLO Cn1c(C[NH2+][C@@H](CCO)c2ccccc2F)nc2ccc(Cl)cc21 ZINC000647249997 1039989101 /nfs/dbraw/zinc/98/91/01/1039989101.db2.gz ZELYMWUKSBJKDR-HNNXBMFYSA-N 1 2 347.821 3.579 20 0 EHADLO CC(C)c1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000479170732 1040014936 /nfs/dbraw/zinc/01/49/36/1040014936.db2.gz XCGMJYPLWCBTPF-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO COc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc1 ZINC000894056749 1040021066 /nfs/dbraw/zinc/02/10/66/1040021066.db2.gz FZPXEJDGRNHDLX-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CCc1nnc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000894060929 1040026604 /nfs/dbraw/zinc/02/66/04/1040026604.db2.gz XYEZNUWNTBQHRA-UHFFFAOYSA-N 1 2 339.468 3.912 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cn1 ZINC000549844874 1040029479 /nfs/dbraw/zinc/02/94/79/1040029479.db2.gz BSDVGCPGERDFTQ-LJQANCHMSA-N 1 2 331.410 3.748 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cn1 ZINC000549844874 1040029499 /nfs/dbraw/zinc/02/94/99/1040029499.db2.gz BSDVGCPGERDFTQ-LJQANCHMSA-N 1 2 331.410 3.748 20 0 EHADLO COc1ccc2ccc(N[C@@H]3CCO[C@@H](c4cccnc4)C3)[nH+]c2c1 ZINC000894081470 1040034655 /nfs/dbraw/zinc/03/46/55/1040034655.db2.gz YPIYLXNWVXLCAX-VQIMIIECSA-N 1 2 335.407 3.971 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000479279471 1040089747 /nfs/dbraw/zinc/08/97/47/1040089747.db2.gz BQWLOCQRJVGRNS-NWDGAFQWSA-N 1 2 342.277 3.700 20 0 EHADLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1C2(F)F ZINC000428736019 1040113708 /nfs/dbraw/zinc/11/37/08/1040113708.db2.gz GNURGPQCQGITQL-GXTWGEPZSA-N 1 2 349.208 3.909 20 0 EHADLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1C2(F)F ZINC000428736019 1040113713 /nfs/dbraw/zinc/11/37/13/1040113713.db2.gz GNURGPQCQGITQL-GXTWGEPZSA-N 1 2 349.208 3.909 20 0 EHADLO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000660256894 1040134864 /nfs/dbraw/zinc/13/48/64/1040134864.db2.gz MDQTUOHJHFDWBS-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000150915744 1040175370 /nfs/dbraw/zinc/17/53/70/1040175370.db2.gz FSBMXPHJXWFGSK-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO Cn1nccc1N1CCC[C@@H](Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553567682 1040196209 /nfs/dbraw/zinc/19/62/09/1040196209.db2.gz GYDPTVGAAVBPJO-CYBMUJFWSA-N 1 2 341.846 3.703 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000432937140 1040222407 /nfs/dbraw/zinc/22/24/07/1040222407.db2.gz JYSOYFQZQLBMAF-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000432937140 1040222415 /nfs/dbraw/zinc/22/24/15/1040222415.db2.gz JYSOYFQZQLBMAF-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO Cc1c(Br)cncc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000667495450 1040254900 /nfs/dbraw/zinc/25/49/00/1040254900.db2.gz KACYAOADLOACCB-UHFFFAOYSA-N 1 2 337.183 3.927 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000667498913 1040275168 /nfs/dbraw/zinc/27/51/68/1040275168.db2.gz XARRDOWMJURUOR-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000667498913 1040275188 /nfs/dbraw/zinc/27/51/88/1040275188.db2.gz XARRDOWMJURUOR-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO COC(=O)[C@H]([NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12)C1CC1 ZINC000479503693 1040310630 /nfs/dbraw/zinc/31/06/30/1040310630.db2.gz OETUDWFFTIHMJH-OAHLLOKOSA-N 1 2 341.238 3.558 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000490050181 1040323090 /nfs/dbraw/zinc/32/30/90/1040323090.db2.gz ZYIQIMBCJGJXDJ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000490050181 1040323104 /nfs/dbraw/zinc/32/31/04/1040323104.db2.gz ZYIQIMBCJGJXDJ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152136482 1040333180 /nfs/dbraw/zinc/33/31/80/1040333180.db2.gz VUOKUKCNLJBLSC-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152136482 1040333195 /nfs/dbraw/zinc/33/31/95/1040333195.db2.gz VUOKUKCNLJBLSC-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2cccc[nH+]2)CC1 ZINC000364176671 1040342557 /nfs/dbraw/zinc/34/25/57/1040342557.db2.gz XLKMLQDUNWCQBW-KRWDZBQOSA-N 1 2 327.815 3.687 20 0 EHADLO c1csc(-c2nc3ccccc3c(N3CC(n4cc[nH+]c4)C3)n2)c1 ZINC000555302178 1040377244 /nfs/dbraw/zinc/37/72/44/1040377244.db2.gz XQZGOEJNWIBUAQ-UHFFFAOYSA-N 1 2 333.420 3.616 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3ccnn3-c3ccccc3)CC23CCOCC3)c1 ZINC000668673828 1040402306 /nfs/dbraw/zinc/40/23/06/1040402306.db2.gz ZVJBABXCPZOYRC-HXUWFJFHSA-N 1 2 349.434 3.819 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3ccnn3-c3ccccc3)CC23CCOCC3)c1 ZINC000668673828 1040402326 /nfs/dbraw/zinc/40/23/26/1040402326.db2.gz ZVJBABXCPZOYRC-HXUWFJFHSA-N 1 2 349.434 3.819 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(c3cccc(F)c3F)CC2)n1 ZINC000555337628 1040432441 /nfs/dbraw/zinc/43/24/41/1040432441.db2.gz ZIIKAOYOQQUOGV-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO O=C([C@@H]1CCCC2(CC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614188048 1040448900 /nfs/dbraw/zinc/44/89/00/1040448900.db2.gz HKFVIAMHSCBROG-QGZVFWFLSA-N 1 2 341.499 3.896 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000448641215 1040472185 /nfs/dbraw/zinc/47/21/85/1040472185.db2.gz YKFZIKWSBCGZKY-RBUKOAKNSA-N 1 2 339.483 3.807 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000247269691 1040550274 /nfs/dbraw/zinc/55/02/74/1040550274.db2.gz XYWXTARZNQYPFY-WBVHZDCISA-N 1 2 348.487 3.686 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000247269691 1040550286 /nfs/dbraw/zinc/55/02/86/1040550286.db2.gz XYWXTARZNQYPFY-WBVHZDCISA-N 1 2 348.487 3.686 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000029363368 1040560795 /nfs/dbraw/zinc/56/07/95/1040560795.db2.gz SUHXTJQSMXBZBL-XVJNWHFHSA-N 1 2 344.842 3.852 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000418095127 1040573284 /nfs/dbraw/zinc/57/32/84/1040573284.db2.gz GBVQVJOYXIOFKF-NSHDSACASA-N 1 2 348.434 3.811 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000667856873 1040595338 /nfs/dbraw/zinc/59/53/38/1040595338.db2.gz XTFACFNZJQGNKA-GUDVDZBRSA-N 1 2 335.451 3.592 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1cccc(Cl)c1Cl ZINC000668714911 1040609659 /nfs/dbraw/zinc/60/96/59/1040609659.db2.gz DZOSWQRYVMXEGB-MRXNPFEDSA-N 1 2 337.250 3.700 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000490567646 1040612955 /nfs/dbraw/zinc/61/29/55/1040612955.db2.gz MKGBWGIEDFYJBN-UZLBHIALSA-N 1 2 341.451 3.980 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000490567646 1040612961 /nfs/dbraw/zinc/61/29/61/1040612961.db2.gz MKGBWGIEDFYJBN-UZLBHIALSA-N 1 2 341.451 3.980 20 0 EHADLO CC(C)n1cc(C2=CCCN(c3[nH+]ccc4c(N)cccc43)CC2)nn1 ZINC000663961634 1040631831 /nfs/dbraw/zinc/63/18/31/1040631831.db2.gz CWLDYAFZSATNJA-UHFFFAOYSA-N 1 2 348.454 3.673 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278830646 1040661009 /nfs/dbraw/zinc/66/10/09/1040661009.db2.gz DBHBSXCJSJYXRU-RKDXNWHRSA-N 1 2 337.411 3.506 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000481300757 1040662393 /nfs/dbraw/zinc/66/23/93/1040662393.db2.gz LXEASUJPHXFGGI-GOSISDBHSA-N 1 2 345.874 3.962 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000481300757 1040662406 /nfs/dbraw/zinc/66/24/06/1040662406.db2.gz LXEASUJPHXFGGI-GOSISDBHSA-N 1 2 345.874 3.962 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000660357914 1040720001 /nfs/dbraw/zinc/72/00/01/1040720001.db2.gz OUKLRQPIFZXJFB-IAGOWNOFSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000433093358 1040729883 /nfs/dbraw/zinc/72/98/83/1040729883.db2.gz QHSYIXRGZNCWNA-UHFFFAOYSA-N 1 2 346.434 3.732 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CCOCC4(CCCC4)C3)s2)cc1 ZINC000364327099 1040812548 /nfs/dbraw/zinc/81/25/48/1040812548.db2.gz XRWYVOZDBOTUPV-UHFFFAOYSA-N 1 2 329.469 3.598 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CCOCC4(CCCC4)C3)s2)cc1 ZINC000364327099 1040812564 /nfs/dbraw/zinc/81/25/64/1040812564.db2.gz XRWYVOZDBOTUPV-UHFFFAOYSA-N 1 2 329.469 3.598 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2C[C@@H](CC(C)(C)C)OC2=O)n1 ZINC000248988153 1040886816 /nfs/dbraw/zinc/88/68/16/1040886816.db2.gz WSEXQJRJXORUDJ-NVXWUHKLSA-N 1 2 331.460 3.741 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2C[C@@H](CC(C)(C)C)OC2=O)n1 ZINC000248988153 1040886830 /nfs/dbraw/zinc/88/68/30/1040886830.db2.gz WSEXQJRJXORUDJ-NVXWUHKLSA-N 1 2 331.460 3.741 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C2CC2)o1 ZINC000613740749 1040905554 /nfs/dbraw/zinc/90/55/54/1040905554.db2.gz WXXKJVFCMSJHII-OAQYLSRUSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C2CC2)o1 ZINC000613740749 1040905577 /nfs/dbraw/zinc/90/55/77/1040905577.db2.gz WXXKJVFCMSJHII-OAQYLSRUSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1cc(/C=C/C(=O)NCCn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000067182153 1040920146 /nfs/dbraw/zinc/92/01/46/1040920146.db2.gz MASHAOLKINRHFP-CMDGGOBGSA-N 1 2 340.471 3.636 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cs1 ZINC000411529362 1040948645 /nfs/dbraw/zinc/94/86/45/1040948645.db2.gz IETJITKNEMZXEF-WFASDCNBSA-N 1 2 347.459 3.862 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142639680 1040962107 /nfs/dbraw/zinc/96/21/07/1040962107.db2.gz SYFAYRWFZXLQPU-MRXNPFEDSA-N 1 2 329.396 3.550 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142639680 1040962084 /nfs/dbraw/zinc/96/20/84/1040962084.db2.gz SYFAYRWFZXLQPU-MRXNPFEDSA-N 1 2 329.396 3.550 20 0 EHADLO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc(F)c1F ZINC001143610255 1041024113 /nfs/dbraw/zinc/02/41/13/1041024113.db2.gz UQOXQHWALNJOAJ-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc(F)c1F ZINC001143610255 1041024129 /nfs/dbraw/zinc/02/41/29/1041024129.db2.gz UQOXQHWALNJOAJ-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808886 1041032926 /nfs/dbraw/zinc/03/29/26/1041032926.db2.gz WOQXGNHBLLHDFB-UHFFFAOYSA-N 1 2 341.455 3.550 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808886 1041032945 /nfs/dbraw/zinc/03/29/45/1041032945.db2.gz WOQXGNHBLLHDFB-UHFFFAOYSA-N 1 2 341.455 3.550 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000586817974 1041040408 /nfs/dbraw/zinc/04/04/08/1041040408.db2.gz UXWIVYUTJDAAJJ-UHFFFAOYSA-N 1 2 335.407 3.522 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000487696366 1041056383 /nfs/dbraw/zinc/05/63/83/1041056383.db2.gz YQGYPOLEHKMZRR-OALUTQOASA-N 1 2 340.471 3.641 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000481564269 1041060954 /nfs/dbraw/zinc/06/09/54/1041060954.db2.gz OSHXQGANWPDNHP-BEFAXECRSA-N 1 2 329.415 3.612 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1c(=S)nc2nc(C)c(C)c(C)n21 ZINC000123904867 1041090835 /nfs/dbraw/zinc/09/08/35/1041090835.db2.gz XXKUWIYBOXABGI-UHFFFAOYSA-N 1 2 335.521 3.901 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1c(=S)nc2nc(C)c(C)c(C)n21 ZINC000123904867 1041090856 /nfs/dbraw/zinc/09/08/56/1041090856.db2.gz XXKUWIYBOXABGI-UHFFFAOYSA-N 1 2 335.521 3.901 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OC2CCC2)CC1 ZINC000419285940 1041101670 /nfs/dbraw/zinc/10/16/70/1041101670.db2.gz NTEKZZRZXGOTKB-CYBMUJFWSA-N 1 2 336.863 3.701 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OC2CCC2)CC1 ZINC000419285941 1041102601 /nfs/dbraw/zinc/10/26/01/1041102601.db2.gz NTEKZZRZXGOTKB-ZDUSSCGKSA-N 1 2 336.863 3.701 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000487836061 1041138094 /nfs/dbraw/zinc/13/80/94/1041138094.db2.gz DYKNQYAZGSKOHK-LCLWPZTBSA-N 1 2 349.478 3.559 20 0 EHADLO CCC[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000600429074 1041205278 /nfs/dbraw/zinc/20/52/78/1041205278.db2.gz OZCUXOUQFATGQI-HUUCEWRRSA-N 1 2 338.442 3.872 20 0 EHADLO CCC[C@@H](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000600429074 1041205293 /nfs/dbraw/zinc/20/52/93/1041205293.db2.gz OZCUXOUQFATGQI-HUUCEWRRSA-N 1 2 338.442 3.872 20 0 EHADLO CO[C@@H](C[NH2+][C@@](C)(c1noc(C)n1)C1CC1)c1ccc(Cl)cc1 ZINC000433321441 1041278015 /nfs/dbraw/zinc/27/80/15/1041278015.db2.gz NWOSGJSDTQZXAB-DOTOQJQBSA-N 1 2 335.835 3.634 20 0 EHADLO CCn1cc(C[NH+]2CCC(Cc3nc(C(C)(C)C)cs3)CC2)nn1 ZINC000899882418 1041285553 /nfs/dbraw/zinc/28/55/53/1041285553.db2.gz JBODDQOCTRVUGE-UHFFFAOYSA-N 1 2 347.532 3.507 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CC(C)(C)C2CC2)c1)[NH+]1CCOCC1 ZINC000555898280 1041305200 /nfs/dbraw/zinc/30/52/00/1041305200.db2.gz FRYKRMMUMZQYED-HNNXBMFYSA-N 1 2 330.472 3.845 20 0 EHADLO CC1CCC(C)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000433341518 1041316885 /nfs/dbraw/zinc/31/68/85/1041316885.db2.gz ICSJDASFBLGGFT-UHFFFAOYSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1cccnc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000364457337 1041341838 /nfs/dbraw/zinc/34/18/38/1041341838.db2.gz WGCCZWMQRGPRBA-INIZCTEOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccnc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000364457337 1041341848 /nfs/dbraw/zinc/34/18/48/1041341848.db2.gz WGCCZWMQRGPRBA-INIZCTEOSA-N 1 2 338.386 3.916 20 0 EHADLO CCc1nc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)no1 ZINC000111260592 1041536282 /nfs/dbraw/zinc/53/62/82/1041536282.db2.gz YFXLXKZVFJISGY-UHFFFAOYSA-N 1 2 328.391 3.632 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733386 1041580777 /nfs/dbraw/zinc/58/07/77/1041580777.db2.gz USAZIHXZNOTSLA-IRXDYDNUSA-N 1 2 341.455 3.639 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000511810349 1041640788 /nfs/dbraw/zinc/64/07/88/1041640788.db2.gz NXNFDJQCEBSAPO-QLFBSQMISA-N 1 2 329.362 3.883 20 0 EHADLO CC(C)C[C@H](C)Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545589813 1041655312 /nfs/dbraw/zinc/65/53/12/1041655312.db2.gz DUGGGYKSOJQDGO-INIZCTEOSA-N 1 2 343.471 3.794 20 0 EHADLO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1OC(F)F ZINC000660583196 1041703254 /nfs/dbraw/zinc/70/32/54/1041703254.db2.gz AGVLAMCVVHTFRR-GOEBONIOSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1OC(F)F ZINC000660583196 1041703264 /nfs/dbraw/zinc/70/32/64/1041703264.db2.gz AGVLAMCVVHTFRR-GOEBONIOSA-N 1 2 341.373 3.961 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000026621277 1041720433 /nfs/dbraw/zinc/72/04/33/1041720433.db2.gz UQMMGLSXZZOVKA-MRXNPFEDSA-N 1 2 346.858 3.754 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000026621277 1041720440 /nfs/dbraw/zinc/72/04/40/1041720440.db2.gz UQMMGLSXZZOVKA-MRXNPFEDSA-N 1 2 346.858 3.754 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)no1 ZINC000660632867 1041737816 /nfs/dbraw/zinc/73/78/16/1041737816.db2.gz XZCCJFPMEDEJPD-MRXNPFEDSA-N 1 2 334.423 3.820 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)no1 ZINC000660632867 1041737828 /nfs/dbraw/zinc/73/78/28/1041737828.db2.gz XZCCJFPMEDEJPD-MRXNPFEDSA-N 1 2 334.423 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629584 1041738516 /nfs/dbraw/zinc/73/85/16/1041738516.db2.gz CNBSXKJVWBEGEG-ZIAGYGMSSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629584 1041738520 /nfs/dbraw/zinc/73/85/20/1041738520.db2.gz CNBSXKJVWBEGEG-ZIAGYGMSSA-N 1 2 345.393 3.566 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000660672067 1041765552 /nfs/dbraw/zinc/76/55/52/1041765552.db2.gz OZIJNYNBOHWFOA-CQSZACIVSA-N 1 2 328.334 3.524 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)Cc1ccc(CO)cc1 ZINC000660707974 1041786730 /nfs/dbraw/zinc/78/67/30/1041786730.db2.gz KMNYAMDCYFOTQO-GFCCVEGCSA-N 1 2 329.831 3.902 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000660707974 1041786736 /nfs/dbraw/zinc/78/67/36/1041786736.db2.gz KMNYAMDCYFOTQO-GFCCVEGCSA-N 1 2 329.831 3.902 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(C)nc(C)n1 ZINC000660754566 1041806183 /nfs/dbraw/zinc/80/61/83/1041806183.db2.gz RXYJCNGWEPVWMQ-UHFFFAOYSA-N 1 2 337.826 3.535 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(C)nc(C)n1 ZINC000660754566 1041806185 /nfs/dbraw/zinc/80/61/85/1041806185.db2.gz RXYJCNGWEPVWMQ-UHFFFAOYSA-N 1 2 337.826 3.535 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)[nH]1 ZINC000660883538 1041861893 /nfs/dbraw/zinc/86/18/93/1041861893.db2.gz OBDQWORHJGTOAB-GFCCVEGCSA-N 1 2 345.516 3.643 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2ccco2)CC1 ZINC000661160910 1041975259 /nfs/dbraw/zinc/97/52/59/1041975259.db2.gz GLSDBPZHQYWPNG-AWEZNQCLSA-N 1 2 333.453 3.624 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000651804880 1042058585 /nfs/dbraw/zinc/05/85/85/1042058585.db2.gz YKCPKXPGUUKFNI-HXUWFJFHSA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000651804880 1042058591 /nfs/dbraw/zinc/05/85/91/1042058591.db2.gz YKCPKXPGUUKFNI-HXUWFJFHSA-N 1 2 335.455 3.939 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651843347 1042098476 /nfs/dbraw/zinc/09/84/76/1042098476.db2.gz CDPWUGXFPMXFNI-HZPDHXFCSA-N 1 2 331.504 3.873 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438923 1042126442 /nfs/dbraw/zinc/12/64/42/1042126442.db2.gz WICQURCRDUGHLW-HXUWFJFHSA-N 1 2 338.451 3.855 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438923 1042126447 /nfs/dbraw/zinc/12/64/47/1042126447.db2.gz WICQURCRDUGHLW-HXUWFJFHSA-N 1 2 338.451 3.855 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2ccncc2c1 ZINC000651890148 1042141897 /nfs/dbraw/zinc/14/18/97/1042141897.db2.gz PKLDNMHMNIORKW-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513789 1042159901 /nfs/dbraw/zinc/15/99/01/1042159901.db2.gz LBAMLOYOLPCGOG-BEFAXECRSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513789 1042159909 /nfs/dbraw/zinc/15/99/09/1042159909.db2.gz LBAMLOYOLPCGOG-BEFAXECRSA-N 1 2 326.415 3.792 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001126097005 1042165322 /nfs/dbraw/zinc/16/53/22/1042165322.db2.gz JKKWHEONBVGJIP-KRWDZBQOSA-N 1 2 334.423 3.717 20 0 EHADLO CCc1nocc1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661546337 1042181416 /nfs/dbraw/zinc/18/14/16/1042181416.db2.gz ZUGOJWLVCKNRFB-UHFFFAOYSA-N 1 2 325.437 3.919 20 0 EHADLO CCc1nocc1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661546337 1042181423 /nfs/dbraw/zinc/18/14/23/1042181423.db2.gz ZUGOJWLVCKNRFB-UHFFFAOYSA-N 1 2 325.437 3.919 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661556231 1042186740 /nfs/dbraw/zinc/18/67/40/1042186740.db2.gz GJLGFCKVBBMQDG-WBVHZDCISA-N 1 2 342.487 3.828 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1Cl ZINC000066888197 1042206177 /nfs/dbraw/zinc/20/61/77/1042206177.db2.gz XBKFWSPSCHGAGN-UHFFFAOYSA-N 1 2 326.787 3.847 20 0 EHADLO Fc1cccc(F)c1C1=CC[N@H+](Cc2cnc3ccccn23)CC1 ZINC000473116652 1042206884 /nfs/dbraw/zinc/20/68/84/1042206884.db2.gz DVCRMSGCMZLUBN-UHFFFAOYSA-N 1 2 325.362 3.902 20 0 EHADLO Fc1cccc(F)c1C1=CC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC000473116652 1042206890 /nfs/dbraw/zinc/20/68/90/1042206890.db2.gz DVCRMSGCMZLUBN-UHFFFAOYSA-N 1 2 325.362 3.902 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+](C)C[C@H]3COCCO3)cs2)cc1 ZINC000661604091 1042213992 /nfs/dbraw/zinc/21/39/92/1042213992.db2.gz NHPBGUZJLZNOJM-SFHVURJKSA-N 1 2 346.496 3.781 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+](C)C[C@H]3COCCO3)cs2)cc1 ZINC000661604091 1042213994 /nfs/dbraw/zinc/21/39/94/1042213994.db2.gz NHPBGUZJLZNOJM-SFHVURJKSA-N 1 2 346.496 3.781 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000027535379 1042230331 /nfs/dbraw/zinc/23/03/31/1042230331.db2.gz LBGRONGNVOVUBR-INIZCTEOSA-N 1 2 328.485 3.932 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000027535379 1042230334 /nfs/dbraw/zinc/23/03/34/1042230334.db2.gz LBGRONGNVOVUBR-INIZCTEOSA-N 1 2 328.485 3.932 20 0 EHADLO C[N@H+](CC(=O)c1ccccc1F)Cc1ccc(Br)cc1 ZINC000048014433 1042276308 /nfs/dbraw/zinc/27/63/08/1042276308.db2.gz CDMZMCAUTXNVFP-UHFFFAOYSA-N 1 2 336.204 3.903 20 0 EHADLO C[N@@H+](CC(=O)c1ccccc1F)Cc1ccc(Br)cc1 ZINC000048014433 1042276311 /nfs/dbraw/zinc/27/63/11/1042276311.db2.gz CDMZMCAUTXNVFP-UHFFFAOYSA-N 1 2 336.204 3.903 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCCCC1CCC1)c1ccccc1 ZINC000661822359 1042350377 /nfs/dbraw/zinc/35/03/77/1042350377.db2.gz FECOTZGEUBNLLH-GOSISDBHSA-N 1 2 340.471 3.583 20 0 EHADLO CC[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000661864606 1042372141 /nfs/dbraw/zinc/37/21/41/1042372141.db2.gz KCNKRIRDXCLQFV-OALUTQOASA-N 1 2 340.471 3.729 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661951221 1042427746 /nfs/dbraw/zinc/42/77/46/1042427746.db2.gz KEUWIDDBUJQTKJ-UHFFFAOYSA-N 1 2 328.456 3.584 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000652411636 1042463824 /nfs/dbraw/zinc/46/38/24/1042463824.db2.gz WAECYMWQENUOCI-RDJZCZTQSA-N 1 2 346.862 3.562 20 0 EHADLO Fc1cccc(Br)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000662048386 1042481310 /nfs/dbraw/zinc/48/13/10/1042481310.db2.gz VQPMSRMYXNLGJF-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065570 1042493543 /nfs/dbraw/zinc/49/35/43/1042493543.db2.gz RWQDZMNAJCUFRI-CRAIPNDOSA-N 1 2 335.407 3.951 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065570 1042493547 /nfs/dbraw/zinc/49/35/47/1042493547.db2.gz RWQDZMNAJCUFRI-CRAIPNDOSA-N 1 2 335.407 3.951 20 0 EHADLO c1nc(-c2ccccn2)sc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000544617552 1042515402 /nfs/dbraw/zinc/51/54/02/1042515402.db2.gz RNIYIVDTQHNSBN-GOSISDBHSA-N 1 2 343.496 3.986 20 0 EHADLO c1nc(-c2ccccn2)sc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000544617552 1042515408 /nfs/dbraw/zinc/51/54/08/1042515408.db2.gz RNIYIVDTQHNSBN-GOSISDBHSA-N 1 2 343.496 3.986 20 0 EHADLO Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662099423 1042519767 /nfs/dbraw/zinc/51/97/67/1042519767.db2.gz UKKLIINQDJVTEU-MRXNPFEDSA-N 1 2 334.261 3.562 20 0 EHADLO Cn1cncc1CCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662099423 1042519772 /nfs/dbraw/zinc/51/97/72/1042519772.db2.gz UKKLIINQDJVTEU-MRXNPFEDSA-N 1 2 334.261 3.562 20 0 EHADLO CCCC[N@H+](Cc1cnc(C(=O)OC)cn1)Cc1ccccc1Cl ZINC000599281588 1042527897 /nfs/dbraw/zinc/52/78/97/1042527897.db2.gz KJGMUYXCYZQCJA-UHFFFAOYSA-N 1 2 347.846 3.719 20 0 EHADLO CCCC[N@@H+](Cc1cnc(C(=O)OC)cn1)Cc1ccccc1Cl ZINC000599281588 1042527900 /nfs/dbraw/zinc/52/79/00/1042527900.db2.gz KJGMUYXCYZQCJA-UHFFFAOYSA-N 1 2 347.846 3.719 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(F)cc1F ZINC000662162647 1042555222 /nfs/dbraw/zinc/55/52/22/1042555222.db2.gz GCURFLCPYDQJKD-AWEZNQCLSA-N 1 2 347.283 3.529 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662216002 1042609345 /nfs/dbraw/zinc/60/93/45/1042609345.db2.gz YZUUCPLPJBPZDT-AWEZNQCLSA-N 1 2 325.412 3.633 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cn(C)nc3C(C)(C)C)co2)cc1 ZINC000093967064 1042610487 /nfs/dbraw/zinc/61/04/87/1042610487.db2.gz XIXSQOSKFDGLNL-UHFFFAOYSA-N 1 2 338.455 3.971 20 0 EHADLO CC(C)O[C@H](C[N@@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227713 1042617134 /nfs/dbraw/zinc/61/71/34/1042617134.db2.gz PYLZOTRQRPRERE-HZPDHXFCSA-N 1 2 331.378 3.806 20 0 EHADLO CC(C)O[C@H](C[N@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227713 1042617140 /nfs/dbraw/zinc/61/71/40/1042617140.db2.gz PYLZOTRQRPRERE-HZPDHXFCSA-N 1 2 331.378 3.806 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCc1c(F)cccc1F ZINC001167799454 1042701856 /nfs/dbraw/zinc/70/18/56/1042701856.db2.gz ZTXYTHRTORDIHS-SFHVURJKSA-N 1 2 333.378 3.744 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCc1c(F)cccc1F ZINC001167799454 1042701860 /nfs/dbraw/zinc/70/18/60/1042701860.db2.gz ZTXYTHRTORDIHS-SFHVURJKSA-N 1 2 333.378 3.744 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000663350759 1042743041 /nfs/dbraw/zinc/74/30/41/1042743041.db2.gz FIKFHKJAIVKZDC-KRWDZBQOSA-N 1 2 337.398 3.797 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000121253131 1042748466 /nfs/dbraw/zinc/74/84/66/1042748466.db2.gz ZXCCAYYRMBHCLS-AOCRQIFASA-N 1 2 346.519 3.599 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1nc(C(F)(F)F)cs1 ZINC000278877546 1042809635 /nfs/dbraw/zinc/80/96/35/1042809635.db2.gz VYJPXQVNQJLWBF-MRVPVSSYSA-N 1 2 343.378 3.947 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000278877546 1042809643 /nfs/dbraw/zinc/80/96/43/1042809643.db2.gz VYJPXQVNQJLWBF-MRVPVSSYSA-N 1 2 343.378 3.947 20 0 EHADLO CSCc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000343928120 1042855005 /nfs/dbraw/zinc/85/50/05/1042855005.db2.gz DLJOIZKHNUMKJQ-UHFFFAOYSA-N 1 2 346.525 3.505 20 0 EHADLO CSCc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000343928120 1042855007 /nfs/dbraw/zinc/85/50/07/1042855007.db2.gz DLJOIZKHNUMKJQ-UHFFFAOYSA-N 1 2 346.525 3.505 20 0 EHADLO Cc1[nH]c(CN2CCC[C@H]2c2ccc(Br)cn2)[nH+]c1C ZINC000628305670 1042906132 /nfs/dbraw/zinc/90/61/32/1042906132.db2.gz ONUBQXZGQOYJNB-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO CCn1nccc1C1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000278925595 1042965480 /nfs/dbraw/zinc/96/54/80/1042965480.db2.gz SAQOGXNYDBHLBP-UHFFFAOYSA-N 1 2 339.270 3.984 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000663533054 1042977485 /nfs/dbraw/zinc/97/74/85/1042977485.db2.gz ZGZBLOBHGFWAER-SFHVURJKSA-N 1 2 347.418 3.930 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102481 1042999786 /nfs/dbraw/zinc/99/97/86/1042999786.db2.gz OYAXLCROGFIETA-QGZVFWFLSA-N 1 2 344.499 3.666 20 0 EHADLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(C)(C)c1ccccc1 ZINC001143528618 1043012990 /nfs/dbraw/zinc/01/29/90/1043012990.db2.gz RSCMYLHWEBBNSF-HNNXBMFYSA-N 1 2 349.434 3.674 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cc(Br)cs1 ZINC000393444722 1043056134 /nfs/dbraw/zinc/05/61/34/1043056134.db2.gz XXTPWEJKRKXYBM-SSDOTTSWSA-N 1 2 334.670 3.748 20 0 EHADLO C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccs1 ZINC000278943420 1043063511 /nfs/dbraw/zinc/06/35/11/1043063511.db2.gz LHASSZBYJNMUKL-CQSZACIVSA-N 1 2 343.496 3.791 20 0 EHADLO COc1cncc(C[N@H+](C)Cc2cc(Br)ccc2F)c1 ZINC000343992387 1043069634 /nfs/dbraw/zinc/06/96/34/1043069634.db2.gz UZPNNKDVONRAOR-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cncc(C[N@@H+](C)Cc2cc(Br)ccc2F)c1 ZINC000343992387 1043069644 /nfs/dbraw/zinc/06/96/44/1043069644.db2.gz UZPNNKDVONRAOR-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279009770 1043185035 /nfs/dbraw/zinc/18/50/35/1043185035.db2.gz UFHNNNLQBWKZOT-INIZCTEOSA-N 1 2 327.472 3.672 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000344073798 1043204978 /nfs/dbraw/zinc/20/49/78/1043204978.db2.gz PXFZWMXORZTVAR-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000344073798 1043204989 /nfs/dbraw/zinc/20/49/89/1043204989.db2.gz PXFZWMXORZTVAR-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000279026329 1043215915 /nfs/dbraw/zinc/21/59/15/1043215915.db2.gz WGGVWWMWKYVTTN-SNVBAGLBSA-N 1 2 349.422 3.652 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512118120 1043309000 /nfs/dbraw/zinc/30/90/00/1043309000.db2.gz GHOJYGLOKUXCIB-IAGOWNOFSA-N 1 2 344.503 3.566 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)c(C)c1 ZINC000344202751 1043419557 /nfs/dbraw/zinc/41/95/57/1043419557.db2.gz XRQQISMCGUEXTJ-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO O=C(Nc1ccc(-c2cnco2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344232351 1043490980 /nfs/dbraw/zinc/49/09/80/1043490980.db2.gz RKGMOBHVEIJINL-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344252427 1043521373 /nfs/dbraw/zinc/52/13/73/1043521373.db2.gz QEHYHDPUEDCXQR-CHWSQXEVSA-N 1 2 343.374 3.519 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344252427 1043521384 /nfs/dbraw/zinc/52/13/84/1043521384.db2.gz QEHYHDPUEDCXQR-CHWSQXEVSA-N 1 2 343.374 3.519 20 0 EHADLO CCSCc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000279234765 1043624090 /nfs/dbraw/zinc/62/40/90/1043624090.db2.gz NJYYZCVPJLKFRO-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000344405340 1043968815 /nfs/dbraw/zinc/96/88/15/1043968815.db2.gz ZNVQZLQSVGIXIY-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO Cc1nc(N[C@@H](c2cccnc2)C2CC2)c(Br)c(C)[nH+]1 ZINC000663752766 1044009888 /nfs/dbraw/zinc/00/98/88/1044009888.db2.gz MYKBZSJMCKGKEL-CQSZACIVSA-N 1 2 333.233 3.814 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000344601722 1044177768 /nfs/dbraw/zinc/17/77/68/1044177768.db2.gz FYDQVPJWCQYBLH-QFBILLFUSA-N 1 2 341.455 3.506 20 0 EHADLO CCCOc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1OC ZINC000344634899 1044224320 /nfs/dbraw/zinc/22/43/20/1044224320.db2.gz DKLLCFJHNKPUEY-UHFFFAOYSA-N 1 2 335.473 3.749 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)s1 ZINC000344676417 1044261290 /nfs/dbraw/zinc/26/12/90/1044261290.db2.gz SPHHXLNIHTUODG-UHFFFAOYSA-N 1 2 341.440 3.534 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(OC(F)F)c2)cs1 ZINC000344699454 1044304058 /nfs/dbraw/zinc/30/40/58/1044304058.db2.gz OSJJDICIWXNFEB-JTQLQIEISA-N 1 2 328.384 3.742 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccsc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000344701842 1044308891 /nfs/dbraw/zinc/30/88/91/1044308891.db2.gz LXNSGLNWWWWDBK-NSHDSACASA-N 1 2 343.477 3.743 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccsc2s1)[N@H+]1CCc2ccccc2C1 ZINC000344701842 1044308901 /nfs/dbraw/zinc/30/89/01/1044308901.db2.gz LXNSGLNWWWWDBK-NSHDSACASA-N 1 2 343.477 3.743 20 0 EHADLO Cc1ccc(NCc2cc3c(cc2Br)OCO3)c(C)[nH+]1 ZINC000094664139 1044338626 /nfs/dbraw/zinc/33/86/26/1044338626.db2.gz WYTAQBGTTWLSLX-UHFFFAOYSA-N 1 2 335.201 3.802 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000344766818 1044397925 /nfs/dbraw/zinc/39/79/25/1044397925.db2.gz ZCSRXANLUFLFCU-SFHVURJKSA-N 1 2 340.423 3.710 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000344766818 1044397939 /nfs/dbraw/zinc/39/79/39/1044397939.db2.gz ZCSRXANLUFLFCU-SFHVURJKSA-N 1 2 340.423 3.710 20 0 EHADLO Cc1cc(Nc2cc(CO)c(F)cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000663781929 1044447865 /nfs/dbraw/zinc/44/78/65/1044447865.db2.gz ZJIFTSMBCKLRJM-ZDUSSCGKSA-N 1 2 330.407 3.539 20 0 EHADLO CCc1nc(C)c(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000432636002 1044569977 /nfs/dbraw/zinc/56/99/77/1044569977.db2.gz XOXURRCLBBLRSY-UHFFFAOYSA-N 1 2 341.440 3.521 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000112530571 1044610514 /nfs/dbraw/zinc/61/05/14/1044610514.db2.gz VMQPFNMXXXWPRM-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO CCC1(CC)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000344879060 1044642405 /nfs/dbraw/zinc/64/24/05/1044642405.db2.gz YFXOFZREIKRVLV-UHFFFAOYSA-N 1 2 329.469 3.620 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)nc1 ZINC000344908802 1044685258 /nfs/dbraw/zinc/68/52/58/1044685258.db2.gz SHHMUEIWIYUGTJ-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)cs1 ZINC000663807724 1044869732 /nfs/dbraw/zinc/86/97/32/1044869732.db2.gz UQGMZTKUGMVAAN-WFASDCNBSA-N 1 2 329.469 3.871 20 0 EHADLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000076154049 1125557693 /nfs/dbraw/zinc/55/76/93/1125557693.db2.gz LVQXXRNQMUDELL-AHRSYUTCSA-N 1 2 342.389 3.770 20 0 EHADLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000076154049 1125557700 /nfs/dbraw/zinc/55/77/00/1125557700.db2.gz LVQXXRNQMUDELL-AHRSYUTCSA-N 1 2 342.389 3.770 20 0 EHADLO C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000620500748 1125583689 /nfs/dbraw/zinc/58/36/89/1125583689.db2.gz CIITYVMANJHDHV-SFHVURJKSA-N 1 2 347.462 3.623 20 0 EHADLO Cc1cc(Cl)c(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000153981301 1125680951 /nfs/dbraw/zinc/68/09/51/1125680951.db2.gz QFYBLFIOLMNZIY-UHFFFAOYSA-N 1 2 327.215 3.710 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000154117521 1125693861 /nfs/dbraw/zinc/69/38/61/1125693861.db2.gz DEYDJYBKWKXLRT-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000154117521 1125693866 /nfs/dbraw/zinc/69/38/66/1125693866.db2.gz DEYDJYBKWKXLRT-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ncc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)s1 ZINC000154488843 1125722195 /nfs/dbraw/zinc/72/21/95/1125722195.db2.gz IHWYRBWDZRINQO-UHFFFAOYSA-N 1 2 335.448 3.830 20 0 EHADLO Cc1ncc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)s1 ZINC000154488843 1125722202 /nfs/dbraw/zinc/72/22/02/1125722202.db2.gz IHWYRBWDZRINQO-UHFFFAOYSA-N 1 2 335.448 3.830 20 0 EHADLO c1cn(Cc2ccc(-c3nc(-c4ccc5c(c4)CCO5)no3)cc2)c[nH+]1 ZINC000154845964 1125760360 /nfs/dbraw/zinc/76/03/60/1125760360.db2.gz HCYFIUGHWBNYCN-UHFFFAOYSA-N 1 2 344.374 3.583 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1Nc1ccccc1 ZINC000154845773 1125760519 /nfs/dbraw/zinc/76/05/19/1125760519.db2.gz HEBZUZMOEGBRLT-UHFFFAOYSA-N 1 2 334.423 3.789 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155108134 1125786352 /nfs/dbraw/zinc/78/63/52/1125786352.db2.gz GCBIPOHDEOKLMZ-QGZVFWFLSA-N 1 2 343.471 3.631 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C)C(C)(C)C)cn2c1 ZINC000734444402 1131236782 /nfs/dbraw/zinc/23/67/82/1131236782.db2.gz ZGBQJOGVTPNGHD-AWEZNQCLSA-N 1 2 333.501 3.674 20 0 EHADLO O=C(Nc1ccccc1OCCF)c1cccc(Cn2cc[nH+]c2)c1 ZINC000622629191 1126733353 /nfs/dbraw/zinc/73/33/53/1126733353.db2.gz CNUGVHCXFUUOMJ-UHFFFAOYSA-N 1 2 339.370 3.532 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2ccc(C(C)C)c(C)c2)c[nH+]1 ZINC000622667956 1126744175 /nfs/dbraw/zinc/74/41/75/1126744175.db2.gz ZXDOFWGOKVSFBN-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cnc(OCC(C)C)c(Cl)c2)c[nH+]1 ZINC000622667534 1126741382 /nfs/dbraw/zinc/74/13/82/1126741382.db2.gz KHOGLKOCMCQQOX-UHFFFAOYSA-N 1 2 347.846 3.712 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3F)C[C@H]12 ZINC001238080543 1126774766 /nfs/dbraw/zinc/77/47/66/1126774766.db2.gz HVOWEGJNDQCINA-SKDRFNHKSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3F)C[C@H]12 ZINC001238080543 1126774769 /nfs/dbraw/zinc/77/47/69/1126774769.db2.gz HVOWEGJNDQCINA-SKDRFNHKSA-N 1 2 344.199 3.528 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000172588541 1126800386 /nfs/dbraw/zinc/80/03/86/1126800386.db2.gz UCYVIHQAXQDQJH-MRXNPFEDSA-N 1 2 340.492 3.653 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000172588541 1126800389 /nfs/dbraw/zinc/80/03/89/1126800389.db2.gz UCYVIHQAXQDQJH-MRXNPFEDSA-N 1 2 340.492 3.653 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623232170 1126899330 /nfs/dbraw/zinc/89/93/30/1126899330.db2.gz XHHVWRXMVCXHSU-KPZWWZAWSA-N 1 2 344.842 3.713 20 0 EHADLO COc1ccc(N(Cc2ccccc2)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000623246608 1126905207 /nfs/dbraw/zinc/90/52/07/1126905207.db2.gz ZWRCOQOXMYLMCD-UHFFFAOYSA-N 1 2 349.434 3.905 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)o2)c1 ZINC000623263005 1126908023 /nfs/dbraw/zinc/90/80/23/1126908023.db2.gz YIFAZXVCSCSTMF-MRXNPFEDSA-N 1 2 335.407 3.621 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)s1 ZINC000185569143 1126942624 /nfs/dbraw/zinc/94/26/24/1126942624.db2.gz TZGHNEHFPUZKAJ-QMMMGPOBSA-N 1 2 345.237 3.910 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC3CC3)c2)[nH]1 ZINC000623506993 1126968514 /nfs/dbraw/zinc/96/85/14/1126968514.db2.gz RXERGOQVGVOAEC-QWHCGFSZSA-N 1 2 344.459 3.719 20 0 EHADLO Cc1cc([C@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccccc2Cl)ccc1F ZINC000177213569 1126978766 /nfs/dbraw/zinc/97/87/66/1126978766.db2.gz GQIOSMLYLDYTHL-MSOLQXFVSA-N 1 2 346.833 3.697 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(Br)cc(F)c1O ZINC000185698070 1126987963 /nfs/dbraw/zinc/98/79/63/1126987963.db2.gz CDONFFQHEJUGFD-PSASIEDQSA-N 1 2 334.254 3.840 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@](C)(O)Cc3ccccc3)c2)[nH+]c1C ZINC000073045745 1126989804 /nfs/dbraw/zinc/98/98/04/1126989804.db2.gz GGWRXWBOSJFKBB-OAQYLSRUSA-N 1 2 349.434 3.626 20 0 EHADLO C/C=C\C[C@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623688078 1127022690 /nfs/dbraw/zinc/02/26/90/1127022690.db2.gz ZOEDNAZTGWCPFN-LIMHQNJXSA-N 1 2 340.471 3.573 20 0 EHADLO CC(C)Oc1cccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000179119406 1127045253 /nfs/dbraw/zinc/04/52/53/1127045253.db2.gz JAOXQONGEHZITE-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3coc(C4CCCCC4)n3)n2)C1 ZINC000349641149 1127045811 /nfs/dbraw/zinc/04/58/11/1127045811.db2.gz IAGAFOLXPILEOI-OAHLLOKOSA-N 1 2 346.431 3.554 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3coc(C4CCCCC4)n3)n2)C1 ZINC000349641149 1127045815 /nfs/dbraw/zinc/04/58/15/1127045815.db2.gz IAGAFOLXPILEOI-OAHLLOKOSA-N 1 2 346.431 3.554 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179967755 1127104958 /nfs/dbraw/zinc/10/49/58/1127104958.db2.gz MJQFIHWMYXQTID-CYBMUJFWSA-N 1 2 338.386 3.841 20 0 EHADLO c1cc2c(s1)CCN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)C2 ZINC000623829251 1127195133 /nfs/dbraw/zinc/19/51/33/1127195133.db2.gz BPGUSHYYEHXWIK-UHFFFAOYSA-N 1 2 334.448 3.621 20 0 EHADLO O=C1[C@@H]([NH2+][C@H]2CCCc3scnc32)CCN1c1ccc(Cl)cc1 ZINC000623917757 1127214846 /nfs/dbraw/zinc/21/48/46/1127214846.db2.gz YADVTRNTJMTPRQ-KBPBESRZSA-N 1 2 347.871 3.569 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000623904618 1127211829 /nfs/dbraw/zinc/21/18/29/1127211829.db2.gz GIWFNLMMIVOVKL-JTQLQIEISA-N 1 2 328.384 3.912 20 0 EHADLO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Br)cc(F)c1O ZINC000186075438 1127250273 /nfs/dbraw/zinc/25/02/73/1127250273.db2.gz JCARFNQBFGVWDT-VHSXEESVSA-N 1 2 348.256 3.742 20 0 EHADLO C=C(C)COCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186114257 1127285302 /nfs/dbraw/zinc/28/53/02/1127285302.db2.gz JUKGNALZJFLDDR-JTQLQIEISA-N 1 2 332.213 3.537 20 0 EHADLO O=C1NCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181888554 1127301161 /nfs/dbraw/zinc/30/11/61/1127301161.db2.gz LFRABANWCIOIHD-HOTGVXAUSA-N 1 2 335.234 3.561 20 0 EHADLO CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)[C@@H]1c1ccncc1 ZINC000624243896 1127338492 /nfs/dbraw/zinc/33/84/92/1127338492.db2.gz CTQBGPLNMPBWQC-GOSISDBHSA-N 1 2 329.407 3.865 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000182667275 1127342483 /nfs/dbraw/zinc/34/24/83/1127342483.db2.gz IBMQDTLOSQTJCO-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000182667275 1127342487 /nfs/dbraw/zinc/34/24/87/1127342487.db2.gz IBMQDTLOSQTJCO-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000183120521 1127363706 /nfs/dbraw/zinc/36/37/06/1127363706.db2.gz FVWQZPFBHZNMQD-HJPURHCSSA-N 1 2 346.477 3.613 20 0 EHADLO Oc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000183681429 1127383898 /nfs/dbraw/zinc/38/38/98/1127383898.db2.gz OBRFFPGQWKZGKY-UHFFFAOYSA-N 1 2 349.221 3.570 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)n1 ZINC000184156074 1127396124 /nfs/dbraw/zinc/39/61/24/1127396124.db2.gz SHFAAZYBRBSBQW-RYUDHWBXSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)n1 ZINC000184219624 1127398408 /nfs/dbraw/zinc/39/84/08/1127398408.db2.gz XAZKTZIOEQFRNU-ZDUSSCGKSA-N 1 2 325.437 3.894 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1C ZINC000184497647 1127406600 /nfs/dbraw/zinc/40/66/00/1127406600.db2.gz RWALIRBAZQARAP-NSHDSACASA-N 1 2 336.457 3.979 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1nnc2n1CCCCC2 ZINC000368525496 1127415919 /nfs/dbraw/zinc/41/59/19/1127415919.db2.gz DVXMHEBBDCJBEA-AWEZNQCLSA-N 1 2 340.471 3.569 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1nccs1 ZINC000185049428 1127418645 /nfs/dbraw/zinc/41/86/45/1127418645.db2.gz JVAYNDBEUBXUMN-GFCCVEGCSA-N 1 2 327.812 3.615 20 0 EHADLO Cc1csc(C2([NH2+]CN3C(=O)[C@H](C)[C@@H]3c3ccccc3)CCC2)n1 ZINC000764113984 1127444780 /nfs/dbraw/zinc/44/47/80/1127444780.db2.gz SGFQDBUFLGCVAR-GDBMZVCRSA-N 1 2 341.480 3.597 20 0 EHADLO CCn1cnn(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1=S ZINC000764133009 1127448004 /nfs/dbraw/zinc/44/80/04/1127448004.db2.gz SIMXCUHXXQDWMV-UHFFFAOYSA-N 1 2 338.427 3.729 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2ncc3ccccc3c2=O)CC12CCCCC2 ZINC000764957056 1127557889 /nfs/dbraw/zinc/55/78/89/1127557889.db2.gz YLTJEKXZDZTUHR-MRXNPFEDSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2ncc3ccccc3c2=O)CC12CCCCC2 ZINC000764957056 1127557892 /nfs/dbraw/zinc/55/78/92/1127557892.db2.gz YLTJEKXZDZTUHR-MRXNPFEDSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@H]1CCc2c(sc3ncnc(NCCCn4cc[nH+]c4)c32)C1 ZINC000015206480 1127563564 /nfs/dbraw/zinc/56/35/64/1127563564.db2.gz RYRCJMJTMIVCNF-LBPRGKRZSA-N 1 2 327.457 3.515 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)nc1-c1ccccn1 ZINC000765032621 1127565437 /nfs/dbraw/zinc/56/54/37/1127565437.db2.gz FGIWOFMKCIPAMC-GJZGRUSLSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)nc1-c1ccccn1 ZINC000765032621 1127565440 /nfs/dbraw/zinc/56/54/40/1127565440.db2.gz FGIWOFMKCIPAMC-GJZGRUSLSA-N 1 2 345.516 3.964 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765051360 1127567212 /nfs/dbraw/zinc/56/72/12/1127567212.db2.gz DSMFRYBSXUMGEO-QGZVFWFLSA-N 1 2 332.241 3.807 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765051360 1127567215 /nfs/dbraw/zinc/56/72/15/1127567215.db2.gz DSMFRYBSXUMGEO-QGZVFWFLSA-N 1 2 332.241 3.807 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C1(C)CC1 ZINC000765069511 1127569760 /nfs/dbraw/zinc/56/97/60/1127569760.db2.gz ZFYFNJJNJAIADX-AWEZNQCLSA-N 1 2 346.500 3.608 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C1(C)CC1 ZINC000765069511 1127569763 /nfs/dbraw/zinc/56/97/63/1127569763.db2.gz ZFYFNJJNJAIADX-AWEZNQCLSA-N 1 2 346.500 3.608 20 0 EHADLO CC(C)C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000765076504 1127570357 /nfs/dbraw/zinc/57/03/57/1127570357.db2.gz YWDQOHCVMGOUJS-OAHLLOKOSA-N 1 2 345.516 3.871 20 0 EHADLO CC(C)C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000765076504 1127570359 /nfs/dbraw/zinc/57/03/59/1127570359.db2.gz YWDQOHCVMGOUJS-OAHLLOKOSA-N 1 2 345.516 3.871 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccccc2OC(F)(F)F)c1Cl ZINC000921515149 1127618435 /nfs/dbraw/zinc/61/84/35/1127618435.db2.gz ZGXAEHURIOEHKJ-UHFFFAOYSA-N 1 2 333.741 3.570 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2noc(C3CCOCC3)n2)C2CCCC2)cc1 ZINC000171943860 1127633739 /nfs/dbraw/zinc/63/37/39/1127633739.db2.gz BFXXWEOOSGCVSZ-LJQANCHMSA-N 1 2 341.455 3.985 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Cl)o3)n2)C1 ZINC000021495369 1127683448 /nfs/dbraw/zinc/68/34/48/1127683448.db2.gz LXZLJHCSCKXJEH-SNVBAGLBSA-N 1 2 339.848 3.874 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Cl)o3)n2)C1 ZINC000021495369 1127683450 /nfs/dbraw/zinc/68/34/50/1127683450.db2.gz LXZLJHCSCKXJEH-SNVBAGLBSA-N 1 2 339.848 3.874 20 0 EHADLO O=C(Nc1c(F)cccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC001127904290 1127680903 /nfs/dbraw/zinc/68/09/03/1127680903.db2.gz OFEVKIZEGZRYEJ-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO C[C@@H]1CCc2c(sc3ncnc(NCCCn4cc[nH+]c4)c32)C1 ZINC000015206477 1127694882 /nfs/dbraw/zinc/69/48/82/1127694882.db2.gz RYRCJMJTMIVCNF-GFCCVEGCSA-N 1 2 327.457 3.515 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn12 ZINC001127944191 1127744246 /nfs/dbraw/zinc/74/42/46/1127744246.db2.gz ZFTHBUVRYVGYDM-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CC(C)[C@@H]1N(c2nc3ccccc3n3c[nH+]cc23)CC12CCOCC2 ZINC000624279523 1127748759 /nfs/dbraw/zinc/74/87/59/1127748759.db2.gz UWDKDIPHJNHZAK-SFHVURJKSA-N 1 2 336.439 3.524 20 0 EHADLO O=C(CC1CCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026214786 1127770278 /nfs/dbraw/zinc/77/02/78/1127770278.db2.gz NSFNOCURBHTPSP-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1nccn1C ZINC000624289194 1127784676 /nfs/dbraw/zinc/78/46/76/1127784676.db2.gz HBEWLXURIZLQLQ-IINYFYTJSA-N 1 2 328.243 3.501 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCCc3ccccc3C2)cs1)C1CC1 ZINC000172163685 1127795750 /nfs/dbraw/zinc/79/57/50/1127795750.db2.gz PTDMOQUMOMXYPI-UHFFFAOYSA-N 1 2 341.480 3.607 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCCc3ccccc3C2)cs1)C1CC1 ZINC000172163685 1127795753 /nfs/dbraw/zinc/79/57/53/1127795753.db2.gz PTDMOQUMOMXYPI-UHFFFAOYSA-N 1 2 341.480 3.607 20 0 EHADLO c1ccc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)nc2)cc1 ZINC001212350713 1127799902 /nfs/dbraw/zinc/79/99/02/1127799902.db2.gz ZLUPMBNFVLEUPL-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[nH]c2c1 ZINC000029992208 1127812486 /nfs/dbraw/zinc/81/24/86/1127812486.db2.gz ISQZEGDRHKAZAS-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO Fc1cccc(F)c1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600015 1127880986 /nfs/dbraw/zinc/88/09/86/1127880986.db2.gz ZNIKVHMXVLTMGF-UHFFFAOYSA-N 1 2 340.377 3.710 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600015 1127880990 /nfs/dbraw/zinc/88/09/90/1127880990.db2.gz ZNIKVHMXVLTMGF-UHFFFAOYSA-N 1 2 340.377 3.710 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccsc1 ZINC000265636464 1127884954 /nfs/dbraw/zinc/88/49/54/1127884954.db2.gz RWYYZHNYFWGCJC-SNAWJCMRSA-N 1 2 342.464 3.541 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccccc1Cl ZINC000043146925 1127912773 /nfs/dbraw/zinc/91/27/73/1127912773.db2.gz VUBQFPPFWQZVAM-UHFFFAOYSA-N 1 2 330.819 3.657 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000043436216 1127919540 /nfs/dbraw/zinc/91/95/40/1127919540.db2.gz QZAYERIERVFMDW-UHFFFAOYSA-N 1 2 344.418 3.886 20 0 EHADLO C=Cc1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2OC)cc1 ZINC001168576208 1127930064 /nfs/dbraw/zinc/93/00/64/1127930064.db2.gz VYZQALVZEMQMQR-UHFFFAOYSA-N 1 2 338.451 3.783 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000045065451 1127945560 /nfs/dbraw/zinc/94/55/60/1127945560.db2.gz YWNSJVKOEXSXAS-HXUWFJFHSA-N 1 2 347.418 3.858 20 0 EHADLO Cc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1Br ZINC001212360181 1127980363 /nfs/dbraw/zinc/98/03/63/1127980363.db2.gz NVIRYQCRWZWTIW-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1ccc(Br)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212360112 1127980481 /nfs/dbraw/zinc/98/04/81/1127980481.db2.gz JQHKTOFJPXEBKV-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1ccn(-c2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)n1 ZINC000047073426 1128000241 /nfs/dbraw/zinc/00/02/41/1128000241.db2.gz GPROYVRVYOXZMG-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nc(C)cs1 ZINC000265693407 1128008790 /nfs/dbraw/zinc/00/87/90/1128008790.db2.gz GDBGLMNWQHZNJZ-ZDUSSCGKSA-N 1 2 329.429 3.680 20 0 EHADLO CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000056862351 1128030706 /nfs/dbraw/zinc/03/07/06/1128030706.db2.gz GQBNJFAWPKZRLO-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H](c1ccccc1)C1CC1 ZINC000056894973 1128031712 /nfs/dbraw/zinc/03/17/12/1128031712.db2.gz GRDXFUOUXHJLOH-HXUWFJFHSA-N 1 2 346.434 3.823 20 0 EHADLO CC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000057242399 1128042886 /nfs/dbraw/zinc/04/28/86/1128042886.db2.gz HBNGDDNJUSXVGS-HNNXBMFYSA-N 1 2 344.484 3.562 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(O)c1 ZINC000058481883 1128070147 /nfs/dbraw/zinc/07/01/47/1128070147.db2.gz ZSTHPLNCOAOITG-CYBMUJFWSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(O)c1 ZINC000058481883 1128070152 /nfs/dbraw/zinc/07/01/52/1128070152.db2.gz ZSTHPLNCOAOITG-CYBMUJFWSA-N 1 2 345.468 3.641 20 0 EHADLO CCc1ccsc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282207804 1128074433 /nfs/dbraw/zinc/07/44/33/1128074433.db2.gz GFYGQIHTUBFBAS-OAHLLOKOSA-N 1 2 343.496 3.863 20 0 EHADLO CCCc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058958160 1128086319 /nfs/dbraw/zinc/08/63/19/1128086319.db2.gz WAKXREBMLMOGIP-UHFFFAOYSA-N 1 2 326.440 3.932 20 0 EHADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000060464649 1128102951 /nfs/dbraw/zinc/10/29/51/1128102951.db2.gz ICDPAJUWOBRUBC-CQSZACIVSA-N 1 2 334.385 3.983 20 0 EHADLO CCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000108352079 1128130748 /nfs/dbraw/zinc/13/07/48/1128130748.db2.gz SIKNQUCYVFILHO-GOSISDBHSA-N 1 2 334.822 3.603 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)cc(OC)c1O ZINC000347604744 1128131530 /nfs/dbraw/zinc/13/15/30/1128131530.db2.gz DSDDLKFZFPQPQT-LLVKDONJSA-N 1 2 337.366 3.881 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)cc(OC)c1O ZINC000347604744 1128131532 /nfs/dbraw/zinc/13/15/32/1128131532.db2.gz DSDDLKFZFPQPQT-LLVKDONJSA-N 1 2 337.366 3.881 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)NCCNc1cccc[nH+]1 ZINC000063704617 1128153002 /nfs/dbraw/zinc/15/30/02/1128153002.db2.gz FGMGRVOQOLWMLJ-UHFFFAOYSA-N 1 2 346.434 3.691 20 0 EHADLO CCCC1CCC([N@H+](Cc2cc(=O)n3[nH]ccc3n2)C(C)C)CC1 ZINC000108864737 1128163067 /nfs/dbraw/zinc/16/30/67/1128163067.db2.gz AUOAEEONYAHYJH-UHFFFAOYSA-N 1 2 330.476 3.592 20 0 EHADLO CCCC1CCC([N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C(C)C)CC1 ZINC000108864737 1128163068 /nfs/dbraw/zinc/16/30/68/1128163068.db2.gz AUOAEEONYAHYJH-UHFFFAOYSA-N 1 2 330.476 3.592 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000064635187 1128171722 /nfs/dbraw/zinc/17/17/22/1128171722.db2.gz QCYQLVQTPNBPLR-ZDUSSCGKSA-N 1 2 342.405 3.627 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000064635187 1128171726 /nfs/dbraw/zinc/17/17/26/1128171726.db2.gz QCYQLVQTPNBPLR-ZDUSSCGKSA-N 1 2 342.405 3.627 20 0 EHADLO Cc1ccccc1OCCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000065203449 1128186207 /nfs/dbraw/zinc/18/62/07/1128186207.db2.gz XDGYUQWFGUJJSN-MRXNPFEDSA-N 1 2 339.439 3.607 20 0 EHADLO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000065444890 1128190352 /nfs/dbraw/zinc/19/03/52/1128190352.db2.gz XWFWVJXVKIFMJX-INIZCTEOSA-N 1 2 328.460 3.507 20 0 EHADLO CCCCO[C@@H](C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000065535145 1128193649 /nfs/dbraw/zinc/19/36/49/1128193649.db2.gz XGVXPDWPFZMLOG-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000734477091 1131242440 /nfs/dbraw/zinc/24/24/40/1131242440.db2.gz KNBMERGBIPYRQS-FUHWJXTLSA-N 1 2 348.446 3.668 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000734477091 1131242446 /nfs/dbraw/zinc/24/24/46/1131242446.db2.gz KNBMERGBIPYRQS-FUHWJXTLSA-N 1 2 348.446 3.668 20 0 EHADLO COC1CCC([N@H+](C)Cn2nc(C)n(-c3ccccc3)c2=S)CC1 ZINC000734475259 1131242604 /nfs/dbraw/zinc/24/26/04/1131242604.db2.gz LJBKJHDYJHSPHO-UHFFFAOYSA-N 1 2 346.500 3.559 20 0 EHADLO COC1CCC([N@@H+](C)Cn2nc(C)n(-c3ccccc3)c2=S)CC1 ZINC000734475259 1131242606 /nfs/dbraw/zinc/24/26/06/1131242606.db2.gz LJBKJHDYJHSPHO-UHFFFAOYSA-N 1 2 346.500 3.559 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000068421896 1128266104 /nfs/dbraw/zinc/26/61/04/1128266104.db2.gz JLORDQSQGOHFDI-JKSUJKDBSA-N 1 2 343.858 3.847 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000068420782 1128266265 /nfs/dbraw/zinc/26/62/65/1128266265.db2.gz YCGLDMWUVJSSIG-ZIAGYGMSSA-N 1 2 343.393 3.759 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000066610596 1128222314 /nfs/dbraw/zinc/22/23/14/1128222314.db2.gz MYYLKKUDIPDMFO-HZPDHXFCSA-N 1 2 331.504 3.731 20 0 EHADLO Cc1ccnc([C@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)c1 ZINC000624371759 1128230333 /nfs/dbraw/zinc/23/03/33/1128230333.db2.gz WXAVKUSMWAMPPL-HNNXBMFYSA-N 1 2 329.407 3.580 20 0 EHADLO CCC[C@H](C)CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001687461798 1128239572 /nfs/dbraw/zinc/23/95/72/1128239572.db2.gz SURRAZLTGHCRCZ-HOTGVXAUSA-N 1 2 337.533 3.963 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000069631384 1128288917 /nfs/dbraw/zinc/28/89/17/1128288917.db2.gz MUWOSCNYJOHBJF-UHOSZYNNSA-N 1 2 340.471 3.639 20 0 EHADLO CCO[C@@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1=CCCC1 ZINC000073020369 1128314060 /nfs/dbraw/zinc/31/40/60/1128314060.db2.gz YGHBFKFOUTVTQR-SFHVURJKSA-N 1 2 325.412 3.716 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000073991303 1128332908 /nfs/dbraw/zinc/33/29/08/1128332908.db2.gz DZMSBMJRVBQYOO-CYBMUJFWSA-N 1 2 330.457 3.933 20 0 EHADLO Cc1ccc2sc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000356056765 1128349467 /nfs/dbraw/zinc/34/94/67/1128349467.db2.gz LAFNATCAAGAYIF-CQSZACIVSA-N 1 2 339.464 3.963 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H]([C@@H]3CCCCO3)C1)nc1ccccc12 ZINC000624401116 1128350567 /nfs/dbraw/zinc/35/05/67/1128350567.db2.gz KEARIXQXXSVSDH-KXBFYZLASA-N 1 2 336.439 3.668 20 0 EHADLO c1[nH+]cn2c1c(N1CCC([C@H]3CCCCO3)CC1)nc1ccccc12 ZINC000624401373 1128350969 /nfs/dbraw/zinc/35/09/69/1128350969.db2.gz XJCOFNGCKRJLNI-LJQANCHMSA-N 1 2 336.439 3.668 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCO[C@@H](C)C3)cc2)C1(C)C ZINC000765808404 1128416252 /nfs/dbraw/zinc/41/62/52/1128416252.db2.gz HKNMKIDPQKSFCX-KFKAGJAMSA-N 1 2 332.488 3.916 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000624533590 1128387922 /nfs/dbraw/zinc/38/79/22/1128387922.db2.gz WYBWSVQHRGKHEB-UHFFFAOYSA-N 1 2 347.871 3.949 20 0 EHADLO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CCCC1 ZINC000186370604 1128410166 /nfs/dbraw/zinc/41/01/66/1128410166.db2.gz RGYWHSIDCRLJNU-UHFFFAOYSA-N 1 2 328.847 3.513 20 0 EHADLO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CCCC1 ZINC000186370604 1128410168 /nfs/dbraw/zinc/41/01/68/1128410168.db2.gz RGYWHSIDCRLJNU-UHFFFAOYSA-N 1 2 328.847 3.513 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@@H](C)[S@]1=O ZINC000348549028 1128444054 /nfs/dbraw/zinc/44/40/54/1128444054.db2.gz RDAJOVHKJZMUQV-OMXJDXKCSA-N 1 2 331.481 3.986 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@@H](C)[S@]1=O ZINC000348549028 1128444057 /nfs/dbraw/zinc/44/40/57/1128444057.db2.gz RDAJOVHKJZMUQV-OMXJDXKCSA-N 1 2 331.481 3.986 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3O)cc2)[nH+]c1C ZINC000921657933 1128438531 /nfs/dbraw/zinc/43/85/31/1128438531.db2.gz GOLXUPGVHFQQMN-DOTOQJQBSA-N 1 2 327.428 3.573 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H](C)C(=O)OC(C)(C)C)cc2)[nH+]c1C ZINC000921657049 1128438700 /nfs/dbraw/zinc/43/87/00/1128438700.db2.gz WFXOQRUMSQTAQD-NSHDSACASA-N 1 2 343.427 3.610 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn4c(n3)CC[C@H](C)C4)cc2)[nH+]c1C ZINC000921668741 1128448439 /nfs/dbraw/zinc/44/84/39/1128448439.db2.gz JQDAFGIPODMAKG-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO CC[N@H+](CC(=O)NC(C)(C)C(F)(F)F)Cc1ccccc1Cl ZINC000616203550 1128468207 /nfs/dbraw/zinc/46/82/07/1128468207.db2.gz ZVQNLUVDJVCXPG-UHFFFAOYSA-N 1 2 336.785 3.619 20 0 EHADLO CC[N@@H+](CC(=O)NC(C)(C)C(F)(F)F)Cc1ccccc1Cl ZINC000616203550 1128468208 /nfs/dbraw/zinc/46/82/08/1128468208.db2.gz ZVQNLUVDJVCXPG-UHFFFAOYSA-N 1 2 336.785 3.619 20 0 EHADLO O=C(c1csc(Cl)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282288071 1128504022 /nfs/dbraw/zinc/50/40/22/1128504022.db2.gz LGOYRPMJNMAYPL-LBPRGKRZSA-N 1 2 349.887 3.954 20 0 EHADLO CCOCc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000338690872 1128568712 /nfs/dbraw/zinc/56/87/12/1128568712.db2.gz YUMXYEMALMWNDK-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO CCc1ccc([C@H](NC(=O)NCCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000057378097 1128634331 /nfs/dbraw/zinc/63/43/31/1128634331.db2.gz RENTWTJMIMZEDO-LJQANCHMSA-N 1 2 342.487 3.922 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000172586799 1128667594 /nfs/dbraw/zinc/66/75/94/1128667594.db2.gz MCGKPBUJIUDVFU-MRXNPFEDSA-N 1 2 329.419 3.698 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000172586799 1128667596 /nfs/dbraw/zinc/66/75/96/1128667596.db2.gz MCGKPBUJIUDVFU-MRXNPFEDSA-N 1 2 329.419 3.698 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000303835402 1128700884 /nfs/dbraw/zinc/70/08/84/1128700884.db2.gz CEFKXFASAYCIPD-IEBWSBKVSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)(C)CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303849115 1128702684 /nfs/dbraw/zinc/70/26/84/1128702684.db2.gz RLZKQQKIZMWXDT-KRWDZBQOSA-N 1 2 334.529 3.719 20 0 EHADLO C[C@@H](CNc1ncnc2sc3c(c21)CC[C@H](C)C3)Cn1cc[nH+]c1 ZINC000060380088 1128727213 /nfs/dbraw/zinc/72/72/13/1128727213.db2.gz CVQBDDDGQOCKRB-STQMWFEESA-N 1 2 341.484 3.761 20 0 EHADLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347668056 1128752023 /nfs/dbraw/zinc/75/20/23/1128752023.db2.gz HRHQZUPLEREMPQ-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO CCCC[N@H+](CCCO)[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC001168668035 1128754466 /nfs/dbraw/zinc/75/44/66/1128754466.db2.gz WKFHOFCFAKCCJL-HNNXBMFYSA-N 1 2 348.270 3.692 20 0 EHADLO CCCC[N@@H+](CCCO)[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC001168668035 1128754467 /nfs/dbraw/zinc/75/44/67/1128754467.db2.gz WKFHOFCFAKCCJL-HNNXBMFYSA-N 1 2 348.270 3.692 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1sc2cc(F)ccc2c1Cl ZINC000073832201 1128779697 /nfs/dbraw/zinc/77/96/97/1128779697.db2.gz XBEZUWPJTYCKDB-UHFFFAOYSA-N 1 2 349.818 3.931 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146570 1128800766 /nfs/dbraw/zinc/80/07/66/1128800766.db2.gz PFYZUSLXEBWOCR-CQSZACIVSA-N 1 2 349.887 3.540 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672151062 1128805747 /nfs/dbraw/zinc/80/57/47/1128805747.db2.gz VATHVVCXECKAFA-CRAIPNDOSA-N 1 2 325.456 3.631 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@H](C)O1 ZINC000656258500 1128839670 /nfs/dbraw/zinc/83/96/70/1128839670.db2.gz TZUMUWTXGPXWBT-RDJZCZTQSA-N 1 2 346.496 3.663 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@H](C)O1 ZINC000656258500 1128839672 /nfs/dbraw/zinc/83/96/72/1128839672.db2.gz TZUMUWTXGPXWBT-RDJZCZTQSA-N 1 2 346.496 3.663 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371728 1120044404 /nfs/dbraw/zinc/04/44/04/1120044404.db2.gz WUXIVJJZOFNFMC-VQIMIIECSA-N 1 2 326.444 3.857 20 0 EHADLO Cc1cc(C)c(/C=C\CNc2ccc(N3CCOCC3)c[nH+]2)cc1C ZINC001648864337 1120056821 /nfs/dbraw/zinc/05/68/21/1120056821.db2.gz JUZYTMWKXBCCNX-PLNGDYQASA-N 1 2 337.467 3.969 20 0 EHADLO Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000354968888 1128887185 /nfs/dbraw/zinc/88/71/85/1128887185.db2.gz PZEVGAXVQDHYPF-ZDUSSCGKSA-N 1 2 334.876 3.595 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001648894011 1120061929 /nfs/dbraw/zinc/06/19/29/1120061929.db2.gz OLWRAFJJLHNCMF-CRAIPNDOSA-N 1 2 345.874 3.680 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000007811729 1128887458 /nfs/dbraw/zinc/88/74/58/1128887458.db2.gz ISWSWAJKLXRNJG-BETUJISGSA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000007811729 1128887462 /nfs/dbraw/zinc/88/74/62/1128887462.db2.gz ISWSWAJKLXRNJG-BETUJISGSA-N 1 2 339.277 3.674 20 0 EHADLO CN(C)c1nc(C[NH2+]Cc2cnc(-c3cccs3)s2)cs1 ZINC000083473708 1120135349 /nfs/dbraw/zinc/13/53/49/1120135349.db2.gz LYEUMOKRIXFKPZ-UHFFFAOYSA-N 1 2 336.511 3.684 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC000226718830 1120185726 /nfs/dbraw/zinc/18/57/26/1120185726.db2.gz AXAXVXZNOUZIQU-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC000226718830 1120185730 /nfs/dbraw/zinc/18/57/30/1120185730.db2.gz AXAXVXZNOUZIQU-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC/C=C\C2CC2)c(C)c1 ZINC001670849626 1120329805 /nfs/dbraw/zinc/32/98/05/1120329805.db2.gz WXQOMNUNVUOXOG-LLHWWHOWSA-N 1 2 338.455 3.507 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000355256120 1128909658 /nfs/dbraw/zinc/90/96/58/1128909658.db2.gz NTKVMSSFMWYEGC-UHFFFAOYSA-N 1 2 340.235 3.872 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C(=O)NCc2c[nH+]cn2C)cc1F ZINC000355267965 1128909880 /nfs/dbraw/zinc/90/98/80/1128909880.db2.gz OZVYJLKHCVBAER-UHFFFAOYSA-N 1 2 341.361 3.604 20 0 EHADLO CCSc1cccc(CNc2ccc[nH+]c2N2CCOCC2)c1 ZINC000185607906 1120421157 /nfs/dbraw/zinc/42/11/57/1120421157.db2.gz YUDMHTLMXZEBPS-UHFFFAOYSA-N 1 2 329.469 3.642 20 0 EHADLO COCC1=CC[N@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000185856312 1120432647 /nfs/dbraw/zinc/43/26/47/1120432647.db2.gz GDAHUYQCRYQRGM-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000185856312 1120432648 /nfs/dbraw/zinc/43/26/48/1120432648.db2.gz GDAHUYQCRYQRGM-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347674083 1128920090 /nfs/dbraw/zinc/92/00/90/1128920090.db2.gz MUHKTHFUQXAJNZ-INIZCTEOSA-N 1 2 339.361 3.502 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347674083 1128920092 /nfs/dbraw/zinc/92/00/92/1128920092.db2.gz MUHKTHFUQXAJNZ-INIZCTEOSA-N 1 2 339.361 3.502 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494232099 1120511424 /nfs/dbraw/zinc/51/14/24/1120511424.db2.gz XSQQJYNNOSHJQB-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494232099 1120511428 /nfs/dbraw/zinc/51/14/28/1120511428.db2.gz XSQQJYNNOSHJQB-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000153030542 1120535599 /nfs/dbraw/zinc/53/55/99/1120535599.db2.gz RBLVPAZSINVZDT-ZSMUJPCHSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)[C@H](C)CO1 ZINC000189421971 1120583980 /nfs/dbraw/zinc/58/39/80/1120583980.db2.gz QYTVXRWNYXOIQZ-UKRRQHHQSA-N 1 2 349.368 3.674 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)[C@H](C)CO1 ZINC000189421971 1120583984 /nfs/dbraw/zinc/58/39/84/1120583984.db2.gz QYTVXRWNYXOIQZ-UKRRQHHQSA-N 1 2 349.368 3.674 20 0 EHADLO CC(C)c1cccc2c1CCN(C(=O)NCc1ccn3cc[nH+]c3c1)C2 ZINC000191125928 1120662112 /nfs/dbraw/zinc/66/21/12/1120662112.db2.gz XUXVNURAMOYMIH-UHFFFAOYSA-N 1 2 348.450 3.726 20 0 EHADLO Clc1ncccc1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282108063 1120722009 /nfs/dbraw/zinc/72/20/09/1120722009.db2.gz PSHGCVBJQJPFLE-HNNXBMFYSA-N 1 2 330.863 3.647 20 0 EHADLO CCCCN(CC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000193605206 1120787565 /nfs/dbraw/zinc/78/75/65/1120787565.db2.gz DHTSWUXOFJSRSY-IRXDYDNUSA-N 1 2 347.503 3.950 20 0 EHADLO CCN(CC)c1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000761686997 1120801682 /nfs/dbraw/zinc/80/16/82/1120801682.db2.gz NJVQFSBEDJBAJB-GOSISDBHSA-N 1 2 342.487 3.574 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000670097460 1120815637 /nfs/dbraw/zinc/81/56/37/1120815637.db2.gz FVFWXDBEJFMGCN-UHFFFAOYSA-N 1 2 347.418 3.547 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000670097460 1120815639 /nfs/dbraw/zinc/81/56/39/1120815639.db2.gz FVFWXDBEJFMGCN-UHFFFAOYSA-N 1 2 347.418 3.547 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@H+](C/C=C/c3ccncc3)CCO2)cc1 ZINC000494933152 1120904647 /nfs/dbraw/zinc/90/46/47/1120904647.db2.gz FHHIDNBNPTXQNG-KROLTMCQSA-N 1 2 346.377 3.770 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@@H+](C/C=C/c3ccncc3)CCO2)cc1 ZINC000494933152 1120904651 /nfs/dbraw/zinc/90/46/51/1120904651.db2.gz FHHIDNBNPTXQNG-KROLTMCQSA-N 1 2 346.377 3.770 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000494997822 1120929185 /nfs/dbraw/zinc/92/91/85/1120929185.db2.gz PXSSGVXEFYFWHB-AWEZNQCLSA-N 1 2 337.769 3.628 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000494997822 1120929188 /nfs/dbraw/zinc/92/91/88/1120929188.db2.gz PXSSGVXEFYFWHB-AWEZNQCLSA-N 1 2 337.769 3.628 20 0 EHADLO COC(=O)C[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)C1CCCCC1 ZINC000542531824 1120929288 /nfs/dbraw/zinc/92/92/88/1120929288.db2.gz NCQLOOYMJKPIHC-INIZCTEOSA-N 1 2 349.475 3.719 20 0 EHADLO Cc1cc(N2CCCOCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522646734 1120933923 /nfs/dbraw/zinc/93/39/23/1120933923.db2.gz BKJYKDOLRQJWHY-UHFFFAOYSA-N 1 2 326.318 3.669 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)cs2)o1 ZINC000495087245 1120950320 /nfs/dbraw/zinc/95/03/20/1120950320.db2.gz SJDGCPMQWJEFCN-ZDUSSCGKSA-N 1 2 348.468 3.875 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)cs2)o1 ZINC000495087245 1120950321 /nfs/dbraw/zinc/95/03/21/1120950321.db2.gz SJDGCPMQWJEFCN-ZDUSSCGKSA-N 1 2 348.468 3.875 20 0 EHADLO CCCNc1nc(N[C@@H](c2ccccn2)C(F)(F)F)[nH+]cc1C ZINC001168477655 1120958127 /nfs/dbraw/zinc/95/81/27/1120958127.db2.gz IUHMETLYDRFSLW-LBPRGKRZSA-N 1 2 325.338 3.717 20 0 EHADLO CO[C@@H]1CCC[C@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051180 1120998162 /nfs/dbraw/zinc/99/81/62/1120998162.db2.gz WPNLYNOYIHMJHS-WMLDXEAASA-N 1 2 338.411 3.670 20 0 EHADLO Cc1cc(N)nc(SCc2c(F)ccc(Br)c2F)[nH+]1 ZINC000230315072 1121001480 /nfs/dbraw/zinc/00/14/80/1121001480.db2.gz FMSQEJGPZQSEGR-UHFFFAOYSA-N 1 2 346.200 3.700 20 0 EHADLO CCCCCC[N@H+](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000762173355 1121144856 /nfs/dbraw/zinc/14/48/56/1121144856.db2.gz JNCDWCREYOLHGA-UHFFFAOYSA-N 1 2 327.432 3.933 20 0 EHADLO CCCCCC[N@@H+](C)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000762173355 1121144859 /nfs/dbraw/zinc/14/48/59/1121144859.db2.gz JNCDWCREYOLHGA-UHFFFAOYSA-N 1 2 327.432 3.933 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000303684362 1121172805 /nfs/dbraw/zinc/17/28/05/1121172805.db2.gz SVCLZLSHGYTFKQ-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000303684362 1121172806 /nfs/dbraw/zinc/17/28/06/1121172806.db2.gz SVCLZLSHGYTFKQ-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO O[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2F)C1 ZINC001234969305 1121201140 /nfs/dbraw/zinc/20/11/40/1121201140.db2.gz XURPQOGUMZGFFV-LLVKDONJSA-N 1 2 336.632 3.588 20 0 EHADLO O[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2F)C1 ZINC001234969305 1121201142 /nfs/dbraw/zinc/20/11/42/1121201142.db2.gz XURPQOGUMZGFFV-LLVKDONJSA-N 1 2 336.632 3.588 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153513468 1121254534 /nfs/dbraw/zinc/25/45/34/1121254534.db2.gz UZJKUKNKSQPOTG-AWEZNQCLSA-N 1 2 346.500 3.625 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153513468 1121254538 /nfs/dbraw/zinc/25/45/38/1121254538.db2.gz UZJKUKNKSQPOTG-AWEZNQCLSA-N 1 2 346.500 3.625 20 0 EHADLO Cc1ccc(C2=CCN(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000762397065 1121278992 /nfs/dbraw/zinc/27/89/92/1121278992.db2.gz IHGDAKAUPRAHIX-UHFFFAOYSA-N 1 2 346.434 3.642 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000915360624 1121359149 /nfs/dbraw/zinc/35/91/49/1121359149.db2.gz ILPVUJLZGDLQLV-CYBMUJFWSA-N 1 2 341.789 3.975 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000915360624 1121359156 /nfs/dbraw/zinc/35/91/56/1121359156.db2.gz ILPVUJLZGDLQLV-CYBMUJFWSA-N 1 2 341.789 3.975 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 ZINC000053718186 1121418169 /nfs/dbraw/zinc/41/81/69/1121418169.db2.gz NTGRWNPBBOBPLQ-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(Cl)cn1 ZINC000053718186 1121418171 /nfs/dbraw/zinc/41/81/71/1121418171.db2.gz NTGRWNPBBOBPLQ-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO O[C@H](C[N@@H+]1CCOCC12CCCC2)c1ccc(Cl)cc1Cl ZINC000762925923 1121526238 /nfs/dbraw/zinc/52/62/38/1121526238.db2.gz JEBYMRVCELQKHI-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO O[C@H](C[N@H+]1CCOCC12CCCC2)c1ccc(Cl)cc1Cl ZINC000762925923 1121526241 /nfs/dbraw/zinc/52/62/41/1121526241.db2.gz JEBYMRVCELQKHI-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000495849204 1121544842 /nfs/dbraw/zinc/54/48/42/1121544842.db2.gz MTERTCMLYZOOOL-MRXNPFEDSA-N 1 2 346.427 3.566 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000495849204 1121544850 /nfs/dbraw/zinc/54/48/50/1121544850.db2.gz MTERTCMLYZOOOL-MRXNPFEDSA-N 1 2 346.427 3.566 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000915680207 1121587464 /nfs/dbraw/zinc/58/74/64/1121587464.db2.gz WZNFFDBPJYVQRN-HXUWFJFHSA-N 1 2 333.439 3.780 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000915680207 1121587472 /nfs/dbraw/zinc/58/74/72/1121587472.db2.gz WZNFFDBPJYVQRN-HXUWFJFHSA-N 1 2 333.439 3.780 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Br)cc1 ZINC000393517507 1121643325 /nfs/dbraw/zinc/64/33/25/1121643325.db2.gz QTIVAMGKNOWVPI-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO O=C(CCCOc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225156 1121749767 /nfs/dbraw/zinc/74/97/67/1121749767.db2.gz LDYVFFYUSHFEJL-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO O=C(CSc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224842 1121750005 /nfs/dbraw/zinc/75/00/05/1121750005.db2.gz DMIXRVUCMAZBID-UHFFFAOYSA-N 1 2 345.374 3.881 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225502 1121750760 /nfs/dbraw/zinc/75/07/60/1121750760.db2.gz DVVUBSHEIDHUBG-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CC(C)c1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)c(C(C)C)c1 ZINC000171772663 1121774153 /nfs/dbraw/zinc/77/41/53/1121774153.db2.gz VMDGGAMFZRVLEU-UHFFFAOYSA-N 1 2 347.503 3.729 20 0 EHADLO CC(C)[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000054975814 1121787514 /nfs/dbraw/zinc/78/75/14/1121787514.db2.gz FPPLFNCFXPXMED-INIZCTEOSA-N 1 2 334.851 3.623 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444096516 1121795490 /nfs/dbraw/zinc/79/54/90/1121795490.db2.gz PUCSLLHRSAFRLN-GOSISDBHSA-N 1 2 340.471 3.633 20 0 EHADLO CCSCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000055199991 1121803962 /nfs/dbraw/zinc/80/39/62/1121803962.db2.gz GMHYYXIJOGUWIZ-UHFFFAOYSA-N 1 2 347.509 3.636 20 0 EHADLO CCSCc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000055199991 1121803972 /nfs/dbraw/zinc/80/39/72/1121803972.db2.gz GMHYYXIJOGUWIZ-UHFFFAOYSA-N 1 2 347.509 3.636 20 0 EHADLO CC1C[NH+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000670270677 1121908222 /nfs/dbraw/zinc/90/82/22/1121908222.db2.gz AYFWLLFWOUVAOP-UHFFFAOYSA-N 1 2 347.256 3.875 20 0 EHADLO FC(F)(F)c1ccccc1C1=CC[N@H+](Cn2cc[nH]c2=S)CC1 ZINC000763235844 1121917428 /nfs/dbraw/zinc/91/74/28/1121917428.db2.gz YKDFURCZSIBNBV-UHFFFAOYSA-N 1 2 339.386 3.937 20 0 EHADLO FC(F)(F)c1ccccc1C1=CC[N@@H+](Cn2cc[nH]c2=S)CC1 ZINC000763235844 1121917437 /nfs/dbraw/zinc/91/74/37/1121917437.db2.gz YKDFURCZSIBNBV-UHFFFAOYSA-N 1 2 339.386 3.937 20 0 EHADLO COC(=O)CC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccccc1 ZINC000065236497 1129020110 /nfs/dbraw/zinc/02/01/10/1129020110.db2.gz JYYLHSHXXSHHPY-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccccc1 ZINC000065236497 1129020115 /nfs/dbraw/zinc/02/01/15/1129020115.db2.gz JYYLHSHXXSHHPY-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCCCn1cc[nH+]c1 ZINC000763294628 1121947397 /nfs/dbraw/zinc/94/73/97/1121947397.db2.gz UTXHQNICNHMPSF-UHFFFAOYSA-N 1 2 345.399 3.701 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CCCCCCC1 ZINC000915884989 1121948857 /nfs/dbraw/zinc/94/88/57/1121948857.db2.gz ZEYLVZNRSBVOQD-UHFFFAOYSA-N 1 2 340.471 3.844 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000763303981 1121952551 /nfs/dbraw/zinc/95/25/51/1121952551.db2.gz KARYNJNVLQZNCH-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000916152607 1122081933 /nfs/dbraw/zinc/08/19/33/1122081933.db2.gz VMULTKDWOYUDMX-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000916152607 1122081936 /nfs/dbraw/zinc/08/19/36/1122081936.db2.gz VMULTKDWOYUDMX-CABCVRRESA-N 1 2 336.435 3.836 20 0 EHADLO C[C@H](CC(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000496817345 1122191291 /nfs/dbraw/zinc/19/12/91/1122191291.db2.gz RDWILLNXOOVRGI-CYBMUJFWSA-N 1 2 345.399 3.787 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123464817 1122235591 /nfs/dbraw/zinc/23/55/91/1122235591.db2.gz FPFYFBKDKCHHRR-TXPKVOOTSA-N 1 2 325.456 3.659 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000123917069 1122268135 /nfs/dbraw/zinc/26/81/35/1122268135.db2.gz ZHNUMKIRUQTRNB-MRXNPFEDSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1F ZINC000126244289 1122397831 /nfs/dbraw/zinc/39/78/31/1122397831.db2.gz YLPGKUNOYROYQO-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000916995122 1122432402 /nfs/dbraw/zinc/43/24/02/1122432402.db2.gz JTMYIMMTDAPIGO-UHFFFAOYSA-N 1 2 332.407 3.729 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000916995122 1122432405 /nfs/dbraw/zinc/43/24/05/1122432405.db2.gz JTMYIMMTDAPIGO-UHFFFAOYSA-N 1 2 332.407 3.729 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CCO2)c1 ZINC000066848488 1122488154 /nfs/dbraw/zinc/48/81/54/1122488154.db2.gz RUBQCZYBJJPPCD-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CCO2)c1 ZINC000066848488 1122488158 /nfs/dbraw/zinc/48/81/58/1122488158.db2.gz RUBQCZYBJJPPCD-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO CC1CCC([N@H+](Cn2ncc(Cl)c(Cl)c2=O)C2CC2)CC1 ZINC000917438655 1122602610 /nfs/dbraw/zinc/60/26/10/1122602610.db2.gz ZZDUDBSRKXNKNW-UHFFFAOYSA-N 1 2 330.259 3.551 20 0 EHADLO CC1CCC([N@@H+](Cn2ncc(Cl)c(Cl)c2=O)C2CC2)CC1 ZINC000917438655 1122602612 /nfs/dbraw/zinc/60/26/12/1122602612.db2.gz ZZDUDBSRKXNKNW-UHFFFAOYSA-N 1 2 330.259 3.551 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000917462052 1122608111 /nfs/dbraw/zinc/60/81/11/1122608111.db2.gz DAYXBQCTZMCSMC-UHFFFAOYSA-N 1 2 348.874 3.829 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000917462052 1122608114 /nfs/dbraw/zinc/60/81/14/1122608114.db2.gz DAYXBQCTZMCSMC-UHFFFAOYSA-N 1 2 348.874 3.829 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000917487533 1122618849 /nfs/dbraw/zinc/61/88/49/1122618849.db2.gz SHXSJNFZFKXKQM-UHFFFAOYSA-N 1 2 335.473 3.577 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000917487533 1122618852 /nfs/dbraw/zinc/61/88/52/1122618852.db2.gz SHXSJNFZFKXKQM-UHFFFAOYSA-N 1 2 335.473 3.577 20 0 EHADLO COc1ccc(-c2nnc(NCc3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000128853425 1122681543 /nfs/dbraw/zinc/68/15/43/1122681543.db2.gz IPZMMJCKJZFWIA-UHFFFAOYSA-N 1 2 347.378 3.543 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000068904318 1122722019 /nfs/dbraw/zinc/72/20/19/1122722019.db2.gz AEFQTKPBGQFOIW-INIZCTEOSA-N 1 2 325.391 3.846 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CCCCC34CCCC4)[nH]2)cc1 ZINC000556178441 1122861776 /nfs/dbraw/zinc/86/17/76/1122861776.db2.gz CNZBVDITSINNNG-KRWDZBQOSA-N 1 2 340.471 3.976 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000498334389 1122869783 /nfs/dbraw/zinc/86/97/83/1122869783.db2.gz ISXPFADJMVUZHU-IRXDYDNUSA-N 1 2 325.456 3.878 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 ZINC000444909352 1122872478 /nfs/dbraw/zinc/87/24/78/1122872478.db2.gz HLPLKQBWRRFNAE-GFCCVEGCSA-N 1 2 347.488 3.586 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000918663428 1122878255 /nfs/dbraw/zinc/87/82/55/1122878255.db2.gz NTEIAKNJAZUJPT-WTKPLQERSA-N 1 2 337.354 3.672 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130139671 1122896064 /nfs/dbraw/zinc/89/60/64/1122896064.db2.gz PAVIZLFPQAEAEE-HOCLYGCPSA-N 1 2 331.485 3.685 20 0 EHADLO CC(C)c1ncc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)s1 ZINC000130279424 1122924587 /nfs/dbraw/zinc/92/45/87/1122924587.db2.gz GFAGHJJEUVJNAY-UHFFFAOYSA-N 1 2 336.892 3.637 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCSC(C)(C)C)CC1 ZINC000154921220 1122996103 /nfs/dbraw/zinc/99/61/03/1122996103.db2.gz QXDUXBPGHHSIND-INIZCTEOSA-N 1 2 349.544 3.599 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072026151 1123034218 /nfs/dbraw/zinc/03/42/18/1123034218.db2.gz WVZVTYNXIYXZIW-INIZCTEOSA-N 1 2 328.460 3.888 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000919462845 1123066768 /nfs/dbraw/zinc/06/67/68/1123066768.db2.gz OHPZQVIWCSNGAB-OAHLLOKOSA-N 1 2 332.492 3.882 20 0 EHADLO O=C(Cc1c[nH]c2ccccc12)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556859386 1123155156 /nfs/dbraw/zinc/15/51/56/1123155156.db2.gz DDNWENXERCHJSU-QAQDUYKDSA-N 1 2 348.450 3.645 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(N)ncc1Br ZINC001236245170 1123163214 /nfs/dbraw/zinc/16/32/14/1123163214.db2.gz QCNDGNIYKKVHPX-UHFFFAOYSA-N 1 2 334.261 3.757 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(N)ncc1Br ZINC001236245170 1123163216 /nfs/dbraw/zinc/16/32/16/1123163216.db2.gz QCNDGNIYKKVHPX-UHFFFAOYSA-N 1 2 334.261 3.757 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)o1 ZINC000132346258 1123220749 /nfs/dbraw/zinc/22/07/49/1123220749.db2.gz GIHBMMMNWPENAF-MRXNPFEDSA-N 1 2 326.400 3.774 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000919948763 1123236104 /nfs/dbraw/zinc/23/61/04/1123236104.db2.gz ZPOOJSGQCRYNFX-MRXNPFEDSA-N 1 2 331.485 3.681 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000919948763 1123236107 /nfs/dbraw/zinc/23/61/07/1123236107.db2.gz ZPOOJSGQCRYNFX-MRXNPFEDSA-N 1 2 331.485 3.681 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543020555 1129112408 /nfs/dbraw/zinc/11/24/08/1129112408.db2.gz FJCRIPRDOPYSRF-WMZOPIPTSA-N 1 2 348.368 3.669 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543020555 1129112410 /nfs/dbraw/zinc/11/24/10/1129112410.db2.gz FJCRIPRDOPYSRF-WMZOPIPTSA-N 1 2 348.368 3.669 20 0 EHADLO c1csc(CNc2nnc(SCCCn3cc[nH+]c3)s2)c1 ZINC000920226368 1123342078 /nfs/dbraw/zinc/34/20/78/1123342078.db2.gz HQBUOKCYFKAECO-UHFFFAOYSA-N 1 2 337.499 3.591 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000920244173 1123346516 /nfs/dbraw/zinc/34/65/16/1123346516.db2.gz NFIBEPBTFLALOX-FCEWJHQRSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000920244173 1123346521 /nfs/dbraw/zinc/34/65/21/1123346521.db2.gz NFIBEPBTFLALOX-FCEWJHQRSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000920244184 1123346859 /nfs/dbraw/zinc/34/68/59/1123346859.db2.gz NFIBEPBTFLALOX-MDZRGWNJSA-N 1 2 332.488 3.882 20 0 EHADLO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)CC(F)F ZINC000133327558 1123384206 /nfs/dbraw/zinc/38/42/06/1123384206.db2.gz JNTCUPJBPYCCGA-UHFFFAOYSA-N 1 2 334.794 3.654 20 0 EHADLO CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)CC(F)F ZINC000133327558 1123384209 /nfs/dbraw/zinc/38/42/09/1123384209.db2.gz JNTCUPJBPYCCGA-UHFFFAOYSA-N 1 2 334.794 3.654 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022468 1129118615 /nfs/dbraw/zinc/11/86/15/1129118615.db2.gz XGRCNHNMUAQXIC-YJBOKZPZSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022468 1129118618 /nfs/dbraw/zinc/11/86/18/1129118618.db2.gz XGRCNHNMUAQXIC-YJBOKZPZSA-N 1 2 342.405 3.792 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000075402722 1123394827 /nfs/dbraw/zinc/39/48/27/1123394827.db2.gz KLMOOPMQFYNDIF-VMPITWQZSA-N 1 2 341.480 3.919 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000920766983 1123422277 /nfs/dbraw/zinc/42/22/77/1123422277.db2.gz AWAJQMCVPDELSF-QZTJIDSGSA-N 1 2 325.456 3.534 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868256 1123434836 /nfs/dbraw/zinc/43/48/36/1123434836.db2.gz MIPWHMLPGWCYNV-HUUCEWRRSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868256 1123434838 /nfs/dbraw/zinc/43/48/38/1123434838.db2.gz MIPWHMLPGWCYNV-HUUCEWRRSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921150438 1123472217 /nfs/dbraw/zinc/47/22/17/1123472217.db2.gz UDKHPNWLQGYKMX-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000921478324 1123549756 /nfs/dbraw/zinc/54/97/56/1123549756.db2.gz GSBHHLQFVLJZBO-HNNXBMFYSA-N 1 2 331.460 3.882 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265429 1123643920 /nfs/dbraw/zinc/64/39/20/1123643920.db2.gz QRWDVKXFVLDACJ-JSGCOSHPSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265429 1123643922 /nfs/dbraw/zinc/64/39/22/1123643922.db2.gz QRWDVKXFVLDACJ-JSGCOSHPSA-N 1 2 334.514 3.576 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800764 1123664270 /nfs/dbraw/zinc/66/42/70/1123664270.db2.gz RTPOARMITRMDKJ-ZWKOTPCHSA-N 1 2 327.449 3.691 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800764 1123664271 /nfs/dbraw/zinc/66/42/71/1123664271.db2.gz RTPOARMITRMDKJ-ZWKOTPCHSA-N 1 2 327.449 3.691 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2cnc(Cl)s2)cc1OC ZINC000175403591 1123675038 /nfs/dbraw/zinc/67/50/38/1123675038.db2.gz GUQGLEPGVNOMJZ-UHFFFAOYSA-N 1 2 326.849 3.754 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2cnc(Cl)s2)cc1OC ZINC000175403591 1123675039 /nfs/dbraw/zinc/67/50/39/1123675039.db2.gz GUQGLEPGVNOMJZ-UHFFFAOYSA-N 1 2 326.849 3.754 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000564345765 1123678926 /nfs/dbraw/zinc/67/89/26/1123678926.db2.gz CYQMEEJWJWVGFF-OAHLLOKOSA-N 1 2 341.455 3.616 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000564345765 1123678930 /nfs/dbraw/zinc/67/89/30/1123678930.db2.gz CYQMEEJWJWVGFF-OAHLLOKOSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000615308780 1123777519 /nfs/dbraw/zinc/77/75/19/1123777519.db2.gz UJCQIADWHUUDJI-UONOGXRCSA-N 1 2 338.411 3.764 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543041370 1129147668 /nfs/dbraw/zinc/14/76/68/1129147668.db2.gz NFDKTGRXVMWISK-MJGOQNOKSA-N 1 2 346.519 3.911 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccccc1 ZINC000245443841 1123828858 /nfs/dbraw/zinc/82/88/58/1123828858.db2.gz XMBABJVDIXNPNT-MGPUTAFESA-N 1 2 338.455 3.630 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccccc1 ZINC000245443841 1123828865 /nfs/dbraw/zinc/82/88/65/1123828865.db2.gz XMBABJVDIXNPNT-MGPUTAFESA-N 1 2 338.455 3.630 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245618043 1123898679 /nfs/dbraw/zinc/89/86/79/1123898679.db2.gz VXNHSTIQOKIAAB-LSDHHAIUSA-N 1 2 326.843 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245618043 1123898684 /nfs/dbraw/zinc/89/86/84/1123898684.db2.gz VXNHSTIQOKIAAB-LSDHHAIUSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@H](CNC(=O)CC1CCC(c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000081798572 1123904124 /nfs/dbraw/zinc/90/41/24/1123904124.db2.gz VWWDPOZKBUUFPU-PGYGNJIDSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@@H](CNC(=O)CC1CCC(c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000081798570 1123904266 /nfs/dbraw/zinc/90/42/66/1123904266.db2.gz VWWDPOZKBUUFPU-ZJRDLVKKSA-N 1 2 339.483 4.000 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000081799967 1123904797 /nfs/dbraw/zinc/90/47/97/1123904797.db2.gz OYXJPAGLMNMQKH-DLBZAZTESA-N 1 2 327.472 3.953 20 0 EHADLO CCC(C)(C)C1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000615909441 1123905412 /nfs/dbraw/zinc/90/54/12/1123905412.db2.gz KGJFZCMBRIPEAO-UHFFFAOYSA-N 1 2 334.508 3.958 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(F)c(Cl)cc1F ZINC000138495549 1123944531 /nfs/dbraw/zinc/94/45/31/1123944531.db2.gz DXGWBRHAKREJED-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO Cc1cccn2c(CN3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000245810916 1123955426 /nfs/dbraw/zinc/95/54/26/1123955426.db2.gz ZJFPRJKGOJCUCP-HNAYVOBHSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000245810916 1123955430 /nfs/dbraw/zinc/95/54/30/1123955430.db2.gz ZJFPRJKGOJCUCP-HNAYVOBHSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000245810916 1123955433 /nfs/dbraw/zinc/95/54/33/1123955433.db2.gz ZJFPRJKGOJCUCP-HNAYVOBHSA-N 1 2 339.414 3.744 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCc2ccccc21 ZINC000180243447 1123969155 /nfs/dbraw/zinc/96/91/55/1123969155.db2.gz HOMPLBLEPAJKGP-GOSISDBHSA-N 1 2 331.843 3.918 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCc2ccccc21 ZINC000180243447 1123969160 /nfs/dbraw/zinc/96/91/60/1123969160.db2.gz HOMPLBLEPAJKGP-GOSISDBHSA-N 1 2 331.843 3.918 20 0 EHADLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)ccc1C(F)(F)F ZINC000616363353 1123989048 /nfs/dbraw/zinc/98/90/48/1123989048.db2.gz QCFPWSNXZHWPCL-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)c(C)c2)C12CCC2 ZINC000180426457 1124006161 /nfs/dbraw/zinc/00/61/61/1124006161.db2.gz OWBKPQIEEPWHNO-MOPGFXCFSA-N 1 2 330.472 3.591 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616548263 1124021912 /nfs/dbraw/zinc/02/19/12/1124021912.db2.gz NVPQCAAUERJDPY-HZPDHXFCSA-N 1 2 337.423 3.545 20 0 EHADLO CO[C@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C12CCC2 ZINC000453178690 1129173048 /nfs/dbraw/zinc/17/30/48/1129173048.db2.gz IBSCHSKCFIEDBD-MOPGFXCFSA-N 1 2 335.451 3.971 20 0 EHADLO CC[C@H](C)[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000673083895 1129177547 /nfs/dbraw/zinc/17/75/47/1129177547.db2.gz DBGCWQZRQIWIKL-KRWDZBQOSA-N 1 2 335.455 3.522 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000673083895 1129177551 /nfs/dbraw/zinc/17/75/51/1129177551.db2.gz DBGCWQZRQIWIKL-KRWDZBQOSA-N 1 2 335.455 3.522 20 0 EHADLO CCCCC[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000734543424 1131251301 /nfs/dbraw/zinc/25/13/01/1131251301.db2.gz WPDQLJISEJUFEQ-KRWDZBQOSA-N 1 2 346.519 3.908 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249148 1124452556 /nfs/dbraw/zinc/45/25/56/1124452556.db2.gz SYYFELSPJYBATD-LSDHHAIUSA-N 1 2 339.505 3.517 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249148 1124452557 /nfs/dbraw/zinc/45/25/57/1124452557.db2.gz SYYFELSPJYBATD-LSDHHAIUSA-N 1 2 339.505 3.517 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1)c1cccs1 ZINC000247685913 1124622675 /nfs/dbraw/zinc/62/26/75/1124622675.db2.gz UZZTWXQWCFHCEM-KFWWJZLASA-N 1 2 332.469 3.992 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1)c1cccs1 ZINC000247685913 1124622678 /nfs/dbraw/zinc/62/26/78/1124622678.db2.gz UZZTWXQWCFHCEM-KFWWJZLASA-N 1 2 332.469 3.992 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CCCSCC3)cs2)cc1 ZINC000089982771 1124880487 /nfs/dbraw/zinc/88/04/87/1124880487.db2.gz XJVOIVWVFFKDKS-UHFFFAOYSA-N 1 2 334.510 3.969 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CCCSCC3)cs2)cc1 ZINC000089982771 1124880493 /nfs/dbraw/zinc/88/04/93/1124880493.db2.gz XJVOIVWVFFKDKS-UHFFFAOYSA-N 1 2 334.510 3.969 20 0 EHADLO CC1(C)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC(C)(C)C1 ZINC000618281017 1125041907 /nfs/dbraw/zinc/04/19/07/1125041907.db2.gz NNONOEGCNLCFDL-UHFFFAOYSA-N 1 2 326.444 3.556 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000181832432 1125056883 /nfs/dbraw/zinc/05/68/83/1125056883.db2.gz WVSAMJIGSKJUIG-NSHDSACASA-N 1 2 333.319 3.801 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@](C)(CO)C1 ZINC001236846484 1125058093 /nfs/dbraw/zinc/05/80/93/1125058093.db2.gz BVWXQONYARFRTE-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@](C)(CO)C1 ZINC001236846484 1125058100 /nfs/dbraw/zinc/05/81/00/1125058100.db2.gz BVWXQONYARFRTE-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO Cc1noc(C)c1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449317 1125085808 /nfs/dbraw/zinc/08/58/08/1125085808.db2.gz GCNDFHRTAOIZSS-UWVGGRQHSA-N 1 2 330.272 3.854 20 0 EHADLO CCN(CC)c1ccc(C[NH2+]Cc2occc2Br)cn1 ZINC000735324484 1131332562 /nfs/dbraw/zinc/33/25/62/1131332562.db2.gz MWFNVRCKHQLMJK-UHFFFAOYSA-N 1 2 338.249 3.573 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000618608645 1125122331 /nfs/dbraw/zinc/12/23/31/1125122331.db2.gz HPOLCXJBURHPHG-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000618608645 1125122335 /nfs/dbraw/zinc/12/23/35/1125122335.db2.gz HPOLCXJBURHPHG-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO C[NH+](C)c1ccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000182696322 1125353630 /nfs/dbraw/zinc/35/36/30/1125353630.db2.gz NJCIHJQRNJFNMO-HNNXBMFYSA-N 1 2 333.476 3.954 20 0 EHADLO CN(C)c1ccc([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000182696322 1125353632 /nfs/dbraw/zinc/35/36/32/1125353632.db2.gz NJCIHJQRNJFNMO-HNNXBMFYSA-N 1 2 333.476 3.954 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000615334505 1125365860 /nfs/dbraw/zinc/36/58/60/1125365860.db2.gz KQEXDJOODOPYTE-ZJUUUORDSA-N 1 2 340.320 3.921 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000255043133 1125366899 /nfs/dbraw/zinc/36/68/99/1125366899.db2.gz ZSGVEWGEEGHOHX-JEZWAEDTSA-N 1 2 340.471 3.585 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCC(F)CC1 ZINC000619955198 1125435468 /nfs/dbraw/zinc/43/54/68/1125435468.db2.gz GHRSTKZMSLGWOT-NXVRBGIVSA-N 1 2 329.419 3.578 20 0 EHADLO Cn1c[nH+]cc1COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000085988547 1129187830 /nfs/dbraw/zinc/18/78/30/1129187830.db2.gz JRXJQVYSTFMMEX-GORDUTHDSA-N 1 2 344.720 3.849 20 0 EHADLO O=C1NCCC[C@@H]1[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543151046 1129288784 /nfs/dbraw/zinc/28/87/84/1129288784.db2.gz KNHOBCSRWNTICJ-DLBZAZTESA-N 1 2 349.261 3.951 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000466226274 1129318053 /nfs/dbraw/zinc/31/80/53/1129318053.db2.gz MSJACBHMZNSUHL-QGZVFWFLSA-N 1 2 344.503 3.840 20 0 EHADLO Nc1[nH+]cccc1COC(=O)c1ccc(C2SCCCS2)cc1 ZINC000922199153 1129337725 /nfs/dbraw/zinc/33/77/25/1129337725.db2.gz GZYGKHJGCBSGPI-UHFFFAOYSA-N 1 2 346.477 3.890 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]Cc2noc(C3CCCCC3)n2)C12CCCC2 ZINC000347698361 1129346063 /nfs/dbraw/zinc/34/60/63/1129346063.db2.gz DYDGZWWBJRVZPI-JKSUJKDBSA-N 1 2 333.476 3.945 20 0 EHADLO CCCCS[C@H](C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081317491 1129413094 /nfs/dbraw/zinc/41/30/94/1129413094.db2.gz CPUQWKMNDZRWIY-WBVHZDCISA-N 1 2 345.512 3.742 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000081325045 1129414124 /nfs/dbraw/zinc/41/41/24/1129414124.db2.gz SORNUWQQTNPLEB-FQEVSTJZSA-N 1 2 347.462 3.843 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000069394374 1129447506 /nfs/dbraw/zinc/44/75/06/1129447506.db2.gz CASDIIZHEKYSRR-INIZCTEOSA-N 1 2 333.435 3.855 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Cl)cc1Br ZINC000158251542 1129476456 /nfs/dbraw/zinc/47/64/56/1129476456.db2.gz XSIYTTWHDPABPV-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000118052132 1129485280 /nfs/dbraw/zinc/48/52/80/1129485280.db2.gz GGZZBVMHYMRYSY-IEBWSBKVSA-N 1 2 340.471 3.907 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@@H+](CCO[C@@H]1CCCCO1)C2 ZINC000543444312 1129492156 /nfs/dbraw/zinc/49/21/56/1129492156.db2.gz JXFNIVUTFGIOHN-MRXNPFEDSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@H+](CCO[C@@H]1CCCCO1)C2 ZINC000543444312 1129492157 /nfs/dbraw/zinc/49/21/57/1129492157.db2.gz JXFNIVUTFGIOHN-MRXNPFEDSA-N 1 2 330.255 3.895 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454764 1129515873 /nfs/dbraw/zinc/51/58/73/1129515873.db2.gz YHRNONDXPSMJTD-DYVFJYSZSA-N 1 2 327.428 3.551 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454764 1129515877 /nfs/dbraw/zinc/51/58/77/1129515877.db2.gz YHRNONDXPSMJTD-DYVFJYSZSA-N 1 2 327.428 3.551 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2c(Cl)ccc3cccnc32)n1 ZINC000922490759 1129548797 /nfs/dbraw/zinc/54/87/97/1129548797.db2.gz RIMKIKBHGJDQPM-UHFFFAOYSA-N 1 2 346.887 3.696 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000922525993 1129562473 /nfs/dbraw/zinc/56/24/73/1129562473.db2.gz OYCHEIWQPGNYSE-KBXCAEBGSA-N 1 2 327.359 3.540 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922582670 1129582109 /nfs/dbraw/zinc/58/21/09/1129582109.db2.gz PHESPTJWHCOXTN-OAHLLOKOSA-N 1 2 336.208 3.619 20 0 EHADLO CCC[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC000922659238 1129618105 /nfs/dbraw/zinc/61/81/05/1129618105.db2.gz MWSVIDMMAXMGHY-ICSRJNTNSA-N 1 2 348.450 3.720 20 0 EHADLO CC(C)Oc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000265882062 1129629141 /nfs/dbraw/zinc/62/91/41/1129629141.db2.gz OPZCEGXLCAONAW-UHFFFAOYSA-N 1 2 347.480 3.509 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000265882062 1129629145 /nfs/dbraw/zinc/62/91/45/1129629145.db2.gz OPZCEGXLCAONAW-UHFFFAOYSA-N 1 2 347.480 3.509 20 0 EHADLO Clc1cc2c(c(C[NH2+]Cc3nc4c(s3)CCCC4)c1)OCC2 ZINC000922697145 1129630083 /nfs/dbraw/zinc/63/00/83/1129630083.db2.gz RLUMOPRIWPHFOD-UHFFFAOYSA-N 1 2 334.872 3.900 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1cc(C)ccc1OC(F)F)C1CCC1 ZINC000428959027 1129639372 /nfs/dbraw/zinc/63/93/72/1129639372.db2.gz WWCCWQPSSKMBJM-LBPRGKRZSA-N 1 2 327.371 3.512 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CCC1 ZINC000428959027 1129639374 /nfs/dbraw/zinc/63/93/74/1129639374.db2.gz WWCCWQPSSKMBJM-LBPRGKRZSA-N 1 2 327.371 3.512 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2n[nH]c3ccccc32)c(C)c1OC ZINC000673617614 1129667670 /nfs/dbraw/zinc/66/76/70/1129667670.db2.gz LRLCCLSVHOWYQY-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(F)cn1 ZINC000428994153 1129676442 /nfs/dbraw/zinc/67/64/42/1129676442.db2.gz OLCFLGIUIZTOLT-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(F)cn1 ZINC000428994153 1129676444 /nfs/dbraw/zinc/67/64/44/1129676444.db2.gz OLCFLGIUIZTOLT-GFCCVEGCSA-N 1 2 337.801 3.724 20 0 EHADLO Cc1cnc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)s1 ZINC000428994207 1129677113 /nfs/dbraw/zinc/67/71/13/1129677113.db2.gz OVTHZAZNMFQTPR-LLVKDONJSA-N 1 2 339.867 3.955 20 0 EHADLO Cc1cnc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)s1 ZINC000428994207 1129677114 /nfs/dbraw/zinc/67/71/14/1129677114.db2.gz OVTHZAZNMFQTPR-LLVKDONJSA-N 1 2 339.867 3.955 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(C)o1 ZINC000347767676 1129703671 /nfs/dbraw/zinc/70/36/71/1129703671.db2.gz FMSVOXPHSLJHQD-CQSZACIVSA-N 1 2 338.411 3.643 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)CCOc3ccc(F)cc3)n2)c1 ZINC000509055356 1129705140 /nfs/dbraw/zinc/70/51/40/1129705140.db2.gz SSDRZLWRNVBLHZ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)CCOc3ccc(F)cc3)n2)c1 ZINC000509055356 1129705142 /nfs/dbraw/zinc/70/51/42/1129705142.db2.gz SSDRZLWRNVBLHZ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)n1 ZINC000625032612 1129711661 /nfs/dbraw/zinc/71/16/61/1129711661.db2.gz CTMWRHVSPMTNSD-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3[C@@H]4c5ccc(Cl)cc5C[C@H]34)ccc2[nH+]1 ZINC000625062047 1129719813 /nfs/dbraw/zinc/71/98/13/1129719813.db2.gz JTCCEWPHCRZTJN-CGTJXYLNSA-N 1 2 337.810 3.821 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000673653090 1129762476 /nfs/dbraw/zinc/76/24/76/1129762476.db2.gz XMGQQNQKVOIYHD-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000429110720 1129781041 /nfs/dbraw/zinc/78/10/41/1129781041.db2.gz AXDPUGLLGLLYMO-CQSZACIVSA-N 1 2 336.892 3.948 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000429110720 1129781045 /nfs/dbraw/zinc/78/10/45/1129781045.db2.gz AXDPUGLLGLLYMO-CQSZACIVSA-N 1 2 336.892 3.948 20 0 EHADLO Cc1ccsc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282424907 1129781953 /nfs/dbraw/zinc/78/19/53/1129781953.db2.gz UDSPATWHEOPGJD-CQSZACIVSA-N 1 2 329.469 3.609 20 0 EHADLO Cc1scc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282427826 1129785918 /nfs/dbraw/zinc/78/59/18/1129785918.db2.gz UIUHZLYARUULPQ-HNNXBMFYSA-N 1 2 343.496 3.918 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168740657 1129794124 /nfs/dbraw/zinc/79/41/24/1129794124.db2.gz UMDLARUGNNGJHV-KRWDZBQOSA-N 1 2 346.902 3.532 20 0 EHADLO COc1ccc([C@@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc2)cc1 ZINC000014260892 1129812279 /nfs/dbraw/zinc/81/22/79/1129812279.db2.gz VGPJECHIZDAQLK-SFHVURJKSA-N 1 2 345.406 3.573 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726603 1129812427 /nfs/dbraw/zinc/81/24/27/1129812427.db2.gz XMGQMLAWVAADIW-UHFFFAOYSA-N 1 2 342.468 3.504 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726996 1129813000 /nfs/dbraw/zinc/81/30/00/1129813000.db2.gz OYRVGIQPBVUMAJ-UHFFFAOYSA-N 1 2 347.418 3.978 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316810 1129823602 /nfs/dbraw/zinc/82/36/02/1129823602.db2.gz OGKXEAQLSYUFOV-IRXDYDNUSA-N 1 2 343.389 3.894 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316810 1129823604 /nfs/dbraw/zinc/82/36/04/1129823604.db2.gz OGKXEAQLSYUFOV-IRXDYDNUSA-N 1 2 343.389 3.894 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cc(Cl)ccc3F)[nH+]c12 ZINC000673757373 1129831398 /nfs/dbraw/zinc/83/13/98/1129831398.db2.gz BVFOGXIFGMBOLI-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000455225525 1129838719 /nfs/dbraw/zinc/83/87/19/1129838719.db2.gz QVWZVKJGMVZLGH-BRWVUGGUSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429125737 1129842275 /nfs/dbraw/zinc/84/22/75/1129842275.db2.gz ZZDSSMGDHPZDGC-OLZOCXBDSA-N 1 2 346.377 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429125737 1129842279 /nfs/dbraw/zinc/84/22/79/1129842279.db2.gz ZZDSSMGDHPZDGC-OLZOCXBDSA-N 1 2 346.377 3.575 20 0 EHADLO CC1(C)C[N@H+](Cc2ccncc2Br)CC2(CCCC2)O1 ZINC000625359906 1129844255 /nfs/dbraw/zinc/84/42/55/1129844255.db2.gz YZXQKZFWZSXSBO-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccncc2Br)CC2(CCCC2)O1 ZINC000625359906 1129844261 /nfs/dbraw/zinc/84/42/61/1129844261.db2.gz YZXQKZFWZSXSBO-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CCCCC1 ZINC000673778178 1129845965 /nfs/dbraw/zinc/84/59/65/1129845965.db2.gz UJIIVIAXLDJZMN-UHFFFAOYSA-N 1 2 328.460 3.549 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429135595 1129848704 /nfs/dbraw/zinc/84/87/04/1129848704.db2.gz ONQROPVKYOGXHH-OAHLLOKOSA-N 1 2 326.440 3.591 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429135595 1129848708 /nfs/dbraw/zinc/84/87/08/1129848708.db2.gz ONQROPVKYOGXHH-OAHLLOKOSA-N 1 2 326.440 3.591 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)nn1C ZINC000282448505 1129865704 /nfs/dbraw/zinc/86/57/04/1129865704.db2.gz ZRHYLUOXTMUVEA-CYBMUJFWSA-N 1 2 341.377 3.829 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2O1 ZINC000429152377 1129872596 /nfs/dbraw/zinc/87/25/96/1129872596.db2.gz WHCNBXQREMRBLU-ZDUSSCGKSA-N 1 2 327.815 3.771 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2O1 ZINC000429152377 1129872605 /nfs/dbraw/zinc/87/26/05/1129872605.db2.gz WHCNBXQREMRBLU-ZDUSSCGKSA-N 1 2 327.815 3.771 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440734 1129874107 /nfs/dbraw/zinc/87/41/07/1129874107.db2.gz SZKBPUMSDOBLHS-MOPGFXCFSA-N 1 2 342.414 3.523 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440734 1129874113 /nfs/dbraw/zinc/87/41/13/1129874113.db2.gz SZKBPUMSDOBLHS-MOPGFXCFSA-N 1 2 342.414 3.523 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)NCCCC2CCCCC2)cs1 ZINC000543506247 1129908350 /nfs/dbraw/zinc/90/83/50/1129908350.db2.gz XRBULKNVYSIFFD-AWEZNQCLSA-N 1 2 337.533 3.833 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccco1 ZINC000030276889 1129915233 /nfs/dbraw/zinc/91/52/33/1129915233.db2.gz KSTBAXHMPGRQKC-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccco1 ZINC000030276889 1129915235 /nfs/dbraw/zinc/91/52/35/1129915235.db2.gz KSTBAXHMPGRQKC-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO Clc1ccc2c(c1Cl)C[N@@H+](CCOC1CCOCC1)CC2 ZINC000625534687 1129918449 /nfs/dbraw/zinc/91/84/49/1129918449.db2.gz FMARUWLEFICQPR-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1ccc2c(c1Cl)C[N@H+](CCOC1CCOCC1)CC2 ZINC000625534687 1129918450 /nfs/dbraw/zinc/91/84/50/1129918450.db2.gz FMARUWLEFICQPR-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282487074 1129937091 /nfs/dbraw/zinc/93/70/91/1129937091.db2.gz YADAPCDDWNMVMH-INIZCTEOSA-N 1 2 348.450 3.721 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008669 1129955458 /nfs/dbraw/zinc/95/54/58/1129955458.db2.gz AUZPJFNNNINVAT-DNVCBOLYSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008669 1129955459 /nfs/dbraw/zinc/95/54/59/1129955459.db2.gz AUZPJFNNNINVAT-DNVCBOLYSA-N 1 2 326.415 3.792 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000674009756 1129956633 /nfs/dbraw/zinc/95/66/33/1129956633.db2.gz LEQRRBSLICVLFZ-IPELMVKDSA-N 1 2 330.447 3.754 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000674009756 1129956634 /nfs/dbraw/zinc/95/66/34/1129956634.db2.gz LEQRRBSLICVLFZ-IPELMVKDSA-N 1 2 330.447 3.754 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674011379 1129957865 /nfs/dbraw/zinc/95/78/65/1129957865.db2.gz WGZJFHDNSUWTFN-DYVFJYSZSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674011379 1129957868 /nfs/dbraw/zinc/95/78/68/1129957868.db2.gz WGZJFHDNSUWTFN-DYVFJYSZSA-N 1 2 344.455 3.607 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000674023475 1129967524 /nfs/dbraw/zinc/96/75/24/1129967524.db2.gz IVDDWGLKERJXJI-AAEUAGOBSA-N 1 2 340.349 3.825 20 0 EHADLO COc1ncc(Br)cc1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654189 1129969532 /nfs/dbraw/zinc/96/95/32/1129969532.db2.gz QZCLPRZLIUMKNJ-UWVGGRQHSA-N 1 2 349.219 3.576 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362701 1130075703 /nfs/dbraw/zinc/07/57/03/1130075703.db2.gz AZUWQTZQNZRWDK-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362701 1130075708 /nfs/dbraw/zinc/07/57/08/1130075708.db2.gz AZUWQTZQNZRWDK-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674390355 1130082290 /nfs/dbraw/zinc/08/22/90/1130082290.db2.gz UZOHTWGDGMLQMN-LAUBAEHRSA-N 1 2 349.478 3.590 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nnnn2C2CC2)c2ccccc2)c(C)c1 ZINC000674649586 1130158177 /nfs/dbraw/zinc/15/81/77/1130158177.db2.gz DAKOOLMLHYOQJI-HXUWFJFHSA-N 1 2 333.439 3.504 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674852493 1130208013 /nfs/dbraw/zinc/20/80/13/1130208013.db2.gz GWSJRPOFOOTTRD-QGZVFWFLSA-N 1 2 349.438 3.597 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCOC(C)(C)C)o1 ZINC000674904144 1130219127 /nfs/dbraw/zinc/21/91/27/1130219127.db2.gz MHLZKZSAKMOXNE-QGZVFWFLSA-N 1 2 329.444 3.683 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCOC(C)(C)C)o1 ZINC000674904144 1130219131 /nfs/dbraw/zinc/21/91/31/1130219131.db2.gz MHLZKZSAKMOXNE-QGZVFWFLSA-N 1 2 329.444 3.683 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)CCOCc2ccccc2)n1 ZINC000674912584 1130222826 /nfs/dbraw/zinc/22/28/26/1130222826.db2.gz IWGVLVWICYHGIQ-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)CCOCc2ccccc2)n1 ZINC000674912584 1130222831 /nfs/dbraw/zinc/22/28/31/1130222831.db2.gz IWGVLVWICYHGIQ-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023782 1130242358 /nfs/dbraw/zinc/24/23/58/1130242358.db2.gz MZINVTGOSTXYRP-CYBMUJFWSA-N 1 2 345.406 3.773 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000675250969 1130292577 /nfs/dbraw/zinc/29/25/77/1130292577.db2.gz BAIBKNPTOUJYRZ-AWEZNQCLSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000675250969 1130292583 /nfs/dbraw/zinc/29/25/83/1130292583.db2.gz BAIBKNPTOUJYRZ-AWEZNQCLSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675255140 1130297937 /nfs/dbraw/zinc/29/79/37/1130297937.db2.gz HCANEMRFPBALRF-BLLLJJGKSA-N 1 2 341.386 3.800 20 0 EHADLO Cc1cncc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000675447624 1130378249 /nfs/dbraw/zinc/37/82/49/1130378249.db2.gz WOPVDMIZXIENJJ-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000675799637 1130478258 /nfs/dbraw/zinc/47/82/58/1130478258.db2.gz PPUBQODSEVDWRF-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000675799637 1130478262 /nfs/dbraw/zinc/47/82/62/1130478262.db2.gz PPUBQODSEVDWRF-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000706113116 1130555662 /nfs/dbraw/zinc/55/56/62/1130555662.db2.gz JSJLRYLPINKDGP-XJNFMUPTSA-N 1 2 329.444 3.968 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000676331558 1130565681 /nfs/dbraw/zinc/56/56/81/1130565681.db2.gz MSAFBEIHITTYHV-KRWDZBQOSA-N 1 2 333.382 3.695 20 0 EHADLO COc1cc(F)c([C@@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1OC ZINC000536840595 1130594541 /nfs/dbraw/zinc/59/45/41/1130594541.db2.gz PHNHAZGFJVCLPA-ACJLOTCBSA-N 1 2 344.430 3.680 20 0 EHADLO COc1cc(F)c([C@@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1OC ZINC000536840595 1130594545 /nfs/dbraw/zinc/59/45/45/1130594545.db2.gz PHNHAZGFJVCLPA-ACJLOTCBSA-N 1 2 344.430 3.680 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1cc(Br)ccc1F ZINC000731028576 1130762070 /nfs/dbraw/zinc/76/20/70/1130762070.db2.gz GKZJLOFQFFEHHN-UHFFFAOYSA-N 1 2 343.221 3.891 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ccc(-c3ccccc3)n2)cc(OC)c1 ZINC000731658340 1130824736 /nfs/dbraw/zinc/82/47/36/1130824736.db2.gz BLUTXUZSNVKHIY-UHFFFAOYSA-N 1 2 337.423 3.657 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ccc(-c3ccccc3)n2)cc(OC)c1 ZINC000731658340 1130824741 /nfs/dbraw/zinc/82/47/41/1130824741.db2.gz BLUTXUZSNVKHIY-UHFFFAOYSA-N 1 2 337.423 3.657 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000732184272 1130894798 /nfs/dbraw/zinc/89/47/98/1130894798.db2.gz YQAVBQBTMAUTHC-ZDUSSCGKSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000732184272 1130894803 /nfs/dbraw/zinc/89/48/03/1130894803.db2.gz YQAVBQBTMAUTHC-ZDUSSCGKSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732755743 1130954047 /nfs/dbraw/zinc/95/40/47/1130954047.db2.gz VZNVWDUWTHMSFI-QZTJIDSGSA-N 1 2 327.472 3.683 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000732989147 1130980165 /nfs/dbraw/zinc/98/01/65/1130980165.db2.gz OWQHNSYEUQNMRG-GOSISDBHSA-N 1 2 330.378 3.765 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000732989147 1130980168 /nfs/dbraw/zinc/98/01/68/1130980168.db2.gz OWQHNSYEUQNMRG-GOSISDBHSA-N 1 2 330.378 3.765 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000733030239 1130983636 /nfs/dbraw/zinc/98/36/36/1130983636.db2.gz RNLNJUDPPQBKRL-HNNXBMFYSA-N 1 2 325.790 3.997 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000733030239 1130983637 /nfs/dbraw/zinc/98/36/37/1130983637.db2.gz RNLNJUDPPQBKRL-HNNXBMFYSA-N 1 2 325.790 3.997 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC/C=C/c2ccccc2)c1C ZINC000733043370 1130987814 /nfs/dbraw/zinc/98/78/14/1130987814.db2.gz VQSPWOCDCGRSAE-DHZHZOJOSA-N 1 2 339.439 3.562 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733332198 1131028761 /nfs/dbraw/zinc/02/87/61/1131028761.db2.gz RPYHIGOPAUHLAG-UHFFFAOYSA-N 1 2 341.436 3.512 20 0 EHADLO c1ccc2cc(CC[N@@H+]3CCO[C@@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000733996626 1131180508 /nfs/dbraw/zinc/18/05/08/1131180508.db2.gz ZGVQPTMZGBPCES-LJQANCHMSA-N 1 2 349.434 3.716 20 0 EHADLO c1ccc2cc(CC[N@H+]3CCO[C@@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000733996626 1131180512 /nfs/dbraw/zinc/18/05/12/1131180512.db2.gz ZGVQPTMZGBPCES-LJQANCHMSA-N 1 2 349.434 3.716 20 0 EHADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627225 1131428663 /nfs/dbraw/zinc/42/86/63/1131428663.db2.gz DQBXREOORBDYMP-CSTKLKAISA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627225 1131428667 /nfs/dbraw/zinc/42/86/67/1131428667.db2.gz DQBXREOORBDYMP-CSTKLKAISA-N 1 2 327.449 3.927 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCCO[C@@H](C)C3)c2=S)c1 ZINC000738163536 1131462736 /nfs/dbraw/zinc/46/27/36/1131462736.db2.gz YSQZKTYNDJMQJX-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCCO[C@@H](C)C3)c2=S)c1 ZINC000738163536 1131462739 /nfs/dbraw/zinc/46/27/39/1131462739.db2.gz YSQZKTYNDJMQJX-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C[C@@H](C(C)C)CC2=O)cc1 ZINC000738244211 1131466294 /nfs/dbraw/zinc/46/62/94/1131466294.db2.gz GJBPBJIJATYIPI-ROUUACIJSA-N 1 2 332.513 3.547 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C[C@@H](C(C)C)CC2=O)cc1 ZINC000738244211 1131466299 /nfs/dbraw/zinc/46/62/99/1131466299.db2.gz GJBPBJIJATYIPI-ROUUACIJSA-N 1 2 332.513 3.547 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000738306181 1131467449 /nfs/dbraw/zinc/46/74/49/1131467449.db2.gz SOODGJGBCOSSEB-QGZVFWFLSA-N 1 2 349.837 3.716 20 0 EHADLO Cc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000738392062 1131468701 /nfs/dbraw/zinc/46/87/01/1131468701.db2.gz WSOZTUPLGNHAKD-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO CC(C)c1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=S)n1Cc1ccco1 ZINC000740857752 1131549268 /nfs/dbraw/zinc/54/92/68/1131549268.db2.gz AYUIPPHUNVYRJI-ZIAGYGMSSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)c1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=S)n1Cc1ccco1 ZINC000740857752 1131549269 /nfs/dbraw/zinc/54/92/69/1131549269.db2.gz AYUIPPHUNVYRJI-ZIAGYGMSSA-N 1 2 334.489 3.867 20 0 EHADLO CC/C(=C\C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000741667513 1131631345 /nfs/dbraw/zinc/63/13/45/1131631345.db2.gz UZJUHGFAOSPGOY-SAPNQHFASA-N 1 2 337.467 3.680 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2cccc(F)c2o1 ZINC000741913694 1131667442 /nfs/dbraw/zinc/66/74/42/1131667442.db2.gz WESZRFQLGDXFIF-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(-c4ccccc4)n3C)ccc2[nH+]1 ZINC000741919304 1131667928 /nfs/dbraw/zinc/66/79/28/1131667928.db2.gz LVIPPHMPOZCSKK-UHFFFAOYSA-N 1 2 330.391 3.901 20 0 EHADLO COc1cc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1C ZINC000741951280 1131674757 /nfs/dbraw/zinc/67/47/57/1131674757.db2.gz QLGIFVXNMWATAL-UHFFFAOYSA-N 1 2 336.391 3.605 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc3ccccn3c2=S)CC[C@H]1c1ccccc1 ZINC000742166969 1131691949 /nfs/dbraw/zinc/69/19/49/1131691949.db2.gz RPWIQQMMRQAEIT-NVXWUHKLSA-N 1 2 338.480 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc3ccccn3c2=S)CC[C@H]1c1ccccc1 ZINC000742166969 1131691951 /nfs/dbraw/zinc/69/19/51/1131691951.db2.gz RPWIQQMMRQAEIT-NVXWUHKLSA-N 1 2 338.480 3.948 20 0 EHADLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1occc1Br ZINC000742376687 1131717922 /nfs/dbraw/zinc/71/79/22/1131717922.db2.gz CGYZVOYBFBZXDT-ZDUSSCGKSA-N 1 2 338.201 3.664 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000742479796 1131735910 /nfs/dbraw/zinc/73/59/10/1131735910.db2.gz FXYFXLSHGIHNEI-LJQANCHMSA-N 1 2 326.525 3.600 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000742490915 1131736608 /nfs/dbraw/zinc/73/66/08/1131736608.db2.gz GNVMANGFZKRXRS-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000742490915 1131736612 /nfs/dbraw/zinc/73/66/12/1131736612.db2.gz GNVMANGFZKRXRS-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccnc4c(Cl)cccc34)cc2)C1 ZINC001212666337 1131763757 /nfs/dbraw/zinc/76/37/57/1131763757.db2.gz KBHAKRVNYXMOKH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000742631921 1131764240 /nfs/dbraw/zinc/76/42/40/1131764240.db2.gz RTPLJUIZCFDOCO-IBGZPJMESA-N 1 2 326.525 3.600 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000742631921 1131764245 /nfs/dbraw/zinc/76/42/45/1131764245.db2.gz RTPLJUIZCFDOCO-IBGZPJMESA-N 1 2 326.525 3.600 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000742637759 1131765434 /nfs/dbraw/zinc/76/54/34/1131765434.db2.gz HZYOLVYNDPYQKM-HZPDHXFCSA-N 1 2 342.439 3.723 20 0 EHADLO O=C(/C=C\C1CC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660594 1131766725 /nfs/dbraw/zinc/76/67/25/1131766725.db2.gz ZSVQCOGQVUDLQB-SBSDFTTDSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(/C=C\C1CC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660594 1131766729 /nfs/dbraw/zinc/76/67/29/1131766729.db2.gz ZSVQCOGQVUDLQB-SBSDFTTDSA-N 1 2 336.838 3.526 20 0 EHADLO Cc1ccc(Br)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212669035 1131769047 /nfs/dbraw/zinc/76/90/47/1131769047.db2.gz DDVVDOOIESNRIZ-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001172574667 1131779549 /nfs/dbraw/zinc/77/95/49/1131779549.db2.gz RYFOPVGARXKPTJ-AAEUAGOBSA-N 1 2 346.824 3.667 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001172574667 1131779555 /nfs/dbraw/zinc/77/95/55/1131779555.db2.gz RYFOPVGARXKPTJ-AAEUAGOBSA-N 1 2 346.824 3.667 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001172574667 1131779562 /nfs/dbraw/zinc/77/95/62/1131779562.db2.gz RYFOPVGARXKPTJ-AAEUAGOBSA-N 1 2 346.824 3.667 20 0 EHADLO COC(=O)[C@H]1CCC[C@H]([N@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623492 1131809268 /nfs/dbraw/zinc/80/92/68/1131809268.db2.gz RMAOBSSEZIRPKT-GJZGRUSLSA-N 1 2 342.464 3.858 20 0 EHADLO COC(=O)[C@H]1CCC[C@H]([N@@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623492 1131809276 /nfs/dbraw/zinc/80/92/76/1131809276.db2.gz RMAOBSSEZIRPKT-GJZGRUSLSA-N 1 2 342.464 3.858 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)[C@H]2C ZINC001172719572 1131821177 /nfs/dbraw/zinc/82/11/77/1131821177.db2.gz VMQSHMMWKCKJCW-GUYCJALGSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)[C@H]2C ZINC001172719572 1131821187 /nfs/dbraw/zinc/82/11/87/1131821187.db2.gz VMQSHMMWKCKJCW-GUYCJALGSA-N 1 2 345.874 3.617 20 0 EHADLO COC(=O)C1([NH2+]C2CCC3(CCCC3)CC2)Cc2ccccc2C1 ZINC001172723128 1131824387 /nfs/dbraw/zinc/82/43/87/1131824387.db2.gz OONJSDKXQNZQIP-UHFFFAOYSA-N 1 2 327.468 3.790 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CCCC1 ZINC001172837099 1131858835 /nfs/dbraw/zinc/85/88/35/1131858835.db2.gz KPSSIUNTFFNEST-LBPRGKRZSA-N 1 2 327.827 3.876 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC001172850712 1131871073 /nfs/dbraw/zinc/87/10/73/1131871073.db2.gz ZZRQAKVBVRVHNG-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCN(Cc2cccnc2)CC1 ZINC001172850712 1131871081 /nfs/dbraw/zinc/87/10/81/1131871081.db2.gz ZZRQAKVBVRVHNG-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+](C)CCCc1ccccc1)c2=O ZINC000743351248 1131897726 /nfs/dbraw/zinc/89/77/26/1131897726.db2.gz GYQZAUZWUUIIBZ-UHFFFAOYSA-N 1 2 341.480 3.597 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+](C)CCCc1ccccc1)c2=O ZINC000743351248 1131897733 /nfs/dbraw/zinc/89/77/33/1131897733.db2.gz GYQZAUZWUUIIBZ-UHFFFAOYSA-N 1 2 341.480 3.597 20 0 EHADLO C[C@@H]1C[NH+](Cn2ccn(Cc3ccccc3)c2=S)C[C@@H](C)S1 ZINC000743374563 1131902804 /nfs/dbraw/zinc/90/28/04/1131902804.db2.gz HWJBXONHPJJLGQ-HUUCEWRRSA-N 1 2 333.526 3.851 20 0 EHADLO Cc1cc(C)c2c(=O)n(C[N@@H+]3CCC4(C3)CCCCC4)sc2n1 ZINC000743371579 1131903978 /nfs/dbraw/zinc/90/39/78/1131903978.db2.gz WKAQSIXVUUETHL-UHFFFAOYSA-N 1 2 331.485 3.689 20 0 EHADLO Cc1cc(C)c2c(=O)n(C[N@H+]3CCC4(C3)CCCCC4)sc2n1 ZINC000743371579 1131903981 /nfs/dbraw/zinc/90/39/81/1131903981.db2.gz WKAQSIXVUUETHL-UHFFFAOYSA-N 1 2 331.485 3.689 20 0 EHADLO CCOC(=O)c1c(C)nsc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693079 1131905051 /nfs/dbraw/zinc/90/50/51/1131905051.db2.gz BIFNQRYJQYUMMT-UHFFFAOYSA-N 1 2 342.424 3.617 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000180914954 1131906463 /nfs/dbraw/zinc/90/64/63/1131906463.db2.gz MKROKOYBXOLVDN-MRVPVSSYSA-N 1 2 348.756 3.515 20 0 EHADLO NC(=O)c1oc2ccccc2c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693203 1131907218 /nfs/dbraw/zinc/90/72/18/1131907218.db2.gz IKGDHUPGECXTJY-UHFFFAOYSA-N 1 2 332.363 3.520 20 0 EHADLO FC(F)(F)c1ccn(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000743384177 1131907486 /nfs/dbraw/zinc/90/74/86/1131907486.db2.gz YNZVKIFCOZSCMP-CYBMUJFWSA-N 1 2 341.402 3.974 20 0 EHADLO FC(F)(F)c1ccn(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000743384177 1131907494 /nfs/dbraw/zinc/90/74/94/1131907494.db2.gz YNZVKIFCOZSCMP-CYBMUJFWSA-N 1 2 341.402 3.974 20 0 EHADLO CCOc1nn(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c(=S)s1 ZINC000743401406 1131913105 /nfs/dbraw/zinc/91/31/05/1131913105.db2.gz ZDWQRZZDBNLFEY-WDEREUQCSA-N 1 2 333.548 3.636 20 0 EHADLO CCOc1nn(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c(=S)s1 ZINC000743401406 1131913109 /nfs/dbraw/zinc/91/31/09/1131913109.db2.gz ZDWQRZZDBNLFEY-WDEREUQCSA-N 1 2 333.548 3.636 20 0 EHADLO COC(=O)c1c(Cl)nccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694068 1131922436 /nfs/dbraw/zinc/92/24/36/1131922436.db2.gz IJHBFTMCZVDNIU-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000743478196 1131924269 /nfs/dbraw/zinc/92/42/69/1131924269.db2.gz SMACZOQFDQOVFU-HOCLYGCPSA-N 1 2 343.496 3.860 20 0 EHADLO Cc1cccc(F)c1C[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000743484007 1131932286 /nfs/dbraw/zinc/93/22/86/1131932286.db2.gz JPWGCJVJZFGVER-HXUWFJFHSA-N 1 2 340.442 3.978 20 0 EHADLO Nc1c(F)c(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1F ZINC001212697608 1131937543 /nfs/dbraw/zinc/93/75/43/1131937543.db2.gz JJHFOAXTDSOSBB-UHFFFAOYSA-N 1 2 336.292 3.814 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC3(C2)CCCCC3)c1C ZINC000743574811 1131945296 /nfs/dbraw/zinc/94/52/96/1131945296.db2.gz HNVFRIOADNMKCO-UHFFFAOYSA-N 1 2 331.460 3.573 20 0 EHADLO C[C@@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001173069316 1131954032 /nfs/dbraw/zinc/95/40/32/1131954032.db2.gz IVSQSSZNDJSLRF-HZPDHXFCSA-N 1 2 346.471 3.538 20 0 EHADLO CCc1ccc(C[C@@H](C)[NH2+][C@H](Cc2cccc(F)c2)C(=O)OC)cc1 ZINC001173242903 1132030320 /nfs/dbraw/zinc/03/03/20/1132030320.db2.gz YJRWMEMPRYZIAU-FOIQADDNSA-N 1 2 343.442 3.693 20 0 EHADLO Cc1cc(C(=O)N(C)C)ccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001212731496 1132082561 /nfs/dbraw/zinc/08/25/61/1132082561.db2.gz LCGNSEFWVOCGIG-UHFFFAOYSA-N 1 2 334.423 3.685 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000744448599 1132102246 /nfs/dbraw/zinc/10/22/46/1132102246.db2.gz VLZDVEQFSRSIDR-QGHHPUGFSA-N 1 2 333.794 3.567 20 0 EHADLO Cc1cc(CO)cc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001212752561 1132130278 /nfs/dbraw/zinc/13/02/78/1132130278.db2.gz UETSBCYMUVJZOH-UHFFFAOYSA-N 1 2 343.224 3.964 20 0 EHADLO Cc1cc(CO)cc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001212752609 1132130655 /nfs/dbraw/zinc/13/06/55/1132130655.db2.gz WMCFWCFJRYHLSZ-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO COc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001173903611 1132168474 /nfs/dbraw/zinc/16/84/74/1132168474.db2.gz CEPYUEKKLKZNDZ-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO O=C(OCCC1CCCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744963205 1132175697 /nfs/dbraw/zinc/17/56/97/1132175697.db2.gz IAJXWPHBYZJBGE-FQEVSTJZSA-N 1 2 345.483 3.698 20 0 EHADLO c1cc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ccc2[nH]1 ZINC001173938656 1132190234 /nfs/dbraw/zinc/19/02/34/1132190234.db2.gz BOYRPGPUHNWXBO-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000745098201 1132193862 /nfs/dbraw/zinc/19/38/62/1132193862.db2.gz BDONOOLUSXPBGS-UHOSZYNNSA-N 1 2 333.472 3.818 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000745098201 1132193867 /nfs/dbraw/zinc/19/38/67/1132193867.db2.gz BDONOOLUSXPBGS-UHOSZYNNSA-N 1 2 333.472 3.818 20 0 EHADLO CC(=O)Nc1ccccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001173993779 1132197688 /nfs/dbraw/zinc/19/76/88/1132197688.db2.gz TXIZMRGEECXOSE-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cccc(C(=O)NC2CCCC2)c1 ZINC001174195998 1132278467 /nfs/dbraw/zinc/27/84/67/1132278467.db2.gz PFEHGLOTACJICI-UHFFFAOYSA-N 1 2 325.412 3.896 20 0 EHADLO Cn1nc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001174326050 1132319015 /nfs/dbraw/zinc/31/90/15/1132319015.db2.gz UFXIMNRVSJXASW-UHFFFAOYSA-N 1 2 325.338 3.568 20 0 EHADLO FC(F)Oc1cccnc1NC1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174394344 1132328867 /nfs/dbraw/zinc/32/88/67/1132328867.db2.gz GQWDUFCIPXFKBD-UHFFFAOYSA-N 1 2 331.366 3.885 20 0 EHADLO FC(F)Oc1cccnc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394344 1132328876 /nfs/dbraw/zinc/32/88/76/1132328876.db2.gz GQWDUFCIPXFKBD-UHFFFAOYSA-N 1 2 331.366 3.885 20 0 EHADLO c1cc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ccc2o1 ZINC001174418043 1132347043 /nfs/dbraw/zinc/34/70/43/1132347043.db2.gz VOBSRNIMEXZGOE-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO Cc1nc(Nc2ccc3occc3c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174419025 1132347183 /nfs/dbraw/zinc/34/71/83/1132347183.db2.gz CKGUFDGHTCWBIM-STQMWFEESA-N 1 2 338.411 3.888 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc3occc3c2)[nH+]1 ZINC001174419025 1132347192 /nfs/dbraw/zinc/34/71/92/1132347192.db2.gz CKGUFDGHTCWBIM-STQMWFEESA-N 1 2 338.411 3.888 20 0 EHADLO c1ccc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ncc2c1 ZINC001174432107 1132352499 /nfs/dbraw/zinc/35/24/99/1132352499.db2.gz LBNLSUPNTKJBGV-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CCn1cnn(C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1=S ZINC000746063700 1132356317 /nfs/dbraw/zinc/35/63/17/1132356317.db2.gz AMBSHPOFRZNYAN-UHFFFAOYSA-N 1 2 334.464 3.975 20 0 EHADLO CCn1cnn(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c1=S ZINC000746063700 1132356325 /nfs/dbraw/zinc/35/63/25/1132356325.db2.gz AMBSHPOFRZNYAN-UHFFFAOYSA-N 1 2 334.464 3.975 20 0 EHADLO CCOc1ncccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001174457366 1132375018 /nfs/dbraw/zinc/37/50/18/1132375018.db2.gz UMTAUVDQUHTDKE-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO Cc1ccccc1OCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065729371 1132389622 /nfs/dbraw/zinc/38/96/22/1132389622.db2.gz ORNMUSDFLLRXMX-UHFFFAOYSA-N 1 2 339.370 3.727 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1Nc1ccc2c(c1)OCCCO2 ZINC001174522736 1132400269 /nfs/dbraw/zinc/40/02/69/1132400269.db2.gz WWQDQNCIZUITKA-UHFFFAOYSA-N 1 2 325.412 3.977 20 0 EHADLO COc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cnc1OC ZINC001174545711 1132412067 /nfs/dbraw/zinc/41/20/67/1132412067.db2.gz QDCRIPNXTKXZQL-UHFFFAOYSA-N 1 2 346.387 3.584 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000188764566 1132437601 /nfs/dbraw/zinc/43/76/01/1132437601.db2.gz QGUBUVFAUVXXKE-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000188764566 1132437605 /nfs/dbraw/zinc/43/76/05/1132437605.db2.gz QGUBUVFAUVXXKE-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO CC(C)CC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001174704713 1132446635 /nfs/dbraw/zinc/44/66/35/1132446635.db2.gz KCDNUPMBBZKKFF-JCGIZDLHSA-N 1 2 325.880 3.899 20 0 EHADLO CC(C)CC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001174704713 1132446641 /nfs/dbraw/zinc/44/66/41/1132446641.db2.gz KCDNUPMBBZKKFF-JCGIZDLHSA-N 1 2 325.880 3.899 20 0 EHADLO CC(C)COc1cccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174727056 1132453093 /nfs/dbraw/zinc/45/30/93/1132453093.db2.gz ZOUVKCFFWFTEKU-KSSFIOAISA-N 1 2 327.415 3.966 20 0 EHADLO CC(C)COc1cccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174727056 1132453096 /nfs/dbraw/zinc/45/30/96/1132453096.db2.gz ZOUVKCFFWFTEKU-KSSFIOAISA-N 1 2 327.415 3.966 20 0 EHADLO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1-c1ccccc1)CCO2 ZINC000191616214 1132464626 /nfs/dbraw/zinc/46/46/26/1132464626.db2.gz KFGBBSAIJJIJQQ-IBGZPJMESA-N 1 2 349.434 3.884 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(=CNc2ccn3cc[nH+]c3c2)CC1 ZINC001174847551 1132485478 /nfs/dbraw/zinc/48/54/78/1132485478.db2.gz LGBQXDGGXVPLMK-UHFFFAOYSA-N 1 2 328.416 3.661 20 0 EHADLO COc1ccc2ccc(C(=O)N(C(N)=[NH2+])c3ccccc3F)cc2c1 ZINC001174853635 1132488045 /nfs/dbraw/zinc/48/80/45/1132488045.db2.gz AQOCGTVBFQXUNI-UHFFFAOYSA-N 1 2 337.354 3.528 20 0 EHADLO CC(C)(C)OCc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001174912217 1132502385 /nfs/dbraw/zinc/50/23/85/1132502385.db2.gz XYCLVGJUMHCEKB-UHFFFAOYSA-N 1 2 341.455 3.977 20 0 EHADLO c1csc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)n1 ZINC001174975963 1132510492 /nfs/dbraw/zinc/51/04/92/1132510492.db2.gz HOLILIAVOQBEOZ-UHFFFAOYSA-N 1 2 338.436 3.785 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000766397233 1132528689 /nfs/dbraw/zinc/52/86/89/1132528689.db2.gz PAAXETMWWOHDOW-YJBOKZPZSA-N 1 2 325.412 3.812 20 0 EHADLO c1csc(-c2ccccc2Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC001174979781 1132533820 /nfs/dbraw/zinc/53/38/20/1132533820.db2.gz HPOIMSUYKCYZIB-UHFFFAOYSA-N 1 2 338.436 3.785 20 0 EHADLO CC(C)Oc1c(F)cccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980102 1132534214 /nfs/dbraw/zinc/53/42/14/1132534214.db2.gz OBXUYOAYBVPRCL-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CCC(CC)[C@@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)OC ZINC000766424520 1132536268 /nfs/dbraw/zinc/53/62/68/1132536268.db2.gz FYRSBBOYMIGXHE-OAHLLOKOSA-N 1 2 333.480 3.835 20 0 EHADLO Nc1ccc(CCC(=O)OCc2cccc(Cl)c2Cl)c[nH+]1 ZINC000773450541 1132549263 /nfs/dbraw/zinc/54/92/63/1132549263.db2.gz YKZKEZODILFQPE-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO COC(=O)Cc1c[nH]c2[nH+]ccc(NC(C)(C)c3ccc(C)cc3)c12 ZINC001168802952 1132563171 /nfs/dbraw/zinc/56/31/71/1132563171.db2.gz DSLFJERHJVNENL-UHFFFAOYSA-N 1 2 337.423 3.934 20 0 EHADLO CCOC(=O)C[N@H+](C[C@H](O)CC1CCCC1)[C@@H](C)c1ccccc1 ZINC001168893411 1132590418 /nfs/dbraw/zinc/59/04/18/1132590418.db2.gz HWYPVNVXFHHGGK-QFBILLFUSA-N 1 2 333.472 3.554 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H](C)c1ccccc1 ZINC001168893411 1132590425 /nfs/dbraw/zinc/59/04/25/1132590425.db2.gz HWYPVNVXFHHGGK-QFBILLFUSA-N 1 2 333.472 3.554 20 0 EHADLO CCOc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(F)c1 ZINC001175247277 1132608421 /nfs/dbraw/zinc/60/84/21/1132608421.db2.gz NTCHCRRYLQDFRG-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cccc2OC[C@H]2CCCO2)c[nH+]1 ZINC001175346106 1132628691 /nfs/dbraw/zinc/62/86/91/1132628691.db2.gz MXIOLWMKRBJKSI-CQSZACIVSA-N 1 2 331.391 3.588 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc(N(C)C)[nH+]c2)c(C(F)(F)F)c1 ZINC001175346662 1132629457 /nfs/dbraw/zinc/62/94/57/1132629457.db2.gz WQGKIKNVUBVQEI-UHFFFAOYSA-N 1 2 338.333 3.868 20 0 EHADLO c1cc(Nc2ccc(N3CCCC3)[nH+]c2)cn2c1nnc2C1CCC1 ZINC001175347512 1132629468 /nfs/dbraw/zinc/62/94/68/1132629468.db2.gz MWYJSNXRDCJAJS-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO COc1cc(Br)c(Nc2ccc(N(C)C)[nH+]c2)cc1F ZINC001175346675 1132629558 /nfs/dbraw/zinc/62/95/58/1132629558.db2.gz XHLFBIRYQVBDLV-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO CN(C)c1ccc(Nc2cc(-c3ccsc3)sc2C(N)=O)c[nH+]1 ZINC001175340481 1132644065 /nfs/dbraw/zinc/64/40/65/1132644065.db2.gz IQORGXHRPHUHFU-UHFFFAOYSA-N 1 2 344.465 3.780 20 0 EHADLO Oc1ccc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349625 1132645447 /nfs/dbraw/zinc/64/54/47/1132645447.db2.gz BIIFDUIHEKQQBM-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO COc1ccccc1-n1ncc(C)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350422 1132645929 /nfs/dbraw/zinc/64/59/29/1132645929.db2.gz JTPLAKRIDZEOAZ-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO O=C1CCOc2c(Nc3ccc(N4CCCC4)[nH+]c3)ccc(F)c21 ZINC001175352986 1132646976 /nfs/dbraw/zinc/64/69/76/1132646976.db2.gz UCYJLQMKHIZBDX-UHFFFAOYSA-N 1 2 327.359 3.530 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cnc4cccnc4c3)c2c1 ZINC001175358294 1132648594 /nfs/dbraw/zinc/64/85/94/1132648594.db2.gz IBGAUQNUFQLAJY-UHFFFAOYSA-N 1 2 344.374 3.520 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001169090958 1132660516 /nfs/dbraw/zinc/66/05/16/1132660516.db2.gz KDRCRQAOPXRIIQ-UHFFFAOYSA-N 1 2 343.370 3.562 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001169090958 1132660518 /nfs/dbraw/zinc/66/05/18/1132660518.db2.gz KDRCRQAOPXRIIQ-UHFFFAOYSA-N 1 2 343.370 3.562 20 0 EHADLO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1Cc1csnn1 ZINC001175419556 1132663189 /nfs/dbraw/zinc/66/31/89/1132663189.db2.gz XIYAOTSWQPDEMF-OAHLLOKOSA-N 1 2 325.840 3.928 20 0 EHADLO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1Cc1csnn1 ZINC001175419556 1132663193 /nfs/dbraw/zinc/66/31/93/1132663193.db2.gz XIYAOTSWQPDEMF-OAHLLOKOSA-N 1 2 325.840 3.928 20 0 EHADLO Cc1ccc(Nc2ccc3cc(NS(C)(=O)=O)ccc3c2)c(C)[nH+]1 ZINC001175527299 1132700384 /nfs/dbraw/zinc/70/03/84/1132700384.db2.gz GXFQMAHZPFFFDA-UHFFFAOYSA-N 1 2 341.436 3.967 20 0 EHADLO COc1ccc2c(c1)C[C@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)O2 ZINC001169226944 1132702218 /nfs/dbraw/zinc/70/22/18/1132702218.db2.gz XBWJEHXBIGHKDD-MRXNPFEDSA-N 1 2 345.389 3.942 20 0 EHADLO COc1ccc2c(c1)C[C@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)O2 ZINC001169226944 1132702222 /nfs/dbraw/zinc/70/22/22/1132702222.db2.gz XBWJEHXBIGHKDD-MRXNPFEDSA-N 1 2 345.389 3.942 20 0 EHADLO Cc1nc(Nc2ccc3ccncc3c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175701920 1132730469 /nfs/dbraw/zinc/73/04/69/1132730469.db2.gz DBINSVNZXGEJMD-KBPBESRZSA-N 1 2 349.438 3.690 20 0 EHADLO CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C)c1 ZINC001175712173 1132740009 /nfs/dbraw/zinc/74/00/09/1132740009.db2.gz IREMGPAGAHCABY-UHFFFAOYSA-N 1 2 339.317 3.911 20 0 EHADLO CO[C@@H]1CCOc2c(Nc3c[nH+]c(N)cc3C(F)(F)F)cccc21 ZINC001175713710 1132740293 /nfs/dbraw/zinc/74/02/93/1132740293.db2.gz BXQBSEBHZMKSQX-CYBMUJFWSA-N 1 2 339.317 3.896 20 0 EHADLO COc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc2cccnc21 ZINC001175713883 1132740658 /nfs/dbraw/zinc/74/06/58/1132740658.db2.gz ODWGSCNWJYCDRP-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001169518189 1132783352 /nfs/dbraw/zinc/78/33/52/1132783352.db2.gz DIYCJOUMDZYRNQ-HXUWFJFHSA-N 1 2 339.435 3.793 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001169518189 1132783357 /nfs/dbraw/zinc/78/33/57/1132783357.db2.gz DIYCJOUMDZYRNQ-HXUWFJFHSA-N 1 2 339.435 3.793 20 0 EHADLO Cc1cc([NH2+]C[C@@H](C)c2ccc(O)cc2)ccc1N1CCOCC1 ZINC001169544690 1132788985 /nfs/dbraw/zinc/78/89/85/1132788985.db2.gz ARQCJUNCYSDCFY-MRXNPFEDSA-N 1 2 326.440 3.753 20 0 EHADLO C[N@@H+]1CCc2ncnc(NC3(c4ccccc4C(F)(F)F)CC3)c2C1 ZINC001169635326 1132803553 /nfs/dbraw/zinc/80/35/53/1132803553.db2.gz RKPSIMALAQVTQU-UHFFFAOYSA-N 1 2 348.372 3.585 20 0 EHADLO C[N@H+]1CCc2ncnc(NC3(c4ccccc4C(F)(F)F)CC3)c2C1 ZINC001169635326 1132803562 /nfs/dbraw/zinc/80/35/62/1132803562.db2.gz RKPSIMALAQVTQU-UHFFFAOYSA-N 1 2 348.372 3.585 20 0 EHADLO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC001175999616 1132814547 /nfs/dbraw/zinc/81/45/47/1132814547.db2.gz CEHVRKVLAVGZAP-UHFFFAOYSA-N 1 2 331.419 3.756 20 0 EHADLO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC001175999616 1132814554 /nfs/dbraw/zinc/81/45/54/1132814554.db2.gz CEHVRKVLAVGZAP-UHFFFAOYSA-N 1 2 331.419 3.756 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3cccc(OC4CCCC4)c3)c[nH+]2)C1 ZINC001176098797 1132828126 /nfs/dbraw/zinc/82/81/26/1132828126.db2.gz YBWKMOVUXYWJMZ-KRWDZBQOSA-N 1 2 339.439 3.718 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC001169743189 1132836640 /nfs/dbraw/zinc/83/66/40/1132836640.db2.gz CNUGFKJETPQRQH-LJQANCHMSA-N 1 2 331.362 3.683 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC001169743189 1132836647 /nfs/dbraw/zinc/83/66/47/1132836647.db2.gz CNUGFKJETPQRQH-LJQANCHMSA-N 1 2 331.362 3.683 20 0 EHADLO CCOC(=O)c1noc(Nc2c[nH+]ccc2OC)c1-c1ccccc1 ZINC001176121795 1132852698 /nfs/dbraw/zinc/85/26/98/1132852698.db2.gz QATMQBQVPISSPS-UHFFFAOYSA-N 1 2 339.351 3.666 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)cnn1CC ZINC001176220808 1132878365 /nfs/dbraw/zinc/87/83/65/1132878365.db2.gz XBSOGHAYVCKLBQ-UHFFFAOYSA-N 1 2 337.427 3.725 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC001169880458 1132878804 /nfs/dbraw/zinc/87/88/04/1132878804.db2.gz NZQRQIQQLPPOJD-HXUWFJFHSA-N 1 2 348.487 3.957 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC001169880458 1132878814 /nfs/dbraw/zinc/87/88/14/1132878814.db2.gz NZQRQIQQLPPOJD-HXUWFJFHSA-N 1 2 348.487 3.957 20 0 EHADLO CN(C)c1ccc(Nc2cccc3c2cnn3[C@@H]2CCCCO2)c[nH+]1 ZINC001176315643 1132912345 /nfs/dbraw/zinc/91/23/45/1132912345.db2.gz LGMKNHXOKNQJIB-IBGZPJMESA-N 1 2 337.427 3.940 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)CCS1 ZINC000766986100 1132927536 /nfs/dbraw/zinc/92/75/36/1132927536.db2.gz AYPBZAFRJXAMKG-LBPRGKRZSA-N 1 2 341.908 3.670 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)CCS1 ZINC000766986100 1132927542 /nfs/dbraw/zinc/92/75/42/1132927542.db2.gz AYPBZAFRJXAMKG-LBPRGKRZSA-N 1 2 341.908 3.670 20 0 EHADLO CCc1[nH+]ccc(C)c1Nc1ccc(CN2CCOCC2)cc1F ZINC001176487083 1132945726 /nfs/dbraw/zinc/94/57/26/1132945726.db2.gz MYNQRELMAULMEC-UHFFFAOYSA-N 1 2 329.419 3.667 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH+]1CCN(CC(C)(F)F)CC1 ZINC001176495302 1132948533 /nfs/dbraw/zinc/94/85/33/1132948533.db2.gz HELRNSQVMGQCDG-UHFFFAOYSA-N 1 2 326.431 3.591 20 0 EHADLO C(=C/[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639320 1132974704 /nfs/dbraw/zinc/97/47/04/1132974704.db2.gz FWTKQWDIBVLLMW-FBRRREGBSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C/[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639320 1132974708 /nfs/dbraw/zinc/97/47/08/1132974708.db2.gz FWTKQWDIBVLLMW-FBRRREGBSA-N 1 2 330.435 3.945 20 0 EHADLO FC(F)(F)Oc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001176642161 1132975589 /nfs/dbraw/zinc/97/55/89/1132975589.db2.gz VJVCHVQJTOHRDD-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO Fc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1Br ZINC001176743777 1132990909 /nfs/dbraw/zinc/99/09/09/1132990909.db2.gz MBPLNGCMLVUDKJ-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO C[C@](CO)([NH2+]C/C(Cl)=C/Cl)c1cccc(Br)c1 ZINC001176818943 1133001971 /nfs/dbraw/zinc/00/19/71/1133001971.db2.gz GELOENAUXLVSBY-HUMZTAOYSA-N 1 2 339.060 3.565 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958311 1133016477 /nfs/dbraw/zinc/01/64/77/1133016477.db2.gz UECSCHALRUQMFS-MRXNPFEDSA-N 1 2 336.439 3.599 20 0 EHADLO c1nc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)sc1-c1ccccc1 ZINC000746487174 1133047694 /nfs/dbraw/zinc/04/76/94/1133047694.db2.gz BFYHDANYNPSKGS-OAHLLOKOSA-N 1 2 330.453 3.538 20 0 EHADLO c1nc(C[N@H+]2CCCC[C@@H]2C2OCCO2)sc1-c1ccccc1 ZINC000746487174 1133047700 /nfs/dbraw/zinc/04/77/00/1133047700.db2.gz BFYHDANYNPSKGS-OAHLLOKOSA-N 1 2 330.453 3.538 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000767770234 1133051367 /nfs/dbraw/zinc/05/13/67/1133051367.db2.gz ICIFYPXUEFXAOL-BOLDSZDNSA-N 1 2 346.525 3.896 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000767770234 1133051373 /nfs/dbraw/zinc/05/13/73/1133051373.db2.gz ICIFYPXUEFXAOL-BOLDSZDNSA-N 1 2 346.525 3.896 20 0 EHADLO O=c1cc(C[N@@H+]2CCc3cccc(F)c3C2)c2cc3c(cc2o1)CCC3 ZINC000767778477 1133052600 /nfs/dbraw/zinc/05/26/00/1133052600.db2.gz KLUJMEOEEBBONV-UHFFFAOYSA-N 1 2 349.405 3.979 20 0 EHADLO O=c1cc(C[N@H+]2CCc3cccc(F)c3C2)c2cc3c(cc2o1)CCC3 ZINC000767778477 1133052605 /nfs/dbraw/zinc/05/26/05/1133052605.db2.gz KLUJMEOEEBBONV-UHFFFAOYSA-N 1 2 349.405 3.979 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2CCC(C)C)c1C ZINC000767937952 1133073500 /nfs/dbraw/zinc/07/35/00/1133073500.db2.gz GZIZIMSQLPUZRK-MRXNPFEDSA-N 1 2 333.476 3.817 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000773679333 1133077240 /nfs/dbraw/zinc/07/72/40/1133077240.db2.gz XCYXQYANOYKWCZ-UHFFFAOYSA-N 1 2 339.222 3.855 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cn1ccc(Br)n1 ZINC000767962744 1133077684 /nfs/dbraw/zinc/07/76/84/1133077684.db2.gz IMDUMSVPFFOXLA-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1ccc(Br)n1 ZINC000767962744 1133077689 /nfs/dbraw/zinc/07/76/89/1133077689.db2.gz IMDUMSVPFFOXLA-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000767964530 1133078499 /nfs/dbraw/zinc/07/84/99/1133078499.db2.gz FIAOLAPUQUOKIC-MAUKXSAKSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000767964530 1133078503 /nfs/dbraw/zinc/07/85/03/1133078503.db2.gz FIAOLAPUQUOKIC-MAUKXSAKSA-N 1 2 334.847 3.610 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cn1ccc(Br)n1 ZINC000767964472 1133078540 /nfs/dbraw/zinc/07/85/40/1133078540.db2.gz FEZCENSKTLQZGD-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cn1ccc(Br)n1 ZINC000767964472 1133078544 /nfs/dbraw/zinc/07/85/44/1133078544.db2.gz FEZCENSKTLQZGD-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000768171637 1133105384 /nfs/dbraw/zinc/10/53/84/1133105384.db2.gz FVZDSLMPEOLIDS-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000768171637 1133105385 /nfs/dbraw/zinc/10/53/85/1133105385.db2.gz FVZDSLMPEOLIDS-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO COc1cccc(Oc2ncccc2C[NH2+]Cc2ncc(C)s2)c1 ZINC001177913418 1133112026 /nfs/dbraw/zinc/11/20/26/1133112026.db2.gz ZHHICCVWHMAUPD-UHFFFAOYSA-N 1 2 341.436 3.937 20 0 EHADLO Clc1ccc(Cl)c(C[NH+]2CCC3(CC2)OCCO3)c1Cl ZINC000768239685 1133112628 /nfs/dbraw/zinc/11/26/28/1133112628.db2.gz KMNMZCPNVXTAFD-UHFFFAOYSA-N 1 2 336.646 3.986 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1occc1Br ZINC000768214090 1133113307 /nfs/dbraw/zinc/11/33/07/1133113307.db2.gz ZKROHFMWOJJSIN-UHFFFAOYSA-N 1 2 328.181 3.692 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1occc1Br ZINC000768214090 1133113309 /nfs/dbraw/zinc/11/33/09/1133113309.db2.gz ZKROHFMWOJJSIN-UHFFFAOYSA-N 1 2 328.181 3.692 20 0 EHADLO C[C@H](C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1)n1cc[nH+]c1 ZINC001177926336 1133113699 /nfs/dbraw/zinc/11/36/99/1133113699.db2.gz HWDWNQOGSLHOCT-SNVBAGLBSA-N 1 2 334.301 3.650 20 0 EHADLO O=C(c1ccccc1-n1cccc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178098677 1133131768 /nfs/dbraw/zinc/13/17/68/1133131768.db2.gz VCHGXYKCJQNAFJ-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101545 1133131989 /nfs/dbraw/zinc/13/19/89/1133131989.db2.gz ZSZNNSRWHFJWAA-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1)O[C@H](C)C2 ZINC000768429960 1133138258 /nfs/dbraw/zinc/13/82/58/1133138258.db2.gz PLRXDEUWUMZXTH-SJKOYZFVSA-N 1 2 328.412 3.652 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cc(C)on1)O[C@H](C)C2 ZINC000768429960 1133138260 /nfs/dbraw/zinc/13/82/60/1133138260.db2.gz PLRXDEUWUMZXTH-SJKOYZFVSA-N 1 2 328.412 3.652 20 0 EHADLO COc1cc(N[C@@H]2CCC[N@H+](C/C(Cl)=C\Cl)C2)cc(OC)c1 ZINC000768553702 1133155745 /nfs/dbraw/zinc/15/57/45/1133155745.db2.gz QYNZLCPFRAJRMJ-CNELAYHGSA-N 1 2 345.270 3.899 20 0 EHADLO COc1cc(N[C@@H]2CCC[N@@H+](C/C(Cl)=C\Cl)C2)cc(OC)c1 ZINC000768553702 1133155747 /nfs/dbraw/zinc/15/57/47/1133155747.db2.gz QYNZLCPFRAJRMJ-CNELAYHGSA-N 1 2 345.270 3.899 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768544651 1133158109 /nfs/dbraw/zinc/15/81/09/1133158109.db2.gz QGPIFXOLYXDDIA-BBRMVZONSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000768544651 1133158115 /nfs/dbraw/zinc/15/81/15/1133158115.db2.gz QGPIFXOLYXDDIA-BBRMVZONSA-N 1 2 349.475 3.820 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ncc(C(C)C)o1)Cc1ccccc1 ZINC000768544854 1133158387 /nfs/dbraw/zinc/15/83/87/1133158387.db2.gz QQNRMCNFGOFBJI-UHFFFAOYSA-N 1 2 330.428 3.753 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ncc(C(C)C)o1)Cc1ccccc1 ZINC000768544854 1133158391 /nfs/dbraw/zinc/15/83/91/1133158391.db2.gz QQNRMCNFGOFBJI-UHFFFAOYSA-N 1 2 330.428 3.753 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1F ZINC001249868761 1133165233 /nfs/dbraw/zinc/16/52/33/1133165233.db2.gz QZQSVPNBFCWKBQ-YMTOWFKASA-N 1 2 348.231 3.629 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1F ZINC001249868761 1133165236 /nfs/dbraw/zinc/16/52/36/1133165236.db2.gz QZQSVPNBFCWKBQ-YMTOWFKASA-N 1 2 348.231 3.629 20 0 EHADLO Cc1ccc2c(/C=C/C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c[nH]c2c1 ZINC001178492818 1133168578 /nfs/dbraw/zinc/16/85/78/1133168578.db2.gz XLXGYPWJLPTISD-YERXGYGTSA-N 1 2 334.423 3.619 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768910473 1133202085 /nfs/dbraw/zinc/20/20/85/1133202085.db2.gz MZOHKXUCFFMPIE-CQSZACIVSA-N 1 2 334.410 3.504 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768910473 1133202091 /nfs/dbraw/zinc/20/20/91/1133202091.db2.gz MZOHKXUCFFMPIE-CQSZACIVSA-N 1 2 334.410 3.504 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn3ccnc3s2)c2ccco2)cc1 ZINC001178966989 1133217918 /nfs/dbraw/zinc/21/79/18/1133217918.db2.gz VRBCFLIHVYXHME-QGZVFWFLSA-N 1 2 339.420 3.877 20 0 EHADLO O=C(N[C@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001178995464 1133219459 /nfs/dbraw/zinc/21/94/59/1133219459.db2.gz YPDLTRLOIPKRMP-BBWFWOEESA-N 1 2 327.472 3.891 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)Cc2cncc3ccccc32)[nH+]1 ZINC001179092407 1133227217 /nfs/dbraw/zinc/22/72/17/1133227217.db2.gz MOJHFQLNENELFW-CQSZACIVSA-N 1 2 336.439 3.576 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@H](C)Cc2cncc3ccccc32)c[nH+]1 ZINC001179092407 1133227222 /nfs/dbraw/zinc/22/72/22/1133227222.db2.gz MOJHFQLNENELFW-CQSZACIVSA-N 1 2 336.439 3.576 20 0 EHADLO Cc1ccc2[nH+]cc(CN[C@@H](CCc3ccccc3)C(F)F)n2c1 ZINC001179159780 1133233573 /nfs/dbraw/zinc/23/35/73/1133233573.db2.gz RCHNODFDOKDURH-KRWDZBQOSA-N 1 2 329.394 3.999 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccoc3)CC2)c(Cl)c1 ZINC001204243272 1133245105 /nfs/dbraw/zinc/24/51/05/1133245105.db2.gz OQJJKCXMFFJXOQ-UHFFFAOYSA-N 1 2 325.239 3.904 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1noc2ccccc12 ZINC001179571100 1133260197 /nfs/dbraw/zinc/26/01/97/1133260197.db2.gz YFBGOJVLJAPSHU-UHFFFAOYSA-N 1 2 347.212 3.889 20 0 EHADLO CCc1cccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c1O ZINC001179614838 1133264855 /nfs/dbraw/zinc/26/48/55/1133264855.db2.gz VYVPTHZDGYQWTK-UHFFFAOYSA-N 1 2 333.391 3.767 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)cc1 ZINC001204261511 1133349183 /nfs/dbraw/zinc/34/91/83/1133349183.db2.gz JWLROMMMFMUOMF-UHFFFAOYSA-N 1 2 330.859 3.930 20 0 EHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001180301379 1133354196 /nfs/dbraw/zinc/35/41/96/1133354196.db2.gz MQLVJKFOLHHELR-HIFRSBDPSA-N 1 2 349.381 3.651 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(Cc2ccccc2)no1 ZINC000769853052 1133356043 /nfs/dbraw/zinc/35/60/43/1133356043.db2.gz WEVVTGLDYPXYMG-AWEZNQCLSA-N 1 2 335.407 3.541 20 0 EHADLO Fc1ccc(/C=C/C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 ZINC001180375504 1133363005 /nfs/dbraw/zinc/36/30/05/1133363005.db2.gz SGDOAEYQYUAXHA-OWOJBTEDSA-N 1 2 349.812 3.849 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1OC(F)F ZINC001180372028 1133367294 /nfs/dbraw/zinc/36/72/94/1133367294.db2.gz GTMHIYYKEJBFSB-UHFFFAOYSA-N 1 2 336.357 3.749 20 0 EHADLO CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1OC(F)F ZINC000770071999 1133384018 /nfs/dbraw/zinc/38/40/18/1133384018.db2.gz ZBZRLWULXBSKMF-CYBMUJFWSA-N 1 2 345.349 3.817 20 0 EHADLO COC(=O)c1cc2ccccc2cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770075062 1133384928 /nfs/dbraw/zinc/38/49/28/1133384928.db2.gz OTNRVOCHHQMVSS-UHFFFAOYSA-N 1 2 345.358 3.526 20 0 EHADLO CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770063993 1133387895 /nfs/dbraw/zinc/38/78/95/1133387895.db2.gz HCWLSLASWKKKGS-UHFFFAOYSA-N 1 2 336.395 3.571 20 0 EHADLO CC(C)Oc1ncc(C(=O)OCc2cccc3[nH+]ccn32)cc1Cl ZINC000770156061 1133396246 /nfs/dbraw/zinc/39/62/46/1133396246.db2.gz FYFQZAYTRWQXGO-UHFFFAOYSA-N 1 2 345.786 3.527 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)s1 ZINC000770302502 1133408155 /nfs/dbraw/zinc/40/81/55/1133408155.db2.gz GDQJZIAXXCVMMO-XJKSGUPXSA-N 1 2 337.510 3.697 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)s1 ZINC000770302502 1133408158 /nfs/dbraw/zinc/40/81/58/1133408158.db2.gz GDQJZIAXXCVMMO-XJKSGUPXSA-N 1 2 337.510 3.697 20 0 EHADLO CN(CCc1cccc2ccccc21)C(=O)c1cccc2[nH+]ccn21 ZINC000770416667 1133425679 /nfs/dbraw/zinc/42/56/79/1133425679.db2.gz WVKYKJUERUMGEQ-UHFFFAOYSA-N 1 2 329.403 3.802 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1Cc1ccc(CF)cc1)c1ccccc1 ZINC000770665912 1133457109 /nfs/dbraw/zinc/45/71/09/1133457109.db2.gz SIVOVYWMYNSMFN-IBGZPJMESA-N 1 2 327.399 3.630 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc(CF)cc1)c1ccccc1 ZINC000770665912 1133457113 /nfs/dbraw/zinc/45/71/13/1133457113.db2.gz SIVOVYWMYNSMFN-IBGZPJMESA-N 1 2 327.399 3.630 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CCO1 ZINC000770690353 1133462517 /nfs/dbraw/zinc/46/25/17/1133462517.db2.gz VPCIVJGZZUPUMQ-AWEZNQCLSA-N 1 2 331.428 3.627 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CCO1 ZINC000770690353 1133462520 /nfs/dbraw/zinc/46/25/20/1133462520.db2.gz VPCIVJGZZUPUMQ-AWEZNQCLSA-N 1 2 331.428 3.627 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)C1 ZINC001181359600 1133480639 /nfs/dbraw/zinc/48/06/39/1133480639.db2.gz CXIBDCSLYGXAQK-GOEBONIOSA-N 1 2 345.874 3.680 20 0 EHADLO COc1cc2ccccc2cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770911425 1133480788 /nfs/dbraw/zinc/48/07/88/1133480788.db2.gz VMLWMASRSZNLQM-UHFFFAOYSA-N 1 2 332.359 3.853 20 0 EHADLO COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770923898 1133484763 /nfs/dbraw/zinc/48/47/63/1133484763.db2.gz DFIYJFQXBFSWGI-OAHLLOKOSA-N 1 2 338.407 3.655 20 0 EHADLO O=C(CSc1ccccc1Cl)OCc1cccc2[nH+]ccn21 ZINC000770922446 1133485039 /nfs/dbraw/zinc/48/50/39/1133485039.db2.gz NVQUTFJXPLGOOC-UHFFFAOYSA-N 1 2 332.812 3.823 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC001181900335 1133548917 /nfs/dbraw/zinc/54/89/17/1133548917.db2.gz DCQKPXITUJOVFL-CYBMUJFWSA-N 1 2 330.266 3.916 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001181900335 1133548919 /nfs/dbraw/zinc/54/89/19/1133548919.db2.gz DCQKPXITUJOVFL-CYBMUJFWSA-N 1 2 330.266 3.916 20 0 EHADLO O=C(C1c2ccccc2-c2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001181916010 1133550971 /nfs/dbraw/zinc/55/09/71/1133550971.db2.gz WFBJIBXRKJTLPE-UHFFFAOYSA-N 1 2 343.430 3.928 20 0 EHADLO O=C(C1c2ccccc2-c2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001181916010 1133550975 /nfs/dbraw/zinc/55/09/75/1133550975.db2.gz WFBJIBXRKJTLPE-UHFFFAOYSA-N 1 2 343.430 3.928 20 0 EHADLO COc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(Cl)cc1O ZINC001181985574 1133557357 /nfs/dbraw/zinc/55/73/57/1133557357.db2.gz DGLASOYBYVWERC-UHFFFAOYSA-N 1 2 345.826 3.807 20 0 EHADLO COc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(Cl)cc1O ZINC001181985574 1133557363 /nfs/dbraw/zinc/55/73/63/1133557363.db2.gz DGLASOYBYVWERC-UHFFFAOYSA-N 1 2 345.826 3.807 20 0 EHADLO O=C(Nc1cccc(N2CCCCC2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000771503631 1133567260 /nfs/dbraw/zinc/56/72/60/1133567260.db2.gz OKOINLRLQPZOCW-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(CC3CCC3)c2)no1 ZINC001182152041 1133578989 /nfs/dbraw/zinc/57/89/89/1133578989.db2.gz HPFRBZINOFMYSF-UHFFFAOYSA-N 1 2 342.439 3.829 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001182147550 1133579096 /nfs/dbraw/zinc/57/90/96/1133579096.db2.gz INRJUROEONIVKR-VSZNYVQBSA-N 1 2 347.503 3.593 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)C1(c2cccc(Cl)c2)CCC1 ZINC001182257472 1133603825 /nfs/dbraw/zinc/60/38/25/1133603825.db2.gz XKGOBGANWINKFQ-UHFFFAOYSA-N 1 2 343.858 4.000 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000771897876 1133613377 /nfs/dbraw/zinc/61/33/77/1133613377.db2.gz ZTHULUPPXJDLAN-UHFFFAOYSA-N 1 2 345.402 3.743 20 0 EHADLO COc1ccc(-c2ccc(C(=O)OCCn3cc[nH+]c3)c(F)c2)cc1 ZINC000771957461 1133620684 /nfs/dbraw/zinc/62/06/84/1133620684.db2.gz IJFZTJHSJBLOIM-UHFFFAOYSA-N 1 2 340.354 3.555 20 0 EHADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000771979963 1133623283 /nfs/dbraw/zinc/62/32/83/1133623283.db2.gz SUCSUXXABMTFTI-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206505559 1133651574 /nfs/dbraw/zinc/65/15/74/1133651574.db2.gz RGIDMNNXTKFGEJ-NSHDSACASA-N 1 2 341.146 3.568 20 0 EHADLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206505559 1133651577 /nfs/dbraw/zinc/65/15/77/1133651577.db2.gz RGIDMNNXTKFGEJ-NSHDSACASA-N 1 2 341.146 3.568 20 0 EHADLO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1)C(F)(F)F ZINC000781345713 1133685852 /nfs/dbraw/zinc/68/58/52/1133685852.db2.gz VYRCBAJEGVQLLE-AWEZNQCLSA-N 1 2 344.764 3.660 20 0 EHADLO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1)C(F)(F)F ZINC000781345713 1133685854 /nfs/dbraw/zinc/68/58/54/1133685854.db2.gz VYRCBAJEGVQLLE-AWEZNQCLSA-N 1 2 344.764 3.660 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC(C)(C)C ZINC001182555218 1133696016 /nfs/dbraw/zinc/69/60/16/1133696016.db2.gz NNTRJQTUKAEXEW-YPMHNXCESA-N 1 2 348.874 3.998 20 0 EHADLO Cc1cc2c(o1)c(C(=O)OCCn1cc[nH+]c1)ccc2Br ZINC000785808645 1133754185 /nfs/dbraw/zinc/75/41/85/1133754185.db2.gz ISHDAMOVYHCSLA-UHFFFAOYSA-N 1 2 349.184 3.557 20 0 EHADLO CCc1cccc(Cl)c1C[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC001182999204 1133755952 /nfs/dbraw/zinc/75/59/52/1133755952.db2.gz HRNHRVILDXOXRP-UHFFFAOYSA-N 1 2 336.907 3.983 20 0 EHADLO COC(=O)CCc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000786118600 1133802689 /nfs/dbraw/zinc/80/26/89/1133802689.db2.gz XBIIHTZMDKIXHS-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@H+](Cc1c3c(nn1C)CCCC3)CC2 ZINC001183454774 1133809963 /nfs/dbraw/zinc/80/99/63/1133809963.db2.gz NPRIFBZHWNLQQQ-UHFFFAOYSA-N 1 2 329.875 3.819 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1c3c(nn1C)CCCC3)CC2 ZINC001183454774 1133809968 /nfs/dbraw/zinc/80/99/68/1133809968.db2.gz NPRIFBZHWNLQQQ-UHFFFAOYSA-N 1 2 329.875 3.819 20 0 EHADLO COc1cccc(COc2ccc(C[NH+]3CC(OC(C)C)C3)cc2)c1 ZINC001183629493 1133838213 /nfs/dbraw/zinc/83/82/13/1133838213.db2.gz CSQYOAGVXSXOTR-UHFFFAOYSA-N 1 2 341.451 3.883 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc2scnc21 ZINC001183753478 1133853883 /nfs/dbraw/zinc/85/38/83/1133853883.db2.gz SPQDAZOGFWMSPO-INIZCTEOSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc2scnc21 ZINC001183753478 1133853891 /nfs/dbraw/zinc/85/38/91/1133853891.db2.gz SPQDAZOGFWMSPO-INIZCTEOSA-N 1 2 337.448 3.818 20 0 EHADLO O=C(Nc1cccc2cncc(F)c21)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183753792 1133854605 /nfs/dbraw/zinc/85/46/05/1133854605.db2.gz VBBWEFGSGWVSAT-SFHVURJKSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1cccc2cncc(F)c21)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183753792 1133854610 /nfs/dbraw/zinc/85/46/10/1133854610.db2.gz VBBWEFGSGWVSAT-SFHVURJKSA-N 1 2 335.382 3.587 20 0 EHADLO COc1ccc(-c2ccccc2NC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC001183933985 1133874238 /nfs/dbraw/zinc/87/42/38/1133874238.db2.gz CPVLUZKYMUVTEI-UHFFFAOYSA-N 1 2 347.418 3.911 20 0 EHADLO COC(=O)CCc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000786576336 1133876570 /nfs/dbraw/zinc/87/65/70/1133876570.db2.gz FLUWDBFHEZDCEF-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO CCc1cc(NCc2cccc(C(=O)N[C@@H](C)CC)c2)nc(CC)[nH+]1 ZINC001184885117 1133997391 /nfs/dbraw/zinc/99/73/91/1133997391.db2.gz HTHKPDMVQPGIOG-AWEZNQCLSA-N 1 2 340.471 3.742 20 0 EHADLO COC(=O)c1cnc2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2c1 ZINC001184964508 1134008391 /nfs/dbraw/zinc/00/83/91/1134008391.db2.gz LDUYVHRFCQZVIY-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO O=C(Nc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(F)c(F)c1F ZINC001185293780 1134065817 /nfs/dbraw/zinc/06/58/17/1134065817.db2.gz ATHYAKDTYVOLLO-UHFFFAOYSA-N 1 2 336.317 3.743 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000787983710 1134066731 /nfs/dbraw/zinc/06/67/31/1134066731.db2.gz JZNZEHDHXVLSLK-CQSZACIVSA-N 1 2 338.238 3.938 20 0 EHADLO Cc1cccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000788331060 1134109954 /nfs/dbraw/zinc/10/99/54/1134109954.db2.gz FTGDNLYTBMAMPM-MRXNPFEDSA-N 1 2 327.453 3.549 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788332031 1134110060 /nfs/dbraw/zinc/11/00/60/1134110060.db2.gz IUGFFVPEBKWVDI-OAHLLOKOSA-N 1 2 333.844 3.585 20 0 EHADLO CN(C)c1cc(CSCc2ncc(Br)s2)cc[nH+]1 ZINC000788410009 1134124411 /nfs/dbraw/zinc/12/44/11/1134124411.db2.gz HUQZYXUIBBUKDN-UHFFFAOYSA-N 1 2 344.303 3.800 20 0 EHADLO CCc1c[nH]c2nc[nH+]c(Nc3ccc(C[C@@H](C)C(=O)OC)cc3)c12 ZINC001186060888 1134167479 /nfs/dbraw/zinc/16/74/79/1134167479.db2.gz BSZQSGHAZVJKAX-GFCCVEGCSA-N 1 2 338.411 3.616 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC(F)(F)c1ccccc1 ZINC000788860635 1134184313 /nfs/dbraw/zinc/18/43/13/1134184313.db2.gz GVSGAGFWELSTRB-UHFFFAOYSA-N 1 2 331.370 3.785 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001186342096 1134205090 /nfs/dbraw/zinc/20/50/90/1134205090.db2.gz BRTUOXPTRPZLOJ-MRXNPFEDSA-N 1 2 345.487 3.609 20 0 EHADLO Cc1cccn2c(CNC(=O)N[C@@H]3CCCc4ccccc43)c[nH+]c12 ZINC001186463583 1134225309 /nfs/dbraw/zinc/22/53/09/1134225309.db2.gz WAEYAXXRZURIEL-GOSISDBHSA-N 1 2 334.423 3.520 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[NH+]2CCC(CC(F)(F)F)CC2)C(=O)O1 ZINC000789532582 1134292587 /nfs/dbraw/zinc/29/25/87/1134292587.db2.gz XTEBEBIZNBSIDW-CYBMUJFWSA-N 1 2 336.398 3.865 20 0 EHADLO Cc1ccccc1CC(N)=[NH+]O[C@H](C)c1noc(-c2ccccc2)n1 ZINC000789597971 1134303686 /nfs/dbraw/zinc/30/36/86/1134303686.db2.gz VVIOYOZSZCVWHT-CQSZACIVSA-N 1 2 336.395 3.847 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC001273537550 1134314934 /nfs/dbraw/zinc/31/49/34/1134314934.db2.gz WWHKQTBSGMNWAN-UHFFFAOYSA-N 1 2 345.324 3.970 20 0 EHADLO COCCOc1cc(NCc2ccccc2-c2cccnc2)cc[nH+]1 ZINC001170116879 1134325351 /nfs/dbraw/zinc/32/53/51/1134325351.db2.gz ZJVWGFGUSRHSMF-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)OCCCc1[nH+]ccn1C ZINC000789791273 1134334643 /nfs/dbraw/zinc/33/46/43/1134334643.db2.gz JDYMGNHBMKGOPQ-UHFFFAOYSA-N 1 2 333.457 3.632 20 0 EHADLO CC(C)c1nc(CCNc2cc(C(C)C)[nH+]c(C(C)C)n2)n(C)n1 ZINC001187616189 1134357017 /nfs/dbraw/zinc/35/70/17/1134357017.db2.gz UHOGFDVVMLCKKM-UHFFFAOYSA-N 1 2 330.480 3.630 20 0 EHADLO COc1cccc2c(NCc3ccnc(-c4cnn(C)c4)c3)cc[nH+]c12 ZINC001170124782 1134361776 /nfs/dbraw/zinc/36/17/76/1134361776.db2.gz DWSGGVALNRTDDF-UHFFFAOYSA-N 1 2 345.406 3.651 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=S)Nc1ccsc1)c1ccccc1 ZINC000790319757 1134395343 /nfs/dbraw/zinc/39/53/43/1134395343.db2.gz IUQXPCSCWHRJOM-HNNXBMFYSA-N 1 2 342.493 3.752 20 0 EHADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(c3ccsc3)CC1)C2 ZINC000790441942 1134418133 /nfs/dbraw/zinc/41/81/33/1134418133.db2.gz SEFAGHWASMYUAE-UHFFFAOYSA-N 1 2 342.464 3.550 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001250263801 1134418306 /nfs/dbraw/zinc/41/83/06/1134418306.db2.gz SCYMUEJTTBPHHR-NSHDSACASA-N 1 2 325.733 3.845 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001250263801 1134418309 /nfs/dbraw/zinc/41/83/09/1134418309.db2.gz SCYMUEJTTBPHHR-NSHDSACASA-N 1 2 325.733 3.845 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790545826 1134438270 /nfs/dbraw/zinc/43/82/70/1134438270.db2.gz GJVRULSNWKLFER-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH+](C)C1 ZINC001188220723 1134443227 /nfs/dbraw/zinc/44/32/27/1134443227.db2.gz KVTFFVCGJXIGFA-UHFFFAOYSA-N 1 2 335.757 3.527 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000790626373 1134446881 /nfs/dbraw/zinc/44/68/81/1134446881.db2.gz HBADWDSYCREJEF-AWEZNQCLSA-N 1 2 339.292 3.631 20 0 EHADLO CC[C@H](c1nnc(SCc2ccc[nH+]c2N)o1)c1ccccc1 ZINC001188743166 1134503802 /nfs/dbraw/zinc/50/38/02/1134503802.db2.gz GOXCOYRBLBBKLJ-AWEZNQCLSA-N 1 2 326.425 3.881 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1nc(Cl)ccc1C(F)(F)F ZINC001188763457 1134505811 /nfs/dbraw/zinc/50/58/11/1134505811.db2.gz COIGMMDCARQVEP-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO O=C(NCCCCc1ccc(Cl)s1)c1cccc2[nH+]ccn21 ZINC000791096625 1134509094 /nfs/dbraw/zinc/50/90/94/1134509094.db2.gz GLXMGURLHYUQOV-UHFFFAOYSA-N 1 2 333.844 3.802 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(N)cc1Cl ZINC000791345678 1134534536 /nfs/dbraw/zinc/53/45/36/1134534536.db2.gz JYCHGGARIWLIMM-UHFFFAOYSA-N 1 2 341.798 3.773 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001189071298 1134535733 /nfs/dbraw/zinc/53/57/33/1134535733.db2.gz DZONQVLZQKZHAO-UHFFFAOYSA-N 1 2 342.418 3.567 20 0 EHADLO CC(=O)c1csc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791374454 1134536378 /nfs/dbraw/zinc/53/63/78/1134536378.db2.gz PNUFRECLZZQKGS-UHFFFAOYSA-N 1 2 340.404 3.802 20 0 EHADLO COc1cccc(F)c1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791400671 1134544929 /nfs/dbraw/zinc/54/49/29/1134544929.db2.gz VQQKCJUGOGAPKR-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO COc1cccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1F ZINC000791431998 1134549224 /nfs/dbraw/zinc/54/92/24/1134549224.db2.gz CCJZYNAGYNVEIY-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2c(C)cc(F)cc2C)CC1 ZINC001189278457 1134560507 /nfs/dbraw/zinc/56/05/07/1134560507.db2.gz CCLUMBUHRRYBTA-UHFFFAOYSA-N 1 2 341.430 3.525 20 0 EHADLO O=C(Nc1c(Cl)cccc1C(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC001189471757 1134587005 /nfs/dbraw/zinc/58/70/05/1134587005.db2.gz MVJHAYAJDVEWTM-UHFFFAOYSA-N 1 2 344.724 3.603 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775268356 1134601952 /nfs/dbraw/zinc/60/19/52/1134601952.db2.gz YSQIOLKUDNEFGQ-ZDUSSCGKSA-N 1 2 325.412 3.530 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791752124 1134602205 /nfs/dbraw/zinc/60/22/05/1134602205.db2.gz SOZZZJCPEYEIPI-AWEZNQCLSA-N 1 2 328.412 3.606 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791946132 1134630802 /nfs/dbraw/zinc/63/08/02/1134630802.db2.gz WZIWLOKVHFEPFQ-AWEZNQCLSA-N 1 2 327.428 3.786 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791946134 1134630871 /nfs/dbraw/zinc/63/08/71/1134630871.db2.gz WZIWLOKVHFEPFQ-CQSZACIVSA-N 1 2 327.428 3.786 20 0 EHADLO CS(=O)(=O)c1cccc(SCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001189994172 1134647565 /nfs/dbraw/zinc/64/75/65/1134647565.db2.gz GSIBYORLJOXBQE-UHFFFAOYSA-N 1 2 344.461 3.568 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000775344379 1134656510 /nfs/dbraw/zinc/65/65/10/1134656510.db2.gz GSJPRKHFGPYXOJ-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000775344379 1134656513 /nfs/dbraw/zinc/65/65/13/1134656513.db2.gz GSJPRKHFGPYXOJ-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO O=C(Nc1cc(-c2ccncn2)cs1)c1ccccc1-n1cc[nH+]c1 ZINC001190085110 1134658948 /nfs/dbraw/zinc/65/89/48/1134658948.db2.gz CDQMFEIMHDAZOY-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)NCc1ccc(Cl)cc1Cl ZINC001190114486 1134661022 /nfs/dbraw/zinc/66/10/22/1134661022.db2.gz OWVOSANGPMWWKE-UHFFFAOYSA-N 1 2 341.242 3.770 20 0 EHADLO COc1ccccc1Cc1cn(CC(=O)c2cc(F)ccc2F)c[nH+]1 ZINC001190273882 1134674978 /nfs/dbraw/zinc/67/49/78/1134674978.db2.gz NKYFALFFLJMPLK-UHFFFAOYSA-N 1 2 342.345 3.644 20 0 EHADLO c1coc(COCc2cccc(C[NH2+][C@H]3CCCc4[nH]ncc43)c2)c1 ZINC000796695607 1134685602 /nfs/dbraw/zinc/68/56/02/1134685602.db2.gz PVJDLQLGYOQCSK-IBGZPJMESA-N 1 2 337.423 3.887 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001190396134 1134690809 /nfs/dbraw/zinc/69/08/09/1134690809.db2.gz VCKFVDLYUGSVRE-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO Cc1cc(OC(=O)CCCn2cc[nH+]c2)cc(C)c1Br ZINC000792571634 1134710168 /nfs/dbraw/zinc/71/01/68/1134710168.db2.gz LQOVBSDBJPIUIC-UHFFFAOYSA-N 1 2 337.217 3.648 20 0 EHADLO C[C@@H]1CC[C@@](C)(/C=C/C(=O)N2CCc3cc[nH+]c(N)c3C2)C1(C)C ZINC001170267420 1134728786 /nfs/dbraw/zinc/72/87/86/1134728786.db2.gz AMONZVGESDPMOQ-GDHZYWCQSA-N 1 2 327.472 3.567 20 0 EHADLO CCOC(=O)C[N@H+](CCCOc1ccccc1C)Cc1ccccc1 ZINC001190636013 1134729675 /nfs/dbraw/zinc/72/96/75/1134729675.db2.gz ZJDSKIHZLUJLKM-UHFFFAOYSA-N 1 2 341.451 3.829 20 0 EHADLO CCOC(=O)C[N@@H+](CCCOc1ccccc1C)Cc1ccccc1 ZINC001190636013 1134729678 /nfs/dbraw/zinc/72/96/78/1134729678.db2.gz ZJDSKIHZLUJLKM-UHFFFAOYSA-N 1 2 341.451 3.829 20 0 EHADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)N(C)C ZINC001190723287 1134742978 /nfs/dbraw/zinc/74/29/78/1134742978.db2.gz INKIKIRJMVSVLE-QGZVFWFLSA-N 1 2 337.895 3.554 20 0 EHADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)N(C)C ZINC001190723287 1134742983 /nfs/dbraw/zinc/74/29/83/1134742983.db2.gz INKIKIRJMVSVLE-QGZVFWFLSA-N 1 2 337.895 3.554 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000792707196 1134783013 /nfs/dbraw/zinc/78/30/13/1134783013.db2.gz LRRDLRSGXOEXDL-INIZCTEOSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000792707196 1134783020 /nfs/dbraw/zinc/78/30/20/1134783020.db2.gz LRRDLRSGXOEXDL-INIZCTEOSA-N 1 2 344.405 3.679 20 0 EHADLO C[C@@]12CC[N@H+](Cc3nc4cc(F)ccc4o3)C[C@@H]1C2(Cl)Cl ZINC000792910028 1134814921 /nfs/dbraw/zinc/81/49/21/1134814921.db2.gz VGQRNLUONZOCFR-GXTWGEPZSA-N 1 2 329.202 3.983 20 0 EHADLO C[C@@]12CC[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@@H]1C2(Cl)Cl ZINC000792910028 1134814931 /nfs/dbraw/zinc/81/49/31/1134814931.db2.gz VGQRNLUONZOCFR-GXTWGEPZSA-N 1 2 329.202 3.983 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)o1 ZINC001191208875 1134816326 /nfs/dbraw/zinc/81/63/26/1134816326.db2.gz XALUBGZVGIYGDC-QGZVFWFLSA-N 1 2 335.407 3.998 20 0 EHADLO CCCCc1nnc(NC(=O)C[NH+]2CCC(CC(C)C)CC2)s1 ZINC001191496485 1134873969 /nfs/dbraw/zinc/87/39/69/1134873969.db2.gz QCEAEJWVBVLELB-UHFFFAOYSA-N 1 2 338.521 3.577 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)OCCc3c[nH+]cn3C)c2c1 ZINC000793251778 1134889220 /nfs/dbraw/zinc/88/92/20/1134889220.db2.gz IFVHWZZOSYXBCT-UHFFFAOYSA-N 1 2 335.407 3.554 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)OCCc1c[nH+]cn1C ZINC000793255520 1134889817 /nfs/dbraw/zinc/88/98/17/1134889817.db2.gz LUVSPUJBZPDGHB-UHFFFAOYSA-N 1 2 335.407 3.588 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000793485790 1134939455 /nfs/dbraw/zinc/93/94/55/1134939455.db2.gz DBUPZXSYPUVFOR-SFTDATJTSA-N 1 2 334.463 3.872 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000793485790 1134939463 /nfs/dbraw/zinc/93/94/63/1134939463.db2.gz DBUPZXSYPUVFOR-SFTDATJTSA-N 1 2 334.463 3.872 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000793486387 1134940116 /nfs/dbraw/zinc/94/01/16/1134940116.db2.gz MNWBYWWCNVXCLU-FPOVZHCZSA-N 1 2 349.478 3.657 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000793486387 1134940121 /nfs/dbraw/zinc/94/01/21/1134940121.db2.gz MNWBYWWCNVXCLU-FPOVZHCZSA-N 1 2 349.478 3.657 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793568197 1134958443 /nfs/dbraw/zinc/95/84/43/1134958443.db2.gz AIIDBQJJFUHGRJ-HNNXBMFYSA-N 1 2 340.858 3.963 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793568197 1134958445 /nfs/dbraw/zinc/95/84/45/1134958445.db2.gz AIIDBQJJFUHGRJ-HNNXBMFYSA-N 1 2 340.858 3.963 20 0 EHADLO CCc1onc(C)c1C[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252632 1134985301 /nfs/dbraw/zinc/98/53/01/1134985301.db2.gz JIZXZANJMSSRAY-HZPDHXFCSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1onc(C)c1C[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252632 1134985303 /nfs/dbraw/zinc/98/53/03/1134985303.db2.gz JIZXZANJMSSRAY-HZPDHXFCSA-N 1 2 327.472 3.640 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)C2CC2)CC1 ZINC001192324874 1134999530 /nfs/dbraw/zinc/99/95/30/1134999530.db2.gz MGOOBMQIOJQSEI-UHFFFAOYSA-N 1 2 344.474 3.754 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+]2CCc3cc(F)ccc3C2)C2CC2)CC1 ZINC001192324874 1134999535 /nfs/dbraw/zinc/99/95/35/1134999535.db2.gz MGOOBMQIOJQSEI-UHFFFAOYSA-N 1 2 344.474 3.754 20 0 EHADLO Cc1cc(NC2CCN(CC(F)(F)F)CC2)[nH+]cc1C(F)(F)F ZINC001170440549 1135009103 /nfs/dbraw/zinc/00/91/03/1135009103.db2.gz PUJHINBEIXUOSO-UHFFFAOYSA-N 1 2 341.299 3.847 20 0 EHADLO CCc1ccc(N(CC(C)C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000794125091 1135021070 /nfs/dbraw/zinc/02/10/70/1135021070.db2.gz BSMJYULZYAHDFM-KRWDZBQOSA-N 1 2 325.456 3.697 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000794206392 1135027857 /nfs/dbraw/zinc/02/78/57/1135027857.db2.gz MLPLDAPVGVTYJS-UHFFFAOYSA-N 1 2 345.358 3.744 20 0 EHADLO Cc1cccc2c1[C@@H](OC(=O)c1cccc(Cn3cc[nH+]c3)c1)CCO2 ZINC001129421100 1135054391 /nfs/dbraw/zinc/05/43/91/1135054391.db2.gz RTNPKXUNGHSBLG-IBGZPJMESA-N 1 2 348.402 3.920 20 0 EHADLO Cc1c(C(=O)Nc2ccn3cc[nH+]c3c2)ccn1Cc1ccccc1 ZINC001129482730 1135069460 /nfs/dbraw/zinc/06/94/60/1135069460.db2.gz XSMNQNGHGREIMY-UHFFFAOYSA-N 1 2 330.391 3.745 20 0 EHADLO CCc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC001192952649 1135076112 /nfs/dbraw/zinc/07/61/12/1135076112.db2.gz IANNJXJFYOMILH-YRNVUSSQSA-N 1 2 334.463 3.720 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804440511 1135077614 /nfs/dbraw/zinc/07/76/14/1135077614.db2.gz IEKMDPMCULKFCL-LBPRGKRZSA-N 1 2 347.846 3.992 20 0 EHADLO CCOC(=O)C[N@H+](CC[C@H](O)c1ccccc1)[C@H](C)c1ccccc1 ZINC001192965312 1135084975 /nfs/dbraw/zinc/08/49/75/1135084975.db2.gz PFESULNNZMHOMY-XLIONFOSSA-N 1 2 341.451 3.736 20 0 EHADLO CCOC(=O)C[N@@H+](CC[C@H](O)c1ccccc1)[C@H](C)c1ccccc1 ZINC001192965312 1135084980 /nfs/dbraw/zinc/08/49/80/1135084980.db2.gz PFESULNNZMHOMY-XLIONFOSSA-N 1 2 341.451 3.736 20 0 EHADLO c1c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)nnn1Cc1ccccc1 ZINC000775568005 1135094951 /nfs/dbraw/zinc/09/49/51/1135094951.db2.gz KXADUAIMHOHXIS-NRFANRHFSA-N 1 2 347.466 3.839 20 0 EHADLO c1c(C[N@H+]2CCCCC[C@H]2c2ccncc2)nnn1Cc1ccccc1 ZINC000775568005 1135094957 /nfs/dbraw/zinc/09/49/57/1135094957.db2.gz KXADUAIMHOHXIS-NRFANRHFSA-N 1 2 347.466 3.839 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC001193143360 1135108485 /nfs/dbraw/zinc/10/84/85/1135108485.db2.gz YTHLIAKOHGIULY-CQSZACIVSA-N 1 2 338.386 3.953 20 0 EHADLO C[C@H]([C@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC001129588351 1135116432 /nfs/dbraw/zinc/11/64/32/1135116432.db2.gz UPDBIMJZQOIDLR-JKSUJKDBSA-N 1 2 327.472 3.866 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OCc2ccncc2)cc1 ZINC001129594659 1135117616 /nfs/dbraw/zinc/11/76/16/1135117616.db2.gz WIWNLRVVOSRQIN-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO Cc1ccc(C(C)(C)[NH2+]Cc2sncc2Br)cn1 ZINC001193272608 1135120861 /nfs/dbraw/zinc/12/08/61/1135120861.db2.gz OORWCRYJCREULR-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO CC(C)c1csc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001193509835 1135149233 /nfs/dbraw/zinc/14/92/33/1135149233.db2.gz ASXYNGUZVUNQLP-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C(F)(F)F)o1 ZINC001194414529 1135266726 /nfs/dbraw/zinc/26/67/26/1135266726.db2.gz NXRAKVOYCFJFFZ-UHFFFAOYSA-N 1 2 349.312 3.756 20 0 EHADLO CSc1ccc(OCCOC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000805525885 1135284139 /nfs/dbraw/zinc/28/41/39/1135284139.db2.gz OGQCPCHODPWKCW-GOSISDBHSA-N 1 2 345.464 3.633 20 0 EHADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194754457 1135318209 /nfs/dbraw/zinc/31/82/09/1135318209.db2.gz FBYVKNXPGDXIMT-OAHLLOKOSA-N 1 2 330.435 3.845 20 0 EHADLO C[C@H](c1nccc(N)n1)[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194754457 1135318216 /nfs/dbraw/zinc/31/82/16/1135318216.db2.gz FBYVKNXPGDXIMT-OAHLLOKOSA-N 1 2 330.435 3.845 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cnc(Cl)s2)C1 ZINC000805766583 1135330187 /nfs/dbraw/zinc/33/01/87/1135330187.db2.gz NDAYLKDFXBUYJR-NWDGAFQWSA-N 1 2 340.901 3.797 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cnc(Cl)s2)C1 ZINC000805766583 1135330189 /nfs/dbraw/zinc/33/01/89/1135330189.db2.gz NDAYLKDFXBUYJR-NWDGAFQWSA-N 1 2 340.901 3.797 20 0 EHADLO CC(C)C[C@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1ccccn1 ZINC001194917323 1135340033 /nfs/dbraw/zinc/34/00/33/1135340033.db2.gz KVIOSABNFMVOGO-IBGZPJMESA-N 1 2 348.450 3.999 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cc(CC(C)(C)C)no2)c1 ZINC001194888029 1135342758 /nfs/dbraw/zinc/34/27/58/1135342758.db2.gz SLCFQQUTEDNWHC-UHFFFAOYSA-N 1 2 338.411 3.916 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CCCN1c1ccccc1 ZINC001195015113 1135349969 /nfs/dbraw/zinc/34/99/69/1135349969.db2.gz SDIPWRJPVCXDNN-LJQANCHMSA-N 1 2 340.854 3.894 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CCCN1c1ccccc1 ZINC001195015113 1135349973 /nfs/dbraw/zinc/34/99/73/1135349973.db2.gz SDIPWRJPVCXDNN-LJQANCHMSA-N 1 2 340.854 3.894 20 0 EHADLO Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001195268660 1135402859 /nfs/dbraw/zinc/40/28/59/1135402859.db2.gz XTKKRVGQZYHINW-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(OC(F)F)cc1)C1CCC1 ZINC001195630796 1135444971 /nfs/dbraw/zinc/44/49/71/1135444971.db2.gz NAOMLDCEMPPROE-UHFFFAOYSA-N 1 2 341.398 3.984 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CCC1 ZINC001195630796 1135444973 /nfs/dbraw/zinc/44/49/73/1135444973.db2.gz NAOMLDCEMPPROE-UHFFFAOYSA-N 1 2 341.398 3.984 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195794886 1135470530 /nfs/dbraw/zinc/47/05/30/1135470530.db2.gz MRPSTEUJVBYGIH-UHFFFAOYSA-N 1 2 348.468 3.819 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001195833619 1135478910 /nfs/dbraw/zinc/47/89/10/1135478910.db2.gz DIBIYINWHJJGDI-CZUORRHYSA-N 1 2 345.443 3.762 20 0 EHADLO O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001195833619 1135478914 /nfs/dbraw/zinc/47/89/14/1135478914.db2.gz DIBIYINWHJJGDI-CZUORRHYSA-N 1 2 345.443 3.762 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679980 1135504586 /nfs/dbraw/zinc/50/45/86/1135504586.db2.gz YBGXJMDLXVVBFS-MCIONIFRSA-N 1 2 336.863 3.523 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCc4cc(C)c(C)cc43)[nH+]c12 ZINC000806899223 1135504709 /nfs/dbraw/zinc/50/47/09/1135504709.db2.gz YENXKBDHMJNEQD-UHFFFAOYSA-N 1 2 348.450 3.574 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001137939333 1135508574 /nfs/dbraw/zinc/50/85/74/1135508574.db2.gz QSHRTWHHSVVMGB-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001137939333 1135508576 /nfs/dbraw/zinc/50/85/76/1135508576.db2.gz QSHRTWHHSVVMGB-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO COc1cccc(NC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001196049038 1135512155 /nfs/dbraw/zinc/51/21/55/1135512155.db2.gz DPLXIDMFBRBSCF-UHFFFAOYSA-N 1 2 338.436 3.749 20 0 EHADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC001196092283 1135516115 /nfs/dbraw/zinc/51/61/15/1135516115.db2.gz HFPBBYKVGXEOMN-IBGZPJMESA-N 1 2 347.842 3.647 20 0 EHADLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC001196092283 1135516117 /nfs/dbraw/zinc/51/61/17/1135516117.db2.gz HFPBBYKVGXEOMN-IBGZPJMESA-N 1 2 347.842 3.647 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000807079475 1135518059 /nfs/dbraw/zinc/51/80/59/1135518059.db2.gz GGWVLTSBDVXITL-UHFFFAOYSA-N 1 2 344.212 3.517 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C(C)(C)C3CC3)n2)C1 ZINC000867182847 1135579552 /nfs/dbraw/zinc/57/95/52/1135579552.db2.gz WEQGARKHTOAMTB-KRWDZBQOSA-N 1 2 341.455 3.639 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C(C)(C)C3CC3)n2)C1 ZINC000867182847 1135579558 /nfs/dbraw/zinc/57/95/58/1135579558.db2.gz WEQGARKHTOAMTB-KRWDZBQOSA-N 1 2 341.455 3.639 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867183320 1135582863 /nfs/dbraw/zinc/58/28/63/1135582863.db2.gz DOUGCWYWGHLTIC-INIZCTEOSA-N 1 2 347.484 3.595 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867183320 1135582868 /nfs/dbraw/zinc/58/28/68/1135582868.db2.gz DOUGCWYWGHLTIC-INIZCTEOSA-N 1 2 347.484 3.595 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C3CCCC3)n2)C1 ZINC000867186037 1135587332 /nfs/dbraw/zinc/58/73/32/1135587332.db2.gz FWIZNEYMRVJTFK-KRWDZBQOSA-N 1 2 327.428 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C3CCCC3)n2)C1 ZINC000867186037 1135587339 /nfs/dbraw/zinc/58/73/39/1135587339.db2.gz FWIZNEYMRVJTFK-KRWDZBQOSA-N 1 2 327.428 3.609 20 0 EHADLO Cc1c(F)ccc(F)c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001196737626 1135605926 /nfs/dbraw/zinc/60/59/26/1135605926.db2.gz YOJXQMLEOUEEGY-UHFFFAOYSA-N 1 2 327.334 3.770 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000747451505 1135609286 /nfs/dbraw/zinc/60/92/86/1135609286.db2.gz UFQOLYRXEQDXQO-UHFFFAOYSA-N 1 2 328.431 3.665 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000747451505 1135609288 /nfs/dbraw/zinc/60/92/88/1135609288.db2.gz UFQOLYRXEQDXQO-UHFFFAOYSA-N 1 2 328.431 3.665 20 0 EHADLO CC(C)COC1CC[NH+](Cn2cc(C(C)C)n(C)c2=S)CC1 ZINC000747452599 1135610489 /nfs/dbraw/zinc/61/04/89/1135610489.db2.gz SQTUNKZBBIUIAA-UHFFFAOYSA-N 1 2 325.522 3.774 20 0 EHADLO CSc1ccccc1C[N@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000808181613 1135627255 /nfs/dbraw/zinc/62/72/55/1135627255.db2.gz KCRIYYARXXDDLO-UHFFFAOYSA-N 1 2 341.480 3.740 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000808181613 1135627256 /nfs/dbraw/zinc/62/72/56/1135627256.db2.gz KCRIYYARXXDDLO-UHFFFAOYSA-N 1 2 341.480 3.740 20 0 EHADLO C[N@H+](Cn1cccnc1=S)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197507 1135628998 /nfs/dbraw/zinc/62/89/98/1135628998.db2.gz ICOJRKNOKYZKBV-HOTGVXAUSA-N 1 2 329.469 3.748 20 0 EHADLO C[N@@H+](Cn1cccnc1=S)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197507 1135629000 /nfs/dbraw/zinc/62/90/00/1135629000.db2.gz ICOJRKNOKYZKBV-HOTGVXAUSA-N 1 2 329.469 3.748 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196976668 1135630635 /nfs/dbraw/zinc/63/06/35/1135630635.db2.gz RXRSTTCJUZFIBP-UHFFFAOYSA-N 1 2 338.386 3.672 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(=S)n1C ZINC000808228312 1135633159 /nfs/dbraw/zinc/63/31/59/1135633159.db2.gz SZJYOPXXBVOJIR-AWEZNQCLSA-N 1 2 332.473 3.599 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c(=S)n1C ZINC000808228312 1135633163 /nfs/dbraw/zinc/63/31/63/1135633163.db2.gz SZJYOPXXBVOJIR-AWEZNQCLSA-N 1 2 332.473 3.599 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC001197013134 1135640375 /nfs/dbraw/zinc/64/03/75/1135640375.db2.gz MKGUDOHVFDPQJH-POAQFYNOSA-N 1 2 333.472 3.664 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC001197013134 1135640376 /nfs/dbraw/zinc/64/03/76/1135640376.db2.gz MKGUDOHVFDPQJH-POAQFYNOSA-N 1 2 333.472 3.664 20 0 EHADLO COc1ccc(C[N@H+](CCO)Cc2nc(C)c(C(C)(C)C)s2)cc1 ZINC001197274796 1135668582 /nfs/dbraw/zinc/66/85/82/1135668582.db2.gz PHCJTABFTPNBKJ-UHFFFAOYSA-N 1 2 348.512 3.752 20 0 EHADLO COc1ccc(C[N@@H+](CCO)Cc2nc(C)c(C(C)(C)C)s2)cc1 ZINC001197274796 1135668583 /nfs/dbraw/zinc/66/85/83/1135668583.db2.gz PHCJTABFTPNBKJ-UHFFFAOYSA-N 1 2 348.512 3.752 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001197309681 1135671574 /nfs/dbraw/zinc/67/15/74/1135671574.db2.gz WXQDXGHSSMIBMW-UHFFFAOYSA-N 1 2 347.871 3.975 20 0 EHADLO Cc1ccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001197924620 1135750827 /nfs/dbraw/zinc/75/08/27/1135750827.db2.gz CACAUHFYNLMVAR-KRWDZBQOSA-N 1 2 327.453 3.630 20 0 EHADLO C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081392196 1135750880 /nfs/dbraw/zinc/75/08/80/1135750880.db2.gz IKMZFFGMRBCORR-AWEZNQCLSA-N 1 2 325.437 3.637 20 0 EHADLO Cc1ccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC001197986856 1135763962 /nfs/dbraw/zinc/76/39/62/1135763962.db2.gz IIUHUDOUYMVCIY-KRWDZBQOSA-N 1 2 341.480 3.939 20 0 EHADLO CCc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC001198034945 1135768682 /nfs/dbraw/zinc/76/86/82/1135768682.db2.gz IIVZXIOWVDULOY-UHFFFAOYSA-N 1 2 325.359 3.894 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc1 ZINC001198540330 1135833229 /nfs/dbraw/zinc/83/32/29/1135833229.db2.gz HVGQGMBIGDPRMF-UHFFFAOYSA-N 1 2 345.874 3.764 20 0 EHADLO O=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1cccc2[nH+]ccn21 ZINC001131720990 1135839047 /nfs/dbraw/zinc/83/90/47/1135839047.db2.gz PMPSNSFGLLXKCL-OAHLLOKOSA-N 1 2 325.799 3.795 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2ccc3c[nH]nc3c2)no1)c1ccccc1 ZINC000809479594 1135843230 /nfs/dbraw/zinc/84/32/30/1135843230.db2.gz ILGNNJSURNKQMI-IBGZPJMESA-N 1 2 347.422 3.578 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc3c[nH]nc3c2)no1)c1ccccc1 ZINC000809479594 1135843235 /nfs/dbraw/zinc/84/32/35/1135843235.db2.gz ILGNNJSURNKQMI-IBGZPJMESA-N 1 2 347.422 3.578 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131732698 1135845463 /nfs/dbraw/zinc/84/54/63/1135845463.db2.gz JBFNZEROUGWABL-GOSISDBHSA-N 1 2 332.488 3.556 20 0 EHADLO Clc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1 ZINC001203923054 1135869995 /nfs/dbraw/zinc/86/99/95/1135869995.db2.gz LFEMKERQDGYFOH-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1 ZINC001203923054 1135869999 /nfs/dbraw/zinc/86/99/99/1135869999.db2.gz LFEMKERQDGYFOH-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1 ZINC001203922524 1135872192 /nfs/dbraw/zinc/87/21/92/1135872192.db2.gz VVPBLJORYYKSNK-HOTGVXAUSA-N 1 2 336.863 3.924 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001203922524 1135872194 /nfs/dbraw/zinc/87/21/94/1135872194.db2.gz VVPBLJORYYKSNK-HOTGVXAUSA-N 1 2 336.863 3.924 20 0 EHADLO Cc1ccc2[nH+]cc(CN(C)c3ccc4c(C)cc(=O)oc4c3)n2c1 ZINC000809724458 1135878734 /nfs/dbraw/zinc/87/87/34/1135878734.db2.gz KUZBOLMZXXKRMW-UHFFFAOYSA-N 1 2 333.391 3.694 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cs1 ZINC001199109058 1135882688 /nfs/dbraw/zinc/88/26/88/1135882688.db2.gz DCSFEKPGGSOEIZ-UHFFFAOYSA-N 1 2 334.338 3.822 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131967119 1135906347 /nfs/dbraw/zinc/90/63/47/1135906347.db2.gz ZTJYNDXLEHKXLK-AZUAARDMSA-N 1 2 344.499 3.556 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131967122 1135906459 /nfs/dbraw/zinc/90/64/59/1135906459.db2.gz ZTJYNDXLEHKXLK-UYAOXDASSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810027328 1135911621 /nfs/dbraw/zinc/91/16/21/1135911621.db2.gz XAJWHVBJKMHNMS-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810027328 1135911624 /nfs/dbraw/zinc/91/16/24/1135911624.db2.gz XAJWHVBJKMHNMS-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)NC3CCCCCC3)c[nH+]c12 ZINC001199978721 1135943046 /nfs/dbraw/zinc/94/30/46/1135943046.db2.gz GWVGBNAYPODWSF-AWEZNQCLSA-N 1 2 330.501 3.891 20 0 EHADLO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000810496512 1135966628 /nfs/dbraw/zinc/96/66/28/1135966628.db2.gz BBBWQKCVNVGULK-OAHLLOKOSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000810496512 1135966629 /nfs/dbraw/zinc/96/66/29/1135966629.db2.gz BBBWQKCVNVGULK-OAHLLOKOSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000810496512 1135966630 /nfs/dbraw/zinc/96/66/30/1135966630.db2.gz BBBWQKCVNVGULK-OAHLLOKOSA-N 1 2 348.384 3.825 20 0 EHADLO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000810496512 1135966632 /nfs/dbraw/zinc/96/66/32/1135966632.db2.gz BBBWQKCVNVGULK-OAHLLOKOSA-N 1 2 348.384 3.825 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1C ZINC001200931881 1135966786 /nfs/dbraw/zinc/96/67/86/1135966786.db2.gz JICILWZWXDWYKJ-UHFFFAOYSA-N 1 2 341.304 3.628 20 0 EHADLO Cc1ccc[nH+]c1N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC001170609841 1135974097 /nfs/dbraw/zinc/97/40/97/1135974097.db2.gz LSNUICIPZWNWOV-HXUWFJFHSA-N 1 2 342.402 3.618 20 0 EHADLO CCc1ccccc1NC(=S)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001201156739 1135989979 /nfs/dbraw/zinc/98/99/79/1135989979.db2.gz XRFDSVUFHMKXGQ-INIZCTEOSA-N 1 2 340.496 3.599 20 0 EHADLO C[C@@H]1CCC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C ZINC000810659950 1135994921 /nfs/dbraw/zinc/99/49/21/1135994921.db2.gz BKXQPMWACXOPQO-GPMSIDNRSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1Nc1ccc(N)[nH+]c1 ZINC001201280041 1136000265 /nfs/dbraw/zinc/00/02/65/1136000265.db2.gz YCXJAWIOOYDBHR-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Cn1ncc(-c2ccc(Br)cc2)c1Nc1ccc(N)[nH+]c1 ZINC001201278862 1136003616 /nfs/dbraw/zinc/00/36/16/1136003616.db2.gz IFLQXZMOFOZUPE-UHFFFAOYSA-N 1 2 344.216 3.570 20 0 EHADLO Cc1cc(F)c(F)cc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810871858 1136020299 /nfs/dbraw/zinc/02/02/99/1136020299.db2.gz FQGHSFBUILEUPT-UHFFFAOYSA-N 1 2 342.345 3.666 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1OC(F)F ZINC000776174311 1136021549 /nfs/dbraw/zinc/02/15/49/1136021549.db2.gz MBBIZHNZYAWDCR-UHFFFAOYSA-N 1 2 340.395 3.532 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CCC2 ZINC001201618026 1136047612 /nfs/dbraw/zinc/04/76/12/1136047612.db2.gz LYGLMPVTTCWFEM-HOTGVXAUSA-N 1 2 346.500 3.939 20 0 EHADLO C[C@@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000811328438 1136074722 /nfs/dbraw/zinc/07/47/22/1136074722.db2.gz QGOWTGRHZPITGM-KRWDZBQOSA-N 1 2 334.419 3.821 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(Cl)cc1)Nc1ccccc1 ZINC001201961439 1136078685 /nfs/dbraw/zinc/07/86/85/1136078685.db2.gz IXXVFRYXZAATHH-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO C/C(=C/C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(F)cc1 ZINC001132815757 1136087897 /nfs/dbraw/zinc/08/78/97/1136087897.db2.gz SOPIKJBUPXXYTL-QTXHJTIISA-N 1 2 349.409 3.983 20 0 EHADLO CSc1cc(C)c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC001132815915 1136088516 /nfs/dbraw/zinc/08/85/16/1136088516.db2.gz WZUQPZSNYNLIPC-HNNXBMFYSA-N 1 2 341.436 3.678 20 0 EHADLO CC(C)Cc1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528044 1136099402 /nfs/dbraw/zinc/09/94/02/1136099402.db2.gz AQFWNTPVMISMOD-CABCVRRESA-N 1 2 348.384 3.504 20 0 EHADLO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528044 1136099404 /nfs/dbraw/zinc/09/94/04/1136099404.db2.gz AQFWNTPVMISMOD-CABCVRRESA-N 1 2 348.384 3.504 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@@H]3CCC[C@H](C)C3)c(=O)cc2C)cc1 ZINC000811732352 1136132285 /nfs/dbraw/zinc/13/22/85/1136132285.db2.gz QFPQYJWNHDKASP-QFBILLFUSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@@H]3CCC[C@H](C)C3)c(=O)cc2C)cc1 ZINC000811732352 1136132288 /nfs/dbraw/zinc/13/22/88/1136132288.db2.gz QFPQYJWNHDKASP-QFBILLFUSA-N 1 2 339.483 3.995 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1nccc2ccsc21 ZINC001133033419 1136146687 /nfs/dbraw/zinc/14/66/87/1136146687.db2.gz YFSLJYJCHLWCMM-INIZCTEOSA-N 1 2 348.431 3.664 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870689 1136154451 /nfs/dbraw/zinc/15/44/51/1136154451.db2.gz VLJHSSLRIYREKS-NEPJUHHUSA-N 1 2 326.387 3.625 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870689 1136154452 /nfs/dbraw/zinc/15/44/52/1136154452.db2.gz VLJHSSLRIYREKS-NEPJUHHUSA-N 1 2 326.387 3.625 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936554 1136156352 /nfs/dbraw/zinc/15/63/52/1136156352.db2.gz BSJWNNKUINNEOA-JSGCOSHPSA-N 1 2 325.522 3.838 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936554 1136156353 /nfs/dbraw/zinc/15/63/53/1136156353.db2.gz BSJWNNKUINNEOA-JSGCOSHPSA-N 1 2 325.522 3.838 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670026 1136187011 /nfs/dbraw/zinc/18/70/11/1136187011.db2.gz PEKCKKXPMCSCIC-CRAIPNDOSA-N 1 2 337.410 3.534 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670028 1136187284 /nfs/dbraw/zinc/18/72/84/1136187284.db2.gz PEKCKKXPMCSCIC-QAPCUYQASA-N 1 2 337.410 3.534 20 0 EHADLO CC(C)[N@H+](Cn1c2cc(Cl)ccc2n(C)c1=S)[C@H]1CCOC1 ZINC000812291252 1136192449 /nfs/dbraw/zinc/19/24/49/1136192449.db2.gz LJUXYLMVNAJQFO-ZDUSSCGKSA-N 1 2 339.892 3.819 20 0 EHADLO CC(C)[N@@H+](Cn1c2cc(Cl)ccc2n(C)c1=S)[C@H]1CCOC1 ZINC000812291252 1136192450 /nfs/dbraw/zinc/19/24/50/1136192450.db2.gz LJUXYLMVNAJQFO-ZDUSSCGKSA-N 1 2 339.892 3.819 20 0 EHADLO CC[N@H+](Cn1ccn(-c2cc(C)cc(C)c2)c1=S)[C@@H]1CCOC1 ZINC000812294934 1136195893 /nfs/dbraw/zinc/19/58/93/1136195893.db2.gz ATKVVXOXOIZZSY-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2cc(C)cc(C)c2)c1=S)[C@@H]1CCOC1 ZINC000812294934 1136195894 /nfs/dbraw/zinc/19/58/94/1136195894.db2.gz ATKVVXOXOIZZSY-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO COc1cc(F)c(Br)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000850326715 1136235320 /nfs/dbraw/zinc/23/53/20/1136235320.db2.gz BZZHFCKNEPODIM-UHFFFAOYSA-N 1 2 328.185 3.549 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1OC(=O)CC ZINC000850359829 1136240486 /nfs/dbraw/zinc/24/04/86/1136240486.db2.gz SHAHVDUIFPALQC-LBPRGKRZSA-N 1 2 334.441 3.708 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC001133453431 1136252246 /nfs/dbraw/zinc/25/22/46/1136252246.db2.gz UDBMDYIKRRPFGC-HNNXBMFYSA-N 1 2 326.440 3.824 20 0 EHADLO Cc1ccc([C@H](O)c2ccccn2)cc1NCc1cccc2[nH+]ccn21 ZINC000812846582 1136259406 /nfs/dbraw/zinc/25/94/06/1136259406.db2.gz LJQFBBLEXKGXAT-NRFANRHFSA-N 1 2 344.418 3.732 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000850504011 1136273496 /nfs/dbraw/zinc/27/34/96/1136273496.db2.gz RVMMOKUYWOTFKZ-MCIONIFRSA-N 1 2 333.444 3.887 20 0 EHADLO C[C@H]([NH2+][C@@H]1CSCc2ccc(Br)cc21)c1ncc[nH]1 ZINC000850530490 1136280055 /nfs/dbraw/zinc/28/00/55/1136280055.db2.gz ZDJYRRGOXASYOI-TVQRCGJNSA-N 1 2 338.274 3.811 20 0 EHADLO CC(=O)c1ccccc1OCCO[NH+]=C(N)c1cccc2ccccc21 ZINC000747834224 1136281979 /nfs/dbraw/zinc/28/19/79/1136281979.db2.gz QIPGMENYYKPUMC-UHFFFAOYSA-N 1 2 348.402 3.968 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1nc(Br)cs1 ZINC000850542291 1136282742 /nfs/dbraw/zinc/28/27/42/1136282742.db2.gz LDOKTFSLYVWQPH-QPUJVOFHSA-N 1 2 339.258 3.949 20 0 EHADLO Cc1ccc(NC(=O)c2nc3ccccc3cc2Cl)c(N(C)C)[nH+]1 ZINC000813083205 1136290145 /nfs/dbraw/zinc/29/01/45/1136290145.db2.gz KKKLVSZUNGRKBK-UHFFFAOYSA-N 1 2 340.814 3.910 20 0 EHADLO C/C(=C/C(=O)OCCOCCCc1cccc(C)[nH+]1)c1ccco1 ZINC000850840213 1136310387 /nfs/dbraw/zinc/31/03/87/1136310387.db2.gz MHTDOGKDXKUMDT-PFONDFGASA-N 1 2 329.396 3.579 20 0 EHADLO COc1ccccc1Oc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)nc1 ZINC001133686242 1136313359 /nfs/dbraw/zinc/31/33/59/1136313359.db2.gz YURLKRWGYMZHMN-UHFFFAOYSA-N 1 2 349.390 3.569 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001170702605 1136313891 /nfs/dbraw/zinc/31/38/91/1136313891.db2.gz UHZOVTCZSQLQOQ-SAABIXHNSA-N 1 2 341.455 3.855 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)Nc2ccccc2C)n1)C1CC1 ZINC000173193008 1136349086 /nfs/dbraw/zinc/34/90/86/1136349086.db2.gz KNNIARJJUVTDJW-UHFFFAOYSA-N 1 2 329.469 3.617 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2C)n1)C1CC1 ZINC000173193008 1136349090 /nfs/dbraw/zinc/34/90/90/1136349090.db2.gz KNNIARJJUVTDJW-UHFFFAOYSA-N 1 2 329.469 3.617 20 0 EHADLO CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(C)cc1 ZINC000747861372 1136350724 /nfs/dbraw/zinc/35/07/24/1136350724.db2.gz BMARRERPWCQFCB-KRWDZBQOSA-N 1 2 341.455 3.966 20 0 EHADLO CC[C@@H](C)CONC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000813689368 1136356648 /nfs/dbraw/zinc/35/66/48/1136356648.db2.gz JVNRCFBDIATOLY-RDTXWAMCSA-N 1 2 344.459 3.518 20 0 EHADLO CCC(CC)(C(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000338935440 1136367460 /nfs/dbraw/zinc/36/74/60/1136367460.db2.gz NRPOERYHPATRIZ-UHFFFAOYSA-N 1 2 333.863 3.801 20 0 EHADLO O=C(OC[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814049633 1136393976 /nfs/dbraw/zinc/39/39/76/1136393976.db2.gz DIGNTIYYWYBOCC-VQTJNVASSA-N 1 2 348.402 3.949 20 0 EHADLO Fc1cccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000851713802 1136401263 /nfs/dbraw/zinc/40/12/63/1136401263.db2.gz ATPZHYAAZFLJGN-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Fc1cccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000851713802 1136401265 /nfs/dbraw/zinc/40/12/65/1136401265.db2.gz ATPZHYAAZFLJGN-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO CC[N@H+](CCc1ccccn1)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000851825134 1136411559 /nfs/dbraw/zinc/41/15/59/1136411559.db2.gz UUZPDKLAAVTXGU-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO CC[N@@H+](CCc1ccccn1)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000851825134 1136411561 /nfs/dbraw/zinc/41/15/61/1136411561.db2.gz UUZPDKLAAVTXGU-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO CCOc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OCC(C)C ZINC000814181325 1136418111 /nfs/dbraw/zinc/41/81/11/1136418111.db2.gz XYBFTCIIGOKGGD-MRXNPFEDSA-N 1 2 349.471 3.646 20 0 EHADLO CCOc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OCC(C)C ZINC000814181325 1136418113 /nfs/dbraw/zinc/41/81/13/1136418113.db2.gz XYBFTCIIGOKGGD-MRXNPFEDSA-N 1 2 349.471 3.646 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C)c1nnc(C)o1 ZINC001170736164 1136430691 /nfs/dbraw/zinc/43/06/91/1136430691.db2.gz HNCRVAFAMOWJFZ-DUFGSWQCSA-N 1 2 327.428 3.500 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814250377 1136430763 /nfs/dbraw/zinc/43/07/63/1136430763.db2.gz QQLARQMNTVWSAE-KBPBESRZSA-N 1 2 329.400 3.742 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852127582 1136435081 /nfs/dbraw/zinc/43/50/81/1136435081.db2.gz VBEVKAQIEKGREX-YPMHNXCESA-N 1 2 347.846 3.695 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852127582 1136435083 /nfs/dbraw/zinc/43/50/83/1136435083.db2.gz VBEVKAQIEKGREX-YPMHNXCESA-N 1 2 347.846 3.695 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]Cc3cccc(F)n3)cs2)cc1 ZINC000747935755 1136439670 /nfs/dbraw/zinc/43/96/70/1136439670.db2.gz LGWOHICWEIDHNP-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)c1 ZINC000852323400 1136448553 /nfs/dbraw/zinc/44/85/53/1136448553.db2.gz HVPCZTHFLXHUSJ-LIRRHRJNSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)c1 ZINC000852323400 1136448554 /nfs/dbraw/zinc/44/85/54/1136448554.db2.gz HVPCZTHFLXHUSJ-LIRRHRJNSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)OCc2ccccc2)CCO1 ZINC000776590103 1136453247 /nfs/dbraw/zinc/45/32/47/1136453247.db2.gz XZIKZKWCJHGDLK-HXUWFJFHSA-N 1 2 339.435 3.502 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CCO1 ZINC000776590103 1136453252 /nfs/dbraw/zinc/45/32/52/1136453252.db2.gz XZIKZKWCJHGDLK-HXUWFJFHSA-N 1 2 339.435 3.502 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000852442952 1136456643 /nfs/dbraw/zinc/45/66/43/1136456643.db2.gz ISMZPWVDQIGJCA-ABAIWWIYSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000852442952 1136456644 /nfs/dbraw/zinc/45/66/44/1136456644.db2.gz ISMZPWVDQIGJCA-ABAIWWIYSA-N 1 2 330.255 3.670 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852545833 1136465076 /nfs/dbraw/zinc/46/50/76/1136465076.db2.gz QFCCWTYIUDNGFU-JKSUJKDBSA-N 1 2 349.858 3.588 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852545833 1136465077 /nfs/dbraw/zinc/46/50/77/1136465077.db2.gz QFCCWTYIUDNGFU-JKSUJKDBSA-N 1 2 349.858 3.588 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000852545830 1136465094 /nfs/dbraw/zinc/46/50/94/1136465094.db2.gz QFCCWTYIUDNGFU-CVEARBPZSA-N 1 2 349.858 3.588 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000852545830 1136465095 /nfs/dbraw/zinc/46/50/95/1136465095.db2.gz QFCCWTYIUDNGFU-CVEARBPZSA-N 1 2 349.858 3.588 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)CC1=CCSC1 ZINC000852748236 1136482944 /nfs/dbraw/zinc/48/29/44/1136482944.db2.gz NVXUSYWREVRXST-UHFFFAOYSA-N 1 2 344.452 3.545 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)CC1=CCSC1 ZINC000852748236 1136482945 /nfs/dbraw/zinc/48/29/45/1136482945.db2.gz NVXUSYWREVRXST-UHFFFAOYSA-N 1 2 344.452 3.545 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H](c2ccccc2)C(F)F)C1 ZINC000814650415 1136485539 /nfs/dbraw/zinc/48/55/39/1136485539.db2.gz RKFHJXPMUCANFB-DZGCQCFKSA-N 1 2 340.414 3.839 20 0 EHADLO Cc1ccc(NC(=O)NC(C)(C)c2ccccc2F)c(N(C)C)[nH+]1 ZINC000814678346 1136489610 /nfs/dbraw/zinc/48/96/10/1136489610.db2.gz SWSAIARPFQBQRL-UHFFFAOYSA-N 1 2 330.407 3.652 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc(Cl)n1 ZINC000797600968 1136508273 /nfs/dbraw/zinc/50/82/73/1136508273.db2.gz IJYUBWBGIZNXDF-UHFFFAOYSA-N 1 2 330.844 3.852 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000853491531 1136537686 /nfs/dbraw/zinc/53/76/86/1136537686.db2.gz QNJKPGFQNVVNDT-IEBWSBKVSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000853491531 1136537689 /nfs/dbraw/zinc/53/76/89/1136537689.db2.gz QNJKPGFQNVVNDT-IEBWSBKVSA-N 1 2 327.472 3.605 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563153 1136544765 /nfs/dbraw/zinc/54/47/65/1136544765.db2.gz MFLKSNFWZQCBIW-VQIMIIECSA-N 1 2 334.435 3.577 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563153 1136544767 /nfs/dbraw/zinc/54/47/67/1136544767.db2.gz MFLKSNFWZQCBIW-VQIMIIECSA-N 1 2 334.435 3.577 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000853605478 1136548176 /nfs/dbraw/zinc/54/81/76/1136548176.db2.gz JLSMLCGWXHIOGK-SFESLNEESA-N 1 2 346.475 3.978 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000853605478 1136548178 /nfs/dbraw/zinc/54/81/78/1136548178.db2.gz JLSMLCGWXHIOGK-SFESLNEESA-N 1 2 346.475 3.978 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc(Br)cc1F ZINC000815140434 1136561268 /nfs/dbraw/zinc/56/12/68/1136561268.db2.gz WQMJKBMUMXMLEN-QMMMGPOBSA-N 1 2 346.631 3.826 20 0 EHADLO CC(=O)c1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cs1 ZINC000815284693 1136577574 /nfs/dbraw/zinc/57/75/74/1136577574.db2.gz XYEFKNXWISTYRK-UHFFFAOYSA-N 1 2 340.404 3.802 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000815567320 1136611750 /nfs/dbraw/zinc/61/17/50/1136611750.db2.gz ULMVAKOJZDWJTL-SJCJKPOMSA-N 1 2 328.366 3.566 20 0 EHADLO CC(Cl)(Cl)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000776747376 1136624479 /nfs/dbraw/zinc/62/44/79/1136624479.db2.gz CNLXPJJHAFVFHM-ZDUSSCGKSA-N 1 2 349.689 3.787 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@]3(C)C[C@H]4C[C@H]4C3)CC2)cs1 ZINC000816134672 1136676853 /nfs/dbraw/zinc/67/68/53/1136676853.db2.gz IRPMWOJXGAOYOR-HGKCTWBKSA-N 1 2 348.512 3.643 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1Cl ZINC001138022742 1136711540 /nfs/dbraw/zinc/71/15/40/1136711540.db2.gz KWKPLBYKNIOHBW-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1Cl ZINC001138022742 1136711544 /nfs/dbraw/zinc/71/15/44/1136711544.db2.gz KWKPLBYKNIOHBW-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824321 1136714042 /nfs/dbraw/zinc/71/40/42/1136714042.db2.gz NHRKSDHOVHIFNF-VQTJNVASSA-N 1 2 344.499 3.797 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824321 1136714045 /nfs/dbraw/zinc/71/40/45/1136714045.db2.gz NHRKSDHOVHIFNF-VQTJNVASSA-N 1 2 344.499 3.797 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)c1cccc2[nH+]ccn21)c1nc2ccccc2[nH]1 ZINC000776826352 1136718480 /nfs/dbraw/zinc/71/84/80/1136718480.db2.gz DNUKFRGENAGLEM-ACJLOTCBSA-N 1 2 347.422 3.728 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cnn(C)c3Cl)CC2)c(C)c1 ZINC000816491320 1136724298 /nfs/dbraw/zinc/72/42/98/1136724298.db2.gz IHBPRADFYJZLIQ-UHFFFAOYSA-N 1 2 345.874 3.785 20 0 EHADLO Clc1nccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1Cl ZINC000816657459 1136745330 /nfs/dbraw/zinc/74/53/30/1136745330.db2.gz SEUDKXKIIGLNFZ-CQSZACIVSA-N 1 2 327.255 3.779 20 0 EHADLO Clc1nccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1Cl ZINC000816657459 1136745334 /nfs/dbraw/zinc/74/53/34/1136745334.db2.gz SEUDKXKIIGLNFZ-CQSZACIVSA-N 1 2 327.255 3.779 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1sccc1Br ZINC000429527728 1136751505 /nfs/dbraw/zinc/75/15/05/1136751505.db2.gz KTRYTEPVBRZDHT-UHFFFAOYSA-N 1 2 340.290 3.675 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000856719381 1136802764 /nfs/dbraw/zinc/80/27/64/1136802764.db2.gz XOIDDQKNKFXTPY-GOSISDBHSA-N 1 2 339.476 3.710 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000856719381 1136802769 /nfs/dbraw/zinc/80/27/69/1136802769.db2.gz XOIDDQKNKFXTPY-GOSISDBHSA-N 1 2 339.476 3.710 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)[C@@H](c2ccco2)C1 ZINC000856727453 1136803983 /nfs/dbraw/zinc/80/39/83/1136803983.db2.gz NJURBFDNOFEDHB-NVXWUHKLSA-N 1 2 339.501 3.800 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)[C@@H](c2ccco2)C1 ZINC000856727453 1136803986 /nfs/dbraw/zinc/80/39/86/1136803986.db2.gz NJURBFDNOFEDHB-NVXWUHKLSA-N 1 2 339.501 3.800 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000817405818 1136804935 /nfs/dbraw/zinc/80/49/35/1136804935.db2.gz JEQVFEJWAPVEHD-DLBZAZTESA-N 1 2 338.451 3.890 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)c1cnccn1 ZINC000856779390 1136810819 /nfs/dbraw/zinc/81/08/19/1136810819.db2.gz XGFRUUWUIUNJIG-IUCAKERBSA-N 1 2 330.741 3.956 20 0 EHADLO Cn1cc(C[NH2+]Cc2cccc(Br)c2Cl)c(Cl)n1 ZINC000856790887 1136811544 /nfs/dbraw/zinc/81/15/44/1136811544.db2.gz MTXJGUJPIUDCJW-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cccc2[nH+]ccn21 ZINC000817497736 1136817149 /nfs/dbraw/zinc/81/71/49/1136817149.db2.gz YWKRMZRJCDPVHN-INIZCTEOSA-N 1 2 349.434 3.818 20 0 EHADLO Cc1cc([NH2+][C@H]2CCc3cccnc3CC2)ccc1N1CCOCC1 ZINC000817585807 1136825975 /nfs/dbraw/zinc/82/59/75/1136825975.db2.gz MYJOAWOPSLUSLB-SFHVURJKSA-N 1 2 337.467 3.586 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)NCCc1[nH+]ccn1C ZINC000063529523 1136829588 /nfs/dbraw/zinc/82/95/88/1136829588.db2.gz BQWRKLFAKVDRRJ-UHFFFAOYSA-N 1 2 333.391 3.600 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C(F)F)ccc2F)c1C ZINC000857093580 1136844124 /nfs/dbraw/zinc/84/41/24/1136844124.db2.gz QKVCSIHOQDEYLP-UHFFFAOYSA-N 1 2 338.329 3.714 20 0 EHADLO CO[C@H]1C[C@H]2C[C@H]([NH2+]c3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000818337649 1136872009 /nfs/dbraw/zinc/87/20/09/1136872009.db2.gz NFWDJHJIWXKFGH-HQMXDTMQSA-N 1 2 344.499 3.916 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)n1 ZINC000818343516 1136873238 /nfs/dbraw/zinc/87/32/38/1136873238.db2.gz CBWJZKMEFZFPSX-OAHLLOKOSA-N 1 2 334.851 3.572 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CCC2 ZINC001136185972 1136911285 /nfs/dbraw/zinc/91/12/85/1136911285.db2.gz XBBFLLMNXUVODA-QGZVFWFLSA-N 1 2 347.418 3.940 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn4c(n3)CC[C@@H](C)C4)c2)[nH+]c1C ZINC000857919070 1136922689 /nfs/dbraw/zinc/92/26/89/1136922689.db2.gz HWMXKGLOYAWHCD-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985088 1136927587 /nfs/dbraw/zinc/92/75/87/1136927587.db2.gz GOHITSYDQPYAJV-HZMBPMFUSA-N 1 2 338.238 3.630 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858016956 1136932491 /nfs/dbraw/zinc/93/24/91/1136932491.db2.gz JLDMKUJULBKFMB-IBGZPJMESA-N 1 2 340.471 3.780 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858016956 1136932494 /nfs/dbraw/zinc/93/24/94/1136932494.db2.gz JLDMKUJULBKFMB-IBGZPJMESA-N 1 2 340.471 3.780 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)oc1C1CC1 ZINC000858029451 1136933684 /nfs/dbraw/zinc/93/36/84/1136933684.db2.gz XNSRJTOMKCAUOR-QGZVFWFLSA-N 1 2 339.439 3.868 20 0 EHADLO c1nc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)oc1C1CC1 ZINC000858029451 1136933685 /nfs/dbraw/zinc/93/36/85/1136933685.db2.gz XNSRJTOMKCAUOR-QGZVFWFLSA-N 1 2 339.439 3.868 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)c1cccc(Br)c1 ZINC000819408939 1136937017 /nfs/dbraw/zinc/93/70/17/1136937017.db2.gz NDGNUNPTJZRRDN-QGZVFWFLSA-N 1 2 349.272 3.969 20 0 EHADLO CSc1ccc(OC[C@H](O)CNc2ccc([NH+](C)C)cc2C)cc1 ZINC000819410110 1136937117 /nfs/dbraw/zinc/93/71/17/1136937117.db2.gz WYGAIYGELGVCPY-MRXNPFEDSA-N 1 2 346.496 3.635 20 0 EHADLO COCc1ccccc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136265694 1136959464 /nfs/dbraw/zinc/95/94/64/1136959464.db2.gz FLLOCCOTEOLGJD-WOVMCDHWSA-N 1 2 339.439 3.837 20 0 EHADLO CC(C)[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000819883434 1136964819 /nfs/dbraw/zinc/96/48/19/1136964819.db2.gz XBZQUUFNPWGDQG-FXAWDEMLSA-N 1 2 348.450 3.840 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)[N@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000819901138 1136965550 /nfs/dbraw/zinc/96/55/50/1136965550.db2.gz SRMRCYSNAGOJIU-LJQANCHMSA-N 1 2 337.467 3.553 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)[N@@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000819901138 1136965553 /nfs/dbraw/zinc/96/55/53/1136965553.db2.gz SRMRCYSNAGOJIU-LJQANCHMSA-N 1 2 337.467 3.553 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc(Cl)cs1 ZINC000858430408 1136966770 /nfs/dbraw/zinc/96/67/70/1136966770.db2.gz VQSDAVXBYYOFFM-UHFFFAOYSA-N 1 2 336.892 3.934 20 0 EHADLO CCn1nc(C)c(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)n1 ZINC000819936543 1136968128 /nfs/dbraw/zinc/96/81/28/1136968128.db2.gz QIYPVCNPWQHLEI-UHFFFAOYSA-N 1 2 335.333 3.786 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001136291970 1136969794 /nfs/dbraw/zinc/96/97/94/1136969794.db2.gz SUZIWQGFSVNEHZ-GOSISDBHSA-N 1 2 325.456 3.922 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858472032 1136970884 /nfs/dbraw/zinc/97/08/84/1136970884.db2.gz WDWXMJZKUMFAQH-GDBMZVCRSA-N 1 2 341.455 3.974 20 0 EHADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001136303173 1136976840 /nfs/dbraw/zinc/97/68/40/1136976840.db2.gz LYWCXYHHBUBCFA-UHFFFAOYSA-N 1 2 346.843 3.600 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CCCC2)CC1 ZINC000820172192 1136981389 /nfs/dbraw/zinc/98/13/89/1136981389.db2.gz PJCPPCNTTWILSC-CYBMUJFWSA-N 1 2 329.366 3.559 20 0 EHADLO CCCCCCNC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000116260449 1136986381 /nfs/dbraw/zinc/98/63/81/1136986381.db2.gz ARJHOXRGPUZEDE-KRWDZBQOSA-N 1 2 344.503 3.575 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2ccncc2)n(C)c1=S)C(C)C ZINC000116256617 1136986585 /nfs/dbraw/zinc/98/65/85/1136986585.db2.gz YNLOGFSQWXAKTJ-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2ccncc2)n(C)c1=S)C(C)C ZINC000116256617 1136986587 /nfs/dbraw/zinc/98/65/87/1136986587.db2.gz YNLOGFSQWXAKTJ-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCCCCSC)c1C ZINC000858916989 1136996957 /nfs/dbraw/zinc/99/69/57/1136996957.db2.gz UGKNNJAPRQIUJG-UHFFFAOYSA-N 1 2 338.517 3.979 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859114524 1137003890 /nfs/dbraw/zinc/00/38/90/1137003890.db2.gz HTEKOZJRESOHCF-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)cc2[nH]1 ZINC001136484290 1137035549 /nfs/dbraw/zinc/03/55/49/1137035549.db2.gz TVNVOFFJHBYTOZ-HNNXBMFYSA-N 1 2 328.460 3.672 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)cc2[nH]1 ZINC001136484290 1137035551 /nfs/dbraw/zinc/03/55/51/1137035551.db2.gz TVNVOFFJHBYTOZ-HNNXBMFYSA-N 1 2 328.460 3.672 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](CCF)C3)c2cc1C(C)C ZINC000859904466 1137036541 /nfs/dbraw/zinc/03/65/41/1137036541.db2.gz DRVIOSKUZZGFKY-MRXNPFEDSA-N 1 2 347.430 3.785 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](CCF)C3)c2cc1C(C)C ZINC000859904466 1137036542 /nfs/dbraw/zinc/03/65/42/1137036542.db2.gz DRVIOSKUZZGFKY-MRXNPFEDSA-N 1 2 347.430 3.785 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@@H](c2c(F)cccc2F)C1)n1cc[nH+]c1 ZINC000822012524 1137047090 /nfs/dbraw/zinc/04/70/90/1137047090.db2.gz SVDFOYDGOAKVNW-PBHICJAKSA-N 1 2 347.409 3.765 20 0 EHADLO O=C(Nc1cccc2ocnc21)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001170986036 1137056711 /nfs/dbraw/zinc/05/67/11/1137056711.db2.gz XRANJJLANJYRHP-OKILXGFUSA-N 1 2 336.395 3.832 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c(F)c1 ZINC000822476044 1137061572 /nfs/dbraw/zinc/06/15/72/1137061572.db2.gz GVIVBSNAHZMPPY-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CCCN(c3ncccc3F)CC2)c(F)c1 ZINC000822476044 1137061573 /nfs/dbraw/zinc/06/15/73/1137061573.db2.gz GVIVBSNAHZMPPY-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO Cc1csc([C@H](C)NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)n1 ZINC001136589120 1137063351 /nfs/dbraw/zinc/06/33/51/1137063351.db2.gz ZSKDTGWQWWAXPT-SOUVJXGZSA-N 1 2 344.484 3.695 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1C ZINC001136624205 1137072523 /nfs/dbraw/zinc/07/25/23/1137072523.db2.gz MQUQTMFATFSZTE-UHFFFAOYSA-N 1 2 336.395 3.581 20 0 EHADLO CCCOc1cccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822766517 1137074617 /nfs/dbraw/zinc/07/46/17/1137074617.db2.gz RXJJPCKAOOKOKA-GOSISDBHSA-N 1 2 335.407 3.761 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@]2(C)CC2(Cl)Cl)c1C ZINC000822863531 1137077894 /nfs/dbraw/zinc/07/78/94/1137077894.db2.gz QFPQBQJUBQEVPS-HNNXBMFYSA-N 1 2 345.270 3.639 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2ccccc2)CC2(CCC2)C1 ZINC001136651346 1137081603 /nfs/dbraw/zinc/08/16/03/1137081603.db2.gz DXGMSGLAHSAOJF-UHFFFAOYSA-N 1 2 337.467 3.682 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000822985715 1137082153 /nfs/dbraw/zinc/08/21/53/1137082153.db2.gz PKRAXVXRQLPEBC-JQAFLVLXSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000822985715 1137082155 /nfs/dbraw/zinc/08/21/55/1137082155.db2.gz PKRAXVXRQLPEBC-JQAFLVLXSA-N 1 2 330.255 3.526 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005370 1137086588 /nfs/dbraw/zinc/08/65/88/1137086588.db2.gz ORAWXNNIALYCKC-YOEHRIQHSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005370 1137086589 /nfs/dbraw/zinc/08/65/89/1137086589.db2.gz ORAWXNNIALYCKC-YOEHRIQHSA-N 1 2 334.435 3.582 20 0 EHADLO COC[C@H]([NH3+])c1nc(C2(c3cccc(Cl)c3)CCCCC2)no1 ZINC000823264512 1137092332 /nfs/dbraw/zinc/09/23/32/1137092332.db2.gz ULKNUONBPBTQHK-AWEZNQCLSA-N 1 2 335.835 3.619 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000823240141 1137092975 /nfs/dbraw/zinc/09/29/75/1137092975.db2.gz TUELPQPWNQUKSW-CQSZACIVSA-N 1 2 339.867 3.606 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000823240141 1137092976 /nfs/dbraw/zinc/09/29/76/1137092976.db2.gz TUELPQPWNQUKSW-CQSZACIVSA-N 1 2 339.867 3.606 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC001136705679 1137093988 /nfs/dbraw/zinc/09/39/88/1137093988.db2.gz XAKFKMMUKJLOQY-UHFFFAOYSA-N 1 2 335.407 3.678 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2ccnc(Cl)c2F)cc1OC ZINC000823386693 1137097588 /nfs/dbraw/zinc/09/75/88/1137097588.db2.gz JZQLRXLYVABOCM-UHFFFAOYSA-N 1 2 338.810 3.832 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2ccnc(Cl)c2F)cc1OC ZINC000823386693 1137097590 /nfs/dbraw/zinc/09/75/90/1137097590.db2.gz JZQLRXLYVABOCM-UHFFFAOYSA-N 1 2 338.810 3.832 20 0 EHADLO CCc1ccc([C@H](C)c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823392544 1137097802 /nfs/dbraw/zinc/09/78/02/1137097802.db2.gz AJWRZZWSLINKAU-WFASDCNBSA-N 1 2 345.443 3.515 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2OC2CCC2)c1C ZINC000118218163 1137102828 /nfs/dbraw/zinc/10/28/28/1137102828.db2.gz GNBVGVFBXKOLPY-UHFFFAOYSA-N 1 2 340.423 3.568 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000861626468 1137115316 /nfs/dbraw/zinc/11/53/16/1137115316.db2.gz QBGYDDFKJHZFOK-OAHLLOKOSA-N 1 2 342.443 3.539 20 0 EHADLO OCC1(Cc2ccccc2)CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000824296406 1137131118 /nfs/dbraw/zinc/13/11/18/1137131118.db2.gz DJBVBANVYCJISP-UHFFFAOYSA-N 1 2 348.849 3.691 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC1CC1 ZINC000862224871 1137133389 /nfs/dbraw/zinc/13/33/89/1137133389.db2.gz MPAFZFJLONUKFL-QGZVFWFLSA-N 1 2 328.412 3.870 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC1CC1 ZINC000862224871 1137133390 /nfs/dbraw/zinc/13/33/90/1137133390.db2.gz MPAFZFJLONUKFL-QGZVFWFLSA-N 1 2 328.412 3.870 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000824370497 1137135901 /nfs/dbraw/zinc/13/59/01/1137135901.db2.gz JUOUTBJKLHCJLH-KDOFPFPSSA-N 1 2 328.460 3.588 20 0 EHADLO CCn1nc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000824370497 1137135902 /nfs/dbraw/zinc/13/59/02/1137135902.db2.gz JUOUTBJKLHCJLH-KDOFPFPSSA-N 1 2 328.460 3.588 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CC[N@@H+](Cc1cn3ccccc3n1)C2 ZINC001136881852 1137138797 /nfs/dbraw/zinc/13/87/97/1137138797.db2.gz KUZLFYZQRCEFLB-UHFFFAOYSA-N 1 2 331.341 3.911 20 0 EHADLO FC(F)(F)c1ccc2c(c1)CC[N@H+](Cc1cn3ccccc3n1)C2 ZINC001136881852 1137138798 /nfs/dbraw/zinc/13/87/98/1137138798.db2.gz KUZLFYZQRCEFLB-UHFFFAOYSA-N 1 2 331.341 3.911 20 0 EHADLO Cc1[nH]c(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)[nH+]c1C ZINC000862339662 1137139041 /nfs/dbraw/zinc/13/90/41/1137139041.db2.gz BQFXNKRGIKGGOU-LLVKDONJSA-N 1 2 331.807 3.581 20 0 EHADLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cnn1C ZINC001136908601 1137146957 /nfs/dbraw/zinc/14/69/57/1137146957.db2.gz KDJGVFPBVKKQBS-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1c(C[N@H+]2CCC[C@H]2c2ccccc2Cl)cnn1C ZINC001136908601 1137146958 /nfs/dbraw/zinc/14/69/58/1137146958.db2.gz KDJGVFPBVKKQBS-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO FC(F)(F)c1nc(C2CC[NH+](Cc3ccc(Cl)cn3)CC2)no1 ZINC001136930296 1137150245 /nfs/dbraw/zinc/15/02/45/1137150245.db2.gz IPIBBXGCQQPPQW-UHFFFAOYSA-N 1 2 346.740 3.516 20 0 EHADLO CCCOc1c(Cl)cc(C[NH2+]Cc2coc(CC)n2)cc1OC ZINC000825049710 1137163299 /nfs/dbraw/zinc/16/32/99/1137163299.db2.gz APMNNDWEAKUQAB-UHFFFAOYSA-N 1 2 338.835 3.978 20 0 EHADLO C[C@](CO)([NH2+]Cc1cc(F)ncc1F)c1cc(Cl)cc(Cl)c1 ZINC000825130289 1137167026 /nfs/dbraw/zinc/16/70/26/1137167026.db2.gz RTHRGTMPMMGUFO-OAHLLOKOSA-N 1 2 347.192 3.664 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000863268770 1137178907 /nfs/dbraw/zinc/17/89/07/1137178907.db2.gz JDWNCYASVVPSDT-HIFRSBDPSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000863268770 1137178909 /nfs/dbraw/zinc/17/89/09/1137178909.db2.gz JDWNCYASVVPSDT-HIFRSBDPSA-N 1 2 342.361 3.802 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339464 1137181591 /nfs/dbraw/zinc/18/15/91/1137181591.db2.gz FLLUYSPOTHEGKH-RGDDUWESSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339464 1137181593 /nfs/dbraw/zinc/18/15/93/1137181593.db2.gz FLLUYSPOTHEGKH-RGDDUWESSA-N 1 2 331.489 3.513 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)nc1 ZINC001143628331 1137184283 /nfs/dbraw/zinc/18/42/83/1137184283.db2.gz GREBSRAFMWICET-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)nc1 ZINC001143628331 1137184284 /nfs/dbraw/zinc/18/42/84/1137184284.db2.gz GREBSRAFMWICET-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)cc1C(F)(F)F ZINC001143636801 1137185243 /nfs/dbraw/zinc/18/52/43/1137185243.db2.gz OLHGHVISXXNVDD-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1C(F)(F)F ZINC001143636801 1137185244 /nfs/dbraw/zinc/18/52/44/1137185244.db2.gz OLHGHVISXXNVDD-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO CC(C)O[C@H](C[N@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000794533407 1137191302 /nfs/dbraw/zinc/19/13/02/1137191302.db2.gz UDOALKWVJRTJDJ-GOSISDBHSA-N 1 2 348.874 3.696 20 0 EHADLO CC(C)O[C@H](C[N@@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000794533407 1137191304 /nfs/dbraw/zinc/19/13/04/1137191304.db2.gz UDOALKWVJRTJDJ-GOSISDBHSA-N 1 2 348.874 3.696 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615848 1137194921 /nfs/dbraw/zinc/19/49/21/1137194921.db2.gz FBLILGCQULLTLO-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615848 1137194922 /nfs/dbraw/zinc/19/49/22/1137194922.db2.gz FBLILGCQULLTLO-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2cnn(CC)c21 ZINC001143761070 1137196176 /nfs/dbraw/zinc/19/61/76/1137196176.db2.gz FUMNAGKNMIVTPO-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2cnn(CC)c21 ZINC001143761070 1137196177 /nfs/dbraw/zinc/19/61/77/1137196177.db2.gz FUMNAGKNMIVTPO-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C(C)(C)c3cccc(F)c3)no2)c1 ZINC000863672282 1137198795 /nfs/dbraw/zinc/19/87/95/1137198795.db2.gz HFEJAPQUGWJBDN-INIZCTEOSA-N 1 2 341.386 3.591 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2cc(C)[nH+]c(OC(F)F)c2)c1 ZINC001171110790 1137203702 /nfs/dbraw/zinc/20/37/02/1137203702.db2.gz SRKYKOREFHWYTC-NSHDSACASA-N 1 2 336.338 3.951 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4c(Cl)n3)[C@H]2C1 ZINC000794560714 1137204206 /nfs/dbraw/zinc/20/42/06/1137204206.db2.gz NULBLMPZUAFNJZ-BPQIPLTHSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc4ccccc4c(Cl)n3)[C@H]2C1 ZINC000794560714 1137204208 /nfs/dbraw/zinc/20/42/08/1137204208.db2.gz NULBLMPZUAFNJZ-BPQIPLTHSA-N 1 2 346.858 3.657 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1=S ZINC000119832810 1137213767 /nfs/dbraw/zinc/21/37/67/1137213767.db2.gz PIMINKFTIYXGPO-SWLSCSKDSA-N 1 2 334.464 3.717 20 0 EHADLO CCn1c(C)nn(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1=S ZINC000119832810 1137213768 /nfs/dbraw/zinc/21/37/68/1137213768.db2.gz PIMINKFTIYXGPO-SWLSCSKDSA-N 1 2 334.464 3.717 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001143910078 1137214049 /nfs/dbraw/zinc/21/40/49/1137214049.db2.gz AVAWUQNUQKZVIF-ZDUSSCGKSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001143910078 1137214050 /nfs/dbraw/zinc/21/40/50/1137214050.db2.gz AVAWUQNUQKZVIF-ZDUSSCGKSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001143946909 1137217170 /nfs/dbraw/zinc/21/71/70/1137217170.db2.gz FVDYQYYQXNVFIK-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001143946909 1137217171 /nfs/dbraw/zinc/21/71/71/1137217171.db2.gz FVDYQYYQXNVFIK-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001143946908 1137217216 /nfs/dbraw/zinc/21/72/16/1137217216.db2.gz FVDYQYYQXNVFIK-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001143946908 1137217218 /nfs/dbraw/zinc/21/72/18/1137217218.db2.gz FVDYQYYQXNVFIK-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c1F ZINC001143982855 1137220676 /nfs/dbraw/zinc/22/06/76/1137220676.db2.gz BTURENPXYTYLKM-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c1F ZINC001143982855 1137220679 /nfs/dbraw/zinc/22/06/79/1137220679.db2.gz BTURENPXYTYLKM-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001143983965 1137221065 /nfs/dbraw/zinc/22/10/65/1137221065.db2.gz OESXFPADRNILPM-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001143983965 1137221067 /nfs/dbraw/zinc/22/10/67/1137221067.db2.gz OESXFPADRNILPM-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794626136 1137221661 /nfs/dbraw/zinc/22/16/61/1137221661.db2.gz GXMCCVORBUQANS-CQSZACIVSA-N 1 2 332.473 3.552 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794626136 1137221662 /nfs/dbraw/zinc/22/16/62/1137221662.db2.gz GXMCCVORBUQANS-CQSZACIVSA-N 1 2 332.473 3.552 20 0 EHADLO CCCn1c(=S)n(C[N@H+](CC)CC2CCC2)nc1-c1ccncc1 ZINC000794684803 1137226426 /nfs/dbraw/zinc/22/64/26/1137226426.db2.gz ZVUUBRGKXKZDQB-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](CC)CC2CCC2)nc1-c1ccncc1 ZINC000794684803 1137226427 /nfs/dbraw/zinc/22/64/27/1137226427.db2.gz ZVUUBRGKXKZDQB-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2c(Cl)cncc2Cl)c(C)[nH+]1 ZINC000864474189 1137228975 /nfs/dbraw/zinc/22/89/75/1137228975.db2.gz LIGFPXJPIAZWDU-FQEVSTJZSA-N 1 2 329.252 3.849 20 0 EHADLO C[C@@H](CC(=O)Oc1ccc(OCC2CC2)c(Cl)c1)n1cc[nH+]c1 ZINC000844546026 1137233667 /nfs/dbraw/zinc/23/36/67/1137233667.db2.gz FFYFHXIRDKDREV-LBPRGKRZSA-N 1 2 334.803 3.882 20 0 EHADLO CCC(=O)N1CC[NH+](Cc2cccc(Oc3ccc(C)cc3)c2)CC1 ZINC001144085754 1137235886 /nfs/dbraw/zinc/23/58/86/1137235886.db2.gz FCEMXDWTAOYKCA-UHFFFAOYSA-N 1 2 338.451 3.842 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000794708171 1137239922 /nfs/dbraw/zinc/23/99/22/1137239922.db2.gz XAISCDAQJZZOMO-ZDUSSCGKSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000794708171 1137239923 /nfs/dbraw/zinc/23/99/23/1137239923.db2.gz XAISCDAQJZZOMO-ZDUSSCGKSA-N 1 2 331.489 3.718 20 0 EHADLO CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144127084 1137243781 /nfs/dbraw/zinc/24/37/81/1137243781.db2.gz QMAXAUPWAYMURW-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO CCc1ncnc2c1CC[N@@H+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144127084 1137243783 /nfs/dbraw/zinc/24/37/83/1137243783.db2.gz QMAXAUPWAYMURW-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147148 1137245884 /nfs/dbraw/zinc/24/58/84/1137245884.db2.gz CQUSGBCWDQIPIA-WFASDCNBSA-N 1 2 330.255 3.782 20 0 EHADLO C/C(=C\C1CCC(C)CC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000864803280 1137246753 /nfs/dbraw/zinc/24/67/53/1137246753.db2.gz ZGNCLJGZKGODRI-DTQAZKPQSA-N 1 2 329.488 3.651 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146071 1137246998 /nfs/dbraw/zinc/24/69/98/1137246998.db2.gz VEXLVWREGQDIDQ-LBPRGKRZSA-N 1 2 330.255 3.782 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1(C)CC1 ZINC000844696960 1137248303 /nfs/dbraw/zinc/24/83/03/1137248303.db2.gz MJBAJDUFQQHOFF-LLVKDONJSA-N 1 2 337.876 3.703 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1(C)CC1 ZINC000844696960 1137248304 /nfs/dbraw/zinc/24/83/04/1137248304.db2.gz MJBAJDUFQQHOFF-LLVKDONJSA-N 1 2 337.876 3.703 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3cccnc3c2)n1 ZINC000864976848 1137256205 /nfs/dbraw/zinc/25/62/05/1137256205.db2.gz NYJBRBCCTWDALZ-UHFFFAOYSA-N 1 2 340.452 3.785 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(ccnc2Cl)o1 ZINC000864985677 1137256514 /nfs/dbraw/zinc/25/65/14/1137256514.db2.gz NXDSDJDBTQEEBW-AWEZNQCLSA-N 1 2 346.818 3.522 20 0 EHADLO C[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(-n2cccc2)cc1 ZINC001144250981 1137261651 /nfs/dbraw/zinc/26/16/51/1137261651.db2.gz DMXMDMAZMUSKBD-UHFFFAOYSA-N 1 2 334.419 3.653 20 0 EHADLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(-n2cccc2)cc1 ZINC001144250981 1137261652 /nfs/dbraw/zinc/26/16/52/1137261652.db2.gz DMXMDMAZMUSKBD-UHFFFAOYSA-N 1 2 334.419 3.653 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nc1 ZINC001144265314 1137262673 /nfs/dbraw/zinc/26/26/73/1137262673.db2.gz NEQSFJFHAWFODG-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)nc1 ZINC001144265314 1137262675 /nfs/dbraw/zinc/26/26/75/1137262675.db2.gz NEQSFJFHAWFODG-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO CCOc1ccc(NC(=O)Cn2c[nH+]c(C(C)(C)C)c2)cc1OCC ZINC000865374454 1137278552 /nfs/dbraw/zinc/27/85/52/1137278552.db2.gz FIHNJMKQBAGZLB-UHFFFAOYSA-N 1 2 345.443 3.617 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)sc1C ZINC001144375295 1137280319 /nfs/dbraw/zinc/28/03/19/1137280319.db2.gz OLTPJOLLMRPWRB-TZMCWYRMSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)sc1C ZINC001144375295 1137280320 /nfs/dbraw/zinc/28/03/20/1137280320.db2.gz OLTPJOLLMRPWRB-TZMCWYRMSA-N 1 2 339.505 3.638 20 0 EHADLO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(O)cc1C(F)(F)F ZINC001144391822 1137281271 /nfs/dbraw/zinc/28/12/71/1137281271.db2.gz GBZGXAZHQSDJLQ-UHFFFAOYSA-N 1 2 333.350 3.576 20 0 EHADLO CCCC[N@H+](CC(=O)OCC)Cc1ccc(O)cc1C(F)(F)F ZINC001144391822 1137281269 /nfs/dbraw/zinc/28/12/69/1137281269.db2.gz GBZGXAZHQSDJLQ-UHFFFAOYSA-N 1 2 333.350 3.576 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C3CC3)cn1)CCO2 ZINC000865428192 1137282742 /nfs/dbraw/zinc/28/27/42/1137282742.db2.gz PTURPSQOGROELR-OAHLLOKOSA-N 1 2 348.244 3.594 20 0 EHADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000845269080 1137282764 /nfs/dbraw/zinc/28/27/64/1137282764.db2.gz OFORUDSHCBSIDA-UHFFFAOYSA-N 1 2 325.456 3.722 20 0 EHADLO C[C@H](CC(=O)OCC(=O)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845275684 1137283341 /nfs/dbraw/zinc/28/33/41/1137283341.db2.gz GXUGISJOYVONKL-SNVBAGLBSA-N 1 2 341.194 3.567 20 0 EHADLO COc1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1OC1CCCC1 ZINC000865462476 1137286186 /nfs/dbraw/zinc/28/61/86/1137286186.db2.gz MGZJOYMSZSSISH-UHFFFAOYSA-N 1 2 341.455 3.838 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cnc(C(C)C)s2)[nH+]1 ZINC000120574982 1137287033 /nfs/dbraw/zinc/28/70/33/1137287033.db2.gz POZMGOJAIMHENW-UHFFFAOYSA-N 1 2 348.468 3.776 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cccnc1Br ZINC000865475792 1137287169 /nfs/dbraw/zinc/28/71/69/1137287169.db2.gz FPYOWHUYMMEEMJ-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCCn1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)nn1 ZINC000865516394 1137290929 /nfs/dbraw/zinc/29/09/29/1137290929.db2.gz PYVXZYOEILZTHR-UHFFFAOYSA-N 1 2 334.414 3.916 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000845469293 1137293964 /nfs/dbraw/zinc/29/39/64/1137293964.db2.gz SKCQXSJVNSIGCV-MNOVXSKESA-N 1 2 332.791 3.668 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](Cc1ccccc1)c1cccnc1)n1cc[nH+]c1 ZINC000845497580 1137295150 /nfs/dbraw/zinc/29/51/50/1137295150.db2.gz HOPLUSHRIIJBDF-LPHOPBHVSA-N 1 2 335.407 3.756 20 0 EHADLO CCc1nc(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)co1 ZINC000865591015 1137297400 /nfs/dbraw/zinc/29/74/00/1137297400.db2.gz AAFPJMFRVAERND-UHFFFAOYSA-N 1 2 345.443 3.552 20 0 EHADLO CC(C)(C)OC1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865612011 1137298490 /nfs/dbraw/zinc/29/84/90/1137298490.db2.gz LQSZFQMDVCLLMT-UHFFFAOYSA-N 1 2 340.471 3.873 20 0 EHADLO CC(C)(C)OC1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865612011 1137298492 /nfs/dbraw/zinc/29/84/92/1137298492.db2.gz LQSZFQMDVCLLMT-UHFFFAOYSA-N 1 2 340.471 3.873 20 0 EHADLO C[C@H](C[C@@H](O)c1ccco1)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865611288 1137298513 /nfs/dbraw/zinc/29/85/13/1137298513.db2.gz IFTUXFIDTZKMJI-GDBMZVCRSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@H](C[C@@H](O)c1ccco1)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865611288 1137298514 /nfs/dbraw/zinc/29/85/14/1137298514.db2.gz IFTUXFIDTZKMJI-GDBMZVCRSA-N 1 2 338.411 3.606 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845651699 1137303718 /nfs/dbraw/zinc/30/37/18/1137303718.db2.gz OLJUONDUOUNEEF-LSDHHAIUSA-N 1 2 325.819 3.698 20 0 EHADLO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144545204 1137305164 /nfs/dbraw/zinc/30/51/64/1137305164.db2.gz WJHIBCCEFLLUKB-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144545204 1137305165 /nfs/dbraw/zinc/30/51/65/1137305165.db2.gz WJHIBCCEFLLUKB-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3cnccc3o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000845952001 1137320069 /nfs/dbraw/zinc/32/00/69/1137320069.db2.gz KIWQPLOIKUYBFA-UONOGXRCSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000845952001 1137320071 /nfs/dbraw/zinc/32/00/71/1137320071.db2.gz KIWQPLOIKUYBFA-UONOGXRCSA-N 1 2 345.443 3.658 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144666523 1137324963 /nfs/dbraw/zinc/32/49/63/1137324963.db2.gz MDXFWLSWTIIHIX-AWEZNQCLSA-N 1 2 349.377 3.722 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144666523 1137324965 /nfs/dbraw/zinc/32/49/65/1137324965.db2.gz MDXFWLSWTIIHIX-AWEZNQCLSA-N 1 2 349.377 3.722 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC2(CCSCC2)CC1 ZINC000866020196 1137325032 /nfs/dbraw/zinc/32/50/32/1137325032.db2.gz IYDVGZSWPKRVSH-UHFFFAOYSA-N 1 2 345.516 3.695 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC000846018006 1137326239 /nfs/dbraw/zinc/32/62/39/1137326239.db2.gz IYOXUBZAGQMTJL-FFHLKFLISA-N 1 2 341.499 3.589 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794891565 1137327614 /nfs/dbraw/zinc/32/76/14/1137327614.db2.gz GMJANXZXUDDVCT-GOSISDBHSA-N 1 2 346.475 3.589 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794891565 1137327616 /nfs/dbraw/zinc/32/76/16/1137327616.db2.gz GMJANXZXUDDVCT-GOSISDBHSA-N 1 2 346.475 3.589 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2cc(Br)cnc12 ZINC001144704098 1137331744 /nfs/dbraw/zinc/33/17/44/1137331744.db2.gz UVNYTFQNOHTDGV-LLVKDONJSA-N 1 2 345.244 3.704 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2cc(Br)cnc12 ZINC001144704098 1137331746 /nfs/dbraw/zinc/33/17/46/1137331746.db2.gz UVNYTFQNOHTDGV-LLVKDONJSA-N 1 2 345.244 3.704 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113152 1137333868 /nfs/dbraw/zinc/33/38/68/1137333868.db2.gz VMNPWERKHKHFJM-PHIMTYICSA-N 1 2 334.229 3.868 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113152 1137333870 /nfs/dbraw/zinc/33/38/70/1137333870.db2.gz VMNPWERKHKHFJM-PHIMTYICSA-N 1 2 334.229 3.868 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(F)cn1 ZINC000846120757 1137334267 /nfs/dbraw/zinc/33/42/67/1137334267.db2.gz ULXHXGFVNHLEJA-BZSNNMDCSA-N 1 2 330.378 3.854 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(F)cn1 ZINC000846120757 1137334269 /nfs/dbraw/zinc/33/42/69/1137334269.db2.gz ULXHXGFVNHLEJA-BZSNNMDCSA-N 1 2 330.378 3.854 20 0 EHADLO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2[nH+]ccc3cc(F)ccc32)no1 ZINC000866247958 1137339151 /nfs/dbraw/zinc/33/91/51/1137339151.db2.gz IALHUHYONWGZFL-VHRNVKJDSA-N 1 2 338.386 3.980 20 0 EHADLO Cc1[nH+]cc(CN[C@H]2c3ccccc3OC[C@@H]2F)n1-c1ccccc1 ZINC000866275050 1137341901 /nfs/dbraw/zinc/34/19/01/1137341901.db2.gz DOJJUMBVKLSCEC-ICSRJNTNSA-N 1 2 337.398 3.742 20 0 EHADLO Cc1cncc([C@H]2CCCN2c2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000866277652 1137341995 /nfs/dbraw/zinc/34/19/95/1137341995.db2.gz OPXQTVIXMLDCEL-MRXNPFEDSA-N 1 2 336.443 3.626 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2OC)C1 ZINC001144754031 1137342698 /nfs/dbraw/zinc/34/26/98/1137342698.db2.gz AXEPMZOKTMLIBX-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2OC)C1 ZINC001144754031 1137342700 /nfs/dbraw/zinc/34/27/00/1137342700.db2.gz AXEPMZOKTMLIBX-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000866297697 1137343539 /nfs/dbraw/zinc/34/35/39/1137343539.db2.gz ZDQNAWDGPBYHAG-JKSUJKDBSA-N 1 2 331.847 3.962 20 0 EHADLO CCCC[C@@](CC)(Nc1cn2cc[nH+]c2cc1OC)C(=O)OCC ZINC001171231679 1137355451 /nfs/dbraw/zinc/35/54/51/1137355451.db2.gz NKCGYUDASJMBEQ-GOSISDBHSA-N 1 2 333.432 3.657 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)on1 ZINC000866516164 1137360752 /nfs/dbraw/zinc/36/07/52/1137360752.db2.gz ROLLWIYKFRZIIC-GFCCVEGCSA-N 1 2 328.368 3.757 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(Cl)c1 ZINC000866566791 1137365339 /nfs/dbraw/zinc/36/53/39/1137365339.db2.gz HINVVNGUNUYSPQ-SECBINFHSA-N 1 2 329.778 3.871 20 0 EHADLO CCc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144967027 1137373894 /nfs/dbraw/zinc/37/38/94/1137373894.db2.gz RUYMGIGECWYVDW-DHZHZOJOSA-N 1 2 334.463 3.720 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3sccc3C)CC2)c(F)c1 ZINC000121720274 1137382734 /nfs/dbraw/zinc/38/27/34/1137382734.db2.gz UUBCANMLULLUAT-UHFFFAOYSA-N 1 2 332.444 3.720 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2nc(/C=C/c3ccccc3)cs2)CC1 ZINC001146399146 1137390081 /nfs/dbraw/zinc/39/00/81/1137390081.db2.gz NNRUZYJQCANUJA-BQYQJAHWSA-N 1 2 341.480 3.984 20 0 EHADLO CCOC1CC2(C[C@@H]2C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000867942634 1137390812 /nfs/dbraw/zinc/39/08/12/1137390812.db2.gz DWKJBWBSQMXDIE-XAUUPUKJSA-N 1 2 325.412 3.529 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)s1 ZINC001147256355 1137402858 /nfs/dbraw/zinc/40/28/58/1137402858.db2.gz AVOOHYFFZQGXPO-LJQANCHMSA-N 1 2 332.513 3.701 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000122105121 1137405271 /nfs/dbraw/zinc/40/52/71/1137405271.db2.gz JBXQYSKVOSRWGU-INIZCTEOSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000122105121 1137405273 /nfs/dbraw/zinc/40/52/73/1137405273.db2.gz JBXQYSKVOSRWGU-INIZCTEOSA-N 1 2 343.446 3.908 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC000868412739 1137408932 /nfs/dbraw/zinc/40/89/32/1137408932.db2.gz GKEWPSWGGMASLM-ZWKOTPCHSA-N 1 2 325.456 3.646 20 0 EHADLO COc1ccc(Nc2cccc(NC(=O)Cc3[nH]c[nH+]c3C)c2)cc1 ZINC001147890311 1137413886 /nfs/dbraw/zinc/41/38/86/1137413886.db2.gz BCECLGOWKZVRPA-UHFFFAOYSA-N 1 2 336.395 3.652 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001148319078 1137422983 /nfs/dbraw/zinc/42/29/83/1137422983.db2.gz WKQZWHBPJXXGAH-QGZVFWFLSA-N 1 2 336.426 3.756 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](Cc2cccnc2)C2CCCC2)c[nH+]1 ZINC000868792634 1137423908 /nfs/dbraw/zinc/42/39/08/1137423908.db2.gz QXHWOTCYDPTPAQ-HXUWFJFHSA-N 1 2 337.467 3.759 20 0 EHADLO Cc1ccc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](C)C2)cc1C ZINC001148723884 1137431991 /nfs/dbraw/zinc/43/19/91/1137431991.db2.gz KPKYIAQCVQUAIH-INIZCTEOSA-N 1 2 348.450 3.531 20 0 EHADLO Cc1cncc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001148779263 1137433332 /nfs/dbraw/zinc/43/33/32/1137433332.db2.gz MNIMUAJYHXLPBZ-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cncc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001148779263 1137433333 /nfs/dbraw/zinc/43/33/33/1137433333.db2.gz MNIMUAJYHXLPBZ-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104144 1137436754 /nfs/dbraw/zinc/43/67/54/1137436754.db2.gz BHVRLHHJBCWPGL-IFXJQAMLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104144 1137436757 /nfs/dbraw/zinc/43/67/57/1137436757.db2.gz BHVRLHHJBCWPGL-IFXJQAMLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104434 1137437085 /nfs/dbraw/zinc/43/70/85/1137437085.db2.gz HWQFHMFIYFFAIH-BBRMVZONSA-N 1 2 329.469 3.637 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104434 1137437087 /nfs/dbraw/zinc/43/70/87/1137437087.db2.gz HWQFHMFIYFFAIH-BBRMVZONSA-N 1 2 329.469 3.637 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)C1 ZINC000339090257 1137441078 /nfs/dbraw/zinc/44/10/78/1137441078.db2.gz UYXWCKLEHDHYCG-FLTUCWPJSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)n2)C1 ZINC000339090257 1137441080 /nfs/dbraw/zinc/44/10/80/1137441080.db2.gz UYXWCKLEHDHYCG-FLTUCWPJSA-N 1 2 333.501 3.750 20 0 EHADLO Cn1c[nH+]cc1CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000348124265 1137443231 /nfs/dbraw/zinc/44/32/31/1137443231.db2.gz UBLNBWXFQNRTDL-UHFFFAOYSA-N 1 2 340.814 3.938 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000017821052 1137465120 /nfs/dbraw/zinc/46/51/20/1137465120.db2.gz XITQSZSYNORECU-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO FC(F)Oc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714016097 1137471427 /nfs/dbraw/zinc/47/14/27/1137471427.db2.gz UJIPZVOMCKBMRU-UHFFFAOYSA-N 1 2 349.200 3.797 20 0 EHADLO COCCCOCC[N@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000773270247 1137484068 /nfs/dbraw/zinc/48/40/68/1137484068.db2.gz DAHYWPRHUZLPNJ-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO COCCCOCC[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000773270247 1137484069 /nfs/dbraw/zinc/48/40/69/1137484069.db2.gz DAHYWPRHUZLPNJ-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO Fc1cccc(F)c1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001171511312 1137495199 /nfs/dbraw/zinc/49/51/99/1137495199.db2.gz RUPAHQFILCJRQL-UHFFFAOYSA-N 1 2 336.813 3.983 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H]2CCc3c(C)cccc3C2)Cc2ccccc2C1 ZINC001171557253 1137497630 /nfs/dbraw/zinc/49/76/30/1137497630.db2.gz SHLMEADVLBCFNU-HXUWFJFHSA-N 1 2 349.474 3.543 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC001171707778 1137505420 /nfs/dbraw/zinc/50/54/20/1137505420.db2.gz VZBHUGRXCYEXSO-ZIAGYGMSSA-N 1 2 331.412 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC001171707778 1137505422 /nfs/dbraw/zinc/50/54/22/1137505422.db2.gz VZBHUGRXCYEXSO-ZIAGYGMSSA-N 1 2 331.412 3.609 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809790 1137514099 /nfs/dbraw/zinc/51/40/99/1137514099.db2.gz JKMIUYQVXJXAKO-CXAGYDPISA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809790 1137514101 /nfs/dbraw/zinc/51/41/01/1137514101.db2.gz JKMIUYQVXJXAKO-CXAGYDPISA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC2(F)F)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171812508 1137514580 /nfs/dbraw/zinc/51/45/80/1137514580.db2.gz QBHBCXBTYKCHBQ-XJFOESAGSA-N 1 2 332.435 3.940 20 0 EHADLO C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1)n1cc[nH+]c1 ZINC000871142603 1137523511 /nfs/dbraw/zinc/52/35/11/1137523511.db2.gz NSDJQIDBDAATQH-CYBMUJFWSA-N 1 2 335.411 3.740 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001171974401 1137524522 /nfs/dbraw/zinc/52/45/22/1137524522.db2.gz TYLNBASEYOWHRK-MFKMUULPSA-N 1 2 341.295 3.900 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001171974401 1137524524 /nfs/dbraw/zinc/52/45/24/1137524524.db2.gz TYLNBASEYOWHRK-MFKMUULPSA-N 1 2 341.295 3.900 20 0 EHADLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001172324302 1137547374 /nfs/dbraw/zinc/54/73/74/1137547374.db2.gz GHUUOBCHRSJOHK-KFWWJZLASA-N 1 2 333.538 3.633 20 0 EHADLO CCCCn1c(SC[C@H]2C[C@@H](OC)C2)nnc1[C@H](CC)[NH+](C)C ZINC000871627257 1137550000 /nfs/dbraw/zinc/55/00/00/1137550000.db2.gz FKQROSOYWVERIA-ZNMIVQPWSA-N 1 2 340.537 3.608 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2nccs2)CC1 ZINC000871739577 1137557036 /nfs/dbraw/zinc/55/70/36/1137557036.db2.gz JRIUVEYNDDHPHN-HNNXBMFYSA-N 1 2 348.447 3.583 20 0 EHADLO COc1cccc2c(NC[C@H](C)NC(=O)OC(C)(C)C)cc[nH+]c12 ZINC000795190236 1137560308 /nfs/dbraw/zinc/56/03/08/1137560308.db2.gz WQYAOBIIVKEFLV-LBPRGKRZSA-N 1 2 331.416 3.569 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc(O)ccc1F ZINC000872019874 1137565066 /nfs/dbraw/zinc/56/50/66/1137565066.db2.gz AWRFHDUIGOJGRX-JTQLQIEISA-N 1 2 344.308 3.718 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000872059596 1137568768 /nfs/dbraw/zinc/56/87/68/1137568768.db2.gz ITJWQMJAYFABOS-AEFFLSMTSA-N 1 2 330.472 3.815 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872114930 1137572042 /nfs/dbraw/zinc/57/20/42/1137572042.db2.gz DVQKFBIWHYYYFW-VIFPVBQESA-N 1 2 339.848 3.614 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872262069 1137576807 /nfs/dbraw/zinc/57/68/07/1137576807.db2.gz OGTZURBFOZCCSG-LBPRGKRZSA-N 1 2 332.275 3.651 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872262069 1137576808 /nfs/dbraw/zinc/57/68/08/1137576808.db2.gz OGTZURBFOZCCSG-LBPRGKRZSA-N 1 2 332.275 3.651 20 0 EHADLO C[C@@H]1CCN(c2cc(C(C)(C)C)nc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000872482699 1137580721 /nfs/dbraw/zinc/58/07/21/1137580721.db2.gz YJJWPEFRZPETNW-OLZOCXBDSA-N 1 2 333.867 3.712 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc2ncccc12 ZINC000872714543 1137583053 /nfs/dbraw/zinc/58/30/53/1137583053.db2.gz MACWKFNSVKWNBR-UHFFFAOYSA-N 1 2 332.411 3.742 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000873006894 1137587863 /nfs/dbraw/zinc/58/78/63/1137587863.db2.gz BBXYOCUSRAUYLH-UHFFFAOYSA-N 1 2 344.430 3.878 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000873129099 1137590815 /nfs/dbraw/zinc/59/08/15/1137590815.db2.gz GUVCOBXZKCRNAA-MFKMUULPSA-N 1 2 338.224 3.889 20 0 EHADLO CCN(C(C)=O)c1nc(CNc2[nH]c3ccc(Cl)cc3[nH+]2)cs1 ZINC000873190222 1137593221 /nfs/dbraw/zinc/59/32/21/1137593221.db2.gz YEMPNJKYXIQCST-UHFFFAOYSA-N 1 2 349.847 3.658 20 0 EHADLO CCN(C(C)=O)c1nc(CNc2[nH]c3cc(Cl)ccc3[nH+]2)cs1 ZINC000873190222 1137593222 /nfs/dbraw/zinc/59/32/22/1137593222.db2.gz YEMPNJKYXIQCST-UHFFFAOYSA-N 1 2 349.847 3.658 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001137069805 1137595651 /nfs/dbraw/zinc/59/56/51/1137595651.db2.gz NVUYLTQQHWLIMV-UHFFFAOYSA-N 1 2 348.450 3.624 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001137069805 1137595652 /nfs/dbraw/zinc/59/56/52/1137595652.db2.gz NVUYLTQQHWLIMV-UHFFFAOYSA-N 1 2 348.450 3.624 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)CC3CCOCC3)c(=S)o2)c(C)c1 ZINC000124656590 1137606663 /nfs/dbraw/zinc/60/66/63/1137606663.db2.gz XWAKJOCUMHEVAJ-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)CC3CCOCC3)c(=S)o2)c(C)c1 ZINC000124656590 1137606664 /nfs/dbraw/zinc/60/66/64/1137606664.db2.gz XWAKJOCUMHEVAJ-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)cc1Cl ZINC000124791353 1137609485 /nfs/dbraw/zinc/60/94/85/1137609485.db2.gz IWRSYTBPNIJFGU-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC1CCCCCCC1 ZINC000874110224 1137610634 /nfs/dbraw/zinc/61/06/34/1137610634.db2.gz YJCZIAKKNHKETO-AWEZNQCLSA-N 1 2 331.382 3.853 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3(Br)CC3)c2)[nH+]c1C ZINC000874161231 1137611305 /nfs/dbraw/zinc/61/13/05/1137611305.db2.gz PQIVIFUYYBJGAF-UHFFFAOYSA-N 1 2 334.217 3.560 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000874254937 1137612160 /nfs/dbraw/zinc/61/21/60/1137612160.db2.gz KOGVPKRCDFJJRF-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO CC(C)c1nsc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000874697018 1137621454 /nfs/dbraw/zinc/62/14/54/1137621454.db2.gz WXANNDDZKUULAU-LBPRGKRZSA-N 1 2 338.864 3.556 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)s1 ZINC000874892722 1137625753 /nfs/dbraw/zinc/62/57/53/1137625753.db2.gz KVHLPMGVDUWQFW-SFHVURJKSA-N 1 2 346.471 3.691 20 0 EHADLO CCC1(CC)CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000875034300 1137628233 /nfs/dbraw/zinc/62/82/33/1137628233.db2.gz QRYXIUJMCRZKIL-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000125631966 1137639428 /nfs/dbraw/zinc/63/94/28/1137639428.db2.gz XIRSQNNNFQRXPM-IBGZPJMESA-N 1 2 345.826 3.839 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000125631966 1137639429 /nfs/dbraw/zinc/63/94/29/1137639429.db2.gz XIRSQNNNFQRXPM-IBGZPJMESA-N 1 2 345.826 3.839 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000876336383 1137649209 /nfs/dbraw/zinc/64/92/09/1137649209.db2.gz NFPXRFKKWTUULJ-CQSZACIVSA-N 1 2 346.500 3.789 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3cc(F)cc(F)c3F)CC2)c1 ZINC001137872059 1137649847 /nfs/dbraw/zinc/64/98/47/1137649847.db2.gz AUCZQUITIAUBQZ-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO Cc1ccc(N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C2CCC2)cc1 ZINC000923649820 1137654869 /nfs/dbraw/zinc/65/48/69/1137654869.db2.gz YZVKHXLPIGOFJT-UHFFFAOYSA-N 1 2 332.407 3.775 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1Br ZINC000876585610 1137656315 /nfs/dbraw/zinc/65/63/15/1137656315.db2.gz POPCTZZCEHOBSC-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1Br ZINC000876585610 1137656316 /nfs/dbraw/zinc/65/63/16/1137656316.db2.gz POPCTZZCEHOBSC-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000126233391 1137664948 /nfs/dbraw/zinc/66/49/48/1137664948.db2.gz APHRBOBJKSWJQN-UHFFFAOYSA-N 1 2 329.350 3.889 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2cccnc2OC2CCCC2)c1C ZINC000876929039 1137665500 /nfs/dbraw/zinc/66/55/00/1137665500.db2.gz ATQDHZLSYZMOQE-UHFFFAOYSA-N 1 2 341.455 3.713 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(Cl)cs2)cc(OC)c1OC ZINC000876933551 1137665539 /nfs/dbraw/zinc/66/55/39/1137665539.db2.gz SFOPIMBHPLZRIF-VIFPVBQESA-N 1 2 342.848 3.673 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc(Cl)cs2)[C@@H]2CCCO2)cc1 ZINC000876978967 1137666774 /nfs/dbraw/zinc/66/67/74/1137666774.db2.gz RREJYBKCAPTBHX-WFASDCNBSA-N 1 2 326.824 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2nnc(-c3ccccc3)s2)c1C ZINC000877095088 1137670083 /nfs/dbraw/zinc/67/00/83/1137670083.db2.gz VXBMIVZOZCIIER-UHFFFAOYSA-N 1 2 340.452 3.515 20 0 EHADLO COCC1(C)CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000877172711 1137672343 /nfs/dbraw/zinc/67/23/43/1137672343.db2.gz SXGBRRKFIXGBOA-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)c1C ZINC000126395709 1137672433 /nfs/dbraw/zinc/67/24/33/1137672433.db2.gz HJZAMPIVEROOQQ-CYBMUJFWSA-N 1 2 347.846 3.921 20 0 EHADLO Brc1cc2c(c(C[NH2+]Cc3cc(C4CC4)no3)c1)OCC2 ZINC000877375296 1137675018 /nfs/dbraw/zinc/67/50/18/1137675018.db2.gz QPBCZYOABNTOLJ-UHFFFAOYSA-N 1 2 349.228 3.539 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3c(ccnc3Cl)o2)[nH]1 ZINC000877475612 1137677604 /nfs/dbraw/zinc/67/76/04/1137677604.db2.gz UTKVCWILMLZINP-ZJUUUORDSA-N 1 2 333.823 3.964 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1csnn1 ZINC000877590056 1137682228 /nfs/dbraw/zinc/68/22/28/1137682228.db2.gz PAPKFOXUACOWNC-NSHDSACASA-N 1 2 334.445 3.736 20 0 EHADLO FC1(F)C[C@]12CC[N@H+](Cc1nc(Cl)ccc1Br)C2 ZINC000877616657 1137683222 /nfs/dbraw/zinc/68/32/22/1137683222.db2.gz MMBHOUZAMHZIGT-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@]12CC[N@@H+](Cc1nc(Cl)ccc1Br)C2 ZINC000877616657 1137683223 /nfs/dbraw/zinc/68/32/23/1137683223.db2.gz MMBHOUZAMHZIGT-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO CCOP(=O)(CCC[NH+]1Cc2cc(F)c(F)cc2C1)OCC ZINC000877619065 1137683245 /nfs/dbraw/zinc/68/32/45/1137683245.db2.gz NASITROXTYLDCA-UHFFFAOYSA-N 1 2 333.315 3.937 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c(F)c1 ZINC000877635752 1137683751 /nfs/dbraw/zinc/68/37/51/1137683751.db2.gz CUSSKXNDACVDPG-UHFFFAOYSA-N 1 2 336.432 3.656 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cccnc2Br)[C@H](c2ccccc2)C1 ZINC000877672435 1137685190 /nfs/dbraw/zinc/68/51/90/1137685190.db2.gz FBOHNYYPJNMFGT-CVEARBPZSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cccnc2Br)[C@H](c2ccccc2)C1 ZINC000877672435 1137685191 /nfs/dbraw/zinc/68/51/91/1137685191.db2.gz FBOHNYYPJNMFGT-CVEARBPZSA-N 1 2 347.256 3.542 20 0 EHADLO C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877822737 1137692081 /nfs/dbraw/zinc/69/20/81/1137692081.db2.gz HWOWBSNTTOIHFB-IUODEOHRSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877822737 1137692082 /nfs/dbraw/zinc/69/20/82/1137692082.db2.gz HWOWBSNTTOIHFB-IUODEOHRSA-N 1 2 340.345 3.883 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1Cl)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877824552 1137692131 /nfs/dbraw/zinc/69/21/31/1137692131.db2.gz IZAJQPGLNWOHLW-HNNXBMFYSA-N 1 2 346.814 3.503 20 0 EHADLO C[N@H+](Cc1cccc(O)c1Cl)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877824552 1137692132 /nfs/dbraw/zinc/69/21/32/1137692132.db2.gz IZAJQPGLNWOHLW-HNNXBMFYSA-N 1 2 346.814 3.503 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+](Cc2cccc(F)c2)C2CC2)o1 ZINC000877977012 1137697924 /nfs/dbraw/zinc/69/79/24/1137697924.db2.gz UTHKEIMFJAUIPZ-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+](Cc2cccc(F)c2)C2CC2)o1 ZINC000877977012 1137697925 /nfs/dbraw/zinc/69/79/25/1137697925.db2.gz UTHKEIMFJAUIPZ-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000878115089 1137702993 /nfs/dbraw/zinc/70/29/93/1137702993.db2.gz WIAMSEXWENQVDY-MAUKXSAKSA-N 1 2 341.480 3.507 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000878115089 1137702994 /nfs/dbraw/zinc/70/29/94/1137702994.db2.gz WIAMSEXWENQVDY-MAUKXSAKSA-N 1 2 341.480 3.507 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC(C)(C)CO1 ZINC000878140239 1137704110 /nfs/dbraw/zinc/70/41/10/1137704110.db2.gz ZADATNZWJIJHHA-GOSISDBHSA-N 1 2 327.472 3.568 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC(C)(C)CO1 ZINC000878140239 1137704111 /nfs/dbraw/zinc/70/41/11/1137704111.db2.gz ZADATNZWJIJHHA-GOSISDBHSA-N 1 2 327.472 3.568 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000878198381 1137706659 /nfs/dbraw/zinc/70/66/59/1137706659.db2.gz MZCIUCXFOWJAHP-SFHVURJKSA-N 1 2 339.439 3.607 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000878198381 1137706660 /nfs/dbraw/zinc/70/66/60/1137706660.db2.gz MZCIUCXFOWJAHP-SFHVURJKSA-N 1 2 339.439 3.607 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(C(=O)OC)ccc1OC)c1nc(C)cs1 ZINC000878262838 1137709014 /nfs/dbraw/zinc/70/90/14/1137709014.db2.gz WTDLQXGTLBDGKY-GOSISDBHSA-N 1 2 348.468 3.662 20 0 EHADLO c1cc2c(cc1[C@@H]([NH2+]Cc1nc3c(o1)CCCC3)C1CC1)OCCO2 ZINC000878375842 1137713411 /nfs/dbraw/zinc/71/34/11/1137713411.db2.gz RFARHIZIPUWUSP-FQEVSTJZSA-N 1 2 340.423 3.566 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000878391092 1137713961 /nfs/dbraw/zinc/71/39/61/1137713961.db2.gz IMXUEYMUPJHKRW-CHWSQXEVSA-N 1 2 344.377 3.730 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000878391092 1137713962 /nfs/dbraw/zinc/71/39/62/1137713962.db2.gz IMXUEYMUPJHKRW-CHWSQXEVSA-N 1 2 344.377 3.730 20 0 EHADLO Clc1ccc(OC2CC[NH+](Cc3cc[nH]n3)CC2)cc1Cl ZINC001137131068 1137714119 /nfs/dbraw/zinc/71/41/19/1137714119.db2.gz VDCHOGHFJSJOOR-UHFFFAOYSA-N 1 2 326.227 3.760 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405436 1137714471 /nfs/dbraw/zinc/71/44/71/1137714471.db2.gz ZYBWJWPRBKTRTH-CZUORRHYSA-N 1 2 335.398 3.740 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405436 1137714472 /nfs/dbraw/zinc/71/44/72/1137714472.db2.gz ZYBWJWPRBKTRTH-CZUORRHYSA-N 1 2 335.398 3.740 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)cccc1Cl)c1ccco1 ZINC000878409427 1137714823 /nfs/dbraw/zinc/71/48/23/1137714823.db2.gz KNJAJULKXJULAF-TZMCWYRMSA-N 1 2 336.819 3.546 20 0 EHADLO CCn1ccc(C[N@H+](C)Cc2coc(-c3ccccc3OC)n2)c1 ZINC000878499278 1137718056 /nfs/dbraw/zinc/71/80/56/1137718056.db2.gz UUXYTVJDXLUQIQ-UHFFFAOYSA-N 1 2 325.412 3.804 20 0 EHADLO CCn1ccc(C[N@@H+](C)Cc2coc(-c3ccccc3OC)n2)c1 ZINC000878499278 1137718057 /nfs/dbraw/zinc/71/80/57/1137718057.db2.gz UUXYTVJDXLUQIQ-UHFFFAOYSA-N 1 2 325.412 3.804 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001137134243 1137721120 /nfs/dbraw/zinc/72/11/20/1137721120.db2.gz MBCOBRJLZCKSLS-UHFFFAOYSA-N 1 2 346.471 3.527 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3c(o2)CCCC3)c(C)c1OC ZINC000878619817 1137722676 /nfs/dbraw/zinc/72/26/76/1137722676.db2.gz IEOJKPSMQBOZPL-ZDUSSCGKSA-N 1 2 330.428 3.730 20 0 EHADLO Brc1cccnc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000878649107 1137723774 /nfs/dbraw/zinc/72/37/74/1137723774.db2.gz VXMIDLXWBQOJPE-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cccnc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000878649107 1137723775 /nfs/dbraw/zinc/72/37/75/1137723775.db2.gz VXMIDLXWBQOJPE-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@]3(CCSC3)C2)sc1Br ZINC000878690437 1137725323 /nfs/dbraw/zinc/72/53/23/1137725323.db2.gz VLGNCIUHRWRXND-ZDUSSCGKSA-N 1 2 347.347 3.933 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@]3(CCSC3)C2)sc1Br ZINC000878690437 1137725324 /nfs/dbraw/zinc/72/53/24/1137725324.db2.gz VLGNCIUHRWRXND-ZDUSSCGKSA-N 1 2 347.347 3.933 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000878770699 1137727791 /nfs/dbraw/zinc/72/77/91/1137727791.db2.gz SUMCMFIWQVYRTQ-LJQANCHMSA-N 1 2 333.435 3.722 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000878770699 1137727792 /nfs/dbraw/zinc/72/77/92/1137727792.db2.gz SUMCMFIWQVYRTQ-LJQANCHMSA-N 1 2 333.435 3.722 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000878770698 1137727816 /nfs/dbraw/zinc/72/78/16/1137727816.db2.gz SUMCMFIWQVYRTQ-IBGZPJMESA-N 1 2 333.435 3.722 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000878770698 1137727817 /nfs/dbraw/zinc/72/78/17/1137727817.db2.gz SUMCMFIWQVYRTQ-IBGZPJMESA-N 1 2 333.435 3.722 20 0 EHADLO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(C(F)F)n[nH]3)c2C1 ZINC000879234606 1137741673 /nfs/dbraw/zinc/74/16/73/1137741673.db2.gz AIBSNACGAMQCLU-UHFFFAOYSA-N 1 2 334.370 3.571 20 0 EHADLO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(C(F)F)n[nH]3)c2C1 ZINC000879234606 1137741674 /nfs/dbraw/zinc/74/16/74/1137741674.db2.gz AIBSNACGAMQCLU-UHFFFAOYSA-N 1 2 334.370 3.571 20 0 EHADLO COc1ccc(C[N@H+](C/C(Cl)=C/Cl)[C@H](C)CCCO)cc1 ZINC000879287534 1137743431 /nfs/dbraw/zinc/74/34/31/1137743431.db2.gz KEVMZYWQRNAUAA-NWFCWYBLSA-N 1 2 332.271 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C/C(Cl)=C/Cl)[C@H](C)CCCO)cc1 ZINC000879287534 1137743432 /nfs/dbraw/zinc/74/34/32/1137743432.db2.gz KEVMZYWQRNAUAA-NWFCWYBLSA-N 1 2 332.271 3.977 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2CSC2=NCCS2)cc[nH+]1 ZINC000127680276 1137744753 /nfs/dbraw/zinc/74/47/53/1137744753.db2.gz WRBYRJUZUZTUKI-UHFFFAOYSA-N 1 2 343.477 3.978 20 0 EHADLO c1ccc2c(C[N@H+]3Cc4cccnc4N4CCC[C@@H]4C3)nsc2c1 ZINC000879499936 1137749261 /nfs/dbraw/zinc/74/92/61/1137749261.db2.gz IFLLRVIJTNNGNF-OAHLLOKOSA-N 1 2 336.464 3.676 20 0 EHADLO c1ccc2c(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)nsc2c1 ZINC000879499936 1137749262 /nfs/dbraw/zinc/74/92/62/1137749262.db2.gz IFLLRVIJTNNGNF-OAHLLOKOSA-N 1 2 336.464 3.676 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551203 1137750603 /nfs/dbraw/zinc/75/06/03/1137750603.db2.gz OUFSNODFLJUGJH-NSHDSACASA-N 1 2 343.431 3.538 20 0 EHADLO c1c(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000879688823 1137755320 /nfs/dbraw/zinc/75/53/20/1137755320.db2.gz GDKXVSLEFVJEBF-IBGZPJMESA-N 1 2 346.434 3.721 20 0 EHADLO c1c(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000879688823 1137755321 /nfs/dbraw/zinc/75/53/21/1137755321.db2.gz GDKXVSLEFVJEBF-IBGZPJMESA-N 1 2 346.434 3.721 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC=C(Cl)C3)ccc21 ZINC000879719946 1137756629 /nfs/dbraw/zinc/75/66/29/1137756629.db2.gz QIEBEPOIWUOQEM-UHFFFAOYSA-N 1 2 330.819 3.661 20 0 EHADLO Cc1nc2c(cccc2NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000879821338 1137759857 /nfs/dbraw/zinc/75/98/57/1137759857.db2.gz BGOYETFYLVRBHN-HNNXBMFYSA-N 1 2 341.415 3.569 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880088767 1137767692 /nfs/dbraw/zinc/76/76/92/1137767692.db2.gz PQSSFHKARHKVHU-GFCCVEGCSA-N 1 2 328.412 3.689 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880088767 1137767693 /nfs/dbraw/zinc/76/76/93/1137767693.db2.gz PQSSFHKARHKVHU-GFCCVEGCSA-N 1 2 328.412 3.689 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000880172788 1137769881 /nfs/dbraw/zinc/76/98/81/1137769881.db2.gz BVZFXGLOSLWTSR-MRXNPFEDSA-N 1 2 332.469 3.980 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000880172788 1137769882 /nfs/dbraw/zinc/76/98/82/1137769882.db2.gz BVZFXGLOSLWTSR-MRXNPFEDSA-N 1 2 332.469 3.980 20 0 EHADLO FC(F)(F)c1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880188418 1137770529 /nfs/dbraw/zinc/77/05/29/1137770529.db2.gz DQLSOEHKJQYRTL-IRXDYDNUSA-N 1 2 333.357 3.564 20 0 EHADLO FC(F)(F)c1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880188418 1137770530 /nfs/dbraw/zinc/77/05/30/1137770530.db2.gz DQLSOEHKJQYRTL-IRXDYDNUSA-N 1 2 333.357 3.564 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC3(CCCCO3)CC2)nc2ccc(Cl)cc21 ZINC000880457565 1137779203 /nfs/dbraw/zinc/77/92/03/1137779203.db2.gz SGEMTOFYMRKWOM-UHFFFAOYSA-N 1 2 347.846 3.524 20 0 EHADLO Cc1cc(NCCNC(=O)CC(C)(C)CC(F)F)nc(C(C)C)[nH+]1 ZINC000880844012 1137791152 /nfs/dbraw/zinc/79/11/52/1137791152.db2.gz NKRPBPWCIFUKNN-UHFFFAOYSA-N 1 2 342.434 3.508 20 0 EHADLO CCCOc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1C(C)C ZINC000881195433 1137803261 /nfs/dbraw/zinc/80/32/61/1137803261.db2.gz JEHWYZGYEKNIIS-UHFFFAOYSA-N 1 2 342.443 3.898 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@H]1CCCC1(F)F ZINC000881585387 1137810862 /nfs/dbraw/zinc/81/08/62/1137810862.db2.gz AHPGVQZCEZHBMI-CVEARBPZSA-N 1 2 347.409 3.873 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000888904107 1137820087 /nfs/dbraw/zinc/82/00/87/1137820087.db2.gz HXRIFRHPWYPXDE-CEXWTWQISA-N 1 2 337.467 3.678 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000882221383 1137823935 /nfs/dbraw/zinc/82/39/35/1137823935.db2.gz VZZBJDPDOLNSRZ-LLVKDONJSA-N 1 2 339.361 3.659 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000882221383 1137823936 /nfs/dbraw/zinc/82/39/36/1137823936.db2.gz VZZBJDPDOLNSRZ-LLVKDONJSA-N 1 2 339.361 3.659 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000882569948 1137829516 /nfs/dbraw/zinc/82/95/16/1137829516.db2.gz SAXBGRLVXPTBSU-FZMZJTMJSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000882870546 1137836187 /nfs/dbraw/zinc/83/61/87/1137836187.db2.gz LNMODWLTZCHXPN-KSZLIROESA-N 1 2 337.448 3.606 20 0 EHADLO Cc1nc(CO[NH+]=C(N)Cc2cccs2)sc1Br ZINC000882968082 1137840051 /nfs/dbraw/zinc/84/00/51/1137840051.db2.gz BZJNQXAOJBHPMT-UHFFFAOYSA-N 1 2 346.275 3.517 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000883137887 1137846131 /nfs/dbraw/zinc/84/61/31/1137846131.db2.gz PODYSXDHWLOUBK-MRXNPFEDSA-N 1 2 342.270 3.837 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(Br)n1)c1c(F)cccc1F ZINC000131096178 1137846328 /nfs/dbraw/zinc/84/63/28/1137846328.db2.gz OEWDDOBZFHEFKY-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)n1 ZINC000883275002 1137851854 /nfs/dbraw/zinc/85/18/54/1137851854.db2.gz CJQWBFOFTSUYKL-ZWNOBZJWSA-N 1 2 341.274 3.598 20 0 EHADLO CC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(OC)c1OC ZINC000883311352 1137853950 /nfs/dbraw/zinc/85/39/50/1137853950.db2.gz XFYKWBJMKILSFM-OAHLLOKOSA-N 1 2 327.428 3.614 20 0 EHADLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(Br)cc1 ZINC000883313566 1137854218 /nfs/dbraw/zinc/85/42/18/1137854218.db2.gz HIQGHEVQAAWAPO-LBPRGKRZSA-N 1 2 332.245 3.969 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c[nH+]c1C ZINC000883341849 1137855975 /nfs/dbraw/zinc/85/59/75/1137855975.db2.gz BFRWNZPAZFSRJQ-GFCCVEGCSA-N 1 2 340.395 3.868 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[C@H](C)Nc2c[nH+]c(C)c(C)c2)c1 ZINC000883341554 1137856046 /nfs/dbraw/zinc/85/60/46/1137856046.db2.gz SZEADEGNLIJSDL-ZDUSSCGKSA-N 1 2 343.427 3.545 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883384018 1137858547 /nfs/dbraw/zinc/85/85/47/1137858547.db2.gz KJWHKVXJHYEHHL-OXJNMPFZSA-N 1 2 345.414 3.828 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)c(F)c1 ZINC000027553147 1137858688 /nfs/dbraw/zinc/85/86/88/1137858688.db2.gz LOQTWUFSENQPJC-UHFFFAOYSA-N 1 2 326.415 3.659 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)no1 ZINC000883385720 1137858835 /nfs/dbraw/zinc/85/88/35/1137858835.db2.gz RJYPMRWWHSHLRJ-RHSMWYFYSA-N 1 2 328.412 3.707 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000883463451 1137861155 /nfs/dbraw/zinc/86/11/55/1137861155.db2.gz QDHLJXNHZDRISZ-QGZVFWFLSA-N 1 2 338.386 3.911 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101864417 1137871877 /nfs/dbraw/zinc/87/18/77/1137871877.db2.gz IQAJLARTKLHZKI-UHFFFAOYSA-N 1 2 325.456 3.632 20 0 EHADLO Cc1nc2ccc(NC(=O)NCCCCNc3cccc[nH+]3)cc2o1 ZINC000104991079 1137879795 /nfs/dbraw/zinc/87/97/95/1137879795.db2.gz XFJBTVJIPBLOAJ-UHFFFAOYSA-N 1 2 339.399 3.545 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccnn2-c2ccccc2C)c[nH+]1 ZINC001202609450 1137883032 /nfs/dbraw/zinc/88/30/32/1137883032.db2.gz MINJKFJZWFFFED-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000106878619 1137884887 /nfs/dbraw/zinc/88/48/87/1137884887.db2.gz CYSMPJNISPOGGH-GXTWGEPZSA-N 1 2 331.485 3.630 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000106878619 1137884888 /nfs/dbraw/zinc/88/48/88/1137884888.db2.gz CYSMPJNISPOGGH-GXTWGEPZSA-N 1 2 331.485 3.630 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000107394052 1137887087 /nfs/dbraw/zinc/88/70/87/1137887087.db2.gz SRXAMCTWKROWJC-MRXNPFEDSA-N 1 2 326.444 3.608 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000883983630 1137887095 /nfs/dbraw/zinc/88/70/95/1137887095.db2.gz FSNOZFHZOAFAQJ-CYBMUJFWSA-N 1 2 349.356 3.662 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)oc1C ZINC000282872192 1137891893 /nfs/dbraw/zinc/89/18/93/1137891893.db2.gz VFRPMZYTAODHFC-QWHCGFSZSA-N 1 2 325.416 3.797 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000007613790 1137891962 /nfs/dbraw/zinc/89/19/62/1137891962.db2.gz MNXFXFQWRIDWAH-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000007613790 1137891963 /nfs/dbraw/zinc/89/19/63/1137891963.db2.gz MNXFXFQWRIDWAH-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO COC1CCC(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000348277742 1137892323 /nfs/dbraw/zinc/89/23/23/1137892323.db2.gz HQNKKVQXOBVTOW-UHFFFAOYSA-N 1 2 341.455 3.506 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111375695 1137904388 /nfs/dbraw/zinc/90/43/88/1137904388.db2.gz ACRVKAIOJMAFDS-OLZOCXBDSA-N 1 2 347.484 3.782 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(CC)cc2)cs1 ZINC000111375879 1137904398 /nfs/dbraw/zinc/90/43/98/1137904398.db2.gz NBXYXISQKQGIEW-CHWSQXEVSA-N 1 2 331.485 3.946 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681407 1137917081 /nfs/dbraw/zinc/91/70/81/1137917081.db2.gz WFGBUDZOXOFLIQ-CJNGLKHVSA-N 1 2 328.460 3.694 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681407 1137917082 /nfs/dbraw/zinc/91/70/82/1137917082.db2.gz WFGBUDZOXOFLIQ-CJNGLKHVSA-N 1 2 328.460 3.694 20 0 EHADLO Brc1ccc(-c2noc(C[N@@H+]3CCC34CCC4)n2)s1 ZINC000348303412 1137923635 /nfs/dbraw/zinc/92/36/35/1137923635.db2.gz FHJJBAYIAIQNAI-UHFFFAOYSA-N 1 2 340.246 3.689 20 0 EHADLO Brc1ccc(-c2noc(C[N@H+]3CCC34CCC4)n2)s1 ZINC000348303412 1137923636 /nfs/dbraw/zinc/92/36/36/1137923636.db2.gz FHJJBAYIAIQNAI-UHFFFAOYSA-N 1 2 340.246 3.689 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000331900954 1137925044 /nfs/dbraw/zinc/92/50/44/1137925044.db2.gz SIKNJBQFZHGHRC-QGZVFWFLSA-N 1 2 325.412 3.612 20 0 EHADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000116192490 1137925120 /nfs/dbraw/zinc/92/51/20/1137925120.db2.gz FNWQKDBVJPHHIC-HNNXBMFYSA-N 1 2 329.419 3.723 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2)cs1 ZINC000348306371 1137925263 /nfs/dbraw/zinc/92/52/63/1137925263.db2.gz DLJKNPUAXYCQGB-ZIAGYGMSSA-N 1 2 331.485 3.576 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)c(C)[nH+]1 ZINC000331924320 1137925765 /nfs/dbraw/zinc/92/57/65/1137925765.db2.gz VRSZSENGCAECQF-QGZVFWFLSA-N 1 2 343.402 3.751 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC001202700276 1137931242 /nfs/dbraw/zinc/93/12/42/1137931242.db2.gz TWRWWPWWNZNTJL-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000332148714 1137933478 /nfs/dbraw/zinc/93/34/78/1137933478.db2.gz IAZPGTUKMYHFQR-SFHVURJKSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000332293605 1137938701 /nfs/dbraw/zinc/93/87/01/1137938701.db2.gz LRFNNYHBKBQMES-AWEZNQCLSA-N 1 2 344.846 3.752 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000015521909 1137940418 /nfs/dbraw/zinc/94/04/18/1137940418.db2.gz DLBWNGVRKSZAEC-MRXNPFEDSA-N 1 2 335.810 3.593 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000015521909 1137940419 /nfs/dbraw/zinc/94/04/19/1137940419.db2.gz DLBWNGVRKSZAEC-MRXNPFEDSA-N 1 2 335.810 3.593 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120218188 1137947467 /nfs/dbraw/zinc/94/74/67/1137947467.db2.gz NCVXGGDYRSEIJQ-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120218188 1137947468 /nfs/dbraw/zinc/94/74/68/1137947468.db2.gz NCVXGGDYRSEIJQ-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282916942 1137952926 /nfs/dbraw/zinc/95/29/26/1137952926.db2.gz YETLRXVMZDHCKR-INIZCTEOSA-N 1 2 348.450 3.721 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@H](C)c1nc(-c2cccnc2)no1)C(C)C ZINC000120871227 1137953134 /nfs/dbraw/zinc/95/31/34/1137953134.db2.gz RNGVBPXRFDVTFK-GDBMZVCRSA-N 1 2 337.427 3.883 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333132606 1137956268 /nfs/dbraw/zinc/95/62/68/1137956268.db2.gz IYIIVIXUFNTIFQ-DOTOQJQBSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1csc(C[C@@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)n1 ZINC000884715366 1137970811 /nfs/dbraw/zinc/97/08/11/1137970811.db2.gz REWCNYRLWNDAOY-AWEZNQCLSA-N 1 2 328.485 3.886 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885248167 1137991999 /nfs/dbraw/zinc/99/19/99/1137991999.db2.gz MDUXXKGMASGEAY-INIZCTEOSA-N 1 2 337.876 3.612 20 0 EHADLO Cn1ccnc1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348344650 1137993126 /nfs/dbraw/zinc/99/31/26/1137993126.db2.gz FTHVYSFDFRUKSX-QGZVFWFLSA-N 1 2 326.831 3.542 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCc2cccnc21 ZINC000885385586 1137998136 /nfs/dbraw/zinc/99/81/36/1137998136.db2.gz OOTDGUNELDYQGZ-ROUUACIJSA-N 1 2 346.434 3.521 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c(F)c1OC ZINC000886059526 1138036745 /nfs/dbraw/zinc/03/67/45/1138036745.db2.gz GWPKCRFSAJJIEN-OAHLLOKOSA-N 1 2 347.434 3.788 20 0 EHADLO Cl/C=C/CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000045965357 1138041388 /nfs/dbraw/zinc/04/13/88/1138041388.db2.gz IIIYASLFLSIZIO-RMKNXTFCSA-N 1 2 348.903 3.767 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC2(CCCC2)C1 ZINC000890260739 1138043587 /nfs/dbraw/zinc/04/35/87/1138043587.db2.gz MOYCTSZTNKGAQQ-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000886328793 1138068039 /nfs/dbraw/zinc/06/80/39/1138068039.db2.gz QUEWEHNAPYGYSL-IYBDPMFKSA-N 1 2 341.480 3.896 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000886328793 1138068041 /nfs/dbraw/zinc/06/80/41/1138068041.db2.gz QUEWEHNAPYGYSL-IYBDPMFKSA-N 1 2 341.480 3.896 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000886438637 1138077773 /nfs/dbraw/zinc/07/77/73/1138077773.db2.gz DTTIOZKHYIEZBR-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000886438637 1138077775 /nfs/dbraw/zinc/07/77/75/1138077775.db2.gz DTTIOZKHYIEZBR-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)CCO1 ZINC000348383958 1138078855 /nfs/dbraw/zinc/07/88/55/1138078855.db2.gz UTRCQQOKIMYQLF-OCCSQVGLSA-N 1 2 329.366 3.594 20 0 EHADLO CCC(CC)c1cc(C[NH2+][C@@H](C)c2cncc(C(=O)OC)c2)on1 ZINC000886532500 1138091449 /nfs/dbraw/zinc/09/14/49/1138091449.db2.gz KEMHLUSLRBHNNM-LBPRGKRZSA-N 1 2 331.416 3.611 20 0 EHADLO CO[C@H]1CCC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000886584615 1138099291 /nfs/dbraw/zinc/09/92/91/1138099291.db2.gz SBMVIOORBXXSDX-IRXDYDNUSA-N 1 2 329.444 3.722 20 0 EHADLO Cc1cc(C)n(-c2ccc(C[N@H+](C)Cc3nccn3C(F)F)cc2)n1 ZINC000072766201 1138107777 /nfs/dbraw/zinc/10/77/77/1138107777.db2.gz ADIGCIVVHHOHLF-UHFFFAOYSA-N 1 2 345.397 3.713 20 0 EHADLO Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3nccn3C(F)F)cc2)n1 ZINC000072766201 1138107778 /nfs/dbraw/zinc/10/77/78/1138107778.db2.gz ADIGCIVVHHOHLF-UHFFFAOYSA-N 1 2 345.397 3.713 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000076984366 1138136271 /nfs/dbraw/zinc/13/62/71/1138136271.db2.gz GPPUZKSNFPYSGG-ZIAGYGMSSA-N 1 2 347.821 3.643 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000077750689 1138143055 /nfs/dbraw/zinc/14/30/55/1138143055.db2.gz LZJNKPDFNSUDAI-KRWDZBQOSA-N 1 2 340.471 3.846 20 0 EHADLO C[C@@H]1C[C@H]1[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080603204 1138163502 /nfs/dbraw/zinc/16/35/02/1138163502.db2.gz OZOJRTNGZSVDAO-KBRIMQKVSA-N 1 2 346.862 3.623 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080592205 1138163512 /nfs/dbraw/zinc/16/35/12/1138163512.db2.gz OZOJRTNGZSVDAO-XOKHGSTOSA-N 1 2 346.862 3.623 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914712 1138164877 /nfs/dbraw/zinc/16/48/77/1138164877.db2.gz PLCGSJRWFXQVIN-CHWSQXEVSA-N 1 2 349.837 3.572 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914712 1138164879 /nfs/dbraw/zinc/16/48/79/1138164879.db2.gz PLCGSJRWFXQVIN-CHWSQXEVSA-N 1 2 349.837 3.572 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799910 1138171366 /nfs/dbraw/zinc/17/13/66/1138171366.db2.gz VEBYYIBXYUZSKJ-DOTOQJQBSA-N 1 2 342.487 3.714 20 0 EHADLO COc1ccc(-c2nc(CSCCn3cc[nH+]c3)cs2)cc1 ZINC000090200038 1138210062 /nfs/dbraw/zinc/21/00/62/1138210062.db2.gz JYVLJTMPOBIUSH-UHFFFAOYSA-N 1 2 331.466 3.949 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccn1 ZINC000090912993 1138214183 /nfs/dbraw/zinc/21/41/83/1138214183.db2.gz ZKPOKIULWOGCAR-UWJYYQICSA-N 1 2 348.450 3.580 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000092538784 1138229492 /nfs/dbraw/zinc/22/94/92/1138229492.db2.gz YYGLPEIPHYQZMG-UHFFFAOYSA-N 1 2 348.796 3.802 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)s1 ZINC000093807713 1138241164 /nfs/dbraw/zinc/24/11/64/1138241164.db2.gz SLACPRVJHJQJGB-UHFFFAOYSA-N 1 2 340.452 3.920 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)s1 ZINC000093807713 1138241166 /nfs/dbraw/zinc/24/11/66/1138241166.db2.gz SLACPRVJHJQJGB-UHFFFAOYSA-N 1 2 340.452 3.920 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC001137239514 1138242080 /nfs/dbraw/zinc/24/20/80/1138242080.db2.gz YYDSIJGWZSYZOT-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC001137239514 1138242082 /nfs/dbraw/zinc/24/20/82/1138242082.db2.gz YYDSIJGWZSYZOT-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000093865520 1138242304 /nfs/dbraw/zinc/24/23/04/1138242304.db2.gz HZWYSWUXEJNYLY-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000093865520 1138242306 /nfs/dbraw/zinc/24/23/06/1138242306.db2.gz HZWYSWUXEJNYLY-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121847182 1138251401 /nfs/dbraw/zinc/25/14/01/1138251401.db2.gz SWKOTWQGBWSYJU-HNNXBMFYSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121847182 1138251402 /nfs/dbraw/zinc/25/14/02/1138251402.db2.gz SWKOTWQGBWSYJU-HNNXBMFYSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2noc(C3CCOCC3)n2)c1C ZINC000122284486 1138256681 /nfs/dbraw/zinc/25/66/81/1138256681.db2.gz GJTHPSDMOCEESK-GOSISDBHSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2noc(C3CCOCC3)n2)c1C ZINC000122284486 1138256682 /nfs/dbraw/zinc/25/66/82/1138256682.db2.gz GJTHPSDMOCEESK-GOSISDBHSA-N 1 2 341.455 3.918 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000123326734 1138268946 /nfs/dbraw/zinc/26/89/46/1138268946.db2.gz AWRCBPQHKDTISF-WFASDCNBSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC2(CCC2)C1 ZINC000123373243 1138269723 /nfs/dbraw/zinc/26/97/23/1138269723.db2.gz PYUDTTZTNMSEAO-MRVPVSSYSA-N 1 2 348.315 3.585 20 0 EHADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC2(CCC2)C1 ZINC000123373243 1138269724 /nfs/dbraw/zinc/26/97/24/1138269724.db2.gz PYUDTTZTNMSEAO-MRVPVSSYSA-N 1 2 348.315 3.585 20 0 EHADLO O=C1Nc2ccccc2C12CCC([NH2+]c1ccc3c(c1)CCN3)CC2 ZINC000333327600 1138277421 /nfs/dbraw/zinc/27/74/21/1138277421.db2.gz VOMDDETWLJICPI-UHFFFAOYSA-N 1 2 333.435 3.899 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000124117779 1138279715 /nfs/dbraw/zinc/27/97/15/1138279715.db2.gz OAFURZCOWBOUMM-MEBBXXQBSA-N 1 2 339.773 3.538 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000333370657 1138281983 /nfs/dbraw/zinc/28/19/83/1138281983.db2.gz WDEIIFODHTVZPB-IXDOHACOSA-N 1 2 346.519 3.914 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000124253183 1138282010 /nfs/dbraw/zinc/28/20/10/1138282010.db2.gz PUDQFFYHIKWARA-HOCLYGCPSA-N 1 2 343.496 3.937 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000124496008 1138287971 /nfs/dbraw/zinc/28/79/71/1138287971.db2.gz OEXBLQXEWCENMS-GOSISDBHSA-N 1 2 349.438 3.560 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2cccc(F)c2)cs1 ZINC000124665613 1138292219 /nfs/dbraw/zinc/29/22/19/1138292219.db2.gz QWDOWAMULNFSHV-UHFFFAOYSA-N 1 2 335.448 3.680 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124713881 1138293126 /nfs/dbraw/zinc/29/31/26/1138293126.db2.gz AYOMKLRYRVABRP-QAPCUYQASA-N 1 2 343.496 3.860 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124713227 1138293291 /nfs/dbraw/zinc/29/32/91/1138293291.db2.gz AYOMKLRYRVABRP-MAUKXSAKSA-N 1 2 343.496 3.860 20 0 EHADLO COc1ccc(COCc2cccc(NCc3c[nH+]cn3C)c2)cc1 ZINC000125630803 1138313290 /nfs/dbraw/zinc/31/32/90/1138313290.db2.gz IJBXDAWKRFOKFL-UHFFFAOYSA-N 1 2 337.423 3.758 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000125628380 1138313338 /nfs/dbraw/zinc/31/33/38/1138313338.db2.gz OSWKWLRMGMABTR-YQVWRLOYSA-N 1 2 325.456 3.877 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccnc2Cl)cc1OC(F)F ZINC000263800109 1138369289 /nfs/dbraw/zinc/36/92/89/1138369289.db2.gz PXWXUCJODNIWJC-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccnc2Cl)cc1OC(F)F ZINC000263800109 1138369290 /nfs/dbraw/zinc/36/92/90/1138369290.db2.gz PXWXUCJODNIWJC-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO CC(C)c1ncc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000129262373 1138407947 /nfs/dbraw/zinc/40/79/47/1138407947.db2.gz JNRSQWFNIVUYTD-UHFFFAOYSA-N 1 2 344.484 3.582 20 0 EHADLO CC(C)c1cc(N[C@H](C(N)=O)c2ccc(F)cc2)nc(C(C)C)[nH+]1 ZINC000129580338 1138414883 /nfs/dbraw/zinc/41/48/83/1138414883.db2.gz IASBNFDCDWLKBC-INIZCTEOSA-N 1 2 330.407 3.501 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C)o1 ZINC000264165397 1138432131 /nfs/dbraw/zinc/43/21/31/1138432131.db2.gz BRQUWBVVIQSSNM-CQSZACIVSA-N 1 2 328.412 3.542 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C/c2ccsc2)c1)[NH+]1CCOCC1 ZINC000264169272 1138433045 /nfs/dbraw/zinc/43/30/45/1138433045.db2.gz CFEFSVWCPIRXGE-NFAHFFEMSA-N 1 2 342.464 3.793 20 0 EHADLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000264225887 1138448418 /nfs/dbraw/zinc/44/84/18/1138448418.db2.gz HSCNHEJBGJJHAQ-INIZCTEOSA-N 1 2 340.452 3.577 20 0 EHADLO CC1(c2ccccc2)CC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000264295402 1138466254 /nfs/dbraw/zinc/46/62/54/1138466254.db2.gz ITWPIFSKLMVTIN-UHFFFAOYSA-N 1 2 345.446 3.782 20 0 EHADLO CC(C)[N@H+](Cc1nc(N(C)C)no1)Cc1cccc(C(F)(F)F)c1 ZINC000337125414 1138471766 /nfs/dbraw/zinc/47/17/66/1138471766.db2.gz DXRSMGRWIAQCJT-UHFFFAOYSA-N 1 2 342.365 3.565 20 0 EHADLO CC(C)[N@@H+](Cc1nc(N(C)C)no1)Cc1cccc(C(F)(F)F)c1 ZINC000337125414 1138471768 /nfs/dbraw/zinc/47/17/68/1138471768.db2.gz DXRSMGRWIAQCJT-UHFFFAOYSA-N 1 2 342.365 3.565 20 0 EHADLO CC1(C)CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000887580925 1138472247 /nfs/dbraw/zinc/47/22/47/1138472247.db2.gz JQGRTTSBGLFYLV-SFHVURJKSA-N 1 2 325.456 3.706 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1c(F)cccc1F ZINC000264343245 1138482705 /nfs/dbraw/zinc/48/27/05/1138482705.db2.gz ZZNKVMRTMGIUNF-ZDUSSCGKSA-N 1 2 348.397 3.612 20 0 EHADLO CC(C)([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000337185029 1138488685 /nfs/dbraw/zinc/48/86/85/1138488685.db2.gz OPTUYVMYIABYPO-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193467 1138491346 /nfs/dbraw/zinc/49/13/46/1138491346.db2.gz UPEAYGOXPDDAMK-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193467 1138491350 /nfs/dbraw/zinc/49/13/50/1138491350.db2.gz UPEAYGOXPDDAMK-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C(=C/[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205912 1138495140 /nfs/dbraw/zinc/49/51/40/1138495140.db2.gz LMNRGEQWRWEAAN-KQDNUWKFSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C/[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205912 1138495142 /nfs/dbraw/zinc/49/51/42/1138495142.db2.gz LMNRGEQWRWEAAN-KQDNUWKFSA-N 1 2 330.435 3.945 20 0 EHADLO C[C@@H]1CCC[C@@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000337213562 1138496675 /nfs/dbraw/zinc/49/66/75/1138496675.db2.gz CUJJVFUHCCUMBF-ZIAGYGMSSA-N 1 2 336.505 3.687 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)o1 ZINC000337259470 1138511591 /nfs/dbraw/zinc/51/15/91/1138511591.db2.gz PCRLJZOWTJACDW-LBPRGKRZSA-N 1 2 330.819 3.888 20 0 EHADLO Cn1ccc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000264500652 1138538201 /nfs/dbraw/zinc/53/82/01/1138538201.db2.gz IERCWPABDZBCOX-OAQYLSRUSA-N 1 2 333.435 3.624 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1nnc2n1CCCCC2 ZINC000264569416 1138562043 /nfs/dbraw/zinc/56/20/43/1138562043.db2.gz SMQWMSTXONZPCE-KBMXLJTQSA-N 1 2 328.460 3.962 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H](C)C1 ZINC000337429441 1138566895 /nfs/dbraw/zinc/56/68/95/1138566895.db2.gz UMNHBUZPDSUBNB-LSDHHAIUSA-N 1 2 344.434 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132284719 1138572275 /nfs/dbraw/zinc/57/22/75/1138572275.db2.gz JLBPVMWNQUIZRG-IAGOWNOFSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132284719 1138572277 /nfs/dbraw/zinc/57/22/77/1138572277.db2.gz JLBPVMWNQUIZRG-IAGOWNOFSA-N 1 2 347.462 3.933 20 0 EHADLO Cc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000337515583 1138591859 /nfs/dbraw/zinc/59/18/59/1138591859.db2.gz YSRMKKDVQACJNA-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337554480 1138603909 /nfs/dbraw/zinc/60/39/09/1138603909.db2.gz IPFSLIRETHKHOT-UHFFFAOYSA-N 1 2 348.450 3.867 20 0 EHADLO CC(C)(C)C1CCC(CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CC1 ZINC000337640806 1138630445 /nfs/dbraw/zinc/63/04/45/1138630445.db2.gz GEEPOMDHKLRIPI-NKELODKYSA-N 1 2 343.515 3.797 20 0 EHADLO CC(C)CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337653362 1138634521 /nfs/dbraw/zinc/63/45/21/1138634521.db2.gz NCJBIGXVBFBXLJ-MRXNPFEDSA-N 1 2 332.492 3.545 20 0 EHADLO O=C(c1cccc2ccccc21)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337671325 1138639919 /nfs/dbraw/zinc/63/99/19/1138639919.db2.gz WEMZAAAHMVJWLZ-HXUWFJFHSA-N 1 2 334.394 3.766 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000264863066 1138660197 /nfs/dbraw/zinc/66/01/97/1138660197.db2.gz MUCMWPOZYGSFTD-LBPRGKRZSA-N 1 2 334.366 3.571 20 0 EHADLO Cn1cc(-c2ccc(CNc3ccc(-n4cc[nH+]c4)cc3)s2)cn1 ZINC000337861199 1138684111 /nfs/dbraw/zinc/68/41/11/1138684111.db2.gz JADPDCIUZWJQKN-UHFFFAOYSA-N 1 2 335.436 3.946 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000134380342 1138684291 /nfs/dbraw/zinc/68/42/91/1138684291.db2.gz SYQCFUKPJNBWBD-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000337964422 1138710277 /nfs/dbraw/zinc/71/02/77/1138710277.db2.gz PBHRPUTYYALTJJ-HXUWFJFHSA-N 1 2 338.426 3.661 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061972 1138716038 /nfs/dbraw/zinc/71/60/38/1138716038.db2.gz SVQXGIVDKIXIMX-ZIAGYGMSSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061972 1138716040 /nfs/dbraw/zinc/71/60/40/1138716040.db2.gz SVQXGIVDKIXIMX-ZIAGYGMSSA-N 1 2 345.270 3.557 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]Cc2coc3ccccc23)cs1)C1CC1 ZINC000265160895 1138750091 /nfs/dbraw/zinc/75/00/91/1138750091.db2.gz FMJRILOTYRGQOT-UHFFFAOYSA-N 1 2 341.436 3.694 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338179921 1138777137 /nfs/dbraw/zinc/77/71/37/1138777137.db2.gz TWSAWVXGWVMUAV-SFHVURJKSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1scc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1C ZINC000338256053 1138803268 /nfs/dbraw/zinc/80/32/68/1138803268.db2.gz HVTWHBDAGKUPMW-MRXNPFEDSA-N 1 2 334.872 3.805 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000338258872 1138803708 /nfs/dbraw/zinc/80/37/08/1138803708.db2.gz RKCYDYRCZIENAW-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000338260506 1138804858 /nfs/dbraw/zinc/80/48/58/1138804858.db2.gz HRNCYIJOEQELNE-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000338276749 1138811991 /nfs/dbraw/zinc/81/19/91/1138811991.db2.gz AURDYXQTGIHWEV-GOSISDBHSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000338276749 1138811999 /nfs/dbraw/zinc/81/19/99/1138811999.db2.gz AURDYXQTGIHWEV-GOSISDBHSA-N 1 2 327.449 3.595 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC(C)C ZINC000338279099 1138813364 /nfs/dbraw/zinc/81/33/64/1138813364.db2.gz IZDHQEFJELIJLU-CQSZACIVSA-N 1 2 346.475 3.680 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000338311780 1138829119 /nfs/dbraw/zinc/82/91/19/1138829119.db2.gz CPZGNJRKMGTOSW-PBHICJAKSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000338311780 1138829124 /nfs/dbraw/zinc/82/91/24/1138829124.db2.gz CPZGNJRKMGTOSW-PBHICJAKSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000338325896 1138835432 /nfs/dbraw/zinc/83/54/32/1138835432.db2.gz FMNHUFJICRWHRE-SFHVURJKSA-N 1 2 336.439 3.872 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000338325896 1138835438 /nfs/dbraw/zinc/83/54/38/1138835438.db2.gz FMNHUFJICRWHRE-SFHVURJKSA-N 1 2 336.439 3.872 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000338341241 1138841187 /nfs/dbraw/zinc/84/11/87/1138841187.db2.gz FXXZVWLPHYPUEI-UHFFFAOYSA-N 1 2 344.377 3.558 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000338341241 1138841194 /nfs/dbraw/zinc/84/11/94/1138841194.db2.gz FXXZVWLPHYPUEI-UHFFFAOYSA-N 1 2 344.377 3.558 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccncc1F ZINC000338364687 1138857963 /nfs/dbraw/zinc/85/79/63/1138857963.db2.gz DYRZQIUIKDEYCF-CQSZACIVSA-N 1 2 336.414 3.746 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000338372669 1138865920 /nfs/dbraw/zinc/86/59/20/1138865920.db2.gz SSWNBINLTQBISY-KRWDZBQOSA-N 1 2 325.811 3.554 20 0 EHADLO COC(=O)CC1(C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000338372669 1138865932 /nfs/dbraw/zinc/86/59/32/1138865932.db2.gz SSWNBINLTQBISY-KRWDZBQOSA-N 1 2 325.811 3.554 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccc(C)n2)[C@H](C)C2CC2)c(OC)c1 ZINC000338374357 1138867805 /nfs/dbraw/zinc/86/78/05/1138867805.db2.gz WPQDUSVLEGTBCR-OAHLLOKOSA-N 1 2 341.455 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccc(C)n2)[C@H](C)C2CC2)c(OC)c1 ZINC000338374357 1138867812 /nfs/dbraw/zinc/86/78/12/1138867812.db2.gz WPQDUSVLEGTBCR-OAHLLOKOSA-N 1 2 341.455 3.603 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccccc2N(C)C)nc1C ZINC000348490837 1138939218 /nfs/dbraw/zinc/93/92/18/1138939218.db2.gz JHTQEGSNLZBCML-CYBMUJFWSA-N 1 2 347.484 3.545 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccncc1 ZINC000151147014 1139011965 /nfs/dbraw/zinc/01/19/65/1139011965.db2.gz IYCPSLJYDLRDNX-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccncc1 ZINC000151147014 1139011972 /nfs/dbraw/zinc/01/19/72/1139011972.db2.gz IYCPSLJYDLRDNX-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000151555177 1139042722 /nfs/dbraw/zinc/04/27/22/1139042722.db2.gz LCQQWYYEAUTTHF-IGCXYCKISA-N 1 2 348.397 3.515 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152890021 1139112720 /nfs/dbraw/zinc/11/27/20/1139112720.db2.gz SGTUAHWZQCWKQL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152890021 1139112721 /nfs/dbraw/zinc/11/27/21/1139112721.db2.gz SGTUAHWZQCWKQL-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000153129973 1139123838 /nfs/dbraw/zinc/12/38/38/1139123838.db2.gz RJJXPFLRKZHSTR-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO CCN(c1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1)C(C)C ZINC000826618398 1139189673 /nfs/dbraw/zinc/18/96/73/1139189673.db2.gz KCHFUMBLLBPLFF-GOSISDBHSA-N 1 2 347.409 3.838 20 0 EHADLO Cc1cccc2c1C[N@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)CC2 ZINC000429571925 1139318006 /nfs/dbraw/zinc/31/80/06/1139318006.db2.gz SQSDDUYRLUIQOR-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1cccc2c1C[N@@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)CC2 ZINC000429571925 1139318015 /nfs/dbraw/zinc/31/80/15/1139318015.db2.gz SQSDDUYRLUIQOR-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO CC(C)(NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000890247010 1139329580 /nfs/dbraw/zinc/32/95/80/1139329580.db2.gz RLGCXQHBUAWXQS-QGZVFWFLSA-N 1 2 326.444 3.502 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N(CC1CC1)C1CCC1 ZINC000890251273 1139330391 /nfs/dbraw/zinc/33/03/91/1139330391.db2.gz UIYLJOFYEUOVHV-LJQANCHMSA-N 1 2 338.455 3.599 20 0 EHADLO C[C@@H]1CC2(CCC2)CN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251613 1139330673 /nfs/dbraw/zinc/33/06/73/1139330673.db2.gz YRKJVBQEXGTWLI-AEFFLSMTSA-N 1 2 338.455 3.599 20 0 EHADLO COCc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000173901963 1139386172 /nfs/dbraw/zinc/38/61/72/1139386172.db2.gz XLVJFAQNCDBSKH-OAHLLOKOSA-N 1 2 337.423 3.658 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174188600 1139405768 /nfs/dbraw/zinc/40/57/68/1139405768.db2.gz WVZUMEHPQGXZHX-UHFFFAOYSA-N 1 2 328.378 3.770 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175259472 1139476641 /nfs/dbraw/zinc/47/66/41/1139476641.db2.gz UPDIMIFJNRTJRY-NWDGAFQWSA-N 1 2 335.498 3.851 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175266682 1139477421 /nfs/dbraw/zinc/47/74/21/1139477421.db2.gz UJUSKICIRHTKRU-QWHCGFSZSA-N 1 2 333.457 3.528 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC1CCC1 ZINC000176974458 1139590341 /nfs/dbraw/zinc/59/03/41/1139590341.db2.gz DMHHQVJFRYBLAX-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO CCc1sc(=O)n(Cc2[nH+]ccn2C(F)F)c1-c1ccccc1 ZINC000177061861 1139595047 /nfs/dbraw/zinc/59/50/47/1139595047.db2.gz MCDFZLPUAHGLNL-UHFFFAOYSA-N 1 2 335.379 3.779 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)c1 ZINC000177121187 1139598425 /nfs/dbraw/zinc/59/84/25/1139598425.db2.gz OFEFQWSEJDZRPP-IRXDYDNUSA-N 1 2 325.456 3.530 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000177517614 1139624688 /nfs/dbraw/zinc/62/46/88/1139624688.db2.gz UZWDGXCMMRQAKK-BLLLJJGKSA-N 1 2 349.887 3.982 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)n1 ZINC000177675205 1139633301 /nfs/dbraw/zinc/63/33/01/1139633301.db2.gz WXGCWPNWZBESGO-CQSZACIVSA-N 1 2 347.459 3.837 20 0 EHADLO CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177792295 1139641998 /nfs/dbraw/zinc/64/19/98/1139641998.db2.gz VOFZZROKJHUWHL-LJQANCHMSA-N 1 2 336.439 3.873 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ncc(Br)s1 ZINC000179207737 1139742082 /nfs/dbraw/zinc/74/20/82/1139742082.db2.gz ZNQXMYVPTGPCMV-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000179844081 1139787882 /nfs/dbraw/zinc/78/78/82/1139787882.db2.gz RPLVHSSCHVGYTI-JKSUJKDBSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(Br)c3cccnc23)no1 ZINC000179938866 1139794172 /nfs/dbraw/zinc/79/41/72/1139794172.db2.gz UVKJAMFTYMNRRD-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(Br)c3cccnc23)no1 ZINC000179938866 1139794177 /nfs/dbraw/zinc/79/41/77/1139794177.db2.gz UVKJAMFTYMNRRD-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(C)o1 ZINC000180459587 1139836455 /nfs/dbraw/zinc/83/64/55/1139836455.db2.gz BQGZIUWASCMNJH-INIZCTEOSA-N 1 2 348.468 3.839 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000181001585 1139877997 /nfs/dbraw/zinc/87/79/97/1139877997.db2.gz FJEWKGCCIUPFBZ-YVEFUNNKSA-N 1 2 331.847 3.877 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000181005507 1139878480 /nfs/dbraw/zinc/87/84/80/1139878480.db2.gz MGLOLUINGIPSOS-KBPBESRZSA-N 1 2 345.443 3.878 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000181005507 1139878488 /nfs/dbraw/zinc/87/84/88/1139878488.db2.gz MGLOLUINGIPSOS-KBPBESRZSA-N 1 2 345.443 3.878 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181119609 1139886458 /nfs/dbraw/zinc/88/64/58/1139886458.db2.gz CRYSIEWYCDBGBE-HOTGVXAUSA-N 1 2 336.439 3.663 20 0 EHADLO c1nc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)nn1-c1ccccc1 ZINC000181217725 1139893384 /nfs/dbraw/zinc/89/33/84/1139893384.db2.gz QQFQMNGEPVCTET-PXNSSMCTSA-N 1 2 348.450 3.525 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000181585197 1139917559 /nfs/dbraw/zinc/91/75/59/1139917559.db2.gz HPLSQJWFMVDAML-KRWDZBQOSA-N 1 2 343.377 3.984 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC000181704063 1139925974 /nfs/dbraw/zinc/92/59/74/1139925974.db2.gz JCQHIMTVJSQXKA-INIZCTEOSA-N 1 2 347.484 3.987 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000182014665 1139945769 /nfs/dbraw/zinc/94/57/69/1139945769.db2.gz DSKSYXYBXCMCKY-UHFFFAOYSA-N 1 2 342.464 3.552 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)c1ccccc1 ZINC000182014665 1139945774 /nfs/dbraw/zinc/94/57/74/1139945774.db2.gz DSKSYXYBXCMCKY-UHFFFAOYSA-N 1 2 342.464 3.552 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000284325159 1139949539 /nfs/dbraw/zinc/94/95/39/1139949539.db2.gz KIYJPNOSBRJNOC-AWEZNQCLSA-N 1 2 327.453 3.852 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1nccn1C ZINC000182624289 1139982924 /nfs/dbraw/zinc/98/29/24/1139982924.db2.gz AKBFHZWELRJHHY-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccccc3)co2)cc1 ZINC000183671299 1140052758 /nfs/dbraw/zinc/05/27/58/1140052758.db2.gz XTDVMKYGFCHMJP-IBGZPJMESA-N 1 2 338.407 3.564 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC12CCCCC2 ZINC000357438254 1140058153 /nfs/dbraw/zinc/05/81/53/1140058153.db2.gz SURVLBHPVPPAKW-KRWDZBQOSA-N 1 2 327.472 3.659 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000184461084 1140104051 /nfs/dbraw/zinc/10/40/51/1140104051.db2.gz QCXMPNWFEGBIJN-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000184461084 1140104054 /nfs/dbraw/zinc/10/40/54/1140104054.db2.gz QCXMPNWFEGBIJN-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000184549881 1140108567 /nfs/dbraw/zinc/10/85/67/1140108567.db2.gz XIYHWWDZVYTBMF-ZWNOBZJWSA-N 1 2 339.773 3.538 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccco1 ZINC000184590955 1140110462 /nfs/dbraw/zinc/11/04/62/1140110462.db2.gz HDMPJPAXMOUEBS-LBPRGKRZSA-N 1 2 343.210 3.502 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CC)Cc2cccc(F)c2)cs1 ZINC000184691739 1140115229 /nfs/dbraw/zinc/11/52/29/1140115229.db2.gz INZSVGDDGKFORE-ZDUSSCGKSA-N 1 2 349.475 3.544 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000184999556 1140130773 /nfs/dbraw/zinc/13/07/73/1140130773.db2.gz CFKYOIYLHZOOGX-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185930442 1140177830 /nfs/dbraw/zinc/17/78/30/1140177830.db2.gz BNGUCRYAMZQEJJ-HZPDHXFCSA-N 1 2 327.428 3.727 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@H]3CCCCc4ccccc43)n2)cc1 ZINC000186428335 1140203396 /nfs/dbraw/zinc/20/33/96/1140203396.db2.gz ZSVJCFMVKSZEFQ-IBGZPJMESA-N 1 2 348.450 3.941 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)s1 ZINC000186439213 1140203710 /nfs/dbraw/zinc/20/37/10/1140203710.db2.gz CDKVOIZEMHYPCX-CYBMUJFWSA-N 1 2 328.441 3.604 20 0 EHADLO COc1cc(C)c(NC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000186778110 1140221932 /nfs/dbraw/zinc/22/19/32/1140221932.db2.gz SRXKQSXRSJSLHL-UHFFFAOYSA-N 1 2 346.406 3.552 20 0 EHADLO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186832005 1140224187 /nfs/dbraw/zinc/22/41/87/1140224187.db2.gz NKFVOFJXEAKSQB-ZDUSSCGKSA-N 1 2 345.443 3.799 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cs1 ZINC000189190213 1140325930 /nfs/dbraw/zinc/32/59/30/1140325930.db2.gz UUGBDIJVNIWWLT-CYBMUJFWSA-N 1 2 344.459 3.940 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000189584044 1140353028 /nfs/dbraw/zinc/35/30/28/1140353028.db2.gz IVMONZQLJRNZRD-CQSZACIVSA-N 1 2 337.826 3.949 20 0 EHADLO CCOC(=O)N1CCC([NH2+]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190300006 1140398114 /nfs/dbraw/zinc/39/81/14/1140398114.db2.gz AENCLDYVFKRUGS-HNAYVOBHSA-N 1 2 343.471 3.708 20 0 EHADLO CCCc1nc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cs1 ZINC000190515264 1140408491 /nfs/dbraw/zinc/40/84/91/1140408491.db2.gz VAQRNSRVCRCLAK-UHFFFAOYSA-N 1 2 335.448 3.673 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1OC ZINC000191844573 1140489325 /nfs/dbraw/zinc/48/93/25/1140489325.db2.gz IDECWJSNLVSJTJ-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(CC)o1 ZINC000192254207 1140514807 /nfs/dbraw/zinc/51/48/07/1140514807.db2.gz XSSNBZSNBIXWGQ-ZHACJKMWSA-N 1 2 329.444 3.553 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC000192260999 1140516264 /nfs/dbraw/zinc/51/62/64/1140516264.db2.gz AIQVEKHMUHPSPR-UHFFFAOYSA-N 1 2 341.499 3.970 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccccc1C ZINC000192260022 1140516670 /nfs/dbraw/zinc/51/66/70/1140516670.db2.gz QZMIDYQWUGYLOI-UHFFFAOYSA-N 1 2 345.512 3.785 20 0 EHADLO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000192746845 1140549693 /nfs/dbraw/zinc/54/96/93/1140549693.db2.gz SLHHKHINXZCXSM-JKIFEVAISA-N 1 2 327.428 3.766 20 0 EHADLO CCn1ncnc1C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000193442240 1140575664 /nfs/dbraw/zinc/57/56/64/1140575664.db2.gz NJTJKAIOPQNLAS-UHFFFAOYSA-N 1 2 336.892 3.708 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000193519348 1140578516 /nfs/dbraw/zinc/57/85/16/1140578516.db2.gz YYINOEMIWGWNDC-KRWDZBQOSA-N 1 2 335.398 3.535 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000193497934 1140578641 /nfs/dbraw/zinc/57/86/41/1140578641.db2.gz LCGYACFDSLVTEY-IBGZPJMESA-N 1 2 329.419 3.540 20 0 EHADLO c1cc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cs1 ZINC000193713981 1140584908 /nfs/dbraw/zinc/58/49/08/1140584908.db2.gz JVUROJLERZHRBO-OAHLLOKOSA-N 1 2 343.477 3.936 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NCC(C)C)cc3)n2c1 ZINC000195099268 1140630864 /nfs/dbraw/zinc/63/08/64/1140630864.db2.gz ABEDKMIIPIQMDR-UHFFFAOYSA-N 1 2 336.439 3.641 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000266125755 1140644239 /nfs/dbraw/zinc/64/42/39/1140644239.db2.gz QAUCRVMLMJGYPO-INIZCTEOSA-N 1 2 349.438 3.512 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000266125755 1140644245 /nfs/dbraw/zinc/64/42/45/1140644245.db2.gz QAUCRVMLMJGYPO-INIZCTEOSA-N 1 2 349.438 3.512 20 0 EHADLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266716143 1140718157 /nfs/dbraw/zinc/71/81/57/1140718157.db2.gz GGXZIOCZBXCHMU-LLVKDONJSA-N 1 2 345.270 3.557 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000266730542 1140719433 /nfs/dbraw/zinc/71/94/33/1140719433.db2.gz KTWKWRRLSJMERI-WMZOPIPTSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1c1cccc(F)c1 ZINC000266925918 1140739021 /nfs/dbraw/zinc/73/90/21/1140739021.db2.gz KAWQUFBPCCRVKD-KUHUBIRLSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1c1cccc(F)c1 ZINC000266925918 1140739022 /nfs/dbraw/zinc/73/90/22/1140739022.db2.gz KAWQUFBPCCRVKD-KUHUBIRLSA-N 1 2 328.435 3.727 20 0 EHADLO CCOc1ccccc1Nc1nnc(SCc2c[nH+]cn2C)s1 ZINC000267163335 1140764254 /nfs/dbraw/zinc/76/42/54/1140764254.db2.gz JWMGTQQLDIPQOB-UHFFFAOYSA-N 1 2 347.469 3.706 20 0 EHADLO CCCCCc1ccc(C(=O)CCC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000267201840 1140767975 /nfs/dbraw/zinc/76/79/75/1140767975.db2.gz LPJHOLNBLALEOR-UHFFFAOYSA-N 1 2 341.455 3.730 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000267425150 1140790117 /nfs/dbraw/zinc/79/01/17/1140790117.db2.gz NBXHHTNWWNLFSO-LBPRGKRZSA-N 1 2 337.407 3.521 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000267425150 1140790123 /nfs/dbraw/zinc/79/01/23/1140790123.db2.gz NBXHHTNWWNLFSO-LBPRGKRZSA-N 1 2 337.407 3.521 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(Br)cc2)cs1 ZINC000267619072 1140812536 /nfs/dbraw/zinc/81/25/36/1140812536.db2.gz KGEJEAPUXPIZFL-JTQLQIEISA-N 1 2 341.274 3.903 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cs1 ZINC000267630870 1140814031 /nfs/dbraw/zinc/81/40/31/1140814031.db2.gz NTYRHQRVDDLCKS-LLVKDONJSA-N 1 2 342.411 3.784 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000267866879 1140844651 /nfs/dbraw/zinc/84/46/51/1140844651.db2.gz BZELPOZQUWENNQ-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000267866879 1140844659 /nfs/dbraw/zinc/84/46/59/1140844659.db2.gz BZELPOZQUWENNQ-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO CC(C)n1nccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000268760339 1140984647 /nfs/dbraw/zinc/98/46/47/1140984647.db2.gz LEPKSUHILZPYEM-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)s1 ZINC000268793887 1140993620 /nfs/dbraw/zinc/99/36/20/1140993620.db2.gz CWFXKEIVTMLTEF-LBPRGKRZSA-N 1 2 333.848 3.618 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000269097952 1141064338 /nfs/dbraw/zinc/06/43/38/1141064338.db2.gz SKUQJLIVCOMVEM-ZDUSSCGKSA-N 1 2 344.484 3.639 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269099388 1141065366 /nfs/dbraw/zinc/06/53/66/1141065366.db2.gz FRQHXYBRTVQEFC-SECBINFHSA-N 1 2 328.750 3.684 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000269467136 1141112092 /nfs/dbraw/zinc/11/20/92/1141112092.db2.gz ZGHKTNITJFJVKT-QWHCGFSZSA-N 1 2 331.485 3.831 20 0 EHADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2F)cc1 ZINC000270231598 1141194379 /nfs/dbraw/zinc/19/43/79/1141194379.db2.gz OSMLKLDABDURGX-GFCCVEGCSA-N 1 2 339.407 3.609 20 0 EHADLO CCCCc1noc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000270408811 1141219117 /nfs/dbraw/zinc/21/91/17/1141219117.db2.gz NAGAWZPJWGGTOL-UHFFFAOYSA-N 1 2 349.438 3.940 20 0 EHADLO O=C(CCC(F)(F)F)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270536619 1141237238 /nfs/dbraw/zinc/23/72/38/1141237238.db2.gz WKYTZMYREHWJEA-UHFFFAOYSA-N 1 2 335.329 3.883 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)CCCSCc2ccccc2)n1 ZINC000270588466 1141241702 /nfs/dbraw/zinc/24/17/02/1141241702.db2.gz SQCFSLLLTVVKEV-AWEZNQCLSA-N 1 2 335.473 3.532 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCSCc2ccccc2)n1 ZINC000270588466 1141241708 /nfs/dbraw/zinc/24/17/08/1141241708.db2.gz SQCFSLLLTVVKEV-AWEZNQCLSA-N 1 2 335.473 3.532 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)[nH]1 ZINC000270618214 1141246156 /nfs/dbraw/zinc/24/61/56/1141246156.db2.gz BPWRXOLUOAJQCN-GFCCVEGCSA-N 1 2 328.391 3.925 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000270876420 1141278048 /nfs/dbraw/zinc/27/80/48/1141278048.db2.gz CVDRVVZOKANEQW-BRWVUGGUSA-N 1 2 345.487 3.590 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cscn1 ZINC000271064180 1141302552 /nfs/dbraw/zinc/30/25/52/1141302552.db2.gz CSVXEPFDXWBPAG-YPMHNXCESA-N 1 2 335.860 3.643 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000271118194 1141310082 /nfs/dbraw/zinc/31/00/82/1141310082.db2.gz KIKWJWXIEILAFR-HKUYNNGSSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000271118194 1141310087 /nfs/dbraw/zinc/31/00/87/1141310087.db2.gz KIKWJWXIEILAFR-HKUYNNGSSA-N 1 2 344.405 3.757 20 0 EHADLO O=C(CCCC1CCCCC1)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001274561845 1141319762 /nfs/dbraw/zinc/31/97/62/1141319762.db2.gz CPZLYJVOCOMMAZ-BGYRXZFFSA-N 1 2 348.531 3.591 20 0 EHADLO O=C(CCCC1CCCCC1)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001274561845 1141319768 /nfs/dbraw/zinc/31/97/68/1141319768.db2.gz CPZLYJVOCOMMAZ-BGYRXZFFSA-N 1 2 348.531 3.591 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3c(F)cccc3Cl)c(C)n2n1 ZINC000271374093 1141353756 /nfs/dbraw/zinc/35/37/56/1141353756.db2.gz HCRIZIFNEJZNRX-LLVKDONJSA-N 1 2 332.810 3.989 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)(F)F)[nH]1 ZINC000271441834 1141368297 /nfs/dbraw/zinc/36/82/97/1141368297.db2.gz FGLOOJPJKJPSSW-ZJUUUORDSA-N 1 2 328.338 3.678 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1nc(C2CCCCC2)no1 ZINC000271625573 1141407495 /nfs/dbraw/zinc/40/74/95/1141407495.db2.gz DTPZYOULPOLPCH-CYBMUJFWSA-N 1 2 339.443 3.855 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271647639 1141411925 /nfs/dbraw/zinc/41/19/25/1141411925.db2.gz DNBDKTXAUXOPIT-QWHCGFSZSA-N 1 2 348.393 3.501 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccco1 ZINC000274292270 1141494265 /nfs/dbraw/zinc/49/42/65/1141494265.db2.gz HBPMKSGBNCBKEG-CQSZACIVSA-N 1 2 329.425 3.666 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000339139047 1141507238 /nfs/dbraw/zinc/50/72/38/1141507238.db2.gz BMIODTYLIZUNNC-CYBMUJFWSA-N 1 2 334.407 3.684 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000339139047 1141507243 /nfs/dbraw/zinc/50/72/43/1141507243.db2.gz BMIODTYLIZUNNC-CYBMUJFWSA-N 1 2 334.407 3.684 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000339201466 1141526445 /nfs/dbraw/zinc/52/64/45/1141526445.db2.gz RUXSYFPNEKVSHK-HIFRSBDPSA-N 1 2 331.847 3.648 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cn(C)nc2C(F)F)cc1 ZINC000274461543 1141535819 /nfs/dbraw/zinc/53/58/19/1141535819.db2.gz HNCGPFJIMCPMOB-OAHLLOKOSA-N 1 2 337.439 3.956 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cn(C)nc2C(F)F)cc1 ZINC000274461543 1141535825 /nfs/dbraw/zinc/53/58/25/1141535825.db2.gz HNCGPFJIMCPMOB-OAHLLOKOSA-N 1 2 337.439 3.956 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000348677258 1141565475 /nfs/dbraw/zinc/56/54/75/1141565475.db2.gz ULBNHBPIPYTSKZ-UHFFFAOYSA-N 1 2 348.337 3.722 20 0 EHADLO CC(C)[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccnc1 ZINC000348796303 1141580553 /nfs/dbraw/zinc/58/05/53/1141580553.db2.gz DIHXTJZLEDXISD-YRNRMSPPSA-N 1 2 340.471 3.899 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccnc(-c2ccccc2)c1 ZINC000348849132 1141596183 /nfs/dbraw/zinc/59/61/83/1141596183.db2.gz PJSQBIGEUOHBKO-UHFFFAOYSA-N 1 2 343.390 3.718 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348857942 1141597508 /nfs/dbraw/zinc/59/75/08/1141597508.db2.gz JNRAPUCOKBRQOZ-LJQANCHMSA-N 1 2 331.419 3.892 20 0 EHADLO CC1(C)Cc2cccc(C[N@@H+]3CCOc4cc(O)ccc4C3)c2O1 ZINC000348880456 1141603117 /nfs/dbraw/zinc/60/31/17/1141603117.db2.gz VKWNPXQFZYRPBR-UHFFFAOYSA-N 1 2 325.408 3.500 20 0 EHADLO CC1(C)Cc2cccc(C[N@H+]3CCOc4cc(O)ccc4C3)c2O1 ZINC000348880456 1141603119 /nfs/dbraw/zinc/60/31/19/1141603119.db2.gz VKWNPXQFZYRPBR-UHFFFAOYSA-N 1 2 325.408 3.500 20 0 EHADLO COC(=O)[C@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000037972640 213177271 /nfs/dbraw/zinc/17/72/71/213177271.db2.gz ADZSJJIQRLDFQM-OAHLLOKOSA-N 1 2 340.261 3.976 20 0 EHADLO Cc1nnc(SCc2cn3cc(Br)ccc3[nH+]2)s1 ZINC000048501762 213943086 /nfs/dbraw/zinc/94/30/86/213943086.db2.gz HKQOGPBWFFTXMX-UHFFFAOYSA-N 1 2 341.259 3.549 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC000078734959 217112914 /nfs/dbraw/zinc/11/29/14/217112914.db2.gz ZENHHWXHSBGPHK-OAHLLOKOSA-N 1 2 338.785 3.651 20 0 EHADLO CC(C)c1nc2[nH]ccc2c(NCc2ccc(C[S@@](C)=O)cc2)[nH+]1 ZINC000601163898 478701317 /nfs/dbraw/zinc/70/13/17/478701317.db2.gz SLJWPKWDWMHSGW-DEOSSOPVSA-N 1 2 342.468 3.572 20 0 EHADLO CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188633148 519646146 /nfs/dbraw/zinc/64/61/46/519646146.db2.gz UFQDVUYZKPMIPB-INIZCTEOSA-N 1 2 348.535 3.759 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(OC)c2)n1 ZINC000282129163 564146136 /nfs/dbraw/zinc/14/61/36/564146136.db2.gz JZLGNUWLSQHKHA-UYAOXDASSA-N 1 2 343.471 3.561 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(OC)c2)n1 ZINC000282129163 564146137 /nfs/dbraw/zinc/14/61/37/564146137.db2.gz JZLGNUWLSQHKHA-UYAOXDASSA-N 1 2 343.471 3.561 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413608 606173239 /nfs/dbraw/zinc/17/32/39/606173239.db2.gz SLUKPOHNLBUDSD-VXGBXAGGSA-N 1 2 340.431 3.564 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824606575 609138339 /nfs/dbraw/zinc/13/83/39/609138339.db2.gz QGMALTHKSUQKGO-SECBINFHSA-N 1 2 349.772 3.649 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658695 1032071360 /nfs/dbraw/zinc/07/13/60/1032071360.db2.gz RNQUNJVSDGSANL-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658695 1032071377 /nfs/dbraw/zinc/07/13/77/1032071377.db2.gz RNQUNJVSDGSANL-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO Cc1cn2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc2[nH+]1 ZINC000339272490 1014138476 /nfs/dbraw/zinc/13/84/76/1014138476.db2.gz VKFAMHGECBMHCT-UHFFFAOYSA-N 1 2 329.787 3.622 20 0 EHADLO COc1cccc(C([NH2+]Cc2ccnc(C)n2)c2cccc(OC)c2)c1 ZINC000339291170 1014169537 /nfs/dbraw/zinc/16/95/37/1014169537.db2.gz MZQXLYUMYCKTDD-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc(Cl)c1O ZINC000459415202 1032085984 /nfs/dbraw/zinc/08/59/84/1032085984.db2.gz BAWVFYOBMMCUCC-UHFFFAOYSA-N 1 2 345.830 3.919 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc(Cl)c1O ZINC000459415202 1032086000 /nfs/dbraw/zinc/08/60/00/1032086000.db2.gz BAWVFYOBMMCUCC-UHFFFAOYSA-N 1 2 345.830 3.919 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ncc(Br)cc1Br ZINC000482003948 1030156155 /nfs/dbraw/zinc/15/61/55/1030156155.db2.gz GUXRKINNSCJGBS-DTORHVGOSA-N 1 2 348.082 3.979 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncc(Br)cc1Br ZINC000482003948 1030156157 /nfs/dbraw/zinc/15/61/57/1030156157.db2.gz GUXRKINNSCJGBS-DTORHVGOSA-N 1 2 348.082 3.979 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000339363979 1014282503 /nfs/dbraw/zinc/28/25/03/1014282503.db2.gz UUUGNCWBZGWDQT-LJQANCHMSA-N 1 2 343.377 3.586 20 0 EHADLO O=C(Nc1nc(-c2ccccc2)co1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000339404913 1014363012 /nfs/dbraw/zinc/36/30/12/1014363012.db2.gz SFBBNNSUQHPOQU-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3cccc(C)c3Cl)[nH+]c12 ZINC000683116253 1014367663 /nfs/dbraw/zinc/36/76/63/1014367663.db2.gz OFMQITOQPRAHEF-UHFFFAOYSA-N 1 2 341.842 3.506 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000339434246 1014431733 /nfs/dbraw/zinc/43/17/33/1014431733.db2.gz RZRNTCQXDPFPQT-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(c3nc(C)no3)CC2)c1Cl ZINC001143372202 1014467061 /nfs/dbraw/zinc/46/70/61/1014467061.db2.gz CQRBWZGCSWBAHZ-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO Fc1ccc(-n2nccc2C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000339522697 1014687219 /nfs/dbraw/zinc/68/72/19/1014687219.db2.gz NLWVHNHSJTYSDU-UHFFFAOYSA-N 1 2 335.304 3.719 20 0 EHADLO O=C(Cc1ccccc1OC1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000654967536 1014691417 /nfs/dbraw/zinc/69/14/17/1014691417.db2.gz AYDZFNQCVCLWGK-UHFFFAOYSA-N 1 2 335.407 3.837 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Br)cc(F)c1O ZINC000187842283 1014719718 /nfs/dbraw/zinc/71/97/18/1014719718.db2.gz OOCCPDTVTWQMOX-ONGXEEELSA-N 1 2 346.240 3.902 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccns2)CC1 ZINC000889092634 1014764837 /nfs/dbraw/zinc/76/48/37/1014764837.db2.gz KTDXHGBPSVXGGB-HNNXBMFYSA-N 1 2 348.447 3.583 20 0 EHADLO COCc1cc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)no1 ZINC000459422326 1032103576 /nfs/dbraw/zinc/10/35/76/1032103576.db2.gz XTCNQLZTCITGGA-AWEZNQCLSA-N 1 2 327.211 3.905 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)cc2O1 ZINC000655020878 1014821811 /nfs/dbraw/zinc/82/18/11/1014821811.db2.gz SCRRGQSKUVQEDG-GFCCVEGCSA-N 1 2 329.400 3.515 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2O1 ZINC000655020878 1014821827 /nfs/dbraw/zinc/82/18/27/1014821827.db2.gz SCRRGQSKUVQEDG-GFCCVEGCSA-N 1 2 329.400 3.515 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459423180 1032104173 /nfs/dbraw/zinc/10/41/73/1032104173.db2.gz ZBUPEFNFLKAKQB-CQSZACIVSA-N 1 2 336.229 3.632 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1(C)C ZINC000655051622 1014881239 /nfs/dbraw/zinc/88/12/39/1014881239.db2.gz YVZZJIGNLFMIJC-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1(C)C ZINC000655051622 1014881255 /nfs/dbraw/zinc/88/12/55/1014881255.db2.gz YVZZJIGNLFMIJC-UHFFFAOYSA-N 1 2 349.887 3.630 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000620148649 1125485955 /nfs/dbraw/zinc/48/59/55/1125485955.db2.gz TZZRYYAGRHDZQG-UWVGGRQHSA-N 1 2 329.322 3.731 20 0 EHADLO O=C(Nc1ccc2oc3ccccc3c2c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547671010 1014947506 /nfs/dbraw/zinc/94/75/06/1014947506.db2.gz NLOKOKDIZDLUMY-AWEZNQCLSA-N 1 2 346.390 3.919 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C2CC2)c(C)c1 ZINC000579821197 1014984457 /nfs/dbraw/zinc/98/44/57/1014984457.db2.gz ZCRAGXIFGYDLAV-LPHOPBHVSA-N 1 2 340.471 3.681 20 0 EHADLO FC(F)Oc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001204424426 1015039489 /nfs/dbraw/zinc/03/94/89/1015039489.db2.gz QNXSJTKPXYCQRV-OAHLLOKOSA-N 1 2 346.368 3.593 20 0 EHADLO CCCn1c(C)nnc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000343737133 1032108880 /nfs/dbraw/zinc/10/88/80/1032108880.db2.gz MFKIUXRFYLEJCS-UHFFFAOYSA-N 1 2 338.377 3.794 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)Cc2scnc2C)cn1 ZINC000430240585 1015190014 /nfs/dbraw/zinc/19/00/14/1015190014.db2.gz DIOMUAYOYZSDKZ-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)Cc2scnc2C)cn1 ZINC000430240585 1015190023 /nfs/dbraw/zinc/19/00/23/1015190023.db2.gz DIOMUAYOYZSDKZ-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)NCC[NH+]1Cc2ccccc2C1 ZINC000068256120 1015288697 /nfs/dbraw/zinc/28/86/97/1015288697.db2.gz VVHROBYUJPCWTR-UHFFFAOYSA-N 1 2 346.883 3.564 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H](C2CCC2)C1 ZINC000620205326 1125500340 /nfs/dbraw/zinc/50/03/40/1125500340.db2.gz ZHNJKSDPNBOYEC-RBUKOAKNSA-N 1 2 337.467 3.970 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC001204428326 1015328735 /nfs/dbraw/zinc/32/87/35/1015328735.db2.gz HVYLITZWDMHTIN-FZMZJTMJSA-N 1 2 333.350 3.605 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC001204428326 1015328743 /nfs/dbraw/zinc/32/87/43/1015328743.db2.gz HVYLITZWDMHTIN-FZMZJTMJSA-N 1 2 333.350 3.605 20 0 EHADLO Cc1sc([C@@H](C)[NH2+]Cc2cnnn2C)nc1-c1ccc(Cl)cc1 ZINC000154286988 1015344706 /nfs/dbraw/zinc/34/47/06/1015344706.db2.gz YNBXHRWDRJFBIG-SNVBAGLBSA-N 1 2 347.875 3.751 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1OC ZINC000179427438 1015384426 /nfs/dbraw/zinc/38/44/26/1015384426.db2.gz SLUNLRAMXYNKEC-FQEVSTJZSA-N 1 2 345.414 3.807 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1OC ZINC000179427438 1015384438 /nfs/dbraw/zinc/38/44/38/1015384438.db2.gz SLUNLRAMXYNKEC-FQEVSTJZSA-N 1 2 345.414 3.807 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(CCC(F)(F)F)c1)[NH+]1CCSCC1 ZINC000153503586 1125505864 /nfs/dbraw/zinc/50/58/64/1125505864.db2.gz IYGZFAVYXUMQAB-LBPRGKRZSA-N 1 2 346.418 3.557 20 0 EHADLO CC(C)Cn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000154503916 1015494367 /nfs/dbraw/zinc/49/43/67/1015494367.db2.gz UBAKHDOTDZRULJ-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO Cc1nc(N2CCO[C@@H](C(F)(F)F)C2)cc(C2CCCCC2)[nH+]1 ZINC001167085798 1015494476 /nfs/dbraw/zinc/49/44/76/1015494476.db2.gz STZLXIMXTFZWKD-CQSZACIVSA-N 1 2 329.366 3.600 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339703700 1015566628 /nfs/dbraw/zinc/56/66/28/1015566628.db2.gz VBGUUXKUHSKJBR-QGZVFWFLSA-N 1 2 343.496 3.933 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047047 1032120152 /nfs/dbraw/zinc/12/01/52/1032120152.db2.gz MQAJNNCJBMDHFW-IZHWHUGBSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047047 1032120158 /nfs/dbraw/zinc/12/01/58/1032120158.db2.gz MQAJNNCJBMDHFW-IZHWHUGBSA-N 1 2 345.512 3.929 20 0 EHADLO O=C(NCC1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339740284 1015627707 /nfs/dbraw/zinc/62/77/07/1015627707.db2.gz KNFMAOMAONEWNV-UHFFFAOYSA-N 1 2 336.439 3.914 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000339761089 1015658381 /nfs/dbraw/zinc/65/83/81/1015658381.db2.gz KRAMGIMABOLBNY-CYBMUJFWSA-N 1 2 341.361 3.647 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825647 1015709931 /nfs/dbraw/zinc/70/99/31/1015709931.db2.gz WTMVVRYJUDDHSB-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825647 1015709933 /nfs/dbraw/zinc/70/99/33/1015709933.db2.gz WTMVVRYJUDDHSB-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000339864274 1015785341 /nfs/dbraw/zinc/78/53/41/1015785341.db2.gz BQVKKUHZPFATKX-CYBMUJFWSA-N 1 2 341.904 3.690 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000339864274 1015785342 /nfs/dbraw/zinc/78/53/42/1015785342.db2.gz BQVKKUHZPFATKX-CYBMUJFWSA-N 1 2 341.904 3.690 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154755479 1015799558 /nfs/dbraw/zinc/79/95/58/1015799558.db2.gz SFAHXYVWQFPXAL-CYBMUJFWSA-N 1 2 337.876 3.566 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000547751955 1015831319 /nfs/dbraw/zinc/83/13/19/1015831319.db2.gz YWGAOSNEABSSGZ-SJLPKXTDSA-N 1 2 339.439 3.592 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000154831195 1015836169 /nfs/dbraw/zinc/83/61/69/1015836169.db2.gz WRJLHMLYPZRYJA-UHFFFAOYSA-N 1 2 325.456 3.706 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)sc2C1 ZINC000547758263 1015875594 /nfs/dbraw/zinc/87/55/94/1015875594.db2.gz SCPSIFLLWKRVRK-RYUDHWBXSA-N 1 2 344.484 3.830 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000154898729 1015916245 /nfs/dbraw/zinc/91/62/45/1015916245.db2.gz SGJTWBDXGCJTTJ-WOJBJXKFSA-N 1 2 333.435 3.689 20 0 EHADLO O=C1CN(c2cc(-c3ccccc3)cc[nH+]2)CCN1Cc1ccccc1 ZINC001167103520 1015935899 /nfs/dbraw/zinc/93/58/99/1015935899.db2.gz DNNBDUWLRROTLZ-UHFFFAOYSA-N 1 2 343.430 3.597 20 0 EHADLO O=C([C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1)N1CCCCC1 ZINC000079309823 1015962080 /nfs/dbraw/zinc/96/20/80/1015962080.db2.gz FKYCZTAYLPJINV-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(C2CCCCC2)n1 ZINC000183115226 1032134226 /nfs/dbraw/zinc/13/42/26/1032134226.db2.gz HEVYHKLEQBZTGP-SFHVURJKSA-N 1 2 329.444 3.634 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(C2CCCCC2)n1 ZINC000183115226 1032134233 /nfs/dbraw/zinc/13/42/33/1032134233.db2.gz HEVYHKLEQBZTGP-SFHVURJKSA-N 1 2 329.444 3.634 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528341021 1032136081 /nfs/dbraw/zinc/13/60/81/1032136081.db2.gz KXFUGWQPWGFVSJ-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180760346 1016038510 /nfs/dbraw/zinc/03/85/10/1016038510.db2.gz LHKASZVFAIFTCR-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001167109857 1016057396 /nfs/dbraw/zinc/05/73/96/1016057396.db2.gz DCRGUBMNMDWQKD-CQSZACIVSA-N 1 2 326.444 3.813 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2sccc2F)c1)[NH+]1CCOCC1 ZINC000339960875 1016076316 /nfs/dbraw/zinc/07/63/16/1016076316.db2.gz CKKPMKXXISIHAN-LBPRGKRZSA-N 1 2 334.416 3.533 20 0 EHADLO OCC1CCN(c2ccc(NCc3cc(F)cc(Cl)c3)[nH+]c2)CC1 ZINC000275131066 1016086020 /nfs/dbraw/zinc/08/60/20/1016086020.db2.gz PETDQPVTNKPMKN-UHFFFAOYSA-N 1 2 349.837 3.695 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047576145 1016184978 /nfs/dbraw/zinc/18/49/78/1016184978.db2.gz HUHIIZVNVVNCOJ-INIZCTEOSA-N 1 2 332.492 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCCCCC1 ZINC000025407366 1016279942 /nfs/dbraw/zinc/27/99/42/1016279942.db2.gz APXPXBFYEANLFO-LBPRGKRZSA-N 1 2 325.250 3.652 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374930 999413238 /nfs/dbraw/zinc/41/32/38/999413238.db2.gz VDHCHCNUPMOPHF-CABCVRRESA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374930 999413240 /nfs/dbraw/zinc/41/32/40/999413240.db2.gz VDHCHCNUPMOPHF-CABCVRRESA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374930 999413244 /nfs/dbraw/zinc/41/32/44/999413244.db2.gz VDHCHCNUPMOPHF-CABCVRRESA-N 1 2 336.501 3.533 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374930 999413248 /nfs/dbraw/zinc/41/32/48/999413248.db2.gz VDHCHCNUPMOPHF-CABCVRRESA-N 1 2 336.501 3.533 20 0 EHADLO Cc1cc(N2CCO[C@@H](COc3ccccc3)C2)[nH+]c2ccccc12 ZINC001167154880 1016367682 /nfs/dbraw/zinc/36/76/82/1016367682.db2.gz FCGKJQGJZIDCIW-GOSISDBHSA-N 1 2 334.419 3.827 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155278913 1016410044 /nfs/dbraw/zinc/41/00/44/1016410044.db2.gz SEUGKGYLTBDCPW-SECBINFHSA-N 1 2 333.304 3.910 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155278913 1016410055 /nfs/dbraw/zinc/41/00/55/1016410055.db2.gz SEUGKGYLTBDCPW-SECBINFHSA-N 1 2 333.304 3.910 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588168935 1016424263 /nfs/dbraw/zinc/42/42/63/1016424263.db2.gz CRGVYKLHWRBNDO-UHFFFAOYSA-N 1 2 326.440 3.601 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588168935 1016424268 /nfs/dbraw/zinc/42/42/68/1016424268.db2.gz CRGVYKLHWRBNDO-UHFFFAOYSA-N 1 2 326.440 3.601 20 0 EHADLO COc1cccc2c1[C@@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000431832743 1016458279 /nfs/dbraw/zinc/45/82/79/1016458279.db2.gz HUGQYRPHNKLUCD-KRWDZBQOSA-N 1 2 333.391 3.549 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000340201702 1016698700 /nfs/dbraw/zinc/69/87/00/1016698700.db2.gz WNMDSGVHAIBDKE-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO CC(=O)Nc1ccccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001167235695 1016711062 /nfs/dbraw/zinc/71/10/62/1016711062.db2.gz VLRAEINAASPKLD-MRXNPFEDSA-N 1 2 348.406 3.529 20 0 EHADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000705995522 1016800911 /nfs/dbraw/zinc/80/09/11/1016800911.db2.gz AZUJFUPZIHXNTG-WBMJQRKESA-N 1 2 343.814 3.995 20 0 EHADLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc2[nH+]ccn21 ZINC000178943411 1016826002 /nfs/dbraw/zinc/82/60/02/1016826002.db2.gz GKLATTXDPOGPAI-JLHYYAGUSA-N 1 2 348.431 3.667 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000892697082 1016844809 /nfs/dbraw/zinc/84/48/09/1016844809.db2.gz ROOVNBFQOTUNMU-HOTGVXAUSA-N 1 2 349.427 3.684 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000892697084 1016843923 /nfs/dbraw/zinc/84/39/23/1016843923.db2.gz ROOVNBFQOTUNMU-JKSUJKDBSA-N 1 2 349.427 3.684 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)C2 ZINC000579904645 1016866671 /nfs/dbraw/zinc/86/66/71/1016866671.db2.gz IFZAABYQYGPDHX-JJXSEGSLSA-N 1 2 331.504 3.827 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)CC2 ZINC000579904645 1016866691 /nfs/dbraw/zinc/86/66/91/1016866691.db2.gz IFZAABYQYGPDHX-JJXSEGSLSA-N 1 2 331.504 3.827 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000272704762 1016873486 /nfs/dbraw/zinc/87/34/86/1016873486.db2.gz BMIHMTYEEQMWSN-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO Cc1cccc(-c2noc([C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)c1C ZINC000706024301 1016893199 /nfs/dbraw/zinc/89/31/99/1016893199.db2.gz PIIHLKSXYHKVLU-QAPCUYQASA-N 1 2 337.423 3.959 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000155420108 1016924761 /nfs/dbraw/zinc/92/47/61/1016924761.db2.gz LFVIGZVHPXQCRQ-INIZCTEOSA-N 1 2 333.476 3.518 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376630067 1016958267 /nfs/dbraw/zinc/95/82/67/1016958267.db2.gz YWDPUNBXVXNIBW-MRXNPFEDSA-N 1 2 325.456 3.687 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376630067 1016958283 /nfs/dbraw/zinc/95/82/83/1016958283.db2.gz YWDPUNBXVXNIBW-MRXNPFEDSA-N 1 2 325.456 3.687 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccc(I)cc2)C[C@@H](C)S1 ZINC000088185815 1017022721 /nfs/dbraw/zinc/02/27/21/1017022721.db2.gz QSDUSKMXZBGXFT-GHMZBOCLSA-N 1 2 347.265 3.617 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000376740385 1017039911 /nfs/dbraw/zinc/03/99/11/1017039911.db2.gz UJURZLGKKQVDHI-CQSZACIVSA-N 1 2 334.851 3.690 20 0 EHADLO CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000120999064 1017069463 /nfs/dbraw/zinc/06/94/63/1017069463.db2.gz FTCGKFMWSLNZPE-UHFFFAOYSA-N 1 2 337.467 3.954 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459471989 1032185317 /nfs/dbraw/zinc/18/53/17/1032185317.db2.gz OJCQIWDIGVAGFB-UHFFFAOYSA-N 1 2 336.229 3.843 20 0 EHADLO CCCCOc1ccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc1 ZINC000582270860 1032202884 /nfs/dbraw/zinc/20/28/84/1032202884.db2.gz XYQJVLVCPYSQSS-UHFFFAOYSA-N 1 2 346.427 3.665 20 0 EHADLO Brc1ccc2[nH+]ccn2c1NC1(c2ccccn2)CC1 ZINC001168156304 1032223006 /nfs/dbraw/zinc/22/30/06/1032223006.db2.gz UQZADABGDJTQDA-UHFFFAOYSA-N 1 2 329.201 3.593 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000080947765 1032223855 /nfs/dbraw/zinc/22/38/55/1032223855.db2.gz CMVPUKYFMCRXQS-NSHDSACASA-N 1 2 326.400 3.765 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)[nH+]1 ZINC000080946455 1032223932 /nfs/dbraw/zinc/22/39/32/1032223932.db2.gz HZNMYWHKFKBVAV-LLVKDONJSA-N 1 2 335.411 3.788 20 0 EHADLO Cc1sc2nc(C[N@H+](C)Cc3cccc(C)c3)nc(N)c2c1C ZINC000321080433 1032227309 /nfs/dbraw/zinc/22/73/09/1032227309.db2.gz BNRNCDAENGYILB-UHFFFAOYSA-N 1 2 326.469 3.831 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)Cc3cccc(C)c3)nc(N)c2c1C ZINC000321080433 1032227324 /nfs/dbraw/zinc/22/73/24/1032227324.db2.gz BNRNCDAENGYILB-UHFFFAOYSA-N 1 2 326.469 3.831 20 0 EHADLO Clc1ccc2c(c1)[C@@H](N1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000343757669 1032229515 /nfs/dbraw/zinc/22/95/15/1032229515.db2.gz FXLKOPNAGIKMKT-IBGZPJMESA-N 1 2 327.859 3.540 20 0 EHADLO CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000081071407 1032259596 /nfs/dbraw/zinc/25/95/96/1032259596.db2.gz SICDOJAXMLFLLA-CVEARBPZSA-N 1 2 342.443 3.614 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCC23CC3)c1)[NH+]1CCOCC1 ZINC000528421943 1032273873 /nfs/dbraw/zinc/27/38/73/1032273873.db2.gz HAEDIJCCJZWHOA-QAPCUYQASA-N 1 2 328.456 3.599 20 0 EHADLO Cn1c2ccc(F)cc2[nH+]c1NCc1cn2cc(Cl)ccc2n1 ZINC000184255304 1032277935 /nfs/dbraw/zinc/27/79/35/1032277935.db2.gz DYWWEKBIBCVHMV-UHFFFAOYSA-N 1 2 329.766 3.626 20 0 EHADLO COc1cc(OC)cc(N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000459584804 1032284685 /nfs/dbraw/zinc/28/46/85/1032284685.db2.gz RSMLMSXPIOVNAR-UHFFFAOYSA-N 1 2 329.400 3.692 20 0 EHADLO CN(C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)c1nccs1 ZINC000459584509 1032284813 /nfs/dbraw/zinc/28/48/13/1032284813.db2.gz ULFOCTCSOGBORH-KRWDZBQOSA-N 1 2 341.480 3.723 20 0 EHADLO CN(C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)c1nccs1 ZINC000459584509 1032284820 /nfs/dbraw/zinc/28/48/20/1032284820.db2.gz ULFOCTCSOGBORH-KRWDZBQOSA-N 1 2 341.480 3.723 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccco2)cc1 ZINC000459563376 1032290467 /nfs/dbraw/zinc/29/04/67/1032290467.db2.gz PYYWYIGXKAACTE-LJQANCHMSA-N 1 2 335.407 3.835 20 0 EHADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459571701 1032297380 /nfs/dbraw/zinc/29/73/80/1032297380.db2.gz SGXOBQIGDRGKJV-QLJPJBMISA-N 1 2 334.213 3.767 20 0 EHADLO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000184610859 1032309536 /nfs/dbraw/zinc/30/95/36/1032309536.db2.gz PNYWDSCOICYHOT-SECBINFHSA-N 1 2 343.736 3.756 20 0 EHADLO COCC1(C)C[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459622412 1032335373 /nfs/dbraw/zinc/33/53/73/1032335373.db2.gz NUPQMTCZEPXMJM-UHFFFAOYSA-N 1 2 346.858 3.782 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([S@](C)=O)cc1 ZINC000278750706 1032342276 /nfs/dbraw/zinc/34/22/76/1032342276.db2.gz WHILTLLECDZYED-CLTRCRFRSA-N 1 2 348.415 3.750 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000538438311 1032364819 /nfs/dbraw/zinc/36/48/19/1032364819.db2.gz YUEZCJROKSNZGL-QGZVFWFLSA-N 1 2 326.444 3.704 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(OC2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000081808436 1032368235 /nfs/dbraw/zinc/36/82/35/1032368235.db2.gz BWDAUUKPHQPDGN-INIZCTEOSA-N 1 2 341.455 3.661 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000449257962 1032368163 /nfs/dbraw/zinc/36/81/63/1032368163.db2.gz NORZPQBQEZRMNS-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000459663926 1032390915 /nfs/dbraw/zinc/39/09/15/1032390915.db2.gz GVSSMHZOQCMGNE-CYBMUJFWSA-N 1 2 331.485 3.910 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000729600486 1032413534 /nfs/dbraw/zinc/41/35/34/1032413534.db2.gz RGLOCFCECQFRKX-AWEZNQCLSA-N 1 2 332.473 3.704 20 0 EHADLO OC[C@@]1([NH2+]Cc2cc(Cl)sc2Cl)CCOc2ccccc21 ZINC000449299898 1032416945 /nfs/dbraw/zinc/41/69/45/1032416945.db2.gz BPYGFRGVVXBMCC-HNNXBMFYSA-N 1 2 344.263 3.815 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1cccc2ccccc21)c1nccs1 ZINC000118848084 1032424125 /nfs/dbraw/zinc/42/41/25/1032424125.db2.gz JIHZXNAHBFHWCC-UHFFFAOYSA-N 1 2 325.437 3.760 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536913243 1032424848 /nfs/dbraw/zinc/42/48/48/1032424848.db2.gz BHRMXQJYBNYKHN-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536913243 1032424859 /nfs/dbraw/zinc/42/48/59/1032424859.db2.gz BHRMXQJYBNYKHN-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485140 1033366120 /nfs/dbraw/zinc/36/61/20/1033366120.db2.gz PWSUCBMMIQAMLI-QWHCGFSZSA-N 1 2 328.551 3.638 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485140 1033366138 /nfs/dbraw/zinc/36/61/38/1033366138.db2.gz PWSUCBMMIQAMLI-QWHCGFSZSA-N 1 2 328.551 3.638 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000459762934 1032445296 /nfs/dbraw/zinc/44/52/96/1032445296.db2.gz LWTFVJLFGZLOIW-OAHLLOKOSA-N 1 2 339.414 3.863 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000459762934 1032445302 /nfs/dbraw/zinc/44/53/02/1032445302.db2.gz LWTFVJLFGZLOIW-OAHLLOKOSA-N 1 2 339.414 3.863 20 0 EHADLO CC1CC(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC000084738333 1032448855 /nfs/dbraw/zinc/44/88/55/1032448855.db2.gz MOMURPMKMKNHEG-UHFFFAOYSA-N 1 2 341.480 3.686 20 0 EHADLO CC1CC(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000084738333 1032448860 /nfs/dbraw/zinc/44/88/60/1032448860.db2.gz MOMURPMKMKNHEG-UHFFFAOYSA-N 1 2 341.480 3.686 20 0 EHADLO COCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000528576286 1032455353 /nfs/dbraw/zinc/45/53/53/1032455353.db2.gz MHVGZLFHCCJUMP-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO Cc1[nH+]c(NCc2cccc3c2OC(C)(C)C3)ccc1-c1cnn(C)c1 ZINC000449345581 1032460108 /nfs/dbraw/zinc/46/01/08/1032460108.db2.gz ITLQJQJLUBWSCK-UHFFFAOYSA-N 1 2 348.450 3.538 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000118967473 1032481658 /nfs/dbraw/zinc/48/16/58/1032481658.db2.gz ICZDHRHYXNEWTQ-UHFFFAOYSA-N 1 2 348.878 3.700 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccc(S(C)(=O)=O)o2)C(C)(C)C)cc1 ZINC000528595373 1032499246 /nfs/dbraw/zinc/49/92/46/1032499246.db2.gz VYDQXTZLKFBANW-UHFFFAOYSA-N 1 2 335.469 3.792 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccc(S(C)(=O)=O)o2)C(C)(C)C)cc1 ZINC000528595373 1032499255 /nfs/dbraw/zinc/49/92/55/1032499255.db2.gz VYDQXTZLKFBANW-UHFFFAOYSA-N 1 2 335.469 3.792 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449405018 1032528741 /nfs/dbraw/zinc/52/87/41/1032528741.db2.gz HQAVACSKBUPYMT-CYBMUJFWSA-N 1 2 345.466 3.593 20 0 EHADLO FC(F)Oc1ccc2ccccc2c1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449406457 1032529074 /nfs/dbraw/zinc/52/90/74/1032529074.db2.gz XHHYAUIMBJBHPC-UHFFFAOYSA-N 1 2 344.365 3.727 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426085 1032542630 /nfs/dbraw/zinc/54/26/30/1032542630.db2.gz QRLFHMFQVPRMBZ-MJGOQNOKSA-N 1 2 349.833 3.649 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426085 1032542638 /nfs/dbraw/zinc/54/26/38/1032542638.db2.gz QRLFHMFQVPRMBZ-MJGOQNOKSA-N 1 2 349.833 3.649 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1c(F)cccc1Cl ZINC000537178158 1032548580 /nfs/dbraw/zinc/54/85/80/1032548580.db2.gz RHYSRKYWQWOSMW-UPJWGTAASA-N 1 2 326.843 3.919 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457386 1032575190 /nfs/dbraw/zinc/57/51/90/1032575190.db2.gz GGABNSLCNIBBMD-QWRGUYRKSA-N 1 2 342.390 3.763 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457386 1032575198 /nfs/dbraw/zinc/57/51/98/1032575198.db2.gz GGABNSLCNIBBMD-QWRGUYRKSA-N 1 2 342.390 3.763 20 0 EHADLO CC(C)([NH2+]Cc1ccc(C(F)(F)F)s1)c1nnc2n1CCCC2 ZINC000449458490 1032575324 /nfs/dbraw/zinc/57/53/24/1032575324.db2.gz IPOBQGNVTDALPA-UHFFFAOYSA-N 1 2 344.406 3.720 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@@]1(C)CO ZINC000668736807 1032587738 /nfs/dbraw/zinc/58/77/38/1032587738.db2.gz HHIDMPFTDCFHQQ-UFBFGSQYSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@@]1(C)CO ZINC000668736807 1032587749 /nfs/dbraw/zinc/58/77/49/1032587749.db2.gz HHIDMPFTDCFHQQ-UFBFGSQYSA-N 1 2 338.698 3.614 20 0 EHADLO CC(C)([NH2+]Cc1cscc1C(F)(F)F)c1nnc2n1CCCC2 ZINC000449463339 1032613893 /nfs/dbraw/zinc/61/38/93/1032613893.db2.gz WAKPYCBGMAAKOT-UHFFFAOYSA-N 1 2 344.406 3.720 20 0 EHADLO COC(=O)c1c(CC(C)C)csc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593027237 1032632909 /nfs/dbraw/zinc/63/29/09/1032632909.db2.gz RVYLVFNXXZOEQI-GFCCVEGCSA-N 1 2 349.456 3.520 20 0 EHADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)sc1Br ZINC000537322445 1032629998 /nfs/dbraw/zinc/62/99/98/1032629998.db2.gz FGQBKNDIRIVDRM-UHFFFAOYSA-N 1 2 326.263 3.892 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3[C@H](C)CCC3(C)C)cn2c1 ZINC000597752992 1032648618 /nfs/dbraw/zinc/64/86/18/1032648618.db2.gz LGWPCTMVVVRWOR-CQSZACIVSA-N 1 2 331.485 3.665 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611865544 1032658545 /nfs/dbraw/zinc/65/85/45/1032658545.db2.gz JDYXBJHHMVMSMR-WRFANHODSA-N 1 2 345.874 3.828 20 0 EHADLO O=C(Nc1cc(-c2ccccc2)on1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081737380 1032662857 /nfs/dbraw/zinc/66/28/57/1032662857.db2.gz NEOUYIHKAOKGFE-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C1 ZINC000188313125 1017122013 /nfs/dbraw/zinc/12/20/13/1017122013.db2.gz INBBBSMTUASNES-HNAYVOBHSA-N 1 2 341.455 3.697 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000606449215 1032690209 /nfs/dbraw/zinc/69/02/09/1032690209.db2.gz QHZUYNKQAFKNRV-JXXFODFXSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000606449215 1032690216 /nfs/dbraw/zinc/69/02/16/1032690216.db2.gz QHZUYNKQAFKNRV-JXXFODFXSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450261 1032690434 /nfs/dbraw/zinc/69/04/34/1032690434.db2.gz TYIMNGGQNSASDX-CLCXKQKWSA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450261 1032690441 /nfs/dbraw/zinc/69/04/41/1032690441.db2.gz TYIMNGGQNSASDX-CLCXKQKWSA-N 1 2 332.463 3.782 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](c1ccncc1)C1CC1 ZINC000890910109 1017328500 /nfs/dbraw/zinc/32/85/00/1017328500.db2.gz VRTOGHPCFNDMNM-AZUAARDMSA-N 1 2 346.434 3.594 20 0 EHADLO c1ccc(C2(CNc3cc4c5c(c3)CCC[NH+]5CCC4)COC2)cc1 ZINC001167294548 1017407381 /nfs/dbraw/zinc/40/73/81/1017407381.db2.gz DGLHEINHYGECGI-UHFFFAOYSA-N 1 2 334.463 3.766 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000057375790 1017544106 /nfs/dbraw/zinc/54/41/06/1017544106.db2.gz AGJNQMWVGGOMGL-QGZVFWFLSA-N 1 2 346.862 3.863 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000340412770 1017580113 /nfs/dbraw/zinc/58/01/13/1017580113.db2.gz VLUJLFQEJLJDFH-LJQANCHMSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000340412770 1017580122 /nfs/dbraw/zinc/58/01/22/1017580122.db2.gz VLUJLFQEJLJDFH-LJQANCHMSA-N 1 2 326.415 3.586 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc2ccccc2o1 ZINC000655793824 1017625104 /nfs/dbraw/zinc/62/51/04/1017625104.db2.gz DPYIBMYDKDQOES-QAPCUYQASA-N 1 2 340.427 3.889 20 0 EHADLO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)cc1 ZINC000655796436 1017631311 /nfs/dbraw/zinc/63/13/11/1017631311.db2.gz HQNYPRAWMDOFGC-JYJNAYRXSA-N 1 2 346.862 3.736 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000655799128 1017641032 /nfs/dbraw/zinc/64/10/32/1017641032.db2.gz ZXWLOYMBZOURLZ-RDTXWAMCSA-N 1 2 349.438 3.569 20 0 EHADLO CC(C)CO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000325544052 1017650882 /nfs/dbraw/zinc/65/08/82/1017650882.db2.gz AVDWNYBTJVSTEA-RTBURBONSA-N 1 2 332.488 3.775 20 0 EHADLO Fc1ccc(Br)cc1C[NH2+]Cc1cn2ccsc2n1 ZINC000069062644 1017691614 /nfs/dbraw/zinc/69/16/14/1017691614.db2.gz KOMGEZOIWCXJLX-UHFFFAOYSA-N 1 2 340.221 3.587 20 0 EHADLO CCCCCOc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655819999 1017697710 /nfs/dbraw/zinc/69/77/10/1017697710.db2.gz PTLXMXIRBUJMOX-QGZVFWFLSA-N 1 2 344.459 3.515 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1ncc(Br)s1 ZINC000655832800 1017715615 /nfs/dbraw/zinc/71/56/15/1017715615.db2.gz ACCFHJYWAQLWFR-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000579958271 1017780274 /nfs/dbraw/zinc/78/02/74/1017780274.db2.gz WQOWCCOKIHXYMJ-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000579958271 1017780285 /nfs/dbraw/zinc/78/02/85/1017780285.db2.gz WQOWCCOKIHXYMJ-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1ccsc1Br ZINC000388968833 1017785792 /nfs/dbraw/zinc/78/57/92/1017785792.db2.gz JGTRHOYAYNPQIA-UHFFFAOYSA-N 1 2 341.274 3.983 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cccc(OCC(F)F)c2)s1 ZINC000892943957 1017851674 /nfs/dbraw/zinc/85/16/74/1017851674.db2.gz CJCAWROGWLNHFR-UHFFFAOYSA-N 1 2 327.400 3.595 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CSc3ccncc3)c2)[nH+]c1C ZINC000377473906 1017871639 /nfs/dbraw/zinc/87/16/39/1017871639.db2.gz SGCDBNQNXYYWQN-UHFFFAOYSA-N 1 2 338.436 3.819 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)nc1 ZINC000528761233 1032734369 /nfs/dbraw/zinc/73/43/69/1032734369.db2.gz HZEINHKUVQQPML-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000048581416 1018026770 /nfs/dbraw/zinc/02/67/70/1018026770.db2.gz TZVORZWSRPMMSP-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000048581416 1018026781 /nfs/dbraw/zinc/02/67/81/1018026781.db2.gz TZVORZWSRPMMSP-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO COCCOc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)o1 ZINC000892978970 1018035834 /nfs/dbraw/zinc/03/58/34/1018035834.db2.gz DRXNRGXODFTWOE-GFCCVEGCSA-N 1 2 332.425 3.765 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C2CC2)o1 ZINC000377621077 1018079991 /nfs/dbraw/zinc/07/99/91/1018079991.db2.gz FTNWXQFNNAMVAY-DAXOMENPSA-N 1 2 339.439 3.737 20 0 EHADLO COc1ccc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000047514740 1018206959 /nfs/dbraw/zinc/20/69/59/1018206959.db2.gz YLYAWMPJPWTHEN-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000460652712 1018261446 /nfs/dbraw/zinc/26/14/46/1018261446.db2.gz DXQACFULCVTOAU-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4cc(F)ccc4[C@@H]3C)ccc2[nH+]1 ZINC000606570071 1032754824 /nfs/dbraw/zinc/75/48/24/1032754824.db2.gz QEQPEWIKACZXIZ-ZDUSSCGKSA-N 1 2 338.386 3.933 20 0 EHADLO Cc1[nH+]cn(CCCCc2noc(-c3ccc(Cl)cc3O)n2)c1C ZINC000656038006 1018311461 /nfs/dbraw/zinc/31/14/61/1018311461.db2.gz PYZMUOSXHACDBC-UHFFFAOYSA-N 1 2 346.818 3.932 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000177183677 1018345746 /nfs/dbraw/zinc/34/57/46/1018345746.db2.gz BPYNEKMJPZUMLH-JKSUJKDBSA-N 1 2 329.469 3.520 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000177183677 1018345753 /nfs/dbraw/zinc/34/57/53/1018345753.db2.gz BPYNEKMJPZUMLH-JKSUJKDBSA-N 1 2 329.469 3.520 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)co2)cc1 ZINC000377777410 1018350651 /nfs/dbraw/zinc/35/06/51/1018350651.db2.gz LMUAOQXLBOCLPK-MRXNPFEDSA-N 1 2 346.793 3.778 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)co2)cc1 ZINC000377777410 1018350670 /nfs/dbraw/zinc/35/06/70/1018350670.db2.gz LMUAOQXLBOCLPK-MRXNPFEDSA-N 1 2 346.793 3.778 20 0 EHADLO COC[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(C)o1 ZINC000893099109 1018478358 /nfs/dbraw/zinc/47/83/58/1018478358.db2.gz IHNWDZHEFBLFQO-NSHDSACASA-N 1 2 334.363 3.627 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766153 1032767846 /nfs/dbraw/zinc/76/78/46/1032767846.db2.gz CZJJIJZMIXWJPZ-QMTHXVAHSA-N 1 2 346.780 3.704 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766153 1032767853 /nfs/dbraw/zinc/76/78/53/1032767853.db2.gz CZJJIJZMIXWJPZ-QMTHXVAHSA-N 1 2 346.780 3.704 20 0 EHADLO Cc1ccc(SCCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606581786 1032768640 /nfs/dbraw/zinc/76/86/40/1032768640.db2.gz QBZCPGBGJCEGPC-UHFFFAOYSA-N 1 2 326.425 3.557 20 0 EHADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131902 1018519780 /nfs/dbraw/zinc/51/97/80/1018519780.db2.gz SMACFXJGWLWIRR-SJLPKXTDSA-N 1 2 327.428 3.547 20 0 EHADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131902 1018519790 /nfs/dbraw/zinc/51/97/90/1018519790.db2.gz SMACFXJGWLWIRR-SJLPKXTDSA-N 1 2 327.428 3.547 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NCc1nc2ccccc2s1 ZINC000656106288 1018552012 /nfs/dbraw/zinc/55/20/12/1018552012.db2.gz WHORQLIEDWYTTI-UHFFFAOYSA-N 1 2 326.425 3.893 20 0 EHADLO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000549376637 1018579596 /nfs/dbraw/zinc/57/95/96/1018579596.db2.gz OHJCDNYPTIRGFD-SCLBCKFNSA-N 1 2 342.393 3.783 20 0 EHADLO CCn1cc(C[NH2+]Cc2ccc(C)cc2OCCCC(C)C)nn1 ZINC000893133127 1018594881 /nfs/dbraw/zinc/59/48/81/1018594881.db2.gz AZHWFRWCSOONBA-UHFFFAOYSA-N 1 2 330.476 3.711 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000340599027 1018608642 /nfs/dbraw/zinc/60/86/42/1018608642.db2.gz WZOGQKYAYDREOE-UHFFFAOYSA-N 1 2 326.375 3.836 20 0 EHADLO c1csc(-c2nc3ccccc3c(N3CCn4c[nH+]cc4C3)n2)c1 ZINC000377973913 1018609210 /nfs/dbraw/zinc/60/92/10/1018609210.db2.gz BXDNWPMMJDLSGM-UHFFFAOYSA-N 1 2 333.420 3.575 20 0 EHADLO C[C@H]1C[C@H]1N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000415889819 1018618774 /nfs/dbraw/zinc/61/87/74/1018618774.db2.gz JJFCHASYTFHGBB-QFHJOOASSA-N 1 2 335.451 3.596 20 0 EHADLO CCOc1cc(Nc2cc(C)[nH+]c(OC)c2)cnc1Br ZINC001210774578 1018653446 /nfs/dbraw/zinc/65/34/46/1018653446.db2.gz ONIXVJYMQKOXCA-UHFFFAOYSA-N 1 2 338.205 3.698 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000528768287 1032777736 /nfs/dbraw/zinc/77/77/36/1032777736.db2.gz JFGPQPCKZVEURV-LLVKDONJSA-N 1 2 340.805 3.755 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000528768287 1032777752 /nfs/dbraw/zinc/77/77/52/1032777752.db2.gz JFGPQPCKZVEURV-LLVKDONJSA-N 1 2 340.805 3.755 20 0 EHADLO COc1cc(Nc2c(N)cc(Br)cc2F)cc(C)[nH+]1 ZINC001210781510 1018676963 /nfs/dbraw/zinc/67/69/63/1018676963.db2.gz UQGXWZSTPKPDAZ-UHFFFAOYSA-N 1 2 326.169 3.626 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccccc1OCC)[C@H]1CCc2ccccc21 ZINC000047406043 1018884133 /nfs/dbraw/zinc/88/41/33/1018884133.db2.gz MVVYAYAJZQEBLC-FQEVSTJZSA-N 1 2 348.446 3.647 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccccc1OCC)[C@H]1CCc2ccccc21 ZINC000047406043 1018884151 /nfs/dbraw/zinc/88/41/51/1018884151.db2.gz MVVYAYAJZQEBLC-FQEVSTJZSA-N 1 2 348.446 3.647 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCSC[C@@H]3C3CCC3)nc(=O)c2c1C ZINC000419362775 1018887988 /nfs/dbraw/zinc/88/79/88/1018887988.db2.gz BZPSLBXFAXAORR-CYBMUJFWSA-N 1 2 349.525 3.731 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCSC[C@@H]3C3CCC3)nc(=O)c2c1C ZINC000419362775 1018888005 /nfs/dbraw/zinc/88/80/05/1018888005.db2.gz BZPSLBXFAXAORR-CYBMUJFWSA-N 1 2 349.525 3.731 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2F)o1 ZINC000291803895 1018915349 /nfs/dbraw/zinc/91/53/49/1018915349.db2.gz QUUWOIFRKFPEPU-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)ccc1NCC ZINC000897566407 1032796541 /nfs/dbraw/zinc/79/65/41/1032796541.db2.gz NYMHUDFJYPKJRS-UHFFFAOYSA-N 1 2 342.487 3.738 20 0 EHADLO C[C@H](CCNc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000513085131 1018931237 /nfs/dbraw/zinc/93/12/37/1018931237.db2.gz YAIRWSHQPVXVMN-OAHLLOKOSA-N 1 2 328.485 3.636 20 0 EHADLO C[C@H](CCNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000513085131 1018931247 /nfs/dbraw/zinc/93/12/47/1018931247.db2.gz YAIRWSHQPVXVMN-OAHLLOKOSA-N 1 2 328.485 3.636 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)o1 ZINC000894173798 1019049992 /nfs/dbraw/zinc/04/99/92/1019049992.db2.gz YPQBNOPAOTXNOK-JTQLQIEISA-N 1 2 325.206 3.687 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1cccs1)C1CC1 ZINC000340642800 1019056457 /nfs/dbraw/zinc/05/64/57/1019056457.db2.gz UBFRRJSBSQVKIU-UHFFFAOYSA-N 1 2 337.448 3.798 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340643110 1019057827 /nfs/dbraw/zinc/05/78/27/1019057827.db2.gz UGUZPGDPXAYUJF-VNQPRFMTSA-N 1 2 329.831 3.573 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H](C)c2cccs2)[nH+]1 ZINC000151108724 1019101055 /nfs/dbraw/zinc/10/10/55/1019101055.db2.gz XCTODASKNAANFA-HNNXBMFYSA-N 1 2 333.453 3.748 20 0 EHADLO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1cnc[nH]1 ZINC000894191080 1019109869 /nfs/dbraw/zinc/10/98/69/1019109869.db2.gz DCADCCXNMRBKGW-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000032001095 1032811242 /nfs/dbraw/zinc/81/12/42/1032811242.db2.gz GOSJLGZHMRCDJA-UHFFFAOYSA-N 1 2 344.455 3.608 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000729041667 1019165599 /nfs/dbraw/zinc/16/55/99/1019165599.db2.gz WQYCCSYVIOSPEO-KRWDZBQOSA-N 1 2 347.503 3.664 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)Cc1nnc(-c2ccccc2)n1C ZINC000340676892 1019171418 /nfs/dbraw/zinc/17/14/18/1019171418.db2.gz SJLQCKNIAJIVPG-UHFFFAOYSA-N 1 2 326.469 3.954 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)Cc1nnc(-c2ccccc2)n1C ZINC000340676892 1019171427 /nfs/dbraw/zinc/17/14/27/1019171427.db2.gz SJLQCKNIAJIVPG-UHFFFAOYSA-N 1 2 326.469 3.954 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(-c2cccnc2)cc1 ZINC000548091884 1019269153 /nfs/dbraw/zinc/26/91/53/1019269153.db2.gz HUFCJODKFBEKEA-KDOFPFPSSA-N 1 2 346.434 3.769 20 0 EHADLO Cc1nc2c(cccc2-c2noc(C[N@@H+](C)Cc3ccccc3)n2)[nH]1 ZINC000340684565 1019294652 /nfs/dbraw/zinc/29/46/52/1019294652.db2.gz WICVGBMBVGENQN-UHFFFAOYSA-N 1 2 333.395 3.553 20 0 EHADLO Cc1nc2c(cccc2-c2noc(C[N@H+](C)Cc3ccccc3)n2)[nH]1 ZINC000340684565 1019294663 /nfs/dbraw/zinc/29/46/63/1019294663.db2.gz WICVGBMBVGENQN-UHFFFAOYSA-N 1 2 333.395 3.553 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C=C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000729408869 1019349787 /nfs/dbraw/zinc/34/97/87/1019349787.db2.gz CTKFFWRVSLTQPK-INIZCTEOSA-N 1 2 328.456 3.909 20 0 EHADLO O=C(NCc1cc(F)c(Cl)cc1F)Nc1ccc2[nH+]ccn2c1 ZINC000683944258 1019414341 /nfs/dbraw/zinc/41/43/41/1019414341.db2.gz ZZCMWHJSGJAJSG-UHFFFAOYSA-N 1 2 336.729 3.588 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449572309 1032830026 /nfs/dbraw/zinc/83/00/26/1032830026.db2.gz MUUGXFKLOUNLAS-NOZJJQNGSA-N 1 2 326.227 3.994 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000340701043 1019460926 /nfs/dbraw/zinc/46/09/26/1019460926.db2.gz RYIVGYOCBXYABV-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000340701043 1019460940 /nfs/dbraw/zinc/46/09/40/1019460940.db2.gz RYIVGYOCBXYABV-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1c(F)cncc1F ZINC000513273198 1019493690 /nfs/dbraw/zinc/49/36/90/1019493690.db2.gz VOBIZCMTHANJMM-LBPRGKRZSA-N 1 2 341.361 3.802 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000510332017 1019531763 /nfs/dbraw/zinc/53/17/63/1019531763.db2.gz OCVYFGWYMBICAU-UIBIWLFHSA-N 1 2 329.488 3.580 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471588914 1019553996 /nfs/dbraw/zinc/55/39/96/1019553996.db2.gz DEDUEMYOJMEZGC-IAGOWNOFSA-N 1 2 328.460 3.688 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C)nc2C2CC2)c1C ZINC000580526406 1019562166 /nfs/dbraw/zinc/56/21/66/1019562166.db2.gz BYOIEVAFPGXWJI-UHFFFAOYSA-N 1 2 339.439 3.560 20 0 EHADLO COc1ccccc1-n1nccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000430025083 1019788455 /nfs/dbraw/zinc/78/84/55/1019788455.db2.gz VSYSXQAMYBSWDI-UHFFFAOYSA-N 1 2 345.406 3.679 20 0 EHADLO O=C(NCCCC1CCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433944524 1019817426 /nfs/dbraw/zinc/81/74/26/1019817426.db2.gz WEKPXQYACWRQFU-GOSISDBHSA-N 1 2 331.460 3.605 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000513606494 1019850834 /nfs/dbraw/zinc/85/08/34/1019850834.db2.gz OWOAPRAPEKYXFA-IRXDYDNUSA-N 1 2 327.472 3.638 20 0 EHADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000656276477 1019886261 /nfs/dbraw/zinc/88/62/61/1019886261.db2.gz QAISDKOCNKDEJG-LLVKDONJSA-N 1 2 325.359 3.789 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000656276477 1019886276 /nfs/dbraw/zinc/88/62/76/1019886276.db2.gz QAISDKOCNKDEJG-LLVKDONJSA-N 1 2 325.359 3.789 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092967965 1032860350 /nfs/dbraw/zinc/86/03/50/1032860350.db2.gz YDXSYBJFOXMYQV-CQSZACIVSA-N 1 2 327.325 3.878 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092967965 1032860371 /nfs/dbraw/zinc/86/03/71/1032860371.db2.gz YDXSYBJFOXMYQV-CQSZACIVSA-N 1 2 327.325 3.878 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000580717750 1019905535 /nfs/dbraw/zinc/90/55/35/1019905535.db2.gz ICKJEZDAQXCWES-VQIMIIECSA-N 1 2 341.455 3.987 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506252 1019948359 /nfs/dbraw/zinc/94/83/59/1019948359.db2.gz VYZBUFZUAQNLAQ-UZLBHIALSA-N 1 2 343.471 3.604 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506252 1019948364 /nfs/dbraw/zinc/94/83/64/1019948364.db2.gz VYZBUFZUAQNLAQ-UZLBHIALSA-N 1 2 343.471 3.604 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Oc2cccnc2)cc1 ZINC000340768099 1019958254 /nfs/dbraw/zinc/95/82/54/1019958254.db2.gz AXBDVDKISJSHFW-CYBMUJFWSA-N 1 2 346.394 3.724 20 0 EHADLO C[C@H]1c2ccccc2CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340771788 1019964216 /nfs/dbraw/zinc/96/42/16/1019964216.db2.gz DFOWCGHLKVLLCS-INIZCTEOSA-N 1 2 346.434 3.718 20 0 EHADLO Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000340771610 1019965571 /nfs/dbraw/zinc/96/55/71/1019965571.db2.gz DFVWWSHBNZMWTH-ZDUSSCGKSA-N 1 2 331.441 3.876 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1noc(Cc2ccccc2)n1 ZINC000580761804 1019992130 /nfs/dbraw/zinc/99/21/30/1019992130.db2.gz JUEWBMWLEHUNKP-DOTOQJQBSA-N 1 2 341.455 3.803 20 0 EHADLO Cc1ccncc1C[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000352393901 1020006324 /nfs/dbraw/zinc/00/63/24/1020006324.db2.gz DSOZPUANVRVCRY-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1ccncc1C[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000352393901 1020006337 /nfs/dbraw/zinc/00/63/37/1020006337.db2.gz DSOZPUANVRVCRY-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO O=C1OCCCN1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000897592822 1032869133 /nfs/dbraw/zinc/86/91/33/1032869133.db2.gz SCJVLZQRNNTQPI-UHFFFAOYSA-N 1 2 349.283 3.862 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728306627 1020034308 /nfs/dbraw/zinc/03/43/08/1020034308.db2.gz IXMSDQLLUVTDBQ-HZPDHXFCSA-N 1 2 333.476 3.865 20 0 EHADLO Fc1ccccc1Oc1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1F ZINC000160643275 1020038523 /nfs/dbraw/zinc/03/85/23/1020038523.db2.gz LQRBVODDBDJUST-UHFFFAOYSA-N 1 2 347.361 3.706 20 0 EHADLO Fc1ccccc1Oc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1F ZINC000160643275 1020038535 /nfs/dbraw/zinc/03/85/35/1020038535.db2.gz LQRBVODDBDJUST-UHFFFAOYSA-N 1 2 347.361 3.706 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ncccc2F)c(Cl)c1 ZINC000528826647 1032870376 /nfs/dbraw/zinc/87/03/76/1032870376.db2.gz GYVBZUKABJHQSG-LBPRGKRZSA-N 1 2 335.810 3.780 20 0 EHADLO Cn1ccnc1C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000280069865 1020057327 /nfs/dbraw/zinc/05/73/27/1020057327.db2.gz KYYBJSNFIBDUBI-HNNXBMFYSA-N 1 2 338.224 3.563 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@@]2(CCOC2)O1 ZINC000280137899 1020105022 /nfs/dbraw/zinc/10/50/22/1020105022.db2.gz CVNJCQXMMRKPAI-LJQANCHMSA-N 1 2 344.480 3.580 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@@]2(CCOC2)O1 ZINC000280137899 1020105031 /nfs/dbraw/zinc/10/50/31/1020105031.db2.gz CVNJCQXMMRKPAI-LJQANCHMSA-N 1 2 344.480 3.580 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000175963592 1020113442 /nfs/dbraw/zinc/11/34/42/1020113442.db2.gz XIUYNYBIZMRYGM-INIZCTEOSA-N 1 2 346.434 3.529 20 0 EHADLO C[C@]1(O)CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000280192929 1020158556 /nfs/dbraw/zinc/15/85/56/1020158556.db2.gz FPMIBQCMQFGDEH-INIZCTEOSA-N 1 2 335.245 3.739 20 0 EHADLO COCCC1(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCCC1 ZINC000280185776 1020175745 /nfs/dbraw/zinc/17/57/45/1020175745.db2.gz ZZNRUZXOUYOHNA-UHFFFAOYSA-N 1 2 327.428 3.921 20 0 EHADLO COc1ccc(F)cc1[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160679753 1020186677 /nfs/dbraw/zinc/18/66/77/1020186677.db2.gz QIMUXDOOHJNSOO-NSHDSACASA-N 1 2 343.406 3.902 20 0 EHADLO CC(C)CC(C)(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345443488 1020257065 /nfs/dbraw/zinc/25/70/65/1020257065.db2.gz FEWQDILHTWAHOW-UHFFFAOYSA-N 1 2 331.504 3.998 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)NCCNc1cccc[nH+]1 ZINC000580932207 1020259700 /nfs/dbraw/zinc/25/97/00/1020259700.db2.gz NLGUJSOHVXUFMY-UHFFFAOYSA-N 1 2 336.439 3.534 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093240241 1032888151 /nfs/dbraw/zinc/88/81/51/1032888151.db2.gz HMOOADBORMZYDB-AWEZNQCLSA-N 1 2 341.484 3.868 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093240241 1032888168 /nfs/dbraw/zinc/88/81/68/1032888168.db2.gz HMOOADBORMZYDB-AWEZNQCLSA-N 1 2 341.484 3.868 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606896967 1032890124 /nfs/dbraw/zinc/89/01/24/1032890124.db2.gz WBSLOLSNWMOGSQ-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606896967 1032890136 /nfs/dbraw/zinc/89/01/36/1032890136.db2.gz WBSLOLSNWMOGSQ-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2cn3cc(Br)ccc3n2)o1 ZINC000130101603 1020299357 /nfs/dbraw/zinc/29/93/57/1020299357.db2.gz QRJHNMHKWLAMST-LLVKDONJSA-N 1 2 334.217 3.849 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345494840 1020317735 /nfs/dbraw/zinc/31/77/35/1020317735.db2.gz WTEZOKQMMVEZKJ-HNNXBMFYSA-N 1 2 349.544 3.847 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cccc(F)c2)no1 ZINC000580978161 1020329870 /nfs/dbraw/zinc/32/98/70/1020329870.db2.gz PLXGLRKVICMWEW-UHFFFAOYSA-N 1 2 344.296 3.860 20 0 EHADLO Cc1nnc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1C1CC1 ZINC000340844919 1020401209 /nfs/dbraw/zinc/40/12/09/1020401209.db2.gz ZHRILGYHBUPIIF-UHFFFAOYSA-N 1 2 328.847 3.864 20 0 EHADLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1C1CC1 ZINC000340844919 1020401211 /nfs/dbraw/zinc/40/12/11/1020401211.db2.gz ZHRILGYHBUPIIF-UHFFFAOYSA-N 1 2 328.847 3.864 20 0 EHADLO C[C@H]1CCN(C(=O)CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000280470705 1020410592 /nfs/dbraw/zinc/41/05/92/1020410592.db2.gz UBQNYXGTRRFORQ-WMZOPIPTSA-N 1 2 343.496 3.616 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ncccc1F ZINC000528824321 1032899306 /nfs/dbraw/zinc/89/93/06/1032899306.db2.gz APCMZLSINBLSMM-SWLSCSKDSA-N 1 2 347.821 3.720 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145771 1020429107 /nfs/dbraw/zinc/42/91/07/1020429107.db2.gz SKUMLZDSLXELAX-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145771 1020429114 /nfs/dbraw/zinc/42/91/14/1020429114.db2.gz SKUMLZDSLXELAX-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCC1 ZINC000656384257 1020431469 /nfs/dbraw/zinc/43/14/69/1020431469.db2.gz NPBHBQWRMMWJLM-MSOLQXFVSA-N 1 2 331.460 3.603 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528825167 1032902817 /nfs/dbraw/zinc/90/28/17/1032902817.db2.gz OWYAMKLXQCNIDB-NWDGAFQWSA-N 1 2 335.810 3.860 20 0 EHADLO CSCc1cnc(CNc2[nH+]c3ccccc3n2C(C)C)s1 ZINC000581142204 1020480976 /nfs/dbraw/zinc/48/09/76/1020480976.db2.gz JERQOIZMDGHUKD-UHFFFAOYSA-N 1 2 332.498 3.971 20 0 EHADLO COCc1cc[nH+]c(NCc2cc(OC)cc(C(F)(F)F)c2)c1 ZINC000628326626 1020509096 /nfs/dbraw/zinc/50/90/96/1020509096.db2.gz OVSVGTBOCWSPQH-UHFFFAOYSA-N 1 2 326.318 3.868 20 0 EHADLO CCOC(=O)c1csc(CSCCc2[nH+]cc(C)cc2C)n1 ZINC000581191887 1020512160 /nfs/dbraw/zinc/51/21/60/1020512160.db2.gz ALNDTUGSPDXCIM-UHFFFAOYSA-N 1 2 336.482 3.808 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(C(F)F)cc1 ZINC000933111643 1020550402 /nfs/dbraw/zinc/55/04/02/1020550402.db2.gz MDOPGFQQAKNUIN-UHFFFAOYSA-N 1 2 334.370 3.521 20 0 EHADLO COc1ccc(Cl)cc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000340900270 1020568139 /nfs/dbraw/zinc/56/81/39/1020568139.db2.gz MNHZIHVUGBSUSO-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO COc1ccc(Cl)cc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000340900270 1020568144 /nfs/dbraw/zinc/56/81/44/1020568144.db2.gz MNHZIHVUGBSUSO-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)C(C)(C)C1(C)C)CCC2 ZINC000126317603 1020571536 /nfs/dbraw/zinc/57/15/36/1020571536.db2.gz YMTADZNKWZUWAZ-CYBMUJFWSA-N 1 2 335.517 3.619 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)C(C)(C)C1(C)C)CCC2 ZINC000126317603 1020571548 /nfs/dbraw/zinc/57/15/48/1020571548.db2.gz YMTADZNKWZUWAZ-CYBMUJFWSA-N 1 2 335.517 3.619 20 0 EHADLO CC1=CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280688050 1020586876 /nfs/dbraw/zinc/58/68/76/1020586876.db2.gz AWHUJYAVGQRDCR-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO CC1=CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280688050 1020586885 /nfs/dbraw/zinc/58/68/85/1020586885.db2.gz AWHUJYAVGQRDCR-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC=C(C)C3)cs2)cc1 ZINC000280707936 1020596547 /nfs/dbraw/zinc/59/65/47/1020596547.db2.gz DAMKREVOWAWQTF-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC=C(C)C3)cs2)cc1 ZINC000280707936 1020596558 /nfs/dbraw/zinc/59/65/58/1020596558.db2.gz DAMKREVOWAWQTF-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419445088 1020657202 /nfs/dbraw/zinc/65/72/02/1020657202.db2.gz UMPRVBDLKLCPKS-DLBZAZTESA-N 1 2 346.519 3.618 20 0 EHADLO C[C@@H]1CC(C)(C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414411274 1020658426 /nfs/dbraw/zinc/65/84/26/1020658426.db2.gz JCCWYXOCKUUUPB-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCc2c(Cl)cccc2C1 ZINC000606950974 1032920925 /nfs/dbraw/zinc/92/09/25/1032920925.db2.gz URVDLMHKEWAPQS-UHFFFAOYSA-N 1 2 326.787 3.578 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCOc3ccc(F)cc3)cc2[nH+]1 ZINC000340961619 1020686726 /nfs/dbraw/zinc/68/67/26/1020686726.db2.gz WUICLWUCTFLJNJ-UHFFFAOYSA-N 1 2 327.359 3.808 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340969069 1020703032 /nfs/dbraw/zinc/70/30/32/1020703032.db2.gz ZUZYWVWAIBQNOV-JKSUJKDBSA-N 1 2 332.492 3.696 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340971210 1020710447 /nfs/dbraw/zinc/71/04/47/1020710447.db2.gz BSSLOQGZGLRFKT-RTWAWAEBSA-N 1 2 345.446 3.741 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1nc(-c3ccc(C)cc3)cs1)C2 ZINC000933254990 1020828395 /nfs/dbraw/zinc/82/83/95/1020828395.db2.gz GUBKSOBYTYGDDL-UHFFFAOYSA-N 1 2 338.480 3.893 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)n1C ZINC000341006118 1020831624 /nfs/dbraw/zinc/83/16/24/1020831624.db2.gz JWLLZCRFMIEWJN-SFHVURJKSA-N 1 2 339.414 3.778 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCC1 ZINC000341013647 1020852523 /nfs/dbraw/zinc/85/25/23/1020852523.db2.gz KPPZJONOBZTDJS-AWEZNQCLSA-N 1 2 344.434 3.779 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC000760403095 1032935606 /nfs/dbraw/zinc/93/56/06/1032935606.db2.gz WPCKZZLMHRQJMZ-LJQANCHMSA-N 1 2 342.483 3.781 20 0 EHADLO O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000255298612 1020856588 /nfs/dbraw/zinc/85/65/88/1020856588.db2.gz FDTHHKAJZOXSNS-XFXZXTDPSA-N 1 2 343.383 3.628 20 0 EHADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000341048647 1020915112 /nfs/dbraw/zinc/91/51/12/1020915112.db2.gz YVSMBMRSIHZMIX-HNNXBMFYSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)sc1-c1ccc(F)cc1 ZINC000754684072 1020925453 /nfs/dbraw/zinc/92/54/53/1020925453.db2.gz GUWMNBIUPCAAPQ-UHFFFAOYSA-N 1 2 330.384 3.953 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(CC)o2)cc1OCC ZINC000341068071 1020949512 /nfs/dbraw/zinc/94/95/12/1020949512.db2.gz BCHMTXRUHMKPDW-CHWSQXEVSA-N 1 2 333.432 3.841 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000276269626 1020983946 /nfs/dbraw/zinc/98/39/46/1020983946.db2.gz PVUJZGUDMJFUQH-GFCCVEGCSA-N 1 2 336.304 3.566 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000276269626 1020983947 /nfs/dbraw/zinc/98/39/47/1020983947.db2.gz PVUJZGUDMJFUQH-GFCCVEGCSA-N 1 2 336.304 3.566 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 ZINC000137229606 1032943395 /nfs/dbraw/zinc/94/33/95/1032943395.db2.gz OMHRJZUKGOJRFV-NRFANRHFSA-N 1 2 348.446 3.812 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 ZINC000137229606 1032943414 /nfs/dbraw/zinc/94/34/14/1032943414.db2.gz OMHRJZUKGOJRFV-NRFANRHFSA-N 1 2 348.446 3.812 20 0 EHADLO Cc1cc2c(s1)N(c1cccc(=O)n1C)c1ccccc1NC2=[NH2+] ZINC001167467743 1021054084 /nfs/dbraw/zinc/05/40/84/1021054084.db2.gz BXLDOLJLJRINDD-UHFFFAOYSA-N 1 2 336.420 3.575 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000129409240 1021075172 /nfs/dbraw/zinc/07/51/72/1021075172.db2.gz VUAVTYIBILKUTL-SFHVURJKSA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000129409240 1021075175 /nfs/dbraw/zinc/07/51/75/1021075175.db2.gz VUAVTYIBILKUTL-SFHVURJKSA-N 1 2 336.460 3.902 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647730 1032954277 /nfs/dbraw/zinc/95/42/77/1032954277.db2.gz QSAMOKHMHVDJDO-QWHCGFSZSA-N 1 2 344.842 3.502 20 0 EHADLO CC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000891435226 1021131457 /nfs/dbraw/zinc/13/14/57/1021131457.db2.gz ZMEYJTBTUQQGDH-UHFFFAOYSA-N 1 2 349.356 3.630 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000656683112 1021160627 /nfs/dbraw/zinc/16/06/27/1021160627.db2.gz XPEJLBFSYBGMON-YCPHGPKFSA-N 1 2 331.485 3.840 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000656683111 1021160870 /nfs/dbraw/zinc/16/08/70/1021160870.db2.gz XPEJLBFSYBGMON-LZWOXQAQSA-N 1 2 331.485 3.840 20 0 EHADLO CCc1oc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000341243038 1021166097 /nfs/dbraw/zinc/16/60/97/1021166097.db2.gz PYKKDQDMLVBXBC-UHFFFAOYSA-N 1 2 329.444 3.680 20 0 EHADLO COCc1csc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000656685681 1021167564 /nfs/dbraw/zinc/16/75/64/1021167564.db2.gz XLSHONRPWBRGBZ-NSHDSACASA-N 1 2 347.415 3.934 20 0 EHADLO FC(F)C1C[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000656691531 1021177387 /nfs/dbraw/zinc/17/73/87/1021177387.db2.gz IANNVMQURWAFNQ-UHFFFAOYSA-N 1 2 331.288 3.588 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076078144 1021207607 /nfs/dbraw/zinc/20/76/07/1021207607.db2.gz GHRWARHGHKPOSF-KRWDZBQOSA-N 1 2 334.423 3.652 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516242320 1021212084 /nfs/dbraw/zinc/21/20/84/1021212084.db2.gz DHDSFFGEUMHJKV-IRXDYDNUSA-N 1 2 344.503 3.697 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)cn1 ZINC000505881088 1021222220 /nfs/dbraw/zinc/22/22/20/1021222220.db2.gz DXNSKDDHZHOVOD-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)cn1 ZINC000505881088 1021222227 /nfs/dbraw/zinc/22/22/27/1021222227.db2.gz DXNSKDDHZHOVOD-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[NH+]2CCCCCCC2)c1=S ZINC000007074981 1021233989 /nfs/dbraw/zinc/23/39/89/1021233989.db2.gz CLFSWTWPJATNTB-UHFFFAOYSA-N 1 2 334.464 3.981 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(Br)cn1 ZINC000625652521 1021236882 /nfs/dbraw/zinc/23/68/82/1021236882.db2.gz ALTCCEYCZXCMJK-AOOOYVTPSA-N 1 2 349.219 3.576 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(Br)cn1 ZINC000625652521 1021236883 /nfs/dbraw/zinc/23/68/83/1021236883.db2.gz ALTCCEYCZXCMJK-AOOOYVTPSA-N 1 2 349.219 3.576 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 ZINC000341267877 1021239992 /nfs/dbraw/zinc/23/99/92/1021239992.db2.gz BGXLDQFQBTYOMV-QWHCGFSZSA-N 1 2 337.379 3.877 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)n2)s1 ZINC000426321903 1021259919 /nfs/dbraw/zinc/25/99/19/1021259919.db2.gz GAAOUCWQYSBXDG-AWEZNQCLSA-N 1 2 347.509 3.999 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)n2)s1 ZINC000426321903 1021259931 /nfs/dbraw/zinc/25/99/31/1021259931.db2.gz GAAOUCWQYSBXDG-AWEZNQCLSA-N 1 2 347.509 3.999 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000466953257 1021260712 /nfs/dbraw/zinc/26/07/12/1021260712.db2.gz FGYSXBHBTJAQKQ-UHFFFAOYSA-N 1 2 342.805 3.839 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CC[C@@H]3c3ccccc3)n2)cc1F ZINC000487379905 1021291432 /nfs/dbraw/zinc/29/14/32/1021291432.db2.gz UIEGZJSXEJEWFO-MRXNPFEDSA-N 1 2 327.334 3.962 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CC[C@@H]3c3ccccc3)n2)cc1F ZINC000487379905 1021291440 /nfs/dbraw/zinc/29/14/40/1021291440.db2.gz UIEGZJSXEJEWFO-MRXNPFEDSA-N 1 2 327.334 3.962 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000076724497 1021291883 /nfs/dbraw/zinc/29/18/83/1021291883.db2.gz RZMFYOCBIFSUEN-DOMZBBRYSA-N 1 2 339.505 3.719 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000076724497 1021291892 /nfs/dbraw/zinc/29/18/92/1021291892.db2.gz RZMFYOCBIFSUEN-DOMZBBRYSA-N 1 2 339.505 3.719 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(O)c(F)c3)no2)c1 ZINC000436877804 1021327967 /nfs/dbraw/zinc/32/79/67/1021327967.db2.gz HRKGIACWIZLMMY-UHFFFAOYSA-N 1 2 336.326 3.742 20 0 EHADLO CCc1ncc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000505897722 1021351151 /nfs/dbraw/zinc/35/11/51/1021351151.db2.gz IIWSPYKRKFECTM-RMKNXTFCSA-N 1 2 327.497 3.537 20 0 EHADLO CCc1ncc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)s1 ZINC000505897722 1021351164 /nfs/dbraw/zinc/35/11/64/1021351164.db2.gz IIWSPYKRKFECTM-RMKNXTFCSA-N 1 2 327.497 3.537 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516393920 1021386943 /nfs/dbraw/zinc/38/69/43/1021386943.db2.gz IEZKIUHURLWNAG-GDBMZVCRSA-N 1 2 329.419 3.844 20 0 EHADLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc(C2CCCCC2)cc1 ZINC000449652996 1032976797 /nfs/dbraw/zinc/97/67/97/1032976797.db2.gz RFUZWQONHWXRAL-QGZVFWFLSA-N 1 2 336.426 3.709 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000426379381 1021418442 /nfs/dbraw/zinc/41/84/42/1021418442.db2.gz SSPIBWNNZANOCF-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000426379381 1021418453 /nfs/dbraw/zinc/41/84/53/1021418453.db2.gz SSPIBWNNZANOCF-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC(F)(F)C1 ZINC000425674566 1021469481 /nfs/dbraw/zinc/46/94/81/1021469481.db2.gz PEITWNDSJULLMA-UHFFFAOYSA-N 1 2 346.381 3.759 20 0 EHADLO O=C(NC[C@@H]1CC12CC2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000518732998 1021491366 /nfs/dbraw/zinc/49/13/66/1021491366.db2.gz GHADXNLCNPALAX-HNNXBMFYSA-N 1 2 334.423 3.523 20 0 EHADLO CC(C)Oc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000346002369 1021495214 /nfs/dbraw/zinc/49/52/14/1021495214.db2.gz JUJQMEQWWPHEID-UHFFFAOYSA-N 1 2 347.378 3.772 20 0 EHADLO Fc1cccc(Cn2cnc(C[NH2+][C@@H](c3ccccc3)C3CC3)n2)c1 ZINC000437083832 1021535455 /nfs/dbraw/zinc/53/54/55/1021535455.db2.gz SEUFILSGNGWKKF-FQEVSTJZSA-N 1 2 336.414 3.706 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000246855481 1021578034 /nfs/dbraw/zinc/57/80/34/1021578034.db2.gz SGLLXMKOPKVPDV-SJLPKXTDSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000246855481 1021578044 /nfs/dbraw/zinc/57/80/44/1021578044.db2.gz SGLLXMKOPKVPDV-SJLPKXTDSA-N 1 2 349.377 3.605 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000440542634 1021586464 /nfs/dbraw/zinc/58/64/64/1021586464.db2.gz ZYFZMDIAHWQREG-GUXCAODWSA-N 1 2 347.503 3.828 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000440542634 1021586474 /nfs/dbraw/zinc/58/64/74/1021586474.db2.gz ZYFZMDIAHWQREG-GUXCAODWSA-N 1 2 347.503 3.828 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(C3CC3)n2C2CC2)c1C ZINC000078709118 1021596809 /nfs/dbraw/zinc/59/68/09/1021596809.db2.gz VYFMDIHXNIXVFB-UHFFFAOYSA-N 1 2 330.457 3.803 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)cccc1OC ZINC000519682973 1021619759 /nfs/dbraw/zinc/61/97/59/1021619759.db2.gz YJCVACBIHSUVNG-UHFFFAOYSA-N 1 2 344.459 3.707 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519729501 1021638588 /nfs/dbraw/zinc/63/85/88/1021638588.db2.gz VYJOUGNBWBAQBC-QGZVFWFLSA-N 1 2 331.456 3.663 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519729501 1021638592 /nfs/dbraw/zinc/63/85/92/1021638592.db2.gz VYJOUGNBWBAQBC-QGZVFWFLSA-N 1 2 331.456 3.663 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000593586582 1032992298 /nfs/dbraw/zinc/99/22/98/1032992298.db2.gz ZQFNCHONQVXMJV-SFHVURJKSA-N 1 2 338.407 3.954 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000593586582 1032992317 /nfs/dbraw/zinc/99/23/17/1032992317.db2.gz ZQFNCHONQVXMJV-SFHVURJKSA-N 1 2 338.407 3.954 20 0 EHADLO CCc1cncc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000519798329 1021705131 /nfs/dbraw/zinc/70/51/31/1021705131.db2.gz PYHJQZKZVCFVMN-FQEVSTJZSA-N 1 2 348.450 3.629 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000366660230 1021718476 /nfs/dbraw/zinc/71/84/76/1021718476.db2.gz APVINTMCILBOFI-GOSISDBHSA-N 1 2 349.434 3.576 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)cc1 ZINC000519846637 1021723405 /nfs/dbraw/zinc/72/34/05/1021723405.db2.gz DCARZVABNYKAKQ-HXUWFJFHSA-N 1 2 327.399 3.940 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)cc1 ZINC000519846637 1021723417 /nfs/dbraw/zinc/72/34/17/1021723417.db2.gz DCARZVABNYKAKQ-HXUWFJFHSA-N 1 2 327.399 3.940 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1c(F)cccc1SC ZINC000894388580 1021726286 /nfs/dbraw/zinc/72/62/86/1021726286.db2.gz GLGSNHWZAWYHMI-UHFFFAOYSA-N 1 2 325.430 3.686 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3ccncc3Cl)CC2)cc1 ZINC000471694207 1021735000 /nfs/dbraw/zinc/73/50/00/1021735000.db2.gz SOELHUROFNNYKQ-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482531 1021758557 /nfs/dbraw/zinc/75/85/57/1021758557.db2.gz MMXCJKYWNFSYJM-DOTOQJQBSA-N 1 2 349.434 3.783 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482531 1021758570 /nfs/dbraw/zinc/75/85/70/1021758570.db2.gz MMXCJKYWNFSYJM-DOTOQJQBSA-N 1 2 349.434 3.783 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482534 1021761700 /nfs/dbraw/zinc/76/17/00/1021761700.db2.gz MMXCJKYWNFSYJM-WBVHZDCISA-N 1 2 349.434 3.783 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482534 1021761713 /nfs/dbraw/zinc/76/17/13/1021761713.db2.gz MMXCJKYWNFSYJM-WBVHZDCISA-N 1 2 349.434 3.783 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426520168 1021796271 /nfs/dbraw/zinc/79/62/71/1021796271.db2.gz CGCMFOTWDGOGMI-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426520168 1021796283 /nfs/dbraw/zinc/79/62/83/1021796283.db2.gz CGCMFOTWDGOGMI-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC2CC2)c(C)c1 ZINC000440808030 1021799299 /nfs/dbraw/zinc/79/92/99/1021799299.db2.gz WWBWBIAQYRSLTP-QFBILLFUSA-N 1 2 340.471 3.729 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000516870541 1021801647 /nfs/dbraw/zinc/80/16/47/1021801647.db2.gz GJWDIHCQWQVPRY-MRXNPFEDSA-N 1 2 343.471 3.921 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000519941082 1021802732 /nfs/dbraw/zinc/80/27/32/1021802732.db2.gz VCDAQMBWZRQFJI-RAUXBKROSA-N 1 2 344.499 3.628 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000519941082 1021802747 /nfs/dbraw/zinc/80/27/47/1021802747.db2.gz VCDAQMBWZRQFJI-RAUXBKROSA-N 1 2 344.499 3.628 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000612115663 1033007764 /nfs/dbraw/zinc/00/77/64/1033007764.db2.gz MHUZGFPOKSHPKS-NEEZITCHSA-N 1 2 349.478 3.930 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(c2cccc(F)c2F)CC1 ZINC000581826549 1021812045 /nfs/dbraw/zinc/81/20/45/1021812045.db2.gz HHANCMAYUCJYHH-CQSZACIVSA-N 1 2 345.393 3.514 20 0 EHADLO Cn1cc(C(C)(C)[NH2+]Cc2csc(CCc3ccccc3)n2)cn1 ZINC000516894023 1021834654 /nfs/dbraw/zinc/83/46/54/1021834654.db2.gz LWDIAWIJOSCQCI-UHFFFAOYSA-N 1 2 340.496 3.687 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465079 1021859455 /nfs/dbraw/zinc/85/94/55/1021859455.db2.gz QCNFTSSCNBETTL-GOEBONIOSA-N 1 2 344.405 3.632 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469465079 1021859475 /nfs/dbraw/zinc/85/94/75/1021859475.db2.gz QCNFTSSCNBETTL-GOEBONIOSA-N 1 2 344.405 3.632 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000469564831 1021884074 /nfs/dbraw/zinc/88/40/74/1021884074.db2.gz FGJVWXRXRCHFAQ-IBGZPJMESA-N 1 2 339.826 3.820 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440950237 1021900278 /nfs/dbraw/zinc/90/02/78/1021900278.db2.gz GJPKMTLTQTYNQU-QZTJIDSGSA-N 1 2 330.472 3.780 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440950237 1021900288 /nfs/dbraw/zinc/90/02/88/1021900288.db2.gz GJPKMTLTQTYNQU-QZTJIDSGSA-N 1 2 330.472 3.780 20 0 EHADLO CC(C)C(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000188166657 1021903452 /nfs/dbraw/zinc/90/34/52/1021903452.db2.gz LWOGFHHBFISXNS-UHFFFAOYSA-N 1 2 344.459 3.766 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440967973 1021907409 /nfs/dbraw/zinc/90/74/09/1021907409.db2.gz UTZSZHLJCRBCBI-SJLPKXTDSA-N 1 2 326.440 3.691 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440967973 1021907419 /nfs/dbraw/zinc/90/74/19/1021907419.db2.gz UTZSZHLJCRBCBI-SJLPKXTDSA-N 1 2 326.440 3.691 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441022557 1021934217 /nfs/dbraw/zinc/93/42/17/1021934217.db2.gz CXWZLJHNIDCIPZ-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441022557 1021934228 /nfs/dbraw/zinc/93/42/28/1021934228.db2.gz CXWZLJHNIDCIPZ-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441040759 1021939042 /nfs/dbraw/zinc/93/90/42/1021939042.db2.gz BCPULRFEKSHGFD-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441040759 1021939047 /nfs/dbraw/zinc/93/90/47/1021939047.db2.gz BCPULRFEKSHGFD-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000276596470 1021939733 /nfs/dbraw/zinc/93/97/33/1021939733.db2.gz DSQOXIMQVDOTKZ-HKUYNNGSSA-N 1 2 337.467 3.723 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C ZINC000520146280 1021964120 /nfs/dbraw/zinc/96/41/20/1021964120.db2.gz SASQRWPAGQEOSZ-UHFFFAOYSA-N 1 2 349.434 3.760 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Cl)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441135459 1022014525 /nfs/dbraw/zinc/01/45/25/1022014525.db2.gz SXSAVGYHIJSGQL-IUODEOHRSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Cl)[N@H+]1CCCC[C@@H](SC)C1 ZINC000441135459 1022014543 /nfs/dbraw/zinc/01/45/43/1022014543.db2.gz SXSAVGYHIJSGQL-IUODEOHRSA-N 1 2 327.877 3.772 20 0 EHADLO Cc1cc(NCc2ccc(F)cc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000341489386 1022024306 /nfs/dbraw/zinc/02/43/06/1022024306.db2.gz SIFJDDIVDGVICI-UHFFFAOYSA-N 1 2 325.309 3.854 20 0 EHADLO CC(C)c1cccc2c1CCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC000276636923 1022036416 /nfs/dbraw/zinc/03/64/16/1022036416.db2.gz QINFMHDVNAIGCU-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000441165416 1022041328 /nfs/dbraw/zinc/04/13/28/1022041328.db2.gz INTFAPSDGFQTNV-FQEVSTJZSA-N 1 2 339.435 3.825 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000441165416 1022041343 /nfs/dbraw/zinc/04/13/43/1022041343.db2.gz INTFAPSDGFQTNV-FQEVSTJZSA-N 1 2 339.435 3.825 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)c1ccccc1 ZINC000299446927 1022056843 /nfs/dbraw/zinc/05/68/43/1022056843.db2.gz UYVOVZZBUWDIHI-AWEZNQCLSA-N 1 2 327.384 3.539 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)c1ccccc1 ZINC000299446927 1022056854 /nfs/dbraw/zinc/05/68/54/1022056854.db2.gz UYVOVZZBUWDIHI-AWEZNQCLSA-N 1 2 327.384 3.539 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2ccccc2C(F)(F)F)no1 ZINC000441234286 1022072152 /nfs/dbraw/zinc/07/21/52/1022072152.db2.gz QKISOORNOAMBMV-UHFFFAOYSA-N 1 2 343.349 3.555 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)c[nH+]1 ZINC000593738879 1033023485 /nfs/dbraw/zinc/02/34/85/1033023485.db2.gz MVGZAONVAMQKJU-UHFFFAOYSA-N 1 2 346.471 3.607 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1nc3ccccc3c(=O)n1C)C(C)(C)C2 ZINC000519432097 1022101038 /nfs/dbraw/zinc/10/10/38/1022101038.db2.gz FQTPTIPKBPCYJE-UHFFFAOYSA-N 1 2 347.462 3.579 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1nc3ccccc3c(=O)n1C)C(C)(C)C2 ZINC000519432097 1022101047 /nfs/dbraw/zinc/10/10/47/1022101047.db2.gz FQTPTIPKBPCYJE-UHFFFAOYSA-N 1 2 347.462 3.579 20 0 EHADLO CCCC(O)(CCC)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000506126157 1022119165 /nfs/dbraw/zinc/11/91/65/1022119165.db2.gz IWCANFYVTVZYOR-UHFFFAOYSA-N 1 2 339.443 3.559 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(-c4nccs4)cc3)[nH+]c12 ZINC000520324842 1022129636 /nfs/dbraw/zinc/12/96/36/1022129636.db2.gz PITZJIDOCPNFIO-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc2c(cccc2F)[nH]1 ZINC000437800576 1022136714 /nfs/dbraw/zinc/13/67/14/1022136714.db2.gz NFJHTURCUXSPPA-UHFFFAOYSA-N 1 2 340.398 3.525 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc2c(cccc2F)[nH]1 ZINC000437800576 1022136719 /nfs/dbraw/zinc/13/67/19/1022136719.db2.gz NFJHTURCUXSPPA-UHFFFAOYSA-N 1 2 340.398 3.525 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000517218015 1022139869 /nfs/dbraw/zinc/13/98/69/1022139869.db2.gz PFRVXQSJYIJLLP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnccc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000517218015 1022139879 /nfs/dbraw/zinc/13/98/79/1022139879.db2.gz PFRVXQSJYIJLLP-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Clc1ccccc1OC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891629167 1022154957 /nfs/dbraw/zinc/15/49/57/1022154957.db2.gz CJXIJSOUVDJIHR-UHFFFAOYSA-N 1 2 331.847 3.915 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2nccnc2c1 ZINC000602643481 1033032550 /nfs/dbraw/zinc/03/25/50/1033032550.db2.gz LDNHAGJIQQPODG-PMACEKPBSA-N 1 2 347.418 3.509 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2nccnc2c1 ZINC000602643481 1033032564 /nfs/dbraw/zinc/03/25/64/1033032564.db2.gz LDNHAGJIQQPODG-PMACEKPBSA-N 1 2 347.418 3.509 20 0 EHADLO CCOC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCCC1 ZINC000327941777 1033035025 /nfs/dbraw/zinc/03/50/25/1033035025.db2.gz XHCSQECGDMERTF-UHFFFAOYSA-N 1 2 337.427 3.577 20 0 EHADLO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178216773 1022191538 /nfs/dbraw/zinc/19/15/38/1022191538.db2.gz GDWNTJODIUQUDP-HNNXBMFYSA-N 1 2 333.391 3.608 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000520408409 1022211807 /nfs/dbraw/zinc/21/18/07/1022211807.db2.gz LUCZLWJYYBWAHA-OAHLLOKOSA-N 1 2 349.830 3.649 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000520408409 1022211820 /nfs/dbraw/zinc/21/18/20/1022211820.db2.gz LUCZLWJYYBWAHA-OAHLLOKOSA-N 1 2 349.830 3.649 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c(O)cccc2F)cc1 ZINC000187753248 1022238475 /nfs/dbraw/zinc/23/84/75/1022238475.db2.gz MLWUIVZVCQMRQU-LBPRGKRZSA-N 1 2 339.370 3.516 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000506158828 1022241477 /nfs/dbraw/zinc/24/14/77/1022241477.db2.gz CFDBZGPLXQAYHU-QGZVFWFLSA-N 1 2 342.487 3.620 20 0 EHADLO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000574324545 1033042732 /nfs/dbraw/zinc/04/27/32/1033042732.db2.gz OMHUCVDMXKROPD-AWEZNQCLSA-N 1 2 348.393 3.794 20 0 EHADLO Cc1ccc2cc(C[N@@H+]3CCNC(=O)[C@@H]3c3ccccc3C)ccc2n1 ZINC000437980295 1022301807 /nfs/dbraw/zinc/30/18/07/1022301807.db2.gz QVRJDFIWHSZECH-NRFANRHFSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1ccc2cc(C[N@H+]3CCNC(=O)[C@@H]3c3ccccc3C)ccc2n1 ZINC000437980295 1022301824 /nfs/dbraw/zinc/30/18/24/1022301824.db2.gz QVRJDFIWHSZECH-NRFANRHFSA-N 1 2 345.446 3.525 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1C ZINC000276695712 1022329711 /nfs/dbraw/zinc/32/97/11/1022329711.db2.gz ADNZRKMTDRNNSF-GFCCVEGCSA-N 1 2 343.406 3.560 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)on1 ZINC000602637710 1033046357 /nfs/dbraw/zinc/04/63/57/1033046357.db2.gz PMLAUMIVYHDESA-CQSZACIVSA-N 1 2 342.317 3.553 20 0 EHADLO CCc1cccc(OCC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1 ZINC000517459660 1022359024 /nfs/dbraw/zinc/35/90/24/1022359024.db2.gz ZOZRKGBOEYAUPL-UHFFFAOYSA-N 1 2 335.407 3.965 20 0 EHADLO Cc1cc(N2CC[C@H](c3ccc4cccnc4n3)C2)nc(C2CCC2)[nH+]1 ZINC000895000343 1022377614 /nfs/dbraw/zinc/37/76/14/1022377614.db2.gz LGHRBQPADUDGLH-KRWDZBQOSA-N 1 2 345.450 3.990 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)Cc3cccs3)ccc2[nH+]1 ZINC000438108427 1022394785 /nfs/dbraw/zinc/39/47/85/1022394785.db2.gz KLYBZQYONGYVFR-GFCCVEGCSA-N 1 2 328.441 3.705 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCSCC1 ZINC000110981310 1022396859 /nfs/dbraw/zinc/39/68/59/1022396859.db2.gz LJUJPMXKZBEWRI-OAHLLOKOSA-N 1 2 342.464 3.855 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(OCC2CCCCC2)c1)c1ncnn1C ZINC000276719688 1022405342 /nfs/dbraw/zinc/40/53/42/1022405342.db2.gz PRJWGWAYSABIRW-OAHLLOKOSA-N 1 2 328.460 3.625 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)n1 ZINC000328703632 1022472945 /nfs/dbraw/zinc/47/29/45/1022472945.db2.gz OHOPXIBJDIQIBY-SJKOYZFVSA-N 1 2 340.427 3.790 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1(C(F)F)CC1 ZINC000843584764 1022490775 /nfs/dbraw/zinc/49/07/75/1022490775.db2.gz DKZGFTPQSQDPNM-UHFFFAOYSA-N 1 2 331.366 3.870 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC000891738257 1022493544 /nfs/dbraw/zinc/49/35/44/1022493544.db2.gz IERFDXOKPGCDAI-FQEVSTJZSA-N 1 2 349.482 3.907 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC000891738257 1022493553 /nfs/dbraw/zinc/49/35/53/1022493553.db2.gz IERFDXOKPGCDAI-FQEVSTJZSA-N 1 2 349.482 3.907 20 0 EHADLO COC(=O)c1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1C ZINC000438295267 1022530422 /nfs/dbraw/zinc/53/04/22/1022530422.db2.gz QDZXQDMFSFTGOL-UHFFFAOYSA-N 1 2 335.407 3.639 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]C[C@@H]1CCSC1 ZINC000425975661 1022533910 /nfs/dbraw/zinc/53/39/10/1022533910.db2.gz FSQPNBZKLWBVOZ-HNAYVOBHSA-N 1 2 343.492 3.657 20 0 EHADLO CC(=O)Nc1ccc(F)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438300728 1022542406 /nfs/dbraw/zinc/54/24/06/1022542406.db2.gz DLRXLVAOTWZJDM-UHFFFAOYSA-N 1 2 338.386 3.641 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)c1cccs1 ZINC000438302566 1022542522 /nfs/dbraw/zinc/54/25/22/1022542522.db2.gz LLHROLBUBKOMEE-HNNXBMFYSA-N 1 2 335.444 3.539 20 0 EHADLO Cc1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1C(=O)N(C)C ZINC000438306199 1022546301 /nfs/dbraw/zinc/54/63/01/1022546301.db2.gz ZCSMSJMHTDLQRR-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000438311263 1022549831 /nfs/dbraw/zinc/54/98/31/1022549831.db2.gz FIWSSNMMOODFOZ-IBGZPJMESA-N 1 2 341.426 3.522 20 0 EHADLO O=C1CCOc2c(NCc3c[nH+]cn3Cc3ccccc3)cccc21 ZINC000438312197 1022550271 /nfs/dbraw/zinc/55/02/71/1022550271.db2.gz AZZKUBZWUSLMBY-UHFFFAOYSA-N 1 2 333.391 3.509 20 0 EHADLO Fc1ccc(C[N@H+](Cc2cccc3c2OCCO3)C2CC2)c(F)c1 ZINC000058908044 1033065527 /nfs/dbraw/zinc/06/55/27/1033065527.db2.gz YCOWJBYSVWOWJF-UHFFFAOYSA-N 1 2 331.362 3.901 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2cccc3c2OCCO3)C2CC2)c(F)c1 ZINC000058908044 1033065539 /nfs/dbraw/zinc/06/55/39/1033065539.db2.gz YCOWJBYSVWOWJF-UHFFFAOYSA-N 1 2 331.362 3.901 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cnnn2-c2ccccc2)cs1 ZINC000925031478 1022576841 /nfs/dbraw/zinc/57/68/41/1022576841.db2.gz AQCZRNDMYRKWMJ-STQMWFEESA-N 1 2 327.457 3.698 20 0 EHADLO O=C(c1ccc(Cl)cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346009726 1022598141 /nfs/dbraw/zinc/59/81/41/1022598141.db2.gz KBWNIDZDMNYHRO-ZDUSSCGKSA-N 1 2 337.206 3.682 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000766 1022609198 /nfs/dbraw/zinc/60/91/98/1022609198.db2.gz OXCWHSSQGSALPV-HRQLYBHBSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000766 1022609207 /nfs/dbraw/zinc/60/92/07/1022609207.db2.gz OXCWHSSQGSALPV-HRQLYBHBSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3conc3Cc3ccccc3)nc12 ZINC000550156327 1022611879 /nfs/dbraw/zinc/61/18/79/1022611879.db2.gz SFBOASYXMXCJIE-UHFFFAOYSA-N 1 2 332.407 3.511 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2F)[C@@H](C)CO1 ZINC000441435009 1022664092 /nfs/dbraw/zinc/66/40/92/1022664092.db2.gz DHYFGBFXKLAJDY-JXFKEZNVSA-N 1 2 329.415 3.975 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2F)[C@@H](C)CO1 ZINC000441435009 1022664100 /nfs/dbraw/zinc/66/41/00/1022664100.db2.gz DHYFGBFXKLAJDY-JXFKEZNVSA-N 1 2 329.415 3.975 20 0 EHADLO C[N@H+](Cc1cnc2ccccn12)Cc1cc(Br)ccc1F ZINC000506234878 1022680499 /nfs/dbraw/zinc/68/04/99/1022680499.db2.gz SMABMFROHCTAOF-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cnc2ccccn12)Cc1cc(Br)ccc1F ZINC000506234878 1022680501 /nfs/dbraw/zinc/68/05/01/1022680501.db2.gz SMABMFROHCTAOF-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 ZINC000330834323 1022683677 /nfs/dbraw/zinc/68/36/77/1022683677.db2.gz HSJYZQHYYTZWNC-ONGXEEELSA-N 1 2 330.354 3.770 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CCC3CCC3)n2)O1 ZINC000665010476 1022709730 /nfs/dbraw/zinc/70/97/30/1022709730.db2.gz WRUICNZNOSNGKR-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CCC3CCC3)n2)O1 ZINC000665010476 1022709746 /nfs/dbraw/zinc/70/97/46/1022709746.db2.gz WRUICNZNOSNGKR-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000438476892 1022713175 /nfs/dbraw/zinc/71/31/75/1022713175.db2.gz JIVOWMLIROZKJD-PZJWPPBQSA-N 1 2 338.451 3.641 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000438476892 1022713187 /nfs/dbraw/zinc/71/31/87/1022713187.db2.gz JIVOWMLIROZKJD-PZJWPPBQSA-N 1 2 338.451 3.641 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)O1 ZINC000665012545 1022721897 /nfs/dbraw/zinc/72/18/97/1022721897.db2.gz QZJAVRICOVAJCR-ZSGPHXLJSA-N 1 2 339.439 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)O1 ZINC000665012545 1022721911 /nfs/dbraw/zinc/72/19/11/1022721911.db2.gz QZJAVRICOVAJCR-ZSGPHXLJSA-N 1 2 339.439 3.545 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3nccn3C3CC3)CC2)c1 ZINC000891784483 1022723629 /nfs/dbraw/zinc/72/36/29/1022723629.db2.gz YCFYPWWOWCKKJY-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000052754164 1022742162 /nfs/dbraw/zinc/74/21/62/1022742162.db2.gz MHCPYCFKUJCIKP-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO COCc1ccccc1/C=C(\C)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000510625739 1022784501 /nfs/dbraw/zinc/78/45/01/1022784501.db2.gz YNIBHSBHHVYFGM-NTCAYCPXSA-N 1 2 341.455 3.987 20 0 EHADLO Cc1cccc2oc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc21 ZINC000933708513 1022788358 /nfs/dbraw/zinc/78/83/58/1022788358.db2.gz LQQCNYWPAYTRRL-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1cccc2oc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc21 ZINC000933708513 1022788369 /nfs/dbraw/zinc/78/83/69/1022788369.db2.gz LQQCNYWPAYTRRL-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000684516357 1022789829 /nfs/dbraw/zinc/78/98/29/1022789829.db2.gz KDRNMEBRRHLIAT-MRXNPFEDSA-N 1 2 343.858 3.505 20 0 EHADLO CCc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000517898735 1022823683 /nfs/dbraw/zinc/82/36/83/1022823683.db2.gz SKUQIZLOVKAFTC-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c(C)c[nH+]1 ZINC001266899840 1022836600 /nfs/dbraw/zinc/83/66/00/1022836600.db2.gz RCKPLLGRJQWILW-INIZCTEOSA-N 1 2 326.440 3.958 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000441446747 1022841146 /nfs/dbraw/zinc/84/11/46/1022841146.db2.gz LQUZTUVEDMJPDM-CRAIPNDOSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1oc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000441446747 1022841160 /nfs/dbraw/zinc/84/11/60/1022841160.db2.gz LQUZTUVEDMJPDM-CRAIPNDOSA-N 1 2 343.423 3.645 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894772505 1022868200 /nfs/dbraw/zinc/86/82/00/1022868200.db2.gz MGDPJLHBHBURRU-ZDUSSCGKSA-N 1 2 333.455 3.729 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2CCC[C@H]21 ZINC000426092294 1022887227 /nfs/dbraw/zinc/88/72/27/1022887227.db2.gz QMYNXDWNQHXSQT-DZGCQCFKSA-N 1 2 334.489 3.535 20 0 EHADLO Fc1ccccc1-n1ccc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000189050954 1022938945 /nfs/dbraw/zinc/93/89/45/1022938945.db2.gz AZJPYHVRRUTMRW-UHFFFAOYSA-N 1 2 327.325 3.786 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000209248753 1022953672 /nfs/dbraw/zinc/95/36/72/1022953672.db2.gz JMQDWPHRMADYOI-POHAHGRESA-N 1 2 335.451 3.858 20 0 EHADLO COCCC1(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CCCCC1 ZINC000294101610 1022971850 /nfs/dbraw/zinc/97/18/50/1022971850.db2.gz JKVJUICUGOKFAL-OAHLLOKOSA-N 1 2 334.489 3.532 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ccncc2OCc2ccccc2)nn1C ZINC000294312405 1023009214 /nfs/dbraw/zinc/00/92/14/1023009214.db2.gz NYRAPHAMFGXZDD-INIZCTEOSA-N 1 2 336.439 3.553 20 0 EHADLO O=C1NCC[N@H+](CCCSCc2ccccc2)[C@H]1c1cccs1 ZINC000341685256 1023015344 /nfs/dbraw/zinc/01/53/44/1023015344.db2.gz FHDWJFNIJMALMO-KRWDZBQOSA-N 1 2 346.521 3.545 20 0 EHADLO O=C1NCC[N@@H+](CCCSCc2ccccc2)[C@H]1c1cccs1 ZINC000341685256 1023015353 /nfs/dbraw/zinc/01/53/53/1023015353.db2.gz FHDWJFNIJMALMO-KRWDZBQOSA-N 1 2 346.521 3.545 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000458991395 1023015452 /nfs/dbraw/zinc/01/54/52/1023015452.db2.gz VCBWIQUJDNUONR-DLBZAZTESA-N 1 2 332.492 3.519 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000509551331 1023029580 /nfs/dbraw/zinc/02/95/80/1023029580.db2.gz FBMBQFLLIKVLDL-MRXNPFEDSA-N 1 2 339.443 3.961 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](C)Cc2ccc(F)cc2F)s1 ZINC000506395260 1023059397 /nfs/dbraw/zinc/05/93/97/1023059397.db2.gz MYLMGMKSQWTIKH-UHFFFAOYSA-N 1 2 325.428 3.900 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](C)Cc2ccc(F)cc2F)s1 ZINC000506395260 1023059398 /nfs/dbraw/zinc/05/93/98/1023059398.db2.gz MYLMGMKSQWTIKH-UHFFFAOYSA-N 1 2 325.428 3.900 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536367407 1023069588 /nfs/dbraw/zinc/06/95/88/1023069588.db2.gz AZWDOEVUVQOMDG-LJQANCHMSA-N 1 2 328.481 3.620 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536367407 1023069595 /nfs/dbraw/zinc/06/95/95/1023069595.db2.gz AZWDOEVUVQOMDG-LJQANCHMSA-N 1 2 328.481 3.620 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1SC(F)(F)F)c1ncnn1C ZINC000926262628 1023105893 /nfs/dbraw/zinc/10/58/93/1023105893.db2.gz PTNHCFIRPBGGSN-VHSXEESVSA-N 1 2 330.379 3.839 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CF)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009888 1023106191 /nfs/dbraw/zinc/10/61/91/1023106191.db2.gz GSZALYNCZDQKGN-PKOBYXMFSA-N 1 2 336.426 3.607 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CF)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009888 1023106198 /nfs/dbraw/zinc/10/61/98/1023106198.db2.gz GSZALYNCZDQKGN-PKOBYXMFSA-N 1 2 336.426 3.607 20 0 EHADLO CCc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1-c1ccccc1C ZINC000518192511 1023113189 /nfs/dbraw/zinc/11/31/89/1023113189.db2.gz MYWIEXXLGJXZPN-HNNXBMFYSA-N 1 2 337.427 3.529 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cc(C)cc(Cl)c3)CC2)cs1 ZINC000507066053 1023115172 /nfs/dbraw/zinc/11/51/72/1023115172.db2.gz WMYPOAKGEZCBEW-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1OC(F)F ZINC000469518290 1023135039 /nfs/dbraw/zinc/13/50/39/1023135039.db2.gz BQSKVOKTSISEIJ-MRXNPFEDSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1OC(F)F ZINC000469518290 1023135045 /nfs/dbraw/zinc/13/50/45/1023135045.db2.gz BQSKVOKTSISEIJ-MRXNPFEDSA-N 1 2 346.377 3.809 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC=CC[C@H]3C)CC2)s1 ZINC000519591343 1023151915 /nfs/dbraw/zinc/15/19/15/1023151915.db2.gz LTXOWPPVSGJSED-CRAIPNDOSA-N 1 2 332.513 3.557 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000427007502 1023155624 /nfs/dbraw/zinc/15/56/24/1023155624.db2.gz HOACYEJULAUEHD-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000427007502 1023155630 /nfs/dbraw/zinc/15/56/30/1023155630.db2.gz HOACYEJULAUEHD-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000427001980 1023160318 /nfs/dbraw/zinc/16/03/18/1023160318.db2.gz MICHZRYNJLEDMB-JKSUJKDBSA-N 1 2 348.437 3.792 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000427001980 1023160321 /nfs/dbraw/zinc/16/03/21/1023160321.db2.gz MICHZRYNJLEDMB-JKSUJKDBSA-N 1 2 348.437 3.792 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C(F)(F)F)c(C)c1 ZINC000441486748 1023194388 /nfs/dbraw/zinc/19/43/88/1023194388.db2.gz BVLJGHGGFKUGRO-HIFRSBDPSA-N 1 2 339.361 3.556 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000130579896 1023198338 /nfs/dbraw/zinc/19/83/38/1023198338.db2.gz OEPPBKUTIKRSBK-LBPRGKRZSA-N 1 2 328.464 3.732 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000130579896 1023198343 /nfs/dbraw/zinc/19/83/43/1023198343.db2.gz OEPPBKUTIKRSBK-LBPRGKRZSA-N 1 2 328.464 3.732 20 0 EHADLO Brc1c2ccccc2oc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000664861051 1023198927 /nfs/dbraw/zinc/19/89/27/1023198927.db2.gz MCIJSLSACLZDGZ-UHFFFAOYSA-N 1 2 346.228 3.867 20 0 EHADLO Brc1c2ccccc2oc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000664861051 1023198931 /nfs/dbraw/zinc/19/89/31/1023198931.db2.gz MCIJSLSACLZDGZ-UHFFFAOYSA-N 1 2 346.228 3.867 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001143412376 1023211746 /nfs/dbraw/zinc/21/17/46/1023211746.db2.gz SZHYPVVKWQHAAW-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001143412376 1023211755 /nfs/dbraw/zinc/21/17/55/1023211755.db2.gz SZHYPVVKWQHAAW-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000079771062 1023220685 /nfs/dbraw/zinc/22/06/85/1023220685.db2.gz ODDPUANLVNBJDC-SFHVURJKSA-N 1 2 326.444 3.518 20 0 EHADLO Cc1cccc2sc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)nc21 ZINC000518309628 1023222854 /nfs/dbraw/zinc/22/28/54/1023222854.db2.gz ZJGHOGLFABVRQH-UHFFFAOYSA-N 1 2 336.420 3.742 20 0 EHADLO O=C(NCc1ccco1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036519 1023226195 /nfs/dbraw/zinc/22/61/95/1023226195.db2.gz YALDPNLITCLGHH-UHFFFAOYSA-N 1 2 336.395 3.801 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1 ZINC000341743598 1023229693 /nfs/dbraw/zinc/22/96/93/1023229693.db2.gz LRCVXRVAUKLZMP-CYBMUJFWSA-N 1 2 335.473 3.782 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)Cc2cccc(F)c2)c[nH+]1 ZINC000459068757 1023236551 /nfs/dbraw/zinc/23/65/51/1023236551.db2.gz DKSWEIHPZUZRAV-OAHLLOKOSA-N 1 2 329.419 3.610 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@@H]4CCc5ccccc5C4)no3)c2)c[nH+]1 ZINC000685318763 1033118974 /nfs/dbraw/zinc/11/89/74/1033118974.db2.gz KYDIMMOELKWHKW-MRXNPFEDSA-N 1 2 343.390 3.590 20 0 EHADLO CC(C)=CCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276928772 1023400995 /nfs/dbraw/zinc/40/09/95/1023400995.db2.gz IHPKHNWALCENHG-MRXNPFEDSA-N 1 2 331.460 3.558 20 0 EHADLO CSCc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000891920529 1023402378 /nfs/dbraw/zinc/40/23/78/1023402378.db2.gz FOUXWGOVGIBAMF-UHFFFAOYSA-N 1 2 343.418 3.940 20 0 EHADLO CSCc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000891920529 1023402383 /nfs/dbraw/zinc/40/23/83/1023402383.db2.gz FOUXWGOVGIBAMF-UHFFFAOYSA-N 1 2 343.418 3.940 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c(C)c[nH+]1 ZINC000535748854 1023605708 /nfs/dbraw/zinc/60/57/08/1023605708.db2.gz MZESUMVEGFQFRN-NSHDSACASA-N 1 2 339.222 3.833 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000535781885 1023630152 /nfs/dbraw/zinc/63/01/52/1023630152.db2.gz GIHGGPIWPFHHIH-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO Cc1cccc(C)c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341894813 1023667253 /nfs/dbraw/zinc/66/72/53/1023667253.db2.gz YLNQZDUZQSSMES-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(Br)c(Cl)c2)[nH]1 ZINC000277012609 1023699912 /nfs/dbraw/zinc/69/99/12/1023699912.db2.gz YLJRXACETFZRFC-QMMMGPOBSA-N 1 2 343.656 3.634 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)n1 ZINC000594008689 1033158101 /nfs/dbraw/zinc/15/81/01/1033158101.db2.gz UOVKCFBUOGWEHR-KGLIPLIRSA-N 1 2 332.473 3.577 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)n1 ZINC000594008689 1033158112 /nfs/dbraw/zinc/15/81/12/1033158112.db2.gz UOVKCFBUOGWEHR-KGLIPLIRSA-N 1 2 332.473 3.577 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCc1noc2ccccc12)C1CC1 ZINC000594013475 1033158902 /nfs/dbraw/zinc/15/89/02/1033158902.db2.gz XISKFSZFIZSFLT-ZDUSSCGKSA-N 1 2 330.428 3.565 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCc1noc2ccccc12)C1CC1 ZINC000594013475 1033158912 /nfs/dbraw/zinc/15/89/12/1033158912.db2.gz XISKFSZFIZSFLT-ZDUSSCGKSA-N 1 2 330.428 3.565 20 0 EHADLO O=C(CCCOc1cccc(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000342006100 1023755350 /nfs/dbraw/zinc/75/53/50/1023755350.db2.gz AVHFENDQEYQHAL-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1c(=O)oc2ccccc21 ZINC000054547757 1033164294 /nfs/dbraw/zinc/16/42/94/1033164294.db2.gz BIFNBWGYMGIRNX-UHFFFAOYSA-N 1 2 336.313 3.703 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1c(=O)oc2ccccc21 ZINC000054547757 1033164307 /nfs/dbraw/zinc/16/43/07/1033164307.db2.gz BIFNBWGYMGIRNX-UHFFFAOYSA-N 1 2 336.313 3.703 20 0 EHADLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000363527830 1033164572 /nfs/dbraw/zinc/16/45/72/1033164572.db2.gz XPAQJTXNKWIEDX-QGZVFWFLSA-N 1 2 347.528 3.778 20 0 EHADLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000363527830 1033164588 /nfs/dbraw/zinc/16/45/88/1033164588.db2.gz XPAQJTXNKWIEDX-QGZVFWFLSA-N 1 2 347.528 3.778 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cn(C(C)C)nn3)oc21 ZINC000342085509 1023893374 /nfs/dbraw/zinc/89/33/74/1023893374.db2.gz NPDWNUJIJLYSOO-ZDUSSCGKSA-N 1 2 328.416 3.855 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)Cc2cccc(OC(C)C)c2)s1 ZINC000602797309 1033169946 /nfs/dbraw/zinc/16/99/46/1033169946.db2.gz UUHQETCDZUTDRS-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)s1 ZINC000602797309 1033169953 /nfs/dbraw/zinc/16/99/53/1033169953.db2.gz UUHQETCDZUTDRS-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247696611 1023899597 /nfs/dbraw/zinc/89/95/97/1023899597.db2.gz WVXPOSRREGIIAT-BTYIYWSLSA-N 1 2 333.435 3.900 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247696611 1023899604 /nfs/dbraw/zinc/89/96/04/1023899604.db2.gz WVXPOSRREGIIAT-BTYIYWSLSA-N 1 2 333.435 3.900 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2C)c2cc(Br)cc(F)c2n1 ZINC000574448195 1033172443 /nfs/dbraw/zinc/17/24/43/1033172443.db2.gz YBXASRDBDBLVMY-UHFFFAOYSA-N 1 2 349.207 3.790 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535885560 1023941353 /nfs/dbraw/zinc/94/13/53/1023941353.db2.gz MFQBTJDYRBYIDQ-AEFFLSMTSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535885560 1023941359 /nfs/dbraw/zinc/94/13/59/1023941359.db2.gz MFQBTJDYRBYIDQ-AEFFLSMTSA-N 1 2 338.854 3.921 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468408 1033175784 /nfs/dbraw/zinc/17/57/84/1033175784.db2.gz SSXGNXMXASFPCY-MRXNPFEDSA-N 1 2 348.422 3.657 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000190777027 1023968290 /nfs/dbraw/zinc/96/82/90/1023968290.db2.gz VLJUWEZVBXCLPY-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000190777027 1023968302 /nfs/dbraw/zinc/96/83/02/1023968302.db2.gz VLJUWEZVBXCLPY-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO CCC(CC)(CNC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000513928653 1023976217 /nfs/dbraw/zinc/97/62/17/1023976217.db2.gz WWYXDSQJYYUTDX-UHFFFAOYSA-N 1 2 348.878 3.594 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc2cc[nH]c21 ZINC000548506697 1023979563 /nfs/dbraw/zinc/97/95/63/1023979563.db2.gz GAJKONZPULXFHR-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000150898521 1023981158 /nfs/dbraw/zinc/98/11/58/1023981158.db2.gz JFNLHLVHBPUISA-HNNXBMFYSA-N 1 2 337.398 3.740 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc(C)c1 ZINC000513961718 1024007889 /nfs/dbraw/zinc/00/78/89/1024007889.db2.gz JLUMEGRHSVVGFU-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc(C)c1 ZINC000513961718 1024007906 /nfs/dbraw/zinc/00/79/06/1024007906.db2.gz JLUMEGRHSVVGFU-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccccc3)no2)CC2(CCCC2)O1 ZINC000190957746 1024008926 /nfs/dbraw/zinc/00/89/26/1024008926.db2.gz YCJJZGYSEJOYOE-UHFFFAOYSA-N 1 2 327.428 3.660 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccccc3)no2)CC2(CCCC2)O1 ZINC000190957746 1024008938 /nfs/dbraw/zinc/00/89/38/1024008938.db2.gz YCJJZGYSEJOYOE-UHFFFAOYSA-N 1 2 327.428 3.660 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)sc1C ZINC000192465179 1024026190 /nfs/dbraw/zinc/02/61/90/1024026190.db2.gz AJMCNQWGHLCWTA-UHFFFAOYSA-N 1 2 332.444 3.994 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)cc1Br ZINC001141927920 1024029908 /nfs/dbraw/zinc/02/99/08/1024029908.db2.gz QBKUXHNVCUPBRV-XPTSAGLGSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)cc1Br ZINC001141927920 1024029924 /nfs/dbraw/zinc/02/99/24/1024029924.db2.gz QBKUXHNVCUPBRV-XPTSAGLGSA-N 1 2 348.643 3.852 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCOC[C@@H](C)C1 ZINC000513987974 1024033308 /nfs/dbraw/zinc/03/33/08/1024033308.db2.gz SCSPARZPSVOKDE-AWEZNQCLSA-N 1 2 342.439 3.501 20 0 EHADLO CCc1ccsc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999492 1024042272 /nfs/dbraw/zinc/04/22/72/1024042272.db2.gz MYIUQJTXDMCUSZ-HNNXBMFYSA-N 1 2 334.872 3.751 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000505422204 1024044095 /nfs/dbraw/zinc/04/40/95/1024044095.db2.gz OYTPXDDIWPECSS-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000505422204 1024044104 /nfs/dbraw/zinc/04/41/04/1024044104.db2.gz OYTPXDDIWPECSS-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2C)nc1C ZINC000602811049 1033185909 /nfs/dbraw/zinc/18/59/09/1033185909.db2.gz WNOLWNJFOXOVIZ-CQSZACIVSA-N 1 2 347.484 3.799 20 0 EHADLO CC(C)CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099775 1024056728 /nfs/dbraw/zinc/05/67/28/1024056728.db2.gz BULYPMNXLGZQQH-OAHLLOKOSA-N 1 2 326.843 3.778 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)O4)c12 ZINC000443510491 1024059730 /nfs/dbraw/zinc/05/97/30/1024059730.db2.gz OBMBSWHUIJYSQG-AOOOYVTPSA-N 1 2 337.192 3.504 20 0 EHADLO CC(=O)Nc1ccc2c(c1)CN(c1cc(C)[nH+]c(C3CCC3)n1)CC2 ZINC000895079713 1024071943 /nfs/dbraw/zinc/07/19/43/1024071943.db2.gz MPKZMQXOJALDBB-UHFFFAOYSA-N 1 2 336.439 3.574 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000443857529 1024073022 /nfs/dbraw/zinc/07/30/22/1024073022.db2.gz TTWINYBSQJFJLP-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000443857529 1024073034 /nfs/dbraw/zinc/07/30/34/1024073034.db2.gz TTWINYBSQJFJLP-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO COc1ccccc1CCCNc1ccccc1C[NH+]1CCOCC1 ZINC000182477454 1024079913 /nfs/dbraw/zinc/07/99/13/1024079913.db2.gz PBUHKSVQYJNDSV-UHFFFAOYSA-N 1 2 340.467 3.572 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000522238256 1024084403 /nfs/dbraw/zinc/08/44/03/1024084403.db2.gz CTPNDKQXUPYBQJ-LJQANCHMSA-N 1 2 349.434 3.558 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000151327524 1024100609 /nfs/dbraw/zinc/10/06/09/1024100609.db2.gz RKAUMPQOMOALBF-QUCCMNQESA-N 1 2 339.483 3.912 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H]3c3ccncc3)nc(N)c2c1C ZINC000093222526 1024101386 /nfs/dbraw/zinc/10/13/86/1024101386.db2.gz RKOPUPBZDYQJFI-AWEZNQCLSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H]3c3ccncc3)nc(N)c2c1C ZINC000093222526 1024101393 /nfs/dbraw/zinc/10/13/93/1024101393.db2.gz RKOPUPBZDYQJFI-AWEZNQCLSA-N 1 2 339.468 3.622 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000522627453 1024116374 /nfs/dbraw/zinc/11/63/74/1024116374.db2.gz IHXDBZIRLXQAKI-IYBDPMFKSA-N 1 2 347.503 3.996 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000522627453 1024116381 /nfs/dbraw/zinc/11/63/81/1024116381.db2.gz IHXDBZIRLXQAKI-IYBDPMFKSA-N 1 2 347.503 3.996 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151573267 1024168560 /nfs/dbraw/zinc/16/85/60/1024168560.db2.gz SHIFUYVPLWAFFU-INIZCTEOSA-N 1 2 340.471 3.778 20 0 EHADLO O=C(NCC1CCC(c2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152362700 1024198288 /nfs/dbraw/zinc/19/82/88/1024198288.db2.gz OXBCTCVAJFZVDV-KVZIAJEVSA-N 1 2 337.467 3.536 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000434614229 1024201596 /nfs/dbraw/zinc/20/15/96/1024201596.db2.gz HWQGBKSEDGZXGC-IBGZPJMESA-N 1 2 330.451 3.973 20 0 EHADLO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000434614229 1024201605 /nfs/dbraw/zinc/20/16/05/1024201605.db2.gz HWQGBKSEDGZXGC-IBGZPJMESA-N 1 2 330.451 3.973 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)c(F)c1F ZINC001141751719 1024211715 /nfs/dbraw/zinc/21/17/15/1024211715.db2.gz FOONQVIGSOUJGK-FOSCPWQOSA-N 1 2 346.215 3.869 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c(F)c1F ZINC001141751719 1024211702 /nfs/dbraw/zinc/21/17/02/1024211702.db2.gz FOONQVIGSOUJGK-FOSCPWQOSA-N 1 2 346.215 3.869 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2)CC[NH2+]1 ZINC000505454146 1024241143 /nfs/dbraw/zinc/24/11/43/1024241143.db2.gz UCMKRUKCSRNNGD-IBGZPJMESA-N 1 2 338.451 3.605 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CCC[C@@]1(C)O ZINC001141769678 1024320524 /nfs/dbraw/zinc/32/05/24/1024320524.db2.gz XRXNWXNVJTYTKV-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)CCC(C)(C)C)CC[NH2+]1 ZINC000505476607 1024320378 /nfs/dbraw/zinc/32/03/78/1024320378.db2.gz MXSPLMCRAHLXSK-DOTOQJQBSA-N 1 2 332.488 3.631 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CCC[C@@]1(C)O ZINC001141769678 1024320515 /nfs/dbraw/zinc/32/05/15/1024320515.db2.gz XRXNWXNVJTYTKV-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCc3cc(F)ccc3C2)cn1 ZINC000430077066 1024336494 /nfs/dbraw/zinc/33/64/94/1024336494.db2.gz OFPCMWDZYBWKBC-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCc3cc(F)ccc3C2)cn1 ZINC000430077066 1024336512 /nfs/dbraw/zinc/33/65/12/1024336512.db2.gz OFPCMWDZYBWKBC-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO Clc1cnc2nc(N3CCC(Nc4cccc[nH+]4)CC3)ccc2c1 ZINC000895347866 1024351771 /nfs/dbraw/zinc/35/17/71/1024351771.db2.gz TYXILYGBLRYBAP-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000193878725 1024352761 /nfs/dbraw/zinc/35/27/61/1024352761.db2.gz SMTMKBZIYLOFNO-NSHDSACASA-N 1 2 337.370 3.515 20 0 EHADLO C[C@H]1CCCC[C@@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000520656031 1024353938 /nfs/dbraw/zinc/35/39/38/1024353938.db2.gz DMJYQEQLWPDJEG-RDJZCZTQSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1CCCC[C@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000520656030 1024355511 /nfs/dbraw/zinc/35/55/11/1024355511.db2.gz DMJYQEQLWPDJEG-NVXWUHKLSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H](C)C1 ZINC000425172362 1024376881 /nfs/dbraw/zinc/37/68/81/1024376881.db2.gz AKGIUKMPGYOJSG-AHCXZYCDSA-N 1 2 325.456 3.873 20 0 EHADLO CSCC[C@@H](C)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425178573 1024391389 /nfs/dbraw/zinc/39/13/89/1024391389.db2.gz LWOYKWBPJAKRTB-GDBMZVCRSA-N 1 2 331.485 3.532 20 0 EHADLO Cc1ccc(CN(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000425192601 1024431526 /nfs/dbraw/zinc/43/15/26/1024431526.db2.gz DULVWZZINQGIOV-KRWDZBQOSA-N 1 2 339.464 3.960 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000895387128 1024445469 /nfs/dbraw/zinc/44/54/69/1024445469.db2.gz JWQPJEZQDAQCMD-CQSZACIVSA-N 1 2 325.309 3.688 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c(C)[nH+]1 ZINC000097040369 1024467783 /nfs/dbraw/zinc/46/77/83/1024467783.db2.gz VEBPJZBLMLFIDL-UHFFFAOYSA-N 1 2 346.814 3.613 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)[nH]1 ZINC000277288704 1024467873 /nfs/dbraw/zinc/46/78/73/1024467873.db2.gz RAINMADVNSETCK-RWMBFGLXSA-N 1 2 333.455 3.935 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505557336 1024474820 /nfs/dbraw/zinc/47/48/20/1024474820.db2.gz IOINLFPVVMVUOJ-LJQANCHMSA-N 1 2 340.442 3.910 20 0 EHADLO CCc1occc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000282006516 1024475503 /nfs/dbraw/zinc/47/55/03/1024475503.db2.gz OZGLSGNXYRGDJA-HUUCEWRRSA-N 1 2 342.439 3.704 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425241896 1024506791 /nfs/dbraw/zinc/50/67/91/1024506791.db2.gz NYWAOEUBRPWKLQ-IRXDYDNUSA-N 1 2 325.456 3.826 20 0 EHADLO c1csc(-c2nc3ccccc3c(NCCNc3cccc[nH+]3)n2)c1 ZINC000514518001 1024532016 /nfs/dbraw/zinc/53/20/16/1024532016.db2.gz CQLLPZFXUWHAKP-UHFFFAOYSA-N 1 2 347.447 3.699 20 0 EHADLO CCn1nc(CNC[C@@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc21 ZINC000472062525 1024542399 /nfs/dbraw/zinc/54/23/99/1024542399.db2.gz KJFAKKGVLGKATQ-FQEVSTJZSA-N 1 2 340.446 3.588 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[C@@H](C)C1 ZINC000459181718 1024547381 /nfs/dbraw/zinc/54/73/81/1024547381.db2.gz XWSQAFWVELREQI-OWCLPIDISA-N 1 2 332.492 3.576 20 0 EHADLO Cc1ccccc1CN(Cc1c[nH+]cn1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000435035313 1024558461 /nfs/dbraw/zinc/55/84/61/1024558461.db2.gz PUGGLPGNOSTMDC-UHFFFAOYSA-N 1 2 347.422 3.517 20 0 EHADLO Fc1cccc2c1OCC[N@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000435036137 1024558713 /nfs/dbraw/zinc/55/87/13/1024558713.db2.gz SXAQWCBXUXSYJV-UHFFFAOYSA-N 1 2 329.400 3.672 20 0 EHADLO Fc1cccc2c1OCC[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000435036137 1024558721 /nfs/dbraw/zinc/55/87/21/1024558721.db2.gz SXAQWCBXUXSYJV-UHFFFAOYSA-N 1 2 329.400 3.672 20 0 EHADLO CNc1ccc(Cl)c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000342251102 1024577681 /nfs/dbraw/zinc/57/76/81/1024577681.db2.gz ZMSGLMKPFNBWIM-UHFFFAOYSA-N 1 2 347.846 3.674 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665198400 1024621670 /nfs/dbraw/zinc/62/16/70/1024621670.db2.gz UWQPWMUVSUKYDA-ZDUSSCGKSA-N 1 2 342.830 3.804 20 0 EHADLO Cc1cc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)nc(C2CC2)[nH+]1 ZINC000190842993 1024624660 /nfs/dbraw/zinc/62/46/60/1024624660.db2.gz SOJCTBDAXWDIQL-GFCCVEGCSA-N 1 2 342.409 3.737 20 0 EHADLO CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001625933598 1024625954 /nfs/dbraw/zinc/62/59/54/1024625954.db2.gz ZEMGQGGJXFZGOM-LSDHHAIUSA-N 1 2 331.435 3.597 20 0 EHADLO CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001625933598 1024625966 /nfs/dbraw/zinc/62/59/66/1024625966.db2.gz ZEMGQGGJXFZGOM-LSDHHAIUSA-N 1 2 331.435 3.597 20 0 EHADLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)sc2nccc(C)c12 ZINC000346304322 1024629624 /nfs/dbraw/zinc/62/96/24/1024629624.db2.gz ZOZZCQZXYOLQCR-UHFFFAOYSA-N 1 2 340.452 3.540 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000895587050 1024631926 /nfs/dbraw/zinc/63/19/26/1024631926.db2.gz GQQOTOUDDNVQIZ-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1cc(F)ncc1C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000895587050 1024631934 /nfs/dbraw/zinc/63/19/34/1024631934.db2.gz GQQOTOUDDNVQIZ-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO CCCc1ccc([C@H]([NH2+]Cc2nc(CCOC)no2)C(C)C)cc1 ZINC000505615189 1024651374 /nfs/dbraw/zinc/65/13/74/1024651374.db2.gz WAPQYKXKJOHPCX-LJQANCHMSA-N 1 2 331.460 3.698 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1[C@H](C)C1CC1 ZINC000346329408 1024653772 /nfs/dbraw/zinc/65/37/72/1024653772.db2.gz GGDGVQLLLVURNT-CQSZACIVSA-N 1 2 335.411 3.601 20 0 EHADLO CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000346332251 1024655656 /nfs/dbraw/zinc/65/56/56/1024655656.db2.gz IIYGQQBRCSPUFM-AWEZNQCLSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(-c4ccco4)s3)n2)C1 ZINC000349850262 1024671835 /nfs/dbraw/zinc/67/18/35/1024671835.db2.gz LJSHPAGPGWRVCU-CYBMUJFWSA-N 1 2 345.424 3.840 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(-c4ccco4)s3)n2)C1 ZINC000349850262 1024671844 /nfs/dbraw/zinc/67/18/44/1024671844.db2.gz LJSHPAGPGWRVCU-CYBMUJFWSA-N 1 2 345.424 3.840 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(C3CCC3)c2)[C@@H](C)CO1 ZINC000892098485 1024675598 /nfs/dbraw/zinc/67/55/98/1024675598.db2.gz FFVICIYPEDSKQY-OXJNMPFZSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)[C@@H](C)CO1 ZINC000892098485 1024675601 /nfs/dbraw/zinc/67/56/01/1024675601.db2.gz FFVICIYPEDSKQY-OXJNMPFZSA-N 1 2 325.456 3.879 20 0 EHADLO COc1cncc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885169 1024694778 /nfs/dbraw/zinc/69/47/78/1024694778.db2.gz LUWOFMSDSWKBCU-IAGOWNOFSA-N 1 2 336.395 3.696 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCCc3c(NC(C)=O)cccc32)c1C ZINC000346412095 1024699992 /nfs/dbraw/zinc/69/99/92/1024699992.db2.gz QAXKJBFPNAHGSC-UHFFFAOYSA-N 1 2 339.439 3.618 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000346416308 1024704535 /nfs/dbraw/zinc/70/45/35/1024704535.db2.gz JTLBJQVYAIIESF-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cccc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000346416308 1024704542 /nfs/dbraw/zinc/70/45/42/1024704542.db2.gz JTLBJQVYAIIESF-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000346435054 1024731431 /nfs/dbraw/zinc/73/14/31/1024731431.db2.gz UCAYJEZEMHUZPW-SJCJKPOMSA-N 1 2 331.847 3.926 20 0 EHADLO C[C@@H](CCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000151822301 1024748905 /nfs/dbraw/zinc/74/89/05/1024748905.db2.gz LIDRFFAUKOHGSC-ZWKOTPCHSA-N 1 2 339.483 3.785 20 0 EHADLO CC[C@@H]1CCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425315543 1024751544 /nfs/dbraw/zinc/75/15/44/1024751544.db2.gz ORJAEIRDNFOLNB-BPQIPLTHSA-N 1 2 325.456 3.874 20 0 EHADLO CC(C)[C@H]1N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425315381 1024751884 /nfs/dbraw/zinc/75/18/84/1024751884.db2.gz OJPIFUBFYWUHHM-IEBWSBKVSA-N 1 2 337.467 3.969 20 0 EHADLO C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000427745703 1024762605 /nfs/dbraw/zinc/76/26/05/1024762605.db2.gz XVINBUOEOXLNAV-ZDUSSCGKSA-N 1 2 339.361 3.782 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594177039 1033237582 /nfs/dbraw/zinc/23/75/82/1033237582.db2.gz MJNLSOWVZTWLGJ-LEWJYISDSA-N 1 2 344.414 3.628 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000425331074 1024769547 /nfs/dbraw/zinc/76/95/47/1024769547.db2.gz WSLVPHHWGYBKHL-UHFFFAOYSA-N 1 2 338.442 3.934 20 0 EHADLO Fc1cc2[nH+]ccc(N[C@@H]3C[C@H]4CC[C@@H]3O4)c2cc1Br ZINC000450339110 1024791287 /nfs/dbraw/zinc/79/12/87/1024791287.db2.gz NWPITNCKNVIAHE-BKQRNIBNSA-N 1 2 337.192 3.868 20 0 EHADLO CN(Cc1cccc2[nH]ccc21)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000427785990 1024793438 /nfs/dbraw/zinc/79/34/38/1024793438.db2.gz XYOXJMSLEKODRQ-UHFFFAOYSA-N 1 2 330.391 3.626 20 0 EHADLO c1cn(-c2csc(CNc3ccc(N4CCCC4)c[nH+]3)c2)cn1 ZINC000425341539 1024801088 /nfs/dbraw/zinc/80/10/88/1024801088.db2.gz DDSJHFDJDGUNTE-UHFFFAOYSA-N 1 2 325.441 3.541 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000346519857 1024822436 /nfs/dbraw/zinc/82/24/36/1024822436.db2.gz BYMHKDBVKLOVBG-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000346519857 1024822457 /nfs/dbraw/zinc/82/24/57/1024822457.db2.gz BYMHKDBVKLOVBG-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1Cl ZINC000892117729 1024828611 /nfs/dbraw/zinc/82/86/11/1024828611.db2.gz PVEOUORQGBLLIX-OAHLLOKOSA-N 1 2 331.847 3.619 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1Cl ZINC000892117729 1024828626 /nfs/dbraw/zinc/82/86/26/1024828626.db2.gz PVEOUORQGBLLIX-OAHLLOKOSA-N 1 2 331.847 3.619 20 0 EHADLO COCc1csc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000657304828 1024849518 /nfs/dbraw/zinc/84/95/18/1024849518.db2.gz ISZZCUVIEKVSDE-QGZVFWFLSA-N 1 2 345.443 3.646 20 0 EHADLO COc1cc(C[N@H+](C)Cc2coc(-c3ccccc3)n2)cc(OC)c1 ZINC000508026611 1024854913 /nfs/dbraw/zinc/85/49/13/1024854913.db2.gz JLTOMZHQAKGJHG-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc(OC)c1 ZINC000508026611 1024854936 /nfs/dbraw/zinc/85/49/36/1024854936.db2.gz JLTOMZHQAKGJHG-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000157312471 1024861691 /nfs/dbraw/zinc/86/16/91/1024861691.db2.gz PZTJGWYVLIIRPQ-SECBINFHSA-N 1 2 348.419 3.502 20 0 EHADLO Cc1cccc(CC(=O)NCCCCNc2cccc[nH+]2)c1Cl ZINC000277393818 1024902730 /nfs/dbraw/zinc/90/27/30/1024902730.db2.gz YMHYDVSROFPNEW-UHFFFAOYSA-N 1 2 331.847 3.594 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000895836076 1024903016 /nfs/dbraw/zinc/90/30/16/1024903016.db2.gz JCMZLWYKGDSEQB-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000895836076 1024903022 /nfs/dbraw/zinc/90/30/22/1024903022.db2.gz JCMZLWYKGDSEQB-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO CCn1cc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)nn1 ZINC000895860777 1024903408 /nfs/dbraw/zinc/90/34/08/1024903408.db2.gz HBKZMKYLOWGNFX-SFHVURJKSA-N 1 2 338.459 3.586 20 0 EHADLO COC(=O)c1conc1C(C)(C)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC000425375730 1024906360 /nfs/dbraw/zinc/90/63/60/1024906360.db2.gz UIXPSFFYBPEGIA-PLNGDYQASA-N 1 2 334.803 3.653 20 0 EHADLO CCc1ccc(C[N@H+](CCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000071951818 1024908868 /nfs/dbraw/zinc/90/88/68/1024908868.db2.gz CIIHSGKYYXTKMY-UHFFFAOYSA-N 1 2 343.492 3.687 20 0 EHADLO CCc1ccc(C[N@@H+](CCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000071951818 1024908880 /nfs/dbraw/zinc/90/88/80/1024908880.db2.gz CIIHSGKYYXTKMY-UHFFFAOYSA-N 1 2 343.492 3.687 20 0 EHADLO C[C@H](CC(=O)N[C@H](C)c1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000514941878 1024915752 /nfs/dbraw/zinc/91/57/52/1024915752.db2.gz JUBDORVBGJJCST-VXGBXAGGSA-N 1 2 325.334 3.730 20 0 EHADLO Cc1cc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435449597 1024919289 /nfs/dbraw/zinc/91/92/89/1024919289.db2.gz TWOAXYKWINBDDZ-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1cc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435449597 1024919294 /nfs/dbraw/zinc/91/92/94/1024919294.db2.gz TWOAXYKWINBDDZ-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO CC[C@H](Nc1cc(CC(=O)OC)cc[nH+]1)c1cc(F)ccc1OC ZINC000895879917 1024925317 /nfs/dbraw/zinc/92/53/17/1024925317.db2.gz NWERTNVKXMRWRC-HNNXBMFYSA-N 1 2 332.375 3.508 20 0 EHADLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000563216611 1024932244 /nfs/dbraw/zinc/93/22/44/1024932244.db2.gz KJZSJEVGAMWLMX-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000563216611 1024932256 /nfs/dbraw/zinc/93/22/56/1024932256.db2.gz KJZSJEVGAMWLMX-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(N(C)c3ccccc3)ncn1)CCC2 ZINC000514989120 1024961181 /nfs/dbraw/zinc/96/11/81/1024961181.db2.gz BXOYLZUPSCADIF-MRXNPFEDSA-N 1 2 348.454 3.739 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c[nH+]1 ZINC000895905515 1024964520 /nfs/dbraw/zinc/96/45/20/1024964520.db2.gz JBMTVRALGZULDT-HNNXBMFYSA-N 1 2 327.472 3.799 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)[C@@H]1CCc1ccccc1 ZINC000895909396 1024968671 /nfs/dbraw/zinc/96/86/71/1024968671.db2.gz OFCPORHANVWQHA-HUUCEWRRSA-N 1 2 336.888 3.755 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)[C@@H]1CCc1ccccc1 ZINC000895909396 1024968683 /nfs/dbraw/zinc/96/86/83/1024968683.db2.gz OFCPORHANVWQHA-HUUCEWRRSA-N 1 2 336.888 3.755 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)C)c(C)c1 ZINC000428109021 1024997275 /nfs/dbraw/zinc/99/72/75/1024997275.db2.gz VQQXUTJMRLRZQQ-SFHVURJKSA-N 1 2 328.460 3.587 20 0 EHADLO C[C@H](N1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1)C(F)(F)F ZINC001167525754 1025011312 /nfs/dbraw/zinc/01/13/12/1025011312.db2.gz IZJWBBRZVXFDBH-AWEZNQCLSA-N 1 2 344.421 3.932 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1F ZINC000120076962 1033254694 /nfs/dbraw/zinc/25/46/94/1033254694.db2.gz LRYBLFKNFXNHMX-HOTGVXAUSA-N 1 2 343.446 3.534 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)ncn1 ZINC000428219057 1025054072 /nfs/dbraw/zinc/05/40/72/1025054072.db2.gz LMPZHSTZFALNJP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)ncn1 ZINC000428219057 1025054083 /nfs/dbraw/zinc/05/40/83/1025054083.db2.gz LMPZHSTZFALNJP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435664459 1025055891 /nfs/dbraw/zinc/05/58/91/1025055891.db2.gz RMJOSLJEXPBXBB-MISYRCLQSA-N 1 2 341.426 3.836 20 0 EHADLO C[N@H+](Cc1ccco1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000113252131 1025057834 /nfs/dbraw/zinc/05/78/34/1025057834.db2.gz YBKCYTOFEBCNAG-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccco1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000113252131 1025057843 /nfs/dbraw/zinc/05/78/43/1025057843.db2.gz YBKCYTOFEBCNAG-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@]1=O ZINC000277425675 1025065448 /nfs/dbraw/zinc/06/54/48/1025065448.db2.gz IKDYYQQNMHKCTQ-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@]1=O ZINC000277425675 1025065461 /nfs/dbraw/zinc/06/54/61/1025065461.db2.gz IKDYYQQNMHKCTQ-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000896010406 1025070453 /nfs/dbraw/zinc/07/04/53/1025070453.db2.gz PMZJVYQONDAXHY-UHFFFAOYSA-N 1 2 346.843 3.624 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346736627 1025071626 /nfs/dbraw/zinc/07/16/26/1025071626.db2.gz MCJJUANUOXWNFR-FOIQADDNSA-N 1 2 331.419 3.595 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000515177753 1025074607 /nfs/dbraw/zinc/07/46/07/1025074607.db2.gz NEQNHCTZEDDOBU-ZTFGCOKTSA-N 1 2 341.430 3.864 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000435688339 1025081118 /nfs/dbraw/zinc/08/11/18/1025081118.db2.gz OFJYGCUZLJUKJE-QFBILLFUSA-N 1 2 346.434 3.633 20 0 EHADLO CN=[S@@](C)(=O)c1cccc(NCc2cc(C)[nH+]c3c2CCCC3)c1 ZINC000896037928 1025101354 /nfs/dbraw/zinc/10/13/54/1025101354.db2.gz DFYZHKRERAYYAX-DEOSSOPVSA-N 1 2 343.496 3.967 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761052312 1033259207 /nfs/dbraw/zinc/25/92/07/1033259207.db2.gz XGKQBVLGXCYAJI-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761052312 1033259217 /nfs/dbraw/zinc/25/92/17/1033259217.db2.gz XGKQBVLGXCYAJI-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3oc(C(C)C)nc3C)CC2)sc1C ZINC000428296793 1025106081 /nfs/dbraw/zinc/10/60/81/1025106081.db2.gz RDLMTXOLNQMLIR-UHFFFAOYSA-N 1 2 334.489 3.502 20 0 EHADLO CC1(C)CO[C@H](CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000896087297 1025131432 /nfs/dbraw/zinc/13/14/32/1025131432.db2.gz LGWQSGUHAVXCIG-MRXNPFEDSA-N 1 2 338.411 3.670 20 0 EHADLO CCCC/C=C/CC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270013141 1025136005 /nfs/dbraw/zinc/13/60/05/1025136005.db2.gz ORPHOWSNQASPPP-AATRIKPKSA-N 1 2 332.410 3.752 20 0 EHADLO CCCC/C=C/CC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270013141 1025136009 /nfs/dbraw/zinc/13/60/09/1025136009.db2.gz ORPHOWSNQASPPP-AATRIKPKSA-N 1 2 332.410 3.752 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000469719586 1025141906 /nfs/dbraw/zinc/14/19/06/1025141906.db2.gz YRQWZELUZWTRHV-OAHLLOKOSA-N 1 2 349.548 3.991 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000469719586 1025141911 /nfs/dbraw/zinc/14/19/11/1025141911.db2.gz YRQWZELUZWTRHV-OAHLLOKOSA-N 1 2 349.548 3.991 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C3CC3)nn2C)C(C)(C)C)cc1 ZINC000515349376 1025184308 /nfs/dbraw/zinc/18/43/08/1025184308.db2.gz HQBCCGRQZGHYNB-UHFFFAOYSA-N 1 2 328.460 3.502 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C3CC3)nn2C)C(C)(C)C)cc1 ZINC000515349376 1025184312 /nfs/dbraw/zinc/18/43/12/1025184312.db2.gz HQBCCGRQZGHYNB-UHFFFAOYSA-N 1 2 328.460 3.502 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)no2)cc1 ZINC000521119785 1025210516 /nfs/dbraw/zinc/21/05/16/1025210516.db2.gz XXNUTMWEDCIMLP-NRFANRHFSA-N 1 2 347.418 3.706 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)no2)cc1 ZINC000521119785 1025210529 /nfs/dbraw/zinc/21/05/29/1025210529.db2.gz XXNUTMWEDCIMLP-NRFANRHFSA-N 1 2 347.418 3.706 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)C(C)(C)C ZINC000897995581 1033267156 /nfs/dbraw/zinc/26/71/56/1033267156.db2.gz QNPGWTQXLOYZFH-INIZCTEOSA-N 1 2 347.484 3.769 20 0 EHADLO CS[C@H](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277475120 1025253702 /nfs/dbraw/zinc/25/37/02/1025253702.db2.gz BCFHMUNDIIZHBO-CYBMUJFWSA-N 1 2 329.469 3.967 20 0 EHADLO C[C@@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)CC(C)(C)C ZINC000190983240 1025264458 /nfs/dbraw/zinc/26/44/58/1025264458.db2.gz HNOBRPRQEFKIJM-IRXDYDNUSA-N 1 2 348.535 3.847 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(F)c1F ZINC000281612216 1025277340 /nfs/dbraw/zinc/27/73/40/1025277340.db2.gz KUDRVXXNMIXOQK-UHFFFAOYSA-N 1 2 339.336 3.528 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)C(C)(C)C ZINC000934290000 1025279194 /nfs/dbraw/zinc/27/91/94/1025279194.db2.gz UCNOCWGHIBSFHH-FQEVSTJZSA-N 1 2 349.482 3.907 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CO2 ZINC000342414357 1025295220 /nfs/dbraw/zinc/29/52/20/1025295220.db2.gz GTBKPMPGKKXCPZ-INIZCTEOSA-N 1 2 325.799 3.749 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1c[nH]nc1-c1ccsc1 ZINC000436003783 1025301011 /nfs/dbraw/zinc/30/10/11/1025301011.db2.gz BNYKVOOMDVUSIA-UHFFFAOYSA-N 1 2 343.843 3.712 20 0 EHADLO CCn1nc(CNc2[nH+]c3cc(F)ccc3n2CC)c2ccccc21 ZINC000436023603 1025308123 /nfs/dbraw/zinc/30/81/23/1025308123.db2.gz QDZDFYYXIFWPIA-UHFFFAOYSA-N 1 2 337.402 3.599 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c[nH+]1 ZINC000896301559 1025326488 /nfs/dbraw/zinc/32/64/88/1025326488.db2.gz RTPQPIVXXSAIHH-HNNXBMFYSA-N 1 2 331.847 3.596 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccccc1SC ZINC000346933455 1025327258 /nfs/dbraw/zinc/32/72/58/1025327258.db2.gz NDNFNBADAMKYHA-UHFFFAOYSA-N 1 2 345.512 3.649 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)[C@@H](C)C1 ZINC000281648754 1025328355 /nfs/dbraw/zinc/32/83/55/1025328355.db2.gz JOULQJSQTDMNSQ-WMLDXEAASA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)[C@@H](C)C1 ZINC000281648754 1025328369 /nfs/dbraw/zinc/32/83/69/1025328369.db2.gz JOULQJSQTDMNSQ-WMLDXEAASA-N 1 2 332.469 3.721 20 0 EHADLO O=C(CC1(CCc2ccccc2)CCCC1)NCCCn1cc[nH+]c1 ZINC000113413375 1025328551 /nfs/dbraw/zinc/32/85/51/1025328551.db2.gz MDGYZTZECMMACA-UHFFFAOYSA-N 1 2 339.483 3.973 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000346972171 1025367516 /nfs/dbraw/zinc/36/75/16/1025367516.db2.gz RZNMNCYUYOFZBT-WDEREUQCSA-N 1 2 335.249 3.608 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346975730 1025374050 /nfs/dbraw/zinc/37/40/50/1025374050.db2.gz JOZUDNLJRJHLNI-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000281712414 1025381648 /nfs/dbraw/zinc/38/16/48/1025381648.db2.gz WRYQTWJRDYILJA-UHFFFAOYSA-N 1 2 339.483 3.662 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346983677 1025384067 /nfs/dbraw/zinc/38/40/67/1025384067.db2.gz ZKTJLJHRAGBEGU-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346983677 1025384080 /nfs/dbraw/zinc/38/40/80/1025384080.db2.gz ZKTJLJHRAGBEGU-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033609 1025408451 /nfs/dbraw/zinc/40/84/51/1025408451.db2.gz AFBWKRPREPKWCE-DOTOQJQBSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033607 1025408950 /nfs/dbraw/zinc/40/89/50/1025408950.db2.gz AFBWKRPREPKWCE-RDJZCZTQSA-N 1 2 326.444 3.592 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442675163 1025419576 /nfs/dbraw/zinc/41/95/76/1025419576.db2.gz FKUYFSXQNZOHHR-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cncc(C)c2)CC1 ZINC000442675163 1025419585 /nfs/dbraw/zinc/41/95/85/1025419585.db2.gz FKUYFSXQNZOHHR-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO C[C@H]1CCc2c(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)csc2C1 ZINC000347027944 1025423209 /nfs/dbraw/zinc/42/32/09/1025423209.db2.gz VEXDMDPKNPUQJQ-ZDUSSCGKSA-N 1 2 343.496 3.678 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000436166376 1025429630 /nfs/dbraw/zinc/42/96/30/1025429630.db2.gz QZAMGKUGOMYPPZ-FZMZJTMJSA-N 1 2 325.334 3.579 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425482823 1025429690 /nfs/dbraw/zinc/42/96/90/1025429690.db2.gz HOZGQLRKTIZPBR-GFCCVEGCSA-N 1 2 347.484 3.861 20 0 EHADLO CC1(C)OCc2cc(C[NH2+][C@H]3c4ccccc4OC[C@@H]3F)ccc2O1 ZINC000896421848 1025432443 /nfs/dbraw/zinc/43/24/43/1025432443.db2.gz CVAFEDOIAKKQFW-LPHOPBHVSA-N 1 2 343.398 3.893 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1ccsc1 ZINC000347153660 1025447484 /nfs/dbraw/zinc/44/74/84/1025447484.db2.gz AWSVDTSKQNBOJR-ZDUSSCGKSA-N 1 2 337.313 3.868 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442755085 1025466150 /nfs/dbraw/zinc/46/61/50/1025466150.db2.gz RJQOJEBXAAHNPF-UHFFFAOYSA-N 1 2 349.221 3.684 20 0 EHADLO Cc1cnc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000505775712 1025473632 /nfs/dbraw/zinc/47/36/32/1025473632.db2.gz DUJDXBNTRRUJCA-UHFFFAOYSA-N 1 2 329.831 3.533 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(c3ccc(F)cc3C)CC2)n1 ZINC000451064244 1025489694 /nfs/dbraw/zinc/48/96/94/1025489694.db2.gz WPXFMNHUHOIBCP-UHFFFAOYSA-N 1 2 348.443 3.757 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cc4c(cccc4F)[nH]3)CCCCC2)no1 ZINC000436238659 1025503973 /nfs/dbraw/zinc/50/39/73/1025503973.db2.gz FYDMQNQLSDNNPK-UHFFFAOYSA-N 1 2 328.391 3.948 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442880160 1025560699 /nfs/dbraw/zinc/56/06/99/1025560699.db2.gz KYWQULDVVCSJGZ-NSHDSACASA-N 1 2 344.406 3.957 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442880160 1025560709 /nfs/dbraw/zinc/56/07/09/1025560709.db2.gz KYWQULDVVCSJGZ-NSHDSACASA-N 1 2 344.406 3.957 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442883299 1025563082 /nfs/dbraw/zinc/56/30/82/1025563082.db2.gz UMRXBUNCBWFKFM-UHFFFAOYSA-N 1 2 326.366 3.684 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000425516951 1025585376 /nfs/dbraw/zinc/58/53/76/1025585376.db2.gz WBDZONDVKPDRKI-GOSISDBHSA-N 1 2 334.391 3.521 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000425516951 1025585392 /nfs/dbraw/zinc/58/53/92/1025585392.db2.gz WBDZONDVKPDRKI-GOSISDBHSA-N 1 2 334.391 3.521 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1NCCC1=CCCCC1 ZINC000179267637 1025655882 /nfs/dbraw/zinc/65/58/82/1025655882.db2.gz VCZIQFWSZFKABF-UHFFFAOYSA-N 1 2 338.455 3.685 20 0 EHADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193699 1025664942 /nfs/dbraw/zinc/66/49/42/1025664942.db2.gz UZSUOFPYDNWTRS-WFASDCNBSA-N 1 2 345.245 3.701 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193699 1025664949 /nfs/dbraw/zinc/66/49/49/1025664949.db2.gz UZSUOFPYDNWTRS-WFASDCNBSA-N 1 2 345.245 3.701 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000505811316 1025669534 /nfs/dbraw/zinc/66/95/34/1025669534.db2.gz FJLBWNPUIRMYJV-MYSGNRETSA-N 1 2 337.345 3.852 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000505811316 1025669543 /nfs/dbraw/zinc/66/95/43/1025669543.db2.gz FJLBWNPUIRMYJV-MYSGNRETSA-N 1 2 337.345 3.852 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000119708425 1025677355 /nfs/dbraw/zinc/67/73/55/1025677355.db2.gz JQZDRMOSGPTXRA-ZWKOTPCHSA-N 1 2 339.483 3.785 20 0 EHADLO CC[C@@H](NCc1c[nH+]c2n1CCC2)c1nc(C(F)(F)F)cs1 ZINC000657381306 1025720756 /nfs/dbraw/zinc/72/07/56/1025720756.db2.gz BCCQLCKMWQMLJD-SNVBAGLBSA-N 1 2 330.379 3.546 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc2c3c(cccc31)CC2 ZINC000521860542 1025736597 /nfs/dbraw/zinc/73/65/97/1025736597.db2.gz VCXJOXZBXXJRHY-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO CC(C)n1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000121741032 1025744883 /nfs/dbraw/zinc/74/48/83/1025744883.db2.gz BLVJKTNMNTXBKN-UHFFFAOYSA-N 1 2 335.411 3.779 20 0 EHADLO COc1c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc(F)c1F ZINC001211887375 1025748093 /nfs/dbraw/zinc/74/80/93/1025748093.db2.gz AYGAXONHWYRFEG-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC000639501234 1025752134 /nfs/dbraw/zinc/75/21/34/1025752134.db2.gz VGBDDLJELGWNMA-UHFFFAOYSA-N 1 2 347.462 3.636 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC000639501234 1025752153 /nfs/dbraw/zinc/75/21/53/1025752153.db2.gz VGBDDLJELGWNMA-UHFFFAOYSA-N 1 2 347.462 3.636 20 0 EHADLO CCCCOc1ccc(C(=O)NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000474890171 1025756776 /nfs/dbraw/zinc/75/67/76/1025756776.db2.gz JPSQJMNHXGVFEI-UHFFFAOYSA-N 1 2 347.846 3.756 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nc1 ZINC000342475932 1025761132 /nfs/dbraw/zinc/76/11/32/1025761132.db2.gz CSYSQHGEJJTWJF-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nc1 ZINC000342475932 1025761150 /nfs/dbraw/zinc/76/11/50/1025761150.db2.gz CSYSQHGEJJTWJF-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccc(OC(F)F)cc2)c(C)[nH+]1 ZINC000436498524 1025781454 /nfs/dbraw/zinc/78/14/54/1025781454.db2.gz VKDNSNDBSXNWGP-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000515964416 1025798101 /nfs/dbraw/zinc/79/81/01/1025798101.db2.gz NJLCNYJIGYDMMQ-KBXCAEBGSA-N 1 2 335.407 3.578 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000505842651 1025802026 /nfs/dbraw/zinc/80/20/26/1025802026.db2.gz NRWZXLGNMQUQJF-YFHOEESVSA-N 1 2 338.499 3.538 20 0 EHADLO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320877 1025804978 /nfs/dbraw/zinc/80/49/78/1025804978.db2.gz MQTSWFGEPSYJHO-QWHCGFSZSA-N 1 2 326.893 3.721 20 0 EHADLO CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320877 1025804994 /nfs/dbraw/zinc/80/49/94/1025804994.db2.gz MQTSWFGEPSYJHO-QWHCGFSZSA-N 1 2 326.893 3.721 20 0 EHADLO Cc1cc(C)c(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)c(C)c1 ZINC000443203225 1025807143 /nfs/dbraw/zinc/80/71/43/1025807143.db2.gz LNLQYUFSMGHBQJ-OAHLLOKOSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1cc(C)c(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)c(C)c1 ZINC000443203225 1025807165 /nfs/dbraw/zinc/80/71/65/1025807165.db2.gz LNLQYUFSMGHBQJ-OAHLLOKOSA-N 1 2 331.485 3.523 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc(-c3ccccc3Cl)nn1)C2 ZINC000896654314 1025810869 /nfs/dbraw/zinc/81/08/69/1025810869.db2.gz OVIODZNJZZYGEL-UHFFFAOYSA-N 1 2 339.830 3.576 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc4sccc4s3)sc2C1 ZINC000515972032 1025811065 /nfs/dbraw/zinc/81/10/65/1025811065.db2.gz RRTFTYHLUMSHGP-UHFFFAOYSA-N 1 2 335.479 3.660 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc4sccc4s3)sc2C1 ZINC000515972032 1025811083 /nfs/dbraw/zinc/81/10/83/1025811083.db2.gz RRTFTYHLUMSHGP-UHFFFAOYSA-N 1 2 335.479 3.660 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000347298820 1025840074 /nfs/dbraw/zinc/84/00/74/1025840074.db2.gz IQEUTYFWFSXOMK-AWEZNQCLSA-N 1 2 337.345 3.675 20 0 EHADLO CC(C)C[N@H+](Cc1cnccn1)Cc1ccccc1Br ZINC000521978589 1025853069 /nfs/dbraw/zinc/85/30/69/1025853069.db2.gz VKZBQONVLHEKHM-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO CC(C)C[N@@H+](Cc1cnccn1)Cc1ccccc1Br ZINC000521978589 1025853086 /nfs/dbraw/zinc/85/30/86/1025853086.db2.gz VKZBQONVLHEKHM-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO COc1cccc2c(NC3CCN(c4nccs4)CC3)cc[nH+]c12 ZINC000281989280 1025866833 /nfs/dbraw/zinc/86/68/33/1025866833.db2.gz WGTSFGOGLNREMG-UHFFFAOYSA-N 1 2 340.452 3.781 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CF)CC2)c(Cl)c1 ZINC000451388098 1025892301 /nfs/dbraw/zinc/89/23/01/1025892301.db2.gz ILTJLCZKVOBXOJ-CYBMUJFWSA-N 1 2 326.843 3.965 20 0 EHADLO O=S1(=O)C[C@H]([NH2+]Cc2cccc(C3CCCC3)c2)c2ccccc21 ZINC000657396274 1025911674 /nfs/dbraw/zinc/91/16/74/1025911674.db2.gz IWIOJNOJZMGCMT-IBGZPJMESA-N 1 2 341.476 3.962 20 0 EHADLO CCOCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277557609 1025945614 /nfs/dbraw/zinc/94/56/14/1025945614.db2.gz KAANTQUFDHBDCN-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO Cc1cc([C@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516837 1025972741 /nfs/dbraw/zinc/97/27/41/1025972741.db2.gz VXSXAWHNIIJVFY-IEBWSBKVSA-N 1 2 333.447 3.999 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516837 1025972754 /nfs/dbraw/zinc/97/27/54/1025972754.db2.gz VXSXAWHNIIJVFY-IEBWSBKVSA-N 1 2 333.447 3.999 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[nH+]c1C ZINC000896914282 1025976586 /nfs/dbraw/zinc/97/65/86/1025976586.db2.gz XNYCEHLKQQEPRZ-UHFFFAOYSA-N 1 2 331.725 3.629 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000342511673 1025979015 /nfs/dbraw/zinc/97/90/15/1025979015.db2.gz GFGZHPGHNAWVGB-KRWDZBQOSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000342511673 1025979018 /nfs/dbraw/zinc/97/90/18/1025979018.db2.gz GFGZHPGHNAWVGB-KRWDZBQOSA-N 1 2 338.411 3.723 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000896918351 1026005249 /nfs/dbraw/zinc/00/52/49/1026005249.db2.gz ADGHLGJHGONXJT-JTQLQIEISA-N 1 2 339.361 3.540 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000896919582 1026024584 /nfs/dbraw/zinc/02/45/84/1026024584.db2.gz STIYOCLVSXEYDH-ZIAGYGMSSA-N 1 2 338.238 3.753 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(C)c1OC ZINC000582383288 1026032843 /nfs/dbraw/zinc/03/28/43/1026032843.db2.gz UWLSXLAFPNDMHQ-UHFFFAOYSA-N 1 2 343.320 3.858 20 0 EHADLO COc1cccc(C[C@@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000443452464 1026055818 /nfs/dbraw/zinc/05/58/18/1026055818.db2.gz YYDANASVCCAMTQ-OAHLLOKOSA-N 1 2 326.444 3.519 20 0 EHADLO COc1cccc(C[C@@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000443452464 1026055833 /nfs/dbraw/zinc/05/58/33/1026055833.db2.gz YYDANASVCCAMTQ-OAHLLOKOSA-N 1 2 326.444 3.519 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)[nH+]c1C ZINC000896928793 1026079132 /nfs/dbraw/zinc/07/91/32/1026079132.db2.gz AOALPUPIBQIGLE-LLVKDONJSA-N 1 2 336.439 3.563 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000277574501 1026091054 /nfs/dbraw/zinc/09/10/54/1026091054.db2.gz OBNBZMPUDFTIBB-ZWKOTPCHSA-N 1 2 343.446 3.627 20 0 EHADLO CC[C@H]1C[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCO1 ZINC000896823173 1026094781 /nfs/dbraw/zinc/09/47/81/1026094781.db2.gz KIBISLRBYLGNPY-RDJZCZTQSA-N 1 2 338.411 3.519 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451545237 1026095417 /nfs/dbraw/zinc/09/54/17/1026095417.db2.gz QTVMXHYDBJFOFO-RISCZKNCSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451545237 1026095435 /nfs/dbraw/zinc/09/54/35/1026095435.db2.gz QTVMXHYDBJFOFO-RISCZKNCSA-N 1 2 345.270 3.679 20 0 EHADLO C[C@H]1Cc2cc(C[NH2+]Cc3csc(C(F)(F)F)n3)ccc2O1 ZINC000896824397 1026097920 /nfs/dbraw/zinc/09/79/20/1026097920.db2.gz ILEOOKCOLRTVHA-VIFPVBQESA-N 1 2 328.359 3.775 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000342526853 1026118631 /nfs/dbraw/zinc/11/86/31/1026118631.db2.gz CXPBKTIHJJXBRD-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000342526853 1026118638 /nfs/dbraw/zinc/11/86/38/1026118638.db2.gz CXPBKTIHJJXBRD-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000304241792 1026126997 /nfs/dbraw/zinc/12/69/97/1026126997.db2.gz MDQUMOKVOISPKZ-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000304241792 1026127007 /nfs/dbraw/zinc/12/70/07/1026127007.db2.gz MDQUMOKVOISPKZ-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2OC)s1 ZINC000122035731 1026161185 /nfs/dbraw/zinc/16/11/85/1026161185.db2.gz LYGOGDUMXNPDIG-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2OC)s1 ZINC000122035731 1026161194 /nfs/dbraw/zinc/16/11/94/1026161194.db2.gz LYGOGDUMXNPDIG-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1C ZINC000451765285 1026273201 /nfs/dbraw/zinc/27/32/01/1026273201.db2.gz ULJXFXXPGVMDGM-HSZRJFAPSA-N 1 2 335.513 3.547 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1C ZINC000451765285 1026273215 /nfs/dbraw/zinc/27/32/15/1026273215.db2.gz ULJXFXXPGVMDGM-HSZRJFAPSA-N 1 2 335.513 3.547 20 0 EHADLO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000643418625 1026320072 /nfs/dbraw/zinc/32/00/72/1026320072.db2.gz ZBCWNKMXNDDBMN-UHFFFAOYSA-N 1 2 343.810 3.822 20 0 EHADLO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000643418625 1026320085 /nfs/dbraw/zinc/32/00/85/1026320085.db2.gz ZBCWNKMXNDDBMN-UHFFFAOYSA-N 1 2 343.810 3.822 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CC4(CCC4)[C@H]3c3ccco3)on2)cnn1C ZINC000451858148 1026329073 /nfs/dbraw/zinc/32/90/73/1026329073.db2.gz RHOWCLYMFSNQRD-GOSISDBHSA-N 1 2 338.411 3.704 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CC4(CCC4)[C@H]3c3ccco3)on2)cnn1C ZINC000451858148 1026329081 /nfs/dbraw/zinc/32/90/81/1026329081.db2.gz RHOWCLYMFSNQRD-GOSISDBHSA-N 1 2 338.411 3.704 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899696 1026369872 /nfs/dbraw/zinc/36/98/72/1026369872.db2.gz ZCRQNTHISVPZRI-IUODEOHRSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899696 1026369878 /nfs/dbraw/zinc/36/98/78/1026369878.db2.gz ZCRQNTHISVPZRI-IUODEOHRSA-N 1 2 348.434 3.936 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC000511137133 1026397288 /nfs/dbraw/zinc/39/72/88/1026397288.db2.gz BSLWSXDZZYYWAF-CQSZACIVSA-N 1 2 329.444 3.654 20 0 EHADLO Cc1cc(C)c(CNC(=S)Nc2ccc(OC(C)C)cc2)c[nH+]1 ZINC000840826562 1026409008 /nfs/dbraw/zinc/40/90/08/1026409008.db2.gz ODALTRYOSVYQCY-UHFFFAOYSA-N 1 2 329.469 3.972 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451956067 1026414814 /nfs/dbraw/zinc/41/48/14/1026414814.db2.gz CGEPEILDVAAWEA-SJKOYZFVSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451956067 1026414822 /nfs/dbraw/zinc/41/48/22/1026414822.db2.gz CGEPEILDVAAWEA-SJKOYZFVSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451956065 1026415143 /nfs/dbraw/zinc/41/51/43/1026415143.db2.gz CGEPEILDVAAWEA-PXAZEXFGSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451956065 1026415145 /nfs/dbraw/zinc/41/51/45/1026415145.db2.gz CGEPEILDVAAWEA-PXAZEXFGSA-N 1 2 340.439 3.511 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C2CC2)O1 ZINC000475296408 1026448047 /nfs/dbraw/zinc/44/80/47/1026448047.db2.gz USPRKRGPOASPRN-BDJLRTHQSA-N 1 2 347.352 3.766 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C2CC2)O1 ZINC000475296408 1026448052 /nfs/dbraw/zinc/44/80/52/1026448052.db2.gz USPRKRGPOASPRN-BDJLRTHQSA-N 1 2 347.352 3.766 20 0 EHADLO Cc1cn2cc(NC(=O)Nc3cnn(C4CCCC4)c3C)ccc2[nH+]1 ZINC000277661312 1026480069 /nfs/dbraw/zinc/48/00/69/1026480069.db2.gz GKXLQDTWNGHVKI-UHFFFAOYSA-N 1 2 338.415 3.907 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)c1 ZINC000475348387 1026498624 /nfs/dbraw/zinc/49/86/24/1026498624.db2.gz TWRVQFSVDVYEJH-QFBILLFUSA-N 1 2 344.499 3.727 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 ZINC000056171946 1026516307 /nfs/dbraw/zinc/51/63/07/1026516307.db2.gz MVVZTDPETWUQHY-HXUWFJFHSA-N 1 2 349.409 3.999 20 0 EHADLO CC1(C)CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159243697 1026571072 /nfs/dbraw/zinc/57/10/72/1026571072.db2.gz IDSOROJWCZFEJG-UHFFFAOYSA-N 1 2 342.443 3.616 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CCc3ccccc32)c1C ZINC000051755189 1026584709 /nfs/dbraw/zinc/58/47/09/1026584709.db2.gz MAAMNIUCCGRKGL-GOSISDBHSA-N 1 2 339.439 3.536 20 0 EHADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(-c3ccsc3)cc2)C2CC2)C1 ZINC000277699180 1026616355 /nfs/dbraw/zinc/61/63/55/1026616355.db2.gz LWNPZUKRQNRPRA-SFHVURJKSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(-c3ccsc3)cc2)C2CC2)C1 ZINC000277699180 1026616368 /nfs/dbraw/zinc/61/63/68/1026616368.db2.gz LWNPZUKRQNRPRA-SFHVURJKSA-N 1 2 347.505 3.567 20 0 EHADLO COc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C ZINC000475436229 1026628373 /nfs/dbraw/zinc/62/83/73/1026628373.db2.gz ZHWIIXAAQARETK-HOTGVXAUSA-N 1 2 341.455 3.624 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335004 1026664098 /nfs/dbraw/zinc/66/40/98/1026664098.db2.gz OQLGGXHEPQKLFC-CQSZACIVSA-N 1 2 329.469 3.727 20 0 EHADLO CCCNc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000193027446 1026665210 /nfs/dbraw/zinc/66/52/10/1026665210.db2.gz DIVRJKIQHITTGX-UHFFFAOYSA-N 1 2 334.423 3.624 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531197039 1026680174 /nfs/dbraw/zinc/68/01/74/1026680174.db2.gz YCJSKPKMDJVXJL-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531197039 1026680181 /nfs/dbraw/zinc/68/01/81/1026680181.db2.gz YCJSKPKMDJVXJL-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO FC(F)c1nc2ccccc2c(NCCc2cn3ccccc3[nH+]2)n1 ZINC000301160723 1026705728 /nfs/dbraw/zinc/70/57/28/1026705728.db2.gz FQFUCVWVYNCJFQ-UHFFFAOYSA-N 1 2 339.349 3.870 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122720976 1026706227 /nfs/dbraw/zinc/70/62/27/1026706227.db2.gz LMUKRAHVXOEPDZ-WMLDXEAASA-N 1 2 331.847 3.579 20 0 EHADLO OC[C@@H](C1CC1)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305291651 1026710361 /nfs/dbraw/zinc/71/03/61/1026710361.db2.gz FKJPPNLDTUXHFV-SFHVURJKSA-N 1 2 341.455 3.500 20 0 EHADLO OC[C@@H](C1CC1)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305291651 1026710370 /nfs/dbraw/zinc/71/03/70/1026710370.db2.gz FKJPPNLDTUXHFV-SFHVURJKSA-N 1 2 341.455 3.500 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000301188416 1026715590 /nfs/dbraw/zinc/71/55/90/1026715590.db2.gz KPPANSOHDQFKGZ-CYBMUJFWSA-N 1 2 343.377 3.989 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1OC(C)C ZINC000277730322 1026721403 /nfs/dbraw/zinc/72/14/03/1026721403.db2.gz ZYLBLHJTBWLYPH-UHFFFAOYSA-N 1 2 343.471 3.785 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000665646462 1026723100 /nfs/dbraw/zinc/72/31/00/1026723100.db2.gz NDDPLSANNSFTNX-YQQAZPJKSA-N 1 2 343.858 3.551 20 0 EHADLO c1ccc(N2CCC[C@H](Nc3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000301246607 1026737110 /nfs/dbraw/zinc/73/71/10/1026737110.db2.gz AVSSODJAMSCTAS-KRWDZBQOSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(N2CCC[C@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000301246607 1026737119 /nfs/dbraw/zinc/73/71/19/1026737119.db2.gz AVSSODJAMSCTAS-KRWDZBQOSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc([C@H](Nc2cc(NCC3CC3)[nH+]cn2)c2ccccn2)cc1 ZINC000301252359 1026738882 /nfs/dbraw/zinc/73/88/82/1026738882.db2.gz AIIXAZIZINJBTO-FQEVSTJZSA-N 1 2 331.423 3.895 20 0 EHADLO c1ccc([C@H](Nc2cc(NCC3CC3)nc[nH+]2)c2ccccn2)cc1 ZINC000301252359 1026738891 /nfs/dbraw/zinc/73/88/91/1026738891.db2.gz AIIXAZIZINJBTO-FQEVSTJZSA-N 1 2 331.423 3.895 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCO2 ZINC000301294782 1026752769 /nfs/dbraw/zinc/75/27/69/1026752769.db2.gz RQDFNEVZYWTHTP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCO2 ZINC000301294782 1026752783 /nfs/dbraw/zinc/75/27/83/1026752783.db2.gz RQDFNEVZYWTHTP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168065851 1026755934 /nfs/dbraw/zinc/75/59/34/1026755934.db2.gz OILGRDSVZWSFHE-SWLSCSKDSA-N 1 2 331.366 3.917 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000277746307 1026769245 /nfs/dbraw/zinc/76/92/45/1026769245.db2.gz QNZJFUMTWAAFOE-SWLSCSKDSA-N 1 2 339.361 3.638 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1C ZINC000122831962 1026786182 /nfs/dbraw/zinc/78/61/82/1026786182.db2.gz ICKFEMJZTWCHJX-NEPJUHHUSA-N 1 2 343.452 3.723 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1C ZINC000122831962 1026786184 /nfs/dbraw/zinc/78/61/84/1026786184.db2.gz ICKFEMJZTWCHJX-NEPJUHHUSA-N 1 2 343.452 3.723 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000301436688 1026806248 /nfs/dbraw/zinc/80/62/48/1026806248.db2.gz KRXKGSQDCMGSJU-LBPRGKRZSA-N 1 2 336.892 3.637 20 0 EHADLO Cc1cnc([C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)C2CC2)s1 ZINC000301508027 1026831962 /nfs/dbraw/zinc/83/19/62/1026831962.db2.gz DJAUUJATCNFNCL-INIZCTEOSA-N 1 2 329.473 3.795 20 0 EHADLO Cc1cnc([C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C2CC2)s1 ZINC000301508027 1026831973 /nfs/dbraw/zinc/83/19/73/1026831973.db2.gz DJAUUJATCNFNCL-INIZCTEOSA-N 1 2 329.473 3.795 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1nnc2n1CCCCC2 ZINC000684954563 1026840959 /nfs/dbraw/zinc/84/09/59/1026840959.db2.gz AGBDTLBQSLXEAR-JKSUJKDBSA-N 1 2 325.460 3.518 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764149 1026844742 /nfs/dbraw/zinc/84/47/42/1026844742.db2.gz MLUAVCKRYVGIDM-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764149 1026844747 /nfs/dbraw/zinc/84/47/47/1026844747.db2.gz MLUAVCKRYVGIDM-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1F ZINC000025416720 1026858612 /nfs/dbraw/zinc/85/86/12/1026858612.db2.gz SQDRTWCNHGMGBB-FQEVSTJZSA-N 1 2 335.382 3.538 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431469323 1026887326 /nfs/dbraw/zinc/88/73/26/1026887326.db2.gz HUNIEPZKDMMOFB-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)c12 ZINC000301651787 1026888743 /nfs/dbraw/zinc/88/87/43/1026888743.db2.gz GMXAEUUPCDPVOC-NZSAHSFTSA-N 1 2 339.402 3.566 20 0 EHADLO Cc1cc(Nc2ccc([N@H+]3CCCC[C@H]3C)cc2C)n2ncnc2n1 ZINC000301658695 1026890916 /nfs/dbraw/zinc/89/09/16/1026890916.db2.gz WITUGLRXVJSYKP-OAHLLOKOSA-N 1 2 336.443 3.864 20 0 EHADLO Cc1cc(Nc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)n2ncnc2n1 ZINC000301658695 1026890924 /nfs/dbraw/zinc/89/09/24/1026890924.db2.gz WITUGLRXVJSYKP-OAHLLOKOSA-N 1 2 336.443 3.864 20 0 EHADLO COc1cc(CN(C)c2nc(C)[nH+]c(C)c2C)c(SC)cc1OC ZINC000301709695 1026911054 /nfs/dbraw/zinc/91/10/54/1026911054.db2.gz XBOGYAMOKXZMAZ-UHFFFAOYSA-N 1 2 347.484 3.777 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NCC1CC1 ZINC000511179677 1026913691 /nfs/dbraw/zinc/91/36/91/1026913691.db2.gz ABFMIRDTQDYRCW-UHFFFAOYSA-N 1 2 339.266 3.609 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NCC1CC1 ZINC000511179677 1026913699 /nfs/dbraw/zinc/91/36/99/1026913699.db2.gz ABFMIRDTQDYRCW-UHFFFAOYSA-N 1 2 339.266 3.609 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000301720973 1026915954 /nfs/dbraw/zinc/91/59/54/1026915954.db2.gz MPUJURQGPIWUNA-AWEZNQCLSA-N 1 2 344.361 3.673 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301792159 1026940488 /nfs/dbraw/zinc/94/04/88/1026940488.db2.gz RDLLFWJTQQBFRG-HUUCEWRRSA-N 1 2 348.491 3.790 20 0 EHADLO Cc1noc(C2CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000301798362 1026941852 /nfs/dbraw/zinc/94/18/52/1026941852.db2.gz BAWDUTPASORRDO-UHFFFAOYSA-N 1 2 329.448 3.799 20 0 EHADLO COc1cccc(C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000301803059 1026945186 /nfs/dbraw/zinc/94/51/86/1026945186.db2.gz AMBHSRXAWNBDKC-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO COc1cccc(C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000301803059 1026945194 /nfs/dbraw/zinc/94/51/94/1026945194.db2.gz AMBHSRXAWNBDKC-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1c1cccc[nH+]1 ZINC000301808723 1026947710 /nfs/dbraw/zinc/94/77/10/1026947710.db2.gz CTYSFBKRTZUONP-WBMJQRKESA-N 1 2 333.229 3.811 20 0 EHADLO CCc1nc2sccc2c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000301819208 1026950805 /nfs/dbraw/zinc/95/08/05/1026950805.db2.gz ITCNQUXMWDXDEB-UHFFFAOYSA-N 1 2 339.468 3.730 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCCOc2ccccc21 ZINC000301856978 1026966866 /nfs/dbraw/zinc/96/68/66/1026966866.db2.gz CJSCERYNLCODEE-OAHLLOKOSA-N 1 2 337.427 3.907 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C)c(C)n2)CC1 ZINC000301859168 1026967419 /nfs/dbraw/zinc/96/74/19/1026967419.db2.gz BTOUBSBFWINABW-GOSISDBHSA-N 1 2 346.425 3.645 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1nc(C)cs1 ZINC000301858621 1026967864 /nfs/dbraw/zinc/96/78/64/1026967864.db2.gz CWFAHOGFJKRQMH-GFCCVEGCSA-N 1 2 330.461 3.909 20 0 EHADLO CC(C)(C)c1csc(CCNc2nc(N)c3ccccc3[nH+]2)n1 ZINC000301899965 1026985878 /nfs/dbraw/zinc/98/58/78/1026985878.db2.gz YNQNEZFGJJOENG-UHFFFAOYSA-N 1 2 327.457 3.621 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCc2ccc(F)cc21 ZINC000301904969 1026988429 /nfs/dbraw/zinc/98/84/29/1026988429.db2.gz YIQPPLJIKBRTIJ-HNNXBMFYSA-N 1 2 325.391 3.820 20 0 EHADLO CC[C@H](c1noc(Cn2cc[nH+]c2)n1)c1ccc(Br)cc1 ZINC000277806322 1026995355 /nfs/dbraw/zinc/99/53/55/1026995355.db2.gz GTLFUTDFAYCZPA-ZDUSSCGKSA-N 1 2 347.216 3.619 20 0 EHADLO Clc1ccc([C@H]2OCC[C@@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301976570 1027011892 /nfs/dbraw/zinc/01/18/92/1027011892.db2.gz CNVNWEKBYDZVEE-MAUKXSAKSA-N 1 2 344.846 3.894 20 0 EHADLO Clc1ccc([C@H]2OCC[C@@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301976570 1027011897 /nfs/dbraw/zinc/01/18/97/1027011897.db2.gz CNVNWEKBYDZVEE-MAUKXSAKSA-N 1 2 344.846 3.894 20 0 EHADLO Cc1nc(N2CCC(OCC3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302082159 1027047386 /nfs/dbraw/zinc/04/73/86/1027047386.db2.gz JNFSCJHYSYBYES-UHFFFAOYSA-N 1 2 329.488 3.839 20 0 EHADLO Cc1nc(N2CC[C@@H](COCc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302099055 1027052266 /nfs/dbraw/zinc/05/22/66/1027052266.db2.gz PFSIVUUNTKFJCM-GOSISDBHSA-N 1 2 337.467 3.707 20 0 EHADLO C[C@H](Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1C[N@H+](C)CCO1 ZINC000302103270 1027054298 /nfs/dbraw/zinc/05/42/98/1027054298.db2.gz WBPGQLUADXLRAT-NHYWBVRUSA-N 1 2 337.876 3.595 20 0 EHADLO C[C@H](Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000302103270 1027054305 /nfs/dbraw/zinc/05/43/05/1027054305.db2.gz WBPGQLUADXLRAT-NHYWBVRUSA-N 1 2 337.876 3.595 20 0 EHADLO COc1ccccc1O[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302106319 1027055666 /nfs/dbraw/zinc/05/56/66/1027055666.db2.gz SBRWVGYFHBDEMB-CYBMUJFWSA-N 1 2 327.428 3.552 20 0 EHADLO Cc1nc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302109608 1027057033 /nfs/dbraw/zinc/05/70/33/1027057033.db2.gz SZKUPSATDVUYCF-RHSMWYFYSA-N 1 2 343.496 3.818 20 0 EHADLO Cc1cc(C)n(-c2ccc([C@@H](C)Nc3[nH+]c4ccccc4n3C)cc2)n1 ZINC000536502705 1027074591 /nfs/dbraw/zinc/07/45/91/1027074591.db2.gz VBALYHPPFZJMGB-MRXNPFEDSA-N 1 2 345.450 3.971 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCc2ccccc2F)n1 ZINC000074990613 1027094074 /nfs/dbraw/zinc/09/40/74/1027094074.db2.gz OOIBYOVRHBHQSN-CQSZACIVSA-N 1 2 335.423 3.617 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCc2ccccc2F)n1 ZINC000074990613 1027094087 /nfs/dbraw/zinc/09/40/87/1027094087.db2.gz OOIBYOVRHBHQSN-CQSZACIVSA-N 1 2 335.423 3.617 20 0 EHADLO Clc1cccc([C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)c1 ZINC000302226134 1027095843 /nfs/dbraw/zinc/09/58/43/1027095843.db2.gz VWFROLLTYFHLPM-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1cccc([C@@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCO2)c1 ZINC000302226134 1027095857 /nfs/dbraw/zinc/09/58/57/1027095857.db2.gz VWFROLLTYFHLPM-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000125975740 1027145505 /nfs/dbraw/zinc/14/55/05/1027145505.db2.gz KKLGLLVKFMTODU-ORAYPTAESA-N 1 2 336.439 3.705 20 0 EHADLO COc1cccc2c(NCc3ccc(C(=O)N(C)C)cc3)cc[nH+]c12 ZINC000302447676 1027153478 /nfs/dbraw/zinc/15/34/78/1027153478.db2.gz OJWWQVAIXKZWBK-UHFFFAOYSA-N 1 2 335.407 3.557 20 0 EHADLO c1ccc2sc(CCNc3cc(NCC4CC4)[nH+]cn3)nc2c1 ZINC000302486727 1027164390 /nfs/dbraw/zinc/16/43/90/1027164390.db2.gz XUWKHPHYHAODTD-UHFFFAOYSA-N 1 2 325.441 3.563 20 0 EHADLO c1ccc2sc(CCNc3cc(NCC4CC4)nc[nH+]3)nc2c1 ZINC000302486727 1027164398 /nfs/dbraw/zinc/16/43/98/1027164398.db2.gz XUWKHPHYHAODTD-UHFFFAOYSA-N 1 2 325.441 3.563 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075553045 1027168651 /nfs/dbraw/zinc/16/86/51/1027168651.db2.gz ACYXKYCGMUISST-MRXNPFEDSA-N 1 2 341.455 3.627 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126314856 1027186922 /nfs/dbraw/zinc/18/69/22/1027186922.db2.gz ADCJHOJAPCXZTI-PBHICJAKSA-N 1 2 345.874 3.924 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126367153 1027193853 /nfs/dbraw/zinc/19/38/53/1027193853.db2.gz WDSDYFRYPBLRFN-LBPRGKRZSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126367153 1027193865 /nfs/dbraw/zinc/19/38/65/1027193865.db2.gz WDSDYFRYPBLRFN-LBPRGKRZSA-N 1 2 327.211 3.943 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900512 1027205605 /nfs/dbraw/zinc/20/56/05/1027205605.db2.gz SYOAZHKVIYUCCJ-MFKMUULPSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900512 1027205618 /nfs/dbraw/zinc/20/56/18/1027205618.db2.gz SYOAZHKVIYUCCJ-MFKMUULPSA-N 1 2 343.324 3.897 20 0 EHADLO c1c(CNc2cc(N3CCCCC3)nc[nH+]2)noc1-c1ccccc1 ZINC000302674786 1027232988 /nfs/dbraw/zinc/23/29/88/1027232988.db2.gz PJRHEVLFINADSA-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO c1c(CNc2cc(N3CCCCC3)[nH+]cn2)noc1-c1ccccc1 ZINC000302674786 1027233004 /nfs/dbraw/zinc/23/30/04/1027233004.db2.gz PJRHEVLFINADSA-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076082243 1027238154 /nfs/dbraw/zinc/23/81/54/1027238154.db2.gz BQTOTSQMUSMYFJ-INIZCTEOSA-N 1 2 340.471 3.585 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCc4c(O)cccc43)[nH+]cn2)C1 ZINC000302695973 1027242989 /nfs/dbraw/zinc/24/29/89/1027242989.db2.gz GPWRBZIVNWSGGY-WMLDXEAASA-N 1 2 338.455 3.908 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCc4c(O)cccc43)nc[nH+]2)C1 ZINC000302695973 1027242998 /nfs/dbraw/zinc/24/29/98/1027242998.db2.gz GPWRBZIVNWSGGY-WMLDXEAASA-N 1 2 338.455 3.908 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cccc[nH+]1)CC2 ZINC000302703202 1027245936 /nfs/dbraw/zinc/24/59/36/1027245936.db2.gz IRMGEUQTSNQKRD-UHFFFAOYSA-N 1 2 331.460 3.699 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273058991 1027250684 /nfs/dbraw/zinc/25/06/84/1027250684.db2.gz KZPHFZYBKXYYRH-GFCCVEGCSA-N 1 2 333.461 3.598 20 0 EHADLO COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925248211 1027273521 /nfs/dbraw/zinc/27/35/21/1027273521.db2.gz NXWVGHTXWJHWAQ-KRWDZBQOSA-N 1 2 344.455 3.874 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000302770602 1027279948 /nfs/dbraw/zinc/27/99/48/1027279948.db2.gz BXGHMFWVZPUBCI-HNNXBMFYSA-N 1 2 334.423 3.640 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000302770602 1027279964 /nfs/dbraw/zinc/27/99/64/1027279964.db2.gz BXGHMFWVZPUBCI-HNNXBMFYSA-N 1 2 334.423 3.640 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470975 1027287379 /nfs/dbraw/zinc/28/73/79/1027287379.db2.gz OEJXMXWACOXSCI-MAUKXSAKSA-N 1 2 326.444 3.763 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470974 1027288488 /nfs/dbraw/zinc/28/84/88/1027288488.db2.gz OEJXMXWACOXSCI-YJBOKZPZSA-N 1 2 326.444 3.763 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2nc3ccccc3n2C(C)C)n1C ZINC000342810799 1027295682 /nfs/dbraw/zinc/29/56/82/1027295682.db2.gz WVCNKECOTNWUNP-SFHVURJKSA-N 1 2 337.471 3.996 20 0 EHADLO FC(F)(F)[C@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000302828101 1027313873 /nfs/dbraw/zinc/31/38/73/1027313873.db2.gz IJNRQIYMCWFQNM-CQSZACIVSA-N 1 2 336.361 3.835 20 0 EHADLO FC(F)(F)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000302828101 1027313894 /nfs/dbraw/zinc/31/38/94/1027313894.db2.gz IJNRQIYMCWFQNM-CQSZACIVSA-N 1 2 336.361 3.835 20 0 EHADLO COc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OCCC(C)C ZINC000657567645 1027322329 /nfs/dbraw/zinc/32/23/29/1027322329.db2.gz DCBKAZFJSNKZJP-ZBFHGGJFSA-N 1 2 344.459 3.507 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657569071 1027327318 /nfs/dbraw/zinc/32/73/18/1027327318.db2.gz LDWJARJCPNHCIH-KDOFPFPSSA-N 1 2 334.423 3.749 20 0 EHADLO c1ccc2cc(CNc3cc(N4CCSCC4)nc[nH+]3)ccc2c1 ZINC000302868776 1027336801 /nfs/dbraw/zinc/33/68/01/1027336801.db2.gz AIXKVBPAOSKKIH-UHFFFAOYSA-N 1 2 336.464 3.795 20 0 EHADLO c1ccc2cc(CNc3cc(N4CCSCC4)[nH+]cn3)ccc2c1 ZINC000302868776 1027336813 /nfs/dbraw/zinc/33/68/13/1027336813.db2.gz AIXKVBPAOSKKIH-UHFFFAOYSA-N 1 2 336.464 3.795 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000076872646 1027337400 /nfs/dbraw/zinc/33/74/00/1027337400.db2.gz BQKVOIJDRSHZRO-OAHLLOKOSA-N 1 2 346.368 3.762 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000076872646 1027337417 /nfs/dbraw/zinc/33/74/17/1027337417.db2.gz BQKVOIJDRSHZRO-OAHLLOKOSA-N 1 2 346.368 3.762 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)[C@H](C)c1ccccc1 ZINC000302889567 1027346024 /nfs/dbraw/zinc/34/60/24/1027346024.db2.gz NGTJNNZIADFLDW-LSDHHAIUSA-N 1 2 328.485 3.634 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)[C@H](C)c1ccccc1 ZINC000302889567 1027346029 /nfs/dbraw/zinc/34/60/29/1027346029.db2.gz NGTJNNZIADFLDW-LSDHHAIUSA-N 1 2 328.485 3.634 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C(C)C)C3CCC3)cn2c1 ZINC000077123690 1027354087 /nfs/dbraw/zinc/35/40/87/1027354087.db2.gz CATCTZYSOKBSDY-UHFFFAOYSA-N 1 2 331.485 3.665 20 0 EHADLO CN1C(=O)[C@H]([NH2+]Cc2cc(Cl)sc2Cl)Cc2ccccc21 ZINC000657573637 1027358933 /nfs/dbraw/zinc/35/89/33/1027358933.db2.gz NCKYRNMWAFWAIW-LLVKDONJSA-N 1 2 341.263 3.732 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OCC ZINC000657571125 1027364039 /nfs/dbraw/zinc/36/40/39/1027364039.db2.gz WDXKXNKZMWCECM-ZBFHGGJFSA-N 1 2 344.459 3.651 20 0 EHADLO Cc1c2ccccc2oc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302920874 1027365557 /nfs/dbraw/zinc/36/55/57/1027365557.db2.gz ZPBQAFGNYMYHJH-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO Cc1c2ccccc2oc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302920874 1027365572 /nfs/dbraw/zinc/36/55/72/1027365572.db2.gz ZPBQAFGNYMYHJH-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c(C)c1 ZINC000414443732 1027370713 /nfs/dbraw/zinc/37/07/13/1027370713.db2.gz JFSZZLZKDUFWRY-HNNXBMFYSA-N 1 2 349.521 3.758 20 0 EHADLO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c(C)c1 ZINC000414443732 1027370728 /nfs/dbraw/zinc/37/07/28/1027370728.db2.gz JFSZZLZKDUFWRY-HNNXBMFYSA-N 1 2 349.521 3.758 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000077349004 1027396839 /nfs/dbraw/zinc/39/68/39/1027396839.db2.gz XIIVZSFIZFKBFF-GFCCVEGCSA-N 1 2 338.814 3.516 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000475493477 1027415550 /nfs/dbraw/zinc/41/55/50/1027415550.db2.gz FUFWUILCZZGFQX-UHFFFAOYSA-N 1 2 349.396 3.982 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000077549253 1027426909 /nfs/dbraw/zinc/42/69/09/1027426909.db2.gz NQWWMPXZAGNREM-DLBZAZTESA-N 1 2 340.471 3.845 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)CC2 ZINC000453140816 1027449516 /nfs/dbraw/zinc/44/95/16/1027449516.db2.gz ZLMDOGCBXGPPET-UXHICEINSA-N 1 2 333.435 3.876 20 0 EHADLO Cc1nc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c(C)c(C)[nH+]1 ZINC000664301276 1027466853 /nfs/dbraw/zinc/46/68/53/1027466853.db2.gz SOVLJTQNUKMZDH-GFCCVEGCSA-N 1 2 337.349 3.552 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccco2)Cc2ccccc2)nc(C2CC2)[nH]1 ZINC000459309970 1027475471 /nfs/dbraw/zinc/47/54/71/1027475471.db2.gz LUEISFXQOHOXMO-UHFFFAOYSA-N 1 2 335.407 3.855 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2)nc(C2CC2)[nH]1 ZINC000459309970 1027475489 /nfs/dbraw/zinc/47/54/89/1027475489.db2.gz LUEISFXQOHOXMO-UHFFFAOYSA-N 1 2 335.407 3.855 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000128944213 1027503450 /nfs/dbraw/zinc/50/34/50/1027503450.db2.gz FFEMPWTWMJVAHI-ZDUSSCGKSA-N 1 2 334.872 3.921 20 0 EHADLO OCc1cc2ccccc2nc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000077979969 1027507137 /nfs/dbraw/zinc/50/71/37/1027507137.db2.gz ZKFALKCDAUOFJP-UHFFFAOYSA-N 1 2 330.391 3.525 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(Cc3ccc(C(C)(C)C)cc3)no2)C1 ZINC000420484569 1027551390 /nfs/dbraw/zinc/55/13/90/1027551390.db2.gz YVXHZFIPCOJDEG-QGZVFWFLSA-N 1 2 343.471 3.740 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2nc(Cc3ccc(C(C)(C)C)cc3)no2)C1 ZINC000420484569 1027551398 /nfs/dbraw/zinc/55/13/98/1027551398.db2.gz YVXHZFIPCOJDEG-QGZVFWFLSA-N 1 2 343.471 3.740 20 0 EHADLO Cc1ccc([C@H](c2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495183 1027564277 /nfs/dbraw/zinc/56/42/77/1027564277.db2.gz BKZRDJHFMNHARD-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccc([C@H](c2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495183 1027564294 /nfs/dbraw/zinc/56/42/94/1027564294.db2.gz BKZRDJHFMNHARD-ZWKOTPCHSA-N 1 2 343.471 3.948 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1)c1ccccc1 ZINC000273773420 1027612366 /nfs/dbraw/zinc/61/23/66/1027612366.db2.gz ZWLVJHAZFPWCGX-XEZPLFJOSA-N 1 2 346.500 3.543 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342845265 1027616596 /nfs/dbraw/zinc/61/65/96/1027616596.db2.gz XBOZXPWXVNUCHA-FOIQADDNSA-N 1 2 331.419 3.926 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000501877990 1027623631 /nfs/dbraw/zinc/62/36/31/1027623631.db2.gz WIBDHPJSRWHUOM-LSDHHAIUSA-N 1 2 342.508 3.935 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000501877990 1027623639 /nfs/dbraw/zinc/62/36/39/1027623639.db2.gz WIBDHPJSRWHUOM-LSDHHAIUSA-N 1 2 342.508 3.935 20 0 EHADLO CCC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000582126590 1027644515 /nfs/dbraw/zinc/64/45/15/1027644515.db2.gz LTAGKXBZMAZJRU-KRWDZBQOSA-N 1 2 325.456 3.513 20 0 EHADLO Cc1cccn2c(CN[C@@H](C)c3nc(C4CCCCC4)no3)c[nH+]c12 ZINC000237515960 1027656826 /nfs/dbraw/zinc/65/68/26/1027656826.db2.gz GCIKQONGTWBYRO-AWEZNQCLSA-N 1 2 339.443 3.924 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cc(Br)cs2)c(C)[nH]1 ZINC000048347638 1027674384 /nfs/dbraw/zinc/67/43/84/1027674384.db2.gz VAWKPPQHEKZDQL-UHFFFAOYSA-N 1 2 341.274 3.770 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2cc(Br)cs2)c(C)[nH]1 ZINC000048347638 1027674393 /nfs/dbraw/zinc/67/43/93/1027674393.db2.gz VAWKPPQHEKZDQL-UHFFFAOYSA-N 1 2 341.274 3.770 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001137751436 1027706035 /nfs/dbraw/zinc/70/60/35/1027706035.db2.gz GDHZTNULJIAWGW-UHFFFAOYSA-N 1 2 343.780 3.959 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001137751436 1027706049 /nfs/dbraw/zinc/70/60/49/1027706049.db2.gz GDHZTNULJIAWGW-UHFFFAOYSA-N 1 2 343.780 3.959 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000459339421 1027723136 /nfs/dbraw/zinc/72/31/36/1027723136.db2.gz IASPNJCRYKZIJH-UHFFFAOYSA-N 1 2 331.485 3.727 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000459339421 1027723149 /nfs/dbraw/zinc/72/31/49/1027723149.db2.gz IASPNJCRYKZIJH-UHFFFAOYSA-N 1 2 331.485 3.727 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000642921144 1027732811 /nfs/dbraw/zinc/73/28/11/1027732811.db2.gz LIFKUJXLUXHSRF-CYBMUJFWSA-N 1 2 335.860 3.886 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000642921144 1027732833 /nfs/dbraw/zinc/73/28/33/1027732833.db2.gz LIFKUJXLUXHSRF-CYBMUJFWSA-N 1 2 335.860 3.886 20 0 EHADLO Cc1cc(CNC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000420786920 1027734350 /nfs/dbraw/zinc/73/43/50/1027734350.db2.gz DQLMGUQXYBNCFI-UHFFFAOYSA-N 1 2 343.858 3.883 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420787963 1027749410 /nfs/dbraw/zinc/74/94/10/1027749410.db2.gz FKILVEYYRNMUQS-SFHVURJKSA-N 1 2 339.439 3.584 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c2c(n1)onc2C(C)C ZINC000347334649 1027763656 /nfs/dbraw/zinc/76/36/56/1027763656.db2.gz RRWCWRZTLMARFI-UHFFFAOYSA-N 1 2 335.367 3.555 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc(C)[nH+]1 ZINC000420837280 1027769369 /nfs/dbraw/zinc/76/93/69/1027769369.db2.gz HYMROCQWVGLHIJ-CQSZACIVSA-N 1 2 325.403 3.713 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000582805155 1027772221 /nfs/dbraw/zinc/77/22/21/1027772221.db2.gz HEMHJZOMNFEZIK-OKZBNKHCSA-N 1 2 338.455 3.600 20 0 EHADLO Cc1cc(CNC(=O)NCC2(Sc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420842197 1027782155 /nfs/dbraw/zinc/78/21/55/1027782155.db2.gz DDWIDVXAPALDCF-UHFFFAOYSA-N 1 2 341.480 3.823 20 0 EHADLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)n1 ZINC000533388000 1027784667 /nfs/dbraw/zinc/78/46/67/1027784667.db2.gz HBBAFPGTIUKDFR-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)n1 ZINC000533388000 1027784681 /nfs/dbraw/zinc/78/46/81/1027784681.db2.gz HBBAFPGTIUKDFR-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc(C)[nH+]1 ZINC000420847922 1027789588 /nfs/dbraw/zinc/78/95/88/1027789588.db2.gz KZLPFUNPPCKWAV-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccc(C3CC3)cc2F)cc(C)[nH+]1 ZINC000420851653 1027793823 /nfs/dbraw/zinc/79/38/23/1027793823.db2.gz WJLASSYWBIICIG-UHFFFAOYSA-N 1 2 327.403 3.714 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCCOc2ccccc2C)cc(C)[nH+]1 ZINC000420853774 1027797767 /nfs/dbraw/zinc/79/77/67/1027797767.db2.gz UVXDLWRWONMPJJ-UHFFFAOYSA-N 1 2 341.455 3.617 20 0 EHADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Oc2ccccc2)cc1 ZINC000131659445 1027805174 /nfs/dbraw/zinc/80/51/74/1027805174.db2.gz SHRBVTBCJOLARJ-INIZCTEOSA-N 1 2 347.418 3.901 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC000897319436 1027805626 /nfs/dbraw/zinc/80/56/26/1027805626.db2.gz JTKFPEIPQDDSMV-UHFFFAOYSA-N 1 2 340.814 3.693 20 0 EHADLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131778085 1027819062 /nfs/dbraw/zinc/81/90/62/1027819062.db2.gz NQEHXCICPXBDSD-UYAOXDASSA-N 1 2 347.418 3.522 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3cccs3)nc(=O)c2c1C ZINC000119854377 1027823330 /nfs/dbraw/zinc/82/33/30/1027823330.db2.gz FJSRZNABHDOBHQ-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3cccs3)nc(=O)c2c1C ZINC000119854377 1027823351 /nfs/dbraw/zinc/82/33/51/1027823351.db2.gz FJSRZNABHDOBHQ-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cs1 ZINC000131857361 1027832536 /nfs/dbraw/zinc/83/25/36/1027832536.db2.gz ITSDURWABNUOGP-KRWDZBQOSA-N 1 2 331.485 3.780 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cs1 ZINC000131857361 1027832552 /nfs/dbraw/zinc/83/25/52/1027832552.db2.gz ITSDURWABNUOGP-KRWDZBQOSA-N 1 2 331.485 3.780 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)no1 ZINC000503527543 1027845316 /nfs/dbraw/zinc/84/53/16/1027845316.db2.gz YZWAXXSCZXSDFL-JKSUJKDBSA-N 1 2 329.444 3.595 20 0 EHADLO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CCCC2)c1 ZINC000610009161 1027851865 /nfs/dbraw/zinc/85/18/65/1027851865.db2.gz ZGHMHTYKVGHKHK-HNNXBMFYSA-N 1 2 333.472 3.827 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000582818245 1027854099 /nfs/dbraw/zinc/85/40/99/1027854099.db2.gz FYPTYSKBLAPUHQ-KRWDZBQOSA-N 1 2 342.487 3.694 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110114206 1027856509 /nfs/dbraw/zinc/85/65/09/1027856509.db2.gz BKMUQUYUDNEQRG-GOSISDBHSA-N 1 2 338.455 3.817 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110114206 1027856530 /nfs/dbraw/zinc/85/65/30/1027856530.db2.gz BKMUQUYUDNEQRG-GOSISDBHSA-N 1 2 338.455 3.817 20 0 EHADLO Cc1cc(CNC(=O)NCC(C)(C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420920662 1027869787 /nfs/dbraw/zinc/86/97/87/1027869787.db2.gz UMRYKXKJXKDRBT-UHFFFAOYSA-N 1 2 325.456 3.767 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccc(F)c(F)c1 ZINC000420941364 1027896079 /nfs/dbraw/zinc/89/60/79/1027896079.db2.gz FNQCITDRSHIIFG-SNVBAGLBSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccc(F)c(F)c1 ZINC000420941364 1027896097 /nfs/dbraw/zinc/89/60/97/1027896097.db2.gz FNQCITDRSHIIFG-SNVBAGLBSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(COC/C=C/c1ccccc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000132215617 1027897963 /nfs/dbraw/zinc/89/79/63/1027897963.db2.gz HLDKRFJMIODBRU-VMPITWQZSA-N 1 2 333.391 3.541 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246172082 1027903975 /nfs/dbraw/zinc/90/39/75/1027903975.db2.gz RUEPIWBZLKEBLA-DAYGRLMNSA-N 1 2 345.874 3.825 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952321 1027914154 /nfs/dbraw/zinc/91/41/54/1027914154.db2.gz SAUZILNNOQJNHM-WFASDCNBSA-N 1 2 344.352 3.595 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952321 1027914170 /nfs/dbraw/zinc/91/41/70/1027914170.db2.gz SAUZILNNOQJNHM-WFASDCNBSA-N 1 2 344.352 3.595 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1cc(F)cc(F)c1 ZINC000503576906 1027921535 /nfs/dbraw/zinc/92/15/35/1027921535.db2.gz IKFFCAKFMPOMJN-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1cc(F)cc(F)c1 ZINC000503576906 1027921553 /nfs/dbraw/zinc/92/15/53/1027921553.db2.gz IKFFCAKFMPOMJN-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955303 1027922658 /nfs/dbraw/zinc/92/26/58/1027922658.db2.gz WEYCFJXCBJERRR-QWHCGFSZSA-N 1 2 345.413 3.904 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955303 1027922668 /nfs/dbraw/zinc/92/26/68/1027922668.db2.gz WEYCFJXCBJERRR-QWHCGFSZSA-N 1 2 345.413 3.904 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000420956751 1027925569 /nfs/dbraw/zinc/92/55/69/1027925569.db2.gz YYXFBGSBKNMRKZ-JTQLQIEISA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000420956751 1027925584 /nfs/dbraw/zinc/92/55/84/1027925584.db2.gz YYXFBGSBKNMRKZ-JTQLQIEISA-N 1 2 331.363 3.963 20 0 EHADLO COc1ccc2cc(CN(C)C(=O)Nc3cc(C)[nH+]cc3C)ccc2c1 ZINC000536618440 1027931880 /nfs/dbraw/zinc/93/18/80/1027931880.db2.gz GYTJAONBBACXOW-UHFFFAOYSA-N 1 2 349.434 3.946 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C2(CCC2)C1 ZINC000420991832 1027969968 /nfs/dbraw/zinc/96/99/68/1027969968.db2.gz JONPDKRSRSAJIB-MRXNPFEDSA-N 1 2 344.480 3.602 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C2(CCC2)C1 ZINC000420991832 1027969989 /nfs/dbraw/zinc/96/99/89/1027969989.db2.gz JONPDKRSRSAJIB-MRXNPFEDSA-N 1 2 344.480 3.602 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccccc2F)CC(C)C)c(C)c[nH+]1 ZINC000536621746 1027976367 /nfs/dbraw/zinc/97/63/67/1027976367.db2.gz WVLPLGCMXJSHQO-UHFFFAOYSA-N 1 2 329.419 3.950 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132935519 1027981065 /nfs/dbraw/zinc/98/10/65/1027981065.db2.gz CPSBGVFVIKAWQA-ZDUSSCGKSA-N 1 2 343.402 3.545 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C)c1cnc(C)cn1)C2 ZINC000421032118 1027991100 /nfs/dbraw/zinc/99/11/00/1027991100.db2.gz DLCCQTUTRABTPI-AWEZNQCLSA-N 1 2 327.428 3.528 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)c1cnc(C)cn1)C2 ZINC000421032118 1027991116 /nfs/dbraw/zinc/99/11/16/1027991116.db2.gz DLCCQTUTRABTPI-AWEZNQCLSA-N 1 2 327.428 3.528 20 0 EHADLO CC/C=C\CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455335375 1028020944 /nfs/dbraw/zinc/02/09/44/1028020944.db2.gz PCKDQBHHBSZPAY-XFHJGTJQSA-N 1 2 326.444 3.507 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628521 1028022794 /nfs/dbraw/zinc/02/27/94/1028022794.db2.gz DPOYCMRERMAKIQ-OLZOCXBDSA-N 1 2 335.883 3.706 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628521 1028022812 /nfs/dbraw/zinc/02/28/12/1028022812.db2.gz DPOYCMRERMAKIQ-OLZOCXBDSA-N 1 2 335.883 3.706 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c(-c2cccs2)n1 ZINC000342906047 1028037605 /nfs/dbraw/zinc/03/76/05/1028037605.db2.gz FIXRHJUNWBNCRU-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO Cn1cc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c(-c2cccs2)n1 ZINC000342906047 1028037623 /nfs/dbraw/zinc/03/76/23/1028037623.db2.gz FIXRHJUNWBNCRU-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OCC(F)F)cc2)cc(C)[nH+]1 ZINC000421062858 1028045415 /nfs/dbraw/zinc/04/54/15/1028045415.db2.gz GWZJLXVAGQRZFZ-UHFFFAOYSA-N 1 2 335.354 3.664 20 0 EHADLO C[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153505428 1028054412 /nfs/dbraw/zinc/05/44/12/1028054412.db2.gz GXAAVHXBEPRWBH-QGZVFWFLSA-N 1 2 349.434 3.528 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(C)[nH+]1 ZINC000421086586 1028070015 /nfs/dbraw/zinc/07/00/15/1028070015.db2.gz RMPMMNVPXXXHLF-UHFFFAOYSA-N 1 2 340.427 3.615 20 0 EHADLO COc1cccc(C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000152488812 1028094550 /nfs/dbraw/zinc/09/45/50/1028094550.db2.gz JADWLKHKKAMAFR-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](C(C)(C)C)CC3)[nH+]c12 ZINC000261434249 1028114666 /nfs/dbraw/zinc/11/46/66/1028114666.db2.gz KVBGKDIPNZGXNX-MRXNPFEDSA-N 1 2 327.472 3.860 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640575 1028125504 /nfs/dbraw/zinc/12/55/04/1028125504.db2.gz NWJDLBDPDSBQPS-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640575 1028125515 /nfs/dbraw/zinc/12/55/15/1028125515.db2.gz NWJDLBDPDSBQPS-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO COc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)ccc1SC ZINC000414503055 1028136435 /nfs/dbraw/zinc/13/64/35/1028136435.db2.gz HRMNLNUBDAQTNT-UHFFFAOYSA-N 1 2 343.374 3.516 20 0 EHADLO COc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1SC ZINC000421148245 1028150969 /nfs/dbraw/zinc/15/09/69/1028150969.db2.gz GXSIHOBEABZGSP-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(F)c(Cl)c1 ZINC000444694143 1028167854 /nfs/dbraw/zinc/16/78/54/1028167854.db2.gz PYZANEQTSXHDCP-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(F)c(Cl)c1 ZINC000444694143 1028167861 /nfs/dbraw/zinc/16/78/61/1028167861.db2.gz PYZANEQTSXHDCP-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423103678 1028199616 /nfs/dbraw/zinc/19/96/16/1028199616.db2.gz XUNASHPYXJBZRF-ACJLOTCBSA-N 1 2 346.421 3.837 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000444734357 1028202739 /nfs/dbraw/zinc/20/27/39/1028202739.db2.gz NBUSDCJNLADBOX-HUUCEWRRSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000444734357 1028202750 /nfs/dbraw/zinc/20/27/50/1028202750.db2.gz NBUSDCJNLADBOX-HUUCEWRRSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)C[C@@H]2OCCc3ccccc32)c(C)[nH+]1 ZINC000455470151 1028203733 /nfs/dbraw/zinc/20/37/33/1028203733.db2.gz HXUOXKRTUYYFBY-SFHVURJKSA-N 1 2 339.439 3.785 20 0 EHADLO COc1cc(Cl)ccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455477931 1028214135 /nfs/dbraw/zinc/21/41/35/1028214135.db2.gz MLMSTEUMSILYLT-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO CC[C@@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000042597107 1028223458 /nfs/dbraw/zinc/22/34/58/1028223458.db2.gz VOZNHOZEAXXEGS-OAHLLOKOSA-N 1 2 331.485 3.525 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cn2c1 ZINC000054886458 1028251996 /nfs/dbraw/zinc/25/19/96/1028251996.db2.gz PKDXVZSCYODCBE-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000055055182 1028258175 /nfs/dbraw/zinc/25/81/75/1028258175.db2.gz ZZMIINYMEMLGEA-AWEZNQCLSA-N 1 2 340.423 3.986 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000055055182 1028258190 /nfs/dbraw/zinc/25/81/90/1028258190.db2.gz ZZMIINYMEMLGEA-AWEZNQCLSA-N 1 2 340.423 3.986 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN(CC(F)F)CC1 ZINC000503958266 1028264137 /nfs/dbraw/zinc/26/41/37/1028264137.db2.gz PERYCEOTSZKVJB-RAXLEYEMSA-N 1 2 348.359 3.991 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC000455492863 1028265320 /nfs/dbraw/zinc/26/53/20/1028265320.db2.gz CBYBRVHPZHHIMV-RNCFNFMXSA-N 1 2 330.436 3.521 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2nc3c(cccc3C)o2)c(C)[nH+]1 ZINC000455503651 1028279700 /nfs/dbraw/zinc/27/97/00/1028279700.db2.gz VVAYMRJGOBYLSJ-UHFFFAOYSA-N 1 2 338.411 3.821 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455505527 1028281851 /nfs/dbraw/zinc/28/18/51/1028281851.db2.gz XJPFNEQOARAJIN-YLJYHZDGSA-N 1 2 339.439 3.867 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)s1 ZINC000523398521 1028289612 /nfs/dbraw/zinc/28/96/12/1028289612.db2.gz WJXKHLGCLHBETN-UHFFFAOYSA-N 1 2 334.529 3.925 20 0 EHADLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000444794269 1028291228 /nfs/dbraw/zinc/29/12/28/1028291228.db2.gz RMAFLZAYWBIBDJ-MRXNPFEDSA-N 1 2 341.904 3.692 20 0 EHADLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000444794269 1028291247 /nfs/dbraw/zinc/29/12/47/1028291247.db2.gz RMAFLZAYWBIBDJ-MRXNPFEDSA-N 1 2 341.904 3.692 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOc3cccc(F)c3C2)c(C)[nH+]1 ZINC000455523414 1028296475 /nfs/dbraw/zinc/29/64/75/1028296475.db2.gz OJJDJKHGGJORCC-UHFFFAOYSA-N 1 2 329.375 3.572 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)C1CCCC1 ZINC000455528556 1028304788 /nfs/dbraw/zinc/30/47/88/1028304788.db2.gz WQFUVXVQMIUTDI-QGZVFWFLSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423308504 1028342545 /nfs/dbraw/zinc/34/25/45/1028342545.db2.gz ONGGTTHNLNPHPG-SFHVURJKSA-N 1 2 345.393 3.512 20 0 EHADLO CCc1nc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)sc1C ZINC000582960839 1028362131 /nfs/dbraw/zinc/36/21/31/1028362131.db2.gz WGMNQNCPLDDRBB-AWEZNQCLSA-N 1 2 340.452 3.898 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1c(F)cccc1F ZINC000067557195 1028370459 /nfs/dbraw/zinc/37/04/59/1028370459.db2.gz KRTFGCHNHDQNJC-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000067657399 1028371718 /nfs/dbraw/zinc/37/17/18/1028371718.db2.gz BSAVLDMVAGIFHM-VQIMIIECSA-N 1 2 340.492 3.654 20 0 EHADLO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423362026 1028388667 /nfs/dbraw/zinc/38/86/67/1028388667.db2.gz XIZJXQRQXBWSNM-RTBURBONSA-N 1 2 336.414 3.888 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cscc2C(F)(F)F)nn1 ZINC000421407971 1028392870 /nfs/dbraw/zinc/39/28/70/1028392870.db2.gz WZPPNSKOPONJQM-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCn2ccnc21 ZINC000655762753 1028397152 /nfs/dbraw/zinc/39/71/52/1028397152.db2.gz IMHLTFRQMJMHKW-UONOGXRCSA-N 1 2 348.244 3.594 20 0 EHADLO CC(C)(C)CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000523565265 1028444048 /nfs/dbraw/zinc/44/40/48/1028444048.db2.gz RNGVDYJCPWCYKH-UHFFFAOYSA-N 1 2 332.492 3.697 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC000072052467 1028497674 /nfs/dbraw/zinc/49/76/74/1028497674.db2.gz JCDRPVIDVWBBMW-KRWDZBQOSA-N 1 2 341.798 3.852 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072701108 1028512504 /nfs/dbraw/zinc/51/25/04/1028512504.db2.gz FAOOTKZSNKFYEW-KRWDZBQOSA-N 1 2 349.434 3.594 20 0 EHADLO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278013582 1028513717 /nfs/dbraw/zinc/51/37/17/1028513717.db2.gz JFWWUEUYELKMPS-DLBZAZTESA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278013582 1028513730 /nfs/dbraw/zinc/51/37/30/1028513730.db2.gz JFWWUEUYELKMPS-DLBZAZTESA-N 1 2 327.428 3.786 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)C2CCC2)cs1)c1ccc(F)cc1 ZINC000072721988 1028514648 /nfs/dbraw/zinc/51/46/48/1028514648.db2.gz JGFKBIZBIGRILH-UHFFFAOYSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)C2CCC2)cs1)c1ccc(F)cc1 ZINC000072721988 1028514660 /nfs/dbraw/zinc/51/46/60/1028514660.db2.gz JGFKBIZBIGRILH-UHFFFAOYSA-N 1 2 333.432 3.951 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000072803393 1028516710 /nfs/dbraw/zinc/51/67/10/1028516710.db2.gz ODKNVUNCCJQMKN-INIZCTEOSA-N 1 2 329.875 3.656 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)no2)cc1 ZINC000367189838 1028553601 /nfs/dbraw/zinc/55/36/01/1028553601.db2.gz XYXFBGRDSFYXIJ-GFCCVEGCSA-N 1 2 326.425 3.704 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)cc(C)[nH+]1 ZINC000421576470 1028570882 /nfs/dbraw/zinc/57/08/82/1028570882.db2.gz MQVNNIHZIQZHGR-UHFFFAOYSA-N 1 2 340.423 3.584 20 0 EHADLO Cc1cc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc(C)[nH+]1 ZINC000421578687 1028571296 /nfs/dbraw/zinc/57/12/96/1028571296.db2.gz RLFCAGNMDIOXBC-UHFFFAOYSA-N 1 2 349.434 3.993 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1CCc1ccccc1)Cn1cc[nH+]c1 ZINC000153677068 1028572807 /nfs/dbraw/zinc/57/28/07/1028572807.db2.gz IDGSCXJERBOJIJ-SFHVURJKSA-N 1 2 347.462 3.734 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)oc2c1C(=O)CCC2 ZINC000195150201 1028587991 /nfs/dbraw/zinc/58/79/91/1028587991.db2.gz YULITYGSZCOZCS-UHFFFAOYSA-N 1 2 335.363 3.749 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000074430928 1028614518 /nfs/dbraw/zinc/61/45/18/1028614518.db2.gz MCODANMXQSETQW-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000583035756 1028615823 /nfs/dbraw/zinc/61/58/23/1028615823.db2.gz RUWNHPVILUYHLH-CQSZACIVSA-N 1 2 328.243 3.547 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523813309 1028643438 /nfs/dbraw/zinc/64/34/38/1028643438.db2.gz RTPWRYUUQSWMLL-GOSISDBHSA-N 1 2 329.488 3.583 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000504471450 1028665474 /nfs/dbraw/zinc/66/54/74/1028665474.db2.gz QMPHDWIZYZSGIA-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC3(C)C)n2)C1 ZINC000343028768 1028706361 /nfs/dbraw/zinc/70/63/61/1028706361.db2.gz SNPJVVNHAKARAO-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC3(C)C)n2)C1 ZINC000343028768 1028706370 /nfs/dbraw/zinc/70/63/70/1028706370.db2.gz SNPJVVNHAKARAO-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245464233 1028717408 /nfs/dbraw/zinc/71/74/08/1028717408.db2.gz HTLDQJJURHERQF-YOEHRIQHSA-N 1 2 345.443 3.903 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245464233 1028717416 /nfs/dbraw/zinc/71/74/16/1028717416.db2.gz HTLDQJJURHERQF-YOEHRIQHSA-N 1 2 345.443 3.903 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC000509676072 1028721427 /nfs/dbraw/zinc/72/14/27/1028721427.db2.gz BDRPSAKRNGIAGK-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454319697 1028735830 /nfs/dbraw/zinc/73/58/30/1028735830.db2.gz AZBGXFBXPTVPGW-QGZVFWFLSA-N 1 2 340.471 3.866 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000114188278 1028752439 /nfs/dbraw/zinc/75/24/39/1028752439.db2.gz SPFYISKQJINEML-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000114188278 1028752464 /nfs/dbraw/zinc/75/24/64/1028752464.db2.gz SPFYISKQJINEML-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccccc1N(C)C ZINC000514688658 1028780261 /nfs/dbraw/zinc/78/02/61/1028780261.db2.gz MCKHPTUXAPIJDI-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000514688658 1028780279 /nfs/dbraw/zinc/78/02/79/1028780279.db2.gz MCKHPTUXAPIJDI-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO COC(=O)c1occc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000343047357 1028795140 /nfs/dbraw/zinc/79/51/40/1028795140.db2.gz MCBOFWIXECZYAW-UHFFFAOYSA-N 1 2 339.313 3.864 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000153847744 1028814790 /nfs/dbraw/zinc/81/47/90/1028814790.db2.gz SYFSQFSCCIQVAE-OAHLLOKOSA-N 1 2 331.410 3.547 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791345 1028818175 /nfs/dbraw/zinc/81/81/75/1028818175.db2.gz ZDJOAHIOJMNIGI-FCEWJHQRSA-N 1 2 343.446 3.701 20 0 EHADLO O=C(CCOc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000075898503 1028819230 /nfs/dbraw/zinc/81/92/30/1028819230.db2.gz CMGGAURJCQYNSI-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(F)c1 ZINC000424125990 1028823514 /nfs/dbraw/zinc/82/35/14/1028823514.db2.gz BAKUYZMGAWELMI-UHFFFAOYSA-N 1 2 346.299 3.899 20 0 EHADLO Cc1ccc(C(=O)NCC2CC2)cc1NCc1c[nH+]cn1C(C)C ZINC000424174167 1028850440 /nfs/dbraw/zinc/85/04/40/1028850440.db2.gz FVDXTDINXCIMLQ-UHFFFAOYSA-N 1 2 326.444 3.524 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000458792732 1028853949 /nfs/dbraw/zinc/85/39/49/1028853949.db2.gz AJGWTRRONLEYJP-MRXNPFEDSA-N 1 2 332.835 3.510 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000123314900 1028878587 /nfs/dbraw/zinc/87/85/87/1028878587.db2.gz QITWRIQDFIVULH-NZSAHSFTSA-N 1 2 325.456 3.732 20 0 EHADLO O=[S@@](C/C=C/c1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445538719 1028899157 /nfs/dbraw/zinc/89/91/57/1028899157.db2.gz NFJCUKKESUZQTN-SZIFGRNDSA-N 1 2 336.460 3.894 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)o1 ZINC000091867190 1028922550 /nfs/dbraw/zinc/92/25/50/1028922550.db2.gz XPESLACGLWJKII-CYBMUJFWSA-N 1 2 333.407 3.513 20 0 EHADLO FC(F)(F)COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414559180 1028924435 /nfs/dbraw/zinc/92/44/35/1028924435.db2.gz UOLYPZMTGDQCCU-UHFFFAOYSA-N 1 2 343.374 3.646 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(C2CCC2)CCC1 ZINC000454460982 1028954327 /nfs/dbraw/zinc/95/43/27/1028954327.db2.gz JJDRSGARJQISDF-UHFFFAOYSA-N 1 2 337.467 3.561 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000123614565 1028972432 /nfs/dbraw/zinc/97/24/32/1028972432.db2.gz MHGOAEMTCTZAHN-KRWDZBQOSA-N 1 2 337.467 3.882 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000524252503 1029009469 /nfs/dbraw/zinc/00/94/69/1029009469.db2.gz NVPCIEIHPXHOEA-VQIMIIECSA-N 1 2 327.476 3.755 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000524252503 1029009483 /nfs/dbraw/zinc/00/94/83/1029009483.db2.gz NVPCIEIHPXHOEA-VQIMIIECSA-N 1 2 327.476 3.755 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000503087372 1029042407 /nfs/dbraw/zinc/04/24/07/1029042407.db2.gz JUQIWUKOBWIWRA-YOEHRIQHSA-N 1 2 348.878 3.964 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000532926687 1029047791 /nfs/dbraw/zinc/04/77/91/1029047791.db2.gz VAGGDQCCLUGHMT-LSDHHAIUSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000532926687 1029047802 /nfs/dbraw/zinc/04/78/02/1029047802.db2.gz VAGGDQCCLUGHMT-LSDHHAIUSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1nc(-c2ccncc2)cs1 ZINC000076895786 1029056477 /nfs/dbraw/zinc/05/64/77/1029056477.db2.gz VTOGJDQOLKMERR-GFCCVEGCSA-N 1 2 339.420 3.785 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccn1 ZINC000532920489 1029072229 /nfs/dbraw/zinc/07/22/29/1029072229.db2.gz YIEQWFQJCWNLEG-UHFFFAOYSA-N 1 2 340.452 3.540 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccn1 ZINC000532920489 1029072243 /nfs/dbraw/zinc/07/22/43/1029072243.db2.gz YIEQWFQJCWNLEG-UHFFFAOYSA-N 1 2 340.452 3.540 20 0 EHADLO CCSCCCc1noc(CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000445747486 1029092753 /nfs/dbraw/zinc/09/27/53/1029092753.db2.gz FQIOXZFRRJDZOC-UHFFFAOYSA-N 1 2 330.457 3.725 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000077546800 1029125461 /nfs/dbraw/zinc/12/54/61/1029125461.db2.gz AQZFTRKVHDMBDD-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cncn1Cc1ccccc1 ZINC000445807895 1029144695 /nfs/dbraw/zinc/14/46/95/1029144695.db2.gz NYTUYEGWHGTGTE-OAHLLOKOSA-N 1 2 339.414 3.930 20 0 EHADLO Fc1ccc2c(c1F)CN(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445815318 1029151801 /nfs/dbraw/zinc/15/18/01/1029151801.db2.gz JEIHWQIXKHUMDP-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Cc1cc(C)c(CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000079767806 1029167667 /nfs/dbraw/zinc/16/76/67/1029167667.db2.gz RBODSWFHLQVGCK-UHFFFAOYSA-N 1 2 347.462 3.829 20 0 EHADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1C1CCCCC1 ZINC000524418664 1029168620 /nfs/dbraw/zinc/16/86/20/1029168620.db2.gz QSHYWCQGMVLXQI-UHFFFAOYSA-N 1 2 326.444 3.504 20 0 EHADLO COC1(C)CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000271796485 1029174752 /nfs/dbraw/zinc/17/47/52/1029174752.db2.gz VSOYUTVCHPOYPI-UHFFFAOYSA-N 1 2 332.469 3.723 20 0 EHADLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000271804672 1029178786 /nfs/dbraw/zinc/17/87/86/1029178786.db2.gz XHWZWYAQDPFLHZ-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO CC(C)(CNc1cc(N2CCCCC2)nc[nH+]1)Oc1ccccc1 ZINC000524461471 1029192716 /nfs/dbraw/zinc/19/27/16/1029192716.db2.gz IGDCWIWTCMVFKX-UHFFFAOYSA-N 1 2 326.444 3.736 20 0 EHADLO CC(C)(CNc1cc(N2CCCCC2)[nH+]cn1)Oc1ccccc1 ZINC000524461471 1029192727 /nfs/dbraw/zinc/19/27/27/1029192727.db2.gz IGDCWIWTCMVFKX-UHFFFAOYSA-N 1 2 326.444 3.736 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccsc1 ZINC000078117823 1029213710 /nfs/dbraw/zinc/21/37/10/1029213710.db2.gz CCBFUIJBXDSVOP-HNNXBMFYSA-N 1 2 343.496 3.943 20 0 EHADLO C[C@@H](Cc1ccccc1F)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078132777 1029217315 /nfs/dbraw/zinc/21/73/15/1029217315.db2.gz AVPDYOKFMADECM-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000424653233 1029217814 /nfs/dbraw/zinc/21/78/14/1029217814.db2.gz XNMPBAVDDOIQLP-GJYPPUQNSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCC2=CCCCC2)c1)[NH+]1CCOCC1 ZINC000454732180 1029244744 /nfs/dbraw/zinc/24/47/44/1029244744.db2.gz GDEXJEOLKBBBLX-INIZCTEOSA-N 1 2 343.471 3.702 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](C)O[C@@H](c4ccsc4)C3)c[nH+]c12 ZINC000245766154 1029263997 /nfs/dbraw/zinc/26/39/97/1029263997.db2.gz QUJVAJYHADETMB-RHSMWYFYSA-N 1 2 327.453 3.666 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454789855 1029304258 /nfs/dbraw/zinc/30/42/58/1029304258.db2.gz FXEQYTJBUUPPAT-CQSZACIVSA-N 1 2 343.475 3.519 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCCC3)c1 ZINC000647280993 1029314865 /nfs/dbraw/zinc/31/48/65/1029314865.db2.gz RBZYASXDFGNZQN-ZIAGYGMSSA-N 1 2 329.444 3.648 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000272171718 1029344422 /nfs/dbraw/zinc/34/44/22/1029344422.db2.gz BZVZQXCGOVWIGR-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO Cc1ccc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)c(C)c1 ZINC001211571355 1029368815 /nfs/dbraw/zinc/36/88/15/1029368815.db2.gz RABQKOMJKWWEEA-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)c(C)c1 ZINC001211571355 1029368836 /nfs/dbraw/zinc/36/88/36/1029368836.db2.gz RABQKOMJKWWEEA-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO CCn1cc([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000272259608 1029383851 /nfs/dbraw/zinc/38/38/51/1029383851.db2.gz LQBQLDBPASSVCD-HNNXBMFYSA-N 1 2 333.439 3.991 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1O ZINC000272268826 1029388963 /nfs/dbraw/zinc/38/89/63/1029388963.db2.gz AUUBXZNBFCGFDJ-DOMZBBRYSA-N 1 2 337.414 3.660 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1O ZINC000272268826 1029388972 /nfs/dbraw/zinc/38/89/72/1029388972.db2.gz AUUBXZNBFCGFDJ-DOMZBBRYSA-N 1 2 337.414 3.660 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272340168 1029423744 /nfs/dbraw/zinc/42/37/44/1029423744.db2.gz ONQFMTFCVZABMA-GOSISDBHSA-N 1 2 348.450 3.669 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2C3CCC2CC3)cs1)c1ccccc1 ZINC000535977804 1029427278 /nfs/dbraw/zinc/42/72/78/1029427278.db2.gz ICOMAWISCMMTOS-UHFFFAOYSA-N 1 2 327.453 3.955 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C[NH+](CC)CC)n2)cc1 ZINC000278172582 1029501560 /nfs/dbraw/zinc/50/15/60/1029501560.db2.gz WLXOUVVGHKPSTK-CQSZACIVSA-N 1 2 344.459 3.606 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccco1 ZINC000272539308 1029503746 /nfs/dbraw/zinc/50/37/46/1029503746.db2.gz KXFUUHCJZAXZRY-AWEZNQCLSA-N 1 2 333.819 3.687 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C1CCCCC1 ZINC000080010203 1029507148 /nfs/dbraw/zinc/50/71/48/1029507148.db2.gz VQCQOVRFMUSIHN-SFHVURJKSA-N 1 2 344.503 3.516 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000446233393 1029514446 /nfs/dbraw/zinc/51/44/46/1029514446.db2.gz HIOHXEAODLVKEG-INIZCTEOSA-N 1 2 344.503 3.709 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609124 1029532868 /nfs/dbraw/zinc/53/28/68/1029532868.db2.gz QPXZWHRALRAAEM-ZFWWWQNUSA-N 1 2 344.484 3.862 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609124 1029532879 /nfs/dbraw/zinc/53/28/79/1029532879.db2.gz QPXZWHRALRAAEM-ZFWWWQNUSA-N 1 2 344.484 3.862 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434311731 1029562112 /nfs/dbraw/zinc/56/21/12/1029562112.db2.gz HINCSZSFJCEZFW-UHFFFAOYSA-N 1 2 331.419 3.681 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434311731 1029562121 /nfs/dbraw/zinc/56/21/21/1029562121.db2.gz HINCSZSFJCEZFW-UHFFFAOYSA-N 1 2 331.419 3.681 20 0 EHADLO CC(C)CN(C)c1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434290119 1029562480 /nfs/dbraw/zinc/56/24/80/1029562480.db2.gz WAADXRXQMSHZDH-UHFFFAOYSA-N 1 2 340.471 3.522 20 0 EHADLO CC(C)CN(C)c1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434290119 1029562492 /nfs/dbraw/zinc/56/24/92/1029562492.db2.gz WAADXRXQMSHZDH-UHFFFAOYSA-N 1 2 340.471 3.522 20 0 EHADLO Cc1nn(C)cc1CNc1[nH+]cccc1OCc1cccc(Cl)c1 ZINC000162409617 1029602672 /nfs/dbraw/zinc/60/26/72/1029602672.db2.gz KMZUXJMIKKGWLQ-UHFFFAOYSA-N 1 2 342.830 3.968 20 0 EHADLO COc1cc(C)c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000446363759 1029603650 /nfs/dbraw/zinc/60/36/50/1029603650.db2.gz OBLBSYLEWMRPEB-UHFFFAOYSA-N 1 2 342.443 3.509 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647286399 1029644556 /nfs/dbraw/zinc/64/45/56/1029644556.db2.gz UEBOGLRUKAZKRL-KPOBHBOGSA-N 1 2 343.446 3.929 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000525051458 1029669475 /nfs/dbraw/zinc/66/94/75/1029669475.db2.gz IAJPVPXGPNDJRM-RYRKJORJSA-N 1 2 330.472 3.845 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccsc1Cl ZINC000446577353 1029698856 /nfs/dbraw/zinc/69/88/56/1029698856.db2.gz ULKSPVFLAKFAAE-UHFFFAOYSA-N 1 2 332.816 3.909 20 0 EHADLO COc1ccc(CCC2CC[NH+](Cc3nnc(C(C)C)[nH]3)CC2)cc1 ZINC000428447449 1029702613 /nfs/dbraw/zinc/70/26/13/1029702613.db2.gz MNVPFWDEPBVZAT-UHFFFAOYSA-N 1 2 342.487 3.782 20 0 EHADLO CCc1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000092919184 1029755540 /nfs/dbraw/zinc/75/55/40/1029755540.db2.gz SBJKTGCXYNMNLT-UHFFFAOYSA-N 1 2 348.328 3.651 20 0 EHADLO c1nnc([C@@H]([NH2+]CCc2cccc3ccccc32)c2ccccc2)[nH]1 ZINC000583404355 1029780364 /nfs/dbraw/zinc/78/03/64/1029780364.db2.gz PGRFLGHDRDMGHD-FQEVSTJZSA-N 1 2 328.419 3.880 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000446761378 1029794242 /nfs/dbraw/zinc/79/42/42/1029794242.db2.gz NYGVWCQWAODFHG-UHFFFAOYSA-N 1 2 340.402 3.769 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000446761378 1029794247 /nfs/dbraw/zinc/79/42/47/1029794247.db2.gz NYGVWCQWAODFHG-UHFFFAOYSA-N 1 2 340.402 3.769 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000080041109 1029813563 /nfs/dbraw/zinc/81/35/63/1029813563.db2.gz RJZNAPJEIXLNGC-IUODEOHRSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000080041109 1029813569 /nfs/dbraw/zinc/81/35/69/1029813569.db2.gz RJZNAPJEIXLNGC-IUODEOHRSA-N 1 2 349.525 3.697 20 0 EHADLO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000126986308 1029816960 /nfs/dbraw/zinc/81/69/60/1029816960.db2.gz IQQWKGYPRPDCNH-INIZCTEOSA-N 1 2 348.397 3.612 20 0 EHADLO FC(F)(F)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1Cl ZINC000728567219 1029818798 /nfs/dbraw/zinc/81/87/98/1029818798.db2.gz ORELKWHPWCLHLO-JTQLQIEISA-N 1 2 330.741 3.792 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1cccc(CS(C)(=O)=O)c1 ZINC000150989671 1029830237 /nfs/dbraw/zinc/83/02/37/1029830237.db2.gz SNHTYNNSONIFPO-UHFFFAOYSA-N 1 2 340.448 3.700 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000367366901 1029889087 /nfs/dbraw/zinc/88/90/87/1029889087.db2.gz FCWQGBYMWGVFMF-VIBAHUMZSA-N 1 2 343.858 3.750 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CCO1 ZINC000453193123 1029890943 /nfs/dbraw/zinc/89/09/43/1029890943.db2.gz DPRYWOFRMOHXMC-WDSOQIARSA-N 1 2 346.450 3.607 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CCO1 ZINC000453193123 1029890951 /nfs/dbraw/zinc/89/09/51/1029890951.db2.gz DPRYWOFRMOHXMC-WDSOQIARSA-N 1 2 346.450 3.607 20 0 EHADLO O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162782200 1029894906 /nfs/dbraw/zinc/89/49/06/1029894906.db2.gz VLSGWNKABOAXDN-UHFFFAOYSA-N 1 2 345.761 3.887 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000089486289 1029928167 /nfs/dbraw/zinc/92/81/67/1029928167.db2.gz FAOZBOQWBKUZSZ-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO C[N@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628421 1029939724 /nfs/dbraw/zinc/93/97/24/1029939724.db2.gz GWXPOIARVXRDCN-LJQANCHMSA-N 1 2 334.467 3.517 20 0 EHADLO C[NH+](Cc1ccc2nc[nH]c2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628421 1029939741 /nfs/dbraw/zinc/93/97/41/1029939741.db2.gz GWXPOIARVXRDCN-LJQANCHMSA-N 1 2 334.467 3.517 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)C(C)C)cc2)c[nH+]1 ZINC000455792671 1029946857 /nfs/dbraw/zinc/94/68/57/1029946857.db2.gz IWXDVVBJIXJAQL-UHFFFAOYSA-N 1 2 325.412 3.859 20 0 EHADLO COc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000892339985 1029958169 /nfs/dbraw/zinc/95/81/69/1029958169.db2.gz NQGLKCLLDIWJRW-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000171002262 1029959032 /nfs/dbraw/zinc/95/90/32/1029959032.db2.gz FCHYJECIRFOWBL-UHFFFAOYSA-N 1 2 348.450 3.782 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)c1noc(CCn2cc[nH+]c2)n1 ZINC000453256953 1029988163 /nfs/dbraw/zinc/98/81/63/1029988163.db2.gz GMQWEBHUUXJCSM-UHFFFAOYSA-N 1 2 330.819 3.683 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000127860098 1030008910 /nfs/dbraw/zinc/00/89/10/1030008910.db2.gz MZWZOGKEBCKGPN-OXQOHEQNSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000127860098 1030008927 /nfs/dbraw/zinc/00/89/27/1030008927.db2.gz MZWZOGKEBCKGPN-OXQOHEQNSA-N 1 2 337.467 3.610 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000120493965 1030024171 /nfs/dbraw/zinc/02/41/71/1030024171.db2.gz YSJNBTDIZFTSNA-GOSISDBHSA-N 1 2 347.418 3.540 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127967662 1030043207 /nfs/dbraw/zinc/04/32/07/1030043207.db2.gz YLEUAZVIGBJWKT-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127967662 1030043220 /nfs/dbraw/zinc/04/32/20/1030043220.db2.gz YLEUAZVIGBJWKT-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO CCO[C@@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000600632299 1030067106 /nfs/dbraw/zinc/06/71/06/1030067106.db2.gz IAKMIYKFMMCKGO-IBGZPJMESA-N 1 2 335.513 3.567 20 0 EHADLO Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000343282038 1030082413 /nfs/dbraw/zinc/08/24/13/1030082413.db2.gz HGFSAFKIMQTEIM-UHFFFAOYSA-N 1 2 330.750 3.704 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000120693347 1030095034 /nfs/dbraw/zinc/09/50/34/1030095034.db2.gz VCYJKTYUFBWAKV-UHFFFAOYSA-N 1 2 336.785 3.705 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000120693347 1030095052 /nfs/dbraw/zinc/09/50/52/1030095052.db2.gz VCYJKTYUFBWAKV-UHFFFAOYSA-N 1 2 336.785 3.705 20 0 EHADLO CC(C)[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1F ZINC000525782019 1030118979 /nfs/dbraw/zinc/11/89/79/1030118979.db2.gz CCNRAIXXFUJJHR-UHFFFAOYSA-N 1 2 332.463 3.970 20 0 EHADLO CC(C)[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1F ZINC000525782019 1030118986 /nfs/dbraw/zinc/11/89/86/1030118986.db2.gz CCNRAIXXFUJJHR-UHFFFAOYSA-N 1 2 332.463 3.970 20 0 EHADLO Cc1ccc(-c2nnc(COc3cccc(-n4cc[nH+]c4)c3)o2)cc1 ZINC000156923779 1030136362 /nfs/dbraw/zinc/13/63/62/1030136362.db2.gz BDJIFLUSSPEVTB-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)nc3ccccc32)c1C ZINC000058958593 1030142621 /nfs/dbraw/zinc/14/26/21/1030142621.db2.gz GTDMWBONERZKOK-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000052440026 1030155479 /nfs/dbraw/zinc/15/54/79/1030155479.db2.gz ZRMCQFCRRHNYSJ-CYBMUJFWSA-N 1 2 326.234 3.749 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000052440026 1030155487 /nfs/dbraw/zinc/15/54/87/1030155487.db2.gz ZRMCQFCRRHNYSJ-CYBMUJFWSA-N 1 2 326.234 3.749 20 0 EHADLO O[C@H](C1CC[NH+](Cc2cc(F)ccc2Cl)CC1)C(F)(F)F ZINC000525833253 1030156931 /nfs/dbraw/zinc/15/69/31/1030156931.db2.gz UMXRPKONWIZEGC-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CN1CCOC[C@@H]1c1ccccc1 ZINC000525833048 1030157393 /nfs/dbraw/zinc/15/73/93/1030157393.db2.gz HMCFCMAKYDHBDL-OAQYLSRUSA-N 1 2 333.435 3.505 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nnc(-c2cccs2)o1 ZINC000525834313 1030159407 /nfs/dbraw/zinc/15/94/07/1030159407.db2.gz ZMXCEDRDRGARIN-IAQYHMDHSA-N 1 2 326.425 3.995 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)oc1C ZINC000447392023 1030162459 /nfs/dbraw/zinc/16/24/59/1030162459.db2.gz AOFUTTJRSSVJLX-CQSZACIVSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)oc1C ZINC000447392023 1030162467 /nfs/dbraw/zinc/16/24/67/1030162467.db2.gz AOFUTTJRSSVJLX-CQSZACIVSA-N 1 2 336.439 3.550 20 0 EHADLO CCN(CC)c1ccc(NCc2cncc(Br)c2)c[nH+]1 ZINC000157903503 1030168326 /nfs/dbraw/zinc/16/83/26/1030168326.db2.gz GFOHXMSOOVONED-UHFFFAOYSA-N 1 2 335.249 3.697 20 0 EHADLO Fc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000121065397 1030175308 /nfs/dbraw/zinc/17/53/08/1030175308.db2.gz WWECERVWVLOXSQ-UHFFFAOYSA-N 1 2 335.426 3.823 20 0 EHADLO CC[C@@H](C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447385866 1030178109 /nfs/dbraw/zinc/17/81/09/1030178109.db2.gz PIQROIDBEDPHQS-LLVKDONJSA-N 1 2 329.271 3.877 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000453397956 1030206275 /nfs/dbraw/zinc/20/62/75/1030206275.db2.gz IRSYXEZUBHSJRS-IFXJQAMLSA-N 1 2 325.412 3.945 20 0 EHADLO FC1(F)C[NH2+]CCN(C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168344211 1030250619 /nfs/dbraw/zinc/25/06/19/1030250619.db2.gz DWPHBHYXKPGBJP-UHFFFAOYSA-N 1 2 328.834 3.907 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000091703983 1030290791 /nfs/dbraw/zinc/29/07/91/1030290791.db2.gz NKVPCTUJXUVZGE-KRWDZBQOSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000091703983 1030290802 /nfs/dbraw/zinc/29/08/02/1030290802.db2.gz NKVPCTUJXUVZGE-KRWDZBQOSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000121590159 1030301600 /nfs/dbraw/zinc/30/16/00/1030301600.db2.gz GLPLXTZOMBWTQU-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000121590159 1030301615 /nfs/dbraw/zinc/30/16/15/1030301615.db2.gz GLPLXTZOMBWTQU-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000128912041 1030305525 /nfs/dbraw/zinc/30/55/25/1030305525.db2.gz NTHHCXXFJVWSOI-CQSZACIVSA-N 1 2 339.464 3.748 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000525990338 1030310934 /nfs/dbraw/zinc/31/09/34/1030310934.db2.gz PZSRLKXNLIDOBY-CQSZACIVSA-N 1 2 340.471 3.651 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000525990338 1030310950 /nfs/dbraw/zinc/31/09/50/1030310950.db2.gz PZSRLKXNLIDOBY-CQSZACIVSA-N 1 2 340.471 3.651 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)s1 ZINC000537636796 1030336247 /nfs/dbraw/zinc/33/62/47/1030336247.db2.gz WTSQWKFLVVJSES-MAUKXSAKSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)s1 ZINC000537636796 1030336262 /nfs/dbraw/zinc/33/62/62/1030336262.db2.gz WTSQWKFLVVJSES-MAUKXSAKSA-N 1 2 345.512 3.951 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c1C ZINC000091932323 1030338281 /nfs/dbraw/zinc/33/82/81/1030338281.db2.gz GECGYBRPUUWYGF-FQEVSTJZSA-N 1 2 340.515 3.616 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c1C ZINC000091932323 1030338298 /nfs/dbraw/zinc/33/82/98/1030338298.db2.gz GECGYBRPUUWYGF-FQEVSTJZSA-N 1 2 340.515 3.616 20 0 EHADLO C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000092034616 1030363462 /nfs/dbraw/zinc/36/34/62/1030363462.db2.gz BICSBXRNVOEDQB-HZPDHXFCSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2nccn2CC(C)C)s1 ZINC000453577184 1030368795 /nfs/dbraw/zinc/36/87/95/1030368795.db2.gz WYSPNGVZYKHWKP-UHFFFAOYSA-N 1 2 342.306 3.961 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2F)CCN1 ZINC000092076163 1030373673 /nfs/dbraw/zinc/37/36/73/1030373673.db2.gz YEFBHSPDFZKCKO-INIZCTEOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2F)CCN1 ZINC000092076163 1030373688 /nfs/dbraw/zinc/37/36/88/1030373688.db2.gz YEFBHSPDFZKCKO-INIZCTEOSA-N 1 2 332.806 3.542 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)s1 ZINC000453621092 1030410849 /nfs/dbraw/zinc/41/08/49/1030410849.db2.gz MBDUHFAVQVSQKD-MRXNPFEDSA-N 1 2 342.530 3.560 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)s1 ZINC000453621092 1030410853 /nfs/dbraw/zinc/41/08/53/1030410853.db2.gz MBDUHFAVQVSQKD-MRXNPFEDSA-N 1 2 342.530 3.560 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(Cl)c2F)C[C@@]2(CCCOC2)O1 ZINC000482435568 1030414431 /nfs/dbraw/zinc/41/44/31/1030414431.db2.gz AUYYINGWCRSZHX-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2F)C[C@@]2(CCCOC2)O1 ZINC000482435568 1030414436 /nfs/dbraw/zinc/41/44/36/1030414436.db2.gz AUYYINGWCRSZHX-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)no1 ZINC000092254406 1030417932 /nfs/dbraw/zinc/41/79/32/1030417932.db2.gz GHXXINHZKHXRLD-UHFFFAOYSA-N 1 2 332.407 3.954 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)no1 ZINC000092254406 1030417938 /nfs/dbraw/zinc/41/79/38/1030417938.db2.gz GHXXINHZKHXRLD-UHFFFAOYSA-N 1 2 332.407 3.954 20 0 EHADLO Cc1ccsc1CCCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343346361 1030418592 /nfs/dbraw/zinc/41/85/92/1030418592.db2.gz SJXKEKZCAIFRBB-UHFFFAOYSA-N 1 2 340.452 3.658 20 0 EHADLO O=C(NCc1cc(F)c(Cl)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447725897 1030436656 /nfs/dbraw/zinc/43/66/56/1030436656.db2.gz CQYHIMDDWOYBBK-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000532160540 1030454213 /nfs/dbraw/zinc/45/42/13/1030454213.db2.gz OCWLGCRWISTNPJ-WWGRRREGSA-N 1 2 340.558 3.777 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000532160540 1030454221 /nfs/dbraw/zinc/45/42/21/1030454221.db2.gz OCWLGCRWISTNPJ-WWGRRREGSA-N 1 2 340.558 3.777 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000532160521 1030454238 /nfs/dbraw/zinc/45/42/38/1030454238.db2.gz OCWLGCRWISTNPJ-DVOMOZLQSA-N 1 2 340.558 3.777 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000532160521 1030454244 /nfs/dbraw/zinc/45/42/44/1030454244.db2.gz OCWLGCRWISTNPJ-DVOMOZLQSA-N 1 2 340.558 3.777 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343351519 1030454741 /nfs/dbraw/zinc/45/47/41/1030454741.db2.gz FCHNSWXXCRWBRP-UHFFFAOYSA-N 1 2 346.390 3.562 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000092452174 1030456028 /nfs/dbraw/zinc/45/60/28/1030456028.db2.gz DKSYAXVRAHDFAX-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000092452174 1030456036 /nfs/dbraw/zinc/45/60/36/1030456036.db2.gz DKSYAXVRAHDFAX-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO C=Cn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2F)cn1 ZINC000447742063 1030462509 /nfs/dbraw/zinc/46/25/09/1030462509.db2.gz OVJLKDAMKYWVOV-UHFFFAOYSA-N 1 2 338.224 3.907 20 0 EHADLO C=Cn1cc(C[N@H+](CC)Cc2cc(Br)ccc2F)cn1 ZINC000447742063 1030462514 /nfs/dbraw/zinc/46/25/14/1030462514.db2.gz OVJLKDAMKYWVOV-UHFFFAOYSA-N 1 2 338.224 3.907 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)Cc1cnccn1 ZINC000092591526 1030488320 /nfs/dbraw/zinc/48/83/20/1030488320.db2.gz YHDUKEZXMNZPHY-OAHLLOKOSA-N 1 2 330.451 3.730 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1cnccn1 ZINC000092591526 1030488325 /nfs/dbraw/zinc/48/83/25/1030488325.db2.gz YHDUKEZXMNZPHY-OAHLLOKOSA-N 1 2 330.451 3.730 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCCC3)c2C1 ZINC000482548046 1030520238 /nfs/dbraw/zinc/52/02/38/1030520238.db2.gz FOOPJGCUZGGTBN-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCCC3)c2C1 ZINC000482548046 1030520251 /nfs/dbraw/zinc/52/02/51/1030520251.db2.gz FOOPJGCUZGGTBN-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000447853971 1030545162 /nfs/dbraw/zinc/54/51/62/1030545162.db2.gz JNGVTPMXZHRHOM-GOSISDBHSA-N 1 2 328.460 3.814 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000447853971 1030545171 /nfs/dbraw/zinc/54/51/71/1030545171.db2.gz JNGVTPMXZHRHOM-GOSISDBHSA-N 1 2 328.460 3.814 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)s1 ZINC000343378867 1030593553 /nfs/dbraw/zinc/59/35/53/1030593553.db2.gz VVGNIOQKLLGWAY-LLVKDONJSA-N 1 2 346.843 3.784 20 0 EHADLO Cc1nc(F)ccc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000278399033 1030599859 /nfs/dbraw/zinc/59/98/59/1030599859.db2.gz FOMCXJYBJNGOLP-UHFFFAOYSA-N 1 2 348.368 3.902 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CCO1 ZINC000093508692 1030625442 /nfs/dbraw/zinc/62/54/42/1030625442.db2.gz YBUVMEXFLKTVEF-IBGZPJMESA-N 1 2 326.440 3.662 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CCO1 ZINC000093508692 1030625445 /nfs/dbraw/zinc/62/54/45/1030625445.db2.gz YBUVMEXFLKTVEF-IBGZPJMESA-N 1 2 326.440 3.662 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000482682035 1030647275 /nfs/dbraw/zinc/64/72/75/1030647275.db2.gz IYQUUVAXMXWRAS-MDZRGWNJSA-N 1 2 325.456 3.734 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000093660850 1030653729 /nfs/dbraw/zinc/65/37/29/1030653729.db2.gz IPPHCHIQMPQKRI-FOIQADDNSA-N 1 2 327.472 3.507 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000093660850 1030653743 /nfs/dbraw/zinc/65/37/43/1030653743.db2.gz IPPHCHIQMPQKRI-FOIQADDNSA-N 1 2 327.472 3.507 20 0 EHADLO CC(C)[C@H]1C[C@@H](NC(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000448110915 1030735182 /nfs/dbraw/zinc/73/51/82/1030735182.db2.gz JEZXJKWOEWTYFX-QZTJIDSGSA-N 1 2 338.455 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)C2 ZINC000527247397 1030736281 /nfs/dbraw/zinc/73/62/81/1030736281.db2.gz JSKUAHPXJJNQDM-OWCLPIDISA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000527247397 1030736294 /nfs/dbraw/zinc/73/62/94/1030736294.db2.gz JSKUAHPXJJNQDM-OWCLPIDISA-N 1 2 331.504 3.971 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)c1nccn1C ZINC000657792963 1030743036 /nfs/dbraw/zinc/74/30/36/1030743036.db2.gz GVYLVAMUXFVJQB-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000476642542 1030759699 /nfs/dbraw/zinc/75/96/99/1030759699.db2.gz WYGWWGFIRSMREF-INIZCTEOSA-N 1 2 349.478 3.872 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000476642542 1030759716 /nfs/dbraw/zinc/75/97/16/1030759716.db2.gz WYGWWGFIRSMREF-INIZCTEOSA-N 1 2 349.478 3.872 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000668155514 1030792301 /nfs/dbraw/zinc/79/23/01/1030792301.db2.gz RJAXTJVPNXMBTM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000668155514 1030792313 /nfs/dbraw/zinc/79/23/13/1030792313.db2.gz RJAXTJVPNXMBTM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CS[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000476675714 1030795118 /nfs/dbraw/zinc/79/51/18/1030795118.db2.gz VQNIPVLTFRUMOX-SWLSCSKDSA-N 1 2 337.533 3.532 20 0 EHADLO CS[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000476675714 1030795126 /nfs/dbraw/zinc/79/51/26/1030795126.db2.gz VQNIPVLTFRUMOX-SWLSCSKDSA-N 1 2 337.533 3.532 20 0 EHADLO CS[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000476675719 1030795652 /nfs/dbraw/zinc/79/56/52/1030795652.db2.gz VQNIPVLTFRUMOX-WFASDCNBSA-N 1 2 337.533 3.532 20 0 EHADLO CS[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000476675719 1030795667 /nfs/dbraw/zinc/79/56/67/1030795667.db2.gz VQNIPVLTFRUMOX-WFASDCNBSA-N 1 2 337.533 3.532 20 0 EHADLO Cc1ccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000042539710 1030796150 /nfs/dbraw/zinc/79/61/50/1030796150.db2.gz KNMZIRRJEUSRJX-CQSZACIVSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1ccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000042539710 1030796166 /nfs/dbraw/zinc/79/61/66/1030796166.db2.gz KNMZIRRJEUSRJX-CQSZACIVSA-N 1 2 327.453 3.568 20 0 EHADLO CCC(C)(C)NC(=O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000550988442 1030862397 /nfs/dbraw/zinc/86/23/97/1030862397.db2.gz OQOLAOGBPGDLIA-UHFFFAOYSA-N 1 2 341.455 3.570 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115556948 1030881552 /nfs/dbraw/zinc/88/15/52/1030881552.db2.gz QUKLHPDUAMMZIN-LBPRGKRZSA-N 1 2 331.391 3.691 20 0 EHADLO CC(C)CO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000551000906 1030888338 /nfs/dbraw/zinc/88/83/38/1030888338.db2.gz VFSLGZYOGKNHRA-GOSISDBHSA-N 1 2 346.515 3.515 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000482998788 1030896828 /nfs/dbraw/zinc/89/68/28/1030896828.db2.gz SUWCSZRPNZBJPZ-GOSISDBHSA-N 1 2 345.512 3.787 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000482998788 1030896844 /nfs/dbraw/zinc/89/68/44/1030896844.db2.gz SUWCSZRPNZBJPZ-GOSISDBHSA-N 1 2 345.512 3.787 20 0 EHADLO COc1cc(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1 ZINC000097213931 1030905531 /nfs/dbraw/zinc/90/55/31/1030905531.db2.gz ZASQRBVKYBEVFS-UHFFFAOYSA-N 1 2 328.412 3.595 20 0 EHADLO CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000668190453 1030906884 /nfs/dbraw/zinc/90/68/84/1030906884.db2.gz DDTPRLKXYOYUDM-CQSZACIVSA-N 1 2 325.403 3.652 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668192000 1030907732 /nfs/dbraw/zinc/90/77/32/1030907732.db2.gz RELFUVLBJNJOGD-SLFFLAALSA-N 1 2 337.467 3.706 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000568174804 1030932506 /nfs/dbraw/zinc/93/25/06/1030932506.db2.gz IHPZJVBPOSCALN-UHFFFAOYSA-N 1 2 347.466 3.620 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000115996081 1030958643 /nfs/dbraw/zinc/95/86/43/1030958643.db2.gz ZDMKHISDUUOJRW-CABCVRRESA-N 1 2 339.345 3.893 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2c(F)cccc2Br)c1C ZINC000527519136 1030965697 /nfs/dbraw/zinc/96/56/97/1030965697.db2.gz RWSPSSAFDUDMTJ-UHFFFAOYSA-N 1 2 340.240 3.711 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448335461 1030972315 /nfs/dbraw/zinc/97/23/15/1030972315.db2.gz RWEROWDKDQJNTP-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448335461 1030972328 /nfs/dbraw/zinc/97/23/28/1030972328.db2.gz RWEROWDKDQJNTP-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000448359378 1030981584 /nfs/dbraw/zinc/98/15/84/1030981584.db2.gz LUDBUPYANSZOQX-LBPRGKRZSA-N 1 2 341.295 3.927 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000448359378 1030981602 /nfs/dbraw/zinc/98/16/02/1030981602.db2.gz LUDBUPYANSZOQX-LBPRGKRZSA-N 1 2 341.295 3.927 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527619127 1031042208 /nfs/dbraw/zinc/04/22/08/1031042208.db2.gz IRRZEVIJSGSACX-UHFFFAOYSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527619127 1031042226 /nfs/dbraw/zinc/04/22/26/1031042226.db2.gz IRRZEVIJSGSACX-UHFFFAOYSA-N 1 2 325.456 3.946 20 0 EHADLO S=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(Cl)c1 ZINC000042625033 1031049000 /nfs/dbraw/zinc/04/90/00/1031049000.db2.gz NVYFHYHLBPRXQM-UHFFFAOYSA-N 1 2 346.887 3.822 20 0 EHADLO CC(C)c1cnc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000343476355 1031054338 /nfs/dbraw/zinc/05/43/38/1031054338.db2.gz OWPGAINIQHDOLS-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](n2cncn2)C1 ZINC000551164582 1031083961 /nfs/dbraw/zinc/08/39/61/1031083961.db2.gz NSIJIPGJMUUCAM-BPQIPLTHSA-N 1 2 340.475 3.505 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C(C)C)C(C)C ZINC000476938545 1031102147 /nfs/dbraw/zinc/10/21/47/1031102147.db2.gz HSJRUICLAVIBAH-UHFFFAOYSA-N 1 2 337.414 3.667 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1ccsc1Br ZINC000527677141 1031112076 /nfs/dbraw/zinc/11/20/76/1031112076.db2.gz XACMKFIUAXGIGZ-UHFFFAOYSA-N 1 2 329.263 3.913 20 0 EHADLO CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343492716 1031115488 /nfs/dbraw/zinc/11/54/88/1031115488.db2.gz NYJDUFCGLLSMTJ-WOJBJXKFSA-N 1 2 347.418 3.557 20 0 EHADLO CCC[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccccn1 ZINC000527655137 1031115831 /nfs/dbraw/zinc/11/58/31/1031115831.db2.gz ZMBPSIDMKBBBTE-OAHLLOKOSA-N 1 2 327.457 3.570 20 0 EHADLO O=C(NCc1cccs1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527659508 1031120546 /nfs/dbraw/zinc/12/05/46/1031120546.db2.gz ACSHITOSIRZLDA-MRXNPFEDSA-N 1 2 334.872 3.682 20 0 EHADLO O=C(NCc1cccs1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527659508 1031120551 /nfs/dbraw/zinc/12/05/51/1031120551.db2.gz ACSHITOSIRZLDA-MRXNPFEDSA-N 1 2 334.872 3.682 20 0 EHADLO O=C(NCc1cccs1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527659507 1031120700 /nfs/dbraw/zinc/12/07/00/1031120700.db2.gz ACSHITOSIRZLDA-INIZCTEOSA-N 1 2 334.872 3.682 20 0 EHADLO O=C(NCc1cccs1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527659507 1031120710 /nfs/dbraw/zinc/12/07/10/1031120710.db2.gz ACSHITOSIRZLDA-INIZCTEOSA-N 1 2 334.872 3.682 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000483370131 1031133209 /nfs/dbraw/zinc/13/32/09/1031133209.db2.gz BPDZWPMVGZQERM-KURKYZTESA-N 1 2 348.535 3.939 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccncc1Cl ZINC000527707212 1031143513 /nfs/dbraw/zinc/14/35/13/1031143513.db2.gz DFHDOTASTQUEFQ-UHFFFAOYSA-N 1 2 346.736 3.932 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000483415041 1031152322 /nfs/dbraw/zinc/15/23/22/1031152322.db2.gz ZIPQDRZZURDKDE-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000483415041 1031152325 /nfs/dbraw/zinc/15/23/25/1031152325.db2.gz ZIPQDRZZURDKDE-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO CC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC(F)(F)CC1 ZINC000527724205 1031153859 /nfs/dbraw/zinc/15/38/59/1031153859.db2.gz GTKRNXKCECIVCD-UHFFFAOYSA-N 1 2 342.455 3.608 20 0 EHADLO CCc1cccc(Cl)c1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000483419653 1031155886 /nfs/dbraw/zinc/15/58/86/1031155886.db2.gz INKWKVAIKYGYIB-QGZVFWFLSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1cccc(Cl)c1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000483419653 1031155906 /nfs/dbraw/zinc/15/59/06/1031155906.db2.gz INKWKVAIKYGYIB-QGZVFWFLSA-N 1 2 335.904 3.926 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000174074377 1031164532 /nfs/dbraw/zinc/16/45/32/1031164532.db2.gz BXVDCDNSIGSFHD-QAPCUYQASA-N 1 2 347.418 3.798 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000483516009 1031206960 /nfs/dbraw/zinc/20/69/60/1031206960.db2.gz OHZCSMXZYPAFBC-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000483516009 1031206973 /nfs/dbraw/zinc/20/69/73/1031206973.db2.gz OHZCSMXZYPAFBC-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nn(C)c(C)c2Cl)cc1F ZINC000527782526 1031219112 /nfs/dbraw/zinc/21/91/12/1031219112.db2.gz XRYDBEBXKNIQIO-UHFFFAOYSA-N 1 2 325.815 3.555 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000343521633 1031227028 /nfs/dbraw/zinc/22/70/28/1031227028.db2.gz VKYUPWWQADKHAR-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO Cc1nn(C(C)C)cc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000343521633 1031227041 /nfs/dbraw/zinc/22/70/41/1031227041.db2.gz VKYUPWWQADKHAR-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO CCc1nocc1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527791438 1031229169 /nfs/dbraw/zinc/22/91/69/1031229169.db2.gz LNWCFIQSLYXSGA-UHFFFAOYSA-N 1 2 331.160 3.568 20 0 EHADLO Brc1cnc(C[NH2+][C@@H](c2ccccn2)C2CCC2)s1 ZINC000527774025 1031237951 /nfs/dbraw/zinc/23/79/51/1031237951.db2.gz VWCNDDWWANEEAD-CQSZACIVSA-N 1 2 338.274 3.932 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000527778297 1031241692 /nfs/dbraw/zinc/24/16/92/1031241692.db2.gz ZBFPQXMIEBAJPI-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO c1nnc([C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc2)[nH]1 ZINC000343523336 1031252581 /nfs/dbraw/zinc/25/25/81/1031252581.db2.gz FSZBLJOXRISJIW-LJQANCHMSA-N 1 2 331.423 3.598 20 0 EHADLO Brc1ccc2c(c1)CC[N@@H+](Cc1ccc3c[nH]nc3c1)C2 ZINC000483655661 1031275043 /nfs/dbraw/zinc/27/50/43/1031275043.db2.gz XZKLNXAJMJSIMB-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1ccc2c(c1)CC[N@H+](Cc1ccc3c[nH]nc3c1)C2 ZINC000483655661 1031275052 /nfs/dbraw/zinc/27/50/52/1031275052.db2.gz XZKLNXAJMJSIMB-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Cc1cc(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)c(C)c[nH+]1 ZINC000551388001 1031284419 /nfs/dbraw/zinc/28/44/19/1031284419.db2.gz ONQRCCDTYSRXTI-UHFFFAOYSA-N 1 2 338.860 3.698 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)Cc1cccnc1 ZINC000132284542 1031286956 /nfs/dbraw/zinc/28/69/56/1031286956.db2.gz JLBPVMWNQUIZRG-DLBZAZTESA-N 1 2 347.462 3.933 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)Cc1cccnc1 ZINC000132284542 1031286971 /nfs/dbraw/zinc/28/69/71/1031286971.db2.gz JLBPVMWNQUIZRG-DLBZAZTESA-N 1 2 347.462 3.933 20 0 EHADLO CC(C)(C)[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175201064 1031309965 /nfs/dbraw/zinc/30/99/65/1031309965.db2.gz MPXXBGOFDDSDQA-UHFFFAOYSA-N 1 2 345.270 3.692 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000278546249 1031312656 /nfs/dbraw/zinc/31/26/56/1031312656.db2.gz SRWJPTFPIMIXRE-UHFFFAOYSA-N 1 2 347.434 3.579 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)c1C ZINC000042669683 1031314102 /nfs/dbraw/zinc/31/41/02/1031314102.db2.gz ATLIBFVCEVQVFI-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)c1C ZINC000042669683 1031314119 /nfs/dbraw/zinc/31/41/19/1031314119.db2.gz ATLIBFVCEVQVFI-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000583997834 1031353791 /nfs/dbraw/zinc/35/37/91/1031353791.db2.gz VPODTJMYVWSGGN-SJORKVTESA-N 1 2 325.456 3.851 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c(OC)c1 ZINC000483867393 1031376002 /nfs/dbraw/zinc/37/60/02/1031376002.db2.gz DVEMFCABOSFUTA-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c(OC)c1 ZINC000483867393 1031376003 /nfs/dbraw/zinc/37/60/03/1031376003.db2.gz DVEMFCABOSFUTA-ZDUSSCGKSA-N 1 2 325.412 3.739 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@]1(C)C[C@H]1c1ccccc1)C2 ZINC000563831252 1031380584 /nfs/dbraw/zinc/38/05/84/1031380584.db2.gz PEOBNBHDUUBCEY-CKJXQJPGSA-N 1 2 337.467 3.700 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@]1(C)C[C@H]1c1ccccc1)CC2 ZINC000563831252 1031380597 /nfs/dbraw/zinc/38/05/97/1031380597.db2.gz PEOBNBHDUUBCEY-CKJXQJPGSA-N 1 2 337.467 3.700 20 0 EHADLO CC(C)c1ncsc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000448680823 1031414848 /nfs/dbraw/zinc/41/48/48/1031414848.db2.gz KIQNHQPJKHYJKJ-GFCCVEGCSA-N 1 2 349.525 3.505 20 0 EHADLO CC(C)c1ncsc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000448680823 1031414859 /nfs/dbraw/zinc/41/48/59/1031414859.db2.gz KIQNHQPJKHYJKJ-GFCCVEGCSA-N 1 2 349.525 3.505 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c(F)c1 ZINC000483992010 1031424374 /nfs/dbraw/zinc/42/43/74/1031424374.db2.gz CRNDPXLFBACEJZ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cc(C)ccc3C2)c(F)c1 ZINC000483992010 1031424382 /nfs/dbraw/zinc/42/43/82/1031424382.db2.gz CRNDPXLFBACEJZ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO O=C(c1ccc2sccc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000348524308 1031430688 /nfs/dbraw/zinc/43/06/88/1031430688.db2.gz CQJLWJYMIVQQCW-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Oc2ccccc2)o1 ZINC000176428460 1031437124 /nfs/dbraw/zinc/43/71/24/1031437124.db2.gz AJVYAVDNSDBYRD-UHFFFAOYSA-N 1 2 337.379 3.699 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000278571681 1031443759 /nfs/dbraw/zinc/44/37/59/1031443759.db2.gz JGGGDLARXILLLY-CQSZACIVSA-N 1 2 341.238 3.562 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000278571681 1031443769 /nfs/dbraw/zinc/44/37/69/1031443769.db2.gz JGGGDLARXILLLY-CQSZACIVSA-N 1 2 341.238 3.562 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000151504006 1031482001 /nfs/dbraw/zinc/48/20/01/1031482001.db2.gz WXPABAAZZXNWRA-JOYOIKCWSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000151504006 1031482012 /nfs/dbraw/zinc/48/20/12/1031482012.db2.gz WXPABAAZZXNWRA-JOYOIKCWSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccncn1)c1cc(F)c(Br)cc1F ZINC000527951400 1031485013 /nfs/dbraw/zinc/48/50/13/1031485013.db2.gz RSVSNWFUCLLDLM-BDAKNGLRSA-N 1 2 342.187 3.929 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000537704130 1031489903 /nfs/dbraw/zinc/48/99/03/1031489903.db2.gz ZSEIYRWJSNSZTO-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000537704130 1031489909 /nfs/dbraw/zinc/48/99/09/1031489909.db2.gz ZSEIYRWJSNSZTO-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000347417043 1031496678 /nfs/dbraw/zinc/49/66/78/1031496678.db2.gz DCJOFYXKXHXJCV-MRXNPFEDSA-N 1 2 343.496 3.617 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000347417233 1031506393 /nfs/dbraw/zinc/50/63/93/1031506393.db2.gz DNFIPDVFHVGBRQ-WNRNVDISSA-N 1 2 329.488 3.733 20 0 EHADLO Brc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000177202569 1031520782 /nfs/dbraw/zinc/52/07/82/1031520782.db2.gz AENKLKKLHQDNLX-KBPBESRZSA-N 1 2 327.291 3.704 20 0 EHADLO Brc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000177202569 1031520797 /nfs/dbraw/zinc/52/07/97/1031520797.db2.gz AENKLKKLHQDNLX-KBPBESRZSA-N 1 2 327.291 3.704 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347433264 1031530249 /nfs/dbraw/zinc/53/02/49/1031530249.db2.gz PSGGHRJNEGRQFV-WBVHZDCISA-N 1 2 343.496 3.697 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000080613319 1031535269 /nfs/dbraw/zinc/53/52/69/1031535269.db2.gz UDNODYKLHRNAPE-HKUYNNGSSA-N 1 2 342.487 3.633 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cn(-c2ccccc2)nn1 ZINC000527968036 1031536628 /nfs/dbraw/zinc/53/66/28/1031536628.db2.gz NWSMUTTYVUARPU-QRWLVFNGSA-N 1 2 333.439 3.854 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nncn1-c1ccccc1 ZINC000278598792 1031573718 /nfs/dbraw/zinc/57/37/18/1031573718.db2.gz DTKFCAVWACUSNN-GOSISDBHSA-N 1 2 336.439 3.907 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000177639221 1031585021 /nfs/dbraw/zinc/58/50/21/1031585021.db2.gz RHQHYFGULXFNLS-QAPCUYQASA-N 1 2 337.423 3.851 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(F)c(Br)cc1F)c1ccn(C)n1 ZINC000527983394 1031597139 /nfs/dbraw/zinc/59/71/39/1031597139.db2.gz VQILSGHOXRNLPC-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc2ccccc2n1 ZINC000177950338 1031598217 /nfs/dbraw/zinc/59/82/17/1031598217.db2.gz XOFDBNYIHUHOFS-HNNXBMFYSA-N 1 2 329.407 3.666 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000584063528 1031611709 /nfs/dbraw/zinc/61/17/09/1031611709.db2.gz UEDXMZVPXCYQFH-ZDBHGNHJSA-N 1 2 338.238 3.567 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000584063528 1031611715 /nfs/dbraw/zinc/61/17/15/1031611715.db2.gz UEDXMZVPXCYQFH-ZDBHGNHJSA-N 1 2 338.238 3.567 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cscn1)CCCO2 ZINC000178237241 1031645555 /nfs/dbraw/zinc/64/55/55/1031645555.db2.gz BBOIHNWTVRLIMG-CYBMUJFWSA-N 1 2 339.258 3.909 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000178497628 1031673217 /nfs/dbraw/zinc/67/32/17/1031673217.db2.gz QGOBYTCUBPFCGX-GOSISDBHSA-N 1 2 341.455 3.531 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000178497628 1031673227 /nfs/dbraw/zinc/67/32/27/1031673227.db2.gz QGOBYTCUBPFCGX-GOSISDBHSA-N 1 2 341.455 3.531 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000528092605 1031692287 /nfs/dbraw/zinc/69/22/87/1031692287.db2.gz HVXVHZYBTTUGSL-CQSZACIVSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000528092605 1031692292 /nfs/dbraw/zinc/69/22/92/1031692292.db2.gz HVXVHZYBTTUGSL-CQSZACIVSA-N 1 2 341.802 3.517 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117593218 1031759864 /nfs/dbraw/zinc/75/98/64/1031759864.db2.gz FUWZSMRZZXQSMS-HNNXBMFYSA-N 1 2 335.407 3.714 20 0 EHADLO COc1c(Cl)cccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117628242 1031783575 /nfs/dbraw/zinc/78/35/75/1031783575.db2.gz CIQWHJFOLMUAGQ-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3c(C)cccc3O)cn2c1 ZINC000179543000 1031783639 /nfs/dbraw/zinc/78/36/39/1031783639.db2.gz DABOKXRZXPIQDW-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000484641911 1031811652 /nfs/dbraw/zinc/81/16/52/1031811652.db2.gz JTVHBIAWLVRVLD-FQEVSTJZSA-N 1 2 336.435 3.973 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000484641911 1031811664 /nfs/dbraw/zinc/81/16/64/1031811664.db2.gz JTVHBIAWLVRVLD-FQEVSTJZSA-N 1 2 336.435 3.973 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000159044835 1031829014 /nfs/dbraw/zinc/82/90/14/1031829014.db2.gz RVJGZPKHEHLBDJ-SUMWQHHRSA-N 1 2 330.407 3.700 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C(C)(C)C2CCC2)c1)[NH+]1CCOCC1 ZINC000448912163 1031879057 /nfs/dbraw/zinc/87/90/57/1031879057.db2.gz RZNYSWDENYYURV-HNNXBMFYSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)n1 ZINC000904263261 1031890436 /nfs/dbraw/zinc/89/04/36/1031890436.db2.gz VUOWRNUPSUUSQM-UHOFOFEASA-N 1 2 338.798 3.729 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2[C@@H]3c4cccc(Cl)c4C[C@@H]32)n1 ZINC000904263259 1031890922 /nfs/dbraw/zinc/89/09/22/1031890922.db2.gz VUOWRNUPSUUSQM-APHBMKBZSA-N 1 2 338.798 3.729 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000904262273 1031891532 /nfs/dbraw/zinc/89/15/32/1031891532.db2.gz BXYAVKCYWICJON-VFZGTOFNSA-N 1 2 342.424 3.501 20 0 EHADLO C[C@@H]1C[NH+](CCCOc2cccc(C(C)(C)C)c2)C[C@@H](C)S1=O ZINC000484705744 1031902470 /nfs/dbraw/zinc/90/24/70/1031902470.db2.gz USBAEPVLKJAACM-HZPDHXFCSA-N 1 2 337.529 3.594 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343680670 1031904344 /nfs/dbraw/zinc/90/43/44/1031904344.db2.gz PMIQLZXAVDPEEQ-LJQANCHMSA-N 1 2 348.450 3.659 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000343680670 1031904354 /nfs/dbraw/zinc/90/43/54/1031904354.db2.gz PMIQLZXAVDPEEQ-LJQANCHMSA-N 1 2 348.450 3.659 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Br)c2)[C@H]1[C@H]1CCCO1 ZINC000584201248 1031928127 /nfs/dbraw/zinc/92/81/27/1031928127.db2.gz LEUVFKSIGFGAEE-YPMHNXCESA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Br)c2)[C@H]1[C@H]1CCCO1 ZINC000584201248 1031928141 /nfs/dbraw/zinc/92/81/41/1031928141.db2.gz LEUVFKSIGFGAEE-YPMHNXCESA-N 1 2 330.291 3.900 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000484753799 1031932665 /nfs/dbraw/zinc/93/26/65/1031932665.db2.gz YUFMRLURJHDCMM-WAYWQWQTSA-N 1 2 349.478 3.957 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181023085 1031938943 /nfs/dbraw/zinc/93/89/43/1031938943.db2.gz RCXWANDDNJVEGF-OAHLLOKOSA-N 1 2 345.874 3.785 20 0 EHADLO Cc1ccc(-c2nnc(NCc3c[nH+]c4ccc(C)cn34)o2)s1 ZINC000195008821 1031953947 /nfs/dbraw/zinc/95/39/47/1031953947.db2.gz LBIKMCHEWQRAGP-UHFFFAOYSA-N 1 2 325.397 3.675 20 0 EHADLO C(OC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1)C1CCCC1 ZINC000181419049 1032022549 /nfs/dbraw/zinc/02/25/49/1032022549.db2.gz JDAWVZVWVNGRAI-UHFFFAOYSA-N 1 2 344.503 3.662 20 0 EHADLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727703 1032028942 /nfs/dbraw/zinc/02/89/42/1032028942.db2.gz XDVNCSWSMFXPEX-GUYCJALGSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@H]1COCC[N@H+]1CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727703 1032028960 /nfs/dbraw/zinc/02/89/60/1032028960.db2.gz XDVNCSWSMFXPEX-GUYCJALGSA-N 1 2 343.298 3.851 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000449016106 1032028868 /nfs/dbraw/zinc/02/88/68/1032028868.db2.gz MRSXRLSFDGHURT-ROUUACIJSA-N 1 2 328.481 3.682 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000449016106 1032028881 /nfs/dbraw/zinc/02/88/81/1032028881.db2.gz MRSXRLSFDGHURT-ROUUACIJSA-N 1 2 328.481 3.682 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000181927312 1032044673 /nfs/dbraw/zinc/04/46/73/1032044673.db2.gz GPXZQUNTAUFAPZ-ZIAGYGMSSA-N 1 2 329.444 3.897 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000536646012 1032052271 /nfs/dbraw/zinc/05/22/71/1032052271.db2.gz GPAKHGDCMFFAEA-HNNXBMFYSA-N 1 2 339.361 3.620 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000536646012 1032052289 /nfs/dbraw/zinc/05/22/89/1032052289.db2.gz GPAKHGDCMFFAEA-HNNXBMFYSA-N 1 2 339.361 3.620 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2ccncc2F)ccc1OC(F)F ZINC000449010130 1032052912 /nfs/dbraw/zinc/05/29/12/1032052912.db2.gz KKWYOWHGBPYEEC-UHFFFAOYSA-N 1 2 340.345 3.853 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2ccncc2F)ccc1OC(F)F ZINC000449010130 1032052931 /nfs/dbraw/zinc/05/29/31/1032052931.db2.gz KKWYOWHGBPYEEC-UHFFFAOYSA-N 1 2 340.345 3.853 20 0 EHADLO CCOc1c(C[N@H+]2CC=C(C(F)(F)F)CC2)c(C)nn1CC(C)C ZINC000536659318 1032054059 /nfs/dbraw/zinc/05/40/59/1032054059.db2.gz VMJJAOYMCQEYPA-UHFFFAOYSA-N 1 2 345.409 3.941 20 0 EHADLO CCOc1c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(C)nn1CC(C)C ZINC000536659318 1032054074 /nfs/dbraw/zinc/05/40/74/1032054074.db2.gz VMJJAOYMCQEYPA-UHFFFAOYSA-N 1 2 345.409 3.941 20 0 EHADLO Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3ncccc3O)n2)c1 ZINC000685418744 1033310308 /nfs/dbraw/zinc/31/03/08/1033310308.db2.gz FVXQCTOZRXRXAH-GOSISDBHSA-N 1 2 334.423 3.823 20 0 EHADLO Cc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3ncccc3O)n2)c1 ZINC000685418744 1033310318 /nfs/dbraw/zinc/31/03/18/1033310318.db2.gz FVXQCTOZRXRXAH-GOSISDBHSA-N 1 2 334.423 3.823 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2F)C1 ZINC001140697991 1033312031 /nfs/dbraw/zinc/31/20/31/1033312031.db2.gz OYQKGTGVNHTPIS-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2F)C1 ZINC001140697991 1033312048 /nfs/dbraw/zinc/31/20/48/1033312048.db2.gz OYQKGTGVNHTPIS-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F ZINC000761059765 1033321370 /nfs/dbraw/zinc/32/13/70/1033321370.db2.gz YLIXSJXUCDBGAK-SECBINFHSA-N 1 2 340.267 3.528 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F ZINC000761059765 1033321385 /nfs/dbraw/zinc/32/13/85/1033321385.db2.gz YLIXSJXUCDBGAK-SECBINFHSA-N 1 2 340.267 3.528 20 0 EHADLO CCn1c2ccccc2nc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000139984157 1033328619 /nfs/dbraw/zinc/32/86/19/1033328619.db2.gz RCHNXENCFQSMSJ-UHFFFAOYSA-N 1 2 338.430 3.518 20 0 EHADLO Cc1noc(C)c1CCCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000842031109 1033345780 /nfs/dbraw/zinc/34/57/80/1033345780.db2.gz RMQOHXXKXNGAFJ-UHFFFAOYSA-N 1 2 339.374 3.900 20 0 EHADLO CC(C)(C)OC(=O)N=c1[nH]c(C[NH2+][C@@H]2CCc3cccnc32)cs1 ZINC000898103752 1033349616 /nfs/dbraw/zinc/34/96/16/1033349616.db2.gz LPKKERCMJQNVOZ-CYBMUJFWSA-N 1 2 346.456 3.662 20 0 EHADLO COc1cc(C2(C(=O)Nc3cccc4[nH+]ccn43)CCC2)ccc1C ZINC000607852183 1033360822 /nfs/dbraw/zinc/36/08/22/1033360822.db2.gz QVGWAPNCAKQLJK-UHFFFAOYSA-N 1 2 335.407 3.712 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](CC3CC3)c3ccccc3)[nH+]c12 ZINC000607860848 1033364415 /nfs/dbraw/zinc/36/44/15/1033364415.db2.gz BKXMPFASUBOBNK-IBGZPJMESA-N 1 2 333.435 3.843 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000607870593 1033375327 /nfs/dbraw/zinc/37/53/27/1033375327.db2.gz GNRKFFTVAFWVMT-SKDZVZGDSA-N 1 2 331.847 3.830 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000343805478 1033410159 /nfs/dbraw/zinc/41/01/59/1033410159.db2.gz LCRDDKHPUYDRIS-JKSUJKDBSA-N 1 2 343.496 3.914 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc(-c3ccccc3)nc2)o1 ZINC000608060512 1033455017 /nfs/dbraw/zinc/45/50/17/1033455017.db2.gz FMDQQAFOALCYMT-GOSISDBHSA-N 1 2 337.423 3.776 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608118150 1033479222 /nfs/dbraw/zinc/47/92/22/1033479222.db2.gz XYVNEILFEDBJSU-MRXNPFEDSA-N 1 2 340.442 3.526 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000424204307 1033488206 /nfs/dbraw/zinc/48/82/06/1033488206.db2.gz SETWWBMVKGOATC-CYBMUJFWSA-N 1 2 348.468 3.959 20 0 EHADLO COC(=O)c1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000594733795 1033508248 /nfs/dbraw/zinc/50/82/48/1033508248.db2.gz GNAUDCPQVDPYNJ-UHFFFAOYSA-N 1 2 345.830 3.734 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1csc(-c2ccccc2F)n1 ZINC000460338085 1033508704 /nfs/dbraw/zinc/50/87/04/1033508704.db2.gz YVEUXXJLLJYGJL-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO CCOc1cccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608207436 1033541070 /nfs/dbraw/zinc/54/10/70/1033541070.db2.gz UZTWXABOJRQIQK-IBGZPJMESA-N 1 2 349.434 3.533 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000608206162 1033542352 /nfs/dbraw/zinc/54/23/52/1033542352.db2.gz STZMQJZLSUHNDU-QGZVFWFLSA-N 1 2 339.826 3.787 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC001168295304 1033546580 /nfs/dbraw/zinc/54/65/80/1033546580.db2.gz KQGYFYACBHIVFY-ZWKOTPCHSA-N 1 2 333.472 3.818 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC001168295304 1033546584 /nfs/dbraw/zinc/54/65/84/1033546584.db2.gz KQGYFYACBHIVFY-ZWKOTPCHSA-N 1 2 333.472 3.818 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598965525 1033598565 /nfs/dbraw/zinc/59/85/65/1033598565.db2.gz NQLLXOJXGCKPAT-UHFFFAOYSA-N 1 2 349.500 3.846 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000685597373 1033605090 /nfs/dbraw/zinc/60/50/90/1033605090.db2.gz MNFAXPIZQPJIJK-SFHVURJKSA-N 1 2 347.462 3.968 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651649 1033681209 /nfs/dbraw/zinc/68/12/09/1033681209.db2.gz UACLPWCGIVPNLZ-WBVHZDCISA-N 1 2 334.423 3.819 20 0 EHADLO COC[C@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651238 1033681565 /nfs/dbraw/zinc/68/15/65/1033681565.db2.gz SMSZDCIUSPSNRE-OALUTQOASA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1 ZINC000685651238 1033681576 /nfs/dbraw/zinc/68/15/76/1033681576.db2.gz SMSZDCIUSPSNRE-OALUTQOASA-N 1 2 330.859 3.804 20 0 EHADLO CCC(CC)(CNC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000608410817 1033697330 /nfs/dbraw/zinc/69/73/30/1033697330.db2.gz XETKKQBLFMVHND-UHFFFAOYSA-N 1 2 342.487 3.721 20 0 EHADLO O=C(CCn1cccc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000081257888 1033735899 /nfs/dbraw/zinc/73/58/99/1033735899.db2.gz BISYCTDKKJRJDC-UHFFFAOYSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2Cc3ccccc3OC(C)(C)C2)c[nH+]1 ZINC000653272742 1033751947 /nfs/dbraw/zinc/75/19/47/1033751947.db2.gz WBJPBLZMXSPFJJ-UHFFFAOYSA-N 1 2 339.439 3.581 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000599149901 1033763522 /nfs/dbraw/zinc/76/35/22/1033763522.db2.gz TYSNLRDCZPDFPV-QAQDUYKDSA-N 1 2 334.460 3.583 20 0 EHADLO Cc1nc2ccc(C[NH+]3CCN(Cc4ccsc4)CC3)cc2s1 ZINC000575066301 1033772822 /nfs/dbraw/zinc/77/28/22/1033772822.db2.gz VPUKONVXKXXNCC-UHFFFAOYSA-N 1 2 343.521 3.984 20 0 EHADLO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000030144779 1033813269 /nfs/dbraw/zinc/81/32/69/1033813269.db2.gz VMEYBPDNSMOILR-QWHCGFSZSA-N 1 2 339.277 3.898 20 0 EHADLO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000030144779 1033813281 /nfs/dbraw/zinc/81/32/81/1033813281.db2.gz VMEYBPDNSMOILR-QWHCGFSZSA-N 1 2 339.277 3.898 20 0 EHADLO c1cn(CCCc2nc(-c3cccnc3Oc3ccccc3)no2)c[nH+]1 ZINC000603635448 1033823908 /nfs/dbraw/zinc/82/39/08/1033823908.db2.gz HXPTYIAXVRSIOM-UHFFFAOYSA-N 1 2 347.378 3.753 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000599295980 1033861326 /nfs/dbraw/zinc/86/13/26/1033861326.db2.gz FAJHFDZHSLGVGS-AWEZNQCLSA-N 1 2 335.860 3.886 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000599295980 1033861344 /nfs/dbraw/zinc/86/13/44/1033861344.db2.gz FAJHFDZHSLGVGS-AWEZNQCLSA-N 1 2 335.860 3.886 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608750160 1033861571 /nfs/dbraw/zinc/86/15/71/1033861571.db2.gz MKAZOBQQEYZSTB-CABCVRRESA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608750160 1033861576 /nfs/dbraw/zinc/86/15/76/1033861576.db2.gz MKAZOBQQEYZSTB-CABCVRRESA-N 1 2 331.378 3.724 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H](C(F)(F)F)O1 ZINC000608752035 1033863703 /nfs/dbraw/zinc/86/37/03/1033863703.db2.gz ZXDWHXVOBZDWTF-BXUZGUMPSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@H](C(F)(F)F)O1 ZINC000608752035 1033863711 /nfs/dbraw/zinc/86/37/11/1033863711.db2.gz ZXDWHXVOBZDWTF-BXUZGUMPSA-N 1 2 337.769 3.761 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2=C(c3ccccc3)CCC2)C1 ZINC000450201059 1033884011 /nfs/dbraw/zinc/88/40/11/1033884011.db2.gz XVWVKKGWINGUAW-KRWDZBQOSA-N 1 2 349.478 3.839 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000450212846 1033905593 /nfs/dbraw/zinc/90/55/93/1033905593.db2.gz UCCNTRVODLTZEK-UHFFFAOYSA-N 1 2 347.455 3.784 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000450212846 1033905605 /nfs/dbraw/zinc/90/56/05/1033905605.db2.gz UCCNTRVODLTZEK-UHFFFAOYSA-N 1 2 347.455 3.784 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000603784985 1033920996 /nfs/dbraw/zinc/92/09/96/1033920996.db2.gz DRKGWNDLWIPCKE-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000658096273 1033927162 /nfs/dbraw/zinc/92/71/62/1033927162.db2.gz BWGSTLKAZQSREB-YCPHGPKFSA-N 1 2 344.459 3.822 20 0 EHADLO CN(CC(=O)NC(C)(C)C)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450226327 1033939875 /nfs/dbraw/zinc/93/98/75/1033939875.db2.gz KPQFZOUFSOABIV-UHFFFAOYSA-N 1 2 339.361 3.605 20 0 EHADLO Cc1nn(C[N@@H+](Cc2ccccc2)CC2CCC2)c(=O)c2ccccc12 ZINC000064028025 1033943338 /nfs/dbraw/zinc/94/33/38/1033943338.db2.gz KILBXMCAUGAGTC-UHFFFAOYSA-N 1 2 347.462 3.965 20 0 EHADLO Cc1nn(C[N@H+](Cc2ccccc2)CC2CCC2)c(=O)c2ccccc12 ZINC000064028025 1033943351 /nfs/dbraw/zinc/94/33/51/1033943351.db2.gz KILBXMCAUGAGTC-UHFFFAOYSA-N 1 2 347.462 3.965 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595677418 1033945309 /nfs/dbraw/zinc/94/53/09/1033945309.db2.gz ULHCGNIYNMALCB-GOSISDBHSA-N 1 2 340.423 3.969 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595677418 1033945314 /nfs/dbraw/zinc/94/53/14/1033945314.db2.gz ULHCGNIYNMALCB-GOSISDBHSA-N 1 2 340.423 3.969 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(C(F)(F)F)CCCCC1 ZINC000612064081 1033983646 /nfs/dbraw/zinc/98/36/46/1033983646.db2.gz RFYDMNBWSBSDTR-UHFFFAOYSA-N 1 2 329.366 3.629 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(C(F)(F)F)CCCCC1 ZINC000612064081 1033983657 /nfs/dbraw/zinc/98/36/57/1033983657.db2.gz RFYDMNBWSBSDTR-UHFFFAOYSA-N 1 2 329.366 3.629 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(Br)cn1 ZINC000174592148 1033989566 /nfs/dbraw/zinc/98/95/66/1033989566.db2.gz XHGAGZSVDKHKSZ-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(Br)cn1 ZINC000174592148 1033989571 /nfs/dbraw/zinc/98/95/71/1033989571.db2.gz XHGAGZSVDKHKSZ-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)NCCn2cc[nH+]c2)c1 ZINC000118052110 1034000067 /nfs/dbraw/zinc/00/00/67/1034000067.db2.gz NHJWNHKBWYGGRX-GOSISDBHSA-N 1 2 326.444 3.518 20 0 EHADLO COc1cc(C2(C(=O)Nc3ccc4[nH+]ccn4c3)CCC2)ccc1C ZINC000603883936 1034006604 /nfs/dbraw/zinc/00/66/04/1034006604.db2.gz LESLJHZIUSWHCX-UHFFFAOYSA-N 1 2 335.407 3.712 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(C4CC4)CCC3)cn2c1 ZINC000120654136 1034012843 /nfs/dbraw/zinc/01/28/43/1034012843.db2.gz KRHRJDXZIOYBCH-UHFFFAOYSA-N 1 2 343.496 3.572 20 0 EHADLO Fc1cc2[nH+]ccc(NC[C@H]3CCCOC3)c2cc1Br ZINC000450267910 1034016212 /nfs/dbraw/zinc/01/62/12/1034016212.db2.gz CATMIYCQMFVXPP-SNVBAGLBSA-N 1 2 339.208 3.975 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000456003945 1034016665 /nfs/dbraw/zinc/01/66/65/1034016665.db2.gz FILIVCZWRPURLG-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599589403 1034027064 /nfs/dbraw/zinc/02/70/64/1034027064.db2.gz SIVUCEIZMHNBOZ-MELADBBJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599589403 1034027075 /nfs/dbraw/zinc/02/70/75/1034027075.db2.gz SIVUCEIZMHNBOZ-MELADBBJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CC1CCC(=O)CC1 ZINC000595915964 1034029495 /nfs/dbraw/zinc/02/94/95/1034029495.db2.gz JRQZHMCGBOUXRM-LJQANCHMSA-N 1 2 343.467 3.687 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CC1CCC(=O)CC1 ZINC000595915964 1034029508 /nfs/dbraw/zinc/02/95/08/1034029508.db2.gz JRQZHMCGBOUXRM-LJQANCHMSA-N 1 2 343.467 3.687 20 0 EHADLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2cccnc12 ZINC000056312808 1034030147 /nfs/dbraw/zinc/03/01/47/1034030147.db2.gz KQNMAPSAMCDUNT-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000603917026 1034044157 /nfs/dbraw/zinc/04/41/57/1034044157.db2.gz ZTCIWFISAAOTFN-UHFFFAOYSA-N 1 2 337.354 3.512 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026334 1034060084 /nfs/dbraw/zinc/06/00/84/1034060084.db2.gz XBABLXVQQKZDKJ-ZWKOTPCHSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026334 1034060101 /nfs/dbraw/zinc/06/01/01/1034060101.db2.gz XBABLXVQQKZDKJ-ZWKOTPCHSA-N 1 2 348.437 3.797 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2cnccc2C(F)(F)F)s1 ZINC000596063883 1034065689 /nfs/dbraw/zinc/06/56/89/1034065689.db2.gz YRTNBIAZYSPBMP-UHFFFAOYSA-N 1 2 333.404 3.710 20 0 EHADLO CN(CC1CCCC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870268 1034075853 /nfs/dbraw/zinc/07/58/53/1034075853.db2.gz WWXTWMVXDLSQPF-GOSISDBHSA-N 1 2 340.471 3.536 20 0 EHADLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000119114971 1034088084 /nfs/dbraw/zinc/08/80/84/1034088084.db2.gz BYURUNWTTAMWBY-PEZBUJJGSA-N 1 2 326.465 3.609 20 0 EHADLO CC[C@@H]1c2ccccc2CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000603979309 1034095468 /nfs/dbraw/zinc/09/54/68/1034095468.db2.gz KVNYIRBXFPCSNE-GOSISDBHSA-N 1 2 338.455 3.603 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599679291 1034108193 /nfs/dbraw/zinc/10/81/93/1034108193.db2.gz MPPLEQPZLHARRC-CXAGYDPISA-N 1 2 349.427 3.599 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599679291 1034108206 /nfs/dbraw/zinc/10/82/06/1034108206.db2.gz MPPLEQPZLHARRC-CXAGYDPISA-N 1 2 349.427 3.599 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000596199875 1034109944 /nfs/dbraw/zinc/10/99/44/1034109944.db2.gz JVLDOSOYWYZTCT-CQSZACIVSA-N 1 2 338.329 3.555 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000450329078 1034113855 /nfs/dbraw/zinc/11/38/55/1034113855.db2.gz FFADDWASCADZDR-UHFFFAOYSA-N 1 2 348.443 3.524 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521159 1034127526 /nfs/dbraw/zinc/12/75/26/1034127526.db2.gz SSSNCITVQGVPEL-LRDDRELGSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521159 1034127535 /nfs/dbraw/zinc/12/75/35/1034127535.db2.gz SSSNCITVQGVPEL-LRDDRELGSA-N 1 2 349.887 3.638 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000658268396 1034147384 /nfs/dbraw/zinc/14/73/84/1034147384.db2.gz NFJWVQVNTKUURM-NRFANRHFSA-N 1 2 332.451 3.962 20 0 EHADLO CC[N@H+](Cc1cccc(OC)c1F)Cc1ccc(OC)cc1OC ZINC000669707417 1034150198 /nfs/dbraw/zinc/15/01/98/1034150198.db2.gz APTRRICYZKKOCJ-UHFFFAOYSA-N 1 2 333.403 3.874 20 0 EHADLO CC[N@@H+](Cc1cccc(OC)c1F)Cc1ccc(OC)cc1OC ZINC000669707417 1034150209 /nfs/dbraw/zinc/15/02/09/1034150209.db2.gz APTRRICYZKKOCJ-UHFFFAOYSA-N 1 2 333.403 3.874 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CC(F)(F)C1 ZINC000529544141 1034150808 /nfs/dbraw/zinc/15/08/08/1034150808.db2.gz WMAGBTCIIACRHU-XQQFMLRXSA-N 1 2 325.403 3.541 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]CC2CCC(O)CC2)C(F)F)c1 ZINC000658282803 1034158511 /nfs/dbraw/zinc/15/85/11/1034158511.db2.gz BITJBKLCMNOYCT-PGEKIEPBSA-N 1 2 327.415 3.921 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3ccsc3C2)C2CC2)cc1 ZINC000534126103 1034167012 /nfs/dbraw/zinc/16/70/12/1034167012.db2.gz ASRGZXLJQGDBSE-HXUWFJFHSA-N 1 2 340.492 3.682 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCc3ccsc3C2)C2CC2)cc1 ZINC000534126103 1034167016 /nfs/dbraw/zinc/16/70/16/1034167016.db2.gz ASRGZXLJQGDBSE-HXUWFJFHSA-N 1 2 340.492 3.682 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1CCOCC1 ZINC000642197724 1034201368 /nfs/dbraw/zinc/20/13/68/1034201368.db2.gz QWTBSBWHIFNMJI-AWEZNQCLSA-N 1 2 328.391 3.867 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC000450381390 1034214071 /nfs/dbraw/zinc/21/40/71/1034214071.db2.gz UBIJXZIKBWETMK-UHFFFAOYSA-N 1 2 339.270 3.767 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCc1c(Cl)cccc1Cl)C2 ZINC000450381390 1034214082 /nfs/dbraw/zinc/21/40/82/1034214082.db2.gz UBIJXZIKBWETMK-UHFFFAOYSA-N 1 2 339.270 3.767 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000529567577 1034222272 /nfs/dbraw/zinc/22/22/72/1034222272.db2.gz VGBMWHBPWNNCOE-GOSISDBHSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000450385020 1034242797 /nfs/dbraw/zinc/24/27/97/1034242797.db2.gz BVLLRXSXIPWVLS-LBPRGKRZSA-N 1 2 345.447 3.693 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000450385020 1034242802 /nfs/dbraw/zinc/24/28/02/1034242802.db2.gz BVLLRXSXIPWVLS-LBPRGKRZSA-N 1 2 345.447 3.693 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000599903556 1034245722 /nfs/dbraw/zinc/24/57/22/1034245722.db2.gz XTKBINBAQLTXQY-MOPGFXCFSA-N 1 2 333.435 3.638 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865566 1034289824 /nfs/dbraw/zinc/28/98/24/1034289824.db2.gz RYKVACPDXWCAQX-CYBMUJFWSA-N 1 2 349.887 3.881 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCCc3ccccc3CC2)c1 ZINC000456304624 1034296001 /nfs/dbraw/zinc/29/60/01/1034296001.db2.gz AIDLTOAGXIWKOB-UHFFFAOYSA-N 1 2 345.446 3.812 20 0 EHADLO CC(C)c1nnc(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)n1C ZINC000450427980 1034297419 /nfs/dbraw/zinc/29/74/19/1034297419.db2.gz ULIGOIRAOMYGCH-UHFFFAOYSA-N 1 2 349.360 3.540 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)NCc1ccccc1-n1cc[nH+]c1 ZINC000255740999 1034300964 /nfs/dbraw/zinc/30/09/64/1034300964.db2.gz MXQYRMQILKZDCF-VURMDHGXSA-N 1 2 343.839 3.917 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCCCNc1cccc[nH+]1 ZINC000604267781 1034309350 /nfs/dbraw/zinc/30/93/50/1034309350.db2.gz MBISUHYIBJQPQL-UHFFFAOYSA-N 1 2 345.446 3.910 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(C)s1 ZINC000596595203 1034310236 /nfs/dbraw/zinc/31/02/36/1034310236.db2.gz YODHFCDFAPQYGB-INIZCTEOSA-N 1 2 330.453 3.821 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(C)s1 ZINC000596595203 1034310246 /nfs/dbraw/zinc/31/02/46/1034310246.db2.gz YODHFCDFAPQYGB-INIZCTEOSA-N 1 2 330.453 3.821 20 0 EHADLO O=[S@](CCNc1cc(C2CC2)[nH+]c(C2CC2)n1)Cc1ccccc1 ZINC000892440996 1034311222 /nfs/dbraw/zinc/31/12/22/1034311222.db2.gz YDKYJFXZHDWKON-XMMPIXPASA-N 1 2 341.480 3.592 20 0 EHADLO CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450460132 1034342868 /nfs/dbraw/zinc/34/28/68/1034342868.db2.gz MPLHAUKLTHNNBU-NSHDSACASA-N 1 2 349.837 3.768 20 0 EHADLO COc1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1Br ZINC000529652801 1034362730 /nfs/dbraw/zinc/36/27/30/1034362730.db2.gz QFLHLYLDDRNMSA-UHFFFAOYSA-N 1 2 336.229 3.725 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2cc(F)c(Br)cc2F)o1 ZINC000529664893 1034389563 /nfs/dbraw/zinc/38/95/63/1034389563.db2.gz UMPJMAXYGAZKIJ-UHFFFAOYSA-N 1 2 331.160 3.622 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456393543 1034395381 /nfs/dbraw/zinc/39/53/81/1034395381.db2.gz YBNKQXAAZGJTDI-NVXWUHKLSA-N 1 2 343.858 3.853 20 0 EHADLO COc1ccc([C@H](NC(=O)Nc2cc(C)[nH+]cc2C)C(C)C)cc1 ZINC000534324201 1034396892 /nfs/dbraw/zinc/39/68/92/1034396892.db2.gz VVIRZPXFADABOG-GOSISDBHSA-N 1 2 327.428 3.648 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cscn1 ZINC000534328880 1034403373 /nfs/dbraw/zinc/40/33/73/1034403373.db2.gz QHPAHHGHXZUQMU-CYBMUJFWSA-N 1 2 338.436 3.641 20 0 EHADLO O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cccc2[nH+]ccn21 ZINC000760138157 1034431976 /nfs/dbraw/zinc/43/19/76/1034431976.db2.gz DCPURJQNXYILOT-UHFFFAOYSA-N 1 2 343.346 3.723 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450504504 1034436546 /nfs/dbraw/zinc/43/65/46/1034436546.db2.gz VBLVSUDLXQFQSR-NRFANRHFSA-N 1 2 339.435 3.810 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450504504 1034436556 /nfs/dbraw/zinc/43/65/56/1034436556.db2.gz VBLVSUDLXQFQSR-NRFANRHFSA-N 1 2 339.435 3.810 20 0 EHADLO CC(C)CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000604670780 1034448422 /nfs/dbraw/zinc/44/84/22/1034448422.db2.gz OWVUPMYKXUYCHO-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000604811184 1034512995 /nfs/dbraw/zinc/51/29/95/1034512995.db2.gz CRKYLOXEFDJVGA-MRXNPFEDSA-N 1 2 332.492 3.741 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000604847625 1034524606 /nfs/dbraw/zinc/52/46/06/1034524606.db2.gz XPVAGCFCWWAZRO-AEFFLSMTSA-N 1 2 330.472 3.674 20 0 EHADLO CCCC[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000604935911 1034554945 /nfs/dbraw/zinc/55/49/45/1034554945.db2.gz UPFMYXAAHGIKMJ-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO CCCC[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000604935911 1034554952 /nfs/dbraw/zinc/55/49/52/1034554952.db2.gz UPFMYXAAHGIKMJ-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603710 1034556225 /nfs/dbraw/zinc/55/62/25/1034556225.db2.gz HYBJQTDDBWPTBH-MFKMUULPSA-N 1 2 349.830 3.536 20 0 EHADLO C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603710 1034556230 /nfs/dbraw/zinc/55/62/30/1034556230.db2.gz HYBJQTDDBWPTBH-MFKMUULPSA-N 1 2 349.830 3.536 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000604963659 1034562905 /nfs/dbraw/zinc/56/29/05/1034562905.db2.gz QZJYZNBRVDJCOC-HJWRWDBZSA-N 1 2 338.436 3.929 20 0 EHADLO c1cc([C@H]2CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)[nH]n1 ZINC000121220155 1034566106 /nfs/dbraw/zinc/56/61/06/1034566106.db2.gz YSTNTHKTKRPCOC-KRWDZBQOSA-N 1 2 348.450 3.763 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628241425 1034620848 /nfs/dbraw/zinc/62/08/48/1034620848.db2.gz VMOQLAANICBJMP-NHYWBVRUSA-N 1 2 342.340 3.569 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628241425 1034620854 /nfs/dbraw/zinc/62/08/54/1034620854.db2.gz VMOQLAANICBJMP-NHYWBVRUSA-N 1 2 342.340 3.569 20 0 EHADLO O=C(N[C@@H](c1ccccn1)C1CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000529824603 1034630941 /nfs/dbraw/zinc/63/09/41/1034630941.db2.gz GBKAPVDGRJZGQB-HXUWFJFHSA-N 1 2 346.434 3.598 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1C ZINC000534544371 1034640281 /nfs/dbraw/zinc/64/02/81/1034640281.db2.gz ZZFHCPLWEKCULU-CQSZACIVSA-N 1 2 340.389 3.675 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1C ZINC000534544371 1034640284 /nfs/dbraw/zinc/64/02/84/1034640284.db2.gz ZZFHCPLWEKCULU-CQSZACIVSA-N 1 2 340.389 3.675 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(C)n1C ZINC000605153965 1034650950 /nfs/dbraw/zinc/65/09/50/1034650950.db2.gz FSEQZRXVCBACHU-LJQANCHMSA-N 1 2 328.481 3.615 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(C)n1C ZINC000605153965 1034650956 /nfs/dbraw/zinc/65/09/56/1034650956.db2.gz FSEQZRXVCBACHU-LJQANCHMSA-N 1 2 328.481 3.615 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450659769 1034652083 /nfs/dbraw/zinc/65/20/83/1034652083.db2.gz IZULXLQDPWNTBK-GFCCVEGCSA-N 1 2 327.350 3.613 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccs1 ZINC000007846764 1034702737 /nfs/dbraw/zinc/70/27/37/1034702737.db2.gz XHUYODNZWWNDIG-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccs1 ZINC000007846764 1034702749 /nfs/dbraw/zinc/70/27/49/1034702749.db2.gz XHUYODNZWWNDIG-UHFFFAOYSA-N 1 2 339.258 3.581 20 0 EHADLO Cc1cc(C)cc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000303196382 1034735397 /nfs/dbraw/zinc/73/53/97/1034735397.db2.gz NIXDSHNZJBGTML-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCN2c3ccccc3CC[C@@H]2C)c[nH+]1 ZINC000456826397 1034771538 /nfs/dbraw/zinc/77/15/38/1034771538.db2.gz AVQQQBQJOJKDSJ-KRWDZBQOSA-N 1 2 337.467 3.546 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccccc2COC(C)(C)C)c[nH+]1 ZINC000456829570 1034774628 /nfs/dbraw/zinc/77/46/28/1034774628.db2.gz CONYRVCZKSLPNN-UHFFFAOYSA-N 1 2 326.440 3.944 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000456836970 1034779585 /nfs/dbraw/zinc/77/95/85/1034779585.db2.gz KFKMGVQEWYSIOO-KBPBESRZSA-N 1 2 332.806 3.911 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000612324762 1034785828 /nfs/dbraw/zinc/78/58/28/1034785828.db2.gz ZEHNAKRBEVRJAX-UHFFFAOYSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1c(C(=O)NCc2c[nH+]c(C)cc2C)sc2nccc(C)c12 ZINC000456859613 1034793222 /nfs/dbraw/zinc/79/32/22/1034793222.db2.gz MUDRZNIHDFUUPR-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO COc1ccc(S[C@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456861677 1034794218 /nfs/dbraw/zinc/79/42/18/1034794218.db2.gz PBOBMEPBYSYREE-CQSZACIVSA-N 1 2 330.453 3.504 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529943020 1034804048 /nfs/dbraw/zinc/80/40/48/1034804048.db2.gz KALJDQLMFWRWFC-DYVFJYSZSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529943020 1034804062 /nfs/dbraw/zinc/80/40/62/1034804062.db2.gz KALJDQLMFWRWFC-DYVFJYSZSA-N 1 2 329.419 3.522 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456850151 1034807891 /nfs/dbraw/zinc/80/78/91/1034807891.db2.gz VYBLTVRKZZTJHG-MRXNPFEDSA-N 1 2 332.831 3.826 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000601945630 1034830901 /nfs/dbraw/zinc/83/09/01/1034830901.db2.gz UXOUEXJOKNGXMR-LJQANCHMSA-N 1 2 337.467 3.567 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000601945629 1034831052 /nfs/dbraw/zinc/83/10/52/1034831052.db2.gz UXOUEXJOKNGXMR-IBGZPJMESA-N 1 2 337.467 3.567 20 0 EHADLO OCC1(CCNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450835372 1034833013 /nfs/dbraw/zinc/83/30/13/1034833013.db2.gz OBGUATJZXIUREC-UHFFFAOYSA-N 1 2 339.208 3.711 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000375929358 1034942378 /nfs/dbraw/zinc/94/23/78/1034942378.db2.gz CESFNRCLEWXAFC-IBGZPJMESA-N 1 2 339.483 3.567 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375930736 1034945756 /nfs/dbraw/zinc/94/57/56/1034945756.db2.gz JAMKLNPDXSXNHW-HNNXBMFYSA-N 1 2 343.446 3.586 20 0 EHADLO CC[C@@H]1C[C@@]1([NH2+]Cc1nc(C(=O)OC)cs1)c1cccc(C)c1 ZINC000450924926 1034950377 /nfs/dbraw/zinc/95/03/77/1034950377.db2.gz WEEACYDXDKSSCO-ACJLOTCBSA-N 1 2 330.453 3.653 20 0 EHADLO Cc1cc(C(F)(F)F)c(=O)n(C[N@@H+](C)C[C@H](C)C2CCCCC2)n1 ZINC000530108084 1034969270 /nfs/dbraw/zinc/96/92/70/1034969270.db2.gz KCVWVOZPIGGERR-LBPRGKRZSA-N 1 2 345.409 3.676 20 0 EHADLO Cc1cc(C(F)(F)F)c(=O)n(C[N@H+](C)C[C@H](C)C2CCCCC2)n1 ZINC000530108084 1034969281 /nfs/dbraw/zinc/96/92/81/1034969281.db2.gz KCVWVOZPIGGERR-LBPRGKRZSA-N 1 2 345.409 3.676 20 0 EHADLO OCCC[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450950562 1034975119 /nfs/dbraw/zinc/97/51/19/1034975119.db2.gz DAGGNDOLYPKQIS-LBPRGKRZSA-N 1 2 335.245 3.596 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(C(C)C)c1 ZINC000612668026 1035152854 /nfs/dbraw/zinc/15/28/54/1035152854.db2.gz LEQKOQWSDVKJFR-UHFFFAOYSA-N 1 2 339.439 3.602 20 0 EHADLO Cc1ccoc1CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000612795579 1035230889 /nfs/dbraw/zinc/23/08/89/1035230889.db2.gz AJBRUUXHCKOPGQ-GOSISDBHSA-N 1 2 337.423 3.502 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nn(CC)nc2C)cc1OCC ZINC000924559457 1035268270 /nfs/dbraw/zinc/26/82/70/1035268270.db2.gz QYSXILWTMYLWBQ-KBPBESRZSA-N 1 2 346.475 3.816 20 0 EHADLO CC(C)c1cc(Br)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005593 1035349458 /nfs/dbraw/zinc/34/94/58/1035349458.db2.gz MISMIRVXGCSEJQ-CYBMUJFWSA-N 1 2 334.204 3.949 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)CC(C)(C)C ZINC000613175189 1035439141 /nfs/dbraw/zinc/43/91/41/1035439141.db2.gz OPXZZWCNVPKMBR-GOSISDBHSA-N 1 2 346.515 3.672 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)s1 ZINC000414079418 1035455799 /nfs/dbraw/zinc/45/57/99/1035455799.db2.gz CDQWCBLOCGJEKZ-OCCSQVGLSA-N 1 2 333.457 3.681 20 0 EHADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157521466 1035468414 /nfs/dbraw/zinc/46/84/14/1035468414.db2.gz LBPPEHVOJVBRBZ-CYBMUJFWSA-N 1 2 348.878 3.907 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(OCC(F)(F)F)c1 ZINC000414091670 1035476165 /nfs/dbraw/zinc/47/61/65/1035476165.db2.gz DUSRNWLESAAWOJ-LBPRGKRZSA-N 1 2 327.350 3.520 20 0 EHADLO CCCCn1ncc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000492217275 1035499340 /nfs/dbraw/zinc/49/93/40/1035499340.db2.gz AXZBNHLFEJLFCT-YFHOEESVSA-N 1 2 349.438 3.829 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000463448391 1035516049 /nfs/dbraw/zinc/51/60/49/1035516049.db2.gz ZQKKBKBLTUQECG-IBGZPJMESA-N 1 2 342.508 3.832 20 0 EHADLO COc1cccc2c1[C@@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000431794717 1035520123 /nfs/dbraw/zinc/52/01/23/1035520123.db2.gz BDNQIUNQUAPRSP-KRWDZBQOSA-N 1 2 333.391 3.549 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(F)s2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001127245993 1035520310 /nfs/dbraw/zinc/52/03/10/1035520310.db2.gz KZPCSWQPMHHTGZ-KGLIPLIRSA-N 1 2 332.444 3.622 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(F)s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001127245993 1035520321 /nfs/dbraw/zinc/52/03/21/1035520321.db2.gz KZPCSWQPMHHTGZ-KGLIPLIRSA-N 1 2 332.444 3.622 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)o1 ZINC000492270563 1035566727 /nfs/dbraw/zinc/56/67/27/1035566727.db2.gz DIKLTLFVWSUXGO-UHFFFAOYSA-N 1 2 348.491 3.785 20 0 EHADLO Cc1cc(NC(=O)c2cnc(Cc3ccccc3F)s2)cc[nH+]1 ZINC000186026093 1035567487 /nfs/dbraw/zinc/56/74/87/1035567487.db2.gz GEKJIJMDEZMBLP-UHFFFAOYSA-N 1 2 327.384 3.829 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000492286540 1035577162 /nfs/dbraw/zinc/57/71/62/1035577162.db2.gz ITOZKGVHXQOXQV-BSDIHXDHSA-N 1 2 344.418 3.548 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC1CCC(F)(F)CC1 ZINC000492294799 1035592708 /nfs/dbraw/zinc/59/27/08/1035592708.db2.gz BRAKOXRWDTYSJP-ZZXKWVIFSA-N 1 2 331.366 3.580 20 0 EHADLO CC(C)[C@H](N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000540746399 1035656087 /nfs/dbraw/zinc/65/60/87/1035656087.db2.gz XFOWUMSVQKASRI-QAPCUYQASA-N 1 2 343.471 3.889 20 0 EHADLO COC[C@H](C)[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000463587437 1035675379 /nfs/dbraw/zinc/67/53/79/1035675379.db2.gz GDXSLNQAPWJZGG-GJZGRUSLSA-N 1 2 341.455 3.744 20 0 EHADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)sc1-c1ccc(F)cc1 ZINC000588085191 1035706904 /nfs/dbraw/zinc/70/69/04/1035706904.db2.gz DYXALLXWLZIPQT-ZDUSSCGKSA-N 1 2 343.427 3.878 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000613398594 1035752234 /nfs/dbraw/zinc/75/22/34/1035752234.db2.gz LHPQCCIRDIUEIT-UHFFFAOYSA-N 1 2 330.497 3.853 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(CSC)c2)s1 ZINC000414148005 1035758265 /nfs/dbraw/zinc/75/82/65/1035758265.db2.gz WOHQDINDEOYCNR-LLVKDONJSA-N 1 2 336.482 3.644 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ccc(Br)s2)c(C)[nH+]1 ZINC000187143859 1035768253 /nfs/dbraw/zinc/76/82/53/1035768253.db2.gz ZSUIQOKTMJIWHW-SFHVURJKSA-N 1 2 344.299 3.971 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[nH+]c12 ZINC000540893533 1035771873 /nfs/dbraw/zinc/77/18/73/1035771873.db2.gz DHNLZGNGHLEYEB-ZDUSSCGKSA-N 1 2 341.377 3.669 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2cc(-c3ccccc3)on2)c(C)[nH+]1 ZINC000187157787 1035776330 /nfs/dbraw/zinc/77/63/30/1035776330.db2.gz KLOBZFGKEFXTBS-QHCPKHFHSA-N 1 2 326.421 3.802 20 0 EHADLO CN1CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@H](c2ccccc2)C1 ZINC000534938385 1035783322 /nfs/dbraw/zinc/78/33/22/1035783322.db2.gz DVTUKFMLZSUQDK-NRFANRHFSA-N 1 2 333.435 3.830 20 0 EHADLO CN1CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@H](c2ccccc2)C1 ZINC000534938385 1035783336 /nfs/dbraw/zinc/78/33/36/1035783336.db2.gz DVTUKFMLZSUQDK-NRFANRHFSA-N 1 2 333.435 3.830 20 0 EHADLO Fc1ccc(-n2ccc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000174186977 1035831958 /nfs/dbraw/zinc/83/19/58/1035831958.db2.gz RKEQQFZHYKIMPX-UHFFFAOYSA-N 1 2 327.325 3.786 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)ccn12 ZINC000571938877 1035841793 /nfs/dbraw/zinc/84/17/93/1035841793.db2.gz LZEXQGAGCUGZJN-CYBMUJFWSA-N 1 2 325.416 3.699 20 0 EHADLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCC[C@@H](c1cccnc1)C2 ZINC000507700418 1035842825 /nfs/dbraw/zinc/84/28/25/1035842825.db2.gz WOYBCCHWUILOAR-DYESRHJHSA-N 1 2 341.499 3.980 20 0 EHADLO Cc1cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c(C)c[nH+]1 ZINC000535036554 1035917129 /nfs/dbraw/zinc/91/71/29/1035917129.db2.gz URACRUPUEXWIMY-UHFFFAOYSA-N 1 2 346.434 3.501 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457273594 1035928033 /nfs/dbraw/zinc/92/80/33/1035928033.db2.gz IDBJQWCGKCNNEA-APWZRJJASA-N 1 2 335.451 3.974 20 0 EHADLO COc1ccc2ccccc2c1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000535060957 1035971466 /nfs/dbraw/zinc/97/14/66/1035971466.db2.gz PTDHXLPGIZLWFP-UHFFFAOYSA-N 1 2 335.407 3.604 20 0 EHADLO CCc1cc(N2C[C@H](c3ccccc3Cl)OC[C@H]2C)nc(C)[nH+]1 ZINC000541090345 1035978055 /nfs/dbraw/zinc/97/80/55/1035978055.db2.gz ODMHRKHQXRFXEF-SJKOYZFVSA-N 1 2 331.847 3.967 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)c1ccc(Oc2ccccc2)cc1 ZINC000188801572 1035978553 /nfs/dbraw/zinc/97/85/53/1035978553.db2.gz IFBLOXMJBOOGIO-UHFFFAOYSA-N 1 2 335.407 3.808 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000188940510 1036017883 /nfs/dbraw/zinc/01/78/83/1036017883.db2.gz OOIPXURSJOZBNT-CQSZACIVSA-N 1 2 339.270 3.784 20 0 EHADLO O=C(NCC1CCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000332747323 1036048360 /nfs/dbraw/zinc/04/83/60/1036048360.db2.gz NOHWLFCWYHTYTR-MOPGFXCFSA-N 1 2 338.455 3.601 20 0 EHADLO COc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000613486029 1036050261 /nfs/dbraw/zinc/05/02/61/1036050261.db2.gz LQJUTZZAMNNHQD-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000613486029 1036050281 /nfs/dbraw/zinc/05/02/81/1036050281.db2.gz LQJUTZZAMNNHQD-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163173 1036052012 /nfs/dbraw/zinc/05/20/12/1036052012.db2.gz KMSNFANPPSNQCL-UXEPBGEESA-N 1 2 342.405 3.792 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163173 1036052032 /nfs/dbraw/zinc/05/20/32/1036052032.db2.gz KMSNFANPPSNQCL-UXEPBGEESA-N 1 2 342.405 3.792 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541180335 1036063669 /nfs/dbraw/zinc/06/36/69/1036063669.db2.gz OJMBYBQCZLXAGZ-KRWDZBQOSA-N 1 2 334.508 3.910 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1)NCC(F)(F)F ZINC000541201667 1036074403 /nfs/dbraw/zinc/07/44/03/1036074403.db2.gz UGCZQCQKXGBRMI-MEJMFZKBSA-N 1 2 346.418 3.684 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1)NCC(F)(F)F ZINC000541201667 1036074427 /nfs/dbraw/zinc/07/44/27/1036074427.db2.gz UGCZQCQKXGBRMI-MEJMFZKBSA-N 1 2 346.418 3.684 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572376685 1036091987 /nfs/dbraw/zinc/09/19/87/1036091987.db2.gz QJFZYICKWJWIDN-ZDUSSCGKSA-N 1 2 329.444 3.851 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572376685 1036092006 /nfs/dbraw/zinc/09/20/06/1036092006.db2.gz QJFZYICKWJWIDN-ZDUSSCGKSA-N 1 2 329.444 3.851 20 0 EHADLO CCOc1ccc(/C=[NH+]/CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000032074516 1036101197 /nfs/dbraw/zinc/10/11/97/1036101197.db2.gz XUHPSUGJWUIQQA-PXLXIMEGSA-N 1 2 339.435 3.958 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000613501962 1036130731 /nfs/dbraw/zinc/13/07/31/1036130731.db2.gz SFPOJJQULSHVSI-HNNXBMFYSA-N 1 2 339.439 3.624 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000613501962 1036130736 /nfs/dbraw/zinc/13/07/36/1036130736.db2.gz SFPOJJQULSHVSI-HNNXBMFYSA-N 1 2 339.439 3.624 20 0 EHADLO c1cc(-c2nc(CN3CC[NH+](Cc4ccsc4)CC3)cs2)co1 ZINC000535260967 1036251162 /nfs/dbraw/zinc/25/11/62/1036251162.db2.gz IPABYXPTWRXVEP-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(F)c(C)c1 ZINC000492824521 1036323888 /nfs/dbraw/zinc/32/38/88/1036323888.db2.gz FJUFASCWEPYJDW-NTMALXAHSA-N 1 2 343.446 3.845 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175333955 1036337843 /nfs/dbraw/zinc/33/78/43/1036337843.db2.gz HINNUBVJIITCQH-HWKANZROSA-N 1 2 349.409 3.790 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000191406156 1036378462 /nfs/dbraw/zinc/37/84/62/1036378462.db2.gz DTVRSLIXYQEIOD-FQEVSTJZSA-N 1 2 335.451 3.645 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000191406156 1036378482 /nfs/dbraw/zinc/37/84/82/1036378482.db2.gz DTVRSLIXYQEIOD-FQEVSTJZSA-N 1 2 335.451 3.645 20 0 EHADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000669968648 1036387959 /nfs/dbraw/zinc/38/79/59/1036387959.db2.gz JBRIPVNLVGHWBM-CQSZACIVSA-N 1 2 335.407 3.915 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175503712 1036389334 /nfs/dbraw/zinc/38/93/34/1036389334.db2.gz MZROCNMENHVTHY-KRWDZBQOSA-N 1 2 346.519 3.542 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2COCc3ccccc32)nnn1-c1ccc(C)cc1 ZINC000572585725 1036390792 /nfs/dbraw/zinc/39/07/92/1036390792.db2.gz LWDAGWKRJRNPSW-YWZLYKJASA-N 1 2 348.450 3.806 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669904873 1036465683 /nfs/dbraw/zinc/46/56/83/1036465683.db2.gz DFAQHUZHABKEBC-CYBMUJFWSA-N 1 2 340.814 3.562 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ncccn3)s2)cc1 ZINC000192182975 1036483955 /nfs/dbraw/zinc/48/39/55/1036483955.db2.gz YJULKFRIDOGZOF-LBPRGKRZSA-N 1 2 340.452 3.768 20 0 EHADLO O=C(CCCn1cc[nH+]c1)O[C@H]1CCc2c1cccc2OCC1CC1 ZINC000157110110 1036502980 /nfs/dbraw/zinc/50/29/80/1036502980.db2.gz FEWZDWCCNIUAJS-IBGZPJMESA-N 1 2 340.423 3.683 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000414292288 1036503353 /nfs/dbraw/zinc/50/33/53/1036503353.db2.gz BYAAQCSUZIKSKX-STQMWFEESA-N 1 2 347.488 3.824 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000464498254 1036511582 /nfs/dbraw/zinc/51/15/82/1036511582.db2.gz ISKXNCKVQUWDNC-INIZCTEOSA-N 1 2 335.492 3.798 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000464498254 1036511587 /nfs/dbraw/zinc/51/15/87/1036511587.db2.gz ISKXNCKVQUWDNC-INIZCTEOSA-N 1 2 335.492 3.798 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589603581 1036543382 /nfs/dbraw/zinc/54/33/82/1036543382.db2.gz YQKGWAUGOHXALZ-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589603581 1036543392 /nfs/dbraw/zinc/54/33/92/1036543392.db2.gz YQKGWAUGOHXALZ-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000589601177 1036545079 /nfs/dbraw/zinc/54/50/79/1036545079.db2.gz IGYVEJWKAPJMFX-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000589601177 1036545088 /nfs/dbraw/zinc/54/50/88/1036545088.db2.gz IGYVEJWKAPJMFX-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000589636762 1036566766 /nfs/dbraw/zinc/56/67/66/1036566766.db2.gz SBVHPEDJUDICKW-HXUWFJFHSA-N 1 2 337.423 3.821 20 0 EHADLO CCC[N@@H+](Cc1nccn1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000170958220 1036575581 /nfs/dbraw/zinc/57/55/81/1036575581.db2.gz QBOLXHBMVYETSK-INIZCTEOSA-N 1 2 329.444 3.516 20 0 EHADLO CCC[N@H+](Cc1nccn1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000170958220 1036575594 /nfs/dbraw/zinc/57/55/94/1036575594.db2.gz QBOLXHBMVYETSK-INIZCTEOSA-N 1 2 329.444 3.516 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000464585632 1036579315 /nfs/dbraw/zinc/57/93/15/1036579315.db2.gz NEDQUHFIHWLCTR-IBGZPJMESA-N 1 2 345.512 3.915 20 0 EHADLO CCOCCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464590532 1036583410 /nfs/dbraw/zinc/58/34/10/1036583410.db2.gz BTRGATNUADTIMH-UHFFFAOYSA-N 1 2 332.669 3.887 20 0 EHADLO CCOCCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464590532 1036583421 /nfs/dbraw/zinc/58/34/21/1036583421.db2.gz BTRGATNUADTIMH-UHFFFAOYSA-N 1 2 332.669 3.887 20 0 EHADLO CC[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@H]1CCCO1 ZINC000175901807 1036605641 /nfs/dbraw/zinc/60/56/41/1036605641.db2.gz BSSLPGXXAZJMMC-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO CC[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@H]1CCCO1 ZINC000175901807 1036605649 /nfs/dbraw/zinc/60/56/49/1036605649.db2.gz BSSLPGXXAZJMMC-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000376418998 1036651968 /nfs/dbraw/zinc/65/19/68/1036651968.db2.gz FDBMLKLOMJVIAL-DOTOQJQBSA-N 1 2 345.874 3.655 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000414340489 1036777846 /nfs/dbraw/zinc/77/78/46/1036777846.db2.gz ULFOADOPDYJGJU-GVDBMIGSSA-N 1 2 346.450 3.605 20 0 EHADLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ncc(CSC)s1 ZINC000590184417 1036788517 /nfs/dbraw/zinc/78/85/17/1036788517.db2.gz MBZMQJLLFMMAFD-CQSZACIVSA-N 1 2 336.482 3.628 20 0 EHADLO COC[C@@H](C)[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000462313680 1036805341 /nfs/dbraw/zinc/80/53/41/1036805341.db2.gz DDNZVINBXAOWMN-CABCVRRESA-N 1 2 341.455 3.744 20 0 EHADLO Cc1noc(C)c1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000584511709 1036822524 /nfs/dbraw/zinc/82/25/24/1036822524.db2.gz JNEFMKMVIZTLMT-AWEZNQCLSA-N 1 2 332.791 3.646 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c(N(C)C)[nH+]1 ZINC000162261905 1036828210 /nfs/dbraw/zinc/82/82/10/1036828210.db2.gz YLRDJZWXWZNOAS-GFCCVEGCSA-N 1 2 348.397 3.959 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C)cc1 ZINC000103298937 1036882357 /nfs/dbraw/zinc/88/23/57/1036882357.db2.gz YLTUMCPHNCSJMT-GOSISDBHSA-N 1 2 326.444 3.689 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Cl)c(C)c2)c1C ZINC000177692135 1036912523 /nfs/dbraw/zinc/91/25/23/1036912523.db2.gz RCUGESBAIJNHQU-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO CC(C)c1csc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000177724508 1036921583 /nfs/dbraw/zinc/92/15/83/1036921583.db2.gz ZPHXKHWZSVSNFS-OCCSQVGLSA-N 1 2 333.461 3.578 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc3[nH+]c(C)cn3c1)CCC2 ZINC000653609726 1036941309 /nfs/dbraw/zinc/94/13/09/1036941309.db2.gz AXZRXTYQCUXRBL-KRWDZBQOSA-N 1 2 335.407 3.710 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000541983703 1036945348 /nfs/dbraw/zinc/94/53/48/1036945348.db2.gz QVDQHAJKFKYLAX-INIZCTEOSA-N 1 2 328.437 3.789 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nccn2C2CC2)c1)C1CCCC1 ZINC000892633224 1036958773 /nfs/dbraw/zinc/95/87/73/1036958773.db2.gz BMZCSUTXWANOPQ-UHFFFAOYSA-N 1 2 338.455 3.637 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590617129 1036969939 /nfs/dbraw/zinc/96/99/39/1036969939.db2.gz AHYADLZZJZHSIV-QZTJIDSGSA-N 1 2 344.503 3.840 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 ZINC000311185676 1036970359 /nfs/dbraw/zinc/97/03/59/1036970359.db2.gz ATCWENDBSRVFMU-UHFFFAOYSA-N 1 2 344.459 3.882 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000590638867 1036979631 /nfs/dbraw/zinc/97/96/31/1036979631.db2.gz GDFFYSMDFRZEQJ-AWEZNQCLSA-N 1 2 336.819 3.787 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000590638867 1036979643 /nfs/dbraw/zinc/97/96/43/1036979643.db2.gz GDFFYSMDFRZEQJ-AWEZNQCLSA-N 1 2 336.819 3.787 20 0 EHADLO CC(C)c1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000462451913 1036988307 /nfs/dbraw/zinc/98/83/07/1036988307.db2.gz LRHCSJRWDZYCJO-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590650491 1036990195 /nfs/dbraw/zinc/99/01/95/1036990195.db2.gz DKFMLFONTGLGPW-HNNXBMFYSA-N 1 2 336.819 3.787 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590650491 1036990205 /nfs/dbraw/zinc/99/02/05/1036990205.db2.gz DKFMLFONTGLGPW-HNNXBMFYSA-N 1 2 336.819 3.787 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414366853 1037021171 /nfs/dbraw/zinc/02/11/71/1037021171.db2.gz CNNGUZBLFATAPD-AWEZNQCLSA-N 1 2 337.510 3.952 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414366853 1037021190 /nfs/dbraw/zinc/02/11/90/1037021190.db2.gz CNNGUZBLFATAPD-AWEZNQCLSA-N 1 2 337.510 3.952 20 0 EHADLO CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCCC1 ZINC000464978866 1037045328 /nfs/dbraw/zinc/04/53/28/1037045328.db2.gz CWGVEPRCUZLBMN-QGZVFWFLSA-N 1 2 344.499 3.871 20 0 EHADLO CC(C)Cc1ncc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000162812196 1037046495 /nfs/dbraw/zinc/04/64/95/1037046495.db2.gz HRUJVDNFSSYLQG-CQSZACIVSA-N 1 2 341.484 3.773 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2c([nH+]1)CCCC2 ZINC000892640851 1037047657 /nfs/dbraw/zinc/04/76/57/1037047657.db2.gz PICOLEXNBCHVRP-CYBMUJFWSA-N 1 2 337.423 3.600 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000178501865 1037054394 /nfs/dbraw/zinc/05/43/94/1037054394.db2.gz NTQKNEHUIWJALV-KRWDZBQOSA-N 1 2 342.487 3.552 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000666451508 1037067098 /nfs/dbraw/zinc/06/70/98/1037067098.db2.gz YLZPBJLSKODCQV-PBHICJAKSA-N 1 2 333.863 3.871 20 0 EHADLO CCCC[N@@H+](Cc1ccccc1F)Cc1nc(N)c2ccccc2n1 ZINC000542101385 1037073912 /nfs/dbraw/zinc/07/39/12/1037073912.db2.gz UXGNVNWOENBGQL-UHFFFAOYSA-N 1 2 338.430 3.984 20 0 EHADLO CCCC[N@H+](Cc1ccccc1F)Cc1nc(N)c2ccccc2n1 ZINC000542101385 1037073934 /nfs/dbraw/zinc/07/39/34/1037073934.db2.gz UXGNVNWOENBGQL-UHFFFAOYSA-N 1 2 338.430 3.984 20 0 EHADLO CCc1nocc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666455318 1037077764 /nfs/dbraw/zinc/07/77/64/1037077764.db2.gz QSLQTFOPODQFCY-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000590846138 1037081521 /nfs/dbraw/zinc/08/15/21/1037081521.db2.gz LNHMPRZXGOHBES-QZTJIDSGSA-N 1 2 326.444 3.689 20 0 EHADLO CCCC[C@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OC(C)(C)C ZINC000462539136 1037094403 /nfs/dbraw/zinc/09/44/03/1037094403.db2.gz PWVJWPKGJCFDOE-INIZCTEOSA-N 1 2 331.460 3.633 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000892644554 1037094737 /nfs/dbraw/zinc/09/47/37/1037094737.db2.gz FMRYMVMOACVKTP-LBPRGKRZSA-N 1 2 344.484 3.690 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000176644247 1037108243 /nfs/dbraw/zinc/10/82/43/1037108243.db2.gz SLUOQBOCNWIRQJ-JUGMSXHOSA-N 1 2 349.478 3.699 20 0 EHADLO CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000104827856 1037111642 /nfs/dbraw/zinc/11/16/42/1037111642.db2.gz JCCYWSQYIIELIE-UHFFFAOYSA-N 1 2 325.412 3.514 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539721191 1037123320 /nfs/dbraw/zinc/12/33/20/1037123320.db2.gz QVYPIJRWUUNQQH-HXUWFJFHSA-N 1 2 327.399 3.646 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539721191 1037123333 /nfs/dbraw/zinc/12/33/33/1037123333.db2.gz QVYPIJRWUUNQQH-HXUWFJFHSA-N 1 2 327.399 3.646 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(C)nn1 ZINC000414378625 1037139640 /nfs/dbraw/zinc/13/96/40/1037139640.db2.gz HCJWUIXKVJOPSN-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(C)nn1 ZINC000414378625 1037139646 /nfs/dbraw/zinc/13/96/46/1037139646.db2.gz HCJWUIXKVJOPSN-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000105062704 1037145457 /nfs/dbraw/zinc/14/54/57/1037145457.db2.gz LIEZNUKYRUXLDX-QGZVFWFLSA-N 1 2 346.862 3.767 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(Br)cc1F ZINC000590936977 1037149363 /nfs/dbraw/zinc/14/93/63/1037149363.db2.gz BLUOODQXLCJUQW-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000590936977 1037149374 /nfs/dbraw/zinc/14/93/74/1037149374.db2.gz BLUOODQXLCJUQW-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)c2)cs1 ZINC000573003808 1037153558 /nfs/dbraw/zinc/15/35/58/1037153558.db2.gz ALPIRNOLLFJKLG-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000573003130 1037153663 /nfs/dbraw/zinc/15/36/63/1037153663.db2.gz CWMQLTNZRLYGMG-LJQANCHMSA-N 1 2 346.434 3.799 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655748922 1037183469 /nfs/dbraw/zinc/18/34/69/1037183469.db2.gz NCMQEFIKZKUQMU-INIZCTEOSA-N 1 2 327.472 3.995 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC(C)(C)CC ZINC000465167246 1037203993 /nfs/dbraw/zinc/20/39/93/1037203993.db2.gz SXOTUHLAADQFAO-UHFFFAOYSA-N 1 2 331.504 3.973 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000539819245 1037240631 /nfs/dbraw/zinc/24/06/31/1037240631.db2.gz SNLTVJOWLZHXSK-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000539819245 1037240640 /nfs/dbraw/zinc/24/06/40/1037240640.db2.gz SNLTVJOWLZHXSK-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1 ZINC000028621766 1037267552 /nfs/dbraw/zinc/26/75/52/1037267552.db2.gz LVKFHEQJHODPCV-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000542309356 1037276658 /nfs/dbraw/zinc/27/66/58/1037276658.db2.gz FZWUILPCXZBSDG-ZDUSSCGKSA-N 1 2 330.375 3.548 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CSCc3ccccc32)s1 ZINC000591239111 1037283869 /nfs/dbraw/zinc/28/38/69/1037283869.db2.gz XLJJGCONEJRKCB-GWCFXTLKSA-N 1 2 334.466 3.568 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)o1 ZINC000223618937 1037286279 /nfs/dbraw/zinc/28/62/79/1037286279.db2.gz XYRHEWDYBXOANR-JTQLQIEISA-N 1 2 339.233 3.859 20 0 EHADLO C[C@H](c1nncn1C)[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000376499676 1037287004 /nfs/dbraw/zinc/28/70/04/1037287004.db2.gz DOQJHYYLVZSSSI-LLVKDONJSA-N 1 2 337.254 3.972 20 0 EHADLO C[C@H](c1nncn1C)[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000376499676 1037287021 /nfs/dbraw/zinc/28/70/21/1037287021.db2.gz DOQJHYYLVZSSSI-LLVKDONJSA-N 1 2 337.254 3.972 20 0 EHADLO Cc1nc(-c2cc([C@H](C)[NH2+]Cc3nnc4n3CCC4)cs2)cs1 ZINC000532457727 1037342201 /nfs/dbraw/zinc/34/22/01/1037342201.db2.gz JMIVMPUHYKWUBL-JTQLQIEISA-N 1 2 345.497 3.569 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccc(S(C)(=O)=O)cc1 ZINC000301156410 1037360522 /nfs/dbraw/zinc/36/05/22/1037360522.db2.gz NKFAQLIBELKWPW-UHFFFAOYSA-N 1 2 326.421 3.559 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCc1ccccc1F)C1CCCC1 ZINC000493459099 1037370719 /nfs/dbraw/zinc/37/07/19/1037370719.db2.gz UARPSIZCFPQDSX-MDZDMXLPSA-N 1 2 327.403 3.576 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000088520038 1037379981 /nfs/dbraw/zinc/37/99/81/1037379981.db2.gz XRIWQPQUGCTEEX-ZDUSSCGKSA-N 1 2 336.482 3.809 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000088520038 1037379986 /nfs/dbraw/zinc/37/99/86/1037379986.db2.gz XRIWQPQUGCTEEX-ZDUSSCGKSA-N 1 2 336.482 3.809 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000653680578 1037381209 /nfs/dbraw/zinc/38/12/09/1037381209.db2.gz GTFANSHZNUTLJK-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000653680578 1037381222 /nfs/dbraw/zinc/38/12/22/1037381222.db2.gz GTFANSHZNUTLJK-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000104791862 1037397523 /nfs/dbraw/zinc/39/75/23/1037397523.db2.gz ZYXARIAUTXOFHA-IBGZPJMESA-N 1 2 346.434 3.667 20 0 EHADLO CC(C)c1ccc(OC2CCN(C(=O)/C=C\c3[nH]cc[nH+]3)CC2)cc1 ZINC000493482516 1037403381 /nfs/dbraw/zinc/40/33/81/1037403381.db2.gz ALUPHQJZFQCUBS-FPLPWBNLSA-N 1 2 339.439 3.616 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1csc(-c2ccccc2F)n1 ZINC000462812651 1037415741 /nfs/dbraw/zinc/41/57/41/1037415741.db2.gz ODDYIUNWBSLCRA-LLVKDONJSA-N 1 2 335.448 3.515 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC=C(c2ccccc2)C1 ZINC000347370748 1037417316 /nfs/dbraw/zinc/41/73/16/1037417316.db2.gz JRUBDRQVFPDKCV-UHFFFAOYSA-N 1 2 343.430 3.861 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000376519828 1037419284 /nfs/dbraw/zinc/41/92/84/1037419284.db2.gz TTWKBDKLMMYHAB-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000376519828 1037419291 /nfs/dbraw/zinc/41/92/91/1037419291.db2.gz TTWKBDKLMMYHAB-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO OC1CCN(c2[nH+]cccc2NCc2ccc3c(c2)CCCC3)CC1 ZINC000491363951 1037422682 /nfs/dbraw/zinc/42/26/82/1037422682.db2.gz ZPVZAYIXGHCUEO-UHFFFAOYSA-N 1 2 337.467 3.534 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C1(C)C ZINC000462803760 1037423587 /nfs/dbraw/zinc/42/35/87/1037423587.db2.gz OSFDKLVBMJQXMZ-KZNAEPCWSA-N 1 2 345.462 3.830 20 0 EHADLO Cc1cc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)ccc1Cl ZINC000462816934 1037436548 /nfs/dbraw/zinc/43/65/48/1037436548.db2.gz GFLXSJFJEHJOMO-KRWDZBQOSA-N 1 2 326.831 3.688 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nonc2C)cc1Br ZINC000924583902 1037438492 /nfs/dbraw/zinc/43/84/92/1037438492.db2.gz AWZODDRJDXGFTR-RKDXNWHRSA-N 1 2 340.221 3.561 20 0 EHADLO FC1(F)CO[C@]2(CC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC001233415011 1037526067 /nfs/dbraw/zinc/52/60/67/1037526067.db2.gz ZGEWSIBNZHYDGX-LLVKDONJSA-N 1 2 338.217 3.511 20 0 EHADLO FC1(F)CO[C@]2(CC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC001233415011 1037526075 /nfs/dbraw/zinc/52/60/75/1037526075.db2.gz ZGEWSIBNZHYDGX-LLVKDONJSA-N 1 2 338.217 3.511 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000613544649 1037537592 /nfs/dbraw/zinc/53/75/92/1037537592.db2.gz HBOAWJORRFTOLK-HNNXBMFYSA-N 1 2 332.513 3.924 20 0 EHADLO c1ccc(O[C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000376543231 1037543011 /nfs/dbraw/zinc/54/30/11/1037543011.db2.gz WKCHPXONIXZJTQ-GOSISDBHSA-N 1 2 338.455 3.534 20 0 EHADLO c1ccc(O[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000376543231 1037543023 /nfs/dbraw/zinc/54/30/23/1037543023.db2.gz WKCHPXONIXZJTQ-GOSISDBHSA-N 1 2 338.455 3.534 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1Cl)C2 ZINC000532538218 1037566383 /nfs/dbraw/zinc/56/63/83/1037566383.db2.gz NECRXXSJKWMRQS-UHFFFAOYSA-N 1 2 344.842 3.736 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1Cl)C2 ZINC000532538218 1037566392 /nfs/dbraw/zinc/56/63/92/1037566392.db2.gz NECRXXSJKWMRQS-UHFFFAOYSA-N 1 2 344.842 3.736 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1nccn1Cc1ccccc1)C2 ZINC000532540589 1037573223 /nfs/dbraw/zinc/57/32/23/1037573223.db2.gz WDVBYNZNOURQDC-UHFFFAOYSA-N 1 2 347.462 3.888 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1nccn1Cc1ccccc1)C2 ZINC000532540589 1037573235 /nfs/dbraw/zinc/57/32/35/1037573235.db2.gz WDVBYNZNOURQDC-UHFFFAOYSA-N 1 2 347.462 3.888 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000573491840 1037584928 /nfs/dbraw/zinc/58/49/28/1037584928.db2.gz JVDHOAURHNKHAR-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO COc1c(O)cccc1C[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000493739724 1037589246 /nfs/dbraw/zinc/58/92/46/1037589246.db2.gz XYDYHVHWOBNJCV-GFCCVEGCSA-N 1 2 340.206 3.931 20 0 EHADLO O=C(CCc1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179406 1037622445 /nfs/dbraw/zinc/62/24/45/1037622445.db2.gz KQKDDOJMIWTDNQ-UHFFFAOYSA-N 1 2 337.467 3.711 20 0 EHADLO CC(C)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462992312 1037625043 /nfs/dbraw/zinc/62/50/43/1037625043.db2.gz LBKABTWMXKTKOD-GJZGRUSLSA-N 1 2 338.442 3.728 20 0 EHADLO CC(C)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462992312 1037625051 /nfs/dbraw/zinc/62/50/51/1037625051.db2.gz LBKABTWMXKTKOD-GJZGRUSLSA-N 1 2 338.442 3.728 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1C(F)F ZINC000493826770 1037637302 /nfs/dbraw/zinc/63/73/02/1037637302.db2.gz RNUNZGRAWVVRRW-YXMGTMDOSA-N 1 2 331.366 3.532 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)no2)cc1 ZINC000591834541 1037643956 /nfs/dbraw/zinc/64/39/56/1037643956.db2.gz NZGCGTPPOHOTQL-SFHVURJKSA-N 1 2 335.407 3.700 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)no2)cc1 ZINC000591834541 1037643962 /nfs/dbraw/zinc/64/39/62/1037643962.db2.gz NZGCGTPPOHOTQL-SFHVURJKSA-N 1 2 335.407 3.700 20 0 EHADLO CC(C)c1scnc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711543 1037653612 /nfs/dbraw/zinc/65/36/12/1037653612.db2.gz YBRCWRAZYFFDRU-UHFFFAOYSA-N 1 2 340.452 3.560 20 0 EHADLO CCS[C@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576219 1037682504 /nfs/dbraw/zinc/68/25/04/1037682504.db2.gz DVGGUOPLLTYVCL-BBRMVZONSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@H]1CCCC[N@H+]([C@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576219 1037682513 /nfs/dbraw/zinc/68/25/13/1037682513.db2.gz DVGGUOPLLTYVCL-BBRMVZONSA-N 1 2 325.449 3.647 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000463062386 1037714055 /nfs/dbraw/zinc/71/40/55/1037714055.db2.gz POGHNKYGBXFSDN-HNNXBMFYSA-N 1 2 346.544 3.658 20 0 EHADLO C[C@@H](CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1)Oc1cccc(F)c1 ZINC000463070654 1037735708 /nfs/dbraw/zinc/73/57/08/1037735708.db2.gz OUWABMNSPXLDQB-GJZGRUSLSA-N 1 2 344.434 3.731 20 0 EHADLO C[C@@H](CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1)Oc1cccc(F)c1 ZINC000463070654 1037735733 /nfs/dbraw/zinc/73/57/33/1037735733.db2.gz OUWABMNSPXLDQB-GJZGRUSLSA-N 1 2 344.434 3.731 20 0 EHADLO C[C@H](CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)Oc1cccc(F)c1 ZINC000463070656 1037736109 /nfs/dbraw/zinc/73/61/09/1037736109.db2.gz OUWABMNSPXLDQB-HUUCEWRRSA-N 1 2 344.434 3.731 20 0 EHADLO C[C@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)Oc1cccc(F)c1 ZINC000463070656 1037736121 /nfs/dbraw/zinc/73/61/21/1037736121.db2.gz OUWABMNSPXLDQB-HUUCEWRRSA-N 1 2 344.434 3.731 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000493984315 1037769083 /nfs/dbraw/zinc/76/90/83/1037769083.db2.gz HQFGOSSZFYOMJY-FQEVSTJZSA-N 1 2 349.434 3.552 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000506278258 1037813957 /nfs/dbraw/zinc/81/39/57/1037813957.db2.gz BVYWHMNQTRPWDJ-KRWDZBQOSA-N 1 2 341.451 3.885 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000506278258 1037813979 /nfs/dbraw/zinc/81/39/79/1037813979.db2.gz BVYWHMNQTRPWDJ-KRWDZBQOSA-N 1 2 341.451 3.885 20 0 EHADLO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001168232576 1037835590 /nfs/dbraw/zinc/83/55/90/1037835590.db2.gz CEUPLLDHBYFDDZ-UKRRQHHQSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC001168232576 1037835618 /nfs/dbraw/zinc/83/56/18/1037835618.db2.gz CEUPLLDHBYFDDZ-UKRRQHHQSA-N 1 2 327.346 3.651 20 0 EHADLO OC[C@H]1C[C@@H](Nc2cc(-c3ccc(OC(F)(F)F)cc3)cc[nH+]2)C1 ZINC001168239338 1037849704 /nfs/dbraw/zinc/84/97/04/1037849704.db2.gz HVSYADZBZCUSSE-VDISTLRHSA-N 1 2 338.329 3.830 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942738 1037850832 /nfs/dbraw/zinc/85/08/32/1037850832.db2.gz OYMGXPOQPHFESY-LAUBAEHRSA-N 1 2 340.442 3.777 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942738 1037850851 /nfs/dbraw/zinc/85/08/51/1037850851.db2.gz OYMGXPOQPHFESY-LAUBAEHRSA-N 1 2 340.442 3.777 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000378084299 1037867505 /nfs/dbraw/zinc/86/75/05/1037867505.db2.gz LYIIZVBKODUEHQ-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000378084299 1037867514 /nfs/dbraw/zinc/86/75/14/1037867514.db2.gz LYIIZVBKODUEHQ-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO O=C(c1cc(Cl)cc2cccnc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378095686 1037897414 /nfs/dbraw/zinc/89/74/14/1037897414.db2.gz ZPKWJWSYYAPDMV-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1cc(Cl)cc2cccnc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378095686 1037897432 /nfs/dbraw/zinc/89/74/32/1037897432.db2.gz ZPKWJWSYYAPDMV-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378095641 1037898624 /nfs/dbraw/zinc/89/86/24/1037898624.db2.gz ZFSQWTWUQMWCAR-UHFFFAOYSA-N 1 2 325.456 3.701 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378095641 1037898643 /nfs/dbraw/zinc/89/86/43/1037898643.db2.gz ZFSQWTWUQMWCAR-UHFFFAOYSA-N 1 2 325.456 3.701 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000913821213 1037965636 /nfs/dbraw/zinc/96/56/36/1037965636.db2.gz VHNUYZGXTNAOEB-INIZCTEOSA-N 1 2 338.455 3.737 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cs1 ZINC000336869950 1038025970 /nfs/dbraw/zinc/02/59/70/1038025970.db2.gz GICMPWGPKJHNME-OGHNNQOOSA-N 1 2 332.469 3.675 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cs1 ZINC000336869950 1038025995 /nfs/dbraw/zinc/02/59/95/1038025995.db2.gz GICMPWGPKJHNME-OGHNNQOOSA-N 1 2 332.469 3.675 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000248964241 1038071359 /nfs/dbraw/zinc/07/13/59/1038071359.db2.gz CHYDQBMWODQRQR-XPKDYRNWSA-N 1 2 333.457 3.504 20 0 EHADLO Cc1ccc(CSCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124388195 1038178245 /nfs/dbraw/zinc/17/82/45/1038178245.db2.gz YLKIQLUMOMUOMS-AEFFLSMTSA-N 1 2 343.496 3.534 20 0 EHADLO COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000106761080 1038191455 /nfs/dbraw/zinc/19/14/55/1038191455.db2.gz FEPXWGYKYZOYSK-MSOLQXFVSA-N 1 2 333.391 3.828 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1CC ZINC000180615301 1038224661 /nfs/dbraw/zinc/22/46/61/1038224661.db2.gz CSDFVBNVGPPJEU-GOSISDBHSA-N 1 2 326.444 3.704 20 0 EHADLO COc1cccc(C(F)F)c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000893177847 1038253396 /nfs/dbraw/zinc/25/33/96/1038253396.db2.gz ZROIFSPSKOSZTR-HNNXBMFYSA-N 1 2 346.377 3.549 20 0 EHADLO COc1cccc(C(F)F)c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000893177847 1038253403 /nfs/dbraw/zinc/25/34/03/1038253403.db2.gz ZROIFSPSKOSZTR-HNNXBMFYSA-N 1 2 346.377 3.549 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125353929 1038316132 /nfs/dbraw/zinc/31/61/32/1038316132.db2.gz ZPLXBLPLDGIBLL-CQSZACIVSA-N 1 2 331.847 3.579 20 0 EHADLO CC(=O)CCc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181030257 1038319521 /nfs/dbraw/zinc/31/95/21/1038319521.db2.gz FCCHEQBZUKKDIL-UHFFFAOYSA-N 1 2 334.375 3.613 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc4ccsc43)n2)C1 ZINC000274361575 1038374551 /nfs/dbraw/zinc/37/45/51/1038374551.db2.gz WJOCQECAPXKCKI-AWEZNQCLSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc4ccsc43)n2)C1 ZINC000274361575 1038374563 /nfs/dbraw/zinc/37/45/63/1038374563.db2.gz WJOCQECAPXKCKI-AWEZNQCLSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000461379557 1038374762 /nfs/dbraw/zinc/37/47/62/1038374762.db2.gz PSYOTZQBQDBVNU-LJQANCHMSA-N 1 2 339.483 3.563 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000461379557 1038374778 /nfs/dbraw/zinc/37/47/78/1038374778.db2.gz PSYOTZQBQDBVNU-LJQANCHMSA-N 1 2 339.483 3.563 20 0 EHADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)COc1ccc(Cl)cc1Cl ZINC000398084326 1038416398 /nfs/dbraw/zinc/41/63/98/1038416398.db2.gz SVUXYLNHFKVNIW-ZWNOBZJWSA-N 1 2 340.197 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(C)[nH+]1 ZINC000667118390 1038440772 /nfs/dbraw/zinc/44/07/72/1038440772.db2.gz PSXSGUAHCBRPLN-DGCLKSJQSA-N 1 2 345.365 3.580 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1Cl ZINC000010141514 1038463221 /nfs/dbraw/zinc/46/32/21/1038463221.db2.gz CRKLKEOSDLUJMG-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1Cl ZINC000010141514 1038463224 /nfs/dbraw/zinc/46/32/24/1038463224.db2.gz CRKLKEOSDLUJMG-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000648377515 1038479880 /nfs/dbraw/zinc/47/98/80/1038479880.db2.gz FEXPUNPNURIQLM-HXUWFJFHSA-N 1 2 343.492 3.846 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000648377515 1038479887 /nfs/dbraw/zinc/47/98/87/1038479887.db2.gz FEXPUNPNURIQLM-HXUWFJFHSA-N 1 2 343.492 3.846 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3c(Cl)oc4ccccc43)n2)C1 ZINC000351414937 1038518231 /nfs/dbraw/zinc/51/82/31/1038518231.db2.gz YNGGGOJUHKORME-ZDUSSCGKSA-N 1 2 347.802 3.918 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3c(Cl)oc4ccccc43)n2)C1 ZINC000351414937 1038518235 /nfs/dbraw/zinc/51/82/35/1038518235.db2.gz YNGGGOJUHKORME-ZDUSSCGKSA-N 1 2 347.802 3.918 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000538787590 1038540418 /nfs/dbraw/zinc/54/04/18/1038540418.db2.gz GORCJVDOZJVHMW-MRXNPFEDSA-N 1 2 342.830 3.967 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000538787590 1038540424 /nfs/dbraw/zinc/54/04/24/1038540424.db2.gz GORCJVDOZJVHMW-MRXNPFEDSA-N 1 2 342.830 3.967 20 0 EHADLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000027544965 1038572371 /nfs/dbraw/zinc/57/23/71/1038572371.db2.gz IHPQCFQOPLWVEX-UHFFFAOYSA-N 1 2 333.435 3.525 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000116532325 1038669013 /nfs/dbraw/zinc/66/90/13/1038669013.db2.gz QYGZXUDQJGYTDR-INIZCTEOSA-N 1 2 346.519 3.620 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462003653 1038713043 /nfs/dbraw/zinc/71/30/43/1038713043.db2.gz DBBHOCRFCCCRRP-UHFFFAOYSA-N 1 2 342.487 3.945 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000582051676 1038740674 /nfs/dbraw/zinc/74/06/74/1038740674.db2.gz SNAIUJJNUROQBW-HZPDHXFCSA-N 1 2 341.459 3.663 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000378599137 1038756282 /nfs/dbraw/zinc/75/62/82/1038756282.db2.gz UMBGAGIUUJBTQN-INIZCTEOSA-N 1 2 347.894 3.861 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)no1 ZINC000539285647 1038760161 /nfs/dbraw/zinc/76/01/61/1038760161.db2.gz ADIILOBJKXXPFX-XLIONFOSSA-N 1 2 349.434 3.912 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C1CCCC1 ZINC000462186412 1038823290 /nfs/dbraw/zinc/82/32/90/1038823290.db2.gz FYMABJZMFCBINT-HUUCEWRRSA-N 1 2 335.517 3.715 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CCCC1 ZINC000462186411 1038823893 /nfs/dbraw/zinc/82/38/93/1038823893.db2.gz FYMABJZMFCBINT-GJZGRUSLSA-N 1 2 335.517 3.715 20 0 EHADLO CCC1(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCC1 ZINC000462209514 1038844284 /nfs/dbraw/zinc/84/42/84/1038844284.db2.gz JCDAJKAQFOKCOA-OAHLLOKOSA-N 1 2 335.517 3.717 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000488074516 1038848704 /nfs/dbraw/zinc/84/87/04/1038848704.db2.gz NKMNRUGTTLDXOT-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000488074516 1038848718 /nfs/dbraw/zinc/84/87/18/1038848718.db2.gz NKMNRUGTTLDXOT-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)n1cc[nH+]c1 ZINC000582065705 1038854017 /nfs/dbraw/zinc/85/40/17/1038854017.db2.gz BJKMMISLXDISFA-UNEWFSDZSA-N 1 2 331.847 3.940 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cccc(C(N)=O)c3)[nH+]c2)c1 ZINC001203143764 1038938968 /nfs/dbraw/zinc/93/89/68/1038938968.db2.gz DOYWLDGCQAYVIS-UHFFFAOYSA-N 1 2 348.406 3.545 20 0 EHADLO Cc1csc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC000477844271 1038951266 /nfs/dbraw/zinc/95/12/66/1038951266.db2.gz UMHBKQWVPSWJKB-AWEZNQCLSA-N 1 2 334.872 3.839 20 0 EHADLO Cc1csc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC000477844271 1038951275 /nfs/dbraw/zinc/95/12/75/1038951275.db2.gz UMHBKQWVPSWJKB-AWEZNQCLSA-N 1 2 334.872 3.839 20 0 EHADLO C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccnc1 ZINC000905553296 1038961905 /nfs/dbraw/zinc/96/19/05/1038961905.db2.gz VDFVQSOHLUSIRR-VXKWHMMOSA-N 1 2 349.478 3.551 20 0 EHADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000477859156 1038967061 /nfs/dbraw/zinc/96/70/61/1038967061.db2.gz LPCBJSRWUZZPHN-HZPDHXFCSA-N 1 2 344.503 3.696 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccccc1Cl ZINC000485375354 1038982857 /nfs/dbraw/zinc/98/28/57/1038982857.db2.gz HJXOBLGSPXJBBO-XJKSGUPXSA-N 1 2 340.920 3.591 20 0 EHADLO CC[C@@H](c1nnc(SCc2cc[nH+]c(N)c2)o1)c1ccccc1 ZINC000195501064 1038997121 /nfs/dbraw/zinc/99/71/21/1038997121.db2.gz OXFXNQIRCCRJKH-CQSZACIVSA-N 1 2 326.425 3.881 20 0 EHADLO CC(C)c1cccc(NC(=S)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000905619363 1039007628 /nfs/dbraw/zinc/00/76/28/1039007628.db2.gz MPJDNVMHNPIWAI-UHFFFAOYSA-N 1 2 348.541 3.815 20 0 EHADLO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1cocn1 ZINC000432746673 1039010426 /nfs/dbraw/zinc/01/04/26/1039010426.db2.gz JOKHIRCGKWYVQE-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1cocn1 ZINC000432746673 1039010442 /nfs/dbraw/zinc/01/04/42/1039010442.db2.gz JOKHIRCGKWYVQE-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO C[N@H+](Cc1ccccc1)Cc1cc2c(cc1Br)OCO2 ZINC000216424274 1039048837 /nfs/dbraw/zinc/04/88/37/1039048837.db2.gz XBNMRCVJUOKWJW-UHFFFAOYSA-N 1 2 334.213 3.810 20 0 EHADLO C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1Br)OCO2 ZINC000216424274 1039048857 /nfs/dbraw/zinc/04/88/57/1039048857.db2.gz XBNMRCVJUOKWJW-UHFFFAOYSA-N 1 2 334.213 3.810 20 0 EHADLO O=C1CCCN1CCC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000552203154 1039057730 /nfs/dbraw/zinc/05/77/30/1039057730.db2.gz LYAGGJHPDYOCNJ-UHFFFAOYSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCN1CCC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000552203154 1039057744 /nfs/dbraw/zinc/05/77/44/1039057744.db2.gz LYAGGJHPDYOCNJ-UHFFFAOYSA-N 1 2 341.282 3.970 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccn1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000905745461 1039080038 /nfs/dbraw/zinc/08/00/38/1039080038.db2.gz OUQNRZPNEXZICJ-HNNXBMFYSA-N 1 2 345.512 3.545 20 0 EHADLO CC(C)C[N@H+](Cc1ccccn1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000905745461 1039080056 /nfs/dbraw/zinc/08/00/56/1039080056.db2.gz OUQNRZPNEXZICJ-HNNXBMFYSA-N 1 2 345.512 3.545 20 0 EHADLO CC(C)c1cc(N[C@H]2CCc3cnn(C(C)C)c3C2)nc(C(C)C)[nH+]1 ZINC000478000536 1039091651 /nfs/dbraw/zinc/09/16/51/1039091651.db2.gz UJGIWCJGQPIUPE-INIZCTEOSA-N 1 2 341.503 3.892 20 0 EHADLO CCN1CC[C@H]1C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000905803031 1039109971 /nfs/dbraw/zinc/10/99/71/1039109971.db2.gz CEVRVEHKLYJUHW-OALUTQOASA-N 1 2 348.450 3.510 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000108638542 1039120529 /nfs/dbraw/zinc/12/05/29/1039120529.db2.gz CRPQANGJPJWYQS-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)O[C@@H](C)C2 ZINC000552282600 1039134351 /nfs/dbraw/zinc/13/43/51/1039134351.db2.gz GRNIBIWBEOXZEI-XOBRGWDASA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)O[C@@H](C)C2 ZINC000552282600 1039134355 /nfs/dbraw/zinc/13/43/55/1039134355.db2.gz GRNIBIWBEOXZEI-XOBRGWDASA-N 1 2 338.451 3.997 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2[nH+]1 ZINC000010896332 1039136192 /nfs/dbraw/zinc/13/61/92/1039136192.db2.gz KPZCSNCUVSBTQB-UHFFFAOYSA-N 1 2 333.750 3.681 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCc3cccc(F)c3C2)c(O)c(=O)c1 ZINC000663832348 1039151431 /nfs/dbraw/zinc/15/14/31/1039151431.db2.gz XWWAEQVFFBNCHV-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCc3cccc(F)c3C2)c(O)c(=O)c1 ZINC000663832348 1039151446 /nfs/dbraw/zinc/15/14/46/1039151446.db2.gz XWWAEQVFFBNCHV-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC(C)C ZINC000432782092 1039160759 /nfs/dbraw/zinc/16/07/59/1039160759.db2.gz RLFKCUYHYNQNGN-CYBMUJFWSA-N 1 2 346.475 3.749 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000366288804 1039209586 /nfs/dbraw/zinc/20/95/86/1039209586.db2.gz SBVPRISYYIVRIR-IBGZPJMESA-N 1 2 346.434 3.589 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488553381 1039265872 /nfs/dbraw/zinc/26/58/72/1039265872.db2.gz DSPJXPYLHURERY-FQEVSTJZSA-N 1 2 339.483 3.529 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488553381 1039265892 /nfs/dbraw/zinc/26/58/92/1039265892.db2.gz DSPJXPYLHURERY-FQEVSTJZSA-N 1 2 339.483 3.529 20 0 EHADLO O=C(c1ccc(C2CCCC2)cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488580800 1039283416 /nfs/dbraw/zinc/28/34/16/1039283416.db2.gz SFJJJXVXYNTSPD-FQEVSTJZSA-N 1 2 335.451 3.526 20 0 EHADLO c1ccc2c(c1)CC[C@@]21C[N@H+](Cc2nsc3ccccc23)CCO1 ZINC000660126550 1039283718 /nfs/dbraw/zinc/28/37/18/1039283718.db2.gz XGRDDKHSXCCJDT-HXUWFJFHSA-N 1 2 336.460 3.970 20 0 EHADLO c1ccc2c(c1)CC[C@@]21C[N@@H+](Cc2nsc3ccccc23)CCO1 ZINC000660126550 1039283726 /nfs/dbraw/zinc/28/37/26/1039283726.db2.gz XGRDDKHSXCCJDT-HXUWFJFHSA-N 1 2 336.460 3.970 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000488587573 1039288716 /nfs/dbraw/zinc/28/87/16/1039288716.db2.gz PUVRFLHHCWEYDT-UHFFFAOYSA-N 1 2 346.858 3.982 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000488587573 1039288723 /nfs/dbraw/zinc/28/87/23/1039288723.db2.gz PUVRFLHHCWEYDT-UHFFFAOYSA-N 1 2 346.858 3.982 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000509752523 1039300188 /nfs/dbraw/zinc/30/01/88/1039300188.db2.gz SWZNECBSFXZUFC-SJLPKXTDSA-N 1 2 340.471 3.886 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(Oc2ccccc2)ccn1 ZINC000339207874 1039307765 /nfs/dbraw/zinc/30/77/65/1039307765.db2.gz JJPUKPRDBVEJIT-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000554407904 1039313141 /nfs/dbraw/zinc/31/31/41/1039313141.db2.gz AXHCGPJGPXXGLJ-IBGZPJMESA-N 1 2 347.462 3.764 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000584588374 1039328516 /nfs/dbraw/zinc/32/85/16/1039328516.db2.gz DUXYFWAEYHWXBH-WCQYABFASA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000584588374 1039328532 /nfs/dbraw/zinc/32/85/32/1039328532.db2.gz DUXYFWAEYHWXBH-WCQYABFASA-N 1 2 345.270 3.820 20 0 EHADLO O=C(CCc1ccccc1Br)Nc1ccn2cc[nH+]c2c1 ZINC000552508342 1039345386 /nfs/dbraw/zinc/34/53/86/1039345386.db2.gz AXZCWUJKTWPGNX-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO CCOC1(C)CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000428718193 1039347141 /nfs/dbraw/zinc/34/71/41/1039347141.db2.gz DVSQICGSCRYRGT-LBPRGKRZSA-N 1 2 349.500 3.966 20 0 EHADLO Cn1ccc([C@H]([NH2+]Cc2ccc3ncccc3c2)c2ccc(F)cc2)n1 ZINC000552604532 1039393143 /nfs/dbraw/zinc/39/31/43/1039393143.db2.gz LYWZUUSXVKISBD-OAQYLSRUSA-N 1 2 346.409 3.987 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246764577 1039400195 /nfs/dbraw/zinc/40/01/95/1039400195.db2.gz AUCHVXIFCAZURL-GVDBMIGSSA-N 1 2 347.503 3.709 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000432820867 1039411508 /nfs/dbraw/zinc/41/15/08/1039411508.db2.gz UJHSEGYNXJCHER-MRXNPFEDSA-N 1 2 327.476 3.505 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000432820867 1039411522 /nfs/dbraw/zinc/41/15/22/1039411522.db2.gz UJHSEGYNXJCHER-MRXNPFEDSA-N 1 2 327.476 3.505 20 0 EHADLO c1cc(-c2ccccc2)oc1C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000485705911 1039432269 /nfs/dbraw/zinc/43/22/69/1039432269.db2.gz RAMUKRDMEZZWFD-IBGZPJMESA-N 1 2 327.424 3.574 20 0 EHADLO c1cc(-c2ccccc2)oc1C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000485705911 1039432285 /nfs/dbraw/zinc/43/22/85/1039432285.db2.gz RAMUKRDMEZZWFD-IBGZPJMESA-N 1 2 327.424 3.574 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000668881298 1039437288 /nfs/dbraw/zinc/43/72/88/1039437288.db2.gz ANGXYMGZQURONA-GUDVDZBRSA-N 1 2 337.467 3.976 20 0 EHADLO C/C=C(/C=C/c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)CC ZINC000480333533 1039437476 /nfs/dbraw/zinc/43/74/76/1039437476.db2.gz WREIURZGSRELHK-OHULPMOGSA-N 1 2 339.439 3.938 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2F)nn1 ZINC000906291638 1039454053 /nfs/dbraw/zinc/45/40/53/1039454053.db2.gz XQCXLPPSCFWJGD-AWEZNQCLSA-N 1 2 340.402 3.574 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720673 1039461290 /nfs/dbraw/zinc/46/12/90/1039461290.db2.gz JPKPHNHNZWNTSE-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720673 1039461298 /nfs/dbraw/zinc/46/12/98/1039461298.db2.gz JPKPHNHNZWNTSE-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543748 1039463894 /nfs/dbraw/zinc/46/38/94/1039463894.db2.gz CLIHMQOUQOPUNY-ZBFHGGJFSA-N 1 2 341.459 3.663 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485724305 1039467106 /nfs/dbraw/zinc/46/71/06/1039467106.db2.gz RCCZQAGQLYLYCU-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485724305 1039467112 /nfs/dbraw/zinc/46/71/12/1039467112.db2.gz RCCZQAGQLYLYCU-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO O=C(c1cnccc1Oc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000554566406 1039488949 /nfs/dbraw/zinc/48/89/49/1039488949.db2.gz SECSIDQJDGDCQZ-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C(C)=O)c(C)c2)n1 ZINC000906375843 1039498697 /nfs/dbraw/zinc/49/86/97/1039498697.db2.gz QIYBHGZOOFITMA-UHFFFAOYSA-N 1 2 345.468 3.748 20 0 EHADLO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000488960684 1039504838 /nfs/dbraw/zinc/50/48/38/1039504838.db2.gz LYAOGQZYUXTMBK-SFHVURJKSA-N 1 2 335.407 3.977 20 0 EHADLO CC(C)(C)CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000512492735 1039509906 /nfs/dbraw/zinc/50/99/06/1039509906.db2.gz XBZXEPUZYXDZBV-UHFFFAOYSA-N 1 2 337.533 3.792 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC000660166404 1039512125 /nfs/dbraw/zinc/51/21/25/1039512125.db2.gz SIPQAOLMYSMGDK-CQSZACIVSA-N 1 2 326.444 3.616 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC000660166404 1039512140 /nfs/dbraw/zinc/51/21/40/1039512140.db2.gz SIPQAOLMYSMGDK-CQSZACIVSA-N 1 2 326.444 3.616 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000500826504 1039540904 /nfs/dbraw/zinc/54/09/04/1039540904.db2.gz IXTZSMOLYWDYKZ-YVWKXTFCSA-N 1 2 341.426 3.754 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000419187682 1039573251 /nfs/dbraw/zinc/57/32/51/1039573251.db2.gz JKPVZEJIVPHHHT-WMZOPIPTSA-N 1 2 341.476 3.558 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000419187680 1039574116 /nfs/dbraw/zinc/57/41/16/1039574116.db2.gz JKPVZEJIVPHHHT-FUHWJXTLSA-N 1 2 341.476 3.558 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccsc2)O1 ZINC000667680631 1039598458 /nfs/dbraw/zinc/59/84/58/1039598458.db2.gz MJVAKHFRDCNJGN-SCLBCKFNSA-N 1 2 331.485 3.711 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccsc2)O1 ZINC000667680631 1039598469 /nfs/dbraw/zinc/59/84/69/1039598469.db2.gz MJVAKHFRDCNJGN-SCLBCKFNSA-N 1 2 331.485 3.711 20 0 EHADLO Cc1sc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nc1C(C)C ZINC000667369310 1039599404 /nfs/dbraw/zinc/59/94/04/1039599404.db2.gz QTEMFRWNDVTPOG-UHFFFAOYSA-N 1 2 333.461 3.710 20 0 EHADLO Cc1sc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nc1C(C)C ZINC000667369310 1039599417 /nfs/dbraw/zinc/59/94/17/1039599417.db2.gz QTEMFRWNDVTPOG-UHFFFAOYSA-N 1 2 333.461 3.710 20 0 EHADLO CCC(CC)n1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000345078781 1039627759 /nfs/dbraw/zinc/62/77/59/1039627759.db2.gz RXPTYZYPHBTLPT-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@H](c4[nH]cc[nH+]4)C1)(C3)C2 ZINC000906538577 1039635910 /nfs/dbraw/zinc/63/59/10/1039635910.db2.gz ARYJIUIIMHKODT-TZIABDEJSA-N 1 2 327.472 3.722 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000554743105 1039660646 /nfs/dbraw/zinc/66/06/46/1039660646.db2.gz XMAWBHXQYFUFIL-CQSZACIVSA-N 1 2 343.414 3.840 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000554743105 1039660651 /nfs/dbraw/zinc/66/06/51/1039660651.db2.gz XMAWBHXQYFUFIL-CQSZACIVSA-N 1 2 343.414 3.840 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCSC[C@@H]1c1ccccc1 ZINC000893743302 1039671238 /nfs/dbraw/zinc/67/12/38/1039671238.db2.gz WJWFWOPECZWUNM-QGZVFWFLSA-N 1 2 337.448 3.655 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCCOc2cccc(C(C)(C)C)c2)no1 ZINC000511617955 1039679539 /nfs/dbraw/zinc/67/95/39/1039679539.db2.gz VVCCZJUSCCKQHR-UHFFFAOYSA-N 1 2 331.460 3.969 20 0 EHADLO CC(C)(CNC(=O)C1(c2cccc(Cl)c2)CCC1)n1cc[nH+]c1 ZINC000898903890 1039691153 /nfs/dbraw/zinc/69/11/53/1039691153.db2.gz MYWDYBBGVKGTDZ-UHFFFAOYSA-N 1 2 331.847 3.510 20 0 EHADLO COc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)c(Cl)c(OC)c1 ZINC000417334133 1039692442 /nfs/dbraw/zinc/69/24/42/1039692442.db2.gz TWCGBSAJHIRGJZ-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO CC(C)(CNC(=O)c1ccc(CCC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000898905351 1039692826 /nfs/dbraw/zinc/69/28/26/1039692826.db2.gz YIXPYKNLMNSBRE-UHFFFAOYSA-N 1 2 339.361 3.543 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898906960 1039694594 /nfs/dbraw/zinc/69/45/94/1039694594.db2.gz LZNMOXQVOVLILY-INIZCTEOSA-N 1 2 343.471 3.717 20 0 EHADLO CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1Cl)n1cc[nH+]c1 ZINC000898907174 1039695180 /nfs/dbraw/zinc/69/51/80/1039695180.db2.gz UWCNFKIWPDSAOL-UHFFFAOYSA-N 1 2 345.752 3.720 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C ZINC000553095494 1039769458 /nfs/dbraw/zinc/76/94/58/1039769458.db2.gz ZDXGRAXPIKYZNA-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO FC(F)COCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554862207 1039879625 /nfs/dbraw/zinc/87/96/25/1039879625.db2.gz ANHSGMTUNUGVKQ-AWEZNQCLSA-N 1 2 341.295 3.858 20 0 EHADLO FC(F)COCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554862207 1039879604 /nfs/dbraw/zinc/87/96/04/1039879604.db2.gz ANHSGMTUNUGVKQ-AWEZNQCLSA-N 1 2 341.295 3.858 20 0 EHADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889640 1039887072 /nfs/dbraw/zinc/88/70/72/1039887072.db2.gz YCCUDOTVOYSEBQ-HIFRSBDPSA-N 1 2 335.444 3.526 20 0 EHADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889640 1039887093 /nfs/dbraw/zinc/88/70/93/1039887093.db2.gz YCCUDOTVOYSEBQ-HIFRSBDPSA-N 1 2 335.444 3.526 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)n2)cc1 ZINC000553226772 1039894555 /nfs/dbraw/zinc/89/45/55/1039894555.db2.gz BIMITFVKWWSIHH-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnc(F)cc3C)n2)cc1 ZINC000893977307 1039916508 /nfs/dbraw/zinc/91/65/08/1039916508.db2.gz WYGGPPKPAHYWLQ-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553294316 1039940945 /nfs/dbraw/zinc/94/09/45/1039940945.db2.gz KOBQLQVRMJWPPZ-INIZCTEOSA-N 1 2 326.444 3.871 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479092013 1039944456 /nfs/dbraw/zinc/94/44/56/1039944456.db2.gz CSPJVWMJQVEUES-GDBMZVCRSA-N 1 2 328.843 3.984 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479092013 1039944471 /nfs/dbraw/zinc/94/44/71/1039944471.db2.gz CSPJVWMJQVEUES-GDBMZVCRSA-N 1 2 328.843 3.984 20 0 EHADLO CN(C)C(=O)[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000419210519 1039962051 /nfs/dbraw/zinc/96/20/51/1039962051.db2.gz VGDCGOATSOEPAX-IBGZPJMESA-N 1 2 326.415 3.622 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479101381 1039970222 /nfs/dbraw/zinc/97/02/22/1039970222.db2.gz GYLPRYGJYMURGA-INIZCTEOSA-N 1 2 344.842 3.604 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479101381 1039970236 /nfs/dbraw/zinc/97/02/36/1039970236.db2.gz GYLPRYGJYMURGA-INIZCTEOSA-N 1 2 344.842 3.604 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1ccc(F)nc1 ZINC000188560159 1040001695 /nfs/dbraw/zinc/00/16/95/1040001695.db2.gz VTFKZBZPZPBLAK-UHFFFAOYSA-N 1 2 349.207 3.965 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccc(Cl)cc3)s2)nn1 ZINC000668605386 1040067274 /nfs/dbraw/zinc/06/72/74/1040067274.db2.gz MQINBBYRAMGDLC-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccc(Cl)cc3)s2)nn1 ZINC000668605386 1040067289 /nfs/dbraw/zinc/06/72/89/1040067289.db2.gz MQINBBYRAMGDLC-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)O1 ZINC000480888565 1040119762 /nfs/dbraw/zinc/11/97/62/1040119762.db2.gz IEDDCAXNFUGXDR-CYBMUJFWSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)O1 ZINC000480888565 1040119769 /nfs/dbraw/zinc/11/97/69/1040119769.db2.gz IEDDCAXNFUGXDR-CYBMUJFWSA-N 1 2 342.252 3.904 20 0 EHADLO CC(C)(c1ccc(NC(=O)CNc2cccc[nH+]2)cc1)C(F)(F)F ZINC000907741593 1040141089 /nfs/dbraw/zinc/14/10/89/1040141089.db2.gz GLEDXEMGYBLJNN-UHFFFAOYSA-N 1 2 337.345 3.972 20 0 EHADLO C[C@](O)(C1CC[NH+](Cc2ccsc2Cl)CC1)C(F)(F)F ZINC000584874228 1040177991 /nfs/dbraw/zinc/17/79/91/1040177991.db2.gz NPSIMPSHRJNMPT-LBPRGKRZSA-N 1 2 327.799 3.927 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814180 1040180959 /nfs/dbraw/zinc/18/09/59/1040180959.db2.gz FAZKNKWVVWLSNJ-CQSZACIVSA-N 1 2 340.471 3.635 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814180 1040180966 /nfs/dbraw/zinc/18/09/66/1040180966.db2.gz FAZKNKWVVWLSNJ-CQSZACIVSA-N 1 2 340.471 3.635 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC12CCC2 ZINC000907813852 1040182443 /nfs/dbraw/zinc/18/24/43/1040182443.db2.gz AQFURSTYCZFXIV-LSDHHAIUSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC12CCC2 ZINC000907813852 1040182445 /nfs/dbraw/zinc/18/24/45/1040182445.db2.gz AQFURSTYCZFXIV-LSDHHAIUSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000907816529 1040184775 /nfs/dbraw/zinc/18/47/75/1040184775.db2.gz UQFCQGVFKJGIMG-QBPKDAKJSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000907816529 1040184788 /nfs/dbraw/zinc/18/47/88/1040184788.db2.gz UQFCQGVFKJGIMG-QBPKDAKJSA-N 1 2 341.499 3.867 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000907816289 1040185238 /nfs/dbraw/zinc/18/52/38/1040185238.db2.gz RYBOCZKFRCIXNK-OAHLLOKOSA-N 1 2 341.455 3.575 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000907816289 1040185246 /nfs/dbraw/zinc/18/52/46/1040185246.db2.gz RYBOCZKFRCIXNK-OAHLLOKOSA-N 1 2 341.455 3.575 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000907816303 1040185767 /nfs/dbraw/zinc/18/57/67/1040185767.db2.gz SCKFSCGBHPOQRE-XJKSGUPXSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000907816303 1040185776 /nfs/dbraw/zinc/18/57/76/1040185776.db2.gz SCKFSCGBHPOQRE-XJKSGUPXSA-N 1 2 329.488 3.867 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000479388419 1040192873 /nfs/dbraw/zinc/19/28/73/1040192873.db2.gz WLFLNKLFHNILKF-UXEPBGEESA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000479388419 1040192884 /nfs/dbraw/zinc/19/28/84/1040192884.db2.gz WLFLNKLFHNILKF-UXEPBGEESA-N 1 2 326.843 3.777 20 0 EHADLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2[nH+]ccc3c(N)cccc32)C1 ZINC000663873142 1040242476 /nfs/dbraw/zinc/24/24/76/1040242476.db2.gz WMMRKZAYMHXIFO-JXIYXGQPSA-N 1 2 325.456 3.583 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2cc(CO)on2)ccc1OCC(C)C ZINC000924815769 1040254494 /nfs/dbraw/zinc/25/44/94/1040254494.db2.gz RFZFOLKOZTVGGP-UONOGXRCSA-N 1 2 348.443 3.622 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000667493508 1040272348 /nfs/dbraw/zinc/27/23/48/1040272348.db2.gz USQMVSNDIBVEAF-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000667493508 1040272361 /nfs/dbraw/zinc/27/23/61/1040272361.db2.gz USQMVSNDIBVEAF-AWEZNQCLSA-N 1 2 327.325 3.915 20 0 EHADLO Cc1ccc(-c2ccc(C)c(NC(=O)NCCCn3cc[nH+]c3)c2)o1 ZINC000432987748 1040375811 /nfs/dbraw/zinc/37/58/11/1040375811.db2.gz ZRXUZLIZIMTGGS-UHFFFAOYSA-N 1 2 338.411 3.972 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000063705645 1040394557 /nfs/dbraw/zinc/39/45/57/1040394557.db2.gz MLUFOSOHKMPWCD-UHFFFAOYSA-N 1 2 343.858 3.775 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000669041767 1040418080 /nfs/dbraw/zinc/41/80/80/1040418080.db2.gz PBKBUXSVFVNPPP-CRAIPNDOSA-N 1 2 341.455 3.745 20 0 EHADLO CC(=O)CC[NH+]1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000912889605 1040426274 /nfs/dbraw/zinc/42/62/74/1040426274.db2.gz IAMMDKBRTIHNJD-UHFFFAOYSA-N 1 2 346.471 3.651 20 0 EHADLO CC(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000912889605 1040426280 /nfs/dbraw/zinc/42/62/80/1040426280.db2.gz IAMMDKBRTIHNJD-UHFFFAOYSA-N 1 2 346.471 3.651 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339831911 1040433477 /nfs/dbraw/zinc/43/34/77/1040433477.db2.gz QGOGVIQVAQRFEQ-AWEZNQCLSA-N 1 2 340.389 3.536 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339831911 1040433486 /nfs/dbraw/zinc/43/34/86/1040433486.db2.gz QGOGVIQVAQRFEQ-AWEZNQCLSA-N 1 2 340.389 3.536 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264894 1040443548 /nfs/dbraw/zinc/44/35/48/1040443548.db2.gz VNPBVKZWDXWCBE-JKSUJKDBSA-N 1 2 339.430 3.588 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264894 1040443557 /nfs/dbraw/zinc/44/35/57/1040443557.db2.gz VNPBVKZWDXWCBE-JKSUJKDBSA-N 1 2 339.430 3.588 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000486833958 1040481206 /nfs/dbraw/zinc/48/12/06/1040481206.db2.gz LXXFOVWQTIKBHR-DJWKRKHSSA-N 1 2 344.455 3.635 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000418042072 1040495570 /nfs/dbraw/zinc/49/55/70/1040495570.db2.gz LDTUKNHMHMLWPF-MRXNPFEDSA-N 1 2 341.352 3.818 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000418042072 1040495578 /nfs/dbraw/zinc/49/55/78/1040495578.db2.gz LDTUKNHMHMLWPF-MRXNPFEDSA-N 1 2 341.352 3.818 20 0 EHADLO CCCCNC(=S)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000912969395 1040511953 /nfs/dbraw/zinc/51/19/53/1040511953.db2.gz UHQPIXTVWGTSOV-CQSZACIVSA-N 1 2 339.936 3.693 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000667841992 1040522350 /nfs/dbraw/zinc/52/23/50/1040522350.db2.gz SQLSLGSNONNOHS-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000433039047 1040523380 /nfs/dbraw/zinc/52/33/80/1040523380.db2.gz MHMZSBPXWVFREG-LPHOPBHVSA-N 1 2 332.488 3.752 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411183657 1040556675 /nfs/dbraw/zinc/55/66/75/1040556675.db2.gz YZLXBAXPFLBBGJ-UHFFFAOYSA-N 1 2 345.487 3.764 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000418086950 1040562484 /nfs/dbraw/zinc/56/24/84/1040562484.db2.gz ASBDSHGBPQCBFJ-UHFFFAOYSA-N 1 2 336.423 3.984 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261643 1040570881 /nfs/dbraw/zinc/57/08/81/1040570881.db2.gz VLIZGBAHXWRVCJ-UTKZUKDTSA-N 1 2 339.483 3.826 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261643 1040570892 /nfs/dbraw/zinc/57/08/92/1040570892.db2.gz VLIZGBAHXWRVCJ-UTKZUKDTSA-N 1 2 339.483 3.826 20 0 EHADLO Fc1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1Br ZINC000418112519 1040603809 /nfs/dbraw/zinc/60/38/09/1040603809.db2.gz YYCQTWAKWZOZAV-OAHLLOKOSA-N 1 2 336.204 3.949 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000668724544 1040632994 /nfs/dbraw/zinc/63/29/94/1040632994.db2.gz DENQPZYKSFHXRU-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000668724544 1040633008 /nfs/dbraw/zinc/63/30/08/1040633008.db2.gz DENQPZYKSFHXRU-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)cs1 ZINC000667558630 1040633694 /nfs/dbraw/zinc/63/36/94/1040633694.db2.gz MODWFYOMWVJNFH-QGZVFWFLSA-N 1 2 332.469 3.505 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)cs1 ZINC000667558630 1040633706 /nfs/dbraw/zinc/63/37/06/1040633706.db2.gz MODWFYOMWVJNFH-QGZVFWFLSA-N 1 2 332.469 3.505 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C1CCC(CSC)CC1 ZINC000419232142 1040640451 /nfs/dbraw/zinc/64/04/51/1040640451.db2.gz KNLPKDOQMYGKSC-ABHNRTSZSA-N 1 2 335.513 3.591 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@]1(C)CO ZINC000668736805 1040703324 /nfs/dbraw/zinc/70/33/24/1040703324.db2.gz HHIDMPFTDCFHQQ-PRHODGIISA-N 1 2 338.698 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@]1(C)CO ZINC000668736805 1040703342 /nfs/dbraw/zinc/70/33/42/1040703342.db2.gz HHIDMPFTDCFHQQ-PRHODGIISA-N 1 2 338.698 3.614 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)o1 ZINC000894118439 1040717306 /nfs/dbraw/zinc/71/73/06/1040717306.db2.gz XXWSOHSCDLNRLM-UHFFFAOYSA-N 1 2 331.746 3.526 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000500209088 1040724947 /nfs/dbraw/zinc/72/49/47/1040724947.db2.gz XFKDKAMSKDGWNN-JKSUJKDBSA-N 1 2 332.492 3.788 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000614230969 1040757824 /nfs/dbraw/zinc/75/78/24/1040757824.db2.gz CZZYCMXCSCPTCZ-LBPRGKRZSA-N 1 2 325.334 3.512 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)sn1 ZINC000660365620 1040780747 /nfs/dbraw/zinc/78/07/47/1040780747.db2.gz LGQNLKHCZNFKKS-SECBINFHSA-N 1 2 338.383 3.747 20 0 EHADLO CC(C)c1ocnc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000092798945 1040791453 /nfs/dbraw/zinc/79/14/53/1040791453.db2.gz OKDGLSWFFYYRNS-KRWDZBQOSA-N 1 2 341.455 3.583 20 0 EHADLO CC(C)c1ocnc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000092798945 1040791469 /nfs/dbraw/zinc/79/14/69/1040791469.db2.gz OKDGLSWFFYYRNS-KRWDZBQOSA-N 1 2 341.455 3.583 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(OC)c1 ZINC000051852919 1040798646 /nfs/dbraw/zinc/79/86/46/1040798646.db2.gz DNROJEDTFOXVMW-INIZCTEOSA-N 1 2 346.452 3.541 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c(OC)c1 ZINC000051852919 1040798660 /nfs/dbraw/zinc/79/86/60/1040798660.db2.gz DNROJEDTFOXVMW-INIZCTEOSA-N 1 2 346.452 3.541 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3nc(-c4ccc(C)cc4)cs3)C2)n[nH]1 ZINC000569809766 1040864334 /nfs/dbraw/zinc/86/43/34/1040864334.db2.gz CCOURKWSVHLHQP-HNNXBMFYSA-N 1 2 339.468 3.535 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3nc(-c4ccc(C)cc4)cs3)C2)n[nH]1 ZINC000569809766 1040864357 /nfs/dbraw/zinc/86/43/57/1040864357.db2.gz CCOURKWSVHLHQP-HNNXBMFYSA-N 1 2 339.468 3.535 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555609709 1040909174 /nfs/dbraw/zinc/90/91/74/1040909174.db2.gz YNVYBSCADWUNND-KRWDZBQOSA-N 1 2 342.487 3.947 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000487311463 1040916751 /nfs/dbraw/zinc/91/67/51/1040916751.db2.gz SSJIMVIMGFYPLF-UHFFFAOYSA-N 1 2 334.508 3.767 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000899655368 1040922102 /nfs/dbraw/zinc/92/21/02/1040922102.db2.gz KPHPRKWBSGYITJ-APWZRJJASA-N 1 2 333.435 3.866 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651520606 1040932867 /nfs/dbraw/zinc/93/28/67/1040932867.db2.gz GWHARAHPEDNNNK-UHFFFAOYSA-N 1 2 346.862 3.876 20 0 EHADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)NCc1ccco1 ZINC000016396711 1040937283 /nfs/dbraw/zinc/93/72/83/1040937283.db2.gz JQIJMAUHLCANRU-UHFFFAOYSA-N 1 2 346.477 3.721 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccco3)s2)cs1 ZINC000487330013 1040938261 /nfs/dbraw/zinc/93/82/61/1040938261.db2.gz DCNLORBNVKOTCP-JTQLQIEISA-N 1 2 335.454 3.857 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000491150586 1040944862 /nfs/dbraw/zinc/94/48/62/1040944862.db2.gz VYGRTTBVQUZHEO-TZMCWYRMSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000491150586 1040944883 /nfs/dbraw/zinc/94/48/83/1040944883.db2.gz VYGRTTBVQUZHEO-TZMCWYRMSA-N 1 2 349.272 3.997 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000481506543 1040984168 /nfs/dbraw/zinc/98/41/68/1040984168.db2.gz JARPHPRNAORBNM-CRAIPNDOSA-N 1 2 335.517 3.996 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143606409 1041009086 /nfs/dbraw/zinc/00/90/86/1041009086.db2.gz AOFFCZSKXDIZKQ-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143606409 1041009100 /nfs/dbraw/zinc/00/91/00/1041009100.db2.gz AOFFCZSKXDIZKQ-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc(F)c1F ZINC001143606424 1041010220 /nfs/dbraw/zinc/01/02/20/1041010220.db2.gz AWUQPKXWAWYAOZ-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487659698 1041015725 /nfs/dbraw/zinc/01/57/25/1041015725.db2.gz VPUWLRVOGWAPEQ-ZWKOTPCHSA-N 1 2 338.455 3.519 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000481527325 1041024487 /nfs/dbraw/zinc/02/44/87/1041024487.db2.gz JJRYHCDFQIIRIJ-HNNXBMFYSA-N 1 2 333.453 3.545 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481527325 1041024506 /nfs/dbraw/zinc/02/45/06/1041024506.db2.gz JJRYHCDFQIIRIJ-HNNXBMFYSA-N 1 2 333.453 3.545 20 0 EHADLO CC[C@@H]1C[C@]1([NH2+]Cc1nn(C)cc1Br)c1cccc(C)c1 ZINC000433189775 1041028454 /nfs/dbraw/zinc/02/84/54/1041028454.db2.gz DMYFERPKAGLICS-CXAGYDPISA-N 1 2 348.288 3.906 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000419275835 1041047431 /nfs/dbraw/zinc/04/74/31/1041047431.db2.gz DXMADXSVSYUOQM-KXBFYZLASA-N 1 2 344.455 3.518 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C2CC2)o1 ZINC000613742215 1041053060 /nfs/dbraw/zinc/05/30/60/1041053060.db2.gz UPZZFRAABOEBTF-UHFFFAOYSA-N 1 2 346.393 3.599 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C2CC2)o1 ZINC000613742215 1041053073 /nfs/dbraw/zinc/05/30/73/1041053073.db2.gz UPZZFRAABOEBTF-UHFFFAOYSA-N 1 2 346.393 3.599 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000487696367 1041056515 /nfs/dbraw/zinc/05/65/15/1041056515.db2.gz YQGYPOLEHKMZRR-RBUKOAKNSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000509806216 1041066855 /nfs/dbraw/zinc/06/68/55/1041066855.db2.gz KNMJHGAPQKHSMX-UHFFFAOYSA-N 1 2 339.826 3.807 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000487724325 1041074666 /nfs/dbraw/zinc/07/46/66/1041074666.db2.gz JQHYORTXTAAHAM-YLJYHZDGSA-N 1 2 349.478 3.560 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000481562304 1041081085 /nfs/dbraw/zinc/08/10/85/1041081085.db2.gz CATNPZRJCNHBHU-LJQANCHMSA-N 1 2 341.426 3.540 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147866 1041093371 /nfs/dbraw/zinc/09/33/71/1041093371.db2.gz ONSBHULYXWJWEB-PXNSSMCTSA-N 1 2 348.494 3.574 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487733422 1041094400 /nfs/dbraw/zinc/09/44/00/1041094400.db2.gz AUVOEFKBEOVXFW-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc(F)c1F ZINC001143611038 1041139369 /nfs/dbraw/zinc/13/93/69/1041139369.db2.gz NNLYMRJNPMABFL-HNNXBMFYSA-N 1 2 330.369 3.579 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)c(Br)cc2F)c[nH+]1 ZINC001175341074 1132644108 /nfs/dbraw/zinc/64/41/08/1132644108.db2.gz BESLOZALHFGTLA-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)c(Cl)c1 ZINC000433268238 1041179062 /nfs/dbraw/zinc/17/90/62/1041179062.db2.gz CPQGJMDZRMIKHV-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)c(Cl)c1 ZINC000433268238 1041179070 /nfs/dbraw/zinc/17/90/70/1041179070.db2.gz CPQGJMDZRMIKHV-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)c(F)c1 ZINC000487950814 1041199264 /nfs/dbraw/zinc/19/92/64/1041199264.db2.gz QSPDKBNSXUVJFD-SFHVURJKSA-N 1 2 328.366 3.816 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)c(F)c1 ZINC000487950814 1041199277 /nfs/dbraw/zinc/19/92/77/1041199277.db2.gz QSPDKBNSXUVJFD-SFHVURJKSA-N 1 2 328.366 3.816 20 0 EHADLO COCCOc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1OC ZINC000512908635 1041222121 /nfs/dbraw/zinc/22/21/21/1041222121.db2.gz ILYMOILRAHWPKX-UHFFFAOYSA-N 1 2 343.414 3.778 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000487987680 1041223336 /nfs/dbraw/zinc/22/33/36/1041223336.db2.gz KLRWIAZORZQDFZ-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000487987680 1041223353 /nfs/dbraw/zinc/22/33/53/1041223353.db2.gz KLRWIAZORZQDFZ-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783971491 1041234696 /nfs/dbraw/zinc/23/46/96/1041234696.db2.gz LZYZCFZFJNAPJR-OAHLLOKOSA-N 1 2 328.378 3.543 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783971491 1041234711 /nfs/dbraw/zinc/23/47/11/1041234711.db2.gz LZYZCFZFJNAPJR-OAHLLOKOSA-N 1 2 328.378 3.543 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000759869019 1041252823 /nfs/dbraw/zinc/25/28/23/1041252823.db2.gz QOLURTPXIOCXSD-NOZJJQNGSA-N 1 2 341.814 3.544 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)co2)c1 ZINC000433322742 1041279009 /nfs/dbraw/zinc/27/90/09/1041279009.db2.gz YXNRNTDIYOJPBS-UHFFFAOYSA-N 1 2 326.381 3.676 20 0 EHADLO CCC[N@H+](Cc1cc(C)nc(C)n1)[C@H](C)C(=O)Nc1ccccc1C ZINC000660432761 1041317353 /nfs/dbraw/zinc/31/73/53/1041317353.db2.gz WSVAHVBBVPHGAQ-MRXNPFEDSA-N 1 2 340.471 3.641 20 0 EHADLO CCC[N@@H+](Cc1cc(C)nc(C)n1)[C@H](C)C(=O)Nc1ccccc1C ZINC000660432761 1041317365 /nfs/dbraw/zinc/31/73/65/1041317365.db2.gz WSVAHVBBVPHGAQ-MRXNPFEDSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000660438158 1041357071 /nfs/dbraw/zinc/35/70/71/1041357071.db2.gz SIOQBHRGKYIDHE-GOSISDBHSA-N 1 2 332.492 3.665 20 0 EHADLO Cc1noc(C)c1-c1ccc(OC(=O)CCCn2cc[nH+]c2)cc1 ZINC000759907790 1041408955 /nfs/dbraw/zinc/40/89/55/1041408955.db2.gz MLOXXVPZOOXFNS-UHFFFAOYSA-N 1 2 325.368 3.541 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000894147092 1041431485 /nfs/dbraw/zinc/43/14/85/1041431485.db2.gz DAZGNEPKEUZHLH-UHFFFAOYSA-N 1 2 328.403 3.845 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)nc2ccccc12 ZINC000195624299 1041465727 /nfs/dbraw/zinc/46/57/27/1041465727.db2.gz CXNKZWBAWOZGDF-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO Cc1[nH+]c2c(n1[C@@H]1CCN(Cc3nc(C4CC4)cs3)C1)CCCC2 ZINC000432102839 1041594448 /nfs/dbraw/zinc/59/44/48/1041594448.db2.gz MXQCXKSDFACCSC-OAHLLOKOSA-N 1 2 342.512 3.851 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652097906 1041598053 /nfs/dbraw/zinc/59/80/53/1041598053.db2.gz YKEOVJZKWPLQSY-XUVXKRRUSA-N 1 2 349.478 3.557 20 0 EHADLO CC(C)c1cc(NCc2cc(Br)ccn2)nc(C(C)C)[nH+]1 ZINC000432138050 1041640754 /nfs/dbraw/zinc/64/07/54/1041640754.db2.gz VVYSWCNOZXHFQL-UHFFFAOYSA-N 1 2 349.276 3.915 20 0 EHADLO CC(C)C[N@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1CC1 ZINC000026625795 1041721958 /nfs/dbraw/zinc/72/19/58/1041721958.db2.gz RXPFXXAYXFIMHS-UHFFFAOYSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1CC1 ZINC000026625795 1041721966 /nfs/dbraw/zinc/72/19/66/1041721966.db2.gz RXPFXXAYXFIMHS-UHFFFAOYSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629577 1041739048 /nfs/dbraw/zinc/73/90/48/1041739048.db2.gz CNBSXKJVWBEGEG-KBPBESRZSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629577 1041739051 /nfs/dbraw/zinc/73/90/51/1041739051.db2.gz CNBSXKJVWBEGEG-KBPBESRZSA-N 1 2 345.393 3.566 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000343872536 1041757067 /nfs/dbraw/zinc/75/70/67/1041757067.db2.gz MVTNTPYMVWRKNN-SFHVURJKSA-N 1 2 349.482 3.592 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000343872536 1041757073 /nfs/dbraw/zinc/75/70/73/1041757073.db2.gz MVTNTPYMVWRKNN-SFHVURJKSA-N 1 2 349.482 3.592 20 0 EHADLO Cc1cc(C)n(CC[N@@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708660 1041780902 /nfs/dbraw/zinc/78/09/02/1041780902.db2.gz TUAXZORWGAQIPO-CYBMUJFWSA-N 1 2 331.851 3.723 20 0 EHADLO Cc1cc(C)n(CC[N@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708660 1041780913 /nfs/dbraw/zinc/78/09/13/1041780913.db2.gz TUAXZORWGAQIPO-CYBMUJFWSA-N 1 2 331.851 3.723 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2c(Cl)ccc3cccnc32)n1 ZINC000660745595 1041796705 /nfs/dbraw/zinc/79/67/05/1041796705.db2.gz FCRMHQTXXSWGGW-UHFFFAOYSA-N 1 2 342.830 3.717 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cc(C2CC2)no1)c1cc(Cl)cc(Cl)c1 ZINC000660739874 1041799421 /nfs/dbraw/zinc/79/94/21/1041799421.db2.gz IMWSVBOWFUVONS-INIZCTEOSA-N 1 2 341.238 3.856 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000044070682 1041816288 /nfs/dbraw/zinc/81/62/88/1041816288.db2.gz WBSVMHAYENBPHM-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000044070682 1041816293 /nfs/dbraw/zinc/81/62/93/1041816293.db2.gz WBSVMHAYENBPHM-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000651673829 1041891170 /nfs/dbraw/zinc/89/11/70/1041891170.db2.gz YKIGIUOBJJQCSK-RHSMWYFYSA-N 1 2 333.451 3.689 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccco2)CC1 ZINC000661162648 1041976425 /nfs/dbraw/zinc/97/64/25/1041976425.db2.gz VHMCMASBXKJAGA-LJQANCHMSA-N 1 2 342.414 3.618 20 0 EHADLO CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000661247155 1042029377 /nfs/dbraw/zinc/02/93/77/1042029377.db2.gz GYSZHOKXAAIMNP-HNNXBMFYSA-N 1 2 332.835 3.514 20 0 EHADLO C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786345 1042032610 /nfs/dbraw/zinc/03/26/10/1042032610.db2.gz SZGMTJWFCQMKPN-CJNGLKHVSA-N 1 2 340.870 3.557 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1cncc(F)c1 ZINC000164352387 1042075334 /nfs/dbraw/zinc/07/53/34/1042075334.db2.gz VSRNABVCKYMQTM-INIZCTEOSA-N 1 2 338.430 3.901 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c(C)[nH+]1 ZINC001126085239 1042121357 /nfs/dbraw/zinc/12/13/57/1042121357.db2.gz WSFZFYCSNDZCRS-LJQANCHMSA-N 1 2 337.467 3.748 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000651882402 1042137584 /nfs/dbraw/zinc/13/75/84/1042137584.db2.gz NNIHIGFEKBZAKB-ZWKOTPCHSA-N 1 2 337.467 3.605 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC2=CCCOC2)c(C)n1CCC(C)C ZINC000661658132 1042238389 /nfs/dbraw/zinc/23/83/89/1042238389.db2.gz ZHCBFPWOPDUETM-UHFFFAOYSA-N 1 2 332.488 3.612 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC2=CCCOC2)c(C)n1CCC(C)C ZINC000661658132 1042238396 /nfs/dbraw/zinc/23/83/96/1042238396.db2.gz ZHCBFPWOPDUETM-UHFFFAOYSA-N 1 2 332.488 3.612 20 0 EHADLO Cc1nccn1CCCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736660 1042290889 /nfs/dbraw/zinc/29/08/89/1042290889.db2.gz RZPTVUCBORXABH-IBGZPJMESA-N 1 2 345.462 3.963 20 0 EHADLO Cc1nccn1CCCC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736660 1042290898 /nfs/dbraw/zinc/29/08/98/1042290898.db2.gz RZPTVUCBORXABH-IBGZPJMESA-N 1 2 345.462 3.963 20 0 EHADLO Cc1[nH+]ccn1CCCCN1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736660 1042290902 /nfs/dbraw/zinc/29/09/02/1042290902.db2.gz RZPTVUCBORXABH-IBGZPJMESA-N 1 2 345.462 3.963 20 0 EHADLO CCC(C)(C)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000467252022 1042397358 /nfs/dbraw/zinc/39/73/58/1042397358.db2.gz VLNXIJQRCDEMBB-UHFFFAOYSA-N 1 2 329.444 3.548 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997076 1042452542 /nfs/dbraw/zinc/45/25/42/1042452542.db2.gz JKQMKSSSXVEPKN-AWEZNQCLSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997076 1042452545 /nfs/dbraw/zinc/45/25/45/1042452545.db2.gz JKQMKSSSXVEPKN-AWEZNQCLSA-N 1 2 339.439 3.689 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998110 1042455560 /nfs/dbraw/zinc/45/55/60/1042455560.db2.gz SUMHHQOHYFKJSB-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998110 1042455563 /nfs/dbraw/zinc/45/55/63/1042455563.db2.gz SUMHHQOHYFKJSB-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)no1 ZINC000662065284 1042493558 /nfs/dbraw/zinc/49/35/58/1042493558.db2.gz PZESPDMINJMHPA-QGZVFWFLSA-N 1 2 335.407 3.698 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)no1 ZINC000662065284 1042493563 /nfs/dbraw/zinc/49/35/63/1042493563.db2.gz PZESPDMINJMHPA-QGZVFWFLSA-N 1 2 335.407 3.698 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](Cc1nnn(CC(F)(F)F)n1)C(C)C ZINC000662106914 1042522355 /nfs/dbraw/zinc/52/23/55/1042522355.db2.gz KBNTZXWYJITCCO-CQSZACIVSA-N 1 2 341.381 3.597 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](Cc1nnn(CC(F)(F)F)n1)C(C)C ZINC000662106914 1042522361 /nfs/dbraw/zinc/52/23/61/1042522361.db2.gz KBNTZXWYJITCCO-CQSZACIVSA-N 1 2 341.381 3.597 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184437539 1042542244 /nfs/dbraw/zinc/54/22/44/1042542244.db2.gz RJOSPWKVOPJPHF-GOEBONIOSA-N 1 2 331.485 3.697 20 0 EHADLO C/C=C/C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000728842306 1042574062 /nfs/dbraw/zinc/57/40/62/1042574062.db2.gz LVWUFWUUJZHIEA-GORDUTHDSA-N 1 2 331.419 3.791 20 0 EHADLO CC1(C)[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1(F)F ZINC000663232929 1042579371 /nfs/dbraw/zinc/57/93/71/1042579371.db2.gz SBIRVQDYKMRYDU-ZDUSSCGKSA-N 1 2 329.354 3.519 20 0 EHADLO CC(C)c1cccc(CNc2cccc(CN3CCOCC3)[nH+]2)c1 ZINC000663257323 1042605692 /nfs/dbraw/zinc/60/56/92/1042605692.db2.gz QJUNVYCSMTVNBK-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C12CCCCC2 ZINC000893558724 1042640814 /nfs/dbraw/zinc/64/08/14/1042640814.db2.gz DAPHNNSIPKKDPZ-KZNAEPCWSA-N 1 2 340.471 3.612 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161550364 1042670758 /nfs/dbraw/zinc/67/07/58/1042670758.db2.gz FHNAQTBLHBRDOP-MRXNPFEDSA-N 1 2 347.418 3.760 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1-n1cccn1 ZINC000161782666 1042685513 /nfs/dbraw/zinc/68/55/13/1042685513.db2.gz MFBMVOSIBCZJGU-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1C ZINC000662331642 1042686628 /nfs/dbraw/zinc/68/66/28/1042686628.db2.gz OLYVWKIWEOPYKF-UHFFFAOYSA-N 1 2 336.435 3.638 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC3CC2(c2ccccc2)C3)c1C ZINC000662331642 1042686631 /nfs/dbraw/zinc/68/66/31/1042686631.db2.gz OLYVWKIWEOPYKF-UHFFFAOYSA-N 1 2 336.435 3.638 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000161821313 1042688762 /nfs/dbraw/zinc/68/87/62/1042688762.db2.gz QDLGWDJTOMKLMM-UHFFFAOYSA-N 1 2 330.347 3.583 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3csnc3-c3ccccc3)[nH+]c12 ZINC001126237369 1042731520 /nfs/dbraw/zinc/73/15/20/1042731520.db2.gz PNDHZLKUYCAICH-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(OC)cc2OC)o1 ZINC000165295826 1042768111 /nfs/dbraw/zinc/76/81/11/1042768111.db2.gz IPKNIKDGZRFUFV-GUYCJALGSA-N 1 2 333.428 3.898 20 0 EHADLO C[C@H](CNc1nc2cccc(OC(F)F)c2s1)Cn1cc[nH+]c1 ZINC000663393613 1042808889 /nfs/dbraw/zinc/80/88/89/1042808889.db2.gz HHGUMWSTXZIEJW-SNVBAGLBSA-N 1 2 338.383 3.842 20 0 EHADLO CCOc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000121777284 1042812243 /nfs/dbraw/zinc/81/22/43/1042812243.db2.gz NYDHFRKWHANRIM-UHFFFAOYSA-N 1 2 327.428 3.701 20 0 EHADLO CCc1cc(C)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000408272079 1042907265 /nfs/dbraw/zinc/90/72/65/1042907265.db2.gz WUSMDHHUYHZGQU-UHFFFAOYSA-N 1 2 341.455 3.703 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1cc2n(n1)CCCC2 ZINC000663475664 1042909259 /nfs/dbraw/zinc/90/92/59/1042909259.db2.gz RSCJEURIHQTJSK-QAPCUYQASA-N 1 2 347.466 3.743 20 0 EHADLO O=C(Nc1ccc(C2CCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000278913066 1042927149 /nfs/dbraw/zinc/92/71/49/1042927149.db2.gz KVZDVQWWAIOINB-UHFFFAOYSA-N 1 2 336.439 3.703 20 0 EHADLO c1cc(NC2CCCC2)[nH+]cc1Nc1nc(C2CCOCC2)ns1 ZINC000663521494 1042971901 /nfs/dbraw/zinc/97/19/01/1042971901.db2.gz BHMBHXKTFGRWKD-UHFFFAOYSA-N 1 2 345.472 3.925 20 0 EHADLO Clc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccn2)cc1 ZINC000931801785 1043033658 /nfs/dbraw/zinc/03/36/58/1043033658.db2.gz WFWHOOMGJNTBHE-LJQANCHMSA-N 1 2 338.842 3.648 20 0 EHADLO Clc1ccc([C@@H]2c3[nH]cnc3CC[N@@H+]2CCc2ccccn2)cc1 ZINC000931801785 1043033663 /nfs/dbraw/zinc/03/36/63/1043033663.db2.gz WFWHOOMGJNTBHE-LJQANCHMSA-N 1 2 338.842 3.648 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278941745 1043052981 /nfs/dbraw/zinc/05/29/81/1043052981.db2.gz NPYCIQRKIQXFJK-CYBMUJFWSA-N 1 2 340.443 3.546 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278941745 1043052994 /nfs/dbraw/zinc/05/29/94/1043052994.db2.gz NPYCIQRKIQXFJK-CYBMUJFWSA-N 1 2 340.443 3.546 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)oc2c1C(=O)CCC2 ZINC000049636914 1043078460 /nfs/dbraw/zinc/07/84/60/1043078460.db2.gz POIDJXKTQUGHKU-UHFFFAOYSA-N 1 2 335.363 3.545 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c1 ZINC000348553684 1043118270 /nfs/dbraw/zinc/11/82/70/1043118270.db2.gz OGSNYQUQLWXEGP-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000348553684 1043118279 /nfs/dbraw/zinc/11/82/79/1043118279.db2.gz OGSNYQUQLWXEGP-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@H]2COc3ccc(F)cc32)cc1OC ZINC000344131536 1043303811 /nfs/dbraw/zinc/30/38/11/1043303811.db2.gz MWMBECSDMPGSGH-BONVTDFDSA-N 1 2 335.350 3.766 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000344172374 1043360563 /nfs/dbraw/zinc/36/05/63/1043360563.db2.gz UKOKRUDIBGAOML-CYBMUJFWSA-N 1 2 344.484 3.658 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000344172374 1043360566 /nfs/dbraw/zinc/36/05/66/1043360566.db2.gz UKOKRUDIBGAOML-CYBMUJFWSA-N 1 2 344.484 3.658 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@H](COCc2ccccc2)C1 ZINC000663666959 1043377732 /nfs/dbraw/zinc/37/77/32/1043377732.db2.gz BMQDXVPMYUCTNK-QGZVFWFLSA-N 1 2 333.435 3.860 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)cc1 ZINC000344190202 1043395517 /nfs/dbraw/zinc/39/55/17/1043395517.db2.gz SCHGFPXREAVZQI-UHFFFAOYSA-N 1 2 326.425 3.667 20 0 EHADLO Cc1cccc(C)c1OCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344204219 1043409607 /nfs/dbraw/zinc/40/96/07/1043409607.db2.gz GCSMQNYDUOUSDA-UHFFFAOYSA-N 1 2 349.434 3.688 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000663675012 1043465640 /nfs/dbraw/zinc/46/56/40/1043465640.db2.gz MUAAYJQXBAXXKR-GHMZBOCLSA-N 1 2 349.278 3.994 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000344228006 1043482233 /nfs/dbraw/zinc/48/22/33/1043482233.db2.gz AZKZDRCSMKLOTN-AWEZNQCLSA-N 1 2 347.459 3.976 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000344228006 1043482226 /nfs/dbraw/zinc/48/22/26/1043482226.db2.gz AZKZDRCSMKLOTN-AWEZNQCLSA-N 1 2 347.459 3.976 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1Cc1cnc[nH]1 ZINC000344240953 1043494066 /nfs/dbraw/zinc/49/40/66/1043494066.db2.gz VZENFZZOLUUDAS-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1Cc1cnc[nH]1 ZINC000344240953 1043494068 /nfs/dbraw/zinc/49/40/68/1043494068.db2.gz VZENFZZOLUUDAS-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1Cc1c[nH]cn1 ZINC000344240953 1043494070 /nfs/dbraw/zinc/49/40/70/1043494070.db2.gz VZENFZZOLUUDAS-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1Cc1c[nH]cn1 ZINC000344240953 1043494074 /nfs/dbraw/zinc/49/40/74/1043494074.db2.gz VZENFZZOLUUDAS-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000283317640 1043529175 /nfs/dbraw/zinc/52/91/75/1043529175.db2.gz ZLBUMAAPJMOLQS-YEJXKQKISA-N 1 2 343.279 3.598 20 0 EHADLO C[C@H]1CCc2nc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)sc2C1 ZINC000344258879 1043538631 /nfs/dbraw/zinc/53/86/31/1043538631.db2.gz SXDQFORANBEJDO-LBPRGKRZSA-N 1 2 338.436 3.706 20 0 EHADLO CNc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000279200595 1043554570 /nfs/dbraw/zinc/55/45/70/1043554570.db2.gz KZJPUGMASHMONG-UHFFFAOYSA-N 1 2 347.422 3.575 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000344416749 1043982646 /nfs/dbraw/zinc/98/26/46/1043982646.db2.gz VHAFORDEJQQOPS-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000344416749 1043982654 /nfs/dbraw/zinc/98/26/54/1043982654.db2.gz VHAFORDEJQQOPS-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000279375670 1044003172 /nfs/dbraw/zinc/00/31/72/1044003172.db2.gz HKVSKRQNABZOPT-GOSISDBHSA-N 1 2 325.412 3.910 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)cc(Cl)c1OC ZINC000344636600 1044225501 /nfs/dbraw/zinc/22/55/01/1044225501.db2.gz GZDAEFDKWLOKQU-UHFFFAOYSA-N 1 2 341.864 3.622 20 0 EHADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccoc1 ZINC000344635733 1044226314 /nfs/dbraw/zinc/22/63/14/1044226314.db2.gz XLPXBONKAGXZKY-HXUWFJFHSA-N 1 2 332.252 3.826 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccoc1 ZINC000344635733 1044226330 /nfs/dbraw/zinc/22/63/30/1044226330.db2.gz XLPXBONKAGXZKY-HXUWFJFHSA-N 1 2 332.252 3.826 20 0 EHADLO CC(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)=C1CCCC1 ZINC000279554374 1044226550 /nfs/dbraw/zinc/22/65/50/1044226550.db2.gz PMEHMIGZSABMDH-UHFFFAOYSA-N 1 2 327.472 3.816 20 0 EHADLO COCC[C@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccco1 ZINC000663782937 1044454835 /nfs/dbraw/zinc/45/48/35/1044454835.db2.gz CTFMGOQJYHWRAG-NSHDSACASA-N 1 2 340.221 3.639 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000613999748 1044647811 /nfs/dbraw/zinc/64/78/11/1044647811.db2.gz GFPQBOXAPUAGEH-IRXDYDNUSA-N 1 2 331.504 3.901 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)cc(C)cc1F ZINC000614000346 1044662039 /nfs/dbraw/zinc/66/20/39/1044662039.db2.gz LTROFUHWSYLNSW-UHFFFAOYSA-N 1 2 335.398 3.585 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ncc(C(C)(C)C)s2)CC1 ZINC000279852372 1044749291 /nfs/dbraw/zinc/74/92/91/1044749291.db2.gz PDHGMVFWZBHXED-OAHLLOKOSA-N 1 2 344.528 3.714 20 0 EHADLO CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000279876424 1044791281 /nfs/dbraw/zinc/79/12/81/1044791281.db2.gz DXFCEEOKDZHSQT-GOEBONIOSA-N 1 2 327.428 3.919 20 0 EHADLO CC[C@@H]1CCC[C@H](C)N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000620578247 1125599830 /nfs/dbraw/zinc/59/98/30/1125599830.db2.gz YYTNCKYRQAJNRU-FUHWJXTLSA-N 1 2 325.456 3.654 20 0 EHADLO CC(C)(C)C(F)(F)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620613939 1125609456 /nfs/dbraw/zinc/60/94/56/1125609456.db2.gz ZKXGIHPTSJOCHF-AWEZNQCLSA-N 1 2 335.398 3.729 20 0 EHADLO CC(C)C[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000153706887 1125651701 /nfs/dbraw/zinc/65/17/01/1125651701.db2.gz GIBDLDIKTSGLDL-FZMZJTMJSA-N 1 2 326.366 3.937 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000154993446 1125774088 /nfs/dbraw/zinc/77/40/88/1125774088.db2.gz ZLZGZKRYNISSEN-UHFFFAOYSA-N 1 2 343.814 3.558 20 0 EHADLO C[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000622545980 1126715786 /nfs/dbraw/zinc/71/57/86/1126715786.db2.gz CNANYDWKQRAIDS-CQSZACIVSA-N 1 2 334.891 3.641 20 0 EHADLO C[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000622545980 1126715789 /nfs/dbraw/zinc/71/57/89/1126715789.db2.gz CNANYDWKQRAIDS-CQSZACIVSA-N 1 2 334.891 3.641 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988340 1126728639 /nfs/dbraw/zinc/72/86/39/1126728639.db2.gz QLQPHFHZXXEHAW-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988340 1126728643 /nfs/dbraw/zinc/72/86/43/1126728643.db2.gz QLQPHFHZXXEHAW-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3C)c2C1 ZINC000171346527 1126762695 /nfs/dbraw/zinc/76/26/95/1126762695.db2.gz CGPHMODXRXOZBF-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3C)c2C1 ZINC000171346527 1126762699 /nfs/dbraw/zinc/76/26/99/1126762699.db2.gz CGPHMODXRXOZBF-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc(C)cs2)ccc1OC(F)F ZINC000172451264 1126794462 /nfs/dbraw/zinc/79/44/62/1126794462.db2.gz XQKVRQVNAXLPLX-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc(C)cs2)ccc1OC(F)F ZINC000172451264 1126794464 /nfs/dbraw/zinc/79/44/64/1126794464.db2.gz XQKVRQVNAXLPLX-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000671244075 1126816297 /nfs/dbraw/zinc/81/62/97/1126816297.db2.gz KAPHVQBUWAOUQJ-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000671244075 1126816300 /nfs/dbraw/zinc/81/63/00/1126816300.db2.gz KAPHVQBUWAOUQJ-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1nc(C(C)(C)C)no1 ZINC000173199408 1126826261 /nfs/dbraw/zinc/82/62/61/1126826261.db2.gz DEPUZVGKHPHNIE-UONOGXRCSA-N 1 2 339.443 3.965 20 0 EHADLO Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2nccs2)c1 ZINC000174407780 1126852702 /nfs/dbraw/zinc/85/27/02/1126852702.db2.gz RPJHLCZLMVQRFG-CQSZACIVSA-N 1 2 338.860 3.644 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)o1 ZINC000174478436 1126853172 /nfs/dbraw/zinc/85/31/72/1126853172.db2.gz YVJWVBDZRIYZMH-ACJLOTCBSA-N 1 2 345.439 3.651 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000623042691 1126859982 /nfs/dbraw/zinc/85/99/82/1126859982.db2.gz KLUOTQUCDHDMGT-AWEZNQCLSA-N 1 2 333.863 3.927 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000623042691 1126859986 /nfs/dbraw/zinc/85/99/86/1126859986.db2.gz KLUOTQUCDHDMGT-AWEZNQCLSA-N 1 2 333.863 3.927 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCc1cccs1 ZINC000175020292 1126864928 /nfs/dbraw/zinc/86/49/28/1126864928.db2.gz GXVGDKDARSFQEY-WDEREUQCSA-N 1 2 340.851 3.896 20 0 EHADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000763839084 1126883238 /nfs/dbraw/zinc/88/32/38/1126883238.db2.gz FGNJLHCNYPAVKV-UHFFFAOYSA-N 1 2 326.387 3.677 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000623185097 1126892146 /nfs/dbraw/zinc/89/21/46/1126892146.db2.gz LCZFBJVVQVDRGL-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO CC(=O)Oc1ccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)cc1 ZINC000185466198 1126903581 /nfs/dbraw/zinc/90/35/81/1126903581.db2.gz ZRMCSVZNCSOOPV-HNNXBMFYSA-N 1 2 344.480 3.552 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258062 1126903772 /nfs/dbraw/zinc/90/37/72/1126903772.db2.gz GUZCVPAOUIFOQO-ZDUSSCGKSA-N 1 2 346.377 3.828 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258062 1126903775 /nfs/dbraw/zinc/90/37/75/1126903775.db2.gz GUZCVPAOUIFOQO-ZDUSSCGKSA-N 1 2 346.377 3.828 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc2ccccc2n1-c1ccccc1 ZINC000623266488 1126906000 /nfs/dbraw/zinc/90/60/00/1126906000.db2.gz PIVOGFKGMREXRZ-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000623277419 1126908212 /nfs/dbraw/zinc/90/82/12/1126908212.db2.gz FUUZGMXFRMFROD-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297459 1126910498 /nfs/dbraw/zinc/91/04/98/1126910498.db2.gz FOOILZFRNVYIPB-IBGZPJMESA-N 1 2 345.446 3.536 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306359 1126911446 /nfs/dbraw/zinc/91/14/46/1126911446.db2.gz LMVKQNHCFVFSPO-HNNXBMFYSA-N 1 2 341.480 3.686 20 0 EHADLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCc1nsc2ccccc12 ZINC000623291287 1126912204 /nfs/dbraw/zinc/91/22/04/1126912204.db2.gz GUIRSSFXMLWUGZ-CYBMUJFWSA-N 1 2 337.448 3.682 20 0 EHADLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCc1nsc2ccccc12 ZINC000623291287 1126912207 /nfs/dbraw/zinc/91/22/07/1126912207.db2.gz GUIRSSFXMLWUGZ-CYBMUJFWSA-N 1 2 337.448 3.682 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000072918390 1126934177 /nfs/dbraw/zinc/93/41/77/1126934177.db2.gz ZINUXUQJVUMRGZ-UONOGXRCSA-N 1 2 332.473 3.938 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000072918390 1126934179 /nfs/dbraw/zinc/93/41/79/1126934179.db2.gz ZINUXUQJVUMRGZ-UONOGXRCSA-N 1 2 332.473 3.938 20 0 EHADLO CN(C)C(=O)[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccccc1 ZINC000623383132 1126938914 /nfs/dbraw/zinc/93/89/14/1126938914.db2.gz FLDBAZMQIAPHMG-AWEZNQCLSA-N 1 2 342.386 3.686 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)cn2c1 ZINC000176911609 1126958997 /nfs/dbraw/zinc/95/89/97/1126958997.db2.gz HUTFZIPNEJKTSG-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)cn2c1 ZINC000176911609 1126959001 /nfs/dbraw/zinc/95/90/01/1126959001.db2.gz HUTFZIPNEJKTSG-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(F)ccc(F)c2Cl)c(C(F)(F)F)n1 ZINC000623469965 1126962090 /nfs/dbraw/zinc/96/20/90/1126962090.db2.gz YGUHCRAVESZMBW-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO Cc1cc(CNc2ccc(N3CCCC3)[nH+]c2)ncc1Br ZINC000623468496 1126962474 /nfs/dbraw/zinc/96/24/74/1126962474.db2.gz WVWKQMORGFCOCD-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000623558068 1126984988 /nfs/dbraw/zinc/98/49/88/1126984988.db2.gz PCCMMQKRRUHKCV-CYBMUJFWSA-N 1 2 344.249 3.863 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)c1 ZINC000179034581 1127042650 /nfs/dbraw/zinc/04/26/50/1127042650.db2.gz LHWCKAJENMRZRK-HNNXBMFYSA-N 1 2 333.844 3.703 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)c1 ZINC000179034581 1127042655 /nfs/dbraw/zinc/04/26/55/1127042655.db2.gz LHWCKAJENMRZRK-HNNXBMFYSA-N 1 2 333.844 3.703 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)[C@H](c2ccccc2)C1 ZINC000179417202 1127062520 /nfs/dbraw/zinc/06/25/20/1127062520.db2.gz QOHSSGWIWOYRJO-FQEVSTJZSA-N 1 2 349.409 3.503 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)[C@H](c2ccccc2)C1 ZINC000179417202 1127062525 /nfs/dbraw/zinc/06/25/25/1127062525.db2.gz QOHSSGWIWOYRJO-FQEVSTJZSA-N 1 2 349.409 3.503 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350189786 1127065999 /nfs/dbraw/zinc/06/59/99/1127065999.db2.gz LZTYMSDUSBCLSP-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350189786 1127066001 /nfs/dbraw/zinc/06/60/01/1127066001.db2.gz LZTYMSDUSBCLSP-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1OC ZINC000179624494 1127076002 /nfs/dbraw/zinc/07/60/02/1127076002.db2.gz YLDLJKPEFZRIDZ-LBPRGKRZSA-N 1 2 343.383 3.506 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000179640793 1127076937 /nfs/dbraw/zinc/07/69/37/1127076937.db2.gz CNSCWFRHYAUCCZ-OAHLLOKOSA-N 1 2 339.414 3.846 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000179909724 1127099587 /nfs/dbraw/zinc/09/95/87/1127099587.db2.gz DZSPNTVFKLVANK-LLVKDONJSA-N 1 2 335.350 3.691 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3cn(C)nc3C(C)(C)C)CCO2)ccc1F ZINC000180414708 1127153703 /nfs/dbraw/zinc/15/37/03/1127153703.db2.gz UUTNYLAVKCLRKY-SFHVURJKSA-N 1 2 345.462 3.739 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3C(C)(C)C)CCO2)ccc1F ZINC000180414708 1127153705 /nfs/dbraw/zinc/15/37/05/1127153705.db2.gz UUTNYLAVKCLRKY-SFHVURJKSA-N 1 2 345.462 3.739 20 0 EHADLO c1cn(Cc2cccc(-c3noc(COCC4CCCC4)n3)c2)c[nH+]1 ZINC000351172709 1127150344 /nfs/dbraw/zinc/15/03/44/1127150344.db2.gz QMFSYCFIOLRRBX-UHFFFAOYSA-N 1 2 338.411 3.688 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1C(F)(F)F ZINC000624010117 1127232546 /nfs/dbraw/zinc/23/25/46/1127232546.db2.gz IIVLVFZHDWGXNH-VYUIOLGVSA-N 1 2 328.313 3.793 20 0 EHADLO C[C@H]1CCN(c2cnc3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000624035091 1127237796 /nfs/dbraw/zinc/23/77/96/1127237796.db2.gz JMINHAJVZWUCAH-BLLLJJGKSA-N 1 2 327.819 3.567 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624155780 1127259057 /nfs/dbraw/zinc/25/90/57/1127259057.db2.gz DJIVVRBLBFCZQL-ZDUSSCGKSA-N 1 2 326.366 3.694 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCCC3)c(OC)c1 ZINC000624141214 1127260540 /nfs/dbraw/zinc/26/05/40/1127260540.db2.gz KDLIXPXGMJTSIB-KBPBESRZSA-N 1 2 329.444 3.648 20 0 EHADLO CCn1ccnc1[C@H]1CCCCN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624180040 1127276261 /nfs/dbraw/zinc/27/62/61/1127276261.db2.gz VOSWSHHCAIEODI-QGZVFWFLSA-N 1 2 346.438 3.831 20 0 EHADLO CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000181507341 1127280530 /nfs/dbraw/zinc/28/05/30/1127280530.db2.gz OAIFPTNEGOUUST-MRXNPFEDSA-N 1 2 326.440 3.922 20 0 EHADLO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181736729 1127293021 /nfs/dbraw/zinc/29/30/21/1127293021.db2.gz SCHNVSBSPHCWGO-NSHDSACASA-N 1 2 336.794 3.777 20 0 EHADLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1C(C)C)C2 ZINC000182701043 1127344350 /nfs/dbraw/zinc/34/43/50/1127344350.db2.gz CLMUFZIDRSTQKO-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C2 ZINC000182701043 1127344356 /nfs/dbraw/zinc/34/43/56/1127344356.db2.gz CLMUFZIDRSTQKO-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(OCC(F)(F)F)c1 ZINC000183100103 1127363043 /nfs/dbraw/zinc/36/30/43/1127363043.db2.gz OPDOLMQKRYCHPL-LBPRGKRZSA-N 1 2 327.350 3.520 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000183628391 1127382975 /nfs/dbraw/zinc/38/29/75/1127382975.db2.gz MKJWYVPJCSAYQX-KRWDZBQOSA-N 1 2 325.437 3.710 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184246459 1127398723 /nfs/dbraw/zinc/39/87/23/1127398723.db2.gz UTRGLIUWIVFNGS-CYBMUJFWSA-N 1 2 331.485 3.866 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)n1 ZINC000184255751 1127399808 /nfs/dbraw/zinc/39/98/08/1127399808.db2.gz OCCNRBLVFACSAK-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184477028 1127405770 /nfs/dbraw/zinc/40/57/70/1127405770.db2.gz XEOCUWLWQQSXKE-LBPRGKRZSA-N 1 2 347.484 3.739 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)c1ccc(C)o1 ZINC000184663478 1127410518 /nfs/dbraw/zinc/41/05/18/1127410518.db2.gz WVVPEXQEIXDZDO-KRWDZBQOSA-N 1 2 330.428 3.627 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C)cccc2CC)o1 ZINC000184859134 1127415078 /nfs/dbraw/zinc/41/50/78/1127415078.db2.gz WPBRVFPBNJVYFZ-KRWDZBQOSA-N 1 2 344.455 3.629 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000193323746 1127435716 /nfs/dbraw/zinc/43/57/16/1127435716.db2.gz WWXWCDYFPQPOCI-HNNXBMFYSA-N 1 2 346.446 3.766 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000193323746 1127435720 /nfs/dbraw/zinc/43/57/20/1127435720.db2.gz WWXWCDYFPQPOCI-HNNXBMFYSA-N 1 2 346.446 3.766 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[NH2+]C2(c3nccs3)CCCC2)C1 ZINC000764127382 1127446364 /nfs/dbraw/zinc/44/63/64/1127446364.db2.gz SNIPYABBVLVUAZ-GFCCVEGCSA-N 1 2 349.525 3.508 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194198149 1127454411 /nfs/dbraw/zinc/45/44/11/1127454411.db2.gz DVNHCGMRRAFHTE-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194198149 1127454414 /nfs/dbraw/zinc/45/44/14/1127454414.db2.gz DVNHCGMRRAFHTE-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)C(F)(F)F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000764783471 1127530738 /nfs/dbraw/zinc/53/07/38/1127530738.db2.gz MGYOOXFZGAWQBT-KGLIPLIRSA-N 1 2 343.389 3.824 20 0 EHADLO Nc1ccc(N[C@@H]2COc3c2ccc(Br)c3Cl)c[nH+]1 ZINC001168533637 1127532823 /nfs/dbraw/zinc/53/28/23/1127532823.db2.gz MFXIANFCVMPHKJ-SNVBAGLBSA-N 1 2 340.608 3.625 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914080 1127550537 /nfs/dbraw/zinc/55/05/37/1127550537.db2.gz GXCNTFWIKBRMMM-OAHLLOKOSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914080 1127550539 /nfs/dbraw/zinc/55/05/39/1127550539.db2.gz GXCNTFWIKBRMMM-OAHLLOKOSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058801 1127568030 /nfs/dbraw/zinc/56/80/30/1127568030.db2.gz YODNBWDMDZMUOJ-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058801 1127568032 /nfs/dbraw/zinc/56/80/32/1127568032.db2.gz YODNBWDMDZMUOJ-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058807 1127568082 /nfs/dbraw/zinc/56/80/82/1127568082.db2.gz YODNBWDMDZMUOJ-ZIAGYGMSSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058807 1127568085 /nfs/dbraw/zinc/56/80/85/1127568085.db2.gz YODNBWDMDZMUOJ-ZIAGYGMSSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccccn1 ZINC000765069080 1127570072 /nfs/dbraw/zinc/57/00/72/1127570072.db2.gz VXKGHGUVQLVXON-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccccn1 ZINC000765069080 1127570075 /nfs/dbraw/zinc/57/00/75/1127570075.db2.gz VXKGHGUVQLVXON-ZDUSSCGKSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765063377 1127571681 /nfs/dbraw/zinc/57/16/81/1127571681.db2.gz YPZKERUHOCXLSA-QWHCGFSZSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765063377 1127571684 /nfs/dbraw/zinc/57/16/84/1127571684.db2.gz YPZKERUHOCXLSA-QWHCGFSZSA-N 1 2 334.464 3.928 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c(C)c1 ZINC000921521590 1127624229 /nfs/dbraw/zinc/62/42/29/1127624229.db2.gz LLTJYRHMQGDJBN-LJQANCHMSA-N 1 2 339.414 3.755 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010107252 1127628441 /nfs/dbraw/zinc/62/84/41/1127628441.db2.gz DCNBHSXTJNBHGP-IBGZPJMESA-N 1 2 346.471 3.759 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010107252 1127628443 /nfs/dbraw/zinc/62/84/43/1127628443.db2.gz DCNBHSXTJNBHGP-IBGZPJMESA-N 1 2 346.471 3.759 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000014924175 1127649409 /nfs/dbraw/zinc/64/94/09/1127649409.db2.gz JMXQKAZIVOSWBH-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000014924175 1127649410 /nfs/dbraw/zinc/64/94/10/1127649410.db2.gz JMXQKAZIVOSWBH-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000016377734 1127662099 /nfs/dbraw/zinc/66/20/99/1127662099.db2.gz VPJOMYQHRYHJPX-LLVKDONJSA-N 1 2 332.391 3.621 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000016377734 1127662101 /nfs/dbraw/zinc/66/21/01/1127662101.db2.gz VPJOMYQHRYHJPX-LLVKDONJSA-N 1 2 332.391 3.621 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000016563811 1127663647 /nfs/dbraw/zinc/66/36/47/1127663647.db2.gz JNZIRSKVXRIJNS-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000016563811 1127663648 /nfs/dbraw/zinc/66/36/48/1127663648.db2.gz JNZIRSKVXRIJNS-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356436348 1127669278 /nfs/dbraw/zinc/66/92/78/1127669278.db2.gz JSDUCTKVRGMBOG-UHFFFAOYSA-N 1 2 333.297 3.656 20 0 EHADLO CCCCc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000024152491 1127703002 /nfs/dbraw/zinc/70/30/02/1127703002.db2.gz RDIRZSCEQWRMOA-UHFFFAOYSA-N 1 2 343.496 3.655 20 0 EHADLO CCCCc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000024152491 1127703005 /nfs/dbraw/zinc/70/30/05/1127703005.db2.gz RDIRZSCEQWRMOA-UHFFFAOYSA-N 1 2 343.496 3.655 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)c1ccccc1F ZINC000765650539 1127720031 /nfs/dbraw/zinc/72/00/31/1127720031.db2.gz PWRXAQYHUZEOCU-UHFFFAOYSA-N 1 2 349.287 3.881 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000624288990 1127786224 /nfs/dbraw/zinc/78/62/24/1127786224.db2.gz BSIBREUNISDOAV-VCTAVGKDSA-N 1 2 340.254 3.909 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(C)o1 ZINC000028683514 1127790494 /nfs/dbraw/zinc/79/04/94/1127790494.db2.gz GARJKDOXTRXQOR-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(C)o1 ZINC000028683514 1127790495 /nfs/dbraw/zinc/79/04/95/1127790495.db2.gz GARJKDOXTRXQOR-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO O=C(NCCCSc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030654240 1127823358 /nfs/dbraw/zinc/82/33/58/1127823358.db2.gz RYUNXROXCIVMJY-UHFFFAOYSA-N 1 2 337.448 3.785 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000036705954 1127869226 /nfs/dbraw/zinc/86/92/26/1127869226.db2.gz FTUVILSGZIPFAC-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000036705954 1127869230 /nfs/dbraw/zinc/86/92/30/1127869230.db2.gz FTUVILSGZIPFAC-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CCC(F)(F)F ZINC000104677478 1127891192 /nfs/dbraw/zinc/89/11/92/1127891192.db2.gz ZLGYCTBZFYHMSU-CHWSQXEVSA-N 1 2 328.378 3.627 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CCC(F)(F)F ZINC000104677478 1127891195 /nfs/dbraw/zinc/89/11/95/1127891195.db2.gz ZLGYCTBZFYHMSU-CHWSQXEVSA-N 1 2 328.378 3.627 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)sc1C ZINC000265651861 1127914187 /nfs/dbraw/zinc/91/41/87/1127914187.db2.gz XPOZZLZOGTZIGB-UHFFFAOYSA-N 1 2 344.480 3.758 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044970847 1127943793 /nfs/dbraw/zinc/94/37/93/1127943793.db2.gz UHXSNEGPQBUPCW-CQSZACIVSA-N 1 2 325.437 3.826 20 0 EHADLO O=C(NCc1ccc(Cl)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045718590 1127958031 /nfs/dbraw/zinc/95/80/31/1127958031.db2.gz AJFACZOIDMMTKU-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617428 1127984243 /nfs/dbraw/zinc/98/42/43/1127984243.db2.gz FAHJENVYDAEQGI-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000047109017 1128001233 /nfs/dbraw/zinc/00/12/33/1128001233.db2.gz MUUIMAWCKZUEGB-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC001670905295 1128018145 /nfs/dbraw/zinc/01/81/45/1128018145.db2.gz YJWPBTMOMAGYNC-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO C[N@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168581123 1128036262 /nfs/dbraw/zinc/03/62/62/1128036262.db2.gz ZSCOOIAHGBDMCD-UWVGGRQHSA-N 1 2 346.340 3.514 20 0 EHADLO C[N@@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168581123 1128036264 /nfs/dbraw/zinc/03/62/64/1128036264.db2.gz ZSCOOIAHGBDMCD-UWVGGRQHSA-N 1 2 346.340 3.514 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000057373021 1128045870 /nfs/dbraw/zinc/04/58/70/1128045870.db2.gz WHIWAHKQPHOJLU-IBGZPJMESA-N 1 2 340.471 3.894 20 0 EHADLO Cc1ncccc1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000347531398 1128046263 /nfs/dbraw/zinc/04/62/63/1128046263.db2.gz LTZGSHBVQWHCDW-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO FC(F)(F)Cn1cc[nH+]c1Cn1c2ccccc2nc1C(F)(F)F ZINC000057747802 1128056263 /nfs/dbraw/zinc/05/62/63/1128056263.db2.gz PDNKWFSYKNWEBG-UHFFFAOYSA-N 1 2 348.250 3.862 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000282199791 1128062594 /nfs/dbraw/zinc/06/25/94/1128062594.db2.gz FQKPSWYXBRHVDZ-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO CCCCn1c(SCc2cccnc2)nnc1[C@H](CC)[NH+](C)C ZINC000058500699 1128070654 /nfs/dbraw/zinc/07/06/54/1128070654.db2.gz HCEYVTJSRVLWSN-HNNXBMFYSA-N 1 2 333.505 3.778 20 0 EHADLO FC(F)(F)CN1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058578414 1128072945 /nfs/dbraw/zinc/07/29/45/1128072945.db2.gz UNPAWXVPMFMUPE-UHFFFAOYSA-N 1 2 340.311 3.775 20 0 EHADLO FC(F)(F)CN1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058578414 1128072947 /nfs/dbraw/zinc/07/29/47/1128072947.db2.gz UNPAWXVPMFMUPE-UHFFFAOYSA-N 1 2 340.311 3.775 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000058658045 1128075788 /nfs/dbraw/zinc/07/57/88/1128075788.db2.gz KQLBTILPYLWFQP-UHFFFAOYSA-N 1 2 346.471 3.854 20 0 EHADLO O=C(CCSc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677081 1128112084 /nfs/dbraw/zinc/11/20/84/1128112084.db2.gz NKQBIQNSEOYEFZ-UHFFFAOYSA-N 1 2 346.521 3.575 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000060781886 1128113221 /nfs/dbraw/zinc/11/32/21/1128113221.db2.gz AXJQGDMQECQGGW-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO COc1ccc(C[N@H+](Cc2cn(C(C)C)nn2)C(C)(C)C)c(OC)c1 ZINC000347594500 1128126058 /nfs/dbraw/zinc/12/60/58/1128126058.db2.gz SXEDWCBGZKVGOR-UHFFFAOYSA-N 1 2 346.475 3.677 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cn(C(C)C)nn2)C(C)(C)C)c(OC)c1 ZINC000347594500 1128126059 /nfs/dbraw/zinc/12/60/59/1128126059.db2.gz SXEDWCBGZKVGOR-UHFFFAOYSA-N 1 2 346.475 3.677 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2Cl)nn1C ZINC000282249119 1128128167 /nfs/dbraw/zinc/12/81/67/1128128167.db2.gz QHHQAVIAKFMMHO-SNVBAGLBSA-N 1 2 342.668 3.995 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000347608234 1128135367 /nfs/dbraw/zinc/13/53/67/1128135367.db2.gz XNOBQWFPPOPDKF-CQSZACIVSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000347608234 1128135368 /nfs/dbraw/zinc/13/53/68/1128135368.db2.gz XNOBQWFPPOPDKF-CQSZACIVSA-N 1 2 327.384 3.921 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282256749 1128134189 /nfs/dbraw/zinc/13/41/89/1128134189.db2.gz UJCBKNXITPHYHK-OAHLLOKOSA-N 1 2 337.414 3.514 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000064634952 1128172086 /nfs/dbraw/zinc/17/20/86/1128172086.db2.gz YNTHPZVLAWKGDX-ZDUSSCGKSA-N 1 2 336.785 3.792 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000064634952 1128172087 /nfs/dbraw/zinc/17/20/87/1128172087.db2.gz YNTHPZVLAWKGDX-ZDUSSCGKSA-N 1 2 336.785 3.792 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000065426491 1128189338 /nfs/dbraw/zinc/18/93/38/1128189338.db2.gz BZMDAOGZWUTJKC-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000065426491 1128189340 /nfs/dbraw/zinc/18/93/40/1128189340.db2.gz BZMDAOGZWUTJKC-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3nccn3c1)CC2 ZINC001143021948 1128190249 /nfs/dbraw/zinc/19/02/49/1128190249.db2.gz IGVVXGXIWPNGDP-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3nccn3c1)CC2 ZINC001143021948 1128190251 /nfs/dbraw/zinc/19/02/51/1128190251.db2.gz IGVVXGXIWPNGDP-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Brc1cccc2c1CN(Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143021948 1128190254 /nfs/dbraw/zinc/19/02/54/1128190254.db2.gz IGVVXGXIWPNGDP-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657446 1128246009 /nfs/dbraw/zinc/24/60/09/1128246009.db2.gz KMHBVEIJWLTOFI-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000067826350 1128250615 /nfs/dbraw/zinc/25/06/15/1128250615.db2.gz ZUCFLMLTFLCNEO-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO Cc1cnc(-c2cccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)c2)o1 ZINC000066811281 1128227876 /nfs/dbraw/zinc/22/78/76/1128227876.db2.gz OOKFTCNWQHWQEW-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO CC(C)(C)C1CCC(c2cc(NC(=O)Cn3cc[nH+]c3)n[nH]2)CC1 ZINC000073798987 1128329268 /nfs/dbraw/zinc/32/92/68/1128329268.db2.gz JMLMYAVANGDUBE-UHFFFAOYSA-N 1 2 329.448 3.565 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1 ZINC000073871829 1128330145 /nfs/dbraw/zinc/33/01/45/1128330145.db2.gz TWYOOXQPRJPTBQ-WBMJQRKESA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1 ZINC000073871829 1128330150 /nfs/dbraw/zinc/33/01/50/1128330150.db2.gz TWYOOXQPRJPTBQ-WBMJQRKESA-N 1 2 329.396 3.947 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(-n3cccn3)cc2C)c[nH+]1 ZINC001670961723 1128390074 /nfs/dbraw/zinc/39/00/74/1128390074.db2.gz GFNNNJIUYYBYCV-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO CCc1cc(C(=O)N2CCn3c[nH+]cc3C2)sc1-c1ccccc1 ZINC000655092183 1128425661 /nfs/dbraw/zinc/42/56/61/1128425661.db2.gz BUXPDWQITRMNCU-UHFFFAOYSA-N 1 2 337.448 3.830 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)C1(C)C ZINC000765811368 1128427411 /nfs/dbraw/zinc/42/74/11/1128427411.db2.gz QNAJIQPNGUDLIS-KFKAGJAMSA-N 1 2 332.488 3.916 20 0 EHADLO CO[C@H](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C(F)(F)F ZINC000921655285 1128437540 /nfs/dbraw/zinc/43/75/40/1128437540.db2.gz QFZPBJVFKUHRPC-CYBMUJFWSA-N 1 2 341.333 3.599 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCc4n[nH]cc4[C@H]3C)cc2)[nH+]c1C ZINC000921667527 1128447261 /nfs/dbraw/zinc/44/72/61/1128447261.db2.gz IEGUHVPRMRADHQ-ZBEGNZNMSA-N 1 2 349.438 3.721 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCc4n[nH]cc4[C@@H]3C)cc2)[nH+]c1C ZINC000921667525 1128447298 /nfs/dbraw/zinc/44/72/98/1128447298.db2.gz IEGUHVPRMRADHQ-BZNIZROVSA-N 1 2 349.438 3.721 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000542717671 1128558727 /nfs/dbraw/zinc/55/87/27/1128558727.db2.gz NNONJVSWXGKZNP-FQEVSTJZSA-N 1 2 341.451 3.537 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000542717671 1128558730 /nfs/dbraw/zinc/55/87/30/1128558730.db2.gz NNONJVSWXGKZNP-FQEVSTJZSA-N 1 2 341.451 3.537 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000542702370 1128548402 /nfs/dbraw/zinc/54/84/02/1128548402.db2.gz YYNIGPNDVHVYSK-DGCLKSJQSA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000542702370 1128548405 /nfs/dbraw/zinc/54/84/05/1128548405.db2.gz YYNIGPNDVHVYSK-DGCLKSJQSA-N 1 2 335.341 3.766 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1 ZINC000056542298 1128562948 /nfs/dbraw/zinc/56/29/48/1128562948.db2.gz CYALKSANLFJXSB-UHFFFAOYSA-N 1 2 326.322 3.504 20 0 EHADLO CC(C)(C)c1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000107898999 1128571393 /nfs/dbraw/zinc/57/13/93/1128571393.db2.gz YFQIGAIPZQVASX-UHFFFAOYSA-N 1 2 349.862 3.816 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(-c2nccs2)c1 ZINC000056776331 1128583144 /nfs/dbraw/zinc/58/31/44/1128583144.db2.gz QNAMVUDDAHCOFQ-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000057372808 1128633507 /nfs/dbraw/zinc/63/35/07/1128633507.db2.gz DBKGGTRJGRPUAF-GOSISDBHSA-N 1 2 326.444 3.518 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000353790826 1128654616 /nfs/dbraw/zinc/65/46/16/1128654616.db2.gz JLWYSOLTCJAMFA-QGZVFWFLSA-N 1 2 343.477 3.640 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000353790826 1128654617 /nfs/dbraw/zinc/65/46/17/1128654617.db2.gz JLWYSOLTCJAMFA-QGZVFWFLSA-N 1 2 343.477 3.640 20 0 EHADLO CCC[C@](C)([NH2+]CCCOc1cccc2ccccc21)C(=O)OC ZINC000303500493 1128681038 /nfs/dbraw/zinc/68/10/38/1128681038.db2.gz UXNMMAGGOXKPQP-FQEVSTJZSA-N 1 2 329.440 3.930 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCSCC1 ZINC000303917456 1128707635 /nfs/dbraw/zinc/70/76/35/1128707635.db2.gz SURFTISBLJXCBX-UHFFFAOYSA-N 1 2 330.453 3.582 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1F ZINC000057833529 1128714737 /nfs/dbraw/zinc/71/47/37/1128714737.db2.gz GXIJUYYGDHSUKW-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CNC(=O)c1cccc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)c1 ZINC000072957215 1128745403 /nfs/dbraw/zinc/74/54/03/1128745403.db2.gz HSCLVLBQHBDSDS-UHFFFAOYSA-N 1 2 337.250 3.985 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)c1 ZINC000072957215 1128745405 /nfs/dbraw/zinc/74/54/05/1128745405.db2.gz HSCLVLBQHBDSDS-UHFFFAOYSA-N 1 2 337.250 3.985 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000265743961 1128746759 /nfs/dbraw/zinc/74/67/59/1128746759.db2.gz WGDHMLNYKKOJSC-CQSZACIVSA-N 1 2 338.411 3.876 20 0 EHADLO CC(C)CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000172650060 1128768145 /nfs/dbraw/zinc/76/81/45/1128768145.db2.gz NRASDALGNDUOHL-UHFFFAOYSA-N 1 2 332.492 3.648 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2cccs2)no1 ZINC000061779230 1128790643 /nfs/dbraw/zinc/79/06/43/1128790643.db2.gz RLHWNPBIEXRTIL-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2cccs2)no1 ZINC000061779230 1128790646 /nfs/dbraw/zinc/79/06/46/1128790646.db2.gz RLHWNPBIEXRTIL-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338742068 1128813573 /nfs/dbraw/zinc/81/35/73/1128813573.db2.gz HIPKMMMOZBPTTI-CVEARBPZSA-N 1 2 329.831 3.573 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155403 1128821258 /nfs/dbraw/zinc/82/12/58/1128821258.db2.gz XLVXPYCAOVJGOX-OAHLLOKOSA-N 1 2 339.464 3.552 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000656260137 1128840800 /nfs/dbraw/zinc/84/08/00/1128840800.db2.gz RZMGDZCHHCZWCA-HXUWFJFHSA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000656260137 1128840805 /nfs/dbraw/zinc/84/08/05/1128840805.db2.gz RZMGDZCHHCZWCA-HXUWFJFHSA-N 1 2 335.455 3.939 20 0 EHADLO CC[N@H+](Cc1cn2c(cccc2Br)n1)Cc1cccnc1 ZINC001143080138 1128841476 /nfs/dbraw/zinc/84/14/76/1128841476.db2.gz VQUWRFVNCNGIFW-UHFFFAOYSA-N 1 2 345.244 3.514 20 0 EHADLO CC[N@@H+](Cc1cn2c(cccc2Br)n1)Cc1cccnc1 ZINC001143080138 1128841480 /nfs/dbraw/zinc/84/14/80/1128841480.db2.gz VQUWRFVNCNGIFW-UHFFFAOYSA-N 1 2 345.244 3.514 20 0 EHADLO OCc1cc[nH+]c(NCc2cccc(Br)c2Cl)c1 ZINC001651238993 1120056719 /nfs/dbraw/zinc/05/67/19/1120056719.db2.gz ACJWQTRLHMBXMW-UHFFFAOYSA-N 1 2 327.609 3.602 20 0 EHADLO C[C@H](CN(C)C(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC001670377832 1120066374 /nfs/dbraw/zinc/06/63/74/1120066374.db2.gz UFAKDHWVAYLFBL-OAHLLOKOSA-N 1 2 328.460 3.692 20 0 EHADLO CCC(CC)(CC)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001670416252 1120071141 /nfs/dbraw/zinc/07/11/41/1120071141.db2.gz GOSIUBQAVZVMSR-UHFFFAOYSA-N 1 2 337.533 3.792 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncoc1-c1ccccc1 ZINC000112045077 1128901958 /nfs/dbraw/zinc/90/19/58/1128901958.db2.gz XIYJPHPFVHJLLD-UHFFFAOYSA-N 1 2 330.347 3.984 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)Nc1ccc(Cl)cc1 ZINC000531350607 1120307312 /nfs/dbraw/zinc/30/73/12/1120307312.db2.gz MSJUBWSXQQCCCY-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CCC[C@H]1CCCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001687423728 1120336026 /nfs/dbraw/zinc/33/60/26/1120336026.db2.gz DSXCBCOIYAHVQC-HKUYNNGSSA-N 1 2 340.471 3.846 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000355377507 1128912124 /nfs/dbraw/zinc/91/21/24/1128912124.db2.gz QACKJQLHULADGI-UHFFFAOYSA-N 1 2 333.435 3.880 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000355377507 1128912125 /nfs/dbraw/zinc/91/21/25/1128912125.db2.gz QACKJQLHULADGI-UHFFFAOYSA-N 1 2 333.435 3.880 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccccc1 ZINC000185175809 1120402534 /nfs/dbraw/zinc/40/25/34/1120402534.db2.gz FFBHSHRVTFPRSU-HXUWFJFHSA-N 1 2 343.398 3.609 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccccc1 ZINC000185175809 1120402536 /nfs/dbraw/zinc/40/25/36/1120402536.db2.gz FFBHSHRVTFPRSU-HXUWFJFHSA-N 1 2 343.398 3.609 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185647987 1120423675 /nfs/dbraw/zinc/42/36/75/1120423675.db2.gz OOJUOTYHCNMYHV-OAHLLOKOSA-N 1 2 338.224 3.957 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185647987 1120423680 /nfs/dbraw/zinc/42/36/80/1120423680.db2.gz OOJUOTYHCNMYHV-OAHLLOKOSA-N 1 2 338.224 3.957 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000186268419 1120451791 /nfs/dbraw/zinc/45/17/91/1120451791.db2.gz NRDDNZILSAYLDM-FXAWDEMLSA-N 1 2 329.488 3.760 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000494529936 1120584147 /nfs/dbraw/zinc/58/41/47/1120584147.db2.gz SXNUYIRUVDTBNR-UHFFFAOYSA-N 1 2 342.786 3.753 20 0 EHADLO Cc1ccc(Nc2nc(CSc3nc(N)cc(C)[nH+]3)cs2)cc1 ZINC000494553910 1120600667 /nfs/dbraw/zinc/60/06/67/1120600667.db2.gz RIXYPAAXKZUEOA-UHFFFAOYSA-N 1 2 343.481 3.998 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1nc(Cc2ccccc2)no1 ZINC000191595465 1120680973 /nfs/dbraw/zinc/68/09/73/1120680973.db2.gz POWLNFKUXWWICY-AWEZNQCLSA-N 1 2 332.407 3.993 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000153108331 1120688509 /nfs/dbraw/zinc/68/85/09/1120688509.db2.gz UJUXTIJHAGJFGI-ZDUSSCGKSA-N 1 2 349.529 3.568 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000153108331 1120688510 /nfs/dbraw/zinc/68/85/10/1120688510.db2.gz UJUXTIJHAGJFGI-ZDUSSCGKSA-N 1 2 349.529 3.568 20 0 EHADLO c1cc(N[C@H]2[C@H]3CCO[C@H]3C23CCCC3)[nH+]cc1N1CCCCC1 ZINC000494615116 1120690766 /nfs/dbraw/zinc/69/07/66/1120690766.db2.gz VPGCTPJEVUCQQZ-NZSAHSFTSA-N 1 2 327.472 3.832 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2ncsc2c1 ZINC000192255909 1120728125 /nfs/dbraw/zinc/72/81/25/1120728125.db2.gz XDZKBFNOFOCZHH-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000152597702 1120743219 /nfs/dbraw/zinc/74/32/19/1120743219.db2.gz SJEYNXCPOHRLIB-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000152597702 1120743221 /nfs/dbraw/zinc/74/32/21/1120743221.db2.gz SJEYNXCPOHRLIB-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO O=C(c1ccsc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613425128 1120744070 /nfs/dbraw/zinc/74/40/70/1120744070.db2.gz WWAVVBHFTPSXPN-UHFFFAOYSA-N 1 2 337.876 3.931 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc(C)ncn2)c2ccc(F)cc2)cc1 ZINC000494746146 1120761723 /nfs/dbraw/zinc/76/17/23/1120761723.db2.gz LHIXZQLLLYAONC-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO O=C(Cc1ccc(Cl)s1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193386931 1120774396 /nfs/dbraw/zinc/77/43/96/1120774396.db2.gz GSZHOCFOICSULG-UHFFFAOYSA-N 1 2 345.855 3.505 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000653897112 1120790670 /nfs/dbraw/zinc/79/06/70/1120790670.db2.gz IOJTYGRMOLYCEI-GFCCVEGCSA-N 1 2 336.888 3.733 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000653897112 1120790673 /nfs/dbraw/zinc/79/06/73/1120790673.db2.gz IOJTYGRMOLYCEI-GFCCVEGCSA-N 1 2 336.888 3.733 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193971299 1120812803 /nfs/dbraw/zinc/81/28/03/1120812803.db2.gz NNBQXLRZFPVLDY-QFBILLFUSA-N 1 2 340.471 3.652 20 0 EHADLO O=C(C[NH+]1CCC(COc2ccccc2)CC1)Nc1ccccc1F ZINC000194006728 1120816160 /nfs/dbraw/zinc/81/61/60/1120816160.db2.gz DHETUGDWPHAEDK-UHFFFAOYSA-N 1 2 342.414 3.555 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000914572863 1120900984 /nfs/dbraw/zinc/90/09/84/1120900984.db2.gz JLMTWJZLZYRIHL-DGCLKSJQSA-N 1 2 329.469 3.706 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000914572863 1120900986 /nfs/dbraw/zinc/90/09/86/1120900986.db2.gz JLMTWJZLZYRIHL-DGCLKSJQSA-N 1 2 329.469 3.706 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)c1c(C)nn(C)c1C ZINC000542526148 1120912732 /nfs/dbraw/zinc/91/27/32/1120912732.db2.gz CIJCKNFJBLQFBY-INIZCTEOSA-N 1 2 339.443 3.636 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)o1 ZINC000495070557 1120944357 /nfs/dbraw/zinc/94/43/57/1120944357.db2.gz YRUCQQIWHWYITO-LLVKDONJSA-N 1 2 332.404 3.576 20 0 EHADLO Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000053456186 1121000227 /nfs/dbraw/zinc/00/02/27/1121000227.db2.gz CMYOSGLFHMOWLF-UHFFFAOYSA-N 1 2 340.254 3.608 20 0 EHADLO Cc1ccc(C)c(C[N@H+](C)Cn2c(-c3ccccn3)csc2=O)c1 ZINC000762049751 1121067194 /nfs/dbraw/zinc/06/71/94/1121067194.db2.gz HMCOYPIESJXTRT-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO Cc1ccc(C)c(C[N@@H+](C)Cn2c(-c3ccccn3)csc2=O)c1 ZINC000762049751 1121067203 /nfs/dbraw/zinc/06/72/03/1121067203.db2.gz HMCOYPIESJXTRT-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO CC(C)(C)OC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000302763635 1121101886 /nfs/dbraw/zinc/10/18/86/1121101886.db2.gz YAPFLHYLFKUONQ-UHFFFAOYSA-N 1 2 332.469 3.817 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1csc(C(C)(C)C)n1 ZINC000303090786 1121121170 /nfs/dbraw/zinc/12/11/70/1121121170.db2.gz BPMAFFHKDQOYSO-GFCCVEGCSA-N 1 2 344.484 3.631 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000303454446 1121148994 /nfs/dbraw/zinc/14/89/94/1121148994.db2.gz FSUWHWVXKCVCCQ-INIZCTEOSA-N 1 2 338.854 3.750 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000303454446 1121148997 /nfs/dbraw/zinc/14/89/97/1121148997.db2.gz FSUWHWVXKCVCCQ-INIZCTEOSA-N 1 2 338.854 3.750 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)NCC2CC2)c2ccccc2Cl)cc1 ZINC000495373688 1121151677 /nfs/dbraw/zinc/15/16/77/1121151677.db2.gz HHLOCADCIKEFGI-HXUWFJFHSA-N 1 2 342.870 3.854 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303578068 1121161329 /nfs/dbraw/zinc/16/13/29/1121161329.db2.gz ZRVFPTKPNYUNMM-MRXNPFEDSA-N 1 2 340.870 3.996 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303578068 1121161330 /nfs/dbraw/zinc/16/13/30/1121161330.db2.gz ZRVFPTKPNYUNMM-MRXNPFEDSA-N 1 2 340.870 3.996 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000303640989 1121168896 /nfs/dbraw/zinc/16/88/96/1121168896.db2.gz QYIBVXBOGDGWOD-LZLYRXPVSA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000303640989 1121168899 /nfs/dbraw/zinc/16/88/99/1121168899.db2.gz QYIBVXBOGDGWOD-LZLYRXPVSA-N 1 2 332.488 3.601 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(CC(C)C)CC(C)(C)C)c1C ZINC000762274644 1121225315 /nfs/dbraw/zinc/22/53/15/1121225315.db2.gz XKRRYBNBTCFQOD-UHFFFAOYSA-N 1 2 335.492 3.921 20 0 EHADLO CN(C)c1cc(COc2cc(Cl)cnc2Br)cc[nH+]1 ZINC000762477489 1121320153 /nfs/dbraw/zinc/32/01/53/1121320153.db2.gz NMMGUDNWGYSJLM-UHFFFAOYSA-N 1 2 342.624 3.538 20 0 EHADLO CCCCn1c(S[C@@H](C)c2ncccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000915471435 1121422493 /nfs/dbraw/zinc/42/24/93/1121422493.db2.gz JKQKKFGDDISAFI-UONOGXRCSA-N 1 2 348.520 3.734 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000171723213 1121514502 /nfs/dbraw/zinc/51/45/02/1121514502.db2.gz QLXHTMDYIPENQH-MRXNPFEDSA-N 1 2 339.439 3.606 20 0 EHADLO CC[N@H+](Cc1cccc(Br)c1)Cc1ncc(Cl)cn1 ZINC001235415543 1121542923 /nfs/dbraw/zinc/54/29/23/1121542923.db2.gz WRAQUOPQWMGWNS-UHFFFAOYSA-N 1 2 340.652 3.915 20 0 EHADLO CC[N@@H+](Cc1cccc(Br)c1)Cc1ncc(Cl)cn1 ZINC001235415543 1121542930 /nfs/dbraw/zinc/54/29/30/1121542930.db2.gz WRAQUOPQWMGWNS-UHFFFAOYSA-N 1 2 340.652 3.915 20 0 EHADLO Cc1nc(C[N@@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)oc1C ZINC000495943760 1121581677 /nfs/dbraw/zinc/58/16/77/1121581677.db2.gz BEVITYKSNBWZIK-UHFFFAOYSA-N 1 2 349.475 3.561 20 0 EHADLO Cc1nc(C[N@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)oc1C ZINC000495943760 1121581683 /nfs/dbraw/zinc/58/16/83/1121581683.db2.gz BEVITYKSNBWZIK-UHFFFAOYSA-N 1 2 349.475 3.561 20 0 EHADLO C[C@H](Cc1cccc(F)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001168498939 1121627859 /nfs/dbraw/zinc/62/78/59/1121627859.db2.gz ACAVJXVVRJDWFX-PBHICJAKSA-N 1 2 326.406 3.562 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)c1 ZINC000054192678 1121740027 /nfs/dbraw/zinc/74/00/27/1121740027.db2.gz VTJDMKQDGSOZJP-UHFFFAOYSA-N 1 2 342.508 3.642 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000356787853 1129006219 /nfs/dbraw/zinc/00/62/19/1129006219.db2.gz YSIQRZKGXJPSFI-UHFFFAOYSA-N 1 2 345.874 3.883 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000055052419 1121792596 /nfs/dbraw/zinc/79/25/96/1121792596.db2.gz XDEYYNRPKKMASY-AWEZNQCLSA-N 1 2 344.480 3.937 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000055052419 1121792600 /nfs/dbraw/zinc/79/26/00/1121792600.db2.gz XDEYYNRPKKMASY-AWEZNQCLSA-N 1 2 344.480 3.937 20 0 EHADLO c1coc(-c2nc(CN3CC[NH+](Cc4ccsc4)CC3)cs2)c1 ZINC000055472858 1121831765 /nfs/dbraw/zinc/83/17/65/1121831765.db2.gz IXZAZSRZPCUFNH-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1nc(Cl)ccc1Cl ZINC000055696225 1121857890 /nfs/dbraw/zinc/85/78/90/1121857890.db2.gz WEXVSFKKQSTTQA-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000763293484 1121946744 /nfs/dbraw/zinc/94/67/44/1121946744.db2.gz IGAAXSYZNOJFFH-UHFFFAOYSA-N 1 2 347.827 3.907 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763332914 1121962072 /nfs/dbraw/zinc/96/20/72/1121962072.db2.gz PPTYADHLJIBSSQ-ZDUSSCGKSA-N 1 2 331.441 3.571 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763332914 1121962082 /nfs/dbraw/zinc/96/20/82/1121962082.db2.gz PPTYADHLJIBSSQ-ZDUSSCGKSA-N 1 2 331.441 3.571 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763333325 1121966372 /nfs/dbraw/zinc/96/63/72/1121966372.db2.gz RWDUTSOGWHAZMO-CQSZACIVSA-N 1 2 345.468 3.961 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=S)o1 ZINC000763333325 1121966380 /nfs/dbraw/zinc/96/63/80/1121966380.db2.gz RWDUTSOGWHAZMO-CQSZACIVSA-N 1 2 345.468 3.961 20 0 EHADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2cocn2)CC1 ZINC000496481700 1122096736 /nfs/dbraw/zinc/09/67/36/1122096736.db2.gz QUSSPTZVSXERAT-INIZCTEOSA-N 1 2 349.475 3.532 20 0 EHADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000496659415 1122144003 /nfs/dbraw/zinc/14/40/03/1122144003.db2.gz HLGIIQDHDHJFRC-CYBMUJFWSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000496659415 1122144005 /nfs/dbraw/zinc/14/40/05/1122144005.db2.gz HLGIIQDHDHJFRC-CYBMUJFWSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1cc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000496891280 1122200799 /nfs/dbraw/zinc/20/07/99/1122200799.db2.gz HNIGAMDUIPUWDK-HUUCEWRRSA-N 1 2 348.491 3.648 20 0 EHADLO Cc1cc(C)c(NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)c(C)[nH+]1 ZINC000496893137 1122201658 /nfs/dbraw/zinc/20/16/58/1122201658.db2.gz RQEXKIPBGYNITA-UHFFFAOYSA-N 1 2 347.459 3.735 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cn(-c2ccccc2)nn1 ZINC000154074412 1122210292 /nfs/dbraw/zinc/21/02/92/1122210292.db2.gz RUROPIRFBDGHIW-ZDUSSCGKSA-N 1 2 339.468 3.842 20 0 EHADLO O=C(/C=C\c1cccc(F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000916608094 1122213826 /nfs/dbraw/zinc/21/38/26/1122213826.db2.gz PTBLVHDWANBHHW-FPLPWBNLSA-N 1 2 345.443 3.920 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000123615826 1122259069 /nfs/dbraw/zinc/25/90/69/1122259069.db2.gz WHDDCZIOBGUKCB-HNNXBMFYSA-N 1 2 327.428 3.939 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000255197868 1129042172 /nfs/dbraw/zinc/04/21/72/1129042172.db2.gz IDXSDWSGBSAGAK-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000255197868 1129042174 /nfs/dbraw/zinc/04/21/74/1129042174.db2.gz IDXSDWSGBSAGAK-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(OCCC(C)C)c1 ZINC000125462293 1122316918 /nfs/dbraw/zinc/31/69/18/1122316918.db2.gz WEEVXGVLSXICIO-HXUWFJFHSA-N 1 2 340.467 3.736 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000497161002 1122351016 /nfs/dbraw/zinc/35/10/16/1122351016.db2.gz KQLLGJIQQYHMCM-MRXNPFEDSA-N 1 2 349.272 3.854 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000497161002 1122351021 /nfs/dbraw/zinc/35/10/21/1122351021.db2.gz KQLLGJIQQYHMCM-MRXNPFEDSA-N 1 2 349.272 3.854 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000127065467 1122459949 /nfs/dbraw/zinc/45/99/49/1122459949.db2.gz XBVAVBSSXIJAGM-BETUJISGSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000127065467 1122459954 /nfs/dbraw/zinc/45/99/54/1122459954.db2.gz XBVAVBSSXIJAGM-BETUJISGSA-N 1 2 347.377 3.636 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000127246207 1122472415 /nfs/dbraw/zinc/47/24/15/1122472415.db2.gz BNWFWOLONDFDIX-DLBZAZTESA-N 1 2 348.393 3.604 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000127246207 1122472420 /nfs/dbraw/zinc/47/24/20/1122472420.db2.gz BNWFWOLONDFDIX-DLBZAZTESA-N 1 2 348.393 3.604 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000917105361 1122503848 /nfs/dbraw/zinc/50/38/48/1122503848.db2.gz BLENPCZBUACZAP-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000917105361 1122503850 /nfs/dbraw/zinc/50/38/50/1122503850.db2.gz BLENPCZBUACZAP-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000128111199 1122529834 /nfs/dbraw/zinc/52/98/34/1122529834.db2.gz GCGNLSXCERMFOL-MRXNPFEDSA-N 1 2 333.435 3.544 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000128111199 1122529837 /nfs/dbraw/zinc/52/98/37/1122529837.db2.gz GCGNLSXCERMFOL-MRXNPFEDSA-N 1 2 333.435 3.544 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C=C(CC)CC)[C@@H](C)C1 ZINC001128305723 1129061236 /nfs/dbraw/zinc/06/12/36/1129061236.db2.gz ZYDOQKNWYKDZQV-KRWDZBQOSA-N 1 2 344.499 3.864 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C=C(CC)CC)[C@@H](C)C1 ZINC001128305723 1129061239 /nfs/dbraw/zinc/06/12/39/1129061239.db2.gz ZYDOQKNWYKDZQV-KRWDZBQOSA-N 1 2 344.499 3.864 20 0 EHADLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3ccccc3c2O)cn1 ZINC000917187974 1122547222 /nfs/dbraw/zinc/54/72/22/1122547222.db2.gz SHXLOUIZJYTJMC-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc21)Cc1ccccc1Cl ZINC000672757200 1129063378 /nfs/dbraw/zinc/06/33/78/1129063378.db2.gz GHIOLJJJYNWRIM-KRWDZBQOSA-N 1 2 342.870 3.618 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc21)Cc1ccccc1Cl ZINC000672757200 1129063381 /nfs/dbraw/zinc/06/33/81/1129063381.db2.gz GHIOLJJJYNWRIM-KRWDZBQOSA-N 1 2 342.870 3.618 20 0 EHADLO O=C(/C=C\c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033295870 1122583764 /nfs/dbraw/zinc/58/37/64/1122583764.db2.gz FSYSSVWBDAYUEO-QSYVVUFSSA-N 1 2 332.447 3.557 20 0 EHADLO CC1CCC([N@H+](Cn2nc(-c3cccs3)oc2=O)C2CC2)CC1 ZINC000917437911 1122602574 /nfs/dbraw/zinc/60/25/74/1122602574.db2.gz OPJJKRFGDFMNDA-UHFFFAOYSA-N 1 2 333.457 3.565 20 0 EHADLO CC1CCC([N@@H+](Cn2nc(-c3cccs3)oc2=O)C2CC2)CC1 ZINC000917437911 1122602577 /nfs/dbraw/zinc/60/25/77/1122602577.db2.gz OPJJKRFGDFMNDA-UHFFFAOYSA-N 1 2 333.457 3.565 20 0 EHADLO COc1ccccc1Cc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923756870 1122666250 /nfs/dbraw/zinc/66/62/50/1122666250.db2.gz NLVFPGNMFXRSSA-OAHLLOKOSA-N 1 2 326.400 3.501 20 0 EHADLO CCc1nc(C[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)no1 ZINC000128805005 1122672041 /nfs/dbraw/zinc/67/20/41/1122672041.db2.gz XJEPNVGPSNKRLT-UHFFFAOYSA-N 1 2 343.427 3.696 20 0 EHADLO CCc1nc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)no1 ZINC000128805005 1122672043 /nfs/dbraw/zinc/67/20/43/1122672043.db2.gz XJEPNVGPSNKRLT-UHFFFAOYSA-N 1 2 343.427 3.696 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1c(C)n[nH]c1C ZINC000128897531 1122689803 /nfs/dbraw/zinc/68/98/03/1122689803.db2.gz JBLHPEGYPUQORC-UHFFFAOYSA-N 1 2 348.248 3.771 20 0 EHADLO O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000129522389 1122794059 /nfs/dbraw/zinc/79/40/59/1122794059.db2.gz WLAMITXACBUKTA-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000556112876 1122820196 /nfs/dbraw/zinc/82/01/96/1122820196.db2.gz BCDQQEKEDFXXRV-IBGZPJMESA-N 1 2 338.430 3.909 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000556112876 1122820199 /nfs/dbraw/zinc/82/01/99/1122820199.db2.gz BCDQQEKEDFXXRV-IBGZPJMESA-N 1 2 338.430 3.909 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000556236129 1122887670 /nfs/dbraw/zinc/88/76/70/1122887670.db2.gz NSEFTBPVQLZPED-UHFFFAOYSA-N 1 2 346.390 3.640 20 0 EHADLO CC(C)(C)c1ccc(/C=C\C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918706740 1122890922 /nfs/dbraw/zinc/89/09/22/1122890922.db2.gz WYFRIEUHQNHAGC-FLIBITNWSA-N 1 2 325.456 3.790 20 0 EHADLO C[N@H+](C[C@H]1CCCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000918731576 1122900160 /nfs/dbraw/zinc/90/01/60/1122900160.db2.gz DUWAUWBCJLTPLR-QGZVFWFLSA-N 1 2 331.485 3.526 20 0 EHADLO C[N@@H+](C[C@H]1CCCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000918731576 1122900164 /nfs/dbraw/zinc/90/01/64/1122900164.db2.gz DUWAUWBCJLTPLR-QGZVFWFLSA-N 1 2 331.485 3.526 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483414 1122939630 /nfs/dbraw/zinc/93/96/30/1122939630.db2.gz JUEUQMCFXNGNNP-BBRMVZONSA-N 1 2 340.870 3.852 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483414 1122939634 /nfs/dbraw/zinc/93/96/34/1122939634.db2.gz JUEUQMCFXNGNNP-BBRMVZONSA-N 1 2 340.870 3.852 20 0 EHADLO Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)nc(-c2ccncc2)n1 ZINC000077982099 1129088211 /nfs/dbraw/zinc/08/82/11/1129088211.db2.gz YMTFKVTVEMNDLD-UHFFFAOYSA-N 1 2 329.363 3.825 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3scnc3C3CC3)ccc21 ZINC000556361533 1122947851 /nfs/dbraw/zinc/94/78/51/1122947851.db2.gz DKLCCPDVCZBVGD-UHFFFAOYSA-N 1 2 338.436 3.887 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000130612966 1122974209 /nfs/dbraw/zinc/97/42/09/1122974209.db2.gz LXUUMSOOMMQXNT-YWZLYKJASA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000130612966 1122974213 /nfs/dbraw/zinc/97/42/13/1122974213.db2.gz LXUUMSOOMMQXNT-YWZLYKJASA-N 1 2 327.424 3.666 20 0 EHADLO O=C1[C@H]([NH+]2CCC(CC(F)(F)F)CC2)CCN1c1ccccc1F ZINC000556506906 1123004940 /nfs/dbraw/zinc/00/49/40/1123004940.db2.gz XSKDZBTWJZVDBT-OAHLLOKOSA-N 1 2 344.352 3.595 20 0 EHADLO CCC(CC)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152622375 1123040603 /nfs/dbraw/zinc/04/06/03/1123040603.db2.gz UXWKSNDJLAAZIN-GOSISDBHSA-N 1 2 337.467 3.535 20 0 EHADLO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Cl)c(F)c1 ZINC000556622150 1123064252 /nfs/dbraw/zinc/06/42/52/1123064252.db2.gz KYPZEHWMXMTEJP-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Cl)c(F)c1 ZINC000556622150 1123064254 /nfs/dbraw/zinc/06/42/54/1123064254.db2.gz KYPZEHWMXMTEJP-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000919502503 1123071709 /nfs/dbraw/zinc/07/17/09/1123071709.db2.gz ZRSWOYWUJNDTOF-UHWGBUKQSA-N 1 2 338.476 3.619 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000445219973 1123077899 /nfs/dbraw/zinc/07/78/99/1123077899.db2.gz TVQPQGKEYPZQMK-DAWZGUTISA-N 1 2 346.519 3.772 20 0 EHADLO C[C@@H](C1CC1)n1nccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000072615369 1123129443 /nfs/dbraw/zinc/12/94/43/1123129443.db2.gz AWFUMRKKVOWRQX-ULYATVDSSA-N 1 2 347.422 3.692 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674482 1123140641 /nfs/dbraw/zinc/14/06/41/1123140641.db2.gz WBRANZGDSSHQOU-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000556842863 1123146921 /nfs/dbraw/zinc/14/69/21/1123146921.db2.gz SOSICLBXAGATLY-UNEWFSDZSA-N 1 2 346.862 3.561 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000072801876 1123160220 /nfs/dbraw/zinc/16/02/20/1123160220.db2.gz UFBOGNHPSOMRHI-LBPRGKRZSA-N 1 2 344.377 3.687 20 0 EHADLO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763443395 1123173287 /nfs/dbraw/zinc/17/32/87/1123173287.db2.gz WFLQUWJVDAHLLN-RBUKOAKNSA-N 1 2 343.467 3.902 20 0 EHADLO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763443395 1123173288 /nfs/dbraw/zinc/17/32/88/1123173288.db2.gz WFLQUWJVDAHLLN-RBUKOAKNSA-N 1 2 343.467 3.902 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(Oc3ccccc3)nn1)CC2 ZINC000499055775 1123176865 /nfs/dbraw/zinc/17/68/65/1123176865.db2.gz XVBLZCGMGRKVER-UHFFFAOYSA-N 1 2 347.418 3.836 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(Oc3ccccc3)nn1)CC2 ZINC000499055775 1123176867 /nfs/dbraw/zinc/17/68/67/1123176867.db2.gz XVBLZCGMGRKVER-UHFFFAOYSA-N 1 2 347.418 3.836 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168701665 1129103815 /nfs/dbraw/zinc/10/38/15/1129103815.db2.gz SLVGBEQLHQWZIY-LPHOPBHVSA-N 1 2 343.854 3.571 20 0 EHADLO CCc1ncsc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000132295445 1123216441 /nfs/dbraw/zinc/21/64/41/1123216441.db2.gz GKTWIURATAJGTM-UHFFFAOYSA-N 1 2 346.481 3.534 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000132465327 1123232518 /nfs/dbraw/zinc/23/25/18/1123232518.db2.gz AWTNJCYQRZNRBL-HKUYNNGSSA-N 1 2 343.515 3.973 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc1OC(F)F ZINC000556967529 1123242965 /nfs/dbraw/zinc/24/29/65/1123242965.db2.gz NPDDNGHGKHRMFM-CQSZACIVSA-N 1 2 329.362 3.818 20 0 EHADLO Fc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1OC(F)F ZINC000556967529 1123242971 /nfs/dbraw/zinc/24/29/71/1123242971.db2.gz NPDDNGHGKHRMFM-CQSZACIVSA-N 1 2 329.362 3.818 20 0 EHADLO C[C@H](COc1ccccc1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000920085555 1123288007 /nfs/dbraw/zinc/28/80/07/1123288007.db2.gz JTVXIHZSXDNNCR-OAHLLOKOSA-N 1 2 345.406 3.695 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2ccsc2C1 ZINC000132748328 1123295228 /nfs/dbraw/zinc/29/52/28/1123295228.db2.gz PZDCKLXSGUEZKN-CYBMUJFWSA-N 1 2 344.505 3.634 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2ccsc2C1 ZINC000132748328 1123295232 /nfs/dbraw/zinc/29/52/32/1123295232.db2.gz PZDCKLXSGUEZKN-CYBMUJFWSA-N 1 2 344.505 3.634 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000499255183 1123304415 /nfs/dbraw/zinc/30/44/15/1123304415.db2.gz XHLCRVSMCXJOPY-SFHVURJKSA-N 1 2 327.472 3.898 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000499255183 1123304419 /nfs/dbraw/zinc/30/44/19/1123304419.db2.gz XHLCRVSMCXJOPY-SFHVURJKSA-N 1 2 327.472 3.898 20 0 EHADLO COCC[N@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000921047794 1123458709 /nfs/dbraw/zinc/45/87/09/1123458709.db2.gz DWXWRWGTXNPKFU-UHFFFAOYSA-N 1 2 336.404 3.987 20 0 EHADLO COCC[N@@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000921047794 1123458711 /nfs/dbraw/zinc/45/87/11/1123458711.db2.gz DWXWRWGTXNPKFU-UHFFFAOYSA-N 1 2 336.404 3.987 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000921201144 1123478472 /nfs/dbraw/zinc/47/84/72/1123478472.db2.gz MVAAOPQCEHDIHZ-LJQANCHMSA-N 1 2 332.407 3.529 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cn1cc(Br)cn1 ZINC000921186146 1123480012 /nfs/dbraw/zinc/48/00/12/1123480012.db2.gz ISPUMHSQVARGAL-UHFFFAOYSA-N 1 2 336.258 3.950 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cn1cc(Br)cn1 ZINC000921186146 1123480016 /nfs/dbraw/zinc/48/00/16/1123480016.db2.gz ISPUMHSQVARGAL-UHFFFAOYSA-N 1 2 336.258 3.950 20 0 EHADLO CSc1cccc(F)c1C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000922121348 1129127737 /nfs/dbraw/zinc/12/77/37/1129127737.db2.gz FFXXPMKEFBZEJJ-UHFFFAOYSA-N 1 2 348.472 3.694 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3cccc4cccnc43)[nH+]c12 ZINC000134650658 1123540463 /nfs/dbraw/zinc/54/04/63/1123540463.db2.gz RCMHAWNGJFORJG-XMMPIXPASA-N 1 2 335.432 3.640 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000135047904 1123577035 /nfs/dbraw/zinc/57/70/35/1123577035.db2.gz KRDOXBJPLCPJIV-SFHVURJKSA-N 1 2 336.414 3.958 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000135047904 1123577041 /nfs/dbraw/zinc/57/70/41/1123577041.db2.gz KRDOXBJPLCPJIV-SFHVURJKSA-N 1 2 336.414 3.958 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000350463791 1123661145 /nfs/dbraw/zinc/66/11/45/1123661145.db2.gz WCUWHXNJDBFHMH-UHFFFAOYSA-N 1 2 347.831 3.519 20 0 EHADLO CCOC(=O)CCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000609798510 1123664576 /nfs/dbraw/zinc/66/45/76/1123664576.db2.gz LNKWZLCFPXEKLP-HNNXBMFYSA-N 1 2 335.448 3.598 20 0 EHADLO CCOC(=O)CCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000609798510 1123664579 /nfs/dbraw/zinc/66/45/79/1123664579.db2.gz LNKWZLCFPXEKLP-HNNXBMFYSA-N 1 2 335.448 3.598 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H](c2ccccc2)O1 ZINC000067873888 1123765987 /nfs/dbraw/zinc/76/59/87/1123765987.db2.gz UXBJFWQZIWRPAN-BFUOFWGJSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H](c2ccccc2)O1 ZINC000067873888 1123765989 /nfs/dbraw/zinc/76/59/89/1123765989.db2.gz UXBJFWQZIWRPAN-BFUOFWGJSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000138074743 1123813371 /nfs/dbraw/zinc/81/33/71/1123813371.db2.gz KJPCAAPTRIJNOX-LBPRGKRZSA-N 1 2 327.334 3.893 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000245465310 1123840299 /nfs/dbraw/zinc/84/02/99/1123840299.db2.gz YHJILFHKWPEQRS-GOEBONIOSA-N 1 2 328.412 3.700 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000245465310 1123840302 /nfs/dbraw/zinc/84/03/02/1123840302.db2.gz YHJILFHKWPEQRS-GOEBONIOSA-N 1 2 328.412 3.700 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000081581483 1123850812 /nfs/dbraw/zinc/85/08/12/1123850812.db2.gz QOCPZYRWQKRRMI-AVYPCKFXSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000081581483 1123850816 /nfs/dbraw/zinc/85/08/16/1123850816.db2.gz QOCPZYRWQKRRMI-AVYPCKFXSA-N 1 2 336.435 3.909 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000245517351 1123858444 /nfs/dbraw/zinc/85/84/44/1123858444.db2.gz RKPBEHMEPBCKFK-GUDVDZBRSA-N 1 2 343.515 3.749 20 0 EHADLO CC(C)OCC[NH+]1CCN(CCCc2cccc3ccccc32)CC1 ZINC000081637716 1123865979 /nfs/dbraw/zinc/86/59/79/1123865979.db2.gz YFAJHVYIIVWIBI-UHFFFAOYSA-N 1 2 340.511 3.815 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000615802340 1123877590 /nfs/dbraw/zinc/87/75/90/1123877590.db2.gz HNYZTZBQXVMTRQ-LSTHTHJFSA-N 1 2 337.467 3.972 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577412 1123881527 /nfs/dbraw/zinc/88/15/27/1123881527.db2.gz FQRCXKDTRVSTTB-IAGOWNOFSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577412 1123881533 /nfs/dbraw/zinc/88/15/33/1123881533.db2.gz FQRCXKDTRVSTTB-IAGOWNOFSA-N 1 2 338.854 3.921 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543042373 1129151583 /nfs/dbraw/zinc/15/15/83/1129151583.db2.gz WGOLCJXZCPSXSH-SJLPKXTDSA-N 1 2 332.492 3.664 20 0 EHADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616327949 1123983223 /nfs/dbraw/zinc/98/32/23/1123983223.db2.gz DWKCSTBFZHCVQT-QYZOEREBSA-N 1 2 337.467 3.630 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)O1 ZINC000246135098 1124030416 /nfs/dbraw/zinc/03/04/16/1124030416.db2.gz LAJWYGWXPXVDBL-CLLJXQQHSA-N 1 2 333.819 3.668 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1C ZINC000246137299 1124030511 /nfs/dbraw/zinc/03/05/11/1124030511.db2.gz RUNNQNUOBISBBK-DVOMOZLQSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1C ZINC000246137299 1124030519 /nfs/dbraw/zinc/03/05/19/1124030519.db2.gz RUNNQNUOBISBBK-DVOMOZLQSA-N 1 2 349.452 3.959 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000617249709 1124456652 /nfs/dbraw/zinc/45/66/52/1124456652.db2.gz WMSQYQLVHWIAKJ-GFCCVEGCSA-N 1 2 332.835 3.558 20 0 EHADLO Cc1ccc(-c2nc(C(=O)NCCCCn3cc[nH+]c3)cs2)cc1 ZINC000617350071 1124493982 /nfs/dbraw/zinc/49/39/82/1124493982.db2.gz DKHFSFRWJIAIHG-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO CC(C)Oc1ccc(F)c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001212308242 1124597718 /nfs/dbraw/zinc/59/77/18/1124597718.db2.gz OSHQVPYKJLOEJI-UHFFFAOYSA-N 1 2 345.418 3.713 20 0 EHADLO CC[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247597167 1124617919 /nfs/dbraw/zinc/61/79/19/1124617919.db2.gz MWGZKTQFRJMLBB-LMMKCTJWSA-N 1 2 340.471 3.669 20 0 EHADLO Nc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccc1F ZINC001212332226 1124692775 /nfs/dbraw/zinc/69/27/75/1124692775.db2.gz NDNDMUHCNNNILY-UHFFFAOYSA-N 1 2 332.176 3.884 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000248821915 1124703393 /nfs/dbraw/zinc/70/33/93/1124703393.db2.gz JCRGAONCQBQEMC-BRWVUGGUSA-N 1 2 334.508 3.692 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000249037677 1124728979 /nfs/dbraw/zinc/72/89/79/1124728979.db2.gz GJBQCVJMVDOKJK-DGCLKSJQSA-N 1 2 336.482 3.503 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000249037677 1124728988 /nfs/dbraw/zinc/72/89/88/1124728988.db2.gz GJBQCVJMVDOKJK-DGCLKSJQSA-N 1 2 336.482 3.503 20 0 EHADLO Cc1cc(NC[C@H](O)c2ccccc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000734834691 1131284318 /nfs/dbraw/zinc/28/43/18/1131284318.db2.gz DDAVXZICIMPUCG-AWEZNQCLSA-N 1 2 337.345 3.827 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090008155 1124884133 /nfs/dbraw/zinc/88/41/33/1124884133.db2.gz BXEJSSRHADLQJT-INIZCTEOSA-N 1 2 347.256 3.608 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090008155 1124884139 /nfs/dbraw/zinc/88/41/39/1124884139.db2.gz BXEJSSRHADLQJT-INIZCTEOSA-N 1 2 347.256 3.608 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000448783130 1124908415 /nfs/dbraw/zinc/90/84/15/1124908415.db2.gz GKZACVFRCZUDAL-HKUYNNGSSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000888297522 1125152161 /nfs/dbraw/zinc/15/21/61/1125152161.db2.gz GRWRBHGVQJPCJW-SNVBAGLBSA-N 1 2 346.481 3.717 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000888297522 1125152164 /nfs/dbraw/zinc/15/21/64/1125152164.db2.gz GRWRBHGVQJPCJW-SNVBAGLBSA-N 1 2 346.481 3.717 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)s2)cc1 ZINC000093384913 1125238451 /nfs/dbraw/zinc/23/84/51/1125238451.db2.gz XIOULLSUNWNLGN-CQSZACIVSA-N 1 2 337.510 3.588 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)s2)cc1 ZINC000093384913 1125238454 /nfs/dbraw/zinc/23/84/54/1125238454.db2.gz XIOULLSUNWNLGN-CQSZACIVSA-N 1 2 337.510 3.588 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000093417107 1125244622 /nfs/dbraw/zinc/24/46/22/1125244622.db2.gz YRSLONVOMRYUOZ-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000093417107 1125244625 /nfs/dbraw/zinc/24/46/25/1125244625.db2.gz YRSLONVOMRYUOZ-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000619135234 1125294820 /nfs/dbraw/zinc/29/48/20/1125294820.db2.gz LZBHVVLWDUYWFW-IAGOWNOFSA-N 1 2 325.456 3.511 20 0 EHADLO COc1cc(OC)cc(OCCC[N@H+](C)C/C(Cl)=C\Cl)c1 ZINC000763563215 1125331762 /nfs/dbraw/zinc/33/17/62/1125331762.db2.gz FDVINYDEDWQIEX-ZRDIBKRKSA-N 1 2 334.243 3.724 20 0 EHADLO COc1cc(OC)cc(OCCC[N@@H+](C)C/C(Cl)=C\Cl)c1 ZINC000763563215 1125331763 /nfs/dbraw/zinc/33/17/63/1125331763.db2.gz FDVINYDEDWQIEX-ZRDIBKRKSA-N 1 2 334.243 3.724 20 0 EHADLO OC[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413304722 1125345716 /nfs/dbraw/zinc/34/57/16/1125345716.db2.gz YIUCBSRZBRNPLO-GFCCVEGCSA-N 1 2 335.245 3.596 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000619433228 1125348855 /nfs/dbraw/zinc/34/88/55/1125348855.db2.gz VOKUYHGUUIWRQQ-MRXNPFEDSA-N 1 2 336.435 3.683 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000619433228 1125348856 /nfs/dbraw/zinc/34/88/56/1125348856.db2.gz VOKUYHGUUIWRQQ-MRXNPFEDSA-N 1 2 336.435 3.683 20 0 EHADLO C[N@@H+]1[C@@H](c2nc(-c3ccncc3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348494 1125355456 /nfs/dbraw/zinc/35/54/56/1125355456.db2.gz AMDICQCZVKVCFI-OXFYSEKESA-N 1 2 348.406 3.648 20 0 EHADLO C[N@H+]1[C@@H](c2nc(-c3ccncc3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348494 1125355460 /nfs/dbraw/zinc/35/54/60/1125355460.db2.gz AMDICQCZVKVCFI-OXFYSEKESA-N 1 2 348.406 3.648 20 0 EHADLO CCN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccnc1 ZINC000254971472 1125357015 /nfs/dbraw/zinc/35/70/15/1125357015.db2.gz HRNVSFKRLLFIJR-SDMNGIDPSA-N 1 2 346.434 3.890 20 0 EHADLO C[N@@H+]1[C@@H](c2nc(-c3cccnc3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348638 1125364976 /nfs/dbraw/zinc/36/49/76/1125364976.db2.gz HHYWCKRJVJMXSQ-OXFYSEKESA-N 1 2 348.406 3.648 20 0 EHADLO C[N@H+]1[C@@H](c2nc(-c3cccnc3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348638 1125364977 /nfs/dbraw/zinc/36/49/77/1125364977.db2.gz HHYWCKRJVJMXSQ-OXFYSEKESA-N 1 2 348.406 3.648 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000152768609 1125379174 /nfs/dbraw/zinc/37/91/74/1125379174.db2.gz CJFCITWMNNWEDC-UYAOXDASSA-N 1 2 337.467 3.898 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000152768707 1125379359 /nfs/dbraw/zinc/37/93/59/1125379359.db2.gz CJFCITWMNNWEDC-ICSRJNTNSA-N 1 2 337.467 3.898 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000153179801 1125447828 /nfs/dbraw/zinc/44/78/28/1125447828.db2.gz FKNZBPXKRXEZSM-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCc3c[nH+]cn3C)c2c1 ZINC000085987903 1129183121 /nfs/dbraw/zinc/18/31/21/1129183121.db2.gz UMPORLUKBHNHJW-UHFFFAOYSA-N 1 2 335.407 3.820 20 0 EHADLO CCc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000347690488 1129198480 /nfs/dbraw/zinc/19/84/80/1129198480.db2.gz FBLBBBHQQFFRCL-UHFFFAOYSA-N 1 2 335.407 3.777 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC000673135665 1129204303 /nfs/dbraw/zinc/20/43/03/1129204303.db2.gz XJTGSVFGQFLMIK-UHFFFAOYSA-N 1 2 338.455 3.559 20 0 EHADLO Cc1ncc([C@@H](C)[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c(C)n1 ZINC000682078303 1129206498 /nfs/dbraw/zinc/20/64/98/1129206498.db2.gz WWQCFQXBGLMNJX-CYBMUJFWSA-N 1 2 348.853 3.769 20 0 EHADLO Cc1ncc([C@H](C)[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c(C)n1 ZINC000682078304 1129206798 /nfs/dbraw/zinc/20/67/98/1129206798.db2.gz WWQCFQXBGLMNJX-ZDUSSCGKSA-N 1 2 348.853 3.769 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)ccn1 ZINC000347691011 1129208470 /nfs/dbraw/zinc/20/84/70/1129208470.db2.gz WRBGWRKLRPZOAP-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682532335 1129220107 /nfs/dbraw/zinc/22/01/07/1129220107.db2.gz TZAOHTCDXSZWRX-ZWOKBUDYSA-N 1 2 337.467 3.521 20 0 EHADLO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000682733965 1129237283 /nfs/dbraw/zinc/23/72/83/1129237283.db2.gz JFPHZCSEGNFJET-CQSZACIVSA-N 1 2 348.393 3.794 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000673233367 1129247097 /nfs/dbraw/zinc/24/70/97/1129247097.db2.gz UCLBPAMZWIBCOM-MJGOQNOKSA-N 1 2 338.455 3.616 20 0 EHADLO Cc1ccccc1-c1nc(C(=O)NCCCCn2cc[nH+]c2)cs1 ZINC000067155974 1129249196 /nfs/dbraw/zinc/24/91/96/1129249196.db2.gz QRANTSPDDNSIKO-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000067155975 1129249380 /nfs/dbraw/zinc/24/93/80/1129249380.db2.gz JKJYSJBTZURAOF-SFHVURJKSA-N 1 2 345.512 3.738 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2c1C ZINC000067744274 1129302618 /nfs/dbraw/zinc/30/26/18/1129302618.db2.gz MRTZGBFWLBSGLA-UHFFFAOYSA-N 1 2 333.435 3.530 20 0 EHADLO CC[C@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000080548936 1129364403 /nfs/dbraw/zinc/36/44/03/1129364403.db2.gz ALPWIBSCCXSVDO-WMZOPIPTSA-N 1 2 340.471 3.536 20 0 EHADLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)c(Cl)c1F ZINC001143616986 1129372259 /nfs/dbraw/zinc/37/22/59/1129372259.db2.gz ZCQPBUNKCHMHNF-UHFFFAOYSA-N 1 2 334.794 3.575 20 0 EHADLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)c(Cl)c1F ZINC001143616986 1129372264 /nfs/dbraw/zinc/37/22/64/1129372264.db2.gz ZCQPBUNKCHMHNF-UHFFFAOYSA-N 1 2 334.794 3.575 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)c(F)c1 ZINC000338837501 1129413959 /nfs/dbraw/zinc/41/39/59/1129413959.db2.gz ZGMADYHYPDRYTG-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3ccn(C(F)F)n3)CC2)CC1 ZINC000347704481 1129417983 /nfs/dbraw/zinc/41/79/83/1129417983.db2.gz ODSFRKIDXHQQNN-UHFFFAOYSA-N 1 2 327.419 3.838 20 0 EHADLO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000466466304 1129474233 /nfs/dbraw/zinc/47/42/33/1129474233.db2.gz QDPXAKXBEZALIZ-ZDUSSCGKSA-N 1 2 339.277 3.900 20 0 EHADLO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000466466304 1129474237 /nfs/dbraw/zinc/47/42/37/1129474237.db2.gz QDPXAKXBEZALIZ-ZDUSSCGKSA-N 1 2 339.277 3.900 20 0 EHADLO C[C@H](CC(=O)OCc1ccc[nH+]c1N)c1ccccc1C(F)(F)F ZINC000922484914 1129548443 /nfs/dbraw/zinc/54/84/43/1129548443.db2.gz QDZDRHJOUFHTCB-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc(C(F)(F)F)c1 ZINC000922577241 1129579042 /nfs/dbraw/zinc/57/90/42/1129579042.db2.gz OUFWBPXKASIXPE-OAHLLOKOSA-N 1 2 337.345 3.745 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC(C)C)c2C1 ZINC000499985634 1129611173 /nfs/dbraw/zinc/61/11/73/1129611173.db2.gz ZNRNOUFJHNZQAI-UHFFFAOYSA-N 1 2 339.483 3.779 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC(C)C)c2C1 ZINC000499985634 1129611176 /nfs/dbraw/zinc/61/11/76/1129611176.db2.gz ZNRNOUFJHNZQAI-UHFFFAOYSA-N 1 2 339.483 3.779 20 0 EHADLO O=C(Nc1csc(-c2ccncc2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338872489 1129626722 /nfs/dbraw/zinc/62/67/22/1129626722.db2.gz JOWXIXMVNXJXDF-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1oc(C(C)C)nc1C)c1cccc(F)c1 ZINC000428945951 1129628316 /nfs/dbraw/zinc/62/83/16/1129628316.db2.gz HTNMBDJRDPTPSM-LJQANCHMSA-N 1 2 348.418 3.814 20 0 EHADLO COc1cc(C[NH2+][C@H]2CCCC2(F)F)ccc1OCc1ccncc1 ZINC000673617481 1129664431 /nfs/dbraw/zinc/66/44/31/1129664431.db2.gz FVSWHQKKCXGKDR-SFHVURJKSA-N 1 2 348.393 3.947 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000509034329 1129679436 /nfs/dbraw/zinc/67/94/36/1129679436.db2.gz CLXGOPYKNKNNEP-GOSISDBHSA-N 1 2 333.520 3.995 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000509034329 1129679438 /nfs/dbraw/zinc/67/94/38/1129679438.db2.gz CLXGOPYKNKNNEP-GOSISDBHSA-N 1 2 333.520 3.995 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)nc1 ZINC000338883144 1129688154 /nfs/dbraw/zinc/68/81/54/1129688154.db2.gz MHHWLDIFBVWXOQ-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO COc1ccnc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c1 ZINC000429036421 1129715198 /nfs/dbraw/zinc/71/51/98/1129715198.db2.gz QDHGOAMQMKSRKN-ZDUSSCGKSA-N 1 2 349.837 3.593 20 0 EHADLO COc1ccnc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c1 ZINC000429036421 1129715199 /nfs/dbraw/zinc/71/51/99/1129715199.db2.gz QDHGOAMQMKSRKN-ZDUSSCGKSA-N 1 2 349.837 3.593 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2ccncc2Br)c1 ZINC000625056393 1129718553 /nfs/dbraw/zinc/71/85/53/1129718553.db2.gz RXRWTJVUZFSOPA-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2ccncc2Br)c1 ZINC000625056393 1129718557 /nfs/dbraw/zinc/71/85/57/1129718557.db2.gz RXRWTJVUZFSOPA-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO O=C(CCc1ccc(Cl)c(F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625190435 1129757248 /nfs/dbraw/zinc/75/72/48/1129757248.db2.gz BUKYZTSQIJXIDB-CYBMUJFWSA-N 1 2 335.810 3.541 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625203126 1129759800 /nfs/dbraw/zinc/75/98/00/1129759800.db2.gz FARXNDKODDEGCN-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625203126 1129759804 /nfs/dbraw/zinc/75/98/04/1129759804.db2.gz FARXNDKODDEGCN-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000028174757 1129778886 /nfs/dbraw/zinc/77/88/86/1129778886.db2.gz NMNDGMDTHKMPAM-HXUWFJFHSA-N 1 2 340.492 3.682 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000028174757 1129778889 /nfs/dbraw/zinc/77/88/89/1129778889.db2.gz NMNDGMDTHKMPAM-HXUWFJFHSA-N 1 2 340.492 3.682 20 0 EHADLO Cc1ccsc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282424903 1129781655 /nfs/dbraw/zinc/78/16/55/1129781655.db2.gz UDSPATWHEOPGJD-AWEZNQCLSA-N 1 2 329.469 3.609 20 0 EHADLO CC1(C(=O)NCCCCNc2cccc[nH+]2)CCC(F)(F)CC1 ZINC000625275025 1129797242 /nfs/dbraw/zinc/79/72/42/1129797242.db2.gz GKPDVYMRSVBJFN-UHFFFAOYSA-N 1 2 325.403 3.606 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(O)ccc1Cl ZINC000625327404 1129828395 /nfs/dbraw/zinc/82/83/95/1129828395.db2.gz FTKYEEZAGBALTQ-UHFFFAOYSA-N 1 2 329.831 3.957 20 0 EHADLO C[C@H]1C[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 ZINC000673756911 1129831556 /nfs/dbraw/zinc/83/15/56/1129831556.db2.gz KNUDLKKDTISJOS-LLVKDONJSA-N 1 2 348.447 3.550 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 ZINC000673756911 1129831559 /nfs/dbraw/zinc/83/15/59/1129831559.db2.gz KNUDLKKDTISJOS-LLVKDONJSA-N 1 2 348.447 3.550 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)[nH+]c12 ZINC000673775608 1129838770 /nfs/dbraw/zinc/83/87/70/1129838770.db2.gz BFQVREJMIFVWRN-LPHOPBHVSA-N 1 2 348.450 3.588 20 0 EHADLO CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000766033805 1129861905 /nfs/dbraw/zinc/86/19/05/1129861905.db2.gz KLTIEFHQCUAGEE-UHFFFAOYSA-N 1 2 327.359 3.903 20 0 EHADLO Clc1cc(Cl)cc(-c2nc(CN3CCc4[nH+]c[nH]c4C3)co2)c1 ZINC000625434308 1129870203 /nfs/dbraw/zinc/87/02/03/1129870203.db2.gz NVMBVZQDRZQRKC-UHFFFAOYSA-N 1 2 349.221 3.930 20 0 EHADLO Clc1cc(Cl)cc(-c2nc(CN3CCn4c[nH+]cc4C3)co2)c1 ZINC000625440790 1129874241 /nfs/dbraw/zinc/87/42/41/1129874241.db2.gz QMZGYPUGYQVZAD-UHFFFAOYSA-N 1 2 349.221 3.861 20 0 EHADLO CCO[C@H](CC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000057214782 1129877672 /nfs/dbraw/zinc/87/76/72/1129877672.db2.gz IQGMOTRNHJDMSI-QGZVFWFLSA-N 1 2 327.428 3.640 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000073984628 1129884443 /nfs/dbraw/zinc/88/44/43/1129884443.db2.gz HZWGXZJRTFJTOU-SNVBAGLBSA-N 1 2 325.359 3.819 20 0 EHADLO CC(C)C1(C)CC[NH+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000186885834 1129887657 /nfs/dbraw/zinc/88/76/57/1129887657.db2.gz PNHDNMQNPTWPAC-UHFFFAOYSA-N 1 2 345.516 3.729 20 0 EHADLO C[N@H+](Cc1ccncc1Br)C1CC(OC(C)(C)C)C1 ZINC000625482433 1129900006 /nfs/dbraw/zinc/90/00/06/1129900006.db2.gz QCTKFQQGUWUEHF-UHFFFAOYSA-N 1 2 327.266 3.622 20 0 EHADLO C[N@@H+](Cc1ccncc1Br)C1CC(OC(C)(C)C)C1 ZINC000625482433 1129900009 /nfs/dbraw/zinc/90/00/09/1129900009.db2.gz QCTKFQQGUWUEHF-UHFFFAOYSA-N 1 2 327.266 3.622 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000347831784 1129900342 /nfs/dbraw/zinc/90/03/42/1129900342.db2.gz OITCCPTZRPGPEN-OCCSQVGLSA-N 1 2 337.345 3.594 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000455651139 1129905331 /nfs/dbraw/zinc/90/53/31/1129905331.db2.gz NXLGXBLTUROMOB-QZWWFDLISA-N 1 2 332.492 3.524 20 0 EHADLO O=C(C[NH+]1CCC(c2ccco2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625530445 1129917245 /nfs/dbraw/zinc/91/72/45/1129917245.db2.gz AHHCDPNZUFUXQU-UHFFFAOYSA-N 1 2 326.371 3.962 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031005173 1129937299 /nfs/dbraw/zinc/93/72/99/1129937299.db2.gz LGGFQRUIMCENRC-GFCCVEGCSA-N 1 2 327.815 3.770 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031005173 1129937301 /nfs/dbraw/zinc/93/73/01/1129937301.db2.gz LGGFQRUIMCENRC-GFCCVEGCSA-N 1 2 327.815 3.770 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000673985201 1129939178 /nfs/dbraw/zinc/93/91/78/1129939178.db2.gz KPACAGWXLNQMRB-YQQAZPJKSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674011377 1129957960 /nfs/dbraw/zinc/95/79/60/1129957960.db2.gz WGZJFHDNSUWTFN-CXAGYDPISA-N 1 2 344.455 3.607 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674011377 1129957961 /nfs/dbraw/zinc/95/79/61/1129957961.db2.gz WGZJFHDNSUWTFN-CXAGYDPISA-N 1 2 344.455 3.607 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010957 1129958420 /nfs/dbraw/zinc/95/84/20/1129958420.db2.gz CFHQNWQFXZBMJK-ACJLOTCBSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010957 1129958422 /nfs/dbraw/zinc/95/84/22/1129958422.db2.gz CFHQNWQFXZBMJK-ACJLOTCBSA-N 1 2 346.833 3.931 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001212518574 1129966383 /nfs/dbraw/zinc/96/63/83/1129966383.db2.gz OCVCIGHXYUTLNI-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000625645042 1129966967 /nfs/dbraw/zinc/96/69/67/1129966967.db2.gz DQZJLAFKKBBGMC-XQQFMLRXSA-N 1 2 328.378 3.684 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000625645042 1129966968 /nfs/dbraw/zinc/96/69/68/1129966968.db2.gz DQZJLAFKKBBGMC-XQQFMLRXSA-N 1 2 328.378 3.684 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000674023482 1129967209 /nfs/dbraw/zinc/96/72/09/1129967209.db2.gz IVDDWGLKERJXJI-WCQYABFASA-N 1 2 340.349 3.825 20 0 EHADLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H](C)C1(F)F ZINC000625649011 1129967963 /nfs/dbraw/zinc/96/79/63/1129967963.db2.gz JRFIGVGZAXCPQU-LALPHHSUSA-N 1 2 342.817 3.668 20 0 EHADLO Brc1ccc(S[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000625704909 1129987645 /nfs/dbraw/zinc/98/76/45/1129987645.db2.gz NZCWZVOKLSONIG-ZDUSSCGKSA-N 1 2 338.274 3.539 20 0 EHADLO Brc1ccc(S[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000625704909 1129987648 /nfs/dbraw/zinc/98/76/48/1129987648.db2.gz NZCWZVOKLSONIG-ZDUSSCGKSA-N 1 2 338.274 3.539 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000674120837 1130008302 /nfs/dbraw/zinc/00/83/02/1130008302.db2.gz VENAUBDXHXJFPY-OAQYLSRUSA-N 1 2 347.462 3.806 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362003 1130074332 /nfs/dbraw/zinc/07/43/32/1130074332.db2.gz FAMCGXLUTTWYNE-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362003 1130074339 /nfs/dbraw/zinc/07/43/39/1130074339.db2.gz FAMCGXLUTTWYNE-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1cc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000674410566 1130086600 /nfs/dbraw/zinc/08/66/00/1130086600.db2.gz IWBVTNNETPMSBJ-UWVGGRQHSA-N 1 2 339.283 3.839 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000172724712 1130156847 /nfs/dbraw/zinc/15/68/47/1130156847.db2.gz OIMFBJCXQNYQBL-HOTGVXAUSA-N 1 2 338.407 3.520 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001212520612 1130203468 /nfs/dbraw/zinc/20/34/68/1130203468.db2.gz FSWTZVVKHSBXLC-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456714 1130234657 /nfs/dbraw/zinc/23/46/57/1130234657.db2.gz NNWKXSQZRPQRMD-CVEARBPZSA-N 1 2 326.444 3.765 20 0 EHADLO CC1(C)CN(C(=O)NCC[NH+]2Cc3ccccc3C2)c2ccccc21 ZINC000675095255 1130249363 /nfs/dbraw/zinc/24/93/63/1130249363.db2.gz CXMMFQQOZRCAQS-UHFFFAOYSA-N 1 2 335.451 3.510 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)[nH+]c12 ZINC000675107681 1130254862 /nfs/dbraw/zinc/25/48/62/1130254862.db2.gz ZBZDJAGSJHYMAA-SOLBZPMBSA-N 1 2 340.471 3.548 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675190222 1130279325 /nfs/dbraw/zinc/27/93/25/1130279325.db2.gz ATIZVHLITMHQQN-PXNSSMCTSA-N 1 2 340.471 3.536 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675264141 1130296135 /nfs/dbraw/zinc/29/61/35/1130296135.db2.gz IBPLXUSTFIRHKQ-CQSZACIVSA-N 1 2 348.834 3.804 20 0 EHADLO CCOc1c(F)cccc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001212536077 1130320619 /nfs/dbraw/zinc/32/06/19/1130320619.db2.gz IJPVKXONKPRHOY-UHFFFAOYSA-N 1 2 343.446 3.715 20 0 EHADLO O=C(CCc1cccc(Cl)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636321 1130393904 /nfs/dbraw/zinc/39/39/04/1130393904.db2.gz PIQNKCCUUOCZSN-UHFFFAOYSA-N 1 2 343.858 3.584 20 0 EHADLO CC(C)(C)n1cc(Nc2cc(Br)cn3cc[nH+]c23)cn1 ZINC001212567866 1130411686 /nfs/dbraw/zinc/41/16/86/1130411686.db2.gz WQPMSUAGNZYYQH-UHFFFAOYSA-N 1 2 334.221 3.792 20 0 EHADLO Cc1nc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548311 1130426133 /nfs/dbraw/zinc/42/61/33/1130426133.db2.gz LBOKDBCANBIAPW-QWRGUYRKSA-N 1 2 341.299 3.969 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000675644053 1130437824 /nfs/dbraw/zinc/43/78/24/1130437824.db2.gz STTUYINCPKKVLN-KBXCAEBGSA-N 1 2 329.444 3.923 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000675644053 1130437829 /nfs/dbraw/zinc/43/78/29/1130437829.db2.gz STTUYINCPKKVLN-KBXCAEBGSA-N 1 2 329.444 3.923 20 0 EHADLO COc1ccc(C([NH2+][C@@H](C)c2cnccn2)c2ccc(OC)cc2)cc1 ZINC000675773388 1130474610 /nfs/dbraw/zinc/47/46/10/1130474610.db2.gz OABVSEJIULQVSD-HNNXBMFYSA-N 1 2 349.434 3.934 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000675888420 1130502242 /nfs/dbraw/zinc/50/22/42/1130502242.db2.gz FKXFQWDOZFCKEB-UHFFFAOYSA-N 1 2 331.313 3.958 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000675888420 1130502245 /nfs/dbraw/zinc/50/22/45/1130502245.db2.gz FKXFQWDOZFCKEB-UHFFFAOYSA-N 1 2 331.313 3.958 20 0 EHADLO CC(C)([NH2+]Cc1coc(-c2cccs2)n1)C(=O)Nc1ccccc1 ZINC000675971725 1130512359 /nfs/dbraw/zinc/51/23/59/1130512359.db2.gz AGJKCBDVJDUMRE-UHFFFAOYSA-N 1 2 341.436 3.910 20 0 EHADLO Brc1csc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000675974415 1130513927 /nfs/dbraw/zinc/51/39/27/1130513927.db2.gz CHQCTYHSYWTJLN-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000535275663 1130588075 /nfs/dbraw/zinc/58/80/75/1130588075.db2.gz GEMMONGEWDNFHV-QGZVFWFLSA-N 1 2 349.459 3.727 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000535275663 1130588076 /nfs/dbraw/zinc/58/80/76/1130588076.db2.gz GEMMONGEWDNFHV-QGZVFWFLSA-N 1 2 349.459 3.727 20 0 EHADLO Cc1ccc(C)c(CC(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000727983340 1130616635 /nfs/dbraw/zinc/61/66/35/1130616635.db2.gz RSOOTMXMDCUYJN-UHFFFAOYSA-N 1 2 341.451 3.742 20 0 EHADLO O=C(/C=C/c1ccsc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730506856 1130715316 /nfs/dbraw/zinc/71/53/16/1130715316.db2.gz PYHWSSJCXKBKQF-AATRIKPKSA-N 1 2 341.480 3.853 20 0 EHADLO CCc1cccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000730593495 1130721712 /nfs/dbraw/zinc/72/17/12/1130721712.db2.gz ATKWWFCCSXWFKT-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO CC[C@](C)(NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000730901603 1130748008 /nfs/dbraw/zinc/74/80/08/1130748008.db2.gz CXPHKNSKNLNPOB-NRFANRHFSA-N 1 2 348.450 3.997 20 0 EHADLO Cc1ccc(N(Cc2cccs2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000731968391 1130870197 /nfs/dbraw/zinc/87/01/97/1130870197.db2.gz YKFRAQQVPZYAEE-UHFFFAOYSA-N 1 2 325.437 3.877 20 0 EHADLO CC/C=C(\C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732136348 1130889349 /nfs/dbraw/zinc/88/93/49/1130889349.db2.gz YKGFVLCFIMMDDL-ZUFYJRLNSA-N 1 2 338.854 3.916 20 0 EHADLO CC/C=C(\C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732136348 1130889354 /nfs/dbraw/zinc/88/93/54/1130889354.db2.gz YKGFVLCFIMMDDL-ZUFYJRLNSA-N 1 2 338.854 3.916 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000732554129 1130935643 /nfs/dbraw/zinc/93/56/43/1130935643.db2.gz YKRSMMDXHQWXBX-QFBILLFUSA-N 1 2 339.483 3.609 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000732808831 1130958748 /nfs/dbraw/zinc/95/87/48/1130958748.db2.gz MGVCWDICKLUSAD-AWEZNQCLSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000732808831 1130958751 /nfs/dbraw/zinc/95/87/51/1130958751.db2.gz MGVCWDICKLUSAD-AWEZNQCLSA-N 1 2 341.282 3.970 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732986400 1130979557 /nfs/dbraw/zinc/97/95/57/1130979557.db2.gz LGXDVASJAIPHNC-IBGZPJMESA-N 1 2 344.405 3.760 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732986400 1130979562 /nfs/dbraw/zinc/97/95/62/1130979562.db2.gz LGXDVASJAIPHNC-IBGZPJMESA-N 1 2 344.405 3.760 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733198412 1131004443 /nfs/dbraw/zinc/00/44/43/1131004443.db2.gz ZYUATOVWFUOWRC-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733198412 1131004449 /nfs/dbraw/zinc/00/44/49/1131004449.db2.gz ZYUATOVWFUOWRC-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297476 1131023084 /nfs/dbraw/zinc/02/30/84/1131023084.db2.gz NVYBBEGYNNXJIV-WFASDCNBSA-N 1 2 326.362 3.668 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297476 1131023087 /nfs/dbraw/zinc/02/30/87/1131023087.db2.gz NVYBBEGYNNXJIV-WFASDCNBSA-N 1 2 326.362 3.668 20 0 EHADLO CCn1c(C[NH2+]Cc2nc(-c3ccncc3)cs2)nc2ccccc21 ZINC000733331287 1131028003 /nfs/dbraw/zinc/02/80/03/1131028003.db2.gz JDZLHAKBCPOBPJ-UHFFFAOYSA-N 1 2 349.463 3.865 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)CC12CCC2 ZINC000282566058 1131097443 /nfs/dbraw/zinc/09/74/43/1131097443.db2.gz ZAESEQUKRHJOJB-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)CC12CCC2 ZINC000282566058 1131097448 /nfs/dbraw/zinc/09/74/48/1131097448.db2.gz ZAESEQUKRHJOJB-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347958107 1131105034 /nfs/dbraw/zinc/10/50/34/1131105034.db2.gz YHRRYCBBMBCOAZ-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000347958107 1131105037 /nfs/dbraw/zinc/10/50/37/1131105037.db2.gz YHRRYCBBMBCOAZ-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H]2CSCCc3ccccc32)cs1 ZINC000348045824 1131136456 /nfs/dbraw/zinc/13/64/56/1131136456.db2.gz RNCJIHXCVMWDLM-LRDDRELGSA-N 1 2 334.510 3.971 20 0 EHADLO C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000144378210 1131164404 /nfs/dbraw/zinc/16/44/04/1131164404.db2.gz NCPOTNDVBXIYNC-PTNGSMBKSA-N 1 2 335.382 3.731 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1sccc1SC(F)F ZINC000733969553 1131177677 /nfs/dbraw/zinc/17/76/77/1131177677.db2.gz LVRKWWZOBZGXEV-UHFFFAOYSA-N 1 2 325.365 3.963 20 0 EHADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(-c2sccc2C)oc1=S ZINC000738082875 1131460248 /nfs/dbraw/zinc/46/02/48/1131460248.db2.gz UVCLYOORKOTYQO-GFCCVEGCSA-N 1 2 339.486 3.558 20 0 EHADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2sccc2C)oc1=S ZINC000738082875 1131460250 /nfs/dbraw/zinc/46/02/50/1131460250.db2.gz UVCLYOORKOTYQO-GFCCVEGCSA-N 1 2 339.486 3.558 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000738300499 1131467287 /nfs/dbraw/zinc/46/72/87/1131467287.db2.gz WDMFFZWELFMUEC-CQSZACIVSA-N 1 2 326.440 3.987 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000738300499 1131467290 /nfs/dbraw/zinc/46/72/90/1131467290.db2.gz WDMFFZWELFMUEC-CQSZACIVSA-N 1 2 326.440 3.987 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738948187 1131490824 /nfs/dbraw/zinc/49/08/24/1131490824.db2.gz GAGJRMPJXFZAJN-INIZCTEOSA-N 1 2 342.349 3.982 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738989346 1131492761 /nfs/dbraw/zinc/49/27/61/1131492761.db2.gz AIAQGKGTNMTFAR-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000740475602 1131532504 /nfs/dbraw/zinc/53/25/04/1131532504.db2.gz ZAQABTQOSYQXBF-KRWDZBQOSA-N 1 2 326.444 3.737 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860518 1131549803 /nfs/dbraw/zinc/54/98/03/1131549803.db2.gz QCDJRSCKADTMGS-NWDGAFQWSA-N 1 2 349.456 3.578 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860518 1131549808 /nfs/dbraw/zinc/54/98/08/1131549808.db2.gz QCDJRSCKADTMGS-NWDGAFQWSA-N 1 2 349.456 3.578 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988396 1131563563 /nfs/dbraw/zinc/56/35/63/1131563563.db2.gz ZVYKWXKGVRGTRV-LSDHHAIUSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988396 1131563567 /nfs/dbraw/zinc/56/35/67/1131563567.db2.gz ZVYKWXKGVRGTRV-LSDHHAIUSA-N 1 2 327.399 3.877 20 0 EHADLO CSc1ccc(COC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000740986950 1131563765 /nfs/dbraw/zinc/56/37/65/1131563765.db2.gz IFUQUOMHYAGOKC-HNNXBMFYSA-N 1 2 341.476 3.899 20 0 EHADLO CSc1ccc(COC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000740986950 1131563770 /nfs/dbraw/zinc/56/37/70/1131563770.db2.gz IFUQUOMHYAGOKC-HNNXBMFYSA-N 1 2 341.476 3.899 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150774 1131583534 /nfs/dbraw/zinc/58/35/34/1131583534.db2.gz MYGQBDRZZRPTGF-UKRRQHHQSA-N 1 2 345.443 3.664 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150774 1131583537 /nfs/dbraw/zinc/58/35/37/1131583537.db2.gz MYGQBDRZZRPTGF-UKRRQHHQSA-N 1 2 345.443 3.664 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741400533 1131600970 /nfs/dbraw/zinc/60/09/70/1131600970.db2.gz AGYZNSSCJUMBNF-CYBMUJFWSA-N 1 2 340.349 3.537 20 0 EHADLO O=C(C1CCCCCCC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000741520519 1131613976 /nfs/dbraw/zinc/61/39/76/1131613976.db2.gz IAEAMRPGMINYRI-UHFFFAOYSA-N 1 2 344.499 3.570 20 0 EHADLO NC(=O)c1ccc(CNc2[nH+]c3ccccc3n2C2CCCC2)cc1 ZINC000205761708 1131622886 /nfs/dbraw/zinc/62/28/86/1131622886.db2.gz GAQZBZIRCZZGBN-UHFFFAOYSA-N 1 2 334.423 3.862 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000741786808 1131648015 /nfs/dbraw/zinc/64/80/15/1131648015.db2.gz DSNRHCQGNQUQDP-OAHLLOKOSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000741786808 1131648019 /nfs/dbraw/zinc/64/80/19/1131648019.db2.gz DSNRHCQGNQUQDP-OAHLLOKOSA-N 1 2 341.282 3.970 20 0 EHADLO CCCCCC[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000742038462 1131684774 /nfs/dbraw/zinc/68/47/74/1131684774.db2.gz NMMNBLAJGFRWGZ-GOSISDBHSA-N 1 2 346.515 3.742 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000742158364 1131695170 /nfs/dbraw/zinc/69/51/70/1131695170.db2.gz BUUCTPXOJJSHMR-UHFFFAOYSA-N 1 2 345.468 3.723 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000742158364 1131695173 /nfs/dbraw/zinc/69/51/73/1131695173.db2.gz BUUCTPXOJJSHMR-UHFFFAOYSA-N 1 2 345.468 3.723 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000742239483 1131699347 /nfs/dbraw/zinc/69/93/47/1131699347.db2.gz VPGLHKYBVWNYBH-UHFFFAOYSA-N 1 2 332.394 3.641 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000742239483 1131699349 /nfs/dbraw/zinc/69/93/49/1131699349.db2.gz VPGLHKYBVWNYBH-UHFFFAOYSA-N 1 2 332.394 3.641 20 0 EHADLO Cc1nc2c(F)cccc2cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667173 1131766194 /nfs/dbraw/zinc/76/61/94/1131766194.db2.gz GAHPXVCOWIUDLT-UHFFFAOYSA-N 1 2 337.398 3.602 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570212 1131776405 /nfs/dbraw/zinc/77/64/05/1131776405.db2.gz ICRCLUGICILIIF-ZUZCIYMTSA-N 1 2 331.790 3.577 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+]1[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570212 1131776412 /nfs/dbraw/zinc/77/64/12/1131776412.db2.gz ICRCLUGICILIIF-ZUZCIYMTSA-N 1 2 331.790 3.577 20 0 EHADLO CCCc1onc(C)c1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212669626 1131778273 /nfs/dbraw/zinc/77/82/73/1131778273.db2.gz IHOXKYFVAJEDKV-UHFFFAOYSA-N 1 2 335.367 3.838 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000743021930 1131838470 /nfs/dbraw/zinc/83/84/70/1131838470.db2.gz OQLZVADPADZPJK-KRWDZBQOSA-N 1 2 336.464 3.691 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172839036 1131863565 /nfs/dbraw/zinc/86/35/65/1131863565.db2.gz AKSRZJMIFPFFGZ-ZETCQYMHSA-N 1 2 337.704 3.602 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172870260 1131888987 /nfs/dbraw/zinc/88/89/87/1131888987.db2.gz VPMNBBPGQDQRCP-GFCCVEGCSA-N 1 2 336.842 3.641 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172870260 1131888996 /nfs/dbraw/zinc/88/89/96/1131888996.db2.gz VPMNBBPGQDQRCP-GFCCVEGCSA-N 1 2 336.842 3.641 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)[C@H](C)[C@H]2c2ccccc2)cc1C ZINC000743361462 1131901963 /nfs/dbraw/zinc/90/19/63/1131901963.db2.gz MVSRKYRKHWOKJW-UZLBHIALSA-N 1 2 338.451 3.613 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)[C@H](C)[C@H]2c2ccccc2)cc1C ZINC000743361462 1131901970 /nfs/dbraw/zinc/90/19/70/1131901970.db2.gz MVSRKYRKHWOKJW-UZLBHIALSA-N 1 2 338.451 3.613 20 0 EHADLO COc1ccc(-n2ccn(C[NH+]3C[C@@H](C)S[C@H](C)C3)c2=S)cc1 ZINC000743374172 1131904638 /nfs/dbraw/zinc/90/46/38/1131904638.db2.gz FVIXMUPCSKYFKC-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO Cn1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)c2ccc(Cl)nc21 ZINC001212693106 1131906573 /nfs/dbraw/zinc/90/65/73/1131906573.db2.gz CUJRNQSVAVZBJD-UHFFFAOYSA-N 1 2 338.802 3.610 20 0 EHADLO Cc1cnn(Cc2ccncc2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693477 1131906752 /nfs/dbraw/zinc/90/67/52/1131906752.db2.gz YUACHPLWAUCNMI-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO C[C@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000743392309 1131910437 /nfs/dbraw/zinc/91/04/37/1131910437.db2.gz HAROTLKLUCAFMK-SJCJKPOMSA-N 1 2 328.799 3.898 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000743392309 1131910443 /nfs/dbraw/zinc/91/04/43/1131910443.db2.gz HAROTLKLUCAFMK-SJCJKPOMSA-N 1 2 328.799 3.898 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398367 1131911848 /nfs/dbraw/zinc/91/18/48/1131911848.db2.gz GWCGMZRGWCYFNR-MNOVXSKESA-N 1 2 333.548 3.632 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(CSC)oc2=S)C1 ZINC000743398367 1131911853 /nfs/dbraw/zinc/91/18/53/1131911853.db2.gz GWCGMZRGWCYFNR-MNOVXSKESA-N 1 2 333.548 3.632 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000743478198 1131923827 /nfs/dbraw/zinc/92/38/27/1131923827.db2.gz SMACZOQFDQOVFU-ZBFHGGJFSA-N 1 2 343.496 3.860 20 0 EHADLO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3c(F)cccc3F)C2=O)cc1 ZINC000743473252 1131928996 /nfs/dbraw/zinc/92/89/96/1131928996.db2.gz USLAEGYMPXOIEQ-SUMWQHHRSA-N 1 2 330.378 3.729 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1F ZINC001212699131 1131933574 /nfs/dbraw/zinc/93/35/74/1131933574.db2.gz PHXJFWURPOCVRQ-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO CN1Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2N(C)C1=O ZINC001212699930 1131934748 /nfs/dbraw/zinc/93/47/48/1131934748.db2.gz KNTPUQXTJVZKNI-UHFFFAOYSA-N 1 2 347.422 3.677 20 0 EHADLO COC(=O)c1c(F)cccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697702 1131936387 /nfs/dbraw/zinc/93/63/87/1131936387.db2.gz ORKDSISIMYMTCA-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1F ZINC001212700797 1131938160 /nfs/dbraw/zinc/93/81/60/1131938160.db2.gz GIZSGRQEMPWKHT-UHFFFAOYSA-N 1 2 328.391 3.913 20 0 EHADLO CN1c2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2C(C)(C)C1=O ZINC001212698993 1131938207 /nfs/dbraw/zinc/93/82/07/1131938207.db2.gz HQFKRBDZNYFCMW-UHFFFAOYSA-N 1 2 346.434 3.929 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000743565104 1131942327 /nfs/dbraw/zinc/94/23/27/1131942327.db2.gz SAWNTUJDTVFNTO-OAHLLOKOSA-N 1 2 326.444 3.640 20 0 EHADLO CCCOC1CCC([N@@H+]2CCn3c(COCC)cnc3[C@H]2C)CC1 ZINC001173097382 1131952924 /nfs/dbraw/zinc/95/29/24/1131952924.db2.gz FFOPJEJKYOALKU-KLHKWILBSA-N 1 2 335.492 3.534 20 0 EHADLO CCCOC1CCC([N@H+]2CCn3c(COCC)cnc3[C@H]2C)CC1 ZINC001173097382 1131952928 /nfs/dbraw/zinc/95/29/28/1131952928.db2.gz FFOPJEJKYOALKU-KLHKWILBSA-N 1 2 335.492 3.534 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001173082289 1131961386 /nfs/dbraw/zinc/96/13/86/1131961386.db2.gz KYJLDXKJBAKVAV-BXUZGUMPSA-N 1 2 347.377 3.694 20 0 EHADLO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCn2ncnc2C1 ZINC001173216390 1132002202 /nfs/dbraw/zinc/00/22/02/1132002202.db2.gz XXIAXEBIRLVUMN-QGZVFWFLSA-N 1 2 332.451 3.704 20 0 EHADLO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCn2ncnc2C1 ZINC001173216390 1132002206 /nfs/dbraw/zinc/00/22/06/1132002206.db2.gz XXIAXEBIRLVUMN-QGZVFWFLSA-N 1 2 332.451 3.704 20 0 EHADLO CCSC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001173314419 1132058176 /nfs/dbraw/zinc/05/81/76/1132058176.db2.gz INQYAYGZBMMIIP-YOEHRIQHSA-N 1 2 335.513 3.897 20 0 EHADLO CCSC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001173314419 1132058180 /nfs/dbraw/zinc/05/81/80/1132058180.db2.gz INQYAYGZBMMIIP-YOEHRIQHSA-N 1 2 335.513 3.897 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000744432067 1132095954 /nfs/dbraw/zinc/09/59/54/1132095954.db2.gz FQHKDKXQWDXXEP-WOJBJXKFSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000744432067 1132095960 /nfs/dbraw/zinc/09/59/60/1132095960.db2.gz FQHKDKXQWDXXEP-WOJBJXKFSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000744433316 1132098395 /nfs/dbraw/zinc/09/83/95/1132098395.db2.gz ACFKJFIHRVXXDP-WMZOPIPTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000744433316 1132098403 /nfs/dbraw/zinc/09/84/03/1132098403.db2.gz ACFKJFIHRVXXDP-WMZOPIPTSA-N 1 2 332.513 3.629 20 0 EHADLO Ic1cc(Nc2ccccc2)cn2cc[nH+]c12 ZINC001173792288 1132149324 /nfs/dbraw/zinc/14/93/24/1132149324.db2.gz IKZMIVROWCAYKL-UHFFFAOYSA-N 1 2 335.148 3.683 20 0 EHADLO Cc1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1C ZINC001173954183 1132193736 /nfs/dbraw/zinc/19/37/36/1132193736.db2.gz JGVYJKFXUMGQKQ-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745080985 1132194903 /nfs/dbraw/zinc/19/49/03/1132194903.db2.gz DHBKBTIIMNDUHP-OAHLLOKOSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745080985 1132194908 /nfs/dbraw/zinc/19/49/08/1132194908.db2.gz DHBKBTIIMNDUHP-OAHLLOKOSA-N 1 2 334.803 3.523 20 0 EHADLO c1ccc2ncc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2c1 ZINC001174002774 1132199983 /nfs/dbraw/zinc/19/99/83/1132199983.db2.gz UUMFAPDDCPCKCU-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000766324270 1132202327 /nfs/dbraw/zinc/20/23/27/1132202327.db2.gz YZGWTELWQQBHNT-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001174054243 1132209350 /nfs/dbraw/zinc/20/93/50/1132209350.db2.gz KDMGMELKUSOZNM-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(F)c1 ZINC001174144027 1132252862 /nfs/dbraw/zinc/25/28/62/1132252862.db2.gz LKQVJWDUPMEHJK-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO c1c[nH+]c(Nc2cccc(N3CCCCC3)c2)c(N2CCOCC2)c1 ZINC001174302620 1132302756 /nfs/dbraw/zinc/30/27/56/1132302756.db2.gz ZYBDADDJEQUOHG-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO COc1cc(Nc2ccc(Oc3cc[nH+]c(C)c3)cc2)c(OC)nn1 ZINC001174354280 1132322075 /nfs/dbraw/zinc/32/20/75/1132322075.db2.gz CMQXHYKNPZJTBP-UHFFFAOYSA-N 1 2 338.367 3.733 20 0 EHADLO FC(F)(F)c1cnc(NC2=CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001174392668 1132328055 /nfs/dbraw/zinc/32/80/55/1132328055.db2.gz GPQQFGZNQRFYRE-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO FC(F)(F)c1cnc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001174392668 1132328061 /nfs/dbraw/zinc/32/80/61/1132328061.db2.gz GPQQFGZNQRFYRE-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cc(Cl)cnc3C(N)=O)ccc21 ZINC001174382078 1132344444 /nfs/dbraw/zinc/34/44/44/1132344444.db2.gz WUYAHYRGAIPOIK-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3nccnc3Br)ccc21 ZINC001174382130 1132344715 /nfs/dbraw/zinc/34/47/15/1132344715.db2.gz ZVTZFWPUCOPJLS-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO CC(C)C[N@H+](CCc1ccc(F)cc1)Cn1ncsc1=S ZINC000746066233 1132364453 /nfs/dbraw/zinc/36/44/53/1132364453.db2.gz RCKWBGLWEUZVGU-UHFFFAOYSA-N 1 2 325.478 3.971 20 0 EHADLO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cn1ncsc1=S ZINC000746066233 1132364460 /nfs/dbraw/zinc/36/44/60/1132364460.db2.gz RCKWBGLWEUZVGU-UHFFFAOYSA-N 1 2 325.478 3.971 20 0 EHADLO CCOC(=O)c1ccc2c(cccc2Nc2cc[nH+]c3[nH]ccc32)n1 ZINC001174415667 1132367861 /nfs/dbraw/zinc/36/78/61/1132367861.db2.gz PQVRNGHDHWCGLP-UHFFFAOYSA-N 1 2 332.363 3.983 20 0 EHADLO Cc1cc(F)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001174528879 1132384412 /nfs/dbraw/zinc/38/44/12/1132384412.db2.gz NIBVMYZGYHFYRC-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1O ZINC001174540480 1132389518 /nfs/dbraw/zinc/38/95/18/1132389518.db2.gz NLOWSEJPAXIURG-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO COc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)cc2cccnc21 ZINC001174522387 1132399084 /nfs/dbraw/zinc/39/90/84/1132399084.db2.gz XVSJBGMAEQTYQM-UHFFFAOYSA-N 1 2 335.411 3.767 20 0 EHADLO O=C1c2cccc(Nc3ccc(N4CCCCC4)[nH+]c3)c2CN1C1CC1 ZINC001174524703 1132401748 /nfs/dbraw/zinc/40/17/48/1132401748.db2.gz OHLOMBBZSXQUEF-UHFFFAOYSA-N 1 2 348.450 3.934 20 0 EHADLO CC(C)(NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCCO1 ZINC001174679414 1132435123 /nfs/dbraw/zinc/43/51/23/1132435123.db2.gz YVUMITKEYQJCJM-IXDOHACOSA-N 1 2 345.487 3.516 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000188695043 1132438158 /nfs/dbraw/zinc/43/81/58/1132438158.db2.gz TVOCJYDHGMVPNL-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000188695043 1132438161 /nfs/dbraw/zinc/43/81/61/1132438161.db2.gz TVOCJYDHGMVPNL-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000190834846 1132457397 /nfs/dbraw/zinc/45/73/97/1132457397.db2.gz CKVACCJYMQAHMF-UHFFFAOYSA-N 1 2 332.492 3.808 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192989142 1132478056 /nfs/dbraw/zinc/47/80/56/1132478056.db2.gz BLFGUCONUXFAMV-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192989142 1132478059 /nfs/dbraw/zinc/47/80/59/1132478059.db2.gz BLFGUCONUXFAMV-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000193216994 1132479643 /nfs/dbraw/zinc/47/96/43/1132479643.db2.gz KHTRKKBMTOAJKF-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000193216994 1132479647 /nfs/dbraw/zinc/47/96/47/1132479647.db2.gz KHTRKKBMTOAJKF-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO CC(=O)N1CCC[C@@H](CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)C1 ZINC001168779882 1132510464 /nfs/dbraw/zinc/51/04/64/1132510464.db2.gz OSAJRDIEEFWUOE-KRWDZBQOSA-N 1 2 348.450 3.696 20 0 EHADLO c1ccc(N2CCCCC2)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976923 1132511431 /nfs/dbraw/zinc/51/14/31/1132511431.db2.gz HNDAERXARMGQGH-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)c(F)c1F ZINC001174967169 1132521773 /nfs/dbraw/zinc/52/17/73/1132521773.db2.gz BDQUYJKNXYJZRT-UHFFFAOYSA-N 1 2 348.328 3.999 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccc(Cl)nc3)C2=O)cc1 ZINC000746449929 1132539863 /nfs/dbraw/zinc/53/98/63/1132539863.db2.gz INGVNCSRBPSYLH-QGZVFWFLSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccc(Cl)nc3)C2=O)cc1 ZINC000746449929 1132539868 /nfs/dbraw/zinc/53/98/68/1132539868.db2.gz INGVNCSRBPSYLH-QGZVFWFLSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(F)c1Br ZINC001249462134 1132549535 /nfs/dbraw/zinc/54/95/35/1132549535.db2.gz XIHZLSJCAGKXJX-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)c(F)c1Br ZINC001249462134 1132549540 /nfs/dbraw/zinc/54/95/40/1132549540.db2.gz XIHZLSJCAGKXJX-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO CCOc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC001175051704 1132550680 /nfs/dbraw/zinc/55/06/80/1132550680.db2.gz DAAMLYPPBVUVJS-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO Fc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(C(F)(F)F)c1 ZINC001175101618 1132553858 /nfs/dbraw/zinc/55/38/58/1132553858.db2.gz USFRFAMGQHJEHG-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO COc1cc(Nc2cc(Br)cn3cc[nH+]c23)cc(OC)c1 ZINC001175102121 1132553922 /nfs/dbraw/zinc/55/39/22/1132553922.db2.gz RRJMPKHWISDJQI-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO O=C(CCNc1cc2c3c(c1)CCC[NH+]3CCC2)Nc1ccccc1 ZINC001168977576 1132617300 /nfs/dbraw/zinc/61/73/00/1132617300.db2.gz QYTSYBLJUYAPSZ-UHFFFAOYSA-N 1 2 335.451 3.826 20 0 EHADLO O=C(CC[NH2+]c1cc2c3c(c1)CCCN3CCC2)Nc1ccccc1 ZINC001168977576 1132617311 /nfs/dbraw/zinc/61/73/11/1132617311.db2.gz QYTSYBLJUYAPSZ-UHFFFAOYSA-N 1 2 335.451 3.826 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1c(F)ccc(O)c1F ZINC001175266452 1132622465 /nfs/dbraw/zinc/62/24/65/1132622465.db2.gz ZZHPYUDRMRPGTF-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)c[nH+]1 ZINC001175342507 1132626238 /nfs/dbraw/zinc/62/62/38/1132626238.db2.gz QXCQKISJTBFLLQ-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)c(Cl)c1 ZINC001175346670 1132628887 /nfs/dbraw/zinc/62/88/87/1132628887.db2.gz XBMSUBARNIPKSU-UHFFFAOYSA-N 1 2 333.819 3.650 20 0 EHADLO COc1ccc(-c2cc(Nc3ccc(N4CCCC4)[nH+]c3)n(C)n2)cc1 ZINC001175346359 1132629071 /nfs/dbraw/zinc/62/90/71/1132629071.db2.gz QOIXKNQBGGXOID-UHFFFAOYSA-N 1 2 349.438 3.835 20 0 EHADLO CCOC(=O)c1coc2cc(Nc3ccc(N(C)C)[nH+]c3)ccc12 ZINC001175346714 1132629119 /nfs/dbraw/zinc/62/91/19/1132629119.db2.gz ZHUYASMWAUITAT-UHFFFAOYSA-N 1 2 325.368 3.814 20 0 EHADLO Fc1cc(NCCc2cn3ccccc3[nH+]2)cc(F)c1OC(F)F ZINC001169004736 1132629854 /nfs/dbraw/zinc/62/98/54/1132629854.db2.gz PYIYCNIZRMBUMQ-UHFFFAOYSA-N 1 2 339.292 3.869 20 0 EHADLO COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)n1 ZINC001175347957 1132630439 /nfs/dbraw/zinc/63/04/39/1132630439.db2.gz YWODQTDMGUTUMJ-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1nc(C)c(NCCc2cn3ccccc3[nH+]2)cc1Br ZINC001169005163 1132630601 /nfs/dbraw/zinc/63/06/01/1132630601.db2.gz ZNSWHIPARUTMTC-UHFFFAOYSA-N 1 2 345.244 3.763 20 0 EHADLO O=C1c2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc2CN1C1CC1 ZINC001175352735 1132647179 /nfs/dbraw/zinc/64/71/79/1132647179.db2.gz OCLZYANDNVNTDK-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO Cc1nc(Nc2ccc3ncccc3c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175373485 1132652821 /nfs/dbraw/zinc/65/28/21/1132652821.db2.gz ZJEFCIHMOBPINX-OKILXGFUSA-N 1 2 349.438 3.690 20 0 EHADLO C[C@@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175481044 1132679401 /nfs/dbraw/zinc/67/94/01/1132679401.db2.gz CZNKQWDBKHCQBN-NRFANRHFSA-N 1 2 337.467 3.986 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1(C)C ZINC001169159706 1132682143 /nfs/dbraw/zinc/68/21/43/1132682143.db2.gz VXWUIUXVUXDGQD-HKUYNNGSSA-N 1 2 337.467 3.905 20 0 EHADLO Nc1nc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)nc2ccccc12 ZINC001175504276 1132691667 /nfs/dbraw/zinc/69/16/67/1132691667.db2.gz WZPOJUFLBNYUGI-HXUWFJFHSA-N 1 2 336.414 3.673 20 0 EHADLO Nc1nc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)nc2ccccc12 ZINC001175504276 1132691669 /nfs/dbraw/zinc/69/16/69/1132691669.db2.gz WZPOJUFLBNYUGI-HXUWFJFHSA-N 1 2 336.414 3.673 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2Cc2cccc(OC)c2C)cc1 ZINC001175637922 1132719377 /nfs/dbraw/zinc/71/93/77/1132719377.db2.gz FOQYRXDLGLYIBW-LJQANCHMSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2Cc2cccc(OC)c2C)cc1 ZINC001175637922 1132719386 /nfs/dbraw/zinc/71/93/86/1132719386.db2.gz FOQYRXDLGLYIBW-LJQANCHMSA-N 1 2 327.424 3.586 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001169343813 1132730706 /nfs/dbraw/zinc/73/07/06/1132730706.db2.gz VUQMSLCHCUFMSU-LBPRGKRZSA-N 1 2 345.361 3.500 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001169343813 1132730711 /nfs/dbraw/zinc/73/07/11/1132730711.db2.gz VUQMSLCHCUFMSU-LBPRGKRZSA-N 1 2 345.361 3.500 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2c(C)n[nH]c2c1 ZINC001175662014 1132733751 /nfs/dbraw/zinc/73/37/51/1132733751.db2.gz YWQIZHNUYGPPBU-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C)c1 ZINC001175712669 1132739973 /nfs/dbraw/zinc/73/99/73/1132739973.db2.gz FYWYDSPJPSPPMA-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO Cc1noc(-c2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2)n1 ZINC001175713902 1132740424 /nfs/dbraw/zinc/74/04/24/1132740424.db2.gz GCRONUMNPUJDIO-UHFFFAOYSA-N 1 2 335.289 3.785 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](CF)C3)n2)cc1C ZINC001175715001 1132741446 /nfs/dbraw/zinc/74/14/46/1132741446.db2.gz LCFIWWAGIZZYCL-CQSZACIVSA-N 1 2 347.459 3.657 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](CF)C3)n2)cc1C ZINC001175715001 1132741453 /nfs/dbraw/zinc/74/14/53/1132741453.db2.gz LCFIWWAGIZZYCL-CQSZACIVSA-N 1 2 347.459 3.657 20 0 EHADLO Brc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC001175715967 1132741510 /nfs/dbraw/zinc/74/15/10/1132741510.db2.gz RDFGPBWCYAOGEL-GJZGRUSLSA-N 1 2 349.297 3.974 20 0 EHADLO Brc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC001175715967 1132741517 /nfs/dbraw/zinc/74/15/17/1132741517.db2.gz RDFGPBWCYAOGEL-GJZGRUSLSA-N 1 2 349.297 3.974 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000804322991 1132751336 /nfs/dbraw/zinc/75/13/36/1132751336.db2.gz CGJDTFYEFXMVEF-NVXWUHKLSA-N 1 2 349.434 3.956 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc(Br)n2)c[nH+]1 ZINC001175707656 1132754814 /nfs/dbraw/zinc/75/48/14/1132754814.db2.gz JIPUSKATLVUTPN-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCCNC(=O)Nc2ccccc2)c1C ZINC001169430464 1132761424 /nfs/dbraw/zinc/76/14/24/1132761424.db2.gz OWJHMTXMLPXGMJ-UHFFFAOYSA-N 1 2 341.459 3.625 20 0 EHADLO Cc1cc2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)cn2c1 ZINC001175885598 1132781697 /nfs/dbraw/zinc/78/16/97/1132781697.db2.gz VICCGUFYDYWGNG-FQEVSTJZSA-N 1 2 344.418 3.616 20 0 EHADLO CCOC(=O)C1(CNc2cc[nH+]c(OCc3ccccc3)c2)CCC1 ZINC001169555455 1132785377 /nfs/dbraw/zinc/78/53/77/1132785377.db2.gz APEWWUWFIPSDPE-UHFFFAOYSA-N 1 2 340.423 3.806 20 0 EHADLO CCc1onc(C)c1C[NH+]1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC001175906812 1132795009 /nfs/dbraw/zinc/79/50/09/1132795009.db2.gz LGNZPPCQDPOUSQ-LJQANCHMSA-N 1 2 345.462 3.953 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)cc1C ZINC001169581454 1132795686 /nfs/dbraw/zinc/79/56/86/1132795686.db2.gz FVJAILXZHRMYGL-IBGZPJMESA-N 1 2 329.415 3.740 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)cc1C ZINC001169581454 1132795691 /nfs/dbraw/zinc/79/56/91/1132795691.db2.gz FVJAILXZHRMYGL-IBGZPJMESA-N 1 2 329.415 3.740 20 0 EHADLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C)c(F)c1F ZINC001176094775 1132834736 /nfs/dbraw/zinc/83/47/36/1132834736.db2.gz KQUZZKNLXJNHJP-UHFFFAOYSA-N 1 2 344.365 3.503 20 0 EHADLO COc1cccc2[nH]c(Nc3ccccc3C[NH+]3CCOCC3)cc21 ZINC001176064022 1132840224 /nfs/dbraw/zinc/84/02/24/1132840224.db2.gz MOYFEFKSHWWDEM-UHFFFAOYSA-N 1 2 337.423 3.752 20 0 EHADLO COc1cc[nH+]cc1Nc1ccnn1-c1cccc(Br)c1 ZINC001176118281 1132851651 /nfs/dbraw/zinc/85/16/51/1132851651.db2.gz FCYYQMULCGNTJB-UHFFFAOYSA-N 1 2 345.200 3.782 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(C(=O)OCC(C)C)cc(N)c1Cl ZINC001176120412 1132852136 /nfs/dbraw/zinc/85/21/36/1132852136.db2.gz AHZYXFGNAGPCDI-UHFFFAOYSA-N 1 2 349.818 3.882 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(I)ccc1F ZINC001176123102 1132853756 /nfs/dbraw/zinc/85/37/56/1132853756.db2.gz IWWOLQCNHPCKNY-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C1CC1 ZINC000766836183 1132859058 /nfs/dbraw/zinc/85/90/58/1132859058.db2.gz OFEFCOBTIQPHPH-UHFFFAOYSA-N 1 2 325.412 3.594 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c(Cl)c1 ZINC001176158607 1132868001 /nfs/dbraw/zinc/86/80/01/1132868001.db2.gz RPDYAOAMJOROLK-AWEZNQCLSA-N 1 2 347.846 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ncc4c(F)cccn43)cc2)[nH+]c1C ZINC001176219636 1132878148 /nfs/dbraw/zinc/87/81/48/1132878148.db2.gz KWMZSYACURIQDB-UHFFFAOYSA-N 1 2 349.369 3.733 20 0 EHADLO CCN(C)c1ccc(Nc2cc(F)cc(C(=O)N(CC)CC)c2)c[nH+]1 ZINC001176298456 1132906868 /nfs/dbraw/zinc/90/68/68/1132906868.db2.gz HMUOKGWQETUKPK-UHFFFAOYSA-N 1 2 344.434 3.902 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000766980900 1132926537 /nfs/dbraw/zinc/92/65/37/1132926537.db2.gz MOCHNWXHGHOPRY-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000766980900 1132926539 /nfs/dbraw/zinc/92/65/39/1132926539.db2.gz MOCHNWXHGHOPRY-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001176402045 1132931767 /nfs/dbraw/zinc/93/17/67/1132931767.db2.gz KDKKPNZODNSINV-CZUORRHYSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001176402045 1132931772 /nfs/dbraw/zinc/93/17/72/1132931772.db2.gz KDKKPNZODNSINV-CZUORRHYSA-N 1 2 330.255 3.528 20 0 EHADLO Cc1cc(C)c(Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)c[nH+]1 ZINC001176527348 1132957684 /nfs/dbraw/zinc/95/76/84/1132957684.db2.gz ITFZMXBPYBKQFQ-UHFFFAOYSA-N 1 2 345.830 3.568 20 0 EHADLO CC(C)(C)Oc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001176637698 1132974732 /nfs/dbraw/zinc/97/47/32/1132974732.db2.gz XKFKOYQVERCWAQ-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@]23CCCOC3)no1 ZINC001177008147 1133022150 /nfs/dbraw/zinc/02/21/50/1133022150.db2.gz HPULBGKOHCXEPG-IBGZPJMESA-N 1 2 327.428 3.580 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCCC[C@@]23CCCOC3)no1 ZINC001177008147 1133022154 /nfs/dbraw/zinc/02/21/54/1133022154.db2.gz HPULBGKOHCXEPG-IBGZPJMESA-N 1 2 327.428 3.580 20 0 EHADLO OCC[C@H]1COCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000767596306 1133024027 /nfs/dbraw/zinc/02/40/27/1133024027.db2.gz BAOTTXMWCCAUEN-KRWDZBQOSA-N 1 2 347.842 3.716 20 0 EHADLO OCC[C@H]1COCC[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000767596306 1133024033 /nfs/dbraw/zinc/02/40/33/1133024033.db2.gz BAOTTXMWCCAUEN-KRWDZBQOSA-N 1 2 347.842 3.716 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001177175685 1133040504 /nfs/dbraw/zinc/04/05/04/1133040504.db2.gz OOJJHMQPASGKHJ-AWEZNQCLSA-N 1 2 332.407 3.742 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000767752818 1133053421 /nfs/dbraw/zinc/05/34/21/1133053421.db2.gz DQYRUXGCOWFXDU-SFHVURJKSA-N 1 2 325.456 3.789 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000767752818 1133053424 /nfs/dbraw/zinc/05/34/24/1133053424.db2.gz DQYRUXGCOWFXDU-SFHVURJKSA-N 1 2 325.456 3.789 20 0 EHADLO COc1cccc([C@H]2CN(C(=O)[C@H](C)CC3CCCCC3)CC[NH2+]2)c1 ZINC001169975572 1133055107 /nfs/dbraw/zinc/05/51/07/1133055107.db2.gz PVTDPSMDJOYYHJ-OXQOHEQNSA-N 1 2 344.499 3.775 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000767800288 1133055404 /nfs/dbraw/zinc/05/54/04/1133055404.db2.gz QPJVTTYIHRNSSZ-IRXDYDNUSA-N 1 2 332.492 3.668 20 0 EHADLO C[C@H](c1cccc2ccccc21)N(C)C(=O)CN(C)c1cccc[nH+]1 ZINC001177412867 1133063526 /nfs/dbraw/zinc/06/35/26/1133063526.db2.gz WISHYNYQVWUWPQ-MRXNPFEDSA-N 1 2 333.435 3.891 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000768132382 1133100407 /nfs/dbraw/zinc/10/04/07/1133100407.db2.gz DRPOXOSNXXRHLO-LLVKDONJSA-N 1 2 331.466 3.716 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)CNc1ccc(N(C)CCO)c[nH+]1 ZINC001178059287 1133128205 /nfs/dbraw/zinc/12/82/05/1133128205.db2.gz DPTHJXVIUNCKOX-SDNWHVSQSA-N 1 2 331.847 3.679 20 0 EHADLO CN(CCO)c1ccc(NCc2ccc(C3CCCC3)cc2)[nH+]c1 ZINC001178060178 1133128536 /nfs/dbraw/zinc/12/85/36/1133128536.db2.gz OQCRPWDWGCBOKN-UHFFFAOYSA-N 1 2 325.456 3.780 20 0 EHADLO CC(C)c1ccnc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001178227295 1133148932 /nfs/dbraw/zinc/14/89/32/1133148932.db2.gz ZRMTZDUSAGUCAD-UHFFFAOYSA-N 1 2 334.423 3.631 20 0 EHADLO c1sc2ccccc2c1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC001178383287 1133161785 /nfs/dbraw/zinc/16/17/85/1133161785.db2.gz ZRJUUMXWQDJCCL-UHFFFAOYSA-N 1 2 339.464 3.741 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[nH]1 ZINC001178409418 1133167286 /nfs/dbraw/zinc/16/72/86/1133167286.db2.gz SFVHWDFFZBNHEG-SECBINFHSA-N 1 2 330.329 3.937 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2ccc(Br)nc2)c(F)c1F ZINC001178640496 1133184195 /nfs/dbraw/zinc/18/41/95/1133184195.db2.gz VZMGBGSCXVKPMS-UHFFFAOYSA-N 1 2 349.125 3.690 20 0 EHADLO Clc1ccc(C[NH2+]Cc2ccncc2OCc2ccccc2)nc1 ZINC001178700059 1133192300 /nfs/dbraw/zinc/19/23/00/1133192300.db2.gz IFJPETJHANJTQZ-UHFFFAOYSA-N 1 2 339.826 3.999 20 0 EHADLO Cc1[nH+]c(NCc2ccc3ncccc3c2)ccc1-c1cnn(C)c1 ZINC001178778632 1133201669 /nfs/dbraw/zinc/20/16/69/1133201669.db2.gz RYFAGZZOROPVSA-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2ccccn21)C[C@@H]1OCCc2ccccc21 ZINC000769024722 1133215381 /nfs/dbraw/zinc/21/53/81/1133215381.db2.gz SNURKBGGBZASPG-KRWDZBQOSA-N 1 2 341.842 3.734 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2ccccn21)C[C@@H]1OCCc2ccccc21 ZINC000769024722 1133215385 /nfs/dbraw/zinc/21/53/85/1133215385.db2.gz SNURKBGGBZASPG-KRWDZBQOSA-N 1 2 341.842 3.734 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H](O)c1ccccc1 ZINC000769072320 1133225408 /nfs/dbraw/zinc/22/54/08/1133225408.db2.gz IJYOYJGGFVMSML-IBGZPJMESA-N 1 2 347.418 3.559 20 0 EHADLO COC[C@H](C)Oc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC001179148875 1133231458 /nfs/dbraw/zinc/23/14/58/1133231458.db2.gz YAQBAAXVSUVKLW-HNNXBMFYSA-N 1 2 326.440 3.986 20 0 EHADLO COc1cccc(OC)c1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001204252260 1133268230 /nfs/dbraw/zinc/26/82/30/1133268230.db2.gz URYAMNYDXNAPFQ-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO CCc1cccc2cc(C[NH2+][C@H](C(N)=O)c3ccc(Cl)cc3)oc21 ZINC001179793097 1133283032 /nfs/dbraw/zinc/28/30/32/1133283032.db2.gz FVZXICLDNMDCJX-KRWDZBQOSA-N 1 2 342.826 3.965 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cnsc1 ZINC001179810905 1133285957 /nfs/dbraw/zinc/28/59/57/1133285957.db2.gz RHHDEUYVMSLQPA-UHFFFAOYSA-N 1 2 337.246 3.887 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c(C)o1 ZINC000769481105 1133288237 /nfs/dbraw/zinc/28/82/37/1133288237.db2.gz RDDDXSUVHSUROY-UHFFFAOYSA-N 1 2 339.338 3.859 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c(C)o1 ZINC000769481105 1133288242 /nfs/dbraw/zinc/28/82/42/1133288242.db2.gz RDDDXSUVHSUROY-UHFFFAOYSA-N 1 2 339.338 3.859 20 0 EHADLO C[C@@H]1C[N@H+](Cc2n[nH]cc2Br)CC[C@@H]1c1ccccc1 ZINC001179878220 1133298376 /nfs/dbraw/zinc/29/83/76/1133298376.db2.gz MZTRXBKQEFMFHC-OCCSQVGLSA-N 1 2 334.261 3.798 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2n[nH]cc2Br)CC[C@@H]1c1ccccc1 ZINC001179878220 1133298381 /nfs/dbraw/zinc/29/83/81/1133298381.db2.gz MZTRXBKQEFMFHC-OCCSQVGLSA-N 1 2 334.261 3.798 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000769499900 1133302733 /nfs/dbraw/zinc/30/27/33/1133302733.db2.gz XHXVSBWBYPBXKR-MRXNPFEDSA-N 1 2 343.858 3.761 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000769499900 1133302737 /nfs/dbraw/zinc/30/27/37/1133302737.db2.gz XHXVSBWBYPBXKR-MRXNPFEDSA-N 1 2 343.858 3.761 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cccc(OC)c3o2)CC[S@]1=O ZINC000769556438 1133315408 /nfs/dbraw/zinc/31/54/08/1133315408.db2.gz LHUGEIGVJGFCSX-HSZRJFAPSA-N 1 2 335.469 3.565 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[S@]1=O ZINC000769556438 1133315411 /nfs/dbraw/zinc/31/54/11/1133315411.db2.gz LHUGEIGVJGFCSX-HSZRJFAPSA-N 1 2 335.469 3.565 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccnc(OC)c1F ZINC001180188201 1133337865 /nfs/dbraw/zinc/33/78/65/1133337865.db2.gz BIOIVXHFTGMDAV-MRXNPFEDSA-N 1 2 330.403 3.965 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccnc(OC)c1F ZINC001180188201 1133337870 /nfs/dbraw/zinc/33/78/70/1133337870.db2.gz BIOIVXHFTGMDAV-MRXNPFEDSA-N 1 2 330.403 3.965 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769781857 1133344762 /nfs/dbraw/zinc/34/47/62/1133344762.db2.gz MZXGXYGSLAEWPR-UHFFFAOYSA-N 1 2 325.790 3.960 20 0 EHADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000769799355 1133347845 /nfs/dbraw/zinc/34/78/45/1133347845.db2.gz USEBVCADKUNMNN-CQSZACIVSA-N 1 2 334.529 3.894 20 0 EHADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCCC3(CC3)C2)C1 ZINC000769799355 1133347852 /nfs/dbraw/zinc/34/78/52/1133347852.db2.gz USEBVCADKUNMNN-CQSZACIVSA-N 1 2 334.529 3.894 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3ncccc3F)CC2)c(C)c1 ZINC001180257566 1133351665 /nfs/dbraw/zinc/35/16/65/1133351665.db2.gz GSJPGDJJXJQCSS-UHFFFAOYSA-N 1 2 326.415 3.932 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(Cc2ccccc2)no1 ZINC000769853053 1133356393 /nfs/dbraw/zinc/35/63/93/1133356393.db2.gz WEVVTGLDYPXYMG-CQSZACIVSA-N 1 2 335.407 3.541 20 0 EHADLO CCn1nc(C[NH2+]Cc2nc3ccccc3n2CC)c2ccccc21 ZINC000769909498 1133357457 /nfs/dbraw/zinc/35/74/57/1133357457.db2.gz ASMGODQDWFLSLH-UHFFFAOYSA-N 1 2 333.439 3.716 20 0 EHADLO CCNc1ccccc1C[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC001180431059 1133368628 /nfs/dbraw/zinc/36/86/28/1133368628.db2.gz VKNUDDIHIKDVAO-UHFFFAOYSA-N 1 2 336.439 3.789 20 0 EHADLO CCNc1ccccc1C[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC001180431059 1133368635 /nfs/dbraw/zinc/36/86/35/1133368635.db2.gz VKNUDDIHIKDVAO-UHFFFAOYSA-N 1 2 336.439 3.789 20 0 EHADLO COc1cccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1F ZINC000769979618 1133371234 /nfs/dbraw/zinc/37/12/34/1133371234.db2.gz GPKSZHASJPONPW-UHFFFAOYSA-N 1 2 343.446 3.981 20 0 EHADLO CC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1OC(F)F ZINC000770072001 1133384174 /nfs/dbraw/zinc/38/41/74/1133384174.db2.gz ZBZRLWULXBSKMF-ZDUSSCGKSA-N 1 2 345.349 3.817 20 0 EHADLO COc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1F ZINC000770065740 1133387930 /nfs/dbraw/zinc/38/79/30/1133387930.db2.gz CFMGCBUUIYOKAE-MRXNPFEDSA-N 1 2 336.794 3.729 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350774 1133418680 /nfs/dbraw/zinc/41/86/80/1133418680.db2.gz PIVRWTBQIZIIOF-HZMBPMFUSA-N 1 2 340.254 3.551 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350774 1133418681 /nfs/dbraw/zinc/41/86/81/1133418681.db2.gz PIVRWTBQIZIIOF-HZMBPMFUSA-N 1 2 340.254 3.551 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352518 1133420725 /nfs/dbraw/zinc/42/07/25/1133420725.db2.gz ONHARUMLYQZAMG-RYUDHWBXSA-N 1 2 332.275 3.506 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352518 1133420727 /nfs/dbraw/zinc/42/07/27/1133420727.db2.gz ONHARUMLYQZAMG-RYUDHWBXSA-N 1 2 332.275 3.506 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc3[nH+]ccn32)C2CC2)o1 ZINC000770399831 1133423423 /nfs/dbraw/zinc/42/34/23/1133423423.db2.gz CGRUUMXMFMNJIG-XJKSGUPXSA-N 1 2 335.407 3.856 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccco1)Cc1ccccc1 ZINC000770403205 1133423850 /nfs/dbraw/zinc/42/38/50/1133423850.db2.gz YZSDOJWGKGZJLI-UHFFFAOYSA-N 1 2 331.375 3.770 20 0 EHADLO Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770415569 1133426110 /nfs/dbraw/zinc/42/61/10/1133426110.db2.gz MQEFLRBGBWGULT-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO O=C(NCCCO[C@H]1CCCc2ccccc21)c1cccc2[nH+]ccn21 ZINC000770427915 1133428363 /nfs/dbraw/zinc/42/83/63/1133428363.db2.gz UQQXOHAEUQSRHL-IBGZPJMESA-N 1 2 349.434 3.548 20 0 EHADLO Cc1c[nH]c(CCNC(=O)CCc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC001180929896 1133430502 /nfs/dbraw/zinc/43/05/02/1133430502.db2.gz AETYDFPNFHMMJF-UHFFFAOYSA-N 1 2 349.434 3.802 20 0 EHADLO CC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)c[nH]1 ZINC000770652793 1133460776 /nfs/dbraw/zinc/46/07/76/1133460776.db2.gz APYSVOKLNDDTNS-HNNXBMFYSA-N 1 2 345.406 3.606 20 0 EHADLO Fc1nccc(Cl)c1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC001181213020 1133470358 /nfs/dbraw/zinc/47/03/58/1133470358.db2.gz KBAVSXXXWPWGSH-UHFFFAOYSA-N 1 2 345.849 3.901 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1occc1COc1ccccc1 ZINC000770911293 1133481020 /nfs/dbraw/zinc/48/10/20/1133481020.db2.gz RULGYCCUOSPBGI-UHFFFAOYSA-N 1 2 348.358 3.863 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(F)c(Br)c1 ZINC000770924849 1133484687 /nfs/dbraw/zinc/48/46/87/1133484687.db2.gz IXSKWDMLBZDCNZ-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1[nH]c2ccccc2c1Cl ZINC000770922639 1133485056 /nfs/dbraw/zinc/48/50/56/1133485056.db2.gz OPQYAZUAYQNARP-UHFFFAOYSA-N 1 2 325.755 3.826 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1CC(F)(F)F)C2 ZINC001181688969 1133507916 /nfs/dbraw/zinc/50/79/16/1133507916.db2.gz TZARCNDDNCKWRO-UHFFFAOYSA-N 1 2 337.341 3.892 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1ccccc1CC(F)(F)F)C2 ZINC001181688969 1133507918 /nfs/dbraw/zinc/50/79/18/1133507918.db2.gz TZARCNDDNCKWRO-UHFFFAOYSA-N 1 2 337.341 3.892 20 0 EHADLO Cc1c[nH]c(CCNC(=O)C[C@H](C)Sc2ccc(Cl)cc2)[nH+]1 ZINC001181772170 1133525126 /nfs/dbraw/zinc/52/51/26/1133525126.db2.gz VVLVKDIIBZQDOF-LBPRGKRZSA-N 1 2 337.876 3.601 20 0 EHADLO CCCOc1ccc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC001204310662 1133548277 /nfs/dbraw/zinc/54/82/77/1133548277.db2.gz YXZBSGPGJMKGEN-UHFFFAOYSA-N 1 2 325.408 3.778 20 0 EHADLO CCCOc1ccc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC001204310662 1133548280 /nfs/dbraw/zinc/54/82/80/1133548280.db2.gz YXZBSGPGJMKGEN-UHFFFAOYSA-N 1 2 325.408 3.778 20 0 EHADLO COc1cccc(C2([NH2+]C/C(Cl)=C/Cl)CCOCC2)c1F ZINC000773989989 1133586463 /nfs/dbraw/zinc/58/64/63/1133586463.db2.gz GWMCUZITVZQDDM-LUAWRHEFSA-N 1 2 334.218 3.749 20 0 EHADLO C/C(=C/C(C)(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000771889777 1133611731 /nfs/dbraw/zinc/61/17/31/1133611731.db2.gz DJIAZDWIOKHLDN-SQFISAMPSA-N 1 2 344.503 3.549 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000771950207 1133619059 /nfs/dbraw/zinc/61/90/59/1133619059.db2.gz JBVVFUNIBAAMNB-RYUDHWBXSA-N 1 2 325.195 3.537 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(Br)cc2ccccc21 ZINC000771957549 1133620676 /nfs/dbraw/zinc/62/06/76/1133620676.db2.gz JIWIUWDYWIZWTN-UHFFFAOYSA-N 1 2 345.196 3.656 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000771978315 1133622856 /nfs/dbraw/zinc/62/28/56/1133622856.db2.gz YHADENXJXPQEPE-KBPBESRZSA-N 1 2 325.195 3.537 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C/c3ccccc3Cl)[nH+]c12 ZINC000746539696 1133684931 /nfs/dbraw/zinc/68/49/31/1133684931.db2.gz MJDJNJPQTDQDDY-CMDGGOBGSA-N 1 2 339.826 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C/c3ccc(Cl)s3)[nH+]c12 ZINC000746539935 1133684993 /nfs/dbraw/zinc/68/49/93/1133684993.db2.gz NQXRGESZSHFSJX-FNORWQNLSA-N 1 2 345.855 3.730 20 0 EHADLO CC[C@@H](C)C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC001182575087 1133702129 /nfs/dbraw/zinc/70/21/29/1133702129.db2.gz WNUISGLOKOWDHA-MIYHGESISA-N 1 2 325.399 3.778 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)C/C=C/c2cc(C)c(C)cc2C)c1 ZINC001182875047 1133741873 /nfs/dbraw/zinc/74/18/73/1133741873.db2.gz WSIUGWQXGODJAN-VOTSOKGWSA-N 1 2 337.467 3.899 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)C/C=C/c2cc(C)c(C)cc2C)c1 ZINC001182875047 1133741879 /nfs/dbraw/zinc/74/18/79/1133741879.db2.gz WSIUGWQXGODJAN-VOTSOKGWSA-N 1 2 337.467 3.899 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000785733420 1133742759 /nfs/dbraw/zinc/74/27/59/1133742759.db2.gz QZLHEJHHRGUMEA-GASCZTMLSA-N 1 2 331.456 3.730 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000785733420 1133742761 /nfs/dbraw/zinc/74/27/61/1133742761.db2.gz QZLHEJHHRGUMEA-GASCZTMLSA-N 1 2 331.456 3.730 20 0 EHADLO Fc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)C2 ZINC001182960139 1133751798 /nfs/dbraw/zinc/75/17/98/1133751798.db2.gz OUIGNKQPAYPKKJ-IRXDYDNUSA-N 1 2 335.369 3.985 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183032072 1133758983 /nfs/dbraw/zinc/75/89/83/1133758983.db2.gz ZEONVHQCDQKKSC-VBKZILBWSA-N 1 2 349.409 3.919 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC001183454102 1133809836 /nfs/dbraw/zinc/80/98/36/1133809836.db2.gz IYHVOMYEJMVBET-ICSRJNTNSA-N 1 2 341.499 3.736 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC001183752954 1133855082 /nfs/dbraw/zinc/85/50/82/1133855082.db2.gz PSFVBOPDEXMZTE-SFHVURJKSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC001183752954 1133855090 /nfs/dbraw/zinc/85/50/90/1133855090.db2.gz PSFVBOPDEXMZTE-SFHVURJKSA-N 1 2 338.451 3.903 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)C1(C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC001183803694 1133861141 /nfs/dbraw/zinc/86/11/41/1133861141.db2.gz QZVRQAMOQSKYMR-HNNXBMFYSA-N 1 2 341.282 3.903 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+](Cc2ccccn2)CC(C)C)nn1 ZINC001183930430 1133873587 /nfs/dbraw/zinc/87/35/87/1133873587.db2.gz RNZKUVJZBNWJNS-UHFFFAOYSA-N 1 2 335.455 3.629 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+](Cc2ccccn2)CC(C)C)nn1 ZINC001183930430 1133873592 /nfs/dbraw/zinc/87/35/92/1133873592.db2.gz RNZKUVJZBNWJNS-UHFFFAOYSA-N 1 2 335.455 3.629 20 0 EHADLO CC[C@H](C[N@H+](CC)CN1c2ccccc2C(=O)C1=O)c1ccccc1 ZINC000774700477 1133879629 /nfs/dbraw/zinc/87/96/29/1133879629.db2.gz GWZSZUNOEWJSOD-MRXNPFEDSA-N 1 2 336.435 3.689 20 0 EHADLO CC[C@H](C[N@@H+](CC)CN1c2ccccc2C(=O)C1=O)c1ccccc1 ZINC000774700477 1133879637 /nfs/dbraw/zinc/87/96/37/1133879637.db2.gz GWZSZUNOEWJSOD-MRXNPFEDSA-N 1 2 336.435 3.689 20 0 EHADLO COCCCC1(CNc2[nH+]c3ccccc3n2CCOC)CCC1 ZINC001184278177 1133922747 /nfs/dbraw/zinc/92/27/47/1133922747.db2.gz PSIXTOWCPBTPCD-UHFFFAOYSA-N 1 2 331.460 3.692 20 0 EHADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ns1 ZINC000774770472 1133968893 /nfs/dbraw/zinc/96/88/93/1133968893.db2.gz SUHYATDQUMPVBS-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)ns1 ZINC000774770472 1133968897 /nfs/dbraw/zinc/96/88/97/1133968897.db2.gz SUHYATDQUMPVBS-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000746671729 1133990828 /nfs/dbraw/zinc/99/08/28/1133990828.db2.gz NUCCBCROIXELTC-INIZCTEOSA-N 1 2 335.451 3.802 20 0 EHADLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000746671729 1133990833 /nfs/dbraw/zinc/99/08/33/1133990833.db2.gz NUCCBCROIXELTC-INIZCTEOSA-N 1 2 335.451 3.802 20 0 EHADLO CC[C@H](SC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245483 1134100662 /nfs/dbraw/zinc/10/06/62/1134100662.db2.gz RIBQDWULYDFGKH-CJNGLKHVSA-N 1 2 335.517 3.573 20 0 EHADLO CC[C@H](SC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245483 1134100665 /nfs/dbraw/zinc/10/06/65/1134100665.db2.gz RIBQDWULYDFGKH-CJNGLKHVSA-N 1 2 335.517 3.573 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788251516 1134101704 /nfs/dbraw/zinc/10/17/04/1134101704.db2.gz XPUCKIDTVZQVNR-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788251516 1134101708 /nfs/dbraw/zinc/10/17/08/1134101708.db2.gz XPUCKIDTVZQVNR-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc4ccccc4c(Cl)n3)C2)n[nH]1 ZINC000788490261 1134131052 /nfs/dbraw/zinc/13/10/52/1134131052.db2.gz ZPSYDOPPUKSWPP-CQSZACIVSA-N 1 2 341.846 3.694 20 0 EHADLO Cc1cc(N[C@@H](c2cn[nH]n2)c2ccc(F)cc2)ccc1[NH+](C)C ZINC000788725510 1134163222 /nfs/dbraw/zinc/16/32/22/1134163222.db2.gz HPVNQGRGVFGEGR-GOSISDBHSA-N 1 2 325.391 3.520 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccccc1SC(C)(C)C ZINC000788753900 1134165385 /nfs/dbraw/zinc/16/53/85/1134165385.db2.gz NMPZDJIRLRLDLW-CYBMUJFWSA-N 1 2 345.516 3.825 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1c(F)cc(F)cc1F ZINC001186057146 1134166639 /nfs/dbraw/zinc/16/66/39/1134166639.db2.gz MXWWHAGLBMBTKR-UHFFFAOYSA-N 1 2 346.312 3.993 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC001186338527 1134204766 /nfs/dbraw/zinc/20/47/66/1134204766.db2.gz MVGBPNIVLUVYEH-QAPCUYQASA-N 1 2 331.460 3.603 20 0 EHADLO C[C@@H](CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C)OCc1ccccc1 ZINC000789082520 1134219942 /nfs/dbraw/zinc/21/99/42/1134219942.db2.gz IHEUODNDMMFXIH-FXAWDEMLSA-N 1 2 341.451 3.828 20 0 EHADLO COC(=O)[C@@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C[C@H]1C1CC1 ZINC001186871996 1134264860 /nfs/dbraw/zinc/26/48/60/1134264860.db2.gz HVILDSNEOLFUPW-LSDHHAIUSA-N 1 2 345.487 3.533 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000789378326 1134265579 /nfs/dbraw/zinc/26/55/79/1134265579.db2.gz OXMWNOWIBPLZIN-IHRRRGAJSA-N 1 2 328.239 3.559 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000789378326 1134265581 /nfs/dbraw/zinc/26/55/81/1134265581.db2.gz OXMWNOWIBPLZIN-IHRRRGAJSA-N 1 2 328.239 3.559 20 0 EHADLO COC(=O)[C@]12CN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C[C@H]1CCCC2 ZINC001186865163 1134270947 /nfs/dbraw/zinc/27/09/47/1134270947.db2.gz WXEATQSVCGJQKO-FOIQADDNSA-N 1 2 345.487 3.893 20 0 EHADLO C[C@@H]1C(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000789526316 1134290671 /nfs/dbraw/zinc/29/06/71/1134290671.db2.gz BYHUTMYQJXFWEM-BBRMVZONSA-N 1 2 340.389 3.828 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC000789740381 1134331167 /nfs/dbraw/zinc/33/11/67/1134331167.db2.gz FVUHXCDQDZBIKU-CQSZACIVSA-N 1 2 329.444 3.609 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC000789740381 1134331174 /nfs/dbraw/zinc/33/11/74/1134331174.db2.gz FVUHXCDQDZBIKU-CQSZACIVSA-N 1 2 329.444 3.609 20 0 EHADLO Cc1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)O2)nc(C2CCC2)[nH+]1 ZINC001187541746 1134348092 /nfs/dbraw/zinc/34/80/92/1134348092.db2.gz NOBUYOZKOBLPJD-QWHCGFSZSA-N 1 2 329.366 3.964 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008339 1134359944 /nfs/dbraw/zinc/35/99/44/1134359944.db2.gz SCKKJYDGNSGBTF-CHWSQXEVSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008339 1134359950 /nfs/dbraw/zinc/35/99/50/1134359950.db2.gz SCKKJYDGNSGBTF-CHWSQXEVSA-N 1 2 349.887 3.532 20 0 EHADLO C[S@](=O)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000155720663 1134375644 /nfs/dbraw/zinc/37/56/44/1134375644.db2.gz MAAVCQAADNJMRP-GAJHUEQPSA-N 1 2 342.489 3.760 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccc4c(c3)CCO4)c2)[nH+]c1C ZINC000746882511 1134375849 /nfs/dbraw/zinc/37/58/49/1134375849.db2.gz ARDFVTLVUOGRPK-UHFFFAOYSA-N 1 2 347.418 3.810 20 0 EHADLO Cc1c[nH]cc1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001187805835 1134383556 /nfs/dbraw/zinc/38/35/56/1134383556.db2.gz FYTFCPAHZBQHQJ-HNNXBMFYSA-N 1 2 340.254 3.663 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC001187984876 1134408184 /nfs/dbraw/zinc/40/81/84/1134408184.db2.gz YUQQOXOECVBPCA-INIZCTEOSA-N 1 2 329.375 3.604 20 0 EHADLO CC(C)[C@H]1C[C@@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000790504788 1134428196 /nfs/dbraw/zinc/42/81/96/1134428196.db2.gz OMIXFBZCNPPNGT-WBQJQJEBSA-N 1 2 332.488 3.916 20 0 EHADLO CN(C)c1ccc(NCc2cnn(Cc3ccccc3)c2Cl)[nH+]c1 ZINC000790550442 1134433703 /nfs/dbraw/zinc/43/37/03/1134433703.db2.gz KHFDFLGBTZTWCD-UHFFFAOYSA-N 1 2 341.846 3.658 20 0 EHADLO O=C(NCc1c[nH+]c2ccc(F)cn12)Nc1cccc(Cl)c1F ZINC001188433731 1134462805 /nfs/dbraw/zinc/46/28/05/1134462805.db2.gz KBYFOBIMTPZJRC-UHFFFAOYSA-N 1 2 336.729 3.588 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)nn1 ZINC000790976500 1134493838 /nfs/dbraw/zinc/49/38/38/1134493838.db2.gz GFORUELLIWJDME-INIZCTEOSA-N 1 2 326.444 3.569 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772770950 1134522050 /nfs/dbraw/zinc/52/20/50/1134522050.db2.gz IXPRGVXBDGPTSA-AWEZNQCLSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(N)c(Cl)c1 ZINC000791392962 1134543253 /nfs/dbraw/zinc/54/32/53/1134543253.db2.gz YCOLXLQMZJZVLZ-UHFFFAOYSA-N 1 2 341.798 3.773 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@H](C)c1ccncc1 ZINC000791417692 1134548497 /nfs/dbraw/zinc/54/84/97/1134548497.db2.gz FWGVQMIBIPQJOB-INIZCTEOSA-N 1 2 335.407 3.813 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000791445604 1134552041 /nfs/dbraw/zinc/55/20/41/1134552041.db2.gz NBJYQCWKHIZOMW-UHFFFAOYSA-N 1 2 349.390 3.516 20 0 EHADLO Nc1cc(COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc[nH+]1 ZINC000791448390 1134552851 /nfs/dbraw/zinc/55/28/51/1134552851.db2.gz MCBFFWIXMLFWTG-UHFFFAOYSA-N 1 2 331.586 3.981 20 0 EHADLO Nc1cc(COC(=O)c2cccnc2Sc2ccccc2)cc[nH+]1 ZINC000791472930 1134561372 /nfs/dbraw/zinc/56/13/72/1134561372.db2.gz KFOZTLDNGACSCP-UHFFFAOYSA-N 1 2 337.404 3.567 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000791535245 1134565335 /nfs/dbraw/zinc/56/53/35/1134565335.db2.gz YVLQPWKNQKYRFK-GDIGMMSISA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)c1ccccc1 ZINC000791535245 1134565340 /nfs/dbraw/zinc/56/53/40/1134565340.db2.gz YVLQPWKNQKYRFK-GDIGMMSISA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791552453 1134572620 /nfs/dbraw/zinc/57/26/20/1134572620.db2.gz IDTHBJYMWKOWLA-QEEYODRMSA-N 1 2 338.451 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791552453 1134572633 /nfs/dbraw/zinc/57/26/33/1134572633.db2.gz IDTHBJYMWKOWLA-QEEYODRMSA-N 1 2 338.451 3.666 20 0 EHADLO CCc1c(NC(=O)c2cccc3[nH+]ccn32)cnn1-c1ccccc1C ZINC000791599259 1134581318 /nfs/dbraw/zinc/58/13/18/1134581318.db2.gz KTSHPOJQFJFPDI-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO CC(C)Cc1ccc(C(=O)CCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791716453 1134593674 /nfs/dbraw/zinc/59/36/74/1134593674.db2.gz KXCFQLCKCSBWQW-UHFFFAOYSA-N 1 2 340.423 3.569 20 0 EHADLO Nc1cc(COC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc[nH+]1 ZINC000791732699 1134597172 /nfs/dbraw/zinc/59/71/72/1134597172.db2.gz KFUWQGNLODRDQH-IBGZPJMESA-N 1 2 334.375 3.527 20 0 EHADLO Nc1cc(COC(=O)c2csc(-c3ccccc3Cl)n2)cc[nH+]1 ZINC000791837174 1134617867 /nfs/dbraw/zinc/61/78/67/1134617867.db2.gz CGZMWFIAZWTDDX-UHFFFAOYSA-N 1 2 345.811 3.798 20 0 EHADLO COc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001190034201 1134650349 /nfs/dbraw/zinc/65/03/49/1134650349.db2.gz FNCPAKQLWGRJKX-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO CN(Cc1cccc2cccnc21)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190096973 1134654917 /nfs/dbraw/zinc/65/49/17/1134654917.db2.gz GBWLFCKPPPWVGE-UHFFFAOYSA-N 1 2 342.402 3.693 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000775344377 1134656545 /nfs/dbraw/zinc/65/65/45/1134656545.db2.gz GSJPRKHFGPYXOJ-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000775344377 1134656546 /nfs/dbraw/zinc/65/65/46/1134656546.db2.gz GSJPRKHFGPYXOJ-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2ccccc2Cl)Cc2ccccc2C1 ZINC001170247666 1134731525 /nfs/dbraw/zinc/73/15/25/1134731525.db2.gz JZKWILCUFRTMAQ-CQSZACIVSA-N 1 2 343.854 3.571 20 0 EHADLO Cc1nn(C[N@@H+](C)Cc2ccc(F)cc2C)c(C)c1Br ZINC000792710516 1134777342 /nfs/dbraw/zinc/77/73/42/1134777342.db2.gz BDVHCVJDDXGTOZ-UHFFFAOYSA-N 1 2 340.240 3.799 20 0 EHADLO Cc1nn(C[N@H+](C)Cc2ccc(F)cc2C)c(C)c1Br ZINC000792710516 1134777348 /nfs/dbraw/zinc/77/73/48/1134777348.db2.gz BDVHCVJDDXGTOZ-UHFFFAOYSA-N 1 2 340.240 3.799 20 0 EHADLO O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1cc[nH+]c2c1CCC2 ZINC001191561523 1134889097 /nfs/dbraw/zinc/88/90/97/1134889097.db2.gz LKFGSUYANAYZBS-UHFFFAOYSA-N 1 2 339.292 3.794 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000793255123 1134890365 /nfs/dbraw/zinc/89/03/65/1134890365.db2.gz LWWHQJAWRZTDDA-HXUWFJFHSA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000793255123 1134890372 /nfs/dbraw/zinc/89/03/72/1134890372.db2.gz LWWHQJAWRZTDDA-HXUWFJFHSA-N 1 2 349.434 3.661 20 0 EHADLO Fc1ncccc1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000793290049 1134896276 /nfs/dbraw/zinc/89/62/76/1134896276.db2.gz RADNXVLUVUNURP-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ccc(CSC(F)F)o2)o1 ZINC000793365508 1134911531 /nfs/dbraw/zinc/91/15/31/1134911531.db2.gz LZIUEHLYGBGVHH-UHFFFAOYSA-N 1 2 331.384 3.631 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(CSC(F)F)o2)o1 ZINC000793365508 1134911534 /nfs/dbraw/zinc/91/15/34/1134911534.db2.gz LZIUEHLYGBGVHH-UHFFFAOYSA-N 1 2 331.384 3.631 20 0 EHADLO O=C(OCCCCc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793367077 1134911809 /nfs/dbraw/zinc/91/18/09/1134911809.db2.gz RKZILEGAGPGERA-UHFFFAOYSA-N 1 2 327.409 3.509 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(F)c(Br)c1)C(C)(C)C ZINC001191730576 1134913431 /nfs/dbraw/zinc/91/34/31/1134913431.db2.gz CNDLUBYXYJQKJV-UHFFFAOYSA-N 1 2 346.240 3.752 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(F)c(Br)c1)C(C)(C)C ZINC001191730576 1134913435 /nfs/dbraw/zinc/91/34/35/1134913435.db2.gz CNDLUBYXYJQKJV-UHFFFAOYSA-N 1 2 346.240 3.752 20 0 EHADLO Cc1c(C)c(C)c(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)c(C)c1C ZINC001191789929 1134923249 /nfs/dbraw/zinc/92/32/49/1134923249.db2.gz QMHHVLWITODAQX-LJQANCHMSA-N 1 2 342.508 3.963 20 0 EHADLO Cc1c(C)c(C)c(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)c(C)c1C ZINC001191789929 1134923258 /nfs/dbraw/zinc/92/32/58/1134923258.db2.gz QMHHVLWITODAQX-LJQANCHMSA-N 1 2 342.508 3.963 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000793787602 1134989968 /nfs/dbraw/zinc/98/99/68/1134989968.db2.gz DGWBVAYJWLOMDT-AWEZNQCLSA-N 1 2 348.541 3.651 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000793787602 1134989969 /nfs/dbraw/zinc/98/99/69/1134989969.db2.gz DGWBVAYJWLOMDT-AWEZNQCLSA-N 1 2 348.541 3.651 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000793787604 1134990585 /nfs/dbraw/zinc/99/05/85/1134990585.db2.gz DGWBVAYJWLOMDT-CQSZACIVSA-N 1 2 348.541 3.651 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000793787604 1134990588 /nfs/dbraw/zinc/99/05/88/1134990588.db2.gz DGWBVAYJWLOMDT-CQSZACIVSA-N 1 2 348.541 3.651 20 0 EHADLO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1F ZINC001192689047 1135045394 /nfs/dbraw/zinc/04/53/94/1135045394.db2.gz BEHJZBFSEOWWAB-ZDUSSCGKSA-N 1 2 333.304 3.965 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cccnc1Oc1ccccc1 ZINC001192708250 1135049983 /nfs/dbraw/zinc/04/99/83/1135049983.db2.gz FUIHDBSRKOJYRH-UHFFFAOYSA-N 1 2 348.406 3.725 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000804553331 1135113309 /nfs/dbraw/zinc/11/33/09/1135113309.db2.gz PHIVOWVRTURBDW-UHFFFAOYSA-N 1 2 345.271 3.697 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001193272140 1135121266 /nfs/dbraw/zinc/12/12/66/1135121266.db2.gz FTJFCDZWGTZVQZ-QGZVFWFLSA-N 1 2 347.455 3.560 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001193272140 1135121268 /nfs/dbraw/zinc/12/12/68/1135121268.db2.gz FTJFCDZWGTZVQZ-QGZVFWFLSA-N 1 2 347.455 3.560 20 0 EHADLO C[C@H]1CN(C(=O)c2cc(Cl)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001129704733 1135140415 /nfs/dbraw/zinc/14/04/15/1135140415.db2.gz ZCMYLXLRAXIUQY-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@H]1CN(C(=O)c2cc(Cl)cs2)CC[N@H+]1Cc1ccccc1 ZINC001129704733 1135140418 /nfs/dbraw/zinc/14/04/18/1135140418.db2.gz ZCMYLXLRAXIUQY-ZDUSSCGKSA-N 1 2 334.872 3.748 20 0 EHADLO O=C(OC1CCCCC1)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001193621710 1135160759 /nfs/dbraw/zinc/16/07/59/1135160759.db2.gz NEYNVNLEBULLOC-UHFFFAOYSA-N 1 2 339.439 3.826 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3cc(C)ccc3Br)ccn12 ZINC001129784935 1135162000 /nfs/dbraw/zinc/16/20/00/1135162000.db2.gz BTLAALQZTORDDU-UHFFFAOYSA-N 1 2 345.196 3.933 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000805016804 1135224668 /nfs/dbraw/zinc/22/46/68/1135224668.db2.gz VWBHGHSMKBZKHR-UWJYYQICSA-N 1 2 349.478 3.795 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001194205308 1135243351 /nfs/dbraw/zinc/24/33/51/1135243351.db2.gz LSCKHDGHUKXDOZ-UHFFFAOYSA-N 1 2 333.407 3.877 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H]3c3cccnc3)cc12 ZINC000805747071 1135316975 /nfs/dbraw/zinc/31/69/75/1135316975.db2.gz RCAVJYBPKYSESA-MRXNPFEDSA-N 1 2 341.846 3.662 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H]3c3cccnc3)cc12 ZINC000805747071 1135316977 /nfs/dbraw/zinc/31/69/77/1135316977.db2.gz RCAVJYBPKYSESA-MRXNPFEDSA-N 1 2 341.846 3.662 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)c3ccccc3)CC2)cs1 ZINC000805866092 1135341666 /nfs/dbraw/zinc/34/16/66/1135341666.db2.gz GSGPHYRKRWMDIG-AWEZNQCLSA-N 1 2 344.480 3.968 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+](CC2CCCCC2)C2CC2)c1=S ZINC000101536312 1135349108 /nfs/dbraw/zinc/34/91/08/1135349108.db2.gz NAUKPVISGNAWCI-UHFFFAOYSA-N 1 2 348.438 3.979 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+](CC2CCCCC2)C2CC2)c1=S ZINC000101536312 1135349113 /nfs/dbraw/zinc/34/91/13/1135349113.db2.gz NAUKPVISGNAWCI-UHFFFAOYSA-N 1 2 348.438 3.979 20 0 EHADLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000775642949 1135381867 /nfs/dbraw/zinc/38/18/67/1135381867.db2.gz QEOHBMIONOHHKW-OAHLLOKOSA-N 1 2 348.830 3.596 20 0 EHADLO Fc1ccccc1NC(=S)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001195772907 1135463803 /nfs/dbraw/zinc/46/38/03/1135463803.db2.gz CSYOENKJLFXTKL-UHFFFAOYSA-N 1 2 326.400 3.879 20 0 EHADLO COc1ccc2cc(NC(=O)NCCCCn3cc[nH+]c3)ccc2c1 ZINC000806617971 1135471926 /nfs/dbraw/zinc/47/19/26/1135471926.db2.gz BCNWDXOGVURLQV-UHFFFAOYSA-N 1 2 338.411 3.647 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000806760427 1135486345 /nfs/dbraw/zinc/48/63/45/1135486345.db2.gz IBCRKLPBMJDNHJ-LJQANCHMSA-N 1 2 349.434 3.647 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000806776764 1135488377 /nfs/dbraw/zinc/48/83/77/1135488377.db2.gz POGAIXINCSTBIY-CQSZACIVSA-N 1 2 337.345 3.725 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC001195946759 1135499044 /nfs/dbraw/zinc/49/90/44/1135499044.db2.gz MWXWEHRHADMZHQ-UHFFFAOYSA-N 1 2 340.229 3.850 20 0 EHADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)sn1 ZINC001196030917 1135510386 /nfs/dbraw/zinc/51/03/86/1135510386.db2.gz DVZHDSDBQBKXRP-KRWDZBQOSA-N 1 2 344.480 3.893 20 0 EHADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)sn1 ZINC001196030917 1135510391 /nfs/dbraw/zinc/51/03/91/1135510391.db2.gz DVZHDSDBQBKXRP-KRWDZBQOSA-N 1 2 344.480 3.893 20 0 EHADLO CCn1c(C)nn(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000102390898 1135539996 /nfs/dbraw/zinc/53/99/96/1135539996.db2.gz DZUVRRHOOMCOLH-QGZVFWFLSA-N 1 2 328.485 3.852 20 0 EHADLO CCn1c(C)nn(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000102390898 1135540002 /nfs/dbraw/zinc/54/00/02/1135540002.db2.gz DZUVRRHOOMCOLH-QGZVFWFLSA-N 1 2 328.485 3.852 20 0 EHADLO CCc1cc(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)cc[nH+]1 ZINC001196416643 1135561002 /nfs/dbraw/zinc/56/10/02/1135561002.db2.gz NLDZGIFMJQYPKA-UHFFFAOYSA-N 1 2 346.839 3.673 20 0 EHADLO Clc1cccc(C2(c3noc(CCn4cc[nH+]c4)n3)CCC2)c1 ZINC000867177736 1135568518 /nfs/dbraw/zinc/56/85/18/1135568518.db2.gz ZFUUJRTWANZFGW-UHFFFAOYSA-N 1 2 328.803 3.632 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C[C@@H](C)C3CC3)n2)C1 ZINC000867183446 1135583913 /nfs/dbraw/zinc/58/39/13/1135583913.db2.gz GBTHJUKEWXGFHP-QAPCUYQASA-N 1 2 341.455 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C[C@@H](C)C3CC3)n2)C1 ZINC000867183446 1135583919 /nfs/dbraw/zinc/58/39/19/1135583919.db2.gz GBTHJUKEWXGFHP-QAPCUYQASA-N 1 2 341.455 3.540 20 0 EHADLO CC(C)Oc1c(F)ccc(C(=O)Nc2cccc3[nH+]ccn32)c1F ZINC001196880269 1135620742 /nfs/dbraw/zinc/62/07/42/1135620742.db2.gz IPXGZUUVGDYEPP-UHFFFAOYSA-N 1 2 331.322 3.652 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182165 1135627644 /nfs/dbraw/zinc/62/76/44/1135627644.db2.gz FTQODBBEBWNBNG-QMEWPPBRSA-N 1 2 349.478 3.984 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182165 1135627646 /nfs/dbraw/zinc/62/76/46/1135627646.db2.gz FTQODBBEBWNBNG-QMEWPPBRSA-N 1 2 349.478 3.984 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(=S)s1 ZINC000747465750 1135631138 /nfs/dbraw/zinc/63/11/38/1135631138.db2.gz AQXRZJOWSLXZID-UKRRQHHQSA-N 1 2 349.525 3.983 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(=S)s1 ZINC000747465750 1135631140 /nfs/dbraw/zinc/63/11/40/1135631140.db2.gz AQXRZJOWSLXZID-UKRRQHHQSA-N 1 2 349.525 3.983 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](C[C@H](O)c2cccc3ccccc32)CCO1 ZINC001197096340 1135645527 /nfs/dbraw/zinc/64/55/27/1135645527.db2.gz VGAZRRLDICSDIQ-DLBZAZTESA-N 1 2 339.357 3.526 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](C[C@H](O)c2cccc3ccccc32)CCO1 ZINC001197096340 1135645528 /nfs/dbraw/zinc/64/55/28/1135645528.db2.gz VGAZRRLDICSDIQ-DLBZAZTESA-N 1 2 339.357 3.526 20 0 EHADLO COc1cccc(C[NH+]2CCN(Cc3ccccc3SC)CC2)c1 ZINC001197076749 1135647585 /nfs/dbraw/zinc/64/75/85/1135647585.db2.gz GUSOQFTUUYESIT-UHFFFAOYSA-N 1 2 342.508 3.735 20 0 EHADLO Cc1cc(C(=O)NCc2c[nH+]cn2C2CCC2)cc(C)c1OC(C)C ZINC001197247150 1135664523 /nfs/dbraw/zinc/66/45/23/1135664523.db2.gz DTKOFQUEYALIFU-UHFFFAOYSA-N 1 2 341.455 3.942 20 0 EHADLO FC(F)(F)c1ccccc1NC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001197233045 1135669454 /nfs/dbraw/zinc/66/94/54/1135669454.db2.gz WLBUGXMBRCHZPA-UHFFFAOYSA-N 1 2 337.370 3.820 20 0 EHADLO Cc1cc(NCCn2cc[nH+]c2)c2cc(Br)cc(F)c2n1 ZINC000543693764 1135701361 /nfs/dbraw/zinc/70/13/61/1135701361.db2.gz RHBHZIKWFRVBPM-UHFFFAOYSA-N 1 2 349.207 3.753 20 0 EHADLO CC[N@H+](Cc1ncccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197672619 1135720590 /nfs/dbraw/zinc/72/05/90/1135720590.db2.gz SHFJPTSZWQIRDP-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CC[N@@H+](Cc1ncccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197672619 1135720592 /nfs/dbraw/zinc/72/05/92/1135720592.db2.gz SHFJPTSZWQIRDP-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CCCC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccccc1F ZINC000747528373 1135740248 /nfs/dbraw/zinc/74/02/48/1135740248.db2.gz KMUOEZCHSBRZAV-UHFFFAOYSA-N 1 2 330.403 3.772 20 0 EHADLO CCCC[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccccc1F ZINC000747528373 1135740252 /nfs/dbraw/zinc/74/02/52/1135740252.db2.gz KMUOEZCHSBRZAV-UHFFFAOYSA-N 1 2 330.403 3.772 20 0 EHADLO CC[N@H+](Cc1cc(Cl)cc(Br)c1)C(C)(C)C(=O)OC ZINC001198041052 1135768582 /nfs/dbraw/zinc/76/85/82/1135768582.db2.gz AEORZQYZRUGYNG-UHFFFAOYSA-N 1 2 348.668 3.876 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1)C(C)(C)C(=O)OC ZINC001198041052 1135768584 /nfs/dbraw/zinc/76/85/84/1135768584.db2.gz AEORZQYZRUGYNG-UHFFFAOYSA-N 1 2 348.668 3.876 20 0 EHADLO Cc1cccc(C)c1NC(=S)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001198386008 1135807914 /nfs/dbraw/zinc/80/79/14/1135807914.db2.gz FPIWWKSGWIMKCL-INIZCTEOSA-N 1 2 340.496 3.654 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001198349921 1135808852 /nfs/dbraw/zinc/80/88/52/1135808852.db2.gz SWFBEFPUNBOJGM-INIZCTEOSA-N 1 2 327.453 3.549 20 0 EHADLO Brc1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000809348552 1135822385 /nfs/dbraw/zinc/82/23/85/1135822385.db2.gz BSTWWFREHQPJLP-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO CN(C)c1ccc(NC(=S)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001198756149 1135854104 /nfs/dbraw/zinc/85/41/04/1135854104.db2.gz GOPMEEVFQFDEBY-UHFFFAOYSA-N 1 2 337.452 3.747 20 0 EHADLO CC[N@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccc(F)cc1 ZINC000809549234 1135855084 /nfs/dbraw/zinc/85/50/84/1135855084.db2.gz HFWUQSIYWDXQRS-LBPRGKRZSA-N 1 2 336.432 3.911 20 0 EHADLO CC[N@@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccc(F)cc1 ZINC000809549234 1135855087 /nfs/dbraw/zinc/85/50/87/1135855087.db2.gz HFWUQSIYWDXQRS-LBPRGKRZSA-N 1 2 336.432 3.911 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC001203919571 1135863763 /nfs/dbraw/zinc/86/37/63/1135863763.db2.gz ZGXMISNMXLDDFY-UHFFFAOYSA-N 1 2 336.863 3.925 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1ccc(Cl)cc1 ZINC001203919571 1135863766 /nfs/dbraw/zinc/86/37/66/1135863766.db2.gz ZGXMISNMXLDDFY-UHFFFAOYSA-N 1 2 336.863 3.925 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001170586438 1135884046 /nfs/dbraw/zinc/88/40/46/1135884046.db2.gz KBICVLNQJRSNDA-NZSAHSFTSA-N 1 2 335.488 3.818 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccccc2)cnc1F ZINC001199730349 1135923738 /nfs/dbraw/zinc/92/37/38/1135923738.db2.gz XDWAYBXSMWFXFG-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)c3ccc(F)cc3C)ccc2[nH+]1 ZINC001199767578 1135927277 /nfs/dbraw/zinc/92/72/77/1135927277.db2.gz IHVVWPYYORIRCR-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1-c1ccccc1 ZINC000776033995 1135940380 /nfs/dbraw/zinc/94/03/80/1135940380.db2.gz WAFVWUCHMAETPX-CYBMUJFWSA-N 1 2 348.406 3.512 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccnc(Cl)c1C ZINC000810291638 1135953232 /nfs/dbraw/zinc/95/32/32/1135953232.db2.gz RZRZTZDZQGYJDB-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2ccn(CC)n2)c(OC(F)F)c1 ZINC001200972087 1135969829 /nfs/dbraw/zinc/96/98/29/1135969829.db2.gz UOTRUTKUJDUCSU-UHFFFAOYSA-N 1 2 339.386 3.583 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1cccc(Cl)c1 ZINC000810542052 1135974766 /nfs/dbraw/zinc/97/47/66/1135974766.db2.gz ULSZZPIHQVNNEG-UHFFFAOYSA-N 1 2 340.810 3.871 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC001132371450 1135986933 /nfs/dbraw/zinc/98/69/33/1135986933.db2.gz FVOIBRYLJMYBHD-LJQANCHMSA-N 1 2 346.515 3.528 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC001132371450 1135986935 /nfs/dbraw/zinc/98/69/35/1135986935.db2.gz FVOIBRYLJMYBHD-LJQANCHMSA-N 1 2 346.515 3.528 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(Cl)c1OC ZINC001201133583 1135987296 /nfs/dbraw/zinc/98/72/96/1135987296.db2.gz PMQFHZGZTZXEIB-UHFFFAOYSA-N 1 2 349.862 3.959 20 0 EHADLO COC(=O)c1cccc(Oc2ccc(Nc3ccc(N)[nH+]c3)cc2)c1 ZINC001201291936 1136001632 /nfs/dbraw/zinc/00/16/32/1136001632.db2.gz PLDFBBIQLLAGPR-UHFFFAOYSA-N 1 2 335.363 3.986 20 0 EHADLO CCOC(=O)c1c2c(sc1Nc1ccc(N)[nH+]c1)CCCCC2 ZINC001201271928 1136002632 /nfs/dbraw/zinc/00/26/32/1136002632.db2.gz GFBBNZPMZLRTCQ-UHFFFAOYSA-N 1 2 331.441 3.915 20 0 EHADLO CC(C)(C)N(c1ccc(N)[nH+]c1)c1ccc(Br)cc1N ZINC001201300678 1136004517 /nfs/dbraw/zinc/00/45/17/1136004517.db2.gz URIYEJIISTWMGY-UHFFFAOYSA-N 1 2 335.249 3.945 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000121578210 1136017693 /nfs/dbraw/zinc/01/76/93/1136017693.db2.gz ZIHHLZZDVLHMSW-OBEJXRGXSA-N 1 2 342.826 3.818 20 0 EHADLO O=c1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(Cl)[nH]1 ZINC001201474493 1136031750 /nfs/dbraw/zinc/03/17/50/1136031750.db2.gz HLJWTYQGZKPYGF-CABCVRRESA-N 1 2 342.830 3.568 20 0 EHADLO O=c1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(Cl)[nH]1 ZINC001201474493 1136031754 /nfs/dbraw/zinc/03/17/54/1136031754.db2.gz HLJWTYQGZKPYGF-CABCVRRESA-N 1 2 342.830 3.568 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)c(Cl)c1 ZINC001203979027 1136070847 /nfs/dbraw/zinc/07/08/47/1136070847.db2.gz FFIBFMJQLITKIJ-ZDUSSCGKSA-N 1 2 326.227 3.508 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c(Cl)c1 ZINC001203979027 1136070851 /nfs/dbraw/zinc/07/08/51/1136070851.db2.gz FFIBFMJQLITKIJ-ZDUSSCGKSA-N 1 2 326.227 3.508 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Cl)cc1 ZINC001132814822 1136087672 /nfs/dbraw/zinc/08/76/72/1136087672.db2.gz CXFAKNKLSBPSSU-QGZVFWFLSA-N 1 2 325.799 3.708 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1Cl ZINC001132815218 1136087846 /nfs/dbraw/zinc/08/78/46/1136087846.db2.gz IFYZEXKDBUZZQQ-QGZVFWFLSA-N 1 2 325.799 3.708 20 0 EHADLO C[N@@H+](Cc1ccnc(Cl)c1Cl)C[C@H]1COc2ccccc2O1 ZINC000811453793 1136089135 /nfs/dbraw/zinc/08/91/35/1136089135.db2.gz QZOHSEPKSBUNSI-LBPRGKRZSA-N 1 2 339.222 3.660 20 0 EHADLO C[N@H+](Cc1ccnc(Cl)c1Cl)C[C@H]1COc2ccccc2O1 ZINC000811453793 1136089136 /nfs/dbraw/zinc/08/91/36/1136089136.db2.gz QZOHSEPKSBUNSI-LBPRGKRZSA-N 1 2 339.222 3.660 20 0 EHADLO Cc1cc(NC(=O)NCCc2ccc(Cl)cc2Cl)c(C)c[nH+]1 ZINC001202243628 1136119277 /nfs/dbraw/zinc/11/92/77/1136119277.db2.gz AEDLVRMCAHEHDW-UHFFFAOYSA-N 1 2 338.238 3.791 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202301495 1136125517 /nfs/dbraw/zinc/12/55/17/1136125517.db2.gz FWOPNELSJJUZCV-UHFFFAOYSA-N 1 2 326.322 3.805 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000811749618 1136129559 /nfs/dbraw/zinc/12/95/59/1136129559.db2.gz WZUFECGGQJWRDI-ROUUACIJSA-N 1 2 344.524 3.689 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000811749618 1136129563 /nfs/dbraw/zinc/12/95/63/1136129563.db2.gz WZUFECGGQJWRDI-ROUUACIJSA-N 1 2 344.524 3.689 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811729127 1136131339 /nfs/dbraw/zinc/13/13/39/1136131339.db2.gz KDPWOZINRBHYGH-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811729127 1136131345 /nfs/dbraw/zinc/13/13/45/1136131345.db2.gz KDPWOZINRBHYGH-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO CC[N@H+](Cn1nc(-c2ccc(C)cc2)c(C)cc1=O)C1CCCC1 ZINC000811734880 1136132021 /nfs/dbraw/zinc/13/20/21/1136132021.db2.gz MJWXHYQGVICQEL-UHFFFAOYSA-N 1 2 325.456 3.749 20 0 EHADLO CC[N@@H+](Cn1nc(-c2ccc(C)cc2)c(C)cc1=O)C1CCCC1 ZINC000811734880 1136132023 /nfs/dbraw/zinc/13/20/23/1136132023.db2.gz MJWXHYQGVICQEL-UHFFFAOYSA-N 1 2 325.456 3.749 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3C[C@@H](C)CCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811750787 1136135363 /nfs/dbraw/zinc/13/53/63/1136135363.db2.gz FEAUMDYMFPQGTD-FUHWJXTLSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3C[C@@H](C)CCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811750787 1136135365 /nfs/dbraw/zinc/13/53/65/1136135365.db2.gz FEAUMDYMFPQGTD-FUHWJXTLSA-N 1 2 339.483 3.995 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1)CCC2 ZINC000811756711 1136136010 /nfs/dbraw/zinc/13/60/10/1136136010.db2.gz QZRDIUMTGTZRHI-PBHICJAKSA-N 1 2 347.528 3.619 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1)CCC2 ZINC000811756711 1136136013 /nfs/dbraw/zinc/13/60/13/1136136013.db2.gz QZRDIUMTGTZRHI-PBHICJAKSA-N 1 2 347.528 3.619 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC4(CCCC4)C3)c(=O)cc2C)cc1 ZINC000811752256 1136136183 /nfs/dbraw/zinc/13/61/83/1136136183.db2.gz LXDPYRGVOIFGRQ-UHFFFAOYSA-N 1 2 337.467 3.751 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC4(CCCC4)C3)c(=O)cc2C)cc1 ZINC000811752256 1136136185 /nfs/dbraw/zinc/13/61/85/1136136185.db2.gz LXDPYRGVOIFGRQ-UHFFFAOYSA-N 1 2 337.467 3.751 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ncsc2c1 ZINC001133032514 1136146045 /nfs/dbraw/zinc/14/60/45/1136146045.db2.gz DBOLTCSKOTVVCG-KRWDZBQOSA-N 1 2 348.431 3.664 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C[C@H](c3cccc(Cl)c3)CC2=O)c1 ZINC000812286942 1136191586 /nfs/dbraw/zinc/19/15/86/1136191586.db2.gz HOEZFFVBLJFDEB-QGZVFWFLSA-N 1 2 345.874 3.567 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C[C@H](c3cccc(Cl)c3)CC2=O)c1 ZINC000812286942 1136191588 /nfs/dbraw/zinc/19/15/88/1136191588.db2.gz HOEZFFVBLJFDEB-QGZVFWFLSA-N 1 2 345.874 3.567 20 0 EHADLO CCCc1cc(N[C@@H](C)[C@H](O)c2cccc(O)c2)nc(CCC)[nH+]1 ZINC001170674410 1136193828 /nfs/dbraw/zinc/19/38/28/1136193828.db2.gz YHZNTZCQHQKZRE-DJJJIMSYSA-N 1 2 329.444 3.621 20 0 EHADLO FC(F)(F)c1cncc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000812830384 1136256179 /nfs/dbraw/zinc/25/61/79/1136256179.db2.gz VPQRUHJELNLXAZ-UHFFFAOYSA-N 1 2 332.329 3.576 20 0 EHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000850571777 1136288992 /nfs/dbraw/zinc/28/89/92/1136288992.db2.gz AKIYBHBBCMZSQP-LBPRGKRZSA-N 1 2 326.387 3.975 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001133682090 1136311761 /nfs/dbraw/zinc/31/17/61/1136311761.db2.gz JVOGCYDWVKEXAM-UHFFFAOYSA-N 1 2 346.430 3.729 20 0 EHADLO CO[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000851011552 1136328059 /nfs/dbraw/zinc/32/80/59/1136328059.db2.gz AFJYQNHNKXXFIP-GOSISDBHSA-N 1 2 340.423 3.607 20 0 EHADLO C[C@H](Cc1ccsc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000851149600 1136343370 /nfs/dbraw/zinc/34/33/70/1136343370.db2.gz STEDZVVWKQWPBY-OAHLLOKOSA-N 1 2 340.448 3.710 20 0 EHADLO C[N@@H+]1CCCc2cc(N[C@H](c3nc[nH]n3)C3CCCCC3)ccc21 ZINC000813867065 1136368956 /nfs/dbraw/zinc/36/89/56/1136368956.db2.gz AWNSLMQHRMSZCD-SFHVURJKSA-N 1 2 325.460 3.921 20 0 EHADLO C[N@H+]1CCCc2cc(N[C@H](c3nc[nH]n3)C3CCCCC3)ccc21 ZINC000813867065 1136368960 /nfs/dbraw/zinc/36/89/60/1136368960.db2.gz AWNSLMQHRMSZCD-SFHVURJKSA-N 1 2 325.460 3.921 20 0 EHADLO C[C@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000851399215 1136376569 /nfs/dbraw/zinc/37/65/69/1136376569.db2.gz PIHHBBTXSXOKEW-HNNXBMFYSA-N 1 2 342.414 3.784 20 0 EHADLO CC(C)c1ncsc1C(=O)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851469039 1136382195 /nfs/dbraw/zinc/38/21/95/1136382195.db2.gz HQQKIZYQBDMZHG-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)c1ncsc1C(=O)OC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000851469039 1136382198 /nfs/dbraw/zinc/38/21/98/1136382198.db2.gz HQQKIZYQBDMZHG-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000265945849 1136382750 /nfs/dbraw/zinc/38/27/50/1136382750.db2.gz KZBJYFZMGHQAFN-QGZVFWFLSA-N 1 2 329.488 3.647 20 0 EHADLO O=C(OC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000851469762 1136382877 /nfs/dbraw/zinc/38/28/77/1136382877.db2.gz WNDBATLEKHTHME-YLJYHZDGSA-N 1 2 349.430 3.564 20 0 EHADLO O=C(OC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000851469762 1136382882 /nfs/dbraw/zinc/38/28/82/1136382882.db2.gz WNDBATLEKHTHME-YLJYHZDGSA-N 1 2 349.430 3.564 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(Cl)nc1 ZINC000851731770 1136402234 /nfs/dbraw/zinc/40/22/34/1136402234.db2.gz BOBQXNUSWKUWCY-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(Cl)nc1 ZINC000851731770 1136402239 /nfs/dbraw/zinc/40/22/39/1136402239.db2.gz BOBQXNUSWKUWCY-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747986 1136404963 /nfs/dbraw/zinc/40/49/63/1136404963.db2.gz MJVOQFNOSREEDT-QZTJIDSGSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747986 1136404964 /nfs/dbraw/zinc/40/49/64/1136404964.db2.gz MJVOQFNOSREEDT-QZTJIDSGSA-N 1 2 325.399 3.543 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2cnon2)CC1 ZINC000852009098 1136427182 /nfs/dbraw/zinc/42/71/82/1136427182.db2.gz YJAKDWJKMFMRDN-UHFFFAOYSA-N 1 2 329.297 3.549 20 0 EHADLO Fc1cc([C@H]2CCC[N@H+]2CCOC(F)F)ccc1Br ZINC000852006083 1136427411 /nfs/dbraw/zinc/42/74/11/1136427411.db2.gz DWBNDECNSXLGRN-GFCCVEGCSA-N 1 2 338.167 3.964 20 0 EHADLO Fc1cc([C@H]2CCC[N@@H+]2CCOC(F)F)ccc1Br ZINC000852006083 1136427412 /nfs/dbraw/zinc/42/74/12/1136427412.db2.gz DWBNDECNSXLGRN-GFCCVEGCSA-N 1 2 338.167 3.964 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000814288622 1136434465 /nfs/dbraw/zinc/43/44/65/1136434465.db2.gz BRFZUBDJCMDIPG-JCNLHEQBSA-N 1 2 326.444 3.640 20 0 EHADLO CC(C)CCCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000747933792 1136439856 /nfs/dbraw/zinc/43/98/56/1136439856.db2.gz DEQDWNHXYLANGM-UHFFFAOYSA-N 1 2 332.488 3.643 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)c1 ZINC000852323399 1136448564 /nfs/dbraw/zinc/44/85/64/1136448564.db2.gz HVPCZTHFLXHUSJ-KUHUBIRLSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)c1 ZINC000852323399 1136448566 /nfs/dbraw/zinc/44/85/66/1136448566.db2.gz HVPCZTHFLXHUSJ-KUHUBIRLSA-N 1 2 327.428 3.607 20 0 EHADLO CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478367 1136458878 /nfs/dbraw/zinc/45/88/78/1136458878.db2.gz TZNAJDVPDNSMGW-UONOGXRCSA-N 1 2 345.409 3.964 20 0 EHADLO CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478367 1136458880 /nfs/dbraw/zinc/45/88/80/1136458880.db2.gz TZNAJDVPDNSMGW-UONOGXRCSA-N 1 2 345.409 3.964 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000852546781 1136464998 /nfs/dbraw/zinc/46/49/98/1136464998.db2.gz KDWRULWBCHKMOT-OALUTQOASA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@H](O)c1cccc(F)c1 ZINC000852546781 1136465000 /nfs/dbraw/zinc/46/50/00/1136465000.db2.gz KDWRULWBCHKMOT-OALUTQOASA-N 1 2 347.405 3.850 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C2 ZINC000852551019 1136466240 /nfs/dbraw/zinc/46/62/40/1136466240.db2.gz KYSXFVQPXASVOB-UHFFFAOYSA-N 1 2 349.352 3.999 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C2 ZINC000852551019 1136466243 /nfs/dbraw/zinc/46/62/43/1136466243.db2.gz KYSXFVQPXASVOB-UHFFFAOYSA-N 1 2 349.352 3.999 20 0 EHADLO Cc1nn(Cc2ccc3ccccc3c2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852963668 1136494317 /nfs/dbraw/zinc/49/43/17/1136494317.db2.gz WQUQJERNSLEMFH-FQEVSTJZSA-N 1 2 335.451 3.705 20 0 EHADLO Cc1nn(Cc2ccc3ccccc3c2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852963668 1136494321 /nfs/dbraw/zinc/49/43/21/1136494321.db2.gz WQUQJERNSLEMFH-FQEVSTJZSA-N 1 2 335.451 3.705 20 0 EHADLO Cc1nn(Cc2cccc(C(C)C)c2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852964350 1136494389 /nfs/dbraw/zinc/49/43/89/1136494389.db2.gz RHDFQXHPULRLBK-LJQANCHMSA-N 1 2 327.472 3.675 20 0 EHADLO Cc1nn(Cc2cccc(C(C)C)c2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852964350 1136494393 /nfs/dbraw/zinc/49/43/93/1136494393.db2.gz RHDFQXHPULRLBK-LJQANCHMSA-N 1 2 327.472 3.675 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)n1 ZINC000747971942 1136500191 /nfs/dbraw/zinc/50/01/91/1136500191.db2.gz XJYFLZOCYMSUIY-JKSUJKDBSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)n1 ZINC000747971942 1136500194 /nfs/dbraw/zinc/50/01/94/1136500194.db2.gz XJYFLZOCYMSUIY-JKSUJKDBSA-N 1 2 328.460 3.521 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccsc2Cl)[nH+]1 ZINC000853106698 1136509639 /nfs/dbraw/zinc/50/96/39/1136509639.db2.gz FZWZSMNHLBLMHU-UHFFFAOYSA-N 1 2 339.844 3.911 20 0 EHADLO COc1ccccc1[C@H](O)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000853238057 1136520967 /nfs/dbraw/zinc/52/09/67/1136520967.db2.gz PRXODWCMMGHSLJ-DLBZAZTESA-N 1 2 335.394 3.585 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000853488806 1136536982 /nfs/dbraw/zinc/53/69/82/1136536982.db2.gz SYLLLPDEWLQWQD-OAHLLOKOSA-N 1 2 334.391 3.777 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000853488806 1136536985 /nfs/dbraw/zinc/53/69/85/1136536985.db2.gz SYLLLPDEWLQWQD-OAHLLOKOSA-N 1 2 334.391 3.777 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)no1 ZINC000815019504 1136538383 /nfs/dbraw/zinc/53/83/83/1136538383.db2.gz NZSLZSBZHFZZKE-OALUTQOASA-N 1 2 337.423 3.792 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)no1 ZINC000815019504 1136538385 /nfs/dbraw/zinc/53/83/85/1136538385.db2.gz NZSLZSBZHFZZKE-OALUTQOASA-N 1 2 337.423 3.792 20 0 EHADLO CC(C)[C@@H]1CCc2nc(NC(=O)C[C@H](C)n3cc[nH+]c3)sc2C1 ZINC001134833442 1136538914 /nfs/dbraw/zinc/53/89/14/1136538914.db2.gz NNDZFBGAASYDEV-QWHCGFSZSA-N 1 2 332.473 3.690 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563150 1136544627 /nfs/dbraw/zinc/54/46/27/1136544627.db2.gz MFLKSNFWZQCBIW-APWZRJJASA-N 1 2 334.435 3.577 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563150 1136544630 /nfs/dbraw/zinc/54/46/30/1136544630.db2.gz MFLKSNFWZQCBIW-APWZRJJASA-N 1 2 334.435 3.577 20 0 EHADLO Fc1ccccc1Nc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(=S)s1 ZINC000853576849 1136545891 /nfs/dbraw/zinc/54/58/91/1136545891.db2.gz GLXLRLPPGQXXHA-GHMZBOCLSA-N 1 2 336.461 3.856 20 0 EHADLO Fc1ccccc1Nc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(=S)s1 ZINC000853576849 1136545893 /nfs/dbraw/zinc/54/58/93/1136545893.db2.gz GLXLRLPPGQXXHA-GHMZBOCLSA-N 1 2 336.461 3.856 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000853592671 1136547488 /nfs/dbraw/zinc/54/74/88/1136547488.db2.gz AMRHDSHXZIZZBE-UHFFFAOYSA-N 1 2 341.480 3.738 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853610439 1136548774 /nfs/dbraw/zinc/54/87/74/1136548774.db2.gz RDOJHEFTQZFHGU-GFCCVEGCSA-N 1 2 338.427 3.508 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853610439 1136548776 /nfs/dbraw/zinc/54/87/76/1136548776.db2.gz RDOJHEFTQZFHGU-GFCCVEGCSA-N 1 2 338.427 3.508 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853607930 1136549244 /nfs/dbraw/zinc/54/92/44/1136549244.db2.gz YYWIPIRTVNQXTE-GFCCVEGCSA-N 1 2 334.407 3.931 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853607930 1136549247 /nfs/dbraw/zinc/54/92/47/1136549247.db2.gz YYWIPIRTVNQXTE-GFCCVEGCSA-N 1 2 334.407 3.931 20 0 EHADLO Cn1ncc(C[NH2+]C(C)(C)c2ccccc2Br)c1Cl ZINC000815132618 1136560208 /nfs/dbraw/zinc/56/02/08/1136560208.db2.gz GCTMBTHMLPXNKT-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO C[C@](O)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Cl)cc1 ZINC000815167228 1136565628 /nfs/dbraw/zinc/56/56/28/1136565628.db2.gz VLKUZJFIWZOZHM-GOSISDBHSA-N 1 2 341.798 3.576 20 0 EHADLO CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc2[nH+]ccn21 ZINC000776744595 1136621035 /nfs/dbraw/zinc/62/10/35/1136621035.db2.gz LVAVIDIDQXWVMV-UHFFFAOYSA-N 1 2 334.206 3.913 20 0 EHADLO CC(C)C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000776820788 1136710095 /nfs/dbraw/zinc/71/00/95/1136710095.db2.gz GCCOZUCVXIYKFA-KBPBESRZSA-N 1 2 331.464 3.587 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000113487847 1136713620 /nfs/dbraw/zinc/71/36/20/1136713620.db2.gz CDWHFENPMARIPT-MRXNPFEDSA-N 1 2 342.439 3.680 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000113487847 1136713624 /nfs/dbraw/zinc/71/36/24/1136713624.db2.gz CDWHFENPMARIPT-MRXNPFEDSA-N 1 2 342.439 3.680 20 0 EHADLO CC[N@H+](CC(=O)NCC1(SC)CCC1)Cc1ccccc1Cl ZINC000509485985 1136740016 /nfs/dbraw/zinc/74/00/16/1136740016.db2.gz ZLZAPIYEIKZPHG-UHFFFAOYSA-N 1 2 340.920 3.564 20 0 EHADLO CC[N@@H+](CC(=O)NCC1(SC)CCC1)Cc1ccccc1Cl ZINC000509485985 1136740019 /nfs/dbraw/zinc/74/00/19/1136740019.db2.gz ZLZAPIYEIKZPHG-UHFFFAOYSA-N 1 2 340.920 3.564 20 0 EHADLO CON(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339726 1136777657 /nfs/dbraw/zinc/77/76/57/1136777657.db2.gz BEBHTBPTXKUTHY-NSHDSACASA-N 1 2 341.333 3.512 20 0 EHADLO CON(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339726 1136777661 /nfs/dbraw/zinc/77/76/61/1136777661.db2.gz BEBHTBPTXKUTHY-NSHDSACASA-N 1 2 341.333 3.512 20 0 EHADLO CON(C(=O)CCc1[nH]cc[nH+]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856342038 1136778181 /nfs/dbraw/zinc/77/81/81/1136778181.db2.gz RJTZWEISIDEQGM-NSHDSACASA-N 1 2 341.333 3.512 20 0 EHADLO Cc1cc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000817123185 1136781143 /nfs/dbraw/zinc/78/11/43/1136781143.db2.gz FCSOWBPXLWYJHB-UHFFFAOYSA-N 1 2 344.358 3.604 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)nn1C ZINC000817409260 1136805478 /nfs/dbraw/zinc/80/54/78/1136805478.db2.gz GMWTYXZUPOFOPZ-LJQANCHMSA-N 1 2 347.890 3.636 20 0 EHADLO COc1cccc2cc(C[NH2+]C(C)(C)c3cn(C(C)C)nn3)oc21 ZINC000817420339 1136807160 /nfs/dbraw/zinc/80/71/60/1136807160.db2.gz SAQOYKXDYWXTEG-UHFFFAOYSA-N 1 2 328.416 3.639 20 0 EHADLO O=C(Nc1ccc(OCc2ccncc2)cc1)c1cccc2[nH+]ccn21 ZINC000776898173 1136817403 /nfs/dbraw/zinc/81/74/03/1136817403.db2.gz PVJHWCOPMJHSSV-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO COc1ccc(NC(=S)NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000817563369 1136828160 /nfs/dbraw/zinc/82/81/60/1136828160.db2.gz XVXAQTZMABNIJE-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCc3ccc(Br)cc3C2)CCC1=O ZINC001170883150 1136852270 /nfs/dbraw/zinc/85/22/70/1136852270.db2.gz DKERRKLYVTYKLL-OAHLLOKOSA-N 1 2 336.273 3.607 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)CCC1=O ZINC001170883150 1136852272 /nfs/dbraw/zinc/85/22/72/1136852272.db2.gz DKERRKLYVTYKLL-OAHLLOKOSA-N 1 2 336.273 3.607 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)n2)cc1 ZINC000857872434 1136915905 /nfs/dbraw/zinc/91/59/05/1136915905.db2.gz MQUXFPIFTQHPML-QGZVFWFLSA-N 1 2 338.386 3.903 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)n2)cc1 ZINC000857872434 1136915906 /nfs/dbraw/zinc/91/59/06/1136915906.db2.gz MQUXFPIFTQHPML-QGZVFWFLSA-N 1 2 338.386 3.903 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(O)c(C(C)C)c1 ZINC000857988246 1136927183 /nfs/dbraw/zinc/92/71/83/1136927183.db2.gz DACPFCUENKHMHZ-MRXNPFEDSA-N 1 2 327.428 3.710 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000858011127 1136930168 /nfs/dbraw/zinc/93/01/68/1136930168.db2.gz KFWRRIZAHHEPFU-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000858011127 1136930169 /nfs/dbraw/zinc/93/01/69/1136930169.db2.gz KFWRRIZAHHEPFU-OAHLLOKOSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1cccc(COc2c(C)cc(C[NH2+]Cc3cnn[nH]3)cc2C)c1 ZINC000858198658 1136949129 /nfs/dbraw/zinc/94/91/29/1136949129.db2.gz PYXSZPJXVUJSKB-UHFFFAOYSA-N 1 2 336.439 3.599 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)[C@@H]2C ZINC001170931606 1136952757 /nfs/dbraw/zinc/95/27/57/1136952757.db2.gz QFFQKJGEKBRDEJ-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)[C@@H]2C ZINC001170931606 1136952760 /nfs/dbraw/zinc/95/27/60/1136952760.db2.gz QFFQKJGEKBRDEJ-UKRRQHHQSA-N 1 2 345.874 3.617 20 0 EHADLO CCCCc1oc2ccccc2c1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000819968668 1136967514 /nfs/dbraw/zinc/96/75/14/1136967514.db2.gz FRHPHKKPSSBIGT-UHFFFAOYSA-N 1 2 325.412 3.700 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccns2)nnn1-c1ccc(F)cc1 ZINC000858576830 1136979942 /nfs/dbraw/zinc/97/99/42/1136979942.db2.gz FQGUESPDZXJCTA-QWRGUYRKSA-N 1 2 331.420 3.583 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2c(c1)CCO2 ZINC000805748433 1136994171 /nfs/dbraw/zinc/99/41/71/1136994171.db2.gz OFDNBPNMBXZQJS-QWRGUYRKSA-N 1 2 348.244 3.586 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000820869783 1137007171 /nfs/dbraw/zinc/00/71/71/1137007171.db2.gz YBPJIXUQLCVLPL-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000820869783 1137007173 /nfs/dbraw/zinc/00/71/73/1137007173.db2.gz YBPJIXUQLCVLPL-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO Fc1cccc(-c2nnc(C[NH2+][C@H](c3ccccn3)C3CCC3)o2)c1 ZINC000859562657 1137020185 /nfs/dbraw/zinc/02/01/85/1137020185.db2.gz OHZQIICDLIOCDH-SFHVURJKSA-N 1 2 338.386 3.902 20 0 EHADLO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1nc2ccccc2o1 ZINC000821306384 1137021894 /nfs/dbraw/zinc/02/18/94/1137021894.db2.gz YGDDBNPZRHMBDF-JMPLFQLZSA-N 1 2 344.436 3.813 20 0 EHADLO O=C(Nc1cccc(F)c1F)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136432467 1137022083 /nfs/dbraw/zinc/02/20/83/1137022083.db2.gz RSKXDIDJOQOWIL-UHFFFAOYSA-N 1 2 342.349 3.526 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136511681 1137041906 /nfs/dbraw/zinc/04/19/06/1137041906.db2.gz JLKMWXXHQAURDM-AEFFLSMTSA-N 1 2 340.471 3.551 20 0 EHADLO CCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051880 1137052367 /nfs/dbraw/zinc/05/23/67/1137052367.db2.gz NVMBWISSEWIGBF-UHFFFAOYSA-N 1 2 348.796 3.849 20 0 EHADLO Cc1ccc(NC(=O)c2csc(C(F)(F)F)c2)c(N(C)C)[nH+]1 ZINC000860344805 1137056700 /nfs/dbraw/zinc/05/67/00/1137056700.db2.gz WJDMCCGRTFWUTJ-UHFFFAOYSA-N 1 2 329.347 3.789 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC001136581984 1137057077 /nfs/dbraw/zinc/05/70/77/1137057077.db2.gz PQGUIHREESZCKB-GOSISDBHSA-N 1 2 342.464 3.879 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC001136581984 1137057078 /nfs/dbraw/zinc/05/70/78/1137057078.db2.gz PQGUIHREESZCKB-GOSISDBHSA-N 1 2 342.464 3.879 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000117485974 1137060600 /nfs/dbraw/zinc/06/06/00/1137060600.db2.gz FZEFKKVUANLPFK-SFHVURJKSA-N 1 2 326.444 3.592 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000822479885 1137061735 /nfs/dbraw/zinc/06/17/35/1137061735.db2.gz UHJXBDJVPQTCJZ-MOPGFXCFSA-N 1 2 339.483 3.703 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)[C@@H]2C1 ZINC000822508264 1137063559 /nfs/dbraw/zinc/06/35/59/1137063559.db2.gz RBUNEWCUEBDHQU-BXUZGUMPSA-N 1 2 342.892 3.843 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cs3)[C@@H]2C1 ZINC000822508264 1137063561 /nfs/dbraw/zinc/06/35/61/1137063561.db2.gz RBUNEWCUEBDHQU-BXUZGUMPSA-N 1 2 342.892 3.843 20 0 EHADLO CCOCc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822740886 1137072605 /nfs/dbraw/zinc/07/26/05/1137072605.db2.gz UCVYEQWDKXNAAM-SFHVURJKSA-N 1 2 335.407 3.508 20 0 EHADLO C[C@H](CC(=O)OC[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000861009504 1137087473 /nfs/dbraw/zinc/08/74/73/1137087473.db2.gz HBGDPXZFKKOVEA-TZMCWYRMSA-N 1 2 326.318 3.724 20 0 EHADLO C[C@@H](CCC(C)(C)C)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823389314 1137097538 /nfs/dbraw/zinc/09/75/38/1137097538.db2.gz FETZTQKAPFPFBE-RYUDHWBXSA-N 1 2 325.453 3.731 20 0 EHADLO CS(=O)(=O)c1cccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000823447235 1137099790 /nfs/dbraw/zinc/09/97/90/1137099790.db2.gz FCJNYPAILFVARZ-UHFFFAOYSA-N 1 2 347.455 3.609 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3CCC=CCC3)CC2)c1 ZINC001136722748 1137100068 /nfs/dbraw/zinc/10/00/68/1137100068.db2.gz KRWHJJNZUFYRBW-KRWDZBQOSA-N 1 2 342.483 3.647 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)nn1-c1cc(C)cc(C)c1 ZINC000777176938 1137100966 /nfs/dbraw/zinc/10/09/66/1137100966.db2.gz RCDAVVDGOHDLPJ-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001136719240 1137101034 /nfs/dbraw/zinc/10/10/34/1137101034.db2.gz WIIUUYDTMWFBOH-MRXNPFEDSA-N 1 2 333.435 3.668 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001136719240 1137101035 /nfs/dbraw/zinc/10/10/35/1137101035.db2.gz WIIUUYDTMWFBOH-MRXNPFEDSA-N 1 2 333.435 3.668 20 0 EHADLO Fc1c(C[NH2+]Cc2cccnc2OC2CCCC2)ccnc1Cl ZINC000823649934 1137108155 /nfs/dbraw/zinc/10/81/55/1137108155.db2.gz WSCADYINRZINTC-UHFFFAOYSA-N 1 2 335.810 3.880 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001136767032 1137110454 /nfs/dbraw/zinc/11/04/54/1137110454.db2.gz GGABFJAPXFEWRT-SFHVURJKSA-N 1 2 347.462 3.779 20 0 EHADLO CCCOc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000861626795 1137115209 /nfs/dbraw/zinc/11/52/09/1137115209.db2.gz WVEAPAVRUQMXRT-UHFFFAOYSA-N 1 2 338.411 3.753 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000777222883 1137122054 /nfs/dbraw/zinc/12/20/54/1137122054.db2.gz TYTJGRHXRCEIDS-CQSZACIVSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000777222883 1137122056 /nfs/dbraw/zinc/12/20/56/1137122056.db2.gz TYTJGRHXRCEIDS-CQSZACIVSA-N 1 2 328.815 3.578 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)[C@@H]2C ZINC001171042135 1137122484 /nfs/dbraw/zinc/12/24/84/1137122484.db2.gz DVHLAJYBLAKYNY-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)[C@@H]2C ZINC001171042135 1137122486 /nfs/dbraw/zinc/12/24/86/1137122486.db2.gz DVHLAJYBLAKYNY-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO Fc1cc(C[NH+]2CCC(OCc3ccccc3F)CC2)c(F)cn1 ZINC000824125159 1137125108 /nfs/dbraw/zinc/12/51/08/1137125108.db2.gz FXBMKDQPTKWJOV-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccnc(Cl)c1F ZINC000824181268 1137126352 /nfs/dbraw/zinc/12/63/52/1137126352.db2.gz PQWCZXPKNDOOPM-UHFFFAOYSA-N 1 2 332.810 3.786 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3cc4c(cccc4Cl)[nH]3)CC2)c1 ZINC001136862417 1137134018 /nfs/dbraw/zinc/13/40/18/1137134018.db2.gz KDHAZDYCGGWPJL-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000862244905 1137134449 /nfs/dbraw/zinc/13/44/49/1137134449.db2.gz GQZJXDCAOSJVAZ-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000862244905 1137134450 /nfs/dbraw/zinc/13/44/50/1137134450.db2.gz GQZJXDCAOSJVAZ-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cn(C)nc2Br)[C@H](c2ccco2)C1 ZINC000862249841 1137135410 /nfs/dbraw/zinc/13/54/10/1137135410.db2.gz DUOBKXLNGXARGP-AAEUAGOBSA-N 1 2 338.249 3.749 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2Br)[C@H](c2ccco2)C1 ZINC000862249841 1137135411 /nfs/dbraw/zinc/13/54/11/1137135411.db2.gz DUOBKXLNGXARGP-AAEUAGOBSA-N 1 2 338.249 3.749 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824526552 1137141495 /nfs/dbraw/zinc/14/14/95/1137141495.db2.gz MNRQXJCMVBLWJQ-KRWDZBQOSA-N 1 2 330.451 3.883 20 0 EHADLO CC(C)C[C@H](C[N@@H+]1Cc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC000862450494 1137145235 /nfs/dbraw/zinc/14/52/35/1137145235.db2.gz VAOJHVVGQXDLGU-MRXNPFEDSA-N 1 2 334.460 3.647 20 0 EHADLO CC(C)C[C@H](C[N@H+]1Cc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC000862450494 1137145238 /nfs/dbraw/zinc/14/52/38/1137145238.db2.gz VAOJHVVGQXDLGU-MRXNPFEDSA-N 1 2 334.460 3.647 20 0 EHADLO CCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000824650390 1137146391 /nfs/dbraw/zinc/14/63/91/1137146391.db2.gz ONYVKVYSQBMLAU-ZDUSSCGKSA-N 1 2 326.227 3.917 20 0 EHADLO c1ccc(N2CCCCC2)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000862507200 1137147589 /nfs/dbraw/zinc/14/75/89/1137147589.db2.gz VPEBEABUULAHOC-UHFFFAOYSA-N 1 2 348.494 3.903 20 0 EHADLO c1ccc(N2CCCCC2)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000862507200 1137147590 /nfs/dbraw/zinc/14/75/90/1137147590.db2.gz VPEBEABUULAHOC-UHFFFAOYSA-N 1 2 348.494 3.903 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001136925529 1137149466 /nfs/dbraw/zinc/14/94/66/1137149466.db2.gz CPTYQAFLDXDIKD-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C ZINC001136925529 1137149467 /nfs/dbraw/zinc/14/94/67/1137149467.db2.gz CPTYQAFLDXDIKD-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)c2nccn21 ZINC000825016934 1137162081 /nfs/dbraw/zinc/16/20/81/1137162081.db2.gz JRASNIJSSBAXNX-SWLSCSKDSA-N 1 2 341.846 3.733 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(SC(F)F)cc2)CC[S@@]1=O ZINC000825024751 1137162297 /nfs/dbraw/zinc/16/22/97/1137162297.db2.gz UCYFVQRKXKUFLU-NRFANRHFSA-N 1 2 333.469 3.734 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(SC(F)F)cc2)CC[S@@]1=O ZINC000825024751 1137162298 /nfs/dbraw/zinc/16/22/98/1137162298.db2.gz UCYFVQRKXKUFLU-NRFANRHFSA-N 1 2 333.469 3.734 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045440 1137163183 /nfs/dbraw/zinc/16/31/83/1137163183.db2.gz DOJFYAUFCCDRPY-LLVKDONJSA-N 1 2 329.753 3.576 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000825091294 1137165409 /nfs/dbraw/zinc/16/54/09/1137165409.db2.gz XJEKDBXFVDGFGL-NSHDSACASA-N 1 2 336.785 3.737 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000825091294 1137165407 /nfs/dbraw/zinc/16/54/07/1137165407.db2.gz XJEKDBXFVDGFGL-NSHDSACASA-N 1 2 336.785 3.737 20 0 EHADLO Cn1c(Cl)cnc1C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000825134460 1137166899 /nfs/dbraw/zinc/16/68/99/1137166899.db2.gz ZXWKAYZMMSHZFW-UHFFFAOYSA-N 1 2 339.817 3.806 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@H]1F ZINC001171074442 1137167018 /nfs/dbraw/zinc/16/70/18/1137167018.db2.gz QPTOFTXAFMPXSA-IUODEOHRSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@H]1F ZINC001171074442 1137167019 /nfs/dbraw/zinc/16/70/19/1137167019.db2.gz QPTOFTXAFMPXSA-IUODEOHRSA-N 1 2 330.230 3.854 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(Cl)c2)c1C ZINC000173509815 1137184069 /nfs/dbraw/zinc/18/40/69/1137184069.db2.gz RYMDTNIKJAYVJB-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)c1C ZINC000173509815 1137184070 /nfs/dbraw/zinc/18/40/70/1137184070.db2.gz RYMDTNIKJAYVJB-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1Br ZINC001143661090 1137187272 /nfs/dbraw/zinc/18/72/72/1137187272.db2.gz PHCZVCPBUOOAJO-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1Br ZINC001143661090 1137187273 /nfs/dbraw/zinc/18/72/73/1137187273.db2.gz PHCZVCPBUOOAJO-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CC/C(C)=C(/C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863483469 1137188777 /nfs/dbraw/zinc/18/87/77/1137188777.db2.gz VKCXXBZZRTWYMC-NXVVXOECSA-N 1 2 325.456 3.559 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@H](CC)C2)nc1-c1ccncc1 ZINC000119493468 1137189865 /nfs/dbraw/zinc/18/98/65/1137189865.db2.gz AUYKOMWXDZRIDU-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@H](CC)C2)nc1-c1ccncc1 ZINC000119493468 1137189866 /nfs/dbraw/zinc/18/98/66/1137189866.db2.gz AUYKOMWXDZRIDU-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1F ZINC001143698689 1137190594 /nfs/dbraw/zinc/19/05/94/1137190594.db2.gz KHMIQPQECDVXPK-VXGBXAGGSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1F ZINC001143698689 1137190595 /nfs/dbraw/zinc/19/05/95/1137190595.db2.gz KHMIQPQECDVXPK-VXGBXAGGSA-N 1 2 341.732 3.533 20 0 EHADLO FC(F)(F)c1ccc(CN2CCc3[nH+]ccn3CC2)c(Cl)c1 ZINC001143715894 1137191582 /nfs/dbraw/zinc/19/15/82/1137191582.db2.gz VYXSDAUFKUQRIP-UHFFFAOYSA-N 1 2 329.753 3.614 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001143704701 1137192364 /nfs/dbraw/zinc/19/23/64/1137192364.db2.gz QLBKSZKQYHMXBE-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001143704701 1137192365 /nfs/dbraw/zinc/19/23/65/1137192365.db2.gz QLBKSZKQYHMXBE-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000863617891 1137195019 /nfs/dbraw/zinc/19/50/19/1137195019.db2.gz ILEPCELWZRKQGK-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](CC(=O)OC)C2)cc1Cl ZINC001143745106 1137195442 /nfs/dbraw/zinc/19/54/42/1137195442.db2.gz LMNPJHFMPIHANV-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCC[C@@H](CC(=O)OC)C2)cc1Cl ZINC001143745106 1137195443 /nfs/dbraw/zinc/19/54/43/1137195443.db2.gz LMNPJHFMPIHANV-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001143767738 1137196966 /nfs/dbraw/zinc/19/69/66/1137196966.db2.gz JTGNTQRLNWATLP-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794559485 1137204132 /nfs/dbraw/zinc/20/41/32/1137204132.db2.gz HRAUNXBUOACHMV-UHFFFAOYSA-N 1 2 344.764 3.777 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1F ZINC001143832863 1137204266 /nfs/dbraw/zinc/20/42/66/1137204266.db2.gz NNAGFYHUVIIVRT-TXEJJXNPSA-N 1 2 349.780 3.591 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1F ZINC001143832863 1137204267 /nfs/dbraw/zinc/20/42/67/1137204267.db2.gz NNAGFYHUVIIVRT-TXEJJXNPSA-N 1 2 349.780 3.591 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1OC(F)(F)F ZINC001143867592 1137206669 /nfs/dbraw/zinc/20/66/69/1137206669.db2.gz DVPWSNGWFAXMPN-UONOGXRCSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1OC(F)(F)F ZINC001143867592 1137206670 /nfs/dbraw/zinc/20/66/70/1137206670.db2.gz DVPWSNGWFAXMPN-UONOGXRCSA-N 1 2 339.304 3.866 20 0 EHADLO C[C@H]([NH2+]Cc1cc2ccccc2c(Cl)n1)c1nnc2ccccn21 ZINC000794570393 1137208353 /nfs/dbraw/zinc/20/83/53/1137208353.db2.gz QXVMTDOYAAQVII-LBPRGKRZSA-N 1 2 337.814 3.782 20 0 EHADLO COC(=O)c1ccc(CNc2ccc([NH+]3CCCC3)cc2)c(F)c1 ZINC000864002514 1137211023 /nfs/dbraw/zinc/21/10/23/1137211023.db2.gz HHQUNPWTCNPXNZ-UHFFFAOYSA-N 1 2 328.387 3.825 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143903157 1137211604 /nfs/dbraw/zinc/21/16/04/1137211604.db2.gz STMVLZSSFXDIPL-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143903157 1137211606 /nfs/dbraw/zinc/21/16/06/1137211606.db2.gz STMVLZSSFXDIPL-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)[C@@H](C)C(C)C)c2=S)cc1 ZINC000794619018 1137221070 /nfs/dbraw/zinc/22/10/70/1137221070.db2.gz DRCYKEFULKVPFE-ZDUSSCGKSA-N 1 2 334.489 3.654 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)[C@@H](C)C(C)C)c2=S)cc1 ZINC000794619018 1137221073 /nfs/dbraw/zinc/22/10/73/1137221073.db2.gz DRCYKEFULKVPFE-ZDUSSCGKSA-N 1 2 334.489 3.654 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/C1CCCCCC1 ZINC000844432873 1137221915 /nfs/dbraw/zinc/22/19/15/1137221915.db2.gz ZWQZJUGJWAYBSO-DHZHZOJOSA-N 1 2 343.471 3.692 20 0 EHADLO C[N@H+](Cn1nc(N2CCCC2)sc1=S)[C@H]1CCC(C)(C)C1 ZINC000794684745 1137226333 /nfs/dbraw/zinc/22/63/33/1137226333.db2.gz YYCYFCJVYSVGNA-LBPRGKRZSA-N 1 2 326.535 3.742 20 0 EHADLO C[N@@H+](Cn1nc(N2CCCC2)sc1=S)[C@H]1CCC(C)(C)C1 ZINC000794684745 1137226334 /nfs/dbraw/zinc/22/63/34/1137226334.db2.gz YYCYFCJVYSVGNA-LBPRGKRZSA-N 1 2 326.535 3.742 20 0 EHADLO Cc1occc1-c1nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c(=S)n1C ZINC000794686812 1137226643 /nfs/dbraw/zinc/22/66/43/1137226643.db2.gz RNXBFJGFYNDQMW-ZDUSSCGKSA-N 1 2 334.489 3.988 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(=S)n1C ZINC000794686812 1137226644 /nfs/dbraw/zinc/22/66/44/1137226644.db2.gz RNXBFJGFYNDQMW-ZDUSSCGKSA-N 1 2 334.489 3.988 20 0 EHADLO O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccccc1SC(F)F ZINC000844468560 1137226857 /nfs/dbraw/zinc/22/68/57/1137226857.db2.gz WDOASNVRMUTCRO-CQSZACIVSA-N 1 2 348.365 3.671 20 0 EHADLO O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccccc1SC(F)F ZINC000844468560 1137226858 /nfs/dbraw/zinc/22/68/58/1137226858.db2.gz WDOASNVRMUTCRO-CQSZACIVSA-N 1 2 348.365 3.671 20 0 EHADLO CCc1cc(C[N@@H+]2CCc3cnc(SC)nc3C2)cc(CC)c1O ZINC001144151007 1137245387 /nfs/dbraw/zinc/24/53/87/1137245387.db2.gz MZNJDJGAIXCVAO-UHFFFAOYSA-N 1 2 343.496 3.587 20 0 EHADLO CCc1cc(C[N@H+]2CCc3cnc(SC)nc3C2)cc(CC)c1O ZINC001144151007 1137245389 /nfs/dbraw/zinc/24/53/89/1137245389.db2.gz MZNJDJGAIXCVAO-UHFFFAOYSA-N 1 2 343.496 3.587 20 0 EHADLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CN1C(=O)CC12CCCC2 ZINC000844684431 1137246603 /nfs/dbraw/zinc/24/66/03/1137246603.db2.gz KCEHUFNAORTEOT-UHFFFAOYSA-N 1 2 342.361 3.520 20 0 EHADLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CN1C(=O)CC12CCCC2 ZINC000844684431 1137246604 /nfs/dbraw/zinc/24/66/04/1137246604.db2.gz KCEHUFNAORTEOT-UHFFFAOYSA-N 1 2 342.361 3.520 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146064 1137247173 /nfs/dbraw/zinc/24/71/73/1137247173.db2.gz VEXLVWREGQDIDQ-GFCCVEGCSA-N 1 2 330.255 3.782 20 0 EHADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccccc1SC1CCCC1 ZINC000864829084 1137247984 /nfs/dbraw/zinc/24/79/84/1137247984.db2.gz MDIDLHIHZHWAQR-BJMVGYQFSA-N 1 2 346.496 3.548 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(-c2cccc(F)c2)s1 ZINC001144214276 1137252164 /nfs/dbraw/zinc/25/21/64/1137252164.db2.gz XZMRSPSDRDTFPW-UHFFFAOYSA-N 1 2 343.427 3.961 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1([C@H]2CCCCO2)CCC1 ZINC000864951120 1137254617 /nfs/dbraw/zinc/25/46/17/1137254617.db2.gz CZGVVEFLANWHCK-QGZVFWFLSA-N 1 2 343.402 3.689 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1conc1C1CCCC1 ZINC000864951402 1137254806 /nfs/dbraw/zinc/25/48/06/1137254806.db2.gz MLAPAQZWOURESE-UHFFFAOYSA-N 1 2 340.358 3.909 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1Cc1ccccc1F ZINC000844879513 1137262291 /nfs/dbraw/zinc/26/22/91/1137262291.db2.gz CXJBXBSWULYAJZ-INIZCTEOSA-N 1 2 337.398 3.711 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C=C\C2CCCCCC2)n1 ZINC000844922806 1137263045 /nfs/dbraw/zinc/26/30/45/1137263045.db2.gz GMIJPESGLSRKCC-BMSUMIBZSA-N 1 2 335.448 3.785 20 0 EHADLO O=C1SCCN1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000120477734 1137272900 /nfs/dbraw/zinc/27/29/00/1137272900.db2.gz PPVOZCUPZZEHDC-NSHDSACASA-N 1 2 347.267 3.573 20 0 EHADLO O=C1SCCN1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000120477734 1137272902 /nfs/dbraw/zinc/27/29/02/1137272902.db2.gz PPVOZCUPZZEHDC-NSHDSACASA-N 1 2 347.267 3.573 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccccc1SC(F)F ZINC000845114301 1137274818 /nfs/dbraw/zinc/27/48/18/1137274818.db2.gz HKZHBUACSGFOKS-UHFFFAOYSA-N 1 2 337.395 3.715 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1OC ZINC000865398429 1137279957 /nfs/dbraw/zinc/27/99/57/1137279957.db2.gz WGKCUFHXRVCQQC-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO C[C@@H](CC(=O)OCCOc1cc(Cl)ccc1Cl)n1cc[nH+]c1 ZINC000845278541 1137283166 /nfs/dbraw/zinc/28/31/66/1137283166.db2.gz HRJBMEUDZNNSCE-NSHDSACASA-N 1 2 343.210 3.763 20 0 EHADLO C[C@H](CC(=O)OCCOc1cc(Cl)ccc1Cl)n1cc[nH+]c1 ZINC000845278540 1137283413 /nfs/dbraw/zinc/28/34/13/1137283413.db2.gz HRJBMEUDZNNSCE-LLVKDONJSA-N 1 2 343.210 3.763 20 0 EHADLO Cc1ccccc1-c1cnc(COC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000845280734 1137283420 /nfs/dbraw/zinc/28/34/20/1137283420.db2.gz DHATWQVTZCDZJA-AWEZNQCLSA-N 1 2 325.368 3.541 20 0 EHADLO C[C@@H](CC(=O)OCCn1ccc2cc(Cl)ccc21)n1cc[nH+]c1 ZINC000845283798 1137283518 /nfs/dbraw/zinc/28/35/18/1137283518.db2.gz HBXBVYXLNDTYJA-ZDUSSCGKSA-N 1 2 331.803 3.686 20 0 EHADLO C[C@@H](CC(=O)OCCc1cc(Cl)ccc1Cl)n1cc[nH+]c1 ZINC000845283663 1137283616 /nfs/dbraw/zinc/28/36/16/1137283616.db2.gz GEYLBSUYEOMXGM-NSHDSACASA-N 1 2 327.211 3.927 20 0 EHADLO CC(=O)c1cccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000865453043 1137285147 /nfs/dbraw/zinc/28/51/47/1137285147.db2.gz AGHUZWGPRMLOEC-UHFFFAOYSA-N 1 2 345.393 3.639 20 0 EHADLO C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Cl ZINC000845462637 1137293706 /nfs/dbraw/zinc/29/37/06/1137293706.db2.gz YNDQTANNPSOMQD-LLVKDONJSA-N 1 2 336.794 3.859 20 0 EHADLO CCOCCCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000865568952 1137295997 /nfs/dbraw/zinc/29/59/97/1137295997.db2.gz FGCWWXVOUDFMKQ-UHFFFAOYSA-N 1 2 347.503 3.675 20 0 EHADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)CCc2ccccc21 ZINC000845720001 1137306486 /nfs/dbraw/zinc/30/64/86/1137306486.db2.gz GGUFCKIDLVVRPU-AWEZNQCLSA-N 1 2 335.455 3.748 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21)c1ccccc1C ZINC001171197916 1137310159 /nfs/dbraw/zinc/31/01/59/1137310159.db2.gz LGRYQBPYZSVAMV-ZLOXQWCVSA-N 1 2 328.441 3.567 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c(Cl)n1 ZINC000865790489 1137312196 /nfs/dbraw/zinc/31/21/96/1137312196.db2.gz YMMROKVYMFKAFH-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)cc1F ZINC000845958675 1137323514 /nfs/dbraw/zinc/32/35/14/1137323514.db2.gz QJAWDWCRZZSPKG-INIZCTEOSA-N 1 2 347.434 3.788 20 0 EHADLO CC(=O)c1cc(F)ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866090255 1137328816 /nfs/dbraw/zinc/32/88/16/1137328816.db2.gz QLSRSLWUSYAACN-UHFFFAOYSA-N 1 2 345.443 3.589 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C2(CCC2)CO1 ZINC000846067640 1137332399 /nfs/dbraw/zinc/33/23/99/1137332399.db2.gz VHPUHWZSNHONGK-CQSZACIVSA-N 1 2 347.459 3.572 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C2(CCC2)CO1 ZINC000846067640 1137332401 /nfs/dbraw/zinc/33/24/01/1137332401.db2.gz VHPUHWZSNHONGK-CQSZACIVSA-N 1 2 347.459 3.572 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)CCCn1cc[nH+]c1 ZINC000120926620 1137332771 /nfs/dbraw/zinc/33/27/71/1137332771.db2.gz FLDIKDZFRRQOHI-HKUYNNGSSA-N 1 2 342.439 3.627 20 0 EHADLO Fc1cc(Cl)c(CN2CC[NH+](Cc3ccco3)CC2)cc1F ZINC001144725969 1137336738 /nfs/dbraw/zinc/33/67/38/1137336738.db2.gz CISFWWWWCCPCHR-UHFFFAOYSA-N 1 2 326.774 3.529 20 0 EHADLO c1cc(-c2cc[nH+]c(NCCC3CCC4(CC3)OCCO4)c2)ccn1 ZINC001171218043 1137340561 /nfs/dbraw/zinc/34/05/61/1137340561.db2.gz ALXHSFRDRBLGNS-UHFFFAOYSA-N 1 2 339.439 3.879 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2scnc2c1 ZINC001144738957 1137341360 /nfs/dbraw/zinc/34/13/60/1137341360.db2.gz MRYGOJYJXWCBFM-OAHLLOKOSA-N 1 2 332.469 3.993 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2scnc2c1 ZINC001144738957 1137341361 /nfs/dbraw/zinc/34/13/61/1137341361.db2.gz MRYGOJYJXWCBFM-OAHLLOKOSA-N 1 2 332.469 3.993 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc2c(ccnc2Cl)o1 ZINC000866278111 1137342033 /nfs/dbraw/zinc/34/20/33/1137342033.db2.gz MRJSEWWSPKCYTA-SECBINFHSA-N 1 2 336.848 3.855 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001144754078 1137342612 /nfs/dbraw/zinc/34/26/12/1137342612.db2.gz CUNHZQHMAOQOQW-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001144754078 1137342613 /nfs/dbraw/zinc/34/26/13/1137342613.db2.gz CUNHZQHMAOQOQW-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001144759954 1137345470 /nfs/dbraw/zinc/34/54/70/1137345470.db2.gz MGRANPWWWOJIBY-UHFFFAOYSA-N 1 2 335.407 3.647 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CCO1 ZINC000866334571 1137346704 /nfs/dbraw/zinc/34/67/04/1137346704.db2.gz WGMODGXVPVSQRJ-TTYHFUOFSA-N 1 2 342.483 3.671 20 0 EHADLO COCCCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866359494 1137349227 /nfs/dbraw/zinc/34/92/27/1137349227.db2.gz SYGHNTXAAWEYLC-ICSRJNTNSA-N 1 2 345.414 3.663 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000866541587 1137363118 /nfs/dbraw/zinc/36/31/18/1137363118.db2.gz OXECIZKQRVADAQ-SECBINFHSA-N 1 2 343.301 3.658 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)o1 ZINC000866558724 1137364479 /nfs/dbraw/zinc/36/44/79/1137364479.db2.gz SGJLNWFEUHGWFM-NSHDSACASA-N 1 2 327.350 3.990 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cncs1 ZINC000866560221 1137364578 /nfs/dbraw/zinc/36/45/78/1137364578.db2.gz QFJWVCTWJDYVBE-SECBINFHSA-N 1 2 330.379 3.546 20 0 EHADLO C[C@H](O)c1cc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc2c1OCC2 ZINC000846781936 1137365582 /nfs/dbraw/zinc/36/55/82/1137365582.db2.gz KBFBNJVIJRQBLY-ZDUSSCGKSA-N 1 2 338.382 3.726 20 0 EHADLO C[N@H+](Cc1cnc(Cl)c(F)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000846807808 1137368667 /nfs/dbraw/zinc/36/86/67/1137368667.db2.gz HRVFIFUSQFWCOT-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO C[N@@H+](Cc1cnc(Cl)c(F)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000846807808 1137368668 /nfs/dbraw/zinc/36/86/68/1137368668.db2.gz HRVFIFUSQFWCOT-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO Cn1cc(Br)cc1C[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846816429 1137369173 /nfs/dbraw/zinc/36/91/73/1137369173.db2.gz WMWFYYVXBMZLBU-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846816429 1137369174 /nfs/dbraw/zinc/36/91/74/1137369174.db2.gz WMWFYYVXBMZLBU-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866745617 1137375829 /nfs/dbraw/zinc/37/58/29/1137375829.db2.gz ZAAOIKURRNGIAN-FQEVSTJZSA-N 1 2 327.472 3.637 20 0 EHADLO CC(C)c1cnc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)o1 ZINC000847003295 1137381472 /nfs/dbraw/zinc/38/14/72/1137381472.db2.gz XIFVFWAOTNIGRC-QAQDUYKDSA-N 1 2 344.455 3.809 20 0 EHADLO CC(C)c1cnc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)o1 ZINC000847003295 1137381473 /nfs/dbraw/zinc/38/14/73/1137381473.db2.gz XIFVFWAOTNIGRC-QAQDUYKDSA-N 1 2 344.455 3.809 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267372 1137386717 /nfs/dbraw/zinc/38/67/17/1137386717.db2.gz PIKBMSYFDGFKTA-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267372 1137386719 /nfs/dbraw/zinc/38/67/19/1137386719.db2.gz PIKBMSYFDGFKTA-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC000867844174 1137387874 /nfs/dbraw/zinc/38/78/74/1137387874.db2.gz TVDBYPPYWHYENB-OAHLLOKOSA-N 1 2 343.446 3.633 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000867844210 1137387942 /nfs/dbraw/zinc/38/79/42/1137387942.db2.gz VAEZDOSILBXAHQ-RDJZCZTQSA-N 1 2 343.446 3.534 20 0 EHADLO COc1ccccc1[C@H](C)N(OC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001146562125 1137391957 /nfs/dbraw/zinc/39/19/57/1137391957.db2.gz AEARVIOLKRGQRE-RDJZCZTQSA-N 1 2 345.443 3.630 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941527 1137397458 /nfs/dbraw/zinc/39/74/58/1137397458.db2.gz WJJCPBNYVNUBKD-BBRMVZONSA-N 1 2 343.496 3.698 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941527 1137397460 /nfs/dbraw/zinc/39/74/60/1137397460.db2.gz WJJCPBNYVNUBKD-BBRMVZONSA-N 1 2 343.496 3.698 20 0 EHADLO Cc1ccc(N[C@@H]2COCc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001171302186 1137404132 /nfs/dbraw/zinc/40/41/32/1137404132.db2.gz RRQZCBDCPRLIKT-OAQYLSRUSA-N 1 2 338.451 3.511 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC000868412737 1137409119 /nfs/dbraw/zinc/40/91/19/1137409119.db2.gz GKEWPSWGGMASLM-QZTJIDSGSA-N 1 2 325.456 3.646 20 0 EHADLO Cc1ccc(N2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)c(C)c1 ZINC001148537849 1137427294 /nfs/dbraw/zinc/42/72/94/1137427294.db2.gz OVPDBGBDTNMLDC-UHFFFAOYSA-N 1 2 337.467 3.586 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869103691 1137436704 /nfs/dbraw/zinc/43/67/04/1137436704.db2.gz QHJGDMRCYXJCPA-IFXJQAMLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869103691 1137436706 /nfs/dbraw/zinc/43/67/06/1137436706.db2.gz QHJGDMRCYXJCPA-IFXJQAMLSA-N 1 2 341.430 3.715 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)n1 ZINC000348113396 1137441823 /nfs/dbraw/zinc/44/18/23/1137441823.db2.gz SBWUUXDBZSUHQF-LLVKDONJSA-N 1 2 346.481 3.659 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2csc(CC(=O)OC(C)C)n2)c(C)o1 ZINC000348109278 1137445452 /nfs/dbraw/zinc/44/54/52/1137445452.db2.gz LFCHOIPMDIZALJ-GFCCVEGCSA-N 1 2 336.457 3.698 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1Br ZINC000282754747 1137448860 /nfs/dbraw/zinc/44/88/60/1137448860.db2.gz STSJUDOAFYJDPR-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000122575819 1137451055 /nfs/dbraw/zinc/45/10/55/1137451055.db2.gz UHBMDXSYQXHCOF-OWBHPGMISA-N 1 2 329.831 3.804 20 0 EHADLO Oc1ccccc1-c1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)o1 ZINC001171352156 1137456316 /nfs/dbraw/zinc/45/63/16/1137456316.db2.gz BMUULJWEEBLXOS-UHFFFAOYSA-N 1 2 341.798 3.875 20 0 EHADLO O=C(/C=C/c1ccsc1C(F)(F)F)OCCCn1cc[nH+]c1 ZINC000869584194 1137458108 /nfs/dbraw/zinc/45/81/08/1137458108.db2.gz BVSRAUUXUCNNCO-NSCUHMNNSA-N 1 2 330.331 3.610 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000870123311 1137477906 /nfs/dbraw/zinc/47/79/06/1137477906.db2.gz QBUNCWTZPTVLRV-AWEZNQCLSA-N 1 2 341.480 3.540 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2n1 ZINC000870125500 1137478102 /nfs/dbraw/zinc/47/81/02/1137478102.db2.gz JKPHTDXDXXYCSD-INIZCTEOSA-N 1 2 349.434 3.655 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCOc3cccc(Br)c3C2)O1 ZINC001171567813 1137498726 /nfs/dbraw/zinc/49/87/26/1137498726.db2.gz PVXYTIBAZWTULV-LBPRGKRZSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCOc3cccc(Br)c3C2)O1 ZINC001171567813 1137498727 /nfs/dbraw/zinc/49/87/27/1137498727.db2.gz PVXYTIBAZWTULV-LBPRGKRZSA-N 1 2 340.261 3.601 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001171920724 1137518698 /nfs/dbraw/zinc/51/86/98/1137518698.db2.gz METXBJMRLPCWRA-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001171920724 1137518699 /nfs/dbraw/zinc/51/86/99/1137518699.db2.gz METXBJMRLPCWRA-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000888556462 1137525822 /nfs/dbraw/zinc/52/58/22/1137525822.db2.gz CKCQJQVPZWZRQG-UHFFFAOYSA-N 1 2 327.428 3.578 20 0 EHADLO Fc1ccc([C@@H]2COCC[N@@H+]2[C@@H]2CSc3ccccc3C2)cc1 ZINC001172208680 1137541235 /nfs/dbraw/zinc/54/12/35/1137541235.db2.gz RRCQOGSXWCDHES-ROUUACIJSA-N 1 2 329.440 3.916 20 0 EHADLO Fc1ccc([C@@H]2COCC[N@H+]2[C@@H]2CSc3ccccc3C2)cc1 ZINC001172208680 1137541237 /nfs/dbraw/zinc/54/12/37/1137541237.db2.gz RRCQOGSXWCDHES-ROUUACIJSA-N 1 2 329.440 3.916 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172322926 1137547406 /nfs/dbraw/zinc/54/74/06/1137547406.db2.gz ZESVUBQSQUDIAC-LMMKCTJWSA-N 1 2 335.488 3.734 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872057418 1137568441 /nfs/dbraw/zinc/56/84/41/1137568441.db2.gz YEIDNWJWARWWEX-VQIMIIECSA-N 1 2 332.488 3.837 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cccc(O)c1F ZINC000872082817 1137570400 /nfs/dbraw/zinc/57/04/00/1137570400.db2.gz BMEUCMGAXNJPBP-PBHICJAKSA-N 1 2 339.414 3.899 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]CCC[C@@H]2CCOC2=O)C(F)F)c1 ZINC000872112282 1137571839 /nfs/dbraw/zinc/57/18/39/1137571839.db2.gz ISFCCVHQSXCEMD-CJNGLKHVSA-N 1 2 341.398 3.713 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872318788 1137578393 /nfs/dbraw/zinc/57/83/93/1137578393.db2.gz QHQNRCWPIASQRW-HNNXBMFYSA-N 1 2 334.423 3.750 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318788 1137578394 /nfs/dbraw/zinc/57/83/94/1137578394.db2.gz QHQNRCWPIASQRW-HNNXBMFYSA-N 1 2 334.423 3.750 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000872774126 1137584212 /nfs/dbraw/zinc/58/42/12/1137584212.db2.gz DIHOPVDCAAYLPR-HOTGVXAUSA-N 1 2 339.443 3.505 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000825627420 1137585087 /nfs/dbraw/zinc/58/50/87/1137585087.db2.gz KWDGJBRPYNFXBY-OAHLLOKOSA-N 1 2 345.418 3.867 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3cccc4ncccc34)cc2)CC1 ZINC000873019421 1137588128 /nfs/dbraw/zinc/58/81/28/1137588128.db2.gz YIEHCKBVKOZQGE-UHFFFAOYSA-N 1 2 333.435 3.808 20 0 EHADLO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]Cc3ccon3)ccc21 ZINC000873128751 1137590780 /nfs/dbraw/zinc/59/07/80/1137590780.db2.gz CAXODMDYIXJEPV-UHFFFAOYSA-N 1 2 343.427 3.652 20 0 EHADLO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873972225 1137608748 /nfs/dbraw/zinc/60/87/48/1137608748.db2.gz ADJDRFXGYAOVLH-ZIAGYGMSSA-N 1 2 337.345 3.581 20 0 EHADLO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873972225 1137608749 /nfs/dbraw/zinc/60/87/49/1137608749.db2.gz ADJDRFXGYAOVLH-ZIAGYGMSSA-N 1 2 337.345 3.581 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000825717920 1137612361 /nfs/dbraw/zinc/61/23/61/1137612361.db2.gz HUENSUJZVQRILE-UHFFFAOYSA-N 1 2 347.418 3.563 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(Cc2ccccc2)CCCC1 ZINC000874712044 1137621646 /nfs/dbraw/zinc/62/16/46/1137621646.db2.gz QETMZTAWGWKOAY-QZTJIDSGSA-N 1 2 337.467 3.538 20 0 EHADLO CC(F)(F)C(C)(C)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000825827912 1137639656 /nfs/dbraw/zinc/63/96/56/1137639656.db2.gz GRRYHOHGAFHXSP-CQSZACIVSA-N 1 2 335.398 3.729 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000875902518 1137640456 /nfs/dbraw/zinc/64/04/56/1137640456.db2.gz CNYMFRPVKYEWHZ-CZUORRHYSA-N 1 2 344.846 3.640 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC3(Cl)Cl)n2)C1 ZINC000125803423 1137646166 /nfs/dbraw/zinc/64/61/66/1137646166.db2.gz LZYBYWOUJWGPFI-ONGXEEELSA-N 1 2 348.299 3.507 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC3(Cl)Cl)n2)C1 ZINC000125803423 1137646167 /nfs/dbraw/zinc/64/61/67/1137646167.db2.gz LZYBYWOUJWGPFI-ONGXEEELSA-N 1 2 348.299 3.507 20 0 EHADLO CCN(CCc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876212082 1137646261 /nfs/dbraw/zinc/64/62/61/1137646261.db2.gz HLKSLMHHGAFWFY-GOSISDBHSA-N 1 2 343.496 3.509 20 0 EHADLO CCN(CCc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876212082 1137646262 /nfs/dbraw/zinc/64/62/62/1137646262.db2.gz HLKSLMHHGAFWFY-GOSISDBHSA-N 1 2 343.496 3.509 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1Br ZINC000876546509 1137655102 /nfs/dbraw/zinc/65/51/02/1137655102.db2.gz XYWDLGIXCWJCQZ-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1Br ZINC000876546509 1137655103 /nfs/dbraw/zinc/65/51/03/1137655103.db2.gz XYWDLGIXCWJCQZ-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO COc1ccccc1[C@@H](O)C[N@H+](Cc1ncc(Cl)s1)C(C)C ZINC001137110355 1137658487 /nfs/dbraw/zinc/65/84/87/1137658487.db2.gz RCDLUQDXZXTOFC-ZDUSSCGKSA-N 1 2 340.876 3.749 20 0 EHADLO COc1ccccc1[C@@H](O)C[N@@H+](Cc1ncc(Cl)s1)C(C)C ZINC001137110355 1137658488 /nfs/dbraw/zinc/65/84/88/1137658488.db2.gz RCDLUQDXZXTOFC-ZDUSSCGKSA-N 1 2 340.876 3.749 20 0 EHADLO CCOP(=O)(CCCNc1ccc(N2CCCC2)[nH+]c1)OCC ZINC000877116453 1137670578 /nfs/dbraw/zinc/67/05/78/1137670578.db2.gz XTWNXLCOHPRRNI-UHFFFAOYSA-N 1 2 341.392 3.750 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Cl)CCO1 ZINC000126414085 1137673152 /nfs/dbraw/zinc/67/31/52/1137673152.db2.gz BMUOSBLDXUCXNR-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2Cl)CCO1 ZINC000126414085 1137673153 /nfs/dbraw/zinc/67/31/53/1137673153.db2.gz BMUOSBLDXUCXNR-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)s1 ZINC000877542869 1137680602 /nfs/dbraw/zinc/68/06/02/1137680602.db2.gz UAOYRVLWIRHTCN-UHFFFAOYSA-N 1 2 348.472 3.737 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000877681109 1137685587 /nfs/dbraw/zinc/68/55/87/1137685587.db2.gz FMVHJJSHAPXDHN-UHFFFAOYSA-N 1 2 327.453 3.537 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cnc(C3CC3)s1)CC2 ZINC000877681109 1137685588 /nfs/dbraw/zinc/68/55/88/1137685588.db2.gz FMVHJJSHAPXDHN-UHFFFAOYSA-N 1 2 327.453 3.537 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000877754322 1137687885 /nfs/dbraw/zinc/68/78/85/1137687885.db2.gz BCAJYXQDDNBAKY-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000877754322 1137687886 /nfs/dbraw/zinc/68/78/86/1137687886.db2.gz BCAJYXQDDNBAKY-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000877757625 1137688378 /nfs/dbraw/zinc/68/83/78/1137688378.db2.gz OXILWVDIUBZUEY-NRFANRHFSA-N 1 2 337.419 3.545 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000877757625 1137688379 /nfs/dbraw/zinc/68/83/79/1137688379.db2.gz OXILWVDIUBZUEY-NRFANRHFSA-N 1 2 337.419 3.545 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000877817450 1137691233 /nfs/dbraw/zinc/69/12/33/1137691233.db2.gz XOCDXXDVIRSEID-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000877817450 1137691234 /nfs/dbraw/zinc/69/12/34/1137691234.db2.gz XOCDXXDVIRSEID-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877819744 1137691452 /nfs/dbraw/zinc/69/14/52/1137691452.db2.gz DDLFKRQRMFGGCI-INIZCTEOSA-N 1 2 346.368 3.579 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877819744 1137691453 /nfs/dbraw/zinc/69/14/53/1137691453.db2.gz DDLFKRQRMFGGCI-INIZCTEOSA-N 1 2 346.368 3.579 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)cc1OC ZINC000877907661 1137695069 /nfs/dbraw/zinc/69/50/69/1137695069.db2.gz ATFZDZLXYNLQFW-INIZCTEOSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)cc1OC ZINC000877907661 1137695070 /nfs/dbraw/zinc/69/50/70/1137695070.db2.gz ATFZDZLXYNLQFW-INIZCTEOSA-N 1 2 342.439 3.908 20 0 EHADLO Clc1ncsc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000877938011 1137696333 /nfs/dbraw/zinc/69/63/33/1137696333.db2.gz UGSKTMYOQDYRGG-LBPRGKRZSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncsc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000877938011 1137696334 /nfs/dbraw/zinc/69/63/34/1137696334.db2.gz UGSKTMYOQDYRGG-LBPRGKRZSA-N 1 2 336.844 3.905 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)c(F)c1 ZINC000877970062 1137697512 /nfs/dbraw/zinc/69/75/12/1137697512.db2.gz HJRFCFMYCDTHKJ-UHFFFAOYSA-N 1 2 348.393 3.875 20 0 EHADLO C[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](CCO)c1ccccc1 ZINC000878139491 1137704105 /nfs/dbraw/zinc/70/41/05/1137704105.db2.gz OQWSVPOBTILLJA-SFHVURJKSA-N 1 2 328.456 3.745 20 0 EHADLO C[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](CCO)c1ccccc1 ZINC000878139491 1137704106 /nfs/dbraw/zinc/70/41/06/1137704106.db2.gz OQWSVPOBTILLJA-SFHVURJKSA-N 1 2 328.456 3.745 20 0 EHADLO Cc1conc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000878185436 1137706235 /nfs/dbraw/zinc/70/62/35/1137706235.db2.gz KVZVCFUWJRZBDA-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1conc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000878185436 1137706236 /nfs/dbraw/zinc/70/62/36/1137706236.db2.gz KVZVCFUWJRZBDA-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1OC ZINC000878353601 1137712225 /nfs/dbraw/zinc/71/22/25/1137712225.db2.gz NRRCYMBWFBEKDV-HNNXBMFYSA-N 1 2 339.395 3.692 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nccn3CC(F)F)CCC2)c(F)c1 ZINC000878369481 1137713186 /nfs/dbraw/zinc/71/31/86/1137713186.db2.gz SRFBZUSMZZZMSZ-UHFFFAOYSA-N 1 2 327.325 3.595 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc([S@](C)=O)cc1 ZINC000878376158 1137713497 /nfs/dbraw/zinc/71/34/97/1137713497.db2.gz NCQKQVLSWXCYDT-RZFZLAGVSA-N 1 2 346.496 3.778 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000878552662 1137719913 /nfs/dbraw/zinc/71/99/13/1137719913.db2.gz JINVNUKWLXSNIM-GJZGRUSLSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000878552662 1137719914 /nfs/dbraw/zinc/71/99/14/1137719914.db2.gz JINVNUKWLXSNIM-GJZGRUSLSA-N 1 2 343.858 3.860 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2scnc2Cl)C1 ZINC000878562824 1137720293 /nfs/dbraw/zinc/72/02/93/1137720293.db2.gz GLUAVLSZJRYIDY-OAHLLOKOSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2scnc2Cl)C1 ZINC000878562824 1137720294 /nfs/dbraw/zinc/72/02/94/1137720294.db2.gz GLUAVLSZJRYIDY-OAHLLOKOSA-N 1 2 345.896 3.533 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878716557 1137725956 /nfs/dbraw/zinc/72/59/56/1137725956.db2.gz IYCSNRNHJAGYRD-UHFFFAOYSA-N 1 2 346.393 3.733 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1scnc1Cl ZINC000878814664 1137728988 /nfs/dbraw/zinc/72/89/88/1137728988.db2.gz QXJFDUFTZUBPQZ-MNOVXSKESA-N 1 2 345.896 3.674 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1scnc1Cl ZINC000878814664 1137728989 /nfs/dbraw/zinc/72/89/89/1137728989.db2.gz QXJFDUFTZUBPQZ-MNOVXSKESA-N 1 2 345.896 3.674 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3ncccn3)c2cc1C ZINC000878975162 1137734029 /nfs/dbraw/zinc/73/40/29/1137734029.db2.gz ACAAPQDDJPIZOU-QGZVFWFLSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ncccn3)c2cc1C ZINC000878975162 1137734030 /nfs/dbraw/zinc/73/40/30/1137734030.db2.gz ACAAPQDDJPIZOU-QGZVFWFLSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)sc1Br ZINC000879035552 1137736075 /nfs/dbraw/zinc/73/60/75/1137736075.db2.gz MNSYGAQHCMHNEC-ZJUUUORDSA-N 1 2 333.320 3.684 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)sc1Br ZINC000879035552 1137736076 /nfs/dbraw/zinc/73/60/76/1137736076.db2.gz MNSYGAQHCMHNEC-ZJUUUORDSA-N 1 2 333.320 3.684 20 0 EHADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000879038865 1137736176 /nfs/dbraw/zinc/73/61/76/1137736176.db2.gz ZHEDVQBMILDEAO-GHMZBOCLSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000879038865 1137736177 /nfs/dbraw/zinc/73/61/77/1137736177.db2.gz ZHEDVQBMILDEAO-GHMZBOCLSA-N 1 2 330.881 3.596 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CCO1 ZINC000879629201 1137752776 /nfs/dbraw/zinc/75/27/76/1137752776.db2.gz IXYNRCVSBUASEY-SWLSCSKDSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CCO1 ZINC000879629201 1137752777 /nfs/dbraw/zinc/75/27/77/1137752777.db2.gz IXYNRCVSBUASEY-SWLSCSKDSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1F ZINC000626126199 1137753999 /nfs/dbraw/zinc/75/39/99/1137753999.db2.gz JAYOVSNMKGBHOD-OAHLLOKOSA-N 1 2 345.418 3.864 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1F ZINC000626126199 1137754000 /nfs/dbraw/zinc/75/40/00/1137754000.db2.gz JAYOVSNMKGBHOD-OAHLLOKOSA-N 1 2 345.418 3.864 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000879669606 1137754622 /nfs/dbraw/zinc/75/46/22/1137754622.db2.gz SQTAMQGVBUUCLF-HBNTYKKESA-N 1 2 335.395 3.870 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccnn1C ZINC000879683611 1137755155 /nfs/dbraw/zinc/75/51/55/1137755155.db2.gz BHVHLZLVAHDWSW-MNOVXSKESA-N 1 2 331.807 3.535 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1F ZINC000626127366 1137756420 /nfs/dbraw/zinc/75/64/20/1137756420.db2.gz LNSJVXMNBNPRJU-CYBMUJFWSA-N 1 2 333.432 3.553 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1F ZINC000626127366 1137756421 /nfs/dbraw/zinc/75/64/21/1137756421.db2.gz LNSJVXMNBNPRJU-CYBMUJFWSA-N 1 2 333.432 3.553 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c1 ZINC000879747183 1137757547 /nfs/dbraw/zinc/75/75/47/1137757547.db2.gz JSXVAJHTOFERRL-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cncc(Br)c2)c1 ZINC000879747183 1137757548 /nfs/dbraw/zinc/75/75/48/1137757548.db2.gz JSXVAJHTOFERRL-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1snc2ccccc21 ZINC000879826210 1137760022 /nfs/dbraw/zinc/76/00/22/1137760022.db2.gz NIRNAASXGYBVDV-CQSZACIVSA-N 1 2 343.456 3.729 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)n1 ZINC000880001195 1137764232 /nfs/dbraw/zinc/76/42/32/1137764232.db2.gz NWCWUOHHCRHJDK-INIZCTEOSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)n1 ZINC000880001195 1137764233 /nfs/dbraw/zinc/76/42/33/1137764233.db2.gz NWCWUOHHCRHJDK-INIZCTEOSA-N 1 2 339.361 3.743 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000880002553 1137764641 /nfs/dbraw/zinc/76/46/41/1137764641.db2.gz LLGHPLPPTCEYNZ-AWEZNQCLSA-N 1 2 343.374 3.509 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000880002553 1137764642 /nfs/dbraw/zinc/76/46/42/1137764642.db2.gz LLGHPLPPTCEYNZ-AWEZNQCLSA-N 1 2 343.374 3.509 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000880007256 1137765007 /nfs/dbraw/zinc/76/50/07/1137765007.db2.gz CCLPSMTXEUIGMH-NSHDSACASA-N 1 2 332.454 3.553 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000880007256 1137765008 /nfs/dbraw/zinc/76/50/08/1137765008.db2.gz CCLPSMTXEUIGMH-NSHDSACASA-N 1 2 332.454 3.553 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H](C(F)(F)F)O1 ZINC000880067791 1137767100 /nfs/dbraw/zinc/76/71/00/1137767100.db2.gz WXPXZUCUYZHZOB-BXKDBHETSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H](C(F)(F)F)O1 ZINC000880067791 1137767101 /nfs/dbraw/zinc/76/71/01/1137767101.db2.gz WXPXZUCUYZHZOB-BXKDBHETSA-N 1 2 342.283 3.642 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000880226359 1137771457 /nfs/dbraw/zinc/77/14/57/1137771457.db2.gz HTWYWWVTCZUXOW-UHFFFAOYSA-N 1 2 333.461 3.636 20 0 EHADLO COC(=O)c1cnc(CC2CC[NH+](C/C(Cl)=C\Cl)CC2)s1 ZINC000880274093 1137772622 /nfs/dbraw/zinc/77/26/22/1137772622.db2.gz LPYSDPHMZMFTEW-YRNVUSSQSA-N 1 2 349.283 3.503 20 0 EHADLO COCCc1nc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880286925 1137773445 /nfs/dbraw/zinc/77/34/45/1137773445.db2.gz IBKCNLTYSVQAAC-AWEZNQCLSA-N 1 2 349.862 3.680 20 0 EHADLO COCCc1nc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880286925 1137773446 /nfs/dbraw/zinc/77/34/46/1137773446.db2.gz IBKCNLTYSVQAAC-AWEZNQCLSA-N 1 2 349.862 3.680 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)cs1 ZINC000880371311 1137776849 /nfs/dbraw/zinc/77/68/49/1137776849.db2.gz FKLGKBHPNVKOIX-GOSISDBHSA-N 1 2 330.453 3.831 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@]2(C)c2ccccc2)cs1 ZINC000880371311 1137776850 /nfs/dbraw/zinc/77/68/50/1137776850.db2.gz FKLGKBHPNVKOIX-GOSISDBHSA-N 1 2 330.453 3.831 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1nc(C)c(C)o1)CC2 ZINC000880390711 1137777736 /nfs/dbraw/zinc/77/77/36/1137777736.db2.gz UCCKFNSSBKZKQG-UHFFFAOYSA-N 1 2 330.428 3.602 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1nc(C)c(C)o1)CC2 ZINC000880390711 1137777737 /nfs/dbraw/zinc/77/77/37/1137777737.db2.gz UCCKFNSSBKZKQG-UHFFFAOYSA-N 1 2 330.428 3.602 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC3(CCCCO3)CC2)nc2cc(Cl)ccc21 ZINC000880457367 1137779083 /nfs/dbraw/zinc/77/90/83/1137779083.db2.gz MXVLMDRSVKVHBU-UHFFFAOYSA-N 1 2 347.846 3.524 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3Cc4ccccc4N4CCC[C@H]4C3)no2)cc1 ZINC000880557426 1137781363 /nfs/dbraw/zinc/78/13/63/1137781363.db2.gz SQPUIUOOMKZENX-SFHVURJKSA-N 1 2 346.434 3.721 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3Cc4ccccc4N4CCC[C@H]4C3)no2)cc1 ZINC000880557426 1137781364 /nfs/dbraw/zinc/78/13/64/1137781364.db2.gz SQPUIUOOMKZENX-SFHVURJKSA-N 1 2 346.434 3.721 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(F)c(C(F)F)c1 ZINC000880685540 1137784317 /nfs/dbraw/zinc/78/43/17/1137784317.db2.gz TZQJXUALBDBABW-UHFFFAOYSA-N 1 2 338.333 3.782 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000880747781 1137787931 /nfs/dbraw/zinc/78/79/31/1137787931.db2.gz JHZYIOCYZIWTOO-UHFFFAOYSA-N 1 2 328.391 3.838 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000626134217 1137791146 /nfs/dbraw/zinc/79/11/46/1137791146.db2.gz CNRSSYFWQZOMFE-RHSMWYFYSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000626134217 1137791147 /nfs/dbraw/zinc/79/11/47/1137791147.db2.gz CNRSSYFWQZOMFE-RHSMWYFYSA-N 1 2 329.444 3.717 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(C)c(N3CCCC3)c2)cc(C)[nH+]1 ZINC000881001851 1137796997 /nfs/dbraw/zinc/79/69/97/1137796997.db2.gz ZHVCVJIOUNDRAU-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ncsc2C2CC2)c1C ZINC000881038916 1137798263 /nfs/dbraw/zinc/79/82/63/1137798263.db2.gz QGRUWKKONQIMRP-UHFFFAOYSA-N 1 2 346.456 3.705 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000881170750 1137802489 /nfs/dbraw/zinc/80/24/89/1137802489.db2.gz UJZDDFBYBPZYFZ-CYBMUJFWSA-N 1 2 344.312 3.668 20 0 EHADLO C[C@@H]1c2sccc2CCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000882180126 1137822954 /nfs/dbraw/zinc/82/29/54/1137822954.db2.gz ARYVDTVTEPVYMT-PWSUYJOCSA-N 1 2 343.374 3.584 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C(C)C ZINC000882652255 1137830732 /nfs/dbraw/zinc/83/07/32/1137830732.db2.gz OSNXBHVHXFCIHE-OAHLLOKOSA-N 1 2 341.455 3.996 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C(C)C ZINC000882653621 1137830930 /nfs/dbraw/zinc/83/09/30/1137830930.db2.gz VKWCOLGAUSZKFT-OAHLLOKOSA-N 1 2 341.455 3.996 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000882908810 1137837579 /nfs/dbraw/zinc/83/75/79/1137837579.db2.gz FJNGWDIHAMHRTN-AWEZNQCLSA-N 1 2 328.460 3.808 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccccc2OCC(F)(F)F)n1 ZINC000882910714 1137837793 /nfs/dbraw/zinc/83/77/93/1137837793.db2.gz ZOCGIIHPOTVCFO-UHFFFAOYSA-N 1 2 327.350 3.764 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C(C)(C)O)cc1 ZINC000883219363 1137849262 /nfs/dbraw/zinc/84/92/62/1137849262.db2.gz RGISHYITQIVZLU-UHFFFAOYSA-N 1 2 339.439 3.522 20 0 EHADLO CCn1ccnc1C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000883280132 1137852232 /nfs/dbraw/zinc/85/22/32/1137852232.db2.gz SFPKITJLLFACEA-UHFFFAOYSA-N 1 2 334.217 3.702 20 0 EHADLO COc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1OCC(C)C ZINC000883308580 1137853916 /nfs/dbraw/zinc/85/39/16/1137853916.db2.gz TUPBDNRMUZJIFQ-UHFFFAOYSA-N 1 2 341.455 3.689 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000883534787 1137862886 /nfs/dbraw/zinc/86/28/86/1137862886.db2.gz VUEZWLWYFLABNZ-CVEARBPZSA-N 1 2 348.397 3.502 20 0 EHADLO CCSc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000883683488 1137867052 /nfs/dbraw/zinc/86/70/52/1137867052.db2.gz BBYYREBZUIYTNG-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO CCSc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000883695662 1137867395 /nfs/dbraw/zinc/86/73/95/1137867395.db2.gz KCJXNJCGVNUIND-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000101866470 1137871816 /nfs/dbraw/zinc/87/18/16/1137871816.db2.gz GSUYVUDRRAIACD-UHFFFAOYSA-N 1 2 341.455 3.604 20 0 EHADLO O=C(c1csc(-c2cccs2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864072 1137871889 /nfs/dbraw/zinc/87/18/89/1137871889.db2.gz LONVLMCSOHUKCC-UHFFFAOYSA-N 1 2 344.465 3.545 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]1C1CCC1 ZINC000102902595 1137874436 /nfs/dbraw/zinc/87/44/36/1137874436.db2.gz XNJHKOZUMDWYAN-GOSISDBHSA-N 1 2 342.487 3.546 20 0 EHADLO CCOCc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105031617 1137879970 /nfs/dbraw/zinc/87/99/70/1137879970.db2.gz BAHFUYNLSFYBKH-UHFFFAOYSA-N 1 2 342.443 3.632 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000106876933 1137884741 /nfs/dbraw/zinc/88/47/41/1137884741.db2.gz RBZPLQYZPWNNPT-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000106876933 1137884742 /nfs/dbraw/zinc/88/47/42/1137884742.db2.gz RBZPLQYZPWNNPT-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO Cc1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc[nH+]1 ZINC000010165185 1137902794 /nfs/dbraw/zinc/90/27/94/1137902794.db2.gz XZUHJBUWRJQVJH-UHFFFAOYSA-N 1 2 341.411 3.667 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)cs1 ZINC000111376523 1137904585 /nfs/dbraw/zinc/90/45/85/1137904585.db2.gz UZQYHUGMHXDWQM-LBPRGKRZSA-N 1 2 328.437 3.971 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000113264689 1137912303 /nfs/dbraw/zinc/91/23/03/1137912303.db2.gz BGIKUDBDENPQKO-KRWDZBQOSA-N 1 2 337.389 3.999 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000113264689 1137912304 /nfs/dbraw/zinc/91/23/04/1137912304.db2.gz BGIKUDBDENPQKO-KRWDZBQOSA-N 1 2 337.389 3.999 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114804051 1137918984 /nfs/dbraw/zinc/91/89/84/1137918984.db2.gz NEOHHJYCFUZBBW-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C)c1 ZINC000114804219 1137919064 /nfs/dbraw/zinc/91/90/64/1137919064.db2.gz BJYIRAHKTATQGG-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331816630 1137921814 /nfs/dbraw/zinc/92/18/14/1137921814.db2.gz UYAZKHCYPUYYMS-LSDHHAIUSA-N 1 2 344.463 3.625 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)[nH+]1 ZINC000332091653 1137931395 /nfs/dbraw/zinc/93/13/95/1137931395.db2.gz MYUIETCTAVRVHP-LBPRGKRZSA-N 1 2 327.384 3.618 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000118840611 1137935751 /nfs/dbraw/zinc/93/57/51/1137935751.db2.gz KBSIJPCYQJUUSD-PBHICJAKSA-N 1 2 336.439 3.674 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)ccc1F ZINC000118982439 1137937136 /nfs/dbraw/zinc/93/71/36/1137937136.db2.gz XTJJHSJYPXCPOI-SNVBAGLBSA-N 1 2 328.309 3.855 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332315860 1137939565 /nfs/dbraw/zinc/93/95/65/1137939565.db2.gz PGNQBWYQYKHSRI-UHFFFAOYSA-N 1 2 340.214 3.523 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332363113 1137941499 /nfs/dbraw/zinc/94/14/99/1137941499.db2.gz VJNYDKZCMJBCDM-VHSXEESVSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332363113 1137941500 /nfs/dbraw/zinc/94/15/00/1137941500.db2.gz VJNYDKZCMJBCDM-VHSXEESVSA-N 1 2 325.771 3.508 20 0 EHADLO Cc1nc(N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000120353706 1137948879 /nfs/dbraw/zinc/94/88/79/1137948879.db2.gz LZGFVXKPRXLUJT-IFXJQAMLSA-N 1 2 327.428 3.522 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000333168826 1137957185 /nfs/dbraw/zinc/95/71/85/1137957185.db2.gz IXDPODCZVZLIMW-DOTOQJQBSA-N 1 2 329.444 3.572 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000348325346 1137957926 /nfs/dbraw/zinc/95/79/26/1137957926.db2.gz HBMWSQTUMUJOKJ-UHFFFAOYSA-N 1 2 346.471 3.638 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000348325346 1137957927 /nfs/dbraw/zinc/95/79/27/1137957927.db2.gz HBMWSQTUMUJOKJ-UHFFFAOYSA-N 1 2 346.471 3.638 20 0 EHADLO OC[C@@H](C[C@@H]1CCCO1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000884616621 1137964516 /nfs/dbraw/zinc/96/45/16/1137964516.db2.gz ZQEXWERXUAGWLP-KGLIPLIRSA-N 1 2 340.345 3.596 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000884672687 1137966716 /nfs/dbraw/zinc/96/67/16/1137966716.db2.gz AKTDLMAONRJTGQ-CQSZACIVSA-N 1 2 344.377 3.878 20 0 EHADLO CCc1ccc(C[N@@H+]2C[C@H](COc3ccccc3)OC(C)(C)C2)cn1 ZINC000348337044 1137976818 /nfs/dbraw/zinc/97/68/18/1137976818.db2.gz AZJMSKLFZVUTRH-HXUWFJFHSA-N 1 2 340.467 3.702 20 0 EHADLO CCc1ccc(C[N@H+]2C[C@H](COc3ccccc3)OC(C)(C)C2)cn1 ZINC000348337044 1137976820 /nfs/dbraw/zinc/97/68/20/1137976820.db2.gz AZJMSKLFZVUTRH-HXUWFJFHSA-N 1 2 340.467 3.702 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c(F)c1OC ZINC000886188356 1138057009 /nfs/dbraw/zinc/05/70/09/1138057009.db2.gz QDIPEIULOQIYEF-CRAIPNDOSA-N 1 2 333.378 3.958 20 0 EHADLO C(C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)OC1CCCCC1 ZINC000886205902 1138059022 /nfs/dbraw/zinc/05/90/22/1138059022.db2.gz CFBJBTQMFRMHRM-IAGOWNOFSA-N 1 2 349.475 3.797 20 0 EHADLO C(C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)OC1CCCCC1 ZINC000886205902 1138059024 /nfs/dbraw/zinc/05/90/24/1138059024.db2.gz CFBJBTQMFRMHRM-IAGOWNOFSA-N 1 2 349.475 3.797 20 0 EHADLO O=C(Nc1ccccc1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000348376425 1138065108 /nfs/dbraw/zinc/06/51/08/1138065108.db2.gz CIOOZNXFPXWTHT-HNNXBMFYSA-N 1 2 345.393 3.751 20 0 EHADLO O=C(Nc1ccccc1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000348376425 1138065110 /nfs/dbraw/zinc/06/51/10/1138065110.db2.gz CIOOZNXFPXWTHT-HNNXBMFYSA-N 1 2 345.393 3.751 20 0 EHADLO CC(C)CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890266156 1138070028 /nfs/dbraw/zinc/07/00/28/1138070028.db2.gz XRJHXNIWGULPCW-LJQANCHMSA-N 1 2 340.471 3.845 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)[C@H](CO)c3ccccc3C)n2)c1 ZINC000886432393 1138076090 /nfs/dbraw/zinc/07/60/90/1138076090.db2.gz XGBWWJWZYVQXGB-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)[C@H](CO)c3ccccc3C)n2)c1 ZINC000886432393 1138076092 /nfs/dbraw/zinc/07/60/92/1138076092.db2.gz XGBWWJWZYVQXGB-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000886433317 1138076536 /nfs/dbraw/zinc/07/65/36/1138076536.db2.gz GNLMQGWDISCTCW-KRWDZBQOSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000886433317 1138076538 /nfs/dbraw/zinc/07/65/38/1138076538.db2.gz GNLMQGWDISCTCW-KRWDZBQOSA-N 1 2 328.437 3.877 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H]1CCc2cccnc21)c1nc(-c2cccnc2)no1 ZINC000886522259 1138089513 /nfs/dbraw/zinc/08/95/13/1138089513.db2.gz GAHPXQJZFVLLAG-JKSUJKDBSA-N 1 2 335.411 3.501 20 0 EHADLO c1cn(CCCc2ccccc2)c(C[NH2+][C@H]2CCc3cccnc32)n1 ZINC000886536938 1138092700 /nfs/dbraw/zinc/09/27/00/1138092700.db2.gz QRRZBBPWGNWSCS-IBGZPJMESA-N 1 2 332.451 3.688 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000072674275 1138106972 /nfs/dbraw/zinc/10/69/72/1138106972.db2.gz YNGQPKROSGODFU-AWEZNQCLSA-N 1 2 342.399 3.568 20 0 EHADLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000072874928 1138108409 /nfs/dbraw/zinc/10/84/09/1138108409.db2.gz PKPNRWCYLJGIQR-SECBINFHSA-N 1 2 331.641 3.525 20 0 EHADLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000072874928 1138108410 /nfs/dbraw/zinc/10/84/10/1138108410.db2.gz PKPNRWCYLJGIQR-SECBINFHSA-N 1 2 331.641 3.525 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+][C@H]2CCCc3ccccc32)n1 ZINC000886712702 1138122959 /nfs/dbraw/zinc/12/29/59/1138122959.db2.gz KADNTMJUSKPFRE-SFHVURJKSA-N 1 2 337.398 3.967 20 0 EHADLO CCCOc1ccc(OCC[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000076647598 1138133479 /nfs/dbraw/zinc/13/34/79/1138133479.db2.gz YJOLUMIASMRTAQ-UHFFFAOYSA-N 1 2 339.386 3.578 20 0 EHADLO CCCOc1ccc(OCC[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000076647598 1138133481 /nfs/dbraw/zinc/13/34/81/1138133481.db2.gz YJOLUMIASMRTAQ-UHFFFAOYSA-N 1 2 339.386 3.578 20 0 EHADLO C[C@]1(C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCOC2(CCC2)C1 ZINC000886776981 1138138833 /nfs/dbraw/zinc/13/88/33/1138138833.db2.gz VAYOPYHYAUKIAJ-WMZOPIPTSA-N 1 2 332.492 3.755 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079956398 1138159716 /nfs/dbraw/zinc/15/97/16/1138159716.db2.gz QZSVCBBMSBLIFT-UHFFFAOYSA-N 1 2 332.492 3.505 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000089852218 1138206450 /nfs/dbraw/zinc/20/64/50/1138206450.db2.gz BRELMGUQILNAPU-HNAYVOBHSA-N 1 2 335.407 3.866 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1ccccc1 ZINC000089937831 1138207918 /nfs/dbraw/zinc/20/79/18/1138207918.db2.gz VHJMLWIXYUIDJE-MRXNPFEDSA-N 1 2 347.509 3.765 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1ccccc1 ZINC000089937831 1138207919 /nfs/dbraw/zinc/20/79/19/1138207919.db2.gz VHJMLWIXYUIDJE-MRXNPFEDSA-N 1 2 347.509 3.765 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000091413853 1138219429 /nfs/dbraw/zinc/21/94/29/1138219429.db2.gz NIKDOHQHBFVXQM-SJCJKPOMSA-N 1 2 345.393 3.890 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)cc(C)c1OCC(F)(F)F ZINC000092190137 1138225646 /nfs/dbraw/zinc/22/56/46/1138225646.db2.gz SZQAASDFZVPKDX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)cc(C)c1OCC(F)(F)F ZINC000092190137 1138225647 /nfs/dbraw/zinc/22/56/47/1138225647.db2.gz SZQAASDFZVPKDX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)cc(C)c1OCC(F)(F)F ZINC000092190137 1138225648 /nfs/dbraw/zinc/22/56/48/1138225648.db2.gz SZQAASDFZVPKDX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)cc(C)c1OCC(F)(F)F ZINC000092190137 1138225652 /nfs/dbraw/zinc/22/56/52/1138225652.db2.gz SZQAASDFZVPKDX-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+](C)Cc2cnccn2)cc1OC ZINC000092591008 1138229816 /nfs/dbraw/zinc/22/98/16/1138229816.db2.gz GJEXTFYEWCTRCE-UHFFFAOYSA-N 1 2 335.835 3.559 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+](C)Cc2cnccn2)cc1OC ZINC000092591008 1138229817 /nfs/dbraw/zinc/22/98/17/1138229817.db2.gz GJEXTFYEWCTRCE-UHFFFAOYSA-N 1 2 335.835 3.559 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729330 1138231153 /nfs/dbraw/zinc/23/11/53/1138231153.db2.gz JRJDJEAVZNDRPJ-MRXNPFEDSA-N 1 2 325.391 3.666 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729330 1138231155 /nfs/dbraw/zinc/23/11/55/1138231155.db2.gz JRJDJEAVZNDRPJ-MRXNPFEDSA-N 1 2 325.391 3.666 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000093005034 1138233399 /nfs/dbraw/zinc/23/33/99/1138233399.db2.gz FRFMXWMCSNRROE-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000093005034 1138233401 /nfs/dbraw/zinc/23/34/01/1138233401.db2.gz FRFMXWMCSNRROE-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cnccc2Cl)[C@@H](c2ccccc2)C1 ZINC001137239126 1138242044 /nfs/dbraw/zinc/24/20/44/1138242044.db2.gz HYZXUNNLQQTTMP-MAUKXSAKSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cnccc2Cl)[C@@H](c2ccccc2)C1 ZINC001137239126 1138242046 /nfs/dbraw/zinc/24/20/46/1138242046.db2.gz HYZXUNNLQQTTMP-MAUKXSAKSA-N 1 2 344.842 3.861 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000122778027 1138262326 /nfs/dbraw/zinc/26/23/26/1138262326.db2.gz QAQQTBYFGXDDQU-WBVHZDCISA-N 1 2 343.496 3.702 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(C)c1 ZINC001202745559 1138264137 /nfs/dbraw/zinc/26/41/37/1138264137.db2.gz AEVLGAHITZPLPD-MRXNPFEDSA-N 1 2 337.414 3.641 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000123208378 1138267538 /nfs/dbraw/zinc/26/75/38/1138267538.db2.gz WHFBPJIQFQIAMM-DAYGRLMNSA-N 1 2 329.419 3.626 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(-c3ncccn3)n2)CC2(CCCC2)O1 ZINC000333374205 1138282752 /nfs/dbraw/zinc/28/27/52/1138282752.db2.gz WKCGPTZTZCQSON-UHFFFAOYSA-N 1 2 344.484 3.524 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(-c3ncccn3)n2)CC2(CCCC2)O1 ZINC000333374205 1138282756 /nfs/dbraw/zinc/28/27/56/1138282756.db2.gz WKCGPTZTZCQSON-UHFFFAOYSA-N 1 2 344.484 3.524 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000124349672 1138284788 /nfs/dbraw/zinc/28/47/88/1138284788.db2.gz ZWVSLIWVXMWVJY-YOEHRIQHSA-N 1 2 343.858 3.678 20 0 EHADLO c1c2c(sc1-c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000333515765 1138299491 /nfs/dbraw/zinc/29/94/91/1138299491.db2.gz GAROTXZNHOEHAD-ZIAGYGMSSA-N 1 2 345.468 3.603 20 0 EHADLO c1c2c(sc1-c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000333515765 1138299492 /nfs/dbraw/zinc/29/94/92/1138299492.db2.gz GAROTXZNHOEHAD-ZIAGYGMSSA-N 1 2 345.468 3.603 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000125818490 1138317167 /nfs/dbraw/zinc/31/71/67/1138317167.db2.gz ORYLRWLITJMIQB-QFBILLFUSA-N 1 2 325.456 3.542 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125987154 1138320870 /nfs/dbraw/zinc/32/08/70/1138320870.db2.gz LOYOJPIUGGJRRI-RHSMWYFYSA-N 1 2 345.874 3.924 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC001202760814 1138323224 /nfs/dbraw/zinc/32/32/24/1138323224.db2.gz HIAQJPNQJABSHR-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000126124291 1138324420 /nfs/dbraw/zinc/32/44/20/1138324420.db2.gz KKVNOKYIPRFUGZ-HNNXBMFYSA-N 1 2 344.480 3.631 20 0 EHADLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000333732838 1138326522 /nfs/dbraw/zinc/32/65/22/1138326522.db2.gz PYEUNUNWJBBSFF-DLBZAZTESA-N 1 2 341.455 3.960 20 0 EHADLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000333732838 1138326524 /nfs/dbraw/zinc/32/65/24/1138326524.db2.gz PYEUNUNWJBBSFF-DLBZAZTESA-N 1 2 341.455 3.960 20 0 EHADLO CO[C@@H](C[N@H+](C)Cc1ncc(Cl)n1C)c1ccc(Cl)cc1 ZINC000282990063 1138338376 /nfs/dbraw/zinc/33/83/76/1138338376.db2.gz DXDXHYYGQMNPOY-ZDUSSCGKSA-N 1 2 328.243 3.546 20 0 EHADLO CO[C@@H](C[N@@H+](C)Cc1ncc(Cl)n1C)c1ccc(Cl)cc1 ZINC000282990063 1138338381 /nfs/dbraw/zinc/33/83/81/1138338381.db2.gz DXDXHYYGQMNPOY-ZDUSSCGKSA-N 1 2 328.243 3.546 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127113556 1138347097 /nfs/dbraw/zinc/34/70/97/1138347097.db2.gz WJJPBWIAPBUHQH-WFASDCNBSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000127725886 1138368439 /nfs/dbraw/zinc/36/84/39/1138368439.db2.gz CYJOMINRCZZFJX-IRXDYDNUSA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000127725886 1138368444 /nfs/dbraw/zinc/36/84/44/1138368444.db2.gz CYJOMINRCZZFJX-IRXDYDNUSA-N 1 2 325.456 3.569 20 0 EHADLO C[C@H]1CCCC[C@]1(C)n1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531554 1138398845 /nfs/dbraw/zinc/39/88/45/1138398845.db2.gz UBHFECGHSIHVJG-GUYCJALGSA-N 1 2 342.472 3.572 20 0 EHADLO Cc1ccc(/C=C/C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000264149851 1138429292 /nfs/dbraw/zinc/42/92/92/1138429292.db2.gz AFMNNZVHSWPBLJ-FDMDGMSGSA-N 1 2 340.423 3.633 20 0 EHADLO CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[C@@H](C)C(C)C ZINC000264213636 1138444847 /nfs/dbraw/zinc/44/48/47/1138444847.db2.gz HTOIFLHWALTCSF-DLBZAZTESA-N 1 2 347.503 3.978 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000130400960 1138452733 /nfs/dbraw/zinc/45/27/33/1138452733.db2.gz LVNMIRAMOJIERF-GFCCVEGCSA-N 1 2 336.407 3.545 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000337092326 1138464636 /nfs/dbraw/zinc/46/46/36/1138464636.db2.gz MFWQCRGQMRTSEX-HXUWFJFHSA-N 1 2 349.434 3.821 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(C)n1 ZINC000337141364 1138477454 /nfs/dbraw/zinc/47/74/54/1138477454.db2.gz VNHLZWGAFKLVRQ-PXAZEXFGSA-N 1 2 327.428 3.675 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(C)n1 ZINC000337141364 1138477459 /nfs/dbraw/zinc/47/74/59/1138477459.db2.gz VNHLZWGAFKLVRQ-PXAZEXFGSA-N 1 2 327.428 3.675 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000130829021 1138479224 /nfs/dbraw/zinc/47/92/24/1138479224.db2.gz BEUKQONMHMNELH-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000130829021 1138479226 /nfs/dbraw/zinc/47/92/26/1138479226.db2.gz BEUKQONMHMNELH-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO O=C(Nc1ccc2ncccc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337189223 1138490354 /nfs/dbraw/zinc/49/03/54/1138490354.db2.gz RAEWDUBVUVXTCS-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000264425497 1138511299 /nfs/dbraw/zinc/51/12/99/1138511299.db2.gz ZVIZHKRVQRYGJU-CHWSQXEVSA-N 1 2 328.441 3.547 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCCc2ccccc21 ZINC000337325932 1138534486 /nfs/dbraw/zinc/53/44/86/1138534486.db2.gz BCKNIFPLKHDXHI-FQEVSTJZSA-N 1 2 349.478 3.808 20 0 EHADLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337448997 1138572430 /nfs/dbraw/zinc/57/24/30/1138572430.db2.gz JQTRJEBTNRHVSD-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337448997 1138572433 /nfs/dbraw/zinc/57/24/33/1138572433.db2.gz JQTRJEBTNRHVSD-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337474846 1138580027 /nfs/dbraw/zinc/58/00/27/1138580027.db2.gz XZFFISSBNLVVNQ-QGZVFWFLSA-N 1 2 340.467 3.655 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337474846 1138580029 /nfs/dbraw/zinc/58/00/29/1138580029.db2.gz XZFFISSBNLVVNQ-QGZVFWFLSA-N 1 2 340.467 3.655 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000337495290 1138586504 /nfs/dbraw/zinc/58/65/04/1138586504.db2.gz HZUSHCWKJLUIRR-WHIPDFLUSA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000337495290 1138586507 /nfs/dbraw/zinc/58/65/07/1138586507.db2.gz HZUSHCWKJLUIRR-WHIPDFLUSA-N 1 2 345.430 3.950 20 0 EHADLO c1c(-c2ccccc2)oc2ncnc(NCCNc3cccc[nH+]3)c12 ZINC000337528652 1138595943 /nfs/dbraw/zinc/59/59/43/1138595943.db2.gz SWFDFSWFMQYHAR-UHFFFAOYSA-N 1 2 331.379 3.809 20 0 EHADLO O=C(c1ccc(C2CCC2)cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337591031 1138615341 /nfs/dbraw/zinc/61/53/41/1138615341.db2.gz MXYNDFWZCMIILW-FQEVSTJZSA-N 1 2 338.426 3.880 20 0 EHADLO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264724471 1138617623 /nfs/dbraw/zinc/61/76/23/1138617623.db2.gz LPNHZDKRFJGFLJ-LBPRGKRZSA-N 1 2 347.850 3.541 20 0 EHADLO C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000337603635 1138618442 /nfs/dbraw/zinc/61/84/42/1138618442.db2.gz POGWAQSUWRVTOX-NRFANRHFSA-N 1 2 331.419 3.854 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264762517 1138631138 /nfs/dbraw/zinc/63/11/38/1138631138.db2.gz UMMRUIDKYLLUTA-HNNXBMFYSA-N 1 2 335.411 3.612 20 0 EHADLO O=C(CC(F)(F)F)Nc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000337951338 1138706125 /nfs/dbraw/zinc/70/61/25/1138706125.db2.gz SZSCVTZSSXYURK-UHFFFAOYSA-N 1 2 348.328 3.837 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccncc1F ZINC000337953010 1138706581 /nfs/dbraw/zinc/70/65/81/1138706581.db2.gz WFDNQTHZALUCFY-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO COc1cc(Cl)c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OC ZINC000338220107 1138791806 /nfs/dbraw/zinc/79/18/06/1138791806.db2.gz JDCKMZMZANKAQI-UHFFFAOYSA-N 1 2 345.786 3.566 20 0 EHADLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000136884740 1138821049 /nfs/dbraw/zinc/82/10/49/1138821049.db2.gz LRKCHRNRVZEFNO-MRXNPFEDSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2OC)[C@@H](CC)CN1C(C)=O ZINC000338303527 1138825485 /nfs/dbraw/zinc/82/54/85/1138825485.db2.gz HEFUTNSUQCDVNN-LSDHHAIUSA-N 1 2 338.879 3.570 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2OC)[C@@H](CC)CN1C(C)=O ZINC000338303527 1138825492 /nfs/dbraw/zinc/82/54/92/1138825492.db2.gz HEFUTNSUQCDVNN-LSDHHAIUSA-N 1 2 338.879 3.570 20 0 EHADLO CC1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000338324933 1138834824 /nfs/dbraw/zinc/83/48/24/1138834824.db2.gz HIUGIUPWILCSLP-UHFFFAOYSA-N 1 2 344.503 3.697 20 0 EHADLO CC1CCC(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000338358612 1138853445 /nfs/dbraw/zinc/85/34/45/1138853445.db2.gz SRLYHLVDHGKAOL-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC(C)=C(c3ccco3)C2)sc1C ZINC000338369392 1138863971 /nfs/dbraw/zinc/86/39/71/1138863971.db2.gz NWAXQKISRHQVRW-CYBMUJFWSA-N 1 2 345.468 3.859 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC(C)=C(c3ccco3)C2)sc1C ZINC000338369392 1138863978 /nfs/dbraw/zinc/86/39/78/1138863978.db2.gz NWAXQKISRHQVRW-CYBMUJFWSA-N 1 2 345.468 3.859 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccc(C)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338374354 1138867095 /nfs/dbraw/zinc/86/70/95/1138867095.db2.gz WPQDUSVLEGTBCR-HNNXBMFYSA-N 1 2 341.455 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccc(C)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338374354 1138867109 /nfs/dbraw/zinc/86/71/09/1138867109.db2.gz WPQDUSVLEGTBCR-HNNXBMFYSA-N 1 2 341.455 3.603 20 0 EHADLO CC(C)(C)n1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000338396595 1138888172 /nfs/dbraw/zinc/88/81/72/1138888172.db2.gz ZVWHJTPRSRYQQQ-UHFFFAOYSA-N 1 2 343.818 3.730 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338407044 1138897031 /nfs/dbraw/zinc/89/70/31/1138897031.db2.gz CPKDGNMPBKJRSN-NVXWUHKLSA-N 1 2 326.444 3.640 20 0 EHADLO COc1ccc(OC)c(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)c1 ZINC000265476955 1138916979 /nfs/dbraw/zinc/91/69/79/1138916979.db2.gz NSTNOFVTVFFHQU-LBPRGKRZSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1ccc2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000338459953 1138925997 /nfs/dbraw/zinc/92/59/97/1138925997.db2.gz YNBDYQYPGLHBJQ-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338462492 1138926577 /nfs/dbraw/zinc/92/65/77/1138926577.db2.gz QBRYORKEIMEGMO-GOEBONIOSA-N 1 2 344.434 3.637 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000338470410 1138930288 /nfs/dbraw/zinc/93/02/88/1138930288.db2.gz SXHALMXBIGESJG-GJZGRUSLSA-N 1 2 344.434 3.637 20 0 EHADLO C[C@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887882163 1138967125 /nfs/dbraw/zinc/96/71/25/1138967125.db2.gz QDEHMHLILRNNQY-SXUUSABNSA-N 1 2 349.478 3.826 20 0 EHADLO CC[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000151226333 1139018180 /nfs/dbraw/zinc/01/81/80/1139018180.db2.gz BFNGEHRACJPKSC-GOSISDBHSA-N 1 2 340.452 3.692 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000151677871 1139051408 /nfs/dbraw/zinc/05/14/08/1139051408.db2.gz SBLZKWIEAKEJDN-JKIFEVAISA-N 1 2 346.862 3.890 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1ccnc1 ZINC000152003166 1139068497 /nfs/dbraw/zinc/06/84/97/1139068497.db2.gz HEFURAIGYUJIAR-BBRMVZONSA-N 1 2 345.397 3.711 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1ccnc1 ZINC000152003166 1139068501 /nfs/dbraw/zinc/06/85/01/1139068501.db2.gz HEFURAIGYUJIAR-BBRMVZONSA-N 1 2 345.397 3.711 20 0 EHADLO C[C@H]1CCN(Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000152003166 1139068508 /nfs/dbraw/zinc/06/85/08/1139068508.db2.gz HEFURAIGYUJIAR-BBRMVZONSA-N 1 2 345.397 3.711 20 0 EHADLO C[C@@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)Cn1cc[nH+]c1 ZINC000153470239 1139137385 /nfs/dbraw/zinc/13/73/85/1139137385.db2.gz VBWMFBNGDFYBMU-LBPRGKRZSA-N 1 2 340.254 3.575 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1CCC(F)(F)F)[NH+]1CCSCC1 ZINC000153605483 1139143638 /nfs/dbraw/zinc/14/36/38/1139143638.db2.gz FYPCEYKNNDTUFZ-GFCCVEGCSA-N 1 2 346.418 3.557 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000153794718 1139151800 /nfs/dbraw/zinc/15/18/00/1139151800.db2.gz XEQWALIQAIEOAH-SJORKVTESA-N 1 2 343.471 3.535 20 0 EHADLO C[C@@H](CNC(=O)Cc1csc2ccc(Cl)cc12)Cn1cc[nH+]c1 ZINC000153809045 1139152749 /nfs/dbraw/zinc/15/27/49/1139152749.db2.gz WOSKNFDCPXBHBQ-LBPRGKRZSA-N 1 2 347.871 3.746 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1F)Cc1cc(C(=O)OC)ccc1OC ZINC001137249753 1139157271 /nfs/dbraw/zinc/15/72/71/1139157271.db2.gz IDPFTCPUHOUPIF-UHFFFAOYSA-N 1 2 349.377 3.782 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1F)Cc1cc(C(=O)OC)ccc1OC ZINC001137249753 1139157275 /nfs/dbraw/zinc/15/72/75/1139157275.db2.gz IDPFTCPUHOUPIF-UHFFFAOYSA-N 1 2 349.377 3.782 20 0 EHADLO C[C@@]1(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC=CCC1 ZINC000889544314 1139228699 /nfs/dbraw/zinc/22/86/99/1139228699.db2.gz LFQFCRNQPLAVDL-GPMSIDNRSA-N 1 2 328.460 3.603 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H](C2CC2)C1 ZINC000889546111 1139228951 /nfs/dbraw/zinc/22/89/51/1139228951.db2.gz VIWWAMZQMSQLRW-BZSNNMDCSA-N 1 2 342.487 3.636 20 0 EHADLO C[C@H](C1CC1)N(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889555214 1139232571 /nfs/dbraw/zinc/23/25/71/1139232571.db2.gz GVCSUOPMHCPTSB-DJIMGWMZSA-N 1 2 342.487 3.777 20 0 EHADLO Cc1[nH]c(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)[nH+]c1C ZINC001137260929 1139309136 /nfs/dbraw/zinc/30/91/36/1139309136.db2.gz SGYIKPMLPLKSGM-UHFFFAOYSA-N 1 2 346.843 3.733 20 0 EHADLO Cc1[nH]c(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)[nH+]c1C ZINC001137260922 1139309703 /nfs/dbraw/zinc/30/97/03/1139309703.db2.gz RZJFQYPFPNCNRC-UHFFFAOYSA-N 1 2 337.210 3.745 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000826682888 1139315731 /nfs/dbraw/zinc/31/57/31/1139315731.db2.gz RDWVIFGEUCRWPQ-IHPCNDPISA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000826682888 1139315739 /nfs/dbraw/zinc/31/57/39/1139315739.db2.gz RDWVIFGEUCRWPQ-IHPCNDPISA-N 1 2 338.426 3.622 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255299 1139331372 /nfs/dbraw/zinc/33/13/72/1139331372.db2.gz QRHLHPCHGNXQKX-KBAYOESNSA-N 1 2 326.444 3.597 20 0 EHADLO CCC(CC)N(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890258391 1139332856 /nfs/dbraw/zinc/33/28/56/1139332856.db2.gz FIQYZLQGOZOPHY-LJQANCHMSA-N 1 2 340.471 3.987 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000890261799 1139334186 /nfs/dbraw/zinc/33/41/86/1139334186.db2.gz AVEKRQBMOCCPRF-IBGZPJMESA-N 1 2 340.471 3.989 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890264769 1139335351 /nfs/dbraw/zinc/33/53/51/1139335351.db2.gz HTBHFTZLBNVALK-NEWSRXKRSA-N 1 2 340.471 3.845 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000175217563 1139472917 /nfs/dbraw/zinc/47/29/17/1139472917.db2.gz IWRVTNIUVLIBFT-NXOAAHMSSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000175217563 1139472918 /nfs/dbraw/zinc/47/29/18/1139472918.db2.gz IWRVTNIUVLIBFT-NXOAAHMSSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175260014 1139476505 /nfs/dbraw/zinc/47/65/05/1139476505.db2.gz JFVNOSAIUROTJO-JKSUJKDBSA-N 1 2 342.487 3.807 20 0 EHADLO CC(C)C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000178267010 1139683213 /nfs/dbraw/zinc/68/32/13/1139683213.db2.gz QDLVRLHGWYCFBQ-SFHVURJKSA-N 1 2 328.460 3.702 20 0 EHADLO CC(C)(C)O[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178776736 1139717401 /nfs/dbraw/zinc/71/74/01/1139717401.db2.gz MEHVSRMEVDAOCD-SFHVURJKSA-N 1 2 337.423 3.507 20 0 EHADLO CC[C@H](C)OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179125470 1139736845 /nfs/dbraw/zinc/73/68/45/1139736845.db2.gz UGDIAFGEOWVOHC-AWEZNQCLSA-N 1 2 327.428 3.640 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000179652441 1139772548 /nfs/dbraw/zinc/77/25/48/1139772548.db2.gz GPYJNNATOPUXHV-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000179652441 1139772554 /nfs/dbraw/zinc/77/25/54/1139772554.db2.gz GPYJNNATOPUXHV-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(C)c2F)c1C ZINC000179983437 1139798343 /nfs/dbraw/zinc/79/83/43/1139798343.db2.gz UCLOUQHQVUHCBW-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000180261445 1139821576 /nfs/dbraw/zinc/82/15/76/1139821576.db2.gz WSQQCWXHFVBFMY-QGZVFWFLSA-N 1 2 335.835 3.891 20 0 EHADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000180267610 1139823288 /nfs/dbraw/zinc/82/32/88/1139823288.db2.gz RHXSXJNWUUODLJ-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000180267610 1139823293 /nfs/dbraw/zinc/82/32/93/1139823293.db2.gz RHXSXJNWUUODLJ-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO c1cn(CCCSc2nnc(C3CC3)n2Cc2ccccc2)c[nH+]1 ZINC000180430425 1139834416 /nfs/dbraw/zinc/83/44/16/1139834416.db2.gz HDBOWOMMGMONKS-UHFFFAOYSA-N 1 2 339.468 3.583 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000181033432 1139880754 /nfs/dbraw/zinc/88/07/54/1139880754.db2.gz RNOAZQAHHXKAKR-SFHVURJKSA-N 1 2 338.455 3.836 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000181033432 1139880763 /nfs/dbraw/zinc/88/07/63/1139880763.db2.gz RNOAZQAHHXKAKR-SFHVURJKSA-N 1 2 338.455 3.836 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181065448 1139882680 /nfs/dbraw/zinc/88/26/80/1139882680.db2.gz YBUVHVHOSKWPBK-SFHVURJKSA-N 1 2 338.455 3.836 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181065448 1139882691 /nfs/dbraw/zinc/88/26/91/1139882691.db2.gz YBUVHVHOSKWPBK-SFHVURJKSA-N 1 2 338.455 3.836 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181178132 1139889497 /nfs/dbraw/zinc/88/94/97/1139889497.db2.gz LCPVVMGBKNKHQX-WBVHZDCISA-N 1 2 329.444 3.670 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181322081 1139900231 /nfs/dbraw/zinc/90/02/31/1139900231.db2.gz JIVCGJLGWLQRAR-QWHCGFSZSA-N 1 2 344.415 3.561 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1nccn1CC(F)(F)F ZINC000181480106 1139908877 /nfs/dbraw/zinc/90/88/77/1139908877.db2.gz KEJDOXVNHVCLDI-UHFFFAOYSA-N 1 2 337.349 3.817 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000181500590 1139910531 /nfs/dbraw/zinc/91/05/31/1139910531.db2.gz BFVZFALSPFIADC-GFCCVEGCSA-N 1 2 329.400 3.718 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000181500590 1139910535 /nfs/dbraw/zinc/91/05/35/1139910535.db2.gz BFVZFALSPFIADC-GFCCVEGCSA-N 1 2 329.400 3.718 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nccc(N)n1 ZINC000181719929 1139926849 /nfs/dbraw/zinc/92/68/49/1139926849.db2.gz WTMTUWCGARIRIA-INIZCTEOSA-N 1 2 328.460 3.725 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ncc(C(C)(C)C)o1 ZINC000181903489 1139939207 /nfs/dbraw/zinc/93/92/07/1139939207.db2.gz HBZMQGHOQPWSMA-ZIAGYGMSSA-N 1 2 339.443 3.965 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(C(=O)OC)ccc1Cl)c1nccs1 ZINC000182008853 1139944707 /nfs/dbraw/zinc/94/47/07/1139944707.db2.gz PXIBBHTYXXBIOR-INIZCTEOSA-N 1 2 338.860 3.998 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C(C)C)cc1 ZINC000182054737 1139947594 /nfs/dbraw/zinc/94/75/94/1139947594.db2.gz BUDZZNGTDCWZTF-FQEVSTJZSA-N 1 2 336.439 3.763 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cocn3)s2)cc1 ZINC000182076006 1139949161 /nfs/dbraw/zinc/94/91/61/1139949161.db2.gz KCFPNVXICLOBCO-LLVKDONJSA-N 1 2 329.425 3.966 20 0 EHADLO O=C([C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1)N1CCCCC1 ZINC000182337391 1139965807 /nfs/dbraw/zinc/96/58/07/1139965807.db2.gz LUEZVYWQFROLNP-GOSISDBHSA-N 1 2 343.858 3.578 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000182444080 1139972506 /nfs/dbraw/zinc/97/25/06/1139972506.db2.gz UCYLUAQTHCIQOR-UONOGXRCSA-N 1 2 338.411 3.690 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1noc(C2CCOCC2)n1)C(C)C ZINC000183233583 1140023234 /nfs/dbraw/zinc/02/32/34/1140023234.db2.gz VYRRBTNCULKLPA-SFHVURJKSA-N 1 2 329.444 3.759 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)s1 ZINC000183917877 1140065237 /nfs/dbraw/zinc/06/52/37/1140065237.db2.gz UMEVXQYQVFUIMX-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183950482 1140069070 /nfs/dbraw/zinc/06/90/70/1140069070.db2.gz AQUJLTKBPYAHAN-CQSZACIVSA-N 1 2 342.468 3.661 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183950482 1140069073 /nfs/dbraw/zinc/06/90/73/1140069073.db2.gz AQUJLTKBPYAHAN-CQSZACIVSA-N 1 2 342.468 3.661 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184372445 1140098794 /nfs/dbraw/zinc/09/87/94/1140098794.db2.gz OMSRORQDSXBLKK-NSHDSACASA-N 1 2 346.481 3.741 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000184457512 1140104116 /nfs/dbraw/zinc/10/41/16/1140104116.db2.gz NVWVAWAADWZFTO-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000184457512 1140104118 /nfs/dbraw/zinc/10/41/18/1140104118.db2.gz NVWVAWAADWZFTO-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cs1 ZINC000184684418 1140115118 /nfs/dbraw/zinc/11/51/18/1140115118.db2.gz AKLDBBGRBJSVSQ-OLZOCXBDSA-N 1 2 349.475 3.715 20 0 EHADLO Cc1cccc(CS(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)c1 ZINC000185922386 1140177075 /nfs/dbraw/zinc/17/70/75/1140177075.db2.gz LYBIALYEQLTCST-UHFFFAOYSA-N 1 2 344.480 3.661 20 0 EHADLO Cc1cccc(CS(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)c1 ZINC000185922386 1140177080 /nfs/dbraw/zinc/17/70/80/1140177080.db2.gz LYBIALYEQLTCST-UHFFFAOYSA-N 1 2 344.480 3.661 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185996483 1140181423 /nfs/dbraw/zinc/18/14/23/1140181423.db2.gz SKFUSTZTFXJNOA-KXBFYZLASA-N 1 2 327.428 3.583 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)s1 ZINC000186434299 1140203678 /nfs/dbraw/zinc/20/36/78/1140203678.db2.gz NZNIQEXORBQYBP-ZDUSSCGKSA-N 1 2 342.468 3.858 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cn1 ZINC000186642589 1140214532 /nfs/dbraw/zinc/21/45/32/1140214532.db2.gz UEWJXCOHPZRYSK-IFXJQAMLSA-N 1 2 341.434 3.777 20 0 EHADLO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104401 1140239060 /nfs/dbraw/zinc/23/90/60/1140239060.db2.gz PBBUHBWAUYHNRP-NVXWUHKLSA-N 1 2 342.443 3.614 20 0 EHADLO C[C@@H](Cc1ccccc1F)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000188325722 1140291926 /nfs/dbraw/zinc/29/19/26/1140291926.db2.gz UHNJPSDYYGMBGL-HNNXBMFYSA-N 1 2 328.431 3.830 20 0 EHADLO C[C@@H](Cc1ccccc1F)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000188325722 1140291930 /nfs/dbraw/zinc/29/19/30/1140291930.db2.gz UHNJPSDYYGMBGL-HNNXBMFYSA-N 1 2 328.431 3.830 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH+]cn3C)n2)cc1C ZINC000188722446 1140306491 /nfs/dbraw/zinc/30/64/91/1140306491.db2.gz WRTLBUOEVMCNEJ-UHFFFAOYSA-N 1 2 340.452 3.732 20 0 EHADLO CCC(CC)(NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000188858220 1140311248 /nfs/dbraw/zinc/31/12/48/1140311248.db2.gz RXUHKTABIYXHIZ-UHFFFAOYSA-N 1 2 333.863 3.838 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000189978481 1140377204 /nfs/dbraw/zinc/37/72/04/1140377204.db2.gz PWSBRRXHHYPPDV-UHFFFAOYSA-N 1 2 347.503 3.558 20 0 EHADLO CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H](C)Cc1ccsc1 ZINC000190269923 1140395846 /nfs/dbraw/zinc/39/58/46/1140395846.db2.gz ARXSDBZITDPDHV-OAHLLOKOSA-N 1 2 346.500 3.608 20 0 EHADLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1cc(Cl)ccc1F ZINC000191665909 1140477601 /nfs/dbraw/zinc/47/76/01/1140477601.db2.gz LAKMSVKKSZIQOQ-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192143304 1140505988 /nfs/dbraw/zinc/50/59/88/1140505988.db2.gz WMWBCXPMRNWOFJ-NZVBXONLSA-N 1 2 337.370 3.652 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192143288 1140506139 /nfs/dbraw/zinc/50/61/39/1140506139.db2.gz WMWBCXPMRNWOFJ-VCTAVGKDSA-N 1 2 337.370 3.652 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(Cl)c1 ZINC000192255035 1140515206 /nfs/dbraw/zinc/51/52/06/1140515206.db2.gz UWERYDXCIYEQFO-UHFFFAOYSA-N 1 2 348.878 3.721 20 0 EHADLO CCC(CC)(CNC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000193071296 1140561848 /nfs/dbraw/zinc/56/18/48/1140561848.db2.gz UDKJCRVPDTZEIQ-UHFFFAOYSA-N 1 2 347.890 3.880 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193261120 1140568574 /nfs/dbraw/zinc/56/85/74/1140568574.db2.gz JTAQAUPWIHCOGY-MRXNPFEDSA-N 1 2 329.893 3.690 20 0 EHADLO C/C(=C\C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000266281094 1140662824 /nfs/dbraw/zinc/66/28/24/1140662824.db2.gz UXIYMJLKVISGHF-YQCJOKCJSA-N 1 2 337.345 3.510 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266279121 1140663244 /nfs/dbraw/zinc/66/32/44/1140663244.db2.gz JXCGTERNHWAHOC-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266495710 1140694617 /nfs/dbraw/zinc/69/46/17/1140694617.db2.gz RFMFLLIUADDJIG-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO Fc1ccc(Br)c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266726940 1140719317 /nfs/dbraw/zinc/71/93/17/1140719317.db2.gz IQNBQPFRGANUIF-UHFFFAOYSA-N 1 2 338.224 3.691 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000267006470 1140749841 /nfs/dbraw/zinc/74/98/41/1140749841.db2.gz QBQHORFGAYDCTR-ILXRZTDVSA-N 1 2 348.878 3.759 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000267131138 1140760991 /nfs/dbraw/zinc/76/09/91/1140760991.db2.gz DIQLWKQMGAMWBW-QRWLVFNGSA-N 1 2 325.431 3.587 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267503528 1140797872 /nfs/dbraw/zinc/79/78/72/1140797872.db2.gz ZSWWKGOOIQWLIE-UHFFFAOYSA-N 1 2 340.427 3.610 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000267969218 1140858535 /nfs/dbraw/zinc/85/85/35/1140858535.db2.gz UXNLTLLRYOZQLY-LBPRGKRZSA-N 1 2 340.349 3.588 20 0 EHADLO Cc1csc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000268112168 1140884621 /nfs/dbraw/zinc/88/46/21/1140884621.db2.gz MJHRATDNHSYFMY-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1csc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000268112168 1140884635 /nfs/dbraw/zinc/88/46/35/1140884635.db2.gz MJHRATDNHSYFMY-MRXNPFEDSA-N 1 2 328.437 3.780 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000268119000 1140886507 /nfs/dbraw/zinc/88/65/07/1140886507.db2.gz KXUWWFXTRYAZNF-QGZVFWFLSA-N 1 2 340.471 3.653 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000268318356 1140919581 /nfs/dbraw/zinc/91/95/81/1140919581.db2.gz JVZAOASKCKJYOJ-UHFFFAOYSA-N 1 2 335.451 3.580 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000268318356 1140919582 /nfs/dbraw/zinc/91/95/82/1140919582.db2.gz JVZAOASKCKJYOJ-UHFFFAOYSA-N 1 2 335.451 3.580 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268347004 1140924054 /nfs/dbraw/zinc/92/40/54/1140924054.db2.gz BZJDRIWWXWMRPA-ZIAGYGMSSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268347004 1140924057 /nfs/dbraw/zinc/92/40/57/1140924057.db2.gz BZJDRIWWXWMRPA-ZIAGYGMSSA-N 1 2 337.851 3.535 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000268390629 1140932654 /nfs/dbraw/zinc/93/26/54/1140932654.db2.gz QJNMESYXJOYJSC-MJGOQNOKSA-N 1 2 337.467 3.641 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2ccn(C3CCCC3)n2)cc1OC ZINC000268630084 1140964574 /nfs/dbraw/zinc/96/45/74/1140964574.db2.gz BMESTHQTSXFWIC-UHFFFAOYSA-N 1 2 343.471 3.956 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2ccn(C3CCCC3)n2)cc1OC ZINC000268630084 1140964575 /nfs/dbraw/zinc/96/45/75/1140964575.db2.gz BMESTHQTSXFWIC-UHFFFAOYSA-N 1 2 343.471 3.956 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1nnc2n1CCCCC2 ZINC000268821354 1140999645 /nfs/dbraw/zinc/99/96/45/1140999645.db2.gz HFYJSXZVQZWCJY-GOEBONIOSA-N 1 2 328.460 3.815 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(C)n1 ZINC000268830513 1141002709 /nfs/dbraw/zinc/00/27/09/1141002709.db2.gz KKQBFCBWFYQYIF-AWEZNQCLSA-N 1 2 347.466 3.619 20 0 EHADLO CC/C(=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269714724 1141138519 /nfs/dbraw/zinc/13/85/19/1141138519.db2.gz ULZDOPCKUDITCI-VOGRQWBCSA-N 1 2 339.439 3.618 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1F ZINC000269750952 1141141401 /nfs/dbraw/zinc/14/14/01/1141141401.db2.gz QLWRCDUDOWJOEX-LBPRGKRZSA-N 1 2 333.382 3.588 20 0 EHADLO O=C1C[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)CN1Cc1ccccc1 ZINC000270190009 1141190114 /nfs/dbraw/zinc/19/01/14/1141190114.db2.gz BTTAGBXISLJXAP-CQSZACIVSA-N 1 2 349.356 3.561 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1C ZINC000270228353 1141194309 /nfs/dbraw/zinc/19/43/09/1141194309.db2.gz HYJKSOKXGSJEJB-HUUCEWRRSA-N 1 2 336.439 3.722 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(CC(C)C)c3C(F)F)ccc2[nH+]1 ZINC000270281326 1141201334 /nfs/dbraw/zinc/20/13/34/1141201334.db2.gz IXBUPZATXSNWHE-UHFFFAOYSA-N 1 2 347.369 3.685 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3cccc(C)c3)nc(=O)c2c1C ZINC000270633852 1141249012 /nfs/dbraw/zinc/24/90/12/1141249012.db2.gz QTGMUTWQOGSUHE-UHFFFAOYSA-N 1 2 327.453 3.954 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)Cc3cccc(C)c3)nc(=O)c2c1C ZINC000270633852 1141249017 /nfs/dbraw/zinc/24/90/17/1141249017.db2.gz QTGMUTWQOGSUHE-UHFFFAOYSA-N 1 2 327.453 3.954 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734704 1141264162 /nfs/dbraw/zinc/26/41/62/1141264162.db2.gz VOODRUXOQMBAFV-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734704 1141264169 /nfs/dbraw/zinc/26/41/69/1141264169.db2.gz VOODRUXOQMBAFV-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO CC(C)c1noc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000271092081 1141306889 /nfs/dbraw/zinc/30/68/89/1141306889.db2.gz WUQCXQFPNRYCNG-UHFFFAOYSA-N 1 2 335.411 3.720 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000271118235 1141309845 /nfs/dbraw/zinc/30/98/45/1141309845.db2.gz KIKWJWXIEILAFR-PKOBYXMFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000271118235 1141309851 /nfs/dbraw/zinc/30/98/51/1141309851.db2.gz KIKWJWXIEILAFR-PKOBYXMFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cscn1 ZINC000271193788 1141322752 /nfs/dbraw/zinc/32/27/52/1141322752.db2.gz YBABNTGWKHSKRI-AWEZNQCLSA-N 1 2 326.469 3.856 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000271392103 1141356720 /nfs/dbraw/zinc/35/67/20/1141356720.db2.gz UCGJMNRGTFYYAG-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000271392103 1141356726 /nfs/dbraw/zinc/35/67/26/1141356726.db2.gz UCGJMNRGTFYYAG-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1N(C)C ZINC000271546762 1141395113 /nfs/dbraw/zinc/39/51/13/1141395113.db2.gz ZGHKKOCLTOEEJK-MEDUHNTESA-N 1 2 338.373 3.554 20 0 EHADLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(-c2ccccc2)n1 ZINC000271562011 1141397378 /nfs/dbraw/zinc/39/73/78/1141397378.db2.gz SKIZDCGZYOROTD-UHFFFAOYSA-N 1 2 341.484 3.526 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1cn[nH]c1 ZINC000274133570 1141478467 /nfs/dbraw/zinc/47/84/67/1141478467.db2.gz WNYWVKWEINWKNY-NSHDSACASA-N 1 2 332.860 3.961 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000339201467 1141526764 /nfs/dbraw/zinc/52/67/64/1141526764.db2.gz RUXSYFPNEKVSHK-UKRRQHHQSA-N 1 2 331.847 3.648 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217407 1141531439 /nfs/dbraw/zinc/53/14/39/1141531439.db2.gz CHZCBXAUZIGGDF-KDOFPFPSSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217407 1141531443 /nfs/dbraw/zinc/53/14/43/1141531443.db2.gz CHZCBXAUZIGGDF-KDOFPFPSSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000283062849 1141545989 /nfs/dbraw/zinc/54/59/89/1141545989.db2.gz CMIXWWJJANGDNJ-MRXNPFEDSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000348654633 1141563027 /nfs/dbraw/zinc/56/30/27/1141563027.db2.gz NZURQHPBPGRZGS-UHFFFAOYSA-N 1 2 342.439 3.796 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348792103 1141580182 /nfs/dbraw/zinc/58/01/82/1141580182.db2.gz BDDZMGCFGFULCA-JTQLQIEISA-N 1 2 347.340 3.683 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348792103 1141580185 /nfs/dbraw/zinc/58/01/85/1141580185.db2.gz BDDZMGCFGFULCA-JTQLQIEISA-N 1 2 347.340 3.683 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc[nH]c1C1CC1 ZINC000283279356 1141583721 /nfs/dbraw/zinc/58/37/21/1141583721.db2.gz BMFJKVWARFQIFH-UHFFFAOYSA-N 1 2 338.455 3.598 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1ccccc1OCC1CC1 ZINC000349064198 1141632126 /nfs/dbraw/zinc/63/21/26/1141632126.db2.gz UJNTWAKZFAERGX-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1ccccc1OCC1CC1 ZINC000349064198 1141632128 /nfs/dbraw/zinc/63/21/28/1141632128.db2.gz UJNTWAKZFAERGX-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069002152 215351378 /nfs/dbraw/zinc/35/13/78/215351378.db2.gz QSLCOEWQVCTGSD-UHFFFAOYSA-N 1 2 341.480 3.545 20 0 EHADLO Cc1csc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000038091111 213201400 /nfs/dbraw/zinc/20/14/00/213201400.db2.gz NYPOREBVYLCXST-GFCCVEGCSA-N 1 2 339.258 3.827 20 0 EHADLO Cc1ccccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289738 212288969 /nfs/dbraw/zinc/28/89/69/212288969.db2.gz VTIKXCLKPYLPJP-UHFFFAOYSA-N 1 2 329.469 3.619 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nccc(C(F)(F)F)n2)c1C ZINC000078709279 217105831 /nfs/dbraw/zinc/10/58/31/217105831.db2.gz UVVFXNVMRSTMIT-UHFFFAOYSA-N 1 2 329.347 3.808 20 0 EHADLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccnc3ccccc32)c1 ZINC000154148914 224210671 /nfs/dbraw/zinc/21/06/71/224210671.db2.gz GOYUFXFYYDLDJE-UHFFFAOYSA-N 1 2 328.375 3.888 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000363375167 519763921 /nfs/dbraw/zinc/76/39/21/519763921.db2.gz PUVOJHPSKVBJLK-KRWDZBQOSA-N 1 2 327.428 3.812 20 0 EHADLO CCc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1F ZINC000575603405 564082322 /nfs/dbraw/zinc/08/23/22/564082322.db2.gz GBOXAABLNJCXJO-OAHLLOKOSA-N 1 2 330.407 3.737 20 0 EHADLO COC1(C(F)(F)F)CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000417151542 564094711 /nfs/dbraw/zinc/09/47/11/564094711.db2.gz LICHIKCQEVMGHE-UHFFFAOYSA-N 1 2 345.365 3.582 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1O ZINC000225503206 564135642 /nfs/dbraw/zinc/13/56/42/564135642.db2.gz ONRKNRMPWVMLQE-HNNXBMFYSA-N 1 2 343.427 3.779 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1O ZINC000225503206 564135643 /nfs/dbraw/zinc/13/56/43/564135643.db2.gz ONRKNRMPWVMLQE-HNNXBMFYSA-N 1 2 343.427 3.779 20 0 EHADLO Clc1cscc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826353944 608520258 /nfs/dbraw/zinc/52/02/58/608520258.db2.gz KDJHBIMMTIFFIM-UHFFFAOYSA-N 1 2 345.859 3.746 20 0 EHADLO Clc1cscc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826353944 608520260 /nfs/dbraw/zinc/52/02/60/608520260.db2.gz KDJHBIMMTIFFIM-UHFFFAOYSA-N 1 2 345.859 3.746 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826268768 609160326 /nfs/dbraw/zinc/16/03/26/609160326.db2.gz MOVLZJTYXZJKRA-LJQANCHMSA-N 1 2 348.454 3.731 20 0 EHADLO Cc1cc(N[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)ccc1[NH+](C)C ZINC000826271632 609277398 /nfs/dbraw/zinc/27/73/98/609277398.db2.gz ZPBUTEMZMQVYES-GOSISDBHSA-N 1 2 348.454 3.731 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(-c2nn[nH]n2)c1 ZINC000822766238 946169633 /nfs/dbraw/zinc/16/96/33/946169633.db2.gz GLKONLMEECYMBG-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(-c2nn[nH]n2)c1 ZINC000822766238 946169637 /nfs/dbraw/zinc/16/96/37/946169637.db2.gz GLKONLMEECYMBG-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO CC(C)Oc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cn1 ZINC000278702072 1032059641 /nfs/dbraw/zinc/05/96/41/1032059641.db2.gz QXGQPAQJOTZYCQ-UHFFFAOYSA-N 1 2 331.363 3.634 20 0 EHADLO O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000153236057 1125458553 /nfs/dbraw/zinc/45/85/53/1125458553.db2.gz HLJGRIPPTCEGMZ-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO Cc1cc(CNC(=O)Nc2c3c(ccc2Cl)OCC3)cc(C)[nH+]1 ZINC000584285030 1032064972 /nfs/dbraw/zinc/06/49/72/1032064972.db2.gz NHSIGJHHVXMOQA-UHFFFAOYSA-N 1 2 331.803 3.608 20 0 EHADLO O=C(Nc1cccc(OC2CCCC2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536651040 1032065397 /nfs/dbraw/zinc/06/53/97/1032065397.db2.gz GOBCGWLAWVMIAH-UHFFFAOYSA-N 1 2 348.406 3.841 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000649752593 1125475644 /nfs/dbraw/zinc/47/56/44/1125475644.db2.gz MKNABJVTNIRAAM-RTBURBONSA-N 1 2 342.483 3.592 20 0 EHADLO Cc1cc(N(Cc2ccccc2)CC2(CO)CC2)nc(C(C)C)[nH+]1 ZINC000343722464 1032073128 /nfs/dbraw/zinc/07/31/28/1032073128.db2.gz XXQZAVWULMKWBI-UHFFFAOYSA-N 1 2 325.456 3.688 20 0 EHADLO CCNC(=O)[C@H]([NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C ZINC000339317479 1014210176 /nfs/dbraw/zinc/21/01/76/1014210176.db2.gz TXZAMSJJGRRLEZ-MRXNPFEDSA-N 1 2 349.862 3.554 20 0 EHADLO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108533 1014332012 /nfs/dbraw/zinc/33/20/12/1014332012.db2.gz DUYBYIMUKWXKHQ-BEFAXECRSA-N 1 2 346.352 3.893 20 0 EHADLO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108533 1014332023 /nfs/dbraw/zinc/33/20/23/1014332023.db2.gz DUYBYIMUKWXKHQ-BEFAXECRSA-N 1 2 346.352 3.893 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186702407 1014352879 /nfs/dbraw/zinc/35/28/79/1014352879.db2.gz WILSRGVUSZFZLB-ORAYPTAESA-N 1 2 327.428 3.560 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186702407 1014352893 /nfs/dbraw/zinc/35/28/93/1014352893.db2.gz WILSRGVUSZFZLB-ORAYPTAESA-N 1 2 327.428 3.560 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1Cl ZINC001143372432 1014522547 /nfs/dbraw/zinc/52/25/47/1014522547.db2.gz IOIHRAJSCQLJAT-LBPRGKRZSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1Cl ZINC001143372432 1014522566 /nfs/dbraw/zinc/52/25/66/1014522566.db2.gz IOIHRAJSCQLJAT-LBPRGKRZSA-N 1 2 336.794 3.536 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000153937220 1014603078 /nfs/dbraw/zinc/60/30/78/1014603078.db2.gz FWIPKDIHVUTGQE-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000153937220 1014603084 /nfs/dbraw/zinc/60/30/84/1014603084.db2.gz FWIPKDIHVUTGQE-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc3ccc(Cl)cn23)c(F)c1 ZINC000339523509 1014692849 /nfs/dbraw/zinc/69/28/49/1014692849.db2.gz LTTPDKRBMMZNPD-UHFFFAOYSA-N 1 2 325.721 3.695 20 0 EHADLO Cc1ccccc1NC(=S)N1CC[NH+](Cc2cccs2)CC1 ZINC000022271968 1014738204 /nfs/dbraw/zinc/73/82/04/1014738204.db2.gz LKFKJTKGNDLCNH-UHFFFAOYSA-N 1 2 331.510 3.571 20 0 EHADLO Cc1cc(C)c(Nc2ncc(Br)nc2N2CCCC2)c[nH+]1 ZINC001213505967 1014746672 /nfs/dbraw/zinc/74/66/72/1014746672.db2.gz WIEQIUUHFUWRKF-UHFFFAOYSA-N 1 2 348.248 3.595 20 0 EHADLO COc1cc[nH+]cc1NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000119174068 1014936480 /nfs/dbraw/zinc/93/64/80/1014936480.db2.gz VTHVDIXLWADURS-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO COC(=O)[C@H]([N@H+](C)Cc1ccc(Cl)c(Cl)c1)C1(OC)CCC1 ZINC000520890646 1014952568 /nfs/dbraw/zinc/95/25/68/1014952568.db2.gz AITQAEXODJOCCG-AWEZNQCLSA-N 1 2 346.254 3.536 20 0 EHADLO COC(=O)[C@H]([N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C1(OC)CCC1 ZINC000520890646 1014952579 /nfs/dbraw/zinc/95/25/79/1014952579.db2.gz AITQAEXODJOCCG-AWEZNQCLSA-N 1 2 346.254 3.536 20 0 EHADLO CCOc1nn(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)s1 ZINC000065944282 1015005325 /nfs/dbraw/zinc/00/53/25/1015005325.db2.gz SFTYCRNUJSBNHB-MPEURRAXSA-N 1 2 325.503 3.541 20 0 EHADLO CCOc1nn(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)s1 ZINC000065944282 1015005333 /nfs/dbraw/zinc/00/53/33/1015005333.db2.gz SFTYCRNUJSBNHB-MPEURRAXSA-N 1 2 325.503 3.541 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538025670 1032109469 /nfs/dbraw/zinc/10/94/69/1032109469.db2.gz CMTKJFYVTNUXQP-UVBJJODRSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538025670 1032109478 /nfs/dbraw/zinc/10/94/78/1032109478.db2.gz CMTKJFYVTNUXQP-UVBJJODRSA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000066438048 1015116083 /nfs/dbraw/zinc/11/60/83/1015116083.db2.gz HDXKWRJKONIEOW-KRWDZBQOSA-N 1 2 342.405 3.918 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000066438048 1015116089 /nfs/dbraw/zinc/11/60/89/1015116089.db2.gz HDXKWRJKONIEOW-KRWDZBQOSA-N 1 2 342.405 3.918 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2c1 ZINC000683228657 1015168002 /nfs/dbraw/zinc/16/80/02/1015168002.db2.gz WHRATVNVOASXJT-UHFFFAOYSA-N 1 2 348.450 3.657 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C\C2CCCC2)c1)[NH+]1CCOCC1 ZINC000843544123 1015239146 /nfs/dbraw/zinc/23/91/46/1015239146.db2.gz JCTGSTIIZWRTLH-YDZSZYSISA-N 1 2 328.456 3.765 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000154229469 1015252760 /nfs/dbraw/zinc/25/27/60/1015252760.db2.gz NDQBWVNCTFMXPL-MJQMVNBJSA-N 1 2 340.471 3.668 20 0 EHADLO c1ccc(CSc2cc[nH+]c(N3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)c2)cc1 ZINC001167080686 1015280853 /nfs/dbraw/zinc/28/08/53/1015280853.db2.gz BKBTYUQOQVBRME-SEXKYXSUSA-N 1 2 338.476 3.988 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000655277340 1015308008 /nfs/dbraw/zinc/30/80/08/1015308008.db2.gz PKEOAGIQPZYGDO-UYAOXDASSA-N 1 2 349.478 3.980 20 0 EHADLO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2noc(C3CCC3)n2)c1 ZINC000625097851 1015513214 /nfs/dbraw/zinc/51/32/14/1015513214.db2.gz FVDKTHIYONCETR-MRXNPFEDSA-N 1 2 327.428 3.553 20 0 EHADLO COc1cccc(C[C@H]2CCC[N@H+]2Cc2noc(C3CCC3)n2)c1 ZINC000625097851 1015513226 /nfs/dbraw/zinc/51/32/26/1015513226.db2.gz FVDKTHIYONCETR-MRXNPFEDSA-N 1 2 327.428 3.553 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000154520018 1015520033 /nfs/dbraw/zinc/52/00/33/1015520033.db2.gz ZAMWODFLQIXYDN-APWZRJJASA-N 1 2 340.471 3.818 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000066701014 1015522032 /nfs/dbraw/zinc/52/20/32/1015522032.db2.gz WMPVBMPYHSWQCO-QGZVFWFLSA-N 1 2 340.471 3.674 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000683256884 1015548951 /nfs/dbraw/zinc/54/89/51/1015548951.db2.gz QBAMXWQGDCEAHY-AEFFLSMTSA-N 1 2 331.504 3.923 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000179759855 1015606974 /nfs/dbraw/zinc/60/69/74/1015606974.db2.gz SKMRNEIHVBUAGX-UHFFFAOYSA-N 1 2 344.846 3.640 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000179759855 1015606989 /nfs/dbraw/zinc/60/69/89/1015606989.db2.gz SKMRNEIHVBUAGX-UHFFFAOYSA-N 1 2 344.846 3.640 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cccc3c1OCCO3)CC2 ZINC000339732812 1015615715 /nfs/dbraw/zinc/61/57/15/1015615715.db2.gz BXGDPALVINADLT-UHFFFAOYSA-N 1 2 345.826 3.678 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cccc3c1OCCO3)CC2 ZINC000339732812 1015615719 /nfs/dbraw/zinc/61/57/19/1015615719.db2.gz BXGDPALVINADLT-UHFFFAOYSA-N 1 2 345.826 3.678 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(CCc3ccccc3)o2)c1 ZINC000339744127 1015645268 /nfs/dbraw/zinc/64/52/68/1015645268.db2.gz GLINIGOUAQIWCY-UHFFFAOYSA-N 1 2 341.436 3.859 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000182727263 1032124048 /nfs/dbraw/zinc/12/40/48/1032124048.db2.gz RTDGUBFDKGHBBW-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000182727263 1032124061 /nfs/dbraw/zinc/12/40/61/1032124061.db2.gz RTDGUBFDKGHBBW-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825283 1015707496 /nfs/dbraw/zinc/70/74/96/1015707496.db2.gz ZQUBUFMXXPKLFZ-BLLLJJGKSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825283 1015707504 /nfs/dbraw/zinc/70/75/04/1015707504.db2.gz ZQUBUFMXXPKLFZ-BLLLJJGKSA-N 1 2 342.842 3.553 20 0 EHADLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2SC(F)F)C[C@@H](C)S1 ZINC000075893656 1015824177 /nfs/dbraw/zinc/82/41/77/1015824177.db2.gz GWCZIZOZVJLGKO-GHMZBOCLSA-N 1 2 346.468 3.766 20 0 EHADLO CC1CC[NH+](c2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)CC1 ZINC000077187757 1015868922 /nfs/dbraw/zinc/86/89/22/1015868922.db2.gz LACHIYHQFMZCBI-UHFFFAOYSA-N 1 2 334.427 3.642 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258212 994539734 /nfs/dbraw/zinc/53/97/34/994539734.db2.gz XSZGOVKEOLIJEI-NVXWUHKLSA-N 1 2 342.439 3.541 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258212 994539748 /nfs/dbraw/zinc/53/97/48/994539748.db2.gz XSZGOVKEOLIJEI-NVXWUHKLSA-N 1 2 342.439 3.541 20 0 EHADLO CCn1nncc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000459447691 1032132128 /nfs/dbraw/zinc/13/21/28/1032132128.db2.gz RBPPJAMJZWFXIC-MRXNPFEDSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nncc1C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000459447691 1032132133 /nfs/dbraw/zinc/13/21/33/1032132133.db2.gz RBPPJAMJZWFXIC-MRXNPFEDSA-N 1 2 349.276 3.706 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cccc2c1N=S=N2)Cc1cccnc1 ZINC000125740536 1015922038 /nfs/dbraw/zinc/92/20/38/1015922038.db2.gz RXJBPJFJPXWXGS-UHFFFAOYSA-N 1 2 341.440 3.657 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)Cc1cccnc1 ZINC000125740536 1015922048 /nfs/dbraw/zinc/92/20/48/1015922048.db2.gz RXJBPJFJPXWXGS-UHFFFAOYSA-N 1 2 341.440 3.657 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCCC[C@H]12 ZINC000045736781 1015940769 /nfs/dbraw/zinc/94/07/69/1015940769.db2.gz VPXNCUTVBOPQJY-AHRSYUTCSA-N 1 2 337.467 3.972 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000339956775 1016071597 /nfs/dbraw/zinc/07/15/97/1016071597.db2.gz WVTKJDHMVBMCGY-UHFFFAOYSA-N 1 2 348.381 3.913 20 0 EHADLO C[C@H]1CC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)C1 ZINC000183177591 1032140198 /nfs/dbraw/zinc/14/01/98/1032140198.db2.gz IMILIHWDTPRPJY-HZPDHXFCSA-N 1 2 325.456 3.620 20 0 EHADLO c1csc(CN(C[C@H]2CCCO2)c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000340024624 1016137245 /nfs/dbraw/zinc/13/72/45/1016137245.db2.gz NGAAKQFORWNDMS-OAHLLOKOSA-N 1 2 344.484 3.546 20 0 EHADLO c1csc(CN(C[C@H]2CCCO2)c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000340024624 1016137255 /nfs/dbraw/zinc/13/72/55/1016137255.db2.gz NGAAKQFORWNDMS-OAHLLOKOSA-N 1 2 344.484 3.546 20 0 EHADLO C[C@@H]1CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)C1 ZINC000183187342 1032141102 /nfs/dbraw/zinc/14/11/02/1032141102.db2.gz UXOZXSOGRNKNFD-HOTGVXAUSA-N 1 2 329.488 3.760 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC001204439602 1016186153 /nfs/dbraw/zinc/18/61/53/1016186153.db2.gz ZQPHQGHYJCZQTC-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC001204439602 1016186159 /nfs/dbraw/zinc/18/61/59/1016186159.db2.gz ZQPHQGHYJCZQTC-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO Cc1nc(C2CCCCC2)cc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167125519 1016206117 /nfs/dbraw/zinc/20/61/17/1016206117.db2.gz JZHRVYOZZSSEHU-UHFFFAOYSA-N 1 2 325.460 3.871 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1 ZINC000037844403 1016207425 /nfs/dbraw/zinc/20/74/25/1016207425.db2.gz FRFIENVUOOBADR-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374937 999413394 /nfs/dbraw/zinc/41/33/94/999413394.db2.gz VDHCHCNUPMOPHF-GJZGRUSLSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374937 999413395 /nfs/dbraw/zinc/41/33/95/999413395.db2.gz VDHCHCNUPMOPHF-GJZGRUSLSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374937 999413399 /nfs/dbraw/zinc/41/33/99/999413399.db2.gz VDHCHCNUPMOPHF-GJZGRUSLSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374937 999413401 /nfs/dbraw/zinc/41/34/01/999413401.db2.gz VDHCHCNUPMOPHF-GJZGRUSLSA-N 1 2 336.501 3.533 20 0 EHADLO FC(F)(F)c1cc(-c2cccs2)n(CCCn2cc[nH+]c2)n1 ZINC000634633034 1016319546 /nfs/dbraw/zinc/31/95/46/1016319546.db2.gz HTHNXDGZLVASMC-UHFFFAOYSA-N 1 2 326.347 3.917 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCC[C@@H]1C ZINC000340132668 1016389662 /nfs/dbraw/zinc/38/96/62/1016389662.db2.gz ZKVAEHIMILRPMF-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000613554432 1016414207 /nfs/dbraw/zinc/41/42/07/1016414207.db2.gz HMERQYLBNSHYED-RTBURBONSA-N 1 2 343.430 3.780 20 0 EHADLO CCO[C@@H](c1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041954 1016464677 /nfs/dbraw/zinc/46/46/77/1016464677.db2.gz SAUJRSICAKAAFV-DLBZAZTESA-N 1 2 327.428 3.885 20 0 EHADLO CCO[C@@H](c1noc([C@@H]2CC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041954 1016464684 /nfs/dbraw/zinc/46/46/84/1016464684.db2.gz SAUJRSICAKAAFV-DLBZAZTESA-N 1 2 327.428 3.885 20 0 EHADLO CSc1cc[nH+]c(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001167175328 1016476580 /nfs/dbraw/zinc/47/65/80/1016476580.db2.gz HOSZFNQDUUABAG-BETUJISGSA-N 1 2 334.448 3.838 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000652000361 1016502226 /nfs/dbraw/zinc/50/22/26/1016502226.db2.gz HGNVWBCFIWSXGG-OAHLLOKOSA-N 1 2 327.428 3.658 20 0 EHADLO O=C(CCSc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049412130 1016709217 /nfs/dbraw/zinc/70/92/17/1016709217.db2.gz XZAUACGVTVFZER-UHFFFAOYSA-N 1 2 346.521 3.575 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)O1 ZINC000340218479 1016719544 /nfs/dbraw/zinc/71/95/44/1016719544.db2.gz PNERUMIFODLIBS-KRWDZBQOSA-N 1 2 337.423 3.741 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)O1 ZINC000340218479 1016719557 /nfs/dbraw/zinc/71/95/57/1016719557.db2.gz PNERUMIFODLIBS-KRWDZBQOSA-N 1 2 337.423 3.741 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)o1 ZINC000340218479 1016719571 /nfs/dbraw/zinc/71/95/71/1016719571.db2.gz PNERUMIFODLIBS-KRWDZBQOSA-N 1 2 337.423 3.741 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)o1 ZINC000340218479 1016719585 /nfs/dbraw/zinc/71/95/85/1016719585.db2.gz PNERUMIFODLIBS-KRWDZBQOSA-N 1 2 337.423 3.741 20 0 EHADLO O=C(Nc1cc(Cl)ccc1O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340244212 1016773869 /nfs/dbraw/zinc/77/38/69/1016773869.db2.gz VZXHTVWKNFVKIU-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO C[C@H](NCc1cn2c([nH+]1)CCCC2)c1nc(C(F)(F)F)cs1 ZINC000343836639 1016789622 /nfs/dbraw/zinc/78/96/22/1016789622.db2.gz CQFGKGPERZOWPL-VIFPVBQESA-N 1 2 330.379 3.546 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000155422056 1016952191 /nfs/dbraw/zinc/95/21/91/1016952191.db2.gz JOFXCLFIGYVJGF-KRWDZBQOSA-N 1 2 333.476 3.518 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376628126 1016959379 /nfs/dbraw/zinc/95/93/79/1016959379.db2.gz QUEKYWVHIKSEJF-CYBMUJFWSA-N 1 2 327.428 3.675 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376628126 1016959421 /nfs/dbraw/zinc/95/94/21/1016959421.db2.gz QUEKYWVHIKSEJF-CYBMUJFWSA-N 1 2 327.428 3.675 20 0 EHADLO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000340335839 1016963078 /nfs/dbraw/zinc/96/30/78/1016963078.db2.gz KDQZZBXYYNLLRU-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCc2[nH+]ccn2C1 ZINC000376717002 1017000928 /nfs/dbraw/zinc/00/09/28/1017000928.db2.gz XFJFBBITDWNHRX-HNNXBMFYSA-N 1 2 329.403 3.655 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)no1 ZINC000449095776 1032175401 /nfs/dbraw/zinc/17/54/01/1032175401.db2.gz AYGIWGHBKHVXNH-CYBMUJFWSA-N 1 2 325.181 3.662 20 0 EHADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(O)c1 ZINC000080916560 1032204885 /nfs/dbraw/zinc/20/48/85/1032204885.db2.gz HJUSLRWCCIWIMB-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(O)c1 ZINC000080916560 1032204895 /nfs/dbraw/zinc/20/48/95/1032204895.db2.gz HJUSLRWCCIWIMB-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO CC(C)(C)CC(C)(C)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000904741501 1032225337 /nfs/dbraw/zinc/22/53/37/1032225337.db2.gz LDGKUIULRQIWFG-NSHDSACASA-N 1 2 325.453 3.515 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528400065 1032228461 /nfs/dbraw/zinc/22/84/61/1032228461.db2.gz ZHKJHPGWJRVZBG-GFCCVEGCSA-N 1 2 338.238 3.665 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528401439 1032231040 /nfs/dbraw/zinc/23/10/40/1032231040.db2.gz BXSYMGYQHMLBTD-KRWDZBQOSA-N 1 2 347.821 3.502 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528401439 1032231060 /nfs/dbraw/zinc/23/10/60/1032231060.db2.gz BXSYMGYQHMLBTD-KRWDZBQOSA-N 1 2 347.821 3.502 20 0 EHADLO CCc1[nH]ccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000584366573 1032234962 /nfs/dbraw/zinc/23/49/62/1032234962.db2.gz WZZZQAKXBFRCJX-UHFFFAOYSA-N 1 2 332.473 3.518 20 0 EHADLO Cc1ccc(-c2nc(CCNc3[nH+]c(C)nc4[nH]ccc43)co2)cc1 ZINC000080985715 1032239311 /nfs/dbraw/zinc/23/93/11/1032239311.db2.gz YFJNVBQWUOKFRZ-UHFFFAOYSA-N 1 2 333.395 3.884 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000461072821 1032249496 /nfs/dbraw/zinc/24/94/96/1032249496.db2.gz FFYPRYMMWJYDBA-UHFFFAOYSA-N 1 2 339.439 3.659 20 0 EHADLO C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000461105710 1032254946 /nfs/dbraw/zinc/25/49/46/1032254946.db2.gz FQJBLXHQKVJISI-SFHVURJKSA-N 1 2 348.450 3.856 20 0 EHADLO C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000461110540 1032258706 /nfs/dbraw/zinc/25/87/06/1032258706.db2.gz FQJBLXHQKVJISI-GOSISDBHSA-N 1 2 348.450 3.856 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000538278619 1032266894 /nfs/dbraw/zinc/26/68/94/1032266894.db2.gz CJSSOZWEEOOJCY-ZDUSSCGKSA-N 1 2 334.822 3.755 20 0 EHADLO C[S@@](=O)c1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1 ZINC000459557619 1032276237 /nfs/dbraw/zinc/27/62/37/1032276237.db2.gz HNQXKCFGLQHYKH-JOCHJYFZSA-N 1 2 333.884 3.752 20 0 EHADLO C[C@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000528425011 1032278568 /nfs/dbraw/zinc/27/85/68/1032278568.db2.gz SRKWQGGFLDJDIC-CVEARBPZSA-N 1 2 342.439 3.805 20 0 EHADLO COc1coc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1=O ZINC000459584471 1032285163 /nfs/dbraw/zinc/28/51/63/1032285163.db2.gz UKBALRFCULADMQ-IBGZPJMESA-N 1 2 325.408 3.766 20 0 EHADLO COc1coc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1=O ZINC000459584471 1032285174 /nfs/dbraw/zinc/28/51/74/1032285174.db2.gz UKBALRFCULADMQ-IBGZPJMESA-N 1 2 325.408 3.766 20 0 EHADLO COCc1cc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)no1 ZINC000459587013 1032286880 /nfs/dbraw/zinc/28/68/80/1032286880.db2.gz JSQGLZNHZHNUHE-VIFPVBQESA-N 1 2 343.196 3.573 20 0 EHADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459571695 1032297656 /nfs/dbraw/zinc/29/76/56/1032297656.db2.gz SGXOBQIGDRGKJV-HWPZZCPQSA-N 1 2 334.213 3.767 20 0 EHADLO Cc1ccnc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000904943613 1032301436 /nfs/dbraw/zinc/30/14/36/1032301436.db2.gz QXOHOXBDHSMZGD-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO Cn1c(C[N@@H+]2Cc3sccc3CC2(C)C)nnc1-c1ccccc1 ZINC000459591480 1032311737 /nfs/dbraw/zinc/31/17/37/1032311737.db2.gz ZXQJCOVJUNSXQJ-UHFFFAOYSA-N 1 2 338.480 3.881 20 0 EHADLO Cn1c(C[N@H+]2Cc3sccc3CC2(C)C)nnc1-c1ccccc1 ZINC000459591480 1032311752 /nfs/dbraw/zinc/31/17/52/1032311752.db2.gz ZXQJCOVJUNSXQJ-UHFFFAOYSA-N 1 2 338.480 3.881 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459595282 1032316966 /nfs/dbraw/zinc/31/69/66/1032316966.db2.gz RSCGQXZLNGPMRE-QGZVFWFLSA-N 1 2 343.862 3.985 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459595282 1032316979 /nfs/dbraw/zinc/31/69/79/1032316979.db2.gz RSCGQXZLNGPMRE-QGZVFWFLSA-N 1 2 343.862 3.985 20 0 EHADLO Cc1ccc(CSCCCN2C(=O)c3ccccc3C2=O)c(C)[nH+]1 ZINC000184808829 1032321775 /nfs/dbraw/zinc/32/17/75/1032321775.db2.gz SPPYUQBVYZHENG-UHFFFAOYSA-N 1 2 340.448 3.618 20 0 EHADLO Cc1noc(C2C[NH+](CCCc3c(Cl)cccc3Cl)C2)n1 ZINC000459607093 1032326257 /nfs/dbraw/zinc/32/62/57/1032326257.db2.gz NPINDHWHINNEQO-UHFFFAOYSA-N 1 2 326.227 3.717 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899901 1032329026 /nfs/dbraw/zinc/32/90/26/1032329026.db2.gz BRIAATPHCHDRFS-KBPBESRZSA-N 1 2 329.444 3.686 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000536843353 1032336112 /nfs/dbraw/zinc/33/61/12/1032336112.db2.gz DYEYHGQZLQZOJL-CVEARBPZSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccco1 ZINC000528466970 1032336293 /nfs/dbraw/zinc/33/62/93/1032336293.db2.gz YTNLRHIBSVTNFI-MRXNPFEDSA-N 1 2 341.455 3.865 20 0 EHADLO O=C1CC[C@@H]2CN(Cc3ccc(-n4cc[nH+]c4)cc3)c3cccc1c32 ZINC000184799766 1032337697 /nfs/dbraw/zinc/33/76/97/1032337697.db2.gz YOUODVHTAZRJFI-MRXNPFEDSA-N 1 2 329.403 3.953 20 0 EHADLO COc1cc(CNc2ccc[nH+]c2N2CCOCC2)cc2ccccc21 ZINC000449226163 1032345027 /nfs/dbraw/zinc/34/50/27/1032345027.db2.gz WHBOBEQJUWBTFB-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000459630924 1032347643 /nfs/dbraw/zinc/34/76/43/1032347643.db2.gz BOGVAHFHFNAMMF-UHFFFAOYSA-N 1 2 327.375 3.979 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)sc1Cl ZINC000538409792 1032353520 /nfs/dbraw/zinc/35/35/20/1032353520.db2.gz WJTWQXNSDWDDJD-QMMMGPOBSA-N 1 2 331.272 3.762 20 0 EHADLO CCOc1c(OC)cc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1OC ZINC000459643049 1032363235 /nfs/dbraw/zinc/36/32/35/1032363235.db2.gz TXQSVNRCZJFUFF-UHFFFAOYSA-N 1 2 347.377 3.877 20 0 EHADLO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1noc(C(C)C)n1 ZINC000136243106 1032364643 /nfs/dbraw/zinc/36/46/43/1032364643.db2.gz DNYBRNULRIBFTR-INIZCTEOSA-N 1 2 338.839 3.579 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799654 1032366819 /nfs/dbraw/zinc/36/68/19/1032366819.db2.gz ZXYCTDIFZDSNHN-FUHWJXTLSA-N 1 2 345.512 3.593 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000449259135 1032367853 /nfs/dbraw/zinc/36/78/53/1032367853.db2.gz SEKAAXLZSGOTAW-HNNXBMFYSA-N 1 2 336.407 3.699 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000449259135 1032367861 /nfs/dbraw/zinc/36/78/61/1032367861.db2.gz SEKAAXLZSGOTAW-HNNXBMFYSA-N 1 2 336.407 3.699 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000459659135 1032387777 /nfs/dbraw/zinc/38/77/77/1032387777.db2.gz LUAFAGYSJQVDPA-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)oc1C ZINC000084135108 1032416283 /nfs/dbraw/zinc/41/62/83/1032416283.db2.gz SGSLTLZZPGXBGY-KRWDZBQOSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)oc1C ZINC000084135108 1032416289 /nfs/dbraw/zinc/41/62/89/1032416289.db2.gz SGSLTLZZPGXBGY-KRWDZBQOSA-N 1 2 326.396 3.620 20 0 EHADLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000459712355 1032441702 /nfs/dbraw/zinc/44/17/02/1032441702.db2.gz MPTCUABXYUKTMY-LBPRGKRZSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000459712355 1032441710 /nfs/dbraw/zinc/44/17/10/1032441710.db2.gz MPTCUABXYUKTMY-LBPRGKRZSA-N 1 2 345.270 3.823 20 0 EHADLO CC[N@H+](Cc1cnoc1C)Cc1cc(Br)ccc1F ZINC000128385684 1122581991 /nfs/dbraw/zinc/58/19/91/1122581991.db2.gz FMDALKUEEHNCQQ-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1cnoc1C)Cc1cc(Br)ccc1F ZINC000128385684 1122581996 /nfs/dbraw/zinc/58/19/96/1122581996.db2.gz FMDALKUEEHNCQQ-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1ccco1 ZINC000459793583 1032478796 /nfs/dbraw/zinc/47/87/96/1032478796.db2.gz LFOINXGOZZXWBP-VYDXJSESSA-N 1 2 344.480 3.507 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1ccco1 ZINC000459793583 1032478802 /nfs/dbraw/zinc/47/88/02/1032478802.db2.gz LFOINXGOZZXWBP-VYDXJSESSA-N 1 2 344.480 3.507 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1c(F)cccc1F ZINC000537026543 1032489776 /nfs/dbraw/zinc/48/97/76/1032489776.db2.gz KKVGWACRVMJFHE-QWHCGFSZSA-N 1 2 330.378 3.593 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Sc1ccccc1 ZINC000081109561 1032494549 /nfs/dbraw/zinc/49/45/49/1032494549.db2.gz NBKIGIFKNVAIIU-HNNXBMFYSA-N 1 2 337.448 3.783 20 0 EHADLO Nc1nc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH+]c2ccccc12 ZINC000089269109 1032522491 /nfs/dbraw/zinc/52/24/91/1032522491.db2.gz IRBVJVWCWADJFF-JKSUJKDBSA-N 1 2 340.814 3.808 20 0 EHADLO O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000089393072 1032527389 /nfs/dbraw/zinc/52/73/89/1032527389.db2.gz NINDSLNFENQMNA-HXUWFJFHSA-N 1 2 349.409 3.878 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2ccc(Cl)cc2F)C2CC2)c1 ZINC000449408154 1032531546 /nfs/dbraw/zinc/53/15/46/1032531546.db2.gz HRRYPCOFCCJKQC-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2ccc(Cl)cc2F)C2CC2)c1 ZINC000449408154 1032531550 /nfs/dbraw/zinc/53/15/50/1032531550.db2.gz HRRYPCOFCCJKQC-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2ccc(F)cc2Cl)C2CC2)c1 ZINC000449410611 1032533307 /nfs/dbraw/zinc/53/33/07/1032533307.db2.gz YERIRIBXSMHJQX-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2ccc(F)cc2Cl)C2CC2)c1 ZINC000449410611 1032533308 /nfs/dbraw/zinc/53/33/08/1032533308.db2.gz YERIRIBXSMHJQX-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000449424843 1032537377 /nfs/dbraw/zinc/53/73/77/1032537377.db2.gz PJENVTIEPUTVQS-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000449424843 1032537385 /nfs/dbraw/zinc/53/73/85/1032537385.db2.gz PJENVTIEPUTVQS-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000449428279 1032544553 /nfs/dbraw/zinc/54/45/53/1032544553.db2.gz TYYRIWJOKPWZHV-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000449428279 1032544555 /nfs/dbraw/zinc/54/45/55/1032544555.db2.gz TYYRIWJOKPWZHV-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cccc3c2COC3)cs1 ZINC001168109349 1032563775 /nfs/dbraw/zinc/56/37/75/1032563775.db2.gz ZWRLDIMOGIBECZ-UHFFFAOYSA-N 1 2 349.525 3.580 20 0 EHADLO C[N@H+](Cc1cscc1Br)[C@@H](CO)c1ccccc1 ZINC000449460835 1032578100 /nfs/dbraw/zinc/57/81/00/1032578100.db2.gz ZZHTWZSLXXJLKQ-AWEZNQCLSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@@H+](Cc1cscc1Br)[C@@H](CO)c1ccccc1 ZINC000449460835 1032578106 /nfs/dbraw/zinc/57/81/06/1032578106.db2.gz ZZHTWZSLXXJLKQ-AWEZNQCLSA-N 1 2 326.259 3.676 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)n1 ZINC000592817853 1032589928 /nfs/dbraw/zinc/58/99/28/1032589928.db2.gz COMHUYDGJGEWFN-AWEZNQCLSA-N 1 2 347.409 3.642 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000348543341 1032617036 /nfs/dbraw/zinc/61/70/36/1032617036.db2.gz GKCQVDOGIZOVBV-NHBFPYQTSA-N 1 2 345.455 3.636 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000348543341 1032617042 /nfs/dbraw/zinc/61/70/42/1032617042.db2.gz GKCQVDOGIZOVBV-NHBFPYQTSA-N 1 2 345.455 3.636 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@H](C)C2 ZINC000449482785 1032626416 /nfs/dbraw/zinc/62/64/16/1032626416.db2.gz DAMGAXHOXUNCRM-BZNIZROVSA-N 1 2 334.261 3.514 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)cc1 ZINC000606368648 1032655995 /nfs/dbraw/zinc/65/59/95/1032655995.db2.gz LWQWTXPKJINNKG-HNNXBMFYSA-N 1 2 347.509 3.955 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)cc1 ZINC000606368648 1032656005 /nfs/dbraw/zinc/65/60/05/1032656005.db2.gz LWQWTXPKJINNKG-HNNXBMFYSA-N 1 2 347.509 3.955 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C2(c3ccccc3C)CCC2)cs1 ZINC000593040172 1032674447 /nfs/dbraw/zinc/67/44/47/1032674447.db2.gz OZRWMHBINZOIOJ-UHFFFAOYSA-N 1 2 330.453 3.797 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449502833 1032682462 /nfs/dbraw/zinc/68/24/62/1032682462.db2.gz PCHPXCYJLKGBCV-ZANVPECISA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449502833 1032682470 /nfs/dbraw/zinc/68/24/70/1032682470.db2.gz PCHPXCYJLKGBCV-ZANVPECISA-N 1 2 334.204 3.584 20 0 EHADLO COc1c(Br)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140155159 1017166120 /nfs/dbraw/zinc/16/61/20/1017166120.db2.gz NJGHGJPZFKDTFP-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO COc1c(Br)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140155159 1017166127 /nfs/dbraw/zinc/16/61/27/1017166127.db2.gz NJGHGJPZFKDTFP-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCCCC1 ZINC000008000885 1017282908 /nfs/dbraw/zinc/28/29/08/1017282908.db2.gz GPMQUASBHANSGR-SFHVURJKSA-N 1 2 346.521 3.770 20 0 EHADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCCCC1 ZINC000008000885 1017282952 /nfs/dbraw/zinc/28/29/52/1017282952.db2.gz GPMQUASBHANSGR-SFHVURJKSA-N 1 2 346.521 3.770 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccc(C(F)F)c1F ZINC000625278502 1017286502 /nfs/dbraw/zinc/28/65/02/1017286502.db2.gz ZCPIKECGLWEGAX-UHFFFAOYSA-N 1 2 337.345 3.780 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(c2ccccc2)CCCC1 ZINC000613630934 1017291995 /nfs/dbraw/zinc/29/19/95/1017291995.db2.gz NEABGWOTXPRWLV-KBAYOESNSA-N 1 2 337.467 3.540 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450262 1032690911 /nfs/dbraw/zinc/69/09/11/1032690911.db2.gz TYIMNGGQNSASDX-SPYBWZPUSA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450262 1032690920 /nfs/dbraw/zinc/69/09/20/1032690920.db2.gz TYIMNGGQNSASDX-SPYBWZPUSA-N 1 2 332.463 3.782 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccc(F)cc1 ZINC000606449723 1032693407 /nfs/dbraw/zinc/69/34/07/1032693407.db2.gz CEFZNQJUMYVXTJ-KBPBESRZSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccc(F)cc1 ZINC000606449723 1032693414 /nfs/dbraw/zinc/69/34/14/1032693414.db2.gz CEFZNQJUMYVXTJ-KBPBESRZSA-N 1 2 344.405 3.761 20 0 EHADLO Cc1ccc(/C=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000491202575 1032699519 /nfs/dbraw/zinc/69/95/19/1032699519.db2.gz YCVUUPFASUDTHH-HJWRWDBZSA-N 1 2 337.379 3.515 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccc(OC(C)C)cc2C(F)(F)F)s1 ZINC000892812135 1017487841 /nfs/dbraw/zinc/48/78/41/1017487841.db2.gz VCRCGTZMQVTPIO-UHFFFAOYSA-N 1 2 345.390 3.942 20 0 EHADLO CC[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000377261098 1017545376 /nfs/dbraw/zinc/54/53/76/1017545376.db2.gz HHKZZLXMWBGWEP-SFHVURJKSA-N 1 2 340.471 3.821 20 0 EHADLO CC[C@@H](C)n1ncc(C(=O)OCc2cccc3[nH+]ccn32)c1C1CC1 ZINC000761007965 1032706827 /nfs/dbraw/zinc/70/68/27/1032706827.db2.gz KSFGGYUIUCVXRQ-CYBMUJFWSA-N 1 2 338.411 3.736 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cn2ccccc2n1 ZINC000655766508 1017564100 /nfs/dbraw/zinc/56/41/00/1017564100.db2.gz HOPCPJMGKCEZKS-HNNXBMFYSA-N 1 2 338.430 3.924 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000020544209 1017624114 /nfs/dbraw/zinc/62/41/14/1017624114.db2.gz JRFZOSJBEVJXEU-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCC2)cc1 ZINC000655795210 1017627448 /nfs/dbraw/zinc/62/74/48/1017627448.db2.gz ZTVQEQIPGLWHII-WMZOPIPTSA-N 1 2 326.444 3.596 20 0 EHADLO CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794784 1017628199 /nfs/dbraw/zinc/62/81/99/1017628199.db2.gz RKKYPCPEOLUZKD-HOTGVXAUSA-N 1 2 346.500 3.563 20 0 EHADLO c1[nH+]cn2c1CN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC000377332693 1017650888 /nfs/dbraw/zinc/65/08/88/1017650888.db2.gz XMRYFQYDIPSJCQ-UHFFFAOYSA-N 1 2 333.420 3.575 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000537414968 1032714378 /nfs/dbraw/zinc/71/43/78/1032714378.db2.gz ZHRMSDCKVKUBAM-QRVBRYPASA-N 1 2 347.499 3.733 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000340423584 1017729876 /nfs/dbraw/zinc/72/98/76/1017729876.db2.gz GCRBPFYCFBRPDI-GHMZBOCLSA-N 1 2 336.233 3.660 20 0 EHADLO Cc1ccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)c(N(C)C)[nH+]1 ZINC001266516039 1017735643 /nfs/dbraw/zinc/73/56/43/1017735643.db2.gz PKNIHJGDFKKJQN-UHFFFAOYSA-N 1 2 342.830 3.772 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000173991536 1017737546 /nfs/dbraw/zinc/73/75/46/1017737546.db2.gz HSESIDSUIWSFDY-JKSUJKDBSA-N 1 2 349.434 3.697 20 0 EHADLO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)s1 ZINC000340427292 1017753017 /nfs/dbraw/zinc/75/30/17/1017753017.db2.gz SYXGQGRVZNTOPZ-IONNQARKSA-N 1 2 341.278 3.724 20 0 EHADLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000340430202 1017758483 /nfs/dbraw/zinc/75/84/83/1017758483.db2.gz DCBQBGQVLUCBTO-GHMZBOCLSA-N 1 2 336.233 3.660 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)CC2 ZINC000340431272 1017774200 /nfs/dbraw/zinc/77/42/00/1017774200.db2.gz HQVPLHIVXMVVOK-ZUZCIYMTSA-N 1 2 348.244 3.586 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C)cc2)s1 ZINC000122111799 1017844614 /nfs/dbraw/zinc/84/46/14/1017844614.db2.gz SMLHHWCNAQMNAP-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C)cc2)s1 ZINC000122111799 1017844626 /nfs/dbraw/zinc/84/46/26/1017844626.db2.gz SMLHHWCNAQMNAP-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(SC)c(OC)c1)CCO2 ZINC000449526301 1032725395 /nfs/dbraw/zinc/72/53/95/1032725395.db2.gz VPESDBVBMJRHDS-UHFFFAOYSA-N 1 2 345.464 3.820 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(SC)c(OC)c1)CCO2 ZINC000449526301 1032725413 /nfs/dbraw/zinc/72/54/13/1032725413.db2.gz VPESDBVBMJRHDS-UHFFFAOYSA-N 1 2 345.464 3.820 20 0 EHADLO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000377508012 1017916656 /nfs/dbraw/zinc/91/66/56/1017916656.db2.gz JLWXWJQDYNICRD-WOJBJXKFSA-N 1 2 347.418 3.522 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000341029107 1017929624 /nfs/dbraw/zinc/92/96/24/1017929624.db2.gz VANUISHNMQRKAB-SJORKVTESA-N 1 2 330.472 3.674 20 0 EHADLO Cc1ccccc1CC1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000085479417 1017929759 /nfs/dbraw/zinc/92/97/59/1017929759.db2.gz YHNSYGITQKVYIO-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)sc1C ZINC000528762658 1032737448 /nfs/dbraw/zinc/73/74/48/1032737448.db2.gz SLIINRQJNWLWCE-UHFFFAOYSA-N 1 2 326.469 3.563 20 0 EHADLO COCCOc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)o1 ZINC000892978972 1018035753 /nfs/dbraw/zinc/03/57/53/1018035753.db2.gz DRXNRGXODFTWOE-LBPRGKRZSA-N 1 2 332.425 3.765 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000659849967 1018069131 /nfs/dbraw/zinc/06/91/31/1018069131.db2.gz VOAXJBAXZCVYPZ-LJQANCHMSA-N 1 2 339.826 3.857 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000659849967 1018069150 /nfs/dbraw/zinc/06/91/50/1018069150.db2.gz VOAXJBAXZCVYPZ-LJQANCHMSA-N 1 2 339.826 3.857 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000060297195 1018077911 /nfs/dbraw/zinc/07/79/11/1018077911.db2.gz PRMRTPUYHLZDFD-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(OC(F)F)c1 ZINC000078970268 1018083390 /nfs/dbraw/zinc/08/33/90/1018083390.db2.gz KAOCZYZNGCUZSB-ZDUSSCGKSA-N 1 2 344.365 3.720 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1c(F)cccc1F ZINC000602272287 1032742844 /nfs/dbraw/zinc/74/28/44/1032742844.db2.gz PQVSBJFRRDFPLM-XHDPSFHLSA-N 1 2 334.341 3.560 20 0 EHADLO O=C(COc1ccc(F)cc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514756 1018207434 /nfs/dbraw/zinc/20/74/34/1018207434.db2.gz GHYGWKGIYCLJNH-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569889 1018234383 /nfs/dbraw/zinc/23/43/83/1018234383.db2.gz VLLCEPNGABGYRG-ZACQAIPSSA-N 1 2 347.503 3.948 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569889 1018234395 /nfs/dbraw/zinc/23/43/95/1018234395.db2.gz VLLCEPNGABGYRG-ZACQAIPSSA-N 1 2 347.503 3.948 20 0 EHADLO Cc1cn2cc(NC(=O)NCC(C)(C)c3cccc(F)c3)ccc2[nH+]1 ZINC000606570344 1032753931 /nfs/dbraw/zinc/75/39/31/1032753931.db2.gz MSSWCNUHONRWRU-UHFFFAOYSA-N 1 2 340.402 3.881 20 0 EHADLO COc1cc(C)c(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OC ZINC000606570712 1032755012 /nfs/dbraw/zinc/75/50/12/1032755012.db2.gz PBIUXRYLYWZUDY-UHFFFAOYSA-N 1 2 340.383 3.612 20 0 EHADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377759358 1018324123 /nfs/dbraw/zinc/32/41/23/1018324123.db2.gz GFOQRMIGYIGCSL-SECBINFHSA-N 1 2 341.745 3.723 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)n2)cc1 ZINC000377758824 1018325180 /nfs/dbraw/zinc/32/51/80/1018325180.db2.gz FJAKZNSSIUZWRV-CYBMUJFWSA-N 1 2 338.436 3.900 20 0 EHADLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000043188029 1018411882 /nfs/dbraw/zinc/41/18/82/1018411882.db2.gz KJCJIGPQOFBZPS-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580833 1032765474 /nfs/dbraw/zinc/76/54/74/1032765474.db2.gz GLIIHRGNFGLVMC-UKRRQHHQSA-N 1 2 338.386 3.883 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000606583676 1032766062 /nfs/dbraw/zinc/76/60/62/1032766062.db2.gz JYIJEHCYXZCWBP-WMZOPIPTSA-N 1 2 334.423 3.867 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000606581835 1032768027 /nfs/dbraw/zinc/76/80/27/1032768027.db2.gz RWLJOXNNWLCZHM-UHFFFAOYSA-N 1 2 326.787 3.799 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(Cl)cc1 ZINC000683777085 1018505650 /nfs/dbraw/zinc/50/56/50/1018505650.db2.gz MVDLSSXZHAGOJB-MRXNPFEDSA-N 1 2 333.794 3.604 20 0 EHADLO COC[C@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816594 1018680444 /nfs/dbraw/zinc/68/04/44/1018680444.db2.gz UDENEPYWQWETSI-MOPGFXCFSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816594 1018680450 /nfs/dbraw/zinc/68/04/50/1018680450.db2.gz UDENEPYWQWETSI-MOPGFXCFSA-N 1 2 330.859 3.804 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)s1 ZINC000052071012 1018720059 /nfs/dbraw/zinc/72/00/59/1018720059.db2.gz YQMMXNJPMJQPNT-GFCCVEGCSA-N 1 2 334.510 3.608 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2C)s1 ZINC000052071012 1018720066 /nfs/dbraw/zinc/72/00/66/1018720066.db2.gz YQMMXNJPMJQPNT-GFCCVEGCSA-N 1 2 334.510 3.608 20 0 EHADLO Cc1ccccc1/C=C\C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000255150500 1018731351 /nfs/dbraw/zinc/73/13/51/1018731351.db2.gz RPHRSWBZUKOUHM-KHPPLWFESA-N 1 2 331.419 3.569 20 0 EHADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(F)cc1Br ZINC000580197882 1018772731 /nfs/dbraw/zinc/77/27/31/1018772731.db2.gz JRZIBADBSCPTGF-JTQLQIEISA-N 1 2 340.196 3.683 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000052410050 1018797004 /nfs/dbraw/zinc/79/70/04/1018797004.db2.gz ADYYJUJBSRXARY-INIZCTEOSA-N 1 2 328.481 3.586 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000052162653 1018854143 /nfs/dbraw/zinc/85/41/43/1018854143.db2.gz AYTRNTBEXUJHSG-CYBMUJFWSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000052162653 1018854167 /nfs/dbraw/zinc/85/41/67/1018854167.db2.gz AYTRNTBEXUJHSG-CYBMUJFWSA-N 1 2 348.899 3.979 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000047759631 1018868313 /nfs/dbraw/zinc/86/83/13/1018868313.db2.gz WVFVQOSNXDZIFQ-UHFFFAOYSA-N 1 2 336.823 3.537 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419361025 1018882139 /nfs/dbraw/zinc/88/21/39/1018882139.db2.gz AMVBEFBWGKEMQR-OAHLLOKOSA-N 1 2 338.904 3.804 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419361025 1018882155 /nfs/dbraw/zinc/88/21/55/1018882155.db2.gz AMVBEFBWGKEMQR-OAHLLOKOSA-N 1 2 338.904 3.804 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1Oc1cccc(F)c1 ZINC000576372548 1018885116 /nfs/dbraw/zinc/88/51/16/1018885116.db2.gz KEXXBFDARZNBRX-UHFFFAOYSA-N 1 2 339.370 3.590 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C(C)C)c1 ZINC000528772804 1032794352 /nfs/dbraw/zinc/79/43/52/1032794352.db2.gz ZOHHMSXERRAMBU-OAHLLOKOSA-N 1 2 327.350 3.970 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000419368287 1018931069 /nfs/dbraw/zinc/93/10/69/1018931069.db2.gz WMGAOYXODIZRFJ-SWLSCSKDSA-N 1 2 326.531 3.958 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000419368287 1018931084 /nfs/dbraw/zinc/93/10/84/1018931084.db2.gz WMGAOYXODIZRFJ-SWLSCSKDSA-N 1 2 326.531 3.958 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000340644177 1019060879 /nfs/dbraw/zinc/06/08/79/1019060879.db2.gz DAWSAIGKKYGXPP-UHFFFAOYSA-N 1 2 347.422 3.686 20 0 EHADLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000924892864 1019079448 /nfs/dbraw/zinc/07/94/48/1019079448.db2.gz JJVXGQFIRHHMKI-SECBINFHSA-N 1 2 346.784 3.955 20 0 EHADLO Cc1nc(C)c(C[N@@H+](C)Cc2cc(Br)ccc2F)o1 ZINC000683897884 1019149108 /nfs/dbraw/zinc/14/91/08/1019149108.db2.gz IHGSSQQMUSOJAW-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO Cc1nc(C)c(C[N@H+](C)Cc2cc(Br)ccc2F)o1 ZINC000683897884 1019149116 /nfs/dbraw/zinc/14/91/16/1019149116.db2.gz IHGSSQQMUSOJAW-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729048133 1019166328 /nfs/dbraw/zinc/16/63/28/1019166328.db2.gz AFKPYZYIVNNUIL-UHFFFAOYSA-N 1 2 338.411 3.586 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000580372609 1019212034 /nfs/dbraw/zinc/21/20/34/1019212034.db2.gz WHSACLYACHOXAL-JKSUJKDBSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000580372609 1019212050 /nfs/dbraw/zinc/21/20/50/1019212050.db2.gz WHSACLYACHOXAL-JKSUJKDBSA-N 1 2 341.398 3.686 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(OC(C)C)cc2)c1C ZINC000051615052 1019261432 /nfs/dbraw/zinc/26/14/32/1019261432.db2.gz SVQKCMOTPIHSHG-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO Fc1cc2[nH+]ccc(NCc3nc([C@@H]4CCCO4)n[nH]3)c2cc1Cl ZINC000656208674 1019274246 /nfs/dbraw/zinc/27/42/46/1019274246.db2.gz XBHMKZLTILKOEH-AWEZNQCLSA-N 1 2 347.781 3.609 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCCCc1ccccc1 ZINC000052073814 1019305084 /nfs/dbraw/zinc/30/50/84/1019305084.db2.gz SFAKBRYXWRCMQB-INIZCTEOSA-N 1 2 328.431 3.568 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCCCc1ccccc1 ZINC000052073814 1019305097 /nfs/dbraw/zinc/30/50/97/1019305097.db2.gz SFAKBRYXWRCMQB-INIZCTEOSA-N 1 2 328.431 3.568 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2ccncc2)no1 ZINC000580412478 1019321547 /nfs/dbraw/zinc/32/15/47/1019321547.db2.gz YBIUGRIPMUMPRW-SFHVURJKSA-N 1 2 349.438 3.502 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)n1C(C)C ZINC000052410437 1019328146 /nfs/dbraw/zinc/32/81/46/1019328146.db2.gz KDKYNRNKCAWIPI-UHFFFAOYSA-N 1 2 345.512 3.705 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1F)[C@H]2C ZINC000580416335 1019334967 /nfs/dbraw/zinc/33/49/67/1019334967.db2.gz DELHUSPSHRNGAZ-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccccc1F)[C@H]2C ZINC000580416335 1019334979 /nfs/dbraw/zinc/33/49/79/1019334979.db2.gz DELHUSPSHRNGAZ-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894211616 1019340127 /nfs/dbraw/zinc/34/01/27/1019340127.db2.gz QRNZTDUHUIUSFV-CYBMUJFWSA-N 1 2 334.441 3.569 20 0 EHADLO CSc1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001211064865 1019349593 /nfs/dbraw/zinc/34/95/93/1019349593.db2.gz OJJFIUQBTLENOJ-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000476083894 1032822532 /nfs/dbraw/zinc/82/25/32/1032822532.db2.gz JUQLZQHFGJFHCF-RTBURBONSA-N 1 2 344.499 3.982 20 0 EHADLO COc1cc2c(c(C[NH2+]C3(c4nc(C)cs4)CCC3)c1)O[C@H](C)C2 ZINC000340691143 1019383919 /nfs/dbraw/zinc/38/39/19/1019383919.db2.gz PUVTYMFFYBKIQC-CYBMUJFWSA-N 1 2 344.480 3.953 20 0 EHADLO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c(C)c1C ZINC000606752433 1032828064 /nfs/dbraw/zinc/82/80/64/1032828064.db2.gz NPDUBINNPQYZOC-UHFFFAOYSA-N 1 2 343.452 3.677 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(F)(c2ccccc2)CC1 ZINC000683944117 1019414035 /nfs/dbraw/zinc/41/40/35/1019414035.db2.gz XBYNYKYUZQMRCR-UHFFFAOYSA-N 1 2 338.386 3.827 20 0 EHADLO C[C@H](SCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000340697826 1019430760 /nfs/dbraw/zinc/43/07/60/1019430760.db2.gz SMHYWJUBSVTCHU-NSHDSACASA-N 1 2 347.311 3.562 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccncc1 ZINC000129865781 1019454499 /nfs/dbraw/zinc/45/44/99/1019454499.db2.gz ZPMCGCCEHUZYSG-AWEZNQCLSA-N 1 2 344.484 3.656 20 0 EHADLO C[C@H](C[NH+]1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000580484956 1019463134 /nfs/dbraw/zinc/46/31/34/1019463134.db2.gz HMOVMWKTRAQSCF-CQSZACIVSA-N 1 2 348.899 3.963 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000528792932 1032832723 /nfs/dbraw/zinc/83/27/23/1032832723.db2.gz IHDNWWCNCWUVEW-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000528792932 1032832734 /nfs/dbraw/zinc/83/27/34/1032832734.db2.gz IHDNWWCNCWUVEW-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2cccc(Cl)c2)c1C ZINC000050254170 1019473639 /nfs/dbraw/zinc/47/36/39/1019473639.db2.gz KDEJJYVRGSJYBZ-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000606802611 1032839184 /nfs/dbraw/zinc/83/91/84/1032839184.db2.gz NDUPMVHMVUVXCA-QGZVFWFLSA-N 1 2 329.444 3.963 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000476093077 1032839876 /nfs/dbraw/zinc/83/98/76/1032839876.db2.gz XESKIGKSLAQOTE-QWHCGFSZSA-N 1 2 335.398 3.708 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@@H+]([C@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366960 1019575934 /nfs/dbraw/zinc/57/59/34/1019575934.db2.gz NFKFVLJGJKYFLD-UXHICEINSA-N 1 2 338.451 3.738 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@H+]([C@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366960 1019575942 /nfs/dbraw/zinc/57/59/42/1019575942.db2.gz NFKFVLJGJKYFLD-UXHICEINSA-N 1 2 338.451 3.738 20 0 EHADLO COCc1cc[nH+]c(NCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000593222991 1032840582 /nfs/dbraw/zinc/84/05/82/1032840582.db2.gz NCNYTQUWZLGGGJ-UHFFFAOYSA-N 1 2 328.412 3.795 20 0 EHADLO COCc1cc[nH+]c(NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000593223426 1032841168 /nfs/dbraw/zinc/84/11/68/1032841168.db2.gz SMJZFBGRMDQQKH-UHFFFAOYSA-N 1 2 328.412 3.795 20 0 EHADLO CCOc1cc(CCCNc2[nH+]c(C)nc3[nH]ccc32)ccc1OC ZINC000433797223 1019630468 /nfs/dbraw/zinc/63/04/68/1019630468.db2.gz UNSCQTHFNXZXGG-UHFFFAOYSA-N 1 2 340.427 3.670 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000340728728 1019658442 /nfs/dbraw/zinc/65/84/42/1019658442.db2.gz NAYWBAOYFHZNPM-UKRRQHHQSA-N 1 2 336.505 3.781 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000340728728 1019658452 /nfs/dbraw/zinc/65/84/52/1019658452.db2.gz NAYWBAOYFHZNPM-UKRRQHHQSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656252257 1019660293 /nfs/dbraw/zinc/66/02/93/1019660293.db2.gz UXMNRGNLYHRKFP-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656252257 1019660298 /nfs/dbraw/zinc/66/02/98/1019660298.db2.gz UXMNRGNLYHRKFP-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Oc1ccc(F)c(C[NH+]2CCC(N3CCc4ccccc43)CC2)c1F ZINC000513513610 1019776761 /nfs/dbraw/zinc/77/67/61/1019776761.db2.gz GIKURKZLDOVQQN-UHFFFAOYSA-N 1 2 344.405 3.698 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc3ccc(Cl)cn23)c(F)c1F ZINC000430028682 1019790262 /nfs/dbraw/zinc/79/02/62/1019790262.db2.gz VXDJRYVGDFKQCK-UHFFFAOYSA-N 1 2 343.711 3.834 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433997658 1019864049 /nfs/dbraw/zinc/86/40/49/1019864049.db2.gz APXUJXZVEJNMPA-SFNKJDCFSA-N 1 2 343.471 3.603 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000513651902 1019908521 /nfs/dbraw/zinc/90/85/21/1019908521.db2.gz GDKLIAXTIIHICB-KRWDZBQOSA-N 1 2 338.455 3.965 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000513651902 1019908532 /nfs/dbraw/zinc/90/85/32/1019908532.db2.gz GDKLIAXTIIHICB-KRWDZBQOSA-N 1 2 338.455 3.965 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000434082100 1019932350 /nfs/dbraw/zinc/93/23/50/1019932350.db2.gz VLUALCIEIFGZJU-GOSISDBHSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000434082100 1019932355 /nfs/dbraw/zinc/93/23/55/1019932355.db2.gz VLUALCIEIFGZJU-GOSISDBHSA-N 1 2 340.471 3.563 20 0 EHADLO CCO[C@H](c1noc(Cc2cn3cccc(C)c3[nH+]2)n1)c1ccccc1 ZINC000580753591 1019982925 /nfs/dbraw/zinc/98/29/25/1019982925.db2.gz AIJDWTYFXMLLTN-SFHVURJKSA-N 1 2 348.406 3.742 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2c(O)cccc21 ZINC000345131015 1019984791 /nfs/dbraw/zinc/98/47/91/1019984791.db2.gz KYMJFZDUODWWMV-HNNXBMFYSA-N 1 2 347.418 3.791 20 0 EHADLO CCCCn1c(SCc2conc2C)nnc1[C@@H](CC)[NH+](C)C ZINC000580785122 1020015882 /nfs/dbraw/zinc/01/58/82/1020015882.db2.gz OUBGSLFWKHEKAB-CQSZACIVSA-N 1 2 337.493 3.680 20 0 EHADLO O=C(c1cccc2[nH]ccc21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684071996 1020052743 /nfs/dbraw/zinc/05/27/43/1020052743.db2.gz FOHICODRJUAKKF-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000574272665 1032873307 /nfs/dbraw/zinc/87/33/07/1032873307.db2.gz NPTSQWCAHVZIRV-UXLLHSPISA-N 1 2 334.464 3.687 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000574272665 1032873323 /nfs/dbraw/zinc/87/33/23/1032873323.db2.gz NPTSQWCAHVZIRV-UXLLHSPISA-N 1 2 334.464 3.687 20 0 EHADLO Cc1ccc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c(C)c1 ZINC000434091195 1020086586 /nfs/dbraw/zinc/08/65/86/1020086586.db2.gz JZGFBOJJOFMAIT-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1ccc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c(C)c1 ZINC000434091195 1020086602 /nfs/dbraw/zinc/08/66/02/1020086602.db2.gz JZGFBOJJOFMAIT-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111039 1032878745 /nfs/dbraw/zinc/87/87/45/1032878745.db2.gz COGVFVAHXUXXJN-WCQYABFASA-N 1 2 346.254 3.788 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111039 1032878758 /nfs/dbraw/zinc/87/87/58/1032878758.db2.gz COGVFVAHXUXXJN-WCQYABFASA-N 1 2 346.254 3.788 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncccc2F)c(Cl)c1 ZINC000528832318 1032881099 /nfs/dbraw/zinc/88/10/99/1032881099.db2.gz VJJREDFIURMTRM-RYUDHWBXSA-N 1 2 335.810 3.860 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000160677696 1020181923 /nfs/dbraw/zinc/18/19/23/1020181923.db2.gz LRBBJDWGEGHVGI-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000160677696 1020181928 /nfs/dbraw/zinc/18/19/28/1020181928.db2.gz LRBBJDWGEGHVGI-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(C)n2-c2ccccc2)c1C ZINC000345405726 1020223547 /nfs/dbraw/zinc/22/35/47/1020223547.db2.gz MXVQBFCPKYCGNJ-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000656323652 1020224940 /nfs/dbraw/zinc/22/49/40/1020224940.db2.gz PZBSPSVVWIINTA-HXUWFJFHSA-N 1 2 348.450 3.663 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093221893 1032885884 /nfs/dbraw/zinc/88/58/84/1032885884.db2.gz GOXSOOPUXGPABD-JOCHJYFZSA-N 1 2 349.478 3.622 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093221893 1032885903 /nfs/dbraw/zinc/88/59/03/1032885903.db2.gz GOXSOOPUXGPABD-JOCHJYFZSA-N 1 2 349.478 3.622 20 0 EHADLO CC(C)CCSCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345439535 1020252015 /nfs/dbraw/zinc/25/20/15/1020252015.db2.gz BGGUWMTZSCBKFV-UHFFFAOYSA-N 1 2 349.544 3.705 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000280283419 1020252645 /nfs/dbraw/zinc/25/26/45/1020252645.db2.gz OFDAXWCEWKNXAC-LBPRGKRZSA-N 1 2 343.377 3.843 20 0 EHADLO C[C@H]1CC[C@H](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345439602 1020253953 /nfs/dbraw/zinc/25/39/53/1020253953.db2.gz BJISHMLTTMHSEN-HOTGVXAUSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NCc3c[nH+]cn3C)CCCC2)cc1 ZINC000292043866 1020269382 /nfs/dbraw/zinc/26/93/82/1020269382.db2.gz RBCBIIYYWGVYTJ-UHFFFAOYSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000340849577 1020420066 /nfs/dbraw/zinc/42/00/66/1020420066.db2.gz OJKCTBWAGJPDIH-CYBMUJFWSA-N 1 2 335.904 3.984 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000345650685 1020425572 /nfs/dbraw/zinc/42/55/72/1020425572.db2.gz IUIKGSFDSPMLFJ-UHFFFAOYSA-N 1 2 328.796 3.560 20 0 EHADLO CCCc1cnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000345683886 1020452087 /nfs/dbraw/zinc/45/20/87/1020452087.db2.gz UJLBUMRYMKZYBA-UHFFFAOYSA-N 1 2 326.425 3.593 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000156005467 1020454391 /nfs/dbraw/zinc/45/43/91/1020454391.db2.gz JLKQRFACZGUNEN-KDOFPFPSSA-N 1 2 346.496 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000156005467 1020454397 /nfs/dbraw/zinc/45/43/97/1020454397.db2.gz JLKQRFACZGUNEN-KDOFPFPSSA-N 1 2 346.496 3.624 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000780369367 1020513382 /nfs/dbraw/zinc/51/33/82/1020513382.db2.gz HGPXKUIOHPMDOT-SWLSCSKDSA-N 1 2 347.377 3.666 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C[C@H]1n1cc[nH+]c1 ZINC000345941897 1020609162 /nfs/dbraw/zinc/60/91/62/1020609162.db2.gz GZSDCPLGUYTOAY-MGPUTAFESA-N 1 2 345.446 3.858 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C[C@@H]1n1cc[nH+]c1 ZINC000345941899 1020609438 /nfs/dbraw/zinc/60/94/38/1020609438.db2.gz GZSDCPLGUYTOAY-YWZLYKJASA-N 1 2 345.446 3.858 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345957586 1020629953 /nfs/dbraw/zinc/62/99/53/1020629953.db2.gz BWVRJSSTKHUHER-QTMHVTGLSA-N 1 2 347.503 3.667 20 0 EHADLO CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510377834 1020633692 /nfs/dbraw/zinc/63/36/92/1020633692.db2.gz MIKYQESLJPKDLF-ZWKOTPCHSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc(CC(C)(C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000419511585 1020693056 /nfs/dbraw/zinc/69/30/56/1020693056.db2.gz YDSZTOGGARDDPR-UHFFFAOYSA-N 1 2 325.456 3.827 20 0 EHADLO CSC1(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000581336797 1020705744 /nfs/dbraw/zinc/70/57/44/1020705744.db2.gz FZARWYXELDIKCX-CQSZACIVSA-N 1 2 331.403 3.974 20 0 EHADLO CSC1(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000581336797 1020705753 /nfs/dbraw/zinc/70/57/53/1020705753.db2.gz FZARWYXELDIKCX-CQSZACIVSA-N 1 2 331.403 3.974 20 0 EHADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000581372855 1020755163 /nfs/dbraw/zinc/75/51/63/1020755163.db2.gz BAJRUUMKSHXONL-GFCCVEGCSA-N 1 2 325.334 3.906 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)c3cc(C)n(C)c3C)c2c1 ZINC000656504982 1020762286 /nfs/dbraw/zinc/76/22/86/1020762286.db2.gz RBHMCAFONOHVBC-UHFFFAOYSA-N 1 2 338.407 3.769 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2[nH+]1 ZINC000114228500 1032940380 /nfs/dbraw/zinc/94/03/80/1032940380.db2.gz DCCJBBHHIJXHFJ-UHFFFAOYSA-N 1 2 335.816 3.634 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138332 1021001776 /nfs/dbraw/zinc/00/17/76/1021001776.db2.gz OJGGPNYUBKYYGQ-RNCFNFMXSA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138332 1021001780 /nfs/dbraw/zinc/00/17/80/1021001780.db2.gz OJGGPNYUBKYYGQ-RNCFNFMXSA-N 1 2 333.295 3.541 20 0 EHADLO C[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000341110736 1020986434 /nfs/dbraw/zinc/98/64/34/1020986434.db2.gz ONOLVLCQTBSYGP-JKSUJKDBSA-N 1 2 325.412 3.503 20 0 EHADLO COc1c(O)cccc1C[NH2+]Cc1cccc(C)c1Br ZINC000276276070 1020988171 /nfs/dbraw/zinc/98/81/71/1020988171.db2.gz YOIGFXDBSQYQBC-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000073711996 1021071109 /nfs/dbraw/zinc/07/11/09/1021071109.db2.gz DGBBTKIQJOWZPP-FQEVSTJZSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]Cc2cccc(-n3cccn3)c2)no1 ZINC000548190253 1021110764 /nfs/dbraw/zinc/11/07/64/1021110764.db2.gz CSWVYRJEHUQHSC-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](COC)c2ccc(OCC)cc2)n1 ZINC000341234475 1021144778 /nfs/dbraw/zinc/14/47/78/1021144778.db2.gz AVQNWZIJLIGTFK-KRWDZBQOSA-N 1 2 334.485 3.972 20 0 EHADLO Cc1sc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(C)c1C ZINC000075642880 1021175357 /nfs/dbraw/zinc/17/53/57/1021175357.db2.gz IUXPEEOUDYJCOY-UHFFFAOYSA-N 1 2 331.485 3.917 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(C)c1C ZINC000075642880 1021175360 /nfs/dbraw/zinc/17/53/60/1021175360.db2.gz IUXPEEOUDYJCOY-UHFFFAOYSA-N 1 2 331.485 3.917 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)[nH+]1 ZINC000516249789 1021229963 /nfs/dbraw/zinc/22/99/63/1021229963.db2.gz QEUTYBSFFYGSHZ-BRWVUGGUSA-N 1 2 331.460 3.554 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000426314253 1021245875 /nfs/dbraw/zinc/24/58/75/1021245875.db2.gz ZCHIIRQUNDSLQY-DAXSKMNVSA-N 1 2 335.382 3.731 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1CCn2c[nH+]cc2C1 ZINC000366652371 1021253657 /nfs/dbraw/zinc/25/36/57/1021253657.db2.gz KPLOXFUAFWPNQF-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO CCCCC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000076546467 1021268959 /nfs/dbraw/zinc/26/89/59/1021268959.db2.gz SFXMXIUWKZHJLO-FUHWJXTLSA-N 1 2 328.460 3.892 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000516310582 1021289881 /nfs/dbraw/zinc/28/98/81/1021289881.db2.gz KUJQWYRBGHUWBX-SNVBAGLBSA-N 1 2 326.227 3.554 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000516310582 1021289889 /nfs/dbraw/zinc/28/98/89/1021289889.db2.gz KUJQWYRBGHUWBX-SNVBAGLBSA-N 1 2 326.227 3.554 20 0 EHADLO CCCOc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(C)c1 ZINC000656768818 1021309450 /nfs/dbraw/zinc/30/94/50/1021309450.db2.gz OCLKYWGPHHJSGW-UHFFFAOYSA-N 1 2 341.455 3.628 20 0 EHADLO c1ccc(CO[C@H]2CCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342667656 1021348958 /nfs/dbraw/zinc/34/89/58/1021348958.db2.gz BMJPBYCFQMUMFY-ROUUACIJSA-N 1 2 338.455 3.627 20 0 EHADLO c1ccc(CO[C@H]2CCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342667656 1021348980 /nfs/dbraw/zinc/34/89/80/1021348980.db2.gz BMJPBYCFQMUMFY-ROUUACIJSA-N 1 2 338.455 3.627 20 0 EHADLO CCCc1csc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)n1 ZINC000426352559 1021355083 /nfs/dbraw/zinc/35/50/83/1021355083.db2.gz MMAISGGPMOTCIE-UHFFFAOYSA-N 1 2 332.469 3.974 20 0 EHADLO CCCc1csc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)n1 ZINC000426352559 1021355099 /nfs/dbraw/zinc/35/50/99/1021355099.db2.gz MMAISGGPMOTCIE-UHFFFAOYSA-N 1 2 332.469 3.974 20 0 EHADLO Cc1cc(NC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c(C)c[nH+]1 ZINC000516429329 1021410978 /nfs/dbraw/zinc/41/09/78/1021410978.db2.gz UMAAFCVBJKRDEF-SFHVURJKSA-N 1 2 335.451 3.922 20 0 EHADLO CC(C)Cn1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1F ZINC000439515582 1021501900 /nfs/dbraw/zinc/50/19/00/1021501900.db2.gz DRWDZTUJULPRTO-UHFFFAOYSA-N 1 2 345.447 3.766 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC001143579804 1021528489 /nfs/dbraw/zinc/52/84/89/1021528489.db2.gz QNIROBGDYUJGLU-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC001143579804 1021528500 /nfs/dbraw/zinc/52/85/00/1021528500.db2.gz QNIROBGDYUJGLU-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894383993 1021530061 /nfs/dbraw/zinc/53/00/61/1021530061.db2.gz BXBCIPCLNMNUDI-YOEHRIQHSA-N 1 2 349.356 3.677 20 0 EHADLO CO[C@@H]1CCC[C@H]([NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000684391731 1021549351 /nfs/dbraw/zinc/54/93/51/1021549351.db2.gz HUECNGFQZZJLOH-XHSDSOJGSA-N 1 2 335.835 3.668 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000509608053 1021551720 /nfs/dbraw/zinc/55/17/20/1021551720.db2.gz JRMYXPLEALQLDK-NXHRZFHOSA-N 1 2 333.439 3.526 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000518790154 1021565029 /nfs/dbraw/zinc/56/50/29/1021565029.db2.gz YZPCHBMYJSCSDM-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000518790154 1021565034 /nfs/dbraw/zinc/56/50/34/1021565034.db2.gz YZPCHBMYJSCSDM-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437141812 1021595591 /nfs/dbraw/zinc/59/55/91/1021595591.db2.gz GWLBFJCIZLNSHQ-LJQANCHMSA-N 1 2 325.456 3.706 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437141812 1021595600 /nfs/dbraw/zinc/59/56/00/1021595600.db2.gz GWLBFJCIZLNSHQ-LJQANCHMSA-N 1 2 325.456 3.706 20 0 EHADLO CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000437208063 1021644618 /nfs/dbraw/zinc/64/46/18/1021644618.db2.gz KESOXLDOXVNGKH-VQTJNVASSA-N 1 2 347.418 3.557 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000138853444 1032997782 /nfs/dbraw/zinc/99/77/82/1032997782.db2.gz SHLUUSBUWUPEJL-UHFFFAOYSA-N 1 2 332.451 3.707 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000439785312 1021710705 /nfs/dbraw/zinc/71/07/05/1021710705.db2.gz YGDKXDYMAHGZEJ-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000138853444 1032997801 /nfs/dbraw/zinc/99/78/01/1032997801.db2.gz SHLUUSBUWUPEJL-UHFFFAOYSA-N 1 2 332.451 3.707 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C2CCC2)c1 ZINC000891477395 1021719294 /nfs/dbraw/zinc/71/92/94/1021719294.db2.gz KPENGBLNLAULRF-UHFFFAOYSA-N 1 2 340.471 3.767 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C2CCC2)c1 ZINC000891477395 1021719307 /nfs/dbraw/zinc/71/93/07/1021719307.db2.gz KPENGBLNLAULRF-UHFFFAOYSA-N 1 2 340.471 3.767 20 0 EHADLO Cc1cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cnc1F ZINC000891487581 1021743013 /nfs/dbraw/zinc/74/30/13/1021743013.db2.gz WOCJVGSOWPQGAT-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO Cc1cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cnc1F ZINC000891487581 1021743029 /nfs/dbraw/zinc/74/30/29/1021743029.db2.gz WOCJVGSOWPQGAT-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2nccs2)c2ccccc21 ZINC000593685089 1033007087 /nfs/dbraw/zinc/00/70/87/1033007087.db2.gz BJNBVGWVWWBXBS-LSDHHAIUSA-N 1 2 330.453 3.803 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2c[nH]c3ncc(Br)cc23)C[C@H]1F ZINC001140458654 1021886516 /nfs/dbraw/zinc/88/65/16/1021886516.db2.gz UYNFZHYGIWAPIO-NOZJJQNGSA-N 1 2 326.213 3.505 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C[C@H]1F ZINC001140458654 1021886532 /nfs/dbraw/zinc/88/65/32/1021886532.db2.gz UYNFZHYGIWAPIO-NOZJJQNGSA-N 1 2 326.213 3.505 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673897 1033014508 /nfs/dbraw/zinc/01/45/08/1033014508.db2.gz QXNKZUYDRANBPT-BXKDBHETSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673897 1033014523 /nfs/dbraw/zinc/01/45/23/1033014523.db2.gz QXNKZUYDRANBPT-BXKDBHETSA-N 1 2 348.415 3.617 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCOC2(CCC2)C1 ZINC000897624928 1033015141 /nfs/dbraw/zinc/01/51/41/1033015141.db2.gz DSAZLYUIOFGRDN-HNNXBMFYSA-N 1 2 325.412 3.673 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C2CC2)cc1OC ZINC000891554726 1021918523 /nfs/dbraw/zinc/91/85/23/1021918523.db2.gz MIJFFTOSLOWHNL-INIZCTEOSA-N 1 2 327.428 3.572 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C2CC2)cc1OC ZINC000891554726 1021918534 /nfs/dbraw/zinc/91/85/34/1021918534.db2.gz MIJFFTOSLOWHNL-INIZCTEOSA-N 1 2 327.428 3.572 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000519196397 1021927006 /nfs/dbraw/zinc/92/70/06/1021927006.db2.gz ALKQNRRCNFUTFJ-VQIMIIECSA-N 1 2 345.487 3.876 20 0 EHADLO CC[C@H](c1ccccc1)N(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000520160062 1021974110 /nfs/dbraw/zinc/97/41/10/1021974110.db2.gz VQZIPZILANOFJZ-GOSISDBHSA-N 1 2 328.460 3.846 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c2nccn21 ZINC000517072980 1021982831 /nfs/dbraw/zinc/98/28/31/1021982831.db2.gz CZUMVAYBGPCCCN-KMUNFCNLSA-N 1 2 340.254 3.909 20 0 EHADLO Cc1ccccc1CCNC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000520173776 1021988738 /nfs/dbraw/zinc/98/87/38/1021988738.db2.gz AZOBMKNQUWTYQK-UHFFFAOYSA-N 1 2 342.458 3.703 20 0 EHADLO Cc1ccccc1CCNC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000520173776 1021988749 /nfs/dbraw/zinc/98/87/49/1021988749.db2.gz AZOBMKNQUWTYQK-UHFFFAOYSA-N 1 2 342.458 3.703 20 0 EHADLO Cc1cc(NCC2(c3ccccc3C)CCOCC2)nc(C2CC2)[nH+]1 ZINC000341465996 1021996080 /nfs/dbraw/zinc/99/60/80/1021996080.db2.gz CXGGAVQABGTRJQ-UHFFFAOYSA-N 1 2 337.467 3.553 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000341466774 1021998980 /nfs/dbraw/zinc/99/89/80/1021998980.db2.gz UVWHBACOEZXNEM-CYBMUJFWSA-N 1 2 338.455 3.681 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440270306 1022057070 /nfs/dbraw/zinc/05/70/70/1022057070.db2.gz WIYCFWSFIVZHKM-SQWLQELKSA-N 1 2 345.874 3.750 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440270303 1022057545 /nfs/dbraw/zinc/05/75/45/1022057545.db2.gz WIYCFWSFIVZHKM-DZKIICNBSA-N 1 2 345.874 3.750 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260314 1022061822 /nfs/dbraw/zinc/06/18/22/1022061822.db2.gz KXJXCPAOQWMGRK-KZULUSFZSA-N 1 2 328.366 3.566 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260314 1022061841 /nfs/dbraw/zinc/06/18/41/1022061841.db2.gz KXJXCPAOQWMGRK-KZULUSFZSA-N 1 2 328.366 3.566 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccccc4C)OC[C@H]3C)ccn12 ZINC000519422458 1022083440 /nfs/dbraw/zinc/08/34/40/1022083440.db2.gz WBYNWHUWPPQGHT-VQIMIIECSA-N 1 2 349.434 3.553 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCSc2ccc(Cl)cc2)no1 ZINC000441271568 1022120435 /nfs/dbraw/zinc/12/04/35/1022120435.db2.gz RESRXKBKXHGEAA-UHFFFAOYSA-N 1 2 325.865 3.902 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc(Cl)c1OC ZINC000579232698 1022125581 /nfs/dbraw/zinc/12/55/81/1022125581.db2.gz XBMUAPCHBIKMLJ-GFCCVEGCSA-N 1 2 325.836 3.501 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc(Cl)c1OC ZINC000579232698 1022125584 /nfs/dbraw/zinc/12/55/84/1022125584.db2.gz XBMUAPCHBIKMLJ-GFCCVEGCSA-N 1 2 325.836 3.501 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323381 1022159441 /nfs/dbraw/zinc/15/94/41/1022159441.db2.gz JZFVZFVRRJUWCH-GWCFXTLKSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323381 1022159447 /nfs/dbraw/zinc/15/94/47/1022159447.db2.gz JZFVZFVRRJUWCH-GWCFXTLKSA-N 1 2 343.324 3.897 20 0 EHADLO COCc1nc(C[NH2+]Cc2c(C)noc2C)c(-c2ccccc2)s1 ZINC000441324864 1022161475 /nfs/dbraw/zinc/16/14/75/1022161475.db2.gz AOWGCGQTGCUPNJ-UHFFFAOYSA-N 1 2 343.452 3.851 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000520389945 1022199870 /nfs/dbraw/zinc/19/98/70/1022199870.db2.gz ZFKQKPOCGXVWCT-JSGCOSHPSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000520389945 1022199875 /nfs/dbraw/zinc/19/98/75/1022199875.db2.gz ZFKQKPOCGXVWCT-JSGCOSHPSA-N 1 2 339.357 3.537 20 0 EHADLO CCC[C@@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OCC ZINC000441386501 1022204736 /nfs/dbraw/zinc/20/47/36/1022204736.db2.gz ORWHMUOHZGPTQN-MOPGFXCFSA-N 1 2 343.471 3.563 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2ncc(C)s2)[C@H](C)C1 ZINC000441391239 1022206995 /nfs/dbraw/zinc/20/69/95/1022206995.db2.gz ZUUKQPJPZKJGKV-OAHLLOKOSA-N 1 2 345.512 3.557 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2ncc(C)s2)[C@H](C)C1 ZINC000441391239 1022207016 /nfs/dbraw/zinc/20/70/16/1022207016.db2.gz ZUUKQPJPZKJGKV-OAHLLOKOSA-N 1 2 345.512 3.557 20 0 EHADLO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000548308775 1022212111 /nfs/dbraw/zinc/21/21/11/1022212111.db2.gz WVLCTEMCKUFENQ-CYBMUJFWSA-N 1 2 341.480 3.844 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1cccc(C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000437895110 1022238219 /nfs/dbraw/zinc/23/82/19/1022238219.db2.gz LJQNXTRKJZBQBU-INIZCTEOSA-N 1 2 343.446 3.571 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1cccc(C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000437895110 1022238241 /nfs/dbraw/zinc/23/82/41/1022238241.db2.gz LJQNXTRKJZBQBU-INIZCTEOSA-N 1 2 343.446 3.571 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1 ZINC000437898177 1022239515 /nfs/dbraw/zinc/23/95/15/1022239515.db2.gz TXBIKLOCKRNHSM-IRXDYDNUSA-N 1 2 337.467 3.578 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1 ZINC000437898177 1022239518 /nfs/dbraw/zinc/23/95/18/1022239518.db2.gz TXBIKLOCKRNHSM-IRXDYDNUSA-N 1 2 337.467 3.578 20 0 EHADLO CCc1ncc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)cn1 ZINC000517341248 1022255924 /nfs/dbraw/zinc/25/59/24/1022255924.db2.gz ZZLUVWNPMSRGQB-KRWDZBQOSA-N 1 2 325.460 3.518 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548322057 1022273450 /nfs/dbraw/zinc/27/34/50/1022273450.db2.gz OKERUXOQIYTGHB-VIFPVBQESA-N 1 2 340.761 3.611 20 0 EHADLO COc1cccc2c(NCc3c4c(nn3C)CCCC4)c(C)c[nH+]c12 ZINC000517452090 1022348528 /nfs/dbraw/zinc/34/85/28/1022348528.db2.gz YICGJKDZDDJBLN-UHFFFAOYSA-N 1 2 336.439 3.776 20 0 EHADLO COCCN(Cc1ccccn1)c1cc[nH+]c2c(Cl)cccc12 ZINC000341571124 1022352746 /nfs/dbraw/zinc/35/27/46/1022352746.db2.gz HGJNDTJOIIXVCB-UHFFFAOYSA-N 1 2 327.815 3.936 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cccnc2s1 ZINC000341574187 1022356356 /nfs/dbraw/zinc/35/63/56/1022356356.db2.gz GLTBBRAUXRAGNH-SPSFWMDKSA-N 1 2 345.493 3.622 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cccnc2s1 ZINC000341574187 1022356373 /nfs/dbraw/zinc/35/63/73/1022356373.db2.gz GLTBBRAUXRAGNH-SPSFWMDKSA-N 1 2 345.493 3.622 20 0 EHADLO CC[C@H]1C[C@]1(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C)c1 ZINC000506175170 1022374872 /nfs/dbraw/zinc/37/48/72/1022374872.db2.gz LBGDUJOUUPLNHL-HRAATJIYSA-N 1 2 346.434 3.631 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CO2 ZINC000341580291 1022376769 /nfs/dbraw/zinc/37/67/69/1022376769.db2.gz FOSVYTKANQFOMZ-MRXNPFEDSA-N 1 2 347.353 3.500 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3coc(-c4ccccc4)n3)ccc2[nH+]1 ZINC000438104232 1022389060 /nfs/dbraw/zinc/38/90/60/1022389060.db2.gz KSCWAEJFSXCUJR-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H]2CCc3ccc(C(C)C)cc32)s1 ZINC000894504411 1022421074 /nfs/dbraw/zinc/42/10/74/1022421074.db2.gz RAIUUJNGXDEAID-HNNXBMFYSA-N 1 2 330.453 3.830 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179276 1022443234 /nfs/dbraw/zinc/44/32/34/1022443234.db2.gz XKZSTJQJIQTYQR-JKSUJKDBSA-N 1 2 330.501 3.681 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179276 1022443239 /nfs/dbraw/zinc/44/32/39/1022443239.db2.gz XKZSTJQJIQTYQR-JKSUJKDBSA-N 1 2 330.501 3.681 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000894520968 1022447983 /nfs/dbraw/zinc/44/79/83/1022447983.db2.gz RHAOOODFCBGPQE-ZDUSSCGKSA-N 1 2 338.249 3.764 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000894520968 1022447991 /nfs/dbraw/zinc/44/79/91/1022447991.db2.gz RHAOOODFCBGPQE-ZDUSSCGKSA-N 1 2 338.249 3.764 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119457296 1033059010 /nfs/dbraw/zinc/05/90/10/1033059010.db2.gz YYOAOYAYMBHETR-JUGMSXHOSA-N 1 2 337.467 3.613 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)cc1 ZINC000129905701 1022516412 /nfs/dbraw/zinc/51/64/12/1022516412.db2.gz XWRRKHXUFMZNHT-UHFFFAOYSA-N 1 2 344.263 3.687 20 0 EHADLO CC[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000051333905 1022547029 /nfs/dbraw/zinc/54/70/29/1022547029.db2.gz GFWXTCJPNXAEEI-INIZCTEOSA-N 1 2 341.455 3.700 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)s1 ZINC000438314631 1022552390 /nfs/dbraw/zinc/55/23/90/1022552390.db2.gz ZFTOJBRKPPPDAJ-HNNXBMFYSA-N 1 2 337.872 3.708 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)s1 ZINC000438314632 1022552632 /nfs/dbraw/zinc/55/26/32/1022552632.db2.gz ZFTOJBRKPPPDAJ-OAHLLOKOSA-N 1 2 337.872 3.708 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccccc2Cl)c1C ZINC000051335662 1022576874 /nfs/dbraw/zinc/57/68/74/1022576874.db2.gz ZCOGEPBISRCLSE-CYBMUJFWSA-N 1 2 347.846 3.921 20 0 EHADLO COC(=O)c1c[nH]c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1C1CC1 ZINC000894584830 1022591600 /nfs/dbraw/zinc/59/16/00/1022591600.db2.gz LTXBBPPOSLGXPO-SFHVURJKSA-N 1 2 339.439 3.657 20 0 EHADLO COC(=O)c1c[nH]c(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1C1CC1 ZINC000894584830 1022591616 /nfs/dbraw/zinc/59/16/16/1022591616.db2.gz LTXBBPPOSLGXPO-SFHVURJKSA-N 1 2 339.439 3.657 20 0 EHADLO CCC[C@@H](OC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000718 1022608883 /nfs/dbraw/zinc/60/88/83/1022608883.db2.gz NVPQSSJPQUXJBG-UAGQMJEPSA-N 1 2 345.443 3.519 20 0 EHADLO CCC[C@@H](OC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000718 1022608886 /nfs/dbraw/zinc/60/88/86/1022608886.db2.gz NVPQSSJPQUXJBG-UAGQMJEPSA-N 1 2 345.443 3.519 20 0 EHADLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000891770362 1022612176 /nfs/dbraw/zinc/61/21/76/1022612176.db2.gz IKMGLLHGEWZODR-IBGZPJMESA-N 1 2 337.471 3.825 20 0 EHADLO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000891770362 1022612181 /nfs/dbraw/zinc/61/21/81/1022612181.db2.gz IKMGLLHGEWZODR-IBGZPJMESA-N 1 2 337.471 3.825 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835383 1022627542 /nfs/dbraw/zinc/62/75/42/1022627542.db2.gz FBYROSOOIMDRBY-OXQOHEQNSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835383 1022627546 /nfs/dbraw/zinc/62/75/46/1022627546.db2.gz FBYROSOOIMDRBY-OXQOHEQNSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C(C)(C)C3CC3)n2)O1 ZINC000665002711 1022636633 /nfs/dbraw/zinc/63/66/33/1022636633.db2.gz HWKJOYJEOSQYRE-RHSMWYFYSA-N 1 2 341.455 3.719 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C(C)(C)C3CC3)n2)O1 ZINC000665002711 1022636641 /nfs/dbraw/zinc/63/66/41/1022636641.db2.gz HWKJOYJEOSQYRE-RHSMWYFYSA-N 1 2 341.455 3.719 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC34CCC4)n2)O1 ZINC000665004122 1022638366 /nfs/dbraw/zinc/63/83/66/1022638366.db2.gz RFBBDOXRHSOBOK-DJIMGWMZSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC34CCC4)n2)O1 ZINC000665004122 1022638373 /nfs/dbraw/zinc/63/83/73/1022638373.db2.gz RFBBDOXRHSOBOK-DJIMGWMZSA-N 1 2 339.439 3.689 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000664834816 1022642924 /nfs/dbraw/zinc/64/29/24/1022642924.db2.gz VRPGXWVSYUMYED-OALUTQOASA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000664834816 1022642932 /nfs/dbraw/zinc/64/29/32/1022642932.db2.gz VRPGXWVSYUMYED-OALUTQOASA-N 1 2 335.451 3.660 20 0 EHADLO Cc1c(NCc2cc(C)[nH+]c3c2CCCC3)cnn1C1CCOCC1 ZINC000894668160 1022682680 /nfs/dbraw/zinc/68/26/80/1022682680.db2.gz KINOJQPEVBDYBT-UHFFFAOYSA-N 1 2 340.471 3.737 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(Cl)ccc1OC(F)F ZINC000550185637 1022690689 /nfs/dbraw/zinc/69/06/89/1022690689.db2.gz XTHZEMQZYIMCEX-UHFFFAOYSA-N 1 2 337.713 3.841 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838534 1022711614 /nfs/dbraw/zinc/71/16/14/1022711614.db2.gz STPGKDSNIPUVQV-MAUKXSAKSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838534 1022711627 /nfs/dbraw/zinc/71/16/27/1022711627.db2.gz STPGKDSNIPUVQV-MAUKXSAKSA-N 1 2 329.488 3.644 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000345985672 1022719728 /nfs/dbraw/zinc/71/97/28/1022719728.db2.gz SRROIHVKSGUJQR-WMZOPIPTSA-N 1 2 343.496 3.783 20 0 EHADLO CCOc1ccc(CCC2CC[NH+](Cc3cn[nH]c3C)CC2)cc1 ZINC000506260320 1022742395 /nfs/dbraw/zinc/74/23/95/1022742395.db2.gz WEAHDPXJJBKAJS-UHFFFAOYSA-N 1 2 327.472 3.962 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000684513153 1022749060 /nfs/dbraw/zinc/74/90/60/1022749060.db2.gz GEIGCYKSQQUHHR-UHFFFAOYSA-N 1 2 331.847 3.723 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699019 1022753838 /nfs/dbraw/zinc/75/38/38/1022753838.db2.gz DWRPPAOTBZGDDP-FRRDWIJNSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1csc(C(F)(F)F)n1 ZINC000894699019 1022753846 /nfs/dbraw/zinc/75/38/46/1022753846.db2.gz DWRPPAOTBZGDDP-FRRDWIJNSA-N 1 2 334.407 3.677 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476259445 1033077758 /nfs/dbraw/zinc/07/77/58/1033077758.db2.gz XOJGDGVOSMTOAN-CLROSIBMSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476259445 1033077770 /nfs/dbraw/zinc/07/77/70/1033077770.db2.gz XOJGDGVOSMTOAN-CLROSIBMSA-N 1 2 338.854 3.633 20 0 EHADLO Cc1nc2ccc(CN3CC[NH+](Cc4ccco4)CC3)cc2s1 ZINC000426079956 1022844318 /nfs/dbraw/zinc/84/43/18/1022844318.db2.gz WFXLVBQWJVPKHF-UHFFFAOYSA-N 1 2 327.453 3.516 20 0 EHADLO Cc1nc2ccc(C[NH+]3CCN(Cc4ccco4)CC3)cc2s1 ZINC000426079956 1022844324 /nfs/dbraw/zinc/84/43/24/1022844324.db2.gz WFXLVBQWJVPKHF-UHFFFAOYSA-N 1 2 327.453 3.516 20 0 EHADLO COC(=O)CC[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccccc1 ZINC000293697332 1022894656 /nfs/dbraw/zinc/89/46/56/1022894656.db2.gz WUPWEZDEILZONV-HNNXBMFYSA-N 1 2 333.815 3.830 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000293806349 1022917521 /nfs/dbraw/zinc/91/75/21/1022917521.db2.gz VITFOTNVGJFYME-MRVPVSSYSA-N 1 2 342.212 3.693 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)s1 ZINC000341666808 1022933431 /nfs/dbraw/zinc/93/34/31/1022933431.db2.gz GXBPHVMIQXAIHG-CQSZACIVSA-N 1 2 337.876 3.909 20 0 EHADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(CCC2CCCCC2)oc1=S ZINC000176094639 1023023041 /nfs/dbraw/zinc/02/30/41/1023023041.db2.gz PBSUWVJVWSUSAQ-OAHLLOKOSA-N 1 2 339.505 3.644 20 0 EHADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(CCC2CCCCC2)oc1=S ZINC000176094639 1023023053 /nfs/dbraw/zinc/02/30/53/1023023053.db2.gz PBSUWVJVWSUSAQ-OAHLLOKOSA-N 1 2 339.505 3.644 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000189553910 1023052407 /nfs/dbraw/zinc/05/24/07/1023052407.db2.gz FYPLHIWRKBDXJB-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO C[C@H]1CC=CC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000341704656 1023073398 /nfs/dbraw/zinc/07/33/98/1023073398.db2.gz WYRQZQOTVIYCLK-MAUKXSAKSA-N 1 2 327.472 3.528 20 0 EHADLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ncnc2c1cnn2C ZINC000509583243 1023099920 /nfs/dbraw/zinc/09/99/20/1023099920.db2.gz CLPJSPUVPCUISB-AWEZNQCLSA-N 1 2 336.443 3.794 20 0 EHADLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ncnc2c1cnn2C ZINC000509583243 1023099934 /nfs/dbraw/zinc/09/99/34/1023099934.db2.gz CLPJSPUVPCUISB-AWEZNQCLSA-N 1 2 336.443 3.794 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CF)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009887 1023106277 /nfs/dbraw/zinc/10/62/77/1023106277.db2.gz GSZALYNCZDQKGN-MJGOQNOKSA-N 1 2 336.426 3.607 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009887 1023106284 /nfs/dbraw/zinc/10/62/84/1023106284.db2.gz GSZALYNCZDQKGN-MJGOQNOKSA-N 1 2 336.426 3.607 20 0 EHADLO c1ccc(COc2cccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)c2)cc1 ZINC000294901009 1023123532 /nfs/dbraw/zinc/12/35/32/1023123532.db2.gz XGKWXSHAMKKSKD-UHFFFAOYSA-N 1 2 334.423 3.551 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CCCOCC3)co2)cc1 ZINC000366739360 1023153768 /nfs/dbraw/zinc/15/37/68/1023153768.db2.gz LIBSUVPJBWHFPO-UHFFFAOYSA-N 1 2 326.318 3.583 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CCCOCC3)co2)cc1 ZINC000366739360 1023153777 /nfs/dbraw/zinc/15/37/77/1023153777.db2.gz LIBSUVPJBWHFPO-UHFFFAOYSA-N 1 2 326.318 3.583 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccs2)c(C)c1 ZINC000441483632 1023165947 /nfs/dbraw/zinc/16/59/47/1023165947.db2.gz WLFYQTORSTXFEZ-INIZCTEOSA-N 1 2 325.437 3.733 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000441484367 1023171204 /nfs/dbraw/zinc/17/12/04/1023171204.db2.gz AFVGRDNRBLNZSJ-SFHVURJKSA-N 1 2 337.423 3.881 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000190469706 1023202734 /nfs/dbraw/zinc/20/27/34/1023202734.db2.gz FERBUGBSDFSFTI-SJORKVTESA-N 1 2 334.508 3.836 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000438998384 1023209260 /nfs/dbraw/zinc/20/92/60/1023209260.db2.gz IRHQFGUYGIOKQC-DYESRHJHSA-N 1 2 329.403 3.715 20 0 EHADLO CC1(C)C(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1(C)C ZINC001270425636 1023210095 /nfs/dbraw/zinc/21/00/95/1023210095.db2.gz HOJACBKFZOVTSF-QGZVFWFLSA-N 1 2 346.540 3.575 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C)o1 ZINC000438998397 1023210110 /nfs/dbraw/zinc/21/01/10/1023210110.db2.gz IUUFADDXUVYXSM-DYVFJYSZSA-N 1 2 346.427 3.593 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1nccn1C(F)F ZINC000507259450 1023215724 /nfs/dbraw/zinc/21/57/24/1023215724.db2.gz AKNVSNJYEPUSFF-UVTDQMKNSA-N 1 2 335.398 3.960 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000507259450 1023215734 /nfs/dbraw/zinc/21/57/34/1023215734.db2.gz AKNVSNJYEPUSFF-UVTDQMKNSA-N 1 2 335.398 3.960 20 0 EHADLO O=C(NCc1ccncc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036063 1023226012 /nfs/dbraw/zinc/22/60/12/1023226012.db2.gz FCMHAVNFIZCRRQ-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H](C)Cc1ccsc1 ZINC000459067112 1023231212 /nfs/dbraw/zinc/23/12/12/1023231212.db2.gz AXQHVODHWZUXKY-OAHLLOKOSA-N 1 2 331.485 3.923 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3cccc(Cl)c3C2)c[nH+]1 ZINC000459071585 1023238309 /nfs/dbraw/zinc/23/83/09/1023238309.db2.gz HPAXLDIGKPAQHF-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000132240729 1023241789 /nfs/dbraw/zinc/24/17/89/1023241789.db2.gz QCVXCOHKBUDEKH-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO O[C@H](COCc1ccccc1Cl)C[N@H+](CC(F)F)CC1CCC1 ZINC000536419736 1023243742 /nfs/dbraw/zinc/24/37/42/1023243742.db2.gz HBNYCVBMXGLAER-HNNXBMFYSA-N 1 2 347.833 3.585 20 0 EHADLO O[C@H](COCc1ccccc1Cl)C[N@@H+](CC(F)F)CC1CCC1 ZINC000536419736 1023243749 /nfs/dbraw/zinc/24/37/49/1023243749.db2.gz HBNYCVBMXGLAER-HNNXBMFYSA-N 1 2 347.833 3.585 20 0 EHADLO CN(C)C(=O)C[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000507345068 1023257213 /nfs/dbraw/zinc/25/72/13/1023257213.db2.gz FUHQEZGRNXIUPC-KAVGSWPWSA-N 1 2 334.463 3.803 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc1 ZINC000507352651 1023262250 /nfs/dbraw/zinc/26/22/50/1023262250.db2.gz LGAHXPFTHYTZDQ-MRXNPFEDSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc1 ZINC000507352651 1023262257 /nfs/dbraw/zinc/26/22/57/1023262257.db2.gz LGAHXPFTHYTZDQ-MRXNPFEDSA-N 1 2 343.427 3.851 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000133188637 1023298994 /nfs/dbraw/zinc/29/89/94/1023298994.db2.gz BNGLNNBWLQUHMT-NEPJUHHUSA-N 1 2 335.245 3.737 20 0 EHADLO CCc1nc([C@H]2CCCCN2c2cc(C)[nH+]c(C3CCC3)n2)no1 ZINC000891926773 1023422415 /nfs/dbraw/zinc/42/24/15/1023422415.db2.gz ZSFPKKHZZDQAES-CQSZACIVSA-N 1 2 327.432 3.730 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000341838421 1023430892 /nfs/dbraw/zinc/43/08/92/1023430892.db2.gz YXNKDAVYKJZFED-UHFFFAOYSA-N 1 2 333.453 3.628 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000341838421 1023430896 /nfs/dbraw/zinc/43/08/96/1023430896.db2.gz YXNKDAVYKJZFED-UHFFFAOYSA-N 1 2 333.453 3.628 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)c1 ZINC000891929057 1023432392 /nfs/dbraw/zinc/43/23/92/1023432392.db2.gz LFJSFUZDQIHFAZ-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)c1 ZINC000891929057 1023432399 /nfs/dbraw/zinc/43/23/99/1023432399.db2.gz LFJSFUZDQIHFAZ-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H]3c3cccn3C)nc(N)c2c1C ZINC000684569726 1023432447 /nfs/dbraw/zinc/43/24/47/1023432447.db2.gz HLALJQPPPPWDSI-AWEZNQCLSA-N 1 2 341.484 3.566 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H]3c3cccn3C)nc(N)c2c1C ZINC000684569726 1023432452 /nfs/dbraw/zinc/43/24/52/1023432452.db2.gz HLALJQPPPPWDSI-AWEZNQCLSA-N 1 2 341.484 3.566 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000341867672 1023496519 /nfs/dbraw/zinc/49/65/19/1023496519.db2.gz CDLHNGREQGGZTL-UHFFFAOYSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000476338518 1033141752 /nfs/dbraw/zinc/14/17/52/1033141752.db2.gz YFKBHOJAKNPHRI-AWEZNQCLSA-N 1 2 349.425 3.908 20 0 EHADLO Cc1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c(C)c[nH+]1 ZINC000535748698 1023604784 /nfs/dbraw/zinc/60/47/84/1023604784.db2.gz XUVXRLURZQYFQY-UHFFFAOYSA-N 1 2 347.340 3.883 20 0 EHADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001299159764 1023614127 /nfs/dbraw/zinc/61/41/27/1023614127.db2.gz AFKUYIBCBQCFPJ-OAHLLOKOSA-N 1 2 337.398 3.715 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535772498 1023622551 /nfs/dbraw/zinc/62/25/51/1023622551.db2.gz FDEYJIAQXSVOSL-MRXNPFEDSA-N 1 2 327.428 3.792 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000535774181 1023625616 /nfs/dbraw/zinc/62/56/16/1023625616.db2.gz RRVDWXCNFFKEIR-DLBZAZTESA-N 1 2 333.476 3.568 20 0 EHADLO Cc1cc(NC(=O)N(C)CCc2cccc3ccccc32)c(C)c[nH+]1 ZINC000535774063 1023625788 /nfs/dbraw/zinc/62/57/88/1023625788.db2.gz IHHXOKFLNNRXPL-UHFFFAOYSA-N 1 2 333.435 3.980 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCc3nc(C)ncc3C2)cc1 ZINC000535788344 1023636180 /nfs/dbraw/zinc/63/61/80/1023636180.db2.gz DOLQODXXHVGUST-UHFFFAOYSA-N 1 2 325.456 3.912 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCc3nc(C)ncc3C2)cc1 ZINC000535788344 1023636184 /nfs/dbraw/zinc/63/61/84/1023636184.db2.gz DOLQODXXHVGUST-UHFFFAOYSA-N 1 2 325.456 3.912 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(OC)ccc(F)c1F ZINC001143418391 1023737806 /nfs/dbraw/zinc/73/78/06/1023737806.db2.gz SOFROXFOWGZCOV-UHFFFAOYSA-N 1 2 335.350 3.724 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(OC)ccc(F)c1F ZINC001143418391 1023737811 /nfs/dbraw/zinc/73/78/11/1023737811.db2.gz SOFROXFOWGZCOV-UHFFFAOYSA-N 1 2 335.350 3.724 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000342002525 1023752887 /nfs/dbraw/zinc/75/28/87/1023752887.db2.gz LZAJXLVKJSIFLW-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000342074926 1023832732 /nfs/dbraw/zinc/83/27/32/1023832732.db2.gz WMQDGBNZXRMHCM-LJQANCHMSA-N 1 2 346.434 3.518 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(Br)cs2)[nH]1 ZINC000277157367 1023894008 /nfs/dbraw/zinc/89/40/08/1023894008.db2.gz GLLBNCSBSDAASV-BDAKNGLRSA-N 1 2 343.294 3.993 20 0 EHADLO Clc1nccc2cc(C[N@@H+]3CCO[C@]4(CCSC4)C3)sc21 ZINC000895075651 1023952457 /nfs/dbraw/zinc/95/24/57/1023952457.db2.gz FAQOYYFYNHFFJD-OAHLLOKOSA-N 1 2 340.901 3.658 20 0 EHADLO Clc1nccc2cc(C[N@H+]3CCO[C@]4(CCSC4)C3)sc21 ZINC000895075651 1023952462 /nfs/dbraw/zinc/95/24/62/1023952462.db2.gz FAQOYYFYNHFFJD-OAHLLOKOSA-N 1 2 340.901 3.658 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2ncc(Br)cc2F)[nH+]c1C ZINC000895197922 1023953974 /nfs/dbraw/zinc/95/39/74/1023953974.db2.gz XKBMHGXWTVMAGR-GFCCVEGCSA-N 1 2 339.212 3.665 20 0 EHADLO O=C(NC1CCC2(CC2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000434336426 1023962816 /nfs/dbraw/zinc/96/28/16/1023962816.db2.gz YCDHKKOBGDSHJR-UHFFFAOYSA-N 1 2 344.503 3.808 20 0 EHADLO C[C@@H](OCCCNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000192269350 1023968150 /nfs/dbraw/zinc/96/81/50/1023968150.db2.gz VHBXEJUECLEJTR-MRXNPFEDSA-N 1 2 326.444 3.657 20 0 EHADLO C[C@@H](OCCCNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000192269350 1023968158 /nfs/dbraw/zinc/96/81/58/1023968158.db2.gz VHBXEJUECLEJTR-MRXNPFEDSA-N 1 2 326.444 3.657 20 0 EHADLO COCc1cc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)no1 ZINC000639385603 1023981248 /nfs/dbraw/zinc/98/12/48/1023981248.db2.gz BMDKQSSWMPSIPM-UHFFFAOYSA-N 1 2 334.725 3.783 20 0 EHADLO Cc1cc(NCC[C@@H]2CCC3(CCOCC3)CO2)nc(C2CCC2)[nH+]1 ZINC000895217746 1023986944 /nfs/dbraw/zinc/98/69/44/1023986944.db2.gz KVRYYDABSYTARZ-KRWDZBQOSA-N 1 2 345.487 3.830 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OC3CCC3)c(F)c2)c[nH+]1 ZINC000896839171 1023987688 /nfs/dbraw/zinc/98/76/88/1023987688.db2.gz VXBGBVOZERBNFS-UHFFFAOYSA-N 1 2 331.391 3.636 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1C ZINC000544355140 1023999371 /nfs/dbraw/zinc/99/93/71/1023999371.db2.gz GCPZITKPMZDSCX-HXUWFJFHSA-N 1 2 338.430 3.933 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513991508 1024020998 /nfs/dbraw/zinc/02/09/98/1024020998.db2.gz HGWZGSOMFLEOFH-LJQANCHMSA-N 1 2 342.870 3.754 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1C ZINC000513993162 1024021389 /nfs/dbraw/zinc/02/13/89/1024021389.db2.gz YJNZWPZIYBJWHC-GOSISDBHSA-N 1 2 328.843 3.744 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513997997 1024040840 /nfs/dbraw/zinc/04/08/40/1024040840.db2.gz XZZRITRRDHIHDI-DNVCBOLYSA-N 1 2 342.870 3.925 20 0 EHADLO CCC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCCC1 ZINC000655620928 1024043283 /nfs/dbraw/zinc/04/32/83/1024043283.db2.gz HHBTVLXMIHGVNO-KRWDZBQOSA-N 1 2 340.471 3.726 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1F ZINC000514001390 1024044769 /nfs/dbraw/zinc/04/47/69/1024044769.db2.gz JPRJTGLLECTRNX-SCLBCKFNSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592394 1024053995 /nfs/dbraw/zinc/05/39/95/1024053995.db2.gz QZCSKSHKQSJQIH-ZDUSSCGKSA-N 1 2 327.371 3.799 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143592394 1024054012 /nfs/dbraw/zinc/05/40/12/1024054012.db2.gz QZCSKSHKQSJQIH-ZDUSSCGKSA-N 1 2 327.371 3.799 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(F)c(C(=O)N2CCCCC2)c1 ZINC001211869065 1024074826 /nfs/dbraw/zinc/07/48/26/1024074826.db2.gz PWLIDQMGHUXYNH-UHFFFAOYSA-N 1 2 343.402 3.989 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(-c3ccc(F)cc3)cs1)CCC2 ZINC000443886488 1024094595 /nfs/dbraw/zinc/09/45/95/1024094595.db2.gz CNCSTFPIGJSASF-CQSZACIVSA-N 1 2 342.443 3.866 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1nc(-c3ccc(F)cc3)cs1)CCC2 ZINC000443886487 1024095007 /nfs/dbraw/zinc/09/50/07/1024095007.db2.gz CNCSTFPIGJSASF-AWEZNQCLSA-N 1 2 342.443 3.866 20 0 EHADLO COc1ccccc1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434499184 1024100517 /nfs/dbraw/zinc/10/05/17/1024100517.db2.gz XELKSYNLWIUKIH-UHFFFAOYSA-N 1 2 342.414 3.595 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000151348489 1024103458 /nfs/dbraw/zinc/10/34/58/1024103458.db2.gz LTUJZJQXZDNIOS-HZPDHXFCSA-N 1 2 339.345 3.893 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000522627451 1024113946 /nfs/dbraw/zinc/11/39/46/1024113946.db2.gz IHXDBZIRLXQAKI-HOTGVXAUSA-N 1 2 347.503 3.996 20 0 EHADLO CC1(C)Cc2cc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc2O1 ZINC000346030617 1024114406 /nfs/dbraw/zinc/11/44/06/1024114406.db2.gz LORGWOHOZJHNCC-SFHVURJKSA-N 1 2 336.435 3.613 20 0 EHADLO CC1(C)Cc2cc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)ccc2O1 ZINC000346030617 1024114409 /nfs/dbraw/zinc/11/44/09/1024114409.db2.gz LORGWOHOZJHNCC-SFHVURJKSA-N 1 2 336.435 3.613 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccc(F)cc3)co2)cc1 ZINC000443552977 1024132223 /nfs/dbraw/zinc/13/22/23/1024132223.db2.gz XDSZLELVXNMJFY-SFHVURJKSA-N 1 2 326.371 3.612 20 0 EHADLO COc1ccccc1[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000170982100 1024147447 /nfs/dbraw/zinc/14/74/47/1024147447.db2.gz ZVSRRXCEFLQUTF-GOSISDBHSA-N 1 2 345.406 3.573 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000514125299 1024153978 /nfs/dbraw/zinc/15/39/78/1024153978.db2.gz SVOFTLQVEHWZJS-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000514125299 1024153986 /nfs/dbraw/zinc/15/39/86/1024153986.db2.gz SVOFTLQVEHWZJS-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H](Cc1ccccc1)c1sccc1C)C1CC1 ZINC000514121033 1024162869 /nfs/dbraw/zinc/16/28/69/1024162869.db2.gz QXKMPWIFEOFHCG-IAGOWNOFSA-N 1 2 329.465 3.882 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329816077 1024207135 /nfs/dbraw/zinc/20/71/35/1024207135.db2.gz FGXXZZPFPITSCU-MBNYWOFBSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329816077 1024207157 /nfs/dbraw/zinc/20/71/57/1024207157.db2.gz FGXXZZPFPITSCU-MBNYWOFBSA-N 1 2 333.457 3.749 20 0 EHADLO Fc1cc2cccnc2c(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434624949 1024221001 /nfs/dbraw/zinc/22/10/01/1024221001.db2.gz RYEYGUUKQJXSPC-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Fc1cc2cccnc2c(C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434624949 1024221012 /nfs/dbraw/zinc/22/10/12/1024221012.db2.gz RYEYGUUKQJXSPC-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@H](C)C2CCCCC2)CC[NH2+]1 ZINC000505453055 1024237782 /nfs/dbraw/zinc/23/77/82/1024237782.db2.gz IDDUKJYBTRUAKG-LPHOPBHVSA-N 1 2 344.499 3.775 20 0 EHADLO CC(C)Oc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342156781 1024254035 /nfs/dbraw/zinc/25/40/35/1024254035.db2.gz PALCZNREMGDLDG-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505467624 1024293872 /nfs/dbraw/zinc/29/38/72/1024293872.db2.gz HHQWWASDWLUVOD-FOIQADDNSA-N 1 2 340.442 3.665 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2cc(F)ccc2[nH]1 ZINC000342172281 1024295694 /nfs/dbraw/zinc/29/56/94/1024295694.db2.gz YFSGFIAAIYFVHY-UHFFFAOYSA-N 1 2 338.317 3.884 20 0 EHADLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H]1CCC(C)(C)O1 ZINC000330057382 1024305184 /nfs/dbraw/zinc/30/51/84/1024305184.db2.gz XJSOMLINSHZNAR-INIZCTEOSA-N 1 2 347.459 3.856 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC[NH2+]1 ZINC000505477249 1024320205 /nfs/dbraw/zinc/32/02/05/1024320205.db2.gz SCKMWQYPQQBSSZ-ZHALLVOQSA-N 1 2 344.499 3.631 20 0 EHADLO Cc1ccsc1CN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425145593 1024321914 /nfs/dbraw/zinc/32/19/14/1024321914.db2.gz GRBYINKSAXIEPH-MRXNPFEDSA-N 1 2 339.464 3.960 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089981 1024331374 /nfs/dbraw/zinc/33/13/74/1024331374.db2.gz LVGDWFMTULTDMV-YVEFUNNKSA-N 1 2 342.414 3.806 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089981 1024331390 /nfs/dbraw/zinc/33/13/90/1024331390.db2.gz LVGDWFMTULTDMV-YVEFUNNKSA-N 1 2 342.414 3.806 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089980 1024332642 /nfs/dbraw/zinc/33/26/42/1024332642.db2.gz LVGDWFMTULTDMV-SJKOYZFVSA-N 1 2 342.414 3.806 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089980 1024332657 /nfs/dbraw/zinc/33/26/57/1024332657.db2.gz LVGDWFMTULTDMV-SJKOYZFVSA-N 1 2 342.414 3.806 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000193710382 1024343493 /nfs/dbraw/zinc/34/34/93/1024343493.db2.gz NANRFEYDVINJTK-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000193710382 1024343508 /nfs/dbraw/zinc/34/35/08/1024343508.db2.gz NANRFEYDVINJTK-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO COc1cccc2c1ccnc2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895350370 1024360441 /nfs/dbraw/zinc/36/04/41/1024360441.db2.gz RZAINJDCZMMWLA-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(-c3cccc(OC)c3)no2)s1 ZINC000897842040 1033205785 /nfs/dbraw/zinc/20/57/85/1033205785.db2.gz UDVXAPUAVHDVIV-UHFFFAOYSA-N 1 2 329.425 3.659 20 0 EHADLO Cc1noc(C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccc2)n1 ZINC000277264507 1024379354 /nfs/dbraw/zinc/37/93/54/1024379354.db2.gz XEYRGQONJTWTKF-INIZCTEOSA-N 1 2 335.411 3.750 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000602856773 1033210475 /nfs/dbraw/zinc/21/04/75/1033210475.db2.gz RNKGGMBHUGWSRT-DZGCQCFKSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000602856773 1033210487 /nfs/dbraw/zinc/21/04/87/1033210487.db2.gz RNKGGMBHUGWSRT-DZGCQCFKSA-N 1 2 332.473 3.658 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3CCCCCC3)CC2)c1 ZINC000505519033 1024428882 /nfs/dbraw/zinc/42/88/82/1024428882.db2.gz ICJAIRKMXGXAQB-KRWDZBQOSA-N 1 2 344.499 3.871 20 0 EHADLO CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1nccs1 ZINC000425193525 1024432193 /nfs/dbraw/zinc/43/21/93/1024432193.db2.gz MKCNRIUPUNHXAY-GJZGRUSLSA-N 1 2 340.452 3.656 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000840167120 1024438845 /nfs/dbraw/zinc/43/88/45/1024438845.db2.gz PQBOJGLIUNUDAK-LBPRGKRZSA-N 1 2 334.464 3.717 20 0 EHADLO Cc1nn(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000840167120 1024438851 /nfs/dbraw/zinc/43/88/51/1024438851.db2.gz PQBOJGLIUNUDAK-LBPRGKRZSA-N 1 2 334.464 3.717 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000505536305 1024448954 /nfs/dbraw/zinc/44/89/54/1024448954.db2.gz OBVBMNZYDJOERF-QZTJIDSGSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1cc(N2CC[C@H](Oc3ccccc3Cl)C2)nc(C2CC2)[nH+]1 ZINC000443708908 1024461927 /nfs/dbraw/zinc/46/19/27/1024461927.db2.gz VDOIFNYYHNIESP-AWEZNQCLSA-N 1 2 329.831 3.974 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000346069275 1024469075 /nfs/dbraw/zinc/46/90/75/1024469075.db2.gz QAHNXUIKKQTECZ-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccoc2C2CC2)c1)[NH+]1CCOCC1 ZINC000281981923 1024471376 /nfs/dbraw/zinc/47/13/76/1024471376.db2.gz UBZOKBCWYWTUFW-CQSZACIVSA-N 1 2 340.423 3.803 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC001167505072 1024473807 /nfs/dbraw/zinc/47/38/07/1024473807.db2.gz QFWVCWTXLDIBOW-RHSMWYFYSA-N 1 2 337.872 3.683 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC001167505072 1024473814 /nfs/dbraw/zinc/47/38/14/1024473814.db2.gz QFWVCWTXLDIBOW-RHSMWYFYSA-N 1 2 337.872 3.683 20 0 EHADLO Cc1cc(CNC(=O)NCCC2CCC(F)(F)CC2)cc(C)[nH+]1 ZINC000895411223 1024482391 /nfs/dbraw/zinc/48/23/91/1024482391.db2.gz MIXMRSDKVRRETJ-UHFFFAOYSA-N 1 2 325.403 3.713 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425236628 1024486339 /nfs/dbraw/zinc/48/63/39/1024486339.db2.gz ONZSUHVKJNLXNR-SOLBZPMBSA-N 1 2 325.456 3.969 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1Cl ZINC000505565265 1024500160 /nfs/dbraw/zinc/50/01/60/1024500160.db2.gz IVMRDJUTILPZML-QGZVFWFLSA-N 1 2 346.833 3.503 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000425242667 1024507463 /nfs/dbraw/zinc/50/74/63/1024507463.db2.gz CRTSUOQRANMBBQ-NXWXRZEISA-N 1 2 337.467 3.969 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000052246153 1024508088 /nfs/dbraw/zinc/50/80/88/1024508088.db2.gz IIJHTFXJUAKMRX-KRWDZBQOSA-N 1 2 333.370 3.704 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC[S@@]1=O ZINC000346195266 1024515892 /nfs/dbraw/zinc/51/58/92/1024515892.db2.gz WJBOSPXJVISQTG-IERDGZPVSA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[S@@]1=O ZINC000346195266 1024515899 /nfs/dbraw/zinc/51/58/99/1024515899.db2.gz WJBOSPXJVISQTG-IERDGZPVSA-N 1 2 325.905 3.950 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccns2)c(C(F)(F)F)c1 ZINC000895451449 1024518700 /nfs/dbraw/zinc/51/87/00/1024518700.db2.gz KBKZMGRGWAILGI-UHFFFAOYSA-N 1 2 344.358 3.581 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccns2)c(C(F)(F)F)c1 ZINC000895451449 1024518707 /nfs/dbraw/zinc/51/87/07/1024518707.db2.gz KBKZMGRGWAILGI-UHFFFAOYSA-N 1 2 344.358 3.581 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)[nH]c1C(C)C ZINC000895459713 1024527215 /nfs/dbraw/zinc/52/72/15/1024527215.db2.gz GXLHUZKXWXVRQB-MRXNPFEDSA-N 1 2 336.382 3.864 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cccc(-c3ccncc3)c2)n1 ZINC000342244764 1024532096 /nfs/dbraw/zinc/53/20/96/1024532096.db2.gz KUJSXLJEGKVUOM-UHFFFAOYSA-N 1 2 326.350 3.766 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048795 1033218480 /nfs/dbraw/zinc/21/84/80/1033218480.db2.gz OLUJXQBSNNLUHT-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccn1 ZINC000536476863 1024536762 /nfs/dbraw/zinc/53/67/62/1024536762.db2.gz QYDMFNWGDWEHPI-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccn1 ZINC000536476863 1024536770 /nfs/dbraw/zinc/53/67/70/1024536770.db2.gz QYDMFNWGDWEHPI-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048795 1033218465 /nfs/dbraw/zinc/21/84/65/1033218465.db2.gz OLUJXQBSNNLUHT-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1Cl ZINC000895469432 1024542839 /nfs/dbraw/zinc/54/28/39/1024542839.db2.gz ZRBFKFNDZHLOEE-UHFFFAOYSA-N 1 2 343.858 3.822 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425263332 1024545489 /nfs/dbraw/zinc/54/54/89/1024545489.db2.gz BNZADHYZHXUXPV-SFHVURJKSA-N 1 2 325.456 3.969 20 0 EHADLO CN1C[C@@H](CCNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1=O ZINC000895477834 1024550279 /nfs/dbraw/zinc/55/02/79/1024550279.db2.gz BKKOWCFLLPGFDB-NSHDSACASA-N 1 2 337.345 3.534 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1scnc1C1CC1 ZINC000435034927 1024559188 /nfs/dbraw/zinc/55/91/88/1024559188.db2.gz OUYDYTZDBQCURP-HOTGVXAUSA-N 1 2 342.464 3.899 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1scnc1C1CC1 ZINC000435034927 1024559197 /nfs/dbraw/zinc/55/91/97/1024559197.db2.gz OUYDYTZDBQCURP-HOTGVXAUSA-N 1 2 342.464 3.899 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001143428491 1024565898 /nfs/dbraw/zinc/56/58/98/1024565898.db2.gz KCNRRUZAQZRAFZ-UHFFFAOYSA-N 1 2 335.753 3.851 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CCCC2(COC2)C1 ZINC001143428491 1024565906 /nfs/dbraw/zinc/56/59/06/1024565906.db2.gz KCNRRUZAQZRAFZ-UHFFFAOYSA-N 1 2 335.753 3.851 20 0 EHADLO CCC[C@@](C)([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000934183282 1024571389 /nfs/dbraw/zinc/57/13/89/1024571389.db2.gz BJNABMIDDJZAMU-OAHLLOKOSA-N 1 2 327.350 3.980 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000602868862 1033220569 /nfs/dbraw/zinc/22/05/69/1033220569.db2.gz YGWDMMCBJQRJGC-HNNXBMFYSA-N 1 2 344.484 3.580 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c(OC)c1OC ZINC000391834390 1024576247 /nfs/dbraw/zinc/57/62/47/1024576247.db2.gz IOZZUPQQZKNQAN-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000151767834 1024579744 /nfs/dbraw/zinc/57/97/44/1024579744.db2.gz HQAYNWMIFCLKDQ-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2s1 ZINC000151775992 1024595128 /nfs/dbraw/zinc/59/51/28/1024595128.db2.gz XXXWKLDQOOWQQO-LBPRGKRZSA-N 1 2 340.452 3.817 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000474238638 1024616713 /nfs/dbraw/zinc/61/67/13/1024616713.db2.gz MDSFBMUYSZAFQR-MOPGFXCFSA-N 1 2 348.450 3.860 20 0 EHADLO CC(C)(C)C1CC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000614669604 1024631246 /nfs/dbraw/zinc/63/12/46/1024631246.db2.gz PXVSGDYFHLWTRS-UHFFFAOYSA-N 1 2 349.544 3.680 20 0 EHADLO CCOCc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000346308584 1024633130 /nfs/dbraw/zinc/63/31/30/1024633130.db2.gz CBLKNCAOUZMWSF-UHFFFAOYSA-N 1 2 347.378 3.521 20 0 EHADLO C[C@@H]1CC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@@H](C)C1 ZINC000614671424 1024643963 /nfs/dbraw/zinc/64/39/63/1024643963.db2.gz HHUWGNDCADHLPF-HOTGVXAUSA-N 1 2 349.544 3.680 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474259305 1024655461 /nfs/dbraw/zinc/65/54/61/1024655461.db2.gz NKSUIGGTCUMVJQ-IAGOWNOFSA-N 1 2 328.460 3.738 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)ccc1O ZINC000156897914 1024656432 /nfs/dbraw/zinc/65/64/32/1024656432.db2.gz BHEGNEYJZMZOEF-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)ccc1O ZINC000156897914 1024656440 /nfs/dbraw/zinc/65/64/40/1024656440.db2.gz BHEGNEYJZMZOEF-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO C[C@]1(C2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)COC(=O)N1 ZINC000895613311 1024658057 /nfs/dbraw/zinc/65/80/57/1024658057.db2.gz IMQHIVYHAAOXQA-GOSISDBHSA-N 1 2 345.830 3.603 20 0 EHADLO c1cc2cccc(-c3noc([C@H]4CCC[C@H](c5ccccc5)[NH2+]4)n3)n2n1 ZINC001211884792 1024659007 /nfs/dbraw/zinc/65/90/07/1024659007.db2.gz HWNRFBWKJROJRL-IAGOWNOFSA-N 1 2 345.406 3.940 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425286506 1024659224 /nfs/dbraw/zinc/65/92/24/1024659224.db2.gz URCVLHFJXDEXQA-CVYDXHPNSA-N 1 2 325.456 3.825 20 0 EHADLO NC(=O)Nc1cccc(CNc2cc[nH+]c3c(Cl)cccc23)c1 ZINC000342270798 1024667218 /nfs/dbraw/zinc/66/72/18/1024667218.db2.gz WRQYQJGCSSQAHR-UHFFFAOYSA-N 1 2 326.787 3.991 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)c1 ZINC000156985317 1024680011 /nfs/dbraw/zinc/68/00/11/1024680011.db2.gz XFVUTYCEPKOFGT-UHFFFAOYSA-N 1 2 343.393 3.877 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)cs1 ZINC000536020585 1024687191 /nfs/dbraw/zinc/68/71/91/1024687191.db2.gz JXGUSFFJXRYQJF-UHFFFAOYSA-N 1 2 329.494 3.676 20 0 EHADLO Cc1ccc([C@H](C)c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000346409030 1024698157 /nfs/dbraw/zinc/69/81/57/1024698157.db2.gz KWUVXHRIOUHJMH-AWEZNQCLSA-N 1 2 331.379 3.778 20 0 EHADLO C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333678419 1024701456 /nfs/dbraw/zinc/70/14/56/1024701456.db2.gz DUFPALQSHFQQMG-GDBMZVCRSA-N 1 2 339.439 3.640 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2csc(C(F)(F)F)n2)C2CC2)cn1 ZINC000895675331 1024706607 /nfs/dbraw/zinc/70/66/07/1024706607.db2.gz WUONOKTVJBOVML-ZDUSSCGKSA-N 1 2 343.374 3.806 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc(/C=C\C(=O)OC)o1 ZINC000895687396 1024722521 /nfs/dbraw/zinc/72/25/21/1024722521.db2.gz AYDROVCQLDTEMH-HJWRWDBZSA-N 1 2 332.425 3.726 20 0 EHADLO CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC(C)(C)C1 ZINC000425314400 1024732253 /nfs/dbraw/zinc/73/22/53/1024732253.db2.gz CBZOACNJEMMLSP-QGZVFWFLSA-N 1 2 325.456 3.969 20 0 EHADLO CC(C)[C@@H]1N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425313357 1024732973 /nfs/dbraw/zinc/73/29/73/1024732973.db2.gz LMPOCWIECWPRKD-WMZOPIPTSA-N 1 2 325.456 3.825 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCc3ncncc3C1)CO2 ZINC000895723271 1024767941 /nfs/dbraw/zinc/76/79/41/1024767941.db2.gz UIIFOKGNBBTZJO-UHFFFAOYSA-N 1 2 348.233 3.618 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCc3ncncc3C1)CO2 ZINC000895723271 1024767946 /nfs/dbraw/zinc/76/79/46/1024767946.db2.gz UIIFOKGNBBTZJO-UHFFFAOYSA-N 1 2 348.233 3.618 20 0 EHADLO CCc1nnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000346481791 1024768570 /nfs/dbraw/zinc/76/85/70/1024768570.db2.gz GJORGYVMFJTXLL-SNVBAGLBSA-N 1 2 343.258 3.573 20 0 EHADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000346481791 1024768577 /nfs/dbraw/zinc/76/85/77/1024768577.db2.gz GJORGYVMFJTXLL-SNVBAGLBSA-N 1 2 343.258 3.573 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509266 1024768832 /nfs/dbraw/zinc/76/88/32/1024768832.db2.gz MALZXVJNNPCKLE-ICSRJNTNSA-N 1 2 349.471 3.820 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+]([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509266 1024768842 /nfs/dbraw/zinc/76/88/42/1024768842.db2.gz MALZXVJNNPCKLE-ICSRJNTNSA-N 1 2 349.471 3.820 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000514817512 1024774179 /nfs/dbraw/zinc/77/41/79/1024774179.db2.gz HSXIJWUSYWFAQW-NSHDSACASA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000514817512 1024774190 /nfs/dbraw/zinc/77/41/90/1024774190.db2.gz HSXIJWUSYWFAQW-NSHDSACASA-N 1 2 329.362 3.658 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cnc(C2CCC2)s1)CC1CC1 ZINC000425352480 1024820762 /nfs/dbraw/zinc/82/07/62/1024820762.db2.gz HRNQWEWWUFXUHO-GOSISDBHSA-N 1 2 336.501 3.964 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1cnc(C2CCC2)s1)CC1CC1 ZINC000425352480 1024820779 /nfs/dbraw/zinc/82/07/79/1024820779.db2.gz HRNQWEWWUFXUHO-GOSISDBHSA-N 1 2 336.501 3.964 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH+]2CCN(c3cccs3)CC2)s1 ZINC000892120778 1024850758 /nfs/dbraw/zinc/85/07/58/1024850758.db2.gz JBIJEXLDHLGVTL-UHFFFAOYSA-N 1 2 347.431 3.632 20 0 EHADLO CCOC[C@H]1CCC[C@H]1Nc1ccccc1OCCn1cc[nH+]c1 ZINC000474377919 1024853715 /nfs/dbraw/zinc/85/37/15/1024853715.db2.gz SFMMPQZWMSPVSB-IAGOWNOFSA-N 1 2 329.444 3.579 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958820 1024859150 /nfs/dbraw/zinc/85/91/50/1024859150.db2.gz KVLJQUBNIBBFRM-OALUTQOASA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958820 1024859173 /nfs/dbraw/zinc/85/91/73/1024859173.db2.gz KVLJQUBNIBBFRM-OALUTQOASA-N 1 2 342.487 3.683 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000895827535 1024862946 /nfs/dbraw/zinc/86/29/46/1024862946.db2.gz MMWJPVNFQMUEAW-UHFFFAOYSA-N 1 2 335.391 3.931 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000514941876 1024915189 /nfs/dbraw/zinc/91/51/89/1024915189.db2.gz JUBDORVBGJJCST-NWDGAFQWSA-N 1 2 325.334 3.730 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000514950309 1024926329 /nfs/dbraw/zinc/92/63/29/1024926329.db2.gz NIQPUAIPJBFDLZ-WMZOPIPTSA-N 1 2 333.435 3.736 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@@H]1CCn4cc[nH+]c4C1)(C2)C3 ZINC000427993249 1024928037 /nfs/dbraw/zinc/92/80/37/1024928037.db2.gz NZGRYHRPGBETJL-HKOIMECGSA-N 1 2 341.499 3.701 20 0 EHADLO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000157509381 1024929927 /nfs/dbraw/zinc/92/99/27/1024929927.db2.gz QQBLSAMUBXESHY-OAHLLOKOSA-N 1 2 346.862 3.661 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000157548451 1024937595 /nfs/dbraw/zinc/93/75/95/1024937595.db2.gz ZHDQPJILQPVHQU-MRXNPFEDSA-N 1 2 338.455 3.541 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1F ZINC000346611245 1024953788 /nfs/dbraw/zinc/95/37/88/1024953788.db2.gz RIWIJQZLBWKECC-UHFFFAOYSA-N 1 2 346.471 3.683 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1F ZINC000346611245 1024953796 /nfs/dbraw/zinc/95/37/96/1024953796.db2.gz RIWIJQZLBWKECC-UHFFFAOYSA-N 1 2 346.471 3.683 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602898737 1033250015 /nfs/dbraw/zinc/25/00/15/1033250015.db2.gz NGDSRZNDFDDJJO-QGZVFWFLSA-N 1 2 339.439 3.769 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602898737 1033250027 /nfs/dbraw/zinc/25/00/27/1033250027.db2.gz NGDSRZNDFDDJJO-QGZVFWFLSA-N 1 2 339.439 3.769 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC000277405443 1024989351 /nfs/dbraw/zinc/98/93/51/1024989351.db2.gz LDQILJBCEITYCI-IUCAKERBSA-N 1 2 343.294 3.993 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653862 1024988505 /nfs/dbraw/zinc/98/85/05/1024988505.db2.gz QQWZICBOURGZTA-RBUKOAKNSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653862 1024988517 /nfs/dbraw/zinc/98/85/17/1024988517.db2.gz QQWZICBOURGZTA-RBUKOAKNSA-N 1 2 344.405 3.807 20 0 EHADLO FC(F)n1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000346671295 1025006590 /nfs/dbraw/zinc/00/65/90/1025006590.db2.gz PSRFTPCCCPQMBP-ZDUSSCGKSA-N 1 2 327.762 3.935 20 0 EHADLO CCCCn1nccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342348558 1025013927 /nfs/dbraw/zinc/01/39/27/1025013927.db2.gz YCAWOJKPHIQKBT-INIZCTEOSA-N 1 2 337.427 3.567 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000897945260 1033254895 /nfs/dbraw/zinc/25/48/95/1033254895.db2.gz ZJBWCICWEDKISP-UHFFFAOYSA-N 1 2 328.391 3.791 20 0 EHADLO CCC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508305181 1025023428 /nfs/dbraw/zinc/02/34/28/1025023428.db2.gz YGVQITWKYYKTCG-IRXDYDNUSA-N 1 2 332.488 3.554 20 0 EHADLO CCC[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508305181 1025023439 /nfs/dbraw/zinc/02/34/39/1025023439.db2.gz YGVQITWKYYKTCG-IRXDYDNUSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000277418506 1025030418 /nfs/dbraw/zinc/03/04/18/1025030418.db2.gz MKTRRBQPEMAMBQ-OLZOCXBDSA-N 1 2 332.448 3.576 20 0 EHADLO CCSc1ccccc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000346728126 1025042897 /nfs/dbraw/zinc/04/28/97/1025042897.db2.gz AUNVWVZFYJFCIB-AWEZNQCLSA-N 1 2 339.468 3.625 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3nc(C(C)(C)C)co3)[C@H]2C(C)C)C1 ZINC000895987360 1025045180 /nfs/dbraw/zinc/04/51/80/1025045180.db2.gz DSJJQKMRWIMGHE-INIZCTEOSA-N 1 2 336.476 3.582 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3nc(C(C)(C)C)co3)[C@H]2C(C)C)C1 ZINC000895987360 1025045196 /nfs/dbraw/zinc/04/51/96/1025045196.db2.gz DSJJQKMRWIMGHE-INIZCTEOSA-N 1 2 336.476 3.582 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548652911 1025049589 /nfs/dbraw/zinc/04/95/89/1025049589.db2.gz OGEQPKCUMMUOLC-PKOBYXMFSA-N 1 2 340.471 3.675 20 0 EHADLO CCCOc1cc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000277431801 1025077811 /nfs/dbraw/zinc/07/78/11/1025077811.db2.gz NODAQXSCYWAKDN-ZIAGYGMSSA-N 1 2 346.475 3.966 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)CO1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000896020101 1025081335 /nfs/dbraw/zinc/08/13/35/1025081335.db2.gz MBGGYDQBTIJRML-MRXNPFEDSA-N 1 2 325.412 3.755 20 0 EHADLO c1coc([C@H](CNCc2csc(C3CC3)n2)[NH+]2CCCCC2)c1 ZINC000113313121 1025145557 /nfs/dbraw/zinc/14/55/57/1025145557.db2.gz PMCVCGHFSZQINL-INIZCTEOSA-N 1 2 331.485 3.930 20 0 EHADLO CC(=O)c1csc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000106749370 1025147484 /nfs/dbraw/zinc/14/74/84/1025147484.db2.gz HDQZVLIVKPNHQW-UHFFFAOYSA-N 1 2 349.481 3.645 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](c3ccncc3)C3CCCC3)ccc2[nH+]1 ZINC000896095437 1025150386 /nfs/dbraw/zinc/15/03/86/1025150386.db2.gz WALMFGDVEPCZIA-LJQANCHMSA-N 1 2 334.423 3.950 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000435862281 1025183897 /nfs/dbraw/zinc/18/38/97/1025183897.db2.gz YNEVZOUOCJHHLT-GOSISDBHSA-N 1 2 344.503 3.650 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963520 1025186632 /nfs/dbraw/zinc/18/66/32/1025186632.db2.gz YETAIIYGLXCKQC-UHFFFAOYSA-N 1 2 344.499 3.920 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963520 1025186638 /nfs/dbraw/zinc/18/66/38/1025186638.db2.gz YETAIIYGLXCKQC-UHFFFAOYSA-N 1 2 344.499 3.920 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccccc2)no1 ZINC000521109741 1025215838 /nfs/dbraw/zinc/21/58/38/1025215838.db2.gz ISUXTHKEDDPWMG-UHFFFAOYSA-N 1 2 326.306 3.721 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000281560455 1025230272 /nfs/dbraw/zinc/23/02/72/1025230272.db2.gz LDXBDXMCJHNUPC-AQNXPRMDSA-N 1 2 337.467 3.538 20 0 EHADLO O=c1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH]1 ZINC000639471235 1025240471 /nfs/dbraw/zinc/24/04/71/1025240471.db2.gz CAMWHLLYCOKDSG-OAHLLOKOSA-N 1 2 339.222 3.668 20 0 EHADLO O=c1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH]1 ZINC000639471235 1025240478 /nfs/dbraw/zinc/24/04/78/1025240478.db2.gz CAMWHLLYCOKDSG-OAHLLOKOSA-N 1 2 339.222 3.668 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342411012 1025250496 /nfs/dbraw/zinc/25/04/96/1025250496.db2.gz FOSVWVIFWYXJAH-UHFFFAOYSA-N 1 2 339.826 3.888 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CC2CCC1CC2 ZINC000563247543 1025260585 /nfs/dbraw/zinc/26/05/85/1025260585.db2.gz GZJJCQPOROPJKZ-VXTDNTOSSA-N 1 2 330.476 3.514 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000896227413 1025262121 /nfs/dbraw/zinc/26/21/21/1025262121.db2.gz NKGFRIINBVMLIP-GFCCVEGCSA-N 1 2 325.252 3.537 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000896227413 1025262132 /nfs/dbraw/zinc/26/21/32/1025262132.db2.gz NKGFRIINBVMLIP-GFCCVEGCSA-N 1 2 325.252 3.537 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521229647 1025274099 /nfs/dbraw/zinc/27/40/99/1025274099.db2.gz OFUKOCFNKXYAFC-LMMKCTJWSA-N 1 2 346.540 3.719 20 0 EHADLO O=C(Nc1ccc(-c2ncco2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000346904776 1025285012 /nfs/dbraw/zinc/28/50/12/1025285012.db2.gz YZQBRQUQYXQBTL-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759113676 1025319259 /nfs/dbraw/zinc/31/92/59/1025319259.db2.gz OESWWTDWLTUEQU-MEDUHNTESA-N 1 2 325.239 3.905 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759113676 1025319266 /nfs/dbraw/zinc/31/92/66/1025319266.db2.gz OESWWTDWLTUEQU-MEDUHNTESA-N 1 2 325.239 3.905 20 0 EHADLO CCC1CCC(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000469745040 1025363473 /nfs/dbraw/zinc/36/34/73/1025363473.db2.gz OEZADDQLHCQXBR-FCCDEINASA-N 1 2 332.492 3.692 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000346972168 1025368724 /nfs/dbraw/zinc/36/87/24/1025368724.db2.gz RZNMNCYUYOFZBT-QWRGUYRKSA-N 1 2 335.249 3.608 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000442688537 1025424292 /nfs/dbraw/zinc/42/42/92/1025424292.db2.gz LXOFOYSGPUFJFS-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1cncc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000442688537 1025424305 /nfs/dbraw/zinc/42/43/05/1025424305.db2.gz LXOFOYSGPUFJFS-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031702 1025437383 /nfs/dbraw/zinc/43/73/83/1025437383.db2.gz FFWNQMTWLBTOAQ-GUYCJALGSA-N 1 2 345.443 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031702 1025437393 /nfs/dbraw/zinc/43/73/93/1025437393.db2.gz FFWNQMTWLBTOAQ-GUYCJALGSA-N 1 2 345.443 3.685 20 0 EHADLO COc1ccncc1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000347053929 1025449448 /nfs/dbraw/zinc/44/94/48/1025449448.db2.gz LJHILQDIDFQFEX-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)[nH]1 ZINC000281762463 1025451449 /nfs/dbraw/zinc/45/14/49/1025451449.db2.gz WKMQILNREXEHRZ-FIXISWKDSA-N 1 2 332.423 3.804 20 0 EHADLO c1cn([C@@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)nn1 ZINC000425503597 1025518894 /nfs/dbraw/zinc/51/88/94/1025518894.db2.gz JJWSUIYSRJJFNC-OAHLLOKOSA-N 1 2 331.489 3.619 20 0 EHADLO c1cn([C@@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)nn1 ZINC000425503597 1025518907 /nfs/dbraw/zinc/51/89/07/1025518907.db2.gz JJWSUIYSRJJFNC-OAHLLOKOSA-N 1 2 331.489 3.619 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(N3CCCCC3)cc2)no1)n1cc[nH+]c1 ZINC000521631934 1025535010 /nfs/dbraw/zinc/53/50/10/1025535010.db2.gz ORAGMFCHWWZOKD-HNNXBMFYSA-N 1 2 337.427 3.727 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC000515736043 1025547946 /nfs/dbraw/zinc/54/79/46/1025547946.db2.gz OHDLBZLVEZGZBX-KKUMJFAQSA-N 1 2 346.421 3.924 20 0 EHADLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)c1cccc(OC)c1 ZINC000582190362 1025553145 /nfs/dbraw/zinc/55/31/45/1025553145.db2.gz RWUHFBXXCDWMGK-HNNXBMFYSA-N 1 2 337.423 3.875 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898019753 1033290932 /nfs/dbraw/zinc/29/09/32/1033290932.db2.gz RRSZCBAAAIKURC-UHFFFAOYSA-N 1 2 329.366 3.928 20 0 EHADLO COc1ccncc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000347135490 1025581969 /nfs/dbraw/zinc/58/19/69/1025581969.db2.gz UJBYCJICNPBYAO-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccncc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000347135490 1025581974 /nfs/dbraw/zinc/58/19/74/1025581974.db2.gz UJBYCJICNPBYAO-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO CCSCCCc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000347169468 1025609424 /nfs/dbraw/zinc/60/94/24/1025609424.db2.gz YVROFRVZSUFGBK-UHFFFAOYSA-N 1 2 328.441 3.916 20 0 EHADLO FC(F)(F)c1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)[nH]n1 ZINC000443069458 1025686260 /nfs/dbraw/zinc/68/62/60/1025686260.db2.gz OWOWTZQULCGUPT-UHFFFAOYSA-N 1 2 327.325 3.889 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000515860766 1025687337 /nfs/dbraw/zinc/68/73/37/1025687337.db2.gz MQJVOWZLTOWCKV-IHRRRGAJSA-N 1 2 343.393 3.900 20 0 EHADLO COc1cccc2c1CC[C@H]2NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000347238514 1025708330 /nfs/dbraw/zinc/70/83/30/1025708330.db2.gz RJESPQIRJNTDFI-GOSISDBHSA-N 1 2 347.418 3.607 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@H]4C[C@H]4c4ccccc4)no3)c2)c[nH+]1 ZINC000347241964 1025716142 /nfs/dbraw/zinc/71/61/42/1025716142.db2.gz KAHVDXVYYYXSHS-HOTGVXAUSA-N 1 2 329.363 3.588 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCn1cc(Br)cn1 ZINC000348075058 1025718532 /nfs/dbraw/zinc/71/85/32/1025718532.db2.gz FIZLSMPYDCRYMU-JTQLQIEISA-N 1 2 344.203 3.617 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc(Br)cn1 ZINC000348075058 1025718552 /nfs/dbraw/zinc/71/85/52/1025718552.db2.gz FIZLSMPYDCRYMU-JTQLQIEISA-N 1 2 344.203 3.617 20 0 EHADLO CC(C)c1csc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000582269949 1025720891 /nfs/dbraw/zinc/72/08/91/1025720891.db2.gz ARKTYMODKIJVGC-UHFFFAOYSA-N 1 2 340.452 3.693 20 0 EHADLO Cc1ccccc1CCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315955 1025723928 /nfs/dbraw/zinc/72/39/28/1025723928.db2.gz YNAWKCSTOVKUMI-HXUWFJFHSA-N 1 2 347.462 3.761 20 0 EHADLO COCC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccn1 ZINC000347252295 1025730225 /nfs/dbraw/zinc/73/02/25/1025730225.db2.gz DABXVCFOISKSLJ-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO COCC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccn1 ZINC000347252295 1025730245 /nfs/dbraw/zinc/73/02/45/1025730245.db2.gz DABXVCFOISKSLJ-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451269948 1025738530 /nfs/dbraw/zinc/73/85/30/1025738530.db2.gz UAKACLIGGUTPFN-FRIZHTMISA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451269948 1025738542 /nfs/dbraw/zinc/73/85/42/1025738542.db2.gz UAKACLIGGUTPFN-FRIZHTMISA-N 1 2 335.369 3.826 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(C(C)(C)C)[nH]n1)c1ccc(Cl)cc1 ZINC000655391246 1025743575 /nfs/dbraw/zinc/74/35/75/1025743575.db2.gz GUNVOBVSYUOQQV-OAHLLOKOSA-N 1 2 334.851 3.602 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081317134 1025748964 /nfs/dbraw/zinc/74/89/64/1025748964.db2.gz GYDNCNXQVSUVMS-YLJYHZDGSA-N 1 2 347.462 3.932 20 0 EHADLO COC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425566606 1025768061 /nfs/dbraw/zinc/76/80/61/1025768061.db2.gz HVSIQSKGRSIEIN-CABCVRRESA-N 1 2 341.455 3.744 20 0 EHADLO C[C@@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)CC(C)(C)C ZINC000443168448 1025776793 /nfs/dbraw/zinc/77/67/93/1025776793.db2.gz OMDCZIREICHBJV-RDJZCZTQSA-N 1 2 333.476 3.707 20 0 EHADLO COCCC[C@@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425568814 1025792226 /nfs/dbraw/zinc/79/22/26/1025792226.db2.gz JSBWGBQASXLAAS-OAHLLOKOSA-N 1 2 341.455 3.888 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc(-c3ccc(Cl)s3)nn1)C2 ZINC000896653640 1025807596 /nfs/dbraw/zinc/80/75/96/1025807596.db2.gz IHIBKWILDSTRFN-UHFFFAOYSA-N 1 2 345.859 3.638 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc3c(cc(Cl)cc3F)s1)C2 ZINC000896653026 1025809488 /nfs/dbraw/zinc/80/94/88/1025809488.db2.gz HEAJZLLMXNWBSJ-UHFFFAOYSA-N 1 2 336.823 3.868 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657392737 1025867924 /nfs/dbraw/zinc/86/79/24/1025867924.db2.gz ASLKXFYHUFTVPO-HNNXBMFYSA-N 1 2 328.460 3.779 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000121804776 1025880881 /nfs/dbraw/zinc/88/08/81/1025880881.db2.gz ZVRHHCKCERKRDG-OAQYLSRUSA-N 1 2 345.446 3.741 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000505848378 1025883264 /nfs/dbraw/zinc/88/32/64/1025883264.db2.gz RAJYUHVXAFBQAU-UHFFFAOYSA-N 1 2 336.414 3.538 20 0 EHADLO CC(C)c1cccc(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000508444665 1025891829 /nfs/dbraw/zinc/89/18/29/1025891829.db2.gz XNKHRMRJHDCLPB-VQIMIIECSA-N 1 2 337.467 3.940 20 0 EHADLO CCc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)sc1C ZINC000582339985 1025897516 /nfs/dbraw/zinc/89/75/16/1025897516.db2.gz LWRHAMYKRCFJEH-ZIAGYGMSSA-N 1 2 333.457 3.595 20 0 EHADLO CCc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)sc1C ZINC000582339985 1025897535 /nfs/dbraw/zinc/89/75/35/1025897535.db2.gz LWRHAMYKRCFJEH-ZIAGYGMSSA-N 1 2 333.457 3.595 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)cc1Br ZINC000044296682 1025900523 /nfs/dbraw/zinc/90/05/23/1025900523.db2.gz FWKHFGHGLVCYTK-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(F)cc1Br ZINC001141910151 1025933955 /nfs/dbraw/zinc/93/39/55/1025933955.db2.gz KHHBJYXIIVYOHL-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(F)cc1Br ZINC001141910151 1025933968 /nfs/dbraw/zinc/93/39/68/1025933968.db2.gz KHHBJYXIIVYOHL-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1Cl ZINC000216519619 1025947710 /nfs/dbraw/zinc/94/77/10/1025947710.db2.gz RUAAEPDTCCIXJN-OAHLLOKOSA-N 1 2 342.870 3.745 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1Cl ZINC000216519619 1025947720 /nfs/dbraw/zinc/94/77/20/1025947720.db2.gz RUAAEPDTCCIXJN-OAHLLOKOSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000522089435 1025949708 /nfs/dbraw/zinc/94/97/08/1025949708.db2.gz MDUWZZUVMYFWEK-OAHLLOKOSA-N 1 2 342.443 3.917 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccn2[C@H](C)Cc2ccccc2)[nH+]c1C ZINC000896912859 1025961213 /nfs/dbraw/zinc/96/12/13/1025961213.db2.gz IXRYQAJXTHWMCJ-CQSZACIVSA-N 1 2 336.439 3.562 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(F)cc1Br ZINC001141910800 1025961660 /nfs/dbraw/zinc/96/16/60/1025961660.db2.gz XMGGOEYPEYHTCM-BONVTDFDSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(F)cc1Br ZINC001141910800 1025961673 /nfs/dbraw/zinc/96/16/73/1025961673.db2.gz XMGGOEYPEYHTCM-BONVTDFDSA-N 1 2 346.215 3.728 20 0 EHADLO C[C@@H](c1nc(CCc2ccccc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000191172707 1025970929 /nfs/dbraw/zinc/97/09/29/1025970929.db2.gz BCKIOHFRXKGWNU-INIZCTEOSA-N 1 2 333.435 3.974 20 0 EHADLO C[C@@H](c1nc(CCc2ccccc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000191172707 1025970939 /nfs/dbraw/zinc/97/09/39/1025970939.db2.gz BCKIOHFRXKGWNU-INIZCTEOSA-N 1 2 333.435 3.974 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCc2csc3ccccc23)[nH+]c1C ZINC000896916609 1025988663 /nfs/dbraw/zinc/98/86/63/1025988663.db2.gz FHZLLVXLFBTSKF-UHFFFAOYSA-N 1 2 327.453 3.880 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000304077642 1025989746 /nfs/dbraw/zinc/98/97/46/1025989746.db2.gz XPQYJNKOYRAQQC-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000304077642 1025989756 /nfs/dbraw/zinc/98/97/56/1025989756.db2.gz XPQYJNKOYRAQQC-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO CC(C)(C)OCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000475065372 1025992535 /nfs/dbraw/zinc/99/25/35/1025992535.db2.gz QSYXSEKCCXFUHX-QGZVFWFLSA-N 1 2 327.415 3.933 20 0 EHADLO CC(C)(C)OCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000475065372 1025992547 /nfs/dbraw/zinc/99/25/47/1025992547.db2.gz QSYXSEKCCXFUHX-QGZVFWFLSA-N 1 2 327.415 3.933 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC(C)(C)C2)c(C)n1Cc1ccco1 ZINC000444274118 1025996202 /nfs/dbraw/zinc/99/62/02/1025996202.db2.gz XVGVJTUWFIQDLE-UHFFFAOYSA-N 1 2 346.496 3.756 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC(C)(C)C2)c(C)n1Cc1ccco1 ZINC000444274118 1025996214 /nfs/dbraw/zinc/99/62/14/1025996214.db2.gz XVGVJTUWFIQDLE-UHFFFAOYSA-N 1 2 346.496 3.756 20 0 EHADLO CSc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(Cl)cc1Cl ZINC000896916795 1025998754 /nfs/dbraw/zinc/99/87/54/1025998754.db2.gz IVMMCIHTVGKKGI-UHFFFAOYSA-N 1 2 344.267 3.985 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCCc3ccccn3)c12 ZINC000443412061 1026013560 /nfs/dbraw/zinc/01/35/60/1026013560.db2.gz YUZNQWQOZMCNLW-UHFFFAOYSA-N 1 2 346.203 3.608 20 0 EHADLO Cc1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc[nH+]1 ZINC000522144085 1026022130 /nfs/dbraw/zinc/02/21/30/1026022130.db2.gz CMVUWXQWSIHOAA-UHFFFAOYSA-N 1 2 338.388 3.512 20 0 EHADLO CC(C)c1scnc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000582386170 1026055971 /nfs/dbraw/zinc/05/59/71/1026055971.db2.gz NHGFRHCGWBSLBE-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO FC(F)(F)C1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCC1 ZINC000516150915 1026058611 /nfs/dbraw/zinc/05/86/11/1026058611.db2.gz KSIRQCLTCUXFNP-UHFFFAOYSA-N 1 2 334.301 3.906 20 0 EHADLO ClC1(Cl)C[C@H]1c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000896812537 1026059804 /nfs/dbraw/zinc/05/98/04/1026059804.db2.gz ZORREOLSCZKOLD-ZDUSSCGKSA-N 1 2 349.221 3.566 20 0 EHADLO FC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cnns2)CC1 ZINC000451524215 1026076914 /nfs/dbraw/zinc/07/69/14/1026076914.db2.gz BZAVNKSNVACEBV-UHFFFAOYSA-N 1 2 325.840 3.738 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000511109672 1026079989 /nfs/dbraw/zinc/07/99/89/1026079989.db2.gz OSWGLCLICOEGHI-IBGZPJMESA-N 1 2 347.409 3.807 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2ncnc3sc4c(c32)CCC4)[nH+]c1C ZINC000895191935 1026084981 /nfs/dbraw/zinc/08/49/81/1026084981.db2.gz CWQWEFPMZDNKOK-ZDUSSCGKSA-N 1 2 339.468 3.861 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000516203418 1026117044 /nfs/dbraw/zinc/11/70/44/1026117044.db2.gz KEXXLWPTNNDOFK-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO CSCC1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000896940617 1026129688 /nfs/dbraw/zinc/12/96/88/1026129688.db2.gz ILSXNEPJZAEYNM-UHFFFAOYSA-N 1 2 333.270 3.558 20 0 EHADLO CCCCCCOCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374458196 1026137082 /nfs/dbraw/zinc/13/70/82/1026137082.db2.gz YNVOMCSVQTYNPF-KRWDZBQOSA-N 1 2 347.503 3.522 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CC34CCCC4)n2)c1 ZINC000530634000 1026141556 /nfs/dbraw/zinc/14/15/56/1026141556.db2.gz HDUCJVJBXZXVRS-KRWDZBQOSA-N 1 2 339.439 3.617 20 0 EHADLO CSc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000451685846 1026227112 /nfs/dbraw/zinc/22/71/12/1026227112.db2.gz CSZHHWLFPMOCTG-KRWDZBQOSA-N 1 2 346.883 3.849 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475138564 1026230418 /nfs/dbraw/zinc/23/04/18/1026230418.db2.gz LPEYRMCGCUSLNX-CVEARBPZSA-N 1 2 328.460 3.738 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000475146422 1026240494 /nfs/dbraw/zinc/24/04/94/1026240494.db2.gz OFXBZVKOERVNIV-DNVCBOLYSA-N 1 2 329.415 3.521 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCc3ccccc32)s1 ZINC000122109529 1026241722 /nfs/dbraw/zinc/24/17/22/1026241722.db2.gz AOZYWWHZKIHFFX-AWEZNQCLSA-N 1 2 343.496 3.596 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCc3ccccc32)s1 ZINC000122109529 1026241733 /nfs/dbraw/zinc/24/17/33/1026241733.db2.gz AOZYWWHZKIHFFX-AWEZNQCLSA-N 1 2 343.496 3.596 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CCCC(=O)OC(C)(C)C)c(C)n1C1CC1 ZINC000530778290 1026287206 /nfs/dbraw/zinc/28/72/06/1026287206.db2.gz RGQXIPVTHBFFBF-UHFFFAOYSA-N 1 2 348.487 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C)c(C)n1C1CC1 ZINC000530778290 1026287216 /nfs/dbraw/zinc/28/72/16/1026287216.db2.gz RGQXIPVTHBFFBF-UHFFFAOYSA-N 1 2 348.487 3.676 20 0 EHADLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000051688933 1026295714 /nfs/dbraw/zinc/29/57/14/1026295714.db2.gz DSOFHTYGBCQPHT-HXUWFJFHSA-N 1 2 340.398 3.540 20 0 EHADLO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000051688933 1026295728 /nfs/dbraw/zinc/29/57/28/1026295728.db2.gz DSOFHTYGBCQPHT-HXUWFJFHSA-N 1 2 340.398 3.540 20 0 EHADLO NC(=O)[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000122210151 1026320969 /nfs/dbraw/zinc/32/09/69/1026320969.db2.gz JZLODEJQLBMVRT-GOEBONIOSA-N 1 2 332.856 3.693 20 0 EHADLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cscc2Cl)C1 ZINC000828044389 1026339291 /nfs/dbraw/zinc/33/92/91/1026339291.db2.gz PSHDGTBXVZAXBD-UHFFFAOYSA-N 1 2 346.843 3.620 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897105622 1026366099 /nfs/dbraw/zinc/36/60/99/1026366099.db2.gz CRPRKPLOPAMNEL-HOTGVXAUSA-N 1 2 327.428 3.537 20 0 EHADLO COc1cccc2c(N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)cc[nH+]c12 ZINC000193482001 1026403590 /nfs/dbraw/zinc/40/35/90/1026403590.db2.gz RZHRWHBTLRZOHW-LBPRGKRZSA-N 1 2 349.390 3.747 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641607 1026417733 /nfs/dbraw/zinc/41/77/33/1026417733.db2.gz CCPHXPKFVPHZKN-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641607 1026417737 /nfs/dbraw/zinc/41/77/37/1026417737.db2.gz CCPHXPKFVPHZKN-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(OC)ccn1 ZINC000451978899 1026417979 /nfs/dbraw/zinc/41/79/79/1026417979.db2.gz PUVADNYKWIUSOH-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(OC)ccn1 ZINC000451978899 1026417983 /nfs/dbraw/zinc/41/79/83/1026417983.db2.gz PUVADNYKWIUSOH-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1csc(C)n1 ZINC000158979923 1026427447 /nfs/dbraw/zinc/42/74/47/1026427447.db2.gz ZWQDGXJRYVXPSV-UHFFFAOYSA-N 1 2 330.457 3.840 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C2CC2)O1 ZINC000475296411 1026448320 /nfs/dbraw/zinc/44/83/20/1026448320.db2.gz USPRKRGPOASPRN-ZBEGNZNMSA-N 1 2 347.352 3.766 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C2CC2)O1 ZINC000475296411 1026448327 /nfs/dbraw/zinc/44/83/27/1026448327.db2.gz USPRKRGPOASPRN-ZBEGNZNMSA-N 1 2 347.352 3.766 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452063395 1026457355 /nfs/dbraw/zinc/45/73/55/1026457355.db2.gz WOGADUDTVYQOQI-QGZVFWFLSA-N 1 2 349.500 3.713 20 0 EHADLO COc1cccc2c(N[C@@H](CO)Cc3c[nH]c4ccccc34)cc[nH+]c12 ZINC000193483976 1026466100 /nfs/dbraw/zinc/46/61/00/1026466100.db2.gz LTJWQOUKWDNLIG-OAHLLOKOSA-N 1 2 347.418 3.740 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)c1 ZINC000475347477 1026504128 /nfs/dbraw/zinc/50/41/28/1026504128.db2.gz RYHAWYAQLGHGJQ-IAGOWNOFSA-N 1 2 346.515 3.973 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCC[C@H](NC2CC2)C(F)(F)F)c1 ZINC000897229542 1026530964 /nfs/dbraw/zinc/53/09/64/1026530964.db2.gz UVKPTQFAHLCIMH-JTQLQIEISA-N 1 2 327.272 3.585 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000684906847 1026534243 /nfs/dbraw/zinc/53/42/43/1026534243.db2.gz ZNGNVEQCHYUAMX-MRXNPFEDSA-N 1 2 347.503 3.614 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C ZINC000475413696 1026588264 /nfs/dbraw/zinc/58/82/64/1026588264.db2.gz XODMQNIVBOGVPH-CZUORRHYSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C ZINC000475413696 1026588271 /nfs/dbraw/zinc/58/82/71/1026588271.db2.gz XODMQNIVBOGVPH-CZUORRHYSA-N 1 2 336.501 3.822 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697628 1026599718 /nfs/dbraw/zinc/59/97/18/1026599718.db2.gz REXURAPHAZETOZ-VOIUYBSRSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697628 1026599728 /nfs/dbraw/zinc/59/97/28/1026599728.db2.gz REXURAPHAZETOZ-VOIUYBSRSA-N 1 2 344.480 3.525 20 0 EHADLO C[C@H](CC(=O)Nc1c[nH+]c2n1CCCC2)C(=O)c1ccc(Cl)cc1 ZINC000452331147 1026662592 /nfs/dbraw/zinc/66/25/92/1026662592.db2.gz CHBXUPRMGZSWGK-GFCCVEGCSA-N 1 2 345.830 3.720 20 0 EHADLO O=C(CCc1ccccc1Br)Nc1c[nH+]c2n1CCCC2 ZINC000452333544 1026666395 /nfs/dbraw/zinc/66/63/95/1026666395.db2.gz JSRBMHIIUBMIFI-UHFFFAOYSA-N 1 2 348.244 3.553 20 0 EHADLO CCCc1nc(C)c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)s1 ZINC000582582950 1026668692 /nfs/dbraw/zinc/66/86/92/1026668692.db2.gz XQZPVZKNFVBVHY-UHFFFAOYSA-N 1 2 347.488 3.601 20 0 EHADLO CC1(c2cc[nH+]c(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)OCCO1 ZINC001168065759 1026754516 /nfs/dbraw/zinc/75/45/16/1026754516.db2.gz LLMGZVWZHLURGO-XJKSGUPXSA-N 1 2 332.350 3.547 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)nc(C(C)C)[nH+]1 ZINC000301304195 1026756302 /nfs/dbraw/zinc/75/63/02/1026756302.db2.gz XGDNJDMQBFXZST-HNNXBMFYSA-N 1 2 325.412 3.979 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@H](COC)C1 ZINC000301366017 1026777181 /nfs/dbraw/zinc/77/71/81/1026777181.db2.gz QYVXXIUGRULUQR-HNNXBMFYSA-N 1 2 342.439 3.583 20 0 EHADLO CC(C)C[C@@]1(C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452510292 1026784741 /nfs/dbraw/zinc/78/47/41/1026784741.db2.gz MRCSYQXCXAKUSF-OAQYLSRUSA-N 1 2 339.483 3.901 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000133117911 1026794129 /nfs/dbraw/zinc/79/41/29/1026794129.db2.gz GTYIPCFWBUWGGH-CQSZACIVSA-N 1 2 331.803 3.729 20 0 EHADLO Cc1ccc([C@@H](CNc2ccc(Cl)cn2)[NH+]2CCOCC2)cc1 ZINC000301450439 1026811739 /nfs/dbraw/zinc/81/17/39/1026811739.db2.gz PVUORZRMWHSTEL-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO c1csc(-c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)cc2)c1 ZINC000657504974 1026814885 /nfs/dbraw/zinc/81/48/85/1026814885.db2.gz LLYGEXKVWSQVHM-OAHLLOKOSA-N 1 2 340.452 3.675 20 0 EHADLO CCc1nc(Cl)c(C)c(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000301488970 1026826041 /nfs/dbraw/zinc/82/60/41/1026826041.db2.gz KEKYSCKOIXLNPE-UHFFFAOYSA-N 1 2 345.878 3.998 20 0 EHADLO c1nc(N2CCC(OCC3CCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000301581141 1026861735 /nfs/dbraw/zinc/86/17/35/1026861735.db2.gz PNCHGTHBRISYPA-UHFFFAOYSA-N 1 2 344.503 3.643 20 0 EHADLO c1nc(N2CCCCC2)cc(N2CCC(OCC3CCCC3)CC2)[nH+]1 ZINC000301581141 1026861740 /nfs/dbraw/zinc/86/17/40/1026861740.db2.gz PNCHGTHBRISYPA-UHFFFAOYSA-N 1 2 344.503 3.643 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4cccnc43)c[nH+]2)C[C@@H](C)O1 ZINC000684962101 1026867932 /nfs/dbraw/zinc/86/79/32/1026867932.db2.gz RFFFYSBPPJBTEY-RKVPGOIHSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4cccnc43)c[nH+]2)C[C@H](C)O1 ZINC000684962096 1026868247 /nfs/dbraw/zinc/86/82/47/1026868247.db2.gz RFFFYSBPPJBTEY-DAYGRLMNSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@@H](Cc1nnc(SCc2cc[nH+]c(N)c2)o1)c1ccccc1 ZINC000193064582 1026878373 /nfs/dbraw/zinc/87/83/73/1026878373.db2.gz JLXXMMLJWIJZJN-LBPRGKRZSA-N 1 2 326.425 3.685 20 0 EHADLO Cc1cc(N[C@H](CN2CCCC2=O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301660542 1026892435 /nfs/dbraw/zinc/89/24/35/1026892435.db2.gz MNEOSNDGIANFIM-QGZVFWFLSA-N 1 2 338.455 3.684 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCCC23CC3)c1)[NH+]1CCOCC1 ZINC000639648858 1026894365 /nfs/dbraw/zinc/89/43/65/1026894365.db2.gz OWPIZMBJOZFDFR-CRAIPNDOSA-N 1 2 343.471 3.534 20 0 EHADLO Cc1nc(N2CC[C@H](OCCCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671301 1026895070 /nfs/dbraw/zinc/89/50/70/1026895070.db2.gz OKVKHZZBWQVSLY-IBGZPJMESA-N 1 2 325.456 3.630 20 0 EHADLO Cc1nc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c(C)c(C)[nH+]1 ZINC000301714752 1026912960 /nfs/dbraw/zinc/91/29/60/1026912960.db2.gz ZPLNDUNXRPMXBX-AWEZNQCLSA-N 1 2 346.425 3.563 20 0 EHADLO Cc1ccc(C(=O)C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000301797283 1026940990 /nfs/dbraw/zinc/94/09/90/1026940990.db2.gz UHJVPKQMPZBNTG-UHFFFAOYSA-N 1 2 346.434 3.620 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1ncccc1F ZINC000301796380 1026941472 /nfs/dbraw/zinc/94/14/72/1026941472.db2.gz QDIMQDMRUCGUNL-UHFFFAOYSA-N 1 2 339.370 3.866 20 0 EHADLO CC(C)CC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000666003790 1026953345 /nfs/dbraw/zinc/95/33/45/1026953345.db2.gz LHPVSZIVURLZPA-INIZCTEOSA-N 1 2 345.487 3.780 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cnn(Cc2ccccc2)c1 ZINC000301832633 1026956917 /nfs/dbraw/zinc/95/69/17/1026956917.db2.gz RNMPWLNHLYLINW-OAHLLOKOSA-N 1 2 348.454 3.716 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000301832633 1026956922 /nfs/dbraw/zinc/95/69/22/1026956922.db2.gz RNMPWLNHLYLINW-OAHLLOKOSA-N 1 2 348.454 3.716 20 0 EHADLO Brc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)s1 ZINC000301842002 1026960991 /nfs/dbraw/zinc/96/09/91/1026960991.db2.gz ZIZGCPHRMUERGM-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO Brc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)s1 ZINC000301842002 1026960998 /nfs/dbraw/zinc/96/09/98/1026960998.db2.gz ZIZGCPHRMUERGM-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c(C)n1C ZINC000531493211 1026970081 /nfs/dbraw/zinc/97/00/81/1026970081.db2.gz GPINTBPCBUHVMC-SFHVURJKSA-N 1 2 328.481 3.615 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)c(C)n1C ZINC000531493211 1026970090 /nfs/dbraw/zinc/97/00/90/1026970090.db2.gz GPINTBPCBUHVMC-SFHVURJKSA-N 1 2 328.481 3.615 20 0 EHADLO Nc1nc(NCc2ccc(Br)cc2)[nH+]c2ccccc12 ZINC000301873216 1026975194 /nfs/dbraw/zinc/97/51/94/1026975194.db2.gz JKLOSZBYAPVSDK-UHFFFAOYSA-N 1 2 329.201 3.587 20 0 EHADLO CCCOc1ccc2c(c1)CCN(c1nc(N)c3ccccc3[nH+]1)C2 ZINC000301883817 1026977945 /nfs/dbraw/zinc/97/79/45/1026977945.db2.gz JDSBOMZYOOOJNJ-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO CC[C@@H](c1noc(Cn2cc[nH+]c2)n1)c1ccc(Br)cc1 ZINC000277806320 1026994955 /nfs/dbraw/zinc/99/49/55/1026994955.db2.gz GTLFUTDFAYCZPA-CYBMUJFWSA-N 1 2 347.216 3.619 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CCC1(F)F ZINC000582718347 1027028900 /nfs/dbraw/zinc/02/89/00/1027028900.db2.gz HHLLVQNBZJXEBR-SECBINFHSA-N 1 2 348.187 3.655 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CCC1(F)F ZINC000582718347 1027028907 /nfs/dbraw/zinc/02/89/07/1027028907.db2.gz HHLLVQNBZJXEBR-SECBINFHSA-N 1 2 348.187 3.655 20 0 EHADLO Nc1nc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]c2ccccc12 ZINC000302039066 1027031600 /nfs/dbraw/zinc/03/16/00/1027031600.db2.gz VSKUDTAGNOSGCI-CYBMUJFWSA-N 1 2 339.830 3.556 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1F ZINC000302044621 1027033245 /nfs/dbraw/zinc/03/32/45/1027033245.db2.gz XMVZUKHBFRQIGD-QAPCUYQASA-N 1 2 346.381 3.519 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000302044621 1027033255 /nfs/dbraw/zinc/03/32/55/1027033255.db2.gz XMVZUKHBFRQIGD-QAPCUYQASA-N 1 2 346.381 3.519 20 0 EHADLO CCc1cc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)nc(C)[nH+]1 ZINC000302106292 1027055705 /nfs/dbraw/zinc/05/57/05/1027055705.db2.gz SARZSXWUDIHENR-GOSISDBHSA-N 1 2 329.419 3.672 20 0 EHADLO Cc1nc(N2CCC[C@@H]2CC(=O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302125449 1027062130 /nfs/dbraw/zinc/06/21/30/1027062130.db2.gz ZKKMSRZQNSUCPJ-CQSZACIVSA-N 1 2 341.480 3.967 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1cccc(Cl)c1 ZINC000302129358 1027062591 /nfs/dbraw/zinc/06/25/91/1027062591.db2.gz GILAOYTZWVLZBR-CJNGLKHVSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1cccc(Cl)c1 ZINC000302129358 1027062599 /nfs/dbraw/zinc/06/25/99/1027062599.db2.gz GILAOYTZWVLZBR-CJNGLKHVSA-N 1 2 346.862 3.654 20 0 EHADLO CC(C)[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000342789527 1027070985 /nfs/dbraw/zinc/07/09/85/1027070985.db2.gz CDPADJPFWBVDQX-IAGOWNOFSA-N 1 2 343.496 3.532 20 0 EHADLO CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000342792579 1027082243 /nfs/dbraw/zinc/08/22/43/1027082243.db2.gz WUOOFMQIBLPEOK-SGTLLEGYSA-N 1 2 330.407 3.626 20 0 EHADLO CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000342792579 1027082250 /nfs/dbraw/zinc/08/22/50/1027082250.db2.gz WUOOFMQIBLPEOK-SGTLLEGYSA-N 1 2 330.407 3.626 20 0 EHADLO Cc1nc(N2Cc3ccc(Br)cc3C2)c2c([nH+]1)CCCC2 ZINC000302189769 1027083693 /nfs/dbraw/zinc/08/36/93/1027083693.db2.gz YDHOPIZNPLOWQL-UHFFFAOYSA-N 1 2 344.256 3.947 20 0 EHADLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nc(-c2cccs2)n1 ZINC000665698054 1027087784 /nfs/dbraw/zinc/08/77/84/1027087784.db2.gz FFLNPGZVYCLDPM-AWEZNQCLSA-N 1 2 325.441 3.552 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125596076 1027094423 /nfs/dbraw/zinc/09/44/23/1027094423.db2.gz MSWUYUIVHNHNOC-BNEJOLLZSA-N 1 2 343.858 3.750 20 0 EHADLO CCC(CC)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000075197820 1027108896 /nfs/dbraw/zinc/10/88/96/1027108896.db2.gz ONESWVBMGJMNIG-MRXNPFEDSA-N 1 2 325.456 3.874 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccnc1 ZINC000125723762 1027119014 /nfs/dbraw/zinc/11/90/14/1027119014.db2.gz HNSKIAUXWBHVAW-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccnc1 ZINC000125723762 1027119027 /nfs/dbraw/zinc/11/90/27/1027119027.db2.gz HNSKIAUXWBHVAW-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1C ZINC000342798189 1027132575 /nfs/dbraw/zinc/13/25/75/1027132575.db2.gz SAJPWLVENKEMKG-OAHLLOKOSA-N 1 2 329.835 3.595 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccc(F)cc3F)C2)c2c([nH+]1)CCCC2 ZINC000302384981 1027135747 /nfs/dbraw/zinc/13/57/47/1027135747.db2.gz HHSWCWNMDLWUCA-SFHVURJKSA-N 1 2 345.393 3.520 20 0 EHADLO CCOCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000075358398 1027152900 /nfs/dbraw/zinc/15/29/00/1027152900.db2.gz NNQSYGHVCQFRRV-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO O=C(/C=C/c1cccc2ccccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552645 1027167270 /nfs/dbraw/zinc/16/72/70/1027167270.db2.gz ONBPRYYRJGQCQV-DOJUMQAQSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553010 1027167625 /nfs/dbraw/zinc/16/76/25/1027167625.db2.gz QKBFUNQVOWDKFW-PSKZRQQASA-N 1 2 349.356 3.848 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)c1 ZINC000075587953 1027173843 /nfs/dbraw/zinc/17/38/43/1027173843.db2.gz ITSQMVIMLZXCJZ-CYBMUJFWSA-N 1 2 341.333 3.520 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)c1 ZINC000075587953 1027173853 /nfs/dbraw/zinc/17/38/53/1027173853.db2.gz ITSQMVIMLZXCJZ-CYBMUJFWSA-N 1 2 341.333 3.520 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000272932788 1027182673 /nfs/dbraw/zinc/18/26/73/1027182673.db2.gz IPDIZFQGIJBQFU-IAGOWNOFSA-N 1 2 338.451 3.822 20 0 EHADLO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454217969 1027184564 /nfs/dbraw/zinc/18/45/64/1027184564.db2.gz JVKSRJIVQAQLLS-ICSRJNTNSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c(C)[nH+]1 ZINC000123355312 1027185229 /nfs/dbraw/zinc/18/52/29/1027185229.db2.gz GMLIDGILOVVPAP-PIGZYNQJSA-N 1 2 337.423 3.854 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3[nH]2)ccc1SC ZINC000123375742 1027193973 /nfs/dbraw/zinc/19/39/73/1027193973.db2.gz YXUPVHXEOKBUOE-UHFFFAOYSA-N 1 2 327.453 3.925 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)ccc1SC ZINC000123375742 1027193994 /nfs/dbraw/zinc/19/39/94/1027193994.db2.gz YXUPVHXEOKBUOE-UHFFFAOYSA-N 1 2 327.453 3.925 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000075891065 1027203631 /nfs/dbraw/zinc/20/36/31/1027203631.db2.gz ZLDWFRUEBNNMKJ-MXWKQRLJSA-N 1 2 330.856 3.632 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncncc2Cl)c1 ZINC000302615437 1027213851 /nfs/dbraw/zinc/21/38/51/1027213851.db2.gz FUYIGZPGOARCNX-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncncc2Cl)c1 ZINC000302615437 1027213868 /nfs/dbraw/zinc/21/38/68/1027213868.db2.gz FUYIGZPGOARCNX-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000076051294 1027230666 /nfs/dbraw/zinc/23/06/66/1027230666.db2.gz XLHHBTCCBYXLOU-STQMWFEESA-N 1 2 332.835 3.713 20 0 EHADLO O=C(CCc1cc(Cl)cc(Cl)c1)NCCCCn1cc[nH+]c1 ZINC000531708943 1027232208 /nfs/dbraw/zinc/23/22/08/1027232208.db2.gz DAHOVKJSIWTPME-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071507 1027233537 /nfs/dbraw/zinc/23/35/37/1027233537.db2.gz QDMJEBBPBGBBEI-HZPDHXFCSA-N 1 2 331.485 3.766 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071507 1027233552 /nfs/dbraw/zinc/23/35/52/1027233552.db2.gz QDMJEBBPBGBBEI-HZPDHXFCSA-N 1 2 331.485 3.766 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076093842 1027237743 /nfs/dbraw/zinc/23/77/43/1027237743.db2.gz FTEUOZVNPBCOFL-MSOLQXFVSA-N 1 2 340.471 3.710 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000531713742 1027241083 /nfs/dbraw/zinc/24/10/83/1027241083.db2.gz OGRXZUUCHRECNU-DZGCQCFKSA-N 1 2 334.261 3.673 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCc4c(O)cccc43)[nH+]cn2)C1 ZINC000302695972 1027243124 /nfs/dbraw/zinc/24/31/24/1027243124.db2.gz GPWRBZIVNWSGGY-RHSMWYFYSA-N 1 2 338.455 3.908 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCc4c(O)cccc43)nc[nH+]2)C1 ZINC000302695972 1027243136 /nfs/dbraw/zinc/24/31/36/1027243136.db2.gz GPWRBZIVNWSGGY-RHSMWYFYSA-N 1 2 338.455 3.908 20 0 EHADLO COCCC[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277846906 1027281678 /nfs/dbraw/zinc/28/16/78/1027281678.db2.gz ZWIXEZRMPATNMS-OAHLLOKOSA-N 1 2 341.455 3.888 20 0 EHADLO CCc1ncc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000414436864 1027289686 /nfs/dbraw/zinc/28/96/86/1027289686.db2.gz SMPUGHMZXMSQBD-ZACQAIPSSA-N 1 2 345.487 3.514 20 0 EHADLO CCc1ncc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000414436864 1027289703 /nfs/dbraw/zinc/28/97/03/1027289703.db2.gz SMPUGHMZXMSQBD-ZACQAIPSSA-N 1 2 345.487 3.514 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302803539 1027305007 /nfs/dbraw/zinc/30/50/07/1027305007.db2.gz VIYYYMBTPQFZNL-MRXNPFEDSA-N 1 2 340.471 3.685 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302803539 1027305027 /nfs/dbraw/zinc/30/50/27/1027305027.db2.gz VIYYYMBTPQFZNL-MRXNPFEDSA-N 1 2 340.471 3.685 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000076604387 1027306583 /nfs/dbraw/zinc/30/65/83/1027306583.db2.gz ANPZRFGQICREQQ-ZDUSSCGKSA-N 1 2 348.434 3.932 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000076604387 1027306605 /nfs/dbraw/zinc/30/66/05/1027306605.db2.gz ANPZRFGQICREQQ-ZDUSSCGKSA-N 1 2 348.434 3.932 20 0 EHADLO COCCc1nsc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 ZINC000302829688 1027315760 /nfs/dbraw/zinc/31/57/60/1027315760.db2.gz PLVOOIFRGPCSHT-UHFFFAOYSA-N 1 2 345.472 3.655 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657569074 1027325587 /nfs/dbraw/zinc/32/55/87/1027325587.db2.gz LDWJARJCPNHCIH-RDTXWAMCSA-N 1 2 334.423 3.749 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000302856150 1027329845 /nfs/dbraw/zinc/32/98/45/1027329845.db2.gz LOUPNJBWASMVFU-DZGCQCFKSA-N 1 2 325.391 3.688 20 0 EHADLO CCCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000127644516 1027336359 /nfs/dbraw/zinc/33/63/59/1027336359.db2.gz VXOGDNGNIBCLIZ-CRAIPNDOSA-N 1 2 326.444 3.951 20 0 EHADLO O=C(Nc1cc(Cl)ccc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045976521 1027374750 /nfs/dbraw/zinc/37/47/50/1027374750.db2.gz BORQRBYNZNAIDQ-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3c(C)nn(C)c3C)n2)cc1 ZINC000273329757 1027380414 /nfs/dbraw/zinc/38/04/14/1027380414.db2.gz RZBNSPCBMJKOBI-ZDUSSCGKSA-N 1 2 339.443 3.500 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000077233781 1027411810 /nfs/dbraw/zinc/41/18/10/1027411810.db2.gz QBPKOIYGGGWZFX-OAHLLOKOSA-N 1 2 346.368 3.762 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000077233781 1027411825 /nfs/dbraw/zinc/41/18/25/1027411825.db2.gz QBPKOIYGGGWZFX-OAHLLOKOSA-N 1 2 346.368 3.762 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414448660 1027443972 /nfs/dbraw/zinc/44/39/72/1027443972.db2.gz SLBPUKMLFBMHNO-AWEZNQCLSA-N 1 2 337.510 3.523 20 0 EHADLO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414448660 1027443986 /nfs/dbraw/zinc/44/39/86/1027443986.db2.gz SLBPUKMLFBMHNO-AWEZNQCLSA-N 1 2 337.510 3.523 20 0 EHADLO CC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@H](C)c1cccc(O)c1 ZINC000628146672 1027458792 /nfs/dbraw/zinc/45/87/92/1027458792.db2.gz WKTSVVZTBDELFT-CQSZACIVSA-N 1 2 340.402 3.695 20 0 EHADLO CC[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@H](C)c1cccc(O)c1 ZINC000628146672 1027458800 /nfs/dbraw/zinc/45/88/00/1027458800.db2.gz WKTSVVZTBDELFT-CQSZACIVSA-N 1 2 340.402 3.695 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459304168 1027460704 /nfs/dbraw/zinc/46/07/04/1027460704.db2.gz NEXDBXNSCPEJMU-UHFFFAOYSA-N 1 2 345.468 3.823 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459304168 1027460721 /nfs/dbraw/zinc/46/07/21/1027460721.db2.gz NEXDBXNSCPEJMU-UHFFFAOYSA-N 1 2 345.468 3.823 20 0 EHADLO O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128755018 1027476061 /nfs/dbraw/zinc/47/60/61/1027476061.db2.gz UECRVPKRPRWVQN-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861670 1027477219 /nfs/dbraw/zinc/47/72/19/1027477219.db2.gz ZRYPNUYZDYRCOS-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1nc(C)cs1 ZINC000273543385 1027486566 /nfs/dbraw/zinc/48/65/66/1027486566.db2.gz WBQPQEXNFWRVJC-FZMZJTMJSA-N 1 2 328.441 3.640 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[nH]1 ZINC000453179079 1027495829 /nfs/dbraw/zinc/49/58/29/1027495829.db2.gz PDDOMFUHXYLGLL-UONOGXRCSA-N 1 2 338.459 3.740 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000273574045 1027501289 /nfs/dbraw/zinc/50/12/89/1027501289.db2.gz GIIBZEAIEJDNTA-NSHDSACASA-N 1 2 333.457 3.653 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303279120 1027515449 /nfs/dbraw/zinc/51/54/49/1027515449.db2.gz ICOAOVPJEMHFLZ-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303279120 1027515454 /nfs/dbraw/zinc/51/54/54/1027515454.db2.gz ICOAOVPJEMHFLZ-ZDUSSCGKSA-N 1 2 328.815 3.578 20 0 EHADLO Cc1cccc(Cc2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000273729714 1027584116 /nfs/dbraw/zinc/58/41/16/1027584116.db2.gz OZTMVMKUQKXFOL-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO Cc1cccc(Cc2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000273729714 1027584128 /nfs/dbraw/zinc/58/41/28/1027584128.db2.gz OZTMVMKUQKXFOL-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1cccc(OC)c1 ZINC000657611846 1027626196 /nfs/dbraw/zinc/62/61/96/1027626196.db2.gz GTHCIYPDHQBDIE-QGZVFWFLSA-N 1 2 325.330 3.590 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342848437 1027636249 /nfs/dbraw/zinc/63/62/49/1027636249.db2.gz LILALMJSLOCCCO-YLJYHZDGSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342848437 1027636255 /nfs/dbraw/zinc/63/62/55/1027636255.db2.gz LILALMJSLOCCCO-YLJYHZDGSA-N 1 2 338.455 3.717 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1nc2c(s1)CCC2 ZINC000414462443 1027641072 /nfs/dbraw/zinc/64/10/72/1027641072.db2.gz MERCTSDIBBEMII-VIFPVBQESA-N 1 2 338.379 3.804 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(C2CCCCC2)ns1 ZINC000420613960 1027644748 /nfs/dbraw/zinc/64/47/48/1027644748.db2.gz UWRPWUVGQVIKKH-UHFFFAOYSA-N 1 2 331.489 3.755 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H](C)C1 ZINC000425172372 1027657222 /nfs/dbraw/zinc/65/72/22/1027657222.db2.gz AKGIUKMPGYOJSG-LMSBXDPUSA-N 1 2 325.456 3.873 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c[nH+]1 ZINC000897314699 1027706179 /nfs/dbraw/zinc/70/61/79/1027706179.db2.gz AFCQDJAJBJTORN-HNNXBMFYSA-N 1 2 347.846 3.610 20 0 EHADLO CCCCn1nnnc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000533352870 1027721226 /nfs/dbraw/zinc/72/12/26/1027721226.db2.gz IHXBMCSOFDGLNV-GOSISDBHSA-N 1 2 325.460 3.515 20 0 EHADLO CCCCn1nnnc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000533352870 1027721243 /nfs/dbraw/zinc/72/12/43/1027721243.db2.gz IHXBMCSOFDGLNV-GOSISDBHSA-N 1 2 325.460 3.515 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)n2)c(C)c1 ZINC000582794263 1027728137 /nfs/dbraw/zinc/72/81/37/1027728137.db2.gz HMQSZHXLGCKFBF-CYBMUJFWSA-N 1 2 340.452 3.967 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)n2)c(C)c1 ZINC000582794263 1027728154 /nfs/dbraw/zinc/72/81/54/1027728154.db2.gz HMQSZHXLGCKFBF-CYBMUJFWSA-N 1 2 340.452 3.967 20 0 EHADLO Cc1cc(NCc2cc[nH+]c(N)c2)nc2ccc(Br)cc12 ZINC001167617465 1027732278 /nfs/dbraw/zinc/73/22/78/1027732278.db2.gz NUIURCZFZXBWCF-UHFFFAOYSA-N 1 2 343.228 3.895 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)o1 ZINC000131055783 1027734088 /nfs/dbraw/zinc/73/40/88/1027734088.db2.gz IUUJXEBFABZMMF-CQSZACIVSA-N 1 2 345.424 3.875 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)o1 ZINC000131055783 1027734102 /nfs/dbraw/zinc/73/41/02/1027734102.db2.gz IUUJXEBFABZMMF-CQSZACIVSA-N 1 2 345.424 3.875 20 0 EHADLO CO[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(Cl)cc1 ZINC000420799356 1027738418 /nfs/dbraw/zinc/73/84/18/1027738418.db2.gz PEQKTTPKHZNXMB-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420790151 1027749792 /nfs/dbraw/zinc/74/97/92/1027749792.db2.gz HWOGYRBXKPLXOF-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503394498 1027764589 /nfs/dbraw/zinc/76/45/89/1027764589.db2.gz SGRBPNYUPIDYQS-AUUYWEPGSA-N 1 2 338.842 3.946 20 0 EHADLO CSCc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420838193 1027770389 /nfs/dbraw/zinc/77/03/89/1027770389.db2.gz QVSDOWWJXRNGEG-UHFFFAOYSA-N 1 2 329.469 3.561 20 0 EHADLO CCSc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420839028 1027772639 /nfs/dbraw/zinc/77/26/39/1027772639.db2.gz JVNABHFRSCMYFQ-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](Nc2ccccc2)C(C)C)cc(C)[nH+]1 ZINC000420851376 1027794043 /nfs/dbraw/zinc/79/40/43/1027794043.db2.gz QVMPSGBQHGZUFF-IBGZPJMESA-N 1 2 340.471 3.634 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc(C)[nH+]1 ZINC000420851301 1027795543 /nfs/dbraw/zinc/79/55/43/1027795543.db2.gz QQCSZSIXVGIWBM-LJQANCHMSA-N 1 2 341.430 3.754 20 0 EHADLO CC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(F)cc1F ZINC000420852831 1027795660 /nfs/dbraw/zinc/79/56/60/1027795660.db2.gz STTVAEPLOTUWDV-KRWDZBQOSA-N 1 2 333.382 3.927 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(C)(c3ccccc3)CC2)cc(C)[nH+]1 ZINC000420855717 1027801408 /nfs/dbraw/zinc/80/14/08/1027801408.db2.gz WTFSOYKJTJSQGU-UHFFFAOYSA-N 1 2 337.467 3.962 20 0 EHADLO CCOc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000420866710 1027826609 /nfs/dbraw/zinc/82/66/09/1027826609.db2.gz PWRBCOMAPYEXGZ-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO CCCCc1nc(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)no1 ZINC000503517892 1027848885 /nfs/dbraw/zinc/84/88/85/1027848885.db2.gz TWTWYQDWNSTPON-DLBZAZTESA-N 1 2 329.444 3.640 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000420922963 1027866614 /nfs/dbraw/zinc/86/66/14/1027866614.db2.gz PAUQTLZJNJBUBU-PBHICJAKSA-N 1 2 337.826 3.565 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000420922963 1027866627 /nfs/dbraw/zinc/86/66/27/1027866627.db2.gz PAUQTLZJNJBUBU-PBHICJAKSA-N 1 2 337.826 3.565 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940569 1027892127 /nfs/dbraw/zinc/89/21/27/1027892127.db2.gz DPXGKWYQWNWPNY-CHWSQXEVSA-N 1 2 349.418 3.816 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940569 1027892151 /nfs/dbraw/zinc/89/21/51/1027892151.db2.gz DPXGKWYQWNWPNY-CHWSQXEVSA-N 1 2 349.418 3.816 20 0 EHADLO CCn1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 ZINC000414480006 1027897591 /nfs/dbraw/zinc/89/75/91/1027897591.db2.gz JNBCKZXJRBZMRI-UHFFFAOYSA-N 1 2 343.862 3.649 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cc(F)cc(F)c1 ZINC000503576905 1027919600 /nfs/dbraw/zinc/91/96/00/1027919600.db2.gz IKFFCAKFMPOMJN-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cc(F)cc(F)c1 ZINC000503576905 1027919622 /nfs/dbraw/zinc/91/96/22/1027919622.db2.gz IKFFCAKFMPOMJN-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO CC[C@@H]1C[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@@H](CC)O1 ZINC000420954528 1027920729 /nfs/dbraw/zinc/92/07/29/1027920729.db2.gz KCMORZFALALWKS-NUEKZKHPSA-N 1 2 345.443 3.696 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccsc1 ZINC000523138494 1027923825 /nfs/dbraw/zinc/92/38/25/1027923825.db2.gz WLBHHUYAQPDHGX-CTEOGUNLSA-N 1 2 340.492 3.709 20 0 EHADLO Cc1cc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c(C)c[nH+]1 ZINC000536619306 1027937648 /nfs/dbraw/zinc/93/76/48/1027937648.db2.gz ZHBOHOOFMUFKHH-UHFFFAOYSA-N 1 2 339.414 3.971 20 0 EHADLO Cc1cccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)[nH+]1 ZINC000114184515 1027970537 /nfs/dbraw/zinc/97/05/37/1027970537.db2.gz UKQVBHFDJNZQCB-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934972 1028003228 /nfs/dbraw/zinc/00/32/28/1028003228.db2.gz YXCMGXCNXLVNCN-YGRLFVJLSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934972 1028003247 /nfs/dbraw/zinc/00/32/47/1028003247.db2.gz YXCMGXCNXLVNCN-YGRLFVJLSA-N 1 2 346.374 3.538 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2[C@@H](C)CCC[C@@H]2C)c1C ZINC000444592320 1028054224 /nfs/dbraw/zinc/05/42/24/1028054224.db2.gz ILXPWIHWMUSCRG-STQMWFEESA-N 1 2 333.476 3.673 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000367154294 1028062925 /nfs/dbraw/zinc/06/29/25/1028062925.db2.gz SNROHZKDYLAYDZ-CABCVRRESA-N 1 2 332.492 3.543 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000353520476 1028082876 /nfs/dbraw/zinc/08/28/76/1028082876.db2.gz PAZZZFFICWXDEG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000353520476 1028082897 /nfs/dbraw/zinc/08/28/97/1028082897.db2.gz PAZZZFFICWXDEG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000533561201 1028084779 /nfs/dbraw/zinc/08/47/79/1028084779.db2.gz RLHOIKIVLQKUIA-UHFFFAOYSA-N 1 2 326.425 3.967 20 0 EHADLO CC(C)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000548778393 1028127168 /nfs/dbraw/zinc/12/71/68/1028127168.db2.gz WRSFQKFGZAKLNL-UHFFFAOYSA-N 1 2 341.459 3.664 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444692143 1028167004 /nfs/dbraw/zinc/16/70/04/1028167004.db2.gz BBZSESOOSCZFOF-AWEZNQCLSA-N 1 2 330.394 3.972 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444692143 1028167011 /nfs/dbraw/zinc/16/70/11/1028167011.db2.gz BBZSESOOSCZFOF-AWEZNQCLSA-N 1 2 330.394 3.972 20 0 EHADLO CCC[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C(C)(C)C ZINC000455436037 1028174165 /nfs/dbraw/zinc/17/41/65/1028174165.db2.gz NXGQDORRKMJOHU-HNNXBMFYSA-N 1 2 329.448 3.663 20 0 EHADLO COc1cc(Cl)c(NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000455446901 1028185276 /nfs/dbraw/zinc/18/52/76/1028185276.db2.gz XVOISCVDMMLBHV-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000503901974 1028193592 /nfs/dbraw/zinc/19/35/92/1028193592.db2.gz KTJLFCZAQPPAAQ-PABFRNLHSA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000503901974 1028193601 /nfs/dbraw/zinc/19/36/01/1028193601.db2.gz KTJLFCZAQPPAAQ-PABFRNLHSA-N 1 2 327.346 3.746 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2C)c1 ZINC000444731703 1028194604 /nfs/dbraw/zinc/19/46/04/1028194604.db2.gz JMGBJTWGOSPMED-INIZCTEOSA-N 1 2 328.431 3.579 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)NCc2ccccc2C)c1 ZINC000444731703 1028194614 /nfs/dbraw/zinc/19/46/14/1028194614.db2.gz JMGBJTWGOSPMED-INIZCTEOSA-N 1 2 328.431 3.579 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135553470 1028203802 /nfs/dbraw/zinc/20/38/02/1028203802.db2.gz XKIBCMUIGXUTMW-GOSISDBHSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135553470 1028203818 /nfs/dbraw/zinc/20/38/18/1028203818.db2.gz XKIBCMUIGXUTMW-GOSISDBHSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(Cl)c3N(C)C)[nH+]c12 ZINC000523377311 1028222120 /nfs/dbraw/zinc/22/21/20/1028222120.db2.gz WXFWDLDNKHOMCL-UHFFFAOYSA-N 1 2 342.830 3.543 20 0 EHADLO [NH3+][C@@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)c1c(F)cccc1F ZINC000423139014 1028223335 /nfs/dbraw/zinc/22/33/35/1028223335.db2.gz UVPHWRHLXZDUBH-DNVCBOLYSA-N 1 2 344.405 3.761 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444747444 1028236360 /nfs/dbraw/zinc/23/63/60/1028236360.db2.gz ZDEGAXWPNKAROO-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444747444 1028236374 /nfs/dbraw/zinc/23/63/74/1028236374.db2.gz ZDEGAXWPNKAROO-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1cc(C)c(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c(C)[nH+]1 ZINC000455481808 1028247595 /nfs/dbraw/zinc/24/75/95/1028247595.db2.gz HUAUMQMVVLDGQQ-QGZVFWFLSA-N 1 2 341.411 3.819 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000136613010 1028262065 /nfs/dbraw/zinc/26/20/65/1028262065.db2.gz XEMMNHZXESQUGQ-HNNXBMFYSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000136613010 1028262082 /nfs/dbraw/zinc/26/20/82/1028262082.db2.gz XEMMNHZXESQUGQ-HNNXBMFYSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)c(C)[nH+]1 ZINC000455511619 1028288741 /nfs/dbraw/zinc/28/87/41/1028288741.db2.gz HPMDUTMCELIJLT-GOSISDBHSA-N 1 2 349.438 3.983 20 0 EHADLO COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455510953 1028290277 /nfs/dbraw/zinc/29/02/77/1028290277.db2.gz HLZHSIKSZLNSNR-SFHVURJKSA-N 1 2 341.455 3.728 20 0 EHADLO O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151900735 1028303250 /nfs/dbraw/zinc/30/32/50/1028303250.db2.gz LRYDUMKUBBLKNH-OAHLLOKOSA-N 1 2 338.455 3.829 20 0 EHADLO CC[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022471638 1028305768 /nfs/dbraw/zinc/30/57/68/1028305768.db2.gz FCCRDXNENNTUNK-ZDUSSCGKSA-N 1 2 329.469 3.686 20 0 EHADLO CC[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022471638 1028305784 /nfs/dbraw/zinc/30/57/84/1028305784.db2.gz FCCRDXNENNTUNK-ZDUSSCGKSA-N 1 2 329.469 3.686 20 0 EHADLO Cc1ccc(C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)o1 ZINC000354122230 1028329460 /nfs/dbraw/zinc/32/94/60/1028329460.db2.gz XWUGZHXNQMGIRY-AWEZNQCLSA-N 1 2 346.858 3.517 20 0 EHADLO Cc1ccc(C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)o1 ZINC000354122230 1028329471 /nfs/dbraw/zinc/32/94/71/1028329471.db2.gz XWUGZHXNQMGIRY-AWEZNQCLSA-N 1 2 346.858 3.517 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1ncc(Br)cn1 ZINC000421379346 1028339859 /nfs/dbraw/zinc/33/98/59/1028339859.db2.gz INOBONDRXJTVCU-LLVKDONJSA-N 1 2 332.245 3.967 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)nn1C ZINC000421389115 1028363676 /nfs/dbraw/zinc/36/36/76/1028363676.db2.gz WNRZUTUUVAVVAT-CQSZACIVSA-N 1 2 325.790 3.827 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000067462733 1028368147 /nfs/dbraw/zinc/36/81/47/1028368147.db2.gz ANJGRXYSBSEMLS-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000067462733 1028368162 /nfs/dbraw/zinc/36/81/62/1028368162.db2.gz ANJGRXYSBSEMLS-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc2oc(C[NH2+]C(C)(C)c3cn(C(C)C)nn3)cc2c1 ZINC000421396039 1028375739 /nfs/dbraw/zinc/37/57/39/1028375739.db2.gz BFWAFOQFAFJZKS-UHFFFAOYSA-N 1 2 328.416 3.639 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c[nH+]1 ZINC000455551557 1028381888 /nfs/dbraw/zinc/38/18/88/1028381888.db2.gz FUVZZMVWGAIGHN-PKOBYXMFSA-N 1 2 337.467 3.861 20 0 EHADLO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423362024 1028388394 /nfs/dbraw/zinc/38/83/94/1028388394.db2.gz XIZJXQRQXBWSNM-RBUKOAKNSA-N 1 2 336.414 3.888 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000582968366 1028390546 /nfs/dbraw/zinc/39/05/46/1028390546.db2.gz PLVWFERFVMIXHH-FKWAWQIUSA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000582968366 1028390558 /nfs/dbraw/zinc/39/05/58/1028390558.db2.gz PLVWFERFVMIXHH-FKWAWQIUSA-N 1 2 345.430 3.950 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000455551908 1028390941 /nfs/dbraw/zinc/39/09/41/1028390941.db2.gz GBOCXOILSAHYGG-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000582969031 1028394210 /nfs/dbraw/zinc/39/42/10/1028394210.db2.gz YYZXCYGJWPDCLT-BHIYHBOVSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)c2c(F)cccc2F)c[nH+]1 ZINC000455551792 1028395458 /nfs/dbraw/zinc/39/54/58/1028395458.db2.gz FXAKSNZYSAWKDN-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO COc1ccc(Cl)cc1CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502577612 1028396980 /nfs/dbraw/zinc/39/69/80/1028396980.db2.gz SVHVIYZNRFLVCX-UHFFFAOYSA-N 1 2 341.798 3.920 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000060466771 1028412607 /nfs/dbraw/zinc/41/26/07/1028412607.db2.gz LFEMTONEDVSCKK-SFHVURJKSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000060466771 1028412617 /nfs/dbraw/zinc/41/26/17/1028412617.db2.gz LFEMTONEDVSCKK-SFHVURJKSA-N 1 2 333.439 3.616 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000897333040 1028416758 /nfs/dbraw/zinc/41/67/58/1028416758.db2.gz AITFDENVQBFJJE-UHFFFAOYSA-N 1 2 336.414 3.662 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000079025276 1028417152 /nfs/dbraw/zinc/41/71/52/1028417152.db2.gz JJOADWDZPSQUNJ-INIZCTEOSA-N 1 2 346.434 3.765 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000897334086 1028455182 /nfs/dbraw/zinc/45/51/82/1028455182.db2.gz IHUCVSKQRXTARH-UHFFFAOYSA-N 1 2 341.846 3.505 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000897334086 1028455202 /nfs/dbraw/zinc/45/52/02/1028455202.db2.gz IHUCVSKQRXTARH-UHFFFAOYSA-N 1 2 341.846 3.505 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1cccs1 ZINC000070754245 1028461128 /nfs/dbraw/zinc/46/11/28/1028461128.db2.gz CPIYGEFYTTWRMC-RDTXWAMCSA-N 1 2 340.448 3.725 20 0 EHADLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000513750395 1028494162 /nfs/dbraw/zinc/49/41/62/1028494162.db2.gz HLYOAIBEHNDVCY-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000513750395 1028494168 /nfs/dbraw/zinc/49/41/68/1028494168.db2.gz HLYOAIBEHNDVCY-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000025508060 1028499651 /nfs/dbraw/zinc/49/96/51/1028499651.db2.gz DIOJMLNVOWNXDL-XQQFMLRXSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000025508060 1028499654 /nfs/dbraw/zinc/49/96/54/1028499654.db2.gz DIOJMLNVOWNXDL-XQQFMLRXSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635542 1028506443 /nfs/dbraw/zinc/50/64/43/1028506443.db2.gz HFILSFJGVJBTQE-HOTGVXAUSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635542 1028506445 /nfs/dbraw/zinc/50/64/45/1028506445.db2.gz HFILSFJGVJBTQE-HOTGVXAUSA-N 1 2 340.467 3.856 20 0 EHADLO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CC(n2cc[nH+]c2)C1 ZINC000523689451 1028527524 /nfs/dbraw/zinc/52/75/24/1028527524.db2.gz PJNKISFOYWGVHQ-UHFFFAOYSA-N 1 2 343.839 3.962 20 0 EHADLO Cc1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cc(C)[nH+]1 ZINC000421563576 1028540127 /nfs/dbraw/zinc/54/01/27/1028540127.db2.gz XMVPNKHEEUZIKK-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO C[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000079250966 1028555482 /nfs/dbraw/zinc/55/54/82/1028555482.db2.gz PKZVZPBQBYHUJC-KRWDZBQOSA-N 1 2 348.450 3.534 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc(C)[nH+]1 ZINC000421578411 1028573264 /nfs/dbraw/zinc/57/32/64/1028573264.db2.gz RAAZMOVTGJWUAU-KGLIPLIRSA-N 1 2 334.341 3.536 20 0 EHADLO O[C@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000195069708 1028574859 /nfs/dbraw/zinc/57/48/59/1028574859.db2.gz XNMQJQZVIIRMNA-IAGOWNOFSA-N 1 2 346.402 3.834 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1cccc(Cl)c1 ZINC000195073749 1028576348 /nfs/dbraw/zinc/57/63/48/1028576348.db2.gz FSQYSMYRHBFYNS-CXAGYDPISA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc[nH+]1 ZINC000073803319 1028581543 /nfs/dbraw/zinc/58/15/43/1028581543.db2.gz YLDYVWOLNIGESW-UHFFFAOYSA-N 1 2 331.375 3.895 20 0 EHADLO FC(F)(F)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000195122561 1028583646 /nfs/dbraw/zinc/58/36/46/1028583646.db2.gz SHKFHNOHISWLOC-HZPDHXFCSA-N 1 2 346.356 3.830 20 0 EHADLO CCOCc1ccccc1CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074198833 1028603875 /nfs/dbraw/zinc/60/38/75/1028603875.db2.gz HIEYCABDZKWYMR-UHFFFAOYSA-N 1 2 349.434 3.647 20 0 EHADLO [NH3+][C@H](C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c(F)cccc1F ZINC000423785094 1028612055 /nfs/dbraw/zinc/61/20/55/1028612055.db2.gz SMPBNVRMGICUSJ-IAISJRAMSA-N 1 2 348.368 3.556 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000074472653 1028615943 /nfs/dbraw/zinc/61/59/43/1028615943.db2.gz KNSHBZDWJBGTOB-INIZCTEOSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000074511908 1028619741 /nfs/dbraw/zinc/61/97/41/1028619741.db2.gz IQWGISDHRINROU-UHFFFAOYSA-N 1 2 337.398 3.635 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(F)c(F)c1 ZINC000122344976 1028621188 /nfs/dbraw/zinc/62/11/88/1028621188.db2.gz UBHVABVHCYMAFV-UHFFFAOYSA-N 1 2 346.381 3.672 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454301642 1028679307 /nfs/dbraw/zinc/67/93/07/1028679307.db2.gz LUFLIVYAUCGHJZ-MRXNPFEDSA-N 1 2 342.487 3.598 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000429739436 1028717749 /nfs/dbraw/zinc/71/77/49/1028717749.db2.gz RKWVFMLABNGKRE-OAHLLOKOSA-N 1 2 333.476 3.638 20 0 EHADLO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cn2c1 ZINC000245481659 1028727948 /nfs/dbraw/zinc/72/79/48/1028727948.db2.gz YPNOSRBZVLEORN-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1ccc2nc(C[N@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cn2c1 ZINC000245481659 1028727959 /nfs/dbraw/zinc/72/79/59/1028727959.db2.gz YPNOSRBZVLEORN-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(-c2ccccn2)nc1 ZINC001625981648 1028734863 /nfs/dbraw/zinc/73/48/63/1028734863.db2.gz KCUHFHVKIWSXKC-UHFFFAOYSA-N 1 2 341.374 3.786 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079485533 1028760022 /nfs/dbraw/zinc/76/00/22/1028760022.db2.gz QZUUIVKKHPWIRH-UHFFFAOYSA-N 1 2 348.535 3.866 20 0 EHADLO COc1cccc2c(N3CC[C@H](c4ccccc4)[C@H](CO)C3)cc[nH+]c12 ZINC000664374857 1028767781 /nfs/dbraw/zinc/76/77/81/1028767781.db2.gz AHXRCCBMYRAXLQ-ZWKOTPCHSA-N 1 2 348.446 3.846 20 0 EHADLO c1sc2c(c1-c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000278070358 1028776470 /nfs/dbraw/zinc/77/64/70/1028776470.db2.gz NFUQFBCKXOWCKH-SWLSCSKDSA-N 1 2 345.468 3.603 20 0 EHADLO c1sc2c(c1-c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000278070358 1028776479 /nfs/dbraw/zinc/77/64/79/1028776479.db2.gz NFUQFBCKXOWCKH-SWLSCSKDSA-N 1 2 345.468 3.603 20 0 EHADLO CC(C)n1ncnc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000385493428 1028780832 /nfs/dbraw/zinc/78/08/32/1028780832.db2.gz IQFVAGCCUIOCFI-UHFFFAOYSA-N 1 2 336.439 3.728 20 0 EHADLO O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000247412659 1028788313 /nfs/dbraw/zinc/78/83/13/1028788313.db2.gz JPEZDIHFPMFEAB-NZSAHSFTSA-N 1 2 336.439 3.520 20 0 EHADLO Cc1nc(NCc2ncc(-c3ccccc3)cn2)c2c([nH+]1)CCCC2 ZINC000186004945 1028790770 /nfs/dbraw/zinc/79/07/70/1028790770.db2.gz MZSCDFXCWVBNKC-UHFFFAOYSA-N 1 2 331.423 3.733 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccncc1Cl ZINC000421818712 1028836991 /nfs/dbraw/zinc/83/69/91/1028836991.db2.gz CCJLURUYLNAXHU-JTQLQIEISA-N 1 2 345.752 3.922 20 0 EHADLO CCCN1C(=O)CCc2cc(NCc3c[nH+]cn3C(C)C)ccc21 ZINC000424160313 1028861829 /nfs/dbraw/zinc/86/18/29/1028861829.db2.gz AMXJYOMKYWJCIA-UHFFFAOYSA-N 1 2 326.444 3.765 20 0 EHADLO O=C(N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[C@@]12C[C@@H]1CCC2 ZINC000421883751 1028888427 /nfs/dbraw/zinc/88/84/27/1028888427.db2.gz KAVNBYSFACDXEM-LPHOPBHVSA-N 1 2 343.858 3.756 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000524121199 1028890007 /nfs/dbraw/zinc/89/00/07/1028890007.db2.gz MHIBSBDRWUJTHX-ROUUACIJSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](COCC(C)C)c2ccco2)c[nH+]1 ZINC000454427604 1028911566 /nfs/dbraw/zinc/91/15/66/1028911566.db2.gz LWEWLVMIPSVVQU-QGZVFWFLSA-N 1 2 345.443 3.505 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1)c1ccccc1 ZINC000248606846 1028926275 /nfs/dbraw/zinc/92/62/75/1028926275.db2.gz WKDJEVUZCLEVKL-BPQIPLTHSA-N 1 2 344.455 3.603 20 0 EHADLO COc1ccc2nc(C(=O)Nc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000079611934 1028931037 /nfs/dbraw/zinc/93/10/37/1028931037.db2.gz NSOUWENYQUSSCJ-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CC(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532851160 1028956710 /nfs/dbraw/zinc/95/67/10/1028956710.db2.gz FONWALAGSACDLQ-CVEARBPZSA-N 1 2 341.858 3.522 20 0 EHADLO CC(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532851160 1028956719 /nfs/dbraw/zinc/95/67/19/1028956719.db2.gz FONWALAGSACDLQ-CVEARBPZSA-N 1 2 341.858 3.522 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH+]c12 ZINC000524203739 1028964173 /nfs/dbraw/zinc/96/41/73/1028964173.db2.gz SYMWJGOUJIVWIZ-FHLIZLRMSA-N 1 2 327.472 3.762 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535940264 1028966280 /nfs/dbraw/zinc/96/62/80/1028966280.db2.gz BXQIHBOHRAPYGT-BBWFWOEESA-N 1 2 332.492 3.524 20 0 EHADLO CC(C)([NH2+]Cc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154019401 1028976170 /nfs/dbraw/zinc/97/61/70/1028976170.db2.gz LSBYABIOJCSIQY-UHFFFAOYSA-N 1 2 346.356 3.710 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1OC ZINC000245690657 1029012995 /nfs/dbraw/zinc/01/29/95/1029012995.db2.gz BHDAWSILUALNIE-MAUKXSAKSA-N 1 2 327.424 3.666 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1OC ZINC000245690657 1029013015 /nfs/dbraw/zinc/01/30/15/1029013015.db2.gz BHDAWSILUALNIE-MAUKXSAKSA-N 1 2 327.424 3.666 20 0 EHADLO CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000524269418 1029033115 /nfs/dbraw/zinc/03/31/15/1029033115.db2.gz SZANUDSAVKYXND-HXUWFJFHSA-N 1 2 342.870 3.984 20 0 EHADLO CCCC[C@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000524306743 1029067498 /nfs/dbraw/zinc/06/74/98/1029067498.db2.gz IITBRWRDTULXAS-GOSISDBHSA-N 1 2 331.456 3.622 20 0 EHADLO C[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000532918482 1029067975 /nfs/dbraw/zinc/06/79/75/1029067975.db2.gz FLBSDGKKGSOLFU-UHFFFAOYSA-N 1 2 341.282 3.730 20 0 EHADLO C[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000532918482 1029067994 /nfs/dbraw/zinc/06/79/94/1029067994.db2.gz FLBSDGKKGSOLFU-UHFFFAOYSA-N 1 2 341.282 3.730 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](CC(=O)c3cccn3C)CC2)cc1 ZINC000532919870 1029069366 /nfs/dbraw/zinc/06/93/66/1029069366.db2.gz ZXQAQRNWILVOPC-UHFFFAOYSA-N 1 2 340.467 3.875 20 0 EHADLO Cc1ccccc1CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000504931266 1029077497 /nfs/dbraw/zinc/07/74/97/1029077497.db2.gz WUWZZARZMGXUIM-UHFFFAOYSA-N 1 2 347.462 3.531 20 0 EHADLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000583166361 1029082005 /nfs/dbraw/zinc/08/20/05/1029082005.db2.gz NYUYVXZPLYDLDO-JLJPHGGASA-N 1 2 343.858 3.947 20 0 EHADLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000583166362 1029082048 /nfs/dbraw/zinc/08/20/48/1029082048.db2.gz NYUYVXZPLYDLDO-LXZKKBNFSA-N 1 2 343.858 3.947 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)c(OC)n1 ZINC000353095069 1029103224 /nfs/dbraw/zinc/10/32/24/1029103224.db2.gz OXMBORPDQIUSOC-UHFFFAOYSA-N 1 2 341.436 3.512 20 0 EHADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(C4CC4)o3)ccc2NC1=O ZINC000271705789 1029131368 /nfs/dbraw/zinc/13/13/68/1029131368.db2.gz IOCYVCRCTBJUND-IAQYHMDHSA-N 1 2 341.411 3.512 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cncn2Cc2ccccc2)s1 ZINC000445774452 1029135354 /nfs/dbraw/zinc/13/53/54/1029135354.db2.gz QSNHBCQUZFPNOG-UHFFFAOYSA-N 1 2 326.469 3.721 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000445800007 1029138362 /nfs/dbraw/zinc/13/83/62/1029138362.db2.gz RSBUDQBMRVZQCO-OAQYLSRUSA-N 1 2 333.435 3.505 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000445803033 1029140663 /nfs/dbraw/zinc/14/06/63/1029140663.db2.gz QWZVUBLEACFALA-UHFFFAOYSA-N 1 2 346.478 3.562 20 0 EHADLO c1csc([C@H]2CN(Cc3c[nH+]cn3Cc3ccccc3)CCO2)c1 ZINC000445805501 1029143009 /nfs/dbraw/zinc/14/30/09/1029143009.db2.gz LDTRWUNOWYIKPS-GOSISDBHSA-N 1 2 339.464 3.566 20 0 EHADLO CCc1noc(C)c1-c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000445806515 1029145723 /nfs/dbraw/zinc/14/57/23/1029145723.db2.gz WPVKYQYQEVEJKM-TWGQIWQCSA-N 1 2 347.378 3.952 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124236814 1029167202 /nfs/dbraw/zinc/16/72/02/1029167202.db2.gz ZDJOAHIOJMNIGI-GJYPPUQNSA-N 1 2 343.446 3.701 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271785393 1029170232 /nfs/dbraw/zinc/17/02/32/1029170232.db2.gz LNMAADCZENSRJJ-LBPRGKRZSA-N 1 2 347.386 3.845 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000271805134 1029178483 /nfs/dbraw/zinc/17/84/83/1029178483.db2.gz PWCNDTVPXVBQTH-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000078047077 1029191381 /nfs/dbraw/zinc/19/13/81/1029191381.db2.gz OCGZGOXTURJYRF-UHFFFAOYSA-N 1 2 343.496 3.545 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000078047077 1029191390 /nfs/dbraw/zinc/19/13/90/1029191390.db2.gz OCGZGOXTURJYRF-UHFFFAOYSA-N 1 2 343.496 3.545 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[C@H](F)C1 ZINC000424614192 1029203535 /nfs/dbraw/zinc/20/35/35/1029203535.db2.gz VWRLNRKSJFTENU-OLZOCXBDSA-N 1 2 325.453 3.596 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000271869315 1029208924 /nfs/dbraw/zinc/20/89/24/1029208924.db2.gz XBCBSBMQMRWDSM-AWEZNQCLSA-N 1 2 347.283 3.687 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000533066175 1029235850 /nfs/dbraw/zinc/23/58/50/1029235850.db2.gz RFZFJEZMFVVMDE-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000533066175 1029235867 /nfs/dbraw/zinc/23/58/67/1029235867.db2.gz RFZFJEZMFVVMDE-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO CSc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000161583961 1029253707 /nfs/dbraw/zinc/25/37/07/1029253707.db2.gz IMBGGHUHABCLRR-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+](C)[C@@H](CO)c3ccccc3)o2)cc1 ZINC000343113547 1029256395 /nfs/dbraw/zinc/25/63/95/1029256395.db2.gz GAZPNMRHNNNHLT-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+](C)[C@@H](CO)c3ccccc3)o2)cc1 ZINC000343113547 1029256409 /nfs/dbraw/zinc/25/64/09/1029256409.db2.gz GAZPNMRHNNNHLT-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000161607095 1029257764 /nfs/dbraw/zinc/25/77/64/1029257764.db2.gz WLMGTBNOYSBTMA-GUDVDZBRSA-N 1 2 341.499 3.905 20 0 EHADLO CCC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000524523462 1029279371 /nfs/dbraw/zinc/27/93/71/1029279371.db2.gz ZWGNLIRQMHMCOQ-SFHVURJKSA-N 1 2 346.519 3.810 20 0 EHADLO CC1=CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000535964813 1029286349 /nfs/dbraw/zinc/28/63/49/1029286349.db2.gz WMVOJRYLCQGSFN-UHFFFAOYSA-N 1 2 342.439 3.709 20 0 EHADLO CC1=CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000535964813 1029286365 /nfs/dbraw/zinc/28/63/65/1029286365.db2.gz WMVOJRYLCQGSFN-UHFFFAOYSA-N 1 2 342.439 3.709 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2coc(-c3cccs3)n2)CC1 ZINC000285564839 1029297536 /nfs/dbraw/zinc/29/75/36/1029297536.db2.gz NJCCKDJCOTVJMH-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2coc(-c3cccs3)n2)CC1 ZINC000285564839 1029297552 /nfs/dbraw/zinc/29/75/52/1029297552.db2.gz NJCCKDJCOTVJMH-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000272080255 1029302798 /nfs/dbraw/zinc/30/27/98/1029302798.db2.gz FRHBVODMJZOKLD-YJBOKZPZSA-N 1 2 326.444 3.502 20 0 EHADLO CCc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1Cl ZINC000343121331 1029303322 /nfs/dbraw/zinc/30/33/22/1029303322.db2.gz PMHFRLZUKJOCEL-UHFFFAOYSA-N 1 2 326.787 3.735 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245808150 1029320655 /nfs/dbraw/zinc/32/06/55/1029320655.db2.gz YXCCQVWDHXNVSA-MAUKXSAKSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245808150 1029320673 /nfs/dbraw/zinc/32/06/73/1029320673.db2.gz YXCCQVWDHXNVSA-MAUKXSAKSA-N 1 2 327.424 3.666 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000424804514 1029347142 /nfs/dbraw/zinc/34/71/42/1029347142.db2.gz FJQNNENBZINKGU-QGZVFWFLSA-N 1 2 339.483 3.755 20 0 EHADLO CC1(C)CC=C(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000454817156 1029352456 /nfs/dbraw/zinc/35/24/56/1029352456.db2.gz SEUHNEOBFSSVNV-UHFFFAOYSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000124951585 1029378009 /nfs/dbraw/zinc/37/80/09/1029378009.db2.gz YZZVZIJJQLGKRS-SJKOYZFVSA-N 1 2 342.830 3.741 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@H](C)[C@H](C)O1 ZINC000446071037 1029388984 /nfs/dbraw/zinc/38/89/84/1029388984.db2.gz LLXVRORJPVBSPL-UPJWGTAASA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@H](C)[C@H](C)O1 ZINC000446071037 1029388995 /nfs/dbraw/zinc/38/89/95/1029388995.db2.gz LLXVRORJPVBSPL-UPJWGTAASA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@@H](C)[C@@H](C)O1 ZINC000446077146 1029392986 /nfs/dbraw/zinc/39/29/86/1029392986.db2.gz ISVPDZNAVQLHOE-OWCLPIDISA-N 1 2 344.430 3.797 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@@H](C)[C@@H](C)O1 ZINC000446077146 1029393006 /nfs/dbraw/zinc/39/30/06/1029393006.db2.gz ISVPDZNAVQLHOE-OWCLPIDISA-N 1 2 344.430 3.797 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000079941403 1029393930 /nfs/dbraw/zinc/39/39/30/1029393930.db2.gz SBKASTIQTGJHHC-RDJZCZTQSA-N 1 2 328.460 3.667 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000393330737 1029405240 /nfs/dbraw/zinc/40/52/40/1029405240.db2.gz ISKBXLQQQNSABF-OAHLLOKOSA-N 1 2 334.261 3.740 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cccc1 ZINC000524648729 1029407593 /nfs/dbraw/zinc/40/75/93/1029407593.db2.gz GFIQMNYLQRIQAY-OAHLLOKOSA-N 1 2 346.500 3.766 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000245875008 1029409090 /nfs/dbraw/zinc/40/90/90/1029409090.db2.gz GVNWGNFHMULVED-ICBNADEASA-N 1 2 329.488 3.899 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)c(C)c1 ZINC000272332065 1029421108 /nfs/dbraw/zinc/42/11/08/1029421108.db2.gz VQOJDVXHFYBFFP-MRXNPFEDSA-N 1 2 334.423 3.717 20 0 EHADLO CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533168423 1029424783 /nfs/dbraw/zinc/42/47/83/1029424783.db2.gz WUAKWAXIYMBASK-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533168423 1029424784 /nfs/dbraw/zinc/42/47/84/1029424784.db2.gz WUAKWAXIYMBASK-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ns1 ZINC000278163813 1029434755 /nfs/dbraw/zinc/43/47/55/1029434755.db2.gz DHQLCFQENBBSEJ-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@H](CCOC)c1ccco1)c1ccccc1 ZINC000272477756 1029473683 /nfs/dbraw/zinc/47/36/83/1029473683.db2.gz QIZGKDRRCZSGCZ-MJGOQNOKSA-N 1 2 344.455 3.557 20 0 EHADLO CCCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000272487569 1029478968 /nfs/dbraw/zinc/47/89/68/1029478968.db2.gz VSBMTRWEEYHUCE-UHFFFAOYSA-N 1 2 326.444 3.842 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000272552266 1029509311 /nfs/dbraw/zinc/50/93/11/1029509311.db2.gz OWMRGOGNNKTYHL-AWEZNQCLSA-N 1 2 345.443 3.832 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000272552266 1029509325 /nfs/dbraw/zinc/50/93/25/1029509325.db2.gz OWMRGOGNNKTYHL-AWEZNQCLSA-N 1 2 345.443 3.832 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccco1 ZINC000272587374 1029524053 /nfs/dbraw/zinc/52/40/53/1029524053.db2.gz QLUJOIHSUMJUNA-ZDUSSCGKSA-N 1 2 333.819 3.687 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CCC[C@@H]3C(C)C)s2)cc1 ZINC000272599656 1029527939 /nfs/dbraw/zinc/52/79/39/1029527939.db2.gz ONQDECPKRPWHFO-OAHLLOKOSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CCC[C@@H]3C(C)C)s2)cc1 ZINC000272599656 1029527948 /nfs/dbraw/zinc/52/79/48/1029527948.db2.gz ONQDECPKRPWHFO-OAHLLOKOSA-N 1 2 344.484 3.719 20 0 EHADLO C[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000079214163 1029588904 /nfs/dbraw/zinc/58/89/04/1029588904.db2.gz UGJFKJPHSSZNSJ-INIZCTEOSA-N 1 2 346.434 3.765 20 0 EHADLO CC[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)F ZINC000455023927 1029590464 /nfs/dbraw/zinc/59/04/64/1029590464.db2.gz NJHUJWDVTHPMNO-CQSZACIVSA-N 1 2 346.381 3.767 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000666817189 1029613493 /nfs/dbraw/zinc/61/34/93/1029613493.db2.gz IHAJHCJXQLKMHT-CSMYWGQOSA-N 1 2 343.858 3.929 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000126367661 1029711674 /nfs/dbraw/zinc/71/16/74/1029711674.db2.gz YFJLCGXPAGDXBW-KDTHMAEVSA-N 1 2 346.434 3.554 20 0 EHADLO CC(C)COc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000156033586 1029726813 /nfs/dbraw/zinc/72/68/13/1029726813.db2.gz AVQNPPRTJGURCG-ZDUSSCGKSA-N 1 2 347.846 3.772 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428587137 1029732268 /nfs/dbraw/zinc/73/22/68/1029732268.db2.gz QLRICJPVHGUZKD-UHFFFAOYSA-N 1 2 334.508 3.822 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000525270764 1029765760 /nfs/dbraw/zinc/76/57/60/1029765760.db2.gz AEHGLAQJGQISOQ-HZPDHXFCSA-N 1 2 342.508 3.723 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000525270764 1029765766 /nfs/dbraw/zinc/76/57/66/1029765766.db2.gz AEHGLAQJGQISOQ-HZPDHXFCSA-N 1 2 342.508 3.723 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000509686781 1029766266 /nfs/dbraw/zinc/76/62/66/1029766266.db2.gz SJQWJHDWNMDBFB-OXQOHEQNSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000509686781 1029766279 /nfs/dbraw/zinc/76/62/79/1029766279.db2.gz SJQWJHDWNMDBFB-OXQOHEQNSA-N 1 2 339.435 3.730 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000079987441 1029805466 /nfs/dbraw/zinc/80/54/66/1029805466.db2.gz XVJZPFUKFGVCPO-QGZVFWFLSA-N 1 2 348.450 3.800 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000287563235 1029826150 /nfs/dbraw/zinc/82/61/50/1029826150.db2.gz GGZFABBJJAMFEK-OCCSQVGLSA-N 1 2 329.366 3.594 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001211581065 1029827217 /nfs/dbraw/zinc/82/72/17/1029827217.db2.gz YEAQRWHXBLLFAC-MRVPVSSYSA-N 1 2 334.153 3.756 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000114823389 1029854253 /nfs/dbraw/zinc/85/42/53/1029854253.db2.gz LGEZUPAJMALUKP-KRWDZBQOSA-N 1 2 344.503 3.518 20 0 EHADLO C=Cn1cc(CNc2[nH+]c3ccccc3n2Cc2ccccc2C)cn1 ZINC000446969022 1029875283 /nfs/dbraw/zinc/87/52/83/1029875283.db2.gz DXBLJBFNUZCBGH-UHFFFAOYSA-N 1 2 343.434 3.724 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc31)CS2 ZINC000453201105 1029900815 /nfs/dbraw/zinc/90/08/15/1029900815.db2.gz AAWWQTYJGPIHPN-VXGBXAGGSA-N 1 2 336.258 3.527 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000120135390 1029900656 /nfs/dbraw/zinc/90/06/56/1029900656.db2.gz KRYNNTOHBLTBIX-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000120135390 1029900672 /nfs/dbraw/zinc/90/06/72/1029900672.db2.gz KRYNNTOHBLTBIX-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)o1 ZINC000525695703 1030028341 /nfs/dbraw/zinc/02/83/41/1030028341.db2.gz IYZQLFAMQNEAGV-SUMWQHHRSA-N 1 2 345.439 3.651 20 0 EHADLO Cc1csc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481841558 1030034788 /nfs/dbraw/zinc/03/47/88/1030034788.db2.gz XWGMJMHQYONSGW-ZNMIVQPWSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1csc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000481841558 1030034794 /nfs/dbraw/zinc/03/47/94/1030034794.db2.gz XWGMJMHQYONSGW-ZNMIVQPWSA-N 1 2 336.501 3.926 20 0 EHADLO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H]1CCc2ccccc21 ZINC000278306721 1030081353 /nfs/dbraw/zinc/08/13/53/1030081353.db2.gz AYWCTSIOEMVXDA-SFHVURJKSA-N 1 2 337.398 3.919 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H]1CCc2ccccc21 ZINC000278306721 1030081368 /nfs/dbraw/zinc/08/13/68/1030081368.db2.gz AYWCTSIOEMVXDA-SFHVURJKSA-N 1 2 337.398 3.919 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)o1 ZINC000600630087 1030083605 /nfs/dbraw/zinc/08/36/05/1030083605.db2.gz KDFUJCYOLLVEMY-GJZGRUSLSA-N 1 2 340.471 3.609 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)CC(C)C ZINC000163173809 1030088389 /nfs/dbraw/zinc/08/83/89/1030088389.db2.gz HNFRYBNRXPXONT-QGZVFWFLSA-N 1 2 346.519 3.764 20 0 EHADLO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)s1 ZINC000531942433 1030108409 /nfs/dbraw/zinc/10/84/09/1030108409.db2.gz QBAAFORQMCHHNP-CZUORRHYSA-N 1 2 326.469 3.934 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cn1 ZINC000428479159 1030125025 /nfs/dbraw/zinc/12/50/25/1030125025.db2.gz JPDUUNFHDSNXMU-NWDGAFQWSA-N 1 2 331.370 3.942 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1cccc(Cl)c1 ZINC000156917197 1030130707 /nfs/dbraw/zinc/13/07/07/1030130707.db2.gz SDXKLFLQEQPPDX-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO COCc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000531957521 1030136384 /nfs/dbraw/zinc/13/63/84/1030136384.db2.gz RVFWDVVUKIOXET-CYBMUJFWSA-N 1 2 328.195 3.956 20 0 EHADLO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000667982357 1030148112 /nfs/dbraw/zinc/14/81/12/1030148112.db2.gz CXRXDOFWQDVFIL-IERDGZPVSA-N 1 2 346.478 3.994 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3c(Cl)cc(O)cc3Cl)CC2)n1 ZINC001142118451 1030149391 /nfs/dbraw/zinc/14/93/91/1030149391.db2.gz LZVYSPCZRCFBCN-UHFFFAOYSA-N 1 2 342.226 3.770 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)c(OC(C)C)c1 ZINC000447380932 1030151004 /nfs/dbraw/zinc/15/10/04/1030151004.db2.gz GAFYNCZIRJTLGE-FQEVSTJZSA-N 1 2 340.467 3.701 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428482683 1030171747 /nfs/dbraw/zinc/17/17/47/1030171747.db2.gz QFVSSQIJERUSMD-HXUWFJFHSA-N 1 2 341.455 3.523 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428482683 1030171753 /nfs/dbraw/zinc/17/17/53/1030171753.db2.gz QFVSSQIJERUSMD-HXUWFJFHSA-N 1 2 341.455 3.523 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000453365655 1030177983 /nfs/dbraw/zinc/17/79/83/1030177983.db2.gz SPEDESLSIMAGGZ-SUNKGSAMSA-N 1 2 335.835 3.910 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635065996 1030191168 /nfs/dbraw/zinc/19/11/68/1030191168.db2.gz WCKYZTCRHVMYQC-LBPRGKRZSA-N 1 2 331.725 3.977 20 0 EHADLO COC[C@H]([NH2+]Cc1ncccc1OC)c1cccc(C(F)(F)F)c1 ZINC000453374669 1030194041 /nfs/dbraw/zinc/19/40/41/1030194041.db2.gz SOPPGOCWCXZZSR-HNNXBMFYSA-N 1 2 340.345 3.586 20 0 EHADLO COc1ccccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657771805 1030196164 /nfs/dbraw/zinc/19/61/64/1030196164.db2.gz GMFSHXDSQTVYBN-AWEZNQCLSA-N 1 2 326.223 3.825 20 0 EHADLO CCc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2Br)o1 ZINC000453380177 1030205011 /nfs/dbraw/zinc/20/50/11/1030205011.db2.gz KYAJYRATEYJRPJ-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(Cl)cc1 ZINC000453401435 1030208981 /nfs/dbraw/zinc/20/89/81/1030208981.db2.gz OYVDCFLYWJLTIO-SFHVURJKSA-N 1 2 347.890 3.959 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)o1 ZINC000052458044 1030229700 /nfs/dbraw/zinc/22/97/00/1030229700.db2.gz QSZQOFBPJDVYJM-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)o1 ZINC000052458044 1030229713 /nfs/dbraw/zinc/22/97/13/1030229713.db2.gz QSZQOFBPJDVYJM-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO O=C(NCCCC1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536081211 1030229975 /nfs/dbraw/zinc/22/99/75/1030229975.db2.gz FFUMWKLHSUGGGF-UHFFFAOYSA-N 1 2 336.439 3.914 20 0 EHADLO O=C(Nc1ccc(COc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000091166140 1030234979 /nfs/dbraw/zinc/23/49/79/1030234979.db2.gz ZAISSZXBUCOLDF-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091702349 1030287168 /nfs/dbraw/zinc/28/71/68/1030287168.db2.gz KMGFGLGYTOXVCF-QFBILLFUSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091702349 1030287176 /nfs/dbraw/zinc/28/71/76/1030287176.db2.gz KMGFGLGYTOXVCF-QFBILLFUSA-N 1 2 325.456 3.732 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(Cl)cn2C)c1OC(F)F ZINC000091930860 1030338540 /nfs/dbraw/zinc/33/85/40/1030338540.db2.gz JMTFYVYAQKZMCX-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1OC(F)F ZINC000091930860 1030338560 /nfs/dbraw/zinc/33/85/60/1030338560.db2.gz JMTFYVYAQKZMCX-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO CCOc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058605704 1030354012 /nfs/dbraw/zinc/35/40/12/1030354012.db2.gz AQZHFZMDXPQCHZ-UHFFFAOYSA-N 1 2 343.427 3.770 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000092044608 1030363303 /nfs/dbraw/zinc/36/33/03/1030363303.db2.gz GAPIPUGTRWPXTB-GFCCVEGCSA-N 1 2 330.457 3.997 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000092044608 1030363317 /nfs/dbraw/zinc/36/33/17/1030363317.db2.gz GAPIPUGTRWPXTB-GFCCVEGCSA-N 1 2 330.457 3.997 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000509653099 1030375740 /nfs/dbraw/zinc/37/57/40/1030375740.db2.gz ZRWMOEVGBXZQSX-VIFPVBQESA-N 1 2 336.226 3.868 20 0 EHADLO CCC[N@H+](CC1OCCO1)[C@H](C)c1ccccc1Br ZINC000741156898 1131580958 /nfs/dbraw/zinc/58/09/58/1131580958.db2.gz KKWVPWPLPNOXCZ-GFCCVEGCSA-N 1 2 328.250 3.595 20 0 EHADLO CCC[N@@H+](CC1OCCO1)[C@H](C)c1ccccc1Br ZINC000741156898 1131580962 /nfs/dbraw/zinc/58/09/62/1131580962.db2.gz KKWVPWPLPNOXCZ-GFCCVEGCSA-N 1 2 328.250 3.595 20 0 EHADLO CC(C)Sc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000532131547 1030426283 /nfs/dbraw/zinc/42/62/83/1030426283.db2.gz LFNPWPDNLQNSQH-UHFFFAOYSA-N 1 2 332.473 3.986 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)[C@H]1C ZINC000532160542 1030453884 /nfs/dbraw/zinc/45/38/84/1030453884.db2.gz OCWLGCRWISTNPJ-XEZPLFJOSA-N 1 2 340.558 3.777 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)[C@H]1C ZINC000532160542 1030453890 /nfs/dbraw/zinc/45/38/90/1030453890.db2.gz OCWLGCRWISTNPJ-XEZPLFJOSA-N 1 2 340.558 3.777 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)nc2ccccc12 ZINC000532218596 1030486338 /nfs/dbraw/zinc/48/63/38/1030486338.db2.gz LICGGQTVPHWRIZ-YEBMWUKDSA-N 1 2 339.464 3.526 20 0 EHADLO Cc1cccc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)[nH+]1 ZINC000157372086 1030487155 /nfs/dbraw/zinc/48/71/55/1030487155.db2.gz FLDJYADKRRAHDS-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824183 1030500558 /nfs/dbraw/zinc/50/05/58/1030500558.db2.gz XZPSMOSKCOCKNT-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824183 1030500566 /nfs/dbraw/zinc/50/05/66/1030500566.db2.gz XZPSMOSKCOCKNT-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823940 1030501538 /nfs/dbraw/zinc/50/15/38/1030501538.db2.gz WZEZXSTZEFFFHV-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823940 1030501546 /nfs/dbraw/zinc/50/15/46/1030501546.db2.gz WZEZXSTZEFFFHV-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C(C)(F)F)c(C)c1 ZINC000343365437 1030532229 /nfs/dbraw/zinc/53/22/29/1030532229.db2.gz BLPDHLCKVSESEA-HOCLYGCPSA-N 1 2 335.398 3.649 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1 ZINC000447849379 1030540388 /nfs/dbraw/zinc/54/03/88/1030540388.db2.gz PLWDSLGXUCYSOL-GOSISDBHSA-N 1 2 325.387 3.693 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCO1 ZINC000092975054 1030541452 /nfs/dbraw/zinc/54/14/52/1030541452.db2.gz UQFOGJIBOHXTTE-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCO1 ZINC000092975054 1030541465 /nfs/dbraw/zinc/54/14/65/1030541465.db2.gz UQFOGJIBOHXTTE-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc3ccccc3n1)C2 ZINC000526983467 1030542999 /nfs/dbraw/zinc/54/29/99/1030542999.db2.gz YZEDVTCRZNFDDM-HNNXBMFYSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc3ccccc3n1)CC2 ZINC000526983467 1030543013 /nfs/dbraw/zinc/54/30/13/1030543013.db2.gz YZEDVTCRZNFDDM-HNNXBMFYSA-N 1 2 348.450 3.503 20 0 EHADLO Cc1cc(C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)c(C)o1 ZINC000093009644 1030550827 /nfs/dbraw/zinc/55/08/27/1030550827.db2.gz IUVNCNGNLOEHJQ-UHFFFAOYSA-N 1 2 348.393 3.569 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000925255733 1030554378 /nfs/dbraw/zinc/55/43/78/1030554378.db2.gz YACCAPABMQRBOM-CYBMUJFWSA-N 1 2 335.398 3.980 20 0 EHADLO COc1ccc2oc(C[N@H+](C)Cc3nc4ccccc4n3C)cc2c1 ZINC000093364115 1030594048 /nfs/dbraw/zinc/59/40/48/1030594048.db2.gz GLFDXUOQBNWVAZ-UHFFFAOYSA-N 1 2 335.407 3.960 20 0 EHADLO COc1ccc2oc(C[N@@H+](C)Cc3nc4ccccc4n3C)cc2c1 ZINC000093364115 1030594065 /nfs/dbraw/zinc/59/40/65/1030594065.db2.gz GLFDXUOQBNWVAZ-UHFFFAOYSA-N 1 2 335.407 3.960 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)OC(C)(C)C3)o2)cc1C ZINC000246620454 1030601559 /nfs/dbraw/zinc/60/15/59/1030601559.db2.gz NOOIBSYKVUJXOU-CABCVRRESA-N 1 2 329.444 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)OC(C)(C)C3)o2)cc1C ZINC000246620454 1030601567 /nfs/dbraw/zinc/60/15/67/1030601567.db2.gz NOOIBSYKVUJXOU-CABCVRRESA-N 1 2 329.444 3.914 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000093413399 1030608890 /nfs/dbraw/zinc/60/88/90/1030608890.db2.gz LTULBAABHVCGDN-GJYPPUQNSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000093413399 1030608900 /nfs/dbraw/zinc/60/89/00/1030608900.db2.gz LTULBAABHVCGDN-GJYPPUQNSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093457796 1030615203 /nfs/dbraw/zinc/61/52/03/1030615203.db2.gz NPDFLZMBALEKFV-HXUWFJFHSA-N 1 2 349.434 3.664 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093457796 1030615210 /nfs/dbraw/zinc/61/52/10/1030615210.db2.gz NPDFLZMBALEKFV-HXUWFJFHSA-N 1 2 349.434 3.664 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(F)ccc1Cl ZINC000527075013 1030626976 /nfs/dbraw/zinc/62/69/76/1030626976.db2.gz UEUCHYXDBZSWTP-CVEARBPZSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(F)ccc1Cl ZINC000527075013 1030626983 /nfs/dbraw/zinc/62/69/83/1030626983.db2.gz UEUCHYXDBZSWTP-CVEARBPZSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc2[nH+]ccn21 ZINC000482672917 1030631485 /nfs/dbraw/zinc/63/14/85/1030631485.db2.gz QZYLNCLJZNTUNP-ZDUSSCGKSA-N 1 2 329.787 3.784 20 0 EHADLO COCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C)o1 ZINC000093707306 1030665840 /nfs/dbraw/zinc/66/58/40/1030665840.db2.gz JKUYVSIWDCTIAX-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO COCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C)o1 ZINC000093707306 1030665855 /nfs/dbraw/zinc/66/58/55/1030665855.db2.gz JKUYVSIWDCTIAX-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768238 1030667841 /nfs/dbraw/zinc/66/78/41/1030667841.db2.gz MQKRPSIGZWOQCR-MRXNPFEDSA-N 1 2 339.407 3.966 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768238 1030667852 /nfs/dbraw/zinc/66/78/52/1030667852.db2.gz MQKRPSIGZWOQCR-MRXNPFEDSA-N 1 2 339.407 3.966 20 0 EHADLO COc1ccnc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000448033910 1030671068 /nfs/dbraw/zinc/67/10/68/1030671068.db2.gz FHSYRBJWNYQLGJ-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccnc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000448033910 1030671078 /nfs/dbraw/zinc/67/10/78/1030671078.db2.gz FHSYRBJWNYQLGJ-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000157602212 1030685205 /nfs/dbraw/zinc/68/52/05/1030685205.db2.gz MSJVVPNFTLWEGB-AWEZNQCLSA-N 1 2 332.444 3.940 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cs1 ZINC000157602212 1030685211 /nfs/dbraw/zinc/68/52/11/1030685211.db2.gz MSJVVPNFTLWEGB-AWEZNQCLSA-N 1 2 332.444 3.940 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000157625174 1030686135 /nfs/dbraw/zinc/68/61/35/1030686135.db2.gz MSAWSPOOUPRGER-GFCCVEGCSA-N 1 2 347.532 3.852 20 0 EHADLO O=C(NCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000170692405 1030697959 /nfs/dbraw/zinc/69/79/59/1030697959.db2.gz VCNVWURQWMWNHF-WOJBJXKFSA-N 1 2 346.434 3.611 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc([C@@H]3C[C@@H]3C)o1)C2 ZINC000527235302 1030725029 /nfs/dbraw/zinc/72/50/29/1030725029.db2.gz DUNYHGKYSXETQW-GZBFAFLISA-N 1 2 341.455 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc([C@@H]3C[C@@H]3C)o1)CC2 ZINC000527235302 1030725046 /nfs/dbraw/zinc/72/50/46/1030725046.db2.gz DUNYHGKYSXETQW-GZBFAFLISA-N 1 2 341.455 3.671 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3nc(-c4ccoc4)no3)c2c1 ZINC000170933730 1030736721 /nfs/dbraw/zinc/73/67/21/1030736721.db2.gz ATFPBKDIFVEBLK-UHFFFAOYSA-N 1 2 337.335 3.774 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CSc3ccccc31)C2 ZINC000527247622 1030737432 /nfs/dbraw/zinc/73/74/32/1030737432.db2.gz JOLVQZAGZVJTHD-LRDDRELGSA-N 1 2 341.480 3.601 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CSc3ccccc31)CC2 ZINC000527247622 1030737445 /nfs/dbraw/zinc/73/74/45/1030737445.db2.gz JOLVQZAGZVJTHD-LRDDRELGSA-N 1 2 341.480 3.601 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC12CCC2 ZINC000536131680 1030783664 /nfs/dbraw/zinc/78/36/64/1030783664.db2.gz POADMMLKFPLIKV-INIZCTEOSA-N 1 2 338.455 3.594 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nc(-c2cccs2)no1 ZINC000527324446 1030796471 /nfs/dbraw/zinc/79/64/71/1030796471.db2.gz FKZPGUNXMKLJBN-IAQYHMDHSA-N 1 2 326.425 3.995 20 0 EHADLO Cc1ccc(Br)cc1-c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924067904 1030799482 /nfs/dbraw/zinc/79/94/82/1030799482.db2.gz YNOOADSPYIENHP-VXGBXAGGSA-N 1 2 345.200 3.802 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2cccc(F)c2)CC1 ZINC000115037830 1030808047 /nfs/dbraw/zinc/80/80/47/1030808047.db2.gz VHFSLJDJPHKKIM-UHFFFAOYSA-N 1 2 339.345 3.821 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2cc(F)ccc2s1 ZINC000172113810 1030836897 /nfs/dbraw/zinc/83/68/97/1030836897.db2.gz XQFRVCDDDSMBHB-UHFFFAOYSA-N 1 2 329.400 3.667 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000016632692 1030866442 /nfs/dbraw/zinc/86/64/42/1030866442.db2.gz HSOJKWXLYNPMFA-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000016632692 1030866464 /nfs/dbraw/zinc/86/64/64/1030866464.db2.gz HSOJKWXLYNPMFA-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO O=C(COc1ccc(Cl)c(F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000583826007 1030873588 /nfs/dbraw/zinc/87/35/88/1030873588.db2.gz QCVXUFPVPYUIAM-UHFFFAOYSA-N 1 2 345.761 3.887 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000527532889 1030952611 /nfs/dbraw/zinc/95/26/11/1030952611.db2.gz FGEACBJQAFRHJU-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000527532889 1030952622 /nfs/dbraw/zinc/95/26/22/1030952622.db2.gz FGEACBJQAFRHJU-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc2ccccc2s1 ZINC000343457111 1030968032 /nfs/dbraw/zinc/96/80/32/1030968032.db2.gz HJHZMMMJOCEADA-JSGCOSHPSA-N 1 2 325.437 3.538 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000448334510 1030970761 /nfs/dbraw/zinc/97/07/61/1030970761.db2.gz ISXQGTBHAXNOJQ-DYESRHJHSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000448334510 1030970774 /nfs/dbraw/zinc/97/07/74/1030970774.db2.gz ISXQGTBHAXNOJQ-DYESRHJHSA-N 1 2 333.435 3.834 20 0 EHADLO CC1(C)CCC(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000157988323 1030999970 /nfs/dbraw/zinc/99/99/70/1030999970.db2.gz IFRNQRBTLNTXTI-UHFFFAOYSA-N 1 2 329.488 3.773 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000583869504 1031002324 /nfs/dbraw/zinc/00/23/24/1031002324.db2.gz RUEVTDQBIIKMLX-SFHVURJKSA-N 1 2 328.435 3.853 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000448373544 1031006955 /nfs/dbraw/zinc/00/69/55/1031006955.db2.gz QXOKJUFHSYLMFY-OAHLLOKOSA-N 1 2 335.398 3.602 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000448373544 1031006971 /nfs/dbraw/zinc/00/69/71/1031006971.db2.gz QXOKJUFHSYLMFY-OAHLLOKOSA-N 1 2 335.398 3.602 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1SCc1cccs1 ZINC000172990717 1031040976 /nfs/dbraw/zinc/04/09/76/1031040976.db2.gz GRCHWPOETLRUNS-UHFFFAOYSA-N 1 2 343.477 3.736 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(CCC4)C3)n2)C1 ZINC000343474064 1031042795 /nfs/dbraw/zinc/04/27/95/1031042795.db2.gz XCPYVWSBTOQBGX-AWEZNQCLSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(CCC4)C3)n2)C1 ZINC000343474064 1031042803 /nfs/dbraw/zinc/04/28/03/1031042803.db2.gz XCPYVWSBTOQBGX-AWEZNQCLSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666962046 1031060216 /nfs/dbraw/zinc/06/02/16/1031060216.db2.gz XHXIYQGJVKGLRX-KGLIPLIRSA-N 1 2 343.858 3.851 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000668226793 1031077785 /nfs/dbraw/zinc/07/77/85/1031077785.db2.gz TXTYXOWQNQXFBI-CQSZACIVSA-N 1 2 345.281 3.702 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000668226793 1031077800 /nfs/dbraw/zinc/07/78/00/1031077800.db2.gz TXTYXOWQNQXFBI-CQSZACIVSA-N 1 2 345.281 3.702 20 0 EHADLO FC1(F)Oc2cccc(CNc3ccc(Cn4cc[nH+]c4)cc3)c2O1 ZINC001168355145 1031108262 /nfs/dbraw/zinc/10/82/62/1031108262.db2.gz GFXKARZTYMJQON-UHFFFAOYSA-N 1 2 343.333 3.865 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000760538001 1031109218 /nfs/dbraw/zinc/10/92/18/1031109218.db2.gz IDIIVMMPQPUURC-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000760538001 1031109228 /nfs/dbraw/zinc/10/92/28/1031109228.db2.gz IDIIVMMPQPUURC-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483363826 1031131198 /nfs/dbraw/zinc/13/11/98/1031131198.db2.gz AANRKWGDJRNUOH-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483363826 1031131206 /nfs/dbraw/zinc/13/12/06/1031131206.db2.gz AANRKWGDJRNUOH-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000173896257 1031154730 /nfs/dbraw/zinc/15/47/30/1031154730.db2.gz MBLUVZVGGVYGCZ-WMLDXEAASA-N 1 2 344.459 3.570 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000173896257 1031154745 /nfs/dbraw/zinc/15/47/45/1031154745.db2.gz MBLUVZVGGVYGCZ-WMLDXEAASA-N 1 2 344.459 3.570 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnc4cccc(C)n34)CCO2)cc1 ZINC000483427452 1031160538 /nfs/dbraw/zinc/16/05/38/1031160538.db2.gz KLTDGOSVSBLVLD-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnc4cccc(C)n34)CCO2)cc1 ZINC000483427452 1031160549 /nfs/dbraw/zinc/16/05/49/1031160549.db2.gz KLTDGOSVSBLVLD-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000116443550 1031162933 /nfs/dbraw/zinc/16/29/33/1031162933.db2.gz BMLVXSZUUHLKLD-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ncc(Br)cc1F ZINC000527710467 1031169204 /nfs/dbraw/zinc/16/92/04/1031169204.db2.gz UCRMNNMZVSJKNA-UHFFFAOYSA-N 1 2 342.212 3.613 20 0 EHADLO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cc(F)ccc1F ZINC000278511134 1031175068 /nfs/dbraw/zinc/17/50/68/1031175068.db2.gz OVOSJOKJDNPZKG-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000483528111 1031201655 /nfs/dbraw/zinc/20/16/55/1031201655.db2.gz MFOZPEGEFAHAGO-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000483528111 1031201672 /nfs/dbraw/zinc/20/16/72/1031201672.db2.gz MFOZPEGEFAHAGO-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO Cc1nocc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527750621 1031202396 /nfs/dbraw/zinc/20/23/96/1031202396.db2.gz AZPCZSGAZYFWDF-QMMMGPOBSA-N 1 2 331.160 3.875 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]4CCC[C@@H]43)cn2c1 ZINC000174367368 1031203935 /nfs/dbraw/zinc/20/39/35/1031203935.db2.gz SVNRCGVPXOTXHK-WBVHZDCISA-N 1 2 343.496 3.667 20 0 EHADLO CC(C)(C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)Cc1ccccc1 ZINC000551304194 1031205770 /nfs/dbraw/zinc/20/57/70/1031205770.db2.gz SYLXVJNDGUBDFM-IBGZPJMESA-N 1 2 338.430 3.892 20 0 EHADLO CC(C)(C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)Cc1ccccc1 ZINC000551304194 1031205781 /nfs/dbraw/zinc/20/57/81/1031205781.db2.gz SYLXVJNDGUBDFM-IBGZPJMESA-N 1 2 338.430 3.892 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(CO)o1)c1cc(F)c(Br)cc1F ZINC000527752677 1031208977 /nfs/dbraw/zinc/20/89/77/1031208977.db2.gz NJEZUHOEAGNNRM-QMMMGPOBSA-N 1 2 346.171 3.663 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000483542197 1031211716 /nfs/dbraw/zinc/21/17/16/1031211716.db2.gz IHIFHBYQKIZMJR-HNNXBMFYSA-N 1 2 337.460 3.564 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000483542197 1031211730 /nfs/dbraw/zinc/21/17/30/1031211730.db2.gz IHIFHBYQKIZMJR-HNNXBMFYSA-N 1 2 337.460 3.564 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2ccc3ccccc3n2)no1)c1ccccc1 ZINC000685238855 1031213024 /nfs/dbraw/zinc/21/30/24/1031213024.db2.gz XSULEBSQJFXCAZ-HXUWFJFHSA-N 1 2 344.418 3.860 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527787436 1031225273 /nfs/dbraw/zinc/22/52/73/1031225273.db2.gz BHDWYOZBLGMLTA-UHFFFAOYSA-N 1 2 331.160 3.622 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000483647431 1031256240 /nfs/dbraw/zinc/25/62/40/1031256240.db2.gz AWAFQOYQYOGLAO-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000483647431 1031256259 /nfs/dbraw/zinc/25/62/59/1031256259.db2.gz AWAFQOYQYOGLAO-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2c1C ZINC000116720689 1031317140 /nfs/dbraw/zinc/31/71/40/1031317140.db2.gz BMRAVTZLTMDJGR-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448628661 1031348365 /nfs/dbraw/zinc/34/83/65/1031348365.db2.gz BUHHOWZIFORMFS-IFMALSPDSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1cccc(Cl)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000448630090 1031353101 /nfs/dbraw/zinc/35/31/01/1031353101.db2.gz LKICPMLUXBASBL-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527869060 1031354294 /nfs/dbraw/zinc/35/42/94/1031354294.db2.gz ZVYNSPBRICYXNK-WBVHZDCISA-N 1 2 325.456 3.756 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175736868 1031372279 /nfs/dbraw/zinc/37/22/79/1031372279.db2.gz JEQBCUJALKOHMZ-JXFKEZNVSA-N 1 2 331.419 3.891 20 0 EHADLO CCOC1(C)CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000428718191 1031378557 /nfs/dbraw/zinc/37/85/57/1031378557.db2.gz DVSQICGSCRYRGT-GFCCVEGCSA-N 1 2 349.500 3.966 20 0 EHADLO Clc1cc(CNc2cccc[nH+]2)ccc1I ZINC000393743186 1031381096 /nfs/dbraw/zinc/38/10/96/1031381096.db2.gz JIMLZALUTWJWDW-UHFFFAOYSA-N 1 2 344.583 3.952 20 0 EHADLO Cc1cnccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176255732 1031401239 /nfs/dbraw/zinc/40/12/39/1031401239.db2.gz WNXWCPJJYMNYST-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cnccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176255732 1031401250 /nfs/dbraw/zinc/40/12/50/1031401250.db2.gz WNXWCPJJYMNYST-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000176310333 1031426530 /nfs/dbraw/zinc/42/65/30/1031426530.db2.gz ZDVDRKAIGHRKQF-OAHLLOKOSA-N 1 2 337.423 3.940 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)CCNc1[nH+]cccc1OC ZINC000527914433 1031448554 /nfs/dbraw/zinc/44/85/54/1031448554.db2.gz RTLINSPNBXLJTJ-UHFFFAOYSA-N 1 2 349.818 3.501 20 0 EHADLO Cc1ccccc1-c1nsc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000527915838 1031451327 /nfs/dbraw/zinc/45/13/27/1031451327.db2.gz OYPGXWVGISPVMF-UHFFFAOYSA-N 1 2 325.441 3.621 20 0 EHADLO Cc1ccccc1-c1nsc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000527928461 1031492195 /nfs/dbraw/zinc/49/21/95/1031492195.db2.gz OYDHDSHDVVXIOX-HOCLYGCPSA-N 1 2 339.468 3.798 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000080613331 1031533678 /nfs/dbraw/zinc/53/36/78/1031533678.db2.gz UDNODYKLHRNAPE-IEBWSBKVSA-N 1 2 342.487 3.633 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080617066 1031546752 /nfs/dbraw/zinc/54/67/52/1031546752.db2.gz ABDDYXAOTBKUFD-RBUKOAKNSA-N 1 2 340.471 3.559 20 0 EHADLO CCn1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000177520476 1031550627 /nfs/dbraw/zinc/55/06/27/1031550627.db2.gz VVBUSVZBPDGWKI-BEFAXECRSA-N 1 2 336.439 3.581 20 0 EHADLO CC(C)(C)c1noc(CSCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177825216 1031574701 /nfs/dbraw/zinc/57/47/01/1031574701.db2.gz NDCZLDRVJWTCES-UHFFFAOYSA-N 1 2 328.441 3.986 20 0 EHADLO CCC[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347434144 1031576378 /nfs/dbraw/zinc/57/63/78/1031576378.db2.gz QRBGJXPOCOEYCY-ROUUACIJSA-N 1 2 325.456 3.710 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347439385 1031578322 /nfs/dbraw/zinc/57/83/22/1031578322.db2.gz XOUYWGISMKJFMJ-ZDUSSCGKSA-N 1 2 341.386 3.634 20 0 EHADLO COc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000194879948 1031597759 /nfs/dbraw/zinc/59/77/59/1031597759.db2.gz PUFVUKMVJLRLSR-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC12CCCCC2 ZINC000477495034 1031613615 /nfs/dbraw/zinc/61/36/15/1031613615.db2.gz PGIPCCYQNMZQKL-SFHVURJKSA-N 1 2 337.467 3.561 20 0 EHADLO Cc1cccc(OC(F)F)c1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178200409 1031640159 /nfs/dbraw/zinc/64/01/59/1031640159.db2.gz FDXKZOHCQVGRKP-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)s1 ZINC000667015959 1031655017 /nfs/dbraw/zinc/65/50/17/1031655017.db2.gz DDMINLJVKXNCHD-UHFFFAOYSA-N 1 2 325.434 3.582 20 0 EHADLO C[C@@H](CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347458012 1031670345 /nfs/dbraw/zinc/67/03/45/1031670345.db2.gz CJTPUOCDTKJFMF-FUHWJXTLSA-N 1 2 325.456 3.710 20 0 EHADLO Cc1csc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1Cl ZINC000551791072 1031673501 /nfs/dbraw/zinc/67/35/01/1031673501.db2.gz DRIHAYCFBILGSX-OAHLLOKOSA-N 1 2 348.899 3.709 20 0 EHADLO Cc1csc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1Cl ZINC000551791072 1031673513 /nfs/dbraw/zinc/67/35/13/1031673513.db2.gz DRIHAYCFBILGSX-OAHLLOKOSA-N 1 2 348.899 3.709 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536140 1031686228 /nfs/dbraw/zinc/68/62/28/1031686228.db2.gz GEWMRJDJGXAAQT-UXHICEINSA-N 1 2 345.483 3.648 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536140 1031686235 /nfs/dbraw/zinc/68/62/35/1031686235.db2.gz GEWMRJDJGXAAQT-UXHICEINSA-N 1 2 345.483 3.648 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178406135 1031695797 /nfs/dbraw/zinc/69/57/97/1031695797.db2.gz ZNHUQOZBJGYVHU-GOSISDBHSA-N 1 2 336.439 3.921 20 0 EHADLO [NH3+][C@@H](c1nc(CCc2ccco2)no1)c1ccccc1C(F)(F)F ZINC000904098019 1031723627 /nfs/dbraw/zinc/72/36/27/1031723627.db2.gz MEHITUXOSQUMHB-CQSZACIVSA-N 1 2 337.301 3.515 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C)nc2C(C)C)c1C ZINC000448826895 1031731262 /nfs/dbraw/zinc/73/12/62/1031731262.db2.gz ZYWRGHACZWONPC-UHFFFAOYSA-N 1 2 341.455 3.806 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000151619872 1031747646 /nfs/dbraw/zinc/74/76/46/1031747646.db2.gz VCFRWZZZGXCIQW-IEBWSBKVSA-N 1 2 343.515 3.893 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccncc1OCC(F)F ZINC000568587520 1031749086 /nfs/dbraw/zinc/74/90/86/1031749086.db2.gz VTRZEDZRKLIYDL-UHFFFAOYSA-N 1 2 329.350 3.616 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCC34CC4)n2)C1 ZINC000528140410 1031767759 /nfs/dbraw/zinc/76/77/59/1031767759.db2.gz PVFNDNGSKIVPGX-DZGCQCFKSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCC34CC4)n2)C1 ZINC000528140410 1031767776 /nfs/dbraw/zinc/76/77/76/1031767776.db2.gz PVFNDNGSKIVPGX-DZGCQCFKSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@]1(Br)C[C@@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000528127486 1031778592 /nfs/dbraw/zinc/77/85/92/1031778592.db2.gz VHHMSOJKKZFTBJ-IUODEOHRSA-N 1 2 345.200 3.563 20 0 EHADLO CCOc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000117623937 1031783408 /nfs/dbraw/zinc/78/34/08/1031783408.db2.gz AJQKBIKCBCCHJZ-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(NCc1ccc(F)c(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117643111 1031785588 /nfs/dbraw/zinc/78/55/88/1031785588.db2.gz MIXKBJHQHRZTKJ-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccsc3C(F)(F)F)n2)C1 ZINC000528154419 1031806941 /nfs/dbraw/zinc/80/69/41/1031806941.db2.gz GJKGMTGFJQONEW-SNVBAGLBSA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccsc3C(F)(F)F)n2)C1 ZINC000528154419 1031806949 /nfs/dbraw/zinc/80/69/49/1031806949.db2.gz GJKGMTGFJQONEW-SNVBAGLBSA-N 1 2 347.362 3.599 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccco1 ZINC000528145927 1031833781 /nfs/dbraw/zinc/83/37/81/1031833781.db2.gz JJNYTUVUHBJLIO-HNNXBMFYSA-N 1 2 339.395 3.687 20 0 EHADLO CCCc1nc(C[NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)no1 ZINC000484654766 1031848042 /nfs/dbraw/zinc/84/80/42/1031848042.db2.gz RTOQMCNZKSNYDM-RDJZCZTQSA-N 1 2 329.444 3.810 20 0 EHADLO c1ccc([C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)Cc3ccccc32)cc1 ZINC000180413152 1031850068 /nfs/dbraw/zinc/85/00/68/1031850068.db2.gz MNIZVHDUAJGEIT-LJQANCHMSA-N 1 2 330.435 3.830 20 0 EHADLO c1ccc([C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)Cc3ccccc32)cc1 ZINC000180413152 1031850079 /nfs/dbraw/zinc/85/00/79/1031850079.db2.gz MNIZVHDUAJGEIT-LJQANCHMSA-N 1 2 330.435 3.830 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180463044 1031857966 /nfs/dbraw/zinc/85/79/66/1031857966.db2.gz KQLJIPIYKDTQPL-BMRADRMJSA-N 1 2 335.451 3.579 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cnn1C ZINC000180322292 1031877733 /nfs/dbraw/zinc/87/77/33/1031877733.db2.gz IWHHNLKVMXPPCX-QRWLVFNGSA-N 1 2 348.450 3.759 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccnc(SC(C)(C)C)c2)n1 ZINC000904269442 1031897617 /nfs/dbraw/zinc/89/76/17/1031897617.db2.gz GLIQKDPBUUQEAJ-UHFFFAOYSA-N 1 2 341.440 3.975 20 0 EHADLO COc1ccc(C2(c3nc(-c4c[nH+]c(N)cc4C)no3)CCC2)cc1 ZINC000904269719 1031898615 /nfs/dbraw/zinc/89/86/15/1031898615.db2.gz QJRIWKDTGMMDSR-UHFFFAOYSA-N 1 2 336.395 3.501 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000904272126 1031899033 /nfs/dbraw/zinc/89/90/33/1031899033.db2.gz KQDAOQYLCAMWAV-ZJUUUORDSA-N 1 2 326.322 3.858 20 0 EHADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCC1 ZINC000448930303 1031904021 /nfs/dbraw/zinc/90/40/21/1031904021.db2.gz XHYIYURLWJYBCV-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1cccc(OCCCCc2nc(-c3ccc(N)[nH+]c3C)no2)c1 ZINC000904257956 1031905129 /nfs/dbraw/zinc/90/51/29/1031905129.db2.gz HAZJUHYXOXMQLG-UHFFFAOYSA-N 1 2 338.411 3.732 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccccc2N2CCCCC2)n1 ZINC000904261848 1031908023 /nfs/dbraw/zinc/90/80/23/1031908023.db2.gz PTVBDSVDBRPDKA-UHFFFAOYSA-N 1 2 335.411 3.680 20 0 EHADLO CCCn1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000180838524 1031912400 /nfs/dbraw/zinc/91/24/00/1031912400.db2.gz KUJXSQCAAQXTOH-UHFFFAOYSA-N 1 2 349.438 3.745 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000180840852 1031912736 /nfs/dbraw/zinc/91/27/36/1031912736.db2.gz LVVLFMBBCFMNLB-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000180840852 1031912750 /nfs/dbraw/zinc/91/27/50/1031912750.db2.gz LVVLFMBBCFMNLB-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)cc[nH+]c12 ZINC000528218805 1031957717 /nfs/dbraw/zinc/95/77/17/1031957717.db2.gz JCNDUPISVCLKKU-IYPVNNRCSA-N 1 2 344.480 3.513 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347478115 1031977914 /nfs/dbraw/zinc/97/79/14/1031977914.db2.gz FBCFEAZHSUAZCT-FUHWJXTLSA-N 1 2 325.456 3.710 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387318 1031983277 /nfs/dbraw/zinc/98/32/77/1031983277.db2.gz RGEGIJCWNDGZBN-GUYCJALGSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387318 1031983288 /nfs/dbraw/zinc/98/32/88/1031983288.db2.gz RGEGIJCWNDGZBN-GUYCJALGSA-N 1 2 328.435 3.805 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477587 1031995391 /nfs/dbraw/zinc/99/53/91/1031995391.db2.gz XELJIPNFALEGHX-IAGOWNOFSA-N 1 2 346.519 3.906 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477587 1031995400 /nfs/dbraw/zinc/99/54/00/1031995400.db2.gz XELJIPNFALEGHX-IAGOWNOFSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(O)c1 ZINC000181541238 1032001435 /nfs/dbraw/zinc/00/14/35/1032001435.db2.gz RQETXYDMOCSMMW-LLVKDONJSA-N 1 2 329.787 3.946 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000455810197 1032014292 /nfs/dbraw/zinc/01/42/92/1032014292.db2.gz CRLDLFCXYODGKN-UHFFFAOYSA-N 1 2 340.427 3.660 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000455810197 1032014307 /nfs/dbraw/zinc/01/43/07/1032014307.db2.gz CRLDLFCXYODGKN-UHFFFAOYSA-N 1 2 340.427 3.660 20 0 EHADLO C[N@H+](Cc1ccncc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000449013891 1032023262 /nfs/dbraw/zinc/02/32/62/1032023262.db2.gz MZXAARVCLCNOAG-HZPDHXFCSA-N 1 2 341.213 3.618 20 0 EHADLO C[N@@H+](Cc1ccncc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000449013891 1032023270 /nfs/dbraw/zinc/02/32/70/1032023270.db2.gz MZXAARVCLCNOAG-HZPDHXFCSA-N 1 2 341.213 3.618 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC(C)(C)c1ccccc1 ZINC000369361872 1032044452 /nfs/dbraw/zinc/04/44/52/1032044452.db2.gz IMFJPBIDYPVBOQ-UHFFFAOYSA-N 1 2 325.456 3.546 20 0 EHADLO Clc1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000584273625 1032048755 /nfs/dbraw/zinc/04/87/55/1032048755.db2.gz OWLFDZVLIDMMFR-UHFFFAOYSA-N 1 2 347.846 3.925 20 0 EHADLO Clc1ccc(-c2nnc(C[N@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000584273625 1032048768 /nfs/dbraw/zinc/04/87/68/1032048768.db2.gz OWLFDZVLIDMMFR-UHFFFAOYSA-N 1 2 347.846 3.925 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CC[C@H](C)C1 ZINC000484889189 1032055100 /nfs/dbraw/zinc/05/51/00/1032055100.db2.gz RVDRISKQTVYAGW-YJBOKZPZSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CC[C@H](C)C1 ZINC000484889189 1032055114 /nfs/dbraw/zinc/05/51/14/1032055114.db2.gz RVDRISKQTVYAGW-YJBOKZPZSA-N 1 2 343.471 3.606 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000529039052 1033305681 /nfs/dbraw/zinc/30/56/81/1033305681.db2.gz HMNNOOAZONIMRM-GJZGRUSLSA-N 1 2 332.469 3.740 20 0 EHADLO O=C(c1cccc2ccsc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000545216594 1033366168 /nfs/dbraw/zinc/36/61/68/1033366168.db2.gz MZGKTWJKPJRZLP-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1Cc1cc[nH]n1 ZINC000685477396 1033381210 /nfs/dbraw/zinc/38/12/10/1033381210.db2.gz PJGPPXDRUHNTHT-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1Cc1cc[nH]n1 ZINC000685477396 1033381227 /nfs/dbraw/zinc/38/12/27/1033381227.db2.gz PJGPPXDRUHNTHT-BETUJISGSA-N 1 2 338.377 3.528 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2sc(C)cc2OC)n1 ZINC000898313282 1033450269 /nfs/dbraw/zinc/45/02/69/1033450269.db2.gz WRKDJITZPHASIG-UHFFFAOYSA-N 1 2 339.486 3.616 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000608125137 1033483513 /nfs/dbraw/zinc/48/35/13/1033483513.db2.gz DNTIMKMILHMNTL-UHFFFAOYSA-N 1 2 348.402 3.807 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(F)c(F)c1 ZINC000044437996 1033494514 /nfs/dbraw/zinc/49/45/14/1033494514.db2.gz SVWKOOOBIQIFPZ-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(F)c(F)c1 ZINC000044437996 1033494529 /nfs/dbraw/zinc/49/45/29/1033494529.db2.gz SVWKOOOBIQIFPZ-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000537516712 1033546603 /nfs/dbraw/zinc/54/66/03/1033546603.db2.gz HBLQWQVKUAIOAV-XOBRGWDASA-N 1 2 345.389 4.000 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000537516712 1033546609 /nfs/dbraw/zinc/54/66/09/1033546609.db2.gz HBLQWQVKUAIOAV-XOBRGWDASA-N 1 2 345.389 4.000 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000449998673 1033548736 /nfs/dbraw/zinc/54/87/36/1033548736.db2.gz YQCFXMVALAYAIY-QYZOEREBSA-N 1 2 341.499 3.583 20 0 EHADLO Cc1nc2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2s1 ZINC000431610297 1033554874 /nfs/dbraw/zinc/55/48/74/1033554874.db2.gz POAFQXSZFBEPTH-UHFFFAOYSA-N 1 2 340.452 3.622 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000537526889 1033557149 /nfs/dbraw/zinc/55/71/49/1033557149.db2.gz BKURLFBSVBSEGW-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000537526889 1033557159 /nfs/dbraw/zinc/55/71/59/1033557159.db2.gz BKURLFBSVBSEGW-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC(C)(F)F ZINC000608246953 1033571841 /nfs/dbraw/zinc/57/18/41/1033571841.db2.gz OTQSZROLOQKAHV-UHFFFAOYSA-N 1 2 339.430 3.582 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@H]1c1cccc(F)c1 ZINC000472343448 1033577707 /nfs/dbraw/zinc/57/77/07/1033577707.db2.gz AIAGJTVQUMLAEY-ZUZCIYMTSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@H]1c1cccc(F)c1 ZINC000472343448 1033577719 /nfs/dbraw/zinc/57/77/19/1033577719.db2.gz AIAGJTVQUMLAEY-ZUZCIYMTSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677731776 1033614173 /nfs/dbraw/zinc/61/41/73/1033614173.db2.gz ODEARCQJPMUDQX-BDAKNGLRSA-N 1 2 337.197 3.907 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](C(F)F)C1 ZINC000677731776 1033614185 /nfs/dbraw/zinc/61/41/85/1033614185.db2.gz ODEARCQJPMUDQX-BDAKNGLRSA-N 1 2 337.197 3.907 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(SC(F)(F)F)cc1 ZINC000063706104 1033621496 /nfs/dbraw/zinc/62/14/96/1033621496.db2.gz DUXGVRUKDNHTGJ-UHFFFAOYSA-N 1 2 341.358 3.535 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000685619292 1033630603 /nfs/dbraw/zinc/63/06/03/1033630603.db2.gz FPJNMYNXUCPAHN-KRWDZBQOSA-N 1 2 336.357 3.687 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000685619292 1033630615 /nfs/dbraw/zinc/63/06/15/1033630615.db2.gz FPJNMYNXUCPAHN-KRWDZBQOSA-N 1 2 336.357 3.687 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)o1 ZINC000608371732 1033643121 /nfs/dbraw/zinc/64/31/21/1033643121.db2.gz GUEIPBBUQMYAJR-AWEZNQCLSA-N 1 2 341.411 3.793 20 0 EHADLO FC(F)(F)c1ccc(Cn2cc(CNc3cccc[nH+]3)cn2)cc1 ZINC000489795927 1033684746 /nfs/dbraw/zinc/68/47/46/1033684746.db2.gz IQNVHEUFTPRDDC-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO COc1ncc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c(C)n1 ZINC000574999147 1033743795 /nfs/dbraw/zinc/74/37/95/1033743795.db2.gz WDNKNIZTHIFHLU-UHFFFAOYSA-N 1 2 327.403 3.612 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000081370619 1033746050 /nfs/dbraw/zinc/74/60/50/1033746050.db2.gz DRTDSDWERYMJHT-QFIPXVFZSA-N 1 2 341.414 3.942 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315974 1033748802 /nfs/dbraw/zinc/74/88/02/1033748802.db2.gz KHAYMABFVWXTJL-PXNSSMCTSA-N 1 2 347.462 3.699 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000608553361 1033758297 /nfs/dbraw/zinc/75/82/97/1033758297.db2.gz FISPGSKEBJMQDX-FQEVSTJZSA-N 1 2 345.446 3.623 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](OC)C2CCCCC2)n1 ZINC000595351593 1033777101 /nfs/dbraw/zinc/77/71/01/1033777101.db2.gz MDVVDTVLFLGAQM-HIFRSBDPSA-N 1 2 341.521 3.911 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](OC)C2CCCCC2)n1 ZINC000595351593 1033777114 /nfs/dbraw/zinc/77/71/14/1033777114.db2.gz MDVVDTVLFLGAQM-HIFRSBDPSA-N 1 2 341.521 3.911 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](CC)c1ccccc1OCC ZINC000595411400 1033789718 /nfs/dbraw/zinc/78/97/18/1033789718.db2.gz IQJJVZSLRQPZGS-HNNXBMFYSA-N 1 2 345.443 3.534 20 0 EHADLO CCCCCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174197584 1033801097 /nfs/dbraw/zinc/80/10/97/1033801097.db2.gz ULJJMDPLEMQFGI-UHFFFAOYSA-N 1 2 331.504 3.808 20 0 EHADLO Cc1nc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000595441871 1033804314 /nfs/dbraw/zinc/80/43/14/1033804314.db2.gz ORBMXFBFAGZFIK-XIRDDKMYSA-N 1 2 334.460 3.766 20 0 EHADLO Cc1nc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000595441871 1033804318 /nfs/dbraw/zinc/80/43/18/1033804318.db2.gz ORBMXFBFAGZFIK-XIRDDKMYSA-N 1 2 334.460 3.766 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151376 1033814731 /nfs/dbraw/zinc/81/47/31/1033814731.db2.gz XTULEECBICJEOG-KSSFIOAISA-N 1 2 330.472 3.816 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151376 1033814748 /nfs/dbraw/zinc/81/47/48/1033814748.db2.gz XTULEECBICJEOG-KSSFIOAISA-N 1 2 330.472 3.816 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608675507 1033828027 /nfs/dbraw/zinc/82/80/27/1033828027.db2.gz FSQYZEHXGSVDNB-KBAYOESNSA-N 1 2 340.471 3.582 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)co2)C1 ZINC001232854689 1033865977 /nfs/dbraw/zinc/86/59/77/1033865977.db2.gz PFUJOQJHKRVZKS-NSHDSACASA-N 1 2 344.249 3.596 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)co2)C1 ZINC001232854689 1033865989 /nfs/dbraw/zinc/86/59/89/1033865989.db2.gz PFUJOQJHKRVZKS-NSHDSACASA-N 1 2 344.249 3.596 20 0 EHADLO c1cn(CCCc2nc(-c3ccc(N4CCCCC4)cc3)no2)c[nH+]1 ZINC000608761267 1033874366 /nfs/dbraw/zinc/87/43/66/1033874366.db2.gz CTXFKHHGEHVJMG-UHFFFAOYSA-N 1 2 337.427 3.556 20 0 EHADLO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603784854 1033915858 /nfs/dbraw/zinc/91/58/58/1033915858.db2.gz ATWFOCBNDKHOOO-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450225541 1033936886 /nfs/dbraw/zinc/93/68/86/1033936886.db2.gz GVKJYJIHMCPKNG-OAHLLOKOSA-N 1 2 327.325 3.922 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450225541 1033936899 /nfs/dbraw/zinc/93/68/99/1033936899.db2.gz GVKJYJIHMCPKNG-OAHLLOKOSA-N 1 2 327.325 3.922 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cc2[nH+]1 ZINC000055229836 1033939103 /nfs/dbraw/zinc/93/91/03/1033939103.db2.gz UGFDUWOWLXTBMP-UHFFFAOYSA-N 1 2 331.379 3.684 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000603809274 1033939556 /nfs/dbraw/zinc/93/95/56/1033939556.db2.gz XGYZXGIDQVUVEY-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000450236429 1033957974 /nfs/dbraw/zinc/95/79/74/1033957974.db2.gz BINHSGICROYFGE-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000450236429 1033957983 /nfs/dbraw/zinc/95/79/83/1033957983.db2.gz BINHSGICROYFGE-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO Cn1cnnc1[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450239467 1033961927 /nfs/dbraw/zinc/96/19/27/1033961927.db2.gz DUBFQNHYJZLJOA-NSHDSACASA-N 1 2 345.809 3.540 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000603883924 1034006543 /nfs/dbraw/zinc/00/65/43/1034006543.db2.gz KDVGMEJTTWNZJC-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120649231 1034010999 /nfs/dbraw/zinc/01/09/99/1034010999.db2.gz KBKUVGUTSCFEMZ-RDJZCZTQSA-N 1 2 342.464 3.551 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000599577487 1034020925 /nfs/dbraw/zinc/02/09/25/1034020925.db2.gz VAKTXFAUQKWWQU-MRXNPFEDSA-N 1 2 340.471 3.909 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000599577487 1034020938 /nfs/dbraw/zinc/02/09/38/1034020938.db2.gz VAKTXFAUQKWWQU-MRXNPFEDSA-N 1 2 340.471 3.909 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1Cl ZINC000450271551 1034024152 /nfs/dbraw/zinc/02/41/52/1034024152.db2.gz RGBJWZMFIGMMSZ-AWEZNQCLSA-N 1 2 334.803 3.760 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1Cl ZINC000450271551 1034024166 /nfs/dbraw/zinc/02/41/66/1034024166.db2.gz RGBJWZMFIGMMSZ-AWEZNQCLSA-N 1 2 334.803 3.760 20 0 EHADLO COc1ccc(OC)c(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000120684759 1034026300 /nfs/dbraw/zinc/02/63/00/1034026300.db2.gz MDTWEQHQSKYQRF-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000120684759 1034026310 /nfs/dbraw/zinc/02/63/10/1034026310.db2.gz MDTWEQHQSKYQRF-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591804 1034031409 /nfs/dbraw/zinc/03/14/09/1034031409.db2.gz WBBYTRPQPAXEQK-MAUKXSAKSA-N 1 2 347.503 3.798 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591804 1034031428 /nfs/dbraw/zinc/03/14/28/1034031428.db2.gz WBBYTRPQPAXEQK-MAUKXSAKSA-N 1 2 347.503 3.798 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000658177969 1034044407 /nfs/dbraw/zinc/04/44/07/1034044407.db2.gz YDIZOMPPZCNISP-SNVBAGLBSA-N 1 2 333.486 3.642 20 0 EHADLO Cc1c(CNC(=O)CCc2c[nH]c[nH+]2)sc2ccc(Cl)cc12 ZINC000516989554 1034057552 /nfs/dbraw/zinc/05/75/52/1034057552.db2.gz STQLSSQRVNEXPE-UHFFFAOYSA-N 1 2 333.844 3.835 20 0 EHADLO Cc1c(CNC(=O)CCc2c[nH+]c[nH]2)sc2ccc(Cl)cc12 ZINC000516989554 1034057569 /nfs/dbraw/zinc/05/75/69/1034057569.db2.gz STQLSSQRVNEXPE-UHFFFAOYSA-N 1 2 333.844 3.835 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339213165 1034057909 /nfs/dbraw/zinc/05/79/09/1034057909.db2.gz WAHLSXHWZBRHFI-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339213165 1034057922 /nfs/dbraw/zinc/05/79/22/1034057922.db2.gz WAHLSXHWZBRHFI-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO Fc1cccc2nc(N3CCC[N@H+](Cc4cscn4)CC3)sc21 ZINC000450307703 1034077071 /nfs/dbraw/zinc/07/70/71/1034077071.db2.gz HOOWPHOHKHYODB-UHFFFAOYSA-N 1 2 348.472 3.604 20 0 EHADLO Fc1cccc2nc(N3CCC[N@@H+](Cc4cscn4)CC3)sc21 ZINC000450307703 1034077089 /nfs/dbraw/zinc/07/70/89/1034077089.db2.gz HOOWPHOHKHYODB-UHFFFAOYSA-N 1 2 348.472 3.604 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000421746015 1034083794 /nfs/dbraw/zinc/08/37/94/1034083794.db2.gz ZWUXIUOAJXKCKY-SWLSCSKDSA-N 1 2 336.838 3.532 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000596188273 1034104683 /nfs/dbraw/zinc/10/46/83/1034104683.db2.gz VHEHVPMQXUTHQN-XIKOKIGWSA-N 1 2 348.830 3.639 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000596188271 1034104973 /nfs/dbraw/zinc/10/49/73/1034104973.db2.gz VHEHVPMQXUTHQN-KZULUSFZSA-N 1 2 348.830 3.639 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000596164335 1034113119 /nfs/dbraw/zinc/11/31/19/1034113119.db2.gz FMPSGDNEWBRHLF-OAHLLOKOSA-N 1 2 344.386 3.651 20 0 EHADLO CCS[C@H](C)c1noc(COc2ccc3c(c2)[nH+]c(C)n3C)n1 ZINC000596286127 1034143354 /nfs/dbraw/zinc/14/33/54/1034143354.db2.gz SOQFNFVWPKWTHO-SNVBAGLBSA-N 1 2 332.429 3.658 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000658268397 1034148487 /nfs/dbraw/zinc/14/84/87/1034148487.db2.gz NFJWVQVNTKUURM-OAQYLSRUSA-N 1 2 332.451 3.962 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450334956 1034163852 /nfs/dbraw/zinc/16/38/52/1034163852.db2.gz VPZNKMHQFYVRGC-ZDUSSCGKSA-N 1 2 327.457 3.554 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450334956 1034163859 /nfs/dbraw/zinc/16/38/59/1034163859.db2.gz VPZNKMHQFYVRGC-ZDUSSCGKSA-N 1 2 327.457 3.554 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529535978 1034164285 /nfs/dbraw/zinc/16/42/85/1034164285.db2.gz VHAOUNVNQSOFMT-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529535978 1034164295 /nfs/dbraw/zinc/16/42/95/1034164295.db2.gz VHAOUNVNQSOFMT-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529554497 1034186483 /nfs/dbraw/zinc/18/64/83/1034186483.db2.gz CADYXLANSVOAQU-GXTWGEPZSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529554497 1034186490 /nfs/dbraw/zinc/18/64/90/1034186490.db2.gz CADYXLANSVOAQU-GXTWGEPZSA-N 1 2 335.391 3.537 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccsc1C(F)(F)F)C[C@H](C)O2 ZINC000529554445 1034187001 /nfs/dbraw/zinc/18/70/01/1034187001.db2.gz BCIXYGPXSZOQNQ-XUJVJEKNSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@H](C)O2 ZINC000529554445 1034187006 /nfs/dbraw/zinc/18/70/06/1034187006.db2.gz BCIXYGPXSZOQNQ-XUJVJEKNSA-N 1 2 349.418 3.925 20 0 EHADLO CO[C@@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000596373257 1034210314 /nfs/dbraw/zinc/21/03/14/1034210314.db2.gz OZOGMNCHHFQDAU-IBGZPJMESA-N 1 2 335.513 3.567 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000529567578 1034223106 /nfs/dbraw/zinc/22/31/06/1034223106.db2.gz VGBMWHBPWNNCOE-SFHVURJKSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000450392490 1034229627 /nfs/dbraw/zinc/22/96/27/1034229627.db2.gz OLXDZCRBJMUVKY-SNVBAGLBSA-N 1 2 326.263 3.536 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000450392490 1034229635 /nfs/dbraw/zinc/22/96/35/1034229635.db2.gz OLXDZCRBJMUVKY-SNVBAGLBSA-N 1 2 326.263 3.536 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000529594724 1034237140 /nfs/dbraw/zinc/23/71/40/1034237140.db2.gz ADSXDZDDAJYOFW-DOMZBBRYSA-N 1 2 325.225 3.604 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000529594724 1034237152 /nfs/dbraw/zinc/23/71/52/1034237152.db2.gz ADSXDZDDAJYOFW-DOMZBBRYSA-N 1 2 325.225 3.604 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(Cl)cc1F ZINC000179396019 1034280490 /nfs/dbraw/zinc/28/04/90/1034280490.db2.gz YPOQAAPSTZOJOI-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO CSc1cccc(N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000101870053 1034296444 /nfs/dbraw/zinc/29/64/44/1034296444.db2.gz GQFDDGKQQNWICM-UHFFFAOYSA-N 1 2 337.448 3.930 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000529612859 1034298903 /nfs/dbraw/zinc/29/89/03/1034298903.db2.gz BEEDLEBWWRDBCR-UHFFFAOYSA-N 1 2 337.467 3.878 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450450197 1034353037 /nfs/dbraw/zinc/35/30/37/1034353037.db2.gz DSVUSTDBFVGODQ-OAHLLOKOSA-N 1 2 326.366 3.511 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450450197 1034353050 /nfs/dbraw/zinc/35/30/50/1034353050.db2.gz DSVUSTDBFVGODQ-OAHLLOKOSA-N 1 2 326.366 3.511 20 0 EHADLO Cc1cc(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C)c[nH+]1 ZINC000548880045 1034357312 /nfs/dbraw/zinc/35/73/12/1034357312.db2.gz WYFCRUBUCPREEK-KZULUSFZSA-N 1 2 329.831 3.831 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453595 1034361680 /nfs/dbraw/zinc/36/16/80/1034361680.db2.gz JRMXJDZMJWHXRU-KSSFIOAISA-N 1 2 328.460 3.817 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453595 1034361694 /nfs/dbraw/zinc/36/16/94/1034361694.db2.gz JRMXJDZMJWHXRU-KSSFIOAISA-N 1 2 328.460 3.817 20 0 EHADLO O=C(CSC(F)(F)F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000060289951 1034364635 /nfs/dbraw/zinc/36/46/35/1034364635.db2.gz JDDVHRPMBSBQMM-UHFFFAOYSA-N 1 2 335.738 3.717 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000450496161 1034401303 /nfs/dbraw/zinc/40/13/03/1034401303.db2.gz CKKKFBHOGGEXFN-RYUDHWBXSA-N 1 2 334.514 3.814 20 0 EHADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000450496161 1034401306 /nfs/dbraw/zinc/40/13/06/1034401306.db2.gz CKKKFBHOGGEXFN-RYUDHWBXSA-N 1 2 334.514 3.814 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3cnc(C4CCC4)s3)CC2)cs1 ZINC000534332512 1034409428 /nfs/dbraw/zinc/40/94/28/1034409428.db2.gz CWHWIECBRPGKST-UHFFFAOYSA-N 1 2 333.526 3.790 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000586791189 1034413164 /nfs/dbraw/zinc/41/31/64/1034413164.db2.gz JALOHMSXSFIKCP-SSDOTTSWSA-N 1 2 347.333 3.942 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000529696564 1034440399 /nfs/dbraw/zinc/44/03/99/1034440399.db2.gz KMGLUVGAHJGBCN-CYBMUJFWSA-N 1 2 349.837 3.927 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Cl)c1 ZINC000529695872 1034441570 /nfs/dbraw/zinc/44/15/70/1034441570.db2.gz GTHMZLGBHBGSKV-ZDUSSCGKSA-N 1 2 349.837 3.927 20 0 EHADLO CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450511258 1034447663 /nfs/dbraw/zinc/44/76/63/1034447663.db2.gz AVDYHALGBNBTOZ-QFYYESIMSA-N 1 2 340.826 3.597 20 0 EHADLO Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000669719318 1034471018 /nfs/dbraw/zinc/47/10/18/1034471018.db2.gz JVCFGRDCXQBHBO-IBGZPJMESA-N 1 2 338.386 3.745 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121139358 1034471764 /nfs/dbraw/zinc/47/17/64/1034471764.db2.gz KKOITPSRLNGCSZ-FUHWJXTLSA-N 1 2 342.464 3.632 20 0 EHADLO FC(F)Sc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179556684 1034498857 /nfs/dbraw/zinc/49/88/57/1034498857.db2.gz KFXVFKDLIJHTEI-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO FC(F)Sc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000179556684 1034498863 /nfs/dbraw/zinc/49/88/63/1034498863.db2.gz KFXVFKDLIJHTEI-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO C[C@H](O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547857 1034506029 /nfs/dbraw/zinc/50/60/29/1034506029.db2.gz FBAKGXHRAPIIKA-NHYWBVRUSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547857 1034506045 /nfs/dbraw/zinc/50/60/45/1034506045.db2.gz FBAKGXHRAPIIKA-NHYWBVRUSA-N 1 2 345.270 3.557 20 0 EHADLO CCCc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604839550 1034522342 /nfs/dbraw/zinc/52/23/42/1034522342.db2.gz ULVKAJNGYJWHLF-UHFFFAOYSA-N 1 2 341.436 3.626 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC(C)(C)Cc3ccccc3)[nH+]c12 ZINC000604960243 1034562368 /nfs/dbraw/zinc/56/23/68/1034562368.db2.gz UUYMZOYNQNRQAU-UHFFFAOYSA-N 1 2 335.451 3.570 20 0 EHADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000597157548 1034568528 /nfs/dbraw/zinc/56/85/28/1034568528.db2.gz GUXKBSACGRLMKU-LLVKDONJSA-N 1 2 330.478 3.892 20 0 EHADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000597157548 1034568535 /nfs/dbraw/zinc/56/85/35/1034568535.db2.gz GUXKBSACGRLMKU-LLVKDONJSA-N 1 2 330.478 3.892 20 0 EHADLO CCCCn1c(SCC[C@H]2CCOC2)nnc1[C@@H](CC)[NH+](C)C ZINC000450596216 1034568720 /nfs/dbraw/zinc/56/87/20/1034568720.db2.gz SMWIEWAUPFTBIV-HUUCEWRRSA-N 1 2 340.537 3.610 20 0 EHADLO C[C@H]1[C@@H](CO)CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000413600666 1034571543 /nfs/dbraw/zinc/57/15/43/1034571543.db2.gz YYUWPOBEUSPRPO-NWDGAFQWSA-N 1 2 335.245 3.595 20 0 EHADLO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)[nH]n1 ZINC000121258140 1034600505 /nfs/dbraw/zinc/60/05/05/1034600505.db2.gz GSPMWCOKSKATOQ-SFHVURJKSA-N 1 2 348.450 3.763 20 0 EHADLO c1cc([C@H]2CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)[nH]n1 ZINC000121258140 1034600511 /nfs/dbraw/zinc/60/05/11/1034600511.db2.gz GSPMWCOKSKATOQ-SFHVURJKSA-N 1 2 348.450 3.763 20 0 EHADLO O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529827199 1034607286 /nfs/dbraw/zinc/60/72/86/1034607286.db2.gz VAMJAYKMZQVCCC-IBGZPJMESA-N 1 2 332.407 3.539 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)on1 ZINC000150773888 1034619476 /nfs/dbraw/zinc/61/94/76/1034619476.db2.gz CNVBNGDPLBTIME-UHFFFAOYSA-N 1 2 343.427 3.570 20 0 EHADLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000534544846 1034643359 /nfs/dbraw/zinc/64/33/59/1034643359.db2.gz CCRCEZZFHZSWRB-UHFFFAOYSA-N 1 2 327.390 3.966 20 0 EHADLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000534544846 1034643366 /nfs/dbraw/zinc/64/33/66/1034643366.db2.gz CCRCEZZFHZSWRB-UHFFFAOYSA-N 1 2 327.390 3.966 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450671737 1034674161 /nfs/dbraw/zinc/67/41/61/1034674161.db2.gz WRUPENFYVJDMFY-LBPRGKRZSA-N 1 2 327.350 3.695 20 0 EHADLO CC[C@H](C)[C@@H]([NH2+]Cc1nc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000450680023 1034677704 /nfs/dbraw/zinc/67/77/04/1034677704.db2.gz LENCTGOXRMPMDO-MEDUHNTESA-N 1 2 336.819 3.992 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2cnc(Cl)s2)CC1 ZINC000375841414 1034690131 /nfs/dbraw/zinc/69/01/31/1034690131.db2.gz RXHDUSZAUMOLHT-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2cnc(Cl)s2)CC1 ZINC000375841414 1034690134 /nfs/dbraw/zinc/69/01/34/1034690134.db2.gz RXHDUSZAUMOLHT-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1OC1CC1)c1cn(-c2ccccc2)nn1 ZINC000450735150 1034741052 /nfs/dbraw/zinc/74/10/52/1034741052.db2.gz FCLWKLXQWJYVCI-HNNXBMFYSA-N 1 2 334.423 3.659 20 0 EHADLO CC(C)(C)C1CC[NH+](Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000172013446 1034773589 /nfs/dbraw/zinc/77/35/89/1034773589.db2.gz CQUKRMITUCXHJP-UHFFFAOYSA-N 1 2 331.485 3.687 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c[nH+]1 ZINC000456832045 1034774582 /nfs/dbraw/zinc/77/45/82/1034774582.db2.gz FOBJXODDSOPYEY-UHFFFAOYSA-N 1 2 340.423 3.584 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c[nH+]1 ZINC000456836880 1034781134 /nfs/dbraw/zinc/78/11/34/1034781134.db2.gz BMSVZMOJUGIRJU-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324508 1034785674 /nfs/dbraw/zinc/78/56/74/1034785674.db2.gz BJRJEUYWARTYQX-SJLPKXTDSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324509 1034785953 /nfs/dbraw/zinc/78/59/53/1034785953.db2.gz BJRJEUYWARTYQX-WMZOPIPTSA-N 1 2 344.503 3.792 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456844146 1034791067 /nfs/dbraw/zinc/79/10/67/1034791067.db2.gz HQZHQQZTSUODGY-AWEZNQCLSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000529938308 1034795323 /nfs/dbraw/zinc/79/53/23/1034795323.db2.gz KYIUJDDZOUOFJM-UHFFFAOYSA-N 1 2 329.831 3.538 20 0 EHADLO Cc1cccc(Cl)c1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000450781118 1034808512 /nfs/dbraw/zinc/80/85/12/1034808512.db2.gz ZENGHQHRSIEIND-CQSZACIVSA-N 1 2 335.904 3.984 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000601936647 1034814685 /nfs/dbraw/zinc/81/46/85/1034814685.db2.gz XBPPOJYMHBHNHB-CHWSQXEVSA-N 1 2 332.400 3.660 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000605660749 1034815395 /nfs/dbraw/zinc/81/53/95/1034815395.db2.gz DPBLVIABRXCIBH-INIZCTEOSA-N 1 2 331.847 3.678 20 0 EHADLO Cc1ccc(-c2cnc(CCC(=O)NCc3c[nH+]c(C)cc3C)o2)cc1 ZINC000456857935 1034816386 /nfs/dbraw/zinc/81/63/86/1034816386.db2.gz LHGYWSSSKQWFJR-UHFFFAOYSA-N 1 2 349.434 3.911 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172231090 1034866003 /nfs/dbraw/zinc/86/60/03/1034866003.db2.gz MQQSJJQQMOHESO-KRWDZBQOSA-N 1 2 333.435 3.991 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000530036782 1034889063 /nfs/dbraw/zinc/88/90/63/1034889063.db2.gz FHBSJHSTUSYNTN-RHSMWYFYSA-N 1 2 329.419 3.768 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](c4cc(C)cc(C)c4)C3)ccn12 ZINC000569939154 1034902755 /nfs/dbraw/zinc/90/27/55/1034902755.db2.gz KKCLBDWEUKIKPV-SFHVURJKSA-N 1 2 333.435 3.889 20 0 EHADLO CSc1ccccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375929050 1034951083 /nfs/dbraw/zinc/95/10/83/1034951083.db2.gz CQTJAIZNIHOTNS-UHFFFAOYSA-N 1 2 330.457 3.605 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000065941234 1034981238 /nfs/dbraw/zinc/98/12/38/1034981238.db2.gz SBVOYFWIBGCGGE-UHFFFAOYSA-N 1 2 338.361 3.789 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000065941234 1034981241 /nfs/dbraw/zinc/98/12/41/1034981241.db2.gz SBVOYFWIBGCGGE-UHFFFAOYSA-N 1 2 338.361 3.789 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451028806 1035050026 /nfs/dbraw/zinc/05/00/26/1035050026.db2.gz ZKPKLXWGHWSMRU-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451028806 1035050032 /nfs/dbraw/zinc/05/00/32/1035050032.db2.gz ZKPKLXWGHWSMRU-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000668781687 1035156597 /nfs/dbraw/zinc/15/65/97/1035156597.db2.gz BWOMQBOQZZLOLY-IPJUCJBFSA-N 1 2 341.499 3.503 20 0 EHADLO CC[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1nccs1 ZINC000376056085 1035193153 /nfs/dbraw/zinc/19/31/53/1035193153.db2.gz MQYXVDIKOBFTIS-KZULUSFZSA-N 1 2 346.500 3.536 20 0 EHADLO CC[C@@](C)(NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1nccs1 ZINC000376056085 1035193157 /nfs/dbraw/zinc/19/31/57/1035193157.db2.gz MQYXVDIKOBFTIS-KZULUSFZSA-N 1 2 346.500 3.536 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376069649 1035211511 /nfs/dbraw/zinc/21/15/11/1035211511.db2.gz RASZPTJIFVZYIV-JKSUJKDBSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376069649 1035211516 /nfs/dbraw/zinc/21/15/16/1035211516.db2.gz RASZPTJIFVZYIV-JKSUJKDBSA-N 1 2 331.504 3.923 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC2(C)C)c(C)c1 ZINC000612795583 1035230656 /nfs/dbraw/zinc/23/06/56/1035230656.db2.gz ANGWCXVYCSEMRL-QZTJIDSGSA-N 1 2 325.456 3.794 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000612823043 1035246623 /nfs/dbraw/zinc/24/66/23/1035246623.db2.gz SCTCNPFYSHEZCU-UHFFFAOYSA-N 1 2 340.471 3.814 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613000170 1035346164 /nfs/dbraw/zinc/34/61/64/1035346164.db2.gz AJAJGIZLXHURPY-MGPQQGTHSA-N 1 2 346.500 3.632 20 0 EHADLO Fc1cc(Br)cc(Cl)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218007044 1035359889 /nfs/dbraw/zinc/35/98/89/1035359889.db2.gz PFNDZCRGYIDXPL-SECBINFHSA-N 1 2 344.558 3.618 20 0 EHADLO CSc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000685835871 1035373028 /nfs/dbraw/zinc/37/30/28/1035373028.db2.gz GJZQVOLHDRHHHB-UHFFFAOYSA-N 1 2 342.436 3.819 20 0 EHADLO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000685835871 1035373032 /nfs/dbraw/zinc/37/30/32/1035373032.db2.gz GJZQVOLHDRHHHB-UHFFFAOYSA-N 1 2 342.436 3.819 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)C1CCCCC1 ZINC000177834405 1035410407 /nfs/dbraw/zinc/41/04/07/1035410407.db2.gz APHCKTUZZAMMLK-CQSZACIVSA-N 1 2 337.895 3.737 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)C1CCCCC1 ZINC000177834405 1035410410 /nfs/dbraw/zinc/41/04/10/1035410410.db2.gz APHCKTUZZAMMLK-CQSZACIVSA-N 1 2 337.895 3.737 20 0 EHADLO Cc1cnn([C@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)c1 ZINC000685852398 1035420260 /nfs/dbraw/zinc/42/02/60/1035420260.db2.gz KXQPSAYVQCJQTF-LBPRGKRZSA-N 1 2 341.789 3.893 20 0 EHADLO Cc1cnn([C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)c1 ZINC000685852398 1035420263 /nfs/dbraw/zinc/42/02/63/1035420263.db2.gz KXQPSAYVQCJQTF-LBPRGKRZSA-N 1 2 341.789 3.893 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000685854138 1035427514 /nfs/dbraw/zinc/42/75/14/1035427514.db2.gz UYEOBCDDQKURNA-ZDUSSCGKSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291777 1035437719 /nfs/dbraw/zinc/43/77/19/1035437719.db2.gz RNEFDHMLVGRNLB-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000545291777 1035437722 /nfs/dbraw/zinc/43/77/22/1035437722.db2.gz RNEFDHMLVGRNLB-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564201883 1035487731 /nfs/dbraw/zinc/48/77/31/1035487731.db2.gz YMGFCICIFODDRR-ZDUSSCGKSA-N 1 2 341.889 3.936 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)Nc1ccn2cc[nH+]c2c1 ZINC000571486980 1035505911 /nfs/dbraw/zinc/50/59/11/1035505911.db2.gz UTFLEHAWNNAORZ-UHFFFAOYSA-N 1 2 330.391 3.852 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2nc3ccc(OC)cc3s2)o1 ZINC000492221388 1035508982 /nfs/dbraw/zinc/50/89/82/1035508982.db2.gz BAYVTDAYJXCTLI-UHFFFAOYSA-N 1 2 331.441 3.844 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000492225578 1035512436 /nfs/dbraw/zinc/51/24/36/1035512436.db2.gz JILDGQWUMQFNGN-GTBONMDNSA-N 1 2 331.366 3.580 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(F)c(F)cc1F ZINC000185841592 1035520167 /nfs/dbraw/zinc/52/01/67/1035520167.db2.gz VIACNQIFEFTJKX-UHFFFAOYSA-N 1 2 335.329 3.712 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2cccc3ccccc23)C1 ZINC000492283174 1035558048 /nfs/dbraw/zinc/55/80/48/1035558048.db2.gz KBXWDUZFGSXVGJ-HJCTWCACSA-N 1 2 331.419 3.603 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000173673525 1035565695 /nfs/dbraw/zinc/56/56/95/1035565695.db2.gz SFMKBBJNVBTLIO-FQEVSTJZSA-N 1 2 344.503 3.794 20 0 EHADLO C[C@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000571645798 1035581419 /nfs/dbraw/zinc/58/14/19/1035581419.db2.gz IPDLEKZPHAXPBG-RISCZKNCSA-N 1 2 343.324 3.783 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431799932 1035584641 /nfs/dbraw/zinc/58/46/41/1035584641.db2.gz VHUCRJAVPXYBIZ-KPFFTGBYSA-N 1 2 337.467 3.654 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000186174555 1035595642 /nfs/dbraw/zinc/59/56/42/1035595642.db2.gz YOOFADAGXKAXJW-ZDUSSCGKSA-N 1 2 341.411 3.536 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000186174555 1035595656 /nfs/dbraw/zinc/59/56/56/1035595656.db2.gz YOOFADAGXKAXJW-ZDUSSCGKSA-N 1 2 341.411 3.536 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccn(C)n1 ZINC000414123145 1035632608 /nfs/dbraw/zinc/63/26/08/1035632608.db2.gz BMSGGTOHEFKASL-UWVGGRQHSA-N 1 2 326.213 3.734 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(-c2ccccc2)cc1 ZINC000178069752 1035642189 /nfs/dbraw/zinc/64/21/89/1035642189.db2.gz XHUBWUKZYKMQLP-UHFFFAOYSA-N 1 2 327.387 3.931 20 0 EHADLO CC1(C)COCC[N@@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000511491947 1035645493 /nfs/dbraw/zinc/64/54/93/1035645493.db2.gz ZTVDHVVYJHERRM-UHFFFAOYSA-N 1 2 328.239 3.880 20 0 EHADLO CC1(C)COCC[N@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000511491947 1035645500 /nfs/dbraw/zinc/64/55/00/1035645500.db2.gz ZTVDHVVYJHERRM-UHFFFAOYSA-N 1 2 328.239 3.880 20 0 EHADLO CC1(C)CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000173816068 1035648205 /nfs/dbraw/zinc/64/82/05/1035648205.db2.gz PSFNAYMMWLCVFP-UHFFFAOYSA-N 1 2 339.464 3.884 20 0 EHADLO CC1(C)CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000173816068 1035648212 /nfs/dbraw/zinc/64/82/12/1035648212.db2.gz PSFNAYMMWLCVFP-UHFFFAOYSA-N 1 2 339.464 3.884 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457043139 1035652166 /nfs/dbraw/zinc/65/21/66/1035652166.db2.gz HAFCCWIHUZPNGO-GOEBONIOSA-N 1 2 325.456 3.824 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457043139 1035652170 /nfs/dbraw/zinc/65/21/70/1035652170.db2.gz HAFCCWIHUZPNGO-GOEBONIOSA-N 1 2 325.456 3.824 20 0 EHADLO O=C(C[N@@H+]1CCc2ccsc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000534863169 1035723239 /nfs/dbraw/zinc/72/32/39/1035723239.db2.gz AEZIJGQAVXFRPW-UHFFFAOYSA-N 1 2 340.370 3.764 20 0 EHADLO O=C(C[N@H+]1CCc2ccsc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000534863169 1035723254 /nfs/dbraw/zinc/72/32/54/1035723254.db2.gz AEZIJGQAVXFRPW-UHFFFAOYSA-N 1 2 340.370 3.764 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000613391481 1035737669 /nfs/dbraw/zinc/73/76/69/1035737669.db2.gz HFUVZYHPEXWNRJ-XAWIXRBMSA-N 1 2 341.430 3.505 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2cccc(OC(F)F)c2)c(C)[nH+]1 ZINC000187075898 1035751082 /nfs/dbraw/zinc/75/10/82/1035751082.db2.gz MLPPGAQXDLKILV-QFIPXVFZSA-N 1 2 325.380 3.749 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCSC12CCCCC2 ZINC000571775051 1035752288 /nfs/dbraw/zinc/75/22/88/1035752288.db2.gz PGROXPNWDGGVTA-UHFFFAOYSA-N 1 2 341.480 3.781 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(-c3ccccc3F)o2)c(C)[nH+]1 ZINC000187210020 1035785446 /nfs/dbraw/zinc/78/54/46/1035785446.db2.gz KOGWHZUXFKHZEZ-DEOSSOPVSA-N 1 2 344.411 3.941 20 0 EHADLO Cc1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187218828 1035788040 /nfs/dbraw/zinc/78/80/40/1035788040.db2.gz KFHAAHKINBBLNP-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1cnn(CCCCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187278616 1035801968 /nfs/dbraw/zinc/80/19/68/1035801968.db2.gz UEHAVRHCDMJIPE-LJQANCHMSA-N 1 2 349.425 3.714 20 0 EHADLO Cc1cnn(CCCCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187278616 1035801986 /nfs/dbraw/zinc/80/19/86/1035801986.db2.gz UEHAVRHCDMJIPE-LJQANCHMSA-N 1 2 349.425 3.714 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C)nc1C ZINC000187270416 1035802635 /nfs/dbraw/zinc/80/26/35/1035802635.db2.gz VHYCBVKLXMICTQ-UHFFFAOYSA-N 1 2 325.456 3.776 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C)nc1C ZINC000187270416 1035802659 /nfs/dbraw/zinc/80/26/59/1035802659.db2.gz VHYCBVKLXMICTQ-UHFFFAOYSA-N 1 2 325.456 3.776 20 0 EHADLO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000540986631 1035880353 /nfs/dbraw/zinc/88/03/53/1035880353.db2.gz XATSBAHKYDRBII-FOIQADDNSA-N 1 2 348.450 3.819 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000669272912 1035888365 /nfs/dbraw/zinc/88/83/65/1035888365.db2.gz IQWNKGBLNXYXTM-MJGOQNOKSA-N 1 2 325.456 3.739 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCCC2)c1 ZINC000588352184 1035908141 /nfs/dbraw/zinc/90/81/41/1035908141.db2.gz HISNKOZEEMKZDZ-UHFFFAOYSA-N 1 2 349.478 3.551 20 0 EHADLO Cc1cc(NC(=O)NCC2(c3ccc(F)cc3)CCC2)c(C)c[nH+]1 ZINC000535060109 1035942941 /nfs/dbraw/zinc/94/29/41/1035942941.db2.gz YBTOINHKICESLG-UHFFFAOYSA-N 1 2 327.403 3.503 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188522627 1035947364 /nfs/dbraw/zinc/94/73/64/1035947364.db2.gz AJXQJGWFHCMFBZ-NRFANRHFSA-N 1 2 345.402 3.994 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188522627 1035947373 /nfs/dbraw/zinc/94/73/73/1035947373.db2.gz AJXQJGWFHCMFBZ-NRFANRHFSA-N 1 2 345.402 3.994 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000541075723 1035957662 /nfs/dbraw/zinc/95/76/62/1035957662.db2.gz GDPKMNYWYIBYRS-OAHLLOKOSA-N 1 2 338.517 3.522 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572056592 1035961087 /nfs/dbraw/zinc/96/10/87/1035961087.db2.gz UZGSAEFGSHAKNP-CHWSQXEVSA-N 1 2 331.847 3.994 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572056592 1035961100 /nfs/dbraw/zinc/96/11/00/1035961100.db2.gz UZGSAEFGSHAKNP-CHWSQXEVSA-N 1 2 331.847 3.994 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613464362 1035961715 /nfs/dbraw/zinc/96/17/15/1035961715.db2.gz DVKAOTROJPHVNP-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613464362 1035961722 /nfs/dbraw/zinc/96/17/22/1035961722.db2.gz DVKAOTROJPHVNP-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613464365 1035962484 /nfs/dbraw/zinc/96/24/84/1035962484.db2.gz DVKAOTROJPHVNP-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000613464365 1035962504 /nfs/dbraw/zinc/96/25/04/1035962504.db2.gz DVKAOTROJPHVNP-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000463910254 1035964228 /nfs/dbraw/zinc/96/42/28/1035964228.db2.gz IXPKAVBDVBJKHI-ZFWWWQNUSA-N 1 2 333.501 3.817 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000613464640 1035968154 /nfs/dbraw/zinc/96/81/54/1035968154.db2.gz YCYNZSHTMMBCLJ-CABCVRRESA-N 1 2 344.430 3.705 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000613464640 1035968167 /nfs/dbraw/zinc/96/81/67/1035968167.db2.gz YCYNZSHTMMBCLJ-CABCVRRESA-N 1 2 344.430 3.705 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000535084713 1035976568 /nfs/dbraw/zinc/97/65/68/1035976568.db2.gz MSMWXURRGHSJGM-GOSISDBHSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000535084713 1035976582 /nfs/dbraw/zinc/97/65/82/1035976582.db2.gz MSMWXURRGHSJGM-GOSISDBHSA-N 1 2 346.496 3.895 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492557082 1035977916 /nfs/dbraw/zinc/97/79/16/1035977916.db2.gz GZYXOQPOKGGUSR-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492557082 1035977930 /nfs/dbraw/zinc/97/79/30/1035977930.db2.gz GZYXOQPOKGGUSR-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913945993 1035984617 /nfs/dbraw/zinc/98/46/17/1035984617.db2.gz DIFVTUWZYMBYQQ-AWEZNQCLSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913945993 1035984620 /nfs/dbraw/zinc/98/46/20/1035984620.db2.gz DIFVTUWZYMBYQQ-AWEZNQCLSA-N 1 2 326.444 3.972 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000188966587 1036020956 /nfs/dbraw/zinc/02/09/56/1036020956.db2.gz KXDVHYQPNRELTN-OAHLLOKOSA-N 1 2 347.507 3.663 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000414201503 1036026966 /nfs/dbraw/zinc/02/69/66/1036026966.db2.gz CELXZVLETPFMAM-INIZCTEOSA-N 1 2 337.471 3.865 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189188407 1036029108 /nfs/dbraw/zinc/02/91/08/1036029108.db2.gz QWYAPUDNACOUDS-SUMWQHHRSA-N 1 2 336.863 3.558 20 0 EHADLO COc1ccc(N(Cc2cccs2)C(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000572495155 1036117720 /nfs/dbraw/zinc/11/77/20/1036117720.db2.gz HOKOXXNHTWNRRE-HNNXBMFYSA-N 1 2 344.480 3.630 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCC3(C)C)cn2c1 ZINC000174963820 1036133416 /nfs/dbraw/zinc/13/34/16/1036133416.db2.gz KPQUEXFJLINCPP-OAHLLOKOSA-N 1 2 331.485 3.571 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@@H](O)C(F)(F)F ZINC000189878488 1036140656 /nfs/dbraw/zinc/14/06/56/1036140656.db2.gz BIEDSKLCXJXIRM-MRXNPFEDSA-N 1 2 342.336 3.633 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@@H](O)C(F)(F)F ZINC000189878488 1036140669 /nfs/dbraw/zinc/14/06/69/1036140669.db2.gz BIEDSKLCXJXIRM-MRXNPFEDSA-N 1 2 342.336 3.633 20 0 EHADLO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cscn1 ZINC000063591273 1036158731 /nfs/dbraw/zinc/15/87/31/1036158731.db2.gz GYOKGFBQNDSTBH-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cscn1 ZINC000063591273 1036158735 /nfs/dbraw/zinc/15/87/35/1036158735.db2.gz GYOKGFBQNDSTBH-UHFFFAOYSA-N 1 2 344.267 3.911 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000189859768 1036159100 /nfs/dbraw/zinc/15/91/00/1036159100.db2.gz BRYYZBLCESOVGM-UHFFFAOYSA-N 1 2 346.843 3.768 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000457514925 1036185037 /nfs/dbraw/zinc/18/50/37/1036185037.db2.gz GADHCVQWDQINCW-OLZOCXBDSA-N 1 2 346.368 3.619 20 0 EHADLO COc1ccc(Cl)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000190351711 1036226491 /nfs/dbraw/zinc/22/64/91/1036226491.db2.gz KXZULVCNYNKSKS-UHFFFAOYSA-N 1 2 346.858 3.793 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000376350271 1036231315 /nfs/dbraw/zinc/23/13/15/1036231315.db2.gz LERYZZSNMWEZCC-YJYMSZOUSA-N 1 2 339.439 3.744 20 0 EHADLO CC(C)c1cccc(CC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000457536905 1036233554 /nfs/dbraw/zinc/23/35/54/1036233554.db2.gz KQUHADKZBPKKMW-UHFFFAOYSA-N 1 2 325.456 3.756 20 0 EHADLO O=C(CCSCc1ccccn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000063915394 1036249538 /nfs/dbraw/zinc/24/95/38/1036249538.db2.gz AEEASKRSMSFURR-UHFFFAOYSA-N 1 2 338.436 3.529 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccs1 ZINC000532396506 1036277561 /nfs/dbraw/zinc/27/75/61/1036277561.db2.gz WVQZZKWNJBAOOM-OAHLLOKOSA-N 1 2 342.468 3.982 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535282564 1036280637 /nfs/dbraw/zinc/28/06/37/1036280637.db2.gz ABVZZCKHPCQYNA-ZDUSSCGKSA-N 1 2 340.389 3.621 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535282564 1036280656 /nfs/dbraw/zinc/28/06/56/1036280656.db2.gz ABVZZCKHPCQYNA-ZDUSSCGKSA-N 1 2 340.389 3.621 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000457588382 1036285681 /nfs/dbraw/zinc/28/56/81/1036285681.db2.gz WTBHXPUMQXLIMI-AWEZNQCLSA-N 1 2 333.863 3.558 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000056493830 1036329906 /nfs/dbraw/zinc/32/99/06/1036329906.db2.gz AXZGQYUDJJIRDG-MVGZEHJDSA-N 1 2 344.455 3.806 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CSc2ccc(C)cc2)c[nH+]1 ZINC000897418932 1036339999 /nfs/dbraw/zinc/33/99/99/1036339999.db2.gz RBWDPJUHLHYRRD-OAHLLOKOSA-N 1 2 331.485 3.532 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)(C)C ZINC000191337338 1036369682 /nfs/dbraw/zinc/36/96/82/1036369682.db2.gz WESWKMZRKPFFOE-CZUORRHYSA-N 1 2 344.507 3.847 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@@H]3CC=CCC3)cn2c1 ZINC000541496250 1036370773 /nfs/dbraw/zinc/37/07/73/1036370773.db2.gz JXUCBZVHIVFCNI-MRXNPFEDSA-N 1 2 343.496 3.691 20 0 EHADLO CCC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCC1 ZINC000457664636 1036372661 /nfs/dbraw/zinc/37/26/61/1036372661.db2.gz INFCHLZTHDASEC-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO CCC1=C(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCO1 ZINC000191453660 1036383897 /nfs/dbraw/zinc/38/38/97/1036383897.db2.gz WUUIDKRCJRJXQA-UHFFFAOYSA-N 1 2 343.471 3.553 20 0 EHADLO C[C@H]1CCCC[C@]1(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457679944 1036388839 /nfs/dbraw/zinc/38/88/39/1036388839.db2.gz PCZTXJFTHIVKAJ-JXFKEZNVSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(c2ccncc2)CC1 ZINC000191669839 1036402321 /nfs/dbraw/zinc/40/23/21/1036402321.db2.gz SGKKARZBXRSRKG-ZDUSSCGKSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000191571097 1036415620 /nfs/dbraw/zinc/41/56/20/1036415620.db2.gz NCAQDOUFOOOSRJ-LLVKDONJSA-N 1 2 343.406 3.747 20 0 EHADLO Cc1nc(CCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000175579857 1036440110 /nfs/dbraw/zinc/44/01/10/1036440110.db2.gz TZQZEKUSYZUZEY-UHFFFAOYSA-N 1 2 326.425 3.599 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000192030093 1036458704 /nfs/dbraw/zinc/45/87/04/1036458704.db2.gz BAOYBIAYVVAOTD-LJQANCHMSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000192030093 1036458714 /nfs/dbraw/zinc/45/87/14/1036458714.db2.gz BAOYBIAYVVAOTD-LJQANCHMSA-N 1 2 337.423 3.656 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669904874 1036465946 /nfs/dbraw/zinc/46/59/46/1036465946.db2.gz DFAQHUZHABKEBC-ZDUSSCGKSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1cc(C)cc(CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000669334907 1036524600 /nfs/dbraw/zinc/52/46/00/1036524600.db2.gz NDSBVWCNIRWQJH-HXUWFJFHSA-N 1 2 347.462 3.680 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000470909426 1036574853 /nfs/dbraw/zinc/57/48/53/1036574853.db2.gz RKZZCZOFOJOPTD-ZBEGNZNMSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000470909426 1036574863 /nfs/dbraw/zinc/57/48/63/1036574863.db2.gz RKZZCZOFOJOPTD-ZBEGNZNMSA-N 1 2 345.270 3.821 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000175833111 1036575716 /nfs/dbraw/zinc/57/57/16/1036575716.db2.gz FBLDELMQZRCDQL-SNVBAGLBSA-N 1 2 327.215 3.648 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@H](CO)c3c(F)cccc3F)cc2c1 ZINC001168393077 1036585393 /nfs/dbraw/zinc/58/53/93/1036585393.db2.gz NTHBNOOOGJOFOU-GOSISDBHSA-N 1 2 328.362 3.645 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)nnn1-c1ccc(F)cc1 ZINC000165497896 1036588673 /nfs/dbraw/zinc/58/86/73/1036588673.db2.gz LBSXBNHPKOPQQU-LLVKDONJSA-N 1 2 345.809 3.614 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+]Cc2nc(C)c(C)s2)cn1 ZINC000491246274 1036619662 /nfs/dbraw/zinc/61/96/62/1036619662.db2.gz DQGGPNCZZUGEBK-UHFFFAOYSA-N 1 2 340.452 3.515 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000176535211 1036639244 /nfs/dbraw/zinc/63/92/44/1036639244.db2.gz ZJLLVWUZPXOKGQ-QGZVFWFLSA-N 1 2 333.370 3.704 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000493074687 1036639570 /nfs/dbraw/zinc/63/95/70/1036639570.db2.gz VIBWDAIELSEVNK-AFNCTOJWSA-N 1 2 349.356 3.848 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3cc4ccccc4s3)[nH+]c12 ZINC000549063587 1036663846 /nfs/dbraw/zinc/66/38/46/1036663846.db2.gz SQLPCSMTSDENQA-UHFFFAOYSA-N 1 2 335.432 3.716 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000589956721 1036679739 /nfs/dbraw/zinc/67/97/39/1036679739.db2.gz HIUVOCQEIBIUIM-LBPRGKRZSA-N 1 2 329.400 3.783 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742683 1036714649 /nfs/dbraw/zinc/71/46/49/1036714649.db2.gz XNRAQJKULDUXPE-ACJLOTCBSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742683 1036714669 /nfs/dbraw/zinc/71/46/69/1036714669.db2.gz XNRAQJKULDUXPE-ACJLOTCBSA-N 1 2 330.378 3.986 20 0 EHADLO Oc1c(Cl)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC001140834204 1036748147 /nfs/dbraw/zinc/74/81/47/1036748147.db2.gz KHLSIFOMHKFPRA-ZDUSSCGKSA-N 1 2 329.271 3.759 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000428550795 1036789005 /nfs/dbraw/zinc/78/90/05/1036789005.db2.gz JCPBTFUOKCEFFJ-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ncc(CSC)s1 ZINC000590184415 1036790061 /nfs/dbraw/zinc/79/00/61/1036790061.db2.gz MBZMQJLLFMMAFD-AWEZNQCLSA-N 1 2 336.482 3.628 20 0 EHADLO CCC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCCC1 ZINC000464794562 1036811796 /nfs/dbraw/zinc/81/17/96/1036811796.db2.gz YFLAEHLXWQMKNM-UHFFFAOYSA-N 1 2 341.455 3.791 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000029438758 1036854473 /nfs/dbraw/zinc/85/44/73/1036854473.db2.gz PNFXOXPDBQWAKC-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@H](c2ccco2)C1 ZINC000464859720 1036916826 /nfs/dbraw/zinc/91/68/26/1036916826.db2.gz YLMTUEJLLPJSMV-LRDDRELGSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@H](c2ccco2)C1 ZINC000464859720 1036916838 /nfs/dbraw/zinc/91/68/38/1036916838.db2.gz YLMTUEJLLPJSMV-LRDDRELGSA-N 1 2 334.366 3.970 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177760473 1036928840 /nfs/dbraw/zinc/92/88/40/1036928840.db2.gz JXIDTUYZSRUXML-AEFFLSMTSA-N 1 2 348.450 3.730 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000590684891 1036986052 /nfs/dbraw/zinc/98/60/52/1036986052.db2.gz XWGLKYCDAHNMES-UHFFFAOYSA-N 1 2 335.451 3.588 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590725789 1037008501 /nfs/dbraw/zinc/00/85/01/1037008501.db2.gz WETNNOBJAWBPRW-GOSISDBHSA-N 1 2 341.455 3.604 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1nc(CCC(C)C)no1)C2 ZINC000590790078 1037058398 /nfs/dbraw/zinc/05/83/98/1037058398.db2.gz HSMAGUPFFNRODF-UHFFFAOYSA-N 1 2 329.444 3.615 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1nc(CCC(C)C)no1)C2 ZINC000590790078 1037058416 /nfs/dbraw/zinc/05/84/16/1037058416.db2.gz HSMAGUPFFNRODF-UHFFFAOYSA-N 1 2 329.444 3.615 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000666451515 1037066490 /nfs/dbraw/zinc/06/64/90/1037066490.db2.gz YLZPBJLSKODCQV-WMLDXEAASA-N 1 2 333.863 3.871 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000053238120 1037067559 /nfs/dbraw/zinc/06/75/59/1037067559.db2.gz REHPJKYQRCAERF-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000053238120 1037067577 /nfs/dbraw/zinc/06/75/77/1037067577.db2.gz REHPJKYQRCAERF-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000186870539 1037074169 /nfs/dbraw/zinc/07/41/69/1037074169.db2.gz PZINEDHABWRSQC-MSOLQXFVSA-N 1 2 334.410 3.717 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000186870539 1037074180 /nfs/dbraw/zinc/07/41/80/1037074180.db2.gz PZINEDHABWRSQC-MSOLQXFVSA-N 1 2 334.410 3.717 20 0 EHADLO Cc1ccc2[nH+]cc(CN=c3[nH]c4cc(F)c(F)cc4s3)n2c1 ZINC000539693378 1037082123 /nfs/dbraw/zinc/08/21/23/1037082123.db2.gz DOQPSDUQYKMSPU-UHFFFAOYSA-N 1 2 330.363 3.565 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)nn1 ZINC000414376546 1037105595 /nfs/dbraw/zinc/10/55/95/1037105595.db2.gz HVCJEKOWTFWYGY-UHFFFAOYSA-N 1 2 348.180 3.983 20 0 EHADLO CC(C)(CCNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000590862242 1037106661 /nfs/dbraw/zinc/10/66/61/1037106661.db2.gz YLEQYJAPGNZJDN-UHFFFAOYSA-N 1 2 340.471 3.598 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc2cccnc2o1)c1nc(-c2ccncc2)no1 ZINC000648497784 1037132859 /nfs/dbraw/zinc/13/28/59/1037132859.db2.gz JLJSAFHAKLDSAT-MRXNPFEDSA-N 1 2 349.394 3.760 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470953731 1037163753 /nfs/dbraw/zinc/16/37/53/1037163753.db2.gz ROWZXZRDAUWGSM-OCCSQVGLSA-N 1 2 328.378 3.769 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470953731 1037163772 /nfs/dbraw/zinc/16/37/72/1037163772.db2.gz ROWZXZRDAUWGSM-OCCSQVGLSA-N 1 2 328.378 3.769 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000152516978 1037185067 /nfs/dbraw/zinc/18/50/67/1037185067.db2.gz MJSNQCKQORJCHP-IFCKCIONSA-N 1 2 341.842 3.533 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493266951 1037188066 /nfs/dbraw/zinc/18/80/66/1037188066.db2.gz WSVHUNWJUYBUFS-WAYWQWQTSA-N 1 2 339.317 3.869 20 0 EHADLO O=C(c1ccccc1Cc1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047218 1037199770 /nfs/dbraw/zinc/19/97/70/1037199770.db2.gz OQVGQUKWGWMZGY-UHFFFAOYSA-N 1 2 344.414 3.576 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000542268212 1037215593 /nfs/dbraw/zinc/21/55/93/1037215593.db2.gz MHZGCYLSKSFAIL-GOSISDBHSA-N 1 2 340.471 3.509 20 0 EHADLO COc1ccc(C)cc1Cc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761415999 1037220430 /nfs/dbraw/zinc/22/04/30/1037220430.db2.gz BFSYOAZNUACUEG-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO CC1(c2ccc(Cl)cc2)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493326051 1037259971 /nfs/dbraw/zinc/25/99/71/1037259971.db2.gz SGLPVBCXPJYNCV-VOTSOKGWSA-N 1 2 329.831 3.657 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000104341606 1037266015 /nfs/dbraw/zinc/26/60/15/1037266015.db2.gz LIVSGFPWRYIYPI-MOPGFXCFSA-N 1 2 325.456 3.848 20 0 EHADLO COc1ccccc1[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(F)F)N(C)C ZINC000539855987 1037286928 /nfs/dbraw/zinc/28/69/28/1037286928.db2.gz NGXHQYNTWLRQKX-ZWKOTPCHSA-N 1 2 348.437 3.764 20 0 EHADLO COCCN(Cc1cc(Br)cs1)c1cccc[nH+]1 ZINC000493380159 1037306698 /nfs/dbraw/zinc/30/66/98/1037306698.db2.gz DLGALZXGVUCEJX-UHFFFAOYSA-N 1 2 327.247 3.559 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c1 ZINC000539887822 1037326307 /nfs/dbraw/zinc/32/63/07/1037326307.db2.gz ZEAKQOPHFYUICQ-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c1 ZINC000539887822 1037326325 /nfs/dbraw/zinc/32/63/25/1037326325.db2.gz ZEAKQOPHFYUICQ-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000042574747 1037350736 /nfs/dbraw/zinc/35/07/36/1037350736.db2.gz JDULILPESMVOQI-ZFWWWQNUSA-N 1 2 346.521 3.920 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000042574747 1037350754 /nfs/dbraw/zinc/35/07/54/1037350754.db2.gz JDULILPESMVOQI-ZFWWWQNUSA-N 1 2 346.521 3.920 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000493429036 1037357409 /nfs/dbraw/zinc/35/74/09/1037357409.db2.gz HJNSJHVLBWGCBM-BQYQJAHWSA-N 1 2 331.366 3.673 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3C4CCC3CC4)cc2)cc1 ZINC000532466563 1037379613 /nfs/dbraw/zinc/37/96/13/1037379613.db2.gz SFOBBRGBIVOULQ-UHFFFAOYSA-N 1 2 341.476 3.955 20 0 EHADLO CC1(CC(F)(F)F)CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493467193 1037382840 /nfs/dbraw/zinc/38/28/40/1037382840.db2.gz ZNDPWWAYGIOBLT-DAXSKMNVSA-N 1 2 349.356 3.686 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000376519831 1037418163 /nfs/dbraw/zinc/41/81/63/1037418163.db2.gz TTWKBDKLMMYHAB-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000376519831 1037418174 /nfs/dbraw/zinc/41/81/74/1037418174.db2.gz TTWKBDKLMMYHAB-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)CCc3ccccc3F)nc(=O)c2c1C ZINC000760835318 1037448687 /nfs/dbraw/zinc/44/86/87/1037448687.db2.gz YHFGNHHPMCHERZ-UHFFFAOYSA-N 1 2 345.443 3.827 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)CCc3ccccc3F)nc(=O)c2c1C ZINC000760835318 1037448691 /nfs/dbraw/zinc/44/86/91/1037448691.db2.gz YHFGNHHPMCHERZ-UHFFFAOYSA-N 1 2 345.443 3.827 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000914260870 1037455315 /nfs/dbraw/zinc/45/53/15/1037455315.db2.gz DONGHTPFNDSLSP-INIZCTEOSA-N 1 2 338.455 3.737 20 0 EHADLO CC(C)Oc1cccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000491478116 1037497724 /nfs/dbraw/zinc/49/77/24/1037497724.db2.gz JROFNBBWDLERQT-XZVRFQMRSA-N 1 2 339.439 3.616 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000491479209 1037499223 /nfs/dbraw/zinc/49/92/23/1037499223.db2.gz KDUUWNDJEBFQQA-MISYRCLQSA-N 1 2 349.478 3.826 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537878 1037501242 /nfs/dbraw/zinc/50/12/42/1037501242.db2.gz DBCLBPAYWZBLEF-HZPDHXFCSA-N 1 2 337.464 3.511 20 0 EHADLO CC(C)CCOCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537878 1037501255 /nfs/dbraw/zinc/50/12/55/1037501255.db2.gz DBCLBPAYWZBLEF-HZPDHXFCSA-N 1 2 337.464 3.511 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000532492942 1037537864 /nfs/dbraw/zinc/53/78/64/1037537864.db2.gz ZTQWNLDDXGNCMM-OAHLLOKOSA-N 1 2 345.443 3.547 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000532492942 1037537876 /nfs/dbraw/zinc/53/78/76/1037537876.db2.gz ZTQWNLDDXGNCMM-OAHLLOKOSA-N 1 2 345.443 3.547 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865399 1037574894 /nfs/dbraw/zinc/57/48/94/1037574894.db2.gz WWWLZTHHORLDKQ-ZZXKWVIFSA-N 1 2 349.356 3.779 20 0 EHADLO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863964 1037576254 /nfs/dbraw/zinc/57/62/54/1037576254.db2.gz LUTPSRHAMAGGPY-HOTGVXAUSA-N 1 2 329.831 3.504 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccccc2Cl)n(C)c1C ZINC000462958484 1037593118 /nfs/dbraw/zinc/59/31/18/1037593118.db2.gz VRRYMSXLVNFSTA-GFCCVEGCSA-N 1 2 334.847 3.967 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccccc2Cl)n(C)c1C ZINC000462958484 1037593134 /nfs/dbraw/zinc/59/31/34/1037593134.db2.gz VRRYMSXLVNFSTA-GFCCVEGCSA-N 1 2 334.847 3.967 20 0 EHADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462992313 1037625496 /nfs/dbraw/zinc/62/54/96/1037625496.db2.gz LBKABTWMXKTKOD-HUUCEWRRSA-N 1 2 338.442 3.728 20 0 EHADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462992313 1037625504 /nfs/dbraw/zinc/62/55/04/1037625504.db2.gz LBKABTWMXKTKOD-HUUCEWRRSA-N 1 2 338.442 3.728 20 0 EHADLO Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(N(C)C)[nH+]1 ZINC000152737773 1037626146 /nfs/dbraw/zinc/62/61/46/1037626146.db2.gz XTQGMTXQSCSQJE-UHFFFAOYSA-N 1 2 340.358 3.502 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000463028403 1037659011 /nfs/dbraw/zinc/65/90/11/1037659011.db2.gz AHGDACLMMWRWJE-ZDUSSCGKSA-N 1 2 332.271 3.663 20 0 EHADLO COCC[C@H]1COCC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000463028403 1037659021 /nfs/dbraw/zinc/65/90/21/1037659021.db2.gz AHGDACLMMWRWJE-ZDUSSCGKSA-N 1 2 332.271 3.663 20 0 EHADLO C[C@@H]1C[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@@H](C)S1 ZINC000532571462 1037668673 /nfs/dbraw/zinc/66/86/73/1037668673.db2.gz KEQSMJDVNVKWEH-CHWSQXEVSA-N 1 2 347.509 3.574 20 0 EHADLO CC(C)(C)SCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC001168214856 1037674663 /nfs/dbraw/zinc/67/46/63/1037674663.db2.gz JHYAXRHUUWVYID-QGZVFWFLSA-N 1 2 335.513 3.882 20 0 EHADLO CC(C)(C)SCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC001168214856 1037674680 /nfs/dbraw/zinc/67/46/80/1037674680.db2.gz JHYAXRHUUWVYID-QGZVFWFLSA-N 1 2 335.513 3.882 20 0 EHADLO CC1(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCOCC1 ZINC000493860990 1037675789 /nfs/dbraw/zinc/67/57/89/1037675789.db2.gz SMFHZOYJQLXSNP-PLNGDYQASA-N 1 2 345.830 3.837 20 0 EHADLO CCOCC(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000914340009 1037681673 /nfs/dbraw/zinc/68/16/73/1037681673.db2.gz YZLHHFBUAZLDFN-AWEZNQCLSA-N 1 2 343.210 3.511 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000172921130 1037755325 /nfs/dbraw/zinc/75/53/25/1037755325.db2.gz CRDRELOKLLOCBN-LJQANCHMSA-N 1 2 346.858 3.554 20 0 EHADLO O=C(CCCOc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030609334 1037758154 /nfs/dbraw/zinc/75/81/54/1037758154.db2.gz RMNICBMKZPARNW-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000153218081 1037774976 /nfs/dbraw/zinc/77/49/76/1037774976.db2.gz JVASFFOISPPKPN-UHFFFAOYSA-N 1 2 348.834 3.694 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000494016650 1037778854 /nfs/dbraw/zinc/77/88/54/1037778854.db2.gz JHINBMYAPUGDEM-UHFFFAOYSA-N 1 2 342.443 3.666 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378063276 1037787504 /nfs/dbraw/zinc/78/75/04/1037787504.db2.gz VUMISEBGWLLBRU-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378063276 1037787519 /nfs/dbraw/zinc/78/75/19/1037787519.db2.gz VUMISEBGWLLBRU-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cl)s1)[N@@H+]1CCc2sccc2C1 ZINC000031964103 1037793675 /nfs/dbraw/zinc/79/36/75/1037793675.db2.gz QIWRPCJWRAOXKW-SNVBAGLBSA-N 1 2 340.901 3.640 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cl)s1)[N@H+]1CCc2sccc2C1 ZINC000031964103 1037793686 /nfs/dbraw/zinc/79/36/86/1037793686.db2.gz QIWRPCJWRAOXKW-SNVBAGLBSA-N 1 2 340.901 3.640 20 0 EHADLO CSCCC[N@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592120537 1037835787 /nfs/dbraw/zinc/83/57/87/1037835787.db2.gz GGVFYJKUBHSULO-UHFFFAOYSA-N 1 2 329.828 3.714 20 0 EHADLO CSCCC[N@@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592120537 1037835812 /nfs/dbraw/zinc/83/58/12/1037835812.db2.gz GGVFYJKUBHSULO-UHFFFAOYSA-N 1 2 329.828 3.714 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942819 1037842324 /nfs/dbraw/zinc/84/23/24/1037842324.db2.gz LWGGOMRTQYSHSM-CTNGQTDRSA-N 1 2 338.426 3.577 20 0 EHADLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942819 1037842344 /nfs/dbraw/zinc/84/23/44/1037842344.db2.gz LWGGOMRTQYSHSM-CTNGQTDRSA-N 1 2 338.426 3.577 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378086735 1037847175 /nfs/dbraw/zinc/84/71/75/1037847175.db2.gz PPMOTCFOMNTOJR-AWEZNQCLSA-N 1 2 327.428 3.607 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378086735 1037847195 /nfs/dbraw/zinc/84/71/95/1037847195.db2.gz PPMOTCFOMNTOJR-AWEZNQCLSA-N 1 2 327.428 3.607 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378083148 1037864478 /nfs/dbraw/zinc/86/44/78/1037864478.db2.gz KARIECZNNWBEGL-GFCCVEGCSA-N 1 2 349.887 3.950 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378083148 1037864495 /nfs/dbraw/zinc/86/44/95/1037864495.db2.gz KARIECZNNWBEGL-GFCCVEGCSA-N 1 2 349.887 3.950 20 0 EHADLO CC[N@H+](CCSC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000592205245 1037884702 /nfs/dbraw/zinc/88/47/02/1037884702.db2.gz YAFXWBZJYUKPOC-UHFFFAOYSA-N 1 2 349.525 3.509 20 0 EHADLO CC[N@@H+](CCSC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000592205245 1037884719 /nfs/dbraw/zinc/88/47/19/1037884719.db2.gz YAFXWBZJYUKPOC-UHFFFAOYSA-N 1 2 349.525 3.509 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119263980 1037892067 /nfs/dbraw/zinc/89/20/67/1037892067.db2.gz ZPXKIGYICGMPOW-ZWKOTPCHSA-N 1 2 331.504 3.808 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)n1 ZINC000494200052 1037910821 /nfs/dbraw/zinc/91/08/21/1037910821.db2.gz APEFFSDSXBBPQC-HNNXBMFYSA-N 1 2 326.412 3.851 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000888267139 1037919920 /nfs/dbraw/zinc/91/99/20/1037919920.db2.gz QPRJXXNILWMXQF-QGZVFWFLSA-N 1 2 325.412 3.550 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cn2cc(Cl)ccc2n1 ZINC000463251859 1037953943 /nfs/dbraw/zinc/95/39/43/1037953943.db2.gz ZKFAJBGCLVMVFG-UHFFFAOYSA-N 1 2 343.793 3.530 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1nc(-c2cccs2)cs1 ZINC000651296540 1037954923 /nfs/dbraw/zinc/95/49/23/1037954923.db2.gz WDQFOOKNQNNDAK-UHFFFAOYSA-N 1 2 344.465 3.586 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000540461130 1037961503 /nfs/dbraw/zinc/96/15/03/1037961503.db2.gz WLFOSSXBIGPKMN-OLZOCXBDSA-N 1 2 348.393 3.501 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000492087363 1037972089 /nfs/dbraw/zinc/97/20/89/1037972089.db2.gz RAIVWSQFILGJRI-HYXAFXHYSA-N 1 2 343.736 3.720 20 0 EHADLO c1cc(CSCCC[C@@H]2CCOC2)cc(C[NH+]2CCOCC2)c1 ZINC000592455295 1037986930 /nfs/dbraw/zinc/98/69/30/1037986930.db2.gz PTTXEZGRHZDBPC-QGZVFWFLSA-N 1 2 335.513 3.569 20 0 EHADLO c1cc(CSCCC[C@H]2CCOC2)cc(C[NH+]2CCOCC2)c1 ZINC000592455294 1037987766 /nfs/dbraw/zinc/98/77/66/1037987766.db2.gz PTTXEZGRHZDBPC-KRWDZBQOSA-N 1 2 335.513 3.569 20 0 EHADLO Cn1nc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)c2ccccc21 ZINC000592456635 1037990206 /nfs/dbraw/zinc/99/02/06/1037990206.db2.gz NDWDTIQTRGKTSK-OAQYLSRUSA-N 1 2 346.409 3.987 20 0 EHADLO FC(F)(F)c1ccccc1OCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000592456284 1037990586 /nfs/dbraw/zinc/99/05/86/1037990586.db2.gz NFRXSKGKKWVXCP-UHFFFAOYSA-N 1 2 335.329 3.750 20 0 EHADLO CC[C@H]1CC[N@@H+]1Cc1cc(Br)cc(Br)c1N ZINC000379452219 1038002266 /nfs/dbraw/zinc/00/22/66/1038002266.db2.gz LAXJNUUYMMJNKR-JTQLQIEISA-N 1 2 348.082 3.778 20 0 EHADLO CC[C@H]1CC[N@H+]1Cc1cc(Br)cc(Br)c1N ZINC000379452219 1038002288 /nfs/dbraw/zinc/00/22/88/1038002288.db2.gz LAXJNUUYMMJNKR-JTQLQIEISA-N 1 2 348.082 3.778 20 0 EHADLO Clc1ccc(-c2ccc(N3CCC[C@H](n4cc[nH+]c4)C3)nn2)s1 ZINC000651305971 1038012418 /nfs/dbraw/zinc/01/24/18/1038012418.db2.gz LFNBVQLVOHESGO-LBPRGKRZSA-N 1 2 345.859 3.897 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cncc(Br)c1 ZINC000184287842 1038023121 /nfs/dbraw/zinc/02/31/21/1038023121.db2.gz RRGWUALLLJCLJZ-UHFFFAOYSA-N 1 2 331.217 3.826 20 0 EHADLO CCc1nc(C2([NH2+]C[C@H]3CCC4(CCCCC4)O3)CCCC2)no1 ZINC000190976793 1038025172 /nfs/dbraw/zinc/02/51/72/1038025172.db2.gz FHMOZVURUPRUIS-OAHLLOKOSA-N 1 2 333.476 3.873 20 0 EHADLO Cn1cc(CNc2[nH+]c3cccc(Cl)c3n2C)c(C(C)(C)C)n1 ZINC000184310935 1038025682 /nfs/dbraw/zinc/02/56/82/1038025682.db2.gz IHGDFVVNAFDANV-UHFFFAOYSA-N 1 2 331.851 3.870 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc(-n2cccn2)cc1 ZINC000058497659 1038025996 /nfs/dbraw/zinc/02/59/96/1038025996.db2.gz UCEASWVGAONVNI-UHFFFAOYSA-N 1 2 340.814 3.557 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123544665 1038033952 /nfs/dbraw/zinc/03/39/52/1038033952.db2.gz FOMOTEGCWZIZNE-YLJYHZDGSA-N 1 2 339.483 3.734 20 0 EHADLO Cc1cccc(CSCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123532835 1038035673 /nfs/dbraw/zinc/03/56/73/1038035673.db2.gz GTCDFBVNPLUIMJ-SJLPKXTDSA-N 1 2 343.496 3.534 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000123659102 1038052609 /nfs/dbraw/zinc/05/26/09/1038052609.db2.gz SUWFYEQIQPGENI-KDOFPFPSSA-N 1 2 347.409 3.594 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000669944970 1038070311 /nfs/dbraw/zinc/07/03/11/1038070311.db2.gz LVVULPVVZIEFRM-UHFFFAOYSA-N 1 2 335.407 3.933 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000669944970 1038070334 /nfs/dbraw/zinc/07/03/34/1038070334.db2.gz LVVULPVVZIEFRM-UHFFFAOYSA-N 1 2 335.407 3.933 20 0 EHADLO CC[C@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1nccs1 ZINC000491295230 1038112304 /nfs/dbraw/zinc/11/23/04/1038112304.db2.gz KAXRZZLSFVADRH-HNNXBMFYSA-N 1 2 340.452 3.850 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043313609 1038306523 /nfs/dbraw/zinc/30/65/23/1038306523.db2.gz PSLXEOBXDIUFCT-UHFFFAOYSA-N 1 2 338.455 3.868 20 0 EHADLO Cc1cc(F)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043421054 1038320515 /nfs/dbraw/zinc/32/05/15/1038320515.db2.gz SWKWUAJWMOHIEG-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)ccc2[nH+]1 ZINC000339116101 1038324605 /nfs/dbraw/zinc/32/46/05/1038324605.db2.gz LZVIGVUQOTXYFR-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)cs1 ZINC000107299773 1038329670 /nfs/dbraw/zinc/32/96/70/1038329670.db2.gz XITFGCNFQILCCJ-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)cs1 ZINC000107299773 1038329684 /nfs/dbraw/zinc/32/96/84/1038329684.db2.gz XITFGCNFQILCCJ-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000549410056 1038367557 /nfs/dbraw/zinc/36/75/57/1038367557.db2.gz UGQZMRKJZUYMDM-LBPRGKRZSA-N 1 2 328.746 3.809 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000549410056 1038367572 /nfs/dbraw/zinc/36/75/72/1038367572.db2.gz UGQZMRKJZUYMDM-LBPRGKRZSA-N 1 2 328.746 3.809 20 0 EHADLO CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2ccc(C)cn12 ZINC000538568044 1038392064 /nfs/dbraw/zinc/39/20/64/1038392064.db2.gz ASSUJFVAZIXMGB-HNNXBMFYSA-N 1 2 331.460 3.585 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cccc(OCCOC)c1 ZINC000538609523 1038433615 /nfs/dbraw/zinc/43/36/15/1038433615.db2.gz JJFADVGDPGXYMB-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651359250 1038492409 /nfs/dbraw/zinc/49/24/09/1038492409.db2.gz NEJPRLGXGFYTQR-CQSZACIVSA-N 1 2 345.874 3.505 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)c(OC)c1OC ZINC000538726980 1038494744 /nfs/dbraw/zinc/49/47/44/1038494744.db2.gz LIFNGFQJZRIIOY-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)c(OC)c1OC ZINC000538726980 1038494750 /nfs/dbraw/zinc/49/47/50/1038494750.db2.gz LIFNGFQJZRIIOY-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000659954098 1038500910 /nfs/dbraw/zinc/50/09/10/1038500910.db2.gz ZYHKVMBVAFPNHR-JLTOFOAXSA-N 1 2 337.398 3.731 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000659954098 1038500914 /nfs/dbraw/zinc/50/09/14/1038500914.db2.gz ZYHKVMBVAFPNHR-JLTOFOAXSA-N 1 2 337.398 3.731 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000538750800 1038516807 /nfs/dbraw/zinc/51/68/07/1038516807.db2.gz ZKIOSFGWVYOELV-OAHLLOKOSA-N 1 2 345.439 3.569 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000538750800 1038516820 /nfs/dbraw/zinc/51/68/20/1038516820.db2.gz ZKIOSFGWVYOELV-OAHLLOKOSA-N 1 2 345.439 3.569 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1ccc(F)c2ccccc12)n1cc[nH+]c1 ZINC001168359619 1038521172 /nfs/dbraw/zinc/52/11/72/1038521172.db2.gz PYJOCEBFDQHWDM-CSKARUKUSA-N 1 2 337.398 3.740 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1CCCc1ccccc1Cl)c1ccco1 ZINC000182020122 1038525303 /nfs/dbraw/zinc/52/53/03/1038525303.db2.gz PSDOSVDZCMLNNR-AEFFLSMTSA-N 1 2 349.858 3.690 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1CCCc1ccccc1Cl)c1ccco1 ZINC000182020122 1038525310 /nfs/dbraw/zinc/52/53/10/1038525310.db2.gz PSDOSVDZCMLNNR-AEFFLSMTSA-N 1 2 349.858 3.690 20 0 EHADLO O=C(Nc1cccc(-c2cnco2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000363852907 1038692276 /nfs/dbraw/zinc/69/22/76/1038692276.db2.gz ZTPKTBWNVRJOOX-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1C ZINC000924685024 1038704535 /nfs/dbraw/zinc/70/45/35/1038704535.db2.gz NGMGCOKXFYTRTB-KRWDZBQOSA-N 1 2 344.846 3.926 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2n[nH]cc2Br)C(C)C)cc1 ZINC000539218242 1038735811 /nfs/dbraw/zinc/73/58/11/1038735811.db2.gz USEUXAFIZVSMJP-HNNXBMFYSA-N 1 2 338.249 3.668 20 0 EHADLO COc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(OC)cc2)on1 ZINC000660035821 1038750077 /nfs/dbraw/zinc/75/00/77/1038750077.db2.gz CRHAIEREBCFLLN-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(OC)cc2)on1 ZINC000660035821 1038750083 /nfs/dbraw/zinc/75/00/83/1038750083.db2.gz CRHAIEREBCFLLN-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cs1 ZINC000378601523 1038753817 /nfs/dbraw/zinc/75/38/17/1038753817.db2.gz SWDNOJDRSUYGGU-OAGJVSPASA-N 1 2 327.453 3.779 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cs1 ZINC000378601523 1038753824 /nfs/dbraw/zinc/75/38/24/1038753824.db2.gz SWDNOJDRSUYGGU-OAGJVSPASA-N 1 2 327.453 3.779 20 0 EHADLO CCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1CC ZINC000539316806 1038771127 /nfs/dbraw/zinc/77/11/27/1038771127.db2.gz GUSQUUUHOPCQEC-UHFFFAOYSA-N 1 2 340.471 3.708 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000539320645 1038771907 /nfs/dbraw/zinc/77/19/07/1038771907.db2.gz SQVUBMBGWWTBSL-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO Cc1nn(C)c(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1Cl ZINC000893260803 1038784414 /nfs/dbraw/zinc/78/44/14/1038784414.db2.gz QYKOIBDFJFYEQI-UHFFFAOYSA-N 1 2 325.790 3.829 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cc1OC ZINC000924692221 1038793750 /nfs/dbraw/zinc/79/37/50/1038793750.db2.gz KOPMCFMOANQRCT-CABCVRRESA-N 1 2 346.475 3.805 20 0 EHADLO CCc1ccc(C(C)(C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000539358639 1038798682 /nfs/dbraw/zinc/79/86/82/1038798682.db2.gz WOOBXFWKBGTQSP-UHFFFAOYSA-N 1 2 327.350 3.762 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc2ccccc2c1 ZINC000363899656 1038830705 /nfs/dbraw/zinc/83/07/05/1038830705.db2.gz HOFWIWGKTUSQFX-UHFFFAOYSA-N 1 2 334.423 3.737 20 0 EHADLO CC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000462195009 1038850786 /nfs/dbraw/zinc/85/07/86/1038850786.db2.gz YJFDBDDHFVCZON-HOCLYGCPSA-N 1 2 337.533 3.961 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822645 1038865789 /nfs/dbraw/zinc/86/57/89/1038865789.db2.gz BGSJCDVRFAHBFO-ACJLOTCBSA-N 1 2 343.414 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822645 1038865805 /nfs/dbraw/zinc/86/58/05/1038865805.db2.gz BGSJCDVRFAHBFO-ACJLOTCBSA-N 1 2 343.414 3.727 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822650 1038865847 /nfs/dbraw/zinc/86/58/47/1038865847.db2.gz BGSJCDVRFAHBFO-FZKQIMNGSA-N 1 2 343.414 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822650 1038865872 /nfs/dbraw/zinc/86/58/72/1038865872.db2.gz BGSJCDVRFAHBFO-FZKQIMNGSA-N 1 2 343.414 3.727 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@](C)(C(F)F)O1 ZINC000668821848 1038878705 /nfs/dbraw/zinc/87/87/05/1038878705.db2.gz MMENHIUGESDYTO-KPZWWZAWSA-N 1 2 341.398 3.576 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@](C)(C(F)F)O1 ZINC000668821848 1038878725 /nfs/dbraw/zinc/87/87/25/1038878725.db2.gz MMENHIUGESDYTO-KPZWWZAWSA-N 1 2 341.398 3.576 20 0 EHADLO O=C(c1scnc1C1CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363910980 1038890348 /nfs/dbraw/zinc/89/03/48/1038890348.db2.gz SSJGDNIVHQFYGA-UHFFFAOYSA-N 1 2 330.457 3.544 20 0 EHADLO O=C(c1scnc1C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363910980 1038890379 /nfs/dbraw/zinc/89/03/79/1038890379.db2.gz SSJGDNIVHQFYGA-UHFFFAOYSA-N 1 2 330.457 3.544 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000488178709 1038923788 /nfs/dbraw/zinc/92/37/88/1038923788.db2.gz BBCCADRKVFQKSU-INIZCTEOSA-N 1 2 332.398 3.585 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000488178709 1038923798 /nfs/dbraw/zinc/92/37/98/1038923798.db2.gz BBCCADRKVFQKSU-INIZCTEOSA-N 1 2 332.398 3.585 20 0 EHADLO CCO[C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1(CC)CC ZINC000488182122 1038946767 /nfs/dbraw/zinc/94/67/67/1038946767.db2.gz LRLXWUZFEVSJQX-ZWKOTPCHSA-N 1 2 341.455 3.586 20 0 EHADLO C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccnc1 ZINC000905553297 1038962731 /nfs/dbraw/zinc/96/27/31/1038962731.db2.gz VDFVQSOHLUSIRR-YADHBBJMSA-N 1 2 349.478 3.551 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(SC(F)F)cc1 ZINC000043119055 1038965224 /nfs/dbraw/zinc/96/52/24/1038965224.db2.gz QMRYOCWOBSUIMO-UHFFFAOYSA-N 1 2 338.383 3.630 20 0 EHADLO FC(F)Cn1ncnc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000488230256 1038977854 /nfs/dbraw/zinc/97/78/54/1038977854.db2.gz GFPXBHZYEKTSGX-UHFFFAOYSA-N 1 2 347.196 3.629 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000667600404 1039042804 /nfs/dbraw/zinc/04/28/04/1039042804.db2.gz VHOCYRBUAPNWBN-SFHVURJKSA-N 1 2 326.444 3.739 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000667600404 1039042819 /nfs/dbraw/zinc/04/28/19/1039042819.db2.gz VHOCYRBUAPNWBN-SFHVURJKSA-N 1 2 326.444 3.739 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nc3ccc(F)cc3s2)[C@@H](CC)CN1C(C)=O ZINC000432751013 1039042828 /nfs/dbraw/zinc/04/28/28/1039042828.db2.gz QWIXMNNXSOMKEB-GJZGRUSLSA-N 1 2 349.475 3.657 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nc3ccc(F)cc3s2)[C@@H](CC)CN1C(C)=O ZINC000432751013 1039042845 /nfs/dbraw/zinc/04/28/45/1039042845.db2.gz QWIXMNNXSOMKEB-GJZGRUSLSA-N 1 2 349.475 3.657 20 0 EHADLO Cc1ccc2ccccc2c1C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000485421969 1039043133 /nfs/dbraw/zinc/04/31/33/1039043133.db2.gz IKBWXYBYHWZHOM-LJQANCHMSA-N 1 2 336.460 3.883 20 0 EHADLO Cc1ccc2ccccc2c1C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000485421969 1039043151 /nfs/dbraw/zinc/04/31/51/1039043151.db2.gz IKBWXYBYHWZHOM-LJQANCHMSA-N 1 2 336.460 3.883 20 0 EHADLO CCn1ncnc1C[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC000488293062 1039058863 /nfs/dbraw/zinc/05/88/63/1039058863.db2.gz YAMOTSJJNIAZGA-QGZVFWFLSA-N 1 2 342.487 3.646 20 0 EHADLO CCn1ncnc1C[N@@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC000488293062 1039058884 /nfs/dbraw/zinc/05/88/84/1039058884.db2.gz YAMOTSJJNIAZGA-QGZVFWFLSA-N 1 2 342.487 3.646 20 0 EHADLO CC1(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CCC(F)(F)CC1 ZINC000910776567 1039085908 /nfs/dbraw/zinc/08/59/08/1039085908.db2.gz COBMGUPGDJDBQR-UHFFFAOYSA-N 1 2 348.437 3.689 20 0 EHADLO CC1(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CCC(F)(F)CC1 ZINC000910776567 1039085926 /nfs/dbraw/zinc/08/59/26/1039085926.db2.gz COBMGUPGDJDBQR-UHFFFAOYSA-N 1 2 348.437 3.689 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488331155 1039092580 /nfs/dbraw/zinc/09/25/80/1039092580.db2.gz QTCRJGSSDYJHAR-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488331155 1039092601 /nfs/dbraw/zinc/09/26/01/1039092601.db2.gz QTCRJGSSDYJHAR-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO COc1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(Cl)c1OC ZINC000668844009 1039103918 /nfs/dbraw/zinc/10/39/18/1039103918.db2.gz FRYYKBMDMXMSAS-UHFFFAOYSA-N 1 2 349.862 3.665 20 0 EHADLO COc1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(Cl)c1OC ZINC000668844009 1039103926 /nfs/dbraw/zinc/10/39/26/1039103926.db2.gz FRYYKBMDMXMSAS-UHFFFAOYSA-N 1 2 349.862 3.665 20 0 EHADLO CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000279919650 1039108809 /nfs/dbraw/zinc/10/88/09/1039108809.db2.gz GMWJKXREXAVGDL-ZBFHGGJFSA-N 1 2 327.428 3.919 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1F ZINC000552256322 1039114772 /nfs/dbraw/zinc/11/47/72/1039114772.db2.gz DSZBJHBFOPMNAU-IBGZPJMESA-N 1 2 331.362 3.640 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1F ZINC000552256322 1039114775 /nfs/dbraw/zinc/11/47/75/1039114775.db2.gz DSZBJHBFOPMNAU-IBGZPJMESA-N 1 2 331.362 3.640 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667275245 1039121001 /nfs/dbraw/zinc/12/10/01/1039121001.db2.gz FDTZHZWUAZIASF-SFHVURJKSA-N 1 2 338.455 3.685 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667615449 1039123568 /nfs/dbraw/zinc/12/35/68/1039123568.db2.gz QCKWBNDLMMDMQJ-SECBINFHSA-N 1 2 332.395 3.705 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)s1 ZINC000667615449 1039123576 /nfs/dbraw/zinc/12/35/76/1039123576.db2.gz QCKWBNDLMMDMQJ-SECBINFHSA-N 1 2 332.395 3.705 20 0 EHADLO CC(C)(C)OC1CC(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000488365103 1039125273 /nfs/dbraw/zinc/12/52/73/1039125273.db2.gz IUKQBUXLICQPKZ-UHFFFAOYSA-N 1 2 327.428 3.795 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1C ZINC000898497621 1039147869 /nfs/dbraw/zinc/14/78/69/1039147869.db2.gz CNDMUVWVXLFMSJ-KRWDZBQOSA-N 1 2 344.430 3.727 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1C ZINC000898497621 1039147876 /nfs/dbraw/zinc/14/78/76/1039147876.db2.gz CNDMUVWVXLFMSJ-KRWDZBQOSA-N 1 2 344.430 3.727 20 0 EHADLO CNc1[nH+]cnc2c1cnn2Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000418936423 1039155706 /nfs/dbraw/zinc/15/57/06/1039155706.db2.gz DVHLSHJFXWDRIZ-SNVBAGLBSA-N 1 2 335.333 3.582 20 0 EHADLO FC1(F)CCCC[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000488472663 1039211384 /nfs/dbraw/zinc/21/13/84/1039211384.db2.gz XGBHVAPQNLRZGT-ZDUSSCGKSA-N 1 2 342.459 3.657 20 0 EHADLO FC1(F)CCCC[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000488472663 1039211393 /nfs/dbraw/zinc/21/13/93/1039211393.db2.gz XGBHVAPQNLRZGT-ZDUSSCGKSA-N 1 2 342.459 3.657 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cc(F)ccc2Br)C1 ZINC000668514144 1039247187 /nfs/dbraw/zinc/24/71/87/1039247187.db2.gz YBVYYIACFDRPBU-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1cccc(O)c1)Cc1ccccc1Cl ZINC000554388121 1039282559 /nfs/dbraw/zinc/28/25/59/1039282559.db2.gz CUCPJTDBEQBTJW-UHFFFAOYSA-N 1 2 346.858 3.526 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1cccc(O)c1)Cc1ccccc1Cl ZINC000554388121 1039282571 /nfs/dbraw/zinc/28/25/71/1039282571.db2.gz CUCPJTDBEQBTJW-UHFFFAOYSA-N 1 2 346.858 3.526 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485590905 1039292853 /nfs/dbraw/zinc/29/28/53/1039292853.db2.gz DXYCUEZPEAKSCU-WCIQWLHISA-N 1 2 349.478 3.630 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000552473948 1039314284 /nfs/dbraw/zinc/31/42/84/1039314284.db2.gz JONNWHFHDZOCAL-FQEVSTJZSA-N 1 2 331.419 3.657 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(-c2ccccc2)cc1F ZINC000488676719 1039334695 /nfs/dbraw/zinc/33/46/95/1039334695.db2.gz QOOSULWQOBNIDH-UHFFFAOYSA-N 1 2 333.370 3.782 20 0 EHADLO O[C@@H](COc1ccccc1-n1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000554432722 1039339043 /nfs/dbraw/zinc/33/90/43/1039339043.db2.gz SGRJJDNWMZJFPW-MRXNPFEDSA-N 1 2 328.799 3.508 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)ccc1C ZINC000237326877 1039341790 /nfs/dbraw/zinc/34/17/90/1039341790.db2.gz IUCIQPJBALLATA-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)nn1 ZINC000927140382 1039360336 /nfs/dbraw/zinc/36/03/36/1039360336.db2.gz NJFSZCBAMBCWCC-NWDGAFQWSA-N 1 2 334.851 3.688 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCCO1 ZINC000667648856 1039364100 /nfs/dbraw/zinc/36/41/00/1039364100.db2.gz BTNZRGAGEAUJIQ-LRDDRELGSA-N 1 2 333.819 3.669 20 0 EHADLO CCC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCC(F)(F)CC1 ZINC000667652196 1039379460 /nfs/dbraw/zinc/37/94/60/1039379460.db2.gz VTAKYFYQZWQWMP-UHFFFAOYSA-N 1 2 325.403 3.721 20 0 EHADLO Fc1ccccc1NC(=S)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000044129582 1039395773 /nfs/dbraw/zinc/39/57/73/1039395773.db2.gz UJNAURYOVHMSLD-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCCCC[C@H]3C(F)(F)F)ccn12 ZINC000906194893 1039399078 /nfs/dbraw/zinc/39/90/78/1039399078.db2.gz ZXBBSVJGXZVNSW-ZDUSSCGKSA-N 1 2 325.334 3.590 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(Cl)cn1 ZINC000554495949 1039403712 /nfs/dbraw/zinc/40/37/12/1039403712.db2.gz NWJHHAQKFPVWKU-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(Cl)cn1 ZINC000554495949 1039403721 /nfs/dbraw/zinc/40/37/21/1039403721.db2.gz NWJHHAQKFPVWKU-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3ccn(C(F)F)c3c2)c[nH+]1 ZINC000898677411 1039407091 /nfs/dbraw/zinc/40/70/91/1039407091.db2.gz POWKFRBQNRFAHQ-UHFFFAOYSA-N 1 2 332.354 3.915 20 0 EHADLO CCCOc1cccc2c(N[C@@H](C)C(=O)N3CCCCC3)cc[nH+]c12 ZINC000478386318 1039408552 /nfs/dbraw/zinc/40/85/52/1039408552.db2.gz PJHLKJYKKLCAMW-HNNXBMFYSA-N 1 2 341.455 3.837 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692880 1039413832 /nfs/dbraw/zinc/41/38/32/1039413832.db2.gz MPGMQSGURBGZLW-DLBZAZTESA-N 1 2 336.426 3.797 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692880 1039413838 /nfs/dbraw/zinc/41/38/38/1039413838.db2.gz MPGMQSGURBGZLW-DLBZAZTESA-N 1 2 336.426 3.797 20 0 EHADLO CC[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687090 1039425996 /nfs/dbraw/zinc/42/59/96/1039425996.db2.gz BFTHGWJWQDIUFK-OMWUSAIZSA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485687090 1039426003 /nfs/dbraw/zinc/42/60/03/1039426003.db2.gz BFTHGWJWQDIUFK-OMWUSAIZSA-N 1 2 338.442 3.899 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2cc(F)cc(Cl)c2)CC12CCCCC2 ZINC000485707443 1039435444 /nfs/dbraw/zinc/43/54/44/1039435444.db2.gz DQGYNRBYMJTSON-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CC12CCCCC2 ZINC000485707443 1039435451 /nfs/dbraw/zinc/43/54/51/1039435451.db2.gz DQGYNRBYMJTSON-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO C/C=C(/C=C\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)CC ZINC000480333531 1039437345 /nfs/dbraw/zinc/43/73/45/1039437345.db2.gz WREIURZGSRELHK-FKTHQISDSA-N 1 2 339.439 3.938 20 0 EHADLO CCC1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCCC1 ZINC000554542860 1039461494 /nfs/dbraw/zinc/46/14/94/1039461494.db2.gz YUCNKHJEEWTLDE-UHFFFAOYSA-N 1 2 341.459 3.808 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720667 1039461843 /nfs/dbraw/zinc/46/18/43/1039461843.db2.gz JPKPHNHNZWNTSE-DLBZAZTESA-N 1 2 336.426 3.797 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000485720667 1039461851 /nfs/dbraw/zinc/46/18/51/1039461851.db2.gz JPKPHNHNZWNTSE-DLBZAZTESA-N 1 2 336.426 3.797 20 0 EHADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000554571078 1039492580 /nfs/dbraw/zinc/49/25/80/1039492580.db2.gz AZZHFAZXRHCADP-UHFFFAOYSA-N 1 2 341.430 3.599 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)nc1 ZINC000924124284 1039509558 /nfs/dbraw/zinc/50/95/58/1039509558.db2.gz UAHOSNUIBLMLHL-HNNXBMFYSA-N 1 2 326.444 3.788 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)nc1 ZINC000924124284 1039509572 /nfs/dbraw/zinc/50/95/72/1039509572.db2.gz UAHOSNUIBLMLHL-HNNXBMFYSA-N 1 2 326.444 3.788 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(C(C)C)c1 ZINC000660168878 1039514841 /nfs/dbraw/zinc/51/48/41/1039514841.db2.gz GWPKFZTTZRBTEC-LJQANCHMSA-N 1 2 327.472 3.734 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(C(C)C)c1 ZINC000660168878 1039514856 /nfs/dbraw/zinc/51/48/56/1039514856.db2.gz GWPKFZTTZRBTEC-LJQANCHMSA-N 1 2 327.472 3.734 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000554597853 1039525862 /nfs/dbraw/zinc/52/58/62/1039525862.db2.gz YYGAZQCEOIAJCA-OAQYLSRUSA-N 1 2 345.446 3.870 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000667672853 1039538213 /nfs/dbraw/zinc/53/82/13/1039538213.db2.gz JGZBSLXEKCILPZ-DYESRHJHSA-N 1 2 341.451 3.674 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000667672853 1039538223 /nfs/dbraw/zinc/53/82/23/1039538223.db2.gz JGZBSLXEKCILPZ-DYESRHJHSA-N 1 2 341.451 3.674 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000500826503 1039542389 /nfs/dbraw/zinc/54/23/89/1039542389.db2.gz IXTZSMOLYWDYKZ-QRFRQXIXSA-N 1 2 341.426 3.754 20 0 EHADLO CC(C)N(C)c1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cn1 ZINC000478585879 1039551246 /nfs/dbraw/zinc/55/12/46/1039551246.db2.gz MOVCGJFZGPYAEF-UHFFFAOYSA-N 1 2 343.862 3.500 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](c3ccccc3)C3CC3)ccc2[nH+]1 ZINC000432864201 1039561739 /nfs/dbraw/zinc/56/17/39/1039561739.db2.gz DHUVPHNEIIOXTA-SFHVURJKSA-N 1 2 334.423 3.958 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000064635232 1039562683 /nfs/dbraw/zinc/56/26/83/1039562683.db2.gz CCKIFYREAYMHQI-HNNXBMFYSA-N 1 2 330.394 3.774 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000064635232 1039562705 /nfs/dbraw/zinc/56/27/05/1039562705.db2.gz CCKIFYREAYMHQI-HNNXBMFYSA-N 1 2 330.394 3.774 20 0 EHADLO CCCC[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000500849597 1039585595 /nfs/dbraw/zinc/58/55/95/1039585595.db2.gz ILKXEOLUGMSLBQ-IAGOWNOFSA-N 1 2 332.488 3.727 20 0 EHADLO COc1ccc(F)c(CNC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000339219817 1039590683 /nfs/dbraw/zinc/59/06/83/1039590683.db2.gz UYAUAJPQZBNHEX-SFHVURJKSA-N 1 2 332.419 3.662 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000279927092 1039595477 /nfs/dbraw/zinc/59/54/77/1039595477.db2.gz XSEFOYRAISEPRR-JCNLHEQBSA-N 1 2 346.862 3.514 20 0 EHADLO Cc1ccc2cc(CN3CC[NH+]([C@H](C)c4cccnc4)CC3)ccc2n1 ZINC000187298351 1039598900 /nfs/dbraw/zinc/59/89/00/1039598900.db2.gz DLPOYTBFLSRNBZ-GOSISDBHSA-N 1 2 346.478 3.817 20 0 EHADLO C[C@@H]1C[NH+](Cc2cc(Br)c(Cl)s2)C[C@@H](C)C1O ZINC000668555036 1039601006 /nfs/dbraw/zinc/60/10/06/1039601006.db2.gz VGUHRMFJPKQBKJ-HTQZYQBOSA-N 1 2 338.698 3.613 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)ccn12 ZINC000584731519 1039643487 /nfs/dbraw/zinc/64/34/87/1039643487.db2.gz ZOEQOROWWXZCOV-MRXNPFEDSA-N 1 2 348.450 3.734 20 0 EHADLO Cc1nc(N2CCC[C@]3(C2)OCc2ccccc23)c2c([nH+]1)CCCC2 ZINC000480532974 1039650596 /nfs/dbraw/zinc/65/05/96/1039650596.db2.gz SZVXFIGDJBVKDF-OAQYLSRUSA-N 1 2 335.451 3.690 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000554743098 1039661498 /nfs/dbraw/zinc/66/14/98/1039661498.db2.gz XMAWBHXQYFUFIL-AWEZNQCLSA-N 1 2 343.414 3.840 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000554743098 1039661506 /nfs/dbraw/zinc/66/15/06/1039661506.db2.gz XMAWBHXQYFUFIL-AWEZNQCLSA-N 1 2 343.414 3.840 20 0 EHADLO CC(C)(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)n1cc[nH+]c1 ZINC000898901259 1039679285 /nfs/dbraw/zinc/67/92/85/1039679285.db2.gz FNYLSVNZAOOCMN-UHFFFAOYSA-N 1 2 348.859 3.758 20 0 EHADLO FC(F)C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CCC1 ZINC000667695318 1039681285 /nfs/dbraw/zinc/68/12/85/1039681285.db2.gz OZBFXQWZEIGEDZ-QGZVFWFLSA-N 1 2 325.399 3.722 20 0 EHADLO FC(F)C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CCC1 ZINC000667695318 1039681291 /nfs/dbraw/zinc/68/12/91/1039681291.db2.gz OZBFXQWZEIGEDZ-QGZVFWFLSA-N 1 2 325.399 3.722 20 0 EHADLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000898907709 1039695336 /nfs/dbraw/zinc/69/53/36/1039695336.db2.gz WMLLDQKVKFDYDY-LBPRGKRZSA-N 1 2 339.361 3.557 20 0 EHADLO C[C@H]1[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CCOC1(C)C ZINC000480584469 1039711610 /nfs/dbraw/zinc/71/16/10/1039711610.db2.gz HYUSKNWKGSUNDG-OAHLLOKOSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@H]1[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CCOC1(C)C ZINC000480584469 1039711629 /nfs/dbraw/zinc/71/16/29/1039711629.db2.gz HYUSKNWKGSUNDG-OAHLLOKOSA-N 1 2 344.430 3.799 20 0 EHADLO Cn1cc([C@@H]([NH2+][C@@H]2COCc3ccccc32)c2cccc(F)c2)cn1 ZINC000417355564 1039714724 /nfs/dbraw/zinc/71/47/24/1039714724.db2.gz DJSRCJYZIZWZJX-UXHICEINSA-N 1 2 337.398 3.510 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007878262 1039727850 /nfs/dbraw/zinc/72/78/50/1039727850.db2.gz NQPHPYHYKUPAIN-IVKJLDKCSA-N 1 2 344.524 3.752 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007878262 1039727863 /nfs/dbraw/zinc/72/78/63/1039727863.db2.gz NQPHPYHYKUPAIN-IVKJLDKCSA-N 1 2 344.524 3.752 20 0 EHADLO Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000152769472 1039757516 /nfs/dbraw/zinc/75/75/16/1039757516.db2.gz KWQPPVGJQOLUFB-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000047973319 1039772619 /nfs/dbraw/zinc/77/26/19/1039772619.db2.gz IVQUQDGHBLNUNU-CQSZACIVSA-N 1 2 340.452 3.553 20 0 EHADLO CSc1c(F)cccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000667410319 1039773955 /nfs/dbraw/zinc/77/39/55/1039773955.db2.gz ZKMBECOODQDWOY-UHFFFAOYSA-N 1 2 348.447 3.956 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CC(C)C3)n2)cc1C ZINC000553226791 1039894268 /nfs/dbraw/zinc/89/42/68/1039894268.db2.gz CIIAGMVDSFXJHT-AWEZNQCLSA-N 1 2 329.469 3.706 20 0 EHADLO CO[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1Cl ZINC000907031230 1039894106 /nfs/dbraw/zinc/89/41/06/1039894106.db2.gz HWXLBKFARXNOII-INIZCTEOSA-N 1 2 332.831 3.778 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990828 1039927097 /nfs/dbraw/zinc/92/70/97/1039927097.db2.gz JUXAKSHQGPJRHN-HXUWFJFHSA-N 1 2 348.450 3.881 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553280996 1039932169 /nfs/dbraw/zinc/93/21/69/1039932169.db2.gz VHTCKHHPGDLXRJ-UHFFFAOYSA-N 1 2 334.423 3.551 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000893988453 1039943596 /nfs/dbraw/zinc/94/35/96/1039943596.db2.gz YEFUQMLJXQNZGH-MYZSEDEFSA-N 1 2 349.478 3.957 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](C)C[C@H]3c3ccccc3)[nH+]c12 ZINC000553331218 1039979389 /nfs/dbraw/zinc/97/93/89/1039979389.db2.gz ADVGQISECZPDNN-KXBFYZLASA-N 1 2 333.435 3.795 20 0 EHADLO CCCc1ccc([C@@H]([NH2+]Cc2noc(CCOC)n2)C(C)C)cc1 ZINC000554940223 1039980240 /nfs/dbraw/zinc/98/02/40/1039980240.db2.gz FDYCKNFLIDPZDE-IBGZPJMESA-N 1 2 331.460 3.698 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c[nH+]1 ZINC000907270277 1039981513 /nfs/dbraw/zinc/98/15/13/1039981513.db2.gz PUOSVVJRQZGBCL-UHFFFAOYSA-N 1 2 343.761 3.820 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000907260000 1039990182 /nfs/dbraw/zinc/99/01/82/1039990182.db2.gz FAIOKBUWZQSRTK-UHFFFAOYSA-N 1 2 337.345 3.557 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3nc(C(C)C)c[nH]3)CC2)c1C ZINC000894053574 1040018651 /nfs/dbraw/zinc/01/86/51/1040018651.db2.gz KEQHGGPKTVGGQQ-UHFFFAOYSA-N 1 2 327.472 3.634 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)[NH+]1CC(C)C1 ZINC000553419228 1040043596 /nfs/dbraw/zinc/04/35/96/1040043596.db2.gz MVBHQHIUQGSDCS-CYBMUJFWSA-N 1 2 345.830 3.806 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000907494026 1040074646 /nfs/dbraw/zinc/07/46/46/1040074646.db2.gz LSEQDJIFMSUKGY-UHFFFAOYSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332733694 1040095141 /nfs/dbraw/zinc/09/51/41/1040095141.db2.gz YKHPGGGAWXOHNY-HYVNUMGLSA-N 1 2 330.476 3.658 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000667462200 1040101218 /nfs/dbraw/zinc/10/12/18/1040101218.db2.gz AJMDNSUGAFJLIJ-HNNXBMFYSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000667462200 1040101226 /nfs/dbraw/zinc/10/12/26/1040101226.db2.gz AJMDNSUGAFJLIJ-HNNXBMFYSA-N 1 2 339.361 3.785 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC000912697953 1040123983 /nfs/dbraw/zinc/12/39/83/1040123983.db2.gz CYEJUSVWYOBBOG-JTQLQIEISA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC000912697953 1040123996 /nfs/dbraw/zinc/12/39/96/1040123996.db2.gz CYEJUSVWYOBBOG-JTQLQIEISA-N 1 2 347.203 3.539 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907673994 1040124866 /nfs/dbraw/zinc/12/48/66/1040124866.db2.gz CZUXSPPNGZRKLQ-BRWVUGGUSA-N 1 2 340.471 3.502 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669002949 1040163978 /nfs/dbraw/zinc/16/39/78/1040163978.db2.gz FIOYWZURVRKKFT-DLVXIWMQSA-N 1 2 337.467 3.832 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899205880 1040165505 /nfs/dbraw/zinc/16/55/05/1040165505.db2.gz OBIGKFQXGAVCSB-KFWWJZLASA-N 1 2 343.858 3.961 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899205880 1040165514 /nfs/dbraw/zinc/16/55/14/1040165514.db2.gz OBIGKFQXGAVCSB-KFWWJZLASA-N 1 2 343.858 3.961 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)oc1C ZINC000432924986 1040189692 /nfs/dbraw/zinc/18/96/92/1040189692.db2.gz PORJYEDFYVKXIN-TYILLQQXSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)oc1C ZINC000432924986 1040189703 /nfs/dbraw/zinc/18/97/03/1040189703.db2.gz PORJYEDFYVKXIN-TYILLQQXSA-N 1 2 343.423 3.898 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cscc2Cl)C[C@@H]1c1ccccc1 ZINC000648693552 1040210375 /nfs/dbraw/zinc/21/03/75/1040210375.db2.gz CFPMPYOHASTGOW-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cscc2Cl)C[C@@H]1c1ccccc1 ZINC000648693552 1040210387 /nfs/dbraw/zinc/21/03/87/1040210387.db2.gz CFPMPYOHASTGOW-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C3CCC3)nn2)cc1 ZINC000667487565 1040235152 /nfs/dbraw/zinc/23/51/52/1040235152.db2.gz AMORQKGKMKZRFY-LJQANCHMSA-N 1 2 326.444 3.739 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cn(C3CCC3)nn2)cc1 ZINC000667487565 1040235164 /nfs/dbraw/zinc/23/51/64/1040235164.db2.gz AMORQKGKMKZRFY-LJQANCHMSA-N 1 2 326.444 3.739 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000092707290 1040261307 /nfs/dbraw/zinc/26/13/07/1040261307.db2.gz IXEATXBODKTENM-CYBMUJFWSA-N 1 2 329.271 3.730 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000092707290 1040261317 /nfs/dbraw/zinc/26/13/17/1040261317.db2.gz IXEATXBODKTENM-CYBMUJFWSA-N 1 2 329.271 3.730 20 0 EHADLO COc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1F ZINC000923817553 1040267574 /nfs/dbraw/zinc/26/75/74/1040267574.db2.gz HZQLATJIONXCMU-CQSZACIVSA-N 1 2 330.363 3.716 20 0 EHADLO CCOC[C@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)C1 ZINC000479490737 1040296220 /nfs/dbraw/zinc/29/62/20/1040296220.db2.gz UMLFZNYGRQTVNH-HNNXBMFYSA-N 1 2 342.439 3.583 20 0 EHADLO CC(C)CC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CC1 ZINC000555235108 1040320763 /nfs/dbraw/zinc/32/07/63/1040320763.db2.gz FCXOBTHFVCZFOS-KRWDZBQOSA-N 1 2 328.460 3.688 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000490064949 1040329686 /nfs/dbraw/zinc/32/96/86/1040329686.db2.gz VKDDKVJDQLPARY-KRWDZBQOSA-N 1 2 341.430 3.649 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000490064949 1040329697 /nfs/dbraw/zinc/32/96/97/1040329697.db2.gz VKDDKVJDQLPARY-KRWDZBQOSA-N 1 2 341.430 3.649 20 0 EHADLO CCC(CC)CCCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000660316722 1040346814 /nfs/dbraw/zinc/34/68/14/1040346814.db2.gz JJFLCBVJKGGATK-UHFFFAOYSA-N 1 2 334.508 3.620 20 0 EHADLO CCn1c[nH+]cc1CNc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000417943455 1040352961 /nfs/dbraw/zinc/35/29/61/1040352961.db2.gz BASQSDZLJDDWMO-UHFFFAOYSA-N 1 2 335.333 3.720 20 0 EHADLO C[C@@H]1C[C@H](CCNc2nc(C3CC3)ns2)C[N@@H+]1Cc1ccccc1 ZINC000511645360 1040357349 /nfs/dbraw/zinc/35/73/49/1040357349.db2.gz JUBARYGDXHYZHD-ZBFHGGJFSA-N 1 2 342.512 3.550 20 0 EHADLO C[C@@H]1C[C@H](CCNc2nc(C3CC3)ns2)C[N@H+]1Cc1ccccc1 ZINC000511645360 1040357368 /nfs/dbraw/zinc/35/73/68/1040357368.db2.gz JUBARYGDXHYZHD-ZBFHGGJFSA-N 1 2 342.512 3.550 20 0 EHADLO COc1cc(F)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000668672702 1040375998 /nfs/dbraw/zinc/37/59/98/1040375998.db2.gz XEPIXGCPTDVJMD-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1cc(F)cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000668672702 1040376015 /nfs/dbraw/zinc/37/60/15/1040376015.db2.gz XEPIXGCPTDVJMD-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cnc12 ZINC000668673327 1040386636 /nfs/dbraw/zinc/38/66/36/1040386636.db2.gz NPGMYOBFUGEESJ-GOSISDBHSA-N 1 2 337.423 3.589 20 0 EHADLO Cc1cccn2c(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cnc12 ZINC000668673327 1040386653 /nfs/dbraw/zinc/38/66/53/1040386653.db2.gz NPGMYOBFUGEESJ-GOSISDBHSA-N 1 2 337.423 3.589 20 0 EHADLO CC(C)n1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)nn1 ZINC000310940662 1040414481 /nfs/dbraw/zinc/41/44/81/1040414481.db2.gz WBONKHOVSKPKOW-UHFFFAOYSA-N 1 2 336.439 3.728 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000555320601 1040426768 /nfs/dbraw/zinc/42/67/68/1040426768.db2.gz QSIKBVAWWVTOJL-UHFFFAOYSA-N 1 2 349.500 3.702 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000555320601 1040426776 /nfs/dbraw/zinc/42/67/76/1040426776.db2.gz QSIKBVAWWVTOJL-UHFFFAOYSA-N 1 2 349.500 3.702 20 0 EHADLO COC1(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000555336875 1040457748 /nfs/dbraw/zinc/45/77/48/1040457748.db2.gz IJTYBRHNORRZCZ-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(CC[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000555336875 1040457757 /nfs/dbraw/zinc/45/77/57/1040457757.db2.gz IJTYBRHNORRZCZ-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000418033035 1040474442 /nfs/dbraw/zinc/47/44/42/1040474442.db2.gz QUGUCKCNZWPEPV-UHFFFAOYSA-N 1 2 329.444 3.789 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000418037429 1040483124 /nfs/dbraw/zinc/48/31/24/1040483124.db2.gz DBMWDUTWLFZTGZ-UHFFFAOYSA-N 1 2 338.427 3.692 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027016 1040493946 /nfs/dbraw/zinc/49/39/46/1040493946.db2.gz JDFYZIMRDRBGQJ-XDHUDOTRSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027016 1040493956 /nfs/dbraw/zinc/49/39/56/1040493956.db2.gz JDFYZIMRDRBGQJ-XDHUDOTRSA-N 1 2 349.540 3.989 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152178645 1040510338 /nfs/dbraw/zinc/51/03/38/1040510338.db2.gz POFLRWCAKWCORN-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152178645 1040510354 /nfs/dbraw/zinc/51/03/54/1040510354.db2.gz POFLRWCAKWCORN-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152181516 1040527223 /nfs/dbraw/zinc/52/72/23/1040527223.db2.gz BMKWVDWIKJVODL-HOCLYGCPSA-N 1 2 343.496 3.823 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000481237873 1040540711 /nfs/dbraw/zinc/54/07/11/1040540711.db2.gz NNDNFVMFGTYBRX-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000481237873 1040540728 /nfs/dbraw/zinc/54/07/28/1040540728.db2.gz NNDNFVMFGTYBRX-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000418087816 1040563505 /nfs/dbraw/zinc/56/35/05/1040563505.db2.gz DLCALISOQJFKAD-UHFFFAOYSA-N 1 2 339.361 3.620 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000418087816 1040563522 /nfs/dbraw/zinc/56/35/22/1040563522.db2.gz DLCALISOQJFKAD-UHFFFAOYSA-N 1 2 339.361 3.620 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000667856708 1040584010 /nfs/dbraw/zinc/58/40/10/1040584010.db2.gz SPWGTGGEWRQGSJ-UZLBHIALSA-N 1 2 335.451 3.514 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(C)[nH+]1 ZINC000913160586 1040605441 /nfs/dbraw/zinc/60/54/41/1040605441.db2.gz DHYFLPQZQUHYCY-FHLIZLRMSA-N 1 2 326.827 3.728 20 0 EHADLO CSc1cc(O)ccc1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000486975589 1040612060 /nfs/dbraw/zinc/61/20/60/1040612060.db2.gz YCMLDXLMJGPEGT-UHFFFAOYSA-N 1 2 328.397 3.714 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1OC ZINC000668725423 1040639382 /nfs/dbraw/zinc/63/93/82/1040639382.db2.gz XFPWNESODUSFKZ-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCCOc1cc(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1OC ZINC000668725423 1040639392 /nfs/dbraw/zinc/63/93/92/1040639392.db2.gz XFPWNESODUSFKZ-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO COc1ccc(F)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000247921425 1040663298 /nfs/dbraw/zinc/66/32/98/1040663298.db2.gz XQYJIYMFUFRCFI-UHFFFAOYSA-N 1 2 349.431 3.529 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCCC[C@H]3c3noc(C4CC4)n3)c2c1C ZINC000645132342 1040684100 /nfs/dbraw/zinc/68/41/00/1040684100.db2.gz XYVCIOYTTORQDG-ZDUSSCGKSA-N 1 2 338.415 3.567 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1ncccc1F)Cc1ccccc1Cl ZINC000614219992 1040722864 /nfs/dbraw/zinc/72/28/64/1040722864.db2.gz JPAJLJUTVMLPFF-CYBMUJFWSA-N 1 2 349.837 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1ncccc1F)Cc1ccccc1Cl ZINC000614219992 1040722881 /nfs/dbraw/zinc/72/28/81/1040722881.db2.gz JPAJLJUTVMLPFF-CYBMUJFWSA-N 1 2 349.837 3.573 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000600167542 1040753739 /nfs/dbraw/zinc/75/37/39/1040753739.db2.gz GWTFPIUGHCDJNS-JTQLQIEISA-N 1 2 333.270 3.558 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000600167542 1040753748 /nfs/dbraw/zinc/75/37/48/1040753748.db2.gz GWTFPIUGHCDJNS-JTQLQIEISA-N 1 2 333.270 3.558 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000600168377 1040756353 /nfs/dbraw/zinc/75/63/53/1040756353.db2.gz IFRLQHAOGHGYNC-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000600168377 1040756372 /nfs/dbraw/zinc/75/63/72/1040756372.db2.gz IFRLQHAOGHGYNC-SFHVURJKSA-N 1 2 346.377 3.874 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1-c1ccccc1 ZINC000490910558 1040811327 /nfs/dbraw/zinc/81/13/27/1040811327.db2.gz NHVQGYVKHVBQJC-KRWDZBQOSA-N 1 2 348.450 3.746 20 0 EHADLO FC(F)(F)C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000668766572 1040837152 /nfs/dbraw/zinc/83/71/52/1040837152.db2.gz VAGDBPYEOGLINE-INIZCTEOSA-N 1 2 336.357 3.902 20 0 EHADLO FC(F)(F)C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000668766572 1040837164 /nfs/dbraw/zinc/83/71/64/1040837164.db2.gz VAGDBPYEOGLINE-INIZCTEOSA-N 1 2 336.357 3.902 20 0 EHADLO O=C(/C=C\c1cccc(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491025444 1040871863 /nfs/dbraw/zinc/87/18/63/1040871863.db2.gz PGOZKGZWXBHIOR-FPLPWBNLSA-N 1 2 341.842 3.533 20 0 EHADLO CC(C)n1ncnc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000664033859 1040887029 /nfs/dbraw/zinc/88/70/29/1040887029.db2.gz OQYHWSCYJULFNA-UHFFFAOYSA-N 1 2 337.427 3.638 20 0 EHADLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000924760894 1040904489 /nfs/dbraw/zinc/90/44/89/1040904489.db2.gz DBWRYRLAYUMGCI-UHFFFAOYSA-N 1 2 346.500 3.824 20 0 EHADLO CCCCOc1cccc(F)c1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001211794920 1040914468 /nfs/dbraw/zinc/91/44/68/1040914468.db2.gz OOEYTTJHIULCBI-HNNXBMFYSA-N 1 2 345.418 3.714 20 0 EHADLO OC[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1c(F)cccc1F ZINC000487313181 1040919051 /nfs/dbraw/zinc/91/90/51/1040919051.db2.gz AMENFZYNPOKLIO-ZDUSSCGKSA-N 1 2 336.363 3.505 20 0 EHADLO O=C(/C=C\c1ccncc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000491183180 1040943439 /nfs/dbraw/zinc/94/34/39/1040943439.db2.gz ARHPOWAKOBIJDF-WTKPLQERSA-N 1 2 344.418 3.933 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000586768338 1041006997 /nfs/dbraw/zinc/00/69/97/1041006997.db2.gz RUPVCWLKNBXLQG-UHFFFAOYSA-N 1 2 342.814 3.634 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000586768338 1041007020 /nfs/dbraw/zinc/00/70/20/1041007020.db2.gz RUPVCWLKNBXLQG-UHFFFAOYSA-N 1 2 342.814 3.634 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COCC2(C)C)c1 ZINC000894129228 1041050685 /nfs/dbraw/zinc/05/06/85/1041050685.db2.gz VXYOBOXCKVLHNB-QGZVFWFLSA-N 1 2 331.485 3.612 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COCC2(C)C)c1 ZINC000894129228 1041050704 /nfs/dbraw/zinc/05/07/04/1041050704.db2.gz VXYOBOXCKVLHNB-QGZVFWFLSA-N 1 2 331.485 3.612 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H](C)c1ccccc1)C2 ZINC000364391396 1041109949 /nfs/dbraw/zinc/10/99/49/1041109949.db2.gz ZQOHIMGETUJQJR-GDBMZVCRSA-N 1 2 325.456 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000364391396 1041109957 /nfs/dbraw/zinc/10/99/57/1041109957.db2.gz ZQOHIMGETUJQJR-GDBMZVCRSA-N 1 2 325.456 3.858 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433233533 1041122105 /nfs/dbraw/zinc/12/21/05/1041122105.db2.gz PFUMGPLYIYUPAH-UHFFFAOYSA-N 1 2 327.472 3.805 20 0 EHADLO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc(F)c1F ZINC001143611039 1041139504 /nfs/dbraw/zinc/13/95/04/1041139504.db2.gz NNLYMRJNPMABFL-OAHLLOKOSA-N 1 2 330.369 3.579 20 0 EHADLO Cc1nc2cc(CNc3cc[nH+]c(OC4CCOCC4)c3)ccc2o1 ZINC001167759930 1041168538 /nfs/dbraw/zinc/16/85/38/1041168538.db2.gz IAHUUMJNSKTKQO-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO Cc1ccc2oc(C[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)cc2c1 ZINC000571061570 1041172710 /nfs/dbraw/zinc/17/27/10/1041172710.db2.gz YUYFDKABVADJSH-HXUWFJFHSA-N 1 2 334.419 3.851 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000343867198 1041185321 /nfs/dbraw/zinc/18/53/21/1041185321.db2.gz OUSPEVKPJORPRC-CVEARBPZSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOc2ccccc2)C3)cc1 ZINC000487963128 1041211314 /nfs/dbraw/zinc/21/13/14/1041211314.db2.gz PURYLJNLOZBVOG-UHFFFAOYSA-N 1 2 333.435 3.618 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOc2ccccc2)C3)cc1 ZINC000487963128 1041211328 /nfs/dbraw/zinc/21/13/28/1041211328.db2.gz PURYLJNLOZBVOG-UHFFFAOYSA-N 1 2 333.435 3.618 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1csc(C2CCCCC2)n1 ZINC000842340892 1041235954 /nfs/dbraw/zinc/23/59/54/1041235954.db2.gz UVOAIFNBEGMVMP-UHFFFAOYSA-N 1 2 333.457 3.714 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222627 1041239648 /nfs/dbraw/zinc/23/96/48/1041239648.db2.gz HRMHCYVUZNSBEZ-OLZOCXBDSA-N 1 2 340.452 3.589 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222627 1041239665 /nfs/dbraw/zinc/23/96/65/1041239665.db2.gz HRMHCYVUZNSBEZ-OLZOCXBDSA-N 1 2 340.452 3.589 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433319547 1041272843 /nfs/dbraw/zinc/27/28/43/1041272843.db2.gz REKNMGDSBPDCED-LLVKDONJSA-N 1 2 328.359 3.948 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc(-n3cccn3)cc2)s1 ZINC000433329496 1041291644 /nfs/dbraw/zinc/29/16/44/1041291644.db2.gz GGJGIQRYBIPHSO-UHFFFAOYSA-N 1 2 338.358 3.637 20 0 EHADLO CCN(CC)C(=O)c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000195061244 1041372854 /nfs/dbraw/zinc/37/28/54/1041372854.db2.gz ISFKLOXXHKXJMJ-UHFFFAOYSA-N 1 2 336.439 3.737 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000419329047 1041375406 /nfs/dbraw/zinc/37/54/06/1041375406.db2.gz GGZIDAWTJQWGAZ-GWCFXTLKSA-N 1 2 337.769 3.602 20 0 EHADLO Cc1cc(=O)[nH]c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000614347987 1041425762 /nfs/dbraw/zinc/42/57/62/1041425762.db2.gz DONKYHCKCWXQPM-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO C[C@@H]1CC[C@@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000432084132 1041566306 /nfs/dbraw/zinc/56/63/06/1041566306.db2.gz CUFOTKSQCQDMKL-HZPDHXFCSA-N 1 2 342.443 3.520 20 0 EHADLO Cc1nc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2nc1C ZINC000043485647 1041578811 /nfs/dbraw/zinc/57/88/11/1041578811.db2.gz CRRFNGDFBISVDI-UHFFFAOYSA-N 1 2 343.390 3.685 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000432092653 1041582818 /nfs/dbraw/zinc/58/28/18/1041582818.db2.gz QAFCVOPXMLYKJI-DOTOQJQBSA-N 1 2 343.471 3.510 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)on1 ZINC000047273569 1041604500 /nfs/dbraw/zinc/60/45/00/1041604500.db2.gz YAKJOQZXFSUJMI-FUHWJXTLSA-N 1 2 341.455 3.614 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)on1 ZINC000047273569 1041604507 /nfs/dbraw/zinc/60/45/07/1041604507.db2.gz YAKJOQZXFSUJMI-FUHWJXTLSA-N 1 2 341.455 3.614 20 0 EHADLO Clc1cccc([C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)c1 ZINC000432128638 1041629549 /nfs/dbraw/zinc/62/95/49/1041629549.db2.gz HFQBHIIVBGKPEY-HNNXBMFYSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1cccc([C@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)c1 ZINC000432128638 1041629550 /nfs/dbraw/zinc/62/95/50/1041629550.db2.gz HFQBHIIVBGKPEY-HNNXBMFYSA-N 1 2 328.847 3.724 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000332677215 1041692696 /nfs/dbraw/zinc/69/26/96/1041692696.db2.gz DXOXKBWCEMJTFA-HOCLYGCPSA-N 1 2 336.439 3.912 20 0 EHADLO Fc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1OC(F)F ZINC000660587896 1041706983 /nfs/dbraw/zinc/70/69/83/1041706983.db2.gz WJEBRFFHZFPGJS-LBPRGKRZSA-N 1 2 345.752 3.724 20 0 EHADLO Fc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1OC(F)F ZINC000660587896 1041706991 /nfs/dbraw/zinc/70/69/91/1041706991.db2.gz WJEBRFFHZFPGJS-LBPRGKRZSA-N 1 2 345.752 3.724 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628836 1041734372 /nfs/dbraw/zinc/73/43/72/1041734372.db2.gz XIUKZDXKFFMACT-HNNXBMFYSA-N 1 2 343.858 3.862 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628836 1041734380 /nfs/dbraw/zinc/73/43/80/1041734380.db2.gz XIUKZDXKFFMACT-HNNXBMFYSA-N 1 2 343.858 3.862 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000466936290 1041751155 /nfs/dbraw/zinc/75/11/55/1041751155.db2.gz PVMWOQWGFKDYJE-HXUWFJFHSA-N 1 2 336.435 3.665 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000466936290 1041751159 /nfs/dbraw/zinc/75/11/59/1041751159.db2.gz PVMWOQWGFKDYJE-HXUWFJFHSA-N 1 2 336.435 3.665 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651600032 1041775042 /nfs/dbraw/zinc/77/50/42/1041775042.db2.gz LKYHETUGGNTTCN-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651606647 1041778518 /nfs/dbraw/zinc/77/85/18/1041778518.db2.gz SZIHMJSBWUJONJ-DAXSKMNVSA-N 1 2 333.435 3.659 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000660704632 1041778816 /nfs/dbraw/zinc/77/88/16/1041778816.db2.gz BAJIVTXJWDOXCQ-NOZJJQNGSA-N 1 2 329.778 3.633 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000660704632 1041778820 /nfs/dbraw/zinc/77/88/20/1041778820.db2.gz BAJIVTXJWDOXCQ-NOZJJQNGSA-N 1 2 329.778 3.633 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000661136126 1041965131 /nfs/dbraw/zinc/96/51/31/1041965131.db2.gz ILCVXZVYYSFLHC-MRXNPFEDSA-N 1 2 333.453 3.637 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000661136126 1041965136 /nfs/dbraw/zinc/96/51/36/1041965136.db2.gz ILCVXZVYYSFLHC-MRXNPFEDSA-N 1 2 333.453 3.637 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)c(F)c1 ZINC000651726024 1041969481 /nfs/dbraw/zinc/96/94/81/1041969481.db2.gz YEVFBHKLHAFXJD-UHFFFAOYSA-N 1 2 329.293 3.865 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1F ZINC000651724886 1041971693 /nfs/dbraw/zinc/97/16/93/1041971693.db2.gz KPWFOEIGEABQBR-INIZCTEOSA-N 1 2 336.432 3.849 20 0 EHADLO c1coc(C2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)c1 ZINC000661162963 1041976700 /nfs/dbraw/zinc/97/67/00/1041976700.db2.gz ZRAGDHNNDYRNSY-UHFFFAOYSA-N 1 2 337.423 3.827 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2ccco2)CC1 ZINC000661162717 1041978332 /nfs/dbraw/zinc/97/83/32/1041978332.db2.gz FVZRDDXUGZEZIB-GFCCVEGCSA-N 1 2 334.366 3.764 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC000661172241 1041986088 /nfs/dbraw/zinc/98/60/88/1041986088.db2.gz QUFYXMDBBMFHDK-NRFANRHFSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCO1 ZINC000661172241 1041986096 /nfs/dbraw/zinc/98/60/96/1041986096.db2.gz QUFYXMDBBMFHDK-NRFANRHFSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786346 1042031786 /nfs/dbraw/zinc/03/17/86/1042031786.db2.gz SZGMTJWFCQMKPN-CZUORRHYSA-N 1 2 340.870 3.557 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651843345 1042098134 /nfs/dbraw/zinc/09/81/34/1042098134.db2.gz CDPWUGXFPMXFNI-CVEARBPZSA-N 1 2 331.504 3.873 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@H]2CCc3ccccc32)Cc2ccccc2C1 ZINC001167779527 1042144993 /nfs/dbraw/zinc/14/49/93/1042144993.db2.gz UKLPVXYXWWEBKF-GOSISDBHSA-N 1 2 349.474 3.797 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1F ZINC000651892745 1042150381 /nfs/dbraw/zinc/15/03/81/1042150381.db2.gz LPXBEFLWIXOZKB-ZMZPIMSZSA-N 1 2 347.821 3.578 20 0 EHADLO CN(CCCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890007 1042207441 /nfs/dbraw/zinc/20/74/41/1042207441.db2.gz MTUQBMJCKBOKSL-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000066889769 1042209883 /nfs/dbraw/zinc/20/98/83/1042209883.db2.gz KQEROFPREWZMSF-HXUWFJFHSA-N 1 2 346.434 3.823 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000596076897 1042261316 /nfs/dbraw/zinc/26/13/16/1042261316.db2.gz RJVRUFDPCQJUOJ-AWEZNQCLSA-N 1 2 328.412 3.757 20 0 EHADLO CCCC[N@H+](Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1F ZINC000473138540 1042266480 /nfs/dbraw/zinc/26/64/80/1042266480.db2.gz DZUBRDIICLUZSP-UHFFFAOYSA-N 1 2 347.434 3.538 20 0 EHADLO CCCC[N@@H+](Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1F ZINC000473138540 1042266487 /nfs/dbraw/zinc/26/64/87/1042266487.db2.gz DZUBRDIICLUZSP-UHFFFAOYSA-N 1 2 347.434 3.538 20 0 EHADLO C[C@H]([NH2+]C1(c2ccccc2Br)CCC1)c1nccn1C ZINC000652218672 1042274201 /nfs/dbraw/zinc/27/42/01/1042274201.db2.gz WHLNRQWAAOOVKM-LBPRGKRZSA-N 1 2 334.261 3.913 20 0 EHADLO Clc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898933 1042283144 /nfs/dbraw/zinc/28/31/44/1042283144.db2.gz GQIZQNLJDUILRC-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1ncccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898933 1042283145 /nfs/dbraw/zinc/28/31/45/1042283145.db2.gz GQIZQNLJDUILRC-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO Brc1ccc2[nH]c(NCc3ccc4c(c3)CCO4)[nH+]c2c1 ZINC001167782478 1042285885 /nfs/dbraw/zinc/28/58/85/1042285885.db2.gz NMPKJAXIPGWPQC-UHFFFAOYSA-N 1 2 344.212 3.872 20 0 EHADLO Brc1ccc2[nH+]c(NCc3ccc4c(c3)CCO4)[nH]c2c1 ZINC001167782478 1042285890 /nfs/dbraw/zinc/28/58/90/1042285890.db2.gz NMPKJAXIPGWPQC-UHFFFAOYSA-N 1 2 344.212 3.872 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1nc(-c2ccccn2)no1)CC1CC1 ZINC000661792496 1042328700 /nfs/dbraw/zinc/32/87/00/1042328700.db2.gz GJSSGPGPMLOUBD-UHFFFAOYSA-N 1 2 338.386 3.683 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1nc(-c2ccccn2)no1)CC1CC1 ZINC000661792496 1042328706 /nfs/dbraw/zinc/32/87/06/1042328706.db2.gz GJSSGPGPMLOUBD-UHFFFAOYSA-N 1 2 338.386 3.683 20 0 EHADLO Nc1nc(C[N@@H+](Cc2ccccc2F)CC2CC2)nc2ccccc12 ZINC000661793993 1042331790 /nfs/dbraw/zinc/33/17/90/1042331790.db2.gz OJPHMODKGINUAP-UHFFFAOYSA-N 1 2 336.414 3.763 20 0 EHADLO Nc1nc(C[N@H+](Cc2ccccc2F)CC2CC2)nc2ccccc12 ZINC000661793993 1042331797 /nfs/dbraw/zinc/33/17/97/1042331797.db2.gz OJPHMODKGINUAP-UHFFFAOYSA-N 1 2 336.414 3.763 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H]2CC3(CO2)CCCCC3)CCCC1 ZINC001167783971 1042362088 /nfs/dbraw/zinc/36/20/88/1042362088.db2.gz BOCFXDQOZCDVFR-INIZCTEOSA-N 1 2 337.504 3.970 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661859369 1042367990 /nfs/dbraw/zinc/36/79/90/1042367990.db2.gz VDGGRRGWPQFGNT-RDBSUJKOSA-N 1 2 349.862 3.874 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661859369 1042367996 /nfs/dbraw/zinc/36/79/96/1042367996.db2.gz VDGGRRGWPQFGNT-RDBSUJKOSA-N 1 2 349.862 3.874 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2ncc(Br)s2)c1 ZINC000652331175 1042378929 /nfs/dbraw/zinc/37/89/29/1042378929.db2.gz ZVJDTQWCBOJDCM-MRVPVSSYSA-N 1 2 328.235 3.620 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1ccc(Br)cc1F)CC2 ZINC000661954463 1042426653 /nfs/dbraw/zinc/42/66/53/1042426653.db2.gz XAUHMZJVKCOSNP-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC4(CCCC4)OC[C@H]3C)co2)cc1 ZINC000661987099 1042445407 /nfs/dbraw/zinc/44/54/07/1042445407.db2.gz NJPJICPGWHEELI-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC4(CCCC4)OC[C@H]3C)co2)cc1 ZINC000661987099 1042445410 /nfs/dbraw/zinc/44/54/10/1042445410.db2.gz NJPJICPGWHEELI-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000652445378 1042481271 /nfs/dbraw/zinc/48/12/71/1042481271.db2.gz XLEQBXKMVNXEOH-HNNXBMFYSA-N 1 2 331.504 3.825 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662048229 1042482106 /nfs/dbraw/zinc/48/21/06/1042482106.db2.gz VNEDAMQMLRXVMF-UHFFFAOYSA-N 1 2 330.819 3.594 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662094407 1042515227 /nfs/dbraw/zinc/51/52/27/1042515227.db2.gz BEMWOPMJGIPUOJ-OLZOCXBDSA-N 1 2 332.188 3.620 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662094407 1042515230 /nfs/dbraw/zinc/51/52/30/1042515230.db2.gz BEMWOPMJGIPUOJ-OLZOCXBDSA-N 1 2 332.188 3.620 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000662258357 1042641717 /nfs/dbraw/zinc/64/17/17/1042641717.db2.gz WJVCLDAFINKLKB-UHFFFAOYSA-N 1 2 346.500 3.622 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000662258357 1042641721 /nfs/dbraw/zinc/64/17/21/1042641721.db2.gz WJVCLDAFINKLKB-UHFFFAOYSA-N 1 2 346.500 3.622 20 0 EHADLO C[N@H+](CC1=CCSC1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000662267448 1042644595 /nfs/dbraw/zinc/64/45/95/1042644595.db2.gz FYHNWCBTQZFKIC-UHFFFAOYSA-N 1 2 343.471 3.605 20 0 EHADLO C[N@@H+](CC1=CCSC1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000662267448 1042644597 /nfs/dbraw/zinc/64/45/97/1042644597.db2.gz FYHNWCBTQZFKIC-UHFFFAOYSA-N 1 2 343.471 3.605 20 0 EHADLO CSc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000043157184 1042654354 /nfs/dbraw/zinc/65/43/54/1042654354.db2.gz FJQQXUYYYQSVME-UHFFFAOYSA-N 1 2 342.468 3.725 20 0 EHADLO Cc1c(N[C@@H](C)c2ccccn2)nc[nH+]c1N[C@@H](C)c1ccccn1 ZINC000663325406 1042692743 /nfs/dbraw/zinc/69/27/43/1042692743.db2.gz JENBSMUMULPRAS-GJZGRUSLSA-N 1 2 334.427 3.921 20 0 EHADLO CC12CC(C1)C[N@@H+]2Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000662383331 1042698403 /nfs/dbraw/zinc/69/84/03/1042698403.db2.gz YAQJUFAIMDOULP-UHFFFAOYSA-N 1 2 327.409 3.641 20 0 EHADLO CC12CC(C1)C[N@H+]2Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000662383331 1042698404 /nfs/dbraw/zinc/69/84/04/1042698404.db2.gz YAQJUFAIMDOULP-UHFFFAOYSA-N 1 2 327.409 3.641 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000162930150 1042771906 /nfs/dbraw/zinc/77/19/06/1042771906.db2.gz JWFXMICHIBPVEY-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000162930150 1042771912 /nfs/dbraw/zinc/77/19/12/1042771912.db2.gz JWFXMICHIBPVEY-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)o3)CC2)s1 ZINC000128719950 1042874220 /nfs/dbraw/zinc/87/42/20/1042874220.db2.gz ABDCMOCICKZLHK-UHFFFAOYSA-N 1 2 338.860 3.515 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000343940769 1042889786 /nfs/dbraw/zinc/88/97/86/1042889786.db2.gz NXIYUVOSBUXURO-KRWDZBQOSA-N 1 2 328.460 3.674 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000343940769 1042889791 /nfs/dbraw/zinc/88/97/91/1042889791.db2.gz NXIYUVOSBUXURO-KRWDZBQOSA-N 1 2 328.460 3.674 20 0 EHADLO CC(C)(C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000663477264 1042908849 /nfs/dbraw/zinc/90/88/49/1042908849.db2.gz CUQONIWJKONWKK-ZDUSSCGKSA-N 1 2 330.329 3.601 20 0 EHADLO CC(C)(C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)CC(F)(F)F ZINC000663477264 1042908850 /nfs/dbraw/zinc/90/88/50/1042908850.db2.gz CUQONIWJKONWKK-ZDUSSCGKSA-N 1 2 330.329 3.601 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000408275252 1042927607 /nfs/dbraw/zinc/92/76/07/1042927607.db2.gz WUKFJSRDURCAMF-JSGCOSHPSA-N 1 2 346.500 3.669 20 0 EHADLO CC[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CCCCC1 ZINC000663524604 1042975683 /nfs/dbraw/zinc/97/56/83/1042975683.db2.gz ZEJCUXYLKVQBCE-INIZCTEOSA-N 1 2 332.492 3.599 20 0 EHADLO CC[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CCCCC1 ZINC000663524604 1042975684 /nfs/dbraw/zinc/97/56/84/1042975684.db2.gz ZEJCUXYLKVQBCE-INIZCTEOSA-N 1 2 332.492 3.599 20 0 EHADLO COC(=O)[C@H]1CC[C@H]([NH2+]c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001167831067 1042985835 /nfs/dbraw/zinc/98/58/35/1042985835.db2.gz QSKYYNHRRCNGDI-CZIWCDLHSA-N 1 2 328.456 3.529 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)CC1 ZINC001167831067 1042985838 /nfs/dbraw/zinc/98/58/38/1042985838.db2.gz QSKYYNHRRCNGDI-CZIWCDLHSA-N 1 2 328.456 3.529 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000604847626 1042994597 /nfs/dbraw/zinc/99/45/97/1042994597.db2.gz XPVAGCFCWWAZRO-FUHWJXTLSA-N 1 2 330.472 3.674 20 0 EHADLO C[N@H+](CCc1cc(Cl)cc(Cl)c1)Cc1ncnn1CC(F)F ZINC000279014531 1043200679 /nfs/dbraw/zinc/20/06/79/1043200679.db2.gz VFLGZWWMMVIXHZ-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO C[N@@H+](CCc1cc(Cl)cc(Cl)c1)Cc1ncnn1CC(F)F ZINC000279014531 1043200694 /nfs/dbraw/zinc/20/06/94/1043200694.db2.gz VFLGZWWMMVIXHZ-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+](C)Cc1ccccc1N(C)C ZINC000344077658 1043214389 /nfs/dbraw/zinc/21/43/89/1043214389.db2.gz WTQCSPPIVMRFTI-UHFFFAOYSA-N 1 2 340.446 3.893 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+](C)Cc1ccccc1N(C)C ZINC000344077658 1043214401 /nfs/dbraw/zinc/21/44/01/1043214401.db2.gz WTQCSPPIVMRFTI-UHFFFAOYSA-N 1 2 340.446 3.893 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000344096647 1043236284 /nfs/dbraw/zinc/23/62/84/1043236284.db2.gz CCRTWEPPWNFRFS-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000344096647 1043236292 /nfs/dbraw/zinc/23/62/92/1043236292.db2.gz CCRTWEPPWNFRFS-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO c1nnc([C@@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000279098184 1043347309 /nfs/dbraw/zinc/34/73/09/1043347309.db2.gz UZWRLVPQSPLHAQ-KRWDZBQOSA-N 1 2 336.464 3.809 20 0 EHADLO Cc1nc(N2CCC(Nc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000279116618 1043386143 /nfs/dbraw/zinc/38/61/43/1043386143.db2.gz PRNGQENINCRMTQ-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO CCc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000050335229 1043393441 /nfs/dbraw/zinc/39/34/41/1043393441.db2.gz GLNAPCNEKIZSAH-UHFFFAOYSA-N 1 2 330.388 3.591 20 0 EHADLO C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344200210 1043413333 /nfs/dbraw/zinc/41/33/33/1043413333.db2.gz ONMSTKQDMZDZIM-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO Cc1ccccc1CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000344207937 1043426883 /nfs/dbraw/zinc/42/68/83/1043426883.db2.gz JJQHUWQCSDEYRW-UHFFFAOYSA-N 1 2 331.419 3.986 20 0 EHADLO O=C1[C@H]([N@@H+]2CCCc3occc3C2)CCN1c1ccc(F)c(Cl)c1 ZINC000344232205 1043490902 /nfs/dbraw/zinc/49/09/02/1043490902.db2.gz GJEJUKYCJBJCLN-MRXNPFEDSA-N 1 2 348.805 3.626 20 0 EHADLO O=C1[C@H]([N@H+]2CCCc3occc3C2)CCN1c1ccc(F)c(Cl)c1 ZINC000344232205 1043490907 /nfs/dbraw/zinc/49/09/07/1043490907.db2.gz GJEJUKYCJBJCLN-MRXNPFEDSA-N 1 2 348.805 3.626 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000344252429 1043520945 /nfs/dbraw/zinc/52/09/45/1043520945.db2.gz QEHYHDPUEDCXQR-QWHCGFSZSA-N 1 2 343.374 3.519 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000344252429 1043520954 /nfs/dbraw/zinc/52/09/54/1043520954.db2.gz QEHYHDPUEDCXQR-QWHCGFSZSA-N 1 2 343.374 3.519 20 0 EHADLO O=C(NCCCSc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344255412 1043543988 /nfs/dbraw/zinc/54/39/88/1043543988.db2.gz PSHNPYKMNVMJQN-UHFFFAOYSA-N 1 2 337.448 3.785 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)cs1 ZINC000344335107 1043677711 /nfs/dbraw/zinc/67/77/11/1043677711.db2.gz RBWMRVLHOVLTHT-CYBMUJFWSA-N 1 2 348.516 3.922 20 0 EHADLO CCC(CC)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434129659 1043704546 /nfs/dbraw/zinc/70/45/46/1043704546.db2.gz ZZNBRQARJRLNTL-UHFFFAOYSA-N 1 2 332.492 3.545 20 0 EHADLO FC(F)(F)c1ccccc1Oc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000344351700 1043711536 /nfs/dbraw/zinc/71/15/36/1043711536.db2.gz NMQLPMTZZDWCCX-UHFFFAOYSA-N 1 2 348.328 3.906 20 0 EHADLO COc1cc(CC2CN(c3[nH+]ccc4c(N)cccc43)C2)cc(OC)c1 ZINC000663706207 1043749478 /nfs/dbraw/zinc/74/94/78/1043749478.db2.gz MDIGOUOUOHOTDX-UHFFFAOYSA-N 1 2 349.434 3.513 20 0 EHADLO C[C@H]1CCN(c2cc(Cl)c3ncccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000663714364 1043789100 /nfs/dbraw/zinc/78/91/00/1043789100.db2.gz SXTUBIREADJPRA-WFASDCNBSA-N 1 2 327.819 3.567 20 0 EHADLO CCC[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000344408217 1043974706 /nfs/dbraw/zinc/97/47/06/1043974706.db2.gz YBNKELMZYSLBJF-INIZCTEOSA-N 1 2 348.397 3.612 20 0 EHADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000279356702 1043988389 /nfs/dbraw/zinc/98/83/89/1043988389.db2.gz FSHWXFXDIDGSCH-UHFFFAOYSA-N 1 2 343.374 3.944 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(Cl)nc3)n2)c1 ZINC000279416914 1044058812 /nfs/dbraw/zinc/05/88/12/1044058812.db2.gz FJRMLTLRALBMHD-NEPJUHHUSA-N 1 2 342.834 3.635 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000279532960 1044187296 /nfs/dbraw/zinc/18/72/96/1044187296.db2.gz WEDYZDANUQLGFE-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccccn3)s2)s1 ZINC000344626803 1044210477 /nfs/dbraw/zinc/21/04/77/1044210477.db2.gz CYKMDJROCNVEMI-UHFFFAOYSA-N 1 2 345.497 3.644 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cs1 ZINC000279680549 1044403709 /nfs/dbraw/zinc/40/37/09/1044403709.db2.gz IWFXALXUCVQVOO-QGZVFWFLSA-N 1 2 347.459 3.822 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC000614001223 1044675998 /nfs/dbraw/zinc/67/59/98/1044675998.db2.gz VNSSCOFWLINWJX-UHFFFAOYSA-N 1 2 325.456 3.875 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000512329949 1044679264 /nfs/dbraw/zinc/67/92/64/1044679264.db2.gz UWAZNCOKNVIFBT-BSIFCXSSSA-N 1 2 349.478 3.730 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC(C1CCC1)C1CCC1 ZINC000345019267 1044827366 /nfs/dbraw/zinc/82/73/66/1044827366.db2.gz WVSYFOOFSCBSFD-UHFFFAOYSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000620340771 1125554014 /nfs/dbraw/zinc/55/40/14/1125554014.db2.gz SIGBJGZYOYHVQM-RYUDHWBXSA-N 1 2 325.334 3.730 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000620409925 1125568739 /nfs/dbraw/zinc/56/87/39/1125568739.db2.gz KGFYBZKGARNJHR-IBGZPJMESA-N 1 2 329.419 3.850 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000183445795 1125569166 /nfs/dbraw/zinc/56/91/66/1125569166.db2.gz ZLGXOEATIWZHOO-AZUAARDMSA-N 1 2 336.435 3.605 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000183445795 1125569170 /nfs/dbraw/zinc/56/91/70/1125569170.db2.gz ZLGXOEATIWZHOO-AZUAARDMSA-N 1 2 336.435 3.605 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)c1 ZINC000183474463 1125577031 /nfs/dbraw/zinc/57/70/31/1125577031.db2.gz LPZRHTTVRUPNPY-HNNXBMFYSA-N 1 2 343.858 3.780 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)c1 ZINC000183474463 1125577036 /nfs/dbraw/zinc/57/70/36/1125577036.db2.gz LPZRHTTVRUPNPY-HNNXBMFYSA-N 1 2 343.858 3.780 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(CC(C)C)CCC1 ZINC000153611758 1125637571 /nfs/dbraw/zinc/63/75/71/1125637571.db2.gz IZCRZYKGZSUKMI-UHFFFAOYSA-N 1 2 344.499 3.982 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CCN1CCCC1=O ZINC000153631174 1125640298 /nfs/dbraw/zinc/64/02/98/1125640298.db2.gz HYAPQGNVGUFCCJ-ZDUSSCGKSA-N 1 2 347.846 3.610 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCN1CCCC1=O ZINC000153631174 1125640301 /nfs/dbraw/zinc/64/03/01/1125640301.db2.gz HYAPQGNVGUFCCJ-ZDUSSCGKSA-N 1 2 347.846 3.610 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CCN1CCCC1=O ZINC000153631268 1125640350 /nfs/dbraw/zinc/64/03/50/1125640350.db2.gz HYAPQGNVGUFCCJ-CYBMUJFWSA-N 1 2 347.846 3.610 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCN1CCCC1=O ZINC000153631268 1125640353 /nfs/dbraw/zinc/64/03/53/1125640353.db2.gz HYAPQGNVGUFCCJ-CYBMUJFWSA-N 1 2 347.846 3.610 20 0 EHADLO Cc1ccccc1C1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000153699218 1125650356 /nfs/dbraw/zinc/65/03/56/1125650356.db2.gz ACBMPGDXXFHTSZ-KRWDZBQOSA-N 1 2 339.483 3.846 20 0 EHADLO CN(CCO)c1ccc([NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000183741276 1125760106 /nfs/dbraw/zinc/76/01/06/1125760106.db2.gz JTUORCOXTYYJIK-UHFFFAOYSA-N 1 2 330.394 3.896 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000154894652 1125764473 /nfs/dbraw/zinc/76/44/73/1125764473.db2.gz VJAXSOMAKPGVFZ-MRXNPFEDSA-N 1 2 343.858 3.855 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000154894652 1125764477 /nfs/dbraw/zinc/76/44/77/1125764477.db2.gz VJAXSOMAKPGVFZ-MRXNPFEDSA-N 1 2 343.858 3.855 20 0 EHADLO CC(C)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC000154933746 1125767586 /nfs/dbraw/zinc/76/75/86/1125767586.db2.gz OJTRSBFZGSQTHF-UHFFFAOYSA-N 1 2 343.471 3.998 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000622473491 1126705002 /nfs/dbraw/zinc/70/50/02/1126705002.db2.gz OJYHWXWFGVDHHD-UHFFFAOYSA-N 1 2 333.382 3.596 20 0 EHADLO CC1(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000622546066 1126715598 /nfs/dbraw/zinc/71/55/98/1126715598.db2.gz FKHLLWIVHOPWER-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO CC1(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000622546066 1126715603 /nfs/dbraw/zinc/71/56/03/1126715603.db2.gz FKHLLWIVHOPWER-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 ZINC000622685626 1126742611 /nfs/dbraw/zinc/74/26/11/1126742611.db2.gz BQNIWYDGUAVMGN-AWEZNQCLSA-N 1 2 345.512 3.605 20 0 EHADLO CCN(c1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1)C(C)C ZINC000622667376 1126743846 /nfs/dbraw/zinc/74/38/46/1126743846.db2.gz CNHMZCMKKFBGHX-UHFFFAOYSA-N 1 2 325.456 3.863 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)NCc3c[nH+]c(C)cc3C)c2)cc1 ZINC000622667633 1126739720 /nfs/dbraw/zinc/73/97/20/1126739720.db2.gz NMUTZIBJGUSTHN-UHFFFAOYSA-N 1 2 331.419 3.999 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000072514650 1126742049 /nfs/dbraw/zinc/74/20/49/1126742049.db2.gz NVGUNLJISCNZEB-QGZVFWFLSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000072514650 1126742052 /nfs/dbraw/zinc/74/20/52/1126742052.db2.gz NVGUNLJISCNZEB-QGZVFWFLSA-N 1 2 347.846 3.572 20 0 EHADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000171119277 1126751779 /nfs/dbraw/zinc/75/17/79/1126751779.db2.gz ZOEYKNQENINOIM-CRAIPNDOSA-N 1 2 336.435 3.841 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C3OCCO3)cs2)cc1 ZINC000072600455 1126794739 /nfs/dbraw/zinc/79/47/39/1126794739.db2.gz ONAPVEGKHBSVRX-KRWDZBQOSA-N 1 2 344.480 3.846 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C3OCCO3)cs2)cc1 ZINC000072600455 1126794742 /nfs/dbraw/zinc/79/47/42/1126794742.db2.gz ONAPVEGKHBSVRX-KRWDZBQOSA-N 1 2 344.480 3.846 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000072630260 1126813709 /nfs/dbraw/zinc/81/37/09/1126813709.db2.gz XKRQFSMGQOCRRG-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000072630260 1126813711 /nfs/dbraw/zinc/81/37/11/1126813711.db2.gz XKRQFSMGQOCRRG-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000447829842 1126819388 /nfs/dbraw/zinc/81/93/88/1126819388.db2.gz HKMLCZSONHAILV-KURKYZTESA-N 1 2 346.519 3.914 20 0 EHADLO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000173220338 1126826786 /nfs/dbraw/zinc/82/67/86/1126826786.db2.gz GZTSAGWIPJJRQO-BDAKNGLRSA-N 1 2 337.411 3.506 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000623121724 1126880014 /nfs/dbraw/zinc/88/00/14/1126880014.db2.gz FVOHYVAYJVBYBN-NSHDSACASA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000623121724 1126880018 /nfs/dbraw/zinc/88/00/18/1126880018.db2.gz FVOHYVAYJVBYBN-NSHDSACASA-N 1 2 336.785 3.792 20 0 EHADLO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)ccc1F ZINC000623232157 1126899486 /nfs/dbraw/zinc/89/94/86/1126899486.db2.gz WQVHNPJFYFVAAI-ROUUACIJSA-N 1 2 330.378 3.719 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623253529 1126902841 /nfs/dbraw/zinc/90/28/41/1126902841.db2.gz CHVBNKUQIPZCQP-ZDUSSCGKSA-N 1 2 339.361 3.902 20 0 EHADLO CC(=O)Oc1ccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC000185466219 1126903705 /nfs/dbraw/zinc/90/37/05/1126903705.db2.gz ZRMCSVZNCSOOPV-OAHLLOKOSA-N 1 2 344.480 3.552 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623259165 1126907202 /nfs/dbraw/zinc/90/72/02/1126907202.db2.gz SVYZUSJXWKYYAG-KLRDNXEFSA-N 1 2 329.488 3.557 20 0 EHADLO CCOc1ccc(NC(=O)CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000623283620 1126908894 /nfs/dbraw/zinc/90/88/94/1126908894.db2.gz YBCMWNUQHIKZIT-UHFFFAOYSA-N 1 2 341.333 3.720 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623306310 1126911409 /nfs/dbraw/zinc/91/14/09/1126911409.db2.gz KLXQSGZCOCRLPR-MAUKXSAKSA-N 1 2 325.456 3.631 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000623292774 1126911783 /nfs/dbraw/zinc/91/17/83/1126911783.db2.gz XJNBUZWRVMFUNK-UHFFFAOYSA-N 1 2 348.406 3.554 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2nnc(CC)o2)C(C)C)cc1OCC ZINC000192507688 1126914773 /nfs/dbraw/zinc/91/47/73/1126914773.db2.gz AKBDUGNFYJAEBA-IBGZPJMESA-N 1 2 347.459 3.916 20 0 EHADLO Cc1cccc([C@H](NC(=O)NCCCCn2cc[nH+]c2)C(C)C)c1 ZINC000623487277 1126965563 /nfs/dbraw/zinc/96/55/63/1126965563.db2.gz ZLOWRJSCQGTJTH-GOSISDBHSA-N 1 2 328.460 3.668 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178162317 1127011581 /nfs/dbraw/zinc/01/15/81/1127011581.db2.gz JVLIISHHWBGCEE-UHFFFAOYSA-N 1 2 349.438 3.565 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178187546 1127012107 /nfs/dbraw/zinc/01/21/07/1127012107.db2.gz VUVANMQLPAKIPE-AWEZNQCLSA-N 1 2 338.411 3.833 20 0 EHADLO CCCOc1ccc(Cl)cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000350196963 1127066844 /nfs/dbraw/zinc/06/68/44/1127066844.db2.gz MJPQNZLNIVBMOU-UHFFFAOYSA-N 1 2 332.791 3.503 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1C ZINC000179894801 1127098516 /nfs/dbraw/zinc/09/85/16/1127098516.db2.gz CKOZJVRQEBLPOH-NEPJUHHUSA-N 1 2 335.375 3.934 20 0 EHADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000180216238 1127133194 /nfs/dbraw/zinc/13/31/94/1127133194.db2.gz NWJDONHDJQMBHX-UHFFFAOYSA-N 1 2 329.762 3.941 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000180801941 1127187638 /nfs/dbraw/zinc/18/76/38/1127187638.db2.gz DKWMJDSMLBFXCB-LBPRGKRZSA-N 1 2 349.360 3.615 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000180801941 1127187642 /nfs/dbraw/zinc/18/76/42/1127187642.db2.gz DKWMJDSMLBFXCB-LBPRGKRZSA-N 1 2 349.360 3.615 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000623904619 1127212437 /nfs/dbraw/zinc/21/24/37/1127212437.db2.gz GIWFNLMMIVOVKL-SNVBAGLBSA-N 1 2 328.384 3.912 20 0 EHADLO CCCCCC(=O)NC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000623911895 1127213773 /nfs/dbraw/zinc/21/37/73/1127213773.db2.gz RWVCBHYGGMCPFS-UHFFFAOYSA-N 1 2 325.456 3.900 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000623945960 1127219859 /nfs/dbraw/zinc/21/98/59/1127219859.db2.gz JPQDBHPXRQFAOW-UHFFFAOYSA-N 1 2 347.409 3.763 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc(C)sc1C ZINC000624009076 1127231608 /nfs/dbraw/zinc/23/16/08/1127231608.db2.gz OFJNHPMKDCEGES-HUUCEWRRSA-N 1 2 334.489 3.966 20 0 EHADLO C[C@@H]1CCN(c2cnc3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000624035093 1127237849 /nfs/dbraw/zinc/23/78/49/1127237849.db2.gz JMINHAJVZWUCAH-MLGOLLRUSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1cccn2c(CNc3ccc(Br)nc3C)c[nH+]c12 ZINC000186061949 1127246963 /nfs/dbraw/zinc/24/69/63/1127246963.db2.gz WRXQFJHGNISVOG-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000181507363 1127280178 /nfs/dbraw/zinc/28/01/78/1127280178.db2.gz OAIFPTNEGOUUST-INIZCTEOSA-N 1 2 326.440 3.922 20 0 EHADLO Cc1cccc(C2=CCN(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)c1 ZINC000181506040 1127280342 /nfs/dbraw/zinc/28/03/42/1127280342.db2.gz ROEOJISHDXFMBW-UHFFFAOYSA-N 1 2 346.434 3.642 20 0 EHADLO COc1cccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000181752528 1127294500 /nfs/dbraw/zinc/29/45/00/1127294500.db2.gz KFMMNYAUOSSUFR-LLVKDONJSA-N 1 2 336.794 3.777 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000186143585 1127338502 /nfs/dbraw/zinc/33/85/02/1127338502.db2.gz JFGHZUSDVCTGMS-INIZCTEOSA-N 1 2 334.347 3.810 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000186143585 1127338507 /nfs/dbraw/zinc/33/85/07/1127338507.db2.gz JFGHZUSDVCTGMS-INIZCTEOSA-N 1 2 334.347 3.810 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCC2 ZINC000182615717 1127339682 /nfs/dbraw/zinc/33/96/82/1127339682.db2.gz RJOVKGUZIJAUOQ-OALUTQOASA-N 1 2 330.472 3.591 20 0 EHADLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(F)ccc1F ZINC000182875834 1127351836 /nfs/dbraw/zinc/35/18/36/1127351836.db2.gz RWODORXUYLWQSX-QGZVFWFLSA-N 1 2 333.382 3.760 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000182880723 1127352112 /nfs/dbraw/zinc/35/21/12/1127352112.db2.gz GNZHLOXRFWGEFD-ZDUSSCGKSA-N 1 2 349.381 3.693 20 0 EHADLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(C)ccc1OC ZINC000182889002 1127352198 /nfs/dbraw/zinc/35/21/98/1127352198.db2.gz NDCXJLBPSCCQGE-SFHVURJKSA-N 1 2 341.455 3.798 20 0 EHADLO OCc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1F ZINC000183400554 1127375742 /nfs/dbraw/zinc/37/57/42/1127375742.db2.gz YCRAFMRRONNURA-FQEVSTJZSA-N 1 2 340.373 3.731 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184144031 1127395516 /nfs/dbraw/zinc/39/55/16/1127395516.db2.gz CKWRRQOHMHMHBI-GOSISDBHSA-N 1 2 344.455 3.784 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000184185700 1127397705 /nfs/dbraw/zinc/39/77/05/1127397705.db2.gz ZTDFFTFVVMLORN-SFHVURJKSA-N 1 2 344.455 3.784 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NCCc2ccc(C(C)C)cc2)n1 ZINC000184209830 1127398216 /nfs/dbraw/zinc/39/82/16/1127398216.db2.gz AFWSJVNMPQDTDU-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1nccs1 ZINC000184451926 1127404786 /nfs/dbraw/zinc/40/47/86/1127404786.db2.gz RQNZCQMDSAQUPK-NXEZZACHSA-N 1 2 338.502 3.575 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184472105 1127405252 /nfs/dbraw/zinc/40/52/52/1127405252.db2.gz SJXOYQKLEMCJFF-ZDUSSCGKSA-N 1 2 331.485 3.754 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1nc(-c2ccccc2)cs1 ZINC000184533875 1127407686 /nfs/dbraw/zinc/40/76/86/1127407686.db2.gz FXBLWUCSZDBSKM-CYBMUJFWSA-N 1 2 335.436 3.704 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184730095 1127412658 /nfs/dbraw/zinc/41/26/58/1127412658.db2.gz FMUHFWNSOQUIBP-DOTOQJQBSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(CC)cc2)o1 ZINC000184773281 1127413215 /nfs/dbraw/zinc/41/32/15/1127413215.db2.gz YLLGOLZMHDUWEE-KDOFPFPSSA-N 1 2 344.455 3.709 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)s1 ZINC000184974669 1127417426 /nfs/dbraw/zinc/41/74/26/1127417426.db2.gz WQADPWKMBBRGFT-WMLDXEAASA-N 1 2 331.485 3.616 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NCCc2ccc(C(C)C)cc2)s1 ZINC000185007310 1127417946 /nfs/dbraw/zinc/41/79/46/1127417946.db2.gz UZKUWOKNQUCWIM-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1nc(C(C)(C)C)cs1 ZINC000185062670 1127419521 /nfs/dbraw/zinc/41/95/21/1127419521.db2.gz ZSHNBOKKIPSIBL-NSHDSACASA-N 1 2 345.472 3.680 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c1 ZINC000185376468 1127425820 /nfs/dbraw/zinc/42/58/20/1127425820.db2.gz PWUIWYRHUGKAJQ-OAHLLOKOSA-N 1 2 334.416 3.618 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000193308409 1127435259 /nfs/dbraw/zinc/43/52/59/1127435259.db2.gz ZVZOXXJWVICFHF-NRFANRHFSA-N 1 2 344.418 3.617 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc2ccccc21 ZINC000194388140 1127458634 /nfs/dbraw/zinc/45/86/34/1127458634.db2.gz NBUNYGINRDOLMJ-ZDUSSCGKSA-N 1 2 349.369 3.561 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc(F)c1 ZINC000194996978 1127471414 /nfs/dbraw/zinc/47/14/14/1127471414.db2.gz VJFSFBFSQXCVTM-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc(F)c1 ZINC000194996978 1127471416 /nfs/dbraw/zinc/47/14/16/1127471416.db2.gz VJFSFBFSQXCVTM-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC(C)C[N@H+](C)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000764930805 1127554603 /nfs/dbraw/zinc/55/46/03/1127554603.db2.gz QRPNQFFJVUZTFJ-UHFFFAOYSA-N 1 2 346.456 3.861 20 0 EHADLO CC(C)C[N@@H+](C)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000764930805 1127554606 /nfs/dbraw/zinc/55/46/06/1127554606.db2.gz QRPNQFFJVUZTFJ-UHFFFAOYSA-N 1 2 346.456 3.861 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C(C)(C)C)ccc2=O)CC12CCCCC2 ZINC000764956392 1127557716 /nfs/dbraw/zinc/55/77/16/1127557716.db2.gz SVCXWBRJHKFORV-MRXNPFEDSA-N 1 2 331.504 3.791 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)CC12CCCCC2 ZINC000764956392 1127557718 /nfs/dbraw/zinc/55/77/18/1127557718.db2.gz SVCXWBRJHKFORV-MRXNPFEDSA-N 1 2 331.504 3.791 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000765317998 1127598555 /nfs/dbraw/zinc/59/85/55/1127598555.db2.gz GZCQAZIHOSTKQO-CRAIPNDOSA-N 1 2 346.471 3.534 20 0 EHADLO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1nc(Br)c[nH]1 ZINC000921511758 1127603624 /nfs/dbraw/zinc/60/36/24/1127603624.db2.gz XDRMDGNRDLXMMH-SNVBAGLBSA-N 1 2 342.237 3.638 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1nc(Br)c[nH]1 ZINC000921511757 1127603960 /nfs/dbraw/zinc/60/39/60/1127603960.db2.gz XDRMDGNRDLXMMH-JTQLQIEISA-N 1 2 342.237 3.638 20 0 EHADLO C/C=C(/C=C\C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)CC ZINC000765430612 1127611009 /nfs/dbraw/zinc/61/10/09/1127611009.db2.gz ZGWOJDXQPLSRJO-UPBKXDMDSA-N 1 2 328.456 3.931 20 0 EHADLO C[N@H+](Cc1cc(-c2cccs2)on1)Cc1ccc2c(c1)OCCO2 ZINC000016381687 1127662482 /nfs/dbraw/zinc/66/24/82/1127662482.db2.gz KRBLITYGERTJRX-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO C[N@@H+](Cc1cc(-c2cccs2)on1)Cc1ccc2c(c1)OCCO2 ZINC000016381687 1127662483 /nfs/dbraw/zinc/66/24/83/1127662483.db2.gz KRBLITYGERTJRX-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO Cc1cc(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)on1 ZINC000021334094 1127682022 /nfs/dbraw/zinc/68/20/22/1127682022.db2.gz GURLZFBOCYSJFW-UHFFFAOYSA-N 1 2 341.455 3.575 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3cnn(CC4CCC4)c3)co2)c1 ZINC000921595312 1127760744 /nfs/dbraw/zinc/76/07/44/1127760744.db2.gz LANMTLPGRMGMML-UHFFFAOYSA-N 1 2 328.441 3.690 20 0 EHADLO C[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccs1 ZINC000265577238 1127778986 /nfs/dbraw/zinc/77/89/86/1127778986.db2.gz WZFHFPGKXRWHKC-GJZGRUSLSA-N 1 2 344.480 3.884 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3occ4c3CCC4)n2)C1 ZINC000671665639 1127785823 /nfs/dbraw/zinc/78/58/23/1127785823.db2.gz ZRSAUKLJXRHVHX-GFCCVEGCSA-N 1 2 345.468 3.709 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3occ4c3CCC4)n2)C1 ZINC000671665639 1127785825 /nfs/dbraw/zinc/78/58/25/1127785825.db2.gz ZRSAUKLJXRHVHX-GFCCVEGCSA-N 1 2 345.468 3.709 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccn(C)n1 ZINC000624289303 1127786843 /nfs/dbraw/zinc/78/68/43/1127786843.db2.gz IYBHHPMBQCAIEI-BMIGLBTASA-N 1 2 328.243 3.501 20 0 EHADLO O=S(=O)(Nc1ccc2[nH+]ccn2c1)c1cccc(-c2ccccc2)c1 ZINC000671667910 1127795571 /nfs/dbraw/zinc/79/55/71/1127795571.db2.gz CGYCJMOAVVKZQL-UHFFFAOYSA-N 1 2 349.415 3.802 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029914998 1127811127 /nfs/dbraw/zinc/81/11/27/1127811127.db2.gz OAYZUJFLTDNOHO-UHFFFAOYSA-N 1 2 330.391 3.774 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)[nH]c2c1 ZINC000030563995 1127820887 /nfs/dbraw/zinc/82/08/87/1127820887.db2.gz YYBAESPWWVGETP-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000031183558 1127830416 /nfs/dbraw/zinc/83/04/16/1127830416.db2.gz CSFZOAREHKLUQA-AWEZNQCLSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1coc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000031183558 1127830419 /nfs/dbraw/zinc/83/04/19/1127830419.db2.gz CSFZOAREHKLUQA-AWEZNQCLSA-N 1 2 342.420 3.675 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000032489249 1127852686 /nfs/dbraw/zinc/85/26/86/1127852686.db2.gz ATAPPZGRXCXKEP-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000032489249 1127852692 /nfs/dbraw/zinc/85/26/92/1127852692.db2.gz ATAPPZGRXCXKEP-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265634040 1127881589 /nfs/dbraw/zinc/88/15/89/1127881589.db2.gz KFFJPFUHUXQNJL-CRAIPNDOSA-N 1 2 325.456 3.872 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C(F)F)cc1 ZINC000338620654 1127916948 /nfs/dbraw/zinc/91/69/48/1127916948.db2.gz MKSIMHJZFYKBEU-UHFFFAOYSA-N 1 2 331.366 3.549 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517851 1127921534 /nfs/dbraw/zinc/92/15/34/1127921534.db2.gz HKSIEVCWJFGIMB-HIFRSBDPSA-N 1 2 336.505 3.829 20 0 EHADLO CCc1ccc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000043864756 1127928273 /nfs/dbraw/zinc/92/82/73/1127928273.db2.gz IDQHQOSLWDTKFV-CRAIPNDOSA-N 1 2 328.460 3.531 20 0 EHADLO c1ccc(-c2cccc(Nc3ccc[nH+]c3N3CCOCC3)n2)cc1 ZINC001212354067 1127928282 /nfs/dbraw/zinc/92/82/82/1127928282.db2.gz AAHHRNWSKOYMTO-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(OC2CCCC2)cc1 ZINC000044323495 1127934731 /nfs/dbraw/zinc/93/47/31/1127934731.db2.gz CHTPAHZDKBHPMF-UHFFFAOYSA-N 1 2 340.427 3.637 20 0 EHADLO CCCc1noc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741691 1127941221 /nfs/dbraw/zinc/94/12/21/1127941221.db2.gz DEGHRMSLHYFNTI-AWEZNQCLSA-N 1 2 348.878 3.554 20 0 EHADLO COc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC(F)F ZINC000045056579 1127945008 /nfs/dbraw/zinc/94/50/08/1127945008.db2.gz KMHKBGDNUWHPNJ-UHFFFAOYSA-N 1 2 347.321 3.734 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000045199122 1127947934 /nfs/dbraw/zinc/94/79/34/1127947934.db2.gz ZODAHFLQWBPWPR-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO CCCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000045294206 1127949624 /nfs/dbraw/zinc/94/96/24/1127949624.db2.gz YAHURHHBVQVAGN-UHFFFAOYSA-N 1 2 343.471 3.891 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1Br ZINC001212362513 1127997942 /nfs/dbraw/zinc/99/79/42/1127997942.db2.gz MVMXXCIFXAZIJB-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CC[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000056894570 1128031313 /nfs/dbraw/zinc/03/13/13/1128031313.db2.gz PXZSQZIAJQIWDC-KRWDZBQOSA-N 1 2 348.450 3.865 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]1c1ccccc1 ZINC000056894988 1128031411 /nfs/dbraw/zinc/03/14/11/1128031411.db2.gz CKVPMBXHGMNJQT-HXUWFJFHSA-N 1 2 346.434 3.919 20 0 EHADLO CC(C)Oc1c(F)cccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366202 1128040426 /nfs/dbraw/zinc/04/04/26/1128040426.db2.gz GMSRGHWNRBQXCV-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000057375618 1128045640 /nfs/dbraw/zinc/04/56/40/1128045640.db2.gz HYXYKGWKJYHDMU-KRWDZBQOSA-N 1 2 328.460 3.750 20 0 EHADLO CN(Cc1cccc2ccccc21)C(=O)NCCCCn1cc[nH+]c1 ZINC000057374901 1128045683 /nfs/dbraw/zinc/04/56/83/1128045683.db2.gz AQFCWFVILLWSJB-UHFFFAOYSA-N 1 2 336.439 3.658 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)ccn1 ZINC000347543821 1128065720 /nfs/dbraw/zinc/06/57/20/1128065720.db2.gz REBDRMTWMCTAPZ-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)ccn1 ZINC000347545731 1128068297 /nfs/dbraw/zinc/06/82/97/1128068297.db2.gz VSMYKKGZKBKHQS-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)ccn1 ZINC000347545730 1128068505 /nfs/dbraw/zinc/06/85/05/1128068505.db2.gz VSMYKKGZKBKHQS-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cccc(Cl)c2)c1C ZINC000058957707 1128086348 /nfs/dbraw/zinc/08/63/48/1128086348.db2.gz XGQAOXKACSNTIF-UHFFFAOYSA-N 1 2 346.858 3.952 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1CCc1ccccc1 ZINC000060408440 1128101177 /nfs/dbraw/zinc/10/11/77/1128101177.db2.gz KWMBISZHWLNRDQ-UHFFFAOYSA-N 1 2 347.462 3.879 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000063581720 1128147507 /nfs/dbraw/zinc/14/75/07/1128147507.db2.gz ROBCGAWVQDYBEN-KUHUBIRLSA-N 1 2 343.398 3.654 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000063581720 1128147508 /nfs/dbraw/zinc/14/75/08/1128147508.db2.gz ROBCGAWVQDYBEN-KUHUBIRLSA-N 1 2 343.398 3.654 20 0 EHADLO CSc1ccc(Cl)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000064563344 1128171203 /nfs/dbraw/zinc/17/12/03/1128171203.db2.gz XAJVSJQHKBDNOT-UHFFFAOYSA-N 1 2 336.848 3.691 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC000671749378 1128198529 /nfs/dbraw/zinc/19/85/29/1128198529.db2.gz PRCVATQDQOEUIW-AWEZNQCLSA-N 1 2 345.855 3.849 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000065607513 1128196112 /nfs/dbraw/zinc/19/61/12/1128196112.db2.gz VISCVWUROSMQQA-INIZCTEOSA-N 1 2 340.467 3.847 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000065607513 1128196116 /nfs/dbraw/zinc/19/61/16/1128196116.db2.gz VISCVWUROSMQQA-INIZCTEOSA-N 1 2 340.467 3.847 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2C)cc1 ZINC000065607317 1128196219 /nfs/dbraw/zinc/19/62/19/1128196219.db2.gz LYOKZTNRGJPLFN-HUUCEWRRSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2C)cc1 ZINC000065607317 1128196221 /nfs/dbraw/zinc/19/62/21/1128196221.db2.gz LYOKZTNRGJPLFN-HUUCEWRRSA-N 1 2 328.456 3.848 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067657439 1128245737 /nfs/dbraw/zinc/24/57/37/1128245737.db2.gz MWVZJHCWTZHAGV-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000068181782 1128261884 /nfs/dbraw/zinc/26/18/84/1128261884.db2.gz IHLUQZXKZVAEES-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)c1C ZINC000066854547 1128228948 /nfs/dbraw/zinc/22/89/48/1128228948.db2.gz OHVYZFHAWOASTQ-ZDUSSCGKSA-N 1 2 326.440 3.752 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@H](C)c2ccccc2)c1C ZINC000066854547 1128228951 /nfs/dbraw/zinc/22/89/51/1128228951.db2.gz OHVYZFHAWOASTQ-ZDUSSCGKSA-N 1 2 326.440 3.752 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067523436 1128242892 /nfs/dbraw/zinc/24/28/92/1128242892.db2.gz SDQGMQRUIZVQKV-UHFFFAOYSA-N 1 2 337.398 3.569 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000073557152 1128325152 /nfs/dbraw/zinc/32/51/52/1128325152.db2.gz WXQUNEXWIAQEAP-QFIPXVFZSA-N 1 2 341.414 3.942 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4[C@@H]5Cc6ccccc6[C@@H]54)n3)[nH+]c12 ZINC000624499513 1128379170 /nfs/dbraw/zinc/37/91/70/1128379170.db2.gz REEDXTAXKBJCOZ-NZSAHSFTSA-N 1 2 342.402 3.670 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815723 1128382977 /nfs/dbraw/zinc/38/29/77/1128382977.db2.gz XHTDJQAFYTVTJG-NSHDSACASA-N 1 2 330.653 3.904 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815723 1128382981 /nfs/dbraw/zinc/38/29/81/1128382981.db2.gz XHTDJQAFYTVTJG-NSHDSACASA-N 1 2 330.653 3.904 20 0 EHADLO Cc1occc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624535254 1128388779 /nfs/dbraw/zinc/38/87/79/1128388779.db2.gz FERUDEJJNKJKIV-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1occc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624535254 1128388782 /nfs/dbraw/zinc/38/87/82/1128388782.db2.gz FERUDEJJNKJKIV-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCSc4ccccc43)[nH+]c12 ZINC000624536573 1128388969 /nfs/dbraw/zinc/38/89/69/1128388969.db2.gz KZUCEPWGAUQUCE-INIZCTEOSA-N 1 2 337.448 3.539 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051582855 1128391019 /nfs/dbraw/zinc/39/10/19/1128391019.db2.gz XYMJIRGEEHPZDM-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO CCc1nc2cc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)ccc2o1 ZINC000624580656 1128398139 /nfs/dbraw/zinc/39/81/39/1128398139.db2.gz GJLSTKRQVXDDSA-UHFFFAOYSA-N 1 2 334.379 3.528 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C2CCCC2)cc1 ZINC000655813784 1128487945 /nfs/dbraw/zinc/48/79/45/1128487945.db2.gz HWAILVJXUSRXSB-SFHVURJKSA-N 1 2 327.476 3.758 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1cccc(F)c1F ZINC001116363129 1128493278 /nfs/dbraw/zinc/49/32/78/1128493278.db2.gz CDWHHLZHBQJIBF-CYBMUJFWSA-N 1 2 338.427 3.563 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873544 1128534198 /nfs/dbraw/zinc/53/41/98/1128534198.db2.gz DYEAYUGYKJFDNN-GOSISDBHSA-N 1 2 334.822 3.684 20 0 EHADLO Cn1cncc1C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000353580230 1128598348 /nfs/dbraw/zinc/59/83/48/1128598348.db2.gz WQTYCJGNSZRSHH-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO CC1(C)C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347661813 1128635911 /nfs/dbraw/zinc/63/59/11/1128635911.db2.gz ZDFXEEGLFBXHDK-UHFFFAOYSA-N 1 2 339.361 3.502 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347661813 1128635914 /nfs/dbraw/zinc/63/59/14/1128635914.db2.gz ZDFXEEGLFBXHDK-UHFFFAOYSA-N 1 2 339.361 3.502 20 0 EHADLO c1ccc(OC[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000542802986 1128645083 /nfs/dbraw/zinc/64/50/83/1128645083.db2.gz HOXKTVZTYJAELF-HNNXBMFYSA-N 1 2 327.428 3.628 20 0 EHADLO c1ccc(OC[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000542802986 1128645086 /nfs/dbraw/zinc/64/50/86/1128645086.db2.gz HOXKTVZTYJAELF-HNNXBMFYSA-N 1 2 327.428 3.628 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cccn4)C3)cs2)o1 ZINC000338725143 1128765132 /nfs/dbraw/zinc/76/51/32/1128765132.db2.gz QZJCMBHXIALDQX-OAHLLOKOSA-N 1 2 328.441 3.745 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cccn4)C3)cs2)o1 ZINC000338725143 1128765135 /nfs/dbraw/zinc/76/51/35/1128765135.db2.gz QZJCMBHXIALDQX-OAHLLOKOSA-N 1 2 328.441 3.745 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cc(C)ccc2OC(F)F)c1Cl ZINC000921832530 1128795079 /nfs/dbraw/zinc/79/50/79/1128795079.db2.gz CMRDQMDRZPBAFH-UHFFFAOYSA-N 1 2 329.778 3.582 20 0 EHADLO CC[NH2+]Cc1noc([C@@H](C)Sc2ccc(Br)cc2)n1 ZINC000843144211 1128791310 /nfs/dbraw/zinc/79/13/10/1128791310.db2.gz OAYSIAAKSDDCIX-SECBINFHSA-N 1 2 342.262 3.795 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H](C3CC3)[C@@H]3CCCCO3)c12 ZINC000656206827 1128817946 /nfs/dbraw/zinc/81/79/46/1128817946.db2.gz FAXXMYXTZUBJFB-ROUUACIJSA-N 1 2 349.438 3.575 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000075309243 1128854325 /nfs/dbraw/zinc/85/43/25/1128854325.db2.gz WBFMUMUCOVCRBH-BQFCYCMXSA-N 1 2 342.487 3.828 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC001648882931 1120060876 /nfs/dbraw/zinc/06/08/76/1120060876.db2.gz LBRUANBABNJDRP-LPHOPBHVSA-N 1 2 334.479 3.539 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC001648882931 1120060882 /nfs/dbraw/zinc/06/08/82/1120060882.db2.gz LBRUANBABNJDRP-LPHOPBHVSA-N 1 2 334.479 3.539 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c(C)[nH+]1 ZINC001670649128 1120096338 /nfs/dbraw/zinc/09/63/38/1120096338.db2.gz UMWWKWDHNKIQSC-CHWSQXEVSA-N 1 2 345.365 3.628 20 0 EHADLO CC(C)[C@@H]1CCCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687360856 1120176123 /nfs/dbraw/zinc/17/61/23/1120176123.db2.gz KYEMHCFDIPMJMF-RBUKOAKNSA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)[C@@H]1CCCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687360856 1120176124 /nfs/dbraw/zinc/17/61/24/1120176124.db2.gz KYEMHCFDIPMJMF-RBUKOAKNSA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)[C@@H]1CCCCCN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687360855 1120176132 /nfs/dbraw/zinc/17/61/32/1120176132.db2.gz KYEMHCFDIPMJMF-OALUTQOASA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)[C@@H]1CCCCCN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687360855 1120176135 /nfs/dbraw/zinc/17/61/35/1120176135.db2.gz KYEMHCFDIPMJMF-OALUTQOASA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000668812332 1120207287 /nfs/dbraw/zinc/20/72/87/1120207287.db2.gz LUDPWXYKNRQPJC-INIZCTEOSA-N 1 2 331.485 3.655 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001671255769 1120232075 /nfs/dbraw/zinc/23/20/75/1120232075.db2.gz OHQLPQKKKVVEFQ-HNNXBMFYSA-N 1 2 340.471 3.633 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110189373 1120243910 /nfs/dbraw/zinc/24/39/10/1120243910.db2.gz RTBLRYDAKNHMCS-AWEZNQCLSA-N 1 2 340.414 3.826 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110189373 1120243914 /nfs/dbraw/zinc/24/39/14/1120243914.db2.gz RTBLRYDAKNHMCS-AWEZNQCLSA-N 1 2 340.414 3.826 20 0 EHADLO CCCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)CC1 ZINC000441451786 1120273030 /nfs/dbraw/zinc/27/30/30/1120273030.db2.gz SHSFLJJWBHEJHP-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)CC1 ZINC000441451786 1120273036 /nfs/dbraw/zinc/27/30/36/1120273036.db2.gz SHSFLJJWBHEJHP-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105071386 1120314474 /nfs/dbraw/zinc/31/44/74/1120314474.db2.gz FAUQUGSUQBFGKO-KRWDZBQOSA-N 1 2 340.471 3.594 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000672298266 1128911630 /nfs/dbraw/zinc/91/16/30/1128911630.db2.gz OYCVPFPKIWDMRS-LJQANCHMSA-N 1 2 325.456 3.632 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccccc1OC(F)F ZINC000185846545 1120431778 /nfs/dbraw/zinc/43/17/78/1120431778.db2.gz PUTDJODXBXQYKJ-UHFFFAOYSA-N 1 2 347.365 3.896 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cccc(OC(F)F)c2)no1 ZINC000186416022 1120460274 /nfs/dbraw/zinc/46/02/74/1120460274.db2.gz SVPVCEWPCAASRY-UHFFFAOYSA-N 1 2 340.370 3.881 20 0 EHADLO Cn1cc(Br)c(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1 ZINC000393349806 1120534754 /nfs/dbraw/zinc/53/47/54/1120534754.db2.gz TVZBEFJPEXGVQX-UHFFFAOYSA-N 1 2 336.277 3.770 20 0 EHADLO CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc21 ZINC000494326946 1120535641 /nfs/dbraw/zinc/53/56/41/1120535641.db2.gz HSLJYDVXBMQDDA-UHFFFAOYSA-N 1 2 346.390 3.559 20 0 EHADLO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)c1 ZINC000189411874 1120583393 /nfs/dbraw/zinc/58/33/93/1120583393.db2.gz GIQKSQIWDDVRRR-UHFFFAOYSA-N 1 2 330.771 3.582 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccccc1OCC(F)(F)F)C1CCC1 ZINC000190091602 1120625893 /nfs/dbraw/zinc/62/58/93/1120625893.db2.gz HIKUABQOHTYVJV-GFCCVEGCSA-N 1 2 345.361 3.544 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CCC1 ZINC000190091602 1120625895 /nfs/dbraw/zinc/62/58/95/1120625895.db2.gz HIKUABQOHTYVJV-GFCCVEGCSA-N 1 2 345.361 3.544 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cc1 ZINC000191668773 1120684934 /nfs/dbraw/zinc/68/49/34/1120684934.db2.gz TYHWTMYNDXJZOC-LJQANCHMSA-N 1 2 327.472 3.774 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cc1 ZINC000191668773 1120684937 /nfs/dbraw/zinc/68/49/37/1120684937.db2.gz TYHWTMYNDXJZOC-LJQANCHMSA-N 1 2 327.472 3.774 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)CCS1 ZINC000192192255 1120723532 /nfs/dbraw/zinc/72/35/32/1120723532.db2.gz CVCXGEHIWYHVDP-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)CCS1 ZINC000192192255 1120723535 /nfs/dbraw/zinc/72/35/35/1120723535.db2.gz CVCXGEHIWYHVDP-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO Cc1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc[nH+]1 ZINC000195021831 1120760362 /nfs/dbraw/zinc/76/03/62/1120760362.db2.gz GVLGPFOZFLMAGY-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3nc(CC(C)C)no3)c2c1 ZINC000195533521 1120790610 /nfs/dbraw/zinc/79/06/10/1120790610.db2.gz FLOSIIHQNQBSQM-UHFFFAOYSA-N 1 2 327.384 3.712 20 0 EHADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)C(C)C ZINC000194459248 1120844981 /nfs/dbraw/zinc/84/49/81/1120844981.db2.gz LZROAXPPBBIZJP-MRXNPFEDSA-N 1 2 328.460 3.507 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)NCCCC3CCCCC3)CCC2)n1 ZINC000494816065 1120858493 /nfs/dbraw/zinc/85/84/93/1120858493.db2.gz NRZPATOXQXREKR-UHFFFAOYSA-N 1 2 349.544 3.897 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194937122 1120871771 /nfs/dbraw/zinc/87/17/71/1120871771.db2.gz OFZOWPBIQLTTDU-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1)COCc1ccccc1 ZINC000494915359 1120900261 /nfs/dbraw/zinc/90/02/61/1120900261.db2.gz OFRBZOKPOFFOMD-LPHOPBHVSA-N 1 2 342.487 3.869 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c(Br)cnn2C)s1 ZINC000494961755 1120915396 /nfs/dbraw/zinc/91/53/96/1120915396.db2.gz VJPVDWBTITUKBH-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)s1 ZINC000494961755 1120915398 /nfs/dbraw/zinc/91/53/98/1120915398.db2.gz VJPVDWBTITUKBH-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO CCCC[N@H+](Cn1ncn(CCc2cccs2)c1=S)C1CC1 ZINC000914785455 1120986751 /nfs/dbraw/zinc/98/67/51/1120986751.db2.gz ZFNCTVLBDFGPTE-UHFFFAOYSA-N 1 2 336.530 3.940 20 0 EHADLO CCCC[N@@H+](Cn1ncn(CCc2cccs2)c1=S)C1CC1 ZINC000914785455 1120986753 /nfs/dbraw/zinc/98/67/53/1120986753.db2.gz ZFNCTVLBDFGPTE-UHFFFAOYSA-N 1 2 336.530 3.940 20 0 EHADLO CO[C@H]1CCC[C@@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051178 1120998397 /nfs/dbraw/zinc/99/83/97/1120998397.db2.gz WPNLYNOYIHMJHS-PBHICJAKSA-N 1 2 338.411 3.670 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000451217929 1128955812 /nfs/dbraw/zinc/95/58/12/1128955812.db2.gz MYCHVHAJPROXKA-CEXWTWQISA-N 1 2 337.467 3.710 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000451217932 1128955970 /nfs/dbraw/zinc/95/59/70/1128955970.db2.gz MYCHVHAJPROXKA-QYZOEREBSA-N 1 2 337.467 3.710 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)cc1C ZINC000064758349 1128960417 /nfs/dbraw/zinc/96/04/17/1128960417.db2.gz UYHGJLIQHDZCMU-LJQANCHMSA-N 1 2 340.471 3.827 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000762058662 1121084321 /nfs/dbraw/zinc/08/43/21/1121084321.db2.gz APCMBBLJYCDWQA-INIZCTEOSA-N 1 2 333.863 3.619 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762139343 1121127363 /nfs/dbraw/zinc/12/73/63/1121127363.db2.gz PKQOFCKSJLFWPG-AWEZNQCLSA-N 1 2 344.484 3.634 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762139343 1121127366 /nfs/dbraw/zinc/12/73/66/1121127366.db2.gz PKQOFCKSJLFWPG-AWEZNQCLSA-N 1 2 344.484 3.634 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3ccccc3C2)CCN1c1ccccc1Cl ZINC000303432791 1121147437 /nfs/dbraw/zinc/14/74/37/1121147437.db2.gz CQOJHRBQDJYVEA-GOSISDBHSA-N 1 2 326.827 3.504 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3ccccc3C2)CCN1c1ccccc1Cl ZINC000303432791 1121147442 /nfs/dbraw/zinc/14/74/42/1121147442.db2.gz CQOJHRBQDJYVEA-GOSISDBHSA-N 1 2 326.827 3.504 20 0 EHADLO CC1(C)C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000915218611 1121259109 /nfs/dbraw/zinc/25/91/09/1121259109.db2.gz JDTLYTYDUQYQJB-UHFFFAOYSA-N 1 2 327.453 3.674 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000915218611 1121259114 /nfs/dbraw/zinc/25/91/14/1121259114.db2.gz JDTLYTYDUQYQJB-UHFFFAOYSA-N 1 2 327.453 3.674 20 0 EHADLO CC[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000915243561 1121273337 /nfs/dbraw/zinc/27/33/37/1121273337.db2.gz LTKSTWFMLIGXLR-SFHVURJKSA-N 1 2 338.455 3.819 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)no1 ZINC000053607129 1121323034 /nfs/dbraw/zinc/32/30/34/1121323034.db2.gz BSBRBTWSQFPKRJ-CQSZACIVSA-N 1 2 348.878 3.725 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000495680726 1121354309 /nfs/dbraw/zinc/35/43/09/1121354309.db2.gz WGSKXHVGXDYSDP-CYBMUJFWSA-N 1 2 349.456 3.504 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000495680726 1121354316 /nfs/dbraw/zinc/35/43/16/1121354316.db2.gz WGSKXHVGXDYSDP-CYBMUJFWSA-N 1 2 349.456 3.504 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053695968 1121405035 /nfs/dbraw/zinc/40/50/35/1121405035.db2.gz ZNPCQQBSZFICSN-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO COc1ccc(CC[C@@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000153611606 1121409646 /nfs/dbraw/zinc/40/96/46/1121409646.db2.gz HHXUREBDZSPISF-MRXNPFEDSA-N 1 2 328.456 3.557 20 0 EHADLO O[C@@H](C[N@@H+]1CCOCC12CCCC2)c1ccc(Cl)cc1Cl ZINC000762925922 1121525571 /nfs/dbraw/zinc/52/55/71/1121525571.db2.gz JEBYMRVCELQKHI-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO O[C@@H](C[N@H+]1CCOCC12CCCC2)c1ccc(Cl)cc1Cl ZINC000762925922 1121525577 /nfs/dbraw/zinc/52/55/77/1121525577.db2.gz JEBYMRVCELQKHI-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1N(C)C ZINC000915641772 1121572248 /nfs/dbraw/zinc/57/22/48/1121572248.db2.gz SSOLSFZJOXFLSY-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO CCc1cc(C[NH+]2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)on1 ZINC001203227419 1121598653 /nfs/dbraw/zinc/59/86/53/1121598653.db2.gz ZRZOTDCJKBXDNI-UHFFFAOYSA-N 1 2 340.423 3.545 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(F)=C3CCCC3)CC2)cc1 ZINC000763050899 1121667411 /nfs/dbraw/zinc/66/74/11/1121667411.db2.gz FMBMDGNEJGUOPZ-UHFFFAOYSA-N 1 2 345.462 3.635 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000763113101 1121696561 /nfs/dbraw/zinc/69/65/61/1121696561.db2.gz NHLQHINCWPIUMV-UHFFFAOYSA-N 1 2 332.831 3.982 20 0 EHADLO Cc1nc2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2nc1C ZINC000074893048 1121713559 /nfs/dbraw/zinc/71/35/59/1121713559.db2.gz KLUXXILPJJEMJN-UHFFFAOYSA-N 1 2 343.390 3.889 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c2ccccc2n1 ZINC000172814276 1129005761 /nfs/dbraw/zinc/00/57/61/1129005761.db2.gz WBFRFIBUNGXPMJ-GOSISDBHSA-N 1 2 346.478 3.817 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)C1 ZINC000054277420 1121747600 /nfs/dbraw/zinc/74/76/00/1121747600.db2.gz ULLXJKPCZNHPFS-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)C1 ZINC000054277420 1121747607 /nfs/dbraw/zinc/74/76/07/1121747607.db2.gz ULLXJKPCZNHPFS-ZDUSSCGKSA-N 1 2 347.459 3.695 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000054677956 1121773919 /nfs/dbraw/zinc/77/39/19/1121773919.db2.gz MNFNRKHTFZMIPT-UHFFFAOYSA-N 1 2 342.374 3.552 20 0 EHADLO Cc1ccc(C(=O)c2ccccc2C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000763287281 1121943828 /nfs/dbraw/zinc/94/38/28/1121943828.db2.gz LJKXNHFQKOVUMA-UHFFFAOYSA-N 1 2 348.402 3.670 20 0 EHADLO CCC1CCC(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444189093 1121966091 /nfs/dbraw/zinc/96/60/91/1121966091.db2.gz FFCPQRIRPSYVQH-OFLPRAFFSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=S)n1-c1ccccc1C ZINC000763333189 1121966516 /nfs/dbraw/zinc/96/65/16/1121966516.db2.gz PQIFFLPNZXAENY-MRXNPFEDSA-N 1 2 328.485 3.710 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=S)n1-c1ccccc1C ZINC000763333189 1121966520 /nfs/dbraw/zinc/96/65/20/1121966520.db2.gz PQIFFLPNZXAENY-MRXNPFEDSA-N 1 2 328.485 3.710 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444199082 1121974551 /nfs/dbraw/zinc/97/45/51/1121974551.db2.gz UUPVDGOVBZTHQV-ZACQAIPSSA-N 1 2 332.492 3.526 20 0 EHADLO COC1(C[C@@H](C)Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCC1 ZINC000496251004 1122036103 /nfs/dbraw/zinc/03/61/03/1122036103.db2.gz BRRIHCRUMSUIKC-CQSZACIVSA-N 1 2 349.475 3.866 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000496967266 1122215477 /nfs/dbraw/zinc/21/54/77/1122215477.db2.gz GUTHSINQHIVMQS-MRXNPFEDSA-N 1 2 347.459 3.575 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000496967266 1122215480 /nfs/dbraw/zinc/21/54/80/1122215480.db2.gz GUTHSINQHIVMQS-MRXNPFEDSA-N 1 2 347.459 3.575 20 0 EHADLO C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@H]1CC(C)(C)OC1=O ZINC000496966725 1122216052 /nfs/dbraw/zinc/21/60/52/1122216052.db2.gz ZWZNQXFEQRBNPL-HNNXBMFYSA-N 1 2 348.443 3.560 20 0 EHADLO C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@H]1CC(C)(C)OC1=O ZINC000496966725 1122216057 /nfs/dbraw/zinc/21/60/57/1122216057.db2.gz ZWZNQXFEQRBNPL-HNNXBMFYSA-N 1 2 348.443 3.560 20 0 EHADLO COCCOc1cc(NCc2ccc(F)c(Cl)c2F)cc[nH+]1 ZINC001168514874 1122280745 /nfs/dbraw/zinc/28/07/45/1122280745.db2.gz UCVISGJPYQZNNN-UHFFFAOYSA-N 1 2 328.746 3.651 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000497161001 1122351052 /nfs/dbraw/zinc/35/10/52/1122351052.db2.gz KQLLGJIQQYHMCM-INIZCTEOSA-N 1 2 349.272 3.854 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000497161001 1122351058 /nfs/dbraw/zinc/35/10/58/1122351058.db2.gz KQLLGJIQQYHMCM-INIZCTEOSA-N 1 2 349.272 3.854 20 0 EHADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](C/C(Cl)=C\Cl)CC2 ZINC000497227159 1122391818 /nfs/dbraw/zinc/39/18/18/1122391818.db2.gz KYGAFLMDVVTOAP-ZRDIBKRKSA-N 1 2 335.275 3.781 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000917039444 1122444316 /nfs/dbraw/zinc/44/43/16/1122444316.db2.gz DOBOIUNWGNNIMU-GFCCVEGCSA-N 1 2 329.469 3.572 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)sc1C ZINC000917039444 1122444321 /nfs/dbraw/zinc/44/43/21/1122444321.db2.gz DOBOIUNWGNNIMU-GFCCVEGCSA-N 1 2 329.469 3.572 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)sc1C ZINC000126997375 1122456105 /nfs/dbraw/zinc/45/61/05/1122456105.db2.gz GEUQUFNAKGKPBY-UHFFFAOYSA-N 1 2 329.400 3.620 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127125596 1122464037 /nfs/dbraw/zinc/46/40/37/1122464037.db2.gz PUQPMMWYOPMLKY-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127125596 1122464039 /nfs/dbraw/zinc/46/40/39/1122464039.db2.gz PUQPMMWYOPMLKY-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO COc1cc(F)ccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000127529484 1122490799 /nfs/dbraw/zinc/49/07/99/1122490799.db2.gz KGHIUNXWDKJXFH-RUDMXATFSA-N 1 2 337.354 3.672 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)n1 ZINC000128079676 1122528170 /nfs/dbraw/zinc/52/81/70/1122528170.db2.gz MEMCYJGJNDEORE-HXUWFJFHSA-N 1 2 343.434 3.783 20 0 EHADLO Cc1cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cn2c1 ZINC000670371789 1122585169 /nfs/dbraw/zinc/58/51/69/1122585169.db2.gz IJUJAEUOYJWNAC-UHFFFAOYSA-N 1 2 334.354 3.825 20 0 EHADLO CCC[N@H+](CC(=O)OC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000917417502 1122601591 /nfs/dbraw/zinc/60/15/91/1122601591.db2.gz IUQFHGDMINHYLU-UHFFFAOYSA-N 1 2 345.439 3.610 20 0 EHADLO CCC[N@@H+](CC(=O)OC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000917417502 1122601593 /nfs/dbraw/zinc/60/15/93/1122601593.db2.gz IUQFHGDMINHYLU-UHFFFAOYSA-N 1 2 345.439 3.610 20 0 EHADLO C[N@H+](CCCCc1ccccc1)Cn1sc2ccccc2c1=O ZINC000917477536 1122612699 /nfs/dbraw/zinc/61/26/99/1122612699.db2.gz VHKHYMSKXVAJMY-UHFFFAOYSA-N 1 2 326.465 3.975 20 0 EHADLO C[N@@H+](CCCCc1ccccc1)Cn1sc2ccccc2c1=O ZINC000917477536 1122612702 /nfs/dbraw/zinc/61/27/02/1122612702.db2.gz VHKHYMSKXVAJMY-UHFFFAOYSA-N 1 2 326.465 3.975 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128692134 1122648654 /nfs/dbraw/zinc/64/86/54/1122648654.db2.gz LNGCILBFYKEGFG-LJQANCHMSA-N 1 2 339.414 3.664 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128692134 1122648659 /nfs/dbraw/zinc/64/86/59/1122648659.db2.gz LNGCILBFYKEGFG-LJQANCHMSA-N 1 2 339.414 3.664 20 0 EHADLO COc1ccccc1Cc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923756866 1122666266 /nfs/dbraw/zinc/66/62/66/1122666266.db2.gz NLVFPGNMFXRSSA-HNNXBMFYSA-N 1 2 326.400 3.501 20 0 EHADLO CC(C)(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000497939992 1122709057 /nfs/dbraw/zinc/70/90/57/1122709057.db2.gz VNVJFSSPQBWKJY-QGZVFWFLSA-N 1 2 344.503 3.566 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000069085182 1122750877 /nfs/dbraw/zinc/75/08/77/1122750877.db2.gz BFSQFEPLNBYXMQ-HNNXBMFYSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000069085182 1122750879 /nfs/dbraw/zinc/75/08/79/1122750879.db2.gz BFSQFEPLNBYXMQ-HNNXBMFYSA-N 1 2 345.830 3.519 20 0 EHADLO CN(C)c1noc(C[NH2+]C2(c3ccc(C(C)(C)C)cc3)CCCC2)n1 ZINC000499608202 1129075892 /nfs/dbraw/zinc/07/58/92/1129075892.db2.gz UKVPXNYBICXBTP-UHFFFAOYSA-N 1 2 342.487 3.992 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000170705907 1122781761 /nfs/dbraw/zinc/78/17/61/1122781761.db2.gz MLUIPJHTXIELPO-UHFFFAOYSA-N 1 2 349.409 3.668 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 ZINC000444932227 1122886031 /nfs/dbraw/zinc/88/60/31/1122886031.db2.gz TVUBPPVYJBHQAO-MRXNPFEDSA-N 1 2 349.438 3.827 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)no1 ZINC000556241035 1122892119 /nfs/dbraw/zinc/89/21/19/1122892119.db2.gz MGPBCSQLGDGBQB-UZLBHIALSA-N 1 2 349.434 3.884 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000130726269 1122989841 /nfs/dbraw/zinc/98/98/41/1122989841.db2.gz VKFDRRLRPLJZEL-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000130726269 1122989843 /nfs/dbraw/zinc/98/98/43/1122989843.db2.gz VKFDRRLRPLJZEL-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccccc1 ZINC000130760630 1122994773 /nfs/dbraw/zinc/99/47/73/1122994773.db2.gz REHLMAPSRDIIFQ-ICSRJNTNSA-N 1 2 338.451 3.628 20 0 EHADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000130982687 1123027950 /nfs/dbraw/zinc/02/79/50/1123027950.db2.gz VFOTZIXPMFEDBY-KBPBESRZSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000130982687 1123027956 /nfs/dbraw/zinc/02/79/56/1123027956.db2.gz VFOTZIXPMFEDBY-KBPBESRZSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000445163358 1123050258 /nfs/dbraw/zinc/05/02/58/1123050258.db2.gz USKFZQHKSBHOKG-OAHLLOKOSA-N 1 2 337.427 3.621 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000556752117 1123105139 /nfs/dbraw/zinc/10/51/39/1123105139.db2.gz IURZBMNIHGYQQI-DDUZABMNSA-N 1 2 344.434 3.684 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3c1c(F)ccc3F)C2 ZINC000498947958 1123127618 /nfs/dbraw/zinc/12/76/18/1123127618.db2.gz AJSBGMANOPHJEQ-NSHDSACASA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3c1c(F)ccc3F)CC2 ZINC000498947958 1123127622 /nfs/dbraw/zinc/12/76/22/1123127622.db2.gz AJSBGMANOPHJEQ-NSHDSACASA-N 1 2 345.393 3.506 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000072630314 1123133490 /nfs/dbraw/zinc/13/34/90/1123133490.db2.gz NLWBYEKMUZYJAB-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000072630314 1123133493 /nfs/dbraw/zinc/13/34/93/1123133493.db2.gz NLWBYEKMUZYJAB-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672888542 1129101277 /nfs/dbraw/zinc/10/12/77/1129101277.db2.gz OADALMMGFJMEIO-CQSZACIVSA-N 1 2 330.391 3.700 20 0 EHADLO Cc1cccc(-c2noc(COc3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000072674456 1123140752 /nfs/dbraw/zinc/14/07/52/1123140752.db2.gz NSRULIRKOYCOCL-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000072773347 1123155979 /nfs/dbraw/zinc/15/59/79/1123155979.db2.gz WSIYYQRHGRNTOR-RDTXWAMCSA-N 1 2 342.414 3.856 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000072773347 1123155981 /nfs/dbraw/zinc/15/59/81/1123155981.db2.gz WSIYYQRHGRNTOR-RDTXWAMCSA-N 1 2 342.414 3.856 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1F ZINC000556866885 1123158574 /nfs/dbraw/zinc/15/85/74/1123158574.db2.gz PEZIPKDVQLHTGI-UHFFFAOYSA-N 1 2 335.423 3.621 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466021708 1129106763 /nfs/dbraw/zinc/10/67/63/1129106763.db2.gz LGIBSJHMUFGLHX-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000919948663 1123235961 /nfs/dbraw/zinc/23/59/61/1123235961.db2.gz WPVJACBFPJXTHY-QGZVFWFLSA-N 1 2 331.485 3.526 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000919948663 1123235962 /nfs/dbraw/zinc/23/59/62/1123235962.db2.gz WPVJACBFPJXTHY-QGZVFWFLSA-N 1 2 331.485 3.526 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132521223 1123242500 /nfs/dbraw/zinc/24/25/00/1123242500.db2.gz DERYXWVJDVVUQK-HNNXBMFYSA-N 1 2 325.456 3.665 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132521223 1123242503 /nfs/dbraw/zinc/24/25/03/1123242503.db2.gz DERYXWVJDVVUQK-HNNXBMFYSA-N 1 2 325.456 3.665 20 0 EHADLO O=C(CCc1ccc(Br)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000557019067 1123267151 /nfs/dbraw/zinc/26/71/51/1123267151.db2.gz LLIAQEDFLRXVOE-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000920059708 1123272691 /nfs/dbraw/zinc/27/26/91/1123272691.db2.gz NZHFTUKQIRVWLN-IAGOWNOFSA-N 1 2 334.508 3.815 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236655 1123290455 /nfs/dbraw/zinc/29/04/55/1123290455.db2.gz KJYWPNGMMCQRDN-GDBMZVCRSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236655 1123290459 /nfs/dbraw/zinc/29/04/59/1123290459.db2.gz KJYWPNGMMCQRDN-GDBMZVCRSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875581 1123434503 /nfs/dbraw/zinc/43/45/03/1123434503.db2.gz PWYKBHYRXRONPY-YCPHGPKFSA-N 1 2 344.484 3.517 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000921142504 1123476469 /nfs/dbraw/zinc/47/64/69/1123476469.db2.gz AWMLWKGQVIFSOY-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201328 1123478300 /nfs/dbraw/zinc/47/83/00/1123478300.db2.gz JIUYOKBEJFCQJF-INIZCTEOSA-N 1 2 328.460 3.886 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2cc(Cl)cn2)CC1 ZINC000921185426 1123479962 /nfs/dbraw/zinc/47/99/62/1123479962.db2.gz MMZHJURYFFSKNH-CYBMUJFWSA-N 1 2 339.270 3.526 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076390735 1123491597 /nfs/dbraw/zinc/49/15/97/1123491597.db2.gz DWTCWILBHDCCBM-ZWKOTPCHSA-N 1 2 337.810 3.812 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1 ZINC000076727161 1123516285 /nfs/dbraw/zinc/51/62/85/1123516285.db2.gz JVVRVGAKDBZXJO-CYBMUJFWSA-N 1 2 333.407 3.865 20 0 EHADLO Cc1cc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)on1 ZINC000134381411 1123519991 /nfs/dbraw/zinc/51/99/91/1123519991.db2.gz CAGLIUOZRIBNBB-ZDUSSCGKSA-N 1 2 325.181 3.662 20 0 EHADLO CCc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)oc1CC ZINC000134913154 1123564655 /nfs/dbraw/zinc/56/46/55/1123564655.db2.gz VFIIMAAFAYGLDL-UHFFFAOYSA-N 1 2 337.423 3.579 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)o1 ZINC000078621933 1123642757 /nfs/dbraw/zinc/64/27/57/1123642757.db2.gz YJCZZIYJZHMCRA-LLVKDONJSA-N 1 2 347.415 3.796 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)o1 ZINC000078621933 1123642761 /nfs/dbraw/zinc/64/27/61/1123642761.db2.gz YJCZZIYJZHMCRA-LLVKDONJSA-N 1 2 347.415 3.796 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000079210932 1123679136 /nfs/dbraw/zinc/67/91/36/1123679136.db2.gz NSXXAYHOSDBGAX-UHFFFAOYSA-N 1 2 342.487 3.899 20 0 EHADLO CC(C)[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000079454925 1123696051 /nfs/dbraw/zinc/69/60/51/1123696051.db2.gz LVLGSJZRFJNEOR-NRFANRHFSA-N 1 2 347.462 3.987 20 0 EHADLO O=C(CC1CCSCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000136861175 1123733555 /nfs/dbraw/zinc/73/35/55/1123733555.db2.gz QOGDOPISKINPRA-UHFFFAOYSA-N 1 2 347.528 3.612 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1c(C)noc1CC ZINC000929210556 1123790484 /nfs/dbraw/zinc/79/04/84/1123790484.db2.gz AHXNQJURPBURDE-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1c(C)noc1CC ZINC000929210556 1123790490 /nfs/dbraw/zinc/79/04/90/1123790490.db2.gz AHXNQJURPBURDE-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CC1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCC1 ZINC000543047067 1129157901 /nfs/dbraw/zinc/15/79/01/1129157901.db2.gz ZJXDIWIGMBQULL-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616270290 1123977467 /nfs/dbraw/zinc/97/74/67/1123977467.db2.gz CLEPCRYLBHJLGH-XLNGHYISSA-N 1 2 343.858 3.630 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616329368 1123983520 /nfs/dbraw/zinc/98/35/20/1123983520.db2.gz WUAFAUBEZUYRKA-RBUKOAKNSA-N 1 2 325.456 3.538 20 0 EHADLO CN1CCCc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000068610248 1123989812 /nfs/dbraw/zinc/98/98/12/1123989812.db2.gz GLGKXEPJLUKVJR-UHFFFAOYSA-N 1 2 346.434 3.566 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC[C@H]2C=CCC2)CC1 ZINC001687440318 1124055867 /nfs/dbraw/zinc/05/58/67/1124055867.db2.gz XGMLMGOEEGWIBJ-LPHOPBHVSA-N 1 2 345.462 3.570 20 0 EHADLO Cc1c(F)c(Br)ccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000617478674 1124599623 /nfs/dbraw/zinc/59/96/23/1124599623.db2.gz POUOAAQXBGOGGH-SECBINFHSA-N 1 2 340.196 3.683 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248183707 1124645100 /nfs/dbraw/zinc/64/51/00/1124645100.db2.gz WXPABAAZZXNWRA-SKDRFNHKSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248183707 1124645103 /nfs/dbraw/zinc/64/51/03/1124645103.db2.gz WXPABAAZZXNWRA-SKDRFNHKSA-N 1 2 338.167 3.509 20 0 EHADLO CCCCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763489876 1124671069 /nfs/dbraw/zinc/67/10/69/1124671069.db2.gz JCKQQNBXUSPFCD-UZUQRXQVSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1cccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763489876 1124671074 /nfs/dbraw/zinc/67/10/74/1124671074.db2.gz JCKQQNBXUSPFCD-UZUQRXQVSA-N 1 2 337.529 3.989 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000248590837 1124677969 /nfs/dbraw/zinc/67/79/69/1124677969.db2.gz RSNCXKZRZYHWPM-YESZJQIVSA-N 1 2 332.488 3.583 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000734850446 1131287061 /nfs/dbraw/zinc/28/70/61/1131287061.db2.gz KRFSHFCRZPMONW-AWEZNQCLSA-N 1 2 343.395 3.567 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212326 1124967895 /nfs/dbraw/zinc/96/78/95/1124967895.db2.gz KNMWOFSDDCUYKO-UHFFFAOYSA-N 1 2 333.435 3.757 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c(C)c[nH+]1 ZINC001127646117 1125014458 /nfs/dbraw/zinc/01/44/58/1125014458.db2.gz KJKZOBJVDDAYLQ-INIZCTEOSA-N 1 2 326.440 3.958 20 0 EHADLO CC[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccc(C)c(F)c1 ZINC001127660723 1125069492 /nfs/dbraw/zinc/06/94/92/1125069492.db2.gz POGYIYAGQJRKGU-KRWDZBQOSA-N 1 2 325.387 3.971 20 0 EHADLO Cc1ccc(C)c(OCCCn2c3ccccc3[nH+]c2NCCO)c1 ZINC000253480398 1125166074 /nfs/dbraw/zinc/16/60/74/1125166074.db2.gz WNYQZCDHIBCQAS-UHFFFAOYSA-N 1 2 339.439 3.526 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H](CCF)C1 ZINC000618697220 1125168269 /nfs/dbraw/zinc/16/82/69/1125168269.db2.gz ATFYCRSPKBHUOP-RDJZCZTQSA-N 1 2 329.419 3.530 20 0 EHADLO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1Cl ZINC000572548372 1125212010 /nfs/dbraw/zinc/21/20/10/1125212010.db2.gz NBLZZKMRRFJIRS-UHFFFAOYSA-N 1 2 344.636 3.820 20 0 EHADLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1Cl ZINC000572548372 1125212013 /nfs/dbraw/zinc/21/20/13/1125212013.db2.gz NBLZZKMRRFJIRS-UHFFFAOYSA-N 1 2 344.636 3.820 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cnc(-c3ccccn3)s2)CCCCC1 ZINC000093359839 1125235682 /nfs/dbraw/zinc/23/56/82/1125235682.db2.gz UTEOLNGIHIACIM-UHFFFAOYSA-N 1 2 345.468 3.513 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cnc(-c3ccccn3)s2)CCCCC1 ZINC000093359839 1125235688 /nfs/dbraw/zinc/23/56/88/1125235688.db2.gz UTEOLNGIHIACIM-UHFFFAOYSA-N 1 2 345.468 3.513 20 0 EHADLO Cl/C=C(/Cl)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000763522486 1125259838 /nfs/dbraw/zinc/25/98/38/1125259838.db2.gz ZBIPIESNTGLTSQ-GXDHUFHOSA-N 1 2 337.254 3.970 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccc(F)c(C)c4)C3)n2c1 ZINC000093637841 1125278913 /nfs/dbraw/zinc/27/89/13/1125278913.db2.gz HQIVZNVRIPZWMY-LJQANCHMSA-N 1 2 339.414 3.664 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1OC ZINC000093637561 1125279119 /nfs/dbraw/zinc/27/91/19/1125279119.db2.gz GLNCNSKTQGFVJY-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1OC ZINC000093637561 1125279124 /nfs/dbraw/zinc/27/91/24/1125279124.db2.gz GLNCNSKTQGFVJY-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO OC[C@]1([N@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)CCOC1 ZINC000670987033 1125301924 /nfs/dbraw/zinc/30/19/24/1125301924.db2.gz LCOMPZAIYQQTJZ-LJQANCHMSA-N 1 2 349.833 3.633 20 0 EHADLO OC[C@]1([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)CCOC1 ZINC000670987033 1125301928 /nfs/dbraw/zinc/30/19/28/1125301928.db2.gz LCOMPZAIYQQTJZ-LJQANCHMSA-N 1 2 349.833 3.633 20 0 EHADLO Cc1c([C@@H](C)Nc2ccc([NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000182490650 1125318618 /nfs/dbraw/zinc/31/86/18/1125318618.db2.gz HDVSKLSKBAVFOP-CYBMUJFWSA-N 1 2 339.418 3.954 20 0 EHADLO C[C@H]1CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)O1 ZINC000094071578 1125330616 /nfs/dbraw/zinc/33/06/16/1125330616.db2.gz LAJWYGWXPXVDBL-RYUDHWBXSA-N 1 2 333.819 3.668 20 0 EHADLO C[C@](CO)([NH2+]C/C(Cl)=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000763562665 1125332454 /nfs/dbraw/zinc/33/24/54/1125332454.db2.gz OCEOBJBSAYCBOW-IGEMTJHASA-N 1 2 328.161 3.822 20 0 EHADLO C[N@H+](C/C(Cl)=C\Cl)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000763567036 1125337300 /nfs/dbraw/zinc/33/73/00/1125337300.db2.gz QURJQHQCWXYBLJ-YRNVUSSQSA-N 1 2 325.280 3.788 20 0 EHADLO C[N@@H+](C/C(Cl)=C\Cl)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000763567036 1125337302 /nfs/dbraw/zinc/33/73/02/1125337302.db2.gz QURJQHQCWXYBLJ-YRNVUSSQSA-N 1 2 325.280 3.788 20 0 EHADLO C[C@@H](c1ccccn1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254973414 1125357136 /nfs/dbraw/zinc/35/71/36/1125357136.db2.gz ZFIHHUPMMZQCRX-CLOOOTJHSA-N 1 2 332.407 3.500 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3ncn(C4CC4)c3=S)C2)c1 ZINC000182795852 1125371251 /nfs/dbraw/zinc/37/12/51/1125371251.db2.gz ATKPIJOWAKKRRQ-HNNXBMFYSA-N 1 2 328.485 3.813 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)c1 ZINC000182795852 1125371252 /nfs/dbraw/zinc/37/12/52/1125371252.db2.gz ATKPIJOWAKKRRQ-HNNXBMFYSA-N 1 2 328.485 3.813 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(F)ccc2o1 ZINC000735468563 1131351006 /nfs/dbraw/zinc/35/10/06/1131351006.db2.gz MQBQXEUGIUBIRX-INIZCTEOSA-N 1 2 329.375 3.613 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619946889 1125432313 /nfs/dbraw/zinc/43/23/13/1125432313.db2.gz PQYRRBUHNWKQBD-FUHWJXTLSA-N 1 2 344.503 3.697 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953113 1125443998 /nfs/dbraw/zinc/44/39/98/1125443998.db2.gz OGHRAXNDRZAALU-JKIFEVAISA-N 1 2 338.879 3.721 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953113 1125443999 /nfs/dbraw/zinc/44/39/99/1125443999.db2.gz OGHRAXNDRZAALU-JKIFEVAISA-N 1 2 338.879 3.721 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000066847482 1129216569 /nfs/dbraw/zinc/21/65/69/1129216569.db2.gz BJOUNPFRRIRYAF-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000066847482 1129216571 /nfs/dbraw/zinc/21/65/71/1129216571.db2.gz BJOUNPFRRIRYAF-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nc3ccsc3s2)c1C ZINC000735576926 1131359154 /nfs/dbraw/zinc/35/91/54/1131359154.db2.gz MXBGRHOMICXRAO-UHFFFAOYSA-N 1 2 348.453 3.700 20 0 EHADLO Cn1c[nH+]cc1CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000357301261 1129232275 /nfs/dbraw/zinc/23/22/75/1129232275.db2.gz QWFGBXWFDFIKIB-HXUWFJFHSA-N 1 2 344.418 3.615 20 0 EHADLO Cc1ccc(C)c(Oc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cn2)c1 ZINC000657311855 1129256342 /nfs/dbraw/zinc/25/63/42/1129256342.db2.gz XIEPISFAGZAJAN-UHFFFAOYSA-N 1 2 348.450 3.923 20 0 EHADLO CCSCc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068252246 1129356034 /nfs/dbraw/zinc/35/60/34/1129356034.db2.gz XWURYDVTYSCKTE-UHFFFAOYSA-N 1 2 340.492 3.685 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548580 1129363360 /nfs/dbraw/zinc/36/33/60/1129363360.db2.gz BUZVUBIVYFEANG-WBVHZDCISA-N 1 2 328.460 3.534 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCc3ccc(O)cc32)sc1Br ZINC000922248308 1129397948 /nfs/dbraw/zinc/39/79/48/1129397948.db2.gz IUFMFIBOTHPNGS-LBPRGKRZSA-N 1 2 339.258 3.697 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000735671209 1131372086 /nfs/dbraw/zinc/37/20/86/1131372086.db2.gz CAKZYAZHZZVTNZ-QGZVFWFLSA-N 1 2 331.481 3.685 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000735671209 1131372089 /nfs/dbraw/zinc/37/20/89/1131372089.db2.gz CAKZYAZHZZVTNZ-QGZVFWFLSA-N 1 2 331.481 3.685 20 0 EHADLO CC1(C)CCC(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000157997150 1129419741 /nfs/dbraw/zinc/41/97/41/1129419741.db2.gz GLORGLSOIXGCON-UHFFFAOYSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(O)ccc3C(F)(F)F)ccc2[nH+]1 ZINC000338841879 1129442983 /nfs/dbraw/zinc/44/29/83/1129442983.db2.gz SOHJGOVJLBDWJR-UHFFFAOYSA-N 1 2 335.285 3.619 20 0 EHADLO C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000543479546 1129517288 /nfs/dbraw/zinc/51/72/88/1129517288.db2.gz AGSJNPFJDDKTQW-INIZCTEOSA-N 1 2 332.488 3.920 20 0 EHADLO CC(C)(C(=O)OCc1ccc[nH+]c1N)c1cccc(C(F)(F)F)c1 ZINC000922409133 1129523055 /nfs/dbraw/zinc/52/30/55/1129523055.db2.gz JHAKBDGRTFCTRK-UHFFFAOYSA-N 1 2 338.329 3.704 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(C(F)F)CCCC1 ZINC000673553056 1129532995 /nfs/dbraw/zinc/53/29/95/1129532995.db2.gz OEPVCMAUZJQHOB-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000275654849 1129555920 /nfs/dbraw/zinc/55/59/20/1129555920.db2.gz CRCASRYLLCGYBV-RTBURBONSA-N 1 2 345.483 3.632 20 0 EHADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000922522011 1129561650 /nfs/dbraw/zinc/56/16/50/1129561650.db2.gz PPZRZJKBTYGKPH-UZLBHIALSA-N 1 2 343.398 3.799 20 0 EHADLO Fc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1Br ZINC000922581871 1129581595 /nfs/dbraw/zinc/58/15/95/1129581595.db2.gz WTLCWIQRUAHAPV-AWEZNQCLSA-N 1 2 336.208 3.619 20 0 EHADLO Nc1ccc(COC(=O)CC2(CSc3ccccc3)CC2)c[nH+]1 ZINC000922616970 1129597157 /nfs/dbraw/zinc/59/71/57/1129597157.db2.gz BOKKYTIONJBZLT-UHFFFAOYSA-N 1 2 328.437 3.670 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000735873001 1131384730 /nfs/dbraw/zinc/38/47/30/1131384730.db2.gz CXKISUWHVAJSHO-IBGZPJMESA-N 1 2 348.450 3.739 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000735873001 1131384735 /nfs/dbraw/zinc/38/47/35/1131384735.db2.gz CXKISUWHVAJSHO-IBGZPJMESA-N 1 2 348.450 3.739 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000428927849 1129611666 /nfs/dbraw/zinc/61/16/66/1129611666.db2.gz XCMHUPGNEKSSJC-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc(F)cc2C)cs1 ZINC000922670519 1129620637 /nfs/dbraw/zinc/62/06/37/1129620637.db2.gz JGLXIJVRNHWNPP-LBPRGKRZSA-N 1 2 335.448 3.814 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccc(F)cc2C)cs1)C1CC1 ZINC000922665260 1129621472 /nfs/dbraw/zinc/62/14/72/1129621472.db2.gz KGPZHYKXLLLLOO-GFCCVEGCSA-N 1 2 347.459 3.957 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC000624972008 1129653924 /nfs/dbraw/zinc/65/39/24/1129653924.db2.gz DCIWPODBSOJKKR-UHFFFAOYSA-N 1 2 333.435 3.989 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760469 1129695942 /nfs/dbraw/zinc/69/59/42/1129695942.db2.gz UDYWJYADOWQEOZ-INIZCTEOSA-N 1 2 329.362 3.838 20 0 EHADLO CCC(=O)CCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760469 1129695945 /nfs/dbraw/zinc/69/59/45/1129695945.db2.gz UDYWJYADOWQEOZ-INIZCTEOSA-N 1 2 329.362 3.838 20 0 EHADLO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000390655426 1129707221 /nfs/dbraw/zinc/70/72/21/1129707221.db2.gz OQNIWSSBKLGJFK-RDDDGLTNSA-N 1 2 349.066 3.805 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000429073587 1129744191 /nfs/dbraw/zinc/74/41/91/1129744191.db2.gz GSMSYPQWIASXMT-YJBOKZPZSA-N 1 2 345.487 3.780 20 0 EHADLO Clc1c[nH+]ccc1N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000347779242 1129750715 /nfs/dbraw/zinc/75/07/15/1129750715.db2.gz HFEFPYWOTODCON-OAHLLOKOSA-N 1 2 325.803 3.862 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@H+](Cc3noc(C4CCC4)n3)C2)cc1 ZINC000625186649 1129758788 /nfs/dbraw/zinc/75/87/88/1129758788.db2.gz CSMFCXWIOWGNFG-MRXNPFEDSA-N 1 2 341.455 3.800 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@@H+](Cc3noc(C4CCC4)n3)C2)cc1 ZINC000625186649 1129758791 /nfs/dbraw/zinc/75/87/91/1129758791.db2.gz CSMFCXWIOWGNFG-MRXNPFEDSA-N 1 2 341.455 3.800 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128519876 1129764776 /nfs/dbraw/zinc/76/47/76/1129764776.db2.gz YOGCJTNHYRJAQK-AZUAARDMSA-N 1 2 338.451 3.639 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625239838 1129776698 /nfs/dbraw/zinc/77/66/98/1129776698.db2.gz DGHNVDKHABKMCB-QGZVFWFLSA-N 1 2 335.407 3.929 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccncc1Br ZINC000625296935 1129809948 /nfs/dbraw/zinc/80/99/48/1129809948.db2.gz FQUZFVUYEXUXFM-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4cc(F)ccc4o3)[nH+]c12 ZINC000673723769 1129811605 /nfs/dbraw/zinc/81/16/05/1129811605.db2.gz FYUCWZKAGHUSPI-UHFFFAOYSA-N 1 2 337.354 3.501 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H](c3ccccc3)C(C)C)[nH+]c12 ZINC000673725214 1129812485 /nfs/dbraw/zinc/81/24/85/1129812485.db2.gz SSEXHBGWNZQABD-LJQANCHMSA-N 1 2 335.451 3.741 20 0 EHADLO COc1ccccc1[C@H]([NH2+]Cc1cnc2n[nH]c(C)c2c1)c1ccco1 ZINC000347801141 1129818193 /nfs/dbraw/zinc/81/81/93/1129818193.db2.gz UREZPPBZLBSVBP-IBGZPJMESA-N 1 2 348.406 3.747 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000673771042 1129836983 /nfs/dbraw/zinc/83/69/83/1129836983.db2.gz DTBKXSPVURDMEV-CVEARBPZSA-N 1 2 329.488 3.611 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000625473458 1129895564 /nfs/dbraw/zinc/89/55/64/1129895564.db2.gz VNCSXLJUJMWKFB-UHFFFAOYSA-N 1 2 342.283 3.644 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2cccc(F)c2)n1 ZINC000162837870 1129907891 /nfs/dbraw/zinc/90/78/91/1129907891.db2.gz KRBLQFAJOKPNSZ-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO c1cc2n(n1)CCC[C@@H]2Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000657955061 1129918321 /nfs/dbraw/zinc/91/83/21/1129918321.db2.gz WHTQKHLHDDVNKO-SFHVURJKSA-N 1 2 331.423 3.745 20 0 EHADLO Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282480271 1129928452 /nfs/dbraw/zinc/92/84/52/1129928452.db2.gz XMCMNWCZJDQLIB-HNNXBMFYSA-N 1 2 343.496 3.538 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429185154 1129937048 /nfs/dbraw/zinc/93/70/48/1129937048.db2.gz VBZUWNZEQMONFC-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429185154 1129937051 /nfs/dbraw/zinc/93/70/51/1129937051.db2.gz VBZUWNZEQMONFC-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429200308 1129963110 /nfs/dbraw/zinc/96/31/10/1129963110.db2.gz BIQQGYHZJVLRBP-CQSZACIVSA-N 1 2 343.858 3.942 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625646904 1129964958 /nfs/dbraw/zinc/96/49/58/1129964958.db2.gz CNXGQWIEPZJZHX-MGPQQGTHSA-N 1 2 335.398 3.945 20 0 EHADLO CC(C)C[N@H+](Cc1ncnn1CCF)Cc1ccc(F)c(Cl)c1 ZINC000625719889 1129993403 /nfs/dbraw/zinc/99/34/03/1129993403.db2.gz ISKGSJABSVOKCZ-UHFFFAOYSA-N 1 2 342.821 3.698 20 0 EHADLO CC(C)C[N@@H+](Cc1ncnn1CCF)Cc1ccc(F)c(Cl)c1 ZINC000625719889 1129993405 /nfs/dbraw/zinc/99/34/05/1129993405.db2.gz ISKGSJABSVOKCZ-UHFFFAOYSA-N 1 2 342.821 3.698 20 0 EHADLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)Nc1cccc(F)c1 ZINC000429219709 1129993445 /nfs/dbraw/zinc/99/34/45/1129993445.db2.gz IEZWWHYYCOQMBA-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc4cnccc4o3)n2)c1 ZINC000657995236 1129994221 /nfs/dbraw/zinc/99/42/21/1129994221.db2.gz LHMONPXXEXIGNX-CHWSQXEVSA-N 1 2 348.410 3.728 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc(Cl)c1 ZINC000674255284 1130034528 /nfs/dbraw/zinc/03/45/28/1130034528.db2.gz HJZGHEQJGFJBEG-INIZCTEOSA-N 1 2 333.794 3.604 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCSC3(CCCCC3)C2)nc2ccccc21 ZINC000674306810 1130057837 /nfs/dbraw/zinc/05/78/37/1130057837.db2.gz OOEJKDSYRJMHLF-UHFFFAOYSA-N 1 2 329.469 3.587 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCSC3(CCCCC3)C2)nc2ccccc21 ZINC000674306810 1130057841 /nfs/dbraw/zinc/05/78/41/1130057841.db2.gz OOEJKDSYRJMHLF-UHFFFAOYSA-N 1 2 329.469 3.587 20 0 EHADLO O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172040988 1130101400 /nfs/dbraw/zinc/10/14/00/1130101400.db2.gz DYWFIUTXNMSVRV-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC(Cc2ccccc2Cl)C1 ZINC000674569465 1130135211 /nfs/dbraw/zinc/13/52/11/1130135211.db2.gz ZJRGIMCTWRMIOA-UHFFFAOYSA-N 1 2 340.814 3.694 20 0 EHADLO C[N@H+](CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)Cc1cn[nH]c1 ZINC000674753118 1130187671 /nfs/dbraw/zinc/18/76/71/1130187671.db2.gz TVFBRYDZINTCEE-UHFFFAOYSA-N 1 2 344.418 3.873 20 0 EHADLO C[N@@H+](CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)Cc1cn[nH]c1 ZINC000674753118 1130187674 /nfs/dbraw/zinc/18/76/74/1130187674.db2.gz TVFBRYDZINTCEE-UHFFFAOYSA-N 1 2 344.418 3.873 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212520876 1130202980 /nfs/dbraw/zinc/20/29/80/1130202980.db2.gz XAOJNOANNQAUDT-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO O=C(Nc1ncc(Cl)s1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000674928750 1130226115 /nfs/dbraw/zinc/22/61/15/1130226115.db2.gz FOVHOVPALVLVNK-ZDUSSCGKSA-N 1 2 335.860 3.790 20 0 EHADLO O=C(Nc1ncc(Cl)s1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000674928750 1130226121 /nfs/dbraw/zinc/22/61/21/1130226121.db2.gz FOVHOVPALVLVNK-ZDUSSCGKSA-N 1 2 335.860 3.790 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@H]3CC(C)C)[nH+]c12 ZINC000675107673 1130255380 /nfs/dbraw/zinc/25/53/80/1130255380.db2.gz YWVIFZXFODJSQO-SFHVURJKSA-N 1 2 342.487 3.795 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675257975 1130298761 /nfs/dbraw/zinc/29/87/61/1130298761.db2.gz OWSIFESRZWUFHS-BEFAXECRSA-N 1 2 349.434 3.768 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2cocn2)c1 ZINC000675342973 1130313295 /nfs/dbraw/zinc/31/32/95/1130313295.db2.gz GPOLFEIRUGNOCJ-UHFFFAOYSA-N 1 2 340.427 3.592 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3CCC(C)C)[nH+]c12 ZINC000676048644 1130523678 /nfs/dbraw/zinc/52/36/78/1130523678.db2.gz OISGANRCVKKTSU-SFHVURJKSA-N 1 2 342.487 3.795 20 0 EHADLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000676066223 1130524953 /nfs/dbraw/zinc/52/49/53/1130524953.db2.gz UDVRAUUDQIAXSR-LBPRGKRZSA-N 1 2 340.254 3.842 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000676111334 1130531990 /nfs/dbraw/zinc/53/19/90/1130531990.db2.gz MZBFNPGPGRLJKB-UHFFFAOYSA-N 1 2 335.451 3.863 20 0 EHADLO C[C@H](c1cccc(NCc2[nH]nc3ccccc32)c1)[NH+]1CCOCC1 ZINC000676323521 1130561748 /nfs/dbraw/zinc/56/17/48/1130561748.db2.gz VJMINBGLSSTXLE-OAHLLOKOSA-N 1 2 336.439 3.568 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728046233 1130620657 /nfs/dbraw/zinc/62/06/57/1130620657.db2.gz VBKSOXLTRREPGD-AWEZNQCLSA-N 1 2 330.497 3.823 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728046233 1130620662 /nfs/dbraw/zinc/62/06/62/1130620662.db2.gz VBKSOXLTRREPGD-AWEZNQCLSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000728043456 1130621429 /nfs/dbraw/zinc/62/14/29/1130621429.db2.gz GBTHFDPXSWLWSE-GDBMZVCRSA-N 1 2 328.481 3.829 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000728043456 1130621431 /nfs/dbraw/zinc/62/14/31/1130621431.db2.gz GBTHFDPXSWLWSE-GDBMZVCRSA-N 1 2 328.481 3.829 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@@H]2CCCS2)no1 ZINC000288967298 1130633675 /nfs/dbraw/zinc/63/36/75/1130633675.db2.gz HNDBJKYKJYEMIV-ZDUSSCGKSA-N 1 2 336.367 3.622 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000731029007 1130759756 /nfs/dbraw/zinc/75/97/56/1130759756.db2.gz MRNQXNREFXJFDS-UHFFFAOYSA-N 1 2 344.358 3.930 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)CC1 ZINC000731103592 1130769549 /nfs/dbraw/zinc/76/95/49/1130769549.db2.gz CQDCGKCIZOFGGX-UHFFFAOYSA-N 1 2 335.492 3.927 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000731206103 1130778288 /nfs/dbraw/zinc/77/82/88/1130778288.db2.gz GPZSKFYZZHZNDQ-HNNXBMFYSA-N 1 2 348.541 3.652 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000731206103 1130778292 /nfs/dbraw/zinc/77/82/92/1130778292.db2.gz GPZSKFYZZHZNDQ-HNNXBMFYSA-N 1 2 348.541 3.652 20 0 EHADLO Cn1c2ccccc2n(C[N@H+](C)CCc2ccccc2F)c1=S ZINC000731661043 1130825573 /nfs/dbraw/zinc/82/55/73/1130825573.db2.gz ARGFIWOSWTXJAG-UHFFFAOYSA-N 1 2 329.444 3.980 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+](C)CCc2ccccc2F)c1=S ZINC000731661043 1130825579 /nfs/dbraw/zinc/82/55/79/1130825579.db2.gz ARGFIWOSWTXJAG-UHFFFAOYSA-N 1 2 329.444 3.980 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(-c2ccccc2F)no1)c1ccccc1 ZINC000732830119 1130961830 /nfs/dbraw/zinc/96/18/30/1130961830.db2.gz LBPPIQLBRBQHKY-GOSISDBHSA-N 1 2 339.370 3.722 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)o1 ZINC000733309946 1131021292 /nfs/dbraw/zinc/02/12/92/1131021292.db2.gz CFHDTGNWAAPWLQ-UHFFFAOYSA-N 1 2 337.464 3.629 20 0 EHADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000733983772 1131178911 /nfs/dbraw/zinc/17/89/11/1131178911.db2.gz QNSYEGGQLZULMC-MRXNPFEDSA-N 1 2 348.450 3.608 20 0 EHADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccccc2)sc1=S ZINC000738076712 1131460437 /nfs/dbraw/zinc/46/04/37/1131460437.db2.gz NXDPCASRJPDTLB-ZDUSSCGKSA-N 1 2 335.498 3.657 20 0 EHADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccccc2)sc1=S ZINC000738076712 1131460439 /nfs/dbraw/zinc/46/04/39/1131460439.db2.gz NXDPCASRJPDTLB-ZDUSSCGKSA-N 1 2 335.498 3.657 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000738286225 1131465258 /nfs/dbraw/zinc/46/52/58/1131465258.db2.gz RHKFIGMZYFXZJH-AWEZNQCLSA-N 1 2 340.448 3.519 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000738286225 1131465262 /nfs/dbraw/zinc/46/52/62/1131465262.db2.gz RHKFIGMZYFXZJH-AWEZNQCLSA-N 1 2 340.448 3.519 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1OC ZINC000738920894 1131491347 /nfs/dbraw/zinc/49/13/47/1131491347.db2.gz WMZRMEAYHMLWSC-MRXNPFEDSA-N 1 2 338.411 3.924 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)c1nccs1 ZINC000740014908 1131519805 /nfs/dbraw/zinc/51/98/05/1131519805.db2.gz ZLJFEENZPFKORQ-MRXNPFEDSA-N 1 2 349.891 3.802 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000740853493 1131548308 /nfs/dbraw/zinc/54/83/08/1131548308.db2.gz BFROLXAMZVWDOY-CRAIPNDOSA-N 1 2 334.485 3.654 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000740853493 1131548311 /nfs/dbraw/zinc/54/83/11/1131548311.db2.gz BFROLXAMZVWDOY-CRAIPNDOSA-N 1 2 334.485 3.654 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+](Cc2cccs2)C(C)C)C1=O ZINC000740854287 1131548542 /nfs/dbraw/zinc/54/85/42/1131548542.db2.gz SIIIYYDENKHXOP-GOSISDBHSA-N 1 2 336.501 3.727 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+](Cc2cccs2)C(C)C)C1=O ZINC000740854287 1131548544 /nfs/dbraw/zinc/54/85/44/1131548544.db2.gz SIIIYYDENKHXOP-GOSISDBHSA-N 1 2 336.501 3.727 20 0 EHADLO Clc1ccc(CCC[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000740876410 1131551839 /nfs/dbraw/zinc/55/18/39/1131551839.db2.gz TWRDQCXCBRSLJD-INIZCTEOSA-N 1 2 347.846 3.607 20 0 EHADLO Clc1ccc(CCC[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000740876410 1131551841 /nfs/dbraw/zinc/55/18/41/1131551841.db2.gz TWRDQCXCBRSLJD-INIZCTEOSA-N 1 2 347.846 3.607 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943488 1131559479 /nfs/dbraw/zinc/55/94/79/1131559479.db2.gz VXSXAZDQNRZUDA-OLZOCXBDSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943488 1131559484 /nfs/dbraw/zinc/55/94/84/1131559484.db2.gz VXSXAZDQNRZUDA-OLZOCXBDSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988395 1131563853 /nfs/dbraw/zinc/56/38/53/1131563853.db2.gz ZVYKWXKGVRGTRV-HUUCEWRRSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988395 1131563858 /nfs/dbraw/zinc/56/38/58/1131563858.db2.gz ZVYKWXKGVRGTRV-HUUCEWRRSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000741029344 1131571591 /nfs/dbraw/zinc/57/15/91/1131571591.db2.gz NSFFBWFCBJDEEM-HOTGVXAUSA-N 1 2 343.467 3.554 20 0 EHADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145002 1131583181 /nfs/dbraw/zinc/58/31/81/1131583181.db2.gz IVFODXKSQBUSFC-BXUZGUMPSA-N 1 2 337.370 3.520 20 0 EHADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145002 1131583183 /nfs/dbraw/zinc/58/31/83/1131583183.db2.gz IVFODXKSQBUSFC-BXUZGUMPSA-N 1 2 337.370 3.520 20 0 EHADLO CCN(Cc1cccs1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000065304388 1131600816 /nfs/dbraw/zinc/60/08/16/1131600816.db2.gz YKKSQNZEUAKAFE-UHFFFAOYSA-N 1 2 333.457 3.500 20 0 EHADLO CC(C)CNC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741874646 1131662857 /nfs/dbraw/zinc/66/28/57/1131662857.db2.gz JBPUKHBPCIJSSA-CQSZACIVSA-N 1 2 339.936 3.549 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C[C@@H]21 ZINC000742164643 1131691682 /nfs/dbraw/zinc/69/16/82/1131691682.db2.gz AJJGKCDOWJATCS-IYBDPMFKSA-N 1 2 340.496 3.642 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C[C@@H]21 ZINC000742164643 1131691685 /nfs/dbraw/zinc/69/16/85/1131691685.db2.gz AJJGKCDOWJATCS-IYBDPMFKSA-N 1 2 340.496 3.642 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000742490913 1131736723 /nfs/dbraw/zinc/73/67/23/1131736723.db2.gz GNVMANGFZKRXRS-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000742490913 1131736728 /nfs/dbraw/zinc/73/67/28/1131736728.db2.gz GNVMANGFZKRXRS-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCOC(C)C ZINC001172442839 1131743263 /nfs/dbraw/zinc/74/32/63/1131743263.db2.gz VKSLBNFKNXROSC-YOEHRIQHSA-N 1 2 341.879 3.607 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ncccc3Oc3ccccc3)cc2)C1 ZINC001212664557 1131755065 /nfs/dbraw/zinc/75/50/65/1131755065.db2.gz SKCLZHYVKAELPD-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4cc(Cl)cnc4c3)cc2)C1 ZINC001212672663 1131789975 /nfs/dbraw/zinc/78/99/75/1131789975.db2.gz UENJYFAXQYRHBE-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO C/C(=C\C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000742856922 1131807561 /nfs/dbraw/zinc/80/75/61/1131807561.db2.gz AGXVMECXTDYXEM-XBVMLYLOSA-N 1 2 345.446 3.924 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)C1CC1 ZINC000742942994 1131815918 /nfs/dbraw/zinc/81/59/18/1131815918.db2.gz VBFVHUHCVBJWPF-MRXNPFEDSA-N 1 2 329.488 3.583 20 0 EHADLO CC(=O)N1CCN(c2ccc(Nc3[nH+]cccc3C(C)C)cc2)CC1 ZINC001212681898 1131840505 /nfs/dbraw/zinc/84/05/05/1131840505.db2.gz DTPWISYMOWHBKT-UHFFFAOYSA-N 1 2 338.455 3.617 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172836011 1131856787 /nfs/dbraw/zinc/85/67/87/1131856787.db2.gz RZFAWYNNLQPZDT-LEWJYISDSA-N 1 2 337.463 3.616 20 0 EHADLO Cc1nc([C@H]2COCC[N@@H+]2[C@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834102 1131857022 /nfs/dbraw/zinc/85/70/22/1131857022.db2.gz RXAKWBAXQGUQLR-PKOBYXMFSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@H]2COCC[N@H+]2[C@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834102 1131857030 /nfs/dbraw/zinc/85/70/30/1131857030.db2.gz RXAKWBAXQGUQLR-PKOBYXMFSA-N 1 2 328.481 3.691 20 0 EHADLO Cn1ccc2ccc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000743206275 1131868684 /nfs/dbraw/zinc/86/86/84/1131868684.db2.gz ZMYRSBLTJONERU-QGZVFWFLSA-N 1 2 339.443 3.611 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1c(F)cccc1Cl)C1CCCC1 ZINC001172851312 1131870434 /nfs/dbraw/zinc/87/04/34/1131870434.db2.gz HDNQNOXBFFGUBO-BZNIZROVSA-N 1 2 327.827 3.732 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)CSc2ccc(Cl)cc2)CCCC1 ZINC001172875569 1131892755 /nfs/dbraw/zinc/89/27/55/1131892755.db2.gz PTUSXNRCHAKXCL-LBPRGKRZSA-N 1 2 327.877 3.896 20 0 EHADLO Cc1cccc2c1CC[N@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C2 ZINC000743362057 1131901201 /nfs/dbraw/zinc/90/12/01/1131901201.db2.gz FDYHJVMTSATGNA-IBGZPJMESA-N 1 2 340.854 3.938 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C2 ZINC000743362057 1131901208 /nfs/dbraw/zinc/90/12/08/1131901208.db2.gz FDYHJVMTSATGNA-IBGZPJMESA-N 1 2 340.854 3.938 20 0 EHADLO CO[C@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001172924904 1131906271 /nfs/dbraw/zinc/90/62/71/1131906271.db2.gz ZKXDRMIZXBOAAZ-QYZOEREBSA-N 1 2 347.499 3.877 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1=S ZINC000743389168 1131908873 /nfs/dbraw/zinc/90/88/73/1131908873.db2.gz IOVDIEKBKRAXGU-QGZVFWFLSA-N 1 2 349.475 3.826 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1=S ZINC000743389168 1131908878 /nfs/dbraw/zinc/90/88/78/1131908878.db2.gz IOVDIEKBKRAXGU-QGZVFWFLSA-N 1 2 349.475 3.826 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1c(C)cccc1F)c1ccccc1 ZINC000743483553 1131932047 /nfs/dbraw/zinc/93/20/47/1131932047.db2.gz BNXOVPHFCIBOMQ-IBGZPJMESA-N 1 2 328.431 3.833 20 0 EHADLO O=C1c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2CN1C1CC1 ZINC001212700027 1131936085 /nfs/dbraw/zinc/93/60/85/1131936085.db2.gz QAMXZSMJDZHPET-UHFFFAOYSA-N 1 2 344.418 3.793 20 0 EHADLO C[C@@H](CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000743610870 1131950319 /nfs/dbraw/zinc/95/03/19/1131950319.db2.gz ASPQUVAQHCPLGD-DOTOQJQBSA-N 1 2 342.487 3.685 20 0 EHADLO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076823 1131956507 /nfs/dbraw/zinc/95/65/07/1131956507.db2.gz PJZMYTILQZHGQV-WBVHZDCISA-N 1 2 346.471 3.589 20 0 EHADLO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076823 1131956510 /nfs/dbraw/zinc/95/65/10/1131956510.db2.gz PJZMYTILQZHGQV-WBVHZDCISA-N 1 2 346.471 3.589 20 0 EHADLO Fc1cnc(Cl)c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001212733830 1132076541 /nfs/dbraw/zinc/07/65/41/1132076541.db2.gz PDNNWWYEBMKANO-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000744431175 1132095535 /nfs/dbraw/zinc/09/55/35/1132095535.db2.gz FQAWETVGLASMPU-MRXNPFEDSA-N 1 2 330.447 3.767 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000744431175 1132095543 /nfs/dbraw/zinc/09/55/43/1132095543.db2.gz FQAWETVGLASMPU-MRXNPFEDSA-N 1 2 330.447 3.767 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cc(F)cc(CO)c2)cc[nH+]1 ZINC001212741663 1132102406 /nfs/dbraw/zinc/10/24/06/1132102406.db2.gz MDLRTSALWBBUCR-UHFFFAOYSA-N 1 2 333.363 3.804 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000744448597 1132102481 /nfs/dbraw/zinc/10/24/81/1132102481.db2.gz VLZDVEQFSRSIDR-BTDLBPIBSA-N 1 2 333.794 3.567 20 0 EHADLO COc1ccc(OC)c(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001173917175 1132173860 /nfs/dbraw/zinc/17/38/60/1132173860.db2.gz OGDYOYKBPZNLSC-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccsc2)oc1C ZINC000745088360 1132190582 /nfs/dbraw/zinc/19/05/82/1132190582.db2.gz NCXWYABGVFYNQI-OAHLLOKOSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccsc2)oc1C ZINC000745088360 1132190585 /nfs/dbraw/zinc/19/05/85/1132190585.db2.gz NCXWYABGVFYNQI-OAHLLOKOSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000745084011 1132191187 /nfs/dbraw/zinc/19/11/87/1132191187.db2.gz QFTQSTFWNJOOGF-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000745084011 1132191193 /nfs/dbraw/zinc/19/11/93/1132191193.db2.gz QFTQSTFWNJOOGF-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000745084012 1132191714 /nfs/dbraw/zinc/19/17/14/1132191714.db2.gz QFTQSTFWNJOOGF-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000745084012 1132191719 /nfs/dbraw/zinc/19/17/19/1132191719.db2.gz QFTQSTFWNJOOGF-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100202 1132194237 /nfs/dbraw/zinc/19/42/37/1132194237.db2.gz LLBLWOSSCURRHS-VQTJNVASSA-N 1 2 339.435 3.537 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100202 1132194243 /nfs/dbraw/zinc/19/42/43/1132194243.db2.gz LLBLWOSSCURRHS-VQTJNVASSA-N 1 2 339.435 3.537 20 0 EHADLO CCc1ccc(-c2nc(COC(=O)[C@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000745080261 1132194815 /nfs/dbraw/zinc/19/48/15/1132194815.db2.gz RHYWPKSUCBSHSZ-QGZVFWFLSA-N 1 2 344.480 3.900 20 0 EHADLO CCc1ccc(-c2nc(COC(=O)[C@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000745080261 1132194823 /nfs/dbraw/zinc/19/48/23/1132194823.db2.gz RHYWPKSUCBSHSZ-QGZVFWFLSA-N 1 2 344.480 3.900 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001173975233 1132205558 /nfs/dbraw/zinc/20/55/58/1132205558.db2.gz PKSXGDUFRLLAEM-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO COc1ccc(F)c(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001174208257 1132285209 /nfs/dbraw/zinc/28/52/09/1132285209.db2.gz JWTFCQYJJSTUHF-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CCN(C)C(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001174318948 1132316102 /nfs/dbraw/zinc/31/61/02/1132316102.db2.gz FXSXDOLZESQFSU-UHFFFAOYSA-N 1 2 334.423 3.767 20 0 EHADLO Cn1ncc2ccc(Nc3ccc4[nH+]cc(Br)n4c3)cc21 ZINC001174338311 1132322715 /nfs/dbraw/zinc/32/27/15/1132322715.db2.gz IRHIPIHOFGDBQP-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426786 1132338294 /nfs/dbraw/zinc/33/82/94/1132338294.db2.gz MIPWHMLPGWCYNV-LSDHHAIUSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426786 1132338302 /nfs/dbraw/zinc/33/83/02/1132338302.db2.gz MIPWHMLPGWCYNV-LSDHHAIUSA-N 1 2 326.440 3.666 20 0 EHADLO COCCCN(c1ccc2c(c1)[nH+]cn2C(C)C)c1ncccc1N ZINC001174380389 1132343489 /nfs/dbraw/zinc/34/34/89/1132343489.db2.gz DRHBACIUNVOGPJ-UHFFFAOYSA-N 1 2 339.443 3.769 20 0 EHADLO COC(=O)c1c(Nc2ccc3c(c2)[nH+]cn3C(C)C)cncc1OC ZINC001174382636 1132344247 /nfs/dbraw/zinc/34/42/47/1132344247.db2.gz ZRFLREXNRGCILO-UHFFFAOYSA-N 1 2 340.383 3.551 20 0 EHADLO c1cc2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2cn1 ZINC001174431660 1132352377 /nfs/dbraw/zinc/35/23/77/1132352377.db2.gz DCPMDMZPGBPYCN-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO COc1cccc(C[N@H+](CC(C)C)Cn2ncn(C3CC3)c2=S)c1 ZINC000746053148 1132357809 /nfs/dbraw/zinc/35/78/09/1132357809.db2.gz FABMQOILAHGWOC-UHFFFAOYSA-N 1 2 346.500 3.873 20 0 EHADLO COc1cccc(C[N@@H+](CC(C)C)Cn2ncn(C3CC3)c2=S)c1 ZINC000746053148 1132357818 /nfs/dbraw/zinc/35/78/18/1132357818.db2.gz FABMQOILAHGWOC-UHFFFAOYSA-N 1 2 346.500 3.873 20 0 EHADLO Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1OC[C@@H]1CCCO1 ZINC001174411173 1132366007 /nfs/dbraw/zinc/36/60/07/1132366007.db2.gz NDRQESQEOQWJOH-ZDUSSCGKSA-N 1 2 327.359 3.955 20 0 EHADLO Nc1cc2c(ccn2-c2cc[nH+]c3[nH]ccc32)c(Br)c1 ZINC001174415407 1132368154 /nfs/dbraw/zinc/36/81/54/1132368154.db2.gz LRWJCMSXKIJZKV-UHFFFAOYSA-N 1 2 327.185 3.803 20 0 EHADLO c1nn2cc(Nc3ccc(N4CCCCC4)[nH+]c3)cnc2c1C1CC1 ZINC001174522732 1132400179 /nfs/dbraw/zinc/40/01/79/1132400179.db2.gz WQGDTNAZPXKPJJ-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO O=c1[nH]cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1Br ZINC001174522629 1132400499 /nfs/dbraw/zinc/40/04/99/1132400499.db2.gz POIPFLPXUJVXQR-UHFFFAOYSA-N 1 2 349.232 3.679 20 0 EHADLO COc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(OC)c1F ZINC001174523572 1132400637 /nfs/dbraw/zinc/40/06/37/1132400637.db2.gz OYKRHZVIPKRDDB-UHFFFAOYSA-N 1 2 331.391 3.972 20 0 EHADLO Fc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1OC1COC1 ZINC001174523918 1132401394 /nfs/dbraw/zinc/40/13/94/1132401394.db2.gz YFVYWQCFAGRPFR-UHFFFAOYSA-N 1 2 343.402 3.732 20 0 EHADLO Cc1c(Nc2ccc(N3CCCCC3)[nH+]c2)ccc2c1OCCO2 ZINC001174525174 1132401475 /nfs/dbraw/zinc/40/14/75/1132401475.db2.gz RUTIEBFQKSKIDP-UHFFFAOYSA-N 1 2 325.412 3.895 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccn4cc(C)[nH+]c34)c(C)n2)cc1 ZINC001174576377 1132404095 /nfs/dbraw/zinc/40/40/95/1132404095.db2.gz SVCCOGXEMDHKTK-UHFFFAOYSA-N 1 2 347.422 3.948 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc2c1C ZINC000746321326 1132437677 /nfs/dbraw/zinc/43/76/77/1132437677.db2.gz PIQVYGGIEDPJTQ-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc2c1C ZINC000746321326 1132437684 /nfs/dbraw/zinc/43/76/84/1132437684.db2.gz PIQVYGGIEDPJTQ-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC000188839994 1132439556 /nfs/dbraw/zinc/43/95/56/1132439556.db2.gz OQJDBQBBDZFDMP-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC000188839994 1132439562 /nfs/dbraw/zinc/43/95/62/1132439562.db2.gz OQJDBQBBDZFDMP-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2cccc(F)c2C)[nH+]1 ZINC001174664979 1132443402 /nfs/dbraw/zinc/44/34/02/1132443402.db2.gz JOEFZDHVWRXZRR-RYUDHWBXSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1nc(Nc2cccc(F)c2C)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174664979 1132443406 /nfs/dbraw/zinc/44/34/06/1132443406.db2.gz JOEFZDHVWRXZRR-RYUDHWBXSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189608186 1132446354 /nfs/dbraw/zinc/44/63/54/1132446354.db2.gz ROGCNTFLWNGADW-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CC(C)(C)OC(=O)N=C1C=C[N@@H+](c2ccc(C(F)F)cc2)C=C1N ZINC001174714346 1132449839 /nfs/dbraw/zinc/44/98/39/1132449839.db2.gz QGUPTDUBGVSFBN-UHFFFAOYSA-N 1 2 335.354 3.833 20 0 EHADLO CC(C)(C)OC(=O)N=C1C=C[N@H+](c2ccc(C(F)F)cc2)C=C1N ZINC001174714346 1132449843 /nfs/dbraw/zinc/44/98/43/1132449843.db2.gz QGUPTDUBGVSFBN-UHFFFAOYSA-N 1 2 335.354 3.833 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000191955896 1132467282 /nfs/dbraw/zinc/46/72/82/1132467282.db2.gz YKBUFWSIDPQOHR-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000191955896 1132467290 /nfs/dbraw/zinc/46/72/90/1132467290.db2.gz YKBUFWSIDPQOHR-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000193645820 1132482271 /nfs/dbraw/zinc/48/22/71/1132482271.db2.gz RRGYFBPZPZOPPO-GOSISDBHSA-N 1 2 325.456 3.604 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000193645820 1132482277 /nfs/dbraw/zinc/48/22/77/1132482277.db2.gz RRGYFBPZPZOPPO-GOSISDBHSA-N 1 2 325.456 3.604 20 0 EHADLO Cc1cc(N)nc(SCc2csc(Nc3ccccc3)n2)[nH+]1 ZINC000054156394 1132501579 /nfs/dbraw/zinc/50/15/79/1132501579.db2.gz IHQHGQJULOGDRA-UHFFFAOYSA-N 1 2 329.454 3.860 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2ncn(CC)c2=S)CC[C@@H]1c1ccccc1 ZINC000746382792 1132505429 /nfs/dbraw/zinc/50/54/29/1132505429.db2.gz OIVMUPDBMKTONL-WBVHZDCISA-N 1 2 330.501 3.907 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2ncn(CC)c2=S)CC[C@@H]1c1ccccc1 ZINC000746382792 1132505434 /nfs/dbraw/zinc/50/54/34/1132505434.db2.gz OIVMUPDBMKTONL-WBVHZDCISA-N 1 2 330.501 3.907 20 0 EHADLO Clc1nc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2s1 ZINC001174975732 1132510229 /nfs/dbraw/zinc/51/02/29/1132510229.db2.gz BIVYYKSMGSRGJO-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO Clc1ccc2ncccc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975683 1132510649 /nfs/dbraw/zinc/51/06/49/1132510649.db2.gz AGXIWEJIANNNMJ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO FC(F)(F)Oc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174977037 1132510890 /nfs/dbraw/zinc/51/08/90/1132510890.db2.gz KPCXYSJXRNRBDZ-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO CCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766404150 1132530014 /nfs/dbraw/zinc/53/00/14/1132530014.db2.gz LRCHCYDARCTOPO-UHFFFAOYSA-N 1 2 325.416 3.592 20 0 EHADLO CCOc1cc(F)c(Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC001175057013 1132536823 /nfs/dbraw/zinc/53/68/23/1132536823.db2.gz WWTMALWQJSWXIL-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO CCN(CC)c1ccc(NCc2cc(OC)ccc2OCOC)c[nH+]1 ZINC000766485319 1132558124 /nfs/dbraw/zinc/55/81/24/1132558124.db2.gz CXSNTCMWJJYGDD-UHFFFAOYSA-N 1 2 345.443 3.531 20 0 EHADLO CCOc1cccc(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175224606 1132600484 /nfs/dbraw/zinc/60/04/84/1132600484.db2.gz IJGSQYWJQQFUNX-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)c[nH+]1 ZINC001175344066 1132627234 /nfs/dbraw/zinc/62/72/34/1132627234.db2.gz RVQNZBNGOYVXLC-OAHLLOKOSA-N 1 2 331.391 3.588 20 0 EHADLO CN(C)c1ccc(Nc2ccc(F)c(C(=O)OC(C)(C)C)c2)c[nH+]1 ZINC001175344760 1132627427 /nfs/dbraw/zinc/62/74/27/1132627427.db2.gz ZSTUPHSPOJRQLH-UHFFFAOYSA-N 1 2 331.391 3.986 20 0 EHADLO CN(C)c1ccc(Nc2cccc3c(Br)nn(C)c32)c[nH+]1 ZINC001175345170 1132627851 /nfs/dbraw/zinc/62/78/51/1132627851.db2.gz OAMRYZIXXJFGFI-UHFFFAOYSA-N 1 2 346.232 3.540 20 0 EHADLO COC(=O)c1cc2cc(Nc3ccc(N(C)C)[nH+]c3)ccc2s1 ZINC001175345233 1132628106 /nfs/dbraw/zinc/62/81/06/1132628106.db2.gz SIJVMEQNYUVGRI-UHFFFAOYSA-N 1 2 327.409 3.893 20 0 EHADLO Fc1ccc(Cn2nccc2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175345998 1132629287 /nfs/dbraw/zinc/62/92/87/1132629287.db2.gz LFORKJBZXNOACM-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO FC(F)(F)COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC001175349150 1132640731 /nfs/dbraw/zinc/64/07/31/1132640731.db2.gz LOZSNYYPFVEPJP-UHFFFAOYSA-N 1 2 338.333 3.762 20 0 EHADLO CC(C)S(=O)(=O)c1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351705 1132645415 /nfs/dbraw/zinc/64/54/15/1132645415.db2.gz RUDHENXXMFIBLG-UHFFFAOYSA-N 1 2 345.468 3.608 20 0 EHADLO CCOC(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1C ZINC001175349751 1132645975 /nfs/dbraw/zinc/64/59/75/1132645975.db2.gz FHHVSOCUKVERAD-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352674 1132646927 /nfs/dbraw/zinc/64/69/27/1132646927.db2.gz MJYPELROBHHDLR-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc4ncccc4c3)c[nH+]2)C[C@H](C)O1 ZINC001175373112 1132653354 /nfs/dbraw/zinc/65/33/54/1132653354.db2.gz VTKGDFNPHKKPLV-GASCZTMLSA-N 1 2 334.423 3.987 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491779 1132682591 /nfs/dbraw/zinc/68/25/91/1132682591.db2.gz LSMJQNOBBVHAIO-FPOVZHCZSA-N 1 2 344.474 3.881 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491779 1132682594 /nfs/dbraw/zinc/68/25/94/1132682594.db2.gz LSMJQNOBBVHAIO-FPOVZHCZSA-N 1 2 344.474 3.881 20 0 EHADLO COc1c[nH+]c(NCc2cc(C)c(Br)cn2)c2[nH]ccc21 ZINC001169204175 1132692192 /nfs/dbraw/zinc/69/21/92/1132692192.db2.gz QOAJAQNAUGNVBI-UHFFFAOYSA-N 1 2 347.216 3.650 20 0 EHADLO c1nnc(C[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)[nH]1 ZINC001175530527 1132701567 /nfs/dbraw/zinc/70/15/67/1132701567.db2.gz DGUGODUBYOPQTD-QGZVFWFLSA-N 1 2 334.423 3.804 20 0 EHADLO c1nnc(C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)[nH]1 ZINC001175530527 1132701571 /nfs/dbraw/zinc/70/15/71/1132701571.db2.gz DGUGODUBYOPQTD-QGZVFWFLSA-N 1 2 334.423 3.804 20 0 EHADLO COCCOc1ccc(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712583 1132740162 /nfs/dbraw/zinc/74/01/62/1132740162.db2.gz DLLHNPNHAVQQGG-UHFFFAOYSA-N 1 2 345.296 3.591 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCCC[C@@H](C)C1 ZINC001169395532 1132746076 /nfs/dbraw/zinc/74/60/76/1132746076.db2.gz JFNJMAFUZLZTRL-DOMZBBRYSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCCC[C@@H](C)C1 ZINC001169395532 1132746082 /nfs/dbraw/zinc/74/60/82/1132746082.db2.gz JFNJMAFUZLZTRL-DOMZBBRYSA-N 1 2 340.261 3.785 20 0 EHADLO OCC[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc2ccccc21 ZINC001169421647 1132750357 /nfs/dbraw/zinc/75/03/57/1132750357.db2.gz FCQAZGMNVZLYHT-IBGZPJMESA-N 1 2 348.450 3.766 20 0 EHADLO OCC[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc2ccccc21 ZINC001169421647 1132750360 /nfs/dbraw/zinc/75/03/60/1132750360.db2.gz FCQAZGMNVZLYHT-IBGZPJMESA-N 1 2 348.450 3.766 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ncc1Br ZINC001175707636 1132754647 /nfs/dbraw/zinc/75/46/47/1132754647.db2.gz IQXVEBGABZMNNN-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO c1c(Nc2cccc(C[NH+]3CCOCC3)c2)onc1-c1ccccc1 ZINC001175856450 1132784324 /nfs/dbraw/zinc/78/43/24/1132784324.db2.gz CWYPJHZFHYNUEI-UHFFFAOYSA-N 1 2 335.407 3.917 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804332730 1132800692 /nfs/dbraw/zinc/80/06/92/1132800692.db2.gz QHWOFYMSUNKNTG-KRWDZBQOSA-N 1 2 341.455 3.587 20 0 EHADLO CN(C)c1cc(CN2CCN(C3CC3)c3ccc(Cl)cc32)cc[nH+]1 ZINC001169613228 1132805818 /nfs/dbraw/zinc/80/58/18/1132805818.db2.gz GRHPLLXITOFZGO-UHFFFAOYSA-N 1 2 342.874 3.790 20 0 EHADLO FC(F)(F)Oc1cc[nH+]c(Nc2cccc(N3CCOCC3)c2)c1 ZINC001176019002 1132821040 /nfs/dbraw/zinc/82/10/40/1132821040.db2.gz GKQDXEGJYVHJKJ-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO OCC[N@H+](Cc1nc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000766797031 1132829733 /nfs/dbraw/zinc/82/97/33/1132829733.db2.gz PLKFXZBXEPMZBL-INIZCTEOSA-N 1 2 337.250 3.870 20 0 EHADLO OCC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000766797031 1132829739 /nfs/dbraw/zinc/82/97/39/1132829739.db2.gz PLKFXZBXEPMZBL-INIZCTEOSA-N 1 2 337.250 3.870 20 0 EHADLO COc1cc[nH+]cc1Nc1ccccc1CNC(=O)OC(C)(C)C ZINC001176124186 1132852782 /nfs/dbraw/zinc/85/27/82/1132852782.db2.gz KMBSCEBIEUZMDE-UHFFFAOYSA-N 1 2 329.400 3.859 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(OCC2CCOCC2)c(F)c1 ZINC001176122965 1132853151 /nfs/dbraw/zinc/85/31/51/1132853151.db2.gz DGRNUHPNXHMVOE-UHFFFAOYSA-N 1 2 332.375 3.778 20 0 EHADLO C(=CNc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC001176217784 1132878892 /nfs/dbraw/zinc/87/88/92/1132878892.db2.gz OSDITJCDHJWQGQ-VZUCSPMQSA-N 1 2 338.451 3.566 20 0 EHADLO Clc1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001176223382 1132879463 /nfs/dbraw/zinc/87/94/63/1132879463.db2.gz QRTGLRYDPWLPIZ-UHFFFAOYSA-N 1 2 343.858 3.604 20 0 EHADLO O=C1CCc2cc(Nc3cc(Br)cn4cc[nH+]c34)ccc21 ZINC001176232652 1132882122 /nfs/dbraw/zinc/88/21/22/1132882122.db2.gz NMJLKDINLWDGSR-UHFFFAOYSA-N 1 2 342.196 3.969 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC001169898304 1132891366 /nfs/dbraw/zinc/89/13/66/1132891366.db2.gz AIYXRQGGILJGCO-DOTOQJQBSA-N 1 2 334.529 3.877 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC001169898304 1132891375 /nfs/dbraw/zinc/89/13/75/1132891375.db2.gz AIYXRQGGILJGCO-DOTOQJQBSA-N 1 2 334.529 3.877 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000766883629 1132902876 /nfs/dbraw/zinc/90/28/76/1132902876.db2.gz XCPTVYWIIQIITK-OLZOCXBDSA-N 1 2 346.308 3.599 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@@]3(C)CC3(C)C)c2)cc[nH+]1 ZINC001176357240 1132919494 /nfs/dbraw/zinc/91/94/94/1132919494.db2.gz KREUTANQFHDBDT-HXUWFJFHSA-N 1 2 338.455 3.563 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2ccsc21 ZINC000767067211 1132940462 /nfs/dbraw/zinc/94/04/62/1132940462.db2.gz NIEBZFXTJPHFNC-HNNXBMFYSA-N 1 2 327.453 3.943 20 0 EHADLO CCN(C)C(=O)c1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001176466270 1132942284 /nfs/dbraw/zinc/94/22/84/1132942284.db2.gz WNVHYJPJZHIZIG-UHFFFAOYSA-N 1 2 334.423 3.767 20 0 EHADLO CC(C)Oc1cc(Nc2ccccc2C[NH+]2CCOCC2)c(F)cn1 ZINC001176483249 1132945179 /nfs/dbraw/zinc/94/51/79/1132945179.db2.gz QSZDSBFKFAGZIB-UHFFFAOYSA-N 1 2 345.418 3.584 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001176515255 1132954557 /nfs/dbraw/zinc/95/45/57/1132954557.db2.gz MAPLKTBLEZPJGD-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO COc1nc(Br)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176744368 1132991024 /nfs/dbraw/zinc/99/10/24/1132991024.db2.gz VIMDQBMWIVQPLW-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO CCOC(=O)c1ncc(Cl)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749307 1132992174 /nfs/dbraw/zinc/99/21/74/1132992174.db2.gz CKTAHMSWXZUGKB-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@H+]1CCC1CCCCCC1 ZINC001176760953 1132999070 /nfs/dbraw/zinc/99/90/70/1132999070.db2.gz KYDRESDMKVXQNY-LJQANCHMSA-N 1 2 331.456 3.956 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@@H+]1CCC1CCCCCC1 ZINC001176760953 1132999074 /nfs/dbraw/zinc/99/90/74/1132999074.db2.gz KYDRESDMKVXQNY-LJQANCHMSA-N 1 2 331.456 3.956 20 0 EHADLO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(N(C)C)nc1 ZINC001176965047 1133016224 /nfs/dbraw/zinc/01/62/24/1133016224.db2.gz IFCLHKWYTZUNSK-CQSZACIVSA-N 1 2 344.528 3.751 20 0 EHADLO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(N(C)C)nc1 ZINC001176965047 1133016227 /nfs/dbraw/zinc/01/62/27/1133016227.db2.gz IFCLHKWYTZUNSK-CQSZACIVSA-N 1 2 344.528 3.751 20 0 EHADLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1C1CCCCC1 ZINC001176965598 1133016416 /nfs/dbraw/zinc/01/64/16/1133016416.db2.gz QSZIJCVRMIUUFG-MOPGFXCFSA-N 1 2 341.499 3.869 20 0 EHADLO CC1(C)CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)Cc2ccccc21 ZINC001176964248 1133016869 /nfs/dbraw/zinc/01/68/69/1133016869.db2.gz FTOMOYCKOKMROG-SFHVURJKSA-N 1 2 349.478 3.618 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)cc2)o1 ZINC000767587855 1133019757 /nfs/dbraw/zinc/01/97/57/1133019757.db2.gz XESHXRMGTUYBOE-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC001177013157 1133021462 /nfs/dbraw/zinc/02/14/62/1133021462.db2.gz IUXNSFJLRQOKEU-UXHICEINSA-N 1 2 340.442 3.738 20 0 EHADLO FC1(F)Oc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2O1 ZINC001177382519 1133059355 /nfs/dbraw/zinc/05/93/55/1133059355.db2.gz UEMFJDQKRWQFSH-UHFFFAOYSA-N 1 2 335.335 3.867 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2CCC(C)C)c1C ZINC000767937951 1133073791 /nfs/dbraw/zinc/07/37/91/1133073791.db2.gz GZIZIMSQLPUZRK-INIZCTEOSA-N 1 2 333.476 3.817 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625127 1133088578 /nfs/dbraw/zinc/08/85/78/1133088578.db2.gz BBZDWKXRPUZZFJ-RBUKOAKNSA-N 1 2 342.414 3.651 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625127 1133088583 /nfs/dbraw/zinc/08/85/83/1133088583.db2.gz BBZDWKXRPUZZFJ-RBUKOAKNSA-N 1 2 342.414 3.651 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001177870568 1133105606 /nfs/dbraw/zinc/10/56/06/1133105606.db2.gz LILOGUPYRSVLIV-INIZCTEOSA-N 1 2 340.448 3.642 20 0 EHADLO Cc1ccc(C[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)c2ccccc2)cc1 ZINC001177930068 1133117119 /nfs/dbraw/zinc/11/71/19/1133117119.db2.gz YUYOZFONQPKMIC-XLIONFOSSA-N 1 2 333.435 3.853 20 0 EHADLO OCC1CCN(c2ccc(NC/C=C\c3ccc(F)cc3)[nH+]c2)CC1 ZINC001178059745 1133128439 /nfs/dbraw/zinc/12/84/39/1133128439.db2.gz IFQGKHPTPSAJKV-UPHRSURJSA-N 1 2 341.430 3.555 20 0 EHADLO CCN(CC)c1ccc(NCc2cc(OC)c(OC)cc2C)c[nH+]1 ZINC001178254079 1133146128 /nfs/dbraw/zinc/14/61/28/1133146128.db2.gz JJENCTLOMQDXRZ-UHFFFAOYSA-N 1 2 329.444 3.866 20 0 EHADLO CCn1ncnc1CNc1ccc2[nH]c(-c3ccc(F)cc3)[nH+]c2c1 ZINC001178895417 1133207211 /nfs/dbraw/zinc/20/72/11/1133207211.db2.gz JUOHIXWLAYLSDM-UHFFFAOYSA-N 1 2 336.374 3.593 20 0 EHADLO COC[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1cccc(Cl)c1 ZINC001178860111 1133207398 /nfs/dbraw/zinc/20/73/98/1133207398.db2.gz RZFPBMSWLLGUGX-HNNXBMFYSA-N 1 2 332.787 3.664 20 0 EHADLO CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC001179378154 1133248596 /nfs/dbraw/zinc/24/85/96/1133248596.db2.gz RBLFWQVLQOTYQV-QGZVFWFLSA-N 1 2 334.891 3.857 20 0 EHADLO CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC001179378154 1133248601 /nfs/dbraw/zinc/24/86/01/1133248601.db2.gz RBLFWQVLQOTYQV-QGZVFWFLSA-N 1 2 334.891 3.857 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769244473 1133250825 /nfs/dbraw/zinc/25/08/25/1133250825.db2.gz OOLKIWHMGOCGLR-KRWDZBQOSA-N 1 2 339.395 3.575 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769244473 1133250831 /nfs/dbraw/zinc/25/08/31/1133250831.db2.gz OOLKIWHMGOCGLR-KRWDZBQOSA-N 1 2 339.395 3.575 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000769342300 1133267831 /nfs/dbraw/zinc/26/78/31/1133267831.db2.gz JVCCZSFLPJMLDW-CQSZACIVSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000769342300 1133267834 /nfs/dbraw/zinc/26/78/34/1133267834.db2.gz JVCCZSFLPJMLDW-CQSZACIVSA-N 1 2 341.282 3.970 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769388277 1133274916 /nfs/dbraw/zinc/27/49/16/1133274916.db2.gz KGTACUJAERLXAP-YOEHRIQHSA-N 1 2 332.444 3.664 20 0 EHADLO OCC[N@H+](Cc1occc1Br)[C@@H]1CCc2ccccc21 ZINC000769422373 1133281140 /nfs/dbraw/zinc/28/11/40/1133281140.db2.gz AZWWVOFBCVBLAB-OAHLLOKOSA-N 1 2 336.229 3.524 20 0 EHADLO OCC[N@@H+](Cc1occc1Br)[C@@H]1CCc2ccccc21 ZINC000769422373 1133281145 /nfs/dbraw/zinc/28/11/45/1133281145.db2.gz AZWWVOFBCVBLAB-OAHLLOKOSA-N 1 2 336.229 3.524 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1F ZINC001179788586 1133282277 /nfs/dbraw/zinc/28/22/77/1133282277.db2.gz CNEOSDBPHVRFQN-HNNXBMFYSA-N 1 2 347.283 3.529 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1F ZINC001179788587 1133282493 /nfs/dbraw/zinc/28/24/93/1133282493.db2.gz CNEOSDBPHVRFQN-OAHLLOKOSA-N 1 2 347.283 3.529 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CCN1C(=O)OC(C)(C)C ZINC000769395408 1133286687 /nfs/dbraw/zinc/28/66/87/1133286687.db2.gz GPYCDLRLUSGYFT-OAHLLOKOSA-N 1 2 341.455 3.676 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1C(=O)OC(C)(C)C ZINC000769395408 1133286691 /nfs/dbraw/zinc/28/66/91/1133286691.db2.gz GPYCDLRLUSGYFT-OAHLLOKOSA-N 1 2 341.455 3.676 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769753759 1133337418 /nfs/dbraw/zinc/33/74/18/1133337418.db2.gz VNRGWZIZRSBLOE-KRWDZBQOSA-N 1 2 349.434 3.602 20 0 EHADLO Clc1ncc(NCc2cccc3[nH+]ccn32)cc1Br ZINC000769760230 1133337845 /nfs/dbraw/zinc/33/78/45/1133337845.db2.gz NOMNUKSHFNFRKB-UHFFFAOYSA-N 1 2 337.608 3.757 20 0 EHADLO Brc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cn1 ZINC001180208991 1133343324 /nfs/dbraw/zinc/34/33/24/1133343324.db2.gz VAEUMCNKZNJDGW-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cn1 ZINC001180208991 1133343328 /nfs/dbraw/zinc/34/33/28/1133343328.db2.gz VAEUMCNKZNJDGW-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769943004 1133364183 /nfs/dbraw/zinc/36/41/83/1133364183.db2.gz PHPHUUYDQZAPTB-MRXNPFEDSA-N 1 2 343.862 3.908 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769943004 1133364184 /nfs/dbraw/zinc/36/41/84/1133364184.db2.gz PHPHUUYDQZAPTB-MRXNPFEDSA-N 1 2 343.862 3.908 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002623 1133376364 /nfs/dbraw/zinc/37/63/64/1133376364.db2.gz XDEKBIAEKJDFGY-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002623 1133376370 /nfs/dbraw/zinc/37/63/70/1133376370.db2.gz XDEKBIAEKJDFGY-INIZCTEOSA-N 1 2 329.893 3.692 20 0 EHADLO Cc1cc(Br)ccc1N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770078424 1133385065 /nfs/dbraw/zinc/38/50/65/1133385065.db2.gz QVOCTYYDFQVNLT-UHFFFAOYSA-N 1 2 344.212 3.682 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc2oc(=O)oc2c1 ZINC001180574152 1133387883 /nfs/dbraw/zinc/38/78/83/1133387883.db2.gz LSZPLKBJKZOWEB-UHFFFAOYSA-N 1 2 326.377 3.628 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc2oc(=O)oc2c1 ZINC001180574152 1133387887 /nfs/dbraw/zinc/38/78/87/1133387887.db2.gz LSZPLKBJKZOWEB-UHFFFAOYSA-N 1 2 326.377 3.628 20 0 EHADLO COc1ccc2cc(C(=O)OCc3cccc4[nH+]ccn43)c(C)nc2c1 ZINC000770155504 1133396789 /nfs/dbraw/zinc/39/67/89/1133396789.db2.gz BDWCLSDGEPCHCM-UHFFFAOYSA-N 1 2 347.374 3.557 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)CCO1 ZINC001180933367 1133430805 /nfs/dbraw/zinc/43/08/05/1133430805.db2.gz ADCXEDLEWVIILP-QGZVFWFLSA-N 1 2 325.474 3.704 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)CCO1 ZINC001180933367 1133430807 /nfs/dbraw/zinc/43/08/07/1133430807.db2.gz ADCXEDLEWVIILP-QGZVFWFLSA-N 1 2 325.474 3.704 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2ccnc3c(Br)cccc23)CCO1 ZINC001180936155 1133431715 /nfs/dbraw/zinc/43/17/15/1133431715.db2.gz USRRSQAJYATGOS-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2ccnc3c(Br)cccc23)CCO1 ZINC001180936155 1133431718 /nfs/dbraw/zinc/43/17/18/1133431718.db2.gz USRRSQAJYATGOS-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CC[C@H](C)C4(CCC4)C3)n2c(C)c1C ZINC000770670925 1133457696 /nfs/dbraw/zinc/45/76/96/1133457696.db2.gz MZJJSLFRNFKVKS-LBPRGKRZSA-N 1 2 345.516 3.655 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CC[C@H](C)C4(CCC4)C3)n2c(C)c1C ZINC000770670925 1133457699 /nfs/dbraw/zinc/45/76/99/1133457699.db2.gz MZJJSLFRNFKVKS-LBPRGKRZSA-N 1 2 345.516 3.655 20 0 EHADLO C/C=C(\CC)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181360697 1133480702 /nfs/dbraw/zinc/48/07/02/1133480702.db2.gz VTDIXGWXMMUKNY-CRKCGEKBSA-N 1 2 331.847 3.600 20 0 EHADLO O=C(CCCCCCCCCO)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181415235 1133483835 /nfs/dbraw/zinc/48/38/35/1133483835.db2.gz WAJUKGMCZZNGKX-UHFFFAOYSA-N 1 2 343.471 3.983 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2n1)OCc1cccc2[nH+]ccn21 ZINC000770920555 1133483852 /nfs/dbraw/zinc/48/38/52/1133483852.db2.gz LDAISNCGHQTQQX-ZHACJKMWSA-N 1 2 329.359 3.639 20 0 EHADLO O=C(CCc1ccc(OC(F)F)cc1)OCc1cccc2[nH+]ccn21 ZINC000770921397 1133483910 /nfs/dbraw/zinc/48/39/10/1133483910.db2.gz ABPPUWQYYBHYBB-UHFFFAOYSA-N 1 2 346.333 3.612 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1csc(Cc2ccccc2)n1 ZINC000770926714 1133485708 /nfs/dbraw/zinc/48/57/08/1133485708.db2.gz RLLKTUKVGFHBPW-UHFFFAOYSA-N 1 2 349.415 3.739 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000770929459 1133486297 /nfs/dbraw/zinc/48/62/97/1133486297.db2.gz PIHQLGSGSTZVNN-GHTZIAJQSA-N 1 2 332.403 3.672 20 0 EHADLO O=C(Cc1cccc(F)c1C(F)(F)F)Nc1ccn2cc[nH+]c2c1 ZINC001181673321 1133512575 /nfs/dbraw/zinc/51/25/75/1133512575.db2.gz LTTDGDCXJNALMH-UHFFFAOYSA-N 1 2 337.276 3.673 20 0 EHADLO CN(C)c1ccc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001182004162 1133561429 /nfs/dbraw/zinc/56/14/29/1133561429.db2.gz ADANORJOKXLPFP-UHFFFAOYSA-N 1 2 348.450 3.569 20 0 EHADLO Cc1ccccc1CNc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771911585 1133614983 /nfs/dbraw/zinc/61/49/83/1133614983.db2.gz OJWPAANJDOYGDN-UHFFFAOYSA-N 1 2 335.407 3.661 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000771957546 1133620855 /nfs/dbraw/zinc/62/08/55/1133620855.db2.gz JIUFFFFGCSHWTN-UHFFFAOYSA-N 1 2 328.318 3.685 20 0 EHADLO CC[C@H]1C[NH+](Cc2ccnn2CCc2ccccc2)C[C@H](CC)O1 ZINC001182461676 1133680196 /nfs/dbraw/zinc/68/01/96/1133680196.db2.gz KQCNMFJABKVVGM-PMACEKPBSA-N 1 2 327.472 3.515 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489380 1133694847 /nfs/dbraw/zinc/69/48/47/1133694847.db2.gz LCXQTQRWNAAIOT-WMLDXEAASA-N 1 2 335.492 3.544 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489380 1133694849 /nfs/dbraw/zinc/69/48/49/1133694849.db2.gz LCXQTQRWNAAIOT-WMLDXEAASA-N 1 2 335.492 3.544 20 0 EHADLO CC(C)C(C[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C)C(C)C ZINC001182595213 1133706597 /nfs/dbraw/zinc/70/65/97/1133706597.db2.gz QKLAQDIUGFHSAB-GOSISDBHSA-N 1 2 334.504 3.852 20 0 EHADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001182852714 1133739344 /nfs/dbraw/zinc/73/93/44/1133739344.db2.gz ZUJDHSMQWWGLLD-IBGZPJMESA-N 1 2 342.414 3.826 20 0 EHADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001182852714 1133739349 /nfs/dbraw/zinc/73/93/49/1133739349.db2.gz ZUJDHSMQWWGLLD-IBGZPJMESA-N 1 2 342.414 3.826 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000251 1133755907 /nfs/dbraw/zinc/75/59/07/1133755907.db2.gz LYLVKJRHMXKKEZ-CJNGLKHVSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000251 1133755912 /nfs/dbraw/zinc/75/59/12/1133755912.db2.gz LYLVKJRHMXKKEZ-CJNGLKHVSA-N 1 2 331.378 3.935 20 0 EHADLO C[C@@H](NC(=O)c1cc2ncccc2o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183030217 1133759236 /nfs/dbraw/zinc/75/92/36/1133759236.db2.gz OGKDZKKBMPWARA-CYBMUJFWSA-N 1 2 332.363 3.505 20 0 EHADLO C[C@@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183028462 1133759467 /nfs/dbraw/zinc/75/94/67/1133759467.db2.gz BNBQMFNFZOZACN-LLVKDONJSA-N 1 2 344.777 3.551 20 0 EHADLO CSC[C@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001183219021 1133780004 /nfs/dbraw/zinc/78/00/04/1133780004.db2.gz DAAPJIJOMZHUII-IINYFYTJSA-N 1 2 349.327 3.711 20 0 EHADLO Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)cc1O ZINC001183316912 1133792356 /nfs/dbraw/zinc/79/23/56/1133792356.db2.gz NGQJQISFIONBJO-INIZCTEOSA-N 1 2 335.407 3.893 20 0 EHADLO CN(C)c1cc(COC(=O)c2coc(C3CCCCC3)n2)cc[nH+]1 ZINC000786423484 1133847101 /nfs/dbraw/zinc/84/71/01/1133847101.db2.gz FTVYWSYLTXMHCM-UHFFFAOYSA-N 1 2 329.400 3.540 20 0 EHADLO O=C(Nc1cccc2cncc(F)c21)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183753791 1133854558 /nfs/dbraw/zinc/85/45/58/1133854558.db2.gz VBBWEFGSGWVSAT-GOSISDBHSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1cccc2cncc(F)c21)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183753791 1133854566 /nfs/dbraw/zinc/85/45/66/1133854566.db2.gz VBBWEFGSGWVSAT-GOSISDBHSA-N 1 2 335.382 3.587 20 0 EHADLO Fc1nccc(Cl)c1C[NH2+][C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001184429301 1133940864 /nfs/dbraw/zinc/94/08/64/1133940864.db2.gz VZTDYEYLLAGEBB-CRAIPNDOSA-N 1 2 348.805 3.647 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000787217823 1133968847 /nfs/dbraw/zinc/96/88/47/1133968847.db2.gz DYLVBZQTPWOUMD-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001184876917 1134001132 /nfs/dbraw/zinc/00/11/32/1134001132.db2.gz HOBVSWKJLRXJIT-UHFFFAOYSA-N 1 2 341.430 3.698 20 0 EHADLO CCOC(=O)CCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184964527 1134008252 /nfs/dbraw/zinc/00/82/52/1134008252.db2.gz MFCBKLCSWFBZKQ-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO CCOC(=O)Nc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184968475 1134009204 /nfs/dbraw/zinc/00/92/04/1134009204.db2.gz NFWAHORSSRHQNT-UHFFFAOYSA-N 1 2 326.400 3.994 20 0 EHADLO C[C@H](Cc1ccccc1)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)n[nH]1 ZINC001184980617 1134011051 /nfs/dbraw/zinc/01/10/51/1134011051.db2.gz RVMNUJSOTJQNOR-CQSZACIVSA-N 1 2 345.406 3.656 20 0 EHADLO CCCCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1OCC ZINC000787593587 1134017126 /nfs/dbraw/zinc/01/71/26/1134017126.db2.gz VIAWVWRNZDKFAS-UHFFFAOYSA-N 1 2 344.411 3.598 20 0 EHADLO OCc1cc(-c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)no1 ZINC001185042127 1134023986 /nfs/dbraw/zinc/02/39/86/1134023986.db2.gz AZOYJMCGIPWASF-UHFFFAOYSA-N 1 2 336.395 3.573 20 0 EHADLO COc1cc(C(C)=O)c(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185043930 1134024499 /nfs/dbraw/zinc/02/44/99/1134024499.db2.gz QSXRQALYLXSVRP-UHFFFAOYSA-N 1 2 329.375 3.776 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)cc1F ZINC000774828615 1134027699 /nfs/dbraw/zinc/02/76/99/1134027699.db2.gz WGGQZWOFOPIPIC-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO Cc1cccc(C2(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CCC2)c1 ZINC001185083187 1134034047 /nfs/dbraw/zinc/03/40/47/1134034047.db2.gz IMKRZDBHENPLDG-KRWDZBQOSA-N 1 2 337.467 3.936 20 0 EHADLO Cc1cccc(C2(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CCC2)c1 ZINC001185083189 1134034109 /nfs/dbraw/zinc/03/41/09/1134034109.db2.gz IMKRZDBHENPLDG-QGZVFWFLSA-N 1 2 337.467 3.936 20 0 EHADLO CCc1cc(N2CCO[C@@H](c3ccccc3Cl)C2)nc(CC)[nH+]1 ZINC001185312764 1134068014 /nfs/dbraw/zinc/06/80/14/1134068014.db2.gz HCVYCJVMKPTESX-MRXNPFEDSA-N 1 2 331.847 3.833 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C2CCC2)ccn1 ZINC001185315666 1134069157 /nfs/dbraw/zinc/06/91/57/1134069157.db2.gz FEYHTFNRXFLVAW-UHFFFAOYSA-N 1 2 332.407 3.846 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000788046375 1134070187 /nfs/dbraw/zinc/07/01/87/1134070187.db2.gz HZIZBDZKYVXSKX-UHFFFAOYSA-N 1 2 347.827 3.597 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC=CCC1 ZINC000788242863 1134099826 /nfs/dbraw/zinc/09/98/26/1134099826.db2.gz LKFZTHPWUOBKCK-JKSUJKDBSA-N 1 2 327.472 3.787 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC=CCC1 ZINC000788242863 1134099830 /nfs/dbraw/zinc/09/98/30/1134099830.db2.gz LKFZTHPWUOBKCK-JKSUJKDBSA-N 1 2 327.472 3.787 20 0 EHADLO CC(=O)N(c1nc(Cn2cc[nH+]c2)cs1)c1cccc(C)c1C ZINC000788638714 1134154488 /nfs/dbraw/zinc/15/44/88/1134154488.db2.gz IVAYZNDEDAZQOL-UHFFFAOYSA-N 1 2 326.425 3.689 20 0 EHADLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc[nH]c(=O)c1 ZINC000788711940 1134161732 /nfs/dbraw/zinc/16/17/32/1134161732.db2.gz PQEPANMRSOCMOO-CQSZACIVSA-N 1 2 332.407 3.876 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3c(F)cc(F)cc3F)c[nH+]c12 ZINC001186081602 1134165119 /nfs/dbraw/zinc/16/51/19/1134165119.db2.gz LQHVNQYWCAASJT-JTQLQIEISA-N 1 2 348.328 3.943 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788831790 1134179146 /nfs/dbraw/zinc/17/91/46/1134179146.db2.gz AICRZLXPGMUFJD-QIXNEVBVSA-N 1 2 342.826 3.818 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001186268396 1134190617 /nfs/dbraw/zinc/19/06/17/1134190617.db2.gz YIQQUMRPTXIXRH-UHFFFAOYSA-N 1 2 337.345 3.688 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nonc2C)ccc1OC1CCCC1 ZINC000775013362 1134208469 /nfs/dbraw/zinc/20/84/69/1134208469.db2.gz NLAYYGGZMSMVRA-GFCCVEGCSA-N 1 2 331.416 3.559 20 0 EHADLO Cc1cn2nc(NCc3c(Cl)cccc3-n3cc[nH+]c3)sc2n1 ZINC001186550097 1134235164 /nfs/dbraw/zinc/23/51/64/1134235164.db2.gz GLSBBCQLXZQIBS-UHFFFAOYSA-N 1 2 344.831 3.550 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)ccc(F)c1F ZINC000772733126 1134251409 /nfs/dbraw/zinc/25/14/09/1134251409.db2.gz FXXDJIWPBHYHRU-UHFFFAOYSA-N 1 2 332.281 3.647 20 0 EHADLO COc1cc(OC)c(NC(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001187372085 1134328763 /nfs/dbraw/zinc/32/87/63/1134328763.db2.gz IELFKAYNFKTWRW-UHFFFAOYSA-N 1 2 346.774 3.649 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)nc(Cl)c1 ZINC000789743574 1134330813 /nfs/dbraw/zinc/33/08/13/1134330813.db2.gz CCKMSHZSIODFGV-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)nc(Cl)c1 ZINC000789743574 1134330818 /nfs/dbraw/zinc/33/08/18/1134330818.db2.gz CCKMSHZSIODFGV-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2ccc3c(c2)CCN3C(=O)C(F)(F)F)c1 ZINC001203661579 1134333362 /nfs/dbraw/zinc/33/33/62/1134333362.db2.gz XFLGVVWJKYXOHK-UHFFFAOYSA-N 1 2 335.329 3.893 20 0 EHADLO CN(C)c1ccc(NCc2cnn(Cc3ccccc3)c2Cl)c[nH+]1 ZINC000789875902 1134339712 /nfs/dbraw/zinc/33/97/12/1134339712.db2.gz BLIZYVIMTNHBQJ-UHFFFAOYSA-N 1 2 341.846 3.658 20 0 EHADLO c1cn(-c2ccc(CSc3nnc4[nH]c5ccccc5n43)cc2)c[nH+]1 ZINC000790237437 1134383537 /nfs/dbraw/zinc/38/35/37/1134383537.db2.gz ZXJOIJHBJPZRHI-UHFFFAOYSA-N 1 2 346.419 3.689 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425986 1134414177 /nfs/dbraw/zinc/41/41/77/1134414177.db2.gz DNOAXRWBVJVTAG-LSDHHAIUSA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425986 1134414181 /nfs/dbraw/zinc/41/41/81/1134414181.db2.gz DNOAXRWBVJVTAG-LSDHHAIUSA-N 1 2 332.271 3.774 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001188181530 1134437541 /nfs/dbraw/zinc/43/75/41/1134437541.db2.gz NBEKQAFKDHZNFL-UHFFFAOYSA-N 1 2 329.375 3.503 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccccc2C(F)F)CC1 ZINC001188274620 1134449100 /nfs/dbraw/zinc/44/91/00/1134449100.db2.gz FEXPUTPXQKJLRK-UHFFFAOYSA-N 1 2 345.393 3.707 20 0 EHADLO COc1ccc(NC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC001188498782 1134473974 /nfs/dbraw/zinc/47/39/74/1134473974.db2.gz FMUQPILVHLFNBB-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)nn1 ZINC000790976501 1134493898 /nfs/dbraw/zinc/49/38/98/1134493898.db2.gz GFORUELLIWJDME-MRXNPFEDSA-N 1 2 326.444 3.569 20 0 EHADLO O=C(NCc1ccc(-c2ccco2)cc1F)c1cccc2[nH+]ccn21 ZINC000791060947 1134504408 /nfs/dbraw/zinc/50/44/08/1134504408.db2.gz KHPQJLRHLMPLDV-UHFFFAOYSA-N 1 2 335.338 3.663 20 0 EHADLO Fc1ccc(Cl)cc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC001188814595 1134512333 /nfs/dbraw/zinc/51/23/33/1134512333.db2.gz NHVCOBYZUJZEIG-UHFFFAOYSA-N 1 2 335.806 3.890 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000791269345 1134524247 /nfs/dbraw/zinc/52/42/47/1134524247.db2.gz AUEOVJPALQNNTL-KVNDZABWSA-N 1 2 327.472 3.787 20 0 EHADLO CC(=CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000791269345 1134524249 /nfs/dbraw/zinc/52/42/49/1134524249.db2.gz AUEOVJPALQNNTL-KVNDZABWSA-N 1 2 327.472 3.787 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(Cl)cn1C ZINC000791283917 1134529761 /nfs/dbraw/zinc/52/97/61/1134529761.db2.gz KMTHRWBCUQQJEQ-UHFFFAOYSA-N 1 2 329.787 3.530 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCCc1ccccn1 ZINC000791387255 1134542224 /nfs/dbraw/zinc/54/22/24/1134542224.db2.gz BYEKQVAUGIZNGV-UHFFFAOYSA-N 1 2 335.407 3.642 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1OCCc2ccccc21 ZINC000791419142 1134548368 /nfs/dbraw/zinc/54/83/68/1134548368.db2.gz ZZGVRBLCWHJXIW-HXUWFJFHSA-N 1 2 348.402 3.538 20 0 EHADLO Cc1cccnc1/C=C\C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791448637 1134553004 /nfs/dbraw/zinc/55/30/04/1134553004.db2.gz GVCVJSMFRAJYFN-FPLPWBNLSA-N 1 2 333.391 3.641 20 0 EHADLO Nc1cc(COC(=O)CCC(=O)c2ccc3ccccc3c2)cc[nH+]1 ZINC000791547161 1134571904 /nfs/dbraw/zinc/57/19/04/1134571904.db2.gz XRHCSMHKHFJKHG-UHFFFAOYSA-N 1 2 334.375 3.523 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CC2(Cl)Cl)sc1C ZINC000791614750 1134576897 /nfs/dbraw/zinc/57/68/97/1134576897.db2.gz IPQKRTUKOCABHT-UWVGGRQHSA-N 1 2 349.283 3.569 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CC2(Cl)Cl)sc1C ZINC000791614750 1134576901 /nfs/dbraw/zinc/57/69/01/1134576901.db2.gz IPQKRTUKOCABHT-UWVGGRQHSA-N 1 2 349.283 3.569 20 0 EHADLO CC[C@@H](C)n1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000791680811 1134589517 /nfs/dbraw/zinc/58/95/17/1134589517.db2.gz AAEKCTVDYSNENE-CQSZACIVSA-N 1 2 338.411 3.705 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791928934 1134627857 /nfs/dbraw/zinc/62/78/57/1134627857.db2.gz FONCKTUTZLURRS-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2[nH+]ccn21 ZINC001190062940 1134654212 /nfs/dbraw/zinc/65/42/12/1134654212.db2.gz ZAQJGSJAGZDOSF-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000792179151 1134663094 /nfs/dbraw/zinc/66/30/94/1134663094.db2.gz JABFGPLMCHWDPV-GOSISDBHSA-N 1 2 333.334 3.506 20 0 EHADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000792179151 1134663099 /nfs/dbraw/zinc/66/30/99/1134663099.db2.gz JABFGPLMCHWDPV-GOSISDBHSA-N 1 2 333.334 3.506 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](CC)Cc2cccc(Cl)c2)s1 ZINC001190364450 1134682466 /nfs/dbraw/zinc/68/24/66/1134682466.db2.gz ACNYNJMRGHXEIW-UHFFFAOYSA-N 1 2 338.860 3.995 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](CC)Cc2cccc(Cl)c2)s1 ZINC001190364450 1134682472 /nfs/dbraw/zinc/68/24/72/1134682472.db2.gz ACNYNJMRGHXEIW-UHFFFAOYSA-N 1 2 338.860 3.995 20 0 EHADLO CC(C)NC(=O)NCC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001190392068 1134690093 /nfs/dbraw/zinc/69/00/93/1134690093.db2.gz KQAYPMJMIZOYEU-HNNXBMFYSA-N 1 2 344.286 3.838 20 0 EHADLO CC(C)NC(=O)NCC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001190392068 1134690095 /nfs/dbraw/zinc/69/00/95/1134690095.db2.gz KQAYPMJMIZOYEU-HNNXBMFYSA-N 1 2 344.286 3.838 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCc2[nH+]ccn2CC1 ZINC001190415708 1134696765 /nfs/dbraw/zinc/69/67/65/1134696765.db2.gz LHCYTQMFYQZIMW-UHFFFAOYSA-N 1 2 348.406 3.766 20 0 EHADLO CC[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC001170184959 1134701143 /nfs/dbraw/zinc/70/11/43/1134701143.db2.gz YUWJSIQLAWPRFY-QRVBRYPASA-N 1 2 347.499 3.877 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170257362 1134725352 /nfs/dbraw/zinc/72/53/52/1134725352.db2.gz ZFZPXIDABOSIPP-DOMZBBRYSA-N 1 2 329.843 3.931 20 0 EHADLO CCC[N@H+](Cc1cn(C)nc1Br)Cc1ccc(F)cc1 ZINC001190604508 1134725993 /nfs/dbraw/zinc/72/59/93/1134725993.db2.gz FTNIIHIXRQPWAB-UHFFFAOYSA-N 1 2 340.240 3.734 20 0 EHADLO CCC[N@@H+](Cc1cn(C)nc1Br)Cc1ccc(F)cc1 ZINC001190604508 1134725995 /nfs/dbraw/zinc/72/59/95/1134725995.db2.gz FTNIIHIXRQPWAB-UHFFFAOYSA-N 1 2 340.240 3.734 20 0 EHADLO Cc1cc(C(=O)Nc2cc[nH+]c3c2CCC3)c(F)cc1C(F)(F)F ZINC001190751890 1134747325 /nfs/dbraw/zinc/74/73/25/1134747325.db2.gz HEYRVWFXWRFZLH-UHFFFAOYSA-N 1 2 338.304 3.711 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205015 1134816644 /nfs/dbraw/zinc/81/66/44/1134816644.db2.gz XRDYZEXDJMGTNY-AAEUAGOBSA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205015 1134816652 /nfs/dbraw/zinc/81/66/52/1134816652.db2.gz XRDYZEXDJMGTNY-AAEUAGOBSA-N 1 2 333.295 3.541 20 0 EHADLO C[C@@H]1C[N@H+](CCCSCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001191216013 1134818923 /nfs/dbraw/zinc/81/89/23/1134818923.db2.gz XLJGDRCKXQASGB-HIFRSBDPSA-N 1 2 333.419 3.962 20 0 EHADLO C[C@@H]1C[N@@H+](CCCSCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001191216013 1134818931 /nfs/dbraw/zinc/81/89/31/1134818931.db2.gz XLJGDRCKXQASGB-HIFRSBDPSA-N 1 2 333.419 3.962 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792921779 1134826201 /nfs/dbraw/zinc/82/62/01/1134826201.db2.gz MYVATOUNRIMOHV-VXGBXAGGSA-N 1 2 334.769 3.897 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792921779 1134826209 /nfs/dbraw/zinc/82/62/09/1134826209.db2.gz MYVATOUNRIMOHV-VXGBXAGGSA-N 1 2 334.769 3.897 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cc(F)ccc2C)CC1 ZINC001191388137 1134854273 /nfs/dbraw/zinc/85/42/73/1134854273.db2.gz DKIRTBVHZNFGFT-UHFFFAOYSA-N 1 2 342.418 3.608 20 0 EHADLO CCC(CC)(C(=O)OCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000793256963 1134890775 /nfs/dbraw/zinc/89/07/75/1134890775.db2.gz RESWKPRNGYGBAV-UHFFFAOYSA-N 1 2 334.847 3.917 20 0 EHADLO O=C(NCCc1ccccc1C(F)(F)F)c1cc2c[nH+]ccc2[nH]1 ZINC001151978323 1134939943 /nfs/dbraw/zinc/93/99/43/1134939943.db2.gz DSRXWVHPQFBTRL-UHFFFAOYSA-N 1 2 333.313 3.554 20 0 EHADLO CN(CCO)c1ccc([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC000793543423 1134952840 /nfs/dbraw/zinc/95/28/40/1134952840.db2.gz LTHHNHYPPRFUJG-VQTJNVASSA-N 1 2 340.467 3.773 20 0 EHADLO Cc1cccc(C[N@H+](C)Cn2c(=O)scc2C(F)(F)F)c1C ZINC000793573343 1134969675 /nfs/dbraw/zinc/96/96/75/1134969675.db2.gz WNNYAWRIBGKPMR-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cn2c(=O)scc2C(F)(F)F)c1C ZINC000793573343 1134969680 /nfs/dbraw/zinc/96/96/80/1134969680.db2.gz WNNYAWRIBGKPMR-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174719 1134980712 /nfs/dbraw/zinc/98/07/12/1134980712.db2.gz UJBLGSVGOVQXRO-OAHLLOKOSA-N 1 2 347.377 3.995 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174719 1134980715 /nfs/dbraw/zinc/98/07/15/1134980715.db2.gz UJBLGSVGOVQXRO-OAHLLOKOSA-N 1 2 347.377 3.995 20 0 EHADLO Cc1ccc(NC(=O)CCc2ccc3ccccc3c2O)c(N(C)C)[nH+]1 ZINC001152013543 1134990795 /nfs/dbraw/zinc/99/07/95/1134990795.db2.gz QAMPYQMYAJFJTO-UHFFFAOYSA-N 1 2 349.434 3.886 20 0 EHADLO O=C(Nc1ccc2sccc2c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001192444640 1135020123 /nfs/dbraw/zinc/02/01/23/1135020123.db2.gz LJHTUJRYKNCAOM-INIZCTEOSA-N 1 2 339.420 3.982 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001192636604 1135042548 /nfs/dbraw/zinc/04/25/48/1135042548.db2.gz VZBMYWJMMLOCPB-CQSZACIVSA-N 1 2 332.494 3.599 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001192636604 1135042551 /nfs/dbraw/zinc/04/25/51/1135042551.db2.gz VZBMYWJMMLOCPB-CQSZACIVSA-N 1 2 332.494 3.599 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccc([S@@](C)=O)cc1 ZINC001192813977 1135057673 /nfs/dbraw/zinc/05/76/73/1135057673.db2.gz FTLKLHHBIYRPAS-LADRHHBVSA-N 1 2 343.279 3.977 20 0 EHADLO C[NH+]1CCC(c2ccc(NC(=O)c3cc(F)c(O)cc3F)cc2)CC1 ZINC001192872857 1135061855 /nfs/dbraw/zinc/06/18/55/1135061855.db2.gz UNNGMXHHYJHDBY-UHFFFAOYSA-N 1 2 346.377 3.732 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804435638 1135068608 /nfs/dbraw/zinc/06/86/08/1135068608.db2.gz HEIQDPBWDXMTAU-BJLQDIEVSA-N 1 2 338.536 3.695 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC001193324673 1135125537 /nfs/dbraw/zinc/12/55/37/1135125537.db2.gz QBGFCRLEJOZLHP-QFBILLFUSA-N 1 2 327.399 3.838 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC001193324673 1135125541 /nfs/dbraw/zinc/12/55/41/1135125541.db2.gz QBGFCRLEJOZLHP-QFBILLFUSA-N 1 2 327.399 3.838 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc(Cl)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001129704732 1135140596 /nfs/dbraw/zinc/14/05/96/1135140596.db2.gz ZCMYLXLRAXIUQY-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc(Cl)cs2)CC[N@H+]1Cc1ccccc1 ZINC001129704732 1135140600 /nfs/dbraw/zinc/14/06/00/1135140600.db2.gz ZCMYLXLRAXIUQY-CYBMUJFWSA-N 1 2 334.872 3.748 20 0 EHADLO CC(C)c1csc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)n1 ZINC001193500834 1135147382 /nfs/dbraw/zinc/14/73/82/1135147382.db2.gz JURYXEFRWBFZIC-UHFFFAOYSA-N 1 2 339.424 3.558 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c[nH]2)cc1 ZINC001193774572 1135178381 /nfs/dbraw/zinc/17/83/81/1135178381.db2.gz LMACCJOAQYEASO-UHFFFAOYSA-N 1 2 334.423 3.733 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c[nH]2)cc1 ZINC001193774572 1135178386 /nfs/dbraw/zinc/17/83/86/1135178386.db2.gz LMACCJOAQYEASO-UHFFFAOYSA-N 1 2 334.423 3.733 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C)ccc2F)cc1 ZINC001193908527 1135203133 /nfs/dbraw/zinc/20/31/33/1135203133.db2.gz ZAQYTCYECQONMV-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)ccc2F)cc1 ZINC001193908527 1135203138 /nfs/dbraw/zinc/20/31/38/1135203138.db2.gz ZAQYTCYECQONMV-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)NCc3cc(C)[nH+]c(C)c3)c2)c1 ZINC001130043615 1135226293 /nfs/dbraw/zinc/22/62/93/1135226293.db2.gz VOZMHDDYNFXCAV-UHFFFAOYSA-N 1 2 331.419 3.999 20 0 EHADLO CCCOC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001194148013 1135234006 /nfs/dbraw/zinc/23/40/06/1135234006.db2.gz NFPDEPRHPUEGSB-UHFFFAOYSA-N 1 2 328.815 3.580 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cccc(Cl)c1 ZINC001203795873 1135278183 /nfs/dbraw/zinc/27/81/83/1135278183.db2.gz ABHNKGIHTMBPMF-UHFFFAOYSA-N 1 2 336.863 3.925 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cccc(Cl)c1 ZINC001203795873 1135278188 /nfs/dbraw/zinc/27/81/88/1135278188.db2.gz ABHNKGIHTMBPMF-UHFFFAOYSA-N 1 2 336.863 3.925 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2ccc3c(c2)OC(F)(F)O3)c(C)[nH+]1 ZINC001130251593 1135288987 /nfs/dbraw/zinc/28/89/87/1135288987.db2.gz BJZFPMSBHZDZFU-UHFFFAOYSA-N 1 2 348.349 3.601 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001194600558 1135291657 /nfs/dbraw/zinc/29/16/57/1135291657.db2.gz WFCWPMKXOGTAFU-CXAGYDPISA-N 1 2 326.843 3.683 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC001194600558 1135291661 /nfs/dbraw/zinc/29/16/61/1135291661.db2.gz WFCWPMKXOGTAFU-CXAGYDPISA-N 1 2 326.843 3.683 20 0 EHADLO CC[C@H](C)COC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001194786775 1135315874 /nfs/dbraw/zinc/31/58/74/1135315874.db2.gz LJYRFAZXEZUEIC-HNNXBMFYSA-N 1 2 327.428 3.540 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1Cl ZINC001194763321 1135319058 /nfs/dbraw/zinc/31/90/58/1135319058.db2.gz DFZAWDBEXHXQHJ-ZDUSSCGKSA-N 1 2 345.826 3.910 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1Cl ZINC001194763321 1135319060 /nfs/dbraw/zinc/31/90/60/1135319060.db2.gz DFZAWDBEXHXQHJ-ZDUSSCGKSA-N 1 2 345.826 3.910 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615485 1135329609 /nfs/dbraw/zinc/32/96/09/1135329609.db2.gz NMXVKIGSSXNFBH-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775615485 1135329615 /nfs/dbraw/zinc/32/96/15/1135329615.db2.gz NMXVKIGSSXNFBH-RTBURBONSA-N 1 2 349.833 3.760 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(CC(C)C)CC2)c1 ZINC001194865856 1135332529 /nfs/dbraw/zinc/33/25/29/1135332529.db2.gz ZVQVYXWOYQACSP-UHFFFAOYSA-N 1 2 330.472 3.976 20 0 EHADLO CN(CC/C=C/c1cccnc1)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194908778 1135339457 /nfs/dbraw/zinc/33/94/57/1135339457.db2.gz FTTABOLCYIRJBJ-XVNBXDOJSA-N 1 2 346.434 3.658 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccccc3F)CC2)cs1 ZINC000805860204 1135339954 /nfs/dbraw/zinc/33/99/54/1135339954.db2.gz BGAZKTBCVQSISS-UHFFFAOYSA-N 1 2 348.443 3.546 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CCCCC2)nc1-c1cccnc1 ZINC000101539139 1135349301 /nfs/dbraw/zinc/34/93/01/1135349301.db2.gz PLZCXBOCGQLZHG-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CCCCC2)nc1-c1cccnc1 ZINC000101539139 1135349311 /nfs/dbraw/zinc/34/93/11/1135349311.db2.gz PLZCXBOCGQLZHG-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Oc1ccccc1C(F)(F)F ZINC001195219946 1135396286 /nfs/dbraw/zinc/39/62/86/1135396286.db2.gz OARKNZQOFQFXRC-UHFFFAOYSA-N 1 2 339.317 3.601 20 0 EHADLO CCOc1ccc(C[N@@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)nc1 ZINC001195250290 1135398763 /nfs/dbraw/zinc/39/87/63/1135398763.db2.gz LJXZQCZEHYHLOF-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO CCOc1ccc(C[N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)nc1 ZINC001195250290 1135398768 /nfs/dbraw/zinc/39/87/68/1135398768.db2.gz LJXZQCZEHYHLOF-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001195299285 1135408611 /nfs/dbraw/zinc/40/86/11/1135408611.db2.gz MULHJXILQYQMFO-ZENOOKHLSA-N 1 2 331.378 3.628 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001195299285 1135408613 /nfs/dbraw/zinc/40/86/13/1135408613.db2.gz MULHJXILQYQMFO-ZENOOKHLSA-N 1 2 331.378 3.628 20 0 EHADLO CC[C@@H]1C[NH+](CCOc2ccccc2Br)C[C@@H](CC)O1 ZINC001195300370 1135408952 /nfs/dbraw/zinc/40/89/52/1135408952.db2.gz UQVHSGASAIFOJG-ZIAGYGMSSA-N 1 2 342.277 3.717 20 0 EHADLO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1O ZINC000775656228 1135425450 /nfs/dbraw/zinc/42/54/50/1135425450.db2.gz QCRXGSUCJKAITO-UHFFFAOYSA-N 1 2 344.842 3.571 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc3ccccc3n1)CC2 ZINC001195477919 1135431361 /nfs/dbraw/zinc/43/13/61/1135431361.db2.gz SHDPGYZDLOMLHM-UHFFFAOYSA-N 1 2 332.403 3.580 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc3ccccc3n1)CC2 ZINC001195477919 1135431363 /nfs/dbraw/zinc/43/13/63/1135431363.db2.gz SHDPGYZDLOMLHM-UHFFFAOYSA-N 1 2 332.403 3.580 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829902824 1135473188 /nfs/dbraw/zinc/47/31/88/1135473188.db2.gz RLIFAQCGNDJGSG-NHYWBVRUSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829902824 1135473191 /nfs/dbraw/zinc/47/31/91/1135473191.db2.gz RLIFAQCGNDJGSG-NHYWBVRUSA-N 1 2 343.302 3.896 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(F)c1Cl ZINC000806770097 1135487155 /nfs/dbraw/zinc/48/71/55/1135487155.db2.gz WPWLCORKOOMBTH-ZDUSSCGKSA-N 1 2 338.814 3.912 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(CC4(c5ccccc5)CC4)no3)cn2c1 ZINC000867140912 1135489409 /nfs/dbraw/zinc/48/94/09/1135489409.db2.gz XXSPXMNJOZXDTK-UHFFFAOYSA-N 1 2 348.381 3.722 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCc3c2cccc3Cl)c1C ZINC000775684366 1135505385 /nfs/dbraw/zinc/50/53/85/1135505385.db2.gz GMUCWBAPDMINQT-OAHLLOKOSA-N 1 2 344.842 3.707 20 0 EHADLO CCOC(=O)[C@@H]1c2ccoc2CC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC001196126232 1135518405 /nfs/dbraw/zinc/51/84/05/1135518405.db2.gz VNGWQXFERTWSCE-UZLBHIALSA-N 1 2 339.435 3.862 20 0 EHADLO CCOC(=O)[C@@H]1c2ccoc2CC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC001196126232 1135518406 /nfs/dbraw/zinc/51/84/06/1135518406.db2.gz VNGWQXFERTWSCE-UZLBHIALSA-N 1 2 339.435 3.862 20 0 EHADLO O=C1C[C@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)Oc2ccccc21 ZINC001196131960 1135519516 /nfs/dbraw/zinc/51/95/16/1135519516.db2.gz KMBORBJWHHHWBM-FQEVSTJZSA-N 1 2 343.373 3.965 20 0 EHADLO O=C1C[C@]2(CCC[N@H+](Cc3ccc(F)c(F)c3)C2)Oc2ccccc21 ZINC001196131960 1135519524 /nfs/dbraw/zinc/51/95/24/1135519524.db2.gz KMBORBJWHHHWBM-FQEVSTJZSA-N 1 2 343.373 3.965 20 0 EHADLO COc1ccccc1NC(=S)Nc1cccn2c(C)c(C)[nH+]c12 ZINC001196226160 1135534569 /nfs/dbraw/zinc/53/45/69/1135534569.db2.gz VWJZJIWEPXWRJD-UHFFFAOYSA-N 1 2 326.425 3.769 20 0 EHADLO CC/C(=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(OC)cc1 ZINC000747404089 1135552100 /nfs/dbraw/zinc/55/21/00/1135552100.db2.gz ZWPUUOBLDXUMIV-IYICPGQYSA-N 1 2 339.439 3.549 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C2(c3cccc(Cl)c3)CCC2)no1 ZINC000867177100 1135566020 /nfs/dbraw/zinc/56/60/20/1135566020.db2.gz CSESWNXSFUFUNE-UHFFFAOYSA-N 1 2 328.803 3.517 20 0 EHADLO CCCCn1c(SCOC2CCC2)nnc1[C@H](CC)[NH+](C)C ZINC000808011607 1135598084 /nfs/dbraw/zinc/59/80/84/1135598084.db2.gz RSWFFRSWFRUBDG-AWEZNQCLSA-N 1 2 326.510 3.710 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(=O)c3ccc(F)cc3o2)c(C)[nH+]1 ZINC000808072193 1135612220 /nfs/dbraw/zinc/61/22/20/1135612220.db2.gz BKYUVSLXZWIBIV-UHFFFAOYSA-N 1 2 326.327 3.505 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808135913 1135621242 /nfs/dbraw/zinc/62/12/42/1135621242.db2.gz WZJGFBNYIGEILY-QGZVFWFLSA-N 1 2 343.858 3.734 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808135913 1135621244 /nfs/dbraw/zinc/62/12/44/1135621244.db2.gz WZJGFBNYIGEILY-QGZVFWFLSA-N 1 2 343.858 3.734 20 0 EHADLO CC1(C)C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccncc1 ZINC000808139017 1135622858 /nfs/dbraw/zinc/62/28/58/1135622858.db2.gz ONNADLBGWJRJER-QGZVFWFLSA-N 1 2 341.480 3.675 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccncc1 ZINC000808139017 1135622860 /nfs/dbraw/zinc/62/28/60/1135622860.db2.gz ONNADLBGWJRJER-QGZVFWFLSA-N 1 2 341.480 3.675 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)CN1CCN(c2ccccc2)C1=O ZINC000808183511 1135627241 /nfs/dbraw/zinc/62/72/41/1135627241.db2.gz XCDUVCVNZBTQLT-UHFFFAOYSA-N 1 2 347.821 3.811 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)CN1CCN(c2ccccc2)C1=O ZINC000808183511 1135627242 /nfs/dbraw/zinc/62/72/42/1135627242.db2.gz XCDUVCVNZBTQLT-UHFFFAOYSA-N 1 2 347.821 3.811 20 0 EHADLO Clc1ccnc(CNc2cc[nH+]c(OCc3ccccc3)c2)n1 ZINC001170545665 1135628835 /nfs/dbraw/zinc/62/88/35/1135628835.db2.gz FZHKUKVELTVMAU-UHFFFAOYSA-N 1 2 326.787 3.716 20 0 EHADLO S=c1oc(Cc2cccs2)nn1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808229997 1135633173 /nfs/dbraw/zinc/63/31/73/1135633173.db2.gz FCUXROGCDUXVGX-ZDUSSCGKSA-N 1 2 335.498 3.937 20 0 EHADLO S=c1oc(Cc2cccs2)nn1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808229997 1135633177 /nfs/dbraw/zinc/63/31/77/1135633177.db2.gz FCUXROGCDUXVGX-ZDUSSCGKSA-N 1 2 335.498 3.937 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(C)(CC(C)C)CC2)n1 ZINC000808231473 1135638499 /nfs/dbraw/zinc/63/84/99/1135638499.db2.gz IMLNBYRVXQYVCO-UHFFFAOYSA-N 1 2 347.532 3.983 20 0 EHADLO CC1(C)C[N@H+](CN2C(=O)C[C@H]2c2ccccc2)Cc2ccccc2O1 ZINC000808236746 1135639251 /nfs/dbraw/zinc/63/92/51/1135639251.db2.gz LXVPTRMNCUBYCE-SFHVURJKSA-N 1 2 336.435 3.591 20 0 EHADLO CC1(C)C[N@@H+](CN2C(=O)C[C@H]2c2ccccc2)Cc2ccccc2O1 ZINC000808236746 1135639252 /nfs/dbraw/zinc/63/92/52/1135639252.db2.gz LXVPTRMNCUBYCE-SFHVURJKSA-N 1 2 336.435 3.591 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012875 1135640407 /nfs/dbraw/zinc/64/04/07/1135640407.db2.gz JJBPQKXNTWOBQZ-ICSRJNTNSA-N 1 2 327.399 3.895 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012875 1135640409 /nfs/dbraw/zinc/64/04/09/1135640409.db2.gz JJBPQKXNTWOBQZ-ICSRJNTNSA-N 1 2 327.399 3.895 20 0 EHADLO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001197092853 1135644586 /nfs/dbraw/zinc/64/45/86/1135644586.db2.gz RDWITCFLMKTUNA-MRXNPFEDSA-N 1 2 344.455 3.677 20 0 EHADLO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001197092853 1135644589 /nfs/dbraw/zinc/64/45/89/1135644589.db2.gz RDWITCFLMKTUNA-MRXNPFEDSA-N 1 2 344.455 3.677 20 0 EHADLO O=[S@](CC[N@H+]1CCC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078360 1135647623 /nfs/dbraw/zinc/64/76/23/1135647623.db2.gz WIWMSMNFFMBREN-AUSIDOKSSA-N 1 2 331.456 3.755 20 0 EHADLO O=[S@](CC[N@@H+]1CCC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078360 1135647624 /nfs/dbraw/zinc/64/76/24/1135647624.db2.gz WIWMSMNFFMBREN-AUSIDOKSSA-N 1 2 331.456 3.755 20 0 EHADLO O=[S@@](CC[N@H+]1CCC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078364 1135648061 /nfs/dbraw/zinc/64/80/61/1135648061.db2.gz WIWMSMNFFMBREN-XXBNENTESA-N 1 2 331.456 3.755 20 0 EHADLO O=[S@@](CC[N@@H+]1CCC[C@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078364 1135648062 /nfs/dbraw/zinc/64/80/62/1135648062.db2.gz WIWMSMNFFMBREN-XXBNENTESA-N 1 2 331.456 3.755 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnnn2-c2ccccc2)cc1F ZINC000808726664 1135723581 /nfs/dbraw/zinc/72/35/81/1135723581.db2.gz KHBNPGVHOYVLBO-LJQANCHMSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnnn2-c2ccccc2)cc1F ZINC000808726664 1135723582 /nfs/dbraw/zinc/72/35/82/1135723582.db2.gz KHBNPGVHOYVLBO-LJQANCHMSA-N 1 2 340.377 3.883 20 0 EHADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC001197738337 1135732582 /nfs/dbraw/zinc/73/25/82/1135732582.db2.gz GZEYCMJNPGFPNL-MBNYWOFBSA-N 1 2 328.239 3.624 20 0 EHADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC001197738337 1135732587 /nfs/dbraw/zinc/73/25/87/1135732587.db2.gz GZEYCMJNPGFPNL-MBNYWOFBSA-N 1 2 328.239 3.624 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccsc1Cl)c1ccccc1 ZINC001131587332 1135793363 /nfs/dbraw/zinc/79/33/63/1135793363.db2.gz RFJOLXNXLTZNNN-AWEZNQCLSA-N 1 2 345.855 3.849 20 0 EHADLO Nc1cccc(C[N@@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001198319459 1135799752 /nfs/dbraw/zinc/79/97/52/1135799752.db2.gz UQLQMZRIVZPNEC-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc(C[N@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001198319459 1135799754 /nfs/dbraw/zinc/79/97/54/1135799754.db2.gz UQLQMZRIVZPNEC-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO O=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc2[nH+]ccn21 ZINC000809356622 1135825217 /nfs/dbraw/zinc/82/52/17/1135825217.db2.gz ROHASJTVXHDDQJ-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC ZINC001170579588 1135838032 /nfs/dbraw/zinc/83/80/32/1135838032.db2.gz VGRAPCDDQMMDSV-CVEARBPZSA-N 1 2 343.508 3.989 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001198696217 1135844288 /nfs/dbraw/zinc/84/42/88/1135844288.db2.gz BHNQKVXRXGZLGD-FQEVSTJZSA-N 1 2 345.446 3.532 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001198696217 1135844293 /nfs/dbraw/zinc/84/42/93/1135844293.db2.gz BHNQKVXRXGZLGD-FQEVSTJZSA-N 1 2 345.446 3.532 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2)c1 ZINC001131737167 1135846145 /nfs/dbraw/zinc/84/61/45/1135846145.db2.gz KRDRYNZMDDNCFL-QGZVFWFLSA-N 1 2 346.515 3.802 20 0 EHADLO CC[C@@H]1CCC[C@]1(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131737163 1135846167 /nfs/dbraw/zinc/84/61/67/1135846167.db2.gz KOCKCCOZXAZMTL-NQIIRXRSSA-N 1 2 344.499 3.556 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c(C)c1OC ZINC000809582376 1135853479 /nfs/dbraw/zinc/85/34/79/1135853479.db2.gz XKSFOANVXRYBKX-HNAYVOBHSA-N 1 2 341.451 3.974 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c(C)c1OC ZINC000809582376 1135853483 /nfs/dbraw/zinc/85/34/83/1135853483.db2.gz XKSFOANVXRYBKX-HNAYVOBHSA-N 1 2 341.451 3.974 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)n1 ZINC001198800302 1135858432 /nfs/dbraw/zinc/85/84/32/1135858432.db2.gz JZFQYUTTYSJORG-QGZVFWFLSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)n1 ZINC001198800302 1135858436 /nfs/dbraw/zinc/85/84/36/1135858436.db2.gz JZFQYUTTYSJORG-QGZVFWFLSA-N 1 2 343.471 3.606 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000809711550 1135875576 /nfs/dbraw/zinc/87/55/76/1135875576.db2.gz YMQCZBZTCSTDDI-INIZCTEOSA-N 1 2 328.412 3.604 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000809711550 1135875579 /nfs/dbraw/zinc/87/55/79/1135875579.db2.gz YMQCZBZTCSTDDI-INIZCTEOSA-N 1 2 328.412 3.604 20 0 EHADLO CCOc1c(Cl)cccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001199067774 1135877368 /nfs/dbraw/zinc/87/73/68/1135877368.db2.gz OUFUDZMZCZPWFQ-ZDUSSCGKSA-N 1 2 348.834 3.804 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)cnc1Cl ZINC000809721383 1135878091 /nfs/dbraw/zinc/87/80/91/1135878091.db2.gz XKEYZLAPMMAUAY-HNNXBMFYSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)cnc1Cl ZINC000809721383 1135878094 /nfs/dbraw/zinc/87/80/94/1135878094.db2.gz XKEYZLAPMMAUAY-HNNXBMFYSA-N 1 2 339.867 3.533 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cscc1Cl ZINC000809771174 1135880686 /nfs/dbraw/zinc/88/06/86/1135880686.db2.gz FYCMSAFBHYXMAK-GWCFXTLKSA-N 1 2 330.881 3.889 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cscc1Cl ZINC000809771174 1135880689 /nfs/dbraw/zinc/88/06/89/1135880689.db2.gz FYCMSAFBHYXMAK-GWCFXTLKSA-N 1 2 330.881 3.889 20 0 EHADLO Clc1ncccc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762657 1135887745 /nfs/dbraw/zinc/88/77/45/1135887745.db2.gz WIDAKKFGTSKRJR-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO Clc1ncccc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762657 1135887750 /nfs/dbraw/zinc/88/77/50/1135887750.db2.gz WIDAKKFGTSKRJR-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cnc(Cl)c(Cl)c1Cl ZINC001199330784 1135898497 /nfs/dbraw/zinc/89/84/97/1135898497.db2.gz ALEMNPXNAUDUDH-UHFFFAOYSA-N 1 2 342.613 3.600 20 0 EHADLO COCCc1nc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)no1 ZINC000809969041 1135904985 /nfs/dbraw/zinc/90/49/85/1135904985.db2.gz MDCVJZAZYAWQIQ-IBGZPJMESA-N 1 2 329.444 3.670 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000775980302 1135908351 /nfs/dbraw/zinc/90/83/51/1135908351.db2.gz PCUBPWRKJXUKGY-NEPJUHHUSA-N 1 2 348.413 3.574 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810132182 1135925503 /nfs/dbraw/zinc/92/55/03/1135925503.db2.gz JGDMRSITNWCSKE-UONOGXRCSA-N 1 2 342.443 3.561 20 0 EHADLO Cc1cncnc1OC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001137963590 1135939557 /nfs/dbraw/zinc/93/95/57/1135939557.db2.gz PUEBRNPACWDFOI-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2cc[nH]c21 ZINC000776063936 1135947010 /nfs/dbraw/zinc/94/70/10/1135947010.db2.gz ZZFSAIXCLMZGRP-HNNXBMFYSA-N 1 2 325.416 3.601 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001273845349 1135954862 /nfs/dbraw/zinc/95/48/62/1135954862.db2.gz FPQNKOMRVMDYBI-ZIAGYGMSSA-N 1 2 331.847 3.968 20 0 EHADLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1 ZINC000810550813 1135971506 /nfs/dbraw/zinc/97/15/06/1135971506.db2.gz DYNOHAHUDGQPLL-OAHLLOKOSA-N 1 2 338.382 3.917 20 0 EHADLO S=C(NCCOc1cc[nH+]cc1)Nc1cc(Cl)ccc1Cl ZINC001201093779 1135982610 /nfs/dbraw/zinc/98/26/10/1135982610.db2.gz NELHSEMMUJLQAI-UHFFFAOYSA-N 1 2 342.251 3.754 20 0 EHADLO CCc1ccccc1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001201144304 1135988286 /nfs/dbraw/zinc/98/82/86/1135988286.db2.gz BQDBECVEBJJVEI-QGZVFWFLSA-N 1 2 341.480 3.884 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000776175299 1136021891 /nfs/dbraw/zinc/02/18/91/1136021891.db2.gz KTBAUJMBUPZYKT-AWEZNQCLSA-N 1 2 331.284 3.807 20 0 EHADLO COC(=O)c1scc(Nc2ccc([NH2+]C(C)C)cc2)c1C(=O)OC ZINC001201489474 1136027809 /nfs/dbraw/zinc/02/78/09/1136027809.db2.gz PMPHRJQQAANASM-UHFFFAOYSA-N 1 2 348.424 3.885 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001132624253 1136046893 /nfs/dbraw/zinc/04/68/93/1136046893.db2.gz VDXSNCHCKCDFKX-INIZCTEOSA-N 1 2 335.234 3.910 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001132624253 1136046897 /nfs/dbraw/zinc/04/68/97/1136046897.db2.gz VDXSNCHCKCDFKX-INIZCTEOSA-N 1 2 335.234 3.910 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)s1 ZINC001201920175 1136074684 /nfs/dbraw/zinc/07/46/84/1136074684.db2.gz MXUWCOAKQXDDME-LLVKDONJSA-N 1 2 347.875 3.596 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)Nc1ccccc1Br ZINC001201968596 1136079613 /nfs/dbraw/zinc/07/96/13/1136079613.db2.gz YNSUVNZZEXFCEO-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO Cc1cccc(O[C@@H](C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815847 1136087737 /nfs/dbraw/zinc/08/77/37/1136087737.db2.gz VIYGVOIWVPPUBN-FXAWDEMLSA-N 1 2 349.434 3.517 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ccncc2c1 ZINC001132815903 1136088527 /nfs/dbraw/zinc/08/85/27/1136088527.db2.gz WKARHGSREIOWHD-HXUWFJFHSA-N 1 2 342.402 3.603 20 0 EHADLO Brc1c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)nc2ccccn12 ZINC000811513266 1136103326 /nfs/dbraw/zinc/10/33/26/1136103326.db2.gz FLUMFFAOKNJWBZ-OAHLLOKOSA-N 1 2 346.272 3.861 20 0 EHADLO Brc1c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)nc2ccccn12 ZINC000811513266 1136103327 /nfs/dbraw/zinc/10/33/27/1136103327.db2.gz FLUMFFAOKNJWBZ-OAHLLOKOSA-N 1 2 346.272 3.861 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1F)Nc1cccc(F)c1 ZINC001202235285 1136117893 /nfs/dbraw/zinc/11/78/93/1136117893.db2.gz SLIKUCFDPDXFQH-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCCCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811748954 1136129366 /nfs/dbraw/zinc/12/93/66/1136129366.db2.gz PSMMJZYEKCYGKQ-QGZVFWFLSA-N 1 2 325.456 3.749 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCCCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811748954 1136129368 /nfs/dbraw/zinc/12/93/68/1136129368.db2.gz PSMMJZYEKCYGKQ-QGZVFWFLSA-N 1 2 325.456 3.749 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811730310 1136131511 /nfs/dbraw/zinc/13/15/11/1136131511.db2.gz IRFQVFUCAOTLLH-DOTOQJQBSA-N 1 2 340.492 3.716 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811730310 1136131513 /nfs/dbraw/zinc/13/15/13/1136131513.db2.gz IRFQVFUCAOTLLH-DOTOQJQBSA-N 1 2 340.492 3.716 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(N(C)C)[nH+]1 ZINC001202397736 1136142343 /nfs/dbraw/zinc/14/23/43/1136142343.db2.gz WMEVPDUSALETNZ-HRCADAONSA-N 1 2 330.476 3.936 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CCCOC3)c(=S)o2)cc1C ZINC000107671011 1136175469 /nfs/dbraw/zinc/17/54/69/1136175469.db2.gz BIIFISZFIAQLAP-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CCCOC3)c(=S)o2)cc1C ZINC000107671011 1136175472 /nfs/dbraw/zinc/17/54/72/1136175472.db2.gz BIIFISZFIAQLAP-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1cncc(C(F)(F)F)c1 ZINC000812304932 1136193441 /nfs/dbraw/zinc/19/34/41/1136193441.db2.gz WBAXHINQUDUSEO-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1CC2(CC2(F)F)C1 ZINC000849981632 1136195719 /nfs/dbraw/zinc/19/57/19/1136195719.db2.gz KZGUNSVUNPGMBG-UHFFFAOYSA-N 1 2 332.350 3.659 20 0 EHADLO COCC[N@H+](Cn1nc(C)n(-c2ccccc2)c1=S)C1CCCC1 ZINC000747790997 1136211381 /nfs/dbraw/zinc/21/13/81/1136211381.db2.gz GJXAVLCYZQQPAJ-UHFFFAOYSA-N 1 2 346.500 3.560 20 0 EHADLO COCC[N@@H+](Cn1nc(C)n(-c2ccccc2)c1=S)C1CCCC1 ZINC000747790997 1136211384 /nfs/dbraw/zinc/21/13/84/1136211384.db2.gz GJXAVLCYZQQPAJ-UHFFFAOYSA-N 1 2 346.500 3.560 20 0 EHADLO Cn1cnn(C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1=S ZINC000747813607 1136240360 /nfs/dbraw/zinc/24/03/60/1136240360.db2.gz YMIOVVOLZVCOBX-QGZVFWFLSA-N 1 2 330.501 3.643 20 0 EHADLO Cn1cnn(C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1=S ZINC000747813607 1136240364 /nfs/dbraw/zinc/24/03/64/1136240364.db2.gz YMIOVVOLZVCOBX-QGZVFWFLSA-N 1 2 330.501 3.643 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000812786109 1136247232 /nfs/dbraw/zinc/24/72/32/1136247232.db2.gz CPRSEBDLOJWEGX-CYBMUJFWSA-N 1 2 335.391 3.536 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000812786109 1136247233 /nfs/dbraw/zinc/24/72/33/1136247233.db2.gz CPRSEBDLOJWEGX-CYBMUJFWSA-N 1 2 335.391 3.536 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)o1 ZINC000812902096 1136270729 /nfs/dbraw/zinc/27/07/29/1136270729.db2.gz GFWGGXPDVFGGBG-CQSZACIVSA-N 1 2 342.443 3.569 20 0 EHADLO CCCc1csc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000776482020 1136296092 /nfs/dbraw/zinc/29/60/92/1136296092.db2.gz ONRFZCOOXBKFHK-ZDUSSCGKSA-N 1 2 335.477 3.529 20 0 EHADLO Cc1csc(C2([NH2+][C@H](C)c3cnnn3-c3ccccc3)CCC2)n1 ZINC000813327579 1136322764 /nfs/dbraw/zinc/32/27/64/1136322764.db2.gz FXMPGVIJYGTLKK-CQSZACIVSA-N 1 2 339.468 3.762 20 0 EHADLO FC(F)(F)C1(c2ccc(NCc3cccc4ccnn43)[nH+]c2)CC1 ZINC001170705922 1136330900 /nfs/dbraw/zinc/33/09/00/1136330900.db2.gz KVNBQOCAWKOQDY-UHFFFAOYSA-N 1 2 332.329 3.935 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC001170711610 1136358657 /nfs/dbraw/zinc/35/86/57/1136358657.db2.gz OGLMWHULHWSYKD-LLVKDONJSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1ccc(Br)c2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC001170711610 1136358658 /nfs/dbraw/zinc/35/86/58/1136358658.db2.gz OGLMWHULHWSYKD-LLVKDONJSA-N 1 2 328.225 3.515 20 0 EHADLO O=C(CCc1ccc(F)cc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398626 1136376255 /nfs/dbraw/zinc/37/62/55/1136376255.db2.gz VTYHTMSHMWTZKN-UHFFFAOYSA-N 1 2 342.414 3.613 20 0 EHADLO C/C(=C/c1ccco1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401472 1136376688 /nfs/dbraw/zinc/37/66/88/1136376688.db2.gz MMHMGTRZYULTKW-SQFISAMPSA-N 1 2 326.396 3.538 20 0 EHADLO CCC(CC)n1nc(C(=O)OCc2cccc3[nH+]ccn32)cc1C ZINC000776535107 1136398876 /nfs/dbraw/zinc/39/88/76/1136398876.db2.gz ZLMVKGCEPXKIEF-UHFFFAOYSA-N 1 2 326.400 3.557 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000110191987 1136404942 /nfs/dbraw/zinc/40/49/42/1136404942.db2.gz PTYYSEYAMFXIBM-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000110191987 1136404944 /nfs/dbraw/zinc/40/49/44/1136404944.db2.gz PTYYSEYAMFXIBM-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(F)F)cc1 ZINC000814111136 1136405383 /nfs/dbraw/zinc/40/53/83/1136405383.db2.gz QLXXDEFQZGDGPG-HNNXBMFYSA-N 1 2 335.398 3.840 20 0 EHADLO C[C@H](Nc1cc2c(c[nH+]1)OCC(=O)N2)c1ccccc1C(F)(F)F ZINC001170735853 1136429994 /nfs/dbraw/zinc/42/99/94/1136429994.db2.gz XJSYFQPRLLNYEZ-VIFPVBQESA-N 1 2 337.301 3.604 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)ccc1Cl ZINC000814312983 1136435772 /nfs/dbraw/zinc/43/57/72/1136435772.db2.gz QSPUPUKOOJZMPE-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000814373843 1136446725 /nfs/dbraw/zinc/44/67/25/1136446725.db2.gz XBTSNDCZCCZSII-SJORKVTESA-N 1 2 345.487 3.945 20 0 EHADLO C[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@@]1=O ZINC000338950507 1136474317 /nfs/dbraw/zinc/47/43/17/1136474317.db2.gz YEXHRQXXOHEMAI-SHACYNPGSA-N 1 2 349.446 3.550 20 0 EHADLO C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@@]1=O ZINC000338950507 1136474321 /nfs/dbraw/zinc/47/43/21/1136474321.db2.gz YEXHRQXXOHEMAI-SHACYNPGSA-N 1 2 349.446 3.550 20 0 EHADLO CN(CCC[NH2+][C@H](c1ccccc1)C(F)F)C(=O)OC(C)(C)C ZINC000814650004 1136485517 /nfs/dbraw/zinc/48/55/17/1136485517.db2.gz BCZVWSIXPORLCQ-CQSZACIVSA-N 1 2 328.403 3.839 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCOC2=O)cc1 ZINC000814659790 1136487087 /nfs/dbraw/zinc/48/70/87/1136487087.db2.gz APNVZMZWJMKBHA-ZDUSSCGKSA-N 1 2 341.411 3.750 20 0 EHADLO CCc1oc(C[NH2+]Cc2c(Cl)cccc2OC)cc1C(=O)OC ZINC000338953281 1136490304 /nfs/dbraw/zinc/49/03/04/1136490304.db2.gz KGWFQHHVZHWERM-UHFFFAOYSA-N 1 2 337.803 3.580 20 0 EHADLO ClC1(c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000853001581 1136496794 /nfs/dbraw/zinc/49/67/94/1136496794.db2.gz UWNYWWCSIOHKCM-AWEZNQCLSA-N 1 2 334.872 3.945 20 0 EHADLO ClC1(c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000853001581 1136496800 /nfs/dbraw/zinc/49/68/00/1136496800.db2.gz UWNYWWCSIOHKCM-AWEZNQCLSA-N 1 2 334.872 3.945 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C3OCCO3)cs2)cc1 ZINC000111110660 1136511839 /nfs/dbraw/zinc/51/18/39/1136511839.db2.gz WNVDETUYMGVTOG-INIZCTEOSA-N 1 2 348.443 3.677 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C3OCCO3)cs2)cc1 ZINC000111110660 1136511841 /nfs/dbraw/zinc/51/18/41/1136511841.db2.gz WNVDETUYMGVTOG-INIZCTEOSA-N 1 2 348.443 3.677 20 0 EHADLO CC(C)c1ccc2ncnc(N3CCC([N@H+](C)CC(F)F)CC3)c2c1 ZINC000853412692 1136531671 /nfs/dbraw/zinc/53/16/71/1136531671.db2.gz FLZIUFWSZUTBSX-UHFFFAOYSA-N 1 2 348.441 3.919 20 0 EHADLO CC(C)c1ccc2ncnc(N3CCC([N@@H+](C)CC(F)F)CC3)c2c1 ZINC000853412692 1136531672 /nfs/dbraw/zinc/53/16/72/1136531672.db2.gz FLZIUFWSZUTBSX-UHFFFAOYSA-N 1 2 348.441 3.919 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cn1ncc2ccccc2c1=O ZINC000853521663 1136540449 /nfs/dbraw/zinc/54/04/49/1136540449.db2.gz FCKAGPHAJFUADT-IBGZPJMESA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cn1ncc2ccccc2c1=O ZINC000853521663 1136540452 /nfs/dbraw/zinc/54/04/52/1136540452.db2.gz FCKAGPHAJFUADT-IBGZPJMESA-N 1 2 333.435 3.808 20 0 EHADLO COc1ccccc1Nc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(=S)s1 ZINC000853581401 1136546252 /nfs/dbraw/zinc/54/62/52/1136546252.db2.gz ULCZGPLVOJAWLK-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO COc1ccccc1Nc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(=S)s1 ZINC000853581401 1136546254 /nfs/dbraw/zinc/54/62/54/1136546254.db2.gz ULCZGPLVOJAWLK-VXGBXAGGSA-N 1 2 348.497 3.726 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000815152707 1136558056 /nfs/dbraw/zinc/55/80/56/1136558056.db2.gz SPKPLCNXJNXNCP-UHFFFAOYSA-N 1 2 327.733 3.982 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000854041079 1136582991 /nfs/dbraw/zinc/58/29/91/1136582991.db2.gz JXWYSYIKETUDAW-VQTJNVASSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000854041079 1136582995 /nfs/dbraw/zinc/58/29/95/1136582995.db2.gz JXWYSYIKETUDAW-VQTJNVASSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1cccnc1 ZINC000854042008 1136583050 /nfs/dbraw/zinc/58/30/50/1136583050.db2.gz UQOZNOLDFOLVDY-QZTJIDSGSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1cccnc1 ZINC000854042008 1136583054 /nfs/dbraw/zinc/58/30/54/1136583054.db2.gz UQOZNOLDFOLVDY-QZTJIDSGSA-N 1 2 343.471 3.618 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000854155131 1136593644 /nfs/dbraw/zinc/59/36/44/1136593644.db2.gz GONMSZFDWYDIRI-NWDGAFQWSA-N 1 2 347.312 3.572 20 0 EHADLO CCC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3[nH]cc[nH+]3)sc2C1 ZINC000854453267 1136617735 /nfs/dbraw/zinc/61/77/35/1136617735.db2.gz NLMOLVBGFWQUQL-LLVKDONJSA-N 1 2 332.473 3.589 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)c[nH+]1 ZINC000854887384 1136650289 /nfs/dbraw/zinc/65/02/89/1136650289.db2.gz QHMLEZSWZQJPOT-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO CC(C)C(=O)Nc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000112931232 1136661676 /nfs/dbraw/zinc/66/16/76/1136661676.db2.gz PLODUIYBDRJFIQ-UHFFFAOYSA-N 1 2 349.390 3.686 20 0 EHADLO Cn1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)n1 ZINC000543705600 1136679047 /nfs/dbraw/zinc/67/90/47/1136679047.db2.gz NWKPNRPOUOPXKC-GOSISDBHSA-N 1 2 343.377 3.901 20 0 EHADLO Cc1ccc2nc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000338973050 1136695210 /nfs/dbraw/zinc/69/52/10/1136695210.db2.gz PZGCEOYSTFLMKF-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO C[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000805615725 1136703897 /nfs/dbraw/zinc/70/38/97/1136703897.db2.gz HLFAZOUZAXYHBV-HILYYZTDSA-N 1 2 347.499 3.578 20 0 EHADLO Cc1cc(Br)cc(C)c1NC(=O)c1cccc2[nH+]ccn21 ZINC000776825471 1136715117 /nfs/dbraw/zinc/71/51/17/1136715117.db2.gz ZDBRGIYDUUGGEN-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCCOCC1 ZINC001170824817 1136718377 /nfs/dbraw/zinc/71/83/77/1136718377.db2.gz YFJIBQHSMYJUIT-SJLPKXTDSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCCOCC1 ZINC001170824817 1136718380 /nfs/dbraw/zinc/71/83/80/1136718380.db2.gz YFJIBQHSMYJUIT-SJLPKXTDSA-N 1 2 347.503 3.536 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1Cl)Cc1cccc(Br)c1 ZINC000816487147 1136724229 /nfs/dbraw/zinc/72/42/29/1136724229.db2.gz FALULIDKXIINFS-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1Cl)Cc1cccc(Br)c1 ZINC000816487147 1136724232 /nfs/dbraw/zinc/72/42/32/1136724232.db2.gz FALULIDKXIINFS-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000816521193 1136727335 /nfs/dbraw/zinc/72/73/35/1136727335.db2.gz JPEIICVNNAZXST-WOJBJXKFSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000816521193 1136727339 /nfs/dbraw/zinc/72/73/39/1136727339.db2.gz JPEIICVNNAZXST-WOJBJXKFSA-N 1 2 345.870 3.973 20 0 EHADLO C[C@H](O)[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCc1ccccc1 ZINC000816626323 1136739247 /nfs/dbraw/zinc/73/92/47/1136739247.db2.gz DQDISRPMELGCQZ-LPHOPBHVSA-N 1 2 345.483 3.572 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000816609939 1136740723 /nfs/dbraw/zinc/74/07/23/1136740723.db2.gz SJYGKNOVHGBPLV-AWEZNQCLSA-N 1 2 340.851 3.535 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609939 1136740726 /nfs/dbraw/zinc/74/07/26/1136740726.db2.gz SJYGKNOVHGBPLV-AWEZNQCLSA-N 1 2 340.851 3.535 20 0 EHADLO Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccc1NC(=O)OC(C)(C)C ZINC000856373023 1136782115 /nfs/dbraw/zinc/78/21/15/1136782115.db2.gz WIHCTBLXFUCZRU-UHFFFAOYSA-N 1 2 347.459 3.622 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[C@@H]3C)CC2)cc1 ZINC001135844445 1136786428 /nfs/dbraw/zinc/78/64/28/1136786428.db2.gz ZWMMJQNYKWFWIH-PKOBYXMFSA-N 1 2 344.499 3.556 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000817274186 1136793082 /nfs/dbraw/zinc/79/30/82/1136793082.db2.gz FPDFUGOJFGOCFQ-CJNGLKHVSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000817274186 1136793083 /nfs/dbraw/zinc/79/30/83/1136793083.db2.gz FPDFUGOJFGOCFQ-CJNGLKHVSA-N 1 2 337.851 3.535 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000817278457 1136793599 /nfs/dbraw/zinc/79/35/99/1136793599.db2.gz BQGCKNFEINUWMN-QWRGUYRKSA-N 1 2 330.881 3.739 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cnc(Cl)s1 ZINC000817278457 1136793601 /nfs/dbraw/zinc/79/36/01/1136793601.db2.gz BQGCKNFEINUWMN-QWRGUYRKSA-N 1 2 330.881 3.739 20 0 EHADLO C/C(=C\C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000856775137 1136809825 /nfs/dbraw/zinc/80/98/25/1136809825.db2.gz FSNOEEFVIPLAGT-FYWRMAATSA-N 1 2 342.464 3.622 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779388 1136810987 /nfs/dbraw/zinc/81/09/87/1136810987.db2.gz XGFRUUWUIUNJIG-BDAKNGLRSA-N 1 2 330.741 3.956 20 0 EHADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000856802618 1136812687 /nfs/dbraw/zinc/81/26/87/1136812687.db2.gz TWIQEGPKLPPHNC-INIZCTEOSA-N 1 2 346.496 3.705 20 0 EHADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000856802618 1136812690 /nfs/dbraw/zinc/81/26/90/1136812690.db2.gz TWIQEGPKLPPHNC-INIZCTEOSA-N 1 2 346.496 3.705 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3F)CCN1C(=O)OC(C)(C)C ZINC001137051666 1136825228 /nfs/dbraw/zinc/82/52/28/1136825228.db2.gz ZMCMASAJCQZXSQ-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCN1C(=O)OC(C)(C)C ZINC001137051666 1136825230 /nfs/dbraw/zinc/82/52/30/1136825230.db2.gz ZMCMASAJCQZXSQ-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO C/C(=C/C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000857028131 1136834461 /nfs/dbraw/zinc/83/44/61/1136834461.db2.gz KNZAGBICQAMYTP-QINSGFPZSA-N 1 2 342.464 3.622 20 0 EHADLO CC(=O)N1CC[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)c2ccccc21 ZINC000857080684 1136842638 /nfs/dbraw/zinc/84/26/38/1136842638.db2.gz WZVYDVUYIXHRSM-IBGZPJMESA-N 1 2 335.451 3.979 20 0 EHADLO CC(=O)N1CC[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)c2ccccc21 ZINC000857080684 1136842640 /nfs/dbraw/zinc/84/26/40/1136842640.db2.gz WZVYDVUYIXHRSM-IBGZPJMESA-N 1 2 335.451 3.979 20 0 EHADLO Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001136135020 1136870759 /nfs/dbraw/zinc/87/07/59/1136870759.db2.gz MVURDYAUJPHWAS-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)n1 ZINC000818343515 1136872861 /nfs/dbraw/zinc/87/28/61/1136872861.db2.gz CBWJZKMEFZFPSX-HNNXBMFYSA-N 1 2 334.851 3.572 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)n1 ZINC000818344207 1136873415 /nfs/dbraw/zinc/87/34/15/1136873415.db2.gz KPTFUDJMBYCJPI-KRWDZBQOSA-N 1 2 328.460 3.733 20 0 EHADLO CC[N@H+](CC(=O)N(CC(F)(F)F)C1CC1)Cc1ccccc1Cl ZINC000857509224 1136878483 /nfs/dbraw/zinc/87/84/83/1136878483.db2.gz FGVRGXWGVPEAHV-UHFFFAOYSA-N 1 2 348.796 3.715 20 0 EHADLO CC[N@@H+](CC(=O)N(CC(F)(F)F)C1CC1)Cc1ccccc1Cl ZINC000857509224 1136878486 /nfs/dbraw/zinc/87/84/86/1136878486.db2.gz FGVRGXWGVPEAHV-UHFFFAOYSA-N 1 2 348.796 3.715 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983100 1136927169 /nfs/dbraw/zinc/92/71/69/1136927169.db2.gz WOYWNZXQNIEYJE-ZDUSSCGKSA-N 1 2 330.457 3.571 20 0 EHADLO Cc1ccc(SC2(C(=O)N[C@@H]3CCn4c[nH+]cc43)CCCC2)cc1 ZINC000857986357 1136927593 /nfs/dbraw/zinc/92/75/93/1136927593.db2.gz MRGWBYUPWAYFPY-MRXNPFEDSA-N 1 2 341.480 3.858 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000858036643 1136934182 /nfs/dbraw/zinc/93/41/82/1136934182.db2.gz PVNMAZVZWCBOLA-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000858036643 1136934185 /nfs/dbraw/zinc/93/41/85/1136934185.db2.gz PVNMAZVZWCBOLA-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)COc1ccccc1Cl ZINC000819409327 1136937130 /nfs/dbraw/zinc/93/71/30/1136937130.db2.gz ROYKDPXADQXPGX-HNNXBMFYSA-N 1 2 334.847 3.566 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(F)cnc2Cl)c(F)cc1OC ZINC000858171560 1136946065 /nfs/dbraw/zinc/94/60/65/1136946065.db2.gz YTDPEHBTDUBPLC-UHFFFAOYSA-N 1 2 342.773 3.710 20 0 EHADLO Cc1csc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)n1 ZINC000173381308 1136946403 /nfs/dbraw/zinc/94/64/03/1136946403.db2.gz OQTKATGLNMLXAX-MRXNPFEDSA-N 1 2 338.436 3.518 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCC1 ZINC000858342280 1136960044 /nfs/dbraw/zinc/96/00/44/1136960044.db2.gz MDAABFJSTQHJEI-UHFFFAOYSA-N 1 2 331.288 3.876 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858472033 1136970935 /nfs/dbraw/zinc/97/09/35/1136970935.db2.gz WDWXMJZKUMFAQH-GOEBONIOSA-N 1 2 341.455 3.974 20 0 EHADLO COC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1Cl ZINC000820094529 1136976131 /nfs/dbraw/zinc/97/61/31/1136976131.db2.gz LUUNOXQIDIXFSI-OAHLLOKOSA-N 1 2 349.818 3.549 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@@H]3C)n2)C1 ZINC001136350959 1136997281 /nfs/dbraw/zinc/99/72/81/1136997281.db2.gz AIHZFQYZAZWBER-JLHDYFKBSA-N 1 2 347.528 3.996 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@@H]3C)n2)C1 ZINC001136350959 1136997282 /nfs/dbraw/zinc/99/72/82/1136997282.db2.gz AIHZFQYZAZWBER-JLHDYFKBSA-N 1 2 347.528 3.996 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccnc(F)c2)CC1 ZINC000859062185 1137001575 /nfs/dbraw/zinc/00/15/75/1137001575.db2.gz CYBFWDFBBPRHDP-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO Cn1nc(C[NH2+]C(C)(C)c2ccccc2Br)cc1Cl ZINC000859236101 1137009362 /nfs/dbraw/zinc/00/93/62/1137009362.db2.gz SZCQUUVKHUHGMD-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)C=C1CCCCC1 ZINC001136442317 1137025596 /nfs/dbraw/zinc/02/55/96/1137025596.db2.gz NNWNHFOZENLUTN-UHFFFAOYSA-N 1 2 336.520 3.618 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC001136475433 1137033978 /nfs/dbraw/zinc/03/39/78/1137033978.db2.gz DYXDSMKZXPTUES-QGZVFWFLSA-N 1 2 326.444 3.574 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC001136475433 1137033980 /nfs/dbraw/zinc/03/39/80/1137033980.db2.gz DYXDSMKZXPTUES-QGZVFWFLSA-N 1 2 326.444 3.574 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(C(C)(C)C)c2)c1C ZINC001136490287 1137037672 /nfs/dbraw/zinc/03/76/72/1137037672.db2.gz XVWKBAWKDSAWJI-UHFFFAOYSA-N 1 2 326.440 3.935 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000860116962 1137045165 /nfs/dbraw/zinc/04/51/65/1137045165.db2.gz RUXXCHDQWVWZNZ-PBHICJAKSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000860116962 1137045167 /nfs/dbraw/zinc/04/51/67/1137045167.db2.gz RUXXCHDQWVWZNZ-PBHICJAKSA-N 1 2 343.471 3.892 20 0 EHADLO CCCc1ccc(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)cc1 ZINC000822003706 1137046875 /nfs/dbraw/zinc/04/68/75/1137046875.db2.gz CZZOYSPLZCZQML-UHFFFAOYSA-N 1 2 326.425 3.598 20 0 EHADLO CC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cs1 ZINC001136624959 1137072738 /nfs/dbraw/zinc/07/27/38/1137072738.db2.gz RDVQNJGBKSVLRC-UHFFFAOYSA-N 1 2 325.393 3.697 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000822911557 1137078934 /nfs/dbraw/zinc/07/89/34/1137078934.db2.gz RBFSEEHTQGEXQE-HNNXBMFYSA-N 1 2 341.361 3.688 20 0 EHADLO O=C(CC(C1CCC1)C1CCC1)OCC1CN(c2cccc[nH+]2)C1 ZINC000860843448 1137080654 /nfs/dbraw/zinc/08/06/54/1137080654.db2.gz ZHHGVYUYYYHTJW-UHFFFAOYSA-N 1 2 328.456 3.668 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000822985713 1137082217 /nfs/dbraw/zinc/08/22/17/1137082217.db2.gz PKRAXVXRQLPEBC-CIISACIHSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000822985713 1137082219 /nfs/dbraw/zinc/08/22/19/1137082219.db2.gz PKRAXVXRQLPEBC-CIISACIHSA-N 1 2 330.255 3.526 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc3sccc3c2)n1 ZINC000823394211 1137097808 /nfs/dbraw/zinc/09/78/08/1137097808.db2.gz VUHXBVDDFGBJEA-LBPRGKRZSA-N 1 2 345.424 3.683 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cn1 ZINC000118198242 1137101712 /nfs/dbraw/zinc/10/17/12/1137101712.db2.gz SLVROUQCEAETPN-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Br ZINC001136854239 1137131832 /nfs/dbraw/zinc/13/18/32/1137131832.db2.gz OAPVQYQRYDNKLB-GFCCVEGCSA-N 1 2 338.142 3.958 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Br ZINC001136854239 1137131833 /nfs/dbraw/zinc/13/18/33/1137131833.db2.gz OAPVQYQRYDNKLB-GFCCVEGCSA-N 1 2 338.142 3.958 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)c(F)cc1F ZINC001136855884 1137132271 /nfs/dbraw/zinc/13/22/71/1137132271.db2.gz YVUOXAZLQZMIHS-FOSCPWQOSA-N 1 2 346.215 3.869 20 0 EHADLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(F)cc1F ZINC001136855884 1137132273 /nfs/dbraw/zinc/13/22/73/1137132273.db2.gz YVUOXAZLQZMIHS-FOSCPWQOSA-N 1 2 346.215 3.869 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000862249689 1137134885 /nfs/dbraw/zinc/13/48/85/1137134885.db2.gz ZKEUUGAICIMNSY-AWEZNQCLSA-N 1 2 335.220 3.800 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000862249689 1137134887 /nfs/dbraw/zinc/13/48/87/1137134887.db2.gz ZKEUUGAICIMNSY-AWEZNQCLSA-N 1 2 335.220 3.800 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1NCc1ccccc1)Cn1cc[nH+]c1 ZINC001136892271 1137141641 /nfs/dbraw/zinc/14/16/41/1137141641.db2.gz AJRGUJGSYAKSBJ-KRWDZBQOSA-N 1 2 348.450 3.561 20 0 EHADLO C[C@@H]1[C@H](C)[N@H+](Cc2cnc(C3CC3)o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000862400503 1137142748 /nfs/dbraw/zinc/14/27/48/1137142748.db2.gz YNYIDGUJPHDCNB-MELADBBJSA-N 1 2 349.475 3.770 20 0 EHADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cnc(C3CC3)o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000862400503 1137142749 /nfs/dbraw/zinc/14/27/49/1137142749.db2.gz YNYIDGUJPHDCNB-MELADBBJSA-N 1 2 349.475 3.770 20 0 EHADLO CCc1ccc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)nc1 ZINC000339038362 1137147697 /nfs/dbraw/zinc/14/76/97/1137147697.db2.gz CLQMNTQGNNSKDQ-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO CCc1ccc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)nc1 ZINC000339038362 1137147699 /nfs/dbraw/zinc/14/76/99/1137147699.db2.gz CLQMNTQGNNSKDQ-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cnc1Cl ZINC000862517667 1137147743 /nfs/dbraw/zinc/14/77/43/1137147743.db2.gz FLBLNUMJBXESQV-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO Oc1cccc2c1CC[N@H+](Cc1ccc(CSC(F)F)o1)C2 ZINC000862530114 1137148306 /nfs/dbraw/zinc/14/83/06/1137148306.db2.gz WGHYXNOQHUPXMI-UHFFFAOYSA-N 1 2 325.380 3.999 20 0 EHADLO Oc1cccc2c1CC[N@@H+](Cc1ccc(CSC(F)F)o1)C2 ZINC000862530114 1137148307 /nfs/dbraw/zinc/14/83/07/1137148307.db2.gz WGHYXNOQHUPXMI-UHFFFAOYSA-N 1 2 325.380 3.999 20 0 EHADLO C[N@H+](Cc1ccnc(Cl)c1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000824691140 1137148397 /nfs/dbraw/zinc/14/83/97/1137148397.db2.gz VCSHMWXVIOKGKQ-CYBMUJFWSA-N 1 2 329.202 3.693 20 0 EHADLO C[N@@H+](Cc1ccnc(Cl)c1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000824691140 1137148398 /nfs/dbraw/zinc/14/83/98/1137148398.db2.gz VCSHMWXVIOKGKQ-CYBMUJFWSA-N 1 2 329.202 3.693 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925515 1137149490 /nfs/dbraw/zinc/14/94/90/1137149490.db2.gz CGFBEABPXWKGMJ-OAHLLOKOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925515 1137149491 /nfs/dbraw/zinc/14/94/91/1137149491.db2.gz CGFBEABPXWKGMJ-OAHLLOKOSA-N 1 2 339.867 3.614 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(Br)c(Cl)c2)co1 ZINC000825061883 1137164014 /nfs/dbraw/zinc/16/40/14/1137164014.db2.gz LOLZFDGHNDFOGY-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO Fc1cccc2[nH]cc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c21 ZINC001136988315 1137165330 /nfs/dbraw/zinc/16/53/30/1137165330.db2.gz AUZPQVNXIAKMJM-MRXNPFEDSA-N 1 2 337.389 3.612 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000825138747 1137167192 /nfs/dbraw/zinc/16/71/92/1137167192.db2.gz VHGHTTKZTVUNRG-NXEZZACHSA-N 1 2 341.358 3.774 20 0 EHADLO c1ccc(C[NH+](Cc2ccc3c(c2)COC3)Cc2ccccn2)nc1 ZINC001137021915 1137173431 /nfs/dbraw/zinc/17/34/31/1137173431.db2.gz DWGMXSUONRMDPA-UHFFFAOYSA-N 1 2 331.419 3.709 20 0 EHADLO CCCOCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000863217758 1137175128 /nfs/dbraw/zinc/17/51/28/1137175128.db2.gz SOAHVFJLRHRMLA-GFCCVEGCSA-N 1 2 338.452 3.505 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[NH2+]C1(c2nccs2)CCCC1 ZINC000863263583 1137178544 /nfs/dbraw/zinc/17/85/44/1137178544.db2.gz SIZNPJYBAOXFOS-OAHLLOKOSA-N 1 2 343.452 3.653 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC000863275261 1137179157 /nfs/dbraw/zinc/17/91/57/1137179157.db2.gz YYIPFMCBZRAHTL-XQQFMLRXSA-N 1 2 344.471 3.605 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC000863275261 1137179159 /nfs/dbraw/zinc/17/91/59/1137179159.db2.gz YYIPFMCBZRAHTL-XQQFMLRXSA-N 1 2 344.471 3.605 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(C(F)F)n(C)c1=S)C1CCCCC1 ZINC000863314998 1137180618 /nfs/dbraw/zinc/18/06/18/1137180618.db2.gz HAPAGOGBXXASNC-NSHDSACASA-N 1 2 332.464 3.994 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(C(F)F)n(C)c1=S)C1CCCCC1 ZINC000863314998 1137180620 /nfs/dbraw/zinc/18/06/20/1137180620.db2.gz HAPAGOGBXXASNC-NSHDSACASA-N 1 2 332.464 3.994 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341234 1137181615 /nfs/dbraw/zinc/18/16/15/1137181615.db2.gz QDNYJOJPJDKGOS-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000863341234 1137181616 /nfs/dbraw/zinc/18/16/16/1137181616.db2.gz QDNYJOJPJDKGOS-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000339057207 1137190100 /nfs/dbraw/zinc/19/01/00/1137190100.db2.gz BGDXTEBEIVIREO-ZDUSSCGKSA-N 1 2 329.410 3.582 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000339057207 1137190102 /nfs/dbraw/zinc/19/01/02/1137190102.db2.gz BGDXTEBEIVIREO-ZDUSSCGKSA-N 1 2 329.410 3.582 20 0 EHADLO O=C(C[NH2+][C@H]1CCc2cc(Cl)ccc2C1)OCc1ccccc1 ZINC001171096738 1137190418 /nfs/dbraw/zinc/19/04/18/1137190418.db2.gz WEBJWXHZTIJBDK-SFHVURJKSA-N 1 2 329.827 3.530 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1Cl ZINC001143745235 1137195755 /nfs/dbraw/zinc/19/57/55/1137195755.db2.gz QMSGHWULGDNKTF-KRWDZBQOSA-N 1 2 341.810 3.549 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1Cl ZINC001143745235 1137195756 /nfs/dbraw/zinc/19/57/56/1137195756.db2.gz QMSGHWULGDNKTF-KRWDZBQOSA-N 1 2 341.810 3.549 20 0 EHADLO CCOc1cc(-c2noc([C@@H]([NH3+])CCC(C)C)n2)cc(Cl)c1O ZINC000863671325 1137198471 /nfs/dbraw/zinc/19/84/71/1137198471.db2.gz WRDYAFVRXYNVFG-LBPRGKRZSA-N 1 2 339.823 3.930 20 0 EHADLO COc1ccc(Cl)c(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1F ZINC001143897251 1137210741 /nfs/dbraw/zinc/21/07/41/1137210741.db2.gz BFQCYVJPKHDRFV-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1F ZINC001143899150 1137211013 /nfs/dbraw/zinc/21/10/13/1137211013.db2.gz MWNHPOURLQVPFE-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1F ZINC001143899150 1137211015 /nfs/dbraw/zinc/21/10/15/1137211015.db2.gz MWNHPOURLQVPFE-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCC(c3noc(C)n3)CC2)c1F ZINC001143897639 1137211148 /nfs/dbraw/zinc/21/11/48/1137211148.db2.gz HFCQUHCBSGQOHU-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO O=C(/C=C\C1CCCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000844331652 1137211158 /nfs/dbraw/zinc/21/11/58/1137211158.db2.gz KJKAAYZJQBCHAI-KHPPLWFESA-N 1 2 327.472 3.693 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2F)c(OC)c1 ZINC001143914732 1137214469 /nfs/dbraw/zinc/21/44/69/1137214469.db2.gz FDQUHSBKFTWLEO-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(F)c2F)c(OC)c1 ZINC001143914732 1137214470 /nfs/dbraw/zinc/21/44/70/1137214470.db2.gz FDQUHSBKFTWLEO-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)[C@@H]2C ZINC001171120577 1137215074 /nfs/dbraw/zinc/21/50/74/1137215074.db2.gz DWZNFCLUQHFWLW-DYVFJYSZSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)[C@@H]2C ZINC001171120577 1137215076 /nfs/dbraw/zinc/21/50/76/1137215076.db2.gz DWZNFCLUQHFWLW-DYVFJYSZSA-N 1 2 345.874 3.617 20 0 EHADLO Cc1cc(NC(=O)c2cccc3c2O[C@H](C)C3)ccc1-n1cc[nH+]c1 ZINC001143940079 1137216736 /nfs/dbraw/zinc/21/67/36/1137216736.db2.gz SSPPXTJILHMHSY-CQSZACIVSA-N 1 2 333.391 3.756 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C(C)C)[nH]c2=O)ccc1-n1cc[nH+]c1 ZINC001143946496 1137217344 /nfs/dbraw/zinc/21/73/44/1137217344.db2.gz MQPLKENGVBEMLG-UHFFFAOYSA-N 1 2 336.395 3.657 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)[C@H](C)C(C)C)c2=S)cc1 ZINC000794619017 1137220882 /nfs/dbraw/zinc/22/08/82/1137220882.db2.gz DRCYKEFULKVPFE-CYBMUJFWSA-N 1 2 334.489 3.654 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)[C@H](C)C(C)C)c2=S)cc1 ZINC000794619017 1137220884 /nfs/dbraw/zinc/22/08/84/1137220884.db2.gz DRCYKEFULKVPFE-CYBMUJFWSA-N 1 2 334.489 3.654 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448727 1137220934 /nfs/dbraw/zinc/22/09/34/1137220934.db2.gz CESNMFWXLJMGTL-FXAINCCUSA-N 1 2 325.746 3.648 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448727 1137220935 /nfs/dbraw/zinc/22/09/35/1137220935.db2.gz CESNMFWXLJMGTL-FXAINCCUSA-N 1 2 325.746 3.648 20 0 EHADLO COc1ccc(-n2c(C)nn(C[NH+]3CCCCCCC3)c2=S)cc1 ZINC000794617337 1137220983 /nfs/dbraw/zinc/22/09/83/1137220983.db2.gz WJTGTPCXRYDWNL-UHFFFAOYSA-N 1 2 346.500 3.944 20 0 EHADLO Cc1ccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000145091259 1137221369 /nfs/dbraw/zinc/22/13/69/1137221369.db2.gz VIDWUNTXNBBSMF-INIZCTEOSA-N 1 2 330.501 3.901 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3OC)C2)c1F ZINC001143976681 1137222511 /nfs/dbraw/zinc/22/25/11/1137222511.db2.gz JTBDGXMZKQNUAC-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)c1F ZINC001143976681 1137222513 /nfs/dbraw/zinc/22/25/13/1137222513.db2.gz JTBDGXMZKQNUAC-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000844439676 1137223563 /nfs/dbraw/zinc/22/35/63/1137223563.db2.gz PLWLNTSNJACPJJ-OAHLLOKOSA-N 1 2 328.790 3.708 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000844439676 1137223565 /nfs/dbraw/zinc/22/35/65/1137223565.db2.gz PLWLNTSNJACPJJ-OAHLLOKOSA-N 1 2 328.790 3.708 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440496 1137224040 /nfs/dbraw/zinc/22/40/40/1137224040.db2.gz UAYVDVGSHLYAKA-ZBFHGGJFSA-N 1 2 340.801 3.567 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440496 1137224041 /nfs/dbraw/zinc/22/40/41/1137224041.db2.gz UAYVDVGSHLYAKA-ZBFHGGJFSA-N 1 2 340.801 3.567 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000794682202 1137226000 /nfs/dbraw/zinc/22/60/00/1137226000.db2.gz GMZRHZBTTLUOJT-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000794682202 1137226002 /nfs/dbraw/zinc/22/60/02/1137226002.db2.gz GMZRHZBTTLUOJT-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO Cc1cc(NC2CCN(c3cnc4ccccc4n3)CC2)c[nH+]c1C ZINC001171138796 1137238193 /nfs/dbraw/zinc/23/81/93/1137238193.db2.gz YXLYZCRHJJVTPN-UHFFFAOYSA-N 1 2 333.439 3.723 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)o1 ZINC001144135227 1137242655 /nfs/dbraw/zinc/24/26/55/1137242655.db2.gz UAKKBTCHNPHIOP-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)o1 ZINC001144135227 1137242656 /nfs/dbraw/zinc/24/26/56/1137242656.db2.gz UAKKBTCHNPHIOP-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)CC12CCCC2 ZINC000844680301 1137246437 /nfs/dbraw/zinc/24/64/37/1137246437.db2.gz YDYCSXRXMXVITA-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)CC12CCCC2 ZINC000844680301 1137246439 /nfs/dbraw/zinc/24/64/39/1137246439.db2.gz YDYCSXRXMXVITA-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000844709782 1137247302 /nfs/dbraw/zinc/24/73/02/1137247302.db2.gz UFIVUGLXEVXMAK-BETUJISGSA-N 1 2 349.887 3.705 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000844709782 1137247303 /nfs/dbraw/zinc/24/73/03/1137247303.db2.gz UFIVUGLXEVXMAK-BETUJISGSA-N 1 2 349.887 3.705 20 0 EHADLO CC(=O)c1ccc(OCc2cc[nH+]c(N(C)C)c2)c(Br)c1 ZINC000844769792 1137254063 /nfs/dbraw/zinc/25/40/63/1137254063.db2.gz WECOUYDIXLDNPY-UHFFFAOYSA-N 1 2 349.228 3.692 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065617 1137261339 /nfs/dbraw/zinc/26/13/39/1137261339.db2.gz QYWFVUFMGUZMJC-NTCAYCPXSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865141103 1137265038 /nfs/dbraw/zinc/26/50/38/1137265038.db2.gz PANBEBNTYVVUKH-INIZCTEOSA-N 1 2 348.406 3.617 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@@H]1F ZINC001171158825 1137270136 /nfs/dbraw/zinc/27/01/36/1137270136.db2.gz SMFYSBJFIJEJNX-DOMZBBRYSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@@H]1F ZINC001171158825 1137270138 /nfs/dbraw/zinc/27/01/38/1137270138.db2.gz SMFYSBJFIJEJNX-DOMZBBRYSA-N 1 2 330.230 3.854 20 0 EHADLO Cc1ccc(CSCc2cn(C)nc2Br)c(C)[nH+]1 ZINC000865280494 1137273765 /nfs/dbraw/zinc/27/37/65/1137273765.db2.gz FRKKYRAYTMQJRM-UHFFFAOYSA-N 1 2 326.263 3.628 20 0 EHADLO C[C@@H](CC(=O)OCc1cccc(OCC(F)(F)F)c1)n1cc[nH+]c1 ZINC000845282234 1137283201 /nfs/dbraw/zinc/28/32/01/1137283201.db2.gz QRRSQHIHDOEDTK-LBPRGKRZSA-N 1 2 342.317 3.519 20 0 EHADLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cccnc1Br ZINC000865452864 1137285324 /nfs/dbraw/zinc/28/53/24/1137285324.db2.gz QISXDTVNGNSOIX-CQSZACIVSA-N 1 2 333.229 3.684 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nccc(C)c3Br)CC2)cc1 ZINC000865455650 1137285480 /nfs/dbraw/zinc/28/54/80/1137285480.db2.gz LQXXYFNBSVURSR-UHFFFAOYSA-N 1 2 347.256 3.940 20 0 EHADLO COC[C@H]([NH2+]Cc1nccc(C)c1Br)c1ccccc1 ZINC000865462222 1137286051 /nfs/dbraw/zinc/28/60/51/1137286051.db2.gz LEODXTLFYXCKJJ-HNNXBMFYSA-N 1 2 335.245 3.630 20 0 EHADLO Cc1ccnc(C[NH2+]Cc2ccccc2N(C)C)c1Br ZINC000865470751 1137286745 /nfs/dbraw/zinc/28/67/45/1137286745.db2.gz FXAORIRRADENPU-UHFFFAOYSA-N 1 2 334.261 3.508 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)nn1 ZINC000865473570 1137286840 /nfs/dbraw/zinc/28/68/40/1137286840.db2.gz PAGPHVGFIOMEOP-FQEVSTJZSA-N 1 2 338.430 3.901 20 0 EHADLO Clc1ccc2c(C[NH+]3CC(OCc4ccccc4)C3)c[nH]c2n1 ZINC001144414522 1137287649 /nfs/dbraw/zinc/28/76/49/1137287649.db2.gz JLSRQRILHXTTMO-UHFFFAOYSA-N 1 2 327.815 3.617 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000865511437 1137290325 /nfs/dbraw/zinc/29/03/25/1137290325.db2.gz FDQUDFZAQRFDHM-KRWDZBQOSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000865511437 1137290327 /nfs/dbraw/zinc/29/03/27/1137290327.db2.gz FDQUDFZAQRFDHM-KRWDZBQOSA-N 1 2 336.357 3.703 20 0 EHADLO C[C@H](CC(=O)OCCc1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000845462485 1137293520 /nfs/dbraw/zinc/29/35/20/1137293520.db2.gz VWWYRWNTSMMQQB-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO C[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Cl ZINC000845463525 1137293756 /nfs/dbraw/zinc/29/37/56/1137293756.db2.gz YNDQTANNPSOMQD-NSHDSACASA-N 1 2 336.794 3.859 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2cc(F)cnc2Cl)cc1OC ZINC000865582905 1137296695 /nfs/dbraw/zinc/29/66/95/1137296695.db2.gz KNQJRPRPWGLJCD-UHFFFAOYSA-N 1 2 345.201 3.835 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1F ZINC000865631691 1137300332 /nfs/dbraw/zinc/30/03/32/1137300332.db2.gz HCTSAOYPLUXQAK-HNNXBMFYSA-N 1 2 347.283 3.529 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144554777 1137308741 /nfs/dbraw/zinc/30/87/41/1137308741.db2.gz HIKMZPLNJOKDIR-INIZCTEOSA-N 1 2 349.377 3.722 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144554777 1137308742 /nfs/dbraw/zinc/30/87/42/1137308742.db2.gz HIKMZPLNJOKDIR-INIZCTEOSA-N 1 2 349.377 3.722 20 0 EHADLO Fc1cc2[nH+]ccc(N3C[C@H]4[C@@H](C3)C4(F)F)c2cc1Br ZINC000845755212 1137308869 /nfs/dbraw/zinc/30/88/69/1137308869.db2.gz DRRILFZVMLGAQS-DTORHVGOSA-N 1 2 343.146 3.838 20 0 EHADLO CC(=O)C1(c2ccccc2)CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144555075 1137308904 /nfs/dbraw/zinc/30/89/04/1137308904.db2.gz UFZDATBIFOWLQC-UHFFFAOYSA-N 1 2 345.389 3.793 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001144561562 1137309948 /nfs/dbraw/zinc/30/99/48/1137309948.db2.gz WXKXZTVUBDTADN-OAHLLOKOSA-N 1 2 328.378 3.882 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001144561562 1137309949 /nfs/dbraw/zinc/30/99/49/1137309949.db2.gz WXKXZTVUBDTADN-OAHLLOKOSA-N 1 2 328.378 3.882 20 0 EHADLO COc1ccsc1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865804188 1137313162 /nfs/dbraw/zinc/31/31/62/1137313162.db2.gz RHIUZXJGSAPOKE-UHFFFAOYSA-N 1 2 345.390 3.598 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cccc(Br)c2F)n1 ZINC000865808042 1137313477 /nfs/dbraw/zinc/31/34/77/1137313477.db2.gz WYAXSXLICUYLIQ-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000120764484 1137316597 /nfs/dbraw/zinc/31/65/97/1137316597.db2.gz KFPCUDZHDLVKDR-LBPRGKRZSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000120764484 1137316599 /nfs/dbraw/zinc/31/65/99/1137316599.db2.gz KFPCUDZHDLVKDR-LBPRGKRZSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000120773566 1137317008 /nfs/dbraw/zinc/31/70/08/1137317008.db2.gz OWHNJLDDKISUME-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000120773566 1137317010 /nfs/dbraw/zinc/31/70/10/1137317010.db2.gz OWHNJLDDKISUME-QGZVFWFLSA-N 1 2 325.456 3.626 20 0 EHADLO Fc1ccc(S[C@H]2CCN(Cc3[nH+]cn4ccccc34)C2)cc1 ZINC001144625418 1137318090 /nfs/dbraw/zinc/31/80/90/1137318090.db2.gz LUFWFWHURYAMDM-INIZCTEOSA-N 1 2 327.428 3.840 20 0 EHADLO c1[nH+]c(CN2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c2ccccn12 ZINC001144618504 1137318845 /nfs/dbraw/zinc/31/88/45/1137318845.db2.gz UUEVNNRLXSIVQU-SIKLNZKXSA-N 1 2 347.462 3.873 20 0 EHADLO CNc1nc(N2CCC[C@@H](OC3CCC3)CC2)[nH+]c2ccccc21 ZINC000866146070 1137331573 /nfs/dbraw/zinc/33/15/73/1137331573.db2.gz SXLXNJJKCPEBFB-OAHLLOKOSA-N 1 2 326.444 3.600 20 0 EHADLO F[C@@H]1C[N@H+](Cc2c[nH]c3cc(Br)cnc23)CCC1(F)F ZINC001144695587 1137332368 /nfs/dbraw/zinc/33/23/68/1137332368.db2.gz SZCPYYCRJOJZTJ-LLVKDONJSA-N 1 2 348.166 3.505 20 0 EHADLO F[C@@H]1C[N@@H+](Cc2c[nH]c3cc(Br)cnc23)CCC1(F)F ZINC001144695587 1137332369 /nfs/dbraw/zinc/33/23/69/1137332369.db2.gz SZCPYYCRJOJZTJ-LLVKDONJSA-N 1 2 348.166 3.505 20 0 EHADLO F[C@H]1C[N@H+](Cc2c[nH]c3cc(Br)cnc23)CCC1(F)F ZINC001144695588 1137332605 /nfs/dbraw/zinc/33/26/05/1137332605.db2.gz SZCPYYCRJOJZTJ-NSHDSACASA-N 1 2 348.166 3.505 20 0 EHADLO F[C@H]1C[N@@H+](Cc2c[nH]c3cc(Br)cnc23)CCC1(F)F ZINC001144695588 1137332607 /nfs/dbraw/zinc/33/26/07/1137332607.db2.gz SZCPYYCRJOJZTJ-NSHDSACASA-N 1 2 348.166 3.505 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1cc(C)nn1C ZINC000846108902 1137332772 /nfs/dbraw/zinc/33/27/72/1137332772.db2.gz FSBMJURZBXBHQT-MRXNPFEDSA-N 1 2 333.863 3.900 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1cc(C)nn1C ZINC000846108902 1137332773 /nfs/dbraw/zinc/33/27/73/1137332773.db2.gz FSBMJURZBXBHQT-MRXNPFEDSA-N 1 2 333.863 3.900 20 0 EHADLO Clc1cccc2c(NC[C@H]3CC4(CO3)CCOCC4)cc[nH+]c12 ZINC000866174661 1137333528 /nfs/dbraw/zinc/33/35/28/1137333528.db2.gz DMTCGURVRBWUNH-CYBMUJFWSA-N 1 2 332.831 3.886 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000846117333 1137334290 /nfs/dbraw/zinc/33/42/90/1137334290.db2.gz MRVPECOFDZNMMA-HOCLYGCPSA-N 1 2 349.475 3.676 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144721996 1137339055 /nfs/dbraw/zinc/33/90/55/1137339055.db2.gz JYWLAERGABDBKA-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144721996 1137339057 /nfs/dbraw/zinc/33/90/57/1137339057.db2.gz JYWLAERGABDBKA-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc4scnc4c3)CC2)c(F)c1 ZINC001144738867 1137341347 /nfs/dbraw/zinc/34/13/47/1137341347.db2.gz JNRHQZNHCBRHCO-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO Cc1ccc(OCCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144759357 1137343147 /nfs/dbraw/zinc/34/31/47/1137343147.db2.gz HAGTVUVYHZRKEU-UHFFFAOYSA-N 1 2 349.434 3.608 20 0 EHADLO C[C@H](CCc1cccnc1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000866335051 1137346676 /nfs/dbraw/zinc/34/66/76/1137346676.db2.gz ZRKYJSPXJVFMDL-SJORKVTESA-N 1 2 325.456 3.740 20 0 EHADLO CCCC[C@@](CC)(Nc1ccc(Cn2cc[nH+]c2)cn1)C(=O)OCC ZINC001171227199 1137352405 /nfs/dbraw/zinc/35/24/05/1137352405.db2.gz LOPJEKMMKJPAOA-LJQANCHMSA-N 1 2 344.459 3.640 20 0 EHADLO CCCC[C@](CC)(Nc1ccc(Cn2cc[nH+]c2)cn1)C(=O)OCC ZINC001171227198 1137352431 /nfs/dbraw/zinc/35/24/31/1137352431.db2.gz LOPJEKMMKJPAOA-IBGZPJMESA-N 1 2 344.459 3.640 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)csc2s1 ZINC000866421464 1137353125 /nfs/dbraw/zinc/35/31/25/1137353125.db2.gz RQFQKYKIEZSKFL-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)csc2s1 ZINC000866421464 1137353128 /nfs/dbraw/zinc/35/31/28/1137353128.db2.gz RQFQKYKIEZSKFL-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO CCc1noc(C)c1[C@H](C)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000866497825 1137359036 /nfs/dbraw/zinc/35/90/36/1137359036.db2.gz LZTMCVDYFDEEAI-YJBOKZPZSA-N 1 2 327.472 3.779 20 0 EHADLO CCc1noc(C)c1[C@H](C)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000866497825 1137359038 /nfs/dbraw/zinc/35/90/38/1137359038.db2.gz LZTMCVDYFDEEAI-YJBOKZPZSA-N 1 2 327.472 3.779 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000866536854 1137362605 /nfs/dbraw/zinc/36/26/05/1137362605.db2.gz WQLFYQMZILUIHM-LOWVWBTDSA-N 1 2 342.390 3.690 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC(F)F)n(C)n1 ZINC000866547310 1137363668 /nfs/dbraw/zinc/36/36/68/1137363668.db2.gz VFLLMFYZXHWTSR-SNVBAGLBSA-N 1 2 329.778 3.834 20 0 EHADLO Brc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)nc1 ZINC000866569067 1137365436 /nfs/dbraw/zinc/36/54/36/1137365436.db2.gz KUQIWYZPOOPQCN-OAHLLOKOSA-N 1 2 349.276 3.978 20 0 EHADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853413 1137372070 /nfs/dbraw/zinc/37/20/70/1137372070.db2.gz WBCZABNFTIUYGP-CHNSCGDPSA-N 1 2 345.295 3.740 20 0 EHADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853413 1137372073 /nfs/dbraw/zinc/37/20/73/1137372073.db2.gz WBCZABNFTIUYGP-CHNSCGDPSA-N 1 2 345.295 3.740 20 0 EHADLO CCOC(C[N@H+](CC)Cc1nc(-c2cccs2)oc1C)OCC ZINC000846966869 1137379731 /nfs/dbraw/zinc/37/97/31/1137379731.db2.gz CMQOBKFQMNRIHV-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1nc(-c2cccs2)oc1C)OCC ZINC000846966869 1137379732 /nfs/dbraw/zinc/37/97/32/1137379732.db2.gz CMQOBKFQMNRIHV-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO CCOC(C[N@H+](CC)Cc1nc2ccccc2n1C(F)F)OCC ZINC000846969242 1137379974 /nfs/dbraw/zinc/37/99/74/1137379974.db2.gz MNYWRWLRLVPHOM-UHFFFAOYSA-N 1 2 341.402 3.652 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1nc2ccccc2n1C(F)F)OCC ZINC000846969242 1137379975 /nfs/dbraw/zinc/37/99/75/1137379975.db2.gz MNYWRWLRLVPHOM-UHFFFAOYSA-N 1 2 341.402 3.652 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@H]1COCc2ccccc21 ZINC001171292743 1137398603 /nfs/dbraw/zinc/39/86/03/1137398603.db2.gz XVVXNAVKOYPXDH-KRWDZBQOSA-N 1 2 340.423 3.649 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000868412717 1137409138 /nfs/dbraw/zinc/40/91/38/1137409138.db2.gz FOIHRHIYVQLADJ-DLBZAZTESA-N 1 2 331.847 3.664 20 0 EHADLO COc1cccc2c1C[C@@H](Nc1cc[nH+]c3c(OC)cccc13)CO2 ZINC001171317191 1137415307 /nfs/dbraw/zinc/41/53/07/1137415307.db2.gz UYOWSHVUCWVLGY-CYBMUJFWSA-N 1 2 336.391 3.668 20 0 EHADLO COc1cccc2c1C[C@H](Nc1cccc(-c3c[nH+]cn3C)c1)CO2 ZINC001171317745 1137415815 /nfs/dbraw/zinc/41/58/15/1137415815.db2.gz ZDAGLGFVDPOIDS-INIZCTEOSA-N 1 2 335.407 3.511 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001148006588 1137416523 /nfs/dbraw/zinc/41/65/23/1137416523.db2.gz JZJUSAPYIHUWTR-HMFIYZBKSA-N 1 2 327.472 3.842 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000868939336 1137429998 /nfs/dbraw/zinc/42/99/98/1137429998.db2.gz RWFKSXVXVAKFLD-FUHIMQAGSA-N 1 2 346.519 3.836 20 0 EHADLO CSc1ccncc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001148912728 1137437719 /nfs/dbraw/zinc/43/77/19/1137437719.db2.gz QGAOYFKPGGBEKQ-OKILXGFUSA-N 1 2 342.468 3.808 20 0 EHADLO O=C(Nc1cccc(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282747161 1137445153 /nfs/dbraw/zinc/44/51/53/1137445153.db2.gz FYNPXKPZYCEHCO-CQSZACIVSA-N 1 2 342.418 3.770 20 0 EHADLO Cc1cn2cc(NC(=O)CCSCc3ccccc3)ccc2[nH+]1 ZINC000348206052 1137454968 /nfs/dbraw/zinc/45/49/68/1137454968.db2.gz NELAORAWZIQPAX-UHFFFAOYSA-N 1 2 325.437 3.905 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000282813840 1137455311 /nfs/dbraw/zinc/45/53/11/1137455311.db2.gz OMXUYJBRGFFNLJ-UHFFFAOYSA-N 1 2 341.846 3.565 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000282813840 1137455313 /nfs/dbraw/zinc/45/53/13/1137455313.db2.gz OMXUYJBRGFFNLJ-UHFFFAOYSA-N 1 2 341.846 3.565 20 0 EHADLO Cc1c[nH]cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000339095677 1137469880 /nfs/dbraw/zinc/46/98/80/1137469880.db2.gz PRSFDSDGJQJSJW-INIZCTEOSA-N 1 2 349.837 3.683 20 0 EHADLO c1ccc(COC2CC([NH2+]c3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000716161708 1137479712 /nfs/dbraw/zinc/47/97/12/1137479712.db2.gz OKOUJKIRRZLSRS-UHFFFAOYSA-N 1 2 338.451 3.683 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000773252154 1137481441 /nfs/dbraw/zinc/48/14/41/1137481441.db2.gz NQPIBYCCUYWXSM-HNNXBMFYSA-N 1 2 347.890 3.676 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000773252154 1137481442 /nfs/dbraw/zinc/48/14/42/1137481442.db2.gz NQPIBYCCUYWXSM-HNNXBMFYSA-N 1 2 347.890 3.676 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000870304369 1137486786 /nfs/dbraw/zinc/48/67/86/1137486786.db2.gz SBYQFNJVXWLPAW-PLNGDYQASA-N 1 2 344.358 3.690 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171447448 1137487432 /nfs/dbraw/zinc/48/74/32/1137487432.db2.gz CHAXTZPMUFJKMD-RHSMWYFYSA-N 1 2 339.426 3.778 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171664144 1137502436 /nfs/dbraw/zinc/50/24/36/1137502436.db2.gz TULTUJLOXFBDDC-OXJNMPFZSA-N 1 2 343.442 3.829 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccnc1-c1ccccc1 ZINC000339108374 1137505451 /nfs/dbraw/zinc/50/54/51/1137505451.db2.gz VAVRNPQKFAWLCV-UHFFFAOYSA-N 1 2 347.422 3.767 20 0 EHADLO CN1CC[N@H+](Cc2nc3ccccc3s2)[C@H](Cc2ccccc2)C1 ZINC001171735812 1137510547 /nfs/dbraw/zinc/51/05/47/1137510547.db2.gz YCBRDOQUTMAMLY-QGZVFWFLSA-N 1 2 337.492 3.655 20 0 EHADLO CN1CC[N@@H+](Cc2nc3ccccc3s2)[C@H](Cc2ccccc2)C1 ZINC001171735812 1137510548 /nfs/dbraw/zinc/51/05/48/1137510548.db2.gz YCBRDOQUTMAMLY-QGZVFWFLSA-N 1 2 337.492 3.655 20 0 EHADLO Fc1ccc(OC2C[NH+]([C@H]3CSc4ccccc4C3)C2)cc1F ZINC001172204331 1137540802 /nfs/dbraw/zinc/54/08/02/1137540802.db2.gz ZFPMLCQZHGVMKM-CYBMUJFWSA-N 1 2 333.403 3.745 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000872061702 1137568976 /nfs/dbraw/zinc/56/89/76/1137568976.db2.gz ZCUGWDJPTSWBAV-QFBILLFUSA-N 1 2 343.471 3.968 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872114929 1137571971 /nfs/dbraw/zinc/57/19/71/1137571971.db2.gz DVQKFBIWHYYYFW-SECBINFHSA-N 1 2 339.848 3.614 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)cc1NC(C)=O ZINC000872117105 1137572339 /nfs/dbraw/zinc/57/23/39/1137572339.db2.gz YQYNVMQHSIKPKO-SECBINFHSA-N 1 2 339.848 3.614 20 0 EHADLO CSC[C@@H]([NH2+]Cc1nonc1C)c1ccc(C(F)(F)F)cc1 ZINC000872136334 1137573677 /nfs/dbraw/zinc/57/36/77/1137573677.db2.gz MPZULACMLBVFNL-CYBMUJFWSA-N 1 2 331.363 3.591 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000872138389 1137573742 /nfs/dbraw/zinc/57/37/42/1137573742.db2.gz VSICFJXQTSNRIW-SSDOTTSWSA-N 1 2 330.613 3.645 20 0 EHADLO [NH3+][C@@H](c1nc(CCc2ccco2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872175221 1137575263 /nfs/dbraw/zinc/57/52/63/1137575263.db2.gz KABVZSBZOPUGAN-CQSZACIVSA-N 1 2 337.301 3.515 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000124054126 1137578798 /nfs/dbraw/zinc/57/87/98/1137578798.db2.gz VZSCNKUJICTKCE-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000124054126 1137578799 /nfs/dbraw/zinc/57/87/99/1137578799.db2.gz VZSCNKUJICTKCE-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ccnc4ncccc34)CC2)cc1 ZINC000872467121 1137580461 /nfs/dbraw/zinc/58/04/61/1137580461.db2.gz SMMLGBQYNZVYND-UHFFFAOYSA-N 1 2 347.466 3.777 20 0 EHADLO CC(C)(O)[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000872783364 1137584376 /nfs/dbraw/zinc/58/43/76/1137584376.db2.gz WIMHCGCDWVGLHW-NSHDSACASA-N 1 2 335.245 3.595 20 0 EHADLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3ccc(C(F)(F)F)n3)C2)[nH]n1 ZINC000872789943 1137584418 /nfs/dbraw/zinc/58/44/18/1137584418.db2.gz JKDSFCYOYFQEBP-GFCCVEGCSA-N 1 2 341.381 3.586 20 0 EHADLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3ccc(C(F)(F)F)n3)C2)[nH]n1 ZINC000872789943 1137584419 /nfs/dbraw/zinc/58/44/19/1137584419.db2.gz JKDSFCYOYFQEBP-GFCCVEGCSA-N 1 2 341.381 3.586 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1ncn(CCc2ccccn2)c1=S)C(C)(C)C ZINC000872819322 1137585081 /nfs/dbraw/zinc/58/50/81/1137585081.db2.gz XUJVEVGXRBJMBS-HNNXBMFYSA-N 1 2 347.532 3.623 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1ncn(CCc2ccccn2)c1=S)C(C)(C)C ZINC000872819322 1137585082 /nfs/dbraw/zinc/58/50/82/1137585082.db2.gz XUJVEVGXRBJMBS-HNNXBMFYSA-N 1 2 347.532 3.623 20 0 EHADLO C[C@H]([NH2+]Cc1c(Br)c2ccccc2n1C)c1ccn(C)n1 ZINC000873130994 1137590897 /nfs/dbraw/zinc/59/08/97/1137590897.db2.gz NOZRKZUXLXIHRZ-NSHDSACASA-N 1 2 347.260 3.525 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3cnn(-c4ccccc4)c3)c2C1 ZINC000873175849 1137592475 /nfs/dbraw/zinc/59/24/75/1137592475.db2.gz UKVBZYASSSPDSG-UHFFFAOYSA-N 1 2 336.439 3.665 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)cc1Cl ZINC000124791144 1137609411 /nfs/dbraw/zinc/60/94/11/1137609411.db2.gz IWRSYTBPNIJFGU-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO O=C(c1sccc1C(F)F)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874894124 1137625701 /nfs/dbraw/zinc/62/57/01/1137625701.db2.gz BWQGZAQYQJMLCR-ZDUSSCGKSA-N 1 2 340.370 3.612 20 0 EHADLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2cnn(C(C)C)c2)c1 ZINC001137083027 1137626784 /nfs/dbraw/zinc/62/67/84/1137626784.db2.gz YBAJSCFUOAJZQS-GOSISDBHSA-N 1 2 331.485 3.763 20 0 EHADLO COc1cccc([C@H]2CSCC[N@H+]2Cc2cnn(C(C)C)c2)c1 ZINC001137083027 1137626785 /nfs/dbraw/zinc/62/67/85/1137626785.db2.gz YBAJSCFUOAJZQS-GOSISDBHSA-N 1 2 331.485 3.763 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876574534 1137656066 /nfs/dbraw/zinc/65/60/66/1137656066.db2.gz VIIPNWDXRIVDCJ-LBPRGKRZSA-N 1 2 332.404 3.610 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876574534 1137656067 /nfs/dbraw/zinc/65/60/67/1137656067.db2.gz VIIPNWDXRIVDCJ-LBPRGKRZSA-N 1 2 332.404 3.610 20 0 EHADLO CCCC[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)[C@H](C)c1ccc(C)o1 ZINC000876606767 1137656968 /nfs/dbraw/zinc/65/69/68/1137656968.db2.gz FFZTXLJRSFIMEE-SJLPKXTDSA-N 1 2 346.475 3.722 20 0 EHADLO CCCC[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)[C@H](C)c1ccc(C)o1 ZINC000876606767 1137656969 /nfs/dbraw/zinc/65/69/69/1137656969.db2.gz FFZTXLJRSFIMEE-SJLPKXTDSA-N 1 2 346.475 3.722 20 0 EHADLO C[N@H+](Cc1nccs1)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000876758407 1137660570 /nfs/dbraw/zinc/66/05/70/1137660570.db2.gz GVXDYUSTXBWBFT-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO C[N@@H+](Cc1nccs1)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000876758407 1137660571 /nfs/dbraw/zinc/66/05/71/1137660571.db2.gz GVXDYUSTXBWBFT-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)o1 ZINC000877109075 1137670318 /nfs/dbraw/zinc/67/03/18/1137670318.db2.gz YYFVFQKGHRKALL-AWEZNQCLSA-N 1 2 345.443 3.859 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1C ZINC000877129179 1137670969 /nfs/dbraw/zinc/67/09/69/1137670969.db2.gz ZZNNMPJNZVZEAR-UHFFFAOYSA-N 1 2 329.444 3.569 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877403078 1137675478 /nfs/dbraw/zinc/67/54/78/1137675478.db2.gz MPEPYNRNFLMBIB-GFCCVEGCSA-N 1 2 340.876 3.576 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877403078 1137675479 /nfs/dbraw/zinc/67/54/79/1137675479.db2.gz MPEPYNRNFLMBIB-GFCCVEGCSA-N 1 2 340.876 3.576 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1C ZINC000877408550 1137675694 /nfs/dbraw/zinc/67/56/94/1137675694.db2.gz OKYOQHGASCCYJX-UHFFFAOYSA-N 1 2 344.846 3.537 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2nc3cccc(Cl)c3n2C)c1C ZINC000877408550 1137675695 /nfs/dbraw/zinc/67/56/95/1137675695.db2.gz OKYOQHGASCCYJX-UHFFFAOYSA-N 1 2 344.846 3.537 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2cccc(C)c2Br)c1 ZINC000877466003 1137677080 /nfs/dbraw/zinc/67/70/80/1137677080.db2.gz YZXGZSYVBKDHOG-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1ncc(C)c(OC)c1C ZINC000877468393 1137677330 /nfs/dbraw/zinc/67/73/30/1137677330.db2.gz HYNYMYBFRILOPX-UHFFFAOYSA-N 1 2 326.396 3.752 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000877471599 1137677399 /nfs/dbraw/zinc/67/73/99/1137677399.db2.gz ZWODHSIZQUXBJM-NSHDSACASA-N 1 2 332.404 3.576 20 0 EHADLO CCNC(=O)Nc1ccc(C)c(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000877483398 1137677839 /nfs/dbraw/zinc/67/78/39/1137677839.db2.gz NHTWFHQWTPLIJQ-UHFFFAOYSA-N 1 2 342.443 3.769 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C(=O)N3CCCC3)cc2)c1C ZINC000877494255 1137678468 /nfs/dbraw/zinc/67/84/68/1137678468.db2.gz MYVVVHSVDADWGO-UHFFFAOYSA-N 1 2 339.439 3.555 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nccc(C)c1Br ZINC000877530649 1137679912 /nfs/dbraw/zinc/67/99/12/1137679912.db2.gz DXZWSJAJBUUSLU-CQSZACIVSA-N 1 2 349.276 3.830 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nccc(C)c1Br ZINC000877530649 1137679913 /nfs/dbraw/zinc/67/99/13/1137679913.db2.gz DXZWSJAJBUUSLU-CQSZACIVSA-N 1 2 349.276 3.830 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC001137876758 1137685278 /nfs/dbraw/zinc/68/52/78/1137685278.db2.gz YXMBNGMBECIMCL-HNNXBMFYSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC001137876758 1137685279 /nfs/dbraw/zinc/68/52/79/1137685279.db2.gz YXMBNGMBECIMCL-HNNXBMFYSA-N 1 2 325.305 3.896 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000877820446 1137691749 /nfs/dbraw/zinc/69/17/49/1137691749.db2.gz PRJARGUYOOHUFX-CYBMUJFWSA-N 1 2 334.407 3.954 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000877820446 1137691750 /nfs/dbraw/zinc/69/17/50/1137691750.db2.gz PRJARGUYOOHUFX-CYBMUJFWSA-N 1 2 334.407 3.954 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877823059 1137691920 /nfs/dbraw/zinc/69/19/20/1137691920.db2.gz JQPKWOWPAMUVIQ-WFASDCNBSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877823059 1137691921 /nfs/dbraw/zinc/69/19/21/1137691921.db2.gz JQPKWOWPAMUVIQ-WFASDCNBSA-N 1 2 339.361 3.618 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCO[C@H](C(C)(C)C)C2 ZINC000877853863 1137693418 /nfs/dbraw/zinc/69/34/18/1137693418.db2.gz NDWZUWNRGULQOQ-OXJNMPFZSA-N 1 2 336.520 3.843 20 0 EHADLO CC1(C)[NH2+][C@]2(CCC[C@@H](C(F)(F)F)C2)N(CC2CCCC2)C1=O ZINC000877857765 1137693733 /nfs/dbraw/zinc/69/37/33/1137693733.db2.gz ZMSJKQUXFUKCTN-CZUORRHYSA-N 1 2 332.410 3.836 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1scnc1Cl ZINC000877943578 1137696513 /nfs/dbraw/zinc/69/65/13/1137696513.db2.gz KTPPQEDPHCZBAW-LLVKDONJSA-N 1 2 333.848 3.570 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1scnc1Cl ZINC000877943578 1137696514 /nfs/dbraw/zinc/69/65/14/1137696514.db2.gz KTPPQEDPHCZBAW-LLVKDONJSA-N 1 2 333.848 3.570 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000877976925 1137697934 /nfs/dbraw/zinc/69/79/34/1137697934.db2.gz RXBQQXYDSRSBKF-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000877976925 1137697935 /nfs/dbraw/zinc/69/79/35/1137697935.db2.gz RXBQQXYDSRSBKF-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878013504 1137699558 /nfs/dbraw/zinc/69/95/58/1137699558.db2.gz JZCORDLQPBITER-ICSRJNTNSA-N 1 2 325.456 3.764 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878081658 1137701534 /nfs/dbraw/zinc/70/15/34/1137701534.db2.gz GJGWWGNYYMQQFV-VQTJNVASSA-N 1 2 337.419 3.709 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878081658 1137701535 /nfs/dbraw/zinc/70/15/35/1137701535.db2.gz GJGWWGNYYMQQFV-VQTJNVASSA-N 1 2 337.419 3.709 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000878086066 1137701750 /nfs/dbraw/zinc/70/17/50/1137701750.db2.gz YHFUJGDDSCYPCC-CQSZACIVSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)nc1Cl ZINC000878207156 1137707136 /nfs/dbraw/zinc/70/71/36/1137707136.db2.gz MXMDVEQXKLWMCJ-UHFFFAOYSA-N 1 2 344.842 3.844 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286506 1137709951 /nfs/dbraw/zinc/70/99/51/1137709951.db2.gz PNNCHBYOEAJKRL-QFBILLFUSA-N 1 2 345.389 3.736 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286506 1137709952 /nfs/dbraw/zinc/70/99/52/1137709952.db2.gz PNNCHBYOEAJKRL-QFBILLFUSA-N 1 2 345.389 3.736 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)cn1 ZINC000878290904 1137710041 /nfs/dbraw/zinc/71/00/41/1137710041.db2.gz WTGAVTRIDRNLES-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)cn1 ZINC000878290904 1137710042 /nfs/dbraw/zinc/71/00/42/1137710042.db2.gz WTGAVTRIDRNLES-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO Cc1cccc(C2=CC[N@H+](CCCS(=O)(=O)C(C)(C)C)CC2)c1 ZINC000878337723 1137711406 /nfs/dbraw/zinc/71/14/06/1137711406.db2.gz PJGOSAOPIMBPPL-UHFFFAOYSA-N 1 2 335.513 3.688 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)CC2)c1 ZINC000878337723 1137711407 /nfs/dbraw/zinc/71/14/07/1137711407.db2.gz PJGOSAOPIMBPPL-UHFFFAOYSA-N 1 2 335.513 3.688 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000878397540 1137714301 /nfs/dbraw/zinc/71/43/01/1137714301.db2.gz VDVIGMRFDQQQLC-ZENOOKHLSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000878397540 1137714302 /nfs/dbraw/zinc/71/43/02/1137714302.db2.gz VDVIGMRFDQQQLC-ZENOOKHLSA-N 1 2 329.362 3.504 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000878552659 1137719907 /nfs/dbraw/zinc/71/99/07/1137719907.db2.gz JINVNUKWLXSNIM-CABCVRRESA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000878552659 1137719908 /nfs/dbraw/zinc/71/99/08/1137719908.db2.gz JINVNUKWLXSNIM-CABCVRRESA-N 1 2 343.858 3.860 20 0 EHADLO CC[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000878602887 1137721781 /nfs/dbraw/zinc/72/17/81/1137721781.db2.gz JZXFFIVODPKKJY-AWEZNQCLSA-N 1 2 330.428 3.812 20 0 EHADLO C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616765 1137722390 /nfs/dbraw/zinc/72/23/90/1137722390.db2.gz SBVZLNXHTXPYTE-ARFHVFGLSA-N 1 2 347.459 3.550 20 0 EHADLO C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616765 1137722391 /nfs/dbraw/zinc/72/23/91/1137722391.db2.gz SBVZLNXHTXPYTE-ARFHVFGLSA-N 1 2 347.459 3.550 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)c1 ZINC000878634619 1137723296 /nfs/dbraw/zinc/72/32/96/1137723296.db2.gz BMYBLHVAKVZQAM-UHFFFAOYSA-N 1 2 347.846 3.645 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3scnc3Cl)CC2)c1F ZINC000878662578 1137724129 /nfs/dbraw/zinc/72/41/29/1137724129.db2.gz QXEALHGIMQHFPE-UHFFFAOYSA-N 1 2 343.830 3.787 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3scnc3Cl)CC2)c1F ZINC000878662578 1137724130 /nfs/dbraw/zinc/72/41/30/1137724130.db2.gz QXEALHGIMQHFPE-UHFFFAOYSA-N 1 2 343.830 3.787 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CC=CC1 ZINC000878767909 1137727628 /nfs/dbraw/zinc/72/76/28/1137727628.db2.gz RNIGBVBHKFKGMO-FQEVSTJZSA-N 1 2 338.451 3.713 20 0 EHADLO Brc1ccccc1CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878977266 1137734032 /nfs/dbraw/zinc/73/40/32/1137734032.db2.gz KASFOMBCPADJQI-OAHLLOKOSA-N 1 2 332.245 3.619 20 0 EHADLO Brc1ccccc1CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878977266 1137734033 /nfs/dbraw/zinc/73/40/33/1137734033.db2.gz KASFOMBCPADJQI-OAHLLOKOSA-N 1 2 332.245 3.619 20 0 EHADLO Cc1cc2scc(CC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)c2s1 ZINC000879297923 1137743828 /nfs/dbraw/zinc/74/38/28/1137743828.db2.gz SLAVYLCBBWBIPJ-GFCCVEGCSA-N 1 2 345.493 3.563 20 0 EHADLO CC[C@H]([NH2+]Cc1ccsc1C(=O)OC)c1cccc(OC)c1OC ZINC000879464632 1137748408 /nfs/dbraw/zinc/74/84/08/1137748408.db2.gz PQIILSPDOFIQAE-AWEZNQCLSA-N 1 2 349.452 3.793 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379371 1137750127 /nfs/dbraw/zinc/75/01/27/1137750127.db2.gz MPWBZYSNVJYOTO-CFUXTEHNSA-N 1 2 346.474 3.648 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CCO1 ZINC000879629202 1137752821 /nfs/dbraw/zinc/75/28/21/1137752821.db2.gz IXYNRCVSBUASEY-WFASDCNBSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CCO1 ZINC000879629202 1137752822 /nfs/dbraw/zinc/75/28/22/1137752822.db2.gz IXYNRCVSBUASEY-WFASDCNBSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000879730401 1137756769 /nfs/dbraw/zinc/75/67/69/1137756769.db2.gz AQWGNFQZYHPZLM-GFCCVEGCSA-N 1 2 337.370 3.786 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000879730401 1137756770 /nfs/dbraw/zinc/75/67/70/1137756770.db2.gz AQWGNFQZYHPZLM-GFCCVEGCSA-N 1 2 337.370 3.786 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1sc2cccc(F)c2c1Cl ZINC000879927967 1137762697 /nfs/dbraw/zinc/76/26/97/1137762697.db2.gz IFMKZVNKJOSHSI-VIFPVBQESA-N 1 2 349.818 3.635 20 0 EHADLO Cc1nc(CC[N@H+](c2ccc(N3CCOCC3)cc2)C(C)C)cs1 ZINC000128087963 1137762824 /nfs/dbraw/zinc/76/28/24/1137762824.db2.gz GWWQXAWLBSTBAR-UHFFFAOYSA-N 1 2 345.512 3.746 20 0 EHADLO Cc1nc(CC[N@@H+](c2ccc(N3CCOCC3)cc2)C(C)C)cs1 ZINC000128087963 1137762825 /nfs/dbraw/zinc/76/28/25/1137762825.db2.gz GWWQXAWLBSTBAR-UHFFFAOYSA-N 1 2 345.512 3.746 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000880007390 1137764985 /nfs/dbraw/zinc/76/49/85/1137764985.db2.gz GPLHEZBCQIDBDX-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000880007390 1137764986 /nfs/dbraw/zinc/76/49/86/1137764986.db2.gz GPLHEZBCQIDBDX-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+][C@@]3(c4ccccc4)C[C@@H](O)C3)o2)cc1 ZINC000880225039 1137771450 /nfs/dbraw/zinc/77/14/50/1137771450.db2.gz ONXIJXANCGYLEI-RVWIWJKTSA-N 1 2 334.419 3.790 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000880378013 1137777073 /nfs/dbraw/zinc/77/70/73/1137777073.db2.gz LSLGFZJDPVTPHV-ZDUSSCGKSA-N 1 2 344.484 3.618 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000880378013 1137777074 /nfs/dbraw/zinc/77/70/74/1137777074.db2.gz LSLGFZJDPVTPHV-ZDUSSCGKSA-N 1 2 344.484 3.618 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3CCc4ccsc4[C@H]3C)n2)c1 ZINC000880377514 1137777106 /nfs/dbraw/zinc/77/71/06/1137777106.db2.gz XZOCRKMXQUVHQH-GFCCVEGCSA-N 1 2 326.425 3.621 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3CCc4ccsc4[C@H]3C)n2)c1 ZINC000880377514 1137777107 /nfs/dbraw/zinc/77/71/07/1137777107.db2.gz XZOCRKMXQUVHQH-GFCCVEGCSA-N 1 2 326.425 3.621 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000626134218 1137791175 /nfs/dbraw/zinc/79/11/75/1137791175.db2.gz CNRSSYFWQZOMFE-WMLDXEAASA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000626134218 1137791176 /nfs/dbraw/zinc/79/11/76/1137791176.db2.gz CNRSSYFWQZOMFE-WMLDXEAASA-N 1 2 329.444 3.717 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000128648753 1137791287 /nfs/dbraw/zinc/79/12/87/1137791287.db2.gz BFBDPIGIVQYKGJ-UHFFFAOYSA-N 1 2 344.406 3.844 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000128648753 1137791288 /nfs/dbraw/zinc/79/12/88/1137791288.db2.gz BFBDPIGIVQYKGJ-UHFFFAOYSA-N 1 2 344.406 3.844 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2(C)C)cc1 ZINC000881658707 1137813000 /nfs/dbraw/zinc/81/30/00/1137813000.db2.gz HSBMJXUZJXYUSK-MSOLQXFVSA-N 1 2 337.467 3.549 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000888903998 1137819959 /nfs/dbraw/zinc/81/99/59/1137819959.db2.gz GSCCNHFVLYAROJ-IPMKNSEASA-N 1 2 337.467 3.678 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[NH+]1CCCCCC1 ZINC000025408179 1137831383 /nfs/dbraw/zinc/83/13/83/1137831383.db2.gz WTDINYZWPQKZKW-QMMMGPOBSA-N 1 2 336.304 3.585 20 0 EHADLO C[C@@H]1[C@H](C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1c1ccccc1 ZINC000882871503 1137836148 /nfs/dbraw/zinc/83/61/48/1137836148.db2.gz IINUBQDUXKNYMD-DVWBAYGPSA-N 1 2 345.446 3.790 20 0 EHADLO CC(C)(CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000882871737 1137836270 /nfs/dbraw/zinc/83/62/70/1137836270.db2.gz NFZNJSCKQPBFES-AWEZNQCLSA-N 1 2 339.361 3.719 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872528 1137836334 /nfs/dbraw/zinc/83/63/34/1137836334.db2.gz HCKOFXHYDQTECB-QFBILLFUSA-N 1 2 341.455 3.526 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(C(C)C)c[nH]1)O[C@H](C)C2 ZINC000882880989 1137836575 /nfs/dbraw/zinc/83/65/75/1137836575.db2.gz SFBNPNPCZJEQIL-CYBMUJFWSA-N 1 2 329.444 3.545 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1nc2ccccc2n1C(F)F ZINC000882885163 1137836936 /nfs/dbraw/zinc/83/69/36/1137836936.db2.gz LUJVPFQDENIDET-SECBINFHSA-N 1 2 339.777 3.669 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3ccsc3[C@@H]2C)c1C ZINC000883247993 1137850344 /nfs/dbraw/zinc/85/03/44/1137850344.db2.gz DNFYYDRWYVLLNR-ZDUSSCGKSA-N 1 2 345.468 3.597 20 0 EHADLO Cc1nc(COc2ccc(NCc3c[nH+]c4c(C)cccn34)cc2)no1 ZINC000131506118 1137854589 /nfs/dbraw/zinc/85/45/89/1137854589.db2.gz KCTNAEQPJAVWJB-UHFFFAOYSA-N 1 2 349.394 3.525 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1[C@H](C)c1ccccc1 ZINC000131555045 1137855782 /nfs/dbraw/zinc/85/57/82/1137855782.db2.gz JMSYTAVMYAWLPV-VQIMIIECSA-N 1 2 340.467 3.618 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1[C@H](C)c1ccccc1 ZINC000131555045 1137855783 /nfs/dbraw/zinc/85/57/83/1137855783.db2.gz JMSYTAVMYAWLPV-VQIMIIECSA-N 1 2 340.467 3.618 20 0 EHADLO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000131735891 1137859856 /nfs/dbraw/zinc/85/98/56/1137859856.db2.gz BCCFWXSLOIEVDE-UHFFFAOYSA-N 1 2 335.448 3.660 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000883683508 1137867149 /nfs/dbraw/zinc/86/71/49/1137867149.db2.gz BNXJQMKTSCYTAS-UHFFFAOYSA-N 1 2 339.439 3.584 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132703790 1137868581 /nfs/dbraw/zinc/86/85/81/1137868581.db2.gz ARDBSNIXGCDARL-BXUZGUMPSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132703790 1137868582 /nfs/dbraw/zinc/86/85/82/1137868582.db2.gz ARDBSNIXGCDARL-BXUZGUMPSA-N 1 2 336.432 3.640 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865133 1137871869 /nfs/dbraw/zinc/87/18/69/1137871869.db2.gz QMSWXGUPHGUHHW-UHFFFAOYSA-N 1 2 349.887 3.882 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103077661 1137875144 /nfs/dbraw/zinc/87/51/44/1137875144.db2.gz MWSDRMGUTHBVJI-IBGZPJMESA-N 1 2 325.456 3.877 20 0 EHADLO O=C(NCC1(CC2CC2)CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883860770 1137875591 /nfs/dbraw/zinc/87/55/91/1137875591.db2.gz KNWRTESOMYPPJM-SFHVURJKSA-N 1 2 338.455 3.504 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)N(Cc1ccco1)c1ccccc1 ZINC000104674726 1137879143 /nfs/dbraw/zinc/87/91/43/1137879143.db2.gz LNJPGINFUGRZFF-FQEVSTJZSA-N 1 2 349.434 3.978 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)N(Cc1ccco1)c1ccccc1 ZINC000104674726 1137879144 /nfs/dbraw/zinc/87/91/44/1137879144.db2.gz LNJPGINFUGRZFF-FQEVSTJZSA-N 1 2 349.434 3.978 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc2ccc(=O)[nH]c21 ZINC000348257445 1137885352 /nfs/dbraw/zinc/88/53/52/1137885352.db2.gz YKDWYPMPSDUTDP-UHFFFAOYSA-N 1 2 330.347 3.583 20 0 EHADLO FC(F)(F)c1ccc(N2CC[NH+](Cc3ccco3)CC2)nc1Cl ZINC000883999097 1137890163 /nfs/dbraw/zinc/89/01/63/1137890163.db2.gz CHZLZVYZSXNOSU-UHFFFAOYSA-N 1 2 345.752 3.669 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000108791191 1137890554 /nfs/dbraw/zinc/89/05/54/1137890554.db2.gz RZXPTYPPEKJJNE-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(Cl)cc1)NC1CCCCC1 ZINC001202621624 1137890717 /nfs/dbraw/zinc/89/07/17/1137890717.db2.gz JDFROFSGXBFFIE-UHFFFAOYSA-N 1 2 346.862 3.717 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000111376366 1137904318 /nfs/dbraw/zinc/90/43/18/1137904318.db2.gz WICNXYRLKJHKER-RYUDHWBXSA-N 1 2 335.448 3.831 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cs1 ZINC000111375858 1137904346 /nfs/dbraw/zinc/90/43/46/1137904346.db2.gz UXHRZPMKAHNWDJ-MJBXVCDLSA-N 1 2 343.496 3.722 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000111375569 1137904427 /nfs/dbraw/zinc/90/44/27/1137904427.db2.gz ODLSAMHCLPGTLL-RYUDHWBXSA-N 1 2 335.448 3.831 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000111375575 1137904442 /nfs/dbraw/zinc/90/44/42/1137904442.db2.gz ODLSAMHCLPGTLL-NWDGAFQWSA-N 1 2 335.448 3.831 20 0 EHADLO Cc1ccc2c(Nc3ccc(N4C(=O)C=CC4=O)cc3)cccc2[nH+]1 ZINC001212798287 1137909382 /nfs/dbraw/zinc/90/93/82/1137909382.db2.gz CMYPPJSFHJCSQK-UHFFFAOYSA-N 1 2 329.359 3.716 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644558 1137915873 /nfs/dbraw/zinc/91/58/73/1137915873.db2.gz QZCUIJODVDPKRC-BBRMVZONSA-N 1 2 329.444 3.959 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644558 1137915874 /nfs/dbraw/zinc/91/58/74/1137915874.db2.gz QZCUIJODVDPKRC-BBRMVZONSA-N 1 2 329.444 3.959 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(C)[nH+]1 ZINC000331703706 1137917619 /nfs/dbraw/zinc/91/76/19/1137917619.db2.gz WNPLVVPSPANZPT-KRWDZBQOSA-N 1 2 338.455 3.655 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1(C)C ZINC000331775998 1137920048 /nfs/dbraw/zinc/92/00/48/1137920048.db2.gz FBBIEMPUQUVUIV-OAHLLOKOSA-N 1 2 340.471 3.944 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000115408294 1137921987 /nfs/dbraw/zinc/92/19/87/1137921987.db2.gz LKKQLZVELDUENC-IBGZPJMESA-N 1 2 348.450 3.762 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000115778005 1137923314 /nfs/dbraw/zinc/92/33/14/1137923314.db2.gz JGRMPEXTGYQJPV-UHFFFAOYSA-N 1 2 342.443 3.929 20 0 EHADLO CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1cccnc1 ZINC000133953843 1137927228 /nfs/dbraw/zinc/92/72/28/1137927228.db2.gz NBECLWADNWWUDG-UHFFFAOYSA-N 1 2 331.489 3.720 20 0 EHADLO CCC(C)(C)C1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000331981102 1137927707 /nfs/dbraw/zinc/92/77/07/1137927707.db2.gz USJKHRGKTCEWAB-GTPINHCMSA-N 1 2 346.519 3.914 20 0 EHADLO Cc1cc(C)c(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000332075509 1137930948 /nfs/dbraw/zinc/93/09/48/1137930948.db2.gz WNRKCNROHSVQCO-GOSISDBHSA-N 1 2 339.439 3.521 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1cnn(C)c1 ZINC000348311432 1137934214 /nfs/dbraw/zinc/93/42/14/1137934214.db2.gz CFGUIXNEVQMEAV-GHMZBOCLSA-N 1 2 331.807 3.535 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000118830213 1137935593 /nfs/dbraw/zinc/93/55/93/1137935593.db2.gz VDTGVYCUYXXLRN-CYBMUJFWSA-N 1 2 326.843 3.730 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000118830213 1137935594 /nfs/dbraw/zinc/93/55/94/1137935594.db2.gz VDTGVYCUYXXLRN-CYBMUJFWSA-N 1 2 326.843 3.730 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000332343753 1137940880 /nfs/dbraw/zinc/94/08/80/1137940880.db2.gz WLZYGOXZKVULNL-UHFFFAOYSA-N 1 2 346.818 3.677 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000332343753 1137940881 /nfs/dbraw/zinc/94/08/81/1137940881.db2.gz WLZYGOXZKVULNL-UHFFFAOYSA-N 1 2 346.818 3.677 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000332369898 1137941852 /nfs/dbraw/zinc/94/18/52/1137941852.db2.gz FFIVDZVHSIWFGM-ZDUSSCGKSA-N 1 2 328.416 3.529 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000332369898 1137941853 /nfs/dbraw/zinc/94/18/53/1137941853.db2.gz FFIVDZVHSIWFGM-ZDUSSCGKSA-N 1 2 328.416 3.529 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120085143 1137946522 /nfs/dbraw/zinc/94/65/22/1137946522.db2.gz ZRTHDAYEOAKIIV-ZDUSSCGKSA-N 1 2 349.862 3.536 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120085143 1137946523 /nfs/dbraw/zinc/94/65/23/1137946523.db2.gz ZRTHDAYEOAKIIV-ZDUSSCGKSA-N 1 2 349.862 3.536 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332585739 1137947876 /nfs/dbraw/zinc/94/78/76/1137947876.db2.gz JVBHVDITHRWAGC-KHYOSLBOSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332585739 1137947877 /nfs/dbraw/zinc/94/78/77/1137947877.db2.gz JVBHVDITHRWAGC-KHYOSLBOSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000120812614 1137952535 /nfs/dbraw/zinc/95/25/35/1137952535.db2.gz NFFSWZDHOCGXCF-BBRMVZONSA-N 1 2 332.835 3.960 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282916951 1137952906 /nfs/dbraw/zinc/95/29/06/1137952906.db2.gz YETLRXVMZDHCKR-MRXNPFEDSA-N 1 2 348.450 3.721 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333106354 1137955480 /nfs/dbraw/zinc/95/54/80/1137955480.db2.gz DNXKEZUOQKLTDY-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333106354 1137955481 /nfs/dbraw/zinc/95/54/81/1137955481.db2.gz DNXKEZUOQKLTDY-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333132608 1137956213 /nfs/dbraw/zinc/95/62/13/1137956213.db2.gz IYIIVIXUFNTIFQ-RDJZCZTQSA-N 1 2 344.503 3.687 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222900 1137989214 /nfs/dbraw/zinc/98/92/14/1137989214.db2.gz NSIDHLAFQJBTJC-WOJBJXKFSA-N 1 2 335.451 3.582 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885243210 1137991398 /nfs/dbraw/zinc/99/13/98/1137991398.db2.gz ZQWKUMPCBLTJFY-INIZCTEOSA-N 1 2 337.876 3.612 20 0 EHADLO C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000885249082 1137992193 /nfs/dbraw/zinc/99/21/93/1137992193.db2.gz XVNZZLHSYJMTHW-SFHVURJKSA-N 1 2 325.437 3.862 20 0 EHADLO Clc1cccc2ccc(C[NH+]3CCN(c4cccnc4)CC3)nc12 ZINC001137221322 1138022948 /nfs/dbraw/zinc/02/29/48/1138022948.db2.gz LIRLGQPLSNIXDY-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1C2CCCC1CCC2 ZINC000890259762 1138041631 /nfs/dbraw/zinc/04/16/31/1138041631.db2.gz BYUKCWFGDPGDQC-CTWPCTMYSA-N 1 2 338.455 3.741 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000057871764 1138060843 /nfs/dbraw/zinc/06/08/43/1138060843.db2.gz YNPYJVTXNCVLTA-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000057871764 1138060844 /nfs/dbraw/zinc/06/08/44/1138060844.db2.gz YNPYJVTXNCVLTA-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Oc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000067245906 1138080511 /nfs/dbraw/zinc/08/05/11/1138080511.db2.gz UCDHSJIXBJEIQB-LJQANCHMSA-N 1 2 340.423 3.634 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000886542957 1138093772 /nfs/dbraw/zinc/09/37/72/1138093772.db2.gz IKJGZWNCKIEOAV-SUMWQHHRSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000886542957 1138093774 /nfs/dbraw/zinc/09/37/74/1138093774.db2.gz IKJGZWNCKIEOAV-SUMWQHHRSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)[C@@H]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000886601381 1138100619 /nfs/dbraw/zinc/10/06/19/1138100619.db2.gz QZQTYZFLROROKZ-WBVHZDCISA-N 1 2 339.439 3.640 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(Br)ncc1F ZINC000886684841 1138115004 /nfs/dbraw/zinc/11/50/04/1138115004.db2.gz UGPCZPIMLBJSBR-MRVPVSSYSA-N 1 2 340.196 3.699 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000077274545 1138138289 /nfs/dbraw/zinc/13/82/89/1138138289.db2.gz ZIDJDGVESBIRNB-BQFCYCMXSA-N 1 2 343.471 3.526 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000078685998 1138151220 /nfs/dbraw/zinc/15/12/20/1138151220.db2.gz DYELULUVBIJTKC-UHFFFAOYSA-N 1 2 335.860 3.647 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000080015903 1138160114 /nfs/dbraw/zinc/16/01/14/1138160114.db2.gz BVTQODAHMNPJGX-QAPCUYQASA-N 1 2 326.444 3.502 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000080914148 1138164767 /nfs/dbraw/zinc/16/47/67/1138164767.db2.gz CSFOFXWGEJGAMF-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000080914148 1138164769 /nfs/dbraw/zinc/16/47/69/1138164769.db2.gz CSFOFXWGEJGAMF-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO CC[N@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1cccc(O)c1 ZINC000080932767 1138165023 /nfs/dbraw/zinc/16/50/23/1138165023.db2.gz MQBJYATWZICFNL-LBPRGKRZSA-N 1 2 327.350 3.734 20 0 EHADLO CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1cccc(O)c1 ZINC000080932767 1138165025 /nfs/dbraw/zinc/16/50/25/1138165025.db2.gz MQBJYATWZICFNL-LBPRGKRZSA-N 1 2 327.350 3.734 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H]2CCc3c2cccc3F)cs1 ZINC000886921844 1138172772 /nfs/dbraw/zinc/17/27/72/1138172772.db2.gz GMPMDSNAZCSJOH-INIZCTEOSA-N 1 2 348.443 3.553 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(Cc2cnccc2Cl)CC1 ZINC001137235562 1138183656 /nfs/dbraw/zinc/18/36/56/1138183656.db2.gz UFJWXQGOSIKKRM-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(C)c(C)s3)CC2)cc1 ZINC000088575648 1138194652 /nfs/dbraw/zinc/19/46/52/1138194652.db2.gz LKAPVSIOOQCTAZ-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO c1ccc(C[N@H+]2CCC[C@H]2c2nc(COc3ccccc3)no2)cc1 ZINC000089643843 1138202951 /nfs/dbraw/zinc/20/29/51/1138202951.db2.gz UJWSKPBJLBUERZ-SFHVURJKSA-N 1 2 335.407 3.986 20 0 EHADLO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(COc3ccccc3)no2)cc1 ZINC000089643843 1138202954 /nfs/dbraw/zinc/20/29/54/1138202954.db2.gz UJWSKPBJLBUERZ-SFHVURJKSA-N 1 2 335.407 3.986 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000091081759 1138215822 /nfs/dbraw/zinc/21/58/22/1138215822.db2.gz DCOSOYGMKQLTFR-MRXNPFEDSA-N 1 2 339.468 3.882 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000091081759 1138215823 /nfs/dbraw/zinc/21/58/23/1138215823.db2.gz DCOSOYGMKQLTFR-MRXNPFEDSA-N 1 2 339.468 3.882 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(C)n2-c2ccccc2)cc1O ZINC000092405033 1138227188 /nfs/dbraw/zinc/22/71/88/1138227188.db2.gz HXYIASGIAYQUPH-UHFFFAOYSA-N 1 2 337.423 3.527 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(C)n2-c2ccccc2)cc1O ZINC000092405033 1138227189 /nfs/dbraw/zinc/22/71/89/1138227189.db2.gz HXYIASGIAYQUPH-UHFFFAOYSA-N 1 2 337.423 3.527 20 0 EHADLO C[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccc(Cl)cc1 ZINC000092896508 1138232713 /nfs/dbraw/zinc/23/27/13/1138232713.db2.gz BKEYHENLTFKICN-OAHLLOKOSA-N 1 2 345.874 3.969 20 0 EHADLO Fc1cc(F)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000093842483 1138241772 /nfs/dbraw/zinc/24/17/72/1138241772.db2.gz XHVUWKFHTVCZPU-OAHLLOKOSA-N 1 2 343.389 3.654 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000093865573 1138242229 /nfs/dbraw/zinc/24/22/29/1138242229.db2.gz LCJKTGVIEGELAL-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000093865573 1138242231 /nfs/dbraw/zinc/24/22/31/1138242231.db2.gz LCJKTGVIEGELAL-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000093865521 1138242289 /nfs/dbraw/zinc/24/22/89/1138242289.db2.gz HZWYSWUXEJNYLY-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000093865521 1138242291 /nfs/dbraw/zinc/24/22/91/1138242291.db2.gz HZWYSWUXEJNYLY-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc(F)c1 ZINC000122342840 1138257428 /nfs/dbraw/zinc/25/74/28/1138257428.db2.gz ZDDDKXCGZQRIIU-UHFFFAOYSA-N 1 2 328.391 3.533 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122750346 1138261330 /nfs/dbraw/zinc/26/13/30/1138261330.db2.gz YFIFIUPTOLTLTA-HDMKZQKVSA-N 1 2 329.419 3.626 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]C[C@H]3CCCO3)c3ccccc3)n2)cc1 ZINC000122934603 1138264433 /nfs/dbraw/zinc/26/44/33/1138264433.db2.gz KMJJTQHGMFOGQK-MSOLQXFVSA-N 1 2 335.407 3.595 20 0 EHADLO C[C@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123424895 1138270101 /nfs/dbraw/zinc/27/01/01/1138270101.db2.gz YQQXILBAFBNKOI-JXFKEZNVSA-N 1 2 346.434 3.668 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000348413997 1138273476 /nfs/dbraw/zinc/27/34/76/1138273476.db2.gz UOFHUAPBOJGEBP-UHFFFAOYSA-N 1 2 337.265 3.562 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000348413997 1138273479 /nfs/dbraw/zinc/27/34/79/1138273479.db2.gz UOFHUAPBOJGEBP-UHFFFAOYSA-N 1 2 337.265 3.562 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123865339 1138275500 /nfs/dbraw/zinc/27/55/00/1138275500.db2.gz FURBUGYAOBNQOQ-HZPDHXFCSA-N 1 2 327.428 3.727 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124468743 1138287408 /nfs/dbraw/zinc/28/74/08/1138287408.db2.gz KVGDGVNWVURCSQ-NHYWBVRUSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000125391536 1138307642 /nfs/dbraw/zinc/30/76/42/1138307642.db2.gz UEFVYUGJLVVJBG-BBRMVZONSA-N 1 2 346.500 3.570 20 0 EHADLO FC(F)Oc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125476838 1138310012 /nfs/dbraw/zinc/31/00/12/1138310012.db2.gz WAQIZHHIRYQONZ-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125476838 1138310016 /nfs/dbraw/zinc/31/00/16/1138310016.db2.gz WAQIZHHIRYQONZ-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000125528305 1138310729 /nfs/dbraw/zinc/31/07/29/1138310729.db2.gz ZEFICZPKFKOCNR-UHFFFAOYSA-N 1 2 330.432 3.533 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+]Cc2nc(C)cs2)cc1Cl ZINC000126272297 1138327669 /nfs/dbraw/zinc/32/76/69/1138327669.db2.gz ZECBOUWCOQYGIR-SNVBAGLBSA-N 1 2 326.849 3.973 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C2CC2)cc1 ZINC000263718446 1138348963 /nfs/dbraw/zinc/34/89/63/1138348963.db2.gz AOOGTWLXKGJBFS-GOSISDBHSA-N 1 2 338.455 3.758 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000127238839 1138350526 /nfs/dbraw/zinc/35/05/26/1138350526.db2.gz BXZDJOPPPXYYSN-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128461634 1138390122 /nfs/dbraw/zinc/39/01/22/1138390122.db2.gz CDWRKMIAMXLMJU-WBVHZDCISA-N 1 2 342.443 3.785 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2C1 ZINC000263909571 1138390823 /nfs/dbraw/zinc/39/08/23/1138390823.db2.gz BERZDYYPMAQQAX-CHWSQXEVSA-N 1 2 329.469 3.616 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000128850305 1138399213 /nfs/dbraw/zinc/39/92/13/1138399213.db2.gz FYHBLYJXBGPBLS-RDTXWAMCSA-N 1 2 342.443 3.705 20 0 EHADLO CC(C)c1cc(N[C@@H](C(N)=O)c2ccc(F)cc2)nc(C(C)C)[nH+]1 ZINC000129580583 1138414873 /nfs/dbraw/zinc/41/48/73/1138414873.db2.gz IASBNFDCDWLKBC-MRXNPFEDSA-N 1 2 330.407 3.501 20 0 EHADLO Cc1ccccc1C1(C(=O)NCCCCNc2cccc[nH+]2)CCC1 ZINC000336881620 1138420346 /nfs/dbraw/zinc/42/03/46/1138420346.db2.gz BEIAHCRZERNNPT-UHFFFAOYSA-N 1 2 337.467 3.820 20 0 EHADLO CCN1CC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@@H]1c1ncc[nH]1 ZINC000348438011 1138424190 /nfs/dbraw/zinc/42/41/90/1138424190.db2.gz DWUJOOJFIZPNSE-SWLSCSKDSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@@H]1c1ncc[nH]1 ZINC000348438011 1138424191 /nfs/dbraw/zinc/42/41/91/1138424191.db2.gz DWUJOOJFIZPNSE-SWLSCSKDSA-N 1 2 336.842 3.642 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842885 1138424888 /nfs/dbraw/zinc/42/48/88/1138424888.db2.gz KDUZLCJNCBDQAX-SUMWQHHRSA-N 1 2 341.455 3.598 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842885 1138424889 /nfs/dbraw/zinc/42/48/89/1138424889.db2.gz KDUZLCJNCBDQAX-SUMWQHHRSA-N 1 2 341.455 3.598 20 0 EHADLO CCCN(CCC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264215401 1138445297 /nfs/dbraw/zinc/44/52/97/1138445297.db2.gz IHOJYMSWWQTDRA-MRXNPFEDSA-N 1 2 333.476 3.734 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000264220635 1138446552 /nfs/dbraw/zinc/44/65/52/1138446552.db2.gz UIRRMYDIDNSVMC-UHFFFAOYSA-N 1 2 326.444 3.553 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264230802 1138449088 /nfs/dbraw/zinc/44/90/88/1138449088.db2.gz LBHZNIJVSWIVPB-JKSUJKDBSA-N 1 2 333.476 3.732 20 0 EHADLO COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000337040995 1138454177 /nfs/dbraw/zinc/45/41/77/1138454177.db2.gz KHCLAGQULXORHE-CQSZACIVSA-N 1 2 337.423 3.859 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000337122597 1138471454 /nfs/dbraw/zinc/47/14/54/1138471454.db2.gz AWJZMEDLWPFDIJ-SFHVURJKSA-N 1 2 349.409 3.700 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C)c3nc(CC)no3)CC2)cc1 ZINC000130831650 1138479702 /nfs/dbraw/zinc/47/97/02/1138479702.db2.gz PGYCORKPVDTVNW-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)c3nc(CC)no3)CC2)cc1 ZINC000130831650 1138479705 /nfs/dbraw/zinc/47/97/05/1138479705.db2.gz PGYCORKPVDTVNW-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO CC1(C)CC[C@@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337163926 1138483222 /nfs/dbraw/zinc/48/32/22/1138483222.db2.gz WKVRLUYEDZGHAD-HZPDHXFCSA-N 1 2 329.488 3.752 20 0 EHADLO c1nc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n(-c2ccccc2)n1 ZINC000337162749 1138483226 /nfs/dbraw/zinc/48/32/26/1138483226.db2.gz VYMGGHTVMKPILW-HXUWFJFHSA-N 1 2 330.435 3.919 20 0 EHADLO c1nc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n(-c2ccccc2)n1 ZINC000337162749 1138483227 /nfs/dbraw/zinc/48/32/27/1138483227.db2.gz VYMGGHTVMKPILW-HXUWFJFHSA-N 1 2 330.435 3.919 20 0 EHADLO CC(C)n1cccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000130906731 1138483494 /nfs/dbraw/zinc/48/34/94/1138483494.db2.gz WDJZHVQUPRBLML-UHFFFAOYSA-N 1 2 332.473 3.764 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131258762 1138505105 /nfs/dbraw/zinc/50/51/05/1138505105.db2.gz DVGNEEAQNKVQJY-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131258762 1138505110 /nfs/dbraw/zinc/50/51/10/1138505110.db2.gz DVGNEEAQNKVQJY-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO Cc1cncc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000337270896 1138514646 /nfs/dbraw/zinc/51/46/46/1138514646.db2.gz BHUWXGBDSGQMRW-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO COc1c(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c(C)nn1C ZINC000337342347 1138538952 /nfs/dbraw/zinc/53/89/52/1138538952.db2.gz IPFWINANZHXRBS-CYBMUJFWSA-N 1 2 342.468 3.711 20 0 EHADLO CC(C)OCc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000264532230 1138549615 /nfs/dbraw/zinc/54/96/15/1138549615.db2.gz FLVLHIRUHSOONU-UHFFFAOYSA-N 1 2 341.455 3.629 20 0 EHADLO Cc1nc(CC[N@@H+](C)Cc2csc(Nc3ccccc3C)n2)no1 ZINC000264567209 1138561004 /nfs/dbraw/zinc/56/10/04/1138561004.db2.gz RZQOXOFYUWDOCN-UHFFFAOYSA-N 1 2 343.456 3.561 20 0 EHADLO Cc1nc(CC[N@H+](C)Cc2csc(Nc3ccccc3C)n2)no1 ZINC000264567209 1138561006 /nfs/dbraw/zinc/56/10/06/1138561006.db2.gz RZQOXOFYUWDOCN-UHFFFAOYSA-N 1 2 343.456 3.561 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4ccc(C)cc4)CCOCC3)ccc2[nH+]1 ZINC000264683925 1138603611 /nfs/dbraw/zinc/60/36/11/1138603611.db2.gz LNABJAMATRLHRN-UHFFFAOYSA-N 1 2 349.434 3.638 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264690116 1138605998 /nfs/dbraw/zinc/60/59/98/1138605998.db2.gz CVOPGFYZNDRDTG-GJZGRUSLSA-N 1 2 342.443 3.999 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337581509 1138612825 /nfs/dbraw/zinc/61/28/25/1138612825.db2.gz JDNWJYGSWDQAQP-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO O=C(Nc1ccc(Br)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264718268 1138616212 /nfs/dbraw/zinc/61/62/12/1138616212.db2.gz KTHUTRZLXVFPAK-NSHDSACASA-N 1 2 349.232 3.584 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1Cl ZINC000337610012 1138620306 /nfs/dbraw/zinc/62/03/06/1138620306.db2.gz XPGPLBACKNICDA-MRXNPFEDSA-N 1 2 332.806 3.574 20 0 EHADLO CCO[C@H](CCNc1[nH+]cnc2c1cnn2-c1ccccc1)C(C)C ZINC000337633540 1138628049 /nfs/dbraw/zinc/62/80/49/1138628049.db2.gz ZYFORNKNPZZOFD-QGZVFWFLSA-N 1 2 339.443 3.679 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000337666857 1138638279 /nfs/dbraw/zinc/63/82/79/1138638279.db2.gz MRXRLUNLVMPARI-LSDHHAIUSA-N 1 2 332.398 3.792 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000337911891 1138696851 /nfs/dbraw/zinc/69/68/51/1138696851.db2.gz JXOADRMNILSRKM-GFCCVEGCSA-N 1 2 334.210 3.770 20 0 EHADLO O=C(Nc1cccc2ccsc21)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000338004565 1138721183 /nfs/dbraw/zinc/72/11/83/1138721183.db2.gz VEUVTKZYTCSNFZ-CQSZACIVSA-N 1 2 338.436 3.697 20 0 EHADLO Brc1cc(CNc2ccc(N3CCCC3)c[nH+]2)cs1 ZINC000338139985 1138763947 /nfs/dbraw/zinc/76/39/47/1138763947.db2.gz LMAZZGKDMWLFDE-UHFFFAOYSA-N 1 2 338.274 3.540 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000338205113 1138786974 /nfs/dbraw/zinc/78/69/74/1138786974.db2.gz QGOZYGQSLJGZRR-QGZVFWFLSA-N 1 2 327.472 3.609 20 0 EHADLO CC(C)(CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000338222930 1138792878 /nfs/dbraw/zinc/79/28/78/1138792878.db2.gz WIVHBCBGNKKLDU-UHFFFAOYSA-N 1 2 325.456 3.874 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(-c2cccs2)c1 ZINC000338254487 1138802549 /nfs/dbraw/zinc/80/25/49/1138802549.db2.gz VITLCLACPJFXPL-CYBMUJFWSA-N 1 2 326.425 3.822 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338259953 1138804731 /nfs/dbraw/zinc/80/47/31/1138804731.db2.gz CUOVRRDYCSAKRO-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000137233664 1138840330 /nfs/dbraw/zinc/84/03/30/1138840330.db2.gz ULKOUHGPKMHHIA-MRXNPFEDSA-N 1 2 334.851 3.719 20 0 EHADLO CC[N@@H+](Cc1csc(C(C)C)n1)C[C@H]1COc2ccccc2O1 ZINC000338351310 1138847854 /nfs/dbraw/zinc/84/78/54/1138847854.db2.gz IYHWLSYSFYXPEA-HNNXBMFYSA-N 1 2 332.469 3.928 20 0 EHADLO CC[N@H+](Cc1csc(C(C)C)n1)C[C@H]1COc2ccccc2O1 ZINC000338351310 1138847858 /nfs/dbraw/zinc/84/78/58/1138847858.db2.gz IYHWLSYSFYXPEA-HNNXBMFYSA-N 1 2 332.469 3.928 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000338353179 1138848836 /nfs/dbraw/zinc/84/88/36/1138848836.db2.gz KDNFVOFJEMCIOX-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000338353179 1138848843 /nfs/dbraw/zinc/84/88/43/1138848843.db2.gz KDNFVOFJEMCIOX-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO Cc1cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)nc(C2CC2)[nH+]1 ZINC000265398791 1138856879 /nfs/dbraw/zinc/85/68/79/1138856879.db2.gz XHUCFBPQHYXOPV-CYBMUJFWSA-N 1 2 338.411 3.792 20 0 EHADLO CCC(C)(C)OCc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338421685 1138906915 /nfs/dbraw/zinc/90/69/15/1138906915.db2.gz JVTQZIQBWUHWIR-UHFFFAOYSA-N 1 2 342.443 3.521 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c2ccccc2n1 ZINC000265485451 1138921475 /nfs/dbraw/zinc/92/14/75/1138921475.db2.gz IVIJUXZEHPMZDV-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c2ccccc2n1 ZINC000265485451 1138921479 /nfs/dbraw/zinc/92/14/79/1138921479.db2.gz IVIJUXZEHPMZDV-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3cccc(C)c3C)CCC2)n1 ZINC000265540647 1138953662 /nfs/dbraw/zinc/95/36/62/1138953662.db2.gz WRZJXEYZJAINJN-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000153649756 1139146328 /nfs/dbraw/zinc/14/63/28/1139146328.db2.gz LEMXVFSFQGLOKQ-HHXXYDBFSA-N 1 2 340.471 3.854 20 0 EHADLO Cc1csc(CNC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000889158405 1139172666 /nfs/dbraw/zinc/17/26/66/1139172666.db2.gz LTLJOYIXVIBMRZ-SHTZXODSSA-N 1 2 344.484 3.674 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000890400016 1139354997 /nfs/dbraw/zinc/35/49/97/1139354997.db2.gz FAELPRLSKCFBIO-SFHVURJKSA-N 1 2 340.471 3.566 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccs1 ZINC000174912649 1139450208 /nfs/dbraw/zinc/45/02/08/1139450208.db2.gz LQFGAOCNCIOVHZ-UHFFFAOYSA-N 1 2 329.469 3.522 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1)c1ccccc1 ZINC000175167737 1139469089 /nfs/dbraw/zinc/46/90/89/1139469089.db2.gz AKAQRERTRJSSAW-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1)c1ccccc1 ZINC000175167737 1139469092 /nfs/dbraw/zinc/46/90/92/1139469092.db2.gz AKAQRERTRJSSAW-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)C1(CC)CC ZINC000777290273 1139472532 /nfs/dbraw/zinc/47/25/32/1139472532.db2.gz MNSVZHBKEHQAEF-JKSUJKDBSA-N 1 2 338.517 3.703 20 0 EHADLO CCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175735668 1139514249 /nfs/dbraw/zinc/51/42/49/1139514249.db2.gz ADKCORYMNXKADV-HUUCEWRRSA-N 1 2 333.476 3.606 20 0 EHADLO Cc1cscc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000176125630 1139541301 /nfs/dbraw/zinc/54/13/01/1139541301.db2.gz OUWVQGUPFKXQSF-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1cscc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000176125630 1139541305 /nfs/dbraw/zinc/54/13/05/1139541305.db2.gz OUWVQGUPFKXQSF-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000176417580 1139557235 /nfs/dbraw/zinc/55/72/35/1139557235.db2.gz JVOIPLUYAFKPPY-CYBMUJFWSA-N 1 2 335.407 3.979 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000176417580 1139557241 /nfs/dbraw/zinc/55/72/41/1139557241.db2.gz JVOIPLUYAFKPPY-CYBMUJFWSA-N 1 2 335.407 3.979 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(Cc3ccccc3)CC2)c1C ZINC000177445160 1139620297 /nfs/dbraw/zinc/62/02/97/1139620297.db2.gz IQFQQUKOGBWEOU-UHFFFAOYSA-N 1 2 338.451 3.688 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177491444 1139623007 /nfs/dbraw/zinc/62/30/07/1139623007.db2.gz SZPSAFFIDPGMHF-WFASDCNBSA-N 1 2 343.427 3.960 20 0 EHADLO CC[C@@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000177731622 1139636771 /nfs/dbraw/zinc/63/67/71/1139636771.db2.gz MWGZKTQFRJMLBB-JENIJYKNSA-N 1 2 340.471 3.669 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000177897189 1139652110 /nfs/dbraw/zinc/65/21/10/1139652110.db2.gz URPBPWKCCFVIMW-LBPRGKRZSA-N 1 2 344.440 3.858 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000177897189 1139652113 /nfs/dbraw/zinc/65/21/13/1139652113.db2.gz URPBPWKCCFVIMW-LBPRGKRZSA-N 1 2 344.440 3.858 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(OC(F)F)cc1 ZINC000179614707 1139768856 /nfs/dbraw/zinc/76/88/56/1139768856.db2.gz NEGLGUCBSRTLQN-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C2CC2)cc1 ZINC000179681599 1139774885 /nfs/dbraw/zinc/77/48/85/1139774885.db2.gz SOXAKEUDKYPVCQ-FQEVSTJZSA-N 1 2 334.423 3.517 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C(C)C)c1 ZINC000179917079 1139792194 /nfs/dbraw/zinc/79/21/94/1139792194.db2.gz DJKAQBGBMADAJP-UHFFFAOYSA-N 1 2 328.460 3.541 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C(C)C)c1 ZINC000179917079 1139792198 /nfs/dbraw/zinc/79/21/98/1139792198.db2.gz DJKAQBGBMADAJP-UHFFFAOYSA-N 1 2 328.460 3.541 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000179940260 1139794635 /nfs/dbraw/zinc/79/46/35/1139794635.db2.gz CYCXPFWBJBSJEY-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000179940260 1139794638 /nfs/dbraw/zinc/79/46/38/1139794638.db2.gz CYCXPFWBJBSJEY-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Fc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)n1C1CC1 ZINC000180426889 1139833575 /nfs/dbraw/zinc/83/35/75/1139833575.db2.gz IWEGTBDUCFRTMT-UHFFFAOYSA-N 1 2 343.431 3.798 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(C2CC2)no1)c1ccc2c(c1)OCCO2 ZINC000180620162 1139850067 /nfs/dbraw/zinc/85/00/67/1139850067.db2.gz DOLWZLYZSBQAQS-RISCZKNCSA-N 1 2 329.400 3.520 20 0 EHADLO CC(=O)c1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc1 ZINC000180986771 1139876997 /nfs/dbraw/zinc/87/69/97/1139876997.db2.gz PXXIYJUTBMJAHO-UHFFFAOYSA-N 1 2 345.393 3.639 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1 ZINC000181357120 1139901927 /nfs/dbraw/zinc/90/19/27/1139901927.db2.gz MXXXKYLDEINWTR-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1 ZINC000181357120 1139901930 /nfs/dbraw/zinc/90/19/30/1139901930.db2.gz MXXXKYLDEINWTR-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000182006181 1139944731 /nfs/dbraw/zinc/94/47/31/1139944731.db2.gz ULRDINPFUVPZOX-UHFFFAOYSA-N 1 2 338.860 3.916 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](CCO)c2ccc(OC)cc2)cs1 ZINC000182393374 1139969321 /nfs/dbraw/zinc/96/93/21/1139969321.db2.gz AJQPDGMMDNDBTB-QGZVFWFLSA-N 1 2 334.485 3.708 20 0 EHADLO COC[C@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)c1ccc(C)o1 ZINC000183669496 1140052470 /nfs/dbraw/zinc/05/24/70/1140052470.db2.gz MEGDZBVEZDQVPB-JTQLQIEISA-N 1 2 334.363 3.849 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777401239 1140075193 /nfs/dbraw/zinc/07/51/93/1140075193.db2.gz MQCRDUJGPABDAT-IBGZPJMESA-N 1 2 340.854 3.785 20 0 EHADLO COCCC(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000184041931 1140075981 /nfs/dbraw/zinc/07/59/81/1140075981.db2.gz ZNPWQCIWKOPFCI-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000184542822 1140107778 /nfs/dbraw/zinc/10/77/78/1140107778.db2.gz IBRFSLRBLPGOTQ-NSHDSACASA-N 1 2 328.441 3.969 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000184549898 1140108672 /nfs/dbraw/zinc/10/86/72/1140108672.db2.gz XIYHWWDZVYTBMF-GXFFZTMASA-N 1 2 339.773 3.538 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1C)c1ccco1 ZINC000184588562 1140110456 /nfs/dbraw/zinc/11/04/56/1140110456.db2.gz VIMRQLFMMGLDCM-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cs1 ZINC000184688739 1140115214 /nfs/dbraw/zinc/11/52/14/1140115214.db2.gz IQOBALZONANURU-ORAYPTAESA-N 1 2 343.496 3.624 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(F)cc3F)on2)cnn1C ZINC000184712792 1140116788 /nfs/dbraw/zinc/11/67/88/1140116788.db2.gz ABSFNPAARGZBFK-JTQLQIEISA-N 1 2 332.354 3.513 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](C)c1ncc(C)s1)[C@H](C)c1ccc(F)cc1 ZINC000184994185 1140130678 /nfs/dbraw/zinc/13/06/78/1140130678.db2.gz RYKUVMXIWNCJQK-ZIAGYGMSSA-N 1 2 349.475 3.851 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000185027551 1140132597 /nfs/dbraw/zinc/13/25/97/1140132597.db2.gz FKGAUONHIBOLQK-HNNXBMFYSA-N 1 2 343.496 3.928 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1c(F)cccc1Cl ZINC000185056199 1140133937 /nfs/dbraw/zinc/13/39/37/1140133937.db2.gz RAWWTFAGENVPAG-SNVBAGLBSA-N 1 2 334.782 3.718 20 0 EHADLO CCCCn1c(S[C@H](C)c2cnccn2)nnc1[C@H](CC)[NH+](C)C ZINC000185138062 1140137474 /nfs/dbraw/zinc/13/74/74/1140137474.db2.gz KNPYQEYTLBVCCU-HIFRSBDPSA-N 1 2 348.520 3.734 20 0 EHADLO COCc1noc(C[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000185392633 1140148310 /nfs/dbraw/zinc/14/83/10/1140148310.db2.gz MKHCRNSRWUHKQN-NSHDSACASA-N 1 2 331.803 3.873 20 0 EHADLO CCSc1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000185607952 1140158570 /nfs/dbraw/zinc/15/85/70/1140158570.db2.gz ZANXWUQKZHGABV-UHFFFAOYSA-N 1 2 343.496 3.767 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000186426984 1140203092 /nfs/dbraw/zinc/20/30/92/1140203092.db2.gz DIHPPVWIHWJEJC-OAHLLOKOSA-N 1 2 336.439 3.797 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C)cc1 ZINC000186436711 1140204278 /nfs/dbraw/zinc/20/42/78/1140204278.db2.gz MASWGLYLELIPQV-GOSISDBHSA-N 1 2 336.439 3.933 20 0 EHADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000186480169 1140206120 /nfs/dbraw/zinc/20/61/20/1140206120.db2.gz LSOGFUYJRWOMSP-UHFFFAOYSA-N 1 2 339.332 3.727 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1nc2ccc(Cl)cc2n1C ZINC000186533932 1140208518 /nfs/dbraw/zinc/20/85/18/1140208518.db2.gz VAWFTSKAXNNDNI-SMDDNHRTSA-N 1 2 333.819 3.594 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000186554383 1140210099 /nfs/dbraw/zinc/21/00/99/1140210099.db2.gz IWSOSZABZYJVQQ-SMDDNHRTSA-N 1 2 339.819 3.725 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186931972 1140228873 /nfs/dbraw/zinc/22/88/73/1140228873.db2.gz PTFYLFLWBPKMSL-CQSZACIVSA-N 1 2 339.468 3.664 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@@H](C)CCSC ZINC000187006008 1140232163 /nfs/dbraw/zinc/23/21/63/1140232163.db2.gz ZCARCHQQRIJMIW-LBPRGKRZSA-N 1 2 349.949 3.707 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@@H](C)CCSC ZINC000187006008 1140232168 /nfs/dbraw/zinc/23/21/68/1140232168.db2.gz ZCARCHQQRIJMIW-LBPRGKRZSA-N 1 2 349.949 3.707 20 0 EHADLO CC(C)Cc1ncc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC000187659456 1140266216 /nfs/dbraw/zinc/26/62/16/1140266216.db2.gz HPMVUZNGPZPYSH-UHFFFAOYSA-N 1 2 334.407 3.685 20 0 EHADLO Cc1coc2ccc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc12 ZINC000187977663 1140278639 /nfs/dbraw/zinc/27/86/39/1140278639.db2.gz FENJCTQNIASXIP-OAHLLOKOSA-N 1 2 336.395 3.537 20 0 EHADLO OCCC[C@@H]([NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccccc1 ZINC000188061090 1140281887 /nfs/dbraw/zinc/28/18/87/1140281887.db2.gz ZEEVJGBVPXDSHJ-RTBURBONSA-N 1 2 339.414 3.742 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000188419012 1140295435 /nfs/dbraw/zinc/29/54/35/1140295435.db2.gz PXDYPFKRKNEIBS-UHFFFAOYSA-N 1 2 347.462 3.691 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nnnn1C1CCCCC1 ZINC000189737942 1140361512 /nfs/dbraw/zinc/36/15/12/1140361512.db2.gz KYHDLTRYZQHJRV-NWDGAFQWSA-N 1 2 335.402 3.868 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189801652 1140364210 /nfs/dbraw/zinc/36/42/10/1140364210.db2.gz FFFCTWSVGZFFDK-CABCVRRESA-N 1 2 343.475 3.989 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189832141 1140366664 /nfs/dbraw/zinc/36/66/64/1140366664.db2.gz HBZOYJWPKDNTES-CQSZACIVSA-N 1 2 334.441 3.731 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189832141 1140366673 /nfs/dbraw/zinc/36/66/73/1140366673.db2.gz HBZOYJWPKDNTES-CQSZACIVSA-N 1 2 334.441 3.731 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2OC2CCCC2)nn1 ZINC000190792874 1140418372 /nfs/dbraw/zinc/41/83/72/1140418372.db2.gz LRTUPAOQWLPYCN-UHFFFAOYSA-N 1 2 328.460 3.644 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)cs2)cc1 ZINC000191191916 1140443137 /nfs/dbraw/zinc/44/31/37/1140443137.db2.gz PSLWSQKOLCCCQH-HUUCEWRRSA-N 1 2 346.496 3.764 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc(Br)c(Cl)s2)cn1 ZINC000191186469 1140443227 /nfs/dbraw/zinc/44/32/27/1140443227.db2.gz FCXNOUWCUHMTAK-UHFFFAOYSA-N 1 2 334.670 3.530 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc(Br)c(Cl)s2)cn1 ZINC000191186469 1140443233 /nfs/dbraw/zinc/44/32/33/1140443233.db2.gz FCXNOUWCUHMTAK-UHFFFAOYSA-N 1 2 334.670 3.530 20 0 EHADLO CCc1nnc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000191692559 1140479276 /nfs/dbraw/zinc/47/92/76/1140479276.db2.gz AMNNKEQXUMKVIT-UHFFFAOYSA-N 1 2 329.322 3.556 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000192211968 1140511292 /nfs/dbraw/zinc/51/12/92/1140511292.db2.gz NAOFULRTTGWSDV-GFCCVEGCSA-N 1 2 345.493 3.810 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC000192257747 1140515052 /nfs/dbraw/zinc/51/50/52/1140515052.db2.gz JHNCJVBNOWFZCS-QGZVFWFLSA-N 1 2 327.472 3.878 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763003 1140549705 /nfs/dbraw/zinc/54/97/05/1140549705.db2.gz GJKWBVAMDZZNHE-QWHCGFSZSA-N 1 2 345.418 3.830 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267157960 1140763534 /nfs/dbraw/zinc/76/35/34/1140763534.db2.gz PMZVZWTUUAHVLL-HIFRSBDPSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000267375456 1140783992 /nfs/dbraw/zinc/78/39/92/1140783992.db2.gz LIBFUDXYRDLOSK-IBGZPJMESA-N 1 2 346.858 3.618 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267457368 1140792983 /nfs/dbraw/zinc/79/29/83/1140792983.db2.gz PBVXCTQZBRMAOP-UHFFFAOYSA-N 1 2 330.457 3.684 20 0 EHADLO CN(C)c1c(Cl)cccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267468786 1140794709 /nfs/dbraw/zinc/79/47/09/1140794709.db2.gz TYTZAYDMBIICNZ-UHFFFAOYSA-N 1 2 347.850 3.541 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000267693383 1140821205 /nfs/dbraw/zinc/82/12/05/1140821205.db2.gz FAOOVDGAHSNCPJ-SWLSCSKDSA-N 1 2 339.361 3.600 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CC1CCC1)CC(F)(F)F ZINC000267732582 1140825662 /nfs/dbraw/zinc/82/56/62/1140825662.db2.gz MDCLPZIMGHXUDN-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000267754299 1140829169 /nfs/dbraw/zinc/82/91/69/1140829169.db2.gz PYKVUKVWDIJAOE-UHFFFAOYSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000267851427 1140843696 /nfs/dbraw/zinc/84/36/96/1140843696.db2.gz CDEKLPMONSTZTA-UHFFFAOYSA-N 1 2 331.847 3.791 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267983380 1140860304 /nfs/dbraw/zinc/86/03/04/1140860304.db2.gz MHPGBTXAVOBSTM-SNVBAGLBSA-N 1 2 341.308 3.587 20 0 EHADLO COCc1nc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000268105725 1140884242 /nfs/dbraw/zinc/88/42/42/1140884242.db2.gz GLLVFPYQYDBHOW-OAHLLOKOSA-N 1 2 330.453 3.826 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(F)cccc1F ZINC000268372179 1140928788 /nfs/dbraw/zinc/92/87/88/1140928788.db2.gz VJRZTLKHOSWZPN-XEZPLFJOSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000268390622 1140932294 /nfs/dbraw/zinc/93/22/94/1140932294.db2.gz QJNMESYXJOYJSC-IEBWSBKVSA-N 1 2 337.467 3.641 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000268400682 1140933068 /nfs/dbraw/zinc/93/30/68/1140933068.db2.gz UWHRFKUVQOQPJD-RHSMWYFYSA-N 1 2 339.464 3.750 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000268509025 1140948724 /nfs/dbraw/zinc/94/87/24/1140948724.db2.gz CXXVIKDORSQFEQ-KRWDZBQOSA-N 1 2 338.386 3.520 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000268509028 1140948817 /nfs/dbraw/zinc/94/88/17/1140948817.db2.gz CXXVIKDORSQFEQ-QGZVFWFLSA-N 1 2 338.386 3.520 20 0 EHADLO CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268604330 1140961788 /nfs/dbraw/zinc/96/17/88/1140961788.db2.gz VOFKSFXVOAYLSG-UHFFFAOYSA-N 1 2 340.402 3.594 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1nnc2n1CCCCC2 ZINC000268822030 1141000375 /nfs/dbraw/zinc/00/03/75/1141000375.db2.gz HFYJSXZVQZWCJY-ZBFHGGJFSA-N 1 2 328.460 3.815 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1nnc2n1CCCCC2 ZINC000268822026 1141000914 /nfs/dbraw/zinc/00/09/14/1141000914.db2.gz HFYJSXZVQZWCJY-HOCLYGCPSA-N 1 2 328.460 3.815 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(C)n1 ZINC000268830526 1141002666 /nfs/dbraw/zinc/00/26/66/1141002666.db2.gz KKQBFCBWFYQYIF-CQSZACIVSA-N 1 2 347.466 3.619 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000268911878 1141024142 /nfs/dbraw/zinc/02/41/42/1141024142.db2.gz OIBHKOJRNMDTDO-TZMCWYRMSA-N 1 2 341.484 3.583 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)Cc2c(C)ccc3ccccc32)n1 ZINC000269005992 1141043855 /nfs/dbraw/zinc/04/38/55/1141043855.db2.gz LGMVYRWWLMNJQT-CQSZACIVSA-N 1 2 325.412 3.871 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2c(C)ccc3ccccc32)n1 ZINC000269005992 1141043862 /nfs/dbraw/zinc/04/38/62/1141043862.db2.gz LGMVYRWWLMNJQT-CQSZACIVSA-N 1 2 325.412 3.871 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000269087639 1141063034 /nfs/dbraw/zinc/06/30/34/1141063034.db2.gz PUPFHVZTXLANBP-RYUDHWBXSA-N 1 2 337.464 3.906 20 0 EHADLO CCC(CC)n1ccc(CNc2ccccc2C[NH+]2CCOCC2)n1 ZINC000269315695 1141092718 /nfs/dbraw/zinc/09/27/18/1141092718.db2.gz HFHFNJCBTFINBV-UHFFFAOYSA-N 1 2 342.487 3.689 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)cs1 ZINC000269433050 1141107473 /nfs/dbraw/zinc/10/74/73/1141107473.db2.gz QALBMELHCJTCTG-BBRMVZONSA-N 1 2 332.469 3.778 20 0 EHADLO Cc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)nc(C2CC2)[nH+]1 ZINC000270153510 1141185194 /nfs/dbraw/zinc/18/51/94/1141185194.db2.gz IAWDLDUQBRZDLC-INIZCTEOSA-N 1 2 333.439 3.681 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000270196927 1141191312 /nfs/dbraw/zinc/19/13/12/1141191312.db2.gz LOIBXUJILDEFFY-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cnc([C@H]4CCCO4)s3)CCC2)n1 ZINC000270265115 1141199304 /nfs/dbraw/zinc/19/93/04/1141199304.db2.gz UWYYVUMTBGWESF-CYBMUJFWSA-N 1 2 335.498 3.929 20 0 EHADLO CC(C)c1cc(Br)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000270599847 1141243167 /nfs/dbraw/zinc/24/31/67/1141243167.db2.gz LNKAJSNYFHPGLJ-UHFFFAOYSA-N 1 2 336.233 3.798 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1CCc2sccc2C1 ZINC000271061009 1141302923 /nfs/dbraw/zinc/30/29/23/1141302923.db2.gz CAYWSGXCXGITMS-JSGCOSHPSA-N 1 2 349.525 3.609 20 0 EHADLO COCC[N@H+](Cc1cc[nH]n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000271070635 1141304375 /nfs/dbraw/zinc/30/43/75/1141304375.db2.gz MONDNSJNIIZOPT-GFCCVEGCSA-N 1 2 327.350 3.638 20 0 EHADLO COCC[N@@H+](Cc1cc[nH]n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000271070635 1141304382 /nfs/dbraw/zinc/30/43/82/1141304382.db2.gz MONDNSJNIIZOPT-GFCCVEGCSA-N 1 2 327.350 3.638 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000271140686 1141312865 /nfs/dbraw/zinc/31/28/65/1141312865.db2.gz AFXPSFGHIONFEJ-UHFFFAOYSA-N 1 2 342.405 3.765 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)[nH]1 ZINC000271395483 1141357615 /nfs/dbraw/zinc/35/76/15/1141357615.db2.gz UUZDKEUZZOYKJK-NSHDSACASA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)[nH]1 ZINC000271395483 1141357621 /nfs/dbraw/zinc/35/76/21/1141357621.db2.gz UUZDKEUZZOYKJK-NSHDSACASA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)n1 ZINC000271395483 1141357629 /nfs/dbraw/zinc/35/76/29/1141357629.db2.gz UUZDKEUZZOYKJK-NSHDSACASA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)n1 ZINC000271395483 1141357635 /nfs/dbraw/zinc/35/76/35/1141357635.db2.gz UUZDKEUZZOYKJK-NSHDSACASA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)s1 ZINC000271398532 1141358210 /nfs/dbraw/zinc/35/82/10/1141358210.db2.gz HNKUURLQYBAHEB-UHFFFAOYSA-N 1 2 345.468 3.910 20 0 EHADLO Cc1nnc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)s1 ZINC000271398532 1141358214 /nfs/dbraw/zinc/35/82/14/1141358214.db2.gz HNKUURLQYBAHEB-UHFFFAOYSA-N 1 2 345.468 3.910 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[nH]1 ZINC000271537113 1141390979 /nfs/dbraw/zinc/39/09/79/1141390979.db2.gz QIUMYAOKOGQXCW-HUUCEWRRSA-N 1 2 338.459 3.585 20 0 EHADLO CC[N@H+](Cc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1)C1CC1 ZINC000273847372 1141431730 /nfs/dbraw/zinc/43/17/30/1141431730.db2.gz LPDKUBUQGXYXTK-UHFFFAOYSA-N 1 2 330.819 3.779 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1)C1CC1 ZINC000273847372 1141431731 /nfs/dbraw/zinc/43/17/31/1141431731.db2.gz LPDKUBUQGXYXTK-UHFFFAOYSA-N 1 2 330.819 3.779 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C[C@@H]3C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000274136554 1141479007 /nfs/dbraw/zinc/47/90/07/1141479007.db2.gz WIWBYWRGCMBYAU-JZXOWHBKSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C[C@@H]3C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000274136554 1141479010 /nfs/dbraw/zinc/47/90/10/1141479010.db2.gz WIWBYWRGCMBYAU-JZXOWHBKSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc3ccsc32)C[C@@H]1n1cc[nH+]c1 ZINC000274279367 1141492725 /nfs/dbraw/zinc/49/27/25/1141492725.db2.gz DGNPWVFUVHSMSV-BBRMVZONSA-N 1 2 325.437 3.821 20 0 EHADLO CN1CC[N@H+](Cc2nnc(-c3ccccc3)s2)Cc2ccccc21 ZINC000274282321 1141493462 /nfs/dbraw/zinc/49/34/62/1141493462.db2.gz DJEYOTRAIOSMNY-UHFFFAOYSA-N 1 2 336.464 3.657 20 0 EHADLO CN1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)Cc2ccccc21 ZINC000274282321 1141493464 /nfs/dbraw/zinc/49/34/64/1141493464.db2.gz DJEYOTRAIOSMNY-UHFFFAOYSA-N 1 2 336.464 3.657 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)SCc3ccccc3)ccc2[nH+]1 ZINC000339116467 1141501818 /nfs/dbraw/zinc/50/18/18/1141501818.db2.gz MGFULNKZYZJVOZ-CQSZACIVSA-N 1 2 325.437 3.903 20 0 EHADLO Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339135400 1141506503 /nfs/dbraw/zinc/50/65/03/1141506503.db2.gz MPADVQWEFYNRSY-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000339151604 1141511676 /nfs/dbraw/zinc/51/16/76/1141511676.db2.gz IKMHZFQORIIIDR-MBSDFSHPSA-N 1 2 328.412 3.598 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000339227099 1141534324 /nfs/dbraw/zinc/53/43/24/1141534324.db2.gz JTUYHUXLISLMKH-MRXNPFEDSA-N 1 2 328.431 3.613 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000339227099 1141534327 /nfs/dbraw/zinc/53/43/27/1141534327.db2.gz JTUYHUXLISLMKH-MRXNPFEDSA-N 1 2 328.431 3.613 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccncc1)Cc1ccccc1Cl ZINC000339250699 1141540285 /nfs/dbraw/zinc/54/02/85/1141540285.db2.gz ICTRDXLBIORZKF-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccncc1)Cc1ccccc1Cl ZINC000339250699 1141540288 /nfs/dbraw/zinc/54/02/88/1141540288.db2.gz ICTRDXLBIORZKF-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348543479 1141549318 /nfs/dbraw/zinc/54/93/18/1141549318.db2.gz JPEROQWCEWHKFZ-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348543479 1141549320 /nfs/dbraw/zinc/54/93/20/1141549320.db2.gz JPEROQWCEWHKFZ-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000348572406 1141553229 /nfs/dbraw/zinc/55/32/29/1141553229.db2.gz BRURMPDNNPAHOZ-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000348572406 1141553232 /nfs/dbraw/zinc/55/32/32/1141553232.db2.gz BRURMPDNNPAHOZ-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)cc1 ZINC000348700053 1141567973 /nfs/dbraw/zinc/56/79/73/1141567973.db2.gz BSFHWNAOCMJCFO-GOSISDBHSA-N 1 2 341.846 3.976 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)cc1 ZINC000348700053 1141567978 /nfs/dbraw/zinc/56/79/78/1141567978.db2.gz BSFHWNAOCMJCFO-GOSISDBHSA-N 1 2 341.846 3.976 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(C)s1 ZINC000348792619 1141579815 /nfs/dbraw/zinc/57/98/15/1141579815.db2.gz CEOLTYDWLJOSEE-UHFFFAOYSA-N 1 2 343.370 3.892 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(C)s1 ZINC000348792619 1141579817 /nfs/dbraw/zinc/57/98/17/1141579817.db2.gz CEOLTYDWLJOSEE-UHFFFAOYSA-N 1 2 343.370 3.892 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000283319621 1141596823 /nfs/dbraw/zinc/59/68/23/1141596823.db2.gz ZNCLATSTSJJYSQ-HNNXBMFYSA-N 1 2 348.878 3.836 20 0 EHADLO CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccncc1 ZINC000348895786 1141605512 /nfs/dbraw/zinc/60/55/12/1141605512.db2.gz SAIHCLUUHKUYFM-UHFFFAOYSA-N 1 2 329.473 3.640 20 0 EHADLO CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccncc1 ZINC000348895786 1141605513 /nfs/dbraw/zinc/60/55/13/1141605513.db2.gz SAIHCLUUHKUYFM-UHFFFAOYSA-N 1 2 329.473 3.640 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)c1cc(C)[nH]c1C)CCC2 ZINC000349025280 1141623872 /nfs/dbraw/zinc/62/38/72/1141623872.db2.gz GQZFWLFMWFUEQU-OAHLLOKOSA-N 1 2 331.485 3.843 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)c1cc(C)[nH]c1C)CCC2 ZINC000349025280 1141623874 /nfs/dbraw/zinc/62/38/74/1141623874.db2.gz GQZFWLFMWFUEQU-OAHLLOKOSA-N 1 2 331.485 3.843 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccnc2Cl)c1 ZINC000055910715 214347582 /nfs/dbraw/zinc/34/75/82/214347582.db2.gz VCHZMKPNXFGWMV-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccnc2Cl)c1 ZINC000055910715 214347586 /nfs/dbraw/zinc/34/75/86/214347586.db2.gz VCHZMKPNXFGWMV-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO COc1cc(Nc2cc(C)[nH+]c(C3CC3)n2)ccc1N1CCCC1=O ZINC000604756719 479565586 /nfs/dbraw/zinc/56/55/86/479565586.db2.gz VGBMRZTXAHBSEI-UHFFFAOYSA-N 1 2 338.411 3.541 20 0 EHADLO CCOC(=O)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccccc1 ZINC000610515895 480327532 /nfs/dbraw/zinc/32/75/32/480327532.db2.gz IJLAGAZIHASJBX-OAHLLOKOSA-N 1 2 327.428 3.533 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2Br)o1 ZINC000034994126 522041976 /nfs/dbraw/zinc/04/19/76/522041976.db2.gz DYLBYDYDKLVVHT-SNVBAGLBSA-N 1 2 338.201 3.680 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000737270551 599324198 /nfs/dbraw/zinc/32/41/98/599324198.db2.gz CVQTUXMSLKGTEM-HNNXBMFYSA-N 1 2 348.454 3.948 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(Cl)ccc1Cl ZINC000820431335 599419761 /nfs/dbraw/zinc/41/97/61/599419761.db2.gz DQCSQLISDLQQJI-QMMMGPOBSA-N 1 2 338.198 3.617 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CC=C(C(F)(F)F)CC3)cn2)cc1 ZINC000449026798 1032061070 /nfs/dbraw/zinc/06/10/70/1032061070.db2.gz GOPCXSVAPVHGTO-UHFFFAOYSA-N 1 2 337.345 3.575 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CC=C(C(F)(F)F)CC3)cn2)cc1 ZINC000449026798 1032061088 /nfs/dbraw/zinc/06/10/88/1032061088.db2.gz GOPCXSVAPVHGTO-UHFFFAOYSA-N 1 2 337.345 3.575 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@H](CCCO)c3ccccc3)n2)cc1 ZINC000305781150 1125464794 /nfs/dbraw/zinc/46/47/94/1125464794.db2.gz UICRJBYGZDZVQZ-GOSISDBHSA-N 1 2 337.423 3.648 20 0 EHADLO C[N@H+](Cc1ncc(Cl)cc1Cl)[C@H](CCO)c1ccccc1 ZINC000305795423 1125465536 /nfs/dbraw/zinc/46/55/36/1125465536.db2.gz DVNXBIZWODOELT-MRXNPFEDSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1ncc(Cl)cc1Cl)[C@H](CCO)c1ccccc1 ZINC000305795423 1125465538 /nfs/dbraw/zinc/46/55/38/1125465538.db2.gz DVNXBIZWODOELT-MRXNPFEDSA-N 1 2 325.239 3.944 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000449028586 1032065305 /nfs/dbraw/zinc/06/53/05/1032065305.db2.gz LVJOWEUWOZMUIO-GOSISDBHSA-N 1 2 328.481 3.539 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000449028586 1032065316 /nfs/dbraw/zinc/06/53/16/1032065316.db2.gz LVJOWEUWOZMUIO-GOSISDBHSA-N 1 2 328.481 3.539 20 0 EHADLO CCCCOc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1F ZINC001211613118 1032068148 /nfs/dbraw/zinc/06/81/48/1032068148.db2.gz XBNIUIDQJIAHET-INIZCTEOSA-N 1 2 345.418 3.714 20 0 EHADLO CC1CC[NH+]([C@@H](C[NH2+]C2CCC(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000263491552 962675669 /nfs/dbraw/zinc/67/56/69/962675669.db2.gz RKGLPLZXGDXGRX-MHJFOBGBSA-N 1 2 344.499 3.693 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000654710711 1014206758 /nfs/dbraw/zinc/20/67/58/1014206758.db2.gz KKYOWOIKVYQUPT-OCCSQVGLSA-N 1 2 340.418 3.513 20 0 EHADLO CC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000339316931 1014210336 /nfs/dbraw/zinc/21/03/36/1014210336.db2.gz PRZUARMQUXDQLM-UHFFFAOYSA-N 1 2 335.451 3.962 20 0 EHADLO CC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000339316931 1014210344 /nfs/dbraw/zinc/21/03/44/1014210344.db2.gz PRZUARMQUXDQLM-UHFFFAOYSA-N 1 2 335.451 3.962 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000339342779 1014241611 /nfs/dbraw/zinc/24/16/11/1014241611.db2.gz IHBZZRFRVMDAMC-LJQANCHMSA-N 1 2 342.487 3.778 20 0 EHADLO Cc1csc(C(=O)Nc2cc(C)[nH+]cc2C)c1Br ZINC000683117744 1014373287 /nfs/dbraw/zinc/37/32/87/1014373287.db2.gz VJEHSYPSWXZLEK-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000339447317 1014501677 /nfs/dbraw/zinc/50/16/77/1014501677.db2.gz MXDNTPCYLPCAGK-GOSISDBHSA-N 1 2 325.387 3.529 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000339466854 1014528337 /nfs/dbraw/zinc/52/83/37/1014528337.db2.gz OJPNACJDPFXQPM-KRWDZBQOSA-N 1 2 349.434 3.629 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000339469394 1014532352 /nfs/dbraw/zinc/53/23/52/1014532352.db2.gz JWGFBHAJHULLPK-KRWDZBQOSA-N 1 2 343.430 3.621 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1Cl ZINC001143372724 1014539118 /nfs/dbraw/zinc/53/91/18/1014539118.db2.gz LISUMDGTCDTNJL-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1Cl ZINC001143372724 1014539122 /nfs/dbraw/zinc/53/91/22/1014539122.db2.gz LISUMDGTCDTNJL-CYBMUJFWSA-N 1 2 336.794 3.536 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)ccn12 ZINC000654951763 1014654422 /nfs/dbraw/zinc/65/44/22/1014654422.db2.gz GFBXAAPRTAHCEE-APWZRJJASA-N 1 2 349.434 3.540 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)ccn12 ZINC000654951766 1014655890 /nfs/dbraw/zinc/65/58/90/1014655890.db2.gz GFBXAAPRTAHCEE-VQIMIIECSA-N 1 2 349.434 3.540 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC000339521628 1014694203 /nfs/dbraw/zinc/69/42/03/1014694203.db2.gz NPFPBKZFFQMMFY-CQSZACIVSA-N 1 2 340.452 3.553 20 0 EHADLO CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000339549936 1014818854 /nfs/dbraw/zinc/81/88/54/1014818854.db2.gz XIPXHXMZYDUJFX-OCCSQVGLSA-N 1 2 333.819 3.669 20 0 EHADLO CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000339549934 1014819232 /nfs/dbraw/zinc/81/92/32/1014819232.db2.gz XIPXHXMZYDUJFX-GXTWGEPZSA-N 1 2 333.819 3.669 20 0 EHADLO Cn1c2ccccc2n(C[N@H+](C)CCOc2ccccc2)c1=S ZINC000021323477 1014866143 /nfs/dbraw/zinc/86/61/43/1014866143.db2.gz IDAQSHVESQWEDD-UHFFFAOYSA-N 1 2 327.453 3.678 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+](C)CCOc2ccccc2)c1=S ZINC000021323477 1014866150 /nfs/dbraw/zinc/86/61/50/1014866150.db2.gz IDAQSHVESQWEDD-UHFFFAOYSA-N 1 2 327.453 3.678 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3C(F)(F)F)no2)c1 ZINC000521039638 1014914090 /nfs/dbraw/zinc/91/40/90/1014914090.db2.gz INWCPWNUECNSMR-QWHCGFSZSA-N 1 2 340.349 3.651 20 0 EHADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H](C2CCCCC2)C1 ZINC001167068065 1014992550 /nfs/dbraw/zinc/99/25/50/1014992550.db2.gz OARKXFBBSUQEGK-GFOMBABLSA-N 1 2 328.456 3.983 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2cccc(F)c2)no1 ZINC000047108687 1015027960 /nfs/dbraw/zinc/02/79/60/1015027960.db2.gz ISQHMGUXVPOICQ-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655165538 1015186134 /nfs/dbraw/zinc/18/61/34/1015186134.db2.gz QWPSPFAUVMSUNX-ZDUSSCGKSA-N 1 2 325.412 3.610 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655165538 1015186142 /nfs/dbraw/zinc/18/61/42/1015186142.db2.gz QWPSPFAUVMSUNX-ZDUSSCGKSA-N 1 2 325.412 3.610 20 0 EHADLO CC[C@H](OCCNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC000655164655 1015190537 /nfs/dbraw/zinc/19/05/37/1015190537.db2.gz SOUUKVAJRCWQDB-SFHVURJKSA-N 1 2 337.423 3.540 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000070754300 1015210005 /nfs/dbraw/zinc/21/00/05/1015210005.db2.gz DDCOKYYLAIUYDC-QFBILLFUSA-N 1 2 328.456 3.993 20 0 EHADLO Fc1cc(C[N@H+](Cc2ccccc2F)C2CC2)c2c(c1)COCO2 ZINC000070755431 1015224963 /nfs/dbraw/zinc/22/49/63/1015224963.db2.gz HSZIQGBQSDVXOU-UHFFFAOYSA-N 1 2 331.362 3.996 20 0 EHADLO Fc1cc(C[N@@H+](Cc2ccccc2F)C2CC2)c2c(c1)COCO2 ZINC000070755431 1015224976 /nfs/dbraw/zinc/22/49/76/1015224976.db2.gz HSZIQGBQSDVXOU-UHFFFAOYSA-N 1 2 331.362 3.996 20 0 EHADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2c(c1)CCCC2 ZINC000430246115 1015239540 /nfs/dbraw/zinc/23/95/40/1015239540.db2.gz DBRSVUGBYAGAAZ-UHFFFAOYSA-N 1 2 343.492 3.601 20 0 EHADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2c(c1)CCCC2 ZINC000430246115 1015239549 /nfs/dbraw/zinc/23/95/49/1015239549.db2.gz DBRSVUGBYAGAAZ-UHFFFAOYSA-N 1 2 343.492 3.601 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CC1 ZINC000748082148 1015335653 /nfs/dbraw/zinc/33/56/53/1015335653.db2.gz GEURGKJMEBJTLU-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CC1 ZINC000748082148 1015335657 /nfs/dbraw/zinc/33/56/57/1015335657.db2.gz GEURGKJMEBJTLU-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000179504948 1015415645 /nfs/dbraw/zinc/41/56/45/1015415645.db2.gz AICWOYHEWUIUEB-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000179504948 1015415652 /nfs/dbraw/zinc/41/56/52/1015415652.db2.gz AICWOYHEWUIUEB-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO C[C@H]1CCC[N@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)CC1 ZINC000748084932 1015481718 /nfs/dbraw/zinc/48/17/18/1015481718.db2.gz ZYLBKAKYHVGONE-INIZCTEOSA-N 1 2 348.446 3.962 20 0 EHADLO C[C@H]1CCC[N@@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)CC1 ZINC000748084932 1015481722 /nfs/dbraw/zinc/48/17/22/1015481722.db2.gz ZYLBKAKYHVGONE-INIZCTEOSA-N 1 2 348.446 3.962 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC001266318607 1015524475 /nfs/dbraw/zinc/52/44/75/1015524475.db2.gz WYTVRNKUIXDOLV-PRFABQLTSA-N 1 2 341.499 3.795 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc(N(C)C)s3)[C@H](C)CO2)c1 ZINC000536678219 1032118193 /nfs/dbraw/zinc/11/81/93/1032118193.db2.gz ITCAUKMYYFXICR-CRAIPNDOSA-N 1 2 345.512 3.788 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc(N(C)C)s3)[C@H](C)CO2)c1 ZINC000536678219 1032118209 /nfs/dbraw/zinc/11/82/09/1032118209.db2.gz ITCAUKMYYFXICR-CRAIPNDOSA-N 1 2 345.512 3.788 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000179708558 1015551585 /nfs/dbraw/zinc/55/15/85/1015551585.db2.gz RGESYQSUJJYNET-MRXNPFEDSA-N 1 2 335.245 3.830 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1Br ZINC000179708558 1015551596 /nfs/dbraw/zinc/55/15/96/1015551596.db2.gz RGESYQSUJJYNET-MRXNPFEDSA-N 1 2 335.245 3.830 20 0 EHADLO Cc1c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n[nH]c1C(C)C ZINC000655407719 1015575699 /nfs/dbraw/zinc/57/56/99/1015575699.db2.gz MVLMUCUGKVQRTP-HNNXBMFYSA-N 1 2 334.851 3.736 20 0 EHADLO COc1ccccc1/C=C\C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000536684520 1032122939 /nfs/dbraw/zinc/12/29/39/1032122939.db2.gz JAOACZXNAAXVKX-ALCCZGGFSA-N 1 2 346.377 3.557 20 0 EHADLO COc1ccccc1/C=C\C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000536684520 1032122930 /nfs/dbraw/zinc/12/29/30/1032122930.db2.gz JAOACZXNAAXVKX-ALCCZGGFSA-N 1 2 346.377 3.557 20 0 EHADLO C[N@H+](CCC[NH+]1CCCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598479497 992125311 /nfs/dbraw/zinc/12/53/11/992125311.db2.gz UVEFJOWCTWEFHT-OAHLLOKOSA-N 1 2 345.270 3.537 20 0 EHADLO C[N@@H+](CCC[NH+]1CCCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598479497 992125316 /nfs/dbraw/zinc/12/53/16/992125316.db2.gz UVEFJOWCTWEFHT-OAHLLOKOSA-N 1 2 345.270 3.537 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825286 1015702072 /nfs/dbraw/zinc/70/20/72/1015702072.db2.gz ZQUBUFMXXPKLFZ-WBMJQRKESA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825286 1015702075 /nfs/dbraw/zinc/70/20/75/1015702075.db2.gz ZQUBUFMXXPKLFZ-WBMJQRKESA-N 1 2 342.842 3.553 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000275047845 1015811136 /nfs/dbraw/zinc/81/11/36/1015811136.db2.gz JUMKPZAGXZFJLT-UHFFFAOYSA-N 1 2 333.819 3.887 20 0 EHADLO CC[N@H+](CC(=O)N1CCCC[C@H]1C(F)F)Cc1ccccc1Cl ZINC000510151208 1015813757 /nfs/dbraw/zinc/81/37/57/1015813757.db2.gz PLXYLOAZDHWAFQ-HNNXBMFYSA-N 1 2 344.833 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCC[C@H]1C(F)F)Cc1ccccc1Cl ZINC000510151208 1015813762 /nfs/dbraw/zinc/81/37/62/1015813762.db2.gz PLXYLOAZDHWAFQ-HNNXBMFYSA-N 1 2 344.833 3.808 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccs3)n2)cc1 ZINC000016434850 1015924946 /nfs/dbraw/zinc/92/49/46/1015924946.db2.gz RDLROOXRRCGRLG-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccs3)n2)cc1 ZINC000016434850 1015924953 /nfs/dbraw/zinc/92/49/53/1015924953.db2.gz RDLROOXRRCGRLG-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154975659 1016016777 /nfs/dbraw/zinc/01/67/77/1016016777.db2.gz JDUOYCRCYFKHIF-UHFFFAOYSA-N 1 2 346.481 3.539 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000081317741 1016051579 /nfs/dbraw/zinc/05/15/79/1016051579.db2.gz AGEBMYXFHXUGQL-HYSAVQALSA-N 1 2 331.419 3.534 20 0 EHADLO CCc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000081318229 1016052507 /nfs/dbraw/zinc/05/25/07/1016052507.db2.gz IZSKEHMEITXNCE-MRXNPFEDSA-N 1 2 339.464 3.758 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047616681 1016207876 /nfs/dbraw/zinc/20/78/76/1016207876.db2.gz GKUNALLPPKUQDW-KRWDZBQOSA-N 1 2 342.487 3.945 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000275255891 1016216864 /nfs/dbraw/zinc/21/68/64/1016216864.db2.gz ZISWCBLWAWVICI-UHFFFAOYSA-N 1 2 334.416 3.546 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001594183382 998707843 /nfs/dbraw/zinc/70/78/43/998707843.db2.gz SRMRSKXRDCFFLG-NEWSRXKRSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001594183382 998707848 /nfs/dbraw/zinc/70/78/48/998707848.db2.gz SRMRSKXRDCFFLG-NEWSRXKRSA-N 1 2 344.499 3.520 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001279662379 1032146751 /nfs/dbraw/zinc/14/67/51/1032146751.db2.gz LRDWMMPIWHHJQP-UHFFFAOYSA-N 1 2 344.528 3.537 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001279662379 1032146762 /nfs/dbraw/zinc/14/67/62/1032146762.db2.gz LRDWMMPIWHHJQP-UHFFFAOYSA-N 1 2 344.528 3.537 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(Cl)c1 ZINC000022759223 1016358496 /nfs/dbraw/zinc/35/84/96/1016358496.db2.gz XPIICKNNYRTRLD-UHFFFAOYSA-N 1 2 330.819 3.657 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1CCO[C@H](COc2ccccc2)C1 ZINC001167154867 1016368620 /nfs/dbraw/zinc/36/86/20/1016368620.db2.gz DUBIETVEFRJEQB-SFHVURJKSA-N 1 2 334.419 3.827 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)oc1C ZINC000376555079 1016421545 /nfs/dbraw/zinc/42/15/45/1016421545.db2.gz UEFPKBFCRBKWAL-KRWDZBQOSA-N 1 2 349.475 3.705 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)oc1C ZINC000376555079 1016421550 /nfs/dbraw/zinc/42/15/50/1016421550.db2.gz UEFPKBFCRBKWAL-KRWDZBQOSA-N 1 2 349.475 3.705 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C(C)C ZINC000510211208 1016445995 /nfs/dbraw/zinc/44/59/95/1016445995.db2.gz MIBGGNCLNTZQIE-UHFFFAOYSA-N 1 2 342.439 3.956 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C(C)C ZINC000510211208 1016446006 /nfs/dbraw/zinc/44/60/06/1016446006.db2.gz MIBGGNCLNTZQIE-UHFFFAOYSA-N 1 2 342.439 3.956 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000119144849 1016464588 /nfs/dbraw/zinc/46/45/88/1016464588.db2.gz UPDIOUNGQHFDEV-KRWDZBQOSA-N 1 2 330.476 3.546 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000120857172 1016570246 /nfs/dbraw/zinc/57/02/46/1016570246.db2.gz NEQWLXLBLBLRHF-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO Cc1nc(N2CCC3(C[C@@H](F)CO3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001167210036 1016592028 /nfs/dbraw/zinc/59/20/28/1016592028.db2.gz KBJWMKJXACVKCA-MRXNPFEDSA-N 1 2 333.451 3.930 20 0 EHADLO Cc1ccc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2n1 ZINC000340177359 1016602414 /nfs/dbraw/zinc/60/24/14/1016602414.db2.gz FQFSTUBIIKSMPJ-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO c1ccc(CSc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H]4C3)c2)cc1 ZINC001167219410 1016626451 /nfs/dbraw/zinc/62/64/51/1016626451.db2.gz XZYHDJLXUGPBRI-AEFFLSMTSA-N 1 2 326.465 3.989 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1OC ZINC000340188531 1016647438 /nfs/dbraw/zinc/64/74/38/1016647438.db2.gz LOQBESZIFPFHEV-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1OC ZINC000340188531 1016647444 /nfs/dbraw/zinc/64/74/44/1016647444.db2.gz LOQBESZIFPFHEV-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)c1nnc2ccccn21 ZINC000393430357 1016655665 /nfs/dbraw/zinc/65/56/65/1016655665.db2.gz BLDASOFUJOWHMR-LLVKDONJSA-N 1 2 326.787 3.980 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cncc(Br)c2)c(F)c1 ZINC000705949482 1016712049 /nfs/dbraw/zinc/71/20/49/1016712049.db2.gz LSMCFIDOAPSHOA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cncc(Br)c2)c(F)c1 ZINC000705949482 1016712057 /nfs/dbraw/zinc/71/20/57/1016712057.db2.gz LSMCFIDOAPSHOA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000275413815 1016723146 /nfs/dbraw/zinc/72/31/46/1016723146.db2.gz DYCIWSCHWHFKPC-NSHDSACASA-N 1 2 332.354 3.686 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1 ZINC001167251499 1016768745 /nfs/dbraw/zinc/76/87/45/1016768745.db2.gz FVBXLRGSOHUENA-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1 ZINC001167251499 1016768769 /nfs/dbraw/zinc/76/87/69/1016768769.db2.gz FVBXLRGSOHUENA-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO COc1ccc([C@@H](Nc2[nH+]c3ccccc3n2C)c2nccn2C)cc1 ZINC000178802095 1016779942 /nfs/dbraw/zinc/77/99/42/1016779942.db2.gz STGHOMYOMGRMEX-GOSISDBHSA-N 1 2 347.422 3.517 20 0 EHADLO CCC[N@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)Cc1ccccc1 ZINC000340316491 1016930107 /nfs/dbraw/zinc/93/01/07/1016930107.db2.gz GZAGVGAJUWDSAP-UHFFFAOYSA-N 1 2 326.440 3.929 20 0 EHADLO CCC[N@@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)Cc1ccccc1 ZINC000340316491 1016930119 /nfs/dbraw/zinc/93/01/19/1016930119.db2.gz GZAGVGAJUWDSAP-UHFFFAOYSA-N 1 2 326.440 3.929 20 0 EHADLO CC(C)c1csc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000376624668 1016955845 /nfs/dbraw/zinc/95/58/45/1016955845.db2.gz XUHNXHOSNKSRCV-GFCCVEGCSA-N 1 2 346.500 3.534 20 0 EHADLO CC(C)c1csc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000376624668 1016955855 /nfs/dbraw/zinc/95/58/55/1016955855.db2.gz XUHNXHOSNKSRCV-GFCCVEGCSA-N 1 2 346.500 3.534 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCC ZINC000121235324 1016974134 /nfs/dbraw/zinc/97/41/34/1016974134.db2.gz XSUMFNDVEKCIMX-KRWDZBQOSA-N 1 2 343.471 3.977 20 0 EHADLO Cc1oc2ccccc2c1CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340362177 1017035521 /nfs/dbraw/zinc/03/55/21/1017035521.db2.gz NYGOCHXMAPOBIN-QGZVFWFLSA-N 1 2 338.436 3.843 20 0 EHADLO Fc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000120969279 1017049678 /nfs/dbraw/zinc/04/96/78/1017049678.db2.gz DHHHOLBYFWYFKG-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3noc(C4CCOCC4)n3)C2)c1 ZINC000183491478 1032175508 /nfs/dbraw/zinc/17/55/08/1032175508.db2.gz UHOMYJGXJKGXHX-QGZVFWFLSA-N 1 2 341.455 3.570 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)c1 ZINC000183491478 1032175518 /nfs/dbraw/zinc/17/55/18/1032175518.db2.gz UHOMYJGXJKGXHX-QGZVFWFLSA-N 1 2 341.455 3.570 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@@H]1c1ccccc1 ZINC000528391439 1032214634 /nfs/dbraw/zinc/21/46/34/1032214634.db2.gz AFUWCWSAMXPJPM-AEFFLSMTSA-N 1 2 347.480 3.699 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@@H]1c1ccccc1 ZINC000528391439 1032214649 /nfs/dbraw/zinc/21/46/49/1032214649.db2.gz AFUWCWSAMXPJPM-AEFFLSMTSA-N 1 2 347.480 3.699 20 0 EHADLO O=C(c1ccsc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528396328 1032219497 /nfs/dbraw/zinc/21/94/97/1032219497.db2.gz NSHWNTSDMQTRFX-SECBINFHSA-N 1 2 329.347 3.510 20 0 EHADLO Fc1cccc(Cc2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000904732450 1032219959 /nfs/dbraw/zinc/21/99/59/1032219959.db2.gz NZTNWDYMVDMVDC-UHFFFAOYSA-N 1 2 334.354 3.576 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000184010119 1032222923 /nfs/dbraw/zinc/22/29/23/1032222923.db2.gz QZDSBGZSWQAPHA-QGZVFWFLSA-N 1 2 336.357 3.716 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000184010119 1032222940 /nfs/dbraw/zinc/22/29/40/1032222940.db2.gz QZDSBGZSWQAPHA-QGZVFWFLSA-N 1 2 336.357 3.716 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000080947754 1032223564 /nfs/dbraw/zinc/22/35/64/1032223564.db2.gz CMVPUKYFMCRXQS-LLVKDONJSA-N 1 2 326.400 3.765 20 0 EHADLO COCc1cc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)no1 ZINC000459520650 1032240525 /nfs/dbraw/zinc/24/05/25/1032240525.db2.gz DRBHEWYKIIBPQF-UHFFFAOYSA-N 1 2 338.810 3.935 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459532192 1032251346 /nfs/dbraw/zinc/25/13/46/1032251346.db2.gz OMDWZQHGBXDBGU-QGZVFWFLSA-N 1 2 343.471 3.751 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459533247 1032254762 /nfs/dbraw/zinc/25/47/62/1032254762.db2.gz SEGNHJCAGXMABN-WCBMZHEXSA-N 1 2 338.167 3.927 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(O)c1Br ZINC000459533247 1032254775 /nfs/dbraw/zinc/25/47/75/1032254775.db2.gz SEGNHJCAGXMABN-WCBMZHEXSA-N 1 2 338.167 3.927 20 0 EHADLO CC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000586271034 1032269278 /nfs/dbraw/zinc/26/92/78/1032269278.db2.gz JOPWOCOSLZABTA-SFHVURJKSA-N 1 2 344.503 3.709 20 0 EHADLO COCc1cc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)no1 ZINC000459557493 1032275759 /nfs/dbraw/zinc/27/57/59/1032275759.db2.gz LVBNOQOATXVUNO-MRXNPFEDSA-N 1 2 338.860 3.841 20 0 EHADLO COCc1cc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)no1 ZINC000459557493 1032275767 /nfs/dbraw/zinc/27/57/67/1032275767.db2.gz LVBNOQOATXVUNO-MRXNPFEDSA-N 1 2 338.860 3.841 20 0 EHADLO Cc1cc(Cl)cnc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000485103719 1032306830 /nfs/dbraw/zinc/30/68/30/1032306830.db2.gz GPPRCVPSSDJGHK-AWEZNQCLSA-N 1 2 338.238 3.938 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184604037 1032309438 /nfs/dbraw/zinc/30/94/38/1032309438.db2.gz ZJWPTAIXMZRIMU-INIZCTEOSA-N 1 2 345.512 3.809 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CC(C3CCCCC3)C2)cs1)C1CC1 ZINC000459591917 1032312537 /nfs/dbraw/zinc/31/25/37/1032312537.db2.gz LUYKPMMVTHVHSJ-UHFFFAOYSA-N 1 2 333.501 3.671 20 0 EHADLO C[C@H](CC(=O)NCCCNc1cccc[nH+]1)Cc1ccc(Cl)cc1 ZINC000536813633 1032314271 /nfs/dbraw/zinc/31/42/71/1032314271.db2.gz DHVVYLSTMUUSBW-HNNXBMFYSA-N 1 2 345.874 3.922 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[nH]1 ZINC000449211920 1032315646 /nfs/dbraw/zinc/31/56/46/1032315646.db2.gz YOUQCQIYCFXBOB-SECBINFHSA-N 1 2 349.410 3.620 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184876347 1032328324 /nfs/dbraw/zinc/32/83/24/1032328324.db2.gz BUAZZGIUUPSHDW-VYDXJSESSA-N 1 2 341.455 3.687 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185055214 1032342037 /nfs/dbraw/zinc/34/20/37/1032342037.db2.gz PJOOBBRBOYAMRN-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000528496319 1032355607 /nfs/dbraw/zinc/35/56/07/1032355607.db2.gz ZYFIIPHGATWFJO-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000528496319 1032355611 /nfs/dbraw/zinc/35/56/11/1032355611.db2.gz ZYFIIPHGATWFJO-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(C2CC2)nc2ccccc21 ZINC000118724255 1032364504 /nfs/dbraw/zinc/36/45/04/1032364504.db2.gz CVTPOGNROKGACL-UHFFFAOYSA-N 1 2 346.434 3.739 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449266111 1032385424 /nfs/dbraw/zinc/38/54/24/1032385424.db2.gz UNJUNDSXOOKCSF-AWEZNQCLSA-N 1 2 346.352 3.852 20 0 EHADLO Brc1ccc(C2CC([NH2+]Cc3noc(C4CC4)n3)C2)cc1 ZINC000449298548 1032416318 /nfs/dbraw/zinc/41/63/18/1032416318.db2.gz KHQDRVIKHPMOEW-UHFFFAOYSA-N 1 2 348.244 3.745 20 0 EHADLO CCCCOc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000459695254 1032421931 /nfs/dbraw/zinc/42/19/31/1032421931.db2.gz HEKCTCHFGKDHJG-UHFFFAOYSA-N 1 2 346.475 3.580 20 0 EHADLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000459723924 1032431306 /nfs/dbraw/zinc/43/13/06/1032431306.db2.gz VVDBSAJVALTWED-ZDUSSCGKSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000459723924 1032431311 /nfs/dbraw/zinc/43/13/11/1032431311.db2.gz VVDBSAJVALTWED-ZDUSSCGKSA-N 1 2 345.270 3.823 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1c(F)cncc1F ZINC000449320100 1032451329 /nfs/dbraw/zinc/45/13/29/1032451329.db2.gz MHHHMRJNTZCEPI-LBPRGKRZSA-N 1 2 334.366 3.762 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000429767796 1032455045 /nfs/dbraw/zinc/45/50/45/1032455045.db2.gz BYTDIXDTPIBWKO-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000429767796 1032455048 /nfs/dbraw/zinc/45/50/48/1032455048.db2.gz BYTDIXDTPIBWKO-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000080995625 1032455829 /nfs/dbraw/zinc/45/58/29/1032455829.db2.gz UJQCTGMSPYNXON-MRXNPFEDSA-N 1 2 349.434 3.584 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc2cc[nH]c21 ZINC000547850303 1017081537 /nfs/dbraw/zinc/08/15/37/1017081537.db2.gz FQHKWJVVBZRLAO-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)[nH]2)cc1 ZINC000537016910 1032473161 /nfs/dbraw/zinc/47/31/61/1032473161.db2.gz ZUEVQKUXQLLDNB-SFHVURJKSA-N 1 2 340.377 3.991 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)n2)cc1 ZINC000537016910 1032473175 /nfs/dbraw/zinc/47/31/75/1032473175.db2.gz ZUEVQKUXQLLDNB-SFHVURJKSA-N 1 2 340.377 3.991 20 0 EHADLO Clc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)c(Cl)c1 ZINC000459794490 1032479315 /nfs/dbraw/zinc/47/93/15/1032479315.db2.gz MTGGMCBLOJWQDP-UWVGGRQHSA-N 1 2 342.251 3.733 20 0 EHADLO Clc1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@H]3CS4)o2)c(Cl)c1 ZINC000459794490 1032479318 /nfs/dbraw/zinc/47/93/18/1032479318.db2.gz MTGGMCBLOJWQDP-UWVGGRQHSA-N 1 2 342.251 3.733 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1c(F)cccc1F ZINC000537025952 1032489513 /nfs/dbraw/zinc/48/95/13/1032489513.db2.gz PLLVNEHUDBMBSN-SECBINFHSA-N 1 2 344.814 3.647 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000088785232 1032510370 /nfs/dbraw/zinc/51/03/70/1032510370.db2.gz YRUJIBSRBYZMPT-ZFWWWQNUSA-N 1 2 330.407 3.507 20 0 EHADLO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c(-c2ccnn2C)c1 ZINC000449413525 1032516380 /nfs/dbraw/zinc/51/63/80/1032516380.db2.gz JGWCKNAFVCWNPI-LJQANCHMSA-N 1 2 349.482 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c(-c2ccnn2C)c1 ZINC000449413525 1032516381 /nfs/dbraw/zinc/51/63/81/1032516381.db2.gz JGWCKNAFVCWNPI-LJQANCHMSA-N 1 2 349.482 3.712 20 0 EHADLO COCCCC1(C[NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)CCC1 ZINC000892381592 1032533909 /nfs/dbraw/zinc/53/39/09/1032533909.db2.gz WLOBWVPRUCNQPE-KRWDZBQOSA-N 1 2 332.488 3.921 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000528658825 1032545592 /nfs/dbraw/zinc/54/55/92/1032545592.db2.gz NQJYEUGHFBLAII-WOJBJXKFSA-N 1 2 335.451 3.532 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000537169833 1032546200 /nfs/dbraw/zinc/54/62/00/1032546200.db2.gz GCKPYWAULIXEOZ-SOLBZPMBSA-N 1 2 332.463 3.857 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143455661 1032560018 /nfs/dbraw/zinc/56/00/18/1032560018.db2.gz VSGPQYWEIWRHRM-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143455661 1032560026 /nfs/dbraw/zinc/56/00/26/1032560026.db2.gz VSGPQYWEIWRHRM-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO COc1cccnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000592811156 1032587617 /nfs/dbraw/zinc/58/76/17/1032587617.db2.gz IWANJGJNBLYVKM-AWEZNQCLSA-N 1 2 331.847 3.627 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)n1 ZINC000592817039 1032590760 /nfs/dbraw/zinc/59/07/60/1032590760.db2.gz NTJXIUCWBAERLX-AWEZNQCLSA-N 1 2 347.409 3.642 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000460132996 1032609689 /nfs/dbraw/zinc/60/96/89/1032609689.db2.gz METLXFUNPYKAHK-INIZCTEOSA-N 1 2 328.460 3.652 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)nn1 ZINC000449462971 1032613718 /nfs/dbraw/zinc/61/37/18/1032613718.db2.gz VBTRMVQRQMLRDO-KGLIPLIRSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)nn1 ZINC000449462971 1032613726 /nfs/dbraw/zinc/61/37/26/1032613726.db2.gz VBTRMVQRQMLRDO-KGLIPLIRSA-N 1 2 338.377 3.739 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000091026631 1032618688 /nfs/dbraw/zinc/61/86/88/1032618688.db2.gz OYKLYYHCKFGXPW-INIZCTEOSA-N 1 2 348.397 3.545 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000091026631 1032618705 /nfs/dbraw/zinc/61/87/05/1032618705.db2.gz OYKLYYHCKFGXPW-INIZCTEOSA-N 1 2 348.397 3.545 20 0 EHADLO C[C@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000606321479 1032636093 /nfs/dbraw/zinc/63/60/93/1032636093.db2.gz VHITZTJITLFEMQ-AWEZNQCLSA-N 1 2 335.382 3.771 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCc2sccc2C1 ZINC000592982050 1032648775 /nfs/dbraw/zinc/64/87/75/1032648775.db2.gz AYFMUUPOVWEFJV-LLVKDONJSA-N 1 2 336.407 3.802 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCc2sccc2C1 ZINC000592982050 1032648784 /nfs/dbraw/zinc/64/87/84/1032648784.db2.gz AYFMUUPOVWEFJV-LLVKDONJSA-N 1 2 336.407 3.802 20 0 EHADLO O=C(C[N@@H+]1CCCc2sccc2C1)Nc1ccc(F)c(Cl)c1 ZINC000592984865 1032656849 /nfs/dbraw/zinc/65/68/49/1032656849.db2.gz ZPNIIRXGRVXTMY-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO O=C(C[N@H+]1CCCc2sccc2C1)Nc1ccc(F)c(Cl)c1 ZINC000592984865 1032656853 /nfs/dbraw/zinc/65/68/53/1032656853.db2.gz ZPNIIRXGRVXTMY-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683443936 1017144961 /nfs/dbraw/zinc/14/49/61/1017144961.db2.gz MWLXQDWITVCUPO-AWEZNQCLSA-N 1 2 331.375 3.894 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376957909 1017222996 /nfs/dbraw/zinc/22/29/96/1017222996.db2.gz YXVPJOGHBLPLTK-INIZCTEOSA-N 1 2 347.418 3.760 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001137572182 1017332698 /nfs/dbraw/zinc/33/26/98/1017332698.db2.gz ABBBFIBKSRYCJE-HNNXBMFYSA-N 1 2 349.883 3.733 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001137572182 1017332711 /nfs/dbraw/zinc/33/27/11/1017332711.db2.gz ABBBFIBKSRYCJE-HNNXBMFYSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449945 1032694945 /nfs/dbraw/zinc/69/49/45/1032694945.db2.gz KHRMNBLMIKNPOJ-CABCVRRESA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449945 1032694950 /nfs/dbraw/zinc/69/49/50/1032694950.db2.gz KHRMNBLMIKNPOJ-CABCVRRESA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000655253919 1017372148 /nfs/dbraw/zinc/37/21/48/1017372148.db2.gz SDQLZQIAKPIBND-NSHDSACASA-N 1 2 340.254 3.644 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000655253919 1017372161 /nfs/dbraw/zinc/37/21/61/1017372161.db2.gz SDQLZQIAKPIBND-NSHDSACASA-N 1 2 340.254 3.644 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)Cc1cc(C)on1 ZINC000091429075 1032695570 /nfs/dbraw/zinc/69/55/70/1032695570.db2.gz BMPKTWKQJRMJKL-UHFFFAOYSA-N 1 2 339.395 3.653 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000537379377 1032698379 /nfs/dbraw/zinc/69/83/79/1032698379.db2.gz KALHQGDJPDDZLZ-AWEZNQCLSA-N 1 2 326.425 3.794 20 0 EHADLO FC(F)(F)c1c[nH]c2[nH+]ccc(NCC3(c4ccccc4)COC3)c12 ZINC001167295004 1017416852 /nfs/dbraw/zinc/41/68/52/1017416852.db2.gz PFIQRHJBUAQKDZ-UHFFFAOYSA-N 1 2 347.340 3.962 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000613647668 1017425474 /nfs/dbraw/zinc/42/54/74/1017425474.db2.gz NMDWJCQPWTYWFT-OMQSBVIBSA-N 1 2 349.478 3.708 20 0 EHADLO CC(F)(F)c1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000340406416 1017427930 /nfs/dbraw/zinc/42/79/30/1017427930.db2.gz DDUFQJKJJLAXTR-UHFFFAOYSA-N 1 2 341.361 3.914 20 0 EHADLO C[C@@H](c1ccccc1)[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000584451978 1032703153 /nfs/dbraw/zinc/70/31/53/1032703153.db2.gz MFHWVUYJLZFRCR-NHYWBVRUSA-N 1 2 335.329 3.615 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795046 1017626902 /nfs/dbraw/zinc/62/69/02/1017626902.db2.gz VQUTVFYQDOLGBM-ZBFHGGJFSA-N 1 2 334.851 3.797 20 0 EHADLO COCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)o1 ZINC000892874166 1017627608 /nfs/dbraw/zinc/62/76/08/1017627608.db2.gz KLSDCFSCUVZKCQ-FQEVSTJZSA-N 1 2 338.407 3.579 20 0 EHADLO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000655795794 1017630027 /nfs/dbraw/zinc/63/00/27/1017630027.db2.gz BSESNPDKRHYNMY-SJORKVTESA-N 1 2 340.471 3.850 20 0 EHADLO Clc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)c1 ZINC000655797699 1017632502 /nfs/dbraw/zinc/63/25/02/1017632502.db2.gz RRKAUEJFNXEUSE-FVQBIDKESA-N 1 2 346.862 3.736 20 0 EHADLO CSc1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000655796975 1017636774 /nfs/dbraw/zinc/63/67/74/1017636774.db2.gz LEKAEXNHIXGVBQ-HZPDHXFCSA-N 1 2 344.484 3.545 20 0 EHADLO Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000892908068 1017687039 /nfs/dbraw/zinc/68/70/39/1017687039.db2.gz LMWLVQDJVPOOJJ-AWEZNQCLSA-N 1 2 343.427 3.737 20 0 EHADLO c1sc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1-c1ccccc1 ZINC000655820064 1017697400 /nfs/dbraw/zinc/69/74/00/1017697400.db2.gz QXBJHYTXJGPIGW-MRXNPFEDSA-N 1 2 340.452 3.675 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000783010863 1017718729 /nfs/dbraw/zinc/71/87/29/1017718729.db2.gz REGXQZVTPJMRFK-LJQANCHMSA-N 1 2 336.391 3.637 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)c(OC[C@@H]2CCOC2)c1 ZINC000091735337 1032719246 /nfs/dbraw/zinc/71/92/46/1032719246.db2.gz NPHVCPGIMDYKAC-LSDHHAIUSA-N 1 2 332.469 3.718 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000574098560 1032720942 /nfs/dbraw/zinc/72/09/42/1032720942.db2.gz QLQLUGSWUBTRBC-IFXJQAMLSA-N 1 2 336.439 3.823 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000574098560 1032720959 /nfs/dbraw/zinc/72/09/59/1032720959.db2.gz QLQLUGSWUBTRBC-IFXJQAMLSA-N 1 2 336.439 3.823 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ncc(Br)cn1 ZINC000340427855 1017760469 /nfs/dbraw/zinc/76/04/69/1017760469.db2.gz UYFSIIONKSRSFW-WDEREUQCSA-N 1 2 348.244 3.681 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc2c(c1)OCO2 ZINC000537428132 1032728507 /nfs/dbraw/zinc/72/85/07/1032728507.db2.gz UDPITLXRYLTCHU-CQSZACIVSA-N 1 2 325.412 3.974 20 0 EHADLO Brc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000070395847 1017929590 /nfs/dbraw/zinc/92/95/90/1017929590.db2.gz TWJLVEQHNJHXBN-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO C[C@H](NC[C@H](c1ccco1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343845640 1017949968 /nfs/dbraw/zinc/94/99/68/1017949968.db2.gz YASLVXSSVLFSFN-VHSXEESVSA-N 1 2 333.379 3.708 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc(CC(F)(F)F)s2)o1 ZINC000892955605 1017968852 /nfs/dbraw/zinc/96/88/52/1017968852.db2.gz JODUHASMLXUDJR-GFCCVEGCSA-N 1 2 348.390 3.881 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc([S@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892980735 1018040641 /nfs/dbraw/zinc/04/06/41/1018040641.db2.gz GYDHCZZJZRYPFI-ZLOXQWCVSA-N 1 2 329.469 3.963 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009766 1018051132 /nfs/dbraw/zinc/05/11/32/1018051132.db2.gz MCUFTAHQGVBNRN-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009766 1018051143 /nfs/dbraw/zinc/05/11/43/1018051143.db2.gz MCUFTAHQGVBNRN-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000047271268 1018088931 /nfs/dbraw/zinc/08/89/31/1018088931.db2.gz MDWXKTKDJVMKJT-HXUWFJFHSA-N 1 2 331.419 3.909 20 0 EHADLO CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125407444 1018345566 /nfs/dbraw/zinc/34/55/66/1018345566.db2.gz GPWGYSZREMAPHZ-UYAOXDASSA-N 1 2 325.456 3.764 20 0 EHADLO CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000042845100 1018370335 /nfs/dbraw/zinc/37/03/35/1018370335.db2.gz NZWPJTIXUGOEHT-HOTGVXAUSA-N 1 2 333.476 3.608 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(C2CC2)c1 ZINC000656054075 1018379462 /nfs/dbraw/zinc/37/94/62/1018379462.db2.gz JKIRKQSYMQBXKU-DNVCBOLYSA-N 1 2 338.455 3.868 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000593105832 1032760535 /nfs/dbraw/zinc/76/05/35/1032760535.db2.gz OMRSKYDVBOJZDV-AWEZNQCLSA-N 1 2 340.452 3.664 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377808380 1018391702 /nfs/dbraw/zinc/39/17/02/1018391702.db2.gz FEAHBFJVWWLQFC-LLVKDONJSA-N 1 2 330.457 3.584 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1cccc(F)c1 ZINC000683765243 1018404210 /nfs/dbraw/zinc/40/42/10/1018404210.db2.gz HREWRILHJNRVEO-FQEVSTJZSA-N 1 2 346.409 3.987 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1F ZINC000025431068 1018454658 /nfs/dbraw/zinc/45/46/58/1018454658.db2.gz FXLHYRAWTGSEBV-INIZCTEOSA-N 1 2 333.407 3.751 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1F ZINC000025431068 1018454663 /nfs/dbraw/zinc/45/46/63/1018454663.db2.gz FXLHYRAWTGSEBV-INIZCTEOSA-N 1 2 333.407 3.751 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340561914 1018465238 /nfs/dbraw/zinc/46/52/38/1018465238.db2.gz BGPCCAFCKMHBSF-GOSISDBHSA-N 1 2 337.448 3.874 20 0 EHADLO Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606583063 1032766538 /nfs/dbraw/zinc/76/65/38/1032766538.db2.gz NYQZOTPEOFKQNH-GOSISDBHSA-N 1 2 334.423 3.882 20 0 EHADLO CC(C)(C)[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000651115153 1018473841 /nfs/dbraw/zinc/47/38/41/1018473841.db2.gz ACTHKSAIJACATA-LJQANCHMSA-N 1 2 343.446 3.805 20 0 EHADLO Cc1nc([C@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000377873743 1018499955 /nfs/dbraw/zinc/49/99/55/1018499955.db2.gz KRPZTBYFPNAPDR-LBPRGKRZSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1nc([C@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000377873743 1018499961 /nfs/dbraw/zinc/49/99/61/1018499961.db2.gz KRPZTBYFPNAPDR-LBPRGKRZSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1cc(N2CCC[C@H]2CC(=O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000893103966 1018510452 /nfs/dbraw/zinc/51/04/52/1018510452.db2.gz WQNVJDKNBXGDEN-HNNXBMFYSA-N 1 2 325.412 3.887 20 0 EHADLO CCOc1nnc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051131958 1018519847 /nfs/dbraw/zinc/51/98/47/1018519847.db2.gz IFSIHGBIJGBWCX-NVXWUHKLSA-N 1 2 347.484 3.537 20 0 EHADLO CCOc1nnc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051131958 1018519858 /nfs/dbraw/zinc/51/98/58/1018519858.db2.gz IFSIHGBIJGBWCX-NVXWUHKLSA-N 1 2 347.484 3.537 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C)c(OC(C)C)c3)[nH+]c12 ZINC000683782460 1018527843 /nfs/dbraw/zinc/52/78/43/1018527843.db2.gz VIJHPHKBCJANLA-UHFFFAOYSA-N 1 2 337.423 3.920 20 0 EHADLO O=C(CCCc1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377958131 1018593180 /nfs/dbraw/zinc/59/31/80/1018593180.db2.gz YUIHYZFMVXUSRV-INIZCTEOSA-N 1 2 331.847 3.723 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)c1 ZINC000580090718 1018624767 /nfs/dbraw/zinc/62/47/67/1018624767.db2.gz XFCGVDPKGDIZMQ-ZDUSSCGKSA-N 1 2 347.821 3.611 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)c1 ZINC000580090718 1018624772 /nfs/dbraw/zinc/62/47/72/1018624772.db2.gz XFCGVDPKGDIZMQ-ZDUSSCGKSA-N 1 2 347.821 3.611 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)sc1Cc1ccccc1 ZINC000683825396 1018713463 /nfs/dbraw/zinc/71/34/63/1018713463.db2.gz DXZYWOSJDVJKMS-MRXNPFEDSA-N 1 2 341.480 3.608 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)sc1Cc1ccccc1 ZINC000683825396 1018713471 /nfs/dbraw/zinc/71/34/71/1018713471.db2.gz DXZYWOSJDVJKMS-MRXNPFEDSA-N 1 2 341.480 3.608 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+]3CC[C@@H](OCC(C)C)C3)nc(=O)c2c1C ZINC000253552866 1018733633 /nfs/dbraw/zinc/73/36/33/1018733633.db2.gz YBWTVVLUDCSDQA-GXTWGEPZSA-N 1 2 349.500 3.822 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+]3CC[C@@H](OCC(C)C)C3)nc(=O)c2c1C ZINC000253552866 1018733647 /nfs/dbraw/zinc/73/36/47/1018733647.db2.gz YBWTVVLUDCSDQA-GXTWGEPZSA-N 1 2 349.500 3.822 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580214614 1018804809 /nfs/dbraw/zinc/80/48/09/1018804809.db2.gz AIERVZJULKSYAV-YPMHNXCESA-N 1 2 334.489 3.696 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580214614 1018804824 /nfs/dbraw/zinc/80/48/24/1018804824.db2.gz AIERVZJULKSYAV-YPMHNXCESA-N 1 2 334.489 3.696 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)NCc1cccs1 ZINC000052210868 1018873150 /nfs/dbraw/zinc/87/31/50/1018873150.db2.gz SYDBAYDPZIJZOY-MRXNPFEDSA-N 1 2 334.872 3.855 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)NCc1cccs1 ZINC000052210868 1018873173 /nfs/dbraw/zinc/87/31/73/1018873173.db2.gz SYDBAYDPZIJZOY-MRXNPFEDSA-N 1 2 334.872 3.855 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](c2ccccc2)C1 ZINC000412688308 1018898650 /nfs/dbraw/zinc/89/86/50/1018898650.db2.gz GVRDIRVVHVKUQP-NQYYFHDYSA-N 1 2 337.467 3.534 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000580271040 1018907276 /nfs/dbraw/zinc/90/72/76/1018907276.db2.gz LHHLRLRHPMBAKX-CKEIUWERSA-N 1 2 346.862 3.890 20 0 EHADLO C[C@H](CNc1cc(NC[C@@H](C)c2ccccn2)[nH+]cn1)c1ccccn1 ZINC000664148286 1018945679 /nfs/dbraw/zinc/94/56/79/1018945679.db2.gz JGGMYVTYZKBCJB-HZPDHXFCSA-N 1 2 348.454 3.698 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419374726 1018970918 /nfs/dbraw/zinc/97/09/18/1018970918.db2.gz OTCVXLOCVZYHID-KRWDZBQOSA-N 1 2 343.496 3.686 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419374726 1018970928 /nfs/dbraw/zinc/97/09/28/1018970928.db2.gz OTCVXLOCVZYHID-KRWDZBQOSA-N 1 2 343.496 3.686 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000580316871 1019008192 /nfs/dbraw/zinc/00/81/92/1019008192.db2.gz FEVKFQBFVWXQDM-CAMMJAKZSA-N 1 2 325.456 3.923 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000513129593 1019039360 /nfs/dbraw/zinc/03/93/60/1019039360.db2.gz ZSMKOIGSYXUFHO-UHFFFAOYSA-N 1 2 337.460 3.504 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000513129593 1019039377 /nfs/dbraw/zinc/03/93/77/1019039377.db2.gz ZSMKOIGSYXUFHO-UHFFFAOYSA-N 1 2 337.460 3.504 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(F)cn1 ZINC000580353593 1019165398 /nfs/dbraw/zinc/16/53/98/1019165398.db2.gz XOQQKFMJSVMGGF-FQEVSTJZSA-N 1 2 338.430 3.952 20 0 EHADLO c1nc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363864 1019187439 /nfs/dbraw/zinc/18/74/39/1019187439.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 2 346.478 3.661 20 0 EHADLO c1nc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363864 1019187446 /nfs/dbraw/zinc/18/74/46/1019187446.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 2 346.478 3.661 20 0 EHADLO c1nc2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363864 1019187453 /nfs/dbraw/zinc/18/74/53/1019187453.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 2 346.478 3.661 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000125097710 1019196935 /nfs/dbraw/zinc/19/69/35/1019196935.db2.gz WIUGVGGABGNYFC-UHFFFAOYSA-N 1 2 340.814 3.787 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580380532 1019227554 /nfs/dbraw/zinc/22/75/54/1019227554.db2.gz OVMQMDUWXLBZBN-LPHOPBHVSA-N 1 2 325.456 3.511 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580380534 1019227937 /nfs/dbraw/zinc/22/79/37/1019227937.db2.gz OVMQMDUWXLBZBN-VQIMIIECSA-N 1 2 325.456 3.511 20 0 EHADLO Cc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000052754199 1019246206 /nfs/dbraw/zinc/24/62/06/1019246206.db2.gz HEZFWJZWLWKPJC-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803653 1019265932 /nfs/dbraw/zinc/26/59/32/1019265932.db2.gz RDDMNSQFGGBKMK-BXUZGUMPSA-N 1 2 335.860 3.961 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803653 1019265943 /nfs/dbraw/zinc/26/59/43/1019265943.db2.gz RDDMNSQFGGBKMK-BXUZGUMPSA-N 1 2 335.860 3.961 20 0 EHADLO Cc1c[nH+]c(CCNc2cc(-c3nc(C(C)C)no3)ccn2)c(C)c1 ZINC000656210709 1019291438 /nfs/dbraw/zinc/29/14/38/1019291438.db2.gz FECRVRUVWFUPBO-UHFFFAOYSA-N 1 2 337.427 3.921 20 0 EHADLO Cc1cnn(-c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)c1 ZINC000052927324 1019318978 /nfs/dbraw/zinc/31/89/78/1019318978.db2.gz NDEJVWIRLGBRRP-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000580447626 1019382084 /nfs/dbraw/zinc/38/20/84/1019382084.db2.gz NBPMBCBZALJLLD-BZNIZROVSA-N 1 2 337.826 3.894 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000580447626 1019382102 /nfs/dbraw/zinc/38/21/02/1019382102.db2.gz NBPMBCBZALJLLD-BZNIZROVSA-N 1 2 337.826 3.894 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000548097219 1019393596 /nfs/dbraw/zinc/39/35/96/1019393596.db2.gz IBWLZMPQEOKIGA-AOOOYVTPSA-N 1 2 337.395 3.510 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000548097219 1019393610 /nfs/dbraw/zinc/39/36/10/1019393610.db2.gz IBWLZMPQEOKIGA-AOOOYVTPSA-N 1 2 337.395 3.510 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449572664 1032828738 /nfs/dbraw/zinc/82/87/38/1032828738.db2.gz NUFJXCBBGJQCOR-KPZWWZAWSA-N 1 2 339.418 3.620 20 0 EHADLO Fc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnc3ccccn23)cc1 ZINC001203155090 1019414884 /nfs/dbraw/zinc/41/48/84/1019414884.db2.gz LWWXUPQMCDNHNP-KRWDZBQOSA-N 1 2 327.428 3.764 20 0 EHADLO Fc1ccc([C@@H]2CSCC[N@H+]2Cc2cnc3ccccn23)cc1 ZINC001203155090 1019414893 /nfs/dbraw/zinc/41/48/93/1019414893.db2.gz LWWXUPQMCDNHNP-KRWDZBQOSA-N 1 2 327.428 3.764 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449573069 1032829148 /nfs/dbraw/zinc/82/91/48/1032829148.db2.gz PJBXJHBFRHDYSA-QAPCUYQASA-N 1 2 335.455 3.988 20 0 EHADLO c1ccc(C(Nc2cc(N3CCOCC3)nc[nH+]2)c2ccccc2)cc1 ZINC000433615594 1019426033 /nfs/dbraw/zinc/42/60/33/1019426033.db2.gz DNMZZCVUEDNBDS-UHFFFAOYSA-N 1 2 346.434 3.515 20 0 EHADLO c1ccc(C(Nc2cc(N3CCOCC3)[nH+]cn2)c2ccccc2)cc1 ZINC000433615594 1019426043 /nfs/dbraw/zinc/42/60/43/1019426043.db2.gz DNMZZCVUEDNBDS-UHFFFAOYSA-N 1 2 346.434 3.515 20 0 EHADLO c1nc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)oc1C1CC1 ZINC000340697738 1019438262 /nfs/dbraw/zinc/43/82/62/1019438262.db2.gz RGBJVOMOHPBISG-SFHVURJKSA-N 1 2 326.440 3.776 20 0 EHADLO c1nc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)oc1C1CC1 ZINC000340697738 1019438276 /nfs/dbraw/zinc/43/82/76/1019438276.db2.gz RGBJVOMOHPBISG-SFHVURJKSA-N 1 2 326.440 3.776 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(C)c(C)c2)c1C ZINC000050254244 1019469118 /nfs/dbraw/zinc/46/91/18/1019469118.db2.gz NHSLTZQICDUHKE-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614480526 1019508553 /nfs/dbraw/zinc/50/85/53/1019508553.db2.gz CBMPRAGGVXNPBG-QGZVFWFLSA-N 1 2 341.499 3.896 20 0 EHADLO COc1nsc(C[NH2+][C@H](C)c2cnc(C)s2)c1Br ZINC000639382921 1019631956 /nfs/dbraw/zinc/63/19/56/1019631956.db2.gz LMRGEIPMQZEFOK-ZCFIWIBFSA-N 1 2 348.291 3.530 20 0 EHADLO CC(C)C(NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000683990058 1019638604 /nfs/dbraw/zinc/63/86/04/1019638604.db2.gz YKMPZAMSDMQKCL-UHFFFAOYSA-N 1 2 346.519 3.789 20 0 EHADLO c1cc(C2CCC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000433804962 1019649046 /nfs/dbraw/zinc/64/90/46/1019649046.db2.gz SYAUNVGJMDTBFO-UHFFFAOYSA-N 1 2 340.496 3.909 20 0 EHADLO c1cc(C2CCC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000433804962 1019649056 /nfs/dbraw/zinc/64/90/56/1019649056.db2.gz SYAUNVGJMDTBFO-UHFFFAOYSA-N 1 2 340.496 3.909 20 0 EHADLO CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000564397595 1019717140 /nfs/dbraw/zinc/71/71/40/1019717140.db2.gz YUCURBYQGNNJRH-KRWDZBQOSA-N 1 2 344.455 3.721 20 0 EHADLO CCC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000564397595 1019717162 /nfs/dbraw/zinc/71/71/62/1019717162.db2.gz YUCURBYQGNNJRH-KRWDZBQOSA-N 1 2 344.455 3.721 20 0 EHADLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)c2ncnn21 ZINC000664189046 1019718198 /nfs/dbraw/zinc/71/81/98/1019718198.db2.gz WHYALZHVRFEEPH-NOZJJQNGSA-N 1 2 344.216 3.707 20 0 EHADLO CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000664202622 1019746942 /nfs/dbraw/zinc/74/69/42/1019746942.db2.gz WCWPPNRILPTTLD-BFYDXBDKSA-N 1 2 335.492 3.701 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000077309554 1019788544 /nfs/dbraw/zinc/78/85/44/1019788544.db2.gz ZBSVEVLCXXREEX-RTBURBONSA-N 1 2 325.456 3.581 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000684021576 1019831794 /nfs/dbraw/zinc/83/17/94/1019831794.db2.gz PMRRFQXBUWBTFQ-UHFFFAOYSA-N 1 2 326.469 3.509 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC(C)(C)C1 ZINC000580720283 1019907809 /nfs/dbraw/zinc/90/78/09/1019907809.db2.gz BGUZOLPXMKRXSV-ZBFHGGJFSA-N 1 2 326.444 3.727 20 0 EHADLO O=C(CCCc1ccc(F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580722699 1019914507 /nfs/dbraw/zinc/91/45/07/1019914507.db2.gz YLHCSVHJGCQWNT-UHFFFAOYSA-N 1 2 346.471 3.554 20 0 EHADLO c1cn(CCCC2CCN(c3ncnc4sccc43)CC2)c[nH+]1 ZINC000340776952 1019977741 /nfs/dbraw/zinc/97/77/41/1019977741.db2.gz LUVBNFUYURGZNZ-UHFFFAOYSA-N 1 2 327.457 3.585 20 0 EHADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000580753414 1019979881 /nfs/dbraw/zinc/97/98/81/1019979881.db2.gz OLGLNOBEVMWAFP-GJZGRUSLSA-N 1 2 338.860 3.643 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000126399262 1020022041 /nfs/dbraw/zinc/02/20/41/1020022041.db2.gz TZFDZOCBGJYCAO-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000126399262 1020022051 /nfs/dbraw/zinc/02/20/51/1020022051.db2.gz TZFDZOCBGJYCAO-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000345179259 1020029923 /nfs/dbraw/zinc/02/99/23/1020029923.db2.gz ZGUQWQBZBVEZAH-CVEARBPZSA-N 1 2 344.480 3.639 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000345179259 1020029930 /nfs/dbraw/zinc/02/99/30/1020029930.db2.gz ZGUQWQBZBVEZAH-CVEARBPZSA-N 1 2 344.480 3.639 20 0 EHADLO CCOc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000048039033 1020036994 /nfs/dbraw/zinc/03/69/94/1020036994.db2.gz XKMOIMRLXWUNBN-UHFFFAOYSA-N 1 2 345.406 3.826 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000834649952 1020064848 /nfs/dbraw/zinc/06/48/48/1020064848.db2.gz CYYBURTVIGMDTA-ZYHUDNBSSA-N 1 2 341.274 3.944 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000574272664 1032873756 /nfs/dbraw/zinc/87/37/56/1032873756.db2.gz NPTSQWCAHVZIRV-INMHGKMJSA-N 1 2 334.464 3.687 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000574272664 1032873774 /nfs/dbraw/zinc/87/37/74/1032873774.db2.gz NPTSQWCAHVZIRV-INMHGKMJSA-N 1 2 334.464 3.687 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000345336604 1020156462 /nfs/dbraw/zinc/15/64/62/1020156462.db2.gz PXONABLOJBKKLX-SJORKVTESA-N 1 2 325.456 3.764 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(OC)cc2Br)o1 ZINC000449612033 1032879712 /nfs/dbraw/zinc/87/97/12/1032879712.db2.gz JKWBQCOJNAGXSJ-UHFFFAOYSA-N 1 2 339.233 3.688 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)NCc1c[nH+]cn1C ZINC000292034971 1020246723 /nfs/dbraw/zinc/24/67/23/1020246723.db2.gz QJPHXWMCBOAQJT-UHFFFAOYSA-N 1 2 334.851 3.585 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H]3c3ccc(Cl)cc3)cnc2n1 ZINC000093686136 1032899441 /nfs/dbraw/zinc/89/94/41/1032899441.db2.gz HFLRBTZSTSAZAK-QGZVFWFLSA-N 1 2 326.831 3.947 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CC[C@@H]3c3ccc(Cl)cc3)cnc2n1 ZINC000093686136 1032899454 /nfs/dbraw/zinc/89/94/54/1032899454.db2.gz HFLRBTZSTSAZAK-QGZVFWFLSA-N 1 2 326.831 3.947 20 0 EHADLO Cc1nc(N[C@H](CCO)c2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC000340887465 1020535706 /nfs/dbraw/zinc/53/57/06/1020535706.db2.gz DRASEPWZWKCPJP-MRXNPFEDSA-N 1 2 331.847 3.853 20 0 EHADLO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1ncc[nH]1 ZINC000067691331 1020651292 /nfs/dbraw/zinc/65/12/92/1020651292.db2.gz IYKNDTFNXROLQS-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419445090 1020657533 /nfs/dbraw/zinc/65/75/33/1020657533.db2.gz UMPRVBDLKLCPKS-IRXDYDNUSA-N 1 2 346.519 3.618 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cc3c2OCC3)oc1C ZINC000340941870 1020658484 /nfs/dbraw/zinc/65/84/84/1020658484.db2.gz CQGMRIXKCUEHHB-UHFFFAOYSA-N 1 2 349.814 3.595 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCC3)oc1C ZINC000340941870 1020658489 /nfs/dbraw/zinc/65/84/89/1020658489.db2.gz CQGMRIXKCUEHHB-UHFFFAOYSA-N 1 2 349.814 3.595 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000276142882 1020711815 /nfs/dbraw/zinc/71/18/15/1020711815.db2.gz CTUQOVMFCPATTI-HUUCEWRRSA-N 1 2 343.475 3.907 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000341035674 1020894730 /nfs/dbraw/zinc/89/47/30/1020894730.db2.gz PNCWGAVPNWMGTQ-IBGZPJMESA-N 1 2 344.434 3.733 20 0 EHADLO C[C@H](CCc1ccco1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341040369 1020897108 /nfs/dbraw/zinc/89/71/08/1020897108.db2.gz NWEYYCUOPWQJLP-CRAIPNDOSA-N 1 2 337.423 3.662 20 0 EHADLO c1ccc([C@@H]2CC[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)O2)cc1 ZINC000341041227 1020898184 /nfs/dbraw/zinc/89/81/84/1020898184.db2.gz JMTRHBFLBQGRKC-MSOLQXFVSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@@H]2CC[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)O2)cc1 ZINC000341041227 1020898193 /nfs/dbraw/zinc/89/81/93/1020898193.db2.gz JMTRHBFLBQGRKC-MSOLQXFVSA-N 1 2 338.455 3.799 20 0 EHADLO CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001125502800 1020926302 /nfs/dbraw/zinc/92/63/02/1020926302.db2.gz HTEBVQDTPTXPPB-UHFFFAOYSA-N 1 2 342.786 3.507 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccn(-c4ccc(F)cc4C)n3)ccc2[nH+]1 ZINC000341136080 1021000213 /nfs/dbraw/zinc/00/02/13/1021000213.db2.gz ZBJXPIMHOXYKCF-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(F)cn2)c(SC)cc1OC ZINC000276320834 1021030680 /nfs/dbraw/zinc/03/06/80/1021030680.db2.gz FGSFHIMNPZPACQ-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(F)cn2)c(SC)cc1OC ZINC000276320834 1021030683 /nfs/dbraw/zinc/03/06/83/1021030683.db2.gz FGSFHIMNPZPACQ-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO FC[C@H]1CCCN1c1cc(N2CCC[C@H]2CF)[nH+]c2cnccc21 ZINC000292683514 1021072800 /nfs/dbraw/zinc/07/28/00/1021072800.db2.gz DWYGSYRDWGNZSV-KGLIPLIRSA-N 1 2 332.398 3.506 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@]2(CC2(F)F)C1 ZINC000593523332 1032956992 /nfs/dbraw/zinc/95/69/92/1032956992.db2.gz XMPKDXMCPZXDLG-KRWDZBQOSA-N 1 2 332.350 3.647 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000656686296 1021167877 /nfs/dbraw/zinc/16/78/77/1021167877.db2.gz BJYAKBKLPALHKB-UHFFFAOYSA-N 1 2 325.277 3.681 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000341257467 1021207027 /nfs/dbraw/zinc/20/70/27/1021207027.db2.gz GYPURVYUFPTWKM-INIZCTEOSA-N 1 2 344.503 3.562 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)ccc2[nH+]1 ZINC000439170374 1021209597 /nfs/dbraw/zinc/20/95/97/1021209597.db2.gz OYOIGSGYSFBSJH-GHTZIAJQSA-N 1 2 331.419 3.875 20 0 EHADLO Cn1c2ccc(CNc3c[nH+]ccc3OC(C)(C)C)cc2sc1=O ZINC000341258387 1021212988 /nfs/dbraw/zinc/21/29/88/1021212988.db2.gz IDTKNXJIVLYPDH-UHFFFAOYSA-N 1 2 343.452 3.784 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000341260079 1021222788 /nfs/dbraw/zinc/22/27/88/1021222788.db2.gz MKZYAXUVDSVSCN-RTBURBONSA-N 1 2 331.419 3.567 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3c(c1)OCCO3)[C@H]2c1ccccc1 ZINC000507370517 1021225246 /nfs/dbraw/zinc/22/52/46/1021225246.db2.gz WYTRVFWEMGHNIE-QFIPXVFZSA-N 1 2 346.430 3.865 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3c(c1)OCCO3)[C@H]2c1ccccc1 ZINC000507370517 1021225254 /nfs/dbraw/zinc/22/52/54/1021225254.db2.gz WYTRVFWEMGHNIE-QFIPXVFZSA-N 1 2 346.430 3.865 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cn1 ZINC000684357018 1021247329 /nfs/dbraw/zinc/24/73/29/1021247329.db2.gz NZNANUAAWYBRIU-KRWDZBQOSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cn1 ZINC000684357018 1021247333 /nfs/dbraw/zinc/24/73/33/1021247333.db2.gz NZNANUAAWYBRIU-KRWDZBQOSA-N 1 2 326.444 3.810 20 0 EHADLO CCCCC1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000516272650 1021255601 /nfs/dbraw/zinc/25/56/01/1021255601.db2.gz VABOEYRTEFJOJD-UHFFFAOYSA-N 1 2 344.503 3.662 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000516310581 1021288944 /nfs/dbraw/zinc/28/89/44/1021288944.db2.gz KUJQWYRBGHUWBX-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000516310581 1021288955 /nfs/dbraw/zinc/28/89/55/1021288955.db2.gz KUJQWYRBGHUWBX-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001141554543 1021296647 /nfs/dbraw/zinc/29/66/47/1021296647.db2.gz AQDILOYLMFXTTB-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001141554543 1021296653 /nfs/dbraw/zinc/29/66/53/1021296653.db2.gz AQDILOYLMFXTTB-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO CC[C@@H]1C[C@]1(NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C)c1 ZINC000507498668 1021298550 /nfs/dbraw/zinc/29/85/50/1021298550.db2.gz QZEODUGQMXWSGR-DYESRHJHSA-N 1 2 348.450 3.767 20 0 EHADLO Cn1ncc(C(F)(F)F)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000656768111 1021304014 /nfs/dbraw/zinc/30/40/14/1021304014.db2.gz SQNOVPSHOJLXAJ-UHFFFAOYSA-N 1 2 343.740 3.591 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000507492881 1021306856 /nfs/dbraw/zinc/30/68/56/1021306856.db2.gz GANLNSDCMQUDMZ-ZDUSSCGKSA-N 1 2 330.428 3.521 20 0 EHADLO CCN(CCC[NH+]1CCCC1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436885181 1021335156 /nfs/dbraw/zinc/33/51/56/1021335156.db2.gz JAGGASPNDFCUPU-UHFFFAOYSA-N 1 2 345.270 3.647 20 0 EHADLO O=C1N[C@H](c2ccc(-n3cc[nH+]c3)cc2)Nc2c3ccccc3sc21 ZINC000172859571 1032971379 /nfs/dbraw/zinc/97/13/79/1032971379.db2.gz QACAJSCGUORDHZ-GOSISDBHSA-N 1 2 346.415 3.941 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(C)cc(Cl)c2)CC1 ZINC000507540465 1021342302 /nfs/dbraw/zinc/34/23/02/1021342302.db2.gz XHIBBWGPJSLANQ-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1cccc(Br)c1 ZINC000048891467 1021343317 /nfs/dbraw/zinc/34/33/17/1021343317.db2.gz PKGQQBRCYWWRDO-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000048891467 1021343331 /nfs/dbraw/zinc/34/33/31/1021343331.db2.gz PKGQQBRCYWWRDO-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872838 1021371447 /nfs/dbraw/zinc/37/14/47/1021371447.db2.gz XGETVQMSSPZFTH-NSHDSACASA-N 1 2 343.456 3.667 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872838 1021371461 /nfs/dbraw/zinc/37/14/61/1021371461.db2.gz XGETVQMSSPZFTH-NSHDSACASA-N 1 2 343.456 3.667 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)s1 ZINC000353581338 1021392936 /nfs/dbraw/zinc/39/29/36/1021392936.db2.gz LBADKRJKACQDJA-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(O)c1C ZINC000436941051 1021401197 /nfs/dbraw/zinc/40/11/97/1021401197.db2.gz ZRXMVYPFSOOMDG-UHFFFAOYSA-N 1 2 332.363 3.912 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1ccccc1Oc1cccc(F)c1 ZINC000518662512 1021410465 /nfs/dbraw/zinc/41/04/65/1021410465.db2.gz HJTRSEKNPPVNIO-UHFFFAOYSA-N 1 2 339.370 3.521 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000107503200 1032978248 /nfs/dbraw/zinc/97/82/48/1032978248.db2.gz FJFHDXYOMRFTAE-UHFFFAOYSA-N 1 2 346.740 3.767 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CC3(CCC3)C2)c(C)c1 ZINC000516470231 1021459552 /nfs/dbraw/zinc/45/95/52/1021459552.db2.gz JEKDEOVHXVOZJB-IBGZPJMESA-N 1 2 337.467 3.938 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000427526204 1021460808 /nfs/dbraw/zinc/46/08/08/1021460808.db2.gz BTISNCRAFWBGLX-LJQANCHMSA-N 1 2 325.456 3.597 20 0 EHADLO C[C@H]1CCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000439492974 1021483660 /nfs/dbraw/zinc/48/36/60/1021483660.db2.gz CNCBCYJNNBWVFY-HOTGVXAUSA-N 1 2 342.443 3.520 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc(Cl)cc(Cl)c2N)C1 ZINC000638818576 1021500491 /nfs/dbraw/zinc/50/04/91/1021500491.db2.gz ZCCCWZZFZPEWSQ-MRXNPFEDSA-N 1 2 336.266 3.852 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc(Cl)cc(Cl)c2N)C1 ZINC000638818576 1021500498 /nfs/dbraw/zinc/50/04/98/1021500498.db2.gz ZCCCWZZFZPEWSQ-MRXNPFEDSA-N 1 2 336.266 3.852 20 0 EHADLO COc1cc[nH+]cc1Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000341359198 1021525563 /nfs/dbraw/zinc/52/55/63/1021525563.db2.gz NQOFEIGKZKWQEE-UHFFFAOYSA-N 1 2 344.212 3.765 20 0 EHADLO CCNc1cc(CNc2nc(-c3cccnc3)nc(C)c2C)cc[nH+]1 ZINC000894870605 1021543605 /nfs/dbraw/zinc/54/36/05/1021543605.db2.gz MSCCYTQDGFWWOD-UHFFFAOYSA-N 1 2 334.427 3.594 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000519646061 1021593826 /nfs/dbraw/zinc/59/38/26/1021593826.db2.gz KTLBCFAERXTAQO-OAHLLOKOSA-N 1 2 343.471 3.675 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000519646061 1021593840 /nfs/dbraw/zinc/59/38/40/1021593840.db2.gz KTLBCFAERXTAQO-OAHLLOKOSA-N 1 2 343.471 3.675 20 0 EHADLO Cc1c(CN(C)c2cc[nH+]c3c(Br)cccc23)cnn1C ZINC000516620818 1021604363 /nfs/dbraw/zinc/60/43/63/1021604363.db2.gz KNJHEWMPKBGSJT-UHFFFAOYSA-N 1 2 345.244 3.676 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc2cc[nH]c21 ZINC000079701023 1021703123 /nfs/dbraw/zinc/70/31/23/1021703123.db2.gz QBPGKYMJQLDPBF-UHFFFAOYSA-N 1 2 340.452 3.863 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000083248271 1021710061 /nfs/dbraw/zinc/71/00/61/1021710061.db2.gz WRZPMCIPPXLZAI-INIZCTEOSA-N 1 2 348.450 3.501 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000083248271 1021710074 /nfs/dbraw/zinc/71/00/74/1021710074.db2.gz WRZPMCIPPXLZAI-INIZCTEOSA-N 1 2 348.450 3.501 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000439795965 1021718910 /nfs/dbraw/zinc/71/89/10/1021718910.db2.gz VYFAZLNENIEHKU-CEXWTWQISA-N 1 2 337.467 3.549 20 0 EHADLO Cc1nc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2c([nH+]1)CCCC2 ZINC000519846756 1021720406 /nfs/dbraw/zinc/72/04/06/1021720406.db2.gz WDVRJVKAIPIFGG-SVFBPWRDSA-N 1 2 349.478 3.673 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000289482489 1021748170 /nfs/dbraw/zinc/74/81/70/1021748170.db2.gz ZYYJYSXLYHCDJA-UHFFFAOYSA-N 1 2 341.430 3.598 20 0 EHADLO c1ccc2oc(C[NH2+]Cc3ccc(N4CCCCCC4)nc3)nc2c1 ZINC000638378279 1021756588 /nfs/dbraw/zinc/75/65/88/1021756588.db2.gz PQRCZWIGCZABDD-UHFFFAOYSA-N 1 2 336.439 3.893 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCOc4ccc(F)cc4C3)cc2c1 ZINC000426510817 1021766014 /nfs/dbraw/zinc/76/60/14/1021766014.db2.gz PEVKLAWJDNHFQC-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCOc4ccc(F)cc4C3)cc2c1 ZINC000426510817 1021766030 /nfs/dbraw/zinc/76/60/30/1021766030.db2.gz PEVKLAWJDNHFQC-UHFFFAOYSA-N 1 2 327.355 3.975 20 0 EHADLO CCC[N@H+](CC(=O)N(C)CC)[C@H](C)c1ccccc1Br ZINC000519904217 1021770724 /nfs/dbraw/zinc/77/07/24/1021770724.db2.gz ZAANZZUGOJIVBO-CYBMUJFWSA-N 1 2 341.293 3.700 20 0 EHADLO CCC[N@@H+](CC(=O)N(C)CC)[C@H](C)c1ccccc1Br ZINC000519904217 1021770740 /nfs/dbraw/zinc/77/07/40/1021770740.db2.gz ZAANZZUGOJIVBO-CYBMUJFWSA-N 1 2 341.293 3.700 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440821214 1021791301 /nfs/dbraw/zinc/79/13/01/1021791301.db2.gz AAXZIRUMOVRCFA-VDZJLULYSA-N 1 2 342.487 3.975 20 0 EHADLO CCC(CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440837321 1021812296 /nfs/dbraw/zinc/81/22/96/1021812296.db2.gz XACLIQHOMHYITE-GOSISDBHSA-N 1 2 328.460 3.729 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(N4CCCCCC4)nc3)ccc2[nH+]1 ZINC000519075428 1021817109 /nfs/dbraw/zinc/81/71/09/1021817109.db2.gz FGRCLLYGDFIAND-UHFFFAOYSA-N 1 2 349.438 3.670 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccccc2)c(C)c1 ZINC000440824438 1021820093 /nfs/dbraw/zinc/82/00/93/1021820093.db2.gz XWIZSDRUOGZLOH-HXUWFJFHSA-N 1 2 348.450 3.741 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000440895337 1021852426 /nfs/dbraw/zinc/85/24/26/1021852426.db2.gz YIUNVQOOPULKGX-DNVCBOLYSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000440895337 1021852442 /nfs/dbraw/zinc/85/24/42/1021852442.db2.gz YIUNVQOOPULKGX-DNVCBOLYSA-N 1 2 338.451 3.999 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1F ZINC000437533087 1021926777 /nfs/dbraw/zinc/92/67/77/1021926777.db2.gz DZVCCNJBIAVECR-HUUCEWRRSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1F ZINC000437533087 1021926788 /nfs/dbraw/zinc/92/67/88/1021926788.db2.gz DZVCCNJBIAVECR-HUUCEWRRSA-N 1 2 342.867 3.778 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000139805012 1033016503 /nfs/dbraw/zinc/01/65/03/1033016503.db2.gz PDLIXTNIRRZSDQ-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000139805012 1033016518 /nfs/dbraw/zinc/01/65/18/1033016518.db2.gz PDLIXTNIRRZSDQ-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000519206116 1021933286 /nfs/dbraw/zinc/93/32/86/1021933286.db2.gz MKHRDGUNLBCVHL-KZNAEPCWSA-N 1 2 344.503 3.932 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccn(C)n1 ZINC000593723361 1033016403 /nfs/dbraw/zinc/01/64/03/1033016403.db2.gz MIVJJWVJFZSSSZ-XCRHUMRWSA-N 1 2 341.455 3.641 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000519216003 1021936341 /nfs/dbraw/zinc/93/63/41/1021936341.db2.gz WTCUNOXKCUQMHW-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000519216003 1021936353 /nfs/dbraw/zinc/93/63/53/1021936353.db2.gz WTCUNOXKCUQMHW-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081604928 1021959229 /nfs/dbraw/zinc/95/92/29/1021959229.db2.gz LCKDOAKDSKRYRR-GOSISDBHSA-N 1 2 328.843 3.989 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081604928 1021959235 /nfs/dbraw/zinc/95/92/35/1021959235.db2.gz LCKDOAKDSKRYRR-GOSISDBHSA-N 1 2 328.843 3.989 20 0 EHADLO CCOc1c(Cl)cc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341466716 1021999035 /nfs/dbraw/zinc/99/90/35/1021999035.db2.gz UJOGGVIMTAFQPC-UHFFFAOYSA-N 1 2 347.846 3.757 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccccc2)no1)[C@@H](C)c1ccccc1 ZINC000520183156 1022001828 /nfs/dbraw/zinc/00/18/28/1022001828.db2.gz JAWFLEDAKOGSFL-INIZCTEOSA-N 1 2 337.423 3.946 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccccc2)no1)[C@@H](C)c1ccccc1 ZINC000520183156 1022001840 /nfs/dbraw/zinc/00/18/40/1022001840.db2.gz JAWFLEDAKOGSFL-INIZCTEOSA-N 1 2 337.423 3.946 20 0 EHADLO CCCN(C[C@@H]1COc2ccccc2O1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341470727 1022012702 /nfs/dbraw/zinc/01/27/02/1022012702.db2.gz GWTDRVQBGFMZQW-MRXNPFEDSA-N 1 2 339.439 3.719 20 0 EHADLO Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000341489410 1022025626 /nfs/dbraw/zinc/02/56/26/1022025626.db2.gz SSLVYIJGCGMEIN-UHFFFAOYSA-N 1 2 328.847 3.642 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548281886 1022040286 /nfs/dbraw/zinc/04/02/86/1022040286.db2.gz XJVOQZNKKOKJCK-IRXDYDNUSA-N 1 2 340.471 3.675 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cs1 ZINC000341506408 1022042897 /nfs/dbraw/zinc/04/28/97/1022042897.db2.gz MKTSHGRRWFEFFM-QGZVFWFLSA-N 1 2 345.512 3.795 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc3ccccc3o2)[C@H]2CCCO2)cc1 ZINC000638431260 1022090566 /nfs/dbraw/zinc/09/05/66/1022090566.db2.gz QQFFPIOISZMXJX-MJGOQNOKSA-N 1 2 326.371 3.977 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214055 1022124827 /nfs/dbraw/zinc/12/48/27/1022124827.db2.gz NBIDALOWGRPEHE-XYPHTWIQSA-N 1 2 344.282 3.918 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214055 1022124841 /nfs/dbraw/zinc/12/48/41/1022124841.db2.gz NBIDALOWGRPEHE-XYPHTWIQSA-N 1 2 344.282 3.918 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000441331322 1022166379 /nfs/dbraw/zinc/16/63/79/1022166379.db2.gz NPMINSXTNMMJKQ-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1ccncc1OCC(F)F ZINC000441343885 1022198670 /nfs/dbraw/zinc/19/86/70/1022198670.db2.gz BALCCQSEDQUGIK-UHFFFAOYSA-N 1 2 342.773 3.677 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1Cl ZINC000894912844 1022236926 /nfs/dbraw/zinc/23/69/26/1022236926.db2.gz JAZVPNLUJOEUBT-GOSISDBHSA-N 1 2 345.874 3.736 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1Cl ZINC000894912844 1022236941 /nfs/dbraw/zinc/23/69/41/1022236941.db2.gz JAZVPNLUJOEUBT-GOSISDBHSA-N 1 2 345.874 3.736 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1 ZINC000437898182 1022240231 /nfs/dbraw/zinc/24/02/31/1022240231.db2.gz TXBIKLOCKRNHSM-SJORKVTESA-N 1 2 337.467 3.578 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1 ZINC000437898182 1022240236 /nfs/dbraw/zinc/24/02/36/1022240236.db2.gz TXBIKLOCKRNHSM-SJORKVTESA-N 1 2 337.467 3.578 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000473628503 1022277316 /nfs/dbraw/zinc/27/73/16/1022277316.db2.gz VXYKALFWGDXAGU-UAPYVXQJSA-N 1 2 343.515 3.589 20 0 EHADLO CC[C@@H](C)N(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000664974570 1022308649 /nfs/dbraw/zinc/30/86/49/1022308649.db2.gz HGQBFCIOJJUMMU-CYBMUJFWSA-N 1 2 334.851 3.856 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000517409993 1022315670 /nfs/dbraw/zinc/31/56/70/1022315670.db2.gz GFABYPJHRNYUIN-UXHICEINSA-N 1 2 333.435 3.736 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000894470603 1022349262 /nfs/dbraw/zinc/34/92/62/1022349262.db2.gz NRFOFZPBJKIHTM-SJDLMVEWSA-N 1 2 331.460 3.674 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000187857531 1022352697 /nfs/dbraw/zinc/35/26/97/1022352697.db2.gz PAHFIYCWQGIWJL-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO C[N@H+](Cc1csc(C(F)(F)F)n1)C[C@](C)(O)c1ccccc1 ZINC000895011151 1022379532 /nfs/dbraw/zinc/37/95/32/1022379532.db2.gz BDVWQHOZENWNFZ-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1csc(C(F)(F)F)n1)C[C@](C)(O)c1ccccc1 ZINC000895011151 1022379543 /nfs/dbraw/zinc/37/95/43/1022379543.db2.gz BDVWQHOZENWNFZ-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCC3(C2)CCCCC3)c1=S ZINC000172937720 1033049808 /nfs/dbraw/zinc/04/98/08/1033049808.db2.gz UWUOUHRJVUWPBI-UHFFFAOYSA-N 1 2 334.411 3.590 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCC3(C2)CCCCC3)c1=S ZINC000172937720 1033049820 /nfs/dbraw/zinc/04/98/20/1033049820.db2.gz UWUOUHRJVUWPBI-UHFFFAOYSA-N 1 2 334.411 3.590 20 0 EHADLO CCO[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C12CCCC2 ZINC000438135899 1022414190 /nfs/dbraw/zinc/41/41/90/1022414190.db2.gz LISFWIIQCGFLMH-HOTGVXAUSA-N 1 2 342.443 3.502 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1C1CC1 ZINC000528908687 1033054927 /nfs/dbraw/zinc/05/49/27/1033054927.db2.gz WQYMCCXVTXGHQK-SVIJTADQSA-N 1 2 333.435 3.832 20 0 EHADLO COCCC1(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CCCC1 ZINC000471821626 1022421436 /nfs/dbraw/zinc/42/14/36/1022421436.db2.gz RUWQPTPINFYABX-UHFFFAOYSA-N 1 2 341.455 3.507 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124112970 1022446052 /nfs/dbraw/zinc/44/60/52/1022446052.db2.gz GUSOHPUGNGOKGA-DZGCQCFKSA-N 1 2 346.500 3.570 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)o1 ZINC000328677258 1022464339 /nfs/dbraw/zinc/46/43/39/1022464339.db2.gz ALTUMOSTGGTRLP-BDJLRTHQSA-N 1 2 326.400 3.536 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827320 1022503787 /nfs/dbraw/zinc/50/37/87/1022503787.db2.gz JAGHCQUCNKGULF-QFBILLFUSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827320 1022503792 /nfs/dbraw/zinc/50/37/92/1022503792.db2.gz JAGHCQUCNKGULF-QFBILLFUSA-N 1 2 337.467 3.512 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc4nccn43)n2)cc1 ZINC000276738330 1022527530 /nfs/dbraw/zinc/52/75/30/1022527530.db2.gz IJSSVMJCOHWUKP-CQSZACIVSA-N 1 2 347.422 3.798 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)NCc3cccc4[nH+]ccn43)n2)cc1 ZINC000276738330 1022527545 /nfs/dbraw/zinc/52/75/45/1022527545.db2.gz IJSSVMJCOHWUKP-CQSZACIVSA-N 1 2 347.422 3.798 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1(C)C ZINC000894556644 1022529024 /nfs/dbraw/zinc/52/90/24/1022529024.db2.gz GXZDEIIIPIBQDI-RRFJBIMHSA-N 1 2 339.480 3.629 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831485 1022550671 /nfs/dbraw/zinc/55/06/71/1022550671.db2.gz GNVZCNVLTYXLPB-GUXCAODWSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831485 1022550683 /nfs/dbraw/zinc/55/06/83/1022550683.db2.gz GNVZCNVLTYXLPB-GUXCAODWSA-N 1 2 349.478 3.831 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1C ZINC000051335115 1022551497 /nfs/dbraw/zinc/55/14/97/1022551497.db2.gz BOWUKRNEKHSBHA-CQSZACIVSA-N 1 2 345.418 3.749 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000276742771 1022554620 /nfs/dbraw/zinc/55/46/20/1022554620.db2.gz ZMQUFBYKMVXUSB-OCCSQVGLSA-N 1 2 341.484 3.583 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(C)(C)CC)[C@H](C)C1 ZINC000441432183 1022574826 /nfs/dbraw/zinc/57/48/26/1022574826.db2.gz WZUUWNJNXDHNJH-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(C)(C)CC)[C@H](C)C1 ZINC000441432183 1022574832 /nfs/dbraw/zinc/57/48/32/1022574832.db2.gz WZUUWNJNXDHNJH-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000330423707 1022584914 /nfs/dbraw/zinc/58/49/14/1022584914.db2.gz GWSRQXZDKHWNIZ-IONNQARKSA-N 1 2 347.410 3.634 20 0 EHADLO Cc1cc(NCc2cc(Br)no2)[nH+]cc1C(F)(F)F ZINC001167492685 1022613902 /nfs/dbraw/zinc/61/39/02/1022613902.db2.gz NUIXZMBWPHOBBU-UHFFFAOYSA-N 1 2 336.111 3.771 20 0 EHADLO Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063176255 1033068458 /nfs/dbraw/zinc/06/84/58/1033068458.db2.gz WSUOUXWYULMSMI-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000151406577 1022641516 /nfs/dbraw/zinc/64/15/16/1022641516.db2.gz YGJQJNDTSCQXJU-YLJYHZDGSA-N 1 2 325.456 3.972 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000430750303 1022652354 /nfs/dbraw/zinc/65/23/54/1022652354.db2.gz BJABDWQQFBJYRN-UHFFFAOYSA-N 1 2 337.345 3.575 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000430750303 1022652355 /nfs/dbraw/zinc/65/23/55/1022652355.db2.gz BJABDWQQFBJYRN-UHFFFAOYSA-N 1 2 337.345 3.575 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 ZINC000330833750 1022684343 /nfs/dbraw/zinc/68/43/43/1022684343.db2.gz VTUHBTGTCBHNQY-ZJUUUORDSA-N 1 2 330.354 3.770 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430777252 1022684391 /nfs/dbraw/zinc/68/43/91/1022684391.db2.gz UVBAPBRCKSOXDS-PBFPGSCMSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430777252 1022684397 /nfs/dbraw/zinc/68/43/97/1022684397.db2.gz UVBAPBRCKSOXDS-PBFPGSCMSA-N 1 2 327.827 3.638 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cc(C(=O)OC)oc3C)CCO2)cc1 ZINC000517802575 1022692531 /nfs/dbraw/zinc/69/25/31/1022692531.db2.gz NJRAPDRZWYEZJV-LJQANCHMSA-N 1 2 343.423 3.511 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cc(C(=O)OC)oc3C)CCO2)cc1 ZINC000517802575 1022692536 /nfs/dbraw/zinc/69/25/36/1022692536.db2.gz NJRAPDRZWYEZJV-LJQANCHMSA-N 1 2 343.423 3.511 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3(F)CCCC3)n2)O1 ZINC000665011521 1022702890 /nfs/dbraw/zinc/70/28/90/1022702890.db2.gz UYMINSCOFLMQSE-ZBFHGGJFSA-N 1 2 345.418 3.770 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3(F)CCCC3)n2)O1 ZINC000665011521 1022702906 /nfs/dbraw/zinc/70/29/06/1022702906.db2.gz UYMINSCOFLMQSE-ZBFHGGJFSA-N 1 2 345.418 3.770 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2c(F)cccc2-n2cccn2)s1 ZINC000449688347 1033075072 /nfs/dbraw/zinc/07/50/72/1033075072.db2.gz GMJMNBAMWPXDAS-UHFFFAOYSA-N 1 2 330.432 3.881 20 0 EHADLO COCc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1 ZINC000550238648 1022828365 /nfs/dbraw/zinc/82/83/65/1022828365.db2.gz BYMHJSWTHJVSKR-MRXNPFEDSA-N 1 2 331.378 3.765 20 0 EHADLO COCc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1 ZINC000550238648 1022828369 /nfs/dbraw/zinc/82/83/69/1022828369.db2.gz BYMHJSWTHJVSKR-MRXNPFEDSA-N 1 2 331.378 3.765 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)on1 ZINC000506293387 1022854764 /nfs/dbraw/zinc/85/47/64/1022854764.db2.gz CQEJPYSMJWYSIL-UHFFFAOYSA-N 1 2 333.501 3.660 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)ccc1OC ZINC000894771773 1022866858 /nfs/dbraw/zinc/86/68/58/1022866858.db2.gz VOHQDRWDKSIWEV-CYBMUJFWSA-N 1 2 332.448 3.542 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000426087289 1022866761 /nfs/dbraw/zinc/86/67/61/1022866761.db2.gz VSFFITYETFDPIB-MCIONIFRSA-N 1 2 346.397 3.597 20 0 EHADLO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000519574824 1022884605 /nfs/dbraw/zinc/88/46/05/1022884605.db2.gz PEKNYSXZTMARMU-UHFFFAOYSA-N 1 2 331.419 3.830 20 0 EHADLO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000519574824 1022884613 /nfs/dbraw/zinc/88/46/13/1022884613.db2.gz PEKNYSXZTMARMU-UHFFFAOYSA-N 1 2 331.419 3.830 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2CCC[C@@H]21 ZINC000426092298 1022885323 /nfs/dbraw/zinc/88/53/23/1022885323.db2.gz QMYNXDWNQHXSQT-ZFWWWQNUSA-N 1 2 334.489 3.535 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517961222 1022886793 /nfs/dbraw/zinc/88/67/93/1022886793.db2.gz VCBZGSXGQRJSSM-BJZITVGISA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517961222 1022886813 /nfs/dbraw/zinc/88/68/13/1022886813.db2.gz VCBZGSXGQRJSSM-BJZITVGISA-N 1 2 325.456 3.664 20 0 EHADLO C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000426110429 1022914889 /nfs/dbraw/zinc/91/48/89/1022914889.db2.gz CVZBIOQPKKQPCP-VBKFSLOCSA-N 1 2 334.423 3.579 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441457046 1022916405 /nfs/dbraw/zinc/91/64/05/1022916405.db2.gz IRIYOVRBCOCLCV-OAHLLOKOSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441457046 1022916412 /nfs/dbraw/zinc/91/64/12/1022916412.db2.gz IRIYOVRBCOCLCV-OAHLLOKOSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000029810141 1022959009 /nfs/dbraw/zinc/95/90/09/1022959009.db2.gz VRUUHYUQWNIXNP-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000029810141 1022959028 /nfs/dbraw/zinc/95/90/28/1022959028.db2.gz VRUUHYUQWNIXNP-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO CC(=O)Nc1nc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cs1 ZINC000438737586 1022961868 /nfs/dbraw/zinc/96/18/68/1022961868.db2.gz XZHUFCFHDDOQAO-KRWDZBQOSA-N 1 2 327.453 3.753 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cs1 ZINC000438737586 1022961884 /nfs/dbraw/zinc/96/18/84/1022961884.db2.gz XZHUFCFHDDOQAO-KRWDZBQOSA-N 1 2 327.453 3.753 20 0 EHADLO Fc1ccc(Cn2cc(CNc3cccc(-n4cc[nH+]c4)c3)cn2)cc1 ZINC000189324919 1023003134 /nfs/dbraw/zinc/00/31/34/1023003134.db2.gz XQXWPFARLBWYPI-UHFFFAOYSA-N 1 2 347.397 3.868 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2n1CCCCC2 ZINC000007143469 1023009871 /nfs/dbraw/zinc/00/98/71/1023009871.db2.gz UNKNXTRLMSLQIT-CYBMUJFWSA-N 1 2 334.514 3.997 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2c2cccs2)nc2n1CCCCC2 ZINC000007143469 1023009888 /nfs/dbraw/zinc/00/98/88/1023009888.db2.gz UNKNXTRLMSLQIT-CYBMUJFWSA-N 1 2 334.514 3.997 20 0 EHADLO CC(C)c1nc2n(n1)C[C@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)CC2 ZINC000161952229 1023038313 /nfs/dbraw/zinc/03/83/13/1023038313.db2.gz YHVIMEMTEGZZQJ-CQSZACIVSA-N 1 2 342.491 3.865 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(OCC3CCCCC3)CC2)c1Cl ZINC000891845520 1023043527 /nfs/dbraw/zinc/04/35/27/1023043527.db2.gz PDUWNQIXUKXURD-UHFFFAOYSA-N 1 2 339.911 3.943 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3c(Cl)cnn3C)CC2)cc1C ZINC000189751771 1023100034 /nfs/dbraw/zinc/10/00/34/1023100034.db2.gz ZMVQJYWFJLRUMP-UHFFFAOYSA-N 1 2 333.863 3.734 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1nc3c(s1)CCC3)O[C@@H](C)C2 ZINC000134728803 1033106217 /nfs/dbraw/zinc/10/62/17/1033106217.db2.gz QEKJHRNZOWJDDQ-NWDGAFQWSA-N 1 2 344.480 3.815 20 0 EHADLO COc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1SC ZINC000895068108 1023132360 /nfs/dbraw/zinc/13/23/60/1023132360.db2.gz JEYDGZZGRIEYNQ-UHFFFAOYSA-N 1 2 329.469 3.578 20 0 EHADLO COc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1SC ZINC000895068108 1023132352 /nfs/dbraw/zinc/13/23/52/1023132352.db2.gz JEYDGZZGRIEYNQ-UHFFFAOYSA-N 1 2 329.469 3.578 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000476309455 1033107581 /nfs/dbraw/zinc/10/75/81/1033107581.db2.gz YFTRLIBDUWHEEB-DZGCQCFKSA-N 1 2 343.446 3.963 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000476309455 1033107586 /nfs/dbraw/zinc/10/75/86/1033107586.db2.gz YFTRLIBDUWHEEB-DZGCQCFKSA-N 1 2 343.446 3.963 20 0 EHADLO CC[C@@](C)(O)CN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000438905211 1023137311 /nfs/dbraw/zinc/13/73/11/1023137311.db2.gz XLUNVCVLOLCOSY-HXUWFJFHSA-N 1 2 325.456 3.830 20 0 EHADLO CC[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1Br ZINC000507116436 1023145788 /nfs/dbraw/zinc/14/57/88/1023145788.db2.gz LHCSNFLRNODBLN-UHFFFAOYSA-N 1 2 347.256 3.570 20 0 EHADLO CC[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1Br ZINC000507116436 1023145791 /nfs/dbraw/zinc/14/57/91/1023145791.db2.gz LHCSNFLRNODBLN-UHFFFAOYSA-N 1 2 347.256 3.570 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCc2ccco2)c(C)c1 ZINC000441483894 1023163981 /nfs/dbraw/zinc/16/39/81/1023163981.db2.gz XGQSEAOYIXOHEX-LJQANCHMSA-N 1 2 337.423 3.583 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccs2)c(C)c1 ZINC000441483636 1023165480 /nfs/dbraw/zinc/16/54/80/1023165480.db2.gz WLFYQTORSTXFEZ-MRXNPFEDSA-N 1 2 325.437 3.733 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933287 1033110942 /nfs/dbraw/zinc/11/09/42/1033110942.db2.gz PFGJWWXFWULXHL-RNRVQEDPSA-N 1 2 348.393 3.613 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933287 1033110946 /nfs/dbraw/zinc/11/09/46/1033110946.db2.gz PFGJWWXFWULXHL-RNRVQEDPSA-N 1 2 348.393 3.613 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729498555 1023182219 /nfs/dbraw/zinc/18/22/19/1023182219.db2.gz QXWHBJGVHMRNMU-FQEVSTJZSA-N 1 2 346.434 3.667 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1F ZINC000610682006 1023199869 /nfs/dbraw/zinc/19/98/69/1023199869.db2.gz QWKLQERVVWSTQB-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1F ZINC000610682006 1023199877 /nfs/dbraw/zinc/19/98/77/1023199877.db2.gz QWKLQERVVWSTQB-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](CC)Cc2c[nH]c3ccccc23)n1 ZINC000190505932 1023209973 /nfs/dbraw/zinc/20/99/73/1023209973.db2.gz HKMFWYNMXSQUSJ-CYBMUJFWSA-N 1 2 328.416 3.671 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](CC)Cc2c[nH]c3ccccc23)n1 ZINC000190505932 1023209981 /nfs/dbraw/zinc/20/99/81/1023209981.db2.gz HKMFWYNMXSQUSJ-CYBMUJFWSA-N 1 2 328.416 3.671 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(SCCOC)cc2)o1 ZINC000341742184 1023221053 /nfs/dbraw/zinc/22/10/53/1023221053.db2.gz HPNGZRJPMNDNPL-OLZOCXBDSA-N 1 2 335.473 3.782 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1OC(F)F ZINC000341741349 1023228582 /nfs/dbraw/zinc/22/85/82/1023228582.db2.gz GADREPCKUSRLPN-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1OC(F)F ZINC000341741349 1023228593 /nfs/dbraw/zinc/22/85/93/1023228593.db2.gz GADREPCKUSRLPN-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000431082903 1023237599 /nfs/dbraw/zinc/23/75/99/1023237599.db2.gz WULGAQGWLWGICR-UXHICEINSA-N 1 2 341.426 3.693 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000469430361 1023281718 /nfs/dbraw/zinc/28/17/18/1023281718.db2.gz PWWAJADFLXUQHW-CABCVRRESA-N 1 2 335.517 3.715 20 0 EHADLO Cc1csc2nc(C)nc(NC3CCN(c4cccc[nH+]4)CC3)c12 ZINC000133157769 1023292896 /nfs/dbraw/zinc/29/28/96/1023292896.db2.gz BXFKBWIHAUZGIW-UHFFFAOYSA-N 1 2 339.468 3.784 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000178399335 1023328235 /nfs/dbraw/zinc/32/82/35/1023328235.db2.gz LNPIAEQITLGAES-MOPGFXCFSA-N 1 2 329.440 3.557 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000178399335 1023328240 /nfs/dbraw/zinc/32/82/40/1023328240.db2.gz LNPIAEQITLGAES-MOPGFXCFSA-N 1 2 329.440 3.557 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000247508966 1023396214 /nfs/dbraw/zinc/39/62/14/1023396214.db2.gz HRXRTMDTXVLDCX-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1 ZINC000341835205 1023423144 /nfs/dbraw/zinc/42/31/44/1023423144.db2.gz NDLNNCALZKHKQL-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1 ZINC000341835205 1023423147 /nfs/dbraw/zinc/42/31/47/1023423147.db2.gz NDLNNCALZKHKQL-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OC ZINC000535747842 1023604548 /nfs/dbraw/zinc/60/45/48/1023604548.db2.gz GQCLJOZUNIWCPI-UHFFFAOYSA-N 1 2 328.412 3.560 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143417825 1023685808 /nfs/dbraw/zinc/68/58/08/1023685808.db2.gz LICHPBOFQKRYEH-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143417825 1023685811 /nfs/dbraw/zinc/68/58/11/1023685811.db2.gz LICHPBOFQKRYEH-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO Cn1c(NCc2cc(F)cc3cccnc32)[nH+]c2cccc(Cl)c21 ZINC000341956558 1023720547 /nfs/dbraw/zinc/72/05/47/1023720547.db2.gz YFNHOYWBEJDLJX-UHFFFAOYSA-N 1 2 340.789 3.948 20 0 EHADLO C[C@H](CC(F)(F)F)Nc1cc(N[C@H](C)CC(F)(F)F)[nH+]cn1 ZINC000341995440 1023748794 /nfs/dbraw/zinc/74/87/94/1023748794.db2.gz KBSRTCZSDYNLMK-HTQZYQBOSA-N 1 2 330.276 3.982 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000535824407 1023797309 /nfs/dbraw/zinc/79/73/09/1023797309.db2.gz DKRXKNNPXQCWTK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000535824407 1023797317 /nfs/dbraw/zinc/79/73/17/1023797317.db2.gz DKRXKNNPXQCWTK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cc(Cl)ccc1O ZINC000342051025 1023804926 /nfs/dbraw/zinc/80/49/26/1023804926.db2.gz XFJDRIPJWHXVGR-AWEZNQCLSA-N 1 2 341.798 3.929 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000342055177 1023807109 /nfs/dbraw/zinc/80/71/09/1023807109.db2.gz DPVIRWDZJMEABI-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)cccc1F ZINC000277133460 1023811431 /nfs/dbraw/zinc/81/14/31/1023811431.db2.gz UNFNSCLLWFXOCK-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000342074924 1023832718 /nfs/dbraw/zinc/83/27/18/1023832718.db2.gz WMQDGBNZXRMHCM-IBGZPJMESA-N 1 2 346.434 3.518 20 0 EHADLO CN(C)c1[nH+]cc(CN2CC[C@@H](O)c3ccccc32)c2ccccc21 ZINC000934070193 1023855402 /nfs/dbraw/zinc/85/54/02/1023855402.db2.gz GBTDPNILBJZANW-HXUWFJFHSA-N 1 2 333.435 3.745 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(F)CC1)c1cc2ccccc2o1 ZINC000684623805 1023898276 /nfs/dbraw/zinc/89/82/76/1023898276.db2.gz ICEDAUAKKFEVKL-STQMWFEESA-N 1 2 336.382 3.730 20 0 EHADLO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000081958018 1023975418 /nfs/dbraw/zinc/97/54/18/1023975418.db2.gz RGDKNAONVPXWOI-NSHDSACASA-N 1 2 345.270 3.549 20 0 EHADLO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000081958018 1023975433 /nfs/dbraw/zinc/97/54/33/1023975433.db2.gz RGDKNAONVPXWOI-NSHDSACASA-N 1 2 345.270 3.549 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+][C@@H](C)c2c(F)cccc2Cl)s1 ZINC000602807310 1033179935 /nfs/dbraw/zinc/17/99/35/1033179935.db2.gz XMBIWICWIGWIPM-VIFPVBQESA-N 1 2 342.823 3.963 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000602802425 1033175249 /nfs/dbraw/zinc/17/52/49/1033175249.db2.gz RFLQQMRZEHZPDT-ZBEGNZNMSA-N 1 2 332.375 3.711 20 0 EHADLO CCc1oc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1C ZINC000513996996 1024025754 /nfs/dbraw/zinc/02/57/54/1024025754.db2.gz NUEBCGKCGLKUSW-HNNXBMFYSA-N 1 2 332.831 3.591 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346029187 1024028176 /nfs/dbraw/zinc/02/81/76/1024028176.db2.gz FPIVGASUHCBQCK-OAHLLOKOSA-N 1 2 342.395 3.729 20 0 EHADLO C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)CC(C)(C)C ZINC000443505563 1024058866 /nfs/dbraw/zinc/05/88/66/1024058866.db2.gz AAJJHNVNOZAKEJ-HOTGVXAUSA-N 1 2 334.508 3.560 20 0 EHADLO C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)CC(C)(C)C ZINC000443505563 1024058880 /nfs/dbraw/zinc/05/88/80/1024058880.db2.gz AAJJHNVNOZAKEJ-HOTGVXAUSA-N 1 2 334.508 3.560 20 0 EHADLO Cc1cc(N2CCCC[C@H]2c2nnc3n2CCCC3)nc(C(C)C)[nH+]1 ZINC000133982179 1024059644 /nfs/dbraw/zinc/05/96/44/1024059644.db2.gz XLISERDJMSAHRT-HNNXBMFYSA-N 1 2 340.475 3.568 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434511498 1024090302 /nfs/dbraw/zinc/09/03/02/1024090302.db2.gz QCJGSUKOJMBQQJ-CQSZACIVSA-N 1 2 329.469 3.544 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434511498 1024090317 /nfs/dbraw/zinc/09/03/17/1024090317.db2.gz QCJGSUKOJMBQQJ-CQSZACIVSA-N 1 2 329.469 3.544 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cocn2)c1)c1ccc(Cl)cc1 ZINC000594061228 1033186204 /nfs/dbraw/zinc/18/62/04/1033186204.db2.gz KAYSNPRPLFEQRZ-UHFFFAOYSA-N 1 2 341.798 3.870 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](c3ccncn3)C2)nc(C(C)C)[nH+]1 ZINC000367129501 1024123249 /nfs/dbraw/zinc/12/32/49/1024123249.db2.gz SUVRTVIFYZVRNY-HNNXBMFYSA-N 1 2 325.460 3.897 20 0 EHADLO C[C@@H](N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1(C)CC1 ZINC000443570108 1024155330 /nfs/dbraw/zinc/15/53/30/1024155330.db2.gz ZKEYVEVNXBPOTC-CQSZACIVSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@@H](N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1(C)CC1 ZINC000443570108 1024155335 /nfs/dbraw/zinc/15/53/35/1024155335.db2.gz ZKEYVEVNXBPOTC-CQSZACIVSA-N 1 2 349.906 3.528 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000522669413 1024175016 /nfs/dbraw/zinc/17/50/16/1024175016.db2.gz VVLPBWSCEZMHOQ-GOSISDBHSA-N 1 2 346.515 3.946 20 0 EHADLO C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1nnc2n1CCCCC2 ZINC000648414981 1024187880 /nfs/dbraw/zinc/18/78/80/1024187880.db2.gz GYKOWLJSQLJSLV-NSHDSACASA-N 1 2 345.834 3.650 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)co2)cc1 ZINC000761045110 1033193014 /nfs/dbraw/zinc/19/30/14/1033193014.db2.gz FMZRXZYPAZDZOH-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC[C@H](C(F)(F)F)C3)co2)cc1 ZINC000761045110 1033193031 /nfs/dbraw/zinc/19/30/31/1033193031.db2.gz FMZRXZYPAZDZOH-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346033971 1024202716 /nfs/dbraw/zinc/20/27/16/1024202716.db2.gz RFQDLCHSPMIOTP-KGLIPLIRSA-N 1 2 330.378 3.781 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346033971 1024202724 /nfs/dbraw/zinc/20/27/24/1024202724.db2.gz RFQDLCHSPMIOTP-KGLIPLIRSA-N 1 2 330.378 3.781 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1C[C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179557 1024205490 /nfs/dbraw/zinc/20/54/90/1024205490.db2.gz JJMWNTGNCVHWRW-KGLIPLIRSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179557 1024205504 /nfs/dbraw/zinc/20/55/04/1024205504.db2.gz JJMWNTGNCVHWRW-KGLIPLIRSA-N 1 2 343.439 3.847 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000664432022 1024212006 /nfs/dbraw/zinc/21/20/06/1024212006.db2.gz ZUHYYKIATGKJDY-HNNXBMFYSA-N 1 2 336.505 3.685 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000514198560 1024212790 /nfs/dbraw/zinc/21/27/90/1024212790.db2.gz DMQBYLDZZYTSDI-QGZVFWFLSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329890072 1024236442 /nfs/dbraw/zinc/23/64/42/1024236442.db2.gz FNXZTOZIRKYUBR-XHBSWPGZSA-N 1 2 347.846 3.950 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329890072 1024236456 /nfs/dbraw/zinc/23/64/56/1024236456.db2.gz FNXZTOZIRKYUBR-XHBSWPGZSA-N 1 2 347.846 3.950 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCS[C@@H](C)CC3)n2)c1 ZINC000192184852 1024241493 /nfs/dbraw/zinc/24/14/93/1024241493.db2.gz XBSAXUPNOUKBHZ-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCS[C@@H](C)CC3)n2)c1 ZINC000192184852 1024241510 /nfs/dbraw/zinc/24/15/10/1024241510.db2.gz XBSAXUPNOUKBHZ-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342146926 1024241580 /nfs/dbraw/zinc/24/15/80/1024241580.db2.gz CTGGXDNZWORKOA-SFHVURJKSA-N 1 2 342.414 3.647 20 0 EHADLO FC(F)(F)c1csc(CN2CCC(Oc3cc[nH+]cc3)CC2)n1 ZINC001141757151 1024246662 /nfs/dbraw/zinc/24/66/62/1024246662.db2.gz GGMBNMBXMOHSLI-UHFFFAOYSA-N 1 2 343.374 3.600 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434664708 1024278711 /nfs/dbraw/zinc/27/87/11/1024278711.db2.gz WIIRKIROMNSWTN-KRWDZBQOSA-N 1 2 349.446 3.841 20 0 EHADLO CC[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CCCC1 ZINC000459118873 1024291110 /nfs/dbraw/zinc/29/11/10/1024291110.db2.gz XTMLXNSGILSTIM-INIZCTEOSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H]1CCC(C)(C)O1 ZINC000330057383 1024305462 /nfs/dbraw/zinc/30/54/62/1024305462.db2.gz XJSOMLINSHZNAR-MRXNPFEDSA-N 1 2 347.459 3.856 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CCC[C@]1(C)O ZINC001141769676 1024315212 /nfs/dbraw/zinc/31/52/12/1024315212.db2.gz XRXNWXNVJTYTKV-BMIGLBTASA-N 1 2 348.231 3.710 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CCC[C@]1(C)O ZINC001141769676 1024315228 /nfs/dbraw/zinc/31/52/28/1024315228.db2.gz XRXNWXNVJTYTKV-BMIGLBTASA-N 1 2 348.231 3.710 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000342179897 1024322730 /nfs/dbraw/zinc/32/27/30/1024322730.db2.gz YAPGFANABPWAEC-WMLDXEAASA-N 1 2 327.428 3.689 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000342179897 1024322746 /nfs/dbraw/zinc/32/27/46/1024322746.db2.gz YAPGFANABPWAEC-WMLDXEAASA-N 1 2 327.428 3.689 20 0 EHADLO FC(F)(F)c1csc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895349603 1024359835 /nfs/dbraw/zinc/35/98/35/1024359835.db2.gz MSSWAJDGAKBDDP-UHFFFAOYSA-N 1 2 328.363 3.638 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505505945 1024387650 /nfs/dbraw/zinc/38/76/50/1024387650.db2.gz KZEXHEHUOKJKPV-WBVHZDCISA-N 1 2 335.517 3.544 20 0 EHADLO CCc1occc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000280907511 1024421772 /nfs/dbraw/zinc/42/17/72/1024421772.db2.gz WLKNMVUSPSUTNI-UHFFFAOYSA-N 1 2 333.457 3.783 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)n1 ZINC000602856777 1033210959 /nfs/dbraw/zinc/21/09/59/1033210959.db2.gz RNKGGMBHUGWSRT-ZFWWWQNUSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3cccnc3)C2)n1 ZINC000602856777 1033210976 /nfs/dbraw/zinc/21/09/76/1033210976.db2.gz RNKGGMBHUGWSRT-ZFWWWQNUSA-N 1 2 332.473 3.658 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)o1 ZINC000346131394 1024434985 /nfs/dbraw/zinc/43/49/85/1024434985.db2.gz JSBMPLXKRNLLAQ-UHFFFAOYSA-N 1 2 348.244 3.939 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2cnc3c(C)cc(Br)cn23)o1 ZINC000346131394 1024434987 /nfs/dbraw/zinc/43/49/87/1024434987.db2.gz JSBMPLXKRNLLAQ-UHFFFAOYSA-N 1 2 348.244 3.939 20 0 EHADLO CCc1cnccc1[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228993 1024465658 /nfs/dbraw/zinc/46/56/58/1024465658.db2.gz KTBZATWIPIYSDT-HNAYVOBHSA-N 1 2 348.450 3.767 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000342223074 1024466271 /nfs/dbraw/zinc/46/62/71/1024466271.db2.gz BRVBLHUGYQMZGM-CQSZACIVSA-N 1 2 336.391 3.979 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555648 1024472905 /nfs/dbraw/zinc/47/29/05/1024472905.db2.gz PSCXBNRRPLJRFL-HIFRSBDPSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555648 1024472908 /nfs/dbraw/zinc/47/29/08/1024472908.db2.gz PSCXBNRRPLJRFL-HIFRSBDPSA-N 1 2 344.484 3.719 20 0 EHADLO COc1ccccc1CN(C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000459135222 1024490123 /nfs/dbraw/zinc/49/01/23/1024490123.db2.gz YLEKJETWNRMGNI-UHFFFAOYSA-N 1 2 339.439 3.581 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000151738594 1024506878 /nfs/dbraw/zinc/50/68/78/1024506878.db2.gz OYBRQLGTQYRVQU-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425241894 1024506933 /nfs/dbraw/zinc/50/69/33/1024506933.db2.gz NYWAOEUBRPWKLQ-DLBZAZTESA-N 1 2 325.456 3.826 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000425251224 1024518478 /nfs/dbraw/zinc/51/84/78/1024518478.db2.gz FAHPFAABZVZJNA-LJQANCHMSA-N 1 2 345.446 3.823 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1OC ZINC000346197516 1024520582 /nfs/dbraw/zinc/52/05/82/1024520582.db2.gz BAGUXQOLNFEPPR-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1OC ZINC000346197516 1024520588 /nfs/dbraw/zinc/52/05/88/1024520588.db2.gz BAGUXQOLNFEPPR-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425259450 1024536759 /nfs/dbraw/zinc/53/67/59/1024536759.db2.gz LXVZYESWIINRFD-KSSFIOAISA-N 1 2 349.438 3.738 20 0 EHADLO CC1(C)C[N@@H+]([C@H](CNc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000505586402 1024550009 /nfs/dbraw/zinc/55/00/09/1024550009.db2.gz SRTLOGUOHPZHFV-QGZVFWFLSA-N 1 2 345.874 3.999 20 0 EHADLO CC1(C)C[N@H+]([C@H](CNc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000505586402 1024550014 /nfs/dbraw/zinc/55/00/14/1024550014.db2.gz SRTLOGUOHPZHFV-QGZVFWFLSA-N 1 2 345.874 3.999 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143428448 1024564943 /nfs/dbraw/zinc/56/49/43/1024564943.db2.gz JGUZCAGCDAHNOY-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143428448 1024564953 /nfs/dbraw/zinc/56/49/53/1024564953.db2.gz JGUZCAGCDAHNOY-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c[nH+]1 ZINC000895519369 1024583601 /nfs/dbraw/zinc/58/36/01/1024583601.db2.gz ZJCJGNUQMPKTQL-UHFFFAOYSA-N 1 2 334.423 3.551 20 0 EHADLO CC(C)(C)c1nc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000114466492 1024587947 /nfs/dbraw/zinc/58/79/47/1024587947.db2.gz UBVWDPWQAHAKNK-KRWDZBQOSA-N 1 2 330.497 3.922 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000114466492 1024587953 /nfs/dbraw/zinc/58/79/53/1024587953.db2.gz UBVWDPWQAHAKNK-KRWDZBQOSA-N 1 2 330.497 3.922 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435044155 1024591547 /nfs/dbraw/zinc/59/15/47/1024591547.db2.gz SZRSSDQUDHXBTL-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435044155 1024591558 /nfs/dbraw/zinc/59/15/58/1024591558.db2.gz SZRSSDQUDHXBTL-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO CC(C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCC(O)CC1 ZINC000346283700 1024601513 /nfs/dbraw/zinc/60/15/13/1024601513.db2.gz NRUQEWALGKCGIV-UHFFFAOYSA-N 1 2 327.428 3.593 20 0 EHADLO COC(=O)c1cc(Br)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204977393 1024621772 /nfs/dbraw/zinc/62/17/72/1024621772.db2.gz GHLOMSHJGJOMRS-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO O=C([C@@H]1CC2CCC1CC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346302781 1024628209 /nfs/dbraw/zinc/62/82/09/1024628209.db2.gz FPQDQWAUDAPPPO-CTWPCTMYSA-N 1 2 329.488 3.728 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000346315293 1024639959 /nfs/dbraw/zinc/63/99/59/1024639959.db2.gz OYIUVJLRSGJCSN-HZPDHXFCSA-N 1 2 345.487 3.780 20 0 EHADLO Fc1ccc(-n2nccc2C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000474261307 1024657696 /nfs/dbraw/zinc/65/76/96/1024657696.db2.gz ZOBFTBAKFHMBDX-UHFFFAOYSA-N 1 2 329.419 3.547 20 0 EHADLO Fc1ccc(-n2nccc2C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000474261307 1024657701 /nfs/dbraw/zinc/65/77/01/1024657701.db2.gz ZOBFTBAKFHMBDX-UHFFFAOYSA-N 1 2 329.419 3.547 20 0 EHADLO Cc1noc(C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)n1 ZINC000281171598 1024700765 /nfs/dbraw/zinc/70/07/65/1024700765.db2.gz AEBOWDMPRBNCOF-UHFFFAOYSA-N 1 2 343.324 3.858 20 0 EHADLO Clc1sccc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000342286313 1024716150 /nfs/dbraw/zinc/71/61/50/1024716150.db2.gz SIAKWZPGERHGGV-LBPRGKRZSA-N 1 2 338.860 3.502 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(C1CCC1)C1CCC1 ZINC000505633811 1024720859 /nfs/dbraw/zinc/72/08/59/1024720859.db2.gz MNSOMIHURXAVGK-UHFFFAOYSA-N 1 2 337.467 3.764 20 0 EHADLO Cn1c[nH+]cc1CN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000281189082 1024731279 /nfs/dbraw/zinc/73/12/79/1024731279.db2.gz RFWRXDWYWVOQFA-HNNXBMFYSA-N 1 2 338.224 3.659 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000114674688 1024731768 /nfs/dbraw/zinc/73/17/68/1024731768.db2.gz IDRNLZOMCGZHNH-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CC(C)[C@H]1N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425313355 1024732345 /nfs/dbraw/zinc/73/23/45/1024732345.db2.gz LMPOCWIECWPRKD-FUHWJXTLSA-N 1 2 325.456 3.825 20 0 EHADLO CC1CCN(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346480944 1024766395 /nfs/dbraw/zinc/76/63/95/1024766395.db2.gz GZRPOVMPNDOBMP-HXUWFJFHSA-N 1 2 327.447 3.632 20 0 EHADLO C[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)(F)F ZINC000425327767 1024773278 /nfs/dbraw/zinc/77/32/78/1024773278.db2.gz NLRNWLVXXRNCIX-TZMCWYRMSA-N 1 2 339.361 3.636 20 0 EHADLO CC(C)[C@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326551 1024783678 /nfs/dbraw/zinc/78/36/78/1024783678.db2.gz JANFSJBDWZUKBT-QZTJIDSGSA-N 1 2 345.874 3.857 20 0 EHADLO CC(C)n1cncc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000425331947 1024791982 /nfs/dbraw/zinc/79/19/82/1024791982.db2.gz ZNAUEBRBXLBNBP-UHFFFAOYSA-N 1 2 346.450 3.842 20 0 EHADLO CC(C)n1cncc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000425331947 1024791985 /nfs/dbraw/zinc/79/19/85/1024791985.db2.gz ZNAUEBRBXLBNBP-UHFFFAOYSA-N 1 2 346.450 3.842 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000514860844 1024816342 /nfs/dbraw/zinc/81/63/42/1024816342.db2.gz KJTUWFGMLQALNT-FZMZJTMJSA-N 1 2 336.798 3.791 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@@H+]2CCOC3(CCCCC3)C2)s1 ZINC000892117458 1024825198 /nfs/dbraw/zinc/82/51/98/1024825198.db2.gz LJVQYORQHWRLDW-UHFFFAOYSA-N 1 2 334.407 3.783 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@H+]2CCOC3(CCCCC3)C2)s1 ZINC000892117458 1024825224 /nfs/dbraw/zinc/82/52/24/1024825224.db2.gz LJVQYORQHWRLDW-UHFFFAOYSA-N 1 2 334.407 3.783 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000508026978 1024855731 /nfs/dbraw/zinc/85/57/31/1024855731.db2.gz UJKLPXYTUHVKSH-OAHLLOKOSA-N 1 2 339.483 3.998 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000508026978 1024855747 /nfs/dbraw/zinc/85/57/47/1024855747.db2.gz UJKLPXYTUHVKSH-OAHLLOKOSA-N 1 2 339.483 3.998 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000563210843 1024860696 /nfs/dbraw/zinc/86/06/96/1024860696.db2.gz SLIPAFQSJLBJBL-UKRRQHHQSA-N 1 2 340.452 3.808 20 0 EHADLO COc1cc(C[N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc(OC)c1 ZINC000508054865 1024862991 /nfs/dbraw/zinc/86/29/91/1024862991.db2.gz QYPVNHVSQVUTSR-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc(OC)c1 ZINC000508054865 1024863008 /nfs/dbraw/zinc/86/30/08/1024863008.db2.gz QYPVNHVSQVUTSR-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)cc(OC)c1 ZINC000508054865 1024863027 /nfs/dbraw/zinc/86/30/27/1024863027.db2.gz QYPVNHVSQVUTSR-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)cc(OC)c1 ZINC000508054865 1024863048 /nfs/dbraw/zinc/86/30/48/1024863048.db2.gz QYPVNHVSQVUTSR-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425364998 1024868731 /nfs/dbraw/zinc/86/87/31/1024868731.db2.gz IELIHHXFCUDHLZ-QZTJIDSGSA-N 1 2 333.863 3.500 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425364998 1024868745 /nfs/dbraw/zinc/86/87/45/1024868745.db2.gz IELIHHXFCUDHLZ-QZTJIDSGSA-N 1 2 333.863 3.500 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1C ZINC000281305938 1024868936 /nfs/dbraw/zinc/86/89/36/1024868936.db2.gz ZOWPCGPYEKSRJA-DLBZAZTESA-N 1 2 342.414 3.608 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1OCc1ccccc1 ZINC000508057634 1024876148 /nfs/dbraw/zinc/87/61/48/1024876148.db2.gz NGCPDEASQPJMCA-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1OCc1ccccc1 ZINC000508057634 1024876164 /nfs/dbraw/zinc/87/61/64/1024876164.db2.gz NGCPDEASQPJMCA-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO Cn1cc(C[N@H+](Cc2cccs2)Cc2ccncc2)c(C2CC2)n1 ZINC000897929481 1033242668 /nfs/dbraw/zinc/24/26/68/1033242668.db2.gz UDSQXPDCZVYWBO-UHFFFAOYSA-N 1 2 338.480 3.956 20 0 EHADLO Cn1cc(C[N@@H+](Cc2cccs2)Cc2ccncc2)c(C2CC2)n1 ZINC000897929481 1033242682 /nfs/dbraw/zinc/24/26/82/1033242682.db2.gz UDSQXPDCZVYWBO-UHFFFAOYSA-N 1 2 338.480 3.956 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895837726 1024881055 /nfs/dbraw/zinc/88/10/55/1024881055.db2.gz XNQPREICITYJEV-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895837726 1024881061 /nfs/dbraw/zinc/88/10/61/1024881061.db2.gz XNQPREICITYJEV-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCc2ccc(Br)cc2C1 ZINC000425375797 1024904652 /nfs/dbraw/zinc/90/46/52/1024904652.db2.gz DJWRWLSWROSDAL-UHFFFAOYSA-N 1 2 334.261 3.785 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)o1 ZINC000346593040 1024906740 /nfs/dbraw/zinc/90/67/40/1024906740.db2.gz MPOQQVFQDQJSOF-GDBMZVCRSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)o1 ZINC000346593040 1024906750 /nfs/dbraw/zinc/90/67/50/1024906750.db2.gz MPOQQVFQDQJSOF-GDBMZVCRSA-N 1 2 326.440 3.776 20 0 EHADLO CCCOc1ccc([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1OC ZINC000514942422 1024918511 /nfs/dbraw/zinc/91/85/11/1024918511.db2.gz ZDBHSTARSOIKAW-CABCVRRESA-N 1 2 345.443 3.509 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000053125207 1024933960 /nfs/dbraw/zinc/93/39/60/1024933960.db2.gz ZBSZMEZUUCTAPN-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000053125207 1024933976 /nfs/dbraw/zinc/93/39/76/1024933976.db2.gz ZBSZMEZUUCTAPN-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153824 1024938365 /nfs/dbraw/zinc/93/83/65/1024938365.db2.gz FLAPVCFVVSSQPG-KGLIPLIRSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000053153824 1024938379 /nfs/dbraw/zinc/93/83/79/1024938379.db2.gz FLAPVCFVVSSQPG-KGLIPLIRSA-N 1 2 345.512 3.712 20 0 EHADLO O=C(Nc1ccc(-c2ccco2)cc1F)c1cc(-n2cc[nH+]c2)ccn1 ZINC000428075370 1024973705 /nfs/dbraw/zinc/97/37/05/1024973705.db2.gz QFCXFYDZPJTACI-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)c1C ZINC000515063129 1024993069 /nfs/dbraw/zinc/99/30/69/1024993069.db2.gz IICOXXGVKQOHQT-FXAWDEMLSA-N 1 2 337.467 3.816 20 0 EHADLO CCCCn1nccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342348563 1025012851 /nfs/dbraw/zinc/01/28/51/1025012851.db2.gz YCAWOJKPHIQKBT-MRXNPFEDSA-N 1 2 337.427 3.567 20 0 EHADLO FC(F)n1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000346676178 1025012691 /nfs/dbraw/zinc/01/26/91/1025012691.db2.gz YIARBZGOMWAUQJ-UHFFFAOYSA-N 1 2 341.365 3.806 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000515090365 1025028419 /nfs/dbraw/zinc/02/84/19/1025028419.db2.gz VSOITQRVOMQNAD-UHFFFAOYSA-N 1 2 347.462 3.976 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000515090365 1025028424 /nfs/dbraw/zinc/02/84/24/1025028424.db2.gz VSOITQRVOMQNAD-UHFFFAOYSA-N 1 2 347.462 3.976 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417405 1025033659 /nfs/dbraw/zinc/03/36/59/1025033659.db2.gz ONZUQXPBBQNHEL-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417405 1025033674 /nfs/dbraw/zinc/03/36/74/1025033674.db2.gz ONZUQXPBBQNHEL-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO Fc1ccccc1NCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000428195548 1025036256 /nfs/dbraw/zinc/03/62/56/1025036256.db2.gz OLAAWDNGCOAYHM-UHFFFAOYSA-N 1 2 329.423 3.520 20 0 EHADLO Fc1ccccc1NCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000428195548 1025036265 /nfs/dbraw/zinc/03/62/65/1025036265.db2.gz OLAAWDNGCOAYHM-UHFFFAOYSA-N 1 2 329.423 3.520 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c(C)[nH+]1 ZINC000097213936 1025039381 /nfs/dbraw/zinc/03/93/81/1025039381.db2.gz BNXUZYAIXMGBMP-MDZDMXLPSA-N 1 2 332.407 3.844 20 0 EHADLO Cc1cccn2c(CN3CC[C@](F)(c4ccccc4F)C3)c[nH+]c12 ZINC000515140177 1025042401 /nfs/dbraw/zinc/04/24/01/1025042401.db2.gz HJHGQERKLPSAPJ-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO C[N@H+](CCN1CCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000428228417 1025047824 /nfs/dbraw/zinc/04/78/24/1025047824.db2.gz VBINJUNBSJJWNN-UHFFFAOYSA-N 1 2 341.402 3.656 20 0 EHADLO C[N@@H+](CCN1CCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000428228417 1025047833 /nfs/dbraw/zinc/04/78/33/1025047833.db2.gz VBINJUNBSJJWNN-UHFFFAOYSA-N 1 2 341.402 3.656 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000428223214 1025057661 /nfs/dbraw/zinc/05/76/61/1025057661.db2.gz JMCXGHANTXEHRU-QGZVFWFLSA-N 1 2 341.455 3.563 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000428223214 1025057669 /nfs/dbraw/zinc/05/76/69/1025057669.db2.gz JMCXGHANTXEHRU-QGZVFWFLSA-N 1 2 341.455 3.563 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000281504933 1025094393 /nfs/dbraw/zinc/09/43/93/1025094393.db2.gz GZNURNHYAFVKAF-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000281504933 1025094399 /nfs/dbraw/zinc/09/43/99/1025094399.db2.gz GZNURNHYAFVKAF-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000515231712 1025097869 /nfs/dbraw/zinc/09/78/69/1025097869.db2.gz GSIMIRKBFNROCR-GUYCJALGSA-N 1 2 340.423 3.749 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000515231712 1025097878 /nfs/dbraw/zinc/09/78/78/1025097878.db2.gz GSIMIRKBFNROCR-GUYCJALGSA-N 1 2 340.423 3.749 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000487413240 1025114207 /nfs/dbraw/zinc/11/42/07/1025114207.db2.gz LCYADZVEAYYYKQ-UHFFFAOYSA-N 1 2 345.349 3.655 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000487413240 1025114215 /nfs/dbraw/zinc/11/42/15/1025114215.db2.gz LCYADZVEAYYYKQ-UHFFFAOYSA-N 1 2 345.349 3.655 20 0 EHADLO COc1c(Cl)cc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1Cl ZINC000896064926 1025118855 /nfs/dbraw/zinc/11/88/55/1025118855.db2.gz GNNWHIXKDYJCIM-UHFFFAOYSA-N 1 2 342.226 3.881 20 0 EHADLO CC[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C)cc1 ZINC000157779033 1025135664 /nfs/dbraw/zinc/13/56/64/1025135664.db2.gz WVKKQJJCZOEAFD-QGZVFWFLSA-N 1 2 325.456 3.939 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661170 1025139744 /nfs/dbraw/zinc/13/97/44/1025139744.db2.gz DOQVVCAMICXFTK-QFBILLFUSA-N 1 2 340.471 3.545 20 0 EHADLO COc1cnc([C@@H]2CCC[N@@H+]2C/C=C/c2ccc(Cl)cc2)[nH]c1=O ZINC000934269924 1025183617 /nfs/dbraw/zinc/18/36/17/1025183617.db2.gz COUGZHHLNXIFRQ-OMDKTOEGSA-N 1 2 345.830 3.695 20 0 EHADLO COc1cnc([C@@H]2CCC[N@H+]2C/C=C/c2ccc(Cl)cc2)[nH]c1=O ZINC000934269924 1025183621 /nfs/dbraw/zinc/18/36/21/1025183621.db2.gz COUGZHHLNXIFRQ-OMDKTOEGSA-N 1 2 345.830 3.695 20 0 EHADLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000602919704 1033265869 /nfs/dbraw/zinc/26/58/69/1033265869.db2.gz GEWVITGFVBOZKX-JTQLQIEISA-N 1 2 330.856 3.634 20 0 EHADLO CC(C)c1cc(NC[C@H]2CCC3(CCOCC3)O2)nc(C(C)C)[nH+]1 ZINC000896175294 1025206746 /nfs/dbraw/zinc/20/67/46/1025206746.db2.gz KWEFRZHUZLGALL-OAHLLOKOSA-N 1 2 333.476 3.864 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1nc2c(s1)CCC2 ZINC000515402084 1025214836 /nfs/dbraw/zinc/21/48/36/1025214836.db2.gz OIIPUNTVSQZXGY-CYBMUJFWSA-N 1 2 336.464 3.940 20 0 EHADLO Cc1ccccc1OCc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000346831813 1025221579 /nfs/dbraw/zinc/22/15/79/1025221579.db2.gz LZPVNJZXRPSQIR-UHFFFAOYSA-N 1 2 346.390 3.869 20 0 EHADLO CCCN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442240454 1025221796 /nfs/dbraw/zinc/22/17/96/1025221796.db2.gz GTHGTHFMZMYHHV-GOSISDBHSA-N 1 2 328.460 3.683 20 0 EHADLO O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000896189784 1025223678 /nfs/dbraw/zinc/22/36/78/1025223678.db2.gz PMQHLAJSQPKZHU-GHMZBOCLSA-N 1 2 345.271 3.806 20 0 EHADLO O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000896189784 1025223683 /nfs/dbraw/zinc/22/36/83/1025223683.db2.gz PMQHLAJSQPKZHU-GHMZBOCLSA-N 1 2 345.271 3.806 20 0 EHADLO FC(F)(F)c1nc(CN2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000896191619 1025225468 /nfs/dbraw/zinc/22/54/68/1025225468.db2.gz BVXLZJCKAMSHJY-UHFFFAOYSA-N 1 2 342.390 3.633 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(c3cccc(F)c3F)CC2)o1 ZINC000428245835 1025233832 /nfs/dbraw/zinc/23/38/32/1025233832.db2.gz XCOGOIQEKOXGKO-UHFFFAOYSA-N 1 2 335.398 3.536 20 0 EHADLO CCOc1c(C[NH2+]Cc2cnc(Cl)s2)c(C)nn1CC(C)C ZINC000895155580 1025246726 /nfs/dbraw/zinc/24/67/26/1025246726.db2.gz ICQQGVIJJZDWSE-UHFFFAOYSA-N 1 2 342.896 3.646 20 0 EHADLO CSC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000602923654 1033269189 /nfs/dbraw/zinc/26/91/89/1033269189.db2.gz UIVMQBHTQKZVSA-UHFFFAOYSA-N 1 2 340.290 3.653 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(NC3CCCC3)c2)c[nH+]1 ZINC000896272961 1025297920 /nfs/dbraw/zinc/29/79/20/1025297920.db2.gz GSVQWHOUGHRYAQ-UHFFFAOYSA-N 1 2 326.444 3.920 20 0 EHADLO CCC[C@H](CC1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499177251 1033272900 /nfs/dbraw/zinc/27/29/00/1033272900.db2.gz PCINBIXSTPCYBD-GOSISDBHSA-N 1 2 329.488 3.727 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000436080623 1025357477 /nfs/dbraw/zinc/35/74/77/1025357477.db2.gz FYTNRNGXOWEQRJ-UHFFFAOYSA-N 1 2 337.398 3.651 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346984668 1025385806 /nfs/dbraw/zinc/38/58/06/1025385806.db2.gz PAXNXTTUPGCEIS-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346984668 1025385815 /nfs/dbraw/zinc/38/58/15/1025385815.db2.gz PAXNXTTUPGCEIS-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1Cc2ccccc2C1 ZINC000436126161 1025398787 /nfs/dbraw/zinc/39/87/87/1025398787.db2.gz ISURQHDOGUMUBI-CYBMUJFWSA-N 1 2 346.833 3.842 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000436131212 1025402186 /nfs/dbraw/zinc/40/21/86/1025402186.db2.gz YGGRQNSWLGMRBM-SFHVURJKSA-N 1 2 338.386 3.785 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ncc(Br)cn1 ZINC000353898382 1025423226 /nfs/dbraw/zinc/42/32/26/1025423226.db2.gz KBYZAMRGPAULNF-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC(F)(F)C1 ZINC000436156913 1025423300 /nfs/dbraw/zinc/42/33/00/1025423300.db2.gz AALVTFDMHWOYHM-UHFFFAOYSA-N 1 2 331.366 3.870 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001141892766 1025437410 /nfs/dbraw/zinc/43/74/10/1025437410.db2.gz XXVNNVUOSIUUTQ-TVQRCGJNSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001141892766 1025437416 /nfs/dbraw/zinc/43/74/16/1025437416.db2.gz XXVNNVUOSIUUTQ-TVQRCGJNSA-N 1 2 348.643 3.852 20 0 EHADLO C[C@H](CC(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000515657363 1025439847 /nfs/dbraw/zinc/43/98/47/1025439847.db2.gz USQAASMSVMQQTD-DOMZBBRYSA-N 1 2 325.334 3.596 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000436188051 1025439896 /nfs/dbraw/zinc/43/98/96/1025439896.db2.gz IMZLYOPILQLVEU-BXUZGUMPSA-N 1 2 325.334 3.579 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCS1 ZINC000896454852 1025445163 /nfs/dbraw/zinc/44/51/63/1025445163.db2.gz ALMJPSYINNORPK-LLVKDONJSA-N 1 2 333.404 3.618 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCS1 ZINC000896454852 1025445170 /nfs/dbraw/zinc/44/51/70/1025445170.db2.gz ALMJPSYINNORPK-LLVKDONJSA-N 1 2 333.404 3.618 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000281762581 1025452107 /nfs/dbraw/zinc/45/21/07/1025452107.db2.gz WLKDTQVNHXZUEV-BONVTDFDSA-N 1 2 336.432 3.775 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000684776787 1025456702 /nfs/dbraw/zinc/45/67/02/1025456702.db2.gz UKFMEASRNAIJMX-LSDHHAIUSA-N 1 2 326.787 3.665 20 0 EHADLO C[N@H+](Cc1c(Cl)ccc(Br)c1F)[C@H]1CCCOC1 ZINC001141893904 1025465183 /nfs/dbraw/zinc/46/51/83/1025465183.db2.gz CPRQAKLUZGSUNL-VIFPVBQESA-N 1 2 336.632 3.852 20 0 EHADLO C[N@@H+](Cc1c(Cl)ccc(Br)c1F)[C@H]1CCCOC1 ZINC001141893904 1025465193 /nfs/dbraw/zinc/46/51/93/1025465193.db2.gz CPRQAKLUZGSUNL-VIFPVBQESA-N 1 2 336.632 3.852 20 0 EHADLO CC[C@]1(C)C[N@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882279 1025559119 /nfs/dbraw/zinc/55/91/19/1025559119.db2.gz CZKCIWHGXWMYHI-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882279 1025559133 /nfs/dbraw/zinc/55/91/33/1025559133.db2.gz CZKCIWHGXWMYHI-IIBYNOLFSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884916 1025565969 /nfs/dbraw/zinc/56/59/69/1025565969.db2.gz ZTYZAHDCVMWCPY-MGPUTAFESA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884916 1025565984 /nfs/dbraw/zinc/56/59/84/1025565984.db2.gz ZTYZAHDCVMWCPY-MGPUTAFESA-N 1 2 326.440 3.668 20 0 EHADLO COc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc(OC)c1 ZINC000281855077 1025593166 /nfs/dbraw/zinc/59/31/66/1025593166.db2.gz YQAJQEKIMJEAGF-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000515781221 1025594943 /nfs/dbraw/zinc/59/49/43/1025594943.db2.gz RVRIZINHYWWHGH-QGZVFWFLSA-N 1 2 328.431 3.583 20 0 EHADLO O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000347811428 1025643877 /nfs/dbraw/zinc/64/38/77/1025643877.db2.gz GTOQDBZRAAPWJV-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO CC[C@@H](Nc1ncc(C)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436402243 1025682318 /nfs/dbraw/zinc/68/23/18/1025682318.db2.gz UXFHYMUCSWZJJN-SJORKVTESA-N 1 2 331.485 3.543 20 0 EHADLO CC[C@@H](Nc1ncc(C)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436402243 1025682319 /nfs/dbraw/zinc/68/23/19/1025682319.db2.gz UXFHYMUCSWZJJN-SJORKVTESA-N 1 2 331.485 3.543 20 0 EHADLO Fc1ccc(C[N@H+](Cc2cnn(CC(F)(F)F)c2)C2CC2)c(F)c1 ZINC000349941628 1025689933 /nfs/dbraw/zinc/68/99/33/1025689933.db2.gz BKZUEGWWCNWFGD-UHFFFAOYSA-N 1 2 345.315 3.888 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2cnn(CC(F)(F)F)c2)C2CC2)c(F)c1 ZINC000349941628 1025689941 /nfs/dbraw/zinc/68/99/41/1025689941.db2.gz BKZUEGWWCNWFGD-UHFFFAOYSA-N 1 2 345.315 3.888 20 0 EHADLO CCCCNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521820070 1025710298 /nfs/dbraw/zinc/71/02/98/1025710298.db2.gz SRVVWSZMYPAQBE-UHFFFAOYSA-N 1 2 328.431 3.744 20 0 EHADLO CCCCNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521820070 1025710312 /nfs/dbraw/zinc/71/03/12/1025710312.db2.gz SRVVWSZMYPAQBE-UHFFFAOYSA-N 1 2 328.431 3.744 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COCc1ccco1 ZINC000521860647 1025734622 /nfs/dbraw/zinc/73/46/22/1025734622.db2.gz BFRISDAMZPYYNU-GFCCVEGCSA-N 1 2 344.238 3.596 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COCc1ccco1 ZINC000521860647 1025734638 /nfs/dbraw/zinc/73/46/38/1025734638.db2.gz BFRISDAMZPYYNU-GFCCVEGCSA-N 1 2 344.238 3.596 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCCC3)nc[nH+]1)CCCO2 ZINC000329325986 1025753424 /nfs/dbraw/zinc/75/34/24/1025753424.db2.gz TWJTVWQDGAJSEP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCCC3)[nH+]cn1)CCCO2 ZINC000329325986 1025753441 /nfs/dbraw/zinc/75/34/41/1025753441.db2.gz TWJTVWQDGAJSEP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nc1 ZINC000342475930 1025761956 /nfs/dbraw/zinc/76/19/56/1025761956.db2.gz CSYSQHGEJJTWJF-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nc1 ZINC000342475930 1025761976 /nfs/dbraw/zinc/76/19/76/1025761976.db2.gz CSYSQHGEJJTWJF-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000342482707 1025790978 /nfs/dbraw/zinc/79/09/78/1025790978.db2.gz RGBMNZPZZVLBDI-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO C[N@H+](Cc1nc(Cc2ccc(C(C)(C)C)cc2)no1)[C@H]1CCSC1 ZINC000443218871 1025822491 /nfs/dbraw/zinc/82/24/91/1025822491.db2.gz UOAAZTSQMUHGBI-INIZCTEOSA-N 1 2 345.512 3.895 20 0 EHADLO C[N@@H+](Cc1nc(Cc2ccc(C(C)(C)C)cc2)no1)[C@H]1CCSC1 ZINC000443218871 1025822504 /nfs/dbraw/zinc/82/25/04/1025822504.db2.gz UOAAZTSQMUHGBI-INIZCTEOSA-N 1 2 345.512 3.895 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCCn1cc[nH+]c1 ZINC000515984838 1025835588 /nfs/dbraw/zinc/83/55/88/1025835588.db2.gz KTOOEBSWRQHGSN-UHFFFAOYSA-N 1 2 331.803 3.801 20 0 EHADLO CCCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1CC ZINC000428272909 1025847400 /nfs/dbraw/zinc/84/74/00/1025847400.db2.gz AHHWLFRJLIZYLH-UHFFFAOYSA-N 1 2 337.427 3.684 20 0 EHADLO c1sc2ccccc2c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121813774 1025887700 /nfs/dbraw/zinc/88/77/00/1025887700.db2.gz KYWWSBSYJBXDPQ-UHFFFAOYSA-N 1 2 325.437 3.745 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000121819020 1025893994 /nfs/dbraw/zinc/89/39/94/1025893994.db2.gz FDBXMVFGVMPBPB-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000121819020 1025894010 /nfs/dbraw/zinc/89/40/10/1025894010.db2.gz FDBXMVFGVMPBPB-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO C[C@H](C(=O)N[C@@H](c1cccs1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000522877894 1025895233 /nfs/dbraw/zinc/89/52/33/1025895233.db2.gz CKYFZUPDQCXVQG-AUUYWEPGSA-N 1 2 340.492 3.762 20 0 EHADLO C[C@H](C(=O)N[C@@H](c1cccs1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000522877894 1025895260 /nfs/dbraw/zinc/89/52/60/1025895260.db2.gz CKYFZUPDQCXVQG-AUUYWEPGSA-N 1 2 340.492 3.762 20 0 EHADLO O[C@@]1(C(F)F)CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451430321 1025940078 /nfs/dbraw/zinc/94/00/78/1025940078.db2.gz MLPOTOWAGYPFFT-HNNXBMFYSA-N 1 2 344.814 3.665 20 0 EHADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451430321 1025940092 /nfs/dbraw/zinc/94/00/92/1025940092.db2.gz MLPOTOWAGYPFFT-HNNXBMFYSA-N 1 2 344.814 3.665 20 0 EHADLO COC(=O)c1conc1C(C)(C)[NH2+]CCSc1ccc(C)c(C)c1 ZINC000425592270 1025943160 /nfs/dbraw/zinc/94/31/60/1025943160.db2.gz URXAVGXNMRDPTO-UHFFFAOYSA-N 1 2 348.468 3.695 20 0 EHADLO COc1cccc(Nc2ccccc2C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000522938821 1025971768 /nfs/dbraw/zinc/97/17/68/1025971768.db2.gz WCXMXNPYYKKLSP-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(O)cc3F)cc2)c1C ZINC000436643438 1025990534 /nfs/dbraw/zinc/99/05/34/1025990534.db2.gz XMMKCHMUTXYOML-UHFFFAOYSA-N 1 2 325.343 3.586 20 0 EHADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(-c3cccs3)cc2)C2CC2)C1 ZINC000277564307 1026001659 /nfs/dbraw/zinc/00/16/59/1026001659.db2.gz AQRYIBXGHALNFM-KRWDZBQOSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(-c3cccs3)cc2)C2CC2)C1 ZINC000277564307 1026001676 /nfs/dbraw/zinc/00/16/76/1026001676.db2.gz AQRYIBXGHALNFM-KRWDZBQOSA-N 1 2 347.505 3.567 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3N3CCCCC3)[nH+]c12 ZINC000522965847 1026008008 /nfs/dbraw/zinc/00/80/08/1026008008.db2.gz DTUCJMRIJQIAQE-UHFFFAOYSA-N 1 2 348.450 3.814 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000665580136 1026017438 /nfs/dbraw/zinc/01/74/38/1026017438.db2.gz NLBTUQQAAKPLPG-KRWDZBQOSA-N 1 2 345.446 3.842 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152423027 1026051409 /nfs/dbraw/zinc/05/14/09/1026051409.db2.gz ANWQQKWTTVGDCH-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152423027 1026051425 /nfs/dbraw/zinc/05/14/25/1026051425.db2.gz ANWQQKWTTVGDCH-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2ccnc(Cc3ccccc3)n2)[nH+]c1C ZINC000895192605 1026085360 /nfs/dbraw/zinc/08/53/60/1026085360.db2.gz IVOVIWUJVSFPLT-QGZVFWFLSA-N 1 2 333.439 3.749 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000451544677 1026092218 /nfs/dbraw/zinc/09/22/18/1026092218.db2.gz QEVCVQPUCPPTTK-HOCLYGCPSA-N 1 2 338.879 3.642 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000451544677 1026092233 /nfs/dbraw/zinc/09/22/33/1026092233.db2.gz QEVCVQPUCPPTTK-HOCLYGCPSA-N 1 2 338.879 3.642 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000896940142 1026129707 /nfs/dbraw/zinc/12/97/07/1026129707.db2.gz VEJQPIXCNSMMGW-UHFFFAOYSA-N 1 2 329.492 3.591 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000896940142 1026129718 /nfs/dbraw/zinc/12/97/18/1026129718.db2.gz VEJQPIXCNSMMGW-UHFFFAOYSA-N 1 2 329.492 3.591 20 0 EHADLO Fc1cncc(Br)c1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946325 1026140361 /nfs/dbraw/zinc/14/03/61/1026140361.db2.gz QYNYRZAIHSTMGH-UHFFFAOYSA-N 1 2 331.204 3.697 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)C[C@@H](O)c1ccc(C)cc1 ZINC000304292776 1026146422 /nfs/dbraw/zinc/14/64/22/1026146422.db2.gz DEERFTUVCZHPRJ-MRXNPFEDSA-N 1 2 343.452 3.662 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)C[C@@H](O)c1ccc(C)cc1 ZINC000304292776 1026146430 /nfs/dbraw/zinc/14/64/30/1026146430.db2.gz DEERFTUVCZHPRJ-MRXNPFEDSA-N 1 2 343.452 3.662 20 0 EHADLO C[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H](CCO)c1ccccc1 ZINC000304289831 1026146821 /nfs/dbraw/zinc/14/68/21/1026146821.db2.gz BYHBLBGAKVIRDA-SFHVURJKSA-N 1 2 339.464 3.761 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H](CCO)c1ccccc1 ZINC000304289831 1026146832 /nfs/dbraw/zinc/14/68/32/1026146832.db2.gz BYHBLBGAKVIRDA-SFHVURJKSA-N 1 2 339.464 3.761 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1C ZINC000684865431 1026219046 /nfs/dbraw/zinc/21/90/46/1026219046.db2.gz ZVNWTPVNRJLHHX-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475138567 1026232393 /nfs/dbraw/zinc/23/23/93/1026232393.db2.gz LPEYRMCGCUSLNX-JKSUJKDBSA-N 1 2 328.460 3.738 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccccc2C)s1 ZINC000122121342 1026247910 /nfs/dbraw/zinc/24/79/10/1026247910.db2.gz KXYIBEAFMMZMLT-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccccc2C)s1 ZINC000122121342 1026247914 /nfs/dbraw/zinc/24/79/14/1026247914.db2.gz KXYIBEAFMMZMLT-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c(C)c1C ZINC000530724607 1026249894 /nfs/dbraw/zinc/24/98/94/1026249894.db2.gz YFQKNMODIUOXJF-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c(C)c1C ZINC000530724607 1026249905 /nfs/dbraw/zinc/24/99/05/1026249905.db2.gz YFQKNMODIUOXJF-INIZCTEOSA-N 1 2 329.469 3.844 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724195 1026251212 /nfs/dbraw/zinc/25/12/12/1026251212.db2.gz WUAKUGQOBJPRFC-QZTJIDSGSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724195 1026251221 /nfs/dbraw/zinc/25/12/21/1026251221.db2.gz WUAKUGQOBJPRFC-QZTJIDSGSA-N 1 2 338.455 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)c(C)n1C ZINC000530778493 1026286301 /nfs/dbraw/zinc/28/63/01/1026286301.db2.gz OQZYKIVMEGMZJH-UHFFFAOYSA-N 1 2 338.373 3.975 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)c(C)n1C ZINC000530778493 1026286312 /nfs/dbraw/zinc/28/63/12/1026286312.db2.gz OQZYKIVMEGMZJH-UHFFFAOYSA-N 1 2 338.373 3.975 20 0 EHADLO CCn1cc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)nn1 ZINC000897075767 1026292951 /nfs/dbraw/zinc/29/29/51/1026292951.db2.gz QCAQFXGSVBAGAK-QUCCMNQESA-N 1 2 334.423 3.653 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830141 1026313717 /nfs/dbraw/zinc/31/37/17/1026313717.db2.gz CSTXLPHCPHPOAR-VQIMIIECSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830141 1026313730 /nfs/dbraw/zinc/31/37/30/1026313730.db2.gz CSTXLPHCPHPOAR-VQIMIIECSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000444329835 1026357861 /nfs/dbraw/zinc/35/78/61/1026357861.db2.gz KZXUDJWBLPOBCU-MRXNPFEDSA-N 1 2 335.407 3.505 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000451899546 1026369105 /nfs/dbraw/zinc/36/91/05/1026369105.db2.gz XCFMESWAXJCRQI-LSDHHAIUSA-N 1 2 339.443 3.982 20 0 EHADLO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582488916 1026409360 /nfs/dbraw/zinc/40/93/60/1026409360.db2.gz XGNXIPRFRGAJLM-RYUDHWBXSA-N 1 2 340.254 3.888 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(F)(F)c1ccc(C)cc1 ZINC000277652095 1026442255 /nfs/dbraw/zinc/44/22/55/1026442255.db2.gz UNQFJZZFAZUYJG-UHFFFAOYSA-N 1 2 349.425 3.785 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652285 1026444903 /nfs/dbraw/zinc/44/49/03/1026444903.db2.gz CZGWXSGQMXFJDN-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652285 1026444910 /nfs/dbraw/zinc/44/49/10/1026444910.db2.gz CZGWXSGQMXFJDN-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452061240 1026471428 /nfs/dbraw/zinc/47/14/28/1026471428.db2.gz OWVMCQQDSGYPRK-CQSZACIVSA-N 1 2 337.514 3.717 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000897212901 1026500377 /nfs/dbraw/zinc/50/03/77/1026500377.db2.gz BAKIZNFWAFSPAF-HOTGVXAUSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000897212901 1026500383 /nfs/dbraw/zinc/50/03/83/1026500383.db2.gz BAKIZNFWAFSPAF-HOTGVXAUSA-N 1 2 336.838 3.531 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccoc1 ZINC000342646183 1026557599 /nfs/dbraw/zinc/55/75/99/1026557599.db2.gz TYEZXWJXMXYMMW-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccoc1 ZINC000342646183 1026557602 /nfs/dbraw/zinc/55/76/02/1026557602.db2.gz TYEZXWJXMXYMMW-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)CCC2 ZINC000563388611 1026557812 /nfs/dbraw/zinc/55/78/12/1026557812.db2.gz XPCJKQAAKLIIKI-KUHUBIRLSA-N 1 2 325.456 3.906 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)CCC2 ZINC000563388611 1026557818 /nfs/dbraw/zinc/55/78/18/1026557818.db2.gz XPCJKQAAKLIIKI-KUHUBIRLSA-N 1 2 325.456 3.906 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531111640 1026585472 /nfs/dbraw/zinc/58/54/72/1026585472.db2.gz RBZJMEOUMFMVNP-MRXNPFEDSA-N 1 2 347.418 3.619 20 0 EHADLO Cc1c(Cl)cncc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452232353 1026592095 /nfs/dbraw/zinc/59/20/95/1026592095.db2.gz ZJLQMTMVUNGMJD-HNNXBMFYSA-N 1 2 338.238 3.938 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2=CCCC2)C[C@@H](C)O1 ZINC000665625693 1026608214 /nfs/dbraw/zinc/60/82/14/1026608214.db2.gz JSWWBADFRDIQPW-HZPDHXFCSA-N 1 2 343.471 3.528 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cccc(C4CCC4)c3)[nH+]c12 ZINC000684919684 1026614359 /nfs/dbraw/zinc/61/43/59/1026614359.db2.gz YKLRCOMBVKHMLT-UHFFFAOYSA-N 1 2 333.435 3.883 20 0 EHADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(-c3ccsc3)cc2)C2CC2)C1 ZINC000277699176 1026615127 /nfs/dbraw/zinc/61/51/27/1026615127.db2.gz LWNPZUKRQNRPRA-GOSISDBHSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(-c3ccsc3)cc2)C2CC2)C1 ZINC000277699176 1026615130 /nfs/dbraw/zinc/61/51/30/1026615130.db2.gz LWNPZUKRQNRPRA-GOSISDBHSA-N 1 2 347.505 3.567 20 0 EHADLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc(Br)c1 ZINC000452329539 1026661452 /nfs/dbraw/zinc/66/14/52/1026661452.db2.gz BWULHOSLQWXNRH-LLVKDONJSA-N 1 2 348.244 3.724 20 0 EHADLO Cc1sc(NC(=O)COc2ccccc2-n2cc[nH+]c2)c(C)c1C ZINC000531194125 1026666591 /nfs/dbraw/zinc/66/65/91/1026666591.db2.gz ZAGDUVNZUSZJDN-UHFFFAOYSA-N 1 2 341.436 3.877 20 0 EHADLO Cc1cc(NCc2ccnc(N3CCCCC3)c2)nc(C(C)C)[nH+]1 ZINC000301068070 1026672939 /nfs/dbraw/zinc/67/29/39/1026672939.db2.gz DAPOTNJXIXSQSB-UHFFFAOYSA-N 1 2 325.460 3.906 20 0 EHADLO c1ccc2sc(Nc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000301084291 1026679974 /nfs/dbraw/zinc/67/99/74/1026679974.db2.gz IVKIFCGJOYQDKK-UHFFFAOYSA-N 1 2 325.437 3.872 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)s1 ZINC000342685933 1026719583 /nfs/dbraw/zinc/71/95/83/1026719583.db2.gz XJXKLCLXZSQWLF-HNNXBMFYSA-N 1 2 348.468 3.644 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)s1 ZINC000342685933 1026719592 /nfs/dbraw/zinc/71/95/92/1026719592.db2.gz XJXKLCLXZSQWLF-HNNXBMFYSA-N 1 2 348.468 3.644 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C)cc3)CC2)s1 ZINC000020542005 1026720816 /nfs/dbraw/zinc/72/08/16/1026720816.db2.gz AIZBRAHGKAHFMA-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1Cl ZINC000301339211 1026768262 /nfs/dbraw/zinc/76/82/62/1026768262.db2.gz HPLBJJZMYCNSHI-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1Cl ZINC000301339211 1026768266 /nfs/dbraw/zinc/76/82/66/1026768266.db2.gz HPLBJJZMYCNSHI-GFCCVEGCSA-N 1 2 334.876 3.856 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2ncccc2c1 ZINC000122810373 1026778092 /nfs/dbraw/zinc/77/80/92/1026778092.db2.gz KHUYEGZQNZLYSZ-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000301415930 1026798015 /nfs/dbraw/zinc/79/80/15/1026798015.db2.gz LXTXLUFYKPCSJQ-IAGOWNOFSA-N 1 2 349.438 3.575 20 0 EHADLO COCCSc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301458616 1026812948 /nfs/dbraw/zinc/81/29/48/1026812948.db2.gz TVEDWBNREJEYON-UHFFFAOYSA-N 1 2 337.514 3.642 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757708 1026815199 /nfs/dbraw/zinc/81/51/99/1026815199.db2.gz MBBUQWGHPUQOLE-GWCFXTLKSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757708 1026815207 /nfs/dbraw/zinc/81/52/07/1026815207.db2.gz MBBUQWGHPUQOLE-GWCFXTLKSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(C)c[nH+]1 ZINC000548746316 1026819311 /nfs/dbraw/zinc/81/93/11/1026819311.db2.gz AAQZQBZFNHGNDO-DOTOQJQBSA-N 1 2 327.403 3.717 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCc1ccon1 ZINC000301475003 1026819605 /nfs/dbraw/zinc/81/96/05/1026819605.db2.gz NIPHWILNNGFNIX-UHFFFAOYSA-N 1 2 325.368 3.628 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452541416 1026827016 /nfs/dbraw/zinc/82/70/16/1026827016.db2.gz LRSHOGUZHGIGKJ-QGZVFWFLSA-N 1 2 325.456 3.725 20 0 EHADLO Cc1nc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c2c([nH+]1)CCCC2 ZINC000301567539 1026857872 /nfs/dbraw/zinc/85/78/72/1026857872.db2.gz MRKZXDAAYAPRMD-KRWDZBQOSA-N 1 2 337.423 3.734 20 0 EHADLO Cn1cc([C@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccc(F)cc2)cn1 ZINC000684962908 1026865217 /nfs/dbraw/zinc/86/52/17/1026865217.db2.gz ZGNFYMOTYHZFCV-RTBURBONSA-N 1 2 336.414 3.711 20 0 EHADLO Cc1ccc(-c2nc(CNc3nc(N)c4ccccc4[nH+]3)co2)cc1 ZINC000301756534 1026927700 /nfs/dbraw/zinc/92/77/00/1026927700.db2.gz DUEQYKQWNGQDID-UHFFFAOYSA-N 1 2 331.379 3.788 20 0 EHADLO O=C(CCCNc1cc(C(F)(F)F)cc[nH+]1)N1CCc2ccccc21 ZINC000301787126 1026939011 /nfs/dbraw/zinc/93/90/11/1026939011.db2.gz PIKLIUJYUDYTLI-UHFFFAOYSA-N 1 2 349.356 3.882 20 0 EHADLO CN(C)c1cccc([C@H]2CCCN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000301839494 1026959395 /nfs/dbraw/zinc/95/93/95/1026959395.db2.gz XNNGSMGYIFGHDV-GOSISDBHSA-N 1 2 337.471 3.706 20 0 EHADLO CN(C)c1cccc([C@H]2CCCN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000301839494 1026959403 /nfs/dbraw/zinc/95/94/03/1026959403.db2.gz XNNGSMGYIFGHDV-GOSISDBHSA-N 1 2 337.471 3.706 20 0 EHADLO Nc1nc(NCc2csc(-c3ccccc3)n2)[nH+]c2ccccc12 ZINC000301863541 1026969405 /nfs/dbraw/zinc/96/94/05/1026969405.db2.gz GOHLJDIPADANCK-UHFFFAOYSA-N 1 2 333.420 3.948 20 0 EHADLO Cc1sc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1-c1ccc(F)cc1 ZINC000531502975 1026984348 /nfs/dbraw/zinc/98/43/48/1026984348.db2.gz VKOZJKDUYPSJNP-UHFFFAOYSA-N 1 2 341.411 3.756 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(N2CCCC2)c1 ZINC000301909810 1026990508 /nfs/dbraw/zinc/99/05/08/1026990508.db2.gz RZLQVHQCKXAEKO-CQSZACIVSA-N 1 2 333.439 3.985 20 0 EHADLO Nc1nc(NC[C@@H](O)c2c(Cl)cccc2Cl)[nH+]c2ccccc12 ZINC000301916052 1026993761 /nfs/dbraw/zinc/99/37/61/1026993761.db2.gz VSNOZZGWECMSEI-CYBMUJFWSA-N 1 2 349.221 3.664 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCOC2(CCCCC2)C1 ZINC000301921325 1026994865 /nfs/dbraw/zinc/99/48/65/1026994865.db2.gz KYIATADDDHMNFM-CQSZACIVSA-N 1 2 343.475 3.875 20 0 EHADLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)sc1C ZINC000531534862 1027014417 /nfs/dbraw/zinc/01/44/17/1027014417.db2.gz IKZOSCFNLOWDQJ-GFCCVEGCSA-N 1 2 337.439 3.921 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC3(Cc4ccccc4)CCC3)[nH+]c12 ZINC000531551233 1027017707 /nfs/dbraw/zinc/01/77/07/1027017707.db2.gz WSMMPHJDGBZBEB-UHFFFAOYSA-N 1 2 347.462 3.714 20 0 EHADLO O=C1[C@H](Nc2cccc[nH+]2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000302057100 1027039349 /nfs/dbraw/zinc/03/93/49/1027039349.db2.gz QVBWCLKDLLHJHD-OAHLLOKOSA-N 1 2 349.356 3.704 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000302129214 1027063592 /nfs/dbraw/zinc/06/35/92/1027063592.db2.gz ANPYFSKNZAHEQV-SFHVURJKSA-N 1 2 346.425 3.645 20 0 EHADLO Cc1c[nH+]c(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)n1C ZINC000342789120 1027066067 /nfs/dbraw/zinc/06/60/67/1027066067.db2.gz XQECTMKEGXCOTC-MRXNPFEDSA-N 1 2 337.427 3.506 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123240627 1027071747 /nfs/dbraw/zinc/07/17/47/1027071747.db2.gz JQRRDSRGIVIWBD-VQIMIIECSA-N 1 2 341.455 3.641 20 0 EHADLO CCC1(CC)CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC[S@]1=O ZINC000302219849 1027094080 /nfs/dbraw/zinc/09/40/80/1027094080.db2.gz MJASTODIQMGHJS-HSZRJFAPSA-N 1 2 337.533 3.851 20 0 EHADLO COc1cccc2c(NCc3cccc(N4CCCC4=O)c3)cc[nH+]c12 ZINC000302384243 1027135643 /nfs/dbraw/zinc/13/56/43/1027135643.db2.gz AITOQAIZGKMXLE-UHFFFAOYSA-N 1 2 347.418 3.982 20 0 EHADLO CCOc1ccc2c(c1)[C@@H](Nc1nc(C)[nH+]c3c1CCCC3)CCO2 ZINC000302414060 1027145670 /nfs/dbraw/zinc/14/56/70/1027145670.db2.gz NADSUJQFQAJXEY-SFHVURJKSA-N 1 2 339.439 3.998 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000075532546 1027146264 /nfs/dbraw/zinc/14/62/64/1027146264.db2.gz WMPWRWULWWXJGT-CYBMUJFWSA-N 1 2 331.847 3.747 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000075552247 1027169416 /nfs/dbraw/zinc/16/94/16/1027169416.db2.gz XSEKVFRBEZBYOG-HNNXBMFYSA-N 1 2 341.430 3.767 20 0 EHADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454217975 1027185481 /nfs/dbraw/zinc/18/54/81/1027185481.db2.gz JVKSRJIVQAQLLS-UYAOXDASSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126315298 1027188932 /nfs/dbraw/zinc/18/89/32/1027188932.db2.gz ADCJHOJAPCXZTI-RHSMWYFYSA-N 1 2 345.874 3.924 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000126334722 1027192387 /nfs/dbraw/zinc/19/23/87/1027192387.db2.gz ROBLFQRRRRKWLD-IBGZPJMESA-N 1 2 338.382 3.653 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000126334722 1027192391 /nfs/dbraw/zinc/19/23/91/1027192391.db2.gz ROBLFQRRRRKWLD-IBGZPJMESA-N 1 2 338.382 3.653 20 0 EHADLO COc1cccc2c(N[C@@H](C)c3cn(-c4ccccc4)nn3)cc[nH+]c12 ZINC000302573981 1027203135 /nfs/dbraw/zinc/20/31/35/1027203135.db2.gz ZVQUQBXAHSTLTI-AWEZNQCLSA-N 1 2 345.406 3.997 20 0 EHADLO COc1cccc2c(N[C@H]3CCN(c4ccccn4)C3)c(C)c[nH+]c12 ZINC000302622005 1027217250 /nfs/dbraw/zinc/21/72/50/1027217250.db2.gz HBBFNQJDTJWULA-HNNXBMFYSA-N 1 2 334.423 3.638 20 0 EHADLO CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCO1 ZINC000273005027 1027222531 /nfs/dbraw/zinc/22/25/31/1027222531.db2.gz QFCWBNYHXOZVMW-RHSMWYFYSA-N 1 2 327.428 3.857 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1c(F)cncc1F ZINC000414432763 1027233024 /nfs/dbraw/zinc/23/30/24/1027233024.db2.gz AGGGFONHDBAHFD-QMMMGPOBSA-N 1 2 328.265 3.532 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076074694 1027234008 /nfs/dbraw/zinc/23/40/08/1027234008.db2.gz BVPFJFXGUKPMKW-QZTJIDSGSA-N 1 2 340.471 3.739 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@]1=O ZINC000342806045 1027241700 /nfs/dbraw/zinc/24/17/00/1027241700.db2.gz IJABHGXDSRBRCK-JLCFBVMHSA-N 1 2 333.884 3.960 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@]1=O ZINC000342806045 1027241717 /nfs/dbraw/zinc/24/17/17/1027241717.db2.gz IJABHGXDSRBRCK-JLCFBVMHSA-N 1 2 333.884 3.960 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@@H](C)CC1 ZINC000302705257 1027249331 /nfs/dbraw/zinc/24/93/31/1027249331.db2.gz CCYSKNQWCSBUEG-ZDUSSCGKSA-N 1 2 330.453 3.743 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(NC4CC4)[nH+]cn3)CCO2)cc1 ZINC000665711567 1027257474 /nfs/dbraw/zinc/25/74/74/1027257474.db2.gz XCTNOXPXIUMYCJ-CVEARBPZSA-N 1 2 328.391 3.522 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(NC4CC4)nc[nH+]3)CCO2)cc1 ZINC000665711567 1027257495 /nfs/dbraw/zinc/25/74/95/1027257495.db2.gz XCTNOXPXIUMYCJ-CVEARBPZSA-N 1 2 328.391 3.522 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126949401 1027258930 /nfs/dbraw/zinc/25/89/30/1027258930.db2.gz HLRMGBRLOFOPLD-SFHVURJKSA-N 1 2 341.503 3.927 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126949401 1027258935 /nfs/dbraw/zinc/25/89/35/1027258935.db2.gz HLRMGBRLOFOPLD-SFHVURJKSA-N 1 2 341.503 3.927 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127041694 1027267280 /nfs/dbraw/zinc/26/72/80/1027267280.db2.gz SMVJFWGIVMAQJP-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127041694 1027267296 /nfs/dbraw/zinc/26/72/96/1027267296.db2.gz SMVJFWGIVMAQJP-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c(C)s1 ZINC000302782827 1027289122 /nfs/dbraw/zinc/28/91/22/1027289122.db2.gz KPQLESOEEYYNSP-UKRRQHHQSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c(C)s1 ZINC000302782827 1027289130 /nfs/dbraw/zinc/28/91/30/1027289130.db2.gz KPQLESOEEYYNSP-UKRRQHHQSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(NCc2ccc(N)[nH+]c2)n1 ZINC000302786834 1027292145 /nfs/dbraw/zinc/29/21/45/1027292145.db2.gz WPGFDCFZKXNGDW-UHFFFAOYSA-N 1 2 327.457 3.788 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccc(C)o1)[C@@H](C)c1ccc(F)cc1 ZINC000076546940 1027297106 /nfs/dbraw/zinc/29/71/06/1027297106.db2.gz VPBWJEVQSHIWDM-HNNXBMFYSA-N 1 2 332.419 3.769 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccc(C)o1)[C@@H](C)c1ccc(F)cc1 ZINC000076546940 1027297120 /nfs/dbraw/zinc/29/71/20/1027297120.db2.gz VPBWJEVQSHIWDM-HNNXBMFYSA-N 1 2 332.419 3.769 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000248470744 1027306480 /nfs/dbraw/zinc/30/64/80/1027306480.db2.gz VHJLMCRUMVZWTA-CZUORRHYSA-N 1 2 333.407 3.766 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000248470744 1027306497 /nfs/dbraw/zinc/30/64/97/1027306497.db2.gz VHJLMCRUMVZWTA-CZUORRHYSA-N 1 2 333.407 3.766 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)c2ncnn21 ZINC000657570388 1027334067 /nfs/dbraw/zinc/33/40/67/1027334067.db2.gz SEHCLDUESQZOJE-ABAIWWIYSA-N 1 2 328.803 3.987 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000273252196 1027336334 /nfs/dbraw/zinc/33/63/34/1027336334.db2.gz DENDGYDFECSDRN-JTQLQIEISA-N 1 2 332.404 3.800 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@@H](C)C1 ZINC000248567727 1027339533 /nfs/dbraw/zinc/33/95/33/1027339533.db2.gz NRFNBUAKFAVQFG-KGLIPLIRSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@@H](C)C1 ZINC000248567727 1027339551 /nfs/dbraw/zinc/33/95/51/1027339551.db2.gz NRFNBUAKFAVQFG-KGLIPLIRSA-N 1 2 344.484 3.658 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000273275685 1027351309 /nfs/dbraw/zinc/35/13/09/1027351309.db2.gz IKDLDEUJJKIIBQ-GFCCVEGCSA-N 1 2 343.379 3.980 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302918722 1027361805 /nfs/dbraw/zinc/36/18/05/1027361805.db2.gz YANIIEIXEBLSFC-KBPBESRZSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302918722 1027361827 /nfs/dbraw/zinc/36/18/27/1027361827.db2.gz YANIIEIXEBLSFC-KBPBESRZSA-N 1 2 338.546 3.506 20 0 EHADLO FC(F)(F)Cc1noc(C[NH2+][C@@H](c2ccccc2)C2CCC2)n1 ZINC000072608748 1027363891 /nfs/dbraw/zinc/36/38/91/1027363891.db2.gz KOMOFHWWYUPBSH-HNNXBMFYSA-N 1 2 325.334 3.805 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453107871 1027374405 /nfs/dbraw/zinc/37/44/05/1027374405.db2.gz IDQRLJVSTSUQSU-WFASDCNBSA-N 1 2 341.377 3.960 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)oc1C ZINC000127927195 1027375969 /nfs/dbraw/zinc/37/59/69/1027375969.db2.gz KRESWGRXGSJAKR-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1Br ZINC000459297223 1027376617 /nfs/dbraw/zinc/37/66/17/1027376617.db2.gz FZWVGFJAQBMHEO-AWEZNQCLSA-N 1 2 335.245 3.830 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(O)c1Br ZINC000459297223 1027376621 /nfs/dbraw/zinc/37/66/21/1027376621.db2.gz FZWVGFJAQBMHEO-AWEZNQCLSA-N 1 2 335.245 3.830 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000453129972 1027429795 /nfs/dbraw/zinc/42/97/95/1027429795.db2.gz FJDBICCKRHPTNE-WMZOPIPTSA-N 1 2 343.471 3.620 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000128797443 1027479011 /nfs/dbraw/zinc/47/90/11/1027479011.db2.gz ZVUUCFLYKYVZNT-UHFFFAOYSA-N 1 2 342.283 3.797 20 0 EHADLO CCOc1cccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000128797443 1027479023 /nfs/dbraw/zinc/47/90/23/1027479023.db2.gz ZVUUCFLYKYVZNT-UHFFFAOYSA-N 1 2 342.283 3.797 20 0 EHADLO COc1cccc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000128963579 1027502937 /nfs/dbraw/zinc/50/29/37/1027502937.db2.gz NTBCAPSMLKQOSK-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000657586588 1027532900 /nfs/dbraw/zinc/53/29/00/1027532900.db2.gz JPIUFOKSAYINBA-UHFFFAOYSA-N 1 2 338.407 3.572 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152442271 1027533864 /nfs/dbraw/zinc/53/38/64/1027533864.db2.gz YJJZNIRJQVFSOW-SJORKVTESA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152442271 1027533872 /nfs/dbraw/zinc/53/38/72/1027533872.db2.gz YJJZNIRJQVFSOW-SJORKVTESA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+](CC(=O)OCc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000303380565 1027542256 /nfs/dbraw/zinc/54/22/56/1027542256.db2.gz MKMYORSHDZTPIN-INIZCTEOSA-N 1 2 327.424 3.822 20 0 EHADLO CC[N@@H+](CC(=O)OCc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000303380565 1027542268 /nfs/dbraw/zinc/54/22/68/1027542268.db2.gz MKMYORSHDZTPIN-INIZCTEOSA-N 1 2 327.424 3.822 20 0 EHADLO CCc1nc(C)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000428358786 1027578808 /nfs/dbraw/zinc/57/88/08/1027578808.db2.gz FMKVUDOADSCXKE-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO CCc1nc(C)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000428358786 1027578820 /nfs/dbraw/zinc/57/88/20/1027578820.db2.gz FMKVUDOADSCXKE-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000129856673 1027609964 /nfs/dbraw/zinc/60/99/64/1027609964.db2.gz QHNROCRYKXXECW-INIZCTEOSA-N 1 2 340.492 3.685 20 0 EHADLO COCCC[C@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273768445 1027611191 /nfs/dbraw/zinc/61/11/91/1027611191.db2.gz PNPJHHKZNDACNY-AWEZNQCLSA-N 1 2 326.400 3.512 20 0 EHADLO CCCCCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)C ZINC000119192319 1027616754 /nfs/dbraw/zinc/61/67/54/1027616754.db2.gz NNQQYPBNBKKDAL-UHFFFAOYSA-N 1 2 348.491 3.659 20 0 EHADLO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)n1 ZINC000657607477 1027617829 /nfs/dbraw/zinc/61/78/29/1027617829.db2.gz GFXUTLLCKIALJC-UHFFFAOYSA-N 1 2 348.859 3.623 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2n1 ZINC000129937699 1027619934 /nfs/dbraw/zinc/61/99/34/1027619934.db2.gz JMSCVCZOLNIQQY-KDOFPFPSSA-N 1 2 349.438 3.855 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000130221328 1027648485 /nfs/dbraw/zinc/64/84/85/1027648485.db2.gz UYCBRDKSWOHSCR-MRXNPFEDSA-N 1 2 328.481 3.504 20 0 EHADLO Cc1cc(CNC(=O)NC(C)(C)c2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000422213195 1027652040 /nfs/dbraw/zinc/65/20/40/1027652040.db2.gz RQZLTMNGDBGPDY-UHFFFAOYSA-N 1 2 333.382 3.711 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130328790 1027660862 /nfs/dbraw/zinc/66/08/62/1027660862.db2.gz HKCHUWFQAQRBFY-MRXNPFEDSA-N 1 2 328.481 3.504 20 0 EHADLO OCC[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000420636473 1027674439 /nfs/dbraw/zinc/67/44/39/1027674439.db2.gz GOWSIHUPFFBQOF-ZDUSSCGKSA-N 1 2 349.272 3.986 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130582298 1027682354 /nfs/dbraw/zinc/68/23/54/1027682354.db2.gz ORRCBJGNKYFKNO-SFHVURJKSA-N 1 2 331.419 3.675 20 0 EHADLO CCCC[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000503292549 1027706200 /nfs/dbraw/zinc/70/62/00/1027706200.db2.gz TUTKXTUZKRTLPK-RTBURBONSA-N 1 2 346.515 3.562 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503369221 1027744713 /nfs/dbraw/zinc/74/47/13/1027744713.db2.gz OVJMNDNWBUORQO-IFXJQAMLSA-N 1 2 338.842 3.946 20 0 EHADLO Cc1cc(CNC(=O)NCCOc2ccccc2C(C)C)cc(C)[nH+]1 ZINC000420792757 1027751909 /nfs/dbraw/zinc/75/19/09/1027751909.db2.gz PYAKLEJTGYNJKR-UHFFFAOYSA-N 1 2 341.455 3.700 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc(C)[nH+]1 ZINC000420823190 1027757529 /nfs/dbraw/zinc/75/75/29/1027757529.db2.gz KXZXSPFEHZOXCF-CYBMUJFWSA-N 1 2 331.382 3.865 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cs1 ZINC000131319422 1027768396 /nfs/dbraw/zinc/76/83/96/1027768396.db2.gz UBFMMKLWVOEFON-HNNXBMFYSA-N 1 2 332.517 3.674 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cs1 ZINC000131319422 1027768419 /nfs/dbraw/zinc/76/84/19/1027768419.db2.gz UBFMMKLWVOEFON-HNNXBMFYSA-N 1 2 332.517 3.674 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000420842141 1027783469 /nfs/dbraw/zinc/78/34/69/1027783469.db2.gz CYAHLXSTRZZRSZ-ZFWWWQNUSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628162736 1027784825 /nfs/dbraw/zinc/78/48/25/1027784825.db2.gz BTCDKEACSOKQJV-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628162736 1027784844 /nfs/dbraw/zinc/78/48/44/1027784844.db2.gz BTCDKEACSOKQJV-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO CC(C)(C)Oc1cc[nH+]cc1NCc1cnn(CC(F)(F)F)c1 ZINC000338318432 1027787125 /nfs/dbraw/zinc/78/71/25/1027787125.db2.gz BMKODEQCQMOGSV-UHFFFAOYSA-N 1 2 328.338 3.630 20 0 EHADLO CO[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(Cl)c1 ZINC000420845894 1027789127 /nfs/dbraw/zinc/78/91/27/1027789127.db2.gz IPIJPDHBOKZUKN-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO COc1ncccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000560688013 1027792681 /nfs/dbraw/zinc/79/26/81/1027792681.db2.gz IETNOJIIWUURLE-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO CCc1cc(N2CCOc3ccc(Br)cc3C2)nc(C)[nH+]1 ZINC000338488555 1027821130 /nfs/dbraw/zinc/82/11/30/1027821130.db2.gz ZMEPKIVECQELER-UHFFFAOYSA-N 1 2 348.244 3.509 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342878995 1027849087 /nfs/dbraw/zinc/84/90/87/1027849087.db2.gz AHXAYPLUWMWBHG-MGPUTAFESA-N 1 2 331.419 3.926 20 0 EHADLO c1nc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c(-c2ccccc2)o1 ZINC000359990402 1027890362 /nfs/dbraw/zinc/89/03/62/1027890362.db2.gz BGYHJFRLTKXCIF-MRXNPFEDSA-N 1 2 341.436 3.939 20 0 EHADLO C[C@H](CNC(=O)c1sccc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000153445532 1027930817 /nfs/dbraw/zinc/93/08/17/1027930817.db2.gz WIPVWYMICOEFLC-CQSZACIVSA-N 1 2 325.437 3.678 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@H](C)C3)c2C1 ZINC000444471215 1027939350 /nfs/dbraw/zinc/93/93/50/1027939350.db2.gz XSOPCPPQLSQPKS-GJZGRUSLSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@H](C)C3)c2C1 ZINC000444471215 1027939370 /nfs/dbraw/zinc/93/93/70/1027939370.db2.gz XSOPCPPQLSQPKS-GJZGRUSLSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(C)cc1 ZINC000523142806 1027941957 /nfs/dbraw/zinc/94/19/57/1027941957.db2.gz MGQWOWPCGDLYSB-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(C)cc1 ZINC000523142806 1027941972 /nfs/dbraw/zinc/94/19/72/1027941972.db2.gz MGQWOWPCGDLYSB-OAHLLOKOSA-N 1 2 335.394 3.535 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2)c(C)c[nH+]1 ZINC000536621205 1027971450 /nfs/dbraw/zinc/97/14/50/1027971450.db2.gz NBWDOXITDKBXOD-UHFFFAOYSA-N 1 2 335.407 3.948 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C2(CCC2)C1 ZINC000420992112 1027971853 /nfs/dbraw/zinc/97/18/53/1027971853.db2.gz KAPJGVTYIRFOEY-CYBMUJFWSA-N 1 2 344.680 3.982 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C2(CCC2)C1 ZINC000420992112 1027971870 /nfs/dbraw/zinc/97/18/70/1027971870.db2.gz KAPJGVTYIRFOEY-CYBMUJFWSA-N 1 2 344.680 3.982 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132935376 1027981226 /nfs/dbraw/zinc/98/12/26/1027981226.db2.gz CPSBGVFVIKAWQA-CYBMUJFWSA-N 1 2 343.402 3.545 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H](CC(F)(F)F)C3)ccc2[nH+]1 ZINC000421062166 1028045611 /nfs/dbraw/zinc/04/56/11/1028045611.db2.gz YZHKCQQHXKKKCT-LBPRGKRZSA-N 1 2 340.349 3.839 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)ccc1O ZINC000459372613 1028061171 /nfs/dbraw/zinc/06/11/71/1028061171.db2.gz KKTOFJYRZRPCKJ-YJBOKZPZSA-N 1 2 327.424 3.753 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)ccc1O ZINC000459372613 1028061191 /nfs/dbraw/zinc/06/11/91/1028061191.db2.gz KKTOFJYRZRPCKJ-YJBOKZPZSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(-c2ccccc2)cc1 ZINC000533556890 1028076098 /nfs/dbraw/zinc/07/60/98/1028076098.db2.gz PKECQMQKCKOJMI-UHFFFAOYSA-N 1 2 345.446 3.911 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(C(=O)C(C)C)cc2)cc(C)[nH+]1 ZINC000421109814 1028091801 /nfs/dbraw/zinc/09/18/01/1028091801.db2.gz HLYGYTXGXAPSFK-UHFFFAOYSA-N 1 2 325.412 3.859 20 0 EHADLO CCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000078683908 1028092298 /nfs/dbraw/zinc/09/22/98/1028092298.db2.gz JBSYZXPHQVMSFJ-LJQANCHMSA-N 1 2 337.467 3.882 20 0 EHADLO CCc1c(NC(=O)NCc2cc(C)[nH+]c(C)c2)cnn1-c1ccccc1 ZINC000421101741 1028108379 /nfs/dbraw/zinc/10/83/79/1028108379.db2.gz RGKMYYLIRHTGLA-UHFFFAOYSA-N 1 2 349.438 3.768 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1ccccc1 ZINC000423023248 1028120457 /nfs/dbraw/zinc/12/04/57/1028120457.db2.gz HCVNCPDUGLXMBE-KBXCAEBGSA-N 1 2 332.394 3.521 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444668601 1028140042 /nfs/dbraw/zinc/14/00/42/1028140042.db2.gz CNFJUFQPSSVSRY-UHFFFAOYSA-N 1 2 330.444 3.783 20 0 EHADLO CC(=O)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000421183474 1028160492 /nfs/dbraw/zinc/16/04/92/1028160492.db2.gz NYBKOLQOMRGOID-UHFFFAOYSA-N 1 2 339.435 3.609 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696340 1028172682 /nfs/dbraw/zinc/17/26/82/1028172682.db2.gz VVBYCEZBYNDAEK-CABCVRRESA-N 1 2 346.421 3.705 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696340 1028172691 /nfs/dbraw/zinc/17/26/91/1028172691.db2.gz VVBYCEZBYNDAEK-CABCVRRESA-N 1 2 346.421 3.705 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696543 1028173458 /nfs/dbraw/zinc/17/34/58/1028173458.db2.gz VVBYCEZBYNDAEK-HUUCEWRRSA-N 1 2 346.421 3.705 20 0 EHADLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696543 1028173469 /nfs/dbraw/zinc/17/34/69/1028173469.db2.gz VVBYCEZBYNDAEK-HUUCEWRRSA-N 1 2 346.421 3.705 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696547 1028174251 /nfs/dbraw/zinc/17/42/51/1028174251.db2.gz VVBYCEZBYNDAEK-LSDHHAIUSA-N 1 2 346.421 3.705 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444696547 1028174263 /nfs/dbraw/zinc/17/42/63/1028174263.db2.gz VVBYCEZBYNDAEK-LSDHHAIUSA-N 1 2 346.421 3.705 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(F)cc(F)c2)c(C)s1 ZINC000444703213 1028176689 /nfs/dbraw/zinc/17/66/89/1028176689.db2.gz JPZKRTQVYMGZNH-UHFFFAOYSA-N 1 2 325.380 3.753 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2)c(C)s1 ZINC000444703213 1028176704 /nfs/dbraw/zinc/17/67/04/1028176704.db2.gz JPZKRTQVYMGZNH-UHFFFAOYSA-N 1 2 325.380 3.753 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC000509543943 1028185956 /nfs/dbraw/zinc/18/59/56/1028185956.db2.gz OVCKROQKOQDVNH-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC000509543943 1028185961 /nfs/dbraw/zinc/18/59/61/1028185961.db2.gz OVCKROQKOQDVNH-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c(C)[nH+]1 ZINC000455471784 1028204092 /nfs/dbraw/zinc/20/40/92/1028204092.db2.gz BIZRHCPDFRAAOX-CRAIPNDOSA-N 1 2 339.439 3.863 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000135602205 1028207200 /nfs/dbraw/zinc/20/72/00/1028207200.db2.gz IGSYPHLZPQKQPZ-CQSZACIVSA-N 1 2 345.397 3.674 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000135602205 1028207209 /nfs/dbraw/zinc/20/72/09/1028207209.db2.gz IGSYPHLZPQKQPZ-CQSZACIVSA-N 1 2 345.397 3.674 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739661 1028223709 /nfs/dbraw/zinc/22/37/09/1028223709.db2.gz VGLFQCDMPWUZJO-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739661 1028223720 /nfs/dbraw/zinc/22/37/20/1028223720.db2.gz VGLFQCDMPWUZJO-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c(C)[nH+]1 ZINC000455497464 1028229635 /nfs/dbraw/zinc/22/96/35/1028229635.db2.gz QFJMJXLWIBNEFH-INIZCTEOSA-N 1 2 329.448 3.649 20 0 EHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000136361621 1028250577 /nfs/dbraw/zinc/25/05/77/1028250577.db2.gz CAIKXZDVZWBGRF-HNNXBMFYSA-N 1 2 344.484 3.512 20 0 EHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000136361621 1028250591 /nfs/dbraw/zinc/25/05/91/1028250591.db2.gz CAIKXZDVZWBGRF-HNNXBMFYSA-N 1 2 344.484 3.512 20 0 EHADLO CCCOc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cn1 ZINC000455490207 1028262305 /nfs/dbraw/zinc/26/23/05/1028262305.db2.gz WLPYVGJUCRLMSJ-UHFFFAOYSA-N 1 2 328.416 3.512 20 0 EHADLO COCCC[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000066378629 1028263322 /nfs/dbraw/zinc/26/33/22/1028263322.db2.gz KUTKPJQMLXLECZ-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO COCCC[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000066378629 1028263334 /nfs/dbraw/zinc/26/33/34/1028263334.db2.gz KUTKPJQMLXLECZ-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccccc2OC(F)F)c(C)[nH+]1 ZINC000455519782 1028269117 /nfs/dbraw/zinc/26/91/17/1028269117.db2.gz MCTNAXIOZRAFHO-UHFFFAOYSA-N 1 2 349.381 3.972 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2cccc(COC(C)(C)C)c2)nn1C ZINC000421330785 1028275698 /nfs/dbraw/zinc/27/56/98/1028275698.db2.gz YNCPNYLTPIUGIY-UHFFFAOYSA-N 1 2 335.879 3.987 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(-c3cnn(C)c3)c2)c(C)[nH+]1 ZINC000455506661 1028281424 /nfs/dbraw/zinc/28/14/24/1028281424.db2.gz YKLCGLRLCRPHBN-UHFFFAOYSA-N 1 2 349.438 3.729 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1scnc1C1CC1 ZINC000342942312 1028287399 /nfs/dbraw/zinc/28/73/99/1028287399.db2.gz YALHEIZSSFDPEX-UHFFFAOYSA-N 1 2 339.424 3.528 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1ccsc1 ZINC000421366777 1028320419 /nfs/dbraw/zinc/32/04/19/1028320419.db2.gz CSTSYBHVMCMGQJ-HNNXBMFYSA-N 1 2 341.484 3.755 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1ccsc1 ZINC000421366777 1028320433 /nfs/dbraw/zinc/32/04/33/1028320433.db2.gz CSTSYBHVMCMGQJ-HNNXBMFYSA-N 1 2 341.484 3.755 20 0 EHADLO COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]3C(F)F)CC2)c1 ZINC000353186147 1028352100 /nfs/dbraw/zinc/35/21/00/1028352100.db2.gz VJZHXFOOPJPAKE-MRXNPFEDSA-N 1 2 325.399 3.722 20 0 EHADLO COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]3C(F)F)CC2)c1 ZINC000353186147 1028352117 /nfs/dbraw/zinc/35/21/17/1028352117.db2.gz VJZHXFOOPJPAKE-MRXNPFEDSA-N 1 2 325.399 3.722 20 0 EHADLO CCc1nc(C)c(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000428384736 1028435247 /nfs/dbraw/zinc/43/52/47/1028435247.db2.gz XONKGYPWBZMXIM-OAHLLOKOSA-N 1 2 331.435 3.563 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000428384736 1028435253 /nfs/dbraw/zinc/43/52/53/1028435253.db2.gz XONKGYPWBZMXIM-OAHLLOKOSA-N 1 2 331.435 3.563 20 0 EHADLO CSc1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(Cl)n1 ZINC001142427310 1028443069 /nfs/dbraw/zinc/44/30/69/1028443069.db2.gz MTADWFCCLKPLGO-HNNXBMFYSA-N 1 2 349.887 3.895 20 0 EHADLO CSc1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c(Cl)n1 ZINC001142427310 1028443082 /nfs/dbraw/zinc/44/30/82/1028443082.db2.gz MTADWFCCLKPLGO-HNNXBMFYSA-N 1 2 349.887 3.895 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3)CC2)n1 ZINC000121716292 1028446521 /nfs/dbraw/zinc/44/65/21/1028446521.db2.gz SZSHIJXVBDMUNM-OAHLLOKOSA-N 1 2 346.500 3.596 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3)CC2)n1 ZINC000121716292 1028446528 /nfs/dbraw/zinc/44/65/28/1028446528.db2.gz SZSHIJXVBDMUNM-OAHLLOKOSA-N 1 2 346.500 3.596 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126046636 1028462405 /nfs/dbraw/zinc/46/24/05/1028462405.db2.gz OGAFYECPEFQSDT-OAHLLOKOSA-N 1 2 347.256 3.807 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126046636 1028462399 /nfs/dbraw/zinc/46/23/99/1028462399.db2.gz OGAFYECPEFQSDT-OAHLLOKOSA-N 1 2 347.256 3.807 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000455555901 1028471472 /nfs/dbraw/zinc/47/14/72/1028471472.db2.gz JORBHPKWNNEWAJ-KRWDZBQOSA-N 1 2 341.430 3.612 20 0 EHADLO Nc1cc(Br)ncc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086564 1028494865 /nfs/dbraw/zinc/49/48/65/1028494865.db2.gz SDCORUQHJXBCSK-UHFFFAOYSA-N 1 2 330.189 3.560 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000455568919 1028518527 /nfs/dbraw/zinc/51/85/27/1028518527.db2.gz JTJKYMKYKKEIRC-LJQANCHMSA-N 1 2 345.393 3.618 20 0 EHADLO Cc1cc(CNC(=O)CCc2ccc(OC(F)F)cc2)cc(C)[nH+]1 ZINC000421560648 1028537300 /nfs/dbraw/zinc/53/73/00/1028537300.db2.gz QYNDAMASYYDYAH-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO CC[C@H](C)Oc1cc(CN2CCc3c([nH+]cn3CC)C2)ccc1OC ZINC000897336270 1028548391 /nfs/dbraw/zinc/54/83/91/1028548391.db2.gz BDKCWLIFRPOLQV-HNNXBMFYSA-N 1 2 343.471 3.647 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc(C)[nH+]1 ZINC000421552842 1028552234 /nfs/dbraw/zinc/55/22/34/1028552234.db2.gz CLOGFYHCXJJCRT-UHFFFAOYSA-N 1 2 346.434 3.692 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000073409223 1028556715 /nfs/dbraw/zinc/55/67/15/1028556715.db2.gz NZOHLHXIMKVBOC-UHFFFAOYSA-N 1 2 331.441 3.997 20 0 EHADLO Cc1cc(CNC(=O)CCc2nc3ccccc3s2)cc(C)[nH+]1 ZINC000421557833 1028557885 /nfs/dbraw/zinc/55/78/85/1028557885.db2.gz LYQBEBPDAMBTQB-UHFFFAOYSA-N 1 2 325.437 3.557 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2CCOc3ccc(Cl)cc32)cc(C)[nH+]1 ZINC000421574861 1028566801 /nfs/dbraw/zinc/56/68/01/1028566801.db2.gz HWVYHEPGSRYRMT-HNNXBMFYSA-N 1 2 330.815 3.534 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)c[nH+]1 ZINC000455574236 1028573956 /nfs/dbraw/zinc/57/39/56/1028573956.db2.gz QRGRMXMXDAQRMV-AWEZNQCLSA-N 1 2 349.356 3.602 20 0 EHADLO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000423716029 1028582422 /nfs/dbraw/zinc/58/24/22/1028582422.db2.gz VQOSAOYZQUXQBV-ZWNOBZJWSA-N 1 2 331.243 3.935 20 0 EHADLO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000423716024 1028582741 /nfs/dbraw/zinc/58/27/41/1028582741.db2.gz VQOSAOYZQUXQBV-GWCFXTLKSA-N 1 2 331.243 3.935 20 0 EHADLO CCCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1OCC ZINC000897337226 1028588817 /nfs/dbraw/zinc/58/88/17/1028588817.db2.gz XQLXPJTVCUZQDB-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000459389526 1028608993 /nfs/dbraw/zinc/60/89/93/1028608993.db2.gz QVLFPERTWITBQA-OXJNMPFZSA-N 1 2 343.471 3.700 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccnc(F)c1 ZINC000195346599 1028632816 /nfs/dbraw/zinc/63/28/16/1028632816.db2.gz UCRJFVABEFETQT-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cccc3cc[nH]c32)c2nccn2C)cc1 ZINC000237333727 1028647299 /nfs/dbraw/zinc/64/72/99/1028647299.db2.gz RHBAREZPHPIVNN-HXUWFJFHSA-N 1 2 346.434 3.789 20 0 EHADLO O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728540443 1028674700 /nfs/dbraw/zinc/67/47/00/1028674700.db2.gz ANPCWDLGVCATHL-CYBMUJFWSA-N 1 2 337.395 3.675 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(c1ccccc1)c1ccccc1 ZINC000509669844 1028711405 /nfs/dbraw/zinc/71/14/05/1028711405.db2.gz WPQKWNWXVAUGHS-OAHLLOKOSA-N 1 2 343.434 3.996 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000245457935 1028712794 /nfs/dbraw/zinc/71/27/94/1028712794.db2.gz CIBRXQVTUFXJCZ-IZHWHUGBSA-N 1 2 346.496 3.637 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000245457935 1028712799 /nfs/dbraw/zinc/71/27/99/1028712799.db2.gz CIBRXQVTUFXJCZ-IZHWHUGBSA-N 1 2 346.496 3.637 20 0 EHADLO CC(C)c1ccc2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)[nH]c2c1 ZINC000728541747 1028749468 /nfs/dbraw/zinc/74/94/68/1028749468.db2.gz JTWPNRIHXLTPJL-KRWDZBQOSA-N 1 2 336.439 3.965 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c(C)cccc1Cl ZINC000469953519 1028751459 /nfs/dbraw/zinc/75/14/59/1028751459.db2.gz OIUGRVKTTTUUHO-UHFFFAOYSA-N 1 2 347.890 3.889 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075694451 1028766124 /nfs/dbraw/zinc/76/61/24/1028766124.db2.gz KTXRKYXVXDHRMC-LJQANCHMSA-N 1 2 347.418 3.858 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000454341175 1028770882 /nfs/dbraw/zinc/77/08/82/1028770882.db2.gz QQZAPHIUSZZUAG-MRXNPFEDSA-N 1 2 344.503 3.518 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C)CC2)nc1-c1ccncc1 ZINC000052085729 1028772973 /nfs/dbraw/zinc/77/29/73/1028772973.db2.gz HLPIQDZWYPDYLE-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C)CC2)nc1-c1ccncc1 ZINC000052085729 1028772986 /nfs/dbraw/zinc/77/29/86/1028772986.db2.gz HLPIQDZWYPDYLE-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000502889554 1028783993 /nfs/dbraw/zinc/78/39/93/1028783993.db2.gz YNLPSBPUAJFIEO-ROUUACIJSA-N 1 2 325.399 3.548 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000502889554 1028784005 /nfs/dbraw/zinc/78/40/05/1028784005.db2.gz YNLPSBPUAJFIEO-ROUUACIJSA-N 1 2 325.399 3.548 20 0 EHADLO COc1cccc([C@@H](CN[C@H](C)c2ccncc2Cl)[NH+](C)C)c1 ZINC000421799892 1028788140 /nfs/dbraw/zinc/78/81/40/1028788140.db2.gz GBXQQNZPHGXORB-FZKQIMNGSA-N 1 2 333.863 3.697 20 0 EHADLO C[N@H+](Cc1nc(-c2cnn(-c3ccccc3)c2)no1)Cc1ccccc1 ZINC000445437053 1028793379 /nfs/dbraw/zinc/79/33/79/1028793379.db2.gz XZPJUKKSJKBNNB-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO C[N@@H+](Cc1nc(-c2cnn(-c3ccccc3)c2)no1)Cc1ccccc1 ZINC000445437053 1028793394 /nfs/dbraw/zinc/79/33/94/1028793394.db2.gz XZPJUKKSJKBNNB-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C(C)C)C2CC2)c(C)c1 ZINC000532752998 1028797766 /nfs/dbraw/zinc/79/77/66/1028797766.db2.gz XRAMKLJVULQKSB-LJQANCHMSA-N 1 2 340.471 3.824 20 0 EHADLO O=C(CCc1ccccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247869221 1028821957 /nfs/dbraw/zinc/82/19/57/1028821957.db2.gz QANPAHYPJGHKCQ-UHFFFAOYSA-N 1 2 343.858 3.584 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(F)cc1 ZINC000532785591 1028836354 /nfs/dbraw/zinc/83/63/54/1028836354.db2.gz VBPYIWWCZKZPCC-INIZCTEOSA-N 1 2 347.821 3.843 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1cc(F)ccc1F ZINC000445487899 1028848247 /nfs/dbraw/zinc/84/82/47/1028848247.db2.gz UQPMPWRGINQGMC-HSZRJFAPSA-N 1 2 332.375 3.517 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000424179468 1028851237 /nfs/dbraw/zinc/85/12/37/1028851237.db2.gz SZXSXDZYVBUTKA-GOSISDBHSA-N 1 2 343.471 3.507 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1C ZINC000504790053 1028900763 /nfs/dbraw/zinc/90/07/63/1028900763.db2.gz MZYWTGWUQSLTAV-ZIFCJYIRSA-N 1 2 337.467 3.648 20 0 EHADLO C[C@@H](c1ccccc1)S(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445540695 1028902750 /nfs/dbraw/zinc/90/27/50/1028902750.db2.gz HCASTNANBNLBMC-INIZCTEOSA-N 1 2 340.448 3.607 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1C(C)C ZINC000421913428 1028910758 /nfs/dbraw/zinc/91/07/58/1028910758.db2.gz FPGLLEBAGPPINE-UHFFFAOYSA-N 1 2 327.428 3.591 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123420655 1028910939 /nfs/dbraw/zinc/91/09/39/1028910939.db2.gz GELOJBNIZCBFAZ-TXPKVOOTSA-N 1 2 343.446 3.701 20 0 EHADLO O=S(=O)(Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000445556645 1028918242 /nfs/dbraw/zinc/91/82/42/1028918242.db2.gz HNFJWONMOPYGCP-UHFFFAOYSA-N 1 2 346.839 3.559 20 0 EHADLO Cc1ccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000445559180 1028921930 /nfs/dbraw/zinc/92/19/30/1028921930.db2.gz SOYQDHIPVFBFSZ-UHFFFAOYSA-N 1 2 340.448 3.522 20 0 EHADLO Cc1cc(CNC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421919927 1028935821 /nfs/dbraw/zinc/93/58/21/1028935821.db2.gz NGKSYELLDVSOES-GFCCVEGCSA-N 1 2 344.842 3.877 20 0 EHADLO Cc1nc(N2CCc3ccc(Br)cc3C2)c(C)c(C)[nH+]1 ZINC000343068477 1028940342 /nfs/dbraw/zinc/94/03/42/1028940342.db2.gz BEMNJLGUKSDORT-UHFFFAOYSA-N 1 2 332.245 3.727 20 0 EHADLO CCC(C)(C)CCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445553414 1028941340 /nfs/dbraw/zinc/94/13/40/1028941340.db2.gz XMHNYEPODWEZAZ-UHFFFAOYSA-N 1 2 334.485 3.673 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000504826584 1028948339 /nfs/dbraw/zinc/94/83/39/1028948339.db2.gz SPOFWAVGHVLQPP-OXQOHEQNSA-N 1 2 345.446 3.624 20 0 EHADLO CO[C@H]1C[C@H]2C[C@H](Nc3ccccc3OCCn3cc[nH+]c3)C[C@H]2C1 ZINC000424281572 1028953908 /nfs/dbraw/zinc/95/39/08/1028953908.db2.gz NQLOIPZHVSRCFE-KNCDZKKRSA-N 1 2 341.455 3.578 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000076357299 1028969685 /nfs/dbraw/zinc/96/96/85/1028969685.db2.gz GQUPBJXRMMAGJY-OAHLLOKOSA-N 1 2 337.398 3.904 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)s1 ZINC000424323241 1028971212 /nfs/dbraw/zinc/97/12/12/1028971212.db2.gz IVEPERYBZVIIRJ-RNCFNFMXSA-N 1 2 336.844 3.921 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)s1 ZINC000424330045 1028978259 /nfs/dbraw/zinc/97/82/59/1028978259.db2.gz QBXUWQCDIKFXDH-WCBMZHEXSA-N 1 2 339.486 3.669 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc2ccccc21 ZINC000414561604 1028987958 /nfs/dbraw/zinc/98/79/58/1028987958.db2.gz ZMXWJSZJZCPSRF-UHFFFAOYSA-N 1 2 325.437 3.867 20 0 EHADLO CC1=C(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCO1 ZINC000278102548 1029005608 /nfs/dbraw/zinc/00/56/08/1029005608.db2.gz KKLGHKXYRRFQMF-UHFFFAOYSA-N 1 2 337.423 3.909 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367236533 1029006020 /nfs/dbraw/zinc/00/60/20/1029006020.db2.gz GFERFLSFACULKR-MRXNPFEDSA-N 1 2 346.519 3.791 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000524252502 1029010828 /nfs/dbraw/zinc/01/08/28/1029010828.db2.gz NVPCIEIHPXHOEA-QFBILLFUSA-N 1 2 327.476 3.755 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000524252502 1029010845 /nfs/dbraw/zinc/01/08/45/1029010845.db2.gz NVPCIEIHPXHOEA-QFBILLFUSA-N 1 2 327.476 3.755 20 0 EHADLO c1cc2c(nc[nH+]c2Nc2ccc3nc(N4CCCC4)sc3c2)[nH]1 ZINC000524234431 1029012905 /nfs/dbraw/zinc/01/29/05/1029012905.db2.gz PAEIFBPXLNQRFW-UHFFFAOYSA-N 1 2 336.424 3.911 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cccc3ccccc32)n1 ZINC000076720372 1029037093 /nfs/dbraw/zinc/03/70/93/1029037093.db2.gz IORWRXXMDCHBSJ-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc3ccccc32)n1 ZINC000076720372 1029037102 /nfs/dbraw/zinc/03/71/02/1029037102.db2.gz IORWRXXMDCHBSJ-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc(F)cc1Cl ZINC000076756317 1029042106 /nfs/dbraw/zinc/04/21/06/1029042106.db2.gz QZLSXPFTBNFVOX-HNNXBMFYSA-N 1 2 347.821 3.604 20 0 EHADLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc(F)cc1Cl ZINC000076756317 1029042118 /nfs/dbraw/zinc/04/21/18/1029042118.db2.gz QZLSXPFTBNFVOX-HNNXBMFYSA-N 1 2 347.821 3.604 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 ZINC000076993673 1029069986 /nfs/dbraw/zinc/06/99/86/1029069986.db2.gz RTZSTAFNYSXLEF-ZDUSSCGKSA-N 1 2 344.465 3.508 20 0 EHADLO Cc1csc(C2([NH2+]Cn3nccc3-c3cccnc3)CCCC2)n1 ZINC000179178104 1029073389 /nfs/dbraw/zinc/07/33/89/1029073389.db2.gz DJTHVMNKKGAEQG-UHFFFAOYSA-N 1 2 339.468 3.727 20 0 EHADLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000422176093 1029112314 /nfs/dbraw/zinc/11/23/14/1029112314.db2.gz BADXHUQLDDBRJE-GOSISDBHSA-N 1 2 348.450 3.812 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532968503 1029113685 /nfs/dbraw/zinc/11/36/85/1029113685.db2.gz FBVFSUFDPMPRHH-HXUWFJFHSA-N 1 2 345.483 3.962 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C)s2)ccc1OCC(C)C ZINC000271650848 1029113778 /nfs/dbraw/zinc/11/37/78/1029113778.db2.gz IWAJKOZUHRZCSV-GFCCVEGCSA-N 1 2 335.473 3.741 20 0 EHADLO CSc1cccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1C ZINC000271704794 1029130804 /nfs/dbraw/zinc/13/08/04/1029130804.db2.gz NETKLAJESUHAJD-UHFFFAOYSA-N 1 2 330.457 3.571 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000077679346 1029137805 /nfs/dbraw/zinc/13/78/05/1029137805.db2.gz OSPNSUFHSGKUBN-YESZJQIVSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000077679346 1029137815 /nfs/dbraw/zinc/13/78/15/1029137815.db2.gz OSPNSUFHSGKUBN-YESZJQIVSA-N 1 2 345.487 3.560 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434168955 1029141190 /nfs/dbraw/zinc/14/11/90/1029141190.db2.gz XHZRAMLOMXNVNF-KBAYOESNSA-N 1 2 331.460 3.603 20 0 EHADLO C[N@H+](CCN1CCCC1=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000532975493 1029151277 /nfs/dbraw/zinc/15/12/77/1029151277.db2.gz PQFBBGISEHGZOT-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO C[N@@H+](CCN1CCCC1=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000532975493 1029151282 /nfs/dbraw/zinc/15/12/82/1029151282.db2.gz PQFBBGISEHGZOT-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000614963718 1029154842 /nfs/dbraw/zinc/15/48/42/1029154842.db2.gz QEXKTPPAXNWTPQ-RDPSFJRHSA-N 1 2 336.460 3.868 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[C@H](F)C3)n2)CC1 ZINC000424600087 1029158056 /nfs/dbraw/zinc/15/80/56/1029158056.db2.gz CEUKNXAYSSLWIZ-KGLIPLIRSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000424602039 1029161479 /nfs/dbraw/zinc/16/14/79/1029161479.db2.gz DTGIOOFDHRJNNE-JKSUJKDBSA-N 1 2 327.428 3.727 20 0 EHADLO COc1ccc([C@@H](C)C[N@@H+]2CCOC[C@@H]2c2nc(C)cs2)cc1 ZINC000251848594 1029162886 /nfs/dbraw/zinc/16/28/86/1029162886.db2.gz PPDWXRKDSVWYEN-SUMWQHHRSA-N 1 2 332.469 3.637 20 0 EHADLO COc1ccc([C@@H](C)C[N@H+]2CCOC[C@@H]2c2nc(C)cs2)cc1 ZINC000251848594 1029162906 /nfs/dbraw/zinc/16/29/06/1029162906.db2.gz PPDWXRKDSVWYEN-SUMWQHHRSA-N 1 2 332.469 3.637 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000424710131 1029259433 /nfs/dbraw/zinc/25/94/33/1029259433.db2.gz OUKRUBZBIOXRMP-INIZCTEOSA-N 1 2 325.456 3.693 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000424710131 1029259447 /nfs/dbraw/zinc/25/94/47/1029259447.db2.gz OUKRUBZBIOXRMP-INIZCTEOSA-N 1 2 325.456 3.693 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[C@H]1C ZINC000424704254 1029283665 /nfs/dbraw/zinc/28/36/65/1029283665.db2.gz WJYJPKJLVCJGDS-IEBWSBKVSA-N 1 2 343.515 3.973 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnn(C(C)(C)C)c1 ZINC000161758724 1029286228 /nfs/dbraw/zinc/28/62/28/1029286228.db2.gz SRRUOBPNDLUORN-UHFFFAOYSA-N 1 2 346.450 3.626 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnn(C(C)(C)C)c1 ZINC000161758724 1029286230 /nfs/dbraw/zinc/28/62/30/1029286230.db2.gz SRRUOBPNDLUORN-UHFFFAOYSA-N 1 2 346.450 3.626 20 0 EHADLO CSc1ccc(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000272067646 1029296425 /nfs/dbraw/zinc/29/64/25/1029296425.db2.gz TXICATDQXAPSMB-CQSZACIVSA-N 1 2 342.468 3.512 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000272080250 1029302639 /nfs/dbraw/zinc/30/26/39/1029302639.db2.gz FRHBVODMJZOKLD-CRAIPNDOSA-N 1 2 326.444 3.502 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000583223309 1029311557 /nfs/dbraw/zinc/31/15/57/1029311557.db2.gz OIJBGQGHCJYODS-SFHVURJKSA-N 1 2 335.382 3.737 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000524555252 1029312542 /nfs/dbraw/zinc/31/25/42/1029312542.db2.gz IJSDQRCDLTZPQB-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000524555252 1029312556 /nfs/dbraw/zinc/31/25/56/1029312556.db2.gz IJSDQRCDLTZPQB-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c[nH+]1 ZINC000454778866 1029321722 /nfs/dbraw/zinc/32/17/22/1029321722.db2.gz UDOWPMCUMXFXAO-CYBMUJFWSA-N 1 2 331.382 3.865 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524592398 1029343514 /nfs/dbraw/zinc/34/35/14/1029343514.db2.gz KSPPPUUQAFZANO-LBPRGKRZSA-N 1 2 339.304 3.831 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524592398 1029343530 /nfs/dbraw/zinc/34/35/30/1029343530.db2.gz KSPPPUUQAFZANO-LBPRGKRZSA-N 1 2 339.304 3.831 20 0 EHADLO O=C(CC/C=C\c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000254988800 1029344828 /nfs/dbraw/zinc/34/48/28/1029344828.db2.gz RWIHHIVDSALINJ-WMZJFQQLSA-N 1 2 331.419 3.982 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC[C@@H](C)CC)CC2)cc1 ZINC000505201486 1029352409 /nfs/dbraw/zinc/35/24/09/1029352409.db2.gz UHGKGKVGDQKIRP-KRWDZBQOSA-N 1 2 332.488 3.556 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000505207832 1029360510 /nfs/dbraw/zinc/36/05/10/1029360510.db2.gz WHNIKZWZHWUUJZ-VQIMIIECSA-N 1 2 346.434 3.583 20 0 EHADLO Cc1ccccc1-c1noc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC001212091498 1029389694 /nfs/dbraw/zinc/38/96/94/1029389694.db2.gz XOQDHHXAPHBEMA-CQSZACIVSA-N 1 2 344.212 3.856 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000152048015 1029395075 /nfs/dbraw/zinc/39/50/75/1029395075.db2.gz FRUQPLNHGPAQFI-NVXWUHKLSA-N 1 2 332.492 3.692 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[nH]1 ZINC000272333983 1029421166 /nfs/dbraw/zinc/42/11/66/1029421166.db2.gz SCMCTHFJGVBDNA-CYBMUJFWSA-N 1 2 344.459 3.734 20 0 EHADLO Cc1ccccc1C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272387980 1029444312 /nfs/dbraw/zinc/44/43/12/1029444312.db2.gz WJNQTFLTDPGIMF-UHFFFAOYSA-N 1 2 346.434 3.596 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000505294551 1029446571 /nfs/dbraw/zinc/44/65/71/1029446571.db2.gz WMSIBSPBIKPTKJ-UHFFFAOYSA-N 1 2 347.462 3.560 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000611757894 1029459991 /nfs/dbraw/zinc/45/99/91/1029459991.db2.gz NRXYVOZPGKGZQP-QXCFHYIPSA-N 1 2 337.467 3.566 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454929891 1029468282 /nfs/dbraw/zinc/46/82/82/1029468282.db2.gz RFPJSMVAIJLFEL-UONOGXRCSA-N 1 2 343.858 3.851 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425027547 1029481851 /nfs/dbraw/zinc/48/18/51/1029481851.db2.gz DZHXTTLVOBCYEV-LBPRGKRZSA-N 1 2 347.846 3.543 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272495928 1029482751 /nfs/dbraw/zinc/48/27/51/1029482751.db2.gz CXIOELPXFGJQBV-HUUCEWRRSA-N 1 2 347.484 3.785 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272495928 1029482755 /nfs/dbraw/zinc/48/27/55/1029482755.db2.gz CXIOELPXFGJQBV-HUUCEWRRSA-N 1 2 347.484 3.785 20 0 EHADLO c1c(C[NH2+]Cc2cccc3c2OCCCO3)noc1-c1ccccc1 ZINC000583275907 1029517726 /nfs/dbraw/zinc/51/77/26/1029517726.db2.gz CWCRORGKUHAPDM-UHFFFAOYSA-N 1 2 336.391 3.793 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cs1 ZINC000272637570 1029545160 /nfs/dbraw/zinc/54/51/60/1029545160.db2.gz XCVRSFOGCOJGSJ-CABCVRRESA-N 1 2 332.469 3.751 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cs1 ZINC000272637570 1029545173 /nfs/dbraw/zinc/54/51/73/1029545173.db2.gz XCVRSFOGCOJGSJ-CABCVRRESA-N 1 2 332.469 3.751 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272650169 1029550101 /nfs/dbraw/zinc/55/01/01/1029550101.db2.gz MWRJADCTXUPSAR-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272650169 1029550111 /nfs/dbraw/zinc/55/01/11/1029550111.db2.gz MWRJADCTXUPSAR-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cc(N2CCCN(c3ccc(F)c(F)c3)CC2)nc(C2CC2)[nH+]1 ZINC000343159472 1029557864 /nfs/dbraw/zinc/55/78/64/1029557864.db2.gz RCUBSFQWLFPORP-UHFFFAOYSA-N 1 2 344.409 3.657 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ncsc3C(C)C)[nH+]c12 ZINC000685114911 1029566762 /nfs/dbraw/zinc/56/67/62/1029566762.db2.gz AJMCWCYBNAIVQX-UHFFFAOYSA-N 1 2 343.456 3.587 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475642825 1029642504 /nfs/dbraw/zinc/64/25/04/1029642504.db2.gz VMOPSALVALDYGU-IBGZPJMESA-N 1 2 344.480 3.580 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475642825 1029642509 /nfs/dbraw/zinc/64/25/09/1029642509.db2.gz VMOPSALVALDYGU-IBGZPJMESA-N 1 2 344.480 3.580 20 0 EHADLO Cc1cc(-c2ncccc2NC(=O)N[C@H](C)Cn2cc[nH+]c2)cs1 ZINC000446431643 1029643190 /nfs/dbraw/zinc/64/31/90/1029643190.db2.gz BPPZJLRARYVAMF-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO Cc1cc(Cl)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278207899 1029671189 /nfs/dbraw/zinc/67/11/89/1029671189.db2.gz WWVHCVYHBNXFBS-LSDHHAIUSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(Cl)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278207899 1029671190 /nfs/dbraw/zinc/67/11/90/1029671190.db2.gz WWVHCVYHBNXFBS-LSDHHAIUSA-N 1 2 333.819 3.624 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000126160181 1029675126 /nfs/dbraw/zinc/67/51/26/1029675126.db2.gz RKDMZBNHPZRXEJ-FFTXYWRCSA-N 1 2 327.403 3.535 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001142092040 1029679519 /nfs/dbraw/zinc/67/95/19/1029679519.db2.gz LPQYZLACPUVSNH-ZANVPECISA-N 1 2 348.643 3.852 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001142092040 1029679521 /nfs/dbraw/zinc/67/95/21/1029679521.db2.gz LPQYZLACPUVSNH-ZANVPECISA-N 1 2 348.643 3.852 20 0 EHADLO CC1(C)CCCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000446587102 1029712397 /nfs/dbraw/zinc/71/23/97/1029712397.db2.gz RVVOCFFJGKLOIV-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525328277 1029794908 /nfs/dbraw/zinc/79/49/08/1029794908.db2.gz IZKTUEKIEQURFC-GOEBONIOSA-N 1 2 334.891 3.878 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525328277 1029794920 /nfs/dbraw/zinc/79/49/20/1029794920.db2.gz IZKTUEKIEQURFC-GOEBONIOSA-N 1 2 334.891 3.878 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC2CCC2)cc1 ZINC000080322569 1029795736 /nfs/dbraw/zinc/79/57/36/1029795736.db2.gz IZHMMSGMYXTBPL-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000467516591 1029804074 /nfs/dbraw/zinc/80/40/74/1029804074.db2.gz MRRARARPKZZZLP-UHFFFAOYSA-N 1 2 327.325 3.889 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC000156337531 1029806997 /nfs/dbraw/zinc/80/69/97/1029806997.db2.gz VKEJGLPVGKRFBB-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC000156337531 1029807005 /nfs/dbraw/zinc/80/70/05/1029807005.db2.gz VKEJGLPVGKRFBB-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536022620 1029820313 /nfs/dbraw/zinc/82/03/13/1029820313.db2.gz SEWPESHEWSZCRP-HOTGVXAUSA-N 1 2 346.521 3.566 20 0 EHADLO Cc1csc2nc(C)nc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c12 ZINC000127073185 1029829023 /nfs/dbraw/zinc/82/90/23/1029829023.db2.gz XUKGFUNZBOLRGR-BXUZGUMPSA-N 1 2 327.457 3.592 20 0 EHADLO FC(F)n1ccc(CNc2[nH+]c3ccccc3n2-c2ccccc2)n1 ZINC000446912233 1029850873 /nfs/dbraw/zinc/85/08/73/1029850873.db2.gz XIAHGDOBYWCACS-UHFFFAOYSA-N 1 2 339.349 3.651 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)CCc1ccccn1 ZINC000525460667 1029857502 /nfs/dbraw/zinc/85/75/02/1029857502.db2.gz LHRWAMQPMLZWGV-UHFFFAOYSA-N 1 2 349.434 3.794 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC000533815508 1029861746 /nfs/dbraw/zinc/86/17/46/1029861746.db2.gz HVCFVNXPIXMDEM-CZUORRHYSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC000533815508 1029861755 /nfs/dbraw/zinc/86/17/55/1029861755.db2.gz HVCFVNXPIXMDEM-CZUORRHYSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC000533815509 1029862234 /nfs/dbraw/zinc/86/22/34/1029862234.db2.gz HVCFVNXPIXMDEM-XJKSGUPXSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC000533815509 1029862240 /nfs/dbraw/zinc/86/22/40/1029862240.db2.gz HVCFVNXPIXMDEM-XJKSGUPXSA-N 1 2 340.345 3.538 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc(C(F)(F)F)s1 ZINC000446960681 1029864976 /nfs/dbraw/zinc/86/49/76/1029864976.db2.gz ZTIDOGBAWCDTFJ-UHFFFAOYSA-N 1 2 340.374 3.956 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cnc(C(F)(F)F)s1 ZINC000446961011 1029865115 /nfs/dbraw/zinc/86/51/15/1029865115.db2.gz SYUMKUXGMKJLJM-UHFFFAOYSA-N 1 2 346.765 3.736 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808887 1029868305 /nfs/dbraw/zinc/86/83/05/1029868305.db2.gz NBZDRNXEFSAEGE-IAGOWNOFSA-N 1 2 335.517 3.544 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cnc(C(F)(F)F)s1 ZINC000446969839 1029875239 /nfs/dbraw/zinc/87/52/39/1029875239.db2.gz RAXLFERBLODEBS-UHFFFAOYSA-N 1 2 326.347 3.566 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000469997246 1029878234 /nfs/dbraw/zinc/87/82/34/1029878234.db2.gz XEGVLCBMIBZFPX-OAHLLOKOSA-N 1 2 325.456 3.544 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000428465646 1029890133 /nfs/dbraw/zinc/89/01/33/1029890133.db2.gz SQEBVZDMTHJUGF-GFCCVEGCSA-N 1 2 325.334 3.877 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000428465646 1029890138 /nfs/dbraw/zinc/89/01/38/1029890138.db2.gz SQEBVZDMTHJUGF-GFCCVEGCSA-N 1 2 325.334 3.877 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000127588654 1029926404 /nfs/dbraw/zinc/92/64/04/1029926404.db2.gz SODYVSUBDCDJEK-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000127588654 1029926410 /nfs/dbraw/zinc/92/64/10/1029926410.db2.gz SODYVSUBDCDJEK-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO CC[C@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000521446013 1029964425 /nfs/dbraw/zinc/96/44/25/1029964425.db2.gz NPVYSQBRVJKXBD-QGZVFWFLSA-N 1 2 346.519 3.629 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(F)cc1Cl ZINC000360935901 1030013734 /nfs/dbraw/zinc/01/37/34/1030013734.db2.gz LAHAIVWTRHWPLQ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CCN(Cc1ccccc1NCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000120548848 1030046091 /nfs/dbraw/zinc/04/60/91/1030046091.db2.gz CBBDPPSDTIWVGZ-UHFFFAOYSA-N 1 2 344.459 3.789 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000120666617 1030062764 /nfs/dbraw/zinc/06/27/64/1030062764.db2.gz MWKXTYWWXNOCBG-UHFFFAOYSA-N 1 2 336.382 3.571 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000120666617 1030062780 /nfs/dbraw/zinc/06/27/80/1030062780.db2.gz MWKXTYWWXNOCBG-UHFFFAOYSA-N 1 2 336.382 3.571 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000453310005 1030082507 /nfs/dbraw/zinc/08/25/07/1030082507.db2.gz QMDXGYYRZZTIKF-OAHLLOKOSA-N 1 2 334.261 3.658 20 0 EHADLO C[C@@H]1C[C@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000531948488 1030115578 /nfs/dbraw/zinc/11/55/78/1030115578.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948488 1030115589 /nfs/dbraw/zinc/11/55/89/1030115589.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948488 1030115595 /nfs/dbraw/zinc/11/55/95/1030115595.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000525782966 1030117845 /nfs/dbraw/zinc/11/78/45/1030117845.db2.gz LIZKWDOWRZCCAF-HNNXBMFYSA-N 1 2 340.492 3.863 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000525782966 1030117852 /nfs/dbraw/zinc/11/78/52/1030117852.db2.gz LIZKWDOWRZCCAF-HNNXBMFYSA-N 1 2 340.492 3.863 20 0 EHADLO Cc1ccsc1CCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000120833939 1030120980 /nfs/dbraw/zinc/12/09/80/1030120980.db2.gz MKLFYOGFRKJVDY-UHFFFAOYSA-N 1 2 331.485 3.783 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1F)Cc1cccc(C(F)(F)F)c1 ZINC000120938778 1030131390 /nfs/dbraw/zinc/13/13/90/1030131390.db2.gz UGTOPBOTAUPKJV-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1cccc(C(F)(F)F)c1 ZINC000120938778 1030131396 /nfs/dbraw/zinc/13/13/96/1030131396.db2.gz UGTOPBOTAUPKJV-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000453355021 1030150496 /nfs/dbraw/zinc/15/04/96/1030150496.db2.gz HENKMOZDWWEGDZ-NSHDSACASA-N 1 2 326.318 3.840 20 0 EHADLO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nnc(-c2cccs2)o1 ZINC000525834314 1030158856 /nfs/dbraw/zinc/15/88/56/1030158856.db2.gz ZMXCEDRDRGARIN-NHYWBVRUSA-N 1 2 326.425 3.995 20 0 EHADLO COc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000121043484 1030167394 /nfs/dbraw/zinc/16/73/94/1030167394.db2.gz WWQZTOMTBOBQSH-UHFFFAOYSA-N 1 2 347.462 3.693 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000657772809 1030244329 /nfs/dbraw/zinc/24/43/29/1030244329.db2.gz NWEOPHYMHAERBX-CQSZACIVSA-N 1 2 341.238 3.610 20 0 EHADLO CCCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000121349287 1030262122 /nfs/dbraw/zinc/26/21/22/1030262122.db2.gz LJHIOEZZXDZJFJ-UHFFFAOYSA-N 1 2 341.390 3.569 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCCC1CCCC1 ZINC000428488473 1030262293 /nfs/dbraw/zinc/26/22/93/1030262293.db2.gz SWXQPXQVEOWXLB-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO COC1CCC(CNc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000892346783 1030328968 /nfs/dbraw/zinc/32/89/68/1030328968.db2.gz KTOJMCBTSXFLCQ-UHFFFAOYSA-N 1 2 329.444 3.579 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000583639477 1030342753 /nfs/dbraw/zinc/34/27/53/1030342753.db2.gz ILVYRSCHWSGGGV-QGZVFWFLSA-N 1 2 339.483 3.768 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000583639477 1030342766 /nfs/dbraw/zinc/34/27/66/1030342766.db2.gz ILVYRSCHWSGGGV-QGZVFWFLSA-N 1 2 339.483 3.768 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)c(C(F)(F)F)n1 ZINC000092069187 1030368096 /nfs/dbraw/zinc/36/80/96/1030368096.db2.gz KHLFNUNNTVWPDG-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(C(F)(F)F)n1 ZINC000092069187 1030368113 /nfs/dbraw/zinc/36/81/13/1030368113.db2.gz KHLFNUNNTVWPDG-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO O=C1CCc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)c(F)cc2N1 ZINC000121860789 1030379543 /nfs/dbraw/zinc/37/95/43/1030379543.db2.gz DVDVFBSOPPHNHE-UHFFFAOYSA-N 1 2 336.370 3.508 20 0 EHADLO C[C@@H]1CCc2nc(CNc3ccc(N4CCCC4)c[nH+]3)sc2C1 ZINC000343345881 1030414709 /nfs/dbraw/zinc/41/47/09/1030414709.db2.gz FODWCFUSRNITHS-CYBMUJFWSA-N 1 2 328.485 3.875 20 0 EHADLO CC1(C)CCC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000151100003 1030433500 /nfs/dbraw/zinc/43/35/00/1030433500.db2.gz NCTJNZZQMSKWAC-UHFFFAOYSA-N 1 2 330.472 3.674 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000925253079 1030455387 /nfs/dbraw/zinc/45/53/87/1030455387.db2.gz CHCPRXJLFCOVEV-RDJZCZTQSA-N 1 2 328.460 3.951 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532198598 1030473089 /nfs/dbraw/zinc/47/30/89/1030473089.db2.gz DCLSMQITQIIXGD-KUHUBIRLSA-N 1 2 335.407 3.589 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000157380044 1030474622 /nfs/dbraw/zinc/47/46/22/1030474622.db2.gz HWNXRGSUUAUEBB-LBPRGKRZSA-N 1 2 335.835 3.890 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1c(F)cccc1N1CCCC1 ZINC000092562743 1030477255 /nfs/dbraw/zinc/47/72/55/1030477255.db2.gz BHVVILBCZXIKQD-UHFFFAOYSA-N 1 2 332.419 3.668 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1c(F)cccc1N1CCCC1 ZINC000092562743 1030477261 /nfs/dbraw/zinc/47/72/61/1030477261.db2.gz BHVVILBCZXIKQD-UHFFFAOYSA-N 1 2 332.419 3.668 20 0 EHADLO O=C(CC/C=C\c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343357888 1030488740 /nfs/dbraw/zinc/48/87/40/1030488740.db2.gz FXHGFJLTCYBFIJ-YWEYNIOJSA-N 1 2 332.407 3.759 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cc2c(s1)CCC2 ZINC000532224331 1030489665 /nfs/dbraw/zinc/48/96/65/1030489665.db2.gz KHZGTMLEEHTJFT-QMMMGPOBSA-N 1 2 326.263 3.573 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)CC[S@@]1=O ZINC000482522175 1030497223 /nfs/dbraw/zinc/49/72/23/1030497223.db2.gz HJZSTXAIIPNWDL-QHCPKHFHSA-N 1 2 332.513 3.908 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)CC[S@@]1=O ZINC000482522175 1030497227 /nfs/dbraw/zinc/49/72/27/1030497227.db2.gz HJZSTXAIIPNWDL-QHCPKHFHSA-N 1 2 332.513 3.908 20 0 EHADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1cnc(C2CCC2)s1 ZINC000092784591 1030513197 /nfs/dbraw/zinc/51/31/97/1030513197.db2.gz ZIIMSIHDZDIHRL-UHFFFAOYSA-N 1 2 335.517 3.668 20 0 EHADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cnc(C2CCC2)s1 ZINC000092784591 1030513213 /nfs/dbraw/zinc/51/32/13/1030513213.db2.gz ZIIMSIHDZDIHRL-UHFFFAOYSA-N 1 2 335.517 3.668 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831216 1030519665 /nfs/dbraw/zinc/51/96/65/1030519665.db2.gz KOKBWKGSLWFILT-SPYBWZPUSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831216 1030519671 /nfs/dbraw/zinc/51/96/71/1030519671.db2.gz KOKBWKGSLWFILT-SPYBWZPUSA-N 1 2 344.480 3.578 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343366770 1030524152 /nfs/dbraw/zinc/52/41/52/1030524152.db2.gz OUJWFFSVDDRXDX-RQOWECAXSA-N 1 2 336.370 3.508 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)cc2o1 ZINC000526975946 1030532239 /nfs/dbraw/zinc/53/22/39/1030532239.db2.gz VOYPQYGQFLUDDT-LBPRGKRZSA-N 1 2 338.411 3.726 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)cc2o1 ZINC000526975946 1030532254 /nfs/dbraw/zinc/53/22/54/1030532254.db2.gz VOYPQYGQFLUDDT-LBPRGKRZSA-N 1 2 338.411 3.726 20 0 EHADLO CC(C)c1nc2cc(NC(=O)N(C)CCCn3cc[nH+]c3)ccc2o1 ZINC000532280937 1030533202 /nfs/dbraw/zinc/53/32/02/1030533202.db2.gz IDIVFVHZRYAPSB-UHFFFAOYSA-N 1 2 341.415 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2ccccc2o1 ZINC000343372546 1030555866 /nfs/dbraw/zinc/55/58/66/1030555866.db2.gz YKTUHGLLORUYDX-AWEZNQCLSA-N 1 2 346.390 3.815 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3sccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000532345257 1030571876 /nfs/dbraw/zinc/57/18/76/1030571876.db2.gz DHAJKRHELMPNEJ-NWDGAFQWSA-N 1 2 331.466 3.883 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3sccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000532345256 1030572568 /nfs/dbraw/zinc/57/25/68/1030572568.db2.gz DHAJKRHELMPNEJ-NEPJUHHUSA-N 1 2 331.466 3.883 20 0 EHADLO CC(C)N1CCC[C@@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000447891430 1030572909 /nfs/dbraw/zinc/57/29/09/1030572909.db2.gz QIRIAKZWJBQUEN-CQSZACIVSA-N 1 2 341.282 3.972 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc[nH]c1C1CCC1)c1ccccc1 ZINC000685192298 1030581829 /nfs/dbraw/zinc/58/18/29/1030581829.db2.gz VLDXTGISFZAMKF-SFHVURJKSA-N 1 2 348.450 3.730 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2sccc2F)c(C)c1 ZINC000343383077 1030603476 /nfs/dbraw/zinc/60/34/76/1030603476.db2.gz MNJVQDVZWVNTSZ-INIZCTEOSA-N 1 2 343.427 3.872 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000093413402 1030608754 /nfs/dbraw/zinc/60/87/54/1030608754.db2.gz LTULBAABHVCGDN-TXPKVOOTSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000093413402 1030608769 /nfs/dbraw/zinc/60/87/69/1030608769.db2.gz LTULBAABHVCGDN-TXPKVOOTSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(N3CCC3=O)c2)n1-c1ccccc1 ZINC000447970447 1030615399 /nfs/dbraw/zinc/61/53/99/1030615399.db2.gz DMNFSHZXSIIZAE-UHFFFAOYSA-N 1 2 332.407 3.530 20 0 EHADLO C[C@@H](C[N@@H+]1CCC[C@@H]1c1nncn1C)c1cccc(Br)c1 ZINC000093810378 1030681365 /nfs/dbraw/zinc/68/13/65/1030681365.db2.gz MLVYPCFBMXDESJ-SWLSCSKDSA-N 1 2 349.276 3.518 20 0 EHADLO C[C@@H](C[N@H+]1CCC[C@@H]1c1nncn1C)c1cccc(Br)c1 ZINC000093810378 1030681376 /nfs/dbraw/zinc/68/13/76/1030681376.db2.gz MLVYPCFBMXDESJ-SWLSCSKDSA-N 1 2 349.276 3.518 20 0 EHADLO Fc1ccc(NC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000170651264 1030692217 /nfs/dbraw/zinc/69/22/17/1030692217.db2.gz GUBYIJNEYXWFRU-UHFFFAOYSA-N 1 2 342.374 3.545 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000343403360 1030715424 /nfs/dbraw/zinc/71/54/24/1030715424.db2.gz NCWBJZQGPIGLLW-SJKOYZFVSA-N 1 2 333.407 3.856 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3[nH]ccc3c2)c1C ZINC000171386853 1030737778 /nfs/dbraw/zinc/73/77/78/1030737778.db2.gz NICFUHKZOLXVJO-UHFFFAOYSA-N 1 2 338.411 3.852 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc2[nH]ccc21 ZINC000171390559 1030758276 /nfs/dbraw/zinc/75/82/76/1030758276.db2.gz JLSKPHYEHVECGR-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000476645577 1030765991 /nfs/dbraw/zinc/76/59/91/1030765991.db2.gz PFICUAKCLXCBST-PPHDSNJXSA-N 1 2 347.409 3.660 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635230127 1030790637 /nfs/dbraw/zinc/79/06/37/1030790637.db2.gz BLPYAGBWXJLPJU-ZLKJLUDKSA-N 1 2 337.345 3.752 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635230127 1030790660 /nfs/dbraw/zinc/79/06/60/1030790660.db2.gz BLPYAGBWXJLPJU-ZLKJLUDKSA-N 1 2 337.345 3.752 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000171590380 1030797363 /nfs/dbraw/zinc/79/73/63/1030797363.db2.gz SEJRXLZHLATLGN-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000171590380 1030797370 /nfs/dbraw/zinc/79/73/70/1030797370.db2.gz SEJRXLZHLATLGN-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1ccccc1[C@@H](C)N(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635231777 1030802519 /nfs/dbraw/zinc/80/25/19/1030802519.db2.gz ILSDMLYWAIPLHP-HIFRSBDPSA-N 1 2 339.361 3.905 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(F)cc2Cl)c2cnn[nH]2)cc1 ZINC000550940243 1030809605 /nfs/dbraw/zinc/80/96/05/1030809605.db2.gz KFECEQGYENHOLQ-KRWDZBQOSA-N 1 2 348.784 3.658 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(F)cc2Cl)c2cn[nH]n2)cc1 ZINC000550940243 1030809631 /nfs/dbraw/zinc/80/96/31/1030809631.db2.gz KFECEQGYENHOLQ-KRWDZBQOSA-N 1 2 348.784 3.658 20 0 EHADLO COc1cccc(C2(c3noc([C@H]4CC[N@@H+]4C4CCCC4)n3)CC2)c1 ZINC000924068071 1030815551 /nfs/dbraw/zinc/81/55/51/1030815551.db2.gz GQUVDYPUYLZPSG-QGZVFWFLSA-N 1 2 339.439 3.848 20 0 EHADLO COc1cccc(C2(c3noc([C@H]4CC[N@H+]4C4CCCC4)n3)CC2)c1 ZINC000924068071 1030815574 /nfs/dbraw/zinc/81/55/74/1030815574.db2.gz GQUVDYPUYLZPSG-QGZVFWFLSA-N 1 2 339.439 3.848 20 0 EHADLO CCOc1ccc(C2=CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000583815643 1030827219 /nfs/dbraw/zinc/82/72/19/1030827219.db2.gz UZLNWCMFTPGVAA-MRXNPFEDSA-N 1 2 339.439 3.549 20 0 EHADLO CN(CCc1ccc(Cl)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172078489 1030830290 /nfs/dbraw/zinc/83/02/90/1030830290.db2.gz XJESJZKZDKFEJT-UHFFFAOYSA-N 1 2 339.826 3.840 20 0 EHADLO CC(C)c1nc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c2ccccn21 ZINC000550960837 1030832758 /nfs/dbraw/zinc/83/27/58/1030832758.db2.gz OQXGPVWSHVNZNQ-NRFANRHFSA-N 1 2 348.494 3.946 20 0 EHADLO CC(C)c1nc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ccccn21 ZINC000550960837 1030832788 /nfs/dbraw/zinc/83/27/88/1030832788.db2.gz OQXGPVWSHVNZNQ-NRFANRHFSA-N 1 2 348.494 3.946 20 0 EHADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172106576 1030834271 /nfs/dbraw/zinc/83/42/71/1030834271.db2.gz QDPNIJINSYZHHA-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1ccccc1-n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172010872 1030862223 /nfs/dbraw/zinc/86/22/23/1030862223.db2.gz NIHUSGQBHRWUID-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COC[C@H](CC1CCOCC1)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000668183692 1030887567 /nfs/dbraw/zinc/88/75/67/1030887567.db2.gz MLUAYQGOSPDCGU-IBGZPJMESA-N 1 2 343.471 3.733 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(C)[nH+]1 ZINC000097214065 1030906859 /nfs/dbraw/zinc/90/68/59/1030906859.db2.gz PJYBGNNSKOBMSZ-GOSISDBHSA-N 1 2 340.423 3.817 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000483036940 1030919893 /nfs/dbraw/zinc/91/98/93/1030919893.db2.gz PPJSJZWGSOTCIH-WMZOPIPTSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@](C)(OC)CC1 ZINC000483036940 1030919910 /nfs/dbraw/zinc/91/99/10/1030919910.db2.gz PPJSJZWGSOTCIH-WMZOPIPTSA-N 1 2 339.863 3.835 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)C2CC2)o1 ZINC000097492046 1030933767 /nfs/dbraw/zinc/93/37/67/1030933767.db2.gz JHVFKPWIOWPOKS-HNNXBMFYSA-N 1 2 344.430 3.911 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)C2CC2)o1 ZINC000097492046 1030933789 /nfs/dbraw/zinc/93/37/89/1030933789.db2.gz JHVFKPWIOWPOKS-HNNXBMFYSA-N 1 2 344.430 3.911 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(Cl)cc2)Cc2ccccc2C1 ZINC001168150170 1030935052 /nfs/dbraw/zinc/93/50/52/1030935052.db2.gz RRFINRFXFKDPIL-AWEZNQCLSA-N 1 2 343.854 3.571 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506150 1030936248 /nfs/dbraw/zinc/93/62/48/1030936248.db2.gz ANBSOQGQDKKJHG-PVAVHDDUSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506150 1030936260 /nfs/dbraw/zinc/93/62/60/1030936260.db2.gz ANBSOQGQDKKJHG-PVAVHDDUSA-N 1 2 348.512 3.964 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)NCCCNc2cccc[nH+]2)c1C ZINC000115800584 1030937033 /nfs/dbraw/zinc/93/70/33/1030937033.db2.gz UDZYUWICXURPRZ-INIZCTEOSA-N 1 2 326.444 3.561 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c(Br)c(C)nn2C)CCS1 ZINC000448335346 1030972377 /nfs/dbraw/zinc/97/23/77/1030972377.db2.gz QTNPXCJQKKPWCP-UHFFFAOYSA-N 1 2 346.338 3.599 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c(Br)c(C)nn2C)CCS1 ZINC000448335346 1030972390 /nfs/dbraw/zinc/97/23/90/1030972390.db2.gz QTNPXCJQKKPWCP-UHFFFAOYSA-N 1 2 346.338 3.599 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527528529 1030974360 /nfs/dbraw/zinc/97/43/60/1030974360.db2.gz XJRAZIOVKDZDCA-NSHDSACASA-N 1 2 347.846 3.939 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527528529 1030974366 /nfs/dbraw/zinc/97/43/66/1030974366.db2.gz XJRAZIOVKDZDCA-NSHDSACASA-N 1 2 347.846 3.939 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC2(CCOCC2)O1 ZINC000448371397 1031002895 /nfs/dbraw/zinc/00/28/95/1031002895.db2.gz MVFRIYDUZVWIIR-LLVKDONJSA-N 1 2 335.391 3.537 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC2(CCOCC2)O1 ZINC000448371397 1031002910 /nfs/dbraw/zinc/00/29/10/1031002910.db2.gz MVFRIYDUZVWIIR-LLVKDONJSA-N 1 2 335.391 3.537 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000448370979 1031003979 /nfs/dbraw/zinc/00/39/79/1031003979.db2.gz BSYWFRVJUMZRBS-PMUMKWKESA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000448370979 1031003996 /nfs/dbraw/zinc/00/39/96/1031003996.db2.gz BSYWFRVJUMZRBS-PMUMKWKESA-N 1 2 339.863 3.507 20 0 EHADLO FC(F)(F)COc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cn1 ZINC000483226950 1031038265 /nfs/dbraw/zinc/03/82/65/1031038265.db2.gz IZPQQNDYXPVCPV-UHFFFAOYSA-N 1 2 344.377 3.558 20 0 EHADLO FC(F)(F)COc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cn1 ZINC000483226950 1031038278 /nfs/dbraw/zinc/03/82/78/1031038278.db2.gz IZPQQNDYXPVCPV-UHFFFAOYSA-N 1 2 344.377 3.558 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1ccccc1F ZINC000123275459 1031052029 /nfs/dbraw/zinc/05/20/29/1031052029.db2.gz JABATEKVRPDKOO-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1ccccc1F ZINC000123275459 1031052043 /nfs/dbraw/zinc/05/20/43/1031052043.db2.gz JABATEKVRPDKOO-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000173145529 1031053399 /nfs/dbraw/zinc/05/33/99/1031053399.db2.gz UTFKPTWOGOSJDT-DENIHFKCSA-N 1 2 349.478 3.684 20 0 EHADLO FC(F)(F)c1sccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000527645329 1031073442 /nfs/dbraw/zinc/07/34/42/1031073442.db2.gz YFEUMXTZNXIXQC-UHFFFAOYSA-N 1 2 327.375 3.796 20 0 EHADLO CC(C)[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000173505039 1031104897 /nfs/dbraw/zinc/10/48/97/1031104897.db2.gz LTMPDIAZBRZVOH-FQEVSTJZSA-N 1 2 337.467 3.606 20 0 EHADLO CCOc1cc(C)ccc1C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527672466 1031105091 /nfs/dbraw/zinc/10/50/91/1031105091.db2.gz IVLLCFQGDVYFAB-UHFFFAOYSA-N 1 2 342.468 3.541 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173937849 1031134446 /nfs/dbraw/zinc/13/44/46/1031134446.db2.gz NHQZSKCAUVATHI-KBPBESRZSA-N 1 2 338.411 3.865 20 0 EHADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ncc(Br)cc1F ZINC000527708461 1031142320 /nfs/dbraw/zinc/14/23/20/1031142320.db2.gz IDONNSUAWWAFMN-RFAUZJTJSA-N 1 2 337.192 3.595 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000173896271 1031153721 /nfs/dbraw/zinc/15/37/21/1031153721.db2.gz MBLUVZVGGVYGCZ-RHSMWYFYSA-N 1 2 344.459 3.570 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000173896271 1031153728 /nfs/dbraw/zinc/15/37/28/1031153728.db2.gz MBLUVZVGGVYGCZ-RHSMWYFYSA-N 1 2 344.459 3.570 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000174074331 1031163412 /nfs/dbraw/zinc/16/34/12/1031163412.db2.gz BXVDCDNSIGSFHD-MAUKXSAKSA-N 1 2 347.418 3.798 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000448523856 1031196798 /nfs/dbraw/zinc/19/67/98/1031196798.db2.gz BOIBCQQEOXQQAQ-UHFFFAOYSA-N 1 2 344.430 3.965 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000448523856 1031196801 /nfs/dbraw/zinc/19/68/01/1031196801.db2.gz BOIBCQQEOXQQAQ-UHFFFAOYSA-N 1 2 344.430 3.965 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C(F)F)CC1 ZINC000483530838 1031201266 /nfs/dbraw/zinc/20/12/66/1031201266.db2.gz RYJHFOMOCFNTPJ-SECBINFHSA-N 1 2 334.769 3.783 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCO[C@@H]3CCCC[C@@H]3C)CCO2)c1 ZINC000483518049 1031206506 /nfs/dbraw/zinc/20/65/06/1031206506.db2.gz HLRVOYMDPCDLSB-DBVUQKKJSA-N 1 2 333.472 3.664 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCO[C@@H]3CCCC[C@@H]3C)CCO2)c1 ZINC000483518049 1031206520 /nfs/dbraw/zinc/20/65/20/1031206520.db2.gz HLRVOYMDPCDLSB-DBVUQKKJSA-N 1 2 333.472 3.664 20 0 EHADLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000536170007 1031212078 /nfs/dbraw/zinc/21/20/78/1031212078.db2.gz QQANIOZVYQLNOI-UHFFFAOYSA-N 1 2 338.398 3.905 20 0 EHADLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000536170007 1031212087 /nfs/dbraw/zinc/21/20/87/1031212087.db2.gz QQANIOZVYQLNOI-UHFFFAOYSA-N 1 2 338.398 3.905 20 0 EHADLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000483541038 1031212514 /nfs/dbraw/zinc/21/25/14/1031212514.db2.gz GZYLEBJPJMFYOX-UHFFFAOYSA-N 1 2 336.304 3.621 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c1 ZINC000483542991 1031212621 /nfs/dbraw/zinc/21/26/21/1031212621.db2.gz XNNGSDACAYMJNO-UHFFFAOYSA-N 1 2 339.414 3.906 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477064104 1031229358 /nfs/dbraw/zinc/22/93/58/1031229358.db2.gz BATYWVKBTUNGGE-HNNXBMFYSA-N 1 2 338.451 3.752 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477064104 1031229372 /nfs/dbraw/zinc/22/93/72/1031229372.db2.gz BATYWVKBTUNGGE-HNNXBMFYSA-N 1 2 338.451 3.752 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)CCCC(F)(F)F)C2 ZINC000477088335 1031233392 /nfs/dbraw/zinc/23/33/92/1031233392.db2.gz NBKPVUDOBNAKPT-RYUDHWBXSA-N 1 2 345.409 3.875 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CCCC(F)(F)F)CC2 ZINC000477088335 1031233409 /nfs/dbraw/zinc/23/34/09/1031233409.db2.gz NBKPVUDOBNAKPT-RYUDHWBXSA-N 1 2 345.409 3.875 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H](c3ccccn3)C3CCC3)n2)c1 ZINC000527772454 1031235117 /nfs/dbraw/zinc/23/51/17/1031235117.db2.gz ONQXKIMHAGNFMO-OAQYLSRUSA-N 1 2 347.466 3.910 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174666384 1031240174 /nfs/dbraw/zinc/24/01/74/1031240174.db2.gz NXYGOXCFUCJRDP-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO COC(=O)[C@@H]1Cc2cccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2C1 ZINC001213091883 1031279586 /nfs/dbraw/zinc/27/95/86/1031279586.db2.gz PTRLFIFDYMOUAN-OAHLLOKOSA-N 1 2 333.391 3.708 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000175394579 1031300888 /nfs/dbraw/zinc/30/08/88/1031300888.db2.gz NYDGRBGITADPHK-JCQPUDPBSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000175394579 1031300906 /nfs/dbraw/zinc/30/09/06/1031300906.db2.gz NYDGRBGITADPHK-JCQPUDPBSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000175510341 1031342767 /nfs/dbraw/zinc/34/27/67/1031342767.db2.gz NPBJXEULAKYPGB-LBPRGKRZSA-N 1 2 349.887 3.685 20 0 EHADLO CCCCOCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000347346301 1031349473 /nfs/dbraw/zinc/34/94/73/1031349473.db2.gz TZLADJCCPXZKRB-GFCCVEGCSA-N 1 2 335.370 3.518 20 0 EHADLO CCCCOCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000347346301 1031349489 /nfs/dbraw/zinc/34/94/89/1031349489.db2.gz TZLADJCCPXZKRB-GFCCVEGCSA-N 1 2 335.370 3.518 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527869050 1031353647 /nfs/dbraw/zinc/35/36/47/1031353647.db2.gz ZVYNSPBRICYXNK-DOTOQJQBSA-N 1 2 325.456 3.756 20 0 EHADLO COc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC000082740715 1031423666 /nfs/dbraw/zinc/42/36/66/1031423666.db2.gz SQHJXKFUNABFLY-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO COc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC000082740715 1031423681 /nfs/dbraw/zinc/42/36/81/1031423681.db2.gz SQHJXKFUNABFLY-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)cc1Cl ZINC000483997116 1031425538 /nfs/dbraw/zinc/42/55/38/1031425538.db2.gz XIWIAWNKDAQOJE-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)cc1Cl ZINC000483997116 1031425550 /nfs/dbraw/zinc/42/55/50/1031425550.db2.gz XIWIAWNKDAQOJE-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000551535792 1031434415 /nfs/dbraw/zinc/43/44/15/1031434415.db2.gz JGYPUGMZKFXDOX-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1=C(c2ccccc2)CCCC1 ZINC000448670927 1031445273 /nfs/dbraw/zinc/44/52/73/1031445273.db2.gz LGJVMLSPOCNQRR-UHFFFAOYSA-N 1 2 349.478 3.906 20 0 EHADLO CCc1c2ccccc2oc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000448671062 1031445924 /nfs/dbraw/zinc/44/59/24/1031445924.db2.gz MZXXTFFVUZWGFQ-UHFFFAOYSA-N 1 2 337.423 3.501 20 0 EHADLO CCN(C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1)CC(F)(F)F ZINC000527914065 1031448612 /nfs/dbraw/zinc/44/86/12/1031448612.db2.gz QCDXBELBVOCMRI-AWEZNQCLSA-N 1 2 337.389 3.945 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)nc3C)n2)ccc1F ZINC000278585765 1031513509 /nfs/dbraw/zinc/51/35/09/1031513509.db2.gz HSLWHZOQJRCERF-LBPRGKRZSA-N 1 2 344.365 3.877 20 0 EHADLO COc1ccc(Cl)cc1C[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083944348 1031537860 /nfs/dbraw/zinc/53/78/60/1031537860.db2.gz FTIQRUOPBHWGLN-QHCPKHFHSA-N 1 2 348.855 3.754 20 0 EHADLO Cc1ccccc1-c1nsc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000527992637 1031551674 /nfs/dbraw/zinc/55/16/74/1031551674.db2.gz YZDQFHJXURFZPR-OAHLLOKOSA-N 1 2 338.436 3.566 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000343604804 1031610000 /nfs/dbraw/zinc/61/00/00/1031610000.db2.gz NTPGLQOJJQBSBD-UHFFFAOYSA-N 1 2 349.482 3.825 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000343604804 1031610009 /nfs/dbraw/zinc/61/00/09/1031610009.db2.gz NTPGLQOJJQBSBD-UHFFFAOYSA-N 1 2 349.482 3.825 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000178072350 1031618624 /nfs/dbraw/zinc/61/86/24/1031618624.db2.gz NWSMPRSBTQFWFG-UHFFFAOYSA-N 1 2 344.418 3.624 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1nnc2n1CCCC2 ZINC000178076176 1031621110 /nfs/dbraw/zinc/62/11/10/1031621110.db2.gz QIWAIPSUFOEJTK-RISCZKNCSA-N 1 2 332.448 3.641 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000472309979 1031641834 /nfs/dbraw/zinc/64/18/34/1031641834.db2.gz DQWHXKIMSJZUQL-QGZVFWFLSA-N 1 2 349.837 3.983 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000472309979 1031641839 /nfs/dbraw/zinc/64/18/39/1031641839.db2.gz DQWHXKIMSJZUQL-QGZVFWFLSA-N 1 2 349.837 3.983 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178223065 1031642598 /nfs/dbraw/zinc/64/25/98/1031642598.db2.gz GKLJLVRPQXWLEB-UHFFFAOYSA-N 1 2 344.802 3.708 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178471371 1031665961 /nfs/dbraw/zinc/66/59/61/1031665961.db2.gz TUWMYGGZDXWVKO-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000548817126 1031667694 /nfs/dbraw/zinc/66/76/94/1031667694.db2.gz SBCSONYJKUNKEY-HNNXBMFYSA-N 1 2 349.434 3.516 20 0 EHADLO C[C@@H]1CCN(c2nccc(Oc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000278621878 1031680655 /nfs/dbraw/zinc/68/06/55/1031680655.db2.gz GMKCORBIQJOPOL-NVXWUHKLSA-N 1 2 335.411 3.553 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)n2)CC1 ZINC000667018227 1031691111 /nfs/dbraw/zinc/69/11/11/1031691111.db2.gz LYMXQXVHZGYTPS-NUEKZKHPSA-N 1 2 333.501 3.750 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC000448836613 1031748147 /nfs/dbraw/zinc/74/81/47/1031748147.db2.gz QEOQEIZSDZMTHW-UHFFFAOYSA-N 1 2 343.858 3.792 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158944403 1031748978 /nfs/dbraw/zinc/74/89/78/1031748978.db2.gz GBPGJDNNKONBCZ-RHSMWYFYSA-N 1 2 344.842 3.594 20 0 EHADLO Cc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000584116879 1031750306 /nfs/dbraw/zinc/75/03/06/1031750306.db2.gz NOQGXLSNTMCQFN-LLVKDONJSA-N 1 2 341.333 3.722 20 0 EHADLO c1nn2ccccc2c1CNc1[nH+]cccc1OCc1ccccc1 ZINC000343639824 1031754263 /nfs/dbraw/zinc/75/42/63/1031754263.db2.gz XLOOOLRSRIPEDK-UHFFFAOYSA-N 1 2 330.391 3.920 20 0 EHADLO [NH3+][C@H](c1nc(CC2CCCC2)no1)c1ccccc1C(F)(F)F ZINC000904121721 1031757661 /nfs/dbraw/zinc/75/76/61/1031757661.db2.gz VIWDBXBELSZCLO-AWEZNQCLSA-N 1 2 325.334 3.869 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1C1CC1 ZINC000528136458 1031761898 /nfs/dbraw/zinc/76/18/98/1031761898.db2.gz BIQXZUMUVFELMM-AVRGHOLYSA-N 1 2 333.501 3.606 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1C1CC1 ZINC000528136458 1031761914 /nfs/dbraw/zinc/76/19/14/1031761914.db2.gz BIQXZUMUVFELMM-AVRGHOLYSA-N 1 2 333.501 3.606 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2nccnc2-c2ccccc2)c1C ZINC000685269000 1031775499 /nfs/dbraw/zinc/77/54/99/1031775499.db2.gz HABBCUCGCFPVSL-UHFFFAOYSA-N 1 2 334.423 3.800 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179495646 1031777905 /nfs/dbraw/zinc/77/79/05/1031777905.db2.gz LGDQSIRJYOEZSK-CYBMUJFWSA-N 1 2 331.489 3.642 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179495646 1031777921 /nfs/dbraw/zinc/77/79/21/1031777921.db2.gz LGDQSIRJYOEZSK-CYBMUJFWSA-N 1 2 331.489 3.642 20 0 EHADLO COc1c(Cl)cccc1-c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000904184947 1031807897 /nfs/dbraw/zinc/80/78/97/1031807897.db2.gz KCCLPPZRNADCLO-UHFFFAOYSA-N 1 2 344.802 3.522 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000484643451 1031833123 /nfs/dbraw/zinc/83/31/23/1031833123.db2.gz XHMVFRGDWOAWHA-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000635504743 1031837365 /nfs/dbraw/zinc/83/73/65/1031837365.db2.gz UORCPKWRDAYGPD-KGLIPLIRSA-N 1 2 327.428 3.617 20 0 EHADLO FC(F)(F)c1cccc2c1CCN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000528188171 1031865280 /nfs/dbraw/zinc/86/52/80/1031865280.db2.gz ZVFBXSDZRYDQQR-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO FC(F)(F)c1cccc2c1CCN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000528188171 1031865289 /nfs/dbraw/zinc/86/52/89/1031865289.db2.gz ZVFBXSDZRYDQQR-UHFFFAOYSA-N 1 2 348.372 3.658 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cnn1C ZINC000180322314 1031876083 /nfs/dbraw/zinc/87/60/83/1031876083.db2.gz IWHHNLKVMXPPCX-YWZLYKJASA-N 1 2 348.450 3.759 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)cs3)CC2)c1 ZINC000448915936 1031884701 /nfs/dbraw/zinc/88/47/01/1031884701.db2.gz WYAVKACWAKSUIK-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccccc1Cl ZINC000180595500 1031889425 /nfs/dbraw/zinc/88/94/25/1031889425.db2.gz LYYUGALSRMKWEX-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccccc1Cl ZINC000180595500 1031889444 /nfs/dbraw/zinc/88/94/44/1031889444.db2.gz LYYUGALSRMKWEX-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159160622 1031916698 /nfs/dbraw/zinc/91/66/98/1031916698.db2.gz ZYJMVAANIAZZQQ-INIZCTEOSA-N 1 2 344.459 3.908 20 0 EHADLO CCO[C@H](C)c1nc(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cs1 ZINC000343687630 1031950505 /nfs/dbraw/zinc/95/05/05/1031950505.db2.gz KMAASJKBVDRAAF-SNVBAGLBSA-N 1 2 344.440 3.607 20 0 EHADLO C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccnn1C ZINC000278680702 1031969430 /nfs/dbraw/zinc/96/94/30/1031969430.db2.gz JWQCBMCNCMFHDB-AWEZNQCLSA-N 1 2 326.469 3.513 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccn2C2CCCC2)c1C ZINC000181151797 1031988917 /nfs/dbraw/zinc/98/89/17/1031988917.db2.gz TUHHPZMBGSNIHW-UHFFFAOYSA-N 1 2 341.455 3.896 20 0 EHADLO Cc1ccc(Br)c(F)c1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391711 1032000032 /nfs/dbraw/zinc/00/00/32/1032000032.db2.gz YLZJFOYEIQPXRU-UHFFFAOYSA-N 1 2 339.208 3.629 20 0 EHADLO Cc1ccc(Br)c(F)c1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391711 1032000037 /nfs/dbraw/zinc/00/00/37/1032000037.db2.gz YLZJFOYEIQPXRU-UHFFFAOYSA-N 1 2 339.208 3.629 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N[C@H]3C[C@@H]3C(F)F)c12 ZINC000584249308 1032018230 /nfs/dbraw/zinc/01/82/30/1032018230.db2.gz FWQICVZGAKQVNO-WKEGUHRASA-N 1 2 331.135 3.624 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C)cs2)c(Br)c1 ZINC000285332636 1032029478 /nfs/dbraw/zinc/02/94/78/1032029478.db2.gz BZUQBEJYBUQPNK-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1c(Cl)cccc1N1CCCC1 ZINC000897392172 1032041519 /nfs/dbraw/zinc/04/15/19/1032041519.db2.gz PYVMFWCFSJEWOE-UHFFFAOYSA-N 1 2 331.847 3.673 20 0 EHADLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1c(Cl)cccc1N1CCCC1 ZINC000897392172 1032041534 /nfs/dbraw/zinc/04/15/34/1032041534.db2.gz PYVMFWCFSJEWOE-UHFFFAOYSA-N 1 2 331.847 3.673 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000449006397 1032042745 /nfs/dbraw/zinc/04/27/45/1032042745.db2.gz FKMFZWIRDDHMCH-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000449006397 1032042759 /nfs/dbraw/zinc/04/27/59/1032042759.db2.gz FKMFZWIRDDHMCH-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000529039051 1033306570 /nfs/dbraw/zinc/30/65/70/1033306570.db2.gz HMNNOOAZONIMRM-CABCVRRESA-N 1 2 332.469 3.740 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2cnccc2c1 ZINC000685436315 1033324570 /nfs/dbraw/zinc/32/45/70/1033324570.db2.gz YVZKLHREDQCDJD-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2cnccc2c1 ZINC000685436315 1033324584 /nfs/dbraw/zinc/32/45/84/1033324584.db2.gz YVZKLHREDQCDJD-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000574622747 1033326015 /nfs/dbraw/zinc/32/60/15/1033326015.db2.gz QJPKAXAIXFBRPT-ZDUSSCGKSA-N 1 2 332.473 3.736 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000574622747 1033326033 /nfs/dbraw/zinc/32/60/33/1033326033.db2.gz QJPKAXAIXFBRPT-ZDUSSCGKSA-N 1 2 332.473 3.736 20 0 EHADLO C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537487722 1033333118 /nfs/dbraw/zinc/33/31/18/1033333118.db2.gz YMTJERJGYYCKOH-OAHLLOKOSA-N 1 2 330.395 3.626 20 0 EHADLO CSCCc1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000603102999 1033368145 /nfs/dbraw/zinc/36/81/45/1033368145.db2.gz QBHAULSCAURBDX-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@H]1F ZINC000898188734 1033386455 /nfs/dbraw/zinc/38/64/55/1033386455.db2.gz OQAZXDQKNIIBRE-MOPGFXCFSA-N 1 2 343.446 3.570 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@H]1F ZINC000898188734 1033386468 /nfs/dbraw/zinc/38/64/68/1033386468.db2.gz OQAZXDQKNIIBRE-MOPGFXCFSA-N 1 2 343.446 3.570 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000171755616 1033414490 /nfs/dbraw/zinc/41/44/90/1033414490.db2.gz GGRLNBLFWVJPKL-SFHVURJKSA-N 1 2 337.448 3.602 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1cc(C)no1 ZINC000151946458 1033434679 /nfs/dbraw/zinc/43/46/79/1033434679.db2.gz ZGTGEMGMZLVSPG-UHFFFAOYSA-N 1 2 325.368 3.628 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccnc2C(F)F)n1 ZINC000898312825 1033450041 /nfs/dbraw/zinc/45/00/41/1033450041.db2.gz OEUSYNRVXXIRFL-UHFFFAOYSA-N 1 2 340.399 3.570 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000594616981 1033466239 /nfs/dbraw/zinc/46/62/39/1033466239.db2.gz ZGCINOREUXEDMQ-FHWLQOOXSA-N 1 2 344.499 3.893 20 0 EHADLO C[C@@H](CC1CCCC1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616931 1033466954 /nfs/dbraw/zinc/46/69/54/1033466954.db2.gz XXNKAQSTNNBVIZ-MAUKXSAKSA-N 1 2 332.488 3.893 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)C3CCC(C)(C)CC3)[nH+]c12 ZINC000131119440 1033497543 /nfs/dbraw/zinc/49/75/43/1033497543.db2.gz GUIPKTJAKUCBHS-UHFFFAOYSA-N 1 2 342.487 3.795 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000460341163 1033512898 /nfs/dbraw/zinc/51/28/98/1033512898.db2.gz XPZAWRCBQSZNJX-WDEREUQCSA-N 1 2 329.762 3.869 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000608206371 1033542771 /nfs/dbraw/zinc/54/27/71/1033542771.db2.gz WLAKIBQMXBPFDO-LJQANCHMSA-N 1 2 344.418 3.615 20 0 EHADLO Cn1ccc2ccc(NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000173817054 1033551764 /nfs/dbraw/zinc/55/17/64/1033551764.db2.gz BNSKMOXLUOKXOM-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000106240905 1033559305 /nfs/dbraw/zinc/55/93/05/1033559305.db2.gz KUDSWVWHHCVPSX-IJEWVQPXSA-N 1 2 331.485 3.840 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685565209 1033570450 /nfs/dbraw/zinc/57/04/50/1033570450.db2.gz LFPTVLFCDXSJNB-GOSISDBHSA-N 1 2 349.425 3.839 20 0 EHADLO Clc1ccc2c(ccn2CC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000685564905 1033571524 /nfs/dbraw/zinc/57/15/24/1033571524.db2.gz UHMCJJBGYYSSCR-KRWDZBQOSA-N 1 2 330.815 3.961 20 0 EHADLO Clc1ccc2c(ccn2CC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000685564905 1033571532 /nfs/dbraw/zinc/57/15/32/1033571532.db2.gz UHMCJJBGYYSSCR-KRWDZBQOSA-N 1 2 330.815 3.961 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1c1cccc(F)c1 ZINC000472343445 1033578000 /nfs/dbraw/zinc/57/80/00/1033578000.db2.gz AIAGJTVQUMLAEY-BMIGLBTASA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1c1cccc(F)c1 ZINC000472343445 1033578014 /nfs/dbraw/zinc/57/80/14/1033578014.db2.gz AIAGJTVQUMLAEY-BMIGLBTASA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762809 1033584297 /nfs/dbraw/zinc/58/42/97/1033584297.db2.gz RZKVTRZRYDPGEX-ZOCIIQOWSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762809 1033584304 /nfs/dbraw/zinc/58/43/04/1033584304.db2.gz RZKVTRZRYDPGEX-ZOCIIQOWSA-N 1 2 331.843 3.835 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCCCc1ccccc1 ZINC000685575571 1033585748 /nfs/dbraw/zinc/58/57/48/1033585748.db2.gz KYXIEMNELAXWBM-UHFFFAOYSA-N 1 2 347.462 3.613 20 0 EHADLO CCc1cccc2cc(C[NH2+]C(C)(C)c3cc(C(=O)OC)on3)oc21 ZINC000594959796 1033600409 /nfs/dbraw/zinc/60/04/09/1033600409.db2.gz XNABEFNRZLLMBZ-UHFFFAOYSA-N 1 2 342.395 3.795 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450058623 1033646945 /nfs/dbraw/zinc/64/69/45/1033646945.db2.gz DDOSEBSYVJALJV-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450058623 1033646953 /nfs/dbraw/zinc/64/69/53/1033646953.db2.gz DDOSEBSYVJALJV-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000608388393 1033666947 /nfs/dbraw/zinc/66/69/47/1033666947.db2.gz JDWPHCOLSYOQON-QFBILLFUSA-N 1 2 348.450 3.764 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(C)CC=CCC1 ZINC000450051769 1033669751 /nfs/dbraw/zinc/66/97/51/1033669751.db2.gz XPJZMPVEBOMNBB-NRFANRHFSA-N 1 2 341.499 3.893 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1C ZINC000608410748 1033697639 /nfs/dbraw/zinc/69/76/39/1033697639.db2.gz RHVAVSXORTZSOO-IBGZPJMESA-N 1 2 340.471 3.827 20 0 EHADLO CCc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000063790353 1033700800 /nfs/dbraw/zinc/70/08/00/1033700800.db2.gz WMIVJHDHGOIBCE-UHFFFAOYSA-N 1 2 336.464 3.921 20 0 EHADLO C[C@@H](NC(=S)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000063790347 1033700836 /nfs/dbraw/zinc/70/08/36/1033700836.db2.gz LFUXMMNAGIRHJG-OAHLLOKOSA-N 1 2 336.464 3.598 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000101543560 1033762698 /nfs/dbraw/zinc/76/26/98/1033762698.db2.gz UFRNQRVWKIBVQL-UHFFFAOYSA-N 1 2 325.437 3.887 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000101543560 1033762708 /nfs/dbraw/zinc/76/27/08/1033762708.db2.gz UFRNQRVWKIBVQL-UHFFFAOYSA-N 1 2 325.437 3.887 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](CC)c1ccccc1OCC ZINC000595411401 1033788906 /nfs/dbraw/zinc/78/89/06/1033788906.db2.gz IQJJVZSLRQPZGS-OAHLLOKOSA-N 1 2 345.443 3.534 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000595428386 1033798604 /nfs/dbraw/zinc/79/86/04/1033798604.db2.gz IQZHWTBEOVZNFS-ZDUSSCGKSA-N 1 2 341.411 3.800 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000450117717 1033798731 /nfs/dbraw/zinc/79/87/31/1033798731.db2.gz UCOZMMGDLVJPDN-SCNOPHJPSA-N 1 2 343.858 3.750 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179177 1033805240 /nfs/dbraw/zinc/80/52/40/1033805240.db2.gz FBUVAOISTMBMDC-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179177 1033805252 /nfs/dbraw/zinc/80/52/52/1033805252.db2.gz FBUVAOISTMBMDC-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000450155826 1033821363 /nfs/dbraw/zinc/82/13/63/1033821363.db2.gz BIMVFPVMBZHEJR-RHSMWYFYSA-N 1 2 339.464 3.750 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2cc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000450155828 1033822427 /nfs/dbraw/zinc/82/24/27/1033822427.db2.gz BIMVFPVMBZHEJR-YOEHRIQHSA-N 1 2 339.464 3.750 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000450163710 1033833035 /nfs/dbraw/zinc/83/30/35/1033833035.db2.gz SUXFDWMDHVXWIU-RTBURBONSA-N 1 2 325.456 3.706 20 0 EHADLO COc1ccc(-c2nc(NC(=O)[C@H]3CCCC[N@@H+]3C)sc2C)cc1 ZINC000599296758 1033861247 /nfs/dbraw/zinc/86/12/47/1033861247.db2.gz MZNSHEHSUHSXNU-OAHLLOKOSA-N 1 2 345.468 3.550 20 0 EHADLO COc1ccc(-c2nc(NC(=O)[C@H]3CCCC[N@H+]3C)sc2C)cc1 ZINC000599296758 1033861260 /nfs/dbraw/zinc/86/12/60/1033861260.db2.gz MZNSHEHSUHSXNU-OAHLLOKOSA-N 1 2 345.468 3.550 20 0 EHADLO C[C@](CO)([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000599441801 1033928495 /nfs/dbraw/zinc/92/84/95/1033928495.db2.gz CRWUDIRTYXZMKW-HXUWFJFHSA-N 1 2 338.476 3.731 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3C[C@H](C)n4ncnc43)oc21 ZINC000658101915 1033950381 /nfs/dbraw/zinc/95/03/81/1033950381.db2.gz NEFBWPDHUBPRRS-SGMGOOAPSA-N 1 2 326.400 3.780 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-c2ccoc2)c1 ZINC000761128461 1033950290 /nfs/dbraw/zinc/95/02/90/1033950290.db2.gz BSKQIARXZAPLOI-GOSISDBHSA-N 1 2 337.423 3.988 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000117542006 1033975726 /nfs/dbraw/zinc/97/57/26/1033975726.db2.gz WDPHRZSKTFIORO-QGZVFWFLSA-N 1 2 348.450 3.928 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000117892122 1033986692 /nfs/dbraw/zinc/98/66/92/1033986692.db2.gz QGCRANHRWOKGMK-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000117892122 1033986711 /nfs/dbraw/zinc/98/67/11/1033986711.db2.gz QGCRANHRWOKGMK-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cs1 ZINC000603872785 1033996974 /nfs/dbraw/zinc/99/69/74/1033996974.db2.gz MPJXGTNCOYDEKL-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cs1 ZINC000603872785 1033996981 /nfs/dbraw/zinc/99/69/81/1033996981.db2.gz MPJXGTNCOYDEKL-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000658160212 1034019525 /nfs/dbraw/zinc/01/95/25/1034019525.db2.gz WOVGBYVOTIDSLX-NBQZKYEYSA-N 1 2 342.487 3.917 20 0 EHADLO CCc1nc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cs1 ZINC000101665691 1034025583 /nfs/dbraw/zinc/02/55/83/1034025583.db2.gz WPKWTTZWFXHEEG-UHFFFAOYSA-N 1 2 346.843 3.726 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000120689519 1034026664 /nfs/dbraw/zinc/02/66/64/1034026664.db2.gz XCTHTVZRFJDYSJ-UHFFFAOYSA-N 1 2 329.425 3.699 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000120689519 1034026673 /nfs/dbraw/zinc/02/66/73/1034026673.db2.gz XCTHTVZRFJDYSJ-UHFFFAOYSA-N 1 2 329.425 3.699 20 0 EHADLO CCCc1nc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000599594124 1034032459 /nfs/dbraw/zinc/03/24/59/1034032459.db2.gz FGTCJDDHKDKIQW-UKRRQHHQSA-N 1 2 338.517 3.895 20 0 EHADLO CCCc1nc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000599594124 1034032471 /nfs/dbraw/zinc/03/24/71/1034032471.db2.gz FGTCJDDHKDKIQW-UKRRQHHQSA-N 1 2 338.517 3.895 20 0 EHADLO CC(C)c1csc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000056560497 1034035808 /nfs/dbraw/zinc/03/58/08/1034035808.db2.gz LLPGTGFNHUKTSP-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)n2)c1 ZINC000450279964 1034042088 /nfs/dbraw/zinc/04/20/88/1034042088.db2.gz VWWDHCVEXZAMPD-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)n2)c1 ZINC000450279964 1034042106 /nfs/dbraw/zinc/04/21/06/1034042106.db2.gz VWWDHCVEXZAMPD-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)nn1 ZINC000658177948 1034044205 /nfs/dbraw/zinc/04/42/05/1034044205.db2.gz XNVUWMOVXWYUNV-CYBMUJFWSA-N 1 2 341.484 3.505 20 0 EHADLO CC1CCC(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000056818924 1034048484 /nfs/dbraw/zinc/04/84/84/1034048484.db2.gz QFHDODSICHTJIC-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026806 1034062076 /nfs/dbraw/zinc/06/20/76/1034062076.db2.gz XKKWTFHGVAXVHQ-OCBCSQNSSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026806 1034062090 /nfs/dbraw/zinc/06/20/90/1034062090.db2.gz XKKWTFHGVAXVHQ-OCBCSQNSSA-N 1 2 334.410 3.573 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000596078673 1034070216 /nfs/dbraw/zinc/07/02/16/1034070216.db2.gz XSWCJGPYWWACBO-HNNXBMFYSA-N 1 2 328.412 3.824 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000596081109 1034073808 /nfs/dbraw/zinc/07/38/08/1034073808.db2.gz RJIUXELMXOVQNW-UHFFFAOYSA-N 1 2 340.398 3.620 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120729746 1034087290 /nfs/dbraw/zinc/08/72/90/1034087290.db2.gz DSOOJQJNIVNSRT-IBGZPJMESA-N 1 2 339.483 3.533 20 0 EHADLO Cc1nn(C)cc1[C@H](C)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450311134 1034087335 /nfs/dbraw/zinc/08/73/35/1034087335.db2.gz YPCNHBZNKIJTCH-JTQLQIEISA-N 1 2 334.345 3.891 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCCOc3ccccc3)CCO2)c1 ZINC000119119450 1034088799 /nfs/dbraw/zinc/08/87/99/1034088799.db2.gz AAODENKNVFHFJX-FQEVSTJZSA-N 1 2 327.424 3.538 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCCOc3ccccc3)CCO2)c1 ZINC000119119450 1034088813 /nfs/dbraw/zinc/08/88/13/1034088813.db2.gz AAODENKNVFHFJX-FQEVSTJZSA-N 1 2 327.424 3.538 20 0 EHADLO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658233168 1034091552 /nfs/dbraw/zinc/09/15/52/1034091552.db2.gz OSAQVDQLWAVPCJ-NSHDSACASA-N 1 2 335.498 3.593 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000596151511 1034091788 /nfs/dbraw/zinc/09/17/88/1034091788.db2.gz QNNJZPDSVXFPOW-STQMWFEESA-N 1 2 330.350 3.578 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120760836 1034098262 /nfs/dbraw/zinc/09/82/62/1034098262.db2.gz AGUJNJBZCUQOOT-WOJBJXKFSA-N 1 2 338.451 3.576 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)nnn1-c1ccccc1 ZINC000658237149 1034103394 /nfs/dbraw/zinc/10/33/94/1034103394.db2.gz BYUSIWYPLSJKIU-DJJJIMSYSA-N 1 2 334.423 3.619 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000119402249 1034140133 /nfs/dbraw/zinc/14/01/33/1034140133.db2.gz DFEGUISUAYEWTP-HKUYNNGSSA-N 1 2 337.467 3.816 20 0 EHADLO COCC1(C)CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529539562 1034143044 /nfs/dbraw/zinc/14/30/44/1034143044.db2.gz CYKXRGNPWBSQCG-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000101731295 1034144993 /nfs/dbraw/zinc/14/49/93/1034144993.db2.gz IWOPFEMMRAUTOK-AWEZNQCLSA-N 1 2 342.405 3.698 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000101731295 1034145002 /nfs/dbraw/zinc/14/50/02/1034145002.db2.gz IWOPFEMMRAUTOK-AWEZNQCLSA-N 1 2 342.405 3.698 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCCCC1(F)F ZINC000450345281 1034153646 /nfs/dbraw/zinc/15/36/46/1034153646.db2.gz AOLATWRSYZODMU-LLVKDONJSA-N 1 2 325.325 3.703 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCCCC1(F)F ZINC000450345281 1034153662 /nfs/dbraw/zinc/15/36/62/1034153662.db2.gz AOLATWRSYZODMU-LLVKDONJSA-N 1 2 325.325 3.703 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCCCC1(F)F ZINC000450345282 1034153705 /nfs/dbraw/zinc/15/37/05/1034153705.db2.gz AOLATWRSYZODMU-NSHDSACASA-N 1 2 325.325 3.703 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCCCC1(F)F ZINC000450345282 1034153711 /nfs/dbraw/zinc/15/37/11/1034153711.db2.gz AOLATWRSYZODMU-NSHDSACASA-N 1 2 325.325 3.703 20 0 EHADLO C[C@H](O)C[C@H](C)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450348045 1034159034 /nfs/dbraw/zinc/15/90/34/1034159034.db2.gz KQIMZKNVBVZRMI-UWVGGRQHSA-N 1 2 341.224 3.955 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000500359276 1034172321 /nfs/dbraw/zinc/17/23/21/1034172321.db2.gz DTADRNYEPRKLTQ-ZIAGYGMSSA-N 1 2 329.831 3.754 20 0 EHADLO COC(=O)c1sccc1C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000088536951 1034207115 /nfs/dbraw/zinc/20/71/15/1034207115.db2.gz HCEHVXAJINJHRR-UHFFFAOYSA-N 1 2 336.482 3.859 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000119741746 1034212005 /nfs/dbraw/zinc/21/20/05/1034212005.db2.gz GGJKWFTVKMRDDR-LJQANCHMSA-N 1 2 343.430 3.702 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nncn3-c3ccccc3F)cn2c1 ZINC000006105997 1034246310 /nfs/dbraw/zinc/24/63/10/1034246310.db2.gz INJLIWYIVNJLQL-UHFFFAOYSA-N 1 2 339.399 3.655 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332374 1034250754 /nfs/dbraw/zinc/25/07/54/1034250754.db2.gz XLIRXFNKPMVKCE-XJKCOSOUSA-N 1 2 341.904 3.927 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332374 1034250768 /nfs/dbraw/zinc/25/07/68/1034250768.db2.gz XLIRXFNKPMVKCE-XJKCOSOUSA-N 1 2 341.904 3.927 20 0 EHADLO CC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000450411235 1034265960 /nfs/dbraw/zinc/26/59/60/1034265960.db2.gz NBBUWABRRWYWAP-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CC(=O)c1cccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000450411235 1034265975 /nfs/dbraw/zinc/26/59/75/1034265975.db2.gz NBBUWABRRWYWAP-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)cs1 ZINC000450444005 1034310689 /nfs/dbraw/zinc/31/06/89/1034310689.db2.gz XSIBGYLLPKYUSD-DAYGRLMNSA-N 1 2 348.512 3.837 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)cs1 ZINC000450444005 1034310697 /nfs/dbraw/zinc/31/06/97/1034310697.db2.gz XSIBGYLLPKYUSD-DAYGRLMNSA-N 1 2 348.512 3.837 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000450436543 1034325698 /nfs/dbraw/zinc/32/56/98/1034325698.db2.gz JEVXQZXSSKELNG-INIZCTEOSA-N 1 2 328.485 3.819 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000450436543 1034325707 /nfs/dbraw/zinc/32/57/07/1034325707.db2.gz JEVXQZXSSKELNG-INIZCTEOSA-N 1 2 328.485 3.819 20 0 EHADLO CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000450444838 1034341254 /nfs/dbraw/zinc/34/12/54/1034341254.db2.gz ZUZBTMHJURDOMO-OAQYLSRUSA-N 1 2 349.478 3.621 20 0 EHADLO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000450444838 1034341271 /nfs/dbraw/zinc/34/12/71/1034341271.db2.gz ZUZBTMHJURDOMO-OAQYLSRUSA-N 1 2 349.478 3.621 20 0 EHADLO Cc1nc([C@H]2CCCN2c2nc(N(C)C)c3ccccc3[nH+]2)cs1 ZINC000450452926 1034362571 /nfs/dbraw/zinc/36/25/71/1034362571.db2.gz NPQGEUNXAOJWJT-MRXNPFEDSA-N 1 2 339.468 3.802 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](c4ccco4)C3)c2cc1C ZINC000121066335 1034368963 /nfs/dbraw/zinc/36/89/63/1034368963.db2.gz ZHTGDBYXQLQARF-IBGZPJMESA-N 1 2 339.391 3.576 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](c4ccco4)C3)c2cc1C ZINC000121066335 1034368981 /nfs/dbraw/zinc/36/89/81/1034368981.db2.gz ZHTGDBYXQLQARF-IBGZPJMESA-N 1 2 339.391 3.576 20 0 EHADLO CCOC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000428761769 1034380087 /nfs/dbraw/zinc/38/00/87/1034380087.db2.gz VUVHUZGUTBJTTL-LBPRGKRZSA-N 1 2 342.842 3.697 20 0 EHADLO CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000450475168 1034392247 /nfs/dbraw/zinc/39/22/47/1034392247.db2.gz VYUNZQHHFGTMNJ-HNNXBMFYSA-N 1 2 347.480 3.769 20 0 EHADLO CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000450475168 1034392253 /nfs/dbraw/zinc/39/22/53/1034392253.db2.gz VYUNZQHHFGTMNJ-HNNXBMFYSA-N 1 2 347.480 3.769 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456393542 1034394599 /nfs/dbraw/zinc/39/45/99/1034394599.db2.gz YBNKQXAAZGJTDI-DOTOQJQBSA-N 1 2 343.858 3.853 20 0 EHADLO c1csc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000534333260 1034406905 /nfs/dbraw/zinc/40/69/05/1034406905.db2.gz ODMVPUJJOBLMBQ-UHFFFAOYSA-N 1 2 344.509 3.518 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604594810 1034432789 /nfs/dbraw/zinc/43/27/89/1034432789.db2.gz PBCDQZGGLTVMNO-QGZVFWFLSA-N 1 2 344.503 3.662 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000604630072 1034439746 /nfs/dbraw/zinc/43/97/46/1034439746.db2.gz FPMQLNXJCHQGMR-OAHLLOKOSA-N 1 2 342.443 3.929 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000604630982 1034440707 /nfs/dbraw/zinc/44/07/07/1034440707.db2.gz SDCIPIJBESBMHI-WBVHZDCISA-N 1 2 334.508 3.956 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2)n1cc[nH+]c1 ZINC000529705640 1034455890 /nfs/dbraw/zinc/45/58/90/1034455890.db2.gz BDNISXWANXHEIC-AWEZNQCLSA-N 1 2 325.412 3.721 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540618 1034483938 /nfs/dbraw/zinc/48/39/38/1034483938.db2.gz PGNDPDZZZPWQPS-WKOYGUFESA-N 1 2 341.842 3.533 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450540096 1034490675 /nfs/dbraw/zinc/49/06/75/1034490675.db2.gz MMIKAAFYDLADPY-OAHLLOKOSA-N 1 2 345.409 3.881 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000171608921 1034509396 /nfs/dbraw/zinc/50/93/96/1034509396.db2.gz NTPGZIBETYXBSI-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000171608921 1034509409 /nfs/dbraw/zinc/50/94/09/1034509409.db2.gz NTPGZIBETYXBSI-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000604847627 1034523331 /nfs/dbraw/zinc/52/33/31/1034523331.db2.gz XPVAGCFCWWAZRO-SJLPKXTDSA-N 1 2 330.472 3.674 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669784378 1034598936 /nfs/dbraw/zinc/59/89/36/1034598936.db2.gz DCVKNRHJEQILSO-CABCVRRESA-N 1 2 344.484 3.713 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000605051618 1034601946 /nfs/dbraw/zinc/60/19/46/1034601946.db2.gz OKRRIGQFPJPUAW-MRXNPFEDSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000534528707 1034647183 /nfs/dbraw/zinc/64/71/83/1034647183.db2.gz JGNZBYOYBARSQO-UHFFFAOYSA-N 1 2 348.537 3.785 20 0 EHADLO C[C@@H](CCC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000534530168 1034647212 /nfs/dbraw/zinc/64/72/12/1034647212.db2.gz RZIXSOSWTRMERL-KRWDZBQOSA-N 1 2 342.508 3.976 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC(F)F)cc1 ZINC000450666633 1034666485 /nfs/dbraw/zinc/66/64/85/1034666485.db2.gz JEZNWMBOCQQPLL-VIFPVBQESA-N 1 2 325.384 3.868 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)[C@@H](O)c1c(Cl)cccc1Cl ZINC000375842012 1034696798 /nfs/dbraw/zinc/69/67/98/1034696798.db2.gz UJJOEJAJDOTLCB-LQBHMHGISA-N 1 2 340.254 3.806 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)n1 ZINC000450674996 1034700479 /nfs/dbraw/zinc/70/04/79/1034700479.db2.gz CRGNENNYUVVYPM-HNNXBMFYSA-N 1 2 340.395 3.695 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(F)cc1F ZINC000450675891 1034702964 /nfs/dbraw/zinc/70/29/64/1034702964.db2.gz DSXBDIJDWPSZCY-KRWDZBQOSA-N 1 2 334.414 3.843 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000456798710 1034721298 /nfs/dbraw/zinc/72/12/98/1034721298.db2.gz KRZWHQLIEGQVAO-CQSZACIVSA-N 1 2 331.847 3.788 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000456776369 1034723845 /nfs/dbraw/zinc/72/38/45/1034723845.db2.gz QTVRNCZDVATPNC-BJLQDIEVSA-N 1 2 337.467 3.536 20 0 EHADLO CCn1c[nH+]cc1[C@H]1CCCCN1c1nc(C2CC2)nc2[nH]ccc21 ZINC000631092323 1034728281 /nfs/dbraw/zinc/72/82/81/1034728281.db2.gz ZUMUHCBHAPAYTH-OAHLLOKOSA-N 1 2 336.443 3.783 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000413662270 1034748831 /nfs/dbraw/zinc/74/88/31/1034748831.db2.gz ZIBDSVXBPPIHOR-KRWDZBQOSA-N 1 2 348.450 3.961 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@H]1c1cccc(F)c1 ZINC000685764941 1034761018 /nfs/dbraw/zinc/76/10/18/1034761018.db2.gz LLKQKQPCOCVGQT-FQEVSTJZSA-N 1 2 349.409 3.587 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000450756901 1034775896 /nfs/dbraw/zinc/77/58/96/1034775896.db2.gz HENIXFTUROMDOE-UHFFFAOYSA-N 1 2 349.521 3.921 20 0 EHADLO Cc1cc(OC(F)F)c(C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000456839315 1034786703 /nfs/dbraw/zinc/78/67/03/1034786703.db2.gz MNGZEWQHFOTBEP-UHFFFAOYSA-N 1 2 326.368 3.600 20 0 EHADLO Cc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000605575482 1034788276 /nfs/dbraw/zinc/78/82/76/1034788276.db2.gz DQRPTVOFRAZLAC-QWRGUYRKSA-N 1 2 326.284 3.953 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C)n1cc[nH+]c1 ZINC000529943872 1034804931 /nfs/dbraw/zinc/80/49/31/1034804931.db2.gz TURVKLFDGLBUIF-PBHICJAKSA-N 1 2 329.419 3.768 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](N3CCCCC3=O)C2)nc(C(C)C)[nH+]1 ZINC000761224341 1034812170 /nfs/dbraw/zinc/81/21/70/1034812170.db2.gz SVTPTHFANZYIFP-MRXNPFEDSA-N 1 2 344.503 3.705 20 0 EHADLO Clc1ccc(C2CN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000450823887 1034828620 /nfs/dbraw/zinc/82/86/20/1034828620.db2.gz DIMKUICKXXIGLF-UHFFFAOYSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1ccc(C2CN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000450823887 1034828630 /nfs/dbraw/zinc/82/86/30/1034828630.db2.gz DIMKUICKXXIGLF-UHFFFAOYSA-N 1 2 328.847 3.724 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450830184 1034833565 /nfs/dbraw/zinc/83/35/65/1034833565.db2.gz RRJIEVAIDOFLTF-SFHVURJKSA-N 1 2 331.485 3.579 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450830184 1034833572 /nfs/dbraw/zinc/83/35/72/1034833572.db2.gz RRJIEVAIDOFLTF-SFHVURJKSA-N 1 2 331.485 3.579 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000375891571 1034842611 /nfs/dbraw/zinc/84/26/11/1034842611.db2.gz WGWIGZNTDQUPPV-PRHODGIISA-N 1 2 339.363 3.597 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000172231086 1034865650 /nfs/dbraw/zinc/86/56/50/1034865650.db2.gz VTULCTYYPQCLCV-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172231094 1034866460 /nfs/dbraw/zinc/86/64/60/1034866460.db2.gz MQQSJJQQMOHESO-QGZVFWFLSA-N 1 2 333.435 3.991 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450907285 1034928936 /nfs/dbraw/zinc/92/89/36/1034928936.db2.gz FRTCETQTNDXOQN-QGZVFWFLSA-N 1 2 326.419 3.866 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000450907285 1034928947 /nfs/dbraw/zinc/92/89/47/1034928947.db2.gz FRTCETQTNDXOQN-QGZVFWFLSA-N 1 2 326.419 3.866 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)O1 ZINC000450912536 1034933322 /nfs/dbraw/zinc/93/33/22/1034933322.db2.gz XQPFEDHYUNLTOM-JTQLQIEISA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](CCc3c(Cl)cccc3Cl)C2)O1 ZINC000450912536 1034933331 /nfs/dbraw/zinc/93/33/31/1034933331.db2.gz XQPFEDHYUNLTOM-JTQLQIEISA-N 1 2 342.226 3.504 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000450934187 1034939047 /nfs/dbraw/zinc/93/90/47/1034939047.db2.gz WGDQDXDHWZMBDS-UHFFFAOYSA-N 1 2 341.476 3.770 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000450934187 1034939058 /nfs/dbraw/zinc/93/90/58/1034939058.db2.gz WGDQDXDHWZMBDS-UHFFFAOYSA-N 1 2 341.476 3.770 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931091 1034945769 /nfs/dbraw/zinc/94/57/69/1034945769.db2.gz HSAQGVBDMWGPNC-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931091 1034945778 /nfs/dbraw/zinc/94/57/78/1034945778.db2.gz HSAQGVBDMWGPNC-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C2=O ZINC000530096663 1034956024 /nfs/dbraw/zinc/95/60/24/1034956024.db2.gz SVWFQKDSUGMEJZ-GOSISDBHSA-N 1 2 340.398 3.585 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C2=O ZINC000530096663 1034956039 /nfs/dbraw/zinc/95/60/39/1034956039.db2.gz SVWFQKDSUGMEJZ-GOSISDBHSA-N 1 2 340.398 3.585 20 0 EHADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000612504270 1035004425 /nfs/dbraw/zinc/00/44/25/1035004425.db2.gz AVXFPQWJPCETTE-OAHLLOKOSA-N 1 2 347.418 3.767 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC=C(c4cccnc4)C3)o2)c(C)o1 ZINC000451021549 1035019630 /nfs/dbraw/zinc/01/96/30/1035019630.db2.gz DURLGFSZEARLOH-UHFFFAOYSA-N 1 2 336.395 3.631 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC=C(c4cccnc4)C3)o2)c(C)o1 ZINC000451021549 1035019638 /nfs/dbraw/zinc/01/96/38/1035019638.db2.gz DURLGFSZEARLOH-UHFFFAOYSA-N 1 2 336.395 3.631 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc2c(c1)CCC2 ZINC000066006635 1035096222 /nfs/dbraw/zinc/09/62/22/1035096222.db2.gz FAGFJBGMQODANI-QGZVFWFLSA-N 1 2 342.512 3.773 20 0 EHADLO CC(C)CC[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511371102 1035189267 /nfs/dbraw/zinc/18/92/67/1035189267.db2.gz LLZHOTNWWISACR-ZWKOTPCHSA-N 1 2 344.503 3.661 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000584498069 1035192139 /nfs/dbraw/zinc/19/21/39/1035192139.db2.gz XLQULELKIODRGL-UHFFFAOYSA-N 1 2 348.834 3.574 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061737 1035203478 /nfs/dbraw/zinc/20/34/78/1035203478.db2.gz KYIWKIPTKXYMQE-HZPDHXFCSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061737 1035203487 /nfs/dbraw/zinc/20/34/87/1035203487.db2.gz KYIWKIPTKXYMQE-HZPDHXFCSA-N 1 2 336.407 3.510 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2sc(C)cc2Br)on1 ZINC000926700365 1035226185 /nfs/dbraw/zinc/22/61/85/1035226185.db2.gz BDOCTGQHTKXJND-QMMMGPOBSA-N 1 2 331.235 3.666 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000613005076 1035350599 /nfs/dbraw/zinc/35/05/99/1035350599.db2.gz KFXBQSYPJNZFEV-NSHDSACASA-N 1 2 345.855 3.918 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376180085 1035382347 /nfs/dbraw/zinc/38/23/47/1035382347.db2.gz DZOXRXNVYBMLCK-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO CCC(CC)CN(CC)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431761073 1035443442 /nfs/dbraw/zinc/44/34/42/1035443442.db2.gz TXMYJZHXPOFBSY-UHFFFAOYSA-N 1 2 327.472 3.759 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cc2n(n1)CCC2 ZINC000414087723 1035466700 /nfs/dbraw/zinc/46/67/00/1035466700.db2.gz BKOKEVIATVDCMZ-JTQLQIEISA-N 1 2 341.789 3.935 20 0 EHADLO CC1(C)CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H]1c1ccco1 ZINC000636306081 1035488074 /nfs/dbraw/zinc/48/80/74/1035488074.db2.gz YXBRMNISFXEJCE-GXTWGEPZSA-N 1 2 341.333 3.579 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000613307748 1035532669 /nfs/dbraw/zinc/53/26/69/1035532669.db2.gz AXEKVQKSCHUACW-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533832 1035546826 /nfs/dbraw/zinc/54/68/26/1035546826.db2.gz BXABUXZPRASBFZ-YGRLFVJLSA-N 1 2 343.324 3.537 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533832 1035546835 /nfs/dbraw/zinc/54/68/35/1035546835.db2.gz BXABUXZPRASBFZ-YGRLFVJLSA-N 1 2 343.324 3.537 20 0 EHADLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC000431798960 1035560842 /nfs/dbraw/zinc/56/08/42/1035560842.db2.gz HGGBQBJUWMJMDJ-UHFFFAOYSA-N 1 2 349.390 3.517 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571688176 1035592822 /nfs/dbraw/zinc/59/28/22/1035592822.db2.gz MZRIHGLXECAYJO-QGZVFWFLSA-N 1 2 325.456 3.520 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000186221724 1035605500 /nfs/dbraw/zinc/60/55/00/1035605500.db2.gz LRUCIJGJIARQQO-STQMWFEESA-N 1 2 328.441 3.749 20 0 EHADLO COc1ccc(C2([NH2+][C@@H](C)c3nnn(-c4ccccc4)c3C)CC2)cc1 ZINC000540723216 1035612212 /nfs/dbraw/zinc/61/22/12/1035612212.db2.gz GOLXTKAMAXQRCJ-HNNXBMFYSA-N 1 2 348.450 3.924 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](Cc3ccccn3)C(C)C)o2)c(C)o1 ZINC000534811418 1035618254 /nfs/dbraw/zinc/61/82/54/1035618254.db2.gz VUKQGAZVGWNSGY-UHFFFAOYSA-N 1 2 326.400 3.752 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](Cc3ccccn3)C(C)C)o2)c(C)o1 ZINC000534811418 1035618261 /nfs/dbraw/zinc/61/82/61/1035618261.db2.gz VUKQGAZVGWNSGY-UHFFFAOYSA-N 1 2 326.400 3.752 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000457002685 1035632529 /nfs/dbraw/zinc/63/25/29/1035632529.db2.gz NAXPJERQKYTZDX-TXPKVOOTSA-N 1 2 325.456 3.876 20 0 EHADLO Cc1ccc2nc(SCc3ccc(C)[nH+]c3C)n(C)c(=O)c2c1 ZINC000186589716 1035662241 /nfs/dbraw/zinc/66/22/41/1035662241.db2.gz SBXWGPANFKBHTK-UHFFFAOYSA-N 1 2 325.437 3.546 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000540837859 1035722876 /nfs/dbraw/zinc/72/28/76/1035722876.db2.gz QMUFNUHZQLVIIL-GFCCVEGCSA-N 1 2 342.405 3.621 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000540837859 1035722893 /nfs/dbraw/zinc/72/28/93/1035722893.db2.gz QMUFNUHZQLVIIL-GFCCVEGCSA-N 1 2 342.405 3.621 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccc(F)cc1 ZINC000534863394 1035725529 /nfs/dbraw/zinc/72/55/29/1035725529.db2.gz CIHMYRBRPYBFHQ-LJQANCHMSA-N 1 2 346.471 3.759 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccc(F)cc1 ZINC000534863394 1035725543 /nfs/dbraw/zinc/72/55/43/1035725543.db2.gz CIHMYRBRPYBFHQ-LJQANCHMSA-N 1 2 346.471 3.759 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457116612 1035730283 /nfs/dbraw/zinc/73/02/83/1035730283.db2.gz KASHCUDLVZIPEE-DOTOQJQBSA-N 1 2 331.847 3.769 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCO1 ZINC000540871045 1035751301 /nfs/dbraw/zinc/75/13/01/1035751301.db2.gz DWUQPVLECMJNQH-DOTOQJQBSA-N 1 2 344.459 3.748 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012061 1035755306 /nfs/dbraw/zinc/75/53/06/1035755306.db2.gz CHDCXWCGWIJXGF-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012061 1035755291 /nfs/dbraw/zinc/75/52/91/1035755291.db2.gz CHDCXWCGWIJXGF-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187222687 1035776360 /nfs/dbraw/zinc/77/63/60/1035776360.db2.gz RPSACNPIWJVMRM-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)s1 ZINC000053125312 1035785569 /nfs/dbraw/zinc/78/55/69/1035785569.db2.gz IPNROSKOOWZFFF-ZDUSSCGKSA-N 1 2 334.460 3.759 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)s1 ZINC000053125312 1035785584 /nfs/dbraw/zinc/78/55/84/1035785584.db2.gz IPNROSKOOWZFFF-ZDUSSCGKSA-N 1 2 334.460 3.759 20 0 EHADLO Cc1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)c(C)[nH+]1 ZINC000187211669 1035786284 /nfs/dbraw/zinc/78/62/84/1035786284.db2.gz RGRQWYHVRKFKMF-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1nc(Cc2nnc(SCc3ccc(C)[nH+]c3C)o2)cs1 ZINC000187294302 1035805996 /nfs/dbraw/zinc/80/59/96/1035805996.db2.gz DTKUZFAKWPRCCI-UHFFFAOYSA-N 1 2 332.454 3.729 20 0 EHADLO CCCCCOc1cc(C[NH2+]Cc2nnc(C)s2)ccc1OC ZINC000540941830 1035828233 /nfs/dbraw/zinc/82/82/33/1035828233.db2.gz NRPDPUSNYBGCNW-UHFFFAOYSA-N 1 2 335.473 3.714 20 0 EHADLO CC[N@H+](Cc1ccoc1)Cc1cn2cc(Br)ccc2n1 ZINC000588236692 1035833099 /nfs/dbraw/zinc/83/30/99/1035833099.db2.gz ZFJOXFJTNGEERY-UHFFFAOYSA-N 1 2 334.217 3.712 20 0 EHADLO CC[N@@H+](Cc1ccoc1)Cc1cn2cc(Br)ccc2n1 ZINC000588236692 1035833116 /nfs/dbraw/zinc/83/31/16/1035833116.db2.gz ZFJOXFJTNGEERY-UHFFFAOYSA-N 1 2 334.217 3.712 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424380 1035836312 /nfs/dbraw/zinc/83/63/12/1035836312.db2.gz OYQMNCIUOPIYQT-UHFFFAOYSA-N 1 2 345.409 3.881 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613442928 1035878915 /nfs/dbraw/zinc/87/89/15/1035878915.db2.gz CHNYNJUSKQMYDN-UHFFFAOYSA-N 1 2 340.467 3.773 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613442928 1035878938 /nfs/dbraw/zinc/87/89/38/1035878938.db2.gz CHNYNJUSKQMYDN-UHFFFAOYSA-N 1 2 340.467 3.773 20 0 EHADLO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OC(C)C ZINC001168168374 1035907090 /nfs/dbraw/zinc/90/70/90/1035907090.db2.gz RRRMDRQGQHPUAE-BBRMVZONSA-N 1 2 343.920 3.934 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C2CCCCC2)n1 ZINC000588358147 1035909406 /nfs/dbraw/zinc/90/94/06/1035909406.db2.gz WEVKJOGEJLEKSX-UHFFFAOYSA-N 1 2 349.438 3.906 20 0 EHADLO O=C([C@H](c1ccccc1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535023864 1035910084 /nfs/dbraw/zinc/91/00/84/1035910084.db2.gz QCDDKDYJAQOJJK-LJQANCHMSA-N 1 2 340.492 3.586 20 0 EHADLO COc1cccc(C=C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000535006552 1035914594 /nfs/dbraw/zinc/91/45/94/1035914594.db2.gz BVLIMPITDYHFFT-UHFFFAOYSA-N 1 2 346.434 3.735 20 0 EHADLO Cc1cc(NC(=O)COc2ccccc2-c2ccccc2)c(C)c[nH+]1 ZINC000535036501 1035917582 /nfs/dbraw/zinc/91/75/82/1035917582.db2.gz QXEZTUHWQMNZOM-UHFFFAOYSA-N 1 2 332.403 3.805 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000588365896 1035923526 /nfs/dbraw/zinc/92/35/26/1035923526.db2.gz OKAPWQLXAAJMBZ-UHFFFAOYSA-N 1 2 337.423 3.921 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C3CC3)[C@@H]3CCc4ccccc43)[nH+]c12 ZINC000588366664 1035923950 /nfs/dbraw/zinc/92/39/50/1035923950.db2.gz MKNNOJCMBARTFT-HXUWFJFHSA-N 1 2 345.446 3.864 20 0 EHADLO CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000892549048 1035937021 /nfs/dbraw/zinc/93/70/21/1035937021.db2.gz MQSMVYSVRJRNNZ-INIZCTEOSA-N 1 2 332.494 3.501 20 0 EHADLO CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000892549049 1035937916 /nfs/dbraw/zinc/93/79/16/1035937916.db2.gz MQSMVYSVRJRNNZ-MRXNPFEDSA-N 1 2 332.494 3.501 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCC[C@H]3Cc3ccccc3)[nH+]c12 ZINC000588646640 1035940454 /nfs/dbraw/zinc/94/04/54/1035940454.db2.gz XRWTWOOSBIUWDO-FQEVSTJZSA-N 1 2 347.462 3.809 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000541053705 1035946269 /nfs/dbraw/zinc/94/62/69/1035946269.db2.gz KMWKSVBMQIOPPZ-HNNXBMFYSA-N 1 2 328.437 3.789 20 0 EHADLO CSC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000188575047 1035952343 /nfs/dbraw/zinc/95/23/43/1035952343.db2.gz MHSMTNOAHWILDD-UHFFFAOYSA-N 1 2 327.453 3.721 20 0 EHADLO CCCCn1c(SCCc2ccncc2)nnc1[C@H](CC)[NH+](C)C ZINC000588706556 1035977889 /nfs/dbraw/zinc/97/78/89/1035977889.db2.gz TVGRYHMKTDGXRG-INIZCTEOSA-N 1 2 347.532 3.821 20 0 EHADLO CCCCn1c(SCCc2ccncc2)nnc1[C@@H](CC)[NH+](C)C ZINC000588706557 1035981144 /nfs/dbraw/zinc/98/11/44/1035981144.db2.gz TVGRYHMKTDGXRG-MRXNPFEDSA-N 1 2 347.532 3.821 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1 ZINC000613486065 1036048712 /nfs/dbraw/zinc/04/87/12/1036048712.db2.gz RGAFFVTURKSAKQ-HNNXBMFYSA-N 1 2 339.439 3.766 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1 ZINC000613486065 1036048731 /nfs/dbraw/zinc/04/87/31/1036048731.db2.gz RGAFFVTURKSAKQ-HNNXBMFYSA-N 1 2 339.439 3.766 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541220929 1036098640 /nfs/dbraw/zinc/09/86/40/1036098640.db2.gz FKMIPOODDORGNE-AWEZNQCLSA-N 1 2 349.780 3.818 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541220929 1036098658 /nfs/dbraw/zinc/09/86/58/1036098658.db2.gz FKMIPOODDORGNE-AWEZNQCLSA-N 1 2 349.780 3.818 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000572506459 1036120366 /nfs/dbraw/zinc/12/03/66/1036120366.db2.gz UDUIQMZRANVGBA-ZACQAIPSSA-N 1 2 340.471 3.507 20 0 EHADLO CCN(CC)[C@H](C[NH2+]Cc1nnc(C(C)C)s1)c1ccsc1 ZINC000892564177 1036122042 /nfs/dbraw/zinc/12/20/42/1036122042.db2.gz PJMAICVCWDSGMM-CQSZACIVSA-N 1 2 338.546 3.896 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(F)cc1 ZINC000541273969 1036146728 /nfs/dbraw/zinc/14/67/28/1036146728.db2.gz OVBYVEYYOMBDIX-UHFFFAOYSA-N 1 2 342.414 3.879 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(F)cc1 ZINC000541273969 1036146736 /nfs/dbraw/zinc/14/67/36/1036146736.db2.gz OVBYVEYYOMBDIX-UHFFFAOYSA-N 1 2 342.414 3.879 20 0 EHADLO Cc1cc(Br)cn2c(CN=c3cc(C(C)C)o[nH]3)c[nH+]c12 ZINC000541283547 1036163852 /nfs/dbraw/zinc/16/38/52/1036163852.db2.gz BTBGZZAJKSRAFJ-UHFFFAOYSA-N 1 2 349.232 3.551 20 0 EHADLO C[C@@H]1CCC(C)(C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000913993878 1036189564 /nfs/dbraw/zinc/18/95/64/1036189564.db2.gz NBHVTBCJVGFMCK-OAHLLOKOSA-N 1 2 330.476 3.544 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000170774793 1036216406 /nfs/dbraw/zinc/21/64/06/1036216406.db2.gz ZIDXBOOZBJRNBL-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000170774793 1036216424 /nfs/dbraw/zinc/21/64/24/1036216424.db2.gz ZIDXBOOZBJRNBL-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(CCc3ccc(C)cc3)CC2)n1 ZINC000175053990 1036218922 /nfs/dbraw/zinc/21/89/22/1036218922.db2.gz QRKYVEYGRZJBEV-INIZCTEOSA-N 1 2 343.471 3.930 20 0 EHADLO CC[C@H](C[N@H+](C)Cc1nnc(C)o1)Oc1ccc(Cl)c(Cl)c1 ZINC000190380086 1036232687 /nfs/dbraw/zinc/23/26/87/1036232687.db2.gz PSMVKUBBCJOUTO-LLVKDONJSA-N 1 2 344.242 3.974 20 0 EHADLO CC[C@H](C[N@@H+](C)Cc1nnc(C)o1)Oc1ccc(Cl)c(Cl)c1 ZINC000190380086 1036232703 /nfs/dbraw/zinc/23/27/03/1036232703.db2.gz PSMVKUBBCJOUTO-LLVKDONJSA-N 1 2 344.242 3.974 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000541340019 1036234831 /nfs/dbraw/zinc/23/48/31/1036234831.db2.gz WJRVVZCUOZBNPO-OAHLLOKOSA-N 1 2 344.434 3.589 20 0 EHADLO CCN(CC(C)(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000464228902 1036237705 /nfs/dbraw/zinc/23/77/05/1036237705.db2.gz LWFLIOJHKDSPLS-UHFFFAOYSA-N 1 2 332.423 3.589 20 0 EHADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000024911991 1036252088 /nfs/dbraw/zinc/25/20/88/1036252088.db2.gz FNOIEWKRIVQFNW-UHFFFAOYSA-N 1 2 347.871 3.882 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175176626 1036263482 /nfs/dbraw/zinc/26/34/82/1036263482.db2.gz AUSZZSCSAQMBRS-ZDUSSCGKSA-N 1 2 333.391 3.862 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175176626 1036263495 /nfs/dbraw/zinc/26/34/95/1036263495.db2.gz AUSZZSCSAQMBRS-ZDUSSCGKSA-N 1 2 333.391 3.862 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)s1 ZINC000175228086 1036287404 /nfs/dbraw/zinc/28/74/04/1036287404.db2.gz YDCPQEDXSLTAIF-LBPRGKRZSA-N 1 2 349.887 3.817 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175299713 1036290849 /nfs/dbraw/zinc/29/08/49/1036290849.db2.gz XIRSHMCBBWCAHM-DLBZAZTESA-N 1 2 329.469 3.666 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1(C)C ZINC000457594781 1036291913 /nfs/dbraw/zinc/29/19/13/1036291913.db2.gz IUTLXFDIXCFGIC-SFHVURJKSA-N 1 2 344.503 3.648 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1nc(C2CC2)no1 ZINC000190910884 1036302591 /nfs/dbraw/zinc/30/25/91/1036302591.db2.gz PKIHSLWUBGVQNL-UHFFFAOYSA-N 1 2 326.425 3.875 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)C1CCC1 ZINC000457599761 1036313646 /nfs/dbraw/zinc/31/36/46/1036313646.db2.gz CEZXVLVWKOTGIA-MRXNPFEDSA-N 1 2 329.488 3.583 20 0 EHADLO CCc1ccc(/C=C\C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000492800733 1036318154 /nfs/dbraw/zinc/31/81/54/1036318154.db2.gz NPFPEELTPVEDPW-NTMALXAHSA-N 1 2 332.407 3.541 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccn3C)o2)c(C)o1 ZINC000589302716 1036331456 /nfs/dbraw/zinc/33/14/56/1036331456.db2.gz OYDSRBSKESDXTB-INIZCTEOSA-N 1 2 326.400 3.622 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccn3C)o2)c(C)o1 ZINC000589302716 1036331470 /nfs/dbraw/zinc/33/14/70/1036331470.db2.gz OYDSRBSKESDXTB-INIZCTEOSA-N 1 2 326.400 3.622 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000457635872 1036337441 /nfs/dbraw/zinc/33/74/41/1036337441.db2.gz BBBLEJLHKIWGGC-APWZRJJASA-N 1 2 325.456 3.659 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(SC(F)F)cc1 ZINC000056526927 1036338020 /nfs/dbraw/zinc/33/80/20/1036338020.db2.gz IBQBSITVZPCTGR-UHFFFAOYSA-N 1 2 340.399 3.800 20 0 EHADLO Clc1ccc([C@@H]([NH2+]Cc2nc3ncccn3n2)C2CCCC2)cc1 ZINC000414266118 1036360910 /nfs/dbraw/zinc/36/09/10/1036360910.db2.gz HSIBWXPKHGQANY-KRWDZBQOSA-N 1 2 341.846 3.799 20 0 EHADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1(C)C ZINC000457659724 1036367518 /nfs/dbraw/zinc/36/75/18/1036367518.db2.gz QJRVXQXVJAJHQW-YRNRMSPPSA-N 1 2 331.504 3.664 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(C(F)(F)F)c1 ZINC000464357340 1036370450 /nfs/dbraw/zinc/37/04/50/1036370450.db2.gz SVEJNNRMWBEUGT-UHFFFAOYSA-N 1 2 349.356 3.736 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C2CCC2)c(C)c1 ZINC000457675987 1036382071 /nfs/dbraw/zinc/38/20/71/1036382071.db2.gz XTCNZBRYYNREDO-APWZRJJASA-N 1 2 325.456 3.794 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@H]1CC[C@@H](C)O1 ZINC000191433098 1036383604 /nfs/dbraw/zinc/38/36/04/1036383604.db2.gz FFLFVIKPOMRFTE-VXGBXAGGSA-N 1 2 348.306 3.527 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@H]1CC[C@@H](C)O1 ZINC000191433098 1036383624 /nfs/dbraw/zinc/38/36/24/1036383624.db2.gz FFLFVIKPOMRFTE-VXGBXAGGSA-N 1 2 348.306 3.527 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000541550096 1036441097 /nfs/dbraw/zinc/44/10/97/1036441097.db2.gz VYPAJLOFIYFFJE-HXUWFJFHSA-N 1 2 337.398 3.894 20 0 EHADLO c1nnc([C@@H]([NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)c2cccnc2)[nH]1 ZINC000572713666 1036465638 /nfs/dbraw/zinc/46/56/38/1036465638.db2.gz MDVVXYYEMCEGCE-HOJAQTOUSA-N 1 2 347.466 3.853 20 0 EHADLO Fc1ccc(CCNc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000572773516 1036515082 /nfs/dbraw/zinc/51/50/82/1036515082.db2.gz TXNYVEVDFNNSCD-UHFFFAOYSA-N 1 2 348.849 3.966 20 0 EHADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000464502778 1036516503 /nfs/dbraw/zinc/51/65/03/1036516503.db2.gz RYHVBUYOMZJZNF-WOLCWHLNSA-N 1 2 345.516 3.948 20 0 EHADLO CC(C)(C)n1nnnc1C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000464502778 1036516513 /nfs/dbraw/zinc/51/65/13/1036516513.db2.gz RYHVBUYOMZJZNF-WOLCWHLNSA-N 1 2 345.516 3.948 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000192513096 1036523454 /nfs/dbraw/zinc/52/34/54/1036523454.db2.gz OJFBWYZFFXRWSX-HXUWFJFHSA-N 1 2 331.419 3.517 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000192513096 1036523466 /nfs/dbraw/zinc/52/34/66/1036523466.db2.gz OJFBWYZFFXRWSX-HXUWFJFHSA-N 1 2 331.419 3.517 20 0 EHADLO O=C(/C=C/C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000493015064 1036525837 /nfs/dbraw/zinc/52/58/37/1036525837.db2.gz JDCLHGALOCJQMU-VOTSOKGWSA-N 1 2 329.831 3.532 20 0 EHADLO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]Cc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000414305521 1036558436 /nfs/dbraw/zinc/55/84/36/1036558436.db2.gz NMGMTGPHSFLXIY-HKUYNNGSSA-N 1 2 347.466 3.758 20 0 EHADLO Cn1nc(C[NH2+]Cc2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000589642939 1036573740 /nfs/dbraw/zinc/57/37/40/1036573740.db2.gz QPMOJRZLPQZLHQ-UHFFFAOYSA-N 1 2 334.448 3.987 20 0 EHADLO c1ccc2c(c1)[nH]nc2C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000589650061 1036580167 /nfs/dbraw/zinc/58/01/67/1036580167.db2.gz XKMFYDKTMQBTKA-UHFFFAOYSA-N 1 2 349.434 3.893 20 0 EHADLO O[C@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)C(F)F ZINC000493057560 1036594800 /nfs/dbraw/zinc/59/48/00/1036594800.db2.gz LRTVBUBGEDQIPG-HUUCEWRRSA-N 1 2 347.739 3.923 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176383138 1036610706 /nfs/dbraw/zinc/61/07/06/1036610706.db2.gz RQYGQVUFOKRXHK-NVXWUHKLSA-N 1 2 343.471 3.535 20 0 EHADLO Cc1cc(O[C@@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)ncn1 ZINC001203411867 1036659717 /nfs/dbraw/zinc/65/97/17/1036659717.db2.gz AWKFNLUOKBBBJT-CYBMUJFWSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)ncn1 ZINC001203411867 1036659723 /nfs/dbraw/zinc/65/97/23/1036659723.db2.gz AWKFNLUOKBBBJT-CYBMUJFWSA-N 1 2 335.810 3.621 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)ccc1SC ZINC000414322249 1036671721 /nfs/dbraw/zinc/67/17/21/1036671721.db2.gz GPOIXZGJTIVWPN-JTQLQIEISA-N 1 2 335.498 3.997 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc2nccc(C)c12 ZINC000589955206 1036679866 /nfs/dbraw/zinc/67/98/66/1036679866.db2.gz ISUDSIQCCHJSQM-CYBMUJFWSA-N 1 2 340.452 3.656 20 0 EHADLO c1ccc(NC2CCN(Cc3noc(C4CCCCC4)n3)CC2)[nH+]c1 ZINC000535577306 1036692535 /nfs/dbraw/zinc/69/25/35/1036692535.db2.gz VLLSHWWQULLHKF-UHFFFAOYSA-N 1 2 341.459 3.589 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590100782 1036754242 /nfs/dbraw/zinc/75/42/42/1036754242.db2.gz MPIQWFJMXFULHS-ROUUACIJSA-N 1 2 344.503 3.840 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N(CC1CC1)C1CCCCC1 ZINC000590163755 1036779885 /nfs/dbraw/zinc/77/98/85/1036779885.db2.gz DUOBURNVDRJTOS-UHFFFAOYSA-N 1 2 341.499 3.757 20 0 EHADLO CC(C)(CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000590163137 1036781210 /nfs/dbraw/zinc/78/12/10/1036781210.db2.gz GKHONISPZZIZIR-MRXNPFEDSA-N 1 2 340.471 3.667 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000464817225 1036831154 /nfs/dbraw/zinc/83/11/54/1036831154.db2.gz GHZRTJCRPUZENY-DOTOQJQBSA-N 1 2 342.439 3.772 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2ccccc2o1 ZINC000464817225 1036831165 /nfs/dbraw/zinc/83/11/65/1036831165.db2.gz GHZRTJCRPUZENY-DOTOQJQBSA-N 1 2 342.439 3.772 20 0 EHADLO CC(C)c1cc(Br)cc(O[C@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218278017 1036898319 /nfs/dbraw/zinc/89/83/19/1036898319.db2.gz JXBBLLFHCFKIBB-CYBMUJFWSA-N 1 2 334.204 3.949 20 0 EHADLO Clc1cccc2c1C[C@@H]([NH2+][C@H](c1nnc[nH]1)c1ccccc1)CC2 ZINC000666355620 1036909400 /nfs/dbraw/zinc/90/94/00/1036909400.db2.gz SYQJRWRIJBGLSW-YJBOKZPZSA-N 1 2 338.842 3.695 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2ncccn2)c2cc(Br)ccc21 ZINC000572976710 1036915400 /nfs/dbraw/zinc/91/54/00/1036915400.db2.gz XTLLELDODKIWJF-AWEZNQCLSA-N 1 2 332.245 3.751 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001168189209 1037007296 /nfs/dbraw/zinc/00/72/96/1037007296.db2.gz QVCVDEDXDVENDG-CYBMUJFWSA-N 1 2 328.834 3.686 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590727016 1037008124 /nfs/dbraw/zinc/00/81/24/1037008124.db2.gz HRLUGZZETHFIMT-IBGZPJMESA-N 1 2 325.456 3.768 20 0 EHADLO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000539651891 1037024539 /nfs/dbraw/zinc/02/45/39/1037024539.db2.gz XQRTZBYTCBUSNL-QAPCUYQASA-N 1 2 348.487 3.668 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)s1 ZINC000414369950 1037061887 /nfs/dbraw/zinc/06/18/87/1037061887.db2.gz KOKOMLCCZNKRJK-MRXNPFEDSA-N 1 2 349.521 3.749 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)s1 ZINC000414369950 1037061907 /nfs/dbraw/zinc/06/19/07/1037061907.db2.gz KOKOMLCCZNKRJK-MRXNPFEDSA-N 1 2 349.521 3.749 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000053235313 1037069460 /nfs/dbraw/zinc/06/94/60/1037069460.db2.gz MHVMXZKIKPWXER-NSHDSACASA-N 1 2 333.844 3.602 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000053235313 1037069478 /nfs/dbraw/zinc/06/94/78/1037069478.db2.gz MHVMXZKIKPWXER-NSHDSACASA-N 1 2 333.844 3.602 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccc(C)cc1 ZINC000761508576 1037079524 /nfs/dbraw/zinc/07/95/24/1037079524.db2.gz VHCGFEANASGRFJ-UHFFFAOYSA-N 1 2 330.501 3.863 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590846982 1037081937 /nfs/dbraw/zinc/08/19/37/1037081937.db2.gz CQQISEDAWFMMMT-ZWKOTPCHSA-N 1 2 326.444 3.771 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590871113 1037108690 /nfs/dbraw/zinc/10/86/90/1037108690.db2.gz OBHMXXNEBUWWIW-KSZLIROESA-N 1 2 332.492 3.835 20 0 EHADLO CCc1noc(C)c1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000351019713 1037123441 /nfs/dbraw/zinc/12/34/41/1037123441.db2.gz GJSMWWDQHPXOCM-UHFFFAOYSA-N 1 2 335.367 3.507 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414380729 1037155391 /nfs/dbraw/zinc/15/53/91/1037155391.db2.gz JNEYHGYBCZNHJE-INIZCTEOSA-N 1 2 349.521 3.667 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414380729 1037155398 /nfs/dbraw/zinc/15/53/98/1037155398.db2.gz JNEYHGYBCZNHJE-INIZCTEOSA-N 1 2 349.521 3.667 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1cccc2ccccc21 ZINC000105204248 1037156802 /nfs/dbraw/zinc/15/68/02/1037156802.db2.gz ZKDGZTKETZCJGF-UHFFFAOYSA-N 1 2 348.450 3.926 20 0 EHADLO Cc1ccc(Nc2ccccc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000573032376 1037163151 /nfs/dbraw/zinc/16/31/51/1037163151.db2.gz NMZRNXMLWNETEY-INIZCTEOSA-N 1 2 334.423 3.754 20 0 EHADLO C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(C)(C)C ZINC000472604259 1037176735 /nfs/dbraw/zinc/17/67/35/1037176735.db2.gz OSCOWEIQPDCPJR-ILXRZTDVSA-N 1 2 340.508 3.849 20 0 EHADLO C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(C)(C)C ZINC000472604259 1037176744 /nfs/dbraw/zinc/17/67/44/1037176744.db2.gz OSCOWEIQPDCPJR-ILXRZTDVSA-N 1 2 340.508 3.849 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)[C@@H](C)C2 ZINC000539813219 1037228379 /nfs/dbraw/zinc/22/83/79/1037228379.db2.gz ALLGZCBNXNLNHZ-ORAYPTAESA-N 1 2 336.414 3.942 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)[C@@H](C)C2 ZINC000539813219 1037228396 /nfs/dbraw/zinc/22/83/96/1037228396.db2.gz ALLGZCBNXNLNHZ-ORAYPTAESA-N 1 2 336.414 3.942 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000539831896 1037258228 /nfs/dbraw/zinc/25/82/28/1037258228.db2.gz JMOWLFJYQADJBF-INIZCTEOSA-N 1 2 349.496 3.900 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000539831896 1037258246 /nfs/dbraw/zinc/25/82/46/1037258246.db2.gz JMOWLFJYQADJBF-INIZCTEOSA-N 1 2 349.496 3.900 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000539849007 1037280002 /nfs/dbraw/zinc/28/00/02/1037280002.db2.gz HIOXWKJSUVKXGM-LBPRGKRZSA-N 1 2 349.862 3.892 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000539849007 1037280010 /nfs/dbraw/zinc/28/00/10/1037280010.db2.gz HIOXWKJSUVKXGM-LBPRGKRZSA-N 1 2 349.862 3.892 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414392334 1037290783 /nfs/dbraw/zinc/29/07/83/1037290783.db2.gz FMJBQOGMRJOOPD-CYBMUJFWSA-N 1 2 329.531 3.800 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414392334 1037290795 /nfs/dbraw/zinc/29/07/95/1037290795.db2.gz FMJBQOGMRJOOPD-CYBMUJFWSA-N 1 2 329.531 3.800 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H](C)O1 ZINC000573123378 1037294054 /nfs/dbraw/zinc/29/40/54/1037294054.db2.gz GKPIUKYIOVYBJD-VVWQDTPRSA-N 1 2 342.483 3.671 20 0 EHADLO O=C(/C=C/C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000493375554 1037303744 /nfs/dbraw/zinc/30/37/44/1037303744.db2.gz ZBGHMCKSTWMWLB-CMDGGOBGSA-N 1 2 327.472 3.672 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC000539887821 1037326923 /nfs/dbraw/zinc/32/69/23/1037326923.db2.gz ZEAKQOPHFYUICQ-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC000539887821 1037326932 /nfs/dbraw/zinc/32/69/32/1037326932.db2.gz ZEAKQOPHFYUICQ-KGLIPLIRSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ncc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c2ccccc21 ZINC001168201180 1037351525 /nfs/dbraw/zinc/35/15/25/1037351525.db2.gz JMCOROJEVVJGSM-UHFFFAOYSA-N 1 2 344.455 3.796 20 0 EHADLO COc1ncc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c2ccccc21 ZINC001168201180 1037351538 /nfs/dbraw/zinc/35/15/38/1037351538.db2.gz JMCOROJEVVJGSM-UHFFFAOYSA-N 1 2 344.455 3.796 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591385242 1037364059 /nfs/dbraw/zinc/36/40/59/1037364059.db2.gz UKYDOWBQSRCYFH-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591385242 1037364066 /nfs/dbraw/zinc/36/40/66/1037364066.db2.gz UKYDOWBQSRCYFH-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000493462447 1037373136 /nfs/dbraw/zinc/37/31/36/1037373136.db2.gz YRPNHOLHLXHRNS-BQYQJAHWSA-N 1 2 349.356 3.881 20 0 EHADLO Brc1cncc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000301363961 1037374478 /nfs/dbraw/zinc/37/44/78/1037374478.db2.gz MYDANBHKZKOMTR-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO CC1CC[NH+](CCCCNc2nc(-c3ccccc3)ns2)CC1 ZINC000462778187 1037377113 /nfs/dbraw/zinc/37/71/13/1037377113.db2.gz JTFCUSMCWAYNBH-UHFFFAOYSA-N 1 2 330.501 3.551 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000591379379 1037379741 /nfs/dbraw/zinc/37/97/41/1037379741.db2.gz UVPONLVHKFCDEW-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO C[C@H]1CCC[N@H+](CCCCNc2nc(-c3ccccc3)ns2)C1 ZINC000462790314 1037402561 /nfs/dbraw/zinc/40/25/61/1037402561.db2.gz UHXPHMAGIWCUGY-HNNXBMFYSA-N 1 2 330.501 3.551 20 0 EHADLO C[C@H]1CCC[N@@H+](CCCCNc2nc(-c3ccccc3)ns2)C1 ZINC000462790314 1037402568 /nfs/dbraw/zinc/40/25/68/1037402568.db2.gz UHXPHMAGIWCUGY-HNNXBMFYSA-N 1 2 330.501 3.551 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000493495260 1037416106 /nfs/dbraw/zinc/41/61/06/1037416106.db2.gz VCKCGPKRAOMRFB-JLHYYAGUSA-N 1 2 349.459 3.854 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Cc2ccccc2Cl)c1C ZINC000151595921 1037431714 /nfs/dbraw/zinc/43/17/14/1037431714.db2.gz URFBMTCZYLQZHU-LBPRGKRZSA-N 1 2 346.858 3.855 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000892669019 1037499129 /nfs/dbraw/zinc/49/91/29/1037499129.db2.gz UPDYOANAZRBKHY-AWEZNQCLSA-N 1 2 335.400 3.677 20 0 EHADLO Cc1ccc(/C=C\C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000491530241 1037524849 /nfs/dbraw/zinc/52/48/49/1037524849.db2.gz AFMNNZVHSWPBLJ-HLRDLLSLSA-N 1 2 340.423 3.633 20 0 EHADLO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505369 1037533181 /nfs/dbraw/zinc/53/31/81/1037533181.db2.gz HAEDRWSLPJXDFU-KBPBESRZSA-N 1 2 330.925 3.535 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccc(Br)cn3)nc2c1 ZINC000516829949 1037546079 /nfs/dbraw/zinc/54/60/79/1037546079.db2.gz GDBBEDZOXFQRDH-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(Br)cn3)[nH]c2c1 ZINC000516829949 1037546094 /nfs/dbraw/zinc/54/60/94/1037546094.db2.gz GDBBEDZOXFQRDH-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)sc1-c1ccccc1 ZINC000151544615 1037635687 /nfs/dbraw/zinc/63/56/87/1037635687.db2.gz FPBCWPLZDBEUPQ-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000007855617 1037648486 /nfs/dbraw/zinc/64/84/86/1037648486.db2.gz KHUHUXNGQOKYOR-SFHVURJKSA-N 1 2 336.439 3.975 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000007855617 1037648489 /nfs/dbraw/zinc/64/84/89/1037648489.db2.gz KHUHUXNGQOKYOR-SFHVURJKSA-N 1 2 336.439 3.975 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](C)CC3CCCC3)c(=S)o2)cc1 ZINC000058207514 1037654479 /nfs/dbraw/zinc/65/44/79/1037654479.db2.gz QJGLYUZXFZZJOZ-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](C)CC3CCCC3)c(=S)o2)cc1 ZINC000058207514 1037654487 /nfs/dbraw/zinc/65/44/87/1037654487.db2.gz QJGLYUZXFZZJOZ-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H](c1ccccc1)C1CC1 ZINC000171602540 1037723849 /nfs/dbraw/zinc/72/38/49/1037723849.db2.gz VZNBOWMFZWULBD-IBGZPJMESA-N 1 2 338.455 3.724 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000666639813 1037732723 /nfs/dbraw/zinc/73/27/23/1037732723.db2.gz FYESPMUAJRSDPB-UHFFFAOYSA-N 1 2 341.430 3.758 20 0 EHADLO Cc1ccccc1O[C@H](C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000463072539 1037738879 /nfs/dbraw/zinc/73/88/79/1037738879.db2.gz WHVPAYNUTYTYSA-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1ccccc1O[C@H](C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000463072539 1037738889 /nfs/dbraw/zinc/73/88/89/1037738889.db2.gz WHVPAYNUTYTYSA-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCC[C@H](F)C1)Cc1ccccc1Cl ZINC000573686771 1037742234 /nfs/dbraw/zinc/74/22/34/1037742234.db2.gz UDNXLRMUORKRPU-GJZGRUSLSA-N 1 2 326.843 3.559 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCC[C@H](F)C1)Cc1ccccc1Cl ZINC000573686771 1037742257 /nfs/dbraw/zinc/74/22/57/1037742257.db2.gz UDNXLRMUORKRPU-GJZGRUSLSA-N 1 2 326.843 3.559 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCC[C@@H](F)C1)Cc1ccccc1Cl ZINC000573686770 1037743901 /nfs/dbraw/zinc/74/39/01/1037743901.db2.gz UDNXLRMUORKRPU-CABCVRRESA-N 1 2 326.843 3.559 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCC[C@@H](F)C1)Cc1ccccc1Cl ZINC000573686770 1037743915 /nfs/dbraw/zinc/74/39/15/1037743915.db2.gz UDNXLRMUORKRPU-CABCVRRESA-N 1 2 326.843 3.559 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(Br)o1 ZINC000030217144 1037745336 /nfs/dbraw/zinc/74/53/36/1037745336.db2.gz VBTIBRAZTYNOGT-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(Br)o1 ZINC000030217144 1037745352 /nfs/dbraw/zinc/74/53/52/1037745352.db2.gz VBTIBRAZTYNOGT-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO Cn1c(C[N@H+](C)Cc2cccc3[nH]ccc32)nnc1-c1ccccc1 ZINC000493998289 1037760400 /nfs/dbraw/zinc/76/04/00/1037760400.db2.gz CNYSBLFFVYLMLP-UHFFFAOYSA-N 1 2 331.423 3.595 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2cccc3[nH]ccc32)nnc1-c1ccccc1 ZINC000493998289 1037760423 /nfs/dbraw/zinc/76/04/23/1037760423.db2.gz CNYSBLFFVYLMLP-UHFFFAOYSA-N 1 2 331.423 3.595 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1-c1ccccc1 ZINC000613684976 1037797054 /nfs/dbraw/zinc/79/70/54/1037797054.db2.gz LKTWCZPNQIUJBQ-WOJBJXKFSA-N 1 2 345.446 3.815 20 0 EHADLO CC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)Cc1ccoc1 ZINC000085791908 1037800325 /nfs/dbraw/zinc/80/03/25/1037800325.db2.gz BQSKHMPMFQPPRK-UHFFFAOYSA-N 1 2 342.361 3.965 20 0 EHADLO CC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)Cc1ccoc1 ZINC000085791908 1037800337 /nfs/dbraw/zinc/80/03/37/1037800337.db2.gz BQSKHMPMFQPPRK-UHFFFAOYSA-N 1 2 342.361 3.965 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]C2(c3ccccc3OC)CC2)c1 ZINC000592144271 1037845784 /nfs/dbraw/zinc/84/57/84/1037845784.db2.gz BBPHOXUJRAIUNC-UHFFFAOYSA-N 1 2 345.826 3.914 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000152533726 1037850381 /nfs/dbraw/zinc/85/03/81/1037850381.db2.gz CTDZJAKVDMBJNU-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000152533726 1037850398 /nfs/dbraw/zinc/85/03/98/1037850398.db2.gz CTDZJAKVDMBJNU-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000378080988 1037857632 /nfs/dbraw/zinc/85/76/32/1037857632.db2.gz VZPCAGWBNBKKBW-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000378080988 1037857649 /nfs/dbraw/zinc/85/76/49/1037857649.db2.gz VZPCAGWBNBKKBW-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081474 1037858115 /nfs/dbraw/zinc/85/81/15/1037858115.db2.gz YMSHSAWJNDACAA-CVEARBPZSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081474 1037858133 /nfs/dbraw/zinc/85/81/33/1037858133.db2.gz YMSHSAWJNDACAA-CVEARBPZSA-N 1 2 329.831 3.573 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000187929083 1037875773 /nfs/dbraw/zinc/87/57/73/1037875773.db2.gz RHLSUBJPVOPSCP-AWEZNQCLSA-N 1 2 337.769 3.626 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000187929083 1037875780 /nfs/dbraw/zinc/87/57/80/1037875780.db2.gz RHLSUBJPVOPSCP-AWEZNQCLSA-N 1 2 337.769 3.626 20 0 EHADLO COCCC1(c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)CCCC1 ZINC000924098272 1037896964 /nfs/dbraw/zinc/89/69/64/1037896964.db2.gz MUMWDAFOXNSLIU-OAHLLOKOSA-N 1 2 332.448 3.750 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119383964 1037897928 /nfs/dbraw/zinc/89/79/28/1037897928.db2.gz YCLIWOVCPSYVAR-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000119516882 1037905019 /nfs/dbraw/zinc/90/50/19/1037905019.db2.gz QERZBUNDUPDPBC-SJCJKPOMSA-N 1 2 347.409 3.627 20 0 EHADLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000506461027 1037913081 /nfs/dbraw/zinc/91/30/81/1037913081.db2.gz ZFSWBHUIPJKJNF-ICFOKQHNSA-N 1 2 338.426 3.687 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000666647338 1037915575 /nfs/dbraw/zinc/91/55/75/1037915575.db2.gz HPRTXTDPHOCOMC-BFYDXBDKSA-N 1 2 330.472 3.671 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)n1 ZINC000540431613 1037950441 /nfs/dbraw/zinc/95/04/41/1037950441.db2.gz ABBQVYFNAWJWJT-UHFFFAOYSA-N 1 2 330.453 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H](C)O1 ZINC000666647829 1037964652 /nfs/dbraw/zinc/96/46/52/1037964652.db2.gz POWIPEKTOVCKGU-DARIXABFSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H](C)O1 ZINC000666647829 1037964669 /nfs/dbraw/zinc/96/46/69/1037964669.db2.gz POWIPEKTOVCKGU-DARIXABFSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1cccs1 ZINC000540470856 1037998722 /nfs/dbraw/zinc/99/87/22/1037998722.db2.gz JQSBBEYULXQQFJ-CABCVRRESA-N 1 2 346.471 3.896 20 0 EHADLO CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162308484 1038020923 /nfs/dbraw/zinc/02/09/23/1038020923.db2.gz XUFFIOOWUGBOQH-KRWDZBQOSA-N 1 2 341.459 3.856 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000123659540 1038052807 /nfs/dbraw/zinc/05/28/07/1038052807.db2.gz SUWFYEQIQPGENI-RDTXWAMCSA-N 1 2 347.409 3.594 20 0 EHADLO COc1ccc2oc([C@@H](C)NC(=O)CCCn3cc[nH+]c3)c(C)c2c1 ZINC000592643039 1038076336 /nfs/dbraw/zinc/07/63/36/1038076336.db2.gz JGNKDCJDXJFGHK-CQSZACIVSA-N 1 2 341.411 3.604 20 0 EHADLO C[C@@H](C(=O)OCc1ccc2ncccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000760986738 1038076655 /nfs/dbraw/zinc/07/66/55/1038076655.db2.gz SKKAQQGMTXQYLE-INIZCTEOSA-N 1 2 346.430 3.725 20 0 EHADLO C[C@@H](C(=O)OCc1ccc2ncccc2c1)[N@H+]1CCc2ccccc2C1 ZINC000760986738 1038076680 /nfs/dbraw/zinc/07/66/80/1038076680.db2.gz SKKAQQGMTXQYLE-INIZCTEOSA-N 1 2 346.430 3.725 20 0 EHADLO CC(=O)OC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000180278692 1038116282 /nfs/dbraw/zinc/11/62/82/1038116282.db2.gz CHDIIZSPVOOYAJ-UHFFFAOYSA-N 1 2 346.652 3.630 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729617854 1038194070 /nfs/dbraw/zinc/19/40/70/1038194070.db2.gz UXLJJHFCSBXZCZ-LJQANCHMSA-N 1 2 334.423 3.583 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccc2)nc1 ZINC000532641880 1038210046 /nfs/dbraw/zinc/21/00/46/1038210046.db2.gz WKLLIBCQADDVDX-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccc2)nc1 ZINC000532641880 1038210061 /nfs/dbraw/zinc/21/00/61/1038210061.db2.gz WKLLIBCQADDVDX-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1cccc(-c2nc(CC(=O)Nc3cc(C)[nH+]cc3C)cs2)c1 ZINC000378218160 1038236777 /nfs/dbraw/zinc/23/67/77/1038236777.db2.gz GOUUFELNOUSUSJ-UHFFFAOYSA-N 1 2 337.448 3.733 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000124855948 1038245753 /nfs/dbraw/zinc/24/57/53/1038245753.db2.gz VIQXFPHSLPTQCG-SFHVURJKSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000043136546 1038290764 /nfs/dbraw/zinc/29/07/64/1038290764.db2.gz ISYMULLJUXNIIQ-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(F)c1 ZINC000107178630 1038305195 /nfs/dbraw/zinc/30/51/95/1038305195.db2.gz GKHUUDARXCXMND-UHFFFAOYSA-N 1 2 327.403 3.531 20 0 EHADLO Cc1nccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000125477947 1038332765 /nfs/dbraw/zinc/33/27/65/1038332765.db2.gz MXLJRHPPDVKQTE-GOSISDBHSA-N 1 2 333.863 3.699 20 0 EHADLO Cc1nccn1CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000125477947 1038332771 /nfs/dbraw/zinc/33/27/71/1038332771.db2.gz MXLJRHPPDVKQTE-GOSISDBHSA-N 1 2 333.863 3.699 20 0 EHADLO Cc1[nH+]ccn1CCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000125477947 1038332781 /nfs/dbraw/zinc/33/27/81/1038332781.db2.gz MXLJRHPPDVKQTE-GOSISDBHSA-N 1 2 333.863 3.699 20 0 EHADLO CC1(C)C[C@@H](c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)CCO1 ZINC000351196025 1038355051 /nfs/dbraw/zinc/35/50/51/1038355051.db2.gz UMLDFQQNTBOPIT-INIZCTEOSA-N 1 2 338.411 3.654 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1F ZINC000549409889 1038369994 /nfs/dbraw/zinc/36/99/94/1038369994.db2.gz RJZAMWMZDLPQQA-LJQANCHMSA-N 1 2 349.352 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1F ZINC000549409889 1038370006 /nfs/dbraw/zinc/37/00/06/1038370006.db2.gz RJZAMWMZDLPQQA-LJQANCHMSA-N 1 2 349.352 3.822 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001168359161 1038384003 /nfs/dbraw/zinc/38/40/03/1038384003.db2.gz OOQYVWGWAWXYHA-SIFUEBAJSA-N 1 2 341.455 3.625 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccccc1SCc1cccs1 ZINC000041816254 1038386601 /nfs/dbraw/zinc/38/66/01/1038386601.db2.gz MCWQYGMMBJSXLM-UHFFFAOYSA-N 1 2 343.477 3.667 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)c(C)[nH+]1 ZINC000667118884 1038447049 /nfs/dbraw/zinc/44/70/49/1038447049.db2.gz ACEKIOGCLVJUBS-IRXDYDNUSA-N 1 2 331.460 3.820 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000659944174 1038456744 /nfs/dbraw/zinc/45/67/44/1038456744.db2.gz RGYAVOQLGIWCGV-LLVKDONJSA-N 1 2 329.391 3.928 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000659944174 1038456747 /nfs/dbraw/zinc/45/67/47/1038456747.db2.gz RGYAVOQLGIWCGV-LLVKDONJSA-N 1 2 329.391 3.928 20 0 EHADLO COc1ccc2c(c1)CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C2 ZINC000667119429 1038458101 /nfs/dbraw/zinc/45/81/01/1038458101.db2.gz SOAGVEVRRSAWLM-UHFFFAOYSA-N 1 2 325.412 3.606 20 0 EHADLO COc1sc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1Br ZINC000538727291 1038494561 /nfs/dbraw/zinc/49/45/61/1038494561.db2.gz GVIHXTDHCCAEQP-RKDXNWHRSA-N 1 2 336.320 3.845 20 0 EHADLO COc1sc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1Br ZINC000538727291 1038494566 /nfs/dbraw/zinc/49/45/66/1038494566.db2.gz GVIHXTDHCCAEQP-RKDXNWHRSA-N 1 2 336.320 3.845 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccccc1N(C)C ZINC000538755323 1038517904 /nfs/dbraw/zinc/51/79/04/1038517904.db2.gz MGIMGHMKZSQKPK-UZLBHIALSA-N 1 2 334.467 3.926 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000108358593 1038540024 /nfs/dbraw/zinc/54/00/24/1038540024.db2.gz LOWWJZMOYYOTLJ-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000108358593 1038540029 /nfs/dbraw/zinc/54/00/29/1038540029.db2.gz LOWWJZMOYYOTLJ-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NCc3cccs3)CC2)c1 ZINC000538786754 1038540542 /nfs/dbraw/zinc/54/05/42/1038540542.db2.gz LQKBRRZOLOJFIH-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NCc3cccs3)CC2)c1 ZINC000538786754 1038540547 /nfs/dbraw/zinc/54/05/47/1038540547.db2.gz LQKBRRZOLOJFIH-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO COc1cc2c(cc1C[N@H+](C)Cc1cc(Cl)cn1C)O[C@@H](C)C2 ZINC000538812752 1038549178 /nfs/dbraw/zinc/54/91/78/1038549178.db2.gz DSFXEDMZMWADAB-LBPRGKRZSA-N 1 2 334.847 3.643 20 0 EHADLO COc1cc2c(cc1C[N@@H+](C)Cc1cc(Cl)cn1C)O[C@@H](C)C2 ZINC000538812752 1038549183 /nfs/dbraw/zinc/54/91/83/1038549183.db2.gz DSFXEDMZMWADAB-LBPRGKRZSA-N 1 2 334.847 3.643 20 0 EHADLO C[C@H](NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccn1C ZINC000182388623 1038591773 /nfs/dbraw/zinc/59/17/73/1038591773.db2.gz KSCCYWAAUPHOTH-YOEHRIQHSA-N 1 2 332.879 3.561 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000339172402 1038616660 /nfs/dbraw/zinc/61/66/60/1038616660.db2.gz YYGMNKFHYVYCSB-FPLPWBNLSA-N 1 2 338.436 3.618 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3ncn(C4CC4)c3=S)C2)c1 ZINC000182795831 1038637980 /nfs/dbraw/zinc/63/79/80/1038637980.db2.gz ATKPIJOWAKKRRQ-OAHLLOKOSA-N 1 2 328.485 3.813 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)c1 ZINC000182795831 1038637984 /nfs/dbraw/zinc/63/79/84/1038637984.db2.gz ATKPIJOWAKKRRQ-OAHLLOKOSA-N 1 2 328.485 3.813 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378608211 1038765396 /nfs/dbraw/zinc/76/53/96/1038765396.db2.gz MRNPZLBFFBQIFB-UHFFFAOYSA-N 1 2 329.403 3.720 20 0 EHADLO CCCCSCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035698 1038784039 /nfs/dbraw/zinc/78/40/39/1038784039.db2.gz DYJAZQKSDIXFOE-WKILWMFISA-N 1 2 335.517 3.844 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccncc2Cl)C3)cc1 ZINC000488033786 1038811346 /nfs/dbraw/zinc/81/13/46/1038811346.db2.gz RLSRFTJTQCAATI-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccncc2Cl)C3)cc1 ZINC000488033786 1038811370 /nfs/dbraw/zinc/81/13/70/1038811370.db2.gz RLSRFTJTQCAATI-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000378651753 1038830979 /nfs/dbraw/zinc/83/09/79/1038830979.db2.gz SMRITMIKXCABJM-IBGZPJMESA-N 1 2 331.419 3.810 20 0 EHADLO CSc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431554431 1038852012 /nfs/dbraw/zinc/85/20/12/1038852012.db2.gz BZXOXGGNMJUYKJ-UHFFFAOYSA-N 1 2 337.448 3.835 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000462213400 1038870509 /nfs/dbraw/zinc/87/05/09/1038870509.db2.gz XCLNOWXNRXFZIC-ZBFHGGJFSA-N 1 2 335.517 3.715 20 0 EHADLO CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000416685443 1038899384 /nfs/dbraw/zinc/89/93/84/1038899384.db2.gz NKQLUAHZMLEBAF-QZTJIDSGSA-N 1 2 340.471 3.555 20 0 EHADLO CC1CCN(c2nn(C[N@H+](C)C3CCCC3)c(=S)n2C2CC2)CC1 ZINC000192936169 1038913733 /nfs/dbraw/zinc/91/37/33/1038913733.db2.gz GODORUSRYBNMTI-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CC1CCN(c2nn(C[N@@H+](C)C3CCCC3)c(=S)n2C2CC2)CC1 ZINC000192936169 1038913747 /nfs/dbraw/zinc/91/37/47/1038913747.db2.gz GODORUSRYBNMTI-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000416697626 1038915782 /nfs/dbraw/zinc/91/57/82/1038915782.db2.gz VNQAQBKLRYCGMB-ROUUACIJSA-N 1 2 340.471 3.555 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCC[C@@]2(C1)Nc1cc(Cl)ccc1C(=O)N2C ZINC000570025700 1038919045 /nfs/dbraw/zinc/91/90/45/1038919045.db2.gz AIOQOURWPDNQIV-KZULUSFZSA-N 1 2 344.846 3.625 20 0 EHADLO CCCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H](CC)c1ccccc1 ZINC000416711855 1038921526 /nfs/dbraw/zinc/92/15/26/1038921526.db2.gz BTQRNMSANCVNLN-IBGZPJMESA-N 1 2 342.487 3.926 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000552085343 1038944623 /nfs/dbraw/zinc/94/46/23/1038944623.db2.gz AFWFNUXZVHAAJF-CJNGLKHVSA-N 1 2 327.428 3.929 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000552085343 1038944635 /nfs/dbraw/zinc/94/46/35/1038944635.db2.gz AFWFNUXZVHAAJF-CJNGLKHVSA-N 1 2 327.428 3.929 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000552085344 1038945198 /nfs/dbraw/zinc/94/51/98/1038945198.db2.gz AFWFNUXZVHAAJF-CZUORRHYSA-N 1 2 327.428 3.929 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000552085344 1038945207 /nfs/dbraw/zinc/94/52/07/1038945207.db2.gz AFWFNUXZVHAAJF-CZUORRHYSA-N 1 2 327.428 3.929 20 0 EHADLO C[C@H]1[N@H+](Cc2cncc(OCc3ccccc3)c2)CCOC1(C)C ZINC000488195613 1038953706 /nfs/dbraw/zinc/95/37/06/1038953706.db2.gz FZNBMFOKZPKVOK-MRXNPFEDSA-N 1 2 326.440 3.660 20 0 EHADLO C[C@H]1[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCOC1(C)C ZINC000488195613 1038953720 /nfs/dbraw/zinc/95/37/20/1038953720.db2.gz FZNBMFOKZPKVOK-MRXNPFEDSA-N 1 2 326.440 3.660 20 0 EHADLO CCOC[C@H](C)[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000488209028 1038966049 /nfs/dbraw/zinc/96/60/49/1038966049.db2.gz GNERABDPJVACQM-MAUKXSAKSA-N 1 2 337.423 3.841 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000477864809 1038973620 /nfs/dbraw/zinc/97/36/20/1038973620.db2.gz QLPIZKGLGNJRMM-OAHLLOKOSA-N 1 2 346.434 3.683 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000155519441 1038981638 /nfs/dbraw/zinc/98/16/38/1038981638.db2.gz FIWCLUVOAQVZKD-ZIAGYGMSSA-N 1 2 328.843 3.922 20 0 EHADLO Cc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1Cl ZINC000195446596 1038983232 /nfs/dbraw/zinc/98/32/32/1038983232.db2.gz ABWYCBDGZVDQCV-UHFFFAOYSA-N 1 2 345.874 3.864 20 0 EHADLO CC(C)n1ccn(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1=S ZINC000905676833 1039037484 /nfs/dbraw/zinc/03/74/84/1039037484.db2.gz DCYPGQUZMAVOAE-LBPRGKRZSA-N 1 2 337.386 3.924 20 0 EHADLO CC(C)n1ccn(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1=S ZINC000905676833 1039037504 /nfs/dbraw/zinc/03/75/04/1039037504.db2.gz DCYPGQUZMAVOAE-LBPRGKRZSA-N 1 2 337.386 3.924 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749951 1039038938 /nfs/dbraw/zinc/03/89/38/1039038938.db2.gz AWLCHIIQPUNALZ-WCBMZHEXSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749951 1039038958 /nfs/dbraw/zinc/03/89/58/1039038958.db2.gz AWLCHIIQPUNALZ-WCBMZHEXSA-N 1 2 333.297 3.655 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000367632693 1039055278 /nfs/dbraw/zinc/05/52/78/1039055278.db2.gz UJNYZBDWXPQIMK-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO CC(=O)c1ccsc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000905751388 1039057900 /nfs/dbraw/zinc/05/79/00/1039057900.db2.gz XADGFZMTKCINRS-UHFFFAOYSA-N 1 2 332.425 3.782 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905734722 1039068055 /nfs/dbraw/zinc/06/80/55/1039068055.db2.gz QGVHXSAIFAGZOL-GFCCVEGCSA-N 1 2 344.406 3.579 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905734722 1039068067 /nfs/dbraw/zinc/06/80/67/1039068067.db2.gz QGVHXSAIFAGZOL-GFCCVEGCSA-N 1 2 344.406 3.579 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000477977461 1039077340 /nfs/dbraw/zinc/07/73/40/1039077340.db2.gz TUHVWAITUDLXDI-IBGZPJMESA-N 1 2 346.434 3.993 20 0 EHADLO CC(C)CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000512417615 1039083127 /nfs/dbraw/zinc/08/31/27/1039083127.db2.gz DLKURZIKCLORMV-KRWDZBQOSA-N 1 2 344.503 3.661 20 0 EHADLO C[C@H]1[C@@H](C)N(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1C ZINC000416834687 1039100962 /nfs/dbraw/zinc/10/09/62/1039100962.db2.gz JFDQXWFBRIQUNZ-MGPQQGTHSA-N 1 2 336.505 3.637 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000477996314 1039106577 /nfs/dbraw/zinc/10/65/77/1039106577.db2.gz CXFHLONNHGVYAR-YOEHRIQHSA-N 1 2 327.428 3.919 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000552243993 1039107849 /nfs/dbraw/zinc/10/78/49/1039107849.db2.gz SVUIMTDVDDJSIQ-ZGUWOUCSSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000552243993 1039107859 /nfs/dbraw/zinc/10/78/59/1039107859.db2.gz SVUIMTDVDDJSIQ-ZGUWOUCSSA-N 1 2 325.399 3.592 20 0 EHADLO c1[nH]cc(CCc2nc(-c3ccccc3OCc3ccccc3)no2)[nH+]1 ZINC000438840413 1039138698 /nfs/dbraw/zinc/13/86/98/1039138698.db2.gz YYQZZBYLSMAVTE-UHFFFAOYSA-N 1 2 346.390 3.824 20 0 EHADLO CO[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCC1 ZINC000614053867 1039171899 /nfs/dbraw/zinc/17/18/99/1039171899.db2.gz CJFYZCSNMPTFJQ-SFHVURJKSA-N 1 2 339.439 3.640 20 0 EHADLO O[C@H](C[N@H+](Cc1csc(Cl)n1)C1CC1)c1ccc(F)cc1 ZINC000827973539 1039177016 /nfs/dbraw/zinc/17/70/16/1039177016.db2.gz JSJLAPJWPVBDBM-CQSZACIVSA-N 1 2 326.824 3.634 20 0 EHADLO O[C@H](C[N@@H+](Cc1csc(Cl)n1)C1CC1)c1ccc(F)cc1 ZINC000827973539 1039177031 /nfs/dbraw/zinc/17/70/31/1039177031.db2.gz JSJLAPJWPVBDBM-CQSZACIVSA-N 1 2 326.824 3.634 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)OC)cs1 ZINC000152036377 1039185937 /nfs/dbraw/zinc/18/59/37/1039185937.db2.gz DKQSIDALJJDHFE-SUMWQHHRSA-N 1 2 332.469 3.736 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000488489144 1039223445 /nfs/dbraw/zinc/22/34/45/1039223445.db2.gz SLOXZOBBWIFLSJ-OVWQWFNUSA-N 1 2 341.503 3.804 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000668514588 1039235708 /nfs/dbraw/zinc/23/57/08/1039235708.db2.gz KLZXIQQOQHKJMK-UHFFFAOYSA-N 1 2 329.362 3.676 20 0 EHADLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000061783005 1039237199 /nfs/dbraw/zinc/23/71/99/1039237199.db2.gz JPHQSUCNDXOWPZ-BETUJISGSA-N 1 2 328.909 3.728 20 0 EHADLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000061783005 1039237205 /nfs/dbraw/zinc/23/72/05/1039237205.db2.gz JPHQSUCNDXOWPZ-BETUJISGSA-N 1 2 328.909 3.728 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485606767 1039289834 /nfs/dbraw/zinc/28/98/34/1039289834.db2.gz JHCHPGGNQRHNIK-GFOJFJKKSA-N 1 2 349.478 3.630 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485590904 1039293157 /nfs/dbraw/zinc/29/31/57/1039293157.db2.gz DXYCUEZPEAKSCU-UAFMIMERSA-N 1 2 349.478 3.630 20 0 EHADLO Fc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1Cl ZINC000552460656 1039293471 /nfs/dbraw/zinc/29/34/71/1039293471.db2.gz NDCDSTWAVNMAJO-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO COCCC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000186134336 1039298012 /nfs/dbraw/zinc/29/80/12/1039298012.db2.gz MURNEZUTLOINJL-SNVBAGLBSA-N 1 2 346.240 3.761 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000512467801 1039311637 /nfs/dbraw/zinc/31/16/37/1039311637.db2.gz FVEDQWGFOAQVMS-CQSZACIVSA-N 1 2 329.271 3.730 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000512467801 1039311653 /nfs/dbraw/zinc/31/16/53/1039311653.db2.gz FVEDQWGFOAQVMS-CQSZACIVSA-N 1 2 329.271 3.730 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000480218458 1039316695 /nfs/dbraw/zinc/31/66/95/1039316695.db2.gz VIUVTAUMWRJKRG-RRQGHBQHSA-N 1 2 339.430 3.588 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000480218458 1039316713 /nfs/dbraw/zinc/31/67/13/1039316713.db2.gz VIUVTAUMWRJKRG-RRQGHBQHSA-N 1 2 339.430 3.588 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)sc1C ZINC000552514653 1039335098 /nfs/dbraw/zinc/33/50/98/1039335098.db2.gz JVMILWWHFFPUJP-CQSZACIVSA-N 1 2 347.459 3.581 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)sc1C ZINC000552514653 1039335118 /nfs/dbraw/zinc/33/51/18/1039335118.db2.gz JVMILWWHFFPUJP-CQSZACIVSA-N 1 2 347.459 3.581 20 0 EHADLO Cc1cnc(N2CC[NH+](Cc3cc4c(cccc4C)[nH]3)CC2)s1 ZINC000667654961 1039398110 /nfs/dbraw/zinc/39/81/10/1039398110.db2.gz REUAOUXBWDQHDJ-UHFFFAOYSA-N 1 2 326.469 3.563 20 0 EHADLO CC(=O)CCn1cc(C[N@H+](Cc2ccc(C)cc2C)CC(C)C)nn1 ZINC000906311093 1039464306 /nfs/dbraw/zinc/46/43/06/1039464306.db2.gz JZUBTNICQOZMJJ-UHFFFAOYSA-N 1 2 342.487 3.532 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+](Cc2ccc(C)cc2C)CC(C)C)nn1 ZINC000906311093 1039464325 /nfs/dbraw/zinc/46/43/25/1039464325.db2.gz JZUBTNICQOZMJJ-UHFFFAOYSA-N 1 2 342.487 3.532 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485724303 1039466915 /nfs/dbraw/zinc/46/69/15/1039466915.db2.gz RCCZQAGQLYLYCU-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485724303 1039466928 /nfs/dbraw/zinc/46/69/28/1039466928.db2.gz RCCZQAGQLYLYCU-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO COCc1csc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000667666692 1039493549 /nfs/dbraw/zinc/49/35/49/1039493549.db2.gz VIPNXVHTKWZPPV-SFHVURJKSA-N 1 2 335.444 3.916 20 0 EHADLO COCc1csc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000667666692 1039493561 /nfs/dbraw/zinc/49/35/61/1039493561.db2.gz VIPNXVHTKWZPPV-SFHVURJKSA-N 1 2 335.444 3.916 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485758962 1039499957 /nfs/dbraw/zinc/49/99/57/1039499957.db2.gz BHANIVBXHAJMTF-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485758962 1039499961 /nfs/dbraw/zinc/49/99/61/1039499961.db2.gz BHANIVBXHAJMTF-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@H](CSC)C1 ZINC000488960910 1039504219 /nfs/dbraw/zinc/50/42/19/1039504219.db2.gz NFYHATBWNSAGRI-CQSZACIVSA-N 1 2 344.480 3.991 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(C)c1 ZINC000500803806 1039518826 /nfs/dbraw/zinc/51/88/26/1039518826.db2.gz FRSIQJCFJUJUID-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(C)c1 ZINC000500803806 1039518841 /nfs/dbraw/zinc/51/88/41/1039518841.db2.gz FRSIQJCFJUJUID-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(C)c1 ZINC000500803805 1039520294 /nfs/dbraw/zinc/52/02/94/1039520294.db2.gz FRSIQJCFJUJUID-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(C)c1 ZINC000500803805 1039520312 /nfs/dbraw/zinc/52/03/12/1039520312.db2.gz FRSIQJCFJUJUID-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO COc1ccc(CCCN(C)c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000552844083 1039560840 /nfs/dbraw/zinc/56/08/40/1039560840.db2.gz OZVHHIZJHIBVNA-UHFFFAOYSA-N 1 2 340.471 3.545 20 0 EHADLO COc1ccc(CCCN(C)c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000552844083 1039560858 /nfs/dbraw/zinc/56/08/58/1039560858.db2.gz OZVHHIZJHIBVNA-UHFFFAOYSA-N 1 2 340.471 3.545 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000552847404 1039563002 /nfs/dbraw/zinc/56/30/02/1039563002.db2.gz XMPYOCNBTBUNOK-CQSZACIVSA-N 1 2 325.412 3.801 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c(C)[nH+]1 ZINC000906445638 1039568256 /nfs/dbraw/zinc/56/82/56/1039568256.db2.gz NAXNPTPNUYGQQK-ZDUSSCGKSA-N 1 2 339.464 3.978 20 0 EHADLO CO[C@@H](C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000419193298 1039577231 /nfs/dbraw/zinc/57/72/31/1039577231.db2.gz UNUADVFCOZHOQY-OALUTQOASA-N 1 2 349.434 3.841 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cccc(OCC(F)F)c2)c(C)[nH+]1 ZINC000906508932 1039605838 /nfs/dbraw/zinc/60/58/38/1039605838.db2.gz BBRLFZGVMICFPF-UHFFFAOYSA-N 1 2 334.366 3.581 20 0 EHADLO COc1ccc(CCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898902739 1039680908 /nfs/dbraw/zinc/68/09/08/1039680908.db2.gz SVWBGKFHFQZRCR-UHFFFAOYSA-N 1 2 343.471 3.546 20 0 EHADLO C[C@@H](c1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1)C(F)(F)F ZINC000898909248 1039696848 /nfs/dbraw/zinc/69/68/48/1039696848.db2.gz LVDIHHQHZFXHOF-LBPRGKRZSA-N 1 2 339.361 3.714 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3nc(Cl)sc3c2)c[nH+]1 ZINC000912128427 1039706576 /nfs/dbraw/zinc/70/65/76/1039706576.db2.gz LDAJFUFUEBAHRF-UHFFFAOYSA-N 1 2 334.832 3.828 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097494 1039734744 /nfs/dbraw/zinc/73/47/44/1039734744.db2.gz BHUBQVKFROOPOE-CRAIPNDOSA-N 1 2 334.423 3.639 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097494 1039734756 /nfs/dbraw/zinc/73/47/56/1039734756.db2.gz BHUBQVKFROOPOE-CRAIPNDOSA-N 1 2 334.423 3.639 20 0 EHADLO Cc1noc2nc(C3CC3)cc(C(=O)Nc3c(C)cc(C)[nH+]c3C)c12 ZINC000097214042 1039780671 /nfs/dbraw/zinc/78/06/71/1039780671.db2.gz MEHOJXSRIJYWEL-UHFFFAOYSA-N 1 2 336.395 3.981 20 0 EHADLO CSc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000651432254 1039781913 /nfs/dbraw/zinc/78/19/13/1039781913.db2.gz BEIBEMNPBVFWEQ-UHFFFAOYSA-N 1 2 335.860 3.776 20 0 EHADLO CC[N@@H+](Cc1cccc2c1NCCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000893879437 1039784985 /nfs/dbraw/zinc/78/49/85/1039784985.db2.gz GFHBXKHTQYYVOD-UHFFFAOYSA-N 1 2 348.450 3.716 20 0 EHADLO CC[N@H+](Cc1cccc2c1NCCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000893879437 1039785000 /nfs/dbraw/zinc/78/50/00/1039785000.db2.gz GFHBXKHTQYYVOD-UHFFFAOYSA-N 1 2 348.450 3.716 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)c2ccccc2c1 ZINC000549768147 1039817592 /nfs/dbraw/zinc/81/75/92/1039817592.db2.gz HZCAWBNMAAZKNS-UHFFFAOYSA-N 1 2 349.409 3.773 20 0 EHADLO Cc1cc(N2CCCCCC2)ccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000569257701 1039823986 /nfs/dbraw/zinc/82/39/86/1039823986.db2.gz FORVSBXCWRLIGF-UHFFFAOYSA-N 1 2 329.488 3.656 20 0 EHADLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893960874 1039861201 /nfs/dbraw/zinc/86/12/01/1039861201.db2.gz ZJXCVCWQALTEIO-CQSZACIVSA-N 1 2 344.402 3.851 20 0 EHADLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893960874 1039861226 /nfs/dbraw/zinc/86/12/26/1039861226.db2.gz ZJXCVCWQALTEIO-CQSZACIVSA-N 1 2 344.402 3.851 20 0 EHADLO CCSc1ccccc1CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000906988917 1039868416 /nfs/dbraw/zinc/86/84/16/1039868416.db2.gz WPDRNZNGRPQHMA-DOTOQJQBSA-N 1 2 343.496 3.647 20 0 EHADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805082 1039878544 /nfs/dbraw/zinc/87/85/44/1039878544.db2.gz FYLHWKMITILZAC-KSSFIOAISA-N 1 2 335.407 3.795 20 0 EHADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805082 1039878569 /nfs/dbraw/zinc/87/85/69/1039878569.db2.gz FYLHWKMITILZAC-KSSFIOAISA-N 1 2 335.407 3.795 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359497 1039896784 /nfs/dbraw/zinc/89/67/84/1039896784.db2.gz HWSITHGOQBDHNE-UKRRQHHQSA-N 1 2 330.501 3.505 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359497 1039896806 /nfs/dbraw/zinc/89/68/06/1039896806.db2.gz HWSITHGOQBDHNE-UKRRQHHQSA-N 1 2 330.501 3.505 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H](O)C(F)(F)F ZINC000554883858 1039906100 /nfs/dbraw/zinc/90/61/00/1039906100.db2.gz DMDRFBXMVRIRDT-JTQLQIEISA-N 1 2 335.675 3.714 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H](O)C(F)(F)F ZINC000554883858 1039906115 /nfs/dbraw/zinc/90/61/15/1039906115.db2.gz DMDRFBXMVRIRDT-JTQLQIEISA-N 1 2 335.675 3.714 20 0 EHADLO O=C(c1ccc(Cl)c(F)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927088331 1039911602 /nfs/dbraw/zinc/91/16/02/1039911602.db2.gz ZIAZWNSTCKDZLA-UHFFFAOYSA-N 1 2 333.794 3.591 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCc2occc21 ZINC000553269735 1039923939 /nfs/dbraw/zinc/92/39/39/1039923939.db2.gz JOUBDAHNWXSNRH-SJORKVTESA-N 1 2 335.407 3.719 20 0 EHADLO Cc1cc(C)c(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000893990825 1039925855 /nfs/dbraw/zinc/92/58/55/1039925855.db2.gz JTEPWGMTEULOKX-KRWDZBQOSA-N 1 2 339.464 3.662 20 0 EHADLO CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553294317 1039941725 /nfs/dbraw/zinc/94/17/25/1039941725.db2.gz KOBQLQVRMJWPPZ-MRXNPFEDSA-N 1 2 326.444 3.871 20 0 EHADLO Cn1cc[nH+]c1CC1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000109132859 1039956206 /nfs/dbraw/zinc/95/62/06/1039956206.db2.gz ZYMVOVICARNRRH-UHFFFAOYSA-N 1 2 342.468 3.591 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)C[NH+]4CC(C)(C)C4)cc3)nc12 ZINC000553336733 1039985267 /nfs/dbraw/zinc/98/52/67/1039985267.db2.gz GCZKBCIKNONEOF-UHFFFAOYSA-N 1 2 348.450 3.590 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(COc3ccccc3)c2)CC[S@]1=O ZINC000894036522 1039988574 /nfs/dbraw/zinc/98/85/74/1039988574.db2.gz IOHHFIGHXBDSAH-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(COc3ccccc3)c2)CC[S@]1=O ZINC000894036522 1039988586 /nfs/dbraw/zinc/98/85/86/1039988586.db2.gz IOHHFIGHXBDSAH-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3c2cccc3C(F)(F)F)c[nH+]1 ZINC000907371913 1040029919 /nfs/dbraw/zinc/02/99/19/1040029919.db2.gz AVXGGZQZQYKIOE-UHFFFAOYSA-N 1 2 337.345 3.535 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)c(C)[nH+]1 ZINC000907503311 1040076998 /nfs/dbraw/zinc/07/69/98/1040076998.db2.gz QTEIRKIZOAMGEB-OAQYLSRUSA-N 1 2 336.435 3.669 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907815228 1040182081 /nfs/dbraw/zinc/18/20/81/1040182081.db2.gz JQMDUXOKJQVYAU-VNQPRFMTSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907815228 1040182090 /nfs/dbraw/zinc/18/20/90/1040182090.db2.gz JQMDUXOKJQVYAU-VNQPRFMTSA-N 1 2 329.488 3.867 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000479388415 1040192193 /nfs/dbraw/zinc/19/21/93/1040192193.db2.gz WLFLNKLFHNILKF-CXMBCZLWSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000479388415 1040192213 /nfs/dbraw/zinc/19/22/13/1040192213.db2.gz WLFLNKLFHNILKF-CXMBCZLWSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1cnc2c(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cccc2c1Cl ZINC000912751906 1040220882 /nfs/dbraw/zinc/22/08/82/1040220882.db2.gz UQKIUQUWXWVEIS-LBPRGKRZSA-N 1 2 340.814 3.594 20 0 EHADLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2[nH+]ccc3c(N)cccc32)C1 ZINC000663873139 1040242976 /nfs/dbraw/zinc/24/29/76/1040242976.db2.gz WMMRKZAYMHXIFO-AZFSHXRASA-N 1 2 325.456 3.583 20 0 EHADLO CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000667493962 1040268009 /nfs/dbraw/zinc/26/80/09/1040268009.db2.gz JFJWLHZKVZVMGE-KBAYOESNSA-N 1 2 325.456 3.914 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH+]1CCN(c2cccnn2)CC1 ZINC000152129646 1040327952 /nfs/dbraw/zinc/32/79/52/1040327952.db2.gz LRIPWCTXTGQWJO-MRXNPFEDSA-N 1 2 349.265 3.593 20 0 EHADLO C[C@@H]1C[C@@H](CCNc2nc(C3CC3)ns2)C[N@@H+]1Cc1ccccc1 ZINC000511645357 1040357098 /nfs/dbraw/zinc/35/70/98/1040357098.db2.gz JUBARYGDXHYZHD-GDBMZVCRSA-N 1 2 342.512 3.550 20 0 EHADLO C[C@@H]1C[C@@H](CCNc2nc(C3CC3)ns2)C[N@H+]1Cc1ccccc1 ZINC000511645357 1040357116 /nfs/dbraw/zinc/35/71/16/1040357116.db2.gz JUBARYGDXHYZHD-GDBMZVCRSA-N 1 2 342.512 3.550 20 0 EHADLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c(F)c1 ZINC000668672044 1040369526 /nfs/dbraw/zinc/36/95/26/1040369526.db2.gz FFSXPIOEVUQGEX-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c(F)c1 ZINC000668672044 1040369544 /nfs/dbraw/zinc/36/95/44/1040369544.db2.gz FFSXPIOEVUQGEX-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000663908731 1040379790 /nfs/dbraw/zinc/37/97/90/1040379790.db2.gz XIPDLNGGBBFJTO-SBHAEUEKSA-N 1 2 345.446 3.826 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490230453 1040412427 /nfs/dbraw/zinc/41/24/27/1040412427.db2.gz NXNPJYJGTJDPAY-VUCTXSBTSA-N 1 2 339.430 3.540 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490230453 1040412442 /nfs/dbraw/zinc/41/24/42/1040412442.db2.gz NXNPJYJGTJDPAY-VUCTXSBTSA-N 1 2 339.430 3.540 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000418042070 1040495128 /nfs/dbraw/zinc/49/51/28/1040495128.db2.gz LDTUKNHMHMLWPF-INIZCTEOSA-N 1 2 341.352 3.818 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000418042070 1040495136 /nfs/dbraw/zinc/49/51/36/1040495136.db2.gz LDTUKNHMHMLWPF-INIZCTEOSA-N 1 2 341.352 3.818 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908565072 1040515636 /nfs/dbraw/zinc/51/56/36/1040515636.db2.gz MYAAUXKOQJAFOU-KRWDZBQOSA-N 1 2 340.471 3.860 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1sccc1-n1cccc1 ZINC000109281652 1040535955 /nfs/dbraw/zinc/53/59/55/1040535955.db2.gz GQOVGZVRAHEDCQ-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155252314 1040563922 /nfs/dbraw/zinc/56/39/22/1040563922.db2.gz OQEHOYJYFWOABX-QGZVFWFLSA-N 1 2 345.487 3.772 20 0 EHADLO NC(=O)c1csc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000364246406 1040565835 /nfs/dbraw/zinc/56/58/35/1040565835.db2.gz IKRLRHWFVJIZKS-UHFFFAOYSA-N 1 2 348.418 3.805 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000500129939 1040567354 /nfs/dbraw/zinc/56/73/54/1040567354.db2.gz PWLXRAWEXJBYGA-HZMBPMFUSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000500129939 1040567368 /nfs/dbraw/zinc/56/73/68/1040567368.db2.gz PWLXRAWEXJBYGA-HZMBPMFUSA-N 1 2 346.215 3.728 20 0 EHADLO CCCC1CCC(N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000479756222 1040574813 /nfs/dbraw/zinc/57/48/13/1040574813.db2.gz ZPQGVEWMIJEWMM-LXPRWKDFSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364303068 1040735276 /nfs/dbraw/zinc/73/52/76/1040735276.db2.gz MFUUDEVJTSWBJQ-UHFFFAOYSA-N 1 2 337.254 3.720 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364303068 1040735297 /nfs/dbraw/zinc/73/52/97/1040735297.db2.gz MFUUDEVJTSWBJQ-UHFFFAOYSA-N 1 2 337.254 3.720 20 0 EHADLO COc1ccc([C@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1F ZINC000913341911 1040739579 /nfs/dbraw/zinc/73/95/79/1040739579.db2.gz PNFPXZQOVSRZSA-INIZCTEOSA-N 1 2 342.414 3.784 20 0 EHADLO Cn1c[nH+]c2ccc(NC3(c4ccc(C(F)(F)F)cc4)COC3)cc21 ZINC001168376563 1040795766 /nfs/dbraw/zinc/79/57/66/1040795766.db2.gz QSUVTQUCSZDUGD-UHFFFAOYSA-N 1 2 347.340 3.930 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cc(Cl)ccc1Cl ZINC000411442672 1040864698 /nfs/dbraw/zinc/86/46/98/1040864698.db2.gz HIYUVRGCYZNZOG-VIFPVBQESA-N 1 2 348.251 3.841 20 0 EHADLO Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614266273 1040878145 /nfs/dbraw/zinc/87/81/45/1040878145.db2.gz PTGPWRLYEHACDQ-IAGOWNOFSA-N 1 2 332.407 3.533 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)NCCCOC ZINC000487556188 1040946544 /nfs/dbraw/zinc/94/65/44/1040946544.db2.gz HSNATEQRUBHOQB-OAHLLOKOSA-N 1 2 347.286 3.529 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)NCCCOC ZINC000487556188 1040946566 /nfs/dbraw/zinc/94/65/66/1040946566.db2.gz HSNATEQRUBHOQB-OAHLLOKOSA-N 1 2 347.286 3.529 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC1CC1)CC1CCC1 ZINC000614307939 1040994493 /nfs/dbraw/zinc/99/44/93/1040994493.db2.gz BZBGVEMIPJJKOA-IBGZPJMESA-N 1 2 337.467 3.970 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419276974 1041050145 /nfs/dbraw/zinc/05/01/45/1041050145.db2.gz GEUIQSRSUVRIBG-DOXZYTNZSA-N 1 2 344.455 3.661 20 0 EHADLO CCc1cccc(Cl)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000473483760 1041070940 /nfs/dbraw/zinc/07/09/40/1041070940.db2.gz OOVAWCPFKRJGKU-UHFFFAOYSA-N 1 2 331.847 3.746 20 0 EHADLO O=C(Nc1cc(O)c(F)cc1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000909981614 1041107895 /nfs/dbraw/zinc/10/78/95/1041107895.db2.gz UPGWAEQLVMEJPD-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cc(O)c(F)cc1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000909981614 1041107903 /nfs/dbraw/zinc/10/79/03/1041107903.db2.gz UPGWAEQLVMEJPD-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000487836062 1041137789 /nfs/dbraw/zinc/13/77/89/1041137789.db2.gz DYKNQYAZGSKOHK-PIKOESSRSA-N 1 2 349.478 3.559 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)ccc2Cl)c1C ZINC000433241124 1041143554 /nfs/dbraw/zinc/14/35/54/1041143554.db2.gz CPZYBYUSIQULDZ-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO CN(C)c1ccc(Nc2nc(Cl)ccc2Br)c[nH+]1 ZINC001175340631 1132644582 /nfs/dbraw/zinc/64/45/82/1132644582.db2.gz ALTVKJNKLDKVNP-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000433249354 1041159339 /nfs/dbraw/zinc/15/93/39/1041159339.db2.gz VVFQMEZKQKAUDI-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000433249354 1041159351 /nfs/dbraw/zinc/15/93/51/1041159351.db2.gz VVFQMEZKQKAUDI-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO CCCCN(C)C(=O)C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000571160059 1041208114 /nfs/dbraw/zinc/20/81/14/1041208114.db2.gz BWWKINVEHWCCJR-UHFFFAOYSA-N 1 2 343.446 3.849 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cs1 ZINC000433286272 1041220776 /nfs/dbraw/zinc/22/07/76/1041220776.db2.gz JDVVLBQOXADONH-ZDUSSCGKSA-N 1 2 335.860 3.744 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cs1 ZINC000433286272 1041220793 /nfs/dbraw/zinc/22/07/93/1041220793.db2.gz JDVVLBQOXADONH-ZDUSSCGKSA-N 1 2 335.860 3.744 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)NCc1cccs1 ZINC000433314025 1041258022 /nfs/dbraw/zinc/25/80/22/1041258022.db2.gz SXAXXNKBSSGKET-AWEZNQCLSA-N 1 2 334.872 3.507 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)NCc1cccs1 ZINC000433314025 1041258039 /nfs/dbraw/zinc/25/80/39/1041258039.db2.gz SXAXXNKBSSGKET-AWEZNQCLSA-N 1 2 334.872 3.507 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571295954 1041258422 /nfs/dbraw/zinc/25/84/22/1041258422.db2.gz FFGCDLRTNGOALE-JTQLQIEISA-N 1 2 341.333 3.645 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571295954 1041258441 /nfs/dbraw/zinc/25/84/41/1041258441.db2.gz FFGCDLRTNGOALE-JTQLQIEISA-N 1 2 341.333 3.645 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000052074444 1041267462 /nfs/dbraw/zinc/26/74/62/1041267462.db2.gz WYCKDTBCLZCGCZ-KGLIPLIRSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000052074444 1041267475 /nfs/dbraw/zinc/26/74/75/1041267475.db2.gz WYCKDTBCLZCGCZ-KGLIPLIRSA-N 1 2 332.394 3.835 20 0 EHADLO CC(C)(C)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000571345986 1041272762 /nfs/dbraw/zinc/27/27/62/1041272762.db2.gz YEEOOJYUMWSFQB-DLBZAZTESA-N 1 2 341.455 3.960 20 0 EHADLO CC(C)(C)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000571345986 1041272775 /nfs/dbraw/zinc/27/27/75/1041272775.db2.gz YEEOOJYUMWSFQB-DLBZAZTESA-N 1 2 341.455 3.960 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@H](OC(C)C)c2ccccc2)C2CC2)no1 ZINC000433322602 1041278601 /nfs/dbraw/zinc/27/86/01/1041278601.db2.gz RHNQOUSEOLHMOE-PKOBYXMFSA-N 1 2 329.444 3.759 20 0 EHADLO CCC[N@H+](Cc1cc(OC)ns1)[C@H](C)C(=O)Nc1ccccc1C ZINC000660430568 1041300276 /nfs/dbraw/zinc/30/02/76/1041300276.db2.gz DLOPIOVAPICRKM-CQSZACIVSA-N 1 2 347.484 3.699 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)ns1)[C@H](C)C(=O)Nc1ccccc1C ZINC000660430568 1041300288 /nfs/dbraw/zinc/30/02/88/1041300288.db2.gz DLOPIOVAPICRKM-CQSZACIVSA-N 1 2 347.484 3.699 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000660437637 1041363084 /nfs/dbraw/zinc/36/30/84/1041363084.db2.gz MCGCKLJUTVTNFY-QGZVFWFLSA-N 1 2 342.443 3.583 20 0 EHADLO COc1cccc(C)c1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000195007253 1041365109 /nfs/dbraw/zinc/36/51/09/1041365109.db2.gz HCLWHKSFKCBXFK-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](C)[C@H](C)[C@@H]3C)s2)cc1 ZINC000419337705 1041412544 /nfs/dbraw/zinc/41/25/44/1041412544.db2.gz BNBFSGFJJQIBCP-IHRRRGAJSA-N 1 2 344.484 3.575 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](C)[C@H](C)[C@@H]3C)s2)cc1 ZINC000419337705 1041412553 /nfs/dbraw/zinc/41/25/53/1041412553.db2.gz BNBFSGFJJQIBCP-IHRRRGAJSA-N 1 2 344.484 3.575 20 0 EHADLO Cc1cccc2nc(C3CCN(c4nccn5c[nH+]cc45)CC3)oc21 ZINC000893374801 1041425378 /nfs/dbraw/zinc/42/53/78/1041425378.db2.gz SUGKDJCLVFLHGN-UHFFFAOYSA-N 1 2 333.395 3.563 20 0 EHADLO CCN(CC)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000109628110 1041459944 /nfs/dbraw/zinc/45/99/44/1041459944.db2.gz GEGDJWDSUWJERU-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000511730491 1041484701 /nfs/dbraw/zinc/48/47/01/1041484701.db2.gz SMPQJYNBMHPCTK-UHFFFAOYSA-N 1 2 341.846 3.941 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000111311104 1041546260 /nfs/dbraw/zinc/54/62/60/1041546260.db2.gz NBSCLJUVKGOZBK-HNNXBMFYSA-N 1 2 333.432 3.539 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000111311104 1041546267 /nfs/dbraw/zinc/54/62/67/1041546267.db2.gz NBSCLJUVKGOZBK-HNNXBMFYSA-N 1 2 333.432 3.539 20 0 EHADLO CC[C@@H](CC(F)F)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000660554594 1041662319 /nfs/dbraw/zinc/66/23/19/1041662319.db2.gz XIGIBYDVVRBGGK-STQMWFEESA-N 1 2 326.435 3.994 20 0 EHADLO CC[C@@H](CC(F)F)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000660554594 1041662324 /nfs/dbraw/zinc/66/23/24/1041662324.db2.gz XIGIBYDVVRBGGK-STQMWFEESA-N 1 2 326.435 3.994 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccccc1Cl ZINC000660626441 1041731503 /nfs/dbraw/zinc/73/15/03/1041731503.db2.gz JWQUILDFIDJEFZ-AWEZNQCLSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccccc1Cl ZINC000660626441 1041731509 /nfs/dbraw/zinc/73/15/09/1041731509.db2.gz JWQUILDFIDJEFZ-AWEZNQCLSA-N 1 2 329.831 3.553 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)co1 ZINC000660671766 1041767083 /nfs/dbraw/zinc/76/70/83/1041767083.db2.gz NHRLRMLILLIPSU-UHFFFAOYSA-N 1 2 331.363 3.838 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)cc1OC ZINC000093075337 1041846632 /nfs/dbraw/zinc/84/66/32/1041846632.db2.gz JGRLPCBUKMXOLN-SNVBAGLBSA-N 1 2 336.432 3.639 20 0 EHADLO Brc1nc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cs1 ZINC001137581982 1041903610 /nfs/dbraw/zinc/90/36/10/1041903610.db2.gz LLIMUJIBCFNHAT-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1nc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cs1 ZINC001137581982 1041903613 /nfs/dbraw/zinc/90/36/13/1041903613.db2.gz LLIMUJIBCFNHAT-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(CCc2ccccc2)CC1 ZINC000125302339 1041934405 /nfs/dbraw/zinc/93/44/05/1041934405.db2.gz XRLJKSKMVPSAIQ-UHFFFAOYSA-N 1 2 325.456 3.535 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1 ZINC000661167992 1041983263 /nfs/dbraw/zinc/98/32/63/1041983263.db2.gz QZBCLOQHDLLEEM-AUUYWEPGSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1 ZINC000661167992 1041983269 /nfs/dbraw/zinc/98/32/69/1041983269.db2.gz QZBCLOQHDLLEEM-AUUYWEPGSA-N 1 2 327.428 3.607 20 0 EHADLO CC(C)c1noc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741688 1041983522 /nfs/dbraw/zinc/98/35/22/1041983522.db2.gz MWYWRCSUFYNRSK-AWEZNQCLSA-N 1 2 348.878 3.725 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514857 1042161274 /nfs/dbraw/zinc/16/12/74/1042161274.db2.gz VIDIIIYTWSXEJR-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514857 1042161278 /nfs/dbraw/zinc/16/12/78/1042161278.db2.gz VIDIIIYTWSXEJR-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO COc1ccnc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000661546449 1042181283 /nfs/dbraw/zinc/18/12/83/1042181283.db2.gz FBENNROFXKYVIT-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ccnc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000661546449 1042181285 /nfs/dbraw/zinc/18/12/85/1042181285.db2.gz FBENNROFXKYVIT-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO CCn1nc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c2ccccc21 ZINC000473125937 1042226743 /nfs/dbraw/zinc/22/67/43/1042226743.db2.gz IPRYWCXZWYSQAY-HXUWFJFHSA-N 1 2 327.472 3.837 20 0 EHADLO CCn1nc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c2ccccc21 ZINC000473125937 1042226746 /nfs/dbraw/zinc/22/67/46/1042226746.db2.gz IPRYWCXZWYSQAY-HXUWFJFHSA-N 1 2 327.472 3.837 20 0 EHADLO Cc1ccc2[nH]c(C[N@H+](C)CC(=O)NCc3ccccc3)cc2c1C ZINC000473131505 1042250880 /nfs/dbraw/zinc/25/08/80/1042250880.db2.gz IQIWUSHMFISSSZ-UHFFFAOYSA-N 1 2 335.451 3.533 20 0 EHADLO Cc1ccc2[nH]c(C[N@@H+](C)CC(=O)NCc3ccccc3)cc2c1C ZINC000473131505 1042250885 /nfs/dbraw/zinc/25/08/85/1042250885.db2.gz IQIWUSHMFISSSZ-UHFFFAOYSA-N 1 2 335.451 3.533 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCO[C@H]1CCCCO1 ZINC000661736250 1042292384 /nfs/dbraw/zinc/29/23/84/1042292384.db2.gz NSONLWSPPIWUFT-ROUUACIJSA-N 1 2 337.435 3.521 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCO[C@H]1CCCCO1 ZINC000661736250 1042292390 /nfs/dbraw/zinc/29/23/90/1042292390.db2.gz NSONLWSPPIWUFT-ROUUACIJSA-N 1 2 337.435 3.521 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000652331053 1042378980 /nfs/dbraw/zinc/37/89/80/1042378980.db2.gz WRWVBRCKBRLCAO-AWEZNQCLSA-N 1 2 342.443 3.931 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000626235093 1042394047 /nfs/dbraw/zinc/39/40/47/1042394047.db2.gz YZJFOXOYRLTJAD-MOPGFXCFSA-N 1 2 343.471 3.563 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)s1 ZINC000662050545 1042483123 /nfs/dbraw/zinc/48/31/23/1042483123.db2.gz QRFJXWWCRXUQAD-ZDUSSCGKSA-N 1 2 329.469 3.767 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nccs1 ZINC000184409916 1042530457 /nfs/dbraw/zinc/53/04/57/1042530457.db2.gz MTMUMYVWADALAI-RYUDHWBXSA-N 1 2 337.876 3.667 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)no1 ZINC000662155767 1042549643 /nfs/dbraw/zinc/54/96/43/1042549643.db2.gz NMMRFRHBNUTOHQ-INIZCTEOSA-N 1 2 339.361 3.994 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)no1 ZINC000662155767 1042549648 /nfs/dbraw/zinc/54/96/48/1042549648.db2.gz NMMRFRHBNUTOHQ-INIZCTEOSA-N 1 2 339.361 3.994 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC1=CCSC1 ZINC000662268915 1042644489 /nfs/dbraw/zinc/64/44/89/1042644489.db2.gz PXWZTMLAGFGJPH-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC1=CCSC1 ZINC000662268915 1042644491 /nfs/dbraw/zinc/64/44/91/1042644491.db2.gz PXWZTMLAGFGJPH-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCC[C@H]3n3cccn3)[nH+]cn2)C1 ZINC000432320376 1042854161 /nfs/dbraw/zinc/85/41/61/1042854161.db2.gz OFGMMLZMBMDKPG-IXDOHACOSA-N 1 2 340.475 3.505 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCC[C@H]3n3cccn3)nc[nH+]2)C1 ZINC000432320376 1042854166 /nfs/dbraw/zinc/85/41/66/1042854166.db2.gz OFGMMLZMBMDKPG-IXDOHACOSA-N 1 2 340.475 3.505 20 0 EHADLO c1nc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)sc1C1OCCO1 ZINC000278896419 1042866393 /nfs/dbraw/zinc/86/63/93/1042866393.db2.gz ILBKVJAMASHIAN-OAHLLOKOSA-N 1 2 345.468 3.701 20 0 EHADLO c1nc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)sc1C1OCCO1 ZINC000278896419 1042866396 /nfs/dbraw/zinc/86/63/96/1042866396.db2.gz ILBKVJAMASHIAN-OAHLLOKOSA-N 1 2 345.468 3.701 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000343938022 1042882571 /nfs/dbraw/zinc/88/25/71/1042882571.db2.gz VEXBTQSQUNSCSW-YJBOKZPZSA-N 1 2 341.455 3.504 20 0 EHADLO CSc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066962660 1042883316 /nfs/dbraw/zinc/88/33/16/1042883316.db2.gz YBOYPPGZLWHGBS-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1cc(F)ccc1F ZINC000007788642 1042915715 /nfs/dbraw/zinc/91/57/15/1042915715.db2.gz MXDDBGYVGHZWPA-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1cc(F)ccc1F ZINC000007788642 1042915719 /nfs/dbraw/zinc/91/57/19/1042915719.db2.gz MXDDBGYVGHZWPA-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000893615092 1042917320 /nfs/dbraw/zinc/91/73/20/1042917320.db2.gz WQCHSUZJYXCUAC-KRWDZBQOSA-N 1 2 349.496 3.761 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cc(Br)cs1 ZINC000393444723 1043055952 /nfs/dbraw/zinc/05/59/52/1043055952.db2.gz XXTPWEJKRKXYBM-ZETCQYMHSA-N 1 2 334.670 3.748 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278945243 1043062207 /nfs/dbraw/zinc/06/22/07/1043062207.db2.gz NVWZBULASKRXSG-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO O=C(C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1)N1CCCC1 ZINC000344028195 1043132155 /nfs/dbraw/zinc/13/21/55/1043132155.db2.gz MHLCHZXGAPUVBH-UHFFFAOYSA-N 1 2 341.282 3.795 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000279009450 1043185183 /nfs/dbraw/zinc/18/51/83/1043185183.db2.gz KTOXBRJOMRQQAP-DLBZAZTESA-N 1 2 343.471 3.618 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000279011029 1043189210 /nfs/dbraw/zinc/18/92/10/1043189210.db2.gz UIKHLEUHGJLRGG-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO Cc1cc2cc(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc2[nH]1 ZINC000344113551 1043268684 /nfs/dbraw/zinc/26/86/84/1043268684.db2.gz LVSJTCLAXAFKAN-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000093079467 1043317213 /nfs/dbraw/zinc/31/72/13/1043317213.db2.gz UISSOPGHVFRKBM-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000093079467 1043317221 /nfs/dbraw/zinc/31/72/21/1043317221.db2.gz UISSOPGHVFRKBM-FQEVSTJZSA-N 1 2 327.424 3.667 20 0 EHADLO COC[C@@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccccc1 ZINC000663658066 1043317342 /nfs/dbraw/zinc/31/73/42/1043317342.db2.gz JDNDNILMPRBQHD-CYBMUJFWSA-N 1 2 336.233 3.656 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000093079470 1043318252 /nfs/dbraw/zinc/31/82/52/1043318252.db2.gz UISSOPGHVFRKBM-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000093079470 1043318258 /nfs/dbraw/zinc/31/82/58/1043318258.db2.gz UISSOPGHVFRKBM-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)cc1 ZINC000279096641 1043346076 /nfs/dbraw/zinc/34/60/76/1043346076.db2.gz UXLIAHGRAXYLDH-AEFFLSMTSA-N 1 2 346.434 3.594 20 0 EHADLO CC(C)[C@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000344187016 1043391089 /nfs/dbraw/zinc/39/10/89/1043391089.db2.gz ZMBRIFROXYSQKT-UZLBHIALSA-N 1 2 348.450 3.884 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000893641031 1043391811 /nfs/dbraw/zinc/39/18/11/1043391811.db2.gz RLLOJRJWYULXGF-CQSZACIVSA-N 1 2 336.785 3.569 20 0 EHADLO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000344252509 1043520404 /nfs/dbraw/zinc/52/04/04/1043520404.db2.gz RJSMMYHMOYFGCW-BRWVUGGUSA-N 1 2 349.425 3.589 20 0 EHADLO COC[C@@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccc(C)o1 ZINC000663680786 1043543563 /nfs/dbraw/zinc/54/35/63/1043543563.db2.gz ARWDHOGSENRRBG-LLVKDONJSA-N 1 2 340.221 3.557 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccccc4Cl)C3)n2c1 ZINC000093081383 1043714553 /nfs/dbraw/zinc/71/45/53/1043714553.db2.gz ZTRQFIJSAAICNN-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1cnc(C)s1 ZINC000050930421 1043763119 /nfs/dbraw/zinc/76/31/19/1043763119.db2.gz QMCQHJAGXYZUFP-UHFFFAOYSA-N 1 2 341.436 3.813 20 0 EHADLO O=C(CCC(=O)c1cccs1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162696102 1043766082 /nfs/dbraw/zinc/76/60/82/1043766082.db2.gz YSVPYYBVJVEBCS-UHFFFAOYSA-N 1 2 325.393 3.740 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000344370579 1043780514 /nfs/dbraw/zinc/78/05/14/1043780514.db2.gz IPBXMNDAYIFZTL-PBHICJAKSA-N 1 2 339.501 3.581 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000344370579 1043780527 /nfs/dbraw/zinc/78/05/27/1043780527.db2.gz IPBXMNDAYIFZTL-PBHICJAKSA-N 1 2 339.501 3.581 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC3(CCCC3=O)CC2)s1 ZINC000661958871 1043793064 /nfs/dbraw/zinc/79/30/64/1043793064.db2.gz ZEKAGLQHIPHHSJ-UHFFFAOYSA-N 1 2 332.391 3.806 20 0 EHADLO CC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744401 1043910518 /nfs/dbraw/zinc/91/05/18/1043910518.db2.gz DVDJVCLXDNQAHO-SJLPKXTDSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000663744401 1043910529 /nfs/dbraw/zinc/91/05/29/1043910529.db2.gz DVDJVCLXDNQAHO-SJLPKXTDSA-N 1 2 347.821 3.934 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000279342398 1043973091 /nfs/dbraw/zinc/97/30/91/1043973091.db2.gz ZEJIOELCUXEBOX-UHFFFAOYSA-N 1 2 329.469 3.614 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)NCCCCNc1cccc[nH+]1 ZINC000344411055 1043978505 /nfs/dbraw/zinc/97/85/05/1043978505.db2.gz CASGFMYAFLBQOK-UHFFFAOYSA-N 1 2 333.382 3.570 20 0 EHADLO O=C(CCCc1ccc(O)c(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000344494320 1044070181 /nfs/dbraw/zinc/07/01/81/1044070181.db2.gz HBFGBUZKHFCBIS-UHFFFAOYSA-N 1 2 339.370 3.678 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc[nH+]1 ZINC000010162868 1044102815 /nfs/dbraw/zinc/10/28/15/1044102815.db2.gz WHRYNMYQHDSHMX-NSHDSACASA-N 1 2 335.201 3.559 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C2CCC2)c1 ZINC000344540135 1044110152 /nfs/dbraw/zinc/11/01/52/1044110152.db2.gz BVQVPIGTTBJYAK-UHFFFAOYSA-N 1 2 335.451 3.879 20 0 EHADLO Cc1cnc([C@@H]([NH2+]Cc2ccc(Br)cn2)C2CC2)s1 ZINC000344546645 1044115300 /nfs/dbraw/zinc/11/53/00/1044115300.db2.gz UXXYCARROCEPJD-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279539549 1044197726 /nfs/dbraw/zinc/19/77/26/1044197726.db2.gz PYGCDNRVLAIQFN-UONOGXRCSA-N 1 2 337.427 3.596 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000344643463 1044220098 /nfs/dbraw/zinc/22/00/98/1044220098.db2.gz VOOOMIQPNSXDQX-UHFFFAOYSA-N 1 2 347.875 3.995 20 0 EHADLO Cc1cc(Nc2cc(CO)c(F)cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000663781928 1044446717 /nfs/dbraw/zinc/44/67/17/1044446717.db2.gz ZJIFTSMBCKLRJM-CYBMUJFWSA-N 1 2 330.407 3.539 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000279831465 1044724656 /nfs/dbraw/zinc/72/46/56/1044724656.db2.gz ZAKSGRCWKGTVAO-UHFFFAOYSA-N 1 2 335.398 3.547 20 0 EHADLO COc1c(Br)cc(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001211712669 1044744832 /nfs/dbraw/zinc/74/48/32/1044744832.db2.gz SMEZMGGSYFFWSK-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cnc3ccccc3c2)c1 ZINC000345004381 1044809630 /nfs/dbraw/zinc/80/96/30/1044809630.db2.gz AHOYADROUZIUPM-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001137560565 1137123353 /nfs/dbraw/zinc/12/33/53/1137123353.db2.gz CIDCBDMABBMORA-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001137560565 1137123355 /nfs/dbraw/zinc/12/33/55/1137123355.db2.gz CIDCBDMABBMORA-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000153759554 1125657370 /nfs/dbraw/zinc/65/73/70/1125657370.db2.gz HTQQBPSLRISVKX-SJORKVTESA-N 1 2 325.456 3.764 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1nnc(-c2ccccc2)s1 ZINC000155086875 1125784742 /nfs/dbraw/zinc/78/47/42/1125784742.db2.gz HBLDAGUEZRZNRT-UHFFFAOYSA-N 1 2 325.437 3.716 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1nnc(-c2ccccc2)s1 ZINC000155086875 1125784750 /nfs/dbraw/zinc/78/47/50/1125784750.db2.gz HBLDAGUEZRZNRT-UHFFFAOYSA-N 1 2 325.437 3.716 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984751 1126728940 /nfs/dbraw/zinc/72/89/40/1126728940.db2.gz LPIDXPQNJQBANU-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984751 1126728942 /nfs/dbraw/zinc/72/89/42/1126728942.db2.gz LPIDXPQNJQBANU-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO O=C(NCc1cc(C2CC2)ccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000622628705 1126733237 /nfs/dbraw/zinc/73/32/37/1126733237.db2.gz IDPMNENXPDNOLL-UHFFFAOYSA-N 1 2 349.409 3.878 20 0 EHADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000171119273 1126751732 /nfs/dbraw/zinc/75/17/32/1126751732.db2.gz ZOEYKNQENINOIM-QAPCUYQASA-N 1 2 336.435 3.841 20 0 EHADLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000171176122 1126754849 /nfs/dbraw/zinc/75/48/49/1126754849.db2.gz VFTSHMXFRLRFCI-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000185086006 1126755101 /nfs/dbraw/zinc/75/51/01/1126755101.db2.gz SJBJZGGKWHSJPD-JTQLQIEISA-N 1 2 339.208 3.848 20 0 EHADLO CCOc1nnc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000622836672 1126793243 /nfs/dbraw/zinc/79/32/43/1126793243.db2.gz IFSIHGBIJGBWCX-WBVHZDCISA-N 1 2 347.484 3.537 20 0 EHADLO CCOc1nnc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000622836672 1126793246 /nfs/dbraw/zinc/79/32/46/1126793246.db2.gz IFSIHGBIJGBWCX-WBVHZDCISA-N 1 2 347.484 3.537 20 0 EHADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cscn1 ZINC000172997192 1126821729 /nfs/dbraw/zinc/82/17/29/1126821729.db2.gz RNFOAIVSUZGMST-UHFFFAOYSA-N 1 2 341.274 3.807 20 0 EHADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cscn1 ZINC000172997192 1126821734 /nfs/dbraw/zinc/82/17/34/1126821734.db2.gz RNFOAIVSUZGMST-UHFFFAOYSA-N 1 2 341.274 3.807 20 0 EHADLO Fc1cccc(-c2nnc(COc3cccc(-n4cc[nH+]c4)c3)o2)c1 ZINC000072674268 1126841062 /nfs/dbraw/zinc/84/10/62/1126841062.db2.gz IPFGWSSJUASSSF-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO CCC(=CC(=O)NNc1cc[nH+]cc1Cl)c1ccc(OC)cc1 ZINC000185258085 1126841172 /nfs/dbraw/zinc/84/11/72/1126841172.db2.gz TXMPYNCSWJZIBN-ZRDIBKRKSA-N 1 2 331.803 3.680 20 0 EHADLO CSc1nc2ccccc2c(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000622968245 1126845464 /nfs/dbraw/zinc/84/54/64/1126845464.db2.gz IVDADZFFCLLPGR-UHFFFAOYSA-N 1 2 340.452 3.881 20 0 EHADLO CCC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OCC ZINC000174349067 1126851638 /nfs/dbraw/zinc/85/16/38/1126851638.db2.gz MPYDKKJWKPAQOL-CEXWTWQISA-N 1 2 333.472 3.784 20 0 EHADLO Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(Br)c1 ZINC000082336041 1126878254 /nfs/dbraw/zinc/87/82/54/1126878254.db2.gz GYNYGROJFAIZLQ-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623253528 1126903194 /nfs/dbraw/zinc/90/31/94/1126903194.db2.gz CHVBNKUQIPZCQP-CYBMUJFWSA-N 1 2 339.361 3.902 20 0 EHADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCn1cc[nH+]c1 ZINC000623267850 1126906335 /nfs/dbraw/zinc/90/63/35/1126906335.db2.gz SFQSYBDQNIILQM-UHFFFAOYSA-N 1 2 326.227 3.629 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@H]3CCn4c[nH+]cc4C3)sc2c1 ZINC000623305513 1126911034 /nfs/dbraw/zinc/91/10/34/1126911034.db2.gz UFIUIFGPMWYZKU-NSHDSACASA-N 1 2 345.855 3.804 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000623291031 1126912051 /nfs/dbraw/zinc/91/20/51/1126912051.db2.gz VTXDJRTZKYIWIC-UHFFFAOYSA-N 1 2 338.238 3.776 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000623260281 1126908020 /nfs/dbraw/zinc/90/80/20/1126908020.db2.gz CQZNYBHWQDKECQ-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1Cl ZINC000623351915 1126928327 /nfs/dbraw/zinc/92/83/27/1126928327.db2.gz IXEGPCZGXVZAAQ-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1OC1CC1 ZINC000623442531 1126956762 /nfs/dbraw/zinc/95/67/62/1126956762.db2.gz QYDRIBUMIFXJOP-LBPRGKRZSA-N 1 2 348.468 3.690 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1(c2ccccc2)CCCC1 ZINC000177625763 1126985115 /nfs/dbraw/zinc/98/51/15/1126985115.db2.gz WUPFYMWDDWAFAB-UHFFFAOYSA-N 1 2 334.423 3.603 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000178459625 1127018567 /nfs/dbraw/zinc/01/85/67/1127018567.db2.gz PNCAYEBVCLMXGT-ZDUSSCGKSA-N 1 2 334.423 3.747 20 0 EHADLO c1cn(Cc2cccc(-c3noc([C@@H]4CCCSC4)n3)c2)c[nH+]1 ZINC000350415726 1127076123 /nfs/dbraw/zinc/07/61/23/1127076123.db2.gz NVUNODKEPWSCBZ-OAHLLOKOSA-N 1 2 326.425 3.592 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(C)cc(C)c1 ZINC000179892111 1127097988 /nfs/dbraw/zinc/09/79/88/1127097988.db2.gz CXOXIPDEARFHSN-CQSZACIVSA-N 1 2 330.403 3.740 20 0 EHADLO CCC(C)(C)OCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351194535 1127152281 /nfs/dbraw/zinc/15/22/81/1127152281.db2.gz CDXVECKOZANJQZ-UHFFFAOYSA-N 1 2 326.400 3.687 20 0 EHADLO Fc1ccc2occ(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000351362028 1127174428 /nfs/dbraw/zinc/17/44/28/1127174428.db2.gz HVKKOSGIZHAFTM-MLGOLLRUSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2occ(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000351362028 1127174430 /nfs/dbraw/zinc/17/44/30/1127174430.db2.gz HVKKOSGIZHAFTM-MLGOLLRUSA-N 1 2 343.358 3.548 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180625785 1127177619 /nfs/dbraw/zinc/17/76/19/1127177619.db2.gz FNFBCCCQLRBTEU-JSGCOSHPSA-N 1 2 345.443 3.940 20 0 EHADLO C[C@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000180833899 1127189390 /nfs/dbraw/zinc/18/93/90/1127189390.db2.gz VNSNYKWREYCSSA-IBUXWKBASA-N 1 2 332.797 3.922 20 0 EHADLO C[C@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000180833899 1127189392 /nfs/dbraw/zinc/18/93/92/1127189392.db2.gz VNSNYKWREYCSSA-IBUXWKBASA-N 1 2 332.797 3.922 20 0 EHADLO COc1cc2c(cc1C[NH2+]C1(c3c(F)cccc3F)CCC1)OCO2 ZINC000623844044 1127199348 /nfs/dbraw/zinc/19/93/48/1127199348.db2.gz CGAPWLMHTNDWOH-UHFFFAOYSA-N 1 2 347.361 3.871 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H]1CCCc3scnc31)O[C@H](C)C2 ZINC000623859190 1127199994 /nfs/dbraw/zinc/19/99/94/1127199994.db2.gz DZBBDDPYSFSZRP-RISCZKNCSA-N 1 2 330.453 3.642 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ncn(C)n1 ZINC000623965815 1127223727 /nfs/dbraw/zinc/22/37/27/1127223727.db2.gz WDLGKKTYKFFIMG-ZUZCIYMTSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000623992250 1127228539 /nfs/dbraw/zinc/22/85/39/1127228539.db2.gz IHPXOLTWGJGZAV-QMMMGPOBSA-N 1 2 328.313 3.691 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(C3CCOCC3)CC1)nc1ccccc12 ZINC000624060213 1127244182 /nfs/dbraw/zinc/24/41/82/1127244182.db2.gz TVOSEWVKVWHOSV-UHFFFAOYSA-N 1 2 336.439 3.526 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000181002559 1127263612 /nfs/dbraw/zinc/26/36/12/1127263612.db2.gz RIDRELFGQMJRGP-SJKOYZFVSA-N 1 2 333.407 3.937 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000181758670 1127294448 /nfs/dbraw/zinc/29/44/48/1127294448.db2.gz AWLPTDFEPFDZMG-LLVKDONJSA-N 1 2 338.785 3.585 20 0 EHADLO CC(C)COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nccc(N)n1 ZINC000181722156 1127291977 /nfs/dbraw/zinc/29/19/77/1127291977.db2.gz XHPLDMRJYXZOMO-KRWDZBQOSA-N 1 2 342.487 3.971 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3nnc(CC4CCCCC4)o3)n2c1 ZINC000181805607 1127297355 /nfs/dbraw/zinc/29/73/55/1127297355.db2.gz TZIANKFBHVFHQQ-UHFFFAOYSA-N 1 2 325.416 3.761 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](CCc2ccccc2)C(F)F)cc(C)[nH+]1 ZINC000624222860 1127319526 /nfs/dbraw/zinc/31/95/26/1127319526.db2.gz HPQJNVOTFOWLCM-QGZVFWFLSA-N 1 2 347.409 3.764 20 0 EHADLO c1ccc2c(c1)SCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182884150 1127352272 /nfs/dbraw/zinc/35/22/72/1127352272.db2.gz DDXYBHXNBBOZJC-MRXNPFEDSA-N 1 2 327.453 3.567 20 0 EHADLO Fc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000182909484 1127353657 /nfs/dbraw/zinc/35/36/57/1127353657.db2.gz ARZZJTTXYILTLR-OLMNPRSZSA-N 1 2 327.403 3.771 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000183084710 1127362394 /nfs/dbraw/zinc/36/23/94/1127362394.db2.gz ADQNSXVWOAYJRO-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@H]([NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)C(N)=O ZINC000183732464 1127385283 /nfs/dbraw/zinc/38/52/83/1127385283.db2.gz VXWZSHNSDRZFET-HOTGVXAUSA-N 1 2 337.250 3.936 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000184248325 1127399464 /nfs/dbraw/zinc/39/94/64/1127399464.db2.gz XMBQOPKGIYRXGQ-CXAGYDPISA-N 1 2 349.475 3.755 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)n1 ZINC000184138499 1127395567 /nfs/dbraw/zinc/39/55/67/1127395567.db2.gz GICICEJLIKWFRK-WMLDXEAASA-N 1 2 331.485 3.616 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184160228 1127396094 /nfs/dbraw/zinc/39/60/94/1127396094.db2.gz QSXDRTOFVODVDU-OLZOCXBDSA-N 1 2 333.457 3.528 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184472126 1127405364 /nfs/dbraw/zinc/40/53/64/1127405364.db2.gz SJXOYQKLEMCJFF-CYBMUJFWSA-N 1 2 331.485 3.754 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000184502590 1127407242 /nfs/dbraw/zinc/40/72/42/1127407242.db2.gz UTHSQUISEBDROI-MCIONIFRSA-N 1 2 337.533 3.596 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cs1 ZINC000184672948 1127411278 /nfs/dbraw/zinc/41/12/78/1127411278.db2.gz JUWJJXFFKHFJAF-KUHUBIRLSA-N 1 2 345.512 3.870 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(C)o1 ZINC000184731289 1127412650 /nfs/dbraw/zinc/41/26/50/1127412650.db2.gz KMAJLJCFSJEXGG-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)s1 ZINC000185020119 1127418709 /nfs/dbraw/zinc/41/87/09/1127418709.db2.gz POBWDMKLOMVZQL-BLZCZZARSA-N 1 2 335.517 3.672 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196500 1127434551 /nfs/dbraw/zinc/43/45/51/1127434551.db2.gz DZPNKPYETHLECT-RYUDHWBXSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196500 1127434554 /nfs/dbraw/zinc/43/45/54/1127434554.db2.gz DZPNKPYETHLECT-RYUDHWBXSA-N 1 2 332.341 3.735 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000325258266 1127453023 /nfs/dbraw/zinc/45/30/23/1127453023.db2.gz MXIWKEIJSNPCMT-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)cc(Cl)c1 ZINC000764212824 1127462902 /nfs/dbraw/zinc/46/29/02/1127462902.db2.gz PKSONATUEYRRFA-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO CCOc1ccc(N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000764549727 1127506101 /nfs/dbraw/zinc/50/61/01/1127506101.db2.gz JCDRODAEHDMVJU-UHFFFAOYSA-N 1 2 349.434 3.536 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000764783467 1127531001 /nfs/dbraw/zinc/53/10/01/1127531001.db2.gz MGYOOXFZGAWQBT-KBPBESRZSA-N 1 2 343.389 3.824 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C(C)(C)C ZINC000764878978 1127547471 /nfs/dbraw/zinc/54/74/71/1127547471.db2.gz LJBLSUYZTUELQZ-AWEZNQCLSA-N 1 2 348.516 3.854 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C(C)(C)C ZINC000764878978 1127547472 /nfs/dbraw/zinc/54/74/72/1127547472.db2.gz LJBLSUYZTUELQZ-AWEZNQCLSA-N 1 2 348.516 3.854 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2cccnc2)n(CC)c1=S)C1CC1 ZINC000764882813 1127547856 /nfs/dbraw/zinc/54/78/56/1127547856.db2.gz OUYJUJFIDVAJFV-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2cccnc2)n(CC)c1=S)C1CC1 ZINC000764882813 1127547859 /nfs/dbraw/zinc/54/78/59/1127547859.db2.gz OUYJUJFIDVAJFV-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)NCc2ccccc2)CC1 ZINC000764931876 1127554558 /nfs/dbraw/zinc/55/45/58/1127554558.db2.gz QNVOWBDTZFVKOD-HNNXBMFYSA-N 1 2 345.537 3.501 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765047882 1127569355 /nfs/dbraw/zinc/56/93/55/1127569355.db2.gz DMGPWSUPANWGCD-GJZGRUSLSA-N 1 2 330.501 3.955 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc(C(C)(C)C)cc2)c1C ZINC000765349932 1127603073 /nfs/dbraw/zinc/60/30/73/1127603073.db2.gz CIJNODMSTBIFCP-UHFFFAOYSA-N 1 2 340.467 3.863 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cn(-c3ccccc3)nn2)C2CC2)c(F)c1 ZINC001168540899 1127614521 /nfs/dbraw/zinc/61/45/21/1127614521.db2.gz FHGRYQLCHVKWMM-IBGZPJMESA-N 1 2 340.377 3.786 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171893211 1127620402 /nfs/dbraw/zinc/62/04/02/1127620402.db2.gz BBGNIRXQHQVSRS-UHFFFAOYSA-N 1 2 335.411 3.543 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000014923615 1127649354 /nfs/dbraw/zinc/64/93/54/1127649354.db2.gz MWOVQSSVDCVITM-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000014923615 1127649358 /nfs/dbraw/zinc/64/93/58/1127649358.db2.gz MWOVQSSVDCVITM-INIZCTEOSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000015294168 1127651728 /nfs/dbraw/zinc/65/17/28/1127651728.db2.gz GJVMVWRFJDQBIZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000015294168 1127651730 /nfs/dbraw/zinc/65/17/30/1127651730.db2.gz GJVMVWRFJDQBIZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000022289318 1127691256 /nfs/dbraw/zinc/69/12/56/1127691256.db2.gz XCPIGRFFNJJGJS-UHFFFAOYSA-N 1 2 345.468 3.780 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992324 1127701475 /nfs/dbraw/zinc/70/14/75/1127701475.db2.gz NJFAHABIEZNZBD-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992324 1127701478 /nfs/dbraw/zinc/70/14/78/1127701478.db2.gz NJFAHABIEZNZBD-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000765626893 1127712503 /nfs/dbraw/zinc/71/25/03/1127712503.db2.gz NMPSEUGWFVSZJT-LBPRGKRZSA-N 1 2 326.227 3.730 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000029253346 1127796950 /nfs/dbraw/zinc/79/69/50/1127796950.db2.gz YOURCSLQJOTVNF-GXTWGEPZSA-N 1 2 328.378 3.850 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000029253346 1127796952 /nfs/dbraw/zinc/79/69/52/1127796952.db2.gz YOURCSLQJOTVNF-GXTWGEPZSA-N 1 2 328.378 3.850 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000265598891 1127815486 /nfs/dbraw/zinc/81/54/86/1127815486.db2.gz BXJWMPAJZGGHDM-QWHCGFSZSA-N 1 2 339.361 3.600 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(Br)c1 ZINC000030609541 1127822392 /nfs/dbraw/zinc/82/23/92/1127822392.db2.gz VAHYWMPOFQVYFB-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO c1[nH+]cn2c1c(N1CC3(CCC3)[C@@H]1C1CCOCC1)nc1ccccc12 ZINC000624296739 1127819599 /nfs/dbraw/zinc/81/95/99/1127819599.db2.gz GQDWWPRIXNSPRH-IBGZPJMESA-N 1 2 348.450 3.668 20 0 EHADLO COC(=O)Cc1ccc(CNc2nc(C(C)(C)C)[nH+]c(C)c2C)cc1 ZINC001168566750 1127831269 /nfs/dbraw/zinc/83/12/69/1127831269.db2.gz RCUDIVWNHZLTAX-UHFFFAOYSA-N 1 2 341.455 3.719 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042297758 1127889567 /nfs/dbraw/zinc/88/95/67/1127889567.db2.gz ODOQFQPKAREXAD-IRXDYDNUSA-N 1 2 340.467 3.701 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042297758 1127889571 /nfs/dbraw/zinc/88/95/71/1127889571.db2.gz ODOQFQPKAREXAD-IRXDYDNUSA-N 1 2 340.467 3.701 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000172333648 1127902882 /nfs/dbraw/zinc/90/28/82/1127902882.db2.gz BSXKZVTWFONJBX-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000172333648 1127902885 /nfs/dbraw/zinc/90/28/85/1127902885.db2.gz BSXKZVTWFONJBX-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045611979 1127955957 /nfs/dbraw/zinc/95/59/57/1127955957.db2.gz OTJAGEJCBKOJFJ-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)c2ccncc2)CC1 ZINC000671699030 1128007395 /nfs/dbraw/zinc/00/73/95/1128007395.db2.gz GONWJOOREQPUTJ-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Clc1c(Nc2ccc[nH+]c2N2CCOCC2)ccc2cnccc21 ZINC001212364828 1128029754 /nfs/dbraw/zinc/02/97/54/1128029754.db2.gz UZBFYOAHZJNFPA-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)(C)c1ccc(CCNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376780 1128045568 /nfs/dbraw/zinc/04/55/68/1128045568.db2.gz REKDQNJEYGHXFR-UHFFFAOYSA-N 1 2 342.487 3.503 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000057359164 1128045835 /nfs/dbraw/zinc/04/58/35/1128045835.db2.gz PRKPEROECBDJNF-UHFFFAOYSA-N 1 2 341.436 3.513 20 0 EHADLO Clc1ccc2c(cccc2Nc2ccc[nH+]c2N2CCOCC2)n1 ZINC001212368644 1128058221 /nfs/dbraw/zinc/05/82/21/1128058221.db2.gz IINVZFZYROCSIW-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000347555530 1128077409 /nfs/dbraw/zinc/07/74/09/1128077409.db2.gz KXOBFYQOYHRYCW-HNNXBMFYSA-N 1 2 340.427 3.558 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000347555530 1128077412 /nfs/dbraw/zinc/07/74/12/1128077412.db2.gz KXOBFYQOYHRYCW-HNNXBMFYSA-N 1 2 340.427 3.558 20 0 EHADLO CC1(C)CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000060575049 1128108568 /nfs/dbraw/zinc/10/85/68/1128108568.db2.gz GOVZXLVSAALFNQ-QGZVFWFLSA-N 1 2 338.455 3.605 20 0 EHADLO Cc1cccc2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cn21 ZINC000060843361 1128114401 /nfs/dbraw/zinc/11/44/01/1128114401.db2.gz YEJHHWZGKIKTGF-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2Cl)nn1C ZINC000282249116 1128128349 /nfs/dbraw/zinc/12/83/49/1128128349.db2.gz QHHQAVIAKFMMHO-JTQLQIEISA-N 1 2 342.668 3.995 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000063483750 1128146108 /nfs/dbraw/zinc/14/61/08/1128146108.db2.gz VPHKMFOVCSNFLR-UHFFFAOYSA-N 1 2 343.471 3.839 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3c1OCCO3)[C@@H]2c1ccccc1 ZINC000064431937 1128168254 /nfs/dbraw/zinc/16/82/54/1128168254.db2.gz CMBJZJKVLTVEFQ-OAQYLSRUSA-N 1 2 346.430 3.865 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3c1OCCO3)[C@@H]2c1ccccc1 ZINC000064431937 1128168256 /nfs/dbraw/zinc/16/82/56/1128168256.db2.gz CMBJZJKVLTVEFQ-OAQYLSRUSA-N 1 2 346.430 3.865 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067818786 1128250869 /nfs/dbraw/zinc/25/08/69/1128250869.db2.gz XKOIZAKRIZVVGZ-MRXNPFEDSA-N 1 2 329.444 3.973 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@H]1COc2c1ccc(Cl)c2Cl)C1CC1 ZINC000671766340 1128261430 /nfs/dbraw/zinc/26/14/30/1128261430.db2.gz HKDIAAAQVBMDSH-JSGCOSHPSA-N 1 2 338.238 3.901 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000065829193 1128203776 /nfs/dbraw/zinc/20/37/76/1128203776.db2.gz JOKJAYXQSWYSDQ-HNNXBMFYSA-N 1 2 335.407 3.890 20 0 EHADLO COc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065863710 1128205458 /nfs/dbraw/zinc/20/54/58/1128205458.db2.gz NUYGJDOJGVLYRI-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1sccc1C1CC1 ZINC000067143096 1128235423 /nfs/dbraw/zinc/23/54/23/1128235423.db2.gz RRWKOMURDKCFQM-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C[C@H]1CCCO1 ZINC000067457319 1128241365 /nfs/dbraw/zinc/24/13/65/1128241365.db2.gz LVGRLCMNTFQFPH-LLVKDONJSA-N 1 2 342.226 3.654 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C[C@H]1CCCO1 ZINC000067457319 1128241367 /nfs/dbraw/zinc/24/13/67/1128241367.db2.gz LVGRLCMNTFQFPH-LLVKDONJSA-N 1 2 342.226 3.654 20 0 EHADLO CCCCS[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523797 1128243245 /nfs/dbraw/zinc/24/32/45/1128243245.db2.gz LWQBKTSYUASKDT-CYBMUJFWSA-N 1 2 335.448 3.549 20 0 EHADLO CC[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000073862462 1128330551 /nfs/dbraw/zinc/33/05/51/1128330551.db2.gz HMLZRRSPZSZEFW-GOSISDBHSA-N 1 2 333.435 3.855 20 0 EHADLO Cc1cc([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)ccc1N1CCOCC1 ZINC000765809543 1128420918 /nfs/dbraw/zinc/42/09/18/1128420918.db2.gz KRPRQYTYCGVFEK-MOPGFXCFSA-N 1 2 332.488 3.836 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C1CCCC1 ZINC000921651207 1128433082 /nfs/dbraw/zinc/43/30/82/1128433082.db2.gz CBEDLPCSJUAEFL-KRWDZBQOSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CC(C)(C)CO3)cc2)[nH+]c1C ZINC000921667326 1128447362 /nfs/dbraw/zinc/44/73/62/1128447362.db2.gz FCUCZQICTHJWGJ-MRXNPFEDSA-N 1 2 327.428 3.837 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)ccn1 ZINC000347639252 1128502805 /nfs/dbraw/zinc/50/28/05/1128502805.db2.gz KEDBEDNABFCJAL-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000055696751 1128527599 /nfs/dbraw/zinc/52/75/99/1128527599.db2.gz WADKVISYSAZBCY-QAPCUYQASA-N 1 2 349.434 3.838 20 0 EHADLO C[C@@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ncc[nH]1 ZINC000353523384 1128585458 /nfs/dbraw/zinc/58/54/58/1128585458.db2.gz TWZDKGJBONJJMG-RDTXWAMCSA-N 1 2 349.413 3.991 20 0 EHADLO Cc1nnc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)s1 ZINC000542811397 1128655899 /nfs/dbraw/zinc/65/58/99/1128655899.db2.gz MXWOAEXOCYDNTK-LBPRGKRZSA-N 1 2 342.237 3.525 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1nc(C2CC2)no1 ZINC000921741329 1128707347 /nfs/dbraw/zinc/70/73/47/1128707347.db2.gz RWMLOXMDCXZWKP-PXAZEXFGSA-N 1 2 327.428 3.757 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c2ccccc2n1 ZINC000921788118 1128764137 /nfs/dbraw/zinc/76/41/37/1128764137.db2.gz GFTZSAXIPMFGAI-UHFFFAOYSA-N 1 2 325.412 3.819 20 0 EHADLO Cn1nc2c(c1C[NH2+]C1(c3c(Cl)cccc3Cl)CC1)CCC2 ZINC000921841955 1128806399 /nfs/dbraw/zinc/80/63/99/1128806399.db2.gz VRQXDSNDOLPAQZ-UHFFFAOYSA-N 1 2 336.266 3.995 20 0 EHADLO CCC[C@H](C)CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000110878124 1128814153 /nfs/dbraw/zinc/81/41/53/1128814153.db2.gz YRRSTNBIBPVOQC-RBUKOAKNSA-N 1 2 346.515 3.562 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154531 1128818553 /nfs/dbraw/zinc/81/85/53/1128818553.db2.gz OOMBRHXPSLOLOB-OAHLLOKOSA-N 1 2 345.402 3.836 20 0 EHADLO Cc1c[nH+]c(CCNc2nc(-c3cccnc3)nc3c2CCC3)c(C)c1 ZINC000656211129 1128820025 /nfs/dbraw/zinc/82/00/25/1128820025.db2.gz PXVPZKNUZFZQMR-UHFFFAOYSA-N 1 2 345.450 3.694 20 0 EHADLO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933488 1128868343 /nfs/dbraw/zinc/86/83/43/1128868343.db2.gz OETADKNZVXNMOU-NHYWBVRUSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@H](C)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933488 1128868346 /nfs/dbraw/zinc/86/83/46/1128868346.db2.gz OETADKNZVXNMOU-NHYWBVRUSA-N 1 2 345.270 3.821 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001167110893 1120034256 /nfs/dbraw/zinc/03/42/56/1120034256.db2.gz RAQMSJVOHBDNDS-HNNXBMFYSA-N 1 2 326.444 3.591 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000152702640 1120048342 /nfs/dbraw/zinc/04/83/42/1120048342.db2.gz YCVIDLWOOIKODA-UHFFFAOYSA-N 1 2 329.293 3.865 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001670703193 1120103786 /nfs/dbraw/zinc/10/37/86/1120103786.db2.gz LBDATNPNZNRUAB-MRXNPFEDSA-N 1 2 344.503 3.566 20 0 EHADLO CC[C@@H](C)C[C@@H](C)Nc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001168694337 1128901730 /nfs/dbraw/zinc/90/17/30/1128901730.db2.gz MPAQXMVCNWFJNU-HUUCEWRRSA-N 1 2 328.460 3.703 20 0 EHADLO CCCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)CC1 ZINC000441451784 1120273323 /nfs/dbraw/zinc/27/33/23/1120273323.db2.gz SHSFLJJWBHEJHP-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)CC1 ZINC000441451784 1120273327 /nfs/dbraw/zinc/27/33/27/1120273327.db2.gz SHSFLJJWBHEJHP-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000149197486 1120327107 /nfs/dbraw/zinc/32/71/07/1120327107.db2.gz LOMQBPQDRGXTFZ-UHFFFAOYSA-N 1 2 336.439 3.963 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC2(CCOCC2)CC1 ZINC000672297140 1128909540 /nfs/dbraw/zinc/90/95/40/1128909540.db2.gz ZLGRAJYGYJFZEU-UHFFFAOYSA-N 1 2 326.440 3.949 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)c(C)c[nH+]1 ZINC000534325595 1120365759 /nfs/dbraw/zinc/36/57/59/1120365759.db2.gz ALNKQFALLTWNSR-UHFFFAOYSA-N 1 2 331.366 3.595 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[S@]1=O ZINC000185267645 1120406717 /nfs/dbraw/zinc/40/67/17/1120406717.db2.gz HCXFHSXMPYAIRQ-XMMPIXPASA-N 1 2 349.540 3.938 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[S@]1=O ZINC000185267645 1120406719 /nfs/dbraw/zinc/40/67/19/1120406719.db2.gz HCXFHSXMPYAIRQ-XMMPIXPASA-N 1 2 349.540 3.938 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186259912 1120451908 /nfs/dbraw/zinc/45/19/08/1120451908.db2.gz LJIWTLXLTXCULX-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186259912 1120451911 /nfs/dbraw/zinc/45/19/11/1120451911.db2.gz LJIWTLXLTXCULX-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1F ZINC000542480413 1120518764 /nfs/dbraw/zinc/51/87/64/1120518764.db2.gz BEUVPTLEWAKVRP-LJQANCHMSA-N 1 2 325.362 3.942 20 0 EHADLO CC(C)(C)c1ccc(Cl)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000670058893 1120520639 /nfs/dbraw/zinc/52/06/39/1120520639.db2.gz SQAQLYITXUCZIY-CYBMUJFWSA-N 1 2 346.862 3.971 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000393349670 1120528885 /nfs/dbraw/zinc/52/88/85/1120528885.db2.gz SIEBEAHUYHSELL-LBPRGKRZSA-N 1 2 338.274 3.509 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccc(F)cc2F)c[nH+]1 ZINC000889199818 1120551335 /nfs/dbraw/zinc/55/13/35/1120551335.db2.gz QMNCFCKCGNMCMG-UHFFFAOYSA-N 1 2 333.382 3.711 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000494627320 1120706639 /nfs/dbraw/zinc/70/66/39/1120706639.db2.gz YCDIUURRUFLRKS-ZFWWWQNUSA-N 1 2 343.452 3.799 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192055981 1120709072 /nfs/dbraw/zinc/70/90/72/1120709072.db2.gz NSXAHIWLHPDHAA-MAUKXSAKSA-N 1 2 349.862 3.931 20 0 EHADLO Cc1cc(OCC(=O)N[C@H](C)c2cccs2)c2ccccc2[nH+]1 ZINC000192193299 1120723577 /nfs/dbraw/zinc/72/35/77/1120723577.db2.gz BBQNHHOBFSNRTO-CYBMUJFWSA-N 1 2 326.421 3.861 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000672327501 1128937179 /nfs/dbraw/zinc/93/71/79/1128937179.db2.gz ITIOVWXUNYIKQV-FGTMMUONSA-N 1 2 338.455 3.871 20 0 EHADLO CN(C)c1noc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000192785104 1120748707 /nfs/dbraw/zinc/74/87/07/1120748707.db2.gz QBJHIGHLHAGBDM-INIZCTEOSA-N 1 2 334.851 3.810 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665796 1128939791 /nfs/dbraw/zinc/93/97/91/1128939791.db2.gz TZZKKQQJFMUOPP-WFASDCNBSA-N 1 2 346.475 3.803 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665796 1128939793 /nfs/dbraw/zinc/93/97/93/1128939793.db2.gz TZZKKQQJFMUOPP-WFASDCNBSA-N 1 2 346.475 3.803 20 0 EHADLO CCCCN(CC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193605194 1120787582 /nfs/dbraw/zinc/78/75/82/1120787582.db2.gz DHTSWUXOFJSRSY-IAGOWNOFSA-N 1 2 347.503 3.950 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000195739223 1120814457 /nfs/dbraw/zinc/81/44/57/1120814457.db2.gz ZJSKUHQKDRGYNH-NZSAHSFTSA-N 1 2 346.540 3.719 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)[C@H]1C ZINC000542517160 1120880219 /nfs/dbraw/zinc/88/02/19/1120880219.db2.gz NVFRVULKFUEQIZ-IUCAKERBSA-N 1 2 348.082 3.837 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)[C@H]1C ZINC000542517160 1120880224 /nfs/dbraw/zinc/88/02/24/1120880224.db2.gz NVFRVULKFUEQIZ-IUCAKERBSA-N 1 2 348.082 3.837 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000914532364 1120881382 /nfs/dbraw/zinc/88/13/82/1120881382.db2.gz GWSJBJSDHJTVAW-INIZCTEOSA-N 1 2 337.533 3.934 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCSC1 ZINC000494962592 1120913446 /nfs/dbraw/zinc/91/34/46/1120913446.db2.gz VNLJOCIRLAVKME-YGRLFVJLSA-N 1 2 348.295 3.892 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCSC1 ZINC000494962592 1120913450 /nfs/dbraw/zinc/91/34/50/1120913450.db2.gz VNLJOCIRLAVKME-YGRLFVJLSA-N 1 2 348.295 3.892 20 0 EHADLO Fc1ccc(NC(=S)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000761836517 1120978661 /nfs/dbraw/zinc/97/86/61/1120978661.db2.gz CPIDPFLQRZLJQE-UHFFFAOYSA-N 1 2 334.807 3.613 20 0 EHADLO Cn1nc(C[NH2+]Cc2sccc2Br)c2ccccc21 ZINC000112838153 1128954760 /nfs/dbraw/zinc/95/47/60/1128954760.db2.gz UGXAEUGHPDQWLF-UHFFFAOYSA-N 1 2 336.258 3.687 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000451217930 1128955950 /nfs/dbraw/zinc/95/59/50/1128955950.db2.gz MYCHVHAJPROXKA-GUDVDZBRSA-N 1 2 337.467 3.710 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000762145036 1121126022 /nfs/dbraw/zinc/12/60/22/1121126022.db2.gz SDGPDDXNWBSNFX-CYBMUJFWSA-N 1 2 346.475 3.979 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000762145036 1121126024 /nfs/dbraw/zinc/12/60/24/1121126024.db2.gz SDGPDDXNWBSNFX-CYBMUJFWSA-N 1 2 346.475 3.979 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2CC=CCC2)cc1OC ZINC000679357424 1128966952 /nfs/dbraw/zinc/96/69/52/1128966952.db2.gz PEIFYMAJJGVBAU-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2CC=CCC2)cc1OC ZINC000679357424 1128966955 /nfs/dbraw/zinc/96/69/55/1128966955.db2.gz PEIFYMAJJGVBAU-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000542974708 1128970933 /nfs/dbraw/zinc/97/09/33/1128970933.db2.gz HXZYZSWDKVFTQE-HNNXBMFYSA-N 1 2 332.469 3.673 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(C)cnc1Cl)c1ccc(F)c(F)c1 ZINC000921963403 1128980321 /nfs/dbraw/zinc/98/03/21/1128980321.db2.gz BHJLHUFRZITWPW-OAHLLOKOSA-N 1 2 326.774 3.799 20 0 EHADLO Cc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)cc(Cl)n1 ZINC000153584660 1121366449 /nfs/dbraw/zinc/36/64/49/1121366449.db2.gz XOUSWMGSDKEUJW-UHFFFAOYSA-N 1 2 348.830 3.553 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C2CC2)cn1 ZINC000888278074 1121450629 /nfs/dbraw/zinc/45/06/29/1121450629.db2.gz WXAFLWBEPQTGLV-UHFFFAOYSA-N 1 2 342.349 3.534 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1CNc1ccc(N(C)C)c[nH+]1 ZINC001168496528 1121527295 /nfs/dbraw/zinc/52/72/95/1121527295.db2.gz SKWUKUYYNINSKU-UHFFFAOYSA-N 1 2 341.333 3.667 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C(F)=C1CCCC1 ZINC000763044033 1121665579 /nfs/dbraw/zinc/66/55/79/1121665579.db2.gz IWVZAFGAFTZRKN-UHFFFAOYSA-N 1 2 331.435 3.876 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccccc2)no1 ZINC000054225684 1121749571 /nfs/dbraw/zinc/74/95/71/1121749571.db2.gz IJPPCBYLHQMJOC-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000054340796 1121753768 /nfs/dbraw/zinc/75/37/68/1121753768.db2.gz TWRSYKYIEOFGTQ-INIZCTEOSA-N 1 2 347.480 3.552 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000054340796 1121753771 /nfs/dbraw/zinc/75/37/71/1121753771.db2.gz TWRSYKYIEOFGTQ-INIZCTEOSA-N 1 2 347.480 3.552 20 0 EHADLO CC(C)c1cccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055696527 1121858102 /nfs/dbraw/zinc/85/81/02/1121858102.db2.gz LQMMSRYKVUETQY-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000444154147 1121896388 /nfs/dbraw/zinc/89/63/88/1121896388.db2.gz ZFWAOWZILHWFKG-QGZVFWFLSA-N 1 2 346.519 3.916 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@H]3C)cs2)cc1 ZINC000638070461 1121943386 /nfs/dbraw/zinc/94/33/86/1121943386.db2.gz XUIMAXSRQPAQGQ-CYBMUJFWSA-N 1 2 345.468 3.821 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@H]3C)cs2)cc1 ZINC000638070461 1121943391 /nfs/dbraw/zinc/94/33/91/1121943391.db2.gz XUIMAXSRQPAQGQ-CYBMUJFWSA-N 1 2 345.468 3.821 20 0 EHADLO Cc1cc(OCCCC(=O)OCCCn2cc[nH+]c2)ccc1Cl ZINC000763290025 1121943699 /nfs/dbraw/zinc/94/36/99/1121943699.db2.gz YZKIHLZRQQFXFV-UHFFFAOYSA-N 1 2 336.819 3.637 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539849 1121959428 /nfs/dbraw/zinc/95/94/28/1121959428.db2.gz VSFPXYVMZXNZLT-MRXNPFEDSA-N 1 2 348.450 3.546 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539849 1121959434 /nfs/dbraw/zinc/95/94/34/1121959434.db2.gz VSFPXYVMZXNZLT-MRXNPFEDSA-N 1 2 348.450 3.546 20 0 EHADLO Cc1ccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000916144036 1122072121 /nfs/dbraw/zinc/07/21/21/1122072121.db2.gz SSZKEBQHIQBCGN-YVMONPNESA-N 1 2 336.479 3.705 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152555 1122081766 /nfs/dbraw/zinc/08/17/66/1122081766.db2.gz UHGJGRXYKXQRNI-CYBMUJFWSA-N 1 2 344.842 3.906 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152555 1122081772 /nfs/dbraw/zinc/08/17/72/1122081772.db2.gz UHGJGRXYKXQRNI-CYBMUJFWSA-N 1 2 344.842 3.906 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC(C2CCCCC2)CC1 ZINC000916576493 1122201665 /nfs/dbraw/zinc/20/16/65/1122201665.db2.gz DRBPHQGSTOGCCE-UHFFFAOYSA-N 1 2 344.503 3.886 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(F)c1F ZINC000065426919 1122399529 /nfs/dbraw/zinc/39/95/29/1122399529.db2.gz PSXWPTVLYZWSKV-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc2c(s1)CCC2 ZINC000126702629 1122420217 /nfs/dbraw/zinc/42/02/17/1122420217.db2.gz LZFQTSUFLBVYSE-UHFFFAOYSA-N 1 2 341.480 3.552 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(Cl)ccc1F ZINC000126725203 1122420571 /nfs/dbraw/zinc/42/05/71/1122420571.db2.gz LMYGKBGYNONAOL-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000066562771 1122474858 /nfs/dbraw/zinc/47/48/58/1122474858.db2.gz AREVQFXYTDGGFL-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000066562771 1122474860 /nfs/dbraw/zinc/47/48/60/1122474860.db2.gz AREVQFXYTDGGFL-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO CCn1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)nc2cc(F)ccc21 ZINC000066828695 1122486065 /nfs/dbraw/zinc/48/60/65/1122486065.db2.gz OTXKOKBMTKQUHN-UHFFFAOYSA-N 1 2 341.386 3.556 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)nc2cc(F)ccc21 ZINC000066828695 1122486067 /nfs/dbraw/zinc/48/60/67/1122486067.db2.gz OTXKOKBMTKQUHN-UHFFFAOYSA-N 1 2 341.386 3.556 20 0 EHADLO CCOC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000067387330 1122512696 /nfs/dbraw/zinc/51/26/96/1122512696.db2.gz CPJGGSODKSCURB-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO CC(=O)N1CCCc2cc(NCc3c[nH+]c4c(C)cccn34)ccc21 ZINC000128074077 1122527602 /nfs/dbraw/zinc/52/76/02/1122527602.db2.gz NGHBQYNHCMOGGH-UHFFFAOYSA-N 1 2 334.423 3.554 20 0 EHADLO O=C(C[NH+]1CCC(C2CCCCC2)CC1)Nc1cccnc1Cl ZINC000917131659 1122528147 /nfs/dbraw/zinc/52/81/47/1122528147.db2.gz XFOAMAKTHCYEAG-UHFFFAOYSA-N 1 2 335.879 3.966 20 0 EHADLO CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000128287005 1122551066 /nfs/dbraw/zinc/55/10/66/1122551066.db2.gz KUMQGZGLASAEBX-QZTJIDSGSA-N 1 2 326.444 3.601 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccoc1 ZINC000497490692 1122564450 /nfs/dbraw/zinc/56/44/50/1122564450.db2.gz HPLLLBYBLVSBFX-FQEVSTJZSA-N 1 2 326.440 3.759 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccoc1 ZINC000497490692 1122564453 /nfs/dbraw/zinc/56/44/53/1122564453.db2.gz HPLLLBYBLVSBFX-FQEVSTJZSA-N 1 2 326.440 3.759 20 0 EHADLO CC1CCC([N@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)C2CC2)CC1 ZINC000917437306 1122602567 /nfs/dbraw/zinc/60/25/67/1122602567.db2.gz JYVBGUMCOUQQMB-UHFFFAOYSA-N 1 2 345.418 3.643 20 0 EHADLO CC1CCC([N@@H+](Cn2nc(-c3ccc(F)cc3)oc2=O)C2CC2)CC1 ZINC000917437306 1122602569 /nfs/dbraw/zinc/60/25/69/1122602569.db2.gz JYVBGUMCOUQQMB-UHFFFAOYSA-N 1 2 345.418 3.643 20 0 EHADLO Cn1c2ccccc2n(C[N@H+](C)Cc2csc3ccccc23)c1=O ZINC000917455096 1122610873 /nfs/dbraw/zinc/61/08/73/1122610873.db2.gz QRSZSCQEPUTNIB-UHFFFAOYSA-N 1 2 337.448 3.644 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+](C)Cc2csc3ccccc23)c1=O ZINC000917455096 1122610877 /nfs/dbraw/zinc/61/08/77/1122610877.db2.gz QRSZSCQEPUTNIB-UHFFFAOYSA-N 1 2 337.448 3.644 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cn1c(=O)oc2ccccc21 ZINC000917478217 1122613012 /nfs/dbraw/zinc/61/30/12/1122613012.db2.gz SWPMCZVKOVWMKN-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cn1c(=O)oc2ccccc21 ZINC000917478217 1122613013 /nfs/dbraw/zinc/61/30/13/1122613013.db2.gz SWPMCZVKOVWMKN-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128691934 1122648776 /nfs/dbraw/zinc/64/87/76/1122648776.db2.gz LNGCILBFYKEGFG-IBGZPJMESA-N 1 2 339.414 3.664 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128691934 1122648778 /nfs/dbraw/zinc/64/87/78/1122648778.db2.gz LNGCILBFYKEGFG-IBGZPJMESA-N 1 2 339.414 3.664 20 0 EHADLO Cc1ccc(C2=CC[N@H+](Cn3c4cc(C)ccc4oc3=O)CC2)cc1 ZINC000917614570 1122653402 /nfs/dbraw/zinc/65/34/02/1122653402.db2.gz YQHPBIUKMUPITL-UHFFFAOYSA-N 1 2 334.419 3.958 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](Cn3c4cc(C)ccc4oc3=O)CC2)cc1 ZINC000917614570 1122653405 /nfs/dbraw/zinc/65/34/05/1122653405.db2.gz YQHPBIUKMUPITL-UHFFFAOYSA-N 1 2 334.419 3.958 20 0 EHADLO C[C@@H](c1ccccn1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000068475279 1122654352 /nfs/dbraw/zinc/65/43/52/1122654352.db2.gz ZFIHHUPMMZQCRX-KXKDPZRNSA-N 1 2 332.407 3.500 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000069085186 1122751044 /nfs/dbraw/zinc/75/10/44/1122751044.db2.gz BFSQFEPLNBYXMQ-OAHLLOKOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000069085186 1122751046 /nfs/dbraw/zinc/75/10/46/1122751046.db2.gz BFSQFEPLNBYXMQ-OAHLLOKOSA-N 1 2 345.830 3.519 20 0 EHADLO Cc1cc(C[N@H+]2CCN(C)C(C)(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000556088069 1122806061 /nfs/dbraw/zinc/80/60/61/1122806061.db2.gz DSXSEAKULXUCII-UHFFFAOYSA-N 1 2 344.890 3.631 20 0 EHADLO Cc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000556088069 1122806065 /nfs/dbraw/zinc/80/60/65/1122806065.db2.gz DSXSEAKULXUCII-UHFFFAOYSA-N 1 2 344.890 3.631 20 0 EHADLO CC(C)N(CC1=CS[C@H]([NH3+])N1)Cc1c(Cl)cccc1Cl ZINC001236111432 1122871901 /nfs/dbraw/zinc/87/19/01/1122871901.db2.gz RBXMCNOMCXBXDD-CQSZACIVSA-N 1 2 332.300 3.624 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000556262571 1122905205 /nfs/dbraw/zinc/90/52/05/1122905205.db2.gz AMBCGFPPTFHSHH-YVEFUNNKSA-N 1 2 331.366 3.651 20 0 EHADLO CC(C)(C)OC(=O)N1CC(CCn2c[nH+]c(Cc3ccccc3)c2)C1 ZINC000919156097 1122984995 /nfs/dbraw/zinc/98/49/95/1122984995.db2.gz LBKZMWCSFZNXBB-UHFFFAOYSA-N 1 2 341.455 3.731 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000131200704 1123059807 /nfs/dbraw/zinc/05/98/07/1123059807.db2.gz NGIKASAUOKSPMI-MRXNPFEDSA-N 1 2 348.830 3.855 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000131200704 1123059811 /nfs/dbraw/zinc/05/98/11/1123059811.db2.gz NGIKASAUOKSPMI-MRXNPFEDSA-N 1 2 348.830 3.855 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000556618576 1123062903 /nfs/dbraw/zinc/06/29/03/1123062903.db2.gz BOSLEVMOCXWNAU-SFHVURJKSA-N 1 2 346.833 3.931 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000556618576 1123062906 /nfs/dbraw/zinc/06/29/06/1123062906.db2.gz BOSLEVMOCXWNAU-SFHVURJKSA-N 1 2 346.833 3.931 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)c1 ZINC000010226196 1123103110 /nfs/dbraw/zinc/10/31/10/1123103110.db2.gz MFDFHMLMCSRGMV-GOSISDBHSA-N 1 2 328.387 3.610 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)c1 ZINC000010226196 1123103114 /nfs/dbraw/zinc/10/31/14/1123103114.db2.gz MFDFHMLMCSRGMV-GOSISDBHSA-N 1 2 328.387 3.610 20 0 EHADLO CC(C)C[C@H](c1nc(-c2ccc(OC(F)F)cn2)no1)n1cc[nH+]c1 ZINC000924022645 1123104122 /nfs/dbraw/zinc/10/41/22/1123104122.db2.gz ABHMUXJWCZUWDB-CYBMUJFWSA-N 1 2 349.341 3.565 20 0 EHADLO c1ccc(Oc2ccc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000498950176 1123128890 /nfs/dbraw/zinc/12/88/90/1123128890.db2.gz ZJRVAOOCIBFXIG-UHFFFAOYSA-N 1 2 346.434 3.591 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000073590155 1123211051 /nfs/dbraw/zinc/21/10/51/1123211051.db2.gz ZALTZQPLGJBOHA-GOSISDBHSA-N 1 2 344.503 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1nc(-c2ccccc2)cs1 ZINC000132355562 1123220470 /nfs/dbraw/zinc/22/04/70/1123220470.db2.gz XWXQLFMNDMZMKY-NSHDSACASA-N 1 2 343.477 3.821 20 0 EHADLO CCCOc1cccc2c(N[C@H](C)CO[C@@H]3CCOC3)cc[nH+]c12 ZINC000499138989 1123243829 /nfs/dbraw/zinc/24/38/29/1123243829.db2.gz LGGBIGAOAGLEHR-HUUCEWRRSA-N 1 2 330.428 3.630 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ccn(C(C)C)c2=S)cc(OC)c1 ZINC000919956591 1123245908 /nfs/dbraw/zinc/24/59/08/1123245908.db2.gz KHCGCEQKABGIFZ-UHFFFAOYSA-N 1 2 335.473 3.707 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ccn(C(C)C)c2=S)cc(OC)c1 ZINC000919956591 1123245910 /nfs/dbraw/zinc/24/59/10/1123245910.db2.gz KHCGCEQKABGIFZ-UHFFFAOYSA-N 1 2 335.473 3.707 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)ccc1C ZINC000132693099 1123282904 /nfs/dbraw/zinc/28/29/04/1123282904.db2.gz LGVSCJZWLDYGRI-UHFFFAOYSA-N 1 2 341.436 3.673 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)ccc1C ZINC000132693099 1123282906 /nfs/dbraw/zinc/28/29/06/1123282906.db2.gz LGVSCJZWLDYGRI-UHFFFAOYSA-N 1 2 341.436 3.673 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000557073641 1123305130 /nfs/dbraw/zinc/30/51/30/1123305130.db2.gz LLPPWXDPJZPGCU-UHFFFAOYSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000074485118 1123306416 /nfs/dbraw/zinc/30/64/16/1123306416.db2.gz CUJOLLWODOLSKD-INIZCTEOSA-N 1 2 329.488 3.905 20 0 EHADLO Clc1cnccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000075711753 1123412824 /nfs/dbraw/zinc/41/28/24/1123412824.db2.gz XBSFDTGCWKMJSB-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cnccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000075711753 1123412828 /nfs/dbraw/zinc/41/28/28/1123412828.db2.gz XBSFDTGCWKMJSB-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920768135 1123422295 /nfs/dbraw/zinc/42/22/95/1123422295.db2.gz OHUIGPUXTZQOSB-CJNGLKHVSA-N 1 2 349.862 3.535 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843058 1123431811 /nfs/dbraw/zinc/43/18/11/1123431811.db2.gz GGEJVBZTKDMIJB-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843058 1123431812 /nfs/dbraw/zinc/43/18/12/1123431812.db2.gz GGEJVBZTKDMIJB-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO CCc1cccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000920994644 1123445421 /nfs/dbraw/zinc/44/54/21/1123445421.db2.gz SCVGJFVDNSHTQL-MRXNPFEDSA-N 1 2 330.501 3.847 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000921030928 1123453602 /nfs/dbraw/zinc/45/36/02/1123453602.db2.gz UXAYDJUDGKVOBH-ZDUSSCGKSA-N 1 2 349.475 3.941 20 0 EHADLO CC(C)Cc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921150251 1123472533 /nfs/dbraw/zinc/47/25/33/1123472533.db2.gz PAYWKYRLFRIRSE-UHFFFAOYSA-N 1 2 347.462 3.930 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cn1cc(Br)cn1 ZINC000921185782 1123479936 /nfs/dbraw/zinc/47/99/36/1123479936.db2.gz WGTQYFHQZNUJBJ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)Cn1cc(Br)cn1 ZINC000921185782 1123479938 /nfs/dbraw/zinc/47/99/38/1123479938.db2.gz WGTQYFHQZNUJBJ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO CCSc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000134283134 1123513310 /nfs/dbraw/zinc/51/33/10/1123513310.db2.gz BEEIIHGLMZOINT-UHFFFAOYSA-N 1 2 341.480 3.592 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC2CC2)C[C@H](C)O1 ZINC000077274638 1123543663 /nfs/dbraw/zinc/54/36/63/1123543663.db2.gz UXONTZRIAZFHRL-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077348173 1123551467 /nfs/dbraw/zinc/55/14/67/1123551467.db2.gz ATBMUSXASVZJSF-INIZCTEOSA-N 1 2 342.487 3.945 20 0 EHADLO Cc1c(Cl)ccc(C[NH2+][C@H](c2nncn2C)C(C)C)c1Cl ZINC000922123474 1129130330 /nfs/dbraw/zinc/13/03/30/1129130330.db2.gz WFEMQYVBSAOION-AWEZNQCLSA-N 1 2 327.259 3.917 20 0 EHADLO COC(=O)c1cccc(CSCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000609852052 1123675367 /nfs/dbraw/zinc/67/53/67/1123675367.db2.gz LEZGJUDWVNAHGP-UHFFFAOYSA-N 1 2 331.437 3.927 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000079450252 1123695484 /nfs/dbraw/zinc/69/54/84/1123695484.db2.gz XEKSDXDMDIVMST-MRXNPFEDSA-N 1 2 346.434 3.765 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000615308781 1123777787 /nfs/dbraw/zinc/77/77/87/1123777787.db2.gz UJCQIADWHUUDJI-ZIAGYGMSSA-N 1 2 338.411 3.764 20 0 EHADLO CCCCOCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000615345659 1123782523 /nfs/dbraw/zinc/78/25/23/1123782523.db2.gz VOSHDOGILOSXMB-UHFFFAOYSA-N 1 2 344.421 3.640 20 0 EHADLO Clc1cc2c(cc1NCc1ccc(-n3cc[nH+]c3)cc1)OCO2 ZINC000237720333 1123833586 /nfs/dbraw/zinc/83/35/86/1123833586.db2.gz YPGAVUZMMGSOBH-UHFFFAOYSA-N 1 2 327.771 3.867 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245660736 1123914982 /nfs/dbraw/zinc/91/49/82/1123914982.db2.gz HNWYNFGKRKGBGZ-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245660736 1123914983 /nfs/dbraw/zinc/91/49/83/1123914983.db2.gz HNWYNFGKRKGBGZ-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc(F)ccc2C)[nH+]1 ZINC000068373457 1123928567 /nfs/dbraw/zinc/92/85/67/1123928567.db2.gz TXSWAJZPDUVPOL-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000180057987 1123929928 /nfs/dbraw/zinc/92/99/28/1123929928.db2.gz PBKOGCBBRNPYPY-HNNXBMFYSA-N 1 2 334.872 3.634 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000180057987 1123929932 /nfs/dbraw/zinc/92/99/32/1123929932.db2.gz PBKOGCBBRNPYPY-HNNXBMFYSA-N 1 2 334.872 3.634 20 0 EHADLO CC(C)c1ccc([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC000673042595 1129155145 /nfs/dbraw/zinc/15/51/45/1129155145.db2.gz HVQAZKHLQZZEHW-LJQANCHMSA-N 1 2 325.456 3.840 20 0 EHADLO CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775928 1123949469 /nfs/dbraw/zinc/94/94/69/1123949469.db2.gz YAZKPAPVRGQGPF-YUMYIRISSA-N 1 2 341.543 3.646 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C)cc1OC ZINC000616279416 1123973118 /nfs/dbraw/zinc/97/31/18/1123973118.db2.gz BELLKNCQLXZPDX-OAHLLOKOSA-N 1 2 337.460 3.646 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C)cc1OC ZINC000616279416 1123973122 /nfs/dbraw/zinc/97/31/22/1123973122.db2.gz BELLKNCQLXZPDX-OAHLLOKOSA-N 1 2 337.460 3.646 20 0 EHADLO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000180289195 1123979839 /nfs/dbraw/zinc/97/98/39/1123979839.db2.gz VYBPDZVKDJQBOD-UHFFFAOYSA-N 1 2 349.862 3.538 20 0 EHADLO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000180289195 1123979841 /nfs/dbraw/zinc/97/98/41/1123979841.db2.gz VYBPDZVKDJQBOD-UHFFFAOYSA-N 1 2 349.862 3.538 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)C3CCC(F)(F)CC3)ccc2[nH+]1 ZINC000653965477 1124030463 /nfs/dbraw/zinc/03/04/63/1124030463.db2.gz LMHQLEZJJPEHBC-LBPRGKRZSA-N 1 2 336.386 3.978 20 0 EHADLO CN(Cc1ccccc1NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000357170722 1129178950 /nfs/dbraw/zinc/17/89/50/1129178950.db2.gz PGMIYRPWVMPBJV-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO CN(Cc1ccccc1NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000357170722 1129178952 /nfs/dbraw/zinc/17/89/52/1129178952.db2.gz PGMIYRPWVMPBJV-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246842036 1124556947 /nfs/dbraw/zinc/55/69/47/1124556947.db2.gz VFOTZIXPMFEDBY-KGLIPLIRSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246842036 1124556952 /nfs/dbraw/zinc/55/69/52/1124556952.db2.gz VFOTZIXPMFEDBY-KGLIPLIRSA-N 1 2 331.847 3.715 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247161664 1124593019 /nfs/dbraw/zinc/59/30/19/1124593019.db2.gz XPMATQABRHRQQC-UVBJJODRSA-N 1 2 326.843 3.633 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247161664 1124593025 /nfs/dbraw/zinc/59/30/25/1124593025.db2.gz XPMATQABRHRQQC-UVBJJODRSA-N 1 2 326.843 3.633 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000248625023 1124681880 /nfs/dbraw/zinc/68/18/80/1124681880.db2.gz UTHSQUISEBDROI-MGPQQGTHSA-N 1 2 337.533 3.596 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C ZINC000249092943 1124736635 /nfs/dbraw/zinc/73/66/35/1124736635.db2.gz OGMCJFZESSEXRR-TZMCWYRMSA-N 1 2 348.443 3.580 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C ZINC000249092943 1124736641 /nfs/dbraw/zinc/73/66/41/1124736641.db2.gz OGMCJFZESSEXRR-TZMCWYRMSA-N 1 2 348.443 3.580 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1nc(C(F)F)n(C)c1=S ZINC000181323610 1124756156 /nfs/dbraw/zinc/75/61/56/1124756156.db2.gz WZGPWFFWRNZTHL-UHFFFAOYSA-N 1 2 326.416 3.677 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1nc(C(F)F)n(C)c1=S ZINC000181323610 1124756164 /nfs/dbraw/zinc/75/61/64/1124756164.db2.gz WZGPWFFWRNZTHL-UHFFFAOYSA-N 1 2 326.416 3.677 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)n1 ZINC000734849806 1131286920 /nfs/dbraw/zinc/28/69/20/1131286920.db2.gz NUHAYLLHVKFARR-UHFFFAOYSA-N 1 2 349.891 3.720 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cn1 ZINC000090944547 1124945619 /nfs/dbraw/zinc/94/56/19/1124945619.db2.gz KQHSNQXHTXQFPE-AWEZNQCLSA-N 1 2 327.407 3.640 20 0 EHADLO Cc1cc(NC(=O)c2cccc(SC(F)(F)F)c2)c(C)c[nH+]1 ZINC001127646497 1125011014 /nfs/dbraw/zinc/01/10/14/1125011014.db2.gz QKPABKZRGKKFLR-UHFFFAOYSA-N 1 2 326.343 3.985 20 0 EHADLO Cc1nc(-c2ccc(C(=O)Nc3cc(C)[nH+]cc3C)s2)cs1 ZINC001127647253 1125016468 /nfs/dbraw/zinc/01/64/68/1125016468.db2.gz NGHHALLOLHBIIF-UHFFFAOYSA-N 1 2 329.450 3.866 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@H+](C1CC1)C1CCCCC1 ZINC000735296338 1131328511 /nfs/dbraw/zinc/32/85/11/1131328511.db2.gz RQUCOHDGODHDOI-UHFFFAOYSA-N 1 2 329.473 3.757 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@@H+](C1CC1)C1CCCCC1 ZINC000735296338 1131328517 /nfs/dbraw/zinc/32/85/17/1131328517.db2.gz RQUCOHDGODHDOI-UHFFFAOYSA-N 1 2 329.473 3.757 20 0 EHADLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000618443461 1125081725 /nfs/dbraw/zinc/08/17/25/1125081725.db2.gz JTJREQZCTUGCBB-AWEZNQCLSA-N 1 2 338.879 3.785 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000181984171 1125109340 /nfs/dbraw/zinc/10/93/40/1125109340.db2.gz WXOPLMQXJYESNS-SFHVURJKSA-N 1 2 336.391 3.688 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CCO1 ZINC000093508701 1125263562 /nfs/dbraw/zinc/26/35/62/1125263562.db2.gz XGWQFSVAODXOEW-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CCO1 ZINC000093508701 1125263568 /nfs/dbraw/zinc/26/35/68/1125263568.db2.gz XGWQFSVAODXOEW-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO CN(CC1CC[NH+](C/C(Cl)=C\Cl)CC1)C(=O)OC(C)(C)C ZINC000763532289 1125326011 /nfs/dbraw/zinc/32/60/11/1125326011.db2.gz GTRPEZHHMJJEMR-UKTHLTGXSA-N 1 2 337.291 3.884 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763538258 1125327104 /nfs/dbraw/zinc/32/71/04/1125327104.db2.gz KYIJOJRLHFLZLD-GJSJWPQCSA-N 1 2 337.291 3.931 20 0 EHADLO O=C(c1cc(Cl)cc(Cl)c1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000630866470 1125372450 /nfs/dbraw/zinc/37/24/50/1125372450.db2.gz VVQPRTJVTLENSU-UHFFFAOYSA-N 1 2 342.201 3.806 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)c(Cl)c1OC ZINC000070943383 1125432990 /nfs/dbraw/zinc/43/29/90/1125432990.db2.gz SMDCBGGVNLMPSC-SNVBAGLBSA-N 1 2 326.849 3.973 20 0 EHADLO Clc1cccc2c1CC[C@@H]2N1CC[NH+](Cc2ccncc2)CC1 ZINC000153116430 1125436444 /nfs/dbraw/zinc/43/64/44/1125436444.db2.gz ORBDTJGKTSUNOT-IBGZPJMESA-N 1 2 327.859 3.540 20 0 EHADLO CCCCOc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000619973484 1125444237 /nfs/dbraw/zinc/44/42/37/1125444237.db2.gz XFMVZJPCFHRAPZ-UHFFFAOYSA-N 1 2 338.451 3.611 20 0 EHADLO Cc1ccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000543095182 1129216969 /nfs/dbraw/zinc/21/69/69/1129216969.db2.gz ISWSLABXLWTNQL-UHFFFAOYSA-N 1 2 339.483 3.761 20 0 EHADLO CC1(C)CCC(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000682520716 1129222741 /nfs/dbraw/zinc/22/27/41/1129222741.db2.gz PFTCDTPWOBBXTM-UHFFFAOYSA-N 1 2 346.496 3.815 20 0 EHADLO O=C1NCCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543151061 1129288888 /nfs/dbraw/zinc/28/88/88/1129288888.db2.gz KNHOBCSRWNTICJ-IRXDYDNUSA-N 1 2 349.261 3.951 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(Oc3ccccn3)c2)[nH]1 ZINC000922178783 1129299147 /nfs/dbraw/zinc/29/91/47/1129299147.db2.gz RYQGYTDGEBYPQZ-UHFFFAOYSA-N 1 2 337.427 3.579 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 ZINC000425706195 1129333456 /nfs/dbraw/zinc/33/34/56/1129333456.db2.gz UUDRNOLTTRGNNX-LBPRGKRZSA-N 1 2 334.370 3.769 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000543206204 1129344527 /nfs/dbraw/zinc/34/45/27/1129344527.db2.gz RFGNNDUXSDNQLO-JXFKEZNVSA-N 1 2 339.435 3.744 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000543206204 1129344528 /nfs/dbraw/zinc/34/45/28/1129344528.db2.gz RFGNNDUXSDNQLO-JXFKEZNVSA-N 1 2 339.435 3.744 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068407943 1129368499 /nfs/dbraw/zinc/36/84/99/1129368499.db2.gz FCQIPTTXZSKECU-OAHLLOKOSA-N 1 2 341.430 3.544 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000068706098 1129391171 /nfs/dbraw/zinc/39/11/71/1129391171.db2.gz ALPJKESJTUUFMK-SFHVURJKSA-N 1 2 335.451 3.713 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000069086349 1129422205 /nfs/dbraw/zinc/42/22/05/1129422205.db2.gz VWKVUIXWSSPJGA-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000069086349 1129422208 /nfs/dbraw/zinc/42/22/08/1129422208.db2.gz VWKVUIXWSSPJGA-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000069162520 1129428205 /nfs/dbraw/zinc/42/82/05/1129428205.db2.gz UFCCEPFEVYDKNK-OAHLLOKOSA-N 1 2 338.835 3.650 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000922316290 1129460040 /nfs/dbraw/zinc/46/00/40/1129460040.db2.gz VZTGQUFBPYRDEH-UHFFFAOYSA-N 1 2 333.741 3.656 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccn2)cc1 ZINC000543408143 1129468209 /nfs/dbraw/zinc/46/82/09/1129468209.db2.gz WVAOFUCWWGCEFG-HXUWFJFHSA-N 1 2 336.366 3.829 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)NCc2cccs2)[C@@H]1c1ccccc1 ZINC000118421062 1129508421 /nfs/dbraw/zinc/50/84/21/1129508421.db2.gz QEASPOVTQXASQM-KDOFPFPSSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1c1ccccc1 ZINC000118421062 1129508425 /nfs/dbraw/zinc/50/84/25/1129508425.db2.gz QEASPOVTQXASQM-KDOFPFPSSA-N 1 2 346.521 3.543 20 0 EHADLO CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001143618489 1129534909 /nfs/dbraw/zinc/53/49/09/1129534909.db2.gz UJPZNZRHRXHBKE-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922449810 1129535976 /nfs/dbraw/zinc/53/59/76/1129535976.db2.gz MOBRYRPEFKMRCF-MRXNPFEDSA-N 1 2 328.412 3.688 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc[nH+]c1N ZINC000922450661 1129536418 /nfs/dbraw/zinc/53/64/18/1129536418.db2.gz SBWUTWLTSXMPBW-INIZCTEOSA-N 1 2 328.412 3.688 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC2CCC(F)(F)CC2)c1C ZINC000624896650 1129539401 /nfs/dbraw/zinc/53/94/01/1129539401.db2.gz YTQJBUYADOJGJR-UHFFFAOYSA-N 1 2 340.414 3.881 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922466200 1129542143 /nfs/dbraw/zinc/54/21/43/1129542143.db2.gz GQYUIQJSAGKOFM-UHFFFAOYSA-N 1 2 332.879 3.761 20 0 EHADLO CC[C@H](C(=O)OCc1ccc[nH+]c1N)c1cccc(C(F)(F)F)c1 ZINC000922514981 1129559300 /nfs/dbraw/zinc/55/93/00/1129559300.db2.gz JIGWHIJUAHUPJQ-AWEZNQCLSA-N 1 2 338.329 3.920 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922577085 1129579076 /nfs/dbraw/zinc/57/90/76/1129579076.db2.gz KOVVFLUHDMJSEZ-IBGZPJMESA-N 1 2 333.439 3.520 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)s1 ZINC000282364385 1129590109 /nfs/dbraw/zinc/59/01/09/1129590109.db2.gz BNWXPFGXEFPOLW-LBPRGKRZSA-N 1 2 346.475 3.574 20 0 EHADLO CCCCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000124470857 1129609940 /nfs/dbraw/zinc/60/99/40/1129609940.db2.gz NJBBYKJPOGYMRW-IAGOWNOFSA-N 1 2 328.460 3.845 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000073751877 1129672084 /nfs/dbraw/zinc/67/20/84/1129672084.db2.gz OXFKVFQWMUWOTJ-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000390655424 1129707177 /nfs/dbraw/zinc/70/71/77/1129707177.db2.gz OQNIWSSBKLGJFK-CPCISQLKSA-N 1 2 349.066 3.805 20 0 EHADLO COc1ccc(C[N@H+](Cc2cscn2)[C@H](C)C2CC2)c(OC)c1 ZINC000282410111 1129719961 /nfs/dbraw/zinc/71/99/61/1129719961.db2.gz IKJAJWHCJRALSO-CYBMUJFWSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cscn2)[C@H](C)C2CC2)c(OC)c1 ZINC000282410111 1129719962 /nfs/dbraw/zinc/71/99/62/1129719962.db2.gz IKJAJWHCJRALSO-CYBMUJFWSA-N 1 2 332.469 3.961 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000625120485 1129738587 /nfs/dbraw/zinc/73/85/87/1129738587.db2.gz URMNFHHCSXIZPV-MJGOQNOKSA-N 1 2 341.455 3.937 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000625120485 1129738590 /nfs/dbraw/zinc/73/85/90/1129738590.db2.gz URMNFHHCSXIZPV-MJGOQNOKSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@@]1(c2ccccc2)CC(=O)N(C[N@H+](Cc2cccs2)C2CC2)C1 ZINC000186665966 1129740112 /nfs/dbraw/zinc/74/01/12/1129740112.db2.gz FDVBDDVSEKTGHZ-HXUWFJFHSA-N 1 2 340.492 3.860 20 0 EHADLO C[C@@]1(c2ccccc2)CC(=O)N(C[N@@H+](Cc2cccs2)C2CC2)C1 ZINC000186665966 1129740115 /nfs/dbraw/zinc/74/01/15/1129740115.db2.gz FDVBDDVSEKTGHZ-HXUWFJFHSA-N 1 2 340.492 3.860 20 0 EHADLO CC[C@@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)C(C)C ZINC000126336403 1129744718 /nfs/dbraw/zinc/74/47/18/1129744718.db2.gz MWKFATPTLQAJMA-SFHVURJKSA-N 1 2 332.488 3.838 20 0 EHADLO CC(C)(C)c1ccc([C@H](NC(=O)Cn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000673649823 1129755130 /nfs/dbraw/zinc/75/51/30/1129755130.db2.gz OLAVTATZQOIYGN-HNNXBMFYSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2ccncc2Br)n1 ZINC000625252802 1129782996 /nfs/dbraw/zinc/78/29/96/1129782996.db2.gz JSJPJTKMBSTHOR-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cccc2nsnc21 ZINC000766018817 1129786035 /nfs/dbraw/zinc/78/60/35/1129786035.db2.gz HMWLZKSLVSYKLH-UHFFFAOYSA-N 1 2 335.436 3.509 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cccc2nsnc21 ZINC000766018817 1129786037 /nfs/dbraw/zinc/78/60/37/1129786037.db2.gz HMWLZKSLVSYKLH-UHFFFAOYSA-N 1 2 335.436 3.509 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000673692069 1129795965 /nfs/dbraw/zinc/79/59/65/1129795965.db2.gz UNPKYXBYMWAWNR-INIZCTEOSA-N 1 2 334.423 3.603 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H](C(C)C)CC3)[nH+]c12 ZINC000673776142 1129844942 /nfs/dbraw/zinc/84/49/42/1129844942.db2.gz KLIYRCPJDSAHLC-KRWDZBQOSA-N 1 2 342.487 3.653 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)nn1C ZINC000282448510 1129865901 /nfs/dbraw/zinc/86/59/01/1129865901.db2.gz ZRHYLUOXTMUVEA-ZDUSSCGKSA-N 1 2 341.377 3.829 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000132024721 1129870704 /nfs/dbraw/zinc/87/07/04/1129870704.db2.gz MGVIVUPXAQVSLL-GOSISDBHSA-N 1 2 344.503 3.792 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000282463284 1129900484 /nfs/dbraw/zinc/90/04/84/1129900484.db2.gz LTUBNQXZXMOWKU-ZIAGYGMSSA-N 1 2 344.484 3.782 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCCc3ccccc32)cs1 ZINC000543505279 1129906926 /nfs/dbraw/zinc/90/69/26/1129906926.db2.gz OJJPUVWWOGUQRK-XJKSGUPXSA-N 1 2 343.496 3.550 20 0 EHADLO Cc1nc([C@@H]([NH2+][C@H]2CCCSCC2)c2ccc(Cl)cc2)no1 ZINC000657953167 1129914757 /nfs/dbraw/zinc/91/47/57/1129914757.db2.gz DOPFSIAHWFSCGV-GJZGRUSLSA-N 1 2 337.876 3.996 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3ncnn3C(C)(C)C)oc21 ZINC000282478646 1129923095 /nfs/dbraw/zinc/92/30/95/1129923095.db2.gz GXZGTIISWNEDDQ-GFCCVEGCSA-N 1 2 328.416 3.639 20 0 EHADLO Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282480272 1129928507 /nfs/dbraw/zinc/92/85/07/1129928507.db2.gz XMCMNWCZJDQLIB-OAHLLOKOSA-N 1 2 343.496 3.538 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625583672 1129941010 /nfs/dbraw/zinc/94/10/10/1129941010.db2.gz VCTGAUYAAAMZGJ-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625583672 1129941012 /nfs/dbraw/zinc/94/10/12/1129941012.db2.gz VCTGAUYAAAMZGJ-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347866483 1129947650 /nfs/dbraw/zinc/94/76/50/1129947650.db2.gz PAVHVLSDSBCPTQ-CYBMUJFWSA-N 1 2 337.920 3.921 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347866483 1129947651 /nfs/dbraw/zinc/94/76/51/1129947651.db2.gz PAVHVLSDSBCPTQ-CYBMUJFWSA-N 1 2 337.920 3.921 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009272 1129956812 /nfs/dbraw/zinc/95/68/12/1129956812.db2.gz GHSUJLOWJFUGKX-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009272 1129956816 /nfs/dbraw/zinc/95/68/16/1129956816.db2.gz GHSUJLOWJFUGKX-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644233 1129966343 /nfs/dbraw/zinc/96/63/43/1129966343.db2.gz BMKNPFIKJXAESA-OUAUKWLOSA-N 1 2 332.341 3.515 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644233 1129966345 /nfs/dbraw/zinc/96/63/45/1129966345.db2.gz BMKNPFIKJXAESA-OUAUKWLOSA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)c1ccon1 ZINC000543574935 1129984747 /nfs/dbraw/zinc/98/47/47/1129984747.db2.gz SIBHGSFZWJTOFS-OAHLLOKOSA-N 1 2 327.428 3.691 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)[C@H](C)c1ccccc1Br ZINC000059389255 1129985316 /nfs/dbraw/zinc/98/53/16/1129985316.db2.gz NHPAMSIKLJEHBY-CYBMUJFWSA-N 1 2 341.293 3.748 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)c1ccccc1Br ZINC000059389255 1129985318 /nfs/dbraw/zinc/98/53/18/1129985318.db2.gz NHPAMSIKLJEHBY-CYBMUJFWSA-N 1 2 341.293 3.748 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)cc1 ZINC000674077674 1129998245 /nfs/dbraw/zinc/99/82/45/1129998245.db2.gz FTHSYSQHNGZKHJ-KRWDZBQOSA-N 1 2 344.499 3.556 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674239826 1130035072 /nfs/dbraw/zinc/03/50/72/1130035072.db2.gz BTQZBDQLBHTJEO-WBVHZDCISA-N 1 2 327.428 3.538 20 0 EHADLO CC(C)(c1ccc(NC(=O)CCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000429236276 1130159605 /nfs/dbraw/zinc/15/96/05/1130159605.db2.gz HUYDVZPCJHYUBC-UHFFFAOYSA-N 1 2 325.334 3.752 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(-c3ccccc3)s2)n1 ZINC000658159555 1130214247 /nfs/dbraw/zinc/21/42/47/1130214247.db2.gz RPCSFPYRTYGXFB-GFCCVEGCSA-N 1 2 328.441 3.530 20 0 EHADLO Cc1csc(C2([NH2+]Cn3ccc(-c4nccs4)n3)CCCC2)n1 ZINC000766087625 1130237017 /nfs/dbraw/zinc/23/70/17/1130237017.db2.gz JKBOVYVNQPJTBV-UHFFFAOYSA-N 1 2 345.497 3.788 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030104 1130288248 /nfs/dbraw/zinc/28/82/48/1130288248.db2.gz WWYGURPXCVFKDI-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030104 1130288251 /nfs/dbraw/zinc/28/82/51/1130288251.db2.gz WWYGURPXCVFKDI-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H]1C(F)(F)F ZINC000675248056 1130295549 /nfs/dbraw/zinc/29/55/49/1130295549.db2.gz XCPIFGFGEYLJIT-PHIMTYICSA-N 1 2 337.267 3.507 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H]1C(F)(F)F ZINC000675248056 1130295553 /nfs/dbraw/zinc/29/55/53/1130295553.db2.gz XCPIFGFGEYLJIT-PHIMTYICSA-N 1 2 337.267 3.507 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675255142 1130298423 /nfs/dbraw/zinc/29/84/23/1130298423.db2.gz HCANEMRFPBALRF-MLGOLLRUSA-N 1 2 341.386 3.800 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000766123987 1130358776 /nfs/dbraw/zinc/35/87/76/1130358776.db2.gz YQLXVIZBLOANPF-OAHLLOKOSA-N 1 2 327.428 3.751 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000766123987 1130358783 /nfs/dbraw/zinc/35/87/83/1130358783.db2.gz YQLXVIZBLOANPF-OAHLLOKOSA-N 1 2 327.428 3.751 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc4sccc4c3)[nH+]c12 ZINC000675463218 1130389247 /nfs/dbraw/zinc/38/92/47/1130389247.db2.gz WVDLDCVIOQULJI-UHFFFAOYSA-N 1 2 335.432 3.830 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)c(C)s1 ZINC000658341604 1130402794 /nfs/dbraw/zinc/40/27/94/1130402794.db2.gz BMABJNCVNYCMSD-QMMMGPOBSA-N 1 2 326.368 3.932 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000675534214 1130420291 /nfs/dbraw/zinc/42/02/91/1130420291.db2.gz GMKDKVUVYXCAMS-AWEZNQCLSA-N 1 2 347.488 3.716 20 0 EHADLO Cc1ccc(CC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(Cl)c1 ZINC000675571034 1130427093 /nfs/dbraw/zinc/42/70/93/1130427093.db2.gz JJNMXJIKPSHZPG-UHFFFAOYSA-N 1 2 341.842 3.506 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675753102 1130465950 /nfs/dbraw/zinc/46/59/50/1130465950.db2.gz JGAWZKNJQSRZDU-UHFFFAOYSA-N 1 2 333.435 3.530 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000675783399 1130479076 /nfs/dbraw/zinc/47/90/76/1130479076.db2.gz HTALLUOWDFDDHX-SFHVURJKSA-N 1 2 341.455 3.523 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)n1 ZINC000675893884 1130497170 /nfs/dbraw/zinc/49/71/70/1130497170.db2.gz UHIDFMMOLIRTMW-ZDUSSCGKSA-N 1 2 344.850 3.549 20 0 EHADLO Cn1c2ccc(N[C@H](c3nnc[nH]3)c3ccccc3)cc2[nH+]c1C1CC1 ZINC000675913799 1130506781 /nfs/dbraw/zinc/50/67/81/1130506781.db2.gz UGTBGXLMCMCBDO-SFHVURJKSA-N 1 2 344.422 3.770 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000536031545 1130591520 /nfs/dbraw/zinc/59/15/20/1130591520.db2.gz BZKVULONVGKLBJ-SFHVURJKSA-N 1 2 348.402 3.988 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000536031545 1130591523 /nfs/dbraw/zinc/59/15/23/1130591523.db2.gz BZKVULONVGKLBJ-SFHVURJKSA-N 1 2 348.402 3.988 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000536037432 1130591898 /nfs/dbraw/zinc/59/18/98/1130591898.db2.gz ZVHXKRFRWKJZHZ-INIZCTEOSA-N 1 2 340.423 3.957 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000536037432 1130591903 /nfs/dbraw/zinc/59/19/03/1130591903.db2.gz ZVHXKRFRWKJZHZ-INIZCTEOSA-N 1 2 340.423 3.957 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000727818890 1130600135 /nfs/dbraw/zinc/60/01/35/1130600135.db2.gz KKSKCLICGYKICM-MRXNPFEDSA-N 1 2 348.491 3.973 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000727818890 1130600139 /nfs/dbraw/zinc/60/01/39/1130600139.db2.gz KKSKCLICGYKICM-MRXNPFEDSA-N 1 2 348.491 3.973 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(Cc2ccccc2OC)oc1=S ZINC000727825642 1130601613 /nfs/dbraw/zinc/60/16/13/1130601613.db2.gz WLBQBEDMKPSSIU-CQSZACIVSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(Cc2ccccc2OC)oc1=S ZINC000727825642 1130601616 /nfs/dbraw/zinc/60/16/16/1130601616.db2.gz WLBQBEDMKPSSIU-CQSZACIVSA-N 1 2 333.457 3.637 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cc(C)ccc2C)n1 ZINC000728021806 1130617132 /nfs/dbraw/zinc/61/71/32/1130617132.db2.gz HIHBXOKEOFMSKI-UHFFFAOYSA-N 1 2 331.485 3.783 20 0 EHADLO O=C(/C=C\Sc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000728167451 1130642337 /nfs/dbraw/zinc/64/23/37/1130642337.db2.gz YKPGZNPBRFDQMA-ZSOIEALJSA-N 1 2 344.505 3.698 20 0 EHADLO CCc1cccc(CC)c1NC(=S)NCCNc1cccc[nH+]1 ZINC000730593850 1130722760 /nfs/dbraw/zinc/72/27/60/1130722760.db2.gz UWTVPXYIKZKGRC-UHFFFAOYSA-N 1 2 328.485 3.605 20 0 EHADLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)Cc1cccs1 ZINC000731029346 1130759390 /nfs/dbraw/zinc/75/93/90/1130759390.db2.gz SRBBAUSMWYLDIL-UHFFFAOYSA-N 1 2 332.425 3.591 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(=S)s1 ZINC000731205784 1130778781 /nfs/dbraw/zinc/77/87/81/1130778781.db2.gz COXAPGHIZPKCSZ-HNNXBMFYSA-N 1 2 348.541 3.967 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c(=S)s1 ZINC000731205784 1130778785 /nfs/dbraw/zinc/77/87/85/1130778785.db2.gz COXAPGHIZPKCSZ-HNNXBMFYSA-N 1 2 348.541 3.967 20 0 EHADLO O=C(C=C1CCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732137092 1130889439 /nfs/dbraw/zinc/88/94/39/1130889439.db2.gz ALBYVHYTYWSVFD-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO O=C(C=C1CCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732137092 1130889447 /nfs/dbraw/zinc/88/94/47/1130889447.db2.gz ALBYVHYTYWSVFD-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000732183507 1130894474 /nfs/dbraw/zinc/89/44/74/1130894474.db2.gz MIQYYJWLRDNNKZ-CYBMUJFWSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000732183507 1130894481 /nfs/dbraw/zinc/89/44/81/1130894481.db2.gz MIQYYJWLRDNNKZ-CYBMUJFWSA-N 1 2 335.473 3.740 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000733291931 1131021805 /nfs/dbraw/zinc/02/18/05/1131021805.db2.gz PNQVCUFQHYBLAO-ZDUSSCGKSA-N 1 2 349.887 3.592 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000733291931 1131021811 /nfs/dbraw/zinc/02/18/11/1131021811.db2.gz PNQVCUFQHYBLAO-ZDUSSCGKSA-N 1 2 349.887 3.592 20 0 EHADLO O=C(CCc1cnc2ccccc2c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000347993258 1131113308 /nfs/dbraw/zinc/11/33/08/1131113308.db2.gz OEXCPPGOSFBVAA-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)c(F)c1 ZINC000348048917 1131128138 /nfs/dbraw/zinc/12/81/38/1131128138.db2.gz HMRJHJZDNKVXRC-UHFFFAOYSA-N 1 2 334.416 3.546 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(Cl)s1 ZINC000282634098 1131128190 /nfs/dbraw/zinc/12/81/90/1131128190.db2.gz GBJJTLXYQQTYEK-UHFFFAOYSA-N 1 2 339.892 3.642 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734009833 1131182672 /nfs/dbraw/zinc/18/26/72/1131182672.db2.gz XNHJEXLONKQMTQ-FUHWJXTLSA-N 1 2 340.471 3.888 20 0 EHADLO O=C(NCc1coc2ccccc12)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734009198 1131183176 /nfs/dbraw/zinc/18/31/76/1131183176.db2.gz KVYZDZWPCXOSMM-UHFFFAOYSA-N 1 2 346.390 3.618 20 0 EHADLO Fc1ccc(C[C@H]2CC[N@H+](Cn3nc4ccccn4c3=S)C2)cc1 ZINC000736590331 1131426819 /nfs/dbraw/zinc/42/68/19/1131426819.db2.gz TVBGTJTUPOPAPC-OAHLLOKOSA-N 1 2 342.443 3.526 20 0 EHADLO Fc1ccc(C[C@H]2CC[N@@H+](Cn3nc4ccccn4c3=S)C2)cc1 ZINC000736590331 1131426822 /nfs/dbraw/zinc/42/68/22/1131426822.db2.gz TVBGTJTUPOPAPC-OAHLLOKOSA-N 1 2 342.443 3.526 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC/C=C/c1ccccc1 ZINC000737806182 1131456065 /nfs/dbraw/zinc/45/60/65/1131456065.db2.gz JEPJRYNDLRVTKM-JGZYNSJSSA-N 1 2 325.456 3.908 20 0 EHADLO CC[N@H+](Cn1nc(C)n(CCc2cccs2)c1=S)C1CCC1 ZINC000738051807 1131461240 /nfs/dbraw/zinc/46/12/40/1131461240.db2.gz DBUGOZNUNRYVLV-UHFFFAOYSA-N 1 2 336.530 3.859 20 0 EHADLO CC[N@@H+](Cn1nc(C)n(CCc2cccs2)c1=S)C1CCC1 ZINC000738051807 1131461242 /nfs/dbraw/zinc/46/12/42/1131461242.db2.gz DBUGOZNUNRYVLV-UHFFFAOYSA-N 1 2 336.530 3.859 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000738225787 1131463593 /nfs/dbraw/zinc/46/35/93/1131463593.db2.gz UJTLGIGJJVUKHD-CYBMUJFWSA-N 1 2 334.464 3.979 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000738225787 1131463597 /nfs/dbraw/zinc/46/35/97/1131463597.db2.gz UJTLGIGJJVUKHD-CYBMUJFWSA-N 1 2 334.464 3.979 20 0 EHADLO Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738391632 1131469379 /nfs/dbraw/zinc/46/93/79/1131469379.db2.gz LUEICXHJHSUTQE-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO C[C@@H](CNC(=O)c1sccc1-c1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000740727325 1131538648 /nfs/dbraw/zinc/53/86/48/1131538648.db2.gz LWNIMAZBTSABQM-ZDUSSCGKSA-N 1 2 343.427 3.817 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860946 1131553821 /nfs/dbraw/zinc/55/38/21/1131553821.db2.gz SPDQXPOTPMJZFL-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000740860946 1131553826 /nfs/dbraw/zinc/55/38/26/1131553826.db2.gz SPDQXPOTPMJZFL-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO CC(C)[C@H](OC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C(=O)c1ccccc1 ZINC000741022179 1131570410 /nfs/dbraw/zinc/57/04/10/1131570410.db2.gz QTQOQQWTFGYEMV-FPXQBCRKSA-N 1 2 331.456 3.698 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150772 1131584105 /nfs/dbraw/zinc/58/41/05/1131584105.db2.gz MYGQBDRZZRPTGF-DZGCQCFKSA-N 1 2 345.443 3.664 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150772 1131584110 /nfs/dbraw/zinc/58/41/10/1131584110.db2.gz MYGQBDRZZRPTGF-DZGCQCFKSA-N 1 2 345.443 3.664 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000741786261 1131647910 /nfs/dbraw/zinc/64/79/10/1131647910.db2.gz DYWRUICLZOYQGS-GOEBONIOSA-N 1 2 335.444 3.573 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000741786261 1131647911 /nfs/dbraw/zinc/64/79/11/1131647911.db2.gz DYWRUICLZOYQGS-GOEBONIOSA-N 1 2 335.444 3.573 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741785987 1131647921 /nfs/dbraw/zinc/64/79/21/1131647921.db2.gz SBWZXNYISQSRCO-MRXNPFEDSA-N 1 2 348.805 3.936 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741785987 1131647923 /nfs/dbraw/zinc/64/79/23/1131647923.db2.gz SBWZXNYISQSRCO-MRXNPFEDSA-N 1 2 348.805 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CN2C[C@@H](C)CN(C)c3ccccc32)c1C ZINC000741801564 1131651618 /nfs/dbraw/zinc/65/16/18/1131651618.db2.gz ZAXMNLHNNDNVEL-AWEZNQCLSA-N 1 2 325.456 3.800 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(N(C)C)sc2=S)CC[C@@H]1c1ccccc1 ZINC000742164390 1131653341 /nfs/dbraw/zinc/65/33/41/1131653341.db2.gz HHUUENMBTCFPRT-ZFWWWQNUSA-N 1 2 348.541 3.823 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(N(C)C)sc2=S)CC[C@@H]1c1ccccc1 ZINC000742164390 1131653345 /nfs/dbraw/zinc/65/33/45/1131653345.db2.gz HHUUENMBTCFPRT-ZFWWWQNUSA-N 1 2 348.541 3.823 20 0 EHADLO S=C(NC1CCCCC1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741874442 1131662764 /nfs/dbraw/zinc/66/27/64/1131662764.db2.gz IAUZPSIKPORDOY-KRWDZBQOSA-N 1 2 340.496 3.694 20 0 EHADLO S=C(NCc1ccccc1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741874673 1131663084 /nfs/dbraw/zinc/66/30/84/1131663084.db2.gz JLAXKQFKTUVYKP-GOSISDBHSA-N 1 2 348.475 3.562 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000742014763 1131679521 /nfs/dbraw/zinc/67/95/21/1131679521.db2.gz SLEYQEPWXYLHGX-HVHJFMEUSA-N 1 2 344.842 3.852 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000742468743 1131733966 /nfs/dbraw/zinc/73/39/66/1131733966.db2.gz IYUVMIVLQCUWQR-KKMIYCERSA-N 1 2 338.451 3.549 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnc4ccccc4c3Cl)cc2)C1 ZINC001212667482 1131753951 /nfs/dbraw/zinc/75/39/51/1131753951.db2.gz VIBRWWPQUPATSR-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cc1ccc(C(F)(F)F)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212670156 1131779197 /nfs/dbraw/zinc/77/91/97/1131779197.db2.gz JNEICRGBLYFZMX-UHFFFAOYSA-N 1 2 336.357 3.934 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4c(Cl)ccnc4c3)cc2)C1 ZINC001212672350 1131788314 /nfs/dbraw/zinc/78/83/14/1131788314.db2.gz KOYWYWDTNRJZOL-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cc1nc2cc(Nc3ccc(C[NH+]4CC(O)C4)cc3)c(C)cc2s1 ZINC001212671433 1131794382 /nfs/dbraw/zinc/79/43/82/1131794382.db2.gz NBTRAKCPWGGRHE-UHFFFAOYSA-N 1 2 339.464 3.833 20 0 EHADLO CCOc1cccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000742991874 1131826253 /nfs/dbraw/zinc/82/62/53/1131826253.db2.gz GIKXPLWWXNHHMI-MRXNPFEDSA-N 1 2 346.500 3.683 20 0 EHADLO CCC[C@@H]([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OCc1ccccc1 ZINC001172753170 1131834886 /nfs/dbraw/zinc/83/48/86/1131834886.db2.gz SLWUCWSXGZLOGL-FUHWJXTLSA-N 1 2 349.471 3.608 20 0 EHADLO CCC1(O)CC[NH+](Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000742171570 1131847629 /nfs/dbraw/zinc/84/76/29/1131847629.db2.gz MRRWBLKDQOGQJE-UHFFFAOYSA-N 1 2 336.432 3.811 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000743351913 1131896893 /nfs/dbraw/zinc/89/68/93/1131896893.db2.gz UVKOEQXIDFKOKL-HNNXBMFYSA-N 1 2 349.272 3.699 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000743351913 1131896903 /nfs/dbraw/zinc/89/69/03/1131896903.db2.gz UVKOEQXIDFKOKL-HNNXBMFYSA-N 1 2 349.272 3.699 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CC[C@H](c3ccccc3)C1)c2=O ZINC000743357224 1131900622 /nfs/dbraw/zinc/90/06/22/1131900622.db2.gz ROJZIAZUQRXQJL-INIZCTEOSA-N 1 2 339.464 3.522 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CC[C@H](c3ccccc3)C1)c2=O ZINC000743357224 1131900625 /nfs/dbraw/zinc/90/06/25/1131900625.db2.gz ROJZIAZUQRXQJL-INIZCTEOSA-N 1 2 339.464 3.522 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)C1=O ZINC000743374206 1131904499 /nfs/dbraw/zinc/90/44/99/1131904499.db2.gz PAVXXFQUGVNXMJ-WIBUTAKZSA-N 1 2 346.446 3.587 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)C1=O ZINC000743374206 1131904505 /nfs/dbraw/zinc/90/45/05/1131904505.db2.gz PAVXXFQUGVNXMJ-WIBUTAKZSA-N 1 2 346.446 3.587 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@H]1c1ccccc1 ZINC000743349883 1131907778 /nfs/dbraw/zinc/90/77/78/1131907778.db2.gz WVFASYMXXQDAKL-KBXCAEBGSA-N 1 2 326.465 3.890 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@H]1c1ccccc1 ZINC000743349883 1131907785 /nfs/dbraw/zinc/90/77/85/1131907785.db2.gz WVFASYMXXQDAKL-KBXCAEBGSA-N 1 2 326.465 3.890 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000743390558 1131908407 /nfs/dbraw/zinc/90/84/07/1131908407.db2.gz FPIUOOHVSIQQRQ-UHFFFAOYSA-N 1 2 332.448 3.766 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000743390558 1131908412 /nfs/dbraw/zinc/90/84/12/1131908412.db2.gz FPIUOOHVSIQQRQ-UHFFFAOYSA-N 1 2 332.448 3.766 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397992 1131910287 /nfs/dbraw/zinc/91/02/87/1131910287.db2.gz FJVVCLAKOKSVKT-HOTGVXAUSA-N 1 2 348.541 3.967 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397992 1131910290 /nfs/dbraw/zinc/91/02/90/1131910290.db2.gz FJVVCLAKOKSVKT-HOTGVXAUSA-N 1 2 348.541 3.967 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000743407729 1131917571 /nfs/dbraw/zinc/91/75/71/1131917571.db2.gz UPAQJIUZPNKXJK-KRWDZBQOSA-N 1 2 339.553 3.921 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000743407729 1131917578 /nfs/dbraw/zinc/91/75/78/1131917578.db2.gz UPAQJIUZPNKXJK-KRWDZBQOSA-N 1 2 339.553 3.921 20 0 EHADLO Cc1cnn(-c2ccccn2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695268 1131925590 /nfs/dbraw/zinc/92/55/90/1131925590.db2.gz WHNRUHDGXRFWOH-UHFFFAOYSA-N 1 2 330.395 3.564 20 0 EHADLO CC1(C)CNC(=O)c2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212699888 1131934538 /nfs/dbraw/zinc/93/45/38/1131934538.db2.gz IRHVHESHXATDLP-UHFFFAOYSA-N 1 2 346.434 3.696 20 0 EHADLO COC(=O)c1c(F)cc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697959 1131936487 /nfs/dbraw/zinc/93/64/87/1131936487.db2.gz DKSOGVDGWCAEFC-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1C ZINC000743575680 1131945157 /nfs/dbraw/zinc/94/51/57/1131945157.db2.gz WPAHFILYRKFGCH-KBXCAEBGSA-N 1 2 339.439 3.610 20 0 EHADLO CC(C)CC[C@H]([NH2+][C@@H]1CCc2ncsc2C1)C(=O)OC(C)(C)C ZINC001173130343 1131976699 /nfs/dbraw/zinc/97/66/99/1131976699.db2.gz WGYNVBNGMLWZKY-HIFRSBDPSA-N 1 2 338.517 3.737 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000743839075 1131983518 /nfs/dbraw/zinc/98/35/18/1131983518.db2.gz ATHMHVVWCZBABO-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000743839075 1131983521 /nfs/dbraw/zinc/98/35/21/1131983521.db2.gz ATHMHVVWCZBABO-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000743868318 1131993530 /nfs/dbraw/zinc/99/35/30/1131993530.db2.gz SZBGRZVAVCYLQK-UHFFFAOYSA-N 1 2 346.478 3.757 20 0 EHADLO CCc1ccc(C[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C)cc1 ZINC001173242535 1132030305 /nfs/dbraw/zinc/03/03/05/1132030305.db2.gz VPFCTTBTDPKONH-QAPCUYQASA-N 1 2 337.529 3.843 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 ZINC000744320500 1132065349 /nfs/dbraw/zinc/06/53/49/1132065349.db2.gz YNQWFIMSGRHHON-OAHLLOKOSA-N 1 2 344.484 3.827 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)C(C)(C)C ZINC001173477218 1132075509 /nfs/dbraw/zinc/07/55/09/1132075509.db2.gz IVWPRCKUDHVKGR-MRXNPFEDSA-N 1 2 339.426 3.778 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000744433311 1132097235 /nfs/dbraw/zinc/09/72/35/1132097235.db2.gz ACFKJFIHRVXXDP-AEFFLSMTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000744433311 1132097242 /nfs/dbraw/zinc/09/72/42/1132097242.db2.gz ACFKJFIHRVXXDP-AEFFLSMTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC[N@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000744437413 1132098825 /nfs/dbraw/zinc/09/88/25/1132098825.db2.gz SMODBKAFOZLXRY-CQSZACIVSA-N 1 2 334.464 3.868 20 0 EHADLO CC(C)C[C@H]1CC[N@@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000744437413 1132098831 /nfs/dbraw/zinc/09/88/31/1132098831.db2.gz SMODBKAFOZLXRY-CQSZACIVSA-N 1 2 334.464 3.868 20 0 EHADLO Cc1cc(CO)cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001212751679 1132126857 /nfs/dbraw/zinc/12/68/57/1132126857.db2.gz TZMIJBGMTUQOSW-UHFFFAOYSA-N 1 2 329.400 3.973 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1)C(=O)OC(C)(C)C ZINC001173712518 1132132732 /nfs/dbraw/zinc/13/27/32/1132132732.db2.gz AFBFDJKISQVDOO-YOEHRIQHSA-N 1 2 349.471 3.504 20 0 EHADLO CCOc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173851658 1132154936 /nfs/dbraw/zinc/15/49/36/1132154936.db2.gz RGRYVSASEHQUIG-ZIAGYGMSSA-N 1 2 342.443 3.541 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1c(F)cccc1F ZINC001173860349 1132157008 /nfs/dbraw/zinc/15/70/08/1132157008.db2.gz UULSIMDMTFNBLW-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO COc1cc(OC)c(Nc2ccc(N3CCCCC3)[nH+]c2)c(OC)c1 ZINC001173907003 1132170390 /nfs/dbraw/zinc/17/03/90/1132170390.db2.gz BVZYLELWYOLQMW-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000745088945 1132191500 /nfs/dbraw/zinc/19/15/00/1132191500.db2.gz YZYYZKVKFDFEEP-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000745088945 1132191505 /nfs/dbraw/zinc/19/15/05/1132191505.db2.gz YZYYZKVKFDFEEP-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084438 1132195152 /nfs/dbraw/zinc/19/51/52/1132195152.db2.gz TYPGXRVATKBXPY-MAUKXSAKSA-N 1 2 346.471 3.555 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084438 1132195155 /nfs/dbraw/zinc/19/51/55/1132195155.db2.gz TYPGXRVATKBXPY-MAUKXSAKSA-N 1 2 346.471 3.555 20 0 EHADLO CC(=O)Nc1ccccc1Nc1ccc2[nH+]cc(Br)n2c1 ZINC001173993388 1132197922 /nfs/dbraw/zinc/19/79/22/1132197922.db2.gz JSYTYQDGOKNILV-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO O=C(c1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1)N1CCCC1 ZINC001174068530 1132232629 /nfs/dbraw/zinc/23/26/29/1132232629.db2.gz NYLYJALTARVLNH-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(C(=O)N3CCCCC3)cc2)c[nH+]1 ZINC001174072216 1132234192 /nfs/dbraw/zinc/23/41/92/1132234192.db2.gz BOLMFNQZJSMYGC-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1cn2cccc(Nc3ccc(C(=O)NCc4ccco4)cc3)c2[nH+]1 ZINC001174155488 1132257525 /nfs/dbraw/zinc/25/75/25/1132257525.db2.gz WDFYFYFECATQKU-UHFFFAOYSA-N 1 2 346.390 3.909 20 0 EHADLO O=C(NCc1ccco1)c1cccc(Nc2cccc3[nH+]ccn32)c1 ZINC001174197108 1132279734 /nfs/dbraw/zinc/27/97/34/1132279734.db2.gz GKRNFHQEKORTOR-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO COc1cc(Nc2cccc(C(=O)NC3CCCC3)c2)cc(C)[nH+]1 ZINC001174196662 1132280060 /nfs/dbraw/zinc/28/00/60/1132280060.db2.gz YWIJJYRIRRDJAR-UHFFFAOYSA-N 1 2 325.412 3.815 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000745782837 1132315484 /nfs/dbraw/zinc/31/54/84/1132315484.db2.gz HWOJQDNTJWKROH-HXUWFJFHSA-N 1 2 340.471 3.984 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000745983085 1132342768 /nfs/dbraw/zinc/34/27/68/1132342768.db2.gz DOMLBIUPFZVDDP-YPMHNXCESA-N 1 2 349.862 3.643 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000745983085 1132342772 /nfs/dbraw/zinc/34/27/72/1132342772.db2.gz DOMLBIUPFZVDDP-YPMHNXCESA-N 1 2 349.862 3.643 20 0 EHADLO CCn1cc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)cn1 ZINC001174568067 1132417693 /nfs/dbraw/zinc/41/76/93/1132417693.db2.gz NSFVPVDYZKRTEZ-UHFFFAOYSA-N 1 2 334.221 3.674 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)n1 ZINC000188677688 1132438253 /nfs/dbraw/zinc/43/82/53/1132438253.db2.gz INYPRUBEIFMGCY-UHFFFAOYSA-N 1 2 344.465 3.897 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)n1 ZINC000188677688 1132438259 /nfs/dbraw/zinc/43/82/59/1132438259.db2.gz INYPRUBEIFMGCY-UHFFFAOYSA-N 1 2 344.465 3.897 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000188906990 1132440233 /nfs/dbraw/zinc/44/02/33/1132440233.db2.gz KTVFXAPMPGJVKI-UHFFFAOYSA-N 1 2 339.370 3.590 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000188906990 1132440236 /nfs/dbraw/zinc/44/02/36/1132440236.db2.gz KTVFXAPMPGJVKI-UHFFFAOYSA-N 1 2 339.370 3.590 20 0 EHADLO Cc1cnc(NCc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000190338452 1132452612 /nfs/dbraw/zinc/45/26/12/1132452612.db2.gz FMHGNPOMLLPNIK-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cn1 ZINC001174760979 1132467961 /nfs/dbraw/zinc/46/79/61/1132467961.db2.gz CPPHWDINRNLEQX-GASCZTMLSA-N 1 2 342.443 3.621 20 0 EHADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192983078 1132477429 /nfs/dbraw/zinc/47/74/29/1132477429.db2.gz CYXASYGHLLSODU-LBPRGKRZSA-N 1 2 339.361 3.971 20 0 EHADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192983078 1132477434 /nfs/dbraw/zinc/47/74/34/1132477434.db2.gz CYXASYGHLLSODU-LBPRGKRZSA-N 1 2 339.361 3.971 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(Sc2ccccc2)CCCC1 ZINC000193212534 1132479210 /nfs/dbraw/zinc/47/92/10/1132479210.db2.gz GBQOLBWLLFNPPW-UHFFFAOYSA-N 1 2 329.469 3.564 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(Sc2ccccc2)CCCC1 ZINC000193212534 1132479215 /nfs/dbraw/zinc/47/92/15/1132479215.db2.gz GBQOLBWLLFNPPW-UHFFFAOYSA-N 1 2 329.469 3.564 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(Oc2ccccc2)c1 ZINC000193492932 1132481177 /nfs/dbraw/zinc/48/11/77/1132481177.db2.gz QXSFZHQYPVDNFY-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(Oc2ccccc2)c1 ZINC000193492932 1132481180 /nfs/dbraw/zinc/48/11/80/1132481180.db2.gz QXSFZHQYPVDNFY-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c(Br)c1 ZINC000194312110 1132487099 /nfs/dbraw/zinc/48/70/99/1132487099.db2.gz UACKPBDUFPPYNV-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO COCc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001174917537 1132504378 /nfs/dbraw/zinc/50/43/78/1132504378.db2.gz DEFXYVVGJBOCCX-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO C/C(=C\C(=O)NCCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000746386916 1132506079 /nfs/dbraw/zinc/50/60/79/1132506079.db2.gz XGDDYIMZPPSMQQ-VIZOYTHASA-N 1 2 327.472 3.552 20 0 EHADLO Clc1ccc2c(cncc2Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174975585 1132509333 /nfs/dbraw/zinc/50/93/33/1132509333.db2.gz ZNARVVUENLZYFM-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1cc(Br)cc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976417 1132510609 /nfs/dbraw/zinc/51/06/09/1132510609.db2.gz RXCQEMNFYYKQHD-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc(N(C)C)c3)c[nH+]2)C[C@H](C)O1 ZINC001174961688 1132519606 /nfs/dbraw/zinc/51/96/06/1132519606.db2.gz DKZNNSKXJYDIRK-GASCZTMLSA-N 1 2 326.444 3.505 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1OC(F)F ZINC001174979540 1132533780 /nfs/dbraw/zinc/53/37/80/1132533780.db2.gz OMDFRIZGVLTWTD-UHFFFAOYSA-N 1 2 335.354 3.572 20 0 EHADLO CC(C)COc1cc(F)cc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001175059076 1132538470 /nfs/dbraw/zinc/53/84/70/1132538470.db2.gz PJIRRRMQGOBLQA-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c(Br)c2F)C1 ZINC001249461896 1132548040 /nfs/dbraw/zinc/54/80/40/1132548040.db2.gz MMLCGAMYRGOBKZ-GFCCVEGCSA-N 1 2 328.225 3.698 20 0 EHADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2F)C1 ZINC001249461896 1132548045 /nfs/dbraw/zinc/54/80/45/1132548045.db2.gz MMLCGAMYRGOBKZ-GFCCVEGCSA-N 1 2 328.225 3.698 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1c(F)cc(O)cc1F ZINC001175100190 1132552745 /nfs/dbraw/zinc/55/27/45/1132552745.db2.gz JEJMEROFAZRMFB-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO CCOc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001175090543 1132564874 /nfs/dbraw/zinc/56/48/74/1132564874.db2.gz IOALLSLWLISPAF-GASCZTMLSA-N 1 2 327.428 3.838 20 0 EHADLO CCOC(=O)c1ncc(Cl)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347328 1132629010 /nfs/dbraw/zinc/62/90/10/1132629010.db2.gz JFGDJGLSEAIYEX-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO Fc1cccc2c(Cl)nnc(NCCc3cn4ccccc4[nH+]3)c12 ZINC001169000181 1132629127 /nfs/dbraw/zinc/62/91/27/1132629127.db2.gz GNVYDCYJELJDAD-UHFFFAOYSA-N 1 2 341.777 3.725 20 0 EHADLO CC1(C)COC(c2ccccc2NCCc2cn3ccccc3[nH+]2)=N1 ZINC001169009574 1132631694 /nfs/dbraw/zinc/63/16/94/1132631694.db2.gz RHUUBZWQYSPQIX-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO CN(C)c1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001175338128 1132643161 /nfs/dbraw/zinc/64/31/61/1132643161.db2.gz OMSPHRZQCXZUAN-UHFFFAOYSA-N 1 2 329.404 3.633 20 0 EHADLO COC(=O)c1nc2ccccc2cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349591 1132645611 /nfs/dbraw/zinc/64/56/11/1132645611.db2.gz ARUSGCZPVMNHBM-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C)ns1 ZINC001169174562 1132693085 /nfs/dbraw/zinc/69/30/85/1132693085.db2.gz ADUINARVIRLYQK-CQSZACIVSA-N 1 2 339.505 3.673 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C)ns1 ZINC001169174562 1132693086 /nfs/dbraw/zinc/69/30/86/1132693086.db2.gz ADUINARVIRLYQK-CQSZACIVSA-N 1 2 339.505 3.673 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(Cl)n1 ZINC001169216068 1132697358 /nfs/dbraw/zinc/69/73/58/1132697358.db2.gz DLULJRYKGGFJNZ-QGZVFWFLSA-N 1 2 326.831 3.656 20 0 EHADLO c1nnc(C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)[nH]1 ZINC001175530393 1132701528 /nfs/dbraw/zinc/70/15/28/1132701528.db2.gz DGUGODUBYOPQTD-KRWDZBQOSA-N 1 2 334.423 3.804 20 0 EHADLO c1nnc(C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)[nH]1 ZINC001175530393 1132701534 /nfs/dbraw/zinc/70/15/34/1132701534.db2.gz DGUGODUBYOPQTD-KRWDZBQOSA-N 1 2 334.423 3.804 20 0 EHADLO COc1cncc(CCNc2cc[nH+]c(OCc3ccccc3)c2)c1 ZINC001169264748 1132705402 /nfs/dbraw/zinc/70/54/02/1132705402.db2.gz QLWLJCOSUUSVFX-UHFFFAOYSA-N 1 2 335.407 3.719 20 0 EHADLO OCc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC001175562601 1132711690 /nfs/dbraw/zinc/71/16/90/1132711690.db2.gz FAMUZCSAHMVSHG-UHFFFAOYSA-N 1 2 329.197 3.655 20 0 EHADLO Cc1nc(-c2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2)no1 ZINC001175714597 1132742205 /nfs/dbraw/zinc/74/22/05/1132742205.db2.gz RVJDDAFRKPBPTC-UHFFFAOYSA-N 1 2 335.289 3.785 20 0 EHADLO CC(=O)c1c(F)cc(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716744 1132742921 /nfs/dbraw/zinc/74/29/21/1132742921.db2.gz XWKXMFSDRBFXGD-UHFFFAOYSA-N 1 2 331.244 3.907 20 0 EHADLO COc1cc(C(C)=O)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175717374 1132742975 /nfs/dbraw/zinc/74/29/75/1132742975.db2.gz SFQFFTQYJIRUSI-UHFFFAOYSA-N 1 2 343.280 3.777 20 0 EHADLO COc1ccc2ncc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2c1 ZINC001175707100 1132754180 /nfs/dbraw/zinc/75/41/80/1132754180.db2.gz VABLGUPTGJYEHI-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO Cc1nc(Cl)nc(Cl)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710084 1132755863 /nfs/dbraw/zinc/75/58/63/1132755863.db2.gz SFKDRFUOOVKCGS-UHFFFAOYSA-N 1 2 338.120 3.831 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507820 1132773950 /nfs/dbraw/zinc/77/39/50/1132773950.db2.gz SGZUIBNKEQBYNO-ZWKOTPCHSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507820 1132773953 /nfs/dbraw/zinc/77/39/53/1132773953.db2.gz SGZUIBNKEQBYNO-ZWKOTPCHSA-N 1 2 325.399 3.543 20 0 EHADLO c1csc(-c2cc(Nc3cccc(C[NH+]4CCOCC4)c3)on2)c1 ZINC001175856820 1132784892 /nfs/dbraw/zinc/78/48/92/1132784892.db2.gz OWEMNLKUUPGUNL-UHFFFAOYSA-N 1 2 341.436 3.979 20 0 EHADLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766780089 1132815703 /nfs/dbraw/zinc/81/57/03/1132815703.db2.gz NPKJYCSHPAAUFM-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766780089 1132815710 /nfs/dbraw/zinc/81/57/10/1132815710.db2.gz NPKJYCSHPAAUFM-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2cc(OC)c(C)c[nH+]2)c1 ZINC001176069880 1132827371 /nfs/dbraw/zinc/82/73/71/1132827371.db2.gz UATHWRLIXHZPIN-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766797682 1132831082 /nfs/dbraw/zinc/83/10/82/1132831082.db2.gz USJQOPCTBYLBJY-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766797682 1132831091 /nfs/dbraw/zinc/83/10/91/1132831091.db2.gz USJQOPCTBYLBJY-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO CN(C(=O)OC(C)(C)C)c1ccc(Nc2cccn3cc[nH+]c23)cn1 ZINC001176132551 1132842686 /nfs/dbraw/zinc/84/26/86/1132842686.db2.gz BWRLWENMAFKVFE-UHFFFAOYSA-N 1 2 339.399 3.844 20 0 EHADLO COc1cc[nH+]cc1-n1nc(-c2cccc(C)c2)c2cc(N)ccc21 ZINC001176124891 1132855096 /nfs/dbraw/zinc/85/50/96/1132855096.db2.gz UFOBHAOLSFYEQS-UHFFFAOYSA-N 1 2 330.391 3.987 20 0 EHADLO Cc1csc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001176182618 1132859026 /nfs/dbraw/zinc/85/90/26/1132859026.db2.gz SQVHDVNJFCDIEA-UHFFFAOYSA-N 1 2 325.437 3.873 20 0 EHADLO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1ccc([NH+](C)C)c(C)c1 ZINC001169924087 1132905923 /nfs/dbraw/zinc/90/59/23/1132905923.db2.gz KTKBJZUCWFAWEP-CQSZACIVSA-N 1 2 339.439 3.608 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001176297605 1132907196 /nfs/dbraw/zinc/90/71/96/1132907196.db2.gz DROOKTRAYQVKPS-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc2nsnc21 ZINC000766913218 1132913427 /nfs/dbraw/zinc/91/34/27/1132913427.db2.gz DRHWADMZFWXIPI-KRWDZBQOSA-N 1 2 349.463 3.915 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc2nsnc21 ZINC000766913218 1132913430 /nfs/dbraw/zinc/91/34/30/1132913430.db2.gz DRHWADMZFWXIPI-KRWDZBQOSA-N 1 2 349.463 3.915 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc3ccsc32)c1C ZINC000767071028 1132941310 /nfs/dbraw/zinc/94/13/10/1132941310.db2.gz HBKCLZWQEBHBNA-UHFFFAOYSA-N 1 2 326.421 3.852 20 0 EHADLO Cn1cc(Nc2ccccc2C[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC001176568833 1132968998 /nfs/dbraw/zinc/96/89/98/1132968998.db2.gz DAPOXKZSYZGIQR-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610264 1132971236 /nfs/dbraw/zinc/97/12/36/1132971236.db2.gz NMZMIDSPGDJYFC-FOIQADDNSA-N 1 2 329.440 3.657 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610264 1132971240 /nfs/dbraw/zinc/97/12/40/1132971240.db2.gz NMZMIDSPGDJYFC-FOIQADDNSA-N 1 2 329.440 3.657 20 0 EHADLO COC(=O)c1nc2ccccc2cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176748859 1132991936 /nfs/dbraw/zinc/99/19/36/1132991936.db2.gz FNJKAUMKBSZQRW-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO CC(C)(C)c1cc2ncc(Nc3ccc[nH+]c3N3CCCC3)cn2n1 ZINC001176748822 1132992139 /nfs/dbraw/zinc/99/21/39/1132992139.db2.gz COZXYXZLDLMTBS-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO COc1ccnc(Br)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749923 1132993302 /nfs/dbraw/zinc/99/33/02/1132993302.db2.gz NNEHMFDEWDFZQB-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1cccnc1[C@H](C)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001176896770 1133012051 /nfs/dbraw/zinc/01/20/51/1133012051.db2.gz IVGDZIOVOILSKA-ZDUSSCGKSA-N 1 2 328.366 3.705 20 0 EHADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001176896769 1133012381 /nfs/dbraw/zinc/01/23/81/1133012381.db2.gz IVGDZIOVOILSKA-CYBMUJFWSA-N 1 2 328.366 3.705 20 0 EHADLO CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC001176957279 1133015641 /nfs/dbraw/zinc/01/56/41/1133015641.db2.gz FEBQIQXRRRKMPW-CQSZACIVSA-N 1 2 342.443 3.513 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)CCO1 ZINC001176996719 1133020869 /nfs/dbraw/zinc/02/08/69/1133020869.db2.gz ZZFZVYGRYQSZNA-HNNXBMFYSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)CCO1 ZINC001176996719 1133020872 /nfs/dbraw/zinc/02/08/72/1133020872.db2.gz ZZFZVYGRYQSZNA-HNNXBMFYSA-N 1 2 331.485 3.842 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC001177014492 1133021244 /nfs/dbraw/zinc/02/12/44/1133021244.db2.gz ZHKGVXJYADFVHI-SFHVURJKSA-N 1 2 344.455 3.643 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)NC1CCCCCC1 ZINC000773663168 1133061650 /nfs/dbraw/zinc/06/16/50/1133061650.db2.gz HAALFMJCFQQCIJ-UHFFFAOYSA-N 1 2 347.890 3.663 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)NC1CCCCCC1 ZINC000773663168 1133061654 /nfs/dbraw/zinc/06/16/54/1133061654.db2.gz HAALFMJCFQQCIJ-UHFFFAOYSA-N 1 2 347.890 3.663 20 0 EHADLO C[N@H+](CC1CCOCC1)Cn1nc(-c2ccccc2)sc1=S ZINC000767985067 1133081534 /nfs/dbraw/zinc/08/15/34/1133081534.db2.gz YIDQFIADUFONER-UHFFFAOYSA-N 1 2 335.498 3.657 20 0 EHADLO C[N@@H+](CC1CCOCC1)Cn1nc(-c2ccccc2)sc1=S ZINC000767985067 1133081537 /nfs/dbraw/zinc/08/15/37/1133081537.db2.gz YIDQFIADUFONER-UHFFFAOYSA-N 1 2 335.498 3.657 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cscn1 ZINC000768107490 1133095245 /nfs/dbraw/zinc/09/52/45/1133095245.db2.gz ZGEGSFDYQCOXNH-QWHCGFSZSA-N 1 2 349.475 3.655 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000768107489 1133095356 /nfs/dbraw/zinc/09/53/56/1133095356.db2.gz ZGEGSFDYQCOXNH-OLZOCXBDSA-N 1 2 349.475 3.655 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000768148663 1133098075 /nfs/dbraw/zinc/09/80/75/1133098075.db2.gz WINADVJPKLJVBD-SYCZXOQXSA-N 1 2 343.858 3.883 20 0 EHADLO Brc1cccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC001177830603 1133106069 /nfs/dbraw/zinc/10/60/69/1133106069.db2.gz YHVGDARMQSQECC-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(F)cccc2F)C1 ZINC001204206138 1133109182 /nfs/dbraw/zinc/10/91/82/1133109182.db2.gz RPXNGGHYFYXDTK-CHWSQXEVSA-N 1 2 340.414 3.700 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204206138 1133109186 /nfs/dbraw/zinc/10/91/86/1133109186.db2.gz RPXNGGHYFYXDTK-CHWSQXEVSA-N 1 2 340.414 3.700 20 0 EHADLO C[C@H](C(=O)N(C)Cc1sc2ccccc2c1Cl)n1cc[nH+]c1 ZINC001177922000 1133114111 /nfs/dbraw/zinc/11/41/11/1133114111.db2.gz MEZGHMXZMWOFBY-LLVKDONJSA-N 1 2 333.844 3.971 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](CCO)C1CC1 ZINC000768329217 1133125554 /nfs/dbraw/zinc/12/55/54/1133125554.db2.gz AFFJHKLBKHAUQT-UHFFFAOYSA-N 1 2 347.890 3.665 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000768329217 1133125555 /nfs/dbraw/zinc/12/55/55/1133125555.db2.gz AFFJHKLBKHAUQT-UHFFFAOYSA-N 1 2 347.890 3.665 20 0 EHADLO Cc1cc(C)c(/C=C\CNc2ccc(N(C)CCO)c[nH+]2)cc1C ZINC001178060665 1133128380 /nfs/dbraw/zinc/12/83/80/1133128380.db2.gz WDYRMEGIIFRSCY-WAYWQWQTSA-N 1 2 325.456 3.561 20 0 EHADLO Cc1c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)snc1-c1ccccc1 ZINC001178104030 1133131792 /nfs/dbraw/zinc/13/17/92/1133131792.db2.gz YAOYYPNLXQWGTO-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101544 1133131835 /nfs/dbraw/zinc/13/18/35/1133131835.db2.gz ZSZNNSRWHFJWAA-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO O=C(c1ccc(-n2cccc2)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178094609 1133134979 /nfs/dbraw/zinc/13/49/79/1133134979.db2.gz JSTDBJGYQLLGII-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768506227 1133146966 /nfs/dbraw/zinc/14/69/66/1133146966.db2.gz XVDABWVCTDPCBT-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768506227 1133146968 /nfs/dbraw/zinc/14/69/68/1133146968.db2.gz XVDABWVCTDPCBT-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1c(NCc2c[nH+]c3c(C)cccn23)cnn1-c1ccccc1F ZINC001178218707 1133147369 /nfs/dbraw/zinc/14/73/69/1133147369.db2.gz XIJKXRICUZHPSY-UHFFFAOYSA-N 1 2 335.386 3.888 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cc(C)oc1C)CC3 ZINC000768549732 1133154625 /nfs/dbraw/zinc/15/46/25/1133154625.db2.gz ZBXHPBHBKNYNAF-UHFFFAOYSA-N 1 2 338.407 3.723 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cc(C)oc1C)CC3 ZINC000768549732 1133154627 /nfs/dbraw/zinc/15/46/27/1133154627.db2.gz ZBXHPBHBKNYNAF-UHFFFAOYSA-N 1 2 338.407 3.723 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)CCN1C(=O)OC(C)(C)C ZINC001204214131 1133155098 /nfs/dbraw/zinc/15/50/98/1133155098.db2.gz HZJUXZQOUXZUDV-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)CCN1C(=O)OC(C)(C)C ZINC001204214131 1133155101 /nfs/dbraw/zinc/15/51/01/1133155101.db2.gz HZJUXZQOUXZUDV-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO Cc1oc(C(C)(C)C)cc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC001178383301 1133161556 /nfs/dbraw/zinc/16/15/56/1133161556.db2.gz ZXGMHZHLECFQDR-UHFFFAOYSA-N 1 2 343.471 3.725 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001178406006 1133166434 /nfs/dbraw/zinc/16/64/34/1133166434.db2.gz KZFRLHQSTPTHIG-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000773767081 1133193795 /nfs/dbraw/zinc/19/37/95/1133193795.db2.gz VMNVBVBODKYKDE-ICSRJNTNSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000773767081 1133193798 /nfs/dbraw/zinc/19/37/98/1133193798.db2.gz VMNVBVBODKYKDE-ICSRJNTNSA-N 1 2 345.870 3.973 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)[nH+]1 ZINC001179091739 1133226736 /nfs/dbraw/zinc/22/67/36/1133226736.db2.gz BJJLATNVJNNXNL-INIZCTEOSA-N 1 2 329.444 3.706 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c[nH+]1 ZINC001179091739 1133226744 /nfs/dbraw/zinc/22/67/44/1133226744.db2.gz BJJLATNVJNNXNL-INIZCTEOSA-N 1 2 329.444 3.706 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)cc2)nn1 ZINC001179081949 1133227839 /nfs/dbraw/zinc/22/78/39/1133227839.db2.gz QOLJVZOVXZVFQC-UHFFFAOYSA-N 1 2 346.793 3.690 20 0 EHADLO Fc1cccc(Br)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001179315944 1133243921 /nfs/dbraw/zinc/24/39/21/1133243921.db2.gz OLQGYIUKIXDWBP-ZDUSSCGKSA-N 1 2 341.268 3.695 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000769234501 1133247871 /nfs/dbraw/zinc/24/78/71/1133247871.db2.gz TYYLOYVWNTXITH-UHFFFAOYSA-N 1 2 335.879 3.893 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000769234501 1133247877 /nfs/dbraw/zinc/24/78/77/1133247877.db2.gz TYYLOYVWNTXITH-UHFFFAOYSA-N 1 2 335.879 3.893 20 0 EHADLO Brc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)nc1 ZINC001179385540 1133248969 /nfs/dbraw/zinc/24/89/69/1133248969.db2.gz BBOMXCOVTNOOAF-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO COc1cccc2[nH]c(NCc3ccc(F)c(F)c3N(C)C)[nH+]c21 ZINC001179497450 1133256522 /nfs/dbraw/zinc/25/65/22/1133256522.db2.gz GTJJHIWJJKFCRX-UHFFFAOYSA-N 1 2 332.354 3.528 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000769341632 1133266479 /nfs/dbraw/zinc/26/64/79/1133266479.db2.gz FNGFWORHRLIGFY-INIZCTEOSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000769341632 1133266480 /nfs/dbraw/zinc/26/64/80/1133266480.db2.gz FNGFWORHRLIGFY-INIZCTEOSA-N 1 2 341.282 3.970 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)o1 ZINC000769401258 1133277018 /nfs/dbraw/zinc/27/70/18/1133277018.db2.gz DWCMHGZMSTTWOJ-KRWDZBQOSA-N 1 2 332.831 3.787 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)o1 ZINC000769401258 1133277023 /nfs/dbraw/zinc/27/70/23/1133277023.db2.gz DWCMHGZMSTTWOJ-KRWDZBQOSA-N 1 2 332.831 3.787 20 0 EHADLO CC(C)(C)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC001180042622 1133320585 /nfs/dbraw/zinc/32/05/85/1133320585.db2.gz FZJVPCJTRVEWTO-JXMROGBWSA-N 1 2 339.483 3.803 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769649551 1133326048 /nfs/dbraw/zinc/32/60/48/1133326048.db2.gz WFDBXGRWYHNIKY-UHFFFAOYSA-N 1 2 349.862 3.701 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001180326090 1133361801 /nfs/dbraw/zinc/36/18/01/1133361801.db2.gz GUYBGTRISIXQJK-GOSISDBHSA-N 1 2 333.863 3.691 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001180326090 1133361804 /nfs/dbraw/zinc/36/18/04/1133361804.db2.gz GUYBGTRISIXQJK-GOSISDBHSA-N 1 2 333.863 3.691 20 0 EHADLO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(Cl)cc1O ZINC001180462339 1133378081 /nfs/dbraw/zinc/37/80/81/1133378081.db2.gz IWKRZSQOCPRPSC-UHFFFAOYSA-N 1 2 346.858 3.685 20 0 EHADLO CCCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCc2ccccc2C1 ZINC000770080074 1133384730 /nfs/dbraw/zinc/38/47/30/1133384730.db2.gz XFSYUFIFYHQQRH-SFHVURJKSA-N 1 2 333.435 3.744 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000151245816 1133413461 /nfs/dbraw/zinc/41/34/61/1133413461.db2.gz MQKGIMSGSPGVBJ-UHFFFAOYSA-N 1 2 348.431 3.749 20 0 EHADLO O=C(Nc1ccccc1NCC(F)(F)F)c1cccc2[nH+]ccn21 ZINC000770419826 1133426712 /nfs/dbraw/zinc/42/67/12/1133426712.db2.gz SNLVUHNRHIJXIS-UHFFFAOYSA-N 1 2 334.301 3.561 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)cc1)N1CCc2[nH+]ccn2CC1 ZINC001180942541 1133433258 /nfs/dbraw/zinc/43/32/58/1133433258.db2.gz IPQKHDSMPJYTGX-UHFFFAOYSA-N 1 2 345.446 3.568 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000770525287 1133442277 /nfs/dbraw/zinc/44/22/77/1133442277.db2.gz WMTFDJBDDQIFHV-STEAMIEHSA-N 1 2 332.488 3.916 20 0 EHADLO CCCC(=CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CCC ZINC000770594941 1133448954 /nfs/dbraw/zinc/44/89/54/1133448954.db2.gz ANTFCBUVBNYZPJ-UHFFFAOYSA-N 1 2 330.472 3.984 20 0 EHADLO Cn1c[nH+]cc1COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000770603789 1133451919 /nfs/dbraw/zinc/45/19/19/1133451919.db2.gz ZSEFIVUWQMFHOV-AWNIVKPZSA-N 1 2 344.720 3.763 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CC[C@H](C)C3(CCC3)C1)c2=O ZINC000770670062 1133457207 /nfs/dbraw/zinc/45/72/07/1133457207.db2.gz HQOUHVPLQMIWHH-ZDUSSCGKSA-N 1 2 331.485 3.544 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CC[C@H](C)C3(CCC3)C1)c2=O ZINC000770670062 1133457210 /nfs/dbraw/zinc/45/72/10/1133457210.db2.gz HQOUHVPLQMIWHH-ZDUSSCGKSA-N 1 2 331.485 3.544 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000770760645 1133465686 /nfs/dbraw/zinc/46/56/86/1133465686.db2.gz LSZHMJYLAQYYGF-MRXNPFEDSA-N 1 2 338.455 3.594 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cccnc1N ZINC001181242604 1133467931 /nfs/dbraw/zinc/46/79/31/1133467931.db2.gz AFJITJXSSASMHX-CQSZACIVSA-N 1 2 346.272 3.763 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cccnc1N ZINC001181242604 1133467933 /nfs/dbraw/zinc/46/79/33/1133467933.db2.gz AFJITJXSSASMHX-CQSZACIVSA-N 1 2 346.272 3.763 20 0 EHADLO C/C=C(/CC)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181360696 1133480890 /nfs/dbraw/zinc/48/08/90/1133480890.db2.gz VTDIXGWXMMUKNY-CQPUUCJISA-N 1 2 331.847 3.600 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922225 1133484524 /nfs/dbraw/zinc/48/45/24/1133484524.db2.gz YZMFOEXFTLGIJR-CQSZACIVSA-N 1 2 326.421 3.806 20 0 EHADLO CC(C)(C)c1ccc(OCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770921777 1133484674 /nfs/dbraw/zinc/48/46/74/1133484674.db2.gz HEYBMODUFPXHAQ-UHFFFAOYSA-N 1 2 338.407 3.754 20 0 EHADLO CCNc1ncc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)s1 ZINC000771003435 1133497109 /nfs/dbraw/zinc/49/71/09/1133497109.db2.gz JOQLFHLWFKQOSH-UHFFFAOYSA-N 1 2 341.440 3.834 20 0 EHADLO C[C@@H](c1nc(C(C)(C)c2ccc(Br)cc2)no1)[NH+](C)C ZINC000771227683 1133523114 /nfs/dbraw/zinc/52/31/14/1133523114.db2.gz IRPOOFAQQILIKV-JTQLQIEISA-N 1 2 338.249 3.781 20 0 EHADLO O=C(NCC(F)F)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243901 1133599670 /nfs/dbraw/zinc/59/96/70/1133599670.db2.gz KVKLRBNEGFOBKY-HNNXBMFYSA-N 1 2 330.806 3.638 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)C[C@H]1CF)c1ccccc1Cl ZINC001182225144 1133599856 /nfs/dbraw/zinc/59/98/56/1133599856.db2.gz OIJOSTXHQYPLSF-GRDNDAEWSA-N 1 2 340.870 3.929 20 0 EHADLO Cn1cncc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246438 1133600775 /nfs/dbraw/zinc/60/07/75/1133600775.db2.gz XGRINFVZKMAMNH-QGZVFWFLSA-N 1 2 346.862 3.629 20 0 EHADLO C[C@H](Cc1ccco1)Nc1cc(N[C@H](C)Cc2ccco2)[nH+]cn1 ZINC000771975525 1133622965 /nfs/dbraw/zinc/62/29/65/1133622965.db2.gz NHTPOQMVRLPLDC-ZIAGYGMSSA-N 1 2 326.400 3.749 20 0 EHADLO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)OCCn1cc[nH+]c1 ZINC000772000586 1133626326 /nfs/dbraw/zinc/62/63/26/1133626326.db2.gz CTQMZMMDCMNBFK-UKTHLTGXSA-N 1 2 344.720 3.726 20 0 EHADLO O=C(CCCn1ccc2cc(Cl)ccc21)OCCn1cc[nH+]c1 ZINC000772028175 1133636297 /nfs/dbraw/zinc/63/62/97/1133636297.db2.gz DIKMFUYETRHASU-UHFFFAOYSA-N 1 2 331.803 3.515 20 0 EHADLO CCOCC[N@H+](C)CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000772374961 1133680104 /nfs/dbraw/zinc/68/01/04/1133680104.db2.gz PCJCNYQCAGCBTE-KRWDZBQOSA-N 1 2 342.483 3.865 20 0 EHADLO CCOCC[N@@H+](C)CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000772374961 1133680107 /nfs/dbraw/zinc/68/01/07/1133680107.db2.gz PCJCNYQCAGCBTE-KRWDZBQOSA-N 1 2 342.483 3.865 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489378 1133694778 /nfs/dbraw/zinc/69/47/78/1133694778.db2.gz LCXQTQRWNAAIOT-PBHICJAKSA-N 1 2 335.492 3.544 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489378 1133694780 /nfs/dbraw/zinc/69/47/80/1133694780.db2.gz LCXQTQRWNAAIOT-PBHICJAKSA-N 1 2 335.492 3.544 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccc(O)c(F)c2F)CC1 ZINC001182544678 1133699765 /nfs/dbraw/zinc/69/97/65/1133699765.db2.gz SVDPOQLZOFYPEX-UHFFFAOYSA-N 1 2 341.398 3.614 20 0 EHADLO CC[C@H](C)C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001182573719 1133701304 /nfs/dbraw/zinc/70/13/04/1133701304.db2.gz BWHUBVVTYNEGMB-MKBNYLNASA-N 1 2 329.843 3.978 20 0 EHADLO C[C@]1(Br)C[C@@H]1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182624685 1133706330 /nfs/dbraw/zinc/70/63/30/1133706330.db2.gz BNRWDYKSJOSKIM-PBHICJAKSA-N 1 2 346.268 3.517 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(Cc3cccc(F)c3)no2)Cc2ccccc21 ZINC000785632196 1133734742 /nfs/dbraw/zinc/73/47/42/1133734742.db2.gz PLXRNEAYYDXXFT-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)Cc2ccccc21 ZINC000785632196 1133734747 /nfs/dbraw/zinc/73/47/47/1133734747.db2.gz PLXRNEAYYDXXFT-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710084 1133746032 /nfs/dbraw/zinc/74/60/32/1133746032.db2.gz BUSDPVDSICQOLU-WOJBJXKFSA-N 1 2 341.451 3.872 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710084 1133746037 /nfs/dbraw/zinc/74/60/37/1133746037.db2.gz BUSDPVDSICQOLU-WOJBJXKFSA-N 1 2 341.451 3.872 20 0 EHADLO COCCSCCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000785808531 1133753670 /nfs/dbraw/zinc/75/36/70/1133753670.db2.gz HXLHULFXSCIHNY-UHFFFAOYSA-N 1 2 330.291 3.534 20 0 EHADLO COCCSCCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000785808531 1133753674 /nfs/dbraw/zinc/75/36/74/1133753674.db2.gz HXLHULFXSCIHNY-UHFFFAOYSA-N 1 2 330.291 3.534 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183032076 1133759553 /nfs/dbraw/zinc/75/95/53/1133759553.db2.gz ZEONVHQCDQKKSC-VLIAUNLRSA-N 1 2 349.409 3.919 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H](Nc1cc(NCC3CC3)[nH+]cn1)CCC2 ZINC000785843928 1133764131 /nfs/dbraw/zinc/76/41/31/1133764131.db2.gz KQBVOURCFZYIGC-HNNXBMFYSA-N 1 2 326.448 3.565 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H](Nc1cc(NCC3CC3)nc[nH+]1)CCC2 ZINC000785843928 1133764134 /nfs/dbraw/zinc/76/41/34/1133764134.db2.gz KQBVOURCFZYIGC-HNNXBMFYSA-N 1 2 326.448 3.565 20 0 EHADLO CC[C@@H](OC1CCCC1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000785932319 1133774061 /nfs/dbraw/zinc/77/40/61/1133774061.db2.gz PLSXZVVGRBIZDK-GOSISDBHSA-N 1 2 328.412 3.653 20 0 EHADLO Cc1cc(N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c[nH+]c1C ZINC001183526114 1133814927 /nfs/dbraw/zinc/81/49/27/1133814927.db2.gz KXYYQEMYTGJXQI-GOSISDBHSA-N 1 2 339.439 3.912 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC001183532923 1133824814 /nfs/dbraw/zinc/82/48/14/1133824814.db2.gz IFYYVFBCPFMPPE-DOMZBBRYSA-N 1 2 342.277 3.730 20 0 EHADLO Clc1ncc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)s1 ZINC000786555401 1133874574 /nfs/dbraw/zinc/87/45/74/1133874574.db2.gz QAQWKGOUZKMKSD-UHFFFAOYSA-N 1 2 342.815 3.538 20 0 EHADLO Cc1nc2ccccc2n1CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001184563832 1133958316 /nfs/dbraw/zinc/95/83/16/1133958316.db2.gz LQZZFQWSUOZELW-UHFFFAOYSA-N 1 2 335.455 3.824 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000787139181 1133959529 /nfs/dbraw/zinc/95/95/29/1133959529.db2.gz OPJFRAAFZGRNFY-LJQANCHMSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1nc(F)ccc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000787139181 1133959532 /nfs/dbraw/zinc/95/95/32/1133959532.db2.gz OPJFRAAFZGRNFY-LJQANCHMSA-N 1 2 342.393 3.623 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)cn1 ZINC000787270383 1133987201 /nfs/dbraw/zinc/98/72/01/1133987201.db2.gz JAHHHTFJOFYDBI-UHFFFAOYSA-N 1 2 345.752 3.789 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)cn1 ZINC000787270383 1133987203 /nfs/dbraw/zinc/98/72/03/1133987203.db2.gz JAHHHTFJOFYDBI-UHFFFAOYSA-N 1 2 345.752 3.789 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000787438548 1134003695 /nfs/dbraw/zinc/00/36/95/1134003695.db2.gz BJQWRECLJPCSFC-MRXNPFEDSA-N 1 2 331.412 3.748 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000787438548 1134003699 /nfs/dbraw/zinc/00/36/99/1134003699.db2.gz BJQWRECLJPCSFC-MRXNPFEDSA-N 1 2 331.412 3.748 20 0 EHADLO COCCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001184964714 1134008462 /nfs/dbraw/zinc/00/84/62/1134008462.db2.gz QARIPBMJKHSOQH-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1-n1cnc(C)c1 ZINC001184964194 1134008784 /nfs/dbraw/zinc/00/87/84/1134008784.db2.gz IKOMZQYMIMAJNT-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1C(F)(F)F ZINC000788136141 1134083598 /nfs/dbraw/zinc/08/35/98/1134083598.db2.gz QHDMZDBKVGANCA-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO Cc1ccoc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243535 1134099720 /nfs/dbraw/zinc/09/97/20/1134099720.db2.gz NFFZYGUOYPIKSF-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1ccoc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243535 1134099727 /nfs/dbraw/zinc/09/97/27/1134099727.db2.gz NFFZYGUOYPIKSF-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1ccc(C)c(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788333158 1134110731 /nfs/dbraw/zinc/11/07/31/1134110731.db2.gz PFZBMNDZYLPJPV-MRXNPFEDSA-N 1 2 327.453 3.549 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccnc(-c2cccc(Cl)c2)n1 ZINC001185756546 1134128601 /nfs/dbraw/zinc/12/86/01/1134128601.db2.gz OWOQCHHNEGNZMB-UHFFFAOYSA-N 1 2 327.819 3.520 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC001186131569 1134173304 /nfs/dbraw/zinc/17/33/04/1134173304.db2.gz MAAWHNAKEFBUMF-CZUORRHYSA-N 1 2 343.393 3.948 20 0 EHADLO C/C=C(\CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855484 1134188683 /nfs/dbraw/zinc/18/86/83/1134188683.db2.gz QGKNMUWPPKPPKP-JORANLSZSA-N 1 2 338.854 3.916 20 0 EHADLO C/C=C(\CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855484 1134188687 /nfs/dbraw/zinc/18/86/87/1134188687.db2.gz QGKNMUWPPKPPKP-JORANLSZSA-N 1 2 338.854 3.916 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1oc2ccccc2c1OC ZINC000788970905 1134198102 /nfs/dbraw/zinc/19/81/02/1134198102.db2.gz XOKQRYMUNSBHQF-UHFFFAOYSA-N 1 2 333.819 3.681 20 0 EHADLO C[C@H]1CC[C@@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170093233 1134199397 /nfs/dbraw/zinc/19/93/97/1134199397.db2.gz YTVCKJFBMPKXIM-ZNMIVQPWSA-N 1 2 341.492 3.597 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001186649327 1134242041 /nfs/dbraw/zinc/24/20/41/1134242041.db2.gz PBKSIDQJZJVXEH-UHFFFAOYSA-N 1 2 344.720 3.563 20 0 EHADLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170109729 1134292961 /nfs/dbraw/zinc/29/29/61/1134292961.db2.gz SAJPFQAHMPPQKT-KYJSFNMBSA-N 1 2 333.472 3.726 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001187142082 1134303444 /nfs/dbraw/zinc/30/34/44/1134303444.db2.gz RYMTYQVKKNWKRD-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1F)c1ccncc1 ZINC001187243592 1134313333 /nfs/dbraw/zinc/31/33/33/1134313333.db2.gz WYQVRXOMILYAIW-CYBMUJFWSA-N 1 2 348.385 3.565 20 0 EHADLO COc1cc(OC)c(NC(=O)Nc2ccc3[nH+]ccn3c2)cc1Cl ZINC001187363871 1134326742 /nfs/dbraw/zinc/32/67/42/1134326742.db2.gz PZPJKHMRPFFHTK-UHFFFAOYSA-N 1 2 346.774 3.649 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)OCCCc3[nH+]ccn3C)s2)o1 ZINC000789786345 1134334777 /nfs/dbraw/zinc/33/47/77/1134334777.db2.gz CZMLZGHHQTWQLK-UHFFFAOYSA-N 1 2 330.409 3.840 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3ccc(F)c(Cl)c3)c[nH+]c12 ZINC001187705394 1134371187 /nfs/dbraw/zinc/37/11/87/1134371187.db2.gz FYDCHGLRBRIZMO-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CCC1)Nc1ccc(F)c(Cl)c1 ZINC001187715194 1134372818 /nfs/dbraw/zinc/37/28/18/1134372818.db2.gz IYKKOXKUBRMOMF-UHFFFAOYSA-N 1 2 336.798 3.797 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1C ZINC001188072812 1134424244 /nfs/dbraw/zinc/42/42/44/1134424244.db2.gz WARPZZJGYHIBHL-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000790504787 1134428244 /nfs/dbraw/zinc/42/82/44/1134428244.db2.gz OMIXFBZCNPPNGT-HNAWSFBYSA-N 1 2 332.488 3.916 20 0 EHADLO Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c[nH]1 ZINC001188201127 1134439549 /nfs/dbraw/zinc/43/95/49/1134439549.db2.gz BYGPFCVIUDDBMR-HNNXBMFYSA-N 1 2 340.254 3.663 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]c3c(C)cccn23)cc1Cl ZINC001188480899 1134467564 /nfs/dbraw/zinc/46/75/64/1134467564.db2.gz DPSGBSRIYUFMQJ-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO c1ccc(-c2nnc(C[NH2+]Cc3ccc(OCC4CC4)cc3)[nH]2)cc1 ZINC000790961441 1134485383 /nfs/dbraw/zinc/48/53/83/1134485383.db2.gz DMEDLFZKSFWYAG-UHFFFAOYSA-N 1 2 334.423 3.550 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)Oc1ccccc1 ZINC000791258378 1134522793 /nfs/dbraw/zinc/52/27/93/1134522793.db2.gz HFDJLRBADANGCN-MRXNPFEDSA-N 1 2 336.391 3.691 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000791380255 1134537055 /nfs/dbraw/zinc/53/70/55/1134537055.db2.gz JMRJRSOYNCZNPW-DNVCBOLYSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1ncc(/C=C/C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791380177 1134537452 /nfs/dbraw/zinc/53/74/52/1134537452.db2.gz INJZPXOWZWWHNF-AATRIKPKSA-N 1 2 339.420 3.702 20 0 EHADLO COC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCCCC1 ZINC000791448649 1134552653 /nfs/dbraw/zinc/55/26/53/1134552653.db2.gz WWOSOARKXXDRQA-UHFFFAOYSA-N 1 2 328.412 3.573 20 0 EHADLO Nc1cc(COC(=O)COc2ccc3oc4ccccc4c3c2)cc[nH+]1 ZINC000791472832 1134561101 /nfs/dbraw/zinc/56/11/01/1134561101.db2.gz JBFLLIKXGTYUKU-UHFFFAOYSA-N 1 2 348.358 3.685 20 0 EHADLO COc1ccc2cc([C@H](C)C(=O)OCc3cc[nH+]c(N)c3)ccc2c1 ZINC000791611731 1134575900 /nfs/dbraw/zinc/57/59/00/1134575900.db2.gz IDFRTRYFCXIDLD-ZDUSSCGKSA-N 1 2 336.391 3.673 20 0 EHADLO C/C(=C/C(=O)OCc1cc[nH+]c(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000791796625 1134606032 /nfs/dbraw/zinc/60/60/32/1134606032.db2.gz WYGCLSXMKYSKCM-FLIBITNWSA-N 1 2 336.313 3.829 20 0 EHADLO C[C@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccccc1C(F)(F)F ZINC000791955728 1134638299 /nfs/dbraw/zinc/63/82/99/1134638299.db2.gz SAEYHHAVAUJMHI-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO C[C@H](Cc1ccccc1)n1cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792088490 1134653316 /nfs/dbraw/zinc/65/33/16/1134653316.db2.gz HCQBWHYQINQRJQ-OAHLLOKOSA-N 1 2 335.407 3.626 20 0 EHADLO O=C(N[C@H]1CCc2c1c(F)ccc2F)c1ccccc1-n1cc[nH+]c1 ZINC001190112148 1134661136 /nfs/dbraw/zinc/66/11/36/1134661136.db2.gz DOGYWOKKYOUGMY-INIZCTEOSA-N 1 2 339.345 3.568 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492809 1134661266 /nfs/dbraw/zinc/66/12/66/1134661266.db2.gz OQZDQLKCXDVSAL-RISCZKNCSA-N 1 2 329.412 3.775 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492809 1134661269 /nfs/dbraw/zinc/66/12/69/1134661269.db2.gz OQZDQLKCXDVSAL-RISCZKNCSA-N 1 2 329.412 3.775 20 0 EHADLO CCn1c(C[NH2+]Cc2ccoc2)nc2cc(Br)ccc21 ZINC000792200395 1134667626 /nfs/dbraw/zinc/66/76/26/1134667626.db2.gz IGYULBJXKGFJDT-UHFFFAOYSA-N 1 2 334.217 3.702 20 0 EHADLO COc1ccccc1Cc1cn(C[C@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC001190284167 1134680040 /nfs/dbraw/zinc/68/00/40/1134680040.db2.gz UTJIQFNVSFSPKL-GOSISDBHSA-N 1 2 326.440 3.974 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(C)ns1)C[C@H]1CCCO1 ZINC001190324035 1134682764 /nfs/dbraw/zinc/68/27/64/1134682764.db2.gz CTMIWQXDWDWSHJ-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(C)ns1)C[C@H]1CCCO1 ZINC001190324035 1134682768 /nfs/dbraw/zinc/68/27/68/1134682768.db2.gz CTMIWQXDWDWSHJ-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001170219744 1134709286 /nfs/dbraw/zinc/70/92/86/1134709286.db2.gz YTSFITRAFONDSG-GFCCVEGCSA-N 1 2 328.815 3.580 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001170219744 1134709292 /nfs/dbraw/zinc/70/92/92/1134709292.db2.gz YTSFITRAFONDSG-GFCCVEGCSA-N 1 2 328.815 3.580 20 0 EHADLO Nc1[nH+]ccc2c1CN(C(=O)C1(c3ccccc3)CCCCCC1)CC2 ZINC001170268104 1134728282 /nfs/dbraw/zinc/72/82/82/1134728282.db2.gz HWFAYHJZPLFIFV-UHFFFAOYSA-N 1 2 349.478 3.841 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170248188 1134731323 /nfs/dbraw/zinc/73/13/23/1134731323.db2.gz NEXNDOQQUWLAOR-KDOFPFPSSA-N 1 2 331.843 3.645 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1Br ZINC000157565251 1134753640 /nfs/dbraw/zinc/75/36/40/1134753640.db2.gz UQHGVFBKPPVONA-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1Br ZINC000157565251 1134753646 /nfs/dbraw/zinc/75/36/46/1134753646.db2.gz UQHGVFBKPPVONA-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2ccc(F)cc2)no1)c1ccccc1 ZINC001190838259 1134757124 /nfs/dbraw/zinc/75/71/24/1134757124.db2.gz NSIBEZXKDDXCRA-UHFFFAOYSA-N 1 2 325.387 3.824 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000792778498 1134792599 /nfs/dbraw/zinc/79/25/99/1134792599.db2.gz ULLSGSJSTCABMO-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000792778498 1134792606 /nfs/dbraw/zinc/79/26/06/1134792606.db2.gz ULLSGSJSTCABMO-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)o1 ZINC000792887113 1134813621 /nfs/dbraw/zinc/81/36/21/1134813621.db2.gz YZYSHIIVEPWDDC-UHFFFAOYSA-N 1 2 335.398 3.789 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)o1 ZINC000792887113 1134813628 /nfs/dbraw/zinc/81/36/28/1134813628.db2.gz YZYSHIIVEPWDDC-UHFFFAOYSA-N 1 2 335.398 3.789 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc(C)cc1C ZINC000793135009 1134859828 /nfs/dbraw/zinc/85/98/28/1134859828.db2.gz ZYNURFHCZRQUJD-UHFFFAOYSA-N 1 2 343.377 3.903 20 0 EHADLO OCCC[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000775462157 1134870025 /nfs/dbraw/zinc/87/00/25/1134870025.db2.gz VPJCYPFDAGKGKR-LBPRGKRZSA-N 1 2 345.311 3.986 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCc1c(F)cccc1F ZINC001191519750 1134878109 /nfs/dbraw/zinc/87/81/09/1134878109.db2.gz CFIDTWRHVJJTLJ-INIZCTEOSA-N 1 2 325.399 3.704 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCc1c(F)cccc1F ZINC001191519750 1134878112 /nfs/dbraw/zinc/87/81/12/1134878112.db2.gz CFIDTWRHVJJTLJ-INIZCTEOSA-N 1 2 325.399 3.704 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001191539272 1134881141 /nfs/dbraw/zinc/88/11/41/1134881141.db2.gz FLQIYOBXQPKHAQ-IBGZPJMESA-N 1 2 341.455 3.650 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001191539272 1134881146 /nfs/dbraw/zinc/88/11/46/1134881146.db2.gz FLQIYOBXQPKHAQ-IBGZPJMESA-N 1 2 341.455 3.650 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000793251166 1134889435 /nfs/dbraw/zinc/88/94/35/1134889435.db2.gz REOMHLKLTKEUIJ-UHFFFAOYSA-N 1 2 341.798 3.535 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000793254631 1134890855 /nfs/dbraw/zinc/89/08/55/1134890855.db2.gz LWWHQJAWRZTDDA-FQEVSTJZSA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000793254631 1134890862 /nfs/dbraw/zinc/89/08/62/1134890862.db2.gz LWWHQJAWRZTDDA-FQEVSTJZSA-N 1 2 349.434 3.661 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCCc1nc2ccccc2s1 ZINC000793256229 1134891901 /nfs/dbraw/zinc/89/19/01/1134891901.db2.gz QOSHDPGKENYNMB-UHFFFAOYSA-N 1 2 343.452 3.529 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(Cl)c1SC(F)F ZINC000793338828 1134907568 /nfs/dbraw/zinc/90/75/68/1134907568.db2.gz XWAIIDAFCKYTIC-UHFFFAOYSA-N 1 2 331.775 3.949 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(Cl)c1SC(F)F ZINC000793338828 1134907573 /nfs/dbraw/zinc/90/75/73/1134907573.db2.gz XWAIIDAFCKYTIC-UHFFFAOYSA-N 1 2 331.775 3.949 20 0 EHADLO Cc1ccc(COc2cccc(NC(=O)CCc3c[nH+]cn3C)c2)cc1 ZINC000793480721 1134939256 /nfs/dbraw/zinc/93/92/56/1134939256.db2.gz XKJAJGVXSQBGSJ-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000793545101 1134953086 /nfs/dbraw/zinc/95/30/86/1134953086.db2.gz RVKDQILIUVSEDL-IWMITWMQSA-N 1 2 340.467 3.728 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)nc1 ZINC000793565787 1134958361 /nfs/dbraw/zinc/95/83/61/1134958361.db2.gz IKXCQMXNTOWQEC-CQSZACIVSA-N 1 2 326.831 3.831 20 0 EHADLO CC[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@H]1CCCO1 ZINC000793583236 1134962261 /nfs/dbraw/zinc/96/22/61/1134962261.db2.gz CBEDQZNMMJCWJY-QGZVFWFLSA-N 1 2 333.863 3.586 20 0 EHADLO CC[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@H]1CCCO1 ZINC000793583236 1134962267 /nfs/dbraw/zinc/96/22/67/1134962267.db2.gz CBEDQZNMMJCWJY-QGZVFWFLSA-N 1 2 333.863 3.586 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001192213167 1134981360 /nfs/dbraw/zinc/98/13/60/1134981360.db2.gz CDODMTSUDIDOTK-GXTWGEPZSA-N 1 2 331.362 3.724 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC001192213167 1134981367 /nfs/dbraw/zinc/98/13/67/1134981367.db2.gz CDODMTSUDIDOTK-GXTWGEPZSA-N 1 2 331.362 3.724 20 0 EHADLO CC(C)c1ccccc1NC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001192225924 1134988020 /nfs/dbraw/zinc/98/80/20/1134988020.db2.gz MPIMIMGDAMJNTQ-UHFFFAOYSA-N 1 2 340.427 3.686 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(F)(F)Cc1ccccc1 ZINC000793967203 1135008478 /nfs/dbraw/zinc/00/84/78/1135008478.db2.gz PEJDETKOFLMIDR-UHFFFAOYSA-N 1 2 349.425 3.562 20 0 EHADLO Cc1nc(CCC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cs1 ZINC000794207429 1135029451 /nfs/dbraw/zinc/02/94/51/1135029451.db2.gz PRTOWXHUGJQLMR-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO CSc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001192644276 1135042696 /nfs/dbraw/zinc/04/26/96/1135042696.db2.gz QASHZRXFSXEDDS-UHFFFAOYSA-N 1 2 329.450 3.967 20 0 EHADLO Cc1cccc2c1[C@H](OC(=O)c1cccc(Cn3cc[nH+]c3)c1)CCO2 ZINC001129421101 1135054406 /nfs/dbraw/zinc/05/44/06/1135054406.db2.gz RTNPKXUNGHSBLG-LJQANCHMSA-N 1 2 348.402 3.920 20 0 EHADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000775569623 1135097230 /nfs/dbraw/zinc/09/72/30/1135097230.db2.gz OBZYRRDFPURMKY-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000775569623 1135097234 /nfs/dbraw/zinc/09/72/34/1135097234.db2.gz OBZYRRDFPURMKY-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]([NH2+]CCc1c(F)cccc1F)c1noc(Cc2ccccc2)n1 ZINC001193154604 1135110180 /nfs/dbraw/zinc/11/01/80/1135110180.db2.gz MXOUFFXLBVHPQO-ZDUSSCGKSA-N 1 2 343.377 3.832 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1cccc(F)c1 ZINC000775583784 1135119334 /nfs/dbraw/zinc/11/93/34/1135119334.db2.gz XAWGZRGDAWZRMX-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1cccc(F)c1 ZINC000775583784 1135119338 /nfs/dbraw/zinc/11/93/38/1135119338.db2.gz XAWGZRGDAWZRMX-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCc2cc(Cl)ccc2C1)C(F)(F)C(F)(F)F ZINC001193345697 1135127699 /nfs/dbraw/zinc/12/76/99/1135127699.db2.gz DUIBANMFXKGXGE-GFCCVEGCSA-N 1 2 343.723 3.647 20 0 EHADLO C[C@@](O)(C[N@H+]1CCc2cc(Cl)ccc2C1)C(F)(F)C(F)(F)F ZINC001193345697 1135127702 /nfs/dbraw/zinc/12/77/02/1135127702.db2.gz DUIBANMFXKGXGE-GFCCVEGCSA-N 1 2 343.723 3.647 20 0 EHADLO CCC[N@H+](Cc1cccc(F)c1OC(F)F)[C@@H](CC)C(=O)OCC ZINC001193365103 1135131163 /nfs/dbraw/zinc/13/11/63/1135131163.db2.gz PZXCPNOQOCHAIT-AWEZNQCLSA-N 1 2 347.377 3.981 20 0 EHADLO CCC[N@@H+](Cc1cccc(F)c1OC(F)F)[C@@H](CC)C(=O)OCC ZINC001193365103 1135131167 /nfs/dbraw/zinc/13/11/67/1135131167.db2.gz PZXCPNOQOCHAIT-AWEZNQCLSA-N 1 2 347.377 3.981 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3occc3s2)CC[N@@H+]1Cc1ccccc1 ZINC001129702119 1135139395 /nfs/dbraw/zinc/13/93/95/1135139395.db2.gz MHQSGMYZICYYNK-CQSZACIVSA-N 1 2 340.448 3.841 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3occc3s2)CC[N@H+]1Cc1ccccc1 ZINC001129702119 1135139397 /nfs/dbraw/zinc/13/93/97/1135139397.db2.gz MHQSGMYZICYYNK-CQSZACIVSA-N 1 2 340.448 3.841 20 0 EHADLO COc1cccc(-c2cc(C(=O)Nc3ccn4cc[nH+]c4c3)c[nH]2)c1 ZINC001193847722 1135195236 /nfs/dbraw/zinc/19/52/36/1135195236.db2.gz KXVCHACFBBPUQL-UHFFFAOYSA-N 1 2 332.363 3.590 20 0 EHADLO CCCC[C@H](CC)COC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193983537 1135210297 /nfs/dbraw/zinc/21/02/97/1135210297.db2.gz ISONLRJQIDHDEF-IRXDYDNUSA-N 1 2 333.476 3.993 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)Oc1ccc(Cl)cc1 ZINC001194056044 1135223452 /nfs/dbraw/zinc/22/34/52/1135223452.db2.gz RDVTULASDSPYKE-UHFFFAOYSA-N 1 2 346.814 3.783 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Oc1ccccc1 ZINC001194214954 1135245309 /nfs/dbraw/zinc/24/53/09/1135245309.db2.gz OTKQNEJMXUZYIX-OAHLLOKOSA-N 1 2 328.387 3.531 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Oc1ccccc1 ZINC001194214954 1135245314 /nfs/dbraw/zinc/24/53/14/1135245314.db2.gz OTKQNEJMXUZYIX-OAHLLOKOSA-N 1 2 328.387 3.531 20 0 EHADLO Cc1[nH]c(CN2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH+]c1C ZINC001194691734 1135306196 /nfs/dbraw/zinc/30/61/96/1135306196.db2.gz KQDMATLYZSSROJ-UHFFFAOYSA-N 1 2 332.879 3.781 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH]c1C ZINC001194691734 1135306204 /nfs/dbraw/zinc/30/62/04/1135306204.db2.gz KQDMATLYZSSROJ-UHFFFAOYSA-N 1 2 332.879 3.781 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH]c1C ZINC001194691734 1135306210 /nfs/dbraw/zinc/30/62/10/1135306210.db2.gz KQDMATLYZSSROJ-UHFFFAOYSA-N 1 2 332.879 3.781 20 0 EHADLO CC[C@H](C)COC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001194836267 1135328491 /nfs/dbraw/zinc/32/84/91/1135328491.db2.gz ZIKGNXPMPCKQQX-ZDUSSCGKSA-N 1 2 335.835 3.857 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3cc(C)ccc3C)CC2)cs1 ZINC000805847235 1135344508 /nfs/dbraw/zinc/34/45/08/1135344508.db2.gz NTCJOBOJJSJLCZ-UHFFFAOYSA-N 1 2 344.480 3.886 20 0 EHADLO CC[C@H](C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001195149796 1135381437 /nfs/dbraw/zinc/38/14/37/1135381437.db2.gz BLVPHDGCMKCOAO-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cnccc1OC(C)C)c1ccccc1 ZINC000806102596 1135386378 /nfs/dbraw/zinc/38/63/78/1135386378.db2.gz ANYXFINFDUUZCX-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cnccc1OC(C)C)c1ccccc1 ZINC000806102596 1135386384 /nfs/dbraw/zinc/38/63/84/1135386384.db2.gz ANYXFINFDUUZCX-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO COc1cc(C[N@@H+]2CCN(c3cccc(Cl)c3)C[C@H]2C)sn1 ZINC001170500574 1135399285 /nfs/dbraw/zinc/39/92/85/1135399285.db2.gz JGZOBBNHGGFMLO-GFCCVEGCSA-N 1 2 337.876 3.516 20 0 EHADLO COc1cc(C[N@H+]2CCN(c3cccc(Cl)c3)C[C@H]2C)sn1 ZINC001170500574 1135399290 /nfs/dbraw/zinc/39/92/90/1135399290.db2.gz JGZOBBNHGGFMLO-GFCCVEGCSA-N 1 2 337.876 3.516 20 0 EHADLO COc1ccccc1OC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001195259557 1135400881 /nfs/dbraw/zinc/40/08/81/1135400881.db2.gz YSJNGOROLFBENS-UHFFFAOYSA-N 1 2 337.379 3.512 20 0 EHADLO Cc1cc[nH]c1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001195505685 1135435663 /nfs/dbraw/zinc/43/56/63/1135435663.db2.gz LLURBOUZIHXCRR-CQSZACIVSA-N 1 2 340.254 3.663 20 0 EHADLO Cc1ccc(C2(O)CC[NH+](Cc3ccc(F)c(F)c3F)CC2)cc1 ZINC001137934698 1135446281 /nfs/dbraw/zinc/44/62/81/1135446281.db2.gz JKVQNWLCKGDRKP-UHFFFAOYSA-N 1 2 335.369 3.896 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)Cc2ccccc2)CCCCCC1 ZINC001195768051 1135462999 /nfs/dbraw/zinc/46/29/99/1135462999.db2.gz PMBXVWHVBRQWQO-GOSISDBHSA-N 1 2 347.499 3.614 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccn(-c3cccc(F)c3)n2)CC2(CCCC2)O1 ZINC001195795731 1135470738 /nfs/dbraw/zinc/47/07/38/1135470738.db2.gz AQWGAYGPWSMBNE-OAHLLOKOSA-N 1 2 329.419 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)CC2(CCCC2)O1 ZINC001195795731 1135470744 /nfs/dbraw/zinc/47/07/44/1135470744.db2.gz AQWGAYGPWSMBNE-OAHLLOKOSA-N 1 2 329.419 3.545 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)n1 ZINC000806719521 1135484053 /nfs/dbraw/zinc/48/40/53/1135484053.db2.gz LHESPSUZWPXBGY-UHFFFAOYSA-N 1 2 326.787 3.615 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000806760425 1135486594 /nfs/dbraw/zinc/48/65/94/1135486594.db2.gz IBCRKLPBMJDNHJ-IBGZPJMESA-N 1 2 349.434 3.647 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(C3CCC3)CC2)CCN1c1c(F)cccc1F ZINC001195946432 1135497931 /nfs/dbraw/zinc/49/79/31/1135497931.db2.gz JZHFVDSCKXNFCE-KRWDZBQOSA-N 1 2 334.410 3.582 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CC[C@H](SC)C1)Cc1ccccc1Cl ZINC000806944618 1135508112 /nfs/dbraw/zinc/50/81/12/1135508112.db2.gz IIPAARBFRYMRHL-GJZGRUSLSA-N 1 2 340.920 3.562 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CC[C@H](SC)C1)Cc1ccccc1Cl ZINC000806944618 1135508116 /nfs/dbraw/zinc/50/81/16/1135508116.db2.gz IIPAARBFRYMRHL-GJZGRUSLSA-N 1 2 340.920 3.562 20 0 EHADLO COc1ccc2nc(C[N@@H+](Cc3ccccc3F)CC3CC3)[nH]c2n1 ZINC001196236305 1135538913 /nfs/dbraw/zinc/53/89/13/1135538913.db2.gz BBRCDAOSRYBFBD-UHFFFAOYSA-N 1 2 340.402 3.518 20 0 EHADLO COc1ccc2nc(C[N@H+](Cc3ccccc3F)CC3CC3)[nH]c2n1 ZINC001196236305 1135538919 /nfs/dbraw/zinc/53/89/19/1135538919.db2.gz BBRCDAOSRYBFBD-UHFFFAOYSA-N 1 2 340.402 3.518 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@@H]3CC34CCC4)n2)C1 ZINC000867180653 1135576576 /nfs/dbraw/zinc/57/65/76/1135576576.db2.gz HWKRWIDZFOUMJP-DLBZAZTESA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@@H]3CC34CCC4)n2)C1 ZINC000867180653 1135576580 /nfs/dbraw/zinc/57/65/80/1135576580.db2.gz HWKRWIDZFOUMJP-DLBZAZTESA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H]3C[C@H]3C(C)C)n2)C1 ZINC000867181667 1135578529 /nfs/dbraw/zinc/57/85/29/1135578529.db2.gz NEZSKBVUYQTGBR-KSZLIROESA-N 1 2 341.455 3.711 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H]3C[C@H]3C(C)C)n2)C1 ZINC000867181667 1135578539 /nfs/dbraw/zinc/57/85/39/1135578539.db2.gz NEZSKBVUYQTGBR-KSZLIROESA-N 1 2 341.455 3.711 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cncc(-c2ccc(Cl)cc2)n1 ZINC001196606631 1135584061 /nfs/dbraw/zinc/58/40/61/1135584061.db2.gz UVWLWOHBQGUVAB-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccc1C ZINC001196736032 1135605998 /nfs/dbraw/zinc/60/59/98/1135605998.db2.gz JOEUAUUOKPCFLN-HXUWFJFHSA-N 1 2 325.452 3.692 20 0 EHADLO O=C(c1ccc(-c2cccs2)nc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001196783455 1135609149 /nfs/dbraw/zinc/60/91/49/1135609149.db2.gz JSDYATPKMMYCJE-AWEZNQCLSA-N 1 2 338.436 3.553 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@@](C)(CC)CC1=O)CCC2 ZINC000808170041 1135629696 /nfs/dbraw/zinc/62/96/96/1135629696.db2.gz AOYLWSSDIUHYCS-KSSFIOAISA-N 1 2 335.517 3.621 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@@](C)(CC)CC1=O)CCC2 ZINC000808170041 1135629697 /nfs/dbraw/zinc/62/96/97/1135629697.db2.gz AOYLWSSDIUHYCS-KSSFIOAISA-N 1 2 335.517 3.621 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3=CCCCC3)n2)C1 ZINC001196994315 1135638546 /nfs/dbraw/zinc/63/85/46/1135638546.db2.gz DABFCTLLQLLBHU-CQSZACIVSA-N 1 2 348.516 3.997 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3=CCCCC3)n2)C1 ZINC001196994315 1135638550 /nfs/dbraw/zinc/63/85/50/1135638550.db2.gz DABFCTLLQLLBHU-CQSZACIVSA-N 1 2 348.516 3.997 20 0 EHADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001197075921 1135647452 /nfs/dbraw/zinc/64/74/52/1135647452.db2.gz AIVMLYRIJUBPPO-SFHVURJKSA-N 1 2 325.399 3.561 20 0 EHADLO CC(C)COC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001197075921 1135647455 /nfs/dbraw/zinc/64/74/55/1135647455.db2.gz AIVMLYRIJUBPPO-SFHVURJKSA-N 1 2 325.399 3.561 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(C)c1OC(C)C ZINC001197227830 1135661949 /nfs/dbraw/zinc/66/19/49/1135661949.db2.gz AILHBLDNLIGSBC-UHFFFAOYSA-N 1 2 341.455 3.834 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(C)c1OC(C)C ZINC001197227830 1135661951 /nfs/dbraw/zinc/66/19/51/1135661951.db2.gz AILHBLDNLIGSBC-UHFFFAOYSA-N 1 2 341.455 3.834 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c(C)c1OC ZINC000808405011 1135664063 /nfs/dbraw/zinc/66/40/63/1135664063.db2.gz UZSLHLFHZMPFOS-AWEZNQCLSA-N 1 2 335.350 3.514 20 0 EHADLO COc1nnc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)s1 ZINC001197482914 1135694526 /nfs/dbraw/zinc/69/45/26/1135694526.db2.gz OKMMXDFSGFVHNN-ZDUSSCGKSA-N 1 2 337.876 3.968 20 0 EHADLO COc1nnc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)s1 ZINC001197482914 1135694530 /nfs/dbraw/zinc/69/45/30/1135694530.db2.gz OKMMXDFSGFVHNN-ZDUSSCGKSA-N 1 2 337.876 3.968 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000747524799 1135720709 /nfs/dbraw/zinc/72/07/09/1135720709.db2.gz RHWMOCCCOOTDGT-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000747524799 1135720717 /nfs/dbraw/zinc/72/07/17/1135720717.db2.gz RHWMOCCCOOTDGT-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3cccc4c3OC(F)(F)O4)CC2)[nH]c1C ZINC001197844923 1135741317 /nfs/dbraw/zinc/74/13/17/1135741317.db2.gz PZLOKMWXLNPWEB-UHFFFAOYSA-N 1 2 349.381 3.728 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3cccc4c3OC(F)(F)O4)CC2)[nH+]c1C ZINC001197844923 1135741320 /nfs/dbraw/zinc/74/13/20/1135741320.db2.gz PZLOKMWXLNPWEB-UHFFFAOYSA-N 1 2 349.381 3.728 20 0 EHADLO Fc1cccc(-c2nnc(C[NH2+][C@H]3CCc4c3cccc4F)o2)c1 ZINC001197864755 1135749437 /nfs/dbraw/zinc/74/94/37/1135749437.db2.gz PKASKXXBJVIWAR-INIZCTEOSA-N 1 2 327.334 3.792 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3nc4cc(F)c(Cl)cc4[nH]3)ccn12 ZINC001131521498 1135763416 /nfs/dbraw/zinc/76/34/16/1135763416.db2.gz WJNDTKKTZGTZJP-UHFFFAOYSA-N 1 2 343.749 3.564 20 0 EHADLO CCc1cc(NC(=S)Nc2ccccc2OC(F)(F)F)cc[nH+]1 ZINC001198141564 1135775683 /nfs/dbraw/zinc/77/56/83/1135775683.db2.gz DMXUMEZOBBRECJ-UHFFFAOYSA-N 1 2 341.358 3.773 20 0 EHADLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC001198373352 1135806651 /nfs/dbraw/zinc/80/66/51/1135806651.db2.gz RFNWZKNJGKJQMC-CYBMUJFWSA-N 1 2 336.501 3.543 20 0 EHADLO CSCC[C@H](C)[N@H+](C)Cc1nc2ccccn2c1Br ZINC000809581523 1135853945 /nfs/dbraw/zinc/85/39/45/1135853945.db2.gz ZDKIGSDPUKKTGP-NSHDSACASA-N 1 2 342.306 3.670 20 0 EHADLO CSCC[C@H](C)[N@@H+](C)Cc1nc2ccccn2c1Br ZINC000809581523 1135853949 /nfs/dbraw/zinc/85/39/49/1135853949.db2.gz ZDKIGSDPUKKTGP-NSHDSACASA-N 1 2 342.306 3.670 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1F ZINC001137957434 1135866169 /nfs/dbraw/zinc/86/61/69/1135866169.db2.gz BOWHEUMNLPLNPC-DGCLKSJQSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1F ZINC001137957434 1135866170 /nfs/dbraw/zinc/86/61/70/1135866170.db2.gz BOWHEUMNLPLNPC-DGCLKSJQSA-N 1 2 343.723 3.706 20 0 EHADLO OCC[N@H+](C/C=C\c1ccc(F)c(F)c1)Cc1cccnc1Cl ZINC000809658307 1135866326 /nfs/dbraw/zinc/86/63/26/1135866326.db2.gz KTYUEBDUKBYYQI-IHWYPQMZSA-N 1 2 338.785 3.521 20 0 EHADLO OCC[N@@H+](C/C=C\c1ccc(F)c(F)c1)Cc1cccnc1Cl ZINC000809658307 1135866330 /nfs/dbraw/zinc/86/63/30/1135866330.db2.gz KTYUEBDUKBYYQI-IHWYPQMZSA-N 1 2 338.785 3.521 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1oc(C)nc1C ZINC000809974390 1135907240 /nfs/dbraw/zinc/90/72/40/1135907240.db2.gz VSWDKIQOONTZAU-HNNXBMFYSA-N 1 2 337.464 3.513 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1oc(C)nc1C ZINC000809974390 1135907243 /nfs/dbraw/zinc/90/72/43/1135907243.db2.gz VSWDKIQOONTZAU-HNNXBMFYSA-N 1 2 337.464 3.513 20 0 EHADLO CCOc1ccc(Cl)cc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC001199530200 1135910996 /nfs/dbraw/zinc/91/09/96/1135910996.db2.gz AQRPKNQXSRRSJD-UHFFFAOYSA-N 1 2 347.846 3.582 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC001199702233 1135925255 /nfs/dbraw/zinc/92/52/55/1135925255.db2.gz SDSLCALTHMSPJM-LBPRGKRZSA-N 1 2 332.835 3.601 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1 ZINC000810225958 1135940414 /nfs/dbraw/zinc/94/04/14/1135940414.db2.gz RHWWZIWSGXTGBU-INIZCTEOSA-N 1 2 347.821 3.843 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810262563 1135944950 /nfs/dbraw/zinc/94/49/50/1135944950.db2.gz SPQCRBYQHYOWMA-RDTXWAMCSA-N 1 2 338.455 3.655 20 0 EHADLO Cc1cn2c(cccc2NC(=S)Nc2ccc(-n3cccn3)cc2)[nH+]1 ZINC001200871969 1135962279 /nfs/dbraw/zinc/96/22/79/1135962279.db2.gz YEDFSPFDCRBSLH-UHFFFAOYSA-N 1 2 348.435 3.637 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC1(Cc2ccccc2)CC1 ZINC000810693395 1135997549 /nfs/dbraw/zinc/99/75/49/1135997549.db2.gz XDTAHVBLEWAFNR-UHFFFAOYSA-N 1 2 346.430 3.792 20 0 EHADLO COC(=O)c1ccccc1Oc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201287074 1136001285 /nfs/dbraw/zinc/00/12/85/1136001285.db2.gz RRGHXBBAMLPSOS-UHFFFAOYSA-N 1 2 335.363 3.986 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Cl)ncc1Nc1ccc(N)[nH+]c1 ZINC001201279462 1136003476 /nfs/dbraw/zinc/00/34/76/1136003476.db2.gz PUANFDDOWLFMHY-UHFFFAOYSA-N 1 2 335.795 3.803 20 0 EHADLO CNC(=O)c1cccc(Oc2ccc(Nc3ccc(N)[nH+]c3)cc2)c1 ZINC001201295815 1136003831 /nfs/dbraw/zinc/00/38/31/1136003831.db2.gz SGQYMZWVNDNSLS-UHFFFAOYSA-N 1 2 334.379 3.559 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC001201415228 1136017436 /nfs/dbraw/zinc/01/74/36/1136017436.db2.gz BASLBQWUPILQND-IBGZPJMESA-N 1 2 338.842 3.967 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCCCCF ZINC000810909892 1136020176 /nfs/dbraw/zinc/02/01/76/1136020176.db2.gz SBHXXNOQWGFYLB-UHFFFAOYSA-N 1 2 328.334 3.696 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccc(Cl)s2)c1C ZINC000747672473 1136044180 /nfs/dbraw/zinc/04/41/80/1136044180.db2.gz ZHIOSCUVZSMKCN-ALCCZGGFSA-N 1 2 336.844 3.752 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)C[C@H]2CC2(Cl)Cl)cc1 ZINC000747681193 1136053535 /nfs/dbraw/zinc/05/35/35/1136053535.db2.gz IZIXHAUWOLPYIO-SWLSCSKDSA-N 1 2 343.298 3.681 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)C[C@H]2CC2(Cl)Cl)cc1 ZINC000747681193 1136053536 /nfs/dbraw/zinc/05/35/36/1136053536.db2.gz IZIXHAUWOLPYIO-SWLSCSKDSA-N 1 2 343.298 3.681 20 0 EHADLO CC(C)c1scnc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000811264600 1136070496 /nfs/dbraw/zinc/07/04/96/1136070496.db2.gz BQPLNNDUVKDWBU-UHFFFAOYSA-N 1 2 327.409 3.809 20 0 EHADLO Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000811326468 1136074647 /nfs/dbraw/zinc/07/46/47/1136074647.db2.gz OQNVQHBQIMKGOH-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO C/C(=C/C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(F)cc1 ZINC001132815755 1136087771 /nfs/dbraw/zinc/08/77/71/1136087771.db2.gz SOPIKJBUPXXYTL-JDQHYLEWSA-N 1 2 349.409 3.983 20 0 EHADLO CC(C)Cc1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528045 1136099264 /nfs/dbraw/zinc/09/92/64/1136099264.db2.gz AQFWNTPVMISMOD-GJZGRUSLSA-N 1 2 348.384 3.504 20 0 EHADLO CC(C)Cc1ccc([C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528045 1136099267 /nfs/dbraw/zinc/09/92/67/1136099267.db2.gz AQFWNTPVMISMOD-GJZGRUSLSA-N 1 2 348.384 3.504 20 0 EHADLO OC1(c2ccc(F)cc2)C[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000811503659 1136101329 /nfs/dbraw/zinc/10/13/29/1136101329.db2.gz XIHCJGNUUPAXIM-UHFFFAOYSA-N 1 2 340.442 3.519 20 0 EHADLO Brc1c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)nc2ccccn12 ZINC000811513257 1136102926 /nfs/dbraw/zinc/10/29/26/1136102926.db2.gz FLUMFFAOKNJWBZ-HNNXBMFYSA-N 1 2 346.272 3.861 20 0 EHADLO Brc1c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)nc2ccccn12 ZINC000811513257 1136102928 /nfs/dbraw/zinc/10/29/28/1136102928.db2.gz FLUMFFAOKNJWBZ-HNNXBMFYSA-N 1 2 346.272 3.861 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC001202234921 1136117873 /nfs/dbraw/zinc/11/78/73/1136117873.db2.gz QPUVRLMWFPHYON-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(Nc1cccc(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202247551 1136119960 /nfs/dbraw/zinc/11/99/60/1136119960.db2.gz LNWXFYIHKRVHQT-AWEZNQCLSA-N 1 2 343.805 3.677 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765434 1136137287 /nfs/dbraw/zinc/13/72/87/1136137287.db2.gz JZJGEQYBAUDXKU-QAPCUYQASA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765434 1136137289 /nfs/dbraw/zinc/13/72/89/1136137289.db2.gz JZJGEQYBAUDXKU-QAPCUYQASA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033159 1136146407 /nfs/dbraw/zinc/14/64/07/1136146407.db2.gz RKHFABICDMYZBL-RXVVDRJESA-N 1 2 347.462 3.928 20 0 EHADLO C[N@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@H]1CCOC1 ZINC000106857769 1136154221 /nfs/dbraw/zinc/15/42/21/1136154221.db2.gz TUXQJCOQBVKJRX-VIFPVBQESA-N 1 2 326.771 3.568 20 0 EHADLO C[N@@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@H]1CCOC1 ZINC000106857769 1136154224 /nfs/dbraw/zinc/15/42/24/1136154224.db2.gz TUXQJCOQBVKJRX-VIFPVBQESA-N 1 2 326.771 3.568 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000107179590 1136161686 /nfs/dbraw/zinc/16/16/86/1136161686.db2.gz VDJSHPJYPCXTIG-VQTJNVASSA-N 1 2 349.478 3.882 20 0 EHADLO O[C@H]1CCCC[N@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137981235 1136162336 /nfs/dbraw/zinc/16/23/36/1136162336.db2.gz LNTBQSQPDSQPDD-VIFPVBQESA-N 1 2 325.733 3.845 20 0 EHADLO O[C@H]1CCCC[N@@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137981235 1136162339 /nfs/dbraw/zinc/16/23/39/1136162339.db2.gz LNTBQSQPDSQPDD-VIFPVBQESA-N 1 2 325.733 3.845 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cn1)C2 ZINC000338916730 1136163042 /nfs/dbraw/zinc/16/30/42/1136163042.db2.gz IFKNTURMLLUPRE-NWDGAFQWSA-N 1 2 346.862 3.564 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cn1)CC2 ZINC000338916730 1136163043 /nfs/dbraw/zinc/16/30/43/1136163043.db2.gz IFKNTURMLLUPRE-NWDGAFQWSA-N 1 2 346.862 3.564 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000825536729 1136168251 /nfs/dbraw/zinc/16/82/51/1136168251.db2.gz MBFIXYSZVBCZAM-JTQLQIEISA-N 1 2 345.315 3.707 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000825536729 1136168254 /nfs/dbraw/zinc/16/82/54/1136168254.db2.gz MBFIXYSZVBCZAM-JTQLQIEISA-N 1 2 345.315 3.707 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000747782391 1136193742 /nfs/dbraw/zinc/19/37/42/1136193742.db2.gz HTLBPJZDQHOKLP-SNVBAGLBSA-N 1 2 327.211 3.649 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)ccn12 ZINC001133353272 1136221170 /nfs/dbraw/zinc/22/11/70/1136221170.db2.gz VVBDMWALAWSRNM-LLVKDONJSA-N 1 2 348.328 3.548 20 0 EHADLO Cc1ccc(NC(=O)CCc2ccc3ccccc3n2)c(N(C)C)[nH+]1 ZINC000813495715 1136342551 /nfs/dbraw/zinc/34/25/51/1136342551.db2.gz JLKPNTPIPHCANI-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO C/C(=C\C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000851401939 1136376753 /nfs/dbraw/zinc/37/67/53/1136376753.db2.gz SGCCUFBIOVKKAZ-FYWRMAATSA-N 1 2 326.396 3.538 20 0 EHADLO O=C(CCCC(F)(F)F)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399808 1136376771 /nfs/dbraw/zinc/37/67/71/1136376771.db2.gz INMUURQGUILJHO-UHFFFAOYSA-N 1 2 330.350 3.574 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000110188283 1136405273 /nfs/dbraw/zinc/40/52/73/1136405273.db2.gz RVWGFBOKLJSZFO-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000110188283 1136405276 /nfs/dbraw/zinc/40/52/76/1136405276.db2.gz RVWGFBOKLJSZFO-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO O=c1oc(-c2ccc(F)cc2)nn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000110203059 1136408259 /nfs/dbraw/zinc/40/82/59/1136408259.db2.gz XOXLWWKDGRMXAQ-UHFFFAOYSA-N 1 2 345.418 3.645 20 0 EHADLO O=c1oc(-c2ccc(F)cc2)nn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000110203059 1136408261 /nfs/dbraw/zinc/40/82/61/1136408261.db2.gz XOXLWWKDGRMXAQ-UHFFFAOYSA-N 1 2 345.418 3.645 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000851806277 1136409195 /nfs/dbraw/zinc/40/91/95/1136409195.db2.gz MDHCLGULCAQNPY-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000851806277 1136409196 /nfs/dbraw/zinc/40/91/96/1136409196.db2.gz MDHCLGULCAQNPY-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(C)o1 ZINC000851805343 1136409238 /nfs/dbraw/zinc/40/92/38/1136409238.db2.gz AKZDCGSMDRIABS-GOSISDBHSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(C)o1 ZINC000851805343 1136409240 /nfs/dbraw/zinc/40/92/40/1136409240.db2.gz AKZDCGSMDRIABS-GOSISDBHSA-N 1 2 326.396 3.620 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000851814440 1136410446 /nfs/dbraw/zinc/41/04/46/1136410446.db2.gz PZDBRGIBIDKSPZ-ICSRJNTNSA-N 1 2 343.492 3.733 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000851814440 1136410449 /nfs/dbraw/zinc/41/04/49/1136410449.db2.gz PZDBRGIBIDKSPZ-ICSRJNTNSA-N 1 2 343.492 3.733 20 0 EHADLO CO[C@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839385 1136412534 /nfs/dbraw/zinc/41/25/34/1136412534.db2.gz PQEBZAWPFCJGRN-OLZOCXBDSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839385 1136412536 /nfs/dbraw/zinc/41/25/36/1136412536.db2.gz PQEBZAWPFCJGRN-OLZOCXBDSA-N 1 2 349.272 3.856 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cn3nc(C4CC4)n(C)c3=S)C2)cc1 ZINC000814225054 1136424774 /nfs/dbraw/zinc/42/47/74/1136424774.db2.gz OLOKCASHNXKWAC-KRWDZBQOSA-N 1 2 342.512 3.838 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cn3nc(C4CC4)n(C)c3=S)C2)cc1 ZINC000814225054 1136424777 /nfs/dbraw/zinc/42/47/77/1136424777.db2.gz OLOKCASHNXKWAC-KRWDZBQOSA-N 1 2 342.512 3.838 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)c(C)o1 ZINC000852051494 1136429538 /nfs/dbraw/zinc/42/95/38/1136429538.db2.gz JFNFTIGJYJZTKB-KRWDZBQOSA-N 1 2 349.475 3.705 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)c(C)o1 ZINC000852051494 1136429539 /nfs/dbraw/zinc/42/95/39/1136429539.db2.gz JFNFTIGJYJZTKB-KRWDZBQOSA-N 1 2 349.475 3.705 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccnc1 ZINC000852092578 1136433022 /nfs/dbraw/zinc/43/30/22/1136433022.db2.gz RPRDYZJGLGRUSR-HNNXBMFYSA-N 1 2 340.254 3.633 20 0 EHADLO C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCO2 ZINC001134346364 1136454672 /nfs/dbraw/zinc/45/46/72/1136454672.db2.gz DQPSAUQWIHFLOA-HNNXBMFYSA-N 1 2 348.402 3.784 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000852547357 1136465012 /nfs/dbraw/zinc/46/50/12/1136465012.db2.gz NCAFJEBPUGTQJY-MOPGFXCFSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@@H](O)c1ccccc1F ZINC000852547357 1136465015 /nfs/dbraw/zinc/46/50/15/1136465015.db2.gz NCAFJEBPUGTQJY-MOPGFXCFSA-N 1 2 347.405 3.850 20 0 EHADLO CCOC(=O)c1csc(C[N@H+](CCc2ccccc2)C2CC2)n1 ZINC000814619576 1136480695 /nfs/dbraw/zinc/48/06/95/1136480695.db2.gz QWGYGAQAEMAIAV-UHFFFAOYSA-N 1 2 330.453 3.527 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+](CCc2ccccc2)C2CC2)n1 ZINC000814619576 1136480699 /nfs/dbraw/zinc/48/06/99/1136480699.db2.gz QWGYGAQAEMAIAV-UHFFFAOYSA-N 1 2 330.453 3.527 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000111171332 1136519022 /nfs/dbraw/zinc/51/90/22/1136519022.db2.gz MCJDFQZVUAQQKJ-OAHLLOKOSA-N 1 2 345.874 3.641 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000111171332 1136519024 /nfs/dbraw/zinc/51/90/24/1136519024.db2.gz MCJDFQZVUAQQKJ-OAHLLOKOSA-N 1 2 345.874 3.641 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171477 1136519370 /nfs/dbraw/zinc/51/93/70/1136519370.db2.gz MQKIIMKBRXUSMV-CQSZACIVSA-N 1 2 336.892 3.843 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171477 1136519373 /nfs/dbraw/zinc/51/93/73/1136519373.db2.gz MQKIIMKBRXUSMV-CQSZACIVSA-N 1 2 336.892 3.843 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000853237699 1136520963 /nfs/dbraw/zinc/52/09/63/1136520963.db2.gz UVTLDTDKXYIOKX-UHFFFAOYSA-N 1 2 349.434 3.662 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000747985080 1136525578 /nfs/dbraw/zinc/52/55/78/1136525578.db2.gz FWCGGOXQZMNWIQ-GFCCVEGCSA-N 1 2 334.872 3.845 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000747985080 1136525581 /nfs/dbraw/zinc/52/55/81/1136525581.db2.gz FWCGGOXQZMNWIQ-GFCCVEGCSA-N 1 2 334.872 3.845 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000853445820 1136533172 /nfs/dbraw/zinc/53/31/72/1136533172.db2.gz XTKVWHIUBYCQLT-INIZCTEOSA-N 1 2 338.407 3.656 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](CN1C[C@@H](c3cccnc3)CC1=O)CC2 ZINC000853534528 1136542469 /nfs/dbraw/zinc/54/24/69/1136542469.db2.gz UKWDPPBODDAXLT-NRFANRHFSA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](CN1C[C@@H](c3cccnc3)CC1=O)CC2 ZINC000853534528 1136542472 /nfs/dbraw/zinc/54/24/72/1136542472.db2.gz UKWDPPBODDAXLT-NRFANRHFSA-N 1 2 349.478 3.537 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CCC3)C2)nc1-c1ccco1 ZINC000853588930 1136546850 /nfs/dbraw/zinc/54/68/50/1136546850.db2.gz JFUFANOHOZZRTM-CQSZACIVSA-N 1 2 332.473 3.681 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](C3CCC3)C2)nc1-c1ccco1 ZINC000853588930 1136546854 /nfs/dbraw/zinc/54/68/54/1136546854.db2.gz JFUFANOHOZZRTM-CQSZACIVSA-N 1 2 332.473 3.681 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CCCC[C@H]2CC2CCC2)c1=S ZINC000853607967 1136548826 /nfs/dbraw/zinc/54/88/26/1136548826.db2.gz ZRUMBQYGNZGTMU-LBPRGKRZSA-N 1 2 330.448 3.891 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CCCC[C@H]2CC2CCC2)c1=S ZINC000853607967 1136548830 /nfs/dbraw/zinc/54/88/30/1136548830.db2.gz ZRUMBQYGNZGTMU-LBPRGKRZSA-N 1 2 330.448 3.891 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1)C1CC1 ZINC000815160596 1136559017 /nfs/dbraw/zinc/55/90/17/1136559017.db2.gz GBZPINYPXXXXTQ-UHFFFAOYSA-N 1 2 334.423 3.770 20 0 EHADLO CC(F)(F)c1ccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)cc1 ZINC000815141764 1136561744 /nfs/dbraw/zinc/56/17/44/1136561744.db2.gz GZLKUJCRNLQPQG-UHFFFAOYSA-N 1 2 328.366 3.669 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1 ZINC000815146242 1136562383 /nfs/dbraw/zinc/56/23/83/1136562383.db2.gz OLWZZPMOQGMHHJ-INIZCTEOSA-N 1 2 345.361 3.544 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1 ZINC000815146242 1136562385 /nfs/dbraw/zinc/56/23/85/1136562385.db2.gz OLWZZPMOQGMHHJ-INIZCTEOSA-N 1 2 345.361 3.544 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776750036 1136630976 /nfs/dbraw/zinc/63/09/76/1136630976.db2.gz LGXGEBUTMNNBNC-LBPRGKRZSA-N 1 2 336.420 3.777 20 0 EHADLO CN(C)c1ccc2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000854811285 1136644718 /nfs/dbraw/zinc/64/47/18/1136644718.db2.gz FGXNBRNDDCPJCK-UHFFFAOYSA-N 1 2 348.450 3.620 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccnc(OC(C)C)c1)c1ccccc1 ZINC000816121410 1136674677 /nfs/dbraw/zinc/67/46/77/1136674677.db2.gz GZYHCPIPABEETN-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccnc(OC(C)C)c1)c1ccccc1 ZINC000816121410 1136674680 /nfs/dbraw/zinc/67/46/80/1136674680.db2.gz GZYHCPIPABEETN-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000816138721 1136681491 /nfs/dbraw/zinc/68/14/91/1136681491.db2.gz FOZGYUAPNIOQDP-KSPBDQMDSA-N 1 2 334.366 3.602 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cn1ncn(C2CC2)c1=S ZINC000113246760 1136688278 /nfs/dbraw/zinc/68/82/78/1136688278.db2.gz XROQZQKRHVLJAA-UHFFFAOYSA-N 1 2 334.464 3.800 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cn1ncn(C2CC2)c1=S ZINC000113246760 1136688280 /nfs/dbraw/zinc/68/82/80/1136688280.db2.gz XROQZQKRHVLJAA-UHFFFAOYSA-N 1 2 334.464 3.800 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001135508414 1136698514 /nfs/dbraw/zinc/69/85/14/1136698514.db2.gz ZJHZIGIYSDAQIS-GOSISDBHSA-N 1 2 330.378 3.958 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001135508414 1136698516 /nfs/dbraw/zinc/69/85/16/1136698516.db2.gz ZJHZIGIYSDAQIS-GOSISDBHSA-N 1 2 330.378 3.958 20 0 EHADLO CCc1occc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816397753 1136709915 /nfs/dbraw/zinc/70/99/15/1136709915.db2.gz QBOKBXXKKDQTAJ-AWEZNQCLSA-N 1 2 341.455 3.900 20 0 EHADLO CCc1occc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816397753 1136709919 /nfs/dbraw/zinc/70/99/19/1136709919.db2.gz QBOKBXXKKDQTAJ-AWEZNQCLSA-N 1 2 341.455 3.900 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc2[nH+]ccn21 ZINC000776832913 1136726552 /nfs/dbraw/zinc/72/65/52/1136726552.db2.gz LZICTIQJTIKHCM-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@@H]3CCOC[C@@H]3C)ccc21 ZINC001170829278 1136728648 /nfs/dbraw/zinc/72/86/48/1136728648.db2.gz CRTGHSREDBFZLX-GOEBONIOSA-N 1 2 337.423 3.871 20 0 EHADLO CCS(=O)(=O)CC[N@H+](C)Cc1sc2c(cccc2Cl)c1C ZINC000816514865 1136729415 /nfs/dbraw/zinc/72/94/15/1136729415.db2.gz JHYZJPIKILSGRB-UHFFFAOYSA-N 1 2 345.917 3.730 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](C)Cc1sc2c(cccc2Cl)c1C ZINC000816514865 1136729417 /nfs/dbraw/zinc/72/94/17/1136729417.db2.gz JHYZJPIKILSGRB-UHFFFAOYSA-N 1 2 345.917 3.730 20 0 EHADLO COC(=O)c1cnc(NCc2cc(C)[nH+]c(C)c2)cc1C(F)(F)F ZINC000817123256 1136781509 /nfs/dbraw/zinc/78/15/09/1136781509.db2.gz HJIINMWUGBYFJE-UHFFFAOYSA-N 1 2 339.317 3.511 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001135853844 1136789687 /nfs/dbraw/zinc/78/96/87/1136789687.db2.gz LCUOXCBXCKISIP-OAHLLOKOSA-N 1 2 346.434 3.921 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001135853844 1136789690 /nfs/dbraw/zinc/78/96/90/1136789690.db2.gz LCUOXCBXCKISIP-OAHLLOKOSA-N 1 2 346.434 3.921 20 0 EHADLO C/C=C(/C=C\C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)CC ZINC001135865948 1136791423 /nfs/dbraw/zinc/79/14/23/1136791423.db2.gz ISIGMNYEOKWWJX-IJUWYDQYSA-N 1 2 342.483 3.560 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001135881194 1136797251 /nfs/dbraw/zinc/79/72/51/1136797251.db2.gz LAMWQRUXADDLMU-NSHDSACASA-N 1 2 340.267 3.757 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001135881194 1136797252 /nfs/dbraw/zinc/79/72/52/1136797252.db2.gz LAMWQRUXADDLMU-NSHDSACASA-N 1 2 340.267 3.757 20 0 EHADLO Cc1ccc(Cl)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1F ZINC001138030640 1136815384 /nfs/dbraw/zinc/81/53/84/1136815384.db2.gz NCTZNMNHSLSTAH-UHFFFAOYSA-N 1 2 325.733 3.677 20 0 EHADLO CC(C)c1ccccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001136026726 1136840678 /nfs/dbraw/zinc/84/06/78/1136840678.db2.gz HCNNSXLKPHDAMB-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170890554 1136863610 /nfs/dbraw/zinc/86/36/10/1136863610.db2.gz VJEKNXYGJXLHDV-OAHLLOKOSA-N 1 2 347.256 3.661 20 0 EHADLO Cc1nc2c(o1)CC[N@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170890554 1136863613 /nfs/dbraw/zinc/86/36/13/1136863613.db2.gz VJEKNXYGJXLHDV-OAHLLOKOSA-N 1 2 347.256 3.661 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C(OC)OC)ccc2F)o1 ZINC000818218022 1136866638 /nfs/dbraw/zinc/86/66/38/1136866638.db2.gz XCEPJVJSRBBTCS-UHFFFAOYSA-N 1 2 336.407 3.656 20 0 EHADLO COCCCOc1ccc(NCc2c[nH+]cn2C(C)C)cc1OC ZINC000818214819 1136866727 /nfs/dbraw/zinc/86/67/27/1136866727.db2.gz MXHBDWIEKDTWAS-UHFFFAOYSA-N 1 2 333.432 3.500 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)[C@@H]2CCCc3ccccc32)nc1C1CC1 ZINC000818260162 1136868827 /nfs/dbraw/zinc/86/88/27/1136868827.db2.gz VWUXXEPJFWBGOY-MRXNPFEDSA-N 1 2 328.485 3.795 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nc1C1CC1 ZINC000818260162 1136868828 /nfs/dbraw/zinc/86/88/28/1136868828.db2.gz VWUXXEPJFWBGOY-MRXNPFEDSA-N 1 2 328.485 3.795 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170895773 1136868949 /nfs/dbraw/zinc/86/89/49/1136868949.db2.gz VJEDWAOEGHBVJW-VQIMIIECSA-N 1 2 343.854 3.571 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512126 1136903443 /nfs/dbraw/zinc/90/34/43/1136903443.db2.gz MGNQYKZMTVNBQB-TZMCWYRMSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512126 1136903446 /nfs/dbraw/zinc/90/34/46/1136903446.db2.gz MGNQYKZMTVNBQB-TZMCWYRMSA-N 1 2 334.514 3.576 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1cccs1)CC(F)(F)F ZINC000776975281 1136908120 /nfs/dbraw/zinc/90/81/20/1136908120.db2.gz UEQJAVMVCSVVSL-UHFFFAOYSA-N 1 2 339.342 3.601 20 0 EHADLO Clc1ccc2nc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cn2c1 ZINC000857901126 1136919639 /nfs/dbraw/zinc/91/96/39/1136919639.db2.gz JRRDBQAXNAKLLO-CYBMUJFWSA-N 1 2 333.222 3.813 20 0 EHADLO CC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857983360 1136927515 /nfs/dbraw/zinc/92/75/15/1136927515.db2.gz QESSCLAZDGBLEU-ZIAGYGMSSA-N 1 2 337.345 3.657 20 0 EHADLO Clc1ncc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858050895 1136935455 /nfs/dbraw/zinc/93/54/55/1136935455.db2.gz SQACFHSJICTEQL-ZDUSSCGKSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ncc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858050895 1136935456 /nfs/dbraw/zinc/93/54/56/1136935456.db2.gz SQACFHSJICTEQL-ZDUSSCGKSA-N 1 2 335.860 3.722 20 0 EHADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)no1 ZINC000858051706 1136935558 /nfs/dbraw/zinc/93/55/58/1136935558.db2.gz MPQHFJVSMLKCIY-KRWDZBQOSA-N 1 2 341.455 3.898 20 0 EHADLO CC(C)(C)c1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)no1 ZINC000858051706 1136935561 /nfs/dbraw/zinc/93/55/61/1136935561.db2.gz MPQHFJVSMLKCIY-KRWDZBQOSA-N 1 2 341.455 3.898 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cnc1Cl ZINC000858049853 1136935585 /nfs/dbraw/zinc/93/55/85/1136935585.db2.gz AVPVYGXBIXLVTG-HNNXBMFYSA-N 1 2 347.821 3.800 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cnc1Cl ZINC000858049853 1136935587 /nfs/dbraw/zinc/93/55/87/1136935587.db2.gz AVPVYGXBIXLVTG-HNNXBMFYSA-N 1 2 347.821 3.800 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cc(C)c(F)cc2Br)s1 ZINC000858146719 1136943775 /nfs/dbraw/zinc/94/37/75/1136943775.db2.gz MRXQSBRGNIUJBW-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H](O)C1CCCCCCC1 ZINC001136270241 1136963449 /nfs/dbraw/zinc/96/34/49/1136963449.db2.gz MDGNNNLEGQFQFG-SFHVURJKSA-N 1 2 327.428 3.532 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccns2)nnn1-c1ccc(C)cc1 ZINC000858577128 1136980112 /nfs/dbraw/zinc/98/01/12/1136980112.db2.gz HYMVPXSBLHYSCX-STQMWFEESA-N 1 2 327.457 3.752 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2ccns2)nnn1-c1ccc(F)cc1 ZINC000858576829 1136980171 /nfs/dbraw/zinc/98/01/71/1136980171.db2.gz FQGUESPDZXJCTA-MNOVXSKESA-N 1 2 331.420 3.583 20 0 EHADLO CC(C)=C(C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000820288291 1136987293 /nfs/dbraw/zinc/98/72/93/1136987293.db2.gz FSDSJSQOUAEXCN-UHFFFAOYSA-N 1 2 329.488 3.584 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCc2ccccc2CC1 ZINC000858727230 1136989086 /nfs/dbraw/zinc/98/90/86/1136989086.db2.gz GMKNCKGVTFMMGO-LJQANCHMSA-N 1 2 339.483 3.609 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)c2)[nH+]c1C ZINC000858741155 1136989838 /nfs/dbraw/zinc/98/98/38/1136989838.db2.gz ZHCFPDPXFQMBQM-KWAYOQMPSA-N 1 2 327.428 3.692 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859075247 1137002299 /nfs/dbraw/zinc/00/22/99/1137002299.db2.gz OUHFKKFGRSVBPZ-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO Cc1ccc2sc(C[N@H+](C)CCNC(=O)OC(C)(C)C)nc2c1 ZINC000859329643 1137011625 /nfs/dbraw/zinc/01/16/25/1137011625.db2.gz SCTWPSBFAUEUKM-UHFFFAOYSA-N 1 2 335.473 3.561 20 0 EHADLO Cc1ccc2sc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)nc2c1 ZINC000859329643 1137011627 /nfs/dbraw/zinc/01/16/27/1137011627.db2.gz SCTWPSBFAUEUKM-UHFFFAOYSA-N 1 2 335.473 3.561 20 0 EHADLO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cc2c[nH+]ccc2[nH]1 ZINC000821156112 1137019316 /nfs/dbraw/zinc/01/93/16/1137019316.db2.gz VIXKDPDHEXDWLY-JQWIXIFHSA-N 1 2 325.334 3.804 20 0 EHADLO COC(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl)OC ZINC000859912239 1137036741 /nfs/dbraw/zinc/03/67/41/1137036741.db2.gz JJLJQLPPKVJXBG-CYBMUJFWSA-N 1 2 348.668 3.858 20 0 EHADLO COC(C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl)OC ZINC000859912239 1137036742 /nfs/dbraw/zinc/03/67/42/1137036742.db2.gz JJLJQLPPKVJXBG-CYBMUJFWSA-N 1 2 348.668 3.858 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001136504741 1137039424 /nfs/dbraw/zinc/03/94/24/1137039424.db2.gz MUWKZXYMESSHDS-INIZCTEOSA-N 1 2 340.442 3.526 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000860042447 1137041527 /nfs/dbraw/zinc/04/15/27/1137041527.db2.gz GNBFJCSSQBPHDH-LIRRHRJNSA-N 1 2 336.439 3.650 20 0 EHADLO COc1cccc([C@@H](O)C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c1 ZINC000860140250 1137046176 /nfs/dbraw/zinc/04/61/76/1137046176.db2.gz ZPKMFQBPEUXHTB-FQEVSTJZSA-N 1 2 342.439 3.506 20 0 EHADLO CCC[C@@H](OCC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000860748906 1137076516 /nfs/dbraw/zinc/07/65/16/1137076516.db2.gz NRSPTTMDQYUOKK-GOSISDBHSA-N 1 2 342.439 3.997 20 0 EHADLO C[C@@H](Cc1cccs1)NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001136640779 1137077093 /nfs/dbraw/zinc/07/70/93/1137077093.db2.gz KOZZPCRGOOGUPD-AWEZNQCLSA-N 1 2 337.448 3.670 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1C ZINC000822888140 1137077486 /nfs/dbraw/zinc/07/74/86/1137077486.db2.gz PIINIVDWRNPCQR-ZWKOTPCHSA-N 1 2 338.451 3.907 20 0 EHADLO Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC001137661793 1137088387 /nfs/dbraw/zinc/08/83/87/1137088387.db2.gz ALSTURPPKWRRRV-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC001137661793 1137088388 /nfs/dbraw/zinc/08/83/88/1137088388.db2.gz ALSTURPPKWRRRV-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(F)cn1 ZINC000823477112 1137101741 /nfs/dbraw/zinc/10/17/41/1137101741.db2.gz KMCFMAOVGJNYQE-QGZVFWFLSA-N 1 2 332.394 3.584 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(F)cn1 ZINC000823477112 1137101742 /nfs/dbraw/zinc/10/17/42/1137101742.db2.gz KMCFMAOVGJNYQE-QGZVFWFLSA-N 1 2 332.394 3.584 20 0 EHADLO O=C1[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CCCN1c1ccccc1 ZINC001171019868 1137101883 /nfs/dbraw/zinc/10/18/83/1137101883.db2.gz YBCRIWXPICYSQO-GOSISDBHSA-N 1 2 326.827 3.851 20 0 EHADLO O=C1[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)CCCN1c1ccccc1 ZINC001171019868 1137101884 /nfs/dbraw/zinc/10/18/84/1137101884.db2.gz YBCRIWXPICYSQO-GOSISDBHSA-N 1 2 326.827 3.851 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001136729233 1137102526 /nfs/dbraw/zinc/10/25/26/1137102526.db2.gz VOVWSAGVPZIULS-QRWLVFNGSA-N 1 2 349.434 3.503 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001136729233 1137102527 /nfs/dbraw/zinc/10/25/27/1137102527.db2.gz VOVWSAGVPZIULS-QRWLVFNGSA-N 1 2 349.434 3.503 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022798 1137108202 /nfs/dbraw/zinc/10/82/02/1137108202.db2.gz PSXLLNYKNDZRQJ-CJNGLKHVSA-N 1 2 341.854 3.857 20 0 EHADLO C[C@@H]1SCC[N@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@H]1C ZINC000118383660 1137113238 /nfs/dbraw/zinc/11/32/38/1137113238.db2.gz RIUOWLHUZYDUMM-STQMWFEESA-N 1 2 340.562 3.847 20 0 EHADLO C[C@@H]1SCC[N@@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@H]1C ZINC000118383660 1137113239 /nfs/dbraw/zinc/11/32/39/1137113239.db2.gz RIUOWLHUZYDUMM-STQMWFEESA-N 1 2 340.562 3.847 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)ncc1F)c1cccc(C(F)(F)F)c1 ZINC000823861218 1137116772 /nfs/dbraw/zinc/11/67/72/1137116772.db2.gz ZXBVBYUNIFJCNM-CQSZACIVSA-N 1 2 346.299 3.856 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001136813036 1137122809 /nfs/dbraw/zinc/12/28/09/1137122809.db2.gz TTZNNCNZWQKNSN-SFHVURJKSA-N 1 2 325.456 3.700 20 0 EHADLO CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001136848597 1137130992 /nfs/dbraw/zinc/13/09/92/1137130992.db2.gz JZRMQHFXHVHWAF-RCCFBDPRSA-N 1 2 349.519 3.913 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC001136856149 1137132579 /nfs/dbraw/zinc/13/25/79/1137132579.db2.gz BIESEZQLYXQNJA-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC001136856149 1137132580 /nfs/dbraw/zinc/13/25/80/1137132580.db2.gz BIESEZQLYXQNJA-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)c(Br)n1 ZINC000862220825 1137132781 /nfs/dbraw/zinc/13/27/81/1137132781.db2.gz QPHHHFPUGQJXBU-LBPRGKRZSA-N 1 2 326.263 3.581 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccsc2)c(Br)n1 ZINC000862220825 1137132782 /nfs/dbraw/zinc/13/27/82/1137132782.db2.gz QPHHHFPUGQJXBU-LBPRGKRZSA-N 1 2 326.263 3.581 20 0 EHADLO O=C([C@@H]1CCCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1)N1CCCC1 ZINC001136862600 1137134005 /nfs/dbraw/zinc/13/40/05/1137134005.db2.gz RSRDXDWKPZOYFI-SFHVURJKSA-N 1 2 345.874 3.798 20 0 EHADLO O=C([C@@H]1CCCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1)N1CCCC1 ZINC001136862600 1137134006 /nfs/dbraw/zinc/13/40/06/1137134006.db2.gz RSRDXDWKPZOYFI-SFHVURJKSA-N 1 2 345.874 3.798 20 0 EHADLO CCn1nc(C)c(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC000824363744 1137134765 /nfs/dbraw/zinc/13/47/65/1137134765.db2.gz IPEOEUMUAMOHCJ-GOSISDBHSA-N 1 2 334.414 3.668 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)[nH+]c1C ZINC000862251474 1137135486 /nfs/dbraw/zinc/13/54/86/1137135486.db2.gz FGRMHPXRBMQZJR-GOSISDBHSA-N 1 2 341.480 3.824 20 0 EHADLO COc1cccc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000339034571 1137136138 /nfs/dbraw/zinc/13/61/38/1137136138.db2.gz RBBSDDKIDJRWTC-CQSZACIVSA-N 1 2 345.406 3.997 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171058116 1137141076 /nfs/dbraw/zinc/14/10/76/1137141076.db2.gz JQMPQIZMUVSPPF-GWCFXTLKSA-N 1 2 330.255 3.780 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(O)c(Cl)c2)sc1Br ZINC000824590716 1137144337 /nfs/dbraw/zinc/14/43/37/1137144337.db2.gz OPOZQNUFBCFEIE-UHFFFAOYSA-N 1 2 347.665 3.863 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)CCCC2=O ZINC000339042021 1137153882 /nfs/dbraw/zinc/15/38/82/1137153882.db2.gz XEQFDDJZMISJTJ-UHFFFAOYSA-N 1 2 349.365 3.783 20 0 EHADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000825104375 1137163583 /nfs/dbraw/zinc/16/35/83/1137163583.db2.gz VLUNKGCMAIEFSG-ZYHUDNBSSA-N 1 2 340.901 3.903 20 0 EHADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000825104375 1137163585 /nfs/dbraw/zinc/16/35/85/1137163585.db2.gz VLUNKGCMAIEFSG-ZYHUDNBSSA-N 1 2 340.901 3.903 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3cncc(Cl)c3)CC2)c1 ZINC001136994517 1137167322 /nfs/dbraw/zinc/16/73/22/1137167322.db2.gz ZOUDUPGGHVTMDR-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)ccc(F)c2Br)[C@](C)(CO)C1 ZINC001143812910 1137202768 /nfs/dbraw/zinc/20/27/68/1137202768.db2.gz HDILIRUIRNBSKZ-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO FC(F)(F)c1ccccc1OC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001137027363 1137175232 /nfs/dbraw/zinc/17/52/32/1137175232.db2.gz WCHZOGLOSMXUAI-UHFFFAOYSA-N 1 2 349.352 3.999 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000863254214 1137177930 /nfs/dbraw/zinc/17/79/30/1137177930.db2.gz AGTQFNWCIPVKNK-SJORKVTESA-N 1 2 337.467 3.697 20 0 EHADLO Cc1cc(C)cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000825451994 1137178364 /nfs/dbraw/zinc/17/83/64/1137178364.db2.gz COOIWNCQUKMLJW-UHFFFAOYSA-N 1 2 327.424 3.813 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000863265773 1137178911 /nfs/dbraw/zinc/17/89/11/1137178911.db2.gz VEWJRPOFCIPMFL-OALUTQOASA-N 1 2 337.423 3.678 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000863265773 1137178912 /nfs/dbraw/zinc/17/89/12/1137178912.db2.gz VEWJRPOFCIPMFL-OALUTQOASA-N 1 2 337.423 3.678 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccccc1 ZINC000863329497 1137181337 /nfs/dbraw/zinc/18/13/37/1137181337.db2.gz CCGOEYRNNNYVOX-UHFFFAOYSA-N 1 2 328.485 3.842 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccccc1 ZINC000863329497 1137181338 /nfs/dbraw/zinc/18/13/38/1137181338.db2.gz CCGOEYRNNNYVOX-UHFFFAOYSA-N 1 2 328.485 3.842 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341320 1137181525 /nfs/dbraw/zinc/18/15/25/1137181525.db2.gz WHVAAEDERPROKU-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341320 1137181527 /nfs/dbraw/zinc/18/15/27/1137181527.db2.gz WHVAAEDERPROKU-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341319 1137181710 /nfs/dbraw/zinc/18/17/10/1137181710.db2.gz WHVAAEDERPROKU-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341319 1137181711 /nfs/dbraw/zinc/18/17/11/1137181711.db2.gz WHVAAEDERPROKU-JZIMQPMSSA-N 1 2 343.500 3.649 20 0 EHADLO Cc1cnc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1Br ZINC001143662541 1137187230 /nfs/dbraw/zinc/18/72/30/1137187230.db2.gz RMTGOLFLKKKVGY-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO Cc1cnc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1Br ZINC001143662541 1137187231 /nfs/dbraw/zinc/18/72/31/1137187231.db2.gz RMTGOLFLKKKVGY-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863481371 1137188599 /nfs/dbraw/zinc/18/85/99/1137188599.db2.gz FMLCSVXENXFZGJ-SSZFMOIBSA-N 1 2 349.434 3.509 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cc(C(F)(F)F)ccn2)c1C ZINC000339057740 1137192314 /nfs/dbraw/zinc/19/23/14/1137192314.db2.gz WNKAQAHKPJDZNO-UHFFFAOYSA-N 1 2 325.334 3.757 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCc4ccc(Cl)cc43)[nH+]c12 ZINC000863636938 1137195822 /nfs/dbraw/zinc/19/58/22/1137195822.db2.gz ATDOIRWQUBKZCU-QGZVFWFLSA-N 1 2 339.826 3.642 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCc4ccc(Cl)cc43)[nH+]c12 ZINC000863636937 1137195864 /nfs/dbraw/zinc/19/58/64/1137195864.db2.gz ATDOIRWQUBKZCU-KRWDZBQOSA-N 1 2 339.826 3.642 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2cn(CC)nc21 ZINC001143763385 1137196417 /nfs/dbraw/zinc/19/64/17/1137196417.db2.gz HZYKPVDJROIFII-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2cn(CC)nc21 ZINC001143763385 1137196418 /nfs/dbraw/zinc/19/64/18/1137196418.db2.gz HZYKPVDJROIFII-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(-c3cccc(OC(C)C)c3)no2)c1 ZINC000863660953 1137197514 /nfs/dbraw/zinc/19/75/14/1137197514.db2.gz CEFVXLBICCCTPS-QGZVFWFLSA-N 1 2 339.395 3.581 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000119591626 1137199302 /nfs/dbraw/zinc/19/93/02/1137199302.db2.gz WRNYSWONGNCXNN-AWEZNQCLSA-N 1 2 328.485 3.970 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000119591626 1137199304 /nfs/dbraw/zinc/19/93/04/1137199304.db2.gz WRNYSWONGNCXNN-AWEZNQCLSA-N 1 2 328.485 3.970 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000119602515 1137201426 /nfs/dbraw/zinc/20/14/26/1137201426.db2.gz HBGKWBGCPBBOSF-UHFFFAOYSA-N 1 2 346.233 3.767 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000119602515 1137201427 /nfs/dbraw/zinc/20/14/27/1137201427.db2.gz HBGKWBGCPBBOSF-UHFFFAOYSA-N 1 2 346.233 3.767 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)ccc(F)c2Br)[C@](C)(CO)C1 ZINC001143812910 1137202767 /nfs/dbraw/zinc/20/27/67/1137202767.db2.gz HDILIRUIRNBSKZ-HNNXBMFYSA-N 1 2 348.231 3.710 20 0 EHADLO Fc1ccc(Cl)c(Cl)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001143860602 1137205185 /nfs/dbraw/zinc/20/51/85/1137205185.db2.gz QICXFBBHNPVWBZ-UHFFFAOYSA-N 1 2 335.225 3.751 20 0 EHADLO O=C1CCC2(CC[NH+](Cc3c(F)ccc(Cl)c3Cl)CC2)O1 ZINC001143860899 1137205198 /nfs/dbraw/zinc/20/51/98/1137205198.db2.gz VHNGTTHAUROAQD-UHFFFAOYSA-N 1 2 332.202 3.804 20 0 EHADLO CCc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)cc1 ZINC000844265488 1137207297 /nfs/dbraw/zinc/20/72/97/1137207297.db2.gz ZJBRFMQINGQGGC-UHFFFAOYSA-N 1 2 327.424 3.759 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)c2=S)cc1 ZINC000794639223 1137220732 /nfs/dbraw/zinc/22/07/32/1137220732.db2.gz IYAMOCUCBMUTPF-ZIAGYGMSSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@@H](C)[C@H](C)C3)c2=S)cc1 ZINC000794639223 1137220734 /nfs/dbraw/zinc/22/07/34/1137220734.db2.gz IYAMOCUCBMUTPF-ZIAGYGMSSA-N 1 2 346.500 3.656 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C)n1Cc1ccco1 ZINC000844454723 1137221435 /nfs/dbraw/zinc/22/14/35/1137221435.db2.gz ULCILLREMYKSEG-XYPHTWIQSA-N 1 2 348.393 3.514 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C)n1Cc1ccco1 ZINC000844454723 1137221436 /nfs/dbraw/zinc/22/14/36/1137221436.db2.gz ULCILLREMYKSEG-XYPHTWIQSA-N 1 2 348.393 3.514 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C\C1CCCCCC1 ZINC000844432874 1137221924 /nfs/dbraw/zinc/22/19/24/1137221924.db2.gz ZWQZJUGJWAYBSO-FLIBITNWSA-N 1 2 343.471 3.692 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000339067483 1137224169 /nfs/dbraw/zinc/22/41/69/1137224169.db2.gz ABJZDUSPXUWFGT-UHFFFAOYSA-N 1 2 328.843 3.606 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1[nH]c(-c2ccc(OC)cc2)nc1=S ZINC000794687981 1137227574 /nfs/dbraw/zinc/22/75/74/1137227574.db2.gz KTMQEKTVEUCKMZ-UHFFFAOYSA-N 1 2 332.473 3.696 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1[nH]c(-c2ccc(OC)cc2)nc1=S ZINC000794687981 1137227576 /nfs/dbraw/zinc/22/75/76/1137227576.db2.gz KTMQEKTVEUCKMZ-UHFFFAOYSA-N 1 2 332.473 3.696 20 0 EHADLO Cc1cn2cc(NC(=O)NCCC[C@H]3CC3(Cl)Cl)ccc2[nH+]1 ZINC000844526948 1137231181 /nfs/dbraw/zinc/23/11/81/1137231181.db2.gz LHHSARZFPZYOJV-NSHDSACASA-N 1 2 341.242 3.738 20 0 EHADLO CCOC(=O)c1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c(=S)s1 ZINC000794706240 1137237795 /nfs/dbraw/zinc/23/77/95/1137237795.db2.gz NNFPIZOYRHKOEZ-LLVKDONJSA-N 1 2 343.518 3.566 20 0 EHADLO CCOC(=O)c1nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(=S)s1 ZINC000794706240 1137237797 /nfs/dbraw/zinc/23/77/97/1137237797.db2.gz NNFPIZOYRHKOEZ-LLVKDONJSA-N 1 2 343.518 3.566 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131116 1137244343 /nfs/dbraw/zinc/24/43/43/1137244343.db2.gz VGDQFOOJKHMKDE-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131116 1137244344 /nfs/dbraw/zinc/24/43/44/1137244344.db2.gz VGDQFOOJKHMKDE-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)no1 ZINC001144130214 1137244370 /nfs/dbraw/zinc/24/43/70/1137244370.db2.gz BHEHHTMEJCUZOZ-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO C[N@H+](C[C@@H]1CC=CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700236 1137248702 /nfs/dbraw/zinc/24/87/02/1137248702.db2.gz ITHPHMJBFDVZAQ-CYBMUJFWSA-N 1 2 349.887 3.871 20 0 EHADLO C[N@@H+](C[C@@H]1CC=CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700236 1137248704 /nfs/dbraw/zinc/24/87/04/1137248704.db2.gz ITHPHMJBFDVZAQ-CYBMUJFWSA-N 1 2 349.887 3.871 20 0 EHADLO FC(F)(F)c1nn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844750353 1137249723 /nfs/dbraw/zinc/24/97/23/1137249723.db2.gz KRBGDZUCNBFUPD-SECBINFHSA-N 1 2 345.362 3.772 20 0 EHADLO FC(F)(F)c1nn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(=S)s1 ZINC000844750353 1137249725 /nfs/dbraw/zinc/24/97/25/1137249725.db2.gz KRBGDZUCNBFUPD-SECBINFHSA-N 1 2 345.362 3.772 20 0 EHADLO COC(=[NH2+])c1cccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC001171151059 1137252370 /nfs/dbraw/zinc/25/23/70/1137252370.db2.gz MTLMHGKXTUUIRT-OAHLLOKOSA-N 1 2 338.329 3.823 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000844794424 1137252387 /nfs/dbraw/zinc/25/23/87/1137252387.db2.gz SHCIXTFQDPICAX-MRXNPFEDSA-N 1 2 343.475 3.720 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065269 1137261077 /nfs/dbraw/zinc/26/10/77/1137261077.db2.gz JPYMJVJHBFIBNM-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO CC(C)(CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000865176512 1137267035 /nfs/dbraw/zinc/26/70/35/1137267035.db2.gz SVNVJPKZILWXRE-UHFFFAOYSA-N 1 2 343.446 3.897 20 0 EHADLO Brc1ncccc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000865289212 1137274463 /nfs/dbraw/zinc/27/44/63/1137274463.db2.gz ALBWHKKSXUNCFJ-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)Cn2c[nH+]c(C(C)(C)C)c2)c1C ZINC000865374338 1137278546 /nfs/dbraw/zinc/27/85/46/1137278546.db2.gz CJWNQBXWRNFWGH-AWEZNQCLSA-N 1 2 331.460 3.689 20 0 EHADLO Cc1nc2c(s1)C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144386084 1137281965 /nfs/dbraw/zinc/28/19/65/1137281965.db2.gz QHAVGPIDJKEHHA-UHFFFAOYSA-N 1 2 328.359 3.734 20 0 EHADLO Cc1nc2c(s1)C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144386084 1137281967 /nfs/dbraw/zinc/28/19/67/1137281967.db2.gz QHAVGPIDJKEHHA-UHFFFAOYSA-N 1 2 328.359 3.734 20 0 EHADLO CCCCc1ccc(C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845279506 1137283322 /nfs/dbraw/zinc/28/33/22/1137283322.db2.gz NYBJWFMTDKBPOH-OAHLLOKOSA-N 1 2 328.412 3.603 20 0 EHADLO Brc1ncccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000865467788 1137286600 /nfs/dbraw/zinc/28/66/00/1137286600.db2.gz PRPLQUJKEIAKDC-UHFFFAOYSA-N 1 2 338.274 3.860 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1nccc(C)c1Br ZINC000865489826 1137288280 /nfs/dbraw/zinc/28/82/80/1137288280.db2.gz IXXJESXTKCYOIG-UHFFFAOYSA-N 1 2 335.245 3.759 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)c2nccn21 ZINC000865591761 1137297432 /nfs/dbraw/zinc/29/74/32/1137297432.db2.gz KXPPLWNFWFSOJU-JOYOIKCWSA-N 1 2 329.297 3.716 20 0 EHADLO Cc1c[nH+]c(C)c(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000865617739 1137298938 /nfs/dbraw/zinc/29/89/38/1137298938.db2.gz PQIKSXDIEJZZSC-GFCCVEGCSA-N 1 2 329.391 3.659 20 0 EHADLO CN(C)c1ccc(NCc2ccc(NC(=O)OC(C)(C)C)nc2)c[nH+]1 ZINC000772927416 1137299265 /nfs/dbraw/zinc/29/92/65/1137299265.db2.gz IJMPMDCVAVOFKK-UHFFFAOYSA-N 1 2 343.431 3.502 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1Br ZINC000865629178 1137300084 /nfs/dbraw/zinc/30/00/84/1137300084.db2.gz BBKYNMTULHRYBF-CQSZACIVSA-N 1 2 333.229 3.635 20 0 EHADLO Cc1nocc1C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000865677731 1137303930 /nfs/dbraw/zinc/30/39/30/1137303930.db2.gz IXCVWNSIUPGNBG-UHFFFAOYSA-N 1 2 348.809 3.619 20 0 EHADLO CCCNc1cc(N[C@H](C)c2nc(C(F)(F)F)cs2)nc[nH+]1 ZINC000865734984 1137307946 /nfs/dbraw/zinc/30/79/46/1137307946.db2.gz YTEWYPLVWUPILK-MRVPVSSYSA-N 1 2 331.367 3.947 20 0 EHADLO CCCNc1cc(N[C@H](C)c2nc(C(F)(F)F)cs2)[nH+]cn1 ZINC000865734984 1137307948 /nfs/dbraw/zinc/30/79/48/1137307948.db2.gz YTEWYPLVWUPILK-MRVPVSSYSA-N 1 2 331.367 3.947 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCC[C@H]1CC1(Cl)Cl ZINC000845747403 1137308126 /nfs/dbraw/zinc/30/81/26/1137308126.db2.gz YESIPQQOLZILFP-JTQLQIEISA-N 1 2 342.274 3.967 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(C)n1)c1cccc(Br)c1 ZINC000865823069 1137314368 /nfs/dbraw/zinc/31/43/68/1137314368.db2.gz BFFCZPOOUSIDJR-CQSZACIVSA-N 1 2 341.274 3.691 20 0 EHADLO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144659538 1137327344 /nfs/dbraw/zinc/32/73/44/1137327344.db2.gz MKCBPYAWXLKWJZ-CYBMUJFWSA-N 1 2 349.377 3.624 20 0 EHADLO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144659538 1137327345 /nfs/dbraw/zinc/32/73/45/1137327345.db2.gz MKCBPYAWXLKWJZ-CYBMUJFWSA-N 1 2 349.377 3.624 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Cc2ccc(C3CC3)cc2)CC1 ZINC001144719870 1137335121 /nfs/dbraw/zinc/33/51/21/1137335121.db2.gz DOVCYNNRJXBHIO-UHFFFAOYSA-N 1 2 349.478 3.576 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000866243827 1137338609 /nfs/dbraw/zinc/33/86/09/1137338609.db2.gz UNDQVXOVZDMKEU-IOHHAYIISA-N 1 2 331.387 3.826 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144722276 1137339069 /nfs/dbraw/zinc/33/90/69/1137339069.db2.gz SLSIREZFLVGLMC-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144722276 1137339071 /nfs/dbraw/zinc/33/90/71/1137339071.db2.gz SLSIREZFLVGLMC-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO FC1(F)CN(Cc2ccc3scnc3c2)CC[C@@H]1[NH+]1CCCC1 ZINC001144744817 1137341941 /nfs/dbraw/zinc/34/19/41/1137341941.db2.gz GKPSAHMONCDOEP-INIZCTEOSA-N 1 2 337.439 3.602 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1cccc(-n2cccn2)c1 ZINC000866276358 1137341951 /nfs/dbraw/zinc/34/19/51/1137341951.db2.gz OPXJFUAQGTUCTJ-QMIHWGKISA-N 1 2 337.398 3.995 20 0 EHADLO COc1c(F)ccc(F)c1C[NH+](CCOC(C)C)CCOC(C)C ZINC001144754830 1137343032 /nfs/dbraw/zinc/34/30/32/1137343032.db2.gz OCRSVPQFGUKHMR-UHFFFAOYSA-N 1 2 345.430 3.625 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846664672 1137361023 /nfs/dbraw/zinc/36/10/23/1137361023.db2.gz MHFIFXASVAMPRE-QAPCUYQASA-N 1 2 345.393 3.580 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000866535364 1137362610 /nfs/dbraw/zinc/36/26/10/1137362610.db2.gz CEIAHIQXOAOTEI-RRFJBIMHSA-N 1 2 336.361 3.628 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(F)cn1 ZINC000866559480 1137364489 /nfs/dbraw/zinc/36/44/89/1137364489.db2.gz HXTZNFABAGIPEW-SNVBAGLBSA-N 1 2 342.340 3.623 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCSc3c(F)cccc32)n1 ZINC000866564059 1137364831 /nfs/dbraw/zinc/36/48/31/1137364831.db2.gz VEDKGOQZKLALCE-GFCCVEGCSA-N 1 2 327.375 3.824 20 0 EHADLO COc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2cnsn2)cc1OC ZINC000846792272 1137365938 /nfs/dbraw/zinc/36/59/38/1137365938.db2.gz CQVXTPFPSDBTPV-INIZCTEOSA-N 1 2 347.484 3.543 20 0 EHADLO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2cnsn2)cc1OC ZINC000846792272 1137365939 /nfs/dbraw/zinc/36/59/39/1137365939.db2.gz CQVXTPFPSDBTPV-INIZCTEOSA-N 1 2 347.484 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000866581373 1137366662 /nfs/dbraw/zinc/36/66/62/1137366662.db2.gz GTBWWYWLTVGXEW-CRAIPNDOSA-N 1 2 343.446 3.800 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811981 1137368803 /nfs/dbraw/zinc/36/88/03/1137368803.db2.gz QUVAICNFBUZHPU-SAHAZLINSA-N 1 2 340.851 3.805 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811981 1137368805 /nfs/dbraw/zinc/36/88/05/1137368805.db2.gz QUVAICNFBUZHPU-SAHAZLINSA-N 1 2 340.851 3.805 20 0 EHADLO CN(c1ccc(Nc2ccc(F)c(C(N)=O)c2)c[nH+]1)C1CCCCC1 ZINC001212615062 1137376869 /nfs/dbraw/zinc/37/68/69/1137376869.db2.gz FQGCZQQXHBYQBW-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO c1ccc2[nH]c([C@@H]3CCCC[N@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846967423 1137379765 /nfs/dbraw/zinc/37/97/65/1137379765.db2.gz CQYVLLWUJTUQHD-SFHVURJKSA-N 1 2 333.395 3.826 20 0 EHADLO c1ccc2[nH]c([C@@H]3CCCC[N@@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846967423 1137379767 /nfs/dbraw/zinc/37/97/67/1137379767.db2.gz CQYVLLWUJTUQHD-SFHVURJKSA-N 1 2 333.395 3.826 20 0 EHADLO Oc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000339077025 1137384271 /nfs/dbraw/zinc/38/42/71/1137384271.db2.gz YEBRQBZFNVZAMX-UHFFFAOYSA-N 1 2 349.221 3.570 20 0 EHADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001146335573 1137388680 /nfs/dbraw/zinc/38/86/80/1137388680.db2.gz KRTDPAUZEKHAEV-LBPRGKRZSA-N 1 2 339.361 3.889 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CSc2ccccc21 ZINC001147472477 1137407093 /nfs/dbraw/zinc/40/70/93/1137407093.db2.gz ZHKYHWYSGBNEFE-IAGOWNOFSA-N 1 2 349.459 3.895 20 0 EHADLO C/C(=C/c1ccc(Br)o1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000868909065 1137428242 /nfs/dbraw/zinc/42/82/42/1137428242.db2.gz AVAIGXQNMKKCDB-POHAHGRESA-N 1 2 349.228 3.774 20 0 EHADLO Cc1cc(NC(=O)c2cccc(Br)c2Cl)c(C)c[nH+]1 ZINC000543735285 1137428251 /nfs/dbraw/zinc/42/82/51/1137428251.db2.gz HNIJATOFSDOGBB-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Cc1cc(C)cc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001148593994 1137429229 /nfs/dbraw/zinc/42/92/29/1137429229.db2.gz HNMOPMLYCLEFDI-IBGZPJMESA-N 1 2 333.435 3.865 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148634375 1137430249 /nfs/dbraw/zinc/43/02/49/1137430249.db2.gz RYFLLTSBOUWVKT-SFHVURJKSA-N 1 2 348.437 3.511 20 0 EHADLO COCCCn1nccc1C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000282710867 1137440280 /nfs/dbraw/zinc/44/02/80/1137440280.db2.gz BDHVLFSGSIBHQM-HNAYVOBHSA-N 1 2 343.471 3.801 20 0 EHADLO COCCCn1nccc1C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000282710867 1137440281 /nfs/dbraw/zinc/44/02/81/1137440281.db2.gz BDHVLFSGSIBHQM-HNAYVOBHSA-N 1 2 343.471 3.801 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000348136729 1137445382 /nfs/dbraw/zinc/44/53/82/1137445382.db2.gz BJSBNILVDVEHGQ-CYBMUJFWSA-N 1 2 347.459 3.564 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1 ZINC000348195526 1137449452 /nfs/dbraw/zinc/44/94/52/1137449452.db2.gz XWJBBMQAHVWJMO-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccccc1 ZINC000348195526 1137449453 /nfs/dbraw/zinc/44/94/53/1137449453.db2.gz XWJBBMQAHVWJMO-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO O=C(Nc1ccsc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282824017 1137453365 /nfs/dbraw/zinc/45/33/65/1137453365.db2.gz UISYMFFLWXARSK-CYBMUJFWSA-N 1 2 330.457 3.692 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2csc(-c3ccoc3)n2)c(C)[nH+]1 ZINC000348198730 1137454161 /nfs/dbraw/zinc/45/41/61/1137454161.db2.gz MBWNKHKRYDWDBB-UHFFFAOYSA-N 1 2 327.409 3.905 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000348203303 1137454478 /nfs/dbraw/zinc/45/44/78/1137454478.db2.gz PDSWLNWBQCRCHF-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO Cc1cn2cc(NC(=O)CCc3cnc4ccccc4c3)ccc2[nH+]1 ZINC000348204520 1137454671 /nfs/dbraw/zinc/45/46/71/1137454671.db2.gz GLQDGZXSZIICIY-UHFFFAOYSA-N 1 2 330.391 3.762 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000282825834 1137455035 /nfs/dbraw/zinc/45/50/35/1137455035.db2.gz SAEIDXPHADBKBN-NSHDSACASA-N 1 2 326.366 3.903 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cnn1-c1ccccc1 ZINC000773137564 1137468034 /nfs/dbraw/zinc/46/80/34/1137468034.db2.gz JMKMDSSQCIACBF-KGLIPLIRSA-N 1 2 338.459 3.834 20 0 EHADLO Cc1ccc(-c2ccccc2NC(=O)/C=C/C[NH+]2CCOCC2)s1 ZINC000869834269 1137468518 /nfs/dbraw/zinc/46/85/18/1137468518.db2.gz PKOMMAOKLGABMM-QPJJXVBHSA-N 1 2 342.464 3.550 20 0 EHADLO Cc1nc(C)c([C@H](C)[NH2+]Cc2ncc(Br)s2)s1 ZINC000713632039 1137470489 /nfs/dbraw/zinc/47/04/89/1137470489.db2.gz ZXULEKOVCIXZDS-LURJTMIESA-N 1 2 332.292 3.830 20 0 EHADLO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ncc(Br)s1 ZINC000714932266 1137474371 /nfs/dbraw/zinc/47/43/71/1137474371.db2.gz UNXFXPCMTBPJOS-LLVKDONJSA-N 1 2 327.222 3.822 20 0 EHADLO Cc1cc(NCc2ncc(Br)s2)nc(C(C)C)[nH+]1 ZINC000714945370 1137474505 /nfs/dbraw/zinc/47/45/05/1137474505.db2.gz XBFRUZBEBLUKCI-UHFFFAOYSA-N 1 2 327.251 3.740 20 0 EHADLO Cc1cccc2c1CC[C@@H]([N@@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001171571177 1137498546 /nfs/dbraw/zinc/49/85/46/1137498546.db2.gz UDMVATGLDJQBRO-CQSZACIVSA-N 1 2 335.373 3.583 20 0 EHADLO Cc1cccc2c1CC[C@@H]([N@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001171571177 1137498548 /nfs/dbraw/zinc/49/85/48/1137498548.db2.gz UDMVATGLDJQBRO-CQSZACIVSA-N 1 2 335.373 3.583 20 0 EHADLO C[N@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171617540 1137500865 /nfs/dbraw/zinc/50/08/65/1137500865.db2.gz NAXFWEGFEWPKJX-STQMWFEESA-N 1 2 334.451 3.998 20 0 EHADLO C[N@@H+](CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171617540 1137500867 /nfs/dbraw/zinc/50/08/67/1137500867.db2.gz NAXFWEGFEWPKJX-STQMWFEESA-N 1 2 334.451 3.998 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171665879 1137502589 /nfs/dbraw/zinc/50/25/89/1137502589.db2.gz JIKDWLVVUCJKQK-OXJNMPFZSA-N 1 2 343.442 3.829 20 0 EHADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809793 1137514361 /nfs/dbraw/zinc/51/43/61/1137514361.db2.gz JKMIUYQVXJXAKO-SUMWQHHRSA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001171809793 1137514362 /nfs/dbraw/zinc/51/43/62/1137514362.db2.gz JKMIUYQVXJXAKO-SUMWQHHRSA-N 1 2 344.480 3.756 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172317348 1137546550 /nfs/dbraw/zinc/54/65/50/1137546550.db2.gz QCSPACVQOLAXEO-ZQIUZPCESA-N 1 2 341.879 3.607 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2nccs2)CC1 ZINC000871739578 1137557032 /nfs/dbraw/zinc/55/70/32/1137557032.db2.gz JRIUVEYNDDHPHN-OAHLLOKOSA-N 1 2 348.447 3.583 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000871937285 1137563458 /nfs/dbraw/zinc/56/34/58/1137563458.db2.gz UDQJZVVPJNFSLK-NWDGAFQWSA-N 1 2 331.370 3.942 20 0 EHADLO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1F ZINC000872025236 1137565807 /nfs/dbraw/zinc/56/58/07/1137565807.db2.gz IUSNFIMXZCBAJT-PBHICJAKSA-N 1 2 342.414 3.546 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)cc2)CCO1 ZINC000872060650 1137568938 /nfs/dbraw/zinc/56/89/38/1137568938.db2.gz RWUPTFDLHWEMAR-AYBZRNKSSA-N 1 2 332.488 3.917 20 0 EHADLO O=c1[nH]c2cc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)ccc2o1 ZINC000872123429 1137572816 /nfs/dbraw/zinc/57/28/16/1137572816.db2.gz PNAXEPASYBJFTF-AWEZNQCLSA-N 1 2 332.350 3.890 20 0 EHADLO CCC[C@@H](OC)c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182368 1137575595 /nfs/dbraw/zinc/57/55/95/1137575595.db2.gz KISGOISQQRNSFQ-VXGBXAGGSA-N 1 2 329.322 3.624 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CN2C[C@H](C3CCCCC3)CC2=O)on1 ZINC000872560319 1137581454 /nfs/dbraw/zinc/58/14/54/1137581454.db2.gz KACSWMBBRYWHNS-IAGOWNOFSA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CN2C[C@H](C3CCCCC3)CC2=O)on1 ZINC000872560319 1137581455 /nfs/dbraw/zinc/58/14/55/1137581455.db2.gz KACSWMBBRYWHNS-IAGOWNOFSA-N 1 2 331.460 3.506 20 0 EHADLO Cc1nc(C[NH2+]Cc2c(C)ccc(Br)c2F)cs1 ZINC000873016363 1137588142 /nfs/dbraw/zinc/58/81/42/1137588142.db2.gz IEZSLUUCIVUALU-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+]Cc1nccn1C(F)F ZINC000873027187 1137588396 /nfs/dbraw/zinc/58/83/96/1137588396.db2.gz NGZBHBRCDQOIQK-UHFFFAOYSA-N 1 2 348.166 3.778 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2cccc(OC(C)(C)C)c2)c[nH+]1 ZINC000873036802 1137588617 /nfs/dbraw/zinc/58/86/17/1137588617.db2.gz BNNWEPKIUCGLAQ-UHFFFAOYSA-N 1 2 341.455 3.875 20 0 EHADLO Cc1sc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1Br ZINC000873131298 1137590950 /nfs/dbraw/zinc/59/09/50/1137590950.db2.gz RUWWWFIQEYCORX-UHFFFAOYSA-N 1 2 343.294 3.524 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000873187408 1137593312 /nfs/dbraw/zinc/59/33/12/1137593312.db2.gz RGBBWASSIGZKLN-NSHDSACASA-N 1 2 349.360 3.541 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578630 1137603390 /nfs/dbraw/zinc/60/33/90/1137603390.db2.gz RWXBBVIPWSROSQ-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578630 1137603391 /nfs/dbraw/zinc/60/33/91/1137603391.db2.gz RWXBBVIPWSROSQ-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO COc1cc(Cl)c(F)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000888627169 1137604682 /nfs/dbraw/zinc/60/46/82/1137604682.db2.gz WTCIRTKSKWUBGW-CQSZACIVSA-N 1 2 339.798 3.910 20 0 EHADLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000125152299 1137622344 /nfs/dbraw/zinc/62/23/44/1137622344.db2.gz KMXXVYHJQMEORA-UHFFFAOYSA-N 1 2 337.398 3.605 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000875905595 1137640560 /nfs/dbraw/zinc/64/05/60/1137640560.db2.gz ZSWALRDGRHJBIU-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000875905595 1137640561 /nfs/dbraw/zinc/64/05/61/1137640561.db2.gz ZSWALRDGRHJBIU-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C1CC1 ZINC000876208722 1137646133 /nfs/dbraw/zinc/64/61/33/1137646133.db2.gz UKWFDKYQEFJBBK-KSSFIOAISA-N 1 2 339.439 3.701 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C1CC1 ZINC000876208722 1137646134 /nfs/dbraw/zinc/64/61/34/1137646134.db2.gz UKWFDKYQEFJBBK-KSSFIOAISA-N 1 2 339.439 3.701 20 0 EHADLO C[C@@H](CC(=O)Nc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1)n1cc[nH+]c1 ZINC000876335778 1137649071 /nfs/dbraw/zinc/64/90/71/1137649071.db2.gz NNJSNHWQBAQEJU-HLLBOEOZSA-N 1 2 349.438 3.782 20 0 EHADLO CCOP(=O)(CCC[N@@H+]1CCCC[C@H]1c1noc(C)n1)OCC ZINC000876627001 1137657658 /nfs/dbraw/zinc/65/76/58/1137657658.db2.gz APGQHSXQEPFZBS-AWEZNQCLSA-N 1 2 345.380 3.561 20 0 EHADLO CCOP(=O)(CCC[N@H+]1CCCC[C@H]1c1noc(C)n1)OCC ZINC000876627001 1137657659 /nfs/dbraw/zinc/65/76/59/1137657659.db2.gz APGQHSXQEPFZBS-AWEZNQCLSA-N 1 2 345.380 3.561 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(Cl)cs1)O[C@@H](C)C2 ZINC000876898946 1137664795 /nfs/dbraw/zinc/66/47/95/1137664795.db2.gz QRWLMZWIVXHOBP-JTQLQIEISA-N 1 2 338.860 3.808 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ncc(Cl)s2)CC1 ZINC001137114727 1137665489 /nfs/dbraw/zinc/66/54/89/1137665489.db2.gz WEYROIRZNMGBDL-GFCCVEGCSA-N 1 2 339.867 3.814 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877084967 1137669934 /nfs/dbraw/zinc/66/99/34/1137669934.db2.gz PJNASFDDEGLYPO-UHFFFAOYSA-N 1 2 334.775 3.696 20 0 EHADLO COc1cc(NCc2[nH+]cc(C)c(OC)c2C)c(OC)c(C)c1OC ZINC000877493542 1137678376 /nfs/dbraw/zinc/67/83/76/1137678376.db2.gz LSTHXKKQQHHMNJ-UHFFFAOYSA-N 1 2 346.427 3.653 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000877497570 1137678725 /nfs/dbraw/zinc/67/87/25/1137678725.db2.gz UARCCIYXANDPCP-OAHLLOKOSA-N 1 2 330.819 3.942 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000877497570 1137678726 /nfs/dbraw/zinc/67/87/26/1137678726.db2.gz UARCCIYXANDPCP-OAHLLOKOSA-N 1 2 330.819 3.942 20 0 EHADLO Clc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)nn1 ZINC000877640292 1137683871 /nfs/dbraw/zinc/68/38/71/1137683871.db2.gz XBGUPJKTKVBLRV-UHFFFAOYSA-N 1 2 327.815 3.570 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000877698968 1137686285 /nfs/dbraw/zinc/68/62/85/1137686285.db2.gz SSTGKIJGYDEPKA-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000877805954 1137690382 /nfs/dbraw/zinc/69/03/82/1137690382.db2.gz AUBCZCFIFSPLFI-UHFFFAOYSA-N 1 2 331.725 3.909 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)CCO1 ZINC000877821165 1137691603 /nfs/dbraw/zinc/69/16/03/1137691603.db2.gz LGJDBJNIRYUVNO-LBPRGKRZSA-N 1 2 334.725 3.634 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)CCO1 ZINC000877821165 1137691604 /nfs/dbraw/zinc/69/16/04/1137691604.db2.gz LGJDBJNIRYUVNO-LBPRGKRZSA-N 1 2 334.725 3.634 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCC(C)(C)O1 ZINC000877943806 1137696698 /nfs/dbraw/zinc/69/66/98/1137696698.db2.gz BVKSPCPMKYUVIH-AWEZNQCLSA-N 1 2 329.444 3.505 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCC(C)(C)O1 ZINC000877943806 1137696699 /nfs/dbraw/zinc/69/66/99/1137696699.db2.gz BVKSPCPMKYUVIH-AWEZNQCLSA-N 1 2 329.444 3.505 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CCCS(=O)(=O)C(C)(C)C)s1 ZINC000878130233 1137703673 /nfs/dbraw/zinc/70/36/73/1137703673.db2.gz FWJLWQBFFHVNHV-ZDUSSCGKSA-N 1 2 346.562 3.610 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C)s1 ZINC000878130233 1137703674 /nfs/dbraw/zinc/70/36/74/1137703674.db2.gz FWJLWQBFFHVNHV-ZDUSSCGKSA-N 1 2 346.562 3.610 20 0 EHADLO Cc1nc(C2([NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)CCCC2)no1 ZINC000878146980 1137704434 /nfs/dbraw/zinc/70/44/34/1137704434.db2.gz WDBCGHCLBBIVGR-SJORKVTESA-N 1 2 327.428 3.657 20 0 EHADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000878255845 1137708869 /nfs/dbraw/zinc/70/88/69/1137708869.db2.gz USMJNXUCTKKBJB-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000878255845 1137708870 /nfs/dbraw/zinc/70/88/70/1137708870.db2.gz USMJNXUCTKKBJB-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000878268726 1137709306 /nfs/dbraw/zinc/70/93/06/1137709306.db2.gz DQGUDUYWAHJOSL-IBGZPJMESA-N 1 2 348.450 3.688 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1OC ZINC000878353602 1137712295 /nfs/dbraw/zinc/71/22/95/1137712295.db2.gz NRRCYMBWFBEKDV-OAHLLOKOSA-N 1 2 339.395 3.692 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+][C@H](c3ccccn3)C3CCC3)cs2)n1 ZINC000879035105 1137736083 /nfs/dbraw/zinc/73/60/83/1137736083.db2.gz PIQDSXFPUVNKKZ-KRWDZBQOSA-N 1 2 339.468 3.570 20 0 EHADLO Cc1cc2scc(CC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)c2s1 ZINC000879297924 1137743791 /nfs/dbraw/zinc/74/37/91/1137743791.db2.gz SLAVYLCBBWBIPJ-LBPRGKRZSA-N 1 2 345.493 3.563 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322348 1137744523 /nfs/dbraw/zinc/74/45/23/1137744523.db2.gz VLEMNAIEWCCACE-PBHICJAKSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322348 1137744524 /nfs/dbraw/zinc/74/45/24/1137744524.db2.gz VLEMNAIEWCCACE-PBHICJAKSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3Cl)CC2)n1 ZINC000879548479 1137750461 /nfs/dbraw/zinc/75/04/61/1137750461.db2.gz RZTLMFWGWFSXQE-CYBMUJFWSA-N 1 2 349.862 3.885 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558890 1137751089 /nfs/dbraw/zinc/75/10/89/1137751089.db2.gz LWSSIXNBUXXTJP-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558890 1137751088 /nfs/dbraw/zinc/75/10/88/1137751088.db2.gz LWSSIXNBUXXTJP-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH+]3CCC(C(C)(C)O)CC3)nc(=O)c2c1C ZINC000879626890 1137752644 /nfs/dbraw/zinc/75/26/44/1137752644.db2.gz QZNIERUVHZKUFZ-NSHDSACASA-N 1 2 349.500 3.558 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000879841999 1137760556 /nfs/dbraw/zinc/76/05/56/1137760556.db2.gz NTLXZYMZQFFZNV-OAHLLOKOSA-N 1 2 327.428 3.919 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000880000626 1137764277 /nfs/dbraw/zinc/76/42/77/1137764277.db2.gz XHMBXUAPQDRWCX-AWEZNQCLSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000880000626 1137764278 /nfs/dbraw/zinc/76/42/78/1137764278.db2.gz XHMBXUAPQDRWCX-AWEZNQCLSA-N 1 2 329.297 3.650 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880187734 1137770356 /nfs/dbraw/zinc/77/03/56/1137770356.db2.gz PFEXGNBANDAUKH-HOTGVXAUSA-N 1 2 333.357 3.564 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880187734 1137770357 /nfs/dbraw/zinc/77/03/57/1137770357.db2.gz PFEXGNBANDAUKH-HOTGVXAUSA-N 1 2 333.357 3.564 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC000880231989 1137771653 /nfs/dbraw/zinc/77/16/53/1137771653.db2.gz CSHWUNREPIGEHG-KGLIPLIRSA-N 1 2 326.843 3.965 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC000880231989 1137771654 /nfs/dbraw/zinc/77/16/54/1137771654.db2.gz CSHWUNREPIGEHG-KGLIPLIRSA-N 1 2 326.843 3.965 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CF)C2)cs1)c1ccccc1 ZINC000880297337 1137773870 /nfs/dbraw/zinc/77/38/70/1137773870.db2.gz MTLJAVYOMPIUIW-CQSZACIVSA-N 1 2 333.432 3.619 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](CF)C2)cs1)c1ccccc1 ZINC000880297337 1137773871 /nfs/dbraw/zinc/77/38/71/1137773871.db2.gz MTLJAVYOMPIUIW-CQSZACIVSA-N 1 2 333.432 3.619 20 0 EHADLO Cc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1Br ZINC000880366754 1137776359 /nfs/dbraw/zinc/77/63/59/1137776359.db2.gz TZLGYULXVRZAKY-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1cncc(F)c1)CC2 ZINC000880393254 1137777760 /nfs/dbraw/zinc/77/77/60/1137777760.db2.gz LIFCZXHJBKFFEN-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1cncc(F)c1)CC2 ZINC000880393254 1137777761 /nfs/dbraw/zinc/77/77/61/1137777761.db2.gz LIFCZXHJBKFFEN-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880549396 1137781127 /nfs/dbraw/zinc/78/11/27/1137781127.db2.gz WTXDNYQMLQVWRG-UHFFFAOYSA-N 1 2 334.218 3.514 20 0 EHADLO CC(F)(F)c1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000880717023 1137786126 /nfs/dbraw/zinc/78/61/26/1137786126.db2.gz YDKZXKKKXWEQBV-UHFFFAOYSA-N 1 2 338.333 3.566 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CCc2ccccc21 ZINC000626133298 1137788729 /nfs/dbraw/zinc/78/87/29/1137788729.db2.gz KVPSGIBFUJWCMR-GUYCJALGSA-N 1 2 343.496 3.940 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CCc2ccccc21 ZINC000626133298 1137788730 /nfs/dbraw/zinc/78/87/30/1137788730.db2.gz KVPSGIBFUJWCMR-GUYCJALGSA-N 1 2 343.496 3.940 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N(CC1CC1)c1ccccc1 ZINC001137171544 1137818091 /nfs/dbraw/zinc/81/80/91/1137818091.db2.gz RJPKIJUPDQUWHY-UHFFFAOYSA-N 1 2 331.419 3.858 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000882034439 1137819478 /nfs/dbraw/zinc/81/94/78/1137819478.db2.gz RIHQNKREZANDHD-UWJYYQICSA-N 1 2 339.483 3.992 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000882034439 1137819479 /nfs/dbraw/zinc/81/94/79/1137819479.db2.gz RIHQNKREZANDHD-UWJYYQICSA-N 1 2 339.483 3.992 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904648 1137820977 /nfs/dbraw/zinc/82/09/77/1137820977.db2.gz OLTFTBZXRVREMJ-MSOLQXFVSA-N 1 2 325.456 3.585 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882574756 1137829897 /nfs/dbraw/zinc/82/98/97/1137829897.db2.gz LAAVSQIEXGVAJV-YRGRVCCFSA-N 1 2 341.308 3.735 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c(OC[C@H]2CCOC2)c1 ZINC000883036484 1137842292 /nfs/dbraw/zinc/84/22/92/1137842292.db2.gz NIXHEXFKTGUCOY-INIZCTEOSA-N 1 2 343.471 3.547 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccnc(-c3ccccn3)n2)cs1 ZINC000883294061 1137853304 /nfs/dbraw/zinc/85/33/04/1137853304.db2.gz OEMPQDLAAQIGMW-ZDUSSCGKSA-N 1 2 339.468 3.969 20 0 EHADLO CCc1ccc(C(C)(C)NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001137187777 1137855928 /nfs/dbraw/zinc/85/59/28/1137855928.db2.gz HUYNQZAYQXAISX-UHFFFAOYSA-N 1 2 349.434 3.805 20 0 EHADLO CSCc1cnc(CN[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397343 1137859612 /nfs/dbraw/zinc/85/96/12/1137859612.db2.gz KAWMBRJBEKKEJA-MRXNPFEDSA-N 1 2 344.509 3.734 20 0 EHADLO C[C@]1(c2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000883525523 1137862697 /nfs/dbraw/zinc/86/26/97/1137862697.db2.gz HPJOUMIORKXMPG-HXUWFJFHSA-N 1 2 334.423 3.555 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132711427 1137868671 /nfs/dbraw/zinc/86/86/71/1137868671.db2.gz ITKXRCNGPPENKC-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132711427 1137868672 /nfs/dbraw/zinc/86/86/72/1137868672.db2.gz ITKXRCNGPPENKC-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865820 1137871848 /nfs/dbraw/zinc/87/18/48/1137871848.db2.gz ZTPBXDISMQUGDK-UHFFFAOYSA-N 1 2 347.846 3.801 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000103298179 1137875880 /nfs/dbraw/zinc/87/58/80/1137875880.db2.gz GZQKTOKGFZWPDM-CYBMUJFWSA-N 1 2 332.835 3.644 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000103494619 1137876535 /nfs/dbraw/zinc/87/65/35/1137876535.db2.gz IMBWDYHRONWPMO-IRXDYDNUSA-N 1 2 325.456 3.530 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)nc(N)c2c1C ZINC000348249998 1137878698 /nfs/dbraw/zinc/87/86/98/1137878698.db2.gz XYLDOVWATKVQLL-WCBMZHEXSA-N 1 2 344.406 3.663 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)nc(N)c2c1C ZINC000348249998 1137878699 /nfs/dbraw/zinc/87/86/99/1137878699.db2.gz XYLDOVWATKVQLL-WCBMZHEXSA-N 1 2 344.406 3.663 20 0 EHADLO O=C(CCc1ccsc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179330 1137885785 /nfs/dbraw/zinc/88/57/85/1137885785.db2.gz XNLYJYSOVMDNCR-UHFFFAOYSA-N 1 2 343.496 3.773 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000883983631 1137887173 /nfs/dbraw/zinc/88/71/73/1137887173.db2.gz FSNOZFHZOAFAQJ-ZDUSSCGKSA-N 1 2 349.356 3.662 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348267670 1137889672 /nfs/dbraw/zinc/88/96/72/1137889672.db2.gz BWUOZTOQZQGMCD-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348267670 1137889673 /nfs/dbraw/zinc/88/96/73/1137889673.db2.gz BWUOZTOQZQGMCD-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCN2c3ccccc3C[C@H]2C)c(C)[nH+]1 ZINC000331371521 1137891532 /nfs/dbraw/zinc/89/15/32/1137891532.db2.gz DRGJBKVHESXSCP-OAHLLOKOSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272722 1137891755 /nfs/dbraw/zinc/89/17/55/1137891755.db2.gz ZFMVWBDSYCFYHB-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272722 1137891756 /nfs/dbraw/zinc/89/17/56/1137891756.db2.gz ZFMVWBDSYCFYHB-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)oc1C ZINC000282872190 1137891911 /nfs/dbraw/zinc/89/19/11/1137891911.db2.gz VFRPMZYTAODHFC-CHWSQXEVSA-N 1 2 325.416 3.797 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C)n1C1CC1 ZINC000348287765 1137900372 /nfs/dbraw/zinc/90/03/72/1137900372.db2.gz WBHDRXDTHDLLIB-DOMZBBRYSA-N 1 2 328.378 3.895 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C)n1C1CC1 ZINC000348287765 1137900373 /nfs/dbraw/zinc/90/03/73/1137900373.db2.gz WBHDRXDTHDLLIB-DOMZBBRYSA-N 1 2 328.378 3.895 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cs1 ZINC000111375863 1137904444 /nfs/dbraw/zinc/90/44/44/1137904444.db2.gz UXHRZPMKAHNWDJ-MELADBBJSA-N 1 2 343.496 3.722 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cs1 ZINC000111376593 1137904462 /nfs/dbraw/zinc/90/44/62/1137904462.db2.gz STVMVQUIDFYMFL-LLVKDONJSA-N 1 2 344.436 3.677 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cs1 ZINC000111376595 1137904521 /nfs/dbraw/zinc/90/45/21/1137904521.db2.gz STVMVQUIDFYMFL-NSHDSACASA-N 1 2 344.436 3.677 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)c(C)[nH+]1 ZINC000331475756 1137909715 /nfs/dbraw/zinc/90/97/15/1137909715.db2.gz FTWCYCGJKIEVSD-KRWDZBQOSA-N 1 2 338.455 3.797 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000112996922 1137911209 /nfs/dbraw/zinc/91/12/09/1137911209.db2.gz NLPVOMMCDHBGBJ-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000112996922 1137911210 /nfs/dbraw/zinc/91/12/10/1137911210.db2.gz NLPVOMMCDHBGBJ-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670836 1137916517 /nfs/dbraw/zinc/91/65/17/1137916517.db2.gz OGUQACZGRBELDG-JSGCOSHPSA-N 1 2 334.851 3.619 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670836 1137916518 /nfs/dbraw/zinc/91/65/18/1137916518.db2.gz OGUQACZGRBELDG-JSGCOSHPSA-N 1 2 334.851 3.619 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114805865 1137918960 /nfs/dbraw/zinc/91/89/60/1137918960.db2.gz WYSLWBMLEQFHNQ-INIZCTEOSA-N 1 2 338.455 3.555 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](C)Cc1ccccc1SC ZINC000348306938 1137926866 /nfs/dbraw/zinc/92/68/66/1137926866.db2.gz NCHOBOWNWSEOLP-UHFFFAOYSA-N 1 2 333.428 3.966 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](C)Cc1ccccc1SC ZINC000348306938 1137926867 /nfs/dbraw/zinc/92/68/67/1137926867.db2.gz NCHOBOWNWSEOLP-UHFFFAOYSA-N 1 2 333.428 3.966 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2CCOc3c(F)cccc32)c(C)[nH+]1 ZINC000332147664 1137933431 /nfs/dbraw/zinc/93/34/31/1137933431.db2.gz MCRPTLKQOSVERJ-HNNXBMFYSA-N 1 2 329.375 3.791 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000348311435 1137934178 /nfs/dbraw/zinc/93/41/78/1137934178.db2.gz CFGUIXNEVQMEAV-WDEREUQCSA-N 1 2 331.807 3.535 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000332224749 1137936432 /nfs/dbraw/zinc/93/64/32/1137936432.db2.gz WWPNJSMSWZSLLF-BLLLJJGKSA-N 1 2 348.397 3.728 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(Cl)c3)C2)n[nH]1 ZINC000332247657 1137937039 /nfs/dbraw/zinc/93/70/39/1137937039.db2.gz BQIBTQWHZDGTSU-HNNXBMFYSA-N 1 2 348.878 3.933 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(OC(C)C)c(Cl)c3)C2)n[nH]1 ZINC000332247657 1137937040 /nfs/dbraw/zinc/93/70/40/1137937040.db2.gz BQIBTQWHZDGTSU-HNNXBMFYSA-N 1 2 348.878 3.933 20 0 EHADLO CCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1CC ZINC000332356116 1137941236 /nfs/dbraw/zinc/94/12/36/1137941236.db2.gz ZNPGFXWPYZKQJE-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2ccoc2C(=O)OC)cc1OCC ZINC000120095134 1137946502 /nfs/dbraw/zinc/94/65/02/1137946502.db2.gz JJFQGOXGEDSNGN-ZDUSSCGKSA-N 1 2 347.411 3.714 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120314546 1137948547 /nfs/dbraw/zinc/94/85/47/1137948547.db2.gz YZAFPUDHZXHNOI-LJQANCHMSA-N 1 2 325.456 3.562 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120370540 1137949061 /nfs/dbraw/zinc/94/90/61/1137949061.db2.gz BXTVDZWQZUGTMH-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001137208361 1137950544 /nfs/dbraw/zinc/95/05/44/1137950544.db2.gz ZYFSPJCOWPKNKN-FQEVSTJZSA-N 1 2 348.446 3.687 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001137208361 1137950545 /nfs/dbraw/zinc/95/05/45/1137950545.db2.gz ZYFSPJCOWPKNKN-FQEVSTJZSA-N 1 2 348.446 3.687 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120812303 1137952521 /nfs/dbraw/zinc/95/25/21/1137952521.db2.gz NFFSWZDHOCGXCF-XJKSGUPXSA-N 1 2 332.835 3.960 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943569 1137953836 /nfs/dbraw/zinc/95/38/36/1137953836.db2.gz GWKVFOYACGUVJY-UONOGXRCSA-N 1 2 333.457 3.578 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccsc3)n2)C12CCC2 ZINC000120943569 1137953837 /nfs/dbraw/zinc/95/38/37/1137953837.db2.gz GWKVFOYACGUVJY-UONOGXRCSA-N 1 2 333.457 3.578 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cn2cccnc2n1 ZINC000120972236 1137954060 /nfs/dbraw/zinc/95/40/60/1137954060.db2.gz BHYAXBADILUJGR-ZDUSSCGKSA-N 1 2 329.473 3.811 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cn2cccnc2n1 ZINC000120972236 1137954061 /nfs/dbraw/zinc/95/40/61/1137954061.db2.gz BHYAXBADILUJGR-ZDUSSCGKSA-N 1 2 329.473 3.811 20 0 EHADLO O=C(c1cnc(-c2ccsc2)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333053852 1137954094 /nfs/dbraw/zinc/95/40/94/1137954094.db2.gz QXYKGKULYNPCRA-UHFFFAOYSA-N 1 2 344.465 3.615 20 0 EHADLO O=C(c1cnc(-c2ccsc2)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333053852 1137954095 /nfs/dbraw/zinc/95/40/95/1137954095.db2.gz QXYKGKULYNPCRA-UHFFFAOYSA-N 1 2 344.465 3.615 20 0 EHADLO CC(C)c1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1C(C)(C)C ZINC000333092664 1137955065 /nfs/dbraw/zinc/95/50/65/1137955065.db2.gz ZTXOPBOSGHTWLV-UHFFFAOYSA-N 1 2 343.475 3.504 20 0 EHADLO CC(C)c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1C(C)(C)C ZINC000333092664 1137955066 /nfs/dbraw/zinc/95/50/66/1137955066.db2.gz ZTXOPBOSGHTWLV-UHFFFAOYSA-N 1 2 343.475 3.504 20 0 EHADLO Cn1c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)nc2ccccc2c1=O ZINC000121275332 1137956475 /nfs/dbraw/zinc/95/64/75/1137956475.db2.gz XEXXUPYMRYCBSY-QGZVFWFLSA-N 1 2 337.423 3.644 20 0 EHADLO Cn1c(C[N@H+]2CCCCC[C@@H]2c2ccco2)nc2ccccc2c1=O ZINC000121275332 1137956476 /nfs/dbraw/zinc/95/64/76/1137956476.db2.gz XEXXUPYMRYCBSY-QGZVFWFLSA-N 1 2 337.423 3.644 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000333168833 1137957110 /nfs/dbraw/zinc/95/71/10/1137957110.db2.gz IXDPODCZVZLIMW-WBVHZDCISA-N 1 2 329.444 3.572 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@]1(C)CCOC2(CCC2)C1 ZINC000884702906 1137969342 /nfs/dbraw/zinc/96/93/42/1137969342.db2.gz NGXMWWIBYPCMHL-GOSISDBHSA-N 1 2 343.475 3.733 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC2(CCC2)CC1 ZINC000890248530 1138023127 /nfs/dbraw/zinc/02/31/27/1138023127.db2.gz PDKPRCMKRRPCRG-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO COc1cccc(COc2ccc(C[NH2+]Cc3cc(C)on3)cc2)c1 ZINC000885941866 1138026883 /nfs/dbraw/zinc/02/68/83/1138026883.db2.gz HDEKIBICGNPYQC-UHFFFAOYSA-N 1 2 338.407 3.860 20 0 EHADLO c1coc(-c2noc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)n2)c1 ZINC000053232223 1138046418 /nfs/dbraw/zinc/04/64/18/1138046418.db2.gz CCCVMCSTPNKXSW-MRXNPFEDSA-N 1 2 339.395 3.511 20 0 EHADLO c1coc(-c2noc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)n2)c1 ZINC000053232223 1138046421 /nfs/dbraw/zinc/04/64/21/1138046421.db2.gz CCCVMCSTPNKXSW-MRXNPFEDSA-N 1 2 339.395 3.511 20 0 EHADLO Cc1coc(C[NH2+][C@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC000886173536 1138055602 /nfs/dbraw/zinc/05/56/02/1138055602.db2.gz RQTGBZMFAQAJJF-MRXNPFEDSA-N 1 2 326.362 3.999 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OCc2cccnc2)onc1C1CC1 ZINC000886272137 1138063360 /nfs/dbraw/zinc/06/33/60/1138063360.db2.gz IDUFAUQPLOYJQT-UHFFFAOYSA-N 1 2 335.407 3.816 20 0 EHADLO Cc1cc(C)c2cc(NCc3cnc(C4OCCO4)s3)ccc2[nH+]1 ZINC000886369806 1138071652 /nfs/dbraw/zinc/07/16/52/1138071652.db2.gz QBRIZZMSJUGWME-UHFFFAOYSA-N 1 2 341.436 3.966 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000886432212 1138075964 /nfs/dbraw/zinc/07/59/64/1138075964.db2.gz RJEIDSZTIOWVSA-SFHVURJKSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000886432212 1138075965 /nfs/dbraw/zinc/07/59/65/1138075965.db2.gz RJEIDSZTIOWVSA-SFHVURJKSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000886431667 1138076117 /nfs/dbraw/zinc/07/61/17/1138076117.db2.gz DBFMSDLHVAENOH-KRWDZBQOSA-N 1 2 345.393 3.905 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000886431667 1138076118 /nfs/dbraw/zinc/07/61/18/1138076118.db2.gz DBFMSDLHVAENOH-KRWDZBQOSA-N 1 2 345.393 3.905 20 0 EHADLO CC[C@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C)c1nccs1 ZINC000072684342 1138107308 /nfs/dbraw/zinc/10/73/08/1138107308.db2.gz VYBCWYBEOUOQND-INIZCTEOSA-N 1 2 337.514 3.983 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000886721757 1138125562 /nfs/dbraw/zinc/12/55/62/1138125562.db2.gz JXXIBWCAVMKTEN-UHFFFAOYSA-N 1 2 334.441 3.567 20 0 EHADLO C[C@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000089247932 1138196038 /nfs/dbraw/zinc/19/60/38/1138196038.db2.gz UDMKVPFUMJKWSP-LSDHHAIUSA-N 1 2 333.863 3.558 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](c3cccs3)C2)cc1C ZINC000091592305 1138219965 /nfs/dbraw/zinc/21/99/65/1138219965.db2.gz UTSQYRGERHTRCZ-OCCSQVGLSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](c3cccs3)C2)cc1C ZINC000091592305 1138219968 /nfs/dbraw/zinc/21/99/68/1138219968.db2.gz UTSQYRGERHTRCZ-OCCSQVGLSA-N 1 2 335.425 3.571 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cs1 ZINC000091723622 1138221055 /nfs/dbraw/zinc/22/10/55/1138221055.db2.gz FIHUQPLLRPYQQZ-NEPJUHHUSA-N 1 2 329.473 3.777 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091704287 1138221139 /nfs/dbraw/zinc/22/11/39/1138221139.db2.gz IQPKJKMUASUHOK-YOEHRIQHSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091704287 1138221140 /nfs/dbraw/zinc/22/11/40/1138221140.db2.gz IQPKJKMUASUHOK-YOEHRIQHSA-N 1 2 345.874 3.995 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093222078 1138235306 /nfs/dbraw/zinc/23/53/06/1138235306.db2.gz CKGULLBPKDJLSW-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093222078 1138235308 /nfs/dbraw/zinc/23/53/08/1138235308.db2.gz CKGULLBPKDJLSW-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000093311059 1138235829 /nfs/dbraw/zinc/23/58/29/1138235829.db2.gz TYHZCEVMFKBROM-IBGZPJMESA-N 1 2 349.478 3.705 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000093311059 1138235831 /nfs/dbraw/zinc/23/58/31/1138235831.db2.gz TYHZCEVMFKBROM-IBGZPJMESA-N 1 2 349.478 3.705 20 0 EHADLO Cc1oc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)nc1C1CC1 ZINC000887241634 1138245798 /nfs/dbraw/zinc/24/57/98/1138245798.db2.gz ZKLKFEKLKVBGTR-HNNXBMFYSA-N 1 2 336.395 3.744 20 0 EHADLO Cc1oc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)nc1C1CC1 ZINC000887241635 1138245986 /nfs/dbraw/zinc/24/59/86/1138245986.db2.gz ZKLKFEKLKVBGTR-OAHLLOKOSA-N 1 2 336.395 3.744 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000123311027 1138269038 /nfs/dbraw/zinc/26/90/38/1138269038.db2.gz ILORAZMSJYYBRG-LIRRHRJNSA-N 1 2 336.439 3.705 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)occ1O ZINC000123998587 1138277233 /nfs/dbraw/zinc/27/72/33/1138277233.db2.gz QCCZVEGXSNKISG-UHFFFAOYSA-N 1 2 340.206 3.817 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)occ1O ZINC000123998587 1138277235 /nfs/dbraw/zinc/27/72/35/1138277235.db2.gz QCCZVEGXSNKISG-UHFFFAOYSA-N 1 2 340.206 3.817 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000282981542 1138279015 /nfs/dbraw/zinc/27/90/15/1138279015.db2.gz DLZGUHVZEHRVHR-MNOVXSKESA-N 1 2 330.457 3.607 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124522027 1138288445 /nfs/dbraw/zinc/28/84/45/1138288445.db2.gz BYKFQZXMSJDBLT-MAUKXSAKSA-N 1 2 341.430 3.554 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000124951337 1138297701 /nfs/dbraw/zinc/29/77/01/1138297701.db2.gz YZZVZIJJQLGKRS-SJCJKPOMSA-N 1 2 342.830 3.741 20 0 EHADLO CCCn1ccc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cc21 ZINC000125280261 1138304530 /nfs/dbraw/zinc/30/45/30/1138304530.db2.gz VWTJBJDJHOTGGS-UHFFFAOYSA-N 1 2 339.443 3.802 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125415315 1138308249 /nfs/dbraw/zinc/30/82/49/1138308249.db2.gz WWQXPGZWAWUAFL-CRAIPNDOSA-N 1 2 325.456 3.904 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)s1 ZINC000125605616 1138312777 /nfs/dbraw/zinc/31/27/77/1138312777.db2.gz VNSFUYZBMMVAHH-FRRDWIJNSA-N 1 2 337.876 3.811 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(OC(F)F)c1 ZINC000125717280 1138314871 /nfs/dbraw/zinc/31/48/71/1138314871.db2.gz LBZFULDMRYKATD-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(OC(F)F)c1 ZINC000125717280 1138314873 /nfs/dbraw/zinc/31/48/73/1138314873.db2.gz LBZFULDMRYKATD-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(CC[C@@H]3CCCC3(F)F)nn2)cc1 ZINC000887427028 1138321420 /nfs/dbraw/zinc/32/14/20/1138321420.db2.gz ZRUGJIOEZLSEOM-AWEZNQCLSA-N 1 2 338.377 3.533 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccccc1Cl ZINC000126323860 1138328717 /nfs/dbraw/zinc/32/87/17/1138328717.db2.gz AVSPOEYREXTDAZ-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000263708886 1138347032 /nfs/dbraw/zinc/34/70/32/1138347032.db2.gz UMVGGDVNAPLNCX-UHFFFAOYSA-N 1 2 337.427 3.767 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000127170771 1138348497 /nfs/dbraw/zinc/34/84/97/1138348497.db2.gz SUXWGXIXCDPQIN-ZDUSSCGKSA-N 1 2 339.468 3.794 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000127170771 1138348501 /nfs/dbraw/zinc/34/85/01/1138348501.db2.gz SUXWGXIXCDPQIN-ZDUSSCGKSA-N 1 2 339.468 3.794 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000334022902 1138362568 /nfs/dbraw/zinc/36/25/68/1138362568.db2.gz DVERPGXLRJPGQU-UHFFFAOYSA-N 1 2 344.484 3.865 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000263851807 1138380461 /nfs/dbraw/zinc/38/04/61/1138380461.db2.gz YDRHKHIRRXOWDE-UHFFFAOYSA-N 1 2 343.496 3.962 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000263932787 1138394203 /nfs/dbraw/zinc/39/42/03/1138394203.db2.gz ZXNQTGDQWVRAFI-CMPYXILNSA-N 1 2 329.831 3.873 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263936402 1138394773 /nfs/dbraw/zinc/39/47/73/1138394773.db2.gz FHECQUCKUXQGPS-HNNXBMFYSA-N 1 2 346.862 3.585 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263943690 1138395891 /nfs/dbraw/zinc/39/58/91/1138395891.db2.gz KECZATLJNKCCAE-MRXNPFEDSA-N 1 2 348.406 3.617 20 0 EHADLO Cc1ccccc1C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000263973233 1138399397 /nfs/dbraw/zinc/39/93/97/1138399397.db2.gz IDDKLFULPHAKAI-UHFFFAOYSA-N 1 2 345.446 3.701 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCC[C@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000264197696 1138440487 /nfs/dbraw/zinc/44/04/87/1138440487.db2.gz DLOAPPPCFDQTIP-IRXDYDNUSA-N 1 2 345.487 3.734 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc(F)cc2F)c1)[NH+]1CCOCC1 ZINC000264205765 1138442816 /nfs/dbraw/zinc/44/28/16/1138442816.db2.gz IGLUBWIZNIXIAK-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264288802 1138464616 /nfs/dbraw/zinc/46/46/16/1138464616.db2.gz YNJBMQMDEUQBDD-JKSUJKDBSA-N 1 2 333.476 3.588 20 0 EHADLO CCN(CCc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337114570 1138469258 /nfs/dbraw/zinc/46/92/58/1138469258.db2.gz QQTVPSWQTQFTDK-UHFFFAOYSA-N 1 2 333.435 3.636 20 0 EHADLO CC1(C)CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000887580924 1138472459 /nfs/dbraw/zinc/47/24/59/1138472459.db2.gz JQGRTTSBGLFYLV-GOSISDBHSA-N 1 2 325.456 3.706 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000130809588 1138478423 /nfs/dbraw/zinc/47/84/23/1138478423.db2.gz CAOOAUFKZKDOJO-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000337164437 1138483016 /nfs/dbraw/zinc/48/30/16/1138483016.db2.gz WVMTWIUKWAGBOA-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199862 1138493727 /nfs/dbraw/zinc/49/37/27/1138493727.db2.gz ZGMSGOISXFNOIJ-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199862 1138493730 /nfs/dbraw/zinc/49/37/30/1138493730.db2.gz ZGMSGOISXFNOIJ-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C(=C/[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205911 1138495365 /nfs/dbraw/zinc/49/53/65/1138495365.db2.gz LMNRGEQWRWEAAN-JKIKYLSZSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C/[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205911 1138495367 /nfs/dbraw/zinc/49/53/67/1138495367.db2.gz LMNRGEQWRWEAAN-JKIKYLSZSA-N 1 2 330.435 3.945 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000264390465 1138498305 /nfs/dbraw/zinc/49/83/05/1138498305.db2.gz DZOMIBRLAIRJNJ-CYBMUJFWSA-N 1 2 347.484 3.790 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000264390465 1138498306 /nfs/dbraw/zinc/49/83/06/1138498306.db2.gz DZOMIBRLAIRJNJ-CYBMUJFWSA-N 1 2 347.484 3.790 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)nc1 ZINC000337284690 1138519789 /nfs/dbraw/zinc/51/97/89/1138519789.db2.gz JOURFZAGCAQJLN-CQSZACIVSA-N 1 2 337.192 3.515 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=CCCCCC1 ZINC000131526511 1138524210 /nfs/dbraw/zinc/52/42/10/1138524210.db2.gz JSOOPAZNTZGOOI-UHFFFAOYSA-N 1 2 328.456 3.656 20 0 EHADLO O=C(Cc1csc2ccccc12)NCCCCNc1cccc[nH+]1 ZINC000264553678 1138556970 /nfs/dbraw/zinc/55/69/70/1138556970.db2.gz YBWHMYLALSIYOO-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO Cn1ccnc1C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000264563321 1138559998 /nfs/dbraw/zinc/55/99/98/1138559998.db2.gz VGVGOOAMTMDIDH-OAQYLSRUSA-N 1 2 333.435 3.624 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552139 1138588287 /nfs/dbraw/zinc/58/82/87/1138588287.db2.gz YHLAVYHHEROLHO-IAGOWNOFSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552139 1138588289 /nfs/dbraw/zinc/58/82/89/1138588289.db2.gz YHLAVYHHEROLHO-IAGOWNOFSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)c1c(Cl)cccc1Cl ZINC000337512146 1138590884 /nfs/dbraw/zinc/59/08/84/1138590884.db2.gz JPDDXLOKDVGOJJ-VIFPVBQESA-N 1 2 336.226 3.886 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264684732 1138604134 /nfs/dbraw/zinc/60/41/34/1138604134.db2.gz PKTNASDXWXWJQP-ZBFHGGJFSA-N 1 2 329.469 3.687 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C2CC2)no1 ZINC000132959110 1138613238 /nfs/dbraw/zinc/61/32/38/1138613238.db2.gz ASNYNBLFXMTBNZ-GFCCVEGCSA-N 1 2 331.416 3.547 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C2CC2)no1 ZINC000132959110 1138613241 /nfs/dbraw/zinc/61/32/41/1138613241.db2.gz ASNYNBLFXMTBNZ-GFCCVEGCSA-N 1 2 331.416 3.547 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccc2ccccc2c1 ZINC000337586999 1138614231 /nfs/dbraw/zinc/61/42/31/1138614231.db2.gz LFXXSMVREAUUKK-IIBYNOLFSA-N 1 2 345.446 3.511 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264711799 1138614320 /nfs/dbraw/zinc/61/43/20/1138614320.db2.gz JLUCOYKWXJGYLE-NSHDSACASA-N 1 2 338.333 3.840 20 0 EHADLO CCSc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000337590186 1138614730 /nfs/dbraw/zinc/61/47/30/1138614730.db2.gz MOSZXYUMRMWDCS-SFHVURJKSA-N 1 2 344.455 3.724 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786748 1138656535 /nfs/dbraw/zinc/65/65/35/1138656535.db2.gz BPZWERSKQNPJFS-QXAKKESOSA-N 1 2 345.414 3.621 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786748 1138656536 /nfs/dbraw/zinc/65/65/36/1138656536.db2.gz BPZWERSKQNPJFS-QXAKKESOSA-N 1 2 345.414 3.621 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)CCn4cc[nH+]c4)cc3)nc12 ZINC000338100798 1138750808 /nfs/dbraw/zinc/75/08/08/1138750808.db2.gz XCCLBFBOBYVVFF-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO c1csc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000135544324 1138758356 /nfs/dbraw/zinc/75/83/56/1138758356.db2.gz VXTBDPFBTDOSOM-GXTWGEPZSA-N 1 2 338.523 3.578 20 0 EHADLO c1csc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000135544324 1138758358 /nfs/dbraw/zinc/75/83/58/1138758358.db2.gz VXTBDPFBTDOSOM-GXTWGEPZSA-N 1 2 338.523 3.578 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000826584017 1138786561 /nfs/dbraw/zinc/78/65/61/1138786561.db2.gz CSTRZPVIQZBOQA-VQTJNVASSA-N 1 2 347.462 3.885 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000265269794 1138789982 /nfs/dbraw/zinc/78/99/82/1138789982.db2.gz LJOXAGNPGAFVBJ-ZDUSSCGKSA-N 1 2 329.469 3.572 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000265269794 1138789986 /nfs/dbraw/zinc/78/99/86/1138789986.db2.gz LJOXAGNPGAFVBJ-ZDUSSCGKSA-N 1 2 329.469 3.572 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000265329730 1138814226 /nfs/dbraw/zinc/81/42/26/1138814226.db2.gz TVINZESPFJYLQQ-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000265329730 1138814233 /nfs/dbraw/zinc/81/42/33/1138814233.db2.gz TVINZESPFJYLQQ-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000265359846 1138830336 /nfs/dbraw/zinc/83/03/36/1138830336.db2.gz LVPIOFXRQIJSIL-RYQLBKOJSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)c1ncncc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338369700 1138863870 /nfs/dbraw/zinc/86/38/70/1138863870.db2.gz JWTJXQHLFSEAGC-UHFFFAOYSA-N 1 2 341.802 3.691 20 0 EHADLO CCc1onc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338385694 1138879435 /nfs/dbraw/zinc/87/94/35/1138879435.db2.gz SWQGLHCNWVWCNZ-UHFFFAOYSA-N 1 2 330.775 3.637 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000338433669 1138912843 /nfs/dbraw/zinc/91/28/43/1138912843.db2.gz BXBOZRFOKVVJOJ-OAHLLOKOSA-N 1 2 345.874 3.610 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338462507 1138926684 /nfs/dbraw/zinc/92/66/84/1138926684.db2.gz QBRYORKEIMEGMO-ZBFHGGJFSA-N 1 2 344.434 3.637 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000348497818 1138952886 /nfs/dbraw/zinc/95/28/86/1138952886.db2.gz SGEUFGIUPCAZLQ-KDOFPFPSSA-N 1 2 343.496 3.678 20 0 EHADLO Cc1ccsc1CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000887932763 1138976157 /nfs/dbraw/zinc/97/61/57/1138976157.db2.gz RISURYLLDQPEJF-SHTZXODSSA-N 1 2 344.484 3.674 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000151677814 1139050938 /nfs/dbraw/zinc/05/09/38/1139050938.db2.gz SBLZKWIEAKEJDN-ZQIUZPCESA-N 1 2 346.862 3.890 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151821238 1139059303 /nfs/dbraw/zinc/05/93/03/1139059303.db2.gz TWJKGAJSYQKGSL-BHIYHBOVSA-N 1 2 340.471 3.873 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000152832666 1139110518 /nfs/dbraw/zinc/11/05/18/1139110518.db2.gz YBWUIZJQXHEBHV-OXJNMPFZSA-N 1 2 345.446 3.733 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153276404 1139129858 /nfs/dbraw/zinc/12/98/58/1139129858.db2.gz WNPHTGKFKZAUPS-OAHLLOKOSA-N 1 2 347.409 3.562 20 0 EHADLO C[C@H](c1ccco1)N(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889561607 1139235181 /nfs/dbraw/zinc/23/51/81/1139235181.db2.gz QOPCXAXLSAHRLE-BZUAXINKSA-N 1 2 342.443 3.800 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](Cc2ccccc2)CC(OC)OC)c1 ZINC001137260319 1139302860 /nfs/dbraw/zinc/30/28/60/1139302860.db2.gz MCRPHKJLJVHEIL-UHFFFAOYSA-N 1 2 349.858 3.970 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](Cc2ccccc2)CC(OC)OC)c1 ZINC001137260319 1139302868 /nfs/dbraw/zinc/30/28/68/1139302868.db2.gz MCRPHKJLJVHEIL-UHFFFAOYSA-N 1 2 349.858 3.970 20 0 EHADLO CN(CCC(C)(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890244571 1139328979 /nfs/dbraw/zinc/32/89/79/1139328979.db2.gz LKUTXAGKTOWRCL-QGZVFWFLSA-N 1 2 328.460 3.702 20 0 EHADLO CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000890250369 1139330781 /nfs/dbraw/zinc/33/07/81/1139330781.db2.gz GDAMCGLJYMAEGZ-QZTJIDSGSA-N 1 2 340.471 3.845 20 0 EHADLO O[C@@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)c1ccccc1Cl ZINC000173707600 1139372961 /nfs/dbraw/zinc/37/29/61/1139372961.db2.gz KCZYNQGQLNGOMK-HNNXBMFYSA-N 1 2 347.846 3.693 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)NCCn1cc[nH+]c1 ZINC000173879665 1139384665 /nfs/dbraw/zinc/38/46/65/1139384665.db2.gz FWUZYEYKRBJZNS-UHFFFAOYSA-N 1 2 332.473 3.655 20 0 EHADLO C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000173946633 1139388233 /nfs/dbraw/zinc/38/82/33/1139388233.db2.gz SPWUXAFKNHKRTB-INIZCTEOSA-N 1 2 348.450 3.972 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1cccnc1 ZINC000174211513 1139406784 /nfs/dbraw/zinc/40/67/84/1139406784.db2.gz ISTKBNLRXGVYKE-KBPBESRZSA-N 1 2 344.484 3.512 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1cccnc1 ZINC000174211513 1139406787 /nfs/dbraw/zinc/40/67/87/1139406787.db2.gz ISTKBNLRXGVYKE-KBPBESRZSA-N 1 2 344.484 3.512 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449722 1139421154 /nfs/dbraw/zinc/42/11/54/1139421154.db2.gz RDZICUCOBPBMRZ-DZGCQCFKSA-N 1 2 347.484 3.735 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449722 1139421155 /nfs/dbraw/zinc/42/11/55/1139421155.db2.gz RDZICUCOBPBMRZ-DZGCQCFKSA-N 1 2 347.484 3.735 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@](C)(O)c1ccccc1 ZINC000174968165 1139454013 /nfs/dbraw/zinc/45/40/13/1139454013.db2.gz GUBUTRODZZLBLZ-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@](C)(O)c1ccccc1 ZINC000174968165 1139454015 /nfs/dbraw/zinc/45/40/15/1139454015.db2.gz GUBUTRODZZLBLZ-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 ZINC000175244004 1139474787 /nfs/dbraw/zinc/47/47/87/1139474787.db2.gz RILLRFYZWQWNNP-RISCZKNCSA-N 1 2 335.860 3.561 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000177773901 1139641067 /nfs/dbraw/zinc/64/10/67/1139641067.db2.gz INGRUNRFESPWBW-GOSISDBHSA-N 1 2 349.438 3.556 20 0 EHADLO O=C(N[C@H]1CC=CCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178403505 1139692036 /nfs/dbraw/zinc/69/20/36/1139692036.db2.gz JPEZDIHFPMFEAB-QXAKKESOSA-N 1 2 336.439 3.520 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000179164018 1139740163 /nfs/dbraw/zinc/74/01/63/1139740163.db2.gz KVQWOJMZYLWVQB-KRWDZBQOSA-N 1 2 329.419 3.841 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000179164018 1139740169 /nfs/dbraw/zinc/74/01/69/1139740169.db2.gz KVQWOJMZYLWVQB-KRWDZBQOSA-N 1 2 329.419 3.841 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](c2ccccc2)C2CC2)c1C ZINC000179687958 1139774801 /nfs/dbraw/zinc/77/48/01/1139774801.db2.gz HZDGCWXQSVMOJZ-LJQANCHMSA-N 1 2 338.451 3.859 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1cc(F)ccc1F ZINC000179803722 1139784852 /nfs/dbraw/zinc/78/48/52/1139784852.db2.gz DLDJZNPDKGNJKP-HNNXBMFYSA-N 1 2 349.406 3.584 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1C ZINC000180278678 1139824197 /nfs/dbraw/zinc/82/41/97/1139824197.db2.gz SJMZZWOSALFNAN-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1C ZINC000180278678 1139824209 /nfs/dbraw/zinc/82/42/09/1139824209.db2.gz SJMZZWOSALFNAN-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO COc1ccc(Br)cc1SCCCn1cc[nH+]c1 ZINC000180437728 1139834633 /nfs/dbraw/zinc/83/46/33/1139834633.db2.gz VLUMVHGARGLPLC-UHFFFAOYSA-N 1 2 327.247 3.837 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181278500 1139896561 /nfs/dbraw/zinc/89/65/61/1139896561.db2.gz MGYBRDCEDHCCQT-HBFSDRIKSA-N 1 2 339.483 3.952 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594616 1139918108 /nfs/dbraw/zinc/91/81/08/1139918108.db2.gz AKGUMYARFAXKFV-CYBMUJFWSA-N 1 2 346.450 3.775 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc(N2CCCC2)c1 ZINC000181888177 1139938400 /nfs/dbraw/zinc/93/84/00/1139938400.db2.gz OKPOPILTAACMQQ-CQSZACIVSA-N 1 2 328.460 3.818 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2csc(-c3ccoc3)n2)cc1 ZINC000181969606 1139942403 /nfs/dbraw/zinc/94/24/03/1139942403.db2.gz DJOPILIEJIVNHP-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2csc(-c3ccoc3)n2)cc1 ZINC000181969606 1139942405 /nfs/dbraw/zinc/94/24/05/1139942405.db2.gz DJOPILIEJIVNHP-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO CCC[N@H+](Cc1nc(COC)no1)[C@H](C)c1cc2ccccc2o1 ZINC000182076913 1139949266 /nfs/dbraw/zinc/94/92/66/1139949266.db2.gz VWELPKLWWVQNPW-CYBMUJFWSA-N 1 2 329.400 3.935 20 0 EHADLO CCC[N@@H+](Cc1nc(COC)no1)[C@H](C)c1cc2ccccc2o1 ZINC000182076913 1139949268 /nfs/dbraw/zinc/94/92/68/1139949268.db2.gz VWELPKLWWVQNPW-CYBMUJFWSA-N 1 2 329.400 3.935 20 0 EHADLO COCc1noc(C[N@H+](Cc2ccccc2F)C2CCCCC2)n1 ZINC000182230557 1139959038 /nfs/dbraw/zinc/95/90/38/1139959038.db2.gz NPTGGUFMYBIRDY-UHFFFAOYSA-N 1 2 333.407 3.690 20 0 EHADLO COCc1noc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)n1 ZINC000182230557 1139959041 /nfs/dbraw/zinc/95/90/41/1139959041.db2.gz NPTGGUFMYBIRDY-UHFFFAOYSA-N 1 2 333.407 3.690 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)C1CCCC1 ZINC000182404479 1139970118 /nfs/dbraw/zinc/97/01/18/1139970118.db2.gz ZCEDCMDGFQHFAU-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)C1CCCC1 ZINC000182404479 1139970120 /nfs/dbraw/zinc/97/01/20/1139970120.db2.gz ZCEDCMDGFQHFAU-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000183122406 1140014506 /nfs/dbraw/zinc/01/45/06/1140014506.db2.gz VEZKERVQTMBRCV-HRAATJIYSA-N 1 2 325.836 3.689 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000183112176 1140014655 /nfs/dbraw/zinc/01/46/55/1140014655.db2.gz HWVBZMSKJZOSHC-CQSZACIVSA-N 1 2 346.450 3.713 20 0 EHADLO COC1CCC([NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)CC1 ZINC000183162203 1140017077 /nfs/dbraw/zinc/01/70/77/1140017077.db2.gz NNYYKKKDBFWVBN-GPANFISMSA-N 1 2 335.835 3.668 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cnn1C ZINC000183430016 1140037213 /nfs/dbraw/zinc/03/72/13/1140037213.db2.gz HZMWOCVBRYUTSI-VXGBXAGGSA-N 1 2 343.406 3.638 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(SC)cc1)c1ccc(C)o1 ZINC000184747131 1140118942 /nfs/dbraw/zinc/11/89/42/1140118942.db2.gz ZYCGEHHFYXCFKS-CJNGLKHVSA-N 1 2 348.468 3.614 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C1CC1 ZINC000184872325 1140124266 /nfs/dbraw/zinc/12/42/66/1140124266.db2.gz NBONVMOQPHALJF-OAHLLOKOSA-N 1 2 341.455 3.639 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000184974525 1140128081 /nfs/dbraw/zinc/12/80/81/1140128081.db2.gz GVMXMQGAPUIWTP-NWDGAFQWSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)s1 ZINC000184981927 1140128905 /nfs/dbraw/zinc/12/89/05/1140128905.db2.gz JJHXTLVZPDMVRI-NWDGAFQWSA-N 1 2 337.876 3.633 20 0 EHADLO CC(=O)c1c(F)cccc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185486443 1140152945 /nfs/dbraw/zinc/15/29/45/1140152945.db2.gz GSOWHIRHWBTMHV-CYBMUJFWSA-N 1 2 332.444 3.973 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(OC)n1)c1nc(C(F)(F)F)cs1 ZINC000185923552 1140177140 /nfs/dbraw/zinc/17/71/40/1140177140.db2.gz HNFWMIUNXUNUIX-JTQLQIEISA-N 1 2 331.363 3.806 20 0 EHADLO COCC[NH+](CCOC)Cc1nc(-c2ccccc2Cl)cs1 ZINC000186493817 1140207469 /nfs/dbraw/zinc/20/74/69/1140207469.db2.gz USGVPHHOECMINZ-UHFFFAOYSA-N 1 2 340.876 3.558 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)OCO2 ZINC000186826235 1140223438 /nfs/dbraw/zinc/22/34/38/1140223438.db2.gz ZHEMOBSFZPJDNW-GFCCVEGCSA-N 1 2 332.400 3.569 20 0 EHADLO C[C@@H]1CCCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000187104856 1140239040 /nfs/dbraw/zinc/23/90/40/1140239040.db2.gz DOSDSPJQTFCNOB-MRXNPFEDSA-N 1 2 342.443 3.616 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1C=CCCC1 ZINC000188166759 1140286005 /nfs/dbraw/zinc/28/60/05/1140286005.db2.gz VEMWSCSKUYYYMZ-KRWDZBQOSA-N 1 2 328.456 3.512 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000188438865 1140296097 /nfs/dbraw/zinc/29/60/97/1140296097.db2.gz FEMZWLJTHQMONS-JTQLQIEISA-N 1 2 326.227 3.537 20 0 EHADLO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000188934535 1140313886 /nfs/dbraw/zinc/31/38/86/1140313886.db2.gz YWWQGWGEYUQXPR-JTQLQIEISA-N 1 2 329.297 3.650 20 0 EHADLO Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000188934535 1140313889 /nfs/dbraw/zinc/31/38/89/1140313889.db2.gz YWWQGWGEYUQXPR-JTQLQIEISA-N 1 2 329.297 3.650 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190544396 1140409570 /nfs/dbraw/zinc/40/95/70/1140409570.db2.gz LHVVOQDAWZOEGT-DYVFJYSZSA-N 1 2 346.862 3.692 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1OC(F)F ZINC000190752735 1140416747 /nfs/dbraw/zinc/41/67/47/1140416747.db2.gz FPGZCDWBXROYQT-AWEZNQCLSA-N 1 2 338.402 3.875 20 0 EHADLO CC(C)CCOc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190920809 1140425675 /nfs/dbraw/zinc/42/56/75/1140425675.db2.gz FVQQOUNYARQWGY-UHFFFAOYSA-N 1 2 330.476 3.748 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191120657 1140436845 /nfs/dbraw/zinc/43/68/45/1140436845.db2.gz KTSLHBWLZZDKRR-AWEZNQCLSA-N 1 2 337.826 3.949 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000192336696 1140524200 /nfs/dbraw/zinc/52/42/00/1140524200.db2.gz JUWVHSRFCQYPPF-KRWDZBQOSA-N 1 2 342.487 3.937 20 0 EHADLO COCCn1c2ccc(Cl)cc2nc1SCc1cc[nH+]c(N)c1 ZINC000193071110 1140561575 /nfs/dbraw/zinc/56/15/75/1140561575.db2.gz RJDLZTVDAVAGCM-UHFFFAOYSA-N 1 2 348.859 3.606 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193317663 1140571228 /nfs/dbraw/zinc/57/12/28/1140571228.db2.gz UORFFKAXIYDPCY-OXQOHEQNSA-N 1 2 325.456 3.661 20 0 EHADLO COc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000194422069 1140608786 /nfs/dbraw/zinc/60/87/86/1140608786.db2.gz XXRLLWASSKDNNO-SWLSCSKDSA-N 1 2 348.834 3.660 20 0 EHADLO C[C@H]1COCC[C@@H]1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000195099660 1140630537 /nfs/dbraw/zinc/63/05/37/1140630537.db2.gz YYUDZQHZZHOLQS-KSSFIOAISA-N 1 2 331.485 3.612 20 0 EHADLO C[C@H]1COCC[C@@H]1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000195099660 1140630543 /nfs/dbraw/zinc/63/05/43/1140630543.db2.gz YYUDZQHZZHOLQS-KSSFIOAISA-N 1 2 331.485 3.612 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC(C)(C)C ZINC000266457327 1140690234 /nfs/dbraw/zinc/69/02/34/1140690234.db2.gz YWFOXRVHPWHMQD-UHFFFAOYSA-N 1 2 331.504 3.973 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266797288 1140724711 /nfs/dbraw/zinc/72/47/11/1140724711.db2.gz YIYXHFDNWGSIJY-HNNXBMFYSA-N 1 2 340.471 3.741 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)CC2(C)C)c1)[NH+]1CCOCC1 ZINC000266914881 1140737709 /nfs/dbraw/zinc/73/77/09/1140737709.db2.gz LBILHLVWQCDMQC-HOTGVXAUSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C(C)(C)C1 ZINC000266922541 1140738268 /nfs/dbraw/zinc/73/82/68/1140738268.db2.gz NERFPXXZWICHEE-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nc(C2CC2)[nH+]1 ZINC000267007091 1140749631 /nfs/dbraw/zinc/74/96/31/1140749631.db2.gz GTRQEXKRQDKTIG-ZLOXQWCVSA-N 1 2 329.469 3.597 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000267141044 1140762168 /nfs/dbraw/zinc/76/21/68/1140762168.db2.gz XZUWVOCXEZZJSF-UHFFFAOYSA-N 1 2 342.226 3.500 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267298431 1140776570 /nfs/dbraw/zinc/77/65/70/1140776570.db2.gz BZYWABBNVIWPKQ-MAUKXSAKSA-N 1 2 342.487 3.669 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267298431 1140776575 /nfs/dbraw/zinc/77/65/75/1140776575.db2.gz BZYWABBNVIWPKQ-MAUKXSAKSA-N 1 2 342.487 3.669 20 0 EHADLO CCN(C(=O)C[N@H+](CC)Cc1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000268202489 1140901863 /nfs/dbraw/zinc/90/18/63/1140901863.db2.gz XVXQUQFEPPTEIA-INIZCTEOSA-N 1 2 343.446 3.652 20 0 EHADLO CCN(C(=O)C[N@@H+](CC)Cc1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000268202489 1140901867 /nfs/dbraw/zinc/90/18/67/1140901867.db2.gz XVXQUQFEPPTEIA-INIZCTEOSA-N 1 2 343.446 3.652 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000268389219 1140931829 /nfs/dbraw/zinc/93/18/29/1140931829.db2.gz QALUPJTYTXPDKM-ZQIUZPCESA-N 1 2 331.847 3.750 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)o1 ZINC000268738977 1140980513 /nfs/dbraw/zinc/98/05/13/1140980513.db2.gz PECXKJNPAYIVJB-SNVBAGLBSA-N 1 2 338.333 3.754 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268850402 1141008632 /nfs/dbraw/zinc/00/86/32/1141008632.db2.gz SRIVHERRBFOLTB-INIZCTEOSA-N 1 2 325.456 3.656 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c(OCCC)c1 ZINC000268929008 1141027195 /nfs/dbraw/zinc/02/71/95/1141027195.db2.gz SHNAKYYDLVDLSZ-CABCVRRESA-N 1 2 346.475 3.805 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nccn2C)c(OCCC)c1 ZINC000268958618 1141034211 /nfs/dbraw/zinc/03/42/11/1141034211.db2.gz ZJOIHSCHBUZHEI-HNNXBMFYSA-N 1 2 331.460 3.849 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H](c2ccsc2)O1 ZINC000269009685 1141045606 /nfs/dbraw/zinc/04/56/06/1141045606.db2.gz MIJOZJPIKKWEPC-NHYWBVRUSA-N 1 2 331.466 3.715 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H](c2ccsc2)O1 ZINC000269009685 1141045614 /nfs/dbraw/zinc/04/56/14/1141045614.db2.gz MIJOZJPIKKWEPC-NHYWBVRUSA-N 1 2 331.466 3.715 20 0 EHADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000269062268 1141058275 /nfs/dbraw/zinc/05/82/75/1141058275.db2.gz KOTGSDQSWOMTLZ-AWEZNQCLSA-N 1 2 340.496 3.821 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000269277024 1141088100 /nfs/dbraw/zinc/08/81/00/1141088100.db2.gz PHQJTYPYCOKECN-KRWDZBQOSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)cs1 ZINC000269433054 1141107445 /nfs/dbraw/zinc/10/74/45/1141107445.db2.gz QALBMELHCJTCTG-CZUORRHYSA-N 1 2 332.469 3.778 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000270116348 1141181387 /nfs/dbraw/zinc/18/13/87/1141181387.db2.gz NRKDBVCITAHCJP-UHFFFAOYSA-N 1 2 335.521 3.694 20 0 EHADLO COc1coc(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1=O ZINC000270122835 1141181715 /nfs/dbraw/zinc/18/17/15/1141181715.db2.gz GAPIOFSQEGURLB-GFCCVEGCSA-N 1 2 336.457 3.730 20 0 EHADLO COc1coc(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1=O ZINC000270122835 1141181719 /nfs/dbraw/zinc/18/17/19/1141181719.db2.gz GAPIOFSQEGURLB-GFCCVEGCSA-N 1 2 336.457 3.730 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000270427153 1141222343 /nfs/dbraw/zinc/22/23/43/1141222343.db2.gz HDXWYGXQWPYRAI-IGOJGBNBSA-N 1 2 333.435 3.977 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC1(Cl)Cl ZINC000270442495 1141223875 /nfs/dbraw/zinc/22/38/75/1141223875.db2.gz JXMRUQWMDRYENV-CYBMUJFWSA-N 1 2 348.233 3.734 20 0 EHADLO CN(C)C(=O)c1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)[nH]1 ZINC000271271121 1141336799 /nfs/dbraw/zinc/33/67/99/1141336799.db2.gz NGBBDBXGJJQVRN-UHFFFAOYSA-N 1 2 341.430 3.535 20 0 EHADLO FC(F)c1nnc2ccc(Nc3ccc(NC4CCCC4)[nH+]c3)nn21 ZINC000271364185 1141351529 /nfs/dbraw/zinc/35/15/29/1141351529.db2.gz VERZDJLDSMGGAY-UHFFFAOYSA-N 1 2 345.357 3.555 20 0 EHADLO CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000271583138 1141401957 /nfs/dbraw/zinc/40/19/57/1141401957.db2.gz SDIPJRUPSOIXSM-HOTGVXAUSA-N 1 2 342.443 3.757 20 0 EHADLO COc1cccc(OC)c1OC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000271584970 1141401992 /nfs/dbraw/zinc/40/19/92/1141401992.db2.gz VWIZHEQKTCGHIE-UHFFFAOYSA-N 1 2 348.468 3.512 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)cc1C ZINC000274028880 1141465508 /nfs/dbraw/zinc/46/55/08/1141465508.db2.gz NLOHHJXJMVAZOS-GFCCVEGCSA-N 1 2 334.441 3.870 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000274253850 1141489758 /nfs/dbraw/zinc/48/97/58/1141489758.db2.gz SVBITWIKNMJSFS-QWHCGFSZSA-N 1 2 327.457 3.503 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1C ZINC000339130341 1141505545 /nfs/dbraw/zinc/50/55/45/1141505545.db2.gz ANRFDRKODHCCPN-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@H](C)c3c(F)cccc3F)on2)cnn1C ZINC000274369294 1141506434 /nfs/dbraw/zinc/50/64/34/1141506434.db2.gz ZUBVUIRRFHIZHD-SNVBAGLBSA-N 1 2 332.354 3.513 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000339144246 1141509528 /nfs/dbraw/zinc/50/95/28/1141509528.db2.gz IOYJUVFOTJBDQO-KRWDZBQOSA-N 1 2 328.412 3.921 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000339144246 1141509530 /nfs/dbraw/zinc/50/95/30/1141509530.db2.gz IOYJUVFOTJBDQO-KRWDZBQOSA-N 1 2 328.412 3.921 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000339151605 1141511462 /nfs/dbraw/zinc/51/14/62/1141511462.db2.gz IKMHZFQORIIIDR-WZONZLPQSA-N 1 2 328.412 3.598 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000339181575 1141520557 /nfs/dbraw/zinc/52/05/57/1141520557.db2.gz QFQSKJFCEABVPR-UHFFFAOYSA-N 1 2 345.446 3.588 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cs1 ZINC000274424401 1141524172 /nfs/dbraw/zinc/52/41/72/1141524172.db2.gz MAMAPGDVVJCIRF-GFCCVEGCSA-N 1 2 348.468 3.785 20 0 EHADLO Cc1cncc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000274440419 1141529088 /nfs/dbraw/zinc/52/90/88/1141529088.db2.gz XHDUVVIOGFCJFU-OAGGEKHMSA-N 1 2 326.444 3.572 20 0 EHADLO Cc1csc(CCCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000339263951 1141543318 /nfs/dbraw/zinc/54/33/18/1141543318.db2.gz IWWXTPYFUVFOSM-UHFFFAOYSA-N 1 2 344.415 3.738 20 0 EHADLO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000348560968 1141551893 /nfs/dbraw/zinc/55/18/93/1141551893.db2.gz WMFXENVFNMWSOX-LFPIHBKWSA-N 1 2 347.484 3.576 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)n1 ZINC000348576857 1141553988 /nfs/dbraw/zinc/55/39/88/1141553988.db2.gz KNZJVXZXNNKIGU-UHFFFAOYSA-N 1 2 339.483 3.649 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)n1 ZINC000348576857 1141553991 /nfs/dbraw/zinc/55/39/91/1141553991.db2.gz KNZJVXZXNNKIGU-UHFFFAOYSA-N 1 2 339.483 3.649 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000283289987 1141586713 /nfs/dbraw/zinc/58/67/13/1141586713.db2.gz XWOPYHQFZDMKEG-CYBMUJFWSA-N 1 2 346.450 3.812 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842500 1141594140 /nfs/dbraw/zinc/59/41/40/1141594140.db2.gz IQKHXHPWRMWHHX-FRRDWIJNSA-N 1 2 342.405 3.714 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842500 1141594142 /nfs/dbraw/zinc/59/41/42/1141594142.db2.gz IQKHXHPWRMWHHX-FRRDWIJNSA-N 1 2 342.405 3.714 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000348917997 1141609355 /nfs/dbraw/zinc/60/93/55/1141609355.db2.gz AROWCDHJCMOVFX-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000348917997 1141609356 /nfs/dbraw/zinc/60/93/56/1141609356.db2.gz AROWCDHJCMOVFX-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2cccnc2)nc2ccc(Cl)cc21 ZINC000348919748 1141609363 /nfs/dbraw/zinc/60/93/63/1141609363.db2.gz GRJLTFJVMPVAAQ-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2cccnc2)nc2ccc(Cl)cc21 ZINC000348919748 1141609365 /nfs/dbraw/zinc/60/93/65/1141609365.db2.gz GRJLTFJVMPVAAQ-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO CC1=CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000348947013 1141614239 /nfs/dbraw/zinc/61/42/39/1141614239.db2.gz BJFIAZDWFSLNON-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO CC1=CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000348947013 1141614241 /nfs/dbraw/zinc/61/42/41/1141614241.db2.gz BJFIAZDWFSLNON-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO COCC[N@H+](Cc1cccnc1)Cc1c(Cl)ccc2cccnc21 ZINC000348997033 1141619885 /nfs/dbraw/zinc/61/98/85/1141619885.db2.gz ASOXPBMKIXUZFP-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO COCC[N@@H+](Cc1cccnc1)Cc1c(Cl)ccc2cccnc21 ZINC000348997033 1141619889 /nfs/dbraw/zinc/61/98/89/1141619889.db2.gz ASOXPBMKIXUZFP-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccccn1 ZINC000349034808 1141625730 /nfs/dbraw/zinc/62/57/30/1141625730.db2.gz GEHHRYYFZGDBEZ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccccn1 ZINC000349034808 1141625733 /nfs/dbraw/zinc/62/57/33/1141625733.db2.gz GEHHRYYFZGDBEZ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000349044049 1141627660 /nfs/dbraw/zinc/62/76/60/1141627660.db2.gz AVYVSOZZASSXTR-HKUYNNGSSA-N 1 2 345.446 3.966 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000349044052 1141627709 /nfs/dbraw/zinc/62/77/09/1141627709.db2.gz AVYVSOZZASSXTR-PKOBYXMFSA-N 1 2 345.446 3.966 20 0 EHADLO Brc1ccc(-c2nc(C[NH+]3CCSCC3)co2)cc1 ZINC000064508465 214789165 /nfs/dbraw/zinc/78/91/65/214789165.db2.gz QSOUFPJVIPOYTO-UHFFFAOYSA-N 1 2 339.258 3.653 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023777517 212394142 /nfs/dbraw/zinc/39/41/42/212394142.db2.gz NYTGXWAIXBQNHO-UHFFFAOYSA-N 1 2 327.815 3.517 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023777517 212394144 /nfs/dbraw/zinc/39/41/44/212394144.db2.gz NYTGXWAIXBQNHO-UHFFFAOYSA-N 1 2 327.815 3.517 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000078361163 217044692 /nfs/dbraw/zinc/04/46/92/217044692.db2.gz SMUJCDROPRPAEP-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000079182162 217200781 /nfs/dbraw/zinc/20/07/81/217200781.db2.gz VFDTUOXSELJDEW-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cscn2)cc1Br ZINC000040421184 525158078 /nfs/dbraw/zinc/15/80/78/525158078.db2.gz ZZIBLIMBRUDNOO-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCCOCC1 ZINC000363379156 526168732 /nfs/dbraw/zinc/16/87/32/526168732.db2.gz LOCKQHLIPFYICU-LLVKDONJSA-N 1 2 341.333 3.539 20 0 EHADLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCCOCC1 ZINC000363379156 526168740 /nfs/dbraw/zinc/16/87/40/526168740.db2.gz LOCKQHLIPFYICU-LLVKDONJSA-N 1 2 341.333 3.539 20 0 EHADLO c1cn2c(cccc2CN2CCCC[C@H]2c2nnc(C3CCC3)o2)[nH+]1 ZINC000286163631 563643748 /nfs/dbraw/zinc/64/37/48/563643748.db2.gz IFXSHEZKVMWWQE-INIZCTEOSA-N 1 2 337.427 3.712 20 0 EHADLO CC(C)c1cc(NCc2ccc(-c3nn[nH]n3)cc2)nc(C(C)C)[nH+]1 ZINC000824347868 608047974 /nfs/dbraw/zinc/04/79/74/608047974.db2.gz PZJJHFURAAACQX-UHFFFAOYSA-N 1 2 337.431 3.516 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532231 609132825 /nfs/dbraw/zinc/13/28/25/609132825.db2.gz SUINGRAIMKVLGP-NXEZZACHSA-N 1 2 347.344 3.696 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824606578 609138437 /nfs/dbraw/zinc/13/84/37/609138437.db2.gz QGMALTHKSUQKGO-VIFPVBQESA-N 1 2 349.772 3.649 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536651027 1032064431 /nfs/dbraw/zinc/06/44/31/1032064431.db2.gz FOTGETCIPDQNSI-JKSUJKDBSA-N 1 2 326.444 3.602 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCOCC23CCC3)s1 ZINC000449029783 1032066206 /nfs/dbraw/zinc/06/62/06/1032066206.db2.gz PNADSQFWJHQSRV-UHFFFAOYSA-N 1 2 336.407 3.843 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCOCC23CCC3)s1 ZINC000449029783 1032066216 /nfs/dbraw/zinc/06/62/16/1032066216.db2.gz PNADSQFWJHQSRV-UHFFFAOYSA-N 1 2 336.407 3.843 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)s1 ZINC000449030354 1032067106 /nfs/dbraw/zinc/06/71/06/1032067106.db2.gz RKWBUGYRQRACTI-HNNXBMFYSA-N 1 2 336.407 3.699 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCOC[C@H]2C2CC2)s1 ZINC000449030354 1032067118 /nfs/dbraw/zinc/06/71/18/1032067118.db2.gz RKWBUGYRQRACTI-HNNXBMFYSA-N 1 2 336.407 3.699 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662771 1032080332 /nfs/dbraw/zinc/08/03/32/1032080332.db2.gz YNVGVSCGUDSLOP-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662771 1032080350 /nfs/dbraw/zinc/08/03/50/1032080350.db2.gz YNVGVSCGUDSLOP-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO C[C@@H]([NH2+]Cc1cncc(Br)c1)c1c(F)cccc1F ZINC000163898878 1032081583 /nfs/dbraw/zinc/08/15/83/1032081583.db2.gz DFQGNMDXCYVTPT-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc(C)[nH+]1 ZINC000579698357 1014221263 /nfs/dbraw/zinc/22/12/63/1014221263.db2.gz YKMAXPKQUSFPSE-HNNXBMFYSA-N 1 2 337.345 3.801 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000339360168 1014279301 /nfs/dbraw/zinc/27/93/01/1014279301.db2.gz SNUXICRKXCZLCR-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074179683 1014301568 /nfs/dbraw/zinc/30/15/68/1014301568.db2.gz MKNQMEMFGBSLRB-HZPDHXFCSA-N 1 2 343.496 3.927 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2csc(COc3ccccc3)n2)cn1 ZINC000274624780 1014359334 /nfs/dbraw/zinc/35/93/34/1014359334.db2.gz GRNMQROXPVUZDJ-CQSZACIVSA-N 1 2 342.468 3.789 20 0 EHADLO C[C@H]1CCCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498256 1032093330 /nfs/dbraw/zinc/09/33/30/1032093330.db2.gz YFNWFUPHOJLHIQ-MAUKXSAKSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@H]1CCCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498262 1032094127 /nfs/dbraw/zinc/09/41/27/1032094127.db2.gz YFNWFUPHOJLHIQ-YJBOKZPZSA-N 1 2 341.455 3.863 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000339471599 1014537769 /nfs/dbraw/zinc/53/77/69/1014537769.db2.gz XXBPAIYIXQAGMA-AEFFLSMTSA-N 1 2 325.456 3.628 20 0 EHADLO CC(=O)[C@H](C)CCCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000547636951 1014578447 /nfs/dbraw/zinc/57/84/47/1014578447.db2.gz ZEFXRTBTGGJGJX-CYBMUJFWSA-N 1 2 340.427 3.554 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654996614 1014764062 /nfs/dbraw/zinc/76/40/62/1014764062.db2.gz IZNBQXILKGUJBL-UKRRQHHQSA-N 1 2 335.398 3.502 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182504678 1032103874 /nfs/dbraw/zinc/10/38/74/1032103874.db2.gz IURZQGVENAJBCD-UONOGXRCSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182504678 1032103883 /nfs/dbraw/zinc/10/38/83/1032103883.db2.gz IURZQGVENAJBCD-UONOGXRCSA-N 1 2 344.484 3.801 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(c2ccccc2)CC1 ZINC000045069165 1014906494 /nfs/dbraw/zinc/90/64/94/1014906494.db2.gz NQQQPZGCMKWXIG-UHFFFAOYSA-N 1 2 331.419 3.892 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195395 1014941284 /nfs/dbraw/zinc/94/12/84/1014941284.db2.gz RBUUYXDHNNBXPN-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195395 1014941297 /nfs/dbraw/zinc/94/12/97/1014941297.db2.gz RBUUYXDHNNBXPN-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCC[C@@H]3C3CCC3)c2=S)c(C)c1 ZINC000728198708 1014947388 /nfs/dbraw/zinc/94/73/88/1014947388.db2.gz DDIWMQDDCUBELI-QGZVFWFLSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCC[C@@H]3C3CCC3)c2=S)c(C)c1 ZINC000728198708 1014947396 /nfs/dbraw/zinc/94/73/96/1014947396.db2.gz DDIWMQDDCUBELI-QGZVFWFLSA-N 1 2 343.500 3.637 20 0 EHADLO c1cc(C[NH+]2CCN(c3nnc(-c4ccccc4)s3)CC2)cs1 ZINC000024055010 1015221319 /nfs/dbraw/zinc/22/13/19/1015221319.db2.gz DPJDNQZQLKZMLP-UHFFFAOYSA-N 1 2 342.493 3.589 20 0 EHADLO Cc1nc2ccccc2n1CCCCCSc1nc(N)cc(C)[nH+]1 ZINC000460875481 1032113895 /nfs/dbraw/zinc/11/38/95/1032113895.db2.gz AKKVEMXYOVEHHX-UHFFFAOYSA-N 1 2 341.484 3.818 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047048 1032119831 /nfs/dbraw/zinc/11/98/31/1032119831.db2.gz MQAJNNCJBMDHFW-MYYSRTQBSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449047048 1032119836 /nfs/dbraw/zinc/11/98/36/1032119836.db2.gz MQAJNNCJBMDHFW-MYYSRTQBSA-N 1 2 345.512 3.929 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825151 1015707396 /nfs/dbraw/zinc/70/73/96/1015707396.db2.gz MORYHIZACAAGES-NSHDSACASA-N 1 2 346.780 3.539 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825151 1015707401 /nfs/dbraw/zinc/70/74/01/1015707401.db2.gz MORYHIZACAAGES-NSHDSACASA-N 1 2 346.780 3.539 20 0 EHADLO C[C@H](CC(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000154666645 1015733545 /nfs/dbraw/zinc/73/35/45/1015733545.db2.gz SNQLDFRHIQDNAA-CYBMUJFWSA-N 1 2 339.361 3.602 20 0 EHADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151919032 1015791319 /nfs/dbraw/zinc/79/13/19/1015791319.db2.gz JSRKEEWHBKMVAS-GRGSLBFTSA-N 1 2 338.455 3.600 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c(F)cccc1Cl ZINC000060060619 1015797681 /nfs/dbraw/zinc/79/76/81/1015797681.db2.gz DDVAMASVCKKLSL-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NCc2ccc(-c3ncon3)cc2)c1 ZINC001167097852 1015819303 /nfs/dbraw/zinc/81/93/03/1015819303.db2.gz WITXPGFXLKVOIC-UHFFFAOYSA-N 1 2 331.379 3.749 20 0 EHADLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2SC(F)F)C[C@H](C)S1 ZINC000075893654 1015824007 /nfs/dbraw/zinc/82/40/07/1015824007.db2.gz GWCZIZOZVJLGKO-QWRGUYRKSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000120702392 1015894213 /nfs/dbraw/zinc/89/42/13/1015894213.db2.gz QPYNANOPCYCURZ-OAHLLOKOSA-N 1 2 332.407 3.706 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)c1 ZINC000528339948 1032133847 /nfs/dbraw/zinc/13/38/47/1032133847.db2.gz IIKQWGOSSIQBKS-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1-n1cccn1 ZINC000183130865 1032134041 /nfs/dbraw/zinc/13/40/41/1032134041.db2.gz FXPWGRKIPOHIGA-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO COC[C@@H](C)N(Cc1cccc(OC)c1)c1cc(C(C)C)[nH+]c(C)n1 ZINC001167118567 1016107375 /nfs/dbraw/zinc/10/73/75/1016107375.db2.gz DFOMAPQWKYDYBO-OAHLLOKOSA-N 1 2 343.471 3.959 20 0 EHADLO c1ccc(Oc2ccc(CNc3cc(NCC4CC4)[nH+]cn3)cn2)cc1 ZINC000340022934 1016135228 /nfs/dbraw/zinc/13/52/28/1016135228.db2.gz KYYOZOYHAPWOTD-UHFFFAOYSA-N 1 2 347.422 3.520 20 0 EHADLO c1ccc(Oc2ccc(CNc3cc(NCC4CC4)nc[nH+]3)cn2)cc1 ZINC000340022934 1016135234 /nfs/dbraw/zinc/13/52/34/1016135234.db2.gz KYYOZOYHAPWOTD-UHFFFAOYSA-N 1 2 347.422 3.520 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000275224852 1016169129 /nfs/dbraw/zinc/16/91/29/1016169129.db2.gz DOOMURNWMWEHRC-CYBMUJFWSA-N 1 2 340.452 3.795 20 0 EHADLO c1cn(C2CCN(c3cccc(OCc4ccccc4)n3)CC2)c[nH+]1 ZINC001167125713 1016205084 /nfs/dbraw/zinc/20/50/84/1016205084.db2.gz GMSQFMVWDNSRRW-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@@H+]1C ZINC001594245049 998934953 /nfs/dbraw/zinc/93/49/53/998934953.db2.gz FGRSNPADCYKLDK-GJZGRUSLSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@H+]1C ZINC001594245049 998934960 /nfs/dbraw/zinc/93/49/60/998934960.db2.gz FGRSNPADCYKLDK-GJZGRUSLSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245049 998934968 /nfs/dbraw/zinc/93/49/68/998934968.db2.gz FGRSNPADCYKLDK-GJZGRUSLSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245049 998934973 /nfs/dbraw/zinc/93/49/73/998934973.db2.gz FGRSNPADCYKLDK-GJZGRUSLSA-N 1 2 342.439 3.559 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)c3ccc4c(c3)CCC4)c2C1 ZINC000340096755 1016287620 /nfs/dbraw/zinc/28/76/20/1016287620.db2.gz BHSFGBQWFZNHCZ-UHFFFAOYSA-N 1 2 348.446 3.722 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)c3ccc4c(c3)CCC4)c2C1 ZINC000340096755 1016287627 /nfs/dbraw/zinc/28/76/27/1016287627.db2.gz BHSFGBQWFZNHCZ-UHFFFAOYSA-N 1 2 348.446 3.722 20 0 EHADLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000093838320 1016349289 /nfs/dbraw/zinc/34/92/89/1016349289.db2.gz KQAPODSOSCJOHD-ZDUSSCGKSA-N 1 2 328.362 3.814 20 0 EHADLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000093838320 1016349299 /nfs/dbraw/zinc/34/92/99/1016349299.db2.gz KQAPODSOSCJOHD-ZDUSSCGKSA-N 1 2 328.362 3.814 20 0 EHADLO Cc1cc(Cl)c(C)c(N2CCO[C@@H](COc3ccccc3)C2)[nH+]1 ZINC001167155299 1016371960 /nfs/dbraw/zinc/37/19/60/1016371960.db2.gz LUXIVQXLXOPNRJ-MRXNPFEDSA-N 1 2 332.831 3.636 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588169104 1016424213 /nfs/dbraw/zinc/42/42/13/1016424213.db2.gz WMBARDNRYYOPFI-FQEVSTJZSA-N 1 2 326.440 3.677 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1ccoc1 ZINC000588169104 1016424222 /nfs/dbraw/zinc/42/42/22/1016424222.db2.gz WMBARDNRYYOPFI-FQEVSTJZSA-N 1 2 326.440 3.677 20 0 EHADLO C[C@@H]1CO[C@@H]2CN(c3cc(SCc4ccccc4)cc[nH+]3)C[C@H]12 ZINC001167172446 1016464456 /nfs/dbraw/zinc/46/44/56/1016464456.db2.gz ZLJYCWJJWQAHIY-ZTFGCOKTSA-N 1 2 326.465 3.845 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)s2)c1 ZINC000376564090 1016485536 /nfs/dbraw/zinc/48/55/36/1016485536.db2.gz CDNTXWPNPAKUSU-CYBMUJFWSA-N 1 2 338.436 3.900 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000361285152 1016494073 /nfs/dbraw/zinc/49/40/73/1016494073.db2.gz BYRRHQASNKULCB-MRXNPFEDSA-N 1 2 327.827 3.669 20 0 EHADLO COCC1(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000361285152 1016494077 /nfs/dbraw/zinc/49/40/77/1016494077.db2.gz BYRRHQASNKULCB-MRXNPFEDSA-N 1 2 327.827 3.669 20 0 EHADLO Cn1c2ccccc2nc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000140297357 1016503184 /nfs/dbraw/zinc/50/31/84/1016503184.db2.gz NHJDEMVPROKQQY-UHFFFAOYSA-N 1 2 330.435 3.631 20 0 EHADLO CC(C)c1cccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000275369960 1016592954 /nfs/dbraw/zinc/59/29/54/1016592954.db2.gz XVCLEZXNTRVIKD-AEFFLSMTSA-N 1 2 342.443 3.585 20 0 EHADLO CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000275388229 1016670131 /nfs/dbraw/zinc/67/01/31/1016670131.db2.gz CMSOYMWSFFMGMO-UHFFFAOYSA-N 1 2 345.446 3.735 20 0 EHADLO Cc1ccc2c(CC[NH2+][C@@H](c3nnc[nH]3)c3ccc(F)cc3)c[nH]c2c1 ZINC000340216558 1016715794 /nfs/dbraw/zinc/71/57/94/1016715794.db2.gz LKAZSTVAYAHMSQ-LJQANCHMSA-N 1 2 349.413 3.655 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340233074 1016739923 /nfs/dbraw/zinc/73/99/23/1016739923.db2.gz YKHZRJFWSCVVQY-OAHLLOKOSA-N 1 2 333.439 3.517 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340233074 1016739934 /nfs/dbraw/zinc/73/99/34/1016739934.db2.gz YKHZRJFWSCVVQY-OAHLLOKOSA-N 1 2 333.439 3.517 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](C(F)F)C1 ZINC000589600375 1016796340 /nfs/dbraw/zinc/79/63/40/1016796340.db2.gz YWFBEWOMXXNOFW-GFCCVEGCSA-N 1 2 334.366 3.811 20 0 EHADLO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(O)cc1F ZINC001140128683 1016821687 /nfs/dbraw/zinc/82/16/87/1016821687.db2.gz YXLGBLGFRFTDII-UHFFFAOYSA-N 1 2 344.213 3.833 20 0 EHADLO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(O)cc1F ZINC001140128683 1016821704 /nfs/dbraw/zinc/82/17/04/1016821704.db2.gz YXLGBLGFRFTDII-UHFFFAOYSA-N 1 2 344.213 3.833 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)C2 ZINC000579904646 1016869029 /nfs/dbraw/zinc/86/90/29/1016869029.db2.gz IFZAABYQYGPDHX-JONQDZQNSA-N 1 2 331.504 3.827 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)CC2 ZINC000579904646 1016869047 /nfs/dbraw/zinc/86/90/47/1016869047.db2.gz IFZAABYQYGPDHX-JONQDZQNSA-N 1 2 331.504 3.827 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCN(c4cccc(O)c4)CC3)nc2c1 ZINC000528349175 1032152128 /nfs/dbraw/zinc/15/21/28/1032152128.db2.gz NEGSRGJZUGMPIZ-UHFFFAOYSA-N 1 2 339.464 3.633 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cnc3ccccc3c1)C2 ZINC000376677098 1016970992 /nfs/dbraw/zinc/97/09/92/1016970992.db2.gz BHOYPULJISRXIU-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cnc3ccccc3c1)CC2 ZINC000376677098 1016971002 /nfs/dbraw/zinc/97/10/02/1016971002.db2.gz BHOYPULJISRXIU-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CCc1onc(C)c1C[N@@H+]1CCc2c(Br)cccc2C1 ZINC001167278985 1016986541 /nfs/dbraw/zinc/98/65/41/1016986541.db2.gz BFWCACTUBRRATA-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO CCc1onc(C)c1C[N@H+]1CCc2c(Br)cccc2C1 ZINC001167278985 1016986550 /nfs/dbraw/zinc/98/65/50/1016986550.db2.gz BFWCACTUBRRATA-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO Cc1oc2ccccc2c1CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340362176 1017035193 /nfs/dbraw/zinc/03/51/93/1017035193.db2.gz NYGOCHXMAPOBIN-KRWDZBQOSA-N 1 2 338.436 3.843 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)cnn1C ZINC000183320447 1032192067 /nfs/dbraw/zinc/19/20/67/1032192067.db2.gz HTBWKKYVSPBHFS-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO C[N@H+](Cc1cccc(O)c1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000080924467 1032208218 /nfs/dbraw/zinc/20/82/18/1032208218.db2.gz HOLDBUZNVCKDCF-FQEVSTJZSA-N 1 2 338.451 3.578 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000080924467 1032208232 /nfs/dbraw/zinc/20/82/32/1032208232.db2.gz HOLDBUZNVCKDCF-FQEVSTJZSA-N 1 2 338.451 3.578 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000459494835 1032216645 /nfs/dbraw/zinc/21/66/45/1032216645.db2.gz BUPCHGXAKCGJQY-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000459494835 1032216655 /nfs/dbraw/zinc/21/66/55/1032216655.db2.gz BUPCHGXAKCGJQY-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(NC2CC2)s1 ZINC000191549548 1032224937 /nfs/dbraw/zinc/22/49/37/1032224937.db2.gz SLMOECWTOOMUJA-UHFFFAOYSA-N 1 2 343.481 3.899 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528400066 1032226701 /nfs/dbraw/zinc/22/67/01/1032226701.db2.gz ZHKJHPGWJRVZBG-LBPRGKRZSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(Cl)c1 ZINC000459518255 1032226942 /nfs/dbraw/zinc/22/69/42/1032226942.db2.gz SOXGIBDLHCOJCW-DEYYWGMASA-N 1 2 341.854 3.946 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(Cl)c1 ZINC000459518255 1032226951 /nfs/dbraw/zinc/22/69/51/1032226951.db2.gz SOXGIBDLHCOJCW-DEYYWGMASA-N 1 2 341.854 3.946 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ncccc1Cl)c1ccccc1 ZINC000528400376 1032227111 /nfs/dbraw/zinc/22/71/11/1032227111.db2.gz NYEGLJNOUNHYPR-MRXNPFEDSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ncccc1Cl)c1ccccc1 ZINC000528400376 1032227120 /nfs/dbraw/zinc/22/71/20/1032227120.db2.gz NYEGLJNOUNHYPR-MRXNPFEDSA-N 1 2 343.858 3.520 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459518742 1032230379 /nfs/dbraw/zinc/23/03/79/1032230379.db2.gz DVBBDPCCGQDSOJ-UHFFFAOYSA-N 1 2 328.460 3.860 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000683516496 1017243788 /nfs/dbraw/zinc/24/37/88/1017243788.db2.gz DTXQIWWVILPYQK-MJGOQNOKSA-N 1 2 343.430 3.624 20 0 EHADLO COC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C)o1 ZINC000449174421 1032266887 /nfs/dbraw/zinc/26/68/87/1032266887.db2.gz HLTOKPGMTPDQBT-STQMWFEESA-N 1 2 325.330 3.970 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184427199 1032270631 /nfs/dbraw/zinc/27/06/31/1032270631.db2.gz LKZLERADCJNJGH-CSNYQSHPSA-N 1 2 331.419 3.741 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1Br ZINC000459554385 1032272201 /nfs/dbraw/zinc/27/22/01/1032272201.db2.gz CMHZFQKQFCLTOV-AWEZNQCLSA-N 1 2 333.229 3.887 20 0 EHADLO OC[C@@H]([NH2+]Cc1ncccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000528439902 1032299994 /nfs/dbraw/zinc/29/99/94/1032299994.db2.gz GKLKJOPOEJHWEB-CQSZACIVSA-N 1 2 330.737 3.577 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC3CC(F)(F)C3)n2)C1 ZINC000449184779 1032301971 /nfs/dbraw/zinc/30/19/71/1032301971.db2.gz AGPPBRIBBWOPBI-NSHDSACASA-N 1 2 343.443 3.749 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3CC(F)(F)C3)n2)C1 ZINC000449184779 1032301976 /nfs/dbraw/zinc/30/19/76/1032301976.db2.gz AGPPBRIBBWOPBI-NSHDSACASA-N 1 2 343.443 3.749 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)n1 ZINC000449186539 1032302005 /nfs/dbraw/zinc/30/20/05/1032302005.db2.gz COQGJGAOTSMALB-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)n1 ZINC000449186539 1032302012 /nfs/dbraw/zinc/30/20/12/1032302012.db2.gz COQGJGAOTSMALB-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1nc2ccccc2n1C(F)F ZINC000528464924 1032333208 /nfs/dbraw/zinc/33/32/08/1032333208.db2.gz HIRSCNKYXOXAMP-NSHDSACASA-N 1 2 349.356 3.914 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)oc1C ZINC000459627432 1032342919 /nfs/dbraw/zinc/34/29/19/1032342919.db2.gz BOPFNBBDMFAFLN-UWVGGRQHSA-N 1 2 334.441 3.732 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000081604859 1032350740 /nfs/dbraw/zinc/35/07/40/1032350740.db2.gz PFLHWOFPBQVLDP-KRWDZBQOSA-N 1 2 339.826 3.603 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000081604859 1032350751 /nfs/dbraw/zinc/35/07/51/1032350751.db2.gz PFLHWOFPBQVLDP-KRWDZBQOSA-N 1 2 339.826 3.603 20 0 EHADLO CCCCCCN(Cc1ccc(C)o1)C(=O)NCCn1cc[nH+]c1 ZINC000905148193 1032361649 /nfs/dbraw/zinc/36/16/49/1032361649.db2.gz JKLJQRBSCLXMEM-UHFFFAOYSA-N 1 2 332.448 3.577 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784012588 1032365412 /nfs/dbraw/zinc/36/54/12/1032365412.db2.gz SJWFXGRDEAKZQP-OAHLLOKOSA-N 1 2 344.484 3.657 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784012588 1032365421 /nfs/dbraw/zinc/36/54/21/1032365421.db2.gz SJWFXGRDEAKZQP-OAHLLOKOSA-N 1 2 344.484 3.657 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799095 1032366375 /nfs/dbraw/zinc/36/63/75/1032366375.db2.gz ZOGWWMZQALRFEA-AEFFLSMTSA-N 1 2 343.471 3.616 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1ccon1 ZINC000449237139 1032370790 /nfs/dbraw/zinc/37/07/90/1032370790.db2.gz MUFYMNQRWVBIKG-ISVAXAHUSA-N 1 2 325.181 3.914 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)nc2c1 ZINC000528486881 1032376964 /nfs/dbraw/zinc/37/69/64/1032376964.db2.gz KHOBJODPTHMYLI-DOXZYTNZSA-N 1 2 346.496 3.763 20 0 EHADLO Cc1ccc2sc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)nc2c1 ZINC000528486881 1032376969 /nfs/dbraw/zinc/37/69/69/1032376969.db2.gz KHOBJODPTHMYLI-DOXZYTNZSA-N 1 2 346.496 3.763 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000528518009 1032395888 /nfs/dbraw/zinc/39/58/88/1032395888.db2.gz JFKVGCDLFFDBGB-BXKDBHETSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000528518009 1032395897 /nfs/dbraw/zinc/39/58/97/1032395897.db2.gz JFKVGCDLFFDBGB-BXKDBHETSA-N 1 2 334.204 3.584 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278760383 1032420920 /nfs/dbraw/zinc/42/09/20/1032420920.db2.gz MPOCNTCOBMOCJS-NXEZZACHSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278760383 1032420926 /nfs/dbraw/zinc/42/09/26/1032420926.db2.gz MPOCNTCOBMOCJS-NXEZZACHSA-N 1 2 336.304 3.566 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000449304640 1032423184 /nfs/dbraw/zinc/42/31/84/1032423184.db2.gz ZSVFFDFZLQKITH-OAHLLOKOSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000459725493 1032431529 /nfs/dbraw/zinc/43/15/29/1032431529.db2.gz CRIKEVHGOYZROG-HNNXBMFYSA-N 1 2 336.439 3.650 20 0 EHADLO COc1cc(F)cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000449341336 1032454879 /nfs/dbraw/zinc/45/48/79/1032454879.db2.gz TWUVTRRHCCWWPB-UHFFFAOYSA-N 1 2 332.297 3.866 20 0 EHADLO c1nc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)cs1 ZINC000528580738 1032463183 /nfs/dbraw/zinc/46/31/83/1032463183.db2.gz JOBBVCMOAWDGJU-UHFFFAOYSA-N 1 2 332.473 3.638 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1C ZINC000085786623 1032465876 /nfs/dbraw/zinc/46/58/76/1032465876.db2.gz SKZJHVWXHOFRAP-KRWDZBQOSA-N 1 2 329.444 3.831 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)c1C ZINC000085786623 1032465879 /nfs/dbraw/zinc/46/58/79/1032465879.db2.gz SKZJHVWXHOFRAP-KRWDZBQOSA-N 1 2 329.444 3.831 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+]3CC[C@H]3C3CC3)cs2)cc1 ZINC000449423702 1032535725 /nfs/dbraw/zinc/53/57/25/1032535725.db2.gz BUKPYJRGEPGLOA-KRWDZBQOSA-N 1 2 330.453 3.715 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+]3CC[C@H]3C3CC3)cs2)cc1 ZINC000449423702 1032535729 /nfs/dbraw/zinc/53/57/29/1032535729.db2.gz BUKPYJRGEPGLOA-KRWDZBQOSA-N 1 2 330.453 3.715 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccs1 ZINC000089883396 1032560234 /nfs/dbraw/zinc/56/02/34/1032560234.db2.gz VDVBEVOTVDGMMP-UHFFFAOYSA-N 1 2 329.381 3.943 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccs1 ZINC000089883396 1032560238 /nfs/dbraw/zinc/56/02/38/1032560238.db2.gz VDVBEVOTVDGMMP-UHFFFAOYSA-N 1 2 329.381 3.943 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)c(OC)c1 ZINC000528673621 1032560585 /nfs/dbraw/zinc/56/05/85/1032560585.db2.gz UNVUKPNOWOPMGL-LBPRGKRZSA-N 1 2 347.484 3.610 20 0 EHADLO CC(C)c1cc(N2CCC(OC[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000090109182 1032572589 /nfs/dbraw/zinc/57/25/89/1032572589.db2.gz KHMFIWMGEKNWOM-QGZVFWFLSA-N 1 2 347.503 3.888 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC/C=C\c3ccccc3)sc2C1 ZINC000606355629 1032632570 /nfs/dbraw/zinc/63/25/70/1032632570.db2.gz ZXYVNMKMHLZQPP-UITAMQMPSA-N 1 2 327.453 3.563 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC/C=C\c3ccccc3)sc2C1 ZINC000606355629 1032632580 /nfs/dbraw/zinc/63/25/80/1032632580.db2.gz ZXYVNMKMHLZQPP-UITAMQMPSA-N 1 2 327.453 3.563 20 0 EHADLO CSCc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602096446 1032640938 /nfs/dbraw/zinc/64/09/38/1032640938.db2.gz PHALDSIPTAXEOJ-ZDUSSCGKSA-N 1 2 343.374 3.878 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000606365567 1032651978 /nfs/dbraw/zinc/65/19/78/1032651978.db2.gz CTGMDJVCXMALJF-LPHOPBHVSA-N 1 2 325.456 3.803 20 0 EHADLO C[C@@]1(C(=O)NCCCCNc2cccc[nH+]2)CCCc2ccccc21 ZINC000597779276 1032661772 /nfs/dbraw/zinc/66/17/72/1032661772.db2.gz WSAHZMXVMYAQLA-OAQYLSRUSA-N 1 2 337.467 3.684 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000376786908 1017112275 /nfs/dbraw/zinc/11/22/75/1017112275.db2.gz ILOSPZXFAPDQEE-KBPBESRZSA-N 1 2 339.395 3.664 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3F)s2)cnn1C ZINC000549130697 1017266187 /nfs/dbraw/zinc/26/61/87/1017266187.db2.gz GROMOPZGFMZOBM-MNOVXSKESA-N 1 2 345.447 3.798 20 0 EHADLO O=C(Nc1nc(Cc2ccccc2)cs1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377064740 1017307514 /nfs/dbraw/zinc/30/75/14/1017307514.db2.gz BEFMJMNHZXYICC-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC(C)(C)C1CCC1)c1ccccc1 ZINC000655621843 1017309530 /nfs/dbraw/zinc/30/95/30/1017309530.db2.gz WZTBXKCJZBARSA-KRWDZBQOSA-N 1 2 340.471 3.582 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](c1ccncc1)C1CC1 ZINC000890910112 1017327984 /nfs/dbraw/zinc/32/79/84/1017327984.db2.gz VRTOGHPCFNDMNM-UYAOXDASSA-N 1 2 346.434 3.594 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448775 1032691483 /nfs/dbraw/zinc/69/14/83/1032691483.db2.gz GORMRTXRBLKRAQ-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448775 1032691485 /nfs/dbraw/zinc/69/14/85/1032691485.db2.gz GORMRTXRBLKRAQ-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1csc([C@H]([NH2+]Cc2ccncc2Br)C2CC2)n1 ZINC000625300961 1017379825 /nfs/dbraw/zinc/37/98/25/1017379825.db2.gz JCSGKHJQDCZZGF-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000890936250 1017384691 /nfs/dbraw/zinc/38/46/91/1017384691.db2.gz KMNCLUWURYLKLF-MRXNPFEDSA-N 1 2 329.444 3.648 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000890937194 1017386843 /nfs/dbraw/zinc/38/68/43/1017386843.db2.gz ZKSZWKYZDJOTIJ-INIZCTEOSA-N 1 2 329.444 3.648 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892778795 1017408172 /nfs/dbraw/zinc/40/81/72/1017408172.db2.gz NJYANDFFJDCDAC-BSEYFRJRSA-N 1 2 343.496 3.987 20 0 EHADLO COc1ccccc1NC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178571 1017416406 /nfs/dbraw/zinc/41/64/06/1017416406.db2.gz ZDUYETGUCGYKEU-UHFFFAOYSA-N 1 2 346.377 3.581 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)c1ccc(F)cc1 ZINC000606449725 1032693940 /nfs/dbraw/zinc/69/39/40/1032693940.db2.gz CEFZNQJUMYVXTJ-UONOGXRCSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)c1ccc(F)cc1 ZINC000606449725 1032693949 /nfs/dbraw/zinc/69/39/49/1032693949.db2.gz CEFZNQJUMYVXTJ-UONOGXRCSA-N 1 2 344.405 3.761 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000655741792 1017511812 /nfs/dbraw/zinc/51/18/12/1017511812.db2.gz LTROBCFFSWUHHA-UHFFFAOYSA-N 1 2 343.862 3.901 20 0 EHADLO C([NH2+]C1CCC(C2CCCCC2)CC1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000655794217 1017622709 /nfs/dbraw/zinc/62/27/09/1017622709.db2.gz JWNBLSLNHULDTE-OFLPRAFFSA-N 1 2 332.492 3.885 20 0 EHADLO c1ccc(C[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc2)cc1 ZINC000655795396 1017628857 /nfs/dbraw/zinc/62/88/57/1017628857.db2.gz BCAWERFNZDQXPO-OALUTQOASA-N 1 2 348.450 3.730 20 0 EHADLO c1csc([C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCCC2)c1 ZINC000655798773 1017638894 /nfs/dbraw/zinc/63/88/94/1017638894.db2.gz YIFWGJVZTCLEIF-BBRMVZONSA-N 1 2 332.473 3.739 20 0 EHADLO Cc1cc(N2CCC[C@@H]2C[C@@H](O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000892903838 1017680505 /nfs/dbraw/zinc/68/05/05/1017680505.db2.gz XSNJFJVLXBXILQ-HZPDHXFCSA-N 1 2 327.428 3.738 20 0 EHADLO Cc1ccccc1-c1ccccc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655819873 1017694342 /nfs/dbraw/zinc/69/43/42/1017694342.db2.gz VEFBUDIBUZUXBK-IBGZPJMESA-N 1 2 348.450 3.921 20 0 EHADLO FC(F)(F)[C@H](C[C@H]1CCCO1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000655853585 1017788140 /nfs/dbraw/zinc/78/81/40/1017788140.db2.gz MAUGKQORNCVZRH-OCCSQVGLSA-N 1 2 345.390 3.523 20 0 EHADLO CN(C)c1nc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)ns1 ZINC000528745736 1032724050 /nfs/dbraw/zinc/72/40/50/1032724050.db2.gz RCWAKDBMMYFPSB-AWEZNQCLSA-N 1 2 334.464 3.511 20 0 EHADLO CN(C)c1nc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)ns1 ZINC000528745736 1032724067 /nfs/dbraw/zinc/72/40/67/1032724067.db2.gz RCWAKDBMMYFPSB-AWEZNQCLSA-N 1 2 334.464 3.511 20 0 EHADLO Cn1c(C[NH2+]Cc2ccccc2Br)nc2ccccc21 ZINC000070162956 1017839337 /nfs/dbraw/zinc/83/93/37/1017839337.db2.gz QVQWVUBLCQCGAE-UHFFFAOYSA-N 1 2 330.229 3.626 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)c(Cl)c1 ZINC000377498975 1017898932 /nfs/dbraw/zinc/89/89/32/1017898932.db2.gz YMWPBDBBZWQTNA-CYBMUJFWSA-N 1 2 346.862 3.578 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)sc2C1 ZINC000449543586 1032733388 /nfs/dbraw/zinc/73/33/88/1032733388.db2.gz TVQWNGVIAFAQPE-HNAYVOBHSA-N 1 2 331.529 3.530 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)sc2C1 ZINC000449543586 1032733406 /nfs/dbraw/zinc/73/34/06/1032733406.db2.gz TVQWNGVIAFAQPE-HNAYVOBHSA-N 1 2 331.529 3.530 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1C)c1cc2cc(Br)ccc2o1 ZINC000071273001 1017963605 /nfs/dbraw/zinc/96/36/05/1017963605.db2.gz UKPYWGHNPXFYOE-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO O=C(C(C1CCC1)C1CCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000579983659 1017975229 /nfs/dbraw/zinc/97/52/29/1017975229.db2.gz SLDBBPJONLLEMU-UHFFFAOYSA-N 1 2 332.513 3.609 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1C ZINC000066793092 1017987964 /nfs/dbraw/zinc/98/79/64/1017987964.db2.gz NLCWXIWKBGVAHE-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1C ZINC000066793092 1017987972 /nfs/dbraw/zinc/98/79/72/1017987972.db2.gz NLCWXIWKBGVAHE-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613675425 1018005191 /nfs/dbraw/zinc/00/51/91/1018005191.db2.gz LCJPFUGSQKJYJS-IBGZPJMESA-N 1 2 337.467 3.605 20 0 EHADLO Cc1n[nH]cc1C[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000892985394 1018049873 /nfs/dbraw/zinc/04/98/73/1018049873.db2.gz IDQULQFVQGLNRT-UHFFFAOYSA-N 1 2 332.604 3.563 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000377661435 1018139584 /nfs/dbraw/zinc/13/95/84/1018139584.db2.gz GDXCCSQCWDCVCC-KRWDZBQOSA-N 1 2 345.855 3.881 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000893027678 1018198817 /nfs/dbraw/zinc/19/88/17/1018198817.db2.gz BJPWXQZPLMBFKB-UHFFFAOYSA-N 1 2 332.395 3.846 20 0 EHADLO CC1(C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C[C@@H]1Oc1ccccc1 ZINC000340528193 1018223238 /nfs/dbraw/zinc/22/32/38/1018223238.db2.gz MGWWNBCNCISNSV-MOPGFXCFSA-N 1 2 348.450 3.603 20 0 EHADLO CC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570071 1018233170 /nfs/dbraw/zinc/23/31/70/1018233170.db2.gz YVRXPUHSAPXTQC-OAGGEKHMSA-N 1 2 333.476 3.558 20 0 EHADLO CC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570071 1018233181 /nfs/dbraw/zinc/23/31/81/1018233181.db2.gz YVRXPUHSAPXTQC-OAGGEKHMSA-N 1 2 333.476 3.558 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001143498397 1018282948 /nfs/dbraw/zinc/28/29/48/1018282948.db2.gz BDDJUCWDDAVEEJ-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001143498397 1018282954 /nfs/dbraw/zinc/28/29/54/1018282954.db2.gz BDDJUCWDDAVEEJ-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCn2c[nH+]cc2C1 ZINC000377765618 1018336680 /nfs/dbraw/zinc/33/66/80/1018336680.db2.gz UZQRWDQZAKWEDK-UHFFFAOYSA-N 1 2 334.379 3.723 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000530964100 1018349980 /nfs/dbraw/zinc/34/99/80/1018349980.db2.gz LPTUYABOOKTHPH-UHFFFAOYSA-N 1 2 340.471 3.665 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000530964100 1018349992 /nfs/dbraw/zinc/34/99/92/1018349992.db2.gz LPTUYABOOKTHPH-UHFFFAOYSA-N 1 2 340.471 3.665 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(C2CC2)c1 ZINC000656054076 1018379209 /nfs/dbraw/zinc/37/92/09/1018379209.db2.gz JKIRKQSYMQBXKU-HNAYVOBHSA-N 1 2 338.455 3.868 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000606583686 1032767164 /nfs/dbraw/zinc/76/71/64/1032767164.db2.gz KKWXBCUCZJEIOU-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO C[C@@H]1C[C@@H]1N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000415889820 1018618632 /nfs/dbraw/zinc/61/86/32/1018618632.db2.gz JJFCHASYTFHGBB-RWQQGDIJSA-N 1 2 335.451 3.596 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000528768164 1032776345 /nfs/dbraw/zinc/77/63/45/1032776345.db2.gz NUAWETDHIGGHPD-JTQLQIEISA-N 1 2 347.203 3.507 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000528768164 1032776363 /nfs/dbraw/zinc/77/63/63/1032776363.db2.gz NUAWETDHIGGHPD-JTQLQIEISA-N 1 2 347.203 3.507 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000042242506 1018681173 /nfs/dbraw/zinc/68/11/73/1018681173.db2.gz RVSPHQWMYYMLEJ-YVSFHVDLSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000042242506 1018681177 /nfs/dbraw/zinc/68/11/77/1018681177.db2.gz RVSPHQWMYYMLEJ-YVSFHVDLSA-N 1 2 340.467 3.515 20 0 EHADLO Cc1ccc([C@H]2CCCCCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000606650044 1032779503 /nfs/dbraw/zinc/77/95/03/1032779503.db2.gz WTMZCDFOEBVVQI-QGZVFWFLSA-N 1 2 344.459 3.892 20 0 EHADLO CN(CC1CC1)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052073151 1018719872 /nfs/dbraw/zinc/71/98/72/1018719872.db2.gz JTSPVERMDAQUPW-GOSISDBHSA-N 1 2 346.521 3.626 20 0 EHADLO CN(CC1CC1)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052073151 1018719884 /nfs/dbraw/zinc/71/98/84/1018719884.db2.gz JTSPVERMDAQUPW-GOSISDBHSA-N 1 2 346.521 3.626 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000052105674 1018731401 /nfs/dbraw/zinc/73/14/01/1018731401.db2.gz NEGBMPLVWROJAM-OAHLLOKOSA-N 1 2 327.255 3.753 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000052105674 1018731419 /nfs/dbraw/zinc/73/14/19/1018731419.db2.gz NEGBMPLVWROJAM-OAHLLOKOSA-N 1 2 327.255 3.753 20 0 EHADLO CCc1nocc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614352931 1018742362 /nfs/dbraw/zinc/74/23/62/1018742362.db2.gz HFHFZSCVIIZQFG-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nc2ccccc2cc1Br ZINC000656148264 1018782712 /nfs/dbraw/zinc/78/27/12/1018782712.db2.gz HURKEPSKKNEDGA-UHFFFAOYSA-N 1 2 345.244 3.720 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000052247660 1018790222 /nfs/dbraw/zinc/79/02/22/1018790222.db2.gz WASHWNOMRMHQRC-SFHVURJKSA-N 1 2 345.826 3.700 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000052247660 1018790230 /nfs/dbraw/zinc/79/02/30/1018790230.db2.gz WASHWNOMRMHQRC-SFHVURJKSA-N 1 2 345.826 3.700 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052452943 1018814868 /nfs/dbraw/zinc/81/48/68/1018814868.db2.gz VNYHHQIZLLAWDO-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052452943 1018814889 /nfs/dbraw/zinc/81/48/89/1018814889.db2.gz VNYHHQIZLLAWDO-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO CO[C@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCC1 ZINC000614354838 1018833993 /nfs/dbraw/zinc/83/39/93/1018833993.db2.gz ZTIKZBLNOAVLIP-SFHVURJKSA-N 1 2 339.439 3.640 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCSC[C@@H]3C3CCC3)n2)cc1 ZINC000419359795 1018849664 /nfs/dbraw/zinc/84/96/64/1018849664.db2.gz KWCNDKGQPJMPMU-QGZVFWFLSA-N 1 2 343.496 3.572 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCSC[C@@H]3C3CCC3)n2)cc1 ZINC000419359795 1018849681 /nfs/dbraw/zinc/84/96/81/1018849681.db2.gz KWCNDKGQPJMPMU-QGZVFWFLSA-N 1 2 343.496 3.572 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000052164256 1018850710 /nfs/dbraw/zinc/85/07/10/1018850710.db2.gz QMIBUVVQXKZJFN-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000052164256 1018850720 /nfs/dbraw/zinc/85/07/20/1018850720.db2.gz QMIBUVVQXKZJFN-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(CC(C)C)CC(C)C)c1C ZINC000728952009 1018885052 /nfs/dbraw/zinc/88/50/52/1018885052.db2.gz IMZJIABQLLKECU-UHFFFAOYSA-N 1 2 335.492 3.967 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1cscc1Br)c1ccccc1F ZINC000576404268 1018938251 /nfs/dbraw/zinc/93/82/51/1018938251.db2.gz GJHIQKZSIUPAKP-XPTSAGLGSA-N 1 2 344.249 3.861 20 0 EHADLO Cc1cc(F)c(Br)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000576402427 1018942422 /nfs/dbraw/zinc/94/24/22/1018942422.db2.gz FXHPWEJWJKCCCT-SNVBAGLBSA-N 1 2 340.196 3.683 20 0 EHADLO Cc1ncc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(C2CC2)n1 ZINC000614392673 1018951761 /nfs/dbraw/zinc/95/17/61/1018951761.db2.gz ZRAGIOXVJAAGFZ-INIZCTEOSA-N 1 2 347.422 3.546 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000047798096 1018989636 /nfs/dbraw/zinc/98/96/36/1018989636.db2.gz VWZJDWRNOCVWKA-QWRGUYRKSA-N 1 2 341.242 3.639 20 0 EHADLO CCCCC[C@@](C)(CC)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767303 1018996784 /nfs/dbraw/zinc/99/67/84/1018996784.db2.gz XKSLOBDCZCLALM-QGZVFWFLSA-N 1 2 325.522 3.818 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccsc1)[C@@H](C)c1ccc(F)cc1 ZINC000120562843 1019049066 /nfs/dbraw/zinc/04/90/66/1019049066.db2.gz ADJUWQMNJIJWAS-AWEZNQCLSA-N 1 2 334.460 3.929 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccsc1)[C@@H](C)c1ccc(F)cc1 ZINC000120562843 1019049078 /nfs/dbraw/zinc/04/90/78/1019049078.db2.gz ADJUWQMNJIJWAS-AWEZNQCLSA-N 1 2 334.460 3.929 20 0 EHADLO Cn1nnc2cc(C[N@@H+]3CCc4c(ccc(Cl)c4Cl)C3)ccc21 ZINC000513152070 1019126520 /nfs/dbraw/zinc/12/65/20/1019126520.db2.gz BKWQCAHPBJKSRA-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO Cn1nnc2cc(C[N@H+]3CCc4c(ccc(Cl)c4Cl)C3)ccc21 ZINC000513152070 1019126522 /nfs/dbraw/zinc/12/65/22/1019126522.db2.gz BKWQCAHPBJKSRA-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO CCOc1cc(C[N@H+](C)C(C)(C)C(=O)OC)ccc1OCC(C)C ZINC000513151254 1019127088 /nfs/dbraw/zinc/12/70/88/1019127088.db2.gz WIEFVVFMEKQSFS-UHFFFAOYSA-N 1 2 337.460 3.504 20 0 EHADLO CCOc1cc(C[N@@H+](C)C(C)(C)C(=O)OC)ccc1OCC(C)C ZINC000513151254 1019127098 /nfs/dbraw/zinc/12/70/98/1019127098.db2.gz WIEFVVFMEKQSFS-UHFFFAOYSA-N 1 2 337.460 3.504 20 0 EHADLO CCCOc1c(C[NH2+][C@H](C)c2nccn2CC)cccc1OCC ZINC000449563724 1032813590 /nfs/dbraw/zinc/81/35/90/1032813590.db2.gz YBVSTKAVOVAWPN-OAHLLOKOSA-N 1 2 331.460 3.941 20 0 EHADLO CC(=O)c1c(F)cccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052712533 1019206541 /nfs/dbraw/zinc/20/65/41/1019206541.db2.gz FHEVYLFMWIWQRQ-RMKNXTFCSA-N 1 2 338.426 3.864 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCc2sc(Cl)cc21 ZINC000580385948 1019240225 /nfs/dbraw/zinc/24/02/25/1019240225.db2.gz OZDMHRXLBNUWNH-LBPRGKRZSA-N 1 2 346.843 3.536 20 0 EHADLO C[C@@H]1[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C[C@@H]1c1ccccc1 ZINC000471576521 1019347256 /nfs/dbraw/zinc/34/72/56/1019347256.db2.gz DDLLVAOGBGSHEC-SNRMKQJTSA-N 1 2 348.450 3.666 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)c2nccn21 ZINC000449569432 1032822293 /nfs/dbraw/zinc/82/22/93/1032822293.db2.gz HCKGVOODKAMWFR-RHSMWYFYSA-N 1 2 338.480 3.920 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(OCC(F)(F)F)cn2)c(C)[nH+]1 ZINC000433580778 1019392102 /nfs/dbraw/zinc/39/21/02/1019392102.db2.gz BYGMJOHNILNBIK-UHFFFAOYSA-N 1 2 339.317 3.595 20 0 EHADLO CCc1cccc(CC)c1S(=O)(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606753110 1032830027 /nfs/dbraw/zinc/83/00/27/1032830027.db2.gz HHHLJDUUJQVRDU-UHFFFAOYSA-N 1 2 343.452 3.568 20 0 EHADLO Cc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)c(Br)c1 ZINC000397007362 1032830420 /nfs/dbraw/zinc/83/04/20/1032830420.db2.gz HGWBGJZSXZHRBZ-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2cc(C)ccc2C)c1C ZINC000050254163 1019473919 /nfs/dbraw/zinc/47/39/19/1019473919.db2.gz QSUPEPPDCUWMAW-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000513246793 1019475841 /nfs/dbraw/zinc/47/58/41/1019475841.db2.gz CUPQSJZNVJHILW-LBPRGKRZSA-N 1 2 333.382 3.773 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C(C)(C)c2ccc(CC)cc2)cs1 ZINC000580535818 1019579599 /nfs/dbraw/zinc/57/95/99/1019579599.db2.gz ZODIUHIUJWAMST-UHFFFAOYSA-N 1 2 332.469 3.907 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2cc(-c3ccco3)on2)CC1 ZINC000513380158 1019582685 /nfs/dbraw/zinc/58/26/85/1019582685.db2.gz CEKMVMZTQGKHJJ-UHFFFAOYSA-N 1 2 341.386 3.786 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2cc(-c3ccco3)on2)CC1 ZINC000513380158 1019582698 /nfs/dbraw/zinc/58/26/98/1019582698.db2.gz CEKMVMZTQGKHJJ-UHFFFAOYSA-N 1 2 341.386 3.786 20 0 EHADLO Fc1ccc([C@@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000433771528 1019586102 /nfs/dbraw/zinc/58/61/02/1019586102.db2.gz QWNAQMPRVSAAKZ-MRXNPFEDSA-N 1 2 340.446 3.990 20 0 EHADLO Fc1ccc([C@@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000433771528 1019586121 /nfs/dbraw/zinc/58/61/21/1019586121.db2.gz QWNAQMPRVSAAKZ-MRXNPFEDSA-N 1 2 340.446 3.990 20 0 EHADLO COCCSc1ccc([C@@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433766578 1019596818 /nfs/dbraw/zinc/59/68/18/1019596818.db2.gz OFFDZBXYFRVIMQ-GFCCVEGCSA-N 1 2 342.468 3.600 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000255593051 1019625038 /nfs/dbraw/zinc/62/50/38/1019625038.db2.gz NDDVAJMRMLQCAS-PLNGDYQASA-N 1 2 344.484 3.514 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1c[nH+]cn1C ZINC000291767306 1019639295 /nfs/dbraw/zinc/63/92/95/1019639295.db2.gz FDEXSTYHASXHEH-SNVBAGLBSA-N 1 2 341.242 3.630 20 0 EHADLO CC[C@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)c(C)c1 ZINC000564834685 1019677062 /nfs/dbraw/zinc/67/70/62/1019677062.db2.gz WQFZFHOKBISZFN-XHDPSFHLSA-N 1 2 335.498 3.981 20 0 EHADLO C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)c2ncnn21 ZINC000664185251 1019695447 /nfs/dbraw/zinc/69/54/47/1019695447.db2.gz BGVTYRDDRLAPOC-RNCFNFMXSA-N 1 2 333.317 3.963 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)s1 ZINC000683996327 1019697493 /nfs/dbraw/zinc/69/74/93/1019697493.db2.gz PGQYPKHQNMNYLD-NEPJUHHUSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)s1 ZINC000683996327 1019697498 /nfs/dbraw/zinc/69/74/98/1019697498.db2.gz PGQYPKHQNMNYLD-NEPJUHHUSA-N 1 2 345.306 3.544 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C(F)(F)F ZINC000528804054 1032849654 /nfs/dbraw/zinc/84/96/54/1032849654.db2.gz YOXGICBNUVMVMM-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C(F)(F)F ZINC000528804054 1032849670 /nfs/dbraw/zinc/84/96/70/1032849670.db2.gz YOXGICBNUVMVMM-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)ccc(O)c2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000513489587 1019736219 /nfs/dbraw/zinc/73/62/19/1019736219.db2.gz JDCRVTCPPPCSFV-NQCMUKECSA-N 1 2 337.410 3.840 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)ccc(O)c2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000513489587 1019736237 /nfs/dbraw/zinc/73/62/37/1019736237.db2.gz JDCRVTCPPPCSFV-NQCMUKECSA-N 1 2 337.410 3.840 20 0 EHADLO CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000664202623 1019747404 /nfs/dbraw/zinc/74/74/04/1019747404.db2.gz WCWPPNRILPTTLD-INMHGKMJSA-N 1 2 335.492 3.701 20 0 EHADLO Fc1cc(C[NH+]2CC3(CC3(F)F)C2)ccc1OCC(F)(F)F ZINC000656265708 1019785641 /nfs/dbraw/zinc/78/56/41/1019785641.db2.gz YGRMRZDTEHOHJS-UHFFFAOYSA-N 1 2 325.252 3.608 20 0 EHADLO O[C@]1(C(F)(F)F)CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001203399323 1019793458 /nfs/dbraw/zinc/79/34/58/1019793458.db2.gz UEZPDVDOPHKCOU-CYBMUJFWSA-N 1 2 325.733 3.758 20 0 EHADLO O[C@]1(C(F)(F)F)CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001203399323 1019793474 /nfs/dbraw/zinc/79/34/74/1019793474.db2.gz UEZPDVDOPHKCOU-CYBMUJFWSA-N 1 2 325.733 3.758 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)oc1C ZINC000449585379 1032854223 /nfs/dbraw/zinc/85/42/23/1032854223.db2.gz LEHMXYHEQVMJKT-ZDUSSCGKSA-N 1 2 339.313 3.569 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000580700853 1019871224 /nfs/dbraw/zinc/87/12/24/1019871224.db2.gz DSWKKLSJTXZYRC-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000580700853 1019871241 /nfs/dbraw/zinc/87/12/41/1019871241.db2.gz DSWKKLSJTXZYRC-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000047992852 1019879782 /nfs/dbraw/zinc/87/97/82/1019879782.db2.gz WRQRBPFAJANLSN-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO O=C(CC/C=C\c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255223844 1019925481 /nfs/dbraw/zinc/92/54/81/1019925481.db2.gz XESSUDNLIKJKDE-YWEYNIOJSA-N 1 2 331.419 3.982 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(COC(C)C)cc2)c1C ZINC000050449149 1019928634 /nfs/dbraw/zinc/92/86/34/1019928634.db2.gz MMOSGWKCFUYOHV-UHFFFAOYSA-N 1 2 342.439 3.562 20 0 EHADLO O=C(Nc1cccc2ccncc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000580737950 1019941309 /nfs/dbraw/zinc/94/13/09/1019941309.db2.gz SGOWSMSJCSPOOG-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cn1 ZINC000580760562 1019991449 /nfs/dbraw/zinc/99/14/49/1019991449.db2.gz OLRJBBNIGTURNS-LLVKDONJSA-N 1 2 345.834 3.617 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255757599 1020002319 /nfs/dbraw/zinc/00/23/19/1020002319.db2.gz UPWVGALQQOMFSR-XFXZXTDPSA-N 1 2 349.459 3.854 20 0 EHADLO O=C(Nc1ccc(-c2ncon2)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000345201449 1020024826 /nfs/dbraw/zinc/02/48/26/1020024826.db2.gz JXTDYTUXOQIWDZ-UHFFFAOYSA-N 1 2 346.350 3.566 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043810 1020039779 /nfs/dbraw/zinc/03/97/79/1020039779.db2.gz GEYOVXCDHYDOIG-SUMWQHHRSA-N 1 2 344.480 3.745 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccs2)C2CC2)o1 ZINC000048043810 1020039791 /nfs/dbraw/zinc/03/97/91/1020039791.db2.gz GEYOVXCDHYDOIG-SUMWQHHRSA-N 1 2 344.480 3.745 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2cccc3c2C[N@H+](C)C3)cn1 ZINC000580815012 1020059237 /nfs/dbraw/zinc/05/92/37/1020059237.db2.gz KXNFLWKOGTXYCM-UHFFFAOYSA-N 1 2 338.455 3.516 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2cccc3c2C[N@@H+](C)C3)cn1 ZINC000580815012 1020059248 /nfs/dbraw/zinc/05/92/48/1020059248.db2.gz KXNFLWKOGTXYCM-UHFFFAOYSA-N 1 2 338.455 3.516 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000834649950 1020061652 /nfs/dbraw/zinc/06/16/52/1020061652.db2.gz CYYBURTVIGMDTA-JQWIXIFHSA-N 1 2 341.274 3.944 20 0 EHADLO Cc1cn2cc(NC(=O)CCN3c4ccccc4CC[C@H]3C)ccc2[nH+]1 ZINC000345258248 1020086989 /nfs/dbraw/zinc/08/69/89/1020086989.db2.gz YZLVMBGFYWOGNW-MRXNPFEDSA-N 1 2 348.450 3.813 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cnn1C(C)(C)C ZINC000345278371 1020106277 /nfs/dbraw/zinc/10/62/77/1020106277.db2.gz SQBCOQNLMSGTDF-ZDUSSCGKSA-N 1 2 325.460 3.982 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C ZINC000280168428 1020147776 /nfs/dbraw/zinc/14/77/76/1020147776.db2.gz YZBXESOMHKCSPM-DZGCQCFKSA-N 1 2 339.439 3.965 20 0 EHADLO Cn1ncc(NCc2c[nH+]cn2Cc2ccccc2)c1-c1ccccc1 ZINC000345340929 1020160084 /nfs/dbraw/zinc/16/00/84/1020160084.db2.gz NFSILCQVKHZJAU-UHFFFAOYSA-N 1 2 343.434 3.944 20 0 EHADLO C[C@@H]1C[C@H]1c1cc(NC(=O)CCCn2cc[nH+]c2)n(-c2ccccc2)n1 ZINC000157791912 1032883216 /nfs/dbraw/zinc/88/32/16/1032883216.db2.gz BHIOKLVXCMEANZ-NVXWUHKLSA-N 1 2 349.438 3.611 20 0 EHADLO C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ncccc1F ZINC000528833503 1032884509 /nfs/dbraw/zinc/88/45/09/1032884509.db2.gz XUZUCCSUQRGHRH-LBPRGKRZSA-N 1 2 338.382 3.667 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000510360703 1020286521 /nfs/dbraw/zinc/28/65/21/1020286521.db2.gz ZBBSAUQUALEXNA-OALUTQOASA-N 1 2 337.467 3.606 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cc(Br)ccc2F)c1Cl ZINC000089232116 1020305166 /nfs/dbraw/zinc/30/51/66/1020305166.db2.gz HVRJRMKREZPTDF-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO C[C@H](CC(=O)NC1CCC(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000581015682 1020355785 /nfs/dbraw/zinc/35/57/85/1020355785.db2.gz ZODSNTJQDHOYDW-MXWWQKGMSA-N 1 2 329.419 3.816 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000933084570 1020408079 /nfs/dbraw/zinc/40/80/79/1020408079.db2.gz SUPDBBPXSNTDIR-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000933084570 1020408085 /nfs/dbraw/zinc/40/80/85/1020408085.db2.gz SUPDBBPXSNTDIR-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO Cc1cccn2cc(C[N@@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000610477053 1020420634 /nfs/dbraw/zinc/42/06/34/1020420634.db2.gz GNPZUBWWHXGDMY-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccn2cc(C[N@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000610477053 1020420637 /nfs/dbraw/zinc/42/06/37/1020420637.db2.gz GNPZUBWWHXGDMY-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO CC(C)c1ccccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000345680567 1020448383 /nfs/dbraw/zinc/44/83/83/1020448383.db2.gz HEWAPIVCHNITQN-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO O[C@H](C1CC[NH+](Cc2cccc(Cl)c2F)CC1)C(F)(F)F ZINC000093766784 1032902899 /nfs/dbraw/zinc/90/28/99/1032902899.db2.gz RZHUSHWCWJVZBO-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000340857402 1020470952 /nfs/dbraw/zinc/47/09/52/1020470952.db2.gz WRABYIJYHXFXAA-UHFFFAOYSA-N 1 2 348.811 3.541 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc3c(C)c(C)[nH]c32)c1C ZINC000050770761 1020480990 /nfs/dbraw/zinc/48/09/90/1020480990.db2.gz IJIXCLOWDVFUDA-UHFFFAOYSA-N 1 2 337.423 3.735 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C)c(NC(=O)N(C)C)c3)n2c1 ZINC000280596019 1020502397 /nfs/dbraw/zinc/50/23/97/1020502397.db2.gz UFJCCWOCRZGKCE-UHFFFAOYSA-N 1 2 337.427 3.657 20 0 EHADLO OCC[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OCC1CC1 ZINC000280596514 1020503892 /nfs/dbraw/zinc/50/38/92/1020503892.db2.gz YDYXHHALJTYTPO-UHFFFAOYSA-N 1 2 346.858 3.518 20 0 EHADLO OCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OCC1CC1 ZINC000280596514 1020503896 /nfs/dbraw/zinc/50/38/96/1020503896.db2.gz YDYXHHALJTYTPO-UHFFFAOYSA-N 1 2 346.858 3.518 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1Br ZINC000581199264 1020516550 /nfs/dbraw/zinc/51/65/50/1020516550.db2.gz GLMPXLSAQLSBLP-LLVKDONJSA-N 1 2 336.233 3.606 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1Br ZINC000581199264 1020516556 /nfs/dbraw/zinc/51/65/56/1020516556.db2.gz GLMPXLSAQLSBLP-LLVKDONJSA-N 1 2 336.233 3.606 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2cccc(C(F)F)c2)C2CCOCC2)n1 ZINC000345838094 1020567190 /nfs/dbraw/zinc/56/71/90/1020567190.db2.gz QZIGDFMIMYGPCY-OAHLLOKOSA-N 1 2 337.370 3.573 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000126330691 1020583021 /nfs/dbraw/zinc/58/30/21/1020583021.db2.gz SYNCMPSKHGJSRP-KRWDZBQOSA-N 1 2 344.499 3.982 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000126370148 1020617416 /nfs/dbraw/zinc/61/74/16/1020617416.db2.gz PVCZIBWGJJOMQF-NRFANRHFSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000126370148 1020617424 /nfs/dbraw/zinc/61/74/24/1020617424.db2.gz PVCZIBWGJJOMQF-NRFANRHFSA-N 1 2 333.435 3.754 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)c(C)c1OC ZINC000340939804 1020655874 /nfs/dbraw/zinc/65/58/74/1020655874.db2.gz NSMOIFUXTFJJQG-ZDUSSCGKSA-N 1 2 327.428 3.583 20 0 EHADLO CC[C@H]1CCCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042469705 1020790158 /nfs/dbraw/zinc/79/01/58/1020790158.db2.gz LEKYDRTWKZUXBH-INIZCTEOSA-N 1 2 331.485 3.667 20 0 EHADLO OC[C@@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccccc1 ZINC000581400662 1020804638 /nfs/dbraw/zinc/80/46/38/1020804638.db2.gz VUJGCNCNLJADKB-LJQANCHMSA-N 1 2 334.419 3.849 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCCCCCC1 ZINC000069815995 1020804670 /nfs/dbraw/zinc/80/46/70/1020804670.db2.gz FUOJSKGUCRLLEK-UHFFFAOYSA-N 1 2 342.443 3.760 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340999220 1020805407 /nfs/dbraw/zinc/80/54/07/1020805407.db2.gz NVTQSVZIVOOEOS-QUCCMNQESA-N 1 2 331.419 3.682 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000341009466 1020839979 /nfs/dbraw/zinc/83/99/79/1020839979.db2.gz GSADEUHBWFQBDN-GFCCVEGCSA-N 1 2 340.427 3.590 20 0 EHADLO CC(C)c1nccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000172773918 1032937308 /nfs/dbraw/zinc/93/73/08/1032937308.db2.gz MYQDOWWVWOATFV-UHFFFAOYSA-N 1 2 339.487 3.747 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC2CCCCC2)c1C ZINC000060546550 1020896052 /nfs/dbraw/zinc/89/60/52/1020896052.db2.gz QOEKFGWNHBMLKC-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000656569072 1020931039 /nfs/dbraw/zinc/93/10/39/1020931039.db2.gz YOJUUKYHCNDFDI-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1ccc(C)cn1 ZINC000656569072 1020931043 /nfs/dbraw/zinc/93/10/43/1020931043.db2.gz YOJUUKYHCNDFDI-UHFFFAOYSA-N 1 2 326.469 3.917 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000341136552 1021000591 /nfs/dbraw/zinc/00/05/91/1021000591.db2.gz ZVPJRDSRSIMECQ-PRHODGIISA-N 1 2 331.218 3.546 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000341136554 1021000641 /nfs/dbraw/zinc/00/06/41/1021000641.db2.gz ZVPJRDSRSIMECQ-UFBFGSQYSA-N 1 2 331.218 3.546 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000341180436 1021051114 /nfs/dbraw/zinc/05/11/14/1021051114.db2.gz NTEGCOWDLGNGAL-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341186339 1021059052 /nfs/dbraw/zinc/05/90/52/1021059052.db2.gz TZBPMCZEHYUXBR-HNNXBMFYSA-N 1 2 346.500 3.545 20 0 EHADLO CCN1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1=O ZINC000656642367 1021072971 /nfs/dbraw/zinc/07/29/71/1021072971.db2.gz OWOLHBWJMQODGO-MSOLQXFVSA-N 1 2 346.833 3.779 20 0 EHADLO FC(F)Oc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000094134591 1032952673 /nfs/dbraw/zinc/95/26/73/1032952673.db2.gz VEQAYKJGZHWBBL-UHFFFAOYSA-N 1 2 330.338 3.540 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc(F)cc1Cl ZINC000656682541 1021163000 /nfs/dbraw/zinc/16/30/00/1021163000.db2.gz UFGFEYFCXOIFSP-DTWKUNHWSA-N 1 2 327.812 3.613 20 0 EHADLO COCc1csc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000656685012 1021166461 /nfs/dbraw/zinc/16/64/61/1021166461.db2.gz IFXIHEXBWDHHGC-ZDUSSCGKSA-N 1 2 343.452 3.719 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccccc2)cs1 ZINC000075888160 1021188991 /nfs/dbraw/zinc/18/89/91/1021188991.db2.gz VCMUERMOMLGBEC-CQSZACIVSA-N 1 2 347.484 3.701 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccccc2)cs1 ZINC000075888160 1021188994 /nfs/dbraw/zinc/18/89/94/1021188994.db2.gz VCMUERMOMLGBEC-CQSZACIVSA-N 1 2 347.484 3.701 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2cnc(Br)s2)C1 ZINC000295979004 1021228248 /nfs/dbraw/zinc/22/82/48/1021228248.db2.gz KYLLHTCWHCFPGO-SSDOTTSWSA-N 1 2 329.185 3.680 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2cnc(Br)s2)C1 ZINC000295979004 1021228263 /nfs/dbraw/zinc/22/82/63/1021228263.db2.gz KYLLHTCWHCFPGO-SSDOTTSWSA-N 1 2 329.185 3.680 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(F)c2ccccc2c1 ZINC000507385485 1021238005 /nfs/dbraw/zinc/23/80/05/1021238005.db2.gz ITKYMFXIXKSNQM-UHFFFAOYSA-N 1 2 337.398 3.784 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)o2)cc1 ZINC000341269205 1021247900 /nfs/dbraw/zinc/24/79/00/1021247900.db2.gz CBOTWIDKUAVHIB-CYBMUJFWSA-N 1 2 337.379 3.625 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1)c1ccccc1 ZINC000518519650 1021272960 /nfs/dbraw/zinc/27/29/60/1021272960.db2.gz CHHQCRRPRHPDGM-MRXNPFEDSA-N 1 2 347.418 3.720 20 0 EHADLO CCCOc1ccc(CNc2ccc[nH+]c2N2CCOCC2)c(C)c1 ZINC000656769074 1021307627 /nfs/dbraw/zinc/30/76/27/1021307627.db2.gz BBZIHYGIFDFXDG-UHFFFAOYSA-N 1 2 341.455 3.628 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(COC)cs1 ZINC000656771875 1021317407 /nfs/dbraw/zinc/31/74/07/1021317407.db2.gz HIALYAWJUNKPRF-UHFFFAOYSA-N 1 2 331.441 3.503 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)cc2OC(C)(C)C)on1 ZINC000602569925 1032979975 /nfs/dbraw/zinc/97/99/75/1032979975.db2.gz QVUKXSPNZQJRSW-UHFFFAOYSA-N 1 2 346.427 3.627 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCC(F)(F)CC1 ZINC000625769861 1021394743 /nfs/dbraw/zinc/39/47/43/1021394743.db2.gz NWILLTGEECMWMS-LLVKDONJSA-N 1 2 339.411 3.745 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC(F)(F)CC1 ZINC000625769861 1021394761 /nfs/dbraw/zinc/39/47/61/1021394761.db2.gz NWILLTGEECMWMS-LLVKDONJSA-N 1 2 339.411 3.745 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(F)(F)F ZINC000366794149 1021418206 /nfs/dbraw/zinc/41/82/06/1021418206.db2.gz OOTIUECNLCRDMG-WDMOLILDSA-N 1 2 345.409 3.731 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(F)(F)F ZINC000366794149 1021418216 /nfs/dbraw/zinc/41/82/16/1021418216.db2.gz OOTIUECNLCRDMG-WDMOLILDSA-N 1 2 345.409 3.731 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)cc2O[C@@H](C)CC)on1 ZINC000602569533 1032979019 /nfs/dbraw/zinc/97/90/19/1032979019.db2.gz SVDMOHNYIFDNDJ-AWEZNQCLSA-N 1 2 346.427 3.627 20 0 EHADLO Cn1c2ccccc2nc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000427513560 1021446381 /nfs/dbraw/zinc/44/63/81/1021446381.db2.gz HXNKQLFXWROEKZ-UHFFFAOYSA-N 1 2 346.887 3.610 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000505938048 1021494137 /nfs/dbraw/zinc/49/41/37/1021494137.db2.gz JUJGHDPYVISBDG-CEXWTWQISA-N 1 2 341.499 3.905 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cccs1 ZINC000437096040 1021551315 /nfs/dbraw/zinc/55/13/15/1021551315.db2.gz MLNLXCHSQHWNCS-OAHLLOKOSA-N 1 2 330.432 3.768 20 0 EHADLO CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000516574319 1021559858 /nfs/dbraw/zinc/55/98/58/1021559858.db2.gz MZIIHVRNGZARSO-ZHALLVOQSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518841901 1021619138 /nfs/dbraw/zinc/61/91/38/1021619138.db2.gz MVDDMBMSAMDDIH-LPHOPBHVSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(C)c[nH+]1 ZINC000518864331 1021628974 /nfs/dbraw/zinc/62/89/74/1021628974.db2.gz CVPUYRSDSWZKAI-CYBMUJFWSA-N 1 2 329.366 3.563 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(-c3ccco3)cc2F)c(C)c[nH+]1 ZINC000519744938 1021654552 /nfs/dbraw/zinc/65/45/52/1021654552.db2.gz FPDZTPZSSBWCMS-UHFFFAOYSA-N 1 2 339.370 3.841 20 0 EHADLO Cc1cc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000440674550 1021704504 /nfs/dbraw/zinc/70/45/04/1021704504.db2.gz KKIWVFILEUJEJD-IIMJZQEZSA-N 1 2 327.472 3.836 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000519829145 1021708102 /nfs/dbraw/zinc/70/81/02/1021708102.db2.gz VUBSJRCMNNOTOO-HZMBPMFUSA-N 1 2 345.752 3.907 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccc(OCC5CC5)nc4)no3)ccn12 ZINC000519000085 1021750761 /nfs/dbraw/zinc/75/07/61/1021750761.db2.gz SQILTAIGUNZNFH-UHFFFAOYSA-N 1 2 347.378 3.544 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccccc2C)on1 ZINC000519906542 1021756984 /nfs/dbraw/zinc/75/69/84/1021756984.db2.gz IVMRRAARAUYKCR-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccccc2C)on1 ZINC000519906542 1021756999 /nfs/dbraw/zinc/75/69/99/1021756999.db2.gz IVMRRAARAUYKCR-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(Br)cn1 ZINC000684423687 1021783505 /nfs/dbraw/zinc/78/35/05/1021783505.db2.gz BEYSNGGKVQZRPG-VIFPVBQESA-N 1 2 338.274 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nc(C(C)C)cs2)c1C ZINC000051234485 1021836932 /nfs/dbraw/zinc/83/69/32/1021836932.db2.gz XPTFQWRQEMHXJO-UHFFFAOYSA-N 1 2 334.445 3.609 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nc3ccccc3s2)c1C ZINC000051234384 1021837635 /nfs/dbraw/zinc/83/76/35/1021837635.db2.gz RBSZENRENHIPRB-UHFFFAOYSA-N 1 2 342.424 3.638 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)CC(C)C)CC2)c1 ZINC000439952056 1021853156 /nfs/dbraw/zinc/85/31/56/1021853156.db2.gz RYCXCZSZSCZQQF-KRWDZBQOSA-N 1 2 346.515 3.973 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280797765 1021881098 /nfs/dbraw/zinc/88/10/98/1021881098.db2.gz RWQBFOKSEWVUAV-JKSUJKDBSA-N 1 2 344.846 3.508 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCOC3CCCCC3)c12 ZINC000327744685 1033014097 /nfs/dbraw/zinc/01/40/97/1033014097.db2.gz OKFWOAIJZNLQLT-UHFFFAOYSA-N 1 2 337.427 3.577 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nnc(C(F)(F)F)s3)cn2c1 ZINC000188159958 1021911333 /nfs/dbraw/zinc/91/13/33/1021911333.db2.gz LLMMZVBTPUGTGX-UHFFFAOYSA-N 1 2 330.360 3.805 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000449673977 1033014953 /nfs/dbraw/zinc/01/49/53/1033014953.db2.gz RJNOOPSEQSBGPN-UHFFFAOYSA-N 1 2 329.753 3.692 20 0 EHADLO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1C ZINC000506060731 1021919134 /nfs/dbraw/zinc/91/91/34/1021919134.db2.gz VZPBMJPXQAJTIQ-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cc1OC ZINC000925065998 1021952602 /nfs/dbraw/zinc/95/26/02/1021952602.db2.gz XDMTZALGSBDSFG-OLZOCXBDSA-N 1 2 347.434 3.788 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c2nccn21 ZINC000517072983 1021982364 /nfs/dbraw/zinc/98/23/64/1021982364.db2.gz CZUMVAYBGPCCCN-WKPIXPDZSA-N 1 2 340.254 3.909 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1cccnc1)C1CC1 ZINC000341465787 1021983777 /nfs/dbraw/zinc/98/37/77/1021983777.db2.gz SRUQJTVBBGWCFZ-IBGZPJMESA-N 1 2 346.434 3.518 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)no1 ZINC000607167598 1033021365 /nfs/dbraw/zinc/02/13/65/1033021365.db2.gz WFATYZNYBHXORY-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCOC1 ZINC000437619395 1022006473 /nfs/dbraw/zinc/00/64/73/1022006473.db2.gz IAFANAJRGXHTEA-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCOC1 ZINC000437619395 1022006487 /nfs/dbraw/zinc/00/64/87/1022006487.db2.gz IAFANAJRGXHTEA-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO CCCc1csc(C[NH2+]Cc2ccncc2OCC(F)(F)F)n1 ZINC000341497658 1022036388 /nfs/dbraw/zinc/03/63/88/1022036388.db2.gz IPWIJADSCUTYRZ-UHFFFAOYSA-N 1 2 345.390 3.722 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000517146613 1022069319 /nfs/dbraw/zinc/06/93/19/1022069319.db2.gz DNGLVXSOAMIGTO-SJORKVTESA-N 1 2 332.492 3.788 20 0 EHADLO COCCOc1ccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)o1 ZINC000891605736 1022086441 /nfs/dbraw/zinc/08/64/41/1022086441.db2.gz FDNHUTQNKHZNRO-GFCCVEGCSA-N 1 2 325.355 3.776 20 0 EHADLO COCCOc1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)o1 ZINC000891605736 1022086459 /nfs/dbraw/zinc/08/64/59/1022086459.db2.gz FDNHUTQNKHZNRO-GFCCVEGCSA-N 1 2 325.355 3.776 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000517197713 1022109274 /nfs/dbraw/zinc/10/92/74/1022109274.db2.gz WWMQSGKEQWIGDZ-GFCCVEGCSA-N 1 2 339.407 3.633 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000517197713 1022109279 /nfs/dbraw/zinc/10/92/79/1022109279.db2.gz WWMQSGKEQWIGDZ-GFCCVEGCSA-N 1 2 339.407 3.633 20 0 EHADLO Clc1ccc(OCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000520309197 1022116041 /nfs/dbraw/zinc/11/60/41/1022116041.db2.gz HKZRUYLLFREHGY-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO Clc1ccc(OCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000520309197 1022116050 /nfs/dbraw/zinc/11/60/50/1022116050.db2.gz HKZRUYLLFREHGY-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc2cc[nH]c21 ZINC000517212383 1022125188 /nfs/dbraw/zinc/12/51/88/1022125188.db2.gz JVXDRZRTTXOOOF-UHFFFAOYSA-N 1 2 339.443 3.871 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000247401090 1022130973 /nfs/dbraw/zinc/13/09/73/1022130973.db2.gz BFUFWIDOMYRCKN-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000247401090 1022130980 /nfs/dbraw/zinc/13/09/80/1022130980.db2.gz BFUFWIDOMYRCKN-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO COc1ccc2c(c1)N(Cc1[nH+]cc(C)c(OC)c1C)C[C@@H](C)O2 ZINC000441322777 1022152786 /nfs/dbraw/zinc/15/27/86/1022152786.db2.gz HVZRFFMIMXSXIV-CYBMUJFWSA-N 1 2 328.412 3.503 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cs1 ZINC000437803387 1022155053 /nfs/dbraw/zinc/15/50/53/1022155053.db2.gz SRKWKLPIVCFKAS-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO c1cc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cs1 ZINC000437803387 1022155067 /nfs/dbraw/zinc/15/50/67/1022155067.db2.gz SRKWKLPIVCFKAS-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000548298360 1022159859 /nfs/dbraw/zinc/15/98/59/1022159859.db2.gz ZKTGOJPHWVSNPC-AWEZNQCLSA-N 1 2 332.400 3.674 20 0 EHADLO Cc1ccc(C)c([C@@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccccc2)c1 ZINC000187723715 1022227199 /nfs/dbraw/zinc/22/71/99/1022227199.db2.gz FURNAILBPQUGCF-FQEVSTJZSA-N 1 2 334.419 3.875 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)s1)c1cccs1 ZINC000015294367 1022301581 /nfs/dbraw/zinc/30/15/81/1022301581.db2.gz NKSCLKHNCHUDEV-JTQLQIEISA-N 1 2 328.890 3.772 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1)c1cccs1 ZINC000015294367 1022301596 /nfs/dbraw/zinc/30/15/96/1022301596.db2.gz NKSCLKHNCHUDEV-JTQLQIEISA-N 1 2 328.890 3.772 20 0 EHADLO Cc1cc(N[C@@H](C)c2nnc3n2CCCCC3)nc(C2CCC2)[nH+]1 ZINC000891684976 1022318399 /nfs/dbraw/zinc/31/83/99/1022318399.db2.gz JTYKTNLRLLATRT-ZDUSSCGKSA-N 1 2 326.448 3.544 20 0 EHADLO CCC1(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000426656356 1022332025 /nfs/dbraw/zinc/33/20/25/1022332025.db2.gz XRHFMOYXBLJDTI-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO CCC1(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000426656356 1022332042 /nfs/dbraw/zinc/33/20/42/1022332042.db2.gz XRHFMOYXBLJDTI-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000438044846 1022346568 /nfs/dbraw/zinc/34/65/68/1022346568.db2.gz OABADRDXXMOOTM-ZWKOTPCHSA-N 1 2 341.480 3.681 20 0 EHADLO CCOc1cc(F)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(F)c1 ZINC001143569162 1022390475 /nfs/dbraw/zinc/39/04/75/1022390475.db2.gz UVKMVLVOUABBCI-UHFFFAOYSA-N 1 2 347.352 3.754 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)Oc3ccc(C)cc3)ccc2[nH+]1 ZINC000438112897 1022398854 /nfs/dbraw/zinc/39/88/54/1022398854.db2.gz CVBLGJDPHSZHRK-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO COc1cc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)ccc1OC(C)C ZINC000923773248 1022400943 /nfs/dbraw/zinc/40/09/43/1022400943.db2.gz GOFARXLSLVOYJF-CHWSQXEVSA-N 1 2 340.383 3.527 20 0 EHADLO CCc1cc(N2CCC(c3nc(C4CCC4)no3)CC2)nc(CC)[nH+]1 ZINC000895023229 1022401916 /nfs/dbraw/zinc/40/19/16/1022401916.db2.gz SWWPDVLYFXXEBE-UHFFFAOYSA-N 1 2 341.459 3.636 20 0 EHADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000550390461 1022411131 /nfs/dbraw/zinc/41/11/31/1022411131.db2.gz CNGOZYJZZKPPEL-OAHLLOKOSA-N 1 2 335.835 3.575 20 0 EHADLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000550390461 1022411135 /nfs/dbraw/zinc/41/11/35/1022411135.db2.gz CNGOZYJZZKPPEL-OAHLLOKOSA-N 1 2 335.835 3.575 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000051181939 1022415240 /nfs/dbraw/zinc/41/52/40/1022415240.db2.gz AGURKTTZCWXYOE-CQSZACIVSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@@H]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458891754 1022438959 /nfs/dbraw/zinc/43/89/59/1022438959.db2.gz VPCYDAJXINSKRY-KGLIPLIRSA-N 1 2 346.862 3.856 20 0 EHADLO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)sc2nccc(C)c12 ZINC000328699449 1022470834 /nfs/dbraw/zinc/47/08/34/1022470834.db2.gz MFWZZCFLILIKAB-UHFFFAOYSA-N 1 2 340.452 3.656 20 0 EHADLO CCCCCn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c2ccccc21 ZINC000537472394 1033057530 /nfs/dbraw/zinc/05/75/30/1033057530.db2.gz YGBGBFIAMUZYBF-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO Cc1noc2ncc(CN[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc12 ZINC000894531859 1022493534 /nfs/dbraw/zinc/49/35/34/1022493534.db2.gz GEVVEOWSBOVVJU-BEFAXECRSA-N 1 2 338.455 3.621 20 0 EHADLO O=C(c1ccc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000517616473 1022501762 /nfs/dbraw/zinc/50/17/62/1022501762.db2.gz IZRLCNKNBLLGFO-UHFFFAOYSA-N 1 2 346.430 3.905 20 0 EHADLO CCOCCOCc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349564864 1022516793 /nfs/dbraw/zinc/51/67/93/1022516793.db2.gz MBONOLIEWZLGND-UHFFFAOYSA-N 1 2 340.876 3.639 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2ncc(Cl)s2)cc1OC ZINC000349566491 1022524593 /nfs/dbraw/zinc/52/45/93/1022524593.db2.gz SLBJKNZYLPXKDH-SNVBAGLBSA-N 1 2 326.849 3.973 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H](CC2CC2)c2ccccc2)n1 ZINC000579308747 1022535817 /nfs/dbraw/zinc/53/58/17/1022535817.db2.gz AKIAMRCOUGTZBJ-HNNXBMFYSA-N 1 2 334.261 3.814 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)c2ccc(F)cc2)c1 ZINC000510501965 1022536341 /nfs/dbraw/zinc/53/63/41/1022536341.db2.gz PGFFHVMTMYACMY-HNNXBMFYSA-N 1 2 337.398 3.853 20 0 EHADLO CCC[C@H](OC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000719 1022609849 /nfs/dbraw/zinc/60/98/49/1022609849.db2.gz NVPQSSJPQUXJBG-XIRDDKMYSA-N 1 2 345.443 3.519 20 0 EHADLO CCC[C@H](OC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665000719 1022609858 /nfs/dbraw/zinc/60/98/58/1022609858.db2.gz NVPQSSJPQUXJBG-XIRDDKMYSA-N 1 2 345.443 3.519 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCCC[C@@H]1c1nc3ccccc3n1C)CCC2 ZINC000891770411 1022611442 /nfs/dbraw/zinc/61/14/42/1022611442.db2.gz JJXFQTSIMFKRQJ-LJQANCHMSA-N 1 2 349.482 3.523 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCCC[C@@H]1c1nc3ccccc3n1C)CCC2 ZINC000891770411 1022611447 /nfs/dbraw/zinc/61/14/47/1022611447.db2.gz JJXFQTSIMFKRQJ-LJQANCHMSA-N 1 2 349.482 3.523 20 0 EHADLO CCC/C=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000664999993 1022618647 /nfs/dbraw/zinc/61/86/47/1022618647.db2.gz GLDUFOUOSFOUSZ-ODUBZOQESA-N 1 2 327.428 3.845 20 0 EHADLO CCC/C=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000664999993 1022618652 /nfs/dbraw/zinc/61/86/52/1022618652.db2.gz GLDUFOUOSFOUSZ-ODUBZOQESA-N 1 2 327.428 3.845 20 0 EHADLO CC(C)[C@H]1C[C@@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003921 1022632304 /nfs/dbraw/zinc/63/23/04/1022632304.db2.gz NXDNGUWZCMMQHX-RANZSIQMSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@H]1C[C@@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003921 1022632313 /nfs/dbraw/zinc/63/23/13/1022632313.db2.gz NXDNGUWZCMMQHX-RANZSIQMSA-N 1 2 341.455 3.791 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000345984121 1022664053 /nfs/dbraw/zinc/66/40/53/1022664053.db2.gz CPXPDMLOZVUHHG-KBXIAJHMSA-N 1 2 343.393 3.661 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000172996661 1033071057 /nfs/dbraw/zinc/07/10/57/1033071057.db2.gz PPWOIBMNMYXWJN-RJCHQFKYSA-N 1 2 341.455 3.526 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000438470282 1022682500 /nfs/dbraw/zinc/68/25/00/1022682500.db2.gz IHCBNYOMPJHCGW-ZDUSSCGKSA-N 1 2 349.466 3.976 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000438470282 1022682504 /nfs/dbraw/zinc/68/25/04/1022682504.db2.gz IHCBNYOMPJHCGW-ZDUSSCGKSA-N 1 2 349.466 3.976 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CCCC3CC3)n2)O1 ZINC000665009450 1022688658 /nfs/dbraw/zinc/68/86/58/1022688658.db2.gz JMRDGIJYUFQWRR-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CCCC3CC3)n2)O1 ZINC000665009450 1022688668 /nfs/dbraw/zinc/68/86/68/1022688668.db2.gz JMRDGIJYUFQWRR-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)o1 ZINC000052993881 1022701102 /nfs/dbraw/zinc/70/11/02/1022701102.db2.gz ROANRYNURMZSFE-UHFFFAOYSA-N 1 2 342.483 3.637 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)o1 ZINC000052993881 1022701111 /nfs/dbraw/zinc/70/11/11/1022701111.db2.gz ROANRYNURMZSFE-UHFFFAOYSA-N 1 2 342.483 3.637 20 0 EHADLO CCC[C@@H](OC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012258 1022715081 /nfs/dbraw/zinc/71/50/81/1022715081.db2.gz NVPQSSJPQUXJBG-OIISXLGYSA-N 1 2 345.443 3.519 20 0 EHADLO CCC[C@@H](OC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012258 1022715095 /nfs/dbraw/zinc/71/50/95/1022715095.db2.gz NVPQSSJPQUXJBG-OIISXLGYSA-N 1 2 345.443 3.519 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476259449 1033078947 /nfs/dbraw/zinc/07/89/47/1033078947.db2.gz XOJGDGVOSMTOAN-PYTWLRIVSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476259449 1033078960 /nfs/dbraw/zinc/07/89/60/1033078960.db2.gz XOJGDGVOSMTOAN-PYTWLRIVSA-N 1 2 338.854 3.633 20 0 EHADLO Cn1c[nH+]cc1COc1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC000276772503 1022770813 /nfs/dbraw/zinc/77/08/13/1022770813.db2.gz HCGDGYNHBXPWBT-UHFFFAOYSA-N 1 2 337.807 4.000 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@H](C(C)(C)C)C3)o2)cc1 ZINC000331311487 1022784014 /nfs/dbraw/zinc/78/40/14/1022784014.db2.gz GYVWLBDKLPNGLM-ZBFHGGJFSA-N 1 2 329.444 3.853 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@H](C(C)(C)C)C3)o2)cc1 ZINC000331311487 1022784034 /nfs/dbraw/zinc/78/40/34/1022784034.db2.gz GYVWLBDKLPNGLM-ZBFHGGJFSA-N 1 2 329.444 3.853 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000441446752 1022841883 /nfs/dbraw/zinc/84/18/83/1022841883.db2.gz LQUZTUVEDMJPDM-MAUKXSAKSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1oc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000441446752 1022841901 /nfs/dbraw/zinc/84/19/01/1022841901.db2.gz LQUZTUVEDMJPDM-MAUKXSAKSA-N 1 2 343.423 3.645 20 0 EHADLO Cc1ncoc1C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000894776784 1022886051 /nfs/dbraw/zinc/88/60/51/1022886051.db2.gz KLJIQUGFAZULRC-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000440478761 1022942581 /nfs/dbraw/zinc/94/25/81/1022942581.db2.gz PCLDLVWRRUDECQ-UHFFFAOYSA-N 1 2 345.512 3.715 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000557703081 1022968691 /nfs/dbraw/zinc/96/86/91/1022968691.db2.gz FHCFVRFGOXZXIT-UHFFFAOYSA-N 1 2 328.441 3.509 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000487388585 1022987702 /nfs/dbraw/zinc/98/77/02/1022987702.db2.gz GDZIIJKEMLJDBZ-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000487388585 1022987715 /nfs/dbraw/zinc/98/77/15/1022987715.db2.gz GDZIIJKEMLJDBZ-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(F)cc1C(F)(F)F ZINC000509556359 1023034233 /nfs/dbraw/zinc/03/42/33/1023034233.db2.gz CNJVICWTBZFLIV-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(F)cc1C(F)(F)F ZINC000509556359 1023034241 /nfs/dbraw/zinc/03/42/41/1023034241.db2.gz CNJVICWTBZFLIV-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000189487556 1023038118 /nfs/dbraw/zinc/03/81/18/1023038118.db2.gz SUDGLGUUZSWEAL-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CO)cc1 ZINC000189487556 1023038131 /nfs/dbraw/zinc/03/81/31/1023038131.db2.gz SUDGLGUUZSWEAL-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO COCCCC[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000548418068 1023044939 /nfs/dbraw/zinc/04/49/39/1023044939.db2.gz JGQZHXDZCLOQGO-SFHVURJKSA-N 1 2 341.455 3.800 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2cc(Cl)ccc21 ZINC000341708759 1023083497 /nfs/dbraw/zinc/08/34/97/1023083497.db2.gz QRNCYCMRPGPIEK-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1SC(F)(F)F)c1ncnn1C ZINC000926262626 1023106239 /nfs/dbraw/zinc/10/62/39/1023106239.db2.gz PTNHCFIRPBGGSN-UWVGGRQHSA-N 1 2 330.379 3.839 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000294908625 1023126089 /nfs/dbraw/zinc/12/60/89/1023126089.db2.gz HPVZBMDJPMKKNV-MRXNPFEDSA-N 1 2 330.501 3.762 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000294908625 1023126096 /nfs/dbraw/zinc/12/60/96/1023126096.db2.gz HPVZBMDJPMKKNV-MRXNPFEDSA-N 1 2 330.501 3.762 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccsc1 ZINC000190087359 1023160371 /nfs/dbraw/zinc/16/03/71/1023160371.db2.gz ZLXHSIYNXHRXJO-UHFFFAOYSA-N 1 2 335.860 3.581 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccsc1 ZINC000190087359 1023160375 /nfs/dbraw/zinc/16/03/75/1023160375.db2.gz ZLXHSIYNXHRXJO-UHFFFAOYSA-N 1 2 335.860 3.581 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCC(O)(C(F)F)CC3)cs2)cc1 ZINC000426249365 1023189932 /nfs/dbraw/zinc/18/99/32/1023189932.db2.gz FANXLTWAWUOXKD-UHFFFAOYSA-N 1 2 338.423 3.711 20 0 EHADLO CC(C)[N@H+](Cc1nc(Br)nn1C)[C@H](C)c1ccccc1 ZINC000894831819 1023195406 /nfs/dbraw/zinc/19/54/06/1023195406.db2.gz QVVVTUWDIAPEOS-GFCCVEGCSA-N 1 2 337.265 3.549 20 0 EHADLO CC(C)[N@@H+](Cc1nc(Br)nn1C)[C@H](C)c1ccccc1 ZINC000894831819 1023195409 /nfs/dbraw/zinc/19/54/09/1023195409.db2.gz QVVVTUWDIAPEOS-GFCCVEGCSA-N 1 2 337.265 3.549 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000507299024 1023233858 /nfs/dbraw/zinc/23/38/58/1023233858.db2.gz LFAYFNFFYTYDCP-UHFFFAOYSA-N 1 2 346.430 3.905 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000439061188 1023237069 /nfs/dbraw/zinc/23/70/69/1023237069.db2.gz RROWGJZYSKXGFC-INIZCTEOSA-N 1 2 340.423 3.513 20 0 EHADLO O=C(NCc1ccc(Cl)cc1Cl)Nc1ccn2cc[nH+]c2c1 ZINC000439049047 1023242113 /nfs/dbraw/zinc/24/21/13/1023242113.db2.gz FTIVZZAETFWMSD-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO COc1ccc(Cl)cc1CN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000518352103 1023253757 /nfs/dbraw/zinc/25/37/57/1023253757.db2.gz SRZQDSFGVADCPT-UHFFFAOYSA-N 1 2 346.862 3.765 20 0 EHADLO COc1ccc(Cl)cc1CN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000518352103 1023253770 /nfs/dbraw/zinc/25/37/70/1023253770.db2.gz SRZQDSFGVADCPT-UHFFFAOYSA-N 1 2 346.862 3.765 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc1 ZINC000507352650 1023262777 /nfs/dbraw/zinc/26/27/77/1023262777.db2.gz LGAHXPFTHYTZDQ-INIZCTEOSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc1 ZINC000507352650 1023262779 /nfs/dbraw/zinc/26/27/79/1023262779.db2.gz LGAHXPFTHYTZDQ-INIZCTEOSA-N 1 2 343.427 3.851 20 0 EHADLO COc1cc(F)c(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1OC ZINC000641724651 1033118750 /nfs/dbraw/zinc/11/87/50/1033118750.db2.gz HRHNNFNIBHHXKI-LBPRGKRZSA-N 1 2 343.402 3.580 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(c3ccc(F)cc3F)CCC2)c[nH+]1 ZINC000459090554 1023278798 /nfs/dbraw/zinc/27/87/98/1023278798.db2.gz ZVSGRAPOMMCCHR-UHFFFAOYSA-N 1 2 345.393 3.855 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)o2)cc1 ZINC000190548155 1023297744 /nfs/dbraw/zinc/29/77/44/1023297744.db2.gz GFICVTSIKCYMGH-AWEZNQCLSA-N 1 2 329.444 3.995 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091701995 1023297889 /nfs/dbraw/zinc/29/78/89/1023297889.db2.gz PJVVTXCRSPECBH-CVEARBPZSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000091701995 1023297894 /nfs/dbraw/zinc/29/78/94/1023297894.db2.gz PJVVTXCRSPECBH-CVEARBPZSA-N 1 2 325.456 3.514 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431127149 1023306851 /nfs/dbraw/zinc/30/68/51/1023306851.db2.gz OLXBXRHTASAKEX-MISYRCLQSA-N 1 2 341.426 3.836 20 0 EHADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)NC1CCCC1 ZINC000016396810 1023440073 /nfs/dbraw/zinc/44/00/73/1023440073.db2.gz KHSUHKSHRFOCDN-UHFFFAOYSA-N 1 2 334.510 3.871 20 0 EHADLO c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276947416 1023449955 /nfs/dbraw/zinc/44/99/55/1023449955.db2.gz NYRLZCCVEAIPAH-KRWDZBQOSA-N 1 2 327.428 3.691 20 0 EHADLO c1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276947416 1023449959 /nfs/dbraw/zinc/44/99/59/1023449959.db2.gz NYRLZCCVEAIPAH-KRWDZBQOSA-N 1 2 327.428 3.691 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000093303345 1023471640 /nfs/dbraw/zinc/47/16/40/1023471640.db2.gz AHPJJVLXWCSRDV-INIZCTEOSA-N 1 2 337.423 3.510 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000093303345 1023471643 /nfs/dbraw/zinc/47/16/43/1023471643.db2.gz AHPJJVLXWCSRDV-INIZCTEOSA-N 1 2 337.423 3.510 20 0 EHADLO COc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1F ZINC000341875153 1023507647 /nfs/dbraw/zinc/50/76/47/1023507647.db2.gz NIRAEUSGKVNKGI-OAHLLOKOSA-N 1 2 339.370 3.718 20 0 EHADLO Cn1nncc1C[N@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000093814140 1023507910 /nfs/dbraw/zinc/50/79/10/1023507910.db2.gz SMMVDCYRSBKSFO-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1nncc1C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000093814140 1023507920 /nfs/dbraw/zinc/50/79/20/1023507920.db2.gz SMMVDCYRSBKSFO-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000180905687 1023524083 /nfs/dbraw/zinc/52/40/83/1023524083.db2.gz BJHBPUVITHXSGE-OAHLLOKOSA-N 1 2 337.423 3.720 20 0 EHADLO CN(Cc1cc(Br)cs1)c1nc(N)c2ccccc2[nH+]1 ZINC000535721231 1023591925 /nfs/dbraw/zinc/59/19/25/1023591925.db2.gz IQFUGVJYOOIRPI-UHFFFAOYSA-N 1 2 349.257 3.503 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2CCCn2c(=O)[nH]c3ccccc32)cs1 ZINC000548491649 1023604627 /nfs/dbraw/zinc/60/46/27/1023604627.db2.gz OXVPBGKEQKIKLF-MRXNPFEDSA-N 1 2 342.468 3.734 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2CCCn2c(=O)[nH]c3ccccc32)cs1 ZINC000548491649 1023604630 /nfs/dbraw/zinc/60/46/30/1023604630.db2.gz OXVPBGKEQKIKLF-MRXNPFEDSA-N 1 2 342.468 3.734 20 0 EHADLO O=C(/C=C/C=C(Cl)Cl)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000897755915 1033151915 /nfs/dbraw/zinc/15/19/15/1033151915.db2.gz XTGRBMLBWHOGOZ-VPIYVRFFSA-N 1 2 340.254 3.796 20 0 EHADLO OC[C@H]1CC[N@@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000934013711 1023668795 /nfs/dbraw/zinc/66/87/95/1023668795.db2.gz GSMIMYLTQPODOD-SECBINFHSA-N 1 2 329.252 3.684 20 0 EHADLO OC[C@H]1CC[N@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000934013711 1023668798 /nfs/dbraw/zinc/66/87/98/1023668798.db2.gz GSMIMYLTQPODOD-SECBINFHSA-N 1 2 329.252 3.684 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)cs1 ZINC000277065825 1023731748 /nfs/dbraw/zinc/73/17/48/1023731748.db2.gz DJTQNAOEJOQEOY-INIZCTEOSA-N 1 2 342.468 3.861 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC(C)(C3CC3)C3CC3)cn2c1 ZINC000598381941 1033152752 /nfs/dbraw/zinc/15/27/52/1033152752.db2.gz SOIHEYFWYJMBDD-UHFFFAOYSA-N 1 2 343.496 3.571 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccc(C)cc2)c1C ZINC000181151955 1023862252 /nfs/dbraw/zinc/86/22/52/1023862252.db2.gz DFQDKXMQHFVRPZ-OAHLLOKOSA-N 1 2 340.467 3.853 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000150844539 1023949434 /nfs/dbraw/zinc/94/94/34/1023949434.db2.gz HYIATHVPFVBSSH-CHWSQXEVSA-N 1 2 328.366 3.957 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc(F)c2)c(C)c1 ZINC000441503140 1023952723 /nfs/dbraw/zinc/95/27/23/1023952723.db2.gz SMSJRZYBICZVTI-LJQANCHMSA-N 1 2 337.398 3.810 20 0 EHADLO FC(F)(F)Oc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000192270482 1023968032 /nfs/dbraw/zinc/96/80/32/1023968032.db2.gz OWKHEUDJGPDTAN-UHFFFAOYSA-N 1 2 338.333 3.588 20 0 EHADLO FC(F)(F)Oc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000192270482 1023968043 /nfs/dbraw/zinc/96/80/43/1023968043.db2.gz OWKHEUDJGPDTAN-UHFFFAOYSA-N 1 2 338.333 3.588 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000192351421 1023996529 /nfs/dbraw/zinc/99/65/29/1023996529.db2.gz MQOCVKZONMDIBI-IRXDYDNUSA-N 1 2 334.508 3.693 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000192351435 1023996785 /nfs/dbraw/zinc/99/67/85/1023996785.db2.gz MQOCVKZONMDIBI-IAGOWNOFSA-N 1 2 334.508 3.693 20 0 EHADLO Cc1cccc(C)c1CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513997685 1024024987 /nfs/dbraw/zinc/02/49/87/1024024987.db2.gz UVRQWVWPBRYPBZ-IBGZPJMESA-N 1 2 342.870 3.672 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513986950 1024030763 /nfs/dbraw/zinc/03/07/63/1024030763.db2.gz GQFRLJFTPQXZSD-SFHVURJKSA-N 1 2 328.843 3.744 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000434458986 1024051183 /nfs/dbraw/zinc/05/11/83/1024051183.db2.gz IQQSTLLSZQDQMS-HNNXBMFYSA-N 1 2 347.528 3.859 20 0 EHADLO COc1cc(C[NH2+]Cc2cocn2)ccc1OCc1cccs1 ZINC000594061011 1033185607 /nfs/dbraw/zinc/18/56/07/1033185607.db2.gz JAGCZJPHHCIDPB-UHFFFAOYSA-N 1 2 330.409 3.614 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1F ZINC000151183960 1024073454 /nfs/dbraw/zinc/07/34/54/1024073454.db2.gz IXOZOBXWQGSPQR-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000510993464 1024079703 /nfs/dbraw/zinc/07/97/03/1024079703.db2.gz CTYMKNCNRPGXQG-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000522238255 1024083691 /nfs/dbraw/zinc/08/36/91/1024083691.db2.gz CTPNDKQXUPYBQJ-IBGZPJMESA-N 1 2 349.434 3.558 20 0 EHADLO Cc1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400817 1024087463 /nfs/dbraw/zinc/08/74/63/1024087463.db2.gz RCLNOUMUDKLLOA-ZBEGNZNMSA-N 1 2 335.835 3.538 20 0 EHADLO Cc1cc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895083115 1024122552 /nfs/dbraw/zinc/12/25/52/1024122552.db2.gz SNPDUPAFRSYALK-AAEUAGOBSA-N 1 2 329.366 3.599 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823006 1033191249 /nfs/dbraw/zinc/19/12/49/1033191249.db2.gz IQRYLRVELKDXEA-CMPLNLGQSA-N 1 2 346.349 3.577 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823006 1033191240 /nfs/dbraw/zinc/19/12/40/1033191240.db2.gz IQRYLRVELKDXEA-CMPLNLGQSA-N 1 2 346.349 3.577 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3c(C)cccc3F)cn2c1 ZINC000181667871 1024181498 /nfs/dbraw/zinc/18/14/98/1024181498.db2.gz XSEAOVNOLXHUCF-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2OC)[nH]1 ZINC000277206196 1024205155 /nfs/dbraw/zinc/20/51/55/1024205155.db2.gz JVWNPAZHHGKFPC-XQQFMLRXSA-N 1 2 332.448 3.747 20 0 EHADLO CC(C)(C)c1cnc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000548519545 1024220583 /nfs/dbraw/zinc/22/05/83/1024220583.db2.gz QJULQNRUDHHSJV-UHFFFAOYSA-N 1 2 338.411 3.729 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000761044960 1033194295 /nfs/dbraw/zinc/19/42/95/1033194295.db2.gz MVMATCYYXDDAHQ-SMDDNHRTSA-N 1 2 348.434 3.836 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000761044960 1033194297 /nfs/dbraw/zinc/19/42/97/1033194297.db2.gz MVMATCYYXDDAHQ-SMDDNHRTSA-N 1 2 348.434 3.836 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(C)s1 ZINC000443613733 1024238404 /nfs/dbraw/zinc/23/84/04/1024238404.db2.gz DMJADEBQQFFXDB-OAHLLOKOSA-N 1 2 332.444 3.994 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(C)s1 ZINC000443613733 1024238415 /nfs/dbraw/zinc/23/84/15/1024238415.db2.gz DMJADEBQQFFXDB-OAHLLOKOSA-N 1 2 332.444 3.994 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000151614752 1024241326 /nfs/dbraw/zinc/24/13/26/1024241326.db2.gz ITENQRPHGONHIM-CQSZACIVSA-N 1 2 331.847 3.579 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)cc1C ZINC000329915026 1024249130 /nfs/dbraw/zinc/24/91/30/1024249130.db2.gz PLLKTDFYQOJDRE-MPGHIAIKSA-N 1 2 341.455 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)cc1C ZINC000329915026 1024249147 /nfs/dbraw/zinc/24/91/47/1024249147.db2.gz PLLKTDFYQOJDRE-MPGHIAIKSA-N 1 2 341.455 3.914 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000342152035 1024249031 /nfs/dbraw/zinc/24/90/31/1024249031.db2.gz BHMMLSFQUAWCMD-UHFFFAOYSA-N 1 2 335.494 3.531 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C/C=C\c1ccccc1 ZINC000211812299 1024255234 /nfs/dbraw/zinc/25/52/34/1024255234.db2.gz UHWSTOKEZAJXEQ-TWGQIWQCSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C/C=C\c1ccccc1 ZINC000211812299 1024255246 /nfs/dbraw/zinc/25/52/46/1024255246.db2.gz UHWSTOKEZAJXEQ-TWGQIWQCSA-N 1 2 344.842 3.932 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)n1 ZINC000443631672 1024265817 /nfs/dbraw/zinc/26/58/17/1024265817.db2.gz RLXSKPCPKVRYKD-HNNXBMFYSA-N 1 2 348.903 3.563 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC[NH2+]1 ZINC000505468290 1024291201 /nfs/dbraw/zinc/29/12/01/1024291201.db2.gz JSGOBBFYSAFSKJ-JZXOWHBKSA-N 1 2 344.499 3.631 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1)Nc1ccccc1 ZINC000443641790 1024301195 /nfs/dbraw/zinc/30/11/95/1024301195.db2.gz QNRZCNVKCWEPOD-INIZCTEOSA-N 1 2 344.842 3.822 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1)Nc1ccccc1 ZINC000443641790 1024301207 /nfs/dbraw/zinc/30/12/07/1024301207.db2.gz QNRZCNVKCWEPOD-INIZCTEOSA-N 1 2 344.842 3.822 20 0 EHADLO CC[N@H+](CCc1nccs1)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000343310268 1024305561 /nfs/dbraw/zinc/30/55/61/1024305561.db2.gz NBTBJXNPJWMFHP-OAHLLOKOSA-N 1 2 338.860 3.575 20 0 EHADLO CC[N@@H+](CCc1nccs1)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000343310268 1024305577 /nfs/dbraw/zinc/30/55/77/1024305577.db2.gz NBTBJXNPJWMFHP-OAHLLOKOSA-N 1 2 338.860 3.575 20 0 EHADLO c1ccc(-c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)s2)cc1 ZINC000895354999 1024370848 /nfs/dbraw/zinc/37/08/48/1024370848.db2.gz URLICRKJVRDHFC-UHFFFAOYSA-N 1 2 337.452 3.681 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505498980 1024381110 /nfs/dbraw/zinc/38/11/10/1024381110.db2.gz PNHFLNXQOTUHNI-ZTJJKMQJSA-N 1 2 338.426 3.792 20 0 EHADLO CC(=O)N1CCC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443672336 1024397084 /nfs/dbraw/zinc/39/70/84/1024397084.db2.gz FPBRSMCFFVBZKM-INIZCTEOSA-N 1 2 327.255 3.535 20 0 EHADLO CC(=O)N1CCC[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443672336 1024397105 /nfs/dbraw/zinc/39/71/05/1024397105.db2.gz FPBRSMCFFVBZKM-INIZCTEOSA-N 1 2 327.255 3.535 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)CC1 ZINC000505517710 1024429077 /nfs/dbraw/zinc/42/90/77/1024429077.db2.gz VGRPUVRYLKZPOH-BXWFABGCSA-N 1 2 332.463 3.761 20 0 EHADLO CS[C@H]1CCCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425201529 1024437045 /nfs/dbraw/zinc/43/70/45/1024437045.db2.gz ALWMBEPSPLALSP-IRXDYDNUSA-N 1 2 343.496 3.676 20 0 EHADLO CNc1nc(N2CC[C@@]3(CC(F)(F)C3(F)F)C2)[nH+]c2ccccc21 ZINC000895387079 1024446010 /nfs/dbraw/zinc/44/60/10/1024446010.db2.gz IFHVQPXCTBOSKU-CQSZACIVSA-N 1 2 340.324 3.542 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000505543859 1024456661 /nfs/dbraw/zinc/45/66/61/1024456661.db2.gz WIGVZNUEPSDUBM-IFXJQAMLSA-N 1 2 344.405 3.632 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505551174 1024469150 /nfs/dbraw/zinc/46/91/50/1024469150.db2.gz QXWMLAWTROASIA-OAQYLSRUSA-N 1 2 348.421 3.695 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000255381746 1024485814 /nfs/dbraw/zinc/48/58/14/1024485814.db2.gz MKOABIWKTRWXOK-PLNGDYQASA-N 1 2 334.398 3.613 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000255381746 1024485819 /nfs/dbraw/zinc/48/58/19/1024485819.db2.gz MKOABIWKTRWXOK-PLNGDYQASA-N 1 2 334.398 3.613 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425253410 1024523816 /nfs/dbraw/zinc/52/38/16/1024523816.db2.gz JXXKEXYYWUKSAR-DOTOQJQBSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455946245 1033217295 /nfs/dbraw/zinc/21/72/95/1033217295.db2.gz MSWUYUIVHNHNOC-RUGDWHBFSA-N 1 2 343.858 3.750 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000505584799 1024530155 /nfs/dbraw/zinc/53/01/55/1024530155.db2.gz BWPXKCJNTBXYDT-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000505584799 1024530169 /nfs/dbraw/zinc/53/01/69/1024530169.db2.gz BWPXKCJNTBXYDT-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cccc(-c3ccccn3)c2)n1 ZINC000342248315 1024563421 /nfs/dbraw/zinc/56/34/21/1024563421.db2.gz NNMKJBVIXPJBDO-UHFFFAOYSA-N 1 2 326.350 3.766 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459756 1024581527 /nfs/dbraw/zinc/58/15/27/1024581527.db2.gz ZFVSRZLDUUFREA-LSDHHAIUSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459756 1024581537 /nfs/dbraw/zinc/58/15/37/1024581537.db2.gz ZFVSRZLDUUFREA-LSDHHAIUSA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761048682 1033221096 /nfs/dbraw/zinc/22/10/96/1033221096.db2.gz NUTMTLPPRRNOKO-ZDUSSCGKSA-N 1 2 328.378 3.807 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761048682 1033221107 /nfs/dbraw/zinc/22/11/07/1033221107.db2.gz NUTMTLPPRRNOKO-ZDUSSCGKSA-N 1 2 328.378 3.807 20 0 EHADLO COc1ccc2ccc(NC3CCN(CC(F)(F)F)CC3)[nH+]c2c1 ZINC000892078519 1024592513 /nfs/dbraw/zinc/59/25/13/1024592513.db2.gz NXKRFONUAKVTJU-UHFFFAOYSA-N 1 2 339.361 3.682 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000185313011 1024597810 /nfs/dbraw/zinc/59/78/10/1024597810.db2.gz MDVJTCDGZZJTDN-HIFRSBDPSA-N 1 2 335.835 3.640 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2ccc(Cl)cc2OC(C)C)c1 ZINC000895538954 1024599179 /nfs/dbraw/zinc/59/91/79/1024599179.db2.gz LVXODLIOLJLCQL-UHFFFAOYSA-N 1 2 337.803 3.797 20 0 EHADLO CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342262381 1024610600 /nfs/dbraw/zinc/61/06/00/1024610600.db2.gz YRJHGLNOXVEZRB-HNNXBMFYSA-N 1 2 344.827 3.784 20 0 EHADLO O=C(c1cc(O)ccc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346299581 1024614644 /nfs/dbraw/zinc/61/46/44/1024614644.db2.gz BSHAFMPILWHSLF-UHFFFAOYSA-N 1 2 347.846 3.575 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1Br ZINC000282754745 1024636861 /nfs/dbraw/zinc/63/68/61/1024636861.db2.gz STSJUDOAFYJDPR-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671377 1024641116 /nfs/dbraw/zinc/64/11/16/1024641116.db2.gz GEDYYNRZRYOUJA-WMZOPIPTSA-N 1 2 349.544 3.824 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614377 1024659294 /nfs/dbraw/zinc/65/92/94/1024659294.db2.gz WGGPXUOXRRMLSM-DZGCQCFKSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614377 1024659300 /nfs/dbraw/zinc/65/93/00/1024659300.db2.gz WGGPXUOXRRMLSM-DZGCQCFKSA-N 1 2 333.863 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([S@](C)=O)cc1 ZINC000281109132 1024664719 /nfs/dbraw/zinc/66/47/19/1024664719.db2.gz LRYNJQCEHRPZKW-KLVQOETNSA-N 1 2 345.361 3.831 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342973 1024666949 /nfs/dbraw/zinc/66/69/49/1024666949.db2.gz DYOYNYKRIUPDQE-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342973 1024666954 /nfs/dbraw/zinc/66/69/54/1024666954.db2.gz DYOYNYKRIUPDQE-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO C[N@H+](Cc1nccs1)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892094494 1024667948 /nfs/dbraw/zinc/66/79/48/1024667948.db2.gz ISYYHKCIAGTRJJ-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO C[N@@H+](Cc1nccs1)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892094494 1024667951 /nfs/dbraw/zinc/66/79/51/1024667951.db2.gz ISYYHKCIAGTRJJ-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000346366826 1024684474 /nfs/dbraw/zinc/68/44/74/1024684474.db2.gz HZJKWKDFEMPSOS-KRWDZBQOSA-N 1 2 330.403 3.680 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000346366826 1024684481 /nfs/dbraw/zinc/68/44/81/1024684481.db2.gz HZJKWKDFEMPSOS-KRWDZBQOSA-N 1 2 330.403 3.680 20 0 EHADLO c1cn(C2CC2)c(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000895642368 1024687840 /nfs/dbraw/zinc/68/78/40/1024687840.db2.gz UJTURTHWNUJXHR-SFHVURJKSA-N 1 2 338.455 3.534 20 0 EHADLO c1cn(C2CC2)c(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000895642368 1024687848 /nfs/dbraw/zinc/68/78/48/1024687848.db2.gz UJTURTHWNUJXHR-SFHVURJKSA-N 1 2 338.455 3.534 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4c[nH]nc4-c4ccoc4)n3)c2)c[nH+]1 ZINC000346376126 1024692182 /nfs/dbraw/zinc/69/21/82/1024692182.db2.gz AAQSMKZTTFCJFP-UHFFFAOYSA-N 1 2 344.334 3.572 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(C)noc2C2CC2)c1C ZINC000185833476 1024692305 /nfs/dbraw/zinc/69/23/05/1024692305.db2.gz OHFNRNRFNFPMRD-UHFFFAOYSA-N 1 2 344.415 3.545 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccc(F)cc2)O1 ZINC000892100385 1024693432 /nfs/dbraw/zinc/69/34/32/1024693432.db2.gz FBYQDTYNQBYWQY-SJKOYZFVSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccc(F)cc2)O1 ZINC000892100385 1024693437 /nfs/dbraw/zinc/69/34/37/1024693437.db2.gz FBYQDTYNQBYWQY-SJKOYZFVSA-N 1 2 342.370 3.635 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474289999 1024698822 /nfs/dbraw/zinc/69/88/22/1024698822.db2.gz NWIFSMJJWKFSEG-PKOBYXMFSA-N 1 2 330.472 3.674 20 0 EHADLO CCOc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000514734034 1024707134 /nfs/dbraw/zinc/70/71/34/1024707134.db2.gz XXVFGCCBIJVZIT-NSHDSACASA-N 1 2 341.333 3.890 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@H+]2CC=C(C(F)(F)F)CC2)s1 ZINC000892106193 1024719459 /nfs/dbraw/zinc/71/94/59/1024719459.db2.gz SXZBUFUNRJFFGM-UHFFFAOYSA-N 1 2 330.297 3.942 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@@H+]2CC=C(C(F)(F)F)CC2)s1 ZINC000892106193 1024719469 /nfs/dbraw/zinc/71/94/69/1024719469.db2.gz SXZBUFUNRJFFGM-UHFFFAOYSA-N 1 2 330.297 3.942 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000346435369 1024731099 /nfs/dbraw/zinc/73/10/99/1024731099.db2.gz CMHIZGUMVWCXSG-LJQANCHMSA-N 1 2 341.361 3.643 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)C1CCC(OC(F)F)CC1 ZINC000505643162 1024732458 /nfs/dbraw/zinc/73/24/58/1024732458.db2.gz XZZLJVBESGTSDR-UHFFFAOYSA-N 1 2 335.354 3.609 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000281195972 1024736137 /nfs/dbraw/zinc/73/61/37/1024736137.db2.gz MWWVBILFKLHRAX-IBGZPJMESA-N 1 2 339.483 3.757 20 0 EHADLO CC(C)C[C@H](C)CS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427697297 1024741464 /nfs/dbraw/zinc/74/14/64/1024741464.db2.gz UFGASVOYNXLZRB-DLBZAZTESA-N 1 2 349.544 3.534 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000346448492 1024742786 /nfs/dbraw/zinc/74/27/86/1024742786.db2.gz SVFCWFJAKNVODA-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1nc(CC2CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)no1 ZINC000895697954 1024747107 /nfs/dbraw/zinc/74/71/07/1024747107.db2.gz BZETXHBLLCQPHJ-UHFFFAOYSA-N 1 2 343.475 3.874 20 0 EHADLO Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000346425489 1024754048 /nfs/dbraw/zinc/75/40/48/1024754048.db2.gz LJKIASCFKILISY-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO Cc1ncsc1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000427712572 1024760359 /nfs/dbraw/zinc/76/03/59/1024760359.db2.gz WWTNMNZGFUCILF-MRVPVSSYSA-N 1 2 330.226 3.599 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cnn(-c3ccccc3C)c2)c1C ZINC000639359134 1024760329 /nfs/dbraw/zinc/76/03/29/1024760329.db2.gz AIFRNSMHJCRTEP-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cnn(-c3ccccc3C)c2)c1C ZINC000639359134 1024760339 /nfs/dbraw/zinc/76/03/39/1024760339.db2.gz AIFRNSMHJCRTEP-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000607654569 1033237509 /nfs/dbraw/zinc/23/75/09/1033237509.db2.gz NDEPUHLQCZBMOL-CVEARBPZSA-N 1 2 334.529 3.781 20 0 EHADLO CCc1nnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000346481789 1024768715 /nfs/dbraw/zinc/76/87/15/1024768715.db2.gz GJORGYVMFJTXLL-JTQLQIEISA-N 1 2 343.258 3.573 20 0 EHADLO CCc1nnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000346481789 1024768729 /nfs/dbraw/zinc/76/87/29/1024768729.db2.gz GJORGYVMFJTXLL-JTQLQIEISA-N 1 2 343.258 3.573 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cncn1C(C)C)C[C@@H]1CCCO1 ZINC000425331682 1024769598 /nfs/dbraw/zinc/76/95/98/1024769598.db2.gz XXETWENHTQVWFN-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cncn1C(C)C)C[C@@H]1CCCO1 ZINC000425331682 1024769610 /nfs/dbraw/zinc/76/96/10/1024769610.db2.gz XXETWENHTQVWFN-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H](C2CCCC2)C1 ZINC000425327381 1024773101 /nfs/dbraw/zinc/77/31/01/1024773101.db2.gz NEZDBMSWTMQOMV-MOPGFXCFSA-N 1 2 337.467 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccccc2OC(C)C)c[nH+]1 ZINC000895742991 1024779862 /nfs/dbraw/zinc/77/98/62/1024779862.db2.gz BZOHYWVLNNNNQO-HNNXBMFYSA-N 1 2 329.444 3.591 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1c(Br)cnn1C ZINC000895738445 1024793122 /nfs/dbraw/zinc/79/31/22/1024793122.db2.gz LMWRGDSBKWXEFU-UHFFFAOYSA-N 1 2 340.265 3.671 20 0 EHADLO O=C(C[C@H]1C=CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435332139 1024799232 /nfs/dbraw/zinc/79/92/32/1024799232.db2.gz CXWIATXJBZSGTF-INIZCTEOSA-N 1 2 343.858 3.922 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425351865 1024821869 /nfs/dbraw/zinc/82/18/69/1024821869.db2.gz NYTVMWIMFJMPSL-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425351865 1024821889 /nfs/dbraw/zinc/82/18/89/1024821889.db2.gz NYTVMWIMFJMPSL-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO CC[C@H](c1ccccc1)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC001167510432 1024840556 /nfs/dbraw/zinc/84/05/56/1024840556.db2.gz WIJSMTNSVDRPKX-FGZHOGPDSA-N 1 2 338.495 3.879 20 0 EHADLO FC(F)Cn1cc(C[N@H+](Cc2cccs2)Cc2ccncc2)cn1 ZINC000897925535 1033240623 /nfs/dbraw/zinc/24/06/23/1033240623.db2.gz MZBYQMLOSVWROH-UHFFFAOYSA-N 1 2 348.422 3.807 20 0 EHADLO FC(F)Cn1cc(C[N@@H+](Cc2cccs2)Cc2ccncc2)cn1 ZINC000897925535 1033240634 /nfs/dbraw/zinc/24/06/34/1033240634.db2.gz MZBYQMLOSVWROH-UHFFFAOYSA-N 1 2 348.422 3.807 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CC(CC(F)F)C1 ZINC000425365083 1024870467 /nfs/dbraw/zinc/87/04/67/1024870467.db2.gz IRBZOGXNCIFLFA-UHFFFAOYSA-N 1 2 333.304 3.679 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nn(C)c(C)c3Cl)C2)n1 ZINC000895821889 1024874091 /nfs/dbraw/zinc/87/40/91/1024874091.db2.gz HDQAWTKHCRDMQN-CYBMUJFWSA-N 1 2 338.908 3.602 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nn(C)c(C)c3Cl)C2)n1 ZINC000895821889 1024874099 /nfs/dbraw/zinc/87/40/99/1024874099.db2.gz HDQAWTKHCRDMQN-CYBMUJFWSA-N 1 2 338.908 3.602 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2cnn(C)c2C(F)(F)F)c1 ZINC000346569584 1024876555 /nfs/dbraw/zinc/87/65/55/1024876555.db2.gz BTGDCMHNCDBCLJ-UHFFFAOYSA-N 1 2 331.363 3.584 20 0 EHADLO CCCn1c(C[NH+]2CCC(C(=O)OC(C)C)CC2)nc2ccccc21 ZINC000895829790 1024894570 /nfs/dbraw/zinc/89/45/70/1024894570.db2.gz WFUBDPOZQBLDPD-UHFFFAOYSA-N 1 2 343.471 3.610 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2csc(-c3ncccn3)n2)c1 ZINC000346588433 1024899589 /nfs/dbraw/zinc/89/95/89/1024899589.db2.gz WIGKAIRIJPIOCW-UHFFFAOYSA-N 1 2 344.465 3.746 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)cc1Cl ZINC000474412261 1024907147 /nfs/dbraw/zinc/90/71/47/1024907147.db2.gz QPLBZPGHRCTQJS-UHFFFAOYSA-N 1 2 343.858 3.882 20 0 EHADLO CCCOc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000105353195 1024925926 /nfs/dbraw/zinc/92/59/26/1024925926.db2.gz YAHVORGGLMLPGA-UHFFFAOYSA-N 1 2 328.416 3.541 20 0 EHADLO CSc1c(F)cccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435446498 1024931383 /nfs/dbraw/zinc/93/13/83/1024931383.db2.gz BUCIBZYDUDYOCP-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO CCCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954225 1024936836 /nfs/dbraw/zinc/93/68/36/1024936836.db2.gz WSVQJULDVKLIGK-OAHLLOKOSA-N 1 2 331.485 3.740 20 0 EHADLO CCCCCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954225 1024936839 /nfs/dbraw/zinc/93/68/39/1024936839.db2.gz WSVQJULDVKLIGK-OAHLLOKOSA-N 1 2 331.485 3.740 20 0 EHADLO CCOCC[N@H+](CC)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000157598894 1024967036 /nfs/dbraw/zinc/96/70/36/1024967036.db2.gz WMKJFZKNTOPVFC-CYBMUJFWSA-N 1 2 337.851 3.733 20 0 EHADLO CCOCC[N@@H+](CC)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000157598894 1024967048 /nfs/dbraw/zinc/96/70/48/1024967048.db2.gz WMKJFZKNTOPVFC-CYBMUJFWSA-N 1 2 337.851 3.733 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000071961198 1024967111 /nfs/dbraw/zinc/96/71/11/1024967111.db2.gz NAGQICLZHCDHHJ-UHFFFAOYSA-N 1 2 349.434 3.805 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OCC ZINC000536574777 1024983965 /nfs/dbraw/zinc/98/39/65/1024983965.db2.gz NHPJBVQCPLHPQS-UHFFFAOYSA-N 1 2 342.439 3.950 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000375660489 1025003637 /nfs/dbraw/zinc/00/36/37/1025003637.db2.gz NXPXERKYEHUIDH-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000375660489 1025003639 /nfs/dbraw/zinc/00/36/39/1025003639.db2.gz NXPXERKYEHUIDH-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000508300319 1025020841 /nfs/dbraw/zinc/02/08/41/1025020841.db2.gz QFCBLZYWXXVTDQ-YRNVUSSQSA-N 1 2 348.490 3.785 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1F ZINC000508300281 1025021078 /nfs/dbraw/zinc/02/10/78/1025021078.db2.gz PNLQMZLTJFXIGK-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548652909 1025050549 /nfs/dbraw/zinc/05/05/49/1025050549.db2.gz OGEQPKCUMMUOLC-IEBWSBKVSA-N 1 2 340.471 3.675 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000428221464 1025056814 /nfs/dbraw/zinc/05/68/14/1025056814.db2.gz KNTUDVRZSXLMNO-FATZIPQQSA-N 1 2 334.485 3.866 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000428221464 1025056819 /nfs/dbraw/zinc/05/68/19/1025056819.db2.gz KNTUDVRZSXLMNO-FATZIPQQSA-N 1 2 334.485 3.866 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000515231711 1025098910 /nfs/dbraw/zinc/09/89/10/1025098910.db2.gz GSIMIRKBFNROCR-DYVFJYSZSA-N 1 2 340.423 3.749 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000515231711 1025098924 /nfs/dbraw/zinc/09/89/24/1025098924.db2.gz GSIMIRKBFNROCR-DYVFJYSZSA-N 1 2 340.423 3.749 20 0 EHADLO O=C(CSC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054830909 1025113405 /nfs/dbraw/zinc/11/34/05/1025113405.db2.gz KPJCQSNIJPMBBW-UHFFFAOYSA-N 1 2 348.512 3.523 20 0 EHADLO C[C@@H](Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1)n1cc[nH+]c1 ZINC000563234193 1025121954 /nfs/dbraw/zinc/12/19/54/1025121954.db2.gz VGLAYZWOHLYYLF-VIFPVBQESA-N 1 2 340.280 3.895 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC(C)(C)C2CCCC2)C1 ZINC000152055549 1025129353 /nfs/dbraw/zinc/12/93/53/1025129353.db2.gz IOVWQTISNQVTOL-INIZCTEOSA-N 1 2 346.519 3.601 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2c1C ZINC000342386464 1025139228 /nfs/dbraw/zinc/13/92/28/1025139228.db2.gz QWRCDRYLPSGJAP-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443986665 1025159919 /nfs/dbraw/zinc/15/99/19/1025159919.db2.gz LDSKLBMVGYZOQR-UHFFFAOYSA-N 1 2 331.363 3.636 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cnccn2)c(-c2ccccc2)s1 ZINC000442098350 1025167675 /nfs/dbraw/zinc/16/76/75/1025167675.db2.gz PWNUIIRQQKJQSV-ZDUSSCGKSA-N 1 2 340.452 3.597 20 0 EHADLO CC[N@H+](Cc1oc(C(C)C)nc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000428243895 1025190062 /nfs/dbraw/zinc/19/00/62/1025190062.db2.gz CJCQGUFNGVKMLZ-QGZVFWFLSA-N 1 2 341.455 3.734 20 0 EHADLO CC[N@@H+](Cc1oc(C(C)C)nc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000428243895 1025190068 /nfs/dbraw/zinc/19/00/68/1025190068.db2.gz CJCQGUFNGVKMLZ-QGZVFWFLSA-N 1 2 341.455 3.734 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444033808 1025192577 /nfs/dbraw/zinc/19/25/77/1025192577.db2.gz OSYXSJLMTPRIQM-DLBZAZTESA-N 1 2 334.508 3.910 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(COC(C)(C)C)cc2)c[nH+]1 ZINC000896895636 1025192803 /nfs/dbraw/zinc/19/28/03/1025192803.db2.gz UMAWIJBFYROKHR-UHFFFAOYSA-N 1 2 329.444 3.880 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000602920113 1033265124 /nfs/dbraw/zinc/26/51/24/1033265124.db2.gz KCULLXYRLHIYGB-UHFFFAOYSA-N 1 2 333.284 3.759 20 0 EHADLO Clc1ccc(Cl)c(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000342400548 1025197489 /nfs/dbraw/zinc/19/74/89/1025197489.db2.gz VKNRXZATGNQVHR-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000442203217 1025201026 /nfs/dbraw/zinc/20/10/26/1025201026.db2.gz CFEFWCUMNHMVFX-UHFFFAOYSA-N 1 2 340.761 3.753 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000152117174 1025214905 /nfs/dbraw/zinc/21/49/05/1025214905.db2.gz KPEHUYGSLJISSR-PKOBYXMFSA-N 1 2 325.456 3.883 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000431350905 1025221914 /nfs/dbraw/zinc/22/19/14/1025221914.db2.gz PSQATCRTWQLPDB-GOSISDBHSA-N 1 2 333.391 3.549 20 0 EHADLO C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192930295 1025225248 /nfs/dbraw/zinc/22/52/48/1025225248.db2.gz URNKFVQDIMVDIK-OAHLLOKOSA-N 1 2 346.434 3.938 20 0 EHADLO Cc1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc[nH+]1 ZINC000346837917 1025226485 /nfs/dbraw/zinc/22/64/85/1025226485.db2.gz DZKQBNKEGJFVAP-UHFFFAOYSA-N 1 2 333.313 3.575 20 0 EHADLO COc1ccc2c(c1OC)CC[N@@H+](Cc1oc(C(C)C)nc1C)C2 ZINC000428299188 1025237868 /nfs/dbraw/zinc/23/78/68/1025237868.db2.gz DMKJFUZTKHRLGK-UHFFFAOYSA-N 1 2 330.428 3.682 20 0 EHADLO COc1ccc2c(c1OC)CC[N@H+](Cc1oc(C(C)C)nc1C)C2 ZINC000428299188 1025237877 /nfs/dbraw/zinc/23/78/77/1025237877.db2.gz DMKJFUZTKHRLGK-UHFFFAOYSA-N 1 2 330.428 3.682 20 0 EHADLO C[C@@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)CC(C)(C)C ZINC000190983208 1025265704 /nfs/dbraw/zinc/26/57/04/1025265704.db2.gz HNOBRPRQEFKIJM-DLBZAZTESA-N 1 2 348.535 3.847 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000346918185 1025312070 /nfs/dbraw/zinc/31/20/70/1025312070.db2.gz AAYKXYMRKYRFTG-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000346918185 1025312079 /nfs/dbraw/zinc/31/20/79/1025312079.db2.gz AAYKXYMRKYRFTG-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc(C)c1Cl ZINC000442436698 1025318788 /nfs/dbraw/zinc/31/87/88/1025318788.db2.gz CVVUTPDVKQKURV-AWEZNQCLSA-N 1 2 344.846 3.752 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2c(c1)N=S=N2 ZINC000277481756 1025319786 /nfs/dbraw/zinc/31/97/86/1025319786.db2.gz HZCLILKDAVWMAO-UHFFFAOYSA-N 1 2 343.456 3.724 20 0 EHADLO C[NH+](C)C1(c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)CC1 ZINC000896294258 1025322131 /nfs/dbraw/zinc/32/21/31/1025322131.db2.gz RMVGAHRMOBWZSC-UHFFFAOYSA-N 1 2 337.345 3.719 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436051011 1025331383 /nfs/dbraw/zinc/33/13/83/1025331383.db2.gz JTGOAKFHZJNFEM-NVXWUHKLSA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436051011 1025331395 /nfs/dbraw/zinc/33/13/95/1025331395.db2.gz JTGOAKFHZJNFEM-NVXWUHKLSA-N 1 2 349.837 3.681 20 0 EHADLO Fc1c(Cl)cccc1-c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000346944401 1025338086 /nfs/dbraw/zinc/33/80/86/1025338086.db2.gz FZMRXPUKQKXQFF-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346948651 1025343112 /nfs/dbraw/zinc/34/31/12/1025343112.db2.gz VSKDSPZITFVHEM-ZDUSSCGKSA-N 1 2 334.379 3.687 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC2(C1)CCCCC2 ZINC000665444967 1025354332 /nfs/dbraw/zinc/35/43/32/1025354332.db2.gz CAJLQACDUGQPRH-UHFFFAOYSA-N 1 2 342.483 3.818 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)c1nc(C2CC2)no1 ZINC000425459424 1025360828 /nfs/dbraw/zinc/36/08/28/1025360828.db2.gz PBOCQSUKHQBFBD-SFHVURJKSA-N 1 2 349.438 3.891 20 0 EHADLO CCc1noc([C@@H]2CC[C@@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896345506 1025367530 /nfs/dbraw/zinc/36/75/30/1025367530.db2.gz RYTCHNHHGCGJJC-ZIAGYGMSSA-N 1 2 327.432 3.746 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(F)c(Cl)c1 ZINC000346974346 1025372089 /nfs/dbraw/zinc/37/20/89/1025372089.db2.gz OYCGNNSHDXCKDL-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(F)c(Cl)c1 ZINC000346974346 1025372103 /nfs/dbraw/zinc/37/21/03/1025372103.db2.gz OYCGNNSHDXCKDL-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000896369387 1025385982 /nfs/dbraw/zinc/38/59/82/1025385982.db2.gz LEOMMRFLKNANOZ-QWHCGFSZSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000896369387 1025385985 /nfs/dbraw/zinc/38/59/85/1025385985.db2.gz LEOMMRFLKNANOZ-QWHCGFSZSA-N 1 2 348.365 3.557 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)[C@H]2CC(=O)c3ccccc32)ccc1Cl ZINC000281731112 1025429480 /nfs/dbraw/zinc/42/94/80/1025429480.db2.gz RXKIJDFXSNRPOE-INIZCTEOSA-N 1 2 342.826 3.710 20 0 EHADLO OC[C@]1([NH2+]Cc2ncc(-c3ccccc3)o2)CCCc2ccccc21 ZINC000281734220 1025433772 /nfs/dbraw/zinc/43/37/72/1025433772.db2.gz PYVIDRGMYCSZCJ-OAQYLSRUSA-N 1 2 334.419 3.655 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3cccc(OC4CC4)c3F)cn21 ZINC000657356870 1025439320 /nfs/dbraw/zinc/43/93/20/1025439320.db2.gz UDKHEYDGNYFQBY-UHFFFAOYSA-N 1 2 325.387 3.613 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C(C)C)nc1C ZINC000281759434 1025447799 /nfs/dbraw/zinc/44/77/99/1025447799.db2.gz WHDCZMRJUYQDAU-UHFFFAOYSA-N 1 2 342.487 3.850 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C(C)C)nc1C ZINC000281759434 1025447804 /nfs/dbraw/zinc/44/78/04/1025447804.db2.gz WHDCZMRJUYQDAU-UHFFFAOYSA-N 1 2 342.487 3.850 20 0 EHADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccccc1Oc1cccnc1 ZINC000602985109 1033286376 /nfs/dbraw/zinc/28/63/76/1033286376.db2.gz MEKPKDWOWOCXOE-UHFFFAOYSA-N 1 2 338.407 3.544 20 0 EHADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccccc1Oc1cccnc1 ZINC000602985109 1033286390 /nfs/dbraw/zinc/28/63/90/1033286390.db2.gz MEKPKDWOWOCXOE-UHFFFAOYSA-N 1 2 338.407 3.544 20 0 EHADLO CC1=CCC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000436250615 1025499057 /nfs/dbraw/zinc/49/90/57/1025499057.db2.gz COTPETLAFIFDFA-UHFFFAOYSA-N 1 2 331.416 3.540 20 0 EHADLO CC1=CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000436250615 1025499079 /nfs/dbraw/zinc/49/90/79/1025499079.db2.gz COTPETLAFIFDFA-UHFFFAOYSA-N 1 2 331.416 3.540 20 0 EHADLO CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000602992118 1033289691 /nfs/dbraw/zinc/28/96/91/1033289691.db2.gz SSSPGXGWVODLQR-SFHVURJKSA-N 1 2 328.460 3.702 20 0 EHADLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C2CC2)c1 ZINC000451111783 1025548175 /nfs/dbraw/zinc/54/81/75/1025548175.db2.gz HELZXQPVKMMKOL-JTQLQIEISA-N 1 2 325.334 3.903 20 0 EHADLO C[C@H](C(=O)N(Cc1ccco1)c1ccc(Cl)cc1)[NH+]1CC(C)C1 ZINC000582189959 1025552922 /nfs/dbraw/zinc/55/29/22/1025552922.db2.gz GLLLONJFEYYIMB-CQSZACIVSA-N 1 2 332.831 3.806 20 0 EHADLO COc1ccc2occ(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000442883963 1025565775 /nfs/dbraw/zinc/56/57/75/1025565775.db2.gz RCVHDFOZFULIJQ-UHFFFAOYSA-N 1 2 347.374 3.557 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)n1 ZINC000113505896 1025584055 /nfs/dbraw/zinc/58/40/55/1025584055.db2.gz DYEMEBHFOMNVMN-UHFFFAOYSA-N 1 2 329.444 3.776 20 0 EHADLO CC(C)CCc1noc(C[N@H+](Cc2cccc(O)c2)CC2CC2)n1 ZINC000113505896 1025584063 /nfs/dbraw/zinc/58/40/63/1025584063.db2.gz DYEMEBHFOMNVMN-UHFFFAOYSA-N 1 2 329.444 3.776 20 0 EHADLO CCCn1c(C)nnc1C[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000425516566 1025587197 /nfs/dbraw/zinc/58/71/97/1025587197.db2.gz VKNBCDJEDWJJAY-UHFFFAOYSA-N 1 2 336.867 3.683 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000436333949 1025601599 /nfs/dbraw/zinc/60/15/99/1025601599.db2.gz KXIZAUJAQXNPIO-JKSUJKDBSA-N 1 2 340.814 3.974 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCc3sccc31)C2 ZINC000530293438 1025604383 /nfs/dbraw/zinc/60/43/83/1025604383.db2.gz SPMBUZYAYWJYKT-OCCSQVGLSA-N 1 2 343.496 3.893 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCc3sccc31)CC2 ZINC000530293438 1025604393 /nfs/dbraw/zinc/60/43/93/1025604393.db2.gz SPMBUZYAYWJYKT-OCCSQVGLSA-N 1 2 343.496 3.893 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2cnccc2c1 ZINC000451189184 1025660854 /nfs/dbraw/zinc/66/08/54/1025660854.db2.gz RNJZCRWWHBREEF-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001167558452 1025678483 /nfs/dbraw/zinc/67/84/83/1025678483.db2.gz NSDGOAOFIZSSAL-IEBWSBKVSA-N 1 2 346.515 3.934 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001167558452 1025678495 /nfs/dbraw/zinc/67/84/95/1025678495.db2.gz NSDGOAOFIZSSAL-IEBWSBKVSA-N 1 2 346.515 3.934 20 0 EHADLO CNC(=O)CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCCCC1 ZINC000664552633 1025683347 /nfs/dbraw/zinc/68/33/47/1025683347.db2.gz PXGQEHANOHVVKW-UHFFFAOYSA-N 1 2 329.366 3.599 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000515865426 1025709960 /nfs/dbraw/zinc/70/99/60/1025709960.db2.gz IGWWIOVYIAJUSH-UHFFFAOYSA-N 1 2 344.503 3.569 20 0 EHADLO CCc1nc(C[N@H+](CC)CCc2ccc(C(F)(F)F)cc2)no1 ZINC000425546363 1025717798 /nfs/dbraw/zinc/71/77/98/1025717798.db2.gz VWPZYKUORLGSLH-UHFFFAOYSA-N 1 2 327.350 3.715 20 0 EHADLO CCc1nc(C[N@@H+](CC)CCc2ccc(C(F)(F)F)cc2)no1 ZINC000425546363 1025717818 /nfs/dbraw/zinc/71/78/18/1025717818.db2.gz VWPZYKUORLGSLH-UHFFFAOYSA-N 1 2 327.350 3.715 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257002 1025730716 /nfs/dbraw/zinc/73/07/16/1025730716.db2.gz FRNHSZIIHQNZCN-FMEYXAORSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257002 1025730722 /nfs/dbraw/zinc/73/07/22/1025730722.db2.gz FRNHSZIIHQNZCN-FMEYXAORSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CCSCC1 ZINC000474875685 1025744545 /nfs/dbraw/zinc/74/45/45/1025744545.db2.gz BRVSAESXUJRABD-KFWWJZLASA-N 1 2 335.517 3.639 20 0 EHADLO Cc1ncc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)s1 ZINC000347262471 1025760734 /nfs/dbraw/zinc/76/07/34/1025760734.db2.gz DLHCBCQGTYBXDO-UHFFFAOYSA-N 1 2 339.867 3.562 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348264420 1025762558 /nfs/dbraw/zinc/76/25/58/1025762558.db2.gz DPLTYMPAACCCDP-GQCTYLIASA-N 1 2 349.409 3.790 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000436499879 1025783912 /nfs/dbraw/zinc/78/39/12/1025783912.db2.gz XYWZKJJJWLWVET-QGZVFWFLSA-N 1 2 343.427 3.813 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1NC1CCCCC1 ZINC000530422104 1025793151 /nfs/dbraw/zinc/79/31/51/1025793151.db2.gz GKTRUFXPQBPLPS-UHFFFAOYSA-N 1 2 340.471 3.838 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3cc(F)c(F)cc31)C2 ZINC000474901402 1025821226 /nfs/dbraw/zinc/82/12/26/1025821226.db2.gz JFTPNIFTOGSWOC-LBPRGKRZSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3cc(F)c(F)cc31)CC2 ZINC000474901402 1025821238 /nfs/dbraw/zinc/82/12/38/1025821238.db2.gz JFTPNIFTOGSWOC-LBPRGKRZSA-N 1 2 345.393 3.506 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccnc(OCc2ccccc2)c1 ZINC000684820582 1025833052 /nfs/dbraw/zinc/83/30/52/1025833052.db2.gz CXDCTOAMCDHGCW-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000109784332 1025838727 /nfs/dbraw/zinc/83/87/27/1025838727.db2.gz YROZQGSLNWULCJ-LLVKDONJSA-N 1 2 336.794 3.816 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000109784332 1025838745 /nfs/dbraw/zinc/83/87/45/1025838745.db2.gz YROZQGSLNWULCJ-LLVKDONJSA-N 1 2 336.794 3.816 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cc(Cl)cc3c2OCC3)c1 ZINC000896665061 1025839525 /nfs/dbraw/zinc/83/95/25/1025839525.db2.gz BIKYRRRDTIIUHB-NSHDSACASA-N 1 2 346.814 3.559 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2c1O)N1CC[NH+](C2CCC2)CC1 ZINC000436554305 1025861637 /nfs/dbraw/zinc/86/16/37/1025861637.db2.gz KAOWCWOHXSSRSZ-UHFFFAOYSA-N 1 2 344.842 3.509 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)c(Br)c1 ZINC000530476645 1025888450 /nfs/dbraw/zinc/88/84/50/1025888450.db2.gz KQBUINRNBZLINH-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO c1coc(-c2nnc(SCCn3cc[nH+]c3)n2-c2ccccc2)c1 ZINC000121839764 1025908026 /nfs/dbraw/zinc/90/80/26/1025908026.db2.gz PJTWZOXCFGRWGG-UHFFFAOYSA-N 1 2 337.408 3.516 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193997341 1025921872 /nfs/dbraw/zinc/92/18/72/1025921872.db2.gz GPGWSMUNELAPLN-LBPRGKRZSA-N 1 2 336.382 3.518 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193997341 1025921889 /nfs/dbraw/zinc/92/18/89/1025921889.db2.gz GPGWSMUNELAPLN-LBPRGKRZSA-N 1 2 336.382 3.518 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051616594 1025937195 /nfs/dbraw/zinc/93/71/95/1025937195.db2.gz NSNQBIPUIRDFIR-UHFFFAOYSA-N 1 2 343.427 3.736 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2O1 ZINC000530502588 1025960689 /nfs/dbraw/zinc/96/06/89/1025960689.db2.gz OEFQFZRQJZLRKA-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2O1 ZINC000530502588 1025960703 /nfs/dbraw/zinc/96/07/03/1025960703.db2.gz OEFQFZRQJZLRKA-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CCc1cccnc1-c1noc([C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000582370286 1025999328 /nfs/dbraw/zinc/99/93/28/1025999328.db2.gz LSSIWWKRYDYAAB-MRXNPFEDSA-N 1 2 342.830 3.998 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028684288 1026007411 /nfs/dbraw/zinc/00/74/11/1026007411.db2.gz WSRGUOKKPSLNCQ-HNNXBMFYSA-N 1 2 343.496 3.865 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028684288 1026007428 /nfs/dbraw/zinc/00/74/28/1026007428.db2.gz WSRGUOKKPSLNCQ-HNNXBMFYSA-N 1 2 343.496 3.865 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCc3cccnc3)c12 ZINC000443418655 1026009737 /nfs/dbraw/zinc/00/97/37/1026009737.db2.gz ZFKXKHPPNXQOPI-UHFFFAOYSA-N 1 2 332.176 3.565 20 0 EHADLO C[C@]1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC=CCC1 ZINC000451486679 1026028536 /nfs/dbraw/zinc/02/85/36/1026028536.db2.gz DYOFTLOQHFKQDJ-FQEVSTJZSA-N 1 2 327.472 3.672 20 0 EHADLO COc1nsc(C[NH2+][C@@H](C)c2cnc(C)s2)c1Br ZINC000639382920 1026046929 /nfs/dbraw/zinc/04/69/29/1026046929.db2.gz LMRGEIPMQZEFOK-LURJTMIESA-N 1 2 348.291 3.530 20 0 EHADLO C[C@H](c1nncn1C)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451530938 1026051738 /nfs/dbraw/zinc/05/17/38/1026051738.db2.gz QHDVINMTVPZWDP-CYBMUJFWSA-N 1 2 336.842 3.576 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000121977103 1026066842 /nfs/dbraw/zinc/06/68/42/1026066842.db2.gz XXPCKNXZCDEKJC-NVALYEJGSA-N 1 2 330.472 3.671 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000121977103 1026066855 /nfs/dbraw/zinc/06/68/55/1026066855.db2.gz XXPCKNXZCDEKJC-NVALYEJGSA-N 1 2 330.472 3.671 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)noc1C1CC1 ZINC000191933793 1026067934 /nfs/dbraw/zinc/06/79/34/1026067934.db2.gz RGENNKWIQUJZGG-UHFFFAOYSA-N 1 2 345.447 3.563 20 0 EHADLO C1=Cc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2CC1 ZINC000329619516 1026082103 /nfs/dbraw/zinc/08/21/03/1026082103.db2.gz TWSHUIDQTAHBGU-ZWKOTPCHSA-N 1 2 337.423 3.622 20 0 EHADLO C1=Cc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2CC1 ZINC000329619516 1026082122 /nfs/dbraw/zinc/08/21/22/1026082122.db2.gz TWSHUIDQTAHBGU-ZWKOTPCHSA-N 1 2 337.423 3.622 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1sccc1-c1ccccc1 ZINC000152459326 1026153792 /nfs/dbraw/zinc/15/37/92/1026153792.db2.gz ADANNEDHIJMGTP-MRXNPFEDSA-N 1 2 349.459 3.819 20 0 EHADLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(C)cc2F)CC1 ZINC000896963673 1026164934 /nfs/dbraw/zinc/16/49/34/1026164934.db2.gz SWKGHDCWXRKLMO-UHFFFAOYSA-N 1 2 347.352 3.842 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C(C)C)C(C)C)s1 ZINC000122050981 1026166802 /nfs/dbraw/zinc/16/68/02/1026166802.db2.gz VOVLHEQWQUMWPY-AWEZNQCLSA-N 1 2 325.522 3.652 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C(C)C)C(C)C)s1 ZINC000122050981 1026166809 /nfs/dbraw/zinc/16/68/09/1026166809.db2.gz VOVLHEQWQUMWPY-AWEZNQCLSA-N 1 2 325.522 3.652 20 0 EHADLO CC(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)=C1CCCC1 ZINC000176668987 1026185632 /nfs/dbraw/zinc/18/56/32/1026185632.db2.gz YDZNSSJIAOVLRD-UHFFFAOYSA-N 1 2 341.499 3.728 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ncc(C)o1)c1cccc(C(F)(F)F)c1 ZINC000451689867 1026232053 /nfs/dbraw/zinc/23/20/53/1026232053.db2.gz KHVSURDQRQQRPC-CQSZACIVSA-N 1 2 328.334 3.869 20 0 EHADLO Cn1ncnc1C[NH2+]C1(c2ccccc2Br)CCCCC1 ZINC000451694042 1026233786 /nfs/dbraw/zinc/23/37/86/1026233786.db2.gz ZNHPAHUYVFUUNE-UHFFFAOYSA-N 1 2 349.276 3.527 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2cccc(C)c2)s1 ZINC000122177026 1026260705 /nfs/dbraw/zinc/26/07/05/1026260705.db2.gz MXEMZGKGMPCFRI-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2cccc(C)c2)s1 ZINC000122177026 1026260719 /nfs/dbraw/zinc/26/07/19/1026260719.db2.gz MXEMZGKGMPCFRI-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451847093 1026342269 /nfs/dbraw/zinc/34/22/69/1026342269.db2.gz XPSGLBMYIYEHQZ-VQIMIIECSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451847093 1026342282 /nfs/dbraw/zinc/34/22/82/1026342282.db2.gz XPSGLBMYIYEHQZ-VQIMIIECSA-N 1 2 338.451 3.820 20 0 EHADLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(N2CCCC2)c1 ZINC000934496410 1026436019 /nfs/dbraw/zinc/43/60/19/1026436019.db2.gz ZXSKMNMRLHUJAD-CQSZACIVSA-N 1 2 334.423 3.654 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159183010 1026520570 /nfs/dbraw/zinc/52/05/70/1026520570.db2.gz DTQGAVPUCQSPKP-IYBDPMFKSA-N 1 2 342.443 3.662 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1CC(c2cccc(F)c2)C1 ZINC000582539302 1026525383 /nfs/dbraw/zinc/52/53/83/1026525383.db2.gz HMVSRYRYPQAMPR-UHFFFAOYSA-N 1 2 341.430 3.511 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000582549773 1026547360 /nfs/dbraw/zinc/54/73/60/1026547360.db2.gz JNIQDXHEXAZIAY-MRXNPFEDSA-N 1 2 329.444 3.922 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582549767 1026547379 /nfs/dbraw/zinc/54/73/79/1026547379.db2.gz JGRBVLZDXHKCQV-ZFWWWQNUSA-N 1 2 339.361 3.953 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)c(F)cc1F ZINC000729576136 1026558359 /nfs/dbraw/zinc/55/83/59/1026558359.db2.gz PFYDLLRPPUJBOM-CQSZACIVSA-N 1 2 340.349 3.537 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159256570 1026567547 /nfs/dbraw/zinc/56/75/47/1026567547.db2.gz BWTXJYUTOWEUCB-UHFFFAOYSA-N 1 2 330.432 3.662 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452206820 1026574443 /nfs/dbraw/zinc/57/44/43/1026574443.db2.gz LZIDSJHNJREOJM-CQSZACIVSA-N 1 2 329.831 3.888 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000168023174 1026651012 /nfs/dbraw/zinc/65/10/12/1026651012.db2.gz MWCPTDBBMWMKAL-ZBFHGGJFSA-N 1 2 328.460 3.986 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000452333773 1026664616 /nfs/dbraw/zinc/66/46/16/1026664616.db2.gz KFPSSGUBBJFTPR-MNOVXSKESA-N 1 2 333.794 3.754 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000452332616 1026664716 /nfs/dbraw/zinc/66/47/16/1026664716.db2.gz HSMWXQUJCVLEOP-QWHCGFSZSA-N 1 2 347.365 3.563 20 0 EHADLO CC(C)[C@@H]1C[C@H](Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CS1 ZINC000475440963 1026706044 /nfs/dbraw/zinc/70/60/44/1026706044.db2.gz OLAQINOHNFKQHC-FSDCSDTHSA-N 1 2 335.517 3.637 20 0 EHADLO CCCn1nccc1C[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000657486478 1026714211 /nfs/dbraw/zinc/71/42/11/1026714211.db2.gz BQQMDOHXBIJADG-LJQANCHMSA-N 1 2 325.412 3.774 20 0 EHADLO C[NH+](C)[C@H](CNc1ncnc2ccccc21)c1c(F)cccc1F ZINC000301249505 1026736752 /nfs/dbraw/zinc/73/67/52/1026736752.db2.gz BTKNZKSKPZZYEN-MRXNPFEDSA-N 1 2 328.366 3.623 20 0 EHADLO CNc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c[nH+]1 ZINC000301316184 1026759427 /nfs/dbraw/zinc/75/94/27/1026759427.db2.gz NGZLWHXXPXIQER-UHFFFAOYSA-N 1 2 346.316 3.738 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(OC)CC1 ZINC000301364200 1026777548 /nfs/dbraw/zinc/77/75/48/1026777548.db2.gz RPRHDDAXECUPER-UHFFFAOYSA-N 1 2 342.439 3.644 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccncc1 ZINC000342712049 1026802898 /nfs/dbraw/zinc/80/28/98/1026802898.db2.gz ILESEPKVHYCRFK-MSOLQXFVSA-N 1 2 334.423 3.594 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@@H](C)C1 ZINC001625944175 1026831281 /nfs/dbraw/zinc/83/12/81/1026831281.db2.gz FFPRYQPSRFTJPQ-CPFIRTDXSA-N 1 2 344.499 3.720 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@@H](C)C1 ZINC001625944175 1026831288 /nfs/dbraw/zinc/83/12/88/1026831288.db2.gz FFPRYQPSRFTJPQ-CPFIRTDXSA-N 1 2 344.499 3.720 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025419931 1026858929 /nfs/dbraw/zinc/85/89/29/1026858929.db2.gz DBSOPUXFJALZNJ-JOCHJYFZSA-N 1 2 345.446 3.962 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccc(F)cc1 ZINC000025416390 1026859230 /nfs/dbraw/zinc/85/92/30/1026859230.db2.gz KVOBEAPMOYJBLL-HXUWFJFHSA-N 1 2 335.382 3.538 20 0 EHADLO Cc1nc(N2CCC([C@@H](O)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000301578071 1026860697 /nfs/dbraw/zinc/86/06/97/1026860697.db2.gz REJWLIDVXYUSIJ-FQEVSTJZSA-N 1 2 337.467 3.614 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684964990 1026871802 /nfs/dbraw/zinc/87/18/02/1026871802.db2.gz CHZZIPYEPSNIRM-TXEJJXNPSA-N 1 2 343.315 3.945 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684964990 1026871807 /nfs/dbraw/zinc/87/18/07/1026871807.db2.gz CHZZIPYEPSNIRM-TXEJJXNPSA-N 1 2 343.315 3.945 20 0 EHADLO CCSc1ccccc1CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001125614291 1026899135 /nfs/dbraw/zinc/89/91/35/1026899135.db2.gz SFPMEUVTAFTPRM-UHFFFAOYSA-N 1 2 325.437 3.936 20 0 EHADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccncc1F ZINC000123017646 1026934156 /nfs/dbraw/zinc/93/41/56/1026934156.db2.gz DFNFIQQPSPBVBY-UHFFFAOYSA-N 1 2 349.409 3.862 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000123050586 1026943178 /nfs/dbraw/zinc/94/31/78/1026943178.db2.gz PZXFJPPCWUATQN-NWDGAFQWSA-N 1 2 342.374 3.691 20 0 EHADLO c1ccc([C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)C2CC2)cc1 ZINC000431472199 1026950455 /nfs/dbraw/zinc/95/04/55/1026950455.db2.gz NQWBUDSSOHTHDW-QGZVFWFLSA-N 1 2 340.496 3.636 20 0 EHADLO c1ccc([C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)C2CC2)cc1 ZINC000431472199 1026950462 /nfs/dbraw/zinc/95/04/62/1026950462.db2.gz NQWBUDSSOHTHDW-QGZVFWFLSA-N 1 2 340.496 3.636 20 0 EHADLO CN(CCCNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1 ZINC000301834859 1026957239 /nfs/dbraw/zinc/95/72/39/1026957239.db2.gz KRXMNQBYTWYFOC-UHFFFAOYSA-N 1 2 338.459 3.520 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000025614353 1026962580 /nfs/dbraw/zinc/96/25/80/1026962580.db2.gz PDFGQFSLUDEIPA-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C12CCCC2 ZINC000301850940 1026963399 /nfs/dbraw/zinc/96/33/99/1026963399.db2.gz ALQBNQWQWFDFAP-LSDHHAIUSA-N 1 2 343.475 3.731 20 0 EHADLO Cc1ccc(C[C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)s1 ZINC000301854431 1026965292 /nfs/dbraw/zinc/96/52/92/1026965292.db2.gz BOYWIRGWCBYKNT-NSHDSACASA-N 1 2 329.473 3.994 20 0 EHADLO COCCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCC1 ZINC000301863180 1026969101 /nfs/dbraw/zinc/96/91/01/1026969101.db2.gz ATIDWQKJUNRMDM-UHFFFAOYSA-N 1 2 331.464 3.590 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1cccc(F)c1 ZINC000301883248 1026978541 /nfs/dbraw/zinc/97/85/41/1026978541.db2.gz KZNMQTYAPLSSOT-GFCCVEGCSA-N 1 2 343.406 3.600 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903038 1026986928 /nfs/dbraw/zinc/98/69/28/1026986928.db2.gz WYXOHSPJLAISPC-CHWSQXEVSA-N 1 2 333.505 3.692 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccn(C2CCCC2)n1 ZINC000301944670 1027004056 /nfs/dbraw/zinc/00/40/56/1027004056.db2.gz WWMXLRVGDJBOCE-UHFFFAOYSA-N 1 2 339.447 3.505 20 0 EHADLO Cc1nc(N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C)c(C)[nH+]1 ZINC000301982148 1027013041 /nfs/dbraw/zinc/01/30/41/1027013041.db2.gz AFUIVVBPJVSPTO-KRWDZBQOSA-N 1 2 348.454 3.571 20 0 EHADLO CCc1cc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000302038831 1027031692 /nfs/dbraw/zinc/03/16/92/1027031692.db2.gz GYISSBDNIVGVPS-ZDUSSCGKSA-N 1 2 346.425 3.509 20 0 EHADLO COCCOc1cc(C)ccc1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302062472 1027040112 /nfs/dbraw/zinc/04/01/12/1027040112.db2.gz BWZIBMXCGBNUPJ-UHFFFAOYSA-N 1 2 341.455 3.610 20 0 EHADLO CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531560187 1027046139 /nfs/dbraw/zinc/04/61/39/1027046139.db2.gz MISGBIJBUQBALE-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO Cc1nc(NC[C@H](C)c2nc(-c3ccccc3)no2)c2c([nH+]1)CCCC2 ZINC000302099723 1027052134 /nfs/dbraw/zinc/05/21/34/1027052134.db2.gz PKSBPMUZDDVCSR-ZDUSSCGKSA-N 1 2 349.438 3.929 20 0 EHADLO Cc1c[nH+]c(CN(CCc2ccc(C)cc2)CC(F)(F)F)n1C ZINC000342792189 1027080419 /nfs/dbraw/zinc/08/04/19/1027080419.db2.gz PJNLKSQDLFSYAR-UHFFFAOYSA-N 1 2 325.378 3.644 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccnc1 ZINC000125658658 1027106324 /nfs/dbraw/zinc/10/63/24/1027106324.db2.gz DMPLGGYKRBDZGE-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccnc1 ZINC000125658658 1027106333 /nfs/dbraw/zinc/10/63/33/1027106333.db2.gz DMPLGGYKRBDZGE-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO Cc1ccc(CN(C)c2cc(N(C)Cc3ccc(C)o3)[nH+]cn2)o1 ZINC000302256634 1027112242 /nfs/dbraw/zinc/11/22/42/1027112242.db2.gz ZLRUWGQBPYOZHT-UHFFFAOYSA-N 1 2 326.400 3.552 20 0 EHADLO COCCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCCC1 ZINC000302392162 1027137475 /nfs/dbraw/zinc/13/74/75/1027137475.db2.gz FYPVAYQYKFBWAM-UHFFFAOYSA-N 1 2 345.491 3.980 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CCCCS3)n2)c1 ZINC000272840793 1027141483 /nfs/dbraw/zinc/14/14/83/1027141483.db2.gz OAAPLEPUGWSATB-MRXNPFEDSA-N 1 2 345.468 3.527 20 0 EHADLO CCCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075534441 1027146670 /nfs/dbraw/zinc/14/66/70/1027146670.db2.gz BGYNGMYSJSNCQZ-PYUISTEWSA-N 1 2 339.439 3.618 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2nc(-c3cccc(C)c3)c[nH]2)n1C ZINC000342800440 1027149715 /nfs/dbraw/zinc/14/97/15/1027149715.db2.gz RTSHYJOFHLNQTF-SFHVURJKSA-N 1 2 335.455 3.764 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126112498 1027161862 /nfs/dbraw/zinc/16/18/62/1027161862.db2.gz GOEKRQMWOPDPJH-IEBWSBKVSA-N 1 2 325.456 3.624 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126112269 1027162558 /nfs/dbraw/zinc/16/25/58/1027162558.db2.gz GOEKRQMWOPDPJH-PKOBYXMFSA-N 1 2 325.456 3.624 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557480 1027170748 /nfs/dbraw/zinc/17/07/48/1027170748.db2.gz NQFZIBAHBQNVIN-STQMWFEESA-N 1 2 349.887 3.950 20 0 EHADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556207 1027171824 /nfs/dbraw/zinc/17/18/24/1027171824.db2.gz QRCIFYOYJOFJBK-HNNXBMFYSA-N 1 2 348.450 3.790 20 0 EHADLO CCn1ccnc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126231989 1027179551 /nfs/dbraw/zinc/17/95/51/1027179551.db2.gz XZNKRJYAAUPWAW-CYBMUJFWSA-N 1 2 340.254 3.863 20 0 EHADLO CCn1ccnc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126231989 1027179566 /nfs/dbraw/zinc/17/95/66/1027179566.db2.gz XZNKRJYAAUPWAW-CYBMUJFWSA-N 1 2 340.254 3.863 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2cccc(Br)c2)n1C ZINC000342804199 1027201106 /nfs/dbraw/zinc/20/11/06/1027201106.db2.gz AZYNNJNJHKFHMF-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO COc1ccc2oc(C[NH2+][C@H]3CCCn4nc(C(C)C)nc43)cc2c1 ZINC000126599333 1027221545 /nfs/dbraw/zinc/22/15/45/1027221545.db2.gz SQJODBPDSMPIKM-INIZCTEOSA-N 1 2 340.427 3.781 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000076054724 1027231768 /nfs/dbraw/zinc/23/17/68/1027231768.db2.gz SIQDLQLVBGRPSC-MSOLQXFVSA-N 1 2 338.455 3.758 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1[nH]ncc1Br ZINC000531713766 1027242228 /nfs/dbraw/zinc/24/22/28/1027242228.db2.gz QMUTUWIXUFXSMQ-AWEZNQCLSA-N 1 2 340.240 3.668 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000454220845 1027262720 /nfs/dbraw/zinc/26/27/20/1027262720.db2.gz BBWBBYGVWOCPBS-KRWDZBQOSA-N 1 2 344.503 3.650 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)ccc1Br ZINC000501410107 1027265637 /nfs/dbraw/zinc/26/56/37/1027265637.db2.gz LVDYPLLKCGXDQE-IAQYHMDHSA-N 1 2 343.240 3.518 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(F)C2)ccc1Br ZINC000501410107 1027265650 /nfs/dbraw/zinc/26/56/50/1027265650.db2.gz LVDYPLLKCGXDQE-IAQYHMDHSA-N 1 2 343.240 3.518 20 0 EHADLO C[C@]1(F)CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411285 1027267544 /nfs/dbraw/zinc/26/75/44/1027267544.db2.gz POZURYJIFBTKEL-MOPGFXCFSA-N 1 2 336.426 3.607 20 0 EHADLO C[C@]1(F)CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411285 1027267552 /nfs/dbraw/zinc/26/75/52/1027267552.db2.gz POZURYJIFBTKEL-MOPGFXCFSA-N 1 2 336.426 3.607 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)[nH]1 ZINC000655753626 1027303991 /nfs/dbraw/zinc/30/39/91/1027303991.db2.gz ADXJKBMGHNVQLX-CYBMUJFWSA-N 1 2 341.484 3.958 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000127570276 1027325267 /nfs/dbraw/zinc/32/52/67/1027325267.db2.gz ZCVRSRJNJZSNMN-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000127570276 1027325280 /nfs/dbraw/zinc/32/52/80/1027325280.db2.gz ZCVRSRJNJZSNMN-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO c1cc(C2CC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302866025 1027334187 /nfs/dbraw/zinc/33/41/87/1027334187.db2.gz YJLINKWRUZCBQP-UHFFFAOYSA-N 1 2 326.469 3.519 20 0 EHADLO c1cc(C2CC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302866025 1027334202 /nfs/dbraw/zinc/33/42/02/1027334202.db2.gz YJLINKWRUZCBQP-UHFFFAOYSA-N 1 2 326.469 3.519 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c2ncnn21 ZINC000657570360 1027335237 /nfs/dbraw/zinc/33/52/37/1027335237.db2.gz RVAMWSHDFFWPPD-ABAIWWIYSA-N 1 2 328.803 3.987 20 0 EHADLO CC(C)CCOCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453083367 1027338707 /nfs/dbraw/zinc/33/87/07/1027338707.db2.gz IKLFJGYZZUTKCV-QGZVFWFLSA-N 1 2 335.879 3.815 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1nc(C2CCCCC2)no1 ZINC000273259270 1027340947 /nfs/dbraw/zinc/34/09/47/1027340947.db2.gz BUTRUENLLHZQHP-LLVKDONJSA-N 1 2 343.456 3.973 20 0 EHADLO Cc1nc2ccccc2nc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337220871 1027341720 /nfs/dbraw/zinc/34/17/20/1027341720.db2.gz KUBKBHFTPKGXMT-KRWDZBQOSA-N 1 2 345.805 3.554 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c2ncnn21 ZINC000657568424 1027348432 /nfs/dbraw/zinc/34/84/32/1027348432.db2.gz GGXVYDBGGCITOX-QMTHXVAHSA-N 1 2 345.859 3.851 20 0 EHADLO Cc1ccc2nc([C@H]3CCCN(c4[nH+]cnc5[nH]ccc54)C3)[nH]c2c1 ZINC000273318991 1027371959 /nfs/dbraw/zinc/37/19/59/1027371959.db2.gz OZXURJXHFGCNHA-ZDUSSCGKSA-N 1 2 332.411 3.527 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046059252 1027387803 /nfs/dbraw/zinc/38/78/03/1027387803.db2.gz WTQCERAWRYGTSH-FQEVSTJZSA-N 1 2 337.398 3.651 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046059252 1027387818 /nfs/dbraw/zinc/38/78/18/1027387818.db2.gz WTQCERAWRYGTSH-FQEVSTJZSA-N 1 2 337.398 3.651 20 0 EHADLO C[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000273465185 1027442540 /nfs/dbraw/zinc/44/25/40/1027442540.db2.gz DPBFIDJDYKNFDZ-HNNXBMFYSA-N 1 2 332.407 3.811 20 0 EHADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273550216 1027489546 /nfs/dbraw/zinc/48/95/46/1027489546.db2.gz VENSNADSAKUTLH-HZPDHXFCSA-N 1 2 333.407 3.684 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273550216 1027489552 /nfs/dbraw/zinc/48/95/52/1027489552.db2.gz VENSNADSAKUTLH-HZPDHXFCSA-N 1 2 333.407 3.684 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCCC(F)(F)C1)Cc1ccccc1Cl ZINC000501756629 1027513542 /nfs/dbraw/zinc/51/35/42/1027513542.db2.gz YNKBSIKNQZZEAT-CQSZACIVSA-N 1 2 344.833 3.856 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCCC(F)(F)C1)Cc1ccccc1Cl ZINC000501756629 1027513553 /nfs/dbraw/zinc/51/35/53/1027513553.db2.gz YNKBSIKNQZZEAT-CQSZACIVSA-N 1 2 344.833 3.856 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccs2)c2nccn2C)cc1 ZINC000129085986 1027518493 /nfs/dbraw/zinc/51/84/93/1027518493.db2.gz IZJOYZJVUXBBTN-SUMWQHHRSA-N 1 2 327.453 3.930 20 0 EHADLO OCC[N@H+](Cc1sccc1Br)Cc1ccccc1 ZINC000050515229 1027519434 /nfs/dbraw/zinc/51/94/34/1027519434.db2.gz ARVDVVLLVAEPHZ-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO OCC[N@@H+](Cc1sccc1Br)Cc1ccccc1 ZINC000050515229 1027519439 /nfs/dbraw/zinc/51/94/39/1027519439.db2.gz ARVDVVLLVAEPHZ-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)no1 ZINC000536578096 1027529271 /nfs/dbraw/zinc/52/92/71/1027529271.db2.gz OYPKFWZMNWIFOK-UHFFFAOYSA-N 1 2 326.371 3.991 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c(C)c1 ZINC000261386168 1027544830 /nfs/dbraw/zinc/54/48/30/1027544830.db2.gz HDOVABZEMGRRIL-QGZVFWFLSA-N 1 2 328.456 3.557 20 0 EHADLO Cc1cc(C)c(CCNC(=O)C[N@H+](C)[C@H](C)c2ccco2)c(C)c1 ZINC000261386168 1027544841 /nfs/dbraw/zinc/54/48/41/1027544841.db2.gz HDOVABZEMGRRIL-QGZVFWFLSA-N 1 2 328.456 3.557 20 0 EHADLO CC(=O)NC1CCC(N(C)c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342838903 1027559032 /nfs/dbraw/zinc/55/90/32/1027559032.db2.gz IQSJHKVEYRNKEF-UHFFFAOYSA-N 1 2 331.847 3.772 20 0 EHADLO Cc1[nH+]cc(CNc2ncccc2Br)n1-c1ccccc1 ZINC000342843047 1027594628 /nfs/dbraw/zinc/59/46/28/1027594628.db2.gz DNXLRSJFKAEIJG-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CC[C@@H]1C[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCO1 ZINC000273756169 1027601806 /nfs/dbraw/zinc/60/18/06/1027601806.db2.gz NZADSORUDXYGFT-IAGOWNOFSA-N 1 2 338.411 3.654 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1F ZINC000129814173 1027607276 /nfs/dbraw/zinc/60/72/76/1027607276.db2.gz LVCGXWABLGFJHT-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cc2cc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000129880922 1027612654 /nfs/dbraw/zinc/61/26/54/1027612654.db2.gz ZUTAMOOTEYTPJI-ACJLOTCBSA-N 1 2 337.427 3.788 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1CCC1 ZINC000501866765 1027619319 /nfs/dbraw/zinc/61/93/19/1027619319.db2.gz ZTDVDJOBNCWBIP-AWEZNQCLSA-N 1 2 347.455 3.558 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1CCC1 ZINC000501866765 1027619327 /nfs/dbraw/zinc/61/93/27/1027619327.db2.gz ZTDVDJOBNCWBIP-AWEZNQCLSA-N 1 2 347.455 3.558 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1cccc(OC)c1 ZINC000657611844 1027627593 /nfs/dbraw/zinc/62/75/93/1027627593.db2.gz GTHCIYPDHQBDIE-KRWDZBQOSA-N 1 2 325.330 3.590 20 0 EHADLO Cc1cc(CNC(=O)N2CC(Cc3ccccc3Cl)C2)cc(C)[nH+]1 ZINC000422209639 1027638067 /nfs/dbraw/zinc/63/80/67/1027638067.db2.gz ODSUYNUGGUJIAB-UHFFFAOYSA-N 1 2 343.858 3.736 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000105895718 1027655725 /nfs/dbraw/zinc/65/57/25/1027655725.db2.gz CKVIHMSPLAFYPP-HUUCEWRRSA-N 1 2 331.464 3.661 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000105895718 1027655732 /nfs/dbraw/zinc/65/57/32/1027655732.db2.gz CKVIHMSPLAFYPP-HUUCEWRRSA-N 1 2 331.464 3.661 20 0 EHADLO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000078330027 1027663463 /nfs/dbraw/zinc/66/34/63/1027663463.db2.gz OHCVYYSZOBLNNT-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO CC[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000420642157 1027664915 /nfs/dbraw/zinc/66/49/15/1027664915.db2.gz SMEIYUKUFWCERM-UONOGXRCSA-N 1 2 335.245 3.789 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000422264269 1027675442 /nfs/dbraw/zinc/67/54/42/1027675442.db2.gz QDLPBYIFUNMPHY-OAHLLOKOSA-N 1 2 348.397 3.695 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000422264269 1027675450 /nfs/dbraw/zinc/67/54/50/1027675450.db2.gz QDLPBYIFUNMPHY-OAHLLOKOSA-N 1 2 348.397 3.695 20 0 EHADLO CC(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000611718258 1027681667 /nfs/dbraw/zinc/68/16/67/1027681667.db2.gz SJFUYQVGNWUFIO-KRWDZBQOSA-N 1 2 346.862 3.843 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130848338 1027709122 /nfs/dbraw/zinc/70/91/22/1027709122.db2.gz YTRZODGPKLMFPN-KRWDZBQOSA-N 1 2 343.446 3.804 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000342871252 1027777405 /nfs/dbraw/zinc/77/74/05/1027777405.db2.gz DJFWHHBQTDXUIM-KUHUBIRLSA-N 1 2 337.398 3.899 20 0 EHADLO O=C1OCCC12CC[NH+](Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000359864618 1027861623 /nfs/dbraw/zinc/86/16/23/1027861623.db2.gz BFMLXPIKASHMOZ-UHFFFAOYSA-N 1 2 347.764 3.888 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000503570680 1027911883 /nfs/dbraw/zinc/91/18/83/1027911883.db2.gz JYVSKHYLTABOPX-WQHGFKSBSA-N 1 2 345.430 3.809 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000503570680 1027911891 /nfs/dbraw/zinc/91/18/91/1027911891.db2.gz JYVSKHYLTABOPX-WQHGFKSBSA-N 1 2 345.430 3.809 20 0 EHADLO Cc1cc(NC(=O)NCCc2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536619677 1027916806 /nfs/dbraw/zinc/91/68/06/1027916806.db2.gz UJBCUXADPRSYCS-UHFFFAOYSA-N 1 2 337.345 3.503 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955304 1027920541 /nfs/dbraw/zinc/92/05/41/1027920541.db2.gz WEYCFJXCBJERRR-STQMWFEESA-N 1 2 345.413 3.904 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955304 1027920553 /nfs/dbraw/zinc/92/05/53/1027920553.db2.gz WEYCFJXCBJERRR-STQMWFEESA-N 1 2 345.413 3.904 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955301 1027922134 /nfs/dbraw/zinc/92/21/34/1027922134.db2.gz WEYCFJXCBJERRR-CHWSQXEVSA-N 1 2 345.413 3.904 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955301 1027922152 /nfs/dbraw/zinc/92/21/52/1027922152.db2.gz WEYCFJXCBJERRR-CHWSQXEVSA-N 1 2 345.413 3.904 20 0 EHADLO Cc1ncsc1C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000132446232 1027926181 /nfs/dbraw/zinc/92/61/81/1027926181.db2.gz PHVVBQOWJXIRGT-NSHDSACASA-N 1 2 347.875 3.845 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(C)c[nH+]1 ZINC000536620591 1027965181 /nfs/dbraw/zinc/96/51/81/1027965181.db2.gz AINDSRVHFWZONF-ABAIWWIYSA-N 1 2 333.794 3.590 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nccc(OC)c2F)cc1OC ZINC000657673524 1028002588 /nfs/dbraw/zinc/00/25/88/1028002588.db2.gz SZPNWFBVNIDODX-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO CC(C)[N@H+](Cc1nc2ccccc2c(=O)n1C)[C@@H](C)c1ccsc1 ZINC000421016756 1028003166 /nfs/dbraw/zinc/00/31/66/1028003166.db2.gz UZEPBBHIEGWOTP-AWEZNQCLSA-N 1 2 341.480 3.967 20 0 EHADLO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)n1C)[C@@H](C)c1ccsc1 ZINC000421016756 1028003187 /nfs/dbraw/zinc/00/31/87/1028003187.db2.gz UZEPBBHIEGWOTP-AWEZNQCLSA-N 1 2 341.480 3.967 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444510750 1028015701 /nfs/dbraw/zinc/01/57/01/1028015701.db2.gz PVMMVYKTGJJXIG-PXNSSMCTSA-N 1 2 343.430 3.624 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2cnccc2N)ccc1OCCC(C)C ZINC000422883712 1028019235 /nfs/dbraw/zinc/01/92/35/1028019235.db2.gz QXOKRAINEMGHIR-OAHLLOKOSA-N 1 2 343.471 3.778 20 0 EHADLO c1nc(C[NH+]2CCC(Oc3ccccn3)CC2)oc1-c1ccccc1 ZINC000533529516 1028024656 /nfs/dbraw/zinc/02/46/56/1028024656.db2.gz CXOYGMZXRIWFAS-UHFFFAOYSA-N 1 2 335.407 3.780 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533532531 1028027703 /nfs/dbraw/zinc/02/77/03/1028027703.db2.gz SHAWXWZMIAQBHP-UHFFFAOYSA-N 1 2 326.421 3.975 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533532531 1028027720 /nfs/dbraw/zinc/02/77/20/1028027720.db2.gz SHAWXWZMIAQBHP-UHFFFAOYSA-N 1 2 326.421 3.975 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(Cl)c2N(C)C)cc(C)[nH+]1 ZINC000421046577 1028032415 /nfs/dbraw/zinc/03/24/15/1028032415.db2.gz OAPPYIQDYFLSQO-UHFFFAOYSA-N 1 2 332.835 3.740 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccccc2OCC(F)F)cc(C)[nH+]1 ZINC000421061730 1028044096 /nfs/dbraw/zinc/04/40/96/1028044096.db2.gz FXPSDZPOQJTOKZ-UHFFFAOYSA-N 1 2 335.354 3.664 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(N(C)C(C)C)c2)cc(C)[nH+]1 ZINC000421067792 1028051589 /nfs/dbraw/zinc/05/15/89/1028051589.db2.gz QTNSKCAXZOOHGY-UHFFFAOYSA-N 1 2 326.444 3.865 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nncn1-c1ccccc1 ZINC000444604998 1028069097 /nfs/dbraw/zinc/06/90/97/1028069097.db2.gz CPOOUVLBYQPZJN-SFHVURJKSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nncn1-c1ccccc1 ZINC000444604998 1028069119 /nfs/dbraw/zinc/06/91/19/1028069119.db2.gz CPOOUVLBYQPZJN-SFHVURJKSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc(C)[nH+]1 ZINC000421092653 1028076806 /nfs/dbraw/zinc/07/68/06/1028076806.db2.gz HYNOMAWDBFJHMD-AWEZNQCLSA-N 1 2 329.366 3.619 20 0 EHADLO Cc1cc(N2CC3(CCC3)[C@H]2C2CCOCC2)nc(C2CCC2)[nH+]1 ZINC000894277557 1028109111 /nfs/dbraw/zinc/10/91/11/1028109111.db2.gz LKCLEIBESTYOQD-GOSISDBHSA-N 1 2 327.472 3.838 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444656406 1028120698 /nfs/dbraw/zinc/12/06/98/1028120698.db2.gz FKFUNTIAPAVHNC-MAUKXSAKSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OC(F)F)cc2F)cc(C)[nH+]1 ZINC000421129109 1028121304 /nfs/dbraw/zinc/12/13/04/1028121304.db2.gz XDQPFQYGRFHYBL-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669491 1028140138 /nfs/dbraw/zinc/14/01/38/1028140138.db2.gz DDWYQFRBPLYKPE-ROUUACIJSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669491 1028140145 /nfs/dbraw/zinc/14/01/45/1028140145.db2.gz DDWYQFRBPLYKPE-ROUUACIJSA-N 1 2 342.487 3.683 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000502387292 1028164153 /nfs/dbraw/zinc/16/41/53/1028164153.db2.gz IQFWBXGBFPTOIO-GOEBONIOSA-N 1 2 345.512 3.771 20 0 EHADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000246290684 1028166529 /nfs/dbraw/zinc/16/65/29/1028166529.db2.gz XURQUIYYURGQLQ-MNZLEMJZSA-N 1 2 340.471 3.555 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC000444696312 1028174154 /nfs/dbraw/zinc/17/41/54/1028174154.db2.gz VRXNWQFQXBQUQX-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC000444696312 1028174167 /nfs/dbraw/zinc/17/41/67/1028174167.db2.gz VRXNWQFQXBQUQX-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105241112 1028183009 /nfs/dbraw/zinc/18/30/09/1028183009.db2.gz HKNJJNDWOZZBPK-GOSISDBHSA-N 1 2 340.471 3.594 20 0 EHADLO COc1cc(F)cc(C[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455467377 1028198273 /nfs/dbraw/zinc/19/82/73/1028198273.db2.gz ARABAAUOJFUYLJ-ZDUSSCGKSA-N 1 2 345.418 3.907 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)sc1C ZINC000444736075 1028200164 /nfs/dbraw/zinc/20/01/64/1028200164.db2.gz PQMRCSVWMVHQCO-UHFFFAOYSA-N 1 2 335.448 3.532 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)sc1C ZINC000444736075 1028200179 /nfs/dbraw/zinc/20/01/79/1028200179.db2.gz PQMRCSVWMVHQCO-UHFFFAOYSA-N 1 2 335.448 3.532 20 0 EHADLO C[C@@H]1C[C@H](CSCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000421226444 1028211367 /nfs/dbraw/zinc/21/13/67/1028211367.db2.gz OLSHTSCRKCACBO-VQIMIIECSA-N 1 2 335.513 3.567 20 0 EHADLO O=C(COc1cccc(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502491695 1028247684 /nfs/dbraw/zinc/24/76/84/1028247684.db2.gz AHVPENGBEVSNLA-UHFFFAOYSA-N 1 2 327.771 3.748 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055057995 1028257538 /nfs/dbraw/zinc/25/75/38/1028257538.db2.gz KWAUJWDLYQCWAM-LLVKDONJSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055057995 1028257551 /nfs/dbraw/zinc/25/75/51/1028257551.db2.gz KWAUJWDLYQCWAM-LLVKDONJSA-N 1 2 338.354 3.648 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444774180 1028260179 /nfs/dbraw/zinc/26/01/79/1028260179.db2.gz VNSQVDCYJBNHFO-JTQLQIEISA-N 1 2 343.294 3.609 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)COc2ccc(F)cc2F)c(C)[nH+]1 ZINC000455491658 1028262937 /nfs/dbraw/zinc/26/29/37/1028262937.db2.gz YTZUMEDOLBZDST-LBPRGKRZSA-N 1 2 349.381 3.874 20 0 EHADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C2CC2)c1 ZINC000421322519 1028267312 /nfs/dbraw/zinc/26/73/12/1028267312.db2.gz TZNWSSCYWPGIOT-UHFFFAOYSA-N 1 2 329.465 3.600 20 0 EHADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C2CC2)c1 ZINC000421322519 1028267328 /nfs/dbraw/zinc/26/73/28/1028267328.db2.gz TZNWSSCYWPGIOT-UHFFFAOYSA-N 1 2 329.465 3.600 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(=O)OC(C)(C)C ZINC000455501384 1028274331 /nfs/dbraw/zinc/27/43/31/1028274331.db2.gz UOFMBYKALCZSHC-ZBEGNZNMSA-N 1 2 349.475 3.885 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c(C)[nH+]1 ZINC000455501348 1028274659 /nfs/dbraw/zinc/27/46/59/1028274659.db2.gz UKRNORFWEQIEJQ-CQSZACIVSA-N 1 2 327.428 3.807 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000246354988 1028275164 /nfs/dbraw/zinc/27/51/64/1028275164.db2.gz OKCSGDZWUDXPMA-QWHCGFSZSA-N 1 2 347.871 3.527 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000246354988 1028275178 /nfs/dbraw/zinc/27/51/78/1028275178.db2.gz OKCSGDZWUDXPMA-QWHCGFSZSA-N 1 2 347.871 3.527 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455535806 1028313874 /nfs/dbraw/zinc/31/38/74/1028313874.db2.gz BKTFXCHAOSJEAO-IBGZPJMESA-N 1 2 339.439 3.754 20 0 EHADLO COCCN(Cc1ccc(F)cc1Cl)Cc1cccc2[nH+]ccn21 ZINC000342954120 1028341215 /nfs/dbraw/zinc/34/12/15/1028341215.db2.gz WKIVIKXVBLKGPF-UHFFFAOYSA-N 1 2 347.821 3.775 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)Cn1cc[nH+]c1 ZINC000153608541 1028346169 /nfs/dbraw/zinc/34/61/69/1028346169.db2.gz UWQDSDVRGSBHJA-ZDUSSCGKSA-N 1 2 343.814 3.863 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000067133006 1028356218 /nfs/dbraw/zinc/35/62/18/1028356218.db2.gz ROECVKXCRLYBNQ-UZLBHIALSA-N 1 2 334.419 3.664 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421397618 1028375332 /nfs/dbraw/zinc/37/53/32/1028375332.db2.gz DTQBCDLZTGGERY-CQSZACIVSA-N 1 2 328.275 3.536 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421397618 1028375350 /nfs/dbraw/zinc/37/53/50/1028375350.db2.gz DTQBCDLZTGGERY-CQSZACIVSA-N 1 2 328.275 3.536 20 0 EHADLO COc1c(O)cccc1C[NH2+]Cc1cc(C)ccc1Br ZINC000414515426 1028376612 /nfs/dbraw/zinc/37/66/12/1028376612.db2.gz NISRAQYYGQRYIO-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cnc(C3CCCC3)s2)nn1 ZINC000421396040 1028376648 /nfs/dbraw/zinc/37/66/48/1028376648.db2.gz BFZIBZPIWIZIGY-UHFFFAOYSA-N 1 2 333.505 3.998 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000069610507 1028436188 /nfs/dbraw/zinc/43/61/88/1028436188.db2.gz SEHBDZCIHMELBU-CQSZACIVSA-N 1 2 325.368 3.675 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000069610507 1028436197 /nfs/dbraw/zinc/43/61/97/1028436197.db2.gz SEHBDZCIHMELBU-CQSZACIVSA-N 1 2 325.368 3.675 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](Nc2ccccc2)C(C)C)c[nH+]1 ZINC000455558753 1028452827 /nfs/dbraw/zinc/45/28/27/1028452827.db2.gz NKCYEZZESKQPNK-IBGZPJMESA-N 1 2 340.471 3.634 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCCCc2ccccc2)c[nH+]1 ZINC000455558644 1028452982 /nfs/dbraw/zinc/45/29/82/1028452982.db2.gz MSWQECCGBVUSNB-UHFFFAOYSA-N 1 2 325.456 3.863 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000070695578 1028459008 /nfs/dbraw/zinc/45/90/08/1028459008.db2.gz ROBCGAWVQDYBEN-IFXJQAMLSA-N 1 2 343.398 3.654 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(F)cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000070695578 1028459019 /nfs/dbraw/zinc/45/90/19/1028459019.db2.gz ROBCGAWVQDYBEN-IFXJQAMLSA-N 1 2 343.398 3.654 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000126046880 1028465726 /nfs/dbraw/zinc/46/57/26/1028465726.db2.gz OGAFYECPEFQSDT-HNNXBMFYSA-N 1 2 347.256 3.807 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000126046880 1028465732 /nfs/dbraw/zinc/46/57/32/1028465732.db2.gz OGAFYECPEFQSDT-HNNXBMFYSA-N 1 2 347.256 3.807 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(Oc3cccnc3)c(C)c1)C2 ZINC000897334391 1028475833 /nfs/dbraw/zinc/47/58/33/1028475833.db2.gz RSYDVHCVOPDMLP-UHFFFAOYSA-N 1 2 348.450 3.957 20 0 EHADLO C[N@H+](CCOc1ccc2ccccc2c1)Cc1nccn1C(F)F ZINC000071951916 1028492768 /nfs/dbraw/zinc/49/27/68/1028492768.db2.gz BYHVOTMFZLHYIO-UHFFFAOYSA-N 1 2 331.366 3.942 20 0 EHADLO C[N@@H+](CCOc1ccc2ccccc2c1)Cc1nccn1C(F)F ZINC000071951916 1028492776 /nfs/dbraw/zinc/49/27/76/1028492776.db2.gz BYHVOTMFZLHYIO-UHFFFAOYSA-N 1 2 331.366 3.942 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072026148 1028497560 /nfs/dbraw/zinc/49/75/60/1028497560.db2.gz VPJXNZAIYHOAQH-OAHLLOKOSA-N 1 2 332.407 3.533 20 0 EHADLO O=C(CCc1ccccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194432358 1028519442 /nfs/dbraw/zinc/51/94/42/1028519442.db2.gz IPYQJHFHAWSJRC-UHFFFAOYSA-N 1 2 346.434 3.853 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508518093 1028521282 /nfs/dbraw/zinc/52/12/82/1028521282.db2.gz LNMBECLGDREGCK-MDZRGWNJSA-N 1 2 332.488 3.882 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000428389969 1028528981 /nfs/dbraw/zinc/52/89/81/1028528981.db2.gz NGQPOCZLECHDLA-UHFFFAOYSA-N 1 2 347.890 3.907 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H](O)c1ccccc1 ZINC000072962649 1028530810 /nfs/dbraw/zinc/53/08/10/1028530810.db2.gz NGCCAJOUBFYTHO-IBGZPJMESA-N 1 2 347.418 3.559 20 0 EHADLO CCCOc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1OCC ZINC000421559593 1028534567 /nfs/dbraw/zinc/53/45/67/1028534567.db2.gz OZXHCLICSJWARR-UHFFFAOYSA-N 1 2 342.439 3.816 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)[nH+]c12 ZINC000523700857 1028553361 /nfs/dbraw/zinc/55/33/61/1028553361.db2.gz XGVBQLFDNLJSGM-WBAXXEDZSA-N 1 2 325.456 3.612 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc(C)[nH+]1 ZINC000421575712 1028570678 /nfs/dbraw/zinc/57/06/78/1028570678.db2.gz KSYTVYFQLYUGJV-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO Cc1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000122177073 1028576600 /nfs/dbraw/zinc/57/66/00/1028576600.db2.gz YHNIMQNPPGASJD-NSHDSACASA-N 1 2 328.441 3.969 20 0 EHADLO Cc1nc2cc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)ccc2o1 ZINC000074189815 1028600576 /nfs/dbraw/zinc/60/05/76/1028600576.db2.gz IYPGQMBDLYEDOI-UHFFFAOYSA-N 1 2 332.363 3.883 20 0 EHADLO CC1(C)C[NH+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000583034814 1028616704 /nfs/dbraw/zinc/61/67/04/1028616704.db2.gz QAXFJQJMUJEHQT-KRWDZBQOSA-N 1 2 346.521 3.626 20 0 EHADLO CC(C)Oc1ccccc1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000195247173 1028619975 /nfs/dbraw/zinc/61/99/75/1028619975.db2.gz LYPZITFQFZSSEP-UHFFFAOYSA-N 1 2 335.407 3.841 20 0 EHADLO CC[C@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1nc(C)cs1 ZINC000074567256 1028624964 /nfs/dbraw/zinc/62/49/64/1028624964.db2.gz URHUCNVGDBNRAZ-HNNXBMFYSA-N 1 2 340.452 3.827 20 0 EHADLO COc1ccccc1[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1nccn1C ZINC000237285095 1028646708 /nfs/dbraw/zinc/64/67/08/1028646708.db2.gz BOKJXZYBIZFLIQ-FQEVSTJZSA-N 1 2 346.434 3.789 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153707288 1028650031 /nfs/dbraw/zinc/65/00/31/1028650031.db2.gz FISHSJUJOUZCAA-MRXNPFEDSA-N 1 2 335.407 3.742 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cs1 ZINC000064992276 1028681995 /nfs/dbraw/zinc/68/19/95/1028681995.db2.gz OCXSIZDDDDACFX-UHFFFAOYSA-N 1 2 349.525 3.722 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000429737297 1028714787 /nfs/dbraw/zinc/71/47/87/1028714787.db2.gz LABBIWVPLUIFKB-GJYPPUQNSA-N 1 2 345.487 3.732 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000245464431 1028717706 /nfs/dbraw/zinc/71/77/06/1028717706.db2.gz HVVJQESEKNWKSS-GUYCJALGSA-N 1 2 327.428 3.819 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000245464431 1028717721 /nfs/dbraw/zinc/71/77/21/1028717721.db2.gz HVVJQESEKNWKSS-GUYCJALGSA-N 1 2 327.428 3.819 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000075684025 1028733779 /nfs/dbraw/zinc/73/37/79/1028733779.db2.gz DIWRPSYAQQOOKZ-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000075684025 1028733796 /nfs/dbraw/zinc/73/37/96/1028733796.db2.gz DIWRPSYAQQOOKZ-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(Sc2ccccc2)CCCC1 ZINC000523954258 1028740834 /nfs/dbraw/zinc/74/08/34/1028740834.db2.gz VPLOXZIFLIHMNO-UHFFFAOYSA-N 1 2 343.496 3.885 20 0 EHADLO C[C@@H](CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)Cn1cc[nH+]c1 ZINC000153789248 1028754654 /nfs/dbraw/zinc/75/46/54/1028754654.db2.gz UCCYIQJLLPNVFU-HNNXBMFYSA-N 1 2 331.419 3.520 20 0 EHADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000454339227 1028768516 /nfs/dbraw/zinc/76/85/16/1028768516.db2.gz ORTWJQTYBWJWIX-IXDOHACOSA-N 1 2 344.503 3.564 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000454341026 1028770988 /nfs/dbraw/zinc/77/09/88/1028770988.db2.gz QGZDLOBKDWEYQS-GOSISDBHSA-N 1 2 342.487 3.945 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000245532845 1028774327 /nfs/dbraw/zinc/77/43/27/1028774327.db2.gz IJQPEQJUYOMTDR-KGLIPLIRSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000245532845 1028774344 /nfs/dbraw/zinc/77/43/44/1028774344.db2.gz IJQPEQJUYOMTDR-KGLIPLIRSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324391 1028777671 /nfs/dbraw/zinc/77/76/71/1028777671.db2.gz GELOJBNIZCBFAZ-FCEWJHQRSA-N 1 2 343.446 3.701 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454328005 1028780659 /nfs/dbraw/zinc/78/06/59/1028780659.db2.gz RCWGRAXTHMHWFG-DLBZAZTESA-N 1 2 344.503 3.566 20 0 EHADLO O=C(N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000247412652 1028787774 /nfs/dbraw/zinc/78/77/74/1028787774.db2.gz JPEZDIHFPMFEAB-BHIYHBOVSA-N 1 2 336.439 3.520 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H](C)c1ccccc1 ZINC000247620337 1028788367 /nfs/dbraw/zinc/78/83/67/1028788367.db2.gz NDQBWVNCTFMXPL-NTDBWNAOSA-N 1 2 340.471 3.668 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247451188 1028790698 /nfs/dbraw/zinc/79/06/98/1028790698.db2.gz JFUWZWFBQHHPOB-SOLBZPMBSA-N 1 2 343.496 3.615 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1F ZINC000502896845 1028791916 /nfs/dbraw/zinc/79/19/16/1028791916.db2.gz WIVZHJMCWFUOOY-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1F ZINC000502896845 1028791931 /nfs/dbraw/zinc/79/19/31/1028791931.db2.gz WIVZHJMCWFUOOY-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)c(OC)c1OC ZINC000424134900 1028826267 /nfs/dbraw/zinc/82/62/67/1028826267.db2.gz OJGONAVDVWLZSL-UHFFFAOYSA-N 1 2 337.366 3.589 20 0 EHADLO CCC(C)(C)NC(=O)c1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000424170951 1028870155 /nfs/dbraw/zinc/87/01/55/1028870155.db2.gz LOKKPVPFZGHWEL-UHFFFAOYSA-N 1 2 328.460 3.995 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000445495360 1028873671 /nfs/dbraw/zinc/87/36/71/1028873671.db2.gz UFCVZZCJAAKDEI-HOTGVXAUSA-N 1 2 330.255 3.936 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000445495360 1028873689 /nfs/dbraw/zinc/87/36/89/1028873689.db2.gz UFCVZZCJAAKDEI-HOTGVXAUSA-N 1 2 330.255 3.936 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C(C)(C)c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC000343061437 1028895997 /nfs/dbraw/zinc/89/59/97/1028895997.db2.gz ACOVPFYXPDWWPM-UHFFFAOYSA-N 1 2 337.379 3.516 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000524141736 1028905521 /nfs/dbraw/zinc/90/55/21/1028905521.db2.gz XKYOVMRYYBQMPE-LLVKDONJSA-N 1 2 333.350 3.747 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000524141736 1028905531 /nfs/dbraw/zinc/90/55/31/1028905531.db2.gz XKYOVMRYYBQMPE-LLVKDONJSA-N 1 2 333.350 3.747 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123420509 1028909891 /nfs/dbraw/zinc/90/98/91/1028909891.db2.gz GELOJBNIZCBFAZ-JTDSTZFVSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](COCC(C)C)c2ccco2)c[nH+]1 ZINC000454427593 1028911203 /nfs/dbraw/zinc/91/12/03/1028911203.db2.gz LWEWLVMIPSVVQU-KRWDZBQOSA-N 1 2 345.443 3.505 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)ccc2[nH+]1 ZINC000524131095 1028912103 /nfs/dbraw/zinc/91/21/03/1028912103.db2.gz DLXGBKSXZXQTFR-RHSMWYFYSA-N 1 2 344.459 3.606 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CSc1nnc(-c2ccncc2)o1 ZINC000445601431 1028963940 /nfs/dbraw/zinc/96/39/40/1028963940.db2.gz RYENREYQFLAZAE-UHFFFAOYSA-N 1 2 349.419 3.669 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)ccc1F ZINC000154090257 1028985433 /nfs/dbraw/zinc/98/54/33/1028985433.db2.gz QKUODMNAIJAINP-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)ccc1F ZINC000154090257 1028985445 /nfs/dbraw/zinc/98/54/45/1028985445.db2.gz QKUODMNAIJAINP-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)n1 ZINC000424304091 1028986840 /nfs/dbraw/zinc/98/68/40/1028986840.db2.gz ANTPZLLZCQLYSP-CYBMUJFWSA-N 1 2 335.860 3.855 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2nccc(OC)n2)cc1 ZINC000424306536 1028988868 /nfs/dbraw/zinc/98/88/68/1028988868.db2.gz ILWXEDFNANDYCV-HNNXBMFYSA-N 1 2 329.444 3.905 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000123680582 1028992988 /nfs/dbraw/zinc/99/29/88/1028992988.db2.gz VLNPWDNAKSOGTK-CZUORRHYSA-N 1 2 329.469 3.547 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698653 1029033065 /nfs/dbraw/zinc/03/30/65/1029033065.db2.gz MZWZOGKEBCKGPN-JXFKEZNVSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698653 1029033077 /nfs/dbraw/zinc/03/30/77/1029033077.db2.gz MZWZOGKEBCKGPN-JXFKEZNVSA-N 1 2 337.467 3.610 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccn2C2CC2)CC2CC2)c(OC)c1 ZINC000894266115 1029033937 /nfs/dbraw/zinc/03/39/37/1029033937.db2.gz JWMZWECIUNXWFR-UHFFFAOYSA-N 1 2 341.455 3.647 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccn2C2CC2)CC2CC2)c(OC)c1 ZINC000894266115 1029033950 /nfs/dbraw/zinc/03/39/50/1029033950.db2.gz JWMZWECIUNXWFR-UHFFFAOYSA-N 1 2 341.455 3.647 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076932663 1029058166 /nfs/dbraw/zinc/05/81/66/1029058166.db2.gz VRQZTASIRHNONA-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569517 1029071156 /nfs/dbraw/zinc/07/11/56/1029071156.db2.gz IMHDMCMHXYPGBA-IUCAKERBSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569517 1029071171 /nfs/dbraw/zinc/07/11/71/1029071171.db2.gz IMHDMCMHXYPGBA-IUCAKERBSA-N 1 2 338.698 3.757 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1F ZINC000123951921 1029081659 /nfs/dbraw/zinc/08/16/59/1029081659.db2.gz YMFHIJBMNXQXKA-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000445793122 1029129902 /nfs/dbraw/zinc/12/99/02/1029129902.db2.gz HEZOGSPJNRQCLP-OAQYLSRUSA-N 1 2 336.435 3.631 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000445793122 1029129916 /nfs/dbraw/zinc/12/99/16/1029129916.db2.gz HEZOGSPJNRQCLP-OAQYLSRUSA-N 1 2 336.435 3.631 20 0 EHADLO CCSCCCc1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000445772824 1029133900 /nfs/dbraw/zinc/13/39/00/1029133900.db2.gz LTRHGSGJSDYEBD-UHFFFAOYSA-N 1 2 328.441 3.667 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000532981572 1029138783 /nfs/dbraw/zinc/13/87/83/1029138783.db2.gz IKWONSJUEIRJDF-HZPDHXFCSA-N 1 2 342.487 3.876 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000532981572 1029138792 /nfs/dbraw/zinc/13/87/92/1029138792.db2.gz IKWONSJUEIRJDF-HZPDHXFCSA-N 1 2 342.487 3.876 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@H](CCO)c3ccccc3)n2)cc1 ZINC000271736967 1029144739 /nfs/dbraw/zinc/14/47/39/1029144739.db2.gz ZSDBLCXPIAKKGU-GOSISDBHSA-N 1 2 337.423 3.512 20 0 EHADLO CCc1cnc(CN(C)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000445809376 1029145226 /nfs/dbraw/zinc/14/52/26/1029145226.db2.gz FGNPFAMVODJBBC-UHFFFAOYSA-N 1 2 326.469 3.582 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000424602038 1029161382 /nfs/dbraw/zinc/16/13/82/1029161382.db2.gz DTGIOOFDHRJNNE-HZPDHXFCSA-N 1 2 327.428 3.727 20 0 EHADLO CCC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1F ZINC000271798444 1029177543 /nfs/dbraw/zinc/17/75/43/1029177543.db2.gz OWOWOSURVIAQNG-INIZCTEOSA-N 1 2 334.414 3.914 20 0 EHADLO CCc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000252257190 1029181000 /nfs/dbraw/zinc/18/10/00/1029181000.db2.gz NDYOURKMGYTYCA-UHFFFAOYSA-N 1 2 335.904 3.677 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c[nH+]1 ZINC000455579284 1029206873 /nfs/dbraw/zinc/20/68/73/1029206873.db2.gz VWZAPKUGLSZXPK-AWEZNQCLSA-N 1 2 343.393 3.818 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000445897027 1029218420 /nfs/dbraw/zinc/21/84/20/1029218420.db2.gz MJCHTMKGNBQYEL-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2nc(Cc3ccccc3)no2)c1 ZINC000272019064 1029275134 /nfs/dbraw/zinc/27/51/34/1029275134.db2.gz HNFYKEILPNDSCP-UHFFFAOYSA-N 1 2 341.436 3.806 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC=CCC2)c(C)c1 ZINC000533077695 1029282196 /nfs/dbraw/zinc/28/21/96/1029282196.db2.gz HZOTZBCRIVIILF-HKUYNNGSSA-N 1 2 338.455 3.649 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC=CCC2)c(C)c1 ZINC000533077697 1029282249 /nfs/dbraw/zinc/28/22/49/1029282249.db2.gz HZOTZBCRIVIILF-MJGOQNOKSA-N 1 2 338.455 3.649 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[C@H](F)C2)c(C)c1 ZINC000424738662 1029309529 /nfs/dbraw/zinc/30/95/29/1029309529.db2.gz PPNBXZWKBPDOKN-LNLFQRSKSA-N 1 2 343.446 3.886 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](CO)c3ccccc3)cs2)o1 ZINC000343123596 1029315150 /nfs/dbraw/zinc/31/51/50/1029315150.db2.gz UVKBNAWAWUIWQL-INIZCTEOSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)c3ccccc3)cs2)o1 ZINC000343123596 1029315162 /nfs/dbraw/zinc/31/51/62/1029315162.db2.gz UVKBNAWAWUIWQL-INIZCTEOSA-N 1 2 328.437 3.877 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533089877 1029316824 /nfs/dbraw/zinc/31/68/24/1029316824.db2.gz KYIYFEUJDSMHSQ-OAHLLOKOSA-N 1 2 339.439 3.796 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000272307743 1029409070 /nfs/dbraw/zinc/40/90/70/1029409070.db2.gz RBMYUQZPRYNDQT-UGSOOPFHSA-N 1 2 346.858 3.552 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016563950 1029416932 /nfs/dbraw/zinc/41/69/32/1029416932.db2.gz LDCPTQNLWUTSRR-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016563950 1029416934 /nfs/dbraw/zinc/41/69/34/1029416934.db2.gz LDCPTQNLWUTSRR-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]1CCC1CCCC1 ZINC000272377148 1029438755 /nfs/dbraw/zinc/43/87/55/1029438755.db2.gz VMJLIEWGYLQHQS-QGZVFWFLSA-N 1 2 338.455 3.842 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000272406190 1029448275 /nfs/dbraw/zinc/44/82/75/1029448275.db2.gz KJTJJZHNSJBJOX-SFHVURJKSA-N 1 2 342.439 3.571 20 0 EHADLO Cc1csc([C@H]([NH2+]Cc2cccc(Br)n2)C2CC2)n1 ZINC000272437523 1029459170 /nfs/dbraw/zinc/45/91/70/1029459170.db2.gz SERIIWMJXSMBEF-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO C[C@H](c1ccccc1)N(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000272459095 1029468903 /nfs/dbraw/zinc/46/89/03/1029468903.db2.gz RMQGTOVKAUYQBL-OAHLLOKOSA-N 1 2 332.407 3.633 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000583265259 1029469286 /nfs/dbraw/zinc/46/92/86/1029469286.db2.gz HXWZCYXNAZOHIZ-QAPCUYQASA-N 1 2 343.446 3.878 20 0 EHADLO Nc1ncc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)s1 ZINC000261723970 1029489009 /nfs/dbraw/zinc/48/90/09/1029489009.db2.gz GHWRBNPAKZCISB-AWEZNQCLSA-N 1 2 341.440 3.503 20 0 EHADLO Nc1ncc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)s1 ZINC000261723970 1029489015 /nfs/dbraw/zinc/48/90/15/1029489015.db2.gz GHWRBNPAKZCISB-AWEZNQCLSA-N 1 2 341.440 3.503 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000533224044 1029490238 /nfs/dbraw/zinc/49/02/38/1029490238.db2.gz QEHZQXSGVOUSMT-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000533224044 1029490244 /nfs/dbraw/zinc/49/02/44/1029490244.db2.gz QEHZQXSGVOUSMT-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1coc(-c2ccccc2)n1 ZINC000152194915 1029525031 /nfs/dbraw/zinc/52/50/31/1029525031.db2.gz YYMJYOPCJOKASY-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Nc1ncc(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)s1 ZINC000261920003 1029530365 /nfs/dbraw/zinc/53/03/65/1029530365.db2.gz BMFUVKVTKMRCHF-ZDUSSCGKSA-N 1 2 325.890 3.669 20 0 EHADLO Nc1ncc(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)s1 ZINC000261920003 1029530367 /nfs/dbraw/zinc/53/03/67/1029530367.db2.gz BMFUVKVTKMRCHF-ZDUSSCGKSA-N 1 2 325.890 3.669 20 0 EHADLO CCOc1c(C[N@H+](C)Cc2cccc(O)c2)c(C)nn1CC(C)C ZINC000533255849 1029536679 /nfs/dbraw/zinc/53/66/79/1029536679.db2.gz WXZADHPJOSKIAQ-UHFFFAOYSA-N 1 2 331.460 3.584 20 0 EHADLO CCOc1c(C[N@@H+](C)Cc2cccc(O)c2)c(C)nn1CC(C)C ZINC000533255849 1029536691 /nfs/dbraw/zinc/53/66/91/1029536691.db2.gz WXZADHPJOSKIAQ-UHFFFAOYSA-N 1 2 331.460 3.584 20 0 EHADLO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000272693357 1029569166 /nfs/dbraw/zinc/56/91/66/1029569166.db2.gz XKLJRKFGHUOBER-UHFFFAOYSA-N 1 2 346.406 3.678 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000615093385 1029572349 /nfs/dbraw/zinc/57/23/49/1029572349.db2.gz PVWAJDVLRLSHDJ-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000615093385 1029572353 /nfs/dbraw/zinc/57/23/53/1029572353.db2.gz PVWAJDVLRLSHDJ-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000459391773 1029607951 /nfs/dbraw/zinc/60/79/51/1029607951.db2.gz VMPIPIXMGXQDBR-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000459391773 1029607958 /nfs/dbraw/zinc/60/79/58/1029607958.db2.gz VMPIPIXMGXQDBR-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC[C@H](CC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000155808180 1029662993 /nfs/dbraw/zinc/66/29/93/1029662993.db2.gz DINMEYZPUPPDNV-QGZVFWFLSA-N 1 2 339.483 3.770 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000525063966 1029665216 /nfs/dbraw/zinc/66/52/16/1029665216.db2.gz NZGGMBZGUCOAKO-HNNXBMFYSA-N 1 2 345.874 3.844 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(F)c(C)c1 ZINC000126335415 1029705169 /nfs/dbraw/zinc/70/51/69/1029705169.db2.gz XIXGDGYCRQVLFH-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000583377677 1029742343 /nfs/dbraw/zinc/74/23/43/1029742343.db2.gz YXEVUWJDDZMZJZ-CHWSQXEVSA-N 1 2 337.370 3.685 20 0 EHADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000583377677 1029742347 /nfs/dbraw/zinc/74/23/47/1029742347.db2.gz YXEVUWJDDZMZJZ-CHWSQXEVSA-N 1 2 337.370 3.685 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccco1 ZINC000080240204 1029748242 /nfs/dbraw/zinc/74/82/42/1029748242.db2.gz IZBUBNHSZWMPGL-AWEZNQCLSA-N 1 2 337.803 3.572 20 0 EHADLO C[C@@H]1C[NH+](Cc2cc3c(c(Br)c2)OCO3)C[C@@H](C)S1 ZINC000525274358 1029784566 /nfs/dbraw/zinc/78/45/66/1029784566.db2.gz WUGVQYJROJZXFR-NXEZZACHSA-N 1 2 344.274 3.504 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475644082 1029796799 /nfs/dbraw/zinc/79/67/99/1029796799.db2.gz YRKHEZKPQLBGEB-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475644082 1029796803 /nfs/dbraw/zinc/79/68/03/1029796803.db2.gz YRKHEZKPQLBGEB-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000156337401 1029806001 /nfs/dbraw/zinc/80/60/01/1029806001.db2.gz VKEJGLPVGKRFBB-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000156337401 1029806007 /nfs/dbraw/zinc/80/60/07/1029806007.db2.gz VKEJGLPVGKRFBB-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035898 1029859974 /nfs/dbraw/zinc/85/99/74/1029859974.db2.gz PGZJEKQJUSXNBC-KGLIPLIRSA-N 1 2 340.389 3.755 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536035898 1029859983 /nfs/dbraw/zinc/85/99/83/1029859983.db2.gz PGZJEKQJUSXNBC-KGLIPLIRSA-N 1 2 340.389 3.755 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127304090 1029863045 /nfs/dbraw/zinc/86/30/45/1029863045.db2.gz HMZOVLFQFLFSFK-UKRRQHHQSA-N 1 2 330.457 3.720 20 0 EHADLO O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162726406 1029863220 /nfs/dbraw/zinc/86/32/20/1029863220.db2.gz AKKJCNWIPJHGJI-UHFFFAOYSA-N 1 2 343.333 3.859 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000533810609 1029869452 /nfs/dbraw/zinc/86/94/52/1029869452.db2.gz CBWQTXGLTFEMHE-MRXNPFEDSA-N 1 2 334.529 3.999 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039695 1029872590 /nfs/dbraw/zinc/87/25/90/1029872590.db2.gz MGMWSPBATNKRFM-CXTNEJHOSA-N 1 2 332.410 3.510 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039695 1029872595 /nfs/dbraw/zinc/87/25/95/1029872595.db2.gz MGMWSPBATNKRFM-CXTNEJHOSA-N 1 2 332.410 3.510 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453189708 1029890561 /nfs/dbraw/zinc/89/05/61/1029890561.db2.gz BMTJVBGVKZYKGC-RYUDHWBXSA-N 1 2 327.457 3.659 20 0 EHADLO Clc1cccc2c1cc1n2CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000447062440 1029900099 /nfs/dbraw/zinc/90/00/99/1029900099.db2.gz ACNJGYKRDFLNGP-UHFFFAOYSA-N 1 2 336.826 3.958 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000120039091 1029914674 /nfs/dbraw/zinc/91/46/74/1029914674.db2.gz PWFNZLKQQBQVLT-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000120039091 1029914688 /nfs/dbraw/zinc/91/46/88/1029914688.db2.gz PWFNZLKQQBQVLT-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000346479361 1029917489 /nfs/dbraw/zinc/91/74/89/1029917489.db2.gz JIZDAMHBHXNNIM-FQEVSTJZSA-N 1 2 334.419 3.861 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000583507566 1029980120 /nfs/dbraw/zinc/98/01/20/1029980120.db2.gz BSXGAVSWYKQRNW-UHFFFAOYSA-N 1 2 337.423 3.843 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000583507566 1029980134 /nfs/dbraw/zinc/98/01/34/1029980134.db2.gz BSXGAVSWYKQRNW-UHFFFAOYSA-N 1 2 337.423 3.843 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCCc3occc32)sc1Br ZINC000453258735 1029990996 /nfs/dbraw/zinc/99/09/96/1029990996.db2.gz BIUMEBRCCWKIEB-SNVBAGLBSA-N 1 2 327.247 3.974 20 0 EHADLO CC(C)(C)c1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000120301818 1029994569 /nfs/dbraw/zinc/99/45/69/1029994569.db2.gz RKSVBMQMSJXRRZ-UHFFFAOYSA-N 1 2 337.467 3.778 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(Cl)s2)o1 ZINC000531904516 1030014222 /nfs/dbraw/zinc/01/42/22/1030014222.db2.gz KSKCXUKEZHHMHY-CYBMUJFWSA-N 1 2 338.860 3.756 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(Cl)s2)o1 ZINC000531904516 1030014239 /nfs/dbraw/zinc/01/42/39/1030014239.db2.gz KSKCXUKEZHHMHY-CYBMUJFWSA-N 1 2 338.860 3.756 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000453314755 1030088043 /nfs/dbraw/zinc/08/80/43/1030088043.db2.gz GJDGIPNIJZLZDL-VIFPVBQESA-N 1 2 333.741 3.823 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000343287861 1030096621 /nfs/dbraw/zinc/09/66/21/1030096621.db2.gz SZOMQSBKKUANLZ-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2CC)s1 ZINC000525787785 1030105199 /nfs/dbraw/zinc/10/51/99/1030105199.db2.gz KWYRTOIKMWUSFN-INIZCTEOSA-N 1 2 348.537 3.998 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2CC)s1 ZINC000525787785 1030105212 /nfs/dbraw/zinc/10/52/12/1030105212.db2.gz KWYRTOIKMWUSFN-INIZCTEOSA-N 1 2 348.537 3.998 20 0 EHADLO CC(C)c1nc2ccccc2c(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000447330085 1030115324 /nfs/dbraw/zinc/11/53/24/1030115324.db2.gz NUXYSXWRUZRJRZ-CQSZACIVSA-N 1 2 331.485 3.566 20 0 EHADLO CC(C)c1nc2ccccc2c(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000447330085 1030115333 /nfs/dbraw/zinc/11/53/33/1030115333.db2.gz NUXYSXWRUZRJRZ-CQSZACIVSA-N 1 2 331.485 3.566 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000481918074 1030119220 /nfs/dbraw/zinc/11/92/20/1030119220.db2.gz BODFJRRMUDBHLF-OAHLLOKOSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000481918074 1030119230 /nfs/dbraw/zinc/11/92/30/1030119230.db2.gz BODFJRRMUDBHLF-OAHLLOKOSA-N 1 2 329.893 3.754 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000171375858 1030124744 /nfs/dbraw/zinc/12/47/44/1030124744.db2.gz FWNSKNLBPRSTKP-GFCCVEGCSA-N 1 2 327.350 3.647 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000171375858 1030124754 /nfs/dbraw/zinc/12/47/54/1030124754.db2.gz FWNSKNLBPRSTKP-GFCCVEGCSA-N 1 2 327.350 3.647 20 0 EHADLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(C)cc2Cl)c1 ZINC000447346964 1030127511 /nfs/dbraw/zinc/12/75/11/1030127511.db2.gz ADWNDUYAJKIANU-UHFFFAOYSA-N 1 2 349.858 3.660 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(C)cc2Cl)c1 ZINC000447346964 1030127518 /nfs/dbraw/zinc/12/75/18/1030127518.db2.gz ADWNDUYAJKIANU-UHFFFAOYSA-N 1 2 349.858 3.660 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CCCCC1 ZINC000174893621 1030135786 /nfs/dbraw/zinc/13/57/86/1030135786.db2.gz ZPWRORJIQWWRBE-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900142071 1030140711 /nfs/dbraw/zinc/14/07/11/1030140711.db2.gz SDXYPKPQAAYFSC-APWZRJJASA-N 1 2 340.471 3.646 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(C)cc2C)c1C ZINC000058958005 1030141942 /nfs/dbraw/zinc/14/19/42/1030141942.db2.gz HEMORZQFRNSLMA-UHFFFAOYSA-N 1 2 340.467 3.915 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2CCC23CCC3)cc1OC ZINC000537633390 1030148438 /nfs/dbraw/zinc/14/84/38/1030148438.db2.gz FGQKUDTWTBLDKV-UHFFFAOYSA-N 1 2 340.261 3.985 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2CCC23CCC3)cc1OC ZINC000537633390 1030148458 /nfs/dbraw/zinc/14/84/58/1030148458.db2.gz FGQKUDTWTBLDKV-UHFFFAOYSA-N 1 2 340.261 3.985 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)NCC1CCC1 ZINC000447379856 1030148881 /nfs/dbraw/zinc/14/88/81/1030148881.db2.gz CRGFMYGHYPAYJR-UHFFFAOYSA-N 1 2 341.282 3.879 20 0 EHADLO COc1cc[nH+]c(CN2CCn3c(cc4ccc(Cl)cc43)C2)c1 ZINC000447381756 1030150058 /nfs/dbraw/zinc/15/00/58/1030150058.db2.gz HPAFAFOVFGMGPI-UHFFFAOYSA-N 1 2 327.815 3.714 20 0 EHADLO CC(C)(C)[C@H](NCc1c[nH+]cn1Cc1ccccc1)C(F)(F)F ZINC000525833129 1030156508 /nfs/dbraw/zinc/15/65/08/1030156508.db2.gz VRKIYSJXQYEQBL-HNNXBMFYSA-N 1 2 325.378 3.998 20 0 EHADLO CCn1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)nc2ccccc21 ZINC000525842638 1030169592 /nfs/dbraw/zinc/16/95/92/1030169592.db2.gz NPFAQFPUNMIRQH-OAHLLOKOSA-N 1 2 325.387 3.809 20 0 EHADLO Fc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000121061471 1030173228 /nfs/dbraw/zinc/17/32/28/1030173228.db2.gz LYUKKCMPKRGZCU-UHFFFAOYSA-N 1 2 335.426 3.823 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(OC(F)F)cc1 ZINC000531969314 1030175626 /nfs/dbraw/zinc/17/56/26/1030175626.db2.gz AEOQWZJZZSXUIU-MRVPVSSYSA-N 1 2 346.175 3.624 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121099792 1030179953 /nfs/dbraw/zinc/17/99/53/1030179953.db2.gz JKBAJYMFUQPEOF-GXTWGEPZSA-N 1 2 325.522 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121099792 1030179962 /nfs/dbraw/zinc/17/99/62/1030179962.db2.gz JKBAJYMFUQPEOF-GXTWGEPZSA-N 1 2 325.522 3.728 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 ZINC000367379432 1030184017 /nfs/dbraw/zinc/18/40/17/1030184017.db2.gz JEQYIYGDKPXRES-NSHDSACASA-N 1 2 344.267 3.807 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 ZINC000367379432 1030184026 /nfs/dbraw/zinc/18/40/26/1030184026.db2.gz JEQYIYGDKPXRES-NSHDSACASA-N 1 2 344.267 3.807 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C[C@@H]1n1cc[nH+]c1 ZINC000128481205 1030191195 /nfs/dbraw/zinc/19/11/95/1030191195.db2.gz FDNLXHFNPGUDJK-KBPBESRZSA-N 1 2 331.485 3.965 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cc(F)ccc1F ZINC000453374155 1030195952 /nfs/dbraw/zinc/19/59/52/1030195952.db2.gz VQYJUNILUDEKDD-KRWDZBQOSA-N 1 2 343.381 3.632 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CCOCC1CCCC1)c1ccc(Cl)cc1 ZINC000453401245 1030209181 /nfs/dbraw/zinc/20/91/81/1030209181.db2.gz OYVDCFLYWJLTIO-GOSISDBHSA-N 1 2 347.890 3.959 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000157091261 1030259381 /nfs/dbraw/zinc/25/93/81/1030259381.db2.gz IYFPRLMOYXRSMQ-IBGZPJMESA-N 1 2 334.423 3.945 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000157091261 1030259397 /nfs/dbraw/zinc/25/93/97/1030259397.db2.gz IYFPRLMOYXRSMQ-IBGZPJMESA-N 1 2 334.423 3.945 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701992 1030286720 /nfs/dbraw/zinc/28/67/20/1030286720.db2.gz IUIGDJOWKAKPRA-FXAWDEMLSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701992 1030286734 /nfs/dbraw/zinc/28/67/34/1030286734.db2.gz IUIGDJOWKAKPRA-FXAWDEMLSA-N 1 2 339.483 3.978 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091704398 1030291545 /nfs/dbraw/zinc/29/15/45/1030291545.db2.gz SMGPRVNHRNSEGL-GOSISDBHSA-N 1 2 339.483 3.822 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091704398 1030291558 /nfs/dbraw/zinc/29/15/58/1030291558.db2.gz SMGPRVNHRNSEGL-GOSISDBHSA-N 1 2 339.483 3.822 20 0 EHADLO CC(C)c1ccc(C2(CNC(=O)Cc3c[nH+]cn3C)CCCC2)cc1 ZINC000548802847 1030306443 /nfs/dbraw/zinc/30/64/43/1030306443.db2.gz FFDPNTLLJDNYQN-UHFFFAOYSA-N 1 2 339.483 3.714 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(Br)cn2)c(C)s1 ZINC000866568719 1030370987 /nfs/dbraw/zinc/37/09/87/1030370987.db2.gz BSAIGFMGEZMOJC-QMMMGPOBSA-N 1 2 326.263 3.768 20 0 EHADLO CCc1cccc2cc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)oc21 ZINC000668033095 1030388477 /nfs/dbraw/zinc/38/84/77/1030388477.db2.gz SRKQHDJKJRESJM-ROUUACIJSA-N 1 2 327.424 3.565 20 0 EHADLO CCc1cccc2cc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)oc21 ZINC000668033095 1030388489 /nfs/dbraw/zinc/38/84/89/1030388489.db2.gz SRKQHDJKJRESJM-ROUUACIJSA-N 1 2 327.424 3.565 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc4c(c3)CCCCC4=O)ccc2[nH+]1 ZINC000583664084 1030403014 /nfs/dbraw/zinc/40/30/14/1030403014.db2.gz JOWLMDSKYOIOGU-UHFFFAOYSA-N 1 2 333.391 3.804 20 0 EHADLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1Cl ZINC000526083507 1030406479 /nfs/dbraw/zinc/40/64/79/1030406479.db2.gz LVELCPAQWQNUKN-UHFFFAOYSA-N 1 2 348.849 3.948 20 0 EHADLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1Cl ZINC000526083507 1030406480 /nfs/dbraw/zinc/40/64/80/1030406480.db2.gz LVELCPAQWQNUKN-UHFFFAOYSA-N 1 2 348.849 3.948 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000447679663 1030412948 /nfs/dbraw/zinc/41/29/48/1030412948.db2.gz OJJKSOSGDPPPKY-NSISKUIASA-N 1 2 338.451 3.891 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncccc1C(F)(F)F ZINC000092369496 1030437010 /nfs/dbraw/zinc/43/70/10/1030437010.db2.gz LRVSOHTZWOPTNQ-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000092436266 1030453306 /nfs/dbraw/zinc/45/33/06/1030453306.db2.gz USSITJPKUYOQFF-CQSZACIVSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000092436266 1030453318 /nfs/dbraw/zinc/45/33/18/1030453318.db2.gz USSITJPKUYOQFF-CQSZACIVSA-N 1 2 340.345 3.875 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnc(C(F)(F)F)s1)C2 ZINC000447737700 1030460829 /nfs/dbraw/zinc/46/08/29/1030460829.db2.gz DBEIGIJEKSTJKO-UHFFFAOYSA-N 1 2 344.406 3.577 20 0 EHADLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583697014 1030477593 /nfs/dbraw/zinc/47/75/93/1030477593.db2.gz QGRAUTHDJDBWBM-HNNXBMFYSA-N 1 2 337.427 3.917 20 0 EHADLO C[C@@H](CC(=O)NCCCc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000583696962 1030478527 /nfs/dbraw/zinc/47/85/27/1030478527.db2.gz NWJKKJJBXNHNDU-ZDUSSCGKSA-N 1 2 339.361 3.602 20 0 EHADLO Cc1[nH]c2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2c1C ZINC000343359172 1030481754 /nfs/dbraw/zinc/48/17/54/1030481754.db2.gz JPMRVRHLSFEHDZ-UHFFFAOYSA-N 1 2 345.406 3.677 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343363953 1030508237 /nfs/dbraw/zinc/50/82/37/1030508237.db2.gz XKUMTHYPFPZBBT-UHFFFAOYSA-N 1 2 346.390 3.942 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829381 1030518645 /nfs/dbraw/zinc/51/86/45/1030518645.db2.gz SJJZNIBEMWYGGK-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829381 1030518652 /nfs/dbraw/zinc/51/86/52/1030518652.db2.gz SJJZNIBEMWYGGK-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)c[nH+]1 ZINC000668072964 1030535927 /nfs/dbraw/zinc/53/59/27/1030535927.db2.gz PUBHEFNFVKBAKI-INIZCTEOSA-N 1 2 347.365 3.807 20 0 EHADLO Cc1ncsc1C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000093078491 1030552999 /nfs/dbraw/zinc/55/29/99/1030552999.db2.gz VLTAQTWKSKTLIH-ZDUSSCGKSA-N 1 2 337.439 3.609 20 0 EHADLO CCOc1ccccc1C[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000122238036 1030555142 /nfs/dbraw/zinc/55/51/42/1030555142.db2.gz JFWJIHXLMMDPFE-HXUWFJFHSA-N 1 2 340.467 3.785 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000668081873 1030569955 /nfs/dbraw/zinc/56/99/55/1030569955.db2.gz CDZICQZPBVIMDW-UHFFFAOYSA-N 1 2 341.352 3.900 20 0 EHADLO COc1ccc(CN(C)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000060529166 1030571281 /nfs/dbraw/zinc/57/12/81/1030571281.db2.gz XFRDWHPHAXVTOX-KPKJPENVSA-N 1 2 347.418 3.553 20 0 EHADLO COc1cccc([C@@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000193662958 1030598578 /nfs/dbraw/zinc/59/85/78/1030598578.db2.gz OPRZNMFLAUMMHD-CYBMUJFWSA-N 1 2 339.370 3.762 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000193675208 1030598643 /nfs/dbraw/zinc/59/86/43/1030598643.db2.gz DCPNWZDKFXJRGQ-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000193675208 1030598658 /nfs/dbraw/zinc/59/86/58/1030598658.db2.gz DCPNWZDKFXJRGQ-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO C[N@H+](C/C=C/c1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000527049063 1030603745 /nfs/dbraw/zinc/60/37/45/1030603745.db2.gz FELGREKEKJXHJP-ONEGZZNKSA-N 1 2 349.883 3.889 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000527049063 1030603753 /nfs/dbraw/zinc/60/37/53/1030603753.db2.gz FELGREKEKJXHJP-ONEGZZNKSA-N 1 2 349.883 3.889 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660483 1030650616 /nfs/dbraw/zinc/65/06/16/1030650616.db2.gz AVPXMFDTQHWDIE-UHFFFAOYSA-N 1 2 342.487 3.785 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660483 1030650624 /nfs/dbraw/zinc/65/06/24/1030650624.db2.gz AVPXMFDTQHWDIE-UHFFFAOYSA-N 1 2 342.487 3.785 20 0 EHADLO OC[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(F)cc1F ZINC000657791488 1030655344 /nfs/dbraw/zinc/65/53/44/1030655344.db2.gz CRZVAYFJSDBEMD-MRXNPFEDSA-N 1 2 338.423 3.902 20 0 EHADLO CCCc1csc(C[NH2+][C@H](c2nccn2CC)C2CCOCC2)n1 ZINC000343390387 1030655627 /nfs/dbraw/zinc/65/56/27/1030655627.db2.gz CSMKFBQOYGBILI-KRWDZBQOSA-N 1 2 348.516 3.570 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000668109046 1030667291 /nfs/dbraw/zinc/66/72/91/1030667291.db2.gz SQTKRFSRXQJLIH-HNNXBMFYSA-N 1 2 346.496 3.546 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000668109046 1030667309 /nfs/dbraw/zinc/66/73/09/1030667309.db2.gz SQTKRFSRXQJLIH-HNNXBMFYSA-N 1 2 346.496 3.546 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1F ZINC000170764929 1030700834 /nfs/dbraw/zinc/70/08/34/1030700834.db2.gz SCVCGSQQDADPTO-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000482811928 1030725720 /nfs/dbraw/zinc/72/57/20/1030725720.db2.gz VZKGJVIJSDPCKI-OCCSQVGLSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000482811928 1030725735 /nfs/dbraw/zinc/72/57/35/1030725735.db2.gz VZKGJVIJSDPCKI-OCCSQVGLSA-N 1 2 337.769 3.626 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)c1nccn1C ZINC000657794836 1030769009 /nfs/dbraw/zinc/76/90/09/1030769009.db2.gz XKGIGXVAGAFYEC-HUUCEWRRSA-N 1 2 332.467 3.892 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194262150 1030808201 /nfs/dbraw/zinc/80/82/01/1030808201.db2.gz PYLYNNVSJRHFFH-UHFFFAOYSA-N 1 2 336.439 3.940 20 0 EHADLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(C2CC2)n1 ZINC000892359720 1030824770 /nfs/dbraw/zinc/82/47/70/1030824770.db2.gz UAMDQVOSYSJOAB-UHFFFAOYSA-N 1 2 327.819 3.749 20 0 EHADLO CC[C@@H](C)CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033106 1030847378 /nfs/dbraw/zinc/84/73/78/1030847378.db2.gz KYYQMSJDZGHOFM-OAHLLOKOSA-N 1 2 330.432 3.520 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3cccc(F)c3)CC2)c1C ZINC000172206995 1030871923 /nfs/dbraw/zinc/87/19/23/1030871923.db2.gz DHIMZYTVZHZYCP-UHFFFAOYSA-N 1 2 342.414 3.536 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2=O)cs1 ZINC000115600094 1030885433 /nfs/dbraw/zinc/88/54/33/1030885433.db2.gz XOKDDCLKRDITEX-DOMZBBRYSA-N 1 2 347.459 3.691 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000115778976 1030916912 /nfs/dbraw/zinc/91/69/12/1030916912.db2.gz SQCABHSSHRUWLZ-MRXNPFEDSA-N 1 2 334.851 3.623 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000568184971 1030954904 /nfs/dbraw/zinc/95/49/04/1030954904.db2.gz OWDNYSXSEQJNCB-KRWDZBQOSA-N 1 2 347.462 3.927 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000568184971 1030954916 /nfs/dbraw/zinc/95/49/16/1030954916.db2.gz OWDNYSXSEQJNCB-KRWDZBQOSA-N 1 2 347.462 3.927 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000448363394 1030990397 /nfs/dbraw/zinc/99/03/97/1030990397.db2.gz BWRAUPOGRLMKFE-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000448363394 1030990405 /nfs/dbraw/zinc/99/04/05/1030990405.db2.gz BWRAUPOGRLMKFE-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000527538606 1030997185 /nfs/dbraw/zinc/99/71/85/1030997185.db2.gz MCIBYMHYMDDVSH-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000527538606 1030997196 /nfs/dbraw/zinc/99/71/96/1030997196.db2.gz MCIBYMHYMDDVSH-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000172799021 1031000854 /nfs/dbraw/zinc/00/08/54/1031000854.db2.gz PDTZHPITYAVCSU-OAHLLOKOSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000172799021 1031000871 /nfs/dbraw/zinc/00/08/71/1031000871.db2.gz PDTZHPITYAVCSU-OAHLLOKOSA-N 1 2 349.887 3.732 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483168575 1031018605 /nfs/dbraw/zinc/01/86/05/1031018605.db2.gz MPRYTJVCLKVKPD-UHFFFAOYSA-N 1 2 336.382 3.571 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483168575 1031018614 /nfs/dbraw/zinc/01/86/14/1031018614.db2.gz MPRYTJVCLKVKPD-UHFFFAOYSA-N 1 2 336.382 3.571 20 0 EHADLO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1nnc2ccccn21 ZINC000527634117 1031061727 /nfs/dbraw/zinc/06/17/27/1031061727.db2.gz KYDDTBOXUJUNRC-VIFPVBQESA-N 1 2 326.347 3.660 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000760538639 1031109497 /nfs/dbraw/zinc/10/94/97/1031109497.db2.gz MXEHNWKMAHNOKP-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000760538639 1031109503 /nfs/dbraw/zinc/10/95/03/1031109503.db2.gz MXEHNWKMAHNOKP-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO Cc1nnc([C@@H]2C[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000247549025 1031118197 /nfs/dbraw/zinc/11/81/97/1031118197.db2.gz PSRKXXDKIRQMJQ-DYVFJYSZSA-N 1 2 328.460 3.545 20 0 EHADLO Cc1nnc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000247549025 1031118204 /nfs/dbraw/zinc/11/82/04/1031118204.db2.gz PSRKXXDKIRQMJQ-DYVFJYSZSA-N 1 2 328.460 3.545 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483377977 1031136576 /nfs/dbraw/zinc/13/65/76/1031136576.db2.gz DQWWKTOYTBRBDK-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483377977 1031136579 /nfs/dbraw/zinc/13/65/79/1031136579.db2.gz DQWWKTOYTBRBDK-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000668243699 1031151395 /nfs/dbraw/zinc/15/13/95/1031151395.db2.gz HFDZQBNUUGPXQS-SECBINFHSA-N 1 2 329.288 3.603 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000668243699 1031151401 /nfs/dbraw/zinc/15/14/01/1031151401.db2.gz HFDZQBNUUGPXQS-SECBINFHSA-N 1 2 329.288 3.603 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1 ZINC000173991526 1031191449 /nfs/dbraw/zinc/19/14/49/1031191449.db2.gz HSESIDSUIWSFDY-HOTGVXAUSA-N 1 2 349.434 3.697 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001168152373 1031227491 /nfs/dbraw/zinc/22/74/91/1031227491.db2.gz RDOWFDTVODPHIK-GJZGRUSLSA-N 1 2 331.843 3.993 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000314991541 1031247021 /nfs/dbraw/zinc/24/70/21/1031247021.db2.gz RUYWOGJRYUTUFZ-IUCAKERBSA-N 1 2 326.368 3.620 20 0 EHADLO Cc1ccccc1C1([NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000647316612 1031249899 /nfs/dbraw/zinc/24/98/99/1031249899.db2.gz YLIZZIGGFRKZNR-QGZVFWFLSA-N 1 2 345.439 3.632 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cn(C(C)C)nc2C)C2CC2)c1 ZINC000343529018 1031259563 /nfs/dbraw/zinc/25/95/63/1031259563.db2.gz CZSPWPZATZUDGD-UHFFFAOYSA-N 1 2 343.471 3.954 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cn(C(C)C)nc2C)C2CC2)c1 ZINC000343529018 1031259574 /nfs/dbraw/zinc/25/95/74/1031259574.db2.gz CZSPWPZATZUDGD-UHFFFAOYSA-N 1 2 343.471 3.954 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)cc(F)c1Br ZINC000666067511 1031266010 /nfs/dbraw/zinc/26/60/10/1031266010.db2.gz HQEHITJMOMADPQ-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)[nH]1 ZINC000583980682 1031297528 /nfs/dbraw/zinc/29/75/28/1031297528.db2.gz UYMXKTAPBHEORA-GFCCVEGCSA-N 1 2 325.416 3.503 20 0 EHADLO CC[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448602114 1031305516 /nfs/dbraw/zinc/30/55/16/1031305516.db2.gz ANNGGAOKZJMGFC-HUUCEWRRSA-N 1 2 341.480 3.686 20 0 EHADLO CC[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448602114 1031305529 /nfs/dbraw/zinc/30/55/29/1031305529.db2.gz ANNGGAOKZJMGFC-HUUCEWRRSA-N 1 2 341.480 3.686 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)nc1 ZINC000527853576 1031326942 /nfs/dbraw/zinc/32/69/42/1031326942.db2.gz PVYCTDHMVRENNM-QGZVFWFLSA-N 1 2 346.434 3.793 20 0 EHADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000903336931 1031342400 /nfs/dbraw/zinc/34/24/00/1031342400.db2.gz SCZMRDYJTVQVPQ-QMMMGPOBSA-N 1 2 332.206 3.725 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868810 1031349235 /nfs/dbraw/zinc/34/92/35/1031349235.db2.gz MSBLPPHCZYPJHE-IFXJQAMLSA-N 1 2 339.414 3.610 20 0 EHADLO Cc1ccccc1-c1nsc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000527871324 1031357750 /nfs/dbraw/zinc/35/77/50/1031357750.db2.gz SMHBBGVXNIVGSR-UHFFFAOYSA-N 1 2 325.441 3.552 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930560 1031370910 /nfs/dbraw/zinc/37/09/10/1031370910.db2.gz MHDYVTMYOKABFR-ZDUSSCGKSA-N 1 2 340.254 3.770 20 0 EHADLO Cn1ccnc1C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930560 1031370925 /nfs/dbraw/zinc/37/09/25/1031370925.db2.gz MHDYVTMYOKABFR-ZDUSSCGKSA-N 1 2 340.254 3.770 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527894050 1031388781 /nfs/dbraw/zinc/38/87/81/1031388781.db2.gz PFJKYABPJXQXHG-HUUCEWRRSA-N 1 2 336.439 3.903 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1F ZINC000668283251 1031391551 /nfs/dbraw/zinc/39/15/51/1031391551.db2.gz LYIRVEDFCPGBEN-MGPLVRAMSA-N 1 2 343.320 3.778 20 0 EHADLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000176071927 1031411131 /nfs/dbraw/zinc/41/11/31/1031411131.db2.gz CZJBPEKBQMCPMY-HNNXBMFYSA-N 1 2 349.434 3.717 20 0 EHADLO COC(=O)C1(NCc2ccc(-n3cc[nH+]c3)cc2C)CCCCCC1 ZINC000484109412 1031462215 /nfs/dbraw/zinc/46/22/15/1031462215.db2.gz YPJBXQJWEGSEOP-UHFFFAOYSA-N 1 2 341.455 3.536 20 0 EHADLO c1ccn2c(c1)nnc2C[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527972410 1031504749 /nfs/dbraw/zinc/50/47/49/1031504749.db2.gz XDDJRDGVWGIHJR-MRXNPFEDSA-N 1 2 343.434 3.737 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000343590438 1031522495 /nfs/dbraw/zinc/52/24/95/1031522495.db2.gz PYVYBKUMBIQZCS-LJQANCHMSA-N 1 2 344.405 3.807 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000343590438 1031522504 /nfs/dbraw/zinc/52/25/04/1031522504.db2.gz PYVYBKUMBIQZCS-LJQANCHMSA-N 1 2 344.405 3.807 20 0 EHADLO c1ccc2c(c1)cc[nH+]c2N1CCC(c2nnc3n2CCCC3)CC1 ZINC000527963092 1031532673 /nfs/dbraw/zinc/53/26/73/1031532673.db2.gz COBACAGYNOUMFE-UHFFFAOYSA-N 1 2 333.439 3.547 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(OCC3CCCC3)CC2)n1 ZINC000177486255 1031545046 /nfs/dbraw/zinc/54/50/46/1031545046.db2.gz YMLPMDHIJHJVKY-UHFFFAOYSA-N 1 2 335.492 3.829 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)NCc1ccn2cc[nH+]c2c1 ZINC000177597238 1031577824 /nfs/dbraw/zinc/57/78/24/1031577824.db2.gz NEGZPYPFAHESKQ-UHFFFAOYSA-N 1 2 344.418 3.529 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1C ZINC000551708470 1031584442 /nfs/dbraw/zinc/58/44/42/1031584442.db2.gz UJHIOFOVLFZBIY-UHFFFAOYSA-N 1 2 328.378 3.906 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448746810 1031589666 /nfs/dbraw/zinc/58/96/66/1031589666.db2.gz CUDBUECKQCVBBL-JTQLQIEISA-N 1 2 329.297 3.929 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177935043 1031596019 /nfs/dbraw/zinc/59/60/19/1031596019.db2.gz TUUXZSXWCKNPEP-CQSZACIVSA-N 1 2 348.406 3.949 20 0 EHADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000343607177 1031603040 /nfs/dbraw/zinc/60/30/40/1031603040.db2.gz JUVDEGSTVIWGLI-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c(F)c1Cl ZINC000278603267 1031609696 /nfs/dbraw/zinc/60/96/96/1031609696.db2.gz DBPAKKBYKUEVIF-LBPRGKRZSA-N 1 2 339.798 3.619 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c(F)c1Cl ZINC000278603267 1031609709 /nfs/dbraw/zinc/60/97/09/1031609709.db2.gz DBPAKKBYKUEVIF-LBPRGKRZSA-N 1 2 339.798 3.619 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347460128 1031637341 /nfs/dbraw/zinc/63/73/41/1031637341.db2.gz FCUBAEFHMZHIOP-MLHJIOFPSA-N 1 2 347.503 3.500 20 0 EHADLO Clc1ccc2nc([C@@H]3CCC[N@@H+]3CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000329663977 1031672840 /nfs/dbraw/zinc/67/28/40/1031672840.db2.gz JRMYIIALPHWLQV-DLBZAZTESA-N 1 2 349.862 3.896 20 0 EHADLO Clc1ccc2nc([C@@H]3CCC[N@H+]3CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000329663977 1031672846 /nfs/dbraw/zinc/67/28/46/1031672846.db2.gz JRMYIIALPHWLQV-DLBZAZTESA-N 1 2 349.862 3.896 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178501570 1031672928 /nfs/dbraw/zinc/67/29/28/1031672928.db2.gz KQEWJXVVQOCCEE-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178501570 1031672942 /nfs/dbraw/zinc/67/29/42/1031672942.db2.gz KQEWJXVVQOCCEE-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000178352211 1031685424 /nfs/dbraw/zinc/68/54/24/1031685424.db2.gz LTRGYQZCVZTLIJ-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178350619 1031686397 /nfs/dbraw/zinc/68/63/97/1031686397.db2.gz AKHJILNIKNEBDN-UHFFFAOYSA-N 1 2 342.402 3.635 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178349280 1031686765 /nfs/dbraw/zinc/68/67/65/1031686765.db2.gz UZAQEPCZHKKKIU-CYBMUJFWSA-N 1 2 343.427 3.518 20 0 EHADLO Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178369931 1031689938 /nfs/dbraw/zinc/68/99/38/1031689938.db2.gz HCNTXVLXLYVPCG-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO CC(C)C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178406122 1031696815 /nfs/dbraw/zinc/69/68/15/1031696815.db2.gz ZNHUQOZBJGYVHU-SFHVURJKSA-N 1 2 336.439 3.921 20 0 EHADLO O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178804272 1031706249 /nfs/dbraw/zinc/70/62/49/1031706249.db2.gz UVQRPPPYJDKUKR-GFCCVEGCSA-N 1 2 338.436 3.571 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncnc3cc(Cl)ccc32)c1C ZINC000477622783 1031730188 /nfs/dbraw/zinc/73/01/88/1031730188.db2.gz OXLIDMJUIPTVQW-UHFFFAOYSA-N 1 2 342.830 3.940 20 0 EHADLO CN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117573649 1031756302 /nfs/dbraw/zinc/75/63/02/1031756302.db2.gz UEPVIEXIAPFGRV-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO COc1cccc(C2(F)CC[NH+](Cc3ccn(C(F)F)n3)CC2)c1 ZINC000343646372 1031762543 /nfs/dbraw/zinc/76/25/43/1031762543.db2.gz ZCYABBSWTDTIHA-UHFFFAOYSA-N 1 2 339.361 3.748 20 0 EHADLO O=C(Nc1cccc(OC(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117610948 1031779277 /nfs/dbraw/zinc/77/92/77/1031779277.db2.gz AQGPIPCWQWHQQL-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCC=C2 ZINC000477696867 1031784367 /nfs/dbraw/zinc/78/43/67/1031784367.db2.gz WCYMXCZSRAVIQY-UHFFFAOYSA-N 1 2 348.446 3.731 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(OC(C)C)CC1 ZINC000551969245 1031796746 /nfs/dbraw/zinc/79/67/46/1031796746.db2.gz NUIMZBKHZNDYSI-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000179867458 1031815567 /nfs/dbraw/zinc/81/55/67/1031815567.db2.gz SGIZPYQSXPAPKQ-HNNXBMFYSA-N 1 2 345.414 3.634 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000179867458 1031815586 /nfs/dbraw/zinc/81/55/86/1031815586.db2.gz SGIZPYQSXPAPKQ-HNNXBMFYSA-N 1 2 345.414 3.634 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)cc1C ZINC000343661067 1031826784 /nfs/dbraw/zinc/82/67/84/1031826784.db2.gz VCWFMAYXQMAJQQ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)cc1C ZINC000343661067 1031826799 /nfs/dbraw/zinc/82/67/99/1031826799.db2.gz VCWFMAYXQMAJQQ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000052845749 1031845180 /nfs/dbraw/zinc/84/51/80/1031845180.db2.gz IZJUOTYQPFBIMN-IBGZPJMESA-N 1 2 338.838 3.901 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000052845749 1031845196 /nfs/dbraw/zinc/84/51/96/1031845196.db2.gz IZJUOTYQPFBIMN-IBGZPJMESA-N 1 2 338.838 3.901 20 0 EHADLO C[C@H]1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)C1 ZINC000180401745 1031849420 /nfs/dbraw/zinc/84/94/20/1031849420.db2.gz CAKMSDQCMQWHHO-HZPDHXFCSA-N 1 2 330.472 3.530 20 0 EHADLO Cc1cccc2[nH]cc(CCNC(=O)c3cccc(-n4cc[nH+]c4)c3)c21 ZINC000117788438 1031855135 /nfs/dbraw/zinc/85/51/35/1031855135.db2.gz PSIBVNBIRDOVRN-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000584181034 1031869882 /nfs/dbraw/zinc/86/98/82/1031869882.db2.gz MBUUKPRXWYTURY-OAHLLOKOSA-N 1 2 325.437 3.854 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@]2(C)CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000448912821 1031881608 /nfs/dbraw/zinc/88/16/08/1031881608.db2.gz TYLWOJPVMYYGET-JXXFODFXSA-N 1 2 330.472 3.845 20 0 EHADLO CCCCc1nc(C)c(Cc2nc(-c3c[nH+]c(N)cc3C)no2)s1 ZINC000904265884 1031894198 /nfs/dbraw/zinc/89/41/98/1031894198.db2.gz UDFACCVMPSTATH-UHFFFAOYSA-N 1 2 343.456 3.721 20 0 EHADLO CCCOc1ccc(CCc2nc(-c3c[nH+]c(N)cc3C)no2)cc1 ZINC000904270290 1031898717 /nfs/dbraw/zinc/89/87/17/1031898717.db2.gz YPCBGSDIHDVPEN-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccc([C@@H]3CCCOC3)cc2)n1 ZINC000904261002 1031905665 /nfs/dbraw/zinc/90/56/65/1031905665.db2.gz WERCGZZKHKFNGZ-OAHLLOKOSA-N 1 2 336.395 3.583 20 0 EHADLO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000924644065 1031923192 /nfs/dbraw/zinc/92/31/92/1031923192.db2.gz RKFFEGFNARKHIH-VXGBXAGGSA-N 1 2 344.272 3.508 20 0 EHADLO Cn1c(C[NH2+]C(c2ccccc2)c2ccccc2)nnc1C1CCC1 ZINC000180939838 1031927344 /nfs/dbraw/zinc/92/73/44/1031927344.db2.gz UVDLEWISQSQHPX-UHFFFAOYSA-N 1 2 332.451 3.962 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000455910542 1031960227 /nfs/dbraw/zinc/96/02/27/1031960227.db2.gz PVBZNIWZTWTBDD-PBHICJAKSA-N 1 2 342.443 3.569 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380352 1031979060 /nfs/dbraw/zinc/97/90/60/1031979060.db2.gz HBUKRGGXBGUCNG-IAGOWNOFSA-N 1 2 346.519 3.642 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380352 1031979075 /nfs/dbraw/zinc/97/90/75/1031979075.db2.gz HBUKRGGXBGUCNG-IAGOWNOFSA-N 1 2 346.519 3.642 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000181711192 1032021484 /nfs/dbraw/zinc/02/14/84/1032021484.db2.gz OLRFMPRNXOTYPQ-INIZCTEOSA-N 1 2 328.460 3.722 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000195087749 1032031758 /nfs/dbraw/zinc/03/17/58/1032031758.db2.gz FBTXGIMXKXCUGT-CYBMUJFWSA-N 1 2 336.395 3.546 20 0 EHADLO CC[C@H](C)Sc1ccc(NC(=O)NCCc2cn(C)c[nH+]2)c(C)c1 ZINC000459398256 1032035632 /nfs/dbraw/zinc/03/56/32/1032035632.db2.gz YJGCNNMOPHCUOV-AWEZNQCLSA-N 1 2 346.500 3.983 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000181927259 1032042634 /nfs/dbraw/zinc/04/26/34/1032042634.db2.gz GPXZQUNTAUFAPZ-KBPBESRZSA-N 1 2 329.444 3.897 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCN(Cc3cc4cccnc4o3)CC2)cc1 ZINC000449010304 1032051212 /nfs/dbraw/zinc/05/12/12/1032051212.db2.gz SCPGNTQLHIMVSY-UHFFFAOYSA-N 1 2 339.414 3.675 20 0 EHADLO Fc1ccc(C[N@H+]2CCCN(Cc3cc4cccnc4o3)CC2)cc1 ZINC000449010304 1032051234 /nfs/dbraw/zinc/05/12/34/1032051234.db2.gz SCPGNTQLHIMVSY-UHFFFAOYSA-N 1 2 339.414 3.675 20 0 EHADLO COc1cc(Br)ccc1C[NH2+][C@H](C)c1cscn1 ZINC000574622771 1033325463 /nfs/dbraw/zinc/32/54/63/1033325463.db2.gz PSSGQODVFVXKPD-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO C[C@H]1C[N@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)[C@H]1c1ccccc1 ZINC000173459290 1033319887 /nfs/dbraw/zinc/31/98/87/1033319887.db2.gz PZUKQHXAVWMXLL-QWQRMKEZSA-N 1 2 328.481 3.685 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)[C@H]1c1ccccc1 ZINC000173459290 1033319899 /nfs/dbraw/zinc/31/98/99/1033319899.db2.gz PZUKQHXAVWMXLL-QWQRMKEZSA-N 1 2 328.481 3.685 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000603097152 1033363244 /nfs/dbraw/zinc/36/32/44/1033363244.db2.gz YWTYINWCPHWCPS-UHFFFAOYSA-N 1 2 344.484 3.727 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120114760 1033374667 /nfs/dbraw/zinc/37/46/67/1033374667.db2.gz RGHLHSGPCCCZRB-HUUCEWRRSA-N 1 2 347.890 3.685 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120114760 1033374683 /nfs/dbraw/zinc/37/46/83/1033374683.db2.gz RGHLHSGPCCCZRB-HUUCEWRRSA-N 1 2 347.890 3.685 20 0 EHADLO COc1ccccc1C[N@H+](Cn1nccc1-c1cccnc1)C1CC1 ZINC000170637995 1033375333 /nfs/dbraw/zinc/37/53/33/1033375333.db2.gz QEXHNTOMWUMGGR-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO COc1ccccc1C[N@@H+](Cn1nccc1-c1cccnc1)C1CC1 ZINC000170637995 1033375353 /nfs/dbraw/zinc/37/53/53/1033375353.db2.gz QEXHNTOMWUMGGR-UHFFFAOYSA-N 1 2 334.423 3.576 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000594446422 1033378103 /nfs/dbraw/zinc/37/81/03/1033378103.db2.gz ANZSCLCKCBPULO-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000173536574 1033382429 /nfs/dbraw/zinc/38/24/29/1033382429.db2.gz PLVLWHDRXYRHBY-KRWDZBQOSA-N 1 2 333.505 3.737 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000173536574 1033382438 /nfs/dbraw/zinc/38/24/38/1033382438.db2.gz PLVLWHDRXYRHBY-KRWDZBQOSA-N 1 2 333.505 3.737 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000170646650 1033384761 /nfs/dbraw/zinc/38/47/61/1033384761.db2.gz KETJPLIXUPXDJN-UHFFFAOYSA-N 1 2 347.484 3.597 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000170646650 1033384769 /nfs/dbraw/zinc/38/47/69/1033384769.db2.gz KETJPLIXUPXDJN-UHFFFAOYSA-N 1 2 347.484 3.597 20 0 EHADLO COCc1cc(C[NH2+][C@H](C)c2cc3ccccc3c(OC)c2)no1 ZINC000898241855 1033396129 /nfs/dbraw/zinc/39/61/29/1033396129.db2.gz NEOLHWXBISJTDT-CYBMUJFWSA-N 1 2 326.396 3.834 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000449903321 1033403519 /nfs/dbraw/zinc/40/35/19/1033403519.db2.gz MTFPFFAEAPPFDK-MOPGFXCFSA-N 1 2 344.499 3.982 20 0 EHADLO CCSc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000120165908 1033408184 /nfs/dbraw/zinc/40/81/84/1033408184.db2.gz KKEUNLZIOKGTNH-UHFFFAOYSA-N 1 2 346.521 3.818 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173615600 1033436160 /nfs/dbraw/zinc/43/61/60/1033436160.db2.gz SAJFBFPQVZWSKY-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000173615600 1033436166 /nfs/dbraw/zinc/43/61/66/1033436166.db2.gz SAJFBFPQVZWSKY-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2conc2C2CCCC2)n1 ZINC000898312397 1033448529 /nfs/dbraw/zinc/44/85/29/1033448529.db2.gz FTDMRLCPJUPLPZ-UHFFFAOYSA-N 1 2 348.472 3.883 20 0 EHADLO C[C@@H](CCc1ccco1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616974 1033467092 /nfs/dbraw/zinc/46/70/92/1033467092.db2.gz YRWIDJNHGICGLN-YJBOKZPZSA-N 1 2 344.455 3.538 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000594632275 1033468923 /nfs/dbraw/zinc/46/89/23/1033468923.db2.gz OFQQHQUTOPXDNF-IBGZPJMESA-N 1 2 336.439 3.898 20 0 EHADLO c1cn2c(cccc2CNc2ccc(OCc3ccccc3)nc2)[nH+]1 ZINC000537505197 1033511613 /nfs/dbraw/zinc/51/16/13/1033511613.db2.gz JEDCFNRMUGWJDO-UHFFFAOYSA-N 1 2 330.391 3.920 20 0 EHADLO O=C(CCOc1ccc2ccccc2c1)Nc1cccc2[nH+]ccn21 ZINC000460341696 1033514551 /nfs/dbraw/zinc/51/45/51/1033514551.db2.gz OUBZUTHXOQABAI-UHFFFAOYSA-N 1 2 331.375 3.895 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ccco2)n1)C(=O)Nc1ccccc1 ZINC000594787433 1033517457 /nfs/dbraw/zinc/51/74/57/1033517457.db2.gz GYRBMWFCYRYAAL-UHFFFAOYSA-N 1 2 341.436 3.910 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)[C@H](C)CO1 ZINC000173832936 1033536383 /nfs/dbraw/zinc/53/63/83/1033536383.db2.gz PMZJPGADGXOLKK-UAOJZALGSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)[C@H](C)CO1 ZINC000173832936 1033536392 /nfs/dbraw/zinc/53/63/92/1033536392.db2.gz PMZJPGADGXOLKK-UAOJZALGSA-N 1 2 347.405 3.769 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000608215427 1033549142 /nfs/dbraw/zinc/54/91/42/1033549142.db2.gz YVJNRPIBPYHGGV-LJQANCHMSA-N 1 2 335.382 3.658 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000460364850 1033578507 /nfs/dbraw/zinc/57/85/07/1033578507.db2.gz VHRQDCDJELVVDL-UHFFFAOYSA-N 1 2 346.434 3.584 20 0 EHADLO CSCC[C@@H]([NH2+]Cc1ccc(SC)o1)c1nnc2ccccn21 ZINC000603424873 1033619716 /nfs/dbraw/zinc/61/97/16/1033619716.db2.gz QVFOTBMVJYSEAV-CYBMUJFWSA-N 1 2 348.497 3.628 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000529248790 1033653324 /nfs/dbraw/zinc/65/33/24/1033653324.db2.gz AYKAOQGIPTXUEG-LLVKDONJSA-N 1 2 336.798 3.542 20 0 EHADLO CCC[C@@H](CC)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608415137 1033673824 /nfs/dbraw/zinc/67/38/24/1033673824.db2.gz UUICYMKAZHFSSV-IAGOWNOFSA-N 1 2 328.460 3.582 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC1(C)CCCC1)c1ccccc1 ZINC000608429163 1033680683 /nfs/dbraw/zinc/68/06/83/1033680683.db2.gz QKDKTEHWWGKYEL-QGZVFWFLSA-N 1 2 340.471 3.583 20 0 EHADLO CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000685653838 1033683809 /nfs/dbraw/zinc/68/38/09/1033683809.db2.gz ZYGFTTRNBXDXLC-UHFFFAOYSA-N 1 2 332.835 3.882 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000475663992 1033694277 /nfs/dbraw/zinc/69/42/77/1033694277.db2.gz ZWLPHORELVCMTK-ZIAGYGMSSA-N 1 2 349.425 3.954 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(OC)c3)CCC2)s1 ZINC000595093020 1033699921 /nfs/dbraw/zinc/69/99/21/1033699921.db2.gz DOLZBEOHFXRSGY-LBPRGKRZSA-N 1 2 346.452 3.668 20 0 EHADLO CCc1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063790338 1033700365 /nfs/dbraw/zinc/70/03/65/1033700365.db2.gz HOUWPOUDFJWPQY-UHFFFAOYSA-N 1 2 336.464 3.921 20 0 EHADLO CC(C)COCC[NH+]1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000669687501 1033733177 /nfs/dbraw/zinc/73/31/77/1033733177.db2.gz BVPNZLLSVTXWSK-INIZCTEOSA-N 1 2 347.528 3.648 20 0 EHADLO CC(C)C[C@H](C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)n1cc[nH+]c1 ZINC000635662417 1033737252 /nfs/dbraw/zinc/73/72/52/1033737252.db2.gz WJKZVFPAVLHCNQ-SOUVJXGZSA-N 1 2 345.409 3.955 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000529271826 1033745575 /nfs/dbraw/zinc/74/55/75/1033745575.db2.gz VHYMRBRLLBNJHP-UHFFFAOYSA-N 1 2 349.438 3.777 20 0 EHADLO C[C@@H]1CCN(C(=O)C2=C(c3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450155505 1033820408 /nfs/dbraw/zinc/82/04/08/1033820408.db2.gz ANPFLXVEJRLSEZ-UZLBHIALSA-N 1 2 335.451 3.930 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450158342 1033825132 /nfs/dbraw/zinc/82/51/32/1033825132.db2.gz JKKNGRGAFHHUOC-HOCLYGCPSA-N 1 2 349.837 3.718 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608716288 1033851549 /nfs/dbraw/zinc/85/15/49/1033851549.db2.gz SKDZVIOPIOBHKD-RTBURBONSA-N 1 2 338.455 3.771 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(F)c1 ZINC000575078683 1033869083 /nfs/dbraw/zinc/86/90/83/1033869083.db2.gz KOOBKYSYHIDUEP-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC2CC(F)(F)C2)c(C)c1 ZINC000450199087 1033879371 /nfs/dbraw/zinc/87/93/71/1033879371.db2.gz TXSOQVPTFXSKOA-KRWDZBQOSA-N 1 2 347.409 3.793 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)nc1 ZINC000450210848 1033900571 /nfs/dbraw/zinc/90/05/71/1033900571.db2.gz LSOXYDJSINLXJO-UHFFFAOYSA-N 1 2 348.830 3.552 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)nc1 ZINC000450210848 1033900583 /nfs/dbraw/zinc/90/05/83/1033900583.db2.gz LSOXYDJSINLXJO-UHFFFAOYSA-N 1 2 348.830 3.552 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](Cc2ccccc2F)C2CC2)nc1 ZINC000450220672 1033925964 /nfs/dbraw/zinc/92/59/64/1033925964.db2.gz KBDHBUZFROXMFY-UHFFFAOYSA-N 1 2 328.387 3.562 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)nc1 ZINC000450220672 1033925976 /nfs/dbraw/zinc/92/59/76/1033925976.db2.gz KBDHBUZFROXMFY-UHFFFAOYSA-N 1 2 328.387 3.562 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1occc1COc1ccccc1 ZINC000603785837 1033934298 /nfs/dbraw/zinc/93/42/98/1033934298.db2.gz LKJJBFCHDPBYTJ-UHFFFAOYSA-N 1 2 333.347 3.759 20 0 EHADLO Cc1ccccc1OCCCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000599534930 1033993365 /nfs/dbraw/zinc/99/33/65/1033993365.db2.gz MYLQOVVAZLMZFF-UHFFFAOYSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1ccccc1OCCCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000599534930 1033993380 /nfs/dbraw/zinc/99/33/80/1033993380.db2.gz MYLQOVVAZLMZFF-UHFFFAOYSA-N 1 2 340.471 3.681 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056555869 1034036251 /nfs/dbraw/zinc/03/62/51/1034036251.db2.gz ACOCTPVCGNCJRS-LJQANCHMSA-N 1 2 334.423 3.583 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000548861217 1034039014 /nfs/dbraw/zinc/03/90/14/1034039014.db2.gz QMWDOTMIEQKAEC-LSDHHAIUSA-N 1 2 342.491 3.728 20 0 EHADLO CCCCn1c(SCc2cscn2)nnc1[C@@H](CC)[NH+](C)C ZINC000061348241 1034042073 /nfs/dbraw/zinc/04/20/73/1034042073.db2.gz KOHJHMQQTCJASH-CYBMUJFWSA-N 1 2 339.534 3.840 20 0 EHADLO CCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)C(C)C ZINC000074869357 1034046641 /nfs/dbraw/zinc/04/66/41/1034046641.db2.gz OWMGUAQWJRUEIF-WMZOPIPTSA-N 1 2 342.487 3.780 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000599629268 1034051416 /nfs/dbraw/zinc/05/14/16/1034051416.db2.gz IATMPLAFFFRMMM-GOSISDBHSA-N 1 2 330.428 3.955 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000118958117 1034060500 /nfs/dbraw/zinc/06/05/00/1034060500.db2.gz CVLFRFNRBDJSHB-HQRMLTQVSA-N 1 2 337.467 3.606 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1F ZINC000658227579 1034086741 /nfs/dbraw/zinc/08/67/41/1034086741.db2.gz IKSAVAREZGQKSD-ZDUSSCGKSA-N 1 2 336.794 3.886 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000119271365 1034105412 /nfs/dbraw/zinc/10/54/12/1034105412.db2.gz UVWCEQQRSOSZIP-AWEZNQCLSA-N 1 2 345.512 3.874 20 0 EHADLO CCN(CC)C(=O)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529526721 1034106148 /nfs/dbraw/zinc/10/61/48/1034106148.db2.gz YDXKJBAUDLHAEE-UHFFFAOYSA-N 1 2 344.833 3.699 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2nc3ccccc3s2)Cc2ccccc21 ZINC000599680432 1034110498 /nfs/dbraw/zinc/11/04/98/1034110498.db2.gz LZWJRTLNOOLZTI-HNNXBMFYSA-N 1 2 338.432 3.569 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2nc3ccccc3s2)Cc2ccccc21 ZINC000599680432 1034110505 /nfs/dbraw/zinc/11/05/05/1034110505.db2.gz LZWJRTLNOOLZTI-HNNXBMFYSA-N 1 2 338.432 3.569 20 0 EHADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000596222457 1034124667 /nfs/dbraw/zinc/12/46/67/1034124667.db2.gz MKIIQZFYUMODKG-CQSZACIVSA-N 1 2 331.460 3.829 20 0 EHADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000596222457 1034124683 /nfs/dbraw/zinc/12/46/83/1034124683.db2.gz MKIIQZFYUMODKG-CQSZACIVSA-N 1 2 331.460 3.829 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000596218012 1034125276 /nfs/dbraw/zinc/12/52/76/1034125276.db2.gz RALWVCZGWVTSSU-WBVHZDCISA-N 1 2 328.387 3.684 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000537616377 1034142701 /nfs/dbraw/zinc/14/27/01/1034142701.db2.gz MIIQYGNDNZHOGM-CQSZACIVSA-N 1 2 334.407 3.690 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000537616377 1034142710 /nfs/dbraw/zinc/14/27/10/1034142710.db2.gz MIIQYGNDNZHOGM-CQSZACIVSA-N 1 2 334.407 3.690 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CC(F)(F)C1 ZINC000529544135 1034151341 /nfs/dbraw/zinc/15/13/41/1034151341.db2.gz WMAGBTCIIACRHU-FRRDWIJNSA-N 1 2 325.403 3.541 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000604034869 1034163857 /nfs/dbraw/zinc/16/38/57/1034163857.db2.gz KHTNPFLGLDHLLZ-IAGOWNOFSA-N 1 2 331.504 3.749 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000529554973 1034191662 /nfs/dbraw/zinc/19/16/62/1034191662.db2.gz NYQFNRCISDPNGD-KBPBESRZSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000529554973 1034191671 /nfs/dbraw/zinc/19/16/71/1034191671.db2.gz NYQFNRCISDPNGD-KBPBESRZSA-N 1 2 345.668 3.641 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000120824656 1034178838 /nfs/dbraw/zinc/17/88/38/1034178838.db2.gz WMOQOWKCGPVKKO-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120836724 1034180668 /nfs/dbraw/zinc/18/06/68/1034180668.db2.gz CLGLYEPIPQQXMQ-FUHWJXTLSA-N 1 2 331.504 3.808 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)[C@@H]1CCOC1 ZINC000450353094 1034183591 /nfs/dbraw/zinc/18/35/91/1034183591.db2.gz DHPAKHKMFBGKBX-NXEZZACHSA-N 1 2 339.208 3.973 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccsc1C(F)(F)F)C[C@H](C)O2 ZINC000529554443 1034186617 /nfs/dbraw/zinc/18/66/17/1034186617.db2.gz BCIXYGPXSZOQNQ-TYNCELHUSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@H](C)O2 ZINC000529554443 1034186629 /nfs/dbraw/zinc/18/66/29/1034186629.db2.gz BCIXYGPXSZOQNQ-TYNCELHUSA-N 1 2 349.418 3.925 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(Br)c1 ZINC000529595571 1034237334 /nfs/dbraw/zinc/23/73/34/1034237334.db2.gz JMQJWLOXKNFAIN-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(Br)c1 ZINC000529595571 1034237349 /nfs/dbraw/zinc/23/73/49/1034237349.db2.gz JMQJWLOXKNFAIN-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1C(C)C ZINC000456297550 1034289271 /nfs/dbraw/zinc/28/92/71/1034289271.db2.gz RHNTYEXYXPEAED-OALUTQOASA-N 1 2 325.456 3.684 20 0 EHADLO O=C(c1nc2ccccc2cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685707889 1034291524 /nfs/dbraw/zinc/29/15/24/1034291524.db2.gz KMJRIFCOSIJKOK-CQSZACIVSA-N 1 2 340.814 3.562 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](c4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000604257826 1034306124 /nfs/dbraw/zinc/30/61/24/1034306124.db2.gz OFMASRRKYSIEDN-FUHWJXTLSA-N 1 2 333.435 3.590 20 0 EHADLO CC(C)SCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614082 1034323909 /nfs/dbraw/zinc/32/39/09/1034323909.db2.gz QLEVBJNNAOOBSW-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO CC(C)SCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614082 1034323921 /nfs/dbraw/zinc/32/39/21/1034323921.db2.gz QLEVBJNNAOOBSW-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc(C)c1O ZINC000529642269 1034334616 /nfs/dbraw/zinc/33/46/16/1034334616.db2.gz OJKSBVXUYVWVJI-UHFFFAOYSA-N 1 2 325.456 3.655 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc(C)c1O ZINC000529642269 1034334629 /nfs/dbraw/zinc/33/46/29/1034334629.db2.gz OJKSBVXUYVWVJI-UHFFFAOYSA-N 1 2 325.456 3.655 20 0 EHADLO C[C@@H](c1csnn1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000450441962 1034336478 /nfs/dbraw/zinc/33/64/78/1034336478.db2.gz RLVSPULDVZSVGT-STQMWFEESA-N 1 2 336.892 3.631 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000121011812 1034348204 /nfs/dbraw/zinc/34/82/04/1034348204.db2.gz IAEKZOKSAMYBIP-MRXNPFEDSA-N 1 2 335.407 3.704 20 0 EHADLO O=C(C1CCC=CCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000635898053 1034400750 /nfs/dbraw/zinc/40/07/50/1034400750.db2.gz XUKPJRFLKSWTMG-KRWDZBQOSA-N 1 2 327.472 3.672 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)nc2ccc(Cl)cc21 ZINC000534332024 1034406919 /nfs/dbraw/zinc/40/69/19/1034406919.db2.gz GAJOIDIVFHOQRT-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccccn2)nc2ccc(Cl)cc21 ZINC000534332024 1034406928 /nfs/dbraw/zinc/40/69/28/1034406928.db2.gz GAJOIDIVFHOQRT-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO O=C(CCC[N@@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1 ZINC000450492974 1034427235 /nfs/dbraw/zinc/42/72/35/1034427235.db2.gz YKAZNSFAMKSWMJ-QGZVFWFLSA-N 1 2 333.428 3.924 20 0 EHADLO O=C(CCC[N@H+]1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1 ZINC000450492974 1034427238 /nfs/dbraw/zinc/42/72/38/1034427238.db2.gz YKAZNSFAMKSWMJ-QGZVFWFLSA-N 1 2 333.428 3.924 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000534336071 1034430689 /nfs/dbraw/zinc/43/06/89/1034430689.db2.gz CWKOFFYINXESQI-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000534336071 1034430698 /nfs/dbraw/zinc/43/06/98/1034430698.db2.gz CWKOFFYINXESQI-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000060374601 1034432532 /nfs/dbraw/zinc/43/25/32/1034432532.db2.gz MQSDRCQCBQPYGJ-UHFFFAOYSA-N 1 2 328.243 3.546 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000060374601 1034432525 /nfs/dbraw/zinc/43/25/25/1034432525.db2.gz MQSDRCQCBQPYGJ-UHFFFAOYSA-N 1 2 328.243 3.546 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cn(CC3CC3)nn2)c2ccccc2)cc1 ZINC000450506451 1034440996 /nfs/dbraw/zinc/44/09/96/1034440996.db2.gz KCYMSRSWTOJHFO-NRFANRHFSA-N 1 2 332.451 3.876 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(C)cccc2Cl)CC1 ZINC000450517130 1034456590 /nfs/dbraw/zinc/45/65/90/1034456590.db2.gz DSCGXLUTQKQXEO-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC000450517130 1034456607 /nfs/dbraw/zinc/45/66/07/1034456607.db2.gz DSCGXLUTQKQXEO-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Fc1cc2[nH+]ccc(NCC3=CCCOC3)c2cc1Br ZINC000450526146 1034480386 /nfs/dbraw/zinc/48/03/86/1034480386.db2.gz FKDJLZDZFMQTJQ-UHFFFAOYSA-N 1 2 337.192 3.895 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596989797 1034496308 /nfs/dbraw/zinc/49/63/08/1034496308.db2.gz DZRUDZLIPRUPFW-MRXNPFEDSA-N 1 2 331.485 3.911 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000604803651 1034511145 /nfs/dbraw/zinc/51/11/45/1034511145.db2.gz QZVPCCZNZAHGBI-OAHLLOKOSA-N 1 2 342.443 3.805 20 0 EHADLO OC[C@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCC1(F)F ZINC000450540821 1034515431 /nfs/dbraw/zinc/51/54/31/1034515431.db2.gz QKEDTXCWLDODNU-GFCCVEGCSA-N 1 2 346.299 3.708 20 0 EHADLO O[C@@H]1CC[C@@H]2CN(c3[nH+]ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC000413589831 1034519276 /nfs/dbraw/zinc/51/92/76/1034519276.db2.gz ZCJFKOYPFHLVRN-VNHYZAJKSA-N 1 2 347.256 3.595 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2Cl)o1 ZINC000311751748 1034537040 /nfs/dbraw/zinc/53/70/40/1034537040.db2.gz JATFWQSSWYQQHR-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO CCCC[C@H](CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000604935912 1034553482 /nfs/dbraw/zinc/55/34/82/1034553482.db2.gz UPFMYXAAHGIKMJ-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO CCCC[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000604935912 1034553494 /nfs/dbraw/zinc/55/34/94/1034553494.db2.gz UPFMYXAAHGIKMJ-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO C[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603709 1034557500 /nfs/dbraw/zinc/55/75/00/1034557500.db2.gz HYBJQTDDBWPTBH-GXFFZTMASA-N 1 2 349.830 3.536 20 0 EHADLO C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603709 1034557506 /nfs/dbraw/zinc/55/75/06/1034557506.db2.gz HYBJQTDDBWPTBH-GXFFZTMASA-N 1 2 349.830 3.536 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456583279 1034578019 /nfs/dbraw/zinc/57/80/19/1034578019.db2.gz ZZANLOZRPYYHBP-GOSISDBHSA-N 1 2 333.391 3.833 20 0 EHADLO CC(C)c1nnc(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)[nH]1 ZINC000450630599 1034586051 /nfs/dbraw/zinc/58/60/51/1034586051.db2.gz XAIHCPVRQWICLD-UHFFFAOYSA-N 1 2 335.333 3.529 20 0 EHADLO CC(C)(CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000605090963 1034624396 /nfs/dbraw/zinc/62/43/96/1034624396.db2.gz GJPQJFCOEXZMMH-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2c1 ZINC000548909338 1034629435 /nfs/dbraw/zinc/62/94/35/1034629435.db2.gz XXKQLEHIRFCHPB-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1C ZINC000534544369 1034641117 /nfs/dbraw/zinc/64/11/17/1034641117.db2.gz ZZFHCPLWEKCULU-AWEZNQCLSA-N 1 2 340.389 3.675 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1C ZINC000534544369 1034641128 /nfs/dbraw/zinc/64/11/28/1034641128.db2.gz ZZFHCPLWEKCULU-AWEZNQCLSA-N 1 2 340.389 3.675 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)nc2ccccc21 ZINC000605156329 1034655454 /nfs/dbraw/zinc/65/54/54/1034655454.db2.gz RCORXDFUDJRFCP-KRWDZBQOSA-N 1 2 337.448 3.626 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@H](c3ccccc3)C2)nc2ccccc21 ZINC000605156329 1034655462 /nfs/dbraw/zinc/65/54/62/1034655462.db2.gz RCORXDFUDJRFCP-KRWDZBQOSA-N 1 2 337.448 3.626 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1c(C)noc1C ZINC000450723755 1034711178 /nfs/dbraw/zinc/71/11/78/1034711178.db2.gz KBCXROLUVLAISA-LJQANCHMSA-N 1 2 338.455 3.972 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000628253257 1034762732 /nfs/dbraw/zinc/76/27/32/1034762732.db2.gz ZAXFUGFYLWHJBB-MWLCHTKSSA-N 1 2 347.324 3.902 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000628253257 1034762742 /nfs/dbraw/zinc/76/27/42/1034762742.db2.gz ZAXFUGFYLWHJBB-MWLCHTKSSA-N 1 2 347.324 3.902 20 0 EHADLO CC(C)[C@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605542899 1034770593 /nfs/dbraw/zinc/77/05/93/1034770593.db2.gz BPQLGPZOMUQFDT-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](OC)[C@H](C)C1 ZINC000450750853 1034770509 /nfs/dbraw/zinc/77/05/09/1034770509.db2.gz COLWMUBIVGMLTI-RDTXWAMCSA-N 1 2 342.439 3.581 20 0 EHADLO CC1(C)CCC[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000456874589 1034799915 /nfs/dbraw/zinc/79/99/15/1034799915.db2.gz AKVHMACYMJJLIY-GOSISDBHSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c[nH+]1 ZINC000456866156 1034800329 /nfs/dbraw/zinc/80/03/29/1034800329.db2.gz UIFVAWLYUQWMRK-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)n1 ZINC000450838685 1034869059 /nfs/dbraw/zinc/86/90/59/1034869059.db2.gz YHXJOAVMUCOAIA-VIFPVBQESA-N 1 2 334.372 3.666 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)n1 ZINC000450928607 1034954715 /nfs/dbraw/zinc/95/47/15/1034954715.db2.gz SBIMSACAIDIDFS-HWPZZCPQSA-N 1 2 336.844 3.608 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612458611 1034957678 /nfs/dbraw/zinc/95/76/78/1034957678.db2.gz NSZCOYMRBAMYFQ-GFCCVEGCSA-N 1 2 332.835 3.560 20 0 EHADLO O=C(c1nc2ccccc2cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000685777907 1034982980 /nfs/dbraw/zinc/98/29/80/1034982980.db2.gz ZLYFBQZNTUTFJQ-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1nc2ccccc2cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000685777907 1034982985 /nfs/dbraw/zinc/98/29/85/1034982985.db2.gz ZLYFBQZNTUTFJQ-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](c1ccccc1)C1CC1)C2 ZINC000376055646 1035193514 /nfs/dbraw/zinc/19/35/14/1035193514.db2.gz KXPQLMSEIBQBPZ-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](c1ccccc1)C1CC1)CC2 ZINC000376055646 1035193521 /nfs/dbraw/zinc/19/35/21/1035193521.db2.gz KXPQLMSEIBQBPZ-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO CC1(C)CCC(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000685806089 1035227907 /nfs/dbraw/zinc/22/79/07/1035227907.db2.gz MVCZINBQMCYEIP-UHFFFAOYSA-N 1 2 339.483 3.807 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376120319 1035290617 /nfs/dbraw/zinc/29/06/17/1035290617.db2.gz YPEZOZGJTZZABA-HNNXBMFYSA-N 1 2 343.496 3.940 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612992919 1035340516 /nfs/dbraw/zinc/34/05/16/1035340516.db2.gz APXAOTODKPETOJ-HOTGVXAUSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612992919 1035340520 /nfs/dbraw/zinc/34/05/20/1035340520.db2.gz APXAOTODKPETOJ-HOTGVXAUSA-N 1 2 336.838 3.531 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000281408389 1035367797 /nfs/dbraw/zinc/36/77/97/1035367797.db2.gz WYPMZLYFAUHDLT-UHFFFAOYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000281408389 1035367800 /nfs/dbraw/zinc/36/78/00/1035367800.db2.gz WYPMZLYFAUHDLT-UHFFFAOYSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1oc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc1C1CC1 ZINC000892522507 1035409101 /nfs/dbraw/zinc/40/91/01/1035409101.db2.gz DIPOMCRWQSXDJH-OAHLLOKOSA-N 1 2 333.819 3.755 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(Cl)c1OC ZINC000685849605 1035412553 /nfs/dbraw/zinc/41/25/53/1035412553.db2.gz QMVILYCTPBJVQB-WMLDXEAASA-N 1 2 339.863 3.747 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(Cl)c1OC ZINC000685849605 1035412555 /nfs/dbraw/zinc/41/25/55/1035412555.db2.gz QMVILYCTPBJVQB-WMLDXEAASA-N 1 2 339.863 3.747 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414073449 1035446707 /nfs/dbraw/zinc/44/67/07/1035446707.db2.gz MBNZFZMIVRKOJA-RYUDHWBXSA-N 1 2 334.441 3.740 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000066448218 1035470940 /nfs/dbraw/zinc/47/09/40/1035470940.db2.gz ORKDXLKDGBQDRT-AWEZNQCLSA-N 1 2 334.514 3.843 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000066448218 1035470942 /nfs/dbraw/zinc/47/09/42/1035470942.db2.gz ORKDXLKDGBQDRT-AWEZNQCLSA-N 1 2 334.514 3.843 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177974204 1035476175 /nfs/dbraw/zinc/47/61/75/1035476175.db2.gz IXFQMPYHZZWUQG-IBGZPJMESA-N 1 2 341.455 3.616 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000613326953 1035571312 /nfs/dbraw/zinc/57/13/12/1035571312.db2.gz UPXFZGFLGRRBPA-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO CC(C)O[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000431800900 1035583738 /nfs/dbraw/zinc/58/37/38/1035583738.db2.gz MRXMEHHRDSFDEX-IBGZPJMESA-N 1 2 335.407 3.977 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000186181672 1035597160 /nfs/dbraw/zinc/59/71/60/1035597160.db2.gz WMZXBWOSJODFHY-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000186181672 1035597167 /nfs/dbraw/zinc/59/71/67/1035597167.db2.gz WMZXBWOSJODFHY-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186176461 1035598064 /nfs/dbraw/zinc/59/80/64/1035598064.db2.gz BDRLHNUUBHVJDL-CYBMUJFWSA-N 1 2 342.389 3.839 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186176461 1035598068 /nfs/dbraw/zinc/59/80/68/1035598068.db2.gz BDRLHNUUBHVJDL-CYBMUJFWSA-N 1 2 342.389 3.839 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)c1ccn(C)n1 ZINC000414123140 1035632943 /nfs/dbraw/zinc/63/29/43/1035632943.db2.gz BMSGGTOHEFKASL-NXEZZACHSA-N 1 2 326.213 3.734 20 0 EHADLO CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1nc(C)cs1 ZINC000669241563 1035642643 /nfs/dbraw/zinc/64/26/43/1035642643.db2.gz CUGHWVVGKBNNGP-OAHLLOKOSA-N 1 2 340.452 3.750 20 0 EHADLO Cc1ccccc1C(NC(=O)NCCn1cc[nH+]c1)c1ccccc1C ZINC000186527607 1035655084 /nfs/dbraw/zinc/65/50/84/1035655084.db2.gz GEPQODSOVOIRCE-UHFFFAOYSA-N 1 2 348.450 3.589 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000186558605 1035657094 /nfs/dbraw/zinc/65/70/94/1035657094.db2.gz XPKSDARYFVGIOX-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO CC(C)[C@H](N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000540746401 1035656851 /nfs/dbraw/zinc/65/68/51/1035656851.db2.gz XFOWUMSVQKASRI-YJBOKZPZSA-N 1 2 343.471 3.889 20 0 EHADLO Cc1ccccc1-c1nc(CN2CCC(Nc3cccc[nH+]3)CC2)no1 ZINC000534862720 1035720916 /nfs/dbraw/zinc/72/09/16/1035720916.db2.gz QTRIVTCCNIEOIU-UHFFFAOYSA-N 1 2 349.438 3.517 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC2(CCCCC2)CC1 ZINC000588191654 1035809307 /nfs/dbraw/zinc/80/93/07/1035809307.db2.gz BVAVGUKHBHDWRQ-UHFFFAOYSA-N 1 2 341.499 3.758 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(CC(C)C)CC1 ZINC000428776061 1035857142 /nfs/dbraw/zinc/85/71/42/1035857142.db2.gz BIJKWJZXWOZHOH-UHFFFAOYSA-N 1 2 334.508 3.693 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000613432853 1035866129 /nfs/dbraw/zinc/86/61/29/1035866129.db2.gz KFROBNQXNUORSO-GFCCVEGCSA-N 1 2 338.423 3.678 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000613432853 1035866156 /nfs/dbraw/zinc/86/61/56/1035866156.db2.gz KFROBNQXNUORSO-GFCCVEGCSA-N 1 2 338.423 3.678 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(c2ccsc2)CC1 ZINC000187984715 1035891952 /nfs/dbraw/zinc/89/19/52/1035891952.db2.gz RSSZODBSTLBEPJ-UHFFFAOYSA-N 1 2 337.448 3.954 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1cccc(F)c1 ZINC000541027063 1035913425 /nfs/dbraw/zinc/91/34/25/1035913425.db2.gz OVXMOBBALWYWOL-QGZVFWFLSA-N 1 2 346.402 3.912 20 0 EHADLO CC(C)c1ccc(C[C@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000535032506 1035937735 /nfs/dbraw/zinc/93/77/35/1035937735.db2.gz VPBVUXQWHFHSGR-KRWDZBQOSA-N 1 2 342.487 3.717 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCc2cnc3n2CCOC3)c1 ZINC000897409107 1035953354 /nfs/dbraw/zinc/95/33/54/1035953354.db2.gz XBMDUYHGMSQIMY-UHFFFAOYSA-N 1 2 348.328 3.592 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000541075722 1035956408 /nfs/dbraw/zinc/95/64/08/1035956408.db2.gz GDPKMNYWYIBYRS-HNNXBMFYSA-N 1 2 338.517 3.522 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000188716803 1035957404 /nfs/dbraw/zinc/95/74/04/1035957404.db2.gz ZRIRLYVXGCIQES-UHFFFAOYSA-N 1 2 339.370 3.923 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000613465260 1035968039 /nfs/dbraw/zinc/96/80/39/1035968039.db2.gz WYCKDTBCLZCGCZ-UONOGXRCSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000613465260 1035968049 /nfs/dbraw/zinc/96/80/49/1035968049.db2.gz WYCKDTBCLZCGCZ-UONOGXRCSA-N 1 2 332.394 3.835 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000188764501 1035981250 /nfs/dbraw/zinc/98/12/50/1035981250.db2.gz VYWZIYLHQIICSO-UHFFFAOYSA-N 1 2 348.450 3.628 20 0 EHADLO COc1sc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1Br ZINC000535085278 1035981476 /nfs/dbraw/zinc/98/14/76/1035981476.db2.gz RZQGMOYNLXVPMM-IUCAKERBSA-N 1 2 336.320 3.845 20 0 EHADLO COc1cccc(Cl)c1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535068701 1035987340 /nfs/dbraw/zinc/98/73/40/1035987340.db2.gz WKWAXEPZZFBCSJ-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535068701 1035987354 /nfs/dbraw/zinc/98/73/54/1035987354.db2.gz WKWAXEPZZFBCSJ-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572162801 1035994247 /nfs/dbraw/zinc/99/42/47/1035994247.db2.gz JBFXRJRZDXGNJQ-ZMSDIMECSA-N 1 2 343.858 3.551 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000305889293 1035995655 /nfs/dbraw/zinc/99/56/55/1035995655.db2.gz PSDVMJAPJCUPQL-UHFFFAOYSA-N 1 2 344.459 3.882 20 0 EHADLO C[N@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000508644214 1036004581 /nfs/dbraw/zinc/00/45/81/1036004581.db2.gz BEZPHPKMRRVKHP-OAHLLOKOSA-N 1 2 332.394 3.771 20 0 EHADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000508644214 1036004607 /nfs/dbraw/zinc/00/46/07/1036004607.db2.gz BEZPHPKMRRVKHP-OAHLLOKOSA-N 1 2 332.394 3.771 20 0 EHADLO C/C(=C/C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1Cl ZINC000066628093 1036018561 /nfs/dbraw/zinc/01/85/61/1036018561.db2.gz IOWQAZAMMNVHKP-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C/C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1Cl ZINC000066628093 1036018584 /nfs/dbraw/zinc/01/85/84/1036018584.db2.gz IOWQAZAMMNVHKP-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO C[C@@H](NC(=O)c1cc2sccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189155005 1036023380 /nfs/dbraw/zinc/02/33/80/1036023380.db2.gz VBLSEDJKQIMJDY-GFCCVEGCSA-N 1 2 336.420 3.906 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000613484075 1036036389 /nfs/dbraw/zinc/03/63/89/1036036389.db2.gz DNQVCOVRFUFLEM-UHFFFAOYSA-N 1 2 326.440 3.570 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000613484075 1036036408 /nfs/dbraw/zinc/03/64/08/1036036408.db2.gz DNQVCOVRFUFLEM-UHFFFAOYSA-N 1 2 326.440 3.570 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000457385937 1036049246 /nfs/dbraw/zinc/04/92/46/1036049246.db2.gz MCIJCBWJZGDVMI-DOTOQJQBSA-N 1 2 346.862 3.562 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178727 1036061798 /nfs/dbraw/zinc/06/17/98/1036061798.db2.gz HBAJKZPZIYGOPP-FUHWJXTLSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1F ZINC000174750213 1036088280 /nfs/dbraw/zinc/08/82/80/1036088280.db2.gz ZLLYGDXDLJWXDU-UHFFFAOYSA-N 1 2 341.361 3.636 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc2cnccc2c1 ZINC000572452653 1036123518 /nfs/dbraw/zinc/12/35/18/1036123518.db2.gz WINPLGCLUBCMRR-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cc1F ZINC000189747879 1036134285 /nfs/dbraw/zinc/13/42/85/1036134285.db2.gz UBVCBJLEROWHAD-CHWSQXEVSA-N 1 2 347.438 3.738 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCCC1=CCCCCC1 ZINC000464127486 1036145319 /nfs/dbraw/zinc/14/53/19/1036145319.db2.gz YMHUJHIAMNZMMR-UHFFFAOYSA-N 1 2 330.476 3.854 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000174870808 1036145625 /nfs/dbraw/zinc/14/56/25/1036145625.db2.gz KFXFICWYOTXILU-HNNXBMFYSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000174870808 1036145632 /nfs/dbraw/zinc/14/56/32/1036145632.db2.gz KFXFICWYOTXILU-HNNXBMFYSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)o1 ZINC000541293731 1036156201 /nfs/dbraw/zinc/15/62/01/1036156201.db2.gz XPVATXHVDNTLHA-UHFFFAOYSA-N 1 2 347.418 3.740 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccccc1 ZINC000174980770 1036189363 /nfs/dbraw/zinc/18/93/63/1036189363.db2.gz XMBABJVDIXNPNT-QRWLVFNGSA-N 1 2 338.455 3.630 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccccc1 ZINC000174980770 1036189374 /nfs/dbraw/zinc/18/93/74/1036189374.db2.gz XMBABJVDIXNPNT-QRWLVFNGSA-N 1 2 338.455 3.630 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC(C)(C)C1 ZINC000541335379 1036195299 /nfs/dbraw/zinc/19/52/99/1036195299.db2.gz AKMKJJJSQBETSF-AWEZNQCLSA-N 1 2 344.434 3.589 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCc2c(O)cccc21 ZINC000190141915 1036197331 /nfs/dbraw/zinc/19/73/31/1036197331.db2.gz DGSURCLWDFBTKO-SFHVURJKSA-N 1 2 333.391 3.637 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414238284 1036224413 /nfs/dbraw/zinc/22/44/13/1036224413.db2.gz JYVBPQSAFXWUCT-CQSZACIVSA-N 1 2 337.345 3.671 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC000175093010 1036237613 /nfs/dbraw/zinc/23/76/13/1036237613.db2.gz JSUHDGZBPPPDFX-INIZCTEOSA-N 1 2 348.512 3.621 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC000175093010 1036237628 /nfs/dbraw/zinc/23/76/28/1036237628.db2.gz JSUHDGZBPPPDFX-INIZCTEOSA-N 1 2 348.512 3.621 20 0 EHADLO COc1ccnc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1OC ZINC000190582581 1036252354 /nfs/dbraw/zinc/25/23/54/1036252354.db2.gz XZQYRKFFVIRTQB-KSSFIOAISA-N 1 2 344.480 3.777 20 0 EHADLO COc1ccnc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1OC ZINC000190582581 1036252375 /nfs/dbraw/zinc/25/23/75/1036252375.db2.gz XZQYRKFFVIRTQB-KSSFIOAISA-N 1 2 344.480 3.777 20 0 EHADLO Cc1nc(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc[nH+]1 ZINC000152275066 1036281775 /nfs/dbraw/zinc/28/17/75/1036281775.db2.gz CLAKBICWTSLATQ-LJQANCHMSA-N 1 2 335.407 3.510 20 0 EHADLO COc1ccc2c(c1NC(=O)c1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000190846336 1036282308 /nfs/dbraw/zinc/28/23/08/1036282308.db2.gz JGEOTIVIZOYJST-UHFFFAOYSA-N 1 2 333.391 3.622 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000392936887 1036298502 /nfs/dbraw/zinc/29/85/02/1036298502.db2.gz NYZOPXXRILPJKS-UHFFFAOYSA-N 1 2 345.447 3.842 20 0 EHADLO C[N@H+](Cc1ccsc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000589282580 1036339961 /nfs/dbraw/zinc/33/99/61/1036339961.db2.gz SLHSBKREXDNBDM-GOSISDBHSA-N 1 2 328.481 3.934 20 0 EHADLO C[N@@H+](Cc1ccsc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000589282580 1036339982 /nfs/dbraw/zinc/33/99/82/1036339982.db2.gz SLHSBKREXDNBDM-GOSISDBHSA-N 1 2 328.481 3.934 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000431826931 1036342621 /nfs/dbraw/zinc/34/26/21/1036342621.db2.gz ZFAJQBQDJVOEPI-RUCARUNLSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000175427956 1036357923 /nfs/dbraw/zinc/35/79/23/1036357923.db2.gz SFRDGAYBFLDPPA-MRXNPFEDSA-N 1 2 333.435 3.957 20 0 EHADLO C/C=C(/C=C/C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000492896670 1036385647 /nfs/dbraw/zinc/38/56/47/1036385647.db2.gz LIVCOPQKSDQKNB-VYNNSQDESA-N 1 2 327.472 3.838 20 0 EHADLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(-c3ccccc3)o2)cn1 ZINC000191739030 1036423359 /nfs/dbraw/zinc/42/33/59/1036423359.db2.gz UGZAOTIZDWHOEE-GOSISDBHSA-N 1 2 339.464 3.970 20 0 EHADLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(-c3ccccc3)o2)cn1 ZINC000191739030 1036423369 /nfs/dbraw/zinc/42/33/69/1036423369.db2.gz UGZAOTIZDWHOEE-GOSISDBHSA-N 1 2 339.464 3.970 20 0 EHADLO O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000191926557 1036444949 /nfs/dbraw/zinc/44/49/49/1036444949.db2.gz YMENSWTYACSSSH-QMMMGPOBSA-N 1 2 328.174 3.530 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410238 1036448079 /nfs/dbraw/zinc/44/80/79/1036448079.db2.gz LEOSZFLQCLMIHX-AWEZNQCLSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410238 1036448091 /nfs/dbraw/zinc/44/80/91/1036448091.db2.gz LEOSZFLQCLMIHX-AWEZNQCLSA-N 1 2 338.224 3.622 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000457758211 1036458348 /nfs/dbraw/zinc/45/83/48/1036458348.db2.gz QFVVWTXXPVOPED-QGZVFWFLSA-N 1 2 346.450 3.578 20 0 EHADLO c1nnc([C@@H]([NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)c2cccnc2)[nH]1 ZINC000572713667 1036467127 /nfs/dbraw/zinc/46/71/27/1036467127.db2.gz MDVVXYYEMCEGCE-IHPCNDPISA-N 1 2 347.466 3.853 20 0 EHADLO CC(=O)c1cccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)c1 ZINC000192192417 1036488650 /nfs/dbraw/zinc/48/86/50/1036488650.db2.gz DBRWMKRHMHEIGY-UHFFFAOYSA-N 1 2 334.375 3.763 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC001168175735 1036493308 /nfs/dbraw/zinc/49/33/08/1036493308.db2.gz QLERTSQQAPNYJI-SFHVURJKSA-N 1 2 349.858 3.892 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC001168175735 1036493322 /nfs/dbraw/zinc/49/33/22/1036493322.db2.gz QLERTSQQAPNYJI-SFHVURJKSA-N 1 2 349.858 3.892 20 0 EHADLO Cc1cccnc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000572886235 1036527278 /nfs/dbraw/zinc/52/72/78/1036527278.db2.gz GGNMQOBTYMGHBC-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CC[C@H]1CN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C[C@@H]1O ZINC000535510325 1036573026 /nfs/dbraw/zinc/57/30/26/1036573026.db2.gz JXWKYNGVSJNUPC-FZMZJTMJSA-N 1 2 340.345 3.649 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(Br)cs2)sn1 ZINC000404172588 1036664189 /nfs/dbraw/zinc/66/41/89/1036664189.db2.gz FLXKOSMKQVNOHR-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(Br)cs2)sn1 ZINC000404172588 1036664197 /nfs/dbraw/zinc/66/41/97/1036664197.db2.gz FLXKOSMKQVNOHR-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1(C)C ZINC000414328373 1036696534 /nfs/dbraw/zinc/69/65/34/1036696534.db2.gz GYIPUXWHILXLPO-MJBXVCDLSA-N 1 2 334.489 3.527 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742684 1036715443 /nfs/dbraw/zinc/71/54/43/1036715443.db2.gz XNRAQJKULDUXPE-FZKQIMNGSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742684 1036715461 /nfs/dbraw/zinc/71/54/61/1036715461.db2.gz XNRAQJKULDUXPE-FZKQIMNGSA-N 1 2 330.378 3.986 20 0 EHADLO CC(C)(C)c1csc(C2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)n1 ZINC000493110229 1036716718 /nfs/dbraw/zinc/71/67/18/1036716718.db2.gz ZKFOWALHBIKUHB-SNAWJCMRSA-N 1 2 344.484 3.583 20 0 EHADLO c1ccc(OC[C@@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000541873409 1036745032 /nfs/dbraw/zinc/74/50/32/1036745032.db2.gz DXVQOELHTVFZAD-MRXNPFEDSA-N 1 2 335.407 3.638 20 0 EHADLO c1ccc(OC[C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000541873409 1036745050 /nfs/dbraw/zinc/74/50/50/1036745050.db2.gz DXVQOELHTVFZAD-MRXNPFEDSA-N 1 2 335.407 3.638 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772367 1036761232 /nfs/dbraw/zinc/76/12/32/1036761232.db2.gz MNSLMMIWRUARDO-XHDPSFHLSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772367 1036761245 /nfs/dbraw/zinc/76/12/45/1036761245.db2.gz MNSLMMIWRUARDO-XHDPSFHLSA-N 1 2 344.883 3.880 20 0 EHADLO CSCc1cnc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)s1 ZINC000590184454 1036790206 /nfs/dbraw/zinc/79/02/06/1036790206.db2.gz QTXCYZHYKAGUSD-INIZCTEOSA-N 1 2 344.509 3.734 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H](C2CCC2)C1 ZINC000666333460 1036847321 /nfs/dbraw/zinc/84/73/21/1036847321.db2.gz ZNUHZOYUPJJYOK-HNNXBMFYSA-N 1 2 348.516 3.783 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)s1 ZINC000590349658 1036848470 /nfs/dbraw/zinc/84/84/70/1036848470.db2.gz SYYPOWKDAJAKJK-MRXNPFEDSA-N 1 2 334.510 3.970 20 0 EHADLO CSCc1cnc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)s1 ZINC000590349658 1036848485 /nfs/dbraw/zinc/84/84/85/1036848485.db2.gz SYYPOWKDAJAKJK-MRXNPFEDSA-N 1 2 334.510 3.970 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC)c3)c2C1 ZINC000541933622 1036856643 /nfs/dbraw/zinc/85/66/43/1036856643.db2.gz WMXKBYJPQLJRIT-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC)c3)c2C1 ZINC000541933622 1036856670 /nfs/dbraw/zinc/85/66/70/1036856670.db2.gz WMXKBYJPQLJRIT-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1csc2c1CCCC2 ZINC000104002726 1036963648 /nfs/dbraw/zinc/96/36/48/1036963648.db2.gz RQAORZKBDCRYQZ-UHFFFAOYSA-N 1 2 329.469 3.644 20 0 EHADLO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H](CO)c1ccccc1 ZINC000590622555 1036975888 /nfs/dbraw/zinc/97/58/88/1036975888.db2.gz NHIWJVNJFSTMEV-QGZVFWFLSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H](CO)c1ccccc1 ZINC000590622555 1036975911 /nfs/dbraw/zinc/97/59/11/1036975911.db2.gz NHIWJVNJFSTMEV-QGZVFWFLSA-N 1 2 326.371 3.646 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000590604187 1036981799 /nfs/dbraw/zinc/98/17/99/1036981799.db2.gz BCPQMRXSIJEODZ-UHFFFAOYSA-N 1 2 335.473 3.675 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000590604187 1036981814 /nfs/dbraw/zinc/98/18/14/1036981814.db2.gz BCPQMRXSIJEODZ-UHFFFAOYSA-N 1 2 335.473 3.675 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)sc2nccc(C)c12 ZINC000590730133 1037031935 /nfs/dbraw/zinc/03/19/35/1037031935.db2.gz SHWSOERXNXIHQQ-CQSZACIVSA-N 1 2 340.452 3.587 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729491 1037032292 /nfs/dbraw/zinc/03/22/92/1037032292.db2.gz DDZDIJIYZRAATG-AWEZNQCLSA-N 1 2 349.887 3.882 20 0 EHADLO COC(=O)c1cccc(C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000053138358 1037046505 /nfs/dbraw/zinc/04/65/05/1037046505.db2.gz YZRYSTDLBBHHOF-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2c(C)cccn12 ZINC000539670075 1037059508 /nfs/dbraw/zinc/05/95/08/1037059508.db2.gz CLQMKOVSJYIUBQ-HNNXBMFYSA-N 1 2 331.460 3.585 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000590848423 1037082930 /nfs/dbraw/zinc/08/29/30/1037082930.db2.gz LLHHIASEHWMWHT-MOPGFXCFSA-N 1 2 338.455 3.689 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000590853770 1037100128 /nfs/dbraw/zinc/10/01/28/1037100128.db2.gz AFBDANOZOOFPPY-ZFWWWQNUSA-N 1 2 332.473 3.669 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC ZINC000666471882 1037102528 /nfs/dbraw/zinc/10/25/28/1037102528.db2.gz SQGNCASYUBVPMG-LBPRGKRZSA-N 1 2 347.484 3.891 20 0 EHADLO C[C@H](COc1ccccc1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000761529490 1037104025 /nfs/dbraw/zinc/10/40/25/1037104025.db2.gz JIHDNZIVVMGPLO-MRXNPFEDSA-N 1 2 336.391 3.631 20 0 EHADLO CCCCC1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590861751 1037105926 /nfs/dbraw/zinc/10/59/26/1037105926.db2.gz OONHTUUTECZJLO-DAWZGUTISA-N 1 2 332.492 3.979 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590862658 1037106490 /nfs/dbraw/zinc/10/64/90/1037106490.db2.gz DQOQLJUQLUCGQD-SFHVURJKSA-N 1 2 334.423 3.583 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105003194 1037124385 /nfs/dbraw/zinc/12/43/85/1037124385.db2.gz QHSHQTQVBISSLQ-UHFFFAOYSA-N 1 2 342.443 3.883 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccncc1OCC(F)(F)F ZINC000542165014 1037126439 /nfs/dbraw/zinc/12/64/39/1037126439.db2.gz IBCARCXHQZMZAC-UHFFFAOYSA-N 1 2 347.340 3.913 20 0 EHADLO c1cn(Cc2ccccc2)nc1C[NH2+]Cc1nccc2ccccc21 ZINC000671194731 1037178366 /nfs/dbraw/zinc/17/83/66/1037178366.db2.gz AWAWWSIVLXQHHA-UHFFFAOYSA-N 1 2 328.419 3.769 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000493259387 1037180730 /nfs/dbraw/zinc/18/07/30/1037180730.db2.gz RGUZKJMAWNXSKH-KTKRTIGZSA-N 1 2 327.403 3.576 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)[C@@H](C)C2 ZINC000539813218 1037230603 /nfs/dbraw/zinc/23/06/03/1037230603.db2.gz ALLGZCBNXNLNHZ-DJJJIMSYSA-N 1 2 336.414 3.942 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)[C@@H](C)C2 ZINC000539813218 1037230608 /nfs/dbraw/zinc/23/06/08/1037230608.db2.gz ALLGZCBNXNLNHZ-DJJJIMSYSA-N 1 2 336.414 3.942 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCO[C@@H](C)CC(C)C)c1C ZINC000087219589 1037233968 /nfs/dbraw/zinc/23/39/68/1037233968.db2.gz JDBQFDBIHVNVTH-HNNXBMFYSA-N 1 2 336.476 3.507 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831471 1037258574 /nfs/dbraw/zinc/25/85/74/1037258574.db2.gz GYHOWLVZMYPNMY-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831471 1037258588 /nfs/dbraw/zinc/25/85/88/1037258588.db2.gz GYHOWLVZMYPNMY-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1cc(C)cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591249483 1037268126 /nfs/dbraw/zinc/26/81/26/1037268126.db2.gz RQMIFXXKACEOCB-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000106136665 1037304735 /nfs/dbraw/zinc/30/47/35/1037304735.db2.gz YZHCYAGZCUJGBU-KBPBESRZSA-N 1 2 348.878 3.725 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)CC1=Cc2ccccc2OC1 ZINC000573100529 1037305243 /nfs/dbraw/zinc/30/52/43/1037305243.db2.gz DWURHGOIUSOVTI-UHFFFAOYSA-N 1 2 339.420 3.706 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)CC1=Cc2ccccc2OC1 ZINC000573100529 1037305252 /nfs/dbraw/zinc/30/52/52/1037305252.db2.gz DWURHGOIUSOVTI-UHFFFAOYSA-N 1 2 339.420 3.706 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532452827 1037315488 /nfs/dbraw/zinc/31/54/88/1037315488.db2.gz DWPFFGIECFAIIC-FOIQADDNSA-N 1 2 333.435 3.891 20 0 EHADLO COCc1cccc(OCC2(C[N@H+](CC(F)F)C(C)C)CC2)c1 ZINC000539882355 1037319588 /nfs/dbraw/zinc/31/95/88/1037319588.db2.gz NUKJDHHNKKYCLN-UHFFFAOYSA-N 1 2 327.415 3.968 20 0 EHADLO COCc1cccc(OCC2(C[N@@H+](CC(F)F)C(C)C)CC2)c1 ZINC000539882355 1037319607 /nfs/dbraw/zinc/31/96/07/1037319607.db2.gz NUKJDHHNKKYCLN-UHFFFAOYSA-N 1 2 327.415 3.968 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3nccs3)CC2)cc1 ZINC000042738490 1037349784 /nfs/dbraw/zinc/34/97/84/1037349784.db2.gz BKDNUTGMQDWZNX-UHFFFAOYSA-N 1 2 344.484 3.616 20 0 EHADLO CCc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043333693 1037355567 /nfs/dbraw/zinc/35/55/67/1037355567.db2.gz GNZNXKJNRSYQNK-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2ccncc2)CC1 ZINC000177095918 1037367697 /nfs/dbraw/zinc/36/76/97/1037367697.db2.gz HSSWMPFWGBXDJR-UHFFFAOYSA-N 1 2 346.434 3.599 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2ccncc2)CC1 ZINC000177095918 1037367713 /nfs/dbraw/zinc/36/77/13/1037367713.db2.gz HSSWMPFWGBXDJR-UHFFFAOYSA-N 1 2 346.434 3.599 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(N4CCCC4)cc3C)ccn12 ZINC000573335781 1037472471 /nfs/dbraw/zinc/47/24/71/1037472471.db2.gz AJZMEOSNVWRMJL-UHFFFAOYSA-N 1 2 334.423 3.804 20 0 EHADLO CC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000591585933 1037519835 /nfs/dbraw/zinc/51/98/35/1037519835.db2.gz CEPHIMKSGSJVBL-KRWDZBQOSA-N 1 2 332.492 3.932 20 0 EHADLO CN(C)c1ncc(C[N@H+](C)Cc2ccccc2Br)s1 ZINC000505664359 1037520523 /nfs/dbraw/zinc/52/05/23/1037520523.db2.gz RRRBTACEUBEMAA-UHFFFAOYSA-N 1 2 340.290 3.604 20 0 EHADLO CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2Br)s1 ZINC000505664359 1037520534 /nfs/dbraw/zinc/52/05/34/1037520534.db2.gz RRRBTACEUBEMAA-UHFFFAOYSA-N 1 2 340.290 3.604 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227518 1037627032 /nfs/dbraw/zinc/62/70/32/1037627032.db2.gz PEIRVTGTDWKMQL-UHFFFAOYSA-N 1 2 341.407 3.649 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027227518 1037627038 /nfs/dbraw/zinc/62/70/38/1037627038.db2.gz PEIRVTGTDWKMQL-UHFFFAOYSA-N 1 2 341.407 3.649 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000025414860 1037640494 /nfs/dbraw/zinc/64/04/94/1037640494.db2.gz WPIGIBGQVOZWAQ-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000025414860 1037640508 /nfs/dbraw/zinc/64/05/08/1037640508.db2.gz WPIGIBGQVOZWAQ-SFHVURJKSA-N 1 2 346.377 3.749 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2sccc2C1 ZINC000025438153 1037656297 /nfs/dbraw/zinc/65/62/97/1037656297.db2.gz AJNFVLPOYFSBES-AWEZNQCLSA-N 1 2 333.457 3.600 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2sccc2C1 ZINC000025438153 1037656313 /nfs/dbraw/zinc/65/63/13/1037656313.db2.gz AJNFVLPOYFSBES-AWEZNQCLSA-N 1 2 333.457 3.600 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)s1 ZINC000314577723 1037659854 /nfs/dbraw/zinc/65/98/54/1037659854.db2.gz FUWTXVZKHUUOSZ-QMMMGPOBSA-N 1 2 328.796 3.573 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccc(C2CC2)cc1 ZINC000493862131 1037681892 /nfs/dbraw/zinc/68/18/92/1037681892.db2.gz YRHQLRDMVPHLBD-KPKJPENVSA-N 1 2 335.451 3.769 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000463032730 1037692236 /nfs/dbraw/zinc/69/22/36/1037692236.db2.gz JNUFWCAPIUBTCD-IBGZPJMESA-N 1 2 329.415 3.730 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000463032730 1037692243 /nfs/dbraw/zinc/69/22/43/1037692243.db2.gz JNUFWCAPIUBTCD-IBGZPJMESA-N 1 2 329.415 3.730 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)NCCCCn1cc[nH+]c1 ZINC000491829468 1037697700 /nfs/dbraw/zinc/69/77/00/1037697700.db2.gz ZZEXZPCZSMYISW-SREVYHEPSA-N 1 2 337.345 3.512 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1)n1cc[nH+]c1 ZINC000573687940 1037745264 /nfs/dbraw/zinc/74/52/64/1037745264.db2.gz GCSGQCKAGVDUIA-SNVBAGLBSA-N 1 2 338.289 3.635 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030649272 1037758275 /nfs/dbraw/zinc/75/82/75/1037758275.db2.gz RFJJUVDIAJYGFX-OAHLLOKOSA-N 1 2 335.407 3.714 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000494096368 1037818558 /nfs/dbraw/zinc/81/85/58/1037818558.db2.gz JRKWPRDAFLLRIY-JJESMAFASA-N 1 2 348.437 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000494096368 1037818577 /nfs/dbraw/zinc/81/85/77/1037818577.db2.gz JRKWPRDAFLLRIY-JJESMAFASA-N 1 2 348.437 3.653 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)nc1 ZINC000540324459 1037819310 /nfs/dbraw/zinc/81/93/10/1037819310.db2.gz RFUFYHPVSJPTGI-INIZCTEOSA-N 1 2 334.423 3.610 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074891 1037842204 /nfs/dbraw/zinc/84/22/04/1037842204.db2.gz JQCZPVSLACPLFH-MRXNPFEDSA-N 1 2 347.846 3.627 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074891 1037842228 /nfs/dbraw/zinc/84/22/28/1037842228.db2.gz JQCZPVSLACPLFH-MRXNPFEDSA-N 1 2 347.846 3.627 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942740 1037848414 /nfs/dbraw/zinc/84/84/14/1037848414.db2.gz OYMGXPOQPHFESY-UWJYYQICSA-N 1 2 340.442 3.777 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942740 1037848436 /nfs/dbraw/zinc/84/84/36/1037848436.db2.gz OYMGXPOQPHFESY-UWJYYQICSA-N 1 2 340.442 3.777 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000592157947 1037858928 /nfs/dbraw/zinc/85/89/28/1037858928.db2.gz SOESYDJLBYIYLS-UHFFFAOYSA-N 1 2 336.476 3.916 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+]C(C)(C)c3cccc(F)c3)o2)cc1 ZINC000540415287 1037914093 /nfs/dbraw/zinc/91/40/93/1037914093.db2.gz MXPGYXWTNYHWBZ-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CC(C)C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000378107312 1037919557 /nfs/dbraw/zinc/91/95/57/1037919557.db2.gz JRNLHSUMKOZXEZ-QGZVFWFLSA-N 1 2 346.862 3.849 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccc(C)cc2)c1C ZINC000058466607 1037948812 /nfs/dbraw/zinc/94/88/12/1037948812.db2.gz ONUOMEKLZAPIDK-UHFFFAOYSA-N 1 2 329.469 3.844 20 0 EHADLO Cn1nc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)c2ccccc21 ZINC000592456634 1037991183 /nfs/dbraw/zinc/99/11/83/1037991183.db2.gz NDWDTIQTRGKTSK-NRFANRHFSA-N 1 2 346.409 3.987 20 0 EHADLO CCC1(CC)[C@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C[C@H]1OC ZINC000540591037 1038119062 /nfs/dbraw/zinc/11/90/62/1038119062.db2.gz DKKCSBUNHXPPBD-DJIMGWMZSA-N 1 2 343.471 3.905 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1csc(-c2ccccn2)n1 ZINC000124287366 1038163000 /nfs/dbraw/zinc/16/30/00/1038163000.db2.gz CJHJBLZVDPJWMC-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1csc(-c2ccccn2)n1 ZINC000124287366 1038163013 /nfs/dbraw/zinc/16/30/13/1038163013.db2.gz CJHJBLZVDPJWMC-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124770152 1038234490 /nfs/dbraw/zinc/23/44/90/1038234490.db2.gz INRYQPKXSPTWTJ-JFIYKMOQSA-N 1 2 343.496 3.782 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCCc2ccccc2)s1 ZINC000106875673 1038238159 /nfs/dbraw/zinc/23/81/59/1038238159.db2.gz NBDFNMWCIPBCQR-HNNXBMFYSA-N 1 2 345.512 3.502 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCCc2ccccc2)s1 ZINC000106875673 1038238181 /nfs/dbraw/zinc/23/81/81/1038238181.db2.gz NBDFNMWCIPBCQR-HNNXBMFYSA-N 1 2 345.512 3.502 20 0 EHADLO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124927470 1038254630 /nfs/dbraw/zinc/25/46/30/1038254630.db2.gz PBXRNIWJZHEZJR-WMZOPIPTSA-N 1 2 344.503 3.661 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124927204 1038255505 /nfs/dbraw/zinc/25/55/05/1038255505.db2.gz PBXRNIWJZHEZJR-AEFFLSMTSA-N 1 2 344.503 3.661 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccccc1 ZINC000538613051 1038422995 /nfs/dbraw/zinc/42/29/95/1038422995.db2.gz HCSRNQSDTLVZFB-GOSISDBHSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3ccccc3)C2)c(C)[nH+]1 ZINC000667118899 1038448083 /nfs/dbraw/zinc/44/80/83/1038448083.db2.gz AVHLOYMBRQVVBY-QGZVFWFLSA-N 1 2 325.412 3.692 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c(C)[nH+]1 ZINC000667119201 1038457549 /nfs/dbraw/zinc/45/75/49/1038457549.db2.gz LPOYARXOTOAHRR-GOSISDBHSA-N 1 2 338.455 3.749 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3c4ccccc4CC[C@H]3C)[nH+]c12 ZINC000538696194 1038472423 /nfs/dbraw/zinc/47/24/23/1038472423.db2.gz KTYFQHZPCHNFIQ-VLIAUNLRSA-N 1 2 333.435 3.625 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(c3nccc(C)n3)CC2)cs1 ZINC000363804915 1038490658 /nfs/dbraw/zinc/49/06/58/1038490658.db2.gz WPRHVFIPOBEETJ-UHFFFAOYSA-N 1 2 330.501 3.964 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732693 1038496962 /nfs/dbraw/zinc/49/69/62/1038496962.db2.gz IZZHSQDCGFHLHP-PWSUYJOCSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732693 1038496968 /nfs/dbraw/zinc/49/69/68/1038496968.db2.gz IZZHSQDCGFHLHP-PWSUYJOCSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2=O)cs1 ZINC000343853687 1038508776 /nfs/dbraw/zinc/50/87/76/1038508776.db2.gz LCQQRPJCNHKBJI-SWLSCSKDSA-N 1 2 347.459 3.745 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000538812786 1038548406 /nfs/dbraw/zinc/54/84/06/1038548406.db2.gz GMNNBFJTIWMFHW-UHFFFAOYSA-N 1 2 337.379 3.542 20 0 EHADLO FC(F)(F)[C@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@@H]1C(F)(F)F ZINC000659969139 1038551394 /nfs/dbraw/zinc/55/13/94/1038551394.db2.gz FXAQRYXUMNRPNM-UWVGGRQHSA-N 1 2 328.256 3.725 20 0 EHADLO CC(C)(C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1)c1ccccc1 ZINC000378439800 1038626545 /nfs/dbraw/zinc/62/65/45/1038626545.db2.gz VDSVBPKBAIQMEK-UHFFFAOYSA-N 1 2 346.478 3.662 20 0 EHADLO CC(C)(C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1)c1ccccc1 ZINC000378439800 1038626550 /nfs/dbraw/zinc/62/65/50/1038626550.db2.gz VDSVBPKBAIQMEK-UHFFFAOYSA-N 1 2 346.478 3.662 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651381273 1038649455 /nfs/dbraw/zinc/64/94/55/1038649455.db2.gz WBGOMPIPICAONB-SFHVURJKSA-N 1 2 339.483 3.680 20 0 EHADLO C[N@H+](CCSc1cccc(Cl)c1)Cc1nnc2ccccn21 ZINC000659999879 1038659625 /nfs/dbraw/zinc/65/96/25/1038659625.db2.gz YKDKQUAOWTYUBI-UHFFFAOYSA-N 1 2 332.860 3.607 20 0 EHADLO C[N@@H+](CCSc1cccc(Cl)c1)Cc1nnc2ccccn21 ZINC000659999879 1038659637 /nfs/dbraw/zinc/65/96/37/1038659637.db2.gz YKDKQUAOWTYUBI-UHFFFAOYSA-N 1 2 332.860 3.607 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccsc2)O1 ZINC000660004132 1038678822 /nfs/dbraw/zinc/67/88/22/1038678822.db2.gz XSDQZWKXFJWHNN-UGSOOPFHSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccsc2)O1 ZINC000660004132 1038678826 /nfs/dbraw/zinc/67/88/26/1038678826.db2.gz XSDQZWKXFJWHNN-UGSOOPFHSA-N 1 2 325.437 3.653 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3cccc(SC)c3)CCO2)c1 ZINC000660015971 1038707068 /nfs/dbraw/zinc/70/70/68/1038707068.db2.gz WAHDZIZPAVBBSV-LJQANCHMSA-N 1 2 329.465 3.991 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3cccc(SC)c3)CCO2)c1 ZINC000660015971 1038707076 /nfs/dbraw/zinc/70/70/76/1038707076.db2.gz WAHDZIZPAVBBSV-LJQANCHMSA-N 1 2 329.465 3.991 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000539225204 1038738579 /nfs/dbraw/zinc/73/85/79/1038738579.db2.gz GQIDKDHGDLZRJA-CHWSQXEVSA-N 1 2 348.393 3.960 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F)c1ccc(F)cc1 ZINC000539227535 1038740619 /nfs/dbraw/zinc/74/06/19/1038740619.db2.gz UKPXJFYYLUWEBO-VXGBXAGGSA-N 1 2 336.357 3.632 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)C3)o2)cc1 ZINC000462075229 1038747914 /nfs/dbraw/zinc/74/79/14/1038747914.db2.gz RBXHTNROQQNADT-GOSISDBHSA-N 1 2 347.480 3.518 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](S(C)(=O)=O)C3)o2)cc1 ZINC000462075229 1038747925 /nfs/dbraw/zinc/74/79/25/1038747925.db2.gz RBXHTNROQQNADT-GOSISDBHSA-N 1 2 347.480 3.518 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000539262964 1038756049 /nfs/dbraw/zinc/75/60/49/1038756049.db2.gz QRPQVSCWYQRYBV-UHFFFAOYSA-N 1 2 327.409 3.586 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651393046 1038762810 /nfs/dbraw/zinc/76/28/10/1038762810.db2.gz JFHWXGXSRRVSOV-LJQANCHMSA-N 1 2 339.483 3.550 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000553987416 1038783766 /nfs/dbraw/zinc/78/37/66/1038783766.db2.gz OJQHQURZNIRHLD-KRWDZBQOSA-N 1 2 348.393 3.995 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000553987416 1038783778 /nfs/dbraw/zinc/78/37/78/1038783778.db2.gz OJQHQURZNIRHLD-KRWDZBQOSA-N 1 2 348.393 3.995 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000485227143 1038786947 /nfs/dbraw/zinc/78/69/47/1038786947.db2.gz ZOTYZQYJWKFDEW-RTBURBONSA-N 1 2 325.456 3.876 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C(=O)OC(C)(C)C ZINC000582060423 1038804148 /nfs/dbraw/zinc/80/41/48/1038804148.db2.gz IEKXGQCAITZIHQ-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C(=O)OC(C)(C)C ZINC000582060423 1038804177 /nfs/dbraw/zinc/80/41/77/1038804177.db2.gz IEKXGQCAITZIHQ-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000378651332 1038825712 /nfs/dbraw/zinc/82/57/12/1038825712.db2.gz YLPSBEYBOVTWMJ-GFCCVEGCSA-N 1 2 325.334 3.640 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000378651332 1038825732 /nfs/dbraw/zinc/82/57/32/1038825732.db2.gz YLPSBEYBOVTWMJ-GFCCVEGCSA-N 1 2 325.334 3.640 20 0 EHADLO CCCC1(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000462210154 1038842267 /nfs/dbraw/zinc/84/22/67/1038842267.db2.gz KNTUXCCNPPSCER-HNNXBMFYSA-N 1 2 335.517 3.717 20 0 EHADLO Cc1nc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)co1 ZINC000660064449 1038871707 /nfs/dbraw/zinc/87/17/07/1038871707.db2.gz GYOIGCNOTGAVIH-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO Cc1nc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)co1 ZINC000660064449 1038871736 /nfs/dbraw/zinc/87/17/36/1038871736.db2.gz GYOIGCNOTGAVIH-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000668821953 1038872772 /nfs/dbraw/zinc/87/27/72/1038872772.db2.gz OEEBDINWZVOPKQ-ACJLOTCBSA-N 1 2 341.446 3.712 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000668821953 1038872793 /nfs/dbraw/zinc/87/27/93/1038872793.db2.gz OEEBDINWZVOPKQ-ACJLOTCBSA-N 1 2 341.446 3.712 20 0 EHADLO COC1(c2ccccc2)C[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000485290512 1038875236 /nfs/dbraw/zinc/87/52/36/1038875236.db2.gz MHBLWCMSXLBHHJ-UHFFFAOYSA-N 1 2 339.435 3.689 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3nnc(C4CCC(F)(F)CC4)o3)n2c1 ZINC000905427178 1038889393 /nfs/dbraw/zinc/88/93/93/1038889393.db2.gz VTDCRJVXZZANMK-UHFFFAOYSA-N 1 2 347.369 3.931 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2[C@H]3CCCCCC[C@H]23)c1C ZINC000667576028 1038889445 /nfs/dbraw/zinc/88/94/45/1038889445.db2.gz AXTARQXULXMTSU-HOTGVXAUSA-N 1 2 330.472 3.882 20 0 EHADLO c1[nH]nc(-c2cccnc2)c1CNc1[nH+]c2ccccc2n1CC1CC1 ZINC000905430039 1038893576 /nfs/dbraw/zinc/89/35/76/1038893576.db2.gz OQYUJHOQJYGLAF-UHFFFAOYSA-N 1 2 344.422 3.844 20 0 EHADLO Cn1ccc([C@H]([NH2+]CCOC2CCCCC2)c2ccc(F)cc2)n1 ZINC000539397367 1038899821 /nfs/dbraw/zinc/89/98/21/1038899821.db2.gz LEWSRILAZSOBBH-LJQANCHMSA-N 1 2 331.435 3.588 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cc(F)cc2C)c1C ZINC000667577686 1038906014 /nfs/dbraw/zinc/90/60/14/1038906014.db2.gz VQFHUVKVOCIFAB-UHFFFAOYSA-N 1 2 330.403 3.735 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668826067 1038907213 /nfs/dbraw/zinc/90/72/13/1038907213.db2.gz UHLCUTQPZCPYQR-LJQANCHMSA-N 1 2 348.393 3.613 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668826067 1038907227 /nfs/dbraw/zinc/90/72/27/1038907227.db2.gz UHLCUTQPZCPYQR-LJQANCHMSA-N 1 2 348.393 3.613 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cnn(C)c3Cl)[nH+]c2)c1 ZINC001203143756 1038908717 /nfs/dbraw/zinc/90/87/17/1038908717.db2.gz DNVMXLNSPNPRKO-UHFFFAOYSA-N 1 2 343.818 3.833 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)[nH]1 ZINC000893268738 1038909926 /nfs/dbraw/zinc/90/99/26/1038909926.db2.gz YPPXRVOAKIRSIT-MRVPVSSYSA-N 1 2 343.656 3.634 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)s2)c1 ZINC000554110124 1038914222 /nfs/dbraw/zinc/91/42/22/1038914222.db2.gz PTEYRVOWPIHCRM-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1c(F)cccc1F ZINC000582075501 1038914327 /nfs/dbraw/zinc/91/43/27/1038914327.db2.gz BFHHOWKFWFUSHG-HNNXBMFYSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1c(F)cccc1F ZINC000582075501 1038914343 /nfs/dbraw/zinc/91/43/43/1038914343.db2.gz BFHHOWKFWFUSHG-HNNXBMFYSA-N 1 2 348.368 3.750 20 0 EHADLO FC(F)(F)COc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000097393976 1038971231 /nfs/dbraw/zinc/97/12/31/1038971231.db2.gz DYZSAWVCFITHCD-UHFFFAOYSA-N 1 2 348.328 3.821 20 0 EHADLO CCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000500566301 1038996197 /nfs/dbraw/zinc/99/61/97/1038996197.db2.gz OYEVMUSKWDUDES-KRWDZBQOSA-N 1 2 332.488 3.556 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000488252464 1039006945 /nfs/dbraw/zinc/00/69/45/1039006945.db2.gz OIDYGGIOCAGBLZ-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000488252464 1039006961 /nfs/dbraw/zinc/00/69/61/1039006961.db2.gz OIDYGGIOCAGBLZ-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000645785631 1039025859 /nfs/dbraw/zinc/02/58/59/1039025859.db2.gz MCQCKUPGCQMAIR-IRXDYDNUSA-N 1 2 330.476 3.658 20 0 EHADLO COc1cccc(SCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000112865952 1039036888 /nfs/dbraw/zinc/03/68/88/1039036888.db2.gz PYSUHLPKAICNOD-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1O ZINC000195623297 1039055206 /nfs/dbraw/zinc/05/52/06/1039055206.db2.gz RRYNWWNXQHAYSC-UHFFFAOYSA-N 1 2 333.391 3.844 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2n[nH]cc2c1 ZINC000554258033 1039117021 /nfs/dbraw/zinc/11/70/21/1039117021.db2.gz XLDCEKLODVADPH-UWVGGRQHSA-N 1 2 346.232 3.527 20 0 EHADLO CCCn1c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)nc2ccccc21 ZINC000668844448 1039119417 /nfs/dbraw/zinc/11/94/17/1039119417.db2.gz KXIAJYUTZKAUTG-UHFFFAOYSA-N 1 2 337.471 3.754 20 0 EHADLO CCCn1c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)nc2ccccc21 ZINC000668844448 1039119423 /nfs/dbraw/zinc/11/94/23/1039119423.db2.gz KXIAJYUTZKAUTG-UHFFFAOYSA-N 1 2 337.471 3.754 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667276037 1039120381 /nfs/dbraw/zinc/12/03/81/1039120381.db2.gz WGCBNXZLWBPBSP-MAUKXSAKSA-N 1 2 338.455 3.685 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898498640 1039147980 /nfs/dbraw/zinc/14/79/80/1039147980.db2.gz KMWJBVCIOYEAAN-ZDUSSCGKSA-N 1 2 344.883 3.616 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898498640 1039147982 /nfs/dbraw/zinc/14/79/82/1039147982.db2.gz KMWJBVCIOYEAAN-ZDUSSCGKSA-N 1 2 344.883 3.616 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1CCC(F)(F)CC1 ZINC000644887550 1039149763 /nfs/dbraw/zinc/14/97/63/1039149763.db2.gz AOIUNMNYUYUWPU-INIZCTEOSA-N 1 2 347.409 3.873 20 0 EHADLO CCc1nocc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614053865 1039171161 /nfs/dbraw/zinc/17/11/61/1039171161.db2.gz CFVAXYWFHSBPQB-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCc2ccccn2)[nH+]c1 ZINC000150896139 1039194209 /nfs/dbraw/zinc/19/42/09/1039194209.db2.gz SSFCMYSSKGUYOC-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]nc2-c2ccc(Cl)cc2)[nH+]c1 ZINC000150901181 1039199747 /nfs/dbraw/zinc/19/97/47/1039199747.db2.gz ZUBPYVMHZFUJSR-UHFFFAOYSA-N 1 2 327.819 3.803 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000488495539 1039213841 /nfs/dbraw/zinc/21/38/41/1039213841.db2.gz PMHDDGGSLQWUQZ-CQSZACIVSA-N 1 2 332.394 3.838 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000488495539 1039213855 /nfs/dbraw/zinc/21/38/55/1039213855.db2.gz PMHDDGGSLQWUQZ-CQSZACIVSA-N 1 2 332.394 3.838 20 0 EHADLO Cc1c(F)cccc1NC(=O)CCSc1[nH+]cc2ccccn21 ZINC000488509022 1039235070 /nfs/dbraw/zinc/23/50/70/1039235070.db2.gz UKWKUSFUSZFWQW-UHFFFAOYSA-N 1 2 329.400 3.903 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000898579741 1039286055 /nfs/dbraw/zinc/28/60/55/1039286055.db2.gz VOQLCBDMIPUGGP-UHFFFAOYSA-N 1 2 326.227 3.550 20 0 EHADLO OC[C@@]1(F)CN(c2[nH+]ccc3cc(F)ccc32)C[C@H]1c1ccccc1 ZINC000584588042 1039311980 /nfs/dbraw/zinc/31/19/80/1039311980.db2.gz NVWYIZBVTWPKTB-ICSRJNTNSA-N 1 2 340.373 3.678 20 0 EHADLO c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522730 1039338651 /nfs/dbraw/zinc/33/86/51/1039338651.db2.gz CFUCMJILICSVSQ-CQSZACIVSA-N 1 2 343.500 3.786 20 0 EHADLO c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522730 1039338666 /nfs/dbraw/zinc/33/86/66/1039338666.db2.gz CFUCMJILICSVSQ-CQSZACIVSA-N 1 2 343.500 3.786 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726103 1039346311 /nfs/dbraw/zinc/34/63/11/1039346311.db2.gz NEZKABSDWRMPQP-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726103 1039346329 /nfs/dbraw/zinc/34/63/29/1039346329.db2.gz NEZKABSDWRMPQP-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC000488749450 1039383444 /nfs/dbraw/zinc/38/34/44/1039383444.db2.gz RQTGQITULRCSOM-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1Cl ZINC000028695040 1039389566 /nfs/dbraw/zinc/38/95/66/1039389566.db2.gz URZFLNOJKPGQQN-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)ccc1Cl ZINC000668873949 1039389874 /nfs/dbraw/zinc/38/98/74/1039389874.db2.gz ANULKFCNKGHSQF-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)ccc1Cl ZINC000668873949 1039389886 /nfs/dbraw/zinc/38/98/86/1039389886.db2.gz ANULKFCNKGHSQF-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2ccc(Cl)cn2)C2CC2)c1 ZINC000554494701 1039405103 /nfs/dbraw/zinc/40/51/03/1039405103.db2.gz ICBJJYKWZWMXNX-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(Cl)cn2)C2CC2)c1 ZINC000554494701 1039405110 /nfs/dbraw/zinc/40/51/10/1039405110.db2.gz ICBJJYKWZWMXNX-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542429 1039459619 /nfs/dbraw/zinc/45/96/19/1039459619.db2.gz QMNZJAVVQBCBHU-RDJZCZTQSA-N 1 2 341.459 3.759 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000554556788 1039472433 /nfs/dbraw/zinc/47/24/33/1039472433.db2.gz XZCVOVLOCUOXOC-PBHICJAKSA-N 1 2 342.491 3.899 20 0 EHADLO CSCC1CCC([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000570283743 1039484277 /nfs/dbraw/zinc/48/42/77/1039484277.db2.gz QZBQNMVCSYZGKX-MWHAMWOXSA-N 1 2 334.464 3.545 20 0 EHADLO CSCC1CCC([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000570283743 1039484282 /nfs/dbraw/zinc/48/42/82/1039484282.db2.gz QZBQNMVCSYZGKX-MWHAMWOXSA-N 1 2 334.464 3.545 20 0 EHADLO Cc1ccc([C@@H]2COCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000408408713 1039486746 /nfs/dbraw/zinc/48/67/46/1039486746.db2.gz QDRHPYAXMJVTKJ-HNNXBMFYSA-N 1 2 329.400 3.514 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)oc1C ZINC000432861920 1039572129 /nfs/dbraw/zinc/57/21/29/1039572129.db2.gz XYAZPAZCFMIIJX-SECBINFHSA-N 1 2 341.329 3.985 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)oc1C ZINC000432861920 1039572139 /nfs/dbraw/zinc/57/21/39/1039572139.db2.gz XYAZPAZCFMIIJX-SECBINFHSA-N 1 2 341.329 3.985 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000419192601 1039577180 /nfs/dbraw/zinc/57/71/80/1039577180.db2.gz PLBGBGTTWGZVQG-SJLPKXTDSA-N 1 2 341.476 3.640 20 0 EHADLO Cc1sc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1C(C)C ZINC000667365358 1039583613 /nfs/dbraw/zinc/58/36/13/1039583613.db2.gz FYWXXXMXJXRVIK-CQSZACIVSA-N 1 2 346.456 3.655 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000906559797 1039627638 /nfs/dbraw/zinc/62/76/38/1039627638.db2.gz PWPRAFXTFPZDQL-QGZVFWFLSA-N 1 2 346.434 3.786 20 0 EHADLO Fc1cc(F)c2c(c1)C[N@@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000667686162 1039628858 /nfs/dbraw/zinc/62/88/58/1039628858.db2.gz WUVWIGJQDCXKFA-GOSISDBHSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1cc(F)c2c(c1)C[N@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000667686162 1039628866 /nfs/dbraw/zinc/62/88/66/1039628866.db2.gz WUVWIGJQDCXKFA-GOSISDBHSA-N 1 2 345.389 3.691 20 0 EHADLO CC(C)(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000067067598 1039635147 /nfs/dbraw/zinc/63/51/47/1039635147.db2.gz VBVAGSJFQCNWIZ-UHFFFAOYSA-N 1 2 333.435 3.856 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000906541192 1039635310 /nfs/dbraw/zinc/63/53/10/1039635310.db2.gz OBKIJMFTZBYPJV-INIZCTEOSA-N 1 2 346.434 3.855 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC2(CCC2)[C@H]1c1cccnc1)n1cc[nH+]c1 ZINC000912036388 1039639028 /nfs/dbraw/zinc/63/90/28/1039639028.db2.gz JQAUGCXBIJOAAL-ZWKOTPCHSA-N 1 2 338.455 3.619 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906591982 1039647750 /nfs/dbraw/zinc/64/77/50/1039647750.db2.gz NTZLIAXYTFBMGD-KBRIMQKVSA-N 1 2 347.434 3.930 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906591982 1039647758 /nfs/dbraw/zinc/64/77/58/1039647758.db2.gz NTZLIAXYTFBMGD-KBRIMQKVSA-N 1 2 347.434 3.930 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485874002 1039652613 /nfs/dbraw/zinc/65/26/13/1039652613.db2.gz VXMJGFCZSVMBPV-GOSISDBHSA-N 1 2 335.513 3.815 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485874002 1039652619 /nfs/dbraw/zinc/65/26/19/1039652619.db2.gz VXMJGFCZSVMBPV-GOSISDBHSA-N 1 2 335.513 3.815 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C)o1 ZINC000660192266 1039695233 /nfs/dbraw/zinc/69/52/33/1039695233.db2.gz QYULOUNNIYNJJG-NSHDSACASA-N 1 2 328.391 3.775 20 0 EHADLO COc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000489196790 1039708800 /nfs/dbraw/zinc/70/88/00/1039708800.db2.gz OLINKWMOPBQFLH-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000489196790 1039708818 /nfs/dbraw/zinc/70/88/18/1039708818.db2.gz OLINKWMOPBQFLH-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000660199153 1039717293 /nfs/dbraw/zinc/71/72/93/1039717293.db2.gz CRFPSKOBWKENAQ-RYUDHWBXSA-N 1 2 332.423 3.707 20 0 EHADLO Cn1c(NCc2cnc(-c3ccco3)s2)[nH+]c2cccc(Cl)c21 ZINC000485970200 1039752459 /nfs/dbraw/zinc/75/24/59/1039752459.db2.gz YBFDJLRYZNPFBQ-UHFFFAOYSA-N 1 2 344.827 3.977 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C2CC2)CCC1 ZINC000906850470 1039779289 /nfs/dbraw/zinc/77/92/89/1039779289.db2.gz PWSFTVLRHOHQSE-UHFFFAOYSA-N 1 2 341.499 3.727 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nsc2ccccc12)c1nnc2ccccn21 ZINC000660209815 1039783671 /nfs/dbraw/zinc/78/36/71/1039783671.db2.gz YNNJBRQKPKQDTK-QGZVFWFLSA-N 1 2 337.452 3.826 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667412569 1039785173 /nfs/dbraw/zinc/78/51/73/1039785173.db2.gz MOEDZTILUNHZEA-SWLSCSKDSA-N 1 2 348.447 3.859 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc2ccc(Cl)nc2n1)n1cc[nH+]c1 ZINC000898992371 1039821771 /nfs/dbraw/zinc/82/17/71/1039821771.db2.gz VKQJAJBJECJTRY-CYBMUJFWSA-N 1 2 343.818 3.706 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000584788221 1039852819 /nfs/dbraw/zinc/85/28/19/1039852819.db2.gz FMRGCTOKQPGRHE-MKXGPGLRSA-N 1 2 335.451 3.725 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)nc3c2CCCC3)[nH]1 ZINC000894010315 1039950932 /nfs/dbraw/zinc/95/09/32/1039950932.db2.gz WYVNIFKDDYWTRN-JSGCOSHPSA-N 1 2 327.476 3.751 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CCC1(F)F ZINC000554946691 1039969684 /nfs/dbraw/zinc/96/96/84/1039969684.db2.gz WAIXPLVQFQQLLR-LLVKDONJSA-N 1 2 327.325 3.628 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CCC1(F)F ZINC000554946691 1039969699 /nfs/dbraw/zinc/96/96/99/1039969699.db2.gz WAIXPLVQFQQLLR-LLVKDONJSA-N 1 2 327.325 3.628 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000907278327 1039983076 /nfs/dbraw/zinc/98/30/76/1039983076.db2.gz VOBATNJNWAGFRT-UHFFFAOYSA-N 1 2 336.222 3.575 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)cc12 ZINC000894041385 1040002710 /nfs/dbraw/zinc/00/27/10/1040002710.db2.gz FHXADVGNCXKLRL-AUUYWEPGSA-N 1 2 337.423 3.802 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)cc12 ZINC000894041385 1040002724 /nfs/dbraw/zinc/00/27/24/1040002724.db2.gz FHXADVGNCXKLRL-AUUYWEPGSA-N 1 2 337.423 3.802 20 0 EHADLO CC(C)(C)Oc1c(F)cc(NC(=O)CNc2cccc[nH+]2)cc1F ZINC000907302327 1040003667 /nfs/dbraw/zinc/00/36/67/1040003667.db2.gz LTSNVLPYPGVNFF-UHFFFAOYSA-N 1 2 335.354 3.588 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC(C)(C)C1)C2 ZINC000570493163 1040036949 /nfs/dbraw/zinc/03/69/49/1040036949.db2.gz WAQIEUUWFRFOLX-LSDHHAIUSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC(C)(C)C1)CC2 ZINC000570493163 1040036966 /nfs/dbraw/zinc/03/69/66/1040036966.db2.gz WAQIEUUWFRFOLX-LSDHHAIUSA-N 1 2 331.504 3.971 20 0 EHADLO C[C@H](CC(=O)NC[C@H](Cc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000584842842 1040059567 /nfs/dbraw/zinc/05/95/67/1040059567.db2.gz HZTBDHZWXZXFNY-NQIIRXRSSA-N 1 2 347.462 3.977 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c[nH+]1 ZINC000899151595 1040090525 /nfs/dbraw/zinc/09/05/25/1040090525.db2.gz ATGUPNUEDFPRPQ-MRXNPFEDSA-N 1 2 331.847 3.774 20 0 EHADLO Cc1ccc2[nH]c(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)nc2c1 ZINC000553473783 1040093790 /nfs/dbraw/zinc/09/37/90/1040093790.db2.gz RGIINEAFJLMQSX-INIZCTEOSA-N 1 2 342.830 3.766 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)[nH]c2c1 ZINC000553473783 1040093807 /nfs/dbraw/zinc/09/38/07/1040093807.db2.gz RGIINEAFJLMQSX-INIZCTEOSA-N 1 2 342.830 3.766 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000899180465 1040114448 /nfs/dbraw/zinc/11/44/48/1040114448.db2.gz WOBMFJUWBZYQTM-RTWAWAEBSA-N 1 2 349.478 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000899180465 1040114457 /nfs/dbraw/zinc/11/44/57/1040114457.db2.gz WOBMFJUWBZYQTM-RTWAWAEBSA-N 1 2 349.478 3.658 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907778742 1040168690 /nfs/dbraw/zinc/16/86/90/1040168690.db2.gz ZGJQADMTKXGYGX-UHFFFAOYSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1coc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000907812218 1040181042 /nfs/dbraw/zinc/18/10/42/1040181042.db2.gz WBKNCCDCFYSZQQ-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1coc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000907812218 1040181051 /nfs/dbraw/zinc/18/10/51/1040181051.db2.gz WBKNCCDCFYSZQQ-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C3(Cc4ccccc4)CCOCC3)cc2[nH+]1 ZINC000448623694 1040188375 /nfs/dbraw/zinc/18/83/75/1040188375.db2.gz FHYSVHZGTKWOCN-UHFFFAOYSA-N 1 2 349.434 3.849 20 0 EHADLO Cc1cc(C)cc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000156701154 1040189677 /nfs/dbraw/zinc/18/96/77/1040189677.db2.gz DJXOACXANVNPSR-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO CCCCC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000893317824 1040191921 /nfs/dbraw/zinc/19/19/21/1040191921.db2.gz IHUYRMLDVXVESL-KRWDZBQOSA-N 1 2 340.471 3.726 20 0 EHADLO Cn1cc(Br)c(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000432927367 1040196985 /nfs/dbraw/zinc/19/69/85/1040196985.db2.gz LKOAVAZPHVHWGR-UHFFFAOYSA-N 1 2 348.288 3.637 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(C(C)C)c2)cs1 ZINC000479419529 1040205996 /nfs/dbraw/zinc/20/59/96/1040205996.db2.gz VTNBZXFFXPKLCX-UHFFFAOYSA-N 1 2 331.485 3.929 20 0 EHADLO Cc1cnc2c(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cccc2c1Cl ZINC000912751368 1040221102 /nfs/dbraw/zinc/22/11/02/1040221102.db2.gz FUTRRKATYOHBAP-LBPRGKRZSA-N 1 2 340.814 3.594 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(c3ccc(F)cn3)CC2)c(C)[nH+]1 ZINC000912756823 1040230467 /nfs/dbraw/zinc/23/04/67/1040230467.db2.gz UHXVIPUUEZJJDT-UHFFFAOYSA-N 1 2 327.403 3.561 20 0 EHADLO CCCn1nccc1C[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000667487979 1040233162 /nfs/dbraw/zinc/23/31/62/1040233162.db2.gz NSMDEAUPIBVDLU-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCCn1nccc1C[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000667487979 1040233169 /nfs/dbraw/zinc/23/31/69/1040233169.db2.gz NSMDEAUPIBVDLU-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCC/C=C/[C@@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000907934620 1040250295 /nfs/dbraw/zinc/25/02/95/1040250295.db2.gz LAHBXRLVMXTMKB-CJPFPAEUSA-N 1 2 339.439 3.542 20 0 EHADLO C[C@](O)(C1CC[NH+](Cc2nsc3ccccc32)CC1)C(F)(F)F ZINC000660288903 1040254455 /nfs/dbraw/zinc/25/44/55/1040254455.db2.gz FVTKIQJOQCEJBV-HNNXBMFYSA-N 1 2 344.402 3.822 20 0 EHADLO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000489987984 1040289367 /nfs/dbraw/zinc/28/93/67/1040289367.db2.gz FFLZAACRYBUQRI-QMTHXVAHSA-N 1 2 340.345 3.649 20 0 EHADLO C[C@H](CC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)n1cc[nH+]c1 ZINC001127018508 1040324366 /nfs/dbraw/zinc/32/43/66/1040324366.db2.gz KEWWSTIPXDITRH-QRWLVFNGSA-N 1 2 337.398 3.879 20 0 EHADLO C[C@@H](CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)n1cc[nH+]c1 ZINC001127018507 1040325121 /nfs/dbraw/zinc/32/51/21/1040325121.db2.gz KEWWSTIPXDITRH-MGPUTAFESA-N 1 2 337.398 3.879 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120005520 1040351180 /nfs/dbraw/zinc/35/11/80/1040351180.db2.gz FDAQGPBAEBDZCZ-BRWVUGGUSA-N 1 2 346.519 3.599 20 0 EHADLO CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H](C)C(C)C ZINC000908273676 1040375780 /nfs/dbraw/zinc/37/57/80/1040375780.db2.gz CGTDRQKUMDMQOC-INIZCTEOSA-N 1 2 328.460 3.502 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(C(F)(F)F)c(F)c1 ZINC000912836853 1040383037 /nfs/dbraw/zinc/38/30/37/1040383037.db2.gz GHRNEBKNIWFSKY-UHFFFAOYSA-N 1 2 341.308 3.559 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cn1 ZINC000668673444 1040384657 /nfs/dbraw/zinc/38/46/57/1040384657.db2.gz QECXUMNLCYXDHC-QGZVFWFLSA-N 1 2 341.455 3.721 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cn1 ZINC000668673444 1040384670 /nfs/dbraw/zinc/38/46/70/1040384670.db2.gz QECXUMNLCYXDHC-QGZVFWFLSA-N 1 2 341.455 3.721 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649088 1040403582 /nfs/dbraw/zinc/40/35/82/1040403582.db2.gz OENIBPGXFAIYAQ-WOPDTQHZSA-N 1 2 334.382 3.526 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649088 1040403591 /nfs/dbraw/zinc/40/35/91/1040403591.db2.gz OENIBPGXFAIYAQ-WOPDTQHZSA-N 1 2 334.382 3.526 20 0 EHADLO C[N@H+](CCc1cc(Cl)ccc1Cl)Cc1ncnn1CC(F)F ZINC000490258448 1040435998 /nfs/dbraw/zinc/43/59/98/1040435998.db2.gz ZBLNTTIOOGTUPS-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO C[N@@H+](CCc1cc(Cl)ccc1Cl)Cc1ncnn1CC(F)F ZINC000490258448 1040436006 /nfs/dbraw/zinc/43/60/06/1040436006.db2.gz ZBLNTTIOOGTUPS-UHFFFAOYSA-N 1 2 349.212 3.525 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000486783452 1040441685 /nfs/dbraw/zinc/44/16/85/1040441685.db2.gz YBURUTOVOQHVRE-CYBMUJFWSA-N 1 2 347.846 3.676 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000553801009 1040446055 /nfs/dbraw/zinc/44/60/55/1040446055.db2.gz DQWAIXFXGDCPRZ-OAHLLOKOSA-N 1 2 326.223 3.825 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cn(C2CCC2)nn1 ZINC000667534368 1040509283 /nfs/dbraw/zinc/50/92/83/1040509283.db2.gz VQCMVGJUBNJONN-UHFFFAOYSA-N 1 2 334.851 3.557 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cn(C2CCC2)nn1 ZINC000667534368 1040509301 /nfs/dbraw/zinc/50/93/01/1040509301.db2.gz VQCMVGJUBNJONN-UHFFFAOYSA-N 1 2 334.851 3.557 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc2ccccc21 ZINC000155206534 1040510109 /nfs/dbraw/zinc/51/01/09/1040510109.db2.gz CKSVMGREKBLYNI-UHFFFAOYSA-N 1 2 347.418 3.632 20 0 EHADLO Clc1ccc(OCc2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923816725 1040537428 /nfs/dbraw/zinc/53/74/28/1040537428.db2.gz CRICRLPGIGTZSQ-HNNXBMFYSA-N 1 2 333.819 3.991 20 0 EHADLO Clc1ccc(OCc2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923816725 1040537438 /nfs/dbraw/zinc/53/74/38/1040537438.db2.gz CRICRLPGIGTZSQ-HNNXBMFYSA-N 1 2 333.819 3.991 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000433036950 1040538469 /nfs/dbraw/zinc/53/84/69/1040538469.db2.gz AQOHVEUQNRKMJT-NPMABZOXSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000433036950 1040538485 /nfs/dbraw/zinc/53/84/85/1040538485.db2.gz AQOHVEUQNRKMJT-NPMABZOXSA-N 1 2 335.444 3.737 20 0 EHADLO CC(C)=CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479732268 1040563866 /nfs/dbraw/zinc/56/38/66/1040563866.db2.gz YQCKDEYWNLUERX-GOSISDBHSA-N 1 2 326.444 3.507 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000418095197 1040574142 /nfs/dbraw/zinc/57/41/42/1040574142.db2.gz GJRYIYHYDYXSMN-UHFFFAOYSA-N 1 2 336.423 3.984 20 0 EHADLO Cn1ncc(Br)c1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000486990127 1040628696 /nfs/dbraw/zinc/62/86/96/1040628696.db2.gz OUVBMIQQGCIMFA-UHFFFAOYSA-N 1 2 346.228 3.732 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553991553 1040650735 /nfs/dbraw/zinc/65/07/35/1040650735.db2.gz BQSVTGNACFJBEM-SUMWQHHRSA-N 1 2 346.471 3.975 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553991553 1040650750 /nfs/dbraw/zinc/65/07/50/1040650750.db2.gz BQSVTGNACFJBEM-SUMWQHHRSA-N 1 2 346.471 3.975 20 0 EHADLO Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1csnn1 ZINC000668743810 1040729683 /nfs/dbraw/zinc/72/96/83/1040729683.db2.gz WVVLNRYGWSDYMW-AWEZNQCLSA-N 1 2 338.274 3.858 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248367373 1040740122 /nfs/dbraw/zinc/74/01/22/1040740122.db2.gz TYSRVLIJPFOSHX-GRYCIOLGSA-N 1 2 325.250 3.506 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248367373 1040740156 /nfs/dbraw/zinc/74/01/56/1040740156.db2.gz TYSRVLIJPFOSHX-GRYCIOLGSA-N 1 2 325.250 3.506 20 0 EHADLO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000411370746 1040783715 /nfs/dbraw/zinc/78/37/15/1040783715.db2.gz VJHAMWPGYXSFGT-RDJZCZTQSA-N 1 2 335.496 3.520 20 0 EHADLO CCC[N@@H+](C[C@@H]1CCCCO1)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000411370746 1040783724 /nfs/dbraw/zinc/78/37/24/1040783724.db2.gz VJHAMWPGYXSFGT-RDJZCZTQSA-N 1 2 335.496 3.520 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000913459298 1040839040 /nfs/dbraw/zinc/83/90/40/1040839040.db2.gz MDMFZCRRMYFGBY-OAHLLOKOSA-N 1 2 327.453 3.674 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000913459298 1040839050 /nfs/dbraw/zinc/83/90/50/1040839050.db2.gz MDMFZCRRMYFGBY-OAHLLOKOSA-N 1 2 327.453 3.674 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccncc3s2)C[C@H](CC(F)(F)F)O1 ZINC000668768749 1040856250 /nfs/dbraw/zinc/85/62/50/1040856250.db2.gz QWPGYGDGOVTJGB-JQWIXIFHSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccncc3s2)C[C@H](CC(F)(F)F)O1 ZINC000668768749 1040856262 /nfs/dbraw/zinc/85/62/62/1040856262.db2.gz QWPGYGDGOVTJGB-JQWIXIFHSA-N 1 2 330.375 3.838 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)[nH+]c12 ZINC000586720679 1040989675 /nfs/dbraw/zinc/98/96/75/1040989675.db2.gz YPPRBBBTYASVIG-YESZJQIVSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3cccc4ccccc43)[nH+]c12 ZINC000586751270 1040994569 /nfs/dbraw/zinc/99/45/69/1040994569.db2.gz QSOKLDHNVMCSAL-UHFFFAOYSA-N 1 2 343.430 3.697 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000586769749 1041005949 /nfs/dbraw/zinc/00/59/49/1041005949.db2.gz GHNYAPARJLJHBX-UHFFFAOYSA-N 1 2 337.847 3.519 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000586769749 1041005964 /nfs/dbraw/zinc/00/59/64/1041005964.db2.gz GHNYAPARJLJHBX-UHFFFAOYSA-N 1 2 337.847 3.519 20 0 EHADLO Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc[nH+]1 ZINC000500305370 1041006883 /nfs/dbraw/zinc/00/68/83/1041006883.db2.gz JWCDWRGCTZUNPM-UHFFFAOYSA-N 1 2 343.839 3.770 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511516 1041007685 /nfs/dbraw/zinc/00/76/85/1041007685.db2.gz XYQQYHPYVPTXQM-QIIPPGSGSA-N 1 2 335.517 3.996 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511516 1041007701 /nfs/dbraw/zinc/00/77/01/1041007701.db2.gz XYQQYHPYVPTXQM-QIIPPGSGSA-N 1 2 335.517 3.996 20 0 EHADLO Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc(C)n1 ZINC000659854461 1041015034 /nfs/dbraw/zinc/01/50/34/1041015034.db2.gz ZKFHDLZQFYUEPR-QWRGUYRKSA-N 1 2 341.299 3.656 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc(F)c1F ZINC001143610019 1041024230 /nfs/dbraw/zinc/02/42/30/1041024230.db2.gz NYQQVSNUEYXJQE-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000586817950 1041040239 /nfs/dbraw/zinc/04/02/39/1041040239.db2.gz HDPQEESLRABHDL-UHFFFAOYSA-N 1 2 331.847 3.641 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nn(C)cc1Br ZINC000433196444 1041042727 /nfs/dbraw/zinc/04/27/27/1041042727.db2.gz JQFDCWUOASNMRW-CYBMUJFWSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nn(C)cc1Br ZINC000433196444 1041042745 /nfs/dbraw/zinc/04/27/45/1041042745.db2.gz JQFDCWUOASNMRW-CYBMUJFWSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1ncoc1CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000894129276 1041051864 /nfs/dbraw/zinc/05/18/64/1041051864.db2.gz XFZZWWJWEKYTCK-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1ncoc1CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000894129276 1041051878 /nfs/dbraw/zinc/05/18/78/1041051878.db2.gz XFZZWWJWEKYTCK-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000411665126 1041052493 /nfs/dbraw/zinc/05/24/93/1041052493.db2.gz GWZHXOONHLFKDA-HNNXBMFYSA-N 1 2 328.309 3.773 20 0 EHADLO c1sc(Nc2ccccc2)nc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419281408 1041063237 /nfs/dbraw/zinc/06/32/37/1041063237.db2.gz GRLBATHAZOROJS-UHFFFAOYSA-N 1 2 343.496 3.842 20 0 EHADLO Cc1ccc(C)c(OCCC[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000411741349 1041097319 /nfs/dbraw/zinc/09/73/19/1041097319.db2.gz DWAZLLUDDXWRMV-INIZCTEOSA-N 1 2 347.459 3.731 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)c1 ZINC000055034101 1041100906 /nfs/dbraw/zinc/10/09/06/1041100906.db2.gz BRNQXVSUYWLFGY-MRXNPFEDSA-N 1 2 328.485 3.932 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)c1 ZINC000055034101 1041100907 /nfs/dbraw/zinc/10/09/07/1041100907.db2.gz BRNQXVSUYWLFGY-MRXNPFEDSA-N 1 2 328.485 3.932 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(COc3ccccc3)CC2)o1 ZINC000055082162 1041111051 /nfs/dbraw/zinc/11/10/51/1041111051.db2.gz HFJLJESIBZBTBB-UHFFFAOYSA-N 1 2 329.444 3.658 20 0 EHADLO CCc1cccc(CC)c1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924763756 1041117774 /nfs/dbraw/zinc/11/77/74/1041117774.db2.gz SAHIUHKGKULMPB-UHFFFAOYSA-N 1 2 346.500 3.651 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000570939777 1041120983 /nfs/dbraw/zinc/12/09/83/1041120983.db2.gz MHCQRTUHIIVYPG-CVEARBPZSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000570939777 1041120996 /nfs/dbraw/zinc/12/09/96/1041120996.db2.gz MHCQRTUHIIVYPG-CVEARBPZSA-N 1 2 325.456 3.605 20 0 EHADLO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(Cl)c1 ZINC000433271098 1041181973 /nfs/dbraw/zinc/18/19/73/1041181973.db2.gz SITVLFNRLXWZRD-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(Cl)c1 ZINC000433271098 1041181983 /nfs/dbraw/zinc/18/19/83/1041181983.db2.gz SITVLFNRLXWZRD-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO CO[C@H]1C[NH+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C[C@@H]1OC ZINC000487982783 1041235452 /nfs/dbraw/zinc/23/54/52/1041235452.db2.gz SJJRTMNYMRZORW-ROUUACIJSA-N 1 2 346.496 3.779 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000571261844 1041247753 /nfs/dbraw/zinc/24/77/53/1041247753.db2.gz MNRKGFIIAIERSX-QGZVFWFLSA-N 1 2 343.862 3.650 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCn1cc(Cl)cn1 ZINC000571261844 1041247772 /nfs/dbraw/zinc/24/77/72/1041247772.db2.gz MNRKGFIIAIERSX-QGZVFWFLSA-N 1 2 343.862 3.650 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000584334302 1041270434 /nfs/dbraw/zinc/27/04/34/1041270434.db2.gz ABCQOTLZWLEEOS-SJORKVTESA-N 1 2 341.459 3.664 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000645847039 1041276751 /nfs/dbraw/zinc/27/67/51/1041276751.db2.gz ACKDMGAMSLWDAT-LJQANCHMSA-N 1 2 348.450 3.602 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000364427377 1041277821 /nfs/dbraw/zinc/27/78/21/1041277821.db2.gz QOIYJIPWCKLBHI-AWEZNQCLSA-N 1 2 349.814 3.589 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428748365 1041350399 /nfs/dbraw/zinc/35/03/99/1041350399.db2.gz MNDRNIBQJQZCIY-DZGCQCFKSA-N 1 2 329.774 3.604 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428748365 1041350407 /nfs/dbraw/zinc/35/04/07/1041350407.db2.gz MNDRNIBQJQZCIY-DZGCQCFKSA-N 1 2 329.774 3.604 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2Br)o1 ZINC000311755848 1041353086 /nfs/dbraw/zinc/35/30/86/1041353086.db2.gz JZFDKTKNZLBNQE-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)n1 ZINC000428751346 1041353694 /nfs/dbraw/zinc/35/36/94/1041353694.db2.gz MLBUAXUXMQVPHX-MRXNPFEDSA-N 1 2 343.471 3.849 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000512995468 1041364162 /nfs/dbraw/zinc/36/41/62/1041364162.db2.gz CSVCPNMNMNVRGI-FGTMMUONSA-N 1 2 343.515 3.829 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000509869592 1041375529 /nfs/dbraw/zinc/37/55/29/1041375529.db2.gz XIIPCEMCILLPMM-UHFFFAOYSA-N 1 2 338.432 3.964 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000500417367 1041411648 /nfs/dbraw/zinc/41/16/48/1041411648.db2.gz SHUXAMTXRIBANP-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000500417367 1041411646 /nfs/dbraw/zinc/41/16/46/1041411646.db2.gz SHUXAMTXRIBANP-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(C2CCC2)CC1 ZINC000660458329 1041443688 /nfs/dbraw/zinc/44/36/88/1041443688.db2.gz YEFSEMODMLXURG-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000111311103 1041546298 /nfs/dbraw/zinc/54/62/98/1041546298.db2.gz NBSCLJUVKGOZBK-OAHLLOKOSA-N 1 2 333.432 3.539 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1F)CCC2 ZINC000111311103 1041546302 /nfs/dbraw/zinc/54/63/02/1041546302.db2.gz NBSCLJUVKGOZBK-OAHLLOKOSA-N 1 2 333.432 3.539 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@H]([NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000365008537 1041791204 /nfs/dbraw/zinc/79/12/04/1041791204.db2.gz DOMACSYLLVIZCY-QGZVFWFLSA-N 1 2 339.439 3.894 20 0 EHADLO COc1cc(OC)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1F ZINC000651623899 1041808722 /nfs/dbraw/zinc/80/87/22/1041808722.db2.gz VIGJRWBOXDRHTN-MRXNPFEDSA-N 1 2 349.402 3.617 20 0 EHADLO COc1cc(OC)c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1F ZINC000651623899 1041808726 /nfs/dbraw/zinc/80/87/26/1041808726.db2.gz VIGJRWBOXDRHTN-MRXNPFEDSA-N 1 2 349.402 3.617 20 0 EHADLO O=C1Nc2ccccc2S[C@H]1CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000660927376 1041876011 /nfs/dbraw/zinc/87/60/11/1041876011.db2.gz ZWKIVHJKWOVZKM-KRWDZBQOSA-N 1 2 346.402 3.784 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cn1 ZINC000164304846 1041964022 /nfs/dbraw/zinc/96/40/22/1041964022.db2.gz ZXJHURABSILAPC-KRWDZBQOSA-N 1 2 337.471 3.754 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000613784132 1042087809 /nfs/dbraw/zinc/08/78/09/1042087809.db2.gz FPOYUBGVPANBHX-CYBMUJFWSA-N 1 2 334.822 3.707 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000613784132 1042087815 /nfs/dbraw/zinc/08/78/15/1042087815.db2.gz FPOYUBGVPANBHX-CYBMUJFWSA-N 1 2 334.822 3.707 20 0 EHADLO CCOC(=O)C1([NH2+]CCCc2ccc(C)cc2)Cc2ccccc2C1 ZINC001167778162 1042104542 /nfs/dbraw/zinc/10/45/42/1042104542.db2.gz ALXNPOQCIUDYQN-UHFFFAOYSA-N 1 2 337.463 3.618 20 0 EHADLO CC[C@H](NC(=O)C[NH2+][C@H](C)c1cscn1)c1ccc(Cl)cc1 ZINC000661419955 1042112781 /nfs/dbraw/zinc/11/27/81/1042112781.db2.gz GRDTVDNZWIXISJ-RISCZKNCSA-N 1 2 337.876 3.715 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000651882400 1042137143 /nfs/dbraw/zinc/13/71/43/1042137143.db2.gz NNIHIGFEKBZAKB-QZTJIDSGSA-N 1 2 337.467 3.605 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1F ZINC000661488838 1042145565 /nfs/dbraw/zinc/14/55/65/1042145565.db2.gz YHBMHNDGQVBXOK-KRWDZBQOSA-N 1 2 326.375 3.758 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513966 1042159641 /nfs/dbraw/zinc/15/96/41/1042159641.db2.gz VFPZRVQSHLTCBR-DNVCBOLYSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513966 1042159645 /nfs/dbraw/zinc/15/96/45/1042159645.db2.gz VFPZRVQSHLTCBR-DNVCBOLYSA-N 1 2 326.415 3.620 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2cccnc2Cl)c(OC)c1 ZINC000164408317 1042181524 /nfs/dbraw/zinc/18/15/24/1042181524.db2.gz RFKWIPLPGVKNQM-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cc(Cl)cc(Br)c2)s1 ZINC000893477912 1042226719 /nfs/dbraw/zinc/22/67/19/1042226719.db2.gz KORMYZHTHWLQMI-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000652173878 1042262485 /nfs/dbraw/zinc/26/24/85/1042262485.db2.gz XKVUIMWQYPICKS-NEWSRXKRSA-N 1 2 340.471 3.545 20 0 EHADLO CC(C)C[C@H]1COCC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000893494894 1042274665 /nfs/dbraw/zinc/27/46/65/1042274665.db2.gz UVEWYVBIZWUSKF-RBUKOAKNSA-N 1 2 342.439 3.539 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661733561 1042287529 /nfs/dbraw/zinc/28/75/29/1042287529.db2.gz ILSLJYSUUJCLLZ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661733561 1042287531 /nfs/dbraw/zinc/28/75/31/1042287531.db2.gz ILSLJYSUUJCLLZ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000661737683 1042293714 /nfs/dbraw/zinc/29/37/14/1042293714.db2.gz JOHDSUDMRSJFHD-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000661737683 1042293717 /nfs/dbraw/zinc/29/37/17/1042293717.db2.gz JOHDSUDMRSJFHD-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccnc(N)c1 ZINC000661738790 1042296438 /nfs/dbraw/zinc/29/64/38/1042296438.db2.gz HTMAFJGTBAAKPD-MRXNPFEDSA-N 1 2 331.847 3.669 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccnc(N)c1 ZINC000661738790 1042296444 /nfs/dbraw/zinc/29/64/44/1042296444.db2.gz HTMAFJGTBAAKPD-MRXNPFEDSA-N 1 2 331.847 3.669 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccn1 ZINC000048273773 1042299935 /nfs/dbraw/zinc/29/99/35/1042299935.db2.gz MFBPIBMHBCTYLZ-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccn1 ZINC000048273773 1042299943 /nfs/dbraw/zinc/29/99/43/1042299943.db2.gz MFBPIBMHBCTYLZ-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000661858543 1042366839 /nfs/dbraw/zinc/36/68/39/1042366839.db2.gz YLSPJOCFYCNNIZ-QLFBSQMISA-N 1 2 338.879 3.783 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000661858543 1042366842 /nfs/dbraw/zinc/36/68/42/1042366842.db2.gz YLSPJOCFYCNNIZ-QLFBSQMISA-N 1 2 338.879 3.783 20 0 EHADLO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1nccs1 ZINC000040443986 1042395800 /nfs/dbraw/zinc/39/58/00/1042395800.db2.gz OADZDZDDILTZDZ-UHFFFAOYSA-N 1 2 349.200 3.797 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661951164 1042428053 /nfs/dbraw/zinc/42/80/53/1042428053.db2.gz JDEVVKVIUSJHEA-UHFFFAOYSA-N 1 2 342.483 3.585 20 0 EHADLO C[C@](CO)([NH2+]Cc1cnc(C2CC2)o1)c1cc(Cl)cc(Cl)c1 ZINC000628300876 1042464191 /nfs/dbraw/zinc/46/41/91/1042464191.db2.gz APPSFXZUZWWLJR-MRXNPFEDSA-N 1 2 341.238 3.856 20 0 EHADLO CCc1ccc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)cc1 ZINC000662042343 1042477906 /nfs/dbraw/zinc/47/79/06/1042477906.db2.gz FJUDGZFGEZJIKV-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)c(C)[nH+]1 ZINC000221565461 1042506340 /nfs/dbraw/zinc/50/63/40/1042506340.db2.gz AUWBEODIKNJTRK-WDZFZDKYSA-N 1 2 349.434 3.551 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662094411 1042514856 /nfs/dbraw/zinc/51/48/56/1042514856.db2.gz BEMWOPMJGIPUOJ-STQMWFEESA-N 1 2 332.188 3.620 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662094411 1042514861 /nfs/dbraw/zinc/51/48/61/1042514861.db2.gz BEMWOPMJGIPUOJ-STQMWFEESA-N 1 2 332.188 3.620 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nccs1 ZINC000184425128 1042538356 /nfs/dbraw/zinc/53/83/56/1042538356.db2.gz ZOIULBDMOBQEAM-ZDUSSCGKSA-N 1 2 349.475 3.760 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662163907 1042556070 /nfs/dbraw/zinc/55/60/70/1042556070.db2.gz UYIPNPQLJCYAMG-GOSISDBHSA-N 1 2 335.394 3.920 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000662198418 1042584875 /nfs/dbraw/zinc/58/48/75/1042584875.db2.gz HCJZGYULIYLQEZ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO CC(C)OC1CC([N@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000662198418 1042584879 /nfs/dbraw/zinc/58/48/79/1042584879.db2.gz HCJZGYULIYLQEZ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO CCSCc1ccccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000278857400 1042596216 /nfs/dbraw/zinc/59/62/16/1042596216.db2.gz UVJDYZONZXMUQM-INIZCTEOSA-N 1 2 347.484 3.771 20 0 EHADLO CCSCc1ccccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000278857400 1042596218 /nfs/dbraw/zinc/59/62/18/1042596218.db2.gz UVJDYZONZXMUQM-INIZCTEOSA-N 1 2 347.484 3.771 20 0 EHADLO COc1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc(OC)c1OC ZINC000631280446 1042612956 /nfs/dbraw/zinc/61/29/56/1042612956.db2.gz MTKQDCMBSXMWTG-HNNXBMFYSA-N 1 2 337.366 3.652 20 0 EHADLO CC[C@@H](OCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223545 1042614476 /nfs/dbraw/zinc/61/44/76/1042614476.db2.gz OXRHLVYKUXQJEL-HZPDHXFCSA-N 1 2 331.378 3.808 20 0 EHADLO CC[C@@H](OCC[N@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223545 1042614480 /nfs/dbraw/zinc/61/44/80/1042614480.db2.gz OXRHLVYKUXQJEL-HZPDHXFCSA-N 1 2 331.378 3.808 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+](C/C=C\c1ccc(Cl)cc1)C2 ZINC000662236162 1042623044 /nfs/dbraw/zinc/62/30/44/1042623044.db2.gz DQDJJTQUQQHCLE-PLNGDYQASA-N 1 2 330.863 3.758 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+](C/C=C\c1ccc(Cl)cc1)C2 ZINC000662236162 1042623046 /nfs/dbraw/zinc/62/30/46/1042623046.db2.gz DQDJJTQUQQHCLE-PLNGDYQASA-N 1 2 330.863 3.758 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)C(=O)c1ccccc1 ZINC000602086474 1042661568 /nfs/dbraw/zinc/66/15/68/1042661568.db2.gz KDADQBNODYPGRB-HNNXBMFYSA-N 1 2 333.391 3.720 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000161802697 1042687387 /nfs/dbraw/zinc/68/73/87/1042687387.db2.gz OPTPFBJYHPRCRW-UHFFFAOYSA-N 1 2 341.754 3.711 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000663366492 1042758722 /nfs/dbraw/zinc/75/87/22/1042758722.db2.gz ICLYDSICEWSSOR-LJQANCHMSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000663366492 1042758726 /nfs/dbraw/zinc/75/87/26/1042758726.db2.gz ICLYDSICEWSSOR-LJQANCHMSA-N 1 2 340.471 3.637 20 0 EHADLO Cc1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)c(Cl)c1 ZINC001167803822 1042791774 /nfs/dbraw/zinc/79/17/74/1042791774.db2.gz FEFQUEHMBDORHD-KRWDZBQOSA-N 1 2 337.250 3.792 20 0 EHADLO C[C@@H](CNc1nc(C(F)F)nc2ccc(F)cc21)Cn1cc[nH+]c1 ZINC000663394574 1042809765 /nfs/dbraw/zinc/80/97/65/1042809765.db2.gz WXMPTRMDMNRJNO-JTQLQIEISA-N 1 2 335.333 3.651 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2sc(Cl)cc2C1)c1ccc(F)cc1F ZINC000828998791 1042830804 /nfs/dbraw/zinc/83/08/04/1042830804.db2.gz ZPACWDDRNGMIOA-ZDUSSCGKSA-N 1 2 329.799 3.771 20 0 EHADLO O[C@@H](C[N@H+]1CCc2sc(Cl)cc2C1)c1ccc(F)cc1F ZINC000828998791 1042830806 /nfs/dbraw/zinc/83/08/06/1042830806.db2.gz ZPACWDDRNGMIOA-ZDUSSCGKSA-N 1 2 329.799 3.771 20 0 EHADLO Fc1nc(F)c(F)c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1F ZINC000828202127 1042831020 /nfs/dbraw/zinc/83/10/20/1042831020.db2.gz WWMATNZOTNHPPM-MGCOHNPYSA-N 1 2 340.324 3.868 20 0 EHADLO O=C(CCC1CC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000604213722 1042886048 /nfs/dbraw/zinc/88/60/48/1042886048.db2.gz SUEYAHOMRQUEGC-UHFFFAOYSA-N 1 2 340.389 3.540 20 0 EHADLO CCCCn1c(SC[C@H]2CCCCO2)nnc1[C@H](CC)[NH+](C)C ZINC000044172364 1042960021 /nfs/dbraw/zinc/96/00/21/1042960021.db2.gz CVGSOPLUFKJXNB-CABCVRRESA-N 1 2 340.537 3.752 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000722375402 1042986038 /nfs/dbraw/zinc/98/60/38/1042986038.db2.gz DVBOCEXIPNETCE-LBPRGKRZSA-N 1 2 326.625 3.534 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000066985636 1043024660 /nfs/dbraw/zinc/02/46/60/1043024660.db2.gz NVONEEBWAUJRFG-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccs1 ZINC000278943418 1043063425 /nfs/dbraw/zinc/06/34/25/1043063425.db2.gz LHASSZBYJNMUKL-AWEZNQCLSA-N 1 2 343.496 3.791 20 0 EHADLO C[N@H+](CCSc1ccccc1F)CC(=O)Nc1cccc(F)c1 ZINC000007579184 1043064476 /nfs/dbraw/zinc/06/44/76/1043064476.db2.gz ZNBVUDUWIAZYFP-UHFFFAOYSA-N 1 2 336.407 3.627 20 0 EHADLO C[N@@H+](CCSc1ccccc1F)CC(=O)Nc1cccc(F)c1 ZINC000007579184 1043064484 /nfs/dbraw/zinc/06/44/84/1043064484.db2.gz ZNBVUDUWIAZYFP-UHFFFAOYSA-N 1 2 336.407 3.627 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)[S@]1=O ZINC000348553504 1043103038 /nfs/dbraw/zinc/10/30/38/1043103038.db2.gz XGICKXLMMKBFNS-KFOHMRLHSA-N 1 2 335.513 3.522 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)[S@]1=O ZINC000348553504 1043103043 /nfs/dbraw/zinc/10/30/43/1043103043.db2.gz XGICKXLMMKBFNS-KFOHMRLHSA-N 1 2 335.513 3.522 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)c1 ZINC000348553683 1043118955 /nfs/dbraw/zinc/11/89/55/1043118955.db2.gz OGSNYQUQLWXEGP-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000348553683 1043118965 /nfs/dbraw/zinc/11/89/65/1043118965.db2.gz OGSNYQUQLWXEGP-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)[C@H]1C ZINC000605155564 1043144168 /nfs/dbraw/zinc/14/41/68/1043144168.db2.gz UXAKELFZCVNYIT-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)[C@H]1C ZINC000605155564 1043144171 /nfs/dbraw/zinc/14/41/71/1043144171.db2.gz UXAKELFZCVNYIT-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1F ZINC000344068859 1043197654 /nfs/dbraw/zinc/19/76/54/1043197654.db2.gz UEDUNMDZERWXDT-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279026694 1043218212 /nfs/dbraw/zinc/21/82/12/1043218212.db2.gz WIYLCWCGJAGRGZ-AEJSXWLSSA-N 1 2 337.411 3.506 20 0 EHADLO Cc1noc(C)c1C[C@@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000663643653 1043230484 /nfs/dbraw/zinc/23/04/84/1043230484.db2.gz OCSQUWSIGZCYDV-SSDOTTSWSA-N 1 2 339.237 3.504 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(Cl)c(F)c1 ZINC000056658450 1043233725 /nfs/dbraw/zinc/23/37/25/1043233725.db2.gz OQNSMRVHRGWFPE-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344101140 1043249774 /nfs/dbraw/zinc/24/97/74/1043249774.db2.gz CKVKPMBLSIZMIT-NSHDSACASA-N 1 2 345.306 3.514 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344101140 1043249782 /nfs/dbraw/zinc/24/97/82/1043249782.db2.gz CKVKPMBLSIZMIT-NSHDSACASA-N 1 2 345.306 3.514 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 ZINC000136878914 1043295232 /nfs/dbraw/zinc/29/52/32/1043295232.db2.gz MBOKLDXZIKUNNI-SFHVURJKSA-N 1 2 346.519 3.745 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](CO)C[C@H]3C)cs2)cc1 ZINC000344127281 1043295937 /nfs/dbraw/zinc/29/59/37/1043295937.db2.gz JMCOEEHLNDVTRT-CVEARBPZSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](CO)C[C@H]3C)cs2)cc1 ZINC000344127281 1043295948 /nfs/dbraw/zinc/29/59/48/1043295948.db2.gz JMCOEEHLNDVTRT-CVEARBPZSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344134883 1043308747 /nfs/dbraw/zinc/30/87/47/1043308747.db2.gz ZWWKDJQGQVLOGX-LBPRGKRZSA-N 1 2 340.290 3.853 20 0 EHADLO Cc1nccn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344134883 1043308752 /nfs/dbraw/zinc/30/87/52/1043308752.db2.gz ZWWKDJQGQVLOGX-LBPRGKRZSA-N 1 2 340.290 3.853 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348845307 1043432150 /nfs/dbraw/zinc/43/21/50/1043432150.db2.gz YRLSQWDFPDVDDQ-UHFFFAOYSA-N 1 2 341.329 3.678 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348845307 1043432158 /nfs/dbraw/zinc/43/21/58/1043432158.db2.gz YRLSQWDFPDVDDQ-UHFFFAOYSA-N 1 2 341.329 3.678 20 0 EHADLO Cc1nc(NCc2ncc(C(C)(C)C)o2)c(Br)c(C)[nH+]1 ZINC000663683408 1043546304 /nfs/dbraw/zinc/54/63/04/1043546304.db2.gz RVGSVPZBEASGMW-UHFFFAOYSA-N 1 2 339.237 3.754 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCCc4occc4C3)C2=O)c1 ZINC000344275437 1043574902 /nfs/dbraw/zinc/57/49/02/1043574902.db2.gz NAQZSHJTLSDJJM-KRWDZBQOSA-N 1 2 342.414 3.671 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCCc4occc4C3)C2=O)c1 ZINC000344275437 1043574910 /nfs/dbraw/zinc/57/49/10/1043574910.db2.gz NAQZSHJTLSDJJM-KRWDZBQOSA-N 1 2 342.414 3.671 20 0 EHADLO CCC(CC)[N@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C1CC1 ZINC000728898372 1043614097 /nfs/dbraw/zinc/61/40/97/1043614097.db2.gz HEIAMXKICACGRW-UHFFFAOYSA-N 1 2 325.526 3.671 20 0 EHADLO CCC(CC)[N@@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C1CC1 ZINC000728898372 1043614099 /nfs/dbraw/zinc/61/40/99/1043614099.db2.gz HEIAMXKICACGRW-UHFFFAOYSA-N 1 2 325.526 3.671 20 0 EHADLO CC1=NN(c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)CC1 ZINC000162819609 1043791323 /nfs/dbraw/zinc/79/13/23/1043791323.db2.gz GMCSCOVCKIPRLX-UHFFFAOYSA-N 1 2 345.406 3.915 20 0 EHADLO Cc1c(N[C@@H]2CCC(F)(F)C2)nc[nH+]c1N[C@@H]1CCC(F)(F)C1 ZINC000663718606 1043804340 /nfs/dbraw/zinc/80/43/40/1043804340.db2.gz DXDNVPJAQDZLRT-GHMZBOCLSA-N 1 2 332.345 3.984 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000007691668 1043830449 /nfs/dbraw/zinc/83/04/49/1043830449.db2.gz IIRWAFPOYAZQGX-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000007691668 1043830468 /nfs/dbraw/zinc/83/04/68/1043830468.db2.gz IIRWAFPOYAZQGX-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(F)ccc1OC ZINC000007696447 1043840933 /nfs/dbraw/zinc/84/09/33/1043840933.db2.gz SRVMJVXBOHCZDV-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(F)ccc1OC ZINC000007696447 1043840951 /nfs/dbraw/zinc/84/09/51/1043840951.db2.gz SRVMJVXBOHCZDV-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO CN(C)c1ccc(NCc2ccc(OCc3ccncc3)cc2)c[nH+]1 ZINC000162946621 1043860088 /nfs/dbraw/zinc/86/00/88/1043860088.db2.gz YDRZMUFSWPRHKC-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO Cc1c(N[C@@H]2CCOC(C)(C)C2)nc[nH+]c1N[C@H]1CCOC(C)(C)C1 ZINC000663744445 1043914017 /nfs/dbraw/zinc/91/40/17/1043914017.db2.gz MMEJYDAHXMZTNA-GASCZTMLSA-N 1 2 348.491 3.524 20 0 EHADLO Cc1c(N[C@H]2CCOC(C)(C)C2)nc[nH+]c1N[C@@H]1CCOC(C)(C)C1 ZINC000663744445 1043914030 /nfs/dbraw/zinc/91/40/30/1043914030.db2.gz MMEJYDAHXMZTNA-GASCZTMLSA-N 1 2 348.491 3.524 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(Cl)nc3)n2)c1 ZINC000279416923 1044057589 /nfs/dbraw/zinc/05/75/89/1044057589.db2.gz FJRMLTLRALBMHD-RYUDHWBXSA-N 1 2 342.834 3.635 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC000429809083 1044087428 /nfs/dbraw/zinc/08/74/28/1044087428.db2.gz QNIZPNKJDUXOMF-INIZCTEOSA-N 1 2 333.435 3.916 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC000429809083 1044087444 /nfs/dbraw/zinc/08/74/44/1044087444.db2.gz QNIZPNKJDUXOMF-INIZCTEOSA-N 1 2 333.435 3.916 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1cccs1 ZINC000279550010 1044206327 /nfs/dbraw/zinc/20/63/27/1044206327.db2.gz WJWWXZGRPWSXIZ-UHFFFAOYSA-N 1 2 337.510 3.574 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1cccs1 ZINC000279550010 1044206333 /nfs/dbraw/zinc/20/63/33/1044206333.db2.gz WJWWXZGRPWSXIZ-UHFFFAOYSA-N 1 2 337.510 3.574 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OCC ZINC000344634606 1044224043 /nfs/dbraw/zinc/22/40/43/1044224043.db2.gz ZCYFEDGNMPNYDL-UHFFFAOYSA-N 1 2 335.473 3.749 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000279581684 1044259779 /nfs/dbraw/zinc/25/97/79/1044259779.db2.gz UREGIJQTLDTWEN-MKRDWBOCSA-N 1 2 342.483 3.670 20 0 EHADLO Cn1cc(-c2ccc(CNc3cccc(-n4cc[nH+]c4)c3)s2)cn1 ZINC000337821489 1044467272 /nfs/dbraw/zinc/46/72/72/1044467272.db2.gz RAVSBANAICHREO-UHFFFAOYSA-N 1 2 335.436 3.946 20 0 EHADLO Cc1cccc([C@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C(C)C)c1 ZINC000637477670 1044476747 /nfs/dbraw/zinc/47/67/47/1044476747.db2.gz KUIJNPPGFRIIOB-RTBURBONSA-N 1 2 340.471 3.935 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3C(F)(F)F)[nH+]c12 ZINC000041284186 1044478973 /nfs/dbraw/zinc/47/89/73/1044478973.db2.gz CGJDLJJEFZDQFG-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO CCC1(CC)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCS1 ZINC000344862912 1044542578 /nfs/dbraw/zinc/54/25/78/1044542578.db2.gz KYIVCXKJPBOEAV-UHFFFAOYSA-N 1 2 329.469 3.620 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)CCO2 ZINC000512291271 1044557922 /nfs/dbraw/zinc/55/79/22/1044557922.db2.gz GXVSQKBIJZAFNG-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)CCO2 ZINC000512291271 1044557933 /nfs/dbraw/zinc/55/79/33/1044557933.db2.gz GXVSQKBIJZAFNG-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO CCOc1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC000112280981 1044596547 /nfs/dbraw/zinc/59/65/47/1044596547.db2.gz QKLATSOMQXRDDE-UHFFFAOYSA-N 1 2 342.786 3.776 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000112599749 1044617748 /nfs/dbraw/zinc/61/77/48/1044617748.db2.gz UORYPZLCTDXVKP-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000112599749 1044617751 /nfs/dbraw/zinc/61/77/51/1044617751.db2.gz UORYPZLCTDXVKP-GFCCVEGCSA-N 1 2 327.359 3.774 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000613999747 1044647758 /nfs/dbraw/zinc/64/77/58/1044647758.db2.gz GFPQBOXAPUAGEH-IAGOWNOFSA-N 1 2 331.504 3.901 20 0 EHADLO COC(=O)[C@@H](c1ccc(Br)s1)[N@@H+](C)CC1CCCC1 ZINC001197086729 1135644020 /nfs/dbraw/zinc/64/40/20/1135644020.db2.gz KUSSBGXJDYJWSV-CYBMUJFWSA-N 1 2 346.290 3.847 20 0 EHADLO O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000620242751 1125521205 /nfs/dbraw/zinc/52/12/05/1125521205.db2.gz SSNCMVBMJIZDBG-MRXNPFEDSA-N 1 2 345.324 3.906 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)cc1 ZINC000620409221 1125568981 /nfs/dbraw/zinc/56/89/81/1125568981.db2.gz GPJXUJKFWSOCGU-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO CC[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000620409932 1125568990 /nfs/dbraw/zinc/56/89/90/1125568990.db2.gz KSXBJINPCDXKLP-AWEZNQCLSA-N 1 2 337.370 3.532 20 0 EHADLO Cn1ncnc1C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000153886142 1125671769 /nfs/dbraw/zinc/67/17/69/1125671769.db2.gz AHYGSKBEVNNFNV-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO Cc1oc2nc(C[N@H+](C)Cc3cc4ccccc4o3)nc(N)c2c1C ZINC000154120633 1125694801 /nfs/dbraw/zinc/69/48/01/1125694801.db2.gz AMSYEOGDNJMJIY-UHFFFAOYSA-N 1 2 336.395 3.800 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)Cc3cc4ccccc4o3)nc(N)c2c1C ZINC000154120633 1125694807 /nfs/dbraw/zinc/69/48/07/1125694807.db2.gz AMSYEOGDNJMJIY-UHFFFAOYSA-N 1 2 336.395 3.800 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000154735762 1125752946 /nfs/dbraw/zinc/75/29/46/1125752946.db2.gz UUFQSWZKSODKGE-CQSZACIVSA-N 1 2 337.254 3.698 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N(C)CCCn2cc[nH+]c2)ccc1C(C)C ZINC000154863109 1125760968 /nfs/dbraw/zinc/76/09/68/1125760968.db2.gz LPWACYLXLGXSFQ-QGZVFWFLSA-N 1 2 343.471 3.631 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCc2ccccc21 ZINC000734425901 1131233398 /nfs/dbraw/zinc/23/33/98/1131233398.db2.gz DLJNIOQBIUWUPT-WMZOPIPTSA-N 1 2 325.456 3.534 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000171922498 1126769790 /nfs/dbraw/zinc/76/97/90/1126769790.db2.gz QCVMWRHQHMJTJJ-LJQANCHMSA-N 1 2 331.456 3.714 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172055343 1126778466 /nfs/dbraw/zinc/77/84/66/1126778466.db2.gz PECHCCWJXZCNIV-UHFFFAOYSA-N 1 2 347.462 3.817 20 0 EHADLO C[C@H](NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1)c1cccs1 ZINC000671253010 1126819472 /nfs/dbraw/zinc/81/94/72/1126819472.db2.gz JXTXLZFLNMQDMJ-NSHDSACASA-N 1 2 334.407 3.590 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173217801 1126826825 /nfs/dbraw/zinc/82/68/25/1126826825.db2.gz BJRCZUOIWQMHNH-AEJSXWLSSA-N 1 2 337.411 3.506 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175252335 1126868714 /nfs/dbraw/zinc/86/87/14/1126868714.db2.gz UKNQUQGRZAGUBY-NEPJUHHUSA-N 1 2 335.498 3.851 20 0 EHADLO c1n[nH]c2cc(CC[NH2+][C@H](c3ccccc3)c3ccccn3)ccc12 ZINC000671301819 1126888503 /nfs/dbraw/zinc/88/85/03/1126888503.db2.gz QAHANYSJAVFDHN-OAQYLSRUSA-N 1 2 328.419 3.880 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)c(F)c1 ZINC000623234621 1126900895 /nfs/dbraw/zinc/90/08/95/1126900895.db2.gz PWHZAMOTWXVODE-DIFFPNOSSA-N 1 2 332.806 3.843 20 0 EHADLO Cc1ccccc1CN(Cc1cccnc1)C(=O)CCCn1cc[nH+]c1 ZINC000623275575 1126908546 /nfs/dbraw/zinc/90/85/46/1126908546.db2.gz PCBPJWCJJOADGC-UHFFFAOYSA-N 1 2 348.450 3.596 20 0 EHADLO C[C@@H]([NH2+]CCCC(C)(C)CO)c1cc(Br)cc(F)c1O ZINC000185537480 1126931124 /nfs/dbraw/zinc/93/11/24/1126931124.db2.gz KLEOOZSZIZZXDK-SNVBAGLBSA-N 1 2 348.256 3.743 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000623487698 1126965906 /nfs/dbraw/zinc/96/59/06/1126965906.db2.gz NLESPUZUYWNAAM-UHFFFAOYSA-N 1 2 348.393 3.792 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)on1 ZINC000177561679 1126983894 /nfs/dbraw/zinc/98/38/94/1126983894.db2.gz LHRROMWWYYHQNB-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)on1 ZINC000177561679 1126983897 /nfs/dbraw/zinc/98/38/97/1126983897.db2.gz LHRROMWWYYHQNB-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000179355805 1127058642 /nfs/dbraw/zinc/05/86/42/1127058642.db2.gz LUISOPDKIZNRIL-QGZVFWFLSA-N 1 2 347.484 3.514 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000179355805 1127058648 /nfs/dbraw/zinc/05/86/48/1127058648.db2.gz LUISOPDKIZNRIL-QGZVFWFLSA-N 1 2 347.484 3.514 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1cncs1 ZINC000350076698 1127062544 /nfs/dbraw/zinc/06/25/44/1127062544.db2.gz OPBGNLRLPKYEFK-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cncs1 ZINC000350076698 1127062549 /nfs/dbraw/zinc/06/25/49/1127062549.db2.gz OPBGNLRLPKYEFK-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO O=C(CNc1ccccc1Cl)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000623791891 1127165256 /nfs/dbraw/zinc/16/52/56/1127165256.db2.gz UNDSSBXZIKQAIV-UHFFFAOYSA-N 1 2 326.787 3.781 20 0 EHADLO Cc1csc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000623798149 1127173685 /nfs/dbraw/zinc/17/36/85/1127173685.db2.gz NCBXGWONYRYZMQ-CYBMUJFWSA-N 1 2 331.268 3.972 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000623798375 1127173962 /nfs/dbraw/zinc/17/39/62/1127173962.db2.gz SYBMTELZMCOBGY-CQSZACIVSA-N 1 2 331.268 3.972 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1CC ZINC000180615325 1127176667 /nfs/dbraw/zinc/17/66/67/1127176667.db2.gz CSDFVBNVGPPJEU-SFHVURJKSA-N 1 2 326.444 3.704 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(OC(C)(C)C)cc2)no1)n1cc[nH+]c1 ZINC000351419709 1127177608 /nfs/dbraw/zinc/17/76/08/1127177608.db2.gz WCEZBPYYNKGUPK-CYBMUJFWSA-N 1 2 326.400 3.914 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)[nH]c1C ZINC000623799058 1127180757 /nfs/dbraw/zinc/18/07/57/1127180757.db2.gz MZWBRXOXQGGJKL-AWEZNQCLSA-N 1 2 328.243 3.547 20 0 EHADLO Cc1[nH]c(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000623799058 1127180758 /nfs/dbraw/zinc/18/07/58/1127180758.db2.gz MZWBRXOXQGGJKL-AWEZNQCLSA-N 1 2 328.243 3.547 20 0 EHADLO c1ccc2c(c1)CN(c1cc[nH+]c(N3CCC[C@H]3c3cccnc3)n1)C2 ZINC000623820298 1127191292 /nfs/dbraw/zinc/19/12/92/1127191292.db2.gz RYCMFQMZOVMSCC-IBGZPJMESA-N 1 2 343.434 3.733 20 0 EHADLO C[C@@H](CN[C@@H]1CCCc2scnc21)[N@@H+]1CCc2ccccc2C1 ZINC000623875571 1127204093 /nfs/dbraw/zinc/20/40/93/1127204093.db2.gz OBUIHYZMEQRTFG-WMLDXEAASA-N 1 2 327.497 3.557 20 0 EHADLO C[C@@H](CN[C@@H]1CCCc2scnc21)[N@H+]1CCc2ccccc2C1 ZINC000623875571 1127204097 /nfs/dbraw/zinc/20/40/97/1127204097.db2.gz OBUIHYZMEQRTFG-WMLDXEAASA-N 1 2 327.497 3.557 20 0 EHADLO Cc1ccc(Br)cc1[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000623994157 1127229085 /nfs/dbraw/zinc/22/90/85/1127229085.db2.gz PTGYZUMUPKBEID-SNVBAGLBSA-N 1 2 342.668 3.995 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(Cl)cc1F ZINC000764010955 1127282109 /nfs/dbraw/zinc/28/21/09/1127282109.db2.gz YISZWCTWDNHCOR-AWEZNQCLSA-N 1 2 341.789 3.659 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000181653357 1127287692 /nfs/dbraw/zinc/28/76/92/1127287692.db2.gz QAFIWLRYCKUSHR-KRWDZBQOSA-N 1 2 326.371 3.958 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000181659541 1127287847 /nfs/dbraw/zinc/28/78/47/1127287847.db2.gz QLRADJMJQBTKKQ-SFHVURJKSA-N 1 2 343.377 3.628 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000181700726 1127290015 /nfs/dbraw/zinc/29/00/15/1127290015.db2.gz QBKDDDDKTZWLSJ-KRWDZBQOSA-N 1 2 328.460 3.807 20 0 EHADLO C[C@H](NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccn1C ZINC000182388662 1127327243 /nfs/dbraw/zinc/32/72/43/1127327243.db2.gz KSCCYWAAUPHOTH-WMLDXEAASA-N 1 2 332.879 3.561 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(-c3cccs3)no2)c1 ZINC000182535408 1127335802 /nfs/dbraw/zinc/33/58/02/1127335802.db2.gz PUPGRLXFCSESQV-LLVKDONJSA-N 1 2 342.424 3.607 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)c(C)[nH+]1 ZINC000183028326 1127359537 /nfs/dbraw/zinc/35/95/37/1127359537.db2.gz MPNVLRGJYDQTEG-UHFFFAOYSA-N 1 2 338.386 3.892 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2ccc(-n3cncn3)cc2)c[nH+]1 ZINC000183166227 1127365478 /nfs/dbraw/zinc/36/54/78/1127365478.db2.gz HFRKHWDLRUMXDP-OAHLLOKOSA-N 1 2 336.443 3.682 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184160247 1127396202 /nfs/dbraw/zinc/39/62/02/1127396202.db2.gz QSXDRTOFVODVDU-STQMWFEESA-N 1 2 333.457 3.528 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184476442 1127405793 /nfs/dbraw/zinc/40/57/93/1127405793.db2.gz TVFYSYGHOXWCGO-ZIAGYGMSSA-N 1 2 339.549 3.984 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1cccc2ccccc21 ZINC000184399874 1127403639 /nfs/dbraw/zinc/40/36/39/1127403639.db2.gz NNYPQOWNUZXWFY-KGLIPLIRSA-N 1 2 339.464 3.824 20 0 EHADLO CSc1c(F)cc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1F ZINC000184390128 1127403810 /nfs/dbraw/zinc/40/38/10/1127403810.db2.gz KIBKTAOWXLLNBV-UHFFFAOYSA-N 1 2 348.378 3.656 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000184502845 1127407326 /nfs/dbraw/zinc/40/73/26/1127407326.db2.gz VHKXUYOKYWCYIH-CYBMUJFWSA-N 1 2 343.496 3.681 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Cl)c1ccco1 ZINC000184580284 1127409102 /nfs/dbraw/zinc/40/91/02/1127409102.db2.gz MFZONHTZCHISGP-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Cl)c1ccco1 ZINC000184580300 1127409136 /nfs/dbraw/zinc/40/91/36/1127409136.db2.gz MFZONHTZCHISGP-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1SC)c1ccc(C)o1 ZINC000184728157 1127411874 /nfs/dbraw/zinc/41/18/74/1127411874.db2.gz WOQBTAWQHMLFNU-UKRRQHHQSA-N 1 2 348.468 3.614 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1ncc(C)s1)c1ccccc1 ZINC000185026898 1127418806 /nfs/dbraw/zinc/41/88/06/1127418806.db2.gz UJBBPRIMKUNDEQ-GDBMZVCRSA-N 1 2 331.485 3.760 20 0 EHADLO Cc1c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cnn1C1CCCCC1 ZINC000781169491 1127450895 /nfs/dbraw/zinc/45/08/95/1127450895.db2.gz UZTJFJLCQSXEFB-UHFFFAOYSA-N 1 2 341.459 3.718 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000194622720 1127463715 /nfs/dbraw/zinc/46/37/15/1127463715.db2.gz JPHSOQKGBWIUGX-JZXOWHBKSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)c(N(C)C)[nH+]1 ZINC000749984133 1127546246 /nfs/dbraw/zinc/54/62/46/1127546246.db2.gz XCUUYYOEASOONE-AWEZNQCLSA-N 1 2 327.453 3.674 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@@H]2C)nc1-c1ccccn1 ZINC000765017235 1127565921 /nfs/dbraw/zinc/56/59/21/1127565921.db2.gz ZMVGCKTUEWXTDB-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@@H]2C)nc1-c1ccccn1 ZINC000765017235 1127565922 /nfs/dbraw/zinc/56/59/22/1127565922.db2.gz ZMVGCKTUEWXTDB-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cncs1 ZINC000765437467 1127611495 /nfs/dbraw/zinc/61/14/95/1127611495.db2.gz MLBRQOYTBBTJIZ-YOEHRIQHSA-N 1 2 329.469 3.548 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000015296268 1127652133 /nfs/dbraw/zinc/65/21/33/1127652133.db2.gz SOECGIVXXZUCNY-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000015296268 1127652135 /nfs/dbraw/zinc/65/21/35/1127652135.db2.gz SOECGIVXXZUCNY-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000023666555 1127698907 /nfs/dbraw/zinc/69/89/07/1127698907.db2.gz OTXKKVPQOAAUTH-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000023666555 1127698909 /nfs/dbraw/zinc/69/89/09/1127698909.db2.gz OTXKKVPQOAAUTH-SNVBAGLBSA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000024050785 1127701746 /nfs/dbraw/zinc/70/17/46/1127701746.db2.gz KBLHKGOLPABROJ-GFCCVEGCSA-N 1 2 338.436 3.706 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000024245182 1127703654 /nfs/dbraw/zinc/70/36/54/1127703654.db2.gz OUQMRMINSIKTAN-QWHCGFSZSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2sccc2C1 ZINC000024245182 1127703657 /nfs/dbraw/zinc/70/36/57/1127703657.db2.gz OUQMRMINSIKTAN-QWHCGFSZSA-N 1 2 332.444 3.511 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000355547810 1127736360 /nfs/dbraw/zinc/73/63/60/1127736360.db2.gz QRJUHOIVOCECAS-ZJPYXAASSA-N 1 2 329.488 3.733 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3nccc4c3CCCC4)co2)c1 ZINC000921596634 1127761257 /nfs/dbraw/zinc/76/12/57/1127761257.db2.gz ZEUCHZJCFRVNEK-UHFFFAOYSA-N 1 2 325.437 3.967 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)n2)s1 ZINC000654760832 1127767106 /nfs/dbraw/zinc/76/71/06/1127767106.db2.gz YPAASBFYXUBRQK-JTQLQIEISA-N 1 2 346.481 3.974 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)n2)s1 ZINC000654760832 1127767108 /nfs/dbraw/zinc/76/71/08/1127767108.db2.gz YPAASBFYXUBRQK-JTQLQIEISA-N 1 2 346.481 3.974 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000671659861 1127766670 /nfs/dbraw/zinc/76/66/70/1127766670.db2.gz PUILHXDTQKABDN-KBPBESRZSA-N 1 2 344.480 3.918 20 0 EHADLO Clc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000028619997 1127790436 /nfs/dbraw/zinc/79/04/36/1127790436.db2.gz CPMSKHRCZRMBOD-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000043325043 1127918171 /nfs/dbraw/zinc/91/81/71/1127918171.db2.gz QVUSRMZNDGYKSL-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccccc1)C1CCCCC1 ZINC000172371414 1127918239 /nfs/dbraw/zinc/91/82/39/1127918239.db2.gz LVPAVOCHSAYDOK-UHFFFAOYSA-N 1 2 340.471 3.818 20 0 EHADLO CSc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000043857114 1127928327 /nfs/dbraw/zinc/92/83/27/1127928327.db2.gz OWPAINCCOSNBEF-UHFFFAOYSA-N 1 2 342.468 3.725 20 0 EHADLO Cc1cnn(-c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)c1 ZINC000044464212 1127937074 /nfs/dbraw/zinc/93/70/74/1127937074.db2.gz QGHXHPFMJJJMOT-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(NCc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044901880 1127943030 /nfs/dbraw/zinc/94/30/30/1127943030.db2.gz FKSSKLSXIIIMOC-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046343731 1127976171 /nfs/dbraw/zinc/97/61/71/1127976171.db2.gz GXNJEBVAJUKIOH-IAGOWNOFSA-N 1 2 338.451 3.857 20 0 EHADLO Cc1ccsc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341627 1127976466 /nfs/dbraw/zinc/97/64/66/1127976466.db2.gz RKDTZGRSYOSPBS-GASCZTMLSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1ccsc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341627 1127976470 /nfs/dbraw/zinc/97/64/70/1127976470.db2.gz RKDTZGRSYOSPBS-GASCZTMLSA-N 1 2 344.480 3.918 20 0 EHADLO Nc1cccc(N(c2ccccc2)c2ccc[nH+]c2N2CCOCC2)c1 ZINC001212364614 1128032073 /nfs/dbraw/zinc/03/20/73/1128032073.db2.gz MYZNIRULINOQIM-UHFFFAOYSA-N 1 2 346.434 3.970 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000057378076 1128045728 /nfs/dbraw/zinc/04/57/28/1128045728.db2.gz MMJPCFXGHXWVSN-MRXNPFEDSA-N 1 2 340.471 3.603 20 0 EHADLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000057376957 1128045844 /nfs/dbraw/zinc/04/58/44/1128045844.db2.gz GXBPAMQLRQTYGF-MRXNPFEDSA-N 1 2 334.851 3.767 20 0 EHADLO COc1cc(Cl)ccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058958502 1128086644 /nfs/dbraw/zinc/08/66/44/1128086644.db2.gz SGSPTPHDSFDGFW-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO CC(C)(C)c1ccc(SCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000060408105 1128101005 /nfs/dbraw/zinc/10/10/05/1128101005.db2.gz ZKDVCIQGAPOPSU-UHFFFAOYSA-N 1 2 345.512 3.869 20 0 EHADLO O=C(NCc1ccc(Cl)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060616738 1128110413 /nfs/dbraw/zinc/11/04/13/1128110413.db2.gz XPCAOLSCYMEMBT-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000061758984 1128128234 /nfs/dbraw/zinc/12/82/34/1128128234.db2.gz HTVIQTFGQLCFJA-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000061758984 1128128235 /nfs/dbraw/zinc/12/82/35/1128128235.db2.gz HTVIQTFGQLCFJA-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccco1 ZINC000347618703 1128147624 /nfs/dbraw/zinc/14/76/24/1128147624.db2.gz XOMRKXCCRJEHRP-HZPDHXFCSA-N 1 2 330.428 3.509 20 0 EHADLO COc1ccc2cc([C@H](C)C(=O)NCCNc3cccc[nH+]3)ccc2c1 ZINC000063706685 1128152830 /nfs/dbraw/zinc/15/28/30/1128152830.db2.gz GCJNAFHOGSLISL-HNNXBMFYSA-N 1 2 349.434 3.575 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCSCc3ccccn3)cc2[nH+]1 ZINC000063915210 1128160141 /nfs/dbraw/zinc/16/01/41/1128160141.db2.gz MWQHUNXQIAYAJE-UHFFFAOYSA-N 1 2 326.425 3.528 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC000671749381 1128198336 /nfs/dbraw/zinc/19/83/36/1128198336.db2.gz PRCVATQDQOEUIW-CQSZACIVSA-N 1 2 345.855 3.849 20 0 EHADLO C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000065722759 1128198947 /nfs/dbraw/zinc/19/89/47/1128198947.db2.gz ZUCFLMLTFLCNEO-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000065603611 1128195961 /nfs/dbraw/zinc/19/59/61/1128195961.db2.gz LXQLGCHDPSBDGM-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000065603611 1128195963 /nfs/dbraw/zinc/19/59/63/1128195963.db2.gz LXQLGCHDPSBDGM-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nc(CC(F)(F)F)no3)CCCC2)cc1 ZINC000072607039 1128302875 /nfs/dbraw/zinc/30/28/75/1128302875.db2.gz CVVLNRSJVATDIW-UHFFFAOYSA-N 1 2 343.324 3.873 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000073018820 1128313955 /nfs/dbraw/zinc/31/39/55/1128313955.db2.gz ICBPQKAMAAFIGI-GOSISDBHSA-N 1 2 339.826 3.637 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000073809724 1128329361 /nfs/dbraw/zinc/32/93/61/1128329361.db2.gz FYTSOHGUJHNCDO-UHFFFAOYSA-N 1 2 344.459 3.910 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000073809623 1128329405 /nfs/dbraw/zinc/32/94/05/1128329405.db2.gz JKDXAOXJZDEYCT-IBGZPJMESA-N 1 2 340.471 3.909 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000368931484 1128356924 /nfs/dbraw/zinc/35/69/24/1128356924.db2.gz IROVFRSXNRYBCE-BQFCYCMXSA-N 1 2 340.471 3.501 20 0 EHADLO CN(CC1(C)COC1)c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000624528667 1128387041 /nfs/dbraw/zinc/38/70/41/1128387041.db2.gz HANQGLAHTSBZMJ-UHFFFAOYSA-N 1 2 339.208 3.609 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3csc(C(F)(F)F)c3)n2)C1 ZINC000624549549 1128391411 /nfs/dbraw/zinc/39/14/11/1128391411.db2.gz CXAOFBIEXSBXAM-SNVBAGLBSA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3csc(C(F)(F)F)c3)n2)C1 ZINC000624549549 1128391416 /nfs/dbraw/zinc/39/14/16/1128391416.db2.gz CXAOFBIEXSBXAM-SNVBAGLBSA-N 1 2 347.362 3.599 20 0 EHADLO CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921655038 1128436840 /nfs/dbraw/zinc/43/68/40/1128436840.db2.gz HQVLFAOVWGZJFN-IAGOWNOFSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1cc(C)n(CCC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)n1 ZINC000921673500 1128454880 /nfs/dbraw/zinc/45/48/80/1128454880.db2.gz YYHFJJNNMWLXMW-UHFFFAOYSA-N 1 2 337.427 3.536 20 0 EHADLO CC1(C)Cc2cc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000268320664 1128494176 /nfs/dbraw/zinc/49/41/76/1128494176.db2.gz JWULRCYUKMDOOO-ZDUSSCGKSA-N 1 2 340.427 3.535 20 0 EHADLO OCC[C@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccc(Cl)cc1 ZINC000347637952 1128502641 /nfs/dbraw/zinc/50/26/41/1128502641.db2.gz JELXXIMQUFHSTR-AWEZNQCLSA-N 1 2 334.778 3.834 20 0 EHADLO Cc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccn1C(C)C ZINC000338679606 1128506165 /nfs/dbraw/zinc/50/61/65/1128506165.db2.gz CALKZALNUIHAAH-UHFFFAOYSA-N 1 2 336.439 3.552 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265716470 1128521298 /nfs/dbraw/zinc/52/12/98/1128521298.db2.gz XMUNQLIXKXSKPW-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(-c3ccccc3F)cs1)CCC2 ZINC000338685576 1128526298 /nfs/dbraw/zinc/52/62/98/1128526298.db2.gz NZDCFQKOTPCJTC-CYBMUJFWSA-N 1 2 342.443 3.866 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cncc(-c3cccs3)n1)CCC2 ZINC000338685887 1128526925 /nfs/dbraw/zinc/52/69/25/1128526925.db2.gz YHKSYFKKEVICQO-ZDUSSCGKSA-N 1 2 325.441 3.700 20 0 EHADLO Clc1nc2ccccc2cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000765866830 1128625896 /nfs/dbraw/zinc/62/58/96/1128625896.db2.gz UYQZPRPADNAISS-UHFFFAOYSA-N 1 2 341.842 3.799 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000057424902 1128638491 /nfs/dbraw/zinc/63/84/91/1128638491.db2.gz IRZUBWHGDNTPOW-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO COC(=O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205036353 1128679870 /nfs/dbraw/zinc/67/98/70/1128679870.db2.gz HXGXQLFOMJLMCZ-UHFFFAOYSA-N 1 2 335.753 3.744 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1F ZINC000428838883 1128690541 /nfs/dbraw/zinc/69/05/41/1128690541.db2.gz IZGGKSGQBQKZCJ-CQSZACIVSA-N 1 2 344.434 3.570 20 0 EHADLO Clc1cc(Cl)cc(OCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000303907703 1128706956 /nfs/dbraw/zinc/70/69/56/1128706956.db2.gz MHGQPZMHRBMEAD-LBPRGKRZSA-N 1 2 340.254 3.975 20 0 EHADLO Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000303907703 1128706959 /nfs/dbraw/zinc/70/69/59/1128706959.db2.gz MHGQPZMHRBMEAD-LBPRGKRZSA-N 1 2 340.254 3.975 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338723160 1128761789 /nfs/dbraw/zinc/76/17/89/1128761789.db2.gz FDWXGXHGAWVESJ-AWEZNQCLSA-N 1 2 341.789 3.975 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338723160 1128761792 /nfs/dbraw/zinc/76/17/92/1128761792.db2.gz FDWXGXHGAWVESJ-AWEZNQCLSA-N 1 2 341.789 3.975 20 0 EHADLO Cc1ccccc1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073500394 1128769672 /nfs/dbraw/zinc/76/96/72/1128769672.db2.gz BAFZFHRHWFRXFS-IBGZPJMESA-N 1 2 348.450 3.512 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000672118622 1128773891 /nfs/dbraw/zinc/77/38/91/1128773891.db2.gz KJCUQMMUAOBTSH-FQEVSTJZSA-N 1 2 325.456 3.634 20 0 EHADLO CC(C)(C)CC(=O)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672160832 1128822983 /nfs/dbraw/zinc/82/29/83/1128822983.db2.gz WAMSMUXPIVIMKX-UHFFFAOYSA-N 1 2 345.874 3.973 20 0 EHADLO COc1ccc(Br)c(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000672167845 1128826596 /nfs/dbraw/zinc/82/65/96/1128826596.db2.gz OGBYLKVUUAHXBY-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000542913585 1128834691 /nfs/dbraw/zinc/83/46/91/1128834691.db2.gz NYBKXGDLLASVKB-GOSISDBHSA-N 1 2 340.398 3.866 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC000672190222 1128839213 /nfs/dbraw/zinc/83/92/13/1128839213.db2.gz LLVKDGVYIAATCE-KRWDZBQOSA-N 1 2 331.504 3.893 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)[C@@H](C)C1 ZINC000672189845 1128841023 /nfs/dbraw/zinc/84/10/23/1128841023.db2.gz IZFQVXZWPKKASK-HNNXBMFYSA-N 1 2 343.496 3.593 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)[C@@H](C)C1 ZINC000672189845 1128841029 /nfs/dbraw/zinc/84/10/29/1128841029.db2.gz IZFQVXZWPKKASK-HNNXBMFYSA-N 1 2 343.496 3.593 20 0 EHADLO c1coc(-c2nc(C[NH2+]Cc3nccc4c3CCCC4)cs2)c1 ZINC000921853414 1128841570 /nfs/dbraw/zinc/84/15/70/1128841570.db2.gz HNQLBZBHJYSINL-UHFFFAOYSA-N 1 2 325.437 3.967 20 0 EHADLO c1coc(-c2nc(C[NH2+]Cc3cnn(CC4CCC4)c3)cs2)c1 ZINC000921855252 1128847652 /nfs/dbraw/zinc/84/76/52/1128847652.db2.gz RNFUTODICHRNBL-UHFFFAOYSA-N 1 2 328.441 3.690 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338756735 1128875857 /nfs/dbraw/zinc/87/58/57/1128875857.db2.gz VEVRZMGYUHGEQR-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338758397 1128882723 /nfs/dbraw/zinc/88/27/23/1128882723.db2.gz XVDSCVBAGWJFOD-UHFFFAOYSA-N 1 2 346.793 3.703 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cs1 ZINC000111406767 1120017902 /nfs/dbraw/zinc/01/79/02/1120017902.db2.gz FMLJZXFNXMEWDW-LLVKDONJSA-N 1 2 336.457 3.582 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cs1 ZINC000111406942 1120019468 /nfs/dbraw/zinc/01/94/68/1120019468.db2.gz ZVEDYBILIZTUBP-GFCCVEGCSA-N 1 2 330.432 3.881 20 0 EHADLO CCc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c2ccccc2n1 ZINC001670602550 1120090642 /nfs/dbraw/zinc/09/06/42/1120090642.db2.gz KEKLDLSOQOFDFU-UHFFFAOYSA-N 1 2 334.423 3.553 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H]2CC=CCC2)c1C ZINC001687324963 1120128876 /nfs/dbraw/zinc/12/88/76/1120128876.db2.gz BYMWLITXESBYRZ-INIZCTEOSA-N 1 2 331.460 3.595 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129533270 1120147552 /nfs/dbraw/zinc/14/75/52/1120147552.db2.gz PUZYNPOCFOEJEY-UHFFFAOYSA-N 1 2 348.809 3.618 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687361105 1120176040 /nfs/dbraw/zinc/17/60/40/1120176040.db2.gz PKYPOCSNFYNENE-YWZLYKJASA-N 1 2 335.451 3.502 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687361105 1120176042 /nfs/dbraw/zinc/17/60/42/1120176042.db2.gz PKYPOCSNFYNENE-YWZLYKJASA-N 1 2 335.451 3.502 20 0 EHADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000176987037 1120309986 /nfs/dbraw/zinc/30/99/86/1120309986.db2.gz NIYQOFIINIRIKQ-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000176987037 1120309990 /nfs/dbraw/zinc/30/99/90/1120309990.db2.gz NIYQOFIINIRIKQ-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO Cc1ccccc1Cc1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000904648080 1120353054 /nfs/dbraw/zinc/35/30/54/1120353054.db2.gz VLIYOKNDECNZLA-UHFFFAOYSA-N 1 2 330.391 3.745 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000355318064 1128910769 /nfs/dbraw/zinc/91/07/69/1128910769.db2.gz NDESJJGFQKCUPY-KGLIPLIRSA-N 1 2 345.409 3.663 20 0 EHADLO O=C(CC1CCCCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175398700 1120371638 /nfs/dbraw/zinc/37/16/38/1120371638.db2.gz IKNMMTJEJGXQDH-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CC(C)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000076276335 1128913332 /nfs/dbraw/zinc/91/33/32/1128913332.db2.gz ZZQAHBVSPJWLHS-UHFFFAOYSA-N 1 2 337.055 3.663 20 0 EHADLO CC(C)CCn1cccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000185609868 1120421222 /nfs/dbraw/zinc/42/12/22/1120421222.db2.gz YWDUSUPZDOZDIG-QGZVFWFLSA-N 1 2 346.544 3.870 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185648006 1120423836 /nfs/dbraw/zinc/42/38/36/1120423836.db2.gz OOJUOTYHCNMYHV-HNNXBMFYSA-N 1 2 338.224 3.957 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185648006 1120423837 /nfs/dbraw/zinc/42/38/37/1120423837.db2.gz OOJUOTYHCNMYHV-HNNXBMFYSA-N 1 2 338.224 3.957 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185711366 1120426464 /nfs/dbraw/zinc/42/64/64/1120426464.db2.gz KPOQZSQWAXZTBM-RDBAUFEQSA-N 1 2 344.499 3.917 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)c2c(O)cccc21 ZINC000186316331 1120455178 /nfs/dbraw/zinc/45/51/78/1120455178.db2.gz QYZKKAOTYOBMGT-CQSZACIVSA-N 1 2 333.391 3.732 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccccc1Br)n2C ZINC000187584118 1120504377 /nfs/dbraw/zinc/50/43/77/1120504377.db2.gz RDCJIIVHDAYVBO-UHFFFAOYSA-N 1 2 344.256 3.934 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000494236335 1120512466 /nfs/dbraw/zinc/51/24/66/1120512466.db2.gz CMOZJCFWQUDDFK-YHKKIHSWSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000494236335 1120512470 /nfs/dbraw/zinc/51/24/70/1120512470.db2.gz CMOZJCFWQUDDFK-YHKKIHSWSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000153030434 1120536142 /nfs/dbraw/zinc/53/61/42/1120536142.db2.gz RBLVPAZSINVZDT-IKESIWSLSA-N 1 2 341.842 3.533 20 0 EHADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000494450588 1120562236 /nfs/dbraw/zinc/56/22/36/1120562236.db2.gz FGKTWXMUBRKOKY-UHFFFAOYSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000494685063 1120720886 /nfs/dbraw/zinc/72/08/86/1120720886.db2.gz MAANKRRQXYEFNP-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494702788 1120726241 /nfs/dbraw/zinc/72/62/41/1120726241.db2.gz KHKFDMQEUAAMJX-GDBMZVCRSA-N 1 2 348.512 3.627 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494702788 1120726246 /nfs/dbraw/zinc/72/62/46/1120726246.db2.gz KHKFDMQEUAAMJX-GDBMZVCRSA-N 1 2 348.512 3.627 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccccc1C ZINC000192258872 1120727642 /nfs/dbraw/zinc/72/76/42/1120727642.db2.gz BMWZAWIQCIZERQ-UHFFFAOYSA-N 1 2 341.499 3.970 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000152597594 1120743183 /nfs/dbraw/zinc/74/31/83/1120743183.db2.gz SJEYNXCPOHRLIB-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000152597594 1120743185 /nfs/dbraw/zinc/74/31/85/1120743185.db2.gz SJEYNXCPOHRLIB-ZDUSSCGKSA-N 1 2 330.453 3.800 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3nc(C(C)(C)C)no3)c2c1 ZINC000193069371 1120757756 /nfs/dbraw/zinc/75/77/56/1120757756.db2.gz AZAKGWNMIGCTKD-UHFFFAOYSA-N 1 2 327.384 3.811 20 0 EHADLO Cc1nc2ccccc2cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193366256 1120773084 /nfs/dbraw/zinc/77/30/84/1120773084.db2.gz YVYMIRJPPQKNLR-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000195739221 1120814648 /nfs/dbraw/zinc/81/46/48/1120814648.db2.gz ZJSKUHQKDRGYNH-BHIYHBOVSA-N 1 2 346.540 3.719 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194062760 1120819384 /nfs/dbraw/zinc/81/93/84/1120819384.db2.gz WJBZNGFFVGVNPO-CYBMUJFWSA-N 1 2 348.397 3.564 20 0 EHADLO OC[C@]1(F)CC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000670111377 1120880139 /nfs/dbraw/zinc/88/01/39/1120880139.db2.gz VNLLKCLXWHSIAG-INIZCTEOSA-N 1 2 338.220 3.509 20 0 EHADLO OC[C@]1(F)CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000670111377 1120880133 /nfs/dbraw/zinc/88/01/33/1120880133.db2.gz VNLLKCLXWHSIAG-INIZCTEOSA-N 1 2 338.220 3.509 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccc2)o1 ZINC000929835353 1120882367 /nfs/dbraw/zinc/88/23/67/1120882367.db2.gz BBTNKBRCPSAKFN-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccc2)o1 ZINC000929835353 1120882369 /nfs/dbraw/zinc/88/23/69/1120882369.db2.gz BBTNKBRCPSAKFN-UHFFFAOYSA-N 1 2 326.396 3.892 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000914566862 1120902078 /nfs/dbraw/zinc/90/20/78/1120902078.db2.gz NYAPUWVWQWMAOI-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000914566862 1120902081 /nfs/dbraw/zinc/90/20/81/1120902081.db2.gz NYAPUWVWQWMAOI-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C)[C@H](C)C(C)(C)C)c2=S)c(C)c1 ZINC000914568376 1120902672 /nfs/dbraw/zinc/90/26/72/1120902672.db2.gz FZAAOTRXIFUOAQ-CQSZACIVSA-N 1 2 333.505 3.739 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C)[C@H](C)C(C)(C)C)c2=S)c(C)c1 ZINC000914568376 1120902674 /nfs/dbraw/zinc/90/26/74/1120902674.db2.gz FZAAOTRXIFUOAQ-CQSZACIVSA-N 1 2 333.505 3.739 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153328069 1120963851 /nfs/dbraw/zinc/96/38/51/1120963851.db2.gz RKXDBUPDDLSMLW-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153328069 1120963855 /nfs/dbraw/zinc/96/38/55/1120963855.db2.gz RKXDBUPDDLSMLW-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO CC(C)C[N@H+](Cn1[nH]c(-c2ccccn2)nc1=S)CC(C)(C)C ZINC000761832632 1120975091 /nfs/dbraw/zinc/97/50/91/1120975091.db2.gz WNHMBKNCUINJGO-UHFFFAOYSA-N 1 2 333.505 3.964 20 0 EHADLO CC(C)C[N@@H+](Cn1[nH]c(-c2ccccn2)nc1=S)CC(C)(C)C ZINC000761832632 1120975095 /nfs/dbraw/zinc/97/50/95/1120975095.db2.gz WNHMBKNCUINJGO-UHFFFAOYSA-N 1 2 333.505 3.964 20 0 EHADLO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000232399430 1121112507 /nfs/dbraw/zinc/11/25/07/1121112507.db2.gz CBJUSTACQWLRCY-PBINXNQUSA-N 1 2 329.227 3.558 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000762138339 1121127073 /nfs/dbraw/zinc/12/70/73/1121127073.db2.gz MAKGLFDAPJWZQF-CQSZACIVSA-N 1 2 328.485 3.840 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000762138339 1121127076 /nfs/dbraw/zinc/12/70/76/1121127076.db2.gz MAKGLFDAPJWZQF-CQSZACIVSA-N 1 2 328.485 3.840 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762139344 1121127143 /nfs/dbraw/zinc/12/71/43/1121127143.db2.gz PKQOFCKSJLFWPG-CQSZACIVSA-N 1 2 344.484 3.634 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762139344 1121127145 /nfs/dbraw/zinc/12/71/45/1121127145.db2.gz PKQOFCKSJLFWPG-CQSZACIVSA-N 1 2 344.484 3.634 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000542974709 1128970855 /nfs/dbraw/zinc/97/08/55/1128970855.db2.gz HXZYZSWDKVFTQE-OAHLLOKOSA-N 1 2 332.469 3.673 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000915210175 1121254736 /nfs/dbraw/zinc/25/47/36/1121254736.db2.gz WKDJJRXEMRNEQE-UAGQMJEPSA-N 1 2 340.467 3.691 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000915210175 1121254740 /nfs/dbraw/zinc/25/47/40/1121254740.db2.gz WKDJJRXEMRNEQE-UAGQMJEPSA-N 1 2 340.467 3.691 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(C(C)(C)O)cc1 ZINC000925423080 1121304307 /nfs/dbraw/zinc/30/43/07/1121304307.db2.gz ZLKSTFOREQFHFM-SJCJKPOMSA-N 1 2 335.394 3.576 20 0 EHADLO Cc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000032404456 1121336989 /nfs/dbraw/zinc/33/69/89/1121336989.db2.gz GVKPOLWVTRFHHG-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO CCC[N@H+](Cc1nnnn1C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000053643508 1121362745 /nfs/dbraw/zinc/36/27/45/1121362745.db2.gz OVVDKMWNDBKGGC-CYBMUJFWSA-N 1 2 325.416 3.727 20 0 EHADLO CCC[N@@H+](Cc1nnnn1C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000053643508 1121362752 /nfs/dbraw/zinc/36/27/52/1121362752.db2.gz OVVDKMWNDBKGGC-CYBMUJFWSA-N 1 2 325.416 3.727 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499541030 1128980990 /nfs/dbraw/zinc/98/09/90/1128980990.db2.gz PXLPCLTUFVTDPD-ZBFHGGJFSA-N 1 2 328.460 3.691 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499541027 1128981098 /nfs/dbraw/zinc/98/10/98/1128981098.db2.gz PXLPCLTUFVTDPD-GDBMZVCRSA-N 1 2 328.460 3.691 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]CCOC3CCC3)c3ccccc3)n2)cc1 ZINC000762641875 1121391448 /nfs/dbraw/zinc/39/14/48/1121391448.db2.gz RGFGYPCZLYDJGI-IBGZPJMESA-N 1 2 349.434 3.985 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000495751236 1121400727 /nfs/dbraw/zinc/40/07/27/1121400727.db2.gz XFZOGJNBUJMUOR-CQSZACIVSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000495751236 1121400731 /nfs/dbraw/zinc/40/07/31/1121400731.db2.gz XFZOGJNBUJMUOR-CQSZACIVSA-N 1 2 337.489 3.510 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1nnc2n1CCCCC2 ZINC001649015530 1121449245 /nfs/dbraw/zinc/44/92/45/1121449245.db2.gz RAHKUEDPQGJKMM-CQSZACIVSA-N 1 2 338.377 3.663 20 0 EHADLO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C1CC1 ZINC000915508446 1121531431 /nfs/dbraw/zinc/53/14/31/1121531431.db2.gz ZVPSSENJIHBHGO-HNNXBMFYSA-N 1 2 342.512 3.813 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026190767 1121647771 /nfs/dbraw/zinc/64/77/71/1121647771.db2.gz LNQNRFYIVDSZLS-OAHLLOKOSA-N 1 2 349.434 3.702 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026190767 1121647780 /nfs/dbraw/zinc/64/77/80/1121647780.db2.gz LNQNRFYIVDSZLS-OAHLLOKOSA-N 1 2 349.434 3.702 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000763054770 1121668330 /nfs/dbraw/zinc/66/83/30/1121668330.db2.gz MALDMHXZVRLJJL-MRXNPFEDSA-N 1 2 327.403 3.618 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C(F)(F)F)cc3)[nH+]c12 ZINC000041284339 1121701847 /nfs/dbraw/zinc/70/18/47/1121701847.db2.gz IAAYZVQRWIXAHX-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000055057967 1121792890 /nfs/dbraw/zinc/79/28/90/1121792890.db2.gz KKPUVJDVIHUEMT-UHFFFAOYSA-N 1 2 328.456 3.847 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000055057967 1121792896 /nfs/dbraw/zinc/79/28/96/1121792896.db2.gz KKPUVJDVIHUEMT-UHFFFAOYSA-N 1 2 328.456 3.847 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCC(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000055230169 1121808586 /nfs/dbraw/zinc/80/85/86/1121808586.db2.gz OMZYXDWPPVQVLE-UHFFFAOYSA-N 1 2 325.343 3.612 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000763188551 1121819977 /nfs/dbraw/zinc/81/99/77/1121819977.db2.gz RJTIVKXVPJJRPZ-UHFFFAOYSA-N 1 2 332.835 3.893 20 0 EHADLO O=C(CCc1ccc(Cl)s1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697001 1121858037 /nfs/dbraw/zinc/85/80/37/1121858037.db2.gz HVPJVAMEWUADQB-UHFFFAOYSA-N 1 2 345.855 3.836 20 0 EHADLO COc1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1OC(F)F ZINC000656685995 1129017188 /nfs/dbraw/zinc/01/71/88/1129017188.db2.gz NPPISPJLJSFSPU-UHFFFAOYSA-N 1 2 325.277 3.681 20 0 EHADLO FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000670273212 1121924868 /nfs/dbraw/zinc/92/48/68/1121924868.db2.gz JRXDFPRCVMEBFD-QMMMGPOBSA-N 1 2 327.705 3.755 20 0 EHADLO FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000670273212 1121924874 /nfs/dbraw/zinc/92/48/74/1121924874.db2.gz JRXDFPRCVMEBFD-QMMMGPOBSA-N 1 2 327.705 3.755 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nc(-c2ccncc2)n1C1CC1 ZINC000763334636 1121967563 /nfs/dbraw/zinc/96/75/63/1121967563.db2.gz UOCXFBQKXQNEKN-HNNXBMFYSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nc(-c2ccncc2)n1C1CC1 ZINC000763334636 1121967565 /nfs/dbraw/zinc/96/75/65/1121967565.db2.gz UOCXFBQKXQNEKN-HNNXBMFYSA-N 1 2 341.484 3.500 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC3CCCCC3)cn2c1 ZINC000496183014 1121995999 /nfs/dbraw/zinc/99/59/99/1121995999.db2.gz HRYYXUBVVKOJCQ-UHFFFAOYSA-N 1 2 345.512 3.963 20 0 EHADLO Cc1ccccc1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023213 1122024857 /nfs/dbraw/zinc/02/48/57/1122024857.db2.gz GRWJLGAKJFYLAH-UHFFFAOYSA-N 1 2 340.496 3.867 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000496513869 1122109687 /nfs/dbraw/zinc/10/96/87/1122109687.db2.gz PNUZSUGXIXIIBY-UHFFFAOYSA-N 1 2 348.340 3.507 20 0 EHADLO O=C(Oc1ccc2ccncc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916356958 1122134514 /nfs/dbraw/zinc/13/45/14/1122134514.db2.gz SJWGHCFTZDSXJC-UHFFFAOYSA-N 1 2 329.359 3.699 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cn(-c2ccccc2)nn1 ZINC000154117404 1122242777 /nfs/dbraw/zinc/24/27/77/1122242777.db2.gz BIWGRBJFSIEHDH-ZDUSSCGKSA-N 1 2 341.484 3.872 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000063311607 1122279550 /nfs/dbraw/zinc/27/95/50/1122279550.db2.gz SWYKZBSUAUFGIU-HXUWFJFHSA-N 1 2 332.403 3.795 20 0 EHADLO c1cnn(Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125632866 1122322627 /nfs/dbraw/zinc/32/26/27/1122322627.db2.gz PECKZGFWPMQHGQ-FQEVSTJZSA-N 1 2 343.434 3.534 20 0 EHADLO COC(=O)Nc1cccc(NC(=O)NCc2c[nH+]c(C)cc2C)c1C ZINC000497193926 1122361596 /nfs/dbraw/zinc/36/15/96/1122361596.db2.gz NKFYLZIOVHUADS-UHFFFAOYSA-N 1 2 342.399 3.507 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(C)[nH+]1 ZINC000497260822 1122427256 /nfs/dbraw/zinc/42/72/56/1122427256.db2.gz KQDPASCCWRPUQK-HUUCEWRRSA-N 1 2 347.459 3.591 20 0 EHADLO Cc1nc2ccccc2n1CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000127114886 1122462895 /nfs/dbraw/zinc/46/28/95/1122462895.db2.gz FQFGGJTZFPVKFN-UHFFFAOYSA-N 1 2 345.406 3.559 20 0 EHADLO CN(CC1C[NH+](Cc2csc(Cl)c2)C1)C(=O)OC(C)(C)C ZINC001142760352 1122465849 /nfs/dbraw/zinc/46/58/49/1122465849.db2.gz PVFGEZVUABRJRZ-UHFFFAOYSA-N 1 2 330.881 3.700 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000127376721 1122480376 /nfs/dbraw/zinc/48/03/76/1122480376.db2.gz CZIAWYIQRJVCOQ-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000127376721 1122480378 /nfs/dbraw/zinc/48/03/78/1122480378.db2.gz CZIAWYIQRJVCOQ-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000066940094 1122491815 /nfs/dbraw/zinc/49/18/15/1122491815.db2.gz XQTTVJCQSVNYKS-MEBBXXQBSA-N 1 2 340.320 3.722 20 0 EHADLO C/C=C/c1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000497370203 1122513230 /nfs/dbraw/zinc/51/32/30/1122513230.db2.gz NDLRYHXMUAKWLO-NJELEJDNSA-N 1 2 338.455 3.940 20 0 EHADLO CC(C)[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)c2ccccc2C1=O ZINC000917462425 1122608697 /nfs/dbraw/zinc/60/86/97/1122608697.db2.gz KAKXCBWEOHMVBJ-UHFFFAOYSA-N 1 2 342.826 3.804 20 0 EHADLO CC(C)[N@H+](Cc1cccc(Cl)c1)CN1C(=O)c2ccccc2C1=O ZINC000917462425 1122608701 /nfs/dbraw/zinc/60/87/01/1122608701.db2.gz KAKXCBWEOHMVBJ-UHFFFAOYSA-N 1 2 342.826 3.804 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000917483618 1122614297 /nfs/dbraw/zinc/61/42/97/1122614297.db2.gz VTMYVNCDODMBIC-GOSISDBHSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000917483618 1122614299 /nfs/dbraw/zinc/61/42/99/1122614299.db2.gz VTMYVNCDODMBIC-GOSISDBHSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1ccc(-c2nc(C(=O)NNc3cc[nH+]cc3Cl)cs2)cc1 ZINC000154509849 1122677816 /nfs/dbraw/zinc/67/78/16/1122677816.db2.gz BEYPIQCADXZDGT-UHFFFAOYSA-N 1 2 344.827 3.924 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000069069124 1122749898 /nfs/dbraw/zinc/74/98/98/1122749898.db2.gz WPUXZKARIGPMGL-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000069069124 1122749902 /nfs/dbraw/zinc/74/99/02/1122749902.db2.gz WPUXZKARIGPMGL-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000129594951 1122808631 /nfs/dbraw/zinc/80/86/31/1122808631.db2.gz VCHBEDQINYXKBG-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000609280861 1122832789 /nfs/dbraw/zinc/83/27/89/1122832789.db2.gz RDNXAECNBGKOMR-INIZCTEOSA-N 1 2 329.396 3.802 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000609280861 1122832791 /nfs/dbraw/zinc/83/27/91/1122832791.db2.gz RDNXAECNBGKOMR-INIZCTEOSA-N 1 2 329.396 3.802 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc3ccccc3c2)C1 ZINC000445025860 1122956094 /nfs/dbraw/zinc/95/60/94/1122956094.db2.gz UMMSUFIVDBTNKF-IBGZPJMESA-N 1 2 348.450 3.663 20 0 EHADLO CC(C)(CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000498544506 1122966252 /nfs/dbraw/zinc/96/62/52/1122966252.db2.gz SCAXNMKDMLRRHF-UHFFFAOYSA-N 1 2 328.460 3.740 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCn1cc(Br)cn1 ZINC000312419569 1129091029 /nfs/dbraw/zinc/09/10/29/1129091029.db2.gz TTYAVWDXHGLAEM-UHFFFAOYSA-N 1 2 331.217 3.614 20 0 EHADLO CC[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1(C(=O)OC)CCC1 ZINC000498639400 1123001522 /nfs/dbraw/zinc/00/15/22/1123001522.db2.gz RLXRKYKEXUHIJH-MRXNPFEDSA-N 1 2 331.460 3.606 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)c1C ZINC000130824704 1123006095 /nfs/dbraw/zinc/00/60/95/1123006095.db2.gz ZRGSNJVSZYLGTO-SFHVURJKSA-N 1 2 344.455 3.884 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc(COC)o2)c1C ZINC000130824704 1123006099 /nfs/dbraw/zinc/00/60/99/1123006099.db2.gz ZRGSNJVSZYLGTO-SFHVURJKSA-N 1 2 344.455 3.884 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000113950035 1129094387 /nfs/dbraw/zinc/09/43/87/1129094387.db2.gz RPKXEWGRDJGPPS-PSASIEDQSA-N 1 2 346.456 3.618 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CC[NH+](C4CC4)CC3)cc2C1 ZINC000072043744 1123036947 /nfs/dbraw/zinc/03/69/47/1123036947.db2.gz JBZPMBXUURGISX-OAHLLOKOSA-N 1 2 346.540 3.819 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)c1 ZINC000556619954 1123063675 /nfs/dbraw/zinc/06/36/75/1123063675.db2.gz YPNBUWLORWBJJQ-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)c1 ZINC000556619954 1123063681 /nfs/dbraw/zinc/06/36/81/1123063681.db2.gz YPNBUWLORWBJJQ-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO CC[N@H+](CC(=O)N1CC[C@@H](c2ccco2)C1)Cc1ccccc1Cl ZINC000672882211 1129097752 /nfs/dbraw/zinc/09/77/52/1129097752.db2.gz HIUXKDJOXGADTK-MRXNPFEDSA-N 1 2 346.858 3.771 20 0 EHADLO CC[N@@H+](CC(=O)N1CC[C@@H](c2ccco2)C1)Cc1ccccc1Cl ZINC000672882211 1129097756 /nfs/dbraw/zinc/09/77/56/1129097756.db2.gz HIUXKDJOXGADTK-MRXNPFEDSA-N 1 2 346.858 3.771 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)c1 ZINC000010226459 1123103045 /nfs/dbraw/zinc/10/30/45/1123103045.db2.gz YMUFOJKFIGNMPX-IBGZPJMESA-N 1 2 342.414 3.918 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)c1 ZINC000010226459 1123103049 /nfs/dbraw/zinc/10/30/49/1123103049.db2.gz YMUFOJKFIGNMPX-IBGZPJMESA-N 1 2 342.414 3.918 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000919674084 1123114496 /nfs/dbraw/zinc/11/44/96/1123114496.db2.gz GAXHHOZRUNIXPV-OAQYLSRUSA-N 1 2 349.430 3.548 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000919674084 1123114498 /nfs/dbraw/zinc/11/44/98/1123114498.db2.gz GAXHHOZRUNIXPV-OAQYLSRUSA-N 1 2 349.430 3.548 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000072599381 1123127162 /nfs/dbraw/zinc/12/71/62/1123127162.db2.gz HNFPXRUCWFVRJE-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214664 1123130975 /nfs/dbraw/zinc/13/09/75/1123130975.db2.gz NEQKYOITMFCYNB-QUCCMNQESA-N 1 2 337.467 3.883 20 0 EHADLO CC(C)n1ccc(CNc2[nH+]ccc3cc(Br)ccc32)n1 ZINC000556839873 1123144871 /nfs/dbraw/zinc/14/48/71/1123144871.db2.gz ZDXXAFDBGFIRPF-UHFFFAOYSA-N 1 2 345.244 3.809 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1nccs1 ZINC000132120210 1123203148 /nfs/dbraw/zinc/20/31/48/1123203148.db2.gz IDFIYTJNXAKDDT-SECBINFHSA-N 1 2 329.878 3.707 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1nccs1 ZINC000132120210 1123203152 /nfs/dbraw/zinc/20/31/52/1123203152.db2.gz IDFIYTJNXAKDDT-SECBINFHSA-N 1 2 329.878 3.707 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347476606 1123230960 /nfs/dbraw/zinc/23/09/60/1123230960.db2.gz OSHCFKDJMKIGEJ-MSOLQXFVSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347476606 1123230964 /nfs/dbraw/zinc/23/09/64/1123230964.db2.gz OSHCFKDJMKIGEJ-MSOLQXFVSA-N 1 2 342.487 3.612 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920768139 1123422204 /nfs/dbraw/zinc/42/22/04/1123422204.db2.gz OHUIGPUXTZQOSB-XJKSGUPXSA-N 1 2 349.862 3.535 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000920767177 1123422213 /nfs/dbraw/zinc/42/22/13/1123422213.db2.gz AHUTULUFJKRDAM-SFHVURJKSA-N 1 2 343.471 3.907 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH+]1CCN(c2cnccn2)CC1 ZINC000133751692 1123429677 /nfs/dbraw/zinc/42/96/77/1123429677.db2.gz UCADTAHKDBPDAV-INIZCTEOSA-N 1 2 349.265 3.593 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC(C)(C)/C=C\Cl)c1ccccc1 ZINC000920841885 1123431236 /nfs/dbraw/zinc/43/12/36/1123431236.db2.gz GWYZOBWVTISHOT-FJVVXJACSA-N 1 2 346.862 3.534 20 0 EHADLO C[C@@H](NC(=O)NC(C)(C)/C=C/Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000920876021 1123434552 /nfs/dbraw/zinc/43/45/52/1123434552.db2.gz UTWSBULZJDZCBT-SBDDDAINSA-N 1 2 332.835 3.764 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133870335 1123455373 /nfs/dbraw/zinc/45/53/73/1123455373.db2.gz UAGLYSDRZWKGDX-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133870335 1123455375 /nfs/dbraw/zinc/45/53/75/1123455375.db2.gz UAGLYSDRZWKGDX-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)c1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921149318 1123472201 /nfs/dbraw/zinc/47/22/01/1123472201.db2.gz QIBUKZZIVFIDAF-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO C[N@@H+](Cc1ccc2ccccc2c1)Cn1cc(Br)cn1 ZINC000921184657 1123479829 /nfs/dbraw/zinc/47/98/29/1123479829.db2.gz OKULZPSQKKSRFH-UHFFFAOYSA-N 1 2 330.229 3.888 20 0 EHADLO C[N@H+](Cc1ccc2ccccc2c1)Cn1cc(Br)cn1 ZINC000921184657 1123479831 /nfs/dbraw/zinc/47/98/31/1123479831.db2.gz OKULZPSQKKSRFH-UHFFFAOYSA-N 1 2 330.229 3.888 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000066075885 1129129354 /nfs/dbraw/zinc/12/93/54/1129129354.db2.gz MFIULBZXEVWSPI-QGZVFWFLSA-N 1 2 331.485 3.596 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](c2ccco2)C1 ZINC000609512876 1123603093 /nfs/dbraw/zinc/60/30/93/1123603093.db2.gz YUMKOLBLCYWQIL-AWEZNQCLSA-N 1 2 336.391 3.998 20 0 EHADLO C[C@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)Cn1cc[nH+]c1 ZINC000135448712 1123616869 /nfs/dbraw/zinc/61/68/69/1123616869.db2.gz MSUAQLSTARGEGV-CYBMUJFWSA-N 1 2 347.846 3.534 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484701 1123634690 /nfs/dbraw/zinc/63/46/90/1123634690.db2.gz WPVMLCOZPZGTKY-CABCVRRESA-N 1 2 335.398 3.956 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484701 1123634691 /nfs/dbraw/zinc/63/46/91/1123634691.db2.gz WPVMLCOZPZGTKY-CABCVRRESA-N 1 2 335.398 3.956 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000136155410 1123672813 /nfs/dbraw/zinc/67/28/13/1123672813.db2.gz SYADFRGXDAPRNR-MRXNPFEDSA-N 1 2 329.469 3.571 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000564345756 1123678943 /nfs/dbraw/zinc/67/89/43/1123678943.db2.gz CYQMEEJWJWVGFF-HNNXBMFYSA-N 1 2 341.455 3.616 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000564345756 1123678949 /nfs/dbraw/zinc/67/89/49/1123678949.db2.gz CYQMEEJWJWVGFF-HNNXBMFYSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@H](C(C)C)C2)n1 ZINC000079469561 1123696961 /nfs/dbraw/zinc/69/69/61/1123696961.db2.gz AZPFXVUKHYCPRT-INIZCTEOSA-N 1 2 331.485 3.542 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@H](C(C)C)C2)n1 ZINC000079469561 1123696965 /nfs/dbraw/zinc/69/69/65/1123696965.db2.gz AZPFXVUKHYCPRT-INIZCTEOSA-N 1 2 331.485 3.542 20 0 EHADLO CCCNC(=O)C[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626112475 1123729360 /nfs/dbraw/zinc/72/93/60/1123729360.db2.gz AJPPOSDQGPNYAQ-UHFFFAOYSA-N 1 2 341.480 3.758 20 0 EHADLO CCCNC(=O)C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626112475 1123729362 /nfs/dbraw/zinc/72/93/62/1123729362.db2.gz AJPPOSDQGPNYAQ-UHFFFAOYSA-N 1 2 341.480 3.758 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(C)ccc2OC)nc1C ZINC000542623544 1123783574 /nfs/dbraw/zinc/78/35/74/1123783574.db2.gz XHDGNQLCFHFLQJ-ZDUSSCGKSA-N 1 2 348.468 3.796 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245618034 1123899057 /nfs/dbraw/zinc/89/90/57/1123899057.db2.gz VXNHSTIQOKIAAB-HUUCEWRRSA-N 1 2 326.843 3.777 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245618034 1123899061 /nfs/dbraw/zinc/89/90/61/1123899061.db2.gz VXNHSTIQOKIAAB-HUUCEWRRSA-N 1 2 326.843 3.777 20 0 EHADLO CCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775909 1123950201 /nfs/dbraw/zinc/95/02/01/1123950201.db2.gz YAZKPAPVRGQGPF-CIAFKFPVSA-N 1 2 341.543 3.646 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](c2ccccc2)C1 ZINC000616281300 1123974048 /nfs/dbraw/zinc/97/40/48/1123974048.db2.gz HYPJGOIVVHLIOA-AIHBUXEESA-N 1 2 337.467 3.612 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245926479 1123980689 /nfs/dbraw/zinc/98/06/89/1123980689.db2.gz PQZKGQHGKJDALK-OKZBNKHCSA-N 1 2 329.488 3.996 20 0 EHADLO CC[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccc(C)c(F)c1 ZINC001127603968 1124017752 /nfs/dbraw/zinc/01/77/52/1124017752.db2.gz POGYIYAGQJRKGU-QGZVFWFLSA-N 1 2 325.387 3.971 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000069066841 1124103566 /nfs/dbraw/zinc/10/35/66/1124103566.db2.gz BUUAAPQRTBXGLV-OAHLLOKOSA-N 1 2 327.428 3.511 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000069066841 1124103567 /nfs/dbraw/zinc/10/35/67/1124103567.db2.gz BUUAAPQRTBXGLV-OAHLLOKOSA-N 1 2 327.428 3.511 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000673083896 1129177259 /nfs/dbraw/zinc/17/72/59/1129177259.db2.gz DBGCWQZRQIWIKL-QGZVFWFLSA-N 1 2 335.455 3.522 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000673083896 1129177261 /nfs/dbraw/zinc/17/72/61/1129177261.db2.gz DBGCWQZRQIWIKL-QGZVFWFLSA-N 1 2 335.455 3.522 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734525226 1131246953 /nfs/dbraw/zinc/24/69/53/1131246953.db2.gz MTIPLTXGTDGFMA-DLBZAZTESA-N 1 2 340.471 3.888 20 0 EHADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000825276980 1131261523 /nfs/dbraw/zinc/26/15/23/1131261523.db2.gz KNSCQIMNRUXVPH-SFHVURJKSA-N 1 2 336.439 3.953 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000246982367 1124575105 /nfs/dbraw/zinc/57/51/05/1124575105.db2.gz JRKFCDFJEQOPIB-FUHWJXTLSA-N 1 2 343.471 3.978 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000246982367 1124575109 /nfs/dbraw/zinc/57/51/09/1124575109.db2.gz JRKFCDFJEQOPIB-FUHWJXTLSA-N 1 2 343.471 3.978 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000140137873 1124580565 /nfs/dbraw/zinc/58/05/65/1124580565.db2.gz HIWMSJPEVNDXQX-LBPRGKRZSA-N 1 2 347.256 3.741 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000140137873 1124580570 /nfs/dbraw/zinc/58/05/70/1124580570.db2.gz HIWMSJPEVNDXQX-LBPRGKRZSA-N 1 2 347.256 3.741 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617514285 1124618500 /nfs/dbraw/zinc/61/85/00/1124618500.db2.gz OUGGMHGYWCKPGG-KUHUBIRLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617514285 1124618507 /nfs/dbraw/zinc/61/85/07/1124618507.db2.gz OUGGMHGYWCKPGG-KUHUBIRLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617514286 1124618618 /nfs/dbraw/zinc/61/86/18/1124618618.db2.gz OUGGMHGYWCKPGG-LIRRHRJNSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617514286 1124618621 /nfs/dbraw/zinc/61/86/21/1124618621.db2.gz OUGGMHGYWCKPGG-LIRRHRJNSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccs1 ZINC000247685919 1124622538 /nfs/dbraw/zinc/62/25/38/1124622538.db2.gz UZZTWXQWCFHCEM-RBSFLKMASA-N 1 2 332.469 3.992 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccs1 ZINC000247685919 1124622542 /nfs/dbraw/zinc/62/25/42/1124622542.db2.gz UZZTWXQWCFHCEM-RBSFLKMASA-N 1 2 332.469 3.992 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC12CCCCCC2 ZINC000827993871 1124678718 /nfs/dbraw/zinc/67/87/18/1124678718.db2.gz LIWQYEBLGVZUKF-AEFFLSMTSA-N 1 2 329.488 3.653 20 0 EHADLO C[C@H]1CC(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)C1 ZINC000617663774 1124714916 /nfs/dbraw/zinc/71/49/16/1124714916.db2.gz AJFKHBJJHXWIQI-HZPDHXFCSA-N 1 2 325.456 3.734 20 0 EHADLO C[C@H]1CC(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H](C)C1 ZINC000617667474 1124715966 /nfs/dbraw/zinc/71/59/66/1124715966.db2.gz AUNNQXDSUHILOF-IAGOWNOFSA-N 1 2 339.483 3.662 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000249046188 1124729929 /nfs/dbraw/zinc/72/99/29/1124729929.db2.gz NSMAKBUGKBIBRS-FGEZKYSXSA-N 1 2 339.798 3.605 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000088226854 1124758660 /nfs/dbraw/zinc/75/86/60/1124758660.db2.gz YENGIBRSLSARED-SFHVURJKSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000088226854 1124758664 /nfs/dbraw/zinc/75/86/64/1124758664.db2.gz YENGIBRSLSARED-SFHVURJKSA-N 1 2 346.377 3.577 20 0 EHADLO Cc1cc(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC000734832817 1131283360 /nfs/dbraw/zinc/28/33/60/1131283360.db2.gz BMWUQIFTPKJCSE-CQSZACIVSA-N 1 2 334.464 3.624 20 0 EHADLO O=C(C[N@@H+](CCc1ccc(F)cc1)C1CC1)OCc1ccccc1 ZINC000735167638 1131315607 /nfs/dbraw/zinc/31/56/07/1131315607.db2.gz BBOVFSCYPFJLLB-UHFFFAOYSA-N 1 2 327.399 3.576 20 0 EHADLO O=C(C[N@H+](CCc1ccc(F)cc1)C1CC1)OCc1ccccc1 ZINC000735167638 1131315611 /nfs/dbraw/zinc/31/56/11/1131315611.db2.gz BBOVFSCYPFJLLB-UHFFFAOYSA-N 1 2 327.399 3.576 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000213430313 1124851756 /nfs/dbraw/zinc/85/17/56/1124851756.db2.gz DIBUYMOHQCSLBZ-YHYXMXQVSA-N 1 2 337.810 3.855 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCSCC2)c(Cl)c1 ZINC000089979790 1124879577 /nfs/dbraw/zinc/87/95/77/1124879577.db2.gz DYHIXWPTEBGRQA-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCSCC2)c(Cl)c1 ZINC000089979790 1124879582 /nfs/dbraw/zinc/87/95/82/1124879582.db2.gz DYHIXWPTEBGRQA-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+]Cc1occc1Br ZINC000735321133 1131331983 /nfs/dbraw/zinc/33/19/83/1131331983.db2.gz JTDHJVOFBDYCCJ-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO Cc1ccc(CC2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)cc1 ZINC000618889998 1125229675 /nfs/dbraw/zinc/22/96/75/1125229675.db2.gz AGKFDLPMIUIUPL-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO O=C(N[C@H]1CCSc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263967131 1125240648 /nfs/dbraw/zinc/24/06/48/1125240648.db2.gz UPINOJVYPFPMMH-HIFRSBDPSA-N 1 2 342.468 3.536 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c1OC ZINC000093478452 1125259542 /nfs/dbraw/zinc/25/95/42/1125259542.db2.gz FWYCMUUJSLYSJL-IBGZPJMESA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c1OC ZINC000093478452 1125259545 /nfs/dbraw/zinc/25/95/45/1125259545.db2.gz FWYCMUUJSLYSJL-IBGZPJMESA-N 1 2 327.424 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccnc3ccccc23)c1C ZINC000735434886 1131345678 /nfs/dbraw/zinc/34/56/78/1131345678.db2.gz MILUQILXHRCHBM-HJWRWDBZSA-N 1 2 347.418 3.585 20 0 EHADLO Cc1cn2cc(NC(=O)/C=C\c3ccnc4ccccc34)ccc2[nH+]1 ZINC000735437326 1131346514 /nfs/dbraw/zinc/34/65/14/1131346514.db2.gz MPRZQHYSAZRPQQ-TWGQIWQCSA-N 1 2 328.375 3.843 20 0 EHADLO C[C@@H](C[NH+]1CCOCC1)N(C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000763532166 1125326057 /nfs/dbraw/zinc/32/60/57/1125326057.db2.gz FMXJQCSCVVATDQ-ZCQLHAAUSA-N 1 2 343.298 3.528 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000735486033 1131348556 /nfs/dbraw/zinc/34/85/56/1131348556.db2.gz UISIXBUIJZVIDK-HNNXBMFYSA-N 1 2 338.377 3.763 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000735486033 1131348561 /nfs/dbraw/zinc/34/85/61/1131348561.db2.gz UISIXBUIJZVIDK-HNNXBMFYSA-N 1 2 338.377 3.763 20 0 EHADLO O=C(Cc1cc2ccccc2o1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619525515 1125357228 /nfs/dbraw/zinc/35/72/28/1125357228.db2.gz DYQPWJNIQGGXFX-UHFFFAOYSA-N 1 2 349.434 3.677 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000254999966 1125360407 /nfs/dbraw/zinc/36/04/07/1125360407.db2.gz XHVWLPBTJOXXLY-HJWRWDBZSA-N 1 2 331.419 3.913 20 0 EHADLO CC(C)SCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000619781864 1125404218 /nfs/dbraw/zinc/40/42/18/1125404218.db2.gz NVXXQSPVIIHECV-UHFFFAOYSA-N 1 2 330.291 3.785 20 0 EHADLO CC(C)SCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000619781864 1125404222 /nfs/dbraw/zinc/40/42/22/1125404222.db2.gz NVXXQSPVIIHECV-UHFFFAOYSA-N 1 2 330.291 3.785 20 0 EHADLO CCc1oc(C[N@@H+]2CCOc3ccccc3[C@H]2C)cc1C(=O)OC ZINC000619843840 1125415400 /nfs/dbraw/zinc/41/54/00/1125415400.db2.gz RYMMTMWOYBANPO-CYBMUJFWSA-N 1 2 329.396 3.584 20 0 EHADLO CCc1oc(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1C(=O)OC ZINC000619843840 1125415403 /nfs/dbraw/zinc/41/54/03/1125415403.db2.gz RYMMTMWOYBANPO-CYBMUJFWSA-N 1 2 329.396 3.584 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCCc1ccccc1Cl ZINC000543139600 1129276694 /nfs/dbraw/zinc/27/66/94/1129276694.db2.gz UGGHVOPVNUSSHE-HNNXBMFYSA-N 1 2 349.887 3.832 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCCc1ccccc1Cl ZINC000543139600 1129276696 /nfs/dbraw/zinc/27/66/96/1129276696.db2.gz UGGHVOPVNUSSHE-HNNXBMFYSA-N 1 2 349.887 3.832 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000116165169 1129339599 /nfs/dbraw/zinc/33/95/99/1129339599.db2.gz DMBPNEYHUUFMSF-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO CC[C@@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000080548933 1129364094 /nfs/dbraw/zinc/36/40/94/1129364094.db2.gz ALPWIBSCCXSVDO-AEFFLSMTSA-N 1 2 340.471 3.536 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068545617 1129379168 /nfs/dbraw/zinc/37/91/68/1129379168.db2.gz WIUPIWBYHHPILZ-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO CC(C)OCc1c2ccccc2oc1C(=O)OCc1ccc[nH+]c1N ZINC000922235285 1129386181 /nfs/dbraw/zinc/38/61/81/1129386181.db2.gz DMRRTDLADAYLAF-UHFFFAOYSA-N 1 2 340.379 3.692 20 0 EHADLO Cc1ccsc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318427 1129413490 /nfs/dbraw/zinc/41/34/90/1129413490.db2.gz WWDZDFZRSAFRRX-HNNXBMFYSA-N 1 2 325.437 3.504 20 0 EHADLO Cc1ccc2nc(C(=O)Nc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000338838026 1129415744 /nfs/dbraw/zinc/41/57/44/1129415744.db2.gz VRYVNOMHKGNULH-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO FC(F)(F)c1sccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000922300914 1129450106 /nfs/dbraw/zinc/45/01/06/1129450106.db2.gz WHDOFVAEXHSVRR-UHFFFAOYSA-N 1 2 340.168 3.542 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc2cc(F)ccc2o1 ZINC000117649026 1129457591 /nfs/dbraw/zinc/45/75/91/1129457591.db2.gz PZYKZZGTVNZCTB-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Br)cc1F)CO2 ZINC000466468558 1129475160 /nfs/dbraw/zinc/47/51/60/1129475160.db2.gz IBZCBVSQZHTBKF-AWEZNQCLSA-N 1 2 340.167 3.951 20 0 EHADLO CCC(CC)(NC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000069724942 1129476976 /nfs/dbraw/zinc/47/69/76/1129476976.db2.gz VGHXACSQPRFCEC-UHFFFAOYSA-N 1 2 334.851 3.551 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000158411975 1129514791 /nfs/dbraw/zinc/51/47/91/1129514791.db2.gz BQXAGUGQMDKUOR-QGZVFWFLSA-N 1 2 326.444 3.804 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000158411975 1129514794 /nfs/dbraw/zinc/51/47/94/1129514794.db2.gz BQXAGUGQMDKUOR-QGZVFWFLSA-N 1 2 326.444 3.804 20 0 EHADLO Oc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1Br ZINC000922584442 1129586640 /nfs/dbraw/zinc/58/66/40/1129586640.db2.gz KTFLWMNYWXLFOF-MRXNPFEDSA-N 1 2 333.229 3.791 20 0 EHADLO Nc1ccc(COC(=O)CCCc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000922615234 1129595875 /nfs/dbraw/zinc/59/58/75/1129595875.db2.gz MCKWUVWHQKCOJB-UHFFFAOYSA-N 1 2 338.329 3.749 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922677376 1129624639 /nfs/dbraw/zinc/62/46/39/1129624639.db2.gz PZAQFPUAGKAKQE-AWEZNQCLSA-N 1 2 328.412 3.690 20 0 EHADLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cc(F)ccc1OC ZINC000922779032 1129661190 /nfs/dbraw/zinc/66/11/90/1129661190.db2.gz QXLQZTBYOVVKAF-KRWDZBQOSA-N 1 2 345.418 3.797 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000428994692 1129680426 /nfs/dbraw/zinc/68/04/26/1129680426.db2.gz PMBNSLWBKCCXOH-SJORKVTESA-N 1 2 334.508 3.836 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000028174762 1129779082 /nfs/dbraw/zinc/77/90/82/1129779082.db2.gz NMNDGMDTHKMPAM-FQEVSTJZSA-N 1 2 340.492 3.682 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000028174762 1129779084 /nfs/dbraw/zinc/77/90/84/1129779084.db2.gz NMNDGMDTHKMPAM-FQEVSTJZSA-N 1 2 340.492 3.682 20 0 EHADLO Brc1cnccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000625256672 1129789933 /nfs/dbraw/zinc/78/99/33/1129789933.db2.gz ISVZIAOLWKEXHP-UHFFFAOYSA-N 1 2 338.274 3.860 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(F)c(F)c1 ZINC000625297223 1129810101 /nfs/dbraw/zinc/81/01/01/1129810101.db2.gz NKCAIBQRGFWSHD-MRXNPFEDSA-N 1 2 327.758 3.801 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4ccccc4s3)[nH+]c12 ZINC000673726022 1129813061 /nfs/dbraw/zinc/81/30/61/1129813061.db2.gz YDNSTDDKASILGP-UHFFFAOYSA-N 1 2 335.432 3.830 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000455082336 1129819521 /nfs/dbraw/zinc/81/95/21/1129819521.db2.gz RPAWOUQZLAMQHM-BZSNNMDCSA-N 1 2 344.503 3.526 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(Br)s1 ZINC000429123281 1129831361 /nfs/dbraw/zinc/83/13/61/1129831361.db2.gz TZKKOHWFPGGFHC-NSHDSACASA-N 1 2 334.279 3.530 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000429123281 1129831367 /nfs/dbraw/zinc/83/13/67/1129831367.db2.gz TZKKOHWFPGGFHC-NSHDSACASA-N 1 2 334.279 3.530 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cc(F)ccc3Cl)[nH+]c12 ZINC000673760978 1129836059 /nfs/dbraw/zinc/83/60/59/1129836059.db2.gz IEGXEKIRDRSQCH-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO FC1(F)CN([C@@H]2Cc3cccc(Cl)c3C2)CC[C@H]1[NH+]1CCCC1 ZINC001168742069 1129845826 /nfs/dbraw/zinc/84/58/26/1129845826.db2.gz CAFDHGBLVCRQEO-RHSMWYFYSA-N 1 2 340.845 3.613 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)c(F)c1 ZINC000625371229 1129848057 /nfs/dbraw/zinc/84/80/57/1129848057.db2.gz OSOFODRLXHPGAM-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)c(F)c1 ZINC000625371229 1129848063 /nfs/dbraw/zinc/84/80/63/1129848063.db2.gz OSOFODRLXHPGAM-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429138325 1129851234 /nfs/dbraw/zinc/85/12/34/1129851234.db2.gz VNESMOULDWPJHK-CVEARBPZSA-N 1 2 338.451 3.859 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429138325 1129851239 /nfs/dbraw/zinc/85/12/39/1129851239.db2.gz VNESMOULDWPJHK-CVEARBPZSA-N 1 2 338.451 3.859 20 0 EHADLO CC1(C)C[N@H+](Cc2coc(-c3ccccc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000625433189 1129869232 /nfs/dbraw/zinc/86/92/32/1129869232.db2.gz RDYGLWGVGZBPCI-IAGOWNOFSA-N 1 2 330.403 3.870 20 0 EHADLO CC1(C)C[N@@H+](Cc2coc(-c3ccccc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000625433189 1129869238 /nfs/dbraw/zinc/86/92/38/1129869238.db2.gz RDYGLWGVGZBPCI-IAGOWNOFSA-N 1 2 330.403 3.870 20 0 EHADLO CCO[C@@H](CC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000057214781 1129877819 /nfs/dbraw/zinc/87/78/19/1129877819.db2.gz IQGMOTRNHJDMSI-KRWDZBQOSA-N 1 2 327.428 3.640 20 0 EHADLO Cc1cc(C)n2c(nn(C[NH+]3CCC(C)(C(C)C)CC3)c2=S)n1 ZINC000186885926 1129888239 /nfs/dbraw/zinc/88/82/39/1129888239.db2.gz ACNGSJDPFVMVMY-UHFFFAOYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000347831772 1129900545 /nfs/dbraw/zinc/90/05/45/1129900545.db2.gz OITCCPTZRPGPEN-GXTWGEPZSA-N 1 2 337.345 3.594 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000162849412 1129908599 /nfs/dbraw/zinc/90/85/99/1129908599.db2.gz FMOGRMQFCYDICN-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282480292 1129928431 /nfs/dbraw/zinc/92/84/31/1129928431.db2.gz XMTOPEGBAPSXHD-INIZCTEOSA-N 1 2 349.434 3.985 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3C(C)(C)C3(C)C)CC2)cc1 ZINC000074031622 1129933699 /nfs/dbraw/zinc/93/36/99/1129933699.db2.gz CWKQVNYMRYQKIC-UHFFFAOYSA-N 1 2 343.515 3.520 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673989158 1129940805 /nfs/dbraw/zinc/94/08/05/1129940805.db2.gz IBUZFYPCYZHQJZ-ZBFHGGJFSA-N 1 2 347.846 3.558 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013011 1129959816 /nfs/dbraw/zinc/95/98/16/1129959816.db2.gz JFMLDELKSYDCKN-DNVCBOLYSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013011 1129959818 /nfs/dbraw/zinc/95/98/18/1129959818.db2.gz JFMLDELKSYDCKN-DNVCBOLYSA-N 1 2 338.426 3.940 20 0 EHADLO C[N@H+](C/C=C\c1ccc(F)c(F)c1)Cc1nc(-c2cccnc2)no1 ZINC000347875597 1129960397 /nfs/dbraw/zinc/96/03/97/1129960397.db2.gz WKLLALKMRMIJGY-ARJAWSKDSA-N 1 2 342.349 3.555 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)Cc1nc(-c2cccnc2)no1 ZINC000347875597 1129960401 /nfs/dbraw/zinc/96/04/01/1129960401.db2.gz WKLLALKMRMIJGY-ARJAWSKDSA-N 1 2 342.349 3.555 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001212518479 1129963125 /nfs/dbraw/zinc/96/31/25/1129963125.db2.gz IGQLSMNRVGDELT-UHFFFAOYSA-N 1 2 329.787 3.837 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001626095702 1129971313 /nfs/dbraw/zinc/97/13/13/1129971313.db2.gz CDGIPOJDGNFLRW-MRXNPFEDSA-N 1 2 325.456 3.842 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001626095701 1129971358 /nfs/dbraw/zinc/97/13/58/1129971358.db2.gz CDGIPOJDGNFLRW-INIZCTEOSA-N 1 2 325.456 3.842 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429207057 1129974923 /nfs/dbraw/zinc/97/49/23/1129974923.db2.gz WNZQCTMFURYMRE-OAHLLOKOSA-N 1 2 348.406 3.812 20 0 EHADLO Cn1c(NCc2coc(-c3ccccc3)n2)[nH+]c2cccc(Cl)c21 ZINC000466633686 1129993829 /nfs/dbraw/zinc/99/38/29/1129993829.db2.gz NJZNYLXGBLLNQY-UHFFFAOYSA-N 1 2 338.798 3.916 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCC1 ZINC000674084136 1129999955 /nfs/dbraw/zinc/99/99/55/1129999955.db2.gz AKTOTAAIKHEHOQ-HNNXBMFYSA-N 1 2 327.428 3.727 20 0 EHADLO FC(F)C1([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCC1 ZINC000674143885 1130012751 /nfs/dbraw/zinc/01/27/51/1130012751.db2.gz BYDUBQZBYNULOO-MRXNPFEDSA-N 1 2 325.399 3.912 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)o1 ZINC000171147800 1130019656 /nfs/dbraw/zinc/01/96/56/1130019656.db2.gz TYSUZMRQVPPDJB-UHFFFAOYSA-N 1 2 340.427 3.913 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)o1 ZINC000171147800 1130019661 /nfs/dbraw/zinc/01/96/61/1130019661.db2.gz TYSUZMRQVPPDJB-UHFFFAOYSA-N 1 2 340.427 3.913 20 0 EHADLO O=C(N[C@H]1CCSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000172052921 1130102205 /nfs/dbraw/zinc/10/22/05/1130102205.db2.gz DBMUYIMMGXNBRX-KRWDZBQOSA-N 1 2 335.432 3.839 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000172080479 1130104315 /nfs/dbraw/zinc/10/43/15/1130104315.db2.gz OVIZVAMYUZXXBA-GOSISDBHSA-N 1 2 332.394 3.664 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674548949 1130127877 /nfs/dbraw/zinc/12/78/77/1130127877.db2.gz DLQMMCREYKERBD-OAHLLOKOSA-N 1 2 340.814 3.562 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000429234663 1130139149 /nfs/dbraw/zinc/13/91/49/1130139149.db2.gz HCOAGCNCEQXGKN-UHFFFAOYSA-N 1 2 341.333 3.677 20 0 EHADLO C[C@@H](N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1(C)CC1 ZINC000674637320 1130153923 /nfs/dbraw/zinc/15/39/23/1130153923.db2.gz YUGQPYSSVCRNLK-NVXWUHKLSA-N 1 2 340.471 3.534 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000702317215 1130209920 /nfs/dbraw/zinc/20/99/20/1130209920.db2.gz STKKJAPBJIFZLP-UHFFFAOYSA-N 1 2 330.432 3.886 20 0 EHADLO CCOc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)nc1 ZINC000674866181 1130210936 /nfs/dbraw/zinc/21/09/36/1130210936.db2.gz FGYMPWGRSJGVMF-RYUDHWBXSA-N 1 2 342.283 3.653 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674985257 1130235802 /nfs/dbraw/zinc/23/58/02/1130235802.db2.gz FRPDZOGQXARHJK-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000675250982 1130292184 /nfs/dbraw/zinc/29/21/84/1130292184.db2.gz BAIBKNPTOUJYRZ-CQSZACIVSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000675250982 1130292189 /nfs/dbraw/zinc/29/21/89/1130292189.db2.gz BAIBKNPTOUJYRZ-CQSZACIVSA-N 1 2 328.441 3.782 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000675255334 1130299041 /nfs/dbraw/zinc/29/90/41/1130299041.db2.gz LNTMLEVXITYKAD-IUODEOHRSA-N 1 2 343.427 3.960 20 0 EHADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321607 1130309841 /nfs/dbraw/zinc/30/98/41/1130309841.db2.gz BRDPAMKWFIHKIR-JOYOIKCWSA-N 1 2 342.226 3.899 20 0 EHADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321607 1130309848 /nfs/dbraw/zinc/30/98/48/1130309848.db2.gz BRDPAMKWFIHKIR-JOYOIKCWSA-N 1 2 342.226 3.899 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2nc(Cl)ccc2Cl)cc1 ZINC000766106728 1130320769 /nfs/dbraw/zinc/32/07/69/1130320769.db2.gz JHTDNZWNWZKUAI-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2nc(Cl)ccc2Cl)cc1 ZINC000766106728 1130320776 /nfs/dbraw/zinc/32/07/76/1130320776.db2.gz JHTDNZWNWZKUAI-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO FC(F)(F)c1cc(-c2noc(Cn3cc[nH+]c3)n2)ccc1Cl ZINC001212536578 1130322037 /nfs/dbraw/zinc/32/20/37/1130322037.db2.gz OYKCNDDXZZBNBW-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@H+](Cc3nc(Cl)ccc3Cl)C2)n1 ZINC000766109274 1130323158 /nfs/dbraw/zinc/32/31/58/1130323158.db2.gz JVDMKWJHZCPEPU-GFCCVEGCSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)n1 ZINC000766109274 1130323166 /nfs/dbraw/zinc/32/31/66/1130323166.db2.gz JVDMKWJHZCPEPU-GFCCVEGCSA-N 1 2 337.254 3.866 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766117755 1130332045 /nfs/dbraw/zinc/33/20/45/1130332045.db2.gz GUAPYVICIVGCJM-RYUDHWBXSA-N 1 2 348.434 3.657 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766117755 1130332050 /nfs/dbraw/zinc/33/20/50/1130332050.db2.gz GUAPYVICIVGCJM-RYUDHWBXSA-N 1 2 348.434 3.657 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000675730022 1130464239 /nfs/dbraw/zinc/46/42/39/1130464239.db2.gz POQSDFCRWOACMK-OAHLLOKOSA-N 1 2 346.862 3.661 20 0 EHADLO Cc1occc1C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000675779356 1130470979 /nfs/dbraw/zinc/47/09/79/1130470979.db2.gz MCJSFHFVWHMILW-NSHDSACASA-N 1 2 330.819 3.981 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000675773147 1130474697 /nfs/dbraw/zinc/47/46/97/1130474697.db2.gz GPLGSBPMDFDWDW-UHFFFAOYSA-N 1 2 327.409 3.682 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000675808266 1130483149 /nfs/dbraw/zinc/48/31/49/1130483149.db2.gz QGMPOSWVDSCTGW-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000675808266 1130483153 /nfs/dbraw/zinc/48/31/53/1130483153.db2.gz QGMPOSWVDSCTGW-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000676064091 1130525482 /nfs/dbraw/zinc/52/54/82/1130525482.db2.gz CPSNSQAXYAXWCI-IBGZPJMESA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000705989789 1130548946 /nfs/dbraw/zinc/54/89/46/1130548946.db2.gz NTTVCLZORSNYIP-NWANDNLSSA-N 1 2 333.457 3.633 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(COc2ccc(OC)cc2)oc1=S ZINC000727823852 1130601661 /nfs/dbraw/zinc/60/16/61/1130601661.db2.gz LUFKRQKMVDQKQU-CYBMUJFWSA-N 1 2 349.456 3.625 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(COc2ccc(OC)cc2)oc1=S ZINC000727823852 1130601663 /nfs/dbraw/zinc/60/16/63/1130601663.db2.gz LUFKRQKMVDQKQU-CYBMUJFWSA-N 1 2 349.456 3.625 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCc2ccccc2)C1 ZINC000728042366 1130620153 /nfs/dbraw/zinc/62/01/53/1130620153.db2.gz AAGGSWFXBGDHPZ-MRXNPFEDSA-N 1 2 344.524 3.947 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCc2ccccc2)C1 ZINC000728042366 1130620157 /nfs/dbraw/zinc/62/01/57/1130620157.db2.gz AAGGSWFXBGDHPZ-MRXNPFEDSA-N 1 2 344.524 3.947 20 0 EHADLO CSCc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000731755045 1130841900 /nfs/dbraw/zinc/84/19/00/1130841900.db2.gz TZRLOOUTKGFOJE-MRXNPFEDSA-N 1 2 346.500 3.983 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000732182791 1130894646 /nfs/dbraw/zinc/89/46/46/1130894646.db2.gz IMOCARFAEJXBIH-CYBMUJFWSA-N 1 2 334.489 3.868 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000732182791 1130894651 /nfs/dbraw/zinc/89/46/51/1130894651.db2.gz IMOCARFAEJXBIH-CYBMUJFWSA-N 1 2 334.489 3.868 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000732212400 1130898045 /nfs/dbraw/zinc/89/80/45/1130898045.db2.gz YQDZCXCMBQANSL-UDABPDOUSA-N 1 2 343.492 3.645 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000732212400 1130898055 /nfs/dbraw/zinc/89/80/55/1130898055.db2.gz YQDZCXCMBQANSL-UDABPDOUSA-N 1 2 343.492 3.645 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnc(C)cn2)c2ccc(F)cc2)cc1 ZINC000732203855 1130899910 /nfs/dbraw/zinc/89/99/10/1130899910.db2.gz JZTZDKMDCVLBOH-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnn4ccccc34)c2)[nH+]c1C ZINC000732276514 1130904653 /nfs/dbraw/zinc/90/46/53/1130904653.db2.gz TXENUWAJTRVYQI-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989689 1130980045 /nfs/dbraw/zinc/98/00/45/1130980045.db2.gz SRADDHFNSMFJCB-FSPWUOQZSA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989689 1130980050 /nfs/dbraw/zinc/98/00/50/1130980050.db2.gz SRADDHFNSMFJCB-FSPWUOQZSA-N 1 2 336.426 3.797 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989101 1130980209 /nfs/dbraw/zinc/98/02/09/1130980209.db2.gz ODXBDVKMMODETM-CRAIPNDOSA-N 1 2 336.426 3.893 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989101 1130980211 /nfs/dbraw/zinc/98/02/11/1130980211.db2.gz ODXBDVKMMODETM-CRAIPNDOSA-N 1 2 336.426 3.893 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000733303697 1131018628 /nfs/dbraw/zinc/01/86/28/1131018628.db2.gz BYIBKHKTJCIHEZ-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000733303697 1131018630 /nfs/dbraw/zinc/01/86/30/1131018630.db2.gz BYIBKHKTJCIHEZ-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000733313355 1131021688 /nfs/dbraw/zinc/02/16/88/1131021688.db2.gz OUCUXUSJBYJEQQ-IBGZPJMESA-N 1 2 343.858 3.727 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000733313355 1131021694 /nfs/dbraw/zinc/02/16/94/1131021694.db2.gz OUCUXUSJBYJEQQ-IBGZPJMESA-N 1 2 343.858 3.727 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940236 1131095437 /nfs/dbraw/zinc/09/54/37/1131095437.db2.gz DGBCAQOKJWRGDQ-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940236 1131095443 /nfs/dbraw/zinc/09/54/43/1131095443.db2.gz DGBCAQOKJWRGDQ-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cccc(F)c3C2)ccc1OC(F)F ZINC000347984741 1131118790 /nfs/dbraw/zinc/11/87/90/1131118790.db2.gz FFPPNKSGRMXHBK-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO COc1cc(C[N@H+]2CCc3cccc(F)c3C2)ccc1OC(F)F ZINC000347984741 1131118793 /nfs/dbraw/zinc/11/87/93/1131118793.db2.gz FFPPNKSGRMXHBK-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348054109 1131130483 /nfs/dbraw/zinc/13/04/83/1131130483.db2.gz UVZCTBDRMFEMMC-WCQYABFASA-N 1 2 345.472 3.950 20 0 EHADLO Oc1cccc(CN2CC[NH+](Cc3cccc(C(F)F)c3)CC2)c1 ZINC000348040406 1131134987 /nfs/dbraw/zinc/13/49/87/1131134987.db2.gz VLPYPGRBPKJCBE-UHFFFAOYSA-N 1 2 332.394 3.648 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000626093557 1131153482 /nfs/dbraw/zinc/15/34/82/1131153482.db2.gz DLCPGEOCGMUBCN-NBYUQASBSA-N 1 2 337.467 3.877 20 0 EHADLO c1ccc2cc(CC[N@@H+]3CCO[C@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000733996624 1131180270 /nfs/dbraw/zinc/18/02/70/1131180270.db2.gz ZGVQPTMZGBPCES-IBGZPJMESA-N 1 2 349.434 3.716 20 0 EHADLO c1ccc2cc(CC[N@H+]3CCO[C@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000733996624 1131180273 /nfs/dbraw/zinc/18/02/73/1131180273.db2.gz ZGVQPTMZGBPCES-IBGZPJMESA-N 1 2 349.434 3.716 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1Cl ZINC000179040673 1131454595 /nfs/dbraw/zinc/45/45/95/1131454595.db2.gz LWRHMIHWICCWBJ-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)cc1Cl ZINC000179040673 1131454599 /nfs/dbraw/zinc/45/45/99/1131454599.db2.gz LWRHMIHWICCWBJ-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000738223366 1131463668 /nfs/dbraw/zinc/46/36/68/1131463668.db2.gz IHOXLBISWRMUNK-ZDUSSCGKSA-N 1 2 334.464 3.979 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000738223366 1131463670 /nfs/dbraw/zinc/46/36/70/1131463670.db2.gz IHOXLBISWRMUNK-ZDUSSCGKSA-N 1 2 334.464 3.979 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000738218954 1131463795 /nfs/dbraw/zinc/46/37/95/1131463795.db2.gz HPVDFCZKYOITMF-MRXNPFEDSA-N 1 2 348.541 3.968 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000738218954 1131463797 /nfs/dbraw/zinc/46/37/97/1131463797.db2.gz HPVDFCZKYOITMF-MRXNPFEDSA-N 1 2 348.541 3.968 20 0 EHADLO C[C@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000738422307 1131468986 /nfs/dbraw/zinc/46/89/86/1131468986.db2.gz BEFCBRAKTMBMOP-LBPRGKRZSA-N 1 2 342.277 3.702 20 0 EHADLO CCCn1c(C[NH2+]Cc2cccc3c2OCCO3)nc2ccccc21 ZINC000738430920 1131469686 /nfs/dbraw/zinc/46/96/86/1131469686.db2.gz UPJOOSBXUDKPAA-UHFFFAOYSA-N 1 2 337.423 3.507 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=S)n1CCc1cccs1 ZINC000740860034 1131549239 /nfs/dbraw/zinc/54/92/39/1131549239.db2.gz OKVIXOGCANIGMP-QWHCGFSZSA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=S)n1CCc1cccs1 ZINC000740860034 1131549242 /nfs/dbraw/zinc/54/92/42/1131549242.db2.gz OKVIXOGCANIGMP-QWHCGFSZSA-N 1 2 336.530 3.715 20 0 EHADLO CCOc1ccccc1COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000741150986 1131583580 /nfs/dbraw/zinc/58/35/80/1131583580.db2.gz RHASMDPXRYDNNZ-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CCOc1ccccc1COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000741150986 1131583583 /nfs/dbraw/zinc/58/35/83/1131583583.db2.gz RHASMDPXRYDNNZ-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO Brc1ccoc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000741259420 1131591252 /nfs/dbraw/zinc/59/12/52/1131591252.db2.gz YLHPJPWWQBESLN-OAHLLOKOSA-N 1 2 346.228 3.770 20 0 EHADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000741354548 1131598619 /nfs/dbraw/zinc/59/86/19/1131598619.db2.gz SYZWBRRHLXYCEZ-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000741354548 1131598624 /nfs/dbraw/zinc/59/86/24/1131598624.db2.gz SYZWBRRHLXYCEZ-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1nc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000741354551 1131598740 /nfs/dbraw/zinc/59/87/40/1131598740.db2.gz SYZWBRRHLXYCEZ-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1nc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000741354551 1131598742 /nfs/dbraw/zinc/59/87/42/1131598742.db2.gz SYZWBRRHLXYCEZ-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000741775313 1131645020 /nfs/dbraw/zinc/64/50/20/1131645020.db2.gz QGZPEECULHSSEO-KBPBESRZSA-N 1 2 332.469 3.817 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000741775313 1131645023 /nfs/dbraw/zinc/64/50/23/1131645023.db2.gz QGZPEECULHSSEO-KBPBESRZSA-N 1 2 332.469 3.817 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783165 1131647175 /nfs/dbraw/zinc/64/71/75/1131647175.db2.gz JZGOKDZFUVYLPD-UKRRQHHQSA-N 1 2 346.377 3.983 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783165 1131647177 /nfs/dbraw/zinc/64/71/77/1131647177.db2.gz JZGOKDZFUVYLPD-UKRRQHHQSA-N 1 2 346.377 3.983 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000742015131 1131680365 /nfs/dbraw/zinc/68/03/65/1131680365.db2.gz ZDDLMWXOWPXQIX-PLFFATQSSA-N 1 2 332.875 3.902 20 0 EHADLO C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000742056457 1131684295 /nfs/dbraw/zinc/68/42/95/1131684295.db2.gz UXGHHXSORNNMMR-XJKSGUPXSA-N 1 2 333.863 3.871 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(Br)cn2)CC[C@@H]1c1ccccc1 ZINC000742164429 1131691560 /nfs/dbraw/zinc/69/15/60/1131691560.db2.gz IDRABUPDUZDNPC-CJNGLKHVSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(Br)cn2)CC[C@@H]1c1ccccc1 ZINC000742164429 1131691564 /nfs/dbraw/zinc/69/15/64/1131691564.db2.gz IDRABUPDUZDNPC-CJNGLKHVSA-N 1 2 334.261 3.729 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc2n1CCCCC2 ZINC000742152020 1131694189 /nfs/dbraw/zinc/69/41/89/1131694189.db2.gz ALJWWXIEOPSBEZ-QGZVFWFLSA-N 1 2 342.512 3.663 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nc2n1CCCCC2 ZINC000742152020 1131694192 /nfs/dbraw/zinc/69/41/92/1131694192.db2.gz ALJWWXIEOPSBEZ-QGZVFWFLSA-N 1 2 342.512 3.663 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000742236991 1131699141 /nfs/dbraw/zinc/69/91/41/1131699141.db2.gz CWYSTVADIQJETQ-UHFFFAOYSA-N 1 2 330.463 3.925 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000742236991 1131699144 /nfs/dbraw/zinc/69/91/44/1131699144.db2.gz CWYSTVADIQJETQ-UHFFFAOYSA-N 1 2 330.463 3.925 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3c(Cl)ncc4ccccc43)cc2)C1 ZINC001212665333 1131757395 /nfs/dbraw/zinc/75/73/95/1131757395.db2.gz JBJCZLZTGIEDTH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000742665591 1131767155 /nfs/dbraw/zinc/76/71/55/1131767155.db2.gz FDOMIOJWZONDDT-ALCCZGGFSA-N 1 2 326.425 3.740 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572373 1131777594 /nfs/dbraw/zinc/77/75/94/1131777594.db2.gz VVKZBSRCCMHXOU-HWPZZCPQSA-N 1 2 349.780 3.526 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572373 1131777599 /nfs/dbraw/zinc/77/75/99/1131777599.db2.gz VVKZBSRCCMHXOU-HWPZZCPQSA-N 1 2 349.780 3.526 20 0 EHADLO CCCC[C@H]1C[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642127 1131798851 /nfs/dbraw/zinc/79/88/51/1131798851.db2.gz MJJXQLGPWUTTEK-QXSJWSMHSA-N 1 2 346.462 3.937 20 0 EHADLO CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642127 1131798856 /nfs/dbraw/zinc/79/88/56/1131798856.db2.gz MJJXQLGPWUTTEK-QXSJWSMHSA-N 1 2 346.462 3.937 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000742858696 1131806956 /nfs/dbraw/zinc/80/69/56/1131806956.db2.gz VZLSDXARDUWWNX-NVXWUHKLSA-N 1 2 337.423 3.525 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 ZINC000742859331 1131808020 /nfs/dbraw/zinc/80/80/20/1131808020.db2.gz XEPXNMYRJPDMAN-HSNDNRACSA-N 1 2 337.467 3.957 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172856726 1131874741 /nfs/dbraw/zinc/87/47/41/1131874741.db2.gz NNNXTFVARHMWPA-XHDPSFHLSA-N 1 2 347.883 3.685 20 0 EHADLO COc1ccc(-n2ccn(C[NH+]3C[C@H](C)S[C@@H](C)C3)c2=S)cc1 ZINC000743374166 1131904916 /nfs/dbraw/zinc/90/49/16/1131904916.db2.gz FVIXMUPCSKYFKC-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO CC(=O)c1ccnc(Cl)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693356 1131906564 /nfs/dbraw/zinc/90/65/64/1131906564.db2.gz RCKPYDAYFRIPHJ-UHFFFAOYSA-N 1 2 326.787 3.926 20 0 EHADLO Nc1cc(Cl)nc(Cl)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693337 1131907072 /nfs/dbraw/zinc/90/70/72/1131907072.db2.gz QBKHJETWPPTVPI-UHFFFAOYSA-N 1 2 334.210 3.959 20 0 EHADLO Brc1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC001212694273 1131922956 /nfs/dbraw/zinc/92/29/56/1131922956.db2.gz RSVWECKNYZJAJO-UHFFFAOYSA-N 1 2 335.230 3.894 20 0 EHADLO CC(C)c1cnn2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)cnc12 ZINC001212695298 1131925864 /nfs/dbraw/zinc/92/58/64/1131925864.db2.gz XNKMMCUZHYLISD-UHFFFAOYSA-N 1 2 332.411 3.841 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212697790 1131936998 /nfs/dbraw/zinc/93/69/98/1131936998.db2.gz TUNKZMUOZYAKMV-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001173084501 1131962506 /nfs/dbraw/zinc/96/25/06/1131962506.db2.gz ZHRYZAQPZYHSHJ-RYUDHWBXSA-N 1 2 347.377 3.836 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)C1 ZINC001173280424 1132040757 /nfs/dbraw/zinc/04/07/57/1132040757.db2.gz OUQLEASAHPYABS-GVDBMIGSSA-N 1 2 340.471 3.812 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)C1 ZINC001173280424 1132040762 /nfs/dbraw/zinc/04/07/62/1132040762.db2.gz OUQLEASAHPYABS-GVDBMIGSSA-N 1 2 340.471 3.812 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccnc3C3CC3)c2c1 ZINC001212737270 1132089916 /nfs/dbraw/zinc/08/99/16/1132089916.db2.gz YTLZOZOHZBUMSN-UHFFFAOYSA-N 1 2 333.391 3.849 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C[C@@H](CC(C)C)CC2=O)cc1 ZINC000744435547 1132090978 /nfs/dbraw/zinc/09/09/78/1132090978.db2.gz XRTMOHGTYLJORX-HKUYNNGSSA-N 1 2 346.540 3.937 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C[C@@H](CC(C)C)CC2=O)cc1 ZINC000744435547 1132090987 /nfs/dbraw/zinc/09/09/87/1132090987.db2.gz XRTMOHGTYLJORX-HKUYNNGSSA-N 1 2 346.540 3.937 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000744435189 1132091623 /nfs/dbraw/zinc/09/16/23/1132091623.db2.gz UBMPQOZGUPHJRT-OAHLLOKOSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000744435189 1132091630 /nfs/dbraw/zinc/09/16/30/1132091630.db2.gz UBMPQOZGUPHJRT-OAHLLOKOSA-N 1 2 333.501 3.853 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C[C@@H](CC(C)C)CC2=O)cc1 ZINC000744435750 1132091753 /nfs/dbraw/zinc/09/17/53/1132091753.db2.gz XRTMOHGTYLJORX-PKOBYXMFSA-N 1 2 346.540 3.937 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C[C@@H](CC(C)C)CC2=O)cc1 ZINC000744435750 1132091761 /nfs/dbraw/zinc/09/17/61/1132091761.db2.gz XRTMOHGTYLJORX-PKOBYXMFSA-N 1 2 346.540 3.937 20 0 EHADLO C[C@@H]1CC([N@H+]2Cc3ncsc3C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173683429 1132120658 /nfs/dbraw/zinc/12/06/58/1132120658.db2.gz DPPXEULALAFNBO-VXGBXAGGSA-N 1 2 337.489 3.635 20 0 EHADLO C[C@@H]1CC([N@@H+]2Cc3ncsc3C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173683429 1132120660 /nfs/dbraw/zinc/12/06/60/1132120660.db2.gz DPPXEULALAFNBO-VXGBXAGGSA-N 1 2 337.489 3.635 20 0 EHADLO COc1cc(OC)c(Nc2ccc[nH+]c2N2CCCCC2)c(OC)c1 ZINC001173907381 1132170213 /nfs/dbraw/zinc/17/02/13/1132170213.db2.gz QLHGEAYEHOAPFF-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO COc1ccc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)cn1 ZINC001173959373 1132183317 /nfs/dbraw/zinc/18/33/17/1132183317.db2.gz IFWRAQDTNIUWEJ-UHFFFAOYSA-N 1 2 347.216 3.861 20 0 EHADLO COC(=O)c1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001173962398 1132184490 /nfs/dbraw/zinc/18/44/90/1132184490.db2.gz MVYRZAHXFLFYGV-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO Cc1ccccc1Nc1nc(COC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC000745080706 1132195296 /nfs/dbraw/zinc/19/52/96/1132195296.db2.gz CEMKPGOECUZOOA-INIZCTEOSA-N 1 2 345.468 3.723 20 0 EHADLO Cc1ccccc1Nc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000745080706 1132195299 /nfs/dbraw/zinc/19/52/99/1132195299.db2.gz CEMKPGOECUZOOA-INIZCTEOSA-N 1 2 345.468 3.723 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccccc3NC(C)=O)c2c1 ZINC001173993080 1132197650 /nfs/dbraw/zinc/19/76/50/1132197650.db2.gz JQJJQUUZCBQHHR-UHFFFAOYSA-N 1 2 349.390 3.535 20 0 EHADLO O=C(c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1)N1CCCC1 ZINC001174067454 1132225190 /nfs/dbraw/zinc/22/51/90/1132225190.db2.gz FOLXHSPSHWVKIZ-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO c1ccc2c(c1)cncc2Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174101591 1132228697 /nfs/dbraw/zinc/22/86/97/1132228697.db2.gz LVZHPLDZVUGOHH-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CC(C)Oc1cccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001174112594 1132231802 /nfs/dbraw/zinc/23/18/02/1132231802.db2.gz NPQLTGZKGPLOKD-UHFFFAOYSA-N 1 2 327.428 3.574 20 0 EHADLO CC1(C)[C@@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C[C@H]1c1ccccc1 ZINC000766329944 1132239080 /nfs/dbraw/zinc/23/90/80/1132239080.db2.gz FGOHIKQAUQANJJ-PMACEKPBSA-N 1 2 349.478 3.617 20 0 EHADLO Brc1cc(Nc2cccc3n[nH]cc32)c2[nH+]ccn2c1 ZINC001174343064 1132323697 /nfs/dbraw/zinc/32/36/97/1132323697.db2.gz PAALKVQKBMQLJX-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1cc(Nc2cccc3[nH]ncc32)c2[nH+]ccn2c1 ZINC001174343064 1132323703 /nfs/dbraw/zinc/32/37/03/1132323703.db2.gz PAALKVQKBMQLJX-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO CCC[N@@H+](Cc1ccccc1F)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746037713 1132349294 /nfs/dbraw/zinc/34/92/94/1132349294.db2.gz JUYLITVWSIMVDW-IBGZPJMESA-N 1 2 326.415 3.969 20 0 EHADLO CCC[N@H+](Cc1ccccc1F)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746037713 1132349301 /nfs/dbraw/zinc/34/93/01/1132349301.db2.gz JUYLITVWSIMVDW-IBGZPJMESA-N 1 2 326.415 3.969 20 0 EHADLO S=c1n(C[N@H+](CCc2ccccc2)C2CC2)nc2n1CCCCC2 ZINC000746023414 1132349872 /nfs/dbraw/zinc/34/98/72/1132349872.db2.gz UGWOJLBKGHINKG-UHFFFAOYSA-N 1 2 342.512 3.805 20 0 EHADLO S=c1n(C[N@@H+](CCc2ccccc2)C2CC2)nc2n1CCCCC2 ZINC000746023414 1132349880 /nfs/dbraw/zinc/34/98/80/1132349880.db2.gz UGWOJLBKGHINKG-UHFFFAOYSA-N 1 2 342.512 3.805 20 0 EHADLO Clc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001174432659 1132354429 /nfs/dbraw/zinc/35/44/29/1132354429.db2.gz WJCLZMUXLIWKRZ-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO CP(C)(=O)c1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445339 1132361686 /nfs/dbraw/zinc/36/16/86/1132361686.db2.gz DFSKWFFRYNNLGO-UHFFFAOYSA-N 1 2 344.395 3.510 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(C(F)(F)F)nc1Cl ZINC000746175867 1132387867 /nfs/dbraw/zinc/38/78/67/1132387867.db2.gz PYHGLEJIXGARBM-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000746286748 1132397771 /nfs/dbraw/zinc/39/77/71/1132397771.db2.gz FZSBQKZMVLESPC-UYAOXDASSA-N 1 2 337.467 3.883 20 0 EHADLO NC(=O)c1oc2ccccc2c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523669 1132399831 /nfs/dbraw/zinc/39/98/31/1132399831.db2.gz VCSKUWUFFZVPED-UHFFFAOYSA-N 1 2 336.395 3.661 20 0 EHADLO CCc1c(C)sc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C(N)=O ZINC001174523654 1132400256 /nfs/dbraw/zinc/40/02/56/1132400256.db2.gz UMAJSXPWRNPYRI-UHFFFAOYSA-N 1 2 344.484 3.847 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174523341 1132400703 /nfs/dbraw/zinc/40/07/03/1132400703.db2.gz JBJAYPCGSCHEIO-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO COC(=O)Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C ZINC001174524746 1132401026 /nfs/dbraw/zinc/40/10/26/1132401026.db2.gz PFWHGVBCFMYLRT-UHFFFAOYSA-N 1 2 339.439 3.839 20 0 EHADLO CCSc1ccccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746320539 1132436873 /nfs/dbraw/zinc/43/68/73/1132436873.db2.gz RQEQPTAOQGABEU-UHFFFAOYSA-N 1 2 342.455 3.600 20 0 EHADLO CCSc1ccccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746320539 1132436880 /nfs/dbraw/zinc/43/68/80/1132436880.db2.gz RQEQPTAOQGABEU-UHFFFAOYSA-N 1 2 342.455 3.600 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH]c[nH+]2)nc1-c1ccc(F)cc1 ZINC000188984774 1132441613 /nfs/dbraw/zinc/44/16/13/1132441613.db2.gz KVJMIAOSGMGKJW-UHFFFAOYSA-N 1 2 330.388 3.552 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH+]c[nH]2)nc1-c1ccc(F)cc1 ZINC000188984774 1132441618 /nfs/dbraw/zinc/44/16/18/1132441618.db2.gz KVJMIAOSGMGKJW-UHFFFAOYSA-N 1 2 330.388 3.552 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189444864 1132444634 /nfs/dbraw/zinc/44/46/34/1132444634.db2.gz NYJZSSFMLTWFGE-GWCFXTLKSA-N 1 2 339.270 3.954 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193008258 1132478490 /nfs/dbraw/zinc/47/84/90/1132478490.db2.gz CEWXYKPRJCYDSR-CQSZACIVSA-N 1 2 344.455 3.681 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193008258 1132478494 /nfs/dbraw/zinc/47/84/94/1132478494.db2.gz CEWXYKPRJCYDSR-CQSZACIVSA-N 1 2 344.455 3.681 20 0 EHADLO CC(C)(CNC(=O)CCc1c[nH]c[nH+]1)c1c(Cl)cccc1Cl ZINC000193167176 1132479720 /nfs/dbraw/zinc/47/97/20/1132479720.db2.gz RRMCXHLTPXNIJQ-UHFFFAOYSA-N 1 2 340.254 3.743 20 0 EHADLO CC(C)(CNC(=O)CCc1c[nH+]c[nH]1)c1c(Cl)cccc1Cl ZINC000193167176 1132479725 /nfs/dbraw/zinc/47/97/25/1132479725.db2.gz RRMCXHLTPXNIJQ-UHFFFAOYSA-N 1 2 340.254 3.743 20 0 EHADLO COc1ccc(C(C)(C)C)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974478 1132509751 /nfs/dbraw/zinc/50/97/51/1132509751.db2.gz MJNIUQLCUBOJSY-UHFFFAOYSA-N 1 2 341.455 3.968 20 0 EHADLO c1ccc(-c2cccc(Nc3ccc(N4CCOCC4)[nH+]c3)c2)nc1 ZINC001174976423 1132509941 /nfs/dbraw/zinc/50/99/41/1132509941.db2.gz SBKWMHXLOWEHRX-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1cccc(OCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766389477 1132526657 /nfs/dbraw/zinc/52/66/57/1132526657.db2.gz XNVLFKRWOMFETE-UHFFFAOYSA-N 1 2 339.443 3.771 20 0 EHADLO Clc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc2cccnc12 ZINC001174979542 1132534597 /nfs/dbraw/zinc/53/45/97/1132534597.db2.gz OORYFVURIKJQGJ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+]3CC(C)(C)[C@H]3c3cccnc3)C2=O)cc1 ZINC001174984471 1132535695 /nfs/dbraw/zinc/53/56/95/1132535695.db2.gz PMAVJDLGGKGXBD-WOJBJXKFSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+]3CC(C)(C)[C@H]3c3cccnc3)C2=O)cc1 ZINC001174984471 1132535697 /nfs/dbraw/zinc/53/56/97/1132535697.db2.gz PMAVJDLGGKGXBD-WOJBJXKFSA-N 1 2 349.478 3.969 20 0 EHADLO CC(=O)N1CCC[C@H](CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001168784859 1132535801 /nfs/dbraw/zinc/53/58/01/1132535801.db2.gz RJYGWKYFSZIVLM-MRXNPFEDSA-N 1 2 348.450 3.900 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3ccc(F)c(C(F)(F)F)c3)c[nH+]2)C1 ZINC001175074952 1132559993 /nfs/dbraw/zinc/55/99/93/1132559993.db2.gz LFGPXYNRLZBLDI-LBPRGKRZSA-N 1 2 341.308 3.554 20 0 EHADLO COCCCN(c1ccc(OC(C)C)c(C)c1)c1[nH+]cccc1N ZINC001175191886 1132582728 /nfs/dbraw/zinc/58/27/28/1132582728.db2.gz GHXVGORMJCQTFH-UHFFFAOYSA-N 1 2 329.444 3.934 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccccc1C(C)=O ZINC001175176878 1132590176 /nfs/dbraw/zinc/59/01/76/1132590176.db2.gz NTRSKMCOZVFPJP-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO CN(C)c1ccc(Nc2ccc3cnn([C@H]4CCCCO4)c3c2)c[nH+]1 ZINC001175344071 1132628057 /nfs/dbraw/zinc/62/80/57/1132628057.db2.gz SAWUCZIJXBOVJE-LJQANCHMSA-N 1 2 337.427 3.940 20 0 EHADLO Fc1nc(Cl)c(NCCc2cn3ccccc3[nH+]2)c(F)c1Cl ZINC001169000486 1132628489 /nfs/dbraw/zinc/62/84/89/1132628489.db2.gz LXPXMZSIEOXCEW-UHFFFAOYSA-N 1 2 343.164 3.969 20 0 EHADLO Cc1ncc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175345753 1132628591 /nfs/dbraw/zinc/62/85/91/1132628591.db2.gz FGPPFEJDLHRQKX-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CC(C)(C)c1nc(Cl)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169002536 1132628950 /nfs/dbraw/zinc/62/89/50/1132628950.db2.gz QWCASDNRJDYYCT-UHFFFAOYSA-N 1 2 329.835 3.730 20 0 EHADLO COc1cccc(Cn2nccc2Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175347745 1132630409 /nfs/dbraw/zinc/63/04/09/1132630409.db2.gz UFOZEPKIBWTDGA-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO CCOC(=O)c1cc(C)c(NCCc2cn3ccccc3[nH+]2)cc1C ZINC001169008775 1132631649 /nfs/dbraw/zinc/63/16/49/1132631649.db2.gz HCJPBQVPORIKTL-UHFFFAOYSA-N 1 2 337.423 3.782 20 0 EHADLO CCN(CC)c1c(F)cccc1NCCc1cn2ccccc2[nH+]1 ZINC001169009614 1132631859 /nfs/dbraw/zinc/63/18/59/1132631859.db2.gz TYCMXFXGTUQGCZ-UHFFFAOYSA-N 1 2 326.419 3.974 20 0 EHADLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC001175324600 1132639281 /nfs/dbraw/zinc/63/92/81/1132639281.db2.gz BRJQTNXYNAQDFD-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC(C)(C)c1nc2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cn2n1 ZINC001175349589 1132645204 /nfs/dbraw/zinc/64/52/04/1132645204.db2.gz AQWOOXCSSMGSAN-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO CCOC(=O)c1ccc(OC)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349677 1132645636 /nfs/dbraw/zinc/64/56/36/1132645636.db2.gz CIDZMRFNPSVHDF-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO C[C@@H]1Cc2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc2N(C)C1=O ZINC001175353007 1132647353 /nfs/dbraw/zinc/64/73/53/1132647353.db2.gz VDMCMWYGLYLKRY-CQSZACIVSA-N 1 2 336.439 3.580 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491780 1132682328 /nfs/dbraw/zinc/68/23/28/1132682328.db2.gz LSMJQNOBBVHAIO-PZJWPPBQSA-N 1 2 344.474 3.881 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491780 1132682333 /nfs/dbraw/zinc/68/23/33/1132682333.db2.gz LSMJQNOBBVHAIO-PZJWPPBQSA-N 1 2 344.474 3.881 20 0 EHADLO COc1cncc(CCNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)c1 ZINC001169264475 1132705950 /nfs/dbraw/zinc/70/59/50/1132705950.db2.gz NMKKLEPAFOAJEP-UHFFFAOYSA-N 1 2 337.345 3.734 20 0 EHADLO Cc1nc(Nc2ccc(Cl)c(O)c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001212589542 1132731389 /nfs/dbraw/zinc/73/13/89/1132731389.db2.gz QUZFLDCIZYJCTJ-QWRGUYRKSA-N 1 2 348.834 3.501 20 0 EHADLO COc1cc(C(C)=O)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717869 1132743152 /nfs/dbraw/zinc/74/31/52/1132743152.db2.gz UYHVKLDXZSZYIW-UHFFFAOYSA-N 1 2 325.290 3.637 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCSC(C)(C)C ZINC001175748708 1132753046 /nfs/dbraw/zinc/75/30/46/1132753046.db2.gz HITUBATXSXNJHI-GOSISDBHSA-N 1 2 341.492 3.811 20 0 EHADLO CCOC(=O)c1c(C)csc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709879 1132755677 /nfs/dbraw/zinc/75/56/77/1132755677.db2.gz NYMVMZFKOOBQJU-UHFFFAOYSA-N 1 2 345.346 3.973 20 0 EHADLO CCCn1nc(C)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001175799927 1132757607 /nfs/dbraw/zinc/75/76/07/1132757607.db2.gz IKGOOFFDBYYOLY-UHFFFAOYSA-N 1 2 334.221 3.755 20 0 EHADLO c1nc2cc(Nc3ccccc3C[NH+]3CCOCC3)ccc2s1 ZINC001175913358 1132796074 /nfs/dbraw/zinc/79/60/74/1132796074.db2.gz AMGAJRUTVFMLJB-UHFFFAOYSA-N 1 2 325.437 3.872 20 0 EHADLO O[C@H]1c2ccccc2CC[C@@H]1Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169624715 1132799807 /nfs/dbraw/zinc/79/98/07/1132799807.db2.gz BAFDOPYMKZZGGS-FPOVZHCZSA-N 1 2 347.418 3.516 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001175934453 1132801002 /nfs/dbraw/zinc/80/10/02/1132801002.db2.gz BSXVKYLWJCKXLJ-AWEZNQCLSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001175934453 1132800997 /nfs/dbraw/zinc/80/09/97/1132800997.db2.gz BSXVKYLWJCKXLJ-AWEZNQCLSA-N 1 2 334.769 3.861 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(C)c(N)c(C)c3)c2c1 ZINC001175933010 1132801578 /nfs/dbraw/zinc/80/15/78/1132801578.db2.gz QMZUWWMOQQTRLU-UHFFFAOYSA-N 1 2 335.407 3.776 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)[nH+]c1C ZINC001176076401 1132829889 /nfs/dbraw/zinc/82/98/89/1132829889.db2.gz FOMLCRNHIAWMLM-MRXNPFEDSA-N 1 2 343.862 3.904 20 0 EHADLO CCOc1cc[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176089299 1132832331 /nfs/dbraw/zinc/83/23/31/1132832331.db2.gz PYAXCYDPDJCAOU-CABCVRRESA-N 1 2 345.443 3.948 20 0 EHADLO COc1cc[nH+]cc1Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC001176124552 1132853080 /nfs/dbraw/zinc/85/30/80/1132853080.db2.gz QVSKDVHKVFYRFL-UHFFFAOYSA-N 1 2 332.425 3.550 20 0 EHADLO COc1cc[nH+]cc1Nc1c(F)cccc1I ZINC001176124840 1132853290 /nfs/dbraw/zinc/85/32/90/1132853290.db2.gz RAUNJPYVTZCWID-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO CCOc1ccccc1OCCNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001169788107 1132859281 /nfs/dbraw/zinc/85/92/81/1132859281.db2.gz WBBPZILNEBANBH-UHFFFAOYSA-N 1 2 335.835 3.691 20 0 EHADLO Cc1ccc(NC(=O)c2cnc(Cl)c3ccccc23)c(N(C)C)[nH+]1 ZINC000766837150 1132863528 /nfs/dbraw/zinc/86/35/28/1132863528.db2.gz WZZUFBIFMLMVEJ-UHFFFAOYSA-N 1 2 340.814 3.910 20 0 EHADLO COc1cc(Nc2cc(C(=O)N3CCCC3)ccc2F)[nH+]cc1C ZINC001176212724 1132876238 /nfs/dbraw/zinc/87/62/38/1132876238.db2.gz RAINEYSRUKLKEP-UHFFFAOYSA-N 1 2 329.375 3.517 20 0 EHADLO Cc1ccc(C=CNc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001176425380 1132935951 /nfs/dbraw/zinc/93/59/51/1132935951.db2.gz ZVSAURHUQDMXOU-ZHACJKMWSA-N 1 2 349.478 3.599 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000767042546 1132938166 /nfs/dbraw/zinc/93/81/66/1132938166.db2.gz ODHSXNDRADJQKQ-UHFFFAOYSA-N 1 2 330.463 3.781 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000767042546 1132938168 /nfs/dbraw/zinc/93/81/68/1132938168.db2.gz ODHSXNDRADJQKQ-UHFFFAOYSA-N 1 2 330.463 3.781 20 0 EHADLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC001176674415 1132980881 /nfs/dbraw/zinc/98/08/81/1132980881.db2.gz FDTZJUPUULRXRA-SFHVURJKSA-N 1 2 340.414 3.694 20 0 EHADLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001176674415 1132980884 /nfs/dbraw/zinc/98/08/84/1132980884.db2.gz FDTZJUPUULRXRA-SFHVURJKSA-N 1 2 340.414 3.694 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(C(=O)N2CCCCC2)ccc1F ZINC001176684042 1132982558 /nfs/dbraw/zinc/98/25/58/1132982558.db2.gz PXGBZHQRLYXURP-UHFFFAOYSA-N 1 2 329.375 3.599 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C)c1 ZINC001176748984 1132991657 /nfs/dbraw/zinc/99/16/57/1132991657.db2.gz MUJNLMQISBAIBE-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CCOCC2CCCC2)CCCCC1 ZINC001176814053 1133001910 /nfs/dbraw/zinc/00/19/10/1133001910.db2.gz JQLSBWHYRHIQJB-UHFFFAOYSA-N 1 2 325.493 3.827 20 0 EHADLO CC(C)Oc1cc(NC(=O)CCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC001176879042 1133007351 /nfs/dbraw/zinc/00/73/51/1133007351.db2.gz ZJPSZRYRALKSAI-UHFFFAOYSA-N 1 2 341.333 3.718 20 0 EHADLO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1cc[nH+]c1 ZINC001176883071 1133007584 /nfs/dbraw/zinc/00/75/84/1133007584.db2.gz CNBXAQQQFFQIBF-KRWDZBQOSA-N 1 2 338.455 3.672 20 0 EHADLO O=C(Nc1csc2cnccc12)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956510 1133015316 /nfs/dbraw/zinc/01/53/16/1133015316.db2.gz DTKJHHYNRVLMQJ-ZDUSSCGKSA-N 1 2 338.436 3.546 20 0 EHADLO O=C(Nc1ccccc1C(F)F)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176965992 1133017481 /nfs/dbraw/zinc/01/74/81/1133017481.db2.gz VIVXJTBTBQEDPU-CYBMUJFWSA-N 1 2 331.366 3.874 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(F)c1 ZINC001177190720 1133041660 /nfs/dbraw/zinc/04/16/60/1133041660.db2.gz FSDDKXZOXBXJIP-HXUWFJFHSA-N 1 2 346.409 3.987 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001177225766 1133043069 /nfs/dbraw/zinc/04/30/69/1133043069.db2.gz KYBRJJKCJUEDFR-UHFFFAOYSA-N 1 2 344.418 3.876 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cn1ccn(Cc2ccccc2)c1=S ZINC000767772102 1133050960 /nfs/dbraw/zinc/05/09/60/1133050960.db2.gz OOEBMISOWZCCNM-UHFFFAOYSA-N 1 2 333.501 3.772 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cn1ccn(Cc2ccccc2)c1=S ZINC000767772102 1133050965 /nfs/dbraw/zinc/05/09/65/1133050965.db2.gz OOEBMISOWZCCNM-UHFFFAOYSA-N 1 2 333.501 3.772 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000767770238 1133051733 /nfs/dbraw/zinc/05/17/33/1133051733.db2.gz ICIFYPXUEFXAOL-FJVVXJACSA-N 1 2 346.525 3.896 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000767770238 1133051739 /nfs/dbraw/zinc/05/17/39/1133051739.db2.gz ICIFYPXUEFXAOL-FJVVXJACSA-N 1 2 346.525 3.896 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767795738 1133055668 /nfs/dbraw/zinc/05/56/68/1133055668.db2.gz KYYKIAYIKFRZRW-BRWVUGGUSA-N 1 2 332.492 3.668 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2ccc(CNc3cccc[nH+]3)cc2C1 ZINC001177370864 1133057807 /nfs/dbraw/zinc/05/78/07/1133057807.db2.gz QZGFASNVQCFOAF-UHFFFAOYSA-N 1 2 339.439 3.987 20 0 EHADLO Fc1c(Br)cccc1C[NH2+]Cc1cn2ccsc2n1 ZINC001177519912 1133073143 /nfs/dbraw/zinc/07/31/43/1133073143.db2.gz RSUPITALJAHNGB-UHFFFAOYSA-N 1 2 340.221 3.587 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+](Cn3ccc(Br)n3)C2)cc1 ZINC000767974081 1133076212 /nfs/dbraw/zinc/07/62/12/1133076212.db2.gz RSVYLIKJNAVWAX-GFCCVEGCSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+](Cn3ccc(Br)n3)C2)cc1 ZINC000767974081 1133076216 /nfs/dbraw/zinc/07/62/16/1133076216.db2.gz RSVYLIKJNAVWAX-GFCCVEGCSA-N 1 2 340.652 3.746 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ccc(Br)n2)CC[C@@H]1c1ccccc1 ZINC000767968450 1133078634 /nfs/dbraw/zinc/07/86/34/1133078634.db2.gz GOARYLBWIUVVOR-HIFRSBDPSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ccc(Br)n2)CC[C@@H]1c1ccccc1 ZINC000767968450 1133078639 /nfs/dbraw/zinc/07/86/39/1133078639.db2.gz GOARYLBWIUVVOR-HIFRSBDPSA-N 1 2 334.261 3.729 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccco3)sc2c1 ZINC001177613170 1133087138 /nfs/dbraw/zinc/08/71/38/1133087138.db2.gz RYJCLCMQFOZVIQ-HNNXBMFYSA-N 1 2 341.436 3.801 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccco3)sc2c1 ZINC001177613170 1133087145 /nfs/dbraw/zinc/08/71/45/1133087145.db2.gz RYJCLCMQFOZVIQ-HNNXBMFYSA-N 1 2 341.436 3.801 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000768142618 1133096368 /nfs/dbraw/zinc/09/63/68/1133096368.db2.gz IOPVEACEKBBPDC-ZDUSSCGKSA-N 1 2 341.436 3.761 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000768154335 1133102573 /nfs/dbraw/zinc/10/25/73/1133102573.db2.gz KLHKTFVGUHERPZ-MRXNPFEDSA-N 1 2 345.874 3.721 20 0 EHADLO CC[C@H](C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000768158591 1133102680 /nfs/dbraw/zinc/10/26/80/1133102680.db2.gz ZCGPPPFJVVEOSZ-MAUKXSAKSA-N 1 2 325.456 3.953 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001204205419 1133109314 /nfs/dbraw/zinc/10/93/14/1133109314.db2.gz SNFTXAFJGWCRCZ-SECBINFHSA-N 1 2 347.287 3.746 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001204205419 1133109316 /nfs/dbraw/zinc/10/93/16/1133109316.db2.gz SNFTXAFJGWCRCZ-SECBINFHSA-N 1 2 347.287 3.746 20 0 EHADLO COc1cc2c(cc1C[N@H+](C)Cc1ccc(Cl)nc1)O[C@@H](C)C2 ZINC000768238219 1133112954 /nfs/dbraw/zinc/11/29/54/1133112954.db2.gz WRTAEPNAGDBKFX-LBPRGKRZSA-N 1 2 332.831 3.699 20 0 EHADLO COc1cc2c(cc1C[N@@H+](C)Cc1ccc(Cl)nc1)O[C@@H](C)C2 ZINC000768238219 1133112956 /nfs/dbraw/zinc/11/29/56/1133112956.db2.gz WRTAEPNAGDBKFX-LBPRGKRZSA-N 1 2 332.831 3.699 20 0 EHADLO O=C(Cc1ccccc1-c1cccnc1)Nc1cccc2[nH+]ccn21 ZINC001177971760 1133116203 /nfs/dbraw/zinc/11/62/03/1133116203.db2.gz NZMCNSWKQCMTJZ-UHFFFAOYSA-N 1 2 328.375 3.578 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC1CCN(C(=O)c2ccncc2)CC1 ZINC000768525487 1133149447 /nfs/dbraw/zinc/14/94/47/1133149447.db2.gz IUZDOYDUTYJQAT-UHFFFAOYSA-N 1 2 346.434 3.655 20 0 EHADLO CC(C)c1ncc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)s1 ZINC000768533089 1133151416 /nfs/dbraw/zinc/15/14/16/1133151416.db2.gz BLLYUPQWJNGIEA-UHFFFAOYSA-N 1 2 345.516 3.502 20 0 EHADLO CCCn1c[nH+]cc1CNc1cc([C@H](O)c2ccccn2)ccc1C ZINC001178705645 1133193009 /nfs/dbraw/zinc/19/30/09/1133193009.db2.gz YBTLUKVXJVUEES-FQEVSTJZSA-N 1 2 336.439 3.690 20 0 EHADLO C[N@H+](Cc1c(Cl)oc2ccccc21)Cc1cccc(C(N)=O)c1 ZINC000768926674 1133204799 /nfs/dbraw/zinc/20/47/99/1133204799.db2.gz LQHDEGODUMOHPE-UHFFFAOYSA-N 1 2 328.799 3.817 20 0 EHADLO C[N@@H+](Cc1c(Cl)oc2ccccc21)Cc1cccc(C(N)=O)c1 ZINC000768926674 1133204804 /nfs/dbraw/zinc/20/48/04/1133204804.db2.gz LQHDEGODUMOHPE-UHFFFAOYSA-N 1 2 328.799 3.817 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H](F)c2ccccc2)[nH+]1 ZINC000769299961 1133255442 /nfs/dbraw/zinc/25/54/42/1133255442.db2.gz URHHCYWDVDVBIX-SFHVURJKSA-N 1 2 331.387 3.593 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2cccc3[nH]ccc32)n1 ZINC001179575323 1133260210 /nfs/dbraw/zinc/26/02/10/1133260210.db2.gz ODBBSUNGEQIYQA-UHFFFAOYSA-N 1 2 336.370 3.571 20 0 EHADLO Brc1cccnc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC001179794064 1133283183 /nfs/dbraw/zinc/28/31/83/1133283183.db2.gz RYXNYODCYSEPCD-UHFFFAOYSA-N 1 2 347.256 3.923 20 0 EHADLO Cc1cccc(NC(=O)c2cccc3[nH+]ccn32)c1Br ZINC000769495488 1133301282 /nfs/dbraw/zinc/30/12/82/1133301282.db2.gz LJIJRQCBEPCQGL-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO Fc1cccc(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1F ZINC001203187817 1133325282 /nfs/dbraw/zinc/32/52/82/1133325282.db2.gz NQPZRGUNYKDKPB-MRXNPFEDSA-N 1 2 325.362 3.928 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(CC2CCC2)c1 ZINC001180112432 1133333653 /nfs/dbraw/zinc/33/36/53/1133333653.db2.gz KCRWFFRBTYFEQS-HXUWFJFHSA-N 1 2 339.483 3.943 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(CC2CCC2)c1 ZINC001180112432 1133333657 /nfs/dbraw/zinc/33/36/57/1133333657.db2.gz KCRWFFRBTYFEQS-HXUWFJFHSA-N 1 2 339.483 3.943 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001180218552 1133345952 /nfs/dbraw/zinc/34/59/52/1133345952.db2.gz CLWNHEDWGSNBRB-LLVKDONJSA-N 1 2 340.254 3.932 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001180218552 1133345958 /nfs/dbraw/zinc/34/59/58/1133345958.db2.gz CLWNHEDWGSNBRB-LLVKDONJSA-N 1 2 340.254 3.932 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccccc2F)n2c1CCCC2 ZINC001180394544 1133365546 /nfs/dbraw/zinc/36/55/46/1133365546.db2.gz XIGIDUSWTYVEIF-CQSZACIVSA-N 1 2 344.430 3.943 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccccc2F)n2c1CCCC2 ZINC001180394544 1133365553 /nfs/dbraw/zinc/36/55/53/1133365553.db2.gz XIGIDUSWTYVEIF-CQSZACIVSA-N 1 2 344.430 3.943 20 0 EHADLO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc2[nH+]ccn21 ZINC000770056165 1133383207 /nfs/dbraw/zinc/38/32/07/1133383207.db2.gz DDGGJUHVTRAMEL-UHFFFAOYSA-N 1 2 335.363 3.628 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c(Cl)c1 ZINC000773887194 1133435327 /nfs/dbraw/zinc/43/53/27/1133435327.db2.gz CUIUQYUMEVHING-IBGZPJMESA-N 1 2 342.870 3.881 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c(Cl)c1 ZINC000773887194 1133435330 /nfs/dbraw/zinc/43/53/30/1133435330.db2.gz CUIUQYUMEVHING-IBGZPJMESA-N 1 2 342.870 3.881 20 0 EHADLO CCCC(=CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CCC ZINC000770596280 1133448762 /nfs/dbraw/zinc/44/87/62/1133448762.db2.gz OPOIWZHRWFWJAM-UHFFFAOYSA-N 1 2 344.499 3.662 20 0 EHADLO COc1ccc2cccc(CC(=O)NCc3c[nH+]cn3C3CCC3)c2c1 ZINC001181245505 1133467788 /nfs/dbraw/zinc/46/77/88/1133467788.db2.gz RYDIZSRQYOHDAY-UHFFFAOYSA-N 1 2 349.434 3.629 20 0 EHADLO COc1cc2c(cc1NC(=O)Cc1cc[nH+]c(N)c1)oc1ccccc12 ZINC001181264238 1133473746 /nfs/dbraw/zinc/47/37/46/1133473746.db2.gz UROUFZHMCNDBBF-UHFFFAOYSA-N 1 2 347.374 3.753 20 0 EHADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C(F)=C1CCC1 ZINC001181359577 1133480399 /nfs/dbraw/zinc/48/03/99/1133480399.db2.gz BZCIWKJHJOBKGY-UHFFFAOYSA-N 1 2 347.821 3.651 20 0 EHADLO CC(C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)=C1CCC1 ZINC001181360655 1133480471 /nfs/dbraw/zinc/48/04/71/1133480471.db2.gz SWLPVQIVRJRRPU-UHFFFAOYSA-N 1 2 343.858 3.744 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000770925088 1133485310 /nfs/dbraw/zinc/48/53/10/1133485310.db2.gz IYZJROXPDMVZTK-UHFFFAOYSA-N 1 2 336.269 3.590 20 0 EHADLO Cc1cccc(CSCC(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770925004 1133485816 /nfs/dbraw/zinc/48/58/16/1133485816.db2.gz MIVFJMDSKVXMBH-UHFFFAOYSA-N 1 2 326.421 3.619 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925733 1133485823 /nfs/dbraw/zinc/48/58/23/1133485823.db2.gz ODZLJJSLNDTGCR-CYBMUJFWSA-N 1 2 344.411 3.945 20 0 EHADLO Cc1ccc2c(CCC(=O)OCc3cccc4[nH+]ccn43)c[nH]c2c1 ZINC000770928061 1133486229 /nfs/dbraw/zinc/48/62/29/1133486229.db2.gz JXHVTWOZNYWSKY-UHFFFAOYSA-N 1 2 333.391 3.800 20 0 EHADLO CCc1ncsc1NC(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181485593 1133496829 /nfs/dbraw/zinc/49/68/29/1133496829.db2.gz PLXYJSLHHRDUIZ-UHFFFAOYSA-N 1 2 341.480 3.699 20 0 EHADLO CCc1ncsc1NC(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181485593 1133496833 /nfs/dbraw/zinc/49/68/33/1133496833.db2.gz PLXYJSLHHRDUIZ-UHFFFAOYSA-N 1 2 341.480 3.699 20 0 EHADLO O=C(Cc1ccc2[nH]c3ccccc3c2c1)Nc1cc[nH+]c2c1CCC2 ZINC001182068200 1133572112 /nfs/dbraw/zinc/57/21/12/1133572112.db2.gz ZCURVDRHHRVECC-UHFFFAOYSA-N 1 2 341.414 3.808 20 0 EHADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC3CCCC3)c2)n1 ZINC000771864480 1133603267 /nfs/dbraw/zinc/60/32/67/1133603267.db2.gz OJKRVASZWAUNQJ-UHFFFAOYSA-N 1 2 326.444 3.585 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182238620 1133605549 /nfs/dbraw/zinc/60/55/49/1133605549.db2.gz VHOXGRTURHPUOA-SFHVURJKSA-N 1 2 334.423 3.530 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182238620 1133605551 /nfs/dbraw/zinc/60/55/51/1133605551.db2.gz VHOXGRTURHPUOA-SFHVURJKSA-N 1 2 334.423 3.530 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1F ZINC001182287604 1133616906 /nfs/dbraw/zinc/61/69/06/1133616906.db2.gz RKVSIIXUMRQXBK-ZWKOTPCHSA-N 1 2 335.382 3.813 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000774124907 1133617604 /nfs/dbraw/zinc/61/76/04/1133617604.db2.gz ZABAGCASOSVCOR-UHFFFAOYSA-N 1 2 326.318 3.617 20 0 EHADLO O[C@@H](C[N@H+](Cc1ccccc1)Cc1cccc(Cl)n1)C(F)(F)F ZINC000781339954 1133619457 /nfs/dbraw/zinc/61/94/57/1133619457.db2.gz RKXZDISDFBYTEC-AWEZNQCLSA-N 1 2 344.764 3.660 20 0 EHADLO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)n1)C(F)(F)F ZINC000781339954 1133619461 /nfs/dbraw/zinc/61/94/61/1133619461.db2.gz RKXZDISDFBYTEC-AWEZNQCLSA-N 1 2 344.764 3.660 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000771959194 1133620585 /nfs/dbraw/zinc/62/05/85/1133620585.db2.gz PUMGOFKKRBLIQN-STQMWFEESA-N 1 2 325.195 3.537 20 0 EHADLO Cc1sc(C(=O)OCCn2cc[nH+]c2)cc1-c1ccc(F)cc1 ZINC000771992337 1133624941 /nfs/dbraw/zinc/62/49/41/1133624941.db2.gz HMJPNVPWUIJTDJ-UHFFFAOYSA-N 1 2 330.384 3.916 20 0 EHADLO O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000774169338 1133627477 /nfs/dbraw/zinc/62/74/77/1133627477.db2.gz TZCCNKMIOBUSPW-VURMDHGXSA-N 1 2 342.402 3.683 20 0 EHADLO CCC(C)(C)NC(=S)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000774176551 1133635376 /nfs/dbraw/zinc/63/53/76/1133635376.db2.gz MZUDMJFEWYQIFC-CQSZACIVSA-N 1 2 335.517 3.555 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182360801 1133645075 /nfs/dbraw/zinc/64/50/75/1133645075.db2.gz PXFFTFDIODYHGT-KBPBESRZSA-N 1 2 346.352 3.753 20 0 EHADLO CC(C)C(CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000772360093 1133674547 /nfs/dbraw/zinc/67/45/47/1133674547.db2.gz NITJWDZXYAJVCX-UHFFFAOYSA-N 1 2 328.460 3.600 20 0 EHADLO C/C(=C\C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000746538626 1133684476 /nfs/dbraw/zinc/68/44/76/1133684476.db2.gz AAUWPPYPPZAMIZ-NTCAYCPXSA-N 1 2 337.398 3.544 20 0 EHADLO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1O ZINC001182489200 1133694858 /nfs/dbraw/zinc/69/48/58/1133694858.db2.gz ASQHQPCMFDMMAW-ZDUSSCGKSA-N 1 2 342.842 3.569 20 0 EHADLO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1O ZINC001182489200 1133694860 /nfs/dbraw/zinc/69/48/60/1133694860.db2.gz ASQHQPCMFDMMAW-ZDUSSCGKSA-N 1 2 342.842 3.569 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[NH2+]C2(c3nccs3)CCCC2)C(=O)O1 ZINC000785507327 1133714989 /nfs/dbraw/zinc/71/49/89/1133714989.db2.gz KVIRBLFWOMUFST-CYBMUJFWSA-N 1 2 337.489 3.717 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000785734586 1133743408 /nfs/dbraw/zinc/74/34/08/1133743408.db2.gz TZLYQNONDAAXGU-QWRGUYRKSA-N 1 2 344.238 3.592 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001183246394 1133785168 /nfs/dbraw/zinc/78/51/68/1133785168.db2.gz GGCJDMLPEZJJKL-UHFFFAOYSA-N 1 2 339.464 3.990 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001170053546 1133788047 /nfs/dbraw/zinc/78/80/47/1133788047.db2.gz OEVDFVHPRLBQQC-HNNXBMFYSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001170053546 1133788050 /nfs/dbraw/zinc/78/80/50/1133788050.db2.gz OEVDFVHPRLBQQC-HNNXBMFYSA-N 1 2 342.842 3.922 20 0 EHADLO Cn1cccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001203267213 1133810673 /nfs/dbraw/zinc/81/06/73/1133810673.db2.gz FTEOVQXSVRFIDG-UHFFFAOYSA-N 1 2 341.352 3.505 20 0 EHADLO Cc1c(Cl)cc(NC(=O)C23CCC[NH+]2CCC3)c(O)c1Cl ZINC001183556322 1133823004 /nfs/dbraw/zinc/82/30/04/1133823004.db2.gz DVIWFOVKPMXCST-UHFFFAOYSA-N 1 2 329.227 3.574 20 0 EHADLO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCc2c3ccccc3oc2C1 ZINC001183747426 1133852750 /nfs/dbraw/zinc/85/27/50/1133852750.db2.gz CKNHCCSRNIXJAY-IBGZPJMESA-N 1 2 346.430 3.592 20 0 EHADLO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCc2c3ccccc3oc2C1 ZINC001183747426 1133852758 /nfs/dbraw/zinc/85/27/58/1133852758.db2.gz CKNHCCSRNIXJAY-IBGZPJMESA-N 1 2 346.430 3.592 20 0 EHADLO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCc2c3ccccc3oc2C1 ZINC001183747430 1133853375 /nfs/dbraw/zinc/85/33/75/1133853375.db2.gz CKNHCCSRNIXJAY-LJQANCHMSA-N 1 2 346.430 3.592 20 0 EHADLO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCc2c3ccccc3oc2C1 ZINC001183747430 1133853382 /nfs/dbraw/zinc/85/33/82/1133853382.db2.gz CKNHCCSRNIXJAY-LJQANCHMSA-N 1 2 346.430 3.592 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC001183855320 1133866132 /nfs/dbraw/zinc/86/61/32/1133866132.db2.gz OKRJNBISNMUHSO-BFVZDQMLSA-N 1 2 348.390 3.655 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC001183855320 1133866138 /nfs/dbraw/zinc/86/61/38/1133866138.db2.gz OKRJNBISNMUHSO-BFVZDQMLSA-N 1 2 348.390 3.655 20 0 EHADLO Nc1ccc(CCC(=O)NC2(c3cccc4ccccc43)CC2)c[nH+]1 ZINC001183939377 1133875383 /nfs/dbraw/zinc/87/53/83/1133875383.db2.gz MAJHXLOFXRSXJT-UHFFFAOYSA-N 1 2 331.419 3.555 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)nc1 ZINC000786982722 1133936347 /nfs/dbraw/zinc/93/63/47/1133936347.db2.gz RNFFMIFNIUJQQD-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO Cn1nc(Br)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000787048498 1133943225 /nfs/dbraw/zinc/94/32/25/1133943225.db2.gz GTYJTZNXAPKUNX-UHFFFAOYSA-N 1 2 348.288 3.637 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(C(C)(C)C)ccn2)[C@H](c2ccccc2)C1 ZINC001184541903 1133950991 /nfs/dbraw/zinc/95/09/91/1133950991.db2.gz OXLKJJYCTNIGIG-IBGZPJMESA-N 1 2 337.467 3.508 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(C(C)(C)C)ccn2)[C@H](c2ccccc2)C1 ZINC001184541903 1133950995 /nfs/dbraw/zinc/95/09/95/1133950995.db2.gz OXLKJJYCTNIGIG-IBGZPJMESA-N 1 2 337.467 3.508 20 0 EHADLO Cc1cc(NCCc2cnn(-c3ccccc3)c2)nc(C2CCC2)[nH+]1 ZINC001184720058 1133980083 /nfs/dbraw/zinc/98/00/83/1133980083.db2.gz NJPUYLIFJXXZRK-UHFFFAOYSA-N 1 2 333.439 3.893 20 0 EHADLO COC(=O)c1ccc(Sc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001184740299 1133986114 /nfs/dbraw/zinc/98/61/14/1133986114.db2.gz OVJAJNLEEPZANH-UHFFFAOYSA-N 1 2 335.388 3.820 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000787363193 1133996260 /nfs/dbraw/zinc/99/62/60/1133996260.db2.gz JCXPPKUVYUQXSS-GFCCVEGCSA-N 1 2 332.831 3.804 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000787363193 1133996266 /nfs/dbraw/zinc/99/62/66/1133996266.db2.gz JCXPPKUVYUQXSS-GFCCVEGCSA-N 1 2 332.831 3.804 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CC1 ZINC000787442090 1134004350 /nfs/dbraw/zinc/00/43/50/1134004350.db2.gz SYIWMBKANLJEES-GFCCVEGCSA-N 1 2 347.484 3.533 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CC1 ZINC000787442090 1134004354 /nfs/dbraw/zinc/00/43/54/1134004354.db2.gz SYIWMBKANLJEES-GFCCVEGCSA-N 1 2 347.484 3.533 20 0 EHADLO C[C@H](COc1cccc(F)c1)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185065110 1134021148 /nfs/dbraw/zinc/02/11/48/1134021148.db2.gz PGBVQRJCCPTSRU-CYBMUJFWSA-N 1 2 336.370 3.901 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(F)c(F)c1 ZINC001185090296 1134027036 /nfs/dbraw/zinc/02/70/36/1134027036.db2.gz TYFKPGTXMRXJFB-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000788020272 1134074939 /nfs/dbraw/zinc/07/49/39/1134074939.db2.gz OWVDDJHWTRKFRA-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000788020272 1134074946 /nfs/dbraw/zinc/07/49/46/1134074946.db2.gz OWVDDJHWTRKFRA-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC001185485673 1134096753 /nfs/dbraw/zinc/09/67/53/1134096753.db2.gz XBSPIZHWHBIBGE-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)c1nc2cc(C)ccc2o1 ZINC001185584857 1134110545 /nfs/dbraw/zinc/11/05/45/1134110545.db2.gz UZXHJYSHXVTNFZ-UHFFFAOYSA-N 1 2 345.487 3.855 20 0 EHADLO COCCCCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001185627003 1134114901 /nfs/dbraw/zinc/11/49/01/1134114901.db2.gz DJGDUXGPIQHVKO-HNNXBMFYSA-N 1 2 347.286 3.529 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)c1nnc2n1CCCCC2 ZINC000788590828 1134148691 /nfs/dbraw/zinc/14/86/91/1134148691.db2.gz WJKSLZCVDZJGPW-ZIAGYGMSSA-N 1 2 345.878 3.781 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000746755289 1134158967 /nfs/dbraw/zinc/15/89/67/1134158967.db2.gz NHFRRZVBXMRURM-WFASDCNBSA-N 1 2 333.476 3.816 20 0 EHADLO CCOC(=O)N1CCC[C@H]([C@H](C)Nc2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001186185516 1134179170 /nfs/dbraw/zinc/17/91/70/1134179170.db2.gz XZDLPNWXUFONON-HOCLYGCPSA-N 1 2 346.475 3.721 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)sc1Cl ZINC000788842968 1134181842 /nfs/dbraw/zinc/18/18/42/1134181842.db2.gz KXANAYIUXMWLMJ-UHFFFAOYSA-N 1 2 344.889 3.572 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H](Nc3[nH+]c4ccccc4n3C)C2=O)c(C)c1 ZINC000788872631 1134185534 /nfs/dbraw/zinc/18/55/34/1134185534.db2.gz RQMYNWNHBBJVEY-QGZVFWFLSA-N 1 2 348.450 3.716 20 0 EHADLO Brc1cccnc1NCc1ccccc1Cn1cc[nH+]c1 ZINC001186640299 1134240895 /nfs/dbraw/zinc/24/08/95/1134240895.db2.gz ZUQRMWMKCRHAJB-UHFFFAOYSA-N 1 2 343.228 3.701 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)NC12CC3CC(CC(C3)C1)C2 ZINC001186647415 1134241716 /nfs/dbraw/zinc/24/17/16/1134241716.db2.gz SRJOAMQYRDBPJC-UHFFFAOYSA-N 1 2 336.439 3.963 20 0 EHADLO CCSCc1ccccc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000789451977 1134277059 /nfs/dbraw/zinc/27/70/59/1134277059.db2.gz CBQOMROOTSTQAH-UHFFFAOYSA-N 1 2 326.421 3.944 20 0 EHADLO Cc1ccccc1CC(N)=[NH+]O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000789597969 1134304310 /nfs/dbraw/zinc/30/43/10/1134304310.db2.gz VVIOYOZSZCVWHT-AWEZNQCLSA-N 1 2 336.395 3.847 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000775101667 1134308950 /nfs/dbraw/zinc/30/89/50/1134308950.db2.gz KDGJJZNGTLWBLM-ZDUSSCGKSA-N 1 2 327.428 3.997 20 0 EHADLO Cc1cccc2c1OCC[C@H]2OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000789678370 1134320126 /nfs/dbraw/zinc/32/01/26/1134320126.db2.gz HOEVWCPSUQUGLE-LJQANCHMSA-N 1 2 348.402 3.920 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000789768378 1134328856 /nfs/dbraw/zinc/32/88/56/1134328856.db2.gz MPECOWSAAVRVGN-CYBMUJFWSA-N 1 2 341.411 3.702 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000789768378 1134328862 /nfs/dbraw/zinc/32/88/62/1134328862.db2.gz MPECOWSAAVRVGN-CYBMUJFWSA-N 1 2 341.411 3.702 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000789791251 1134334470 /nfs/dbraw/zinc/33/44/70/1134334470.db2.gz IBDXUQBSOOUWGP-UHFFFAOYSA-N 1 2 330.403 3.547 20 0 EHADLO CCc1ccccc1NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001187636813 1134360258 /nfs/dbraw/zinc/36/02/58/1134360258.db2.gz RDWKWWKLHWWWPA-UHFFFAOYSA-N 1 2 339.439 3.725 20 0 EHADLO Cc1c(Br)ccc(NC(=O)c2cccc3[nH+]ccn32)c1F ZINC000790140728 1134373352 /nfs/dbraw/zinc/37/33/52/1134373352.db2.gz KEEIYGRYOMLATH-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CC(C)n1cc(C(=O)Nc2cccc3[nH+]ccn32)c(C(F)(F)F)c1 ZINC001187773752 1134377143 /nfs/dbraw/zinc/37/71/43/1134377143.db2.gz KVFAXCXPZVJWRW-UHFFFAOYSA-N 1 2 336.317 3.988 20 0 EHADLO COCC[N@H+](Cn1nc(C2CC2)sc1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790477736 1134422589 /nfs/dbraw/zinc/42/25/89/1134422589.db2.gz HPKSTAKYXKCXKJ-DGCLKSJQSA-N 1 2 327.519 3.646 20 0 EHADLO COCC[N@@H+](Cn1nc(C2CC2)sc1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790477736 1134422594 /nfs/dbraw/zinc/42/25/94/1134422594.db2.gz HPKSTAKYXKCXKJ-DGCLKSJQSA-N 1 2 327.519 3.646 20 0 EHADLO CSc1cccc(NC(=O)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001188066845 1134423118 /nfs/dbraw/zinc/42/31/18/1134423118.db2.gz ZUCKJAFUCVLZPB-UHFFFAOYSA-N 1 2 330.457 3.727 20 0 EHADLO CC(C)[NH+]1CC(NC(F)(F)c2cc3ccccc3nc2Cl)C1 ZINC001157531551 1134432733 /nfs/dbraw/zinc/43/27/33/1134432733.db2.gz OTQZSXPAROTYEH-UHFFFAOYSA-N 1 2 325.790 3.620 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccccc3CC(C)C)[nH+]c12 ZINC000790704612 1134455672 /nfs/dbraw/zinc/45/56/72/1134455672.db2.gz DIDPBMTWIIHTAP-UHFFFAOYSA-N 1 2 335.451 3.814 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001188403307 1134465321 /nfs/dbraw/zinc/46/53/21/1134465321.db2.gz FVXMVHPHQXNXBR-CYBMUJFWSA-N 1 2 349.793 3.949 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)Oc1ccccc1 ZINC000791258376 1134523143 /nfs/dbraw/zinc/52/31/43/1134523143.db2.gz HFDJLRBADANGCN-INIZCTEOSA-N 1 2 336.391 3.691 20 0 EHADLO Cc1ccccc1C[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791452124 1134553537 /nfs/dbraw/zinc/55/35/37/1134553537.db2.gz AXYNVZOZXBRJIO-UHFFFAOYSA-N 1 2 343.492 3.574 20 0 EHADLO Cc1ccccc1C[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791452124 1134553538 /nfs/dbraw/zinc/55/35/38/1134553538.db2.gz AXYNVZOZXBRJIO-UHFFFAOYSA-N 1 2 343.492 3.574 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(OC(F)(F)F)cc1 ZINC000791576385 1134570471 /nfs/dbraw/zinc/57/04/71/1134570471.db2.gz JADWSAOKBMPEOY-NSHDSACASA-N 1 2 349.312 3.724 20 0 EHADLO Nc1cc(COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc[nH+]1 ZINC000791638160 1134583069 /nfs/dbraw/zinc/58/30/69/1134583069.db2.gz LRUFNFXVGROGAB-UHFFFAOYSA-N 1 2 338.338 3.952 20 0 EHADLO Nc1cc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)cc[nH+]1 ZINC000791644737 1134584449 /nfs/dbraw/zinc/58/44/49/1134584449.db2.gz WEQNFXRLJIWUJV-UHFFFAOYSA-N 1 2 338.388 3.642 20 0 EHADLO Nc1cc(COC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc[nH+]1 ZINC000791760097 1134603007 /nfs/dbraw/zinc/60/30/07/1134603007.db2.gz AQKJWDBPYOXRBI-UHFFFAOYSA-N 1 2 333.800 3.731 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775274093 1134607565 /nfs/dbraw/zinc/60/75/65/1134607565.db2.gz ZJFPWMUDILMTTM-AWEZNQCLSA-N 1 2 341.455 3.950 20 0 EHADLO O=C(Nc1ccccc1-c1ccccc1)NC1CN(c2cccc[nH+]2)C1 ZINC001189731878 1134623286 /nfs/dbraw/zinc/62/32/86/1134623286.db2.gz RIHVEDRWUCQIJC-UHFFFAOYSA-N 1 2 344.418 3.759 20 0 EHADLO CCc1cn(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)c[nH+]1 ZINC001190102740 1134655696 /nfs/dbraw/zinc/65/56/96/1134655696.db2.gz CHXBTGUTZUGAOW-UHFFFAOYSA-N 1 2 339.414 3.934 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Oc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000792158627 1134659165 /nfs/dbraw/zinc/65/91/65/1134659165.db2.gz IWZCBDRTEAFUAQ-QUCCMNQESA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Oc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000792158627 1134659167 /nfs/dbraw/zinc/65/91/67/1134659167.db2.gz IWZCBDRTEAFUAQ-QUCCMNQESA-N 1 2 339.435 3.789 20 0 EHADLO Clc1sccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000792179721 1134663645 /nfs/dbraw/zinc/66/36/45/1134663645.db2.gz LMZOHWPYNPQFBR-UHFFFAOYSA-N 1 2 344.267 3.888 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000792483088 1134690850 /nfs/dbraw/zinc/69/08/50/1134690850.db2.gz VDUSCQUJOYDWMW-LBPRGKRZSA-N 1 2 345.447 3.505 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000792481368 1134690985 /nfs/dbraw/zinc/69/09/85/1134690985.db2.gz IVLJCPASLBHOTA-CJNGLKHVSA-N 1 2 346.479 3.595 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170255276 1134733081 /nfs/dbraw/zinc/73/30/81/1134733081.db2.gz OAOJEBZJAVSARN-IUODEOHRSA-N 1 2 329.893 3.545 20 0 EHADLO CC(C)COc1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001170354602 1134753975 /nfs/dbraw/zinc/75/39/75/1134753975.db2.gz ZOJAHGLXFDISSY-UHFFFAOYSA-N 1 2 347.503 3.813 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1F ZINC001170357646 1134755165 /nfs/dbraw/zinc/75/51/65/1134755165.db2.gz CVWZPGWBAUQITO-UHFFFAOYSA-N 1 2 340.414 3.761 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1F ZINC001170357646 1134755173 /nfs/dbraw/zinc/75/51/73/1134755173.db2.gz CVWZPGWBAUQITO-UHFFFAOYSA-N 1 2 340.414 3.761 20 0 EHADLO CC(C)(C)C(=O)N1CCC(CNc2ccc(-n3cccc3)c[nH+]2)CC1 ZINC001170348862 1134760123 /nfs/dbraw/zinc/76/01/23/1134760123.db2.gz CNJZQHQRZKGDNX-UHFFFAOYSA-N 1 2 340.471 3.569 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000792712749 1134777543 /nfs/dbraw/zinc/77/75/43/1134777543.db2.gz QYMHGOBYRROOIJ-KRWDZBQOSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000792712749 1134777549 /nfs/dbraw/zinc/77/75/49/1134777549.db2.gz QYMHGOBYRROOIJ-KRWDZBQOSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1C ZINC000792909836 1134823139 /nfs/dbraw/zinc/82/31/39/1134823139.db2.gz YLXWYKKDIZWJHQ-GOEBONIOSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1C ZINC000792909836 1134823146 /nfs/dbraw/zinc/82/31/46/1134823146.db2.gz YLXWYKKDIZWJHQ-GOEBONIOSA-N 1 2 341.282 3.758 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000793053370 1134842300 /nfs/dbraw/zinc/84/23/00/1134842300.db2.gz HAYSYHQVOGDARA-FQEVSTJZSA-N 1 2 325.456 3.791 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)c1 ZINC001191558609 1134888427 /nfs/dbraw/zinc/88/84/27/1134888427.db2.gz GATXCZZRAQVQTK-AQNXPRMDSA-N 1 2 327.399 3.764 20 0 EHADLO COc1cccc([C@@H]2C[N@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)c1 ZINC001191558609 1134888431 /nfs/dbraw/zinc/88/84/31/1134888431.db2.gz GATXCZZRAQVQTK-AQNXPRMDSA-N 1 2 327.399 3.764 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000793248765 1134888699 /nfs/dbraw/zinc/88/86/99/1134888699.db2.gz DLZSPSBHMUJNHO-UHFFFAOYSA-N 1 2 337.423 3.570 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000793252896 1134889333 /nfs/dbraw/zinc/88/93/33/1134889333.db2.gz KDRLZVIUCRKEEB-UHFFFAOYSA-N 1 2 347.827 3.597 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cs1 ZINC001191664325 1134901196 /nfs/dbraw/zinc/90/11/96/1134901196.db2.gz RHVAICLQNJZQIT-QZTJIDSGSA-N 1 2 345.487 3.518 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccncc1-c1ccccc1 ZINC001191910402 1134937974 /nfs/dbraw/zinc/93/79/74/1134937974.db2.gz XILIXHLCWCRIIM-UHFFFAOYSA-N 1 2 332.407 3.600 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3ccc(OC(F)F)cc3)n2c1 ZINC001192190557 1134976908 /nfs/dbraw/zinc/97/69/08/1134976908.db2.gz ZJTCKKJSHYKXAA-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO CC(C)c1ccccc1NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001192243223 1134984383 /nfs/dbraw/zinc/98/43/83/1134984383.db2.gz YMSRXNWESQMPEN-UHFFFAOYSA-N 1 2 337.414 3.757 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc2c1OCCO2 ZINC001192215021 1134986226 /nfs/dbraw/zinc/98/62/26/1134986226.db2.gz RURCOKNVOIENEQ-LBPRGKRZSA-N 1 2 331.362 3.855 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc2c1OCCO2 ZINC001192215021 1134986229 /nfs/dbraw/zinc/98/62/29/1134986229.db2.gz RURCOKNVOIENEQ-LBPRGKRZSA-N 1 2 331.362 3.855 20 0 EHADLO Clc1c(Br)cncc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001250470742 1135010448 /nfs/dbraw/zinc/01/04/48/1135010448.db2.gz OCABWROKOIKLBW-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1c(Br)cncc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001250470742 1135010451 /nfs/dbraw/zinc/01/04/51/1135010451.db2.gz OCABWROKOIKLBW-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c(c1)CCN2C ZINC000794213527 1135033177 /nfs/dbraw/zinc/03/31/77/1135033177.db2.gz NJAMAKFAIKHUBZ-UHFFFAOYSA-N 1 2 332.407 3.630 20 0 EHADLO ClC(Cl)=CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001192585318 1135034382 /nfs/dbraw/zinc/03/43/82/1135034382.db2.gz SETGDMMKCTXLOY-UHFFFAOYSA-N 1 2 326.223 3.866 20 0 EHADLO ClC(Cl)=CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001192585318 1135034387 /nfs/dbraw/zinc/03/43/87/1135034387.db2.gz SETGDMMKCTXLOY-UHFFFAOYSA-N 1 2 326.223 3.866 20 0 EHADLO Brc1cccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)n1 ZINC000794354517 1135043535 /nfs/dbraw/zinc/04/35/35/1135043535.db2.gz MNUVUIUWZYKEEP-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)n1 ZINC000794354517 1135043539 /nfs/dbraw/zinc/04/35/39/1135043539.db2.gz MNUVUIUWZYKEEP-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977440 1135086545 /nfs/dbraw/zinc/08/65/45/1135086545.db2.gz XPQDBSLKMIIULB-IAQYHMDHSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977440 1135086550 /nfs/dbraw/zinc/08/65/50/1135086550.db2.gz XPQDBSLKMIIULB-IAQYHMDHSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H](C)C(C)(C)C ZINC001129588348 1135116379 /nfs/dbraw/zinc/11/63/79/1135116379.db2.gz UPDBIMJZQOIDLR-HOTGVXAUSA-N 1 2 327.472 3.866 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccn3cc[nH+]c3c2)cc1Br ZINC001129594872 1135117960 /nfs/dbraw/zinc/11/79/60/1135117960.db2.gz YLCZOSGVVPBXBK-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO CCc1nc(N(Cc2ccccc2)C[C@H](O)c2ccco2)cc(C)[nH+]1 ZINC000804564097 1135121855 /nfs/dbraw/zinc/12/18/55/1135121855.db2.gz LKHLIWLTRFEKGU-KRWDZBQOSA-N 1 2 337.423 3.681 20 0 EHADLO CC(C)c1csc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001193512423 1135149218 /nfs/dbraw/zinc/14/92/18/1135149218.db2.gz YKRGSJBXSLJMBQ-UHFFFAOYSA-N 1 2 340.452 3.724 20 0 EHADLO Cc1ccc(SCC[N@H+]2CCN(CC(C)C)C(=O)[C@@H]2C)cc1C ZINC001193687109 1135171748 /nfs/dbraw/zinc/17/17/48/1135171748.db2.gz PSFKPNUFFXLWIL-KRWDZBQOSA-N 1 2 334.529 3.584 20 0 EHADLO Cc1ccc(SCC[N@@H+]2CCN(CC(C)C)C(=O)[C@@H]2C)cc1C ZINC001193687109 1135171755 /nfs/dbraw/zinc/17/17/55/1135171755.db2.gz PSFKPNUFFXLWIL-KRWDZBQOSA-N 1 2 334.529 3.584 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684536 1135171865 /nfs/dbraw/zinc/17/18/65/1135171865.db2.gz BKFUEGNWNOCDGL-IAQYHMDHSA-N 1 2 346.254 3.646 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684536 1135171869 /nfs/dbraw/zinc/17/18/69/1135171869.db2.gz BKFUEGNWNOCDGL-IAQYHMDHSA-N 1 2 346.254 3.646 20 0 EHADLO Cc1cc(CNC(=O)c2cc(Cl)cc3cccnc32)cc(C)[nH+]1 ZINC001129858528 1135173251 /nfs/dbraw/zinc/17/32/51/1135173251.db2.gz MPAWCONBUCLTTK-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@](F)(c3ccccc3C)C2)cs1 ZINC001193798689 1135186496 /nfs/dbraw/zinc/18/64/96/1135186496.db2.gz VSCFSEVKMIASJD-GOSISDBHSA-N 1 2 333.428 3.914 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@](F)(c3ccccc3C)C2)cs1 ZINC001193798689 1135186498 /nfs/dbraw/zinc/18/64/98/1135186498.db2.gz VSCFSEVKMIASJD-GOSISDBHSA-N 1 2 333.428 3.914 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC(C1CCC1)C1CCC1 ZINC000805002875 1135226399 /nfs/dbraw/zinc/22/63/99/1135226399.db2.gz DNPOXTRJGGKDHF-UHFFFAOYSA-N 1 2 338.455 3.640 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001194116599 1135228105 /nfs/dbraw/zinc/22/81/05/1135228105.db2.gz TUMJBZQTWOGHOF-CYBMUJFWSA-N 1 2 330.881 3.892 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001194116599 1135228107 /nfs/dbraw/zinc/22/81/07/1135228107.db2.gz TUMJBZQTWOGHOF-CYBMUJFWSA-N 1 2 330.881 3.892 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(OCC2CC2)c(Cl)c1 ZINC001194187936 1135240134 /nfs/dbraw/zinc/24/01/34/1135240134.db2.gz VXFRJOKPKWLJHT-UHFFFAOYSA-N 1 2 342.826 3.687 20 0 EHADLO CC(C)(C)COC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001194370997 1135259530 /nfs/dbraw/zinc/25/95/30/1135259530.db2.gz BXDSXVMKGRSQHQ-UHFFFAOYSA-N 1 2 327.428 3.540 20 0 EHADLO CSc1ncc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC001194330647 1135259682 /nfs/dbraw/zinc/25/96/82/1135259682.db2.gz KMQXNDDDYSPCIL-UHFFFAOYSA-N 1 2 338.436 3.609 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccnc1OCc1ccccc1 ZINC001194603622 1135291341 /nfs/dbraw/zinc/29/13/41/1135291341.db2.gz FARPBLFLCFVFJX-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1C ZINC001194648854 1135297166 /nfs/dbraw/zinc/29/71/66/1135297166.db2.gz LZPQJRJFJVJDCP-INIZCTEOSA-N 1 2 331.378 3.935 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1C ZINC001194648854 1135297173 /nfs/dbraw/zinc/29/71/73/1135297173.db2.gz LZPQJRJFJVJDCP-INIZCTEOSA-N 1 2 331.378 3.935 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCC1)c1cccc2[nH+]ccn21 ZINC001130291233 1135298769 /nfs/dbraw/zinc/29/87/69/1135298769.db2.gz ZJCYOBFPFDIKDP-UHFFFAOYSA-N 1 2 325.799 3.797 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607504 1135313404 /nfs/dbraw/zinc/31/34/04/1135313404.db2.gz JJTWEPXEPCHFOO-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607504 1135313406 /nfs/dbraw/zinc/31/34/06/1135313406.db2.gz JJTWEPXEPCHFOO-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607499 1135313415 /nfs/dbraw/zinc/31/34/15/1135313415.db2.gz JJTWEPXEPCHFOO-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607499 1135313419 /nfs/dbraw/zinc/31/34/19/1135313419.db2.gz JJTWEPXEPCHFOO-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)o1 ZINC000805826539 1135337005 /nfs/dbraw/zinc/33/70/05/1135337005.db2.gz CEAGFYBPPSIBRG-INIZCTEOSA-N 1 2 349.475 3.650 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)o1 ZINC000805826539 1135337009 /nfs/dbraw/zinc/33/70/09/1135337009.db2.gz CEAGFYBPPSIBRG-INIZCTEOSA-N 1 2 349.475 3.650 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2nccc3ccccc32)c1 ZINC001194918035 1135340497 /nfs/dbraw/zinc/34/04/97/1135340497.db2.gz SCWKEZYHFPOXNI-UHFFFAOYSA-N 1 2 342.402 3.565 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)no1 ZINC000806160752 1135404321 /nfs/dbraw/zinc/40/43/21/1135404321.db2.gz KHLWLVYIPLAPGB-AWEZNQCLSA-N 1 2 335.835 3.815 20 0 EHADLO CC[C@@H]1C[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](CC)O1 ZINC001195298639 1135408831 /nfs/dbraw/zinc/40/88/31/1135408831.db2.gz FZCKKTTXOLXFRB-XJKCOSOUSA-N 1 2 332.271 3.916 20 0 EHADLO COC(=O)C1([N@H+](CCSc2ccc(F)cc2F)C2CC2)CCC1 ZINC001195393856 1135422539 /nfs/dbraw/zinc/42/25/39/1135422539.db2.gz RIQXTJMBPWVPPM-UHFFFAOYSA-N 1 2 341.423 3.617 20 0 EHADLO COC(=O)C1([N@@H+](CCSc2ccc(F)cc2F)C2CC2)CCC1 ZINC001195393856 1135422542 /nfs/dbraw/zinc/42/25/42/1135422542.db2.gz RIQXTJMBPWVPPM-UHFFFAOYSA-N 1 2 341.423 3.617 20 0 EHADLO Cc1ccc(-c2ccc(C)cc2C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001195688242 1135451220 /nfs/dbraw/zinc/45/12/20/1135451220.db2.gz MGLKDFNVIMVSPG-UHFFFAOYSA-N 1 2 345.446 3.865 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](c3ccccc3F)C(C)C)ccn12 ZINC001130890715 1135533926 /nfs/dbraw/zinc/53/39/26/1135533926.db2.gz GWTKHAKJCIVIFC-GOSISDBHSA-N 1 2 325.387 3.909 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc3sccc3c2)C1 ZINC001196470241 1135565068 /nfs/dbraw/zinc/56/50/68/1135565068.db2.gz WKBSIHZBSWANAC-CYBMUJFWSA-N 1 2 326.425 3.656 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564536 1135576448 /nfs/dbraw/zinc/57/64/48/1135576448.db2.gz XJJQROOLYSTESE-ZWNOBZJWSA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564536 1135576452 /nfs/dbraw/zinc/57/64/52/1135576452.db2.gz XJJQROOLYSTESE-ZWNOBZJWSA-N 1 2 333.325 3.546 20 0 EHADLO CC[C@@H](SC)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182636 1135579729 /nfs/dbraw/zinc/57/97/29/1135579729.db2.gz YOKZFKFNJUQNDE-HZPDHXFCSA-N 1 2 347.484 3.766 20 0 EHADLO CC[C@@H](SC)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182636 1135579733 /nfs/dbraw/zinc/57/97/33/1135579733.db2.gz YOKZFKFNJUQNDE-HZPDHXFCSA-N 1 2 347.484 3.766 20 0 EHADLO CCCCCC[C@@](CC)([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)C(=O)OCC ZINC001170538566 1135594852 /nfs/dbraw/zinc/59/48/52/1135594852.db2.gz JNNDIKSNJKQETG-GPMSIDNRSA-N 1 2 341.492 3.600 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000102607600 1135602827 /nfs/dbraw/zinc/60/28/27/1135602827.db2.gz VXVLIQYHHFFTKE-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000775739965 1135605697 /nfs/dbraw/zinc/60/56/97/1135605697.db2.gz JAUCAHLFZFSMEW-UHFFFAOYSA-N 1 2 338.879 3.630 20 0 EHADLO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000775739965 1135605699 /nfs/dbraw/zinc/60/56/99/1135605699.db2.gz JAUCAHLFZFSMEW-UHFFFAOYSA-N 1 2 338.879 3.630 20 0 EHADLO Cc1cn2c(cccc2NC(=S)NCc2ccccc2Cl)[nH+]1 ZINC001196793896 1135610320 /nfs/dbraw/zinc/61/03/20/1135610320.db2.gz HNHNSWYONKGNCL-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO COc1cc(C)c(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)c(C)c1 ZINC001196849376 1135618848 /nfs/dbraw/zinc/61/88/48/1135618848.db2.gz XLJNNFVIVQAONI-UHFFFAOYSA-N 1 2 348.468 3.805 20 0 EHADLO COc1cccc(CC2CC[NH+](CC(=O)c3ccccc3F)CC2)c1 ZINC001196935071 1135626844 /nfs/dbraw/zinc/62/68/44/1135626844.db2.gz FYXKAEKALYKQEO-UHFFFAOYSA-N 1 2 341.426 3.972 20 0 EHADLO COC(=O)[C@@H](c1ccc(Br)s1)[N@H+](C)CC1CCCC1 ZINC001197086729 1135644016 /nfs/dbraw/zinc/64/40/16/1135644016.db2.gz KUSSBGXJDYJWSV-CYBMUJFWSA-N 1 2 346.290 3.847 20 0 EHADLO FC[C@H]([NH2+]Cc1ccnc(Br)c1)c1ccc(F)cc1 ZINC001197136176 1135648927 /nfs/dbraw/zinc/64/89/27/1135648927.db2.gz WPMSFJOMLGAHMD-ZDUSSCGKSA-N 1 2 327.172 3.784 20 0 EHADLO Cn1cnc(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000808375958 1135656297 /nfs/dbraw/zinc/65/62/97/1135656297.db2.gz MUYYPBKZKOTDGE-GOSISDBHSA-N 1 2 343.377 3.901 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccnc2)CCCC1 ZINC000808566898 1135695093 /nfs/dbraw/zinc/69/50/93/1135695093.db2.gz VMRFBZUKTXLGTF-UHFFFAOYSA-N 1 2 347.418 3.823 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001197652491 1135716473 /nfs/dbraw/zinc/71/64/73/1135716473.db2.gz QMTDPFGGZWVSNT-LBPRGKRZSA-N 1 2 336.823 3.534 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001197815236 1135742781 /nfs/dbraw/zinc/74/27/81/1135742781.db2.gz LKJCNCYTQLZAMV-AWEZNQCLSA-N 1 2 344.352 3.570 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000794431028 1135746219 /nfs/dbraw/zinc/74/62/19/1135746219.db2.gz BSQJERDJIFJVPB-CYBMUJFWSA-N 1 2 341.883 3.775 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000794431028 1135746221 /nfs/dbraw/zinc/74/62/21/1135746221.db2.gz BSQJERDJIFJVPB-CYBMUJFWSA-N 1 2 341.883 3.775 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1C(F)(F)F ZINC001131517171 1135761011 /nfs/dbraw/zinc/76/10/11/1135761011.db2.gz XZRDSSFWEARJQK-OAHLLOKOSA-N 1 2 349.312 3.679 20 0 EHADLO Cc1cccc(C)c1NC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001198386039 1135808162 /nfs/dbraw/zinc/80/81/62/1135808162.db2.gz GAIPZXGCPWIWKC-UHFFFAOYSA-N 1 2 328.485 3.787 20 0 EHADLO CN(CCO)c1ccc([NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1 ZINC000809599908 1135860347 /nfs/dbraw/zinc/86/03/47/1135860347.db2.gz NOWVKUWOSDGPSH-UHFFFAOYSA-N 1 2 332.394 3.751 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccn2c1Br)c1ccccc1 ZINC000809601899 1135860733 /nfs/dbraw/zinc/86/07/33/1135860733.db2.gz NIMMGOSZIADONK-LBPRGKRZSA-N 1 2 330.229 3.948 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cnccc1OC1CCC1 ZINC001198878500 1135865359 /nfs/dbraw/zinc/86/53/59/1135865359.db2.gz JAKGTCLPLIWYHM-UHFFFAOYSA-N 1 2 348.406 3.510 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000809655715 1135866523 /nfs/dbraw/zinc/86/65/23/1135866523.db2.gz JORPWQNZLMMAQW-NHYWBVRUSA-N 1 2 340.876 3.669 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000809655715 1135866525 /nfs/dbraw/zinc/86/65/25/1135866525.db2.gz JORPWQNZLMMAQW-NHYWBVRUSA-N 1 2 340.876 3.669 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809720806 1135878470 /nfs/dbraw/zinc/87/84/70/1135878470.db2.gz NITXZAQVWWPTKE-CQSZACIVSA-N 1 2 339.505 3.756 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809720806 1135878472 /nfs/dbraw/zinc/87/84/72/1135878472.db2.gz NITXZAQVWWPTKE-CQSZACIVSA-N 1 2 339.505 3.756 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(F)CCCCC1 ZINC000810008227 1135913162 /nfs/dbraw/zinc/91/31/62/1135913162.db2.gz CWSOPJCUYVWWAC-UHFFFAOYSA-N 1 2 325.453 3.740 20 0 EHADLO Cc1c(Cl)nccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000810294701 1135954066 /nfs/dbraw/zinc/95/40/66/1135954066.db2.gz KPEJUYMJUWLPFG-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO C[C@H](COCc1ccccc1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776101177 1135955869 /nfs/dbraw/zinc/95/58/69/1135955869.db2.gz AVURDFPXHWXSRA-MRXNPFEDSA-N 1 2 336.391 3.634 20 0 EHADLO CO[C@H](C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613756 1135996609 /nfs/dbraw/zinc/99/66/09/1135996609.db2.gz CZVOAWCYKODJAP-GDBMZVCRSA-N 1 2 349.368 3.945 20 0 EHADLO CO[C@H](C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613756 1135996610 /nfs/dbraw/zinc/99/66/10/1135996610.db2.gz CZVOAWCYKODJAP-GDBMZVCRSA-N 1 2 349.368 3.945 20 0 EHADLO CCOC(=O)c1oc2nccnc2c1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201488456 1136027394 /nfs/dbraw/zinc/02/73/94/1136027394.db2.gz QYEUJHHRALQDJG-UHFFFAOYSA-N 1 2 340.383 3.963 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001132729786 1136070325 /nfs/dbraw/zinc/07/03/25/1136070325.db2.gz WASZMYFFYWKXCN-UHFFFAOYSA-N 1 2 339.342 3.584 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(F)c1)Nc1ccccc1F ZINC001202010267 1136081054 /nfs/dbraw/zinc/08/10/54/1136081054.db2.gz SFUZBSWKIZZOBD-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO Cc1cccc(O[C@H](C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815849 1136087858 /nfs/dbraw/zinc/08/78/58/1136087858.db2.gz VIYGVOIWVPPUBN-XLIONFOSSA-N 1 2 349.434 3.517 20 0 EHADLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000811456800 1136089409 /nfs/dbraw/zinc/08/94/09/1136089409.db2.gz FWTCQISAUOAYBB-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000811456800 1136089412 /nfs/dbraw/zinc/08/94/12/1136089412.db2.gz FWTCQISAUOAYBB-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC001202228903 1136108069 /nfs/dbraw/zinc/10/80/69/1136108069.db2.gz ICYHTBPTSYLEIM-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO CCOc1ccccc1NC(=O)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001202152777 1136108225 /nfs/dbraw/zinc/10/82/25/1136108225.db2.gz GECXTZOCBFHDBJ-AWEZNQCLSA-N 1 2 338.411 3.924 20 0 EHADLO CC1(C)C(=O)N(C[NH+]2CCC(=Cc3ccccc3F)CC2)[C@@H]1C1CC1 ZINC000811755760 1136136585 /nfs/dbraw/zinc/13/65/85/1136136585.db2.gz RLANMSGRHLUPAZ-LJQANCHMSA-N 1 2 342.458 3.909 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@@H]2C2CC2)c1 ZINC000811760018 1136136725 /nfs/dbraw/zinc/13/67/25/1136136725.db2.gz JOBSXFIIYMYRNZ-SFHVURJKSA-N 1 2 330.472 3.510 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@@H]2C2CC2)c1 ZINC000811760018 1136136727 /nfs/dbraw/zinc/13/67/27/1136136727.db2.gz JOBSXFIIYMYRNZ-SFHVURJKSA-N 1 2 330.472 3.510 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cscc1Cl ZINC001133032992 1136146488 /nfs/dbraw/zinc/14/64/88/1136146488.db2.gz NUKYWKZXLDTTOE-HNNXBMFYSA-N 1 2 331.828 3.769 20 0 EHADLO COCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCCC1 ZINC000811864624 1136148444 /nfs/dbraw/zinc/14/84/44/1136148444.db2.gz GCPLZQBNCOIHIP-UHFFFAOYSA-N 1 2 331.464 3.590 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)ccc1F ZINC000265920112 1136151778 /nfs/dbraw/zinc/15/17/78/1136151778.db2.gz GUBJZEVYEYVMRY-BLLLJJGKSA-N 1 2 348.397 3.728 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CCCCC1 ZINC001170665733 1136180703 /nfs/dbraw/zinc/18/07/03/1136180703.db2.gz CFIZFQIKVJDGSH-OAHLLOKOSA-N 1 2 337.410 3.678 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)OCc1ccccc1 ZINC001170664261 1136181609 /nfs/dbraw/zinc/18/16/09/1136181609.db2.gz IESFCWDHPIGTQV-SUMWQHHRSA-N 1 2 345.389 3.544 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CSc1cc(Cl)ccc1Cl ZINC000747784937 1136198870 /nfs/dbraw/zinc/19/88/70/1136198870.db2.gz WMHQJYLUHDUGAV-UHFFFAOYSA-N 1 2 331.224 3.562 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812424510 1136206155 /nfs/dbraw/zinc/20/61/55/1136206155.db2.gz HCPRIUCCHKORPU-UHFFFAOYSA-N 1 2 341.798 3.730 20 0 EHADLO Cc1[nH]c(CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[nH+]c1C ZINC000850275234 1136229710 /nfs/dbraw/zinc/22/97/10/1136229710.db2.gz ITTRQRPRTRNJAG-GFCCVEGCSA-N 1 2 326.227 3.947 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)[nH]c1C ZINC000850275234 1136229713 /nfs/dbraw/zinc/22/97/13/1136229713.db2.gz ITTRQRPRTRNJAG-GFCCVEGCSA-N 1 2 326.227 3.947 20 0 EHADLO Cc1[nH+]cc(CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)n1C ZINC000850275699 1136229919 /nfs/dbraw/zinc/22/99/19/1136229919.db2.gz PTEDHIPDCAEFBO-ZDUSSCGKSA-N 1 2 326.227 3.649 20 0 EHADLO Cc1cc(C)c(C(=O)NCC(F)(F)c2ccc(F)cc2F)c(C)[nH+]1 ZINC001133429463 1136244364 /nfs/dbraw/zinc/24/43/64/1136244364.db2.gz WUHDJVXOKZIYGY-UHFFFAOYSA-N 1 2 340.320 3.807 20 0 EHADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)cc(C(=O)OC(C)(C)C)c1 ZINC001133456076 1136253452 /nfs/dbraw/zinc/25/34/52/1136253452.db2.gz PPIKSLMPBUBJCY-UHFFFAOYSA-N 1 2 340.423 3.636 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000850504013 1136273421 /nfs/dbraw/zinc/27/34/21/1136273421.db2.gz RVMMOKUYWOTFKZ-MGPQQGTHSA-N 1 2 333.444 3.887 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1oc2ccccc2c1Br ZINC001133686234 1136313166 /nfs/dbraw/zinc/31/31/66/1136313166.db2.gz YPQRWADWHORPNA-UHFFFAOYSA-N 1 2 345.196 3.881 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1coc2ccccc12 ZINC000851399492 1136376783 /nfs/dbraw/zinc/37/67/83/1136376783.db2.gz VFURBFJBZPLWES-UHFFFAOYSA-N 1 2 336.391 3.901 20 0 EHADLO C[C@@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000851399216 1136376839 /nfs/dbraw/zinc/37/68/39/1136376839.db2.gz PIHHBBTXSXOKEW-OAHLLOKOSA-N 1 2 342.414 3.784 20 0 EHADLO CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cc(OC)cc(OC)c1 ZINC000851474223 1136383091 /nfs/dbraw/zinc/38/30/91/1136383091.db2.gz VUJIBUXDFKFXOQ-GUYCJALGSA-N 1 2 332.400 3.546 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839616 1136412607 /nfs/dbraw/zinc/41/26/07/1136412607.db2.gz ZLXHPRQTEFQRSV-VXGBXAGGSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839616 1136412609 /nfs/dbraw/zinc/41/26/09/1136412609.db2.gz ZLXHPRQTEFQRSV-VXGBXAGGSA-N 1 2 349.272 3.856 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001137050217 1136415457 /nfs/dbraw/zinc/41/54/57/1136415457.db2.gz VTEGEUSRSHLUGW-OAHLLOKOSA-N 1 2 338.430 3.581 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137050217 1136415460 /nfs/dbraw/zinc/41/54/60/1136415460.db2.gz VTEGEUSRSHLUGW-OAHLLOKOSA-N 1 2 338.430 3.581 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C)c1nnc(C)o1 ZINC001170736165 1136430757 /nfs/dbraw/zinc/43/07/57/1136430757.db2.gz HNCRVAFAMOWJFZ-FAYQHZLMSA-N 1 2 327.428 3.500 20 0 EHADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000852127294 1136435182 /nfs/dbraw/zinc/43/51/82/1136435182.db2.gz QNSVSRYPDTYRHB-GFCCVEGCSA-N 1 2 343.862 3.870 20 0 EHADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000852127294 1136435185 /nfs/dbraw/zinc/43/51/85/1136435185.db2.gz QNSVSRYPDTYRHB-GFCCVEGCSA-N 1 2 343.862 3.870 20 0 EHADLO CCCc1nc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC000852308720 1136446998 /nfs/dbraw/zinc/44/69/98/1136446998.db2.gz MGJRPUSTPZLDLM-UHFFFAOYSA-N 1 2 341.521 3.831 20 0 EHADLO CCCc1nc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC000852308720 1136446999 /nfs/dbraw/zinc/44/69/99/1136446999.db2.gz MGJRPUSTPZLDLM-UHFFFAOYSA-N 1 2 341.521 3.831 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc(OC)c1 ZINC000852443770 1136456469 /nfs/dbraw/zinc/45/64/69/1136456469.db2.gz ORAIZRJOQCTIEV-CQSZACIVSA-N 1 2 341.238 3.874 20 0 EHADLO COc1ccc2c(C[N@@H+]3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000852466409 1136457990 /nfs/dbraw/zinc/45/79/90/1136457990.db2.gz CRUZDWXUFXMNRX-GOSISDBHSA-N 1 2 339.366 3.888 20 0 EHADLO COc1ccc2c(C[N@H+]3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000852466409 1136457993 /nfs/dbraw/zinc/45/79/93/1136457993.db2.gz CRUZDWXUFXMNRX-GOSISDBHSA-N 1 2 339.366 3.888 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852629471 1136472080 /nfs/dbraw/zinc/47/20/80/1136472080.db2.gz CAUNALUTEFIDMD-INIZCTEOSA-N 1 2 342.483 3.974 20 0 EHADLO O[C@@H](C[N@@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067014 1136505521 /nfs/dbraw/zinc/50/55/21/1136505521.db2.gz MXBRCCXXIXTIMC-ROUUACIJSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@@H](C[N@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067014 1136505524 /nfs/dbraw/zinc/50/55/24/1136505524.db2.gz MXBRCCXXIXTIMC-ROUUACIJSA-N 1 2 330.378 3.620 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](CCF)C2)c(=S)n1Cc1ccccc1 ZINC000853564685 1136544612 /nfs/dbraw/zinc/54/46/12/1136544612.db2.gz SLRTZBFVZKJKNG-KRWDZBQOSA-N 1 2 348.491 3.800 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](CCF)C2)c(=S)n1Cc1ccccc1 ZINC000853564685 1136544615 /nfs/dbraw/zinc/54/46/15/1136544615.db2.gz SLRTZBFVZKJKNG-KRWDZBQOSA-N 1 2 348.491 3.800 20 0 EHADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000853627468 1136550295 /nfs/dbraw/zinc/55/02/95/1136550295.db2.gz VVKIZSHNALAHKM-AWEZNQCLSA-N 1 2 349.548 3.675 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000853627468 1136550297 /nfs/dbraw/zinc/55/02/97/1136550297.db2.gz VVKIZSHNALAHKM-AWEZNQCLSA-N 1 2 349.548 3.675 20 0 EHADLO C[NH+](C)c1ccc(NCc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000815129380 1136554555 /nfs/dbraw/zinc/55/45/55/1136554555.db2.gz NFCOSAFXHJCBGN-UHFFFAOYSA-N 1 2 345.874 3.855 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1NC(=O)C1CC1 ZINC000815166672 1136565566 /nfs/dbraw/zinc/56/55/66/1136565566.db2.gz SFUDQEAIHNGCPV-UHFFFAOYSA-N 1 2 346.390 3.678 20 0 EHADLO Cc1ccc(N2CC[C@@H]([N@@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000854043350 1136583060 /nfs/dbraw/zinc/58/30/60/1136583060.db2.gz IIJLBPISAXQDRO-MOPGFXCFSA-N 1 2 335.451 3.578 20 0 EHADLO Cc1ccc(N2CC[C@@H]([N@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000854043350 1136583063 /nfs/dbraw/zinc/58/30/63/1136583063.db2.gz IIJLBPISAXQDRO-MOPGFXCFSA-N 1 2 335.451 3.578 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000815643403 1136625122 /nfs/dbraw/zinc/62/51/22/1136625122.db2.gz BOGXVIHFJJPKOO-UKRRQHHQSA-N 1 2 342.430 3.756 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(CC)CC ZINC000776792489 1136666306 /nfs/dbraw/zinc/66/63/06/1136666306.db2.gz PWCRLIGAOIOXEJ-MOPGFXCFSA-N 1 2 332.488 3.919 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccnc(OC(C)C)c1)c1ccccc1 ZINC000816121411 1136674624 /nfs/dbraw/zinc/67/46/24/1136674624.db2.gz GZYHCPIPABEETN-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccnc(OC(C)C)c1)c1ccccc1 ZINC000816121411 1136674627 /nfs/dbraw/zinc/67/46/27/1136674627.db2.gz GZYHCPIPABEETN-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000856721980 1136802787 /nfs/dbraw/zinc/80/27/87/1136802787.db2.gz HCKKWJGVPPEQSO-MRXNPFEDSA-N 1 2 341.542 3.805 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000856721980 1136802790 /nfs/dbraw/zinc/80/27/90/1136802790.db2.gz HCKKWJGVPPEQSO-MRXNPFEDSA-N 1 2 341.542 3.805 20 0 EHADLO C[C@]1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(F)F ZINC000817450467 1136812316 /nfs/dbraw/zinc/81/23/16/1136812316.db2.gz AKAUFPVCMQPKCL-QGZVFWFLSA-N 1 2 332.350 3.837 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cn(C)nc2Cl)CC2CC2)c(OC)c1 ZINC000857043968 1136836412 /nfs/dbraw/zinc/83/64/12/1136836412.db2.gz FPDNKBPUEARGFA-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO COc1ccc(C[N@H+](Cc2cn(C)nc2Cl)CC2CC2)c(OC)c1 ZINC000857043968 1136836414 /nfs/dbraw/zinc/83/64/14/1136836414.db2.gz FPDNKBPUEARGFA-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(c3cccc(F)c3)CC2)cc(C)[nH+]1 ZINC000817785793 1136839887 /nfs/dbraw/zinc/83/98/87/1136839887.db2.gz OWSWEUFGGOROKJ-UHFFFAOYSA-N 1 2 341.430 3.927 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccccc2Cl)CC1)N1CCCCCC1 ZINC000509499455 1136849996 /nfs/dbraw/zinc/84/99/96/1136849996.db2.gz KKVCZXXTIHDMMG-UHFFFAOYSA-N 1 2 332.875 3.832 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccccc2Cl)CC1)N1CCCCCC1 ZINC000509499455 1136849999 /nfs/dbraw/zinc/84/99/99/1136849999.db2.gz KKVCZXXTIHDMMG-UHFFFAOYSA-N 1 2 332.875 3.832 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)nc1 ZINC000339003967 1136863340 /nfs/dbraw/zinc/86/33/40/1136863340.db2.gz PEHVCRBXASZVRF-HXUWFJFHSA-N 1 2 338.430 3.738 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)nc1 ZINC000339003967 1136863344 /nfs/dbraw/zinc/86/33/44/1136863344.db2.gz PEHVCRBXASZVRF-HXUWFJFHSA-N 1 2 338.430 3.738 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3C[C@@]3(F)c3ccccc3)cc12 ZINC000818229869 1136868028 /nfs/dbraw/zinc/86/80/28/1136868028.db2.gz GALCAMPGBLPZIC-CRAIPNDOSA-N 1 2 344.821 3.657 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230642 1136868321 /nfs/dbraw/zinc/86/83/21/1136868321.db2.gz QVIWHSCGYWJQTB-HKUYNNGSSA-N 1 2 333.378 3.844 20 0 EHADLO CCCCCC[C@@H](O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001136135185 1136870782 /nfs/dbraw/zinc/87/07/82/1136870782.db2.gz VFIKZCACEFSVSY-GOSISDBHSA-N 1 2 329.444 3.922 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512931 1136903502 /nfs/dbraw/zinc/90/35/02/1136903502.db2.gz POEHNDAZEOIQLJ-XLIONFOSSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512931 1136903505 /nfs/dbraw/zinc/90/35/05/1136903505.db2.gz POEHNDAZEOIQLJ-XLIONFOSSA-N 1 2 345.446 3.746 20 0 EHADLO CCn1c(C)nn(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513702 1136903537 /nfs/dbraw/zinc/90/35/37/1136903537.db2.gz LJEPNMJAIWKBHE-UHFFFAOYSA-N 1 2 334.464 3.751 20 0 EHADLO CCn1c(C)nn(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513702 1136903541 /nfs/dbraw/zinc/90/35/41/1136903541.db2.gz LJEPNMJAIWKBHE-UHFFFAOYSA-N 1 2 334.464 3.751 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(C)C)on1 ZINC000339007363 1136909844 /nfs/dbraw/zinc/90/98/44/1136909844.db2.gz JYGWLZBOFIRXLW-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(C)C)on1 ZINC000339007363 1136909847 /nfs/dbraw/zinc/90/98/47/1136909847.db2.gz JYGWLZBOFIRXLW-KRWDZBQOSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCNc3[nH+]cc(C)cc32)cc1 ZINC000857995076 1136927917 /nfs/dbraw/zinc/92/79/17/1136927917.db2.gz ZEIYVLHIYYRYRF-UHFFFAOYSA-N 1 2 327.453 3.639 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)n1 ZINC000858043768 1136935081 /nfs/dbraw/zinc/93/50/81/1136935081.db2.gz XXWAVRMJDOQSSL-SFHVURJKSA-N 1 2 328.460 3.601 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)n1 ZINC000858043768 1136935083 /nfs/dbraw/zinc/93/50/83/1136935083.db2.gz XXWAVRMJDOQSSL-SFHVURJKSA-N 1 2 328.460 3.601 20 0 EHADLO Cc1csc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)n1 ZINC000173381322 1136946527 /nfs/dbraw/zinc/94/65/27/1136946527.db2.gz OQTKATGLNMLXAX-INIZCTEOSA-N 1 2 338.436 3.518 20 0 EHADLO Cc1cc(Br)cc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000777012369 1136953976 /nfs/dbraw/zinc/95/39/76/1136953976.db2.gz RKRJTLTXAONPFU-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO C[N@H+](CC(=O)c1ccccc1)Cc1ccc(F)c(Br)c1 ZINC001137558437 1136960149 /nfs/dbraw/zinc/96/01/49/1136960149.db2.gz YHUIBNODRKABIY-UHFFFAOYSA-N 1 2 336.204 3.903 20 0 EHADLO C[N@@H+](CC(=O)c1ccccc1)Cc1ccc(F)c(Br)c1 ZINC001137558437 1136960151 /nfs/dbraw/zinc/96/01/51/1136960151.db2.gz YHUIBNODRKABIY-UHFFFAOYSA-N 1 2 336.204 3.903 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(-c2ccccc2)n(C)n1 ZINC000858378666 1136962930 /nfs/dbraw/zinc/96/29/30/1136962930.db2.gz OEJJMUCKXYMUCB-HNNXBMFYSA-N 1 2 349.434 3.709 20 0 EHADLO S=c1ncccn1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000819895272 1136965420 /nfs/dbraw/zinc/96/54/20/1136965420.db2.gz KQXVMRGJUAHJEP-UHFFFAOYSA-N 1 2 346.525 3.785 20 0 EHADLO c1nnc([C@@H]([NH2+]CCCCCCc2ccccc2)c2cccnc2)[nH]1 ZINC000858461732 1136969873 /nfs/dbraw/zinc/96/98/73/1136969873.db2.gz PEBFSOMHKKTCAX-IBGZPJMESA-N 1 2 335.455 3.682 20 0 EHADLO CC[N@@H+]1CC[C@@H](Nc2nccnc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858467290 1136970187 /nfs/dbraw/zinc/97/01/87/1136970187.db2.gz SFUWQBNFSVGTJT-KGLIPLIRSA-N 1 2 338.789 3.656 20 0 EHADLO CC[N@H+]1CC[C@@H](Nc2nccnc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858467290 1136970190 /nfs/dbraw/zinc/97/01/90/1136970190.db2.gz SFUWQBNFSVGTJT-KGLIPLIRSA-N 1 2 338.789 3.656 20 0 EHADLO COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1Cl ZINC000820094528 1136976217 /nfs/dbraw/zinc/97/62/17/1136976217.db2.gz LUUNOXQIDIXFSI-HNNXBMFYSA-N 1 2 349.818 3.549 20 0 EHADLO CSC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000820629861 1136999001 /nfs/dbraw/zinc/99/90/01/1136999001.db2.gz IDQTXAKLOGFZPA-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO CSC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000820629861 1136999002 /nfs/dbraw/zinc/99/90/02/1136999002.db2.gz IDQTXAKLOGFZPA-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCc2c1cccc2Cl)n1cc[nH+]c1 ZINC001136387115 1137006996 /nfs/dbraw/zinc/00/69/96/1137006996.db2.gz XLRZXAUBWXROTR-SJORKVTESA-N 1 2 331.847 3.927 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000859240824 1137009245 /nfs/dbraw/zinc/00/92/45/1137009245.db2.gz LSJMHSHUAKWPQO-INIZCTEOSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000859240824 1137009247 /nfs/dbraw/zinc/00/92/47/1137009247.db2.gz LSJMHSHUAKWPQO-INIZCTEOSA-N 1 2 343.450 3.766 20 0 EHADLO CC1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC(F)(F)C1 ZINC000821339715 1137023984 /nfs/dbraw/zinc/02/39/84/1137023984.db2.gz GQURYIUPXWNUMU-UHFFFAOYSA-N 1 2 343.377 3.976 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2ccccc2cc1F ZINC001136504564 1137039504 /nfs/dbraw/zinc/03/95/04/1137039504.db2.gz GILYDQRFMLGSDD-UHFFFAOYSA-N 1 2 334.394 3.725 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCCCC2(F)F)n1 ZINC000822701865 1137070994 /nfs/dbraw/zinc/07/09/94/1137070994.db2.gz IDQGHEONVLHXKG-LBPRGKRZSA-N 1 2 331.432 3.749 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C(=C/c2ccccc2)OC)n1 ZINC000822701926 1137071001 /nfs/dbraw/zinc/07/10/01/1137071001.db2.gz KCNZMPXAIMJEFN-WJDWOHSUSA-N 1 2 345.468 3.611 20 0 EHADLO COc1ccc(F)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136624628 1137072984 /nfs/dbraw/zinc/07/29/84/1137072984.db2.gz CBZPPWDTSNFELO-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)OCCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001136624967 1137073185 /nfs/dbraw/zinc/07/31/85/1137073185.db2.gz RVQPKPTUPMEDIG-KRWDZBQOSA-N 1 2 349.434 3.767 20 0 EHADLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001137662305 1137091919 /nfs/dbraw/zinc/09/19/19/1137091919.db2.gz PMAQGAKSMXRLOC-UHFFFAOYSA-N 1 2 340.870 3.996 20 0 EHADLO CO[C@@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C1CCCC1 ZINC000823353160 1137096097 /nfs/dbraw/zinc/09/60/97/1137096097.db2.gz MBWAMMCBXAYJBU-QGZVFWFLSA-N 1 2 327.428 3.837 20 0 EHADLO CC(C)[C@H]1CC[C@H](c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)CC1 ZINC000823393327 1137097728 /nfs/dbraw/zinc/09/77/28/1137097728.db2.gz IOOKMWOVPPJANR-IHRRRGAJSA-N 1 2 337.464 3.731 20 0 EHADLO CC[C@@H](C)c1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823394440 1137098178 /nfs/dbraw/zinc/09/81/78/1137098178.db2.gz ZTIVLWMDCYTSIP-DOMZBBRYSA-N 1 2 345.443 3.982 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000861350375 1137102360 /nfs/dbraw/zinc/10/23/60/1137102360.db2.gz ODANXLHTFDMUQG-SCXUMTSISA-N 1 2 347.509 3.623 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000861349664 1137102497 /nfs/dbraw/zinc/10/24/97/1137102497.db2.gz UZYGRMUWSDTAJZ-QRVBRYPASA-N 1 2 337.467 3.710 20 0 EHADLO Cn1nc(C2CC2)cc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000823771217 1137113408 /nfs/dbraw/zinc/11/34/08/1137113408.db2.gz WRBYTYNOYJGWGL-FQEVSTJZSA-N 1 2 336.414 3.711 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000861610333 1137114216 /nfs/dbraw/zinc/11/42/16/1137114216.db2.gz KAEIFUNQOWYGGO-IUODEOHRSA-N 1 2 347.850 3.609 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000861627861 1137115485 /nfs/dbraw/zinc/11/54/85/1137115485.db2.gz YBEADXSDEHVYJP-UHFFFAOYSA-N 1 2 342.443 3.918 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)[C@H]1C ZINC000118415254 1137116081 /nfs/dbraw/zinc/11/60/81/1137116081.db2.gz UIQUVEAENYZSTF-WDEREUQCSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)[C@H]1C ZINC000118415254 1137116083 /nfs/dbraw/zinc/11/60/83/1137116083.db2.gz UIQUVEAENYZSTF-WDEREUQCSA-N 1 2 346.468 3.766 20 0 EHADLO Clc1cccc2[nH]c(C[N@@H+]3CCc4nc(Cl)ncc4C3)cc21 ZINC001136862515 1137134088 /nfs/dbraw/zinc/13/40/88/1137134088.db2.gz OIGRLOBGNRWDFY-UHFFFAOYSA-N 1 2 333.222 3.823 20 0 EHADLO Clc1cccc2[nH]c(C[N@H+]3CCc4nc(Cl)ncc4C3)cc21 ZINC001136862515 1137134089 /nfs/dbraw/zinc/13/40/89/1137134089.db2.gz OIGRLOBGNRWDFY-UHFFFAOYSA-N 1 2 333.222 3.823 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862239507 1137134143 /nfs/dbraw/zinc/13/41/43/1137134143.db2.gz AYCVIJJMFLKGNZ-ZDUSSCGKSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862239507 1137134144 /nfs/dbraw/zinc/13/41/44/1137134144.db2.gz AYCVIJJMFLKGNZ-ZDUSSCGKSA-N 1 2 346.418 3.744 20 0 EHADLO CCn1nc(C)c(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000824363745 1137134788 /nfs/dbraw/zinc/13/47/88/1137134788.db2.gz IPEOEUMUAMOHCJ-SFHVURJKSA-N 1 2 334.414 3.668 20 0 EHADLO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000824404582 1137135151 /nfs/dbraw/zinc/13/51/51/1137135151.db2.gz SPMBFHJSFXEUAY-YOEHRIQHSA-N 1 2 327.428 3.686 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)[nH+]c1C ZINC000862251475 1137135174 /nfs/dbraw/zinc/13/51/74/1137135174.db2.gz FGRMHPXRBMQZJR-SFHVURJKSA-N 1 2 341.480 3.824 20 0 EHADLO COC(=O)C1([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC1 ZINC001171058496 1137141393 /nfs/dbraw/zinc/14/13/93/1137141393.db2.gz BYFCVAFCRDGQMF-ZDUSSCGKSA-N 1 2 342.266 3.926 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc(C(F)(F)F)nc1Cl ZINC000862379361 1137141552 /nfs/dbraw/zinc/14/15/52/1137141552.db2.gz KVLREZBFZARGRE-QMMMGPOBSA-N 1 2 334.725 3.690 20 0 EHADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000824615530 1137145196 /nfs/dbraw/zinc/14/51/96/1137145196.db2.gz IIKSTENGSXOYIW-OAHLLOKOSA-N 1 2 347.846 3.551 20 0 EHADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000824615530 1137145198 /nfs/dbraw/zinc/14/51/98/1137145198.db2.gz IIKSTENGSXOYIW-OAHLLOKOSA-N 1 2 347.846 3.551 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000862481704 1137146193 /nfs/dbraw/zinc/14/61/93/1137146193.db2.gz JSHGLKMTCCXPMH-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1nc(F)ccc1C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000862481704 1137146195 /nfs/dbraw/zinc/14/61/95/1137146195.db2.gz JSHGLKMTCCXPMH-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC001136932644 1137149108 /nfs/dbraw/zinc/14/91/08/1137149108.db2.gz PCAHVZHFXRBGGH-YJBOKZPZSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC001136932644 1137149109 /nfs/dbraw/zinc/14/91/09/1137149109.db2.gz PCAHVZHFXRBGGH-YJBOKZPZSA-N 1 2 344.842 3.861 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CC=CCC3)CC2)cs1 ZINC000805875179 1137151213 /nfs/dbraw/zinc/15/12/13/1137151213.db2.gz TVDJULFXCHBQSJ-OAHLLOKOSA-N 1 2 334.485 3.563 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000824883998 1137157126 /nfs/dbraw/zinc/15/71/26/1137157126.db2.gz RLZHIVNJYVZTSC-ZDUSSCGKSA-N 1 2 335.220 3.800 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000824883998 1137157128 /nfs/dbraw/zinc/15/71/28/1137157128.db2.gz RLZHIVNJYVZTSC-ZDUSSCGKSA-N 1 2 335.220 3.800 20 0 EHADLO COc1c(C)c[nH+]c(CSCC(=O)OCc2ccccc2)c1C ZINC000794450340 1137162906 /nfs/dbraw/zinc/16/29/06/1137162906.db2.gz QBNVWIXVUPUEHL-UHFFFAOYSA-N 1 2 331.437 3.684 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000339049812 1137167362 /nfs/dbraw/zinc/16/73/62/1137167362.db2.gz UUOANFQUYQEFKM-INIZCTEOSA-N 1 2 325.456 3.562 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000339049812 1137167364 /nfs/dbraw/zinc/16/73/64/1137167364.db2.gz UUOANFQUYQEFKM-INIZCTEOSA-N 1 2 325.456 3.562 20 0 EHADLO COc1ccc2c(c1)CN(C[N@@H+]1CCC[C@@H]1c1ccsc1)C2=O ZINC000863257087 1137178282 /nfs/dbraw/zinc/17/82/82/1137178282.db2.gz LOQBLHZGLBIKDK-QGZVFWFLSA-N 1 2 328.437 3.507 20 0 EHADLO COc1ccc2c(c1)CN(C[N@H+]1CCC[C@@H]1c1ccsc1)C2=O ZINC000863257087 1137178284 /nfs/dbraw/zinc/17/82/84/1137178284.db2.gz LOQBLHZGLBIKDK-QGZVFWFLSA-N 1 2 328.437 3.507 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)[C@@H](C)CN1Cc1ccccc1 ZINC001137041319 1137178766 /nfs/dbraw/zinc/17/87/66/1137178766.db2.gz XZDDLNHVSKWZSC-SJORKVTESA-N 1 2 334.467 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)[C@@H](C)CN1Cc1ccccc1 ZINC001137041319 1137178767 /nfs/dbraw/zinc/17/87/67/1137178767.db2.gz XZDDLNHVSKWZSC-SJORKVTESA-N 1 2 334.467 3.658 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000863265405 1137178851 /nfs/dbraw/zinc/17/88/51/1137178851.db2.gz QBIVNJPFOHHPFU-HNNXBMFYSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000863265405 1137178852 /nfs/dbraw/zinc/17/88/52/1137178852.db2.gz QBIVNJPFOHHPFU-HNNXBMFYSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000863266613 1137178896 /nfs/dbraw/zinc/17/88/96/1137178896.db2.gz NYRGHMLAKBEACY-OAHLLOKOSA-N 1 2 342.361 3.802 20 0 EHADLO O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000825506509 1137180066 /nfs/dbraw/zinc/18/00/66/1137180066.db2.gz DFAMUKIPZOKJSK-GOEBONIOSA-N 1 2 349.356 3.747 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(Cl)c(OC(F)(F)F)c2)n(C)n1 ZINC001143357718 1137182196 /nfs/dbraw/zinc/18/21/96/1137182196.db2.gz LVUQZEFMHFFIFJ-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(Cl)c(OC(F)(F)F)c2)n(C)n1 ZINC001143357718 1137182197 /nfs/dbraw/zinc/18/21/97/1137182197.db2.gz LVUQZEFMHFFIFJ-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1Cl ZINC001143365804 1137182817 /nfs/dbraw/zinc/18/28/17/1137182817.db2.gz WLCGNUNNKMDNQL-NSHDSACASA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c1Cl ZINC001143365804 1137182819 /nfs/dbraw/zinc/18/28/19/1137182819.db2.gz WLCGNUNNKMDNQL-NSHDSACASA-N 1 2 339.798 3.559 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844132239 1137200289 /nfs/dbraw/zinc/20/02/89/1137200289.db2.gz CRCFKTGKGARFFA-ZDUSSCGKSA-N 1 2 329.469 3.975 20 0 EHADLO O=C1CC2(CN1)CC[NH+](Cc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC001143793907 1137200356 /nfs/dbraw/zinc/20/03/56/1137200356.db2.gz ODYAAVZBQUJEDW-UHFFFAOYSA-N 1 2 347.673 3.749 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@H]1F ZINC001143797140 1137200526 /nfs/dbraw/zinc/20/05/26/1137200526.db2.gz GBXOGSMNXMYVJK-CHWSQXEVSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@H]1F ZINC001143797140 1137200528 /nfs/dbraw/zinc/20/05/28/1137200528.db2.gz GBXOGSMNXMYVJK-CHWSQXEVSA-N 1 2 326.626 3.942 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OCC)c2F)C1 ZINC001143830953 1137203817 /nfs/dbraw/zinc/20/38/17/1137203817.db2.gz BHHQJQSBKKCNJU-CYBMUJFWSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OCC)c2F)C1 ZINC001143830953 1137203819 /nfs/dbraw/zinc/20/38/19/1137203819.db2.gz BHHQJQSBKKCNJU-CYBMUJFWSA-N 1 2 343.826 3.653 20 0 EHADLO O=c1ccc2c([nH]1)CC[N@@H+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866963 1137206498 /nfs/dbraw/zinc/20/64/98/1137206498.db2.gz RJLHESCOBPSAFZ-UHFFFAOYSA-N 1 2 341.213 3.834 20 0 EHADLO O=c1ccc2c([nH]1)CC[N@H+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866963 1137206499 /nfs/dbraw/zinc/20/64/99/1137206499.db2.gz RJLHESCOBPSAFZ-UHFFFAOYSA-N 1 2 341.213 3.834 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1OC(F)(F)F ZINC001143867590 1137206809 /nfs/dbraw/zinc/20/68/09/1137206809.db2.gz DVPWSNGWFAXMPN-KBPBESRZSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1OC(F)(F)F ZINC001143867590 1137206811 /nfs/dbraw/zinc/20/68/11/1137206811.db2.gz DVPWSNGWFAXMPN-KBPBESRZSA-N 1 2 339.304 3.866 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C\c2ccsc2)[nH+]1 ZINC000844264306 1137207335 /nfs/dbraw/zinc/20/73/35/1137207335.db2.gz HEFGEBFEWZRUHH-FPLPWBNLSA-N 1 2 331.437 3.657 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCc3cccc4c3OCC4)c21 ZINC000864023013 1137212253 /nfs/dbraw/zinc/21/22/53/1137212253.db2.gz INQCXQNPMHKJTH-UHFFFAOYSA-N 1 2 334.354 3.797 20 0 EHADLO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049804 1137213092 /nfs/dbraw/zinc/21/30/92/1137213092.db2.gz LMXKPIQBZUZVGO-VXGBXAGGSA-N 1 2 326.282 3.820 20 0 EHADLO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049804 1137213094 /nfs/dbraw/zinc/21/30/94/1137213094.db2.gz LMXKPIQBZUZVGO-VXGBXAGGSA-N 1 2 326.282 3.820 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143958640 1137218743 /nfs/dbraw/zinc/21/87/43/1137218743.db2.gz IVBDOYKECJXSRA-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO CCC(=O)N(CC)C1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143960870 1137219247 /nfs/dbraw/zinc/21/92/47/1137219247.db2.gz CNUXYOYVHXFQMS-UHFFFAOYSA-N 1 2 344.833 3.841 20 0 EHADLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000844422404 1137219937 /nfs/dbraw/zinc/21/99/37/1137219937.db2.gz OUFPEHOSAHDJGP-RYUDHWBXSA-N 1 2 341.333 3.610 20 0 EHADLO Fc1ccc(Cl)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1F ZINC001143953874 1137220605 /nfs/dbraw/zinc/22/06/05/1137220605.db2.gz CQWVZVXOIKSKCC-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO Fc1ccc(Cl)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1F ZINC001143953874 1137220607 /nfs/dbraw/zinc/22/06/07/1137220607.db2.gz CQWVZVXOIKSKCC-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001143982906 1137220817 /nfs/dbraw/zinc/22/08/17/1137220817.db2.gz CSAOUVHJLTYCPA-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001143982906 1137220818 /nfs/dbraw/zinc/22/08/18/1137220818.db2.gz CSAOUVHJLTYCPA-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453682 1137221476 /nfs/dbraw/zinc/22/14/76/1137221476.db2.gz GSWHIDWGJIWWPN-QNSHHTMESA-N 1 2 335.181 3.517 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453682 1137221477 /nfs/dbraw/zinc/22/14/77/1137221477.db2.gz GSWHIDWGJIWWPN-QNSHHTMESA-N 1 2 335.181 3.517 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)[C@@H](C)C3(C)CC3)c2=S)cc1 ZINC000794633255 1137221771 /nfs/dbraw/zinc/22/17/71/1137221771.db2.gz UYTIXOGHWYWXHR-ZDUSSCGKSA-N 1 2 346.500 3.798 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)[C@@H](C)C3(C)CC3)c2=S)cc1 ZINC000794633255 1137221772 /nfs/dbraw/zinc/22/17/72/1137221772.db2.gz UYTIXOGHWYWXHR-ZDUSSCGKSA-N 1 2 346.500 3.798 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)c(C)c1 ZINC000844461353 1137226072 /nfs/dbraw/zinc/22/60/72/1137226072.db2.gz CODMOMHIONHYQB-LIRRHRJNSA-N 1 2 328.412 3.846 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000844513691 1137232349 /nfs/dbraw/zinc/23/23/49/1137232349.db2.gz VRJVGYZTWPQAKB-WDEREUQCSA-N 1 2 327.306 3.552 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)CC13CCCC3)CCC2 ZINC000844699397 1137248582 /nfs/dbraw/zinc/24/85/82/1137248582.db2.gz UVWIJZIODUGGIX-CQSZACIVSA-N 1 2 333.501 3.517 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)CC13CCCC3)CCC2 ZINC000844699397 1137248584 /nfs/dbraw/zinc/24/85/84/1137248584.db2.gz UVWIJZIODUGGIX-CQSZACIVSA-N 1 2 333.501 3.517 20 0 EHADLO Cc1cc(Br)cc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC001144219617 1137253335 /nfs/dbraw/zinc/25/33/35/1137253335.db2.gz ZSKGSJJYUORMKH-UHFFFAOYSA-N 1 2 349.272 3.668 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065361 1137261160 /nfs/dbraw/zinc/26/11/60/1137261160.db2.gz KYIKVXUAJBZGSP-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000865067283 1137261309 /nfs/dbraw/zinc/26/13/09/1137261309.db2.gz SBSPKMTZEZXXED-AATRIKPKSA-N 1 2 349.356 3.779 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865141141 1137264992 /nfs/dbraw/zinc/26/49/92/1137264992.db2.gz PRFZMUVQVLPYTR-DANTVBBOSA-N 1 2 349.356 3.848 20 0 EHADLO CC(C)(CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000865158408 1137266013 /nfs/dbraw/zinc/26/60/13/1137266013.db2.gz KGQXKDFOCYZKTI-KRWDZBQOSA-N 1 2 329.419 3.554 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1cccnc1F ZINC000794834242 1137271186 /nfs/dbraw/zinc/27/11/86/1137271186.db2.gz HYRYZAOLEDBBJR-CYBMUJFWSA-N 1 2 339.183 3.899 20 0 EHADLO OC[C@@]1(F)CC[N@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001144308445 1137271251 /nfs/dbraw/zinc/27/12/51/1137271251.db2.gz NCKOPRXNGXBOOW-MRXNPFEDSA-N 1 2 338.220 3.509 20 0 EHADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001144308445 1137271252 /nfs/dbraw/zinc/27/12/52/1137271252.db2.gz NCKOPRXNGXBOOW-MRXNPFEDSA-N 1 2 338.220 3.509 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)N1 ZINC001144343552 1137276125 /nfs/dbraw/zinc/27/61/25/1137276125.db2.gz NZFLBNZCCJUZAU-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)N1 ZINC001144343552 1137276127 /nfs/dbraw/zinc/27/61/27/1137276127.db2.gz NZFLBNZCCJUZAU-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO Cc1nc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144378369 1137279389 /nfs/dbraw/zinc/27/93/89/1137279389.db2.gz IAAIXVUWPVBJCM-BXUZGUMPSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144378369 1137279391 /nfs/dbraw/zinc/27/93/91/1137279391.db2.gz IAAIXVUWPVBJCM-BXUZGUMPSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)sc1C ZINC001144369650 1137280145 /nfs/dbraw/zinc/28/01/45/1137280145.db2.gz UTDHIUBUTXGOOV-UHFFFAOYSA-N 1 2 342.464 3.760 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2c(Cl)cncc2Cl)c1 ZINC000865406031 1137280627 /nfs/dbraw/zinc/28/06/27/1137280627.db2.gz FXDJSQBSJFBYOF-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO Oc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC001144391741 1137281148 /nfs/dbraw/zinc/28/11/48/1137281148.db2.gz XWQQCPUYOGCTFK-UHFFFAOYSA-N 1 2 329.362 3.946 20 0 EHADLO Oc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC001144391741 1137281149 /nfs/dbraw/zinc/28/11/49/1137281149.db2.gz XWQQCPUYOGCTFK-UHFFFAOYSA-N 1 2 329.362 3.946 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000865430924 1137282929 /nfs/dbraw/zinc/28/29/29/1137282929.db2.gz VMIHSDCRIDZSOJ-UHFFFAOYSA-N 1 2 347.484 3.568 20 0 EHADLO CC[C@H](C)c1ccc(C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845279795 1137283389 /nfs/dbraw/zinc/28/33/89/1137283389.db2.gz OVCACXXLNUSZCR-GJZGRUSLSA-N 1 2 328.412 3.774 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)n2C)c1 ZINC000845350630 1137287490 /nfs/dbraw/zinc/28/74/90/1137287490.db2.gz CTRWNIZSYLSOSJ-UHFFFAOYSA-N 1 2 348.450 3.674 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865510975 1137290331 /nfs/dbraw/zinc/29/03/31/1137290331.db2.gz YOUNLUPUAVYZSO-UHFFFAOYSA-N 1 2 327.259 3.537 20 0 EHADLO CC(C)c1cn(C[NH+]2CCC(OC(C)(C)C)CC2)c(=S)n1C ZINC000120606098 1137293045 /nfs/dbraw/zinc/29/30/45/1137293045.db2.gz UAYMXQXEHYDQAK-UHFFFAOYSA-N 1 2 325.522 3.916 20 0 EHADLO CCCNc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nc[nH+]1 ZINC000865544478 1137293513 /nfs/dbraw/zinc/29/35/13/1137293513.db2.gz UGHGSOPADSUIFK-UHFFFAOYSA-N 1 2 342.287 3.620 20 0 EHADLO CCCNc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)[nH+]cn1 ZINC000865544478 1137293515 /nfs/dbraw/zinc/29/35/15/1137293515.db2.gz UGHGSOPADSUIFK-UHFFFAOYSA-N 1 2 342.287 3.620 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865591923 1137297387 /nfs/dbraw/zinc/29/73/87/1137297387.db2.gz NKTYTRNRSDKMRM-SNVBAGLBSA-N 1 2 331.313 3.792 20 0 EHADLO FC(F)(F)c1ncccc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001144521369 1137303121 /nfs/dbraw/zinc/30/31/21/1137303121.db2.gz XPMAKMPOINNIRY-UHFFFAOYSA-N 1 2 337.345 3.539 20 0 EHADLO COCc1cc(NCc2c[nH+]c(C)n2-c2ccccc2)ccc1OC ZINC000865751736 1137308500 /nfs/dbraw/zinc/30/85/00/1137308500.db2.gz YMSKFUGPWCQXAI-UHFFFAOYSA-N 1 2 337.423 3.948 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)n1 ZINC001144558787 1137309648 /nfs/dbraw/zinc/30/96/48/1137309648.db2.gz DNONOFWJCUSYKF-LLVKDONJSA-N 1 2 337.370 3.556 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)n1 ZINC001144558787 1137309651 /nfs/dbraw/zinc/30/96/51/1137309651.db2.gz DNONOFWJCUSYKF-LLVKDONJSA-N 1 2 337.370 3.556 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CCC[C@@H](CC(C)C)C3)n2c(C)c1C ZINC000120753796 1137312831 /nfs/dbraw/zinc/31/28/31/1137312831.db2.gz BLWQQLHBZXXDJG-INIZCTEOSA-N 1 2 347.532 3.901 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CCC[C@@H](CC(C)C)C3)n2c(C)c1C ZINC000120753796 1137312833 /nfs/dbraw/zinc/31/28/33/1137312833.db2.gz BLWQQLHBZXXDJG-INIZCTEOSA-N 1 2 347.532 3.901 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000865805274 1137313198 /nfs/dbraw/zinc/31/31/98/1137313198.db2.gz XHYZBMAPEDUHAH-BQYQJAHWSA-N 1 2 337.345 3.512 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000865809206 1137313590 /nfs/dbraw/zinc/31/35/90/1137313590.db2.gz YUEKTDXURLUXDQ-UHFFFAOYSA-N 1 2 337.267 3.805 20 0 EHADLO c1[nH+]c(CN2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c2ccccn12 ZINC001144618502 1137319001 /nfs/dbraw/zinc/31/90/01/1137319001.db2.gz UUEVNNRLXSIVQU-DENIHFKCSA-N 1 2 347.462 3.873 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3cnccc3o2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000845952003 1137319951 /nfs/dbraw/zinc/31/99/51/1137319951.db2.gz KIWQPLOIKUYBFA-ZIAGYGMSSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000845952003 1137319953 /nfs/dbraw/zinc/31/99/53/1137319953.db2.gz KIWQPLOIKUYBFA-ZIAGYGMSSA-N 1 2 345.443 3.658 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(O)cc2F)cc1 ZINC001144663777 1137324582 /nfs/dbraw/zinc/32/45/82/1137324582.db2.gz ISISKMGWOWSOHO-KRWDZBQOSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(O)cc2F)cc1 ZINC001144663777 1137324584 /nfs/dbraw/zinc/32/45/84/1137324584.db2.gz ISISKMGWOWSOHO-KRWDZBQOSA-N 1 2 347.361 3.794 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(COc3ccccc3)CC2)cc1F ZINC001144667121 1137324897 /nfs/dbraw/zinc/32/48/97/1137324897.db2.gz UBWAFUXUOXORIH-UHFFFAOYSA-N 1 2 333.378 3.961 20 0 EHADLO CC(C)(O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000866228865 1137336671 /nfs/dbraw/zinc/33/66/71/1137336671.db2.gz LNOLVGKRXHLUNI-UHFFFAOYSA-N 1 2 349.272 3.985 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc([S@](C)=O)cc1 ZINC000866310326 1137344259 /nfs/dbraw/zinc/34/42/59/1137344259.db2.gz MQIIJGRYSIDBRV-JUPKWSFQSA-N 1 2 333.428 3.546 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000866333492 1137346508 /nfs/dbraw/zinc/34/65/08/1137346508.db2.gz NNMKXYGWRZEBON-TTYHFUOFSA-N 1 2 342.483 3.671 20 0 EHADLO CCc1nnc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)s1 ZINC000866360828 1137349429 /nfs/dbraw/zinc/34/94/29/1137349429.db2.gz GQOBJVFZCHYHSV-QGZVFWFLSA-N 1 2 338.480 3.959 20 0 EHADLO CCCC[C@](CC)(Nc1cn2cc[nH+]c2cc1OC)C(=O)OCC ZINC001171231680 1137355484 /nfs/dbraw/zinc/35/54/84/1137355484.db2.gz NKCGYUDASJMBEQ-SFHVURJKSA-N 1 2 333.432 3.657 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846664671 1137361175 /nfs/dbraw/zinc/36/11/75/1137361175.db2.gz MHFIFXASVAMPRE-MAUKXSAKSA-N 1 2 345.393 3.580 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000866581376 1137366679 /nfs/dbraw/zinc/36/66/79/1137366679.db2.gz GTBWWYWLTVGXEW-YJBOKZPZSA-N 1 2 343.446 3.800 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690029 1137374056 /nfs/dbraw/zinc/37/40/56/1137374056.db2.gz SVTYBUQMVRHRIA-AWEZNQCLSA-N 1 2 335.407 3.879 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690029 1137374057 /nfs/dbraw/zinc/37/40/57/1137374057.db2.gz SVTYBUQMVRHRIA-AWEZNQCLSA-N 1 2 335.407 3.879 20 0 EHADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2ccccc2)oc1=S ZINC000121236085 1137377453 /nfs/dbraw/zinc/37/74/53/1137377453.db2.gz HWNKHNSFQCFIQX-UHFFFAOYSA-N 1 2 333.457 3.579 20 0 EHADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2ccccc2)oc1=S ZINC000121236085 1137377454 /nfs/dbraw/zinc/37/74/54/1137377454.db2.gz HWNKHNSFQCFIQX-UHFFFAOYSA-N 1 2 333.457 3.579 20 0 EHADLO CCOC(=O)/C(=C/c1cc(-n2cc[nH+]c2)cs1)c1ncccc1C ZINC000794955384 1137377966 /nfs/dbraw/zinc/37/79/66/1137377966.db2.gz XOGDSLKWGJXPJF-MHWRWJLKSA-N 1 2 339.420 3.741 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nnc(-c2cccc(C)c2)o1)OCC ZINC000846968782 1137379901 /nfs/dbraw/zinc/37/99/01/1137379901.db2.gz JHZLDYMCUJZDQI-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nnc(-c2cccc(C)c2)o1)OCC ZINC000846968782 1137379902 /nfs/dbraw/zinc/37/99/02/1137379902.db2.gz JHZLDYMCUJZDQI-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC000867844173 1137387782 /nfs/dbraw/zinc/38/77/82/1137387782.db2.gz TVDBYPPYWHYENB-HNNXBMFYSA-N 1 2 343.446 3.633 20 0 EHADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001146335571 1137388608 /nfs/dbraw/zinc/38/86/08/1137388608.db2.gz KRTDPAUZEKHAEV-GFCCVEGCSA-N 1 2 339.361 3.889 20 0 EHADLO CC[C@](C)(NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC001146926539 1137397294 /nfs/dbraw/zinc/39/72/94/1137397294.db2.gz MSPOKXIKALIKOM-QFIPXVFZSA-N 1 2 347.462 3.916 20 0 EHADLO CC[C@@H](C(=O)N1CCCCCc2ccccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC001147549169 1137408882 /nfs/dbraw/zinc/40/88/82/1137408882.db2.gz FGNKVBZTYQTINB-OALUTQOASA-N 1 2 344.499 3.635 20 0 EHADLO CC[C@@H](C(=O)N1CCCCCc2ccccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC001147549169 1137408883 /nfs/dbraw/zinc/40/88/83/1137408883.db2.gz FGNKVBZTYQTINB-OALUTQOASA-N 1 2 344.499 3.635 20 0 EHADLO CC(C)Oc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001148399978 1137424209 /nfs/dbraw/zinc/42/42/09/1137424209.db2.gz QIZKWPOTKXUXQD-UHFFFAOYSA-N 1 2 335.407 3.971 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001148580646 1137428934 /nfs/dbraw/zinc/42/89/34/1137428934.db2.gz LNFXKJGSLTXGHZ-FXAWDEMLSA-N 1 2 339.483 3.901 20 0 EHADLO COc1c(F)c(F)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001148779132 1137433305 /nfs/dbraw/zinc/43/33/05/1137433305.db2.gz GPSVLPVUHIZRIE-UHFFFAOYSA-N 1 2 347.296 3.551 20 0 EHADLO CC[N@H+](Cc1ccncc1)Cc1cc2c(cc1Br)OCO2 ZINC000348105851 1137441339 /nfs/dbraw/zinc/44/13/39/1137441339.db2.gz FRHROSAEKYUNMJ-UHFFFAOYSA-N 1 2 349.228 3.595 20 0 EHADLO CC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1Br)OCO2 ZINC000348105851 1137441340 /nfs/dbraw/zinc/44/13/40/1137441340.db2.gz FRHROSAEKYUNMJ-UHFFFAOYSA-N 1 2 349.228 3.595 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1COCc1ccccc1 ZINC000339091762 1137455526 /nfs/dbraw/zinc/45/55/26/1137455526.db2.gz SNFZTMXRKWISDM-UHFFFAOYSA-N 1 2 349.434 3.708 20 0 EHADLO Cc1ccc(NC(=O)CCCCC(=O)c2ccccc2)c(N(C)C)[nH+]1 ZINC000122764941 1137466592 /nfs/dbraw/zinc/46/65/92/1137466592.db2.gz SXGFGIJYETYXMH-UHFFFAOYSA-N 1 2 339.439 3.838 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccccc1Cl ZINC000145097907 1137474061 /nfs/dbraw/zinc/47/40/61/1137474061.db2.gz KZRGPSSTFUVJCY-AWEZNQCLSA-N 1 2 336.892 3.938 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCc2ccc(-n3cccn3)nc2)c1C ZINC001171433420 1137481465 /nfs/dbraw/zinc/48/14/65/1137481465.db2.gz MEFAOKUZROYOPT-UHFFFAOYSA-N 1 2 336.443 3.584 20 0 EHADLO Cc1cc(C)c(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000773275276 1137483877 /nfs/dbraw/zinc/48/38/77/1137483877.db2.gz JVFAABKLUJNZMZ-SFHVURJKSA-N 1 2 327.472 3.582 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)c1 ZINC001171480899 1137493651 /nfs/dbraw/zinc/49/36/51/1137493651.db2.gz ZKOZLVUWGNHNAM-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)c1 ZINC001171480899 1137493652 /nfs/dbraw/zinc/49/36/52/1137493652.db2.gz ZKOZLVUWGNHNAM-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001171554836 1137497555 /nfs/dbraw/zinc/49/75/55/1137497555.db2.gz PEBMQXZJYLNVJQ-RYUDHWBXSA-N 1 2 345.231 3.535 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001171554836 1137497556 /nfs/dbraw/zinc/49/75/56/1137497556.db2.gz PEBMQXZJYLNVJQ-RYUDHWBXSA-N 1 2 345.231 3.535 20 0 EHADLO O=C(Nc1cccc(F)c1O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001171632952 1137499997 /nfs/dbraw/zinc/49/99/97/1137499997.db2.gz YMUIZWIWURGSOI-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cccc(F)c1O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001171632952 1137499998 /nfs/dbraw/zinc/49/99/98/1137499998.db2.gz YMUIZWIWURGSOI-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(F)cc1F ZINC001171599978 1137500102 /nfs/dbraw/zinc/50/01/02/1137500102.db2.gz XPNMVDYFJSSBLY-UHFFFAOYSA-N 1 2 327.277 3.918 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(F)cc1F ZINC001171599978 1137500103 /nfs/dbraw/zinc/50/01/03/1137500103.db2.gz XPNMVDYFJSSBLY-UHFFFAOYSA-N 1 2 327.277 3.918 20 0 EHADLO O=C(C[N@@H+]1CCC12CCCC2)Nc1ccccc1C(=O)c1ccccc1 ZINC001171763402 1137509459 /nfs/dbraw/zinc/50/94/59/1137509459.db2.gz ATBCQQYVBUSJDF-UHFFFAOYSA-N 1 2 348.446 3.875 20 0 EHADLO O=C(C[N@H+]1CCC12CCCC2)Nc1ccccc1C(=O)c1ccccc1 ZINC001171763402 1137509460 /nfs/dbraw/zinc/50/94/60/1137509460.db2.gz ATBCQQYVBUSJDF-UHFFFAOYSA-N 1 2 348.446 3.875 20 0 EHADLO CC[C@@H]1C[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171820975 1137511902 /nfs/dbraw/zinc/51/19/02/1137511902.db2.gz NKFFBMAFRHRISL-RRACKEQVSA-N 1 2 346.462 3.935 20 0 EHADLO CC[C@@H]1C[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171820975 1137511903 /nfs/dbraw/zinc/51/19/03/1137511903.db2.gz NKFFBMAFRHRISL-RRACKEQVSA-N 1 2 346.462 3.935 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959362 1137519335 /nfs/dbraw/zinc/51/93/35/1137519335.db2.gz WYWPKYCAHODFSN-DOMZBBRYSA-N 1 2 331.378 3.814 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001171967436 1137519612 /nfs/dbraw/zinc/51/96/12/1137519612.db2.gz ABCCZWQJLHAEGV-BXUZGUMPSA-N 1 2 337.332 3.728 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001171967436 1137519613 /nfs/dbraw/zinc/51/96/13/1137519613.db2.gz ABCCZWQJLHAEGV-BXUZGUMPSA-N 1 2 337.332 3.728 20 0 EHADLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000018947000 1137540791 /nfs/dbraw/zinc/54/07/91/1137540791.db2.gz SAZWLSHHNOSPFN-UHFFFAOYSA-N 1 2 331.510 3.571 20 0 EHADLO Clc1ccccc1C1([NH2+][C@H]2CSc3ccccc3C2)COC1 ZINC001172196564 1137543068 /nfs/dbraw/zinc/54/30/68/1137543068.db2.gz HGNGHKQREUWELP-CQSZACIVSA-N 1 2 331.868 3.872 20 0 EHADLO FC(F)(F)c1c[nH]c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001212649860 1137545887 /nfs/dbraw/zinc/54/58/87/1137545887.db2.gz BYDINRCOGBLKAX-UHFFFAOYSA-N 1 2 345.284 3.936 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)o1 ZINC000871922970 1137563192 /nfs/dbraw/zinc/56/31/92/1137563192.db2.gz DHPKRVSCMNQZCZ-GOSISDBHSA-N 1 2 326.440 3.687 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1cccc(O)c1F)O[C@@H](C)C2 ZINC000872020094 1137565057 /nfs/dbraw/zinc/56/50/57/1137565057.db2.gz CTHIDPNFZLTKLE-NWDGAFQWSA-N 1 2 331.387 3.714 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc2S1 ZINC000872082709 1137570371 /nfs/dbraw/zinc/57/03/71/1137570371.db2.gz AAJNKWBQUYEKET-KBPBESRZSA-N 1 2 344.484 3.762 20 0 EHADLO CCS[C@@H](C)c1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872174974 1137575213 /nfs/dbraw/zinc/57/52/13/1137575213.db2.gz ILJKMZLCKITYNP-GZMMTYOYSA-N 1 2 331.363 3.951 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2cccnc2)n(C)c1=S)C(C)(C)C ZINC000872818820 1137584939 /nfs/dbraw/zinc/58/49/39/1137584939.db2.gz QGQPICBUSWMVRZ-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2cccnc2)n(C)c1=S)C(C)(C)C ZINC000872818820 1137584940 /nfs/dbraw/zinc/58/49/40/1137584940.db2.gz QGQPICBUSWMVRZ-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2ccccn2)n(C)c1=S)C(C)(C)C ZINC000872817959 1137585060 /nfs/dbraw/zinc/58/50/60/1137585060.db2.gz DQAWRWLTEDITFX-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2ccccn2)n(C)c1=S)C(C)(C)C ZINC000872817959 1137585061 /nfs/dbraw/zinc/58/50/61/1137585061.db2.gz DQAWRWLTEDITFX-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)NCCCCn2cc[nH+]c2)s1 ZINC000872846498 1137585475 /nfs/dbraw/zinc/58/54/75/1137585475.db2.gz ZBHDGNRZTJBLEG-UHFFFAOYSA-N 1 2 334.489 3.522 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000873076850 1137589548 /nfs/dbraw/zinc/58/95/48/1137589548.db2.gz CBLFDJALQPIXPE-ZDUSSCGKSA-N 1 2 331.416 3.550 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1sccc1C(F)F ZINC000873898794 1137607879 /nfs/dbraw/zinc/60/78/79/1137607879.db2.gz FLJBRDKIOAXSAF-UHFFFAOYSA-N 1 2 337.395 3.611 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2sccc2C(F)F)c1C ZINC000874255965 1137612208 /nfs/dbraw/zinc/61/22/08/1137612208.db2.gz FPRFVPWCOCQOHQ-UHFFFAOYSA-N 1 2 326.368 3.636 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001137080829 1137616622 /nfs/dbraw/zinc/61/66/22/1137616622.db2.gz VDKHUMQVXGBQSI-SFHVURJKSA-N 1 2 333.863 3.865 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001137080829 1137616623 /nfs/dbraw/zinc/61/66/23/1137616623.db2.gz VDKHUMQVXGBQSI-SFHVURJKSA-N 1 2 333.863 3.865 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000874605819 1137618969 /nfs/dbraw/zinc/61/89/69/1137618969.db2.gz RALFFCMVWVVUSW-INIZCTEOSA-N 1 2 331.847 3.790 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000874605819 1137618970 /nfs/dbraw/zinc/61/89/70/1137618970.db2.gz RALFFCMVWVVUSW-INIZCTEOSA-N 1 2 331.847 3.790 20 0 EHADLO c1ccc(C[NH+](Cc2ccc3nccnc3c2)Cc2ccccn2)nc1 ZINC001137084570 1137627596 /nfs/dbraw/zinc/62/75/96/1137627596.db2.gz USXJAXFRKQDXFI-UHFFFAOYSA-N 1 2 341.418 3.622 20 0 EHADLO O=C(Cc1csc(C2CCCC2)n1)Nc1cccc2[nH+]ccn21 ZINC000875366587 1137632457 /nfs/dbraw/zinc/63/24/57/1137632457.db2.gz KVKWVQJUKLTNIO-UHFFFAOYSA-N 1 2 326.425 3.630 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC000875591512 1137635720 /nfs/dbraw/zinc/63/57/20/1137635720.db2.gz NMTIFENBGMVHRM-INIZCTEOSA-N 1 2 346.862 3.551 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000875905109 1137640541 /nfs/dbraw/zinc/64/05/41/1137640541.db2.gz VGRVZIIDEUFMHY-NVXWUHKLSA-N 1 2 344.846 3.571 20 0 EHADLO COc1ccc(N(C(=O)c2ccn3c(C)c[nH+]c3c2)C(C)C)cc1F ZINC000888693265 1137642358 /nfs/dbraw/zinc/64/23/58/1137642358.db2.gz YDWUTSDRQSLGIY-UHFFFAOYSA-N 1 2 341.386 3.846 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137872629 1137654918 /nfs/dbraw/zinc/65/49/18/1137654918.db2.gz YPEKOPWKRGVNAJ-LLVKDONJSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137872629 1137654919 /nfs/dbraw/zinc/65/49/19/1137654919.db2.gz YPEKOPWKRGVNAJ-LLVKDONJSA-N 1 2 329.362 3.658 20 0 EHADLO COc1ccccc1[C@H](O)C[N@H+](Cc1ncc(Cl)s1)C(C)C ZINC001137110349 1137658521 /nfs/dbraw/zinc/65/85/21/1137658521.db2.gz RCDLUQDXZXTOFC-CYBMUJFWSA-N 1 2 340.876 3.749 20 0 EHADLO COc1ccccc1[C@H](O)C[N@@H+](Cc1ncc(Cl)s1)C(C)C ZINC001137110349 1137658522 /nfs/dbraw/zinc/65/85/22/1137658522.db2.gz RCDLUQDXZXTOFC-CYBMUJFWSA-N 1 2 340.876 3.749 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)on1 ZINC000876694999 1137659381 /nfs/dbraw/zinc/65/93/81/1137659381.db2.gz XTNHBRUSGUNITK-GOSISDBHSA-N 1 2 339.395 3.670 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)on1 ZINC000876694999 1137659382 /nfs/dbraw/zinc/65/93/82/1137659382.db2.gz XTNHBRUSGUNITK-GOSISDBHSA-N 1 2 339.395 3.670 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)o1 ZINC000126127057 1137660129 /nfs/dbraw/zinc/66/01/29/1137660129.db2.gz MWSNBFTYSHDDFH-MRXNPFEDSA-N 1 2 341.455 3.647 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)o1 ZINC000126127057 1137660130 /nfs/dbraw/zinc/66/01/30/1137660130.db2.gz MWSNBFTYSHDDFH-MRXNPFEDSA-N 1 2 341.455 3.647 20 0 EHADLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000876811419 1137662145 /nfs/dbraw/zinc/66/21/45/1137662145.db2.gz KHWMBEGSTSPIGA-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000876811419 1137662146 /nfs/dbraw/zinc/66/21/46/1137662146.db2.gz KHWMBEGSTSPIGA-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO CC(C)O[C@H](CNc1cc(CSCCO)cc[nH+]1)c1ccccc1 ZINC000877128862 1137670976 /nfs/dbraw/zinc/67/09/76/1137670976.db2.gz XFSBQLUPRXCUHF-GOSISDBHSA-N 1 2 346.496 3.885 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877167838 1137671989 /nfs/dbraw/zinc/67/19/89/1137671989.db2.gz KVGZXDOJYPBQID-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877167838 1137671990 /nfs/dbraw/zinc/67/19/90/1137671990.db2.gz KVGZXDOJYPBQID-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO COC(=O)[C@H](C)Cc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877348761 1137674690 /nfs/dbraw/zinc/67/46/90/1137674690.db2.gz OUHAMHHSDIIFBC-CYBMUJFWSA-N 1 2 342.439 3.671 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000877474889 1137677490 /nfs/dbraw/zinc/67/74/90/1137677490.db2.gz IXXBANMMTXDKKN-VIFPVBQESA-N 1 2 335.698 3.682 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000877474889 1137677491 /nfs/dbraw/zinc/67/74/91/1137677491.db2.gz IXXBANMMTXDKKN-VIFPVBQESA-N 1 2 335.698 3.682 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H](C)[S@@]1=O ZINC000877516065 1137679260 /nfs/dbraw/zinc/67/92/60/1137679260.db2.gz BLFJXUGOLBBELD-VPOQAHPWSA-N 1 2 342.917 3.681 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H](C)[S@@]1=O ZINC000877516065 1137679261 /nfs/dbraw/zinc/67/92/61/1137679261.db2.gz BLFJXUGOLBBELD-VPOQAHPWSA-N 1 2 342.917 3.681 20 0 EHADLO C[N@H+](Cc1c(Cl)cncc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000877599260 1137682536 /nfs/dbraw/zinc/68/25/36/1137682536.db2.gz SPZOQULTPNKICK-MRXNPFEDSA-N 1 2 325.239 3.728 20 0 EHADLO C[N@@H+](Cc1c(Cl)cncc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000877599260 1137682537 /nfs/dbraw/zinc/68/25/37/1137682537.db2.gz SPZOQULTPNKICK-MRXNPFEDSA-N 1 2 325.239 3.728 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCCN(c3ncccc3F)CC2)c1 ZINC000825985672 1137683211 /nfs/dbraw/zinc/68/32/11/1137683211.db2.gz VTECSNVLPQPUKT-UHFFFAOYSA-N 1 2 340.377 3.625 20 0 EHADLO C[C@@H]([NH2+]Cc1scnc1Cl)c1ccc(Br)cn1 ZINC000878537096 1137719449 /nfs/dbraw/zinc/71/94/49/1137719449.db2.gz IXAMZRJRZPFIEY-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877698916 1137686214 /nfs/dbraw/zinc/68/62/14/1137686214.db2.gz QVDCENWMPZPOLU-UHFFFAOYSA-N 1 2 328.412 3.797 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)c1 ZINC000877698871 1137686257 /nfs/dbraw/zinc/68/62/57/1137686257.db2.gz PQGXJVZWQYHJSE-UHFFFAOYSA-N 1 2 344.194 3.671 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877712964 1137686859 /nfs/dbraw/zinc/68/68/59/1137686859.db2.gz AUONTCKGRXRKCB-CYBMUJFWSA-N 1 2 349.265 3.768 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877712964 1137686860 /nfs/dbraw/zinc/68/68/60/1137686860.db2.gz AUONTCKGRXRKCB-CYBMUJFWSA-N 1 2 349.265 3.768 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3nc4ccccc4nc3C)CCO2)cc1 ZINC000877755094 1137688132 /nfs/dbraw/zinc/68/81/32/1137688132.db2.gz CCCKBXFNDSPEPI-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3nc4ccccc4nc3C)CCO2)cc1 ZINC000877755094 1137688133 /nfs/dbraw/zinc/68/81/33/1137688133.db2.gz CCCKBXFNDSPEPI-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3cnc4ccccc4c3)CCO2)cc1 ZINC000877757439 1137688245 /nfs/dbraw/zinc/68/82/45/1137688245.db2.gz JNKNOOLWFBMGNP-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCO2)cc1 ZINC000877757439 1137688246 /nfs/dbraw/zinc/68/82/46/1137688246.db2.gz JNKNOOLWFBMGNP-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO CCn1c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)nc2ccccc21 ZINC000877822776 1137691980 /nfs/dbraw/zinc/69/19/80/1137691980.db2.gz ILOREBFATFXZDK-DOMZBBRYSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)nc2ccccc21 ZINC000877822776 1137691981 /nfs/dbraw/zinc/69/19/81/1137691981.db2.gz ILOREBFATFXZDK-DOMZBBRYSA-N 1 2 341.377 3.598 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3cc(F)ccc3o2)CC[C@@H](C(F)(F)F)O1 ZINC000877822381 1137692032 /nfs/dbraw/zinc/69/20/32/1137692032.db2.gz QYUKIHCBXNRFRP-RNCFNFMXSA-N 1 2 332.297 3.509 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3cc(F)ccc3o2)CC[C@@H](C(F)(F)F)O1 ZINC000877822381 1137692033 /nfs/dbraw/zinc/69/20/33/1137692033.db2.gz QYUKIHCBXNRFRP-RNCFNFMXSA-N 1 2 332.297 3.509 20 0 EHADLO Fc1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cccc1OC1CC1 ZINC000877823391 1137692258 /nfs/dbraw/zinc/69/22/58/1137692258.db2.gz YIGGCIBOYRBSHY-CQSZACIVSA-N 1 2 333.325 3.520 20 0 EHADLO Fc1c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cccc1OC1CC1 ZINC000877823391 1137692259 /nfs/dbraw/zinc/69/22/59/1137692259.db2.gz YIGGCIBOYRBSHY-CQSZACIVSA-N 1 2 333.325 3.520 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1Cl)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000877824553 1137692285 /nfs/dbraw/zinc/69/22/85/1137692285.db2.gz IZAJQPGLNWOHLW-OAHLLOKOSA-N 1 2 346.814 3.503 20 0 EHADLO C[N@H+](Cc1cccc(O)c1Cl)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000877824553 1137692286 /nfs/dbraw/zinc/69/22/86/1137692286.db2.gz IZAJQPGLNWOHLW-OAHLLOKOSA-N 1 2 346.814 3.503 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)co2)c1 ZINC000878315031 1137710845 /nfs/dbraw/zinc/71/08/45/1137710845.db2.gz DLRAEVFZFVRRMW-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO COc1cccc(-c2nc(C[N@H+]3CC[C@H](C(F)(F)F)C3)co2)c1 ZINC000878315031 1137710846 /nfs/dbraw/zinc/71/08/46/1137710846.db2.gz DLRAEVFZFVRRMW-LBPRGKRZSA-N 1 2 326.318 3.734 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)c(C)s1 ZINC000878351358 1137712002 /nfs/dbraw/zinc/71/20/02/1137712002.db2.gz QQDMQJYAQOKKCF-LLVKDONJSA-N 1 2 329.425 3.971 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1OC(F)F ZINC000878351628 1137712006 /nfs/dbraw/zinc/71/20/06/1137712006.db2.gz WXVITWFQFLNABR-SNVBAGLBSA-N 1 2 331.313 3.600 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2scnc2Cl)cc1OC ZINC000878364671 1137712738 /nfs/dbraw/zinc/71/27/38/1137712738.db2.gz TUCCVLHQDYZLDN-QMMMGPOBSA-N 1 2 330.812 3.804 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2noc3c2CC(C)(C)CC3)C(C)(C)C)cn1 ZINC000878371527 1137713157 /nfs/dbraw/zinc/71/31/57/1137713157.db2.gz NFAIHBJAMIRPJU-KRWDZBQOSA-N 1 2 330.476 3.800 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392995 1137714042 /nfs/dbraw/zinc/71/40/42/1137714042.db2.gz TYZITSISKJWMCB-PWSUYJOCSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392995 1137714043 /nfs/dbraw/zinc/71/40/43/1137714043.db2.gz TYZITSISKJWMCB-PWSUYJOCSA-N 1 2 341.333 3.605 20 0 EHADLO CC(C)(CC(=O)NCc1ccccc1-n1cc[nH+]c1)CC(F)(F)F ZINC000878399581 1137714222 /nfs/dbraw/zinc/71/42/22/1137714222.db2.gz VRGDXVMQMWCYMT-UHFFFAOYSA-N 1 2 339.361 3.857 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnc(-c3cccc(O)c3)o1)CC2 ZINC000878457866 1137716753 /nfs/dbraw/zinc/71/67/53/1137716753.db2.gz IDXFTDKGVUYPSZ-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnc(-c3cccc(O)c3)o1)CC2 ZINC000878457866 1137716754 /nfs/dbraw/zinc/71/67/54/1137716754.db2.gz IDXFTDKGVUYPSZ-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2ncsc2C1)c1ccc(Cl)c(Cl)c1 ZINC000878481289 1137717453 /nfs/dbraw/zinc/71/74/53/1137717453.db2.gz NHJBZEBVTXRZFX-ZDUSSCGKSA-N 1 2 329.252 3.542 20 0 EHADLO O[C@@H](C[N@H+]1CCc2ncsc2C1)c1ccc(Cl)c(Cl)c1 ZINC000878481289 1137717454 /nfs/dbraw/zinc/71/74/54/1137717454.db2.gz NHJBZEBVTXRZFX-ZDUSSCGKSA-N 1 2 329.252 3.542 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4ccsc4[C@H]3C)ccc2[nH+]1 ZINC000878565994 1137720617 /nfs/dbraw/zinc/72/06/17/1137720617.db2.gz XZNVXXYPWMBSBF-GFCCVEGCSA-N 1 2 326.425 3.855 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C)cc1 ZINC000878613057 1137722242 /nfs/dbraw/zinc/72/22/42/1137722242.db2.gz DHDUYHDYBQMGTM-MLGOLLRUSA-N 1 2 333.382 3.736 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000878613172 1137722274 /nfs/dbraw/zinc/72/22/74/1137722274.db2.gz HHHNDCZTDXINNC-UHFFFAOYSA-N 1 2 344.278 3.844 20 0 EHADLO FC(F)(F)OCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000878616207 1137722396 /nfs/dbraw/zinc/72/23/96/1137722396.db2.gz LJPRPUNEWWBJHD-LBPRGKRZSA-N 1 2 333.354 3.791 20 0 EHADLO FC(F)(F)OCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000878616207 1137722397 /nfs/dbraw/zinc/72/23/97/1137722397.db2.gz LJPRPUNEWWBJHD-LBPRGKRZSA-N 1 2 333.354 3.791 20 0 EHADLO Cc1cc(C[NH+]2CCC(Cc3nnc(C(C)C)[nH]3)CC2)cc(Cl)n1 ZINC000878797578 1137728474 /nfs/dbraw/zinc/72/84/74/1137728474.db2.gz MRXQZODSCQDWLV-UHFFFAOYSA-N 1 2 347.894 3.740 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000878916843 1137732034 /nfs/dbraw/zinc/73/20/34/1137732034.db2.gz UWVKSMRHFIZYJF-GOSISDBHSA-N 1 2 340.423 3.969 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000878916843 1137732035 /nfs/dbraw/zinc/73/20/35/1137732035.db2.gz UWVKSMRHFIZYJF-GOSISDBHSA-N 1 2 340.423 3.969 20 0 EHADLO COC[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccc(OC)c1 ZINC000878918046 1137732050 /nfs/dbraw/zinc/73/20/50/1137732050.db2.gz CPGYKPRXSOAVCL-INIZCTEOSA-N 1 2 341.238 3.874 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000879104201 1137738001 /nfs/dbraw/zinc/73/80/01/1137738001.db2.gz YYPLESJEXDWTKT-AWEZNQCLSA-N 1 2 337.464 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000879104201 1137738002 /nfs/dbraw/zinc/73/80/02/1137738002.db2.gz YYPLESJEXDWTKT-AWEZNQCLSA-N 1 2 337.464 3.506 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000879151481 1137739499 /nfs/dbraw/zinc/73/94/99/1137739499.db2.gz ANCXAXHHXMBEIY-SUMWQHHRSA-N 1 2 347.409 3.549 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636919 1137752932 /nfs/dbraw/zinc/75/29/32/1137752932.db2.gz SCMDWCTUMIWZOI-ZFWWWQNUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636919 1137752933 /nfs/dbraw/zinc/75/29/33/1137752933.db2.gz SCMDWCTUMIWZOI-ZFWWWQNUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000879740049 1137757208 /nfs/dbraw/zinc/75/72/08/1137757208.db2.gz ZQQDVKNGVRVNDJ-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000879740049 1137757209 /nfs/dbraw/zinc/75/72/09/1137757209.db2.gz ZQQDVKNGVRVNDJ-OAQYLSRUSA-N 1 2 334.419 3.817 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000879837787 1137760421 /nfs/dbraw/zinc/76/04/21/1137760421.db2.gz LJFLLPUKTYTDOY-UHFFFAOYSA-N 1 2 332.407 3.570 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000880001770 1137764335 /nfs/dbraw/zinc/76/43/35/1137764335.db2.gz ATJOQXAWOGSREB-CQSZACIVSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000880001770 1137764336 /nfs/dbraw/zinc/76/43/36/1137764336.db2.gz ATJOQXAWOGSREB-CQSZACIVSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@H](C(F)(F)F)O1 ZINC000880057240 1137766818 /nfs/dbraw/zinc/76/68/18/1137766818.db2.gz VZGWMIBJEHLUEZ-BLLLJJGKSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@H](C(F)(F)F)O1 ZINC000880057240 1137766819 /nfs/dbraw/zinc/76/68/19/1137766819.db2.gz VZGWMIBJEHLUEZ-BLLLJJGKSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@H](C(F)(F)F)O1 ZINC000880057242 1137766845 /nfs/dbraw/zinc/76/68/45/1137766845.db2.gz VZGWMIBJEHLUEZ-MLGOLLRUSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@H](C(F)(F)F)O1 ZINC000880057242 1137766846 /nfs/dbraw/zinc/76/68/46/1137766846.db2.gz VZGWMIBJEHLUEZ-MLGOLLRUSA-N 1 2 340.345 3.883 20 0 EHADLO CCCC1(CCC)CCC[N@@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000880093659 1137768003 /nfs/dbraw/zinc/76/80/03/1137768003.db2.gz FNBWSVTYOZGSBI-UHFFFAOYSA-N 1 2 344.546 3.623 20 0 EHADLO CCCC1(CCC)CCC[N@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000880093659 1137768004 /nfs/dbraw/zinc/76/80/04/1137768004.db2.gz FNBWSVTYOZGSBI-UHFFFAOYSA-N 1 2 344.546 3.623 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@]3(c4ccccc4)C[C@@H](O)C3)co2)cc1 ZINC000880223877 1137771356 /nfs/dbraw/zinc/77/13/56/1137771356.db2.gz STXHVNNBMZTPLB-TYKWCNGQSA-N 1 2 334.419 3.790 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CF)C2)cs1)c1ccc(C)cc1 ZINC000880296624 1137773926 /nfs/dbraw/zinc/77/39/26/1137773926.db2.gz FJPDAOZMLDOCDJ-OAHLLOKOSA-N 1 2 347.459 3.928 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](CF)C2)cs1)c1ccc(C)cc1 ZINC000880296624 1137773927 /nfs/dbraw/zinc/77/39/27/1137773927.db2.gz FJPDAOZMLDOCDJ-OAHLLOKOSA-N 1 2 347.459 3.928 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319822 1137775056 /nfs/dbraw/zinc/77/50/56/1137775056.db2.gz KXDOESYQKHQYFQ-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319822 1137775057 /nfs/dbraw/zinc/77/50/57/1137775057.db2.gz KXDOESYQKHQYFQ-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO c1cnc(C2([NH2+]Cc3ccc(OCc4cccnc4)cc3)CCC2)nc1 ZINC000880365242 1137776348 /nfs/dbraw/zinc/77/63/48/1137776348.db2.gz GZMDMWQLBYCGIX-UHFFFAOYSA-N 1 2 346.434 3.620 20 0 EHADLO c1cnc(C2([NH2+]Cc3ccc(OCc4ccncc4)cc3)CCC2)nc1 ZINC000880365684 1137776419 /nfs/dbraw/zinc/77/64/19/1137776419.db2.gz PEDNRNVPRTYSCE-UHFFFAOYSA-N 1 2 346.434 3.620 20 0 EHADLO CC(C)([NH2+]Cc1nnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 ZINC000880383480 1137777262 /nfs/dbraw/zinc/77/72/62/1137777262.db2.gz DYNDZCIYFPZKSH-UHFFFAOYSA-N 1 2 325.334 3.991 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880378208 1137777315 /nfs/dbraw/zinc/77/73/15/1137777315.db2.gz QCJCGRDVDBXGAA-ZDUSSCGKSA-N 1 2 330.453 3.705 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880378208 1137777316 /nfs/dbraw/zinc/77/73/16/1137777316.db2.gz QCJCGRDVDBXGAA-ZDUSSCGKSA-N 1 2 330.453 3.705 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)s1 ZINC000880539386 1137780936 /nfs/dbraw/zinc/78/09/36/1137780936.db2.gz XOLVNUPLDLRNLX-LRDDRELGSA-N 1 2 328.437 3.754 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)s1 ZINC000880539386 1137780937 /nfs/dbraw/zinc/78/09/37/1137780937.db2.gz XOLVNUPLDLRNLX-LRDDRELGSA-N 1 2 328.437 3.754 20 0 EHADLO COC[C@H](C)[N@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000626133063 1137782573 /nfs/dbraw/zinc/78/25/73/1137782573.db2.gz GRSSAGVITHCJMW-MAUKXSAKSA-N 1 2 342.487 3.558 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000626133063 1137782574 /nfs/dbraw/zinc/78/25/74/1137782574.db2.gz GRSSAGVITHCJMW-MAUKXSAKSA-N 1 2 342.487 3.558 20 0 EHADLO Nc1cccc(C[N@@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000626132605 1137786624 /nfs/dbraw/zinc/78/66/24/1137786624.db2.gz QREOFROLHQRNHL-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc(C[N@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000626132605 1137786625 /nfs/dbraw/zinc/78/66/25/1137786625.db2.gz QREOFROLHQRNHL-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO CCCc1noc(C[N@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134276 1137791168 /nfs/dbraw/zinc/79/11/68/1137791168.db2.gz DHTBSGQAFLUEGA-PBHICJAKSA-N 1 2 329.444 3.547 20 0 EHADLO CCCc1noc(C[N@@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134276 1137791169 /nfs/dbraw/zinc/79/11/69/1137791169.db2.gz DHTBSGQAFLUEGA-PBHICJAKSA-N 1 2 329.444 3.547 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168115 1137811896 /nfs/dbraw/zinc/81/18/96/1137811896.db2.gz QQEVPOOLIFRRMF-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168115 1137811897 /nfs/dbraw/zinc/81/18/97/1137811897.db2.gz QQEVPOOLIFRRMF-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2(C)C)cc1 ZINC000881660070 1137813180 /nfs/dbraw/zinc/81/31/80/1137813180.db2.gz KPBKMWOKPWYHBQ-CRAIPNDOSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2(C)C)cc1 ZINC000881660070 1137813181 /nfs/dbraw/zinc/81/31/81/1137813181.db2.gz KPBKMWOKPWYHBQ-CRAIPNDOSA-N 1 2 325.456 3.691 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000888903997 1137820049 /nfs/dbraw/zinc/82/00/49/1137820049.db2.gz GSCCNHFVLYAROJ-GUDVDZBRSA-N 1 2 337.467 3.678 20 0 EHADLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887950 1137821176 /nfs/dbraw/zinc/82/11/76/1137821176.db2.gz DPJWEMWTPJGVMW-SCLBCKFNSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887950 1137821177 /nfs/dbraw/zinc/82/11/77/1137821177.db2.gz DPJWEMWTPJGVMW-SCLBCKFNSA-N 1 2 343.389 3.512 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(N2CCCCC2)c(F)c1)n1cc[nH+]c1 ZINC000882651935 1137830790 /nfs/dbraw/zinc/83/07/90/1137830790.db2.gz WCKYXHILLPYVKG-CQSZACIVSA-N 1 2 330.407 3.602 20 0 EHADLO Cc1c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1C(C)C ZINC000882871842 1137836176 /nfs/dbraw/zinc/83/61/76/1137836176.db2.gz PKUHHARAHVOQOT-LJQANCHMSA-N 1 2 336.439 3.745 20 0 EHADLO CCCCS[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873665 1137836380 /nfs/dbraw/zinc/83/63/80/1137836380.db2.gz GZPAXJZIFFPUQB-WBVHZDCISA-N 1 2 331.485 3.662 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000882879741 1137836466 /nfs/dbraw/zinc/83/64/66/1137836466.db2.gz KNNRWPQPGRCPPR-UHFFFAOYSA-N 1 2 341.242 3.568 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C)cc2)n1 ZINC000626154033 1137839065 /nfs/dbraw/zinc/83/90/65/1137839065.db2.gz DEIDRDCOOSQLOV-SFHVURJKSA-N 1 2 343.496 3.609 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C)cc2)n1 ZINC000626154033 1137839066 /nfs/dbraw/zinc/83/90/66/1137839066.db2.gz DEIDRDCOOSQLOV-SFHVURJKSA-N 1 2 343.496 3.609 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000130668142 1137840662 /nfs/dbraw/zinc/84/06/62/1137840662.db2.gz HEUAJBNGUZVCJD-INIZCTEOSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000130668142 1137840663 /nfs/dbraw/zinc/84/06/63/1137840663.db2.gz HEUAJBNGUZVCJD-INIZCTEOSA-N 1 2 343.446 3.908 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccnc(F)c1 ZINC000883214181 1137849013 /nfs/dbraw/zinc/84/90/13/1137849013.db2.gz ZYJRUTOXBGCPIM-UHFFFAOYSA-N 1 2 328.391 3.609 20 0 EHADLO CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2csc(C)n2)CC1 ZINC000883280008 1137852326 /nfs/dbraw/zinc/85/23/26/1137852326.db2.gz NBZPNZHCFXFHGI-UHFFFAOYSA-N 1 2 339.505 3.721 20 0 EHADLO Cc1sc(C[NH2+]C2(c3ncccn3)CCC2)cc1Br ZINC000883305030 1137853574 /nfs/dbraw/zinc/85/35/74/1137853574.db2.gz MJVJHRLMGFVOCV-UHFFFAOYSA-N 1 2 338.274 3.778 20 0 EHADLO Cc1cc(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)c[nH+]c1C ZINC000883341695 1137856027 /nfs/dbraw/zinc/85/60/27/1137856027.db2.gz XSXRQGOWWRKHDC-ZDUSSCGKSA-N 1 2 329.391 3.659 20 0 EHADLO CCC(=CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)CC ZINC000131912614 1137861256 /nfs/dbraw/zinc/86/12/56/1137861256.db2.gz YYSUWIFADAXGFO-UHFFFAOYSA-N 1 2 329.488 3.584 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)cc(C)[nH+]1 ZINC000883695971 1137867457 /nfs/dbraw/zinc/86/74/57/1137867457.db2.gz RUWIYFRVRKURJY-ROUUACIJSA-N 1 2 327.403 3.523 20 0 EHADLO C[C@@H]1CC[N@H+](CN2C(=O)SC(C)(C)C2=O)[C@@H]1c1cccc(F)c1 ZINC000132744514 1137868893 /nfs/dbraw/zinc/86/88/93/1137868893.db2.gz YRSTXAYNHPGRHF-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H]1CC[N@@H+](CN2C(=O)SC(C)(C)C2=O)[C@@H]1c1cccc(F)c1 ZINC000132744514 1137868894 /nfs/dbraw/zinc/86/88/94/1137868894.db2.gz YRSTXAYNHPGRHF-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO Cc1ccc2c(Nc3cnc(-n4nccn4)c(Cl)c3)cccc2[nH+]1 ZINC001212796775 1137871377 /nfs/dbraw/zinc/87/13/77/1137871377.db2.gz BWIUXOYEULQWSZ-UHFFFAOYSA-N 1 2 336.786 3.916 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000103474632 1137876508 /nfs/dbraw/zinc/87/65/08/1137876508.db2.gz XTIBVFQOWLNGMG-CVEARBPZSA-N 1 2 342.487 3.783 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000103474632 1137876509 /nfs/dbraw/zinc/87/65/09/1137876509.db2.gz XTIBVFQOWLNGMG-CVEARBPZSA-N 1 2 342.487 3.783 20 0 EHADLO C[C@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000282853130 1137883691 /nfs/dbraw/zinc/88/36/91/1137883691.db2.gz TYLLDOSKVMZNHR-CLPROHDKSA-N 1 2 337.467 3.877 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348267671 1137889704 /nfs/dbraw/zinc/88/97/04/1137889704.db2.gz BWUOZTOQZQGMCD-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348267671 1137889705 /nfs/dbraw/zinc/88/97/05/1137889705.db2.gz BWUOZTOQZQGMCD-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331410603 1137893485 /nfs/dbraw/zinc/89/34/85/1137893485.db2.gz NIGLRHVMMKLUGX-ZDUSSCGKSA-N 1 2 346.862 3.775 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC000029485324 1137893782 /nfs/dbraw/zinc/89/37/82/1137893782.db2.gz HDJYVSYFEDIOFB-SFHVURJKSA-N 1 2 349.883 3.733 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC000029485324 1137893783 /nfs/dbraw/zinc/89/37/83/1137893783.db2.gz HDJYVSYFEDIOFB-SFHVURJKSA-N 1 2 349.883 3.733 20 0 EHADLO c1csc(-c2nc(CNc3cc(N4CCCCC4)nc[nH+]3)co2)c1 ZINC000110125336 1137899269 /nfs/dbraw/zinc/89/92/69/1137899269.db2.gz DYWGSCZPCYDKLN-UHFFFAOYSA-N 1 2 341.440 3.796 20 0 EHADLO c1csc(-c2nc(CNc3cc(N4CCCCC4)[nH+]cn3)co2)c1 ZINC000110125336 1137899270 /nfs/dbraw/zinc/89/92/70/1137899270.db2.gz DYWGSCZPCYDKLN-UHFFFAOYSA-N 1 2 341.440 3.796 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000111376159 1137904352 /nfs/dbraw/zinc/90/43/52/1137904352.db2.gz BMWQELDOCOLKSF-ILXRZTDVSA-N 1 2 345.512 3.665 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331503667 1137910704 /nfs/dbraw/zinc/91/07/04/1137910704.db2.gz ZTDQCOBKNGFYRG-UHFFFAOYSA-N 1 2 332.492 3.721 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)no1 ZINC000114472570 1137917549 /nfs/dbraw/zinc/91/75/49/1137917549.db2.gz CZTRTBLKVMCKMZ-HNNXBMFYSA-N 1 2 339.443 3.688 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)no1 ZINC000114472570 1137917550 /nfs/dbraw/zinc/91/75/50/1137917550.db2.gz CZTRTBLKVMCKMZ-HNNXBMFYSA-N 1 2 339.443 3.688 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331719469 1137918299 /nfs/dbraw/zinc/91/82/99/1137918299.db2.gz ILXHXYLZDUDXIQ-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331719469 1137918300 /nfs/dbraw/zinc/91/83/00/1137918300.db2.gz ILXHXYLZDUDXIQ-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000116192493 1137925147 /nfs/dbraw/zinc/92/51/47/1137925147.db2.gz FNWQKDBVJPHHIC-OAHLLOKOSA-N 1 2 329.419 3.723 20 0 EHADLO CC(C)c1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1C(C)(C)C ZINC000331990971 1137927927 /nfs/dbraw/zinc/92/79/27/1137927927.db2.gz XUXJBEZBCYSYIW-UHFFFAOYSA-N 1 2 343.475 3.504 20 0 EHADLO Cc1ccc(OC2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000116883013 1137928026 /nfs/dbraw/zinc/92/80/26/1137928026.db2.gz LJJRGUPTXKSFPG-AWEZNQCLSA-N 1 2 327.428 3.860 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCc4n[nH]cc4C3)c2cc1C(C)C ZINC000118853160 1137935952 /nfs/dbraw/zinc/93/59/52/1137935952.db2.gz HDKSPTHGFXTNKT-UHFFFAOYSA-N 1 2 337.423 3.506 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCc4n[nH]cc4C3)c2cc1C(C)C ZINC000118853160 1137935953 /nfs/dbraw/zinc/93/59/53/1137935953.db2.gz HDKSPTHGFXTNKT-UHFFFAOYSA-N 1 2 337.423 3.506 20 0 EHADLO CC(C)CC[C@H]1CCCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332251653 1137937289 /nfs/dbraw/zinc/93/72/89/1137937289.db2.gz BWULMPACZZQLJT-QGZVFWFLSA-N 1 2 332.492 3.720 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000332293609 1137938682 /nfs/dbraw/zinc/93/86/82/1137938682.db2.gz LRFNNYHBKBQMES-CQSZACIVSA-N 1 2 344.846 3.752 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000332369897 1137941821 /nfs/dbraw/zinc/94/18/21/1137941821.db2.gz FFIVDZVHSIWFGM-CYBMUJFWSA-N 1 2 328.416 3.529 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000332369897 1137941822 /nfs/dbraw/zinc/94/18/22/1137941822.db2.gz FFIVDZVHSIWFGM-CYBMUJFWSA-N 1 2 328.416 3.529 20 0 EHADLO Cc1cc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C(C)C ZINC000333003483 1137952672 /nfs/dbraw/zinc/95/26/72/1137952672.db2.gz DGWLONBWHRQMHM-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1cc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C(C)C ZINC000333003483 1137952673 /nfs/dbraw/zinc/95/26/73/1137952673.db2.gz DGWLONBWHRQMHM-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000120846125 1137952865 /nfs/dbraw/zinc/95/28/65/1137952865.db2.gz ZLLKAYIWQLLXEK-UHFFFAOYSA-N 1 2 325.456 3.803 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333202577 1137958108 /nfs/dbraw/zinc/95/81/08/1137958108.db2.gz ZTQAJFFRGKACFU-QAPCUYQASA-N 1 2 344.503 3.687 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884482007 1137961070 /nfs/dbraw/zinc/96/10/70/1137961070.db2.gz VDEHMTCFHBMYKQ-CABCVRRESA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884482007 1137961071 /nfs/dbraw/zinc/96/10/71/1137961071.db2.gz VDEHMTCFHBMYKQ-CABCVRRESA-N 1 2 347.509 3.799 20 0 EHADLO C[C@H](CC(=O)OC[C@H]1CCC[C@H](c2ccccc2)O1)n1cc[nH+]c1 ZINC000884566785 1137963348 /nfs/dbraw/zinc/96/33/48/1137963348.db2.gz SZUKVMLZIRNIRX-KBAYOESNSA-N 1 2 328.412 3.688 20 0 EHADLO OC[C@H](C[C@@H]1CCCO1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000884616620 1137964557 /nfs/dbraw/zinc/96/45/57/1137964557.db2.gz ZQEXWERXUAGWLP-KBPBESRZSA-N 1 2 340.345 3.596 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337329 1137976799 /nfs/dbraw/zinc/97/67/99/1137976799.db2.gz BXFFBEYTHHRHFO-GOSISDBHSA-N 1 2 333.476 3.507 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337329 1137976801 /nfs/dbraw/zinc/97/68/01/1137976801.db2.gz BXFFBEYTHHRHFO-GOSISDBHSA-N 1 2 333.476 3.507 20 0 EHADLO CN(C)Cc1cnc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337329 1137976804 /nfs/dbraw/zinc/97/68/04/1137976804.db2.gz BXFFBEYTHHRHFO-GOSISDBHSA-N 1 2 333.476 3.507 20 0 EHADLO CN(C)Cc1cnc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337329 1137976806 /nfs/dbraw/zinc/97/68/06/1137976806.db2.gz BXFFBEYTHHRHFO-GOSISDBHSA-N 1 2 333.476 3.507 20 0 EHADLO C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3cccc(F)c3)sc2C1 ZINC000348344350 1137990123 /nfs/dbraw/zinc/99/01/23/1137990123.db2.gz OQMSWQILQJXVIJ-VMGRFDJRSA-N 1 2 346.471 3.715 20 0 EHADLO C[C@@H]1CCc2nc(C[N@H+]3C[C@H](O)C[C@H]3c3cccc(F)c3)sc2C1 ZINC000348344350 1137990125 /nfs/dbraw/zinc/99/01/25/1137990125.db2.gz OQMSWQILQJXVIJ-VMGRFDJRSA-N 1 2 346.471 3.715 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885240330 1137990992 /nfs/dbraw/zinc/99/09/92/1137990992.db2.gz XVFFKGMWDVQGNL-XNJGSVPQSA-N 1 2 349.887 3.852 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885240330 1137990993 /nfs/dbraw/zinc/99/09/93/1137990993.db2.gz XVFFKGMWDVQGNL-XNJGSVPQSA-N 1 2 349.887 3.852 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885248168 1137991795 /nfs/dbraw/zinc/99/17/95/1137991795.db2.gz MDUXXKGMASGEAY-MRXNPFEDSA-N 1 2 337.876 3.612 20 0 EHADLO Cc1cc(N2CCC(c3noc(C(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000348346209 1137997437 /nfs/dbraw/zinc/99/74/37/1137997437.db2.gz BMWDFKITVKFNGK-UHFFFAOYSA-N 1 2 329.448 3.799 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000135982411 1138011509 /nfs/dbraw/zinc/01/15/09/1138011509.db2.gz MRQCWGCXZMHQLH-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC2(CCC2)CO1 ZINC000886023889 1138033075 /nfs/dbraw/zinc/03/30/75/1138033075.db2.gz UGPIRJXXKVAOTM-LJQANCHMSA-N 1 2 339.483 3.713 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC2(CCC2)CO1 ZINC000886023889 1138033077 /nfs/dbraw/zinc/03/30/77/1138033077.db2.gz UGPIRJXXKVAOTM-LJQANCHMSA-N 1 2 339.483 3.713 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(F)c1 ZINC000886611380 1138101675 /nfs/dbraw/zinc/10/16/75/1138101675.db2.gz ZWJYEYOBEXGOMH-LRDDRELGSA-N 1 2 344.352 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(F)c1 ZINC000886611380 1138101677 /nfs/dbraw/zinc/10/16/77/1138101677.db2.gz ZWJYEYOBEXGOMH-LRDDRELGSA-N 1 2 344.352 3.737 20 0 EHADLO C[C@H]1CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072875923 1138108612 /nfs/dbraw/zinc/10/86/12/1138108612.db2.gz JEYVFQCMXCUPOY-LBPRGKRZSA-N 1 2 325.437 3.636 20 0 EHADLO C[C@H]1CCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072875923 1138108614 /nfs/dbraw/zinc/10/86/14/1138108614.db2.gz JEYVFQCMXCUPOY-LBPRGKRZSA-N 1 2 325.437 3.636 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)OC(C)C)CC3)co2)cc1 ZINC000886722011 1138125494 /nfs/dbraw/zinc/12/54/94/1138125494.db2.gz RDWDKBJJPDAKST-UHFFFAOYSA-N 1 2 342.439 3.814 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000075915370 1138129099 /nfs/dbraw/zinc/12/90/99/1138129099.db2.gz FZHBTIWQORLAQN-UHFFFAOYSA-N 1 2 334.467 3.629 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000075915370 1138129100 /nfs/dbraw/zinc/12/91/00/1138129100.db2.gz FZHBTIWQORLAQN-UHFFFAOYSA-N 1 2 334.467 3.629 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969370 1138129449 /nfs/dbraw/zinc/12/94/49/1138129449.db2.gz CBSAAXFBHUCVEF-GFCCVEGCSA-N 1 2 339.361 3.996 20 0 EHADLO O=C(CC/C=C/c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000078053811 1138145201 /nfs/dbraw/zinc/14/52/01/1138145201.db2.gz GOBWCSMWZPLIBE-ONNFQVAWSA-N 1 2 335.451 3.792 20 0 EHADLO CCCCN(CCCC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079103820 1138154940 /nfs/dbraw/zinc/15/49/40/1138154940.db2.gz CJXDIUXYPVWUOD-UHFFFAOYSA-N 1 2 332.492 3.794 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(C)o1 ZINC000080238562 1138161647 /nfs/dbraw/zinc/16/16/47/1138161647.db2.gz QRKQJMKXMPPQDL-LLVKDONJSA-N 1 2 330.247 3.889 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccc(SC(F)(F)F)c1 ZINC000886931748 1138173458 /nfs/dbraw/zinc/17/34/58/1138173458.db2.gz ZQVPOFSFXZCCPN-VIFPVBQESA-N 1 2 328.363 3.522 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000886949502 1138174424 /nfs/dbraw/zinc/17/44/24/1138174424.db2.gz PZTHGLVDYCQAFR-NSHDSACASA-N 1 2 340.349 3.558 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137847 1138177942 /nfs/dbraw/zinc/17/79/42/1138177942.db2.gz LMSRRQBAHDYHKH-UHFFFAOYSA-N 1 2 344.377 3.688 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084137847 1138177943 /nfs/dbraw/zinc/17/79/43/1138177943.db2.gz LMSRRQBAHDYHKH-UHFFFAOYSA-N 1 2 344.377 3.688 20 0 EHADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137236683 1138184142 /nfs/dbraw/zinc/18/41/42/1138184142.db2.gz LZYZVPOAOKUKKK-UHFFFAOYSA-N 1 2 339.867 3.566 20 0 EHADLO OC1(C[C@@H]2CCCC[N@@H+]2Cc2noc(C3CCC3)n2)CCCCC1 ZINC000887034369 1138187352 /nfs/dbraw/zinc/18/73/52/1138187352.db2.gz RUVZKPYCIOGLEJ-INIZCTEOSA-N 1 2 333.476 3.777 20 0 EHADLO OC1(C[C@@H]2CCCC[N@H+]2Cc2noc(C3CCC3)n2)CCCCC1 ZINC000887034369 1138187355 /nfs/dbraw/zinc/18/73/55/1138187355.db2.gz RUVZKPYCIOGLEJ-INIZCTEOSA-N 1 2 333.476 3.777 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)CCOCC2CC2)cs1 ZINC000088598980 1138194678 /nfs/dbraw/zinc/19/46/78/1138194678.db2.gz OIDCUDWNWJZYPJ-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)CCOCC2CC2)cs1 ZINC000088598980 1138194681 /nfs/dbraw/zinc/19/46/81/1138194681.db2.gz OIDCUDWNWJZYPJ-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 ZINC000348404268 1138209827 /nfs/dbraw/zinc/20/98/27/1138209827.db2.gz DQDACHRFHFIUMP-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccn1 ZINC000090912995 1138214287 /nfs/dbraw/zinc/21/42/87/1138214287.db2.gz ZKPOKIULWOGCAR-LAUBAEHRSA-N 1 2 348.450 3.580 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921146 1138222984 /nfs/dbraw/zinc/22/29/84/1138222984.db2.gz FQAHKHBCFXTJMH-OHSHEKCOSA-N 1 2 347.455 3.725 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921146 1138222987 /nfs/dbraw/zinc/22/29/87/1138222987.db2.gz FQAHKHBCFXTJMH-OHSHEKCOSA-N 1 2 347.455 3.725 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092225038 1138225861 /nfs/dbraw/zinc/22/58/61/1138225861.db2.gz WOFGIANJSJHVOZ-MRXNPFEDSA-N 1 2 344.365 3.993 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092225038 1138225864 /nfs/dbraw/zinc/22/58/64/1138225864.db2.gz WOFGIANJSJHVOZ-MRXNPFEDSA-N 1 2 344.365 3.993 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000126032959 1138322126 /nfs/dbraw/zinc/32/21/26/1138322126.db2.gz MENWKSKILDOERV-ACJLOTCBSA-N 1 2 336.439 3.705 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1cccs1 ZINC000126169568 1138325648 /nfs/dbraw/zinc/32/56/48/1138325648.db2.gz XGMBNEBXBYDJRS-VOTSOKGWSA-N 1 2 342.464 3.541 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263671130 1138340158 /nfs/dbraw/zinc/34/01/58/1138340158.db2.gz GHDZMNJPZUQPOQ-HNNXBMFYSA-N 1 2 341.436 3.544 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263671130 1138340159 /nfs/dbraw/zinc/34/01/59/1138340159.db2.gz GHDZMNJPZUQPOQ-HNNXBMFYSA-N 1 2 341.436 3.544 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127183891 1138349122 /nfs/dbraw/zinc/34/91/22/1138349122.db2.gz JMGCRUZSLVSAOW-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127183891 1138349127 /nfs/dbraw/zinc/34/91/27/1138349127.db2.gz JMGCRUZSLVSAOW-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3n2C)ccc1SC ZINC000263746729 1138355077 /nfs/dbraw/zinc/35/50/77/1138355077.db2.gz SAJOODSCQRVYIZ-UHFFFAOYSA-N 1 2 341.480 3.936 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)ccc1SC ZINC000263746729 1138355082 /nfs/dbraw/zinc/35/50/82/1138355082.db2.gz SAJOODSCQRVYIZ-UHFFFAOYSA-N 1 2 341.480 3.936 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127738042 1138369207 /nfs/dbraw/zinc/36/92/07/1138369207.db2.gz MMXVQAOJRVVOCC-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127738042 1138369211 /nfs/dbraw/zinc/36/92/11/1138369211.db2.gz MMXVQAOJRVVOCC-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO Cc1nc(C2([NH2+]CC3=Cc4ccccc4OC3)CCCCC2)no1 ZINC000263803528 1138370500 /nfs/dbraw/zinc/37/05/00/1138370500.db2.gz KRGZXVDSPHVTTB-UHFFFAOYSA-N 1 2 325.412 3.603 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127871559 1138373517 /nfs/dbraw/zinc/37/35/17/1138373517.db2.gz XARDBEQOQDIOST-ZDUSSCGKSA-N 1 2 347.846 3.684 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127871559 1138373519 /nfs/dbraw/zinc/37/35/19/1138373519.db2.gz XARDBEQOQDIOST-ZDUSSCGKSA-N 1 2 347.846 3.684 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000127887468 1138374030 /nfs/dbraw/zinc/37/40/30/1138374030.db2.gz LYEWQZVEUIEVLE-AWEZNQCLSA-N 1 2 346.500 3.574 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000127951632 1138376112 /nfs/dbraw/zinc/37/61/12/1138376112.db2.gz MRVIRQOQNPGXSJ-UHFFFAOYSA-N 1 2 326.444 3.572 20 0 EHADLO COc1ccccc1/C=C/C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000263835560 1138377682 /nfs/dbraw/zinc/37/76/82/1138377682.db2.gz WSRDUXKZQKKXPI-CSKARUKUSA-N 1 2 327.428 3.849 20 0 EHADLO CC(C)c1csc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000128700272 1138396105 /nfs/dbraw/zinc/39/61/05/1138396105.db2.gz AZFIPOLQWSWXCV-LBPRGKRZSA-N 1 2 338.498 3.521 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000129325112 1138409050 /nfs/dbraw/zinc/40/90/50/1138409050.db2.gz AYXBRYKNCDMKQT-CQSZACIVSA-N 1 2 339.464 3.662 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000129323706 1138409088 /nfs/dbraw/zinc/40/90/88/1138409088.db2.gz ZTAYSECPIKEMGJ-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000348437592 1138420318 /nfs/dbraw/zinc/42/03/18/1138420318.db2.gz NXMOCRGKRLLXBM-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCN1CC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@H]1c1ncc[nH]1 ZINC000348438014 1138424069 /nfs/dbraw/zinc/42/40/69/1138424069.db2.gz DWUJOOJFIZPNSE-WFASDCNBSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@H]1c1ncc[nH]1 ZINC000348438014 1138424070 /nfs/dbraw/zinc/42/40/70/1138424070.db2.gz DWUJOOJFIZPNSE-WFASDCNBSA-N 1 2 336.842 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2(C)CCCC2)C[C@H](C)O1 ZINC000264129335 1138424978 /nfs/dbraw/zinc/42/49/78/1138424978.db2.gz YFYKQKQQRKGPDG-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2(C)CCCC2)C[C@H](C)O1 ZINC000264129335 1138424981 /nfs/dbraw/zinc/42/49/81/1138424981.db2.gz YFYKQKQQRKGPDG-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO CCc1ccsc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264149721 1138429416 /nfs/dbraw/zinc/42/94/16/1138429416.db2.gz ABOMWZFFVGURDC-CQSZACIVSA-N 1 2 344.480 3.956 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000264158651 1138431221 /nfs/dbraw/zinc/43/12/21/1138431221.db2.gz INDVLGNNDRFAGP-HZPDHXFCSA-N 1 2 325.456 3.971 20 0 EHADLO Cc1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)c(C)c1 ZINC000264176469 1138434845 /nfs/dbraw/zinc/43/48/45/1138434845.db2.gz NCEQDPNTWPCRRS-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO CCCN(CC(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264186430 1138437260 /nfs/dbraw/zinc/43/72/60/1138437260.db2.gz AUVBRZZTMZDRAN-QGZVFWFLSA-N 1 2 347.503 3.980 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000264242271 1138452309 /nfs/dbraw/zinc/45/23/09/1138452309.db2.gz ZNXKUVWGSOYOFL-SFHVURJKSA-N 1 2 325.456 3.946 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264246395 1138453315 /nfs/dbraw/zinc/45/33/15/1138453315.db2.gz OACXLTVCXZEILR-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(Br)o2)c1C ZINC000130684954 1138469197 /nfs/dbraw/zinc/46/91/97/1138469197.db2.gz GKKHGSBSLWANTD-UHFFFAOYSA-N 1 2 326.238 3.507 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(Br)o2)c1C ZINC000130684954 1138469200 /nfs/dbraw/zinc/46/92/00/1138469200.db2.gz GKKHGSBSLWANTD-UHFFFAOYSA-N 1 2 326.238 3.507 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000337127715 1138473140 /nfs/dbraw/zinc/47/31/40/1138473140.db2.gz HJTGLHXOASXAEM-UHFFFAOYSA-N 1 2 333.435 3.922 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337127715 1138473142 /nfs/dbraw/zinc/47/31/42/1138473142.db2.gz HJTGLHXOASXAEM-UHFFFAOYSA-N 1 2 333.435 3.922 20 0 EHADLO C[C@H](c1cccc(NC(=O)Nc2ccccc2F)c1)[NH+]1CCOCC1 ZINC000264321305 1138475315 /nfs/dbraw/zinc/47/53/15/1138475315.db2.gz PMXKRMGVTXAUAD-CQSZACIVSA-N 1 2 343.402 3.863 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000337173071 1138485539 /nfs/dbraw/zinc/48/55/39/1138485539.db2.gz FZQMAILPTXHQMM-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000337241027 1138505263 /nfs/dbraw/zinc/50/52/63/1138505263.db2.gz FJGFAWGLDOCHMO-INIZCTEOSA-N 1 2 346.862 3.988 20 0 EHADLO Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337242760 1138505812 /nfs/dbraw/zinc/50/58/12/1138505812.db2.gz HGPZSKAKYDOCLW-UHFFFAOYSA-N 1 2 348.805 3.671 20 0 EHADLO Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000337261827 1138512351 /nfs/dbraw/zinc/51/23/51/1138512351.db2.gz XTRYPKHQWVFFCT-UHFFFAOYSA-N 1 2 342.830 3.839 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000337488518 1138584162 /nfs/dbraw/zinc/58/41/62/1138584162.db2.gz KNXYXBRVLPJORW-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000337536570 1138598556 /nfs/dbraw/zinc/59/85/56/1138598556.db2.gz GUMJFGPTEMYOBM-QGZVFWFLSA-N 1 2 332.469 3.596 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000337536570 1138598557 /nfs/dbraw/zinc/59/85/57/1138598557.db2.gz GUMJFGPTEMYOBM-QGZVFWFLSA-N 1 2 332.469 3.596 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)ccc1OC ZINC000337561870 1138606225 /nfs/dbraw/zinc/60/62/25/1138606225.db2.gz VVSIVXJEBGHSSP-CQSZACIVSA-N 1 2 336.867 3.936 20 0 EHADLO O=C(Nc1ccc2scnc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000337571378 1138609261 /nfs/dbraw/zinc/60/92/61/1138609261.db2.gz BUWVINUFMUWBKX-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3CCC([C@@H](C)O)CC3)cs2)cc1 ZINC000264703619 1138611505 /nfs/dbraw/zinc/61/15/05/1138611505.db2.gz IUURPRYCCNQVOF-OAHLLOKOSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1Cl ZINC000337580930 1138612184 /nfs/dbraw/zinc/61/21/84/1138612184.db2.gz IPOBVKREJICOPV-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000337622285 1138624273 /nfs/dbraw/zinc/62/42/73/1138624273.db2.gz RVGHRUIZUNRUHS-MRXNPFEDSA-N 1 2 335.407 3.943 20 0 EHADLO CC(C)COc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264760764 1138630149 /nfs/dbraw/zinc/63/01/49/1138630149.db2.gz UEGZJTPWLQHOBR-OAHLLOKOSA-N 1 2 342.443 3.856 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000264825078 1138650484 /nfs/dbraw/zinc/65/04/84/1138650484.db2.gz VWCIEQQSSBRCMJ-SFHVURJKSA-N 1 2 325.412 3.841 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCSCC1 ZINC000264861147 1138659759 /nfs/dbraw/zinc/65/97/59/1138659759.db2.gz QOUJYFCXIKCNIE-UHFFFAOYSA-N 1 2 341.480 3.968 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2Nc1nc(C)[nH+]c2c1CCCC2 ZINC000337813969 1138674370 /nfs/dbraw/zinc/67/43/70/1138674370.db2.gz NRTHQTUCWVYHMC-QGZVFWFLSA-N 1 2 327.403 3.911 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000337911995 1138696901 /nfs/dbraw/zinc/69/69/01/1138696901.db2.gz JXOADRMNILSRKM-LBPRGKRZSA-N 1 2 334.210 3.770 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000337936438 1138701698 /nfs/dbraw/zinc/70/16/98/1138701698.db2.gz BUVQGQVLDNMMCV-GXFFZTMASA-N 1 2 334.210 3.638 20 0 EHADLO CC(C)([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)NCC1CCCC1 ZINC000136032131 1138781882 /nfs/dbraw/zinc/78/18/82/1138781882.db2.gz IRTPWYQOVNUSQN-UHFFFAOYSA-N 1 2 341.455 3.516 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccccc1Oc1ccncc1 ZINC000338196159 1138783494 /nfs/dbraw/zinc/78/34/94/1138783494.db2.gz MTLFNJQUHMYFBQ-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)ccc1F ZINC000338227348 1138794046 /nfs/dbraw/zinc/79/40/46/1138794046.db2.gz SLOYDYKURVJASS-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000338394033 1138885356 /nfs/dbraw/zinc/88/53/56/1138885356.db2.gz IGULKOKFIKZYHM-UHFFFAOYSA-N 1 2 346.793 3.634 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000338417722 1138905139 /nfs/dbraw/zinc/90/51/39/1138905139.db2.gz DYZURWZQMYNLOE-UHFFFAOYSA-N 1 2 344.422 3.682 20 0 EHADLO COCCCn1nccc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000338434828 1138912930 /nfs/dbraw/zinc/91/29/30/1138912930.db2.gz GMBDYHRKSHYKPF-ZDUSSCGKSA-N 1 2 336.505 3.524 20 0 EHADLO CN(CCCF)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000888029766 1139049488 /nfs/dbraw/zinc/04/94/88/1139049488.db2.gz KMVPHMGUKFEJKT-UHFFFAOYSA-N 1 2 330.407 3.710 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000151715103 1139053489 /nfs/dbraw/zinc/05/34/89/1139053489.db2.gz WBEFEXHDJPBILY-IFXJQAMLSA-N 1 2 344.430 3.628 20 0 EHADLO Cc1cccc2c1C[N@H+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000429566939 1139189396 /nfs/dbraw/zinc/18/93/96/1139189396.db2.gz KZIDDCZMGJXRKG-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000429566939 1139189398 /nfs/dbraw/zinc/18/93/98/1139189398.db2.gz KZIDDCZMGJXRKG-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1ccoc1CN(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889546090 1139228813 /nfs/dbraw/zinc/22/88/13/1139228813.db2.gz UJWMXCMEFYRKOG-WKILWMFISA-N 1 2 342.443 3.548 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000890400439 1139354884 /nfs/dbraw/zinc/35/48/84/1139354884.db2.gz LQQDDXFYNFRCBR-QZTJIDSGSA-N 1 2 340.471 3.566 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cn(-c3ccccc3)nc2C)o1 ZINC000174480446 1139422979 /nfs/dbraw/zinc/42/29/79/1139422979.db2.gz KWIVFLBTIYLDAI-LJQANCHMSA-N 1 2 339.439 3.813 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C)c1 ZINC000174912816 1139450143 /nfs/dbraw/zinc/45/01/43/1139450143.db2.gz VODHREDPDVAFII-UHFFFAOYSA-N 1 2 337.467 3.769 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175266653 1139477780 /nfs/dbraw/zinc/47/77/80/1139477780.db2.gz UJUSKICIRHTKRU-CHWSQXEVSA-N 1 2 333.457 3.528 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C)CCC2)C[C@@H](C)O1 ZINC000176883239 1139584145 /nfs/dbraw/zinc/58/41/45/1139584145.db2.gz PIAJDSXXRYXOIZ-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)nc2ccccc21 ZINC000176910888 1139586837 /nfs/dbraw/zinc/58/68/37/1139586837.db2.gz FTGBITHXIDRPCJ-CQSZACIVSA-N 1 2 339.464 3.872 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)nc2ccccc21 ZINC000176910888 1139586844 /nfs/dbraw/zinc/58/68/44/1139586844.db2.gz FTGBITHXIDRPCJ-CQSZACIVSA-N 1 2 339.464 3.872 20 0 EHADLO Cc1ccc2[nH+]cc(CN[C@H](C)c3nc(C4CCCCC4)no3)n2c1 ZINC000178916480 1139724338 /nfs/dbraw/zinc/72/43/38/1139724338.db2.gz HTQZEMCXWQCYRB-CQSZACIVSA-N 1 2 339.443 3.924 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000179940278 1139794509 /nfs/dbraw/zinc/79/45/09/1139794509.db2.gz CYCXPFWBJBSJEY-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000179940278 1139794514 /nfs/dbraw/zinc/79/45/14/1139794514.db2.gz CYCXPFWBJBSJEY-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)ccc1OC ZINC000180032419 1139802969 /nfs/dbraw/zinc/80/29/69/1139802969.db2.gz UFFPUTHBPDTVMD-LJQANCHMSA-N 1 2 347.480 3.867 20 0 EHADLO CCOCc1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)ccc1OC ZINC000180032419 1139802977 /nfs/dbraw/zinc/80/29/77/1139802977.db2.gz UFFPUTHBPDTVMD-LJQANCHMSA-N 1 2 347.480 3.867 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000180261459 1139821952 /nfs/dbraw/zinc/82/19/52/1139821952.db2.gz WSQQCWXHFVBFMY-KRWDZBQOSA-N 1 2 335.835 3.891 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180268340 1139823537 /nfs/dbraw/zinc/82/35/37/1139823537.db2.gz RXYYZHSFHOSFIW-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180268340 1139823542 /nfs/dbraw/zinc/82/35/42/1139823542.db2.gz RXYYZHSFHOSFIW-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO CC(C)c1noc(-c2ccnc(NCCCNc3cccc[nH+]3)c2)n1 ZINC000180408254 1139831561 /nfs/dbraw/zinc/83/15/61/1139831561.db2.gz JDMXLLNFQZXYDY-UHFFFAOYSA-N 1 2 338.415 3.564 20 0 EHADLO Cc1cc([NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000180428870 1139834441 /nfs/dbraw/zinc/83/44/41/1139834441.db2.gz LQYFZHFEJDMPPS-HOJAQTOUSA-N 1 2 342.483 3.591 20 0 EHADLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000180949446 1139874033 /nfs/dbraw/zinc/87/40/33/1139874033.db2.gz FGUCHBJIIQGVEQ-NSHDSACASA-N 1 2 343.349 3.985 20 0 EHADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181088320 1139884520 /nfs/dbraw/zinc/88/45/20/1139884520.db2.gz PXHXSGICMFTYBI-UHFFFAOYSA-N 1 2 344.434 3.530 20 0 EHADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181088320 1139884528 /nfs/dbraw/zinc/88/45/28/1139884528.db2.gz PXHXSGICMFTYBI-UHFFFAOYSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000181187004 1139890673 /nfs/dbraw/zinc/89/06/73/1139890673.db2.gz DBBIYOBGMPOTME-SNVBAGLBSA-N 1 2 338.333 3.773 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000181187004 1139890681 /nfs/dbraw/zinc/89/06/81/1139890681.db2.gz DBBIYOBGMPOTME-SNVBAGLBSA-N 1 2 338.333 3.773 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1Cl ZINC000181397867 1139904630 /nfs/dbraw/zinc/90/46/30/1139904630.db2.gz BJSVDFJXZBPHKZ-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1Cl ZINC000181397867 1139904634 /nfs/dbraw/zinc/90/46/34/1139904634.db2.gz BJSVDFJXZBPHKZ-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1c(F)cccc1Cl ZINC000181745799 1139928357 /nfs/dbraw/zinc/92/83/57/1139928357.db2.gz KWYGCEUXCGSNBZ-JTQLQIEISA-N 1 2 326.824 3.508 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000182192187 1139957050 /nfs/dbraw/zinc/95/70/50/1139957050.db2.gz VCCLZEQMVNJPDX-LBPRGKRZSA-N 1 2 343.379 3.980 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000182444101 1139972423 /nfs/dbraw/zinc/97/24/23/1139972423.db2.gz UCYLUAQTHCIQOR-ZIAGYGMSSA-N 1 2 338.411 3.690 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C(F)F)cc1)C[C@@H]2O ZINC000183926018 1140066087 /nfs/dbraw/zinc/06/60/87/1140066087.db2.gz OLZSHRBUZUDBIE-HNNXBMFYSA-N 1 2 349.377 3.691 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@@H]2O ZINC000183926018 1140066091 /nfs/dbraw/zinc/06/60/91/1140066091.db2.gz OLZSHRBUZUDBIE-HNNXBMFYSA-N 1 2 349.377 3.691 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000183973072 1140070889 /nfs/dbraw/zinc/07/08/89/1140070889.db2.gz QJZPUTIRVDWIRR-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1F ZINC000184196740 1140086993 /nfs/dbraw/zinc/08/69/93/1140086993.db2.gz UZTVPMPAGSSIER-KRWDZBQOSA-N 1 2 349.402 3.709 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000184208789 1140087382 /nfs/dbraw/zinc/08/73/82/1140087382.db2.gz DMYXXEJJPHMVLC-QGZVFWFLSA-N 1 2 349.402 3.789 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](C)[C@H](C)c3cc(F)ccc3F)on2)cnn1C ZINC000184453874 1140103546 /nfs/dbraw/zinc/10/35/46/1140103546.db2.gz XODCCZZIFXKZCZ-LLVKDONJSA-N 1 2 346.381 3.855 20 0 EHADLO Cc1c(-c2cc(C[N@H+](C)[C@H](C)c3cc(F)ccc3F)on2)cnn1C ZINC000184453874 1140103549 /nfs/dbraw/zinc/10/35/49/1140103549.db2.gz XODCCZZIFXKZCZ-LLVKDONJSA-N 1 2 346.381 3.855 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)o1 ZINC000184795195 1140120295 /nfs/dbraw/zinc/12/02/95/1140120295.db2.gz NOIFIVLKWNCZRB-KRWDZBQOSA-N 1 2 344.455 3.683 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886474 1140124031 /nfs/dbraw/zinc/12/40/31/1140124031.db2.gz XJHCTWVCWGNNBC-KFWWJZLASA-N 1 2 329.444 3.686 20 0 EHADLO Cn1cc(-c2cc(C[N@H+](Cc3ccc(F)cc3F)C3CC3)on2)cn1 ZINC000184984222 1140129063 /nfs/dbraw/zinc/12/90/63/1140129063.db2.gz DHWLVWGMVJZYTD-UHFFFAOYSA-N 1 2 344.365 3.518 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)on2)cn1 ZINC000184984222 1140129066 /nfs/dbraw/zinc/12/90/66/1140129066.db2.gz DHWLVWGMVJZYTD-UHFFFAOYSA-N 1 2 344.365 3.518 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000185227773 1140140545 /nfs/dbraw/zinc/14/05/45/1140140545.db2.gz GNLCNBRAIOHSAA-ZDUSSCGKSA-N 1 2 333.432 3.798 20 0 EHADLO Cc1cc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)on1 ZINC000185927293 1140178058 /nfs/dbraw/zinc/17/80/58/1140178058.db2.gz WWGUPHARFFBTEV-KRWDZBQOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)on1 ZINC000185927293 1140178062 /nfs/dbraw/zinc/17/80/62/1140178062.db2.gz WWGUPHARFFBTEV-KRWDZBQOSA-N 1 2 341.436 3.680 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185938631 1140178443 /nfs/dbraw/zinc/17/84/43/1140178443.db2.gz RUXYGBVZQHHOML-GXSJLCMTSA-N 1 2 349.422 3.650 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)s1 ZINC000189275280 1140332028 /nfs/dbraw/zinc/33/20/28/1140332028.db2.gz CATCSXNSEWEZMF-CYBMUJFWSA-N 1 2 330.432 3.686 20 0 EHADLO CC(C)([NH2+]Cc1nc(C2CC2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000191691170 1140479389 /nfs/dbraw/zinc/47/93/89/1140479389.db2.gz BSMJPNNDPQIDPH-UHFFFAOYSA-N 1 2 341.333 3.871 20 0 EHADLO CNC(=O)c1ccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)cc1 ZINC000192217762 1140511208 /nfs/dbraw/zinc/51/12/08/1140511208.db2.gz HJXFWVUZZYNGMH-OXJNMPFZSA-N 1 2 335.451 3.647 20 0 EHADLO CNC(=O)c1ccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)cc1 ZINC000192217762 1140511214 /nfs/dbraw/zinc/51/12/14/1140511214.db2.gz HJXFWVUZZYNGMH-OXJNMPFZSA-N 1 2 335.451 3.647 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1F ZINC000192253805 1140515641 /nfs/dbraw/zinc/51/56/41/1140515641.db2.gz ABVRKJNODVJZRI-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccc(C)cc1 ZINC000192257802 1140516275 /nfs/dbraw/zinc/51/62/75/1140516275.db2.gz NZXVBIVLPIHFFU-UHFFFAOYSA-N 1 2 345.512 3.785 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(F)cc1Cl ZINC000192258084 1140516971 /nfs/dbraw/zinc/51/69/71/1140516971.db2.gz CIIIBTBAUNSECQ-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO Cc1cccc(C(NC(=O)CCc2c[nH+]cn2C)c2cccc(C)c2)c1 ZINC000193477377 1140577239 /nfs/dbraw/zinc/57/72/39/1140577239.db2.gz MATIWTVCIRODSK-UHFFFAOYSA-N 1 2 347.462 3.875 20 0 EHADLO Cc1cc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000193741696 1140585457 /nfs/dbraw/zinc/58/54/57/1140585457.db2.gz KBTJLDBDAUUREG-UHFFFAOYSA-N 1 2 339.414 3.901 20 0 EHADLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000195165196 1140633378 /nfs/dbraw/zinc/63/33/78/1140633378.db2.gz MCTFYEKLNMQTPQ-UHFFFAOYSA-N 1 2 347.480 3.654 20 0 EHADLO C/C(=C\C(=O)NCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000195244908 1140635336 /nfs/dbraw/zinc/63/53/36/1140635336.db2.gz CVQRQGPYOWTCBC-ACCUITESSA-N 1 2 337.345 3.512 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266279123 1140662889 /nfs/dbraw/zinc/66/28/89/1140662889.db2.gz JXCGTERNHWAHOC-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266729893 1140719424 /nfs/dbraw/zinc/71/94/24/1140719424.db2.gz CRTCFZVOCBCFCC-INIZCTEOSA-N 1 2 340.471 3.547 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267776268 1140832551 /nfs/dbraw/zinc/83/25/51/1140832551.db2.gz LRWHJWRSVMOURD-OAHLLOKOSA-N 1 2 333.476 3.780 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)s1 ZINC000268219414 1140905356 /nfs/dbraw/zinc/90/53/56/1140905356.db2.gz QURYOEYDHPKLIX-UHFFFAOYSA-N 1 2 331.485 3.839 20 0 EHADLO C[C@@H]1CCN(c2nc(-c3cccc(Cl)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000268292900 1140915911 /nfs/dbraw/zinc/91/59/11/1140915911.db2.gz VGRHLOXTMYHANT-DOMZBBRYSA-N 1 2 343.818 3.674 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268342563 1140923061 /nfs/dbraw/zinc/92/30/61/1140923061.db2.gz ANSKJFGHEQKJRW-MAUKXSAKSA-N 1 2 345.874 3.969 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000268355131 1140926250 /nfs/dbraw/zinc/92/62/50/1140926250.db2.gz FNVIRNNGNZXUOC-AEFFLSMTSA-N 1 2 325.456 3.562 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1nccs1 ZINC000268779252 1140990317 /nfs/dbraw/zinc/99/03/17/1140990317.db2.gz IBBMSFNATXKJMO-NSHDSACASA-N 1 2 325.231 3.519 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1OCc1ccccc1 ZINC000268784768 1140991432 /nfs/dbraw/zinc/99/14/32/1140991432.db2.gz VIWRBXUQKSTBFK-INIZCTEOSA-N 1 2 348.450 3.654 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000268911871 1141023396 /nfs/dbraw/zinc/02/33/96/1141023396.db2.gz OIBHKOJRNMDTDO-JSGCOSHPSA-N 1 2 341.484 3.583 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1OCc1ccccc1 ZINC000268926293 1141027280 /nfs/dbraw/zinc/02/72/80/1141027280.db2.gz RRUAHJXYXNMJDN-CVEARBPZSA-N 1 2 336.439 3.806 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000268994570 1141041229 /nfs/dbraw/zinc/04/12/29/1141041229.db2.gz PZEPWXAZECXAIA-UHFFFAOYSA-N 1 2 338.455 3.824 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269033999 1141051814 /nfs/dbraw/zinc/05/18/14/1141051814.db2.gz UFJLMJBSVJZICD-SNVBAGLBSA-N 1 2 341.308 3.587 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000269059089 1141056742 /nfs/dbraw/zinc/05/67/42/1141056742.db2.gz AQDMHPQDNKMZOL-VOTSOKGWSA-N 1 2 338.238 3.752 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000269467131 1141111601 /nfs/dbraw/zinc/11/16/01/1141111601.db2.gz ZGHKTNITJFJVKT-CHWSQXEVSA-N 1 2 331.485 3.831 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000269665986 1141133123 /nfs/dbraw/zinc/13/31/23/1141133123.db2.gz JJCMYERLADRQQR-UHFFFAOYSA-N 1 2 340.471 3.508 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000269665986 1141133127 /nfs/dbraw/zinc/13/31/27/1141133127.db2.gz JJCMYERLADRQQR-UHFFFAOYSA-N 1 2 340.471 3.508 20 0 EHADLO CCC(CC)n1ncc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C ZINC000270187275 1141189373 /nfs/dbraw/zinc/18/93/73/1141189373.db2.gz KIJAYTSMWJHTQU-UHFFFAOYSA-N 1 2 325.416 3.761 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(CC)s1 ZINC000271051477 1141300110 /nfs/dbraw/zinc/30/01/10/1141300110.db2.gz WIGZTEJMIIHDMW-UHFFFAOYSA-N 1 2 347.484 3.565 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(CC)s1 ZINC000271051477 1141300116 /nfs/dbraw/zinc/30/01/16/1141300116.db2.gz WIGZTEJMIIHDMW-UHFFFAOYSA-N 1 2 347.484 3.565 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cn1 ZINC000271281422 1141338015 /nfs/dbraw/zinc/33/80/15/1141338015.db2.gz CNHYNUITQLKVFE-CQSZACIVSA-N 1 2 336.414 3.746 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317886 1141344962 /nfs/dbraw/zinc/34/49/62/1141344962.db2.gz JFTBOMDCMWCQKY-GPMSIDNRSA-N 1 2 346.434 3.674 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)s1 ZINC000271525230 1141387578 /nfs/dbraw/zinc/38/75/78/1141387578.db2.gz VNSBWWSYBGVNMD-RNCFNFMXSA-N 1 2 326.412 3.676 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1OC(F)F ZINC000271562805 1141398790 /nfs/dbraw/zinc/39/87/90/1141398790.db2.gz XBNRWSHMNFXIHD-RNCFNFMXSA-N 1 2 325.334 3.878 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1OC(F)F ZINC000271562805 1141398797 /nfs/dbraw/zinc/39/87/97/1141398797.db2.gz XBNRWSHMNFXIHD-RNCFNFMXSA-N 1 2 325.334 3.878 20 0 EHADLO CSc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1C ZINC000271683129 1141418067 /nfs/dbraw/zinc/41/80/67/1141418067.db2.gz ITKWKHBXWKXRTA-UHFFFAOYSA-N 1 2 330.457 3.736 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099668 1141474662 /nfs/dbraw/zinc/47/46/62/1141474662.db2.gz SSBMPJNJWKGAOZ-VBQJREDUSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099668 1141474666 /nfs/dbraw/zinc/47/46/66/1141474666.db2.gz SSBMPJNJWKGAOZ-VBQJREDUSA-N 1 2 327.428 3.545 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cn[nH]c3)cs2)cc1 ZINC000274166565 1141481769 /nfs/dbraw/zinc/48/17/69/1141481769.db2.gz ZWFNUKYLXAOSLI-GFCCVEGCSA-N 1 2 328.441 3.783 20 0 EHADLO C[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000274278564 1141492683 /nfs/dbraw/zinc/49/26/83/1141492683.db2.gz COKLRLPFAGDTAN-RISCZKNCSA-N 1 2 325.243 3.668 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000274294560 1141494853 /nfs/dbraw/zinc/49/48/53/1141494853.db2.gz HVMYPYSTTKITSI-CWKPULSASA-N 1 2 343.279 3.977 20 0 EHADLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1OC(C)C ZINC000339119421 1141502309 /nfs/dbraw/zinc/50/23/09/1141502309.db2.gz RFYXHILPXNHSJR-UHFFFAOYSA-N 1 2 339.395 3.691 20 0 EHADLO Oc1cccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1Cl ZINC000339186620 1141521971 /nfs/dbraw/zinc/52/19/71/1141521971.db2.gz HHAMVNNDHXAIBV-UHFFFAOYSA-N 1 2 327.815 3.580 20 0 EHADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431806 1141527073 /nfs/dbraw/zinc/52/70/73/1141527073.db2.gz GZPRCNWYCKNNIZ-HOCLYGCPSA-N 1 2 340.475 3.583 20 0 EHADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431806 1141527078 /nfs/dbraw/zinc/52/70/78/1141527078.db2.gz GZPRCNWYCKNNIZ-HOCLYGCPSA-N 1 2 340.475 3.583 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000274484095 1141541753 /nfs/dbraw/zinc/54/17/53/1141541753.db2.gz NHTSVXSYPFRQSX-INIZCTEOSA-N 1 2 341.846 3.801 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000274484095 1141541757 /nfs/dbraw/zinc/54/17/57/1141541757.db2.gz NHTSVXSYPFRQSX-INIZCTEOSA-N 1 2 341.846 3.801 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348543478 1141549477 /nfs/dbraw/zinc/54/94/77/1141549477.db2.gz JPEROQWCEWHKFZ-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348543478 1141549480 /nfs/dbraw/zinc/54/94/80/1141549480.db2.gz JPEROQWCEWHKFZ-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348717726 1141570185 /nfs/dbraw/zinc/57/01/85/1141570185.db2.gz VAENPUQKWYPIIC-CRAIPNDOSA-N 1 2 328.460 3.841 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348717726 1141570188 /nfs/dbraw/zinc/57/01/88/1141570188.db2.gz VAENPUQKWYPIIC-CRAIPNDOSA-N 1 2 328.460 3.841 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348717729 1141570340 /nfs/dbraw/zinc/57/03/40/1141570340.db2.gz VAENPUQKWYPIIC-QAPCUYQASA-N 1 2 328.460 3.841 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348717729 1141570343 /nfs/dbraw/zinc/57/03/43/1141570343.db2.gz VAENPUQKWYPIIC-QAPCUYQASA-N 1 2 328.460 3.841 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1=CCCC1 ZINC000348782035 1141578627 /nfs/dbraw/zinc/57/86/27/1141578627.db2.gz OACZDETTXVYITF-INIZCTEOSA-N 1 2 336.838 3.670 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1=CCCC1 ZINC000348782035 1141578628 /nfs/dbraw/zinc/57/86/28/1141578628.db2.gz OACZDETTXVYITF-INIZCTEOSA-N 1 2 336.838 3.670 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348881761 1141603131 /nfs/dbraw/zinc/60/31/31/1141603131.db2.gz SCCGZDBDWAPWKN-OAQYLSRUSA-N 1 2 345.446 3.951 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccsc2Cl)nc1C1CC1 ZINC000349142938 1141644500 /nfs/dbraw/zinc/64/45/00/1141644500.db2.gz ARAOFGLPWLZYLY-UHFFFAOYSA-N 1 2 336.844 3.750 20 0 EHADLO O=C(CCC1CCCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000034982138 213004175 /nfs/dbraw/zinc/00/41/75/213004175.db2.gz ZDWCTLDWFIRQQW-WDZFZDKYSA-N 1 2 326.484 3.814 20 0 EHADLO O=C(CCc1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289714 212289230 /nfs/dbraw/zinc/28/92/30/212289230.db2.gz MMRNAXWGUUNGMB-UHFFFAOYSA-N 1 2 335.498 3.762 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000019658789 212054399 /nfs/dbraw/zinc/05/43/99/212054399.db2.gz GIUGFHQJQKHULP-UHFFFAOYSA-N 1 2 325.387 3.745 20 0 EHADLO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1nccs1 ZINC000041012810 518218689 /nfs/dbraw/zinc/21/86/89/518218689.db2.gz MBLRBSJHDFWDMF-LBPRGKRZSA-N 1 2 339.258 3.909 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc(C(F)F)c1 ZINC000363379809 526451158 /nfs/dbraw/zinc/45/11/58/526451158.db2.gz XMAUSHVHHCZSPI-UHFFFAOYSA-N 1 2 334.370 3.521 20 0 EHADLO CC(C)c1csc([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)n1 ZINC000328594352 563984307 /nfs/dbraw/zinc/98/43/07/563984307.db2.gz FHUBNNQEADSUER-CYBMUJFWSA-N 1 2 346.500 3.673 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789124 600285312 /nfs/dbraw/zinc/28/53/12/600285312.db2.gz KBRBLCYGEFQHNE-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789124 600285314 /nfs/dbraw/zinc/28/53/14/600285314.db2.gz KBRBLCYGEFQHNE-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789124 600285317 /nfs/dbraw/zinc/28/53/17/600285317.db2.gz KBRBLCYGEFQHNE-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789124 600285319 /nfs/dbraw/zinc/28/53/19/600285319.db2.gz KBRBLCYGEFQHNE-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1Cc2ccccc2[C@H]1C ZINC000822337344 606137411 /nfs/dbraw/zinc/13/74/11/606137411.db2.gz XJQWSTWIGSISQJ-CYBMUJFWSA-N 1 2 342.406 3.805 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826268767 609160506 /nfs/dbraw/zinc/16/05/06/609160506.db2.gz MOVLZJTYXZJKRA-IBGZPJMESA-N 1 2 348.454 3.731 20 0 EHADLO C[C@@H](Cc1nc(-c2cccnc2Oc2ccccc2)no1)n1cc[nH+]c1 ZINC000904453588 1032058566 /nfs/dbraw/zinc/05/85/66/1032058566.db2.gz FBSBVCDRXINQLI-AWEZNQCLSA-N 1 2 347.378 3.924 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000182452191 1032059732 /nfs/dbraw/zinc/05/97/32/1032059732.db2.gz YWIVGUJDMVVZKM-GFCCVEGCSA-N 1 2 341.908 3.538 20 0 EHADLO O=C([O-])c1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001595230398 949338165 /nfs/dbraw/zinc/33/81/65/949338165.db2.gz GLJGADKWDMJOEU-UHFFFAOYSA-N 1 2 341.798 3.514 20 0 EHADLO CC[C@H](Nc1cc(N(C)C)[nH+]cn1)c1nc(C(F)(F)F)cs1 ZINC000892760619 1017354961 /nfs/dbraw/zinc/35/49/61/1017354961.db2.gz YEQBFYPBBVQVAC-QMMMGPOBSA-N 1 2 331.367 3.581 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(F)nc1C ZINC000278710075 1032088555 /nfs/dbraw/zinc/08/85/55/1032088555.db2.gz JFCIJMSEHKEORG-UHFFFAOYSA-N 1 2 342.418 3.918 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1nc(C(F)(F)F)cs1 ZINC000274597996 1014295116 /nfs/dbraw/zinc/29/51/16/1014295116.db2.gz KWLZAQYWIQBQDS-SECBINFHSA-N 1 2 344.358 3.784 20 0 EHADLO Cc1cn2cc(NC(=O)CCSc3ccc(F)cc3)ccc2[nH+]1 ZINC000339390873 1014324732 /nfs/dbraw/zinc/32/47/32/1014324732.db2.gz IGAPMZDYUONBMZ-UHFFFAOYSA-N 1 2 329.400 3.903 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339404607 1014361225 /nfs/dbraw/zinc/36/12/25/1014361225.db2.gz OZNCCAMXUISGNJ-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO Brc1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000274670241 1014512158 /nfs/dbraw/zinc/51/21/58/1014512158.db2.gz LEFHPWLGAZWSJK-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000536680660 1032094867 /nfs/dbraw/zinc/09/48/67/1032094867.db2.gz YYAAJSHCIWNUOY-KRWDZBQOSA-N 1 2 329.465 3.685 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000536680660 1032094853 /nfs/dbraw/zinc/09/48/53/1032094853.db2.gz YYAAJSHCIWNUOY-KRWDZBQOSA-N 1 2 329.465 3.685 20 0 EHADLO Cc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1C ZINC000904498211 1032095688 /nfs/dbraw/zinc/09/56/88/1032095688.db2.gz XULXLGCSINEGMU-UHFFFAOYSA-N 1 2 349.434 3.853 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1c(Cl)cccc1Cl ZINC000654924413 1014605510 /nfs/dbraw/zinc/60/55/10/1014605510.db2.gz WCEXEBSYOPQNQO-UHFFFAOYSA-N 1 2 340.254 3.671 20 0 EHADLO Cc1ccsc1CN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044910092 1014606021 /nfs/dbraw/zinc/60/60/21/1014606021.db2.gz AYNWGHMNDCXOGY-UHFFFAOYSA-N 1 2 325.437 3.574 20 0 EHADLO Cn1c[nH+]cc1CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000584302510 1032098782 /nfs/dbraw/zinc/09/87/82/1032098782.db2.gz FTTXQKBFTCISID-UHFFFAOYSA-N 1 2 333.848 3.584 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000547650904 1014681404 /nfs/dbraw/zinc/68/14/04/1014681404.db2.gz PFOTTXJHDJOHGJ-UHFFFAOYSA-N 1 2 343.814 3.504 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000339523072 1014688836 /nfs/dbraw/zinc/68/88/36/1014688836.db2.gz DSLCPGPONFZHHD-SNVBAGLBSA-N 1 2 339.226 3.748 20 0 EHADLO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]Cc1csnn1 ZINC000430191275 1014722988 /nfs/dbraw/zinc/72/29/88/1014722988.db2.gz FUQFBIWIFQMNFR-ZDUSSCGKSA-N 1 2 338.274 3.714 20 0 EHADLO CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339548714 1014806809 /nfs/dbraw/zinc/80/68/09/1014806809.db2.gz MCFBCDAAJYFTJS-XJKSGUPXSA-N 1 2 333.819 3.669 20 0 EHADLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000154023804 1014876462 /nfs/dbraw/zinc/87/64/62/1014876462.db2.gz PYMKTDMJSCQSME-UHFFFAOYSA-N 1 2 344.889 3.572 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCC[C@H]3C3CCC3)c2=S)c(C)c1 ZINC000728198707 1014948600 /nfs/dbraw/zinc/94/86/00/1014948600.db2.gz DDIWMQDDCUBELI-KRWDZBQOSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCC[C@H]3C3CCC3)c2=S)c(C)c1 ZINC000728198707 1014948611 /nfs/dbraw/zinc/94/86/11/1014948611.db2.gz DDIWMQDDCUBELI-KRWDZBQOSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C2CC2)c(C)c1 ZINC000579821199 1014984362 /nfs/dbraw/zinc/98/43/62/1014984362.db2.gz ZCRAGXIFGYDLAV-VQIMIIECSA-N 1 2 340.471 3.681 20 0 EHADLO CC[C@@H](C)C[N@H+](CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182533812 1032107409 /nfs/dbraw/zinc/10/74/09/1032107409.db2.gz IUODVEUCLNBOPP-CYBMUJFWSA-N 1 2 346.500 3.967 20 0 EHADLO CC[C@@H](C)C[N@@H+](CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182533812 1032107416 /nfs/dbraw/zinc/10/74/16/1032107416.db2.gz IUODVEUCLNBOPP-CYBMUJFWSA-N 1 2 346.500 3.967 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(Cl)cn1 ZINC000274794958 1015170117 /nfs/dbraw/zinc/17/01/17/1015170117.db2.gz SSBVPNSSDGXKGM-MCIONIFRSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000655165044 1015190286 /nfs/dbraw/zinc/19/02/86/1015190286.db2.gz WQIFSEUMLXBGRY-IFXJQAMLSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000655165044 1015190294 /nfs/dbraw/zinc/19/02/94/1015190294.db2.gz WQIFSEUMLXBGRY-IFXJQAMLSA-N 1 2 345.874 3.866 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579851258 1015248588 /nfs/dbraw/zinc/24/85/88/1015248588.db2.gz LZVAKHOKECVYBB-CRAIPNDOSA-N 1 2 343.471 3.891 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579851258 1015248604 /nfs/dbraw/zinc/24/86/04/1015248604.db2.gz LZVAKHOKECVYBB-CRAIPNDOSA-N 1 2 343.471 3.891 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc3ccccc32)on1 ZINC000047273874 1015475804 /nfs/dbraw/zinc/47/58/04/1015475804.db2.gz DCEWBRMGNGSDPT-SFHVURJKSA-N 1 2 335.407 3.912 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc3ccccc32)on1 ZINC000047273874 1015475809 /nfs/dbraw/zinc/47/58/09/1015475809.db2.gz DCEWBRMGNGSDPT-SFHVURJKSA-N 1 2 335.407 3.912 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000066701013 1015521868 /nfs/dbraw/zinc/52/18/68/1015521868.db2.gz WMPVBMPYHSWQCO-KRWDZBQOSA-N 1 2 340.471 3.674 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC001266318605 1015523408 /nfs/dbraw/zinc/52/34/08/1015523408.db2.gz WYTVRNKUIXDOLV-GQYNGNJWSA-N 1 2 341.499 3.795 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266433 1015553329 /nfs/dbraw/zinc/55/33/29/1015553329.db2.gz YABZZNRBLKSMHM-OCCSQVGLSA-N 1 2 340.423 3.860 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266433 1015553336 /nfs/dbraw/zinc/55/33/36/1015553336.db2.gz YABZZNRBLKSMHM-OCCSQVGLSA-N 1 2 340.423 3.860 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2ccsc2[nH]1 ZINC000683257511 1015553772 /nfs/dbraw/zinc/55/37/72/1015553772.db2.gz XAMCPGDMNLGQLK-UHFFFAOYSA-N 1 2 330.457 3.541 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(Cc3ccccc3F)o2)c1 ZINC000339743831 1015645533 /nfs/dbraw/zinc/64/55/33/1015645533.db2.gz WNZMADRNVGXOBD-UHFFFAOYSA-N 1 2 345.399 3.804 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(C)n2Cc2ccccc2)c1 ZINC000339744055 1015645722 /nfs/dbraw/zinc/64/57/22/1015645722.db2.gz BIWPMYAVXKBMFP-UHFFFAOYSA-N 1 2 340.452 3.639 20 0 EHADLO C[N@H+](CCCO)Cc1sc(Sc2ccccc2)nc1Cl ZINC000799740059 1015647540 /nfs/dbraw/zinc/64/75/40/1015647540.db2.gz TZCGENTVQSDSSY-UHFFFAOYSA-N 1 2 328.890 3.762 20 0 EHADLO C[N@@H+](CCCO)Cc1sc(Sc2ccccc2)nc1Cl ZINC000799740059 1015647548 /nfs/dbraw/zinc/64/75/48/1015647548.db2.gz TZCGENTVQSDSSY-UHFFFAOYSA-N 1 2 328.890 3.762 20 0 EHADLO COc1cc(C)ccc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000449048099 1032122479 /nfs/dbraw/zinc/12/24/79/1032122479.db2.gz DOTOCOCPMGQCKM-UHFFFAOYSA-N 1 2 337.423 3.891 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339783096 1015669690 /nfs/dbraw/zinc/66/96/90/1015669690.db2.gz BWFYXKGLRHKDEK-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000339783096 1015669694 /nfs/dbraw/zinc/66/96/94/1015669694.db2.gz BWFYXKGLRHKDEK-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Fc1cccc2c1CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC000339784023 1015668857 /nfs/dbraw/zinc/66/88/57/1015668857.db2.gz FUSYKIGKMMEIPW-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO Fc1cccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC000339784023 1015668863 /nfs/dbraw/zinc/66/88/63/1015668863.db2.gz FUSYKIGKMMEIPW-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1OC ZINC001625821304 1015681372 /nfs/dbraw/zinc/68/13/72/1015681372.db2.gz MBEFPOYGYBOTMF-UHFFFAOYSA-N 1 2 349.434 3.536 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339789407 1015682979 /nfs/dbraw/zinc/68/29/79/1015682979.db2.gz YYTQJQVYCBYCDE-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(F)cccc2C1 ZINC000339789407 1015682984 /nfs/dbraw/zinc/68/29/84/1015682984.db2.gz YYTQJQVYCBYCDE-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826259 1015712456 /nfs/dbraw/zinc/71/24/56/1015712456.db2.gz CEHFHRNEJMLVLI-VXGBXAGGSA-N 1 2 344.352 3.586 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826259 1015712462 /nfs/dbraw/zinc/71/24/62/1015712462.db2.gz CEHFHRNEJMLVLI-VXGBXAGGSA-N 1 2 344.352 3.586 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000246114343 1015788158 /nfs/dbraw/zinc/78/81/58/1015788158.db2.gz KHHKUKKXMKQILA-QLFBSQMISA-N 1 2 339.505 3.663 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000246114343 1015788163 /nfs/dbraw/zinc/78/81/63/1015788163.db2.gz KHHKUKKXMKQILA-QLFBSQMISA-N 1 2 339.505 3.663 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060059738 1015793213 /nfs/dbraw/zinc/79/32/13/1015793213.db2.gz YOCLPYYMQHTSCV-HNNXBMFYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060059738 1015793217 /nfs/dbraw/zinc/79/32/17/1015793217.db2.gz YOCLPYYMQHTSCV-HNNXBMFYSA-N 1 2 334.341 3.707 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528335897 1032128944 /nfs/dbraw/zinc/12/89/44/1032128944.db2.gz FIIZXZCBEHCKMI-AWEZNQCLSA-N 1 2 326.893 3.767 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528335897 1032128928 /nfs/dbraw/zinc/12/89/28/1032128928.db2.gz FIIZXZCBEHCKMI-AWEZNQCLSA-N 1 2 326.893 3.767 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258214 994540021 /nfs/dbraw/zinc/54/00/21/994540021.db2.gz XSZGOVKEOLIJEI-WBVHZDCISA-N 1 2 342.439 3.541 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258214 994540028 /nfs/dbraw/zinc/54/00/28/994540028.db2.gz XSZGOVKEOLIJEI-WBVHZDCISA-N 1 2 342.439 3.541 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000180483812 1015956540 /nfs/dbraw/zinc/95/65/40/1015956540.db2.gz PDCNXBONMGTJOV-CQSZACIVSA-N 1 2 339.361 3.969 20 0 EHADLO CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCCC1 ZINC000180538203 1015971791 /nfs/dbraw/zinc/97/17/91/1015971791.db2.gz UTWONAJQBULGFW-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000183120761 1032134289 /nfs/dbraw/zinc/13/42/89/1032134289.db2.gz AZZOFPOLQFRYHT-QGZVFWFLSA-N 1 2 333.435 3.676 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)cc(F)c2Br)cc[nH+]1 ZINC000339933242 1015986777 /nfs/dbraw/zinc/98/67/77/1015986777.db2.gz BTTOFARBINMMGB-UHFFFAOYSA-N 1 2 343.583 3.619 20 0 EHADLO COc1cccc(C2([NH2+]Cc3cccc(O)c3Br)CC2)c1 ZINC000459448452 1032135359 /nfs/dbraw/zinc/13/53/59/1032135359.db2.gz VVXYHBAXRMABSX-UHFFFAOYSA-N 1 2 348.240 3.942 20 0 EHADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N(C)[C@@H](C)c1ccccc1OC ZINC001167108491 1016050255 /nfs/dbraw/zinc/05/02/55/1016050255.db2.gz FCOPHJAZJRQAPG-NKSUMMKUSA-N 1 2 340.423 3.782 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000275135536 1016086528 /nfs/dbraw/zinc/08/65/28/1016086528.db2.gz ZNEZDESPTCOEAV-GHMZBOCLSA-N 1 2 341.242 3.639 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3[C@H](C)C[C@@H]3C)cs2)c1 ZINC000547769202 1016092127 /nfs/dbraw/zinc/09/21/27/1016092127.db2.gz JYTWMQZEELRFMM-GASCZTMLSA-N 1 2 343.496 3.924 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3[C@H](C)C[C@@H]3C)cs2)c1 ZINC000547769202 1016092137 /nfs/dbraw/zinc/09/21/37/1016092137.db2.gz JYTWMQZEELRFMM-GASCZTMLSA-N 1 2 343.496 3.924 20 0 EHADLO Cc1cc(F)c(CNc2cccc(CN3CCOCC3)[nH+]2)c(Cl)c1 ZINC000459451642 1032142190 /nfs/dbraw/zinc/14/21/90/1032142190.db2.gz LKDPPHBSGIVMKD-UHFFFAOYSA-N 1 2 349.837 3.627 20 0 EHADLO Clc1cc2c(Cl)ccnc2c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167126530 1016210911 /nfs/dbraw/zinc/21/09/11/1016210911.db2.gz ZINXWELHCXQDTB-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449085989 1032146073 /nfs/dbraw/zinc/14/60/73/1032146073.db2.gz AXPKPZWYPDYQPN-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO CC(C)(C)c1ccc(N2CCO[C@H](COc3ccccc3)C2)[nH+]c1 ZINC001167157302 1016392871 /nfs/dbraw/zinc/39/28/71/1016392871.db2.gz SRLMOKNCVBNZKX-SFHVURJKSA-N 1 2 326.440 3.663 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCCC1CCCC1 ZINC000155284615 1016415626 /nfs/dbraw/zinc/41/56/26/1016415626.db2.gz NUFWCNJZJGMMRH-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO Cc1cc(Cl)ncc1C[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001209627897 1016444456 /nfs/dbraw/zinc/44/44/56/1016444456.db2.gz KBAUSQQHBDTBIT-ZDUSSCGKSA-N 1 2 326.824 3.569 20 0 EHADLO Cc1cc(Cl)ncc1C[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001209627897 1016444464 /nfs/dbraw/zinc/44/44/64/1016444464.db2.gz KBAUSQQHBDTBIT-ZDUSSCGKSA-N 1 2 326.824 3.569 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000613560099 1016540872 /nfs/dbraw/zinc/54/08/72/1016540872.db2.gz LDYBYZYIENGWOW-QZTJIDSGSA-N 1 2 337.467 3.585 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)NCCC1CCCCC1)CC2 ZINC001167205385 1016582437 /nfs/dbraw/zinc/58/24/37/1016582437.db2.gz DDTSUCNCWULXDA-UHFFFAOYSA-N 1 2 344.499 3.530 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](CC(=O)NCCC1CCCCC1)CC2 ZINC001167205385 1016582452 /nfs/dbraw/zinc/58/24/52/1016582452.db2.gz DDTSUCNCWULXDA-UHFFFAOYSA-N 1 2 344.499 3.530 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000042123855 1016641984 /nfs/dbraw/zinc/64/19/84/1016641984.db2.gz JJCWIZFWXNMMTO-UHFFFAOYSA-N 1 2 330.359 3.722 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000042123855 1016641996 /nfs/dbraw/zinc/64/19/96/1016641996.db2.gz JJCWIZFWXNMMTO-UHFFFAOYSA-N 1 2 330.359 3.722 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000376593318 1016709459 /nfs/dbraw/zinc/70/94/59/1016709459.db2.gz RSZCPSOBFUXLHG-DYVFJYSZSA-N 1 2 330.407 3.700 20 0 EHADLO Cc1ccccc1Sc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000178529881 1016715114 /nfs/dbraw/zinc/71/51/14/1016715114.db2.gz IFZWVTXWJZEKPR-UHFFFAOYSA-N 1 2 337.448 3.842 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000178725138 1016761741 /nfs/dbraw/zinc/76/17/41/1016761741.db2.gz OHIQZGZWHTVIKU-NSHDSACASA-N 1 2 329.425 3.657 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000178725138 1016761758 /nfs/dbraw/zinc/76/17/58/1016761758.db2.gz OHIQZGZWHTVIKU-NSHDSACASA-N 1 2 329.425 3.657 20 0 EHADLO c1csc([C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2nnc[nH]2)c1 ZINC000340237580 1016756184 /nfs/dbraw/zinc/75/61/84/1016756184.db2.gz QRUFHNIUOOYYEE-QGZVFWFLSA-N 1 2 337.452 3.659 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000275472849 1016860273 /nfs/dbraw/zinc/86/02/73/1016860273.db2.gz OHJVIRPBEWDZQO-UHFFFAOYSA-N 1 2 334.370 3.933 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793996 1016879498 /nfs/dbraw/zinc/87/94/98/1016879498.db2.gz PLMMHQNBILGXBC-JCURWCKSSA-N 1 2 335.407 3.552 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793996 1016879509 /nfs/dbraw/zinc/87/95/09/1016879509.db2.gz PLMMHQNBILGXBC-JCURWCKSSA-N 1 2 335.407 3.552 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000340334651 1016959766 /nfs/dbraw/zinc/95/97/66/1016959766.db2.gz NBWXSSYZSRBBRJ-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000340334651 1016959770 /nfs/dbraw/zinc/95/97/70/1016959770.db2.gz NBWXSSYZSRBBRJ-UHFFFAOYSA-N 1 2 332.469 3.578 20 0 EHADLO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)Cc1cccc(O)c1 ZINC000547829448 1016971912 /nfs/dbraw/zinc/97/19/12/1016971912.db2.gz GPEUYXNUUFJMEK-UHFFFAOYSA-N 1 2 346.228 3.663 20 0 EHADLO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)Cc1cccc(O)c1 ZINC000547829448 1016971925 /nfs/dbraw/zinc/97/19/25/1016971925.db2.gz GPEUYXNUUFJMEK-UHFFFAOYSA-N 1 2 346.228 3.663 20 0 EHADLO CC(C)O[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000431835384 1016988099 /nfs/dbraw/zinc/98/80/99/1016988099.db2.gz OVVFIVDQGUWJJR-IBGZPJMESA-N 1 2 335.407 3.977 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121251496 1016991007 /nfs/dbraw/zinc/99/10/07/1016991007.db2.gz KYLKXNNPYCBMMU-KRWDZBQOSA-N 1 2 343.471 3.977 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121251496 1016991015 /nfs/dbraw/zinc/99/10/15/1016991015.db2.gz KYLKXNNPYCBMMU-KRWDZBQOSA-N 1 2 343.471 3.977 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc2c(F)cccc2c1 ZINC000431837198 1017012944 /nfs/dbraw/zinc/01/29/44/1017012944.db2.gz VIKQUHNLZLTFJK-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Fc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000536697493 1032154928 /nfs/dbraw/zinc/15/49/28/1032154928.db2.gz WUBFKUFERMKVQU-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)cnn1C ZINC000183320428 1032193043 /nfs/dbraw/zinc/19/30/43/1032193043.db2.gz HTBWKKYVSPBHFS-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176831338 1032236678 /nfs/dbraw/zinc/23/66/78/1032236678.db2.gz WYPOCJPOQHFLPY-CYBMUJFWSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176831338 1032236695 /nfs/dbraw/zinc/23/66/95/1032236695.db2.gz WYPOCJPOQHFLPY-CYBMUJFWSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459533246 1032253229 /nfs/dbraw/zinc/25/32/29/1032253229.db2.gz SEGNHJCAGXMABN-SCZZXKLOSA-N 1 2 338.167 3.927 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(O)c1Br ZINC000459533246 1032253242 /nfs/dbraw/zinc/25/32/42/1032253242.db2.gz SEGNHJCAGXMABN-SCZZXKLOSA-N 1 2 338.167 3.927 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000459548812 1032265843 /nfs/dbraw/zinc/26/58/43/1032265843.db2.gz QXYXJGQANJMXIM-JQWIXIFHSA-N 1 2 339.760 3.780 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000459548812 1032265848 /nfs/dbraw/zinc/26/58/48/1032265848.db2.gz QXYXJGQANJMXIM-JQWIXIFHSA-N 1 2 339.760 3.780 20 0 EHADLO O=C(NCc1ccc(C(F)F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000184579836 1032298766 /nfs/dbraw/zinc/29/87/66/1032298766.db2.gz LNOCGGSNLYCPAS-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000568765755 1032299733 /nfs/dbraw/zinc/29/97/33/1032299733.db2.gz ZTJZFUSGZOEFPI-OLMNPRSZSA-N 1 2 335.407 3.593 20 0 EHADLO CCCOc1c(Cl)cc(C[NH+]2CC(C)(COC)C2)cc1OC ZINC000459617016 1032328760 /nfs/dbraw/zinc/32/87/60/1032328760.db2.gz BFWJXJMXBMCZKO-UHFFFAOYSA-N 1 2 327.852 3.606 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]CCOCC3CC3)c3ccccc3)n2)cc1 ZINC000475764280 1032331357 /nfs/dbraw/zinc/33/13/57/1032331357.db2.gz ZQOUIQYCZXMQKW-LJQANCHMSA-N 1 2 349.434 3.842 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000536843089 1032337253 /nfs/dbraw/zinc/33/72/53/1032337253.db2.gz CEKIIASQBVFKPA-CYBMUJFWSA-N 1 2 340.402 3.860 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC2=CCCCCC2)C1 ZINC000185270932 1032374426 /nfs/dbraw/zinc/37/44/26/1032374426.db2.gz WQUWCCIAQYKTNA-SFHVURJKSA-N 1 2 344.503 3.665 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000536872938 1032375272 /nfs/dbraw/zinc/37/52/72/1032375272.db2.gz XZNWXXIODQWYCU-MEBBXXQBSA-N 1 2 343.320 3.950 20 0 EHADLO C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1nc2c(s1)CCC2 ZINC000459655211 1032380196 /nfs/dbraw/zinc/38/01/96/1032380196.db2.gz UOMPUTXPXJDRCE-GXFFZTMASA-N 1 2 335.498 3.791 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000584397723 1032381492 /nfs/dbraw/zinc/38/14/92/1032381492.db2.gz RGQFKLWQZLGMJS-CGTJXYLNSA-N 1 2 326.444 3.627 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2ccnc3c(Br)cccc23)n1 ZINC000449280407 1032398573 /nfs/dbraw/zinc/39/85/73/1032398573.db2.gz XTFYHKDWHISLEG-VIFPVBQESA-N 1 2 347.216 3.540 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(C(F)F)ccc3F)[nH+]c12 ZINC001126656402 1032435585 /nfs/dbraw/zinc/43/55/85/1032435585.db2.gz YFPFYYYEIZUFFL-UHFFFAOYSA-N 1 2 347.340 3.692 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccccc1Br ZINC000135601125 1017284331 /nfs/dbraw/zinc/28/43/31/1017284331.db2.gz GEZBXRSCCGREHI-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccccc1Br ZINC000135601125 1017284338 /nfs/dbraw/zinc/28/43/38/1017284338.db2.gz GEZBXRSCCGREHI-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO O=C(/C=C/SCc1ccco1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000084977064 1032470415 /nfs/dbraw/zinc/47/04/15/1032470415.db2.gz DQHDIXRNXCXDIO-UXBLZVDNSA-N 1 2 339.420 3.529 20 0 EHADLO COc1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)ccc1OC(C)C ZINC000584420067 1032489427 /nfs/dbraw/zinc/48/94/27/1032489427.db2.gz XPDHXBKFKKVXKU-UHFFFAOYSA-N 1 2 339.395 3.691 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021258 1032487760 /nfs/dbraw/zinc/48/77/60/1032487760.db2.gz NMAOFLIJDZBEJI-HUUCEWRRSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021258 1032487762 /nfs/dbraw/zinc/48/77/62/1032487762.db2.gz NMAOFLIJDZBEJI-HUUCEWRRSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021258 1032487764 /nfs/dbraw/zinc/48/77/64/1032487764.db2.gz NMAOFLIJDZBEJI-HUUCEWRRSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021258 1032487767 /nfs/dbraw/zinc/48/77/67/1032487767.db2.gz NMAOFLIJDZBEJI-HUUCEWRRSA-N 1 2 343.471 3.781 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459822505 1032491529 /nfs/dbraw/zinc/49/15/29/1032491529.db2.gz HTYXWSPVJLKSFS-UONOGXRCSA-N 1 2 345.443 3.707 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459822505 1032491532 /nfs/dbraw/zinc/49/15/32/1032491532.db2.gz HTYXWSPVJLKSFS-UONOGXRCSA-N 1 2 345.443 3.707 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2ccc(-c3csc(C)n3)cc2)o1 ZINC000537052163 1032503467 /nfs/dbraw/zinc/50/34/67/1032503467.db2.gz UVMNOAKENBNXBY-LLVKDONJSA-N 1 2 328.441 3.915 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000089268832 1032521925 /nfs/dbraw/zinc/52/19/25/1032521925.db2.gz LPFZJYBJSKACCR-HUUCEWRRSA-N 1 2 328.803 3.862 20 0 EHADLO CCc1cc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)on1 ZINC000089703750 1032538552 /nfs/dbraw/zinc/53/85/52/1032538552.db2.gz NFOWHTFUDOXTQX-AWEZNQCLSA-N 1 2 339.208 3.916 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1c(F)cccc1Cl ZINC000537178156 1032548957 /nfs/dbraw/zinc/54/89/57/1032548957.db2.gz RHYSRKYWQWOSMW-AVGNSLFASA-N 1 2 326.843 3.919 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1Br ZINC000090223721 1032563943 /nfs/dbraw/zinc/56/39/43/1032563943.db2.gz RHSGBCQFJWWBOH-LSDHHAIUSA-N 1 2 349.276 3.925 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000606238009 1032613405 /nfs/dbraw/zinc/61/34/05/1032613405.db2.gz ZKNIHPKNVVUKIQ-QFBILLFUSA-N 1 2 344.499 3.982 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000460169448 1032639584 /nfs/dbraw/zinc/63/95/84/1032639584.db2.gz LCFYGVPVPDTJMF-INIZCTEOSA-N 1 2 328.460 3.652 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)c1C ZINC000592983941 1032654818 /nfs/dbraw/zinc/65/48/18/1032654818.db2.gz OLQHQYGQEXSIRU-CYBMUJFWSA-N 1 2 344.480 3.915 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)c1C ZINC000592983941 1032654829 /nfs/dbraw/zinc/65/48/29/1032654829.db2.gz OLQHQYGQEXSIRU-CYBMUJFWSA-N 1 2 344.480 3.915 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)sc1C ZINC000592983835 1032656128 /nfs/dbraw/zinc/65/61/28/1032656128.db2.gz SIIZFBDXTAOMOJ-NSHDSACASA-N 1 2 335.498 3.597 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)sc1C ZINC000592983835 1032656139 /nfs/dbraw/zinc/65/61/39/1032656139.db2.gz SIIZFBDXTAOMOJ-NSHDSACASA-N 1 2 335.498 3.597 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C)n2)c(C)c1 ZINC000606368605 1032656710 /nfs/dbraw/zinc/65/67/10/1032656710.db2.gz HQPVCPQPWXOFDD-MRXNPFEDSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C)n2)c(C)c1 ZINC000606368605 1032656715 /nfs/dbraw/zinc/65/67/15/1032656715.db2.gz HQPVCPQPWXOFDD-MRXNPFEDSA-N 1 2 329.469 3.850 20 0 EHADLO CS[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000172392341 1032659195 /nfs/dbraw/zinc/65/91/95/1032659195.db2.gz XZIZWSKRAOQTLJ-GOSISDBHSA-N 1 2 337.448 3.593 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(Br)s2)nc(C)n1 ZINC000659820510 1017070182 /nfs/dbraw/zinc/07/01/82/1017070182.db2.gz HJEJVIXRZYYAHR-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(Br)s2)nc(C)n1 ZINC000659820510 1017070193 /nfs/dbraw/zinc/07/01/93/1017070193.db2.gz HJEJVIXRZYYAHR-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449502829 1032682329 /nfs/dbraw/zinc/68/23/29/1032682329.db2.gz PCHPXCYJLKGBCV-TVQRCGJNSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449502829 1032682335 /nfs/dbraw/zinc/68/23/35/1032682335.db2.gz PCHPXCYJLKGBCV-TVQRCGJNSA-N 1 2 334.204 3.584 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000606437809 1032684412 /nfs/dbraw/zinc/68/44/12/1032684412.db2.gz AMECIPRMCSFFNC-OAHLLOKOSA-N 1 2 336.348 3.986 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000606437809 1032684416 /nfs/dbraw/zinc/68/44/16/1032684416.db2.gz AMECIPRMCSFFNC-OAHLLOKOSA-N 1 2 336.348 3.986 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000547883749 1017182690 /nfs/dbraw/zinc/18/26/90/1017182690.db2.gz CMHNNIBZGLWPCV-DOTOQJQBSA-N 1 2 329.444 3.981 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C(C)C)n2)c1 ZINC000547883297 1017185078 /nfs/dbraw/zinc/18/50/78/1017185078.db2.gz RMRIGOCQPRZQBG-IAGOWNOFSA-N 1 2 329.444 3.981 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000606449167 1032689324 /nfs/dbraw/zinc/68/93/24/1032689324.db2.gz PGZHIVNYHHGQHR-GFCCVEGCSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000606449167 1032689334 /nfs/dbraw/zinc/68/93/34/1032689334.db2.gz PGZHIVNYHHGQHR-GFCCVEGCSA-N 1 2 331.362 3.951 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000537392529 1032691187 /nfs/dbraw/zinc/69/11/87/1032691187.db2.gz LIDNSALBSIULMW-QGZVFWFLSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000537392529 1032691198 /nfs/dbraw/zinc/69/11/98/1032691198.db2.gz LIDNSALBSIULMW-QGZVFWFLSA-N 1 2 330.497 3.785 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2Cl)CCN1 ZINC000188928355 1017342918 /nfs/dbraw/zinc/34/29/18/1017342918.db2.gz BQPWKWQHCXHCCR-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2Cl)CCN1 ZINC000188928355 1017342923 /nfs/dbraw/zinc/34/29/23/1017342923.db2.gz BQPWKWQHCXHCCR-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(Br)cc2)c(C)o1 ZINC000659834728 1017354156 /nfs/dbraw/zinc/35/41/56/1017354156.db2.gz ZDEOKECWMXPQCO-UHFFFAOYSA-N 1 2 339.233 3.565 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(Br)cc2)c(C)o1 ZINC000659834728 1017354172 /nfs/dbraw/zinc/35/41/72/1017354172.db2.gz ZDEOKECWMXPQCO-UHFFFAOYSA-N 1 2 339.233 3.565 20 0 EHADLO CC[C@H](Nc1cc(N(C)C)nc[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000892760619 1017354947 /nfs/dbraw/zinc/35/49/47/1017354947.db2.gz YEQBFYPBBVQVAC-QMMMGPOBSA-N 1 2 331.367 3.581 20 0 EHADLO c1c(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)nn2c1CCCC2 ZINC000655717047 1017452459 /nfs/dbraw/zinc/45/24/59/1017452459.db2.gz TUVYAPZLWIAGQR-UHFFFAOYSA-N 1 2 334.423 3.697 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)c(OC(C)(C)C)c1 ZINC000655745825 1017523266 /nfs/dbraw/zinc/52/32/66/1017523266.db2.gz FPJAUQWILCYPKW-UHFFFAOYSA-N 1 2 327.472 3.995 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)cs1 ZINC000528736295 1032707254 /nfs/dbraw/zinc/70/72/54/1032707254.db2.gz SPJPZFFJYWFDIL-LJQANCHMSA-N 1 2 344.480 3.649 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)cs1 ZINC000528736295 1032707273 /nfs/dbraw/zinc/70/72/73/1032707273.db2.gz SPJPZFFJYWFDIL-LJQANCHMSA-N 1 2 344.480 3.649 20 0 EHADLO Cc1nc(C2CCC2)sc1CC(=O)OCc1cccc2[nH+]ccn21 ZINC000892867544 1017615474 /nfs/dbraw/zinc/61/54/74/1017615474.db2.gz VUZHLYFQNDJFKO-UHFFFAOYSA-N 1 2 341.436 3.653 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2nc3ccccc3o2)cc1C ZINC000091626663 1032712042 /nfs/dbraw/zinc/71/20/42/1032712042.db2.gz XCTLQFPQBPCUTC-GFCCVEGCSA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2nc3ccccc3o2)cc1C ZINC000091626663 1032712059 /nfs/dbraw/zinc/71/20/59/1032712059.db2.gz XCTLQFPQBPCUTC-GFCCVEGCSA-N 1 2 328.368 3.709 20 0 EHADLO c1ccc([C@@H]2CCCC[C@@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)cc1 ZINC000655793652 1017620996 /nfs/dbraw/zinc/62/09/96/1017620996.db2.gz ANRLQSZBWDFQSQ-KURKYZTESA-N 1 2 340.471 3.862 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077976082 1017622288 /nfs/dbraw/zinc/62/22/88/1017622288.db2.gz UVCBENBLDCEVLJ-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077976082 1017622300 /nfs/dbraw/zinc/62/23/00/1017622300.db2.gz UVCBENBLDCEVLJ-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1(c2ccccc2)CCCC1 ZINC000655794500 1017626055 /nfs/dbraw/zinc/62/60/55/1017626055.db2.gz NXBMCNAZNDWGTE-WBVHZDCISA-N 1 2 340.471 3.646 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655796685 1017629876 /nfs/dbraw/zinc/62/98/76/1017629876.db2.gz IRDIOXIYXGSMNY-HUBLWGQQSA-N 1 2 334.851 3.591 20 0 EHADLO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796026 1017632897 /nfs/dbraw/zinc/63/28/97/1017632897.db2.gz FNHSXAWTUCPIMD-WMLDXEAASA-N 1 2 328.460 3.706 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000655797836 1017635422 /nfs/dbraw/zinc/63/54/22/1017635422.db2.gz QVLFGJVEXQSUSD-XOYOTBSWSA-N 1 2 340.471 3.718 20 0 EHADLO CC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)s1 ZINC000655796899 1017636254 /nfs/dbraw/zinc/63/62/54/1017636254.db2.gz KHLBJRRPMFOXGN-UWVGGRQHSA-N 1 2 326.853 3.612 20 0 EHADLO Cc1cc(N2CCC[C@H]2C[C@H](O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000892903837 1017680827 /nfs/dbraw/zinc/68/08/27/1017680827.db2.gz XSNJFJVLXBXILQ-HOTGVXAUSA-N 1 2 327.428 3.738 20 0 EHADLO Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000892908069 1017687411 /nfs/dbraw/zinc/68/74/11/1017687411.db2.gz LMWLVQDJVPOOJJ-CQSZACIVSA-N 1 2 343.427 3.737 20 0 EHADLO C[C@@H]1CCN(c2ccc3cc(Cl)cnc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000892912541 1017701204 /nfs/dbraw/zinc/70/12/04/1017701204.db2.gz VFCGPTVJVXZIOA-DOMZBBRYSA-N 1 2 327.819 3.567 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613668854 1017710946 /nfs/dbraw/zinc/71/09/46/1017710946.db2.gz DOPDQOYILDIKNC-HOTGVXAUSA-N 1 2 331.847 3.551 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ncc(Br)cn1 ZINC000340423380 1017724632 /nfs/dbraw/zinc/72/46/32/1017724632.db2.gz MKOFBCBFFIKDHW-ZUZCIYMTSA-N 1 2 348.244 3.673 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343844224 1017840149 /nfs/dbraw/zinc/84/01/49/1017840149.db2.gz URCGWZAVXLAQQU-KCJUWKMLSA-N 1 2 334.338 3.685 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000356508542 1017860724 /nfs/dbraw/zinc/86/07/24/1017860724.db2.gz SKORVCCMCAXXRC-UHFFFAOYSA-N 1 2 331.828 3.732 20 0 EHADLO Oc1ccc([C@H]2CC[N@H+](Cc3nc(Br)cs3)C2)cc1 ZINC001207000278 1017911527 /nfs/dbraw/zinc/91/15/27/1017911527.db2.gz WULMHFKSATVLLH-NSHDSACASA-N 1 2 339.258 3.601 20 0 EHADLO Oc1ccc([C@H]2CC[N@@H+](Cc3nc(Br)cs3)C2)cc1 ZINC001207000278 1017911541 /nfs/dbraw/zinc/91/15/41/1017911541.db2.gz WULMHFKSATVLLH-NSHDSACASA-N 1 2 339.258 3.601 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792609 1017924434 /nfs/dbraw/zinc/92/44/34/1017924434.db2.gz UNNGAQFOCYJPPZ-INIZCTEOSA-N 1 2 339.483 3.799 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792609 1017924440 /nfs/dbraw/zinc/92/44/40/1017924440.db2.gz UNNGAQFOCYJPPZ-INIZCTEOSA-N 1 2 339.483 3.799 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2c(F)c(F)ccc2OCC)CC1 ZINC001143495804 1017947239 /nfs/dbraw/zinc/94/72/39/1017947239.db2.gz UPAMBFBKPHXTQF-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000066792947 1017983299 /nfs/dbraw/zinc/98/32/99/1017983299.db2.gz VPBGHOMEZMEKPA-QGZVFWFLSA-N 1 2 325.456 3.644 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000066792947 1017983317 /nfs/dbraw/zinc/98/33/17/1017983317.db2.gz VPBGHOMEZMEKPA-QGZVFWFLSA-N 1 2 325.456 3.644 20 0 EHADLO Cc1cn(C[N@@H+](C)Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000728705082 1017997763 /nfs/dbraw/zinc/99/77/63/1017997763.db2.gz MXBPXAOBQUULAS-UHFFFAOYSA-N 1 2 341.842 3.690 20 0 EHADLO Cc1cn(C[N@H+](C)Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000728705082 1017997776 /nfs/dbraw/zinc/99/77/76/1017997776.db2.gz MXBPXAOBQUULAS-UHFFFAOYSA-N 1 2 341.842 3.690 20 0 EHADLO Fc1cc(F)cc(C2CC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)c1 ZINC000377612676 1018053104 /nfs/dbraw/zinc/05/31/04/1018053104.db2.gz BKFODPVZVFLWMQ-UYJHFMRCSA-N 1 2 340.377 3.708 20 0 EHADLO C=Cn1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cn1 ZINC000683696704 1018053273 /nfs/dbraw/zinc/05/32/73/1018053273.db2.gz GJHIGKMIODLFIV-GHMZBOCLSA-N 1 2 327.272 3.546 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066795968 1018163374 /nfs/dbraw/zinc/16/33/74/1018163374.db2.gz JXQCKQZJLICGRD-SFHVURJKSA-N 1 2 339.483 3.768 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000066795968 1018163382 /nfs/dbraw/zinc/16/33/82/1018163382.db2.gz JXQCKQZJLICGRD-SFHVURJKSA-N 1 2 339.483 3.768 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066796032 1018167483 /nfs/dbraw/zinc/16/74/83/1018167483.db2.gz BXENBJATFYHFJB-MRXNPFEDSA-N 1 2 328.485 3.976 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066796032 1018167494 /nfs/dbraw/zinc/16/74/94/1018167494.db2.gz BXENBJATFYHFJB-MRXNPFEDSA-N 1 2 328.485 3.976 20 0 EHADLO CCc1nnc(C[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000290249261 1018177628 /nfs/dbraw/zinc/17/76/28/1018177628.db2.gz UBWQMJCHTHZFOS-LBPRGKRZSA-N 1 2 338.274 3.640 20 0 EHADLO Cc1cccc(OCCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000047514875 1018210189 /nfs/dbraw/zinc/21/01/89/1018210189.db2.gz YHMHNQDMXYICQQ-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757077 1032750443 /nfs/dbraw/zinc/75/04/43/1032750443.db2.gz ICIIZWQAMLSAGB-RTBURBONSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1)c1ccccc1 ZINC000157757077 1032750460 /nfs/dbraw/zinc/75/04/60/1032750460.db2.gz ICIIZWQAMLSAGB-RTBURBONSA-N 1 2 331.843 3.665 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000685310709 1032757530 /nfs/dbraw/zinc/75/75/30/1032757530.db2.gz ZSBJFQKNBMLFRM-ZOBUZTSGSA-N 1 2 343.858 3.931 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](Cc3ccccc3)C3CC3)ccc2[nH+]1 ZINC000606568833 1032752792 /nfs/dbraw/zinc/75/27/92/1032752792.db2.gz ARUITNOYDUDVCA-SFHVURJKSA-N 1 2 334.423 3.786 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001143498396 1018283049 /nfs/dbraw/zinc/28/30/49/1018283049.db2.gz BDDJUCWDDAVEEJ-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001143498396 1018283058 /nfs/dbraw/zinc/28/30/58/1018283058.db2.gz BDDJUCWDDAVEEJ-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccccc3N3CCCC3)ccc2[nH+]1 ZINC000606570405 1032753908 /nfs/dbraw/zinc/75/39/08/1032753908.db2.gz QSUCRPUZVNFGOD-UHFFFAOYSA-N 1 2 349.438 3.565 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3ccc4cnccc4c3)c[nH+]2)C[C@@H](C)O1 ZINC000683752254 1018322030 /nfs/dbraw/zinc/32/20/30/1018322030.db2.gz UPQNBGYBIHCWBE-HZPDHXFCSA-N 1 2 348.450 3.856 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc([C@@H]2CCCO2)s1 ZINC000548031575 1018402172 /nfs/dbraw/zinc/40/21/72/1018402172.db2.gz SKQGCBKRUZGGED-HNNXBMFYSA-N 1 2 346.431 3.537 20 0 EHADLO Cc1nc2ccc(C[NH2+]Cc3ncc(C(F)(F)F)cn3)cc2s1 ZINC000580035950 1018412633 /nfs/dbraw/zinc/41/26/33/1018412633.db2.gz SWAUGEWCKMMPMJ-UHFFFAOYSA-N 1 2 338.358 3.703 20 0 EHADLO CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580998 1032763383 /nfs/dbraw/zinc/76/33/83/1032763383.db2.gz MMIKWCDNMYVIFF-UHFFFAOYSA-N 1 2 349.438 3.598 20 0 EHADLO COc1ccc([C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C(C)C)cc1 ZINC000606581504 1032764822 /nfs/dbraw/zinc/76/48/22/1032764822.db2.gz FXJXDOAGNOYPEK-GOSISDBHSA-N 1 2 338.411 3.862 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460738515 1018452510 /nfs/dbraw/zinc/45/25/10/1018452510.db2.gz UUHBXODDMNCCRM-NQIIRXRSSA-N 1 2 347.462 3.804 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)n1 ZINC000593117616 1032766537 /nfs/dbraw/zinc/76/65/37/1032766537.db2.gz PXMHGOCMNSQTLX-LBPRGKRZSA-N 1 2 348.443 3.621 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)n1 ZINC000593117616 1032766552 /nfs/dbraw/zinc/76/65/52/1032766552.db2.gz PXMHGOCMNSQTLX-LBPRGKRZSA-N 1 2 348.443 3.621 20 0 EHADLO Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606583064 1032767153 /nfs/dbraw/zinc/76/71/53/1032767153.db2.gz NYQZOTPEOFKQNH-SFHVURJKSA-N 1 2 334.423 3.882 20 0 EHADLO Cc1cccnc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178056923 1018514816 /nfs/dbraw/zinc/51/48/16/1018514816.db2.gz QPYMXTQJNCGGLR-ROUUACIJSA-N 1 2 347.422 3.637 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548047162 1018515616 /nfs/dbraw/zinc/51/56/16/1018515616.db2.gz SHOSUZIBGIXPFN-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548047162 1018515625 /nfs/dbraw/zinc/51/56/25/1018515625.db2.gz SHOSUZIBGIXPFN-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc(C)c1F ZINC001143379814 1018515992 /nfs/dbraw/zinc/51/59/92/1018515992.db2.gz WIFNOKZGZBYBKP-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc(CC(C)C)nc3C)ccc2[nH+]1 ZINC000340575095 1018559045 /nfs/dbraw/zinc/55/90/45/1018559045.db2.gz XNKBLOQXILLJHP-UHFFFAOYSA-N 1 2 328.441 3.858 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000340583147 1018587929 /nfs/dbraw/zinc/58/79/29/1018587929.db2.gz HMMPFVMTNPOSJP-OAQYLSRUSA-N 1 2 345.446 3.537 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1F ZINC000340596648 1018605037 /nfs/dbraw/zinc/60/50/37/1018605037.db2.gz JSUQQTMWZPSEPF-GFCCVEGCSA-N 1 2 342.374 3.673 20 0 EHADLO CC[NH+]1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000031864538 1032772542 /nfs/dbraw/zinc/77/25/42/1032772542.db2.gz XIGJYXSUHZWSHG-UHFFFAOYSA-N 1 2 349.887 3.550 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052047651 1018715272 /nfs/dbraw/zinc/71/52/72/1018715272.db2.gz CAXWUWDFNCWEQT-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052047651 1018715283 /nfs/dbraw/zinc/71/52/83/1018715283.db2.gz CAXWUWDFNCWEQT-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCc1nc2ccccc2[nH]1 ZINC000160417914 1018762816 /nfs/dbraw/zinc/76/28/16/1018762816.db2.gz YTRWERXPFZOOKN-UHFFFAOYSA-N 1 2 349.442 3.502 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052446041 1018814957 /nfs/dbraw/zinc/81/49/57/1018814957.db2.gz ACRQQDCBWWYXTN-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000052164258 1018851766 /nfs/dbraw/zinc/85/17/66/1018851766.db2.gz IOVMKDMPCBOTTQ-HNNXBMFYSA-N 1 2 344.430 3.534 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000052164258 1018851784 /nfs/dbraw/zinc/85/17/84/1018851784.db2.gz IOVMKDMPCBOTTQ-HNNXBMFYSA-N 1 2 344.430 3.534 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000580271041 1018906162 /nfs/dbraw/zinc/90/61/62/1018906162.db2.gz LHHLRLRHPMBAKX-CPUCHLNUSA-N 1 2 346.862 3.890 20 0 EHADLO COC(=O)c1cccc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)c1 ZINC000576404262 1018936950 /nfs/dbraw/zinc/93/69/50/1018936950.db2.gz GEQDWIRQWILBFV-UHFFFAOYSA-N 1 2 337.423 3.534 20 0 EHADLO C[C@H](CNc1cc(NC[C@H](C)c2ccccn2)nc[nH+]1)c1ccccn1 ZINC000664148287 1018944818 /nfs/dbraw/zinc/94/48/18/1018944818.db2.gz JGGMYVTYZKBCJB-IYBDPMFKSA-N 1 2 348.454 3.698 20 0 EHADLO C[C@H](CNc1cc(NC[C@H](C)c2ccccn2)[nH+]cn1)c1ccccn1 ZINC000664148287 1018944830 /nfs/dbraw/zinc/94/48/30/1018944830.db2.gz JGGMYVTYZKBCJB-IYBDPMFKSA-N 1 2 348.454 3.698 20 0 EHADLO Nc1c(F)cc(Nc2ccc3[nH+]cc(Br)n3c2)cc1F ZINC001210908120 1018973308 /nfs/dbraw/zinc/97/33/08/1018973308.db2.gz IDWGMVATKXYBBX-UHFFFAOYSA-N 1 2 339.143 3.701 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(O)ccc1Cl ZINC000580323003 1019031084 /nfs/dbraw/zinc/03/10/84/1019031084.db2.gz YNQWFEMJTZNYFG-JOCQHMNTSA-N 1 2 345.830 3.594 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000580328700 1019039788 /nfs/dbraw/zinc/03/97/88/1019039788.db2.gz AJTQLZQMKVCYPU-KRWDZBQOSA-N 1 2 338.542 3.899 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000580328700 1019039803 /nfs/dbraw/zinc/03/98/03/1019039803.db2.gz AJTQLZQMKVCYPU-KRWDZBQOSA-N 1 2 338.542 3.899 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCCC[C@H]1c1ccco1 ZINC000345095696 1019094602 /nfs/dbraw/zinc/09/46/02/1019094602.db2.gz YVUZKMBONZEUNI-ZACQAIPSSA-N 1 2 339.439 3.501 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]Cc1nnc(-c2ccncc2)[nH]1 ZINC000584456930 1032809162 /nfs/dbraw/zinc/80/91/62/1032809162.db2.gz FPMFIPBOCAMOTH-QGZVFWFLSA-N 1 2 344.422 3.515 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000449563325 1032814595 /nfs/dbraw/zinc/81/45/95/1032814595.db2.gz UIQIEUFEHCHCHW-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926827 1019315382 /nfs/dbraw/zinc/31/53/82/1019315382.db2.gz RPEIXOQHGWRAHE-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO CC[NH+]1CCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 ZINC000052929794 1019324808 /nfs/dbraw/zinc/32/48/08/1019324808.db2.gz RTMNZOMBUIWMFA-UHFFFAOYSA-N 1 2 349.887 3.550 20 0 EHADLO O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000046353805 1019333711 /nfs/dbraw/zinc/33/37/11/1019333711.db2.gz VZFMYSHUAXFJKR-UHFFFAOYSA-N 1 2 342.402 3.844 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576595449 1019352182 /nfs/dbraw/zinc/35/21/82/1019352182.db2.gz LHXFFLFALQRSSG-ZDUSSCGKSA-N 1 2 343.496 3.638 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)c(C)[nH]1 ZINC000261373471 1019358652 /nfs/dbraw/zinc/35/86/52/1019358652.db2.gz KAIFTTJKAPONFW-UHFFFAOYSA-N 1 2 340.467 3.974 20 0 EHADLO COc1cccc2c(NC3CCC(O)(c4cccnc4)CC3)cc[nH+]c12 ZINC000275893179 1019451599 /nfs/dbraw/zinc/45/15/99/1019451599.db2.gz YGUIPYMLDHPMJM-UHFFFAOYSA-N 1 2 349.434 3.881 20 0 EHADLO CC(C)[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1F ZINC000430007048 1019457068 /nfs/dbraw/zinc/45/70/68/1019457068.db2.gz LKJGKCTVNILQFL-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO CC(C)[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1F ZINC000430007048 1019457078 /nfs/dbraw/zinc/45/70/78/1019457078.db2.gz LKJGKCTVNILQFL-UHFFFAOYSA-N 1 2 338.430 3.876 20 0 EHADLO O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614481772 1019534212 /nfs/dbraw/zinc/53/42/12/1019534212.db2.gz WTUHEBLMBZNRAG-DLBZAZTESA-N 1 2 341.499 3.896 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000155777158 1019571370 /nfs/dbraw/zinc/57/13/70/1019571370.db2.gz GRSKNJHMTWVYTM-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155777158 1019571377 /nfs/dbraw/zinc/57/13/77/1019571377.db2.gz GRSKNJHMTWVYTM-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO FC(F)(F)[C@H]1CCCC[C@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433780324 1019604780 /nfs/dbraw/zinc/60/47/80/1019604780.db2.gz SUAKMYMCCOHILK-STQMWFEESA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@H]1CCCC[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433780324 1019604787 /nfs/dbraw/zinc/60/47/87/1019604787.db2.gz SUAKMYMCCOHILK-STQMWFEESA-N 1 2 328.382 3.857 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2CNc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433785704 1019616293 /nfs/dbraw/zinc/61/62/93/1019616293.db2.gz JYUVJZUBTVFHPL-AEFFLSMTSA-N 1 2 336.439 3.576 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000513433811 1019663699 /nfs/dbraw/zinc/66/36/99/1019663699.db2.gz ZFIKQRWFAGDGAO-JRPNMDOOSA-N 1 2 329.362 3.739 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c[nH+]1 ZINC000397047626 1032845454 /nfs/dbraw/zinc/84/54/54/1032845454.db2.gz WOXTXEIJPVYOCU-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO O=C(/C=C\c1ccnc2ccccc12)NCCCCNc1cccc[nH+]1 ZINC000255617014 1019679101 /nfs/dbraw/zinc/67/91/01/1019679101.db2.gz BUTBOCBKNBRVNZ-KHPPLWFESA-N 1 2 346.434 3.652 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1F ZINC001203399255 1019769758 /nfs/dbraw/zinc/76/97/58/1019769758.db2.gz QPHBPCSZUXYNTA-OLZOCXBDSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1F ZINC001203399255 1019769774 /nfs/dbraw/zinc/76/97/74/1019769774.db2.gz QPHBPCSZUXYNTA-OLZOCXBDSA-N 1 2 343.723 3.706 20 0 EHADLO FC1(F)CC12C[NH+](Cc1ccnc3c(Br)cccc13)C2 ZINC000656265667 1019786424 /nfs/dbraw/zinc/78/64/24/1019786424.db2.gz VEOSRQDFPQOVRX-UHFFFAOYSA-N 1 2 339.183 3.838 20 0 EHADLO Fc1ccc(F)c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000684021921 1019833810 /nfs/dbraw/zinc/83/38/10/1019833810.db2.gz YIQGMEJFLHAPEV-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000656276478 1019886107 /nfs/dbraw/zinc/88/61/07/1019886107.db2.gz QAISDKOCNKDEJG-NSHDSACASA-N 1 2 325.359 3.789 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000656276478 1019886109 /nfs/dbraw/zinc/88/61/09/1019886109.db2.gz QAISDKOCNKDEJG-NSHDSACASA-N 1 2 325.359 3.789 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000093329112 1032862829 /nfs/dbraw/zinc/86/28/29/1032862829.db2.gz ZRQMUWRHPAMMRJ-ZDUSSCGKSA-N 1 2 343.374 3.519 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000093329112 1032862847 /nfs/dbraw/zinc/86/28/47/1032862847.db2.gz ZRQMUWRHPAMMRJ-ZDUSSCGKSA-N 1 2 343.374 3.519 20 0 EHADLO Fc1cccc(C=C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000434080258 1019944365 /nfs/dbraw/zinc/94/43/65/1019944365.db2.gz IKYZSCIESXOQPM-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO Fc1cccc(C=C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000434080258 1019944373 /nfs/dbraw/zinc/94/43/73/1019944373.db2.gz IKYZSCIESXOQPM-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(Br)cn3)cn2c1 ZINC000280018579 1020011490 /nfs/dbraw/zinc/01/14/90/1020011490.db2.gz HFXDWCVJGIMAOV-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@H]1C ZINC000345179269 1020029543 /nfs/dbraw/zinc/02/95/43/1020029543.db2.gz ZGUQWQBZBVEZAH-JKSUJKDBSA-N 1 2 344.480 3.639 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@H]1C ZINC000345179269 1020029558 /nfs/dbraw/zinc/02/95/58/1020029558.db2.gz ZGUQWQBZBVEZAH-JKSUJKDBSA-N 1 2 344.480 3.639 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ccnc(Br)c2F)c1 ZINC001232030015 1032875907 /nfs/dbraw/zinc/87/59/07/1032875907.db2.gz JANALVCUGYFKOA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ccnc(Br)c2F)c1 ZINC001232030015 1032875922 /nfs/dbraw/zinc/87/59/22/1032875922.db2.gz JANALVCUGYFKOA-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Fc1cccc(C2(CNc3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000606894222 1032876190 /nfs/dbraw/zinc/87/61/90/1032876190.db2.gz BXKLVIRCDNTKHJ-UHFFFAOYSA-N 1 2 326.419 3.750 20 0 EHADLO Fc1cccc(C2(CNc3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000606894222 1032876206 /nfs/dbraw/zinc/87/62/06/1032876206.db2.gz BXKLVIRCDNTKHJ-UHFFFAOYSA-N 1 2 326.419 3.750 20 0 EHADLO C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000345357076 1020181607 /nfs/dbraw/zinc/18/16/07/1020181607.db2.gz VFLWNYBKTOEYQV-GFCCVEGCSA-N 1 2 337.345 3.782 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)[C@H](C)c3cccc(O)c3)nc(N)c2c1C ZINC000093193245 1032883306 /nfs/dbraw/zinc/88/33/06/1032883306.db2.gz XNKMFKFIRBVPDI-LLVKDONJSA-N 1 2 342.468 3.789 20 0 EHADLO Cc1sc2nc(C[N@H+](C)[C@H](C)c3cccc(O)c3)nc(N)c2c1C ZINC000093193245 1032883313 /nfs/dbraw/zinc/88/33/13/1032883313.db2.gz XNKMFKFIRBVPDI-LLVKDONJSA-N 1 2 342.468 3.789 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000280240633 1020223584 /nfs/dbraw/zinc/22/35/84/1020223584.db2.gz MWDHXWKGKYSBNU-UHFFFAOYSA-N 1 2 349.259 3.532 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000656323651 1020224512 /nfs/dbraw/zinc/22/45/12/1020224512.db2.gz PZBSPSVVWIINTA-FQEVSTJZSA-N 1 2 348.450 3.663 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093221892 1032885196 /nfs/dbraw/zinc/88/51/96/1032885196.db2.gz GOXSOOPUXGPABD-QFIPXVFZSA-N 1 2 349.478 3.622 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)C2CC2)cc1 ZINC000093221892 1032885208 /nfs/dbraw/zinc/88/52/08/1032885208.db2.gz GOXSOOPUXGPABD-QFIPXVFZSA-N 1 2 349.478 3.622 20 0 EHADLO CC(C)c1ccccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000345445302 1020260193 /nfs/dbraw/zinc/26/01/93/1020260193.db2.gz GVTKYFDVZYONML-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO CN(CCc1cccs1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255907398 1020264640 /nfs/dbraw/zinc/26/46/40/1020264640.db2.gz MWALYFHTDFKAHC-TWGQIWQCSA-N 1 2 337.448 3.648 20 0 EHADLO Cc1ccc2c(C[NH2+][C@@H](C)c3ncccc3F)cc(=O)oc2c1C ZINC000528833909 1032887818 /nfs/dbraw/zinc/88/78/18/1032887818.db2.gz ZFLZCMUIKBCEMI-ZDUSSCGKSA-N 1 2 326.371 3.795 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345467000 1020279382 /nfs/dbraw/zinc/27/93/82/1020279382.db2.gz RCZFDJDWHVEUGP-NVXWUHKLSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897372 1032889434 /nfs/dbraw/zinc/88/94/34/1032889434.db2.gz BGKUTEGJLYKSFT-ZNMIVQPWSA-N 1 2 334.891 3.591 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897372 1032889453 /nfs/dbraw/zinc/88/94/53/1032889453.db2.gz BGKUTEGJLYKSFT-ZNMIVQPWSA-N 1 2 334.891 3.591 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000581039006 1020372220 /nfs/dbraw/zinc/37/22/20/1020372220.db2.gz IRNHAPDFMGTYAV-PMACEKPBSA-N 1 2 333.472 3.635 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000581039006 1020372232 /nfs/dbraw/zinc/37/22/32/1020372232.db2.gz IRNHAPDFMGTYAV-PMACEKPBSA-N 1 2 333.472 3.635 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CCCCC2 ZINC000345605680 1020399018 /nfs/dbraw/zinc/39/90/18/1020399018.db2.gz BNSOKGBPOMVNQV-UHFFFAOYSA-N 1 2 343.496 3.522 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000345630547 1020404182 /nfs/dbraw/zinc/40/41/82/1020404182.db2.gz FXZPUQWHCXPBQC-UHFFFAOYSA-N 1 2 329.469 3.621 20 0 EHADLO CC(C)c1nc(C[NH2+]Cc2ccnc(OC(F)F)c2)c2ccccn21 ZINC000581076887 1020406331 /nfs/dbraw/zinc/40/63/31/1020406331.db2.gz LNXYGDHGLVNURC-UHFFFAOYSA-N 1 2 346.381 3.744 20 0 EHADLO Cc1cccn2cc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000610477051 1020420416 /nfs/dbraw/zinc/42/04/16/1020420416.db2.gz GNPZUBWWHXGDMY-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccn2cc(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000610477051 1020420422 /nfs/dbraw/zinc/42/04/22/1020420422.db2.gz GNPZUBWWHXGDMY-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cc(Br)cn2c(C[NH+]3CC(C4CCC4)C3)cnc12 ZINC000581099803 1020425903 /nfs/dbraw/zinc/42/59/03/1020425903.db2.gz WQIHDJPIZNBUOF-UHFFFAOYSA-N 1 2 334.261 3.637 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCC1 ZINC000656384258 1020431099 /nfs/dbraw/zinc/43/10/99/1020431099.db2.gz NPBHBQWRMMWJLM-QZTJIDSGSA-N 1 2 331.460 3.603 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000280492991 1020433663 /nfs/dbraw/zinc/43/36/63/1020433663.db2.gz KLMZZVRSZUHVCT-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccsc1 ZINC000156896063 1020527257 /nfs/dbraw/zinc/52/72/57/1020527257.db2.gz DVJMJDVMEYQKPZ-LBPRGKRZSA-N 1 2 335.498 3.933 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842766 1032909810 /nfs/dbraw/zinc/90/98/10/1032909810.db2.gz MEOFQPFKEGKHCY-VKAVYKQESA-N 1 2 330.435 3.864 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842766 1032909827 /nfs/dbraw/zinc/90/98/27/1032909827.db2.gz MEOFQPFKEGKHCY-VKAVYKQESA-N 1 2 330.435 3.864 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1OCC(C)C ZINC000093841144 1032911555 /nfs/dbraw/zinc/91/15/55/1032911555.db2.gz UETCBVKUDDDEAG-FQEVSTJZSA-N 1 2 345.439 3.897 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1OCC(C)C ZINC000093841144 1032911563 /nfs/dbraw/zinc/91/15/63/1032911563.db2.gz UETCBVKUDDDEAG-FQEVSTJZSA-N 1 2 345.439 3.897 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(OC(C)C)cc3F)ccn12 ZINC001125487851 1020572033 /nfs/dbraw/zinc/57/20/33/1020572033.db2.gz ZBSOBDQSZURMJY-UHFFFAOYSA-N 1 2 327.359 3.821 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000123653540 1020613682 /nfs/dbraw/zinc/61/36/82/1020613682.db2.gz NOQKWWDLSBCAMZ-SJCJKPOMSA-N 1 2 342.830 3.741 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000280728123 1020615081 /nfs/dbraw/zinc/61/50/81/1020615081.db2.gz CTWOGKJRUWDIIZ-KRWDZBQOSA-N 1 2 331.485 3.672 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000280728123 1020615086 /nfs/dbraw/zinc/61/50/86/1020615086.db2.gz CTWOGKJRUWDIIZ-KRWDZBQOSA-N 1 2 331.485 3.672 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000501001588 1020640152 /nfs/dbraw/zinc/64/01/52/1020640152.db2.gz LTKUMWWLHJSHJB-HNAYVOBHSA-N 1 2 329.415 3.693 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[C@@H](OC)C1 ZINC000581313917 1020667474 /nfs/dbraw/zinc/66/74/74/1020667474.db2.gz VYINXMIBOHTLOR-ILZDJORESA-N 1 2 341.451 3.676 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cs1 ZINC000528846187 1032924544 /nfs/dbraw/zinc/92/45/44/1032924544.db2.gz HJUIOEBNHQOYRM-PXAZEXFGSA-N 1 2 347.484 3.885 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](c3ccccc3)c3ccncc3)cn2c1 ZINC000341023113 1020874635 /nfs/dbraw/zinc/87/46/35/1020874635.db2.gz RSWZOUMKDWINBO-OAQYLSRUSA-N 1 2 328.419 3.917 20 0 EHADLO CC(=O)c1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC000341068736 1020962052 /nfs/dbraw/zinc/96/20/52/1020962052.db2.gz CKICTDORADRCPJ-UHFFFAOYSA-N 1 2 337.354 3.525 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138542 1021001164 /nfs/dbraw/zinc/00/11/64/1021001164.db2.gz OXCNWXNJMGMVLA-VHSXEESVSA-N 1 2 333.295 3.541 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138542 1021001169 /nfs/dbraw/zinc/00/11/69/1021001169.db2.gz OXCNWXNJMGMVLA-VHSXEESVSA-N 1 2 333.295 3.541 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(NC(=O)c3cccs3)c2)n1C ZINC000341148149 1021013227 /nfs/dbraw/zinc/01/32/27/1021013227.db2.gz QLUXPZJYFRAYEM-UHFFFAOYSA-N 1 2 326.425 3.654 20 0 EHADLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1Cl ZINC001204562919 1021077736 /nfs/dbraw/zinc/07/77/36/1021077736.db2.gz UTEAITCUFHJESR-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1Cl ZINC001204562919 1021077740 /nfs/dbraw/zinc/07/77/40/1021077740.db2.gz UTEAITCUFHJESR-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO Cc1ccccc1CC1C[NH+](Cc2ccc(Br)cn2)C1 ZINC000656648862 1021085308 /nfs/dbraw/zinc/08/53/08/1021085308.db2.gz KYRIXSUTDKHIOF-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)ccc2[nH+]1 ZINC000341201132 1021088565 /nfs/dbraw/zinc/08/85/65/1021088565.db2.gz FDMSVTXUALBOAT-OLZOCXBDSA-N 1 2 327.334 3.663 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)cc1 ZINC000341209476 1021102179 /nfs/dbraw/zinc/10/21/79/1021102179.db2.gz LQLYAWBBAZXJOI-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO COCc1cc(C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)no1 ZINC000656656603 1021106988 /nfs/dbraw/zinc/10/69/88/1021106988.db2.gz VVNPJKWTNQYDOV-UHFFFAOYSA-N 1 2 340.345 3.514 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)OCO2 ZINC000090229006 1021119418 /nfs/dbraw/zinc/11/94/18/1021119418.db2.gz RVACWQYUTCVFSC-MRVPVSSYSA-N 1 2 327.277 3.823 20 0 EHADLO CCCc1csc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000449648897 1032956352 /nfs/dbraw/zinc/95/63/52/1032956352.db2.gz UVKUTBQPOWXPIR-ZIAGYGMSSA-N 1 2 343.496 3.552 20 0 EHADLO CCCc1ncc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341240837 1021155598 /nfs/dbraw/zinc/15/55/98/1021155598.db2.gz NIQHTIMLOTUTOH-UHFFFAOYSA-N 1 2 346.500 3.625 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cscn1 ZINC000656682540 1021162989 /nfs/dbraw/zinc/16/29/89/1021162989.db2.gz UFGFEYFCXOIFSP-BDAKNGLRSA-N 1 2 327.812 3.613 20 0 EHADLO O=C(c1ccc2ccccc2n1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341241688 1021166344 /nfs/dbraw/zinc/16/63/44/1021166344.db2.gz OKHMREDRXZGFQD-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cccc(C)c1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341242899 1021166425 /nfs/dbraw/zinc/16/64/25/1021166425.db2.gz PKUVPBVANZOTDW-UHFFFAOYSA-N 1 2 339.483 3.761 20 0 EHADLO FC(F)(F)CC1C[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000656686303 1021167677 /nfs/dbraw/zinc/16/76/77/1021167677.db2.gz BRZUFFIIAPUTIB-UHFFFAOYSA-N 1 2 335.753 3.886 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(Cl)c1OCC(F)F)n1cc[nH+]c1 ZINC000519604885 1021264303 /nfs/dbraw/zinc/26/43/03/1021264303.db2.gz KPJQHZNOIXQYSW-JTQLQIEISA-N 1 2 343.761 3.770 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000341280673 1021283494 /nfs/dbraw/zinc/28/34/94/1021283494.db2.gz QYZRZBZRTDLOTE-LJQANCHMSA-N 1 2 331.419 3.849 20 0 EHADLO Cc1cnc(C[NH+]2CCC(c3ccccc3Br)CC2)cn1 ZINC000439261272 1021286260 /nfs/dbraw/zinc/28/62/60/1021286260.db2.gz VDDSHAGEGSFQSH-UHFFFAOYSA-N 1 2 346.272 3.927 20 0 EHADLO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000516310592 1021289827 /nfs/dbraw/zinc/28/98/27/1021289827.db2.gz LAGPQQNHYRZFJI-KZNAEPCWSA-N 1 2 349.434 3.575 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000076724493 1021293512 /nfs/dbraw/zinc/29/35/12/1021293512.db2.gz RZMFYOCBIFSUEN-IUODEOHRSA-N 1 2 339.505 3.719 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000076724493 1021293516 /nfs/dbraw/zinc/29/35/16/1021293516.db2.gz RZMFYOCBIFSUEN-IUODEOHRSA-N 1 2 339.505 3.719 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000507513758 1021321653 /nfs/dbraw/zinc/32/16/53/1021321653.db2.gz ATSFZHMRDPLKSH-KRWDZBQOSA-N 1 2 334.467 3.934 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(-c2ccc(O)c(F)c2)no1)c1ccccc1 ZINC000436878555 1021326572 /nfs/dbraw/zinc/32/65/72/1021326572.db2.gz JSXCIWYPSXOTFO-MRXNPFEDSA-N 1 2 327.359 3.622 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(-c2ccc(O)c(F)c2)no1)c1ccccc1 ZINC000436878555 1021326590 /nfs/dbraw/zinc/32/65/90/1021326590.db2.gz JSXCIWYPSXOTFO-MRXNPFEDSA-N 1 2 327.359 3.622 20 0 EHADLO CC1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CCSCC1 ZINC001212105755 1032971835 /nfs/dbraw/zinc/97/18/35/1032971835.db2.gz HTLURWKFOULTNY-UHFFFAOYSA-N 1 2 326.425 3.707 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC000305401909 1021376182 /nfs/dbraw/zinc/37/61/82/1021376182.db2.gz NLYXXPZQSDWOKK-SECBINFHSA-N 1 2 326.131 3.972 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC000305401909 1021376199 /nfs/dbraw/zinc/37/61/99/1021376199.db2.gz NLYXXPZQSDWOKK-SECBINFHSA-N 1 2 326.131 3.972 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000516390499 1021385312 /nfs/dbraw/zinc/38/53/12/1021385312.db2.gz YEAACDITGYUEBM-VQIMIIECSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1nn(C)cc1C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000426391955 1021445785 /nfs/dbraw/zinc/44/57/85/1021445785.db2.gz UMXCMGAPWYKNNW-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000426391955 1021445796 /nfs/dbraw/zinc/44/57/96/1021445796.db2.gz UMXCMGAPWYKNNW-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1=C(C)CCC1 ZINC000437007763 1021464653 /nfs/dbraw/zinc/46/46/53/1021464653.db2.gz LAQVDCWJVJDDKZ-UHFFFAOYSA-N 1 2 327.472 3.647 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480080 1021487438 /nfs/dbraw/zinc/48/74/38/1021487438.db2.gz BWKULRPASAQHMC-VXGBXAGGSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480080 1021487443 /nfs/dbraw/zinc/48/74/43/1021487443.db2.gz BWKULRPASAQHMC-VXGBXAGGSA-N 1 2 345.270 3.821 20 0 EHADLO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000439483546 1021490366 /nfs/dbraw/zinc/49/03/66/1021490366.db2.gz LEHZYAWLNXQVGG-LBPRGKRZSA-N 1 2 348.468 3.647 20 0 EHADLO CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000439483546 1021490373 /nfs/dbraw/zinc/49/03/73/1021490373.db2.gz LEHZYAWLNXQVGG-LBPRGKRZSA-N 1 2 348.468 3.647 20 0 EHADLO C[C@@]1([NH2+]Cc2nnc(-c3cccc(F)c3)o2)CCOc2ccccc21 ZINC000933371842 1021499827 /nfs/dbraw/zinc/49/98/27/1021499827.db2.gz SSDWHLZEBXIWTG-LJQANCHMSA-N 1 2 339.370 3.663 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000139653987 1032988200 /nfs/dbraw/zinc/98/82/00/1032988200.db2.gz HJFYUNJJTQDMSM-AWEZNQCLSA-N 1 2 336.382 3.760 20 0 EHADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000518789209 1021563578 /nfs/dbraw/zinc/56/35/78/1021563578.db2.gz DTNGVPLTYZWISX-CYBMUJFWSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000518789209 1021563591 /nfs/dbraw/zinc/56/35/91/1021563591.db2.gz DTNGVPLTYZWISX-CYBMUJFWSA-N 1 2 332.444 3.639 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518841112 1021619637 /nfs/dbraw/zinc/61/96/37/1021619637.db2.gz ILUUIINNTHARBM-QWRGUYRKSA-N 1 2 346.805 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518841112 1021619643 /nfs/dbraw/zinc/61/96/43/1021619643.db2.gz ILUUIINNTHARBM-QWRGUYRKSA-N 1 2 346.805 3.653 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(SC)cc1OC ZINC000289081176 1021664353 /nfs/dbraw/zinc/66/43/53/1021664353.db2.gz AXQNHFLUKZTWNI-HNNXBMFYSA-N 1 2 347.484 3.876 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(SC)cc1OC ZINC000289081176 1021664362 /nfs/dbraw/zinc/66/43/62/1021664362.db2.gz AXQNHFLUKZTWNI-HNNXBMFYSA-N 1 2 347.484 3.876 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2ocnc2C)c(OC(F)F)c1 ZINC000894330823 1021672946 /nfs/dbraw/zinc/67/29/46/1021672946.db2.gz WGTNRBOZCAZJBN-UHFFFAOYSA-N 1 2 326.343 3.663 20 0 EHADLO Cc1cc(Br)cn2c(CNC(C)(C)C(F)F)c[nH+]c12 ZINC000684413217 1021675113 /nfs/dbraw/zinc/67/51/13/1021675113.db2.gz BNEDREYAWHYWRV-UHFFFAOYSA-N 1 2 332.192 3.539 20 0 EHADLO Cc1csc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000449666038 1033000646 /nfs/dbraw/zinc/00/06/46/1033000646.db2.gz GLTQARHNCSVXKZ-AWEZNQCLSA-N 1 2 331.268 3.756 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437355168 1021752377 /nfs/dbraw/zinc/75/23/77/1021752377.db2.gz UIBYQOBLRDVZFQ-MLGOLLRUSA-N 1 2 341.860 3.505 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001167483140 1021766566 /nfs/dbraw/zinc/76/65/66/1021766566.db2.gz UGIMVELBQXDIAS-MRXNPFEDSA-N 1 2 346.833 3.874 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001167483140 1021766583 /nfs/dbraw/zinc/76/65/83/1021766583.db2.gz UGIMVELBQXDIAS-MRXNPFEDSA-N 1 2 346.833 3.874 20 0 EHADLO FC(F)(F)c1cc(C[NH2+][C@H](c2ccccc2)c2cccnc2)[nH]n1 ZINC000440809064 1021800281 /nfs/dbraw/zinc/80/02/81/1021800281.db2.gz RNYCWPWRCAMXJL-MRXNPFEDSA-N 1 2 332.329 3.703 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000516870540 1021802991 /nfs/dbraw/zinc/80/29/91/1021802991.db2.gz GJWDIHCQWQVPRY-INIZCTEOSA-N 1 2 343.471 3.921 20 0 EHADLO CCN(C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000519957731 1021808040 /nfs/dbraw/zinc/80/80/40/1021808040.db2.gz UILPQJQFXOZCEV-INIZCTEOSA-N 1 2 340.467 3.692 20 0 EHADLO CCN(C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000519957731 1021808052 /nfs/dbraw/zinc/80/80/52/1021808052.db2.gz UILPQJQFXOZCEV-INIZCTEOSA-N 1 2 340.467 3.692 20 0 EHADLO CC(C)CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCCc2cccnc21 ZINC000516876534 1021808474 /nfs/dbraw/zinc/80/84/74/1021808474.db2.gz ACKYPSOQGSYSHR-QAPCUYQASA-N 1 2 340.471 3.546 20 0 EHADLO CC(C)CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCCc2cccnc21 ZINC000516876534 1021808482 /nfs/dbraw/zinc/80/84/82/1021808482.db2.gz ACKYPSOQGSYSHR-QAPCUYQASA-N 1 2 340.471 3.546 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000516924642 1021858042 /nfs/dbraw/zinc/85/80/42/1021858042.db2.gz USPJYZUKWRJHJE-SFHVURJKSA-N 1 2 334.822 3.799 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000516924642 1021858054 /nfs/dbraw/zinc/85/80/54/1021858054.db2.gz USPJYZUKWRJHJE-SFHVURJKSA-N 1 2 334.822 3.799 20 0 EHADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000516930220 1021866247 /nfs/dbraw/zinc/86/62/47/1021866247.db2.gz HPDZHYLQEXNFEQ-GFCCVEGCSA-N 1 2 325.334 3.906 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000441010956 1021926524 /nfs/dbraw/zinc/92/65/24/1021926524.db2.gz PDYGBSLBBCCQDD-KDOFPFPSSA-N 1 2 336.426 3.750 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000441010956 1021926529 /nfs/dbraw/zinc/92/65/29/1021926529.db2.gz PDYGBSLBBCCQDD-KDOFPFPSSA-N 1 2 336.426 3.750 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccc(F)cc2)no1 ZINC000516994506 1021928388 /nfs/dbraw/zinc/92/83/88/1021928388.db2.gz KCMFMNPQUHTLOH-UHFFFAOYSA-N 1 2 344.296 3.860 20 0 EHADLO C[N@H+](Cc1cc(F)ccc1Br)[C@@H](CO)c1ccccc1 ZINC000519202333 1021931125 /nfs/dbraw/zinc/93/11/25/1021931125.db2.gz LHLAPSZRHMRWGF-INIZCTEOSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1cc(F)ccc1Br)[C@@H](CO)c1ccccc1 ZINC000519202333 1021931132 /nfs/dbraw/zinc/93/11/32/1021931132.db2.gz LHLAPSZRHMRWGF-INIZCTEOSA-N 1 2 338.220 3.754 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1OC ZINC000341458449 1021951022 /nfs/dbraw/zinc/95/10/22/1021951022.db2.gz CTGWQWKHKWEDHU-LBPRGKRZSA-N 1 2 343.383 3.588 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000437579187 1021965919 /nfs/dbraw/zinc/96/59/19/1021965919.db2.gz KXOSUJMVEGUBJS-UHFFFAOYSA-N 1 2 340.452 3.517 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000437579187 1021965950 /nfs/dbraw/zinc/96/59/50/1021965950.db2.gz KXOSUJMVEGUBJS-UHFFFAOYSA-N 1 2 340.452 3.517 20 0 EHADLO CCCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccccc1 ZINC000440137945 1021966065 /nfs/dbraw/zinc/96/60/65/1021966065.db2.gz UGXGYQGPRVYFDP-AEFFLSMTSA-N 1 2 325.456 3.835 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1nccn1C ZINC000593724797 1033019638 /nfs/dbraw/zinc/01/96/38/1033019638.db2.gz ZWIBMWPJUVGSTP-IAOVAPTHSA-N 1 2 341.455 3.641 20 0 EHADLO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000506771625 1021985592 /nfs/dbraw/zinc/98/55/92/1021985592.db2.gz HJTNYMCRMHGYAH-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000506771625 1021985599 /nfs/dbraw/zinc/98/55/99/1021985599.db2.gz HJTNYMCRMHGYAH-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO O=C(Nc1nc2c(s1)CCCC2)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000426619045 1022046691 /nfs/dbraw/zinc/04/66/91/1022046691.db2.gz ORJOZEOTMQIGNZ-UHFFFAOYSA-N 1 2 339.424 3.852 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCOCC1 ZINC000517133686 1022056421 /nfs/dbraw/zinc/05/64/21/1022056421.db2.gz KOYWRCHTIVROPG-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO Brc1ccc2onc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000290653308 1022066377 /nfs/dbraw/zinc/06/63/77/1022066377.db2.gz PBHPFDOUWKAHNS-UHFFFAOYSA-N 1 2 347.216 3.628 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)c1 ZINC000437702252 1022071014 /nfs/dbraw/zinc/07/10/14/1022071014.db2.gz RMJRADONJNFJDO-CQSZACIVSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)c1 ZINC000437702252 1022071032 /nfs/dbraw/zinc/07/10/32/1022071032.db2.gz RMJRADONJNFJDO-CQSZACIVSA-N 1 2 331.466 3.773 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)n1 ZINC000925023864 1022080652 /nfs/dbraw/zinc/08/06/52/1022080652.db2.gz PUTPHIUSABYOGO-HUUCEWRRSA-N 1 2 345.491 3.666 20 0 EHADLO Fc1ccccc1OCc1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000188349700 1022100994 /nfs/dbraw/zinc/10/09/94/1022100994.db2.gz WWUMLZGSZPDHFQ-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO COC(=O)c1ccc(OCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000441309227 1022143411 /nfs/dbraw/zinc/14/34/11/1022143411.db2.gz INBVEGCZJGBOLW-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)ccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000578229861 1022143869 /nfs/dbraw/zinc/14/38/69/1022143869.db2.gz PVMUGKCBLBPJTF-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)ccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000578229861 1022143878 /nfs/dbraw/zinc/14/38/78/1022143878.db2.gz PVMUGKCBLBPJTF-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2ccncc2OCC(F)F)s1 ZINC000441391197 1022207213 /nfs/dbraw/zinc/20/72/13/1022207213.db2.gz ZQLIQHUEJYQBRC-UHFFFAOYSA-N 1 2 327.400 3.595 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)c1 ZINC000187707136 1022223062 /nfs/dbraw/zinc/22/30/62/1022223062.db2.gz ZRBPRQOFQBSNCI-SNVBAGLBSA-N 1 2 345.251 3.914 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c(C)[nH+]1 ZINC000471790691 1022223852 /nfs/dbraw/zinc/22/38/52/1022223852.db2.gz SHGKHTSVFLCRLC-UHFFFAOYSA-N 1 2 348.328 3.926 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000255380388 1022255183 /nfs/dbraw/zinc/25/51/83/1022255183.db2.gz PGNDPDZZZPWQPS-IFCKCIONSA-N 1 2 341.842 3.533 20 0 EHADLO CC(C)Oc1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000581907165 1022271902 /nfs/dbraw/zinc/27/19/02/1022271902.db2.gz DWURCGDXKBAOAV-IBGZPJMESA-N 1 2 336.439 3.514 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cn4cc(C)ccc4n3)CCCC2)n1 ZINC000084094269 1022272246 /nfs/dbraw/zinc/27/22/46/1022272246.db2.gz YRVFWEGSQHDPGA-UHFFFAOYSA-N 1 2 326.469 3.967 20 0 EHADLO c1cn(C2CC2)c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)n1 ZINC000894457418 1022309084 /nfs/dbraw/zinc/30/90/84/1022309084.db2.gz BTMWBVSPJUJGMY-UHFFFAOYSA-N 1 2 332.451 3.858 20 0 EHADLO c1cn(C2CC2)c(C[N@H+](CCc2ccccc2)Cc2ccncc2)n1 ZINC000894457418 1022309097 /nfs/dbraw/zinc/30/90/97/1022309097.db2.gz BTMWBVSPJUJGMY-UHFFFAOYSA-N 1 2 332.451 3.858 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)s1 ZINC000438114052 1022399010 /nfs/dbraw/zinc/39/90/10/1022399010.db2.gz HGMDTNUPMOAKKL-UHFFFAOYSA-N 1 2 344.459 3.648 20 0 EHADLO COC(=O)c1cnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)s1 ZINC000894531842 1022493179 /nfs/dbraw/zinc/49/31/79/1022493179.db2.gz FUQXHKVXBRNUMV-UHFFFAOYSA-N 1 2 344.358 3.547 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(F)(F)CC1 ZINC000438300942 1022542062 /nfs/dbraw/zinc/54/20/62/1022542062.db2.gz FTFYVBAJLPBKCL-CQSZACIVSA-N 1 2 331.790 3.592 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000438302124 1022542438 /nfs/dbraw/zinc/54/24/38/1022542438.db2.gz HSHGRCOKFBYDGV-CLCXKQKWSA-N 1 2 329.415 3.692 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c1C ZINC000051333835 1022548066 /nfs/dbraw/zinc/54/80/66/1022548066.db2.gz OENKNFSHUDFJTG-HNNXBMFYSA-N 1 2 327.428 3.576 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000276742776 1022554793 /nfs/dbraw/zinc/55/47/93/1022554793.db2.gz ZMQUFBYKMVXUSB-TZMCWYRMSA-N 1 2 341.484 3.583 20 0 EHADLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1c1ccncc1 ZINC000664831077 1022559983 /nfs/dbraw/zinc/55/99/83/1022559983.db2.gz ZPTCQENDJLNOKE-LBPRGKRZSA-N 1 2 338.320 3.679 20 0 EHADLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1c1ccncc1 ZINC000664831077 1022559986 /nfs/dbraw/zinc/55/99/86/1022559986.db2.gz ZPTCQENDJLNOKE-LBPRGKRZSA-N 1 2 338.320 3.679 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3ccccc3C2)CCCN1c1ccccc1Cl ZINC000303870602 1022586428 /nfs/dbraw/zinc/58/64/28/1022586428.db2.gz HTRDGCBTBKNIJG-LJQANCHMSA-N 1 2 340.854 3.894 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3ccccc3C2)CCCN1c1ccccc1Cl ZINC000303870602 1022586439 /nfs/dbraw/zinc/58/64/39/1022586439.db2.gz HTRDGCBTBKNIJG-LJQANCHMSA-N 1 2 340.854 3.894 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000330647413 1022628054 /nfs/dbraw/zinc/62/80/54/1022628054.db2.gz JGRPMFCOXXNDCK-NWDGAFQWSA-N 1 2 335.835 3.950 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000330647413 1022628062 /nfs/dbraw/zinc/62/80/62/1022628062.db2.gz JGRPMFCOXXNDCK-NWDGAFQWSA-N 1 2 335.835 3.950 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000430767502 1022670957 /nfs/dbraw/zinc/67/09/57/1022670957.db2.gz IZISBKDOPARHAT-UHFFFAOYSA-N 1 2 348.537 3.785 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430782988 1022691334 /nfs/dbraw/zinc/69/13/34/1022691334.db2.gz YPBLAWLVOCLKSI-UHFFFAOYSA-N 1 2 343.862 3.616 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430782988 1022691341 /nfs/dbraw/zinc/69/13/41/1022691341.db2.gz YPBLAWLVOCLKSI-UHFFFAOYSA-N 1 2 343.862 3.616 20 0 EHADLO Cc1cnc(C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)cn1 ZINC000438477762 1022714179 /nfs/dbraw/zinc/71/41/79/1022714179.db2.gz MIORLXLBJQBFEV-HNNXBMFYSA-N 1 2 348.244 3.503 20 0 EHADLO Cc1cnc(C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)cn1 ZINC000438477762 1022714195 /nfs/dbraw/zinc/71/41/95/1022714195.db2.gz MIORLXLBJQBFEV-HNNXBMFYSA-N 1 2 348.244 3.503 20 0 EHADLO O=C(C/C=C/c1ccccc1F)N1CC[NH+](Cc2cccs2)CC1 ZINC000426039409 1022733431 /nfs/dbraw/zinc/73/34/31/1022733431.db2.gz MENYKGFYRFHPGN-ZZXKWVIFSA-N 1 2 344.455 3.635 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000602699298 1033079508 /nfs/dbraw/zinc/07/95/08/1033079508.db2.gz MAQGARBQUZYMOY-BXUZGUMPSA-N 1 2 326.387 3.714 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000602699298 1033079525 /nfs/dbraw/zinc/07/95/25/1033079525.db2.gz MAQGARBQUZYMOY-BXUZGUMPSA-N 1 2 326.387 3.714 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000441446754 1022841714 /nfs/dbraw/zinc/84/17/14/1022841714.db2.gz LQUZTUVEDMJPDM-QAPCUYQASA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1oc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000441446754 1022841726 /nfs/dbraw/zinc/84/17/26/1022841726.db2.gz LQUZTUVEDMJPDM-QAPCUYQASA-N 1 2 343.423 3.645 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C3CC3)nn2C)o1 ZINC000517930525 1022843926 /nfs/dbraw/zinc/84/39/26/1022843926.db2.gz WNXMQMUBGKQAHD-INIZCTEOSA-N 1 2 328.460 3.965 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C3CC3)nn2C)o1 ZINC000517930525 1022843945 /nfs/dbraw/zinc/84/39/45/1022843945.db2.gz WNXMQMUBGKQAHD-INIZCTEOSA-N 1 2 328.460 3.965 20 0 EHADLO CCCc1csc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000426082287 1022848940 /nfs/dbraw/zinc/84/89/40/1022848940.db2.gz XHWZGDZUHLDCPE-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO CCCc1csc(C[N@@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000426082287 1022848963 /nfs/dbraw/zinc/84/89/63/1022848963.db2.gz XHWZGDZUHLDCPE-HNNXBMFYSA-N 1 2 332.469 3.758 20 0 EHADLO O[C@H](C1CC[NH+](Cc2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000305131789 1022863221 /nfs/dbraw/zinc/86/32/21/1022863221.db2.gz JYJUTXZUSYIUOL-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000517943124 1022870326 /nfs/dbraw/zinc/87/03/26/1022870326.db2.gz MACIKKMUBZBTAB-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000341659963 1022897472 /nfs/dbraw/zinc/89/74/72/1022897472.db2.gz PCHNIXPSIUYPCA-MRXNPFEDSA-N 1 2 334.423 3.610 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1)[NH+]1CCOCC1 ZINC000438651774 1022902094 /nfs/dbraw/zinc/90/20/94/1022902094.db2.gz BHRBXQHIQULJLI-CVEARBPZSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)oc21 ZINC000150069693 1033090728 /nfs/dbraw/zinc/09/07/28/1033090728.db2.gz JYSAWXLXZJXUPT-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO Cc1ccc(CCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)c(C)c1 ZINC000645383397 1022952419 /nfs/dbraw/zinc/95/24/19/1022952419.db2.gz ZIVNOPIFVKOBLH-LJQANCHMSA-N 1 2 338.430 3.872 20 0 EHADLO FC(F)(F)c1cccc(CC2C[NH+](Cc3nccn3C3CC3)C2)c1 ZINC000894819404 1022953255 /nfs/dbraw/zinc/95/32/55/1022953255.db2.gz JGYSOPLPTCSQNE-UHFFFAOYSA-N 1 2 335.373 3.911 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)NCCNc1cccc[nH+]1 ZINC000518133383 1023013205 /nfs/dbraw/zinc/01/32/05/1023013205.db2.gz MECRQAIAXONGIV-UHFFFAOYSA-N 1 2 337.467 3.974 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)n1 ZINC000891839171 1023020339 /nfs/dbraw/zinc/02/03/39/1023020339.db2.gz ZILYPZHLAQWDDJ-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438831358 1023048797 /nfs/dbraw/zinc/04/87/97/1023048797.db2.gz BQSSZHATDQNPFL-SJORKVTESA-N 1 2 337.448 3.662 20 0 EHADLO CC(C)(C)c1nc(CN2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000536369488 1023058556 /nfs/dbraw/zinc/05/85/56/1023058556.db2.gz NUYIWLLLYVALGP-UHFFFAOYSA-N 1 2 330.501 3.912 20 0 EHADLO CCc1nc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000341702306 1023062484 /nfs/dbraw/zinc/06/24/84/1023062484.db2.gz UNCKQTNOUFPFFC-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875730 1023065236 /nfs/dbraw/zinc/06/52/36/1023065236.db2.gz FBBMBPYCCCGWKW-WBVHZDCISA-N 1 2 326.444 3.907 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000426832872 1023081511 /nfs/dbraw/zinc/08/15/11/1023081511.db2.gz BAHFMXIRXYNMPU-LBPRGKRZSA-N 1 2 329.400 3.840 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891862965 1023121372 /nfs/dbraw/zinc/12/13/72/1023121372.db2.gz YCWZYAJRKQJZJY-KRWDZBQOSA-N 1 2 325.412 3.995 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OC)o1 ZINC000891862965 1023121374 /nfs/dbraw/zinc/12/13/74/1023121374.db2.gz YCWZYAJRKQJZJY-KRWDZBQOSA-N 1 2 325.412 3.995 20 0 EHADLO CN(c1cc[nH+]c2c(Br)cccc12)[C@H]1CC[C@H](O)CC1 ZINC000438895618 1023129870 /nfs/dbraw/zinc/12/98/70/1023129870.db2.gz NVEXTGVKSILHKA-HAQNSBGRSA-N 1 2 335.245 3.737 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2)c1C ZINC000053048070 1023144608 /nfs/dbraw/zinc/14/46/08/1023144608.db2.gz PXGYWIHRKYRSIV-OAHLLOKOSA-N 1 2 326.440 3.580 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2)c1C ZINC000053048070 1023144614 /nfs/dbraw/zinc/14/46/14/1023144614.db2.gz PXGYWIHRKYRSIV-OAHLLOKOSA-N 1 2 326.440 3.580 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000366740284 1023157049 /nfs/dbraw/zinc/15/70/49/1023157049.db2.gz TVPKEQRZCLCTMR-HFBDAHEESA-N 1 2 329.831 3.873 20 0 EHADLO Fc1ccc(-c2nc3ccc(F)cn3c2C[NH+]2CC(C(F)F)C2)cc1 ZINC000894830405 1023160481 /nfs/dbraw/zinc/16/04/81/1023160481.db2.gz NOMNAMHMIRIIAH-UHFFFAOYSA-N 1 2 349.331 3.976 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000190422742 1023199402 /nfs/dbraw/zinc/19/94/02/1023199402.db2.gz JCRGAONCQBQEMC-YESZJQIVSA-N 1 2 334.508 3.692 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)cc1F ZINC000610681939 1023199413 /nfs/dbraw/zinc/19/94/13/1023199413.db2.gz QZXJXFIACVABSU-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1F ZINC000610681939 1023199416 /nfs/dbraw/zinc/19/94/16/1023199416.db2.gz QZXJXFIACVABSU-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO O=C(NCc1ccoc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439025645 1023215887 /nfs/dbraw/zinc/21/58/87/1023215887.db2.gz YCESCIOHXFBNTO-UHFFFAOYSA-N 1 2 336.395 3.801 20 0 EHADLO CCCc1noc(C[NH2+][C@@H](C)c2ccc(SCCOC)cc2)n1 ZINC000341740204 1023224073 /nfs/dbraw/zinc/22/40/73/1023224073.db2.gz CZEGZUNJDKFECX-ZDUSSCGKSA-N 1 2 335.473 3.611 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1ccc(C)cc1OCCCC(C)C ZINC000638781956 1023232108 /nfs/dbraw/zinc/23/21/08/1023232108.db2.gz VVWKDBYOWDTTGO-UHFFFAOYSA-N 1 2 330.476 3.711 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c[nH+]1 ZINC000459074321 1023247937 /nfs/dbraw/zinc/24/79/37/1023247937.db2.gz KCVHWENJBTXVQB-DYVFJYSZSA-N 1 2 327.428 3.974 20 0 EHADLO CC(C)(CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000645393647 1023260917 /nfs/dbraw/zinc/26/09/17/1023260917.db2.gz XRHXYCWCDASTMO-INIZCTEOSA-N 1 2 326.469 3.913 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)ccn12 ZINC000518394627 1023282827 /nfs/dbraw/zinc/28/28/27/1023282827.db2.gz VTXQPSRGQSOSOJ-QAPCUYQASA-N 1 2 333.435 3.969 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000133253019 1023301884 /nfs/dbraw/zinc/30/18/84/1023301884.db2.gz VFHIDUKXVXIQSC-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)CCCc2ccccc2)[nH]c(C)c1C(C)=O ZINC000164884829 1033132470 /nfs/dbraw/zinc/13/24/70/1033132470.db2.gz MVXAWDTYQVGWEY-UHFFFAOYSA-N 1 2 340.467 3.835 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)CCCc2ccccc2)[nH]c(C)c1C(C)=O ZINC000164884829 1033132481 /nfs/dbraw/zinc/13/24/81/1033132481.db2.gz MVXAWDTYQVGWEY-UHFFFAOYSA-N 1 2 340.467 3.835 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341862905 1023484023 /nfs/dbraw/zinc/48/40/23/1023484023.db2.gz CPFRLHBGPXODMY-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000341871554 1023505695 /nfs/dbraw/zinc/50/56/95/1023505695.db2.gz NOYRDOGBBJPTLY-MRXNPFEDSA-N 1 2 335.494 3.797 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000341871554 1023505699 /nfs/dbraw/zinc/50/56/99/1023505699.db2.gz NOYRDOGBBJPTLY-MRXNPFEDSA-N 1 2 335.494 3.797 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000535681203 1023559643 /nfs/dbraw/zinc/55/96/43/1023559643.db2.gz QNKBZRLVXMJPAK-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000535681203 1023559647 /nfs/dbraw/zinc/55/96/47/1023559647.db2.gz QNKBZRLVXMJPAK-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001143417155 1023588854 /nfs/dbraw/zinc/58/88/54/1023588854.db2.gz AQCXQKZJOQLZBY-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001143417155 1023588862 /nfs/dbraw/zinc/58/88/62/1023588862.db2.gz AQCXQKZJOQLZBY-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c[nH+]1 ZINC000535772797 1023622804 /nfs/dbraw/zinc/62/28/04/1023622804.db2.gz RRJWCUFLSIFQKN-AWEZNQCLSA-N 1 2 331.416 3.618 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1cscn1 ZINC000535777394 1023628281 /nfs/dbraw/zinc/62/82/81/1023628281.db2.gz DCRCQILPUUHFAX-ZDUSSCGKSA-N 1 2 338.436 3.641 20 0 EHADLO OCC1(C[N@H+](Cc2csc(C3CC3)n2)Cc2ccccc2)CC1 ZINC000341951850 1023717101 /nfs/dbraw/zinc/71/71/01/1023717101.db2.gz NQWAKVUKUFAZLH-UHFFFAOYSA-N 1 2 328.481 3.795 20 0 EHADLO OCC1(C[N@@H+](Cc2csc(C3CC3)n2)Cc2ccccc2)CC1 ZINC000341951850 1023717106 /nfs/dbraw/zinc/71/71/06/1023717106.db2.gz NQWAKVUKUFAZLH-UHFFFAOYSA-N 1 2 328.481 3.795 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)C(C)(C)c2ccccc2)c[nH+]1 ZINC000458287134 1023859141 /nfs/dbraw/zinc/85/91/41/1023859141.db2.gz IYMICSOIYYTSSP-MRXNPFEDSA-N 1 2 325.456 3.864 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCc2ccns2)CC1 ZINC001167497457 1023869273 /nfs/dbraw/zinc/86/92/73/1023869273.db2.gz ZDMVRSLEIQKNGE-CQSZACIVSA-N 1 2 335.904 3.718 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2cc(F)ccc21 ZINC000342085466 1023893767 /nfs/dbraw/zinc/89/37/67/1023893767.db2.gz LDMTYXLNLJQBHU-MOPGFXCFSA-N 1 2 349.409 3.875 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000138408590 1033174000 /nfs/dbraw/zinc/17/40/00/1033174000.db2.gz NXWBGDLMIVMQEM-IBGZPJMESA-N 1 2 325.456 3.972 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000508445514 1023958423 /nfs/dbraw/zinc/95/84/23/1023958423.db2.gz KOBIGUHLVPCAEC-INIZCTEOSA-N 1 2 345.874 3.928 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000443808714 1023965326 /nfs/dbraw/zinc/96/53/26/1023965326.db2.gz ZPFMTEBQDSEXLD-UHFFFAOYSA-N 1 2 348.425 3.917 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513994718 1024022170 /nfs/dbraw/zinc/02/21/70/1024022170.db2.gz OWVWUJSVZABZSP-GOSISDBHSA-N 1 2 328.843 3.689 20 0 EHADLO O=C(CCCc1ccccc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513993831 1024023053 /nfs/dbraw/zinc/02/30/53/1024023053.db2.gz GBVYDXXARMWTQE-LJQANCHMSA-N 1 2 342.870 3.836 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000046469601 1033175135 /nfs/dbraw/zinc/17/51/35/1033175135.db2.gz FAQWVQCBUAWKCI-KRWDZBQOSA-N 1 2 326.444 3.608 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999287 1024041572 /nfs/dbraw/zinc/04/15/72/1024041572.db2.gz LHOMUEPILBFQJP-SJORKVTESA-N 1 2 332.875 3.783 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143592406 1024055342 /nfs/dbraw/zinc/05/53/42/1024055342.db2.gz RCKOWEBOVHYULN-UHFFFAOYSA-N 1 2 332.394 3.604 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000434472274 1024058664 /nfs/dbraw/zinc/05/86/64/1024058664.db2.gz YNWLDVUCEKBAQS-LLVKDONJSA-N 1 2 328.338 3.608 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000151201871 1024061465 /nfs/dbraw/zinc/06/14/65/1024061465.db2.gz VOICYSJNCMNSIO-XHBSWPGZSA-N 1 2 327.494 3.519 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000151201871 1024061476 /nfs/dbraw/zinc/06/14/76/1024061476.db2.gz VOICYSJNCMNSIO-XHBSWPGZSA-N 1 2 327.494 3.519 20 0 EHADLO CC[C@@](C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000151209202 1024063357 /nfs/dbraw/zinc/06/33/57/1024063357.db2.gz YKJDUFHMPWYPPN-GOSISDBHSA-N 1 2 340.452 3.692 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cccc(Cl)c3Cl)[C@H]2C1 ZINC000434474926 1024065849 /nfs/dbraw/zinc/06/58/49/1024065849.db2.gz TXOTUYIXPNBEEG-VNQPRFMTSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cccc(Cl)c3Cl)[C@H]2C1 ZINC000434474926 1024065868 /nfs/dbraw/zinc/06/58/68/1024065868.db2.gz TXOTUYIXPNBEEG-VNQPRFMTSA-N 1 2 344.282 3.804 20 0 EHADLO Cn1c(C[NH+]2CCC(F)(c3ccccc3)CC2)nnc1C1CCC1 ZINC000434490709 1024078628 /nfs/dbraw/zinc/07/86/28/1024078628.db2.gz FAIXIUYWHWWBGM-UHFFFAOYSA-N 1 2 328.435 3.543 20 0 EHADLO CCOCCCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443519779 1024085971 /nfs/dbraw/zinc/08/59/71/1024085971.db2.gz XGYHIQLQYZUYIM-UHFFFAOYSA-N 1 2 341.224 3.787 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(F)(c3ccccc3)CC2)n1 ZINC000434496980 1024099762 /nfs/dbraw/zinc/09/97/62/1024099762.db2.gz LMHUYHFGWHDYEY-CQSZACIVSA-N 1 2 333.407 3.628 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]1C1CCCC1)C2 ZINC000475028273 1024105938 /nfs/dbraw/zinc/10/59/38/1024105938.db2.gz ABGAOGNWJXNMPP-QAPCUYQASA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)CC2 ZINC000475028273 1024105941 /nfs/dbraw/zinc/10/59/41/1024105941.db2.gz ABGAOGNWJXNMPP-QAPCUYQASA-N 1 2 329.488 3.819 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000151383043 1024108807 /nfs/dbraw/zinc/10/88/07/1024108807.db2.gz NSPSUXSIMIXJKC-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO Cc1nn(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1-c1ccccc1 ZINC000443908302 1024111091 /nfs/dbraw/zinc/11/10/91/1024111091.db2.gz NTINXRFWPSHKQG-UHFFFAOYSA-N 1 2 345.406 3.682 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547508 1024130381 /nfs/dbraw/zinc/13/03/81/1024130381.db2.gz HBZUYOBEXWHKNH-CQSZACIVSA-N 1 2 337.895 3.528 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547508 1024130385 /nfs/dbraw/zinc/13/03/85/1024130385.db2.gz HBZUYOBEXWHKNH-CQSZACIVSA-N 1 2 337.895 3.528 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614701604 1024151044 /nfs/dbraw/zinc/15/10/44/1024151044.db2.gz YLTFIYXCVNLRCO-IBGZPJMESA-N 1 2 337.467 3.605 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000514125483 1024154057 /nfs/dbraw/zinc/15/40/57/1024154057.db2.gz VSHGGXCUWSYIJQ-INIZCTEOSA-N 1 2 326.440 3.853 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000514125483 1024154063 /nfs/dbraw/zinc/15/40/63/1024154063.db2.gz VSHGGXCUWSYIJQ-INIZCTEOSA-N 1 2 326.440 3.853 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000151538369 1024158591 /nfs/dbraw/zinc/15/85/91/1024158591.db2.gz BVLLRSKKUAQVGZ-QGZVFWFLSA-N 1 2 340.471 3.832 20 0 EHADLO CSc1ncc(C(=O)Nc2cc[nH+]c(C)c2)n1-c1ccc(F)cc1 ZINC000215619568 1024168649 /nfs/dbraw/zinc/16/86/49/1024168649.db2.gz JXYNIBHNBCHYDN-UHFFFAOYSA-N 1 2 342.399 3.689 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000192544650 1024178616 /nfs/dbraw/zinc/17/86/16/1024178616.db2.gz KJJGWTCUHZVBDR-OAHLLOKOSA-N 1 2 335.444 3.601 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000192544650 1024178627 /nfs/dbraw/zinc/17/86/27/1024178627.db2.gz KJJGWTCUHZVBDR-OAHLLOKOSA-N 1 2 335.444 3.601 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000343305195 1024181865 /nfs/dbraw/zinc/18/18/65/1024181865.db2.gz NQUYBQSCLPBGEU-UHFFFAOYSA-N 1 2 346.434 3.983 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000343305195 1024181872 /nfs/dbraw/zinc/18/18/72/1024181872.db2.gz NQUYBQSCLPBGEU-UHFFFAOYSA-N 1 2 346.434 3.983 20 0 EHADLO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(C3CCCC3)no2)cc1F ZINC000192141605 1024236882 /nfs/dbraw/zinc/23/68/82/1024236882.db2.gz LKHPDINSOVVMLE-WBVHZDCISA-N 1 2 349.381 3.625 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@H](C)C2CCCCC2)CC[NH2+]1 ZINC000505453056 1024238284 /nfs/dbraw/zinc/23/82/84/1024238284.db2.gz IDDUKJYBTRUAKG-QFBILLFUSA-N 1 2 344.499 3.775 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)cc1 ZINC000329952276 1024263833 /nfs/dbraw/zinc/26/38/33/1024263833.db2.gz MTSMQPZCMSRGAC-KEYYUXOJSA-N 1 2 327.428 3.605 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)cc1 ZINC000329952276 1024263848 /nfs/dbraw/zinc/26/38/48/1024263848.db2.gz MTSMQPZCMSRGAC-KEYYUXOJSA-N 1 2 327.428 3.605 20 0 EHADLO CN(c1nc(C[NH+]2CCC(F)(c3cccnc3)CC2)cs1)C1CC1 ZINC000342167257 1024280834 /nfs/dbraw/zinc/28/08/34/1024280834.db2.gz IWEOHLLWVUACSE-UHFFFAOYSA-N 1 2 346.475 3.598 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC[NH2+]1 ZINC000505468291 1024292228 /nfs/dbraw/zinc/29/22/28/1024292228.db2.gz JSGOBBFYSAFSKJ-NUJGCVRESA-N 1 2 344.499 3.631 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152388260 1024310655 /nfs/dbraw/zinc/31/06/55/1024310655.db2.gz SHFYRXLOIBTQJA-IRXDYDNUSA-N 1 2 332.806 3.654 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152388260 1024310673 /nfs/dbraw/zinc/31/06/73/1024310673.db2.gz SHFYRXLOIBTQJA-IRXDYDNUSA-N 1 2 332.806 3.654 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000459121986 1024311838 /nfs/dbraw/zinc/31/18/38/1024311838.db2.gz OCXNNLDMGOBAAY-MRXNPFEDSA-N 1 2 329.469 3.979 20 0 EHADLO C[C@@H](CCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505477019 1024320082 /nfs/dbraw/zinc/32/00/82/1024320082.db2.gz QHZPJGDWCHVYDO-OXJNMPFZSA-N 1 2 340.442 3.883 20 0 EHADLO COc1ncncc1C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000648013986 1024324473 /nfs/dbraw/zinc/32/44/73/1024324473.db2.gz YCBGAHGNGQMRFG-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO COc1ncncc1C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000648013986 1024324481 /nfs/dbraw/zinc/32/44/81/1024324481.db2.gz YCBGAHGNGQMRFG-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)cn1 ZINC000469791755 1024331542 /nfs/dbraw/zinc/33/15/42/1024331542.db2.gz QUCRKPILRFIBQM-XYPHTWIQSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)cn1 ZINC000469791755 1024331557 /nfs/dbraw/zinc/33/15/57/1024331557.db2.gz QUCRKPILRFIBQM-XYPHTWIQSA-N 1 2 334.435 3.696 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC000007048943 1024375805 /nfs/dbraw/zinc/37/58/05/1024375805.db2.gz OQSJLNNBKKAXHG-LBPRGKRZSA-N 1 2 338.436 3.640 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)o1 ZINC000520666525 1024384819 /nfs/dbraw/zinc/38/48/19/1024384819.db2.gz CSRGYPDAHUYIRS-HNAYVOBHSA-N 1 2 349.434 3.507 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)s1 ZINC000443676663 1024395220 /nfs/dbraw/zinc/39/52/20/1024395220.db2.gz WSOSHSAOAYTXRC-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO CCS(=O)(=O)C1CC[NH+](C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC000639108909 1024411909 /nfs/dbraw/zinc/41/19/09/1024411909.db2.gz NFESKZWJPRIULX-SREVYHEPSA-N 1 2 335.513 3.524 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+](C)C2Cc3ccccc3C2)no1 ZINC000434836794 1024449318 /nfs/dbraw/zinc/44/93/18/1024449318.db2.gz BSPYMKQIAXODDK-UHFFFAOYSA-N 1 2 333.435 3.568 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+](C)C2Cc3ccccc3C2)no1 ZINC000434836794 1024449330 /nfs/dbraw/zinc/44/93/30/1024449330.db2.gz BSPYMKQIAXODDK-UHFFFAOYSA-N 1 2 333.435 3.568 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CC[C@H](c4noc(C)n4)C3)c2c1 ZINC000895395586 1024465547 /nfs/dbraw/zinc/46/55/47/1024465547.db2.gz ANTRITYSTTVNTO-NSHDSACASA-N 1 2 344.802 3.582 20 0 EHADLO CCc1cnc(C[N@@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)s1 ZINC000346170800 1024485136 /nfs/dbraw/zinc/48/51/36/1024485136.db2.gz JYZKFNAJIUUWMR-KRWDZBQOSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1cnc(C[N@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)s1 ZINC000346170800 1024485146 /nfs/dbraw/zinc/48/51/46/1024485146.db2.gz JYZKFNAJIUUWMR-KRWDZBQOSA-N 1 2 346.496 3.895 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(C)cc1C)C1CC1 ZINC000052183622 1024499133 /nfs/dbraw/zinc/49/91/33/1024499133.db2.gz FPPYUWLCUNQWSZ-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(C)cc1C)C1CC1 ZINC000052183622 1024499141 /nfs/dbraw/zinc/49/91/41/1024499141.db2.gz FPPYUWLCUNQWSZ-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(SC)c(OC)c2)CCN1CC(F)F ZINC000346212294 1024502232 /nfs/dbraw/zinc/50/22/32/1024502232.db2.gz QBWGBPVIGHIJCO-AWEZNQCLSA-N 1 2 344.471 3.578 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(SC)c(OC)c2)CCN1CC(F)F ZINC000346212294 1024502243 /nfs/dbraw/zinc/50/22/43/1024502243.db2.gz QBWGBPVIGHIJCO-AWEZNQCLSA-N 1 2 344.471 3.578 20 0 EHADLO CC[C@H](CC(F)(F)F)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425255474 1024520111 /nfs/dbraw/zinc/52/01/11/1024520111.db2.gz MYNJDCXPTFWJGU-KGLIPLIRSA-N 1 2 339.361 3.779 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000895454182 1024531014 /nfs/dbraw/zinc/53/10/14/1024531014.db2.gz WBPMCIFCHWYUSS-UHFFFAOYSA-N 1 2 340.254 3.892 20 0 EHADLO O=C(c1ccccc1)N1CC[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000282309053 1024534547 /nfs/dbraw/zinc/53/45/47/1024534547.db2.gz YCFDVTRSPYTCOA-OAHLLOKOSA-N 1 2 337.448 3.589 20 0 EHADLO C[NH+](C)Cc1csc(CNc2cc(C(C)(C)C)nc(Cl)n2)n1 ZINC000895479907 1024552287 /nfs/dbraw/zinc/55/22/87/1024552287.db2.gz WZKCYLBNLIEOOH-UHFFFAOYSA-N 1 2 339.896 3.558 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000353460900 1024555387 /nfs/dbraw/zinc/55/53/87/1024555387.db2.gz LXKONMVPOMYACA-UHFFFAOYSA-N 1 2 325.359 3.754 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000353460900 1024555392 /nfs/dbraw/zinc/55/53/92/1024555392.db2.gz LXKONMVPOMYACA-UHFFFAOYSA-N 1 2 325.359 3.754 20 0 EHADLO c1ccc(CC[N@H+](Cc2n[nH]c3ccccc23)Cc2cccnc2)nc1 ZINC000684683365 1024569524 /nfs/dbraw/zinc/56/95/24/1024569524.db2.gz KTYCOEKWPGLOTC-UHFFFAOYSA-N 1 2 343.434 3.598 20 0 EHADLO c1ccc(CC[N@@H+](Cc2n[nH]c3ccccc23)Cc2cccnc2)nc1 ZINC000684683365 1024569527 /nfs/dbraw/zinc/56/95/27/1024569527.db2.gz KTYCOEKWPGLOTC-UHFFFAOYSA-N 1 2 343.434 3.598 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000897879438 1033221394 /nfs/dbraw/zinc/22/13/94/1033221394.db2.gz HBUVOBFJLXKNRC-ROUUACIJSA-N 1 2 325.456 3.627 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2ccc(Cl)cc2OC(C)C)c1 ZINC000895539340 1024598432 /nfs/dbraw/zinc/59/84/32/1024598432.db2.gz TXXIZLUTKREEDQ-UHFFFAOYSA-N 1 2 338.810 3.960 20 0 EHADLO Cc1c2cc(C)ccc2sc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000346301707 1024610221 /nfs/dbraw/zinc/61/02/21/1024610221.db2.gz QEGRSJCYBSUOCQ-UHFFFAOYSA-N 1 2 327.453 3.877 20 0 EHADLO CC1(C)CC=C(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000614670507 1024637952 /nfs/dbraw/zinc/63/79/52/1024637952.db2.gz VNGSVOXNOVZHCC-UHFFFAOYSA-N 1 2 347.528 3.744 20 0 EHADLO Cc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccn1C(C)C ZINC000346316788 1024642584 /nfs/dbraw/zinc/64/25/84/1024642584.db2.gz UQJMICTVBORBFV-UHFFFAOYSA-N 1 2 342.487 3.907 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000281113137 1024669280 /nfs/dbraw/zinc/66/92/80/1024669280.db2.gz ABACRFXAJDBNOZ-UHFFFAOYSA-N 1 2 339.281 3.505 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000281113137 1024669288 /nfs/dbraw/zinc/66/92/88/1024669288.db2.gz ABACRFXAJDBNOZ-UHFFFAOYSA-N 1 2 339.281 3.505 20 0 EHADLO CC(C)c1cc(N2CCC(c3ccn(C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000895644018 1024687146 /nfs/dbraw/zinc/68/71/46/1024687146.db2.gz ZLJBKBBMSIWLMV-UHFFFAOYSA-N 1 2 327.476 3.841 20 0 EHADLO CC[C@@H](C)c1ncc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425304292 1024722130 /nfs/dbraw/zinc/72/21/30/1024722130.db2.gz PXVRPKCYEQTOAF-RHSMWYFYSA-N 1 2 349.438 3.874 20 0 EHADLO c1cc(C2CCC2)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000685349156 1033232581 /nfs/dbraw/zinc/23/25/81/1033232581.db2.gz JTEGJVNVODLBLZ-ZWKOTPCHSA-N 1 2 339.439 3.930 20 0 EHADLO c1cc(C2CCC2)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000685349156 1033232594 /nfs/dbraw/zinc/23/25/94/1033232594.db2.gz JTEGJVNVODLBLZ-ZWKOTPCHSA-N 1 2 339.439 3.930 20 0 EHADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425320137 1024757834 /nfs/dbraw/zinc/75/78/34/1024757834.db2.gz WYYZSZZKHGQONG-ABSDTBQOSA-N 1 2 325.456 3.873 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277363787 1024758611 /nfs/dbraw/zinc/75/86/11/1024758611.db2.gz FARKREWVCRKRFR-GYCJOSAFSA-N 1 2 343.492 3.705 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277363787 1024758624 /nfs/dbraw/zinc/75/86/24/1024758624.db2.gz FARKREWVCRKRFR-GYCJOSAFSA-N 1 2 343.492 3.705 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)NCc3c[nH+]cn3C(C)C)n2)cc1F ZINC000425336490 1024780554 /nfs/dbraw/zinc/78/05/54/1024780554.db2.gz LHNOXKGKBLZSDR-ZDUSSCGKSA-N 1 2 343.406 3.812 20 0 EHADLO O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594169499 1033234868 /nfs/dbraw/zinc/23/48/68/1033234868.db2.gz JDNYNIAAGYVNJJ-UHFFFAOYSA-N 1 2 343.386 3.620 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000346490923 1024801231 /nfs/dbraw/zinc/80/12/31/1024801231.db2.gz KTZHGOBNEXSLDV-SWLSCSKDSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346490923 1024801252 /nfs/dbraw/zinc/80/12/52/1024801252.db2.gz KTZHGOBNEXSLDV-SWLSCSKDSA-N 1 2 346.254 3.708 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000514860845 1024816804 /nfs/dbraw/zinc/81/68/04/1024816804.db2.gz KJTUWFGMLQALNT-RISCZKNCSA-N 1 2 336.798 3.791 20 0 EHADLO Fc1cccnc1N1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892119399 1024842005 /nfs/dbraw/zinc/84/20/05/1024842005.db2.gz BXFZJWMAXMIAMT-UHFFFAOYSA-N 1 2 339.336 3.620 20 0 EHADLO O=C([C@@H]1CC12CCC2)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684709473 1024846152 /nfs/dbraw/zinc/84/61/52/1024846152.db2.gz QMKWFVSXWSHGBG-KRWDZBQOSA-N 1 2 343.858 3.756 20 0 EHADLO Cc1cn2cc(NC(=O)NCC3(c4ccccc4)CCC3)ccc2[nH+]1 ZINC000346540699 1024847508 /nfs/dbraw/zinc/84/75/08/1024847508.db2.gz HQVDHPBLNQNOAP-UHFFFAOYSA-N 1 2 334.423 3.886 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428002764 1024922400 /nfs/dbraw/zinc/92/24/00/1024922400.db2.gz ZMILXVLHYARLGC-IBGZPJMESA-N 1 2 339.483 3.536 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435445094 1024932230 /nfs/dbraw/zinc/93/22/30/1024932230.db2.gz UVSWPANDIDBWBD-UHFFFAOYSA-N 1 2 349.214 3.743 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000639365559 1024961828 /nfs/dbraw/zinc/96/18/28/1024961828.db2.gz DUESTUOUAQWMAI-IRXDYDNUSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000639365559 1024961834 /nfs/dbraw/zinc/96/18/34/1024961834.db2.gz DUESTUOUAQWMAI-IRXDYDNUSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)[C@H]1CCc1ccccc1 ZINC000895909397 1024968195 /nfs/dbraw/zinc/96/81/95/1024968195.db2.gz OFCPORHANVWQHA-LSDHHAIUSA-N 1 2 336.888 3.755 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)[C@H]1CCc1ccccc1 ZINC000895909397 1024968207 /nfs/dbraw/zinc/96/82/07/1024968207.db2.gz OFCPORHANVWQHA-LSDHHAIUSA-N 1 2 336.888 3.755 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC000277405449 1024990273 /nfs/dbraw/zinc/99/02/73/1024990273.db2.gz LDQILJBCEITYCI-RKDXNWHRSA-N 1 2 343.294 3.993 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375661203 1025008651 /nfs/dbraw/zinc/00/86/51/1025008651.db2.gz TZSNTBKDXWVEKW-OAHLLOKOSA-N 1 2 340.423 3.713 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000375661203 1025008660 /nfs/dbraw/zinc/00/86/60/1025008660.db2.gz TZSNTBKDXWVEKW-OAHLLOKOSA-N 1 2 340.423 3.713 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408852 1025011339 /nfs/dbraw/zinc/01/13/39/1025011339.db2.gz NZEMXSKYCLBRKE-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408852 1025011353 /nfs/dbraw/zinc/01/13/53/1025011353.db2.gz NZEMXSKYCLBRKE-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000515096873 1025017571 /nfs/dbraw/zinc/01/75/71/1025017571.db2.gz WZSLXZINNXQXNM-ZBFHGGJFSA-N 1 2 338.386 3.931 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4C[C@@]4(F)c4ccccc4)n3)[nH+]c12 ZINC000515146094 1025043582 /nfs/dbraw/zinc/04/35/82/1025043582.db2.gz FRGMGUMWHCIUKY-OXQOHEQNSA-N 1 2 348.381 3.969 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cccc(C(=O)OC)c2Cl)c1C ZINC000602925996 1033257360 /nfs/dbraw/zinc/25/73/60/1033257360.db2.gz MQVWCEYNJHCWQZ-UHFFFAOYSA-N 1 2 349.862 3.592 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)c1C ZINC000602925996 1033257374 /nfs/dbraw/zinc/25/73/74/1033257374.db2.gz MQVWCEYNJHCWQZ-UHFFFAOYSA-N 1 2 349.862 3.592 20 0 EHADLO Cn1ccc([C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2ccc(F)cc2)n1 ZINC000665269202 1025108529 /nfs/dbraw/zinc/10/85/29/1025108529.db2.gz BHXBBEVQIJHROG-QUCCMNQESA-N 1 2 336.414 3.508 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(C(C)(C)C)n1 ZINC000277443414 1025115109 /nfs/dbraw/zinc/11/51/09/1025115109.db2.gz FNHPYQORAIHREO-UHFFFAOYSA-N 1 2 348.516 3.752 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000346778014 1025115357 /nfs/dbraw/zinc/11/53/57/1025115357.db2.gz LCHRAXWEKOFTBK-UHFFFAOYSA-N 1 2 334.423 3.548 20 0 EHADLO CO[C@](C)(c1nc(Cc2cn3cccc(C)c3[nH+]2)no1)c1ccccc1 ZINC000896065156 1025117848 /nfs/dbraw/zinc/11/78/48/1025117848.db2.gz IKYAJFNYRIVTPW-FQEVSTJZSA-N 1 2 348.406 3.526 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc2[nH+]ccn21 ZINC000435817982 1025152052 /nfs/dbraw/zinc/15/20/52/1025152052.db2.gz LEWXQUSGXCNGQA-AWEZNQCLSA-N 1 2 331.375 3.894 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(Br)s1 ZINC000443997177 1025158085 /nfs/dbraw/zinc/15/80/85/1025158085.db2.gz LQDDTJDEZDFQCS-VIFPVBQESA-N 1 2 336.258 3.992 20 0 EHADLO COc1ccc2oc([C@@H](C)NC(=O)C[C@@H](C)n3cc[nH+]c3)c(C)c2c1 ZINC000515303600 1025163306 /nfs/dbraw/zinc/16/33/06/1025163306.db2.gz IKYMDBAGOQCQRA-TZMCWYRMSA-N 1 2 341.411 3.775 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000342391147 1025166205 /nfs/dbraw/zinc/16/62/05/1025166205.db2.gz GGPRNMRLWMZSFW-INIZCTEOSA-N 1 2 344.430 3.565 20 0 EHADLO CC(C)(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccs1 ZINC000544024785 1025170081 /nfs/dbraw/zinc/17/00/81/1025170081.db2.gz OVBJNRYKFHZHAN-UHFFFAOYSA-N 1 2 345.512 3.941 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444033814 1025192636 /nfs/dbraw/zinc/19/26/36/1025192636.db2.gz OSYXSJLMTPRIQM-SJORKVTESA-N 1 2 334.508 3.910 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000190965286 1025199745 /nfs/dbraw/zinc/19/97/45/1025199745.db2.gz VCMWATHPXNVZMA-MRXNPFEDSA-N 1 2 331.504 3.784 20 0 EHADLO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000190965286 1025199753 /nfs/dbraw/zinc/19/97/53/1025199753.db2.gz VCMWATHPXNVZMA-MRXNPFEDSA-N 1 2 331.504 3.784 20 0 EHADLO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000190965286 1025199758 /nfs/dbraw/zinc/19/97/58/1025199758.db2.gz VCMWATHPXNVZMA-MRXNPFEDSA-N 1 2 331.504 3.784 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000442212570 1025205888 /nfs/dbraw/zinc/20/58/88/1025205888.db2.gz GTZWKWWJVVLACS-UHFFFAOYSA-N 1 2 340.761 3.753 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000442212570 1025205893 /nfs/dbraw/zinc/20/58/93/1025205893.db2.gz GTZWKWWJVVLACS-UHFFFAOYSA-N 1 2 340.761 3.753 20 0 EHADLO CC[C@](C)(O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000435911328 1025212931 /nfs/dbraw/zinc/21/29/31/1025212931.db2.gz KYJWOVNRXTVATI-QFIPXVFZSA-N 1 2 336.479 3.535 20 0 EHADLO CCCCC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000152117091 1025214748 /nfs/dbraw/zinc/21/47/48/1025214748.db2.gz KPEHUYGSLJISSR-HKUYNNGSSA-N 1 2 325.456 3.883 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657329993 1025217336 /nfs/dbraw/zinc/21/73/36/1025217336.db2.gz YJZZHDGWHJHPGN-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)C(C)(C)C ZINC000897995582 1033267203 /nfs/dbraw/zinc/26/72/03/1033267203.db2.gz QNPGWTQXLOYZFH-MRXNPFEDSA-N 1 2 347.484 3.769 20 0 EHADLO CC(=O)N1CC[NH+](Cc2cccc(SCc3ccccc3)c2)CC1 ZINC000346866840 1025238620 /nfs/dbraw/zinc/23/86/20/1025238620.db2.gz GKAGDZZRKGWYED-UHFFFAOYSA-N 1 2 340.492 3.643 20 0 EHADLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2sccc2C)c1 ZINC000444066087 1025260711 /nfs/dbraw/zinc/26/07/11/1025260711.db2.gz VAWPYXUKEGTNNH-UHFFFAOYSA-N 1 2 338.498 3.699 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@](C)(CC)c2ccc(F)cc2)cs1 ZINC000602925646 1033271704 /nfs/dbraw/zinc/27/17/04/1033271704.db2.gz KMRPPUKHFQJTNX-QGZVFWFLSA-N 1 2 336.432 3.874 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)oc1C ZINC000582099839 1025297516 /nfs/dbraw/zinc/29/75/16/1025297516.db2.gz OIQQRVXMAHYSIN-JLTOFOAXSA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@@](C)(c3ccccc3)C2)oc1C ZINC000582099839 1025297530 /nfs/dbraw/zinc/29/75/30/1025297530.db2.gz OIQQRVXMAHYSIN-JLTOFOAXSA-N 1 2 343.423 3.683 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000469821426 1025304088 /nfs/dbraw/zinc/30/40/88/1025304088.db2.gz QPCLTOGZFPSKMO-FYMGVEODSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000469821426 1025304099 /nfs/dbraw/zinc/30/40/99/1025304099.db2.gz QPCLTOGZFPSKMO-FYMGVEODSA-N 1 2 336.426 3.653 20 0 EHADLO CCCCOc1ncccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000346933800 1025326100 /nfs/dbraw/zinc/32/61/00/1025326100.db2.gz CJQQDQYPLLFTNF-UHFFFAOYSA-N 1 2 341.459 3.653 20 0 EHADLO CCCCOc1ncccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000346933800 1025326114 /nfs/dbraw/zinc/32/61/14/1025326114.db2.gz CJQQDQYPLLFTNF-UHFFFAOYSA-N 1 2 341.459 3.653 20 0 EHADLO COc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1OC1CCCC1 ZINC000281655349 1025338584 /nfs/dbraw/zinc/33/85/84/1025338584.db2.gz KHNZWOQEMQJGPX-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000285425237 1025352776 /nfs/dbraw/zinc/35/27/76/1025352776.db2.gz KCGVCQWDPUKPJS-FMKPAKJESA-N 1 2 345.443 3.759 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000285425237 1025352792 /nfs/dbraw/zinc/35/27/92/1025352792.db2.gz KCGVCQWDPUKPJS-FMKPAKJESA-N 1 2 345.443 3.759 20 0 EHADLO COc1cc(CCC2CCN(c3cccc[nH+]3)CC2)cc(OC)c1 ZINC000515542549 1025357094 /nfs/dbraw/zinc/35/70/94/1025357094.db2.gz SWKHVCTZVRAADN-UHFFFAOYSA-N 1 2 326.440 3.948 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000436080725 1025357373 /nfs/dbraw/zinc/35/73/73/1025357373.db2.gz WOIJQILHKCYBFI-UHFFFAOYSA-N 1 2 337.398 3.900 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000347002691 1025384136 /nfs/dbraw/zinc/38/41/36/1025384136.db2.gz JHDWJMOAAUANEW-RBUKOAKNSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000346985530 1025386211 /nfs/dbraw/zinc/38/62/11/1025386211.db2.gz OXKGNDMGDJWLTO-NDXORKPFSA-N 1 2 345.446 3.597 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000346985535 1025386636 /nfs/dbraw/zinc/38/66/36/1025386636.db2.gz OXKGNDMGDJWLTO-ZLGUVYLKSA-N 1 2 345.446 3.597 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)c1ccc(Cl)s1 ZINC000428257698 1025405880 /nfs/dbraw/zinc/40/58/80/1025405880.db2.gz BOYRFYIUZYBHPP-UHFFFAOYSA-N 1 2 349.774 3.548 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c2c(n1)CCCC2 ZINC000896422327 1025432836 /nfs/dbraw/zinc/43/28/36/1025432836.db2.gz ADBYNSCXTXYQKW-YLJYHZDGSA-N 1 2 326.415 3.830 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)csc2C1 ZINC000347027943 1025432889 /nfs/dbraw/zinc/43/28/89/1025432889.db2.gz VEXDMDPKNPUQJQ-CYBMUJFWSA-N 1 2 343.496 3.678 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCCOC2CCOCC2)c1 ZINC000896463527 1025470438 /nfs/dbraw/zinc/47/04/38/1025470438.db2.gz PWECQGWRMSRFII-UHFFFAOYSA-N 1 2 340.345 3.861 20 0 EHADLO CN(CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1)Cc1ccccc1 ZINC000451058587 1025482146 /nfs/dbraw/zinc/48/21/46/1025482146.db2.gz GQZSVQTZMRJMLN-UHFFFAOYSA-N 1 2 341.377 3.650 20 0 EHADLO CC1=CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000436275273 1025547353 /nfs/dbraw/zinc/54/73/53/1025547353.db2.gz YZCFLBLSVZWTEA-HNNXBMFYSA-N 1 2 325.239 3.751 20 0 EHADLO CC1=CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000436275273 1025547362 /nfs/dbraw/zinc/54/73/62/1025547362.db2.gz YZCFLBLSVZWTEA-HNNXBMFYSA-N 1 2 325.239 3.751 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@](=O)C1 ZINC000277511549 1025548567 /nfs/dbraw/zinc/54/85/67/1025548567.db2.gz QDQFOJRXAANTRM-MWTRTKDXSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@](=O)C1 ZINC000277511549 1025548576 /nfs/dbraw/zinc/54/85/76/1025548576.db2.gz QDQFOJRXAANTRM-MWTRTKDXSA-N 1 2 329.465 3.679 20 0 EHADLO CC1(C)C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000530267758 1025552694 /nfs/dbraw/zinc/55/26/94/1025552694.db2.gz NVFVHLAOJHZTNJ-BZUAXINKSA-N 1 2 345.487 3.515 20 0 EHADLO C[C@]1(F)CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451119304 1025555835 /nfs/dbraw/zinc/55/58/35/1025555835.db2.gz ZYQDWISFESTBSL-AWEZNQCLSA-N 1 2 327.197 3.914 20 0 EHADLO C[C@]1(F)CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451119304 1025555841 /nfs/dbraw/zinc/55/58/41/1025555841.db2.gz ZYQDWISFESTBSL-AWEZNQCLSA-N 1 2 327.197 3.914 20 0 EHADLO CC1(C)C[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC(C)(C)O1 ZINC000442878832 1025558091 /nfs/dbraw/zinc/55/80/91/1025558091.db2.gz VBZUMUNEXGCXDR-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000347141430 1025566279 /nfs/dbraw/zinc/56/62/79/1025566279.db2.gz WJVAHRJPCYLIJF-GFCCVEGCSA-N 1 2 328.382 3.653 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000347141430 1025566296 /nfs/dbraw/zinc/56/62/96/1025566296.db2.gz WJVAHRJPCYLIJF-GFCCVEGCSA-N 1 2 328.382 3.653 20 0 EHADLO CCOc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1C ZINC000347167843 1025606368 /nfs/dbraw/zinc/60/63/68/1025606368.db2.gz NEOOHBMONDHXJQ-UHFFFAOYSA-N 1 2 342.443 3.590 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281870472 1025616062 /nfs/dbraw/zinc/61/60/62/1025616062.db2.gz CPPPLGPVCQADTN-OAHLLOKOSA-N 1 2 343.858 3.893 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000442962213 1025623301 /nfs/dbraw/zinc/62/33/01/1025623301.db2.gz CDSIBPMFDZCXMV-SJLPKXTDSA-N 1 2 337.467 3.666 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)C[C@@H](CO)O1 ZINC000347202525 1025644556 /nfs/dbraw/zinc/64/45/56/1025644556.db2.gz FQHKKBOVUSNBCZ-LPHOPBHVSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)C[C@@H](CO)O1 ZINC000347202525 1025644563 /nfs/dbraw/zinc/64/45/63/1025644563.db2.gz FQHKKBOVUSNBCZ-LPHOPBHVSA-N 1 2 343.492 3.561 20 0 EHADLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000179179250 1025646808 /nfs/dbraw/zinc/64/68/08/1025646808.db2.gz YFGWWSPYPLWXHT-KBPBESRZSA-N 1 2 345.443 3.590 20 0 EHADLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000179179250 1025646816 /nfs/dbraw/zinc/64/68/16/1025646816.db2.gz YFGWWSPYPLWXHT-KBPBESRZSA-N 1 2 345.443 3.590 20 0 EHADLO O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000303721013 1025650375 /nfs/dbraw/zinc/65/03/75/1025650375.db2.gz WFXZBVAUZUSSKF-SFHVURJKSA-N 1 2 331.419 3.722 20 0 EHADLO CCCC[C@@H](CCC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443011189 1025662354 /nfs/dbraw/zinc/66/23/54/1025662354.db2.gz OTJLTLAKLBXNKV-QGZVFWFLSA-N 1 2 349.500 3.569 20 0 EHADLO Cc1cc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)ccn1 ZINC000347228238 1025693978 /nfs/dbraw/zinc/69/39/78/1025693978.db2.gz FGAKFLGHHRGZSL-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COCc1ccco1 ZINC000521860648 1025736694 /nfs/dbraw/zinc/73/66/94/1025736694.db2.gz BFRISDAMZPYYNU-LBPRGKRZSA-N 1 2 344.238 3.596 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COCc1ccco1 ZINC000521860648 1025736701 /nfs/dbraw/zinc/73/67/01/1025736701.db2.gz BFRISDAMZPYYNU-LBPRGKRZSA-N 1 2 344.238 3.596 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000515922212 1025743247 /nfs/dbraw/zinc/74/32/47/1025743247.db2.gz NGNCCAMKUPNDPS-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000515922212 1025743265 /nfs/dbraw/zinc/74/32/65/1025743265.db2.gz NGNCCAMKUPNDPS-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO CCc1cncc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000436455462 1025749713 /nfs/dbraw/zinc/74/97/13/1025749713.db2.gz SQJHDPJXYXGKBX-UHFFFAOYSA-N 1 2 344.484 3.585 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCCC3)nc[nH+]1)CCCO2 ZINC000329325987 1025753023 /nfs/dbraw/zinc/75/30/23/1025753023.db2.gz TWJTVWQDGAJSEP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCCC3)[nH+]cn1)CCCO2 ZINC000329325987 1025753036 /nfs/dbraw/zinc/75/30/36/1025753036.db2.gz TWJTVWQDGAJSEP-OAHLLOKOSA-N 1 2 328.391 3.542 20 0 EHADLO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000530400286 1025758460 /nfs/dbraw/zinc/75/84/60/1025758460.db2.gz HVHOURJRMWPEQP-UHFFFAOYSA-N 1 2 338.436 3.842 20 0 EHADLO CC(C)(C)C1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000530407686 1025781664 /nfs/dbraw/zinc/78/16/64/1025781664.db2.gz ZXIXCQRRAICZTD-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444153253 1025787840 /nfs/dbraw/zinc/78/78/40/1025787840.db2.gz XQUQWLKRDHHUCI-AEFFLSMTSA-N 1 2 344.503 3.518 20 0 EHADLO CC(C)c1cnc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530433910 1025830498 /nfs/dbraw/zinc/83/04/98/1025830498.db2.gz CGVPVXDVZJHNSC-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1cnc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530433910 1025830516 /nfs/dbraw/zinc/83/05/16/1025830516.db2.gz CGVPVXDVZJHNSC-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO C[N@H+](Cc1nc2cccnc2s1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451337014 1025842599 /nfs/dbraw/zinc/84/25/99/1025842599.db2.gz WSYJKOGRMVRNGV-CQSZACIVSA-N 1 2 333.844 3.510 20 0 EHADLO C[N@@H+](Cc1nc2cccnc2s1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451337014 1025842618 /nfs/dbraw/zinc/84/26/18/1025842618.db2.gz WSYJKOGRMVRNGV-CQSZACIVSA-N 1 2 333.844 3.510 20 0 EHADLO CCc1cc2c(CC(=O)NCc3[nH]c(C)c(C)[nH+]3)csc2s1 ZINC000896905720 1025870504 /nfs/dbraw/zinc/87/05/04/1025870504.db2.gz LCLQMLRTUMMRMO-UHFFFAOYSA-N 1 2 333.482 3.724 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404077 1025934638 /nfs/dbraw/zinc/93/46/38/1025934638.db2.gz FRGXSBYRAAYRTO-WPRPVWTQSA-N 1 2 329.288 3.602 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404077 1025934652 /nfs/dbraw/zinc/93/46/52/1025934652.db2.gz FRGXSBYRAAYRTO-WPRPVWTQSA-N 1 2 329.288 3.602 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc(CC4CC4)nc3C)ccc2[nH+]1 ZINC000530498842 1025951131 /nfs/dbraw/zinc/95/11/31/1025951131.db2.gz KAIFXOHPTNOAHL-UHFFFAOYSA-N 1 2 326.425 3.612 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000329529212 1025958776 /nfs/dbraw/zinc/95/87/76/1025958776.db2.gz UZLZKYDQYKPDRJ-IBGZPJMESA-N 1 2 340.471 3.877 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@](O)(C(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000451425355 1025966011 /nfs/dbraw/zinc/96/60/11/1025966011.db2.gz GWHIUZNPNKCJTP-MRXNPFEDSA-N 1 2 342.773 3.505 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@](O)(C(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000451425355 1025966021 /nfs/dbraw/zinc/96/60/21/1025966021.db2.gz GWHIUZNPNKCJTP-MRXNPFEDSA-N 1 2 342.773 3.505 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913751 1025968368 /nfs/dbraw/zinc/96/83/68/1025968368.db2.gz JOXUNMVFCYKTHU-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO CC1=CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474977610 1026019390 /nfs/dbraw/zinc/01/93/90/1026019390.db2.gz TYFPUUFWPPWMBO-HNNXBMFYSA-N 1 2 325.239 3.751 20 0 EHADLO CC1=CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474977610 1026019405 /nfs/dbraw/zinc/01/94/05/1026019405.db2.gz TYFPUUFWPPWMBO-HNNXBMFYSA-N 1 2 325.239 3.751 20 0 EHADLO CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)Oc1ccccc1C ZINC001126540452 1026029597 /nfs/dbraw/zinc/02/95/97/1026029597.db2.gz YJZHUHSSLFYWNJ-QGZVFWFLSA-N 1 2 337.423 3.539 20 0 EHADLO C1=Cc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2CC1 ZINC000329619515 1026080676 /nfs/dbraw/zinc/08/06/76/1026080676.db2.gz TWSHUIDQTAHBGU-QZTJIDSGSA-N 1 2 337.423 3.622 20 0 EHADLO C1=Cc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2CC1 ZINC000329619515 1026080693 /nfs/dbraw/zinc/08/06/93/1026080693.db2.gz TWSHUIDQTAHBGU-QZTJIDSGSA-N 1 2 337.423 3.622 20 0 EHADLO CC[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000103431510 1026086344 /nfs/dbraw/zinc/08/63/44/1026086344.db2.gz ADPLFOIVZUYDBE-ZDUSSCGKSA-N 1 2 329.469 3.653 20 0 EHADLO CC[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000103431510 1026086356 /nfs/dbraw/zinc/08/63/56/1026086356.db2.gz ADPLFOIVZUYDBE-ZDUSSCGKSA-N 1 2 329.469 3.653 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccnc2)nnn1-c1ccc(F)cc1 ZINC000158526642 1026087571 /nfs/dbraw/zinc/08/75/71/1026087571.db2.gz QKOGEEWHVJAXAU-CHWSQXEVSA-N 1 2 325.391 3.522 20 0 EHADLO CO[C@@H]1CCC[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821867 1026108204 /nfs/dbraw/zinc/10/82/04/1026108204.db2.gz WPXQYGNILSCXHX-NVXWUHKLSA-N 1 2 338.411 3.519 20 0 EHADLO Cn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(C2CCCCC2)n1 ZINC000896940117 1026129227 /nfs/dbraw/zinc/12/92/27/1026129227.db2.gz SYVUBGYCEQXSNR-UHFFFAOYSA-N 1 2 339.487 3.558 20 0 EHADLO Cn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(C2CCCCC2)n1 ZINC000896940117 1026129235 /nfs/dbraw/zinc/12/92/35/1026129235.db2.gz SYVUBGYCEQXSNR-UHFFFAOYSA-N 1 2 339.487 3.558 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)n1 ZINC000896943572 1026136406 /nfs/dbraw/zinc/13/64/06/1026136406.db2.gz XOVVMCCUELLOMO-UHFFFAOYSA-N 1 2 330.501 3.858 20 0 EHADLO Cn1c2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2nc1C1CC1 ZINC000657418368 1026146526 /nfs/dbraw/zinc/14/65/26/1026146526.db2.gz OXUVKLFDWNABEO-UHFFFAOYSA-N 1 2 344.422 3.644 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000475088059 1026148544 /nfs/dbraw/zinc/14/85/44/1026148544.db2.gz FRUBPPGGPMPWHK-OAHLLOKOSA-N 1 2 349.862 3.943 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000475088059 1026148553 /nfs/dbraw/zinc/14/85/53/1026148553.db2.gz FRUBPPGGPMPWHK-OAHLLOKOSA-N 1 2 349.862 3.943 20 0 EHADLO COc1ccc(-c2cc(C(=O)NC3C[NH+](C(C)C)C3)sc2C)cc1 ZINC000431401442 1026155580 /nfs/dbraw/zinc/15/55/80/1026155580.db2.gz NSZHOCSNDIIJLU-UHFFFAOYSA-N 1 2 344.480 3.555 20 0 EHADLO c1ccc(-c2noc(C[NH+]3CC(c4nc5ccccc5s4)C3)n2)cc1 ZINC000342540755 1026187304 /nfs/dbraw/zinc/18/73/04/1026187304.db2.gz BSAZOQFFZFTLLN-UHFFFAOYSA-N 1 2 348.431 3.946 20 0 EHADLO C[C@H](CC(=O)Nc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000582423549 1026221743 /nfs/dbraw/zinc/22/17/43/1026221743.db2.gz CGRUXJSGELUNFM-SECBINFHSA-N 1 2 329.734 3.728 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000530699096 1026227073 /nfs/dbraw/zinc/22/70/73/1026227073.db2.gz KTURXSGRDFOQDD-IBGZPJMESA-N 1 2 343.423 3.511 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000530699096 1026227085 /nfs/dbraw/zinc/22/70/85/1026227085.db2.gz KTURXSGRDFOQDD-IBGZPJMESA-N 1 2 343.423 3.511 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C)c1C ZINC000530724608 1026250241 /nfs/dbraw/zinc/25/02/41/1026250241.db2.gz YFQKNMODIUOXJF-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c(C)c1C ZINC000530724608 1026250251 /nfs/dbraw/zinc/25/02/51/1026250251.db2.gz YFQKNMODIUOXJF-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO C[C@@H]1CC2(CC(Nc3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)CO1 ZINC000897046784 1026265777 /nfs/dbraw/zinc/26/57/77/1026265777.db2.gz UVXMWXPYYSUKLJ-VJIIGADZSA-N 1 2 326.375 3.620 20 0 EHADLO c1ccc(-n2nnc(C[NH2+][C@H]3CCCc4cccnc43)c2C2CC2)cc1 ZINC000897072726 1026287769 /nfs/dbraw/zinc/28/77/69/1026287769.db2.gz YSPDWYXIHATAAP-SFHVURJKSA-N 1 2 345.450 3.707 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCc3cccnc32)c1Cl ZINC000897074390 1026288359 /nfs/dbraw/zinc/28/83/59/1026288359.db2.gz DQSGUNIQKDUVKE-NSHDSACASA-N 1 2 344.768 3.655 20 0 EHADLO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530863469 1026364560 /nfs/dbraw/zinc/36/45/60/1026364560.db2.gz JXVIQOXGFJFELY-CYBMUJFWSA-N 1 2 339.277 3.900 20 0 EHADLO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530863469 1026364571 /nfs/dbraw/zinc/36/45/71/1026364571.db2.gz JXVIQOXGFJFELY-CYBMUJFWSA-N 1 2 339.277 3.900 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000158897165 1026379850 /nfs/dbraw/zinc/37/98/50/1026379850.db2.gz YTDWTTPHAZHIQE-UHFFFAOYSA-N 1 2 349.381 3.726 20 0 EHADLO Fc1cc(F)cc(CC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c1 ZINC000451926278 1026393184 /nfs/dbraw/zinc/39/31/84/1026393184.db2.gz PXQDAVYMPFXUSN-UHFFFAOYSA-N 1 2 333.382 3.680 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1 ZINC000451961486 1026400000 /nfs/dbraw/zinc/40/00/00/1026400000.db2.gz SNZOKBHNACOUJR-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582488914 1026408646 /nfs/dbraw/zinc/40/86/46/1026408646.db2.gz XGNXIPRFRGAJLM-NEPJUHHUSA-N 1 2 340.254 3.888 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000475304837 1026458295 /nfs/dbraw/zinc/45/82/95/1026458295.db2.gz VKMDVGBZIAZFAJ-MRXNPFEDSA-N 1 2 327.472 3.662 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000152674434 1026511024 /nfs/dbraw/zinc/51/10/24/1026511024.db2.gz CHKCCXXLPFXTSS-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO COCc1cnc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)s1 ZINC000342627357 1026514036 /nfs/dbraw/zinc/51/40/36/1026514036.db2.gz WYEUEVYXTCKZKN-UHFFFAOYSA-N 1 2 335.448 3.505 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000531077929 1026523900 /nfs/dbraw/zinc/52/39/00/1026523900.db2.gz LKZXSMWSXIBZQB-YJBOKZPZSA-N 1 2 344.434 3.595 20 0 EHADLO O=C(CCc1ccc(OC(F)F)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000347321371 1026583984 /nfs/dbraw/zinc/58/39/84/1026583984.db2.gz BVRWTISZFGHRNV-UHFFFAOYSA-N 1 2 331.322 3.507 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3Cl)sc2C1 ZINC000159322948 1026604487 /nfs/dbraw/zinc/60/44/87/1026604487.db2.gz GBKDDGPFBFYILX-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3Cl)sc2C1 ZINC000159322948 1026604492 /nfs/dbraw/zinc/60/44/92/1026604492.db2.gz GBKDDGPFBFYILX-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(C3CCC3)no2)cc1 ZINC000639564708 1026610273 /nfs/dbraw/zinc/61/02/73/1026610273.db2.gz OXOWTMVTCGZUFT-CYBMUJFWSA-N 1 2 347.484 3.926 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(C3CCC3)no2)cc1 ZINC000639564716 1026611087 /nfs/dbraw/zinc/61/10/87/1026611087.db2.gz OXOWTMVTCGZUFT-ZDUSSCGKSA-N 1 2 347.484 3.926 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000342668205 1026655702 /nfs/dbraw/zinc/65/57/02/1026655702.db2.gz WYBNOUYBGZGDLH-QGZVFWFLSA-N 1 2 329.444 3.500 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000342668205 1026655705 /nfs/dbraw/zinc/65/57/05/1026655705.db2.gz WYBNOUYBGZGDLH-QGZVFWFLSA-N 1 2 329.444 3.500 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000342669303 1026657452 /nfs/dbraw/zinc/65/74/52/1026657452.db2.gz XSVSPEOHEABHNB-INIZCTEOSA-N 1 2 343.452 3.571 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000342669303 1026657457 /nfs/dbraw/zinc/65/74/57/1026657457.db2.gz XSVSPEOHEABHNB-INIZCTEOSA-N 1 2 343.452 3.571 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1c[nH+]c2n1CCCC2 ZINC000452331834 1026663790 /nfs/dbraw/zinc/66/37/90/1026663790.db2.gz FKMQCCJKAAAFIY-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO Cc1cc(C)c(NC(=O)CN(C)c2cc(C)[nH+]c(C(C)C)n2)c(C)c1 ZINC000301055956 1026669905 /nfs/dbraw/zinc/66/99/05/1026669905.db2.gz FAFMXPKODCBKLE-UHFFFAOYSA-N 1 2 340.471 3.909 20 0 EHADLO Cc1ccc(F)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1Br ZINC000566304631 1026687986 /nfs/dbraw/zinc/68/79/86/1026687986.db2.gz PVILOGLCTZIMOG-JTQLQIEISA-N 1 2 340.196 3.683 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)N[C@@H](c1ccccc1)C1CC1 ZINC000531194693 1026691210 /nfs/dbraw/zinc/69/12/10/1026691210.db2.gz SMCWCAPGMPXRLG-NRFANRHFSA-N 1 2 347.418 3.519 20 0 EHADLO COc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000122771553 1026723437 /nfs/dbraw/zinc/72/34/37/1026723437.db2.gz DCVVZNLYKYSOIA-KXBFYZLASA-N 1 2 349.434 3.768 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452416191 1026734700 /nfs/dbraw/zinc/73/47/00/1026734700.db2.gz HZWKWJIFOPNVAR-IEBWSBKVSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1cnn(CC2CCC2)c1 ZINC000934557900 1026781479 /nfs/dbraw/zinc/78/14/79/1026781479.db2.gz VAQONULNENWVTN-LBPRGKRZSA-N 1 2 328.391 3.814 20 0 EHADLO Cc1nsc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301407398 1026794726 /nfs/dbraw/zinc/79/47/26/1026794726.db2.gz VTBNURGCHJWSKG-CYBMUJFWSA-N 1 2 340.855 3.716 20 0 EHADLO Cc1nsc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301407398 1026794737 /nfs/dbraw/zinc/79/47/37/1026794737.db2.gz VTBNURGCHJWSKG-CYBMUJFWSA-N 1 2 340.855 3.716 20 0 EHADLO CC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccncc1 ZINC000342712050 1026803440 /nfs/dbraw/zinc/80/34/40/1026803440.db2.gz ILESEPKVHYCRFK-QZTJIDSGSA-N 1 2 334.423 3.594 20 0 EHADLO Cc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000301467332 1026816166 /nfs/dbraw/zinc/81/61/66/1026816166.db2.gz QPALXMYHARPZKV-SFHVURJKSA-N 1 2 325.456 3.952 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000122917383 1026859346 /nfs/dbraw/zinc/85/93/46/1026859346.db2.gz TYZZJCRWGIAZIW-RDJZCZTQSA-N 1 2 344.455 3.939 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000122917383 1026859354 /nfs/dbraw/zinc/85/93/54/1026859354.db2.gz TYZZJCRWGIAZIW-RDJZCZTQSA-N 1 2 344.455 3.939 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000122917631 1026859445 /nfs/dbraw/zinc/85/94/45/1026859445.db2.gz TYZZJCRWGIAZIW-DOTOQJQBSA-N 1 2 344.455 3.939 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000122917631 1026859452 /nfs/dbraw/zinc/85/94/52/1026859452.db2.gz TYZZJCRWGIAZIW-DOTOQJQBSA-N 1 2 344.455 3.939 20 0 EHADLO Cc1nc(N2CCC([C@H](O)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000301578072 1026860937 /nfs/dbraw/zinc/86/09/37/1026860937.db2.gz REJWLIDVXYUSIJ-HXUWFJFHSA-N 1 2 337.467 3.614 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122974328 1026879781 /nfs/dbraw/zinc/87/97/81/1026879781.db2.gz RPHVNZZDAJMBSI-ABAIWWIYSA-N 1 2 338.238 3.913 20 0 EHADLO CC(C)(C)c1ccncc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000413513978 1026891218 /nfs/dbraw/zinc/89/12/18/1026891218.db2.gz LRQBAMLQWSBBBF-UHFFFAOYSA-N 1 2 325.460 3.772 20 0 EHADLO CC(C)(C)c1ccncc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000413513978 1026891225 /nfs/dbraw/zinc/89/12/25/1026891225.db2.gz LRQBAMLQWSBBBF-UHFFFAOYSA-N 1 2 325.460 3.772 20 0 EHADLO CCc1ccc(C(C)(C)CNC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000531428921 1026901751 /nfs/dbraw/zinc/90/17/51/1026901751.db2.gz KOGMHOBOLCCCCD-UHFFFAOYSA-N 1 2 349.478 3.842 20 0 EHADLO CCC(CC)c1cc(CNc2cc(N3CCSCC3)nc[nH+]2)on1 ZINC000277784830 1026922254 /nfs/dbraw/zinc/92/22/54/1026922254.db2.gz MHQYSLQODDKMFP-UHFFFAOYSA-N 1 2 347.488 3.534 20 0 EHADLO CCC(CC)c1cc(CNc2cc(N3CCSCC3)[nH+]cn2)on1 ZINC000277784830 1026922260 /nfs/dbraw/zinc/92/22/60/1026922260.db2.gz MHQYSLQODDKMFP-UHFFFAOYSA-N 1 2 347.488 3.534 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000123050412 1026944014 /nfs/dbraw/zinc/94/40/14/1026944014.db2.gz PZXFJPPCWUATQN-NEPJUHHUSA-N 1 2 342.374 3.691 20 0 EHADLO Cc1ccc(-c2nc(CNc3cc(NCC4CC4)[nH+]cn3)co2)cc1 ZINC000301819776 1026950548 /nfs/dbraw/zinc/95/05/48/1026950548.db2.gz IZTFUYIIJWCPOH-UHFFFAOYSA-N 1 2 335.411 3.874 20 0 EHADLO Cc1ccc(-c2nc(CNc3cc(NCC4CC4)nc[nH+]3)co2)cc1 ZINC000301819776 1026950552 /nfs/dbraw/zinc/95/05/52/1026950552.db2.gz IZTFUYIIJWCPOH-UHFFFAOYSA-N 1 2 335.411 3.874 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cc(-c2ccccc2)on1 ZINC000301832100 1026955898 /nfs/dbraw/zinc/95/58/98/1026955898.db2.gz IYQHLRQPVCOFKY-UHFFFAOYSA-N 1 2 348.410 3.848 20 0 EHADLO Clc1ccc2c(c1)CN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC000301848955 1026964519 /nfs/dbraw/zinc/96/45/19/1026964519.db2.gz CTVWNWJCWDVPTR-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO Clc1ccc2c(c1)CN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC000301848955 1026964529 /nfs/dbraw/zinc/96/45/29/1026964529.db2.gz CTVWNWJCWDVPTR-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@]2(CC=CCC2)C1 ZINC000301853790 1026965885 /nfs/dbraw/zinc/96/58/85/1026965885.db2.gz BHSYSZIZLQMFPE-LJQANCHMSA-N 1 2 325.460 3.908 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301862344 1026969065 /nfs/dbraw/zinc/96/90/65/1026969065.db2.gz DZHHMMHRCMOCJU-ZBFHGGJFSA-N 1 2 335.455 3.964 20 0 EHADLO CCOc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301873265 1026974672 /nfs/dbraw/zinc/97/46/72/1026974672.db2.gz HWYFPWXYHPCVPT-UHFFFAOYSA-N 1 2 339.443 3.901 20 0 EHADLO Cc1ccccc1OCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301882883 1026978144 /nfs/dbraw/zinc/97/81/44/1026978144.db2.gz KVVNQMCXGFOUJK-UHFFFAOYSA-N 1 2 339.443 3.771 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCOc2ccccc21 ZINC000301895485 1026983612 /nfs/dbraw/zinc/98/36/12/1026983612.db2.gz PYABALKFUIITQW-ZDUSSCGKSA-N 1 2 337.427 3.560 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903040 1026986521 /nfs/dbraw/zinc/98/65/21/1026986521.db2.gz WYXOHSPJLAISPC-QWHCGFSZSA-N 1 2 333.505 3.692 20 0 EHADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000548752872 1026995185 /nfs/dbraw/zinc/99/51/85/1026995185.db2.gz ADBJFQUBOMNADO-YUMQZZPRSA-N 1 2 328.235 3.543 20 0 EHADLO CCc1nsc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972987 1027012392 /nfs/dbraw/zinc/01/23/92/1027012392.db2.gz JALUJAULGMOHDH-GXTWGEPZSA-N 1 2 340.855 3.750 20 0 EHADLO CCc1nsc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972987 1027012396 /nfs/dbraw/zinc/01/23/96/1027012396.db2.gz JALUJAULGMOHDH-GXTWGEPZSA-N 1 2 340.855 3.750 20 0 EHADLO Fc1cc(CNc2cc(Cl)nc(C3CC3)n2)ccc1-n1cc[nH+]c1 ZINC000302002431 1027020906 /nfs/dbraw/zinc/02/09/06/1027020906.db2.gz QWIYNEJALNHYLS-UHFFFAOYSA-N 1 2 343.793 3.944 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c2c([nH+]1)CCCC2 ZINC000302037630 1027031724 /nfs/dbraw/zinc/03/17/24/1027031724.db2.gz GJKABUWUCHRLOV-SFHVURJKSA-N 1 2 345.393 3.520 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000074549138 1027036200 /nfs/dbraw/zinc/03/62/00/1027036200.db2.gz QJZOLBHCUDLZLZ-KRWDZBQOSA-N 1 2 329.444 3.576 20 0 EHADLO CC(C)=CC[N@H+](CC(=O)Nc1ccon1)Cc1ccc(Cl)cc1 ZINC000685007663 1027040454 /nfs/dbraw/zinc/04/04/54/1027040454.db2.gz XPZMKTQLAZYJOE-UHFFFAOYSA-N 1 2 333.819 3.735 20 0 EHADLO CC(C)=CC[N@@H+](CC(=O)Nc1ccon1)Cc1ccc(Cl)cc1 ZINC000685007663 1027040465 /nfs/dbraw/zinc/04/04/65/1027040465.db2.gz XPZMKTQLAZYJOE-UHFFFAOYSA-N 1 2 333.819 3.735 20 0 EHADLO Cc1cc([C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)CCO2)ccc1F ZINC000302087285 1027049574 /nfs/dbraw/zinc/04/95/74/1027049574.db2.gz KUNJFJKOFGLJJI-LJQANCHMSA-N 1 2 341.430 3.689 20 0 EHADLO Brc1ccc(CCC[NH+]2CC(N3CCCCC3)C2)cc1 ZINC001207322635 1027080234 /nfs/dbraw/zinc/08/02/34/1027080234.db2.gz YZMZHTBGZKBYOG-UHFFFAOYSA-N 1 2 337.305 3.552 20 0 EHADLO Cc1nc(NC[C@](C)(O)c2cccc(Cl)c2)c2c([nH+]1)CCCC2 ZINC000302178635 1027081319 /nfs/dbraw/zinc/08/13/19/1027081319.db2.gz PPONBGSTKRGMTO-SFHVURJKSA-N 1 2 331.847 3.637 20 0 EHADLO CC(C)Cc1nsc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000302239412 1027104199 /nfs/dbraw/zinc/10/41/99/1027104199.db2.gz ARWOMWRUWCLAIL-CYBMUJFWSA-N 1 2 340.443 3.730 20 0 EHADLO Fc1ccc2c(NCc3n[nH]c(COc4ccccc4)n3)cc[nH+]c2c1 ZINC000302242198 1027107527 /nfs/dbraw/zinc/10/75/27/1027107527.db2.gz IXLBCKNOMIACIS-UHFFFAOYSA-N 1 2 349.369 3.683 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075531966 1027143032 /nfs/dbraw/zinc/14/30/32/1027143032.db2.gz HUUFYYLHBHAOKX-RDJZCZTQSA-N 1 2 343.496 3.933 20 0 EHADLO COc1ccc(CCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531827 1027143073 /nfs/dbraw/zinc/14/30/73/1027143073.db2.gz WXGRXHCFAFYXNV-KRWDZBQOSA-N 1 2 341.455 3.537 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)s1 ZINC000657549767 1027157354 /nfs/dbraw/zinc/15/73/54/1027157354.db2.gz JMPBUAYEEAAFRS-UHFFFAOYSA-N 1 2 330.379 3.539 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551784 1027167479 /nfs/dbraw/zinc/16/74/79/1027167479.db2.gz YNTGOSYGRPCMOM-GFCCVEGCSA-N 1 2 328.803 3.564 20 0 EHADLO CCC1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCCC1 ZINC000452965972 1027170863 /nfs/dbraw/zinc/17/08/63/1027170863.db2.gz WQYFTKWEZSDAJA-UHFFFAOYSA-N 1 2 331.485 3.715 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556107 1027170857 /nfs/dbraw/zinc/17/08/57/1027170857.db2.gz OZIXJIPOHMVPIV-IBGZPJMESA-N 1 2 345.446 3.948 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000272932801 1027182492 /nfs/dbraw/zinc/18/24/92/1027182492.db2.gz IPDIZFQGIJBQFU-SJORKVTESA-N 1 2 338.451 3.822 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000277840865 1027187002 /nfs/dbraw/zinc/18/70/02/1027187002.db2.gz ZJZZUMPFGOVWBV-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000126383781 1027197412 /nfs/dbraw/zinc/19/74/12/1027197412.db2.gz GJHCBSHDUVQBRV-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO CCC1(O)CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000075859748 1027199252 /nfs/dbraw/zinc/19/92/52/1027199252.db2.gz OXIRFORVXFQUJF-UHFFFAOYSA-N 1 2 332.669 3.839 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000061002089 1027200759 /nfs/dbraw/zinc/20/07/59/1027200759.db2.gz SZSUNGOUGZYUKV-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061002089 1027200779 /nfs/dbraw/zinc/20/07/79/1027200779.db2.gz SZSUNGOUGZYUKV-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075983988 1027216864 /nfs/dbraw/zinc/21/68/64/1027216864.db2.gz KVLDRSOXUYFHMK-UHFFFAOYSA-N 1 2 340.471 3.881 20 0 EHADLO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)ncc1Br ZINC000302685668 1027238876 /nfs/dbraw/zinc/23/88/76/1027238876.db2.gz TXNDVVUWVPRZRR-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)n1 ZINC000531727546 1027246407 /nfs/dbraw/zinc/24/64/07/1027246407.db2.gz MIMLOJXPJRQDGH-MRXNPFEDSA-N 1 2 337.452 3.641 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)n1 ZINC000531727546 1027246419 /nfs/dbraw/zinc/24/64/19/1027246419.db2.gz MIMLOJXPJRQDGH-MRXNPFEDSA-N 1 2 337.452 3.641 20 0 EHADLO FC(F)(F)COc1cc(NCc2ccnn2C2CCCC2)cc[nH+]1 ZINC000453047380 1027261020 /nfs/dbraw/zinc/26/10/20/1027261020.db2.gz IHZULAYIQYIWTF-UHFFFAOYSA-N 1 2 340.349 3.946 20 0 EHADLO c1ccc(SCCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302798481 1027296993 /nfs/dbraw/zinc/29/69/93/1027296993.db2.gz RNQMHRNONRQSSQ-UHFFFAOYSA-N 1 2 346.525 3.624 20 0 EHADLO c1ccc(SCCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302798481 1027297003 /nfs/dbraw/zinc/29/70/03/1027297003.db2.gz RNQMHRNONRQSSQ-UHFFFAOYSA-N 1 2 346.525 3.624 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@H](C)n4ncnc43)s2)cc1C ZINC000657567958 1027316404 /nfs/dbraw/zinc/31/64/04/1027316404.db2.gz AHOTVHAGXHUFLC-CZUORRHYSA-N 1 2 339.468 3.814 20 0 EHADLO Nc1ccc(CNc2nc3ccccc3c(-c3ccccc3)n2)c[nH+]1 ZINC000302835613 1027317281 /nfs/dbraw/zinc/31/72/81/1027317281.db2.gz VRVNPFVFORUWNI-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)o1 ZINC000657571287 1027365102 /nfs/dbraw/zinc/36/51/02/1027365102.db2.gz XKDFMZWMEAESEU-BLLLJJGKSA-N 1 2 326.375 3.781 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000077529731 1027424378 /nfs/dbraw/zinc/42/43/78/1027424378.db2.gz FFKGMORZCFQCFR-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCCC[C@@H]1c1ccco1 ZINC000077572557 1027431740 /nfs/dbraw/zinc/43/17/40/1027431740.db2.gz RAYIIVMIAHDNOM-MRXNPFEDSA-N 1 2 330.432 3.583 20 0 EHADLO CCOCCC1(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CCCC1 ZINC000453131030 1027432536 /nfs/dbraw/zinc/43/25/36/1027432536.db2.gz FXVPMPHRPDYUEZ-SFHVURJKSA-N 1 2 346.450 3.610 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ncc(-c2ccccc2)n1C ZINC000453140218 1027446790 /nfs/dbraw/zinc/44/67/90/1027446790.db2.gz IOAGOTAKBPIRQG-KSSFIOAISA-N 1 2 339.414 3.610 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(C)o1 ZINC000273554994 1027491770 /nfs/dbraw/zinc/49/17/70/1027491770.db2.gz YDLWIKRCUIRTID-SFHVURJKSA-N 1 2 338.407 3.657 20 0 EHADLO Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)c(C)c[nH+]1 ZINC000536575054 1027496091 /nfs/dbraw/zinc/49/60/91/1027496091.db2.gz QCRNDNTXADAEAZ-UHFFFAOYSA-N 1 2 334.423 3.682 20 0 EHADLO O=C(c1scnc1C1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273579970 1027501755 /nfs/dbraw/zinc/50/17/55/1027501755.db2.gz HIHXTXGZLVTNDN-ZDUSSCGKSA-N 1 2 330.457 3.544 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000047123447 1027533652 /nfs/dbraw/zinc/53/36/52/1027533652.db2.gz CGJCGKIKMUMHRR-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(C(C)(C)c3ccccc3Cl)no2)C1 ZINC000420496847 1027566185 /nfs/dbraw/zinc/56/61/85/1027566185.db2.gz XGWFEWGCFVYSRH-HNNXBMFYSA-N 1 2 349.862 3.831 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(C(C)(C)c3ccccc3Cl)no2)C1 ZINC000420496847 1027566194 /nfs/dbraw/zinc/56/61/94/1027566194.db2.gz XGWFEWGCFVYSRH-HNNXBMFYSA-N 1 2 349.862 3.831 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000129865881 1027609494 /nfs/dbraw/zinc/60/94/94/1027609494.db2.gz NHDFPHHWTHZWQV-OAHLLOKOSA-N 1 2 337.398 3.797 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000129865881 1027609501 /nfs/dbraw/zinc/60/95/01/1027609501.db2.gz NHDFPHHWTHZWQV-OAHLLOKOSA-N 1 2 337.398 3.797 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252375 1027611829 /nfs/dbraw/zinc/61/18/29/1027611829.db2.gz NFICBFYRLPHSEN-RDJZCZTQSA-N 1 2 328.460 3.534 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1cccc(OC)c1 ZINC000657611460 1027638710 /nfs/dbraw/zinc/63/87/10/1027638710.db2.gz NJJKFLSFWIAVHU-INIZCTEOSA-N 1 2 344.436 3.889 20 0 EHADLO Oc1c(F)cc(Nc2cc(Br)cn3cc[nH+]c23)cc1F ZINC001213373263 1027644188 /nfs/dbraw/zinc/64/41/88/1027644188.db2.gz ARENOWSSGFORGO-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000130247047 1027649287 /nfs/dbraw/zinc/64/92/87/1027649287.db2.gz YSHMEKNISNKLKB-INIZCTEOSA-N 1 2 328.481 3.586 20 0 EHADLO FC1(F)C[C@H]1OCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000664306359 1027670630 /nfs/dbraw/zinc/67/06/30/1027670630.db2.gz ARDORHSYDIUTBF-GFCCVEGCSA-N 1 2 343.171 3.833 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CC4(CCOCC4)[C@@H]3c3ccco3)c2c1C ZINC000664308079 1027673838 /nfs/dbraw/zinc/67/38/38/1027673838.db2.gz VFNOCWIQMFMIOT-INIZCTEOSA-N 1 2 338.411 3.526 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000422269619 1027678959 /nfs/dbraw/zinc/67/89/59/1027678959.db2.gz VOBZASZAGUCDMY-HUUCEWRRSA-N 1 2 348.397 3.695 20 0 EHADLO Fc1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211899766 1027694640 /nfs/dbraw/zinc/69/46/40/1027694640.db2.gz KEAQWXRKUXHJHR-UHFFFAOYSA-N 1 2 345.324 3.736 20 0 EHADLO CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)C)cc1 ZINC000665818034 1027707173 /nfs/dbraw/zinc/70/71/73/1027707173.db2.gz CBCBISZOXZWXFG-LMMKCTJWSA-N 1 2 325.456 3.600 20 0 EHADLO Cc1cc(CNC(=O)NCCCO[C@@H](C)c2ccccc2)cc(C)[nH+]1 ZINC000420756586 1027713687 /nfs/dbraw/zinc/71/36/87/1027713687.db2.gz FIKSLCMGLJYNFF-KRWDZBQOSA-N 1 2 341.455 3.666 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3ccccc3-n3cc[nH+]c3)c[nH]c21 ZINC000131296152 1027758477 /nfs/dbraw/zinc/75/84/77/1027758477.db2.gz ZBHLHEXKJVXGRV-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000342868135 1027765270 /nfs/dbraw/zinc/76/52/70/1027765270.db2.gz JRLLBECUOLTJSX-GFCCVEGCSA-N 1 2 338.854 3.700 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000342868135 1027765292 /nfs/dbraw/zinc/76/52/92/1027765292.db2.gz JRLLBECUOLTJSX-GFCCVEGCSA-N 1 2 338.854 3.700 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420833849 1027766272 /nfs/dbraw/zinc/76/62/72/1027766272.db2.gz MLZMUHGFKCACOF-CQSZACIVSA-N 1 2 343.475 3.519 20 0 EHADLO FC(F)(F)c1cccc(CC[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000628161924 1027770784 /nfs/dbraw/zinc/77/07/84/1027770784.db2.gz XBTJPGFDKOFKSU-CQSZACIVSA-N 1 2 342.386 3.778 20 0 EHADLO FC(F)(F)c1cccc(CC[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000628161924 1027770798 /nfs/dbraw/zinc/77/07/98/1027770798.db2.gz XBTJPGFDKOFKSU-CQSZACIVSA-N 1 2 342.386 3.778 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc1OC(F)F ZINC000414475429 1027785525 /nfs/dbraw/zinc/78/55/25/1027785525.db2.gz UZBYMDZQEHDZMX-KRWDZBQOSA-N 1 2 341.398 3.688 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc1OC(F)F ZINC000414475429 1027785541 /nfs/dbraw/zinc/78/55/41/1027785541.db2.gz UZBYMDZQEHDZMX-KRWDZBQOSA-N 1 2 341.398 3.688 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2c1C ZINC000342873348 1027786765 /nfs/dbraw/zinc/78/67/65/1027786765.db2.gz LNCZKVQNVMIUGE-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420845854 1027788875 /nfs/dbraw/zinc/78/88/75/1027788875.db2.gz IMAWGUGFKQXLCO-IBGZPJMESA-N 1 2 337.467 3.863 20 0 EHADLO O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131832375 1027827052 /nfs/dbraw/zinc/82/70/52/1027827052.db2.gz WGFBTUFYXPZJSR-QGZVFWFLSA-N 1 2 347.418 3.554 20 0 EHADLO CC[N@H+](CCOC)CC(=O)c1cc(C)n(CCc2cccs2)c1C ZINC000347338119 1027828324 /nfs/dbraw/zinc/82/83/24/1027828324.db2.gz LNEYSOZWMRZBHZ-UHFFFAOYSA-N 1 2 348.512 3.560 20 0 EHADLO CC[N@@H+](CCOC)CC(=O)c1cc(C)n(CCc2cccs2)c1C ZINC000347338119 1027828351 /nfs/dbraw/zinc/82/83/51/1027828351.db2.gz LNEYSOZWMRZBHZ-UHFFFAOYSA-N 1 2 348.512 3.560 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3nn(C)cc3Cl)CC2)cc1 ZINC000420900555 1027843753 /nfs/dbraw/zinc/84/37/53/1027843753.db2.gz IJGBCVMRFAIQDD-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000533437962 1027844137 /nfs/dbraw/zinc/84/41/37/1027844137.db2.gz YBMVJNMZVQTMIN-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000533437962 1027844150 /nfs/dbraw/zinc/84/41/50/1027844150.db2.gz YBMVJNMZVQTMIN-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000078454684 1027848156 /nfs/dbraw/zinc/84/81/56/1027848156.db2.gz RABPRKQUULJSAC-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO COc1cccc(C2(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CCCC2)c1 ZINC000610009162 1027851497 /nfs/dbraw/zinc/85/14/97/1027851497.db2.gz ZGHMHTYKVGHKHK-OAHLLOKOSA-N 1 2 333.472 3.827 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000420944217 1027901351 /nfs/dbraw/zinc/90/13/51/1027901351.db2.gz JBDRVYDBDCGEDA-LLVKDONJSA-N 1 2 328.382 3.655 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000420944217 1027901366 /nfs/dbraw/zinc/90/13/66/1027901366.db2.gz JBDRVYDBDCGEDA-LLVKDONJSA-N 1 2 328.382 3.655 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H](CC(F)F)c1ccccc1 ZINC000420916620 1027902023 /nfs/dbraw/zinc/90/20/23/1027902023.db2.gz MKQVUMRAVHGUSJ-OAHLLOKOSA-N 1 2 348.397 3.579 20 0 EHADLO Cc1ncsc1C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000132331971 1027911019 /nfs/dbraw/zinc/91/10/19/1027911019.db2.gz HEFZIJSGKRIVHL-NSHDSACASA-N 1 2 347.875 3.845 20 0 EHADLO Cc1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)c(C)c[nH+]1 ZINC000536618819 1027913788 /nfs/dbraw/zinc/91/37/88/1027913788.db2.gz YURGUYWJNZDMKP-UYJHFMRCSA-N 1 2 345.487 3.712 20 0 EHADLO C[C@@H](CNC(=O)c1sccc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000153445426 1027929927 /nfs/dbraw/zinc/92/99/27/1027929927.db2.gz WIPVWYMICOEFLC-AWEZNQCLSA-N 1 2 325.437 3.678 20 0 EHADLO Cc1ccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c(OCC2CC2)c1 ZINC000536619990 1027950237 /nfs/dbraw/zinc/95/02/37/1027950237.db2.gz KABIBHUFPSWVMK-UHFFFAOYSA-N 1 2 339.439 3.539 20 0 EHADLO C[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000153459668 1027956115 /nfs/dbraw/zinc/95/61/15/1027956115.db2.gz KKMQBOIUBWDVER-MRXNPFEDSA-N 1 2 335.407 3.742 20 0 EHADLO OC[C@H]1C=C[C@H]([N@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342884 1027992516 /nfs/dbraw/zinc/99/25/16/1027992516.db2.gz FWQLMEHBCQJAJO-GJZGRUSLSA-N 1 2 340.448 3.829 20 0 EHADLO OC[C@H]1C=C[C@H]([N@@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342884 1027992535 /nfs/dbraw/zinc/99/25/35/1027992535.db2.gz FWQLMEHBCQJAJO-GJZGRUSLSA-N 1 2 340.448 3.829 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CCCCC2)c1 ZINC000428367728 1027994707 /nfs/dbraw/zinc/99/47/07/1027994707.db2.gz VAZJAXDMNOTQKY-GOSISDBHSA-N 1 2 337.467 3.525 20 0 EHADLO COCCCCC[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000532684074 1028016889 /nfs/dbraw/zinc/01/68/89/1028016889.db2.gz TVRVXXFYHCHRPI-HNNXBMFYSA-N 1 2 348.270 3.956 20 0 EHADLO COCCCCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000532684074 1028016907 /nfs/dbraw/zinc/01/69/07/1028016907.db2.gz TVRVXXFYHCHRPI-HNNXBMFYSA-N 1 2 348.270 3.956 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246223848 1028019526 /nfs/dbraw/zinc/01/95/26/1028019526.db2.gz ZXOKQSQCWXKVJA-ZBFHGGJFSA-N 1 2 343.427 3.613 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246223848 1028019533 /nfs/dbraw/zinc/01/95/33/1028019533.db2.gz ZXOKQSQCWXKVJA-ZBFHGGJFSA-N 1 2 343.427 3.613 20 0 EHADLO CC(=O)c1c[nH]c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444544794 1028022673 /nfs/dbraw/zinc/02/26/73/1028022673.db2.gz GCZZTXHOYDJQGD-UHFFFAOYSA-N 1 2 348.406 3.669 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(F)ccc2OC(C)C)cc(C)[nH+]1 ZINC000421051429 1028036530 /nfs/dbraw/zinc/03/65/30/1028036530.db2.gz LMVYYVOVGICCKH-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3cnn(C(C)C)c3c2)cc(C)[nH+]1 ZINC000421059837 1028042659 /nfs/dbraw/zinc/04/26/59/1028042659.db2.gz WVHUOCFQPJFPLQ-UHFFFAOYSA-N 1 2 337.427 3.951 20 0 EHADLO Cc1c(NC(=O)NCc2cc(C)[nH+]c(C)c2)cnn1CCC(C)C ZINC000421083874 1028067711 /nfs/dbraw/zinc/06/77/11/1028067711.db2.gz KIFNVBXDOYKCDA-UHFFFAOYSA-N 1 2 329.448 3.571 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077697 1028078119 /nfs/dbraw/zinc/07/81/19/1028078119.db2.gz AKYQVUCMWXVJLH-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077697 1028078133 /nfs/dbraw/zinc/07/81/33/1028078133.db2.gz AKYQVUCMWXVJLH-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO CCC[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475609607 1028084711 /nfs/dbraw/zinc/08/47/11/1028084711.db2.gz DFCWHCZRZGQCJR-FQEVSTJZSA-N 1 2 332.488 3.556 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000444646448 1028109014 /nfs/dbraw/zinc/10/90/14/1028109014.db2.gz ZFKZPMDFICGHPS-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000444646448 1028109023 /nfs/dbraw/zinc/10/90/23/1028109023.db2.gz ZFKZPMDFICGHPS-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000414500808 1028133031 /nfs/dbraw/zinc/13/30/31/1028133031.db2.gz CXTYYQCOQBOKHJ-UHFFFAOYSA-N 1 2 335.251 3.804 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000444689830 1028160030 /nfs/dbraw/zinc/16/00/30/1028160030.db2.gz HJOPOSHRQSAJCP-LLVKDONJSA-N 1 2 344.768 3.695 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000444689830 1028160042 /nfs/dbraw/zinc/16/00/42/1028160042.db2.gz HJOPOSHRQSAJCP-LLVKDONJSA-N 1 2 344.768 3.695 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423086155 1028174407 /nfs/dbraw/zinc/17/44/07/1028174407.db2.gz LKOXIFOHSIDEAQ-MRXNPFEDSA-N 1 2 334.366 3.781 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700582 1028175575 /nfs/dbraw/zinc/17/55/75/1028175575.db2.gz GJHGQRSZMIZQOM-LLVKDONJSA-N 1 2 329.350 3.544 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700582 1028175586 /nfs/dbraw/zinc/17/55/86/1028175586.db2.gz GJHGQRSZMIZQOM-LLVKDONJSA-N 1 2 329.350 3.544 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246301569 1028184912 /nfs/dbraw/zinc/18/49/12/1028184912.db2.gz BZLYVRMYXGZMES-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246301569 1028184921 /nfs/dbraw/zinc/18/49/21/1028184921.db2.gz BZLYVRMYXGZMES-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712634 1028191500 /nfs/dbraw/zinc/19/15/00/1028191500.db2.gz ZSCZLHUXAUUVPQ-NEPJUHHUSA-N 1 2 331.386 3.514 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712634 1028191508 /nfs/dbraw/zinc/19/15/08/1028191508.db2.gz ZSCZLHUXAUUVPQ-NEPJUHHUSA-N 1 2 331.386 3.514 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735340 1028202599 /nfs/dbraw/zinc/20/25/99/1028202599.db2.gz ZJEXTJAFFQSJIQ-QMTHXVAHSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735340 1028202609 /nfs/dbraw/zinc/20/26/09/1028202609.db2.gz ZJEXTJAFFQSJIQ-QMTHXVAHSA-N 1 2 346.374 3.538 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444719842 1028211897 /nfs/dbraw/zinc/21/18/97/1028211897.db2.gz NKYUGQFDYNMRSP-ZYHUDNBSSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444719842 1028211899 /nfs/dbraw/zinc/21/18/99/1028211899.db2.gz NKYUGQFDYNMRSP-ZYHUDNBSSA-N 1 2 336.423 3.576 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000503927855 1028217566 /nfs/dbraw/zinc/21/75/66/1028217566.db2.gz RDJMLQTZOWAAQT-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000503927855 1028217573 /nfs/dbraw/zinc/21/75/73/1028217573.db2.gz RDJMLQTZOWAAQT-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO C[C@H](Nc1cc(N[C@@H](C)c2cscn2)[nH+]cn1)c1cscn1 ZINC000664262636 1028224876 /nfs/dbraw/zinc/22/48/76/1028224876.db2.gz DSQZQOTUNLZUHE-UWVGGRQHSA-N 1 2 332.458 3.736 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)ccc1F ZINC000444743503 1028228910 /nfs/dbraw/zinc/22/89/10/1028228910.db2.gz ZHUDFBIIICAOCD-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)ccc1F ZINC000444743503 1028228925 /nfs/dbraw/zinc/22/89/25/1028228925.db2.gz ZHUDFBIIICAOCD-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055053106 1028258877 /nfs/dbraw/zinc/25/88/77/1028258877.db2.gz OSNWAOLTFSMRGR-UHFFFAOYSA-N 1 2 326.318 3.677 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055053106 1028258893 /nfs/dbraw/zinc/25/88/93/1028258893.db2.gz OSNWAOLTFSMRGR-UHFFFAOYSA-N 1 2 326.318 3.677 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)n1C(C)C ZINC000055695983 1028284831 /nfs/dbraw/zinc/28/48/31/1028284831.db2.gz NSZMVSCBJKGGAG-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO CCn1c(C)nnc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444788855 1028287529 /nfs/dbraw/zinc/28/75/29/1028287529.db2.gz YEUOHZDCLKRWBT-AWEZNQCLSA-N 1 2 326.366 3.698 20 0 EHADLO CC1CC[NH+](Cc2nc([C@@H]3CSc4ccccc4O3)no2)CC1 ZINC000277981036 1028302319 /nfs/dbraw/zinc/30/23/19/1028302319.db2.gz HHBXXGRTLJUDKK-AWEZNQCLSA-N 1 2 331.441 3.527 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H]2CCSc3ccc(F)cc32)nn1C ZINC000421336673 1028302699 /nfs/dbraw/zinc/30/26/99/1028302699.db2.gz XGNBSIORBVRGMF-LBPRGKRZSA-N 1 2 325.840 3.848 20 0 EHADLO CC1CC[NH+](Cc2nc([C@H]3CSc4ccccc4O3)no2)CC1 ZINC000277981039 1028303426 /nfs/dbraw/zinc/30/34/26/1028303426.db2.gz HHBXXGRTLJUDKK-CQSZACIVSA-N 1 2 331.441 3.527 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455535807 1028312630 /nfs/dbraw/zinc/31/26/30/1028312630.db2.gz BKTFXCHAOSJEAO-LJQANCHMSA-N 1 2 339.439 3.754 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511216678 1028318033 /nfs/dbraw/zinc/31/80/33/1028318033.db2.gz ZORCLOUMRPVIFR-MSOLQXFVSA-N 1 2 329.488 3.773 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCO2 ZINC000536629765 1028322488 /nfs/dbraw/zinc/32/24/88/1028322488.db2.gz YIRWXTICDFEFLJ-AWEZNQCLSA-N 1 2 348.349 3.749 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccn1)OCO2 ZINC000536629765 1028322503 /nfs/dbraw/zinc/32/25/03/1028322503.db2.gz YIRWXTICDFEFLJ-AWEZNQCLSA-N 1 2 348.349 3.749 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2csc(C(C)(C)C)n2)cc1 ZINC000536631581 1028326253 /nfs/dbraw/zinc/32/62/53/1028326253.db2.gz LVHCBPVYSWYWDD-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2csc(C(C)(C)C)n2)cc1 ZINC000536631581 1028326271 /nfs/dbraw/zinc/32/62/71/1028326271.db2.gz LVHCBPVYSWYWDD-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000536631062 1028327314 /nfs/dbraw/zinc/32/73/14/1028327314.db2.gz IZKYIVBMNRHVTG-UHFFFAOYSA-N 1 2 346.858 3.900 20 0 EHADLO CCc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067558816 1028370377 /nfs/dbraw/zinc/37/03/77/1028370377.db2.gz HYUZYPBUDOMFJB-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cs1 ZINC000162101037 1028446242 /nfs/dbraw/zinc/44/62/42/1028446242.db2.gz MYHZUJPRLDNZRL-TZMCWYRMSA-N 1 2 347.459 3.691 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421455207 1028457163 /nfs/dbraw/zinc/45/71/63/1028457163.db2.gz GICVTYUXQGXYGI-KZNAEPCWSA-N 1 2 327.472 3.514 20 0 EHADLO CCSc1cccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000354809363 1028514644 /nfs/dbraw/zinc/51/46/44/1028514644.db2.gz IPPCBQWFYNAXDB-HNNXBMFYSA-N 1 2 333.457 3.630 20 0 EHADLO CCSc1cccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000354809363 1028514661 /nfs/dbraw/zinc/51/46/61/1028514661.db2.gz IPPCBQWFYNAXDB-HNNXBMFYSA-N 1 2 333.457 3.630 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2C1 ZINC000523679688 1028535253 /nfs/dbraw/zinc/53/52/53/1028535253.db2.gz NREFZVUTGXZBJE-AWEZNQCLSA-N 1 2 343.496 3.793 20 0 EHADLO O=C(NC[C@@H]1CC12CC2)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583013067 1028535983 /nfs/dbraw/zinc/53/59/83/1028535983.db2.gz AOVGFSCRGIEPLY-HNNXBMFYSA-N 1 2 336.439 3.808 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2C1 ZINC000523679689 1028536031 /nfs/dbraw/zinc/53/60/31/1028536031.db2.gz NREFZVUTGXZBJE-CQSZACIVSA-N 1 2 343.496 3.793 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C)c[nH+]1 ZINC000455571980 1028566883 /nfs/dbraw/zinc/56/68/83/1028566883.db2.gz OBRIMOOMJLQORL-KRWDZBQOSA-N 1 2 325.456 3.779 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000421574849 1028568072 /nfs/dbraw/zinc/56/80/72/1028568072.db2.gz HVEDQOYEQGNFGH-UONOGXRCSA-N 1 2 332.806 3.911 20 0 EHADLO C[N@H+](Cc1ccon1)Cc1cc(Br)cc2cccnc21 ZINC000347379941 1028587729 /nfs/dbraw/zinc/58/77/29/1028587729.db2.gz YNROGJXQDBEWBK-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@@H+](Cc1ccon1)Cc1cc(Br)cc2cccnc21 ZINC000347379941 1028587735 /nfs/dbraw/zinc/58/77/35/1028587735.db2.gz YNROGJXQDBEWBK-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO c1ccc(C[N@@H+](Cc2noc(C3CCOCC3)n2)CC2CCC2)cc1 ZINC000195515220 1028637832 /nfs/dbraw/zinc/63/78/32/1028637832.db2.gz ZJSCJTUMNNUEIJ-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO c1ccc(C[N@H+](Cc2noc(C3CCOCC3)n2)CC2CCC2)cc1 ZINC000195515220 1028637842 /nfs/dbraw/zinc/63/78/42/1028637842.db2.gz ZJSCJTUMNNUEIJ-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO CC1(C)C[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000504422010 1028638097 /nfs/dbraw/zinc/63/80/97/1028638097.db2.gz NYXUGWDVFSSNCD-IUODEOHRSA-N 1 2 338.854 3.778 20 0 EHADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]([NH3+])c3c(F)cccc3F)C2)c1 ZINC000423871708 1028661976 /nfs/dbraw/zinc/66/19/76/1028661976.db2.gz HCGCWVQGEORWAG-KUHUBIRLSA-N 1 2 344.405 3.598 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2CCCCCC2)cc1 ZINC000523860611 1028674530 /nfs/dbraw/zinc/67/45/30/1028674530.db2.gz XWUDVIORAPQERC-IBGZPJMESA-N 1 2 346.540 3.924 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2CCCCCC2)cc1 ZINC000523860611 1028674541 /nfs/dbraw/zinc/67/45/41/1028674541.db2.gz XWUDVIORAPQERC-IBGZPJMESA-N 1 2 346.540 3.924 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(Cl)c2ccccc21 ZINC000423897530 1028685324 /nfs/dbraw/zinc/68/53/24/1028685324.db2.gz KSMXLNOCYMBBCL-ZUZCIYMTSA-N 1 2 338.785 3.668 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000246767639 1028689937 /nfs/dbraw/zinc/68/99/37/1028689937.db2.gz NLMUOIYOKMWQNT-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000246767639 1028689945 /nfs/dbraw/zinc/68/99/45/1028689945.db2.gz NLMUOIYOKMWQNT-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246881338 1028708047 /nfs/dbraw/zinc/70/80/47/1028708047.db2.gz FYLREQFQBPSHBJ-JKSUJKDBSA-N 1 2 333.476 3.897 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246881338 1028708059 /nfs/dbraw/zinc/70/80/59/1028708059.db2.gz FYLREQFQBPSHBJ-JKSUJKDBSA-N 1 2 333.476 3.897 20 0 EHADLO Cc1nc(COc2ccc(C[NH2+][C@@H](C)c3csnn3)cc2)cs1 ZINC000414547769 1028730871 /nfs/dbraw/zinc/73/08/71/1028730871.db2.gz IGBVOVZHVMZTPO-NSHDSACASA-N 1 2 346.481 3.733 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454319693 1028734125 /nfs/dbraw/zinc/73/41/25/1028734125.db2.gz AZBGXFBXPTVPGW-KRWDZBQOSA-N 1 2 340.471 3.866 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nnc(C4CC4)s3)s2)o1 ZINC000414550768 1028761139 /nfs/dbraw/zinc/76/11/39/1028761139.db2.gz DQBKREKGVQROJG-UHFFFAOYSA-N 1 2 332.454 3.730 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)CC2 ZINC000502876213 1028769355 /nfs/dbraw/zinc/76/93/55/1028769355.db2.gz HRBXKRMHQNTUCE-CQSZACIVSA-N 1 2 344.405 3.509 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)CC2 ZINC000502876213 1028769368 /nfs/dbraw/zinc/76/93/68/1028769368.db2.gz HRBXKRMHQNTUCE-CQSZACIVSA-N 1 2 344.405 3.509 20 0 EHADLO CC[C@@]1(C(C)C)C[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454339812 1028771380 /nfs/dbraw/zinc/77/13/80/1028771380.db2.gz PDINLUQSNOZSMN-QUCCMNQESA-N 1 2 340.471 3.555 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)n1 ZINC000245538245 1028781963 /nfs/dbraw/zinc/78/19/63/1028781963.db2.gz MTFQEFYXNSFAQK-CABCVRRESA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)n1 ZINC000245538245 1028781980 /nfs/dbraw/zinc/78/19/80/1028781980.db2.gz MTFQEFYXNSFAQK-CABCVRRESA-N 1 2 349.500 3.657 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000502893692 1028790637 /nfs/dbraw/zinc/79/06/37/1028790637.db2.gz RXFVPKBCBZINIF-MRXNPFEDSA-N 1 2 341.352 3.818 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000502893692 1028790643 /nfs/dbraw/zinc/79/06/43/1028790643.db2.gz RXFVPKBCBZINIF-MRXNPFEDSA-N 1 2 341.352 3.818 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000421822707 1028809959 /nfs/dbraw/zinc/80/99/59/1028809959.db2.gz BCXLGYQLPPGMIJ-SNVBAGLBSA-N 1 2 347.768 3.958 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245548173 1028812082 /nfs/dbraw/zinc/81/20/82/1028812082.db2.gz YGJIPEFWOJMLIG-YLJYHZDGSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245548173 1028812098 /nfs/dbraw/zinc/81/20/98/1028812098.db2.gz YGJIPEFWOJMLIG-YLJYHZDGSA-N 1 2 339.483 3.978 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@H](C)SCC)no2)C12CCC2 ZINC000247987184 1028834754 /nfs/dbraw/zinc/83/47/54/1028834754.db2.gz IYLGHENJEKHYOB-MELADBBJSA-N 1 2 339.505 3.663 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@H](C)SCC)no2)C12CCC2 ZINC000247987184 1028834773 /nfs/dbraw/zinc/83/47/73/1028834773.db2.gz IYLGHENJEKHYOB-MELADBBJSA-N 1 2 339.505 3.663 20 0 EHADLO Oc1ccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000445479701 1028837425 /nfs/dbraw/zinc/83/74/25/1028837425.db2.gz KFWQEUUAKKYOGU-BAQGIRSFSA-N 1 2 348.337 3.937 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccncc1Cl ZINC000421851269 1028838231 /nfs/dbraw/zinc/83/82/31/1028838231.db2.gz GAHDZBWPGWHDIW-JTQLQIEISA-N 1 2 327.762 3.625 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@H]1c1cccc(F)c1 ZINC000248392615 1028879045 /nfs/dbraw/zinc/87/90/45/1028879045.db2.gz WGMILDWVKFESRZ-FZKQIMNGSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@H]1c1cccc(F)c1 ZINC000248392615 1028879063 /nfs/dbraw/zinc/87/90/63/1028879063.db2.gz WGMILDWVKFESRZ-FZKQIMNGSA-N 1 2 328.435 3.805 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3C3CCC3)cn2c1 ZINC000343061748 1028879934 /nfs/dbraw/zinc/87/99/34/1028879934.db2.gz HRFQCIZOLYKRBR-KRWDZBQOSA-N 1 2 343.496 3.667 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1 ZINC000248523272 1028883540 /nfs/dbraw/zinc/88/35/40/1028883540.db2.gz CAKMSDQCMQWHHO-VQFNDLOPSA-N 1 2 330.472 3.530 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nccn1C(F)F ZINC000424199366 1028884030 /nfs/dbraw/zinc/88/40/30/1028884030.db2.gz KTJRUUFUOHQYEE-UHFFFAOYSA-N 1 2 329.778 3.965 20 0 EHADLO Cc1cc(Cl)ccc1Cc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000445587036 1028948231 /nfs/dbraw/zinc/94/82/31/1028948231.db2.gz CATGMEIPIKGWQB-AWEZNQCLSA-N 1 2 337.876 3.560 20 0 EHADLO Cc1cc(Cl)ccc1Cc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000445587036 1028948245 /nfs/dbraw/zinc/94/82/45/1028948245.db2.gz CATGMEIPIKGWQB-AWEZNQCLSA-N 1 2 337.876 3.560 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@H](C2CCCC2)C1 ZINC000421944012 1028951465 /nfs/dbraw/zinc/95/14/65/1028951465.db2.gz DZENZCPDVRKZCC-IBGZPJMESA-N 1 2 337.467 3.513 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@@H](C2CCCC2)C1 ZINC000421944014 1028951702 /nfs/dbraw/zinc/95/17/02/1028951702.db2.gz DZENZCPDVRKZCC-LJQANCHMSA-N 1 2 337.467 3.513 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459383961 1028983878 /nfs/dbraw/zinc/98/38/78/1028983878.db2.gz HKLWXLBHXMQQST-MOXGXCLJSA-N 1 2 345.487 3.636 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350193 1028996687 /nfs/dbraw/zinc/99/66/87/1028996687.db2.gz ANNYPXIQOXETAK-OCCSQVGLSA-N 1 2 328.441 3.719 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350193 1028996706 /nfs/dbraw/zinc/99/67/06/1028996706.db2.gz ANNYPXIQOXETAK-OCCSQVGLSA-N 1 2 328.441 3.719 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809442 1029049246 /nfs/dbraw/zinc/04/92/46/1029049246.db2.gz QSAACJNAJAUUBX-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809442 1029049264 /nfs/dbraw/zinc/04/92/64/1029049264.db2.gz QSAACJNAJAUUBX-TZMCWYRMSA-N 1 2 347.821 3.691 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](c1ccccc1)C1CC1 ZINC000124173950 1029150478 /nfs/dbraw/zinc/15/04/78/1029150478.db2.gz NAIRGEGZWDUCMI-OAQYLSRUSA-N 1 2 349.478 3.882 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000475634799 1029163711 /nfs/dbraw/zinc/16/37/11/1029163711.db2.gz LBWYBNSLERIBDR-CQSZACIVSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nonc2C)cc1 ZINC000271791132 1029172692 /nfs/dbraw/zinc/17/26/92/1029172692.db2.gz KDMXUVLYMBCBMT-GOSISDBHSA-N 1 2 341.386 3.599 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000271812898 1029184176 /nfs/dbraw/zinc/18/41/76/1029184176.db2.gz RURGPEDSGMUEKE-INIZCTEOSA-N 1 2 331.412 3.952 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000424629904 1029191318 /nfs/dbraw/zinc/19/13/18/1029191318.db2.gz PBRBYSNJKQRIKY-INIZCTEOSA-N 1 2 325.456 3.693 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC000424645001 1029208329 /nfs/dbraw/zinc/20/83/29/1029208329.db2.gz NLNWGVULGMPCOT-PVAVHDDUSA-N 1 2 334.435 3.547 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092146677 1029253199 /nfs/dbraw/zinc/25/31/99/1029253199.db2.gz KEELNSBPGFLMGM-UHFFFAOYSA-N 1 2 335.411 3.609 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CCCCC2)c(C)c1 ZINC000533075221 1029278500 /nfs/dbraw/zinc/27/85/00/1029278500.db2.gz GQWBROKFXYMCIA-LJQANCHMSA-N 1 2 340.471 3.873 20 0 EHADLO CC[C@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000533084755 1029294684 /nfs/dbraw/zinc/29/46/84/1029294684.db2.gz ZFULIMPAFBBKJZ-HKUYNNGSSA-N 1 2 340.471 3.683 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[C@@H](F)C2)c(C)c1 ZINC000424738659 1029310467 /nfs/dbraw/zinc/31/04/67/1029310467.db2.gz PPNBXZWKBPDOKN-LMMKCTJWSA-N 1 2 343.446 3.886 20 0 EHADLO C[C@H]1[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCN1c1ccccc1 ZINC000475988482 1029335346 /nfs/dbraw/zinc/33/53/46/1029335346.db2.gz URLSMCASFWJQFL-HNAYVOBHSA-N 1 2 346.434 3.930 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)C1CCCCC1 ZINC000455580351 1029349941 /nfs/dbraw/zinc/34/99/41/1029349941.db2.gz YIWWFYIRWFQMJZ-GOSISDBHSA-N 1 2 337.467 3.807 20 0 EHADLO Cc1cc(Cl)cc2cc(-c3noc(Cc4c[nH+]cn4C)n3)oc21 ZINC000583234067 1029352535 /nfs/dbraw/zinc/35/25/35/1029352535.db2.gz KYGFFYJXAFWWOX-UHFFFAOYSA-N 1 2 328.759 3.769 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cs1 ZINC000272213410 1029361997 /nfs/dbraw/zinc/36/19/97/1029361997.db2.gz JKRJDOMWHAMBJB-AWEZNQCLSA-N 1 2 331.489 3.689 20 0 EHADLO c1nc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cs1 ZINC000272213410 1029362015 /nfs/dbraw/zinc/36/20/15/1029362015.db2.gz JKRJDOMWHAMBJB-AWEZNQCLSA-N 1 2 331.489 3.689 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2N(C)C(C)C)c[nH+]1 ZINC000454831998 1029362765 /nfs/dbraw/zinc/36/27/65/1029362765.db2.gz SZFHAAGQPDPLLV-UHFFFAOYSA-N 1 2 340.471 3.542 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000454838779 1029369501 /nfs/dbraw/zinc/36/95/01/1029369501.db2.gz YMDBRYMNUARBCH-QWHCGFSZSA-N 1 2 332.835 3.514 20 0 EHADLO CC(C)n1cc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cn1 ZINC000272232385 1029372128 /nfs/dbraw/zinc/37/21/28/1029372128.db2.gz HXMBGJNMMFXMOI-OWCLPIDISA-N 1 2 343.475 3.646 20 0 EHADLO CC(C)=CCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454861545 1029381767 /nfs/dbraw/zinc/38/17/67/1029381767.db2.gz VQDXQSWLPBXCBF-UHFFFAOYSA-N 1 2 332.835 3.681 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1cccc2ccccc21 ZINC000446071567 1029388755 /nfs/dbraw/zinc/38/87/55/1029388755.db2.gz JXDRUDPFHXTIHZ-NCOADZHNSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1cccc2ccccc21 ZINC000446071567 1029388771 /nfs/dbraw/zinc/38/87/71/1029388771.db2.gz JXDRUDPFHXTIHZ-NCOADZHNSA-N 1 2 340.467 3.515 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1O ZINC000272268848 1029389326 /nfs/dbraw/zinc/38/93/26/1029389326.db2.gz AUUBXZNBFCGFDJ-WFASDCNBSA-N 1 2 337.414 3.660 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1O ZINC000272268848 1029389333 /nfs/dbraw/zinc/38/93/33/1029389333.db2.gz AUUBXZNBFCGFDJ-WFASDCNBSA-N 1 2 337.414 3.660 20 0 EHADLO COCC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C)o1 ZINC000272273060 1029392253 /nfs/dbraw/zinc/39/22/53/1029392253.db2.gz KPXTWBPSSGSNNB-HNNXBMFYSA-N 1 2 333.819 3.757 20 0 EHADLO COCC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(C)o1 ZINC000272376918 1029439271 /nfs/dbraw/zinc/43/92/71/1029439271.db2.gz YDEFKCLNHRJLDH-QGZVFWFLSA-N 1 2 325.412 3.846 20 0 EHADLO COc1cccc(C[C@@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000261485031 1029445065 /nfs/dbraw/zinc/44/50/65/1029445065.db2.gz PYEJJYNXLVXABF-MRXNPFEDSA-N 1 2 349.434 3.550 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCCCCC(=O)C2)ccc1Cl ZINC000487519434 1029455935 /nfs/dbraw/zinc/45/59/35/1029455935.db2.gz LHFFLXICBQLDTA-CYBMUJFWSA-N 1 2 336.863 3.880 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000611757893 1029460787 /nfs/dbraw/zinc/46/07/87/1029460787.db2.gz NRXYVOZPGKGZQP-NXWXRZEISA-N 1 2 337.467 3.566 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000454946779 1029485733 /nfs/dbraw/zinc/48/57/33/1029485733.db2.gz UDZNFAATTLYPGC-YOEHRIQHSA-N 1 2 331.485 3.801 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)Cc2noc(C[NH+](CC)CC)n2)cc1 ZINC000278172578 1029501627 /nfs/dbraw/zinc/50/16/27/1029501627.db2.gz WLXOUVVGHKPSTK-AWEZNQCLSA-N 1 2 344.459 3.606 20 0 EHADLO COCC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccco1 ZINC000272544721 1029506137 /nfs/dbraw/zinc/50/61/37/1029506137.db2.gz LLWUHIBGYOJPSV-CQSZACIVSA-N 1 2 329.425 3.666 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000434275761 1029548337 /nfs/dbraw/zinc/54/83/37/1029548337.db2.gz RAOFKNFXYFJJIZ-ZWKOTPCHSA-N 1 2 338.455 3.640 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2c(C)cc(N(C)C)cc2C)c[nH+]1 ZINC000455006251 1029565054 /nfs/dbraw/zinc/56/50/54/1029565054.db2.gz HYBIDOPUGSHNQM-UHFFFAOYSA-N 1 2 326.444 3.703 20 0 EHADLO CCOc1ccc(F)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1F ZINC000455025411 1029571270 /nfs/dbraw/zinc/57/12/70/1029571270.db2.gz PTBMGHYJYRHOIM-UHFFFAOYSA-N 1 2 335.354 3.697 20 0 EHADLO Cc1cc(NCc2ccc(O)c(Br)c2)nc(C2CC2)[nH+]1 ZINC000155628630 1029593073 /nfs/dbraw/zinc/59/30/73/1029593073.db2.gz CMMSHCHRHZYNJZ-UHFFFAOYSA-N 1 2 334.217 3.743 20 0 EHADLO Clc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)s1 ZINC000079320005 1029607789 /nfs/dbraw/zinc/60/77/89/1029607789.db2.gz YSLZNFOLQSYOPE-CYBMUJFWSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)s1 ZINC000079320005 1029607796 /nfs/dbraw/zinc/60/77/96/1029607796.db2.gz YSLZNFOLQSYOPE-CYBMUJFWSA-N 1 2 336.844 3.905 20 0 EHADLO Cc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000343170822 1029608025 /nfs/dbraw/zinc/60/80/25/1029608025.db2.gz PJIIHUJROLTLBO-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CCO1 ZINC000246071768 1029629916 /nfs/dbraw/zinc/62/99/16/1029629916.db2.gz FHEJJGSPQGAZRH-AXUOBQJMSA-N 1 2 330.472 3.527 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CCO1 ZINC000246071797 1029630116 /nfs/dbraw/zinc/63/01/16/1029630116.db2.gz FHEJJGSPQGAZRH-ZWQIFLOQSA-N 1 2 330.472 3.527 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000155742531 1029639387 /nfs/dbraw/zinc/63/93/87/1029639387.db2.gz XFPGTKAWGBLMTN-GOSISDBHSA-N 1 2 346.434 3.507 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000052275929 1029661868 /nfs/dbraw/zinc/66/18/68/1029661868.db2.gz ADELUPBJPOUMCY-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000052275929 1029661874 /nfs/dbraw/zinc/66/18/74/1029661874.db2.gz ADELUPBJPOUMCY-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000079602728 1029677008 /nfs/dbraw/zinc/67/70/08/1029677008.db2.gz LDDNZWUENLOIQW-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(CC(F)(F)F)CC1 ZINC000347387506 1029720172 /nfs/dbraw/zinc/72/01/72/1029720172.db2.gz QGYYRSBHMIYIPD-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1nc(C2CC2)no1 ZINC000126521266 1029740966 /nfs/dbraw/zinc/74/09/66/1029740966.db2.gz ZAHXWLRGOBIOAP-UONOGXRCSA-N 1 2 326.444 3.959 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000525233285 1029761112 /nfs/dbraw/zinc/76/11/12/1029761112.db2.gz RORKSTHHZOSWQP-UHFFFAOYSA-N 1 2 330.432 3.662 20 0 EHADLO C[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H]1CCCc2ccccc21 ZINC000525270997 1029765913 /nfs/dbraw/zinc/76/59/13/1029765913.db2.gz XIYPMNWVPWVAIZ-ZDUSSCGKSA-N 1 2 325.334 3.684 20 0 EHADLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H]1CCCc2ccccc21 ZINC000525270997 1029765920 /nfs/dbraw/zinc/76/59/20/1029765920.db2.gz XIYPMNWVPWVAIZ-ZDUSSCGKSA-N 1 2 325.334 3.684 20 0 EHADLO FC(F)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278238577 1029771737 /nfs/dbraw/zinc/77/17/37/1029771737.db2.gz YWXLEVWIADILGJ-ZIAGYGMSSA-N 1 2 335.354 3.600 20 0 EHADLO FC(F)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278238577 1029771744 /nfs/dbraw/zinc/77/17/44/1029771744.db2.gz YWXLEVWIADILGJ-ZIAGYGMSSA-N 1 2 335.354 3.600 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455632194 1029799641 /nfs/dbraw/zinc/79/96/41/1029799641.db2.gz USBBVSOCZSSUSF-CVEARBPZSA-N 1 2 346.519 3.933 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000079987443 1029804996 /nfs/dbraw/zinc/80/49/96/1029804996.db2.gz XVJZPFUKFGVCPO-KRWDZBQOSA-N 1 2 348.450 3.800 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455649162 1029811646 /nfs/dbraw/zinc/81/16/46/1029811646.db2.gz PZTUSPUFWNKQRY-RDTXWAMCSA-N 1 2 345.874 3.955 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000533813530 1029860334 /nfs/dbraw/zinc/86/03/34/1029860334.db2.gz OVMZRFJDHNIDLW-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000446940546 1029861146 /nfs/dbraw/zinc/86/11/46/1029861146.db2.gz VKALXTLNEIXYRX-NDGOPHNLSA-N 1 2 339.464 3.587 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039696 1029872265 /nfs/dbraw/zinc/87/22/65/1029872265.db2.gz MGMWSPBATNKRFM-OSFYFWSMSA-N 1 2 332.410 3.510 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039696 1029872270 /nfs/dbraw/zinc/87/22/70/1029872270.db2.gz MGMWSPBATNKRFM-OSFYFWSMSA-N 1 2 332.410 3.510 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000428463935 1029873571 /nfs/dbraw/zinc/87/35/71/1029873571.db2.gz OLRSJFCKOHRQHT-UHFFFAOYSA-N 1 2 343.723 3.951 20 0 EHADLO C[C@H]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000428687268 1029911385 /nfs/dbraw/zinc/91/13/85/1029911385.db2.gz DGECQILJDNFLHF-ZFWWWQNUSA-N 1 2 336.505 3.781 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)o1 ZINC000531868604 1029942059 /nfs/dbraw/zinc/94/20/59/1029942059.db2.gz KVIXIAJBTLYVQH-UHFFFAOYSA-N 1 2 341.407 3.754 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000343262698 1029967796 /nfs/dbraw/zinc/96/77/96/1029967796.db2.gz DPOSWYFORLCJBH-CQSZACIVSA-N 1 2 345.406 3.548 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000089856291 1030009756 /nfs/dbraw/zinc/00/97/56/1030009756.db2.gz IQXVVKQFDXHERJ-INIZCTEOSA-N 1 2 349.434 3.775 20 0 EHADLO CO[C@H](Cc1ccccc1)c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000453242488 1030010993 /nfs/dbraw/zinc/01/09/93/1030010993.db2.gz CBJMRAPDPCGYIJ-QZTJIDSGSA-N 1 2 337.423 3.651 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)ccc2F)c1C ZINC000058605984 1030053926 /nfs/dbraw/zinc/05/39/26/1030053926.db2.gz IHOSMIXWWWIPCR-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120590277 1030071148 /nfs/dbraw/zinc/07/11/48/1030071148.db2.gz CFADUQYWBYNTNL-IBGZPJMESA-N 1 2 338.451 3.602 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCC2 ZINC000453305799 1030074741 /nfs/dbraw/zinc/07/47/41/1030074741.db2.gz RPBVPOAVBDMZQR-AWEZNQCLSA-N 1 2 325.309 3.802 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1OC(F)F ZINC000453316127 1030092163 /nfs/dbraw/zinc/09/21/63/1030092163.db2.gz HVQIHQWZOVRTLP-SECBINFHSA-N 1 2 345.777 3.534 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000447295903 1030093077 /nfs/dbraw/zinc/09/30/77/1030093077.db2.gz MZTGPOAONSFERP-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)[nH+]1 ZINC000531962088 1030147557 /nfs/dbraw/zinc/14/75/57/1030147557.db2.gz MZJAZBYLZBJXGT-CQSZACIVSA-N 1 2 349.398 3.521 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000525826241 1030149892 /nfs/dbraw/zinc/14/98/92/1030149892.db2.gz ZHIMIOPXGUYFHI-HOCLYGCPSA-N 1 2 335.407 3.827 20 0 EHADLO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)o1 ZINC000453392597 1030238888 /nfs/dbraw/zinc/23/88/88/1030238888.db2.gz RBCLJCHTRGLJGM-LBPRGKRZSA-N 1 2 345.834 3.712 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000657772805 1030244543 /nfs/dbraw/zinc/24/45/43/1030244543.db2.gz NWEOPHYMHAERBX-AWEZNQCLSA-N 1 2 341.238 3.610 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000159575304 1030275355 /nfs/dbraw/zinc/27/53/55/1030275355.db2.gz YAZYLJHYWGVNRE-OYHNWAKOSA-N 1 2 336.526 3.650 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091704414 1030292273 /nfs/dbraw/zinc/29/22/73/1030292273.db2.gz AYMSFEGLNGDJGR-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091704414 1030292291 /nfs/dbraw/zinc/29/22/91/1030292291.db2.gz AYMSFEGLNGDJGR-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)sc2C1 ZINC000121589715 1030302988 /nfs/dbraw/zinc/30/29/88/1030302988.db2.gz IWRAAHDHWTWIFX-BFHYXJOUSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)sc2C1 ZINC000121589715 1030303002 /nfs/dbraw/zinc/30/30/02/1030303002.db2.gz IWRAAHDHWTWIFX-BFHYXJOUSA-N 1 2 333.501 3.676 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CCC(C)(C)CC1)C2 ZINC000526010728 1030324131 /nfs/dbraw/zinc/32/41/31/1030324131.db2.gz PDENXMWWQCCJRI-OAHLLOKOSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CCC(C)(C)CC1)CC2 ZINC000526010728 1030324149 /nfs/dbraw/zinc/32/41/49/1030324149.db2.gz PDENXMWWQCCJRI-OAHLLOKOSA-N 1 2 331.504 3.971 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(F)(c2ccccc2)CC1 ZINC000447606321 1030363241 /nfs/dbraw/zinc/36/32/41/1030363241.db2.gz DCJHPEJVNFGZDB-UHFFFAOYSA-N 1 2 349.409 3.973 20 0 EHADLO Cc1[nH+]cc(CNc2cccc([S@@](C)=O)c2)n1-c1ccccc1 ZINC000121762880 1030368693 /nfs/dbraw/zinc/36/86/93/1030368693.db2.gz IJFIRWWSTPJQSZ-QHCPKHFHSA-N 1 2 325.437 3.530 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000429722815 1030379688 /nfs/dbraw/zinc/37/96/88/1030379688.db2.gz TWPMUAYELOBMPD-SFHVURJKSA-N 1 2 337.423 3.586 20 0 EHADLO C[C@H]1C[N@H+](CCN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726962 1030384879 /nfs/dbraw/zinc/38/48/79/1030384879.db2.gz WGEYCGWJMJAAAU-SUMWQHHRSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@H]1C[N@@H+](CCN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000429726962 1030384896 /nfs/dbraw/zinc/38/48/96/1030384896.db2.gz WGEYCGWJMJAAAU-SUMWQHHRSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343346306 1030418533 /nfs/dbraw/zinc/41/85/33/1030418533.db2.gz GLXSIYRGOUUIGF-KRWDZBQOSA-N 1 2 348.450 3.924 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@@H]1c1ccccc1 ZINC000567970515 1030432769 /nfs/dbraw/zinc/43/27/69/1030432769.db2.gz GMBJCDKWCNTHET-YJBOKZPZSA-N 1 2 334.423 3.992 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)c1cccc(Cl)c1 ZINC000647303679 1030457399 /nfs/dbraw/zinc/45/73/99/1030457399.db2.gz IHZSBRSNMDFQKH-FZKQIMNGSA-N 1 2 333.863 3.911 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1(C(F)F)CC1 ZINC000548805575 1030459917 /nfs/dbraw/zinc/45/99/17/1030459917.db2.gz KTZVEWSHRKOHFO-SECBINFHSA-N 1 2 336.304 3.810 20 0 EHADLO C[C@@H](CC(=O)NCC(C)(C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000567991191 1030484247 /nfs/dbraw/zinc/48/42/47/1030484247.db2.gz LTBBNQDMZXXBGS-AWEZNQCLSA-N 1 2 333.863 3.873 20 0 EHADLO CC(C)[C@H]1C[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)c2ccccc21 ZINC000447804049 1030486078 /nfs/dbraw/zinc/48/60/78/1030486078.db2.gz VVSAUYQGYPJMEQ-QZTJIDSGSA-N 1 2 338.455 3.610 20 0 EHADLO CC(C)[C@H]1C[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)c2ccccc21 ZINC000447804049 1030486081 /nfs/dbraw/zinc/48/60/81/1030486081.db2.gz VVSAUYQGYPJMEQ-QZTJIDSGSA-N 1 2 338.455 3.610 20 0 EHADLO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1n[nH]cc1Br ZINC000532225744 1030493334 /nfs/dbraw/zinc/49/33/34/1030493334.db2.gz RAKKQRJVCIBCAO-BJOHPYRUSA-N 1 2 338.224 3.725 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccc(SC)c(OC)c1 ZINC000447825526 1030503565 /nfs/dbraw/zinc/50/35/65/1030503565.db2.gz FCXZENCFAXMJGO-UHFFFAOYSA-N 1 2 338.498 3.522 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccc(SC)c(OC)c1 ZINC000447825526 1030503571 /nfs/dbraw/zinc/50/35/71/1030503571.db2.gz FCXZENCFAXMJGO-UHFFFAOYSA-N 1 2 338.498 3.522 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000278383487 1030509891 /nfs/dbraw/zinc/50/98/91/1030509891.db2.gz ZBMBCJCEYWVBNW-GDBMZVCRSA-N 1 2 326.444 3.631 20 0 EHADLO COCCCn1nccc1CNc1ccc(Nc2ccccc2)c[nH+]1 ZINC000657786712 1030527574 /nfs/dbraw/zinc/52/75/74/1030527574.db2.gz SSJTXBOUJQXZSO-UHFFFAOYSA-N 1 2 337.427 3.670 20 0 EHADLO FC(F)(F)c1nn(Cc2nc(-c3ccccc3)no2)c2cc[nH+]cc21 ZINC000092918436 1030536046 /nfs/dbraw/zinc/53/60/46/1030536046.db2.gz JQNKHGKHNYJBFW-UHFFFAOYSA-N 1 2 345.284 3.548 20 0 EHADLO Fc1cccnc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000526990588 1030549679 /nfs/dbraw/zinc/54/96/79/1030549679.db2.gz DEJYDBKBWOACPM-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)ncc1Br ZINC000628121049 1030553422 /nfs/dbraw/zinc/55/34/22/1030553422.db2.gz PFGWUJPUYKQJAQ-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)ncc1Br ZINC000628121049 1030553432 /nfs/dbraw/zinc/55/34/32/1030553432.db2.gz PFGWUJPUYKQJAQ-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cnc3c(c1)CCCC3)C2 ZINC000527005627 1030559670 /nfs/dbraw/zinc/55/96/70/1030559670.db2.gz IUHGLALNMMXBLG-AWEZNQCLSA-N 1 2 338.455 3.551 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cnc3c(c1)CCCC3)CC2 ZINC000527005627 1030559679 /nfs/dbraw/zinc/55/96/79/1030559679.db2.gz IUHGLALNMMXBLG-AWEZNQCLSA-N 1 2 338.455 3.551 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000343373214 1030560443 /nfs/dbraw/zinc/56/04/43/1030560443.db2.gz NTBCBDWHCONQEJ-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000532345595 1030571192 /nfs/dbraw/zinc/57/11/92/1030571192.db2.gz GWEGGXPCANROKM-QAPCUYQASA-N 1 2 337.423 3.672 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CCOC4(CCCCC4)C3)sc2c1 ZINC000475690937 1030583574 /nfs/dbraw/zinc/58/35/74/1030583574.db2.gz BNQDNKBTUDZQTF-UHFFFAOYSA-N 1 2 332.469 3.840 20 0 EHADLO COc1ccc2nc(C[N@H+]3CCOC4(CCCCC4)C3)sc2c1 ZINC000475690937 1030583586 /nfs/dbraw/zinc/58/35/86/1030583586.db2.gz BNQDNKBTUDZQTF-UHFFFAOYSA-N 1 2 332.469 3.840 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3cc4ccccc4o3)[nH+]c12 ZINC000527036761 1030584998 /nfs/dbraw/zinc/58/49/98/1030584998.db2.gz MTXUIPXQYUUYMA-AWEZNQCLSA-N 1 2 333.391 3.809 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1nnc2ccccn21 ZINC000447927810 1030604021 /nfs/dbraw/zinc/60/40/21/1030604021.db2.gz GCQSNNBFLSLKHQ-INIZCTEOSA-N 1 2 343.500 3.970 20 0 EHADLO CC(=O)OC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000157538410 1030626343 /nfs/dbraw/zinc/62/63/43/1030626343.db2.gz LFKCTJHSVUNGMA-UHFFFAOYSA-N 1 2 349.228 3.529 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000093606435 1030641286 /nfs/dbraw/zinc/64/12/86/1030641286.db2.gz ZYXDWOHSKMDWRA-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000093606435 1030641298 /nfs/dbraw/zinc/64/12/98/1030641298.db2.gz ZYXDWOHSKMDWRA-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@H]1CCCCO1 ZINC000482694781 1030643439 /nfs/dbraw/zinc/64/34/39/1030643439.db2.gz DXLOXPGIODKANM-QWHCGFSZSA-N 1 2 335.448 3.906 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000482694781 1030643454 /nfs/dbraw/zinc/64/34/54/1030643454.db2.gz DXLOXPGIODKANM-QWHCGFSZSA-N 1 2 335.448 3.906 20 0 EHADLO CO[C@@H]1CCOc2c(NC3CCN(c4cccc[nH+]4)CC3)cccc21 ZINC000448027306 1030659326 /nfs/dbraw/zinc/65/93/26/1030659326.db2.gz MKWRLRTXXRLKAN-GOSISDBHSA-N 1 2 339.439 3.633 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000666025507 1030661752 /nfs/dbraw/zinc/66/17/52/1030661752.db2.gz XFVWEAUYLQVNOU-OAGGEKHMSA-N 1 2 329.831 3.541 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CCSC[C@H]2C)c(C)n1Cc1ccco1 ZINC000448013487 1030667209 /nfs/dbraw/zinc/66/72/09/1030667209.db2.gz XBCGWLANYXAPOI-GDBMZVCRSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CCSC[C@H]2C)c(C)n1Cc1ccco1 ZINC000448013487 1030667215 /nfs/dbraw/zinc/66/72/15/1030667215.db2.gz XBCGWLANYXAPOI-GDBMZVCRSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841383 1030681503 /nfs/dbraw/zinc/68/15/03/1030681503.db2.gz KYXZUPZWIPYTGV-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841383 1030681509 /nfs/dbraw/zinc/68/15/09/1030681509.db2.gz KYXZUPZWIPYTGV-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OCc1cccs1 ZINC000360075058 1030729700 /nfs/dbraw/zinc/72/97/00/1030729700.db2.gz KVRILFYHUOSPMO-IYBDPMFKSA-N 1 2 345.464 3.699 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OCc1cccs1 ZINC000360075058 1030729718 /nfs/dbraw/zinc/72/97/18/1030729718.db2.gz KVRILFYHUOSPMO-IYBDPMFKSA-N 1 2 345.464 3.699 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)C2 ZINC000527248396 1030736207 /nfs/dbraw/zinc/73/62/07/1030736207.db2.gz GAYSZHOUHHUBQJ-BFYDXBDKSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)CC2 ZINC000527248396 1030736213 /nfs/dbraw/zinc/73/62/13/1030736213.db2.gz GAYSZHOUHHUBQJ-BFYDXBDKSA-N 1 2 329.488 3.723 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2cn[nH]n2)cc1 ZINC000550885744 1030761438 /nfs/dbraw/zinc/76/14/38/1030761438.db2.gz KSAXFTVVWNQBKK-HXUWFJFHSA-N 1 2 349.413 3.737 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2c[nH]nn2)cc1 ZINC000550885744 1030761450 /nfs/dbraw/zinc/76/14/50/1030761450.db2.gz KSAXFTVVWNQBKK-HXUWFJFHSA-N 1 2 349.413 3.737 20 0 EHADLO Cc1csc(=O)n1CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000171109820 1030764721 /nfs/dbraw/zinc/76/47/21/1030764721.db2.gz FYDSTEMCZBNFCS-UHFFFAOYSA-N 1 2 331.268 3.657 20 0 EHADLO Cc1csc(=O)n1CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000171109820 1030764738 /nfs/dbraw/zinc/76/47/38/1030764738.db2.gz FYDSTEMCZBNFCS-UHFFFAOYSA-N 1 2 331.268 3.657 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCS1 ZINC000171694088 1030805366 /nfs/dbraw/zinc/80/53/66/1030805366.db2.gz IXOJWVARPCTBJP-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCS1 ZINC000171694088 1030805390 /nfs/dbraw/zinc/80/53/90/1030805390.db2.gz IXOJWVARPCTBJP-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO CCO[C@@H](C)c1nc(CC(=O)Nc2c(C)cc(C)[nH+]c2C)cs1 ZINC000343427693 1030836064 /nfs/dbraw/zinc/83/60/64/1030836064.db2.gz GGILNMQPOLOMJX-ZDUSSCGKSA-N 1 2 333.457 3.742 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Br)ccc3C)ccc2[nH+]1 ZINC000525665363 1030841588 /nfs/dbraw/zinc/84/15/88/1030841588.db2.gz MJPAYCODEJKWGJ-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO CCC1CCC(N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635245837 1030856348 /nfs/dbraw/zinc/85/63/48/1030856348.db2.gz TYUXNMGFKALOME-RUXDESIVSA-N 1 2 331.382 3.804 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000666034046 1030856687 /nfs/dbraw/zinc/85/66/87/1030856687.db2.gz ZJEXGZWLZMNZNQ-GOSISDBHSA-N 1 2 342.443 3.518 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(-n2cccc2)s1 ZINC000668191228 1030909687 /nfs/dbraw/zinc/90/96/87/1030909687.db2.gz ACBORVOMKMFMNW-OAHLLOKOSA-N 1 2 340.452 3.521 20 0 EHADLO CCOc1ccc(CCC2CC[NH+](Cc3csnn3)CC2)cc1 ZINC000123103627 1030923250 /nfs/dbraw/zinc/92/32/50/1030923250.db2.gz UDAWAEFGYVUVAF-UHFFFAOYSA-N 1 2 331.485 3.782 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000436088956 1030929701 /nfs/dbraw/zinc/92/97/01/1030929701.db2.gz NAYUDMBUPKWHMK-LLVKDONJSA-N 1 2 336.798 3.624 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000527508920 1030939409 /nfs/dbraw/zinc/93/94/09/1030939409.db2.gz RLXAYBVGVLMWFA-JCNLHEQBSA-N 1 2 346.862 3.562 20 0 EHADLO CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000668200021 1030943604 /nfs/dbraw/zinc/94/36/04/1030943604.db2.gz KHTRPLYSEMLMHX-KZNAEPCWSA-N 1 2 341.455 3.580 20 0 EHADLO CN(C)C(=O)CCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000568180861 1030945494 /nfs/dbraw/zinc/94/54/94/1030945494.db2.gz DPIQDUSYIZZHCG-INIZCTEOSA-N 1 2 348.878 3.612 20 0 EHADLO CN(C)C(=O)CCC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000568180861 1030945500 /nfs/dbraw/zinc/94/55/00/1030945500.db2.gz DPIQDUSYIZZHCG-INIZCTEOSA-N 1 2 348.878 3.612 20 0 EHADLO O=C(C[NH+]1CCC(c2cccc(Cl)c2)CC1)Nc1nccs1 ZINC000483120251 1030965749 /nfs/dbraw/zinc/96/57/49/1030965749.db2.gz MGDJPSWNUHGHCS-UHFFFAOYSA-N 1 2 335.860 3.615 20 0 EHADLO Cc1[nH+]cc(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)n1C ZINC000668209679 1030975120 /nfs/dbraw/zinc/97/51/20/1030975120.db2.gz ISNQDIQJDQMQFY-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000483113309 1030975815 /nfs/dbraw/zinc/97/58/15/1030975815.db2.gz AYHHHBSMFVNVRY-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000483113309 1030975821 /nfs/dbraw/zinc/97/58/21/1030975821.db2.gz AYHHHBSMFVNVRY-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000157981310 1030993061 /nfs/dbraw/zinc/99/30/61/1030993061.db2.gz ZPJJBXAVHWFKFJ-GFCCVEGCSA-N 1 2 345.493 3.563 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343463699 1030996050 /nfs/dbraw/zinc/99/60/50/1030996050.db2.gz CSUMWZUAVDPYEB-UHFFFAOYSA-N 1 2 347.418 3.973 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC2(CCOCC2)O1 ZINC000448371398 1031005626 /nfs/dbraw/zinc/00/56/26/1031005626.db2.gz MVFRIYDUZVWIIR-NSHDSACASA-N 1 2 335.391 3.537 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC2(CCOCC2)O1 ZINC000448371398 1031005646 /nfs/dbraw/zinc/00/56/46/1031005646.db2.gz MVFRIYDUZVWIIR-NSHDSACASA-N 1 2 335.391 3.537 20 0 EHADLO CCNc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000902636063 1031006945 /nfs/dbraw/zinc/00/69/45/1031006945.db2.gz DVLLAMKEHOOXLT-UHFFFAOYSA-N 1 2 326.263 3.627 20 0 EHADLO CC(C)(C)c1nsc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000158022875 1031019163 /nfs/dbraw/zinc/01/91/63/1031019163.db2.gz NRSPDAQGUAKWJP-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1nnc2n1CCCCC2 ZINC000924623287 1031050625 /nfs/dbraw/zinc/05/06/25/1031050625.db2.gz CUDWUZJIHQQMFS-WFASDCNBSA-N 1 2 345.878 3.781 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000668227777 1031065928 /nfs/dbraw/zinc/06/59/28/1031065928.db2.gz SNABDJLPDJRTFJ-KBRIMQKVSA-N 1 2 343.496 3.902 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4sc(Cl)cc4C3)ccn12 ZINC000568226484 1031127887 /nfs/dbraw/zinc/12/78/87/1031127887.db2.gz AZKBPNXLMCZHDJ-UHFFFAOYSA-N 1 2 331.828 3.556 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000527696700 1031129771 /nfs/dbraw/zinc/12/97/71/1031129771.db2.gz KCDSEVVHZUHGES-UHFFFAOYSA-N 1 2 340.492 3.514 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000343496489 1031132211 /nfs/dbraw/zinc/13/22/11/1031132211.db2.gz GDPAWJUSPCXWPT-UHFFFAOYSA-N 1 2 341.436 3.940 20 0 EHADLO C[C@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@]2(CCCOC2)O1 ZINC000483419011 1031154208 /nfs/dbraw/zinc/15/42/08/1031154208.db2.gz OSFQUAOOFAZDPH-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@]2(CCCOC2)O1 ZINC000483419011 1031154215 /nfs/dbraw/zinc/15/42/15/1031154215.db2.gz OSFQUAOOFAZDPH-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527726503 1031155894 /nfs/dbraw/zinc/15/58/94/1031155894.db2.gz PASSODHHHFVMRI-UHFFFAOYSA-N 1 2 340.492 3.514 20 0 EHADLO CCc1ccc([C@H]2CN(Cc3c[nH+]c4c(C)cccn34)CCO2)cc1 ZINC000483428791 1031159440 /nfs/dbraw/zinc/15/94/40/1031159440.db2.gz OSLAIUHGGFLXKG-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1noc(C)c1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527713529 1031171514 /nfs/dbraw/zinc/17/15/14/1031171514.db2.gz TWFIZWQPSGPUGK-UHFFFAOYSA-N 1 2 345.187 3.876 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccccc1F)CC1CC1 ZINC000666974912 1031173508 /nfs/dbraw/zinc/17/35/08/1031173508.db2.gz BXVKBSSMTKWJJH-UHFFFAOYSA-N 1 2 338.386 3.918 20 0 EHADLO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1cc(F)ccc1F ZINC000278511137 1031174647 /nfs/dbraw/zinc/17/46/47/1031174647.db2.gz OVOSJOKJDNPZKG-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000483529399 1031200509 /nfs/dbraw/zinc/20/05/09/1031200509.db2.gz PHSACTLSNWLFRV-KRWDZBQOSA-N 1 2 332.488 3.839 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000483529399 1031200530 /nfs/dbraw/zinc/20/05/30/1031200530.db2.gz PHSACTLSNWLFRV-KRWDZBQOSA-N 1 2 332.488 3.839 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]4CCC[C@H]43)cn2c1 ZINC000174367394 1031203264 /nfs/dbraw/zinc/20/32/64/1031203264.db2.gz SVNRCGVPXOTXHK-NVXWUHKLSA-N 1 2 343.496 3.667 20 0 EHADLO COc1ccc(Br)cc1C1([NH2+][C@H](C)c2ccncn2)CC1 ZINC000647315568 1031208967 /nfs/dbraw/zinc/20/89/67/1031208967.db2.gz QTOFQISHHXIQSM-LLVKDONJSA-N 1 2 348.244 3.588 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@@H]1CC12CCCC2 ZINC000583977505 1031275608 /nfs/dbraw/zinc/27/56/08/1031275608.db2.gz WVIBODSJNAMHFS-MRXNPFEDSA-N 1 2 344.846 3.658 20 0 EHADLO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527827321 1031293782 /nfs/dbraw/zinc/29/37/82/1031293782.db2.gz BHHVIRUIBYUDNG-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)no1 ZINC000151351628 1031376665 /nfs/dbraw/zinc/37/66/65/1031376665.db2.gz JHNSTTHAUGVHIF-HOTGVXAUSA-N 1 2 329.469 3.905 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)no1 ZINC000151351628 1031376678 /nfs/dbraw/zinc/37/66/78/1031376678.db2.gz JHNSTTHAUGVHIF-HOTGVXAUSA-N 1 2 329.469 3.905 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000483872779 1031383034 /nfs/dbraw/zinc/38/30/34/1031383034.db2.gz XLOAOAKAKOGSMJ-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000483872779 1031383049 /nfs/dbraw/zinc/38/30/49/1031383049.db2.gz XLOAOAKAKOGSMJ-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)cc1F ZINC000176132410 1031417031 /nfs/dbraw/zinc/41/70/31/1031417031.db2.gz LJYHJWZZMQRMQX-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCCCNc1cccc[nH+]1 ZINC000176428554 1031436439 /nfs/dbraw/zinc/43/64/39/1031436439.db2.gz SUMIOFBDTSAMLC-HNNXBMFYSA-N 1 2 347.846 3.511 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1sccc1Br ZINC000176444312 1031438928 /nfs/dbraw/zinc/43/89/28/1031438928.db2.gz KUOWUHATSFUIBM-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1sccc1Br ZINC000176444312 1031438937 /nfs/dbraw/zinc/43/89/37/1031438937.db2.gz KUOWUHATSFUIBM-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152946 1031444698 /nfs/dbraw/zinc/44/46/98/1031444698.db2.gz CLNFWEIPSQQIGV-WFASDCNBSA-N 1 2 329.893 3.545 20 0 EHADLO Cc1ccnc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1C1CC1 ZINC000640698314 1031463946 /nfs/dbraw/zinc/46/39/46/1031463946.db2.gz HBOQVRIUDPPBHZ-LBPRGKRZSA-N 1 2 338.333 3.596 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000151504078 1031482889 /nfs/dbraw/zinc/48/28/89/1031482889.db2.gz WXPABAAZZXNWRA-BXKDBHETSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000151504078 1031482890 /nfs/dbraw/zinc/48/28/90/1031482890.db2.gz WXPABAAZZXNWRA-BXKDBHETSA-N 1 2 338.167 3.509 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)cc1 ZINC000484356202 1031554891 /nfs/dbraw/zinc/55/48/91/1031554891.db2.gz MJZRDLUYWOLMIE-GOSISDBHSA-N 1 2 333.472 3.744 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)cc1 ZINC000484356202 1031554904 /nfs/dbraw/zinc/55/49/04/1031554904.db2.gz MJZRDLUYWOLMIE-GOSISDBHSA-N 1 2 333.472 3.744 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000527999703 1031561136 /nfs/dbraw/zinc/56/11/36/1031561136.db2.gz OQVLMHVINAQDTB-QRVBRYPASA-N 1 2 332.394 3.995 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000177743793 1031563825 /nfs/dbraw/zinc/56/38/25/1031563825.db2.gz HVADQZDYOCPFFE-QGZVFWFLSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000177743793 1031563837 /nfs/dbraw/zinc/56/38/37/1031563837.db2.gz HVADQZDYOCPFFE-QGZVFWFLSA-N 1 2 325.437 3.573 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477439751 1031565513 /nfs/dbraw/zinc/56/55/13/1031565513.db2.gz OUZBEWRGTDPDJX-IBGZPJMESA-N 1 2 347.418 3.938 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477439751 1031565540 /nfs/dbraw/zinc/56/55/40/1031565540.db2.gz OUZBEWRGTDPDJX-IBGZPJMESA-N 1 2 347.418 3.938 20 0 EHADLO CC(C)[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc(F)cc1F ZINC000343609499 1031628199 /nfs/dbraw/zinc/62/81/99/1031628199.db2.gz PHPOOBRLKFUPKF-QGZVFWFLSA-N 1 2 332.398 3.552 20 0 EHADLO CC(C)[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc(F)cc1F ZINC000343609499 1031628210 /nfs/dbraw/zinc/62/82/10/1031628210.db2.gz PHPOOBRLKFUPKF-QGZVFWFLSA-N 1 2 332.398 3.552 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000178193785 1031640233 /nfs/dbraw/zinc/64/02/33/1031640233.db2.gz MDLKUBFKKQDJGV-UHFFFAOYSA-N 1 2 342.374 3.582 20 0 EHADLO O=C(c1ccc(F)cc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278612261 1031641622 /nfs/dbraw/zinc/64/16/22/1031641622.db2.gz BBZIYLLRADPOOU-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)csc2C1 ZINC000347465179 1031655568 /nfs/dbraw/zinc/65/55/68/1031655568.db2.gz JVKNWELPUIKXLK-KGLIPLIRSA-N 1 2 343.496 3.626 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000667016887 1031664897 /nfs/dbraw/zinc/66/48/97/1031664897.db2.gz BLXOOPPVARSBGM-UONOGXRCSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000667016887 1031664922 /nfs/dbraw/zinc/66/49/22/1031664922.db2.gz BLXOOPPVARSBGM-UONOGXRCSA-N 1 2 347.484 3.785 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Cl)cc2C)c1C ZINC000178692673 1031715785 /nfs/dbraw/zinc/71/57/85/1031715785.db2.gz HLWYUVWYQBHFTQ-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1c(F)cccc1N1CCCC1)n1cc[nH+]c1 ZINC000635481412 1031748404 /nfs/dbraw/zinc/74/84/04/1031748404.db2.gz UOXHTUXKANZQRJ-QGZVFWFLSA-N 1 2 344.434 3.848 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158944241 1031750493 /nfs/dbraw/zinc/75/04/93/1031750493.db2.gz GBPGJDNNKONBCZ-WMLDXEAASA-N 1 2 344.842 3.594 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117578066 1031756865 /nfs/dbraw/zinc/75/68/65/1031756865.db2.gz BVTIJFNUOIDQLX-UHFFFAOYSA-N 1 2 331.828 3.859 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117616001 1031780062 /nfs/dbraw/zinc/78/00/62/1031780062.db2.gz ZIVOPLABAFXKNS-CYBMUJFWSA-N 1 2 339.370 3.511 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000117652801 1031787777 /nfs/dbraw/zinc/78/77/77/1031787777.db2.gz SKIBSJMUGBKCDO-OAHLLOKOSA-N 1 2 326.425 3.518 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000343653872 1031795267 /nfs/dbraw/zinc/79/52/67/1031795267.db2.gz BKRGSQRUIAPOIB-OWCLPIDISA-N 1 2 341.480 3.579 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000343657582 1031817222 /nfs/dbraw/zinc/81/72/22/1031817222.db2.gz HHTUWGXZLLZUFB-QRQLOZEOSA-N 1 2 335.451 3.518 20 0 EHADLO C[C@H]1CC(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000180136315 1031819956 /nfs/dbraw/zinc/81/99/56/1031819956.db2.gz PBDOQDGNBTVYGR-MCPYQZEQSA-N 1 2 325.456 3.620 20 0 EHADLO Clc1ccccc1[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000180048247 1031834221 /nfs/dbraw/zinc/83/42/21/1031834221.db2.gz XCEFQLRTWCQPAR-KRWDZBQOSA-N 1 2 327.815 3.561 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000448900078 1031856622 /nfs/dbraw/zinc/85/66/22/1031856622.db2.gz PVTIOGQMDCFSDJ-OXJNMPFZSA-N 1 2 330.447 3.777 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469301 1031859895 /nfs/dbraw/zinc/85/98/95/1031859895.db2.gz RITHDGBOOYPYTA-UHFFFAOYSA-N 1 2 345.402 3.719 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469301 1031859907 /nfs/dbraw/zinc/85/99/07/1031859907.db2.gz RITHDGBOOYPYTA-UHFFFAOYSA-N 1 2 345.402 3.719 20 0 EHADLO Cc1ccc(C)c(C2=NO[C@@H](c3nc(-c4c[nH+]c(N)cc4C)no3)C2)c1 ZINC000904265066 1031893480 /nfs/dbraw/zinc/89/34/80/1031893480.db2.gz FOUXAIHZOOUOMI-MRXNPFEDSA-N 1 2 349.394 3.505 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C[C@H](C)[S@@]1=O ZINC000484705745 1031901004 /nfs/dbraw/zinc/90/10/04/1031901004.db2.gz USBAEPVLKJAACM-RSQQPWMTSA-N 1 2 337.529 3.594 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2cccc(C(C)(C)C)c2)C[C@H](C)[S@@]1=O ZINC000484705745 1031901015 /nfs/dbraw/zinc/90/10/15/1031901015.db2.gz USBAEPVLKJAACM-RSQQPWMTSA-N 1 2 337.529 3.594 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1F ZINC000180715375 1031901783 /nfs/dbraw/zinc/90/17/83/1031901783.db2.gz UGJPVWSAVFOONN-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1F ZINC000180715375 1031901792 /nfs/dbraw/zinc/90/17/92/1031901792.db2.gz UGJPVWSAVFOONN-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928510 1031905186 /nfs/dbraw/zinc/90/51/86/1031905186.db2.gz MSDFRRRYUGKUKL-SQNIBIBYSA-N 1 2 327.472 3.514 20 0 EHADLO Cc1cc(C(=O)CCc2nc(-c3ccc(N)[nH+]c3C)no2)c(C)s1 ZINC000904258552 1031905461 /nfs/dbraw/zinc/90/54/61/1031905461.db2.gz NZMSJSRNOQGWEF-UHFFFAOYSA-N 1 2 342.424 3.516 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)CCc2cccc(F)c2)n1 ZINC000904261261 1031906146 /nfs/dbraw/zinc/90/61/46/1031906146.db2.gz ZNXMTBRBLFMGMB-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000448910296 1031913692 /nfs/dbraw/zinc/91/36/92/1031913692.db2.gz NSZWRWXJYVLEKT-MDZRGWNJSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000924644064 1031923879 /nfs/dbraw/zinc/92/38/79/1031923879.db2.gz RKFFEGFNARKHIH-RYUDHWBXSA-N 1 2 344.272 3.508 20 0 EHADLO Clc1ncc(C[NH+]2CCC(N3CCc4ccccc43)CC2)s1 ZINC000282083897 1031966139 /nfs/dbraw/zinc/96/61/39/1031966139.db2.gz OFAYXICLCJOSJB-UHFFFAOYSA-N 1 2 333.888 3.824 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3cccc(F)c3)n2)cc[nH+]1 ZINC000181317836 1031970695 /nfs/dbraw/zinc/97/06/95/1031970695.db2.gz PRQGQDXGOIHNMC-UHFFFAOYSA-N 1 2 327.384 3.829 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347478116 1031976615 /nfs/dbraw/zinc/97/66/15/1031976615.db2.gz FBCFEAZHSUAZCT-SJLPKXTDSA-N 1 2 325.456 3.710 20 0 EHADLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000537852187 1031979331 /nfs/dbraw/zinc/97/93/31/1031979331.db2.gz WRKBFHRSMWHVKA-CYBMUJFWSA-N 1 2 339.361 3.885 20 0 EHADLO OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccncc1F ZINC000449015383 1032025490 /nfs/dbraw/zinc/02/54/90/1032025490.db2.gz BRFCSKWXMNKSMS-UHFFFAOYSA-N 1 2 343.229 3.912 20 0 EHADLO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccncc1F ZINC000449015383 1032025501 /nfs/dbraw/zinc/02/55/01/1032025501.db2.gz BRFCSKWXMNKSMS-UHFFFAOYSA-N 1 2 343.229 3.912 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cncc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000181838986 1032037633 /nfs/dbraw/zinc/03/76/33/1032037633.db2.gz YHMAUMNSSPBFOF-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cncc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000181838968 1032037698 /nfs/dbraw/zinc/03/76/98/1032037698.db2.gz YHMAUMNSSPBFOF-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO COc1nccnc1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000449008076 1032049549 /nfs/dbraw/zinc/04/95/49/1032049549.db2.gz CPCOZWQMAGLBFC-UHFFFAOYSA-N 1 2 337.345 3.669 20 0 EHADLO COc1nccnc1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000449008076 1032049557 /nfs/dbraw/zinc/04/95/57/1032049557.db2.gz CPCOZWQMAGLBFC-UHFFFAOYSA-N 1 2 337.345 3.669 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000584273826 1032049433 /nfs/dbraw/zinc/04/94/33/1032049433.db2.gz PQCVOCZGGSGCLD-VQIMIIECSA-N 1 2 339.439 3.634 20 0 EHADLO COc1cc2ccccc2cc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000449010665 1032055212 /nfs/dbraw/zinc/05/52/12/1032055212.db2.gz MLQRLIVKHSVCCC-UHFFFAOYSA-N 1 2 340.467 3.539 20 0 EHADLO O=C(NCC1CC=CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000529033601 1033297530 /nfs/dbraw/zinc/29/75/30/1033297530.db2.gz ABQCPCJKCQNVRP-UHFFFAOYSA-N 1 2 334.423 3.690 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000685415010 1033304350 /nfs/dbraw/zinc/30/43/50/1033304350.db2.gz COLQXSVYEFZLMP-FQEVSTJZSA-N 1 2 348.450 3.921 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000685415010 1033304363 /nfs/dbraw/zinc/30/43/63/1033304363.db2.gz COLQXSVYEFZLMP-FQEVSTJZSA-N 1 2 348.450 3.921 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000529073385 1033342745 /nfs/dbraw/zinc/34/27/45/1033342745.db2.gz DWYJKBLPKUNMKT-HZPDHXFCSA-N 1 2 331.847 3.551 20 0 EHADLO COc1cccc(-c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)c1 ZINC000607864625 1033370067 /nfs/dbraw/zinc/37/00/67/1033370067.db2.gz IPSVBQLHHDQIFC-UHFFFAOYSA-N 1 2 349.434 3.655 20 0 EHADLO C[C@H]1C[C@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccsc2S1 ZINC000305784946 1033394870 /nfs/dbraw/zinc/39/48/70/1033394870.db2.gz BKHBCKCCZQBMGV-FZMZJTMJSA-N 1 2 335.498 3.609 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000898281964 1033426645 /nfs/dbraw/zinc/42/66/45/1033426645.db2.gz TULIHEVYTOXLJL-UHFFFAOYSA-N 1 2 345.342 3.968 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000173615499 1033435616 /nfs/dbraw/zinc/43/56/16/1033435616.db2.gz CKPGDFAICTUQFJ-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000173615499 1033435620 /nfs/dbraw/zinc/43/56/20/1033435620.db2.gz CKPGDFAICTUQFJ-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C/C(=C/c1ccccc1)CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000150937599 1033514201 /nfs/dbraw/zinc/51/42/01/1033514201.db2.gz LLDVFFRBSQVWRM-LGMDPLHJSA-N 1 2 337.467 3.806 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000666894234 1033537186 /nfs/dbraw/zinc/53/71/86/1033537186.db2.gz IRKJKASTHLZYFQ-GDBMZVCRSA-N 1 2 336.439 3.760 20 0 EHADLO CCOC(=O)C[N@H+](CCCF)[C@@H](C)c1cccc(Br)c1 ZINC000537524947 1033553990 /nfs/dbraw/zinc/55/39/90/1033553990.db2.gz YTJBLXJXDVEVRU-LBPRGKRZSA-N 1 2 346.240 3.735 20 0 EHADLO CCOC(=O)C[N@@H+](CCCF)[C@@H](C)c1cccc(Br)c1 ZINC000537524947 1033554004 /nfs/dbraw/zinc/55/40/04/1033554004.db2.gz YTJBLXJXDVEVRU-LBPRGKRZSA-N 1 2 346.240 3.735 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000106240903 1033560439 /nfs/dbraw/zinc/56/04/39/1033560439.db2.gz KUDSWVWHHCVPSX-YCPHGPKFSA-N 1 2 331.485 3.840 20 0 EHADLO CCC[N@H+](Cc1oc(C)nc1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000685580090 1033585014 /nfs/dbraw/zinc/58/50/14/1033585014.db2.gz GXJRVSLCMQMQDS-OAHLLOKOSA-N 1 2 329.444 3.839 20 0 EHADLO CCC[N@@H+](Cc1oc(C)nc1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000685580090 1033585025 /nfs/dbraw/zinc/58/50/25/1033585025.db2.gz GXJRVSLCMQMQDS-OAHLLOKOSA-N 1 2 329.444 3.839 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccc(Cl)cc1 ZINC000608313780 1033613729 /nfs/dbraw/zinc/61/37/29/1033613729.db2.gz MYOYDEZDGBIXCJ-LBPRGKRZSA-N 1 2 344.802 3.577 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)s1 ZINC000598975521 1033623870 /nfs/dbraw/zinc/62/38/70/1033623870.db2.gz JWOTVBAKHKTCAI-VIFPVBQESA-N 1 2 339.486 3.714 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccn2cc[nH+]c2c1 ZINC000685651354 1033681372 /nfs/dbraw/zinc/68/13/72/1033681372.db2.gz SUHCGPSHYKRTIV-AAEUAGOBSA-N 1 2 340.349 3.825 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174037195 1033695110 /nfs/dbraw/zinc/69/51/10/1033695110.db2.gz MYGYJOLPHCOEOP-FQEVSTJZSA-N 1 2 343.492 3.611 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174037195 1033695124 /nfs/dbraw/zinc/69/51/24/1033695124.db2.gz MYGYJOLPHCOEOP-FQEVSTJZSA-N 1 2 343.492 3.611 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000608497980 1033729158 /nfs/dbraw/zinc/72/91/58/1033729158.db2.gz KVGIBPNTJDFRMD-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000608497980 1033729171 /nfs/dbraw/zinc/72/91/71/1033729171.db2.gz KVGIBPNTJDFRMD-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO O=C(Nc1ccc2occc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000529282643 1033733057 /nfs/dbraw/zinc/73/30/57/1033733057.db2.gz KQKUFSVXAUTUFF-UHFFFAOYSA-N 1 2 336.395 3.618 20 0 EHADLO O=C(Nc1ccc2occc2c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000529285202 1033734481 /nfs/dbraw/zinc/73/44/81/1033734481.db2.gz PUJXXXRIIWEEAV-UHFFFAOYSA-N 1 2 341.436 3.844 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](OC)C2CCCC2)n1 ZINC000595349887 1033736743 /nfs/dbraw/zinc/73/67/43/1033736743.db2.gz FGUMSWPWKNUPBO-JSGCOSHPSA-N 1 2 327.494 3.521 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](OC)C2CCCC2)n1 ZINC000595349887 1033736755 /nfs/dbraw/zinc/73/67/55/1033736755.db2.gz FGUMSWPWKNUPBO-JSGCOSHPSA-N 1 2 327.494 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000132104760 1033747448 /nfs/dbraw/zinc/74/74/48/1033747448.db2.gz GMHVPJUYTGEVHK-JTQLQIEISA-N 1 2 343.818 3.608 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000061859169 1033775078 /nfs/dbraw/zinc/77/50/78/1033775078.db2.gz RDUJUIFFDVMWRT-KRWDZBQOSA-N 1 2 344.503 3.792 20 0 EHADLO CCc1ccc([C@H](C[NH2+]Cc2nnc(C(C)C)s2)N(C)C)cc1 ZINC000892420971 1033827886 /nfs/dbraw/zinc/82/78/86/1033827886.db2.gz YIYKTWXTMLIHLQ-INIZCTEOSA-N 1 2 332.517 3.616 20 0 EHADLO C[C@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)c1ccc(F)cc1F ZINC000550662140 1033831239 /nfs/dbraw/zinc/83/12/39/1033831239.db2.gz RQFWVOZKLWMPAU-MEBBXXQBSA-N 1 2 334.395 3.627 20 0 EHADLO C[N@H+](Cc1noc2c1CCCC2)Cc1cccc(Br)c1 ZINC000595557012 1033859378 /nfs/dbraw/zinc/85/93/78/1033859378.db2.gz YQAJMUZQDLSAGQ-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO C[N@@H+](Cc1noc2c1CCCC2)Cc1cccc(Br)c1 ZINC000595557012 1033859394 /nfs/dbraw/zinc/85/93/94/1033859394.db2.gz YQAJMUZQDLSAGQ-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC(C)(C)CC1)c1ccccc1 ZINC000608726588 1033865668 /nfs/dbraw/zinc/86/56/68/1033865668.db2.gz FCBCRSYSIBIGAX-KRWDZBQOSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C(C)(C)C)C[C@@H]3C)[nH+]c12 ZINC000575087083 1033871984 /nfs/dbraw/zinc/87/19/84/1033871984.db2.gz LQBAPRIWIXNJCO-HOTGVXAUSA-N 1 2 327.472 3.858 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)cs1 ZINC000120511230 1033909136 /nfs/dbraw/zinc/90/91/36/1033909136.db2.gz PQGOJYVNWZVRIU-VHDGCEQUSA-N 1 2 326.506 3.876 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)cs1 ZINC000120511230 1033909147 /nfs/dbraw/zinc/90/91/47/1033909147.db2.gz PQGOJYVNWZVRIU-VHDGCEQUSA-N 1 2 326.506 3.876 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)c(Br)c1 ZINC000658095883 1033926936 /nfs/dbraw/zinc/92/69/36/1033926936.db2.gz ANVAYNBJRDHHCU-MWODSPESSA-N 1 2 339.212 3.536 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](c2ccccc2F)C(C)C)n1 ZINC000595686751 1033947786 /nfs/dbraw/zinc/94/77/86/1033947786.db2.gz BESJPTAERZBYLC-INIZCTEOSA-N 1 2 336.432 3.946 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(Br)c(F)c1 ZINC000658103517 1033952161 /nfs/dbraw/zinc/95/21/61/1033952161.db2.gz VWUYOIDCBXBMHV-MWODSPESSA-N 1 2 339.212 3.536 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000450239299 1033961762 /nfs/dbraw/zinc/96/17/62/1033961762.db2.gz AAFMBZDSXKNZJT-INIZCTEOSA-N 1 2 341.455 3.617 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595761398 1033968046 /nfs/dbraw/zinc/96/80/46/1033968046.db2.gz VOUIHYGVJHBUFM-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595761398 1033968066 /nfs/dbraw/zinc/96/80/66/1033968066.db2.gz VOUIHYGVJHBUFM-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]CCCSc1ccccc1Cl ZINC000595771161 1033972159 /nfs/dbraw/zinc/97/21/59/1033972159.db2.gz XEFAEJARFRTZCQ-HNNXBMFYSA-N 1 2 333.856 3.703 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C ZINC000212326094 1033986236 /nfs/dbraw/zinc/98/62/36/1033986236.db2.gz JLONIXKUCBVCBR-XFFZJAGNSA-N 1 2 334.463 3.775 20 0 EHADLO CCCOc1ccc(F)cc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001212195692 1033987496 /nfs/dbraw/zinc/98/74/96/1033987496.db2.gz VNJDQKUMFATOFU-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO O=C(CCc1cccc(Br)c1)Nc1ccc2[nH+]ccn2c1 ZINC000603882066 1034007600 /nfs/dbraw/zinc/00/76/00/1034007600.db2.gz NEGBNIQPLFNSFW-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO Fc1cc2[nH+]ccc(NC[C@@H]3CCCOC3)c2cc1Br ZINC000450267909 1034015956 /nfs/dbraw/zinc/01/59/56/1034015956.db2.gz CATMIYCQMFVXPP-JTQLQIEISA-N 1 2 339.208 3.975 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CCSC2CCCCC2)CCOCC1 ZINC000595897150 1034023131 /nfs/dbraw/zinc/02/31/31/1034023131.db2.gz QLGPXPQTZZJNOY-UHFFFAOYSA-N 1 2 343.533 3.533 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599589404 1034028754 /nfs/dbraw/zinc/02/87/54/1034028754.db2.gz SIVUCEIZMHNBOZ-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599589404 1034028772 /nfs/dbraw/zinc/02/87/72/1034028772.db2.gz SIVUCEIZMHNBOZ-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO CCCc1nc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC000599594122 1034032353 /nfs/dbraw/zinc/03/23/53/1034032353.db2.gz FGTCJDDHKDKIQW-DZGCQCFKSA-N 1 2 338.517 3.895 20 0 EHADLO CCCc1nc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC000599594122 1034032382 /nfs/dbraw/zinc/03/23/82/1034032382.db2.gz FGTCJDDHKDKIQW-DZGCQCFKSA-N 1 2 338.517 3.895 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599594445 1034035013 /nfs/dbraw/zinc/03/50/13/1034035013.db2.gz HCCYVPYZZGKWGU-HIFRSBDPSA-N 1 2 346.427 3.734 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599594445 1034035016 /nfs/dbraw/zinc/03/50/16/1034035016.db2.gz HCCYVPYZZGKWGU-HIFRSBDPSA-N 1 2 346.427 3.734 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)n2)c1 ZINC000450279965 1034041429 /nfs/dbraw/zinc/04/14/29/1034041429.db2.gz VWWDHCVEXZAMPD-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)n2)c1 ZINC000450279965 1034041441 /nfs/dbraw/zinc/04/14/41/1034041441.db2.gz VWWDHCVEXZAMPD-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C=C3CCCCC3)CC2)cc1 ZINC000065772476 1034064387 /nfs/dbraw/zinc/06/43/87/1034064387.db2.gz QDHYLBSPXFVRJD-UHFFFAOYSA-N 1 2 342.483 3.620 20 0 EHADLO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)c4csnn4)CC3)c2c1 ZINC000450292622 1034066193 /nfs/dbraw/zinc/06/61/93/1034066193.db2.gz ZZAOQBXSQJFJAS-GFCCVEGCSA-N 1 2 342.468 3.969 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119110761 1034086922 /nfs/dbraw/zinc/08/69/22/1034086922.db2.gz XDMGIIBEBGZFRJ-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119110761 1034086908 /nfs/dbraw/zinc/08/69/08/1034086908.db2.gz XDMGIIBEBGZFRJ-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120760990 1034097929 /nfs/dbraw/zinc/09/79/29/1034097929.db2.gz AGUJNJBZCUQOOT-UXHICEINSA-N 1 2 338.451 3.576 20 0 EHADLO CCC[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120781556 1034104751 /nfs/dbraw/zinc/10/47/51/1034104751.db2.gz RBWMWWDSOKUVDY-IEBWSBKVSA-N 1 2 339.483 3.785 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2n1 ZINC000603976271 1034113249 /nfs/dbraw/zinc/11/32/49/1034113249.db2.gz RKYPTVRETXUHDL-MRXNPFEDSA-N 1 2 335.411 3.609 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000119228347 1034115765 /nfs/dbraw/zinc/11/57/65/1034115765.db2.gz VULADTKOJRLOIC-ZDUSSCGKSA-N 1 2 332.831 3.775 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000119228347 1034115773 /nfs/dbraw/zinc/11/57/73/1034115773.db2.gz VULADTKOJRLOIC-ZDUSSCGKSA-N 1 2 332.831 3.775 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)n1cc[nH+]c1 ZINC000635721557 1034133842 /nfs/dbraw/zinc/13/38/42/1034133842.db2.gz OAYBMLXGCIJPPQ-HNNXBMFYSA-N 1 2 347.369 3.854 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000596292618 1034145702 /nfs/dbraw/zinc/14/57/02/1034145702.db2.gz LRAWGTKSQONYMZ-OAHLLOKOSA-N 1 2 344.386 3.651 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1Cl ZINC000101730312 1034146003 /nfs/dbraw/zinc/14/60/03/1034146003.db2.gz JKYYFZDWNADIDG-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1Cl ZINC000101730312 1034146008 /nfs/dbraw/zinc/14/60/08/1034146008.db2.gz JKYYFZDWNADIDG-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2ccn(CC(F)(F)F)n2)cc1C ZINC000450337532 1034167507 /nfs/dbraw/zinc/16/75/07/1034167507.db2.gz GPVROEBBVPIDLW-UHFFFAOYSA-N 1 2 341.377 3.703 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2ccn(CC(F)(F)F)n2)cc1C ZINC000450337532 1034167516 /nfs/dbraw/zinc/16/75/16/1034167516.db2.gz GPVROEBBVPIDLW-UHFFFAOYSA-N 1 2 341.377 3.703 20 0 EHADLO CCSc1ccc([C@@H](C)NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000119540760 1034179981 /nfs/dbraw/zinc/17/99/81/1034179981.db2.gz DMOSRRWZBZLIAM-OAHLLOKOSA-N 1 2 346.500 3.788 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)c1nccn1C ZINC000658335876 1034208734 /nfs/dbraw/zinc/20/87/34/1034208734.db2.gz IPIMDIZNWDMAQM-NXEZZACHSA-N 1 2 326.213 3.734 20 0 EHADLO Clc1cnn([C@@H]2CC[N@H+](Cc3ccsc3Br)C2)c1 ZINC000529574721 1034202867 /nfs/dbraw/zinc/20/28/67/1034202867.db2.gz QXVNQMUQFRWUND-LLVKDONJSA-N 1 2 346.681 3.808 20 0 EHADLO Clc1cnn([C@@H]2CC[N@@H+](Cc3ccsc3Br)C2)c1 ZINC000529574721 1034202875 /nfs/dbraw/zinc/20/28/75/1034202875.db2.gz QXVNQMUQFRWUND-LLVKDONJSA-N 1 2 346.681 3.808 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCCO1 ZINC000529581901 1034215121 /nfs/dbraw/zinc/21/51/21/1034215121.db2.gz HQOQZIMRABYWMM-CQSZACIVSA-N 1 2 347.684 3.744 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCCO1 ZINC000529581901 1034215131 /nfs/dbraw/zinc/21/51/31/1034215131.db2.gz HQOQZIMRABYWMM-CQSZACIVSA-N 1 2 347.684 3.744 20 0 EHADLO OCCC[N@H+](Cc1ccsc1C(F)(F)F)Cc1ccccn1 ZINC000529568700 1034224143 /nfs/dbraw/zinc/22/41/43/1034224143.db2.gz WSUJPEIXCJBAEC-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO OCCC[N@@H+](Cc1ccsc1C(F)(F)F)Cc1ccccn1 ZINC000529568700 1034224165 /nfs/dbraw/zinc/22/41/65/1034224165.db2.gz WSUJPEIXCJBAEC-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO CC1(C)CCC[C@@H](CC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000119686946 1034227169 /nfs/dbraw/zinc/22/71/69/1034227169.db2.gz AHVUBOQVCSVIHE-INIZCTEOSA-N 1 2 329.488 3.773 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1C ZINC000658353621 1034236335 /nfs/dbraw/zinc/23/63/35/1034236335.db2.gz OCYAPRXFCNDEEQ-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000658362768 1034243605 /nfs/dbraw/zinc/24/36/05/1034243605.db2.gz TUKFDEWKGXGEBW-OPQQBVKSSA-N 1 2 330.375 3.935 20 0 EHADLO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000658362765 1034244325 /nfs/dbraw/zinc/24/43/25/1034244325.db2.gz TUKFDEWKGXGEBW-CWSCBRNRSA-N 1 2 330.375 3.935 20 0 EHADLO FC(F)(F)Cn1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000450405281 1034281141 /nfs/dbraw/zinc/28/11/41/1034281141.db2.gz DUSVVAFIZPEKJQ-OAHLLOKOSA-N 1 2 341.402 3.736 20 0 EHADLO FC(F)(F)Cn1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000450405281 1034281153 /nfs/dbraw/zinc/28/11/53/1034281153.db2.gz DUSVVAFIZPEKJQ-OAHLLOKOSA-N 1 2 341.402 3.736 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)cs1 ZINC000450444006 1034310628 /nfs/dbraw/zinc/31/06/28/1034310628.db2.gz XSIBGYLLPKYUSD-HDMKZQKVSA-N 1 2 348.512 3.837 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)cs1 ZINC000450444006 1034310639 /nfs/dbraw/zinc/31/06/39/1034310639.db2.gz XSIBGYLLPKYUSD-HDMKZQKVSA-N 1 2 348.512 3.837 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cn3cccnc3=S)CC2)cc1 ZINC000179450039 1034314716 /nfs/dbraw/zinc/31/47/16/1034314716.db2.gz GOYZZKLDNDFXQF-UHFFFAOYSA-N 1 2 327.453 3.758 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cn3cccnc3=S)CC2)cc1 ZINC000179450039 1034314729 /nfs/dbraw/zinc/31/47/29/1034314729.db2.gz GOYZZKLDNDFXQF-UHFFFAOYSA-N 1 2 327.453 3.758 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000450432557 1034321546 /nfs/dbraw/zinc/32/15/46/1034321546.db2.gz HKPKVESFQFTLQA-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000450432557 1034321560 /nfs/dbraw/zinc/32/15/60/1034321560.db2.gz HKPKVESFQFTLQA-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614768 1034324274 /nfs/dbraw/zinc/32/42/74/1034324274.db2.gz XJJNCFWJUVHYJD-VNQPRFMTSA-N 1 2 347.484 3.846 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614768 1034324283 /nfs/dbraw/zinc/32/42/83/1034324283.db2.gz XJJNCFWJUVHYJD-VNQPRFMTSA-N 1 2 347.484 3.846 20 0 EHADLO Cn1ccnc1C([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)c1nccn1C ZINC000529639905 1034332565 /nfs/dbraw/zinc/33/25/65/1034332565.db2.gz AAHULWATWRYCEI-JKSUJKDBSA-N 1 2 343.519 3.828 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685710823 1034338014 /nfs/dbraw/zinc/33/80/14/1034338014.db2.gz CKDFWXZRUOKXKY-RBUKOAKNSA-N 1 2 339.483 3.805 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1Cl ZINC000132544338 1034345611 /nfs/dbraw/zinc/34/56/11/1034345611.db2.gz GFEDVOGOYVPBEG-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000171386780 1034351395 /nfs/dbraw/zinc/35/13/95/1034351395.db2.gz KSNXJHVJYZEDBA-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cs1 ZINC000604416217 1034370779 /nfs/dbraw/zinc/37/07/79/1034370779.db2.gz QEISKKZOZJUNBK-QGZVFWFLSA-N 1 2 329.469 3.601 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H]1C ZINC000635887120 1034398060 /nfs/dbraw/zinc/39/80/60/1034398060.db2.gz UIOJUWQSMIPOIA-SYQHCUMBSA-N 1 2 331.382 3.565 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1cnc(C2CCCCC2)s1 ZINC000534347644 1034422422 /nfs/dbraw/zinc/42/24/22/1034422422.db2.gz GYTQSTRINZQSJB-UHFFFAOYSA-N 1 2 337.533 3.929 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1cnc(C2CCCCC2)s1 ZINC000534347644 1034422424 /nfs/dbraw/zinc/42/24/24/1034422424.db2.gz GYTQSTRINZQSJB-UHFFFAOYSA-N 1 2 337.533 3.929 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](Cc2ccccc2)OC)n1 ZINC000450502308 1034434636 /nfs/dbraw/zinc/43/46/36/1034434636.db2.gz SDEPSLSNSFQXFH-HOCLYGCPSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](Cc2ccccc2)OC)n1 ZINC000450502308 1034434640 /nfs/dbraw/zinc/43/46/40/1034434640.db2.gz SDEPSLSNSFQXFH-HOCLYGCPSA-N 1 2 349.500 3.573 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000604670772 1034449430 /nfs/dbraw/zinc/44/94/30/1034449430.db2.gz NZQXQZYMWCDDCH-GOSISDBHSA-N 1 2 340.471 3.840 20 0 EHADLO COC(=O)c1csc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000450518972 1034468015 /nfs/dbraw/zinc/46/80/15/1034468015.db2.gz KXXKMSORVFAZFI-MRXNPFEDSA-N 1 2 328.437 3.582 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000450518972 1034468024 /nfs/dbraw/zinc/46/80/24/1034468024.db2.gz KXXKMSORVFAZFI-MRXNPFEDSA-N 1 2 328.437 3.582 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540969 1034484502 /nfs/dbraw/zinc/48/45/02/1034484502.db2.gz VGICFZFQRVJCCG-VSOYFRJCSA-N 1 2 341.842 3.533 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121177812 1034489354 /nfs/dbraw/zinc/48/93/54/1034489354.db2.gz BGTSRSORNLTDIY-LJQANCHMSA-N 1 2 340.423 3.554 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450540095 1034490860 /nfs/dbraw/zinc/49/08/60/1034490860.db2.gz MMIKAAFYDLADPY-HNNXBMFYSA-N 1 2 345.409 3.881 20 0 EHADLO Cc1cc(N[C@H]2C[C@@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604757353 1034500557 /nfs/dbraw/zinc/50/05/57/1034500557.db2.gz BQPAITXMOZYDSG-CABCVRRESA-N 1 2 344.256 3.815 20 0 EHADLO Cc1cc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000604758760 1034500626 /nfs/dbraw/zinc/50/06/26/1034500626.db2.gz UNUAGHDAQTXKAN-AWEZNQCLSA-N 1 2 342.874 3.676 20 0 EHADLO OC[C@@]1(F)CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450535282 1034511342 /nfs/dbraw/zinc/51/13/42/1034511342.db2.gz LVHHHKSFBQCDFI-OAHLLOKOSA-N 1 2 328.309 3.554 20 0 EHADLO COc1cccc2c(N3CCC4(CCC(O)CC4)CC3)cc[nH+]c12 ZINC000450579851 1034541964 /nfs/dbraw/zinc/54/19/64/1034541964.db2.gz ZQJOQSWJYVOIGH-UHFFFAOYSA-N 1 2 326.440 3.765 20 0 EHADLO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603711 1034556761 /nfs/dbraw/zinc/55/67/61/1034556761.db2.gz HYBJQTDDBWPTBH-ZWNOBZJWSA-N 1 2 349.830 3.536 20 0 EHADLO C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000450603711 1034556768 /nfs/dbraw/zinc/55/67/68/1034556768.db2.gz HYBJQTDDBWPTBH-ZWNOBZJWSA-N 1 2 349.830 3.536 20 0 EHADLO C#CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H]1CCc2ccccc21 ZINC000060469059 1034574166 /nfs/dbraw/zinc/57/41/66/1034574166.db2.gz QZFCNFJIVZJPMP-IBGZPJMESA-N 1 2 348.475 3.666 20 0 EHADLO C#CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H]1CCc2ccccc21 ZINC000060469059 1034574174 /nfs/dbraw/zinc/57/41/74/1034574174.db2.gz QZFCNFJIVZJPMP-IBGZPJMESA-N 1 2 348.475 3.666 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1cccc(Cl)c1)C[C@@H]2O ZINC000060467673 1034574310 /nfs/dbraw/zinc/57/43/10/1034574310.db2.gz WIOQAEFVOIAHKS-WBMJQRKESA-N 1 2 347.842 3.967 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1cccc(Cl)c1)C[C@@H]2O ZINC000060467673 1034574322 /nfs/dbraw/zinc/57/43/22/1034574322.db2.gz WIOQAEFVOIAHKS-WBMJQRKESA-N 1 2 347.842 3.967 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000604997190 1034583771 /nfs/dbraw/zinc/58/37/71/1034583771.db2.gz XUNDRDVUIOQHJK-UHFFFAOYSA-N 1 2 342.870 3.860 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000450631038 1034586610 /nfs/dbraw/zinc/58/66/10/1034586610.db2.gz ZCAMHQXHPODZTL-NRFANRHFSA-N 1 2 332.451 3.858 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000450631038 1034586622 /nfs/dbraw/zinc/58/66/22/1034586622.db2.gz ZCAMHQXHPODZTL-NRFANRHFSA-N 1 2 332.451 3.858 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nccc(OC)n2)cc1OC ZINC000450678461 1034675039 /nfs/dbraw/zinc/67/50/39/1034675039.db2.gz TYFFTKGPJPYSTR-CQSZACIVSA-N 1 2 345.443 3.524 20 0 EHADLO Cc1cc([C@H](NC(=O)NCCCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000534611099 1034728247 /nfs/dbraw/zinc/72/82/47/1034728247.db2.gz AGDAOAVWGUPMPZ-GOSISDBHSA-N 1 2 344.434 3.561 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000456787175 1034731609 /nfs/dbraw/zinc/73/16/09/1034731609.db2.gz XSZDYCCWDCRJAM-GBESFXJTSA-N 1 2 337.467 3.536 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299613290 1034752851 /nfs/dbraw/zinc/75/28/51/1034752851.db2.gz ZCXUYQJVIVUVSP-UHFFFAOYSA-N 1 2 348.450 3.790 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450760923 1034782351 /nfs/dbraw/zinc/78/23/51/1034782351.db2.gz OANODKWIQDTEEP-CQSZACIVSA-N 1 2 343.349 3.522 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450760923 1034782357 /nfs/dbraw/zinc/78/23/57/1034782357.db2.gz OANODKWIQDTEEP-CQSZACIVSA-N 1 2 343.349 3.522 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c[nH+]1 ZINC000456840285 1034785129 /nfs/dbraw/zinc/78/51/29/1034785129.db2.gz NRCQINRIMHQJAM-UHFFFAOYSA-N 1 2 340.423 3.584 20 0 EHADLO Cc1cc(C)c(CNC(=O)CSCc2ccc(Cl)cc2)c[nH+]1 ZINC000456859678 1034792089 /nfs/dbraw/zinc/79/20/89/1034792089.db2.gz MWDHXSDPQXVGEX-UHFFFAOYSA-N 1 2 334.872 3.901 20 0 EHADLO CO[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C[C@@H]1C ZINC000450779284 1034805682 /nfs/dbraw/zinc/80/56/82/1034805682.db2.gz VXYFNWVGOMNRSF-NHYWBVRUSA-N 1 2 335.245 3.859 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccn(C)c2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000612345498 1034810352 /nfs/dbraw/zinc/81/03/52/1034810352.db2.gz GHISPMHNGPKLDZ-VQIMIIECSA-N 1 2 348.450 3.612 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000375891572 1034842703 /nfs/dbraw/zinc/84/27/03/1034842703.db2.gz WGWIGZNTDQUPPV-QPUJVOFHSA-N 1 2 339.363 3.597 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc(Cl)c1F ZINC000450903324 1034925476 /nfs/dbraw/zinc/92/54/76/1034925476.db2.gz KSSGFIZWLRBLAF-MRXNPFEDSA-N 1 2 335.806 3.844 20 0 EHADLO CN(c1nc(C[NH+]2CCC(F)(c3ccccn3)CC2)cs1)C1CC1 ZINC000450927093 1034951686 /nfs/dbraw/zinc/95/16/86/1034951686.db2.gz ANADPVDTTYIKHE-UHFFFAOYSA-N 1 2 346.475 3.598 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000375940854 1034976540 /nfs/dbraw/zinc/97/65/40/1034976540.db2.gz IMKVIOMORHPNHX-LBPRGKRZSA-N 1 2 343.427 3.794 20 0 EHADLO Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)c(N(C)C)[nH+]1 ZINC000152621019 1034985924 /nfs/dbraw/zinc/98/59/24/1034985924.db2.gz MOBSUUKMPGOPGS-UHFFFAOYSA-N 1 2 325.746 3.640 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000413771571 1034993579 /nfs/dbraw/zinc/99/35/79/1034993579.db2.gz AAKUUVHEAQHTOI-MJGOQNOKSA-N 1 2 329.488 3.551 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC000450988114 1035001724 /nfs/dbraw/zinc/00/17/24/1035001724.db2.gz AGFZOMRQOXUJMK-UHFFFAOYSA-N 1 2 338.455 3.756 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451021323 1035017925 /nfs/dbraw/zinc/01/79/25/1035017925.db2.gz PFBULZPIZFFXOM-HNNXBMFYSA-N 1 2 347.846 3.697 20 0 EHADLO COC(=O)CC1(C[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451021323 1035017931 /nfs/dbraw/zinc/01/79/31/1035017931.db2.gz PFBULZPIZFFXOM-HNNXBMFYSA-N 1 2 347.846 3.697 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612762643 1035203202 /nfs/dbraw/zinc/20/32/02/1035203202.db2.gz FEVZBAHTHJILOE-OAHLLOKOSA-N 1 2 330.457 3.615 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc(C)c(F)cc2F)[nH+]1 ZINC000177565884 1035235674 /nfs/dbraw/zinc/23/56/74/1035235674.db2.gz WIDAIVQGRNLFET-UHFFFAOYSA-N 1 2 349.377 3.783 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(C)c(F)cc3Cl)[nH+]c12 ZINC000133447361 1035259967 /nfs/dbraw/zinc/25/99/67/1035259967.db2.gz RIGORTZYGFQJLR-UHFFFAOYSA-N 1 2 345.805 3.716 20 0 EHADLO CC(C)(C)C(C)(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431744080 1035407264 /nfs/dbraw/zinc/40/72/64/1035407264.db2.gz YWCSVTBORDNGIL-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613138785 1035417614 /nfs/dbraw/zinc/41/76/14/1035417614.db2.gz KZLHOMBXMZPEJT-MSOLQXFVSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613138785 1035417617 /nfs/dbraw/zinc/41/76/17/1035417617.db2.gz KZLHOMBXMZPEJT-MSOLQXFVSA-N 1 2 348.437 3.797 20 0 EHADLO CCSCc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000125506166 1035424414 /nfs/dbraw/zinc/42/44/14/1035424414.db2.gz DMAQQOWVZWQZPM-UHFFFAOYSA-N 1 2 332.473 3.690 20 0 EHADLO COc1cc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1C ZINC000923785437 1035475649 /nfs/dbraw/zinc/47/56/49/1035475649.db2.gz KMMJABCGSRDSGW-MRXNPFEDSA-N 1 2 340.427 3.809 20 0 EHADLO c1c2ccccc2n2c1C[N@H+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000463424950 1035498705 /nfs/dbraw/zinc/49/87/05/1035498705.db2.gz FCLVWNCPAGAPDN-UHFFFAOYSA-N 1 2 344.418 3.750 20 0 EHADLO c1c2ccccc2n2c1C[N@@H+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000463424950 1035498715 /nfs/dbraw/zinc/49/87/15/1035498715.db2.gz FCLVWNCPAGAPDN-UHFFFAOYSA-N 1 2 344.418 3.750 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)s1 ZINC000414101547 1035504504 /nfs/dbraw/zinc/50/45/04/1035504504.db2.gz SIHRVJMAMUOZAE-HZMBPMFUSA-N 1 2 334.416 3.797 20 0 EHADLO Cc1cc(F)c2c(c1)CCCN2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055431130 1035520608 /nfs/dbraw/zinc/52/06/08/1035520608.db2.gz UBMYXABAEYXYJY-UHFFFAOYSA-N 1 2 349.409 3.972 20 0 EHADLO CCc1oc(C(=O)OCCOCCCc2cccc(C)[nH+]2)cc1C ZINC000156613160 1035548550 /nfs/dbraw/zinc/54/85/50/1035548550.db2.gz JGFZACLCYOMFLL-UHFFFAOYSA-N 1 2 331.412 3.660 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)s1 ZINC000414112368 1035567519 /nfs/dbraw/zinc/56/75/19/1035567519.db2.gz YCAQEUVKLXQTBH-IINYFYTJSA-N 1 2 334.416 3.797 20 0 EHADLO c1csc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1 ZINC000463519612 1035597740 /nfs/dbraw/zinc/59/77/40/1035597740.db2.gz PMIBLLMKIADRPT-UHFFFAOYSA-N 1 2 334.448 3.770 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000456996058 1035610419 /nfs/dbraw/zinc/61/04/19/1035610419.db2.gz ZOMQEKFPRSOAKH-SOLBZPMBSA-N 1 2 325.456 3.876 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cnc3cnccn23)c1 ZINC000507190074 1035626506 /nfs/dbraw/zinc/62/65/06/1035626506.db2.gz KPTHWXOYDWBLKL-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cnc3cnccn23)c1 ZINC000507190074 1035626525 /nfs/dbraw/zinc/62/65/25/1035626525.db2.gz KPTHWXOYDWBLKL-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3C)CC2)s1 ZINC000511488922 1035636546 /nfs/dbraw/zinc/63/65/46/1035636546.db2.gz POEGUMQMBBVUCD-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2N(C)C(C)C)s1 ZINC000414126638 1035650319 /nfs/dbraw/zinc/65/03/19/1035650319.db2.gz FGJRAVGNWQTOBV-CYBMUJFWSA-N 1 2 347.484 3.625 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000588167218 1035742044 /nfs/dbraw/zinc/74/20/44/1035742044.db2.gz JCNILSURQQTDRC-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000613402153 1035756276 /nfs/dbraw/zinc/75/62/76/1035756276.db2.gz CPBKFCSYHJYAOG-CHWSQXEVSA-N 1 2 330.457 3.667 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(-c3cccc(F)c3)o2)c(C)[nH+]1 ZINC000187222374 1035774233 /nfs/dbraw/zinc/77/42/33/1035774233.db2.gz FVSGCUQNVDBCCT-XMMPIXPASA-N 1 2 344.411 3.941 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000534964733 1035866493 /nfs/dbraw/zinc/86/64/93/1035866493.db2.gz AQIPCVOKTXRZMT-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000534964733 1035866513 /nfs/dbraw/zinc/86/65/13/1035866513.db2.gz AQIPCVOKTXRZMT-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO CCOC(=O)c1sc2ncccc2c1Nc1ccc(NC)[nH+]c1 ZINC001203450100 1035866752 /nfs/dbraw/zinc/86/67/52/1035866752.db2.gz UBAGAYODYGXJIW-UHFFFAOYSA-N 1 2 328.397 3.653 20 0 EHADLO c1cn(Cc2ccccn2)c(SCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000188004932 1035884033 /nfs/dbraw/zinc/88/40/33/1035884033.db2.gz RKVOGCXPYZBYSK-UHFFFAOYSA-N 1 2 347.447 3.804 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000492491186 1035891441 /nfs/dbraw/zinc/89/14/41/1035891441.db2.gz JJBQYHPLFNQOEW-SREVYHEPSA-N 1 2 327.428 3.517 20 0 EHADLO CC[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@H]1CCCO1 ZINC000230343221 1035906409 /nfs/dbraw/zinc/90/64/09/1035906409.db2.gz KNIVHNFQOUUCRQ-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO CC[N@H+](Cc1c(F)ccc(Br)c1F)C[C@H]1CCCO1 ZINC000230343221 1035906416 /nfs/dbraw/zinc/90/64/16/1035906416.db2.gz KNIVHNFQOUUCRQ-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000913946854 1035986587 /nfs/dbraw/zinc/98/65/87/1035986587.db2.gz JKPNISHBFZOQJP-HNNXBMFYSA-N 1 2 338.455 3.829 20 0 EHADLO CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000492575413 1036008745 /nfs/dbraw/zinc/00/87/45/1036008745.db2.gz KEDPMJGTMQJANT-NBEHIINDSA-N 1 2 339.439 3.536 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000613483289 1036028060 /nfs/dbraw/zinc/02/80/60/1036028060.db2.gz XUUZJRJSDUKOBG-HNNXBMFYSA-N 1 2 338.426 3.768 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000613483289 1036028081 /nfs/dbraw/zinc/02/80/81/1036028081.db2.gz XUUZJRJSDUKOBG-HNNXBMFYSA-N 1 2 338.426 3.768 20 0 EHADLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000163370123 1036073506 /nfs/dbraw/zinc/07/35/06/1036073506.db2.gz WDYOSPMNOUXIOR-IRXDYDNUSA-N 1 2 337.448 3.662 20 0 EHADLO CCn1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)n1 ZINC000414211815 1036086343 /nfs/dbraw/zinc/08/63/43/1036086343.db2.gz QWKDUXIGUQDKIE-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO CC(C)[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000535152467 1036112718 /nfs/dbraw/zinc/11/27/18/1036112718.db2.gz HHKQWKNFMIIOCG-IBGZPJMESA-N 1 2 343.446 3.969 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(F)cc1 ZINC000535205729 1036160325 /nfs/dbraw/zinc/16/03/25/1036160325.db2.gz IELIBDKFGSWVOV-MRXNPFEDSA-N 1 2 347.459 3.648 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(F)cc1 ZINC000535205729 1036160335 /nfs/dbraw/zinc/16/03/35/1036160335.db2.gz IELIBDKFGSWVOV-MRXNPFEDSA-N 1 2 347.459 3.648 20 0 EHADLO O=C(Nc1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000020544190 1036225854 /nfs/dbraw/zinc/22/58/54/1036225854.db2.gz WTUXEVJEBVEGTP-UHFFFAOYSA-N 1 2 335.860 3.751 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(F)cc1Cl ZINC000414241046 1036235007 /nfs/dbraw/zinc/23/50/07/1036235007.db2.gz NZOBWVLMWBOMOB-LLVKDONJSA-N 1 2 341.835 3.733 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2OCC)o1 ZINC000589196910 1036304034 /nfs/dbraw/zinc/30/40/34/1036304034.db2.gz GKZPBUUYNFBPPI-UHFFFAOYSA-N 1 2 337.803 3.798 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000175352833 1036343421 /nfs/dbraw/zinc/34/34/21/1036343421.db2.gz VZZUIBZQBSARPF-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CC[C@H](C)O1 ZINC000191433140 1036380952 /nfs/dbraw/zinc/38/09/52/1036380952.db2.gz FFLFVIKPOMRFTE-RYUDHWBXSA-N 1 2 348.306 3.527 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@@H]1CC[C@H](C)O1 ZINC000191433140 1036380970 /nfs/dbraw/zinc/38/09/70/1036380970.db2.gz FFLFVIKPOMRFTE-RYUDHWBXSA-N 1 2 348.306 3.527 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175562115 1036407511 /nfs/dbraw/zinc/40/75/11/1036407511.db2.gz QWPZSWOIDPBKRJ-IRXDYDNUSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175562091 1036408057 /nfs/dbraw/zinc/40/80/57/1036408057.db2.gz QWPZSWOIDPBKRJ-SJORKVTESA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)c1c(NCc2c[nH+]cn2C)cnn1-c1ccc(Cl)cc1 ZINC000191730361 1036423183 /nfs/dbraw/zinc/42/31/83/1036423183.db2.gz DZDXDVINLZFWIP-UHFFFAOYSA-N 1 2 329.835 3.995 20 0 EHADLO Cc1c(Cl)cncc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000457757500 1036457372 /nfs/dbraw/zinc/45/73/72/1036457372.db2.gz RAVDAZYOTYPOLX-CYBMUJFWSA-N 1 2 349.887 3.624 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000457746740 1036473974 /nfs/dbraw/zinc/47/39/74/1036473974.db2.gz LGCNIAHXAKTSSC-RYUDHWBXSA-N 1 2 334.407 3.542 20 0 EHADLO COc1cc(C)ccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000572730964 1036474514 /nfs/dbraw/zinc/47/45/14/1036474514.db2.gz ZBQGQIZLDUBHLH-WKILWMFISA-N 1 2 339.439 3.552 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1nc(-c2cccnc2)no1 ZINC000192353155 1036498833 /nfs/dbraw/zinc/49/88/33/1036498833.db2.gz CDAWZMADVDOPPN-LRDDRELGSA-N 1 2 336.395 3.565 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1(C)C ZINC000457781886 1036501313 /nfs/dbraw/zinc/50/13/13/1036501313.db2.gz YPFKLKBZCQAADY-GOSISDBHSA-N 1 2 340.471 3.507 20 0 EHADLO C[N@H+](CCc1ccccc1O)Cc1nnc(-c2ccccc2)s1 ZINC000464477766 1036505302 /nfs/dbraw/zinc/50/53/02/1036505302.db2.gz BZXVFSUNNMTAJE-UHFFFAOYSA-N 1 2 325.437 3.585 20 0 EHADLO C[N@@H+](CCc1ccccc1O)Cc1nnc(-c2ccccc2)s1 ZINC000464477766 1036505315 /nfs/dbraw/zinc/50/53/15/1036505315.db2.gz BZXVFSUNNMTAJE-UHFFFAOYSA-N 1 2 325.437 3.585 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000457818215 1036532040 /nfs/dbraw/zinc/53/20/40/1036532040.db2.gz OLVZKVCHQLGSRZ-SNVBAGLBSA-N 1 2 345.752 3.730 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C\c3ccc(C)nc3)cc2)c1C ZINC000493017594 1036532876 /nfs/dbraw/zinc/53/28/76/1036532876.db2.gz BLWOFYNTGJFFTF-WDZFZDKYSA-N 1 2 332.407 3.844 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)NCCc3cn(C)c[nH+]3)o2)c1 ZINC000457846899 1036569072 /nfs/dbraw/zinc/56/90/72/1036569072.db2.gz CFJOEFPMCPOAIO-UHFFFAOYSA-N 1 2 337.423 3.776 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000175833090 1036576577 /nfs/dbraw/zinc/57/65/77/1036576577.db2.gz FBLDELMQZRCDQL-JTQLQIEISA-N 1 2 327.215 3.648 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)CCCCc2ccc(C(C)(C)C)cc2)c1 ZINC000457860600 1036586051 /nfs/dbraw/zinc/58/60/51/1036586051.db2.gz OSBDFBMZUCFMKN-UHFFFAOYSA-N 1 2 341.499 3.789 20 0 EHADLO Oc1ccccc1N1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000541772119 1036643051 /nfs/dbraw/zinc/64/30/51/1036643051.db2.gz WOSUXGFLIITRPF-ARJAWSKDSA-N 1 2 330.378 3.506 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC000589855613 1036655316 /nfs/dbraw/zinc/65/53/16/1036655316.db2.gz XOKSLYRQTDCNLA-SFHVURJKSA-N 1 2 346.515 3.720 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1cccc(C)c1 ZINC000493086256 1036655730 /nfs/dbraw/zinc/65/57/30/1036655730.db2.gz QOHKUGLSTIMYIM-ZHACJKMWSA-N 1 2 325.456 3.706 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](CC(F)(F)F)C(C)C)c(N(C)C)[nH+]1 ZINC000782791390 1036704015 /nfs/dbraw/zinc/70/40/15/1036704015.db2.gz ZGDIBTYAWQFBES-GFCCVEGCSA-N 1 2 332.370 3.555 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3nnc(CC)s3)CC2)n1 ZINC000653804388 1036714778 /nfs/dbraw/zinc/71/47/78/1036714778.db2.gz OAMXKQXVKBJGFF-UHFFFAOYSA-N 1 2 336.530 3.574 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)s1 ZINC000541882176 1036756538 /nfs/dbraw/zinc/75/65/38/1036756538.db2.gz JPVNVBXVLRHQSG-SNVBAGLBSA-N 1 2 347.875 3.845 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769150 1036761367 /nfs/dbraw/zinc/76/13/67/1036761367.db2.gz HSXKSFFENXURER-NHYWBVRUSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769150 1036761387 /nfs/dbraw/zinc/76/13/87/1036761387.db2.gz HSXKSFFENXURER-NHYWBVRUSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000414340486 1036777303 /nfs/dbraw/zinc/77/73/03/1036777303.db2.gz ULFOADOPDYJGJU-BBWFWOEESA-N 1 2 346.450 3.605 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)s1 ZINC000590186747 1036789637 /nfs/dbraw/zinc/78/96/37/1036789637.db2.gz WVEUKRAZOYMKIB-UHFFFAOYSA-N 1 2 348.541 3.600 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+][C@H](C)c2ncc(C)s2)cn1 ZINC000491257990 1036799939 /nfs/dbraw/zinc/79/99/39/1036799939.db2.gz HLPJBJPNRGULHP-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO CCCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000539485845 1036802060 /nfs/dbraw/zinc/80/20/60/1036802060.db2.gz GOKOGEWLOGTZGU-LJQANCHMSA-N 1 2 340.471 3.825 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(O)c1Cl ZINC000590344850 1036838461 /nfs/dbraw/zinc/83/84/61/1036838461.db2.gz OELUAQIZGGWFKP-UHFFFAOYSA-N 1 2 333.815 3.611 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(O)c1Cl ZINC000590344850 1036838479 /nfs/dbraw/zinc/83/84/79/1036838479.db2.gz OELUAQIZGGWFKP-UHFFFAOYSA-N 1 2 333.815 3.611 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2cc3ccccc3o2)c(N(C)C)[nH+]1 ZINC000162398781 1036886950 /nfs/dbraw/zinc/88/69/50/1036886950.db2.gz ZPYAOHXYWSKJDV-UHFFFAOYSA-N 1 2 338.411 3.866 20 0 EHADLO C[C@H](CNc1nc2ccccc2c(-c2ccccc2)n1)Cn1cc[nH+]c1 ZINC000590493444 1036901225 /nfs/dbraw/zinc/90/12/25/1036901225.db2.gz CDNFNTPHIKJFAP-MRXNPFEDSA-N 1 2 343.434 3.663 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103410554 1036905792 /nfs/dbraw/zinc/90/57/92/1036905792.db2.gz SXKOKXDAFSYWQW-UHFFFAOYSA-N 1 2 343.496 3.742 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103410554 1036905807 /nfs/dbraw/zinc/90/58/07/1036905807.db2.gz SXKOKXDAFSYWQW-UHFFFAOYSA-N 1 2 343.496 3.742 20 0 EHADLO CC(C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103504807 1036914620 /nfs/dbraw/zinc/91/46/20/1036914620.db2.gz QJCXDIRMGLJFPB-UHFFFAOYSA-N 1 2 348.450 3.806 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000572929899 1036917384 /nfs/dbraw/zinc/91/73/84/1036917384.db2.gz RTXXAVOOBFECGT-MRXNPFEDSA-N 1 2 349.434 3.778 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162477200 1036919330 /nfs/dbraw/zinc/91/93/30/1036919330.db2.gz CIBMINZCJGTDMM-AWEZNQCLSA-N 1 2 336.505 3.596 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000024750298 1036988067 /nfs/dbraw/zinc/98/80/67/1036988067.db2.gz YIBKAFRPWTXWNW-MOPGFXCFSA-N 1 2 337.467 3.786 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532456 1036994827 /nfs/dbraw/zinc/99/48/27/1036994827.db2.gz VKQNSVNRNANFMK-KBPBESRZSA-N 1 2 348.541 3.884 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532456 1036994843 /nfs/dbraw/zinc/99/48/43/1036994843.db2.gz VKQNSVNRNANFMK-KBPBESRZSA-N 1 2 348.541 3.884 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725674 1037009126 /nfs/dbraw/zinc/00/91/26/1037009126.db2.gz RKPHZKPNVWSMFT-SJLPKXTDSA-N 1 2 343.496 3.864 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733558 1037034958 /nfs/dbraw/zinc/03/49/58/1037034958.db2.gz QLXXILWINGANDA-LBPRGKRZSA-N 1 2 338.238 3.596 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590735252 1037038289 /nfs/dbraw/zinc/03/82/89/1037038289.db2.gz QIDQAPTXAKFALQ-LJQANCHMSA-N 1 2 325.456 3.632 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)c1 ZINC000053147603 1037047958 /nfs/dbraw/zinc/04/79/58/1037047958.db2.gz GSEKDSFVRTUKSR-SFHVURJKSA-N 1 2 341.842 3.961 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1C ZINC000590787321 1037051943 /nfs/dbraw/zinc/05/19/43/1037051943.db2.gz KWNBXKBDTJYHNC-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1C ZINC000590787321 1037051952 /nfs/dbraw/zinc/05/19/52/1037051952.db2.gz KWNBXKBDTJYHNC-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO c1cc(-c2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)o2)n[nH]1 ZINC000376469723 1037055305 /nfs/dbraw/zinc/05/53/05/1037055305.db2.gz URTZNIAPOFHRLA-HXUWFJFHSA-N 1 2 330.391 3.944 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)s1 ZINC000414369949 1037061539 /nfs/dbraw/zinc/06/15/39/1037061539.db2.gz KOKOMLCCZNKRJK-INIZCTEOSA-N 1 2 349.521 3.749 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)s1 ZINC000414369949 1037061555 /nfs/dbraw/zinc/06/15/55/1037061555.db2.gz KOKOMLCCZNKRJK-INIZCTEOSA-N 1 2 349.521 3.749 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(F)c(Cl)c2)c1C ZINC000178623672 1037069490 /nfs/dbraw/zinc/06/94/90/1037069490.db2.gz OOURKGWAUDFJBW-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO O=C(NCCC1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542114709 1037071976 /nfs/dbraw/zinc/07/19/76/1037071976.db2.gz OOCWVJQTLOETDI-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000636435883 1037073907 /nfs/dbraw/zinc/07/39/07/1037073907.db2.gz FVDYMPXMNAMAJL-GFCCVEGCSA-N 1 2 346.418 3.698 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590848178 1037082971 /nfs/dbraw/zinc/08/29/71/1037082971.db2.gz UPRHSHCRJFNDCV-ROUUACIJSA-N 1 2 326.444 3.627 20 0 EHADLO Cc1ccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c(C)c1O ZINC000178796146 1037101419 /nfs/dbraw/zinc/10/14/19/1037101419.db2.gz JGGULEVASDOYTR-UXBLZVDNSA-N 1 2 333.391 3.847 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590859939 1037103225 /nfs/dbraw/zinc/10/32/25/1037103225.db2.gz FEFQWBHNXRKLEK-DOTOQJQBSA-N 1 2 344.846 3.571 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715462 1037113275 /nfs/dbraw/zinc/11/32/75/1037113275.db2.gz BMQPZGGZLLFYGK-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715462 1037113283 /nfs/dbraw/zinc/11/32/83/1037113283.db2.gz BMQPZGGZLLFYGK-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715464 1037113526 /nfs/dbraw/zinc/11/35/26/1037113526.db2.gz BMQPZGGZLLFYGK-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715464 1037113537 /nfs/dbraw/zinc/11/35/37/1037113537.db2.gz BMQPZGGZLLFYGK-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cs1 ZINC000648498731 1037148365 /nfs/dbraw/zinc/14/83/65/1037148365.db2.gz ZHRWJPYKOSEEKY-LBPRGKRZSA-N 1 2 338.498 3.521 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000493259390 1037180245 /nfs/dbraw/zinc/18/02/45/1037180245.db2.gz RGUZKJMAWNXSKH-MDZDMXLPSA-N 1 2 327.403 3.576 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000591053309 1037201705 /nfs/dbraw/zinc/20/17/05/1037201705.db2.gz JBLQQAMAPBFMLV-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000591027667 1037206623 /nfs/dbraw/zinc/20/66/23/1037206623.db2.gz XQRQPUHTIRRAIX-SFHVURJKSA-N 1 2 344.434 3.643 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000462635113 1037215937 /nfs/dbraw/zinc/21/59/37/1037215937.db2.gz AFNWQTMSPFDQTP-SUMWQHHRSA-N 1 2 330.378 3.528 20 0 EHADLO O=C(NCc1c(Cl)cccc1Cl)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539805146 1037220757 /nfs/dbraw/zinc/22/07/57/1037220757.db2.gz FBDIDOFVKAXVIT-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000539828447 1037253690 /nfs/dbraw/zinc/25/36/90/1037253690.db2.gz LXAVRUCULNPYSE-NRFANRHFSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000539828447 1037253701 /nfs/dbraw/zinc/25/37/01/1037253701.db2.gz LXAVRUCULNPYSE-NRFANRHFSA-N 1 2 333.435 3.959 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2C(C)C)ccc1O ZINC000177056300 1037344975 /nfs/dbraw/zinc/34/49/75/1037344975.db2.gz PKWXUZHEFSEJIT-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)C)ccc1O ZINC000177056300 1037344980 /nfs/dbraw/zinc/34/49/80/1037344980.db2.gz PKWXUZHEFSEJIT-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cnc4nc(C)cc(C)n34)co2)cc1 ZINC000157299094 1037354128 /nfs/dbraw/zinc/35/41/28/1037354128.db2.gz GEKXFNMOKJMDHZ-UHFFFAOYSA-N 1 2 347.422 3.599 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000177110216 1037371997 /nfs/dbraw/zinc/37/19/97/1037371997.db2.gz KHHFNUJWAFSUMI-UHFFFAOYSA-N 1 2 341.455 3.881 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1nccs1 ZINC000301318285 1037376121 /nfs/dbraw/zinc/37/61/21/1037376121.db2.gz CJWOPMRQOBPPNP-CQSZACIVSA-N 1 2 336.424 3.835 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1Cl ZINC000177200190 1037419093 /nfs/dbraw/zinc/41/90/93/1037419093.db2.gz MPEFZJMNZSUUHG-LSDHHAIUSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1Cl ZINC000177200190 1037419100 /nfs/dbraw/zinc/41/91/00/1037419100.db2.gz MPEFZJMNZSUUHG-LSDHHAIUSA-N 1 2 342.867 3.778 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2coc(-c3cccc(F)c3)n2)cc1O ZINC000177218159 1037424021 /nfs/dbraw/zinc/42/40/21/1037424021.db2.gz OXYDQCMCWRUBOE-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)cc1O ZINC000177218159 1037424034 /nfs/dbraw/zinc/42/40/34/1037424034.db2.gz OXYDQCMCWRUBOE-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO O=C(N[C@@H]1CC12CCCCC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000539992484 1037429909 /nfs/dbraw/zinc/42/99/09/1037429909.db2.gz GQBXYMZFUOOIIL-QZTJIDSGSA-N 1 2 344.524 3.616 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491449287 1037480295 /nfs/dbraw/zinc/48/02/95/1037480295.db2.gz ONBPRYYRJGQCQV-RXQFDZFGSA-N 1 2 331.419 3.982 20 0 EHADLO Cc1cccc2c(CCNc3cc(N4CCCCC4)nc[nH+]3)c[nH]c21 ZINC000462865709 1037489440 /nfs/dbraw/zinc/48/94/40/1037489440.db2.gz DIOAAXBIHOSBEH-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO Cc1cccc2c(CCNc3cc(N4CCCCC4)[nH+]cn3)c[nH]c21 ZINC000462865709 1037489452 /nfs/dbraw/zinc/48/94/52/1037489452.db2.gz DIOAAXBIHOSBEH-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000491479210 1037499298 /nfs/dbraw/zinc/49/92/98/1037499298.db2.gz KDUUWNDJEBFQQA-RLLQIKCJSA-N 1 2 349.478 3.826 20 0 EHADLO Cc1c(C[N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)cnn1C ZINC000573388035 1037501844 /nfs/dbraw/zinc/50/18/44/1037501844.db2.gz QQRLRWDBHRANNN-UHFFFAOYSA-N 1 2 333.863 3.803 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)cnn1C ZINC000573388035 1037501852 /nfs/dbraw/zinc/50/18/52/1037501852.db2.gz QQRLRWDBHRANNN-UHFFFAOYSA-N 1 2 333.863 3.803 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3C[C@H]3Cc3ccccc3)c12 ZINC000462883307 1037513132 /nfs/dbraw/zinc/51/31/32/1037513132.db2.gz JSFDXTSWVZZXMT-VQIMIIECSA-N 1 2 341.418 3.859 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591597225 1037521341 /nfs/dbraw/zinc/52/13/41/1037521341.db2.gz JMZUCOVHHOHZCX-RBUKOAKNSA-N 1 2 338.455 3.771 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591597227 1037522714 /nfs/dbraw/zinc/52/27/14/1037522714.db2.gz JMZUCOVHHOHZCX-RTBURBONSA-N 1 2 338.455 3.771 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000493730830 1037587174 /nfs/dbraw/zinc/58/71/74/1037587174.db2.gz WTZVOHBXRJCCHE-UTQLBYGMSA-N 1 2 348.406 3.695 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507587 1037591442 /nfs/dbraw/zinc/59/14/42/1037591442.db2.gz LYBSAPGNSFUSBE-MOPGFXCFSA-N 1 2 331.456 3.560 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507587 1037591454 /nfs/dbraw/zinc/59/14/54/1037591454.db2.gz LYBSAPGNSFUSBE-MOPGFXCFSA-N 1 2 331.456 3.560 20 0 EHADLO C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914307604 1037611967 /nfs/dbraw/zinc/61/19/67/1037611967.db2.gz FSXIBNKLOGHPTO-IEBWSBKVSA-N 1 2 340.471 3.641 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811105 1037651905 /nfs/dbraw/zinc/65/19/05/1037651905.db2.gz OBEAHHQEGRFXEI-BEFAXECRSA-N 1 2 349.434 3.860 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811105 1037651911 /nfs/dbraw/zinc/65/19/11/1037651911.db2.gz OBEAHHQEGRFXEI-BEFAXECRSA-N 1 2 349.434 3.860 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3C[C@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132585 1037685259 /nfs/dbraw/zinc/68/52/59/1037685259.db2.gz CHCKFPXHHHCFNV-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3C[C@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132585 1037685270 /nfs/dbraw/zinc/68/52/70/1037685270.db2.gz CHCKFPXHHHCFNV-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(Br)s2)c(N(C)C)[nH+]1 ZINC000152799643 1037708100 /nfs/dbraw/zinc/70/81/00/1037708100.db2.gz CKISXHTUUBDMRA-UHFFFAOYSA-N 1 2 340.246 3.532 20 0 EHADLO Cn1c(Cl)c(Cl)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118651 1037759542 /nfs/dbraw/zinc/75/95/42/1037759542.db2.gz SBUPMYBZYMOANM-UHFFFAOYSA-N 1 2 335.194 3.770 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372069 1037795163 /nfs/dbraw/zinc/79/51/63/1037795163.db2.gz DQSSDFJQMPXQSL-MAUKXSAKSA-N 1 2 334.419 3.885 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372069 1037795180 /nfs/dbraw/zinc/79/51/80/1037795180.db2.gz DQSSDFJQMPXQSL-MAUKXSAKSA-N 1 2 334.419 3.885 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000378060575 1037798641 /nfs/dbraw/zinc/79/86/41/1037798641.db2.gz PQWSKIGOVGYZFD-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000378060575 1037798649 /nfs/dbraw/zinc/79/86/49/1037798649.db2.gz PQWSKIGOVGYZFD-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)C2 ZINC001168230274 1037815951 /nfs/dbraw/zinc/81/59/51/1037815951.db2.gz LJXZVXGFCWVUCO-AEFFLSMTSA-N 1 2 333.472 3.508 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000494096369 1037816603 /nfs/dbraw/zinc/81/66/03/1037816603.db2.gz JRKWPRDAFLLRIY-RVBDROBCSA-N 1 2 348.437 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000494096369 1037816619 /nfs/dbraw/zinc/81/66/19/1037816619.db2.gz JRKWPRDAFLLRIY-RVBDROBCSA-N 1 2 348.437 3.653 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463152718 1037821422 /nfs/dbraw/zinc/82/14/22/1037821422.db2.gz PUWBMMDVQWAFFO-JKSUJKDBSA-N 1 2 337.533 3.961 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1ncc(Br)cc1F ZINC000623561461 1037846036 /nfs/dbraw/zinc/84/60/36/1037846036.db2.gz OCGYSUHZUNBNBY-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378090368 1037878920 /nfs/dbraw/zinc/87/89/20/1037878920.db2.gz UBGSBUQRDUWRQW-OLZOCXBDSA-N 1 2 347.821 3.712 20 0 EHADLO O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378090368 1037878947 /nfs/dbraw/zinc/87/89/47/1037878947.db2.gz UBGSBUQRDUWRQW-OLZOCXBDSA-N 1 2 347.821 3.712 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000119186366 1037888270 /nfs/dbraw/zinc/88/82/70/1037888270.db2.gz RQXZLFPSBQJLCG-YXMGTMDOSA-N 1 2 343.858 3.568 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000492068850 1037935303 /nfs/dbraw/zinc/93/53/03/1037935303.db2.gz PNRVDDWGKVBWML-ILVPNPQQSA-N 1 2 325.412 3.546 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000492068850 1037935319 /nfs/dbraw/zinc/93/53/19/1037935319.db2.gz PNRVDDWGKVBWML-ILVPNPQQSA-N 1 2 325.412 3.546 20 0 EHADLO O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492071162 1037938359 /nfs/dbraw/zinc/93/83/59/1037938359.db2.gz WXUIHJGMKPGKAK-PLNGDYQASA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492071162 1037938373 /nfs/dbraw/zinc/93/83/73/1037938373.db2.gz WXUIHJGMKPGKAK-PLNGDYQASA-N 1 2 349.356 3.848 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(C)c3)CCC2)s1 ZINC000592398257 1037941302 /nfs/dbraw/zinc/94/13/02/1037941302.db2.gz WUYFUPISHRMBKJ-ZDUSSCGKSA-N 1 2 330.453 3.968 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)c(F)c1 ZINC000540440090 1037942184 /nfs/dbraw/zinc/94/21/84/1037942184.db2.gz WHYIQBXFHUINPQ-LBPRGKRZSA-N 1 2 334.366 3.571 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000120755030 1037944204 /nfs/dbraw/zinc/94/42/04/1037944204.db2.gz ZLLAEFZHGZHIAF-CEQQRPIWSA-N 1 2 337.467 3.695 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2cc(C)ccc2F)c1C ZINC000058466594 1037948401 /nfs/dbraw/zinc/94/84/01/1037948401.db2.gz CNONBIXWKYAWOL-UHFFFAOYSA-N 1 2 347.459 3.983 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000332933864 1037966111 /nfs/dbraw/zinc/96/61/11/1037966111.db2.gz JVQMILFMLVPSDC-IXDOHACOSA-N 1 2 332.492 3.524 20 0 EHADLO CCc1nc(C2([NH2+]C[C@@H]3CCC4(CCCCC4)O3)CCCC2)no1 ZINC000190976778 1038025106 /nfs/dbraw/zinc/02/51/06/1038025106.db2.gz FHMOZVURUPRUIS-HNNXBMFYSA-N 1 2 333.476 3.873 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccccc3Br)ccc2[nH+]1 ZINC000041305243 1038079332 /nfs/dbraw/zinc/07/93/32/1038079332.db2.gz VCCOKLFNFNSCIV-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000651320233 1038084476 /nfs/dbraw/zinc/08/44/76/1038084476.db2.gz YKIDHXDUIPROOQ-FQEVSTJZSA-N 1 2 325.456 3.584 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ccc(C(F)(F)F)n2)ccc1SC ZINC000058540585 1038092946 /nfs/dbraw/zinc/09/29/46/1038092946.db2.gz NDXOOPYZOUTDGO-UHFFFAOYSA-N 1 2 345.390 3.722 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ccc(C(F)(F)F)n2)ccc1SC ZINC000058540585 1038092967 /nfs/dbraw/zinc/09/29/67/1038092967.db2.gz NDXOOPYZOUTDGO-UHFFFAOYSA-N 1 2 345.390 3.722 20 0 EHADLO Cc1ccc(CSCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124387971 1038178668 /nfs/dbraw/zinc/17/86/68/1038178668.db2.gz YLKIQLUMOMUOMS-WMZOPIPTSA-N 1 2 343.496 3.534 20 0 EHADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000398060346 1038409775 /nfs/dbraw/zinc/40/97/75/1038409775.db2.gz MMJZIPMBRCSCBV-TVQRCGJNSA-N 1 2 340.197 3.511 20 0 EHADLO COc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000667119021 1038446983 /nfs/dbraw/zinc/44/69/83/1038446983.db2.gz GBOWUWLABUOJSK-JKSUJKDBSA-N 1 2 325.412 3.693 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000648377514 1038477533 /nfs/dbraw/zinc/47/75/33/1038477533.db2.gz FEXPUNPNURIQLM-FQEVSTJZSA-N 1 2 343.492 3.846 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000648377514 1038477537 /nfs/dbraw/zinc/47/75/37/1038477537.db2.gz FEXPUNPNURIQLM-FQEVSTJZSA-N 1 2 343.492 3.846 20 0 EHADLO COc1cc(F)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1OC ZINC000566336138 1038554038 /nfs/dbraw/zinc/55/40/38/1038554038.db2.gz SDEALBHTUROOJK-UHFFFAOYSA-N 1 2 338.448 3.941 20 0 EHADLO Cc1cc(NC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)c(C)c[nH+]1 ZINC000538827324 1038554079 /nfs/dbraw/zinc/55/40/79/1038554079.db2.gz UZJPGPGGBTWLLS-KRWDZBQOSA-N 1 2 332.831 3.816 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)CC[C@H]1c1ccccc1 ZINC000538953158 1038612359 /nfs/dbraw/zinc/61/23/59/1038612359.db2.gz IKWMNMBYLDIGRJ-YLJYHZDGSA-N 1 2 332.451 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)CC[C@H]1c1ccccc1 ZINC000538953158 1038612363 /nfs/dbraw/zinc/61/23/63/1038612363.db2.gz IKWMNMBYLDIGRJ-YLJYHZDGSA-N 1 2 332.451 3.893 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378437080 1038615245 /nfs/dbraw/zinc/61/52/45/1038615245.db2.gz FBIZRKBLLPRFDO-KRWDZBQOSA-N 1 2 339.483 3.537 20 0 EHADLO C[C@@H](CC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000552028566 1038628204 /nfs/dbraw/zinc/62/82/04/1038628204.db2.gz SIJPXXZGQQMGLL-STQMWFEESA-N 1 2 328.441 3.664 20 0 EHADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000552028565 1038628414 /nfs/dbraw/zinc/62/84/14/1038628414.db2.gz SIJPXXZGQQMGLL-QWHCGFSZSA-N 1 2 328.441 3.664 20 0 EHADLO Cc1cc(F)cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000539015191 1038640748 /nfs/dbraw/zinc/64/07/48/1038640748.db2.gz AOGDKAPSJQYANV-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000416428494 1038655534 /nfs/dbraw/zinc/65/55/34/1038655534.db2.gz QRTAKDVLWPWYPR-UHFFFAOYSA-N 1 2 338.411 3.594 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175644 1038672496 /nfs/dbraw/zinc/67/24/96/1038672496.db2.gz XBBYFAJGUCCYFJ-CYBMUJFWSA-N 1 2 338.274 3.946 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175644 1038672499 /nfs/dbraw/zinc/67/24/99/1038672499.db2.gz XBBYFAJGUCCYFJ-CYBMUJFWSA-N 1 2 338.274 3.946 20 0 EHADLO CC(C)c1cc(N2CC[C@](CO)(c3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000461931026 1038679727 /nfs/dbraw/zinc/67/97/27/1038679727.db2.gz KRHSLIUOWMLPMH-NRFANRHFSA-N 1 2 339.483 3.864 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3cccc(SC)c3)CCO2)c1 ZINC000660015969 1038708004 /nfs/dbraw/zinc/70/80/04/1038708004.db2.gz WAHDZIZPAVBBSV-IBGZPJMESA-N 1 2 329.465 3.991 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(SC)c3)CCO2)c1 ZINC000660015969 1038708011 /nfs/dbraw/zinc/70/80/11/1038708011.db2.gz WAHDZIZPAVBBSV-IBGZPJMESA-N 1 2 329.465 3.991 20 0 EHADLO C[C@H](NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1 ZINC000539227534 1038740301 /nfs/dbraw/zinc/74/03/01/1038740301.db2.gz UKPXJFYYLUWEBO-RYUDHWBXSA-N 1 2 336.357 3.632 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1c(Cl)cccc1OCC1CC1 ZINC000910265627 1038794869 /nfs/dbraw/zinc/79/48/69/1038794869.db2.gz YFFQAFHIPTWCLX-UHFFFAOYSA-N 1 2 334.803 3.572 20 0 EHADLO COc1cccc2c1[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CC2 ZINC000431888517 1038795973 /nfs/dbraw/zinc/79/59/73/1038795973.db2.gz XLSGIKXTOOPPGG-HNNXBMFYSA-N 1 2 333.391 3.549 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCOC2(CCCC2)C1 ZINC000485260550 1038821174 /nfs/dbraw/zinc/82/11/74/1038821174.db2.gz LUHOALQPSJUACX-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCOC2(CCCC2)C1 ZINC000485260550 1038821200 /nfs/dbraw/zinc/82/12/00/1038821200.db2.gz LUHOALQPSJUACX-INIZCTEOSA-N 1 2 338.451 3.812 20 0 EHADLO CC[NH+]1CCC(CCNc2[nH+]c3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000910356673 1038852662 /nfs/dbraw/zinc/85/26/62/1038852662.db2.gz FSBWNWOGFSVEQI-UHFFFAOYSA-N 1 2 341.455 3.775 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667575890 1038890951 /nfs/dbraw/zinc/89/09/51/1038890951.db2.gz XQYZAKXHWNMBRV-MKXGPGLRSA-N 1 2 337.467 3.708 20 0 EHADLO C[C@@]1([NH2+]Cc2nnc(C(F)(F)F)s2)CCCc2ccccc21 ZINC000660068347 1038905056 /nfs/dbraw/zinc/90/50/56/1038905056.db2.gz DZDDVLMVVMKVHQ-CQSZACIVSA-N 1 2 327.375 3.898 20 0 EHADLO CC([NH2+]Cc1ncnn1CC(F)F)(c1ccccc1)c1ccccc1 ZINC000488168595 1038929430 /nfs/dbraw/zinc/92/94/30/1038929430.db2.gz LUAIHVILPBIGQJ-UHFFFAOYSA-N 1 2 342.393 3.597 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000155469853 1038930549 /nfs/dbraw/zinc/93/05/49/1038930549.db2.gz SLYGEASPQHFASE-QAPCUYQASA-N 1 2 325.456 3.904 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc2ccccc2nc1OC ZINC000552103920 1038990719 /nfs/dbraw/zinc/99/07/19/1038990719.db2.gz MCYRVFXMKREHDI-UHFFFAOYSA-N 1 2 340.423 3.793 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc2ccccc2nc1OC ZINC000552103920 1038990728 /nfs/dbraw/zinc/99/07/28/1038990728.db2.gz MCYRVFXMKREHDI-UHFFFAOYSA-N 1 2 340.423 3.793 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@@H](C)[C@H]2C)c1)[NH+]1CCOCC1 ZINC000416809197 1039052766 /nfs/dbraw/zinc/05/27/66/1039052766.db2.gz PYRRKRXBTLIZAD-VQHPVUNQSA-N 1 2 345.487 3.588 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000554200337 1039057148 /nfs/dbraw/zinc/05/71/48/1039057148.db2.gz WTDOFPANSDMSBC-KSSFIOAISA-N 1 2 345.874 3.955 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC000924733144 1039091605 /nfs/dbraw/zinc/09/16/05/1039091605.db2.gz CZXBXEKSQWZRAT-SECBINFHSA-N 1 2 343.374 3.750 20 0 EHADLO COCCC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCC1 ZINC000552230596 1039096000 /nfs/dbraw/zinc/09/60/00/1039096000.db2.gz MVGGBWCDHGAIBG-QAQDUYKDSA-N 1 2 345.487 3.518 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512426280 1039096234 /nfs/dbraw/zinc/09/62/34/1039096234.db2.gz FOHSYTAALKEBET-UMVBOHGHSA-N 1 2 343.298 3.849 20 0 EHADLO CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000279919644 1039108858 /nfs/dbraw/zinc/10/88/58/1039108858.db2.gz GMWJKXREXAVGDL-GOEBONIOSA-N 1 2 327.428 3.919 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)CC1 ZINC000667617352 1039131443 /nfs/dbraw/zinc/13/14/43/1039131443.db2.gz OVXJFJGIBRCLRN-UHFFFAOYSA-N 1 2 332.492 3.563 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000067410605 1039178247 /nfs/dbraw/zinc/17/82/47/1039178247.db2.gz NWUOLJKWUWBKAO-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]CC(F)(F)c2cccc(OC)n2)C12CCCC2 ZINC000552335238 1039192557 /nfs/dbraw/zinc/19/25/57/1039192557.db2.gz MIPMQJNNITXKAE-GJZGRUSLSA-N 1 2 340.414 3.509 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000488454735 1039202525 /nfs/dbraw/zinc/20/25/25/1039202525.db2.gz ZLBUOTGHQJDTTM-QAPCUYQASA-N 1 2 346.377 3.893 20 0 EHADLO CC[C@@]1(C)C[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473014689 1039220632 /nfs/dbraw/zinc/22/06/32/1039220632.db2.gz IOCOSOLYDBWVPJ-KMCQBPLKSA-N 1 2 338.492 3.555 20 0 EHADLO CC[C@@]1(C)C[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473014689 1039220650 /nfs/dbraw/zinc/22/06/50/1039220650.db2.gz IOCOSOLYDBWVPJ-KMCQBPLKSA-N 1 2 338.492 3.555 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000108967454 1039278337 /nfs/dbraw/zinc/27/83/37/1039278337.db2.gz CBTXILSZWNVRBI-CYBMUJFWSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000108967452 1039279072 /nfs/dbraw/zinc/27/90/72/1039279072.db2.gz CBTXILSZWNVRBI-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000351825572 1039293326 /nfs/dbraw/zinc/29/33/26/1039293326.db2.gz ZFWQXYDYZDGXEA-CQSZACIVSA-N 1 2 337.847 3.518 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000351825572 1039293337 /nfs/dbraw/zinc/29/33/37/1039293337.db2.gz ZFWQXYDYZDGXEA-CQSZACIVSA-N 1 2 337.847 3.518 20 0 EHADLO Clc1cccc(Cl)c1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000644891509 1039295457 /nfs/dbraw/zinc/29/54/57/1039295457.db2.gz QUSKBRSMJFNHOT-UHFFFAOYSA-N 1 2 333.222 3.864 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1nc(C2CCCCC2)no1 ZINC000237447597 1039367082 /nfs/dbraw/zinc/36/70/82/1039367082.db2.gz WBEZWMBTXPXDKX-GFCCVEGCSA-N 1 2 325.416 3.844 20 0 EHADLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646961 1039376734 /nfs/dbraw/zinc/37/67/34/1039376734.db2.gz ICDXVOFUXFTPRF-RBUKOAKNSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646961 1039376752 /nfs/dbraw/zinc/37/67/52/1039376752.db2.gz ICDXVOFUXFTPRF-RBUKOAKNSA-N 1 2 344.405 3.702 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)nn1 ZINC000906273100 1039430295 /nfs/dbraw/zinc/43/02/95/1039430295.db2.gz QVVSODWJGFBBMT-OXQOHEQNSA-N 1 2 340.471 3.539 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)nn1 ZINC000906273100 1039430304 /nfs/dbraw/zinc/43/03/04/1039430304.db2.gz QVVSODWJGFBBMT-OXQOHEQNSA-N 1 2 340.471 3.539 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1C ZINC000554541404 1039458114 /nfs/dbraw/zinc/45/81/14/1039458114.db2.gz AKHDWBKGTOUNBP-INIZCTEOSA-N 1 2 349.438 3.826 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543512 1039461627 /nfs/dbraw/zinc/46/16/27/1039461627.db2.gz HAYCLOOKXMLRSB-PVAVHDDUSA-N 1 2 339.443 3.511 20 0 EHADLO NC(Cc1cccc(F)c1)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000783171133 1039468614 /nfs/dbraw/zinc/46/86/14/1039468614.db2.gz FAGLARONMCQWAJ-UHFFFAOYSA-N 1 2 333.310 3.542 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488921251 1039472575 /nfs/dbraw/zinc/47/25/75/1039472575.db2.gz RCOOQVPGGKKIOC-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO c1ccc(OC2CCCC2)c(C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485730154 1039475303 /nfs/dbraw/zinc/47/53/03/1039475303.db2.gz RKFVTTUGJKFQNQ-FQEVSTJZSA-N 1 2 345.483 3.635 20 0 EHADLO c1ccc(OC2CCCC2)c(C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485730154 1039475307 /nfs/dbraw/zinc/47/53/07/1039475307.db2.gz RKFVTTUGJKFQNQ-FQEVSTJZSA-N 1 2 345.483 3.635 20 0 EHADLO Brc1cnc(C2([NH2+][C@H]3CCc4ccccc43)CCC2)nc1 ZINC000927146307 1039498478 /nfs/dbraw/zinc/49/84/78/1039498478.db2.gz VHEKGXCHYRYOET-HNNXBMFYSA-N 1 2 344.256 3.895 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582497 1039508734 /nfs/dbraw/zinc/50/87/34/1039508734.db2.gz DMLNUICIZHLZFI-VBKZILBWSA-N 1 2 337.398 3.705 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582497 1039508749 /nfs/dbraw/zinc/50/87/49/1039508749.db2.gz DMLNUICIZHLZFI-VBKZILBWSA-N 1 2 337.398 3.705 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000584689233 1039510058 /nfs/dbraw/zinc/51/00/58/1039510058.db2.gz DRGZSBCABGNZNR-FUHWJXTLSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1[C@@H]1CCCO1 ZINC000584689233 1039510064 /nfs/dbraw/zinc/51/00/64/1039510064.db2.gz DRGZSBCABGNZNR-FUHWJXTLSA-N 1 2 347.409 3.540 20 0 EHADLO Brc1cccc2c(N3CCO[C@H]4CCC[C@@H]43)cc[nH+]c12 ZINC000552805832 1039528812 /nfs/dbraw/zinc/52/88/12/1039528812.db2.gz FLKUTTHIJMPVKI-GJZGRUSLSA-N 1 2 333.229 3.755 20 0 EHADLO CCc1cc2c(CC(=O)N[C@@H]3CCn4c[nH+]cc43)csc2s1 ZINC000898810781 1039557093 /nfs/dbraw/zinc/55/70/93/1039557093.db2.gz NTBQVDSJBDFHOB-CYBMUJFWSA-N 1 2 331.466 3.525 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000432865070 1039564718 /nfs/dbraw/zinc/56/47/18/1039564718.db2.gz HCJLLKHOPMUOSD-SNGWPZLWSA-N 1 2 342.464 3.998 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000432865070 1039564732 /nfs/dbraw/zinc/56/47/32/1039564732.db2.gz HCJLLKHOPMUOSD-SNGWPZLWSA-N 1 2 342.464 3.998 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000064635755 1039577864 /nfs/dbraw/zinc/57/78/64/1039577864.db2.gz WAQXTXIZODZZOU-UHFFFAOYSA-N 1 2 348.384 3.837 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000064635755 1039577882 /nfs/dbraw/zinc/57/78/82/1039577882.db2.gz WAQXTXIZODZZOU-UHFFFAOYSA-N 1 2 348.384 3.837 20 0 EHADLO Cc1ccc(C)c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500846635 1039582667 /nfs/dbraw/zinc/58/26/67/1039582667.db2.gz PMHDZACUWXXISV-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(C)c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500846635 1039582688 /nfs/dbraw/zinc/58/26/88/1039582688.db2.gz PMHDZACUWXXISV-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO COc1cc2cc[nH+]c(N3CCC(c4c[nH]nc4C)CC3)c2cc1F ZINC000554685816 1039589740 /nfs/dbraw/zinc/58/97/40/1039589740.db2.gz QUVYQJJBBHMRQS-UHFFFAOYSA-N 1 2 340.402 3.798 20 0 EHADLO CCCC[N@H+](CCOC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645801676 1039627946 /nfs/dbraw/zinc/62/79/46/1039627946.db2.gz ATHQIWCENASIHR-UHFFFAOYSA-N 1 2 341.814 3.778 20 0 EHADLO CCCC[N@@H+](CCOC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645801676 1039627953 /nfs/dbraw/zinc/62/79/53/1039627953.db2.gz ATHQIWCENASIHR-UHFFFAOYSA-N 1 2 341.814 3.778 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485874003 1039651801 /nfs/dbraw/zinc/65/18/01/1039651801.db2.gz VXMJGFCZSVMBPV-SFHVURJKSA-N 1 2 335.513 3.815 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485874003 1039651814 /nfs/dbraw/zinc/65/18/14/1039651814.db2.gz VXMJGFCZSVMBPV-SFHVURJKSA-N 1 2 335.513 3.815 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3c(C)cc(C)cc3C2)c(F)c1 ZINC000485873600 1039651973 /nfs/dbraw/zinc/65/19/73/1039651973.db2.gz KYSUKPFFKCRFGR-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCc3c(C)cc(C)cc3C2)c(F)c1 ZINC000485873600 1039651983 /nfs/dbraw/zinc/65/19/83/1039651983.db2.gz KYSUKPFFKCRFGR-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)C2 ZINC000364075436 1039662968 /nfs/dbraw/zinc/66/29/68/1039662968.db2.gz STYJIKJATUQXHR-HLLBOEOZSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)CC2 ZINC000364075436 1039662980 /nfs/dbraw/zinc/66/29/80/1039662980.db2.gz STYJIKJATUQXHR-HLLBOEOZSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)n1cc[nH+]c1 ZINC000898902967 1039681310 /nfs/dbraw/zinc/68/13/10/1039681310.db2.gz XQWXRAKHTNGCCL-RTBURBONSA-N 1 2 333.435 3.691 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000480546860 1039684904 /nfs/dbraw/zinc/68/49/04/1039684904.db2.gz CKHIPLXGPJDCBY-GYOIFBIXSA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000480546860 1039684917 /nfs/dbraw/zinc/68/49/17/1039684917.db2.gz CKHIPLXGPJDCBY-GYOIFBIXSA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccn1 ZINC000347414679 1039717418 /nfs/dbraw/zinc/71/74/18/1039717418.db2.gz LDSIXZAKJIEODE-ZDUSSCGKSA-N 1 2 336.395 3.901 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000007878584 1039730847 /nfs/dbraw/zinc/73/08/47/1039730847.db2.gz LCKWAEZYWINOMT-RDTXWAMCSA-N 1 2 340.492 3.861 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000007878584 1039730863 /nfs/dbraw/zinc/73/08/63/1039730863.db2.gz LCKWAEZYWINOMT-RDTXWAMCSA-N 1 2 340.492 3.861 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC=CCCC1 ZINC000906762214 1039738528 /nfs/dbraw/zinc/73/85/28/1039738528.db2.gz SMSWJHMIKAESQJ-IBGZPJMESA-N 1 2 342.483 3.902 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000486042612 1039814906 /nfs/dbraw/zinc/81/49/06/1039814906.db2.gz QDLBDELDPCZJCR-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2c2cc(N3CCCC3)[nH+]cn2)c1 ZINC000553159142 1039840078 /nfs/dbraw/zinc/84/00/78/1039840078.db2.gz HACDQZAEEBPYKJ-YJBOKZPZSA-N 1 2 338.455 3.673 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2c2cc(N3CCCC3)nc[nH+]2)c1 ZINC000553159142 1039840106 /nfs/dbraw/zinc/84/01/06/1039840106.db2.gz HACDQZAEEBPYKJ-YJBOKZPZSA-N 1 2 338.455 3.673 20 0 EHADLO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)CS1 ZINC000554867957 1039855027 /nfs/dbraw/zinc/85/50/27/1039855027.db2.gz XAPZPQGMCQVNLT-CWRNSKLLSA-N 1 2 331.485 3.841 20 0 EHADLO CCCNC(=O)[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553326475 1039977876 /nfs/dbraw/zinc/97/78/76/1039977876.db2.gz GRVWFAYOTRSMQZ-ZDUSSCGKSA-N 1 2 331.847 3.631 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000371804100 1040004999 /nfs/dbraw/zinc/00/49/99/1040004999.db2.gz UQLDMWXFFNXPOH-LLVKDONJSA-N 1 2 326.263 3.879 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000371804100 1040005012 /nfs/dbraw/zinc/00/50/12/1040005012.db2.gz UQLDMWXFFNXPOH-LLVKDONJSA-N 1 2 326.263 3.879 20 0 EHADLO CCCCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1[C@@H](CC)[NH+](C)C ZINC000554969392 1040012892 /nfs/dbraw/zinc/01/28/92/1040012892.db2.gz MNEJVLCLFTYNBW-QLFBSQMISA-N 1 2 340.537 3.751 20 0 EHADLO CCC(C)(C)OCc1ccccc1NC(=O)CNc1cccc[nH+]1 ZINC000907357923 1040021482 /nfs/dbraw/zinc/02/14/82/1040021482.db2.gz DKHSNJVBHFXKNW-UHFFFAOYSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489552396 1040068211 /nfs/dbraw/zinc/06/82/11/1040068211.db2.gz WLTCYWMSYYPZKH-ZIFCJYIRSA-N 1 2 337.467 3.682 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccc(Cl)cc1 ZINC000894091150 1040069549 /nfs/dbraw/zinc/06/95/49/1040069549.db2.gz ZGBSOLNNFKHZDW-CYBMUJFWSA-N 1 2 328.243 3.513 20 0 EHADLO Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1OC(C)C ZINC000489577235 1040078183 /nfs/dbraw/zinc/07/81/83/1040078183.db2.gz LBTPGIXZZBLCGV-UHFFFAOYSA-N 1 2 342.443 3.801 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000667463546 1040106116 /nfs/dbraw/zinc/10/61/16/1040106116.db2.gz RJQUWHATRYZOID-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000667463546 1040106125 /nfs/dbraw/zinc/10/61/25/1040106125.db2.gz RJQUWHATRYZOID-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555077675 1040116970 /nfs/dbraw/zinc/11/69/70/1040116970.db2.gz YPYKRDUHPMVSQQ-CABZTGNLSA-N 1 2 343.761 3.765 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555077675 1040116976 /nfs/dbraw/zinc/11/69/76/1040116976.db2.gz YPYKRDUHPMVSQQ-CABZTGNLSA-N 1 2 343.761 3.765 20 0 EHADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555070694 1040125938 /nfs/dbraw/zinc/12/59/38/1040125938.db2.gz GLPDMZXHCPEUJE-IRXDYDNUSA-N 1 2 346.377 3.680 20 0 EHADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555070694 1040125945 /nfs/dbraw/zinc/12/59/45/1040125945.db2.gz GLPDMZXHCPEUJE-IRXDYDNUSA-N 1 2 346.377 3.680 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)Nc2ccnc3c2cnn3C)c(C)c1 ZINC000553509755 1040137581 /nfs/dbraw/zinc/13/75/81/1040137581.db2.gz GWPSCFNSDGZWIU-IBGZPJMESA-N 1 2 346.438 3.635 20 0 EHADLO CCCc1c(NC(=O)CNc2cccc[nH+]2)cnn1-c1ccc(C)cc1 ZINC000907753142 1040153344 /nfs/dbraw/zinc/15/33/44/1040153344.db2.gz KTOVEOQOABQMPF-UHFFFAOYSA-N 1 2 349.438 3.579 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc3c(F)cccc3c2)[C@H](c2ccccc2)C1 ZINC000429841451 1040160178 /nfs/dbraw/zinc/16/01/78/1040160178.db2.gz QNNDKYVCRFIQNP-IBGZPJMESA-N 1 2 349.409 3.503 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc3c(F)cccc3c2)[C@H](c2ccccc2)C1 ZINC000429841451 1040160192 /nfs/dbraw/zinc/16/01/92/1040160192.db2.gz QNNDKYVCRFIQNP-IBGZPJMESA-N 1 2 349.409 3.503 20 0 EHADLO CCCc1c(NC(=O)CNc2cccc[nH+]2)cnn1-c1cccc(C)c1 ZINC000907791145 1040171757 /nfs/dbraw/zinc/17/17/57/1040171757.db2.gz QBBKFRDPOUXMGN-UHFFFAOYSA-N 1 2 349.438 3.579 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000432918331 1040175947 /nfs/dbraw/zinc/17/59/47/1040175947.db2.gz OMCKLAOHBVXWFM-NJZAAPMLSA-N 1 2 329.362 3.883 20 0 EHADLO CN(C)C(=O)CC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432922146 1040181016 /nfs/dbraw/zinc/18/10/16/1040181016.db2.gz KETPIDODPVYGBW-UHFFFAOYSA-N 1 2 335.300 3.745 20 0 EHADLO C[C@H]1c2sccc2CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000899223065 1040202640 /nfs/dbraw/zinc/20/26/40/1040202640.db2.gz WJZHGTXKBIGBLV-AWEZNQCLSA-N 1 2 337.448 3.622 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051966043 1040202949 /nfs/dbraw/zinc/20/29/49/1040202949.db2.gz NDVPZKQZFNQNFO-UHFFFAOYSA-N 1 2 326.440 3.601 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051966043 1040202959 /nfs/dbraw/zinc/20/29/59/1040202959.db2.gz NDVPZKQZFNQNFO-UHFFFAOYSA-N 1 2 326.440 3.601 20 0 EHADLO CC(C)N(CC1CC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893318764 1040216684 /nfs/dbraw/zinc/21/66/84/1040216684.db2.gz OVXGXVONYWZHST-GOSISDBHSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cc4c(cccc4C)[nH]3)CC2)cs1 ZINC000667492549 1040264887 /nfs/dbraw/zinc/26/48/87/1040264887.db2.gz MSWPWAZZQJXCRZ-UHFFFAOYSA-N 1 2 340.496 3.559 20 0 EHADLO O=C(CCn1cccc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000644965678 1040286377 /nfs/dbraw/zinc/28/63/77/1040286377.db2.gz ZGLZSWMYXLDYJD-UHFFFAOYSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1cc(N2CCCCCC2)ccc1NC(=O)CNc1cccc[nH+]1 ZINC000908134715 1040308301 /nfs/dbraw/zinc/30/83/01/1040308301.db2.gz DOYWMPFWDVLEPH-UHFFFAOYSA-N 1 2 338.455 3.821 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](CCOC)[C@H]3CCOC3)cs2)cc1 ZINC000490057077 1040327566 /nfs/dbraw/zinc/32/75/66/1040327566.db2.gz SOQKPAYYJJSHDA-SFHVURJKSA-N 1 2 346.496 3.610 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](CCOC)[C@H]3CCOC3)cs2)cc1 ZINC000490057077 1040327585 /nfs/dbraw/zinc/32/75/85/1040327585.db2.gz SOQKPAYYJJSHDA-SFHVURJKSA-N 1 2 346.496 3.610 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1cccc(CO)c1 ZINC000479548944 1040357534 /nfs/dbraw/zinc/35/75/34/1040357534.db2.gz YFJDFBWJSFVNNU-BZNIZROVSA-N 1 2 340.250 3.870 20 0 EHADLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)c(F)c1F ZINC000667511089 1040358750 /nfs/dbraw/zinc/35/87/50/1040358750.db2.gz BVJXGIIUNAZCEL-UHFFFAOYSA-N 1 2 348.368 3.628 20 0 EHADLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)c(F)c1F ZINC000667511089 1040358766 /nfs/dbraw/zinc/35/87/66/1040358766.db2.gz BVJXGIIUNAZCEL-UHFFFAOYSA-N 1 2 348.368 3.628 20 0 EHADLO COc1ccc2c(c1OC)CC[N@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000481119923 1040378799 /nfs/dbraw/zinc/37/87/99/1040378799.db2.gz RWSLMRONIMHIQR-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO COc1ccc2c(c1OC)CC[N@@H+]([C@@H](C)c1nc3ccccc3o1)C2 ZINC000481119923 1040378826 /nfs/dbraw/zinc/37/88/26/1040378826.db2.gz RWSLMRONIMHIQR-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000667514749 1040379785 /nfs/dbraw/zinc/37/97/85/1040379785.db2.gz JOFMRLOOJPTCPH-RTBURBONSA-N 1 2 337.467 3.538 20 0 EHADLO OC1CCN(c2ccc([NH2+][C@@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000894103457 1040381598 /nfs/dbraw/zinc/38/15/98/1040381598.db2.gz YCMFGUFFKCTJMC-GOSISDBHSA-N 1 2 344.499 3.942 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000894103457 1040381612 /nfs/dbraw/zinc/38/16/12/1040381612.db2.gz YCMFGUFFKCTJMC-GOSISDBHSA-N 1 2 344.499 3.942 20 0 EHADLO CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000511647984 1040388890 /nfs/dbraw/zinc/38/88/90/1040388890.db2.gz LKFWBXUGKGUTEJ-UHFFFAOYSA-N 1 2 346.471 3.999 20 0 EHADLO CCn1cncc1C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000418038412 1040487165 /nfs/dbraw/zinc/48/71/65/1040487165.db2.gz FJQVVXNOULJWON-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1cncc1C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000418038412 1040487174 /nfs/dbraw/zinc/48/71/74/1040487174.db2.gz FJQVVXNOULJWON-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO C[N@H+](CCc1ccc(F)cc1)Cc1c(F)cncc1Br ZINC000667533812 1040492857 /nfs/dbraw/zinc/49/28/57/1040492857.db2.gz BFUVCZGKGPCUNU-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1ccc(F)cc1)Cc1c(F)cncc1Br ZINC000667533812 1040492871 /nfs/dbraw/zinc/49/28/71/1040492871.db2.gz BFUVCZGKGPCUNU-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028935 1040501876 /nfs/dbraw/zinc/50/18/76/1040501876.db2.gz QNFCGDYMZXIQAG-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028935 1040501895 /nfs/dbraw/zinc/50/18/95/1040501895.db2.gz QNFCGDYMZXIQAG-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000553828818 1040510222 /nfs/dbraw/zinc/51/02/22/1040510222.db2.gz NMANILCITIFAGF-ONGXEEELSA-N 1 2 335.860 3.738 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152181364 1040524856 /nfs/dbraw/zinc/52/48/56/1040524856.db2.gz BMKWVDWIKJVODL-GOEBONIOSA-N 1 2 343.496 3.823 20 0 EHADLO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3cnoc3C)n2)c1 ZINC000364234379 1040528613 /nfs/dbraw/zinc/52/86/13/1040528613.db2.gz KTNRYECHWYAYRG-SFHVURJKSA-N 1 2 338.411 3.719 20 0 EHADLO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3cnoc3C)n2)c1 ZINC000364234379 1040528630 /nfs/dbraw/zinc/52/86/30/1040528630.db2.gz KTNRYECHWYAYRG-SFHVURJKSA-N 1 2 338.411 3.719 20 0 EHADLO CC(C)=CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479727854 1040559466 /nfs/dbraw/zinc/55/94/66/1040559466.db2.gz CQBHMOUQKSTTJX-LJQANCHMSA-N 1 2 340.471 3.897 20 0 EHADLO Oc1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1Br ZINC000418097937 1040578905 /nfs/dbraw/zinc/57/89/05/1040578905.db2.gz AHSQVMCTRALHBT-CQSZACIVSA-N 1 2 334.213 3.516 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000667553478 1040588218 /nfs/dbraw/zinc/58/82/18/1040588218.db2.gz RGDKNMZOYJTSIL-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364263416 1040617700 /nfs/dbraw/zinc/61/77/00/1040617700.db2.gz QCLJOMDGARGLLV-UHFFFAOYSA-N 1 2 336.501 3.572 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364263416 1040617713 /nfs/dbraw/zinc/61/77/13/1040617713.db2.gz QCLJOMDGARGLLV-UHFFFAOYSA-N 1 2 336.501 3.572 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000481292225 1040640597 /nfs/dbraw/zinc/64/05/97/1040640597.db2.gz YSVJVFAWYYMNDZ-HXUWFJFHSA-N 1 2 338.451 3.796 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000481292225 1040640600 /nfs/dbraw/zinc/64/06/00/1040640600.db2.gz YSVJVFAWYYMNDZ-HXUWFJFHSA-N 1 2 338.451 3.796 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000247995431 1040677457 /nfs/dbraw/zinc/67/74/57/1040677457.db2.gz CWTTWCNZZIFTDI-UHFFFAOYSA-N 1 2 348.472 3.801 20 0 EHADLO Cn1ncc(Br)c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000278830780 1040681085 /nfs/dbraw/zinc/68/10/85/1040681085.db2.gz YRKYOUMPLPLBJB-UHFFFAOYSA-N 1 2 340.290 3.624 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)c1c(F)cccc1F ZINC000759787896 1040704435 /nfs/dbraw/zinc/70/44/35/1040704435.db2.gz NOCACKMAGPEUPB-GFCCVEGCSA-N 1 2 328.403 3.872 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)c1c(F)cccc1F ZINC000759787896 1040704440 /nfs/dbraw/zinc/70/44/40/1040704440.db2.gz NOCACKMAGPEUPB-GFCCVEGCSA-N 1 2 328.403 3.872 20 0 EHADLO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C)C1CC(F)(F)C1 ZINC000600136118 1040706399 /nfs/dbraw/zinc/70/63/99/1040706399.db2.gz PVOFHJTUSHFZEL-XJKSGUPXSA-N 1 2 339.426 3.963 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1O ZINC000311129267 1040710748 /nfs/dbraw/zinc/71/07/48/1040710748.db2.gz QMIVXLZLANMWTC-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1O ZINC000311129267 1040710759 /nfs/dbraw/zinc/71/07/59/1040710759.db2.gz QMIVXLZLANMWTC-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364295584 1040716788 /nfs/dbraw/zinc/71/67/88/1040716788.db2.gz AJWIYPIHKMERBJ-UHFFFAOYSA-N 1 2 328.416 3.610 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364295584 1040716794 /nfs/dbraw/zinc/71/67/94/1040716794.db2.gz AJWIYPIHKMERBJ-UHFFFAOYSA-N 1 2 328.416 3.610 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000500209086 1040725012 /nfs/dbraw/zinc/72/50/12/1040725012.db2.gz XFKDKAMSKDGWNN-HOTGVXAUSA-N 1 2 332.492 3.788 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248367375 1040740337 /nfs/dbraw/zinc/74/03/37/1040740337.db2.gz TYSRVLIJPFOSHX-WOPDTQHZSA-N 1 2 325.250 3.506 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248367375 1040740349 /nfs/dbraw/zinc/74/03/49/1040740349.db2.gz TYSRVLIJPFOSHX-WOPDTQHZSA-N 1 2 325.250 3.506 20 0 EHADLO CC(C)(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000490897157 1040810044 /nfs/dbraw/zinc/81/00/44/1040810044.db2.gz NFYSVDJEBGDWNE-UHFFFAOYSA-N 1 2 326.444 3.604 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000490916361 1040818107 /nfs/dbraw/zinc/81/81/07/1040818107.db2.gz GAUQVBMZLDQBPL-PXAZEXFGSA-N 1 2 346.862 3.749 20 0 EHADLO CC(C)C[C@H](c1nc(-c2coc(C3CCC3)n2)no1)n1cc[nH+]c1 ZINC000924152275 1040832517 /nfs/dbraw/zinc/83/25/17/1040832517.db2.gz GLQBAKUOFFWMPA-CQSZACIVSA-N 1 2 327.388 3.824 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)[nH]1 ZINC000660372770 1040838926 /nfs/dbraw/zinc/83/89/26/1040838926.db2.gz YBUJHUNDUKJYNO-CYBMUJFWSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000491118667 1040931537 /nfs/dbraw/zinc/93/15/37/1040931537.db2.gz UKFSYSTYIXXOHZ-DZGCQCFKSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000491118667 1040931556 /nfs/dbraw/zinc/93/15/56/1040931556.db2.gz UKFSYSTYIXXOHZ-DZGCQCFKSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCc4c3cccc4Cl)[nH+]c12 ZINC000586755064 1040999383 /nfs/dbraw/zinc/99/93/83/1040999383.db2.gz XVCCDDSHGZRQMT-QGZVFWFLSA-N 1 2 339.826 3.642 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1nn(C)cc1Br ZINC000433180263 1041009412 /nfs/dbraw/zinc/00/94/12/1041009412.db2.gz IXOVNZGYRFMOTE-ZFWWWQNUSA-N 1 2 348.288 3.951 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nn(C)cc1Br ZINC000433180263 1041009425 /nfs/dbraw/zinc/00/94/25/1041009425.db2.gz IXOVNZGYRFMOTE-ZFWWWQNUSA-N 1 2 348.288 3.951 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842322 1041090097 /nfs/dbraw/zinc/09/00/97/1041090097.db2.gz BRCUFRKXDWMIHL-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842322 1041090116 /nfs/dbraw/zinc/09/01/16/1041090116.db2.gz BRCUFRKXDWMIHL-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1 ZINC000433211493 1041100549 /nfs/dbraw/zinc/10/05/49/1041100549.db2.gz ZCXNZGKXLLAHEO-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1 ZINC000433211493 1041100564 /nfs/dbraw/zinc/10/05/64/1041100564.db2.gz ZCXNZGKXLLAHEO-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2ncsc2c1 ZINC000193643458 1041101232 /nfs/dbraw/zinc/10/12/32/1041101232.db2.gz MHAXWRCXPDRXJY-UHFFFAOYSA-N 1 2 349.419 3.804 20 0 EHADLO COCc1cc[nH+]c(NC2CCN(c3ccc(F)cc3F)CC2)c1 ZINC000652068387 1041105787 /nfs/dbraw/zinc/10/57/87/1041105787.db2.gz CKQKYNATQKDLKR-UHFFFAOYSA-N 1 2 333.382 3.587 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nc(C)oc1C ZINC000660392919 1041121835 /nfs/dbraw/zinc/12/18/35/1041121835.db2.gz UEIUUTFYSGWAML-SECBINFHSA-N 1 2 339.233 3.913 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000509828287 1041128623 /nfs/dbraw/zinc/12/86/23/1041128623.db2.gz SPKDDYWUJKGLIT-IXDOHACOSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)N(Cc1ccccc1F)C(=O)NCCCNc1cccc[nH+]1 ZINC000509827774 1041129006 /nfs/dbraw/zinc/12/90/06/1041129006.db2.gz NQHFPAHRZTUIAQ-UHFFFAOYSA-N 1 2 344.434 3.643 20 0 EHADLO O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000487844597 1041129095 /nfs/dbraw/zinc/12/90/95/1041129095.db2.gz WCFQZNNXKAFBEA-IBGZPJMESA-N 1 2 349.459 3.633 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000570932285 1041137924 /nfs/dbraw/zinc/13/79/24/1041137924.db2.gz KQWSIMICCUAFLR-CQSZACIVSA-N 1 2 332.492 3.543 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)C2 ZINC000571041408 1041156590 /nfs/dbraw/zinc/15/65/90/1041156590.db2.gz CDDBXBKMQRVTBU-FXUDXRNXSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)CC2 ZINC000571041408 1041156599 /nfs/dbraw/zinc/15/65/99/1041156599.db2.gz CDDBXBKMQRVTBU-FXUDXRNXSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000500920916 1041202768 /nfs/dbraw/zinc/20/27/68/1041202768.db2.gz DVCXSDQYKAELIU-INIZCTEOSA-N 1 2 329.444 3.816 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000500920916 1041202777 /nfs/dbraw/zinc/20/27/77/1041202777.db2.gz DVCXSDQYKAELIU-INIZCTEOSA-N 1 2 329.444 3.816 20 0 EHADLO CCC[C@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000600429072 1041204764 /nfs/dbraw/zinc/20/47/64/1041204764.db2.gz OZCUXOUQFATGQI-GJZGRUSLSA-N 1 2 338.442 3.872 20 0 EHADLO CCC[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000600429072 1041204783 /nfs/dbraw/zinc/20/47/83/1041204783.db2.gz OZCUXOUQFATGQI-GJZGRUSLSA-N 1 2 338.442 3.872 20 0 EHADLO CCC[N@H+](Cc1conc1CC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660431074 1041303540 /nfs/dbraw/zinc/30/35/40/1041303540.db2.gz HWAKBRODLZOSDY-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1conc1CC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660431074 1041303554 /nfs/dbraw/zinc/30/35/54/1041303554.db2.gz HWAKBRODLZOSDY-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO C[C@]12CC[N@H+](Cc3csc(Nc4ccccc4)n3)C[C@H]1C2(F)F ZINC000428748505 1041350835 /nfs/dbraw/zinc/35/08/35/1041350835.db2.gz GBKDMLGVAYWKQU-ZBFHGGJFSA-N 1 2 335.423 3.786 20 0 EHADLO C[C@]12CC[N@@H+](Cc3csc(Nc4ccccc4)n3)C[C@H]1C2(F)F ZINC000428748505 1041350846 /nfs/dbraw/zinc/35/08/46/1041350846.db2.gz GBKDMLGVAYWKQU-ZBFHGGJFSA-N 1 2 335.423 3.786 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)c2C)cc1 ZINC000428753724 1041356138 /nfs/dbraw/zinc/35/61/38/1041356138.db2.gz RGLPDOOUABELPJ-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)c2C)cc1 ZINC000428753724 1041356145 /nfs/dbraw/zinc/35/61/45/1041356145.db2.gz RGLPDOOUABELPJ-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021192 1041478390 /nfs/dbraw/zinc/47/83/90/1041478390.db2.gz UPEPGSFEJINXSF-KDOFPFPSSA-N 1 2 336.426 3.893 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432021192 1041478394 /nfs/dbraw/zinc/47/83/94/1041478394.db2.gz UPEPGSFEJINXSF-KDOFPFPSSA-N 1 2 336.426 3.893 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)cs1 ZINC000111375753 1041547715 /nfs/dbraw/zinc/54/77/15/1041547715.db2.gz HGPOLWHAYSINGR-CHWSQXEVSA-N 1 2 347.484 3.700 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCn2cccn2)cc1 ZINC000111283252 1041553030 /nfs/dbraw/zinc/55/30/30/1041553030.db2.gz KPEHURNOYXDVPY-FQEVSTJZSA-N 1 2 348.450 3.503 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCn2cccn2)cc1 ZINC000111283252 1041553038 /nfs/dbraw/zinc/55/30/38/1041553038.db2.gz KPEHURNOYXDVPY-FQEVSTJZSA-N 1 2 348.450 3.503 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000047264819 1041599584 /nfs/dbraw/zinc/59/95/84/1041599584.db2.gz BRARYDMZFQUAQH-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000047264819 1041599589 /nfs/dbraw/zinc/59/95/89/1041599589.db2.gz BRARYDMZFQUAQH-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000432160375 1041670876 /nfs/dbraw/zinc/67/08/76/1041670876.db2.gz CJWZVFUCOUIPKA-UHFFFAOYSA-N 1 2 332.492 3.761 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(Cl)nc(Cl)c1 ZINC000124450617 1041713580 /nfs/dbraw/zinc/71/35/80/1041713580.db2.gz DIWNKNALOOEZCL-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710577 1041781722 /nfs/dbraw/zinc/78/17/22/1041781722.db2.gz VJPOKAPCLZWOEQ-MLGOLLRUSA-N 1 2 348.878 3.609 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710577 1041781729 /nfs/dbraw/zinc/78/17/29/1041781729.db2.gz VJPOKAPCLZWOEQ-MLGOLLRUSA-N 1 2 348.878 3.609 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000178399323 1041807420 /nfs/dbraw/zinc/80/74/20/1041807420.db2.gz LNPIAEQITLGAES-OALUTQOASA-N 1 2 329.440 3.557 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000178399323 1041807425 /nfs/dbraw/zinc/80/74/25/1041807425.db2.gz LNPIAEQITLGAES-OALUTQOASA-N 1 2 329.440 3.557 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000651648990 1041845692 /nfs/dbraw/zinc/84/56/92/1041845692.db2.gz NSUOEOPSFPORTP-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000651648990 1041845695 /nfs/dbraw/zinc/84/56/95/1041845695.db2.gz NSUOEOPSFPORTP-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533513 1041863307 /nfs/dbraw/zinc/86/33/07/1041863307.db2.gz QEPBSBHTKLZGNH-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO Brc1nc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cs1 ZINC001137581980 1041903856 /nfs/dbraw/zinc/90/38/56/1041903856.db2.gz LLIMUJIBCFNHAT-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1nc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cs1 ZINC001137581980 1041903861 /nfs/dbraw/zinc/90/38/61/1041903861.db2.gz LLIMUJIBCFNHAT-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1C ZINC000044568631 1041952082 /nfs/dbraw/zinc/95/20/82/1041952082.db2.gz VKQUDZAPXLKJAJ-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO CC1(C)C[C@H]([N@H+](Cc2cc3n(n2)CCCC3)Cc2ccccc2)CO1 ZINC000661195785 1041998974 /nfs/dbraw/zinc/99/89/74/1041998974.db2.gz MRYJIOCITZGSMO-FQEVSTJZSA-N 1 2 339.483 3.789 20 0 EHADLO CC1(C)C[C@H]([N@@H+](Cc2cc3n(n2)CCCC3)Cc2ccccc2)CO1 ZINC000661195785 1041998977 /nfs/dbraw/zinc/99/89/77/1041998977.db2.gz MRYJIOCITZGSMO-FQEVSTJZSA-N 1 2 339.483 3.789 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000661425051 1042114409 /nfs/dbraw/zinc/11/44/09/1042114409.db2.gz ROYDOIGDTGKWQZ-GOEBONIOSA-N 1 2 331.485 3.697 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c(C)[nH+]1 ZINC001126085238 1042121328 /nfs/dbraw/zinc/12/13/28/1042121328.db2.gz WSFZFYCSNDZCRS-IBGZPJMESA-N 1 2 337.467 3.748 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514990 1042160885 /nfs/dbraw/zinc/16/08/85/1042160885.db2.gz XEJLNFYMYOUAJO-IBGZPJMESA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514990 1042160889 /nfs/dbraw/zinc/16/08/89/1042160889.db2.gz XEJLNFYMYOUAJO-IBGZPJMESA-N 1 2 326.415 3.540 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509949 1042163931 /nfs/dbraw/zinc/16/39/31/1042163931.db2.gz FFMXFLPPICCMGM-IFXJQAMLSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509949 1042163936 /nfs/dbraw/zinc/16/39/36/1042163936.db2.gz FFMXFLPPICCMGM-IFXJQAMLSA-N 1 2 344.405 3.931 20 0 EHADLO CCN(Cc1cccs1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890129 1042211981 /nfs/dbraw/zinc/21/19/81/1042211981.db2.gz BDAXFMSYUGGGNY-UHFFFAOYSA-N 1 2 340.452 3.666 20 0 EHADLO CCc1cc(N[C@@H](Cc2nc(C)no2)c2ccccc2)nc(CC)[nH+]1 ZINC000893490407 1042263984 /nfs/dbraw/zinc/26/39/84/1042263984.db2.gz ADRZQAOLAGQIPH-INIZCTEOSA-N 1 2 337.427 3.689 20 0 EHADLO CC(C)C[C@H]1COCC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000893494893 1042274437 /nfs/dbraw/zinc/27/44/37/1042274437.db2.gz UVEWYVBIZWUSKF-OALUTQOASA-N 1 2 342.439 3.539 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652241910 1042286192 /nfs/dbraw/zinc/28/61/92/1042286192.db2.gz GJGBMTMTWMYLTJ-MDZRGWNJSA-N 1 2 337.467 3.555 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cn1 ZINC000661736240 1042292201 /nfs/dbraw/zinc/29/22/01/1042292201.db2.gz NRKMOMQIQJJRPA-SFHVURJKSA-N 1 2 343.446 3.639 20 0 EHADLO CN(C)c1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cn1 ZINC000661736240 1042292206 /nfs/dbraw/zinc/29/22/06/1042292206.db2.gz NRKMOMQIQJJRPA-SFHVURJKSA-N 1 2 343.446 3.639 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccn1 ZINC000048273186 1042298282 /nfs/dbraw/zinc/29/82/82/1042298282.db2.gz LYXXZVAWMBWGEC-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccn1 ZINC000048273186 1042298289 /nfs/dbraw/zinc/29/82/89/1042298289.db2.gz LYXXZVAWMBWGEC-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661955239 1042430541 /nfs/dbraw/zinc/43/05/41/1042430541.db2.gz DEODYDUDCYRIBL-OAHLLOKOSA-N 1 2 339.439 3.557 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000661970503 1042437150 /nfs/dbraw/zinc/43/71/50/1042437150.db2.gz FCDATUMNWHMYLN-IUCAKERBSA-N 1 2 333.646 3.927 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000661970503 1042437151 /nfs/dbraw/zinc/43/71/51/1042437151.db2.gz FCDATUMNWHMYLN-IUCAKERBSA-N 1 2 333.646 3.927 20 0 EHADLO Fc1cccc(-c2cnc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)o2)c1 ZINC000661997495 1042455781 /nfs/dbraw/zinc/45/57/81/1042455781.db2.gz WHNVWBSTTRSVHT-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1cccc(-c2cnc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)o2)c1 ZINC000661997495 1042455786 /nfs/dbraw/zinc/45/57/86/1042455786.db2.gz WHNVWBSTTRSVHT-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO CC(C)[C@H]1N(C(=O)Cc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000652433556 1042472581 /nfs/dbraw/zinc/47/25/81/1042472581.db2.gz UQHVGQWTZQALTG-LJQANCHMSA-N 1 2 329.488 3.579 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccsc1)c1nc(C(C)(C)C)no1 ZINC000583475504 1042598259 /nfs/dbraw/zinc/59/82/59/1042598259.db2.gz WOBLHHQPUSAKRS-SNVBAGLBSA-N 1 2 331.445 3.670 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245880 1042629715 /nfs/dbraw/zinc/62/97/15/1042629715.db2.gz VGBRBYHEALHHMX-OAHLLOKOSA-N 1 2 344.528 3.962 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245880 1042629719 /nfs/dbraw/zinc/62/97/19/1042629719.db2.gz VGBRBYHEALHHMX-OAHLLOKOSA-N 1 2 344.528 3.962 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)CC1=CCSC1 ZINC000662268809 1042644077 /nfs/dbraw/zinc/64/40/77/1042644077.db2.gz MBMDTZIYATYUPV-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)CC1=CCSC1 ZINC000662268809 1042644079 /nfs/dbraw/zinc/64/40/79/1042644079.db2.gz MBMDTZIYATYUPV-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@H+](CC/C=C/c1cccnc1)Cc1csc(Br)n1 ZINC001137584201 1042649358 /nfs/dbraw/zinc/64/93/58/1042649358.db2.gz JHGPWJBYFLDSTE-GORDUTHDSA-N 1 2 338.274 3.836 20 0 EHADLO C[N@@H+](CC/C=C/c1cccnc1)Cc1csc(Br)n1 ZINC001137584201 1042649359 /nfs/dbraw/zinc/64/93/59/1042649359.db2.gz JHGPWJBYFLDSTE-GORDUTHDSA-N 1 2 338.274 3.836 20 0 EHADLO c1nnc([C@H]([NH2+]C2CC(Sc3ccccc3)C2)c2ccccc2)[nH]1 ZINC000893560055 1042649913 /nfs/dbraw/zinc/64/99/13/1042649913.db2.gz VPKKUGFPJNKLAQ-VMWRSERWSA-N 1 2 336.464 3.807 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C)c1ccc(F)cc1 ZINC000662290210 1042660982 /nfs/dbraw/zinc/66/09/82/1042660982.db2.gz NNUVLJBVELSDJH-KFWWJZLASA-N 1 2 326.415 3.968 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C)c1ccc(F)cc1 ZINC000662290210 1042660985 /nfs/dbraw/zinc/66/09/85/1042660985.db2.gz NNUVLJBVELSDJH-KFWWJZLASA-N 1 2 326.415 3.968 20 0 EHADLO CCn1nccc1C[NH2+]Cc1oc2ccccc2c1Br ZINC000663349931 1042736129 /nfs/dbraw/zinc/73/61/29/1042736129.db2.gz VHOPORUBYYWQIC-UHFFFAOYSA-N 1 2 334.217 3.702 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000343899115 1042753392 /nfs/dbraw/zinc/75/33/92/1042753392.db2.gz HFUBADGAAHXCPA-MRXNPFEDSA-N 1 2 347.418 3.619 20 0 EHADLO COc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1OC(F)F ZINC000121781509 1042813087 /nfs/dbraw/zinc/81/30/87/1042813087.db2.gz FWNPCSAFKXMVCN-UHFFFAOYSA-N 1 2 349.381 3.904 20 0 EHADLO C=CCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066965376 1042890919 /nfs/dbraw/zinc/89/09/19/1042890919.db2.gz VXKHCBDHTJWQRS-UHFFFAOYSA-N 1 2 348.406 3.759 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)OCC3(C)C)o2)cc1 ZINC000604390503 1042934272 /nfs/dbraw/zinc/93/42/72/1042934272.db2.gz XZMVNGPYSZJDCO-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)OCC3(C)C)o2)cc1 ZINC000604390503 1042934275 /nfs/dbraw/zinc/93/42/75/1042934275.db2.gz XZMVNGPYSZJDCO-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000278927103 1042970620 /nfs/dbraw/zinc/97/06/20/1042970620.db2.gz MGMNTWZQKUQYGB-SNVBAGLBSA-N 1 2 349.422 3.509 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3cc(C)ccc3Cl)cc2[nH+]1 ZINC000010895565 1043025118 /nfs/dbraw/zinc/02/51/18/1043025118.db2.gz UBSOTTZMPRKCBL-UHFFFAOYSA-N 1 2 329.787 3.851 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)[S@@]1=O ZINC000348553503 1043102800 /nfs/dbraw/zinc/10/28/00/1043102800.db2.gz XGICKXLMMKBFNS-KNUWZQJKSA-N 1 2 335.513 3.522 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)[S@@]1=O ZINC000348553503 1043102808 /nfs/dbraw/zinc/10/28/08/1043102808.db2.gz XGICKXLMMKBFNS-KNUWZQJKSA-N 1 2 335.513 3.522 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000279009456 1043184903 /nfs/dbraw/zinc/18/49/03/1043184903.db2.gz KTOXBRJOMRQQAP-IRXDYDNUSA-N 1 2 343.471 3.618 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)N1CCCCCC1 ZINC000279014639 1043200001 /nfs/dbraw/zinc/20/00/01/1043200001.db2.gz VIKIDRXAQNAHCJ-GHMZBOCLSA-N 1 2 349.422 3.604 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000279021106 1043203050 /nfs/dbraw/zinc/20/30/50/1043203050.db2.gz BZTOPCYBSPIAOS-OAHLLOKOSA-N 1 2 348.878 3.633 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000279021106 1043203059 /nfs/dbraw/zinc/20/30/59/1043203059.db2.gz BZTOPCYBSPIAOS-OAHLLOKOSA-N 1 2 348.878 3.633 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000279044779 1043247793 /nfs/dbraw/zinc/24/77/93/1043247793.db2.gz XXPFJLQOIBWJHW-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000344115103 1043278369 /nfs/dbraw/zinc/27/83/69/1043278369.db2.gz YLQHJLDDFVDRSH-FQEVSTJZSA-N 1 2 338.451 3.825 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000344115103 1043278377 /nfs/dbraw/zinc/27/83/77/1043278377.db2.gz YLQHJLDDFVDRSH-FQEVSTJZSA-N 1 2 338.451 3.825 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000512118030 1043299114 /nfs/dbraw/zinc/29/91/14/1043299114.db2.gz FDAFEPWNKBDJOB-SJLPKXTDSA-N 1 2 344.503 3.697 20 0 EHADLO CCCn1ncnc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000279066968 1043299900 /nfs/dbraw/zinc/29/99/00/1043299900.db2.gz JNYQZTVCZQITDM-UHFFFAOYSA-N 1 2 325.243 3.774 20 0 EHADLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000014980656 1043375452 /nfs/dbraw/zinc/37/54/52/1043375452.db2.gz MBLJOTBIRVLJFD-NSHDSACASA-N 1 2 343.408 3.720 20 0 EHADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000014980656 1043375466 /nfs/dbraw/zinc/37/54/66/1043375466.db2.gz MBLJOTBIRVLJFD-NSHDSACASA-N 1 2 343.408 3.720 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279169260 1043493370 /nfs/dbraw/zinc/49/33/70/1043493370.db2.gz GVAHRRICHYSTHC-UHFFFAOYSA-N 1 2 341.333 3.789 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(Br)c1)c1c(F)cccc1F ZINC000344323180 1043663618 /nfs/dbraw/zinc/66/36/18/1043663618.db2.gz ZEXHONMDGDPOME-AWEZNQCLSA-N 1 2 342.183 3.551 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCc3cccc(F)c3)ccc2[nH+]1 ZINC000606569674 1043664420 /nfs/dbraw/zinc/66/44/20/1043664420.db2.gz NQJCSHXDEXGWBN-UHFFFAOYSA-N 1 2 326.375 3.536 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001143529928 1043680768 /nfs/dbraw/zinc/68/07/68/1043680768.db2.gz IKBLZWVORAQPFT-FQEVSTJZSA-N 1 2 329.415 3.890 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001143529928 1043680780 /nfs/dbraw/zinc/68/07/80/1043680780.db2.gz IKBLZWVORAQPFT-FQEVSTJZSA-N 1 2 329.415 3.890 20 0 EHADLO CC(C)([NH2+]Cc1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000163186361 1043922397 /nfs/dbraw/zinc/92/23/97/1043922397.db2.gz XDDIEGMXISDGOA-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2C(C)(C)C2(C)C)C[C@H](C)O1 ZINC000344504303 1044080560 /nfs/dbraw/zinc/08/05/60/1044080560.db2.gz VKKRJTBUZNTXOV-GASCZTMLSA-N 1 2 344.499 3.917 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2C(C)(C)C2(C)C)C[C@H](C)O1 ZINC000344504303 1044080579 /nfs/dbraw/zinc/08/05/79/1044080579.db2.gz VKKRJTBUZNTXOV-GASCZTMLSA-N 1 2 344.499 3.917 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Br)c(F)c2)s1 ZINC000344628705 1044213589 /nfs/dbraw/zinc/21/35/89/1044213589.db2.gz IFPFFZDDWLDSKS-UHFFFAOYSA-N 1 2 344.253 3.853 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000344705725 1044315054 /nfs/dbraw/zinc/31/50/54/1044315054.db2.gz DROQQBCWLPCAOU-KRWDZBQOSA-N 1 2 348.450 3.746 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000279739717 1044513624 /nfs/dbraw/zinc/51/36/24/1044513624.db2.gz DKEGTOKXGXEINU-UONOGXRCSA-N 1 2 333.863 3.657 20 0 EHADLO CCC1(CC)CN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CCS1 ZINC000344846746 1044524160 /nfs/dbraw/zinc/52/41/60/1044524160.db2.gz CFSOTRKXKSTPDA-UHFFFAOYSA-N 1 2 343.496 3.929 20 0 EHADLO CCCCc1nc(C)c(CC(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000888939311 1044622425 /nfs/dbraw/zinc/62/24/25/1044622425.db2.gz KEZVRVDWWCIXAT-UHFFFAOYSA-N 1 2 328.441 3.623 20 0 EHADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C(F)F)c1 ZINC000279784252 1044662640 /nfs/dbraw/zinc/66/26/40/1044662640.db2.gz USIWJCSPDGENGJ-UHFFFAOYSA-N 1 2 339.407 3.660 20 0 EHADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C(F)F)c1 ZINC000279784252 1044662650 /nfs/dbraw/zinc/66/26/50/1044662650.db2.gz USIWJCSPDGENGJ-UHFFFAOYSA-N 1 2 339.407 3.660 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cscn1)c1cccc(Br)c1 ZINC000866596757 1137367945 /nfs/dbraw/zinc/36/79/45/1137367945.db2.gz JIUUJTLOXFJLCC-GWCFXTLKSA-N 1 2 341.274 3.944 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000620368550 1125557622 /nfs/dbraw/zinc/55/76/22/1125557622.db2.gz OBMIDYVBFMCWDN-INIZCTEOSA-N 1 2 325.456 3.878 20 0 EHADLO CC(C)(C)C(F)(F)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620613940 1125609301 /nfs/dbraw/zinc/60/93/01/1125609301.db2.gz ZKXGIHPTSJOCHF-CQSZACIVSA-N 1 2 335.398 3.729 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cccnc1 ZINC000620645471 1125619858 /nfs/dbraw/zinc/61/98/58/1125619858.db2.gz KLOGNJHHKXMMIQ-SNVBAGLBSA-N 1 2 348.328 3.600 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cc1nc(N)c2ccccc2n1 ZINC000154019682 1125685268 /nfs/dbraw/zinc/68/52/68/1125685268.db2.gz AXCUGBKDTLERFC-UHFFFAOYSA-N 1 2 326.831 3.888 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1nc(N)c2ccccc2n1 ZINC000154019682 1125685269 /nfs/dbraw/zinc/68/52/69/1125685269.db2.gz AXCUGBKDTLERFC-UHFFFAOYSA-N 1 2 326.831 3.888 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1COc1ccccc1 ZINC000154843333 1125760291 /nfs/dbraw/zinc/76/02/91/1125760291.db2.gz GNRPQADZKAQELR-UHFFFAOYSA-N 1 2 349.434 3.624 20 0 EHADLO CCC(CC)(CC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000154766272 1125754849 /nfs/dbraw/zinc/75/48/49/1125754849.db2.gz ZAYFBBMJRZZKJK-UHFFFAOYSA-N 1 2 332.492 3.566 20 0 EHADLO OCCC[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000347787865 1129782033 /nfs/dbraw/zinc/78/20/33/1129782033.db2.gz QCCUNGKZDYMFME-UHFFFAOYSA-N 1 2 340.286 3.895 20 0 EHADLO OCCC[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000347787865 1129782036 /nfs/dbraw/zinc/78/20/36/1129782036.db2.gz QCCUNGKZDYMFME-UHFFFAOYSA-N 1 2 340.286 3.895 20 0 EHADLO CC(C)[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(Cl)cc1F ZINC000622500145 1126707963 /nfs/dbraw/zinc/70/79/63/1126707963.db2.gz OKSBIAXGIVHYGD-MRXNPFEDSA-N 1 2 326.843 3.634 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000622493351 1126710485 /nfs/dbraw/zinc/71/04/85/1126710485.db2.gz VOZYDMYBNXJETP-RYUDHWBXSA-N 1 2 346.500 3.835 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000622493351 1126710487 /nfs/dbraw/zinc/71/04/87/1126710487.db2.gz VOZYDMYBNXJETP-RYUDHWBXSA-N 1 2 346.500 3.835 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2C1 ZINC000171346225 1126762675 /nfs/dbraw/zinc/76/26/75/1126762675.db2.gz YPBMQPAWWPSJPZ-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2C1 ZINC000171346225 1126762678 /nfs/dbraw/zinc/76/26/78/1126762678.db2.gz YPBMQPAWWPSJPZ-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCCCCNc1cccc[nH+]1 ZINC000171928624 1126770419 /nfs/dbraw/zinc/77/04/19/1126770419.db2.gz NGAILRGLXHSEKL-RVDMUPIBSA-N 1 2 327.453 3.696 20 0 EHADLO CC(C)CCOC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000172055375 1126778141 /nfs/dbraw/zinc/77/81/41/1126778141.db2.gz WBIFMIWBHBMKTB-UHFFFAOYSA-N 1 2 341.455 3.540 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cc(F)ccc2o1 ZINC000192256635 1126788394 /nfs/dbraw/zinc/78/83/94/1126788394.db2.gz YDQNUQYJWIMMOI-UHFFFAOYSA-N 1 2 343.402 3.883 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000336860633 1126812629 /nfs/dbraw/zinc/81/26/29/1126812629.db2.gz SWURLNXQSHFNST-INIZCTEOSA-N 1 2 335.856 3.521 20 0 EHADLO Cn1cc(-c2nc(C[NH+]3CCC(CC(F)(F)F)CC3)cs2)cn1 ZINC000671252778 1126819276 /nfs/dbraw/zinc/81/92/76/1126819276.db2.gz CEGITKKYXJYHGY-UHFFFAOYSA-N 1 2 344.406 3.708 20 0 EHADLO CCCCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185228838 1126831390 /nfs/dbraw/zinc/83/13/90/1126831390.db2.gz ZCGBLUZXOGOBDB-JTQLQIEISA-N 1 2 334.229 3.761 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185256477 1126840457 /nfs/dbraw/zinc/84/04/57/1126840457.db2.gz BQLWEIKZVYIEOG-UHFFFAOYSA-N 1 2 328.199 3.872 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185256477 1126840463 /nfs/dbraw/zinc/84/04/63/1126840463.db2.gz BQLWEIKZVYIEOG-UHFFFAOYSA-N 1 2 328.199 3.872 20 0 EHADLO Cc1cccn2cc(CC(=O)N(c3cccc(F)c3)C(C)C)[nH+]c12 ZINC000622972056 1126841127 /nfs/dbraw/zinc/84/11/27/1126841127.db2.gz ORAKDHWDOPOYDA-UHFFFAOYSA-N 1 2 325.387 3.766 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000175223279 1126867778 /nfs/dbraw/zinc/86/77/78/1126867778.db2.gz FEENPYJUPKYJMD-FZMZJTMJSA-N 1 2 349.887 3.815 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000623121117 1126880029 /nfs/dbraw/zinc/88/00/29/1126880029.db2.gz QRXHPRSDVLCBNG-UHFFFAOYSA-N 1 2 344.421 3.743 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000623121117 1126880032 /nfs/dbraw/zinc/88/00/32/1126880032.db2.gz QRXHPRSDVLCBNG-UHFFFAOYSA-N 1 2 344.421 3.743 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000623120586 1126880366 /nfs/dbraw/zinc/88/03/66/1126880366.db2.gz BTFHDMVHJMHSCR-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000623120586 1126880370 /nfs/dbraw/zinc/88/03/70/1126880370.db2.gz BTFHDMVHJMHSCR-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000623121679 1126880663 /nfs/dbraw/zinc/88/06/63/1126880663.db2.gz BVGRGHWRENGNRE-UHFFFAOYSA-N 1 2 338.757 3.561 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000623121679 1126880667 /nfs/dbraw/zinc/88/06/67/1126880667.db2.gz BVGRGHWRENGNRE-UHFFFAOYSA-N 1 2 338.757 3.561 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000623121043 1126880775 /nfs/dbraw/zinc/88/07/75/1126880775.db2.gz ODUVSXHSMCEUNR-QGZVFWFLSA-N 1 2 342.405 3.837 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000623121043 1126880778 /nfs/dbraw/zinc/88/07/78/1126880778.db2.gz ODUVSXHSMCEUNR-QGZVFWFLSA-N 1 2 342.405 3.837 20 0 EHADLO CCN(CC)[C@@H](C[NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000175983342 1126892946 /nfs/dbraw/zinc/89/29/46/1126892946.db2.gz HGZQJZRPDAPEML-SFHVURJKSA-N 1 2 338.455 3.842 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)c1 ZINC000671305107 1126898197 /nfs/dbraw/zinc/89/81/97/1126898197.db2.gz XODALTYQZDOYNS-UHFFFAOYSA-N 1 2 338.499 3.713 20 0 EHADLO Clc1ccc(-c2ncc(C[N@@H+]3CCc4n[nH]cc4C3)s2)cc1 ZINC000623241794 1126901894 /nfs/dbraw/zinc/90/18/94/1126901894.db2.gz DHVUHUHWKBFADR-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO Clc1ccc(-c2ncc(C[N@H+]3CCc4n[nH]cc4C3)s2)cc1 ZINC000623241794 1126901897 /nfs/dbraw/zinc/90/18/97/1126901897.db2.gz DHVUHUHWKBFADR-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cn2)cc1 ZINC000623264320 1126907502 /nfs/dbraw/zinc/90/75/02/1126907502.db2.gz OXDSMNJQIWJCFR-UHFFFAOYSA-N 1 2 336.395 3.798 20 0 EHADLO COc1ccccc1/C=C\C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000344708706 1126911950 /nfs/dbraw/zinc/91/19/50/1126911950.db2.gz ROOCXPLPMSNCNC-GMNBZTITSA-N 1 2 343.496 3.544 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000072918391 1126934290 /nfs/dbraw/zinc/93/42/90/1126934290.db2.gz ZINUXUQJVUMRGZ-KBPBESRZSA-N 1 2 332.473 3.938 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000072918391 1126934291 /nfs/dbraw/zinc/93/42/91/1126934291.db2.gz ZINUXUQJVUMRGZ-KBPBESRZSA-N 1 2 332.473 3.938 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)s1 ZINC000185569161 1126942586 /nfs/dbraw/zinc/94/25/86/1126942586.db2.gz TZGHNEHFPUZKAJ-MRVPVSSYSA-N 1 2 345.237 3.910 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NCc1c(Cl)oc2ccccc21 ZINC000623486832 1126965552 /nfs/dbraw/zinc/96/55/52/1126965552.db2.gz KDZWGBYYEDCZTQ-UHFFFAOYSA-N 1 2 346.818 3.562 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccccc2Cl)ccc1F ZINC000177213583 1126978946 /nfs/dbraw/zinc/97/89/46/1126978946.db2.gz GQIOSMLYLDYTHL-QZTJIDSGSA-N 1 2 346.833 3.697 20 0 EHADLO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(Br)cc(F)c1O ZINC000185679304 1126981339 /nfs/dbraw/zinc/98/13/39/1126981339.db2.gz LKEYNXVDMBHQIJ-YMTOWFKASA-N 1 2 332.213 3.514 20 0 EHADLO CC(C)([NH2+]Cc1cc2n(n1)CCCC2)c1nc2ccccc2s1 ZINC000623610227 1126995740 /nfs/dbraw/zinc/99/57/40/1126995740.db2.gz BJWBGKDUFSPCCX-UHFFFAOYSA-N 1 2 326.469 3.854 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000178459632 1127018723 /nfs/dbraw/zinc/01/87/23/1127018723.db2.gz PNCAYEBVCLMXGT-CYBMUJFWSA-N 1 2 334.423 3.747 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc2c(c1)OCO2 ZINC000178612275 1127022729 /nfs/dbraw/zinc/02/27/29/1127022729.db2.gz IYVBYIIXJJLEIN-QMMMGPOBSA-N 1 2 330.331 3.741 20 0 EHADLO FC1(F)C[C@@]12CC[N@H+](Cc1c(Cl)cncc1Br)C2 ZINC001238390642 1127043833 /nfs/dbraw/zinc/04/38/33/1127043833.db2.gz CRBLYOPNBSAZLJ-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@@]12CC[N@@H+](Cc1c(Cl)cncc1Br)C2 ZINC001238390642 1127043836 /nfs/dbraw/zinc/04/38/36/1127043836.db2.gz CRBLYOPNBSAZLJ-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000179507948 1127068329 /nfs/dbraw/zinc/06/83/29/1127068329.db2.gz AZEWBTXJNBSUJP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000179507948 1127068333 /nfs/dbraw/zinc/06/83/33/1127068333.db2.gz AZEWBTXJNBSUJP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1OC ZINC000179624479 1127075956 /nfs/dbraw/zinc/07/59/56/1127075956.db2.gz YLDLJKPEFZRIDZ-GFCCVEGCSA-N 1 2 343.383 3.506 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1OC ZINC000179623267 1127076459 /nfs/dbraw/zinc/07/64/59/1127076459.db2.gz RSHUDAIVERJZIA-LBPRGKRZSA-N 1 2 343.383 3.506 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)c1 ZINC000179668793 1127079920 /nfs/dbraw/zinc/07/99/20/1127079920.db2.gz UBAQFNYRHWZUPR-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000179861365 1127096848 /nfs/dbraw/zinc/09/68/48/1127096848.db2.gz DSIHRRZYKCXITE-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000179861365 1127096852 /nfs/dbraw/zinc/09/68/52/1127096852.db2.gz DSIHRRZYKCXITE-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179924368 1127100759 /nfs/dbraw/zinc/10/07/59/1127100759.db2.gz JXSOYHJNVBDTFE-ZDUSSCGKSA-N 1 2 346.402 3.522 20 0 EHADLO CCc1ccnc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000180181819 1127130168 /nfs/dbraw/zinc/13/01/68/1127130168.db2.gz JOCDADJWNJXSHN-UHFFFAOYSA-N 1 2 326.787 3.735 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000180501249 1127166560 /nfs/dbraw/zinc/16/65/60/1127166560.db2.gz CZTNBCYUSURSCU-SNVBAGLBSA-N 1 2 341.329 3.985 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000180501249 1127166563 /nfs/dbraw/zinc/16/65/63/1127166563.db2.gz CZTNBCYUSURSCU-SNVBAGLBSA-N 1 2 341.329 3.985 20 0 EHADLO COc1ccc2cccc(Cc3noc(C[C@H](C)n4cc[nH+]c4)n3)c2c1 ZINC000351431608 1127178138 /nfs/dbraw/zinc/17/81/38/1127178138.db2.gz VWNNMKQOMPHVFO-AWEZNQCLSA-N 1 2 348.406 3.822 20 0 EHADLO Cc1oc2nc(C[NH2+]C(C)(C)c3ccc(F)c(F)c3)nc(N)c2c1C ZINC000180858790 1127190413 /nfs/dbraw/zinc/19/04/13/1127190413.db2.gz RQCCZHROIVILER-UHFFFAOYSA-N 1 2 346.381 3.725 20 0 EHADLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000180937747 1127192840 /nfs/dbraw/zinc/19/28/40/1127192840.db2.gz UYUZWVRCLYJGRG-MRXNPFEDSA-N 1 2 347.503 3.624 20 0 EHADLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000180937747 1127192838 /nfs/dbraw/zinc/19/28/38/1127192838.db2.gz UYUZWVRCLYJGRG-MRXNPFEDSA-N 1 2 347.503 3.624 20 0 EHADLO OC[C@@H]([NH2+][C@H]1CCCc2scnc21)c1ccc(C(F)(F)F)cc1 ZINC000623925348 1127218298 /nfs/dbraw/zinc/21/82/98/1127218298.db2.gz CADATKADJYFKLA-QWHCGFSZSA-N 1 2 342.386 3.863 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2cc(Br)ccc2C)s1 ZINC000623957691 1127222100 /nfs/dbraw/zinc/22/21/00/1127222100.db2.gz QRDULTHJDUKTGH-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000623992249 1127228710 /nfs/dbraw/zinc/22/87/10/1127228710.db2.gz IHPXOLTWGJGZAV-MRVPVSSYSA-N 1 2 328.313 3.691 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624106266 1127252520 /nfs/dbraw/zinc/25/25/20/1127252520.db2.gz VAUJTWQQYWQBBH-CYBMUJFWSA-N 1 2 348.454 3.737 20 0 EHADLO C[C@H](Cc1nnc(NCc2cccc3[nH+]ccn32)o1)CC(C)(C)C ZINC000181786265 1127296812 /nfs/dbraw/zinc/29/68/12/1127296812.db2.gz VVKLXNYZOUOETA-CYBMUJFWSA-N 1 2 327.432 3.944 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000181873780 1127300797 /nfs/dbraw/zinc/30/07/97/1127300797.db2.gz APOBBCCJVSOEDH-CWRNSKLLSA-N 1 2 329.444 3.515 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000181963436 1127305319 /nfs/dbraw/zinc/30/53/19/1127305319.db2.gz OOZRHJVSSGITDD-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000181963436 1127305322 /nfs/dbraw/zinc/30/53/22/1127305322.db2.gz OOZRHJVSSGITDD-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)c1 ZINC000182521914 1127334613 /nfs/dbraw/zinc/33/46/13/1127334613.db2.gz HONAXXZMFCEVNI-ZDUSSCGKSA-N 1 2 336.395 3.546 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182617609 1127340085 /nfs/dbraw/zinc/34/00/85/1127340085.db2.gz WOPZJIZQVFBRRY-HNNXBMFYSA-N 1 2 331.378 3.894 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182617609 1127340089 /nfs/dbraw/zinc/34/00/89/1127340089.db2.gz WOPZJIZQVFBRRY-HNNXBMFYSA-N 1 2 331.378 3.894 20 0 EHADLO CCC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC)cc1 ZINC000182881522 1127352612 /nfs/dbraw/zinc/35/26/12/1127352612.db2.gz ZQGGOXUASPJYCN-LJQANCHMSA-N 1 2 341.455 3.880 20 0 EHADLO Cc1cccc(C)c1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000183111162 1127363534 /nfs/dbraw/zinc/36/35/34/1127363534.db2.gz VDZXDEXZMCFNHK-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000183076798 1127361493 /nfs/dbraw/zinc/36/14/93/1127361493.db2.gz ZTJWLUIDLGAHRH-WNSKOXEYSA-N 1 2 346.477 3.613 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(CC(C)C)c2)[C@H](C)CO1 ZINC000183351972 1127373555 /nfs/dbraw/zinc/37/35/55/1127373555.db2.gz SQWKSVXBNYPLHH-YLJYHZDGSA-N 1 2 327.472 3.810 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(CC(C)C)c2)[C@H](C)CO1 ZINC000183351972 1127373559 /nfs/dbraw/zinc/37/35/59/1127373559.db2.gz SQWKSVXBNYPLHH-YLJYHZDGSA-N 1 2 327.472 3.810 20 0 EHADLO c1ccn2c(c1)nnc2C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000183785586 1127387261 /nfs/dbraw/zinc/38/72/61/1127387261.db2.gz BMIAFGXMTPTWSU-UHFFFAOYSA-N 1 2 340.430 3.707 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184195373 1127397854 /nfs/dbraw/zinc/39/78/54/1127397854.db2.gz AJPPCJIGEVYQMC-VHSXEESVSA-N 1 2 341.839 3.922 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000184277530 1127400129 /nfs/dbraw/zinc/40/01/29/1127400129.db2.gz LDHAHFUBAKCQKZ-NXEZZACHSA-N 1 2 348.497 3.778 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184476411 1127406139 /nfs/dbraw/zinc/40/61/39/1127406139.db2.gz TVFYSYGHOXWCGO-KGLIPLIRSA-N 1 2 339.549 3.984 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)cs1 ZINC000184681328 1127411112 /nfs/dbraw/zinc/41/11/12/1127411112.db2.gz CXCIIDDBQDPOCG-UONOGXRCSA-N 1 2 343.496 3.724 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(SC)cc2)cs1 ZINC000184739889 1127412566 /nfs/dbraw/zinc/41/25/66/1127412566.db2.gz VSQQMTHEOCHBQF-LLVKDONJSA-N 1 2 335.498 3.717 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(SC)cc2)cs1 ZINC000184739909 1127412636 /nfs/dbraw/zinc/41/26/36/1127412636.db2.gz VSQQMTHEOCHBQF-NSHDSACASA-N 1 2 335.498 3.717 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(CC)cc2)o1 ZINC000184773319 1127413355 /nfs/dbraw/zinc/41/33/55/1127413355.db2.gz YLLGOLZMHDUWEE-RDTXWAMCSA-N 1 2 344.455 3.709 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H](O)C(F)(F)F ZINC000185171416 1127421866 /nfs/dbraw/zinc/42/18/66/1127421866.db2.gz BFJBLKBOGLOMBH-OAHLLOKOSA-N 1 2 345.386 3.682 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccs1)C[C@@H](O)C(F)(F)F ZINC000185171416 1127421870 /nfs/dbraw/zinc/42/18/70/1127421870.db2.gz BFJBLKBOGLOMBH-OAHLLOKOSA-N 1 2 345.386 3.682 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H](O)C(F)(F)F ZINC000185171399 1127422057 /nfs/dbraw/zinc/42/20/57/1127422057.db2.gz BFJBLKBOGLOMBH-HNNXBMFYSA-N 1 2 345.386 3.682 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccs1)C[C@H](O)C(F)(F)F ZINC000185171399 1127422058 /nfs/dbraw/zinc/42/20/58/1127422058.db2.gz BFJBLKBOGLOMBH-HNNXBMFYSA-N 1 2 345.386 3.682 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000184982061 1127417327 /nfs/dbraw/zinc/41/73/27/1127417327.db2.gz BWORFBVABFPQBK-INIZCTEOSA-N 1 2 345.512 3.849 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000184999622 1127418053 /nfs/dbraw/zinc/41/80/53/1127418053.db2.gz IEMWYQYQHKAWCG-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000193155957 1127433966 /nfs/dbraw/zinc/43/39/66/1127433966.db2.gz DUYQKDSWHHFYEJ-AWEZNQCLSA-N 1 2 331.485 3.731 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000193308400 1127434870 /nfs/dbraw/zinc/43/48/70/1127434870.db2.gz ZVZOXXJWVICFHF-OAQYLSRUSA-N 1 2 344.418 3.617 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000193614015 1127440607 /nfs/dbraw/zinc/44/06/07/1127440607.db2.gz MLIBAXSFQGMOIQ-UHFFFAOYSA-N 1 2 338.436 3.538 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccccc2Cl)c(OC)c1OC ZINC000194271361 1127455640 /nfs/dbraw/zinc/45/56/40/1127455640.db2.gz PGFZGTIQRHJMIZ-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)c(OC)c1OC ZINC000194271361 1127455643 /nfs/dbraw/zinc/45/56/43/1127455643.db2.gz PGFZGTIQRHJMIZ-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO CCOC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000010896532 1127631868 /nfs/dbraw/zinc/63/18/68/1127631868.db2.gz IXDYMSVXTIKDJB-UHFFFAOYSA-N 1 2 338.367 3.692 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)s1)c1cccs1 ZINC000015294365 1127651873 /nfs/dbraw/zinc/65/18/73/1127651873.db2.gz NKSCLKHNCHUDEV-SNVBAGLBSA-N 1 2 328.890 3.772 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1)c1cccs1 ZINC000015294365 1127651877 /nfs/dbraw/zinc/65/18/77/1127651877.db2.gz NKSCLKHNCHUDEV-SNVBAGLBSA-N 1 2 328.890 3.772 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000921530731 1127672742 /nfs/dbraw/zinc/67/27/42/1127672742.db2.gz URJFYTYXBYFKNT-KRWDZBQOSA-N 1 2 344.455 3.820 20 0 EHADLO COc1cccc(C[N@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)c1 ZINC000021670997 1127684586 /nfs/dbraw/zinc/68/45/86/1127684586.db2.gz WCCPPLDHSYXJCO-UHFFFAOYSA-N 1 2 326.440 3.763 20 0 EHADLO COc1cccc(C[N@@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)c1 ZINC000021670997 1127684588 /nfs/dbraw/zinc/68/45/88/1127684588.db2.gz WCCPPLDHSYXJCO-UHFFFAOYSA-N 1 2 326.440 3.763 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289305 1127691198 /nfs/dbraw/zinc/69/11/98/1127691198.db2.gz LWNDTXYKNKUTIY-UHFFFAOYSA-N 1 2 349.887 3.964 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc4cc(Cl)ccc4o3)sc2C1 ZINC000023609163 1127698417 /nfs/dbraw/zinc/69/84/17/1127698417.db2.gz VEYMENDAHFFTRE-UHFFFAOYSA-N 1 2 347.827 3.783 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc4cc(Cl)ccc4o3)sc2C1 ZINC000023609163 1127698419 /nfs/dbraw/zinc/69/84/19/1127698419.db2.gz VEYMENDAHFFTRE-UHFFFAOYSA-N 1 2 347.827 3.783 20 0 EHADLO Cc1ccc(/C=C/C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024747155 1127710139 /nfs/dbraw/zinc/71/01/39/1127710139.db2.gz NLGCOSYNBFUDBY-MDZDMXLPSA-N 1 2 331.419 3.569 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000921553980 1127728072 /nfs/dbraw/zinc/72/80/72/1127728072.db2.gz ZGPMQZBDWZOUMV-UHFFFAOYSA-N 1 2 345.462 3.865 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@H]1C ZINC001127940661 1127740456 /nfs/dbraw/zinc/74/04/56/1127740456.db2.gz FVWAGYHCBFHAQJ-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO O=C(CCC1CCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026216095 1127770700 /nfs/dbraw/zinc/77/07/00/1127770700.db2.gz UJYLGLHJTWSVFQ-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO O=C(CCC1CCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027470686 1127780911 /nfs/dbraw/zinc/78/09/11/1127780911.db2.gz ZAYRJUYYNKGYCZ-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1C ZINC000027543305 1127781551 /nfs/dbraw/zinc/78/15/51/1127781551.db2.gz NOCQRJGEEUORID-UHFFFAOYSA-N 1 2 342.439 3.558 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1C ZINC000027543305 1127781553 /nfs/dbraw/zinc/78/15/53/1127781553.db2.gz NOCQRJGEEUORID-UHFFFAOYSA-N 1 2 342.439 3.558 20 0 EHADLO Cc1ccc(-c2cc(C(=O)Nc3cccc(C[NH+](C)C)c3)[nH]n2)cc1 ZINC000029164861 1127795340 /nfs/dbraw/zinc/79/53/40/1127795340.db2.gz KZKWQBKYOSNLEH-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000172197212 1127805602 /nfs/dbraw/zinc/80/56/02/1127805602.db2.gz IDBAXFOKLXFPNL-AWEZNQCLSA-N 1 2 344.846 3.646 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000030004301 1127813192 /nfs/dbraw/zinc/81/31/92/1127813192.db2.gz RWRISIMBKISWSA-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000030004301 1127813197 /nfs/dbraw/zinc/81/31/97/1127813197.db2.gz RWRISIMBKISWSA-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H](c2ccccc2)C1 ZINC000030030143 1127813683 /nfs/dbraw/zinc/81/36/83/1127813683.db2.gz CLNSVZUPGLLESB-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H](c2ccccc2)C1 ZINC000030030143 1127813684 /nfs/dbraw/zinc/81/36/84/1127813684.db2.gz CLNSVZUPGLLESB-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218225 1127816308 /nfs/dbraw/zinc/81/63/08/1127816308.db2.gz LBOKADBACVRBFM-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(Cl)cc1 ZINC000031661723 1127838493 /nfs/dbraw/zinc/83/84/93/1127838493.db2.gz QKOQIXGXEKHXFA-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677774 1127891257 /nfs/dbraw/zinc/89/12/57/1127891257.db2.gz PRNLNSBYAGQVCM-GHMZBOCLSA-N 1 2 336.785 3.790 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000104677774 1127891262 /nfs/dbraw/zinc/89/12/62/1127891262.db2.gz PRNLNSBYAGQVCM-GHMZBOCLSA-N 1 2 336.785 3.790 20 0 EHADLO Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCc2c[nH+]cn2C)o1 ZINC000351212494 1127907338 /nfs/dbraw/zinc/90/73/38/1127907338.db2.gz GRJIPQSIZZKDFP-UHFFFAOYSA-N 1 2 344.802 3.964 20 0 EHADLO CCn1nc(-c2ccccc2)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212355796 1127945995 /nfs/dbraw/zinc/94/59/95/1127945995.db2.gz AQJGAIRJMKQAFJ-UHFFFAOYSA-N 1 2 349.438 3.545 20 0 EHADLO COc1cccc2c1N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000045730543 1127958154 /nfs/dbraw/zinc/95/81/54/1127958154.db2.gz BVYZLWGKURZZHS-UHFFFAOYSA-N 1 2 347.418 3.533 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000338639841 1127958612 /nfs/dbraw/zinc/95/86/12/1127958612.db2.gz DZGSHFDUZFMVSL-UHFFFAOYSA-N 1 2 336.407 3.644 20 0 EHADLO Cc1cccc(Br)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358469 1127962051 /nfs/dbraw/zinc/96/20/51/1127962051.db2.gz LJMSVQOQJYGELR-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914047 1127963615 /nfs/dbraw/zinc/96/36/15/1127963615.db2.gz PXJYFTXGUOSLET-KXBFYZLASA-N 1 2 343.471 3.919 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000172449791 1127975637 /nfs/dbraw/zinc/97/56/37/1127975637.db2.gz VHTARQFYSXEUES-MRXNPFEDSA-N 1 2 342.443 3.616 20 0 EHADLO Clc1ccc2cccnc2c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362626 1128002199 /nfs/dbraw/zinc/00/21/99/1128002199.db2.gz PYXXJXNBCTZONK-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccccc2)on1 ZINC000056866822 1128030862 /nfs/dbraw/zinc/03/08/62/1128030862.db2.gz VTERGSPTPKQFBG-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1c(C(=O)NCCCCn2cc[nH+]c2)oc2c1c(C)ccc2C ZINC000056985983 1128033772 /nfs/dbraw/zinc/03/37/72/1128033772.db2.gz RFOKQQWEPRXBDI-UHFFFAOYSA-N 1 2 325.412 3.765 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2c(F)cccc2Br)ccn1 ZINC000347537307 1128055164 /nfs/dbraw/zinc/05/51/64/1128055164.db2.gz JWUSTUPSTVVXPI-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)Cn1cc(C(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000060407731 1128100724 /nfs/dbraw/zinc/10/07/24/1128100724.db2.gz SDXDDIQBAPSSQP-UHFFFAOYSA-N 1 2 338.455 3.704 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000347603611 1128131039 /nfs/dbraw/zinc/13/10/39/1128131039.db2.gz RIRLFDDKTVSOBF-MRXNPFEDSA-N 1 2 334.510 3.851 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000347603611 1128131040 /nfs/dbraw/zinc/13/10/40/1128131040.db2.gz RIRLFDDKTVSOBF-MRXNPFEDSA-N 1 2 334.510 3.851 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000062647003 1128136536 /nfs/dbraw/zinc/13/65/36/1128136536.db2.gz VRIRZMOWELXWTG-UHFFFAOYSA-N 1 2 332.492 3.886 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](c1ccccc1)c1cccnc1)OCO2 ZINC001649084124 1128184244 /nfs/dbraw/zinc/18/42/44/1128184244.db2.gz KSYQIJALVIMOBL-OAQYLSRUSA-N 1 2 348.402 3.698 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)NCCCCNc3cccc[nH+]3)CC2)c1 ZINC000068421803 1128266123 /nfs/dbraw/zinc/26/61/23/1128266123.db2.gz YDWQLFKRKIFXCM-UHFFFAOYSA-N 1 2 337.467 3.739 20 0 EHADLO CCC[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068422690 1128266328 /nfs/dbraw/zinc/26/63/28/1128266328.db2.gz FIVKPGUJEKUKEG-SFHVURJKSA-N 1 2 325.456 3.974 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCc2ccccc21 ZINC000067523596 1128243021 /nfs/dbraw/zinc/24/30/21/1128243021.db2.gz NCDWYIKKWXZALY-SFHVURJKSA-N 1 2 349.409 3.748 20 0 EHADLO CC1(C)CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000069103989 1128282201 /nfs/dbraw/zinc/28/22/01/1128282201.db2.gz JFCXQIGCSFXXIY-SFHVURJKSA-N 1 2 340.471 3.775 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000671773441 1128299892 /nfs/dbraw/zinc/29/98/92/1128299892.db2.gz VTFIEEIZLIDNIH-MNOVXSKESA-N 1 2 343.374 3.687 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1c(F)cccc1F ZINC000072484672 1128298480 /nfs/dbraw/zinc/29/84/80/1128298480.db2.gz NKCUTNXUCATPGW-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CCC(CC)(CC)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000073566137 1128325038 /nfs/dbraw/zinc/32/50/38/1128325038.db2.gz OCOJAAZAVQFSJS-UHFFFAOYSA-N 1 2 328.460 3.699 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cccc(CSCc2ccccc2)c1 ZINC000073762402 1128328027 /nfs/dbraw/zinc/32/80/27/1128328027.db2.gz RQHDEAVRLJCDHG-UHFFFAOYSA-N 1 2 337.448 3.955 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000073991300 1128333173 /nfs/dbraw/zinc/33/31/73/1128333173.db2.gz DZMSBMJRVBQYOO-ZDUSSCGKSA-N 1 2 330.457 3.933 20 0 EHADLO COc1cccc([C@@H](C)CC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000084539155 1128343516 /nfs/dbraw/zinc/34/35/16/1128343516.db2.gz XJDYCWZBQRULAT-ZDUSSCGKSA-N 1 2 342.439 3.526 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000112526617 1128347992 /nfs/dbraw/zinc/34/79/92/1128347992.db2.gz XRXAHZHMQRCOAK-UONOGXRCSA-N 1 2 338.411 3.764 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000112526622 1128348054 /nfs/dbraw/zinc/34/80/54/1128348054.db2.gz XRXAHZHMQRCOAK-ZIAGYGMSSA-N 1 2 338.411 3.764 20 0 EHADLO C[C@H]1CC(F)(F)CCN1c1cc(N2CCC(F)(F)C[C@@H]2C)[nH+]cn1 ZINC000624637233 1128414066 /nfs/dbraw/zinc/41/40/66/1128414066.db2.gz WOFWEUXLACBFPY-RYUDHWBXSA-N 1 2 346.372 3.725 20 0 EHADLO COc1ccc([C@H]2C[C@@H]([NH2+]CC(F)(F)c3ccccn3)CCO2)cc1 ZINC001168611725 1128376412 /nfs/dbraw/zinc/37/64/12/1128376412.db2.gz XEKBIWLIDDBFQP-DOTOQJQBSA-N 1 2 348.393 3.692 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc(Cl)s3)[nH+]c12 ZINC000624533501 1128388239 /nfs/dbraw/zinc/38/82/39/1128388239.db2.gz FHKJCAAAQJAGDQ-UHFFFAOYSA-N 1 2 333.844 3.559 20 0 EHADLO Cc1c(NC(=O)Nc2ccn3cc[nH+]c3c2)n[nH]c1-c1ccccc1 ZINC001670977907 1128404308 /nfs/dbraw/zinc/40/43/08/1128404308.db2.gz TXTAXNKCLNQIOF-UHFFFAOYSA-N 1 2 332.367 3.677 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000655051013 1128404600 /nfs/dbraw/zinc/40/46/00/1128404600.db2.gz GFCCVBPPFOOMNJ-CYBMUJFWSA-N 1 2 349.837 3.729 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000655051013 1128404604 /nfs/dbraw/zinc/40/46/04/1128404604.db2.gz GFCCVBPPFOOMNJ-CYBMUJFWSA-N 1 2 349.837 3.729 20 0 EHADLO C[C@H](C[N@H+](C)[C@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441583 1128411322 /nfs/dbraw/zinc/41/13/22/1128411322.db2.gz LFKFBHMOXIQVKN-VXGBXAGGSA-N 1 2 328.403 3.871 20 0 EHADLO C[C@H](C[N@@H+](C)[C@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441583 1128411324 /nfs/dbraw/zinc/41/13/24/1128411324.db2.gz LFKFBHMOXIQVKN-VXGBXAGGSA-N 1 2 328.403 3.871 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCO[C@@H]3C(C)C)cc2)[nH+]c1C ZINC000921659900 1128439082 /nfs/dbraw/zinc/43/90/82/1128439082.db2.gz PPQVAJRPJJNYBZ-DLBZAZTESA-N 1 2 327.428 3.693 20 0 EHADLO CCc1cc(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)c(C)nn1 ZINC000921663715 1128441739 /nfs/dbraw/zinc/44/17/39/1128441739.db2.gz ZAHUAASBUFVEIP-UHFFFAOYSA-N 1 2 335.411 3.607 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155743132 1128469407 /nfs/dbraw/zinc/46/94/07/1128469407.db2.gz HJDKNXYMRTZDJH-NEPJUHHUSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155743132 1128469410 /nfs/dbraw/zinc/46/94/10/1128469410.db2.gz HJDKNXYMRTZDJH-NEPJUHHUSA-N 1 2 334.407 3.941 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccc(C)o1 ZINC000347634110 1128484129 /nfs/dbraw/zinc/48/41/29/1128484129.db2.gz IRGOUNCJTJRXRQ-IAGOWNOFSA-N 1 2 344.455 3.818 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000542673654 1128493974 /nfs/dbraw/zinc/49/39/74/1128493974.db2.gz KNSZZLRLNUFROH-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO c1ccc(COC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)cc1 ZINC000347649139 1128512396 /nfs/dbraw/zinc/51/23/96/1128512396.db2.gz HQOSHRLOLUVBLB-IBGZPJMESA-N 1 2 348.450 3.730 20 0 EHADLO OCc1ccccc1CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000347652829 1128517616 /nfs/dbraw/zinc/51/76/16/1128517616.db2.gz RPNIYUMOMBTHJV-UHFFFAOYSA-N 1 2 336.888 3.744 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(C(C)(C)C)cc2cccnc21 ZINC000529270220 1128527477 /nfs/dbraw/zinc/52/74/77/1128527477.db2.gz OYPUPILAFKLMLC-UHFFFAOYSA-N 1 2 337.427 3.588 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000055696753 1128527590 /nfs/dbraw/zinc/52/75/90/1128527590.db2.gz WADKVISYSAZBCY-CRAIPNDOSA-N 1 2 349.434 3.838 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)c(OC(F)F)c1 ZINC000353407177 1128564781 /nfs/dbraw/zinc/56/47/81/1128564781.db2.gz RBEVVLZCRGPZNQ-NSHDSACASA-N 1 2 325.359 3.651 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000107898961 1128571205 /nfs/dbraw/zinc/57/12/05/1128571205.db2.gz PHSVRZBCHQQDNN-UHFFFAOYSA-N 1 2 335.835 3.642 20 0 EHADLO c1ccc(OC[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000542802993 1128645337 /nfs/dbraw/zinc/64/53/37/1128645337.db2.gz HOXKTVZTYJAELF-OAHLLOKOSA-N 1 2 327.428 3.628 20 0 EHADLO c1ccc(OC[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000542802993 1128645341 /nfs/dbraw/zinc/64/53/41/1128645341.db2.gz HOXKTVZTYJAELF-OAHLLOKOSA-N 1 2 327.428 3.628 20 0 EHADLO c1ccc2c(c1)NCC[C@@H]2Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001168649317 1128645741 /nfs/dbraw/zinc/64/57/41/1128645741.db2.gz NNLVYWMULLTTMI-SFHVURJKSA-N 1 2 325.412 3.608 20 0 EHADLO Cc1cccc([C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C(C)C)c1 ZINC000624799186 1128756379 /nfs/dbraw/zinc/75/63/79/1128756379.db2.gz RNJJBYDTUQFXLL-GOSISDBHSA-N 1 2 328.460 3.620 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338723162 1128761473 /nfs/dbraw/zinc/76/14/73/1128761473.db2.gz FDWXGXHGAWVESJ-CQSZACIVSA-N 1 2 341.789 3.975 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338723162 1128761476 /nfs/dbraw/zinc/76/14/76/1128761476.db2.gz FDWXGXHGAWVESJ-CQSZACIVSA-N 1 2 341.789 3.975 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cccc(C)c1OC)c1ccccc1 ZINC000656126941 1128773746 /nfs/dbraw/zinc/77/37/46/1128773746.db2.gz CISQUGYJVBMETR-LJQANCHMSA-N 1 2 340.467 3.703 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H](C3CC3)[C@@H]3CCCCO3)c12 ZINC000656206829 1128818104 /nfs/dbraw/zinc/81/81/04/1128818104.db2.gz FAXXMYXTZUBJFB-ZWKOTPCHSA-N 1 2 349.438 3.575 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154529 1128818621 /nfs/dbraw/zinc/81/86/21/1128818621.db2.gz OOMBRHXPSLOLOB-HNNXBMFYSA-N 1 2 345.402 3.836 20 0 EHADLO Brc1cc(CNc2cc3cc[nH]c3c[nH+]2)cc2c1OCO2 ZINC000672189017 1128841001 /nfs/dbraw/zinc/84/10/01/1128841001.db2.gz XYYMKZQFORGRCY-UHFFFAOYSA-N 1 2 346.184 3.666 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cn2c1 ZINC000007486294 1128868601 /nfs/dbraw/zinc/86/86/01/1128868601.db2.gz ODCFTYXPUFMPLX-UHFFFAOYSA-N 1 2 334.467 3.582 20 0 EHADLO COc1c[nH+]c(N[C@@H]2CCC(F)(F)C2)nc1N[C@@H]1CCC(F)(F)C1 ZINC000672238113 1128871850 /nfs/dbraw/zinc/87/18/50/1128871850.db2.gz XEJFHEAIGFHPRH-NXEZZACHSA-N 1 2 348.344 3.685 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000063520769 1128882499 /nfs/dbraw/zinc/88/24/99/1128882499.db2.gz IZPVXZWQJIPBSF-UHFFFAOYSA-N 1 2 327.409 3.651 20 0 EHADLO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1Cl ZINC000672263336 1128888217 /nfs/dbraw/zinc/88/82/17/1128888217.db2.gz OLXMYZKQUICQLD-GOSISDBHSA-N 1 2 343.858 3.901 20 0 EHADLO CCc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1Cl ZINC000672263336 1128888220 /nfs/dbraw/zinc/88/82/20/1128888220.db2.gz OLXMYZKQUICQLD-GOSISDBHSA-N 1 2 343.858 3.901 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)cs1 ZINC000063604828 1128889343 /nfs/dbraw/zinc/88/93/43/1128889343.db2.gz MRXKTXMSXVAPGC-QGZVFWFLSA-N 1 2 348.512 3.502 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)cs1 ZINC000063604828 1128889345 /nfs/dbraw/zinc/88/93/45/1128889345.db2.gz MRXKTXMSXVAPGC-QGZVFWFLSA-N 1 2 348.512 3.502 20 0 EHADLO CCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CCCC1 ZINC000129109233 1120141478 /nfs/dbraw/zinc/14/14/78/1120141478.db2.gz VRUQQRSXCZWWGQ-SFHVURJKSA-N 1 2 329.488 3.523 20 0 EHADLO CCC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CCCC1 ZINC000129109233 1120141480 /nfs/dbraw/zinc/14/14/80/1120141480.db2.gz VRUQQRSXCZWWGQ-SFHVURJKSA-N 1 2 329.488 3.523 20 0 EHADLO Cc1cccc(C)c1C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000227827940 1120185136 /nfs/dbraw/zinc/18/51/36/1120185136.db2.gz VKFZTXHJKCKJPZ-UHFFFAOYSA-N 1 2 328.403 3.553 20 0 EHADLO CC[C@@H](C)c1nnc(N(C)CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001708403587 1120264930 /nfs/dbraw/zinc/26/49/30/1120264930.db2.gz HAOFNCCHRAWAAE-OAHLLOKOSA-N 1 2 342.491 3.535 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000355251606 1128911994 /nfs/dbraw/zinc/91/19/94/1128911994.db2.gz FCCVWKPZSXFCPL-UHFFFAOYSA-N 1 2 337.448 3.642 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000185641327 1120423215 /nfs/dbraw/zinc/42/32/15/1120423215.db2.gz WBSAXGRMKLXCEQ-UHFFFAOYSA-N 1 2 345.450 3.784 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1CCC[C@@H]1C ZINC000185967707 1120437503 /nfs/dbraw/zinc/43/75/03/1120437503.db2.gz IAJUAASSFYIFLL-PKOBYXMFSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)c2c(O)cccc21 ZINC000186330154 1120454720 /nfs/dbraw/zinc/45/47/20/1120454720.db2.gz QKLCZTOWGSZSEJ-AWEZNQCLSA-N 1 2 333.391 3.732 20 0 EHADLO Cc1ncsc1/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000186345893 1120456497 /nfs/dbraw/zinc/45/64/97/1120456497.db2.gz LPZIDDWLCHNMPI-SNAWJCMRSA-N 1 2 344.827 3.943 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187053520 1120484551 /nfs/dbraw/zinc/48/45/51/1120484551.db2.gz KESMOKSJMKSXQJ-MRXNPFEDSA-N 1 2 325.412 3.647 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1F ZINC000542480406 1120518402 /nfs/dbraw/zinc/51/84/02/1120518402.db2.gz BEUVPTLEWAKVRP-IBGZPJMESA-N 1 2 325.362 3.942 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1F ZINC000494425422 1120555327 /nfs/dbraw/zinc/55/53/27/1120555327.db2.gz LWIWWLMFJZJFME-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000921927902 1128927443 /nfs/dbraw/zinc/92/74/43/1128927443.db2.gz KNLQZPOSAXLDRV-UHFFFAOYSA-N 1 2 328.243 3.724 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](CO)c3sccc3C)co2)cc1 ZINC000494649148 1120705017 /nfs/dbraw/zinc/70/50/17/1120705017.db2.gz QBXQMHMKBJCWQT-INIZCTEOSA-N 1 2 344.436 3.543 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000192328864 1120730864 /nfs/dbraw/zinc/73/08/64/1120730864.db2.gz PWEGRKKPGSUXPC-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2SC)c1C ZINC000195004220 1120759820 /nfs/dbraw/zinc/75/98/20/1120759820.db2.gz KKJGWQMAANSUAV-UHFFFAOYSA-N 1 2 330.453 3.701 20 0 EHADLO CCCN(CCC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000193605011 1120787203 /nfs/dbraw/zinc/78/72/03/1120787203.db2.gz UEUOYNOQUNVXDR-IRXDYDNUSA-N 1 2 347.503 3.950 20 0 EHADLO CC(C)c1noc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000193744450 1120795382 /nfs/dbraw/zinc/79/53/82/1120795382.db2.gz ROBOINNDBMISCD-CQSZACIVSA-N 1 2 348.878 3.725 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)N[C@H](C)CCCC(C)C)CCC2)n1 ZINC000494799495 1120836496 /nfs/dbraw/zinc/83/64/96/1120836496.db2.gz JKIZYZXLFQRUEV-CQSZACIVSA-N 1 2 337.533 3.751 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cccc(F)c2F)c1C ZINC000194881959 1120867983 /nfs/dbraw/zinc/86/79/83/1120867983.db2.gz XDAATSWBHVOKNY-UHFFFAOYSA-N 1 2 348.393 3.576 20 0 EHADLO CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000542516727 1120881441 /nfs/dbraw/zinc/88/14/41/1120881441.db2.gz BSELWNAKJOZCKD-VIFPVBQESA-N 1 2 348.082 3.839 20 0 EHADLO CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000542516727 1120881443 /nfs/dbraw/zinc/88/14/43/1120881443.db2.gz BSELWNAKJOZCKD-VIFPVBQESA-N 1 2 348.082 3.839 20 0 EHADLO Brc1cccc2c1CC[N@H+](C/C=C\c1ccncc1)C2 ZINC000494964343 1120919846 /nfs/dbraw/zinc/91/98/46/1120919846.db2.gz OMXKOPXEWJHSBK-IHWYPQMZSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1cccc2c1CC[N@@H+](C/C=C\c1ccncc1)C2 ZINC000494964343 1120919847 /nfs/dbraw/zinc/91/98/47/1120919847.db2.gz OMXKOPXEWJHSBK-IHWYPQMZSA-N 1 2 329.241 3.916 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1c(F)cccc1F ZINC000171613967 1120942972 /nfs/dbraw/zinc/94/29/72/1120942972.db2.gz IMWXZMUZSPRJMO-SFHVURJKSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1c(F)cccc1F ZINC000171613967 1120942975 /nfs/dbraw/zinc/94/29/75/1120942975.db2.gz IMWXZMUZSPRJMO-SFHVURJKSA-N 1 2 328.362 3.538 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)cs1 ZINC000495072177 1120944623 /nfs/dbraw/zinc/94/46/23/1120944623.db2.gz CWDVZFUKTRQBKA-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)cs1 ZINC000495072177 1120944627 /nfs/dbraw/zinc/94/46/27/1120944627.db2.gz CWDVZFUKTRQBKA-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO Cc1cccc(C2(O)CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1C ZINC000761907350 1121007657 /nfs/dbraw/zinc/00/76/57/1121007657.db2.gz MBKNQSFGINYKAP-UHFFFAOYSA-N 1 2 325.456 3.507 20 0 EHADLO O=C(NCCCC1CCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303000208 1121113246 /nfs/dbraw/zinc/11/32/46/1121113246.db2.gz OBVJOFOSUGJHMJ-IBGZPJMESA-N 1 2 346.540 3.863 20 0 EHADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1Cc1ccccc1 ZINC000762146121 1121126099 /nfs/dbraw/zinc/12/60/99/1121126099.db2.gz UUWLOCVGIKPSJA-HNNXBMFYSA-N 1 2 342.512 3.993 20 0 EHADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1Cc1ccccc1 ZINC000762146121 1121126100 /nfs/dbraw/zinc/12/61/00/1121126100.db2.gz UUWLOCVGIKPSJA-HNNXBMFYSA-N 1 2 342.512 3.993 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000542556226 1121153609 /nfs/dbraw/zinc/15/36/09/1121153609.db2.gz BGVCKVCDTWINAM-SJLPKXTDSA-N 1 2 344.455 3.919 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000915279270 1121301623 /nfs/dbraw/zinc/30/16/23/1121301623.db2.gz UITKCAUDGQZXAO-SREVYHEPSA-N 1 2 349.478 3.937 20 0 EHADLO CC(C)c1cc(=O)oc2cc(OCc3cc[nH+]c(N(C)C)c3)ccc21 ZINC000762469645 1121314644 /nfs/dbraw/zinc/31/46/44/1121314644.db2.gz XXSPJPSQGYIODL-UHFFFAOYSA-N 1 2 338.407 3.956 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)no1 ZINC000053607127 1121323211 /nfs/dbraw/zinc/32/32/11/1121323211.db2.gz BSBRBTWSQFPKRJ-AWEZNQCLSA-N 1 2 348.878 3.725 20 0 EHADLO COc1ccccc1[C@H](Nc1[nH+]c2ccccc2n1C)c1nccn1C ZINC000762509935 1121334246 /nfs/dbraw/zinc/33/42/46/1121334246.db2.gz JWTXCRIJYOIZIW-SFHVURJKSA-N 1 2 347.422 3.517 20 0 EHADLO CCn1c[nH+]cc1CN1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000496065723 1121630185 /nfs/dbraw/zinc/63/01/85/1121630185.db2.gz JCFRCSQZUUWLGE-UHFFFAOYSA-N 1 2 342.443 3.665 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)c1[nH+]cnc2c1cnn2C ZINC000054124749 1121741034 /nfs/dbraw/zinc/74/10/34/1121741034.db2.gz ZYUPXHVSYYNIPC-UHFFFAOYSA-N 1 2 336.226 3.697 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2c2ccccc2)cs1 ZINC000054670149 1121772672 /nfs/dbraw/zinc/77/26/72/1121772672.db2.gz QHXHROADXRBQCQ-KRWDZBQOSA-N 1 2 329.469 3.853 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2c2ccccc2)cs1 ZINC000054670149 1121772678 /nfs/dbraw/zinc/77/26/78/1121772678.db2.gz QHXHROADXRBQCQ-KRWDZBQOSA-N 1 2 329.469 3.853 20 0 EHADLO Cc1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)on1 ZINC000055527092 1121845077 /nfs/dbraw/zinc/84/50/77/1121845077.db2.gz JJUHKYCYXTUONB-UHFFFAOYSA-N 1 2 335.407 3.624 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055661524 1121864036 /nfs/dbraw/zinc/86/40/36/1121864036.db2.gz GAFGBCGMIUDSOP-HXUWFJFHSA-N 1 2 331.419 3.657 20 0 EHADLO CN(CCCCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000194484956 1121921556 /nfs/dbraw/zinc/92/15/56/1121921556.db2.gz UJWIFEINUQOFOR-UHFFFAOYSA-N 1 2 340.471 3.548 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763330222 1121960746 /nfs/dbraw/zinc/96/07/46/1121960746.db2.gz AOMMMVFXQDUESJ-CYBMUJFWSA-N 1 2 334.876 3.746 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763330222 1121960753 /nfs/dbraw/zinc/96/07/53/1121960753.db2.gz AOMMMVFXQDUESJ-CYBMUJFWSA-N 1 2 334.876 3.746 20 0 EHADLO C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000326594243 1121970416 /nfs/dbraw/zinc/97/04/16/1121970416.db2.gz DMRSYOWEBAVYNT-OAHLLOKOSA-N 1 2 334.423 3.747 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccsc1Cl)C2 ZINC000496363917 1122061103 /nfs/dbraw/zinc/06/11/03/1122061103.db2.gz PEVVPAXRVKCPDQ-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccsc1Cl)C2 ZINC000496363917 1122061110 /nfs/dbraw/zinc/06/11/10/1122061110.db2.gz PEVVPAXRVKCPDQ-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cccnc1Cl ZINC000496736307 1122168632 /nfs/dbraw/zinc/16/86/32/1122168632.db2.gz IVXAACUKYFQTJP-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2C[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000497018298 1122247047 /nfs/dbraw/zinc/24/70/47/1122247047.db2.gz PUKNLHSHGHTUFC-SMDDNHRTSA-N 1 2 325.478 3.502 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000497018298 1122247052 /nfs/dbraw/zinc/24/70/52/1122247052.db2.gz PUKNLHSHGHTUFC-SMDDNHRTSA-N 1 2 325.478 3.502 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)CCc2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000063559571 1122287055 /nfs/dbraw/zinc/28/70/55/1122287055.db2.gz PUEFMJGGWVCLTF-UHFFFAOYSA-N 1 2 344.430 3.584 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)CCc2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000063559571 1122287063 /nfs/dbraw/zinc/28/70/63/1122287063.db2.gz PUEFMJGGWVCLTF-UHFFFAOYSA-N 1 2 344.430 3.584 20 0 EHADLO Cc1[nH+]ccn1CCCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000124677528 1122292165 /nfs/dbraw/zinc/29/21/65/1122292165.db2.gz TUASYPHMOHIARV-UHFFFAOYSA-N 1 2 349.410 3.827 20 0 EHADLO C[C@H](C(=O)OCc1cncs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000154163188 1122342307 /nfs/dbraw/zinc/34/23/07/1122342307.db2.gz KKUYJMLIVXBHCV-OAHLLOKOSA-N 1 2 344.480 3.530 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126176950 1122391420 /nfs/dbraw/zinc/39/14/20/1122391420.db2.gz FAFXUIVLCUYDRS-LPHOPBHVSA-N 1 2 339.483 3.833 20 0 EHADLO Cc1nc(NC(=O)C[NH+]2CCCC2)sc1Cc1ccccc1Cl ZINC000916969734 1122426268 /nfs/dbraw/zinc/42/62/68/1122426268.db2.gz GGCOJQVGPOCUPV-UHFFFAOYSA-N 1 2 349.887 3.730 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000917040905 1122444286 /nfs/dbraw/zinc/44/42/86/1122444286.db2.gz XMHJEMQSDSTTID-CQSZACIVSA-N 1 2 342.405 3.653 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000917040905 1122444289 /nfs/dbraw/zinc/44/42/89/1122444289.db2.gz XMHJEMQSDSTTID-CQSZACIVSA-N 1 2 342.405 3.653 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000917040026 1122444416 /nfs/dbraw/zinc/44/44/16/1122444416.db2.gz PEIBAWKYFCUUEO-AWEZNQCLSA-N 1 2 340.471 3.504 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000917040026 1122444417 /nfs/dbraw/zinc/44/44/17/1122444417.db2.gz PEIBAWKYFCUUEO-AWEZNQCLSA-N 1 2 340.471 3.504 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000066562769 1122474741 /nfs/dbraw/zinc/47/47/41/1122474741.db2.gz AREVQFXYTDGGFL-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000066562769 1122474747 /nfs/dbraw/zinc/47/47/47/1122474747.db2.gz AREVQFXYTDGGFL-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000066828625 1122486261 /nfs/dbraw/zinc/48/62/61/1122486261.db2.gz YWKWOSJLUABPNX-GOSISDBHSA-N 1 2 326.419 3.871 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000066828625 1122486264 /nfs/dbraw/zinc/48/62/64/1122486264.db2.gz YWKWOSJLUABPNX-GOSISDBHSA-N 1 2 326.419 3.871 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc(F)cc(F)c1 ZINC000067562150 1122520950 /nfs/dbraw/zinc/52/09/50/1122520950.db2.gz LUUSTWJEPLLHAY-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000067680591 1122528480 /nfs/dbraw/zinc/52/84/80/1122528480.db2.gz UKSBLHNMLYKBOH-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO CC[N@H+](CC(C)C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917459237 1122608140 /nfs/dbraw/zinc/60/81/40/1122608140.db2.gz ZRUTZTLDPAIRHM-UHFFFAOYSA-N 1 2 336.435 3.818 20 0 EHADLO CC[N@@H+](CC(C)C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917459237 1122608142 /nfs/dbraw/zinc/60/81/42/1122608142.db2.gz ZRUTZTLDPAIRHM-UHFFFAOYSA-N 1 2 336.435 3.818 20 0 EHADLO O=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000917478196 1122613111 /nfs/dbraw/zinc/61/31/11/1122613111.db2.gz LKSPHYOCHCLBMT-LJQANCHMSA-N 1 2 349.434 3.558 20 0 EHADLO O=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000917478196 1122613117 /nfs/dbraw/zinc/61/31/17/1122613117.db2.gz LKSPHYOCHCLBMT-LJQANCHMSA-N 1 2 349.434 3.558 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000917534199 1122630818 /nfs/dbraw/zinc/63/08/18/1122630818.db2.gz XAJQJUYTXUKGBE-QPJJXVBHSA-N 1 2 336.479 3.590 20 0 EHADLO COc1ccc2c(C[NH2+][C@@H](C)c3c(F)cccc3F)cc(=O)oc2c1 ZINC000917938854 1122713774 /nfs/dbraw/zinc/71/37/74/1122713774.db2.gz KYKYPXJBQFXFJP-NSHDSACASA-N 1 2 345.345 3.931 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000129028832 1122719142 /nfs/dbraw/zinc/71/91/42/1122719142.db2.gz RDSHXGMEDBUHTE-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000129028832 1122719144 /nfs/dbraw/zinc/71/91/44/1122719144.db2.gz RDSHXGMEDBUHTE-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1csc(Cl)c1)C2 ZINC001142761682 1122747899 /nfs/dbraw/zinc/74/78/99/1122747899.db2.gz ARBGDEFXOKJKFX-NHYWBVRUSA-N 1 2 328.865 3.501 20 0 EHADLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1csc(Cl)c1)C2 ZINC001142761682 1122747901 /nfs/dbraw/zinc/74/79/01/1122747901.db2.gz ARBGDEFXOKJKFX-NHYWBVRUSA-N 1 2 328.865 3.501 20 0 EHADLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000918738690 1122902275 /nfs/dbraw/zinc/90/22/75/1122902275.db2.gz JJCAJHVVQAYRED-UHFFFAOYSA-N 1 2 334.419 3.617 20 0 EHADLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000918738690 1122902279 /nfs/dbraw/zinc/90/22/79/1122902279.db2.gz JJCAJHVVQAYRED-UHFFFAOYSA-N 1 2 334.419 3.617 20 0 EHADLO CSc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)s1 ZINC000556271300 1122908810 /nfs/dbraw/zinc/90/88/10/1122908810.db2.gz UGWRLPUPPLDSNY-UHFFFAOYSA-N 1 2 338.464 3.929 20 0 EHADLO CSc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)s1 ZINC000556271300 1122908811 /nfs/dbraw/zinc/90/88/11/1122908811.db2.gz UGWRLPUPPLDSNY-UHFFFAOYSA-N 1 2 338.464 3.929 20 0 EHADLO CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000556305587 1122923982 /nfs/dbraw/zinc/92/39/82/1122923982.db2.gz QQIPQFJOMWGJKP-UHFFFAOYSA-N 1 2 338.860 3.527 20 0 EHADLO CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127450983 1122935395 /nfs/dbraw/zinc/93/53/95/1122935395.db2.gz LSMRBOSGSGQRNQ-CQSZACIVSA-N 1 2 341.455 3.672 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127452973 1122941803 /nfs/dbraw/zinc/94/18/03/1122941803.db2.gz LZOOBECTUORQKE-UHFFFAOYSA-N 1 2 327.428 3.887 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccccc3Br)cn2c1 ZINC000556385769 1122958463 /nfs/dbraw/zinc/95/84/63/1122958463.db2.gz JAMBHNRTPYQSJM-UHFFFAOYSA-N 1 2 330.229 3.695 20 0 EHADLO CCS[C@H](C)c1noc(Cn2c[nH+]c(Cc3ccccc3)c2)n1 ZINC000919145310 1122986243 /nfs/dbraw/zinc/98/62/43/1122986243.db2.gz ZITHBCFJQOHAQS-CYBMUJFWSA-N 1 2 328.441 3.719 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000113950031 1129094287 /nfs/dbraw/zinc/09/42/87/1129094287.db2.gz RPKXEWGRDJGPPS-WCBMZHEXSA-N 1 2 346.456 3.618 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000556620466 1123063611 /nfs/dbraw/zinc/06/36/11/1123063611.db2.gz HVDCEBZCIADGPA-RTBURBONSA-N 1 2 348.450 3.717 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000131350973 1123088252 /nfs/dbraw/zinc/08/82/52/1123088252.db2.gz BBXMEVVNPBGSNX-HNNXBMFYSA-N 1 2 347.890 3.548 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000131350973 1123088256 /nfs/dbraw/zinc/08/82/56/1123088256.db2.gz BBXMEVVNPBGSNX-HNNXBMFYSA-N 1 2 347.890 3.548 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCCc4ccccc4C3)n2)cc1 ZINC000498903672 1123105106 /nfs/dbraw/zinc/10/51/06/1123105106.db2.gz AJGJYRBLHHAHNW-UHFFFAOYSA-N 1 2 333.435 3.803 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCCc4ccccc4C3)n2)cc1 ZINC000498903672 1123105109 /nfs/dbraw/zinc/10/51/09/1123105109.db2.gz AJGJYRBLHHAHNW-UHFFFAOYSA-N 1 2 333.435 3.803 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000131435993 1123106305 /nfs/dbraw/zinc/10/63/05/1123106305.db2.gz SGFLMUFOJGPKCZ-OAHLLOKOSA-N 1 2 345.874 3.922 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@H](C)c2c(F)cccc2F)CC12CCCCC2 ZINC000498922714 1123115034 /nfs/dbraw/zinc/11/50/34/1123115034.db2.gz MCUHFDZQNONESU-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@H](C)c2c(F)cccc2F)CC12CCCCC2 ZINC000498922714 1123115037 /nfs/dbraw/zinc/11/50/37/1123115037.db2.gz MCUHFDZQNONESU-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000131482541 1123119311 /nfs/dbraw/zinc/11/93/11/1123119311.db2.gz MWMHVFDMIUXWKT-UWJYYQICSA-N 1 2 345.446 3.962 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1c(C)noc1C)Cc1ccccc1Cl ZINC000672895684 1129099924 /nfs/dbraw/zinc/09/99/24/1129099924.db2.gz BEOFFPVVJMXYRL-LBPRGKRZSA-N 1 2 349.862 3.644 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1c(C)noc1C)Cc1ccccc1Cl ZINC000672895684 1129099927 /nfs/dbraw/zinc/09/99/27/1129099927.db2.gz BEOFFPVVJMXYRL-LBPRGKRZSA-N 1 2 349.862 3.644 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)ccc2[nH+]1 ZINC000556817786 1123138379 /nfs/dbraw/zinc/13/83/79/1123138379.db2.gz PGADMKNFZANDLD-INIZCTEOSA-N 1 2 335.407 3.926 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCC(C)CC1 ZINC000672891816 1129103029 /nfs/dbraw/zinc/10/30/29/1129103029.db2.gz SKFWQNVLFYDHIU-AEJJIKPWSA-N 1 2 339.483 3.955 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000556879200 1123168626 /nfs/dbraw/zinc/16/86/26/1123168626.db2.gz COIAXSLWQXGGSO-ZSYWTGECSA-N 1 2 333.472 3.515 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000132025684 1123196390 /nfs/dbraw/zinc/19/63/90/1123196390.db2.gz JBGDEIGNMFFVCT-CVEARBPZSA-N 1 2 328.481 3.757 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000132199591 1123209229 /nfs/dbraw/zinc/20/92/29/1123209229.db2.gz ZTRFMXHGSUEPPT-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000132199591 1123209232 /nfs/dbraw/zinc/20/92/32/1123209232.db2.gz ZTRFMXHGSUEPPT-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556943759 1123225740 /nfs/dbraw/zinc/22/57/40/1123225740.db2.gz PNLZRTLSYROOKG-JKSUJKDBSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556943759 1123225744 /nfs/dbraw/zinc/22/57/44/1123225744.db2.gz PNLZRTLSYROOKG-JKSUJKDBSA-N 1 2 338.854 3.777 20 0 EHADLO CCCOc1cccc2c(N[C@@H](C)CO[C@@H]3CCOC3)cc[nH+]c12 ZINC000499138990 1123243906 /nfs/dbraw/zinc/24/39/06/1123243906.db2.gz LGGBIGAOAGLEHR-LSDHHAIUSA-N 1 2 330.428 3.630 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OC(C)C)cc1)C2 ZINC000609312883 1123323534 /nfs/dbraw/zinc/32/35/34/1123323534.db2.gz OCBABNMNTJRXIO-UHFFFAOYSA-N 1 2 325.408 3.776 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OC(C)C)cc1)C2 ZINC000609312883 1123323536 /nfs/dbraw/zinc/32/35/36/1123323536.db2.gz OCBABNMNTJRXIO-UHFFFAOYSA-N 1 2 325.408 3.776 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(-c2cccs2)n1 ZINC000133605832 1123407376 /nfs/dbraw/zinc/40/73/76/1123407376.db2.gz SPLXVKLASCNZJH-UHFFFAOYSA-N 1 2 349.419 3.587 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000920768873 1123422456 /nfs/dbraw/zinc/42/24/56/1123422456.db2.gz WIZWOMMEPTVJRG-CQSZACIVSA-N 1 2 344.846 3.863 20 0 EHADLO C[N@H+](CN1c2ccccc2C(=O)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000921047314 1123458649 /nfs/dbraw/zinc/45/86/49/1123458649.db2.gz YVFZEYJRWHUQKH-UHFFFAOYSA-N 1 2 328.456 3.710 20 0 EHADLO C[N@@H+](CN1c2ccccc2C(=O)C1=O)C1CCC(C(C)(C)C)CC1 ZINC000921047314 1123458651 /nfs/dbraw/zinc/45/86/51/1123458651.db2.gz YVFZEYJRWHUQKH-UHFFFAOYSA-N 1 2 328.456 3.710 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 ZINC000921045877 1123458854 /nfs/dbraw/zinc/45/88/54/1123458854.db2.gz GRUDWZRLONWARU-UHFFFAOYSA-N 1 2 333.407 3.501 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 ZINC000921045877 1123458856 /nfs/dbraw/zinc/45/88/56/1123458856.db2.gz GRUDWZRLONWARU-UHFFFAOYSA-N 1 2 333.407 3.501 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccccc2)CCC1 ZINC000921152654 1123473258 /nfs/dbraw/zinc/47/32/58/1123473258.db2.gz XRXPGGNFQARPBW-UHFFFAOYSA-N 1 2 331.419 3.610 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921199380 1123477594 /nfs/dbraw/zinc/47/75/94/1123477594.db2.gz JBHUPYJWEVGFNT-MRXNPFEDSA-N 1 2 348.450 3.995 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc(Br)cn1 ZINC000921186301 1123480055 /nfs/dbraw/zinc/48/00/55/1123480055.db2.gz AYJKFXIHCHHWTN-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc(Br)cn1 ZINC000921186301 1123480056 /nfs/dbraw/zinc/48/00/56/1123480056.db2.gz AYJKFXIHCHHWTN-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO Cn1c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)nnc1-c1ccccc1 ZINC000134433377 1123522532 /nfs/dbraw/zinc/52/25/32/1123522532.db2.gz UQJVHWMQZSFCGZ-UHFFFAOYSA-N 1 2 348.425 3.911 20 0 EHADLO Cn1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nnc1-c1ccccc1 ZINC000134433377 1123522539 /nfs/dbraw/zinc/52/25/39/1123522539.db2.gz UQJVHWMQZSFCGZ-UHFFFAOYSA-N 1 2 348.425 3.911 20 0 EHADLO CCCCCC(C)(C)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921391781 1123535140 /nfs/dbraw/zinc/53/51/40/1123535140.db2.gz UBTCZRJOKOCIIN-UHFFFAOYSA-N 1 2 340.537 3.610 20 0 EHADLO CN(C)c1nc(N2CCCO[C@H](c3ccccc3)C2)[nH+]c2ccccc21 ZINC000649268815 1123543315 /nfs/dbraw/zinc/54/33/15/1123543315.db2.gz XEVDEQHKTPODCL-IBGZPJMESA-N 1 2 348.450 3.664 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OCC(C)C)CC2)c(C)n1C1CC1 ZINC000077395234 1123554527 /nfs/dbraw/zinc/55/45/27/1123554527.db2.gz JRFPVEKNAPHXLP-UHFFFAOYSA-N 1 2 332.488 3.760 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(Cl)c1 ZINC000134913061 1123564690 /nfs/dbraw/zinc/56/46/90/1123564690.db2.gz BJZXLGNMEJPJBW-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000135087855 1123580662 /nfs/dbraw/zinc/58/06/62/1123580662.db2.gz RKKBJRGLMBLJOE-KRWDZBQOSA-N 1 2 346.862 3.767 20 0 EHADLO Fc1cc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc(F)c1F ZINC000135092902 1123581505 /nfs/dbraw/zinc/58/15/05/1123581505.db2.gz DEVZELBMSKVVIV-UHFFFAOYSA-N 1 2 345.324 3.712 20 0 EHADLO Fc1cc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc(F)c1F ZINC000135092902 1123581508 /nfs/dbraw/zinc/58/15/08/1123581508.db2.gz DEVZELBMSKVVIV-UHFFFAOYSA-N 1 2 345.324 3.712 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000135098837 1123581950 /nfs/dbraw/zinc/58/19/50/1123581950.db2.gz IGCJGWLPJIZZSI-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000135098837 1123581953 /nfs/dbraw/zinc/58/19/53/1123581953.db2.gz IGCJGWLPJIZZSI-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1noc(C2CC2)c1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000135596285 1123630907 /nfs/dbraw/zinc/63/09/07/1123630907.db2.gz FOTVQUPWYXQUTO-RUDMXATFSA-N 1 2 334.379 3.698 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Oc2ccccc2)nc1 ZINC000136187083 1123674969 /nfs/dbraw/zinc/67/49/69/1123674969.db2.gz REYIRUDMURGOJP-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000136196822 1123675679 /nfs/dbraw/zinc/67/56/79/1123675679.db2.gz MLUIUHDGQNLKJR-UHFFFAOYSA-N 1 2 328.803 3.725 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000136196822 1123675683 /nfs/dbraw/zinc/67/56/83/1123675683.db2.gz MLUIUHDGQNLKJR-UHFFFAOYSA-N 1 2 328.803 3.725 20 0 EHADLO CC(C)CCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000079250519 1123681065 /nfs/dbraw/zinc/68/10/65/1123681065.db2.gz XWRMSWHKFXLCDU-CALCHBBNSA-N 1 2 347.503 3.854 20 0 EHADLO CC(C)CCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000079250519 1123681067 /nfs/dbraw/zinc/68/10/67/1123681067.db2.gz XWRMSWHKFXLCDU-CALCHBBNSA-N 1 2 347.503 3.854 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000136361952 1123689866 /nfs/dbraw/zinc/68/98/66/1123689866.db2.gz LWWOIAGCZBJQCC-CQSZACIVSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000136361952 1123689870 /nfs/dbraw/zinc/68/98/70/1123689870.db2.gz LWWOIAGCZBJQCC-CQSZACIVSA-N 1 2 344.484 3.611 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000079833046 1123727084 /nfs/dbraw/zinc/72/70/84/1123727084.db2.gz PBALFTNPMAKKJY-ZDUSSCGKSA-N 1 2 336.382 3.518 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000079833046 1123727087 /nfs/dbraw/zinc/72/70/87/1123727087.db2.gz PBALFTNPMAKKJY-ZDUSSCGKSA-N 1 2 336.382 3.518 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCCSCC1 ZINC000610160610 1123742125 /nfs/dbraw/zinc/74/21/25/1123742125.db2.gz CMLSPTMDBKUEKW-UHFFFAOYSA-N 1 2 344.480 3.972 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)NCCCn2cc[nH+]c2)c1C ZINC000080630096 1123759884 /nfs/dbraw/zinc/75/98/84/1123759884.db2.gz JCQPQLVSYCQXEK-LJQANCHMSA-N 1 2 340.471 3.827 20 0 EHADLO COc1cc(C[N@H+](C)Cc2coc(-c3cccs3)n2)ccc1O ZINC000080847403 1123766702 /nfs/dbraw/zinc/76/67/02/1123766702.db2.gz WAJDYEGXBYZCAR-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2coc(-c3cccs3)n2)ccc1O ZINC000080847403 1123766704 /nfs/dbraw/zinc/76/67/04/1123766704.db2.gz WAJDYEGXBYZCAR-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO CCCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179685778 1123824200 /nfs/dbraw/zinc/82/42/00/1123824200.db2.gz CRIPHOGSKGHIRC-UHFFFAOYSA-N 1 2 338.879 3.564 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543041361 1129147841 /nfs/dbraw/zinc/14/78/41/1129147841.db2.gz NFDKTGRXVMWISK-HKUYNNGSSA-N 1 2 346.519 3.911 20 0 EHADLO CCSc1nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(=S)s1 ZINC000842637831 1123828741 /nfs/dbraw/zinc/82/87/41/1123828741.db2.gz SUOSYIFZYSNKNI-NSHDSACASA-N 1 2 345.559 3.635 20 0 EHADLO CCSc1nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c(=S)s1 ZINC000842637831 1123828748 /nfs/dbraw/zinc/82/87/48/1123828748.db2.gz SUOSYIFZYSNKNI-NSHDSACASA-N 1 2 345.559 3.635 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000245457718 1123835147 /nfs/dbraw/zinc/83/51/47/1123835147.db2.gz UKZCTJSWBMWGKI-OLZOCXBDSA-N 1 2 326.893 3.803 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000245457718 1123835152 /nfs/dbraw/zinc/83/51/52/1123835152.db2.gz UKZCTJSWBMWGKI-OLZOCXBDSA-N 1 2 326.893 3.803 20 0 EHADLO CCC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C[C@H]1CCCCO1 ZINC000245496726 1123849030 /nfs/dbraw/zinc/84/90/30/1123849030.db2.gz RZSROEBUBGMIPF-HZPDHXFCSA-N 1 2 339.480 3.584 20 0 EHADLO CCC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C[C@H]1CCCCO1 ZINC000245496726 1123849037 /nfs/dbraw/zinc/84/90/37/1123849037.db2.gz RZSROEBUBGMIPF-HZPDHXFCSA-N 1 2 339.480 3.584 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)NCCCCn2cc[nH+]c2)c(C)c1 ZINC000615907479 1123905678 /nfs/dbraw/zinc/90/56/78/1123905678.db2.gz LDLZEWQGSBDDAH-KRWDZBQOSA-N 1 2 328.460 3.683 20 0 EHADLO C[C@H]1CC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H](C)C1 ZINC000543045392 1129155567 /nfs/dbraw/zinc/15/55/67/1129155567.db2.gz LPYFFVZQDCXWCA-IAGOWNOFSA-N 1 2 346.519 3.910 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616281304 1123973661 /nfs/dbraw/zinc/97/36/61/1123973661.db2.gz HYPJGOIVVHLIOA-IKLKHMQRSA-N 1 2 337.467 3.612 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](c2ccccc2)C1 ZINC000616281303 1123973890 /nfs/dbraw/zinc/97/38/90/1123973890.db2.gz HYPJGOIVVHLIOA-GPFWEFOESA-N 1 2 337.467 3.612 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCOC[C@@H]1CCCO1 ZINC000616303387 1123980089 /nfs/dbraw/zinc/98/00/89/1123980089.db2.gz MZXJKARXBDNZTJ-SFHVURJKSA-N 1 2 332.469 3.610 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328406 1123983089 /nfs/dbraw/zinc/98/30/89/1123983089.db2.gz KSCHFHSPHSNBCE-HOJAQTOUSA-N 1 2 337.467 3.630 20 0 EHADLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000543063083 1129176857 /nfs/dbraw/zinc/17/68/57/1129176857.db2.gz OBMFSXQMKGSOMO-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000543063083 1129176861 /nfs/dbraw/zinc/17/68/61/1129176861.db2.gz OBMFSXQMKGSOMO-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3oc(C(C)C)nc3c2)c[nH+]1 ZINC000825287188 1131263539 /nfs/dbraw/zinc/26/35/39/1131263539.db2.gz WHXCHKPKMHZSHS-UHFFFAOYSA-N 1 2 326.400 3.830 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC(c2ccco2)CC1 ZINC000617386128 1124510623 /nfs/dbraw/zinc/51/06/23/1124510623.db2.gz WYXCCXWRUAXLPF-GOSISDBHSA-N 1 2 349.434 3.931 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)CCc3ccccc3F)no2)cc1 ZINC000069251439 1124600159 /nfs/dbraw/zinc/60/01/59/1124600159.db2.gz QKMWHXMKHXNEIB-UHFFFAOYSA-N 1 2 341.386 3.559 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3F)no2)cc1 ZINC000069251439 1124600163 /nfs/dbraw/zinc/60/01/63/1124600163.db2.gz QKMWHXMKHXNEIB-UHFFFAOYSA-N 1 2 341.386 3.559 20 0 EHADLO C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000617515542 1124621040 /nfs/dbraw/zinc/62/10/40/1124621040.db2.gz GGHXFUFSMRCCST-GOSISDBHSA-N 1 2 331.847 3.620 20 0 EHADLO c1sc([C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1[C@H]1CCCOC1 ZINC000249042030 1124730235 /nfs/dbraw/zinc/73/02/35/1124730235.db2.gz VEHQLXAYULTCKD-FUHWJXTLSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1[C@H]1CCCOC1 ZINC000249042030 1124730240 /nfs/dbraw/zinc/73/02/40/1124730240.db2.gz VEHQLXAYULTCKD-FUHWJXTLSA-N 1 2 344.480 3.611 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249300357 1124751208 /nfs/dbraw/zinc/75/12/08/1124751208.db2.gz DIOJMLNVOWNXDL-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249300357 1124751212 /nfs/dbraw/zinc/75/12/12/1124751212.db2.gz DIOJMLNVOWNXDL-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO CCCc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n[nH]1 ZINC000618030045 1124922237 /nfs/dbraw/zinc/92/22/37/1124922237.db2.gz ZCWTZWLQBPXENR-UHFFFAOYSA-N 1 2 349.438 3.814 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000253476743 1125164471 /nfs/dbraw/zinc/16/44/71/1125164471.db2.gz BDKLCWJTJCPLKP-QGZVFWFLSA-N 1 2 346.519 3.773 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000615322659 1125208518 /nfs/dbraw/zinc/20/85/18/1125208518.db2.gz UUDVHHMSFJDTIO-BFHYXJOUSA-N 1 2 329.831 3.578 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093458164 1125254659 /nfs/dbraw/zinc/25/46/59/1125254659.db2.gz HRFZIKYLBGXUNO-HXUWFJFHSA-N 1 2 328.456 3.813 20 0 EHADLO CC(C)CCn1cccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093458164 1125254664 /nfs/dbraw/zinc/25/46/64/1125254664.db2.gz HRFZIKYLBGXUNO-HXUWFJFHSA-N 1 2 328.456 3.813 20 0 EHADLO Cc1cccn2c(CN3CCO[C@@H](c4ccc(F)c(C)c4)C3)c[nH+]c12 ZINC000093637595 1125279083 /nfs/dbraw/zinc/27/90/83/1125279083.db2.gz WZKOOEDCMUYXDO-LJQANCHMSA-N 1 2 339.414 3.664 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1OC ZINC000093637559 1125279257 /nfs/dbraw/zinc/27/92/57/1125279257.db2.gz GLNCNSKTQGFVJY-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1OC ZINC000093637559 1125279262 /nfs/dbraw/zinc/27/92/62/1125279262.db2.gz GLNCNSKTQGFVJY-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO OC[C@@]1([N@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)CCOC1 ZINC000670987032 1125301901 /nfs/dbraw/zinc/30/19/01/1125301901.db2.gz LCOMPZAIYQQTJZ-IBGZPJMESA-N 1 2 349.833 3.633 20 0 EHADLO OC[C@@]1([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)CCOC1 ZINC000670987032 1125301909 /nfs/dbraw/zinc/30/19/09/1125301909.db2.gz LCOMPZAIYQQTJZ-IBGZPJMESA-N 1 2 349.833 3.633 20 0 EHADLO C[C@@](CO)([NH2+]C/C(Cl)=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000763562660 1125332400 /nfs/dbraw/zinc/33/24/00/1125332400.db2.gz OCEOBJBSAYCBOW-DSDFTUOUSA-N 1 2 328.161 3.822 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000619423984 1125347133 /nfs/dbraw/zinc/34/71/33/1125347133.db2.gz PVGQGABRWONXDM-UHFFFAOYSA-N 1 2 334.847 3.769 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000619423984 1125347134 /nfs/dbraw/zinc/34/71/34/1125347134.db2.gz PVGQGABRWONXDM-UHFFFAOYSA-N 1 2 334.847 3.769 20 0 EHADLO O=C(Cc1cc2ccccc2o1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000619523887 1125356685 /nfs/dbraw/zinc/35/66/85/1125356685.db2.gz PMIDIQNMPZBEHZ-UHFFFAOYSA-N 1 2 345.402 3.537 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000619913674 1125431390 /nfs/dbraw/zinc/43/13/90/1125431390.db2.gz OIAFLKVLSPGAKK-MAUKXSAKSA-N 1 2 341.430 3.866 20 0 EHADLO CC(C)Oc1cc(C[N@H+](Cc2cnc3ccccn23)C2CC2)ccn1 ZINC000163135821 1125447993 /nfs/dbraw/zinc/44/79/93/1125447993.db2.gz PASKKUQYOZRDDS-UHFFFAOYSA-N 1 2 336.439 3.681 20 0 EHADLO CC(C)Oc1cc(C[N@@H+](Cc2cnc3ccccn23)C2CC2)ccn1 ZINC000163135821 1125447996 /nfs/dbraw/zinc/44/79/96/1125447996.db2.gz PASKKUQYOZRDDS-UHFFFAOYSA-N 1 2 336.439 3.681 20 0 EHADLO Cc1cccc(C)c1OCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000068938869 1129264851 /nfs/dbraw/zinc/26/48/51/1129264851.db2.gz OXQCXNWAYWQFLD-MRXNPFEDSA-N 1 2 339.439 3.525 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N(CC1CCCCC1)C1CC1 ZINC000079619866 1129281388 /nfs/dbraw/zinc/28/13/88/1129281388.db2.gz PBMKYFNXZCMAIF-UHFFFAOYSA-N 1 2 344.503 3.516 20 0 EHADLO Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)cc[nH+]1 ZINC000499668814 1129284846 /nfs/dbraw/zinc/28/48/46/1129284846.db2.gz FWCTYBJBRUYYIZ-UHFFFAOYSA-N 1 2 327.236 3.850 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000079876620 1129303447 /nfs/dbraw/zinc/30/34/47/1129303447.db2.gz QWIRIIHUDHNUDX-SFHVURJKSA-N 1 2 340.471 3.727 20 0 EHADLO C/C(=C\C(=O)NCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000172922076 1129363436 /nfs/dbraw/zinc/36/34/36/1129363436.db2.gz DRHBSFOCAPMAMC-ACCUITESSA-N 1 2 337.345 3.512 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000080775353 1129379791 /nfs/dbraw/zinc/37/97/91/1129379791.db2.gz UMJNNWAGOREJIG-OALUTQOASA-N 1 2 325.456 3.766 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282344132 1129400509 /nfs/dbraw/zinc/40/05/09/1129400509.db2.gz OUGPTTHHLHMOTJ-QGZVFWFLSA-N 1 2 339.483 3.672 20 0 EHADLO OC[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc(Cl)c1Cl ZINC000922260643 1129408720 /nfs/dbraw/zinc/40/87/20/1129408720.db2.gz LAVIWWLXSIWQDP-OAHLLOKOSA-N 1 2 340.254 3.738 20 0 EHADLO CCCCS[C@@H](C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081317492 1129413053 /nfs/dbraw/zinc/41/30/53/1129413053.db2.gz CPUQWKMNDZRWIY-DOTOQJQBSA-N 1 2 345.512 3.742 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000069394367 1129447509 /nfs/dbraw/zinc/44/75/09/1129447509.db2.gz CASDIIZHEKYSRR-MRXNPFEDSA-N 1 2 333.435 3.855 20 0 EHADLO CCc1cc(N2CCC[C@@H]2Cn2c(C)nc3ccccc32)nc(C)[nH+]1 ZINC000359727224 1129483155 /nfs/dbraw/zinc/48/31/55/1129483155.db2.gz BBLPABPFYFVFSJ-QGZVFWFLSA-N 1 2 335.455 3.675 20 0 EHADLO O=C(Cc1ccccc1OC(F)F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000118324543 1129504515 /nfs/dbraw/zinc/50/45/15/1129504515.db2.gz AUODDFMJZJHVSW-UHFFFAOYSA-N 1 2 343.333 3.859 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000118421439 1129508202 /nfs/dbraw/zinc/50/82/02/1129508202.db2.gz FNBWYUMLHSGYMI-KUHUBIRLSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000118421439 1129508205 /nfs/dbraw/zinc/50/82/05/1129508205.db2.gz FNBWYUMLHSGYMI-KUHUBIRLSA-N 1 2 344.455 3.943 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3cccc(Cl)c3C1)[C@@H]2C ZINC001168726435 1129531112 /nfs/dbraw/zinc/53/11/12/1129531112.db2.gz JLQIQSYLBLQZLD-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)[C@@H]2C ZINC001168726435 1129531115 /nfs/dbraw/zinc/53/11/15/1129531115.db2.gz JLQIQSYLBLQZLD-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO FC(F)SCc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)o1 ZINC000922470133 1129540515 /nfs/dbraw/zinc/54/05/15/1129540515.db2.gz MROOLZDLOHNVKI-UHFFFAOYSA-N 1 2 330.425 3.970 20 0 EHADLO CN(C)c1ccnc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000922482021 1129544252 /nfs/dbraw/zinc/54/42/52/1129544252.db2.gz FMVLKTGBFOQBRN-UHFFFAOYSA-N 1 2 327.325 3.595 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186539293 1129565437 /nfs/dbraw/zinc/56/54/37/1129565437.db2.gz RCQJNYOIPVJHQA-CTNGQTDRSA-N 1 2 343.515 3.520 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC(C)C ZINC000922582873 1129582137 /nfs/dbraw/zinc/58/21/37/1129582137.db2.gz OHJKXOJBGUAFSS-SFHVURJKSA-N 1 2 327.428 3.513 20 0 EHADLO CCCOc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC ZINC000922583951 1129583108 /nfs/dbraw/zinc/58/31/08/1129583108.db2.gz YHSKJMZJGCSHIR-GOSISDBHSA-N 1 2 327.428 3.515 20 0 EHADLO COC(=O)c1cnoc1C[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000508977539 1129608340 /nfs/dbraw/zinc/60/83/40/1129608340.db2.gz MKPGOXXMRGBXDU-LJQANCHMSA-N 1 2 342.439 3.901 20 0 EHADLO COc1nccc(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)n1 ZINC000922669683 1129620699 /nfs/dbraw/zinc/62/06/99/1129620699.db2.gz LVLIMBPICFCZJH-MRVPVSSYSA-N 1 2 330.190 3.782 20 0 EHADLO c1ccc(-c2ncc(C[NH2+]Cc3nc4c(s3)CCCC4)cn2)cc1 ZINC000922700227 1129631379 /nfs/dbraw/zinc/63/13/79/1129631379.db2.gz ITKNTUXMVJMRIR-UHFFFAOYSA-N 1 2 336.464 3.769 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1cc(C)ccc1OC(F)F ZINC000428951437 1129634838 /nfs/dbraw/zinc/63/48/38/1129634838.db2.gz JNXDDCTZEFIIRY-UHFFFAOYSA-N 1 2 342.411 3.702 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1cc(C)ccc1OC(F)F ZINC000428951437 1129634840 /nfs/dbraw/zinc/63/48/40/1129634840.db2.gz JNXDDCTZEFIIRY-UHFFFAOYSA-N 1 2 342.411 3.702 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509038974 1129687526 /nfs/dbraw/zinc/68/75/26/1129687526.db2.gz PJVVTXCRSPECBH-HZPDHXFCSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509038974 1129687528 /nfs/dbraw/zinc/68/75/28/1129687528.db2.gz PJVVTXCRSPECBH-HZPDHXFCSA-N 1 2 325.456 3.514 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000282395459 1129689542 /nfs/dbraw/zinc/68/95/42/1129689542.db2.gz DXMJISXCOLWLOR-SNVBAGLBSA-N 1 2 345.390 3.937 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000282395459 1129689543 /nfs/dbraw/zinc/68/95/43/1129689543.db2.gz DXMJISXCOLWLOR-SNVBAGLBSA-N 1 2 345.390 3.937 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cc1ccncc1Br ZINC000625056014 1129718011 /nfs/dbraw/zinc/71/80/11/1129718011.db2.gz BOSXFLLXVSLEFY-UHFFFAOYSA-N 1 2 335.245 3.745 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cc1ccncc1Br ZINC000625056014 1129718013 /nfs/dbraw/zinc/71/80/13/1129718013.db2.gz BOSXFLLXVSLEFY-UHFFFAOYSA-N 1 2 335.245 3.745 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000429052027 1129726491 /nfs/dbraw/zinc/72/64/91/1129726491.db2.gz JCULNJWUORXSTP-UHFFFAOYSA-N 1 2 333.435 3.820 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625193248 1129757944 /nfs/dbraw/zinc/75/79/44/1129757944.db2.gz JGBFXYVJXWBFHS-INIZCTEOSA-N 1 2 335.407 3.998 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625276603 1129798582 /nfs/dbraw/zinc/79/85/82/1129798582.db2.gz OFDUYZMGGBLQSD-QZTJIDSGSA-N 1 2 341.430 3.723 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4cccc(F)c4o3)[nH+]c12 ZINC000673723929 1129811532 /nfs/dbraw/zinc/81/15/32/1129811532.db2.gz GRJZWMHVMBWUSF-UHFFFAOYSA-N 1 2 337.354 3.501 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C(F)F)cc3)[nH+]c12 ZINC000673723891 1129811644 /nfs/dbraw/zinc/81/16/44/1129811644.db2.gz GDABJCZZKKFMGJ-UHFFFAOYSA-N 1 2 329.350 3.553 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726401 1129812374 /nfs/dbraw/zinc/81/23/74/1129812374.db2.gz WAPIGDXRUPEQQP-QGZVFWFLSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccccc3Cl)[nH+]c12 ZINC000673758463 1129834862 /nfs/dbraw/zinc/83/48/62/1129834862.db2.gz QPIJYLLHAKNZSX-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO CCc1ccccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282443101 1129844359 /nfs/dbraw/zinc/84/43/59/1129844359.db2.gz VAOCQHBOXZYGOA-KRWDZBQOSA-N 1 2 337.467 3.802 20 0 EHADLO Brc1cnccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000625430205 1129868760 /nfs/dbraw/zinc/86/87/60/1129868760.db2.gz JPXQCDYVJDZVQG-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cnccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000625430205 1129868768 /nfs/dbraw/zinc/86/87/68/1129868768.db2.gz JPXQCDYVJDZVQG-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000429149475 1129869082 /nfs/dbraw/zinc/86/90/82/1129869082.db2.gz GDVCGSVVFQKDEQ-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000429149475 1129869086 /nfs/dbraw/zinc/86/90/86/1129869086.db2.gz GDVCGSVVFQKDEQ-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000347831789 1129900451 /nfs/dbraw/zinc/90/04/51/1129900451.db2.gz OITCCPTZRPGPEN-TZMCWYRMSA-N 1 2 337.345 3.594 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000455651142 1129905683 /nfs/dbraw/zinc/90/56/83/1129905683.db2.gz NXLGXBLTUROMOB-YYIAUSFCSA-N 1 2 332.492 3.524 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000543505912 1129908590 /nfs/dbraw/zinc/90/85/90/1129908590.db2.gz UOGWYGDISTYBOY-KGLIPLIRSA-N 1 2 325.416 3.926 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccncc2Br)CC2CC2)cn1 ZINC000625505881 1129910004 /nfs/dbraw/zinc/91/00/04/1129910004.db2.gz GUITZFYMYKAJMG-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccncc2Br)CC2CC2)cn1 ZINC000625505881 1129910005 /nfs/dbraw/zinc/91/00/05/1129910005.db2.gz GUITZFYMYKAJMG-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673980767 1129931820 /nfs/dbraw/zinc/93/18/20/1129931820.db2.gz WLSXCQFHOBUODT-AEFFLSMTSA-N 1 2 342.487 3.782 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429185152 1129937431 /nfs/dbraw/zinc/93/74/31/1129937431.db2.gz VBZUWNZEQMONFC-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429185152 1129937434 /nfs/dbraw/zinc/93/74/34/1129937434.db2.gz VBZUWNZEQMONFC-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Cl)ccc1OC(F)F ZINC000673991011 1129942697 /nfs/dbraw/zinc/94/26/97/1129942697.db2.gz GIZHQBUMIFTBOF-UHFFFAOYSA-N 1 2 337.713 3.841 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000543542987 1129953815 /nfs/dbraw/zinc/95/38/15/1129953815.db2.gz RKFFRKVTROIBCS-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010409 1129957244 /nfs/dbraw/zinc/95/72/44/1129957244.db2.gz RHQQGKUPIPNBOX-IBGZPJMESA-N 1 2 344.405 3.760 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010409 1129957246 /nfs/dbraw/zinc/95/72/46/1129957246.db2.gz RHQQGKUPIPNBOX-IBGZPJMESA-N 1 2 344.405 3.760 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000674012140 1129959167 /nfs/dbraw/zinc/95/91/67/1129959167.db2.gz YMPQRMYDDAOEBN-GUXCAODWSA-N 1 2 340.442 3.881 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000674012140 1129959170 /nfs/dbraw/zinc/95/91/70/1129959170.db2.gz YMPQRMYDDAOEBN-GUXCAODWSA-N 1 2 340.442 3.881 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012997 1129959826 /nfs/dbraw/zinc/95/98/26/1129959826.db2.gz IUYBMBBABGNHTB-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012997 1129959829 /nfs/dbraw/zinc/95/98/29/1129959829.db2.gz IUYBMBBABGNHTB-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cscc1Br ZINC000347877096 1129962857 /nfs/dbraw/zinc/96/28/57/1129962857.db2.gz ZETHKUOTKTTXNX-HNNXBMFYSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cscc1Br ZINC000347877096 1129962861 /nfs/dbraw/zinc/96/28/61/1129962861.db2.gz ZETHKUOTKTTXNX-HNNXBMFYSA-N 1 2 338.270 3.602 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644099 1129966242 /nfs/dbraw/zinc/96/62/42/1129966242.db2.gz AFJPLWFIIKFVEK-AVGNSLFASA-N 1 2 342.455 3.959 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cs1 ZINC000625660194 1129972511 /nfs/dbraw/zinc/97/25/11/1129972511.db2.gz WPJUNPQUMKXRGV-CYBMUJFWSA-N 1 2 338.423 3.947 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cs1 ZINC000625660194 1129972514 /nfs/dbraw/zinc/97/25/14/1129972514.db2.gz WPJUNPQUMKXRGV-CYBMUJFWSA-N 1 2 338.423 3.947 20 0 EHADLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)NC1CCCCCC1 ZINC000429211159 1129980123 /nfs/dbraw/zinc/98/01/23/1129980123.db2.gz DFXUCNMYPBKNDT-UHFFFAOYSA-N 1 2 349.906 3.753 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000674090211 1130001170 /nfs/dbraw/zinc/00/11/70/1130001170.db2.gz WKEDHEOFAVVKMI-GOSISDBHSA-N 1 2 344.842 3.764 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128620255 1130006741 /nfs/dbraw/zinc/00/67/41/1130006741.db2.gz MSVBJWLEUBGPFC-GOSISDBHSA-N 1 2 348.402 3.944 20 0 EHADLO CCOc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000172036419 1130101408 /nfs/dbraw/zinc/10/14/08/1130101408.db2.gz QCSSFHVTAUZYPN-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO COc1ccc(COCC[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000674505547 1130111928 /nfs/dbraw/zinc/11/19/28/1130111928.db2.gz MOFYHPJNJBGQBM-UHFFFAOYSA-N 1 2 333.378 3.548 20 0 EHADLO COc1ccc(COCC[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000674505547 1130111931 /nfs/dbraw/zinc/11/19/31/1130111931.db2.gz MOFYHPJNJBGQBM-UHFFFAOYSA-N 1 2 333.378 3.548 20 0 EHADLO CC[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccccc1C ZINC000674569261 1130135131 /nfs/dbraw/zinc/13/51/31/1130135131.db2.gz VTJQLWUQHVULHG-MRXNPFEDSA-N 1 2 338.411 3.622 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000172461203 1130137072 /nfs/dbraw/zinc/13/70/72/1130137072.db2.gz XUASIRLTCKAZJU-CYBMUJFWSA-N 1 2 325.437 3.603 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cs1 ZINC000674753848 1130187654 /nfs/dbraw/zinc/18/76/54/1130187654.db2.gz RGLKMZBLXKNOBM-CYBMUJFWSA-N 1 2 347.484 3.748 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674792223 1130195363 /nfs/dbraw/zinc/19/53/63/1130195363.db2.gz PIFQXJQIIDEBHP-HOCLYGCPSA-N 1 2 347.459 3.614 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000674864610 1130211846 /nfs/dbraw/zinc/21/18/46/1130211846.db2.gz APJLEVJUHXNWLQ-IFXJQAMLSA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000674864610 1130211853 /nfs/dbraw/zinc/21/18/53/1130211853.db2.gz APJLEVJUHXNWLQ-IFXJQAMLSA-N 1 2 330.403 3.581 20 0 EHADLO CCCCc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675255839 1130298918 /nfs/dbraw/zinc/29/89/18/1130298918.db2.gz SXUXZLAFYLAFLI-QFBILLFUSA-N 1 2 325.456 3.949 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321605 1130310061 /nfs/dbraw/zinc/31/00/61/1130310061.db2.gz BRDPAMKWFIHKIR-BXKDBHETSA-N 1 2 342.226 3.899 20 0 EHADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321605 1130310067 /nfs/dbraw/zinc/31/00/67/1130310067.db2.gz BRDPAMKWFIHKIR-BXKDBHETSA-N 1 2 342.226 3.899 20 0 EHADLO CCOc1c(F)cccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001212534317 1130310354 /nfs/dbraw/zinc/31/03/54/1130310354.db2.gz LAEJIUABMZVOLH-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO O=C1CC2(CC2)CN1C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001117940972 1130326959 /nfs/dbraw/zinc/32/69/59/1130326959.db2.gz XLUZGCUCVCZWEE-OAHLLOKOSA-N 1 2 349.272 3.556 20 0 EHADLO O=C1CC2(CC2)CN1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001117940972 1130326965 /nfs/dbraw/zinc/32/69/65/1130326965.db2.gz XLUZGCUCVCZWEE-OAHLLOKOSA-N 1 2 349.272 3.556 20 0 EHADLO c1sc(-c2ccccn2)nc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976701 1130514539 /nfs/dbraw/zinc/51/45/39/1130514539.db2.gz QNYQIRIXGWABEQ-UHFFFAOYSA-N 1 2 347.447 3.681 20 0 EHADLO CC(C)C(NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000676298491 1130558943 /nfs/dbraw/zinc/55/89/43/1130558943.db2.gz YKQMLQRTKPFMOD-KRWDZBQOSA-N 1 2 342.487 3.684 20 0 EHADLO FC1(F)CN(c2cc(N3CCCCC3)[nH+]cn2)Cc2ccccc21 ZINC000676352629 1130568217 /nfs/dbraw/zinc/56/82/17/1130568217.db2.gz GWNNBGAHJNYETO-UHFFFAOYSA-N 1 2 330.382 3.579 20 0 EHADLO FC1(F)CN(c2cc(N3CCCCC3)nc[nH+]2)Cc2ccccc21 ZINC000676352629 1130568222 /nfs/dbraw/zinc/56/82/22/1130568222.db2.gz GWNNBGAHJNYETO-UHFFFAOYSA-N 1 2 330.382 3.579 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1 ZINC000733901962 1130617239 /nfs/dbraw/zinc/61/72/39/1130617239.db2.gz JKQBCESCLOBFMU-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3ccccc3C2)C1 ZINC000728038944 1130619818 /nfs/dbraw/zinc/61/98/18/1130619818.db2.gz BQRPHELWGHMARA-HNNXBMFYSA-N 1 2 342.508 3.831 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3ccccc3C2)C1 ZINC000728038944 1130619821 /nfs/dbraw/zinc/61/98/21/1130619821.db2.gz BQRPHELWGHMARA-HNNXBMFYSA-N 1 2 342.508 3.831 20 0 EHADLO CCc1ccc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)cc1 ZINC000728040638 1130620315 /nfs/dbraw/zinc/62/03/15/1130620315.db2.gz FPKGEZVBIAHYMO-CQSZACIVSA-N 1 2 330.497 3.687 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)cc1 ZINC000728040638 1130620318 /nfs/dbraw/zinc/62/03/18/1130620318.db2.gz FPKGEZVBIAHYMO-CQSZACIVSA-N 1 2 330.497 3.687 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000288083164 1130632295 /nfs/dbraw/zinc/63/22/95/1130632295.db2.gz NRYSDKPDUQITIQ-MAUKXSAKSA-N 1 2 334.423 3.627 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000729985405 1130662595 /nfs/dbraw/zinc/66/25/95/1130662595.db2.gz GOQSINQKEVSTCI-ZDUSSCGKSA-N 1 2 345.830 3.717 20 0 EHADLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1csc2ccccc21 ZINC000730063875 1130668619 /nfs/dbraw/zinc/66/86/19/1130668619.db2.gz LTUIRXUVJHRAJQ-CYBMUJFWSA-N 1 2 340.452 3.769 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000730544525 1130718843 /nfs/dbraw/zinc/71/88/43/1130718843.db2.gz VGNKZKAWTMOCEL-VIFPVBQESA-N 1 2 343.424 3.806 20 0 EHADLO Cc1ccc(-c2cc(CO[NH+]=C(N)Cc3cccs3)on2)cc1 ZINC000731028772 1130762523 /nfs/dbraw/zinc/76/25/23/1130762523.db2.gz IXOOUIPMZZHPRZ-UHFFFAOYSA-N 1 2 327.409 3.953 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660786 1130825382 /nfs/dbraw/zinc/82/53/82/1130825382.db2.gz UMERORMKVAAWIK-UWJYYQICSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660786 1130825390 /nfs/dbraw/zinc/82/53/90/1130825390.db2.gz UMERORMKVAAWIK-UWJYYQICSA-N 1 2 333.435 3.970 20 0 EHADLO CCC/C(C)=C\C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732138893 1130890053 /nfs/dbraw/zinc/89/00/53/1130890053.db2.gz RIZDJYYXKROOQZ-SZGZABIGSA-N 1 2 336.426 3.792 20 0 EHADLO CCC/C(C)=C\C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732138893 1130890058 /nfs/dbraw/zinc/89/00/58/1130890058.db2.gz RIZDJYYXKROOQZ-SZGZABIGSA-N 1 2 336.426 3.792 20 0 EHADLO CC[C@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H](C)O1 ZINC000732186350 1130895443 /nfs/dbraw/zinc/89/54/43/1130895443.db2.gz SQXLYLNDQMXPJM-NEPJUHHUSA-N 1 2 341.427 3.808 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H](C)O1 ZINC000732186350 1130895450 /nfs/dbraw/zinc/89/54/50/1130895450.db2.gz SQXLYLNDQMXPJM-NEPJUHHUSA-N 1 2 341.427 3.808 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000732551231 1130935919 /nfs/dbraw/zinc/93/59/19/1130935919.db2.gz GCSXYJCEXJVUQS-AWEZNQCLSA-N 1 2 331.485 3.802 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987496 1130979638 /nfs/dbraw/zinc/97/96/38/1130979638.db2.gz WMKMRGNGOMBGTJ-ORAYPTAESA-N 1 2 348.437 3.891 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987496 1130979642 /nfs/dbraw/zinc/97/96/42/1130979642.db2.gz WMKMRGNGOMBGTJ-ORAYPTAESA-N 1 2 348.437 3.891 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NCc1ccc(F)cc1 ZINC000732986438 1130979654 /nfs/dbraw/zinc/97/96/54/1130979654.db2.gz LQHWZYNXUXUWEZ-SFHVURJKSA-N 1 2 348.368 3.557 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NCc1ccc(F)cc1 ZINC000732986438 1130979659 /nfs/dbraw/zinc/97/96/59/1130979659.db2.gz LQHWZYNXUXUWEZ-SFHVURJKSA-N 1 2 348.368 3.557 20 0 EHADLO CCCCSCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000733739382 1131073385 /nfs/dbraw/zinc/07/33/85/1131073385.db2.gz NVHQMVOUBUEIQR-UHFFFAOYSA-N 1 2 347.484 3.602 20 0 EHADLO CC(C)[N@H+](C)Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282572834 1131102393 /nfs/dbraw/zinc/10/23/93/1131102393.db2.gz YZTIXCZYHKDINZ-CYBMUJFWSA-N 1 2 331.313 3.988 20 0 EHADLO CC(C)[N@@H+](C)Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282572834 1131102397 /nfs/dbraw/zinc/10/23/97/1131102397.db2.gz YZTIXCZYHKDINZ-CYBMUJFWSA-N 1 2 331.313 3.988 20 0 EHADLO COc1coc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1=O ZINC000348006555 1131126042 /nfs/dbraw/zinc/12/60/42/1131126042.db2.gz HULMPJZJWCQLET-LBPRGKRZSA-N 1 2 342.420 3.623 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](CC)Cc1ccncc1)c1ccc(Cl)cc1 ZINC000348076212 1131141286 /nfs/dbraw/zinc/14/12/86/1131141286.db2.gz NMXVRUTURPNNSW-GOSISDBHSA-N 1 2 345.874 3.824 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccncc1)c1ccc(Cl)cc1 ZINC000348076212 1131141289 /nfs/dbraw/zinc/14/12/89/1131141289.db2.gz NMXVRUTURPNNSW-GOSISDBHSA-N 1 2 345.874 3.824 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccncc1 ZINC000348077637 1131142526 /nfs/dbraw/zinc/14/25/26/1131142526.db2.gz PTVSAAKDTCMCRC-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccncc1 ZINC000348077637 1131142528 /nfs/dbraw/zinc/14/25/28/1131142528.db2.gz PTVSAAKDTCMCRC-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000736621239 1131427950 /nfs/dbraw/zinc/42/79/50/1131427950.db2.gz RZMFYOCBIFSUEN-SWLSCSKDSA-N 1 2 339.505 3.719 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000736621239 1131427952 /nfs/dbraw/zinc/42/79/52/1131427952.db2.gz RZMFYOCBIFSUEN-SWLSCSKDSA-N 1 2 339.505 3.719 20 0 EHADLO C[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000738414252 1131469389 /nfs/dbraw/zinc/46/93/89/1131469389.db2.gz FTNTVICXTKIMBY-LBPRGKRZSA-N 1 2 331.378 3.958 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)[nH]n1 ZINC000738430811 1131469858 /nfs/dbraw/zinc/46/98/58/1131469858.db2.gz LXHDYBGUDSDJCI-UHFFFAOYSA-N 1 2 343.862 3.523 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)o1 ZINC000740881043 1131552329 /nfs/dbraw/zinc/55/23/29/1131552329.db2.gz GBKMNIOCVZBUNE-KGLIPLIRSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)o1 ZINC000740881043 1131552333 /nfs/dbraw/zinc/55/23/33/1131552333.db2.gz GBKMNIOCVZBUNE-KGLIPLIRSA-N 1 2 337.464 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740942437 1131559284 /nfs/dbraw/zinc/55/92/84/1131559284.db2.gz FQZWCNJBMOANQQ-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740942437 1131559289 /nfs/dbraw/zinc/55/92/89/1131559289.db2.gz FQZWCNJBMOANQQ-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO Cc1c2ccccc2oc1C(=O)COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741032255 1131567910 /nfs/dbraw/zinc/56/79/10/1131567910.db2.gz BQOOTLNORQCRPP-HNNXBMFYSA-N 1 2 343.423 3.732 20 0 EHADLO CC(C)[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccccc1 ZINC000741028734 1131571143 /nfs/dbraw/zinc/57/11/43/1131571143.db2.gz HUJPGTWKDPTFRS-LPHOPBHVSA-N 1 2 331.456 3.702 20 0 EHADLO CCc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000741026914 1131571455 /nfs/dbraw/zinc/57/14/55/1131571455.db2.gz SKZHXBAQMRUKMC-JKSUJKDBSA-N 1 2 331.456 3.628 20 0 EHADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000741911812 1131666595 /nfs/dbraw/zinc/66/65/95/1131666595.db2.gz KNCJJECCEPUWOG-AWEZNQCLSA-N 1 2 339.826 3.946 20 0 EHADLO C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000742056448 1131684432 /nfs/dbraw/zinc/68/44/32/1131684432.db2.gz UXGHHXSORNNMMR-BBRMVZONSA-N 1 2 333.863 3.871 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000742238821 1131699573 /nfs/dbraw/zinc/69/95/73/1131699573.db2.gz KVGXLEYUUXBZTL-ZDUSSCGKSA-N 1 2 342.405 3.507 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000742238821 1131699577 /nfs/dbraw/zinc/69/95/77/1131699577.db2.gz KVGXLEYUUXBZTL-ZDUSSCGKSA-N 1 2 342.405 3.507 20 0 EHADLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@H](C)CCOC(C)C ZINC001172436716 1131740685 /nfs/dbraw/zinc/74/06/85/1131740685.db2.gz HPQVFQMXPXVYQH-UZLBHIALSA-N 1 2 343.467 3.717 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCOCC(C)C ZINC001172456949 1131750785 /nfs/dbraw/zinc/75/07/85/1131750785.db2.gz KFJSYRZVURLLQS-HKUYNNGSSA-N 1 2 335.488 3.592 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnc4ccc(Cl)cc4c3)cc2)C1 ZINC001212667201 1131754443 /nfs/dbraw/zinc/75/44/43/1131754443.db2.gz GYUJZZBAZMYWGX-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cc1ccc([C@H](C)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000742647878 1131762363 /nfs/dbraw/zinc/76/23/63/1131762363.db2.gz UVBRIEOHOIPCRB-INIZCTEOSA-N 1 2 341.455 3.783 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)CCC1 ZINC001172575129 1131779458 /nfs/dbraw/zinc/77/94/58/1131779458.db2.gz HMFMZFVEALDOOE-JTQLQIEISA-N 1 2 331.790 3.625 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cl)c4ncccc34)cc2)C1 ZINC001212670373 1131780525 /nfs/dbraw/zinc/78/05/25/1131780525.db2.gz UTXNYPPUTBYDNH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(C(F)(F)F)ccc3F)cc2)C1 ZINC001212668120 1131784030 /nfs/dbraw/zinc/78/40/30/1131784030.db2.gz IHLYUPPQPJGYDX-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO CC(=O)N1CCN(c2ccc(Nc3[nH+]ccc4ccccc43)cc2)CC1 ZINC001212678342 1131821652 /nfs/dbraw/zinc/82/16/52/1131821652.db2.gz UDIWGUJCGBCQQK-UHFFFAOYSA-N 1 2 346.434 3.647 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC001172868667 1131862105 /nfs/dbraw/zinc/86/21/05/1131862105.db2.gz UUPJGMNLFCRWHI-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO CCOC(=O)C1([NH2+][C@H]2CCc3ccc(C)cc3C2)Cc2ccccc2C1 ZINC001172844689 1131866928 /nfs/dbraw/zinc/86/69/28/1131866928.db2.gz YELRITXPLSDKRQ-NRFANRHFSA-N 1 2 349.474 3.543 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2cccc(F)c2)C2CC2)[C@H]1c1ccccc1 ZINC000743355825 1131898562 /nfs/dbraw/zinc/89/85/62/1131898562.db2.gz HSBDPXLNJWNQCG-FOIQADDNSA-N 1 2 338.426 3.967 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2cccc(F)c2)C2CC2)[C@H]1c1ccccc1 ZINC000743355825 1131898570 /nfs/dbraw/zinc/89/85/70/1131898570.db2.gz HSBDPXLNJWNQCG-FOIQADDNSA-N 1 2 338.426 3.967 20 0 EHADLO FC(F)(F)c1ccn(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000743384179 1131907561 /nfs/dbraw/zinc/90/75/61/1131907561.db2.gz YNZVKIFCOZSCMP-ZDUSSCGKSA-N 1 2 341.402 3.974 20 0 EHADLO FC(F)(F)c1ccn(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000743384179 1131907567 /nfs/dbraw/zinc/90/75/67/1131907567.db2.gz YNZVKIFCOZSCMP-ZDUSSCGKSA-N 1 2 341.402 3.974 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000743404877 1131915907 /nfs/dbraw/zinc/91/59/07/1131915907.db2.gz YDGPNDYMOISLBJ-GOSISDBHSA-N 1 2 333.501 3.935 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000743404877 1131915914 /nfs/dbraw/zinc/91/59/14/1131915914.db2.gz YDGPNDYMOISLBJ-GOSISDBHSA-N 1 2 333.501 3.935 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(-c2cccnc2)n1 ZINC001212695133 1131923676 /nfs/dbraw/zinc/92/36/76/1131923676.db2.gz OUPYINYNSOVEPR-UHFFFAOYSA-N 1 2 330.395 3.564 20 0 EHADLO c1cn(Cc2ccc(Nc3cnc4c(C5CCC5)cnn4c3)cc2)c[nH+]1 ZINC001212695180 1131924010 /nfs/dbraw/zinc/92/40/10/1131924010.db2.gz RNTBEOWTHINWSR-UHFFFAOYSA-N 1 2 344.422 3.985 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc4nnc(C5CCC5)n4c3)cc2)c[nH+]1 ZINC001212694849 1131924539 /nfs/dbraw/zinc/92/45/39/1131924539.db2.gz AEKKESLLFPPXKJ-UHFFFAOYSA-N 1 2 344.422 3.985 20 0 EHADLO COC(Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1)OC ZINC001212700160 1131935485 /nfs/dbraw/zinc/93/54/85/1131935485.db2.gz WMXLIQBEVKELGV-UHFFFAOYSA-N 1 2 337.423 3.836 20 0 EHADLO O=C1CCCc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2N1 ZINC001212698366 1131937532 /nfs/dbraw/zinc/93/75/32/1131937532.db2.gz PUGITAPFOHSRAI-UHFFFAOYSA-N 1 2 332.407 3.950 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084611 1131963148 /nfs/dbraw/zinc/96/31/48/1131963148.db2.gz BRTOYEGYJFEBDD-OLZOCXBDSA-N 1 2 347.377 3.838 20 0 EHADLO Fc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000743837920 1131983126 /nfs/dbraw/zinc/98/31/26/1131983126.db2.gz MWSHSSYVQCBYEX-LLVKDONJSA-N 1 2 329.297 3.650 20 0 EHADLO Fc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000743837920 1131983130 /nfs/dbraw/zinc/98/31/30/1131983130.db2.gz MWSHSSYVQCBYEX-LLVKDONJSA-N 1 2 329.297 3.650 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000743852112 1131986713 /nfs/dbraw/zinc/98/67/13/1131986713.db2.gz LXVRWDNSBOVTTQ-KPOBHBOGSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000743852112 1131986716 /nfs/dbraw/zinc/98/67/16/1131986716.db2.gz LXVRWDNSBOVTTQ-KPOBHBOGSA-N 1 2 347.405 3.769 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001173172846 1131991680 /nfs/dbraw/zinc/99/16/80/1131991680.db2.gz GUDOPSBBCYBPAO-JZXOWHBKSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001173172846 1131991684 /nfs/dbraw/zinc/99/16/84/1131991684.db2.gz GUDOPSBBCYBPAO-JZXOWHBKSA-N 1 2 347.503 3.534 20 0 EHADLO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286134 1132044786 /nfs/dbraw/zinc/04/47/86/1132044786.db2.gz DZXVSRUHEMZPTL-HZSPNIEDSA-N 1 2 332.435 3.799 20 0 EHADLO CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286134 1132044789 /nfs/dbraw/zinc/04/47/89/1132044789.db2.gz DZXVSRUHEMZPTL-HZSPNIEDSA-N 1 2 332.435 3.799 20 0 EHADLO COC(=O)[C@H](CC1CCCCC1)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173473841 1132073172 /nfs/dbraw/zinc/07/31/72/1132073172.db2.gz KOYIBFRYXMTQOG-SFHVURJKSA-N 1 2 337.410 3.534 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484938 1132077280 /nfs/dbraw/zinc/07/72/80/1132077280.db2.gz BHYNNHXPQIDOCY-QGZVFWFLSA-N 1 2 337.410 3.628 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484938 1132077287 /nfs/dbraw/zinc/07/72/87/1132077287.db2.gz BHYNNHXPQIDOCY-QGZVFWFLSA-N 1 2 337.410 3.628 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3cnccc32)n1 ZINC000744466439 1132106151 /nfs/dbraw/zinc/10/61/51/1132106151.db2.gz NLTQTMKJZIHOEH-UHFFFAOYSA-N 1 2 340.452 3.785 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1F ZINC001173862853 1132157882 /nfs/dbraw/zinc/15/78/82/1132157882.db2.gz LNVSOLYNCJGUCO-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cc1ccc(Nc2nc(COC(=O)[C@@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000745078743 1132195595 /nfs/dbraw/zinc/19/55/95/1132195595.db2.gz GZRIVXXVWXVTQF-INIZCTEOSA-N 1 2 345.468 3.723 20 0 EHADLO Cc1ccc(Nc2nc(COC(=O)[C@@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000745078743 1132195597 /nfs/dbraw/zinc/19/55/97/1132195597.db2.gz GZRIVXXVWXVTQF-INIZCTEOSA-N 1 2 345.468 3.723 20 0 EHADLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(C)c1 ZINC001174012483 1132203090 /nfs/dbraw/zinc/20/30/90/1132203090.db2.gz BXDQPLPISRBRRX-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO O=C(c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1)N1CCCC1 ZINC001174168405 1132264895 /nfs/dbraw/zinc/26/48/95/1132264895.db2.gz BQXOCYLAUVRRLK-UHFFFAOYSA-N 1 2 336.439 3.661 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cccc(C(=O)NCc2ccco2)c1 ZINC001174198655 1132280674 /nfs/dbraw/zinc/28/06/74/1132280674.db2.gz IMTPPTMJYSQGII-UHFFFAOYSA-N 1 2 337.379 3.747 20 0 EHADLO CC1CCN(C(=O)c2cccc(Nc3cccc4[nH+]ccn43)c2)CC1 ZINC001174202834 1132283365 /nfs/dbraw/zinc/28/33/65/1132283365.db2.gz SDHWNSALKSBRIE-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000745782461 1132315942 /nfs/dbraw/zinc/31/59/42/1132315942.db2.gz DUTUSELORLLNIA-UHFFFAOYSA-N 1 2 326.444 3.640 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3nc[nH]c(=O)c3Br)ccc21 ZINC001174382512 1132344413 /nfs/dbraw/zinc/34/44/13/1132344413.db2.gz TYAMLHJNGKOSAC-UHFFFAOYSA-N 1 2 348.204 3.619 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccccc3CC(=O)N(C)C)ccc21 ZINC001174382693 1132344543 /nfs/dbraw/zinc/34/45/43/1132344543.db2.gz CDUCDHFAHGZVIC-UHFFFAOYSA-N 1 2 336.439 3.992 20 0 EHADLO Cc1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c(C)s1 ZINC001174420030 1132348249 /nfs/dbraw/zinc/34/82/49/1132348249.db2.gz CSUAOHBLTYGTFW-UHFFFAOYSA-N 1 2 343.496 3.629 20 0 EHADLO Cc1cc(F)cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001174528588 1132383891 /nfs/dbraw/zinc/38/38/91/1132383891.db2.gz PFNVLFSWALNWSW-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc4ccn(C)c4c3)c[nH+]2)C[C@H](C)O1 ZINC001174514674 1132396542 /nfs/dbraw/zinc/39/65/42/1132396542.db2.gz ALBQNMNYWLJEEU-GASCZTMLSA-N 1 2 336.439 3.931 20 0 EHADLO Cc1cnn(Cc2ccccn2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521788 1132399058 /nfs/dbraw/zinc/39/90/58/1132399058.db2.gz DXKKYVXQBPJWPB-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO c1nn([C@H]2CCCCO2)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001174600271 1132425546 /nfs/dbraw/zinc/42/55/46/1132425546.db2.gz WAACMPSHEXDVGX-QGZVFWFLSA-N 1 2 327.432 3.711 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000746322626 1132439854 /nfs/dbraw/zinc/43/98/54/1132439854.db2.gz LWUXWGWWGLTLTI-HWKANZROSA-N 1 2 348.846 3.603 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000746322626 1132439861 /nfs/dbraw/zinc/43/98/61/1132439861.db2.gz LWUXWGWWGLTLTI-HWKANZROSA-N 1 2 348.846 3.603 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)c(C)c1 ZINC000188926300 1132440158 /nfs/dbraw/zinc/44/01/58/1132440158.db2.gz HLGKSXSOLUYIDK-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)c(C)c1 ZINC000188926300 1132440163 /nfs/dbraw/zinc/44/01/63/1132440163.db2.gz HLGKSXSOLUYIDK-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Cc1nc(Nc2ccc3cc[nH]c3c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174747644 1132465960 /nfs/dbraw/zinc/46/59/60/1132465960.db2.gz HZVYZRNFDPBNNK-STQMWFEESA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc3cc[nH]c3c2)[nH+]1 ZINC001174747644 1132465964 /nfs/dbraw/zinc/46/59/64/1132465964.db2.gz HZVYZRNFDPBNNK-STQMWFEESA-N 1 2 337.427 3.624 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193000517 1132477522 /nfs/dbraw/zinc/47/75/22/1132477522.db2.gz RDVBLFWKFOFCCI-AWEZNQCLSA-N 1 2 344.455 3.854 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193000517 1132477528 /nfs/dbraw/zinc/47/75/28/1132477528.db2.gz RDVBLFWKFOFCCI-AWEZNQCLSA-N 1 2 344.455 3.854 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Br)c2ccccc12 ZINC000193748410 1132483173 /nfs/dbraw/zinc/48/31/73/1132483173.db2.gz AAQSFXWMNVIVMM-UHFFFAOYSA-N 1 2 344.212 3.897 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Br)c2ccccc12 ZINC000193748410 1132483178 /nfs/dbraw/zinc/48/31/78/1132483178.db2.gz AAQSFXWMNVIVMM-UHFFFAOYSA-N 1 2 344.212 3.897 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c2cccc(F)c2n1 ZINC001174973745 1132510271 /nfs/dbraw/zinc/51/02/71/1132510271.db2.gz ZPDZACBPSHFILT-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO Fc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1C(F)(F)F ZINC001174977904 1132511499 /nfs/dbraw/zinc/51/14/99/1132511499.db2.gz YYCRXKHKHNBHIG-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)c(F)c1Br ZINC001249459838 1132518081 /nfs/dbraw/zinc/51/80/81/1132518081.db2.gz LFFZDTNOGFKDQM-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO Cc1ccc(C[N@H+]2CCCC3(COC3)C2)c(F)c1Br ZINC001249459838 1132518088 /nfs/dbraw/zinc/51/80/88/1132518088.db2.gz LFFZDTNOGFKDQM-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCOCc1ccccc1 ZINC000766386376 1132524568 /nfs/dbraw/zinc/52/45/68/1132524568.db2.gz GGHKCNLQVDDAMU-UHFFFAOYSA-N 1 2 339.443 3.600 20 0 EHADLO CCCCOc1ccccc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001174999775 1132525453 /nfs/dbraw/zinc/52/54/53/1132525453.db2.gz DOLYTRAXEGCHOC-UHFFFAOYSA-N 1 2 341.455 3.965 20 0 EHADLO c1cncc(Cc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)c1 ZINC001174978982 1132533004 /nfs/dbraw/zinc/53/30/04/1132533004.db2.gz FIYXLZYYDLVDND-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO Clc1ccc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2n1 ZINC001174980151 1132534507 /nfs/dbraw/zinc/53/45/07/1132534507.db2.gz VWXNWNKLXCVEOB-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000804288287 1132551628 /nfs/dbraw/zinc/55/16/28/1132551628.db2.gz TVSBIIJDNNDMTE-NRFANRHFSA-N 1 2 333.435 3.918 20 0 EHADLO Fc1c(Nc2ccc[nH+]c2N2CCOCC2)cccc1C(F)(F)F ZINC001175135639 1132577636 /nfs/dbraw/zinc/57/76/36/1132577636.db2.gz RACIEKJOUZNSTF-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1OC(C)C ZINC001175191914 1132582689 /nfs/dbraw/zinc/58/26/89/1132582689.db2.gz GVWQCXITESZPLQ-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3cc(C(F)(F)F)co3)CC2)c1 ZINC001168871904 1132585406 /nfs/dbraw/zinc/58/54/06/1132585406.db2.gz DQNNXJXVVOOWFW-UHFFFAOYSA-N 1 2 342.336 3.755 20 0 EHADLO O=C(c1ccccc1)N1CCC[C@H](Nc2ccc(-n3cccc3)c[nH+]2)C1 ZINC001168896744 1132591107 /nfs/dbraw/zinc/59/11/07/1132591107.db2.gz XCSVBNMLKMMFEJ-SFHVURJKSA-N 1 2 346.434 3.589 20 0 EHADLO CN(C)c1ccc(Nc2cc(C(C)(C)C)nn2-c2cccnc2)c[nH+]1 ZINC001175341340 1132626110 /nfs/dbraw/zinc/62/61/10/1132626110.db2.gz GZWONRCJIYHQFJ-UHFFFAOYSA-N 1 2 336.443 3.769 20 0 EHADLO CN(C)c1ccc(Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)c[nH+]1 ZINC001175342003 1132626759 /nfs/dbraw/zinc/62/67/59/1132626759.db2.gz YVCLLHMIRIPUNQ-UHFFFAOYSA-N 1 2 343.431 3.658 20 0 EHADLO CCOC(=O)CCc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1F ZINC001175344011 1132628243 /nfs/dbraw/zinc/62/82/43/1132628243.db2.gz MZNBXJAJBQQJDM-UHFFFAOYSA-N 1 2 331.391 3.526 20 0 EHADLO CCOC(=O)c1ccc2ccc(Nc3ccc(N(C)C)[nH+]c3)cc2n1 ZINC001175345785 1132629173 /nfs/dbraw/zinc/62/91/73/1132629173.db2.gz HXUNCGFVDKNTRG-UHFFFAOYSA-N 1 2 336.395 3.616 20 0 EHADLO COC(=O)[C@@H](C)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175348607 1132630688 /nfs/dbraw/zinc/63/06/88/1132630688.db2.gz HJKDYBLBTVISSI-AWEZNQCLSA-N 1 2 325.412 3.702 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c(F)c1 ZINC001175320459 1132638317 /nfs/dbraw/zinc/63/83/17/1132638317.db2.gz GNYKRDGAGDDADZ-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175349114 1132641301 /nfs/dbraw/zinc/64/13/01/1132641301.db2.gz LEIHQGTVJJEXSQ-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO c1cc(Nc2ccc(N3CCCC3)[nH+]c2)cn2nc(C3CCC3)nc12 ZINC001175350356 1132645681 /nfs/dbraw/zinc/64/56/81/1132645681.db2.gz HHPULGODMKSUEP-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO COC(=O)c1oc2ccccc2c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349940 1132646300 /nfs/dbraw/zinc/64/63/00/1132646300.db2.gz QWYIZZWVGKMUQY-UHFFFAOYSA-N 1 2 337.379 3.958 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@]3(C)C3CCCCC3)[nH+]c12 ZINC001175482908 1132680468 /nfs/dbraw/zinc/68/04/68/1132680468.db2.gz NXBYMEOOCOGHEY-FQEVSTJZSA-N 1 2 325.456 3.757 20 0 EHADLO CC(C)c1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c(O)c1 ZINC001169159983 1132681809 /nfs/dbraw/zinc/68/18/09/1132681809.db2.gz ZIEWEQZPVDRJCO-UHFFFAOYSA-N 1 2 349.434 3.809 20 0 EHADLO Cc1ccc(CCCC(=O)NCCn2c[nH+]cc2-c2ccccc2)cc1 ZINC001169159358 1132681940 /nfs/dbraw/zinc/68/19/40/1132681940.db2.gz SBKIXFWBQMCWFX-UHFFFAOYSA-N 1 2 347.462 3.998 20 0 EHADLO Cc1cccc2c1C[N@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC001169224906 1132701341 /nfs/dbraw/zinc/70/13/41/1132701341.db2.gz JINJZFBJZRELDZ-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO Cc1cccc2c1C[N@@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC001169224906 1132701348 /nfs/dbraw/zinc/70/13/48/1132701348.db2.gz JINJZFBJZRELDZ-UHFFFAOYSA-N 1 2 338.842 3.787 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404903 1132741143 /nfs/dbraw/zinc/74/11/43/1132741143.db2.gz QPQMGHSJBPXDDC-NHYWBVRUSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404903 1132741152 /nfs/dbraw/zinc/74/11/52/1132741152.db2.gz QPQMGHSJBPXDDC-NHYWBVRUSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C ZINC001175716898 1132742984 /nfs/dbraw/zinc/74/29/84/1132742984.db2.gz CHFFZUPGNYKMBM-UHFFFAOYSA-N 1 2 339.317 3.911 20 0 EHADLO Cc1cc2nsnc2cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716502 1132743006 /nfs/dbraw/zinc/74/30/06/1132743006.db2.gz VPQGWRXPXYFFCM-UHFFFAOYSA-N 1 2 325.319 3.739 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175717772 1132743119 /nfs/dbraw/zinc/74/31/19/1132743119.db2.gz OMEDNIOGXXMSEE-UHFFFAOYSA-N 1 2 339.317 3.532 20 0 EHADLO COC(=O)c1cccc(Cl)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717726 1132743209 /nfs/dbraw/zinc/74/32/09/1132743209.db2.gz NLXZAESONJZQDF-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO CN(CCCNC(=O)c1cc(Cl)sc1Cl)c1cccc[nH+]1 ZINC001175709309 1132754217 /nfs/dbraw/zinc/75/42/17/1132754217.db2.gz ZUYYXGJEYWXHQW-UHFFFAOYSA-N 1 2 344.267 3.706 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(Cl)c3[nH+]ccn3c2)cn1 ZINC001175711194 1132755379 /nfs/dbraw/zinc/75/53/79/1132755379.db2.gz RPKVPSCBZNNEGI-UHFFFAOYSA-N 1 2 327.697 3.727 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC001169451750 1132759569 /nfs/dbraw/zinc/75/95/69/1132759569.db2.gz KZFVFSDMVRNMQN-SFHVURJKSA-N 1 2 343.492 3.963 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC001169451750 1132759575 /nfs/dbraw/zinc/75/95/75/1132759575.db2.gz KZFVFSDMVRNMQN-SFHVURJKSA-N 1 2 343.492 3.963 20 0 EHADLO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC001169494626 1132770697 /nfs/dbraw/zinc/77/06/97/1132770697.db2.gz MYALKVGACPLAQQ-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC001169494626 1132770702 /nfs/dbraw/zinc/77/07/02/1132770702.db2.gz MYALKVGACPLAQQ-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H](CNc1cc[nH+]c(OCc2ccccn2)c1)c1ccc(O)cc1 ZINC001169542894 1132782661 /nfs/dbraw/zinc/78/26/61/1132782661.db2.gz KAUXZEPUMDOFOA-OAHLLOKOSA-N 1 2 335.407 3.977 20 0 EHADLO COC(=O)C1(c2ccc(Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001175920495 1132797514 /nfs/dbraw/zinc/79/75/14/1132797514.db2.gz ZKJWVSQUXVXCKM-UHFFFAOYSA-N 1 2 333.391 3.821 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000766765054 1132807859 /nfs/dbraw/zinc/80/78/59/1132807859.db2.gz ATKVFYCTEFNARH-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000766765054 1132807865 /nfs/dbraw/zinc/80/78/65/1132807865.db2.gz ATKVFYCTEFNARH-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Clc1ccc(Cl)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)n1 ZINC000766856952 1132873495 /nfs/dbraw/zinc/87/34/95/1132873495.db2.gz LVUYFAXFXODEQI-UHFFFAOYSA-N 1 2 337.206 3.896 20 0 EHADLO Cc1nc(Nc2cccc(Cl)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001176221550 1132878657 /nfs/dbraw/zinc/87/86/57/1132878657.db2.gz DPIVLQHUXJPZRD-VXGBXAGGSA-N 1 2 332.835 3.796 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC001176221550 1132878667 /nfs/dbraw/zinc/87/86/67/1132878667.db2.gz DPIVLQHUXJPZRD-VXGBXAGGSA-N 1 2 332.835 3.796 20 0 EHADLO c1cnc(N2CCCC2)c(CNc2cc3c4c(c2)CCC[NH+]4CCC3)c1 ZINC001169860078 1132882102 /nfs/dbraw/zinc/88/21/02/1132882102.db2.gz DESMRRWGVPIUBV-UHFFFAOYSA-N 1 2 348.494 3.993 20 0 EHADLO OC[C@H](CNc1cc[nH+]c(OCc2ccccc2)c1)Cc1ccccc1 ZINC001169897045 1132889202 /nfs/dbraw/zinc/88/92/02/1132889202.db2.gz ALDSYMBKAFLLTA-FQEVSTJZSA-N 1 2 348.446 3.924 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cncc(C2CC2)c1 ZINC001176283696 1132891210 /nfs/dbraw/zinc/89/12/10/1132891210.db2.gz PFNMEWGZQROMOA-UHFFFAOYSA-N 1 2 335.411 3.854 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C2CC2)C2CCC(C)CC2)c1C ZINC000766913349 1132913276 /nfs/dbraw/zinc/91/32/76/1132913276.db2.gz KFBNBUFONQPDRV-UHFFFAOYSA-N 1 2 345.487 3.960 20 0 EHADLO C(=C\[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639319 1132974649 /nfs/dbraw/zinc/97/46/49/1132974649.db2.gz FWTKQWDIBVLLMW-CLEWGBKMSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C\[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1)\c1ccccc1 ZINC001176639319 1132974652 /nfs/dbraw/zinc/97/46/52/1132974652.db2.gz FWTKQWDIBVLLMW-CLEWGBKMSA-N 1 2 330.435 3.945 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001176639547 1132974913 /nfs/dbraw/zinc/97/49/13/1132974913.db2.gz JUINAONRJZPGEZ-SNGWPZLWSA-N 1 2 340.389 3.575 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001176639547 1132974918 /nfs/dbraw/zinc/97/49/18/1132974918.db2.gz JUINAONRJZPGEZ-SNGWPZLWSA-N 1 2 340.389 3.575 20 0 EHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC001176674414 1132980256 /nfs/dbraw/zinc/98/02/56/1132980256.db2.gz FDTZJUPUULRXRA-GOSISDBHSA-N 1 2 340.414 3.694 20 0 EHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001176674414 1132980262 /nfs/dbraw/zinc/98/02/62/1132980262.db2.gz FDTZJUPUULRXRA-GOSISDBHSA-N 1 2 340.414 3.694 20 0 EHADLO CCOC(=O)c1cnc(Nc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC001176749715 1132992296 /nfs/dbraw/zinc/99/22/96/1132992296.db2.gz HJXOFNXYYQUFND-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO Oc1ccc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750988 1132992678 /nfs/dbraw/zinc/99/26/78/1132992678.db2.gz PVCJQYWPNUKLJA-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@H+]1C[C@@H](C)C1CCCCC1 ZINC001176761301 1132999131 /nfs/dbraw/zinc/99/91/31/1132999131.db2.gz VMTUHKVWHZOSGL-DNVCBOLYSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](C)C1CCCCC1 ZINC001176761301 1132999136 /nfs/dbraw/zinc/99/91/36/1132999136.db2.gz VMTUHKVWHZOSGL-DNVCBOLYSA-N 1 2 331.456 3.812 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC[C@H]3C=CCC3)cn2c1 ZINC001176910312 1133014733 /nfs/dbraw/zinc/01/47/33/1133014733.db2.gz MTRFKISPJAMTMX-INIZCTEOSA-N 1 2 343.496 3.739 20 0 EHADLO O=C(Nc1cc(C2CCCC2)no1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176959420 1133016633 /nfs/dbraw/zinc/01/66/33/1133016633.db2.gz XPIUNYGNMGVOTE-HNNXBMFYSA-N 1 2 340.427 3.582 20 0 EHADLO CCC[C@@H](C[NH2+]c1ccc(N2CCNC(=O)C2)cc1)c1ccccc1 ZINC001177345487 1133057684 /nfs/dbraw/zinc/05/76/84/1133057684.db2.gz NLSGAYBNCQQAEX-SFHVURJKSA-N 1 2 337.467 3.619 20 0 EHADLO COC(=O)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1C ZINC001177403970 1133062508 /nfs/dbraw/zinc/06/25/08/1133062508.db2.gz MWGIAWCLBMLVHI-UHFFFAOYSA-N 1 2 339.439 3.779 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767876690 1133066243 /nfs/dbraw/zinc/06/62/43/1133066243.db2.gz QLESTCGDPCYCFX-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767876690 1133066249 /nfs/dbraw/zinc/06/62/49/1133066249.db2.gz QLESTCGDPCYCFX-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO CCCCC[C@@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767939745 1133073436 /nfs/dbraw/zinc/07/34/36/1133073436.db2.gz PGMBLPHOVSPVHH-MRXNPFEDSA-N 1 2 333.476 3.961 20 0 EHADLO CCOc1ccc(Cl)cc1C[NH2+]Cc1nc2ccccc2n1C ZINC001177679525 1133091240 /nfs/dbraw/zinc/09/12/40/1133091240.db2.gz SOXPDDXWCXDNAG-UHFFFAOYSA-N 1 2 329.831 3.915 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC001177656803 1133092789 /nfs/dbraw/zinc/09/27/89/1133092789.db2.gz LQOPPEYEXDTJMS-QGZVFWFLSA-N 1 2 326.831 3.831 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000768172900 1133105412 /nfs/dbraw/zinc/10/54/12/1133105412.db2.gz ATTPFLGKNQIQDE-CQSZACIVSA-N 1 2 347.484 3.534 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000768172900 1133105413 /nfs/dbraw/zinc/10/54/13/1133105413.db2.gz ATTPFLGKNQIQDE-CQSZACIVSA-N 1 2 347.484 3.534 20 0 EHADLO Oc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC000768192100 1133111381 /nfs/dbraw/zinc/11/13/81/1133111381.db2.gz RBOLNJHULUCLOU-UHFFFAOYSA-N 1 2 334.822 3.503 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000768248479 1133117667 /nfs/dbraw/zinc/11/76/67/1133117667.db2.gz GIFLTJHUYKBCDD-INIZCTEOSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000768248479 1133117671 /nfs/dbraw/zinc/11/76/71/1133117671.db2.gz GIFLTJHUYKBCDD-INIZCTEOSA-N 1 2 335.904 3.926 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1cccc(Cl)c1 ZINC001178860112 1133207649 /nfs/dbraw/zinc/20/76/49/1133207649.db2.gz RZFPBMSWLLGUGX-OAHLLOKOSA-N 1 2 332.787 3.664 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000769046711 1133218145 /nfs/dbraw/zinc/21/81/45/1133218145.db2.gz HJMCDPYDWWMHAN-IRXDYDNUSA-N 1 2 334.508 3.767 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC000768996732 1133218181 /nfs/dbraw/zinc/21/81/81/1133218181.db2.gz PVVGMUYPFDEWNH-MJGOQNOKSA-N 1 2 337.398 3.531 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCc3c[nH]c(C(C)C)[nH+]3)cc2)cs1 ZINC001179092629 1133228847 /nfs/dbraw/zinc/22/88/47/1133228847.db2.gz TUUZWTZGHKWMJH-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCc3c[nH+]c(C(C)C)[nH]3)cc2)cs1 ZINC001179092629 1133228853 /nfs/dbraw/zinc/22/88/53/1133228853.db2.gz TUUZWTZGHKWMJH-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO c1nn(-c2ccccc2)nc1C[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC001179299092 1133240470 /nfs/dbraw/zinc/24/04/70/1133240470.db2.gz LNXUOZADMWLRII-UHFFFAOYSA-N 1 2 341.418 3.619 20 0 EHADLO Cc1cc2cn[nH]c2c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001179337298 1133246548 /nfs/dbraw/zinc/24/65/48/1133246548.db2.gz ZTJGYLJBIRFSAU-UHFFFAOYSA-N 1 2 335.411 3.509 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(CC2CCCCC2)CC1 ZINC001179389471 1133249766 /nfs/dbraw/zinc/24/97/66/1133249766.db2.gz KAKIBHXELOTMQN-GOSISDBHSA-N 1 2 329.488 3.655 20 0 EHADLO Fc1ccc2c(C[NH2+]Cc3c(Cl)nc4ccccn43)noc2c1 ZINC001179430349 1133250670 /nfs/dbraw/zinc/25/06/70/1133250670.db2.gz YOKZQBODHOFGRG-UHFFFAOYSA-N 1 2 330.750 3.558 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000769329141 1133262415 /nfs/dbraw/zinc/26/24/15/1133262415.db2.gz KAMNKUVXMGWCLD-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000769329141 1133262421 /nfs/dbraw/zinc/26/24/21/1133262421.db2.gz KAMNKUVXMGWCLD-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO O=C(/C=C/c1c(F)ccc(F)c1Cl)Nc1ccn2cc[nH+]c2c1 ZINC001179768468 1133277564 /nfs/dbraw/zinc/27/75/64/1133277564.db2.gz ZIOPUAZSZVLWIN-DAFODLJHSA-N 1 2 333.725 3.918 20 0 EHADLO Cn1c(CNc2[nH+]c3cc(Cl)ccc3n2C)nc2ccccc21 ZINC001179811027 1133285641 /nfs/dbraw/zinc/28/56/41/1133285641.db2.gz SLQHFIGFWYROML-UHFFFAOYSA-N 1 2 325.803 3.726 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1C(C)(C)C ZINC001179962491 1133314823 /nfs/dbraw/zinc/31/48/23/1133314823.db2.gz OPZBNWRPAALSDC-KRWDZBQOSA-N 1 2 333.472 3.909 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1C(C)(C)C ZINC001179962491 1133314827 /nfs/dbraw/zinc/31/48/27/1133314827.db2.gz OPZBNWRPAALSDC-KRWDZBQOSA-N 1 2 333.472 3.909 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3cc(C)cc(C)c3)CC2)c[nH+]1 ZINC001180055171 1133322839 /nfs/dbraw/zinc/32/28/39/1133322839.db2.gz WYRCFUWZBFJEEB-UHFFFAOYSA-N 1 2 339.483 3.950 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC001180080482 1133326406 /nfs/dbraw/zinc/32/64/06/1133326406.db2.gz CBVGSARLXXIDLJ-LJQANCHMSA-N 1 2 344.480 3.775 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC001180080482 1133326411 /nfs/dbraw/zinc/32/64/11/1133326411.db2.gz CBVGSARLXXIDLJ-LJQANCHMSA-N 1 2 344.480 3.775 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(F)ccc2N(C)C)CCO1 ZINC001180120276 1133334439 /nfs/dbraw/zinc/33/44/39/1133334439.db2.gz GMJWLRRQZBOEGQ-HXUWFJFHSA-N 1 2 328.431 3.774 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(F)ccc2N(C)C)CCO1 ZINC001180120276 1133334443 /nfs/dbraw/zinc/33/44/43/1133334443.db2.gz GMJWLRRQZBOEGQ-HXUWFJFHSA-N 1 2 328.431 3.774 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1O ZINC000769716429 1133334594 /nfs/dbraw/zinc/33/45/94/1133334594.db2.gz JGIZMPUKEINRES-UHFFFAOYSA-N 1 2 333.457 3.505 20 0 EHADLO CN(C)c1nc(Cl)c(CNc2cccc(-n3cc[nH+]c3)c2)s1 ZINC001180300776 1133353847 /nfs/dbraw/zinc/35/38/47/1133353847.db2.gz DQOZJTPQEXZKHT-UHFFFAOYSA-N 1 2 333.848 3.660 20 0 EHADLO COc1cccc(N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1F ZINC000769986340 1133373452 /nfs/dbraw/zinc/37/34/52/1133373452.db2.gz NSUORSZKWLMNFA-YWZLYKJASA-N 1 2 344.430 3.708 20 0 EHADLO Cc1cc(C)cc(OCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001180541824 1133389998 /nfs/dbraw/zinc/38/99/98/1133389998.db2.gz HDPHLXRROFALQA-UHFFFAOYSA-N 1 2 335.407 3.566 20 0 EHADLO Cc1ccc(Br)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770410571 1133425188 /nfs/dbraw/zinc/42/51/88/1133425188.db2.gz BHWMKFKKKQHVFG-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CCOC(=O)[C@H](CCOC(C)(C)C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180962609 1133437240 /nfs/dbraw/zinc/43/72/40/1133437240.db2.gz NUJPJSROZKKUFJ-LVCYWYKZSA-N 1 2 347.499 3.907 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](CO)c1ccsc1 ZINC000770689147 1133462576 /nfs/dbraw/zinc/46/25/76/1133462576.db2.gz NXLWJHATLNEYAS-MRXNPFEDSA-N 1 2 347.871 3.719 20 0 EHADLO CCOc1ccc(SCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770924156 1133484852 /nfs/dbraw/zinc/48/48/52/1133484852.db2.gz CPIXGRMRJLSNRE-UHFFFAOYSA-N 1 2 342.420 3.569 20 0 EHADLO O=C(Cc1cccc(F)c1C(F)(F)F)Nc1cccc2[nH+]ccn21 ZINC001181673967 1133512470 /nfs/dbraw/zinc/51/24/70/1133512470.db2.gz NZTRAQVOBSOHIR-UHFFFAOYSA-N 1 2 337.276 3.673 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCc2sccc21 ZINC000771295035 1133535773 /nfs/dbraw/zinc/53/57/73/1133535773.db2.gz JTOBDOMMXDVMIM-HOCLYGCPSA-N 1 2 331.485 3.596 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000771295014 1133535840 /nfs/dbraw/zinc/53/58/40/1133535840.db2.gz IZVJZWBNVYSLQG-GOSISDBHSA-N 1 2 327.472 3.664 20 0 EHADLO COC(=O)c1ncc(C(F)(F)F)cc1Nc1ccc(C)[nH+]c1C ZINC001203368610 1133555487 /nfs/dbraw/zinc/55/54/87/1133555487.db2.gz BDFBAYGWGSBQGQ-UHFFFAOYSA-N 1 2 325.290 3.642 20 0 EHADLO Cc1nc2sccn2c1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000771525240 1133569841 /nfs/dbraw/zinc/56/98/41/1133569841.db2.gz HNJNZYQHWGJJLK-UHFFFAOYSA-N 1 2 348.391 3.607 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cc3nc(Cl)ccc3s2)n1 ZINC001182152037 1133579287 /nfs/dbraw/zinc/57/92/87/1133579287.db2.gz HOGGAHXLJBWDTH-UHFFFAOYSA-N 1 2 340.786 3.967 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000774006640 1133584146 /nfs/dbraw/zinc/58/41/46/1133584146.db2.gz WPOLXNNYSNNCPW-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000774006640 1133584149 /nfs/dbraw/zinc/58/41/49/1133584149.db2.gz WPOLXNNYSNNCPW-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1CCc2[nH]ccc2C1)c1ccccc1Cl ZINC001182220081 1133598884 /nfs/dbraw/zinc/59/88/84/1133598884.db2.gz ILVRPZHIDJYHHQ-SFHVURJKSA-N 1 2 345.874 3.636 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)OCCn1cc[nH+]c1 ZINC000771928458 1133610902 /nfs/dbraw/zinc/61/09/02/1133610902.db2.gz RCLRHRXYCCWFJN-UHFFFAOYSA-N 1 2 342.420 3.867 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)OCc1cccc2[nH+]ccn21 ZINC000774145327 1133622384 /nfs/dbraw/zinc/62/23/84/1133622384.db2.gz XOYORHNLGXUUEC-HNNXBMFYSA-N 1 2 346.386 3.998 20 0 EHADLO Cc1cc(Br)cc2cc(C(=O)OCCn3cc[nH+]c3)oc21 ZINC000772053434 1133633054 /nfs/dbraw/zinc/63/30/54/1133633054.db2.gz CWUSJUHKZJYDPK-UHFFFAOYSA-N 1 2 349.184 3.557 20 0 EHADLO C[C@H](C(=O)OCc1cccc2[nH+]ccn21)c1cn(C)c2ccccc12 ZINC000774206428 1133634635 /nfs/dbraw/zinc/63/46/35/1133634635.db2.gz COLXJYWDVPFUCV-AWEZNQCLSA-N 1 2 333.391 3.673 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001170038337 1133637650 /nfs/dbraw/zinc/63/76/50/1133637650.db2.gz DQYHFVLPWAJWJW-CQSZACIVSA-N 1 2 340.851 3.536 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1Cl ZINC001170038337 1133637655 /nfs/dbraw/zinc/63/76/55/1133637655.db2.gz DQYHFVLPWAJWJW-CQSZACIVSA-N 1 2 340.851 3.536 20 0 EHADLO C[N@H+](CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C1CC1 ZINC001182474603 1133689572 /nfs/dbraw/zinc/68/95/72/1133689572.db2.gz KEMZCPOJAUVMAU-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO C[N@@H+](CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C1CC1 ZINC001182474603 1133689577 /nfs/dbraw/zinc/68/95/77/1133689577.db2.gz KEMZCPOJAUVMAU-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC(C)(C)C ZINC001182555215 1133696105 /nfs/dbraw/zinc/69/61/05/1133696105.db2.gz NNTRJQTUKAEXEW-WCQYABFASA-N 1 2 348.874 3.998 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)ccc1OCC(F)(F)F ZINC001182534609 1133697874 /nfs/dbraw/zinc/69/78/74/1133697874.db2.gz XIVHBSMMFJFOBN-HNNXBMFYSA-N 1 2 347.352 3.768 20 0 EHADLO Fc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1OCC(F)(F)F ZINC001182534609 1133697877 /nfs/dbraw/zinc/69/78/77/1133697877.db2.gz XIVHBSMMFJFOBN-HNNXBMFYSA-N 1 2 347.352 3.768 20 0 EHADLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1c[nH]c2ccccc12 ZINC000785520521 1133717479 /nfs/dbraw/zinc/71/74/79/1133717479.db2.gz XVKOMCXDRPGECJ-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1c[nH]c2ccccc12 ZINC000785520521 1133717481 /nfs/dbraw/zinc/71/74/81/1133717481.db2.gz XVKOMCXDRPGECJ-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+]Cc3ccc(Cl)nn3)n2)cc1 ZINC001182753747 1133723486 /nfs/dbraw/zinc/72/34/86/1133723486.db2.gz JQCKTFFWYNTQLU-UHFFFAOYSA-N 1 2 344.777 3.746 20 0 EHADLO CCOC[C@H]1C[N@H+](C/C(C)=C\c2ccccc2C(F)(F)F)CCO1 ZINC001183248604 1133786229 /nfs/dbraw/zinc/78/62/29/1133786229.db2.gz POIFQHHHPUMQTK-SCOADAFUSA-N 1 2 343.389 3.846 20 0 EHADLO CCOC[C@H]1C[N@@H+](C/C(C)=C\c2ccccc2C(F)(F)F)CCO1 ZINC001183248604 1133786232 /nfs/dbraw/zinc/78/62/32/1133786232.db2.gz POIFQHHHPUMQTK-SCOADAFUSA-N 1 2 343.389 3.846 20 0 EHADLO CN(C)c1nc(Cl)c(C[NH2+]Cc2cc(O)ccc2Cl)s1 ZINC001183532863 1133824611 /nfs/dbraw/zinc/82/46/11/1133824611.db2.gz HGDHBWYTEYWGPK-UHFFFAOYSA-N 1 2 332.256 3.511 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC001183683352 1133840423 /nfs/dbraw/zinc/84/04/23/1133840423.db2.gz BXTCBDNNRLQKMH-RCBQFDQVSA-N 1 2 343.364 3.994 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754077 1133854536 /nfs/dbraw/zinc/85/45/36/1133854536.db2.gz YPZIKUXOFIYTIY-IBGZPJMESA-N 1 2 332.403 3.758 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754077 1133854545 /nfs/dbraw/zinc/85/45/45/1133854545.db2.gz YPZIKUXOFIYTIY-IBGZPJMESA-N 1 2 332.403 3.758 20 0 EHADLO Cc1cc(Cl)cc(Cl)c1CNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183937062 1133873881 /nfs/dbraw/zinc/87/38/81/1133873881.db2.gz ZCTACUFENSGEPQ-UHFFFAOYSA-N 1 2 338.238 3.528 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1nc2ccccc2o1 ZINC001183908925 1133876343 /nfs/dbraw/zinc/87/63/43/1133876343.db2.gz GNMVONJRPOZQEJ-UHFFFAOYSA-N 1 2 347.212 3.889 20 0 EHADLO FC(F)(F)c1cc(SCC[NH+]2CCOCC2)ccc1Cl ZINC000749434573 1133882092 /nfs/dbraw/zinc/88/20/92/1133882092.db2.gz BAFIPYUDSALZIS-UHFFFAOYSA-N 1 2 325.783 3.783 20 0 EHADLO CC[C@H](C[N@H+](CC)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 ZINC000774702693 1133884711 /nfs/dbraw/zinc/88/47/11/1133884711.db2.gz NVYURLGZHSCRKO-QGZVFWFLSA-N 1 2 339.483 3.595 20 0 EHADLO CC[C@H](C[N@@H+](CC)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 ZINC000774702693 1133884715 /nfs/dbraw/zinc/88/47/15/1133884715.db2.gz NVYURLGZHSCRKO-QGZVFWFLSA-N 1 2 339.483 3.595 20 0 EHADLO CC(C)C1(O)CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001184315807 1133921583 /nfs/dbraw/zinc/92/15/83/1133921583.db2.gz ZDGYUVUFJZBXLU-UHFFFAOYSA-N 1 2 335.341 3.707 20 0 EHADLO COC(=O)c1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC001184440080 1133937538 /nfs/dbraw/zinc/93/75/38/1133937538.db2.gz RLEVRSVXOBGSQX-UHFFFAOYSA-N 1 2 347.827 3.986 20 0 EHADLO Cc1nocc1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC001184461776 1133943303 /nfs/dbraw/zinc/94/33/03/1133943303.db2.gz COWREYBJLFGARN-UHFFFAOYSA-N 1 2 333.395 3.583 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746650997 1133967588 /nfs/dbraw/zinc/96/75/88/1133967588.db2.gz GSLNMWPMYQZHNI-NSHDSACASA-N 1 2 338.300 3.811 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746650997 1133967598 /nfs/dbraw/zinc/96/75/98/1133967598.db2.gz GSLNMWPMYQZHNI-NSHDSACASA-N 1 2 338.300 3.811 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(SC(F)F)cc1)C1CC1 ZINC000787368506 1133996991 /nfs/dbraw/zinc/99/69/91/1133996991.db2.gz LTHDRIRICDQVCH-LLVKDONJSA-N 1 2 329.412 3.917 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(SC(F)F)cc1)C1CC1 ZINC000787368506 1133996999 /nfs/dbraw/zinc/99/69/99/1133996999.db2.gz LTHDRIRICDQVCH-LLVKDONJSA-N 1 2 329.412 3.917 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000746685430 1134007902 /nfs/dbraw/zinc/00/79/02/1134007902.db2.gz PFFUPPUWGIXEFI-SWLSCSKDSA-N 1 2 335.517 3.592 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2ccc[nH+]c2N2CCCC2)c1C ZINC001184967503 1134008654 /nfs/dbraw/zinc/00/86/54/1134008654.db2.gz DVJDURBSMGLAPR-UHFFFAOYSA-N 1 2 325.412 3.945 20 0 EHADLO Nc1cc(COC(=O)c2ccc(-c3ccc(F)cc3)s2)cc[nH+]1 ZINC000787584144 1134019476 /nfs/dbraw/zinc/01/94/76/1134019476.db2.gz HVZUIPKIFYLXEK-UHFFFAOYSA-N 1 2 328.368 3.888 20 0 EHADLO O=C1c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2CN1C1CC1 ZINC001185042338 1134023905 /nfs/dbraw/zinc/02/39/05/1134023905.db2.gz FWWUECDGSVUSRZ-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)OCO2 ZINC000774831895 1134040163 /nfs/dbraw/zinc/04/01/63/1134040163.db2.gz OGMBMGLCDMGGFZ-ZETCQYMHSA-N 1 2 345.267 3.962 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2ccc(Cl)cn2)cs1 ZINC001157332613 1134098439 /nfs/dbraw/zinc/09/84/39/1134098439.db2.gz DSIUNAOAMNILLK-UHFFFAOYSA-N 1 2 342.921 3.598 20 0 EHADLO C[C@H](Oc1ccc(C(=O)OCc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000788367089 1134117555 /nfs/dbraw/zinc/11/75/55/1134117555.db2.gz XKRATQUAEHARAC-HNNXBMFYSA-N 1 2 336.391 3.917 20 0 EHADLO Fc1c[nH]c2nc[nH+]c(NCC[C@@H]3CCc4ccc5c(c43)CCO5)c12 ZINC001170084402 1134118788 /nfs/dbraw/zinc/11/87/88/1134118788.db2.gz KQDVARAOVHYLPH-LBPRGKRZSA-N 1 2 338.386 3.516 20 0 EHADLO Cc1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)nc(C2CCC2)[nH+]1 ZINC001185736106 1134126588 /nfs/dbraw/zinc/12/65/88/1134126588.db2.gz OTYXKPTVRIXSJV-CQSZACIVSA-N 1 2 343.862 3.792 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(OC(F)F)cc1 ZINC000774933172 1134137226 /nfs/dbraw/zinc/13/72/26/1134137226.db2.gz HJGOBYNZWXWTHX-JTQLQIEISA-N 1 2 325.359 3.819 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC000075023321 1134267945 /nfs/dbraw/zinc/26/79/45/1134267945.db2.gz QFWVCWTXLDIBOW-YOEHRIQHSA-N 1 2 337.872 3.683 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC000075023321 1134267948 /nfs/dbraw/zinc/26/79/48/1134267948.db2.gz QFWVCWTXLDIBOW-YOEHRIQHSA-N 1 2 337.872 3.683 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2nc(C)c(Br)c(Cl)n2)c1 ZINC001203654302 1134294406 /nfs/dbraw/zinc/29/44/06/1134294406.db2.gz HACWWCZDDUHBKR-UHFFFAOYSA-N 1 2 327.613 3.956 20 0 EHADLO CCOC(=O)c1sc2nccnc2c1Nc1cc(C)c[nH+]c1C ZINC001203656048 1134316000 /nfs/dbraw/zinc/31/60/00/1134316000.db2.gz IZQJMUXSQGGILQ-UHFFFAOYSA-N 1 2 328.397 3.623 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000789777683 1134333417 /nfs/dbraw/zinc/33/34/17/1134333417.db2.gz UYVSVLIBGWFSEF-UHFFFAOYSA-N 1 2 347.827 3.597 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(-c2ccccc2F)o1 ZINC000789791987 1134335793 /nfs/dbraw/zinc/33/57/93/1134335793.db2.gz OIUJJKCLYBMIPN-UHFFFAOYSA-N 1 2 328.343 3.609 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cc1F ZINC001187966039 1134412237 /nfs/dbraw/zinc/41/22/37/1134412237.db2.gz NWWJCKHBQFDOKY-UHFFFAOYSA-N 1 2 329.375 3.604 20 0 EHADLO Cc1ccc([C@@H]2CC(=O)N(C[N@@H+]3CCc4cc(C)ccc4C3)C2)cc1 ZINC000790452774 1134420528 /nfs/dbraw/zinc/42/05/28/1134420528.db2.gz QWNHSWNMABAZRT-OAQYLSRUSA-N 1 2 334.463 3.635 20 0 EHADLO Cc1ccc([C@@H]2CC(=O)N(C[N@H+]3CCc4cc(C)ccc4C3)C2)cc1 ZINC000790452774 1134420531 /nfs/dbraw/zinc/42/05/31/1134420531.db2.gz QWNHSWNMABAZRT-OAQYLSRUSA-N 1 2 334.463 3.635 20 0 EHADLO C[C@@H]1CCN(C(=O)OCc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC001188109486 1134428626 /nfs/dbraw/zinc/42/86/26/1134428626.db2.gz KIHBQJCRYXONKL-CJNGLKHVSA-N 1 2 333.819 3.756 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001188173129 1134436201 /nfs/dbraw/zinc/43/62/01/1134436201.db2.gz NVKPBZIJAXSLSZ-UHFFFAOYSA-N 1 2 327.428 3.567 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001188173129 1134436204 /nfs/dbraw/zinc/43/62/04/1134436204.db2.gz NVKPBZIJAXSLSZ-UHFFFAOYSA-N 1 2 327.428 3.567 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001188386687 1134457528 /nfs/dbraw/zinc/45/75/28/1134457528.db2.gz HFAWFQZCKSBNRD-UHFFFAOYSA-N 1 2 349.793 3.949 20 0 EHADLO COc1cc(Cl)c(Cl)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000791123593 1134506541 /nfs/dbraw/zinc/50/65/41/1134506541.db2.gz MPBLPEVBLWJYMM-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C[C@@](C)(C3CCCC3)CC2=O)cc1 ZINC000780428896 1134518315 /nfs/dbraw/zinc/51/83/15/1134518315.db2.gz WAPPIXYGXBDEOC-FQEVSTJZSA-N 1 2 330.472 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C[C@@](C)(C3CCCC3)CC2=O)cc1 ZINC000780428896 1134518318 /nfs/dbraw/zinc/51/83/18/1134518318.db2.gz WAPPIXYGXBDEOC-FQEVSTJZSA-N 1 2 330.472 3.513 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2cnco2)c1 ZINC001188932746 1134522439 /nfs/dbraw/zinc/52/24/39/1134522439.db2.gz STCOGRBAULPXPA-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1c(F)cccc1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001189044938 1134536747 /nfs/dbraw/zinc/53/67/47/1134536747.db2.gz OBDTUWNJWXPPGW-OAHLLOKOSA-N 1 2 329.375 3.604 20 0 EHADLO COc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)ccc1F ZINC000791417903 1134548454 /nfs/dbraw/zinc/54/84/54/1134548454.db2.gz MDZQBBGKQOHCGS-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1ccc(F)c(F)c1 ZINC000791414941 1134548624 /nfs/dbraw/zinc/54/86/24/1134548624.db2.gz VTSQQRNHKFPCTR-UHFFFAOYSA-N 1 2 342.345 3.745 20 0 EHADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)c(C)n1C1CCCCC1 ZINC000791541098 1134566153 /nfs/dbraw/zinc/56/61/53/1134566153.db2.gz YJOFIYBQUQSMLM-UHFFFAOYSA-N 1 2 327.428 3.944 20 0 EHADLO Nc1cc(COC(=O)/C=C\c2cccc(OC3CCCC3)c2)cc[nH+]1 ZINC000791841138 1134618742 /nfs/dbraw/zinc/61/87/42/1134618742.db2.gz WKERFFLLTOCTRL-HJWRWDBZSA-N 1 2 338.407 3.742 20 0 EHADLO CC1(CNC(=O)c2ccccc2-n2cc[nH+]c2)CCC(F)(F)CC1 ZINC001190111928 1134661097 /nfs/dbraw/zinc/66/10/97/1134661097.db2.gz AIQPIIFQNKBTDA-UHFFFAOYSA-N 1 2 333.382 3.818 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2ccsc2Cl)C2CC2)cc1 ZINC000792162995 1134661635 /nfs/dbraw/zinc/66/16/35/1134661635.db2.gz UPXAYENOBYTXPL-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2ccsc2Cl)C2CC2)cc1 ZINC000792162995 1134661640 /nfs/dbraw/zinc/66/16/40/1134661640.db2.gz UPXAYENOBYTXPL-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO Cc1nc(S(C)(=O)=O)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718242 1134681045 /nfs/dbraw/zinc/68/10/45/1134681045.db2.gz XMZTXDPKQGTQPT-UHFFFAOYSA-N 1 2 345.468 3.527 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2oc3ccccc3c2c1)c1nnnn1C1CC1 ZINC000792471145 1134690400 /nfs/dbraw/zinc/69/04/00/1134690400.db2.gz QHOVKBMGYNHFMW-GFCCVEGCSA-N 1 2 333.395 3.758 20 0 EHADLO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001170250815 1134732269 /nfs/dbraw/zinc/73/22/69/1134732269.db2.gz SSQIHRNSMOIKOI-CABCVRRESA-N 1 2 331.843 3.993 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc[nH+]c2c1CCC2 ZINC001190710434 1134736495 /nfs/dbraw/zinc/73/64/95/1134736495.db2.gz FEOHUUMWMREVAV-UHFFFAOYSA-N 1 2 337.301 3.535 20 0 EHADLO COCC[N@H+](CCCOc1ccc(F)cc1)C/C(Cl)=C\Cl ZINC001190895410 1134764768 /nfs/dbraw/zinc/76/47/68/1134764768.db2.gz RZCMQQCMXJZXNX-ACCUITESSA-N 1 2 336.234 3.862 20 0 EHADLO COCC[N@@H+](CCCOc1ccc(F)cc1)C/C(Cl)=C\Cl ZINC001190895410 1134764773 /nfs/dbraw/zinc/76/47/73/1134764773.db2.gz RZCMQQCMXJZXNX-ACCUITESSA-N 1 2 336.234 3.862 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000792856891 1134799992 /nfs/dbraw/zinc/79/99/92/1134799992.db2.gz BDRDVRGRINYCPR-QGZVFWFLSA-N 1 2 340.471 3.840 20 0 EHADLO CN(c1nc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cs1)C1CC1 ZINC000792899784 1134817184 /nfs/dbraw/zinc/81/71/84/1134817184.db2.gz DXRMGYDSFHLVEM-GXTWGEPZSA-N 1 2 346.327 3.757 20 0 EHADLO CN(c1nc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cs1)C1CC1 ZINC000792899784 1134817192 /nfs/dbraw/zinc/81/71/92/1134817192.db2.gz DXRMGYDSFHLVEM-GXTWGEPZSA-N 1 2 346.327 3.757 20 0 EHADLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@@H]1C2(Cl)Cl ZINC000792903770 1134818090 /nfs/dbraw/zinc/81/80/90/1134818090.db2.gz OPCRHQKKANHJNH-GXTWGEPZSA-N 1 2 347.673 3.794 20 0 EHADLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@@H]1C2(Cl)Cl ZINC000792903770 1134818093 /nfs/dbraw/zinc/81/80/93/1134818093.db2.gz OPCRHQKKANHJNH-GXTWGEPZSA-N 1 2 347.673 3.794 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000793167905 1134859873 /nfs/dbraw/zinc/85/98/73/1134859873.db2.gz NHFHCROZIXYZLT-OAHLLOKOSA-N 1 2 346.862 3.654 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000793251563 1134889022 /nfs/dbraw/zinc/88/90/22/1134889022.db2.gz GRVJADCOKZEQLS-UHFFFAOYSA-N 1 2 332.469 3.596 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000793250518 1134889143 /nfs/dbraw/zinc/88/91/43/1134889143.db2.gz IVBNECPAPZEBRO-UHFFFAOYSA-N 1 2 330.384 3.687 20 0 EHADLO CC(C)COc1ccc(C(C)(C)C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793255361 1134890743 /nfs/dbraw/zinc/89/07/43/1134890743.db2.gz JPWWOCAXJWNBPQ-UHFFFAOYSA-N 1 2 344.455 3.518 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000793258169 1134892000 /nfs/dbraw/zinc/89/20/00/1134892000.db2.gz JTSOYPRXJOCXSC-UHFFFAOYSA-N 1 2 346.858 3.962 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3cccc4c3CCO4)CC2)cc1 ZINC000793326996 1134905833 /nfs/dbraw/zinc/90/58/33/1134905833.db2.gz YTJPTRKBPFZBKU-UHFFFAOYSA-N 1 2 337.467 3.768 20 0 EHADLO Cc1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC001191736581 1134914750 /nfs/dbraw/zinc/91/47/50/1134914750.db2.gz FBYKMZXEJGGLAG-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO O=C(/C=C/c1cccnc1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390653 1134921845 /nfs/dbraw/zinc/92/18/45/1134921845.db2.gz ITJPBILXOLIOOJ-IZZDOVSWSA-N 1 2 345.402 3.900 20 0 EHADLO CCOc1ccc(C)cc1S(=O)(=O)Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001191787929 1134922238 /nfs/dbraw/zinc/92/22/38/1134922238.db2.gz HBKHCOGVKHPUFJ-UHFFFAOYSA-N 1 2 348.468 3.887 20 0 EHADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC001191837325 1134933690 /nfs/dbraw/zinc/93/36/90/1134933690.db2.gz CEHIFEMSGLXUFM-AWEZNQCLSA-N 1 2 343.421 3.775 20 0 EHADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCSC1CCCCC1 ZINC001191976702 1134954261 /nfs/dbraw/zinc/95/42/61/1134954261.db2.gz ILHOWZKKDIBENH-GOSISDBHSA-N 1 2 333.497 3.825 20 0 EHADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCSC1CCCCC1 ZINC001191976702 1134954267 /nfs/dbraw/zinc/95/42/67/1134954267.db2.gz ILHOWZKKDIBENH-GOSISDBHSA-N 1 2 333.497 3.825 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](F)C2)cc1 ZINC001170434316 1134960474 /nfs/dbraw/zinc/96/04/74/1134960474.db2.gz GQFXBZPXGUVUJY-ZWKOTPCHSA-N 1 2 332.463 3.691 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](F)C2)cc1 ZINC001170434316 1134960477 /nfs/dbraw/zinc/96/04/77/1134960477.db2.gz GQFXBZPXGUVUJY-ZWKOTPCHSA-N 1 2 332.463 3.691 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2ccccn2)n1 ZINC001192103099 1134965373 /nfs/dbraw/zinc/96/53/73/1134965373.db2.gz HEPOQQMTZPYBIJ-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000747169352 1135012799 /nfs/dbraw/zinc/01/27/99/1135012799.db2.gz KJOKCZRJGWZPDI-UHFFFAOYSA-N 1 2 348.431 3.925 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(CC(F)(F)F)CC2)c(N(C)C)[nH+]1 ZINC000794242478 1135030622 /nfs/dbraw/zinc/03/06/22/1135030622.db2.gz HBHSSVPMOONDLD-UHFFFAOYSA-N 1 2 344.381 3.652 20 0 EHADLO Cc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c(Cl)n1 ZINC000794213529 1135033669 /nfs/dbraw/zinc/03/36/69/1135033669.db2.gz NLMDKDHZCOQYLI-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(Cc3ccc(F)cc3)no2)cc1 ZINC001192731006 1135048558 /nfs/dbraw/zinc/04/85/58/1135048558.db2.gz SAYIIJRUXCPTSW-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@@H](NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC001193112641 1135103895 /nfs/dbraw/zinc/10/38/95/1135103895.db2.gz LOPNGYLMGRZCNY-CQSZACIVSA-N 1 2 343.402 3.535 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001193674952 1135170044 /nfs/dbraw/zinc/17/00/44/1135170044.db2.gz NAWMMADNIXSRIC-CYBMUJFWSA-N 1 2 342.252 3.979 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001193674952 1135170046 /nfs/dbraw/zinc/17/00/46/1135170046.db2.gz NAWMMADNIXSRIC-CYBMUJFWSA-N 1 2 342.252 3.979 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c[nH]2)cc1 ZINC001193775081 1135178927 /nfs/dbraw/zinc/17/89/27/1135178927.db2.gz PPCUUQQXISBJFT-INIZCTEOSA-N 1 2 334.423 3.733 20 0 EHADLO CCCC[C@H](CC)COC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001193944139 1135211571 /nfs/dbraw/zinc/21/15/71/1135211571.db2.gz IEMADTDGNJCFKQ-KRWDZBQOSA-N 1 2 333.476 3.947 20 0 EHADLO CCC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H](C)C(=O)OCC ZINC001194029563 1135217063 /nfs/dbraw/zinc/21/70/63/1135217063.db2.gz HGYZPVKVXDQUPB-LLVKDONJSA-N 1 2 333.350 3.575 20 0 EHADLO CCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H](C)C(=O)OCC ZINC001194029563 1135217067 /nfs/dbraw/zinc/21/70/67/1135217067.db2.gz HGYZPVKVXDQUPB-LLVKDONJSA-N 1 2 333.350 3.575 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(Oc3ccccn3)c2)cc(C)[nH+]1 ZINC001130047257 1135227290 /nfs/dbraw/zinc/22/72/90/1135227290.db2.gz ZINXFXSBQBBZQQ-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OC2CCCC2)CC1 ZINC001194389827 1135263506 /nfs/dbraw/zinc/26/35/06/1135263506.db2.gz BWLDZUOLMCHWPT-SFHVURJKSA-N 1 2 334.435 3.974 20 0 EHADLO CC[C@@H]1CC([NH+]2C[C@@H](F)[C@H](F)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484409 1135295342 /nfs/dbraw/zinc/29/53/42/1135295342.db2.gz NKFFBMAFRHRISL-RRCSTGOVSA-N 1 2 346.462 3.935 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000805826540 1135336858 /nfs/dbraw/zinc/33/68/58/1135336858.db2.gz CEAGFYBPPSIBRG-MRXNPFEDSA-N 1 2 349.475 3.650 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000805826540 1135336865 /nfs/dbraw/zinc/33/68/65/1135336865.db2.gz CEAGFYBPPSIBRG-MRXNPFEDSA-N 1 2 349.475 3.650 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)CCC1(F)F ZINC001194888122 1135342611 /nfs/dbraw/zinc/34/26/11/1135342611.db2.gz UZVSXGJKVYORMW-CYBMUJFWSA-N 1 2 333.382 3.595 20 0 EHADLO CSCc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000806362062 1135435486 /nfs/dbraw/zinc/43/54/86/1135435486.db2.gz RGUGMHUAKFQRLP-UHFFFAOYSA-N 1 2 344.484 3.641 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195659048 1135453351 /nfs/dbraw/zinc/45/33/51/1135453351.db2.gz SLZXNDMGMCCHIY-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCSc1cccc(OC)c1 ZINC001195704125 1135457302 /nfs/dbraw/zinc/45/73/02/1135457302.db2.gz GWNNBQRWUVGMJP-MRXNPFEDSA-N 1 2 339.501 3.839 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCSc1cccc(OC)c1 ZINC001195704125 1135457306 /nfs/dbraw/zinc/45/73/06/1135457306.db2.gz GWNNBQRWUVGMJP-MRXNPFEDSA-N 1 2 339.501 3.839 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000775668850 1135457579 /nfs/dbraw/zinc/45/75/79/1135457579.db2.gz ZDXSHGVBUMMEPI-NOZJJQNGSA-N 1 2 341.814 3.544 20 0 EHADLO CCOC(=O)c1csc(/C=C/c2cc(-n3cc[nH+]c3)cs2)n1 ZINC000806562763 1135460980 /nfs/dbraw/zinc/46/09/80/1135460980.db2.gz MBFWAEVGFZMUHR-ONEGZZNKSA-N 1 2 331.422 3.737 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000806762774 1135486579 /nfs/dbraw/zinc/48/65/79/1135486579.db2.gz JPSULVZBWFUQLS-IBGZPJMESA-N 1 2 349.434 3.647 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679981 1135504492 /nfs/dbraw/zinc/50/44/92/1135504492.db2.gz YBGXJMDLXVVBFS-MGPQQGTHSA-N 1 2 336.863 3.523 20 0 EHADLO C[C@H](Cc1nc(-c2ccsc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000867157190 1135512845 /nfs/dbraw/zinc/51/28/45/1135512845.db2.gz UCWAMEDJWHHJPL-MRVPVSSYSA-N 1 2 328.319 3.817 20 0 EHADLO OC[C@H]([NH2+]Cc1cncc(Cl)c1)c1cccc(Cl)c1Cl ZINC001196284947 1135543188 /nfs/dbraw/zinc/54/31/88/1135543188.db2.gz HHWUQCZEYNCZDE-ZDUSSCGKSA-N 1 2 331.630 3.865 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730707 1135591342 /nfs/dbraw/zinc/59/13/42/1135591342.db2.gz GKBAIRYZNMEQBZ-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730707 1135591347 /nfs/dbraw/zinc/59/13/47/1135591347.db2.gz GKBAIRYZNMEQBZ-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732422 1135591595 /nfs/dbraw/zinc/59/15/95/1135591595.db2.gz WVPLCHJWXVXOMA-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732422 1135591598 /nfs/dbraw/zinc/59/15/98/1135591598.db2.gz WVPLCHJWXVXOMA-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccnc(C(F)(F)F)c1 ZINC000808665405 1135712895 /nfs/dbraw/zinc/71/28/95/1135712895.db2.gz PANJGESTQFJBEL-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726240 1135723354 /nfs/dbraw/zinc/72/33/54/1135723354.db2.gz UYVMSNKOFMNGDX-LZJOCLMNSA-N 1 2 348.450 3.618 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726240 1135723363 /nfs/dbraw/zinc/72/33/63/1135723363.db2.gz UYVMSNKOFMNGDX-LZJOCLMNSA-N 1 2 348.450 3.618 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726238 1135723612 /nfs/dbraw/zinc/72/36/12/1135723612.db2.gz UYVMSNKOFMNGDX-CBGDNZLLSA-N 1 2 348.450 3.618 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726238 1135723616 /nfs/dbraw/zinc/72/36/16/1135723616.db2.gz UYVMSNKOFMNGDX-CBGDNZLLSA-N 1 2 348.450 3.618 20 0 EHADLO Cc1ccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001197952094 1135757054 /nfs/dbraw/zinc/75/70/54/1135757054.db2.gz BFNVIKDVDSTKSU-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@@H+]2CCCc2ccccc2C)o1 ZINC001197992361 1135764427 /nfs/dbraw/zinc/76/44/27/1135764427.db2.gz XHUBOCIEZRNTBI-IBGZPJMESA-N 1 2 329.440 3.741 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@H+]2CCCc2ccccc2C)o1 ZINC001197992361 1135764431 /nfs/dbraw/zinc/76/44/31/1135764431.db2.gz XHUBOCIEZRNTBI-IBGZPJMESA-N 1 2 329.440 3.741 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)no1 ZINC001198604643 1135836725 /nfs/dbraw/zinc/83/67/25/1135836725.db2.gz ONIQXRFBLUHCCB-INIZCTEOSA-N 1 2 329.444 3.715 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)no1 ZINC001198604643 1135836728 /nfs/dbraw/zinc/83/67/28/1135836728.db2.gz ONIQXRFBLUHCCB-INIZCTEOSA-N 1 2 329.444 3.715 20 0 EHADLO COc1ncc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)cc1Cl ZINC001198708043 1135851464 /nfs/dbraw/zinc/85/14/64/1135851464.db2.gz WBFOPOPBEPDKDO-KRWDZBQOSA-N 1 2 332.831 3.707 20 0 EHADLO COc1ncc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)cc1Cl ZINC001198708043 1135851469 /nfs/dbraw/zinc/85/14/69/1135851469.db2.gz WBFOPOPBEPDKDO-KRWDZBQOSA-N 1 2 332.831 3.707 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c(C)c1OC ZINC000809582371 1135853655 /nfs/dbraw/zinc/85/36/55/1135853655.db2.gz XKSFOANVXRYBKX-BEFAXECRSA-N 1 2 341.451 3.974 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c(C)c1OC ZINC000809582371 1135853659 /nfs/dbraw/zinc/85/36/59/1135853659.db2.gz XKSFOANVXRYBKX-BEFAXECRSA-N 1 2 341.451 3.974 20 0 EHADLO Fc1c(Cl)ccc(Br)c1C[NH2+]CCN1CCCCC1 ZINC001199126965 1135881728 /nfs/dbraw/zinc/88/17/28/1135881728.db2.gz JFTMXGQOQRTFHX-UHFFFAOYSA-N 1 2 349.675 3.817 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001199320150 1135897768 /nfs/dbraw/zinc/89/77/68/1135897768.db2.gz JSCGGPMKLSQIEU-CYBMUJFWSA-N 1 2 331.485 3.740 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2ncc(C(C)C)s2)c1 ZINC001199365345 1135900727 /nfs/dbraw/zinc/90/07/27/1135900727.db2.gz HNMAPFJFHIPBKN-UHFFFAOYSA-N 1 2 331.485 3.696 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cnn(C)n2)[C@H]2CCc3ccccc32)cc1 ZINC000809956317 1135905857 /nfs/dbraw/zinc/90/58/57/1135905857.db2.gz ISARQMGCUYQHJT-NRFANRHFSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cnn(C)n2)[C@H]2CCc3ccccc32)cc1 ZINC000809956317 1135905860 /nfs/dbraw/zinc/90/58/60/1135905860.db2.gz ISARQMGCUYQHJT-NRFANRHFSA-N 1 2 332.451 3.813 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810093012 1135923300 /nfs/dbraw/zinc/92/33/00/1135923300.db2.gz KEYLKICRAWRLJD-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810093012 1135923302 /nfs/dbraw/zinc/92/33/02/1135923302.db2.gz KEYLKICRAWRLJD-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1cccnc1F ZINC000810155647 1135932658 /nfs/dbraw/zinc/93/26/58/1135932658.db2.gz BRWZGKHRNWFWIC-UHFFFAOYSA-N 1 2 328.218 3.883 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCCc1ccccc1 ZINC000810538410 1135974333 /nfs/dbraw/zinc/97/43/33/1135974333.db2.gz DHXVSGHYILIUIX-UHFFFAOYSA-N 1 2 334.419 3.650 20 0 EHADLO Cc1cc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)ccc1F ZINC001201030169 1135979772 /nfs/dbraw/zinc/97/97/72/1135979772.db2.gz MLIYDLCAGRYPCB-UHFFFAOYSA-N 1 2 345.443 3.769 20 0 EHADLO Cc1cc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001201033994 1135980317 /nfs/dbraw/zinc/98/03/17/1135980317.db2.gz JOMSSCLNHQZSLR-INIZCTEOSA-N 1 2 345.443 3.769 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001132408178 1135997203 /nfs/dbraw/zinc/99/72/03/1135997203.db2.gz CVDHWZGWUPADQK-NYVOZVTQSA-N 1 2 348.490 3.948 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001132408178 1135997205 /nfs/dbraw/zinc/99/72/05/1135997205.db2.gz CVDHWZGWUPADQK-NYVOZVTQSA-N 1 2 348.490 3.948 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccccc3)nn2CC(F)(F)F)c[nH+]1 ZINC001201279971 1136000499 /nfs/dbraw/zinc/00/04/99/1136000499.db2.gz WSKOZJJOSGULIE-UHFFFAOYSA-N 1 2 333.317 3.833 20 0 EHADLO COc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(N)[nH+]c1 ZINC001201279693 1136000643 /nfs/dbraw/zinc/00/06/43/1136000643.db2.gz YPDVLIFSTCKNSS-UHFFFAOYSA-N 1 2 337.427 3.899 20 0 EHADLO CC(C)(C)OC(=O)n1ncc2c1cccc2Nc1ccc(N)[nH+]c1 ZINC001201285703 1136001173 /nfs/dbraw/zinc/00/11/73/1136001173.db2.gz MYZLLUABKMBQLZ-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO CC(C)(C)OC(=O)Nc1nc(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201278928 1136003530 /nfs/dbraw/zinc/00/35/30/1136003530.db2.gz JTODMQMMPHYPPP-UHFFFAOYSA-N 1 2 335.795 3.803 20 0 EHADLO CC(C)(C)OC(=O)n1cnc2cc(Nc3ccc(N)[nH+]c3)ccc21 ZINC001201295811 1136003663 /nfs/dbraw/zinc/00/36/63/1136003663.db2.gz SBNDVFVXWMAGDU-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO Cc1cnn(-c2ccccc2Br)c1Nc1ccc(N)[nH+]c1 ZINC001201278809 1136003853 /nfs/dbraw/zinc/00/38/53/1136003853.db2.gz HDKJCQHXWWEEJP-UHFFFAOYSA-N 1 2 344.216 3.664 20 0 EHADLO Nc1ccc(Nc2ccc(-c3ccc(N4CCOCC4)cc3)cc2)c[nH+]1 ZINC001201299615 1136004763 /nfs/dbraw/zinc/00/47/63/1136004763.db2.gz GULSLHCNBQWXHE-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001201515403 1136036635 /nfs/dbraw/zinc/03/66/35/1136036635.db2.gz SYLQGTIFOWVCOD-UHFFFAOYSA-N 1 2 343.789 3.895 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\Sc2ccccc2)c1C ZINC000747672182 1136044775 /nfs/dbraw/zinc/04/47/75/1136044775.db2.gz HZWJEXBPKOBOBH-KTKRTIGZSA-N 1 2 328.437 3.629 20 0 EHADLO COC(=O)Nc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001201645959 1136051169 /nfs/dbraw/zinc/05/11/69/1136051169.db2.gz XYIXQTMFZVDZIZ-UHFFFAOYSA-N 1 2 340.358 3.802 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1Cl ZINC000811512978 1136102828 /nfs/dbraw/zinc/10/28/28/1136102828.db2.gz BRZIXOONCFHTCP-LBPRGKRZSA-N 1 2 333.785 3.857 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1Cl ZINC000811512978 1136102830 /nfs/dbraw/zinc/10/28/30/1136102830.db2.gz BRZIXOONCFHTCP-LBPRGKRZSA-N 1 2 333.785 3.857 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1ccccc1C(F)(F)F ZINC001202175519 1136105584 /nfs/dbraw/zinc/10/55/84/1136105584.db2.gz UPHWWGGZKMAHGI-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO Cc1cc(NC(=O)NCCCCCc2ccc(F)cc2)c(C)c[nH+]1 ZINC001202244583 1136119255 /nfs/dbraw/zinc/11/92/55/1136119255.db2.gz ISQOUXLEUDWDFR-UHFFFAOYSA-N 1 2 329.419 3.794 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000811744584 1136128735 /nfs/dbraw/zinc/12/87/35/1136128735.db2.gz AISVBIXERXOKIJ-GFCCVEGCSA-N 1 2 344.406 3.942 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000811744584 1136128736 /nfs/dbraw/zinc/12/87/36/1136128736.db2.gz AISVBIXERXOKIJ-GFCCVEGCSA-N 1 2 344.406 3.942 20 0 EHADLO Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccc(F)cc2)c1 ZINC001202320974 1136128920 /nfs/dbraw/zinc/12/89/20/1136128920.db2.gz OSBKSGUFPFALFN-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccncc2OCc2ccccc2)s1 ZINC001202365967 1136134165 /nfs/dbraw/zinc/13/41/65/1136134165.db2.gz IHIKTOKHOJWAMX-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C3(C)CC3)c(=O)cc2C)cc1 ZINC000811755310 1136135949 /nfs/dbraw/zinc/13/59/49/1136135949.db2.gz ODVBXZXEFOLFBL-INIZCTEOSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C3(C)CC3)c(=O)cc2C)cc1 ZINC000811755310 1136135952 /nfs/dbraw/zinc/13/59/52/1136135952.db2.gz ODVBXZXEFOLFBL-INIZCTEOSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751903 1136136078 /nfs/dbraw/zinc/13/60/78/1136136078.db2.gz IRISOZZOSGDYAI-YJBOKZPZSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751903 1136136080 /nfs/dbraw/zinc/13/60/80/1136136080.db2.gz IRISOZZOSGDYAI-YJBOKZPZSA-N 1 2 325.456 3.605 20 0 EHADLO CCCOc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001202397795 1136142400 /nfs/dbraw/zinc/14/24/00/1136142400.db2.gz XKEBOWBRSWOQPK-UHFFFAOYSA-N 1 2 342.443 3.567 20 0 EHADLO Cc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc(Cl)n1 ZINC000811837903 1136143656 /nfs/dbraw/zinc/14/36/56/1136143656.db2.gz JNIKSVNEKRXOFL-UHFFFAOYSA-N 1 2 331.725 3.992 20 0 EHADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccc(F)cc2)cc1 ZINC001202439747 1136143831 /nfs/dbraw/zinc/14/38/31/1136143831.db2.gz DDSIWUFMWQPTOH-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@@H](NCc1c(F)cccc1OC(F)F)c1cn2c([nH+]1)CCCC2 ZINC000925486258 1136173902 /nfs/dbraw/zinc/17/39/02/1136173902.db2.gz QHEPXFMZWYVJLO-LLVKDONJSA-N 1 2 339.361 3.811 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1=S ZINC000812293986 1136195470 /nfs/dbraw/zinc/19/54/70/1136195470.db2.gz CCZVMSXGFIMHKL-GFCCVEGCSA-N 1 2 349.410 3.668 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@H+]2CC[C@@H](n3cccn3)C2)c1=S ZINC000812293986 1136195471 /nfs/dbraw/zinc/19/54/71/1136195471.db2.gz CCZVMSXGFIMHKL-GFCCVEGCSA-N 1 2 349.410 3.668 20 0 EHADLO CC[N@H+](C[C@@H](C)OC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000812303024 1136196848 /nfs/dbraw/zinc/19/68/48/1136196848.db2.gz JYEBRZURKYRTGR-LLVKDONJSA-N 1 2 329.416 3.882 20 0 EHADLO CC[N@@H+](C[C@@H](C)OC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000812303024 1136196850 /nfs/dbraw/zinc/19/68/50/1136196850.db2.gz JYEBRZURKYRTGR-LLVKDONJSA-N 1 2 329.416 3.882 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)Nc3c(C)c[nH+]cc3C)s2)o1 ZINC001133455097 1136253648 /nfs/dbraw/zinc/25/36/48/1136253648.db2.gz AJNDVENRRZWSPC-UHFFFAOYSA-N 1 2 327.409 3.706 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747833468 1136280255 /nfs/dbraw/zinc/28/02/55/1136280255.db2.gz WVULBSZGQZSBHM-HZPDHXFCSA-N 1 2 345.468 3.579 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747833468 1136280258 /nfs/dbraw/zinc/28/02/58/1136280258.db2.gz WVULBSZGQZSBHM-HZPDHXFCSA-N 1 2 345.468 3.579 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc(F)c(-n3cc[nH+]c3)c2)CC1 ZINC001170702640 1136314009 /nfs/dbraw/zinc/31/40/09/1136314009.db2.gz SILMJEPKSRAPGE-SHTZXODSSA-N 1 2 345.418 3.935 20 0 EHADLO Cc1nc2c(s1)[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)CCC2 ZINC000813866239 1136368935 /nfs/dbraw/zinc/36/89/35/1136368935.db2.gz NCEFSHVRXILCPM-CABCVRRESA-N 1 2 331.489 3.858 20 0 EHADLO CC(C)c1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000851400945 1136376777 /nfs/dbraw/zinc/37/67/77/1136376777.db2.gz XXHPNFZVVZKIEA-UHFFFAOYSA-N 1 2 339.439 3.673 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000851400081 1136376855 /nfs/dbraw/zinc/37/68/55/1136376855.db2.gz QNUZFHOSSNTNFO-UHFFFAOYSA-N 1 2 348.805 3.948 20 0 EHADLO CO[C@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839613 1136412838 /nfs/dbraw/zinc/41/28/38/1136412838.db2.gz ZLXHPRQTEFQRSV-NEPJUHHUSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@H]1CC[C@@H]([N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839613 1136412842 /nfs/dbraw/zinc/41/28/42/1136412842.db2.gz ZLXHPRQTEFQRSV-NEPJUHHUSA-N 1 2 349.272 3.856 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265948564 1136413923 /nfs/dbraw/zinc/41/39/23/1136413923.db2.gz OSYOYALYOVNMKZ-OAHLLOKOSA-N 1 2 330.432 3.614 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000851980352 1136424784 /nfs/dbraw/zinc/42/47/84/1136424784.db2.gz GCIJXVWVNNDTIN-IBGZPJMESA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000851980352 1136424786 /nfs/dbraw/zinc/42/47/86/1136424786.db2.gz GCIJXVWVNNDTIN-IBGZPJMESA-N 1 2 347.459 3.527 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)Nc1cccnc1Cl ZINC000852564720 1136467185 /nfs/dbraw/zinc/46/71/85/1136467185.db2.gz RAJWMNBHEXALHP-UHFFFAOYSA-N 1 2 347.821 3.725 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)Nc1cccnc1Cl ZINC000852564720 1136467187 /nfs/dbraw/zinc/46/71/87/1136467187.db2.gz RAJWMNBHEXALHP-UHFFFAOYSA-N 1 2 347.821 3.725 20 0 EHADLO O=C1CSc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2N1 ZINC000338948365 1136468703 /nfs/dbraw/zinc/46/87/03/1136468703.db2.gz MAMVBDPDKPLQAC-UHFFFAOYSA-N 1 2 342.449 3.590 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852629472 1136472104 /nfs/dbraw/zinc/47/21/04/1136472104.db2.gz CAUNALUTEFIDMD-MRXNPFEDSA-N 1 2 342.483 3.974 20 0 EHADLO C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000852681147 1136477179 /nfs/dbraw/zinc/47/71/79/1136477179.db2.gz LVHOTISCHAFVTB-WBVHZDCISA-N 1 2 332.492 3.526 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138004828 1136481594 /nfs/dbraw/zinc/48/15/94/1136481594.db2.gz IIHNGANCDCBFQV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138004828 1136481595 /nfs/dbraw/zinc/48/15/95/1136481595.db2.gz IIHNGANCDCBFQV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)CC1=CCSC1 ZINC000852747636 1136483085 /nfs/dbraw/zinc/48/30/85/1136483085.db2.gz QZOOJTYPGSFCDG-UHFFFAOYSA-N 1 2 347.915 3.998 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)CC1=CCSC1 ZINC000852747636 1136483088 /nfs/dbraw/zinc/48/30/88/1136483088.db2.gz QZOOJTYPGSFCDG-UHFFFAOYSA-N 1 2 347.915 3.998 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000852771744 1136484926 /nfs/dbraw/zinc/48/49/26/1136484926.db2.gz CKOKDWAEQDVIQW-SFHVURJKSA-N 1 2 330.863 3.611 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cncc(C(C)C)c1 ZINC001134668279 1136505338 /nfs/dbraw/zinc/50/53/38/1136505338.db2.gz OVPNDNDQTJJOSR-UHFFFAOYSA-N 1 2 344.365 3.780 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc3ncsc3c2)c1C ZINC000747976256 1136505418 /nfs/dbraw/zinc/50/54/18/1136505418.db2.gz SNUVOHPDZJXMLZ-UHFFFAOYSA-N 1 2 342.424 3.638 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CN2CC3(CCCC3)CC2=O)cc1F ZINC000853563439 1136544471 /nfs/dbraw/zinc/54/44/71/1136544471.db2.gz VISWDMFOHXNCOI-QGZVFWFLSA-N 1 2 346.446 3.721 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CN2CC3(CCCC3)CC2=O)cc1F ZINC000853563439 1136544477 /nfs/dbraw/zinc/54/44/77/1136544477.db2.gz VISWDMFOHXNCOI-QGZVFWFLSA-N 1 2 346.446 3.721 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1F ZINC000853563373 1136545072 /nfs/dbraw/zinc/54/50/72/1136545072.db2.gz SZLAFPYIVJBXIT-WMZOPIPTSA-N 1 2 346.446 3.576 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1F ZINC000853563373 1136545076 /nfs/dbraw/zinc/54/50/76/1136545076.db2.gz SZLAFPYIVJBXIT-WMZOPIPTSA-N 1 2 346.446 3.576 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000853589370 1136547040 /nfs/dbraw/zinc/54/70/40/1136547040.db2.gz LOFVJDLWIBSZGT-KRWDZBQOSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000853589370 1136547043 /nfs/dbraw/zinc/54/70/43/1136547043.db2.gz LOFVJDLWIBSZGT-KRWDZBQOSA-N 1 2 341.430 3.519 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1cn(C(C)(C)C)nn1 ZINC000853638420 1136551671 /nfs/dbraw/zinc/55/16/71/1136551671.db2.gz ODKQCUIYLUJDSA-UHFFFAOYSA-N 1 2 326.448 3.643 20 0 EHADLO CC(C)OC(=O)Nc1ccc(OCc2ccc[nH+]c2N)c(Cl)c1 ZINC000853731575 1136558994 /nfs/dbraw/zinc/55/89/94/1136558994.db2.gz OPLAPCDABYRGJD-UHFFFAOYSA-N 1 2 335.791 3.853 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000815170516 1136565892 /nfs/dbraw/zinc/56/58/92/1136565892.db2.gz VEXOAFBQPVWDSX-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000815170516 1136565895 /nfs/dbraw/zinc/56/58/95/1136565895.db2.gz VEXOAFBQPVWDSX-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO Cc1ccc(CC2CN(c3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000853863010 1136571038 /nfs/dbraw/zinc/57/10/38/1136571038.db2.gz VLVFXBXLMPLCOW-UHFFFAOYSA-N 1 2 335.455 3.569 20 0 EHADLO CC[C@@H](CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)Oc1ccccc1C ZINC001137050877 1136577754 /nfs/dbraw/zinc/57/77/54/1136577754.db2.gz WDHJGJMCSIYBDZ-ROUUACIJSA-N 1 2 343.471 3.753 20 0 EHADLO c1csc([C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)c2nnc[nH]2)c1 ZINC000815554262 1136609870 /nfs/dbraw/zinc/60/98/70/1136609870.db2.gz VZZXYQVCAVQFRX-IEKYFPHUSA-N 1 2 328.485 3.762 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(C(C)C)n(Cc2ccco2)c1=S ZINC000112200243 1136611852 /nfs/dbraw/zinc/61/18/52/1136611852.db2.gz KSFUJSQOBVOLSW-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(C(C)C)n(Cc2ccco2)c1=S ZINC000112200243 1136611855 /nfs/dbraw/zinc/61/18/55/1136611855.db2.gz KSFUJSQOBVOLSW-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000815644704 1136625794 /nfs/dbraw/zinc/62/57/94/1136625794.db2.gz KDWCDWVRFUMYSW-KBPBESRZSA-N 1 2 326.387 3.942 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001135241132 1136642368 /nfs/dbraw/zinc/64/23/68/1136642368.db2.gz RVSZNWSLQCJZFB-ZIAGYGMSSA-N 1 2 347.409 3.565 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000265973165 1136658329 /nfs/dbraw/zinc/65/83/29/1136658329.db2.gz JMXQKAZIVOSWBH-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000265973165 1136658331 /nfs/dbraw/zinc/65/83/31/1136658331.db2.gz JMXQKAZIVOSWBH-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001135408929 1136679038 /nfs/dbraw/zinc/67/90/38/1136679038.db2.gz LMNCNFHORMJYTG-RBUKOAKNSA-N 1 2 339.483 4.000 20 0 EHADLO Cn1ncc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c1Cl ZINC000816589245 1136734641 /nfs/dbraw/zinc/73/46/41/1136734641.db2.gz PPZSCHZZQTYNOO-UHFFFAOYSA-N 1 2 347.768 3.603 20 0 EHADLO Cn1ncc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c1Cl ZINC000816589245 1136734643 /nfs/dbraw/zinc/73/46/43/1136734643.db2.gz PPZSCHZZQTYNOO-UHFFFAOYSA-N 1 2 347.768 3.603 20 0 EHADLO c1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)[nH+]cc1N1CCCCC1 ZINC000776849222 1136746589 /nfs/dbraw/zinc/74/65/89/1136746589.db2.gz XOLQLPVUKHOOAO-HLLBOEOZSA-N 1 2 335.542 3.863 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1c(Cl)nccc1C(F)(F)F ZINC000776846909 1136746595 /nfs/dbraw/zinc/74/65/95/1136746595.db2.gz AZIRKOJKSDTDRR-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000816636602 1136746874 /nfs/dbraw/zinc/74/68/74/1136746874.db2.gz BYUDFRDPWZJLBW-INIZCTEOSA-N 1 2 347.890 3.929 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000816636602 1136746877 /nfs/dbraw/zinc/74/68/77/1136746877.db2.gz BYUDFRDPWZJLBW-INIZCTEOSA-N 1 2 347.890 3.929 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2sccc2F)C[C@H](C)O1 ZINC000338986600 1136753944 /nfs/dbraw/zinc/75/39/44/1136753944.db2.gz DRXRMGVJPDUDMT-BETUJISGSA-N 1 2 348.443 3.749 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2sccc2F)C[C@H](C)O1 ZINC000338986600 1136753947 /nfs/dbraw/zinc/75/39/47/1136753947.db2.gz DRXRMGVJPDUDMT-BETUJISGSA-N 1 2 348.443 3.749 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000816901966 1136764431 /nfs/dbraw/zinc/76/44/31/1136764431.db2.gz DRBROKIQFKJZPD-MRXNPFEDSA-N 1 2 331.828 3.573 20 0 EHADLO COCc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000816974099 1136768843 /nfs/dbraw/zinc/76/88/43/1136768843.db2.gz REEYNVRNILWFTE-GOSISDBHSA-N 1 2 335.407 3.717 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2CC2(Cl)Cl)c(C)c1 ZINC000010986812 1136784501 /nfs/dbraw/zinc/78/45/01/1136784501.db2.gz BGNCYDPKQJUKCH-CYBMUJFWSA-N 1 2 329.271 3.676 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CC2(Cl)Cl)c(C)c1 ZINC000010986812 1136784503 /nfs/dbraw/zinc/78/45/03/1136784503.db2.gz BGNCYDPKQJUKCH-CYBMUJFWSA-N 1 2 329.271 3.676 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000817289383 1136791643 /nfs/dbraw/zinc/79/16/43/1136791643.db2.gz YASYXEFOESSFOY-QWRGUYRKSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000817289383 1136791645 /nfs/dbraw/zinc/79/16/45/1136791645.db2.gz YASYXEFOESSFOY-QWRGUYRKSA-N 1 2 330.881 3.596 20 0 EHADLO CC(C)C[C@@H](C(=O)N(C)CCOc1ccccc1Cl)n1cc[nH+]c1 ZINC001135887255 1136799462 /nfs/dbraw/zinc/79/94/62/1136799462.db2.gz JCPKFMCIVFJEGA-INIZCTEOSA-N 1 2 349.862 3.661 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001137655320 1136800036 /nfs/dbraw/zinc/80/00/36/1136800036.db2.gz HMWMIQZDHLSALO-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001137655320 1136800039 /nfs/dbraw/zinc/80/00/39/1136800039.db2.gz HMWMIQZDHLSALO-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000856721284 1136802935 /nfs/dbraw/zinc/80/29/35/1136802935.db2.gz HFSCMPAZFVUJMR-GOSISDBHSA-N 1 2 339.476 3.710 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000856721284 1136802938 /nfs/dbraw/zinc/80/29/38/1136802938.db2.gz HFSCMPAZFVUJMR-GOSISDBHSA-N 1 2 339.476 3.710 20 0 EHADLO COc1ccc2oc([C@H](C)NC(=O)c3cccc4[nH+]ccn43)c(C)c2c1 ZINC000776896133 1136805371 /nfs/dbraw/zinc/80/53/71/1136805371.db2.gz LEGIRUAVPLCNAY-ZDUSSCGKSA-N 1 2 349.390 3.889 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815417 1136814841 /nfs/dbraw/zinc/81/48/41/1136814841.db2.gz GJLFFXUZUQDDSC-KUHUBIRLSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)c1cnc(C[N@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815417 1136814844 /nfs/dbraw/zinc/81/48/44/1136814844.db2.gz GJLFFXUZUQDDSC-KUHUBIRLSA-N 1 2 349.475 3.677 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2c1CCCC2 ZINC001135999143 1136836696 /nfs/dbraw/zinc/83/66/96/1136836696.db2.gz AMWQDKIAFQAXRT-UHFFFAOYSA-N 1 2 331.419 3.932 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001170892169 1136867517 /nfs/dbraw/zinc/86/75/17/1136867517.db2.gz QYYRAWNKBFWGFO-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001170892169 1136867520 /nfs/dbraw/zinc/86/75/20/1136867520.db2.gz QYYRAWNKBFWGFO-MRXNPFEDSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001136135236 1136870484 /nfs/dbraw/zinc/87/04/84/1136870484.db2.gz XOULCBJBJSQFOH-UHFFFAOYSA-N 1 2 348.450 3.736 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000818344106 1136872939 /nfs/dbraw/zinc/87/29/39/1136872939.db2.gz JDOKNCBIBHJATB-HNNXBMFYSA-N 1 2 334.851 3.572 20 0 EHADLO CN(Cc1c(Cl)cccc1Cl)C(=O)c1cccc2[nH+]ccn21 ZINC001136183619 1136902440 /nfs/dbraw/zinc/90/24/40/1136902440.db2.gz LRJFCXZEOVUWTC-UHFFFAOYSA-N 1 2 334.206 3.913 20 0 EHADLO Fc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(F)cc1Br ZINC000857871156 1136915777 /nfs/dbraw/zinc/91/57/77/1136915777.db2.gz MUMIZHJJHQXDEC-CYBMUJFWSA-N 1 2 342.187 3.618 20 0 EHADLO Fc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(F)cc1Br ZINC000857871156 1136915779 /nfs/dbraw/zinc/91/57/79/1136915779.db2.gz MUMIZHJJHQXDEC-CYBMUJFWSA-N 1 2 342.187 3.618 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1=O ZINC000857874435 1136916617 /nfs/dbraw/zinc/91/66/17/1136916617.db2.gz RFEFOPRKMKMZFJ-IAGOWNOFSA-N 1 2 342.439 3.666 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCc1c[nH]c3ccccc13)CCN2 ZINC000857994556 1136927926 /nfs/dbraw/zinc/92/79/26/1136927926.db2.gz LMWYADYIJRAFHN-UHFFFAOYSA-N 1 2 334.423 3.653 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1SCCS1 ZINC000819606755 1136953523 /nfs/dbraw/zinc/95/35/23/1136953523.db2.gz RIWYMKQGNSLPDG-UHFFFAOYSA-N 1 2 345.493 3.631 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000858409963 1136965452 /nfs/dbraw/zinc/96/54/52/1136965452.db2.gz RRRBPGFAGJZPOF-BDAKNGLRSA-N 1 2 343.328 3.578 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000858409964 1136965516 /nfs/dbraw/zinc/96/55/16/1136965516.db2.gz RRRBPGFAGJZPOF-DTWKUNHWSA-N 1 2 343.328 3.578 20 0 EHADLO CCC[C@@H](C)CCC[C@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000858467806 1136970382 /nfs/dbraw/zinc/97/03/82/1136970382.db2.gz UKRZPWJBPSUCOP-CVEARBPZSA-N 1 2 331.508 3.828 20 0 EHADLO Cc1coc(-c2cc(NC(=O)c3cccc4[nH+]ccn43)ccc2C)n1 ZINC000777032023 1136975743 /nfs/dbraw/zinc/97/57/43/1136975743.db2.gz HJNWNAQDAWKLAZ-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-c2cn[nH]c2)cc1 ZINC001136329414 1136988172 /nfs/dbraw/zinc/98/81/72/1136988172.db2.gz BCKHYXNNKKTRRL-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1ncc(Br)cn1 ZINC000805748434 1136994195 /nfs/dbraw/zinc/99/41/95/1136994195.db2.gz OFDNBPNMBXZQJS-WDEREUQCSA-N 1 2 348.244 3.586 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820504562 1136996615 /nfs/dbraw/zinc/99/66/15/1136996615.db2.gz ZBKAMKTWFGJVFY-UHFFFAOYSA-N 1 2 341.842 3.888 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000820675835 1137000604 /nfs/dbraw/zinc/00/06/04/1137000604.db2.gz KDWKDJXKOVJALX-BLLLJJGKSA-N 1 2 327.428 3.595 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000820681123 1137000814 /nfs/dbraw/zinc/00/08/14/1137000814.db2.gz KTZSMOALKAORMW-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000820681123 1137000815 /nfs/dbraw/zinc/00/08/15/1137000815.db2.gz KTZSMOALKAORMW-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(Cl)ccc2Br)cc1 ZINC000821220100 1137020842 /nfs/dbraw/zinc/02/08/42/1137020842.db2.gz MEXQSIPGDYDACH-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc(Cl)ccc2Br)c1 ZINC000821220590 1137020854 /nfs/dbraw/zinc/02/08/54/1137020854.db2.gz OICNLPGZJPXFSU-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(Cl)(Cl)Cl ZINC000821628040 1137032873 /nfs/dbraw/zinc/03/28/73/1137032873.db2.gz YBIPUQPJSHRBSP-JTQLQIEISA-N 1 2 347.629 3.847 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3c(Cl)n2)n[nH]1 ZINC000859887995 1137035915 /nfs/dbraw/zinc/03/59/15/1137035915.db2.gz MLMIKKGCNKLUKL-INIZCTEOSA-N 1 2 340.814 3.721 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3c(Cl)n2)n[nH]1 ZINC000859887995 1137035916 /nfs/dbraw/zinc/03/59/16/1137035916.db2.gz MLMIKKGCNKLUKL-INIZCTEOSA-N 1 2 340.814 3.721 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ccc(Cl)nc1Cl)NC(=O)OC(C)(C)C ZINC000860095611 1137044202 /nfs/dbraw/zinc/04/42/02/1137044202.db2.gz HEPPBGLNNGMGGJ-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ccc(Cl)nc1Cl)NC(=O)OC(C)(C)C ZINC000860095611 1137044203 /nfs/dbraw/zinc/04/42/03/1137044203.db2.gz HEPPBGLNNGMGGJ-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO CCC[C@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccn1 ZINC000822701652 1137071095 /nfs/dbraw/zinc/07/10/95/1137071095.db2.gz DJCPBWJAZDPVSL-HNNXBMFYSA-N 1 2 346.500 3.902 20 0 EHADLO Cc1cc(NC(=O)CC(F)(F)C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC001136625641 1137073345 /nfs/dbraw/zinc/07/33/45/1137073345.db2.gz RBBIBDAZNLMQJI-UHFFFAOYSA-N 1 2 333.260 3.707 20 0 EHADLO CSCc1cccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822789977 1137074009 /nfs/dbraw/zinc/07/40/09/1137074009.db2.gz AQNYLECSEPSCPU-KRWDZBQOSA-N 1 2 337.448 3.835 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823316722 1137093749 /nfs/dbraw/zinc/09/37/49/1137093749.db2.gz AFOWUCSSCPRFIU-RCCFBDPRSA-N 1 2 325.456 3.526 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171013215 1137093761 /nfs/dbraw/zinc/09/37/61/1137093761.db2.gz NDPQYXACLVTBTF-QFBILLFUSA-N 1 2 343.854 3.571 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@](O)(c3ccccc3)C2)c(C)[nH+]1 ZINC000861131733 1137094507 /nfs/dbraw/zinc/09/45/07/1137094507.db2.gz GHSVCXOFQCJINE-FQEVSTJZSA-N 1 2 339.439 3.522 20 0 EHADLO CCn1nc(C)c(C[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)n1 ZINC000823413929 1137096627 /nfs/dbraw/zinc/09/66/27/1137096627.db2.gz OVTXUWDSZUBNQC-UHFFFAOYSA-N 1 2 342.487 3.773 20 0 EHADLO CC(C)[C@@H](c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823396764 1137098068 /nfs/dbraw/zinc/09/80/68/1137098068.db2.gz CTQRNOOJXZQEBC-GOEBONIOSA-N 1 2 345.443 3.589 20 0 EHADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823442412 1137099632 /nfs/dbraw/zinc/09/96/32/1137099632.db2.gz PRCUTTHPPUYILT-FQEVSTJZSA-N 1 2 337.398 3.939 20 0 EHADLO COc1ccc(-n2cc(CNc3ccc([NH+](C)C)c(C)c3)cn2)cc1 ZINC000823534257 1137103478 /nfs/dbraw/zinc/10/34/78/1137103478.db2.gz PHUSXNAYHKUANE-UHFFFAOYSA-N 1 2 336.439 3.867 20 0 EHADLO Cn1nc(C2CC2)cc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000823771218 1137113433 /nfs/dbraw/zinc/11/34/33/1137113433.db2.gz WRBYTYNOYJGWGL-HXUWFJFHSA-N 1 2 336.414 3.711 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000861610332 1137114189 /nfs/dbraw/zinc/11/41/89/1137114189.db2.gz KAEIFUNQOWYGGO-DOMZBBRYSA-N 1 2 347.850 3.609 20 0 EHADLO Cc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000861655991 1137117396 /nfs/dbraw/zinc/11/73/96/1137117396.db2.gz RBDBEWLLJWSKCO-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000118766108 1137131242 /nfs/dbraw/zinc/13/12/42/1137131242.db2.gz FCGPMHNLXXOPPN-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO Cn1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c(Br)n1 ZINC000862229484 1137133625 /nfs/dbraw/zinc/13/36/25/1137133625.db2.gz GFVSVMFHLGHZGU-INIZCTEOSA-N 1 2 346.272 3.835 20 0 EHADLO Cn1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c(Br)n1 ZINC000862229484 1137133626 /nfs/dbraw/zinc/13/36/26/1137133626.db2.gz GFVSVMFHLGHZGU-INIZCTEOSA-N 1 2 346.272 3.835 20 0 EHADLO Cc1c(F)nccc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000862237495 1137134257 /nfs/dbraw/zinc/13/42/57/1137134257.db2.gz QRRCVPSNJRMFCV-SFHVURJKSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1c(F)nccc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000862237495 1137134259 /nfs/dbraw/zinc/13/42/59/1137134259.db2.gz QRRCVPSNJRMFCV-SFHVURJKSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1nccnc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000862378415 1137141506 /nfs/dbraw/zinc/14/15/06/1137141506.db2.gz COTWBCMTAZMJSD-MRVPVSSYSA-N 1 2 330.741 3.703 20 0 EHADLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824526923 1137141334 /nfs/dbraw/zinc/14/13/34/1137141334.db2.gz QYFSCHPSTNAWAX-GOSISDBHSA-N 1 2 349.482 3.660 20 0 EHADLO CCOC(=O)C[N@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136943740 1137152891 /nfs/dbraw/zinc/15/28/91/1137152891.db2.gz RYFSVLSVMLAWKX-UHFFFAOYSA-N 1 2 334.419 3.897 20 0 EHADLO CCOC(=O)C[N@@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136943740 1137152893 /nfs/dbraw/zinc/15/28/93/1137152893.db2.gz RYFSVLSVMLAWKX-UHFFFAOYSA-N 1 2 334.419 3.897 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)cc1 ZINC001136941658 1137154418 /nfs/dbraw/zinc/15/44/18/1137154418.db2.gz AHBDNKSCGOYNMO-UHFFFAOYSA-N 1 2 345.393 3.556 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCc3cnc(C4CC4)nc3C2)cc1 ZINC001136941658 1137154419 /nfs/dbraw/zinc/15/44/19/1137154419.db2.gz AHBDNKSCGOYNMO-UHFFFAOYSA-N 1 2 345.393 3.556 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000825103362 1137163666 /nfs/dbraw/zinc/16/36/66/1137163666.db2.gz DCAZGVKNHMEHDA-IBGZPJMESA-N 1 2 343.423 3.998 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000825103362 1137163667 /nfs/dbraw/zinc/16/36/67/1137163667.db2.gz DCAZGVKNHMEHDA-IBGZPJMESA-N 1 2 343.423 3.998 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000862992192 1137166497 /nfs/dbraw/zinc/16/64/97/1137166497.db2.gz JOWJDUJPDRPUPT-MRXNPFEDSA-N 1 2 337.398 3.882 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000339049276 1137166811 /nfs/dbraw/zinc/16/68/11/1137166811.db2.gz LKEZHVLIXJFFPC-MRXNPFEDSA-N 1 2 339.483 3.816 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000339049276 1137166812 /nfs/dbraw/zinc/16/68/12/1137166812.db2.gz LKEZHVLIXJFFPC-MRXNPFEDSA-N 1 2 339.483 3.816 20 0 EHADLO Clc1cncc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001136996369 1137168329 /nfs/dbraw/zinc/16/83/29/1137168329.db2.gz DKIWFBUEMHLVJB-OKILXGFUSA-N 1 2 336.826 3.765 20 0 EHADLO Clc1cncc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001136996369 1137168330 /nfs/dbraw/zinc/16/83/30/1137168330.db2.gz DKIWFBUEMHLVJB-OKILXGFUSA-N 1 2 336.826 3.765 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000863254340 1137177932 /nfs/dbraw/zinc/17/79/32/1137177932.db2.gz DGFSZFYTAMWKKW-IRXDYDNUSA-N 1 2 337.467 3.697 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341765 1137181677 /nfs/dbraw/zinc/18/16/77/1137181677.db2.gz UQTILDMGYDAHRG-HSWBROFVSA-N 1 2 329.473 3.638 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341765 1137181678 /nfs/dbraw/zinc/18/16/78/1137181678.db2.gz UQTILDMGYDAHRG-HSWBROFVSA-N 1 2 329.473 3.638 20 0 EHADLO COc1ccc(F)c(CN2CCN(c3cccc(C)[nH+]3)CC2)c1Cl ZINC001143364757 1137182627 /nfs/dbraw/zinc/18/26/27/1137182627.db2.gz IROHTLWJXRHIFC-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1C(F)(F)F ZINC001143646223 1137186171 /nfs/dbraw/zinc/18/61/71/1137186171.db2.gz JUKVLTVZYXJNAV-LLVKDONJSA-N 1 2 335.366 3.743 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001143761574 1137196234 /nfs/dbraw/zinc/19/62/34/1137196234.db2.gz NCNXZYKUZFVMJK-UHFFFAOYSA-N 1 2 340.414 3.716 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001143761574 1137196236 /nfs/dbraw/zinc/19/62/36/1137196236.db2.gz NCNXZYKUZFVMJK-UHFFFAOYSA-N 1 2 340.414 3.716 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2nccc3occc32)CC1 ZINC001143767791 1137196872 /nfs/dbraw/zinc/19/68/72/1137196872.db2.gz MWBYIXFHZVNIDS-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001143769680 1137197191 /nfs/dbraw/zinc/19/71/91/1137197191.db2.gz RHBRLPGIXFOEFE-UHFFFAOYSA-N 1 2 340.414 3.620 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(Cc3ccc(C(C)C)cc3)no2)c1 ZINC000863659358 1137197221 /nfs/dbraw/zinc/19/72/21/1137197221.db2.gz ACAQPAXHFHJTNW-IBGZPJMESA-N 1 2 337.423 3.841 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C3(c4ccccc4)CCC3)no2)c1 ZINC000863665147 1137197788 /nfs/dbraw/zinc/19/77/88/1137197788.db2.gz FZOAFFWRNVAJQX-QGZVFWFLSA-N 1 2 335.407 3.596 20 0 EHADLO Cc1ccc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c(F)c1 ZINC000863666408 1137198037 /nfs/dbraw/zinc/19/80/37/1137198037.db2.gz XGRPKLWVHQGJMR-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C(C)(C)Cc3ccccc3)no2)c1 ZINC000863671599 1137198409 /nfs/dbraw/zinc/19/84/09/1137198409.db2.gz DLPQYGKBQCMPRE-QGZVFWFLSA-N 1 2 337.423 3.647 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001143892231 1137208748 /nfs/dbraw/zinc/20/87/48/1137208748.db2.gz RYSSVMRTCIPWLD-KBPBESRZSA-N 1 2 345.801 3.900 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001143892231 1137208749 /nfs/dbraw/zinc/20/87/49/1137208749.db2.gz RYSSVMRTCIPWLD-KBPBESRZSA-N 1 2 345.801 3.900 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794582471 1137214588 /nfs/dbraw/zinc/21/45/88/1137214588.db2.gz OBOVKIFIXNODGY-IBGZPJMESA-N 1 2 346.858 3.658 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794582471 1137214589 /nfs/dbraw/zinc/21/45/89/1137214589.db2.gz OBOVKIFIXNODGY-IBGZPJMESA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c(F)c1F ZINC001143917555 1137214914 /nfs/dbraw/zinc/21/49/14/1137214914.db2.gz JRQQYKQKSPHCTQ-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c(F)c1F ZINC001143917555 1137214915 /nfs/dbraw/zinc/21/49/15/1137214915.db2.gz JRQQYKQKSPHCTQ-OAHLLOKOSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cc(NC(=O)/C=C/c2ccnc(Cl)c2)ccc1-n1cc[nH+]c1 ZINC001143940172 1137216724 /nfs/dbraw/zinc/21/67/24/1137216724.db2.gz VNEKTTSZQPMDSI-GORDUTHDSA-N 1 2 338.798 3.881 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1cncc2ccccc21)CC1CC1 ZINC000844408416 1137220384 /nfs/dbraw/zinc/22/03/84/1137220384.db2.gz DATQKIXLJPBDNT-UHFFFAOYSA-N 1 2 326.440 3.789 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1cncc2ccccc21)CC1CC1 ZINC000844408416 1137220386 /nfs/dbraw/zinc/22/03/86/1137220386.db2.gz DATQKIXLJPBDNT-UHFFFAOYSA-N 1 2 326.440 3.789 20 0 EHADLO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C/C(Cl)=C/Cl)CC2)n1 ZINC000844410892 1137220526 /nfs/dbraw/zinc/22/05/26/1137220526.db2.gz OYECQVWFIJTUDE-IJUXCTOESA-N 1 2 330.259 3.767 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001143983964 1137220966 /nfs/dbraw/zinc/22/09/66/1137220966.db2.gz OESXFPADRNILPM-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001143983964 1137220967 /nfs/dbraw/zinc/22/09/67/1137220967.db2.gz OESXFPADRNILPM-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001143982902 1137221060 /nfs/dbraw/zinc/22/10/60/1137221060.db2.gz CSAOUVHJLTYCPA-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001143982902 1137221061 /nfs/dbraw/zinc/22/10/61/1137221061.db2.gz CSAOUVHJLTYCPA-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)N(c1ccccc1)C1CCCCC1 ZINC000844455352 1137221341 /nfs/dbraw/zinc/22/13/41/1137221341.db2.gz XCKQHFYZNIUPRK-CALCHBBNSA-N 1 2 334.410 3.549 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)N(c1ccccc1)C1CCCCC1 ZINC000844455352 1137221342 /nfs/dbraw/zinc/22/13/42/1137221342.db2.gz XCKQHFYZNIUPRK-CALCHBBNSA-N 1 2 334.410 3.549 20 0 EHADLO C[C@@H](CC(=O)O[C@H]1CCc2c1cccc2OCC1CC1)n1cc[nH+]c1 ZINC000844443180 1137224034 /nfs/dbraw/zinc/22/40/34/1137224034.db2.gz JBKOMNLZOKQSTN-LIRRHRJNSA-N 1 2 340.423 3.854 20 0 EHADLO CC(C)OC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(F)c1 ZINC000844478800 1137224902 /nfs/dbraw/zinc/22/49/02/1137224902.db2.gz RQIRDXVDBAJPPN-YOEHRIQHSA-N 1 2 334.391 3.683 20 0 EHADLO C[C@]1(O)CC[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144038036 1137233022 /nfs/dbraw/zinc/23/30/22/1137233022.db2.gz IKNGUEHGFZBVQX-LBPRGKRZSA-N 1 2 328.161 3.969 20 0 EHADLO C[C@]1(O)CC[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144038036 1137233023 /nfs/dbraw/zinc/23/30/23/1137233023.db2.gz IKNGUEHGFZBVQX-LBPRGKRZSA-N 1 2 328.161 3.969 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC001171134202 1137237790 /nfs/dbraw/zinc/23/77/90/1137237790.db2.gz WSMFOWXKELHSHP-OAHLLOKOSA-N 1 2 346.368 3.682 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC001171134202 1137237791 /nfs/dbraw/zinc/23/77/91/1137237791.db2.gz WSMFOWXKELHSHP-OAHLLOKOSA-N 1 2 346.368 3.682 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794705527 1137238542 /nfs/dbraw/zinc/23/85/42/1137238542.db2.gz KDJNEMQKLPJXAL-CYBMUJFWSA-N 1 2 334.489 3.927 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794705527 1137238544 /nfs/dbraw/zinc/23/85/44/1137238544.db2.gz KDJNEMQKLPJXAL-CYBMUJFWSA-N 1 2 334.489 3.927 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000844757292 1137250180 /nfs/dbraw/zinc/25/01/80/1137250180.db2.gz OGMSQOYAKJQTNF-LRDDRELGSA-N 1 2 342.455 3.503 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000844757292 1137250182 /nfs/dbraw/zinc/25/01/82/1137250182.db2.gz OGMSQOYAKJQTNF-LRDDRELGSA-N 1 2 342.455 3.503 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865159352 1137265867 /nfs/dbraw/zinc/26/58/67/1137265867.db2.gz QCQLNJUXATXYNM-LLVKDONJSA-N 1 2 346.843 3.624 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158726 1137265973 /nfs/dbraw/zinc/26/59/73/1137265973.db2.gz MMDBVNPMKFACGP-TZIWHRDSSA-N 1 2 339.483 3.952 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158694 1137266024 /nfs/dbraw/zinc/26/60/24/1137266024.db2.gz MGXKKKBESDFPCH-JTQLQIEISA-N 1 2 345.346 3.565 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1)[NH+]1CCOCC1 ZINC000865174260 1137267119 /nfs/dbraw/zinc/26/71/19/1137267119.db2.gz UJNPIKYREGDLCI-SYNHAJSKSA-N 1 2 328.456 3.599 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000865412916 1137281091 /nfs/dbraw/zinc/28/10/91/1137281091.db2.gz XIIHSEDLUJFGSW-UHFFFAOYSA-N 1 2 337.254 3.673 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144392257 1137281135 /nfs/dbraw/zinc/28/11/35/1137281135.db2.gz TYOPGEZAAQJHDJ-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144392257 1137281137 /nfs/dbraw/zinc/28/11/37/1137281137.db2.gz TYOPGEZAAQJHDJ-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000865472421 1137287003 /nfs/dbraw/zinc/28/70/03/1137287003.db2.gz ASBZOHRRGGSKPL-UHFFFAOYSA-N 1 2 333.354 3.657 20 0 EHADLO CC(C)n1ccc(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)n1 ZINC000865472195 1137287030 /nfs/dbraw/zinc/28/70/30/1137287030.db2.gz ZBZVRVVXHRYHCS-UHFFFAOYSA-N 1 2 331.313 3.792 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3cccnc3Br)ccc21 ZINC000865499574 1137289251 /nfs/dbraw/zinc/28/92/51/1137289251.db2.gz KQRZHEHXQFWEIF-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3cccnc3Br)ccc21 ZINC000865499574 1137289252 /nfs/dbraw/zinc/28/92/52/1137289252.db2.gz KQRZHEHXQFWEIF-UHFFFAOYSA-N 1 2 332.245 3.839 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)c2nccn21 ZINC000865591759 1137297363 /nfs/dbraw/zinc/29/73/63/1137297363.db2.gz KXPPLWNFWFSOJU-BXKDBHETSA-N 1 2 329.297 3.716 20 0 EHADLO CNC(=O)c1ccc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)cc1 ZINC001212614425 1137298321 /nfs/dbraw/zinc/29/83/21/1137298321.db2.gz MVORNVJYGXABQH-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c1 ZINC001144485162 1137298552 /nfs/dbraw/zinc/29/85/52/1137298552.db2.gz XGINSPXKCXXSBG-UHFFFAOYSA-N 1 2 331.847 3.504 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCN(C)c3nc(C)ccc3C2)c1 ZINC001144485162 1137298554 /nfs/dbraw/zinc/29/85/54/1137298554.db2.gz XGINSPXKCXXSBG-UHFFFAOYSA-N 1 2 331.847 3.504 20 0 EHADLO Cc1c[nH+]c(C)c(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000865617742 1137298986 /nfs/dbraw/zinc/29/89/86/1137298986.db2.gz PQIKSXDIEJZZSC-LBPRGKRZSA-N 1 2 329.391 3.659 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)c2ccco2)cc1 ZINC000845596696 1137300808 /nfs/dbraw/zinc/30/08/08/1137300808.db2.gz ZDCFFMAIKVKJQQ-IFXJQAMLSA-N 1 2 340.379 3.769 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(F)c1 ZINC001144554576 1137308896 /nfs/dbraw/zinc/30/88/96/1137308896.db2.gz AVZZLXDBQFDKOS-UHFFFAOYSA-N 1 2 337.341 3.853 20 0 EHADLO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144657987 1137322427 /nfs/dbraw/zinc/32/24/27/1137322427.db2.gz QJAQZRPNMSJLBU-UHFFFAOYSA-N 1 2 345.389 3.793 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1F ZINC001144657905 1137323729 /nfs/dbraw/zinc/32/37/29/1137323729.db2.gz MSONFDCEKHUXDL-UHFFFAOYSA-N 1 2 345.389 3.734 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144666524 1137324672 /nfs/dbraw/zinc/32/46/72/1137324672.db2.gz MDXFWLSWTIIHIX-CQSZACIVSA-N 1 2 349.377 3.722 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144666524 1137324674 /nfs/dbraw/zinc/32/46/74/1137324674.db2.gz MDXFWLSWTIIHIX-CQSZACIVSA-N 1 2 349.377 3.722 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(Cl)oc3ccccc32)C1 ZINC000846018819 1137326450 /nfs/dbraw/zinc/32/64/50/1137326450.db2.gz PTYKNRGLKPKHOL-LBPRGKRZSA-N 1 2 343.814 3.840 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(COc4ccccc43)CC2)cc1F ZINC001144660348 1137327104 /nfs/dbraw/zinc/32/71/04/1137327104.db2.gz ZRHWVJRGEYULEU-UHFFFAOYSA-N 1 2 331.362 3.597 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc1F ZINC001144658505 1137327272 /nfs/dbraw/zinc/32/72/72/1137327272.db2.gz ZHACOTYKZYRFLL-UHFFFAOYSA-N 1 2 343.377 3.857 20 0 EHADLO COCc1cc[nH+]c(NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000846118242 1137334176 /nfs/dbraw/zinc/33/41/76/1137334176.db2.gz WBCYZQQZNQLZHB-CABCVRRESA-N 1 2 349.475 3.676 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000866243824 1137338668 /nfs/dbraw/zinc/33/86/68/1137338668.db2.gz UNDQVXOVZDMKEU-HGQUKEQDSA-N 1 2 331.387 3.826 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2nnc[nH]2)cc1 ZINC000846216189 1137341987 /nfs/dbraw/zinc/34/19/87/1137341987.db2.gz QVNANIGIIQGUSG-YPMHNXCESA-N 1 2 343.233 3.597 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC000846298334 1137346044 /nfs/dbraw/zinc/34/60/44/1137346044.db2.gz FFQXXAPNUUPRSO-KRWDZBQOSA-N 1 2 325.456 3.752 20 0 EHADLO COc1ccc2cc(NCCC3CCC4(CC3)OCCO4)[nH+]cc2c1 ZINC001171221149 1137346881 /nfs/dbraw/zinc/34/68/81/1137346881.db2.gz XTBIDECZCXEQJJ-UHFFFAOYSA-N 1 2 342.439 3.979 20 0 EHADLO c1cc2cccc3c2c(c1)CC[C@H]3[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000866384943 1137350879 /nfs/dbraw/zinc/35/08/79/1137350879.db2.gz PQJTZSSBGJHNPK-SJORKVTESA-N 1 2 334.423 3.587 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H](F)c1ccccc1 ZINC000846656601 1137360601 /nfs/dbraw/zinc/36/06/01/1137360601.db2.gz WPCIVJWATBFGGA-JFIYKMOQSA-N 1 2 327.403 3.632 20 0 EHADLO Clc1ccc2nc(Cl)c(C[N@@H+]3CCc4c[nH]nc4C3)cc2c1 ZINC000846833823 1137370618 /nfs/dbraw/zinc/37/06/18/1137370618.db2.gz UCGMKMYOFIQARK-UHFFFAOYSA-N 1 2 333.222 3.823 20 0 EHADLO Clc1ccc2nc(Cl)c(C[N@H+]3CCc4c[nH]nc4C3)cc2c1 ZINC000846833823 1137370620 /nfs/dbraw/zinc/37/06/20/1137370620.db2.gz UCGMKMYOFIQARK-UHFFFAOYSA-N 1 2 333.222 3.823 20 0 EHADLO CC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000846940651 1137376515 /nfs/dbraw/zinc/37/65/15/1137376515.db2.gz QBLBHLCWAVWCEQ-UHFFFAOYSA-N 1 2 330.653 3.904 20 0 EHADLO c1ccc2[nH]c([C@H]3CCCC[N@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846967421 1137379641 /nfs/dbraw/zinc/37/96/41/1137379641.db2.gz CQYVLLWUJTUQHD-GOSISDBHSA-N 1 2 333.395 3.826 20 0 EHADLO c1ccc2[nH]c([C@H]3CCCC[N@@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846967421 1137379643 /nfs/dbraw/zinc/37/96/43/1137379643.db2.gz CQYVLLWUJTUQHD-GOSISDBHSA-N 1 2 333.395 3.826 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/CCc1ccccc1 ZINC000867802168 1137386699 /nfs/dbraw/zinc/38/66/99/1137386699.db2.gz LGTYMCVBILIKOT-RIYZIHGNSA-N 1 2 339.483 3.873 20 0 EHADLO Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001146499493 1137390773 /nfs/dbraw/zinc/39/07/73/1137390773.db2.gz TVSAIDPGMKBTRU-SECBINFHSA-N 1 2 342.624 3.807 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001147198814 1137401909 /nfs/dbraw/zinc/40/19/09/1137401909.db2.gz JGVAANOSSXWEAJ-UHFFFAOYSA-N 1 2 341.798 3.823 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2ccnc(Cl)c2s1 ZINC001147837315 1137413469 /nfs/dbraw/zinc/41/34/69/1137413469.db2.gz DUAWSJBOLMYCAR-UHFFFAOYSA-N 1 2 346.843 3.577 20 0 EHADLO COc1cccc2c1C[C@@H](Nc1cccc(-c3c[nH+]cn3C)c1)CO2 ZINC001171317746 1137415822 /nfs/dbraw/zinc/41/58/22/1137415822.db2.gz ZDAGLGFVDPOIDS-MRXNPFEDSA-N 1 2 335.407 3.511 20 0 EHADLO CC[C@H]1C[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001171319053 1137416851 /nfs/dbraw/zinc/41/68/51/1137416851.db2.gz FZCKKTTXOLXFRB-XEZPLFJOSA-N 1 2 332.271 3.916 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1Cc3nc(C)sc3C1)CC2 ZINC001171327605 1137420916 /nfs/dbraw/zinc/42/09/16/1137420916.db2.gz YYNKKIRINDBEMF-LLVKDONJSA-N 1 2 334.872 3.987 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1Cc3nc(C)sc3C1)CC2 ZINC001171327605 1137420917 /nfs/dbraw/zinc/42/09/17/1137420917.db2.gz YYNKKIRINDBEMF-LLVKDONJSA-N 1 2 334.872 3.987 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001148382266 1137423870 /nfs/dbraw/zinc/42/38/70/1137423870.db2.gz OZZHASGOIBDRJL-UHFFFAOYSA-N 1 2 337.379 3.542 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1Cc1ccccc1 ZINC000045031735 1137427396 /nfs/dbraw/zinc/42/73/96/1137427396.db2.gz NVYGATHITIRZKA-OAHLLOKOSA-N 1 2 335.407 3.682 20 0 EHADLO O=C(NCCCCC1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000869056287 1137435057 /nfs/dbraw/zinc/43/50/57/1137435057.db2.gz ULMKYUKMHZHNEC-UHFFFAOYSA-N 1 2 332.492 3.665 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869103580 1137436850 /nfs/dbraw/zinc/43/68/50/1137436850.db2.gz OVTPXWONNJEJHQ-OAHLLOKOSA-N 1 2 349.887 3.730 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869103580 1137436852 /nfs/dbraw/zinc/43/68/52/1137436852.db2.gz OVTPXWONNJEJHQ-OAHLLOKOSA-N 1 2 349.887 3.730 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)n1 ZINC000348113397 1137441774 /nfs/dbraw/zinc/44/17/74/1137441774.db2.gz SBWUUXDBZSUHQF-NSHDSACASA-N 1 2 346.481 3.659 20 0 EHADLO O=C(Nc1ccsc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282824020 1137453376 /nfs/dbraw/zinc/45/33/76/1137453376.db2.gz UISYMFFLWXARSK-ZDUSSCGKSA-N 1 2 330.457 3.692 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3sccc3F)n2)C1 ZINC000339096621 1137473684 /nfs/dbraw/zinc/47/36/84/1137473684.db2.gz SYACBPLWUBYVEW-JTQLQIEISA-N 1 2 339.461 3.828 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3sccc3F)n2)C1 ZINC000339096621 1137473685 /nfs/dbraw/zinc/47/36/85/1137473685.db2.gz SYACBPLWUBYVEW-JTQLQIEISA-N 1 2 339.461 3.828 20 0 EHADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(Br)s1)CCC2 ZINC000714949211 1137475099 /nfs/dbraw/zinc/47/50/99/1137475099.db2.gz CNIVLIOSXTWFPV-LBPRGKRZSA-N 1 2 339.258 3.778 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2n1 ZINC000870125501 1137478203 /nfs/dbraw/zinc/47/82/03/1137478203.db2.gz JKPHTDXDXXYCSD-MRXNPFEDSA-N 1 2 349.434 3.655 20 0 EHADLO Cc1ccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018144788 1137486143 /nfs/dbraw/zinc/48/61/43/1137486143.db2.gz DOBRERVRDCSEPP-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO Cc1nc2cccc(Cl)c2cc1C(=O)OCCCc1[nH+]ccn1C ZINC000870304503 1137486792 /nfs/dbraw/zinc/48/67/92/1137486792.db2.gz UHKDGPIQXHSJLJ-UHFFFAOYSA-N 1 2 343.814 3.720 20 0 EHADLO C[C@@H](C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21)[NH+]1CCSCC1 ZINC001171498173 1137492150 /nfs/dbraw/zinc/49/21/50/1137492150.db2.gz HQOOEJVRPQMRPZ-RDJZCZTQSA-N 1 2 346.540 3.675 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000339103926 1137496835 /nfs/dbraw/zinc/49/68/35/1137496835.db2.gz MEWWJARUWDJJOC-CQSZACIVSA-N 1 2 336.505 3.783 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171997573 1137522818 /nfs/dbraw/zinc/52/28/18/1137522818.db2.gz DEBHSAFJPNDPSW-UHFFFAOYSA-N 1 2 333.220 3.615 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171997573 1137522820 /nfs/dbraw/zinc/52/28/20/1137522820.db2.gz DEBHSAFJPNDPSW-UHFFFAOYSA-N 1 2 333.220 3.615 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001171974397 1137524599 /nfs/dbraw/zinc/52/45/99/1137524599.db2.gz TYLNBASEYOWHRK-GWCFXTLKSA-N 1 2 341.295 3.900 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001171974397 1137524600 /nfs/dbraw/zinc/52/46/00/1137524600.db2.gz TYLNBASEYOWHRK-GWCFXTLKSA-N 1 2 341.295 3.900 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@](F)(c4ccccc4)C3)ccn12 ZINC000871369990 1137539823 /nfs/dbraw/zinc/53/98/23/1137539823.db2.gz LSLPZIBVKUIHCL-HXUWFJFHSA-N 1 2 337.398 3.744 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)CCO[C@@H](C)CC ZINC001172355467 1137554246 /nfs/dbraw/zinc/55/42/46/1137554246.db2.gz VJBVSVVHSDNXKM-GJZGRUSLSA-N 1 2 327.490 3.707 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)CCO[C@@H](C)CC ZINC001172355467 1137554247 /nfs/dbraw/zinc/55/42/47/1137554247.db2.gz VJBVSVVHSDNXKM-GJZGRUSLSA-N 1 2 327.490 3.707 20 0 EHADLO Cc1cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)o1 ZINC000123762110 1137557553 /nfs/dbraw/zinc/55/75/53/1137557553.db2.gz HDMRLWNSJZPZAH-MOPGFXCFSA-N 1 2 348.874 3.711 20 0 EHADLO Cc1cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)o1 ZINC000123762110 1137557554 /nfs/dbraw/zinc/55/75/54/1137557554.db2.gz HDMRLWNSJZPZAH-MOPGFXCFSA-N 1 2 348.874 3.711 20 0 EHADLO FC(F)c1ccsc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000871839532 1137559914 /nfs/dbraw/zinc/55/99/14/1137559914.db2.gz PAPQMLWMWMEQCU-MWLCHTKSSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1ccsc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000871839532 1137559915 /nfs/dbraw/zinc/55/99/15/1137559915.db2.gz PAPQMLWMWMEQCU-MWLCHTKSSA-N 1 2 341.383 3.662 20 0 EHADLO CC(C)(C)c1cn(C[C@@H](O)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000871990159 1137564185 /nfs/dbraw/zinc/56/41/85/1137564185.db2.gz XRFWDAKFIDCSDB-CYBMUJFWSA-N 1 2 341.224 3.816 20 0 EHADLO Cc1cc([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1N1CCOCC1 ZINC000872061623 1137568988 /nfs/dbraw/zinc/56/89/88/1137568988.db2.gz ZZJLZEVUDDSMMQ-MJGOQNOKSA-N 1 2 332.488 3.837 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000872114739 1137572001 /nfs/dbraw/zinc/57/20/01/1137572001.db2.gz BKZAGKAKIUYECZ-SECBINFHSA-N 1 2 335.860 3.877 20 0 EHADLO [NH3+][C@H](c1nc([C@@H]2CCCS2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872174687 1137575316 /nfs/dbraw/zinc/57/53/16/1137575316.db2.gz FJTOQVPSUGVOCR-QWRGUYRKSA-N 1 2 329.347 3.705 20 0 EHADLO Clc1cccc(-c2cc(N3CCC(n4cc[nH+]c4)CC3)ncn2)c1 ZINC000872432692 1137580080 /nfs/dbraw/zinc/58/00/80/1137580080.db2.gz BYVAFAGHFSZWRJ-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)on1 ZINC000872561593 1137581533 /nfs/dbraw/zinc/58/15/33/1137581533.db2.gz WHHAMRHYPAIDGD-KRWDZBQOSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)on1 ZINC000872561593 1137581534 /nfs/dbraw/zinc/58/15/34/1137581534.db2.gz WHHAMRHYPAIDGD-KRWDZBQOSA-N 1 2 326.375 3.780 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cn2ccc(C(F)(F)F)n2)c1 ZINC000124374824 1137589399 /nfs/dbraw/zinc/58/93/99/1137589399.db2.gz LETRJYGGGONYNQ-UHFFFAOYSA-N 1 2 327.350 3.779 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cn2ccc(C(F)(F)F)n2)c1 ZINC000124374824 1137589400 /nfs/dbraw/zinc/58/94/00/1137589400.db2.gz LETRJYGGGONYNQ-UHFFFAOYSA-N 1 2 327.350 3.779 20 0 EHADLO CCCn1nc(C)c(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1C ZINC000873174816 1137592398 /nfs/dbraw/zinc/59/23/98/1137592398.db2.gz POEVDVMPCOWTPT-UHFFFAOYSA-N 1 2 330.476 3.703 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000873187260 1137593196 /nfs/dbraw/zinc/59/31/96/1137593196.db2.gz PELXMKJKGSSAKS-AWEZNQCLSA-N 1 2 341.846 3.534 20 0 EHADLO CCc1ccc(N(CC)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873982012 1137608759 /nfs/dbraw/zinc/60/87/59/1137608759.db2.gz VEMKRZWMYMYFTC-HNNXBMFYSA-N 1 2 339.361 3.992 20 0 EHADLO CC(C)n1cc(C[N@H+](C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001137081626 1137620239 /nfs/dbraw/zinc/62/02/39/1137620239.db2.gz OATZEXIOTWHAJK-RXVVDRJESA-N 1 2 340.515 3.806 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001137081626 1137620240 /nfs/dbraw/zinc/62/02/40/1137620240.db2.gz OATZEXIOTWHAJK-RXVVDRJESA-N 1 2 340.515 3.806 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000876083162 1137643813 /nfs/dbraw/zinc/64/38/13/1137643813.db2.gz ZVODNTVSNCLKPA-ZDUSSCGKSA-N 1 2 346.397 3.598 20 0 EHADLO CCOP(=O)(CCCNc1cccc(-n2cc[nH+]c2)c1)OCC ZINC000876518460 1137654574 /nfs/dbraw/zinc/65/45/74/1137654574.db2.gz GLNDFJJYQIPQHI-UHFFFAOYSA-N 1 2 337.360 3.940 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876655152 1137658312 /nfs/dbraw/zinc/65/83/12/1137658312.db2.gz FBXAEXMAZPEMMZ-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876655152 1137658313 /nfs/dbraw/zinc/65/83/13/1137658313.db2.gz FBXAEXMAZPEMMZ-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+]C[C@@H]3CC3(Cl)Cl)cc2)C[C@@H](C)O1 ZINC000876854941 1137663787 /nfs/dbraw/zinc/66/37/87/1137663787.db2.gz VXTDLLOBIUDIFB-UPJWGTAASA-N 1 2 329.271 3.906 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1ncc(C)c(OC)c1C ZINC000876987174 1137667078 /nfs/dbraw/zinc/66/70/78/1137667078.db2.gz RDXAFJVJJHECQF-UHFFFAOYSA-N 1 2 329.444 3.571 20 0 EHADLO Clc1csc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)n1 ZINC000877025370 1137668008 /nfs/dbraw/zinc/66/80/08/1137668008.db2.gz JCOZTHHZVRBRIG-UHFFFAOYSA-N 1 2 336.892 3.862 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000825991964 1137684419 /nfs/dbraw/zinc/68/44/19/1137684419.db2.gz PMQCBIDBRWHKJZ-HNNXBMFYSA-N 1 2 330.453 3.644 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000825991964 1137684420 /nfs/dbraw/zinc/68/44/20/1137684420.db2.gz PMQCBIDBRWHKJZ-HNNXBMFYSA-N 1 2 330.453 3.644 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000825991965 1137684459 /nfs/dbraw/zinc/68/44/59/1137684459.db2.gz PMQCBIDBRWHKJZ-OAHLLOKOSA-N 1 2 330.453 3.644 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000825991965 1137684460 /nfs/dbraw/zinc/68/44/60/1137684460.db2.gz PMQCBIDBRWHKJZ-OAHLLOKOSA-N 1 2 330.453 3.644 20 0 EHADLO Clc1ccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cn1 ZINC000877735724 1137687167 /nfs/dbraw/zinc/68/71/67/1137687167.db2.gz DZKKYKMBKXIZNC-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)nn1C ZINC000877784456 1137689989 /nfs/dbraw/zinc/68/99/89/1137689989.db2.gz QXPSQEPYZOYAKI-CYBMUJFWSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)nn1C ZINC000877784456 1137689990 /nfs/dbraw/zinc/68/99/90/1137689990.db2.gz QXPSQEPYZOYAKI-CYBMUJFWSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)nn1C ZINC000877784456 1137689991 /nfs/dbraw/zinc/68/99/91/1137689991.db2.gz QXPSQEPYZOYAKI-CYBMUJFWSA-N 1 2 335.883 3.608 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)nn1C ZINC000877784456 1137689992 /nfs/dbraw/zinc/68/99/92/1137689992.db2.gz QXPSQEPYZOYAKI-CYBMUJFWSA-N 1 2 335.883 3.608 20 0 EHADLO CCn1nc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c2ccccc21 ZINC000877822246 1137691735 /nfs/dbraw/zinc/69/17/35/1137691735.db2.gz FQBPSFTVVWHXBP-BLLLJJGKSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1nc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c2ccccc21 ZINC000877822246 1137691736 /nfs/dbraw/zinc/69/17/36/1137691736.db2.gz FQBPSFTVVWHXBP-BLLLJJGKSA-N 1 2 341.377 3.598 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877823057 1137692010 /nfs/dbraw/zinc/69/20/10/1137692010.db2.gz JQPKWOWPAMUVIQ-IUODEOHRSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877823057 1137692011 /nfs/dbraw/zinc/69/20/11/1137692011.db2.gz JQPKWOWPAMUVIQ-IUODEOHRSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CC[C@@H](C(F)(F)F)O1 ZINC000877824810 1137692275 /nfs/dbraw/zinc/69/22/75/1137692275.db2.gz UWJBBYCCCLYYPH-GWCFXTLKSA-N 1 2 334.407 3.564 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@@H](C(F)(F)F)O1 ZINC000877824810 1137692276 /nfs/dbraw/zinc/69/22/76/1137692276.db2.gz UWJBBYCCCLYYPH-GWCFXTLKSA-N 1 2 334.407 3.564 20 0 EHADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878084930 1137701722 /nfs/dbraw/zinc/70/17/22/1137701722.db2.gz COGFIHBUGCCVEH-UHFFFAOYSA-N 1 2 345.896 3.628 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000878153436 1137704729 /nfs/dbraw/zinc/70/47/29/1137704729.db2.gz LFMFJYNKAGBWTB-UHFFFAOYSA-N 1 2 335.398 3.536 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000878177899 1137706012 /nfs/dbraw/zinc/70/60/12/1137706012.db2.gz DYZRDCVVZFYSAW-UHFFFAOYSA-N 1 2 344.377 3.731 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000878177899 1137706013 /nfs/dbraw/zinc/70/60/13/1137706013.db2.gz DYZRDCVVZFYSAW-UHFFFAOYSA-N 1 2 344.377 3.731 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)C(C)C ZINC000878247696 1137708572 /nfs/dbraw/zinc/70/85/72/1137708572.db2.gz FLDPODRKDQMJRM-KRWDZBQOSA-N 1 2 338.411 3.633 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000878345707 1137711731 /nfs/dbraw/zinc/71/17/31/1137711731.db2.gz AJTLLZQEWXQCBR-ZDUSSCGKSA-N 1 2 342.468 3.711 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1OC ZINC000878353812 1137712243 /nfs/dbraw/zinc/71/22/43/1137712243.db2.gz SRCMIYKNQSZIEI-MRXNPFEDSA-N 1 2 339.395 3.692 20 0 EHADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC000878372120 1137713278 /nfs/dbraw/zinc/71/32/78/1137713278.db2.gz BUEWAYDBTBKJED-INIZCTEOSA-N 1 2 328.412 3.582 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3c3cncc(C)c3)ccc2[nH+]1 ZINC000878564470 1137720507 /nfs/dbraw/zinc/72/05/07/1137720507.db2.gz APQDGRKWBVPOIZ-QGZVFWFLSA-N 1 2 335.411 3.715 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000878602888 1137721860 /nfs/dbraw/zinc/72/18/60/1137721860.db2.gz JZXFFIVODPKKJY-CQSZACIVSA-N 1 2 330.428 3.812 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615280 1137722505 /nfs/dbraw/zinc/72/25/05/1137722505.db2.gz WQQRPKGJAWSSON-KBPBESRZSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615280 1137722506 /nfs/dbraw/zinc/72/25/06/1137722506.db2.gz WQQRPKGJAWSSON-KBPBESRZSA-N 1 2 342.226 3.555 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3nc4c(o3)CCCC4)CC2)c1F ZINC000878661616 1137724139 /nfs/dbraw/zinc/72/41/39/1137724139.db2.gz FMOXKQKYRDURMO-UHFFFAOYSA-N 1 2 347.409 3.544 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3nc4c(o3)CCCC4)CC2)c1F ZINC000878661616 1137724140 /nfs/dbraw/zinc/72/41/40/1137724140.db2.gz FMOXKQKYRDURMO-UHFFFAOYSA-N 1 2 347.409 3.544 20 0 EHADLO CS[C@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878666312 1137724276 /nfs/dbraw/zinc/72/42/76/1137724276.db2.gz RVXYQZZYSDUENE-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO CS[C@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878666312 1137724277 /nfs/dbraw/zinc/72/42/77/1137724277.db2.gz RVXYQZZYSDUENE-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1noc2c1CC(C)(C)CC2 ZINC000878697378 1137725488 /nfs/dbraw/zinc/72/54/88/1137725488.db2.gz IMUQRNGQMBKJTD-UHFFFAOYSA-N 1 2 330.476 3.581 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1noc2c1CC(C)(C)CC2 ZINC000878697378 1137725489 /nfs/dbraw/zinc/72/54/89/1137725489.db2.gz IMUQRNGQMBKJTD-UHFFFAOYSA-N 1 2 330.476 3.581 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)[C@@H]2CCC[C@@H]21 ZINC000879055627 1137736492 /nfs/dbraw/zinc/73/64/92/1137736492.db2.gz JGRQZOBZVFMNQP-UEKVPHQBSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)[C@@H]2CCC[C@@H]21 ZINC000879055627 1137736493 /nfs/dbraw/zinc/73/64/93/1137736493.db2.gz JGRQZOBZVFMNQP-UEKVPHQBSA-N 1 2 343.254 3.552 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000879152329 1137739541 /nfs/dbraw/zinc/73/95/41/1137739541.db2.gz NOYPUJJPZKVCDZ-CHWSQXEVSA-N 1 2 331.382 3.661 20 0 EHADLO C[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)C1 ZINC000879157378 1137739738 /nfs/dbraw/zinc/73/97/38/1137739738.db2.gz IBSGQQPFZGRWNQ-LBPRGKRZSA-N 1 2 349.862 3.564 20 0 EHADLO O[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244980 1137742229 /nfs/dbraw/zinc/74/22/29/1137742229.db2.gz VBRVQMFLICAPQA-DOMZBBRYSA-N 1 2 342.386 3.860 20 0 EHADLO O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244980 1137742230 /nfs/dbraw/zinc/74/22/30/1137742230.db2.gz VBRVQMFLICAPQA-DOMZBBRYSA-N 1 2 342.386 3.860 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@@H](C)c2cnc(C)s2)co1 ZINC000879251695 1137742627 /nfs/dbraw/zinc/74/26/27/1137742627.db2.gz AUGSIDVRBRKIEW-NSHDSACASA-N 1 2 329.425 3.966 20 0 EHADLO CC[C@@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(OC)c1OC ZINC000879464620 1137748468 /nfs/dbraw/zinc/74/84/68/1137748468.db2.gz PDEJSHKGKYTOSB-OAHLLOKOSA-N 1 2 330.428 3.812 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000879738081 1137757236 /nfs/dbraw/zinc/75/72/36/1137757236.db2.gz NCYFYFLKQVKAAN-OALUTQOASA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000879738081 1137757237 /nfs/dbraw/zinc/75/72/37/1137757237.db2.gz NCYFYFLKQVKAAN-OALUTQOASA-N 1 2 331.456 3.560 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccc(Br)n2)c1 ZINC000879752249 1137758004 /nfs/dbraw/zinc/75/80/04/1137758004.db2.gz QTAUNUMWNTXYEM-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc(Br)n2)c1 ZINC000879752249 1137758005 /nfs/dbraw/zinc/75/80/05/1137758005.db2.gz QTAUNUMWNTXYEM-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO CC1(C)CO[C@H](CCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000879976909 1137763686 /nfs/dbraw/zinc/76/36/86/1137763686.db2.gz SYICPGWPICZZNL-BRWVUGGUSA-N 1 2 345.487 3.516 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001390 1137764363 /nfs/dbraw/zinc/76/43/63/1137764363.db2.gz ULCCFSJLXAKXCB-LKFCYVNXSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001390 1137764364 /nfs/dbraw/zinc/76/43/64/1137764364.db2.gz ULCCFSJLXAKXCB-LKFCYVNXSA-N 1 2 336.304 3.566 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000880153214 1137769494 /nfs/dbraw/zinc/76/94/94/1137769494.db2.gz JODVVYOXIXBATH-KBPBESRZSA-N 1 2 329.831 3.578 20 0 EHADLO FC[C@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000880301653 1137773997 /nfs/dbraw/zinc/77/39/97/1137773997.db2.gz WINXNBJLBBLODA-SECBINFHSA-N 1 2 330.190 3.835 20 0 EHADLO FC[C@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000880301653 1137773998 /nfs/dbraw/zinc/77/39/98/1137773998.db2.gz WINXNBJLBBLODA-SECBINFHSA-N 1 2 330.190 3.835 20 0 EHADLO Cc1c(Br)cccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880366405 1137776434 /nfs/dbraw/zinc/77/64/34/1137776434.db2.gz JGCGHSCADQSAIQ-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)ccn12 ZINC000888826691 1137782384 /nfs/dbraw/zinc/78/23/84/1137782384.db2.gz GLWNVKGNWWKRQR-LBPRGKRZSA-N 1 2 327.350 3.692 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(CC(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626134097 1137785293 /nfs/dbraw/zinc/78/52/93/1137785293.db2.gz AQIDQSWZXKJKAL-YJBOKZPZSA-N 1 2 343.471 3.793 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(CC(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626134097 1137785294 /nfs/dbraw/zinc/78/52/94/1137785294.db2.gz AQIDQSWZXKJKAL-YJBOKZPZSA-N 1 2 343.471 3.793 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1SC(F)F ZINC000881068397 1137799614 /nfs/dbraw/zinc/79/96/14/1137799614.db2.gz VJXZMQPBWGAPON-UHFFFAOYSA-N 1 2 346.362 3.834 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656990 1137812792 /nfs/dbraw/zinc/81/27/92/1137812792.db2.gz ITRNRMIHXYXOTA-SWLSCSKDSA-N 1 2 347.409 3.661 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656990 1137812793 /nfs/dbraw/zinc/81/27/93/1137812793.db2.gz ITRNRMIHXYXOTA-SWLSCSKDSA-N 1 2 347.409 3.661 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000881657353 1137812820 /nfs/dbraw/zinc/81/28/20/1137812820.db2.gz MECVQMUVAXTQBV-HIFRSBDPSA-N 1 2 347.409 3.907 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2(C)C)cc1 ZINC000881658709 1137813026 /nfs/dbraw/zinc/81/30/26/1137813026.db2.gz HSBMJXUZJXYUSK-ROUUACIJSA-N 1 2 337.467 3.549 20 0 EHADLO C[C@@H](CC(=O)N[C@H](c1cccc(Cl)c1)C(F)F)n1cc[nH+]c1 ZINC000882728456 1137832698 /nfs/dbraw/zinc/83/26/98/1137832698.db2.gz YMBOGHQEIQZYDB-IINYFYTJSA-N 1 2 327.762 3.610 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871502 1137836189 /nfs/dbraw/zinc/83/61/89/1137836189.db2.gz IINUBQDUXKNYMD-CZGNIMDHSA-N 1 2 345.446 3.790 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871867 1137836233 /nfs/dbraw/zinc/83/62/33/1137836233.db2.gz PYGMSNBKLCROQT-HIFRSBDPSA-N 1 2 339.361 3.719 20 0 EHADLO CC(C)c1ncc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000882872930 1137836308 /nfs/dbraw/zinc/83/63/08/1137836308.db2.gz OPLRNVSCPGOULO-HNNXBMFYSA-N 1 2 340.452 3.634 20 0 EHADLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000130673746 1137840611 /nfs/dbraw/zinc/84/06/11/1137840611.db2.gz YVRDVBNEHNEDPT-OAHLLOKOSA-N 1 2 345.516 3.871 20 0 EHADLO CC(C)CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000130673746 1137840612 /nfs/dbraw/zinc/84/06/12/1137840612.db2.gz YVRDVBNEHNEDPT-OAHLLOKOSA-N 1 2 345.516 3.871 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2csc(Br)c2)c1 ZINC000106933710 1137884984 /nfs/dbraw/zinc/88/49/84/1137884984.db2.gz FYGPDKJIBDKHPY-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2csc(Br)c2)c1 ZINC000106933710 1137884985 /nfs/dbraw/zinc/88/49/85/1137884985.db2.gz FYGPDKJIBDKHPY-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C2(C)C)cc1 ZINC000883035755 1137842300 /nfs/dbraw/zinc/84/23/00/1137842300.db2.gz NZDXBTYXXOBAHU-GOSISDBHSA-N 1 2 340.471 3.559 20 0 EHADLO CO[C@H]1C[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000883273188 1137851797 /nfs/dbraw/zinc/85/17/97/1137851797.db2.gz FXTKYJXAAANIOF-OASPWFOLSA-N 1 2 334.204 3.770 20 0 EHADLO Fc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1C(F)(F)F ZINC000883307254 1137853715 /nfs/dbraw/zinc/85/37/15/1137853715.db2.gz PTXBFYMUWZVTAL-UHFFFAOYSA-N 1 2 325.309 3.804 20 0 EHADLO CC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(OC)c(OC)c1 ZINC000883313458 1137854194 /nfs/dbraw/zinc/85/41/94/1137854194.db2.gz DLGCBZOEMJVMAH-OAHLLOKOSA-N 1 2 327.428 3.614 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000027352493 1137854565 /nfs/dbraw/zinc/85/45/65/1137854565.db2.gz PEYBQHOAVFRSOX-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000027352493 1137854566 /nfs/dbraw/zinc/85/45/66/1137854566.db2.gz PEYBQHOAVFRSOX-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)no1 ZINC000883385719 1137858751 /nfs/dbraw/zinc/85/87/51/1137858751.db2.gz RJYPMRWWHSHLRJ-PBHICJAKSA-N 1 2 328.412 3.707 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000883534790 1137862918 /nfs/dbraw/zinc/86/29/18/1137862918.db2.gz VUEZWLWYFLABNZ-JKSUJKDBSA-N 1 2 348.397 3.502 20 0 EHADLO CN(C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1)c1ccccc1 ZINC000626177498 1137867580 /nfs/dbraw/zinc/86/75/80/1137867580.db2.gz PERAGGZFFAWICY-UHFFFAOYSA-N 1 2 330.378 3.597 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348245485 1137875194 /nfs/dbraw/zinc/87/51/94/1137875194.db2.gz KAGQBZOTJVOKJT-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348245485 1137875195 /nfs/dbraw/zinc/87/51/95/1137875195.db2.gz KAGQBZOTJVOKJT-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)c(F)cc1F ZINC000105045066 1137879955 /nfs/dbraw/zinc/87/99/55/1137879955.db2.gz QYMBLVLFBMDEBA-UHFFFAOYSA-N 1 2 338.333 3.513 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1ccccn1 ZINC000348252436 1137880992 /nfs/dbraw/zinc/88/09/92/1137880992.db2.gz BKDCJZDBBBKAAP-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1ccccn1 ZINC000348252436 1137880993 /nfs/dbraw/zinc/88/09/93/1137880993.db2.gz BKDCJZDBBBKAAP-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO Cc1nc(C2([NH2+]CCCCn3ccnc3C)CCCCCC2)no1 ZINC000348258586 1137885940 /nfs/dbraw/zinc/88/59/40/1137885940.db2.gz XANQVCYMOZPMKL-UHFFFAOYSA-N 1 2 331.464 3.502 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1coc2cc(F)ccc12 ZINC000348264022 1137886646 /nfs/dbraw/zinc/88/66/46/1137886646.db2.gz ZTJMLVNHQYPRBG-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3ncnn3C(C)(C)C)c(C)c2c1 ZINC000282868156 1137890866 /nfs/dbraw/zinc/89/08/66/1137890866.db2.gz VAORYITVQQOBDZ-CYBMUJFWSA-N 1 2 342.443 3.947 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000348277386 1137892237 /nfs/dbraw/zinc/89/22/37/1137892237.db2.gz LFFXXBUDOUAZFM-OCCSQVGLSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000348277386 1137892238 /nfs/dbraw/zinc/89/22/38/1137892238.db2.gz LFFXXBUDOUAZFM-OCCSQVGLSA-N 1 2 339.361 3.742 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCc3ccccc32)c(C)[nH+]1 ZINC000331397547 1137892957 /nfs/dbraw/zinc/89/29/57/1137892957.db2.gz ODXCFNIINONXIV-OAHLLOKOSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331410586 1137893479 /nfs/dbraw/zinc/89/34/79/1137893479.db2.gz NIGLRHVMMKLUGX-CYBMUJFWSA-N 1 2 346.862 3.775 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+](C)CCn3cccn3)cs2)cc1 ZINC000111279126 1137904031 /nfs/dbraw/zinc/90/40/31/1137904031.db2.gz OZZRZMFKHTXPLP-UHFFFAOYSA-N 1 2 342.468 3.537 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+](C)CCn3cccn3)cs2)cc1 ZINC000111279126 1137904032 /nfs/dbraw/zinc/90/40/32/1137904032.db2.gz OZZRZMFKHTXPLP-UHFFFAOYSA-N 1 2 342.468 3.537 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)cs1 ZINC000111375596 1137904307 /nfs/dbraw/zinc/90/43/07/1137904307.db2.gz YYXYUPGGOBEQKX-HUUCEWRRSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000111376422 1137904354 /nfs/dbraw/zinc/90/43/54/1137904354.db2.gz CUFBJCNDAQIGCI-KGLIPLIRSA-N 1 2 335.517 3.751 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000111376749 1137904578 /nfs/dbraw/zinc/90/45/78/1137904578.db2.gz FQLIFFCWHDLJIN-NEPJUHHUSA-N 1 2 335.448 3.831 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000112536102 1137908443 /nfs/dbraw/zinc/90/84/43/1137908443.db2.gz BYAOUJBXQRSDSK-ZJUUUORDSA-N 1 2 329.322 3.731 20 0 EHADLO O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001137203213 1137910617 /nfs/dbraw/zinc/91/06/17/1137910617.db2.gz POSHILLIKWCZRM-JSGCOSHPSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001137203213 1137910618 /nfs/dbraw/zinc/91/06/18/1137910618.db2.gz POSHILLIKWCZRM-JSGCOSHPSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1cc(F)ccc1F ZINC001202665582 1137913255 /nfs/dbraw/zinc/91/32/55/1137913255.db2.gz WDGSRKVDHDCGGQ-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681403 1137917035 /nfs/dbraw/zinc/91/70/35/1137917035.db2.gz WFGBUDZOXOFLIQ-BBRMVZONSA-N 1 2 328.460 3.694 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681403 1137917036 /nfs/dbraw/zinc/91/70/36/1137917036.db2.gz WFGBUDZOXOFLIQ-BBRMVZONSA-N 1 2 328.460 3.694 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000114712980 1137918437 /nfs/dbraw/zinc/91/84/37/1137918437.db2.gz QHRKEVKIKJWZMO-CQSZACIVSA-N 1 2 341.484 3.869 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000114712980 1137918438 /nfs/dbraw/zinc/91/84/38/1137918438.db2.gz QHRKEVKIKJWZMO-CQSZACIVSA-N 1 2 341.484 3.869 20 0 EHADLO OCCC[N@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000114722802 1137918604 /nfs/dbraw/zinc/91/86/04/1137918604.db2.gz OPOJTACQPPPUHN-LJQANCHMSA-N 1 2 349.434 3.609 20 0 EHADLO OCCC[N@@H+](Cc1noc(-c2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000114722802 1137918605 /nfs/dbraw/zinc/91/86/05/1137918605.db2.gz OPOJTACQPPPUHN-LJQANCHMSA-N 1 2 349.434 3.609 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000331883529 1137924497 /nfs/dbraw/zinc/92/44/97/1137924497.db2.gz DDIUARFSABFMIG-CYBMUJFWSA-N 1 2 332.835 3.712 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000331898169 1137924914 /nfs/dbraw/zinc/92/49/14/1137924914.db2.gz LBHGKJPBNSJCOS-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2)cs1 ZINC000348306368 1137925211 /nfs/dbraw/zinc/92/52/11/1137925211.db2.gz DLJKNPUAXYCQGB-UONOGXRCSA-N 1 2 331.485 3.576 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331953557 1137926791 /nfs/dbraw/zinc/92/67/91/1137926791.db2.gz PBKOPMYDPBPOPR-BPQIPLTHSA-N 1 2 347.503 3.593 20 0 EHADLO CCOc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C ZINC000332342416 1137940745 /nfs/dbraw/zinc/94/07/45/1137940745.db2.gz WDVFMACKGDXTLF-UHFFFAOYSA-N 1 2 328.416 3.528 20 0 EHADLO CCOc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C ZINC000332342416 1137940746 /nfs/dbraw/zinc/94/07/46/1137940746.db2.gz WDVFMACKGDXTLF-UHFFFAOYSA-N 1 2 328.416 3.528 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332365304 1137941632 /nfs/dbraw/zinc/94/16/32/1137941632.db2.gz DMNGDLNTNJLRPG-UHFFFAOYSA-N 1 2 328.416 3.528 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC(F)(c3ccccn3)CC2)n1 ZINC000332408217 1137943012 /nfs/dbraw/zinc/94/30/12/1137943012.db2.gz DMDJKHGTIBFVDH-AWEZNQCLSA-N 1 2 332.423 3.829 20 0 EHADLO OC[C@@]1(C(F)(F)F)CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000884728608 1137971525 /nfs/dbraw/zinc/97/15/25/1137971525.db2.gz VVSXMROWRPANMZ-CQSZACIVSA-N 1 2 330.737 3.639 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1nccn1C ZINC000348331596 1137972738 /nfs/dbraw/zinc/97/27/38/1137972738.db2.gz VWGJDRSCCXDWHK-CYBMUJFWSA-N 1 2 333.304 3.958 20 0 EHADLO Cc1n[nH]c(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)c1C ZINC000886038372 1138034088 /nfs/dbraw/zinc/03/40/88/1138034088.db2.gz UBSSCRSODFNJCV-UHFFFAOYSA-N 1 2 341.484 3.727 20 0 EHADLO Cc1n[nH]c(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1C ZINC000886038372 1138034091 /nfs/dbraw/zinc/03/40/91/1138034091.db2.gz UBSSCRSODFNJCV-UHFFFAOYSA-N 1 2 341.484 3.727 20 0 EHADLO COc1cc(C)cc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c1OC ZINC000886060234 1138036533 /nfs/dbraw/zinc/03/65/33/1138036533.db2.gz XXQABPDLOBRFLW-KRWDZBQOSA-N 1 2 343.471 3.957 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccccc2)c1C ZINC000057604978 1138059873 /nfs/dbraw/zinc/05/98/73/1138059873.db2.gz LLCSLGVYDOBOTD-OAHLLOKOSA-N 1 2 327.428 3.610 20 0 EHADLO Cc1scc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1C ZINC000886302121 1138065947 /nfs/dbraw/zinc/06/59/47/1138065947.db2.gz FOITZOCMOJREDG-UHFFFAOYSA-N 1 2 331.416 3.768 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nc(C4CCC4)no3)C2)n1 ZINC000886690351 1138116095 /nfs/dbraw/zinc/11/60/95/1138116095.db2.gz UTWBGIJMRLHJMV-CYBMUJFWSA-N 1 2 332.473 3.557 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nc(C4CCC4)no3)C2)n1 ZINC000886690351 1138116096 /nfs/dbraw/zinc/11/60/96/1138116096.db2.gz UTWBGIJMRLHJMV-CYBMUJFWSA-N 1 2 332.473 3.557 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000886722214 1138125492 /nfs/dbraw/zinc/12/54/92/1138125492.db2.gz YRXGDYNAYTVIIE-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)c1 ZINC000076342875 1138130718 /nfs/dbraw/zinc/13/07/18/1138130718.db2.gz AVBHDWKRGJNZLK-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000076342875 1138130720 /nfs/dbraw/zinc/13/07/20/1138130720.db2.gz AVBHDWKRGJNZLK-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000076984362 1138136292 /nfs/dbraw/zinc/13/62/92/1138136292.db2.gz GPPUZKSNFPYSGG-KGLIPLIRSA-N 1 2 347.821 3.643 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC=CCC2)C[C@@H](C)O1 ZINC000077274547 1138138308 /nfs/dbraw/zinc/13/83/08/1138138308.db2.gz ZIDJDGVESBIRNB-NUJGCVRESA-N 1 2 343.471 3.526 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000886797690 1138143209 /nfs/dbraw/zinc/14/32/09/1138143209.db2.gz YYJAJMVEMVXHKU-CYBMUJFWSA-N 1 2 348.415 3.618 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000886797690 1138143211 /nfs/dbraw/zinc/14/32/11/1138143211.db2.gz YYJAJMVEMVXHKU-CYBMUJFWSA-N 1 2 348.415 3.618 20 0 EHADLO CCC1(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000078492340 1138149811 /nfs/dbraw/zinc/14/98/11/1138149811.db2.gz XTYSSLPEYWMELH-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@H]1C[C@H]1[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080603207 1138163417 /nfs/dbraw/zinc/16/34/17/1138163417.db2.gz OZOJRTNGZSVDAO-IAOVAPTHSA-N 1 2 346.862 3.623 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1cccc(O)c1 ZINC000080931486 1138165206 /nfs/dbraw/zinc/16/52/06/1138165206.db2.gz ADHKGZHOVDOLES-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1cccc(O)c1 ZINC000080931486 1138165208 /nfs/dbraw/zinc/16/52/08/1138165208.db2.gz ADHKGZHOVDOLES-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO CCCc1nc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000083952859 1138177040 /nfs/dbraw/zinc/17/70/40/1138177040.db2.gz IANAOTFIRWQFHO-JOCHJYFZSA-N 1 2 333.482 3.501 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137231838 1138180364 /nfs/dbraw/zinc/18/03/64/1138180364.db2.gz UYJJTEREDOTAST-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137231838 1138180365 /nfs/dbraw/zinc/18/03/65/1138180365.db2.gz UYJJTEREDOTAST-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1ccc(-c2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000886983341 1138181805 /nfs/dbraw/zinc/18/18/05/1138181805.db2.gz VHWPVLFZXBASKU-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO CC(=O)c1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000089466566 1138199337 /nfs/dbraw/zinc/19/93/37/1138199337.db2.gz BGIHPSQHAHUJHS-UHFFFAOYSA-N 1 2 340.427 3.606 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093235135 1138235225 /nfs/dbraw/zinc/23/52/25/1138235225.db2.gz RWIKYFBILOZKHG-QGZVFWFLSA-N 1 2 325.456 3.512 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093235135 1138235227 /nfs/dbraw/zinc/23/52/27/1138235227.db2.gz RWIKYFBILOZKHG-QGZVFWFLSA-N 1 2 325.456 3.512 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093235962 1138235358 /nfs/dbraw/zinc/23/53/58/1138235358.db2.gz BPVJWORXDFVJBX-GJZGRUSLSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235962 1138235360 /nfs/dbraw/zinc/23/53/60/1138235360.db2.gz BPVJWORXDFVJBX-GJZGRUSLSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093413492 1138237436 /nfs/dbraw/zinc/23/74/36/1138237436.db2.gz FKMCCKBNEOUXJI-OAHLLOKOSA-N 1 2 344.528 3.714 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606526 1138238824 /nfs/dbraw/zinc/23/88/24/1138238824.db2.gz RBHBATXZGHEDJS-RDTXWAMCSA-N 1 2 331.435 3.739 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606526 1138238825 /nfs/dbraw/zinc/23/88/25/1138238825.db2.gz RBHBATXZGHEDJS-RDTXWAMCSA-N 1 2 331.435 3.739 20 0 EHADLO C[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc([S@](C)=O)cc1 ZINC000093712930 1138240088 /nfs/dbraw/zinc/24/00/88/1138240088.db2.gz PBNOXPHWVVKHHC-JOCHJYFZSA-N 1 2 336.526 3.810 20 0 EHADLO C[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc([S@](C)=O)cc1 ZINC000093712930 1138240091 /nfs/dbraw/zinc/24/00/91/1138240091.db2.gz PBNOXPHWVVKHHC-JOCHJYFZSA-N 1 2 336.526 3.810 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810189 1138241457 /nfs/dbraw/zinc/24/14/57/1138241457.db2.gz KATUOVNCXLXXHL-SFHVURJKSA-N 1 2 328.460 3.721 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810189 1138241459 /nfs/dbraw/zinc/24/14/59/1138241459.db2.gz KATUOVNCXLXXHL-SFHVURJKSA-N 1 2 328.460 3.721 20 0 EHADLO C[C@H](c1ccccn1)N(C)c1cc(N(C)[C@@H](C)c2ccccn2)nc[nH+]1 ZINC000122708942 1138261075 /nfs/dbraw/zinc/26/10/75/1138261075.db2.gz AHSQPLCAGUHVMV-IYBDPMFKSA-N 1 2 348.454 3.661 20 0 EHADLO C[C@H](c1ccccn1)N(C)c1cc(N(C)[C@@H](C)c2ccccn2)[nH+]cn1 ZINC000122708942 1138261077 /nfs/dbraw/zinc/26/10/77/1138261077.db2.gz AHSQPLCAGUHVMV-IYBDPMFKSA-N 1 2 348.454 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000122855238 1138263282 /nfs/dbraw/zinc/26/32/82/1138263282.db2.gz HYNKDFQFHCFUJC-FVQGUVRESA-N 1 2 335.407 3.752 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(F)c3)CCCC2)no1 ZINC000123080185 1138266103 /nfs/dbraw/zinc/26/61/03/1138266103.db2.gz PQHAEKVCCJSPIO-UHFFFAOYSA-N 1 2 346.450 3.610 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000123208146 1138267550 /nfs/dbraw/zinc/26/75/50/1138267550.db2.gz WHFBPJIQFQIAMM-RKVPGOIHSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000123326468 1138268888 /nfs/dbraw/zinc/26/88/88/1138268888.db2.gz AWRCBPQHKDTISF-DOMZBBRYSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123433211 1138270468 /nfs/dbraw/zinc/27/04/68/1138270468.db2.gz FLBXXKLZEJIMEP-IUODEOHRSA-N 1 2 337.345 3.625 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123577657 1138271528 /nfs/dbraw/zinc/27/15/28/1138271528.db2.gz BGPQVQCJUAYJKO-YQVWRLOYSA-N 1 2 325.456 3.795 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000125391094 1138307737 /nfs/dbraw/zinc/30/77/37/1138307737.db2.gz UEFVYUGJLVVJBG-XJKSGUPXSA-N 1 2 346.500 3.570 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000127072950 1138346004 /nfs/dbraw/zinc/34/60/04/1138346004.db2.gz QALXFTLXIYGVIK-WMLDXEAASA-N 1 2 326.444 3.923 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000263798877 1138369599 /nfs/dbraw/zinc/36/95/99/1138369599.db2.gz POICDRHIPCVABX-UHFFFAOYSA-N 1 2 339.226 3.848 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000263832821 1138377050 /nfs/dbraw/zinc/37/70/50/1138377050.db2.gz NVIGMWTZWNJDIT-LBPRGKRZSA-N 1 2 332.835 3.713 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000128559501 1138392985 /nfs/dbraw/zinc/39/29/85/1138392985.db2.gz OQCDBTPESZVTTA-ZDUSSCGKSA-N 1 2 329.227 3.512 20 0 EHADLO Cc1ccc(C)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264149886 1138429342 /nfs/dbraw/zinc/42/93/42/1138429342.db2.gz AGYKVOQAIPQYSU-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)c(F)cc1Cl ZINC000264153464 1138430428 /nfs/dbraw/zinc/43/04/28/1138430428.db2.gz IZZUKTWBUOSSDL-UHFFFAOYSA-N 1 2 339.773 3.635 20 0 EHADLO C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000264235817 1138450974 /nfs/dbraw/zinc/45/09/74/1138450974.db2.gz MDBKIKMTELDQHH-YFHUEUNASA-N 1 2 345.487 3.606 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264246394 1138453082 /nfs/dbraw/zinc/45/30/82/1138453082.db2.gz OACXLTVCXZEILR-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO CC[C@@H]1CCCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000264269461 1138459863 /nfs/dbraw/zinc/45/98/63/1138459863.db2.gz UMDLWMUMFXUTJX-IAGOWNOFSA-N 1 2 345.487 3.734 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000337082003 1138462690 /nfs/dbraw/zinc/46/26/90/1138462690.db2.gz XBFSEQHNJCWEDE-CYBMUJFWSA-N 1 2 340.452 3.617 20 0 EHADLO Cc1ccccc1C1CC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000337080615 1138462774 /nfs/dbraw/zinc/46/27/74/1138462774.db2.gz XOGUBSLYBUVHHB-UHFFFAOYSA-N 1 2 345.446 3.916 20 0 EHADLO Cc1ccccc1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264312349 1138471317 /nfs/dbraw/zinc/47/13/17/1138471317.db2.gz ZDAROANOZKIKBD-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nc(C5CC5)no4)C3)nc2c1 ZINC000130826297 1138479157 /nfs/dbraw/zinc/47/91/57/1138479157.db2.gz UPQQZWGPDHNYIU-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nc(C5CC5)no4)C3)nc2c1 ZINC000130826297 1138479159 /nfs/dbraw/zinc/47/91/59/1138479159.db2.gz UPQQZWGPDHNYIU-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nc(C5CC5)no4)C3)[nH]c2c1 ZINC000130826297 1138479160 /nfs/dbraw/zinc/47/91/60/1138479160.db2.gz UPQQZWGPDHNYIU-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nc(C5CC5)no4)C3)[nH]c2c1 ZINC000130826297 1138479162 /nfs/dbraw/zinc/47/91/62/1138479162.db2.gz UPQQZWGPDHNYIU-AWEZNQCLSA-N 1 2 337.427 3.511 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337158021 1138481656 /nfs/dbraw/zinc/48/16/56/1138481656.db2.gz QVITYBKPROAFMW-FUHWJXTLSA-N 1 2 341.499 3.896 20 0 EHADLO CCn1cnnc1C[NH2+][C@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131161773 1138499674 /nfs/dbraw/zinc/49/96/74/1138499674.db2.gz LNAYUGAFTUTVJB-KRWDZBQOSA-N 1 2 342.487 3.907 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000337234937 1138503273 /nfs/dbraw/zinc/50/32/73/1138503273.db2.gz AJAJABDPZPRERI-UHFFFAOYSA-N 1 2 335.382 3.518 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C(=O)OC)o1 ZINC000131436224 1138517658 /nfs/dbraw/zinc/51/76/58/1138517658.db2.gz UFALYGLJBYBHEB-KRWDZBQOSA-N 1 2 347.386 3.689 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C(=O)OC)o1 ZINC000131436224 1138517663 /nfs/dbraw/zinc/51/76/63/1138517663.db2.gz UFALYGLJBYBHEB-KRWDZBQOSA-N 1 2 347.386 3.689 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000337319780 1138531948 /nfs/dbraw/zinc/53/19/48/1138531948.db2.gz ALKIDAXMTFGBKK-UHFFFAOYSA-N 1 2 349.409 3.577 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1ccccc1Sc1ccccc1 ZINC000337338211 1138538296 /nfs/dbraw/zinc/53/82/96/1138538296.db2.gz PWLSGEIPBVXCRU-UHFFFAOYSA-N 1 2 337.448 3.741 20 0 EHADLO O=C(C[C@H]1CCCc2ccccc21)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264574308 1138564028 /nfs/dbraw/zinc/56/40/28/1138564028.db2.gz VFWMGSSDXUMBHK-LJQANCHMSA-N 1 2 349.478 3.808 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4cc(F)cc(C)c4C3)ccc2[nH+]1 ZINC000337427075 1138565905 /nfs/dbraw/zinc/56/59/05/1138565905.db2.gz ZIBYOMVUGVELMW-UHFFFAOYSA-N 1 2 338.386 3.680 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264597755 1138571126 /nfs/dbraw/zinc/57/11/26/1138571126.db2.gz IYYOGFDYDKBIOM-DGCLKSJQSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264597755 1138571127 /nfs/dbraw/zinc/57/11/27/1138571127.db2.gz IYYOGFDYDKBIOM-DGCLKSJQSA-N 1 2 346.374 3.599 20 0 EHADLO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000337540221 1138599495 /nfs/dbraw/zinc/59/94/95/1138599495.db2.gz IWHLQPAPQODIMY-MRXNPFEDSA-N 1 2 346.862 3.988 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000337556876 1138604698 /nfs/dbraw/zinc/60/46/98/1138604698.db2.gz KIZNBFUZKBNKFR-IBGZPJMESA-N 1 2 347.418 3.580 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccc2ccccc2c1 ZINC000337586992 1138614276 /nfs/dbraw/zinc/61/42/76/1138614276.db2.gz LFXXSMVREAUUKK-HRAATJIYSA-N 1 2 345.446 3.511 20 0 EHADLO CCSc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000337590183 1138614710 /nfs/dbraw/zinc/61/47/10/1138614710.db2.gz MOSZXYUMRMWDCS-GOSISDBHSA-N 1 2 344.455 3.724 20 0 EHADLO CC(C)CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337653361 1138634797 /nfs/dbraw/zinc/63/47/97/1138634797.db2.gz NCJBIGXVBFBXLJ-INIZCTEOSA-N 1 2 332.492 3.545 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC2CCC2)[C@H](C)C1 ZINC000337736700 1138655965 /nfs/dbraw/zinc/65/59/65/1138655965.db2.gz PYKYFFHRJVEJKP-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC2CCC2)[C@H](C)C1 ZINC000337736700 1138655968 /nfs/dbraw/zinc/65/59/68/1138655968.db2.gz PYKYFFHRJVEJKP-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000264900985 1138671301 /nfs/dbraw/zinc/67/13/01/1138671301.db2.gz RINYCZPZWVKRNQ-LJQANCHMSA-N 1 2 338.455 3.689 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000338258042 1138803866 /nfs/dbraw/zinc/80/38/66/1138803866.db2.gz OXUYZZURRZIHQE-SFHVURJKSA-N 1 2 344.842 3.525 20 0 EHADLO C[C@@H]1COCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000338257887 1138804124 /nfs/dbraw/zinc/80/41/24/1138804124.db2.gz ULKCYICMEFGPGB-JTQLQIEISA-N 1 2 342.226 3.512 20 0 EHADLO C[C@@H]1COCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000338257887 1138804130 /nfs/dbraw/zinc/80/41/30/1138804130.db2.gz ULKCYICMEFGPGB-JTQLQIEISA-N 1 2 342.226 3.512 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338268544 1138808566 /nfs/dbraw/zinc/80/85/66/1138808566.db2.gz UYTUGDZNBDGVAZ-UHFFFAOYSA-N 1 2 344.434 3.781 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1 ZINC000338280285 1138813443 /nfs/dbraw/zinc/81/34/43/1138813443.db2.gz LYJYFBIWQYQBLJ-RYUDHWBXSA-N 1 2 337.514 3.997 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000137141465 1138835175 /nfs/dbraw/zinc/83/51/75/1138835175.db2.gz IAGSIEVATGXLQB-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO CC1=C(c2ccco2)C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000338342288 1138842120 /nfs/dbraw/zinc/84/21/20/1138842120.db2.gz MFVDTNLOJQTMKE-ZDUSSCGKSA-N 1 2 345.830 3.834 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000338342288 1138842126 /nfs/dbraw/zinc/84/21/26/1138842126.db2.gz MFVDTNLOJQTMKE-ZDUSSCGKSA-N 1 2 345.830 3.834 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000265385661 1138845035 /nfs/dbraw/zinc/84/50/35/1138845035.db2.gz GNOXCZQVYYSSNO-MNOVXSKESA-N 1 2 341.242 3.639 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccncc1F ZINC000338347836 1138846279 /nfs/dbraw/zinc/84/62/79/1138846279.db2.gz VXUOYOXLTCFACA-GFCCVEGCSA-N 1 2 342.370 3.994 20 0 EHADLO NC(=O)c1ccc(C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000338423090 1138907329 /nfs/dbraw/zinc/90/73/29/1138907329.db2.gz ISSWUXQLDUYSCX-UHFFFAOYSA-N 1 2 335.234 3.651 20 0 EHADLO NC(=O)c1ccc(C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000338423090 1138907334 /nfs/dbraw/zinc/90/73/34/1138907334.db2.gz ISSWUXQLDUYSCX-UHFFFAOYSA-N 1 2 335.234 3.651 20 0 EHADLO O=C(c1cc(F)c2ccccc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000338458442 1138924604 /nfs/dbraw/zinc/92/46/04/1138924604.db2.gz UTJWTTAWXGSMAQ-UHFFFAOYSA-N 1 2 348.421 3.937 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000338463376 1138928078 /nfs/dbraw/zinc/92/80/78/1138928078.db2.gz OTTXTGSCFVGGIJ-UHFFFAOYSA-N 1 2 344.434 3.733 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000348494291 1138947100 /nfs/dbraw/zinc/94/71/00/1138947100.db2.gz NZDFDLTVMVBJDZ-KBPBESRZSA-N 1 2 331.485 3.542 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)occ1O ZINC000265535488 1138951190 /nfs/dbraw/zinc/95/11/90/1138951190.db2.gz VQFDXMDMEKOHHO-UHFFFAOYSA-N 1 2 335.350 3.568 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)occ1O ZINC000265535488 1138951192 /nfs/dbraw/zinc/95/11/92/1138951192.db2.gz VQFDXMDMEKOHHO-UHFFFAOYSA-N 1 2 335.350 3.568 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000151673217 1139050955 /nfs/dbraw/zinc/05/09/55/1139050955.db2.gz LHHLRLRHPMBAKX-KEYYUXOJSA-N 1 2 346.862 3.890 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151682814 1139051015 /nfs/dbraw/zinc/05/10/15/1139051015.db2.gz IIRVMUBCUGHDEE-JTDSTZFVSA-N 1 2 340.471 3.799 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C1CC1)C1CC1 ZINC000152776852 1139107765 /nfs/dbraw/zinc/10/77/65/1139107765.db2.gz AORVCAKBEWZHDM-UHFFFAOYSA-N 1 2 341.499 3.583 20 0 EHADLO Cc1cccc(NC2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)c1 ZINC000152968495 1139116420 /nfs/dbraw/zinc/11/64/20/1139116420.db2.gz PRLKXGBGMOWGJL-AWEZNQCLSA-N 1 2 326.444 3.893 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000153792576 1139152254 /nfs/dbraw/zinc/15/22/54/1139152254.db2.gz HSVFNTYYKCYXAP-JENIJYKNSA-N 1 2 340.471 3.588 20 0 EHADLO CCC[C@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000889479952 1139215220 /nfs/dbraw/zinc/21/52/20/1139215220.db2.gz WVQUVHNSMJKPNS-FQEVSTJZSA-N 1 2 325.456 3.594 20 0 EHADLO C[C@H](CC(=O)N(Cc1cccs1)Cc1ccncc1)n1cc[nH+]c1 ZINC000889487705 1139217342 /nfs/dbraw/zinc/21/73/42/1139217342.db2.gz XFNLOYMXFLEKIV-OAHLLOKOSA-N 1 2 340.452 3.520 20 0 EHADLO CCN(CC(C)(C)C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889546173 1139230377 /nfs/dbraw/zinc/23/03/77/1139230377.db2.gz XECUOYIRHFJWQI-WKILWMFISA-N 1 2 332.492 3.882 20 0 EHADLO CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCC(F)(F)CC1 ZINC000826683453 1139313996 /nfs/dbraw/zinc/31/39/96/1139313996.db2.gz WZUABOQRESZEQV-MRXNPFEDSA-N 1 2 336.426 3.895 20 0 EHADLO CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCC(F)(F)CC1 ZINC000826683453 1139314002 /nfs/dbraw/zinc/31/40/02/1139314002.db2.gz WZUABOQRESZEQV-MRXNPFEDSA-N 1 2 336.426 3.895 20 0 EHADLO CC(C)CC1(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890243947 1139328999 /nfs/dbraw/zinc/32/89/99/1139328999.db2.gz YKVZSEOEHWAWLY-QGZVFWFLSA-N 1 2 326.444 3.502 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890258412 1139332368 /nfs/dbraw/zinc/33/23/68/1139332368.db2.gz GCBDBVZKAQCHOU-SJLPKXTDSA-N 1 2 328.460 3.702 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000173684159 1139371598 /nfs/dbraw/zinc/37/15/98/1139371598.db2.gz AIESGZSOVBUAQN-UHFFFAOYSA-N 1 2 342.443 3.929 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000173901945 1139386047 /nfs/dbraw/zinc/38/60/47/1139386047.db2.gz XLVJFAQNCDBSKH-HNNXBMFYSA-N 1 2 337.423 3.658 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000175357920 1139485772 /nfs/dbraw/zinc/48/57/72/1139485772.db2.gz IWWHYDFTJSKHSF-MRXNPFEDSA-N 1 2 344.459 3.862 20 0 EHADLO Cc1cccc2nc(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000175397851 1139488320 /nfs/dbraw/zinc/48/83/20/1139488320.db2.gz QWYRNUPWONFUBM-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccc2nc(C[N@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000175397851 1139488321 /nfs/dbraw/zinc/48/83/21/1139488321.db2.gz QWYRNUPWONFUBM-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO CC(Cl)(Cl)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000777303726 1139533976 /nfs/dbraw/zinc/53/39/76/1139533976.db2.gz GRJDCRNDUQREMD-ZDUSSCGKSA-N 1 2 349.689 3.787 20 0 EHADLO C[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000176258402 1139548462 /nfs/dbraw/zinc/54/84/62/1139548462.db2.gz ABUGCDDQOJTSNZ-LBPRGKRZSA-N 1 2 337.876 3.909 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000177549062 1139625855 /nfs/dbraw/zinc/62/58/55/1139625855.db2.gz BVUIUQALABTWPK-ZPSXMKBBSA-N 1 2 335.860 3.721 20 0 EHADLO COc1c(C)ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000177587529 1139627902 /nfs/dbraw/zinc/62/79/02/1139627902.db2.gz PTXFTQSJNSFLCO-SUMWQHHRSA-N 1 2 342.443 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cs1 ZINC000177681622 1139633876 /nfs/dbraw/zinc/63/38/76/1139633876.db2.gz XSOFWPXWUURKMW-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cs1 ZINC000177681622 1139633879 /nfs/dbraw/zinc/63/38/79/1139633879.db2.gz XSOFWPXWUURKMW-RDTXWAMCSA-N 1 2 346.496 3.722 20 0 EHADLO Cc1ccc(CN(C(=O)NCc2ccn3cc[nH+]c3c2)C(C)C)s1 ZINC000177775153 1139641117 /nfs/dbraw/zinc/64/11/17/1139641117.db2.gz YLSYHQOGTZOYAX-UHFFFAOYSA-N 1 2 342.468 3.824 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc(C(C)C)s2)c1C ZINC000178509198 1139700612 /nfs/dbraw/zinc/70/06/12/1139700612.db2.gz UKMTXXIYDCOLLJ-UHFFFAOYSA-N 1 2 333.457 3.559 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000178732450 1139715504 /nfs/dbraw/zinc/71/55/04/1139715504.db2.gz BVKVDVRQCZVJQU-UHFFFAOYSA-N 1 2 329.465 3.511 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000178732450 1139715507 /nfs/dbraw/zinc/71/55/07/1139715507.db2.gz BVKVDVRQCZVJQU-UHFFFAOYSA-N 1 2 329.465 3.511 20 0 EHADLO COc1sc(C[N@H+](C)Cc2scnc2C)cc1Br ZINC000179426512 1139756048 /nfs/dbraw/zinc/75/60/48/1139756048.db2.gz LUQHKCKUMKXAJT-UHFFFAOYSA-N 1 2 347.303 3.916 20 0 EHADLO COc1sc(C[N@@H+](C)Cc2scnc2C)cc1Br ZINC000179426512 1139756055 /nfs/dbraw/zinc/75/60/55/1139756055.db2.gz LUQHKCKUMKXAJT-UHFFFAOYSA-N 1 2 347.303 3.916 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2c(F)cccc2F)c1C ZINC000179655657 1139772174 /nfs/dbraw/zinc/77/21/74/1139772174.db2.gz VSJXQRGGOKSLMI-ZDUSSCGKSA-N 1 2 348.393 3.747 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)c1 ZINC000179681324 1139774669 /nfs/dbraw/zinc/77/46/69/1139774669.db2.gz KFBXUODNVNXGBB-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179738203 1139779269 /nfs/dbraw/zinc/77/92/69/1139779269.db2.gz UJYQXWJZQJNLDS-SJKOYZFVSA-N 1 2 343.427 3.766 20 0 EHADLO c1ccc2c(c1)[nH]c1c2C[N@H+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000179848706 1139788885 /nfs/dbraw/zinc/78/88/85/1139788885.db2.gz ZHLBFDCZJDOTHS-UHFFFAOYSA-N 1 2 332.451 3.721 20 0 EHADLO c1ccc2c(c1)[nH]c1c2C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000179848706 1139788891 /nfs/dbraw/zinc/78/88/91/1139788891.db2.gz ZHLBFDCZJDOTHS-UHFFFAOYSA-N 1 2 332.451 3.721 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000179943009 1139794609 /nfs/dbraw/zinc/79/46/09/1139794609.db2.gz NNMKXYGWRZEBON-NMLACTOBSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000181092571 1139885150 /nfs/dbraw/zinc/88/51/50/1139885150.db2.gz XNOJGEZHTQISPU-AWEZNQCLSA-N 1 2 348.406 3.852 20 0 EHADLO Cc1nc(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)sc1C ZINC000181190630 1139891614 /nfs/dbraw/zinc/89/16/14/1139891614.db2.gz FTZHPSJKLFXIBT-ZDUSSCGKSA-N 1 2 342.468 3.784 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(C)n1C ZINC000181719514 1139926830 /nfs/dbraw/zinc/92/68/30/1139926830.db2.gz SQCAZUDCYSZKJM-KRWDZBQOSA-N 1 2 330.476 3.789 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183117681 1140014221 /nfs/dbraw/zinc/01/42/21/1140014221.db2.gz CKAALKORWLHTAC-AOMKIAJQSA-N 1 2 336.526 3.695 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cnn1C ZINC000183429775 1140037756 /nfs/dbraw/zinc/03/77/56/1140037756.db2.gz XXZMFBGQDZHNKN-RYUDHWBXSA-N 1 2 343.406 3.638 20 0 EHADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183853893 1140061736 /nfs/dbraw/zinc/06/17/36/1140061736.db2.gz LKWIIOPHSBIAKO-LBPRGKRZSA-N 1 2 334.851 3.517 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000184527179 1140107607 /nfs/dbraw/zinc/10/76/07/1140107607.db2.gz WFDZHKXSLYWLIS-KSSFIOAISA-N 1 2 338.407 3.737 20 0 EHADLO CSc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000184590186 1140110385 /nfs/dbraw/zinc/11/03/85/1140110385.db2.gz UWBWVJVTLSEAHU-CQSZACIVSA-N 1 2 333.526 3.744 20 0 EHADLO CSCc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000184751461 1140118860 /nfs/dbraw/zinc/11/88/60/1140118860.db2.gz CAUUABHOLHFFGI-UHFFFAOYSA-N 1 2 344.484 3.958 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)o1 ZINC000184790733 1140120482 /nfs/dbraw/zinc/12/04/82/1140120482.db2.gz YDGLPLKJJDYPGI-GUYCJALGSA-N 1 2 348.418 3.594 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185242059 1140141162 /nfs/dbraw/zinc/14/11/62/1140141162.db2.gz JYAZDJNQDLYMIO-MLGOLLRUSA-N 1 2 333.407 3.641 20 0 EHADLO COCC1=CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000185822015 1140172380 /nfs/dbraw/zinc/17/23/80/1140172380.db2.gz IFWMHXPWDORVKY-ZDUSSCGKSA-N 1 2 347.846 3.653 20 0 EHADLO COCC1=CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000185822015 1140172382 /nfs/dbraw/zinc/17/23/82/1140172382.db2.gz IFWMHXPWDORVKY-ZDUSSCGKSA-N 1 2 347.846 3.653 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([C@H]3C[C@@H]3C)o1)n2C ZINC000185839194 1140173129 /nfs/dbraw/zinc/17/31/29/1140173129.db2.gz RVYZLXOKWRZELZ-WFASDCNBSA-N 1 2 325.412 3.588 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185938611 1140178526 /nfs/dbraw/zinc/17/85/26/1140178526.db2.gz RUXYGBVZQHHOML-ONGXEEELSA-N 1 2 349.422 3.650 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OC ZINC000186818009 1140223116 /nfs/dbraw/zinc/22/31/16/1140223116.db2.gz GQPGIKKYLDVJGO-ZDUSSCGKSA-N 1 2 348.443 3.858 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(F)cc1Br)C1CC1 ZINC000187761436 1140270062 /nfs/dbraw/zinc/27/00/62/1140270062.db2.gz RYXBCPOLDGXBTK-CQSZACIVSA-N 1 2 338.224 3.563 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1C=CCCC1 ZINC000188337395 1140292758 /nfs/dbraw/zinc/29/27/58/1140292758.db2.gz PGPJCJHSFJVQDQ-GOSISDBHSA-N 1 2 341.499 3.893 20 0 EHADLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)c1c(Cl)cccc1Cl ZINC000188854221 1140311194 /nfs/dbraw/zinc/31/11/94/1140311194.db2.gz HHSOYLSPMRALMK-LLVKDONJSA-N 1 2 340.254 3.579 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(CSC)c2)cs1 ZINC000189480351 1140345898 /nfs/dbraw/zinc/34/58/98/1140345898.db2.gz YIVBVDQQLAJNNQ-UHFFFAOYSA-N 1 2 349.525 3.669 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000189806300 1140364279 /nfs/dbraw/zinc/36/42/79/1140364279.db2.gz GSLGKWACNRVSOX-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000189806300 1140364286 /nfs/dbraw/zinc/36/42/86/1140364286.db2.gz GSLGKWACNRVSOX-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191205073 1140444339 /nfs/dbraw/zinc/44/43/39/1140444339.db2.gz VBXDATNTVNDIBV-UHFFFAOYSA-N 1 2 345.446 3.967 20 0 EHADLO CC1(CO)CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191497608 1140466950 /nfs/dbraw/zinc/46/69/50/1140466950.db2.gz PGNIXCCPTVCWRY-UHFFFAOYSA-N 1 2 338.698 3.758 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000191604315 1140474509 /nfs/dbraw/zinc/47/45/09/1140474509.db2.gz FIHLNDLBYMENMO-ZDUSSCGKSA-N 1 2 332.473 3.658 20 0 EHADLO CCc1c(NCc2c[nH+]cn2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000191684841 1140479569 /nfs/dbraw/zinc/47/95/69/1140479569.db2.gz UJNAEJHHZKXPPH-UHFFFAOYSA-N 1 2 349.360 3.799 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C ZINC000191788543 1140485080 /nfs/dbraw/zinc/48/50/80/1140485080.db2.gz OGMCJFZESSEXRR-JSGCOSHPSA-N 1 2 348.443 3.580 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C ZINC000191788543 1140485083 /nfs/dbraw/zinc/48/50/83/1140485083.db2.gz OGMCJFZESSEXRR-JSGCOSHPSA-N 1 2 348.443 3.580 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C(F)F)c1 ZINC000192248566 1140513756 /nfs/dbraw/zinc/51/37/56/1140513756.db2.gz VOVIRDCHZHHSPJ-UHFFFAOYSA-N 1 2 335.398 3.936 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(F)c(C)c1 ZINC000192283378 1140519119 /nfs/dbraw/zinc/51/91/19/1140519119.db2.gz LAJMIVHGFMWVRD-UHFFFAOYSA-N 1 2 346.450 3.515 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192423363 1140531192 /nfs/dbraw/zinc/53/11/92/1140531192.db2.gz DLCQKKVMEKPTRB-UHFFFAOYSA-N 1 2 345.205 3.883 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000192511176 1140536437 /nfs/dbraw/zinc/53/64/37/1140536437.db2.gz JUYJYKHONISHJV-UHFFFAOYSA-N 1 2 346.862 3.635 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@H](C)c3cnn(C)c3)cs2)cc1 ZINC000266170419 1140650632 /nfs/dbraw/zinc/65/06/32/1140650632.db2.gz QYEPFJJUXVKTRE-CQSZACIVSA-N 1 2 342.468 3.615 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cs1 ZINC000266178688 1140651367 /nfs/dbraw/zinc/65/13/67/1140651367.db2.gz FKAHZFBDUQWSEU-SNVBAGLBSA-N 1 2 328.384 3.742 20 0 EHADLO Cc1ccc(-c2cnc(C[NH+]3CCN(c4cccc(O)c4)CC3)o2)cc1 ZINC000266541189 1140700597 /nfs/dbraw/zinc/70/05/97/1140700597.db2.gz PVNBUEJRCYCSEC-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1cccc(F)c1 ZINC000266790830 1140724060 /nfs/dbraw/zinc/72/40/60/1140724060.db2.gz BCKMYOZEQDHVEV-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000267027793 1140751392 /nfs/dbraw/zinc/75/13/92/1140751392.db2.gz AJTPJRYQSBIYOO-UHFFFAOYSA-N 1 2 344.267 3.575 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000267164129 1140764508 /nfs/dbraw/zinc/76/45/08/1140764508.db2.gz GUJWNWIFHMTRRW-UHFFFAOYSA-N 1 2 345.446 3.928 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000267221564 1140769710 /nfs/dbraw/zinc/76/97/10/1140769710.db2.gz HMECKRWYPROBFT-ZWKOTPCHSA-N 1 2 343.496 3.726 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364197 1140783135 /nfs/dbraw/zinc/78/31/35/1140783135.db2.gz ITVSRAYQQRCPNL-DYVFJYSZSA-N 1 2 329.831 3.533 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000267364197 1140783138 /nfs/dbraw/zinc/78/31/38/1140783138.db2.gz ITVSRAYQQRCPNL-DYVFJYSZSA-N 1 2 329.831 3.533 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cs1 ZINC000267605680 1140810055 /nfs/dbraw/zinc/81/00/55/1140810055.db2.gz GGTHJFGSMHENJA-GFCCVEGCSA-N 1 2 332.469 3.854 20 0 EHADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000267724581 1140826116 /nfs/dbraw/zinc/82/61/16/1140826116.db2.gz MEFRDTCGPDDDMR-NNFUDEMPSA-N 1 2 345.487 3.606 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(Br)cc2)s1 ZINC000268150015 1140892190 /nfs/dbraw/zinc/89/21/90/1140892190.db2.gz ATVKIJAPXKZVJW-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000268337799 1140922472 /nfs/dbraw/zinc/92/24/72/1140922472.db2.gz ZHLXPONFOLOAGP-UHFFFAOYSA-N 1 2 327.472 3.711 20 0 EHADLO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268347166 1140923541 /nfs/dbraw/zinc/92/35/41/1140923541.db2.gz CEFGVYLEZYIHNI-BBRMVZONSA-N 1 2 349.887 3.738 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nncn2CC)c(OCCC)c1 ZINC000268780987 1140990366 /nfs/dbraw/zinc/99/03/66/1140990366.db2.gz PTGCOQQRLMKCGL-HNNXBMFYSA-N 1 2 346.475 3.726 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)nnn1-c1ccc(C)cc1 ZINC000268882018 1141015762 /nfs/dbraw/zinc/01/57/62/1141015762.db2.gz MZJPEOWZZAIQNL-AUUYWEPGSA-N 1 2 348.450 3.928 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000268953063 1141033303 /nfs/dbraw/zinc/03/33/03/1141033303.db2.gz VZDGABFGNJPKBL-UHFFFAOYSA-N 1 2 338.333 3.602 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000268953063 1141033306 /nfs/dbraw/zinc/03/33/06/1141033306.db2.gz VZDGABFGNJPKBL-UHFFFAOYSA-N 1 2 338.333 3.602 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000268961625 1141035711 /nfs/dbraw/zinc/03/57/11/1141035711.db2.gz ITJYOBIDDJOFHJ-DJIMGWMZSA-N 1 2 329.444 3.791 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000268961625 1141035718 /nfs/dbraw/zinc/03/57/18/1141035718.db2.gz ITJYOBIDDJOFHJ-DJIMGWMZSA-N 1 2 329.444 3.791 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc(CC(C)C)s2)cs1 ZINC000269430588 1141107719 /nfs/dbraw/zinc/10/77/19/1141107719.db2.gz PIXOUMAKYHEVRU-LLVKDONJSA-N 1 2 325.503 3.795 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1)OCO2 ZINC000269490903 1141114758 /nfs/dbraw/zinc/11/47/58/1141114758.db2.gz OQEVHLQRXKJRAH-ZDUSSCGKSA-N 1 2 336.338 3.682 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1)OCO2 ZINC000269490903 1141114764 /nfs/dbraw/zinc/11/47/64/1141114764.db2.gz OQEVHLQRXKJRAH-ZDUSSCGKSA-N 1 2 336.338 3.682 20 0 EHADLO CCCC[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC ZINC000270105749 1141179477 /nfs/dbraw/zinc/17/94/77/1141179477.db2.gz DSUGXHAVSSMVQR-GOSISDBHSA-N 1 2 339.439 3.746 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ncc(Br)s1 ZINC000270189648 1141190528 /nfs/dbraw/zinc/19/05/28/1141190528.db2.gz HZIAGQBGIYPUJB-ZYHUDNBSSA-N 1 2 341.274 3.680 20 0 EHADLO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000270472637 1141228000 /nfs/dbraw/zinc/22/80/00/1141228000.db2.gz CDMBSBUCXJUZCN-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)oc1C1CC1 ZINC000270666841 1141253173 /nfs/dbraw/zinc/25/31/73/1141253173.db2.gz WNWLXUHJNSMUJO-HNNXBMFYSA-N 1 2 326.396 3.660 20 0 EHADLO c1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)oc1C1CC1 ZINC000270666841 1141253176 /nfs/dbraw/zinc/25/31/76/1141253176.db2.gz WNWLXUHJNSMUJO-HNNXBMFYSA-N 1 2 326.396 3.660 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270717005 1141261053 /nfs/dbraw/zinc/26/10/53/1141261053.db2.gz WCHHOHAWHHKPME-KYJSFNMBSA-N 1 2 338.455 3.622 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000271167935 1141317973 /nfs/dbraw/zinc/31/79/73/1141317973.db2.gz COUPKVOEEOBTGF-KRWDZBQOSA-N 1 2 333.501 3.890 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000271167935 1141317978 /nfs/dbraw/zinc/31/79/78/1141317978.db2.gz COUPKVOEEOBTGF-KRWDZBQOSA-N 1 2 333.501 3.890 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000271614664 1141406914 /nfs/dbraw/zinc/40/69/14/1141406914.db2.gz CAIKWRCYOPSPPO-RHSMWYFYSA-N 1 2 348.454 3.999 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000271752350 1141420692 /nfs/dbraw/zinc/42/06/92/1141420692.db2.gz YUZIASWBNRLTTN-SNVBAGLBSA-N 1 2 338.201 3.680 20 0 EHADLO CCC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000273896082 1141442428 /nfs/dbraw/zinc/44/24/28/1141442428.db2.gz DQNPJCJWMQFJAF-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348573302 1141553115 /nfs/dbraw/zinc/55/31/15/1141553115.db2.gz DVIZYXUNBLGCLL-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348573302 1141553117 /nfs/dbraw/zinc/55/31/17/1141553117.db2.gz DVIZYXUNBLGCLL-AWEZNQCLSA-N 1 2 329.469 3.571 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC000348577665 1141554286 /nfs/dbraw/zinc/55/42/86/1141554286.db2.gz MPMSLGFRZBSHAD-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC000348577665 1141554287 /nfs/dbraw/zinc/55/42/87/1141554287.db2.gz MPMSLGFRZBSHAD-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810978 1141584359 /nfs/dbraw/zinc/58/43/59/1141584359.db2.gz TYGJWWOPIRENBH-RKVPGOIHSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000348810978 1141584361 /nfs/dbraw/zinc/58/43/61/1141584361.db2.gz TYGJWWOPIRENBH-RKVPGOIHSA-N 1 2 330.472 3.626 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@H]3c3cccnc3)c(C(C)C)nc2s1 ZINC000348895733 1141605496 /nfs/dbraw/zinc/60/54/96/1141605496.db2.gz RTQZRIIHQLOBBX-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@H]3c3cccnc3)c(C(C)C)nc2s1 ZINC000348895733 1141605497 /nfs/dbraw/zinc/60/54/97/1141605497.db2.gz RTQZRIIHQLOBBX-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO CCOc1c(Br)cc(Cl)cc1NCc1[nH+]ccn1C ZINC000051922089 214108223 /nfs/dbraw/zinc/10/82/23/214108223.db2.gz DNNVCLODKMOZJX-UHFFFAOYSA-N 1 2 344.640 3.847 20 0 EHADLO CCC[N@H+](CC(=O)NC1CC1)[C@@H](C)c1ccccc1Br ZINC000052134830 214119203 /nfs/dbraw/zinc/11/92/03/214119203.db2.gz SKMDUFTWLDKURH-LBPRGKRZSA-N 1 2 339.277 3.501 20 0 EHADLO CCC[N@@H+](CC(=O)NC1CC1)[C@@H](C)c1ccccc1Br ZINC000052134830 214119206 /nfs/dbraw/zinc/11/92/06/214119206.db2.gz SKMDUFTWLDKURH-LBPRGKRZSA-N 1 2 339.277 3.501 20 0 EHADLO Nc1cccc2c1CC[N@H+](Cc1ccc(F)c(Br)c1)C2 ZINC000038032454 213194351 /nfs/dbraw/zinc/19/43/51/213194351.db2.gz ZLDIIAMEZDVFRI-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc2c1CC[N@@H+](Cc1ccc(F)c(Br)c1)C2 ZINC000038032454 213194353 /nfs/dbraw/zinc/19/43/53/213194353.db2.gz ZLDIIAMEZDVFRI-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccccc1Cl ZINC000036126025 213071415 /nfs/dbraw/zinc/07/14/15/213071415.db2.gz KXQNEKIAUTXGRG-UHFFFAOYSA-N 1 2 327.815 3.818 20 0 EHADLO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)Cn2cc[nH+]c2)cc1 ZINC000023387422 212374541 /nfs/dbraw/zinc/37/45/41/212374541.db2.gz KVWUKPQTLMWAOH-LJQANCHMSA-N 1 2 336.435 3.649 20 0 EHADLO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H]1CCCO1 ZINC000078728089 217110322 /nfs/dbraw/zinc/11/03/22/217110322.db2.gz OEYBALBWHNAAHA-GFCCVEGCSA-N 1 2 346.254 3.538 20 0 EHADLO COC(=O)CC[N@H+](Cc1c(Cl)cccc1Cl)C[C@H]1CCCO1 ZINC000078728089 217110323 /nfs/dbraw/zinc/11/03/23/217110323.db2.gz OEYBALBWHNAAHA-GFCCVEGCSA-N 1 2 346.254 3.538 20 0 EHADLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000097513674 219031373 /nfs/dbraw/zinc/03/13/73/219031373.db2.gz BFELFNZZXJRHEL-TWGQIWQCSA-N 1 2 345.446 3.639 20 0 EHADLO COc1ccc2[nH+]c(C)nc(NCc3ccccc3NC(C)=O)c2c1 ZINC000535070592 478195252 /nfs/dbraw/zinc/19/52/52/478195252.db2.gz FKKXGASGRZGVPY-UHFFFAOYSA-N 1 2 336.395 3.517 20 0 EHADLO CC[C@@H](C)Oc1nccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527849288 478546155 /nfs/dbraw/zinc/54/61/55/478546155.db2.gz LGQLBZJUVVSOMF-OAHLLOKOSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000225499936 564135426 /nfs/dbraw/zinc/13/54/26/564135426.db2.gz BKDOUJFTKSEHGF-HOCLYGCPSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000225499936 564135427 /nfs/dbraw/zinc/13/54/27/564135427.db2.gz BKDOUJFTKSEHGF-HOCLYGCPSA-N 1 2 340.345 3.618 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1Cl ZINC000820026952 599438305 /nfs/dbraw/zinc/43/83/05/599438305.db2.gz NISSSMUXZWNIHL-HNNXBMFYSA-N 1 2 331.807 3.600 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000484896422 1032068077 /nfs/dbraw/zinc/06/80/77/1032068077.db2.gz XJEWAASUCLFUGS-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000528318701 1032071097 /nfs/dbraw/zinc/07/10/97/1032071097.db2.gz MDQWTNQSIGROGN-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000620148650 1125485829 /nfs/dbraw/zinc/48/58/29/1125485829.db2.gz TZZRYYAGRHDZQG-VHSXEESVSA-N 1 2 329.322 3.731 20 0 EHADLO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108536 1014331436 /nfs/dbraw/zinc/33/14/36/1014331436.db2.gz DUYBYIMUKWXKHQ-DNVCBOLYSA-N 1 2 346.352 3.893 20 0 EHADLO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108536 1014331445 /nfs/dbraw/zinc/33/14/45/1014331445.db2.gz DUYBYIMUKWXKHQ-DNVCBOLYSA-N 1 2 346.352 3.893 20 0 EHADLO CC[C@@H]1CCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497463 1032093378 /nfs/dbraw/zinc/09/33/78/1032093378.db2.gz KXJKTXUYYQNKNW-AEFFLSMTSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000182397114 1032093850 /nfs/dbraw/zinc/09/38/50/1032093850.db2.gz GHJIBQZYRZACLR-QAPCUYQASA-N 1 2 326.444 3.523 20 0 EHADLO C/C(=C/c1ccccc1)CN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000683148946 1014528174 /nfs/dbraw/zinc/52/81/74/1014528174.db2.gz KBHKCUAKQNVXDI-JXAWBTAJSA-N 1 2 349.478 3.747 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339476447 1014550054 /nfs/dbraw/zinc/55/00/54/1014550054.db2.gz FNANQJKHJHQUES-RDJZCZTQSA-N 1 2 345.874 3.829 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898019 1014597917 /nfs/dbraw/zinc/59/79/17/1014597917.db2.gz UXIACLUPUKFAAK-UHFFFAOYSA-N 1 2 330.453 3.750 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898019 1014597924 /nfs/dbraw/zinc/59/79/24/1014597924.db2.gz UXIACLUPUKFAAK-UHFFFAOYSA-N 1 2 330.453 3.750 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(S(C)(=O)=O)c2)s1 ZINC000449023878 1032097700 /nfs/dbraw/zinc/09/77/00/1032097700.db2.gz VTXLUEJMKNLGSX-INIZCTEOSA-N 1 2 335.494 3.797 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(S(C)(=O)=O)c2)s1 ZINC000449023878 1032097717 /nfs/dbraw/zinc/09/77/17/1032097717.db2.gz VTXLUEJMKNLGSX-INIZCTEOSA-N 1 2 335.494 3.797 20 0 EHADLO CCS[C@@H](C)c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000153947374 1014631332 /nfs/dbraw/zinc/63/13/32/1014631332.db2.gz IOVZVJSPJQZDLD-LBPRGKRZSA-N 1 2 330.413 3.648 20 0 EHADLO CCN(CC)c1ncc(C[NH2+]Cc2c(F)cc(F)cc2F)s1 ZINC000339521932 1014694423 /nfs/dbraw/zinc/69/44/23/1014694423.db2.gz YDSOGOQEUTVBCF-UHFFFAOYSA-N 1 2 329.391 3.696 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)c(F)c1 ZINC000634580947 1015014055 /nfs/dbraw/zinc/01/40/55/1015014055.db2.gz NEJIUTVPNMJMCA-SJCJKPOMSA-N 1 2 336.357 3.901 20 0 EHADLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000634580939 1015013359 /nfs/dbraw/zinc/01/33/59/1015013359.db2.gz NBVCEHPSNGAAFG-YGRLFVJLSA-N 1 2 339.773 3.502 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H]3CCCn4nccc43)o2)cc1C ZINC000634582103 1015034107 /nfs/dbraw/zinc/03/41/07/1015034107.db2.gz KRMFGYDZEAUUPC-ZBFHGGJFSA-N 1 2 337.427 3.736 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000339595611 1015127791 /nfs/dbraw/zinc/12/77/91/1015127791.db2.gz SVQNVUFZAVFGHL-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000339595611 1015127796 /nfs/dbraw/zinc/12/77/96/1015127796.db2.gz SVQNVUFZAVFGHL-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)CCC(F)(F)F)cn1 ZINC000430234533 1015150535 /nfs/dbraw/zinc/15/05/35/1015150535.db2.gz ATEGYIJXUAVZDW-UHFFFAOYSA-N 1 2 325.334 3.536 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)CCC(F)(F)F)cn1 ZINC000430234533 1015150541 /nfs/dbraw/zinc/15/05/41/1015150541.db2.gz ATEGYIJXUAVZDW-UHFFFAOYSA-N 1 2 325.334 3.536 20 0 EHADLO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000023991284 1015184905 /nfs/dbraw/zinc/18/49/05/1015184905.db2.gz VZJQPSBUXNROMA-CYBMUJFWSA-N 1 2 339.277 3.961 20 0 EHADLO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000023991284 1015184908 /nfs/dbraw/zinc/18/49/08/1015184908.db2.gz VZJQPSBUXNROMA-CYBMUJFWSA-N 1 2 339.277 3.961 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000655228453 1015242702 /nfs/dbraw/zinc/24/27/02/1015242702.db2.gz COVDJRKBPDDRSW-UHFFFAOYSA-N 1 2 341.455 3.826 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000579851029 1015248907 /nfs/dbraw/zinc/24/89/07/1015248907.db2.gz GCOJIGHSEITADS-CQSZACIVSA-N 1 2 331.485 3.668 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000579851029 1015248914 /nfs/dbraw/zinc/24/89/14/1015248914.db2.gz GCOJIGHSEITADS-CQSZACIVSA-N 1 2 331.485 3.668 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471181182 1015319191 /nfs/dbraw/zinc/31/91/91/1015319191.db2.gz CZVHVRDEPCIPGC-OAQYLSRUSA-N 1 2 349.478 3.981 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471181182 1015319201 /nfs/dbraw/zinc/31/92/01/1015319201.db2.gz CZVHVRDEPCIPGC-OAQYLSRUSA-N 1 2 349.478 3.981 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000324227660 1015341777 /nfs/dbraw/zinc/34/17/77/1015341777.db2.gz RCSOXJMDWQVGQA-OAHLLOKOSA-N 1 2 328.460 3.643 20 0 EHADLO O=C(CCc1cccc(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069393404 1015336743 /nfs/dbraw/zinc/33/67/43/1015336743.db2.gz KAOLINRUDZXPFQ-UHFFFAOYSA-N 1 2 339.826 3.775 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H](CCO)c1ccccc1 ZINC000154441742 1015447288 /nfs/dbraw/zinc/44/72/88/1015447288.db2.gz OTHBJKMJPYJFHB-GFCCVEGCSA-N 1 2 330.375 3.717 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H](CCO)c1ccccc1 ZINC000154441742 1015447296 /nfs/dbraw/zinc/44/72/96/1015447296.db2.gz OTHBJKMJPYJFHB-GFCCVEGCSA-N 1 2 330.375 3.717 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](C)Cc2ccc(OC)cc2OC)s1 ZINC000179616881 1015489079 /nfs/dbraw/zinc/48/90/79/1015489079.db2.gz CGNDPUGXRVLQCS-UHFFFAOYSA-N 1 2 349.500 3.639 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](C)Cc2ccc(OC)cc2OC)s1 ZINC000179616881 1015489087 /nfs/dbraw/zinc/48/90/87/1015489087.db2.gz CGNDPUGXRVLQCS-UHFFFAOYSA-N 1 2 349.500 3.639 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000683256886 1015548909 /nfs/dbraw/zinc/54/89/09/1015548909.db2.gz QBAMXWQGDCEAHY-SJLPKXTDSA-N 1 2 331.504 3.923 20 0 EHADLO CC[C@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(C)noc1C ZINC000339756814 1015652911 /nfs/dbraw/zinc/65/29/11/1015652911.db2.gz OHCAEPSNYOCSHK-DOMZBBRYSA-N 1 2 345.443 3.751 20 0 EHADLO C[C@H]1CCN(Cc2ncc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000182713280 1032123635 /nfs/dbraw/zinc/12/36/35/1032123635.db2.gz QPJCZXBYLIDKMV-NHYWBVRUSA-N 1 2 325.243 3.668 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000274981601 1015693879 /nfs/dbraw/zinc/69/38/79/1015693879.db2.gz KDFVEEUOZXJKNN-QGZVFWFLSA-N 1 2 330.428 3.775 20 0 EHADLO FC1(F)C[C@H]2C[N@H+](CCc3c(Cl)cccc3Cl)CCN2C1 ZINC001209108688 1015819237 /nfs/dbraw/zinc/81/92/37/1015819237.db2.gz QPJFYFCGASAQSI-NSHDSACASA-N 1 2 335.225 3.561 20 0 EHADLO FC1(F)C[C@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)CCN2C1 ZINC001209108688 1015819238 /nfs/dbraw/zinc/81/92/38/1015819238.db2.gz QPJFYFCGASAQSI-NSHDSACASA-N 1 2 335.225 3.561 20 0 EHADLO O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000134812163 1015821465 /nfs/dbraw/zinc/82/14/65/1015821465.db2.gz VDSJPADVZMFJOF-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000154823930 1015821523 /nfs/dbraw/zinc/82/15/23/1015821523.db2.gz WFCPVSQCBZLNFF-VQTJNVASSA-N 1 2 333.435 3.689 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000076022814 1015829095 /nfs/dbraw/zinc/82/90/95/1015829095.db2.gz QMJNYIYCHQBSHC-YJBOKZPZSA-N 1 2 327.472 3.780 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(-c4nccc5ccccc54)no3)cn2c1 ZINC000904591392 1032129601 /nfs/dbraw/zinc/12/96/01/1032129601.db2.gz WNHDBHUVCZZXNX-UHFFFAOYSA-N 1 2 345.337 3.662 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000120700846 1015889592 /nfs/dbraw/zinc/88/95/92/1015889592.db2.gz WNSQRHZWCCQTDE-CRAIPNDOSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000924799454 1032133163 /nfs/dbraw/zinc/13/31/63/1032133163.db2.gz SOPFEYCBZUGSCZ-CYBMUJFWSA-N 1 2 334.803 3.575 20 0 EHADLO Clc1cc(-c2ccnc(N3CCC(n4cc[nH+]c4)CC3)c2)ccn1 ZINC001167123993 1016191370 /nfs/dbraw/zinc/19/13/70/1016191370.db2.gz OWKYSBISBZVPCG-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125595 1016205010 /nfs/dbraw/zinc/20/50/10/1016205010.db2.gz QCFOYUJGHASFMC-UHFFFAOYSA-N 1 2 331.851 3.744 20 0 EHADLO Clc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(-c2ccccc2)n1 ZINC001167125762 1016205850 /nfs/dbraw/zinc/20/58/50/1016205850.db2.gz WDQNDJGWRVODKL-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Cc1cccc2nc(Cl)nc(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167125932 1016208004 /nfs/dbraw/zinc/20/80/04/1016208004.db2.gz JXYDFPBJDXTVRZ-UHFFFAOYSA-N 1 2 327.819 3.630 20 0 EHADLO CC[C@H](c1ccccc1)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC001167128263 1016222769 /nfs/dbraw/zinc/22/27/69/1016222769.db2.gz QINKOPMQDKZLOZ-MRXNPFEDSA-N 1 2 328.485 3.617 20 0 EHADLO CC[C@H](c1ccccc1)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC001167128263 1016222774 /nfs/dbraw/zinc/22/27/74/1016222774.db2.gz QINKOPMQDKZLOZ-MRXNPFEDSA-N 1 2 328.485 3.617 20 0 EHADLO COc1cc2cnc(Cl)cc2cc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167130337 1016243057 /nfs/dbraw/zinc/24/30/57/1016243057.db2.gz SRLUAZNOHZBULK-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000181375757 1016411353 /nfs/dbraw/zinc/41/13/53/1016411353.db2.gz DYLKYPQNFDELDT-ZIAGYGMSSA-N 1 2 342.443 3.732 20 0 EHADLO COc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1OC ZINC000106366768 1016470822 /nfs/dbraw/zinc/47/08/22/1016470822.db2.gz UFIJEVUHYQUZIJ-UHFFFAOYSA-N 1 2 347.846 3.965 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc[nH]2)cc1 ZINC000340167414 1016563682 /nfs/dbraw/zinc/56/36/82/1016563682.db2.gz KYIKZIAIESZOBY-MRXNPFEDSA-N 1 2 330.794 3.519 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1c1ccccc1 ZINC000430392647 1016615218 /nfs/dbraw/zinc/61/52/18/1016615218.db2.gz JMTAUOCESVBCGP-FASAQXTFSA-N 1 2 335.382 4.000 20 0 EHADLO CCCOc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000120934234 1016638439 /nfs/dbraw/zinc/63/84/39/1016638439.db2.gz RHBUSGYLSMFTHO-UHFFFAOYSA-N 1 2 340.467 3.920 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000178482983 1016698113 /nfs/dbraw/zinc/69/81/13/1016698113.db2.gz AKGKVLYNJMMBPY-GOSISDBHSA-N 1 2 337.398 3.572 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000178482983 1016698128 /nfs/dbraw/zinc/69/81/28/1016698128.db2.gz AKGKVLYNJMMBPY-GOSISDBHSA-N 1 2 337.398 3.572 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@H](c3cccs3)c3nnc[nH]3)c21 ZINC000340227528 1016733895 /nfs/dbraw/zinc/73/38/95/1016733895.db2.gz CXMKJZBQCHWTIE-QGZVFWFLSA-N 1 2 337.452 3.578 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)c2)[nH+]c1C ZINC000376596787 1016742872 /nfs/dbraw/zinc/74/28/72/1016742872.db2.gz FUANJGRYFMVMFY-UHFFFAOYSA-N 1 2 348.362 3.793 20 0 EHADLO O=C(CCCOc1cccc2ccccc21)OCCCn1cc[nH+]c1 ZINC000782934143 1016775964 /nfs/dbraw/zinc/77/59/64/1016775964.db2.gz QXAJSENARWUBFY-UHFFFAOYSA-N 1 2 338.407 3.829 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000892695168 1016829767 /nfs/dbraw/zinc/82/97/67/1016829767.db2.gz HOKVDMZYXONDOT-GOEBONIOSA-N 1 2 335.448 3.811 20 0 EHADLO Oc1ccc(Br)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179951581 1016889256 /nfs/dbraw/zinc/88/92/56/1016889256.db2.gz XSZSVOHUGRMYJW-UHFFFAOYSA-N 1 2 338.167 3.929 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340320347 1016938438 /nfs/dbraw/zinc/93/84/38/1016938438.db2.gz MUKFPFFXSBDKKI-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)c1 ZINC000376649356 1016952199 /nfs/dbraw/zinc/95/21/99/1016952199.db2.gz SNRKBEUXBKLSGO-CQSZACIVSA-N 1 2 341.455 3.984 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)c1 ZINC000376649356 1016952211 /nfs/dbraw/zinc/95/22/11/1016952211.db2.gz SNRKBEUXBKLSGO-CQSZACIVSA-N 1 2 341.455 3.984 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579906023 1016970118 /nfs/dbraw/zinc/97/01/18/1016970118.db2.gz VMSPWNIEIWOPED-CCWDJLKJSA-N 1 2 334.423 3.522 20 0 EHADLO Cc1noc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000547837218 1017022949 /nfs/dbraw/zinc/02/29/49/1017022949.db2.gz BEHSWVDODGDYMA-AWEZNQCLSA-N 1 2 340.196 3.521 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590102521 1017025137 /nfs/dbraw/zinc/02/51/37/1017025137.db2.gz VCSJAEJJCJOFBX-QZTJIDSGSA-N 1 2 344.503 3.518 20 0 EHADLO CC1(c2ccccc2)CC(Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000459461243 1032162178 /nfs/dbraw/zinc/16/21/78/1032162178.db2.gz JYCWZSBBFVXTCF-UHFFFAOYSA-N 1 2 328.481 3.839 20 0 EHADLO FC(F)(F)c1ccccc1[C@H](NCCn1cc[nH+]c1)C(F)(F)F ZINC000183347701 1032164724 /nfs/dbraw/zinc/16/47/24/1032164724.db2.gz BYHKFVNDKHVPJN-LBPRGKRZSA-N 1 2 337.267 3.795 20 0 EHADLO CCOc1cc(-c2noc([C@H]([NH3+])C[C@H](C)CC)n2)cc(Cl)c1O ZINC000904682319 1032179781 /nfs/dbraw/zinc/17/97/81/1032179781.db2.gz BJXVUBINQHHXCD-BXKDBHETSA-N 1 2 339.823 3.930 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c(=S)o1 ZINC000176832386 1032226919 /nfs/dbraw/zinc/22/69/19/1032226919.db2.gz QGQUNJHERFDCEP-GFCCVEGCSA-N 1 2 333.457 3.959 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c(=S)o1 ZINC000176832386 1032226926 /nfs/dbraw/zinc/22/69/26/1032226926.db2.gz QGQUNJHERFDCEP-GFCCVEGCSA-N 1 2 333.457 3.959 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459524006 1032244384 /nfs/dbraw/zinc/24/43/84/1032244384.db2.gz HGIXXEGMEBVYJS-IBGZPJMESA-N 1 2 343.471 3.796 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cscn1 ZINC000647330323 1032248070 /nfs/dbraw/zinc/24/80/70/1032248070.db2.gz GYHPOFJKNRZLKE-ZWNOBZJWSA-N 1 2 346.374 3.816 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCC1 ZINC000127779952 1032263416 /nfs/dbraw/zinc/26/34/16/1032263416.db2.gz NGMOSEFQQQKAHD-ZOCIIQOWSA-N 1 2 338.455 3.600 20 0 EHADLO COc1nccnc1C[NH2+]Cc1ccc(C)cc1O[C@@H](C)CC(C)C ZINC000449192056 1032287494 /nfs/dbraw/zinc/28/74/94/1032287494.db2.gz QGDTUWQRYOYXJS-INIZCTEOSA-N 1 2 343.471 3.897 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184382036 1032289322 /nfs/dbraw/zinc/28/93/22/1032289322.db2.gz YPNNLMNMIVLOGT-OAHLLOKOSA-N 1 2 343.386 3.593 20 0 EHADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459569490 1032296086 /nfs/dbraw/zinc/29/60/86/1032296086.db2.gz KWOGEPDHBHKATR-DZGCQCFKSA-N 1 2 340.389 3.671 20 0 EHADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459569490 1032296100 /nfs/dbraw/zinc/29/61/00/1032296100.db2.gz KWOGEPDHBHKATR-DZGCQCFKSA-N 1 2 340.389 3.671 20 0 EHADLO C[C@H](CNc1cc(CSCCO)cc[nH+]1)c1cc(F)cc(F)c1 ZINC000449208605 1032310733 /nfs/dbraw/zinc/31/07/33/1032310733.db2.gz SMEYPEASFFFSCL-GFCCVEGCSA-N 1 2 338.423 3.801 20 0 EHADLO COc1cc(CC2C[NH+](Cc3ncc(C(C)C)s3)C2)cc(OC)c1 ZINC000459602614 1032322803 /nfs/dbraw/zinc/32/28/03/1032322803.db2.gz FOEUGKBFFWAHCW-UHFFFAOYSA-N 1 2 346.496 3.958 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000538388015 1032332490 /nfs/dbraw/zinc/33/24/90/1032332490.db2.gz YGJIDSLSOIGFMM-IRXDYDNUSA-N 1 2 333.435 3.853 20 0 EHADLO CC1CCC(C)(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000729601331 1032336479 /nfs/dbraw/zinc/33/64/79/1032336479.db2.gz PNQHHYVBBPBQRT-UHFFFAOYSA-N 1 2 326.444 3.640 20 0 EHADLO Clc1cc(CNc2ccc[nH+]c2N2CCOCC2)c(Cl)s1 ZINC000449220502 1032336542 /nfs/dbraw/zinc/33/65/42/1032336542.db2.gz HGPDXUFZUMKYKY-UHFFFAOYSA-N 1 2 344.267 3.899 20 0 EHADLO CSc1cccc(C)c1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185011323 1032339224 /nfs/dbraw/zinc/33/92/24/1032339224.db2.gz MRBRSSZZIPLICC-AWEZNQCLSA-N 1 2 342.468 3.512 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449255257 1032363105 /nfs/dbraw/zinc/36/31/05/1032363105.db2.gz BYWJFOQWDVBGHQ-LBPRGKRZSA-N 1 2 349.475 3.684 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449255257 1032363112 /nfs/dbraw/zinc/36/31/12/1032363112.db2.gz BYWJFOQWDVBGHQ-LBPRGKRZSA-N 1 2 349.475 3.684 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799097 1032366751 /nfs/dbraw/zinc/36/67/51/1032366751.db2.gz ZOGWWMZQALRFEA-SJLPKXTDSA-N 1 2 343.471 3.616 20 0 EHADLO CC(F)(F)CCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000905196004 1032368003 /nfs/dbraw/zinc/36/80/03/1032368003.db2.gz QRWSMRQVVRHVAN-QFIPXVFZSA-N 1 2 326.412 3.616 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C12CCCC2 ZINC000528513542 1032390508 /nfs/dbraw/zinc/39/05/08/1032390508.db2.gz WHSLHOVMXCVTRQ-GFCCVEGCSA-N 1 2 346.215 3.607 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C12CCCC2 ZINC000528513542 1032390515 /nfs/dbraw/zinc/39/05/15/1032390515.db2.gz WHSLHOVMXCVTRQ-GFCCVEGCSA-N 1 2 346.215 3.607 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)Nc1cccnc1Cl ZINC000083423785 1032395501 /nfs/dbraw/zinc/39/55/01/1032395501.db2.gz QGETYHSBYUDTEB-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC000528523090 1032399227 /nfs/dbraw/zinc/39/92/27/1032399227.db2.gz XNMAWTASWXEGJB-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC000528523090 1032399239 /nfs/dbraw/zinc/39/92/39/1032399239.db2.gz XNMAWTASWXEGJB-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)oc1C ZINC000084135111 1032416155 /nfs/dbraw/zinc/41/61/55/1032416155.db2.gz SGSLTLZZPGXBGY-QGZVFWFLSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)oc1C ZINC000084135111 1032416159 /nfs/dbraw/zinc/41/61/59/1032416159.db2.gz SGSLTLZZPGXBGY-QGZVFWFLSA-N 1 2 326.396 3.620 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)no1 ZINC000118838068 1032422339 /nfs/dbraw/zinc/42/23/39/1032422339.db2.gz ANRJZGMEABKFIP-UHFFFAOYSA-N 1 2 339.443 3.668 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000102519524 1032426275 /nfs/dbraw/zinc/42/62/75/1032426275.db2.gz IPPNEVZPGWQLJC-GFCCVEGCSA-N 1 2 338.354 3.730 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000102519524 1032426288 /nfs/dbraw/zinc/42/62/88/1032426288.db2.gz IPPNEVZPGWQLJC-GFCCVEGCSA-N 1 2 338.354 3.730 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000084737923 1032449585 /nfs/dbraw/zinc/44/95/85/1032449585.db2.gz UXWNKOOOPKCRLB-DUXPYHPUSA-N 1 2 340.492 3.804 20 0 EHADLO Cc1[nH+]c(NCc2csc(C(C)(C)C)n2)ccc1-c1cnn(C)c1 ZINC000449344891 1032462048 /nfs/dbraw/zinc/46/20/48/1032462048.db2.gz FRXRXTKQXROINO-UHFFFAOYSA-N 1 2 341.484 3.579 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000151885955 1032458290 /nfs/dbraw/zinc/45/82/90/1032458290.db2.gz XNLWJQUTDBBPJO-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000151885955 1032458299 /nfs/dbraw/zinc/45/82/99/1032458299.db2.gz XNLWJQUTDBBPJO-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802184 1032479993 /nfs/dbraw/zinc/47/99/93/1032479993.db2.gz YMHVTKLBAJNMIL-GJZGRUSLSA-N 1 2 328.460 3.530 20 0 EHADLO CC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC(F)(F)CC1 ZINC000528587676 1032492098 /nfs/dbraw/zinc/49/20/98/1032492098.db2.gz UEPDCAORYWZMMY-UHFFFAOYSA-N 1 2 333.382 3.704 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3noc(C(C)C)n3)CC2(C)C)c1 ZINC000528626738 1032522858 /nfs/dbraw/zinc/52/28/58/1032522858.db2.gz REMLODAXMJEJGV-INIZCTEOSA-N 1 2 329.444 3.827 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3noc(C(C)C)n3)CC2(C)C)c1 ZINC000528626738 1032522868 /nfs/dbraw/zinc/52/28/68/1032522868.db2.gz REMLODAXMJEJGV-INIZCTEOSA-N 1 2 329.444 3.827 20 0 EHADLO Cc1cc(NC[C@H](C)c2nc(-c3ccccc3)no2)nc(C2CC2)[nH+]1 ZINC000089641186 1032535152 /nfs/dbraw/zinc/53/51/52/1032535152.db2.gz XPXBLMJSYHGYFN-LBPRGKRZSA-N 1 2 335.411 3.928 20 0 EHADLO Cc1cc2c(ncnc2NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000090069986 1032556470 /nfs/dbraw/zinc/55/64/70/1032556470.db2.gz SYAAYAAVWZPFKL-UHFFFAOYSA-N 1 2 325.441 3.607 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000449421850 1032556327 /nfs/dbraw/zinc/55/63/27/1032556327.db2.gz JKQLRMDWVRIACF-UHFFFAOYSA-N 1 2 343.492 3.735 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000449421850 1032556328 /nfs/dbraw/zinc/55/63/28/1032556328.db2.gz JKQLRMDWVRIACF-UHFFFAOYSA-N 1 2 343.492 3.735 20 0 EHADLO CC(C)c1cc(N2CC[C@H](Cc3cnn(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000090103297 1032573348 /nfs/dbraw/zinc/57/33/48/1032573348.db2.gz UCCYUSVNYPMQFR-OAHLLOKOSA-N 1 2 327.476 3.526 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(C(N)=O)o1)c1ccc(Cl)cc1Cl ZINC000090179731 1032577233 /nfs/dbraw/zinc/57/72/33/1032577233.db2.gz QWGQDLWMDHOPJF-ZDUSSCGKSA-N 1 2 327.211 3.926 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000761000802 1032597803 /nfs/dbraw/zinc/59/78/03/1032597803.db2.gz KBHQOWQZBWYGMI-UHFFFAOYSA-N 1 2 331.803 3.552 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602107444 1032656218 /nfs/dbraw/zinc/65/62/18/1032656218.db2.gz QYABXOXVPBQEIO-UPJWGTAASA-N 1 2 349.422 3.509 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000376786911 1017112443 /nfs/dbraw/zinc/11/24/43/1017112443.db2.gz ILOSPZXFAPDQEE-KGLIPLIRSA-N 1 2 339.395 3.664 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1nc(C(F)(F)F)cs1 ZINC000343839290 1017117836 /nfs/dbraw/zinc/11/78/36/1017117836.db2.gz LAXNNVFEBFDMHA-QMMMGPOBSA-N 1 2 330.331 3.741 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000613611761 1017129723 /nfs/dbraw/zinc/12/97/23/1017129723.db2.gz KBUXXDCIYBGNMM-VXGBXAGGSA-N 1 2 343.736 3.835 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683481225 1017223108 /nfs/dbraw/zinc/22/31/08/1017223108.db2.gz ZFAQLJOPQSDMEC-WMZOPIPTSA-N 1 2 349.434 3.667 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377067055 1017297947 /nfs/dbraw/zinc/29/79/47/1017297947.db2.gz KWSZUVBCGIIUGF-ZDUSSCGKSA-N 1 2 338.436 3.900 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171947431 1017305284 /nfs/dbraw/zinc/30/52/84/1017305284.db2.gz UUXOHINXACGSFQ-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO O=C(Nc1nc(Cc2ccccc2)cs1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377064741 1017306360 /nfs/dbraw/zinc/30/63/60/1017306360.db2.gz BEFMJMNHZXYICC-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449451 1032695597 /nfs/dbraw/zinc/69/55/97/1032695597.db2.gz WXDXBCMKEWTACI-CVEARBPZSA-N 1 2 340.442 3.964 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449451 1032695600 /nfs/dbraw/zinc/69/56/00/1032695600.db2.gz WXDXBCMKEWTACI-CVEARBPZSA-N 1 2 340.442 3.964 20 0 EHADLO Brc1cccc2ccc(NCCCn3cc[nH+]c3)nc12 ZINC000091424822 1032694540 /nfs/dbraw/zinc/69/45/40/1032694540.db2.gz JHEOUDOGZWIIHM-UHFFFAOYSA-N 1 2 331.217 3.696 20 0 EHADLO Cn1ccnc1C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000340410189 1017495496 /nfs/dbraw/zinc/49/54/96/1017495496.db2.gz ULEJGTXNSOGCCB-GOSISDBHSA-N 1 2 343.377 3.901 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)s1 ZINC000655744978 1017520927 /nfs/dbraw/zinc/52/09/27/1017520927.db2.gz XPEABOXUMDLGII-UHFFFAOYSA-N 1 2 326.469 3.798 20 0 EHADLO O[C@H](C[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179801 1017537409 /nfs/dbraw/zinc/53/74/09/1017537409.db2.gz CNWNDVJSEOTRND-STQMWFEESA-N 1 2 325.733 3.524 20 0 EHADLO O[C@H](C[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000549179801 1017537418 /nfs/dbraw/zinc/53/74/18/1017537418.db2.gz CNWNDVJSEOTRND-STQMWFEESA-N 1 2 325.733 3.524 20 0 EHADLO c1cn(-c2ccccc2CNc2ccnc(-c3ccccc3)n2)c[nH+]1 ZINC000091506200 1032707210 /nfs/dbraw/zinc/70/72/10/1032707210.db2.gz KEYMTVCJVPHOMP-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cc1ccc(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c(Cl)n1 ZINC000377265941 1017554653 /nfs/dbraw/zinc/55/46/53/1017554653.db2.gz OQBLKAJVOQGAMG-UHFFFAOYSA-N 1 2 340.814 3.923 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655793796 1017626102 /nfs/dbraw/zinc/62/61/02/1017626102.db2.gz CVAMLJJGUWMUFX-IMJJTQAJSA-N 1 2 346.862 3.736 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCC2)cc1 ZINC000655795207 1017627544 /nfs/dbraw/zinc/62/75/44/1017627544.db2.gz ZTVQEQIPGLWHII-AEFFLSMTSA-N 1 2 326.444 3.596 20 0 EHADLO Clc1ccc([C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CC2)cc1 ZINC000655797810 1017636192 /nfs/dbraw/zinc/63/61/92/1017636192.db2.gz QLXHXRHXYVDKHP-ZBFHGGJFSA-N 1 2 332.835 3.551 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528741013 1032715792 /nfs/dbraw/zinc/71/57/92/1032715792.db2.gz LQFWWMHJAOSEFZ-UHFFFAOYSA-N 1 2 341.904 3.562 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528741013 1032715803 /nfs/dbraw/zinc/71/58/03/1032715803.db2.gz LQFWWMHJAOSEFZ-UHFFFAOYSA-N 1 2 341.904 3.562 20 0 EHADLO C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000892912534 1017701718 /nfs/dbraw/zinc/70/17/18/1017701718.db2.gz VCZWBFIHMIDIFY-SWLSCSKDSA-N 1 2 343.818 3.674 20 0 EHADLO Cc1cc(N[C@H](c2nnc3ccccn32)C(C)C)nc(C2CCC2)[nH+]1 ZINC000892913500 1017712498 /nfs/dbraw/zinc/71/24/98/1017712498.db2.gz DEWZBCYMKLGALD-KRWDZBQOSA-N 1 2 336.443 3.904 20 0 EHADLO CCCCc1ccc(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001266516108 1017737728 /nfs/dbraw/zinc/73/77/28/1017737728.db2.gz RKOLYGNTDNSXNZ-UHFFFAOYSA-N 1 2 325.456 3.980 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000340439377 1017810885 /nfs/dbraw/zinc/81/08/85/1017810885.db2.gz KKFWAMGDDMUMKA-IBGZPJMESA-N 1 2 325.387 3.959 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000547977752 1017880765 /nfs/dbraw/zinc/88/07/65/1017880765.db2.gz GXPAFKYJBSGBPL-RNCFNFMXSA-N 1 2 339.365 3.509 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1ccn(C)n1 ZINC000547981455 1017920990 /nfs/dbraw/zinc/92/09/90/1017920990.db2.gz BQGICGLMOXAORY-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO Cc1[nH]c(CNc2cccc3c2CN(c2nccs2)C3)[nH+]c1C ZINC000579972706 1017908200 /nfs/dbraw/zinc/90/82/00/1017908200.db2.gz HHCWTARPBQFJEB-UHFFFAOYSA-N 1 2 325.441 3.615 20 0 EHADLO Cn1nccc1C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377525414 1017941912 /nfs/dbraw/zinc/94/19/12/1017941912.db2.gz PMKJQJWVQIVKIL-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cn1nccc1C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377525414 1017941924 /nfs/dbraw/zinc/94/19/24/1017941924.db2.gz PMKJQJWVQIVKIL-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO CC(C)[C@H]1C[C@@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccccc21 ZINC000683692638 1018038145 /nfs/dbraw/zinc/03/81/45/1018038145.db2.gz JWQKTNSFENYCLS-RTBURBONSA-N 1 2 325.456 3.807 20 0 EHADLO CCn1cc(C[NH2+]Cc2c(Br)ccc(Cl)c2F)cn1 ZINC000893005176 1018131135 /nfs/dbraw/zinc/13/11/35/1018131135.db2.gz PXAMAALGJBFNOJ-UHFFFAOYSA-N 1 2 346.631 3.748 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccncc1F ZINC000340509614 1018182289 /nfs/dbraw/zinc/18/22/89/1018182289.db2.gz SKPQESFKLLMMIQ-YGRLFVJLSA-N 1 2 344.308 3.504 20 0 EHADLO O=C(CSc1ccc(F)c(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514571 1018208703 /nfs/dbraw/zinc/20/87/03/1018208703.db2.gz ACDDHQVWORGNMK-UHFFFAOYSA-N 1 2 345.374 3.881 20 0 EHADLO CC[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412640221 1018237096 /nfs/dbraw/zinc/23/70/96/1018237096.db2.gz UXWANQBQASFPLM-GFCCVEGCSA-N 1 2 325.334 3.581 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3COc4c3ccc(C)c4C)ccc2[nH+]1 ZINC000606569195 1032751485 /nfs/dbraw/zinc/75/14/85/1032751485.db2.gz DAXUMHYJEWULSK-INIZCTEOSA-N 1 2 336.395 3.515 20 0 EHADLO O=C(NCCC1=CCCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047653726 1018255399 /nfs/dbraw/zinc/25/53/99/1018255399.db2.gz SKLZDPLQHOKRGK-UHFFFAOYSA-N 1 2 338.455 3.621 20 0 EHADLO Cc1cn2cc(NC(=O)NC(C)(C)c3nc(C)c(C)s3)ccc2[nH+]1 ZINC000606569078 1032752377 /nfs/dbraw/zinc/75/23/77/1032752377.db2.gz SZPVAVPUVJJNET-UHFFFAOYSA-N 1 2 343.456 3.773 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606540757 1032757352 /nfs/dbraw/zinc/75/73/52/1032757352.db2.gz GAULKPOXMWAYGY-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606540757 1032757366 /nfs/dbraw/zinc/75/73/66/1032757366.db2.gz GAULKPOXMWAYGY-OAHLLOKOSA-N 1 2 326.415 3.798 20 0 EHADLO CC(C)CCc1noc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000548021965 1018294616 /nfs/dbraw/zinc/29/46/16/1018294616.db2.gz RFUWSUKPRQUAKK-INIZCTEOSA-N 1 2 343.475 3.597 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656035517 1018300934 /nfs/dbraw/zinc/30/09/34/1018300934.db2.gz KLGABARRUHGTHC-SFHVURJKSA-N 1 2 348.450 3.976 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656035517 1018300946 /nfs/dbraw/zinc/30/09/46/1018300946.db2.gz KLGABARRUHGTHC-SFHVURJKSA-N 1 2 348.450 3.976 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001143499328 1018312565 /nfs/dbraw/zinc/31/25/65/1018312565.db2.gz IOGRHZBNYITOEE-UHFFFAOYSA-N 1 2 349.434 3.637 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000042863070 1018372409 /nfs/dbraw/zinc/37/24/09/1018372409.db2.gz MIWCHMSPMWWRAY-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000042863070 1018372419 /nfs/dbraw/zinc/37/24/19/1018372419.db2.gz MIWCHMSPMWWRAY-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO COc1cccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1OC ZINC000340559037 1018438592 /nfs/dbraw/zinc/43/85/92/1018438592.db2.gz RLYRBGHUAYRYOY-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO Cc1cccn2c(CNc3cc[nH+]c(OCC(F)(F)F)c3)cnc12 ZINC000340559589 1018448166 /nfs/dbraw/zinc/44/81/66/1018448166.db2.gz ABRRCOBKOXKMKS-UHFFFAOYSA-N 1 2 336.317 3.591 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766150 1032766356 /nfs/dbraw/zinc/76/63/56/1032766356.db2.gz CZJJIJZMIXWJPZ-IINYFYTJSA-N 1 2 346.780 3.704 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000528766150 1032766372 /nfs/dbraw/zinc/76/63/72/1032766372.db2.gz CZJJIJZMIXWJPZ-IINYFYTJSA-N 1 2 346.780 3.704 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000893103408 1018499770 /nfs/dbraw/zinc/49/97/70/1018499770.db2.gz HIQYKFJCAFQTNB-HNNXBMFYSA-N 1 2 338.459 3.512 20 0 EHADLO Clc1ccc2cccnc2c1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000683776499 1018501291 /nfs/dbraw/zinc/50/12/91/1018501291.db2.gz QQEQXFLTUZEHKB-UHFFFAOYSA-N 1 2 349.825 3.759 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@H+](C[C@@H]3CCC=CO3)CCO2)c1 ZINC000377881965 1018509443 /nfs/dbraw/zinc/50/94/43/1018509443.db2.gz BJBVLFZQLLQPCI-JKSUJKDBSA-N 1 2 343.345 3.651 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC=CO3)CCO2)c1 ZINC000377881965 1018509457 /nfs/dbraw/zinc/50/94/57/1018509457.db2.gz BJBVLFZQLLQPCI-JKSUJKDBSA-N 1 2 343.345 3.651 20 0 EHADLO Cc1cc(N2CCC[C@@H]2CC(=O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000893103967 1018509897 /nfs/dbraw/zinc/50/98/97/1018509897.db2.gz WQNVJDKNBXGDEN-OAHLLOKOSA-N 1 2 325.412 3.887 20 0 EHADLO CC(C)(NC(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000606642207 1032774568 /nfs/dbraw/zinc/77/45/68/1032774568.db2.gz QLWOYHDKPKQBMR-UHFFFAOYSA-N 1 2 346.862 3.772 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893132158 1018587858 /nfs/dbraw/zinc/58/78/58/1018587858.db2.gz LMZDCWLGKHMGLP-LBPRGKRZSA-N 1 2 328.359 3.948 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000340583734 1018588686 /nfs/dbraw/zinc/58/86/86/1018588686.db2.gz JXZWXIOFHVBJTF-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000460810441 1018633170 /nfs/dbraw/zinc/63/31/70/1018633170.db2.gz RAFLEKFQMVJNLQ-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO COc1cc(Nc2cc(Br)c(F)cc2N)cc(C)[nH+]1 ZINC001210780921 1018682985 /nfs/dbraw/zinc/68/29/85/1018682985.db2.gz KKXQUGVYCMAUFB-UHFFFAOYSA-N 1 2 326.169 3.626 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000528768165 1032778086 /nfs/dbraw/zinc/77/80/86/1032778086.db2.gz NUAWETDHIGGHPD-SNVBAGLBSA-N 1 2 347.203 3.507 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000528768165 1032778103 /nfs/dbraw/zinc/77/81/03/1032778103.db2.gz NUAWETDHIGGHPD-SNVBAGLBSA-N 1 2 347.203 3.507 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)sc1Cc1ccccc1 ZINC000683825395 1018713042 /nfs/dbraw/zinc/71/30/42/1018713042.db2.gz DXZYWOSJDVJKMS-INIZCTEOSA-N 1 2 341.480 3.608 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)sc1Cc1ccccc1 ZINC000683825395 1018713055 /nfs/dbraw/zinc/71/30/55/1018713055.db2.gz DXZYWOSJDVJKMS-INIZCTEOSA-N 1 2 341.480 3.608 20 0 EHADLO CSc1nc(NCCc2cn3cccc(C)c3[nH+]2)cc(C(F)F)n1 ZINC000656135000 1018726706 /nfs/dbraw/zinc/72/67/06/1018726706.db2.gz PJPTUCJDNZPJIA-UHFFFAOYSA-N 1 2 349.410 3.747 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cc(COC(C)(C)C)on1 ZINC000656164556 1018852211 /nfs/dbraw/zinc/85/22/11/1018852211.db2.gz GPPBSODULPURTP-UHFFFAOYSA-N 1 2 346.431 3.586 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000124613852 1018869346 /nfs/dbraw/zinc/86/93/46/1018869346.db2.gz YETCNSMMFPYXCY-KGLIPLIRSA-N 1 2 339.361 3.871 20 0 EHADLO Cc1cccc(N2CCC[N@H+](Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC001204529953 1018873038 /nfs/dbraw/zinc/87/30/38/1018873038.db2.gz SDYIGXFDCDNYKQ-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO Cc1cccc(N2CCC[N@@H+](Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC001204529953 1018873057 /nfs/dbraw/zinc/87/30/57/1018873057.db2.gz SDYIGXFDCDNYKQ-UHFFFAOYSA-N 1 2 335.373 3.520 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c[nH]nc21)c1nc(-c2cccc(F)c2)no1 ZINC000429992092 1018917200 /nfs/dbraw/zinc/91/72/00/1018917200.db2.gz NWAURNQPCRDPMM-LLVKDONJSA-N 1 2 337.358 3.603 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccoc1 ZINC000345090891 1018937196 /nfs/dbraw/zinc/93/71/96/1018937196.db2.gz MAUUVUGGCPAFIJ-IBGZPJMESA-N 1 2 340.448 3.679 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccoc1 ZINC000345090891 1018937210 /nfs/dbraw/zinc/93/72/10/1018937210.db2.gz MAUUVUGGCPAFIJ-IBGZPJMESA-N 1 2 340.448 3.679 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000119276486 1032798586 /nfs/dbraw/zinc/79/85/86/1032798586.db2.gz URZLCXPSGVIYMX-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO CCc1noc(C)c1C[N@H+]1CCc2cccc(Br)c2C1 ZINC000119276486 1032798607 /nfs/dbraw/zinc/79/86/07/1032798607.db2.gz URZLCXPSGVIYMX-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCCOCC1 ZINC000344190339 1019003143 /nfs/dbraw/zinc/00/31/43/1019003143.db2.gz QPSRTFAGJSAJOO-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCCOCC1 ZINC000344190339 1019003157 /nfs/dbraw/zinc/00/31/57/1019003157.db2.gz QPSRTFAGJSAJOO-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000513127307 1019039232 /nfs/dbraw/zinc/03/92/32/1019039232.db2.gz GFEFRBMMUARKSQ-STTHAQSSSA-N 1 2 331.456 3.652 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000513127307 1019039250 /nfs/dbraw/zinc/03/92/50/1019039250.db2.gz GFEFRBMMUARKSQ-STTHAQSSSA-N 1 2 331.456 3.652 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000926093153 1019050287 /nfs/dbraw/zinc/05/02/87/1019050287.db2.gz MPQCLTXACRWXFZ-MDYRTPRTSA-N 1 2 330.472 3.529 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000513133346 1019054230 /nfs/dbraw/zinc/05/42/30/1019054230.db2.gz GXALHUZUDNBBIX-LJQANCHMSA-N 1 2 342.370 3.535 20 0 EHADLO O=C(CCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC001143555689 1019075999 /nfs/dbraw/zinc/07/59/99/1019075999.db2.gz ZGZVDZNEYZIVBL-UHFFFAOYSA-N 1 2 348.406 3.620 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000513145782 1019097409 /nfs/dbraw/zinc/09/74/09/1019097409.db2.gz YFAQGLDAVORPDW-UHFFFAOYSA-N 1 2 338.432 3.910 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000513145782 1019097424 /nfs/dbraw/zinc/09/74/24/1019097424.db2.gz YFAQGLDAVORPDW-UHFFFAOYSA-N 1 2 338.432 3.910 20 0 EHADLO CO[C@@H](CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)[C@@H]1CCOC1 ZINC000664158568 1019105826 /nfs/dbraw/zinc/10/58/26/1019105826.db2.gz VOKQCWAYPXCZOP-DOMZBBRYSA-N 1 2 340.345 3.717 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000729048235 1019167050 /nfs/dbraw/zinc/16/70/50/1019167050.db2.gz DBCDWSXKYYKMNF-ZWKOTPCHSA-N 1 2 340.471 3.886 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001167386779 1019216468 /nfs/dbraw/zinc/21/64/68/1019216468.db2.gz JMAFBTCEXFEJBW-GOSISDBHSA-N 1 2 330.378 3.592 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001167386779 1019216482 /nfs/dbraw/zinc/21/64/82/1019216482.db2.gz JMAFBTCEXFEJBW-GOSISDBHSA-N 1 2 330.378 3.592 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(-c2cccnc2)cc1 ZINC000548091885 1019270890 /nfs/dbraw/zinc/27/08/90/1019270890.db2.gz HUFCJODKFBEKEA-KSSFIOAISA-N 1 2 346.434 3.769 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894211617 1019340632 /nfs/dbraw/zinc/34/06/32/1019340632.db2.gz QRNZTDUHUIUSFV-ZDUSSCGKSA-N 1 2 334.441 3.569 20 0 EHADLO C[C@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078336793 1019355979 /nfs/dbraw/zinc/35/59/79/1019355979.db2.gz BQMKIYWQJDEWRC-CGTJXYLNSA-N 1 2 338.455 3.765 20 0 EHADLO C(=C\C1CCCC1)\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000580444751 1019376260 /nfs/dbraw/zinc/37/62/60/1019376260.db2.gz UNTXDGCZBUKZMA-KTKRTIGZSA-N 1 2 339.439 3.772 20 0 EHADLO COc1cccc2c(N[C@H]3CCO[C@@]4(CCSC4)C3)cc[nH+]c12 ZINC000275885785 1019386608 /nfs/dbraw/zinc/38/66/08/1019386608.db2.gz XEFDGNOYRAHGKF-UGSOOPFHSA-N 1 2 330.453 3.710 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000291751275 1019585159 /nfs/dbraw/zinc/58/51/59/1019585159.db2.gz CZIXXYCUYFWFFK-GOSISDBHSA-N 1 2 326.444 3.541 20 0 EHADLO CC(C)c1cc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000433823365 1019663554 /nfs/dbraw/zinc/66/35/54/1019663554.db2.gz WROOBCUSLCLOQK-SWLSCSKDSA-N 1 2 345.409 3.863 20 0 EHADLO C[C@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)c2ncnn21 ZINC000664185255 1019696230 /nfs/dbraw/zinc/69/62/30/1019696230.db2.gz BGVTYRDDRLAPOC-ZANVPECISA-N 1 2 333.317 3.963 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000656262436 1019761477 /nfs/dbraw/zinc/76/14/77/1019761477.db2.gz VJBAJABFZRWIRG-UHFFFAOYSA-N 1 2 336.414 3.879 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000656262436 1019761492 /nfs/dbraw/zinc/76/14/92/1019761492.db2.gz VJBAJABFZRWIRG-UHFFFAOYSA-N 1 2 336.414 3.879 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000430497738 1019780928 /nfs/dbraw/zinc/78/09/28/1019780928.db2.gz UWRBSCJYQCCOOS-GQCTYLIASA-N 1 2 343.446 3.927 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c(F)c1F ZINC000430018908 1019781566 /nfs/dbraw/zinc/78/15/66/1019781566.db2.gz DTBXISAUJLOOEE-UHFFFAOYSA-N 1 2 335.304 3.923 20 0 EHADLO CCc1nn(C)c(OC)c1CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000092961886 1032859658 /nfs/dbraw/zinc/85/96/58/1032859658.db2.gz UXQAYUWNZKNKNP-UHFFFAOYSA-N 1 2 331.464 3.640 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000580717749 1019904884 /nfs/dbraw/zinc/90/48/84/1019904884.db2.gz ICKJEZDAQXCWES-QFBILLFUSA-N 1 2 341.455 3.987 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000340744355 1019920216 /nfs/dbraw/zinc/92/02/16/1019920216.db2.gz WOETVQQMIGVWKL-MDZRGWNJSA-N 1 2 328.456 3.621 20 0 EHADLO CC(C)c1nnc([C@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986865 1019956215 /nfs/dbraw/zinc/95/62/15/1019956215.db2.gz INMFACDVPQGMJM-DLBZAZTESA-N 1 2 345.418 3.783 20 0 EHADLO CC(C)c1nnc([C@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986865 1019956219 /nfs/dbraw/zinc/95/62/19/1019956219.db2.gz INMFACDVPQGMJM-DLBZAZTESA-N 1 2 345.418 3.783 20 0 EHADLO c1cn(CCCSCCCCSCCCn2cc[nH+]c2)cn1 ZINC000279994694 1019978130 /nfs/dbraw/zinc/97/81/30/1019978130.db2.gz RLRLYEMHIHTHHG-UHFFFAOYSA-N 1 2 338.546 3.807 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H](C)c1cccs1 ZINC000280067499 1020023790 /nfs/dbraw/zinc/02/37/90/1020023790.db2.gz YWLZQFXTSSHAFH-SNVBAGLBSA-N 1 2 349.406 3.904 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000048124189 1020092461 /nfs/dbraw/zinc/09/24/61/1020092461.db2.gz DUIPXARIVRMTFO-LBPRGKRZSA-N 1 2 336.823 3.536 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000580846120 1020138511 /nfs/dbraw/zinc/13/85/11/1020138511.db2.gz UEYWVRQFAVIDQP-FQEVSTJZSA-N 1 2 327.399 3.839 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000580846120 1020138514 /nfs/dbraw/zinc/13/85/14/1020138514.db2.gz UEYWVRQFAVIDQP-FQEVSTJZSA-N 1 2 327.399 3.839 20 0 EHADLO Cc1ccc2occ(CC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000528828884 1032878613 /nfs/dbraw/zinc/87/86/13/1032878613.db2.gz PBQHNPOAXJCYAC-QAPCUYQASA-N 1 2 337.423 3.590 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000345336603 1020155468 /nfs/dbraw/zinc/15/54/68/1020155468.db2.gz PXONABLOJBKKLX-IRXDYDNUSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000345336602 1020155999 /nfs/dbraw/zinc/15/59/99/1020155999.db2.gz PXONABLOJBKKLX-IAGOWNOFSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(Br)cn2)nc(C2CC2)[nH+]1 ZINC000280192581 1020157356 /nfs/dbraw/zinc/15/73/56/1020157356.db2.gz IXBBGWPHLZBOEP-SNVBAGLBSA-N 1 2 333.233 3.993 20 0 EHADLO Cc1sc2ncnc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1C ZINC000345343728 1020163768 /nfs/dbraw/zinc/16/37/68/1020163768.db2.gz PUHTWTDOZBZLRA-BXUZGUMPSA-N 1 2 327.457 3.592 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C(C)(C)C1CCOCC1 ZINC000280181377 1020171019 /nfs/dbraw/zinc/17/10/19/1020171019.db2.gz ADMGVOZZOPUUOT-UHFFFAOYSA-N 1 2 327.428 3.776 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1csc2c1CCCC2 ZINC000345430782 1020271638 /nfs/dbraw/zinc/27/16/38/1020271638.db2.gz HPOVYKUZBGRZAU-UHFFFAOYSA-N 1 2 341.480 3.552 20 0 EHADLO CCC(C)(C)[C@H]1CCc2nc(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000345432879 1020274665 /nfs/dbraw/zinc/27/46/65/1020274665.db2.gz NRAGGVVZOKBBAE-ZDUSSCGKSA-N 1 2 346.500 3.910 20 0 EHADLO Cc1ccc(OC2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000933024089 1020290045 /nfs/dbraw/zinc/29/00/45/1020290045.db2.gz BRDGZWUUGUCRBT-UHFFFAOYSA-N 1 2 335.407 3.555 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234485 1032890035 /nfs/dbraw/zinc/89/00/35/1032890035.db2.gz GGPDFPVBGLSNKE-HRAATJIYSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234485 1032890046 /nfs/dbraw/zinc/89/00/46/1032890046.db2.gz GGPDFPVBGLSNKE-HRAATJIYSA-N 1 2 337.467 3.650 20 0 EHADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000602438852 1032889822 /nfs/dbraw/zinc/88/98/22/1032889822.db2.gz BNIMUUAAODFCTP-UHFFFAOYSA-N 1 2 347.484 3.602 20 0 EHADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000602438852 1032889837 /nfs/dbraw/zinc/88/98/37/1032889837.db2.gz BNIMUUAAODFCTP-UHFFFAOYSA-N 1 2 347.484 3.602 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480437 1020297131 /nfs/dbraw/zinc/29/71/31/1020297131.db2.gz LPXQATPIESTTGX-IUODEOHRSA-N 1 2 333.819 3.668 20 0 EHADLO CCC(C)(C)[C@@H]1CCc2nc(NC(=O)Cn3cc[nH+]c3)sc2C1 ZINC000345485177 1020311408 /nfs/dbraw/zinc/31/14/08/1020311408.db2.gz FWFIXOOAASZZGO-GFCCVEGCSA-N 1 2 332.473 3.519 20 0 EHADLO Cc1cc(CNc2nc(Cl)nc3c2cnn3C(C)C)cc(C)[nH+]1 ZINC000894239926 1020321235 /nfs/dbraw/zinc/32/12/35/1020321235.db2.gz OYYAYQIVCBIYNG-UHFFFAOYSA-N 1 2 330.823 3.685 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000280365073 1020324297 /nfs/dbraw/zinc/32/42/97/1020324297.db2.gz DBTVJWWULPSUJC-LBPRGKRZSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000280365073 1020324301 /nfs/dbraw/zinc/32/43/01/1020324301.db2.gz DBTVJWWULPSUJC-LBPRGKRZSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992338 1020339952 /nfs/dbraw/zinc/33/99/52/1020339952.db2.gz MHKIUSHSAIEKEM-OYLFLEFRSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992338 1020339959 /nfs/dbraw/zinc/33/99/59/1020339959.db2.gz MHKIUSHSAIEKEM-OYLFLEFRSA-N 1 2 347.455 3.961 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000581039009 1020372015 /nfs/dbraw/zinc/37/20/15/1020372015.db2.gz IRNHAPDFMGTYAV-WOJBJXKFSA-N 1 2 333.472 3.635 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000581039009 1020372023 /nfs/dbraw/zinc/37/20/23/1020372023.db2.gz IRNHAPDFMGTYAV-WOJBJXKFSA-N 1 2 333.472 3.635 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000292149266 1020379719 /nfs/dbraw/zinc/37/97/19/1020379719.db2.gz YRHRUJAETSLDDP-GOSISDBHSA-N 1 2 340.471 3.764 20 0 EHADLO CC1(C)CC[C@@H]2C[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c3cccc1c32 ZINC000345593897 1020381914 /nfs/dbraw/zinc/38/19/14/1020381914.db2.gz UPHNAXZPBXVQFM-SPYBWZPUSA-N 1 2 349.478 3.862 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000345617656 1020388638 /nfs/dbraw/zinc/38/86/38/1020388638.db2.gz YZJICNHHHUPCGX-KRWDZBQOSA-N 1 2 349.434 3.516 20 0 EHADLO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627552 1020402690 /nfs/dbraw/zinc/40/26/90/1020402690.db2.gz PTCWZKBWISHNSO-LPHOPBHVSA-N 1 2 340.492 3.558 20 0 EHADLO C[C@@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627552 1020402697 /nfs/dbraw/zinc/40/26/97/1020402697.db2.gz PTCWZKBWISHNSO-LPHOPBHVSA-N 1 2 340.492 3.558 20 0 EHADLO COC(=O)c1cnc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)s1 ZINC000894242013 1020525009 /nfs/dbraw/zinc/52/50/09/1020525009.db2.gz QOMUQGBCWBKEDZ-UHFFFAOYSA-N 1 2 343.452 3.626 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2)sc1C ZINC000280613675 1020526365 /nfs/dbraw/zinc/52/63/65/1020526365.db2.gz XUXISOCYAVKLBV-OAHLLOKOSA-N 1 2 346.452 3.584 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2)sc1C ZINC000280613675 1020526369 /nfs/dbraw/zinc/52/63/69/1020526369.db2.gz XUXISOCYAVKLBV-OAHLLOKOSA-N 1 2 346.452 3.584 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000280615524 1020526572 /nfs/dbraw/zinc/52/65/72/1020526572.db2.gz ZIQJRVSOLIQBLY-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000280615524 1020526577 /nfs/dbraw/zinc/52/65/77/1020526577.db2.gz ZIQJRVSOLIQBLY-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cc(C)ccc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280656128 1020549700 /nfs/dbraw/zinc/54/97/00/1020549700.db2.gz KPJRSXZEVAZCJM-HNAYVOBHSA-N 1 2 349.471 3.707 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345956420 1020630497 /nfs/dbraw/zinc/63/04/97/1020630497.db2.gz BHHGFYNAMOQSCM-NUJGCVRESA-N 1 2 343.496 3.721 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2ccccc2C1 ZINC000345948580 1020632977 /nfs/dbraw/zinc/63/29/77/1020632977.db2.gz IGKNMLGQNMDMPA-UHFFFAOYSA-N 1 2 331.419 3.520 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)Cc1ccccc1 ZINC000340928198 1020634317 /nfs/dbraw/zinc/63/43/17/1020634317.db2.gz ZHIJTPWUQMPVHM-UHFFFAOYSA-N 1 2 348.450 3.901 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)Cc1ccccc1 ZINC000340928198 1020634326 /nfs/dbraw/zinc/63/43/26/1020634326.db2.gz ZHIJTPWUQMPVHM-UHFFFAOYSA-N 1 2 348.450 3.901 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000501001590 1020640352 /nfs/dbraw/zinc/64/03/52/1020640352.db2.gz LTKUMWWLHJSHJB-KXBFYZLASA-N 1 2 329.415 3.693 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCOc3c(F)cccc32)nc2ccc(Cl)cc21 ZINC000276146939 1020724384 /nfs/dbraw/zinc/72/43/84/1020724384.db2.gz DHEWFDRCRWCSPI-AWEZNQCLSA-N 1 2 345.805 3.979 20 0 EHADLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c(-c2cccs2)n1 ZINC000093948311 1032924846 /nfs/dbraw/zinc/92/48/46/1032924846.db2.gz QMBNXMAMVPYCHK-UHFFFAOYSA-N 1 2 335.436 3.946 20 0 EHADLO Cc1cc(NC(=O)NC2(Cc3cccc(F)c3)CCC2)c(C)c[nH+]1 ZINC000548161197 1020771039 /nfs/dbraw/zinc/77/10/39/1020771039.db2.gz MRQWFZHWUDAGHH-UHFFFAOYSA-N 1 2 327.403 3.546 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000292462136 1020772671 /nfs/dbraw/zinc/77/26/71/1020772671.db2.gz XYAMOUCVHYVTPX-UHFFFAOYSA-N 1 2 346.862 3.728 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341003805 1020820489 /nfs/dbraw/zinc/82/04/89/1020820489.db2.gz RVTKJYYUQDRRCL-LJQANCHMSA-N 1 2 333.435 3.899 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000933264501 1020837068 /nfs/dbraw/zinc/83/70/68/1020837068.db2.gz XUUOHYVHOCOTIX-UHFFFAOYSA-N 1 2 342.443 3.724 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cc1O ZINC000341025846 1020877687 /nfs/dbraw/zinc/87/76/87/1020877687.db2.gz YQFIAHWIMZDSEO-UHFFFAOYSA-N 1 2 345.292 3.728 20 0 EHADLO Cc1cc2c(s1)N(c1cccc3nncn31)c1ccccc1NC2=[NH2+] ZINC001167463137 1020917227 /nfs/dbraw/zinc/91/72/27/1020917227.db2.gz BBKDBXJDPHSONX-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO C[C@H](C(=O)Nc1ccc(SCc2ccccc2)cn1)[NH+]1CC(C)C1 ZINC000581437958 1020917792 /nfs/dbraw/zinc/91/77/92/1020917792.db2.gz BYWGYQGERQBBGT-OAHLLOKOSA-N 1 2 341.480 3.653 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(COCC(F)(F)C(F)F)c2)n1C ZINC000341118891 1020981414 /nfs/dbraw/zinc/98/14/14/1020981414.db2.gz FTDDIXNIKFXCQS-UHFFFAOYSA-N 1 2 345.340 3.758 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)c1nnc2n1CCCCC2 ZINC000276358868 1021094996 /nfs/dbraw/zinc/09/49/96/1021094996.db2.gz MQQAITXITYWKIM-PBHICJAKSA-N 1 2 344.507 3.892 20 0 EHADLO O=C(c1ccc2[nH]ccc2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341247373 1021178870 /nfs/dbraw/zinc/17/88/70/1021178870.db2.gz QBPJLRVAAUKFEQ-UHFFFAOYSA-N 1 2 336.439 3.697 20 0 EHADLO CCOC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001204567860 1021187264 /nfs/dbraw/zinc/18/72/64/1021187264.db2.gz KVKSNQPDECNQKJ-UHFFFAOYSA-N 1 2 331.243 3.704 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(C[S@](=O)C3CCCCC3)c2)n1C ZINC000341256833 1021211473 /nfs/dbraw/zinc/21/14/73/1021211473.db2.gz FRTFMYFSBPMSMM-DEOSSOPVSA-N 1 2 345.512 3.922 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)[nH+]1 ZINC000516249788 1021228899 /nfs/dbraw/zinc/22/88/99/1021228899.db2.gz QEUTYBSFFYGSHZ-BBWFWOEESA-N 1 2 331.460 3.554 20 0 EHADLO CSc1ccc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000341268100 1021240290 /nfs/dbraw/zinc/24/02/90/1021240290.db2.gz CVBZJDQBGYANMV-CYBMUJFWSA-N 1 2 346.525 3.925 20 0 EHADLO CSc1ccc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000341268100 1021240301 /nfs/dbraw/zinc/24/03/01/1021240301.db2.gz CVBZJDQBGYANMV-CYBMUJFWSA-N 1 2 346.525 3.925 20 0 EHADLO Cc1nnc(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)[nH]1 ZINC000507418838 1021248398 /nfs/dbraw/zinc/24/83/98/1021248398.db2.gz BSYILBBTLHVMSV-GOSISDBHSA-N 1 2 344.821 3.827 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000188859428 1021256148 /nfs/dbraw/zinc/25/61/48/1021256148.db2.gz NVZYNZCDKURBKG-MRXNPFEDSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000188859428 1021256160 /nfs/dbraw/zinc/25/61/60/1021256160.db2.gz NVZYNZCDKURBKG-MRXNPFEDSA-N 1 2 339.361 3.875 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCCCCn1cc[nH+]c1 ZINC000518508398 1021256885 /nfs/dbraw/zinc/25/68/85/1021256885.db2.gz BMQLVTSWTOXWRK-CYBMUJFWSA-N 1 2 337.876 3.614 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000507468386 1021281175 /nfs/dbraw/zinc/28/11/75/1021281175.db2.gz GYSSCTANJMUQBG-OAHLLOKOSA-N 1 2 336.439 3.689 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1nccs1 ZINC000134331777 1123516746 /nfs/dbraw/zinc/51/67/46/1123516746.db2.gz NPIYYRIHRCHPNV-LLVKDONJSA-N 1 2 327.222 3.822 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+]Cc2nc(-c3cc(C)ccn3)no2)c1 ZINC000296295308 1021315777 /nfs/dbraw/zinc/31/57/77/1021315777.db2.gz MDARRURCJJLOKX-AWEZNQCLSA-N 1 2 338.411 3.690 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)o1 ZINC000426351111 1021351348 /nfs/dbraw/zinc/35/13/48/1021351348.db2.gz JHCZINZMUNSVTK-NSHDSACASA-N 1 2 336.407 3.943 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000516390496 1021383770 /nfs/dbraw/zinc/38/37/70/1021383770.db2.gz YEAACDITGYUEBM-APWZRJJASA-N 1 2 325.456 3.764 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877280 1021387990 /nfs/dbraw/zinc/38/79/90/1021387990.db2.gz ZXABMKCDKSLTOL-RTBURBONSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877280 1021388003 /nfs/dbraw/zinc/38/80/03/1021388003.db2.gz ZXABMKCDKSLTOL-RTBURBONSA-N 1 2 331.843 3.665 20 0 EHADLO C[N@H+](CCc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1)C1CC1 ZINC000436968329 1021414186 /nfs/dbraw/zinc/41/41/86/1021414186.db2.gz SOPPAYFXCROZGB-UHFFFAOYSA-N 1 2 346.377 3.559 20 0 EHADLO C[N@@H+](CCc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1)C1CC1 ZINC000436968329 1021414194 /nfs/dbraw/zinc/41/41/94/1021414194.db2.gz SOPPAYFXCROZGB-UHFFFAOYSA-N 1 2 346.377 3.559 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c(F)c1 ZINC001143579428 1021416342 /nfs/dbraw/zinc/41/63/42/1021416342.db2.gz NEVPDKXUHRVTJT-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c(F)c1 ZINC001143579428 1021416347 /nfs/dbraw/zinc/41/63/47/1021416347.db2.gz NEVPDKXUHRVTJT-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2OC(F)F)cc1 ZINC000505908148 1021418999 /nfs/dbraw/zinc/41/89/99/1021418999.db2.gz UKOFXRFMVKGEMT-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2OC(F)F)cc1 ZINC000505908148 1021419006 /nfs/dbraw/zinc/41/90/06/1021419006.db2.gz UKOFXRFMVKGEMT-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000507671147 1021426597 /nfs/dbraw/zinc/42/65/97/1021426597.db2.gz DIVUTVBEYZAWED-AWEZNQCLSA-N 1 2 334.385 3.983 20 0 EHADLO CSC[C@@H](C)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425672218 1021442313 /nfs/dbraw/zinc/44/23/13/1021442313.db2.gz JUGNMNCRYSBFIZ-CYBMUJFWSA-N 1 2 344.484 3.759 20 0 EHADLO CSCCN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425669833 1021450411 /nfs/dbraw/zinc/45/04/11/1021450411.db2.gz DHDMWFVZHZRWRS-UHFFFAOYSA-N 1 2 344.484 3.713 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cc1 ZINC000276478298 1021457049 /nfs/dbraw/zinc/45/70/49/1021457049.db2.gz DQEHWWNKWNUSHG-UHFFFAOYSA-N 1 2 339.483 3.533 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000305883153 1021472428 /nfs/dbraw/zinc/47/24/28/1021472428.db2.gz FEFCHEDWNOIYHF-UHFFFAOYSA-N 1 2 330.432 3.540 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480075 1021487197 /nfs/dbraw/zinc/48/71/97/1021487197.db2.gz BWKULRPASAQHMC-NEPJUHHUSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480075 1021487202 /nfs/dbraw/zinc/48/72/02/1021487202.db2.gz BWKULRPASAQHMC-NEPJUHHUSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000288446447 1021496065 /nfs/dbraw/zinc/49/60/65/1021496065.db2.gz LKBWVSYKSTYGKA-MRXNPFEDSA-N 1 2 337.345 3.629 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc3oc(=O)oc3c1)CC2 ZINC000894866515 1021527272 /nfs/dbraw/zinc/52/72/72/1021527272.db2.gz UJELZEXICWTFRL-UHFFFAOYSA-N 1 2 345.782 3.606 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc3oc(=O)oc3c1)CC2 ZINC000894866515 1021527285 /nfs/dbraw/zinc/52/72/85/1021527285.db2.gz UJELZEXICWTFRL-UHFFFAOYSA-N 1 2 345.782 3.606 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000139654098 1032987939 /nfs/dbraw/zinc/98/79/39/1032987939.db2.gz HJFYUNJJTQDMSM-CQSZACIVSA-N 1 2 336.382 3.760 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528873945 1032990387 /nfs/dbraw/zinc/99/03/87/1032990387.db2.gz DQZDWMOCJMXZTF-GOSISDBHSA-N 1 2 344.842 3.957 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528873945 1032990393 /nfs/dbraw/zinc/99/03/93/1032990393.db2.gz DQZDWMOCJMXZTF-GOSISDBHSA-N 1 2 344.842 3.957 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000518828780 1021597860 /nfs/dbraw/zinc/59/78/60/1021597860.db2.gz QMQWWUSZPNIGLH-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000518828780 1021597880 /nfs/dbraw/zinc/59/78/80/1021597880.db2.gz QMQWWUSZPNIGLH-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2cc3cnccc3o2)[C@H]1C(=O)OC(C)(C)C ZINC000593638886 1032995448 /nfs/dbraw/zinc/99/54/48/1032995448.db2.gz OUCWIBGGCWEYBV-SUMWQHHRSA-N 1 2 330.428 3.770 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)[C@H]1C(=O)OC(C)(C)C ZINC000593638886 1032995461 /nfs/dbraw/zinc/99/54/61/1032995461.db2.gz OUCWIBGGCWEYBV-SUMWQHHRSA-N 1 2 330.428 3.770 20 0 EHADLO Cc1cc[nH]c1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437186396 1021630856 /nfs/dbraw/zinc/63/08/56/1021630856.db2.gz VLACNFWDGOMIDG-UHFFFAOYSA-N 1 2 342.830 3.516 20 0 EHADLO CCC(CC)[C@@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1cccs1 ZINC000440596791 1021634705 /nfs/dbraw/zinc/63/47/05/1021634705.db2.gz RJQGPNMGAUDZJY-CYBMUJFWSA-N 1 2 347.410 3.564 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncnn1C)c1cc2cc(Br)ccc2o1 ZINC000276533018 1021644921 /nfs/dbraw/zinc/64/49/21/1021644921.db2.gz CWOLTSYGZVCGNC-UWVGGRQHSA-N 1 2 349.232 3.736 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000426475668 1021665871 /nfs/dbraw/zinc/66/58/71/1021665871.db2.gz YXRSBJNZVTYIEM-IUODEOHRSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000426475668 1021665874 /nfs/dbraw/zinc/66/58/74/1021665874.db2.gz YXRSBJNZVTYIEM-IUODEOHRSA-N 1 2 337.261 3.570 20 0 EHADLO Clc1cc(Br)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000684414501 1021677769 /nfs/dbraw/zinc/67/77/69/1021677769.db2.gz KSEHTZAVSXFGJE-LLVKDONJSA-N 1 2 330.653 3.571 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(OCc3ccccc3)ncn1)CCC2 ZINC000518930601 1021697184 /nfs/dbraw/zinc/69/71/84/1021697184.db2.gz ZDPGRPUTTUWHQA-QGZVFWFLSA-N 1 2 349.438 3.550 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000440714707 1021736272 /nfs/dbraw/zinc/73/62/72/1021736272.db2.gz QJTLSQCBBYJZHF-HOCLYGCPSA-N 1 2 348.516 3.925 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000440716326 1021736322 /nfs/dbraw/zinc/73/63/22/1021736322.db2.gz MRUBVTATSDOHIS-APWZRJJASA-N 1 2 335.451 3.514 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3Cc4ccccc4C[C@H]3C(N)=O)o2)cc1 ZINC000506035220 1021747704 /nfs/dbraw/zinc/74/77/04/1021747704.db2.gz NTOUVFNUPUBJTG-FQEVSTJZSA-N 1 2 346.430 3.667 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3Cc4ccccc4C[C@H]3C(N)=O)o2)cc1 ZINC000506035220 1021747716 /nfs/dbraw/zinc/74/77/16/1021747716.db2.gz NTOUVFNUPUBJTG-FQEVSTJZSA-N 1 2 346.430 3.667 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000140569308 1033007110 /nfs/dbraw/zinc/00/71/10/1033007110.db2.gz ZEZIFVBUNLREMN-INIZCTEOSA-N 1 2 345.512 3.750 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1Cc2ccc(F)cc21 ZINC000684421739 1021767626 /nfs/dbraw/zinc/76/76/26/1021767626.db2.gz IGIKBPLXZPZFIM-OAHLLOKOSA-N 1 2 341.773 3.943 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCCC23CC3)c(C)c1 ZINC000528882157 1033003349 /nfs/dbraw/zinc/00/33/49/1033003349.db2.gz NJCNAGLXWQDDMO-RBUKOAKNSA-N 1 2 337.467 3.938 20 0 EHADLO FC(F)(F)c1cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)[nH]n1 ZINC000440804578 1021797780 /nfs/dbraw/zinc/79/77/80/1021797780.db2.gz COHNXTANZIGPEG-UHFFFAOYSA-N 1 2 346.765 3.981 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc5c(c4)C[C@@H](C)O5)n3)[nH+]c12 ZINC000664776553 1021839819 /nfs/dbraw/zinc/83/98/19/1021839819.db2.gz CXZWHYPHNXPIMN-CYBMUJFWSA-N 1 2 346.390 3.607 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000440902526 1021857028 /nfs/dbraw/zinc/85/70/28/1021857028.db2.gz IYAUTNMEHKTSHL-AWEZNQCLSA-N 1 2 328.412 3.842 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000440902526 1021857042 /nfs/dbraw/zinc/85/70/42/1021857042.db2.gz IYAUTNMEHKTSHL-AWEZNQCLSA-N 1 2 328.412 3.842 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCCCO1 ZINC000516930361 1021865283 /nfs/dbraw/zinc/86/52/83/1021865283.db2.gz MKJXPLPJOJCLPC-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO Cc1cccn2cc(Cc3noc(C(C)(C)CC(F)(F)F)n3)[nH+]c12 ZINC000664778318 1021875506 /nfs/dbraw/zinc/87/55/06/1021875506.db2.gz ZLQDDDAUGDAEOL-UHFFFAOYSA-N 1 2 338.333 3.847 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccccc3)C3CCC3)[nH+]c12 ZINC000519127620 1021880859 /nfs/dbraw/zinc/88/08/59/1021880859.db2.gz JIHMDEBAMRQUQT-HXUWFJFHSA-N 1 2 333.435 3.843 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(Br)o1)c1cccc(Cl)c1F ZINC000341441422 1021903767 /nfs/dbraw/zinc/90/37/67/1021903767.db2.gz SFWSHNXFIQZMSC-NSHDSACASA-N 1 2 348.599 3.658 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cnn(-c2ccccn2)c1C)c1ccc(C)o1 ZINC000156397321 1021920520 /nfs/dbraw/zinc/92/05/20/1021920520.db2.gz UZRFKLGIDWTSSF-RHSMWYFYSA-N 1 2 340.427 3.515 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441022559 1021935778 /nfs/dbraw/zinc/93/57/78/1021935778.db2.gz CXWZLJHNIDCIPZ-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441022559 1021935788 /nfs/dbraw/zinc/93/57/88/1021935788.db2.gz CXWZLJHNIDCIPZ-ZDUSSCGKSA-N 1 2 346.833 3.542 20 0 EHADLO CCc1nnc(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)s1 ZINC000517010740 1021937641 /nfs/dbraw/zinc/93/76/41/1021937641.db2.gz ISWVTGBIDFONDR-UHFFFAOYSA-N 1 2 338.358 3.702 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441059705 1021950798 /nfs/dbraw/zinc/95/07/98/1021950798.db2.gz UIWXICPRWRCVJJ-JKSUJKDBSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441059705 1021950803 /nfs/dbraw/zinc/95/08/03/1021950803.db2.gz UIWXICPRWRCVJJ-JKSUJKDBSA-N 1 2 340.442 3.758 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437588628 1021979494 /nfs/dbraw/zinc/97/94/94/1021979494.db2.gz IVFULEODVYUWTC-UHFFFAOYSA-N 1 2 339.414 3.638 20 0 EHADLO CCC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1c(F)cccc1Cl ZINC000520172750 1021986286 /nfs/dbraw/zinc/98/62/86/1021986286.db2.gz XRCUFPKGZZJXSQ-UHFFFAOYSA-N 1 2 334.822 3.990 20 0 EHADLO CCC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1c(F)cccc1Cl ZINC000520172750 1021986299 /nfs/dbraw/zinc/98/62/99/1021986299.db2.gz XRCUFPKGZZJXSQ-UHFFFAOYSA-N 1 2 334.822 3.990 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)oc21 ZINC000139957284 1033021391 /nfs/dbraw/zinc/02/13/91/1033021391.db2.gz QICGRYZSUIKNCX-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCOC1 ZINC000437619396 1022006779 /nfs/dbraw/zinc/00/67/79/1022006779.db2.gz IAFANAJRGXHTEA-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCOC1 ZINC000437619396 1022006788 /nfs/dbraw/zinc/00/67/88/1022006788.db2.gz IAFANAJRGXHTEA-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nccc(C)n2)ccc1OCC(C)C ZINC000341480264 1022032383 /nfs/dbraw/zinc/03/23/83/1022032383.db2.gz ZPXYIZJKXLITAM-OAHLLOKOSA-N 1 2 329.444 3.679 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)on1 ZINC000517191506 1022117938 /nfs/dbraw/zinc/11/79/38/1022117938.db2.gz PNEAMRWQVYSZKI-AWEZNQCLSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)on1 ZINC000517191506 1022117942 /nfs/dbraw/zinc/11/79/42/1022117942.db2.gz PNEAMRWQVYSZKI-AWEZNQCLSA-N 1 2 345.418 3.539 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(SC(F)F)c1 ZINC000178198947 1022125511 /nfs/dbraw/zinc/12/55/11/1022125511.db2.gz FSYPRKNBHGJJDZ-UHFFFAOYSA-N 1 2 348.378 3.971 20 0 EHADLO CC[C@](C)(NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000598250114 1033031525 /nfs/dbraw/zinc/03/15/25/1033031525.db2.gz LBBZJTTXZTYDAG-SFHVURJKSA-N 1 2 331.485 3.571 20 0 EHADLO COc1ccc(Cl)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000141401015 1033032227 /nfs/dbraw/zinc/03/22/27/1033032227.db2.gz HPZDDJHDBYAROR-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO CNC(=O)Nc1cc(NCc2cc(C)[nH+]c3c2CCCC3)ccc1F ZINC000894408823 1022161299 /nfs/dbraw/zinc/16/12/99/1022161299.db2.gz HMHWUQMAZJEASQ-UHFFFAOYSA-N 1 2 342.418 3.771 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000341539853 1022178437 /nfs/dbraw/zinc/17/84/37/1022178437.db2.gz WLEOQRDEXXVZEK-KRWDZBQOSA-N 1 2 333.391 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(O)c(F)c2)c(C)c1 ZINC000891643817 1022196267 /nfs/dbraw/zinc/19/62/67/1022196267.db2.gz DVYPAHHRJFQABA-UHFFFAOYSA-N 1 2 330.403 3.527 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(O)c(F)c2)c(C)c1 ZINC000891643817 1022196270 /nfs/dbraw/zinc/19/62/70/1022196270.db2.gz DVYPAHHRJFQABA-UHFFFAOYSA-N 1 2 330.403 3.527 20 0 EHADLO COc1cc(F)c(F)cc1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC001143402652 1022209475 /nfs/dbraw/zinc/20/94/75/1022209475.db2.gz MHQVUTPQWGZBMP-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3nccc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000894414090 1022220984 /nfs/dbraw/zinc/22/09/84/1022220984.db2.gz VCCXNTQKHGSSTA-IYBDPMFKSA-N 1 2 348.450 3.856 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)co1 ZINC000647971187 1022222885 /nfs/dbraw/zinc/22/28/85/1022222885.db2.gz XRGMBFQKKSUWIO-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)co1 ZINC000647971187 1022222897 /nfs/dbraw/zinc/22/28/97/1022222897.db2.gz XRGMBFQKKSUWIO-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO COc1cc(F)c(F)cc1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001143402984 1022230303 /nfs/dbraw/zinc/23/03/03/1022230303.db2.gz SENFHKDFSVLASY-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CC(C)[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159044 1022242949 /nfs/dbraw/zinc/24/29/49/1022242949.db2.gz DQENTMXNOSZMPC-WMLDXEAASA-N 1 2 348.878 3.664 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CC2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000550343832 1022288284 /nfs/dbraw/zinc/28/82/84/1022288284.db2.gz HGTNXWUQFWBQSW-HNNXBMFYSA-N 1 2 330.472 3.845 20 0 EHADLO Fc1c(Cl)cc(Br)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001141596654 1022302991 /nfs/dbraw/zinc/30/29/91/1022302991.db2.gz RSLPQDLRNKXHCZ-CQSZACIVSA-N 1 2 348.643 3.854 20 0 EHADLO Fc1c(Cl)cc(Br)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001141596654 1022303005 /nfs/dbraw/zinc/30/30/05/1022303005.db2.gz RSLPQDLRNKXHCZ-CQSZACIVSA-N 1 2 348.643 3.854 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1cnn(CCF)c1)Cc1cccnc1 ZINC000894458163 1022312621 /nfs/dbraw/zinc/31/26/21/1022312621.db2.gz NAVIYECANFVDIP-UHFFFAOYSA-N 1 2 338.430 3.758 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1cnn(CCF)c1)Cc1cccnc1 ZINC000894458163 1022312636 /nfs/dbraw/zinc/31/26/36/1022312636.db2.gz NAVIYECANFVDIP-UHFFFAOYSA-N 1 2 338.430 3.758 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)nc1 ZINC000341561043 1022327672 /nfs/dbraw/zinc/32/76/72/1022327672.db2.gz JLOMGFNBJKFMCB-OAHLLOKOSA-N 1 2 335.860 3.698 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000894482644 1022357751 /nfs/dbraw/zinc/35/77/51/1022357751.db2.gz DGVZVKWAPHDOGE-CQSZACIVSA-N 1 2 331.489 3.873 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000894482644 1022357766 /nfs/dbraw/zinc/35/77/66/1022357766.db2.gz DGVZVKWAPHDOGE-CQSZACIVSA-N 1 2 331.489 3.873 20 0 EHADLO CN(C)C(=O)c1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1F ZINC001211851863 1022400296 /nfs/dbraw/zinc/40/02/96/1022400296.db2.gz SEGFFLOPELNAFW-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000472325352 1033054555 /nfs/dbraw/zinc/05/45/55/1033054555.db2.gz HZLNBRYOVHZUNJ-ZBEGNZNMSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000472325352 1033054574 /nfs/dbraw/zinc/05/45/74/1033054574.db2.gz HZLNBRYOVHZUNJ-ZBEGNZNMSA-N 1 2 333.432 3.612 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1F ZINC001211844195 1022442651 /nfs/dbraw/zinc/44/26/51/1022442651.db2.gz MVJVXSUVTVCNFR-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000647951617 1022461021 /nfs/dbraw/zinc/46/10/21/1022461021.db2.gz LGXFCBNILSIHCU-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000647951617 1022461027 /nfs/dbraw/zinc/46/10/27/1022461027.db2.gz LGXFCBNILSIHCU-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@H+](C)CCn2cccn2)cs1 ZINC000111282894 1022486326 /nfs/dbraw/zinc/48/63/26/1022486326.db2.gz KGZCBUZHUHCGRP-UHFFFAOYSA-N 1 2 327.457 3.524 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@@H+](C)CCn2cccn2)cs1 ZINC000111282894 1022486338 /nfs/dbraw/zinc/48/63/38/1022486338.db2.gz KGZCBUZHUHCGRP-UHFFFAOYSA-N 1 2 327.457 3.524 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172966043 1033059177 /nfs/dbraw/zinc/05/91/77/1033059177.db2.gz AYCQSXSHKJQATJ-BLLLJJGKSA-N 1 2 334.464 3.922 20 0 EHADLO CCn1c(C)nn(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172966043 1033059195 /nfs/dbraw/zinc/05/91/95/1033059195.db2.gz AYCQSXSHKJQATJ-BLLLJJGKSA-N 1 2 334.464 3.922 20 0 EHADLO CC(=O)Nc1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000438291668 1022525572 /nfs/dbraw/zinc/52/55/72/1022525572.db2.gz HDOCORXVQCHOMC-UHFFFAOYSA-N 1 2 338.386 3.641 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1(CC)CC ZINC000894556930 1022531430 /nfs/dbraw/zinc/53/14/30/1022531430.db2.gz OSVGEXVIRIHMGA-RBSFLKMASA-N 1 2 339.480 3.629 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1sccc1C ZINC000438297661 1022531504 /nfs/dbraw/zinc/53/15/04/1022531504.db2.gz XWHKNIWOKKGSAK-OAHLLOKOSA-N 1 2 337.872 3.626 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1(CC)CC ZINC000894556931 1022531561 /nfs/dbraw/zinc/53/15/61/1022531561.db2.gz OSVGEXVIRIHMGA-RRFJBIMHSA-N 1 2 339.480 3.629 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000438316054 1022538939 /nfs/dbraw/zinc/53/89/39/1022538939.db2.gz NYVUDUFOLBSRFU-HNAYVOBHSA-N 1 2 329.415 3.521 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(Cl)cc2)c1C ZINC000051335679 1022568754 /nfs/dbraw/zinc/56/87/54/1022568754.db2.gz QDCRCSAZRNTCFF-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2ccccc2)c1C ZINC000051335376 1022574095 /nfs/dbraw/zinc/57/40/95/1022574095.db2.gz ABTVQHMPMJQVPM-OAHLLOKOSA-N 1 2 327.428 3.610 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833766 1022585796 /nfs/dbraw/zinc/58/57/96/1022585796.db2.gz UOSMWAAXKXBOMV-QZOMQWOVSA-N 1 2 329.488 3.548 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833766 1022585799 /nfs/dbraw/zinc/58/57/99/1022585799.db2.gz UOSMWAAXKXBOMV-QZOMQWOVSA-N 1 2 329.488 3.548 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664834636 1022602373 /nfs/dbraw/zinc/60/23/73/1022602373.db2.gz YLONGIQBINONPM-DLBZAZTESA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664834636 1022602386 /nfs/dbraw/zinc/60/23/86/1022602386.db2.gz YLONGIQBINONPM-DLBZAZTESA-N 1 2 329.488 3.502 20 0 EHADLO COc1ccccc1C[N@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000303942969 1022665713 /nfs/dbraw/zinc/66/57/13/1022665713.db2.gz TWOAAKCPJAPIQU-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO COc1ccccc1C[N@@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000303942969 1022665724 /nfs/dbraw/zinc/66/57/24/1022665724.db2.gz TWOAAKCPJAPIQU-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCCS3)n2)O1 ZINC000665008326 1022681243 /nfs/dbraw/zinc/68/12/43/1022681243.db2.gz JATQJLWBJLTJIK-KBMXLJTQSA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCCS3)n2)O1 ZINC000665008326 1022681249 /nfs/dbraw/zinc/68/12/49/1022681249.db2.gz JATQJLWBJLTJIK-KBMXLJTQSA-N 1 2 345.468 3.600 20 0 EHADLO CCCCCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007074 1022684264 /nfs/dbraw/zinc/68/42/64/1022684264.db2.gz IDRDVQDRDIWMRS-WBVHZDCISA-N 1 2 329.444 3.764 20 0 EHADLO CCCCCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007074 1022684273 /nfs/dbraw/zinc/68/42/73/1022684273.db2.gz IDRDVQDRDIWMRS-WBVHZDCISA-N 1 2 329.444 3.764 20 0 EHADLO CC1=C(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665011172 1022707493 /nfs/dbraw/zinc/70/74/93/1022707493.db2.gz NUHPKKOVDRXZKX-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO CC1=C(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665011172 1022707507 /nfs/dbraw/zinc/70/75/07/1022707507.db2.gz NUHPKKOVDRXZKX-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C2CCCC2)n1 ZINC000891786680 1022736564 /nfs/dbraw/zinc/73/65/64/1022736564.db2.gz QMRNVWBYYXNDAQ-IBGZPJMESA-N 1 2 343.471 3.852 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C2CCCC2)n1 ZINC000891786680 1022736573 /nfs/dbraw/zinc/73/65/73/1022736573.db2.gz QMRNVWBYYXNDAQ-IBGZPJMESA-N 1 2 343.471 3.852 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1CCCCCC1 ZINC000101818176 1022739364 /nfs/dbraw/zinc/73/93/64/1022739364.db2.gz MLJHDDDOQHLFPU-UHFFFAOYSA-N 1 2 327.428 3.871 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(F)F ZINC000293235157 1022756528 /nfs/dbraw/zinc/75/65/28/1022756528.db2.gz WFDNPOWBABWRKM-MJBXVCDLSA-N 1 2 340.414 3.526 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(F)F ZINC000293235157 1022756538 /nfs/dbraw/zinc/75/65/38/1022756538.db2.gz WFDNPOWBABWRKM-MJBXVCDLSA-N 1 2 340.414 3.526 20 0 EHADLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cnn1C ZINC000517847056 1022764952 /nfs/dbraw/zinc/76/49/52/1022764952.db2.gz NIIPUUMFGLSVIN-MRXNPFEDSA-N 1 2 342.487 3.619 20 0 EHADLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cnn1C ZINC000517847056 1022764960 /nfs/dbraw/zinc/76/49/60/1022764960.db2.gz NIIPUUMFGLSVIN-MRXNPFEDSA-N 1 2 342.487 3.619 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccoc2C(=O)OC)cc1OC ZINC000341649095 1022796710 /nfs/dbraw/zinc/79/67/10/1022796710.db2.gz ZALMVTDDUXEUDV-CYBMUJFWSA-N 1 2 347.411 3.714 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]4CCC[C@H]43)n2)C1 ZINC000426065383 1022814580 /nfs/dbraw/zinc/81/45/80/1022814580.db2.gz AYEXBHXFBSQLDN-IJEWVQPXSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]4CCC[C@H]43)n2)C1 ZINC000426065383 1022814586 /nfs/dbraw/zinc/81/45/86/1022814586.db2.gz AYEXBHXFBSQLDN-IJEWVQPXSA-N 1 2 348.516 3.781 20 0 EHADLO C=Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000341654240 1022830961 /nfs/dbraw/zinc/83/09/61/1022830961.db2.gz BPNPHDZSWNRDQZ-UHFFFAOYSA-N 1 2 335.451 3.882 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000438596336 1022836675 /nfs/dbraw/zinc/83/66/75/1022836675.db2.gz ILLRSTTXVKUFDS-CQSZACIVSA-N 1 2 325.334 3.579 20 0 EHADLO Cn1ccc(-c2nc(C[NH+]3CC(c4ccc(Cl)cc4)C3)cs2)n1 ZINC000894743710 1022839625 /nfs/dbraw/zinc/83/96/25/1022839625.db2.gz WDKJBGKHFSVENM-UHFFFAOYSA-N 1 2 344.871 3.796 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)n1cc[nH+]c1 ZINC000517944934 1022871730 /nfs/dbraw/zinc/87/17/30/1022871730.db2.gz QOOGZCYMEDCICQ-MLGOLLRUSA-N 1 2 349.381 3.629 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCCC2(CCCCC2)C1 ZINC000476268253 1033088215 /nfs/dbraw/zinc/08/82/15/1033088215.db2.gz GJWAUYIHBAYDBP-UHFFFAOYSA-N 1 2 330.476 3.640 20 0 EHADLO CCn1cnn(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729470839 1022905820 /nfs/dbraw/zinc/90/58/20/1022905820.db2.gz CAGBVUMKEYCLRM-INIZCTEOSA-N 1 2 334.464 3.628 20 0 EHADLO CCn1cnn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729470839 1022905826 /nfs/dbraw/zinc/90/58/26/1022905826.db2.gz CAGBVUMKEYCLRM-INIZCTEOSA-N 1 2 334.464 3.628 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@H]2CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000519577752 1022934285 /nfs/dbraw/zinc/93/42/85/1022934285.db2.gz YLFKZRJMGNGHAC-QAPCUYQASA-N 1 2 343.471 3.534 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000189487596 1023037224 /nfs/dbraw/zinc/03/72/24/1023037224.db2.gz SUDGLGUUZSWEAL-AUUYWEPGSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CO)cc1 ZINC000189487596 1023037233 /nfs/dbraw/zinc/03/72/33/1023037233.db2.gz SUDGLGUUZSWEAL-AUUYWEPGSA-N 1 2 331.843 3.794 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)c1nccn1C ZINC000341696916 1023043438 /nfs/dbraw/zinc/04/34/38/1023043438.db2.gz MFSTXSDERWMBGG-SFHVURJKSA-N 1 2 340.402 3.987 20 0 EHADLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438831355 1023049401 /nfs/dbraw/zinc/04/94/01/1023049401.db2.gz BQSSZHATDQNPFL-DLBZAZTESA-N 1 2 337.448 3.662 20 0 EHADLO O=C(Cc1cccc2cccnc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000343275438 1023066275 /nfs/dbraw/zinc/06/62/75/1023066275.db2.gz KKKSVKRGDZMDFB-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000665058865 1023078246 /nfs/dbraw/zinc/07/82/46/1023078246.db2.gz FXVRXWGAYYHGJR-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000665058865 1023078250 /nfs/dbraw/zinc/07/82/50/1023078250.db2.gz FXVRXWGAYYHGJR-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO CCCCN(CCCC)C(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000520473809 1023088733 /nfs/dbraw/zinc/08/87/33/1023088733.db2.gz MMWZYPFQWZHZOQ-UHFFFAOYSA-N 1 2 329.444 3.680 20 0 EHADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426880197 1023095681 /nfs/dbraw/zinc/09/56/81/1023095681.db2.gz ABXPFFYPZZECAZ-IJDCCNJMSA-N 1 2 339.464 3.879 20 0 EHADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426880197 1023095689 /nfs/dbraw/zinc/09/56/89/1023095689.db2.gz ABXPFFYPZZECAZ-IJDCCNJMSA-N 1 2 339.464 3.879 20 0 EHADLO C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)Cn1cc[nH+]c1 ZINC000426878622 1023096417 /nfs/dbraw/zinc/09/64/17/1023096417.db2.gz JIYOPYBXTMXYAS-ZDUSSCGKSA-N 1 2 342.830 3.598 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000431049187 1023170252 /nfs/dbraw/zinc/17/02/52/1023170252.db2.gz NFVXDONXJLXOEH-VQTJNVASSA-N 1 2 348.450 3.624 20 0 EHADLO Brc1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000077308221 1023176135 /nfs/dbraw/zinc/17/61/35/1023176135.db2.gz PQPQSCDFVPNZQW-ZDUSSCGKSA-N 1 2 332.245 3.783 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCCCC2)c(C)c1 ZINC000441484246 1023177859 /nfs/dbraw/zinc/17/78/59/1023177859.db2.gz YILMTNUSBKQLFS-LJQANCHMSA-N 1 2 325.456 3.938 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000346021639 1023186463 /nfs/dbraw/zinc/18/64/63/1023186463.db2.gz RNAIDVACFPEDAC-UHFFFAOYSA-N 1 2 337.379 3.700 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(C)C ZINC000438983072 1023191055 /nfs/dbraw/zinc/19/10/55/1023191055.db2.gz GRRYNPCAHMGUSM-JSGCOSHPSA-N 1 2 349.276 3.990 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263470 1023216699 /nfs/dbraw/zinc/21/66/99/1023216699.db2.gz PMGZTIAEFKHVJB-XLIONFOSSA-N 1 2 346.515 3.563 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263470 1023216710 /nfs/dbraw/zinc/21/67/10/1023216710.db2.gz PMGZTIAEFKHVJB-XLIONFOSSA-N 1 2 346.515 3.563 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427150419 1023241244 /nfs/dbraw/zinc/24/12/44/1023241244.db2.gz PHWLZVLNYBIKBR-HNNXBMFYSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427150419 1023241254 /nfs/dbraw/zinc/24/12/54/1023241254.db2.gz PHWLZVLNYBIKBR-HNNXBMFYSA-N 1 2 331.416 3.515 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c[nH+]1 ZINC000459074322 1023247883 /nfs/dbraw/zinc/24/78/83/1023247883.db2.gz KCVHWENJBTXVQB-GUYCJALGSA-N 1 2 327.428 3.974 20 0 EHADLO COc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441495592 1023255544 /nfs/dbraw/zinc/25/55/44/1023255544.db2.gz XXTHKEJSEFYJDP-FQEVSTJZSA-N 1 2 349.434 3.680 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(CCc2cccc(F)c2)C2CC2)c[nH+]1 ZINC000459089899 1023275690 /nfs/dbraw/zinc/27/56/90/1023275690.db2.gz YZGHKYZOEYYKCY-UHFFFAOYSA-N 1 2 341.430 3.754 20 0 EHADLO C[C@H](O)C[C@@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000133188447 1023299630 /nfs/dbraw/zinc/29/96/30/1023299630.db2.gz BNGLNNBWLQUHMT-RYUDHWBXSA-N 1 2 335.245 3.737 20 0 EHADLO Fc1cc(CNc2noc(-c3ccccc3)n2)ccc1-n1cc[nH+]c1 ZINC000133235431 1023300184 /nfs/dbraw/zinc/30/01/84/1023300184.db2.gz SJERRMHIYPJSLM-UHFFFAOYSA-N 1 2 335.342 3.674 20 0 EHADLO COc1cc2c(cc1OC)[C@H](Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000684557162 1023305978 /nfs/dbraw/zinc/30/59/78/1023305978.db2.gz SSUAEFHDPVMIFE-GOSISDBHSA-N 1 2 335.407 3.989 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000602758018 1033129318 /nfs/dbraw/zinc/12/93/18/1033129318.db2.gz FCKDPVJQLKISLG-HNNXBMFYSA-N 1 2 334.416 3.796 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000602758018 1033129328 /nfs/dbraw/zinc/12/93/28/1033129328.db2.gz FCKDPVJQLKISLG-HNNXBMFYSA-N 1 2 334.416 3.796 20 0 EHADLO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1(C)C ZINC000131547301 1023421676 /nfs/dbraw/zinc/42/16/76/1023421676.db2.gz LSKIYURCESSQKH-UONOGXRCSA-N 1 2 345.830 3.716 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c(C)c[nH+]1 ZINC000535748206 1023605053 /nfs/dbraw/zinc/60/50/53/1023605053.db2.gz QLTAQXCJZCGGRV-UHFFFAOYSA-N 1 2 348.402 3.930 20 0 EHADLO COc1ccccc1C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000535772604 1023622618 /nfs/dbraw/zinc/62/26/18/1023622618.db2.gz NMEOLVYXUBIRJH-QGZVFWFLSA-N 1 2 341.455 3.518 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2c(F)c(F)ccc2OC)CC1 ZINC001143417730 1023665626 /nfs/dbraw/zinc/66/56/26/1023665626.db2.gz JIMRESDSZFLCNA-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO CCc1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc2o1 ZINC000341927187 1023701995 /nfs/dbraw/zinc/70/19/95/1023701995.db2.gz WUMXGKDRVOHPIB-UHFFFAOYSA-N 1 2 332.363 3.828 20 0 EHADLO C[C@@H](CC(F)(F)F)Nc1cc(N[C@@H](C)CC(F)(F)F)[nH+]cn1 ZINC000341995442 1023749559 /nfs/dbraw/zinc/74/95/59/1023749559.db2.gz KBSRTCZSDYNLMK-YUMQZZPRSA-N 1 2 330.276 3.982 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC000610828175 1023779417 /nfs/dbraw/zinc/77/94/17/1023779417.db2.gz DIPMUPKLYZNNNL-IBGZPJMESA-N 1 2 329.440 3.547 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC000610828175 1023779422 /nfs/dbraw/zinc/77/94/22/1023779422.db2.gz DIPMUPKLYZNNNL-IBGZPJMESA-N 1 2 329.440 3.547 20 0 EHADLO C[C@@H](O)CCC[NH2+][C@H](C)C(F)(F)c1ccc(Br)cc1 ZINC000926314631 1023843695 /nfs/dbraw/zinc/84/36/95/1023843695.db2.gz MMVNBEFNXUYCQV-GHMZBOCLSA-N 1 2 336.220 3.680 20 0 EHADLO CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1Cc2ccccc2C1 ZINC000342092025 1023889587 /nfs/dbraw/zinc/88/95/87/1023889587.db2.gz VRHRZDCEGZHWOO-HXUWFJFHSA-N 1 2 345.446 3.558 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(Br)cs2)[nH]1 ZINC000277157369 1023893170 /nfs/dbraw/zinc/89/31/70/1023893170.db2.gz GLLBNCSBSDAASV-DTWKUNHWSA-N 1 2 343.294 3.993 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684625631 1023898862 /nfs/dbraw/zinc/89/88/62/1023898862.db2.gz APUISQJDOQOPLS-JTQLQIEISA-N 1 2 336.304 3.764 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684625632 1023899123 /nfs/dbraw/zinc/89/91/23/1023899123.db2.gz APUISQJDOQOPLS-SNVBAGLBSA-N 1 2 336.304 3.764 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000574454081 1033176069 /nfs/dbraw/zinc/17/60/69/1033176069.db2.gz OXJDSHHXBYKHDU-UXHICEINSA-N 1 2 342.483 3.674 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3c(c2)CCC3)c1C ZINC000058606570 1023982235 /nfs/dbraw/zinc/98/22/35/1023982235.db2.gz HFAHUTWFOMBYOM-UHFFFAOYSA-N 1 2 339.439 3.860 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459111403 1024005018 /nfs/dbraw/zinc/00/50/18/1024005018.db2.gz GFIBTFVFDWDMFJ-IAGOWNOFSA-N 1 2 332.492 3.836 20 0 EHADLO Cc1c(Cl)cccc1-n1ccnc1SCc1cc[nH+]c(N)c1 ZINC000443475225 1024017869 /nfs/dbraw/zinc/01/78/69/1024017869.db2.gz JWQNNBKKNCUNQN-UHFFFAOYSA-N 1 2 330.844 3.934 20 0 EHADLO COCc1cccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000346059901 1024069131 /nfs/dbraw/zinc/06/91/31/1024069131.db2.gz MBURWEQMRVUGGZ-UHFFFAOYSA-N 1 2 346.390 3.795 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ncnn3C(C)C)oc21 ZINC000434486344 1024076737 /nfs/dbraw/zinc/07/67/37/1024076737.db2.gz QLOMBZBZRPDGAL-CYBMUJFWSA-N 1 2 328.416 3.855 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000151348706 1024103528 /nfs/dbraw/zinc/10/35/28/1024103528.db2.gz LTUJZJQXZDNIOS-HOTGVXAUSA-N 1 2 339.345 3.893 20 0 EHADLO CCc1noc(C)c1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000163490674 1033182594 /nfs/dbraw/zinc/18/25/94/1033182594.db2.gz HZKXSIWFMLBELK-UHFFFAOYSA-N 1 2 333.407 3.534 20 0 EHADLO CCc1noc(C)c1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000163490674 1033182605 /nfs/dbraw/zinc/18/26/05/1033182605.db2.gz HZKXSIWFMLBELK-UHFFFAOYSA-N 1 2 333.407 3.534 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000182522605 1024107347 /nfs/dbraw/zinc/10/73/47/1024107347.db2.gz DTOANGZYPBNRCF-UHFFFAOYSA-N 1 2 346.818 3.608 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2(C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000522617339 1024120740 /nfs/dbraw/zinc/12/07/40/1024120740.db2.gz WXOARLDXEOKRFI-INIZCTEOSA-N 1 2 345.487 3.924 20 0 EHADLO COc1cc(C[NH2+]Cc2cocn2)ccc1OCc1ccc(F)cc1 ZINC000594061727 1033188133 /nfs/dbraw/zinc/18/81/33/1033188133.db2.gz XZSNCOMFGNQIJD-UHFFFAOYSA-N 1 2 342.370 3.691 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCC[C@@H](C)CC2)c1C ZINC000443553809 1024133907 /nfs/dbraw/zinc/13/39/07/1024133907.db2.gz QWIJFMVZVJQRSS-CJNGLKHVSA-N 1 2 333.476 3.817 20 0 EHADLO COC(=O)c1cnc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)s1 ZINC000895084199 1024134672 /nfs/dbraw/zinc/13/46/72/1024134672.db2.gz HYYVMOLLVHMSJG-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2C[C@H](C)C[C@@H]2CC)nc1-c1ccccc1 ZINC000840018833 1024162745 /nfs/dbraw/zinc/16/27/45/1024162745.db2.gz PINOCLUYQPJHSX-QAPCUYQASA-N 1 2 325.456 3.551 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2C[C@H](C)C[C@@H]2CC)nc1-c1ccccc1 ZINC000840018833 1024162753 /nfs/dbraw/zinc/16/27/53/1024162753.db2.gz PINOCLUYQPJHSX-QAPCUYQASA-N 1 2 325.456 3.551 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000346032003 1024183189 /nfs/dbraw/zinc/18/31/89/1024183189.db2.gz NOIGZPDWXRVCBR-UHFFFAOYSA-N 1 2 333.435 3.532 20 0 EHADLO CC(C)CC[C@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000134829605 1024184546 /nfs/dbraw/zinc/18/45/46/1024184546.db2.gz QRZBVUFXRFZSJB-GOSISDBHSA-N 1 2 346.519 3.762 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000329775021 1024190990 /nfs/dbraw/zinc/19/09/90/1024190990.db2.gz IYBQULSMAVUQGO-FUHWJXTLSA-N 1 2 341.455 3.688 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000329775021 1024190997 /nfs/dbraw/zinc/19/09/97/1024190997.db2.gz IYBQULSMAVUQGO-FUHWJXTLSA-N 1 2 341.455 3.688 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)co2)cc1 ZINC000761045109 1033192365 /nfs/dbraw/zinc/19/23/65/1033192365.db2.gz FMZRXZYPAZDZOH-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)co2)cc1 ZINC000761045109 1033192374 /nfs/dbraw/zinc/19/23/74/1033192374.db2.gz FMZRXZYPAZDZOH-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nc(C3CCCC3)no2)cc1F ZINC000192141599 1024236400 /nfs/dbraw/zinc/23/64/00/1024236400.db2.gz LKHPDINSOVVMLE-NVXWUHKLSA-N 1 2 349.381 3.625 20 0 EHADLO CC[C@@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000522674540 1024270340 /nfs/dbraw/zinc/27/03/40/1024270340.db2.gz QZGNWXOMRXYWAQ-MRXNPFEDSA-N 1 2 345.512 3.915 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3ccc(F)c(F)c3n2)[nH]1 ZINC000639103970 1024324181 /nfs/dbraw/zinc/32/41/81/1024324181.db2.gz WZJDBSBCCVWIPE-WDEREUQCSA-N 1 2 345.397 3.995 20 0 EHADLO CC[N@@H+](Cc1csc(COc2ccccc2)n1)C[C@H]1CCCO1 ZINC000051554635 1024331792 /nfs/dbraw/zinc/33/17/92/1024331792.db2.gz GHXMITMCIYGNIM-QGZVFWFLSA-N 1 2 332.469 3.723 20 0 EHADLO CC[N@H+](Cc1csc(COc2ccccc2)n1)C[C@H]1CCCO1 ZINC000051554635 1024331809 /nfs/dbraw/zinc/33/18/09/1024331809.db2.gz GHXMITMCIYGNIM-QGZVFWFLSA-N 1 2 332.469 3.723 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000548540017 1024345925 /nfs/dbraw/zinc/34/59/25/1024345925.db2.gz PGSZGYIAZGGQIZ-DLBZAZTESA-N 1 2 327.428 3.735 20 0 EHADLO Cc1ccc(Br)c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895346932 1024346655 /nfs/dbraw/zinc/34/66/55/1024346655.db2.gz OSXCUXWAKFTQBT-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CC[NH2+]1 ZINC000505498154 1024354007 /nfs/dbraw/zinc/35/40/07/1024354007.db2.gz IDSKJFRPRLCOQB-SJLPKXTDSA-N 1 2 344.499 3.775 20 0 EHADLO FC(F)(F)COc1cccc(Cn2cc[nH+]c2)c1Br ZINC000657255847 1024356941 /nfs/dbraw/zinc/35/69/41/1024356941.db2.gz RAPNSWANDWFSNN-UHFFFAOYSA-N 1 2 335.123 3.635 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC000007048945 1024375082 /nfs/dbraw/zinc/37/50/82/1024375082.db2.gz OQSJLNNBKKAXHG-GFCCVEGCSA-N 1 2 338.436 3.640 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505505943 1024389799 /nfs/dbraw/zinc/38/97/99/1024389799.db2.gz KZEXHEHUOKJKPV-NVXWUHKLSA-N 1 2 335.517 3.544 20 0 EHADLO Cc1c(Cl)cccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000346097661 1024397422 /nfs/dbraw/zinc/39/74/22/1024397422.db2.gz VJQNOOSLUPFITD-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CCc1cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)nc(CC)[nH+]1 ZINC000892032057 1024409449 /nfs/dbraw/zinc/40/94/49/1024409449.db2.gz GFIXCKUQSISPLH-CYBMUJFWSA-N 1 2 340.427 3.731 20 0 EHADLO CCCn1c(C)nnc1SCc1ccc(-n2cc[nH+]c2)cc1C ZINC000191569321 1024417576 /nfs/dbraw/zinc/41/75/76/1024417576.db2.gz IKFTYVPRPVNKCV-UHFFFAOYSA-N 1 2 327.457 3.783 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505529227 1024440604 /nfs/dbraw/zinc/44/06/04/1024440604.db2.gz FWKQHKMANOFRQU-OXJNMPFZSA-N 1 2 340.442 3.883 20 0 EHADLO O=C(NCc1cc2ccccc2o1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522399047 1024442469 /nfs/dbraw/zinc/44/24/69/1024442469.db2.gz ARNVQIACFXXZRK-UHFFFAOYSA-N 1 2 346.390 3.618 20 0 EHADLO Cc1ccnc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1 ZINC000684669063 1024459801 /nfs/dbraw/zinc/45/98/01/1024459801.db2.gz ZDOADEJGQFRGKP-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1ccnc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1 ZINC000684669063 1024459806 /nfs/dbraw/zinc/45/98/06/1024459806.db2.gz ZDOADEJGQFRGKP-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Clc1cccc(CN(CCn2cc[nH+]c2)Cc2nccs2)c1 ZINC000684669434 1024462069 /nfs/dbraw/zinc/46/20/69/1024462069.db2.gz LBRXPFJLMVQOEA-UHFFFAOYSA-N 1 2 332.860 3.695 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c(C)[nH+]1 ZINC000097040365 1024467812 /nfs/dbraw/zinc/46/78/12/1024467812.db2.gz MHIYUVWTFWBMHC-UHFFFAOYSA-N 1 2 337.427 3.893 20 0 EHADLO Fc1cc(Br)cc(C[NH+]2CCC3(CCCO3)CC2)c1F ZINC001141803036 1024470042 /nfs/dbraw/zinc/47/00/42/1024470042.db2.gz LQFBBOLZMZCOEI-UHFFFAOYSA-N 1 2 346.215 3.872 20 0 EHADLO Oc1cccc2sc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cc21 ZINC000895402010 1024471263 /nfs/dbraw/zinc/47/12/63/1024471263.db2.gz HVQJPMPIPNZBDB-UHFFFAOYSA-N 1 2 337.448 3.833 20 0 EHADLO Oc1cccc2sc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)cc21 ZINC000895402010 1024471265 /nfs/dbraw/zinc/47/12/65/1024471265.db2.gz HVQJPMPIPNZBDB-UHFFFAOYSA-N 1 2 337.448 3.833 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H](c4noc(C)n4)C3)cc[nH+]c12 ZINC000895405040 1024477740 /nfs/dbraw/zinc/47/77/40/1024477740.db2.gz YJCGINYLIDTNTJ-AWEZNQCLSA-N 1 2 338.411 3.709 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)NCc1cccs1 ZINC000434893549 1024478028 /nfs/dbraw/zinc/47/80/28/1024478028.db2.gz BGVKNAHFMPMPAD-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)NCc1cccs1 ZINC000434893549 1024478056 /nfs/dbraw/zinc/47/80/56/1024478056.db2.gz BGVKNAHFMPMPAD-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO Cc1ccnc(N)c1C[N@H+](C)Cc1ccc(Br)cc1F ZINC000895416900 1024487493 /nfs/dbraw/zinc/48/74/93/1024487493.db2.gz GKJCGZFOQVQLIB-UHFFFAOYSA-N 1 2 338.224 3.506 20 0 EHADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000895416900 1024487502 /nfs/dbraw/zinc/48/75/02/1024487502.db2.gz GKJCGZFOQVQLIB-UHFFFAOYSA-N 1 2 338.224 3.506 20 0 EHADLO CC(C)COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000342229126 1024492821 /nfs/dbraw/zinc/49/28/21/1024492821.db2.gz LSINXZIGZIRCTK-UHFFFAOYSA-N 1 2 336.395 3.554 20 0 EHADLO O=C(C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)NCC1CCC1 ZINC000434908172 1024499069 /nfs/dbraw/zinc/49/90/69/1024499069.db2.gz XTEOIPLCRGWMMH-UHFFFAOYSA-N 1 2 336.426 3.626 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000280965662 1024498924 /nfs/dbraw/zinc/49/89/24/1024498924.db2.gz AGDIRICIOYTDQF-LJQANCHMSA-N 1 2 341.434 3.524 20 0 EHADLO O=C(C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)NCC1CCC1 ZINC000434908172 1024499078 /nfs/dbraw/zinc/49/90/78/1024499078.db2.gz XTEOIPLCRGWMMH-UHFFFAOYSA-N 1 2 336.426 3.626 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cnccn1 ZINC000280974104 1024512455 /nfs/dbraw/zinc/51/24/55/1024512455.db2.gz LNSKGVBBIPXDLZ-YMTOWFKASA-N 1 2 345.752 3.533 20 0 EHADLO CC[C@@H](CC(F)(F)F)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425255473 1024519997 /nfs/dbraw/zinc/51/99/97/1024519997.db2.gz MYNJDCXPTFWJGU-KBPBESRZSA-N 1 2 339.361 3.779 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccc(F)cc3o2)c(OC)c1 ZINC000342240229 1024526468 /nfs/dbraw/zinc/52/64/68/1024526468.db2.gz WYUKFHPMOLHWLB-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccc(F)cc3o2)c(OC)c1 ZINC000342240229 1024526476 /nfs/dbraw/zinc/52/64/76/1024526476.db2.gz WYUKFHPMOLHWLB-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)[nH]c1C(C)C ZINC000895459712 1024527129 /nfs/dbraw/zinc/52/71/29/1024527129.db2.gz GXLHUZKXWXVRQB-INIZCTEOSA-N 1 2 336.382 3.864 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000455946246 1033218084 /nfs/dbraw/zinc/21/80/84/1033218084.db2.gz MSWUYUIVHNHNOC-VIBAHUMZSA-N 1 2 343.858 3.750 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000346230798 1024544678 /nfs/dbraw/zinc/54/46/78/1024544678.db2.gz XFULUWAFPSBXOK-AWEZNQCLSA-N 1 2 332.444 3.940 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000346230798 1024544684 /nfs/dbraw/zinc/54/46/84/1024544684.db2.gz XFULUWAFPSBXOK-AWEZNQCLSA-N 1 2 332.444 3.940 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425263331 1024546031 /nfs/dbraw/zinc/54/60/31/1024546031.db2.gz BNZADHYZHXUXPV-GOSISDBHSA-N 1 2 325.456 3.969 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)[nH]1 ZINC000277308713 1024551360 /nfs/dbraw/zinc/55/13/60/1024551360.db2.gz SIPYCVTZVJYGCM-AVGNSLFASA-N 1 2 332.496 3.990 20 0 EHADLO Cc1[nH+]ccn1Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1 ZINC000665186033 1024584956 /nfs/dbraw/zinc/58/49/56/1024584956.db2.gz LYAVWHFDUFRQOX-UHFFFAOYSA-N 1 2 347.462 3.739 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000435096344 1024616987 /nfs/dbraw/zinc/61/69/87/1024616987.db2.gz VTZYUELOROJXMA-HOTGVXAUSA-N 1 2 349.544 3.638 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000435096344 1024616994 /nfs/dbraw/zinc/61/69/94/1024616994.db2.gz VTZYUELOROJXMA-HOTGVXAUSA-N 1 2 349.544 3.638 20 0 EHADLO COC(=O)c1cnc([C@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)s1 ZINC000425274977 1024619044 /nfs/dbraw/zinc/61/90/44/1024619044.db2.gz SJVNUKYPDIYEBW-NSHDSACASA-N 1 2 348.472 3.562 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1c[nH]nc1-c1cccs1 ZINC000346323775 1024623494 /nfs/dbraw/zinc/62/34/94/1024623494.db2.gz VLRRXDSSFPQQSU-UHFFFAOYSA-N 1 2 343.843 3.712 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000425278379 1024626736 /nfs/dbraw/zinc/62/67/36/1024626736.db2.gz GQHHYZWMGNGABW-HXUWFJFHSA-N 1 2 345.446 3.825 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cnc1F ZINC000895587566 1024633134 /nfs/dbraw/zinc/63/31/34/1024633134.db2.gz ZDZPASBPZRJJOW-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cnc1F ZINC000895587566 1024633145 /nfs/dbraw/zinc/63/31/45/1024633145.db2.gz ZDZPASBPZRJJOW-HXUWFJFHSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cnc1F ZINC000895587565 1024634614 /nfs/dbraw/zinc/63/46/14/1024634614.db2.gz ZDZPASBPZRJJOW-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cnc1F ZINC000895587565 1024634616 /nfs/dbraw/zinc/63/46/16/1024634616.db2.gz ZDZPASBPZRJJOW-FQEVSTJZSA-N 1 2 340.398 3.529 20 0 EHADLO COc1ccccc1CC[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139903 1024655348 /nfs/dbraw/zinc/65/53/48/1024655348.db2.gz YEFNVTOWWLHLME-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO COc1ccccc1CC[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139903 1024655352 /nfs/dbraw/zinc/65/53/52/1024655352.db2.gz YEFNVTOWWLHLME-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614382 1024659313 /nfs/dbraw/zinc/65/93/13/1024659313.db2.gz WGGPXUOXRRMLSM-UKRRQHHQSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614382 1024659319 /nfs/dbraw/zinc/65/93/19/1024659319.db2.gz WGGPXUOXRRMLSM-UKRRQHHQSA-N 1 2 333.863 3.740 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H]1C ZINC000346382009 1024671454 /nfs/dbraw/zinc/67/14/54/1024671454.db2.gz GVSVXZAUSPSIJH-KGLIPLIRSA-N 1 2 336.505 3.639 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614674839 1024686976 /nfs/dbraw/zinc/68/69/76/1024686976.db2.gz WSHLGKWQOUELQQ-HNNXBMFYSA-N 1 2 337.533 3.680 20 0 EHADLO O=C(Nc1ccccc1OCC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000151802226 1024701667 /nfs/dbraw/zinc/70/16/67/1024701667.db2.gz CYIJDDSSIBVLRU-UHFFFAOYSA-N 1 2 343.333 3.769 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000435243385 1024737055 /nfs/dbraw/zinc/73/70/55/1024737055.db2.gz UMNBVAFLRJPOIH-LLVKDONJSA-N 1 2 333.325 3.620 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000435243385 1024737062 /nfs/dbraw/zinc/73/70/62/1024737062.db2.gz UMNBVAFLRJPOIH-LLVKDONJSA-N 1 2 333.325 3.620 20 0 EHADLO Cc1nc(CC2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)no1 ZINC000895698584 1024748826 /nfs/dbraw/zinc/74/88/26/1024748826.db2.gz IKPPZNXWRJLVPK-UHFFFAOYSA-N 1 2 326.375 3.524 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000425315509 1024751658 /nfs/dbraw/zinc/75/16/58/1024751658.db2.gz OOYYTKCBCDXRNM-GUDVDZBRSA-N 1 2 337.467 3.874 20 0 EHADLO COCc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346468314 1024755350 /nfs/dbraw/zinc/75/53/50/1024755350.db2.gz AEAWIZWUKQKTAT-HXUWFJFHSA-N 1 2 337.398 3.641 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCCCC1(F)F ZINC000425321392 1024758327 /nfs/dbraw/zinc/75/83/27/1024758327.db2.gz YTAUYBVUXSXZIY-HZPDHXFCSA-N 1 2 347.409 3.873 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482996 1024769326 /nfs/dbraw/zinc/76/93/26/1024769326.db2.gz KKEGZLAEWLEJHM-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482996 1024769336 /nfs/dbraw/zinc/76/93/36/1024769336.db2.gz KKEGZLAEWLEJHM-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO Cc1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)cc[nH+]1 ZINC000536448557 1024821305 /nfs/dbraw/zinc/82/13/05/1024821305.db2.gz PAABLJZEVHYVMG-UHFFFAOYSA-N 1 2 328.318 3.819 20 0 EHADLO CCn1ccnc1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425352534 1024822370 /nfs/dbraw/zinc/82/23/70/1024822370.db2.gz ONMCLRNVSDGUAD-UHFFFAOYSA-N 1 2 330.501 3.618 20 0 EHADLO CCCCN(C(=O)NCCn1cc[nH+]c1)[C@H](CC)c1ccccc1 ZINC000114817964 1024823974 /nfs/dbraw/zinc/82/39/74/1024823974.db2.gz XXMKGHGONOPPNB-GOSISDBHSA-N 1 2 328.460 3.846 20 0 EHADLO C[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H](C)CO1 ZINC000508014026 1024834865 /nfs/dbraw/zinc/83/48/65/1024834865.db2.gz JXBMPQNRFKGGTF-GHMZBOCLSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H](C)CO1 ZINC000508014026 1024834885 /nfs/dbraw/zinc/83/48/85/1024834885.db2.gz JXBMPQNRFKGGTF-GHMZBOCLSA-N 1 2 328.239 3.878 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000346537896 1024843221 /nfs/dbraw/zinc/84/32/21/1024843221.db2.gz CCTQDCZVYAUBQF-CHWSQXEVSA-N 1 2 328.412 3.694 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000346537896 1024843239 /nfs/dbraw/zinc/84/32/39/1024843239.db2.gz CCTQDCZVYAUBQF-CHWSQXEVSA-N 1 2 328.412 3.694 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548711 1024856366 /nfs/dbraw/zinc/85/63/66/1024856366.db2.gz DURWIHMWBDHHEA-ZWKOTPCHSA-N 1 2 340.471 3.534 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000342326529 1024895946 /nfs/dbraw/zinc/89/59/46/1024895946.db2.gz KMEWKMGYJWXFOD-MRXNPFEDSA-N 1 2 333.794 3.604 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)o1 ZINC000346593042 1024906399 /nfs/dbraw/zinc/90/63/99/1024906399.db2.gz MPOQQVFQDQJSOF-HOCLYGCPSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)o1 ZINC000346593042 1024906402 /nfs/dbraw/zinc/90/64/02/1024906402.db2.gz MPOQQVFQDQJSOF-HOCLYGCPSA-N 1 2 326.440 3.776 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000281335841 1024910283 /nfs/dbraw/zinc/91/02/83/1024910283.db2.gz JYFLFWQZILTQIE-QGZVFWFLSA-N 1 2 343.471 3.654 20 0 EHADLO Cc1cc(C)c2cc(NC3CCC(CS(C)(=O)=O)CC3)ccc2[nH+]1 ZINC000895879134 1024924999 /nfs/dbraw/zinc/92/49/99/1024924999.db2.gz RKXCCTTTXIDGRF-UHFFFAOYSA-N 1 2 346.496 3.867 20 0 EHADLO Cc1nnc(C[N@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)n1C ZINC000346623042 1024935925 /nfs/dbraw/zinc/93/59/25/1024935925.db2.gz CFFCWFIWMZUBCI-UHFFFAOYSA-N 1 2 326.366 3.553 20 0 EHADLO Cc1nnc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)n1C ZINC000346623042 1024935949 /nfs/dbraw/zinc/93/59/49/1024935949.db2.gz CFFCWFIWMZUBCI-UHFFFAOYSA-N 1 2 326.366 3.553 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000342336449 1024958451 /nfs/dbraw/zinc/95/84/51/1024958451.db2.gz JNTJXKPLNYCSEA-CYBMUJFWSA-N 1 2 325.334 3.511 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000342336449 1024958469 /nfs/dbraw/zinc/95/84/69/1024958469.db2.gz JNTJXKPLNYCSEA-CYBMUJFWSA-N 1 2 325.334 3.511 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1C ZINC000515063131 1024993870 /nfs/dbraw/zinc/99/38/70/1024993870.db2.gz IICOXXGVKQOHQT-XLIONFOSSA-N 1 2 337.467 3.816 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000375661712 1025025255 /nfs/dbraw/zinc/02/52/55/1025025255.db2.gz BCIWRSBHGTXDBB-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000375661712 1025025265 /nfs/dbraw/zinc/02/52/65/1025025265.db2.gz BCIWRSBHGTXDBB-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc3ccccc3n2)nnn1-c1ccccc1 ZINC000346787860 1025099590 /nfs/dbraw/zinc/09/95/90/1025099590.db2.gz AONZEENTUJQTQJ-HNNXBMFYSA-N 1 2 343.434 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@H](C)O1 ZINC000435767598 1025128460 /nfs/dbraw/zinc/12/84/60/1025128460.db2.gz JIVPPWGKFMYTQC-PHIMTYICSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@H](C)O1 ZINC000435767598 1025128464 /nfs/dbraw/zinc/12/84/64/1025128464.db2.gz JIVPPWGKFMYTQC-PHIMTYICSA-N 1 2 328.239 3.878 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc(F)c1 ZINC000665271090 1025135726 /nfs/dbraw/zinc/13/57/26/1025135726.db2.gz GYBRLLNUCLWAOT-RTBURBONSA-N 1 2 336.414 3.508 20 0 EHADLO COCc1cc[nH+]c(NCc2c(C)nn(-c3ccccc3C)c2C)c1 ZINC000895150319 1025153424 /nfs/dbraw/zinc/15/34/24/1025153424.db2.gz JXJJJQAVSPTQAY-UHFFFAOYSA-N 1 2 336.439 3.951 20 0 EHADLO COc1ncccc1-c1noc([C@H]2CCC[C@@H](c3ccccc3)[NH2+]2)n1 ZINC001211886291 1025164019 /nfs/dbraw/zinc/16/40/19/1025164019.db2.gz YUWFDMCZKCSIEW-JKSUJKDBSA-N 1 2 336.395 3.696 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000342390701 1025164424 /nfs/dbraw/zinc/16/44/24/1025164424.db2.gz QSMNQRTUVYKDIQ-MELADBBJSA-N 1 2 336.505 3.780 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000342390701 1025164428 /nfs/dbraw/zinc/16/44/28/1025164428.db2.gz QSMNQRTUVYKDIQ-MELADBBJSA-N 1 2 336.505 3.780 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@]1=O ZINC000277456270 1025166071 /nfs/dbraw/zinc/16/60/71/1025166071.db2.gz KFOYDFGLEFUDNI-MCMMXHMISA-N 1 2 337.485 3.897 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@]1=O ZINC000277456270 1025166079 /nfs/dbraw/zinc/16/60/79/1025166079.db2.gz KFOYDFGLEFUDNI-MCMMXHMISA-N 1 2 337.485 3.897 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCC=C2 ZINC000342393865 1025179012 /nfs/dbraw/zinc/17/90/12/1025179012.db2.gz FIOHERIRWUDTSG-UHFFFAOYSA-N 1 2 343.430 3.821 20 0 EHADLO C[C@H](c1noc(C2([NH+](C)C)CC2)n1)c1ccc(Br)cc1 ZINC000896146704 1025184658 /nfs/dbraw/zinc/18/46/58/1025184658.db2.gz DXNPJYPJGNCZSM-JTQLQIEISA-N 1 2 336.233 3.535 20 0 EHADLO CCSc1ccc([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000896161127 1025198468 /nfs/dbraw/zinc/19/84/68/1025198468.db2.gz BFVMNPLOONAQGZ-AWEZNQCLSA-N 1 2 331.485 3.916 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ncc(Br)cn2)s1 ZINC000346840113 1025229479 /nfs/dbraw/zinc/22/94/79/1025229479.db2.gz KFDGQNBGUOBWSN-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ncc(Br)cn2)s1 ZINC000346840113 1025229488 /nfs/dbraw/zinc/22/94/88/1025229488.db2.gz KFDGQNBGUOBWSN-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@H](C)C[C@@H]3c3ccco3)nc(N)c2c1C ZINC000154088647 1025305105 /nfs/dbraw/zinc/30/51/05/1025305105.db2.gz PCVUQMDQABCCAZ-SMDDNHRTSA-N 1 2 340.427 3.988 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@H](C)C[C@@H]3c3ccco3)nc(N)c2c1C ZINC000154088647 1025305115 /nfs/dbraw/zinc/30/51/15/1025305115.db2.gz PCVUQMDQABCCAZ-SMDDNHRTSA-N 1 2 340.427 3.988 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C(CC)CC)no1 ZINC000346925304 1025316662 /nfs/dbraw/zinc/31/66/62/1025316662.db2.gz GULAIBCYDMNROR-UHFFFAOYSA-N 1 2 346.475 3.890 20 0 EHADLO C[NH+](C)C1(c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000896284732 1025317572 /nfs/dbraw/zinc/31/75/72/1025317572.db2.gz YKEQEDAYYXVBJY-NSHDSACASA-N 1 2 329.297 3.698 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000113401597 1025326579 /nfs/dbraw/zinc/32/65/79/1025326579.db2.gz GQPDYBHZHXQGED-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2F)cc[nH+]1 ZINC000436045560 1025329411 /nfs/dbraw/zinc/32/94/11/1025329411.db2.gz XVWQKSVVAJGJKV-UHFFFAOYSA-N 1 2 343.583 3.619 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346983675 1025384524 /nfs/dbraw/zinc/38/45/24/1025384524.db2.gz ZKTJLJHRAGBEGU-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346983675 1025384537 /nfs/dbraw/zinc/38/45/37/1025384537.db2.gz ZKTJLJHRAGBEGU-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1nc(N[C@H]2CCCc3cccnc32)c(Br)c(C)[nH+]1 ZINC000896418560 1025429175 /nfs/dbraw/zinc/42/91/75/1025429175.db2.gz BQFDIXWWOXSYNI-LBPRGKRZSA-N 1 2 333.233 3.740 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000436188053 1025439695 /nfs/dbraw/zinc/43/96/95/1025439695.db2.gz IMZLYOPILQLVEU-RISCZKNCSA-N 1 2 325.334 3.579 20 0 EHADLO CSc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000353900106 1025440687 /nfs/dbraw/zinc/44/06/87/1025440687.db2.gz NFEGNVXEVKJNBW-SNVBAGLBSA-N 1 2 338.274 3.812 20 0 EHADLO CSC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000436173076 1025445037 /nfs/dbraw/zinc/44/50/37/1025445037.db2.gz AHZMXGNGFSGACW-UHFFFAOYSA-N 1 2 327.453 3.721 20 0 EHADLO Cn1ccc(C2CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)n1 ZINC000896495631 1025499942 /nfs/dbraw/zinc/49/99/42/1025499942.db2.gz QWSYTUIRAQJTOY-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)[nH]1 ZINC000277503911 1025501401 /nfs/dbraw/zinc/50/14/01/1025501401.db2.gz VRPRIZWSYHGCCJ-DZGCQCFKSA-N 1 2 338.459 3.663 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347079587 1025502360 /nfs/dbraw/zinc/50/23/60/1025502360.db2.gz JBORDGMOTOAVFY-FOIQADDNSA-N 1 2 331.419 3.595 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531467 1025518765 /nfs/dbraw/zinc/51/87/65/1025518765.db2.gz NECBTLLOWUVWNI-SNVBAGLBSA-N 1 2 345.299 3.638 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531467 1025518776 /nfs/dbraw/zinc/51/87/76/1025518776.db2.gz NECBTLLOWUVWNI-SNVBAGLBSA-N 1 2 345.299 3.638 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000342443521 1025523514 /nfs/dbraw/zinc/52/35/14/1025523514.db2.gz BSJAYIULIAFCJH-HXUWFJFHSA-N 1 2 336.435 3.882 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000342443521 1025523525 /nfs/dbraw/zinc/52/35/25/1025523525.db2.gz BSJAYIULIAFCJH-HXUWFJFHSA-N 1 2 336.435 3.882 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000469829521 1025552309 /nfs/dbraw/zinc/55/23/09/1025552309.db2.gz COZDZTFRHJACKG-KVQFHVITSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000469829521 1025552320 /nfs/dbraw/zinc/55/23/20/1025552320.db2.gz COZDZTFRHJACKG-KVQFHVITSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccs1 ZINC000281833130 1025553382 /nfs/dbraw/zinc/55/33/82/1025553382.db2.gz ADHJGRGPPRDUAF-CABCVRRESA-N 1 2 343.496 3.791 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442885723 1025568030 /nfs/dbraw/zinc/56/80/30/1025568030.db2.gz OCMRXPWQEUNSIP-HNNXBMFYSA-N 1 2 338.377 3.832 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442885723 1025568045 /nfs/dbraw/zinc/56/80/45/1025568045.db2.gz OCMRXPWQEUNSIP-HNNXBMFYSA-N 1 2 338.377 3.832 20 0 EHADLO Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)c(OCC(F)(F)F)c1 ZINC000281848556 1025573841 /nfs/dbraw/zinc/57/38/41/1025573841.db2.gz YZFAXJQMPQJXNM-UHFFFAOYSA-N 1 2 347.768 3.613 20 0 EHADLO Cc1nc(CC2CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)no1 ZINC000896548874 1025585335 /nfs/dbraw/zinc/58/53/35/1025585335.db2.gz AHQKYWBGYNOJKZ-UHFFFAOYSA-N 1 2 341.789 3.764 20 0 EHADLO CN(C)c1cccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000607724051 1033293464 /nfs/dbraw/zinc/29/34/64/1033293464.db2.gz RXSVPYLQBXUMHL-UHFFFAOYSA-N 1 2 341.474 3.600 20 0 EHADLO CN(C)c1cccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000607724051 1033293478 /nfs/dbraw/zinc/29/34/78/1033293478.db2.gz RXSVPYLQBXUMHL-UHFFFAOYSA-N 1 2 341.474 3.600 20 0 EHADLO COc1cc(NC(=O)CCc2c[nH+]cn2C)c(C2CC2)cc1Cl ZINC000655384199 1025610710 /nfs/dbraw/zinc/61/07/10/1025610710.db2.gz OLDUWTWYRGPUEZ-UHFFFAOYSA-N 1 2 333.819 3.531 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000303695056 1025615869 /nfs/dbraw/zinc/61/58/69/1025615869.db2.gz QNGNZAJXNZUBIJ-GOSISDBHSA-N 1 2 337.810 3.943 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892227025 1025630124 /nfs/dbraw/zinc/63/01/24/1025630124.db2.gz YZHZUBQVBYYTGI-ZTFRIQLXSA-N 1 2 341.373 3.518 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892227025 1025630130 /nfs/dbraw/zinc/63/01/30/1025630130.db2.gz YZHZUBQVBYYTGI-ZTFRIQLXSA-N 1 2 341.373 3.518 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193690 1025665945 /nfs/dbraw/zinc/66/59/45/1025665945.db2.gz UZSUOFPYDNWTRS-DOMZBBRYSA-N 1 2 345.245 3.701 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193690 1025665953 /nfs/dbraw/zinc/66/59/53/1025665953.db2.gz UZSUOFPYDNWTRS-DOMZBBRYSA-N 1 2 345.245 3.701 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccccc3C(C)C)ccc2n1C ZINC000530330303 1025667965 /nfs/dbraw/zinc/66/79/65/1025667965.db2.gz XSFXMTWCZWDOGA-UHFFFAOYSA-N 1 2 343.452 3.806 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000664553595 1025684493 /nfs/dbraw/zinc/68/44/93/1025684493.db2.gz CVOXWYAGGOKKAI-VUCTXSBTSA-N 1 2 339.430 3.540 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000664553595 1025684505 /nfs/dbraw/zinc/68/45/05/1025684505.db2.gz CVOXWYAGGOKKAI-VUCTXSBTSA-N 1 2 339.430 3.540 20 0 EHADLO CCCc1occc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281907761 1025686897 /nfs/dbraw/zinc/68/68/97/1025686897.db2.gz POMMYGUWZITALT-UHFFFAOYSA-N 1 2 339.395 3.760 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056203 1025696695 /nfs/dbraw/zinc/69/66/95/1025696695.db2.gz FKEITTYRBUWLDV-MSOLQXFVSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056203 1025696703 /nfs/dbraw/zinc/69/67/03/1025696703.db2.gz FKEITTYRBUWLDV-MSOLQXFVSA-N 1 2 341.854 3.794 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261600521 1025697674 /nfs/dbraw/zinc/69/76/74/1025697674.db2.gz YEBWXHUPCZQWHO-CKLFPEKLSA-N 1 2 329.227 3.558 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2Cc3cccc(C)c3CC2(C)C)cs1 ZINC000451266308 1025735423 /nfs/dbraw/zinc/73/54/23/1025735423.db2.gz YUAFQYWCFJMUTQ-UHFFFAOYSA-N 1 2 329.469 3.747 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2Cc3cccc(C)c3CC2(C)C)cs1 ZINC000451266308 1025735443 /nfs/dbraw/zinc/73/54/43/1025735443.db2.gz YUAFQYWCFJMUTQ-UHFFFAOYSA-N 1 2 329.469 3.747 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1c1ccccc1 ZINC000451280601 1025752020 /nfs/dbraw/zinc/75/20/20/1025752020.db2.gz HIYJIDWPEBZGNJ-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1c1ccccc1 ZINC000451280601 1025752037 /nfs/dbraw/zinc/75/20/37/1025752037.db2.gz HIYJIDWPEBZGNJ-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO COc1cc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cc(C)n1 ZINC000347259675 1025753012 /nfs/dbraw/zinc/75/30/12/1025753012.db2.gz GSXPGQQCDADJRY-UHFFFAOYSA-N 1 2 347.378 3.610 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccccn1 ZINC000119721723 1025754100 /nfs/dbraw/zinc/75/41/00/1025754100.db2.gz LJFOBLBPGYYOSU-UHFFFAOYSA-N 1 2 339.483 3.731 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccccn1 ZINC000119721723 1025754115 /nfs/dbraw/zinc/75/41/15/1025754115.db2.gz LJFOBLBPGYYOSU-UHFFFAOYSA-N 1 2 339.483 3.731 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451286253 1025765784 /nfs/dbraw/zinc/76/57/84/1025765784.db2.gz CUQQPXJITHEOOQ-UHFFFAOYSA-N 1 2 339.430 3.607 20 0 EHADLO Cc1csc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)n1 ZINC000342478950 1025774126 /nfs/dbraw/zinc/77/41/26/1025774126.db2.gz KRLSQPFZKLNCMX-MRXNPFEDSA-N 1 2 332.469 3.933 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)Oc2ccccc2F)c(C)[nH+]1 ZINC000436491943 1025774256 /nfs/dbraw/zinc/77/42/56/1025774256.db2.gz IXJAVALCMMRCMZ-CYBMUJFWSA-N 1 2 331.391 3.735 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000348302666 1025775341 /nfs/dbraw/zinc/77/53/41/1025775341.db2.gz CWTXBCWMTYXRLW-AWEZNQCLSA-N 1 2 332.513 3.630 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000348302666 1025775363 /nfs/dbraw/zinc/77/53/63/1025775363.db2.gz CWTXBCWMTYXRLW-AWEZNQCLSA-N 1 2 332.513 3.630 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000451311898 1025793325 /nfs/dbraw/zinc/79/33/25/1025793325.db2.gz IFJDHQIFBSNGDH-CABCVRRESA-N 1 2 347.484 3.927 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000451311898 1025793339 /nfs/dbraw/zinc/79/33/39/1025793339.db2.gz IFJDHQIFBSNGDH-CABCVRRESA-N 1 2 347.484 3.927 20 0 EHADLO C[C@H]1[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1(F)F ZINC000425578153 1025804318 /nfs/dbraw/zinc/80/43/18/1025804318.db2.gz VOBDXCMFWHUCRV-XHDPSFHLSA-N 1 2 331.366 3.726 20 0 EHADLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000444159045 1025806951 /nfs/dbraw/zinc/80/69/51/1025806951.db2.gz IFIAWUBWKPTDBM-CQSZACIVSA-N 1 2 338.879 3.521 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)s1 ZINC000303957741 1025849553 /nfs/dbraw/zinc/84/95/53/1025849553.db2.gz XZZOZZGZNWNNNR-HIFRSBDPSA-N 1 2 339.549 3.900 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)s1 ZINC000303957741 1025849573 /nfs/dbraw/zinc/84/95/73/1025849573.db2.gz XZZOZZGZNWNNNR-HIFRSBDPSA-N 1 2 339.549 3.900 20 0 EHADLO CC(C)c1[nH+]c(CNC[C@@H](O)CCc2ccccc2)c2ccccn21 ZINC000522004366 1025875012 /nfs/dbraw/zinc/87/50/12/1025875012.db2.gz OLHOQCUYYJYCTK-SFHVURJKSA-N 1 2 337.467 3.541 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000121825667 1025897239 /nfs/dbraw/zinc/89/72/39/1025897239.db2.gz UKLBKZRPHQISTA-HOYKHHGWSA-N 1 2 340.448 3.551 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000436617761 1025949659 /nfs/dbraw/zinc/94/96/59/1025949659.db2.gz JJCAWMNDDLMUSL-KDOFPFPSSA-N 1 2 341.455 3.744 20 0 EHADLO CCc1noc(C)c1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000516073621 1025951164 /nfs/dbraw/zinc/95/11/64/1025951164.db2.gz YCZDKRJZTNPRJX-HNNXBMFYSA-N 1 2 346.818 3.900 20 0 EHADLO COc1ccc(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000113715266 1025960333 /nfs/dbraw/zinc/96/03/33/1025960333.db2.gz UVSJZDJOLXZJHE-UHFFFAOYSA-N 1 2 346.390 3.581 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(F)cc1Br ZINC001141910799 1025962555 /nfs/dbraw/zinc/96/25/55/1025962555.db2.gz XMGGOEYPEYHTCM-BMIGLBTASA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(F)cc1Br ZINC001141910799 1025962562 /nfs/dbraw/zinc/96/25/62/1025962562.db2.gz XMGGOEYPEYHTCM-BMIGLBTASA-N 1 2 346.215 3.728 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)[nH+]c1C ZINC000896913682 1025968806 /nfs/dbraw/zinc/96/88/06/1025968806.db2.gz VJUMZFNFYRZOKZ-PBHICJAKSA-N 1 2 335.492 3.798 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000896918355 1026003690 /nfs/dbraw/zinc/00/36/90/1026003690.db2.gz ADGHLGJHGONXJT-SNVBAGLBSA-N 1 2 339.361 3.540 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3ccc(F)cc3)[nH+]c12 ZINC000522965977 1026010826 /nfs/dbraw/zinc/01/08/26/1026010826.db2.gz VFHHOZYCAYERFU-SFHVURJKSA-N 1 2 337.398 3.688 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[nH+]c1C ZINC000896919579 1026026518 /nfs/dbraw/zinc/02/65/18/1026026518.db2.gz STIYOCLVSXEYDH-KBPBESRZSA-N 1 2 338.238 3.753 20 0 EHADLO CC[C@@H]1C[C@@H](Nc2cccc(C[N@H+](C)Cc3cscn3)c2)CO1 ZINC000657409503 1026080132 /nfs/dbraw/zinc/08/01/32/1026080132.db2.gz ZBDSBFGWYAAELJ-SJLPKXTDSA-N 1 2 331.485 3.755 20 0 EHADLO CC[C@@H]1C[C@@H](Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)CO1 ZINC000657409503 1026080150 /nfs/dbraw/zinc/08/01/50/1026080150.db2.gz ZBDSBFGWYAAELJ-SJLPKXTDSA-N 1 2 331.485 3.755 20 0 EHADLO Cn1c(CNc2ccc(N3CCCC3)c[nH+]2)nc2cc(Cl)ccc21 ZINC000443798917 1026088228 /nfs/dbraw/zinc/08/82/28/1026088228.db2.gz IRJFCSNWGFSQBH-UHFFFAOYSA-N 1 2 341.846 3.834 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001143589938 1026090878 /nfs/dbraw/zinc/09/08/78/1026090878.db2.gz JUJBYWOIMXQZEF-UHFFFAOYSA-N 1 2 334.435 3.719 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001143589938 1026090897 /nfs/dbraw/zinc/09/08/97/1026090897.db2.gz JUJBYWOIMXQZEF-UHFFFAOYSA-N 1 2 334.435 3.719 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000451545613 1026093648 /nfs/dbraw/zinc/09/36/48/1026093648.db2.gz RJENEQRUAMZPMU-HWWQOWPSSA-N 1 2 342.842 3.553 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000451545613 1026093663 /nfs/dbraw/zinc/09/36/63/1026093663.db2.gz RJENEQRUAMZPMU-HWWQOWPSSA-N 1 2 342.842 3.553 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2nc(-c3ccccc3)ns2)[nH+]c1C ZINC000895193239 1026096825 /nfs/dbraw/zinc/09/68/25/1026096825.db2.gz NOZDGWIXVJXNMS-CQSZACIVSA-N 1 2 325.441 3.887 20 0 EHADLO COc1cccc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)c1 ZINC000582392944 1026105127 /nfs/dbraw/zinc/10/51/27/1026105127.db2.gz DXPRGWMZQXGVTL-UHFFFAOYSA-N 1 2 344.308 3.982 20 0 EHADLO Cc1nn(C(C)C)cc1-c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822042 1026106346 /nfs/dbraw/zinc/10/63/46/1026106346.db2.gz YYEUZGGFKCFFMK-UHFFFAOYSA-N 1 2 348.410 3.599 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657414976 1026111142 /nfs/dbraw/zinc/11/11/42/1026111142.db2.gz XPYGXEFUDXYAHW-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1ccc(-c2nnc(COc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000530634446 1026141012 /nfs/dbraw/zinc/14/10/12/1026141012.db2.gz GDSQEBRCUNVPKD-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO Cc1cc(Br)c(F)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582423842 1026220108 /nfs/dbraw/zinc/22/01/08/1026220108.db2.gz MZMAMLVYMIUOIW-SNVBAGLBSA-N 1 2 340.196 3.683 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCC3=O)o2)cc1 ZINC000475128475 1026224574 /nfs/dbraw/zinc/22/45/74/1026224574.db2.gz ICGDLKMKLUMWDF-MOPGFXCFSA-N 1 2 339.435 3.825 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCC3=O)o2)cc1 ZINC000475128475 1026224588 /nfs/dbraw/zinc/22/45/88/1026224588.db2.gz ICGDLKMKLUMWDF-MOPGFXCFSA-N 1 2 339.435 3.825 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2F)s1 ZINC000122181618 1026264201 /nfs/dbraw/zinc/26/42/01/1026264201.db2.gz HJSPKZPQALDMKF-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2F)s1 ZINC000122181618 1026264212 /nfs/dbraw/zinc/26/42/12/1026264212.db2.gz HJSPKZPQALDMKF-GFCCVEGCSA-N 1 2 335.448 3.785 20 0 EHADLO C[C@@]1(F)CCN(c2cc(N3CC[C@](C)(F)C3)[nH+]c3cnccc32)C1 ZINC000342562709 1026290255 /nfs/dbraw/zinc/29/02/55/1026290255.db2.gz XCNKIMJQEKSQHG-MSOLQXFVSA-N 1 2 332.398 3.506 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2CCC(C)CC2)s1 ZINC000122219287 1026326661 /nfs/dbraw/zinc/32/66/61/1026326661.db2.gz CNVBKDLHKRMWDK-BLZCZZARSA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2CCC(C)CC2)s1 ZINC000122219287 1026326670 /nfs/dbraw/zinc/32/66/70/1026326670.db2.gz CNVBKDLHKRMWDK-BLZCZZARSA-N 1 2 337.533 3.702 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(OC(F)F)cc1C ZINC000582487993 1026405392 /nfs/dbraw/zinc/40/53/92/1026405392.db2.gz LUZOAKNXDYKKSI-KRWDZBQOSA-N 1 2 343.439 3.613 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(OC(F)F)cc1C ZINC000582487993 1026405396 /nfs/dbraw/zinc/40/53/96/1026405396.db2.gz LUZOAKNXDYKKSI-KRWDZBQOSA-N 1 2 343.439 3.613 20 0 EHADLO CN(Cc1ccccc1NC(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000582497227 1026428176 /nfs/dbraw/zinc/42/81/76/1026428176.db2.gz UHGJMOMFVRBLCV-UHFFFAOYSA-N 1 2 337.467 3.603 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)[nH+]c12 ZINC000530959141 1026434456 /nfs/dbraw/zinc/43/44/56/1026434456.db2.gz VNWGCMUWWMWHDG-VQIMIIECSA-N 1 2 333.435 3.590 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451997672 1026441862 /nfs/dbraw/zinc/44/18/62/1026441862.db2.gz RJELIRURRPHHDH-DGCLKSJQSA-N 1 2 344.286 3.790 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451997672 1026441860 /nfs/dbraw/zinc/44/18/60/1026441860.db2.gz RJELIRURRPHHDH-DGCLKSJQSA-N 1 2 344.286 3.790 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997674 1026441984 /nfs/dbraw/zinc/44/19/84/1026441984.db2.gz RJELIRURRPHHDH-YPMHNXCESA-N 1 2 344.286 3.790 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997674 1026441987 /nfs/dbraw/zinc/44/19/87/1026441987.db2.gz RJELIRURRPHHDH-YPMHNXCESA-N 1 2 344.286 3.790 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1cccc(C)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342608329 1026454145 /nfs/dbraw/zinc/45/41/45/1026454145.db2.gz SGWFZOFXPVBJDP-HNNXBMFYSA-N 1 2 336.439 3.840 20 0 EHADLO CC[C@H](C)[N@H+](Cc1cccc(C)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342608329 1026454152 /nfs/dbraw/zinc/45/41/52/1026454152.db2.gz SGWFZOFXPVBJDP-HNNXBMFYSA-N 1 2 336.439 3.840 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@H]2CCOC3(CCCC3)C2)no1)c1ccccc1 ZINC000897186979 1026469181 /nfs/dbraw/zinc/46/91/81/1026469181.db2.gz LUOYJUCGHOXUBR-IRXDYDNUSA-N 1 2 341.455 3.927 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000475325549 1026476712 /nfs/dbraw/zinc/47/67/12/1026476712.db2.gz VWBVHOVJZHHGGV-HNNXBMFYSA-N 1 2 329.444 3.973 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277660728 1026477455 /nfs/dbraw/zinc/47/74/55/1026477455.db2.gz OYTOSPBSSGTUEY-VOIUYBSRSA-N 1 2 343.492 3.705 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277660728 1026477459 /nfs/dbraw/zinc/47/74/59/1026477459.db2.gz OYTOSPBSSGTUEY-VOIUYBSRSA-N 1 2 343.492 3.705 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)c1 ZINC000475348388 1026498973 /nfs/dbraw/zinc/49/89/73/1026498973.db2.gz TWRVQFSVDVYEJH-VQIMIIECSA-N 1 2 344.499 3.727 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccoc1 ZINC000342629519 1026511254 /nfs/dbraw/zinc/51/12/54/1026511254.db2.gz HLIWMVPRJXZOFH-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccoc1 ZINC000342629519 1026511261 /nfs/dbraw/zinc/51/12/61/1026511261.db2.gz HLIWMVPRJXZOFH-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO O=C(c1cccnc1C(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897365382 1026598715 /nfs/dbraw/zinc/59/87/15/1026598715.db2.gz CQDJNRMYULAKPM-UHFFFAOYSA-N 1 2 348.397 3.548 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000277699030 1026608626 /nfs/dbraw/zinc/60/86/26/1026608626.db2.gz LUNNWRKJQNRZBR-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000277699030 1026608634 /nfs/dbraw/zinc/60/86/34/1026608634.db2.gz LUNNWRKJQNRZBR-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3cc4ccccc4[nH]3)c12 ZINC000301057152 1026669196 /nfs/dbraw/zinc/66/91/96/1026669196.db2.gz ADODLCCGVVUPDK-UHFFFAOYSA-N 1 2 340.390 3.909 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCCC1(F)F)C2 ZINC000452315900 1026677237 /nfs/dbraw/zinc/67/72/37/1026677237.db2.gz WIFTYIIANABHLN-CHWSQXEVSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCCC1(F)F)CC2 ZINC000452315900 1026677243 /nfs/dbraw/zinc/67/72/43/1026677243.db2.gz WIFTYIIANABHLN-CHWSQXEVSA-N 1 2 339.430 3.580 20 0 EHADLO FC(F)(F)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000301077820 1026677377 /nfs/dbraw/zinc/67/73/77/1026677377.db2.gz JQCGCAYIHOEGKD-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO Cc1cc(NCc2cccc(CN3CCCC3=O)c2)nc(C(C)C)[nH+]1 ZINC000301094975 1026683698 /nfs/dbraw/zinc/68/36/98/1026683698.db2.gz QTOCMOWJZQGEMH-UHFFFAOYSA-N 1 2 338.455 3.643 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000020542018 1026722727 /nfs/dbraw/zinc/72/27/27/1026722727.db2.gz LZZGYAKLYYPAIN-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO COC[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301231817 1026732363 /nfs/dbraw/zinc/73/23/63/1026732363.db2.gz BBEFMVJRVQSDLR-GFCCVEGCSA-N 1 2 335.245 3.860 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000578067553 1026736557 /nfs/dbraw/zinc/73/65/57/1026736557.db2.gz UNOCQVULIQQACB-SWLSCSKDSA-N 1 2 342.302 3.718 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000578067553 1026736565 /nfs/dbraw/zinc/73/65/65/1026736565.db2.gz UNOCQVULIQQACB-SWLSCSKDSA-N 1 2 342.302 3.718 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452418821 1026737539 /nfs/dbraw/zinc/73/75/39/1026737539.db2.gz KSCSYFMBKGFHOW-RBUKOAKNSA-N 1 2 339.483 3.807 20 0 EHADLO COc1cc(NC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1 ZINC000152883193 1026770148 /nfs/dbraw/zinc/77/01/48/1026770148.db2.gz WBSJNFDJJMEENS-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO COc1cccc(-c2noc(NCc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000301368748 1026779161 /nfs/dbraw/zinc/77/91/61/1026779161.db2.gz OSDUAHZRUKWARK-UHFFFAOYSA-N 1 2 347.378 3.543 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)c1ccccc1 ZINC000531324187 1026811878 /nfs/dbraw/zinc/81/18/78/1026811878.db2.gz PXPXLYQUOSLUSY-DLBZAZTESA-N 1 2 333.435 3.853 20 0 EHADLO c1ccc(-n2nc(C[NH2+][C@H]3CCCc4cccnc43)c3c2CCC3)cc1 ZINC000684953385 1026836110 /nfs/dbraw/zinc/83/61/10/1026836110.db2.gz LZYKVVNALDFESM-IBGZPJMESA-N 1 2 344.462 3.923 20 0 EHADLO Cc1nc2ncnn2c(Nc2ccc([NH+]3CCC(C)CC3)cc2)c1C ZINC000301520301 1026836832 /nfs/dbraw/zinc/83/68/32/1026836832.db2.gz DANDFXCXFKKQOZ-UHFFFAOYSA-N 1 2 336.443 3.721 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000684964989 1026872007 /nfs/dbraw/zinc/87/20/07/1026872007.db2.gz CHZZIPYEPSNIRM-RYUDHWBXSA-N 1 2 343.315 3.945 20 0 EHADLO CCc1cc2c(ncnc2N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000301653447 1026888525 /nfs/dbraw/zinc/88/85/25/1026888525.db2.gz UIUFXLCWLUBPPE-WFASDCNBSA-N 1 2 327.457 3.538 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277775041 1026890113 /nfs/dbraw/zinc/89/01/13/1026890113.db2.gz DWCVTMWUDCOOLF-YFCVBGDOSA-N 1 2 349.356 3.686 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301739869 1026921383 /nfs/dbraw/zinc/92/13/83/1026921383.db2.gz UAHSBNPPDOGTGJ-GFCCVEGCSA-N 1 2 348.903 3.952 20 0 EHADLO Cc1cc(NCCCCNc2cccc[nH+]2)ncc1Br ZINC000301814019 1026949166 /nfs/dbraw/zinc/94/91/66/1026949166.db2.gz GBUMDFKXDBOIDX-UHFFFAOYSA-N 1 2 335.249 3.852 20 0 EHADLO CN(C)c1cc(CNc2cc(NCC3CC3)[nH+]cn2)c2ccccc2n1 ZINC000301819249 1026950503 /nfs/dbraw/zinc/95/05/03/1026950503.db2.gz IVQRJVVLNFYYGX-UHFFFAOYSA-N 1 2 348.454 3.525 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(-n2cccn2)cc1 ZINC000301825511 1026954772 /nfs/dbraw/zinc/95/47/72/1026954772.db2.gz MGWWEMULJCPORY-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301825511 1026954777 /nfs/dbraw/zinc/95/47/77/1026954777.db2.gz MGWWEMULJCPORY-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+](C)Cc1nnc2ccccn21 ZINC000079442170 1026955158 /nfs/dbraw/zinc/95/51/58/1026955158.db2.gz LMXUUDIJZIUGSX-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000079442170 1026955162 /nfs/dbraw/zinc/95/51/62/1026955162.db2.gz LMXUUDIJZIUGSX-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO COc1ccc([C@@H](C)N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301854398 1026965840 /nfs/dbraw/zinc/96/58/40/1026965840.db2.gz BNONIZBLJLQPSZ-CYBMUJFWSA-N 1 2 339.443 3.787 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1ccccc1F ZINC000301857536 1026967350 /nfs/dbraw/zinc/96/73/50/1026967350.db2.gz CKMKORJMUOQAQT-GFCCVEGCSA-N 1 2 343.406 3.600 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000255522665 1026976851 /nfs/dbraw/zinc/97/68/51/1026976851.db2.gz GYXZZKWSKDJNBX-RAXLEYEMSA-N 1 2 335.432 3.795 20 0 EHADLO CC(C)c1cc(N[C@H](C)C(=O)NCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000301890145 1026981813 /nfs/dbraw/zinc/98/18/13/1026981813.db2.gz SWOOJNBUJMMSIH-OAHLLOKOSA-N 1 2 340.471 3.840 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301898899 1026985961 /nfs/dbraw/zinc/98/59/61/1026985961.db2.gz XIRDPJNHHPFYRV-CYBMUJFWSA-N 1 2 349.438 3.809 20 0 EHADLO CCS[C@H]1CCCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903583 1026987035 /nfs/dbraw/zinc/98/70/35/1026987035.db2.gz XKJMAXVPLLDOFO-ZDUSSCGKSA-N 1 2 333.505 3.693 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301937546 1027001630 /nfs/dbraw/zinc/00/16/30/1027001630.db2.gz SBLGVFCLLFXZCR-HUUCEWRRSA-N 1 2 345.491 3.611 20 0 EHADLO Cc1c[nH+]c(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)n1C ZINC000342777418 1027015714 /nfs/dbraw/zinc/01/57/14/1027015714.db2.gz HJINPJRXPKELGJ-MRXNPFEDSA-N 1 2 333.863 3.734 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H]1CCCC1(F)F)Cc1ccccc1Cl ZINC000452811519 1027016591 /nfs/dbraw/zinc/01/65/91/1027016591.db2.gz FXVZRWTZLOQMEH-AWEZNQCLSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H]1CCCC1(F)F)Cc1ccccc1Cl ZINC000452811519 1027016598 /nfs/dbraw/zinc/01/65/98/1027016598.db2.gz FXVZRWTZLOQMEH-AWEZNQCLSA-N 1 2 344.833 3.714 20 0 EHADLO CC(C)(C)c1ccc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000452826745 1027045097 /nfs/dbraw/zinc/04/50/97/1027045097.db2.gz GWFWILQXRMSNEF-UHFFFAOYSA-N 1 2 339.483 3.977 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000302077095 1027046276 /nfs/dbraw/zinc/04/62/76/1027046276.db2.gz WOIZQSARUAQTKK-ZBFHGGJFSA-N 1 2 345.491 3.977 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c2c([nH+]1)CCCC2 ZINC000302103559 1027053268 /nfs/dbraw/zinc/05/32/68/1027053268.db2.gz QWYXEVKNPXVDLA-ORAYPTAESA-N 1 2 341.430 3.769 20 0 EHADLO CCc1cc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)nc(C)[nH+]1 ZINC000302106293 1027055254 /nfs/dbraw/zinc/05/52/54/1027055254.db2.gz SARZSXWUDIHENR-SFHVURJKSA-N 1 2 329.419 3.672 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)N(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302126968 1027061551 /nfs/dbraw/zinc/06/15/51/1027061551.db2.gz ISVGNMKTLKEAPR-XJKSGUPXSA-N 1 2 336.443 3.564 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)n1 ZINC000925246617 1027063722 /nfs/dbraw/zinc/06/37/22/1027063722.db2.gz MJWDKONDRFUNSO-AWEZNQCLSA-N 1 2 328.460 3.554 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000302181749 1027081387 /nfs/dbraw/zinc/08/13/87/1027081387.db2.gz QYGQQJJRFPHCSJ-KDOFPFPSSA-N 1 2 340.423 3.781 20 0 EHADLO Cc1ccc([C@@H]2CCN(c3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000302190853 1027084306 /nfs/dbraw/zinc/08/43/06/1027084306.db2.gz VNNKPJGKSBBOAO-MRXNPFEDSA-N 1 2 335.455 3.884 20 0 EHADLO Cc1nc(NC[C@@](C)(O)c2ccccc2Cl)c2c([nH+]1)CCCC2 ZINC000302192417 1027084627 /nfs/dbraw/zinc/08/46/27/1027084627.db2.gz ZUEXJLKSRNWVBI-GOSISDBHSA-N 1 2 331.847 3.637 20 0 EHADLO CC[C@@](C)(OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000280760730 1027091868 /nfs/dbraw/zinc/09/18/68/1027091868.db2.gz ODUPQAUQDSBGMN-LJQANCHMSA-N 1 2 327.428 3.640 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000125856359 1027133845 /nfs/dbraw/zinc/13/38/45/1027133845.db2.gz VALHNJDEBRXNJK-DZGCQCFKSA-N 1 2 325.437 3.821 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(F)cc3F)C2)nc(C(C)C)[nH+]1 ZINC000302394344 1027138594 /nfs/dbraw/zinc/13/85/94/1027138594.db2.gz ITYGAHFXUYAKAO-INIZCTEOSA-N 1 2 333.382 3.765 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272846527 1027145996 /nfs/dbraw/zinc/14/59/96/1027145996.db2.gz ZISRHDRLDDILJD-KSSFIOAISA-N 1 2 345.418 3.791 20 0 EHADLO CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075532104 1027146387 /nfs/dbraw/zinc/14/63/87/1027146387.db2.gz JROFNBBWDLERQT-IJDCCNJMSA-N 1 2 339.439 3.616 20 0 EHADLO O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551198 1027168721 /nfs/dbraw/zinc/16/87/21/1027168721.db2.gz WCLKBGLGMSBMSO-CQSZACIVSA-N 1 2 338.436 3.553 20 0 EHADLO C[C@@H]1C[C@@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141446 1027198601 /nfs/dbraw/zinc/19/86/01/1027198601.db2.gz JJOAWKGIVMIJDM-PBHICJAKSA-N 1 2 343.446 3.807 20 0 EHADLO C[C@@H]1C[C@@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141446 1027198618 /nfs/dbraw/zinc/19/86/18/1027198618.db2.gz JJOAWKGIVMIJDM-PBHICJAKSA-N 1 2 343.446 3.807 20 0 EHADLO COc1cccc2c(NC[C@](C)(O)c3ccc(F)cc3)cc[nH+]c12 ZINC000302573167 1027201908 /nfs/dbraw/zinc/20/19/08/1027201908.db2.gz ZPXRHDSQSKMLJU-IBGZPJMESA-N 1 2 326.371 3.702 20 0 EHADLO COc1cccc2c(N[C@@H]3CCN(c4ccccn4)C3)c(C)c[nH+]c12 ZINC000302622006 1027216135 /nfs/dbraw/zinc/21/61/35/1027216135.db2.gz HBBFNQJDTJWULA-OAHLLOKOSA-N 1 2 334.423 3.638 20 0 EHADLO Clc1cccc2c1CC[N@H+](CCNc1nnc(C3CC3)s1)C2 ZINC000302621256 1027216447 /nfs/dbraw/zinc/21/64/47/1027216447.db2.gz DOWOBNHNCWVUSX-UHFFFAOYSA-N 1 2 334.876 3.539 20 0 EHADLO Clc1cccc2c1CC[N@@H+](CCNc1nnc(C3CC3)s1)C2 ZINC000302621256 1027216453 /nfs/dbraw/zinc/21/64/53/1027216453.db2.gz DOWOBNHNCWVUSX-UHFFFAOYSA-N 1 2 334.876 3.539 20 0 EHADLO CC1(C)CN(c2cc(NCC3CC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000302659463 1027226814 /nfs/dbraw/zinc/22/68/14/1027226814.db2.gz DQGXHUOUIJXRQO-LBPRGKRZSA-N 1 2 328.382 3.713 20 0 EHADLO CC1(C)CN(c2cc(NCC3CC3)nc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000302659463 1027226827 /nfs/dbraw/zinc/22/68/27/1027226827.db2.gz DQGXHUOUIJXRQO-LBPRGKRZSA-N 1 2 328.382 3.713 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@@]1=O ZINC000342806046 1027240773 /nfs/dbraw/zinc/24/07/73/1027240773.db2.gz IJABHGXDSRBRCK-FPTDNZKUSA-N 1 2 333.884 3.960 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@@]1=O ZINC000342806046 1027240788 /nfs/dbraw/zinc/24/07/88/1027240788.db2.gz IJABHGXDSRBRCK-FPTDNZKUSA-N 1 2 333.884 3.960 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3ccccc3Cl)CC2)c[nH+]1 ZINC000897287731 1027241226 /nfs/dbraw/zinc/24/12/26/1027241226.db2.gz HESIPXLPSHXCLH-UHFFFAOYSA-N 1 2 343.858 3.896 20 0 EHADLO Cc1nnc(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)n1C1CC1 ZINC000126860547 1027247303 /nfs/dbraw/zinc/24/73/03/1027247303.db2.gz GSXFDDFETMSMBA-SFHVURJKSA-N 1 2 339.487 3.852 20 0 EHADLO Cc1nnc(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)n1C1CC1 ZINC000126860547 1027247320 /nfs/dbraw/zinc/24/73/20/1027247320.db2.gz GSXFDDFETMSMBA-SFHVURJKSA-N 1 2 339.487 3.852 20 0 EHADLO C[C@@]1(F)CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428757 1027276758 /nfs/dbraw/zinc/27/67/58/1027276758.db2.gz UNYJKYCGLZQCBL-TZIWHRDSSA-N 1 2 340.442 3.521 20 0 EHADLO C[C@@]1(F)CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428757 1027276772 /nfs/dbraw/zinc/27/67/72/1027276772.db2.gz UNYJKYCGLZQCBL-TZIWHRDSSA-N 1 2 340.442 3.521 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127142147 1027279521 /nfs/dbraw/zinc/27/95/21/1027279521.db2.gz MNJGIRMZUZEKIJ-CQSZACIVSA-N 1 2 331.803 3.729 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)s1 ZINC000302777955 1027286764 /nfs/dbraw/zinc/28/67/64/1027286764.db2.gz GNRANBRUCSEQMB-ZDUSSCGKSA-N 1 2 334.464 3.684 20 0 EHADLO CN(Cc1ccccc1C(F)(F)F)c1cc(N2CCCC2)[nH+]cn1 ZINC000302782040 1027288189 /nfs/dbraw/zinc/28/81/89/1027288189.db2.gz JYXORXHHCPODNS-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO CN(Cc1ccccc1C(F)(F)F)c1cc(N2CCCC2)nc[nH+]1 ZINC000302782040 1027288203 /nfs/dbraw/zinc/28/82/03/1027288203.db2.gz JYXORXHHCPODNS-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302793462 1027294181 /nfs/dbraw/zinc/29/41/81/1027294181.db2.gz NGLNFFCXMRBYNJ-AWEZNQCLSA-N 1 2 330.432 3.865 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302793462 1027294196 /nfs/dbraw/zinc/29/41/96/1027294196.db2.gz NGLNFFCXMRBYNJ-AWEZNQCLSA-N 1 2 330.432 3.865 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(N5CCCC5)[nH+]cn4)C3)nc2c1 ZINC000302805072 1027303228 /nfs/dbraw/zinc/30/32/28/1027303228.db2.gz WMLLZQRLHJAQPN-HNNXBMFYSA-N 1 2 349.438 3.602 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(N5CCCC5)nc[nH+]4)C3)nc2c1 ZINC000302805072 1027303246 /nfs/dbraw/zinc/30/32/46/1027303246.db2.gz WMLLZQRLHJAQPN-HNNXBMFYSA-N 1 2 349.438 3.602 20 0 EHADLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(OC)cc1)c1ccncc1 ZINC000453063368 1027313992 /nfs/dbraw/zinc/31/39/92/1027313992.db2.gz FOBHCGNOMRXRFE-MOPGFXCFSA-N 1 2 336.439 3.654 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657569068 1027326196 /nfs/dbraw/zinc/32/61/96/1027326196.db2.gz LDWJARJCPNHCIH-KBXCAEBGSA-N 1 2 334.423 3.749 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)C2CC2)c(C)c1 ZINC000536561781 1027351005 /nfs/dbraw/zinc/35/10/05/1027351005.db2.gz VNIPCUHMPYWZSB-SFHVURJKSA-N 1 2 340.471 3.729 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302904962 1027356850 /nfs/dbraw/zinc/35/68/50/1027356850.db2.gz SGVDWORHDWVNRV-OAHLLOKOSA-N 1 2 326.444 3.519 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302904962 1027356861 /nfs/dbraw/zinc/35/68/61/1027356861.db2.gz SGVDWORHDWVNRV-OAHLLOKOSA-N 1 2 326.444 3.519 20 0 EHADLO FC(F)(F)Cc1noc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1 ZINC000072608750 1027363282 /nfs/dbraw/zinc/36/32/82/1027363282.db2.gz KOMOFHWWYUPBSH-OAHLLOKOSA-N 1 2 325.334 3.805 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnc4n3CCCC4)c(C)c2c1 ZINC000273314297 1027372817 /nfs/dbraw/zinc/37/28/17/1027372817.db2.gz PQSABVSODAGVRC-CYBMUJFWSA-N 1 2 340.427 3.528 20 0 EHADLO CC(C)(C)C(=O)CCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000453113723 1027383186 /nfs/dbraw/zinc/38/31/86/1027383186.db2.gz FXKUUPLSUKFPAE-UHFFFAOYSA-N 1 2 338.411 3.860 20 0 EHADLO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@H]1CCCCO1 ZINC000128340850 1027421636 /nfs/dbraw/zinc/42/16/36/1027421636.db2.gz TXLYSAPIBFYOKG-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO CCC[N@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@H]1CCCCO1 ZINC000128340850 1027421654 /nfs/dbraw/zinc/42/16/54/1027421654.db2.gz TXLYSAPIBFYOKG-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)c(C)c[nH+]1 ZINC000536574274 1027444439 /nfs/dbraw/zinc/44/44/39/1027444439.db2.gz ABZGHJCLLAHBMA-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3C=CCCC3)n2)C1 ZINC000531810223 1027452558 /nfs/dbraw/zinc/45/25/58/1027452558.db2.gz STPZVWRMMHMPLH-ZIAGYGMSSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3C=CCCC3)n2)C1 ZINC000531810223 1027452569 /nfs/dbraw/zinc/45/25/69/1027452569.db2.gz STPZVWRMMHMPLH-ZIAGYGMSSA-N 1 2 334.489 3.605 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975187 1027507174 /nfs/dbraw/zinc/50/71/74/1027507174.db2.gz HMVRNRGORFAMDM-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975187 1027507189 /nfs/dbraw/zinc/50/71/89/1027507189.db2.gz HMVRNRGORFAMDM-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)s1 ZINC000273659260 1027543124 /nfs/dbraw/zinc/54/31/24/1027543124.db2.gz XQZQBIFJCCSODI-ZDUSSCGKSA-N 1 2 340.452 3.671 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1OC ZINC000314768018 1027569123 /nfs/dbraw/zinc/56/91/23/1027569123.db2.gz ALDSSUQAEQFRGY-DGCLKSJQSA-N 1 2 334.441 3.740 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1OC ZINC000314768045 1027569180 /nfs/dbraw/zinc/56/91/80/1027569180.db2.gz ALDSSUQAEQFRGY-YPMHNXCESA-N 1 2 334.441 3.740 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(Cc3cccc4ccccc43)no2)C1 ZINC000420479525 1027573918 /nfs/dbraw/zinc/57/39/18/1027573918.db2.gz GQRPQBJZWCIVHS-SFHVURJKSA-N 1 2 337.423 3.595 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(Cc3cccc4ccccc43)no2)C1 ZINC000420479525 1027573932 /nfs/dbraw/zinc/57/39/32/1027573932.db2.gz GQRPQBJZWCIVHS-SFHVURJKSA-N 1 2 337.423 3.595 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000129623833 1027583198 /nfs/dbraw/zinc/58/31/98/1027583198.db2.gz YFAIBEPKGHKFAY-HNNXBMFYSA-N 1 2 344.480 3.666 20 0 EHADLO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000657607111 1027617102 /nfs/dbraw/zinc/61/71/02/1027617102.db2.gz CBEWLPCFVJQIGP-UHFFFAOYSA-N 1 2 348.859 3.623 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001211899582 1027624337 /nfs/dbraw/zinc/62/43/37/1027624337.db2.gz DBUGQSLKUHJWNY-UHFFFAOYSA-N 1 2 346.164 3.751 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000130085285 1027630583 /nfs/dbraw/zinc/63/05/83/1027630583.db2.gz VFDGGGVHZYYPCO-CQSZACIVSA-N 1 2 346.521 3.989 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000130314025 1027657234 /nfs/dbraw/zinc/65/72/34/1027657234.db2.gz DDDISFJRQJSNIP-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO COCc1cc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)no1 ZINC000459331526 1027670518 /nfs/dbraw/zinc/67/05/18/1027670518.db2.gz UJJFBSQLSSXUEP-CYBMUJFWSA-N 1 2 338.810 3.821 20 0 EHADLO COCc1cc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)no1 ZINC000459331526 1027670529 /nfs/dbraw/zinc/67/05/29/1027670529.db2.gz UJJFBSQLSSXUEP-CYBMUJFWSA-N 1 2 338.810 3.821 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000614782223 1027671115 /nfs/dbraw/zinc/67/11/15/1027671115.db2.gz IPJGXPWXDJRAKC-ZACQAIPSSA-N 1 2 345.874 3.733 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000078344764 1027691207 /nfs/dbraw/zinc/69/12/07/1027691207.db2.gz BAVYZFYHUIOXBP-UHFFFAOYSA-N 1 2 333.435 3.545 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=C(c2cccc3ccccc32)C1 ZINC000582788445 1027701115 /nfs/dbraw/zinc/70/11/15/1027701115.db2.gz ILWNWEKZQHCYOS-SFHVURJKSA-N 1 2 343.430 3.525 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=C(c2cccc3ccccc32)C1 ZINC000582788443 1027701138 /nfs/dbraw/zinc/70/11/38/1027701138.db2.gz ILWNWEKZQHCYOS-GOSISDBHSA-N 1 2 343.430 3.525 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCSc3ccccc32)cc(C)[nH+]1 ZINC000420759912 1027715594 /nfs/dbraw/zinc/71/55/94/1027715594.db2.gz JHRGEFGTFFCGLZ-MRXNPFEDSA-N 1 2 327.453 3.735 20 0 EHADLO CCOC(=O)c1csc2cc(NCc3cc[nH+]c(N)c3)ccc12 ZINC001167617927 1027731748 /nfs/dbraw/zinc/73/17/48/1027731748.db2.gz AJWWIXHWFJZIKH-UHFFFAOYSA-N 1 2 327.409 3.667 20 0 EHADLO Cc1cc(CNC(=O)NCCCSc2ccc(F)cc2)cc(C)[nH+]1 ZINC000420766381 1027734451 /nfs/dbraw/zinc/73/44/51/1027734451.db2.gz FYGKLOSHCBXREG-UHFFFAOYSA-N 1 2 347.459 3.819 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccsc1 ZINC000888981910 1027751441 /nfs/dbraw/zinc/75/14/41/1027751441.db2.gz YMLYQHBPNVBYEF-BPUTZDHNSA-N 1 2 344.484 3.927 20 0 EHADLO CCCCOc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420790375 1027751961 /nfs/dbraw/zinc/75/19/61/1027751961.db2.gz FQRSBAGPTRYCGU-UHFFFAOYSA-N 1 2 341.455 3.877 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000131357803 1027768795 /nfs/dbraw/zinc/76/87/95/1027768795.db2.gz GRZUUGOWYNXMSW-OAHLLOKOSA-N 1 2 344.528 3.989 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000131357803 1027768808 /nfs/dbraw/zinc/76/88/08/1027768808.db2.gz GRZUUGOWYNXMSW-OAHLLOKOSA-N 1 2 344.528 3.989 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420840181 1027780614 /nfs/dbraw/zinc/78/06/14/1027780614.db2.gz AECHKZZRUOQZDS-IBGZPJMESA-N 1 2 339.439 3.754 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c(C)n1C ZINC000533386966 1027786530 /nfs/dbraw/zinc/78/65/30/1027786530.db2.gz LMGHMBBPAGQVPF-INIZCTEOSA-N 1 2 331.485 3.599 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c(C)n1C ZINC000533386966 1027786547 /nfs/dbraw/zinc/78/65/47/1027786547.db2.gz LMGHMBBPAGQVPF-INIZCTEOSA-N 1 2 331.485 3.599 20 0 EHADLO Cc1cnc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)n1C ZINC000414475409 1027787400 /nfs/dbraw/zinc/78/74/00/1027787400.db2.gz HCELHADOWGBDHI-UHFFFAOYSA-N 1 2 331.463 3.725 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000509967765 1027818399 /nfs/dbraw/zinc/81/83/99/1027818399.db2.gz JRUKTHMRPQBVKN-IYARVYRRSA-N 1 2 349.409 3.747 20 0 EHADLO O=[N+]([O-])c1cccc([C@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000305177302 1027822437 /nfs/dbraw/zinc/82/24/37/1027822437.db2.gz MCBYKOUMUZMIGI-GOSISDBHSA-N 1 2 342.351 3.517 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000420909139 1027853596 /nfs/dbraw/zinc/85/35/96/1027853596.db2.gz YIBCSQDTBLXEIQ-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2nc3ccccc3s2)c2ccccc2)cn1 ZINC000359954958 1027884868 /nfs/dbraw/zinc/88/48/68/1027884868.db2.gz AFXYGRZBIYWJMB-LJQANCHMSA-N 1 2 334.448 3.909 20 0 EHADLO COCCc1noc(C[N@H+](C)Cc2ccc(Cl)c3ccccc23)n1 ZINC000420932861 1027886517 /nfs/dbraw/zinc/88/65/17/1027886517.db2.gz HSVJEMRPRQTKBV-UHFFFAOYSA-N 1 2 345.830 3.697 20 0 EHADLO COCCc1noc(C[N@@H+](C)Cc2ccc(Cl)c3ccccc23)n1 ZINC000420932861 1027886538 /nfs/dbraw/zinc/88/65/38/1027886538.db2.gz HSVJEMRPRQTKBV-UHFFFAOYSA-N 1 2 345.830 3.697 20 0 EHADLO Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1Cl ZINC000132292535 1027906059 /nfs/dbraw/zinc/90/60/59/1027906059.db2.gz BTUNTQBVBDQIQL-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c[nH+]1 ZINC000536618245 1027936216 /nfs/dbraw/zinc/93/62/16/1027936216.db2.gz HKCZIRQWAABROW-CHWSQXEVSA-N 1 2 329.366 3.611 20 0 EHADLO COCc1cc(C[NH2+]C(C)(C)c2ccc(Br)cc2)no1 ZINC000459366351 1028003563 /nfs/dbraw/zinc/00/35/63/1028003563.db2.gz CFBBYLYSJXKYPC-UHFFFAOYSA-N 1 2 339.233 3.608 20 0 EHADLO C[N@H+](Cc1nc(CCc2ccccc2)no1)C1CC(OC(C)(C)C)C1 ZINC000421020121 1028006153 /nfs/dbraw/zinc/00/61/53/1028006153.db2.gz ZCPLWQDQWQNSQO-UHFFFAOYSA-N 1 2 343.471 3.633 20 0 EHADLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)C1CC(OC(C)(C)C)C1 ZINC000421020121 1028006174 /nfs/dbraw/zinc/00/61/74/1028006174.db2.gz ZCPLWQDQWQNSQO-UHFFFAOYSA-N 1 2 343.471 3.633 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nccc(OC)c2F)cc1OCC ZINC000657673120 1028007110 /nfs/dbraw/zinc/00/71/10/1028007110.db2.gz MQLCIOPSOAKYEP-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO O=C(Cc1cccc(O)c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444532539 1028013229 /nfs/dbraw/zinc/01/32/29/1028013229.db2.gz AARQRRZSLXKMPA-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO COCCCCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000532684083 1028017279 /nfs/dbraw/zinc/01/72/79/1028017279.db2.gz TVRVXXFYHCHRPI-OAHLLOKOSA-N 1 2 348.270 3.956 20 0 EHADLO COCCCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000532684083 1028017298 /nfs/dbraw/zinc/01/72/98/1028017298.db2.gz TVRVXXFYHCHRPI-OAHLLOKOSA-N 1 2 348.270 3.956 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000367150596 1028024558 /nfs/dbraw/zinc/02/45/58/1028024558.db2.gz HNBQKQUKIQXHDQ-KRWDZBQOSA-N 1 2 347.846 3.506 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000367150596 1028024569 /nfs/dbraw/zinc/02/45/69/1028024569.db2.gz HNBQKQUKIQXHDQ-KRWDZBQOSA-N 1 2 347.846 3.506 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000513739522 1028025926 /nfs/dbraw/zinc/02/59/26/1028025926.db2.gz JGJWSLKYVJVKEV-WBVHZDCISA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533532358 1028026999 /nfs/dbraw/zinc/02/69/99/1028026999.db2.gz KCHUMFYVSVIQBG-OAHLLOKOSA-N 1 2 338.451 3.901 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533532358 1028027017 /nfs/dbraw/zinc/02/70/17/1028027017.db2.gz KCHUMFYVSVIQBG-OAHLLOKOSA-N 1 2 338.451 3.901 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)c1 ZINC000513739485 1028028166 /nfs/dbraw/zinc/02/81/66/1028028166.db2.gz ITLZGGOUTUDYSO-FUHWJXTLSA-N 1 2 344.499 3.727 20 0 EHADLO CCCNc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000434141785 1028060788 /nfs/dbraw/zinc/06/07/88/1028060788.db2.gz MXSBGGDWNCBXRF-UHFFFAOYSA-N 1 2 337.427 3.786 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(F)ccc2OCC2CC2)cc(C)[nH+]1 ZINC000421114582 1028099655 /nfs/dbraw/zinc/09/96/55/1028099655.db2.gz VPRPWFWEJGBCQN-UHFFFAOYSA-N 1 2 343.402 3.948 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000444689099 1028159304 /nfs/dbraw/zinc/15/93/04/1028159304.db2.gz FEQRTXIJUNTFHY-VXGBXAGGSA-N 1 2 335.370 3.578 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000444689099 1028159313 /nfs/dbraw/zinc/15/93/13/1028159313.db2.gz FEQRTXIJUNTFHY-VXGBXAGGSA-N 1 2 335.370 3.578 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(C)n1C1CC1 ZINC000444693369 1028167531 /nfs/dbraw/zinc/16/75/31/1028167531.db2.gz OITWQERYXJMVJO-ZDUSSCGKSA-N 1 2 328.378 3.897 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(C)n1C1CC1 ZINC000444693369 1028167542 /nfs/dbraw/zinc/16/75/42/1028167542.db2.gz OITWQERYXJMVJO-ZDUSSCGKSA-N 1 2 328.378 3.897 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000135170858 1028171911 /nfs/dbraw/zinc/17/19/11/1028171911.db2.gz MNZYFNPVCDLSNJ-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1ccc(F)cc1Br ZINC000444697440 1028173186 /nfs/dbraw/zinc/17/31/86/1028173186.db2.gz KISXLAIENUVQTC-HNNXBMFYSA-N 1 2 346.240 3.563 20 0 EHADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc(F)cc1Br ZINC000444697440 1028173193 /nfs/dbraw/zinc/17/31/93/1028173193.db2.gz KISXLAIENUVQTC-HNNXBMFYSA-N 1 2 346.240 3.563 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1cc(F)cc(F)c1 ZINC000444701587 1028177400 /nfs/dbraw/zinc/17/74/00/1028177400.db2.gz HLZFRYVXJDUSGI-CRAIPNDOSA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1cc(F)cc(F)c1 ZINC000444701587 1028177410 /nfs/dbraw/zinc/17/74/10/1028177410.db2.gz HLZFRYVXJDUSGI-CRAIPNDOSA-N 1 2 336.426 3.578 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000444737338 1028204051 /nfs/dbraw/zinc/20/40/51/1028204051.db2.gz BOPMJNQUXWLRTK-ZDUSSCGKSA-N 1 2 325.387 3.714 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000444737338 1028204056 /nfs/dbraw/zinc/20/40/56/1028204056.db2.gz BOPMJNQUXWLRTK-ZDUSSCGKSA-N 1 2 325.387 3.714 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(F)F ZINC000454273414 1028246607 /nfs/dbraw/zinc/24/66/07/1028246607.db2.gz HCMIVHCWBQYVBP-CMPLNLGQSA-N 1 2 346.447 3.540 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(F)F ZINC000454273414 1028246627 /nfs/dbraw/zinc/24/66/27/1028246627.db2.gz HCMIVHCWBQYVBP-CMPLNLGQSA-N 1 2 346.447 3.540 20 0 EHADLO COC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000455486487 1028255100 /nfs/dbraw/zinc/25/51/00/1028255100.db2.gz KQEMBSFPQMLWNG-MRXNPFEDSA-N 1 2 349.381 3.794 20 0 EHADLO CC[C@@H]1C[C@]1([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C)c1 ZINC000502484320 1028257420 /nfs/dbraw/zinc/25/74/20/1028257420.db2.gz XSKRIIAARLKPDW-MLGOLLRUSA-N 1 2 339.361 3.898 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000523408642 1028275174 /nfs/dbraw/zinc/27/51/74/1028275174.db2.gz CESGLMZGHDSXBZ-INIZCTEOSA-N 1 2 325.456 3.927 20 0 EHADLO COCCOc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1OC ZINC000423216220 1028281941 /nfs/dbraw/zinc/28/19/41/1028281941.db2.gz ODMLPKZQDXQQIA-AWEZNQCLSA-N 1 2 342.439 3.862 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1OCCC(C)C ZINC000423221139 1028288532 /nfs/dbraw/zinc/28/85/32/1028288532.db2.gz WIXXGHYHCYSMCT-INIZCTEOSA-N 1 2 333.457 3.515 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000455513477 1028291450 /nfs/dbraw/zinc/29/14/50/1028291450.db2.gz IPVBNYVSSRXCHB-GUYCJALGSA-N 1 2 345.468 3.892 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)nn1C ZINC000421336672 1028304664 /nfs/dbraw/zinc/30/46/64/1028304664.db2.gz XGNBSIORBVRGMF-GFCCVEGCSA-N 1 2 325.840 3.848 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533680762 1028308715 /nfs/dbraw/zinc/30/87/15/1028308715.db2.gz DLNDAQFMHLOBHU-NVXWUHKLSA-N 1 2 326.843 3.921 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533680762 1028308733 /nfs/dbraw/zinc/30/87/33/1028308733.db2.gz DLNDAQFMHLOBHU-NVXWUHKLSA-N 1 2 326.843 3.921 20 0 EHADLO CC[C@@H]1C[C@]1([NH2+]Cc1csc(NC(C)=O)n1)c1cccc(C)c1 ZINC000502541269 1028323071 /nfs/dbraw/zinc/32/30/71/1028323071.db2.gz JMSJCWUPDOQHDM-RDTXWAMCSA-N 1 2 329.469 3.825 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(Cl)c1F ZINC000056550842 1028330935 /nfs/dbraw/zinc/33/09/35/1028330935.db2.gz QWWSNDCGXSGDNO-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894864 1028344488 /nfs/dbraw/zinc/34/44/88/1028344488.db2.gz NBCFHJVOEAUXNS-CQSZACIVSA-N 1 2 340.452 3.836 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000056817221 1028344709 /nfs/dbraw/zinc/34/47/09/1028344709.db2.gz PJVYIUQIVUYQAU-DLBZAZTESA-N 1 2 340.471 3.557 20 0 EHADLO COCc1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)no1 ZINC000459375079 1028350297 /nfs/dbraw/zinc/35/02/97/1028350297.db2.gz JRIUEIUHXAYDRM-UHFFFAOYSA-N 1 2 326.318 3.619 20 0 EHADLO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423361751 1028389889 /nfs/dbraw/zinc/38/98/89/1028389889.db2.gz XIZJXQRQXBWSNM-MOPGFXCFSA-N 1 2 336.414 3.888 20 0 EHADLO O[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CC2 ZINC000428382387 1028391254 /nfs/dbraw/zinc/39/12/54/1028391254.db2.gz RKSRFOKZNPYYAI-LBPRGKRZSA-N 1 2 339.279 3.681 20 0 EHADLO O[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CC2 ZINC000428382387 1028391265 /nfs/dbraw/zinc/39/12/65/1028391265.db2.gz RKSRFOKZNPYYAI-LBPRGKRZSA-N 1 2 339.279 3.681 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000139898394 1028393059 /nfs/dbraw/zinc/39/30/59/1028393059.db2.gz XCATWNBCDXPRAF-UHFFFAOYSA-N 1 2 342.226 3.654 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000139898394 1028393074 /nfs/dbraw/zinc/39/30/74/1028393074.db2.gz XCATWNBCDXPRAF-UHFFFAOYSA-N 1 2 342.226 3.654 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCn2ccnc21 ZINC000655762749 1028398681 /nfs/dbraw/zinc/39/86/81/1028398681.db2.gz IMHLTFRQMJMHKW-KBPBESRZSA-N 1 2 348.244 3.594 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000504092111 1028400804 /nfs/dbraw/zinc/40/08/04/1028400804.db2.gz MKVKDQVLEYHIJF-UHFFFAOYSA-N 1 2 346.515 3.553 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000069069323 1028417522 /nfs/dbraw/zinc/41/75/22/1028417522.db2.gz CPWGNVCYBOVGGC-GFCCVEGCSA-N 1 2 338.810 3.724 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000069069323 1028417534 /nfs/dbraw/zinc/41/75/34/1028417534.db2.gz CPWGNVCYBOVGGC-GFCCVEGCSA-N 1 2 338.810 3.724 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431511087 1028424816 /nfs/dbraw/zinc/42/48/16/1028424816.db2.gz JQIIWLFTNMSQJK-QGZVFWFLSA-N 1 2 327.472 3.807 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3ccccc3F)C2)c[nH+]1 ZINC000455560839 1028456159 /nfs/dbraw/zinc/45/61/59/1028456159.db2.gz PWRYEQIMSMNLCP-HNNXBMFYSA-N 1 2 327.403 3.537 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000523610168 1028466052 /nfs/dbraw/zinc/46/60/52/1028466052.db2.gz CXUYHHXSBVBNPV-AEFFLSMTSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000523610168 1028466056 /nfs/dbraw/zinc/46/60/56/1028466056.db2.gz CXUYHHXSBVBNPV-AEFFLSMTSA-N 1 2 340.467 3.692 20 0 EHADLO COc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000513750396 1028493871 /nfs/dbraw/zinc/49/38/71/1028493871.db2.gz HLYOAIBEHNDVCY-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000513750396 1028493876 /nfs/dbraw/zinc/49/38/76/1028493876.db2.gz HLYOAIBEHNDVCY-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508518090 1028519335 /nfs/dbraw/zinc/51/93/35/1028519335.db2.gz LNMBECLGDREGCK-FCEWJHQRSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508518090 1028519351 /nfs/dbraw/zinc/51/93/51/1028519351.db2.gz LNMBECLGDREGCK-FCEWJHQRSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153662490 1028530764 /nfs/dbraw/zinc/53/07/64/1028530764.db2.gz DTLWSYSVPJHREX-MOPGFXCFSA-N 1 2 339.439 3.642 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2cccc(Cl)c2)no1)c1ccccc1 ZINC000504275099 1028531245 /nfs/dbraw/zinc/53/12/45/1028531245.db2.gz QKGWUSZZTCDHMH-KRWDZBQOSA-N 1 2 327.815 3.965 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)sc1C ZINC000472275946 1028589279 /nfs/dbraw/zinc/58/92/79/1028589279.db2.gz KJZOOKRRIGWLMF-UHFFFAOYSA-N 1 2 343.452 3.831 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)sc1C ZINC000472275946 1028589289 /nfs/dbraw/zinc/58/92/89/1028589289.db2.gz KJZOOKRRIGWLMF-UHFFFAOYSA-N 1 2 343.452 3.831 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000504385820 1028601627 /nfs/dbraw/zinc/60/16/27/1028601627.db2.gz ZFZUQVXVRBIRAB-KRWDZBQOSA-N 1 2 340.471 3.951 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4ccc5nsnc5c4)n3)c2)c[nH+]1 ZINC000445234023 1028643689 /nfs/dbraw/zinc/64/36/89/1028643689.db2.gz KNCVNSBDKFYRMK-UHFFFAOYSA-N 1 2 346.375 3.594 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc(F)c1 ZINC000237899457 1028669557 /nfs/dbraw/zinc/66/95/57/1028669557.db2.gz JPMFLHHOPRLXMI-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000246665246 1028675197 /nfs/dbraw/zinc/67/51/97/1028675197.db2.gz BOQAAWHSXDKJGO-ZIAGYGMSSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000246665246 1028675205 /nfs/dbraw/zinc/67/52/05/1028675205.db2.gz BOQAAWHSXDKJGO-ZIAGYGMSSA-N 1 2 333.432 3.759 20 0 EHADLO Cc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000523875394 1028683172 /nfs/dbraw/zinc/68/31/72/1028683172.db2.gz YKPVVTLUEPWTEM-UHFFFAOYSA-N 1 2 329.407 3.779 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245382990 1028703492 /nfs/dbraw/zinc/70/34/92/1028703492.db2.gz MINYFCCZABSVPL-GOEBONIOSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245382990 1028703502 /nfs/dbraw/zinc/70/35/02/1028703502.db2.gz MINYFCCZABSVPL-GOEBONIOSA-N 1 2 343.858 3.853 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075694450 1028767164 /nfs/dbraw/zinc/76/71/64/1028767164.db2.gz KTXRKYXVXDHRMC-IBGZPJMESA-N 1 2 347.418 3.858 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000499580491 1028769120 /nfs/dbraw/zinc/76/91/20/1028769120.db2.gz BIAKVZIYLVFXDH-GOSISDBHSA-N 1 2 326.440 3.931 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000499580491 1028769137 /nfs/dbraw/zinc/76/91/37/1028769137.db2.gz BIAKVZIYLVFXDH-GOSISDBHSA-N 1 2 326.440 3.931 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@H](C)[C@H](C)C2)c(C)c1 ZINC000532752702 1028772538 /nfs/dbraw/zinc/77/25/38/1028772538.db2.gz PNRMJXNEWDFMFO-SCTDSRPQSA-N 1 2 340.471 3.539 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2c(F)cccc2F)CCC1 ZINC000421764037 1028774234 /nfs/dbraw/zinc/77/42/34/1028774234.db2.gz SNFQERQUPZBDOA-ZDUSSCGKSA-N 1 2 345.393 3.516 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1CCCCCC1 ZINC000454327403 1028778878 /nfs/dbraw/zinc/77/88/78/1028778878.db2.gz GUCJKTHKWMDLBY-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000247411254 1028787950 /nfs/dbraw/zinc/78/79/50/1028787950.db2.gz CJPTZPIJBANUKF-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000247411254 1028787964 /nfs/dbraw/zinc/78/79/64/1028787964.db2.gz CJPTZPIJBANUKF-KGLIPLIRSA-N 1 2 346.780 3.640 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccnc2)no1 ZINC000123056173 1028803821 /nfs/dbraw/zinc/80/38/21/1028803821.db2.gz GFMQGJIQAMXQDE-ZIAGYGMSSA-N 1 2 338.411 3.860 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000247594545 1028804281 /nfs/dbraw/zinc/80/42/81/1028804281.db2.gz MSWUYUIVHNHNOC-RNJTYBCJSA-N 1 2 343.858 3.750 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccncc1Cl ZINC000421834355 1028824295 /nfs/dbraw/zinc/82/42/95/1028824295.db2.gz KLLCBXHFYUQIDS-JTQLQIEISA-N 1 2 327.762 3.625 20 0 EHADLO COc1ncc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000532779215 1028824321 /nfs/dbraw/zinc/82/43/21/1028824321.db2.gz RSQOWZMZCZOXNO-HNNXBMFYSA-N 1 2 346.814 3.809 20 0 EHADLO COc1ncc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000532779215 1028824340 /nfs/dbraw/zinc/82/43/40/1028824340.db2.gz RSQOWZMZCZOXNO-HNNXBMFYSA-N 1 2 346.814 3.809 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000424135753 1028824662 /nfs/dbraw/zinc/82/46/62/1028824662.db2.gz PLONOBVITGXQBU-UHFFFAOYSA-N 1 2 332.394 3.703 20 0 EHADLO FC(F)Oc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Cl ZINC000414554852 1028824983 /nfs/dbraw/zinc/82/49/83/1028824983.db2.gz LUFHTWJYIWWATI-UHFFFAOYSA-N 1 2 345.802 3.960 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247964132 1028834075 /nfs/dbraw/zinc/83/40/75/1028834075.db2.gz DHKMUZZWIMLXPY-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247964132 1028834092 /nfs/dbraw/zinc/83/40/92/1028834092.db2.gz DHKMUZZWIMLXPY-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c(C)cc(N(C)C)cc3C)[nH+]c12 ZINC000532790483 1028845690 /nfs/dbraw/zinc/84/56/90/1028845690.db2.gz KXIAWMJTKPMSNF-UHFFFAOYSA-N 1 2 336.439 3.507 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000424161111 1028860413 /nfs/dbraw/zinc/86/04/13/1028860413.db2.gz BLYKUZKLJXCGHH-KRWDZBQOSA-N 1 2 329.444 3.637 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(C)c3ncccc3c2)s1 ZINC000424194567 1028881349 /nfs/dbraw/zinc/88/13/49/1028881349.db2.gz BJJTXLXLSWDYFD-LBPRGKRZSA-N 1 2 341.436 3.637 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)[C@H]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000524128389 1028900066 /nfs/dbraw/zinc/90/00/66/1028900066.db2.gz PABRXFJXOVMXBN-SFHVURJKSA-N 1 2 334.423 3.664 20 0 EHADLO Cc1cccc(C)c1C[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445541915 1028901849 /nfs/dbraw/zinc/90/18/49/1028901849.db2.gz VHFSBSCZBYDPQM-DEOSSOPVSA-N 1 2 338.476 3.997 20 0 EHADLO COc1ccc(C2(C(=O)NCc3cc(C)[nH+]c(C)c3)CCCC2)cc1 ZINC000421916939 1028910154 /nfs/dbraw/zinc/91/01/54/1028910154.db2.gz JMTVEYYKDOYURY-UHFFFAOYSA-N 1 2 338.451 3.835 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475630730 1028914704 /nfs/dbraw/zinc/91/47/04/1028914704.db2.gz ISVWAMGHPIGXHV-CZUORRHYSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475630730 1028914714 /nfs/dbraw/zinc/91/47/14/1028914714.db2.gz ISVWAMGHPIGXHV-CZUORRHYSA-N 1 2 330.255 3.763 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)o1 ZINC000428450281 1028916754 /nfs/dbraw/zinc/91/67/54/1028916754.db2.gz VIQWJLBLTRSVCQ-SFHVURJKSA-N 1 2 328.456 3.769 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)o1 ZINC000428450281 1028916767 /nfs/dbraw/zinc/91/67/67/1028916767.db2.gz VIQWJLBLTRSVCQ-SFHVURJKSA-N 1 2 328.456 3.769 20 0 EHADLO Cc1ccc(C)c(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445557428 1028918587 /nfs/dbraw/zinc/91/85/87/1028918587.db2.gz KLHYRNJKAPCYRT-UHFFFAOYSA-N 1 2 340.448 3.522 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)o1 ZINC000091867193 1028922402 /nfs/dbraw/zinc/92/24/02/1028922402.db2.gz XPESLACGLWJKII-ZDUSSCGKSA-N 1 2 333.407 3.513 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@]2(CCOC2)O1 ZINC000475630660 1028922834 /nfs/dbraw/zinc/92/28/34/1028922834.db2.gz HWLWNHKSIAPTHC-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@]2(CCOC2)O1 ZINC000475630660 1028922838 /nfs/dbraw/zinc/92/28/38/1028922838.db2.gz HWLWNHKSIAPTHC-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO CC(C)(C)c1csc(CC2CC[NH+](Cc3ncccn3)CC2)n1 ZINC000639813516 1028931321 /nfs/dbraw/zinc/93/13/21/1028931321.db2.gz YAHHGFLGSIYSHM-UHFFFAOYSA-N 1 2 330.501 3.685 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830239 1028954624 /nfs/dbraw/zinc/95/46/24/1028954624.db2.gz LACIITZKLNOYKV-RTBURBONSA-N 1 2 331.456 3.647 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830239 1028954639 /nfs/dbraw/zinc/95/46/39/1028954639.db2.gz LACIITZKLNOYKV-RTBURBONSA-N 1 2 331.456 3.647 20 0 EHADLO Cc1nnc(SCc2c[nH+]cn2Cc2ccccc2)n1C(C)C ZINC000445605057 1028965808 /nfs/dbraw/zinc/96/58/08/1028965808.db2.gz QJIIFOLYOVUTGX-UHFFFAOYSA-N 1 2 327.457 3.705 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454506511 1028988628 /nfs/dbraw/zinc/98/86/28/1028988628.db2.gz KWDCCXUQRYUPRR-MDZRGWNJSA-N 1 2 345.487 3.558 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)o1 ZINC000249330538 1029000368 /nfs/dbraw/zinc/00/03/68/1029000368.db2.gz PBILPTWSSPKNMP-HOCLYGCPSA-N 1 2 332.469 3.834 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)o1 ZINC000249330538 1029000383 /nfs/dbraw/zinc/00/03/83/1029000383.db2.gz PBILPTWSSPKNMP-HOCLYGCPSA-N 1 2 332.469 3.834 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000503087369 1029042075 /nfs/dbraw/zinc/04/20/75/1029042075.db2.gz JUQIWUKOBWIWRA-PBHICJAKSA-N 1 2 348.878 3.964 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000154290417 1029086386 /nfs/dbraw/zinc/08/63/86/1029086386.db2.gz RHIPOSVFHBTDFK-RTBURBONSA-N 1 2 337.467 3.883 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCSC(C)(C)C)c1C ZINC000179190857 1029091783 /nfs/dbraw/zinc/09/17/83/1029091783.db2.gz PRIXYPDSNLOGTH-UHFFFAOYSA-N 1 2 338.517 3.977 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](C)Sc2ccccc2)c[nH+]1 ZINC000454603097 1029093180 /nfs/dbraw/zinc/09/31/80/1029093180.db2.gz RWZNPDMHVIPLGE-HNNXBMFYSA-N 1 2 329.469 3.678 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000271710466 1029133703 /nfs/dbraw/zinc/13/37/03/1029133703.db2.gz OIXAYVPRACRJSU-LBPRGKRZSA-N 1 2 326.227 3.730 20 0 EHADLO CCN1CCN(Cc2c[nH+]cn2Cc2ccccc2)c2ccccc21 ZINC000445813932 1029151853 /nfs/dbraw/zinc/15/18/53/1029151853.db2.gz PEHHWXMTVACLIB-UHFFFAOYSA-N 1 2 332.451 3.778 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1c(F)cccc1F ZINC000271753941 1029154887 /nfs/dbraw/zinc/15/48/87/1029154887.db2.gz LEUMOQNUXGMCEP-LBPRGKRZSA-N 1 2 348.397 3.566 20 0 EHADLO C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000271807591 1029182787 /nfs/dbraw/zinc/18/27/87/1029182787.db2.gz BCPULSPOVGJRJH-HOCLYGCPSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000424644029 1029205617 /nfs/dbraw/zinc/20/56/17/1029205617.db2.gz MFXCJKBEXMZPII-KYJSFNMBSA-N 1 2 336.426 3.559 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000271869317 1029208763 /nfs/dbraw/zinc/20/87/63/1029208763.db2.gz XBCBSBMQMRWDSM-CQSZACIVSA-N 1 2 347.283 3.687 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccs1 ZINC000079820917 1029218465 /nfs/dbraw/zinc/21/84/65/1029218465.db2.gz WTNQVSYSGNKFIB-NSHDSACASA-N 1 2 331.466 3.817 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccs1 ZINC000079820917 1029218477 /nfs/dbraw/zinc/21/84/77/1029218477.db2.gz WTNQVSYSGNKFIB-NSHDSACASA-N 1 2 331.466 3.817 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424688773 1029236384 /nfs/dbraw/zinc/23/63/84/1029236384.db2.gz CZDZNYRKCUQAET-QZTJIDSGSA-N 1 2 347.478 3.675 20 0 EHADLO CN(Cc1nc(=O)c2sccc2[nH]1)c1cc[nH+]c2cc(F)ccc21 ZINC000357317878 1029238948 /nfs/dbraw/zinc/23/89/48/1029238948.db2.gz RQHGBISCCVSAHB-UHFFFAOYSA-N 1 2 340.383 3.721 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]C2(c3ccccc3)CCOCC2)no1 ZINC000533059473 1029250925 /nfs/dbraw/zinc/25/09/25/1029250925.db2.gz JGAYHFROCKYWPI-UHFFFAOYSA-N 1 2 349.434 3.841 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)cn1 ZINC000648554966 1029260996 /nfs/dbraw/zinc/26/09/96/1029260996.db2.gz CWXIYCAUACMLNT-HNNXBMFYSA-N 1 2 348.859 3.505 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)cn1 ZINC000648554966 1029261015 /nfs/dbraw/zinc/26/10/15/1029261015.db2.gz CWXIYCAUACMLNT-HNNXBMFYSA-N 1 2 348.859 3.505 20 0 EHADLO CC[C@H]1CCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000533084426 1029262232 /nfs/dbraw/zinc/26/22/32/1029262232.db2.gz OWCYSCKPYRWZAB-HKUYNNGSSA-N 1 2 340.471 3.825 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000272011609 1029272850 /nfs/dbraw/zinc/27/28/50/1029272850.db2.gz JYZVFJAJDYLVKH-IBGZPJMESA-N 1 2 342.439 3.984 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2ccccc2OCC(F)(F)F)CCCC1 ZINC000533079212 1029286240 /nfs/dbraw/zinc/28/62/40/1029286240.db2.gz ITRAPKGXPOKWLY-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2ccccc2OCC(F)(F)F)CCCC1 ZINC000533079212 1029286256 /nfs/dbraw/zinc/28/62/56/1029286256.db2.gz ITRAPKGXPOKWLY-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[C@H](F)C2)c(C)c1 ZINC000424738654 1029308796 /nfs/dbraw/zinc/30/87/96/1029308796.db2.gz PPNBXZWKBPDOKN-AOIWGVFYSA-N 1 2 343.446 3.886 20 0 EHADLO CC(C)CN(CCc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272168937 1029341665 /nfs/dbraw/zinc/34/16/65/1029341665.db2.gz BSMYTPXKMLLCKX-UHFFFAOYSA-N 1 2 348.450 3.608 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000272184633 1029350388 /nfs/dbraw/zinc/35/03/88/1029350388.db2.gz ANDAIOVRPVXFKM-LBPRGKRZSA-N 1 2 346.397 3.666 20 0 EHADLO Cc1nc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cs1 ZINC000272199237 1029355081 /nfs/dbraw/zinc/35/50/81/1029355081.db2.gz BEFUJLCOXUBNJD-FRRDWIJNSA-N 1 2 332.473 3.633 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3c(Cl)cc(F)cc3C2)c[nH+]1 ZINC000455581688 1029363313 /nfs/dbraw/zinc/36/33/13/1029363313.db2.gz YGTKWJDOKGFZRU-UHFFFAOYSA-N 1 2 347.821 3.759 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cccc1 ZINC000524648728 1029407324 /nfs/dbraw/zinc/40/73/24/1029407324.db2.gz GFIQMNYLQRIQAY-HNNXBMFYSA-N 1 2 346.500 3.766 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1F ZINC000272312853 1029411984 /nfs/dbraw/zinc/41/19/84/1029411984.db2.gz RZMRGWHFNMPXRV-KVULBXGLSA-N 1 2 331.435 3.584 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000272353835 1029429128 /nfs/dbraw/zinc/42/91/28/1029429128.db2.gz APSGCTBWXLHNSK-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000272353835 1029429135 /nfs/dbraw/zinc/42/91/35/1029429135.db2.gz APSGCTBWXLHNSK-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO Brc1c[nH]nc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000533187414 1029450524 /nfs/dbraw/zinc/45/05/24/1029450524.db2.gz XCEQSTTZIBTMCW-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO Cc1nc([C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ccc(Cl)cc2)no1 ZINC000245959156 1029517813 /nfs/dbraw/zinc/51/78/13/1029517813.db2.gz XUYFQVHPLCWUML-OJXGSEEGSA-N 1 2 335.835 3.666 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccco1 ZINC000272587370 1029523939 /nfs/dbraw/zinc/52/39/39/1029523939.db2.gz QLUJOIHSUMJUNA-CYBMUJFWSA-N 1 2 333.819 3.687 20 0 EHADLO CCC[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC000454989607 1029528379 /nfs/dbraw/zinc/52/83/79/1029528379.db2.gz JWLQDMXNKSKWCY-INIZCTEOSA-N 1 2 348.491 3.563 20 0 EHADLO c1coc([C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)N2CCCC2)c1 ZINC000125504747 1029533601 /nfs/dbraw/zinc/53/36/01/1029533601.db2.gz WVIBRBUQRWKEQU-PKOBYXMFSA-N 1 2 336.439 3.519 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434301308 1029554746 /nfs/dbraw/zinc/55/47/46/1029554746.db2.gz PYRROQWMUSJLEG-SJLPKXTDSA-N 1 2 333.476 3.851 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)Cc1cccc(F)c1 ZINC000125602597 1029560226 /nfs/dbraw/zinc/56/02/26/1029560226.db2.gz DEDNSWDIGYXAPV-BXWFABGCSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414844294 1029563408 /nfs/dbraw/zinc/56/34/08/1029563408.db2.gz DMMFAZRBBHGHQP-UHFFFAOYSA-N 1 2 333.439 3.854 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434318457 1029566027 /nfs/dbraw/zinc/56/60/27/1029566027.db2.gz YEDMNPAHNFEATJ-SFHVURJKSA-N 1 2 343.496 3.933 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434318457 1029566038 /nfs/dbraw/zinc/56/60/38/1029566038.db2.gz YEDMNPAHNFEATJ-SFHVURJKSA-N 1 2 343.496 3.933 20 0 EHADLO C[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCOC1 ZINC000272683906 1029566565 /nfs/dbraw/zinc/56/65/65/1029566565.db2.gz ZWIBMWXQTMFKTB-FQEVSTJZSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000533301358 1029603780 /nfs/dbraw/zinc/60/37/80/1029603780.db2.gz RDPSZZKIEXWOCS-SFHVURJKSA-N 1 2 332.513 3.534 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000533301358 1029603788 /nfs/dbraw/zinc/60/37/88/1029603788.db2.gz RDPSZZKIEXWOCS-SFHVURJKSA-N 1 2 332.513 3.534 20 0 EHADLO CCc1ccc(C(C)(C)CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000080097407 1029629879 /nfs/dbraw/zinc/62/98/79/1029629879.db2.gz KLWOONWLCQPGPU-UHFFFAOYSA-N 1 2 342.487 3.503 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000524989957 1029648558 /nfs/dbraw/zinc/64/85/58/1029648558.db2.gz CPFATQFEDHDDAO-CQSZACIVSA-N 1 2 328.437 3.786 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000524989957 1029648559 /nfs/dbraw/zinc/64/85/59/1029648559.db2.gz CPFATQFEDHDDAO-CQSZACIVSA-N 1 2 328.437 3.786 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1 ZINC001168274678 1029655340 /nfs/dbraw/zinc/65/53/40/1029655340.db2.gz GVQPHBFDWILZIP-GOSISDBHSA-N 1 2 344.817 3.643 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1 ZINC001168274678 1029655346 /nfs/dbraw/zinc/65/53/46/1029655346.db2.gz GVQPHBFDWILZIP-GOSISDBHSA-N 1 2 344.817 3.643 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000583331125 1029663625 /nfs/dbraw/zinc/66/36/25/1029663625.db2.gz UPZGLKUTHOILMQ-AYOQOUSVSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000583331125 1029663629 /nfs/dbraw/zinc/66/36/29/1029663629.db2.gz UPZGLKUTHOILMQ-AYOQOUSVSA-N 1 2 325.456 3.691 20 0 EHADLO Clc1nccc(-c2nccnc2Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213087807 1029670739 /nfs/dbraw/zinc/67/07/39/1029670739.db2.gz BBCCKCNYVCFRFX-UHFFFAOYSA-N 1 2 349.785 3.721 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)sc1C ZINC000525128406 1029699482 /nfs/dbraw/zinc/69/94/82/1029699482.db2.gz FWHBYJKDERCZIW-UHFFFAOYSA-N 1 2 327.906 3.797 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCn2cc[nH+]c2C1 ZINC000155974125 1029705133 /nfs/dbraw/zinc/70/51/33/1029705133.db2.gz FJSMWUFQOSKMPR-HNNXBMFYSA-N 1 2 329.403 3.655 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1n[nH]cc1Br ZINC000536006547 1029736836 /nfs/dbraw/zinc/73/68/36/1029736836.db2.gz FHSKQTFTHPKDDM-UHFFFAOYSA-N 1 2 328.641 3.732 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)S1 ZINC000525271727 1029767043 /nfs/dbraw/zinc/76/70/43/1029767043.db2.gz INWIJPAIDBHHFY-ZENOOKHLSA-N 1 2 338.904 3.661 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)S1 ZINC000525271727 1029767047 /nfs/dbraw/zinc/76/70/47/1029767047.db2.gz INWIJPAIDBHHFY-ZENOOKHLSA-N 1 2 338.904 3.661 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1OCCC(C)C ZINC000525314222 1029790158 /nfs/dbraw/zinc/79/01/58/1029790158.db2.gz FQBBIYXKEFJMPU-INIZCTEOSA-N 1 2 344.459 3.827 20 0 EHADLO Cc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c(C(F)(F)F)c1 ZINC001211579796 1029790634 /nfs/dbraw/zinc/79/06/34/1029790634.db2.gz IPPINAAZHRCIHG-SNVBAGLBSA-N 1 2 347.287 3.776 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000126909930 1029801581 /nfs/dbraw/zinc/80/15/81/1029801581.db2.gz FFLRGBZWIBLVMW-LJQANCHMSA-N 1 2 337.423 3.696 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455649155 1029811144 /nfs/dbraw/zinc/81/11/44/1029811144.db2.gz PZTUSPUFWNKQRY-KBXCAEBGSA-N 1 2 345.874 3.955 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455650275 1029812258 /nfs/dbraw/zinc/81/22/58/1029812258.db2.gz DMBIJNHBDWLCNS-APWZRJJASA-N 1 2 325.456 3.610 20 0 EHADLO Cc1cnc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000428455694 1029820787 /nfs/dbraw/zinc/82/07/87/1029820787.db2.gz TWFCTBVEOBEMKD-JKSUJKDBSA-N 1 2 344.890 3.878 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC000162754975 1029873113 /nfs/dbraw/zinc/87/31/13/1029873113.db2.gz OCCGUDVMJCVTNR-UHFFFAOYSA-N 1 2 339.370 3.796 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546716917 1029875519 /nfs/dbraw/zinc/87/55/19/1029875519.db2.gz QOVAXEYBPSNMDB-UHFFFAOYSA-N 1 2 347.352 3.616 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546716917 1029875523 /nfs/dbraw/zinc/87/55/23/1029875523.db2.gz QOVAXEYBPSNMDB-UHFFFAOYSA-N 1 2 347.352 3.616 20 0 EHADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000343248192 1029883798 /nfs/dbraw/zinc/88/37/98/1029883798.db2.gz IQCGTTXNVBQDOQ-OAHLLOKOSA-N 1 2 327.428 3.665 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CCO1 ZINC000453193125 1029892075 /nfs/dbraw/zinc/89/20/75/1029892075.db2.gz DPRYWOFRMOHXMC-YTQUADARSA-N 1 2 346.450 3.607 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CCO1 ZINC000453193125 1029892086 /nfs/dbraw/zinc/89/20/86/1029892086.db2.gz DPRYWOFRMOHXMC-YTQUADARSA-N 1 2 346.450 3.607 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089364386 1029892429 /nfs/dbraw/zinc/89/24/29/1029892429.db2.gz SDKGWEVVFZZSLD-UHFFFAOYSA-N 1 2 342.402 3.552 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000119988651 1029893139 /nfs/dbraw/zinc/89/31/39/1029893139.db2.gz CFBAUTZBLDTFBI-AWEZNQCLSA-N 1 2 347.418 3.873 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000119988651 1029893153 /nfs/dbraw/zinc/89/31/53/1029893153.db2.gz CFBAUTZBLDTFBI-AWEZNQCLSA-N 1 2 347.418 3.873 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1cccc(Cl)c1 ZINC000481739088 1029897631 /nfs/dbraw/zinc/89/76/31/1029897631.db2.gz QTBFGYABJYVYCY-UHFFFAOYSA-N 1 2 326.827 3.826 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1cccc(Cl)c1 ZINC000481739088 1029897655 /nfs/dbraw/zinc/89/76/55/1029897655.db2.gz QTBFGYABJYVYCY-UHFFFAOYSA-N 1 2 326.827 3.826 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000428685561 1029898218 /nfs/dbraw/zinc/89/82/18/1029898218.db2.gz QYACAKAAPQJPJY-UHFFFAOYSA-N 1 2 336.798 3.676 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC34CCCC4)n2)C1 ZINC000428686014 1029898585 /nfs/dbraw/zinc/89/85/85/1029898585.db2.gz APVXQPAZCJFUSR-DZGCQCFKSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC34CCCC4)n2)C1 ZINC000428686014 1029898599 /nfs/dbraw/zinc/89/85/99/1029898599.db2.gz APVXQPAZCJFUSR-DZGCQCFKSA-N 1 2 348.516 3.829 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncccc1OCc1ccccc1 ZINC000428686952 1029898984 /nfs/dbraw/zinc/89/89/84/1029898984.db2.gz BQMAXPDHOVHLRQ-UHFFFAOYSA-N 1 2 348.450 3.830 20 0 EHADLO CCC1(CNc2ccc3c(c2)[nH+]cn3-c2ccccc2OC)COC1 ZINC001168334366 1029906311 /nfs/dbraw/zinc/90/63/11/1029906311.db2.gz PCWYEDHORXTNMG-UHFFFAOYSA-N 1 2 337.423 3.873 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2CN1Cc1c[nH+]cn1C ZINC000447082560 1029911753 /nfs/dbraw/zinc/91/17/53/1029911753.db2.gz PQZLNMMKOWHBEF-ZDUSSCGKSA-N 1 2 334.261 3.520 20 0 EHADLO CC(C)Oc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000455771951 1029919125 /nfs/dbraw/zinc/91/91/25/1029919125.db2.gz RFMFZDPOEWQGEP-UHFFFAOYSA-N 1 2 342.443 3.883 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000531868785 1029941212 /nfs/dbraw/zinc/94/12/12/1029941212.db2.gz IVQWIMNLEWHLGZ-AWEZNQCLSA-N 1 2 346.427 3.878 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000531868785 1029941235 /nfs/dbraw/zinc/94/12/35/1029941235.db2.gz IVQWIMNLEWHLGZ-AWEZNQCLSA-N 1 2 346.427 3.878 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000481790548 1029965755 /nfs/dbraw/zinc/96/57/55/1029965755.db2.gz ULFDYMFAHVIXDT-GJZGRUSLSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H](C)C1CCCCC1 ZINC000481790546 1029966135 /nfs/dbraw/zinc/96/61/35/1029966135.db2.gz ULFDYMFAHVIXDT-CABCVRRESA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2)c1 ZINC000667957342 1029989664 /nfs/dbraw/zinc/98/96/64/1029989664.db2.gz FMYPVLKFAUMJAV-WOJBJXKFSA-N 1 2 345.446 3.815 20 0 EHADLO O=C(NCCC1=CCCCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000899976721 1030014455 /nfs/dbraw/zinc/01/44/55/1030014455.db2.gz DFLATRAJKLUDOA-UHFFFAOYSA-N 1 2 338.455 3.616 20 0 EHADLO Cc1ccc(F)c(Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000453289940 1030035490 /nfs/dbraw/zinc/03/54/90/1030035490.db2.gz MVRRAMNJLTWUKV-SFHVURJKSA-N 1 2 325.387 3.759 20 0 EHADLO Cc1cccc([C@@H]2CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)c1 ZINC000583529582 1030046699 /nfs/dbraw/zinc/04/66/99/1030046699.db2.gz PHMKXOOTLLLNEU-OAHLLOKOSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)c1 ZINC000583529582 1030046713 /nfs/dbraw/zinc/04/67/13/1030046713.db2.gz PHMKXOOTLLLNEU-OAHLLOKOSA-N 1 2 330.378 3.701 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000531942191 1030059770 /nfs/dbraw/zinc/05/97/70/1030059770.db2.gz JOJNXUZYYUNZQN-UYAOXDASSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCCO2 ZINC000453304292 1030071515 /nfs/dbraw/zinc/07/15/15/1030071515.db2.gz OWVLOGGYFPHDPO-AWEZNQCLSA-N 1 2 337.345 3.807 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447299784 1030095728 /nfs/dbraw/zinc/09/57/28/1030095728.db2.gz UJMOHTGXMKZKLE-GFCCVEGCSA-N 1 2 328.161 3.535 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447299784 1030095739 /nfs/dbraw/zinc/09/57/39/1030095739.db2.gz UJMOHTGXMKZKLE-GFCCVEGCSA-N 1 2 328.161 3.535 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000453339808 1030123457 /nfs/dbraw/zinc/12/34/57/1030123457.db2.gz GWPQEKDZSBKDLK-YUTCNCBUSA-N 1 2 343.427 3.634 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cccc(C)c2)c1C ZINC000058957950 1030143004 /nfs/dbraw/zinc/14/30/04/1030143004.db2.gz IQGIARYELCNVGL-UHFFFAOYSA-N 1 2 326.440 3.607 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121083927 1030177515 /nfs/dbraw/zinc/17/75/15/1030177515.db2.gz UQFMXLPMLVMCFH-IBGZPJMESA-N 1 2 338.451 3.738 20 0 EHADLO CC(C)(C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447387115 1030180304 /nfs/dbraw/zinc/18/03/04/1030180304.db2.gz SFEZTQGZRTWPPL-UHFFFAOYSA-N 1 2 329.271 3.877 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(Cl)c1Cl ZINC000657772349 1030184642 /nfs/dbraw/zinc/18/46/42/1030184642.db2.gz LTJZIKZOGFATGK-ZDUSSCGKSA-N 1 2 340.206 3.545 20 0 EHADLO CCC(C)(C)OCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453403546 1030212355 /nfs/dbraw/zinc/21/23/55/1030212355.db2.gz GTZLJJUKUAZUJP-MRXNPFEDSA-N 1 2 335.879 3.958 20 0 EHADLO COCCCOCC[N@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000091102042 1030227426 /nfs/dbraw/zinc/22/74/26/1030227426.db2.gz FMYAZPZAXBAIGM-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO COCCCOCC[N@@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000091102042 1030227441 /nfs/dbraw/zinc/22/74/41/1030227441.db2.gz FMYAZPZAXBAIGM-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000583596591 1030231645 /nfs/dbraw/zinc/23/16/45/1030231645.db2.gz SURNSXXRLXYROW-SFHVURJKSA-N 1 2 325.456 3.655 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161470 1030233273 /nfs/dbraw/zinc/23/32/73/1030233273.db2.gz PSQLMBIITHYRGM-HOTGVXAUSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161470 1030233290 /nfs/dbraw/zinc/23/32/90/1030233290.db2.gz PSQLMBIITHYRGM-HOTGVXAUSA-N 1 2 336.794 3.637 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000476572489 1030262987 /nfs/dbraw/zinc/26/29/87/1030262987.db2.gz LCVQKUAYOKTVAO-YOEHRIQHSA-N 1 2 342.405 3.726 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000476572489 1030262996 /nfs/dbraw/zinc/26/29/96/1030262996.db2.gz LCVQKUAYOKTVAO-YOEHRIQHSA-N 1 2 342.405 3.726 20 0 EHADLO CC(C)COC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000054571277 1030286338 /nfs/dbraw/zinc/28/63/38/1030286338.db2.gz VUORZWNZSQHUIK-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091704413 1030291012 /nfs/dbraw/zinc/29/10/12/1030291012.db2.gz AYMSFEGLNGDJGR-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091704413 1030291023 /nfs/dbraw/zinc/29/10/23/1030291023.db2.gz AYMSFEGLNGDJGR-KRWDZBQOSA-N 1 2 349.434 3.901 20 0 EHADLO CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900576250 1030300019 /nfs/dbraw/zinc/30/00/19/1030300019.db2.gz ACKJGCIHUXMOJU-SFHVURJKSA-N 1 2 340.471 3.646 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1OCc1cccs1 ZINC000092018053 1030359617 /nfs/dbraw/zinc/35/96/17/1030359617.db2.gz AHAYYHXWLISQQF-CABCVRRESA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1OCc1cccs1 ZINC000092018053 1030359630 /nfs/dbraw/zinc/35/96/30/1030359630.db2.gz AHAYYHXWLISQQF-CABCVRRESA-N 1 2 347.480 3.945 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC2(CCCCC2)CC1 ZINC000526045211 1030367383 /nfs/dbraw/zinc/36/73/83/1030367383.db2.gz OHTMOZLRALCIBX-UHFFFAOYSA-N 1 2 332.492 3.809 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cs1 ZINC000429721387 1030378580 /nfs/dbraw/zinc/37/85/80/1030378580.db2.gz RBPLMUVHUHHZSC-CZUORRHYSA-N 1 2 334.485 3.700 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)nn2)cc1 ZINC000162918011 1030389637 /nfs/dbraw/zinc/38/96/37/1030389637.db2.gz RMXZBHXREXXYJK-KRWDZBQOSA-N 1 2 327.819 3.586 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)nn2)cc1 ZINC000162918011 1030389648 /nfs/dbraw/zinc/38/96/48/1030389648.db2.gz RMXZBHXREXXYJK-KRWDZBQOSA-N 1 2 327.819 3.586 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)CC(C)(C)O4)[nH+]c12 ZINC000532097329 1030395862 /nfs/dbraw/zinc/39/58/62/1030395862.db2.gz RNTLJVNMWKUMMM-UHFFFAOYSA-N 1 2 335.407 3.537 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc2c(c1)CCC=C2 ZINC000343344367 1030399527 /nfs/dbraw/zinc/39/95/27/1030399527.db2.gz CXGVPJDHKCUHTO-UHFFFAOYSA-N 1 2 330.391 3.538 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000453630290 1030434152 /nfs/dbraw/zinc/43/41/52/1030434152.db2.gz YSSNEVNRLNTIMU-UHFFFAOYSA-N 1 2 339.487 3.838 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000453630290 1030434159 /nfs/dbraw/zinc/43/41/59/1030434159.db2.gz YSSNEVNRLNTIMU-UHFFFAOYSA-N 1 2 339.487 3.838 20 0 EHADLO CC(C)[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC000447730728 1030441712 /nfs/dbraw/zinc/44/17/12/1030441712.db2.gz KYLNTDDXVZACKU-QGZVFWFLSA-N 1 2 334.423 3.804 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c(Cl)cccc1Cl ZINC000343359161 1030481000 /nfs/dbraw/zinc/48/10/00/1030481000.db2.gz IUDKKZIKZYZSQV-UHFFFAOYSA-N 1 2 347.205 3.886 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)nnn1-c1ccccc1 ZINC000532229312 1030492098 /nfs/dbraw/zinc/49/20/98/1030492098.db2.gz NZTVRECLKRZIAF-CABCVRRESA-N 1 2 338.459 3.765 20 0 EHADLO CC[N@H+](CCC1CC1)Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482529478 1030500028 /nfs/dbraw/zinc/50/00/28/1030500028.db2.gz XDCRKRKKXFQYFH-UHFFFAOYSA-N 1 2 329.893 3.756 20 0 EHADLO CC[N@@H+](CCC1CC1)Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482529478 1030500036 /nfs/dbraw/zinc/50/00/36/1030500036.db2.gz XDCRKRKKXFQYFH-UHFFFAOYSA-N 1 2 329.893 3.756 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000129600875 1030503648 /nfs/dbraw/zinc/50/36/48/1030503648.db2.gz QGPYUVIDWQJYRT-LBPRGKRZSA-N 1 2 336.407 3.545 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C(C)C)C(C)C)c1C ZINC000447824579 1030504229 /nfs/dbraw/zinc/50/42/29/1030504229.db2.gz BFDVPYUKDVVGCO-UHFFFAOYSA-N 1 2 335.492 3.777 20 0 EHADLO C[C@H](C(=O)Nc1cccc(-c2cccs2)c1)[NH+]1CCSCC1 ZINC000343362445 1030516117 /nfs/dbraw/zinc/51/61/17/1030516117.db2.gz JGSLCTBWKKAXLV-CYBMUJFWSA-N 1 2 332.494 3.791 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ncn(-c3ccccc3)n2)c1 ZINC000092794360 1030520754 /nfs/dbraw/zinc/52/07/54/1030520754.db2.gz QCCGHDPFDAIPTO-IBGZPJMESA-N 1 2 336.414 3.614 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@H+]2Cc2ncn(-c3ccccc3)n2)c1 ZINC000092794360 1030520766 /nfs/dbraw/zinc/52/07/66/1030520766.db2.gz QCCGHDPFDAIPTO-IBGZPJMESA-N 1 2 336.414 3.614 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cc1 ZINC000092973617 1030539789 /nfs/dbraw/zinc/53/97/89/1030539789.db2.gz XDEGCVQAZPTMMD-YADARESESA-N 1 2 343.492 3.776 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cc1 ZINC000092973617 1030539801 /nfs/dbraw/zinc/53/98/01/1030539801.db2.gz XDEGCVQAZPTMMD-YADARESESA-N 1 2 343.492 3.776 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851038 1030540477 /nfs/dbraw/zinc/54/04/77/1030540477.db2.gz PYRFEEXOJVCONZ-STQMWFEESA-N 1 2 346.418 3.611 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851038 1030540485 /nfs/dbraw/zinc/54/04/85/1030540485.db2.gz PYRFEEXOJVCONZ-STQMWFEESA-N 1 2 346.418 3.611 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(=Cc3ccccc3F)CC2)n1 ZINC000447856031 1030546987 /nfs/dbraw/zinc/54/69/87/1030546987.db2.gz XGXAYRKYJSNPDX-AWEZNQCLSA-N 1 2 327.403 3.870 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085545 1030553914 /nfs/dbraw/zinc/55/39/14/1030553914.db2.gz LBUYUQIBVGIIGH-CYBMUJFWSA-N 1 2 338.274 3.841 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085545 1030553923 /nfs/dbraw/zinc/55/39/23/1030553923.db2.gz LBUYUQIBVGIIGH-CYBMUJFWSA-N 1 2 338.274 3.841 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](c2cccs2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000532348812 1030574098 /nfs/dbraw/zinc/57/40/98/1030574098.db2.gz VPQYZYJMEOXOMM-FRFSOERESA-N 1 2 344.484 3.688 20 0 EHADLO CC(C)Cc1ccc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343375814 1030575091 /nfs/dbraw/zinc/57/50/91/1030575091.db2.gz QFPVCKIPTUUGCX-UHFFFAOYSA-N 1 2 348.450 3.706 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093235131 1030576004 /nfs/dbraw/zinc/57/60/04/1030576004.db2.gz HCKOJYSVTOQWFI-GOSISDBHSA-N 1 2 339.483 3.822 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093235131 1030576013 /nfs/dbraw/zinc/57/60/13/1030576013.db2.gz HCKOJYSVTOQWFI-GOSISDBHSA-N 1 2 339.483 3.822 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-n2cccc2)s1 ZINC000668089127 1030579685 /nfs/dbraw/zinc/57/96/85/1030579685.db2.gz OKRYXWSOWRBSDY-AWEZNQCLSA-N 1 2 340.452 3.590 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(C(F)(F)F)CCCCC1 ZINC000668090114 1030584813 /nfs/dbraw/zinc/58/48/13/1030584813.db2.gz FYKSBDDBEKZIHN-LBPRGKRZSA-N 1 2 329.366 3.629 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3ccnn3-c3ccccc3)co2)c1 ZINC000447938643 1030594688 /nfs/dbraw/zinc/59/46/88/1030594688.db2.gz BUCMPRKGJOXIJC-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCO2)c1 ZINC000093457640 1030616735 /nfs/dbraw/zinc/61/67/35/1030616735.db2.gz MLZSYLYMKKHCPY-GOSISDBHSA-N 1 2 349.377 3.610 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCO2)c1 ZINC000093457640 1030616739 /nfs/dbraw/zinc/61/67/39/1030616739.db2.gz MLZSYLYMKKHCPY-GOSISDBHSA-N 1 2 349.377 3.610 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)s2)c1 ZINC000194466057 1030638324 /nfs/dbraw/zinc/63/83/24/1030638324.db2.gz QXMLTKIIFIGLFM-INIZCTEOSA-N 1 2 340.448 3.847 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)s2)c1 ZINC000194466057 1030638328 /nfs/dbraw/zinc/63/83/28/1030638328.db2.gz QXMLTKIIFIGLFM-INIZCTEOSA-N 1 2 340.448 3.847 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637513 1030642964 /nfs/dbraw/zinc/64/29/64/1030642964.db2.gz UGVFLMTXJZNYTD-LJQANCHMSA-N 1 2 331.435 3.541 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637513 1030642969 /nfs/dbraw/zinc/64/29/69/1030642969.db2.gz UGVFLMTXJZNYTD-LJQANCHMSA-N 1 2 331.435 3.541 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)sc1C ZINC000093689042 1030662537 /nfs/dbraw/zinc/66/25/37/1030662537.db2.gz NIZAERJULXVODV-UHFFFAOYSA-N 1 2 348.541 3.806 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](CC(=O)c3ccccc3F)C2)cc1F ZINC000639897443 1030675944 /nfs/dbraw/zinc/67/59/44/1030675944.db2.gz OLFWETJAWQOYFQ-CQSZACIVSA-N 1 2 331.362 3.646 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)c3ccccc3F)C2)cc1F ZINC000639897443 1030675958 /nfs/dbraw/zinc/67/59/58/1030675958.db2.gz OLFWETJAWQOYFQ-CQSZACIVSA-N 1 2 331.362 3.646 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688876 1030697303 /nfs/dbraw/zinc/69/73/03/1030697303.db2.gz MINYFCCZABSVPL-ZBFHGGJFSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688876 1030697320 /nfs/dbraw/zinc/69/73/20/1030697320.db2.gz MINYFCCZABSVPL-ZBFHGGJFSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1cc(C)c(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c(C)[nH+]1 ZINC000448125719 1030701499 /nfs/dbraw/zinc/70/14/99/1030701499.db2.gz NMJNEMBJAQYMBC-UHFFFAOYSA-N 1 2 345.487 3.666 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000343403361 1030714989 /nfs/dbraw/zinc/71/49/89/1030714989.db2.gz NCWBJZQGPIGLLW-YVEFUNNKSA-N 1 2 333.407 3.856 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1)N1CCCCCC1 ZINC000360035576 1030718302 /nfs/dbraw/zinc/71/83/02/1030718302.db2.gz JVZKZCACKJIERS-QGZVFWFLSA-N 1 2 341.455 3.757 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1)N1CCCCCC1 ZINC000360035576 1030718314 /nfs/dbraw/zinc/71/83/14/1030718314.db2.gz JVZKZCACKJIERS-QGZVFWFLSA-N 1 2 341.455 3.757 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H](C)[C@H]2CCCOC2)c2ccc(Cl)cc2)no1 ZINC000527232833 1030747074 /nfs/dbraw/zinc/74/70/74/1030747074.db2.gz HXQWJUCORDKKFO-DIOULYMOSA-N 1 2 335.835 3.526 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(c3ccccc3)CCC2)c2cn[nH]n2)cc1 ZINC000550891996 1030775519 /nfs/dbraw/zinc/77/55/19/1030775519.db2.gz WSYZHGQPLHAHQN-LJQANCHMSA-N 1 2 336.414 3.745 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(c3ccccc3)CCC2)c2c[nH]nn2)cc1 ZINC000550891996 1030775528 /nfs/dbraw/zinc/77/55/28/1030775528.db2.gz WSYZHGQPLHAHQN-LJQANCHMSA-N 1 2 336.414 3.745 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc2ncsc2c1 ZINC000171519032 1030789267 /nfs/dbraw/zinc/78/92/67/1030789267.db2.gz QXHVZEFPFLYTME-UHFFFAOYSA-N 1 2 341.440 3.705 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000527325030 1030795644 /nfs/dbraw/zinc/79/56/44/1030795644.db2.gz CIJZSFPFDGJEFT-AUUYWEPGSA-N 1 2 334.423 3.857 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1F ZINC000171613918 1030800274 /nfs/dbraw/zinc/80/02/74/1030800274.db2.gz NFWQQWHVXSDIAE-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1F ZINC000171613918 1030800297 /nfs/dbraw/zinc/80/02/97/1030800297.db2.gz NFWQQWHVXSDIAE-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+]Cc2ncc(C)s2)cc1Cl ZINC000123007985 1030834504 /nfs/dbraw/zinc/83/45/04/1030834504.db2.gz STGRTETZIWKLHE-JTQLQIEISA-N 1 2 326.849 3.973 20 0 EHADLO CCO[C@H](C)c1nc(CC(=O)Nc2c(C)cc(C)[nH+]c2C)cs1 ZINC000343427691 1030835767 /nfs/dbraw/zinc/83/57/67/1030835767.db2.gz GGILNMQPOLOMJX-CYBMUJFWSA-N 1 2 333.457 3.742 20 0 EHADLO CC(C)(CC(=O)N1CC(n2cc[nH+]c2)C1)Cc1ccc(Cl)cc1 ZINC000527358240 1030849881 /nfs/dbraw/zinc/84/98/81/1030849881.db2.gz HAPNTUBBOGQVEU-UHFFFAOYSA-N 1 2 331.847 3.579 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000666034047 1030857669 /nfs/dbraw/zinc/85/76/69/1030857669.db2.gz ZJEXGZWLZMNZNQ-SFHVURJKSA-N 1 2 342.443 3.518 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000016632690 1030865783 /nfs/dbraw/zinc/86/57/83/1030865783.db2.gz HSOJKWXLYNPMFA-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000016632690 1030865808 /nfs/dbraw/zinc/86/58/08/1030865808.db2.gz HSOJKWXLYNPMFA-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO Cn1cccc1[C@H]1CCCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000172252984 1030875665 /nfs/dbraw/zinc/87/56/65/1030875665.db2.gz PEUSIFYETHWHFC-OJLWIZQOSA-N 1 2 346.434 3.588 20 0 EHADLO Cn1cccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000172252978 1030876282 /nfs/dbraw/zinc/87/62/82/1030876282.db2.gz PEUSIFYETHWHFC-ZBWUASRJSA-N 1 2 346.434 3.588 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000357981869 1030908888 /nfs/dbraw/zinc/90/88/88/1030908888.db2.gz GQAPIAKOPFZQMG-WBMJQRKESA-N 1 2 334.851 3.660 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(OC)c(Cl)c2)o1 ZINC000546640391 1030926426 /nfs/dbraw/zinc/92/64/26/1030926426.db2.gz APRNFJXBROOCCX-HNNXBMFYSA-N 1 2 336.819 3.820 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(OC)c(Cl)c2)o1 ZINC000546640391 1030926438 /nfs/dbraw/zinc/92/64/38/1030926438.db2.gz APRNFJXBROOCCX-HNNXBMFYSA-N 1 2 336.819 3.820 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)cs1 ZINC000527509802 1030941436 /nfs/dbraw/zinc/94/14/36/1030941436.db2.gz KZBONVKRDUEVAR-UHFFFAOYSA-N 1 2 347.875 3.572 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)cs1 ZINC000527509802 1030941447 /nfs/dbraw/zinc/94/14/47/1030941447.db2.gz KZBONVKRDUEVAR-UHFFFAOYSA-N 1 2 347.875 3.572 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC2(CC2)c2ccccc21 ZINC000172480201 1030963552 /nfs/dbraw/zinc/96/35/52/1030963552.db2.gz UBPLVQIKVZXTFK-UHFFFAOYSA-N 1 2 344.418 3.634 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(-c2ccncc2)s1 ZINC000172774680 1030995811 /nfs/dbraw/zinc/99/58/11/1030995811.db2.gz QJZGOPSYIHHQAR-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000173051307 1031050269 /nfs/dbraw/zinc/05/02/69/1031050269.db2.gz UKUVVBOTYKYCIT-VMPITWQZSA-N 1 2 345.446 3.639 20 0 EHADLO Fc1cccc(C2([NH2+]Cc3ncc(Br)cc3F)CC2)c1 ZINC000527663824 1031089918 /nfs/dbraw/zinc/08/99/18/1031089918.db2.gz DROXRXGHYGHHEL-UHFFFAOYSA-N 1 2 339.183 3.901 20 0 EHADLO C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173752076 1031102511 /nfs/dbraw/zinc/10/25/11/1031102511.db2.gz JQRHAQWXUCOSHE-INIZCTEOSA-N 1 2 346.434 3.605 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483362214 1031123383 /nfs/dbraw/zinc/12/33/83/1031123383.db2.gz XQBOPDRSVDWNNJ-FZKQIMNGSA-N 1 2 325.399 3.686 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483362214 1031123387 /nfs/dbraw/zinc/12/33/87/1031123387.db2.gz XQBOPDRSVDWNNJ-FZKQIMNGSA-N 1 2 325.399 3.686 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000483358554 1031124601 /nfs/dbraw/zinc/12/46/01/1031124601.db2.gz MNAAARUXFUILSF-QGZVFWFLSA-N 1 2 326.444 3.622 20 0 EHADLO CC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC(F)(F)CC1 ZINC000527696470 1031129598 /nfs/dbraw/zinc/12/95/98/1031129598.db2.gz JUOGGPSOFOHGRQ-UHFFFAOYSA-N 1 2 342.455 3.608 20 0 EHADLO Cc1cc(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)ccc1Cl ZINC000551199223 1031134295 /nfs/dbraw/zinc/13/42/95/1031134295.db2.gz XLPPWCJYQVAFGA-KRWDZBQOSA-N 1 2 344.821 3.827 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC2(CCC2)C1 ZINC000343500485 1031138558 /nfs/dbraw/zinc/13/85/58/1031138558.db2.gz ANBGEFXYNNCXLY-UHFFFAOYSA-N 1 2 334.489 3.537 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)nn2C)cc1Cl ZINC000668240855 1031141450 /nfs/dbraw/zinc/14/14/50/1031141450.db2.gz VCSPZRMEFYBSIC-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)cc1Cl ZINC000668240855 1031141458 /nfs/dbraw/zinc/14/14/58/1031141458.db2.gz VCSPZRMEFYBSIC-UHFFFAOYSA-N 1 2 347.768 3.733 20 0 EHADLO CC(C)(C)c1nc(CNC[C@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000657807795 1031141375 /nfs/dbraw/zinc/14/13/75/1031141375.db2.gz RLUQIKIHFIWXCR-QGZVFWFLSA-N 1 2 329.513 3.805 20 0 EHADLO CC(C)(C)c1nc(CNC[C@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000657807795 1031141384 /nfs/dbraw/zinc/14/13/84/1031141384.db2.gz RLUQIKIHFIWXCR-QGZVFWFLSA-N 1 2 329.513 3.805 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000314894608 1031171440 /nfs/dbraw/zinc/17/14/40/1031171440.db2.gz BSZUKBGZALWTTF-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO CCC1([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000379727147 1031186772 /nfs/dbraw/zinc/18/67/72/1031186772.db2.gz XFGVUJHFAYRYGX-UHFFFAOYSA-N 1 2 349.066 3.949 20 0 EHADLO Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132081298 1031231439 /nfs/dbraw/zinc/23/14/39/1031231439.db2.gz BXYZRJRKLQERIB-LLVKDONJSA-N 1 2 342.374 3.749 20 0 EHADLO CCCOC1(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCCC1 ZINC000483669087 1031271493 /nfs/dbraw/zinc/27/14/93/1031271493.db2.gz JCVDBMDUWJEUFZ-UHFFFAOYSA-N 1 2 344.459 3.894 20 0 EHADLO COC1CCC(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000685242861 1031273817 /nfs/dbraw/zinc/27/38/17/1031273817.db2.gz FQKIEJJITHCAPU-UHFFFAOYSA-N 1 2 338.411 3.654 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@H](c3nnc[nH]3)c3ccccc3)c[nH]c21 ZINC000343539824 1031309073 /nfs/dbraw/zinc/30/90/73/1031309073.db2.gz QFRGYLDHXBSHDV-IBGZPJMESA-N 1 2 331.423 3.516 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000477240114 1031368413 /nfs/dbraw/zinc/36/84/13/1031368413.db2.gz YQHLXCOJYDXAET-SFHVURJKSA-N 1 2 342.483 3.736 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000551508208 1031395037 /nfs/dbraw/zinc/39/50/37/1031395037.db2.gz RSEVQDPEODRSCM-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000551508208 1031395051 /nfs/dbraw/zinc/39/50/51/1031395051.db2.gz RSEVQDPEODRSCM-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C)c1cccc2ccccc21 ZINC000477304775 1031418716 /nfs/dbraw/zinc/41/87/16/1031418716.db2.gz FZFIAWMSGJABDS-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C)c1cccc2ccccc21 ZINC000477304775 1031418728 /nfs/dbraw/zinc/41/87/28/1031418728.db2.gz FZFIAWMSGJABDS-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC(C2CCC2)C2CCC2)c2nnc[nH]2)cc1 ZINC000527925967 1031419096 /nfs/dbraw/zinc/41/90/96/1031419096.db2.gz CEAIMUDMBZULLI-GOSISDBHSA-N 1 2 328.435 3.839 20 0 EHADLO CCC1(C(=O)NCCCCNc2cccc[nH+]2)CCC(F)(F)CC1 ZINC000668297946 1031421290 /nfs/dbraw/zinc/42/12/90/1031421290.db2.gz HQLDQJJRAMZQEG-UHFFFAOYSA-N 1 2 339.430 3.996 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000102407395 1031422230 /nfs/dbraw/zinc/42/22/30/1031422230.db2.gz BEWGOLXVFMPBND-CYBMUJFWSA-N 1 2 336.382 3.599 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000102407395 1031422242 /nfs/dbraw/zinc/42/22/42/1031422242.db2.gz BEWGOLXVFMPBND-CYBMUJFWSA-N 1 2 336.382 3.599 20 0 EHADLO COCc1nc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cs1 ZINC000527900213 1031424998 /nfs/dbraw/zinc/42/49/98/1031424998.db2.gz LCSWRZXKBRLURP-CQSZACIVSA-N 1 2 326.824 3.859 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)ccc1O ZINC000177049786 1031481316 /nfs/dbraw/zinc/48/13/16/1031481316.db2.gz MDGYDVULKVXRHI-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)ccc1O ZINC000177049786 1031481328 /nfs/dbraw/zinc/48/13/28/1031481328.db2.gz MDGYDVULKVXRHI-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC000083415789 1031498435 /nfs/dbraw/zinc/49/84/35/1031498435.db2.gz PTKZLWJRMGKECD-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC000083415789 1031498447 /nfs/dbraw/zinc/49/84/47/1031498447.db2.gz PTKZLWJRMGKECD-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000347428076 1031511339 /nfs/dbraw/zinc/51/13/39/1031511339.db2.gz JKDVYMGOQVLBPQ-OAHLLOKOSA-N 1 2 325.437 3.655 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347433262 1031530329 /nfs/dbraw/zinc/53/03/29/1031530329.db2.gz PSGGHRJNEGRQFV-RDJZCZTQSA-N 1 2 343.496 3.697 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cs1 ZINC000177467022 1031542838 /nfs/dbraw/zinc/54/28/38/1031542838.db2.gz KYDPKCLJWGBRFQ-MRXNPFEDSA-N 1 2 338.517 3.601 20 0 EHADLO Cc1c(C(=O)NCCCCn2cc[nH+]c2)sc2cccc(F)c12 ZINC000060408006 1031555456 /nfs/dbraw/zinc/55/54/56/1031555456.db2.gz UCVWFYUCMUXATE-UHFFFAOYSA-N 1 2 331.416 3.756 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347441644 1031590576 /nfs/dbraw/zinc/59/05/76/1031590576.db2.gz LCMMULQSDRRWCL-RTBURBONSA-N 1 2 339.483 3.956 20 0 EHADLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000194878280 1031596246 /nfs/dbraw/zinc/59/62/46/1031596246.db2.gz HYOGAOGMJXFYJK-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2F)nn1C ZINC000527983419 1031596519 /nfs/dbraw/zinc/59/65/19/1031596519.db2.gz DECLCGFJSFYNEM-SECBINFHSA-N 1 2 344.203 3.620 20 0 EHADLO Fc1ccc2ncnc(N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c2c1 ZINC000685261516 1031597597 /nfs/dbraw/zinc/59/75/97/1031597597.db2.gz KZLDGSKWROIOES-SHTZXODSSA-N 1 2 337.402 3.999 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528036059 1031615979 /nfs/dbraw/zinc/61/59/79/1031615979.db2.gz OGAUEUYEKPIZOK-NEPJUHHUSA-N 1 2 331.391 3.600 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)n1cc[nH+]c1 ZINC000551752430 1031622511 /nfs/dbraw/zinc/62/25/11/1031622511.db2.gz ZUYVWCOFAHTZAJ-JTQLQIEISA-N 1 2 348.378 3.875 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc(Cl)cc21 ZINC000635451400 1031626204 /nfs/dbraw/zinc/62/62/04/1031626204.db2.gz NNUQSWODAORULM-ZDUSSCGKSA-N 1 2 343.736 3.619 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccsc2S1 ZINC000178284635 1031652948 /nfs/dbraw/zinc/65/29/48/1031652948.db2.gz JSVRBQMYGNGUEL-AAEUAGOBSA-N 1 2 334.514 3.781 20 0 EHADLO Cc1ccccc1-c1nc(C(=O)NCc2ccn3cc[nH+]c3c2)cs1 ZINC000178388821 1031692675 /nfs/dbraw/zinc/69/26/75/1031692675.db2.gz VOSREKRHMULXQW-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)n2)C1 ZINC000667017117 1031699183 /nfs/dbraw/zinc/69/91/83/1031699183.db2.gz ILEJCVRUFYKLQL-OCVGTWLNSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)n2)C1 ZINC000667017117 1031699195 /nfs/dbraw/zinc/69/91/95/1031699195.db2.gz ILEJCVRUFYKLQL-OCVGTWLNSA-N 1 2 333.501 3.750 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1Cl ZINC000278629295 1031723164 /nfs/dbraw/zinc/72/31/64/1031723164.db2.gz GJCIXTLRYANPTL-ZETCQYMHSA-N 1 2 349.706 3.867 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1Cl ZINC000278629295 1031723177 /nfs/dbraw/zinc/72/31/77/1031723177.db2.gz GJCIXTLRYANPTL-ZETCQYMHSA-N 1 2 349.706 3.867 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2s1 ZINC000178815538 1031733361 /nfs/dbraw/zinc/73/33/61/1031733361.db2.gz ICJVYSWWMFHWEC-GXTWGEPZSA-N 1 2 325.437 3.538 20 0 EHADLO CCCc1ccc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000178824008 1031736748 /nfs/dbraw/zinc/73/67/48/1031736748.db2.gz JFMDYRAWUXWHAS-UYAOXDASSA-N 1 2 339.483 3.912 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000448831721 1031739127 /nfs/dbraw/zinc/73/91/27/1031739127.db2.gz AVONIPGDOBBDOM-UHFFFAOYSA-N 1 2 325.437 3.504 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cnn4ccccc34)CCO2)cc1 ZINC000179353850 1031739924 /nfs/dbraw/zinc/73/99/24/1031739924.db2.gz PKQBFZPXNLMOLP-SFHVURJKSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cnn4ccccc34)CCO2)cc1 ZINC000179353850 1031739937 /nfs/dbraw/zinc/73/99/37/1031739937.db2.gz PKQBFZPXNLMOLP-SFHVURJKSA-N 1 2 327.815 3.561 20 0 EHADLO O=C(Nc1ccccc1O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528115954 1031743221 /nfs/dbraw/zinc/74/32/21/1031743221.db2.gz RLJPEYAXPPFAFJ-MRXNPFEDSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccccc1O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528115954 1031743234 /nfs/dbraw/zinc/74/32/34/1031743234.db2.gz RLJPEYAXPPFAFJ-MRXNPFEDSA-N 1 2 330.815 3.649 20 0 EHADLO Cc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000584116880 1031750456 /nfs/dbraw/zinc/75/04/56/1031750456.db2.gz NOQGXLSNTMCQFN-NSHDSACASA-N 1 2 341.333 3.722 20 0 EHADLO COCc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000179237053 1031760942 /nfs/dbraw/zinc/76/09/42/1031760942.db2.gz BDANSHSKGJDYCF-UHFFFAOYSA-N 1 2 338.495 3.929 20 0 EHADLO CC(=O)Nc1ccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923795783 1031764698 /nfs/dbraw/zinc/76/46/98/1031764698.db2.gz ARMKADAQOPAACK-MRXNPFEDSA-N 1 2 339.399 3.527 20 0 EHADLO CCO[C@@H](c1noc(Cc2cn3cc(F)ccc3[nH+]2)n1)C1CCCC1 ZINC000904139944 1031767517 /nfs/dbraw/zinc/76/75/17/1031767517.db2.gz XLIKZSBGGNHPEN-QGZVFWFLSA-N 1 2 344.390 3.715 20 0 EHADLO O=C(NC1(c2nccs2)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117674935 1031794387 /nfs/dbraw/zinc/79/43/87/1031794387.db2.gz GOOXDCWVKANMPS-UHFFFAOYSA-N 1 2 338.436 3.528 20 0 EHADLO CC(C)SCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000551936165 1031795056 /nfs/dbraw/zinc/79/50/56/1031795056.db2.gz GRFFOYIKYAZIOO-UHFFFAOYSA-N 1 2 334.529 3.596 20 0 EHADLO CCCCOc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001211610370 1031798279 /nfs/dbraw/zinc/79/82/79/1031798279.db2.gz RYHZFPYJYFPVOP-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000904150836 1031798810 /nfs/dbraw/zinc/79/88/10/1031798810.db2.gz VJRPPYWYPZEANL-JKSUJKDBSA-N 1 2 330.453 3.649 20 0 EHADLO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000904150836 1031798821 /nfs/dbraw/zinc/79/88/21/1031798821.db2.gz VJRPPYWYPZEANL-JKSUJKDBSA-N 1 2 330.453 3.649 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccon3)no2)cc1 ZINC000528150320 1031800221 /nfs/dbraw/zinc/80/02/21/1031800221.db2.gz XDFWKHKKNYRAHX-AWEZNQCLSA-N 1 2 330.775 3.715 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccon3)no2)cc1 ZINC000528150320 1031800229 /nfs/dbraw/zinc/80/02/29/1031800229.db2.gz XDFWKHKKNYRAHX-AWEZNQCLSA-N 1 2 330.775 3.715 20 0 EHADLO Cc1cccc(O[C@H](C)CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000460564965 1031864363 /nfs/dbraw/zinc/86/43/63/1031864363.db2.gz NBWUXAMVOFVDIH-QGZVFWFLSA-N 1 2 349.434 3.686 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000180234799 1031870415 /nfs/dbraw/zinc/87/04/15/1031870415.db2.gz ZEITWBJXJJSFSH-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(-c2cccs2)n1 ZINC000180545545 1031887591 /nfs/dbraw/zinc/88/75/91/1031887591.db2.gz KKJCTNPSYFBISB-HNNXBMFYSA-N 1 2 345.493 3.784 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(-c2cccs2)n1 ZINC000180545545 1031887610 /nfs/dbraw/zinc/88/76/10/1031887610.db2.gz KKJCTNPSYFBISB-HNNXBMFYSA-N 1 2 345.493 3.784 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)CCc2cccc(F)c2)n1 ZINC000904269452 1031897275 /nfs/dbraw/zinc/89/72/75/1031897275.db2.gz GSDQRLUFKVELBS-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+](Cc2ccccn2)C2CC2)C2CC2)CC1 ZINC000180855577 1031916507 /nfs/dbraw/zinc/91/65/07/1031916507.db2.gz CKAYMGQJCBGYKQ-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+](Cc2ccccn2)C2CC2)C2CC2)CC1 ZINC000180855577 1031916521 /nfs/dbraw/zinc/91/65/21/1031916521.db2.gz CKAYMGQJCBGYKQ-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000460672904 1031948219 /nfs/dbraw/zinc/94/82/19/1031948219.db2.gz OAIXFTMHBNEZIL-UHFFFAOYSA-N 1 2 345.830 3.761 20 0 EHADLO Brc1ccccc1-c1cnc(C[NH+]2CCSCC2)o1 ZINC000159294972 1031985316 /nfs/dbraw/zinc/98/53/16/1031985316.db2.gz CJSLEVHTWIQVBL-UHFFFAOYSA-N 1 2 339.258 3.653 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000455813294 1032017234 /nfs/dbraw/zinc/01/72/34/1032017234.db2.gz HNEWJHQECZZNKB-UHFFFAOYSA-N 1 2 340.427 3.591 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000195087735 1032031687 /nfs/dbraw/zinc/03/16/87/1032031687.db2.gz FBTXGIMXKXCUGT-ZDUSSCGKSA-N 1 2 336.395 3.546 20 0 EHADLO C[C@@H]([NH2+]CCOCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000459403059 1032047455 /nfs/dbraw/zinc/04/74/55/1032047455.db2.gz KLBZHYOAQGLWNL-OAHLLOKOSA-N 1 2 329.444 3.518 20 0 EHADLO COCCc1noc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000181958202 1032047482 /nfs/dbraw/zinc/04/74/82/1032047482.db2.gz YATQFXBSHWMOGZ-HVHJFMEUSA-N 1 2 347.484 3.778 20 0 EHADLO COCCc1noc(C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000181958202 1032047497 /nfs/dbraw/zinc/04/74/97/1032047497.db2.gz YATQFXBSHWMOGZ-HVHJFMEUSA-N 1 2 347.484 3.778 20 0 EHADLO O=C(C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1)N1CCCC1 ZINC000449007533 1032048219 /nfs/dbraw/zinc/04/82/19/1032048219.db2.gz DSATZKFXLLIYLI-UHFFFAOYSA-N 1 2 347.311 3.889 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000449009783 1032051710 /nfs/dbraw/zinc/05/17/10/1032051710.db2.gz IYEANZDPSNCAJK-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000449009780 1032052364 /nfs/dbraw/zinc/05/23/64/1032052364.db2.gz IYEANZDPSNCAJK-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO CCc1ccc(C[N@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1 ZINC000449011949 1032057244 /nfs/dbraw/zinc/05/72/44/1032057244.db2.gz WRVZJCWRDSYOIA-UHFFFAOYSA-N 1 2 343.492 3.817 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1 ZINC000449011949 1032057260 /nfs/dbraw/zinc/05/72/60/1032057260.db2.gz WRVZJCWRDSYOIA-UHFFFAOYSA-N 1 2 343.492 3.817 20 0 EHADLO CC1(Cc2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)CCCC1 ZINC000685404350 1033295945 /nfs/dbraw/zinc/29/59/45/1033295945.db2.gz ZFNQPVBRXKXDTG-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)nn1 ZINC000685411075 1033297396 /nfs/dbraw/zinc/29/73/96/1033297396.db2.gz ZNZMXNPGUWXFGR-HXUWFJFHSA-N 1 2 334.423 3.618 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)nn1 ZINC000685411075 1033297408 /nfs/dbraw/zinc/29/74/08/1033297408.db2.gz ZNZMXNPGUWXFGR-HXUWFJFHSA-N 1 2 334.423 3.618 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2cccs2)C1 ZINC000173404766 1033308273 /nfs/dbraw/zinc/30/82/73/1033308273.db2.gz TWHAHQYFAWLARL-ZDUSSCGKSA-N 1 2 336.526 3.618 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2cccs2)C1 ZINC000173404766 1033308285 /nfs/dbraw/zinc/30/82/85/1033308285.db2.gz TWHAHQYFAWLARL-ZDUSSCGKSA-N 1 2 336.526 3.618 20 0 EHADLO CCn1ccc(C[N@H+](C)Cc2ccc(OC)cc2Br)c1 ZINC000685429084 1033325922 /nfs/dbraw/zinc/32/59/22/1033325922.db2.gz RREROCTYBPRYPU-UHFFFAOYSA-N 1 2 337.261 3.911 20 0 EHADLO CCn1ccc(C[N@@H+](C)Cc2ccc(OC)cc2Br)c1 ZINC000685429084 1033325931 /nfs/dbraw/zinc/32/59/31/1033325931.db2.gz RREROCTYBPRYPU-UHFFFAOYSA-N 1 2 337.261 3.911 20 0 EHADLO CCCc1csc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000574622725 1033326049 /nfs/dbraw/zinc/32/60/49/1033326049.db2.gz ITRHNYZACIWZEZ-INIZCTEOSA-N 1 2 344.528 3.926 20 0 EHADLO CCCc1csc(CN2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000574622725 1033326078 /nfs/dbraw/zinc/32/60/78/1033326078.db2.gz ITRHNYZACIWZEZ-INIZCTEOSA-N 1 2 344.528 3.926 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000574635300 1033326838 /nfs/dbraw/zinc/32/68/38/1033326838.db2.gz LAHIXJPOSDUTPP-HUUCEWRRSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000574635300 1033326850 /nfs/dbraw/zinc/32/68/50/1033326850.db2.gz LAHIXJPOSDUTPP-HUUCEWRRSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000607876520 1033344961 /nfs/dbraw/zinc/34/49/61/1033344961.db2.gz HNUTWOYRAVSMPY-KRWDZBQOSA-N 1 2 335.451 3.549 20 0 EHADLO COc1cccc(C2(C(=O)Nc3cccc4[nH+]ccn43)CCCC2)c1 ZINC000607852195 1033360109 /nfs/dbraw/zinc/36/01/09/1033360109.db2.gz YUQJFIGAKGOYSL-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120115202 1033373137 /nfs/dbraw/zinc/37/31/37/1033373137.db2.gz RGHLHSGPCCCZRB-GJZGRUSLSA-N 1 2 347.890 3.685 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120115202 1033373154 /nfs/dbraw/zinc/37/31/54/1033373154.db2.gz RGHLHSGPCCCZRB-GJZGRUSLSA-N 1 2 347.890 3.685 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000050448028 1033374266 /nfs/dbraw/zinc/37/42/66/1033374266.db2.gz CRWBPYAPMSSPST-CHWSQXEVSA-N 1 2 344.377 3.692 20 0 EHADLO O[C@@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C[C@@H]1F ZINC000898187377 1033386005 /nfs/dbraw/zinc/38/60/05/1033386005.db2.gz FSEPPZGHPUSYLC-JPZWTCJMSA-N 1 2 341.426 3.684 20 0 EHADLO O[C@@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C[C@@H]1F ZINC000898187377 1033386012 /nfs/dbraw/zinc/38/60/12/1033386012.db2.gz FSEPPZGHPUSYLC-JPZWTCJMSA-N 1 2 341.426 3.684 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000120141573 1033392404 /nfs/dbraw/zinc/39/24/04/1033392404.db2.gz OWRANLCCNSQWBT-ZDUSSCGKSA-N 1 2 348.397 3.844 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCOC[C@@H]1c1ccccc1Cl)C2 ZINC001168285369 1033403135 /nfs/dbraw/zinc/40/31/35/1033403135.db2.gz FYVCRFCNJQNFDB-OXJNMPFZSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@@H]1c1ccccc1Cl)C2 ZINC001168285369 1033403147 /nfs/dbraw/zinc/40/31/47/1033403147.db2.gz FYVCRFCNJQNFDB-OXJNMPFZSA-N 1 2 343.854 3.889 20 0 EHADLO Cc1[nH+]ccn1CCCN(C)Cc1cc(F)ccc1Br ZINC000136296758 1033403977 /nfs/dbraw/zinc/40/39/77/1033403977.db2.gz FDJCFJWRTBUXOH-UHFFFAOYSA-N 1 2 340.240 3.615 20 0 EHADLO Cc1ccc(N(C(=O)CCCn2cc[nH+]c2)C2CCCCC2)nc1 ZINC000594544131 1033411943 /nfs/dbraw/zinc/41/19/43/1033411943.db2.gz NJUDQYTWCMACDZ-UHFFFAOYSA-N 1 2 326.444 3.733 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(C(C)C)n1 ZINC000449913918 1033418948 /nfs/dbraw/zinc/41/89/48/1033418948.db2.gz SUPMDGPHEZDCGX-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(CCOC)CCCC2)n1 ZINC000898312798 1033448736 /nfs/dbraw/zinc/44/87/36/1033448736.db2.gz NPUOKXVDNVWHLC-UHFFFAOYSA-N 1 2 339.505 3.520 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000608066074 1033456934 /nfs/dbraw/zinc/45/69/34/1033456934.db2.gz XWTCKMWVUQQBMD-LBPRGKRZSA-N 1 2 338.190 3.945 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000669673205 1033458691 /nfs/dbraw/zinc/45/86/91/1033458691.db2.gz QBIPICQWJBXYQQ-WBVHZDCISA-N 1 2 329.488 3.752 20 0 EHADLO Cc1nc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc[nH+]1 ZINC000608082158 1033465200 /nfs/dbraw/zinc/46/52/00/1033465200.db2.gz OFVZJRZVOGAAEY-UHFFFAOYSA-N 1 2 326.375 3.648 20 0 EHADLO OCc1ccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000608054414 1033473203 /nfs/dbraw/zinc/47/32/03/1033473203.db2.gz QBPARZGIELGNQF-UHFFFAOYSA-N 1 2 329.346 3.929 20 0 EHADLO Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1Cl ZINC000449957320 1033491260 /nfs/dbraw/zinc/49/12/60/1033491260.db2.gz CEDVFVNDTFATLN-SNVBAGLBSA-N 1 2 326.227 3.564 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000061055951 1033513957 /nfs/dbraw/zinc/51/39/57/1033513957.db2.gz HJTVFEPXJBDRQG-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000608212812 1033546378 /nfs/dbraw/zinc/54/63/78/1033546378.db2.gz BTUNMSMERLYYEP-LJQANCHMSA-N 1 2 335.382 3.658 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000537516709 1033546622 /nfs/dbraw/zinc/54/66/22/1033546622.db2.gz HBLQWQVKUAIOAV-JLTOFOAXSA-N 1 2 345.389 4.000 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000537516709 1033546629 /nfs/dbraw/zinc/54/66/29/1033546629.db2.gz HBLQWQVKUAIOAV-JLTOFOAXSA-N 1 2 345.389 4.000 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120260724 1033551291 /nfs/dbraw/zinc/55/12/91/1033551291.db2.gz ITUNBWUJEKTWBD-CQSZACIVSA-N 1 2 333.476 3.510 20 0 EHADLO Cc1ccccc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608260120 1033554771 /nfs/dbraw/zinc/55/47/71/1033554771.db2.gz GEBJVEORCYHGEY-GOSISDBHSA-N 1 2 334.423 3.834 20 0 EHADLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001140701943 1033583127 /nfs/dbraw/zinc/58/31/27/1033583127.db2.gz CKUFWWWOMRQQIY-UHFFFAOYSA-N 1 2 344.833 3.840 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000685590686 1033597340 /nfs/dbraw/zinc/59/73/40/1033597340.db2.gz WVHPUYPGLTZFHQ-WDEREUQCSA-N 1 2 348.340 3.592 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000685590686 1033597349 /nfs/dbraw/zinc/59/73/49/1033597349.db2.gz WVHPUYPGLTZFHQ-WDEREUQCSA-N 1 2 348.340 3.592 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000608333491 1033608170 /nfs/dbraw/zinc/60/81/70/1033608170.db2.gz BPUCKNLKYYIJDK-LBPRGKRZSA-N 1 2 333.461 3.506 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045262326 1033611799 /nfs/dbraw/zinc/61/17/99/1033611799.db2.gz IRQVWUVQPIYPJK-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1O ZINC000685654470 1033686798 /nfs/dbraw/zinc/68/67/98/1033686798.db2.gz LJZAPWPPISJXLA-LBPRGKRZSA-N 1 2 334.416 3.555 20 0 EHADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118635 1033729873 /nfs/dbraw/zinc/72/98/73/1033729873.db2.gz JPFNAGNQGAMWNA-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2cccc(Br)c2Cl)cnn1C ZINC000574970152 1033743205 /nfs/dbraw/zinc/74/32/05/1033743205.db2.gz VJPCBPSWEKGFNW-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1nc(C)c2ccccc2n1 ZINC000107896141 1033741153 /nfs/dbraw/zinc/74/11/53/1033741153.db2.gz TZWHYARGXSTLOW-UHFFFAOYSA-N 1 2 335.407 3.689 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1nc(C)c2ccccc2n1 ZINC000107896141 1033741168 /nfs/dbraw/zinc/74/11/68/1033741168.db2.gz TZWHYARGXSTLOW-UHFFFAOYSA-N 1 2 335.407 3.689 20 0 EHADLO Cc1c(C[N@H+](C)Cc2cccc(Br)c2Cl)cnn1C ZINC000574970152 1033743191 /nfs/dbraw/zinc/74/31/91/1033743191.db2.gz VJPCBPSWEKGFNW-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO C[C@H](CC(=O)N(CCc1ccccc1F)C1CCCC1)n1cc[nH+]c1 ZINC000574992488 1033753470 /nfs/dbraw/zinc/75/34/70/1033753470.db2.gz MKHZNEMJXCJBOA-MRXNPFEDSA-N 1 2 343.446 3.987 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000529289255 1033773611 /nfs/dbraw/zinc/77/36/11/1033773611.db2.gz NZWMJVZCMYTJBE-UHFFFAOYSA-N 1 2 344.846 3.894 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000595428385 1033797923 /nfs/dbraw/zinc/79/79/23/1033797923.db2.gz IQZHWTBEOVZNFS-CYBMUJFWSA-N 1 2 341.411 3.800 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)c1nccs1 ZINC000595427138 1033799460 /nfs/dbraw/zinc/79/94/60/1033799460.db2.gz RBZHMGBPWATUBK-SMDDNHRTSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000595427138 1033799474 /nfs/dbraw/zinc/79/94/74/1033799474.db2.gz RBZHMGBPWATUBK-SMDDNHRTSA-N 1 2 338.860 3.746 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179166 1033805638 /nfs/dbraw/zinc/80/56/38/1033805638.db2.gz FBUVAOISTMBMDC-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179166 1033805647 /nfs/dbraw/zinc/80/56/47/1033805647.db2.gz FBUVAOISTMBMDC-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc4cnccc4o3)n2)c1 ZINC000657995237 1033821039 /nfs/dbraw/zinc/82/10/39/1033821039.db2.gz LHMONPXXEXIGNX-OLZOCXBDSA-N 1 2 348.410 3.728 20 0 EHADLO c1cn(CCCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c[nH+]1 ZINC000603635478 1033822899 /nfs/dbraw/zinc/82/28/99/1033822899.db2.gz QDXVQEQSNZUPRH-UHFFFAOYSA-N 1 2 347.378 3.753 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@@H](C(F)(F)F)O1 ZINC000608752037 1033864222 /nfs/dbraw/zinc/86/42/22/1033864222.db2.gz ZXDWHXVOBZDWTF-RISCZKNCSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@@H](C(F)(F)F)O1 ZINC000608752037 1033864232 /nfs/dbraw/zinc/86/42/32/1033864232.db2.gz ZXDWHXVOBZDWTF-RISCZKNCSA-N 1 2 337.769 3.761 20 0 EHADLO Fc1cccc(F)c1-c1nc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)co1 ZINC001168309193 1033864694 /nfs/dbraw/zinc/86/46/94/1033864694.db2.gz KYSSKUQGQVSWJH-WDEREUQCSA-N 1 2 326.293 3.707 20 0 EHADLO Fc1cccc(F)c1-c1nc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)co1 ZINC001168309193 1033864705 /nfs/dbraw/zinc/86/47/05/1033864705.db2.gz KYSSKUQGQVSWJH-WDEREUQCSA-N 1 2 326.293 3.707 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1ccn(CC(F)(F)F)n1 ZINC000450210806 1033901430 /nfs/dbraw/zinc/90/14/30/1033901430.db2.gz LKHNGHLUWHJXHB-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccn(CC(F)(F)F)n1 ZINC000450210806 1033901432 /nfs/dbraw/zinc/90/14/32/1033901432.db2.gz LKHNGHLUWHJXHB-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(COc3ccccc3)CC2)n1 ZINC000055081985 1033910517 /nfs/dbraw/zinc/91/05/17/1033910517.db2.gz KEKRMOCZLMBCPL-UHFFFAOYSA-N 1 2 329.444 3.703 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4nccc5ccccc54)no3)[nH+]c12 ZINC000603781165 1033918827 /nfs/dbraw/zinc/91/88/27/1033918827.db2.gz PQBCETWUBZRJCW-UHFFFAOYSA-N 1 2 341.374 3.832 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000055089959 1033921715 /nfs/dbraw/zinc/92/17/15/1033921715.db2.gz CBIZHYRATODJND-HXUWFJFHSA-N 1 2 348.450 3.973 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000055152491 1033928852 /nfs/dbraw/zinc/92/88/52/1033928852.db2.gz MKVROLLUEVCIML-BFUOFWGJSA-N 1 2 342.414 3.505 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000608856924 1033933428 /nfs/dbraw/zinc/93/34/28/1033933428.db2.gz JFPXUUDKVOEETM-GFCCVEGCSA-N 1 2 333.453 3.687 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000608856924 1033933441 /nfs/dbraw/zinc/93/34/41/1033933441.db2.gz JFPXUUDKVOEETM-GFCCVEGCSA-N 1 2 333.453 3.687 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cn1c3ccccc3n(C)c1=S)CC2 ZINC000064028420 1033939623 /nfs/dbraw/zinc/93/96/23/1033939623.db2.gz XOZBCTKQLGOMRD-UHFFFAOYSA-N 1 2 339.464 3.734 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cn1c3ccccc3n(C)c1=S)CC2 ZINC000064028420 1033939637 /nfs/dbraw/zinc/93/96/37/1033939637.db2.gz XOZBCTKQLGOMRD-UHFFFAOYSA-N 1 2 339.464 3.734 20 0 EHADLO COc1ccc(CCC2CC[NH+]([C@@H](C)c3csnn3)CC2)cc1 ZINC000450252404 1033969277 /nfs/dbraw/zinc/96/92/77/1033969277.db2.gz YUZZQBNRWFMJDW-AWEZNQCLSA-N 1 2 331.485 3.953 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063135 1033982614 /nfs/dbraw/zinc/98/26/14/1033982614.db2.gz FQGBOMVQTSZSDT-RTBURBONSA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063135 1033982632 /nfs/dbraw/zinc/98/26/32/1033982632.db2.gz FQGBOMVQTSZSDT-RTBURBONSA-N 1 2 337.467 3.775 20 0 EHADLO C[N@H+](CCc1cscn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000450250398 1033991512 /nfs/dbraw/zinc/99/15/12/1033991512.db2.gz JSIQQSHCLGFHCG-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1cscn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000450250398 1033991522 /nfs/dbraw/zinc/99/15/22/1033991522.db2.gz JSIQQSHCLGFHCG-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO Cc1cc(C(=O)CCC(=O)Nc2ccc3[nH+]ccn3c2)c(C)s1 ZINC000603883348 1034007250 /nfs/dbraw/zinc/00/72/50/1034007250.db2.gz DISRFFNEENWJQJ-UHFFFAOYSA-N 1 2 327.409 3.614 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](c2ccc(C)cc2)C2CCCCC2)n1 ZINC000658156969 1034011110 /nfs/dbraw/zinc/01/11/10/1034011110.db2.gz OFEZBSZOUIJWSM-LJQANCHMSA-N 1 2 328.460 3.671 20 0 EHADLO COCc1nnc(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000658156257 1034011787 /nfs/dbraw/zinc/01/17/87/1034011787.db2.gz HSTPUCHMYJVNTN-CVEARBPZSA-N 1 2 348.878 3.811 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586485 1034028060 /nfs/dbraw/zinc/02/80/60/1034028060.db2.gz IUUMCWXCDRDGBA-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586485 1034028072 /nfs/dbraw/zinc/02/80/72/1034028072.db2.gz IUUMCWXCDRDGBA-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000120699956 1034032215 /nfs/dbraw/zinc/03/22/15/1034032215.db2.gz BJLYHUHOGLOKFG-MRXNPFEDSA-N 1 2 339.483 3.813 20 0 EHADLO CCSC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000596012252 1034057558 /nfs/dbraw/zinc/05/75/58/1034057558.db2.gz SGJGRVONVNHQFI-UHFFFAOYSA-N 1 2 325.441 3.513 20 0 EHADLO CCCCOc1cccc(CNc2cc(CC(=O)OC)cc[nH+]2)c1 ZINC000596080601 1034072041 /nfs/dbraw/zinc/07/20/41/1034072041.db2.gz JKXOEIJUVFACRV-UHFFFAOYSA-N 1 2 328.412 3.588 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2sccc2Br)c1F ZINC000658226966 1034084420 /nfs/dbraw/zinc/08/44/20/1034084420.db2.gz FTFCSUUSFCKPLO-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO O=C(Oc1cc(Br)ccc1Cl)C12CCC[NH+]1CCC2 ZINC001127202656 1034112572 /nfs/dbraw/zinc/11/25/72/1034112572.db2.gz REPKCZYSYYRBFW-UHFFFAOYSA-N 1 2 344.636 3.636 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)CCCC(C)C ZINC000119139028 1034099957 /nfs/dbraw/zinc/09/99/57/1034099957.db2.gz SVIDMXKXHPMPML-HNNXBMFYSA-N 1 2 348.491 3.563 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2ncc(Br)cc2F)c1 ZINC000529518195 1034102073 /nfs/dbraw/zinc/10/20/73/1034102073.db2.gz SRDVCLIGBUACGD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2ncc(Br)cc2F)c1 ZINC000529518195 1034102087 /nfs/dbraw/zinc/10/20/87/1034102087.db2.gz SRDVCLIGBUACGD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)c(Cl)c3)CCN12 ZINC000529527833 1034109347 /nfs/dbraw/zinc/10/93/47/1034109347.db2.gz FZPFJWYOZOHSGV-QGZVFWFLSA-N 1 2 340.854 3.814 20 0 EHADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)c(Cl)c3)CCN12 ZINC000529527833 1034109356 /nfs/dbraw/zinc/10/93/56/1034109356.db2.gz FZPFJWYOZOHSGV-QGZVFWFLSA-N 1 2 340.854 3.814 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596158842 1034112303 /nfs/dbraw/zinc/11/23/03/1034112303.db2.gz BLPFWNMAAGMXEW-CQSZACIVSA-N 1 2 341.455 3.765 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000612115661 1034112780 /nfs/dbraw/zinc/11/27/80/1034112780.db2.gz MHUZGFPOKSHPKS-DSBDAKNPSA-N 1 2 349.478 3.930 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626159788 1034128695 /nfs/dbraw/zinc/12/86/95/1034128695.db2.gz UPBLBGIXYXIWIG-CYBMUJFWSA-N 1 2 348.796 3.849 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626159788 1034128706 /nfs/dbraw/zinc/12/87/06/1034128706.db2.gz UPBLBGIXYXIWIG-CYBMUJFWSA-N 1 2 348.796 3.849 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000537616066 1034158864 /nfs/dbraw/zinc/15/88/64/1034158864.db2.gz IRSYMOPMKCOSFC-UGSOOPFHSA-N 1 2 329.371 3.516 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000537616066 1034158872 /nfs/dbraw/zinc/15/88/72/1034158872.db2.gz IRSYMOPMKCOSFC-UGSOOPFHSA-N 1 2 329.371 3.516 20 0 EHADLO COC(=O)[C@H]1CC12CCN(c1cc[nH+]c3cc(F)c(Cl)cc31)CC2 ZINC000450335489 1034163265 /nfs/dbraw/zinc/16/32/65/1034163265.db2.gz YLVUTXHSXXFOKE-GFCCVEGCSA-N 1 2 348.805 3.807 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC000119553229 1034193887 /nfs/dbraw/zinc/19/38/87/1034193887.db2.gz BTEUNVIZZFFYCH-SFHVURJKSA-N 1 2 346.519 3.745 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1cn(C(C)(C)C)nn1 ZINC000596356065 1034197153 /nfs/dbraw/zinc/19/71/53/1034197153.db2.gz DIAABALDOSUXDO-UHFFFAOYSA-N 1 2 341.484 3.961 20 0 EHADLO Cc1ccnc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c1 ZINC000120893142 1034204243 /nfs/dbraw/zinc/20/42/43/1034204243.db2.gz XXVZNENNDTUMMF-UHFFFAOYSA-N 1 2 342.512 3.826 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000529565766 1034219672 /nfs/dbraw/zinc/21/96/72/1034219672.db2.gz VZKYJDJRSHNULZ-SFHVURJKSA-N 1 2 325.456 3.878 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1C ZINC000658353620 1034235544 /nfs/dbraw/zinc/23/55/44/1034235544.db2.gz OCYAPRXFCNDEEQ-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO Cc1nc(N2CCC(CCC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000596450275 1034262332 /nfs/dbraw/zinc/26/23/32/1034262332.db2.gz UHEKKVFPKGPSQG-UHFFFAOYSA-N 1 2 333.476 3.740 20 0 EHADLO CC(=O)c1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000450411234 1034265313 /nfs/dbraw/zinc/26/53/13/1034265313.db2.gz NBBUWABRRWYWAP-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO CC(=O)c1cccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000450411234 1034265325 /nfs/dbraw/zinc/26/53/25/1034265325.db2.gz NBBUWABRRWYWAP-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865562 1034290530 /nfs/dbraw/zinc/29/05/30/1034290530.db2.gz RYKVACPDXWCAQX-ZDUSSCGKSA-N 1 2 349.887 3.881 20 0 EHADLO CC(=O)NC1CCC(N(C)c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450440142 1034333592 /nfs/dbraw/zinc/33/35/92/1034333592.db2.gz NJPNVWBGOLRYFW-UHFFFAOYSA-N 1 2 349.837 3.911 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604359120 1034346100 /nfs/dbraw/zinc/34/61/00/1034346100.db2.gz OKFFKPZTWWNFNS-OAHLLOKOSA-N 1 2 344.484 3.635 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604359120 1034346113 /nfs/dbraw/zinc/34/61/13/1034346113.db2.gz OKFFKPZTWWNFNS-OAHLLOKOSA-N 1 2 344.484 3.635 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299981 1034356874 /nfs/dbraw/zinc/35/68/74/1034356874.db2.gz QHLLIMUQOSFWBU-CABCVRRESA-N 1 2 345.240 3.625 20 0 EHADLO CCc1cnc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)s1 ZINC000529669741 1034397001 /nfs/dbraw/zinc/39/70/01/1034397001.db2.gz OSWNILANDRFBLR-UHFFFAOYSA-N 1 2 326.469 3.509 20 0 EHADLO OC[C@@H](CC(F)F)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450489164 1034419723 /nfs/dbraw/zinc/41/97/23/1034419723.db2.gz PUSHAZHDYZSBBQ-SSDOTTSWSA-N 1 2 349.150 3.564 20 0 EHADLO C[C@H]1COCC[C@@H]1Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450491347 1034423255 /nfs/dbraw/zinc/42/32/55/1034423255.db2.gz WSAZSTYPOHPBAT-ZANVPECISA-N 1 2 339.208 3.973 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450495377 1034432191 /nfs/dbraw/zinc/43/21/91/1034432191.db2.gz VBJNQBUGVYHQTI-YQVWRLOYSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450495377 1034432194 /nfs/dbraw/zinc/43/21/94/1034432194.db2.gz VBJNQBUGVYHQTI-YQVWRLOYSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc21 ZINC000153070362 1034449852 /nfs/dbraw/zinc/44/98/52/1034449852.db2.gz IQLHUSDRPXNSQR-MDZRGWNJSA-N 1 2 338.455 3.696 20 0 EHADLO OC[C@@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCC1(F)F ZINC000450540827 1034515172 /nfs/dbraw/zinc/51/51/72/1034515172.db2.gz QKEDTXCWLDODNU-LBPRGKRZSA-N 1 2 346.299 3.708 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597089660 1034539862 /nfs/dbraw/zinc/53/98/62/1034539862.db2.gz ZZFBLQPFBGIEJZ-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597089660 1034539873 /nfs/dbraw/zinc/53/98/73/1034539873.db2.gz ZZFBLQPFBGIEJZ-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)C[C@H]3OCCc4ccccc43)n2)cc1 ZINC000548905403 1034542047 /nfs/dbraw/zinc/54/20/47/1034542047.db2.gz CBTZHFOKQPVTKB-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)C[C@H]3OCCc4ccccc43)n2)cc1 ZINC000548905403 1034542054 /nfs/dbraw/zinc/54/20/54/1034542054.db2.gz CBTZHFOKQPVTKB-LJQANCHMSA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccnc([C@H](C)[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000375801455 1034554833 /nfs/dbraw/zinc/55/48/33/1034554833.db2.gz KJPJXYVAVGUTAL-WMLDXEAASA-N 1 2 337.427 3.883 20 0 EHADLO CCCC[C@@H](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000604972879 1034565496 /nfs/dbraw/zinc/56/54/96/1034565496.db2.gz IXXSUCMBHCDXPY-GOSISDBHSA-N 1 2 346.515 3.742 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121261648 1034607712 /nfs/dbraw/zinc/60/77/12/1034607712.db2.gz BMITXNUIYIAHHU-HNAYVOBHSA-N 1 2 340.423 3.552 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000534519578 1034624150 /nfs/dbraw/zinc/62/41/50/1034624150.db2.gz UEWYUKXJRAKKQP-UHFFFAOYSA-N 1 2 330.388 3.615 20 0 EHADLO CC[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCCC1 ZINC000456671437 1034647072 /nfs/dbraw/zinc/64/70/72/1034647072.db2.gz XQIDOUHTOQLCIV-HNNXBMFYSA-N 1 2 335.398 3.708 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)n1 ZINC000605155235 1034653714 /nfs/dbraw/zinc/65/37/14/1034653714.db2.gz LVERNSGNIMWWDT-MRXNPFEDSA-N 1 2 331.485 3.948 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)n1 ZINC000605155235 1034653730 /nfs/dbraw/zinc/65/37/30/1034653730.db2.gz LVERNSGNIMWWDT-MRXNPFEDSA-N 1 2 331.485 3.948 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000450665382 1034664261 /nfs/dbraw/zinc/66/42/61/1034664261.db2.gz FYFIIJOUJHLBJG-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO COc1ccnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000450668964 1034668963 /nfs/dbraw/zinc/66/89/63/1034668963.db2.gz QQFYRRMPCNKWRP-INIZCTEOSA-N 1 2 339.361 3.991 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(OC(F)F)c1 ZINC000450671983 1034673436 /nfs/dbraw/zinc/67/34/36/1034673436.db2.gz XNIMAKBHXDMBLJ-VIFPVBQESA-N 1 2 325.384 3.868 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000450720082 1034706344 /nfs/dbraw/zinc/70/63/44/1034706344.db2.gz SFUWZRONOPUJGF-LBPRGKRZSA-N 1 2 326.366 3.503 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000450720082 1034706359 /nfs/dbraw/zinc/70/63/59/1034706359.db2.gz SFUWZRONOPUJGF-LBPRGKRZSA-N 1 2 326.366 3.503 20 0 EHADLO C/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000171956636 1034722851 /nfs/dbraw/zinc/72/28/51/1034722851.db2.gz NKJLJIYXAUJVCM-MHWRWJLKSA-N 1 2 349.409 3.790 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2ccn(CCc3ccccc3)n2)cc1 ZINC000450712529 1034725400 /nfs/dbraw/zinc/72/54/00/1034725400.db2.gz RAGZAUWJEZMHTC-JOCHJYFZSA-N 1 2 349.478 3.511 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000443172180 1034758820 /nfs/dbraw/zinc/75/88/20/1034758820.db2.gz WWFYMEWVYTXVKF-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000443172180 1034758833 /nfs/dbraw/zinc/75/88/33/1034758833.db2.gz WWFYMEWVYTXVKF-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000728611469 1034759045 /nfs/dbraw/zinc/75/90/45/1034759045.db2.gz HZBVHSFGYARIIO-CRAIPNDOSA-N 1 2 343.471 3.616 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cccc(C4CCOCC4)c3)ccn12 ZINC000529935624 1034763333 /nfs/dbraw/zinc/76/33/33/1034763333.db2.gz VYXHNAPNPHQIRR-UHFFFAOYSA-N 1 2 335.407 3.789 20 0 EHADLO Clc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3C3OCCO3)o2)cc1 ZINC000076759279 1034769354 /nfs/dbraw/zinc/76/93/54/1034769354.db2.gz JZYQLIKFCWFYDA-HNNXBMFYSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3C3OCCO3)o2)cc1 ZINC000076759279 1034769370 /nfs/dbraw/zinc/76/93/70/1034769370.db2.gz JZYQLIKFCWFYDA-HNNXBMFYSA-N 1 2 348.830 3.722 20 0 EHADLO CN(C(=O)C[N@H+]1CC=C(C(C)(C)C)CC1)c1nc2ccccc2s1 ZINC000534654107 1034772370 /nfs/dbraw/zinc/77/23/70/1034772370.db2.gz PNGOZTRLCDHHTD-UHFFFAOYSA-N 1 2 343.496 3.937 20 0 EHADLO CN(C(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1)c1nc2ccccc2s1 ZINC000534654107 1034772385 /nfs/dbraw/zinc/77/23/85/1034772385.db2.gz PNGOZTRLCDHHTD-UHFFFAOYSA-N 1 2 343.496 3.937 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450760922 1034782796 /nfs/dbraw/zinc/78/27/96/1034782796.db2.gz OANODKWIQDTEEP-AWEZNQCLSA-N 1 2 343.349 3.522 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450760922 1034782810 /nfs/dbraw/zinc/78/28/10/1034782810.db2.gz OANODKWIQDTEEP-AWEZNQCLSA-N 1 2 343.349 3.522 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000605611686 1034803497 /nfs/dbraw/zinc/80/34/97/1034803497.db2.gz DOSHGLYLPTZINY-HNNXBMFYSA-N 1 2 337.533 3.790 20 0 EHADLO Fc1ccc(C[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000605698684 1034819178 /nfs/dbraw/zinc/81/91/78/1034819178.db2.gz KZRXJISFPOLVHD-KRWDZBQOSA-N 1 2 340.446 3.675 20 0 EHADLO Fc1ccc(C[C@@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000605698684 1034819182 /nfs/dbraw/zinc/81/91/82/1034819182.db2.gz KZRXJISFPOLVHD-KRWDZBQOSA-N 1 2 340.446 3.675 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000450814724 1034824151 /nfs/dbraw/zinc/82/41/51/1034824151.db2.gz ZLYXZJVEPYQGNL-LJQANCHMSA-N 1 2 335.455 3.846 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000450814724 1034824164 /nfs/dbraw/zinc/82/41/64/1034824164.db2.gz ZLYXZJVEPYQGNL-LJQANCHMSA-N 1 2 335.455 3.846 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000601930373 1034829390 /nfs/dbraw/zinc/82/93/90/1034829390.db2.gz HUGNZVPSLXCXHR-CHWSQXEVSA-N 1 2 328.412 3.752 20 0 EHADLO Clc1cccc(C2CN(c3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000450817480 1034844555 /nfs/dbraw/zinc/84/45/55/1034844555.db2.gz FNNVQUSTQVCGGY-UHFFFAOYSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1cccc(C2CN(c3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000450817480 1034844566 /nfs/dbraw/zinc/84/45/66/1034844566.db2.gz FNNVQUSTQVCGGY-UHFFFAOYSA-N 1 2 328.847 3.724 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000530009267 1034856916 /nfs/dbraw/zinc/85/69/16/1034856916.db2.gz JZZZTOIEOSAOPR-HIFRSBDPSA-N 1 2 333.382 3.578 20 0 EHADLO CC(=O)c1cc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)on1 ZINC000584477667 1034888763 /nfs/dbraw/zinc/88/87/63/1034888763.db2.gz PLRFGZNHINJRBL-UHFFFAOYSA-N 1 2 339.370 3.787 20 0 EHADLO CC(=O)c1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)on1 ZINC000584477667 1034888771 /nfs/dbraw/zinc/88/87/71/1034888771.db2.gz PLRFGZNHINJRBL-UHFFFAOYSA-N 1 2 339.370 3.787 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649555 1034912264 /nfs/dbraw/zinc/91/22/64/1034912264.db2.gz BNBMTFOILHQQNF-NWDGAFQWSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649555 1034912274 /nfs/dbraw/zinc/91/22/74/1034912274.db2.gz BNBMTFOILHQQNF-NWDGAFQWSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cc(C)c(CNc2ccc(C(=O)N3CCC(C)CC3)cn2)c[nH+]1 ZINC000450904469 1034928197 /nfs/dbraw/zinc/92/81/97/1034928197.db2.gz FOPDTZFTJMASGD-UHFFFAOYSA-N 1 2 338.455 3.578 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000612442441 1034939033 /nfs/dbraw/zinc/93/90/33/1034939033.db2.gz WUOCRVDQRFXUIQ-RBUKOAKNSA-N 1 2 333.435 3.610 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000375930828 1034945298 /nfs/dbraw/zinc/94/52/98/1034945298.db2.gz GVQOEGGPWYKHFW-QGZVFWFLSA-N 1 2 334.423 3.985 20 0 EHADLO O=c1ccc(-c2c(F)cccc2F)nn1C[N@H+](C1CC1)C1CCCC1 ZINC000530095180 1034957293 /nfs/dbraw/zinc/95/72/93/1034957293.db2.gz JGCRTEOTXIIMBX-UHFFFAOYSA-N 1 2 345.393 3.553 20 0 EHADLO O=c1ccc(-c2c(F)cccc2F)nn1C[N@@H+](C1CC1)C1CCCC1 ZINC000530095180 1034957304 /nfs/dbraw/zinc/95/73/04/1034957304.db2.gz JGCRTEOTXIIMBX-UHFFFAOYSA-N 1 2 345.393 3.553 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612459896 1034957535 /nfs/dbraw/zinc/95/75/35/1034957535.db2.gz YDAMVCPHYPKDKX-CHWSQXEVSA-N 1 2 332.835 3.638 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451000399 1035021923 /nfs/dbraw/zinc/02/19/23/1035021923.db2.gz PIAOUQNFJYLRCW-ZFWWWQNUSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451000399 1035021930 /nfs/dbraw/zinc/02/19/30/1035021930.db2.gz PIAOUQNFJYLRCW-ZFWWWQNUSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](NC(=S)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000066006632 1035097100 /nfs/dbraw/zinc/09/71/00/1035097100.db2.gz JWQCTBIEYHAJPS-ZBFHGGJFSA-N 1 2 330.501 3.523 20 0 EHADLO CC[C@@](C)(NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1nccs1 ZINC000376056078 1035193135 /nfs/dbraw/zinc/19/31/35/1035193135.db2.gz MQYXVDIKOBFTIS-KPZWWZAWSA-N 1 2 346.500 3.536 20 0 EHADLO CC[C@@](C)(NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1nccs1 ZINC000376056078 1035193139 /nfs/dbraw/zinc/19/31/39/1035193139.db2.gz MQYXVDIKOBFTIS-KPZWWZAWSA-N 1 2 346.500 3.536 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)sc2c1CCCC2 ZINC000066076683 1035201827 /nfs/dbraw/zinc/20/18/27/1035201827.db2.gz STRNHTQSXIZHSX-UHFFFAOYSA-N 1 2 336.888 3.922 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)sc2c1CCCC2 ZINC000066076683 1035201832 /nfs/dbraw/zinc/20/18/32/1035201832.db2.gz STRNHTQSXIZHSX-UHFFFAOYSA-N 1 2 336.888 3.922 20 0 EHADLO CSc1cc(C)ccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000413913547 1035219933 /nfs/dbraw/zinc/21/99/33/1035219933.db2.gz XHSILBAMUYETIU-HUUCEWRRSA-N 1 2 341.480 3.823 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000066155394 1035267185 /nfs/dbraw/zinc/26/71/85/1035267185.db2.gz DTAYVLFFVGWNFF-UHFFFAOYSA-N 1 2 329.778 3.615 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000066155394 1035267190 /nfs/dbraw/zinc/26/71/90/1035267190.db2.gz DTAYVLFFVGWNFF-UHFFFAOYSA-N 1 2 329.778 3.615 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413994244 1035338681 /nfs/dbraw/zinc/33/86/81/1035338681.db2.gz RRVZOWKETPDWFF-SJORKVTESA-N 1 2 335.451 3.626 20 0 EHADLO COc1ccc(C)cc1Cc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923781676 1035364130 /nfs/dbraw/zinc/36/41/30/1035364130.db2.gz XMBWGRKMPJWOAH-INIZCTEOSA-N 1 2 340.427 3.809 20 0 EHADLO Cc1oc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)nc1C1CC1 ZINC000892518232 1035375882 /nfs/dbraw/zinc/37/58/82/1035375882.db2.gz MOTWLGFPTOEIFB-OAHLLOKOSA-N 1 2 333.819 3.755 20 0 EHADLO Cc1oc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)nc1C1CC1 ZINC000892518231 1035376046 /nfs/dbraw/zinc/37/60/46/1035376046.db2.gz MOTWLGFPTOEIFB-HNNXBMFYSA-N 1 2 333.819 3.755 20 0 EHADLO COc1ccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1C ZINC000923881184 1035385238 /nfs/dbraw/zinc/38/52/38/1035385238.db2.gz VTHQQVXYHWHKFM-OAHLLOKOSA-N 1 2 326.400 3.886 20 0 EHADLO O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001125807262 1035423081 /nfs/dbraw/zinc/42/30/81/1035423081.db2.gz ZPYACQLQKRTOAM-QZTJIDSGSA-N 1 2 333.435 3.866 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)s1 ZINC000414076847 1035449114 /nfs/dbraw/zinc/44/91/14/1035449114.db2.gz QOMBVOYXYOKOQY-ZDUSSCGKSA-N 1 2 348.468 3.815 20 0 EHADLO CCOCc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431788339 1035488847 /nfs/dbraw/zinc/48/88/47/1035488847.db2.gz KTKXNKUZEVRUTM-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571462366 1035501504 /nfs/dbraw/zinc/50/15/04/1035501504.db2.gz ZVPGSRIAMOAYOA-MPGHIAIKSA-N 1 2 341.455 3.597 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571462366 1035501517 /nfs/dbraw/zinc/50/15/17/1035501517.db2.gz ZVPGSRIAMOAYOA-MPGHIAIKSA-N 1 2 341.455 3.597 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)C3CCCC3)cn2c1 ZINC000172201485 1035503976 /nfs/dbraw/zinc/50/39/76/1035503976.db2.gz LCKHLSSIDRJRDC-AWEZNQCLSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000613306521 1035549419 /nfs/dbraw/zinc/54/94/19/1035549419.db2.gz VAEIZRODPFXHPD-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CC(C)n1ccnc1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173649128 1035550138 /nfs/dbraw/zinc/55/01/38/1035550138.db2.gz QGCIKHWQIYSPOA-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000463499282 1035580270 /nfs/dbraw/zinc/58/02/70/1035580270.db2.gz IFVLPWHOYGXXKU-UHFFFAOYSA-N 1 2 345.878 3.829 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)sc1C ZINC000186163494 1035594921 /nfs/dbraw/zinc/59/49/21/1035594921.db2.gz WLBWBAIDAJSROZ-ZDUSSCGKSA-N 1 2 341.480 3.634 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)sc1C ZINC000186163494 1035594935 /nfs/dbraw/zinc/59/49/35/1035594935.db2.gz WLBWBAIDAJSROZ-ZDUSSCGKSA-N 1 2 341.480 3.634 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000571750003 1035640568 /nfs/dbraw/zinc/64/05/68/1035640568.db2.gz BGEAIZPGXPHNCT-XAUMDUMWSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000571750003 1035640582 /nfs/dbraw/zinc/64/05/82/1035640582.db2.gz BGEAIZPGXPHNCT-XAUMDUMWSA-N 1 2 345.870 3.705 20 0 EHADLO CCN(c1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1)C(C)C ZINC000178081754 1035687780 /nfs/dbraw/zinc/68/77/80/1035687780.db2.gz LYTYOCWYOLPKAL-UHFFFAOYSA-N 1 2 343.475 3.672 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431825195 1035745077 /nfs/dbraw/zinc/74/50/77/1035745077.db2.gz SXNAFXMHRASHPO-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO Cc1cn2cc(NC(=O)c3c(C)cccc3Br)ccc2[nH+]1 ZINC000463715533 1035761377 /nfs/dbraw/zinc/76/13/77/1035761377.db2.gz HCNLCMJQZISYFR-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Brc1ccccc1OCC[N@@H+]1CCc2sccc2C1 ZINC000508840293 1035762412 /nfs/dbraw/zinc/76/24/12/1035762412.db2.gz YLSOECBHWXLJMP-UHFFFAOYSA-N 1 2 338.270 3.948 20 0 EHADLO Brc1ccccc1OCC[N@H+]1CCc2sccc2C1 ZINC000508840293 1035762431 /nfs/dbraw/zinc/76/24/31/1035762431.db2.gz YLSOECBHWXLJMP-UHFFFAOYSA-N 1 2 338.270 3.948 20 0 EHADLO c1[nH+]cn2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc12 ZINC000414145952 1035764277 /nfs/dbraw/zinc/76/42/77/1035764277.db2.gz BMRKDDTZNQQLJV-WKCHPHFGSA-N 1 2 346.478 3.620 20 0 EHADLO c1[nH+]cn2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145952 1035764291 /nfs/dbraw/zinc/76/42/91/1035764291.db2.gz BMRKDDTZNQQLJV-WKCHPHFGSA-N 1 2 346.478 3.620 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccsc1 ZINC000669884661 1035768953 /nfs/dbraw/zinc/76/89/53/1035768953.db2.gz KJJSLJIMHOVFNC-CQSZACIVSA-N 1 2 334.489 3.690 20 0 EHADLO COc1ccc2nc(C[N@H+](C)Cc3ccc(OC)c(O)c3)sc2c1 ZINC000187149213 1035771682 /nfs/dbraw/zinc/77/16/82/1035771682.db2.gz URRXWVHIDFXISN-UHFFFAOYSA-N 1 2 344.436 3.651 20 0 EHADLO COc1ccc2nc(C[N@@H+](C)Cc3ccc(OC)c(O)c3)sc2c1 ZINC000187149213 1035771694 /nfs/dbraw/zinc/77/16/94/1035771694.db2.gz URRXWVHIDFXISN-UHFFFAOYSA-N 1 2 344.436 3.651 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@H](C)c2nc(-c3ccccc3)no2)c(C)[nH+]1 ZINC000187158390 1035777748 /nfs/dbraw/zinc/77/77/48/1035777748.db2.gz VCRSDEXJQRZUAF-JBEBIEQOSA-N 1 2 341.436 3.758 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000463755428 1035795370 /nfs/dbraw/zinc/79/53/70/1035795370.db2.gz SQBVBPROMKAREH-AEFFLSMTSA-N 1 2 348.487 3.651 20 0 EHADLO CCCc1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000173972560 1035819892 /nfs/dbraw/zinc/81/98/92/1035819892.db2.gz BKPAKRKJYLUGPR-AWEZNQCLSA-N 1 2 348.878 3.554 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)no1 ZINC000541022988 1035906974 /nfs/dbraw/zinc/90/69/74/1035906974.db2.gz KDBBABZADXIWEP-QRWLVFNGSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)no1 ZINC000541022988 1035906987 /nfs/dbraw/zinc/90/69/87/1035906987.db2.gz KDBBABZADXIWEP-QRWLVFNGSA-N 1 2 325.456 3.981 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000541032956 1035927277 /nfs/dbraw/zinc/92/72/77/1035927277.db2.gz FYFPTGWJJOELBO-DOTOQJQBSA-N 1 2 332.463 3.857 20 0 EHADLO CCc1nc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)sc1C ZINC000174328197 1035950537 /nfs/dbraw/zinc/95/05/37/1035950537.db2.gz YAAKZGMTYXDWEQ-UHFFFAOYSA-N 1 2 341.440 3.521 20 0 EHADLO C[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572049166 1035960620 /nfs/dbraw/zinc/96/06/20/1035960620.db2.gz LRXOLDXTIBJLLD-BRWVUGGUSA-N 1 2 344.503 3.545 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3OC)C2)cc1 ZINC000541087354 1035972583 /nfs/dbraw/zinc/97/25/83/1035972583.db2.gz PISNTQURUOQZNN-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3OC)C2)cc1 ZINC000541087354 1035972592 /nfs/dbraw/zinc/97/25/92/1035972592.db2.gz PISNTQURUOQZNN-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492559208 1035982237 /nfs/dbraw/zinc/98/22/37/1035982237.db2.gz PEFGCAFGJRQBBT-LJQANCHMSA-N 1 2 333.378 3.807 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492559208 1035982252 /nfs/dbraw/zinc/98/22/52/1035982252.db2.gz PEFGCAFGJRQBBT-LJQANCHMSA-N 1 2 333.378 3.807 20 0 EHADLO CC[C@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492566871 1036015122 /nfs/dbraw/zinc/01/51/22/1036015122.db2.gz SPIPRKZOJGWAIW-BMWLXYDHSA-N 1 2 337.345 3.733 20 0 EHADLO CC[C@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492566877 1036016425 /nfs/dbraw/zinc/01/64/25/1036016425.db2.gz SPIPRKZOJGWAIW-LHRNQBEKSA-N 1 2 337.345 3.733 20 0 EHADLO O=C(NCC1CCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000332747324 1036050439 /nfs/dbraw/zinc/05/04/39/1036050439.db2.gz NOHWLFCWYHTYTR-OALUTQOASA-N 1 2 338.455 3.601 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1C ZINC000541178432 1036063633 /nfs/dbraw/zinc/06/36/33/1036063633.db2.gz FFHAKZQKPZQISM-ZHALLVOQSA-N 1 2 346.519 3.910 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000541204206 1036076067 /nfs/dbraw/zinc/07/60/67/1036076067.db2.gz GBTFYPNWHQJUCP-DOMZBBRYSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000541204206 1036076090 /nfs/dbraw/zinc/07/60/90/1036076090.db2.gz GBTFYPNWHQJUCP-DOMZBBRYSA-N 1 2 327.346 3.651 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000588812329 1036101319 /nfs/dbraw/zinc/10/13/19/1036101319.db2.gz FPEJGXSGOJTXSA-LBPRGKRZSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000588812329 1036101326 /nfs/dbraw/zinc/10/13/26/1036101326.db2.gz FPEJGXSGOJTXSA-LBPRGKRZSA-N 1 2 325.334 3.819 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001168170378 1036109018 /nfs/dbraw/zinc/10/90/18/1036109018.db2.gz LTHAGOPGEZOUCU-HONMWMINSA-N 1 2 339.760 3.608 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001168170378 1036109027 /nfs/dbraw/zinc/10/90/27/1036109027.db2.gz LTHAGOPGEZOUCU-HONMWMINSA-N 1 2 339.760 3.608 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000457469624 1036135349 /nfs/dbraw/zinc/13/53/49/1036135349.db2.gz VXMVSQKWFPYJJH-OAGGEKHMSA-N 1 2 330.472 3.671 20 0 EHADLO COCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccccc1 ZINC000588850815 1036143449 /nfs/dbraw/zinc/14/34/49/1036143449.db2.gz HOFHOQUKEIKDCA-OAHLLOKOSA-N 1 2 337.423 3.545 20 0 EHADLO COCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccccc1 ZINC000588850815 1036143456 /nfs/dbraw/zinc/14/34/56/1036143456.db2.gz HOFHOQUKEIKDCA-OAHLLOKOSA-N 1 2 337.423 3.545 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)s1 ZINC000892567123 1036157103 /nfs/dbraw/zinc/15/71/03/1036157103.db2.gz ARYJYZCTKAJGGY-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474848 1036176547 /nfs/dbraw/zinc/17/65/47/1036176547.db2.gz DJQAPSNCXBHUML-CYBMUJFWSA-N 1 2 339.505 3.519 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474848 1036176554 /nfs/dbraw/zinc/17/65/54/1036176554.db2.gz DJQAPSNCXBHUML-CYBMUJFWSA-N 1 2 339.505 3.519 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000170763382 1036208080 /nfs/dbraw/zinc/20/80/80/1036208080.db2.gz FVQRWRVOANQGIP-MGPUTAFESA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000170763382 1036208101 /nfs/dbraw/zinc/20/81/01/1036208101.db2.gz FVQRWRVOANQGIP-MGPUTAFESA-N 1 2 327.424 3.666 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414234241 1036216634 /nfs/dbraw/zinc/21/66/34/1036216634.db2.gz GBYUADJZUYYYII-CYBMUJFWSA-N 1 2 337.345 3.807 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](CC)CC(F)F)CC2)s1 ZINC000457591173 1036290288 /nfs/dbraw/zinc/29/02/88/1036290288.db2.gz ZDFYUJVPCKSLTC-CYBMUJFWSA-N 1 2 344.471 3.636 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1C(C)C ZINC000457596272 1036309633 /nfs/dbraw/zinc/30/96/33/1036309633.db2.gz JOVVUXOIALPOJS-PKOBYXMFSA-N 1 2 344.503 3.504 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000414260886 1036318994 /nfs/dbraw/zinc/31/89/94/1036318994.db2.gz QUWVQBHTIDNNBF-LLVKDONJSA-N 1 2 325.359 3.822 20 0 EHADLO Cc1[nH+]ccn1CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000457615052 1036328654 /nfs/dbraw/zinc/32/86/54/1036328654.db2.gz OAAAAYRJUIDOEF-UHFFFAOYSA-N 1 2 337.427 3.754 20 0 EHADLO COCCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cn1 ZINC000191227404 1036349223 /nfs/dbraw/zinc/34/92/23/1036349223.db2.gz KHIYQZLUXRFVSI-AWEZNQCLSA-N 1 2 349.425 3.635 20 0 EHADLO COCCN(C)c1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cn1 ZINC000191227404 1036349243 /nfs/dbraw/zinc/34/92/43/1036349243.db2.gz KHIYQZLUXRFVSI-AWEZNQCLSA-N 1 2 349.425 3.635 20 0 EHADLO O=C(/C=C\Sc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492842094 1036356166 /nfs/dbraw/zinc/35/61/66/1036356166.db2.gz RCQUPXSVDUANOG-FLIBITNWSA-N 1 2 336.420 3.571 20 0 EHADLO O=C(CC(Cc1ccccc1)Cc1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000175397957 1036362534 /nfs/dbraw/zinc/36/25/34/1036362534.db2.gz MWNFPSLYUFJBNN-UHFFFAOYSA-N 1 2 347.462 3.560 20 0 EHADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1(C)C ZINC000457659723 1036366203 /nfs/dbraw/zinc/36/62/03/1036366203.db2.gz QJRVXQXVJAJHQW-FTRWYGJKSA-N 1 2 331.504 3.664 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657256 1036367418 /nfs/dbraw/zinc/36/74/18/1036367418.db2.gz CXFKHIKBGFLDAZ-GOPGUHFVSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657256 1036367429 /nfs/dbraw/zinc/36/74/29/1036367429.db2.gz CXFKHIKBGFLDAZ-GOPGUHFVSA-N 1 2 338.854 3.777 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)C ZINC000191337302 1036369579 /nfs/dbraw/zinc/36/95/79/1036369579.db2.gz YVDLLRUVOAPFEK-CJNGLKHVSA-N 1 2 330.480 3.673 20 0 EHADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000043865547 1036372445 /nfs/dbraw/zinc/37/24/45/1036372445.db2.gz NSGWOJHXBGVNDZ-AWEZNQCLSA-N 1 2 338.411 3.690 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cnn1C(C)C ZINC000191380605 1036373186 /nfs/dbraw/zinc/37/31/86/1036373186.db2.gz DEKYMOCWBMDPAG-GJZGRUSLSA-N 1 2 338.459 3.765 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cnn1C(C)C ZINC000191380634 1036373554 /nfs/dbraw/zinc/37/35/54/1036373554.db2.gz DEKYMOCWBMDPAG-LSDHHAIUSA-N 1 2 338.459 3.765 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1scnc1C1CCCC1 ZINC000760243733 1036438993 /nfs/dbraw/zinc/43/89/93/1036438993.db2.gz LWDNQTRIEJWQMQ-UHFFFAOYSA-N 1 2 327.409 3.805 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC000572725474 1036472162 /nfs/dbraw/zinc/47/21/62/1036472162.db2.gz PLIIPRVECUKLBG-OAHLLOKOSA-N 1 2 327.428 3.572 20 0 EHADLO Fc1cccc(C[C@@H]([NH2+]Cc2ncccn2)c2cccc(F)c2)c1 ZINC000192154946 1036480841 /nfs/dbraw/zinc/48/08/41/1036480841.db2.gz PRCRMRDSTGFYCH-GOSISDBHSA-N 1 2 325.362 3.828 20 0 EHADLO Cc1cc(OCC(=O)N2CCc3ccccc3C2)c2ccccc2[nH+]1 ZINC000192192343 1036487637 /nfs/dbraw/zinc/48/76/37/1036487637.db2.gz IOQAUEFGPUADLZ-UHFFFAOYSA-N 1 2 332.403 3.507 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC000192246246 1036510726 /nfs/dbraw/zinc/51/07/26/1036510726.db2.gz IBVRZBFGSBTIBE-KRWDZBQOSA-N 1 2 327.472 3.563 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000192508019 1036523318 /nfs/dbraw/zinc/52/33/18/1036523318.db2.gz XDNYHFPGVOLRNK-GZBFAFLISA-N 1 2 331.485 3.736 20 0 EHADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000192508019 1036523330 /nfs/dbraw/zinc/52/33/30/1036523330.db2.gz XDNYHFPGVOLRNK-GZBFAFLISA-N 1 2 331.485 3.736 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926582 1036533596 /nfs/dbraw/zinc/53/35/96/1036533596.db2.gz OIZLPPMHNJPMDA-GUYCJALGSA-N 1 2 344.480 3.697 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926582 1036533607 /nfs/dbraw/zinc/53/36/07/1036533607.db2.gz OIZLPPMHNJPMDA-GUYCJALGSA-N 1 2 344.480 3.697 20 0 EHADLO CCn1c2ccccc2n(C[N@H+](C)CCc2nccs2)c1=S ZINC000157136887 1036540264 /nfs/dbraw/zinc/54/02/64/1036540264.db2.gz IGWWVFQKSMLKFD-UHFFFAOYSA-N 1 2 332.498 3.781 20 0 EHADLO CCn1c2ccccc2n(C[N@@H+](C)CCc2nccs2)c1=S ZINC000157136887 1036540275 /nfs/dbraw/zinc/54/02/75/1036540275.db2.gz IGWWVFQKSMLKFD-UHFFFAOYSA-N 1 2 332.498 3.781 20 0 EHADLO Cc1nc(CCCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cs1 ZINC000175972102 1036541621 /nfs/dbraw/zinc/54/16/21/1036541621.db2.gz RHRGIBXPGUVRMW-UHFFFAOYSA-N 1 2 326.425 3.803 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1csnn1 ZINC000414304639 1036570534 /nfs/dbraw/zinc/57/05/34/1036570534.db2.gz PBKBXTZQWLLGDF-CPCISQLKSA-N 1 2 342.237 3.778 20 0 EHADLO CCN(CC(C)(C)C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000464632403 1036595187 /nfs/dbraw/zinc/59/51/87/1036595187.db2.gz PLKJKEUDXRRXJG-UHFFFAOYSA-N 1 2 333.501 3.771 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1OC ZINC000541779437 1036631650 /nfs/dbraw/zinc/63/16/50/1036631650.db2.gz XKADWBOVDCDOKH-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1OC ZINC000541779437 1036631658 /nfs/dbraw/zinc/63/16/58/1036631658.db2.gz XKADWBOVDCDOKH-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(CC(C)C)CC2)c1C ZINC000176540725 1036642662 /nfs/dbraw/zinc/64/26/62/1036642662.db2.gz IAHVGGHRQOJCMU-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000255904935 1036644440 /nfs/dbraw/zinc/64/44/40/1036644440.db2.gz AQXSUFXHIFWZDM-RAXLEYEMSA-N 1 2 325.799 3.707 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000589956719 1036678704 /nfs/dbraw/zinc/67/87/04/1036678704.db2.gz HIUVOCQEIBIUIM-GFCCVEGCSA-N 1 2 329.400 3.783 20 0 EHADLO Cc1ccc(-c2nnc(C[NH+]3CCC(Nc4ccccn4)CC3)o2)cc1 ZINC000535577445 1036690308 /nfs/dbraw/zinc/69/03/08/1036690308.db2.gz XLDABYRQBMDLAQ-UHFFFAOYSA-N 1 2 349.438 3.517 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)o1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005587 1036696287 /nfs/dbraw/zinc/69/62/87/1036696287.db2.gz FJRLQWXNRFEVIB-UHFFFAOYSA-N 1 2 348.402 3.564 20 0 EHADLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104296 1036705751 /nfs/dbraw/zinc/70/57/51/1036705751.db2.gz TVLJJUVTVCGKPU-UHFFFAOYSA-N 1 2 340.496 3.534 20 0 EHADLO C=CCn1c(C2CC2)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104296 1036705770 /nfs/dbraw/zinc/70/57/70/1036705770.db2.gz TVLJJUVTVCGKPU-UHFFFAOYSA-N 1 2 340.496 3.534 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525304 1036752363 /nfs/dbraw/zinc/75/23/63/1036752363.db2.gz CSEUIYCTGDPZRT-SJLPKXTDSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525304 1036752382 /nfs/dbraw/zinc/75/23/82/1036752382.db2.gz CSEUIYCTGDPZRT-SJLPKXTDSA-N 1 2 333.435 3.540 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772365 1036762375 /nfs/dbraw/zinc/76/23/75/1036762375.db2.gz MNSLMMIWRUARDO-NHYWBVRUSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772365 1036762390 /nfs/dbraw/zinc/76/23/90/1036762390.db2.gz MNSLMMIWRUARDO-NHYWBVRUSA-N 1 2 344.883 3.880 20 0 EHADLO Cc1ccc(NC(=O)N([C@H](C)c2ccco2)C2CC2)c(N(C)C)[nH+]1 ZINC000162202173 1036797968 /nfs/dbraw/zinc/79/79/68/1036797968.db2.gz QEQVSPDHRFGGLJ-CYBMUJFWSA-N 1 2 328.416 3.807 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC(C)(C)C2)c(Br)c1 ZINC000464797838 1036815062 /nfs/dbraw/zinc/81/50/62/1036815062.db2.gz HCKCIBOKOLVDRP-LBPRGKRZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC(C)(C)C2)c(Br)c1 ZINC000464797838 1036815087 /nfs/dbraw/zinc/81/50/87/1036815087.db2.gz HCKCIBOKOLVDRP-LBPRGKRZSA-N 1 2 339.277 3.816 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccsc1 ZINC000669828184 1036826250 /nfs/dbraw/zinc/82/62/50/1036826250.db2.gz FWCJRYWDSWCSDT-SNVBAGLBSA-N 1 2 325.393 3.994 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000669828402 1036826754 /nfs/dbraw/zinc/82/67/54/1036826754.db2.gz LPXSVBBEHJCZLO-OAHLLOKOSA-N 1 2 336.439 3.967 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000669828402 1036826770 /nfs/dbraw/zinc/82/67/70/1036826770.db2.gz LPXSVBBEHJCZLO-OAHLLOKOSA-N 1 2 336.439 3.967 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830382 1036866551 /nfs/dbraw/zinc/86/65/51/1036866551.db2.gz ACXDIXCQTCMSET-RHSMWYFYSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830382 1036866573 /nfs/dbraw/zinc/86/65/73/1036866573.db2.gz ACXDIXCQTCMSET-RHSMWYFYSA-N 1 2 346.496 3.993 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2ccccc2F)CC1)NC1CCCCC1 ZINC000464879423 1036928355 /nfs/dbraw/zinc/92/83/55/1036928355.db2.gz XYEFSPONMNLHHW-UHFFFAOYSA-N 1 2 330.447 3.754 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@@H]1c1ccccc1 ZINC000177776778 1036931998 /nfs/dbraw/zinc/93/19/98/1036931998.db2.gz CPIZGYVUYVYOPZ-LPHOPBHVSA-N 1 2 348.450 3.670 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590134 1036957909 /nfs/dbraw/zinc/95/79/09/1036957909.db2.gz CIRBZWSIYBQAEP-VGOVLVCLSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590134 1036957932 /nfs/dbraw/zinc/95/79/32/1036957932.db2.gz CIRBZWSIYBQAEP-VGOVLVCLSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@](=O)C1 ZINC000590652458 1036992863 /nfs/dbraw/zinc/99/28/63/1036992863.db2.gz AYINPRAQLNFQAL-OYLFLEFRSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@](=O)C1 ZINC000590652458 1036992872 /nfs/dbraw/zinc/99/28/72/1036992872.db2.gz AYINPRAQLNFQAL-OYLFLEFRSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001168189214 1037007358 /nfs/dbraw/zinc/00/73/58/1037007358.db2.gz QVCVDEDXDVENDG-ZDUSSCGKSA-N 1 2 328.834 3.686 20 0 EHADLO CCOC(=O)c1nn(C[N@H+](C2CC2)C2CCCCC2)c(=S)s1 ZINC000782807887 1037019718 /nfs/dbraw/zinc/01/97/18/1037019718.db2.gz ZYSVMSRUSZSGJW-UHFFFAOYSA-N 1 2 341.502 3.605 20 0 EHADLO CCOC(=O)c1nn(C[N@@H+](C2CC2)C2CCCCC2)c(=S)s1 ZINC000782807887 1037019732 /nfs/dbraw/zinc/01/97/32/1037019732.db2.gz ZYSVMSRUSZSGJW-UHFFFAOYSA-N 1 2 341.502 3.605 20 0 EHADLO COCc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C(F)(F)F ZINC000618342842 1037027823 /nfs/dbraw/zinc/02/78/23/1037027823.db2.gz JUDZXYHRGVHQEY-LLVKDONJSA-N 1 2 341.333 3.638 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3ccn4cc[nH+]c4c3)CCCC2)c1 ZINC000178361866 1037031311 /nfs/dbraw/zinc/03/13/11/1037031311.db2.gz CYXPUMVRMRHIHY-UHFFFAOYSA-N 1 2 333.435 3.771 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590730323 1037031729 /nfs/dbraw/zinc/03/17/29/1037031729.db2.gz HFKHTVCLBAVMOD-OAHLLOKOSA-N 1 2 349.887 3.882 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590731250 1037033129 /nfs/dbraw/zinc/03/31/29/1037033129.db2.gz KVZNQYIYDHUVAJ-NRFANRHFSA-N 1 2 345.446 3.956 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000053145194 1037047488 /nfs/dbraw/zinc/04/74/88/1037047488.db2.gz CFJRYWIOYSXCGN-UHFFFAOYSA-N 1 2 331.416 3.756 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000178530465 1037057841 /nfs/dbraw/zinc/05/78/41/1037057841.db2.gz WPBSLJVNFXKWGB-INIZCTEOSA-N 1 2 328.460 3.509 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000053235316 1037069281 /nfs/dbraw/zinc/06/92/81/1037069281.db2.gz MHVMXZKIKPWXER-LLVKDONJSA-N 1 2 333.844 3.602 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000053235316 1037069301 /nfs/dbraw/zinc/06/93/01/1037069301.db2.gz MHVMXZKIKPWXER-LLVKDONJSA-N 1 2 333.844 3.602 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000636436067 1037076095 /nfs/dbraw/zinc/07/60/95/1037076095.db2.gz MPYOWOZDYXFAFE-UHFFFAOYSA-N 1 2 325.334 3.938 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1cccc(C)c1 ZINC000761508991 1037079160 /nfs/dbraw/zinc/07/91/60/1037079160.db2.gz YAXSDKDTWFDIBD-UHFFFAOYSA-N 1 2 330.501 3.863 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@@H](C)c1ccccc1 ZINC000761508150 1037079824 /nfs/dbraw/zinc/07/98/24/1037079824.db2.gz SBSCJRDWTAUNGW-INIZCTEOSA-N 1 2 344.528 3.793 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853348 1037085269 /nfs/dbraw/zinc/08/52/69/1037085269.db2.gz QBFWSXNHPZOBNS-BSDSXHPESA-N 1 2 330.476 3.589 20 0 EHADLO CCC[N@H+](Cc1ccc(C)nn1)Cc1ccccc1Br ZINC000414374736 1037092149 /nfs/dbraw/zinc/09/21/49/1037092149.db2.gz WCDZOPRBZKHRIC-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO CCC[N@@H+](Cc1ccc(C)nn1)Cc1ccccc1Br ZINC000414374736 1037092160 /nfs/dbraw/zinc/09/21/60/1037092160.db2.gz WCDZOPRBZKHRIC-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590863139 1037105211 /nfs/dbraw/zinc/10/52/11/1037105211.db2.gz PEPXMXXJLJVFGM-OAHLLOKOSA-N 1 2 340.452 3.645 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000590871150 1037107793 /nfs/dbraw/zinc/10/77/93/1037107793.db2.gz RFEAEVJFPDWGRK-QZTJIDSGSA-N 1 2 332.492 3.979 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715465 1037112696 /nfs/dbraw/zinc/11/26/96/1037112696.db2.gz BMQPZGGZLLFYGK-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000539715465 1037112704 /nfs/dbraw/zinc/11/27/04/1037112704.db2.gz BMQPZGGZLLFYGK-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000549080779 1037118724 /nfs/dbraw/zinc/11/87/24/1037118724.db2.gz GJCKVAAPISYYFY-JTQLQIEISA-N 1 2 340.595 3.916 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000549080779 1037118735 /nfs/dbraw/zinc/11/87/35/1037118735.db2.gz GJCKVAAPISYYFY-JTQLQIEISA-N 1 2 340.595 3.916 20 0 EHADLO CCCOc1cccc2c(NC[C@H](CO)Cc3ccco3)cc[nH+]c12 ZINC000539771258 1037172878 /nfs/dbraw/zinc/17/28/78/1037172878.db2.gz CNFWCHCMRGHJQF-OAHLLOKOSA-N 1 2 340.423 3.880 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000542254765 1037219583 /nfs/dbraw/zinc/21/95/83/1037219583.db2.gz WIICUKQBFIXEKT-ZDUSSCGKSA-N 1 2 342.386 3.863 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000542276755 1037233402 /nfs/dbraw/zinc/23/34/02/1037233402.db2.gz CNKGIJXLILBAFX-RHSMWYFYSA-N 1 2 337.435 3.709 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000542276755 1037233411 /nfs/dbraw/zinc/23/34/11/1037233411.db2.gz CNKGIJXLILBAFX-RHSMWYFYSA-N 1 2 337.435 3.709 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)cnc12 ZINC000539817260 1037235613 /nfs/dbraw/zinc/23/56/13/1037235613.db2.gz MLRCDNNSXPGSEA-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)cnc12 ZINC000539817260 1037235637 /nfs/dbraw/zinc/23/56/37/1037235637.db2.gz MLRCDNNSXPGSEA-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO COc1cc(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1OC ZINC000087225552 1037235844 /nfs/dbraw/zinc/23/58/44/1037235844.db2.gz VMWWLKYKOQFXDV-UHFFFAOYSA-N 1 2 337.379 3.655 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)s1 ZINC000414388535 1037246080 /nfs/dbraw/zinc/24/60/80/1037246080.db2.gz YZUDILFBZRZLQZ-MRXNPFEDSA-N 1 2 349.521 3.606 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)s1 ZINC000414388535 1037246093 /nfs/dbraw/zinc/24/60/93/1037246093.db2.gz YZUDILFBZRZLQZ-MRXNPFEDSA-N 1 2 349.521 3.606 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CCC34CCOCC4)cs2)cc1 ZINC000376495987 1037253080 /nfs/dbraw/zinc/25/30/80/1037253080.db2.gz SZYOMQLZEZUASW-UHFFFAOYSA-N 1 2 344.480 3.785 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CCC34CCOCC4)cs2)cc1 ZINC000376495987 1037253090 /nfs/dbraw/zinc/25/30/90/1037253090.db2.gz SZYOMQLZEZUASW-UHFFFAOYSA-N 1 2 344.480 3.785 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1O ZINC000539834811 1037261213 /nfs/dbraw/zinc/26/12/13/1037261213.db2.gz MTVPDJPVHYKLHI-HRAATJIYSA-N 1 2 341.451 3.980 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1O ZINC000539834811 1037261220 /nfs/dbraw/zinc/26/12/20/1037261220.db2.gz MTVPDJPVHYKLHI-HRAATJIYSA-N 1 2 341.451 3.980 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1nc(-c2ccccc2)no1 ZINC000052711248 1037267372 /nfs/dbraw/zinc/26/73/72/1037267372.db2.gz KDJSDWDGVXURCT-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nc(-c2ccccc2)no1 ZINC000052711248 1037267387 /nfs/dbraw/zinc/26/73/87/1037267387.db2.gz KDJSDWDGVXURCT-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470957680 1037274899 /nfs/dbraw/zinc/27/48/99/1037274899.db2.gz YDNXXHZAYHRAQA-ZYHUDNBSSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470957680 1037274914 /nfs/dbraw/zinc/27/49/14/1037274914.db2.gz YDNXXHZAYHRAQA-ZYHUDNBSSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc2cccnc12 ZINC000542312850 1037278405 /nfs/dbraw/zinc/27/84/05/1037278405.db2.gz HNSBINZBLLWUKU-UHFFFAOYSA-N 1 2 326.469 3.982 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000532452500 1037317169 /nfs/dbraw/zinc/31/71/69/1037317169.db2.gz BHBCOSIZKRBBIJ-MGPUTAFESA-N 1 2 349.434 3.632 20 0 EHADLO Cc1ccncc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001272319633 1037331552 /nfs/dbraw/zinc/33/15/52/1037331552.db2.gz HDRJHIDEXNXLRE-UHFFFAOYSA-N 1 2 333.391 3.809 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385629 1037348081 /nfs/dbraw/zinc/34/80/81/1037348081.db2.gz NFFOHFLWBOIHLG-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385629 1037348100 /nfs/dbraw/zinc/34/81/00/1037348100.db2.gz NFFOHFLWBOIHLG-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO Cc1cc([C@@H]([NH2+]CC(=O)NC(C)C)c2ccccc2Cl)ccc1F ZINC000491343706 1037362486 /nfs/dbraw/zinc/36/24/86/1037362486.db2.gz QYNQKHFTXQJXSL-LJQANCHMSA-N 1 2 348.849 3.991 20 0 EHADLO CS[C@@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301288062 1037378694 /nfs/dbraw/zinc/37/86/94/1037378694.db2.gz NPZONZYXXBCBNW-DZGCQCFKSA-N 1 2 339.468 3.902 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000462784141 1037386356 /nfs/dbraw/zinc/38/63/56/1037386356.db2.gz BXZFNWUSKRZQEH-UHFFFAOYSA-N 1 2 329.293 3.865 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C(C)C ZINC000591420268 1037393872 /nfs/dbraw/zinc/39/38/72/1037393872.db2.gz VDLSKRZZKLZHQW-NHHWLVAYSA-N 1 2 328.500 3.916 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)c3)n2)C1 ZINC000028683182 1037429259 /nfs/dbraw/zinc/42/92/59/1037429259.db2.gz QMGQGAFZMCLEGY-GFCCVEGCSA-N 1 2 333.432 3.766 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)c3)n2)C1 ZINC000028683182 1037429273 /nfs/dbraw/zinc/42/92/73/1037429273.db2.gz QMGQGAFZMCLEGY-GFCCVEGCSA-N 1 2 333.432 3.766 20 0 EHADLO c1cnn(Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)c1 ZINC000187722531 1037481204 /nfs/dbraw/zinc/48/12/04/1037481204.db2.gz NOEFZXOMFUWFRX-FQEVSTJZSA-N 1 2 343.434 3.534 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000152654197 1037490942 /nfs/dbraw/zinc/49/09/42/1037490942.db2.gz QUBVUZRVZIKNMS-NWDGAFQWSA-N 1 2 329.366 3.763 20 0 EHADLO CC(C)(O)c1cccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000493628699 1037505487 /nfs/dbraw/zinc/50/54/87/1037505487.db2.gz XHOPGTKRANIEJG-FLIBITNWSA-N 1 2 347.418 3.752 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493644377 1037527098 /nfs/dbraw/zinc/52/70/98/1037527098.db2.gz NQNWSDRGSWCVFW-QXPKXGMISA-N 1 2 325.412 3.575 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc[nH]1 ZINC000760863919 1037533956 /nfs/dbraw/zinc/53/39/56/1037533956.db2.gz COLNDIJDZKKXIC-GDIGMMSISA-N 1 2 349.438 3.500 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]1c1ccccc1 ZINC000491518583 1037535079 /nfs/dbraw/zinc/53/50/79/1037535079.db2.gz DXOXCQPHVRYNQV-ZBWUASRJSA-N 1 2 329.403 3.859 20 0 EHADLO Cc1oc2nc(C[N@H+](C)Cc3ccc(Cl)cc3)nc(N)c2c1C ZINC000493677860 1037561287 /nfs/dbraw/zinc/56/12/87/1037561287.db2.gz JZTADZBPEGPCQX-UHFFFAOYSA-N 1 2 330.819 3.707 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)Cc3ccc(Cl)cc3)nc(N)c2c1C ZINC000493677860 1037561304 /nfs/dbraw/zinc/56/13/04/1037561304.db2.gz JZTADZBPEGPCQX-UHFFFAOYSA-N 1 2 330.819 3.707 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000573503919 1037589766 /nfs/dbraw/zinc/58/97/66/1037589766.db2.gz SIYTYRAYCIHLPX-YLJYHZDGSA-N 1 2 339.483 3.992 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000573503919 1037589777 /nfs/dbraw/zinc/58/97/77/1037589777.db2.gz SIYTYRAYCIHLPX-YLJYHZDGSA-N 1 2 339.483 3.992 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)c2ccccc2C1 ZINC000103410503 1037592473 /nfs/dbraw/zinc/59/24/73/1037592473.db2.gz ZYUUOWUOEVRGAR-UHFFFAOYSA-N 1 2 329.469 3.533 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)c2ccccc2C1 ZINC000103410503 1037592479 /nfs/dbraw/zinc/59/24/79/1037592479.db2.gz ZYUUOWUOEVRGAR-UHFFFAOYSA-N 1 2 329.469 3.533 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000505842650 1037593382 /nfs/dbraw/zinc/59/33/82/1037593382.db2.gz NRWZXLGNMQUQJF-JXMROGBWSA-N 1 2 338.499 3.538 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207597 1037652820 /nfs/dbraw/zinc/65/28/20/1037652820.db2.gz UHQKDJOOKKGJFK-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207597 1037652825 /nfs/dbraw/zinc/65/28/25/1037652825.db2.gz UHQKDJOOKKGJFK-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000591809972 1037652943 /nfs/dbraw/zinc/65/29/43/1037652943.db2.gz ARXYXXOBWNQXPX-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000591809972 1037652955 /nfs/dbraw/zinc/65/29/55/1037652955.db2.gz ARXYXXOBWNQXPX-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCSC[C@H]1C ZINC000532583680 1037705065 /nfs/dbraw/zinc/70/50/65/1037705065.db2.gz PQILTMFZJBCFCM-CYBMUJFWSA-N 1 2 344.480 3.657 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCSC[C@H]1C ZINC000532583680 1037705084 /nfs/dbraw/zinc/70/50/84/1037705084.db2.gz PQILTMFZJBCFCM-CYBMUJFWSA-N 1 2 344.480 3.657 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000549394057 1037705731 /nfs/dbraw/zinc/70/57/31/1037705731.db2.gz ZKUWHBQCMIZNIQ-UHFFFAOYSA-N 1 2 339.389 3.835 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540223397 1037728034 /nfs/dbraw/zinc/72/80/34/1037728034.db2.gz ILYXSRCYEYPTJE-WQVCFCJDSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540223397 1037728051 /nfs/dbraw/zinc/72/80/51/1037728051.db2.gz ILYXSRCYEYPTJE-WQVCFCJDSA-N 1 2 338.854 3.777 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000172921309 1037755931 /nfs/dbraw/zinc/75/59/31/1037755931.db2.gz UTWYCKSUZUZQQV-IBGZPJMESA-N 1 2 346.858 3.506 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1scnc1-c1ccccc1 ZINC000651242357 1037763535 /nfs/dbraw/zinc/76/35/35/1037763535.db2.gz ZQAYLLSLJMOULN-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cl)s1)[N@@H+]1CCc2sccc2C1 ZINC000031964102 1037793454 /nfs/dbraw/zinc/79/34/54/1037793454.db2.gz QIWRPCJWRAOXKW-JTQLQIEISA-N 1 2 340.901 3.640 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cl)s1)[N@H+]1CCc2sccc2C1 ZINC000031964102 1037793468 /nfs/dbraw/zinc/79/34/68/1037793468.db2.gz QIWRPCJWRAOXKW-JTQLQIEISA-N 1 2 340.901 3.640 20 0 EHADLO COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143503280 1037807812 /nfs/dbraw/zinc/80/78/12/1037807812.db2.gz PKGLZMNUSLHLDU-UHFFFAOYSA-N 1 2 335.753 3.744 20 0 EHADLO CSc1cc(F)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000646551103 1037811234 /nfs/dbraw/zinc/81/12/34/1037811234.db2.gz DUGVDCWWRXDZFH-SWLSCSKDSA-N 1 2 348.447 3.859 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096447 1037815850 /nfs/dbraw/zinc/81/58/50/1037815850.db2.gz LAZMIDGSZYJORE-WMZOPIPTSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096447 1037815868 /nfs/dbraw/zinc/81/58/68/1037815868.db2.gz LAZMIDGSZYJORE-WMZOPIPTSA-N 1 2 336.426 3.653 20 0 EHADLO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000540331152 1037829267 /nfs/dbraw/zinc/82/92/67/1037829267.db2.gz ORKNDAWSYANEQQ-LLVKDONJSA-N 1 2 336.407 3.976 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000115848162 1037833879 /nfs/dbraw/zinc/83/38/79/1037833879.db2.gz IPCMDISWACDBLP-MRXNPFEDSA-N 1 2 332.492 3.979 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000540349546 1037834367 /nfs/dbraw/zinc/83/43/67/1037834367.db2.gz YGAKPIABRWMDAH-FXAWDEMLSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000540349546 1037834393 /nfs/dbraw/zinc/83/43/93/1037834393.db2.gz YGAKPIABRWMDAH-FXAWDEMLSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000378080987 1037856407 /nfs/dbraw/zinc/85/64/07/1037856407.db2.gz VZPCAGWBNBKKBW-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000378080987 1037856417 /nfs/dbraw/zinc/85/64/17/1037856417.db2.gz VZPCAGWBNBKKBW-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO CC1(c2ccccc2)CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001127143240 1037865137 /nfs/dbraw/zinc/86/51/37/1037865137.db2.gz CUCUWBRGEKKXBN-UHFFFAOYSA-N 1 2 333.435 3.965 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492023584 1037880539 /nfs/dbraw/zinc/88/05/39/1037880539.db2.gz ZHBAXLDUWODNTP-UCCUKHFHSA-N 1 2 349.356 3.685 20 0 EHADLO Clc1ccc2nc(C[NH2+][C@H]3COc4c3cccc4Cl)cn2c1 ZINC000378091444 1037881441 /nfs/dbraw/zinc/88/14/41/1037881441.db2.gz LJRUGDSUVJWYOZ-AWEZNQCLSA-N 1 2 334.206 3.864 20 0 EHADLO O=C(Nc1cccc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000036422810 1037902501 /nfs/dbraw/zinc/90/25/01/1037902501.db2.gz KOUMOAVDGHZIEQ-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CC(C)[C@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)c1nc(C2CC2)no1 ZINC000925409032 1037905136 /nfs/dbraw/zinc/90/51/36/1037905136.db2.gz BNZCIRPZPLXMDC-WBMJQRKESA-N 1 2 329.448 3.916 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1cccs1 ZINC000584553337 1037912497 /nfs/dbraw/zinc/91/24/97/1037912497.db2.gz OUPHUPDLJBDWBF-SFHVURJKSA-N 1 2 346.496 3.993 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1cccs1 ZINC000584553337 1037912513 /nfs/dbraw/zinc/91/25/13/1037912513.db2.gz OUPHUPDLJBDWBF-SFHVURJKSA-N 1 2 346.496 3.993 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000183068135 1037928582 /nfs/dbraw/zinc/92/85/82/1037928582.db2.gz QRDVYLBOZJLEHA-GFCCVEGCSA-N 1 2 327.494 3.612 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000183068135 1037928594 /nfs/dbraw/zinc/92/85/94/1037928594.db2.gz QRDVYLBOZJLEHA-GFCCVEGCSA-N 1 2 327.494 3.612 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000540461129 1037961650 /nfs/dbraw/zinc/96/16/50/1037961650.db2.gz WLFOSSXBIGPKMN-CHWSQXEVSA-N 1 2 348.393 3.501 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000573981950 1037964123 /nfs/dbraw/zinc/96/41/23/1037964123.db2.gz VEZDRIPUNNXUMW-UHFFFAOYSA-N 1 2 332.407 3.911 20 0 EHADLO O=C(NCc1ccco1)c1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000106303113 1038016799 /nfs/dbraw/zinc/01/67/99/1038016799.db2.gz SPGWZBZFVUSNEX-UHFFFAOYSA-N 1 2 332.403 3.725 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000378141443 1038023972 /nfs/dbraw/zinc/02/39/72/1038023972.db2.gz NJRSKEVXYXIYKL-MRXNPFEDSA-N 1 2 340.814 3.644 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cs1 ZINC000336869951 1038024715 /nfs/dbraw/zinc/02/47/15/1038024715.db2.gz GICMPWGPKJHNME-PBFPGSCMSA-N 1 2 332.469 3.675 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cs1 ZINC000336869951 1038024740 /nfs/dbraw/zinc/02/47/40/1038024740.db2.gz GICMPWGPKJHNME-PBFPGSCMSA-N 1 2 332.469 3.675 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000123801556 1038079496 /nfs/dbraw/zinc/07/94/96/1038079496.db2.gz UDZVCGCCFNUAGN-MOFCZTIZSA-N 1 2 349.478 3.587 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000416122639 1038175880 /nfs/dbraw/zinc/17/58/80/1038175880.db2.gz JZKLCWIPBQARLK-IAGOWNOFSA-N 1 2 335.407 3.630 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000124445657 1038188648 /nfs/dbraw/zinc/18/86/48/1038188648.db2.gz LMENXXBGIKAKMV-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@H]3CCCc4cn[nH]c43)n2)c1 ZINC000893173047 1038209211 /nfs/dbraw/zinc/20/92/11/1038209211.db2.gz KCBUWEVBLJZWKL-HNNXBMFYSA-N 1 2 340.452 3.709 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@H]3CCCc4c[nH]nc43)n2)c1 ZINC000893173047 1038209226 /nfs/dbraw/zinc/20/92/26/1038209226.db2.gz KCBUWEVBLJZWKL-HNNXBMFYSA-N 1 2 340.452 3.709 20 0 EHADLO C[C@H](COc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000125222419 1038296070 /nfs/dbraw/zinc/29/60/70/1038296070.db2.gz JPSUHJDCSBXLBD-CQSZACIVSA-N 1 2 339.370 3.665 20 0 EHADLO Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043421406 1038320481 /nfs/dbraw/zinc/32/04/81/1038320481.db2.gz JMHNWNJYDFTYDG-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](OC(F)F)C3)n2)ccc1F ZINC000549407588 1038336835 /nfs/dbraw/zinc/33/68/35/1038336835.db2.gz FUOBUNJYUOFFJP-PWSUYJOCSA-N 1 2 341.333 3.559 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@H](OC(F)F)C3)n2)ccc1F ZINC000549407588 1038336851 /nfs/dbraw/zinc/33/68/51/1038336851.db2.gz FUOBUNJYUOFFJP-PWSUYJOCSA-N 1 2 341.333 3.559 20 0 EHADLO Cc1c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)oc2c1c(C)ccc2C ZINC000378272078 1038356102 /nfs/dbraw/zinc/35/61/02/1038356102.db2.gz XCQDCRXQEFEYIS-HNNXBMFYSA-N 1 2 337.423 3.721 20 0 EHADLO O=C(Cc1cccs1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378277523 1038367166 /nfs/dbraw/zinc/36/71/66/1038367166.db2.gz NGNUPKBSOYFIQS-UHFFFAOYSA-N 1 2 335.432 3.845 20 0 EHADLO O=C(CCc1ccccn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378277710 1038367855 /nfs/dbraw/zinc/36/78/55/1038367855.db2.gz PGJCWYNWEKJEPP-UHFFFAOYSA-N 1 2 344.418 3.568 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ccc(Br)cn1 ZINC000538608923 1038435917 /nfs/dbraw/zinc/43/59/17/1038435917.db2.gz KABBCGGCGQZVMW-UHFFFAOYSA-N 1 2 345.244 3.638 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)COc2c(F)cccc2F)c(C)[nH+]1 ZINC000667119604 1038456040 /nfs/dbraw/zinc/45/60/40/1038456040.db2.gz XOJKEFOFAYSJRK-LBPRGKRZSA-N 1 2 349.381 3.874 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1OC(F)F ZINC000678120853 1038460231 /nfs/dbraw/zinc/46/02/31/1038460231.db2.gz RKVUGVKYMQSATB-UHFFFAOYSA-N 1 2 341.785 3.936 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1OC(F)F ZINC000678120853 1038460240 /nfs/dbraw/zinc/46/02/40/1038460240.db2.gz RKVUGVKYMQSATB-UHFFFAOYSA-N 1 2 341.785 3.936 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000538737709 1038502298 /nfs/dbraw/zinc/50/22/98/1038502298.db2.gz YIWMXEFCUVJJCY-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000538737709 1038502303 /nfs/dbraw/zinc/50/23/03/1038502303.db2.gz YIWMXEFCUVJJCY-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000378434289 1038614737 /nfs/dbraw/zinc/61/47/37/1038614737.db2.gz KHZPOCUGGRGFTI-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(CC(F)(F)F)cc1 ZINC000651380315 1038644672 /nfs/dbraw/zinc/64/46/72/1038644672.db2.gz LUARGTMYQMFVBM-UHFFFAOYSA-N 1 2 337.345 3.505 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667205101 1038694384 /nfs/dbraw/zinc/69/43/84/1038694384.db2.gz MZTIHAMSQSTKCF-AQFXKWCLSA-N 1 2 330.476 3.658 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)n1cc[nH+]c1 ZINC001125884554 1038704259 /nfs/dbraw/zinc/70/42/59/1038704259.db2.gz UNVKVYHECRSOQE-ZDUSSCGKSA-N 1 2 340.358 3.799 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H](c2ccsc2)O1 ZINC000378568491 1038730053 /nfs/dbraw/zinc/73/00/53/1038730053.db2.gz XKSKHKZUVANDPR-YVEFUNNKSA-N 1 2 329.425 3.693 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H](c2ccsc2)O1 ZINC000378568491 1038730063 /nfs/dbraw/zinc/73/00/63/1038730063.db2.gz XKSKHKZUVANDPR-YVEFUNNKSA-N 1 2 329.425 3.693 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](S(C)(=O)=O)C3)o2)cc1 ZINC000462075230 1038747480 /nfs/dbraw/zinc/74/74/80/1038747480.db2.gz RBXHTNROQQNADT-SFHVURJKSA-N 1 2 347.480 3.518 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CCC[C@H](S(C)(=O)=O)C3)o2)cc1 ZINC000462075230 1038747489 /nfs/dbraw/zinc/74/74/89/1038747489.db2.gz RBXHTNROQQNADT-SFHVURJKSA-N 1 2 347.480 3.518 20 0 EHADLO Cc1cccc(C)c1OCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363884727 1038766910 /nfs/dbraw/zinc/76/69/10/1038766910.db2.gz SOXAYMTZMHWDMD-GOSISDBHSA-N 1 2 336.439 3.570 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccccc1Oc1cccnc1)CC(C)C ZINC000500468035 1038779741 /nfs/dbraw/zinc/77/97/41/1038779741.db2.gz AHXGAVLIOKBSLY-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccccc1Oc1cccnc1)CC(C)C ZINC000500468035 1038779758 /nfs/dbraw/zinc/77/97/58/1038779758.db2.gz AHXGAVLIOKBSLY-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCOC2(CCCC2)C1 ZINC000485260551 1038820924 /nfs/dbraw/zinc/82/09/24/1038820924.db2.gz LUHOALQPSJUACX-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCOC2(CCCC2)C1 ZINC000485260551 1038820948 /nfs/dbraw/zinc/82/09/48/1038820948.db2.gz LUHOALQPSJUACX-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO Cc1cnc(Cl)c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000905405328 1038863184 /nfs/dbraw/zinc/86/31/84/1038863184.db2.gz HHTNPQQFSYXCHZ-ZIAGYGMSSA-N 1 2 346.862 3.664 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667575891 1038888984 /nfs/dbraw/zinc/88/89/84/1038888984.db2.gz XQYZAKXHWNMBRV-NCXUSEDFSA-N 1 2 337.467 3.708 20 0 EHADLO Cn1cc(CNc2[nH+]c3ccccc3n2CC2CC2)c(C(F)F)n1 ZINC000905426656 1038890215 /nfs/dbraw/zinc/89/02/15/1038890215.db2.gz QDFGLTXTJSVWGD-UHFFFAOYSA-N 1 2 331.370 3.730 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)CC(F)(F)F)c1C ZINC000667577317 1038899242 /nfs/dbraw/zinc/89/92/42/1038899242.db2.gz JQLUKJNHXXICKE-UHFFFAOYSA-N 1 2 332.366 3.644 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cc(C)cc(C)c2)c1C ZINC000667576874 1038901807 /nfs/dbraw/zinc/90/18/07/1038901807.db2.gz XZYGSDZSABGSJH-UHFFFAOYSA-N 1 2 326.440 3.525 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(SC(F)F)cc1 ZINC000178364352 1038929116 /nfs/dbraw/zinc/92/91/16/1038929116.db2.gz NZJDLHRFNMRSNA-UHFFFAOYSA-N 1 2 333.363 3.579 20 0 EHADLO CCc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)o1 ZINC000488210549 1038956220 /nfs/dbraw/zinc/95/62/20/1038956220.db2.gz MZAFUUBXIYZHOH-UHFFFAOYSA-N 1 2 346.496 3.732 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccccc1F ZINC000760624018 1039003144 /nfs/dbraw/zinc/00/31/44/1039003144.db2.gz VFCVZCCZODEUIU-ZHACJKMWSA-N 1 2 329.419 3.537 20 0 EHADLO C[N@H+](Cc1cc2ccncc2s1)Cc1nccn1CC(F)(F)F ZINC000667592560 1039042507 /nfs/dbraw/zinc/04/25/07/1039042507.db2.gz XWHOUWIEYACOSP-UHFFFAOYSA-N 1 2 340.374 3.687 20 0 EHADLO C[N@@H+](Cc1cc2ccncc2s1)Cc1nccn1CC(F)(F)F ZINC000667592560 1039042524 /nfs/dbraw/zinc/04/25/24/1039042524.db2.gz XWHOUWIEYACOSP-UHFFFAOYSA-N 1 2 340.374 3.687 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000552165765 1039047851 /nfs/dbraw/zinc/04/78/51/1039047851.db2.gz DYKNTARSVSTGNR-KRWDZBQOSA-N 1 2 327.472 3.782 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000554214868 1039065788 /nfs/dbraw/zinc/06/57/88/1039065788.db2.gz UPNAEIJOZRSGFV-CQSZACIVSA-N 1 2 340.402 3.626 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000552230719 1039096317 /nfs/dbraw/zinc/09/63/17/1039096317.db2.gz VFHJWJYAAOZNAS-WKILWMFISA-N 1 2 329.831 3.888 20 0 EHADLO C[C@@H]1CCN(c2ncc(F)c(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000418906739 1039109294 /nfs/dbraw/zinc/10/92/94/1039109294.db2.gz QYBSSFYLZOCKLV-IUODEOHRSA-N 1 2 343.431 3.628 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCc3c(F)ccc(Br)c3C2)CO1 ZINC000660646374 1039121812 /nfs/dbraw/zinc/12/18/12/1039121812.db2.gz ZHKDZGZCGOMLOH-JTQLQIEISA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCc3c(F)ccc(Br)c3C2)CO1 ZINC000660646374 1039121814 /nfs/dbraw/zinc/12/18/14/1039121814.db2.gz ZHKDZGZCGOMLOH-JTQLQIEISA-N 1 2 328.225 3.514 20 0 EHADLO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2ncnn2CC(F)F)c1C ZINC000488412453 1039167878 /nfs/dbraw/zinc/16/78/78/1039167878.db2.gz LNBXZFXGCYEINR-INIZCTEOSA-N 1 2 334.414 3.887 20 0 EHADLO Cc1cccc([C@@H]2CCCC[N@H+]2Cc2ncnn2CC(F)F)c1C ZINC000488412453 1039167884 /nfs/dbraw/zinc/16/78/84/1039167884.db2.gz LNBXZFXGCYEINR-INIZCTEOSA-N 1 2 334.414 3.887 20 0 EHADLO CO[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000614053629 1039172142 /nfs/dbraw/zinc/17/21/42/1039172142.db2.gz ACVMYAARZZWAST-QAPCUYQASA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)c(=O)c1 ZINC000663834546 1039180312 /nfs/dbraw/zinc/18/03/12/1039180312.db2.gz UHIGQJYQQRTOOU-FQEVSTJZSA-N 1 2 338.451 3.854 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)c(=O)c1 ZINC000663834546 1039180323 /nfs/dbraw/zinc/18/03/23/1039180323.db2.gz UHIGQJYQQRTOOU-FQEVSTJZSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccccc2)O1 ZINC000512461912 1039259049 /nfs/dbraw/zinc/25/90/49/1039259049.db2.gz GNIRDAMLMGKRHT-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccccc2)O1 ZINC000512461912 1039259061 /nfs/dbraw/zinc/25/90/61/1039259061.db2.gz GNIRDAMLMGKRHT-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000237007912 1039292135 /nfs/dbraw/zinc/29/21/35/1039292135.db2.gz RBXCVKPMXTVSEM-HNNXBMFYSA-N 1 2 337.423 3.910 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nnc(C)o1 ZINC000668519740 1039300466 /nfs/dbraw/zinc/30/04/66/1039300466.db2.gz BGLDUNFXEWFSAK-XFFZJAGNSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nnc(C)o1 ZINC000668519740 1039300483 /nfs/dbraw/zinc/30/04/83/1039300483.db2.gz BGLDUNFXEWFSAK-XFFZJAGNSA-N 1 2 325.334 3.932 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000348582555 1039302452 /nfs/dbraw/zinc/30/24/52/1039302452.db2.gz VTAKLBKJSIHTFG-SFHVURJKSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000348582555 1039302464 /nfs/dbraw/zinc/30/24/64/1039302464.db2.gz VTAKLBKJSIHTFG-SFHVURJKSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651415818 1039303192 /nfs/dbraw/zinc/30/31/92/1039303192.db2.gz OAPJFCNMQSWOLK-WMLDXEAASA-N 1 2 341.455 3.663 20 0 EHADLO COc1cccc2c(NCc3cc4ccccc4n(C)c3=O)cc[nH+]c12 ZINC000488690653 1039332572 /nfs/dbraw/zinc/33/25/72/1039332572.db2.gz UGRKOCLFJRXMTG-UHFFFAOYSA-N 1 2 345.402 3.707 20 0 EHADLO CCCn1cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000668523843 1039343220 /nfs/dbraw/zinc/34/32/20/1039343220.db2.gz WPNKCVYFWGGMBN-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO CCCn1cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)cn1 ZINC000668523843 1039343235 /nfs/dbraw/zinc/34/32/35/1039343235.db2.gz WPNKCVYFWGGMBN-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO CCOc1ccc(-c2cc(C)c3[nH+]cc(CO)n3c2)cc1OCC ZINC000906152312 1039346145 /nfs/dbraw/zinc/34/61/45/1039346145.db2.gz HPJSRVRBFKFMIQ-UHFFFAOYSA-N 1 2 326.396 3.599 20 0 EHADLO C[C@@H](CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000067066143 1039384653 /nfs/dbraw/zinc/38/46/53/1039384653.db2.gz FNJIUPBMFHHGQC-KRWDZBQOSA-N 1 2 348.450 3.817 20 0 EHADLO O=C([C@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651725 1039385255 /nfs/dbraw/zinc/38/52/55/1039385255.db2.gz GDWXSGAJCJMRJW-OALUTQOASA-N 1 2 337.467 3.775 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000668874027 1039391689 /nfs/dbraw/zinc/39/16/89/1039391689.db2.gz AAGVKHFOWMDWAP-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000668874027 1039391699 /nfs/dbraw/zinc/39/16/99/1039391699.db2.gz AAGVKHFOWMDWAP-UHFFFAOYSA-N 1 2 342.874 3.597 20 0 EHADLO C[C@H](O)c1ncc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000368586799 1039420818 /nfs/dbraw/zinc/42/08/18/1039420818.db2.gz ZPQTVFVVYHKUFM-WRWORJQWSA-N 1 2 345.251 3.727 20 0 EHADLO Fc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)o2)cc1 ZINC000485704851 1039430629 /nfs/dbraw/zinc/43/06/29/1039430629.db2.gz ZPPPUXHHDUKSPO-LJQANCHMSA-N 1 2 345.414 3.713 20 0 EHADLO Fc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)o2)cc1 ZINC000485704851 1039430639 /nfs/dbraw/zinc/43/06/39/1039430639.db2.gz ZPPPUXHHDUKSPO-LJQANCHMSA-N 1 2 345.414 3.713 20 0 EHADLO c1c(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nnn1C1CC1 ZINC000906266098 1039448399 /nfs/dbraw/zinc/44/83/99/1039448399.db2.gz LNQGNAIKYXPJCP-NRFANRHFSA-N 1 2 330.435 3.761 20 0 EHADLO c1c(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nnn1C1CC1 ZINC000906266098 1039448416 /nfs/dbraw/zinc/44/84/16/1039448416.db2.gz LNQGNAIKYXPJCP-NRFANRHFSA-N 1 2 330.435 3.761 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3C[C@H](C)C[C@@H]3c3cccnc3)nn2)cc1 ZINC000906296310 1039455460 /nfs/dbraw/zinc/45/54/60/1039455460.db2.gz KKBNWVHLZHFITD-OXQOHEQNSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3C[C@H](C)C[C@@H]3c3cccnc3)nn2)cc1 ZINC000906296310 1039455468 /nfs/dbraw/zinc/45/54/68/1039455468.db2.gz KKBNWVHLZHFITD-OXQOHEQNSA-N 1 2 333.439 3.554 20 0 EHADLO CN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCC(C)(C)CC1 ZINC000554543604 1039464522 /nfs/dbraw/zinc/46/45/22/1039464522.db2.gz ZADWMUZCQNETAY-UHFFFAOYSA-N 1 2 341.459 3.759 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCOC4(CCC4)C3)cn2)cc1 ZINC000667666388 1039469898 /nfs/dbraw/zinc/46/98/98/1039469898.db2.gz KWUCMYXMLRRHHL-UHFFFAOYSA-N 1 2 328.387 3.768 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCOC4(CCC4)C3)cn2)cc1 ZINC000667666388 1039469918 /nfs/dbraw/zinc/46/99/18/1039469918.db2.gz KWUCMYXMLRRHHL-UHFFFAOYSA-N 1 2 328.387 3.768 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667665438 1039478044 /nfs/dbraw/zinc/47/80/44/1039478044.db2.gz KPFIWJGAAJOYDF-SNVBAGLBSA-N 1 2 346.422 3.959 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667665438 1039478054 /nfs/dbraw/zinc/47/80/54/1039478054.db2.gz KPFIWJGAAJOYDF-SNVBAGLBSA-N 1 2 346.422 3.959 20 0 EHADLO O=C1CC[C@@H]2C[N@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@@H]2N1 ZINC000668543609 1039498395 /nfs/dbraw/zinc/49/83/95/1039498395.db2.gz WOKSSZUTBOQPGN-RNCFNFMXSA-N 1 2 347.673 3.747 20 0 EHADLO O=C1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@@H]2N1 ZINC000668543609 1039498400 /nfs/dbraw/zinc/49/84/00/1039498400.db2.gz WOKSSZUTBOQPGN-RNCFNFMXSA-N 1 2 347.673 3.747 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)n1 ZINC000906377507 1039500004 /nfs/dbraw/zinc/50/00/04/1039500004.db2.gz YSPUWEJCBPVGER-UHFFFAOYSA-N 1 2 344.484 3.702 20 0 EHADLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC1(C)C ZINC000488944559 1039507436 /nfs/dbraw/zinc/50/74/36/1039507436.db2.gz AZMPLOCUYQHABE-KRWDZBQOSA-N 1 2 336.439 3.864 20 0 EHADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1c(F)ccc(Br)c1F ZINC000906396089 1039521040 /nfs/dbraw/zinc/52/10/40/1039521040.db2.gz ULXXUDCMDWKEGO-NSHDSACASA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1c(F)ccc(Br)c1F ZINC000906396089 1039521052 /nfs/dbraw/zinc/52/10/52/1039521052.db2.gz ULXXUDCMDWKEGO-NSHDSACASA-N 1 2 347.203 3.539 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432850325 1039544212 /nfs/dbraw/zinc/54/42/12/1039544212.db2.gz FOFKRHKVDKXIGN-OAHLLOKOSA-N 1 2 330.476 3.988 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000489017537 1039547728 /nfs/dbraw/zinc/54/77/28/1039547728.db2.gz RUZJVGCHLGPJBG-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000489017537 1039547744 /nfs/dbraw/zinc/54/77/44/1039547744.db2.gz RUZJVGCHLGPJBG-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO Cc1cc(C)c(C(=O)NCCCCOCc2ccccc2)c(C)[nH+]1 ZINC000906465189 1039581411 /nfs/dbraw/zinc/58/14/11/1039581411.db2.gz FVADXLDXFHLBBF-UHFFFAOYSA-N 1 2 326.440 3.734 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000584710568 1039588776 /nfs/dbraw/zinc/58/87/76/1039588776.db2.gz FWQJWEFHUUKUPY-ZWKOTPCHSA-N 1 2 337.467 3.798 20 0 EHADLO CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1(C)C ZINC001126841543 1039590233 /nfs/dbraw/zinc/59/02/33/1039590233.db2.gz ANJAQCGZYNKWFL-DLBZAZTESA-N 1 2 343.471 3.699 20 0 EHADLO C[C@H](c1cccc(N=c2[nH]c3c(cccc3F)o2)c1)[NH+]1CCOCC1 ZINC000485851977 1039603156 /nfs/dbraw/zinc/60/31/56/1039603156.db2.gz WMFWOVYOXUNHCQ-CYBMUJFWSA-N 1 2 341.386 3.526 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279938838 1039610574 /nfs/dbraw/zinc/61/05/74/1039610574.db2.gz XCPFGKLQIAARAP-HOTGVXAUSA-N 1 2 342.439 3.673 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279938838 1039610581 /nfs/dbraw/zinc/61/05/81/1039610581.db2.gz XCPFGKLQIAARAP-HOTGVXAUSA-N 1 2 342.439 3.673 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000552918495 1039634439 /nfs/dbraw/zinc/63/44/39/1039634439.db2.gz BVAFAVKOUDGFOC-SFHVURJKSA-N 1 2 325.456 3.970 20 0 EHADLO Cc1occc1-c1nn(C[N@H+](C2CC2)C2CCCC2)c(=S)n1C ZINC000042094438 1039636666 /nfs/dbraw/zinc/63/66/66/1039636666.db2.gz HYEIFYKJLNAQJX-UHFFFAOYSA-N 1 2 332.473 3.884 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+](C2CC2)C2CCCC2)c(=S)n1C ZINC000042094438 1039636674 /nfs/dbraw/zinc/63/66/74/1039636674.db2.gz HYEIFYKJLNAQJX-UHFFFAOYSA-N 1 2 332.473 3.884 20 0 EHADLO CC(C)C[C@H](c1nc(-c2ccc(N(C)C)c(F)c2)no1)n1cc[nH+]c1 ZINC000923928280 1039647621 /nfs/dbraw/zinc/64/76/21/1039647621.db2.gz UGMUEGBIZOFTDV-MRXNPFEDSA-N 1 2 343.406 3.774 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(F)c1F ZINC000667691549 1039660697 /nfs/dbraw/zinc/66/06/97/1039660697.db2.gz DSSAPFSCWIVANC-LBPRGKRZSA-N 1 2 337.345 3.744 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(F)c1F ZINC000667691549 1039660707 /nfs/dbraw/zinc/66/07/07/1039660707.db2.gz DSSAPFSCWIVANC-LBPRGKRZSA-N 1 2 337.345 3.744 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@H](C)O1 ZINC000480539347 1039661378 /nfs/dbraw/zinc/66/13/78/1039661378.db2.gz KUAPGAUQLRWBJU-YJBOKZPZSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@H](C)O1 ZINC000480539347 1039661386 /nfs/dbraw/zinc/66/13/86/1039661386.db2.gz KUAPGAUQLRWBJU-YJBOKZPZSA-N 1 2 344.430 3.799 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898901855 1039679104 /nfs/dbraw/zinc/67/91/04/1039679104.db2.gz HLKBHCOPKMYDEB-RBUKOAKNSA-N 1 2 333.435 3.691 20 0 EHADLO CC(C)(CNC(=O)Cc1cc(Cl)cc2ccccc21)n1cc[nH+]c1 ZINC000898911183 1039701654 /nfs/dbraw/zinc/70/16/54/1039701654.db2.gz NCIQDQVQRYBKTP-UHFFFAOYSA-N 1 2 341.842 3.784 20 0 EHADLO CC1(C)c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000553025488 1039712211 /nfs/dbraw/zinc/71/22/11/1039712211.db2.gz APNCYBXWAOFGPG-UHFFFAOYSA-N 1 2 330.378 3.697 20 0 EHADLO CC1(C)c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000553025488 1039712225 /nfs/dbraw/zinc/71/22/25/1039712225.db2.gz APNCYBXWAOFGPG-UHFFFAOYSA-N 1 2 330.378 3.697 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2nc3ccccc3n2C(C)C)c(C)[nH+]1 ZINC000906743033 1039726615 /nfs/dbraw/zinc/72/66/15/1039726615.db2.gz PKYDDUPHTPUXJS-UHFFFAOYSA-N 1 2 336.439 3.867 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2)c1 ZINC000553083789 1039764808 /nfs/dbraw/zinc/76/48/08/1039764808.db2.gz WRSKBURPWCLOMB-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C ZINC000553095495 1039768794 /nfs/dbraw/zinc/76/87/94/1039768794.db2.gz ZDXGRAXPIKYZNA-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO CCc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nnc1-c1ccccc1 ZINC000663853167 1039809811 /nfs/dbraw/zinc/80/98/11/1039809811.db2.gz BFLREPCTXDLNSH-LJQANCHMSA-N 1 2 346.434 3.759 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000554852334 1039834212 /nfs/dbraw/zinc/83/42/12/1039834212.db2.gz DLVKJQPCMDEPQZ-IAGOWNOFSA-N 1 2 327.827 3.754 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000554852334 1039834222 /nfs/dbraw/zinc/83/42/22/1039834222.db2.gz DLVKJQPCMDEPQZ-IAGOWNOFSA-N 1 2 327.827 3.754 20 0 EHADLO CCCC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCC1 ZINC000468971320 1039844087 /nfs/dbraw/zinc/84/40/87/1039844087.db2.gz LDZDGSMVSLNKGY-POHAHGRESA-N 1 2 326.484 3.814 20 0 EHADLO Cc1cc(NC(=O)CCCCc2ccc(Br)cc2)cc[nH+]1 ZINC000486072258 1039856915 /nfs/dbraw/zinc/85/69/15/1039856915.db2.gz CHRWYYNAOSGOQO-UHFFFAOYSA-N 1 2 347.256 3.926 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000417493481 1039902467 /nfs/dbraw/zinc/90/24/67/1039902467.db2.gz YTJFVYUQYNJNJW-GUYCJALGSA-N 1 2 346.406 3.536 20 0 EHADLO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000912496046 1039921166 /nfs/dbraw/zinc/92/11/66/1039921166.db2.gz QLJNVJTVRGVWEG-TZMCWYRMSA-N 1 2 338.423 3.820 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc4[nH]c(=O)oc43)CCO2)cc1 ZINC000893986446 1039941845 /nfs/dbraw/zinc/94/18/45/1039941845.db2.gz SZJWHNFZHDMBCK-GOSISDBHSA-N 1 2 338.407 3.669 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc4[nH]c(=O)oc43)CCO2)cc1 ZINC000893986446 1039941861 /nfs/dbraw/zinc/94/18/61/1039941861.db2.gz SZJWHNFZHDMBCK-GOSISDBHSA-N 1 2 338.407 3.669 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000567484636 1039963549 /nfs/dbraw/zinc/96/35/49/1039963549.db2.gz VDWDXIBFXKCOQR-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000567484636 1039963560 /nfs/dbraw/zinc/96/35/60/1039963560.db2.gz VDWDXIBFXKCOQR-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cccc(Cl)c1F ZINC000489438747 1039976013 /nfs/dbraw/zinc/97/60/13/1039976013.db2.gz PQNFLUNXDNDRCB-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cccc(Cl)c1F ZINC000489438747 1039976028 /nfs/dbraw/zinc/97/60/28/1039976028.db2.gz PQNFLUNXDNDRCB-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000371804101 1040004657 /nfs/dbraw/zinc/00/46/57/1040004657.db2.gz UQLDMWXFFNXPOH-NSHDSACASA-N 1 2 326.263 3.879 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000371804101 1040004674 /nfs/dbraw/zinc/00/46/74/1040004674.db2.gz UQLDMWXFFNXPOH-NSHDSACASA-N 1 2 326.263 3.879 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000512553656 1040085273 /nfs/dbraw/zinc/08/52/73/1040085273.db2.gz HLMHMPGWXZKYOH-IAGOWNOFSA-N 1 2 345.487 3.876 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000899180464 1040113613 /nfs/dbraw/zinc/11/36/13/1040113613.db2.gz WOBMFJUWBZYQTM-NHCUHLMSSA-N 1 2 349.478 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000899180464 1040113621 /nfs/dbraw/zinc/11/36/21/1040113621.db2.gz WOBMFJUWBZYQTM-NHCUHLMSSA-N 1 2 349.478 3.658 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(Cl)c1 ZINC000428732927 1040121165 /nfs/dbraw/zinc/12/11/65/1040121165.db2.gz VOWXCPSURWYUAL-HZUKXOBISA-N 1 2 342.817 3.953 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(Cl)c1 ZINC000428732927 1040121176 /nfs/dbraw/zinc/12/11/76/1040121176.db2.gz VOWXCPSURWYUAL-HZUKXOBISA-N 1 2 342.817 3.953 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc3ccccc3s2)C1=O ZINC000245624774 1040155389 /nfs/dbraw/zinc/15/53/89/1040155389.db2.gz OPXBNUVEOQVIDP-HIFRSBDPSA-N 1 2 331.485 3.689 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc3ccccc3s2)C1=O ZINC000245624774 1040155402 /nfs/dbraw/zinc/15/54/02/1040155402.db2.gz OPXBNUVEOQVIDP-HIFRSBDPSA-N 1 2 331.485 3.689 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC2(CC2)C1 ZINC000907811032 1040178043 /nfs/dbraw/zinc/17/80/43/1040178043.db2.gz RXLAQRYDQXLFFL-HNNXBMFYSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC2(CC2)C1 ZINC000907811032 1040178050 /nfs/dbraw/zinc/17/80/50/1040178050.db2.gz RXLAQRYDQXLFFL-HNNXBMFYSA-N 1 2 327.472 3.621 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(C)(F)F ZINC000907816568 1040184956 /nfs/dbraw/zinc/18/49/56/1040184956.db2.gz VLRRNXUZGQOPSR-DGCLKSJQSA-N 1 2 339.430 3.722 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(C)(F)F ZINC000907816568 1040184962 /nfs/dbraw/zinc/18/49/62/1040184962.db2.gz VLRRNXUZGQOPSR-DGCLKSJQSA-N 1 2 339.430 3.722 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1Br ZINC000156713326 1040202528 /nfs/dbraw/zinc/20/25/28/1040202528.db2.gz MSIYJCSKQXIRLE-UHFFFAOYSA-N 1 2 338.176 3.607 20 0 EHADLO C/C(=C(\F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000907840153 1040206790 /nfs/dbraw/zinc/20/67/90/1040206790.db2.gz DOWRYDOXJXXMIM-GHRIWEEISA-N 1 2 331.435 3.579 20 0 EHADLO c1csc(C[N@H+](Cc2ccnn2CC2CC2)C[C@H]2CCCO2)c1 ZINC000667486680 1040231211 /nfs/dbraw/zinc/23/12/11/1040231211.db2.gz CDQOPWSHRICPLA-QGZVFWFLSA-N 1 2 331.485 3.536 20 0 EHADLO c1csc(C[N@@H+](Cc2ccnn2CC2CC2)C[C@H]2CCCO2)c1 ZINC000667486680 1040231227 /nfs/dbraw/zinc/23/12/27/1040231227.db2.gz CDQOPWSHRICPLA-QGZVFWFLSA-N 1 2 331.485 3.536 20 0 EHADLO CC(C)CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000481064067 1040310418 /nfs/dbraw/zinc/31/04/18/1040310418.db2.gz WRCMBFKWRUXSTR-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246380970 1040321418 /nfs/dbraw/zinc/32/14/18/1040321418.db2.gz HLLAOYGMLJDWPH-UGSOOPFHSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246380970 1040321432 /nfs/dbraw/zinc/32/14/32/1040321432.db2.gz HLLAOYGMLJDWPH-UGSOOPFHSA-N 1 2 330.453 3.669 20 0 EHADLO CCCCCOc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ccc1OC ZINC000190032037 1040329265 /nfs/dbraw/zinc/32/92/65/1040329265.db2.gz XUNQTEQLRMQOBG-HXUWFJFHSA-N 1 2 347.455 3.546 20 0 EHADLO CCCCCOc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ccc1OC ZINC000190032037 1040329278 /nfs/dbraw/zinc/32/92/78/1040329278.db2.gz XUNQTEQLRMQOBG-HXUWFJFHSA-N 1 2 347.455 3.546 20 0 EHADLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000481073462 1040335021 /nfs/dbraw/zinc/33/50/21/1040335021.db2.gz PHKCGEGRUYNHNO-CVEARBPZSA-N 1 2 346.519 3.666 20 0 EHADLO Cc1cc(N)nc(SCc2cc(F)c(C(F)(F)F)cc2F)[nH+]1 ZINC000553702500 1040364285 /nfs/dbraw/zinc/36/42/85/1040364285.db2.gz DYDCPVPBCXJPPS-UHFFFAOYSA-N 1 2 335.301 3.787 20 0 EHADLO O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000614183343 1040420887 /nfs/dbraw/zinc/42/08/87/1040420887.db2.gz QOPMSHRYIIQCEP-ZHALLVOQSA-N 1 2 328.456 3.668 20 0 EHADLO Cc1cc(C[NH+]2CCC(c3ccccc3Br)CC2)n(C)n1 ZINC000418008845 1040436659 /nfs/dbraw/zinc/43/66/59/1040436659.db2.gz DPIBGBZVEQQNIO-UHFFFAOYSA-N 1 2 348.288 3.871 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCCC2(CCCCC2)C1 ZINC000512678565 1040497186 /nfs/dbraw/zinc/49/71/86/1040497186.db2.gz PYLIMGZRJLMGJJ-QZTJIDSGSA-N 1 2 341.499 3.727 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cnsc3)no2)cc1 ZINC000924149061 1040541848 /nfs/dbraw/zinc/54/18/48/1040541848.db2.gz PCXPHURIQMDNGQ-AWEZNQCLSA-N 1 2 330.388 3.669 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cnsc3)no2)cc1 ZINC000924149061 1040541865 /nfs/dbraw/zinc/54/18/65/1040541865.db2.gz PCXPHURIQMDNGQ-AWEZNQCLSA-N 1 2 330.388 3.669 20 0 EHADLO CSC1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000899468784 1040555047 /nfs/dbraw/zinc/55/50/47/1040555047.db2.gz FVXPGSNFHQQVCE-GFCCVEGCSA-N 1 2 349.422 3.559 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccc(OC3CC3)c2F)cc1O ZINC000667544556 1040555668 /nfs/dbraw/zinc/55/56/68/1040555668.db2.gz LAKHQHGZAZEYPJ-UHFFFAOYSA-N 1 2 331.387 3.713 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccc(OC3CC3)c2F)cc1O ZINC000667544556 1040555673 /nfs/dbraw/zinc/55/56/73/1040555673.db2.gz LAKHQHGZAZEYPJ-UHFFFAOYSA-N 1 2 331.387 3.713 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C ZINC000247304117 1040556397 /nfs/dbraw/zinc/55/63/97/1040556397.db2.gz IWRVTNIUVLIBFT-HZMVEIRTSA-N 1 2 345.487 3.558 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000490545558 1040586961 /nfs/dbraw/zinc/58/69/61/1040586961.db2.gz OCPNXUUPPPZRDU-YZGWKJHDSA-N 1 2 337.467 3.549 20 0 EHADLO Cc1nc(NCC(C)(C)c2ccccn2)c(Br)c(C)[nH+]1 ZINC000663954542 1040589606 /nfs/dbraw/zinc/58/96/06/1040589606.db2.gz RUWWRTIYVRPQTJ-UHFFFAOYSA-N 1 2 335.249 3.641 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000429850562 1040606296 /nfs/dbraw/zinc/60/62/96/1040606296.db2.gz WLEFQJIBMYEBRP-UHFFFAOYSA-N 1 2 331.828 3.695 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cscc3C)CC2)s1 ZINC000487006876 1040632958 /nfs/dbraw/zinc/63/29/58/1040632958.db2.gz ADQWFCLGGPZTIU-UHFFFAOYSA-N 1 2 334.510 3.638 20 0 EHADLO CS[C@@H]1CCCC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000600132765 1040701957 /nfs/dbraw/zinc/70/19/57/1040701957.db2.gz OBCZSMZRRVGZTB-LLVKDONJSA-N 1 2 333.270 3.701 20 0 EHADLO CS[C@@H]1CCCC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000600132765 1040701964 /nfs/dbraw/zinc/70/19/64/1040701964.db2.gz OBCZSMZRRVGZTB-LLVKDONJSA-N 1 2 333.270 3.701 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3Cl)on2)cnn1C ZINC000419235479 1040672600 /nfs/dbraw/zinc/67/26/00/1040672600.db2.gz DBRSUVASZMANRT-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)nc(N)c2c1C ZINC000153436585 1040679731 /nfs/dbraw/zinc/67/97/31/1040679731.db2.gz AFGBSMQAXRQREY-ZDUSSCGKSA-N 1 2 328.441 3.820 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@H]3c3ccsc3)nc(N)c2c1C ZINC000153436585 1040679735 /nfs/dbraw/zinc/67/97/35/1040679735.db2.gz AFGBSMQAXRQREY-ZDUSSCGKSA-N 1 2 328.441 3.820 20 0 EHADLO CCCC(O)(CCC)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211757786 1040684230 /nfs/dbraw/zinc/68/42/30/1040684230.db2.gz QONNVDQRZDNCLZ-UHFFFAOYSA-N 1 2 326.400 3.710 20 0 EHADLO CC(C)c1ccc([C@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)cc1 ZINC000490679068 1040688522 /nfs/dbraw/zinc/68/85/22/1040688522.db2.gz YSBYELJDDVCQDI-GOSISDBHSA-N 1 2 325.460 3.859 20 0 EHADLO CC(C)c1ccc([C@H]2CCCC[N@H+]2Cc2nnnn2C2CC2)cc1 ZINC000490679068 1040688530 /nfs/dbraw/zinc/68/85/30/1040688530.db2.gz YSBYELJDDVCQDI-GOSISDBHSA-N 1 2 325.460 3.859 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000490744557 1040718040 /nfs/dbraw/zinc/71/80/40/1040718040.db2.gz IPHOGCGAKDKCPM-RLLQIKCJSA-N 1 2 349.478 3.826 20 0 EHADLO COc1ccccc1/C(C)=C/C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000067156556 1040724223 /nfs/dbraw/zinc/72/42/23/1040724223.db2.gz JYOWWOHJEKZRGC-DTQAZKPQSA-N 1 2 347.418 3.601 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000600167543 1040753901 /nfs/dbraw/zinc/75/39/01/1040753901.db2.gz GWTFPIUGHCDJNS-SNVBAGLBSA-N 1 2 333.270 3.558 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000600167543 1040753910 /nfs/dbraw/zinc/75/39/10/1040753910.db2.gz GWTFPIUGHCDJNS-SNVBAGLBSA-N 1 2 333.270 3.558 20 0 EHADLO CCOC(=O)c1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)n1 ZINC000600168776 1040756835 /nfs/dbraw/zinc/75/68/35/1040756835.db2.gz VOIBIVILQSWBJA-UHFFFAOYSA-N 1 2 344.842 3.586 20 0 EHADLO CC[C@@H](C[NH2+]Cc1c(F)ccc(O)c1F)N1CCc2ccccc2C1 ZINC000509784328 1040795457 /nfs/dbraw/zinc/79/54/57/1040795457.db2.gz VVSKRCSIPSYDTB-INIZCTEOSA-N 1 2 346.421 3.597 20 0 EHADLO Cc1csc(Nc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)n1 ZINC000600201183 1040822800 /nfs/dbraw/zinc/82/28/00/1040822800.db2.gz COJKLUDFOVJELV-UHFFFAOYSA-N 1 2 341.440 3.811 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCNc1cccc[nH+]1)CC2 ZINC000429858594 1040832075 /nfs/dbraw/zinc/83/20/75/1040832075.db2.gz NAUCDKCOGPEIHF-GOSISDBHSA-N 1 2 338.455 3.604 20 0 EHADLO CC(C)c1ccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000924761320 1040916265 /nfs/dbraw/zinc/91/62/65/1040916265.db2.gz FUJYONVAGZQDBA-UHFFFAOYSA-N 1 2 332.473 3.650 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc2ccccc21 ZINC000899653632 1040920143 /nfs/dbraw/zinc/92/01/43/1040920143.db2.gz CRZCTVOSHYHSJP-GUDVDZBRSA-N 1 2 333.435 3.944 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc2ccccc21 ZINC000899657412 1040943867 /nfs/dbraw/zinc/94/38/67/1040943867.db2.gz PKZPONGJGMERNZ-LPHOPBHVSA-N 1 2 333.435 3.866 20 0 EHADLO CCN(Cc1cccc(Cl)c1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586750148 1040996373 /nfs/dbraw/zinc/99/63/73/1040996373.db2.gz RYXBBRZTXPDKHM-UHFFFAOYSA-N 1 2 341.842 3.887 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3C3CCCCC3)[nH+]c12 ZINC000586752866 1040999021 /nfs/dbraw/zinc/99/90/21/1040999021.db2.gz IOGYNBBCORLGHW-SFHVURJKSA-N 1 2 325.456 3.757 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H](C3CCC3)C3CCCC3)[nH+]cn2)CC1 ZINC000664053140 1041006637 /nfs/dbraw/zinc/00/66/37/1041006637.db2.gz YWLJGTSXJQZCHT-LJQANCHMSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H](C3CCC3)C3CCCC3)nc[nH+]2)CC1 ZINC000664053140 1041006649 /nfs/dbraw/zinc/00/66/49/1041006649.db2.gz YWLJGTSXJQZCHT-LJQANCHMSA-N 1 2 344.503 3.599 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(Cc1ccccc1)C(C)C ZINC000586768221 1041006341 /nfs/dbraw/zinc/00/63/41/1041006341.db2.gz DAYDJLPRQYKRMO-UHFFFAOYSA-N 1 2 330.394 3.698 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(Cc1ccccc1)C(C)C ZINC000586768221 1041006352 /nfs/dbraw/zinc/00/63/52/1041006352.db2.gz DAYDJLPRQYKRMO-UHFFFAOYSA-N 1 2 330.394 3.698 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000586768234 1041006909 /nfs/dbraw/zinc/00/69/09/1041006909.db2.gz FVRBGVMLKDOTOA-UHFFFAOYSA-N 1 2 329.322 3.520 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000586768234 1041006934 /nfs/dbraw/zinc/00/69/34/1041006934.db2.gz FVRBGVMLKDOTOA-UHFFFAOYSA-N 1 2 329.322 3.520 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1nn(C)cc1Br ZINC000433180258 1041009544 /nfs/dbraw/zinc/00/95/44/1041009544.db2.gz IXOVNZGYRFMOTE-DZGCQCFKSA-N 1 2 348.288 3.951 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1nn(C)cc1Br ZINC000433180258 1041009555 /nfs/dbraw/zinc/00/95/55/1041009555.db2.gz IXOVNZGYRFMOTE-DZGCQCFKSA-N 1 2 348.288 3.951 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000047252575 1041033419 /nfs/dbraw/zinc/03/34/19/1041033419.db2.gz KGDBCQPXLIUQSA-UHFFFAOYSA-N 1 2 332.448 3.854 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000047252575 1041033434 /nfs/dbraw/zinc/03/34/34/1041033434.db2.gz KGDBCQPXLIUQSA-UHFFFAOYSA-N 1 2 332.448 3.854 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C(C)(F)F)cc3)[nH+]c12 ZINC000644799311 1041035505 /nfs/dbraw/zinc/03/55/05/1041035505.db2.gz PHWFNCNABFSNFE-UHFFFAOYSA-N 1 2 343.377 3.727 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000481563643 1041058635 /nfs/dbraw/zinc/05/86/35/1041058635.db2.gz DAUDRAVXEBIVRK-CTWPCTMYSA-N 1 2 347.499 3.653 20 0 EHADLO CCC[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCC1 ZINC000909930716 1041068521 /nfs/dbraw/zinc/06/85/21/1041068521.db2.gz UYOPBLNUYYUVIA-IBGZPJMESA-N 1 2 340.471 3.694 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000481581582 1041111992 /nfs/dbraw/zinc/11/19/92/1041111992.db2.gz OLHNXYUKLPKQGZ-PMACEKPBSA-N 1 2 340.467 3.504 20 0 EHADLO CCCCOc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000500913172 1041134488 /nfs/dbraw/zinc/13/44/88/1041134488.db2.gz GQQWUISTUNEAIU-QGZVFWFLSA-N 1 2 345.443 3.697 20 0 EHADLO CCCCOc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000500913172 1041134495 /nfs/dbraw/zinc/13/44/95/1041134495.db2.gz GQQWUISTUNEAIU-QGZVFWFLSA-N 1 2 345.443 3.697 20 0 EHADLO Cc1[nH]c(CNCc2csc(CCc3ccccc3)n2)[nH+]c1C ZINC000571062412 1041173677 /nfs/dbraw/zinc/17/36/77/1041173677.db2.gz SUKFCPSXAWHOTG-UHFFFAOYSA-N 1 2 326.469 3.558 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)[nH+]c1C ZINC000571106229 1041185540 /nfs/dbraw/zinc/18/55/40/1041185540.db2.gz BYVYYVWAQRFBEG-CYBMUJFWSA-N 1 2 340.471 3.819 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000419305177 1041187247 /nfs/dbraw/zinc/18/72/47/1041187247.db2.gz QVIBUXGGCNCNON-OTWHNJEPSA-N 1 2 349.434 3.983 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000433303860 1041244864 /nfs/dbraw/zinc/24/48/64/1041244864.db2.gz JMQMOSOULHPUAT-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000433303860 1041244880 /nfs/dbraw/zinc/24/48/80/1041244880.db2.gz JMQMOSOULHPUAT-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000052074443 1041269054 /nfs/dbraw/zinc/26/90/54/1041269054.db2.gz WYCKDTBCLZCGCZ-KBPBESRZSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000052074443 1041269067 /nfs/dbraw/zinc/26/90/67/1041269067.db2.gz WYCKDTBCLZCGCZ-KBPBESRZSA-N 1 2 332.394 3.835 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000584334301 1041270869 /nfs/dbraw/zinc/27/08/69/1041270869.db2.gz ABCQOTLZWLEEOS-IRXDYDNUSA-N 1 2 341.459 3.664 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C1 ZINC000126233125 1041280844 /nfs/dbraw/zinc/28/08/44/1041280844.db2.gz BGJHUBCNOJSNMI-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C1 ZINC000126233125 1041280855 /nfs/dbraw/zinc/28/08/55/1041280855.db2.gz BGJHUBCNOJSNMI-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555880743 1041290728 /nfs/dbraw/zinc/29/07/28/1041290728.db2.gz QWGNQRDLJHTUAD-CQSZACIVSA-N 1 2 332.407 3.581 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555880743 1041290740 /nfs/dbraw/zinc/29/07/40/1041290740.db2.gz QWGNQRDLJHTUAD-CQSZACIVSA-N 1 2 332.407 3.581 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc2c1CCCC2 ZINC000448679509 1041298082 /nfs/dbraw/zinc/29/80/82/1041298082.db2.gz DZSQXNRWLSKKMX-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000500385237 1041299130 /nfs/dbraw/zinc/29/91/30/1041299130.db2.gz QXWZQYXHMRZSJU-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000500385237 1041299141 /nfs/dbraw/zinc/29/91/41/1041299141.db2.gz QXWZQYXHMRZSJU-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H](C2CCCCC2)C1 ZINC000660438160 1041356451 /nfs/dbraw/zinc/35/64/51/1041356451.db2.gz SIOQBHRGKYIDHE-SFHVURJKSA-N 1 2 332.492 3.665 20 0 EHADLO Oc1cc(F)cc(C[NH2+]Cc2cc(F)c(F)cc2Br)c1 ZINC000512991755 1041369839 /nfs/dbraw/zinc/36/98/39/1041369839.db2.gz GSNQFPMRCXRXHC-UHFFFAOYSA-N 1 2 346.146 3.862 20 0 EHADLO CCCC(CCC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000509878123 1041403953 /nfs/dbraw/zinc/40/39/53/1041403953.db2.gz DWNKCPICXSWKJN-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2coc(C)n2)cc1 ZINC000660452167 1041427166 /nfs/dbraw/zinc/42/71/66/1041427166.db2.gz BMXLROYDYAYSLM-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2coc(C)n2)cc1 ZINC000660452167 1041427176 /nfs/dbraw/zinc/42/71/76/1041427176.db2.gz BMXLROYDYAYSLM-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)oc1C ZINC000292891318 1041602869 /nfs/dbraw/zinc/60/28/69/1041602869.db2.gz JGUAVUIQMFPIHS-ZUZCIYMTSA-N 1 2 334.441 3.941 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)n1 ZINC000293240487 1041608639 /nfs/dbraw/zinc/60/86/39/1041608639.db2.gz HRWLFZDWMYIZBE-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)n1 ZINC000293240487 1041608645 /nfs/dbraw/zinc/60/86/45/1041608645.db2.gz HRWLFZDWMYIZBE-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000647692825 1041672358 /nfs/dbraw/zinc/67/23/58/1041672358.db2.gz WZZSFTLEYSYLJT-IAGOWNOFSA-N 1 2 349.544 3.824 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1[C@@H]1CCCO1 ZINC000660564377 1041674771 /nfs/dbraw/zinc/67/47/71/1041674771.db2.gz UNQQKSGGUVBHKN-DZGCQCFKSA-N 1 2 329.362 3.817 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1[C@@H]1CCCO1 ZINC000660564377 1041674775 /nfs/dbraw/zinc/67/47/75/1041674775.db2.gz UNQQKSGGUVBHKN-DZGCQCFKSA-N 1 2 329.362 3.817 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618049 1041729752 /nfs/dbraw/zinc/72/97/52/1041729752.db2.gz CHPOWSOIZIFKSH-SMDDNHRTSA-N 1 2 336.892 3.948 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618049 1041729755 /nfs/dbraw/zinc/72/97/55/1041729755.db2.gz CHPOWSOIZIFKSH-SMDDNHRTSA-N 1 2 336.892 3.948 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660749960 1041799987 /nfs/dbraw/zinc/79/99/87/1041799987.db2.gz VAITYSBZTQJNIB-UHFFFAOYSA-N 1 2 329.444 3.648 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)c(F)c1 ZINC000661163825 1041978221 /nfs/dbraw/zinc/97/82/21/1041978221.db2.gz QZUVJICUNQBFOM-CQSZACIVSA-N 1 2 330.403 3.934 20 0 EHADLO Cc1cc(Cl)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000123953957 1042009863 /nfs/dbraw/zinc/00/98/63/1042009863.db2.gz PSPDUPBZXPCJEC-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C1COc2c[nH+]c(NC3c4ccccc4-c4ccccc43)cc2N1 ZINC001167777500 1042080566 /nfs/dbraw/zinc/08/05/66/1042080566.db2.gz IQFONEZVIDKJFQ-UHFFFAOYSA-N 1 2 329.359 3.594 20 0 EHADLO CC[C@@H](CC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000728820126 1042090443 /nfs/dbraw/zinc/09/04/43/1042090443.db2.gz ZPROQVPHIWJCHT-INIZCTEOSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000661377771 1042092540 /nfs/dbraw/zinc/09/25/40/1042092540.db2.gz UOVPMAKDLXCTTH-UHFFFAOYSA-N 1 2 326.227 3.612 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccc2ccccc2c1 ZINC000661424015 1042113358 /nfs/dbraw/zinc/11/33/58/1042113358.db2.gz JZRALIXHLFWRNQ-KGLIPLIRSA-N 1 2 339.464 3.824 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc(OC)c1 ZINC000661477563 1042140027 /nfs/dbraw/zinc/14/00/27/1042140027.db2.gz GIQAEUKXDDVXMV-QGZVFWFLSA-N 1 2 344.436 3.889 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCc1ccc2c(c1)CCO2 ZINC001167781789 1042259592 /nfs/dbraw/zinc/25/95/92/1042259592.db2.gz NWKOAUXUTIFAJB-UHFFFAOYSA-N 1 2 340.423 3.513 20 0 EHADLO Cc1ccc2[nH]c(C[N@H+](C)CC(=O)NCc3cccs3)cc2c1C ZINC000473137062 1042267543 /nfs/dbraw/zinc/26/75/43/1042267543.db2.gz GHXNILZCSSFCKI-UHFFFAOYSA-N 1 2 341.480 3.594 20 0 EHADLO Cc1ccc2[nH]c(C[N@@H+](C)CC(=O)NCc3cccs3)cc2c1C ZINC000473137062 1042267548 /nfs/dbraw/zinc/26/75/48/1042267548.db2.gz GHXNILZCSSFCKI-UHFFFAOYSA-N 1 2 341.480 3.594 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@@](C)(c3cccc(OC)c3)C2)no1 ZINC000661711416 1042269991 /nfs/dbraw/zinc/26/99/91/1042269991.db2.gz VWIOUFFYVKMZMC-LJQANCHMSA-N 1 2 329.444 3.584 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@@](C)(c3cccc(OC)c3)C2)no1 ZINC000661711416 1042269994 /nfs/dbraw/zinc/26/99/94/1042269994.db2.gz VWIOUFFYVKMZMC-LJQANCHMSA-N 1 2 329.444 3.584 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000661740118 1042296740 /nfs/dbraw/zinc/29/67/40/1042296740.db2.gz IHRKBRAZGACBNJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000661740118 1042296744 /nfs/dbraw/zinc/29/67/44/1042296744.db2.gz IHRKBRAZGACBNJ-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000661738758 1042296877 /nfs/dbraw/zinc/29/68/77/1042296877.db2.gz VSWCSADKRBKZDO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000661738758 1042296883 /nfs/dbraw/zinc/29/68/83/1042296883.db2.gz VSWCSADKRBKZDO-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273701 1042299816 /nfs/dbraw/zinc/29/98/16/1042299816.db2.gz BTGSRVISGSMHAH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273701 1042299822 /nfs/dbraw/zinc/29/98/22/1042299822.db2.gz BTGSRVISGSMHAH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO O=C(NCCCC1CCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661825207 1042352145 /nfs/dbraw/zinc/35/21/45/1042352145.db2.gz VVLFKLIJPBCPTQ-QGZVFWFLSA-N 1 2 344.503 3.689 20 0 EHADLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473150622 1042355060 /nfs/dbraw/zinc/35/50/60/1042355060.db2.gz HNCDXHPYJWEDPR-HNNXBMFYSA-N 1 2 348.437 3.845 20 0 EHADLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473150622 1042355066 /nfs/dbraw/zinc/35/50/66/1042355066.db2.gz HNCDXHPYJWEDPR-HNNXBMFYSA-N 1 2 348.437 3.845 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)c1 ZINC000652330998 1042378702 /nfs/dbraw/zinc/37/87/02/1042378702.db2.gz VBTAWFCWPXRUTB-AWEZNQCLSA-N 1 2 337.427 3.599 20 0 EHADLO Cc1sc(C(=O)Nc2cccc3[nH+]ccn32)cc1Br ZINC001126178043 1042419261 /nfs/dbraw/zinc/41/92/61/1042419261.db2.gz QXYOPIRFKFEURO-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661955238 1042430583 /nfs/dbraw/zinc/43/05/83/1042430583.db2.gz DEODYDUDCYRIBL-HNNXBMFYSA-N 1 2 339.439 3.557 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccc(F)cc1 ZINC000661972923 1042436623 /nfs/dbraw/zinc/43/66/23/1042436623.db2.gz RMPTXOCBTLGEQE-ZIAGYGMSSA-N 1 2 345.443 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccc(F)cc1 ZINC000661972923 1042436627 /nfs/dbraw/zinc/43/66/27/1042436627.db2.gz RMPTXOCBTLGEQE-ZIAGYGMSSA-N 1 2 345.443 3.809 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996824 1042451515 /nfs/dbraw/zinc/45/15/15/1042451515.db2.gz FJIZMIPGKGLPQR-UHFFFAOYSA-N 1 2 341.480 3.596 20 0 EHADLO c1sc(-c2ccccn2)nc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996824 1042451517 /nfs/dbraw/zinc/45/15/17/1042451517.db2.gz FJIZMIPGKGLPQR-UHFFFAOYSA-N 1 2 341.480 3.596 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000652411637 1042463670 /nfs/dbraw/zinc/46/36/70/1042463670.db2.gz WAECYMWQENUOCI-WBVHZDCISA-N 1 2 346.862 3.562 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662044907 1042476460 /nfs/dbraw/zinc/47/64/60/1042476460.db2.gz WPOUBKNKWYXZHN-UHFFFAOYSA-N 1 2 341.455 3.925 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662056086 1042486954 /nfs/dbraw/zinc/48/69/54/1042486954.db2.gz PDNBMHIQNNRXNL-UHFFFAOYSA-N 1 2 327.428 3.553 20 0 EHADLO C[C@@H](CC(=O)N1CCC2(CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000652524309 1042519332 /nfs/dbraw/zinc/51/93/32/1042519332.db2.gz HFTWBGZZQSUOFZ-KRWDZBQOSA-N 1 2 337.467 3.632 20 0 EHADLO C[C@H](CBr)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000248671852 1042527930 /nfs/dbraw/zinc/52/79/30/1042527930.db2.gz BMCBCCRYBGUEIU-BXUZGUMPSA-N 1 2 332.669 3.744 20 0 EHADLO C[C@H](CBr)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000248671852 1042527933 /nfs/dbraw/zinc/52/79/33/1042527933.db2.gz BMCBCCRYBGUEIU-BXUZGUMPSA-N 1 2 332.669 3.744 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)no1 ZINC000662155769 1042549782 /nfs/dbraw/zinc/54/97/82/1042549782.db2.gz NMMRFRHBNUTOHQ-MRXNPFEDSA-N 1 2 339.361 3.994 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)no1 ZINC000662155769 1042549788 /nfs/dbraw/zinc/54/97/88/1042549788.db2.gz NMMRFRHBNUTOHQ-MRXNPFEDSA-N 1 2 339.361 3.994 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000599687278 1042561435 /nfs/dbraw/zinc/56/14/35/1042561435.db2.gz ADOJMONITOCXSP-RYUDHWBXSA-N 1 2 334.441 3.565 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@@H]2CCc3ccccc32)c1C ZINC000662197690 1042580206 /nfs/dbraw/zinc/58/02/06/1042580206.db2.gz CTABRWNQSXXLOX-KRWDZBQOSA-N 1 2 338.451 3.679 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1C ZINC000662197690 1042580212 /nfs/dbraw/zinc/58/02/12/1042580212.db2.gz CTABRWNQSXXLOX-KRWDZBQOSA-N 1 2 338.451 3.679 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000662214697 1042608667 /nfs/dbraw/zinc/60/86/67/1042608667.db2.gz JKUSEPXWPWFNNR-ZDUSSCGKSA-N 1 2 327.453 3.848 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H](CC(F)(F)F)O1 ZINC000662244812 1042632101 /nfs/dbraw/zinc/63/21/01/1042632101.db2.gz VLZVCFBQSWYKKA-IAQYHMDHSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H](CC(F)(F)F)O1 ZINC000662244812 1042632108 /nfs/dbraw/zinc/63/21/08/1042632108.db2.gz VLZVCFBQSWYKKA-IAQYHMDHSA-N 1 2 342.336 3.916 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCOc2cccc(C(F)(F)F)c2)s1 ZINC000662261949 1042640031 /nfs/dbraw/zinc/64/00/31/1042640031.db2.gz QKYBOARYZAQTBU-UHFFFAOYSA-N 1 2 345.390 3.766 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)s1 ZINC000662261949 1042640033 /nfs/dbraw/zinc/64/00/33/1042640033.db2.gz QKYBOARYZAQTBU-UHFFFAOYSA-N 1 2 345.390 3.766 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000662268284 1042645456 /nfs/dbraw/zinc/64/54/56/1042645456.db2.gz ZGFZQIKWXGGRKL-UHFFFAOYSA-N 1 2 339.483 3.624 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)CC2=CCSC2)cs1 ZINC000662271725 1042648132 /nfs/dbraw/zinc/64/81/32/1042648132.db2.gz XOFPWKPBTACLCP-UHFFFAOYSA-N 1 2 332.494 3.924 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)CC2=CCSC2)cs1 ZINC000662271725 1042648136 /nfs/dbraw/zinc/64/81/36/1042648136.db2.gz XOFPWKPBTACLCP-UHFFFAOYSA-N 1 2 332.494 3.924 20 0 EHADLO c1nnc([C@@H]([NH2+]C2CC(Sc3ccccc3)C2)c2ccccc2)[nH]1 ZINC000893560054 1042650334 /nfs/dbraw/zinc/65/03/34/1042650334.db2.gz VPKKUGFPJNKLAQ-VJFUWPCTSA-N 1 2 336.464 3.807 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662342633 1042688769 /nfs/dbraw/zinc/68/87/69/1042688769.db2.gz DSSCRLOIUIVXEX-OAQYLSRUSA-N 1 2 347.466 3.694 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573156 1042716594 /nfs/dbraw/zinc/71/65/94/1042716594.db2.gz XJYZDPWYFHXHSL-NHYWBVRUSA-N 1 2 348.244 3.528 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573156 1042716602 /nfs/dbraw/zinc/71/66/02/1042716602.db2.gz XJYZDPWYFHXHSL-NHYWBVRUSA-N 1 2 348.244 3.528 20 0 EHADLO CCOC(=O)CC1(Nc2ccc(C3CC3)c[nH+]2)Cc2ccccc2C1 ZINC001167801031 1042734410 /nfs/dbraw/zinc/73/44/10/1042734410.db2.gz GTLXOJQKQCDDLN-UHFFFAOYSA-N 1 2 336.435 3.862 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000186985831 1042737941 /nfs/dbraw/zinc/73/79/41/1042737941.db2.gz YGSKHNALZCQQJE-UHFFFAOYSA-N 1 2 330.338 3.768 20 0 EHADLO Cn1cc(C[NH+](Cc2ccco2)Cc2ccco2)c(-c2cccnc2)n1 ZINC000162561068 1042739155 /nfs/dbraw/zinc/73/91/55/1042739155.db2.gz ZRYZDDXKILWBAL-UHFFFAOYSA-N 1 2 348.406 3.871 20 0 EHADLO COC1CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663364699 1042757624 /nfs/dbraw/zinc/75/76/24/1042757624.db2.gz UWXOZPXYJLRSDD-UHFFFAOYSA-N 1 2 348.450 3.857 20 0 EHADLO CCC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000043712072 1042873415 /nfs/dbraw/zinc/87/34/15/1042873415.db2.gz DZGFPXDKJFQDRC-QGZVFWFLSA-N 1 2 326.444 3.724 20 0 EHADLO CCCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643242200 1042904984 /nfs/dbraw/zinc/90/49/84/1042904984.db2.gz UNYWCCCSXKOBOC-UHFFFAOYSA-N 1 2 341.455 3.829 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000278919870 1042950365 /nfs/dbraw/zinc/95/03/65/1042950365.db2.gz IHTKVRBFQAAVSN-BQYQJAHWSA-N 1 2 339.439 3.540 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](CO)c1ccccc1 ZINC000343961523 1042954544 /nfs/dbraw/zinc/95/45/44/1042954544.db2.gz BYCGMYZXJIELRM-SFHVURJKSA-N 1 2 344.361 3.785 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](CO)c1ccccc1 ZINC000343961523 1042954547 /nfs/dbraw/zinc/95/45/47/1042954547.db2.gz BYCGMYZXJIELRM-SFHVURJKSA-N 1 2 344.361 3.785 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028175437 1042961634 /nfs/dbraw/zinc/96/16/34/1042961634.db2.gz DBQFBPRYOYMEEG-GJZGRUSLSA-N 1 2 328.481 3.681 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000028175437 1042961639 /nfs/dbraw/zinc/96/16/39/1042961639.db2.gz DBQFBPRYOYMEEG-GJZGRUSLSA-N 1 2 328.481 3.681 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nnc(C(F)F)o2)CC1 ZINC000432335060 1042967851 /nfs/dbraw/zinc/96/78/51/1042967851.db2.gz JBDNUMZCLQOJHD-JTQLQIEISA-N 1 2 342.777 3.544 20 0 EHADLO c1nc2ccccn2c1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001203144144 1042997682 /nfs/dbraw/zinc/99/76/82/1042997682.db2.gz BWPWIZNWEKCDKK-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO c1nc2ccccn2c1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001203144144 1042997684 /nfs/dbraw/zinc/99/76/84/1042997684.db2.gz BWPWIZNWEKCDKK-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2cccc3ccccc32)[nH+]1 ZINC000007048813 1043019185 /nfs/dbraw/zinc/01/91/85/1043019185.db2.gz SGFUSIKVUORJDA-GFCCVEGCSA-N 1 2 338.436 3.640 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000278945244 1043061126 /nfs/dbraw/zinc/06/11/26/1043061126.db2.gz NVWZBULASKRXSG-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278951269 1043073711 /nfs/dbraw/zinc/07/37/11/1043073711.db2.gz MJDSMASXQRKFIZ-UHFFFAOYSA-N 1 2 339.483 3.672 20 0 EHADLO C[C@@H](c1ccco1)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000056185953 1043192871 /nfs/dbraw/zinc/19/28/71/1043192871.db2.gz BPWAAPTVKOLXND-HNNXBMFYSA-N 1 2 335.407 3.890 20 0 EHADLO O=C(c1ccc2cc[nH]c2c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279048167 1043259901 /nfs/dbraw/zinc/25/99/01/1043259901.db2.gz YPLANDUEBSPKDA-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344129822 1043299332 /nfs/dbraw/zinc/29/93/32/1043299332.db2.gz VAHZMIYZFDRYOQ-NSHDSACASA-N 1 2 345.306 3.516 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000344129822 1043299341 /nfs/dbraw/zinc/29/93/41/1043299341.db2.gz VAHZMIYZFDRYOQ-NSHDSACASA-N 1 2 345.306 3.516 20 0 EHADLO C[N@H+](Cc1noc(C2CCOCC2)n1)C1CCC(C(F)(F)F)CC1 ZINC000344149858 1043334630 /nfs/dbraw/zinc/33/46/30/1043334630.db2.gz SHQVBRQPOBVUKA-UHFFFAOYSA-N 1 2 347.381 3.517 20 0 EHADLO C[N@@H+](Cc1noc(C2CCOCC2)n1)C1CCC(C(F)(F)F)CC1 ZINC000344149858 1043334640 /nfs/dbraw/zinc/33/46/40/1043334640.db2.gz SHQVBRQPOBVUKA-UHFFFAOYSA-N 1 2 347.381 3.517 20 0 EHADLO O=C(CCCOCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000050310197 1043364608 /nfs/dbraw/zinc/36/46/08/1043364608.db2.gz MOXZZZOQWAZXQI-UHFFFAOYSA-N 1 2 335.407 3.808 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1F ZINC000038642093 1043365690 /nfs/dbraw/zinc/36/56/90/1043365690.db2.gz AUJBHHNYFAIYLM-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO CC(C)COc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000344207183 1043424560 /nfs/dbraw/zinc/42/45/60/1043424560.db2.gz IPPGEOURNCZDSX-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@H](CCO)c3ccco3)n2)c1 ZINC000893644613 1043463511 /nfs/dbraw/zinc/46/35/11/1043463511.db2.gz GDHROERMVKSAEU-OAHLLOKOSA-N 1 2 344.436 3.625 20 0 EHADLO COCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](C)c1ccccc1 ZINC000344225530 1043474461 /nfs/dbraw/zinc/47/44/61/1043474461.db2.gz NFFIYRWFVBMVRJ-QGZVFWFLSA-N 1 2 349.434 3.722 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000261436711 1043524813 /nfs/dbraw/zinc/52/48/13/1043524813.db2.gz FAWDDWKNYOXMFU-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000261436711 1043524828 /nfs/dbraw/zinc/52/48/28/1043524828.db2.gz FAWDDWKNYOXMFU-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000279230122 1043612205 /nfs/dbraw/zinc/61/22/05/1043612205.db2.gz OVVZWPXFZFNAKD-UHFFFAOYSA-N 1 2 341.333 3.707 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000344358742 1043734151 /nfs/dbraw/zinc/73/41/51/1043734151.db2.gz WFMJXRUOLNOTQN-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CCc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663714580 1043787882 /nfs/dbraw/zinc/78/78/82/1043787882.db2.gz XKUVZVZAXJOTED-QFBILLFUSA-N 1 2 347.466 3.990 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)[nH]c(C)c1C(C)=O ZINC000162826917 1043793455 /nfs/dbraw/zinc/79/34/55/1043793455.db2.gz QLYCGAUTEXZHHW-UHFFFAOYSA-N 1 2 336.395 3.731 20 0 EHADLO Cc1c(N[C@H]2CCOC(C)(C)C2)nc[nH+]c1N[C@H]1CCOC(C)(C)C1 ZINC000663744446 1043903646 /nfs/dbraw/zinc/90/36/46/1043903646.db2.gz MMEJYDAHXMZTNA-GJZGRUSLSA-N 1 2 348.491 3.524 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606692350 1043927725 /nfs/dbraw/zinc/92/77/25/1043927725.db2.gz QHPDQWJXQJXITI-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2C(C)(C)C2(C)C)C[C@H](C)O1 ZINC000344504305 1044081493 /nfs/dbraw/zinc/08/14/93/1044081493.db2.gz VKKRJTBUZNTXOV-GJZGRUSLSA-N 1 2 344.499 3.917 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC000344526494 1044100914 /nfs/dbraw/zinc/10/09/14/1044100914.db2.gz VLDRAQTVUYETSP-UHFFFAOYSA-N 1 2 349.425 3.864 20 0 EHADLO CC(C)c1cc(Br)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279459191 1044113747 /nfs/dbraw/zinc/11/37/47/1044113747.db2.gz LUTPUASUXBOHGR-UHFFFAOYSA-N 1 2 336.233 3.867 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(F)c3cccnc23)s1 ZINC000344631736 1044206691 /nfs/dbraw/zinc/20/66/91/1044206691.db2.gz QMTQIKZQMFXAKJ-UHFFFAOYSA-N 1 2 330.432 3.813 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C)c1ccco1 ZINC000344786958 1044417392 /nfs/dbraw/zinc/41/73/92/1044417392.db2.gz HGRLGWQHHCMKGD-QGZVFWFLSA-N 1 2 345.830 3.904 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000436925505 1044569884 /nfs/dbraw/zinc/56/98/84/1044569884.db2.gz GNQIVKXDOQVUBU-UHFFFAOYSA-N 1 2 343.471 3.651 20 0 EHADLO Nc1ccc2nc(N3CCC(CCCn4cc[nH+]c4)CC3)sc2c1 ZINC000663791595 1044596661 /nfs/dbraw/zinc/59/66/61/1044596661.db2.gz LEBRAUSJVTYOLQ-UHFFFAOYSA-N 1 2 341.484 3.772 20 0 EHADLO C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccs1 ZINC000051383292 1044701826 /nfs/dbraw/zinc/70/18/26/1044701826.db2.gz UMWKOBMXTMUXIM-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccs1 ZINC000051383292 1044701850 /nfs/dbraw/zinc/70/18/50/1044701850.db2.gz UMWKOBMXTMUXIM-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO C[C@H]1C[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1=O ZINC000344972574 1044757808 /nfs/dbraw/zinc/75/78/08/1044757808.db2.gz GQYGKSWRPJQENU-GJZGRUSLSA-N 1 2 349.434 3.546 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000344988771 1044783840 /nfs/dbraw/zinc/78/38/40/1044783840.db2.gz KBXNOYPIMRPRKH-UHFFFAOYSA-N 1 2 328.481 3.659 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1cccc(Oc2ccccc2)c1 ZINC000620409922 1125568909 /nfs/dbraw/zinc/56/89/09/1125568909.db2.gz JVPFYRSINRKEDF-UHFFFAOYSA-N 1 2 335.407 3.772 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(Nc2ccccc2)cn1 ZINC000620496678 1125582859 /nfs/dbraw/zinc/58/28/59/1125582859.db2.gz ZUTJGWFIDOYNOU-UHFFFAOYSA-N 1 2 347.422 3.539 20 0 EHADLO Cc1oc2nc(C[N@H+](Cc3cccs3)C3CC3)nc(N)c2c1C ZINC000154263955 1125707189 /nfs/dbraw/zinc/70/71/89/1125707189.db2.gz NRJYNYQRIXWPKB-UHFFFAOYSA-N 1 2 328.441 3.648 20 0 EHADLO Cc1oc2nc(C[N@@H+](Cc3cccs3)C3CC3)nc(N)c2c1C ZINC000154263955 1125707193 /nfs/dbraw/zinc/70/71/93/1125707193.db2.gz NRJYNYQRIXWPKB-UHFFFAOYSA-N 1 2 328.441 3.648 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2ccccc2)s1 ZINC000155062181 1125781657 /nfs/dbraw/zinc/78/16/57/1125781657.db2.gz IKYNHLBITFIWMB-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2ccccc2)s1 ZINC000155062181 1125781662 /nfs/dbraw/zinc/78/16/62/1125781662.db2.gz IKYNHLBITFIWMB-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155074037 1125783333 /nfs/dbraw/zinc/78/33/33/1125783333.db2.gz GLKPQWZUYFYLRI-SFHVURJKSA-N 1 2 345.512 3.690 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000622493348 1126710303 /nfs/dbraw/zinc/71/03/03/1126710303.db2.gz VOZYDMYBNXJETP-NEPJUHHUSA-N 1 2 346.500 3.835 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000622493348 1126710305 /nfs/dbraw/zinc/71/03/05/1126710305.db2.gz VOZYDMYBNXJETP-NEPJUHHUSA-N 1 2 346.500 3.835 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973690 1126730087 /nfs/dbraw/zinc/73/00/87/1126730087.db2.gz UZLCFICIPCXEOU-CZUORRHYSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973690 1126730091 /nfs/dbraw/zinc/73/00/91/1126730091.db2.gz UZLCFICIPCXEOU-CZUORRHYSA-N 1 2 343.500 3.889 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514197 1126741841 /nfs/dbraw/zinc/74/18/41/1126741841.db2.gz ZXACKQPUKKQCCC-UKRRQHHQSA-N 1 2 343.471 3.552 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514197 1126741845 /nfs/dbraw/zinc/74/18/45/1126741845.db2.gz ZXACKQPUKKQCCC-UKRRQHHQSA-N 1 2 343.471 3.552 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000172169534 1126783086 /nfs/dbraw/zinc/78/30/86/1126783086.db2.gz NMMSJDNXXYSKNQ-INIZCTEOSA-N 1 2 326.440 3.853 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000172169534 1126783091 /nfs/dbraw/zinc/78/30/91/1126783091.db2.gz NMMSJDNXXYSKNQ-INIZCTEOSA-N 1 2 326.440 3.853 20 0 EHADLO Cc1cc(NCc2ccsc2Br)nc(C(C)C)[nH+]1 ZINC000337821980 1126828144 /nfs/dbraw/zinc/82/81/44/1126828144.db2.gz RHUQDCKBXXBKBA-UHFFFAOYSA-N 1 2 326.263 3.766 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@H](C)c1ccccc1OC ZINC000623253587 1126902804 /nfs/dbraw/zinc/90/28/04/1126902804.db2.gz OQENWCMYAJKBBQ-MRXNPFEDSA-N 1 2 329.444 3.672 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)CCCn3cc[nH+]c3)c2)cs1 ZINC000623245813 1126905008 /nfs/dbraw/zinc/90/50/08/1126905008.db2.gz CNYIYSZXCWRXAT-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001238263364 1126926684 /nfs/dbraw/zinc/92/66/84/1126926684.db2.gz OJRXKJBKADVOLA-LBPRGKRZSA-N 1 2 328.161 3.801 20 0 EHADLO Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001238263364 1126926686 /nfs/dbraw/zinc/92/66/86/1126926686.db2.gz OJRXKJBKADVOLA-LBPRGKRZSA-N 1 2 328.161 3.801 20 0 EHADLO Cc1ccc([C@@H](NC(=O)NCc2c[nH+]c(C)cc2C)C(F)(F)F)o1 ZINC000654244545 1126950876 /nfs/dbraw/zinc/95/08/76/1126950876.db2.gz DXPNVLUOOIUUDF-CQSZACIVSA-N 1 2 341.333 3.703 20 0 EHADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682277 1126987224 /nfs/dbraw/zinc/98/72/24/1126987224.db2.gz DTJVGMGSJNCCNS-HOTGVXAUSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682277 1126987227 /nfs/dbraw/zinc/98/72/27/1126987227.db2.gz DTJVGMGSJNCCNS-HOTGVXAUSA-N 1 2 347.480 3.732 20 0 EHADLO Cc1oc2nc(C[NH2+]C3(c4cccc(Cl)c4)CC3)nc(N)c2c1C ZINC000179667462 1127079273 /nfs/dbraw/zinc/07/92/73/1127079273.db2.gz UAVDCXURFMYRBT-UHFFFAOYSA-N 1 2 342.830 3.854 20 0 EHADLO c1cn(Cc2ccc(-c3nc(C4CCSCC4)no3)cc2)c[nH+]1 ZINC000350899005 1127115607 /nfs/dbraw/zinc/11/56/07/1127115607.db2.gz XCLLNHMRCWFECE-UHFFFAOYSA-N 1 2 326.425 3.592 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000351085872 1127139966 /nfs/dbraw/zinc/13/99/66/1127139966.db2.gz GFKVBJKJFFMEBK-QWHCGFSZSA-N 1 2 348.328 3.684 20 0 EHADLO c1cn2c(C[N@@H+]3CCOC4(CCCCC4)C3)c(C3CC3)nc2s1 ZINC000180457864 1127157468 /nfs/dbraw/zinc/15/74/68/1127157468.db2.gz GNIHNHVGFVORTB-UHFFFAOYSA-N 1 2 331.485 3.808 20 0 EHADLO c1cn2c(C[N@H+]3CCOC4(CCCCC4)C3)c(C3CC3)nc2s1 ZINC000180457864 1127157471 /nfs/dbraw/zinc/15/74/71/1127157471.db2.gz GNIHNHVGFVORTB-UHFFFAOYSA-N 1 2 331.485 3.808 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180501658 1127166734 /nfs/dbraw/zinc/16/67/34/1127166734.db2.gz APOSMVYUFCYRDM-UHFFFAOYSA-N 1 2 331.341 3.988 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180501658 1127166736 /nfs/dbraw/zinc/16/67/36/1127166736.db2.gz APOSMVYUFCYRDM-UHFFFAOYSA-N 1 2 331.341 3.988 20 0 EHADLO CC(C)Cn1nccc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351344954 1127172927 /nfs/dbraw/zinc/17/29/27/1127172927.db2.gz YRHHTBHEWVTBIN-UHFFFAOYSA-N 1 2 348.410 3.501 20 0 EHADLO c1ccc(CN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C2CC2)nc1 ZINC000623810865 1127188581 /nfs/dbraw/zinc/18/85/81/1127188581.db2.gz MVBREBCIUBXZID-UHFFFAOYSA-N 1 2 343.434 3.561 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(OC3CCCC3)CC1)nc1ccccc12 ZINC000623914317 1127214191 /nfs/dbraw/zinc/21/41/91/1127214191.db2.gz UUJAFBURTQVYKG-UHFFFAOYSA-N 1 2 336.439 3.811 20 0 EHADLO C[C@H]1CCN(c2cnc3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000624035092 1127237942 /nfs/dbraw/zinc/23/79/42/1127237942.db2.gz JMINHAJVZWUCAH-LRDDRELGSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121248 1127256046 /nfs/dbraw/zinc/25/60/46/1127256046.db2.gz RFMQMOUFTQTEHI-SJLPKXTDSA-N 1 2 326.488 3.563 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121248 1127256047 /nfs/dbraw/zinc/25/60/47/1127256047.db2.gz RFMQMOUFTQTEHI-SJLPKXTDSA-N 1 2 326.488 3.563 20 0 EHADLO Cc1cccc(C)c1CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000181477339 1127278317 /nfs/dbraw/zinc/27/83/17/1127278317.db2.gz RQBXSLTUJVKXMN-QGZVFWFLSA-N 1 2 333.435 3.909 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000181762472 1127295265 /nfs/dbraw/zinc/29/52/65/1127295265.db2.gz GEERFHSXYGMYTJ-QGZVFWFLSA-N 1 2 342.487 3.968 20 0 EHADLO COCCc1ccc2oc(NCc3c[nH+]c4ccc(C)cn34)nc2c1 ZINC000181868140 1127300291 /nfs/dbraw/zinc/30/02/91/1127300291.db2.gz KTMZMIDYCABIDJ-UHFFFAOYSA-N 1 2 336.395 3.585 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ncc(-c3ccccc3F)o2)cc1 ZINC000181973782 1127305741 /nfs/dbraw/zinc/30/57/41/1127305741.db2.gz ZXPODNUODFZHNP-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ncc(-c3ccccc3F)o2)cc1 ZINC000181973782 1127305746 /nfs/dbraw/zinc/30/57/46/1127305746.db2.gz ZXPODNUODFZHNP-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Fc1ccccc1Cc1nnc(NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000181977328 1127306522 /nfs/dbraw/zinc/30/65/22/1127306522.db2.gz BEOKKYINVAQBDP-UHFFFAOYSA-N 1 2 349.369 3.597 20 0 EHADLO COCCc1ccc2oc(NCc3ccc(-n4cc[nH+]c4)cc3)nc2c1 ZINC000181985426 1127306829 /nfs/dbraw/zinc/30/68/29/1127306829.db2.gz ZHQIHLXVKIFWQP-UHFFFAOYSA-N 1 2 348.406 3.815 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)[C@H](COC)Cc2ccccc2)n1 ZINC000182044544 1127309270 /nfs/dbraw/zinc/30/92/70/1127309270.db2.gz JKJBTOMLIDWKEL-HOCLYGCPSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)[C@H](COC)Cc2ccccc2)n1 ZINC000182044544 1127309272 /nfs/dbraw/zinc/30/92/72/1127309272.db2.gz JKJBTOMLIDWKEL-HOCLYGCPSA-N 1 2 349.500 3.573 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000182289507 1127321631 /nfs/dbraw/zinc/32/16/31/1127321631.db2.gz IYXLXNGCQDAXGG-NWDGAFQWSA-N 1 2 334.441 3.820 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000182289491 1127321756 /nfs/dbraw/zinc/32/17/56/1127321756.db2.gz IYXLXNGCQDAXGG-RYUDHWBXSA-N 1 2 334.441 3.820 20 0 EHADLO Fc1ccc(CCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1F ZINC000183195241 1127366759 /nfs/dbraw/zinc/36/67/59/1127366759.db2.gz XAZPRXPAJNKCOQ-UHFFFAOYSA-N 1 2 327.256 3.971 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000184245248 1127399196 /nfs/dbraw/zinc/39/91/96/1127399196.db2.gz LSKNTICWJOQRNF-GOSISDBHSA-N 1 2 327.472 3.541 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000184245248 1127399201 /nfs/dbraw/zinc/39/92/01/1127399201.db2.gz LSKNTICWJOQRNF-GOSISDBHSA-N 1 2 327.472 3.541 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184471069 1127405196 /nfs/dbraw/zinc/40/51/96/1127405196.db2.gz QNPRLNIRKNNOEG-ZDUSSCGKSA-N 1 2 337.533 3.882 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184473771 1127406021 /nfs/dbraw/zinc/40/60/21/1127406021.db2.gz AYCXAMXHLZNPRH-ZIAGYGMSSA-N 1 2 345.512 3.969 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000184503285 1127407339 /nfs/dbraw/zinc/40/73/39/1127407339.db2.gz QGOPJBFXFIVJLK-LBPRGKRZSA-N 1 2 349.475 3.547 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](CC)C(=O)Nc2ccc(OC)cc2)cs1 ZINC000184703843 1127412009 /nfs/dbraw/zinc/41/20/09/1127412009.db2.gz VYMNUEYKANUUPP-SWLSCSKDSA-N 1 2 347.484 3.782 20 0 EHADLO c1c[nH]c([C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc2)n1 ZINC000185208801 1127422249 /nfs/dbraw/zinc/42/22/49/1127422249.db2.gz IKOVCJRLWOYFIQ-FQEVSTJZSA-N 1 2 347.466 3.674 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)s1 ZINC000185012600 1127418114 /nfs/dbraw/zinc/41/81/14/1127418114.db2.gz FCSSKDSHKIVULG-CYBMUJFWSA-N 1 2 325.437 3.894 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)c1nccs1 ZINC000185105710 1127420844 /nfs/dbraw/zinc/42/08/44/1127420844.db2.gz ZRMTYMIPXLKQTE-OAHLLOKOSA-N 1 2 331.485 3.947 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185334616 1127424919 /nfs/dbraw/zinc/42/49/19/1127424919.db2.gz QYPRFVUETIOISN-OAHLLOKOSA-N 1 2 334.441 3.634 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c(F)c1 ZINC000185338660 1127425103 /nfs/dbraw/zinc/42/51/03/1127425103.db2.gz IHOFOEVCCAERCV-HNNXBMFYSA-N 1 2 334.416 3.618 20 0 EHADLO CCCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000654465147 1127452935 /nfs/dbraw/zinc/45/29/35/1127452935.db2.gz MMWRZUQJTKLREC-QGZVFWFLSA-N 1 2 328.460 3.534 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194198132 1127454586 /nfs/dbraw/zinc/45/45/86/1127454586.db2.gz DVNHCGMRRAFHTE-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194198132 1127454590 /nfs/dbraw/zinc/45/45/90/1127454590.db2.gz DVNHCGMRRAFHTE-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195674541 1127481793 /nfs/dbraw/zinc/48/17/93/1127481793.db2.gz LFBOQOOANVXEOU-QWHCGFSZSA-N 1 2 346.368 3.619 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195674541 1127481795 /nfs/dbraw/zinc/48/17/95/1127481795.db2.gz LFBOQOOANVXEOU-QWHCGFSZSA-N 1 2 346.368 3.619 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000764629551 1127516168 /nfs/dbraw/zinc/51/61/68/1127516168.db2.gz VDPIAAHXIFXSNC-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO c1c2ccccc2[nH]c1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000764802086 1127535279 /nfs/dbraw/zinc/53/52/79/1127535279.db2.gz YGGOBXPTENITID-UHFFFAOYSA-N 1 2 347.466 3.942 20 0 EHADLO c1c2ccccc2[nH]c1C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000764802086 1127535281 /nfs/dbraw/zinc/53/52/81/1127535281.db2.gz YGGOBXPTENITID-UHFFFAOYSA-N 1 2 347.466 3.942 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccc(Cl)c2)n(C)c1=S ZINC000765032311 1127565058 /nfs/dbraw/zinc/56/50/58/1127565058.db2.gz UPTTXUQIBUMCDN-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccc(Cl)c2)n(C)c1=S ZINC000765032311 1127565060 /nfs/dbraw/zinc/56/50/60/1127565060.db2.gz UPTTXUQIBUMCDN-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765035257 1127565446 /nfs/dbraw/zinc/56/54/46/1127565446.db2.gz DFDQTMHRVAIJIT-KRWDZBQOSA-N 1 2 338.455 3.826 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765048962 1127567103 /nfs/dbraw/zinc/56/71/03/1127567103.db2.gz OACKVXPTAPZEOB-CHWSQXEVSA-N 1 2 334.464 3.785 20 0 EHADLO CCSCc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000749987781 1127569297 /nfs/dbraw/zinc/56/92/97/1127569297.db2.gz WVGABXHRSXEZDX-UHFFFAOYSA-N 1 2 329.469 3.961 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000011200582 1127636672 /nfs/dbraw/zinc/63/66/72/1127636672.db2.gz NZQVYCWGWXCTKC-NRFANRHFSA-N 1 2 340.467 3.641 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000011200582 1127636674 /nfs/dbraw/zinc/63/66/74/1127636674.db2.gz NZQVYCWGWXCTKC-NRFANRHFSA-N 1 2 340.467 3.641 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000016420690 1127662234 /nfs/dbraw/zinc/66/22/34/1127662234.db2.gz JOPOAAPUHGOXKH-AWEZNQCLSA-N 1 2 326.465 3.647 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000016420690 1127662238 /nfs/dbraw/zinc/66/22/38/1127662238.db2.gz JOPOAAPUHGOXKH-AWEZNQCLSA-N 1 2 326.465 3.647 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000016377735 1127662372 /nfs/dbraw/zinc/66/23/72/1127662372.db2.gz VPJOMYQHRYHJPX-NSHDSACASA-N 1 2 332.391 3.621 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000016377735 1127662373 /nfs/dbraw/zinc/66/23/73/1127662373.db2.gz VPJOMYQHRYHJPX-NSHDSACASA-N 1 2 332.391 3.621 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F ZINC000017289683 1127667539 /nfs/dbraw/zinc/66/75/39/1127667539.db2.gz BKVGPOWVEYWWIS-KZULUSFZSA-N 1 2 330.378 3.635 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(F)(F)c1ccccc1F ZINC000765639687 1127716647 /nfs/dbraw/zinc/71/66/47/1127716647.db2.gz BQKQUPTWGABMBL-UHFFFAOYSA-N 1 2 331.297 3.742 20 0 EHADLO CN(C)c1ccc(NCc2c(F)ccc(Br)c2F)c[nH+]1 ZINC000387147626 1127727968 /nfs/dbraw/zinc/72/79/68/1127727968.db2.gz XGPVSRWZIOQSOP-UHFFFAOYSA-N 1 2 342.187 3.800 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027474268 1127736743 /nfs/dbraw/zinc/73/67/43/1127736743.db2.gz ATIAIEJWPPRNBG-HNNXBMFYSA-N 1 2 340.492 3.515 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027474268 1127736748 /nfs/dbraw/zinc/73/67/48/1127736748.db2.gz ATIAIEJWPPRNBG-HNNXBMFYSA-N 1 2 340.492 3.515 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H]1C ZINC001127940660 1127740635 /nfs/dbraw/zinc/74/06/35/1127740635.db2.gz FVWAGYHCBFHAQJ-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO Cn1ccc(-c2nc(CNc3ccc([NH+]4CCCC4)cc3)cs2)n1 ZINC000921569409 1127753422 /nfs/dbraw/zinc/75/34/22/1127753422.db2.gz PUPRMFGVTFCRNM-UHFFFAOYSA-N 1 2 339.468 3.756 20 0 EHADLO CC(C)(C)c1coc(CNc2ccc([NH+]3CCC(O)CC3)cc2)n1 ZINC000921569197 1127753819 /nfs/dbraw/zinc/75/38/19/1127753819.db2.gz ZYJVZRGADAKRQE-UHFFFAOYSA-N 1 2 329.444 3.545 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(F)cc1Br ZINC000921582332 1127756515 /nfs/dbraw/zinc/75/65/15/1127756515.db2.gz DWUVAVOFWPVYSC-UHFFFAOYSA-N 1 2 346.631 3.817 20 0 EHADLO C[N@H+](Cc1ccc2ccccc2c1)Cc1nc(N)c2ccccc2n1 ZINC000027359647 1127779809 /nfs/dbraw/zinc/77/98/09/1127779809.db2.gz NKRYPPHJUNHERH-UHFFFAOYSA-N 1 2 328.419 3.997 20 0 EHADLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1nc(N)c2ccccc2n1 ZINC000027359647 1127779812 /nfs/dbraw/zinc/77/98/12/1127779812.db2.gz NKRYPPHJUNHERH-UHFFFAOYSA-N 1 2 328.419 3.997 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1nccn1C ZINC000624289195 1127785000 /nfs/dbraw/zinc/78/50/00/1127785000.db2.gz HBEWLXURIZLQLQ-QMTHXVAHSA-N 1 2 328.243 3.501 20 0 EHADLO Clc1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000029344724 1127799471 /nfs/dbraw/zinc/79/94/71/1127799471.db2.gz LNSIAQZFNXYDJT-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338552060 1127802493 /nfs/dbraw/zinc/80/24/93/1127802493.db2.gz NPLCGGQOTWPLOR-PMACEKPBSA-N 1 2 345.446 3.855 20 0 EHADLO COc1ccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000031259808 1127831969 /nfs/dbraw/zinc/83/19/69/1127831969.db2.gz KFJKLINJRGJPOF-FQEVSTJZSA-N 1 2 347.418 3.762 20 0 EHADLO CCOP(=O)(OCC)c1ccc(Nc2ccc(NC)[nH+]c2)cc1 ZINC001203458924 1127871415 /nfs/dbraw/zinc/87/14/15/1127871415.db2.gz BLMKWCOBMGDFSF-UHFFFAOYSA-N 1 2 335.344 3.758 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)C2CCCC2)C[C@H](C)O1 ZINC000172293563 1127874546 /nfs/dbraw/zinc/87/45/46/1127874546.db2.gz CTQYROFZZFMOLE-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)C2CCCC2)C[C@H](C)O1 ZINC000172293563 1127874551 /nfs/dbraw/zinc/87/45/51/1127874551.db2.gz CTQYROFZZFMOLE-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000041178748 1127873813 /nfs/dbraw/zinc/87/38/13/1127873813.db2.gz LXKLBRIYNOSUFU-NVXWUHKLSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000041625901 1127876921 /nfs/dbraw/zinc/87/69/21/1127876921.db2.gz SZCFCEVCWSUTSE-DZGCQCFKSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000041625901 1127876924 /nfs/dbraw/zinc/87/69/24/1127876924.db2.gz SZCFCEVCWSUTSE-DZGCQCFKSA-N 1 2 325.441 3.622 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(F)cc1F ZINC000042309342 1127889537 /nfs/dbraw/zinc/88/95/37/1127889537.db2.gz GAJUDDFWYLLMLC-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000042532725 1127893138 /nfs/dbraw/zinc/89/31/38/1127893138.db2.gz NEUSCLCNZYVMAK-QGZVFWFLSA-N 1 2 333.435 3.610 20 0 EHADLO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccccc1 ZINC000042623559 1127895165 /nfs/dbraw/zinc/89/51/65/1127895165.db2.gz ROCJZTPWLSJGDB-UHFFFAOYSA-N 1 2 341.386 3.810 20 0 EHADLO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccccc1 ZINC000042623559 1127895172 /nfs/dbraw/zinc/89/51/72/1127895172.db2.gz ROCJZTPWLSJGDB-UHFFFAOYSA-N 1 2 341.386 3.810 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)CC3CCCCC3)cn2c1 ZINC000042752201 1127900018 /nfs/dbraw/zinc/90/00/18/1127900018.db2.gz JWPIOXWFWONWLQ-UHFFFAOYSA-N 1 2 345.512 3.915 20 0 EHADLO C[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000043305944 1127917663 /nfs/dbraw/zinc/91/76/63/1127917663.db2.gz NJGUWWHBVLREEA-KRWDZBQOSA-N 1 2 348.450 3.534 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043357167 1127918812 /nfs/dbraw/zinc/91/88/12/1127918812.db2.gz MHSLIYDNWRMCOH-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000043390492 1127919357 /nfs/dbraw/zinc/91/93/57/1127919357.db2.gz ROOBDDQEFCJJQB-UHFFFAOYSA-N 1 2 341.480 3.587 20 0 EHADLO O=C(NCc1ccc(F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517884 1127921708 /nfs/dbraw/zinc/92/17/08/1127921708.db2.gz QJCSWTVDGIPCKZ-UHFFFAOYSA-N 1 2 348.447 3.590 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438642 1127937263 /nfs/dbraw/zinc/93/72/63/1127937263.db2.gz FSMRBYBURCVXQW-CYBMUJFWSA-N 1 2 348.393 3.741 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438642 1127937267 /nfs/dbraw/zinc/93/72/67/1127937267.db2.gz FSMRBYBURCVXQW-CYBMUJFWSA-N 1 2 348.393 3.741 20 0 EHADLO Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(Br)c1 ZINC001212358391 1127959338 /nfs/dbraw/zinc/95/93/38/1127959338.db2.gz IXAKQDXCZVCBBP-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO COc1ccc(C(C)(C)C)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358724 1127964634 /nfs/dbraw/zinc/96/46/34/1127964634.db2.gz ZEGUAXWXGSRCLG-UHFFFAOYSA-N 1 2 341.455 3.968 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccccc2Cl)c1C ZINC000046056734 1127967828 /nfs/dbraw/zinc/96/78/28/1127967828.db2.gz UNIGTNMCRGCMIR-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccccc2Cl)c1C ZINC000046056734 1127967830 /nfs/dbraw/zinc/96/78/30/1127967830.db2.gz UNIGTNMCRGCMIR-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO CC1(C)Oc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2O1 ZINC000046097047 1127969125 /nfs/dbraw/zinc/96/91/25/1127969125.db2.gz XRYVAJSMSJSPGY-UHFFFAOYSA-N 1 2 349.390 3.691 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240172 1128004118 /nfs/dbraw/zinc/00/41/18/1128004118.db2.gz ATSJQAWOCCGZMA-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(OCCC(C)C)CC3)ccc2[nH+]1 ZINC000265691389 1128008282 /nfs/dbraw/zinc/00/82/82/1128008282.db2.gz FOLYLMUIAUDGOZ-UHFFFAOYSA-N 1 2 344.459 3.702 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1F ZINC001670904799 1128012524 /nfs/dbraw/zinc/01/25/24/1128012524.db2.gz YVLAAYUAFIFRQF-UHFFFAOYSA-N 1 2 342.823 3.870 20 0 EHADLO O=C(Cc1cccc2cccnc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866783 1128030826 /nfs/dbraw/zinc/03/08/26/1128030826.db2.gz QYZHRGSEUMYRKT-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000057372956 1128045926 /nfs/dbraw/zinc/04/59/26/1128045926.db2.gz NIUDIUAUJXOCSK-GOSISDBHSA-N 1 2 326.444 3.518 20 0 EHADLO CCN(CC)C(=O)C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000058524111 1128071433 /nfs/dbraw/zinc/07/14/33/1128071433.db2.gz MCJIHZOVKYYWQO-UHFFFAOYSA-N 1 2 349.544 3.881 20 0 EHADLO COc1cc(C)ccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058636257 1128074881 /nfs/dbraw/zinc/07/48/81/1128074881.db2.gz GQIPIXKVLKOIRD-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2C2CC2)c1C ZINC000058958558 1128086458 /nfs/dbraw/zinc/08/64/58/1128086458.db2.gz ACZIDGHNPVJOHS-UHFFFAOYSA-N 1 2 330.453 3.918 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000060614061 1128110301 /nfs/dbraw/zinc/11/03/01/1128110301.db2.gz IQRJVLMQPNPOEM-FQEVSTJZSA-N 1 2 331.419 3.909 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1C ZINC000139946794 1128133953 /nfs/dbraw/zinc/13/39/53/1128133953.db2.gz LIZTULJUDGIQIZ-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1C ZINC000139946794 1128133954 /nfs/dbraw/zinc/13/39/54/1128133954.db2.gz LIZTULJUDGIQIZ-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO CC(=O)c1c(F)cccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254635 1128140672 /nfs/dbraw/zinc/14/06/72/1128140672.db2.gz ZDALSXCKEZWUGN-UHFFFAOYSA-N 1 2 327.334 3.965 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000063704366 1128152289 /nfs/dbraw/zinc/15/22/89/1128152289.db2.gz BGEWSXKHWROFEK-INIZCTEOSA-N 1 2 341.455 3.509 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cc2c(s1)CCCCCC2 ZINC000063707684 1128152959 /nfs/dbraw/zinc/15/29/59/1128152959.db2.gz OFPHTENWFGBANE-UHFFFAOYSA-N 1 2 329.469 3.644 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)s1 ZINC000029668589 1128159763 /nfs/dbraw/zinc/15/97/63/1128159763.db2.gz BGUMQDIIGXKMIV-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2ccc(F)cc2)CCCCC1 ZINC000065587439 1128195278 /nfs/dbraw/zinc/19/52/78/1128195278.db2.gz WJFXQUQGPCPSGD-UHFFFAOYSA-N 1 2 339.418 3.816 20 0 EHADLO Cc1ccc(CSCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068421448 1128266120 /nfs/dbraw/zinc/26/61/20/1128266120.db2.gz RSJPOLCLZQIBFO-UHFFFAOYSA-N 1 2 343.496 3.632 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)NCC(C)C)c2)no1 ZINC000066829079 1128228625 /nfs/dbraw/zinc/22/86/25/1128228625.db2.gz NDNFKCXOTNISPI-IBGZPJMESA-N 1 2 341.455 3.706 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)NCC(C)C)c2)no1 ZINC000066829079 1128228627 /nfs/dbraw/zinc/22/86/27/1128228627.db2.gz NDNFKCXOTNISPI-IBGZPJMESA-N 1 2 341.455 3.706 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH+]c12 ZINC000671757240 1128236074 /nfs/dbraw/zinc/23/60/74/1128236074.db2.gz DZXHHFWIYDCAQY-NZSAHSFTSA-N 1 2 339.483 3.908 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401190 1128240496 /nfs/dbraw/zinc/24/04/96/1128240496.db2.gz FXNQNTONXZFMHI-KRWDZBQOSA-N 1 2 349.862 3.792 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069364096 1128286803 /nfs/dbraw/zinc/28/68/03/1128286803.db2.gz NJTZYLOPKHLQSP-WBVHZDCISA-N 1 2 332.492 3.624 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000071070305 1128298035 /nfs/dbraw/zinc/29/80/35/1128298035.db2.gz OEVNEVHVSXDRKH-UHFFFAOYSA-N 1 2 347.724 3.506 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000073012916 1128313389 /nfs/dbraw/zinc/31/33/89/1128313389.db2.gz HFWGAWYDXIHQIK-INIZCTEOSA-N 1 2 335.407 3.916 20 0 EHADLO CCO[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1=CCCC1 ZINC000073059919 1128315112 /nfs/dbraw/zinc/31/51/12/1128315112.db2.gz KPPALPUIHLBUAT-KRWDZBQOSA-N 1 2 325.412 3.921 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000127296805 1128400082 /nfs/dbraw/zinc/40/00/82/1128400082.db2.gz UBSLUTTVBKUWEH-KXBFYZLASA-N 1 2 338.455 3.877 20 0 EHADLO C[C@@H](CSc1ccccc1)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001670977285 1128404007 /nfs/dbraw/zinc/40/40/07/1128404007.db2.gz MHEXLNXUJHFWKF-AWEZNQCLSA-N 1 2 340.452 3.979 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)no1 ZINC000074144173 1128335788 /nfs/dbraw/zinc/33/57/88/1128335788.db2.gz PKLGCUZKGAQUDW-CQSZACIVSA-N 1 2 348.406 3.532 20 0 EHADLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921659006 1128439137 /nfs/dbraw/zinc/43/91/37/1128439137.db2.gz GUZVYMZUCXDZOT-SJORKVTESA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3(c4cccnc4)CC3)cc2)[nH+]c1C ZINC000921659627 1128439252 /nfs/dbraw/zinc/43/92/52/1128439252.db2.gz OICAKLHLBAIMIO-UHFFFAOYSA-N 1 2 332.407 3.759 20 0 EHADLO C[C@H](CNC(=O)CCCc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000473869641 1128459912 /nfs/dbraw/zinc/45/99/12/1128459912.db2.gz TYDNSTNQDCGIIK-QGZVFWFLSA-N 1 2 341.499 3.956 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000655165043 1128473108 /nfs/dbraw/zinc/47/31/08/1128473108.db2.gz WQIFSEUMLXBGRY-AUUYWEPGSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000655165043 1128473110 /nfs/dbraw/zinc/47/31/10/1128473110.db2.gz WQIFSEUMLXBGRY-AUUYWEPGSA-N 1 2 345.874 3.866 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000054546830 1128478957 /nfs/dbraw/zinc/47/89/57/1128478957.db2.gz DGQLSAWOPLCPDH-MRXNPFEDSA-N 1 2 332.448 3.553 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000054546830 1128478959 /nfs/dbraw/zinc/47/89/59/1128478959.db2.gz DGQLSAWOPLCPDH-MRXNPFEDSA-N 1 2 332.448 3.553 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168628483 1128484788 /nfs/dbraw/zinc/48/47/88/1128484788.db2.gz FLAXRXADWQFPQT-WDSOQIARSA-N 1 2 349.471 3.627 20 0 EHADLO OCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000347637813 1128502600 /nfs/dbraw/zinc/50/26/00/1128502600.db2.gz IKYTTXVJRBVARJ-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2coc(C3CC3)n2)no1)c1cccc(Cl)c1 ZINC000624722278 1128498492 /nfs/dbraw/zinc/49/84/92/1128498492.db2.gz ZBJSKNZSNQATFY-AWEZNQCLSA-N 1 2 344.802 3.906 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCCC(F)(F)C1 ZINC000282292471 1128512045 /nfs/dbraw/zinc/51/20/45/1128512045.db2.gz WLOMUNRVMXCGTE-CQSZACIVSA-N 1 2 349.381 3.726 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)cn2c1 ZINC000542680576 1128533133 /nfs/dbraw/zinc/53/31/33/1128533133.db2.gz BOCSYFRJNYHISU-OWCLPIDISA-N 1 2 345.512 3.817 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N1CCCCCC1 ZINC000107396928 1128537217 /nfs/dbraw/zinc/53/72/17/1128537217.db2.gz FMYKSRIQARIESF-UHFFFAOYSA-N 1 2 330.476 3.548 20 0 EHADLO CCCC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000347658610 1128542000 /nfs/dbraw/zinc/54/20/00/1128542000.db2.gz JCCBGGNOHVDNFH-UHFFFAOYSA-N 1 2 336.505 3.831 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001168641762 1128565931 /nfs/dbraw/zinc/56/59/31/1128565931.db2.gz BJGDILNQOXWLGL-QKKBWIMNSA-N 1 2 343.279 3.598 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@@H]1CCNc2ccccc21 ZINC001168642201 1128572840 /nfs/dbraw/zinc/57/28/40/1128572840.db2.gz WZCZJVQMMBWPLY-QGZVFWFLSA-N 1 2 339.439 3.935 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1c1ccccc1Cl ZINC000057372942 1128633472 /nfs/dbraw/zinc/63/34/72/1128633472.db2.gz MPMZHWHOYGKGSL-KRWDZBQOSA-N 1 2 346.862 3.863 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785449258 1128639356 /nfs/dbraw/zinc/63/93/56/1128639356.db2.gz UNAYBHWNPKPFJV-LBPRGKRZSA-N 1 2 328.403 3.700 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785449258 1128639358 /nfs/dbraw/zinc/63/93/58/1128639358.db2.gz UNAYBHWNPKPFJV-LBPRGKRZSA-N 1 2 328.403 3.700 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)s1 ZINC000542811225 1128656447 /nfs/dbraw/zinc/65/64/47/1128656447.db2.gz YQFTWCXXZOAAOE-VIFPVBQESA-N 1 2 331.470 3.524 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000172590317 1128677931 /nfs/dbraw/zinc/67/79/31/1128677931.db2.gz IAFBWVCTPWEJHG-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000172590317 1128677934 /nfs/dbraw/zinc/67/79/34/1128677934.db2.gz IAFBWVCTPWEJHG-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3cccc(Cl)c3)no2)ccn1 ZINC000347665868 1128730239 /nfs/dbraw/zinc/73/02/39/1128730239.db2.gz FRLBGOUVLDUFAA-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265749411 1128763832 /nfs/dbraw/zinc/76/38/32/1128763832.db2.gz YEOXZVMFFGHCGQ-FQEVSTJZSA-N 1 2 348.450 3.940 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c(OC)c1OC ZINC001203469323 1128798157 /nfs/dbraw/zinc/79/81/57/1128798157.db2.gz CHLFICVIAYPYFW-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)c(OC)c1OC ZINC001203469323 1128798160 /nfs/dbraw/zinc/79/81/60/1128798160.db2.gz CHLFICVIAYPYFW-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CCC(CC)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000672147881 1128799871 /nfs/dbraw/zinc/79/98/71/1128799871.db2.gz YDHRVUOKECYSCX-MRXNPFEDSA-N 1 2 345.874 3.726 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672151065 1128805637 /nfs/dbraw/zinc/80/56/37/1128805637.db2.gz VATHVVCXECKAFA-YJBOKZPZSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000542908940 1128830652 /nfs/dbraw/zinc/83/06/52/1128830652.db2.gz HRTJVBUFGMYVPO-SFHVURJKSA-N 1 2 326.371 3.612 20 0 EHADLO Cc1[nH]nc(NC(=O)CCCn2cc[nH+]c2)c1-c1cccc(Cl)c1 ZINC000076783968 1120030469 /nfs/dbraw/zinc/03/04/69/1120030469.db2.gz HGTXGGRIMQBXDN-UHFFFAOYSA-N 1 2 343.818 3.654 20 0 EHADLO Brc1ccc(-n2cc(CNc3cccc[nH+]3)cn2)cc1 ZINC001648856165 1120055509 /nfs/dbraw/zinc/05/55/09/1120055509.db2.gz VWIYMVJMGKICEG-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO C[C@@H](C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C1CCC1 ZINC001648894550 1120062012 /nfs/dbraw/zinc/06/20/12/1120062012.db2.gz YQWBRYSEBSEUGC-CQSZACIVSA-N 1 2 345.874 3.680 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)c1 ZINC000007811732 1128887367 /nfs/dbraw/zinc/88/73/67/1128887367.db2.gz ISWSWAJKLXRNJG-CHWSQXEVSA-N 1 2 339.277 3.674 20 0 EHADLO O=C(NCc1cccc(Cl)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081284815 1120119095 /nfs/dbraw/zinc/11/90/95/1120119095.db2.gz UQZXXJZADYKVMN-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCCC2(CCCC2)C1 ZINC001687361198 1120176114 /nfs/dbraw/zinc/17/61/14/1120176114.db2.gz ROAHSXZIDMZXNY-GOSISDBHSA-N 1 2 327.472 3.539 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCCC2(CCCC2)C1 ZINC001687361198 1120176118 /nfs/dbraw/zinc/17/61/18/1120176118.db2.gz ROAHSXZIDMZXNY-GOSISDBHSA-N 1 2 327.472 3.539 20 0 EHADLO Clc1ccc2sc(C[NH2+]Cc3cccc4c3OCO4)nc2c1 ZINC001648930750 1120237225 /nfs/dbraw/zinc/23/72/25/1120237225.db2.gz FDCBOKPIGVVOPR-UHFFFAOYSA-N 1 2 332.812 3.968 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CC[S@](=O)c2ccccc2)[C@@H](C)CO1 ZINC000441438533 1120271940 /nfs/dbraw/zinc/27/19/40/1120271940.db2.gz RUBYJTPHKWAFPQ-REIDKSKDSA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CC[S@](=O)c2ccccc2)[C@@H](C)CO1 ZINC000441438533 1120271942 /nfs/dbraw/zinc/27/19/42/1120271942.db2.gz RUBYJTPHKWAFPQ-REIDKSKDSA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000447350514 1120295152 /nfs/dbraw/zinc/29/51/52/1120295152.db2.gz SIUNZFVSUKKILY-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000447350514 1120295155 /nfs/dbraw/zinc/29/51/55/1120295155.db2.gz SIUNZFVSUKKILY-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184578295 1120380270 /nfs/dbraw/zinc/38/02/70/1120380270.db2.gz KPHANCVNNJXUAN-LIRRHRJNSA-N 1 2 346.425 3.585 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000185228863 1120404620 /nfs/dbraw/zinc/40/46/20/1120404620.db2.gz JOKOOPVGVKEMAL-OAHLLOKOSA-N 1 2 329.469 3.967 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347674088 1128920184 /nfs/dbraw/zinc/92/01/84/1128920184.db2.gz MUHKTHFUQXAJNZ-MRXNPFEDSA-N 1 2 339.361 3.502 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000347674088 1128920188 /nfs/dbraw/zinc/92/01/88/1128920188.db2.gz MUHKTHFUQXAJNZ-MRXNPFEDSA-N 1 2 339.361 3.502 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC001626011541 1120510007 /nfs/dbraw/zinc/51/00/07/1120510007.db2.gz QTMJNLDTOLZYKK-HNNXBMFYSA-N 1 2 335.407 3.697 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC001626011541 1120510012 /nfs/dbraw/zinc/51/00/12/1120510012.db2.gz QTMJNLDTOLZYKK-HNNXBMFYSA-N 1 2 335.407 3.697 20 0 EHADLO Cc1[nH+]ccn1CCN(C)Cc1cc(Br)ccc1Cl ZINC000494280726 1120526781 /nfs/dbraw/zinc/52/67/81/1120526781.db2.gz YNGSPKTWWIFQSD-UHFFFAOYSA-N 1 2 342.668 3.739 20 0 EHADLO CCCc1csc(CNCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000494333628 1120531895 /nfs/dbraw/zinc/53/18/95/1120531895.db2.gz TYAYCZUENZZNSF-UHFFFAOYSA-N 1 2 339.574 3.547 20 0 EHADLO CN(C)C(=O)c1cccc(CNc2c[nH+]ccc2OC(C)(C)C)c1 ZINC000921929760 1128925341 /nfs/dbraw/zinc/92/53/41/1128925341.db2.gz MYSQVXMJBCAOGL-UHFFFAOYSA-N 1 2 327.428 3.573 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000494500551 1120573383 /nfs/dbraw/zinc/57/33/83/1120573383.db2.gz FABKETVEWBHEMP-RJIBLYRGSA-N 1 2 339.798 3.605 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@H]1C ZINC000189320923 1120577120 /nfs/dbraw/zinc/57/71/20/1120577120.db2.gz LQJOXTCLBIGAQP-CRAIPNDOSA-N 1 2 346.496 3.887 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@H]1C ZINC000189320923 1120577126 /nfs/dbraw/zinc/57/71/26/1120577126.db2.gz LQJOXTCLBIGAQP-CRAIPNDOSA-N 1 2 346.496 3.887 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000191628298 1120682403 /nfs/dbraw/zinc/68/24/03/1120682403.db2.gz RPHBCGLPKFXQAZ-WDEREUQCSA-N 1 2 338.249 3.603 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000494622755 1120701856 /nfs/dbraw/zinc/70/18/56/1120701856.db2.gz BTIIBEZRWSOEJQ-ZDUSSCGKSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000494628620 1120706963 /nfs/dbraw/zinc/70/69/63/1120706963.db2.gz DBTHIJVHGSRXSP-CYBMUJFWSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1cc(OCC(=O)N(C)Cc2ccccc2F)c2ccccc2[nH+]1 ZINC000192191630 1120723588 /nfs/dbraw/zinc/72/35/88/1120723588.db2.gz GNGKPEZWVXDWTK-UHFFFAOYSA-N 1 2 338.382 3.720 20 0 EHADLO CCOc1ccccc1NC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192193794 1120724360 /nfs/dbraw/zinc/72/43/60/1120724360.db2.gz DHKHTEVZKBJDPS-UHFFFAOYSA-N 1 2 336.391 3.959 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccccc2C)CC1 ZINC000192248526 1120727721 /nfs/dbraw/zinc/72/77/21/1120727721.db2.gz ZZNLAZNCSGRTRM-UHFFFAOYSA-N 1 2 339.483 3.724 20 0 EHADLO Oc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1F ZINC000192592571 1120739643 /nfs/dbraw/zinc/73/96/43/1120739643.db2.gz DAFHVUZSSJWRAI-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO O=C1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc2N1 ZINC000542495086 1120748460 /nfs/dbraw/zinc/74/84/60/1120748460.db2.gz QMELQBGZQHHGRM-GOSISDBHSA-N 1 2 336.439 3.957 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(C(F)(F)F)cc1 ZINC000192785830 1120749019 /nfs/dbraw/zinc/74/90/19/1120749019.db2.gz JTKFBBIDUGAJJL-CQSZACIVSA-N 1 2 342.365 3.641 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(Cl)cc2)c1C ZINC000195002197 1120759238 /nfs/dbraw/zinc/75/92/38/1120759238.db2.gz DSPVQBILKHNLIU-UHFFFAOYSA-N 1 2 346.858 3.952 20 0 EHADLO CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)co2)c2ccccc21 ZINC000921933984 1128938573 /nfs/dbraw/zinc/93/85/73/1128938573.db2.gz BYOWEVLPYLFKSJ-OAHLLOKOSA-N 1 2 327.428 3.560 20 0 EHADLO CCC[C@@H](CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195365854 1120779198 /nfs/dbraw/zinc/77/91/98/1120779198.db2.gz ADMAFCSPXWWECO-SOLBZPMBSA-N 1 2 347.503 3.996 20 0 EHADLO CCC[C@@H](CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195365854 1120779201 /nfs/dbraw/zinc/77/92/01/1120779201.db2.gz ADMAFCSPXWWECO-SOLBZPMBSA-N 1 2 347.503 3.996 20 0 EHADLO CC(C)c1nsc(C[NH+]2CCC3(CC2)OCc2ccccc23)n1 ZINC000929831146 1120793653 /nfs/dbraw/zinc/79/36/53/1120793653.db2.gz JHESSPCMTKCWAH-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO O=C(CCCc1nc2ccccc2[nH]1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000194556553 1120849221 /nfs/dbraw/zinc/84/92/21/1120849221.db2.gz BMWMXGYQESJACN-UHFFFAOYSA-N 1 2 345.406 3.710 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@](F)(CO)C3)s2)cc1 ZINC000670111019 1120873137 /nfs/dbraw/zinc/87/31/37/1120873137.db2.gz JOVBXRGSBNVEGD-SFHVURJKSA-N 1 2 334.460 3.840 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@](F)(CO)C3)s2)cc1 ZINC000670111019 1120873140 /nfs/dbraw/zinc/87/31/40/1120873140.db2.gz JOVBXRGSBNVEGD-SFHVURJKSA-N 1 2 334.460 3.840 20 0 EHADLO CC[C@H](C)[N@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000494938183 1120911069 /nfs/dbraw/zinc/91/10/69/1120911069.db2.gz NTMHMOLCRKOCOF-ZDUSSCGKSA-N 1 2 336.277 3.983 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000494938183 1120911073 /nfs/dbraw/zinc/91/10/73/1120911073.db2.gz NTMHMOLCRKOCOF-ZDUSSCGKSA-N 1 2 336.277 3.983 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000494998775 1120925733 /nfs/dbraw/zinc/92/57/33/1120925733.db2.gz PZSMBRLZNUUFMU-BHYGNILZSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000494998775 1120925736 /nfs/dbraw/zinc/92/57/36/1120925736.db2.gz PZSMBRLZNUUFMU-BHYGNILZSA-N 1 2 339.863 3.507 20 0 EHADLO Cc1c(Cl)cccc1NC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761837295 1120980158 /nfs/dbraw/zinc/98/01/58/1120980158.db2.gz GZQRTXYXMYBUBY-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000523376735 1121027202 /nfs/dbraw/zinc/02/72/02/1121027202.db2.gz IRYMRDZZLZMWAM-UHFFFAOYSA-N 1 2 347.340 3.520 20 0 EHADLO CCOC(=O)C[N@H+](CCCOc1cccc2ccccc21)C1CC1 ZINC000303041468 1121117716 /nfs/dbraw/zinc/11/77/16/1121117716.db2.gz TUBDZDSKQQZWCH-UHFFFAOYSA-N 1 2 327.424 3.636 20 0 EHADLO CCOC(=O)C[N@@H+](CCCOc1cccc2ccccc21)C1CC1 ZINC000303041468 1121117720 /nfs/dbraw/zinc/11/77/20/1121117720.db2.gz TUBDZDSKQQZWCH-UHFFFAOYSA-N 1 2 327.424 3.636 20 0 EHADLO O=C(C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)NCC1CC1 ZINC000495392121 1121159186 /nfs/dbraw/zinc/15/91/86/1121159186.db2.gz WVHSEWHRTROENO-LJQANCHMSA-N 1 2 346.833 3.684 20 0 EHADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000356250429 1128966757 /nfs/dbraw/zinc/96/67/57/1128966757.db2.gz RMTOROLXVRFPCY-SFHVURJKSA-N 1 2 331.435 3.597 20 0 EHADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000356250429 1128966761 /nfs/dbraw/zinc/96/67/61/1128966761.db2.gz RMTOROLXVRFPCY-SFHVURJKSA-N 1 2 331.435 3.597 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(C3SCCS3)cc2)n1 ZINC000762409357 1121287977 /nfs/dbraw/zinc/28/79/77/1121287977.db2.gz LHAKTBBHXQNWHJ-UHFFFAOYSA-N 1 2 344.465 3.540 20 0 EHADLO Cc1cccc(-c2nnc(SCc3cc[nH+]c(N(C)C)c3)o2)c1 ZINC000762470814 1121315004 /nfs/dbraw/zinc/31/50/04/1121315004.db2.gz YZSVYCJTTQCWBP-UHFFFAOYSA-N 1 2 326.425 3.798 20 0 EHADLO CCOc1ccc2[nH]c(SCc3cc[nH+]c(N(C)C)c3)nc2c1 ZINC000762467034 1121319639 /nfs/dbraw/zinc/31/96/39/1121319639.db2.gz AVJWAWIYGGBLAC-UHFFFAOYSA-N 1 2 328.441 3.715 20 0 EHADLO CC(=O)c1ccc(Br)cc1OCc1cc[nH+]c(N(C)C)c1 ZINC000762478429 1121321780 /nfs/dbraw/zinc/32/17/80/1121321780.db2.gz IJEXZSXIXDSJNP-UHFFFAOYSA-N 1 2 349.228 3.692 20 0 EHADLO Fc1ccc([C@H]2CCCC[N@@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762498026 1121327054 /nfs/dbraw/zinc/32/70/54/1121327054.db2.gz LXLLSOJRSNMSBT-GOSISDBHSA-N 1 2 337.402 3.664 20 0 EHADLO Fc1ccc([C@H]2CCCC[N@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762498026 1121327063 /nfs/dbraw/zinc/32/70/63/1121327063.db2.gz LXLLSOJRSNMSBT-GOSISDBHSA-N 1 2 337.402 3.664 20 0 EHADLO CC(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)=C1CCCC1 ZINC000176626930 1121524599 /nfs/dbraw/zinc/52/45/99/1121524599.db2.gz RQSRVVPWLBNBKY-UHFFFAOYSA-N 1 2 327.472 3.969 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(Cl)o1 ZINC000496074680 1121635427 /nfs/dbraw/zinc/63/54/27/1121635427.db2.gz DJGFQBQBSJHQJO-UHFFFAOYSA-N 1 2 337.807 3.965 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)NC3CCCCCCC3)CCC2)n1 ZINC000763033029 1121659783 /nfs/dbraw/zinc/65/97/83/1121659783.db2.gz MHWJAYXKHKNHKI-UHFFFAOYSA-N 1 2 335.517 3.649 20 0 EHADLO COc1cc[nH+]cc1NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282116622 1121775374 /nfs/dbraw/zinc/77/53/74/1121775374.db2.gz UMQQPOMXPRSVLE-UHFFFAOYSA-N 1 2 336.417 3.506 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000054975816 1121787498 /nfs/dbraw/zinc/78/74/98/1121787498.db2.gz FPPLFNCFXPXMED-MRXNPFEDSA-N 1 2 334.851 3.623 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000055102131 1121795521 /nfs/dbraw/zinc/79/55/21/1121795521.db2.gz QWKLKTLETFRKRM-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000055102131 1121795523 /nfs/dbraw/zinc/79/55/23/1121795523.db2.gz QWKLKTLETFRKRM-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 ZINC000444134407 1121864350 /nfs/dbraw/zinc/86/43/50/1121864350.db2.gz BKTJZVSNYYIORI-HNNXBMFYSA-N 1 2 346.519 3.914 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC2CCC(C)(C)CC2)C1 ZINC000444125560 1121865968 /nfs/dbraw/zinc/86/59/68/1121865968.db2.gz GTFXOHZZAVAGJP-INIZCTEOSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077347643 1129015993 /nfs/dbraw/zinc/01/59/93/1129015993.db2.gz JYESRXMKQDPJRJ-MRXNPFEDSA-N 1 2 342.487 3.945 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc(Cl)sc3[nH]2)C1 ZINC000358001524 1129019990 /nfs/dbraw/zinc/01/99/90/1129019990.db2.gz JDXHOSQQFPUQKA-SNVBAGLBSA-N 1 2 348.859 3.636 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444186972 1121964959 /nfs/dbraw/zinc/96/49/59/1121964959.db2.gz UAWPJFJOTYXARE-IXDOHACOSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)cc1 ZINC000763333169 1121967096 /nfs/dbraw/zinc/96/70/96/1121967096.db2.gz POMRKXVOGCEQOI-OAHLLOKOSA-N 1 2 345.468 3.782 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)cc1 ZINC000763333169 1121967101 /nfs/dbraw/zinc/96/71/01/1121967101.db2.gz POMRKXVOGCEQOI-OAHLLOKOSA-N 1 2 345.468 3.782 20 0 EHADLO Fc1ccccc1NC(=S)NCc1ccccc1Cn1cc[nH+]c1 ZINC000916014924 1122021231 /nfs/dbraw/zinc/02/12/31/1122021231.db2.gz QGIAVUMBZJQWTI-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)no1 ZINC000496270673 1122035353 /nfs/dbraw/zinc/03/53/53/1122035353.db2.gz CWPSMRYRULMHHR-AWEZNQCLSA-N 1 2 345.443 3.859 20 0 EHADLO C[C@H]1[C@H]([NH2+]Cc2cccc(O)c2Cl)CCN1Cc1ccccc1 ZINC000328200205 1122069340 /nfs/dbraw/zinc/06/93/40/1122069340.db2.gz FYYSCQACMRZJCJ-WMLDXEAASA-N 1 2 330.859 3.798 20 0 EHADLO CCCCc1ccc([C@H]([NH2+]Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000499578994 1129040725 /nfs/dbraw/zinc/04/07/25/1129040725.db2.gz ZSZOTLJLLUQJIO-GOSISDBHSA-N 1 2 330.476 3.965 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000465990950 1129046198 /nfs/dbraw/zinc/04/61/98/1129046198.db2.gz DUQCUEOGRXDUSF-HNNXBMFYSA-N 1 2 335.517 3.544 20 0 EHADLO CC[C@H](SC)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125542224 1122320060 /nfs/dbraw/zinc/32/00/60/1122320060.db2.gz STRTTWKXEZZTPW-INIZCTEOSA-N 1 2 340.920 3.516 20 0 EHADLO CC[C@H](SC)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125542224 1122320065 /nfs/dbraw/zinc/32/00/65/1122320065.db2.gz STRTTWKXEZZTPW-INIZCTEOSA-N 1 2 340.920 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(C)[nH+]1 ZINC000497260819 1122427090 /nfs/dbraw/zinc/42/70/90/1122427090.db2.gz KQDPASCCWRPUQK-CABCVRRESA-N 1 2 347.459 3.591 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068740 1122474792 /nfs/dbraw/zinc/47/47/92/1122474792.db2.gz ZWGOISKXFYYGAJ-YLJYHZDGSA-N 1 2 327.472 3.899 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068740 1122474795 /nfs/dbraw/zinc/47/47/95/1122474795.db2.gz ZWGOISKXFYYGAJ-YLJYHZDGSA-N 1 2 327.472 3.899 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067558247 1122521420 /nfs/dbraw/zinc/52/14/20/1122521420.db2.gz GWMJFKZYAUVKGI-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(Br)cc1F ZINC000128166409 1122535471 /nfs/dbraw/zinc/53/54/71/1122535471.db2.gz FLWZWISJBWQXBT-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000128185075 1122536870 /nfs/dbraw/zinc/53/68/70/1122536870.db2.gz ZLOUWXSXLWJUOV-UHFFFAOYSA-N 1 2 332.812 3.997 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1ccoc1 ZINC000497490695 1122564620 /nfs/dbraw/zinc/56/46/20/1122564620.db2.gz HPLLLBYBLVSBFX-HXUWFJFHSA-N 1 2 326.440 3.759 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1ccoc1 ZINC000497490695 1122564623 /nfs/dbraw/zinc/56/46/23/1122564623.db2.gz HPLLLBYBLVSBFX-HXUWFJFHSA-N 1 2 326.440 3.759 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)Cc1ccoc1 ZINC000497491288 1122565016 /nfs/dbraw/zinc/56/50/16/1122565016.db2.gz JDDOOTZTUIKREU-FQEVSTJZSA-N 1 2 344.430 3.898 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)Cc1ccoc1 ZINC000497491288 1122565019 /nfs/dbraw/zinc/56/50/19/1122565019.db2.gz JDDOOTZTUIKREU-FQEVSTJZSA-N 1 2 344.430 3.898 20 0 EHADLO CCC[NH+](CCC)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917422129 1122604740 /nfs/dbraw/zinc/60/47/40/1122604740.db2.gz FKRQBQSJQGWCAA-UHFFFAOYSA-N 1 2 336.435 3.962 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000917524445 1122621601 /nfs/dbraw/zinc/62/16/01/1122621601.db2.gz SPBOQBVZVTWJRE-YVMONPNESA-N 1 2 346.883 3.759 20 0 EHADLO C/C(=C/C(=O)OCCOCCCc1cccc(C)[nH+]1)c1ccccc1 ZINC000917538926 1122626128 /nfs/dbraw/zinc/62/61/28/1122626128.db2.gz ZIVIKFGBEKTYKB-MSUUIHNZSA-N 1 2 339.435 3.986 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000154532891 1122687869 /nfs/dbraw/zinc/68/78/69/1122687869.db2.gz NZIJRRFIKFHVKO-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000154532891 1122687870 /nfs/dbraw/zinc/68/78/70/1122687870.db2.gz NZIJRRFIKFHVKO-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(NC(C)=O)cc1 ZINC000128904126 1122691990 /nfs/dbraw/zinc/69/19/90/1122691990.db2.gz YJDQSZPWUZOCMC-UHFFFAOYSA-N 1 2 326.375 3.766 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000069069244 1122749804 /nfs/dbraw/zinc/74/98/04/1122749804.db2.gz ZLXHFKFBUUMZBW-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000069069244 1122749812 /nfs/dbraw/zinc/74/98/12/1122749812.db2.gz ZLXHFKFBUUMZBW-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069816 1122749847 /nfs/dbraw/zinc/74/98/47/1122749847.db2.gz HDXXEKLUFDIROA-LBPRGKRZSA-N 1 2 336.819 3.882 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069816 1122749852 /nfs/dbraw/zinc/74/98/52/1122749852.db2.gz HDXXEKLUFDIROA-LBPRGKRZSA-N 1 2 336.819 3.882 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1nc(C(F)(F)F)cs1 ZINC000922072679 1129077724 /nfs/dbraw/zinc/07/77/24/1129077724.db2.gz NASBPFNDGFIRJT-ZETCQYMHSA-N 1 2 343.330 3.860 20 0 EHADLO Cc1cc(F)ccc1Cc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924017811 1122932985 /nfs/dbraw/zinc/93/29/85/1122932985.db2.gz ZACAVIRGJXFPON-MRXNPFEDSA-N 1 2 328.391 3.940 20 0 EHADLO OCC[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccc1 ZINC000070928479 1122945399 /nfs/dbraw/zinc/94/53/99/1122945399.db2.gz MVWQGTNSUDKTBE-UHFFFAOYSA-N 1 2 330.478 3.866 20 0 EHADLO OCC[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccc1 ZINC000070928479 1122945401 /nfs/dbraw/zinc/94/54/01/1122945401.db2.gz MVWQGTNSUDKTBE-UHFFFAOYSA-N 1 2 330.478 3.866 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cccc5c4O[C@H](C)C5)n3)[nH+]c12 ZINC000556420441 1122971405 /nfs/dbraw/zinc/97/14/05/1122971405.db2.gz RBCCDLHVMQTMSN-CYBMUJFWSA-N 1 2 346.390 3.607 20 0 EHADLO Cc1c(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1[C@@H]1CCOC1 ZINC000556444620 1122977987 /nfs/dbraw/zinc/97/79/87/1122977987.db2.gz OVOZMDVCWSDTPU-KBXCAEBGSA-N 1 2 337.427 3.512 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000498627956 1122997468 /nfs/dbraw/zinc/99/74/68/1122997468.db2.gz TZSQUMRPHMWQNP-QGZVFWFLSA-N 1 2 333.435 3.773 20 0 EHADLO CN(c1nc(C[NH+]2CCC(CC(F)(F)F)CC2)cs1)C1CC1 ZINC000556505889 1123004640 /nfs/dbraw/zinc/00/46/40/1123004640.db2.gz QFWRZXJUMQVUBI-UHFFFAOYSA-N 1 2 333.423 3.906 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000919462844 1123066756 /nfs/dbraw/zinc/06/67/56/1123066756.db2.gz OHPZQVIWCSNGAB-HNNXBMFYSA-N 1 2 332.492 3.882 20 0 EHADLO C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000131405386 1123098979 /nfs/dbraw/zinc/09/89/79/1123098979.db2.gz BPIXHPDCDGTQGQ-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO C[C@](Cc1ccccc1)(NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000556748985 1123100548 /nfs/dbraw/zinc/10/05/48/1123100548.db2.gz RUEOYAZBQTVSKB-OAQYLSRUSA-N 1 2 348.450 3.545 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515452 1123108451 /nfs/dbraw/zinc/10/84/51/1123108451.db2.gz DNRLYUOTSPZKFB-QWRGUYRKSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515452 1123108454 /nfs/dbraw/zinc/10/84/54/1123108454.db2.gz DNRLYUOTSPZKFB-QWRGUYRKSA-N 1 2 347.322 3.636 20 0 EHADLO C[C@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000466020655 1129105725 /nfs/dbraw/zinc/10/57/25/1129105725.db2.gz JCKJJMCJGPNYHA-JXFKEZNVSA-N 1 2 346.434 3.775 20 0 EHADLO CCc1ccc([C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000131724742 1123172741 /nfs/dbraw/zinc/17/27/41/1123172741.db2.gz NSLUMDXTOIHQHS-LJQANCHMSA-N 1 2 342.487 3.874 20 0 EHADLO CC(C)C1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000073628905 1123213338 /nfs/dbraw/zinc/21/33/38/1123213338.db2.gz BBWVTRGMUYNOBS-UHFFFAOYSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356960864 1129108492 /nfs/dbraw/zinc/10/84/92/1129108492.db2.gz PXWMMJANWRMGAQ-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133292206 1123378498 /nfs/dbraw/zinc/37/84/98/1123378498.db2.gz OVSVNUIPDNGXIO-MSOLQXFVSA-N 1 2 349.425 3.510 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133292206 1123378501 /nfs/dbraw/zinc/37/85/01/1123378501.db2.gz OVSVNUIPDNGXIO-MSOLQXFVSA-N 1 2 349.425 3.510 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921149270 1123472583 /nfs/dbraw/zinc/47/25/83/1123472583.db2.gz OGBAPWKIOIONFR-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CCC2)c1 ZINC000921152214 1123473214 /nfs/dbraw/zinc/47/32/14/1123473214.db2.gz LUJXCNFYZGKMTC-UHFFFAOYSA-N 1 2 345.446 3.919 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)c(F)c1 ZINC000921236317 1123488732 /nfs/dbraw/zinc/48/87/32/1123488732.db2.gz GTGGCORBHPDUKK-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246924 1123508094 /nfs/dbraw/zinc/50/80/94/1123508094.db2.gz HWNKGNAVERMAID-KSSFIOAISA-N 1 2 335.407 3.561 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246924 1123508098 /nfs/dbraw/zinc/50/80/98/1123508098.db2.gz HWNKGNAVERMAID-KSSFIOAISA-N 1 2 335.407 3.561 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)n1 ZINC000134488807 1123526630 /nfs/dbraw/zinc/52/66/30/1123526630.db2.gz MSZLBUDNFKWMQV-ZBFHGGJFSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)n1 ZINC000134488807 1123526633 /nfs/dbraw/zinc/52/66/33/1123526633.db2.gz MSZLBUDNFKWMQV-ZBFHGGJFSA-N 1 2 349.500 3.657 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000922121023 1129127716 /nfs/dbraw/zinc/12/77/16/1129127716.db2.gz QRZGVKDBABEGCD-UHFFFAOYSA-N 1 2 336.842 3.655 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)oc1C ZINC000134632373 1123538020 /nfs/dbraw/zinc/53/80/20/1123538020.db2.gz JDVWJQUAEGGGIP-UHFFFAOYSA-N 1 2 333.457 3.837 20 0 EHADLO CC[N@@H+](Cc1csc(C2CC2)n1)C[C@@H]1COc2ccccc2O1 ZINC000134850507 1123557365 /nfs/dbraw/zinc/55/73/65/1123557365.db2.gz HSJBKDGNIOJPFP-OAHLLOKOSA-N 1 2 330.453 3.682 20 0 EHADLO CC[N@H+](Cc1csc(C2CC2)n1)C[C@@H]1COc2ccccc2O1 ZINC000134850507 1123557369 /nfs/dbraw/zinc/55/73/69/1123557369.db2.gz HSJBKDGNIOJPFP-OAHLLOKOSA-N 1 2 330.453 3.682 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCc2ccccc21 ZINC000064440265 1123618186 /nfs/dbraw/zinc/61/81/86/1123618186.db2.gz AWAJQMCVPDELSF-ROUUACIJSA-N 1 2 325.456 3.534 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484382 1123625681 /nfs/dbraw/zinc/62/56/81/1123625681.db2.gz VZXMMVJTFQRLCS-MSOLQXFVSA-N 1 2 342.487 3.674 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484382 1123625682 /nfs/dbraw/zinc/62/56/82/1123625682.db2.gz VZXMMVJTFQRLCS-MSOLQXFVSA-N 1 2 342.487 3.674 20 0 EHADLO COC(=O)c1ccc(COc2cc(C)[nH+]c3ccc(OC)cc32)o1 ZINC000195581176 1123630285 /nfs/dbraw/zinc/63/02/85/1123630285.db2.gz AWJFCKQWAAFXFE-UHFFFAOYSA-N 1 2 327.336 3.510 20 0 EHADLO COC(=O)CCC[N@H+](Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000135836970 1123648031 /nfs/dbraw/zinc/64/80/31/1123648031.db2.gz NANYTUVUTBDYCF-UHFFFAOYSA-N 1 2 344.480 3.976 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000135836970 1123648036 /nfs/dbraw/zinc/64/80/36/1123648036.db2.gz NANYTUVUTBDYCF-UHFFFAOYSA-N 1 2 344.480 3.976 20 0 EHADLO COc1cccc(SCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000079217649 1123679004 /nfs/dbraw/zinc/67/90/04/1123679004.db2.gz ANPQVEULRFHHNW-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO Cc1ccccc1OCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079217652 1123679163 /nfs/dbraw/zinc/67/91/63/1123679163.db2.gz DYDDUMPIHBPOAE-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO COC[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccco1 ZINC000080239084 1123748066 /nfs/dbraw/zinc/74/80/66/1123748066.db2.gz YLUCZKWNMLRIKH-INIZCTEOSA-N 1 2 331.803 3.596 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543041367 1129148018 /nfs/dbraw/zinc/14/80/18/1129148018.db2.gz NFDKTGRXVMWISK-IEBWSBKVSA-N 1 2 346.519 3.911 20 0 EHADLO O=C(Nc1cscc1Br)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000615735211 1123866246 /nfs/dbraw/zinc/86/62/46/1123866246.db2.gz YCNUEFMXROXLPD-CYBMUJFWSA-N 1 2 343.290 3.856 20 0 EHADLO O=C(Nc1cscc1Br)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000615735211 1123866250 /nfs/dbraw/zinc/86/62/50/1123866250.db2.gz YCNUEFMXROXLPD-CYBMUJFWSA-N 1 2 343.290 3.856 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc2[nH]ccc21 ZINC000081793830 1123902651 /nfs/dbraw/zinc/90/26/51/1123902651.db2.gz DKGJSLLFYSTTDL-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000245662525 1123914610 /nfs/dbraw/zinc/91/46/10/1123914610.db2.gz HVOQBOYWJAHYBN-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000245662525 1123914613 /nfs/dbraw/zinc/91/46/13/1123914613.db2.gz HVOQBOYWJAHYBN-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO C[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@@H](c2ccsc2)O1 ZINC000245770552 1123949731 /nfs/dbraw/zinc/94/97/31/1123949731.db2.gz RQSJHKIXNQSSLP-LIRRHRJNSA-N 1 2 327.449 3.986 20 0 EHADLO C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@@H](c2ccsc2)O1 ZINC000245770552 1123949732 /nfs/dbraw/zinc/94/97/32/1123949732.db2.gz RQSJHKIXNQSSLP-LIRRHRJNSA-N 1 2 327.449 3.986 20 0 EHADLO O=C(Nc1nc(-c2ccccc2)c[nH]1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000673051697 1129159766 /nfs/dbraw/zinc/15/97/66/1129159766.db2.gz ZKFZKPLGBWNHTG-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CC(C)COc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212283350 1124002473 /nfs/dbraw/zinc/00/24/73/1124002473.db2.gz GBHJTLADCJAGHN-UHFFFAOYSA-N 1 2 327.428 3.697 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000138905666 1124028574 /nfs/dbraw/zinc/02/85/74/1124028574.db2.gz WVWXVPYYFPDNGV-QGZVFWFLSA-N 1 2 348.535 3.845 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000138914253 1124029435 /nfs/dbraw/zinc/02/94/35/1124029435.db2.gz YBSQWWGIBFYSEP-KURKYZTESA-N 1 2 346.519 3.599 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734525230 1131247066 /nfs/dbraw/zinc/24/70/66/1131247066.db2.gz MTIPLTXGTDGFMA-SJORKVTESA-N 1 2 340.471 3.888 20 0 EHADLO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557242 /nfs/dbraw/zinc/55/72/42/1124557242.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 1 2 349.950 3.797 20 0 EHADLO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557263 /nfs/dbraw/zinc/55/72/63/1124557263.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 1 2 349.950 3.797 20 0 EHADLO CCCCCCOc1cccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763489873 1124671371 /nfs/dbraw/zinc/67/13/71/1124671371.db2.gz JCKQQNBXUSPFCD-GAJHUEQPSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1cccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763489873 1124671375 /nfs/dbraw/zinc/67/13/75/1124671375.db2.gz JCKQQNBXUSPFCD-GAJHUEQPSA-N 1 2 337.529 3.989 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)ccc3N3CCCC3)ccc2[nH+]1 ZINC000735007961 1131302235 /nfs/dbraw/zinc/30/22/35/1131302235.db2.gz RUIDWTCVVAUMJX-UHFFFAOYSA-N 1 2 334.423 3.804 20 0 EHADLO COc1cccc(Oc2ccc(C(=O)Nc3cc(C)[nH+]cc3C)nc2)c1 ZINC001127645451 1125005835 /nfs/dbraw/zinc/00/58/35/1125005835.db2.gz BOGNDUPKZJWZLQ-UHFFFAOYSA-N 1 2 349.390 3.569 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619112691 1125277355 /nfs/dbraw/zinc/27/73/55/1125277355.db2.gz JNOOTDJTIHQIAR-INIZCTEOSA-N 1 2 329.469 3.614 20 0 EHADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763542980 1125330604 /nfs/dbraw/zinc/33/06/04/1125330604.db2.gz IAWMNOFADWSGMM-QZFKAFNDSA-N 1 2 333.303 3.809 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(C)cs1 ZINC000182681930 1125353466 /nfs/dbraw/zinc/35/34/66/1125353466.db2.gz SMPCNOHNHZLIID-SFHVURJKSA-N 1 2 344.436 3.679 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000183050009 1125431290 /nfs/dbraw/zinc/43/12/90/1125431290.db2.gz BNLOOWNNUBSBOZ-ZDUSSCGKSA-N 1 2 339.505 3.708 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000183050009 1125431291 /nfs/dbraw/zinc/43/12/91/1125431291.db2.gz BNLOOWNNUBSBOZ-ZDUSSCGKSA-N 1 2 339.505 3.708 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000785461801 1129203553 /nfs/dbraw/zinc/20/35/53/1129203553.db2.gz OSOPBYFGDPQTHG-JZXOWHBKSA-N 1 2 348.487 3.670 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000785461801 1129203554 /nfs/dbraw/zinc/20/35/54/1129203554.db2.gz OSOPBYFGDPQTHG-JZXOWHBKSA-N 1 2 348.487 3.670 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1nc2ccsc2s1 ZINC000735577735 1131358879 /nfs/dbraw/zinc/35/88/79/1131358879.db2.gz XHEUEMGYULFDQF-LLVKDONJSA-N 1 2 349.485 3.791 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067064432 1129239959 /nfs/dbraw/zinc/23/99/59/1129239959.db2.gz TUQXEYAFKCTRHF-LJQANCHMSA-N 1 2 340.471 3.643 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1Cl ZINC000922161653 1129261304 /nfs/dbraw/zinc/26/13/04/1129261304.db2.gz FPCCSKFEDSCPGE-SNVBAGLBSA-N 1 2 329.753 3.576 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3noc4c3CCCC4)CC2)cc1 ZINC000115558339 1129274337 /nfs/dbraw/zinc/27/43/37/1129274337.db2.gz KTORXKALIYGNTB-UHFFFAOYSA-N 1 2 330.403 3.736 20 0 EHADLO Cc1cccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067523417 1129282031 /nfs/dbraw/zinc/28/20/31/1129282031.db2.gz DOXFRUVGHYSISP-UHFFFAOYSA-N 1 2 337.398 3.569 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265836100 1129322263 /nfs/dbraw/zinc/32/22/63/1129322263.db2.gz UKXAYWCXEXAHDY-ZWKOTPCHSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1ncsc1-c1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000657478112 1129352615 /nfs/dbraw/zinc/35/26/15/1129352615.db2.gz FEJAKRNXAGEBGY-UHFFFAOYSA-N 1 2 327.457 3.650 20 0 EHADLO Cc1cc(N2CCC[C@@H](O)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000338829087 1129357706 /nfs/dbraw/zinc/35/77/06/1129357706.db2.gz JYQLRRBQQMOWGH-GFCCVEGCSA-N 1 2 340.345 3.793 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068408087 1129368701 /nfs/dbraw/zinc/36/87/01/1129368701.db2.gz RFAVZVUTQWZBGL-HNNXBMFYSA-N 1 2 341.430 3.544 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068407498 1129368746 /nfs/dbraw/zinc/36/87/46/1129368746.db2.gz PZGDIWMEVIXCKK-QGZVFWFLSA-N 1 2 337.467 3.713 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068422129 1129369154 /nfs/dbraw/zinc/36/91/54/1129369154.db2.gz CJPSCXMLJZVTEG-INIZCTEOSA-N 1 2 325.456 3.756 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1 ZINC000543328403 1129413495 /nfs/dbraw/zinc/41/34/95/1129413495.db2.gz INXGQEFDYBRALD-SFHVURJKSA-N 1 2 349.438 3.766 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000081325071 1129413935 /nfs/dbraw/zinc/41/39/35/1129413935.db2.gz PRFQWKDMYKRJGK-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000069281550 1129437795 /nfs/dbraw/zinc/43/77/95/1129437795.db2.gz GIPNNGMMUKQAAJ-FUHWJXTLSA-N 1 2 344.503 3.709 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2cc3n(n2)CCCC3)s1 ZINC000657673813 1129459564 /nfs/dbraw/zinc/45/95/64/1129459564.db2.gz MVXNLYBPWLVUTC-UHFFFAOYSA-N 1 2 340.290 3.642 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Br)cc1F)CO2 ZINC000466468559 1129475225 /nfs/dbraw/zinc/47/52/25/1129475225.db2.gz IBZCBVSQZHTBKF-CQSZACIVSA-N 1 2 340.167 3.951 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158455024 1129516243 /nfs/dbraw/zinc/51/62/43/1129516243.db2.gz YHRNONDXPSMJTD-CXAGYDPISA-N 1 2 327.428 3.551 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158455024 1129516246 /nfs/dbraw/zinc/51/62/46/1129516246.db2.gz YHRNONDXPSMJTD-CXAGYDPISA-N 1 2 327.428 3.551 20 0 EHADLO Cn1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(-c2cccs2)n1 ZINC000922521111 1129560981 /nfs/dbraw/zinc/56/09/81/1129560981.db2.gz SNCSYTMJLGSCJK-KSSFIOAISA-N 1 2 343.427 3.710 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521568 1129561487 /nfs/dbraw/zinc/56/14/87/1129561487.db2.gz VWBHIJRQXFEARK-IEBWSBKVSA-N 1 2 331.387 3.621 20 0 EHADLO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000922522009 1129561542 /nfs/dbraw/zinc/56/15/42/1129561542.db2.gz PPZRZJKBTYGKPH-OXJNMPFZSA-N 1 2 343.398 3.799 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186539335 1129565385 /nfs/dbraw/zinc/56/53/85/1129565385.db2.gz RCQJNYOIPVJHQA-FPOVZHCZSA-N 1 2 343.515 3.520 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1c(F)cccc1F ZINC000428876384 1129565539 /nfs/dbraw/zinc/56/55/39/1129565539.db2.gz LHUXAKHGZABANW-NSHDSACASA-N 1 2 337.313 3.868 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OCC ZINC000922583802 1129583355 /nfs/dbraw/zinc/58/33/55/1129583355.db2.gz WQFHLWMGHMBVDD-LJQANCHMSA-N 1 2 341.455 3.905 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2OC2CC2)oc1C ZINC000347727099 1129609521 /nfs/dbraw/zinc/60/95/21/1129609521.db2.gz DHSSPEZFAJZBGP-UHFFFAOYSA-N 1 2 329.396 3.548 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2OC2CC2)oc1C ZINC000347727099 1129609522 /nfs/dbraw/zinc/60/95/22/1129609522.db2.gz DHSSPEZFAJZBGP-UHFFFAOYSA-N 1 2 329.396 3.548 20 0 EHADLO CCCCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000124470599 1129610054 /nfs/dbraw/zinc/61/00/54/1129610054.db2.gz NJBBYKJPOGYMRW-DLBZAZTESA-N 1 2 328.460 3.845 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000428948899 1129629564 /nfs/dbraw/zinc/62/95/64/1129629564.db2.gz VQKGSSIOOLBQNE-UHFFFAOYSA-N 1 2 335.492 3.719 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000428948899 1129629568 /nfs/dbraw/zinc/62/95/68/1129629568.db2.gz VQKGSSIOOLBQNE-UHFFFAOYSA-N 1 2 335.492 3.719 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000428953065 1129635633 /nfs/dbraw/zinc/63/56/33/1129635633.db2.gz FDXJPILYJAEEJE-MRXNPFEDSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1cnc(C[NH2+]Cc2nc3cc(Br)ccc3o2)c(C)c1 ZINC000922741379 1129645664 /nfs/dbraw/zinc/64/56/64/1129645664.db2.gz LDCSIZGPLKOEMD-UHFFFAOYSA-N 1 2 346.228 3.892 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000509022409 1129660811 /nfs/dbraw/zinc/66/08/11/1129660811.db2.gz PSJJHIYPTHTJBW-MSOLQXFVSA-N 1 2 333.472 3.527 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000509022409 1129660813 /nfs/dbraw/zinc/66/08/13/1129660813.db2.gz PSJJHIYPTHTJBW-MSOLQXFVSA-N 1 2 333.472 3.527 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2n[nH]c3ccccc32)c(C)c1OC ZINC000673617612 1129667619 /nfs/dbraw/zinc/66/76/19/1129667619.db2.gz LRLCCLSVHOWYQY-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO CC(C)n1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000347745020 1129675784 /nfs/dbraw/zinc/67/57/84/1129675784.db2.gz CULSXBUGMHXZMA-FQEVSTJZSA-N 1 2 348.450 3.934 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(F)cn1 ZINC000428994154 1129676390 /nfs/dbraw/zinc/67/63/90/1129676390.db2.gz OLCFLGIUIZTOLT-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(F)cn1 ZINC000428994154 1129676391 /nfs/dbraw/zinc/67/63/91/1129676391.db2.gz OLCFLGIUIZTOLT-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO O=C(CCc1ccsc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282390689 1129687095 /nfs/dbraw/zinc/68/70/95/1129687095.db2.gz RLUMSUSGHUEUGH-MRXNPFEDSA-N 1 2 343.496 3.620 20 0 EHADLO CCSc1ccc(C[N@@H+]2CCCOCC2)c(Br)c1 ZINC000625115516 1129734789 /nfs/dbraw/zinc/73/47/89/1129734789.db2.gz DAXQOFFIQNCAFL-UHFFFAOYSA-N 1 2 330.291 3.783 20 0 EHADLO CCSc1ccc(C[N@H+]2CCCOCC2)c(Br)c1 ZINC000625115516 1129734792 /nfs/dbraw/zinc/73/47/92/1129734792.db2.gz DAXQOFFIQNCAFL-UHFFFAOYSA-N 1 2 330.291 3.783 20 0 EHADLO Clc1cccc2c1C[C@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001168737870 1129735968 /nfs/dbraw/zinc/73/59/68/1129735968.db2.gz HIEMNZUJWCWEJF-CYBMUJFWSA-N 1 2 349.659 3.981 20 0 EHADLO Clc1cccc2c1C[C@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001168737870 1129735970 /nfs/dbraw/zinc/73/59/70/1129735970.db2.gz HIEMNZUJWCWEJF-CYBMUJFWSA-N 1 2 349.659 3.981 20 0 EHADLO Cn1nc(C[NH2+][C@H](c2ccccc2)c2ccncc2)c2ccccc21 ZINC000393127589 1129736757 /nfs/dbraw/zinc/73/67/57/1129736757.db2.gz SZDBENSDOTXUTO-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000014193725 1129783720 /nfs/dbraw/zinc/78/37/20/1129783720.db2.gz MYNOJLKDTMPZOB-JTQLQIEISA-N 1 2 345.668 3.773 20 0 EHADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000014193725 1129783722 /nfs/dbraw/zinc/78/37/22/1129783722.db2.gz MYNOJLKDTMPZOB-JTQLQIEISA-N 1 2 345.668 3.773 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625276607 1129798589 /nfs/dbraw/zinc/79/85/89/1129798589.db2.gz OFDUYZMGGBLQSD-ROUUACIJSA-N 1 2 341.430 3.723 20 0 EHADLO Cc1cccc2cc(C(=O)NCCc3cn4cccc(C)c4[nH+]3)oc21 ZINC000673725347 1129812200 /nfs/dbraw/zinc/81/22/00/1129812200.db2.gz CZQNGPJMZJIOFP-UHFFFAOYSA-N 1 2 333.391 3.670 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC/C=C/c3ccccc3)[nH+]c12 ZINC000673725091 1129812263 /nfs/dbraw/zinc/81/22/63/1129812263.db2.gz RWYZRNJGIIQSHT-VZUCSPMQSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CCc3cc(Cl)cs3)[nH+]c12 ZINC000673726706 1129813924 /nfs/dbraw/zinc/81/39/24/1129813924.db2.gz WQWFJYFKIGPRDG-UHFFFAOYSA-N 1 2 347.871 3.649 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316811 1129823708 /nfs/dbraw/zinc/82/37/08/1129823708.db2.gz OGKXEAQLSYUFOV-SJORKVTESA-N 1 2 343.389 3.894 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316811 1129823711 /nfs/dbraw/zinc/82/37/11/1129823711.db2.gz OGKXEAQLSYUFOV-SJORKVTESA-N 1 2 343.389 3.894 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1C ZINC000673746679 1129825312 /nfs/dbraw/zinc/82/53/12/1129825312.db2.gz BMHGCWWBKXFOCA-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@@H](c3ccccc3)C3CC3)[nH+]c12 ZINC000673769885 1129842001 /nfs/dbraw/zinc/84/20/01/1129842001.db2.gz MHARMCLEGBAKFO-IBGZPJMESA-N 1 2 348.450 3.636 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H](C)c3cccs3)[nH+]c12 ZINC000673780007 1129842680 /nfs/dbraw/zinc/84/26/80/1129842680.db2.gz RPMWVKBJNXRRSG-AWEZNQCLSA-N 1 2 342.468 3.649 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673781360 1129842831 /nfs/dbraw/zinc/84/28/31/1129842831.db2.gz UBMIFCGPGJGTBM-YJBOKZPZSA-N 1 2 342.487 3.795 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776555 1129844483 /nfs/dbraw/zinc/84/44/83/1129844483.db2.gz IBNIPLBICHTYPQ-CRAIPNDOSA-N 1 2 342.487 3.795 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@@H](C)c4ccccc43)[nH+]c12 ZINC000673776246 1129845142 /nfs/dbraw/zinc/84/51/42/1129845142.db2.gz HZCDJUICYRQIBZ-OAHLLOKOSA-N 1 2 334.423 3.519 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000226507409 1129845151 /nfs/dbraw/zinc/84/51/51/1129845151.db2.gz OTUUYTCFKAMZQG-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000226507409 1129845154 /nfs/dbraw/zinc/84/51/54/1129845154.db2.gz OTUUYTCFKAMZQG-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1cn2cc(NC(=O)C3CC(OCc4ccccc4)C3)ccc2[nH+]1 ZINC000673797497 1129848823 /nfs/dbraw/zinc/84/88/23/1129848823.db2.gz VTQVXTMEXDVAAS-UHFFFAOYSA-N 1 2 335.407 3.577 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCCn1cc[nH+]c1 ZINC000766039524 1129889168 /nfs/dbraw/zinc/88/91/68/1129889168.db2.gz YXGZOWRHKRIVDX-UHFFFAOYSA-N 1 2 325.456 3.940 20 0 EHADLO C[C@H]([NH2+]CCOCc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000673893151 1129898796 /nfs/dbraw/zinc/89/87/96/1129898796.db2.gz BIVATFGHWDVRCJ-INIZCTEOSA-N 1 2 337.423 3.528 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ncc(Cl)s1)c1cccc(Cl)c1 ZINC000673938056 1129911584 /nfs/dbraw/zinc/91/15/84/1129911584.db2.gz KGQQJBGWXWRPQK-LLVKDONJSA-N 1 2 330.240 3.691 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008467 1129955510 /nfs/dbraw/zinc/95/55/10/1129955510.db2.gz BDLAFCRAFITWLD-OXJNMPFZSA-N 1 2 340.442 3.628 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008467 1129955514 /nfs/dbraw/zinc/95/55/14/1129955514.db2.gz BDLAFCRAFITWLD-OXJNMPFZSA-N 1 2 340.442 3.628 20 0 EHADLO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1noc(Cc2ccccc2)n1 ZINC000543547751 1129959785 /nfs/dbraw/zinc/95/97/85/1129959785.db2.gz FGXQYTHPTREFQF-CQSZACIVSA-N 1 2 341.386 3.529 20 0 EHADLO COc1ncc(Br)cc1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654187 1129969620 /nfs/dbraw/zinc/96/96/20/1129969620.db2.gz QZCLPRZLIUMKNJ-AOOOYVTPSA-N 1 2 349.219 3.576 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654187 1129969624 /nfs/dbraw/zinc/96/96/24/1129969624.db2.gz QZCLPRZLIUMKNJ-AOOOYVTPSA-N 1 2 349.219 3.576 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000625724068 1129992263 /nfs/dbraw/zinc/99/22/63/1129992263.db2.gz BWRBJSUVIMYCFO-UHFFFAOYSA-N 1 2 334.213 3.549 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000625724068 1129992264 /nfs/dbraw/zinc/99/22/64/1129992264.db2.gz BWRBJSUVIMYCFO-UHFFFAOYSA-N 1 2 334.213 3.549 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)C1CCCC1 ZINC000674134110 1130014240 /nfs/dbraw/zinc/01/42/40/1130014240.db2.gz FXAAZZBGPIOXRM-CVEARBPZSA-N 1 2 332.463 3.857 20 0 EHADLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCCCC2 ZINC000674282642 1130052396 /nfs/dbraw/zinc/05/23/96/1130052396.db2.gz JVAFAJKNQLDBOY-HZPDHXFCSA-N 1 2 342.443 3.584 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1F ZINC000171268348 1130041109 /nfs/dbraw/zinc/04/11/09/1130041109.db2.gz IKACQWQZYIDEQH-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335881 1130067557 /nfs/dbraw/zinc/06/75/57/1130067557.db2.gz RRWTWPNDRUSLGJ-WMZOPIPTSA-N 1 2 334.467 3.706 20 0 EHADLO CC(C)n1ccc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000172011630 1130100687 /nfs/dbraw/zinc/10/06/87/1130100687.db2.gz HASXSZKAENHIQZ-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CC(C)n1ccc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000172011630 1130100690 /nfs/dbraw/zinc/10/06/90/1130100690.db2.gz HASXSZKAENHIQZ-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000172043506 1130101533 /nfs/dbraw/zinc/10/15/33/1130101533.db2.gz AECHEHUQEKIPCH-UHFFFAOYSA-N 1 2 338.436 3.850 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CSc3ccccc32)c1C ZINC000172377939 1130128558 /nfs/dbraw/zinc/12/85/58/1130128558.db2.gz LBEYZGUBKRERRS-OAHLLOKOSA-N 1 2 342.464 3.555 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000675257491 1130298719 /nfs/dbraw/zinc/29/87/19/1130298719.db2.gz KWWMOLORZMGNAK-CRAIPNDOSA-N 1 2 345.874 3.887 20 0 EHADLO FC(F)(F)Oc1cc(-c2noc(Cn3cc[nH+]c3)n2)ccc1Cl ZINC001212536440 1130322346 /nfs/dbraw/zinc/32/23/46/1130322346.db2.gz GWIANMIFSLIPKU-UHFFFAOYSA-N 1 2 344.680 3.533 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccc(C)nc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000675515589 1130417451 /nfs/dbraw/zinc/41/74/51/1130417451.db2.gz FWSLAJOYIUBYJS-HNNXBMFYSA-N 1 2 336.439 3.840 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccc(C)nc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000675515589 1130417456 /nfs/dbraw/zinc/41/74/56/1130417456.db2.gz FWSLAJOYIUBYJS-HNNXBMFYSA-N 1 2 336.439 3.840 20 0 EHADLO Cc1cnc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)o1 ZINC000675626530 1130433529 /nfs/dbraw/zinc/43/35/29/1130433529.db2.gz URMASEIZJMZYNG-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1cnc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)o1 ZINC000675626530 1130433537 /nfs/dbraw/zinc/43/35/37/1130433537.db2.gz URMASEIZJMZYNG-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cc(F)cc(Cl)c1 ZINC000675695232 1130454415 /nfs/dbraw/zinc/45/44/15/1130454415.db2.gz GZJJYHFKGKBKPC-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO CC1(c2ccccc2)CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000676073175 1130527265 /nfs/dbraw/zinc/52/72/65/1130527265.db2.gz AHHANGKAOZWOIT-UHFFFAOYSA-N 1 2 325.456 3.680 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Cl)ccc1Br ZINC000676106936 1130531360 /nfs/dbraw/zinc/53/13/60/1130531360.db2.gz NHVSMKUNWDKCNJ-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO CCCCn1c(SC[C@@H]2CCCOC2)nnc1[C@@H](CC)[NH+](C)C ZINC000676234995 1130551468 /nfs/dbraw/zinc/55/14/68/1130551468.db2.gz XSOSQGDZOOCXTH-HUUCEWRRSA-N 1 2 340.537 3.610 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@H]2CC)nc1-c1ccncc1 ZINC000727822932 1130600591 /nfs/dbraw/zinc/60/05/91/1130600591.db2.gz FNFMDCHOSDPHBT-OAHLLOKOSA-N 1 2 331.489 3.718 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@H]2CC)nc1-c1ccncc1 ZINC000727822932 1130600594 /nfs/dbraw/zinc/60/05/94/1130600594.db2.gz FNFMDCHOSDPHBT-OAHLLOKOSA-N 1 2 331.489 3.718 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728046235 1130621374 /nfs/dbraw/zinc/62/13/74/1130621374.db2.gz VBKSOXLTRREPGD-CQSZACIVSA-N 1 2 330.497 3.823 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000728046235 1130621376 /nfs/dbraw/zinc/62/13/76/1130621376.db2.gz VBKSOXLTRREPGD-CQSZACIVSA-N 1 2 330.497 3.823 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000168207615 1130632163 /nfs/dbraw/zinc/63/21/63/1130632163.db2.gz OCHGPZNHBKMKIQ-JQWIXIFHSA-N 1 2 343.406 3.731 20 0 EHADLO COc1ccccc1C/C(C)=C\C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000730178814 1130684250 /nfs/dbraw/zinc/68/42/50/1130684250.db2.gz OBMRUTZAQIAULH-KAMYIIQDSA-N 1 2 335.407 3.779 20 0 EHADLO CCOCC[N@H+](CC)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000730802104 1130738873 /nfs/dbraw/zinc/73/88/73/1130738873.db2.gz GHJDCJUQWCSWSO-UHFFFAOYSA-N 1 2 327.881 3.679 20 0 EHADLO CCOCC[N@@H+](CC)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000730802104 1130738876 /nfs/dbraw/zinc/73/88/76/1130738876.db2.gz GHJDCJUQWCSWSO-UHFFFAOYSA-N 1 2 327.881 3.679 20 0 EHADLO CCCC[C@@H](CC)CCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001273238460 1130779599 /nfs/dbraw/zinc/77/95/99/1130779599.db2.gz DHLIKTKMNKUTFO-QGZVFWFLSA-N 1 2 331.504 3.656 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731399104 1130796669 /nfs/dbraw/zinc/79/66/69/1130796669.db2.gz BBGHYVMBKBVOPN-BHIYHBOVSA-N 1 2 347.503 3.524 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732061225 1130882301 /nfs/dbraw/zinc/88/23/01/1130882301.db2.gz JVILTIXMEAYQGS-SFHVURJKSA-N 1 2 336.439 3.723 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732988891 1130979597 /nfs/dbraw/zinc/97/95/97/1130979597.db2.gz KTFAEWQWBHMBPO-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732988891 1130979602 /nfs/dbraw/zinc/97/96/02/1130979602.db2.gz KTFAEWQWBHMBPO-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000733294301 1131023311 /nfs/dbraw/zinc/02/33/11/1131023311.db2.gz ACIOSLKKUKOWTG-NSHDSACASA-N 1 2 327.255 3.784 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000733294301 1131023318 /nfs/dbraw/zinc/02/33/18/1131023318.db2.gz ACIOSLKKUKOWTG-NSHDSACASA-N 1 2 327.255 3.784 20 0 EHADLO O=C(/C=C\c1ccccc1OC(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000733880840 1131089492 /nfs/dbraw/zinc/08/94/92/1131089492.db2.gz JOJWKFYXSGPZEK-YVMONPNESA-N 1 2 347.296 3.885 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nnc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348054110 1131130368 /nfs/dbraw/zinc/13/03/68/1131130368.db2.gz UVZCTBDRMFEMMC-YPMHNXCESA-N 1 2 345.472 3.950 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000282651856 1131132654 /nfs/dbraw/zinc/13/26/54/1131132654.db2.gz DSUGQZGGPVJEJD-IYOUNJFTSA-N 1 2 339.439 3.638 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCn1cc(Br)cn1 ZINC000348075059 1131140487 /nfs/dbraw/zinc/14/04/87/1131140487.db2.gz FIZLSMPYDCRYMU-SNVBAGLBSA-N 1 2 344.203 3.617 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc(Br)cn1 ZINC000348075059 1131140490 /nfs/dbraw/zinc/14/04/90/1131140490.db2.gz FIZLSMPYDCRYMU-SNVBAGLBSA-N 1 2 344.203 3.617 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1 ZINC000733901996 1131164706 /nfs/dbraw/zinc/16/47/06/1131164706.db2.gz KATOKFBWIKKSQJ-UHFFFAOYSA-N 1 2 330.229 3.695 20 0 EHADLO CC[N@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCC1 ZINC000738056052 1131462383 /nfs/dbraw/zinc/46/23/83/1131462383.db2.gz WGCJKVWDWRVLMT-UHFFFAOYSA-N 1 2 335.521 3.571 20 0 EHADLO CC[N@@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCC1 ZINC000738056052 1131462386 /nfs/dbraw/zinc/46/23/86/1131462386.db2.gz WGCJKVWDWRVLMT-UHFFFAOYSA-N 1 2 335.521 3.571 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCO[C@@H](C)C3)c2=S)cc1C ZINC000738156595 1131463095 /nfs/dbraw/zinc/46/30/95/1131463095.db2.gz DICMJHOGRPVJKU-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCO[C@@H](C)C3)c2=S)cc1C ZINC000738156595 1131463097 /nfs/dbraw/zinc/46/30/97/1131463097.db2.gz DICMJHOGRPVJKU-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000738225788 1131463736 /nfs/dbraw/zinc/46/37/36/1131463736.db2.gz UJTLGIGJJVUKHD-ZDUSSCGKSA-N 1 2 334.464 3.979 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000738225788 1131463738 /nfs/dbraw/zinc/46/37/38/1131463738.db2.gz UJTLGIGJJVUKHD-ZDUSSCGKSA-N 1 2 334.464 3.979 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000738324971 1131468206 /nfs/dbraw/zinc/46/82/06/1131468206.db2.gz YDTDRABTKXZYRW-OAHLLOKOSA-N 1 2 346.430 3.931 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000738324971 1131468208 /nfs/dbraw/zinc/46/82/08/1131468208.db2.gz YDTDRABTKXZYRW-OAHLLOKOSA-N 1 2 346.430 3.931 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000740475604 1131532213 /nfs/dbraw/zinc/53/22/13/1131532213.db2.gz ZAQABTQOSYQXBF-QGZVFWFLSA-N 1 2 326.444 3.737 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCOC(C)C)C1 ZINC000740858721 1131549271 /nfs/dbraw/zinc/54/92/71/1131549271.db2.gz YZSYUBUJDMQAKB-HNNXBMFYSA-N 1 2 340.533 3.519 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCOC(C)C)C1 ZINC000740858721 1131549277 /nfs/dbraw/zinc/54/92/77/1131549277.db2.gz YZSYUBUJDMQAKB-HNNXBMFYSA-N 1 2 340.533 3.519 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)cc1OC ZINC000740861649 1131549756 /nfs/dbraw/zinc/54/97/56/1131549756.db2.gz XIPABOPLIKHUPR-NWDGAFQWSA-N 1 2 349.456 3.578 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)cc1OC ZINC000740861649 1131549759 /nfs/dbraw/zinc/54/97/59/1131549759.db2.gz XIPABOPLIKHUPR-NWDGAFQWSA-N 1 2 349.456 3.578 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861168 1131553685 /nfs/dbraw/zinc/55/36/85/1131553685.db2.gz VACBZZYAQJHWPB-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861168 1131553690 /nfs/dbraw/zinc/55/36/90/1131553690.db2.gz VACBZZYAQJHWPB-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000741029346 1131571528 /nfs/dbraw/zinc/57/15/28/1131571528.db2.gz NSFFBWFCBJDEEM-JKSUJKDBSA-N 1 2 343.467 3.554 20 0 EHADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145004 1131583087 /nfs/dbraw/zinc/58/30/87/1131583087.db2.gz IVFODXKSQBUSFC-RISCZKNCSA-N 1 2 337.370 3.520 20 0 EHADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145004 1131583091 /nfs/dbraw/zinc/58/30/91/1131583091.db2.gz IVFODXKSQBUSFC-RISCZKNCSA-N 1 2 337.370 3.520 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccccc1Oc1cccnc1 ZINC000741972134 1131677723 /nfs/dbraw/zinc/67/77/23/1131677723.db2.gz ZJCJUHIEEHDYLG-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000742015133 1131680359 /nfs/dbraw/zinc/68/03/59/1131680359.db2.gz ZDDLMWXOWPXQIX-SZGUKTLCSA-N 1 2 332.875 3.902 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)nc1C(F)(F)F ZINC000742156087 1131693801 /nfs/dbraw/zinc/69/38/01/1131693801.db2.gz WBXQPYIKJYYUEU-NEPJUHHUSA-N 1 2 347.381 3.547 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)nc1C(F)(F)F ZINC000742156087 1131693803 /nfs/dbraw/zinc/69/38/03/1131693803.db2.gz WBXQPYIKJYYUEU-NEPJUHHUSA-N 1 2 347.381 3.547 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153447 1131694182 /nfs/dbraw/zinc/69/41/82/1131694182.db2.gz PNFSXXWPXGKECR-CHWSQXEVSA-N 1 2 328.485 3.784 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153447 1131694183 /nfs/dbraw/zinc/69/41/83/1131694183.db2.gz PNFSXXWPXGKECR-CHWSQXEVSA-N 1 2 328.485 3.784 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000742160494 1131695315 /nfs/dbraw/zinc/69/53/15/1131695315.db2.gz CZNIYZUMSRVONQ-LJQANCHMSA-N 1 2 343.377 3.654 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000742160494 1131695318 /nfs/dbraw/zinc/69/53/18/1131695318.db2.gz CZNIYZUMSRVONQ-LJQANCHMSA-N 1 2 343.377 3.654 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000742369724 1131716184 /nfs/dbraw/zinc/71/61/84/1131716184.db2.gz PGQQXYVDCMGMEG-SECBINFHSA-N 1 2 342.367 3.632 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)CCOCC(C)C)c1nnc(C)o1 ZINC001172472863 1131734568 /nfs/dbraw/zinc/73/45/68/1131734568.db2.gz QYFMMROQNQKVAR-KBXCAEBGSA-N 1 2 347.459 3.517 20 0 EHADLO Nc1ccccc1N(c1ccccc1)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668299 1131785018 /nfs/dbraw/zinc/78/50/18/1131785018.db2.gz SCLHWSUCVMSCJW-UHFFFAOYSA-N 1 2 345.446 3.915 20 0 EHADLO COC(=O)[C@H](COCc1ccccc1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724730 1131825500 /nfs/dbraw/zinc/82/55/00/1131825500.db2.gz YOVKDWXFKLUTAX-IBGZPJMESA-N 1 2 345.483 3.837 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172856725 1131875000 /nfs/dbraw/zinc/87/50/00/1131875000.db2.gz NNNXTFVARHMWPA-NHYWBVRUSA-N 1 2 347.883 3.685 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001172870304 1131889484 /nfs/dbraw/zinc/88/94/84/1131889484.db2.gz WJFUOMIAIREXIR-GFCCVEGCSA-N 1 2 346.824 3.825 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000743365167 1131902231 /nfs/dbraw/zinc/90/22/31/1131902231.db2.gz DBTVDYSCLHPEQM-FUHWJXTLSA-N 1 2 332.513 3.691 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000743365167 1131902236 /nfs/dbraw/zinc/90/22/36/1131902236.db2.gz DBTVDYSCLHPEQM-FUHWJXTLSA-N 1 2 332.513 3.691 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CCCC(C)(C)C1 ZINC000743366501 1131902994 /nfs/dbraw/zinc/90/29/94/1131902994.db2.gz OKBZCILOMVYRJB-UHFFFAOYSA-N 1 2 330.428 3.513 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CCCC(C)(C)C1 ZINC000743366501 1131902999 /nfs/dbraw/zinc/90/29/99/1131902999.db2.gz OKBZCILOMVYRJB-UHFFFAOYSA-N 1 2 330.428 3.513 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(Cc2ccncc2)n1 ZINC001212693194 1131906520 /nfs/dbraw/zinc/90/65/20/1131906520.db2.gz HZNLTAIQQWSULA-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO Cc1nc(Br)cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693340 1131907228 /nfs/dbraw/zinc/90/72/28/1131907228.db2.gz QFOLBRVRUDEJIW-UHFFFAOYSA-N 1 2 344.216 3.536 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000743386164 1131907343 /nfs/dbraw/zinc/90/73/43/1131907343.db2.gz CYQGCHNEBWUZNF-AWEZNQCLSA-N 1 2 346.780 3.845 20 0 EHADLO CCOc1nn(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c(=S)s1 ZINC000743401405 1131913256 /nfs/dbraw/zinc/91/32/56/1131913256.db2.gz ZDWQRZZDBNLFEY-QWRGUYRKSA-N 1 2 333.548 3.636 20 0 EHADLO CCOc1nn(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c(=S)s1 ZINC000743401405 1131913260 /nfs/dbraw/zinc/91/32/60/1131913260.db2.gz ZDWQRZZDBNLFEY-QWRGUYRKSA-N 1 2 333.548 3.636 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(OCC2CC2)CC1 ZINC000743405694 1131916772 /nfs/dbraw/zinc/91/67/72/1131916772.db2.gz BXFCCNPPUPCVNU-UHFFFAOYSA-N 1 2 336.435 3.649 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000180976751 1131928605 /nfs/dbraw/zinc/92/86/05/1131928605.db2.gz XYPPNDPQZZALPV-NBQZKYEYSA-N 1 2 343.471 3.694 20 0 EHADLO COC(=O)Cc1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699958 1131934080 /nfs/dbraw/zinc/93/40/80/1131934080.db2.gz MMQRJVPIHUYHMB-UHFFFAOYSA-N 1 2 339.370 3.530 20 0 EHADLO Cc1ccc(F)c(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000743573435 1131944728 /nfs/dbraw/zinc/94/47/28/1131944728.db2.gz XXFHVGRJBKKRLA-HNNXBMFYSA-N 1 2 334.464 3.732 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)CCO1 ZINC000743840679 1131983387 /nfs/dbraw/zinc/98/33/87/1131983387.db2.gz QILJKFGFAVHBKM-LBPRGKRZSA-N 1 2 335.391 3.918 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)CCO1 ZINC000743840679 1131983392 /nfs/dbraw/zinc/98/33/92/1131983392.db2.gz QILJKFGFAVHBKM-LBPRGKRZSA-N 1 2 335.391 3.918 20 0 EHADLO C[N@@H+](Cc1cccc(Br)c1)Cn1ccc(C(F)(F)F)n1 ZINC000744141771 1132028210 /nfs/dbraw/zinc/02/82/10/1132028210.db2.gz PRARARDZIMBZKQ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1cccc(Br)c1)Cn1ccc(C(F)(F)F)n1 ZINC000744141771 1132028218 /nfs/dbraw/zinc/02/82/18/1132028218.db2.gz PRARARDZIMBZKQ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC[N@@H+]1C ZINC000742193302 1132093388 /nfs/dbraw/zinc/09/33/88/1132093388.db2.gz AQSCIPJCRHUANV-HIFRSBDPSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC[N@H+]1C ZINC000742193302 1132093396 /nfs/dbraw/zinc/09/33/96/1132093396.db2.gz AQSCIPJCRHUANV-HIFRSBDPSA-N 1 2 334.529 3.675 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443716 1132101181 /nfs/dbraw/zinc/10/11/81/1132101181.db2.gz NFJCJWMKOXNQOU-WCQYABFASA-N 1 2 337.880 3.530 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443716 1132101184 /nfs/dbraw/zinc/10/11/84/1132101184.db2.gz NFJCJWMKOXNQOU-WCQYABFASA-N 1 2 337.880 3.530 20 0 EHADLO COc1cc(OC)c(Nc2cc(Cl)c3[nH+]ccn3c2)c(OC)c1 ZINC001173908620 1132170358 /nfs/dbraw/zinc/17/03/58/1132170358.db2.gz JWNLXFSQEZYMAB-UHFFFAOYSA-N 1 2 333.775 3.757 20 0 EHADLO CCC(C)(C)CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962738 1132172700 /nfs/dbraw/zinc/17/27/00/1132172700.db2.gz CKGWGZZJUSLSKU-GOSISDBHSA-N 1 2 333.472 3.554 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745079103 1132195082 /nfs/dbraw/zinc/19/50/82/1132195082.db2.gz JVIBPKPMDLECOS-HNNXBMFYSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745079103 1132195085 /nfs/dbraw/zinc/19/50/85/1132195085.db2.gz JVIBPKPMDLECOS-HNNXBMFYSA-N 1 2 334.803 3.523 20 0 EHADLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC001174020263 1132217165 /nfs/dbraw/zinc/21/71/65/1132217165.db2.gz DBLITQYBPWCEEP-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC1CCN(C(=O)c2ccc(Nc3cccn4cc[nH+]c34)cc2)CC1 ZINC001174157736 1132259900 /nfs/dbraw/zinc/25/99/00/1132259900.db2.gz NPHQLYLVZSNFGY-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC001174158264 1132259920 /nfs/dbraw/zinc/25/99/20/1132259920.db2.gz DWMJWEAWZHAGPQ-UHFFFAOYSA-N 1 2 325.412 3.711 20 0 EHADLO CCN(C)c1ccc(Nc2cccc(C(=O)N3CCCCC3)c2)c[nH+]1 ZINC001174176417 1132269577 /nfs/dbraw/zinc/26/95/77/1132269577.db2.gz AHZWWOOYYDYAOA-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CC1CCN(C(=O)c2cccc(Nc3cccn4cc[nH+]c34)c2)CC1 ZINC001174202804 1132283861 /nfs/dbraw/zinc/28/38/61/1132283861.db2.gz CHDMTRSDCRFEBP-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCc1ccccc1)C1CC1 ZINC000745892717 1132328815 /nfs/dbraw/zinc/32/88/15/1132328815.db2.gz KKRDANYPPOYUAJ-UHFFFAOYSA-N 1 2 331.419 3.720 20 0 EHADLO COC(=O)c1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1Br ZINC001174411276 1132366208 /nfs/dbraw/zinc/36/62/08/1132366208.db2.gz RVSYURQCHHUYOZ-UHFFFAOYSA-N 1 2 346.184 3.807 20 0 EHADLO Nc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)c(F)c1 ZINC001174479159 1132381738 /nfs/dbraw/zinc/38/17/38/1132381738.db2.gz JBTLBRIYKLQKNF-UHFFFAOYSA-N 1 2 332.176 3.884 20 0 EHADLO COC(=O)c1c(Cl)nccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522641 1132400675 /nfs/dbraw/zinc/40/06/75/1132400675.db2.gz QEAWMTQCUWSGBA-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO Cc1sc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C(N)=O)c1C ZINC001174523668 1132400691 /nfs/dbraw/zinc/40/06/91/1132400691.db2.gz VCJCJASOZZMGNI-UHFFFAOYSA-N 1 2 330.457 3.593 20 0 EHADLO Oc1ccc(-c2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)cn2)cc1 ZINC001174523046 1132400735 /nfs/dbraw/zinc/40/07/35/1132400735.db2.gz USWMNAUJQSRWOM-UHFFFAOYSA-N 1 2 347.422 3.978 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cn(Cc2ccc(OC)cc2)nc1C ZINC001174576153 1132403815 /nfs/dbraw/zinc/40/38/15/1132403815.db2.gz JIYFEDYVXPETAH-UHFFFAOYSA-N 1 2 338.411 3.786 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1c[nH]c(-c2ccccc2)n1 ZINC000185844717 1132418255 /nfs/dbraw/zinc/41/82/55/1132418255.db2.gz CBSNFLDIHNDZEA-UHFFFAOYSA-N 1 2 347.422 3.685 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000188519866 1132436182 /nfs/dbraw/zinc/43/61/82/1132436182.db2.gz DSIZTPWLNWXVEZ-UHFFFAOYSA-N 1 2 333.435 3.614 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000188519866 1132436185 /nfs/dbraw/zinc/43/61/85/1132436185.db2.gz DSIZTPWLNWXVEZ-UHFFFAOYSA-N 1 2 333.435 3.614 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncc(Br)s1 ZINC000188820828 1132438510 /nfs/dbraw/zinc/43/85/10/1132438510.db2.gz BFRCQQGEFBBBSL-UHFFFAOYSA-N 1 2 349.213 3.548 20 0 EHADLO c1cc2c(cccc2Nc2ccc(OCC[NH+]3CCOCC3)cc2)[nH]1 ZINC001174649387 1132439061 /nfs/dbraw/zinc/43/90/61/1132439061.db2.gz VTCMRSBVHVUTLG-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000746322627 1132440322 /nfs/dbraw/zinc/44/03/22/1132440322.db2.gz LWUXWGWWGLTLTI-HYXAFXHYSA-N 1 2 348.846 3.603 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000746322627 1132440325 /nfs/dbraw/zinc/44/03/25/1132440325.db2.gz LWUXWGWWGLTLTI-HYXAFXHYSA-N 1 2 348.846 3.603 20 0 EHADLO Cc1nc(Nc2ccc3cc[nH]c3c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001174747642 1132465717 /nfs/dbraw/zinc/46/57/17/1132465717.db2.gz HZVYZRNFDPBNNK-CHWSQXEVSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc3cc[nH]c3c2)[nH+]1 ZINC001174747642 1132465723 /nfs/dbraw/zinc/46/57/23/1132465723.db2.gz HZVYZRNFDPBNNK-CHWSQXEVSA-N 1 2 337.427 3.624 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(F)c(C)cc1F ZINC000192254670 1132469582 /nfs/dbraw/zinc/46/95/82/1132469582.db2.gz GPFNTOJRUAABED-UHFFFAOYSA-N 1 2 335.398 3.585 20 0 EHADLO Clc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1I ZINC001174798164 1132476613 /nfs/dbraw/zinc/47/66/13/1132476613.db2.gz MLPAKOXXPZQKLQ-QWRGUYRKSA-N 1 2 347.627 3.786 20 0 EHADLO Clc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1I ZINC001174798164 1132476609 /nfs/dbraw/zinc/47/66/09/1132476609.db2.gz MLPAKOXXPZQKLQ-QWRGUYRKSA-N 1 2 347.627 3.786 20 0 EHADLO CCOc1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)ccc1Cl ZINC001212578441 1132502985 /nfs/dbraw/zinc/50/29/85/1132502985.db2.gz YJRFKAWLIFHPSA-UHFFFAOYSA-N 1 2 347.846 3.838 20 0 EHADLO COCc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC001174917575 1132504901 /nfs/dbraw/zinc/50/49/01/1132504901.db2.gz FOHGQQCZPSRLMH-GASCZTMLSA-N 1 2 327.428 3.585 20 0 EHADLO c1ccc(Oc2cccnc2)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976883 1132511024 /nfs/dbraw/zinc/51/10/24/1132511024.db2.gz GUMAEUPQZRLRFN-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(C)s1 ZINC000390390941 1132514527 /nfs/dbraw/zinc/51/45/27/1132514527.db2.gz JCUZPFLWOPPJAL-ZDUSSCGKSA-N 1 2 326.469 3.856 20 0 EHADLO COc1cc(F)cc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001175008035 1132529006 /nfs/dbraw/zinc/52/90/06/1132529006.db2.gz OXOKISVAOJASBY-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cc1ccc2c(c1C)OC[C@@H]2Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766404606 1132531714 /nfs/dbraw/zinc/53/17/14/1132531714.db2.gz HAQHZJZQAFLUNG-HNNXBMFYSA-N 1 2 337.427 3.744 20 0 EHADLO Clc1cnc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2c1 ZINC001174979671 1132534156 /nfs/dbraw/zinc/53/41/56/1132534156.db2.gz QEOJWLUNFZLJPS-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC001174983786 1132534940 /nfs/dbraw/zinc/53/49/40/1132534940.db2.gz LAIHLZIOOIFETD-VQTJNVASSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC001174983786 1132534945 /nfs/dbraw/zinc/53/49/45/1132534945.db2.gz LAIHLZIOOIFETD-VQTJNVASSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC001174983779 1132535318 /nfs/dbraw/zinc/53/53/18/1132535318.db2.gz LAIHLZIOOIFETD-PMACEKPBSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC001174983779 1132535321 /nfs/dbraw/zinc/53/53/21/1132535321.db2.gz LAIHLZIOOIFETD-PMACEKPBSA-N 1 2 349.478 3.969 20 0 EHADLO CC(=O)c1ccccc1Nc1cccc(F)c1N1CC[NH+](C)CC1 ZINC001175180351 1132589855 /nfs/dbraw/zinc/58/98/55/1132589855.db2.gz NYUPLUINDPYFTD-UHFFFAOYSA-N 1 2 327.403 3.524 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NCCn3nnc4ccccc43)c2)cc1 ZINC001168925086 1132607581 /nfs/dbraw/zinc/60/75/81/1132607581.db2.gz FKTKEZFKKAWOLW-UHFFFAOYSA-N 1 2 329.407 3.914 20 0 EHADLO COc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C1CC1 ZINC000766547204 1132615805 /nfs/dbraw/zinc/61/58/05/1132615805.db2.gz KPKMPMFFJGVOBU-UHFFFAOYSA-N 1 2 340.423 3.523 20 0 EHADLO COC(=O)c1c(Cl)cc(Nc2ccc(N(C)C)[nH+]c2)cc1Cl ZINC001175343580 1132627681 /nfs/dbraw/zinc/62/76/81/1132627681.db2.gz JHOUMVBJSVTBFO-UHFFFAOYSA-N 1 2 340.210 3.985 20 0 EHADLO COc1ccnc(Br)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347492 1132628713 /nfs/dbraw/zinc/62/87/13/1132628713.db2.gz LZIUZWKJQXJSIH-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Brc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC001175347299 1132629575 /nfs/dbraw/zinc/62/95/75/1132629575.db2.gz HKHSSDODMIYESP-UHFFFAOYSA-N 1 2 325.235 3.644 20 0 EHADLO CCOC(=O)CCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175348675 1132629953 /nfs/dbraw/zinc/62/99/53/1132629953.db2.gz HOJMDPOVXNGQLC-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO S=c1nc(-c2cccc(NCCc3cn4ccccc4[nH+]3)c2)cc[nH]1 ZINC001169009864 1132631350 /nfs/dbraw/zinc/63/13/50/1132631350.db2.gz WLDWIZKGRNYOLQ-UHFFFAOYSA-N 1 2 347.447 3.735 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)c1nnc2ccccn21 ZINC001169024357 1132640487 /nfs/dbraw/zinc/64/04/87/1132640487.db2.gz LQSOOUZNLWOLRZ-LBPRGKRZSA-N 1 2 337.814 3.782 20 0 EHADLO CN(C)c1ccc(Nc2ccc(Br)nc2Cl)c[nH+]1 ZINC001175338626 1132643123 /nfs/dbraw/zinc/64/31/23/1132643123.db2.gz JCSSLFMHOMGCJC-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CN(c1ccc(N2CCCC2)[nH+]c1)c1c(N)cccc1Br ZINC001175350762 1132645478 /nfs/dbraw/zinc/64/54/78/1132645478.db2.gz HROYXDKSQQOFEU-UHFFFAOYSA-N 1 2 347.260 3.794 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175351978 1132646322 /nfs/dbraw/zinc/64/63/22/1132646322.db2.gz FXQFIXPOXNBWAR-UHFFFAOYSA-N 1 2 343.402 3.670 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1N1CCOCC1 ZINC001175352881 1132647218 /nfs/dbraw/zinc/64/72/18/1132647218.db2.gz VTRQIVNPTAMIQA-UHFFFAOYSA-N 1 2 338.455 3.570 20 0 EHADLO CC[C@@H]1C[C@H]1C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175503913 1132691392 /nfs/dbraw/zinc/69/13/92/1132691392.db2.gz SVGRDOAMKRDGGB-GBIKHYSHSA-N 1 2 346.290 3.703 20 0 EHADLO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175503913 1132691399 /nfs/dbraw/zinc/69/13/99/1132691399.db2.gz SVGRDOAMKRDGGB-GBIKHYSHSA-N 1 2 346.290 3.703 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NC1CCN(c2ncccc2Cl)CC1 ZINC001169171728 1132691962 /nfs/dbraw/zinc/69/19/62/1132691962.db2.gz RFCRJDZDEMVAHN-UHFFFAOYSA-N 1 2 346.862 3.998 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001169216676 1132697889 /nfs/dbraw/zinc/69/78/89/1132697889.db2.gz KHKWLQPMOCIZHN-CABCVRRESA-N 1 2 342.870 3.964 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001169216676 1132697893 /nfs/dbraw/zinc/69/78/93/1132697893.db2.gz KHKWLQPMOCIZHN-CABCVRRESA-N 1 2 342.870 3.964 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1c2c[nH]nc2ccc1C ZINC001175525881 1132699212 /nfs/dbraw/zinc/69/92/12/1132699212.db2.gz JZGRHHLGNOXMFP-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@H]3C[C@H](C)c4ccccc43)c12 ZINC001169373881 1132736629 /nfs/dbraw/zinc/73/66/29/1132736629.db2.gz LBLWLFLJTYYENL-SJCJKPOMSA-N 1 2 335.407 3.939 20 0 EHADLO COCCCOc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175713219 1132740383 /nfs/dbraw/zinc/74/03/83/1132740383.db2.gz XDNJDMPZFNUJEM-UHFFFAOYSA-N 1 2 341.333 3.842 20 0 EHADLO CC(=O)c1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc(C(C)=O)c1 ZINC001175713665 1132740744 /nfs/dbraw/zinc/74/07/44/1132740744.db2.gz KCPZJIGIJNQFNM-UHFFFAOYSA-N 1 2 337.301 3.831 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)NC(=O)CCC3)c[nH+]1 ZINC001175713954 1132741208 /nfs/dbraw/zinc/74/12/08/1132741208.db2.gz HZTYAMJLSLWHPJ-UHFFFAOYSA-N 1 2 336.317 3.701 20 0 EHADLO Cc1cc(=O)[nH]c2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)ccc12 ZINC001175713941 1132741253 /nfs/dbraw/zinc/74/12/53/1132741253.db2.gz HUGGLFAMTSRFMN-UHFFFAOYSA-N 1 2 334.301 3.988 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCc1ccsc1 ZINC001175749022 1132752313 /nfs/dbraw/zinc/75/23/13/1132752313.db2.gz KWJNGCKUJWGERF-SFHVURJKSA-N 1 2 335.444 3.584 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(-c3cccnc3)ccn2)c[nH+]1 ZINC001175710129 1132755300 /nfs/dbraw/zinc/75/53/00/1132755300.db2.gz URKMBZKKEPVWPQ-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc[nH+]c2N2CCCCC2)cn1 ZINC001175709838 1132755556 /nfs/dbraw/zinc/75/55/56/1132755556.db2.gz MIRNCNVFKWMGJQ-UHFFFAOYSA-N 1 2 337.349 3.812 20 0 EHADLO c1ccc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cn2)cc1 ZINC001175832655 1132770628 /nfs/dbraw/zinc/77/06/28/1132770628.db2.gz JVNFRMOMLBEVCV-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc4c3ccn4C)c[nH+]2)C[C@H](C)O1 ZINC001175863568 1132787010 /nfs/dbraw/zinc/78/70/10/1132787010.db2.gz WBMRTQQKPPMKDH-GASCZTMLSA-N 1 2 336.439 3.931 20 0 EHADLO COC(=O)c1cc(C)nc(Nc2ccc([NH+]3CCC(C)CC3)cc2)n1 ZINC000804332196 1132797045 /nfs/dbraw/zinc/79/70/45/1132797045.db2.gz ZKMMPLUSNLVSJT-UHFFFAOYSA-N 1 2 340.427 3.552 20 0 EHADLO CCOC(=O)C[C@@H](Nc1cc[nH+]c(OCC(C)C)c1)c1cccnc1 ZINC001169678782 1132817009 /nfs/dbraw/zinc/81/70/09/1132817009.db2.gz MZYAFECNKWTQLO-QGZVFWFLSA-N 1 2 343.427 3.618 20 0 EHADLO Brc1cc(Nc2cccc3c2OCC3)c2[nH+]ccn2c1 ZINC001176077504 1132830224 /nfs/dbraw/zinc/83/02/24/1132830224.db2.gz YAZJKFXVCYYLTO-UHFFFAOYSA-N 1 2 330.185 3.775 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c(F)c1F ZINC001176094376 1132833977 /nfs/dbraw/zinc/83/39/77/1132833977.db2.gz ZUHZABONWJEEEI-RYUDHWBXSA-N 1 2 348.397 3.729 20 0 EHADLO COc1cc[nH+]cc1Nc1ccnn1-c1ccc(Br)cc1 ZINC001176119645 1132852193 /nfs/dbraw/zinc/85/21/93/1132852193.db2.gz XSKSDQGYMGOJJM-UHFFFAOYSA-N 1 2 345.200 3.782 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]ccc2OC)cc1C(F)(F)F ZINC001176124177 1132853200 /nfs/dbraw/zinc/85/32/00/1132853200.db2.gz IWPMBBFFLFQBIY-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(-c2csc(NC(C)=O)n2)c1 ZINC001176124920 1132854756 /nfs/dbraw/zinc/85/47/56/1132854756.db2.gz RVRNAXCTVHNMEQ-UHFFFAOYSA-N 1 2 340.408 3.916 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2c(c1Br)C(=O)CC2 ZINC001176125066 1132854891 /nfs/dbraw/zinc/85/48/91/1132854891.db2.gz YMACZBSOMRQUFW-UHFFFAOYSA-N 1 2 333.185 3.725 20 0 EHADLO CNc1ccc(NCc2ccc(Br)c(Cl)n2)c[nH+]1 ZINC001169819317 1132868033 /nfs/dbraw/zinc/86/80/33/1132868033.db2.gz OHEBRLJLDXQFDP-UHFFFAOYSA-N 1 2 327.613 3.546 20 0 EHADLO Cc1cn2c(cccc2Nc2cc(C(=O)N3CCCC3)ccc2F)[nH+]1 ZINC001176206239 1132872774 /nfs/dbraw/zinc/87/27/74/1132872774.db2.gz POVSFNAXPWWIBC-UHFFFAOYSA-N 1 2 338.386 3.761 20 0 EHADLO c1ccc(-c2ccc(CNc3ccc(N4CCOCC4)c[nH+]3)cc2)nc1 ZINC001169889003 1132880738 /nfs/dbraw/zinc/88/07/38/1132880738.db2.gz GOHOBYGVLDXNHQ-UHFFFAOYSA-N 1 2 346.434 3.592 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(N[C@H]3c4ccccc4CNC3=O)c2)cc1 ZINC001169876132 1132887071 /nfs/dbraw/zinc/88/70/71/1132887071.db2.gz JFIGLFJTOQQMKR-FQEVSTJZSA-N 1 2 329.403 3.840 20 0 EHADLO CC(C)c1cc(NC[C@@H](CO)Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC001169897918 1132890790 /nfs/dbraw/zinc/89/07/90/1132890790.db2.gz SUZNZDFYXDLJCV-KRWDZBQOSA-N 1 2 327.472 3.987 20 0 EHADLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1O ZINC001176254336 1132896094 /nfs/dbraw/zinc/89/60/94/1132896094.db2.gz QJIBJTXQQORMFT-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO CCC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H](C)C(=O)OCC ZINC001169933308 1132902015 /nfs/dbraw/zinc/90/20/15/1132902015.db2.gz KJOVPQNNIJLHRW-OAHLLOKOSA-N 1 2 349.471 3.806 20 0 EHADLO CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H](C)C(=O)OCC ZINC001169933308 1132902018 /nfs/dbraw/zinc/90/20/18/1132902018.db2.gz KJOVPQNNIJLHRW-OAHLLOKOSA-N 1 2 349.471 3.806 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCOc3ccccc3[C@H]2CO)c1 ZINC001176442255 1132930861 /nfs/dbraw/zinc/93/08/61/1132930861.db2.gz QJBBHSUYJRIVAQ-MRXNPFEDSA-N 1 2 349.377 3.524 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+]2CCOc3ccccc3[C@H]2CO)c1 ZINC001176442255 1132930863 /nfs/dbraw/zinc/93/08/63/1132930863.db2.gz QJBBHSUYJRIVAQ-MRXNPFEDSA-N 1 2 349.377 3.524 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1Nc1cnc(N2CCCCC2)nc1 ZINC001176503738 1132951088 /nfs/dbraw/zinc/95/10/88/1132951088.db2.gz VZAYKVIRIZDHRS-UHFFFAOYSA-N 1 2 338.459 3.596 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2cc(C)[nH+]c(OC)c2)ccc1F ZINC001176516445 1132955218 /nfs/dbraw/zinc/95/52/18/1132955218.db2.gz GHWZISTUFOQCGT-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO CS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC001176740995 1132990512 /nfs/dbraw/zinc/99/05/12/1132990512.db2.gz FHEJGAVRZJZMJU-UHFFFAOYSA-N 1 2 348.443 3.963 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1C[C@H](C)C1CCCCC1 ZINC001176761303 1132999181 /nfs/dbraw/zinc/99/91/81/1132999181.db2.gz VMTUHKVWHZOSGL-KXBFYZLASA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](C)C1CCCCC1 ZINC001176761303 1132999184 /nfs/dbraw/zinc/99/91/84/1132999184.db2.gz VMTUHKVWHZOSGL-KXBFYZLASA-N 1 2 331.456 3.812 20 0 EHADLO CCCCc1ccc(NC(=S)N(C)CCCn2cc[nH+]c2)cc1 ZINC000767694391 1133034759 /nfs/dbraw/zinc/03/47/59/1133034759.db2.gz ZNYLGDMSAKBKAB-UHFFFAOYSA-N 1 2 330.501 3.945 20 0 EHADLO Cc1cc(C)c(NC(=S)N(C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000767690170 1133039915 /nfs/dbraw/zinc/03/99/15/1133039915.db2.gz IATLDHGSYLUJLQ-UHFFFAOYSA-N 1 2 336.892 3.872 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)CN(C)c1cccc[nH+]1 ZINC001177409969 1133063220 /nfs/dbraw/zinc/06/32/20/1133063220.db2.gz UZSZZNCCQUMYPN-UHFFFAOYSA-N 1 2 348.406 3.652 20 0 EHADLO COC(=O)/C(C)=C/C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000746492741 1133064576 /nfs/dbraw/zinc/06/45/76/1133064576.db2.gz ADHWCOQESNZKIP-XNTDXEJSSA-N 1 2 345.464 3.878 20 0 EHADLO COC(=O)/C(C)=C/C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000746492741 1133064579 /nfs/dbraw/zinc/06/45/79/1133064579.db2.gz ADHWCOQESNZKIP-XNTDXEJSSA-N 1 2 345.464 3.878 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3noc4c3CCCC4)CC2)cn1 ZINC000773668374 1133065347 /nfs/dbraw/zinc/06/53/47/1133065347.db2.gz UAAZAARGAMDKQF-UHFFFAOYSA-N 1 2 329.831 3.891 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3noc4c3CCCC4)CC2)cn1 ZINC000773668374 1133065353 /nfs/dbraw/zinc/06/53/53/1133065353.db2.gz UAAZAARGAMDKQF-UHFFFAOYSA-N 1 2 329.831 3.891 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]1C[C@H]1c1cccs1 ZINC001177540287 1133078849 /nfs/dbraw/zinc/07/88/49/1133078849.db2.gz PAYFFXNEALXMCM-SJORKVTESA-N 1 2 337.448 3.696 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001204205420 1133109405 /nfs/dbraw/zinc/10/94/05/1133109405.db2.gz SNFTXAFJGWCRCZ-VIFPVBQESA-N 1 2 347.287 3.746 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001204205420 1133109407 /nfs/dbraw/zinc/10/94/07/1133109407.db2.gz SNFTXAFJGWCRCZ-VIFPVBQESA-N 1 2 347.287 3.746 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)s3)CC2)c(F)c1 ZINC000768217133 1133113424 /nfs/dbraw/zinc/11/34/24/1133113424.db2.gz FRKTYDRDAFFLES-UHFFFAOYSA-N 1 2 332.444 3.720 20 0 EHADLO C[C@H](C(=O)Nc1cc(C(F)(F)F)cc2ncccc21)n1cc[nH+]c1 ZINC001177926150 1133113978 /nfs/dbraw/zinc/11/39/78/1133113978.db2.gz DWGYQBJGTWFQAM-SNVBAGLBSA-N 1 2 334.301 3.650 20 0 EHADLO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001177925984 1133113987 /nfs/dbraw/zinc/11/39/87/1133113987.db2.gz BRMIUDJRDKBKPI-MRXNPFEDSA-N 1 2 347.418 3.931 20 0 EHADLO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177928864 1133116375 /nfs/dbraw/zinc/11/63/75/1133116375.db2.gz DLBPYPZVELZJKV-NVXWUHKLSA-N 1 2 338.455 3.843 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000768323534 1133124673 /nfs/dbraw/zinc/12/46/73/1133124673.db2.gz JRPRBJFYJYYUGL-UHFFFAOYSA-N 1 2 331.419 3.617 20 0 EHADLO O=C(NCCC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178175627 1133138975 /nfs/dbraw/zinc/13/89/75/1133138975.db2.gz SIANGAZBKFCYHK-UHFFFAOYSA-N 1 2 331.419 3.724 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000768530124 1133150444 /nfs/dbraw/zinc/15/04/44/1133150444.db2.gz YIELCJDOROXDPB-GFCCVEGCSA-N 1 2 344.249 3.596 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000768530124 1133150446 /nfs/dbraw/zinc/15/04/46/1133150446.db2.gz YIELCJDOROXDPB-GFCCVEGCSA-N 1 2 344.249 3.596 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1F ZINC001249868759 1133164977 /nfs/dbraw/zinc/16/49/77/1133164977.db2.gz QZQSVPNBFCWKBQ-XPTSAGLGSA-N 1 2 348.231 3.629 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1F ZINC001249868759 1133164980 /nfs/dbraw/zinc/16/49/80/1133164980.db2.gz QZQSVPNBFCWKBQ-XPTSAGLGSA-N 1 2 348.231 3.629 20 0 EHADLO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(Br)cn1 ZINC001178608932 1133185518 /nfs/dbraw/zinc/18/55/18/1133185518.db2.gz BBOFFVLBCOFYAA-VIFPVBQESA-N 1 2 348.200 3.542 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1occc1Br ZINC000768822923 1133188904 /nfs/dbraw/zinc/18/89/04/1133188904.db2.gz JKEHPABSQVVKLO-UHFFFAOYSA-N 1 2 340.217 3.562 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1occc1Br ZINC000768822923 1133188909 /nfs/dbraw/zinc/18/89/09/1133188909.db2.gz JKEHPABSQVVKLO-UHFFFAOYSA-N 1 2 340.217 3.562 20 0 EHADLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001178794621 1133198935 /nfs/dbraw/zinc/19/89/35/1133198935.db2.gz MIDVZOVJMSTDRI-SNVBAGLBSA-N 1 2 341.798 3.642 20 0 EHADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1(c2cccc(F)c2)CCCC1 ZINC001178921888 1133212437 /nfs/dbraw/zinc/21/24/37/1133212437.db2.gz CSUFCYPMVKGLPW-UHFFFAOYSA-N 1 2 341.430 3.556 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 ZINC000768996733 1133218101 /nfs/dbraw/zinc/21/81/01/1133218101.db2.gz PVVGMUYPFDEWNH-PKOBYXMFSA-N 1 2 337.398 3.531 20 0 EHADLO CCCn1c[nH+]cc1CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001179626952 1133268425 /nfs/dbraw/zinc/26/84/25/1133268425.db2.gz RHIYXCUHRXDCHL-KRWDZBQOSA-N 1 2 347.434 3.605 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cncc2ccccc21 ZINC000769405312 1133277794 /nfs/dbraw/zinc/27/77/94/1133277794.db2.gz UCWXBRVOGGNPDL-UHFFFAOYSA-N 1 2 348.446 3.843 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cncc2ccccc21 ZINC000769405312 1133277800 /nfs/dbraw/zinc/27/78/00/1133277800.db2.gz UCWXBRVOGGNPDL-UHFFFAOYSA-N 1 2 348.446 3.843 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2F)C1 ZINC001179845871 1133290636 /nfs/dbraw/zinc/29/06/36/1133290636.db2.gz YUDHIQXLWANILO-GFCCVEGCSA-N 1 2 346.240 3.598 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(Br)cc2F)C1 ZINC001179845871 1133290639 /nfs/dbraw/zinc/29/06/39/1133290639.db2.gz YUDHIQXLWANILO-GFCCVEGCSA-N 1 2 346.240 3.598 20 0 EHADLO COc1ccc[nH+]c1N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769537495 1133311555 /nfs/dbraw/zinc/31/15/55/1133311555.db2.gz KJESYWCDOOORKZ-ZIAGYGMSSA-N 1 2 335.448 3.680 20 0 EHADLO Fc1cccc(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1F ZINC001203187814 1133325151 /nfs/dbraw/zinc/32/51/51/1133325151.db2.gz NQPZRGUNYKDKPB-INIZCTEOSA-N 1 2 325.362 3.928 20 0 EHADLO CCn1cnc(Cl)c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001180111827 1133333339 /nfs/dbraw/zinc/33/33/39/1133333339.db2.gz DQFUWUCRAYYDDP-CYBMUJFWSA-N 1 2 341.883 3.500 20 0 EHADLO CCn1cnc(Cl)c1C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001180111827 1133333342 /nfs/dbraw/zinc/33/33/42/1133333342.db2.gz DQFUWUCRAYYDDP-CYBMUJFWSA-N 1 2 341.883 3.500 20 0 EHADLO CCn1cnc(Cl)c1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC001180225644 1133347051 /nfs/dbraw/zinc/34/70/51/1133347051.db2.gz VDWAOFLNKNTZOM-QGZVFWFLSA-N 1 2 347.890 3.780 20 0 EHADLO CCn1cnc(Cl)c1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC001180225644 1133347056 /nfs/dbraw/zinc/34/70/56/1133347056.db2.gz VDWAOFLNKNTZOM-QGZVFWFLSA-N 1 2 347.890 3.780 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC001180284804 1133356993 /nfs/dbraw/zinc/35/69/93/1133356993.db2.gz MMKQPOJHHNWNCE-DAXSKMNVSA-N 1 2 344.474 3.954 20 0 EHADLO Cc1ccc(F)cc1C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC001180378966 1133362803 /nfs/dbraw/zinc/36/28/03/1133362803.db2.gz NUZIJSHTFTXBRO-UHFFFAOYSA-N 1 2 332.463 3.749 20 0 EHADLO O=C(Nc1nc2cc(Cl)ccc2s1)c1cccc2[nH+]ccn21 ZINC000770064230 1133387855 /nfs/dbraw/zinc/38/78/55/1133387855.db2.gz LPNLGMQTJQXNFB-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC001180954751 1133435840 /nfs/dbraw/zinc/43/58/40/1133435840.db2.gz YYLQFXMUSPPASA-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO CCOc1cccc(F)c1C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC001180954751 1133435844 /nfs/dbraw/zinc/43/58/44/1133435844.db2.gz YYLQFXMUSPPASA-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(C)nc3scc(C)n23)C1 ZINC001180954777 1133435872 /nfs/dbraw/zinc/43/58/72/1133435872.db2.gz ZNLNDWATPREEJH-CQSZACIVSA-N 1 2 347.406 3.556 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(C)nc3scc(C)n23)C1 ZINC001180954777 1133435876 /nfs/dbraw/zinc/43/58/76/1133435876.db2.gz ZNLNDWATPREEJH-CQSZACIVSA-N 1 2 347.406 3.556 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]Cc2cc3ccncc3s2)no1 ZINC001181125493 1133456871 /nfs/dbraw/zinc/45/68/71/1133456871.db2.gz NTWOJKNJNUCXHM-UHFFFAOYSA-N 1 2 336.420 3.945 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)s1 ZINC001181214694 1133470200 /nfs/dbraw/zinc/47/02/00/1133470200.db2.gz VUHVGJPAKVCTDO-MRXNPFEDSA-N 1 2 339.867 3.933 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)s1 ZINC001181214694 1133470203 /nfs/dbraw/zinc/47/02/03/1133470203.db2.gz VUHVGJPAKVCTDO-MRXNPFEDSA-N 1 2 339.867 3.933 20 0 EHADLO O=C(Cc1cccc(C(F)(F)F)c1)OCc1cccc2[nH+]ccn21 ZINC000770921631 1133483751 /nfs/dbraw/zinc/48/37/51/1133483751.db2.gz SFEPIGMFEOMWGP-UHFFFAOYSA-N 1 2 334.297 3.639 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000770921706 1133483970 /nfs/dbraw/zinc/48/39/70/1133483970.db2.gz DOAQXHZXIOAAIF-UHFFFAOYSA-N 1 2 342.305 3.505 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)OCc2cccc3[nH+]ccn32)cc1C ZINC000770924398 1133484432 /nfs/dbraw/zinc/48/44/32/1133484432.db2.gz FQOMRTQNDNPMHE-UHFFFAOYSA-N 1 2 336.391 3.657 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)OCc1cccc2[nH+]ccn21 ZINC000770927865 1133486340 /nfs/dbraw/zinc/48/63/40/1133486340.db2.gz WGAAHUQOTRNPBU-UHFFFAOYSA-N 1 2 335.190 3.927 20 0 EHADLO COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)snc1OC ZINC001181622018 1133507196 /nfs/dbraw/zinc/50/71/96/1133507196.db2.gz NKTOVDRAVVSOFS-TZMCWYRMSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)snc1OC ZINC001181622018 1133507200 /nfs/dbraw/zinc/50/72/00/1133507200.db2.gz NKTOVDRAVVSOFS-TZMCWYRMSA-N 1 2 346.452 3.521 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1ccc2cc[nH]c2c1 ZINC001181805762 1133530135 /nfs/dbraw/zinc/53/01/35/1133530135.db2.gz LGWMUHXWYXWEQH-UHFFFAOYSA-N 1 2 344.418 3.555 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)n1 ZINC000817575621 1133538145 /nfs/dbraw/zinc/53/81/45/1133538145.db2.gz IUKQKQNRULDQIZ-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1cc(Br)cn2c(CN3CCC[C@@](C)(F)C3)c[nH+]c12 ZINC001181986004 1133557859 /nfs/dbraw/zinc/55/78/59/1133557859.db2.gz JNNBRDUZNGWAMI-OAHLLOKOSA-N 1 2 340.240 3.729 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1ccccc1CO)c1ccccc1Cl ZINC001182221745 1133598787 /nfs/dbraw/zinc/59/87/87/1133598787.db2.gz SDUBSDDVSVWLTM-GOSISDBHSA-N 1 2 346.858 3.854 20 0 EHADLO Cc1[nH+]c(N)ccc1CNC(F)(F)c1cc(Cl)cnc1Cl ZINC001156974648 1133600377 /nfs/dbraw/zinc/60/03/77/1133600377.db2.gz QAILYNIKFPAURO-UHFFFAOYSA-N 1 2 333.169 3.513 20 0 EHADLO CC(C)c1ccc(-c2nc(C(=O)OCCn3cc[nH+]c3)cs2)cc1 ZINC000771873091 1133604407 /nfs/dbraw/zinc/60/44/07/1133604407.db2.gz LAYMGCRDPVQELW-UHFFFAOYSA-N 1 2 341.436 3.987 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000771950205 1133618983 /nfs/dbraw/zinc/61/89/83/1133618983.db2.gz JBVVFUNIBAAMNB-NEPJUHHUSA-N 1 2 325.195 3.537 20 0 EHADLO COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182447815 1133674803 /nfs/dbraw/zinc/67/48/03/1133674803.db2.gz IVMMMORRZIMTQF-HXUWFJFHSA-N 1 2 347.418 3.609 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@]12CC[C@H](O1)c1ccccc12 ZINC001182484577 1133693273 /nfs/dbraw/zinc/69/32/73/1133693273.db2.gz RRDXVNGTPGCINI-PZJWPPBQSA-N 1 2 345.402 3.631 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC(C)(C)C ZINC001182555214 1133696375 /nfs/dbraw/zinc/69/63/75/1133696375.db2.gz NNTRJQTUKAEXEW-DGCLKSJQSA-N 1 2 348.874 3.998 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)OCc1ccccc1 ZINC001182624845 1133707301 /nfs/dbraw/zinc/70/73/01/1133707301.db2.gz HFSBBSBNQLIVOR-SZMVWBNQSA-N 1 2 345.483 3.834 20 0 EHADLO Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1-c1cccc(Cl)c1 ZINC001182746358 1133728466 /nfs/dbraw/zinc/72/84/66/1133728466.db2.gz QCQJGAHULZPSBA-CHWSQXEVSA-N 1 2 341.802 3.504 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000785726431 1133741619 /nfs/dbraw/zinc/74/16/19/1133741619.db2.gz CTPWRYZQNUZZTI-PHIMTYICSA-N 1 2 344.238 3.592 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000785726431 1133741623 /nfs/dbraw/zinc/74/16/23/1133741623.db2.gz CTPWRYZQNUZZTI-PHIMTYICSA-N 1 2 344.238 3.592 20 0 EHADLO CSC[C@@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001183219026 1133779948 /nfs/dbraw/zinc/77/99/48/1133779948.db2.gz DAAPJIJOMZHUII-YGRLFVJLSA-N 1 2 349.327 3.711 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC001183256793 1133786119 /nfs/dbraw/zinc/78/61/19/1133786119.db2.gz RYWVIWLPJDVLJI-YRNVUSSQSA-N 1 2 348.490 3.704 20 0 EHADLO Cc1cccc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001183258176 1133787035 /nfs/dbraw/zinc/78/70/35/1133787035.db2.gz UUISHCXPKLXEGD-UHFFFAOYSA-N 1 2 333.435 3.690 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CCc3ccc(F)cc3F)CCO2)cc1 ZINC001183363719 1133794627 /nfs/dbraw/zinc/79/46/27/1133794627.db2.gz LTLRFZKKCWCTEJ-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CCc3ccc(F)cc3F)CCO2)cc1 ZINC001183363719 1133794633 /nfs/dbraw/zinc/79/46/33/1133794633.db2.gz LTLRFZKKCWCTEJ-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC001183454104 1133809004 /nfs/dbraw/zinc/80/90/04/1133809004.db2.gz IYHVOMYEJMVBET-UYAOXDASSA-N 1 2 341.499 3.736 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000774677797 1133851350 /nfs/dbraw/zinc/85/13/50/1133851350.db2.gz WWTCYSTVRDDWEE-JXFKEZNVSA-N 1 2 332.447 3.711 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000774677797 1133851358 /nfs/dbraw/zinc/85/13/58/1133851358.db2.gz WWTCYSTVRDDWEE-JXFKEZNVSA-N 1 2 332.447 3.711 20 0 EHADLO Nc1ccc(CCC(=O)Nc2cc(-c3ccc(Cl)s3)on2)c[nH+]1 ZINC001183932269 1133873726 /nfs/dbraw/zinc/87/37/26/1133873726.db2.gz SZBMQIBTQMWKPQ-UHFFFAOYSA-N 1 2 348.815 3.605 20 0 EHADLO CC(C)(CC1CCC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001183926190 1133879598 /nfs/dbraw/zinc/87/95/98/1133879598.db2.gz OAOATOJUKAQQFO-HNNXBMFYSA-N 1 2 328.447 3.535 20 0 EHADLO CC[C@@H](C[N@H+](CC)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 ZINC000774702691 1133884589 /nfs/dbraw/zinc/88/45/89/1133884589.db2.gz NVYURLGZHSCRKO-KRWDZBQOSA-N 1 2 339.483 3.595 20 0 EHADLO CC[C@@H](C[N@@H+](CC)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 ZINC000774702691 1133884591 /nfs/dbraw/zinc/88/45/91/1133884591.db2.gz NVYURLGZHSCRKO-KRWDZBQOSA-N 1 2 339.483 3.595 20 0 EHADLO Cn1cccc1C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001203270625 1133892825 /nfs/dbraw/zinc/89/28/25/1133892825.db2.gz OABJOSFWXXGHTM-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cn1cccc1C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001203270625 1133892831 /nfs/dbraw/zinc/89/28/31/1133892831.db2.gz OABJOSFWXXGHTM-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)ccnc1F)c1cc(F)ccc1N(C)C ZINC001184428255 1133940631 /nfs/dbraw/zinc/94/06/31/1133940631.db2.gz JMPVJBFOXREDRN-JTQLQIEISA-N 1 2 325.790 3.930 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NC[C@@](C)(OC)C1CC1 ZINC001184461464 1133943463 /nfs/dbraw/zinc/94/34/63/1133943463.db2.gz AQVKDVMIOGCMCO-LJQANCHMSA-N 1 2 331.460 3.690 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000787363195 1133996942 /nfs/dbraw/zinc/99/69/42/1133996942.db2.gz JCXPPKUVYUQXSS-LBPRGKRZSA-N 1 2 332.831 3.804 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000787363195 1133996946 /nfs/dbraw/zinc/99/69/46/1133996946.db2.gz JCXPPKUVYUQXSS-LBPRGKRZSA-N 1 2 332.831 3.804 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000787440985 1134004280 /nfs/dbraw/zinc/00/42/80/1134004280.db2.gz IXVVMOOOXIXZAE-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO Cc1ccccc1C1(CNc2[nH+]cnc3c2cnn3C)CCCCC1 ZINC001185181032 1134044689 /nfs/dbraw/zinc/04/46/89/1134044689.db2.gz UKZSOLMUFUJTEO-UHFFFAOYSA-N 1 2 335.455 3.986 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788694117 1134159975 /nfs/dbraw/zinc/15/99/75/1134159975.db2.gz YJFVVJHWQBMUCC-UHFFFAOYSA-N 1 2 345.487 3.872 20 0 EHADLO CCc1cc(N(Cc2ccccc2)C[C@](C)(O)CC)nc(CC)[nH+]1 ZINC001186155647 1134176314 /nfs/dbraw/zinc/17/63/14/1134176314.db2.gz CBBWZQDDHXVGKV-HXUWFJFHSA-N 1 2 327.472 3.769 20 0 EHADLO CC/C(=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000788834766 1134178845 /nfs/dbraw/zinc/17/88/45/1134178845.db2.gz OGRJRNSWRWICMY-NMIWIPSGSA-N 1 2 336.435 3.863 20 0 EHADLO Cc1ccc(N2CCC[N@H+](Cc3c(F)ccc(O)c3F)CC2)cc1 ZINC000788840539 1134180611 /nfs/dbraw/zinc/18/06/11/1134180611.db2.gz NCUTXYWSXNCOCF-UHFFFAOYSA-N 1 2 332.394 3.691 20 0 EHADLO Cc1ccc(N2CCC[N@@H+](Cc3c(F)ccc(O)c3F)CC2)cc1 ZINC000788840539 1134180617 /nfs/dbraw/zinc/18/06/17/1134180617.db2.gz NCUTXYWSXNCOCF-UHFFFAOYSA-N 1 2 332.394 3.691 20 0 EHADLO C[C@H](Sc1nc2ccccc2n2c[nH+]cc12)C(=O)OC(C)(C)C ZINC001186275671 1134191976 /nfs/dbraw/zinc/19/19/76/1134191976.db2.gz PRAHHRBXHOKQJO-NSHDSACASA-N 1 2 329.425 3.705 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155021983 1134244164 /nfs/dbraw/zinc/24/41/64/1134244164.db2.gz PKAIRHLKVXRNDH-AWEZNQCLSA-N 1 2 344.846 3.834 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789309366 1134251822 /nfs/dbraw/zinc/25/18/22/1134251822.db2.gz IQJRSLOTXCNCMB-SFHVURJKSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789309366 1134251826 /nfs/dbraw/zinc/25/18/26/1134251826.db2.gz IQJRSLOTXCNCMB-SFHVURJKSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)OCCCc1[nH+]ccn1C ZINC000789791265 1134334600 /nfs/dbraw/zinc/33/46/00/1134334600.db2.gz IVYBYXUEYXTDSO-UHFFFAOYSA-N 1 2 335.407 3.580 20 0 EHADLO CC(C)OC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1 ZINC001187525751 1134345855 /nfs/dbraw/zinc/34/58/55/1134345855.db2.gz VZKKTWYITXOICV-UHFFFAOYSA-N 1 2 337.427 3.575 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001187931236 1134401755 /nfs/dbraw/zinc/40/17/55/1134401755.db2.gz YUHOZABIJQNSIV-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO Cc1cccc([C@@H]2CC(=O)N(C[N@@H+]3CCc4cc(C)ccc4C3)C2)c1 ZINC000790445604 1134419544 /nfs/dbraw/zinc/41/95/44/1134419544.db2.gz BLLBZQMHHJESRV-OAQYLSRUSA-N 1 2 334.463 3.635 20 0 EHADLO Cc1cccc([C@@H]2CC(=O)N(C[N@H+]3CCc4cc(C)ccc4C3)C2)c1 ZINC000790445604 1134419547 /nfs/dbraw/zinc/41/95/47/1134419547.db2.gz BLLBZQMHHJESRV-OAQYLSRUSA-N 1 2 334.463 3.635 20 0 EHADLO Cc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2=O)cc1 ZINC000790474947 1134422066 /nfs/dbraw/zinc/42/20/66/1134422066.db2.gz ZGURYGNJJBYRAX-OAHLLOKOSA-N 1 2 343.496 3.644 20 0 EHADLO Cc1cc(N)nc(SCCCc2ccccc2Br)[nH+]1 ZINC001188409587 1134466662 /nfs/dbraw/zinc/46/66/62/1134466662.db2.gz YMNYNLGBSCMZKU-UHFFFAOYSA-N 1 2 338.274 3.855 20 0 EHADLO O=C(Nc1cccc(NCC(F)(F)F)c1)c1cccc2[nH+]ccn21 ZINC000791186970 1134517706 /nfs/dbraw/zinc/51/77/06/1134517706.db2.gz RTBVDEVHPAXGTB-UHFFFAOYSA-N 1 2 334.301 3.561 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000791269349 1134524693 /nfs/dbraw/zinc/52/46/93/1134524693.db2.gz AUEOVJPALQNNTL-SICOMBFOSA-N 1 2 327.472 3.787 20 0 EHADLO CC(=CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000791269349 1134524699 /nfs/dbraw/zinc/52/46/99/1134524699.db2.gz AUEOVJPALQNNTL-SICOMBFOSA-N 1 2 327.472 3.787 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C/c1ccc(O)cc1 ZINC000791296101 1134526712 /nfs/dbraw/zinc/52/67/12/1134526712.db2.gz NQFWKHPGZWIMHV-RUDMXATFSA-N 1 2 334.375 3.643 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001188983347 1134528676 /nfs/dbraw/zinc/52/86/76/1134528676.db2.gz CCEHSFLGRAJRKR-UHFFFAOYSA-N 1 2 331.485 3.679 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](c1ccccc1)N(C)C ZINC000791450827 1134553831 /nfs/dbraw/zinc/55/38/31/1134553831.db2.gz PUEPEVSRIJWFGO-HXUWFJFHSA-N 1 2 349.434 3.527 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791552462 1134572566 /nfs/dbraw/zinc/57/25/66/1134572566.db2.gz IDTHBJYMWKOWLA-STXHMFSFSA-N 1 2 338.451 3.666 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791552462 1134572572 /nfs/dbraw/zinc/57/25/72/1134572572.db2.gz IDTHBJYMWKOWLA-STXHMFSFSA-N 1 2 338.451 3.666 20 0 EHADLO CCN(C(=O)Nc1c(Cl)cccc1C(F)(F)F)C1C[NH+](C)C1 ZINC001189469090 1134587312 /nfs/dbraw/zinc/58/73/12/1134587312.db2.gz WWZXNPNLNAQOLO-UHFFFAOYSA-N 1 2 335.757 3.527 20 0 EHADLO CC[NH+](CC)c1ccc(C)c(N[C@H](C(=O)N2CCCC2)C(C)C)c1 ZINC001170158547 1134591723 /nfs/dbraw/zinc/59/17/23/1134591723.db2.gz HSKKSLSBUMPCST-IBGZPJMESA-N 1 2 331.504 3.900 20 0 EHADLO CCCc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)s1 ZINC001189509757 1134593718 /nfs/dbraw/zinc/59/37/18/1134593718.db2.gz GONFRBJOGQOWRB-SFHVURJKSA-N 1 2 340.492 3.756 20 0 EHADLO CCCc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)s1 ZINC001189509757 1134593722 /nfs/dbraw/zinc/59/37/22/1134593722.db2.gz GONFRBJOGQOWRB-SFHVURJKSA-N 1 2 340.492 3.756 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCOC2=O)cc1 ZINC000775268746 1134601717 /nfs/dbraw/zinc/60/17/17/1134601717.db2.gz XXMWZPXJFPHWBB-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO COc1cc(-c2ccccc2)sc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791753320 1134602373 /nfs/dbraw/zinc/60/23/73/1134602373.db2.gz ZSNJQURBGIHLHO-UHFFFAOYSA-N 1 2 340.404 3.758 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001189614443 1134606379 /nfs/dbraw/zinc/60/63/79/1134606379.db2.gz BDEUOXGJEBIYDZ-UHFFFAOYSA-N 1 2 326.444 3.912 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791900719 1134623666 /nfs/dbraw/zinc/62/36/66/1134623666.db2.gz WBJJHMULAQJMMY-MRXNPFEDSA-N 1 2 328.412 3.688 20 0 EHADLO COCCCC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000791906390 1134624528 /nfs/dbraw/zinc/62/45/28/1134624528.db2.gz OPKRKLLBEJFOQL-QGZVFWFLSA-N 1 2 337.423 3.622 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000791868208 1134625782 /nfs/dbraw/zinc/62/57/82/1134625782.db2.gz BDLQTRHEZBMWBF-CHWSQXEVSA-N 1 2 337.206 3.818 20 0 EHADLO C/C(=C/C(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791970123 1134633501 /nfs/dbraw/zinc/63/35/01/1134633501.db2.gz IXCZZUGBAVSMGD-XFFZJAGNSA-N 1 2 336.313 3.829 20 0 EHADLO Cn1ncc(Br)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203712040 1134642237 /nfs/dbraw/zinc/64/22/37/1134642237.db2.gz AETYWJIIPMMQJK-UHFFFAOYSA-N 1 2 335.249 3.917 20 0 EHADLO CN(C(=O)c1ccccc1-n1cc[nH+]c1)C(C)(C)Cc1ccccc1 ZINC001190097181 1134654824 /nfs/dbraw/zinc/65/48/24/1134654824.db2.gz KPNYQLGBFFNFQY-UHFFFAOYSA-N 1 2 333.435 3.966 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)c1ccccc1-n1cc[nH+]c1 ZINC001190099793 1134655763 /nfs/dbraw/zinc/65/57/63/1134655763.db2.gz NLVLTSADYXBQOP-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO O=C(Nc1cnc(-c2ccccc2)cn1)c1ccccc1-n1cc[nH+]c1 ZINC001190075543 1134658335 /nfs/dbraw/zinc/65/83/35/1134658335.db2.gz WOHAZOGAIVYDGC-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792212500 1134671727 /nfs/dbraw/zinc/67/17/27/1134671727.db2.gz OPPFFPVNLJGNFA-NSHDSACASA-N 1 2 328.239 3.911 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792212500 1134671732 /nfs/dbraw/zinc/67/17/32/1134671732.db2.gz OPPFFPVNLJGNFA-NSHDSACASA-N 1 2 328.239 3.911 20 0 EHADLO CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001190318062 1134679331 /nfs/dbraw/zinc/67/93/31/1134679331.db2.gz KFTXFCIOLZUALG-LJQANCHMSA-N 1 2 345.483 3.731 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000792481372 1134690945 /nfs/dbraw/zinc/69/09/45/1134690945.db2.gz IVLJCPASLBHOTA-CZUORRHYSA-N 1 2 346.479 3.595 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001190761069 1134741984 /nfs/dbraw/zinc/74/19/84/1134741984.db2.gz MPMLORNLNJPNAT-UHFFFAOYSA-N 1 2 342.321 3.684 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001170341790 1134758908 /nfs/dbraw/zinc/75/89/08/1134758908.db2.gz FWXGCUIUFKPENM-LJQANCHMSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001170341790 1134758914 /nfs/dbraw/zinc/75/89/14/1134758914.db2.gz FWXGCUIUFKPENM-LJQANCHMSA-N 1 2 329.415 3.977 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 ZINC000792719227 1134778528 /nfs/dbraw/zinc/77/85/28/1134778528.db2.gz HICKDMHIUDZGHM-NPQIQWPPSA-N 1 2 346.525 3.753 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 ZINC000792719227 1134778530 /nfs/dbraw/zinc/77/85/30/1134778530.db2.gz HICKDMHIUDZGHM-NPQIQWPPSA-N 1 2 346.525 3.753 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)Cc1ccccc1 ZINC000792945423 1134823083 /nfs/dbraw/zinc/82/30/83/1134823083.db2.gz AYLPFTDDADVUDL-UHFFFAOYSA-N 1 2 327.334 3.689 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000792930399 1134829561 /nfs/dbraw/zinc/82/95/61/1134829561.db2.gz MDVBXXWQQCJTET-QGZVFWFLSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCc1c[nH+]cn1C ZINC000793249009 1134888760 /nfs/dbraw/zinc/88/87/60/1134888760.db2.gz BTFYFQBGFAWCBK-NSHDSACASA-N 1 2 341.238 3.691 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000793252055 1134889230 /nfs/dbraw/zinc/88/92/30/1134889230.db2.gz DLFFEAGJXANWTD-UHFFFAOYSA-N 1 2 342.345 3.765 20 0 EHADLO Cc1cc(C[N@H+](CCO)Cc2cccnc2Cl)cc2cccnc12 ZINC000793365882 1134911740 /nfs/dbraw/zinc/91/17/40/1134911740.db2.gz LPZBSYRPIVCGNQ-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO Cc1cc(C[N@@H+](CCO)Cc2cccnc2Cl)cc2cccnc12 ZINC000793365882 1134911744 /nfs/dbraw/zinc/91/17/44/1134911744.db2.gz LPZBSYRPIVCGNQ-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO Cc1c(C)c(C)c(C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)c(C)c1C ZINC001191789927 1134922986 /nfs/dbraw/zinc/92/29/86/1134922986.db2.gz QMHHVLWITODAQX-IBGZPJMESA-N 1 2 342.508 3.963 20 0 EHADLO Cc1c(C)c(C)c(C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)c(C)c1C ZINC001191789927 1134922991 /nfs/dbraw/zinc/92/29/91/1134922991.db2.gz QMHHVLWITODAQX-IBGZPJMESA-N 1 2 342.508 3.963 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444132 1135019992 /nfs/dbraw/zinc/01/99/92/1135019992.db2.gz SXLHHESVHSLOAN-GOEBONIOSA-N 1 2 339.863 3.771 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444132 1135019996 /nfs/dbraw/zinc/01/99/96/1135019996.db2.gz SXLHHESVHSLOAN-GOEBONIOSA-N 1 2 339.863 3.771 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC001192636602 1135042672 /nfs/dbraw/zinc/04/26/72/1135042672.db2.gz VZBMYWJMMLOCPB-AWEZNQCLSA-N 1 2 332.494 3.599 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC001192636602 1135042677 /nfs/dbraw/zinc/04/26/77/1135042677.db2.gz VZBMYWJMMLOCPB-AWEZNQCLSA-N 1 2 332.494 3.599 20 0 EHADLO O=C(c1cccnc1Oc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001192701467 1135046786 /nfs/dbraw/zinc/04/67/86/1135046786.db2.gz XSAXWBUYTZJDEK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1cccnc1Oc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001192701467 1135046789 /nfs/dbraw/zinc/04/67/89/1135046789.db2.gz XSAXWBUYTZJDEK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO CCNc1nc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cs1 ZINC001192770464 1135053262 /nfs/dbraw/zinc/05/32/62/1135053262.db2.gz INCFLFYRYAXNJB-UHFFFAOYSA-N 1 2 334.876 3.913 20 0 EHADLO CCNc1nc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cs1 ZINC001192770464 1135053268 /nfs/dbraw/zinc/05/32/68/1135053268.db2.gz INCFLFYRYAXNJB-UHFFFAOYSA-N 1 2 334.876 3.913 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001192996446 1135082472 /nfs/dbraw/zinc/08/24/72/1135082472.db2.gz KOJFMNVJKPXQNX-UHFFFAOYSA-N 1 2 345.284 3.768 20 0 EHADLO COC(=O)C1([NH2+]CCSc2ccc(F)cc2F)CCCCCC1 ZINC001193043780 1135087528 /nfs/dbraw/zinc/08/75/28/1135087528.db2.gz JUOWLGVMZJAELI-UHFFFAOYSA-N 1 2 343.439 3.913 20 0 EHADLO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000775568740 1135096362 /nfs/dbraw/zinc/09/63/62/1135096362.db2.gz WGKMBEJSKNECCH-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[C@@H]1CCOCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000775568740 1135096369 /nfs/dbraw/zinc/09/63/69/1135096369.db2.gz WGKMBEJSKNECCH-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO COc1ccc2c(CC(=O)Nc3ccn4cc[nH+]c4c3)coc2c1C ZINC001129594325 1135117927 /nfs/dbraw/zinc/11/79/27/1135117927.db2.gz OEZPFUHLGINWES-UHFFFAOYSA-N 1 2 335.363 3.579 20 0 EHADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001170460955 1135160943 /nfs/dbraw/zinc/16/09/43/1135160943.db2.gz SNKZDXQFMVJHTC-HNNXBMFYSA-N 1 2 330.815 3.801 20 0 EHADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001170460955 1135160944 /nfs/dbraw/zinc/16/09/44/1135160944.db2.gz SNKZDXQFMVJHTC-HNNXBMFYSA-N 1 2 330.815 3.801 20 0 EHADLO Cc1cc2cc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)ccc2[nH]1 ZINC000804841300 1135208513 /nfs/dbraw/zinc/20/85/13/1135208513.db2.gz SAOTZZCJJKDHCZ-UHFFFAOYSA-N 1 2 334.427 3.983 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001194021008 1135215760 /nfs/dbraw/zinc/21/57/60/1135215760.db2.gz UYFBUFIWLPEVOX-LSDHHAIUSA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001194021008 1135215764 /nfs/dbraw/zinc/21/57/64/1135215764.db2.gz UYFBUFIWLPEVOX-LSDHHAIUSA-N 1 2 332.271 3.774 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cncc(-c2ccsc2)c1 ZINC001193999474 1135220142 /nfs/dbraw/zinc/22/01/42/1135220142.db2.gz YWQIUYFOSZKOPP-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001194082225 1135226566 /nfs/dbraw/zinc/22/65/66/1135226566.db2.gz GRBITTHZZNJFTG-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001194082225 1135226569 /nfs/dbraw/zinc/22/65/69/1135226569.db2.gz GRBITTHZZNJFTG-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001194108016 1135227576 /nfs/dbraw/zinc/22/75/76/1135227576.db2.gz NIEMEICDICHTNK-HNNXBMFYSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001194108016 1135227580 /nfs/dbraw/zinc/22/75/80/1135227580.db2.gz NIEMEICDICHTNK-HNNXBMFYSA-N 1 2 339.867 3.568 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CCC=C(c4ccccn4)C3)n2)c1 ZINC001194570496 1135287477 /nfs/dbraw/zinc/28/74/77/1135287477.db2.gz JNEMLNWRRCVXSO-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CCC=C(c4ccccn4)C3)n2)c1 ZINC001194570496 1135287482 /nfs/dbraw/zinc/28/74/82/1135287482.db2.gz JNEMLNWRRCVXSO-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO CC(C)(C(=O)OCC(=O)c1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000805612903 1135298247 /nfs/dbraw/zinc/29/82/47/1135298247.db2.gz DTNRXEPWIAHHMC-UHFFFAOYSA-N 1 2 344.238 3.594 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000805789845 1135328500 /nfs/dbraw/zinc/32/85/00/1135328500.db2.gz MACVISRXMZEUTR-JQWIXIFHSA-N 1 2 329.275 3.506 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000805789845 1135328506 /nfs/dbraw/zinc/32/85/06/1135328506.db2.gz MACVISRXMZEUTR-JQWIXIFHSA-N 1 2 329.275 3.506 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2ccc3c(c2)CCC3)c1 ZINC001194886150 1135335285 /nfs/dbraw/zinc/33/52/85/1135335285.db2.gz FPPQGNYMANVLSO-UHFFFAOYSA-N 1 2 331.419 3.506 20 0 EHADLO CC(C)CCOC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001194900003 1135336862 /nfs/dbraw/zinc/33/68/62/1135336862.db2.gz AKMLLRRYVUPARE-UHFFFAOYSA-N 1 2 340.414 3.702 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Oc1ccccc1C(F)(F)F ZINC001195219871 1135395680 /nfs/dbraw/zinc/39/56/80/1135395680.db2.gz LFSFXLQJYQCUCB-UHFFFAOYSA-N 1 2 339.317 3.916 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000806158309 1135404017 /nfs/dbraw/zinc/40/40/17/1135404017.db2.gz XGIBAVWSHVHCON-HNNXBMFYSA-N 1 2 333.439 3.823 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000806158309 1135404019 /nfs/dbraw/zinc/40/40/19/1135404019.db2.gz XGIBAVWSHVHCON-HNNXBMFYSA-N 1 2 333.439 3.823 20 0 EHADLO CC[C@@H]1C[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)C[C@@H](CC)O1 ZINC001195299284 1135408735 /nfs/dbraw/zinc/40/87/35/1135408735.db2.gz MULHJXILQYQMFO-XJKCOSOUSA-N 1 2 331.378 3.628 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(F)c1Cl ZINC000806771996 1135487969 /nfs/dbraw/zinc/48/79/69/1135487969.db2.gz YLRWQKTXQDYDLS-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCc1ccccc1Br)CCO2 ZINC001196367537 1135551460 /nfs/dbraw/zinc/55/14/60/1135551460.db2.gz KUHQIPMXCNGEFP-UHFFFAOYSA-N 1 2 348.240 3.592 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCc1ccccc1Br)CCO2 ZINC001196367537 1135551466 /nfs/dbraw/zinc/55/14/66/1135551466.db2.gz KUHQIPMXCNGEFP-UHFFFAOYSA-N 1 2 348.240 3.592 20 0 EHADLO CCc1cc(C[NH2+]Cc2cc(Cl)ccc2Br)on1 ZINC000080518389 1135559171 /nfs/dbraw/zinc/55/91/71/1135559171.db2.gz HSGNQCVHAZASCM-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C3=CCCC3)n2)C1 ZINC000867180523 1135576488 /nfs/dbraw/zinc/57/64/88/1135576488.db2.gz GMKBHKKWNGWUBW-QGZVFWFLSA-N 1 2 325.412 3.519 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C3=CCCC3)n2)C1 ZINC000867180523 1135576490 /nfs/dbraw/zinc/57/64/90/1135576490.db2.gz GMKBHKKWNGWUBW-QGZVFWFLSA-N 1 2 325.412 3.519 20 0 EHADLO Cc1cc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)nn1 ZINC000794426352 1135594642 /nfs/dbraw/zinc/59/46/42/1135594642.db2.gz DNCAITWFXSQMBI-UHFFFAOYSA-N 1 2 348.406 3.512 20 0 EHADLO CCCCC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC001196857874 1135623796 /nfs/dbraw/zinc/62/37/96/1135623796.db2.gz UNAXJWQBLMGCEP-UHFFFAOYSA-N 1 2 336.505 3.973 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)CC2 ZINC000808180398 1135626449 /nfs/dbraw/zinc/62/64/49/1135626449.db2.gz KDLQCZJONHKFFH-FQEVSTJZSA-N 1 2 349.478 3.624 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)CC2 ZINC000808180398 1135626452 /nfs/dbraw/zinc/62/64/52/1135626452.db2.gz KDLQCZJONHKFFH-FQEVSTJZSA-N 1 2 349.478 3.624 20 0 EHADLO C[N@H+](Cn1cccnc1=S)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197508 1135628620 /nfs/dbraw/zinc/62/86/20/1135628620.db2.gz ICOJRKNOKYZKBV-HZPDHXFCSA-N 1 2 329.469 3.748 20 0 EHADLO C[N@@H+](Cn1cccnc1=S)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197508 1135628624 /nfs/dbraw/zinc/62/86/24/1135628624.db2.gz ICOJRKNOKYZKBV-HZPDHXFCSA-N 1 2 329.469 3.748 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000808168741 1135629373 /nfs/dbraw/zinc/62/93/73/1135629373.db2.gz REVDCSRTEMCEOH-UHFFFAOYSA-N 1 2 336.426 3.925 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000808168741 1135629378 /nfs/dbraw/zinc/62/93/78/1135629378.db2.gz REVDCSRTEMCEOH-UHFFFAOYSA-N 1 2 336.426 3.925 20 0 EHADLO CNC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C(C)C)ccc1OC ZINC001197145171 1135648315 /nfs/dbraw/zinc/64/83/15/1135648315.db2.gz KXPNWDMLFDFEIR-UHFFFAOYSA-N 1 2 340.467 3.567 20 0 EHADLO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C(C)C)ccc1OC ZINC001197145171 1135648319 /nfs/dbraw/zinc/64/83/19/1135648319.db2.gz KXPNWDMLFDFEIR-UHFFFAOYSA-N 1 2 340.467 3.567 20 0 EHADLO O=C(Oc1ccc(N2CCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000808486345 1135678224 /nfs/dbraw/zinc/67/82/24/1135678224.db2.gz PMRMJFWGXJFHCF-UHFFFAOYSA-N 1 2 347.418 3.751 20 0 EHADLO CC[N@H+](Cc1ncccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197672620 1135720501 /nfs/dbraw/zinc/72/05/01/1135720501.db2.gz SHFJPTSZWQIRDP-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC[N@@H+](Cc1ncccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197672620 1135720504 /nfs/dbraw/zinc/72/05/04/1135720504.db2.gz SHFJPTSZWQIRDP-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO CC[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000808947357 1135759443 /nfs/dbraw/zinc/75/94/43/1135759443.db2.gz QAKMRJXEPXBQOP-SFHVURJKSA-N 1 2 339.370 3.774 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@@H+]2CCc2ccc(Cl)cc2)o1 ZINC001197989190 1135764127 /nfs/dbraw/zinc/76/41/27/1135764127.db2.gz KVFUCSBBXVQEKV-KRWDZBQOSA-N 1 2 335.831 3.695 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@H+]2CCc2ccc(Cl)cc2)o1 ZINC001197989190 1135764130 /nfs/dbraw/zinc/76/41/30/1135764130.db2.gz KVFUCSBBXVQEKV-KRWDZBQOSA-N 1 2 335.831 3.695 20 0 EHADLO CC(C)OC(=O)C(C)(C)[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC001198533299 1135827894 /nfs/dbraw/zinc/82/78/94/1135827894.db2.gz MLJRDMDYKYXHOR-UHFFFAOYSA-N 1 2 331.378 3.958 20 0 EHADLO C[C@H](CO)[N@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000809745165 1135884017 /nfs/dbraw/zinc/88/40/17/1135884017.db2.gz DSJQSXALIKYWCI-SNVBAGLBSA-N 1 2 328.890 3.760 20 0 EHADLO C[C@H](CO)[N@@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000809745165 1135884021 /nfs/dbraw/zinc/88/40/21/1135884021.db2.gz DSJQSXALIKYWCI-SNVBAGLBSA-N 1 2 328.890 3.760 20 0 EHADLO Cc1nonc1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000809744686 1135884301 /nfs/dbraw/zinc/88/43/01/1135884301.db2.gz YGSDNVVSOGIFIH-UHFFFAOYSA-N 1 2 331.322 3.738 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cn2c3ccc(Cl)cc3oc2=O)c1 ZINC000105155393 1135915798 /nfs/dbraw/zinc/91/57/98/1135915798.db2.gz NLAFUBQWTZDMAU-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cn2c3ccc(Cl)cc3oc2=O)c1 ZINC000105155393 1135915801 /nfs/dbraw/zinc/91/58/01/1135915801.db2.gz NLAFUBQWTZDMAU-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810100053 1135920939 /nfs/dbraw/zinc/92/09/39/1135920939.db2.gz UOWGEYLMONZFQV-INIZCTEOSA-N 1 2 344.499 3.627 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810100053 1135920944 /nfs/dbraw/zinc/92/09/44/1135920944.db2.gz UOWGEYLMONZFQV-INIZCTEOSA-N 1 2 344.499 3.627 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccco1 ZINC001273845840 1135954909 /nfs/dbraw/zinc/95/49/09/1135954909.db2.gz RAKGZKOFHJMBNM-CHWSQXEVSA-N 1 2 341.798 3.539 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Oc1cccc(Cl)c1 ZINC000810524856 1135969607 /nfs/dbraw/zinc/96/96/07/1135969607.db2.gz YHXMGWJMAXZJKO-UHFFFAOYSA-N 1 2 326.783 3.733 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1(F)CCCCC1 ZINC000810708169 1135999192 /nfs/dbraw/zinc/99/91/92/1135999192.db2.gz NPOBMDGSCAKHIL-UHFFFAOYSA-N 1 2 333.451 3.598 20 0 EHADLO Cc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(F)c1F ZINC001137969817 1136005333 /nfs/dbraw/zinc/00/53/33/1136005333.db2.gz JKLOLQWYBGZRNS-OAHLLOKOSA-N 1 2 337.332 3.799 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001132621719 1136047142 /nfs/dbraw/zinc/04/71/42/1136047142.db2.gz IUYOTGMKZPFEDY-AUUYWEPGSA-N 1 2 342.870 3.822 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001132621719 1136047145 /nfs/dbraw/zinc/04/71/45/1136047145.db2.gz IUYOTGMKZPFEDY-AUUYWEPGSA-N 1 2 342.870 3.822 20 0 EHADLO Cc1ccc(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000811255567 1136063259 /nfs/dbraw/zinc/06/32/59/1136063259.db2.gz TZTMMVRFESRZLG-UHFFFAOYSA-N 1 2 326.421 3.918 20 0 EHADLO Cc1ccc(CCCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000811328882 1136074547 /nfs/dbraw/zinc/07/45/47/1136074547.db2.gz XPDCTCAOYGNLNZ-UHFFFAOYSA-N 1 2 348.446 3.958 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1OCC(C)C ZINC001201919338 1136074939 /nfs/dbraw/zinc/07/49/39/1136074939.db2.gz DJIZNNLPZSBVHG-LBPRGKRZSA-N 1 2 335.473 3.741 20 0 EHADLO Cn1cc(NCc2cc(-n3cc[nH+]c3)cs2)c(-c2ccccc2)n1 ZINC001201963930 1136079046 /nfs/dbraw/zinc/07/90/46/1136079046.db2.gz YBSWFVNYINDCBB-UHFFFAOYSA-N 1 2 335.436 3.946 20 0 EHADLO Cc1ccoc1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001202178850 1136106233 /nfs/dbraw/zinc/10/62/33/1136106233.db2.gz DCEWDZQSWBDLRH-UHFFFAOYSA-N 1 2 348.406 3.825 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1ccc(Cl)c(Cl)c1 ZINC001202268833 1136116536 /nfs/dbraw/zinc/11/65/36/1136116536.db2.gz IELLIHQRHSUHQJ-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811730136 1136131633 /nfs/dbraw/zinc/13/16/33/1136131633.db2.gz UHFSZMLNVYAZKE-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811730136 1136131635 /nfs/dbraw/zinc/13/16/35/1136131635.db2.gz UHFSZMLNVYAZKE-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO C[C@H]1C[N@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777410 1136134206 /nfs/dbraw/zinc/13/42/06/1136134206.db2.gz FDHYPNNWNUWOGV-SMDDNHRTSA-N 1 2 328.790 3.548 20 0 EHADLO C[C@H]1C[N@@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777410 1136134207 /nfs/dbraw/zinc/13/42/07/1136134207.db2.gz FDHYPNNWNUWOGV-SMDDNHRTSA-N 1 2 328.790 3.548 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC001202377759 1136136474 /nfs/dbraw/zinc/13/64/74/1136136474.db2.gz MTRBJBGTJWPNKS-HNNXBMFYSA-N 1 2 329.362 3.927 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC001202377759 1136136477 /nfs/dbraw/zinc/13/64/77/1136136477.db2.gz MTRBJBGTJWPNKS-HNNXBMFYSA-N 1 2 329.362 3.927 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC4(CCC4)C[C@H]3C)c(=O)cc2C)cc1 ZINC000811766696 1136137165 /nfs/dbraw/zinc/13/71/65/1136137165.db2.gz FFCIVAMCQQIRCY-QGZVFWFLSA-N 1 2 337.467 3.749 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC4(CCC4)C[C@H]3C)c(=O)cc2C)cc1 ZINC000811766696 1136137169 /nfs/dbraw/zinc/13/71/69/1136137169.db2.gz FFCIVAMCQQIRCY-QGZVFWFLSA-N 1 2 337.467 3.749 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2ccc(C)c(C)c2)c(N(C)C)[nH+]1 ZINC001202395894 1136141929 /nfs/dbraw/zinc/14/19/29/1136141929.db2.gz MAQMASOSCARCPY-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(Cc1ccc(Cl)s1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133032884 1136146553 /nfs/dbraw/zinc/14/65/53/1136146553.db2.gz LJHDOMOENAXRSU-OAHLLOKOSA-N 1 2 345.855 3.698 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C2CC2)cc1 ZINC001133033069 1136146607 /nfs/dbraw/zinc/14/66/07/1136146607.db2.gz PNGKLFAZXMVSKT-HXUWFJFHSA-N 1 2 331.419 3.932 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1ccc(Cl)cn1)C2 ZINC000338916728 1136163260 /nfs/dbraw/zinc/16/32/60/1136163260.db2.gz IFKNTURMLLUPRE-NEPJUHHUSA-N 1 2 346.862 3.564 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cn1)CC2 ZINC000338916728 1136163262 /nfs/dbraw/zinc/16/32/62/1136163262.db2.gz IFKNTURMLLUPRE-NEPJUHHUSA-N 1 2 346.862 3.564 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670029 1136187038 /nfs/dbraw/zinc/18/70/38/1136187038.db2.gz PEKCKKXPMCSCIC-YJBOKZPZSA-N 1 2 337.410 3.534 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1cscn1 ZINC000850512164 1136274038 /nfs/dbraw/zinc/27/40/38/1136274038.db2.gz XACBGAFNIUXERZ-UWVGGRQHSA-N 1 2 346.424 3.551 20 0 EHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000850572542 1136289754 /nfs/dbraw/zinc/28/97/54/1136289754.db2.gz LTDGHXCNLNPFEC-LBPRGKRZSA-N 1 2 325.403 3.548 20 0 EHADLO Cc1csc(C2([NH2+][C@@H](C)c3cnnn3-c3ccccc3)CCC2)n1 ZINC000813327577 1136322588 /nfs/dbraw/zinc/32/25/88/1136322588.db2.gz FXMPGVIJYGTLKK-AWEZNQCLSA-N 1 2 339.468 3.762 20 0 EHADLO O=C(CCCc1cccs1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397630 1136375943 /nfs/dbraw/zinc/37/59/43/1136375943.db2.gz KBVNEVCYRBCSQP-UHFFFAOYSA-N 1 2 344.480 3.926 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC(F)(F)C1 ZINC000851400987 1136376891 /nfs/dbraw/zinc/37/68/91/1136376891.db2.gz ZHYVSXZZGOJORQ-HNNXBMFYSA-N 1 2 338.398 3.667 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@H](c2ccccc2)[N@H+](C)CC)o1 ZINC000814073976 1136399241 /nfs/dbraw/zinc/39/92/41/1136399241.db2.gz GTTNHBLFHCTJBW-SFHVURJKSA-N 1 2 330.428 3.672 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)o1 ZINC000814073976 1136399245 /nfs/dbraw/zinc/39/92/45/1136399245.db2.gz GTTNHBLFHCTJBW-SFHVURJKSA-N 1 2 330.428 3.672 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC001134112044 1136408924 /nfs/dbraw/zinc/40/89/24/1136408924.db2.gz NERYFNIULJSBIT-ZDUSSCGKSA-N 1 2 342.201 3.769 20 0 EHADLO CO[C@H]1CC[C@H]([N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839615 1136412590 /nfs/dbraw/zinc/41/25/90/1136412590.db2.gz ZLXHPRQTEFQRSV-RYUDHWBXSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@H]1CC[C@H]([N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839615 1136412594 /nfs/dbraw/zinc/41/25/94/1136412594.db2.gz ZLXHPRQTEFQRSV-RYUDHWBXSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839387 1136412913 /nfs/dbraw/zinc/41/29/13/1136412913.db2.gz PQEBZAWPFCJGRN-STQMWFEESA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000851839387 1136412914 /nfs/dbraw/zinc/41/29/14/1136412914.db2.gz PQEBZAWPFCJGRN-STQMWFEESA-N 1 2 349.272 3.856 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1nnc2n1CCCCC2 ZINC000851929849 1136421005 /nfs/dbraw/zinc/42/10/05/1136421005.db2.gz RWQFEWDWYFITDZ-SNVBAGLBSA-N 1 2 340.258 3.557 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000338942421 1136438369 /nfs/dbraw/zinc/43/83/69/1136438369.db2.gz RYHWOKQKVUOOPV-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1OC(F)F)CC2 ZINC000338942421 1136438371 /nfs/dbraw/zinc/43/83/71/1136438371.db2.gz RYHWOKQKVUOOPV-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2oc(C(C)C)nc2C)n1 ZINC000814349689 1136443422 /nfs/dbraw/zinc/44/34/22/1136443422.db2.gz IEFONFMNPWDPCI-UHFFFAOYSA-N 1 2 336.461 3.657 20 0 EHADLO O=C(CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1)OCc1ccccc1 ZINC000776581363 1136444505 /nfs/dbraw/zinc/44/45/05/1136444505.db2.gz DDRUWHNJOLFABW-UHFFFAOYSA-N 1 2 349.434 3.545 20 0 EHADLO O=C(CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)OCc1ccccc1 ZINC000776581363 1136444507 /nfs/dbraw/zinc/44/45/07/1136444507.db2.gz DDRUWHNJOLFABW-UHFFFAOYSA-N 1 2 349.434 3.545 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000814373840 1136446936 /nfs/dbraw/zinc/44/69/36/1136446936.db2.gz XBTSNDCZCCZSII-DLBZAZTESA-N 1 2 345.487 3.945 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccsc1)C2)C(F)(F)F ZINC000852335550 1136450572 /nfs/dbraw/zinc/45/05/72/1136450572.db2.gz JOMFIPXAHTUSLN-UHFFFAOYSA-N 1 2 326.343 3.765 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccsc1)C2)C(F)(F)F ZINC000852335550 1136450573 /nfs/dbraw/zinc/45/05/73/1136450573.db2.gz JOMFIPXAHTUSLN-UHFFFAOYSA-N 1 2 326.343 3.765 20 0 EHADLO CCCc1nc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)cs1 ZINC000338945264 1136453942 /nfs/dbraw/zinc/45/39/42/1136453942.db2.gz UXHDCLLFYBLFNM-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO CCCc1nc(C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)cs1 ZINC000338945264 1136453944 /nfs/dbraw/zinc/45/39/44/1136453944.db2.gz UXHDCLLFYBLFNM-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccc(OC)c1 ZINC000852443414 1136456635 /nfs/dbraw/zinc/45/66/35/1136456635.db2.gz KLQZJOYLTHIKBT-OAHLLOKOSA-N 1 2 341.238 3.874 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000852549925 1136465492 /nfs/dbraw/zinc/46/54/92/1136465492.db2.gz RHAXVADNGCXQNO-MSOLQXFVSA-N 1 2 346.858 3.621 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)c1ccccn1 ZINC000852549925 1136465493 /nfs/dbraw/zinc/46/54/93/1136465493.db2.gz RHAXVADNGCXQNO-MSOLQXFVSA-N 1 2 346.858 3.621 20 0 EHADLO COc1cccc2c1[C@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000814533825 1136468232 /nfs/dbraw/zinc/46/82/32/1136468232.db2.gz HQWMRGGSHFOIAL-GOSISDBHSA-N 1 2 348.402 3.654 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852631269 1136472093 /nfs/dbraw/zinc/47/20/93/1136472093.db2.gz NVTPAJQJKSHDNI-UHFFFAOYSA-N 1 2 342.483 3.758 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000853570883 1136545320 /nfs/dbraw/zinc/54/53/20/1136545320.db2.gz IOFFJMUMONQAAU-KSSFIOAISA-N 1 2 348.874 3.534 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000853570883 1136545322 /nfs/dbraw/zinc/54/53/22/1136545322.db2.gz IOFFJMUMONQAAU-KSSFIOAISA-N 1 2 348.874 3.534 20 0 EHADLO C[N@H+](C[C@@H]1CCc2ccccc21)Cn1ncn(C(C)(C)C)c1=S ZINC000853610622 1136549157 /nfs/dbraw/zinc/54/91/57/1136549157.db2.gz QZIBBUIKONKHQG-HNNXBMFYSA-N 1 2 330.501 3.788 20 0 EHADLO C[N@@H+](C[C@@H]1CCc2ccccc21)Cn1ncn(C(C)(C)C)c1=S ZINC000853610622 1136549160 /nfs/dbraw/zinc/54/91/60/1136549160.db2.gz QZIBBUIKONKHQG-HNNXBMFYSA-N 1 2 330.501 3.788 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634617 1136551645 /nfs/dbraw/zinc/55/16/45/1136551645.db2.gz WGECKXBSOBFQAX-LPHOPBHVSA-N 1 2 341.430 3.662 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634617 1136551646 /nfs/dbraw/zinc/55/16/46/1136551646.db2.gz WGECKXBSOBFQAX-LPHOPBHVSA-N 1 2 341.430 3.662 20 0 EHADLO Cn1ncc(C[NH2+]Cc2ccc(Br)cc2Cl)c1Cl ZINC000815118960 1136552189 /nfs/dbraw/zinc/55/21/89/1136552189.db2.gz NQIGMGQOVNDHPP-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO Cc1ccc2snc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000815133412 1136559849 /nfs/dbraw/zinc/55/98/49/1136559849.db2.gz YDSPRCQVKVZHAD-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc2[nH+]ccn21 ZINC000776753438 1136635009 /nfs/dbraw/zinc/63/50/09/1136635009.db2.gz ODMQYCVAEQVNBS-CYBMUJFWSA-N 1 2 343.839 3.955 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000854662323 1136635058 /nfs/dbraw/zinc/63/50/58/1136635058.db2.gz XJDQHRNTYPNYJK-OAHLLOKOSA-N 1 2 331.847 3.620 20 0 EHADLO CCn1cc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338963063 1136639882 /nfs/dbraw/zinc/63/98/82/1136639882.db2.gz PAQPPEZFSCQJEZ-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1cc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338963063 1136639884 /nfs/dbraw/zinc/63/98/84/1136639884.db2.gz PAQPPEZFSCQJEZ-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854756923 1136642005 /nfs/dbraw/zinc/64/20/05/1136642005.db2.gz LNXIHEPDMZSAEY-OAHLLOKOSA-N 1 2 348.450 3.543 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854756923 1136642009 /nfs/dbraw/zinc/64/20/09/1136642009.db2.gz LNXIHEPDMZSAEY-OAHLLOKOSA-N 1 2 348.450 3.543 20 0 EHADLO C[C@@H](CCC(C)(C)C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381561 1136673915 /nfs/dbraw/zinc/67/39/15/1136673915.db2.gz JHXQVDDJNOXNKK-SFHVURJKSA-N 1 2 346.515 3.672 20 0 EHADLO COc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC001135587563 1136718519 /nfs/dbraw/zinc/71/85/19/1136718519.db2.gz GLMFBPUXRIHQAX-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO Cc1ccc(CCCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c(C)c1 ZINC001135668545 1136748911 /nfs/dbraw/zinc/74/89/11/1136748911.db2.gz GFLIJEOEUAOOQQ-UHFFFAOYSA-N 1 2 349.434 3.557 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2cccc(F)c2)c1C ZINC000173325213 1136759214 /nfs/dbraw/zinc/75/92/14/1136759214.db2.gz HCVQRJVHHXRUPK-ZDUSSCGKSA-N 1 2 330.403 3.608 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816920790 1136763593 /nfs/dbraw/zinc/76/35/93/1136763593.db2.gz BLRUTNIQFNFWLT-LBPRGKRZSA-N 1 2 340.452 3.570 20 0 EHADLO O=Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000817376959 1136801083 /nfs/dbraw/zinc/80/10/83/1136801083.db2.gz ODMWZIHRKTWSJH-UHFFFAOYSA-N 1 2 345.826 3.564 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cn(C)nc1Cl ZINC000856792034 1136811904 /nfs/dbraw/zinc/81/19/04/1136811904.db2.gz XIFBVERIVDTUAS-UHFFFAOYSA-N 1 2 328.243 3.760 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3F)CCN1C(=O)OC(C)(C)C ZINC001137051665 1136825120 /nfs/dbraw/zinc/82/51/20/1136825120.db2.gz ZMCMASAJCQZXSQ-CYBMUJFWSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCN1C(=O)OC(C)(C)C ZINC001137051665 1136825124 /nfs/dbraw/zinc/82/51/24/1136825124.db2.gz ZMCMASAJCQZXSQ-CYBMUJFWSA-N 1 2 347.434 3.748 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]cn2C(C)C)cc1)[C@H]1C[C@H]1C ZINC000818216861 1136866653 /nfs/dbraw/zinc/86/66/53/1136866653.db2.gz IXOUGENVBDRXML-KUHUBIRLSA-N 1 2 326.444 3.837 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c(C)c1 ZINC001205952811 1136868443 /nfs/dbraw/zinc/86/84/43/1136868443.db2.gz WTTABUIMPUZCPA-OAHLLOKOSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c(C)c1 ZINC001205952811 1136868448 /nfs/dbraw/zinc/86/84/48/1136868448.db2.gz WTTABUIMPUZCPA-OAHLLOKOSA-N 1 2 331.378 3.935 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170910130 1136882928 /nfs/dbraw/zinc/88/29/28/1136882928.db2.gz ZIDHODSAXVVLIT-BBRMVZONSA-N 1 2 341.854 3.857 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857865914 1136915054 /nfs/dbraw/zinc/91/50/54/1136915054.db2.gz QCCXMJFHHCCBJZ-MRXNPFEDSA-N 1 2 328.460 3.787 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857865914 1136915057 /nfs/dbraw/zinc/91/50/57/1136915057.db2.gz QCCXMJFHHCCBJZ-MRXNPFEDSA-N 1 2 328.460 3.787 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046470 1136934773 /nfs/dbraw/zinc/93/47/73/1136934773.db2.gz NQOBPIMYABNLDQ-INIZCTEOSA-N 1 2 341.455 3.898 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046470 1136934774 /nfs/dbraw/zinc/93/47/74/1136934774.db2.gz NQOBPIMYABNLDQ-INIZCTEOSA-N 1 2 341.455 3.898 20 0 EHADLO Cc1cc(NC[C@@H](O)c2ccccc2Br)ccc1[NH+](C)C ZINC000819407746 1136936547 /nfs/dbraw/zinc/93/65/47/1136936547.db2.gz AHWKPJOIGVHIPR-QGZVFWFLSA-N 1 2 349.272 3.969 20 0 EHADLO Cc1cc(N(C)C)[nH+]cc1NC1(C(=O)OCc2ccccc2)CCC1 ZINC001170939130 1136962636 /nfs/dbraw/zinc/96/26/36/1136962636.db2.gz RFZHAGOOVMJSDT-UHFFFAOYSA-N 1 2 339.439 3.534 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)sc1-c1ccccc1 ZINC001136302286 1136976449 /nfs/dbraw/zinc/97/64/49/1136976449.db2.gz CYWZZFHXLJSWOD-CQSZACIVSA-N 1 2 329.469 3.930 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)sc1-c1ccccc1 ZINC001136302286 1136976451 /nfs/dbraw/zinc/97/64/51/1136976451.db2.gz CYWZZFHXLJSWOD-CQSZACIVSA-N 1 2 329.469 3.930 20 0 EHADLO O=C(/C=C/c1ccccc1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820510754 1136995297 /nfs/dbraw/zinc/99/52/97/1136995297.db2.gz RPWOTPRGIPNCBM-MDZDMXLPSA-N 1 2 337.810 3.855 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2csc(C(F)(F)F)c2)c1C ZINC000858927132 1136997058 /nfs/dbraw/zinc/99/70/58/1136997058.db2.gz LRFMFBKYEFNLSE-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820681666 1137000766 /nfs/dbraw/zinc/00/07/66/1137000766.db2.gz OQCCMHYEAZPOHM-QGZVFWFLSA-N 1 2 325.456 3.693 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820681666 1137000768 /nfs/dbraw/zinc/00/07/68/1137000768.db2.gz OQCCMHYEAZPOHM-QGZVFWFLSA-N 1 2 325.456 3.693 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000820712347 1137002499 /nfs/dbraw/zinc/00/24/99/1137002499.db2.gz GXUWGWFMOHQICE-FWIFWCIWSA-N 1 2 344.377 3.511 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)OCc2ccc(Cl)cc2)C1 ZINC000859134692 1137004759 /nfs/dbraw/zinc/00/47/59/1137004759.db2.gz FKRZFMWCENGXGN-CQSZACIVSA-N 1 2 333.819 3.590 20 0 EHADLO CCCn1c(C(=O)NCC[NH+]2Cc3ccccc3C2)cc2ccccc21 ZINC001136504762 1137039459 /nfs/dbraw/zinc/03/94/59/1137039459.db2.gz NKXMNTJDGADEOZ-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000860043356 1137041729 /nfs/dbraw/zinc/04/17/29/1137041729.db2.gz UKIKUXRRNIHMTQ-SUMWQHHRSA-N 1 2 340.402 3.535 20 0 EHADLO CN(C)c1cc(COC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000860149125 1137046538 /nfs/dbraw/zinc/04/65/38/1137046538.db2.gz GRISTYWOPWEKGV-IRXDYDNUSA-N 1 2 328.387 3.524 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCC3(c4ccc(F)cc4)CCC3)ccn12 ZINC001136532915 1137047819 /nfs/dbraw/zinc/04/78/19/1137047819.db2.gz GCNKTUZSOUEXNE-UHFFFAOYSA-N 1 2 337.398 3.634 20 0 EHADLO CC[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccc(Br)cc1 ZINC000860274308 1137053156 /nfs/dbraw/zinc/05/31/56/1137053156.db2.gz VSVHRFPRSUEBLK-CQSZACIVSA-N 1 2 349.228 3.663 20 0 EHADLO Cc1cc2c[nH]nc2cc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136608272 1137067514 /nfs/dbraw/zinc/06/75/14/1137067514.db2.gz UHXRBYOJYYQYAJ-MRXNPFEDSA-N 1 2 345.406 3.755 20 0 EHADLO O=C(/C=C/C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000117660422 1137071386 /nfs/dbraw/zinc/07/13/86/1137071386.db2.gz JJODWUZOWJKLKE-DHZHZOJOSA-N 1 2 328.456 3.594 20 0 EHADLO O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000822913905 1137079129 /nfs/dbraw/zinc/07/91/29/1137079129.db2.gz HHVUXJZRTLSYML-JTQLQIEISA-N 1 2 342.201 3.924 20 0 EHADLO CC(C)=C[C@H]1[C@H](c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)C1(C)C ZINC000823397344 1137098128 /nfs/dbraw/zinc/09/81/28/1137098128.db2.gz KZBKFXBVIILDAO-SGMGOOAPSA-N 1 2 335.448 3.507 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729012 1137102547 /nfs/dbraw/zinc/10/25/47/1137102547.db2.gz PEWPWWJXUWXFLV-GPVYEGESSA-N 1 2 348.490 3.956 20 0 EHADLO CC(C)(C)c1ccc([C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(F)(F)F)cc1 ZINC000823699585 1137109905 /nfs/dbraw/zinc/10/99/05/1137109905.db2.gz JQWMLSAZWREPLR-OAHLLOKOSA-N 1 2 339.361 3.670 20 0 EHADLO CCn1nc(C)c(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)n1 ZINC000823742085 1137111439 /nfs/dbraw/zinc/11/14/39/1137111439.db2.gz IOKKWICJAGSUMA-UHFFFAOYSA-N 1 2 327.259 3.938 20 0 EHADLO S=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)cc1 ZINC000861654517 1137117319 /nfs/dbraw/zinc/11/73/19/1137117319.db2.gz TXSKYEBJDVXNDN-UHFFFAOYSA-N 1 2 346.887 3.822 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2F ZINC001137052529 1137119034 /nfs/dbraw/zinc/11/90/34/1137119034.db2.gz BXDWCGOGCLDVMP-OKILXGFUSA-N 1 2 345.418 3.501 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2F ZINC001137052529 1137119035 /nfs/dbraw/zinc/11/90/35/1137119035.db2.gz BXDWCGOGCLDVMP-OKILXGFUSA-N 1 2 345.418 3.501 20 0 EHADLO COc1ccccc1Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160340819 1137129357 /nfs/dbraw/zinc/12/93/57/1137129357.db2.gz FJZNCOHZLKRKPR-QGZVFWFLSA-N 1 2 334.366 3.815 20 0 EHADLO CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001136848596 1137130855 /nfs/dbraw/zinc/13/08/55/1137130855.db2.gz JZRMQHFXHVHWAF-OKZBNKHCSA-N 1 2 349.519 3.913 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2ccccn2)cc1 ZINC000824313868 1137131880 /nfs/dbraw/zinc/13/18/80/1137131880.db2.gz CUJIJGBBUHWQLP-NRFANRHFSA-N 1 2 332.451 3.880 20 0 EHADLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000824404579 1137135255 /nfs/dbraw/zinc/13/52/55/1137135255.db2.gz SPMBFHJSFXEUAY-PBHICJAKSA-N 1 2 327.428 3.686 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2C(F)F)c1C ZINC000824429364 1137137319 /nfs/dbraw/zinc/13/73/19/1137137319.db2.gz WONHBMIFISEBMK-UHFFFAOYSA-N 1 2 335.354 3.966 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000862312664 1137138155 /nfs/dbraw/zinc/13/81/55/1137138155.db2.gz RCXKLYISLNTSLY-OAHLLOKOSA-N 1 2 349.475 3.773 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000862312664 1137138156 /nfs/dbraw/zinc/13/81/56/1137138156.db2.gz RCXKLYISLNTSLY-OAHLLOKOSA-N 1 2 349.475 3.773 20 0 EHADLO Clc1sc(C[NH2+][C@H]2CCn3ccnc32)cc1Br ZINC000824525706 1137141445 /nfs/dbraw/zinc/14/14/45/1137141445.db2.gz CJYXCFOBTZPZAX-VIFPVBQESA-N 1 2 332.654 3.595 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000339037548 1137144113 /nfs/dbraw/zinc/14/41/13/1137144113.db2.gz PESQLHFFEQZPLD-UHFFFAOYSA-N 1 2 344.890 3.884 20 0 EHADLO COCCOC1C[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)C1 ZINC001136947687 1137153851 /nfs/dbraw/zinc/15/38/51/1137153851.db2.gz MHVDTUJNMWIOLL-UHFFFAOYSA-N 1 2 348.446 3.749 20 0 EHADLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136974505 1137159438 /nfs/dbraw/zinc/15/94/38/1137159438.db2.gz AMLKZTVVARIULA-HXUWFJFHSA-N 1 2 334.419 3.576 20 0 EHADLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136974505 1137159440 /nfs/dbraw/zinc/15/94/40/1137159440.db2.gz AMLKZTVVARIULA-HXUWFJFHSA-N 1 2 334.419 3.576 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136972818 1137161450 /nfs/dbraw/zinc/16/14/50/1137161450.db2.gz AMGDCINNMIYBKZ-UHFFFAOYSA-N 1 2 349.478 3.803 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC000825138696 1137167272 /nfs/dbraw/zinc/16/72/72/1137167272.db2.gz TYCMSQCEXFXWNP-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000825207536 1137168930 /nfs/dbraw/zinc/16/89/30/1137168930.db2.gz LBTSDAGAJHVXPZ-UHFFFAOYSA-N 1 2 347.286 3.794 20 0 EHADLO Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137020548 1137173093 /nfs/dbraw/zinc/17/30/93/1137173093.db2.gz VJRKTGBLUAJXOE-ZDUSSCGKSA-N 1 2 327.325 3.775 20 0 EHADLO Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137020548 1137173094 /nfs/dbraw/zinc/17/30/94/1137173094.db2.gz VJRKTGBLUAJXOE-ZDUSSCGKSA-N 1 2 327.325 3.775 20 0 EHADLO CC(C)C[C@H](C(=O)N1C[C@@H](C)CN(C)c2ccccc21)n1cc[nH+]c1 ZINC001137022492 1137173732 /nfs/dbraw/zinc/17/37/32/1137173732.db2.gz GZEUKLMNOFXQOB-QFBILLFUSA-N 1 2 340.471 3.589 20 0 EHADLO CC(C)C[C@H](C(=O)NCc1ccccc1OC(C)(C)C)n1cc[nH+]c1 ZINC001137031626 1137176841 /nfs/dbraw/zinc/17/68/41/1137176841.db2.gz XDMFQSYAHQVEPQ-QGZVFWFLSA-N 1 2 343.471 3.964 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000863268769 1137178744 /nfs/dbraw/zinc/17/87/44/1137178744.db2.gz JDWNCYASVVPSDT-DZGCQCFKSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000863268769 1137178745 /nfs/dbraw/zinc/17/87/45/1137178745.db2.gz JDWNCYASVVPSDT-DZGCQCFKSA-N 1 2 342.361 3.802 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143363381 1137182680 /nfs/dbraw/zinc/18/26/80/1137182680.db2.gz SOFZXKMFASOCAI-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143363381 1137182681 /nfs/dbraw/zinc/18/26/81/1137182681.db2.gz SOFZXKMFASOCAI-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)no1 ZINC001143626484 1137185937 /nfs/dbraw/zinc/18/59/37/1137185937.db2.gz WVTABOGWIVCATG-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000119444812 1137186018 /nfs/dbraw/zinc/18/60/18/1137186018.db2.gz GDNUGBQIGNXPNT-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C1 ZINC000119444812 1137186019 /nfs/dbraw/zinc/18/60/19/1137186019.db2.gz GDNUGBQIGNXPNT-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1Br ZINC001143661092 1137187267 /nfs/dbraw/zinc/18/72/67/1137187267.db2.gz PHCZVCPBUOOAJO-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1Br ZINC001143661092 1137187268 /nfs/dbraw/zinc/18/72/68/1137187268.db2.gz PHCZVCPBUOOAJO-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(N(CC2CC2)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1F ZINC000863602197 1137193962 /nfs/dbraw/zinc/19/39/62/1137193962.db2.gz CYHMCWBLMGCJHT-UHFFFAOYSA-N 1 2 341.430 3.653 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863619315 1137195345 /nfs/dbraw/zinc/19/53/45/1137195345.db2.gz WWPNTGCWVBOZAS-SECBINFHSA-N 1 2 329.347 3.839 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863619315 1137195346 /nfs/dbraw/zinc/19/53/46/1137195346.db2.gz WWPNTGCWVBOZAS-SECBINFHSA-N 1 2 329.347 3.839 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000119584499 1137199028 /nfs/dbraw/zinc/19/90/28/1137199028.db2.gz VVMRKDNDPZITOM-CQSZACIVSA-N 1 2 336.530 3.716 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000119584499 1137199029 /nfs/dbraw/zinc/19/90/29/1137199029.db2.gz VVMRKDNDPZITOM-CQSZACIVSA-N 1 2 336.530 3.716 20 0 EHADLO C[C@H]1Cc2cc(-c3ccc(NCCCn4cc[nH+]c4)nc3)ccc2O1 ZINC000863679073 1137199157 /nfs/dbraw/zinc/19/91/57/1137199157.db2.gz NDOKVKMLYXLNDL-HNNXBMFYSA-N 1 2 334.423 3.771 20 0 EHADLO CC(=O)N1CC[C@H]([N@@H+](Cc2c(F)ccc(Cl)c2Cl)C(C)C)C1 ZINC001143866882 1137206469 /nfs/dbraw/zinc/20/64/69/1137206469.db2.gz OERNGWGKIVWIDO-LBPRGKRZSA-N 1 2 347.261 3.964 20 0 EHADLO CC(=O)N1CC[C@H]([N@H+](Cc2c(F)ccc(Cl)c2Cl)C(C)C)C1 ZINC001143866882 1137206470 /nfs/dbraw/zinc/20/64/70/1137206470.db2.gz OERNGWGKIVWIDO-LBPRGKRZSA-N 1 2 347.261 3.964 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)cc1OC(F)(F)F ZINC001143878362 1137207969 /nfs/dbraw/zinc/20/79/69/1137207969.db2.gz DORGZCSWQNHWRL-ZDUSSCGKSA-N 1 2 331.334 3.537 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)cc1OC(F)(F)F ZINC001143878362 1137207970 /nfs/dbraw/zinc/20/79/70/1137207970.db2.gz DORGZCSWQNHWRL-ZDUSSCGKSA-N 1 2 331.334 3.537 20 0 EHADLO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844321729 1137212290 /nfs/dbraw/zinc/21/22/90/1137212290.db2.gz YTAXTMVQGFJFRB-CYBMUJFWSA-N 1 2 339.361 3.902 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1C ZINC001143925041 1137215667 /nfs/dbraw/zinc/21/56/67/1137215667.db2.gz XNJFBOFFCJAYQF-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1C ZINC001143925041 1137215669 /nfs/dbraw/zinc/21/56/69/1137215669.db2.gz XNJFBOFFCJAYQF-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143957082 1137218636 /nfs/dbraw/zinc/21/86/36/1137218636.db2.gz IBMPFIYZGASHJP-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143957082 1137218638 /nfs/dbraw/zinc/21/86/38/1137218638.db2.gz IBMPFIYZGASHJP-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO CCc1nnc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)s1 ZINC000794669969 1137222559 /nfs/dbraw/zinc/22/25/59/1137222559.db2.gz XOYYHEUEOVIANH-MOPGFXCFSA-N 1 2 339.464 3.665 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000794669726 1137222801 /nfs/dbraw/zinc/22/28/01/1137222801.db2.gz TXTMTZIGZLVKOI-DDTOSNHZSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000794669726 1137222803 /nfs/dbraw/zinc/22/28/03/1137222803.db2.gz TXTMTZIGZLVKOI-DDTOSNHZSA-N 1 2 346.780 3.844 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844441206 1137223663 /nfs/dbraw/zinc/22/36/63/1137223663.db2.gz YZNGKBBYBCEOQJ-LRDDRELGSA-N 1 2 326.362 3.582 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844441206 1137223664 /nfs/dbraw/zinc/22/36/64/1137223664.db2.gz YZNGKBBYBCEOQJ-LRDDRELGSA-N 1 2 326.362 3.582 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001143996200 1137226872 /nfs/dbraw/zinc/22/68/72/1137226872.db2.gz KBCDTBBEIAZZEL-UHFFFAOYSA-N 1 2 337.288 3.825 20 0 EHADLO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](F)C3)s2)cc1OC ZINC001144064536 1137234100 /nfs/dbraw/zinc/23/41/00/1137234100.db2.gz ISAVJRJDYSSZEN-CYBMUJFWSA-N 1 2 336.432 3.761 20 0 EHADLO COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](F)C3)s2)cc1OC ZINC001144064536 1137234101 /nfs/dbraw/zinc/23/41/01/1137234101.db2.gz ISAVJRJDYSSZEN-CYBMUJFWSA-N 1 2 336.432 3.761 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844692950 1137244775 /nfs/dbraw/zinc/24/47/75/1137244775.db2.gz OFRCDGFTCRKGGR-NSHDSACASA-N 1 2 325.865 3.561 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844692950 1137244776 /nfs/dbraw/zinc/24/47/76/1137244776.db2.gz OFRCDGFTCRKGGR-NSHDSACASA-N 1 2 325.865 3.561 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(C(F)F)n(C)c2=S)CCc2ccccc21 ZINC000844743320 1137249105 /nfs/dbraw/zinc/24/91/05/1137249105.db2.gz VFOWORKZLDHRKQ-NSHDSACASA-N 1 2 338.427 3.508 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(C(F)F)n(C)c2=S)CCc2ccccc21 ZINC000844743320 1137249107 /nfs/dbraw/zinc/24/91/07/1137249107.db2.gz VFOWORKZLDHRKQ-NSHDSACASA-N 1 2 338.427 3.508 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@H+](Cc3[nH]nc4ccc(F)cc43)CCO2)cc1 ZINC001144201524 1137250473 /nfs/dbraw/zinc/25/04/73/1137250473.db2.gz BUIBPLIERRIBQV-HXUWFJFHSA-N 1 2 339.414 3.758 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3[nH]nc4ccc(F)cc43)CCO2)cc1 ZINC001144201524 1137250475 /nfs/dbraw/zinc/25/04/75/1137250475.db2.gz BUIBPLIERRIBQV-HXUWFJFHSA-N 1 2 339.414 3.758 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865066071 1137261289 /nfs/dbraw/zinc/26/12/89/1137261289.db2.gz ZMUVDQLHUHZHOF-WAYWQWQTSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065903 1137261361 /nfs/dbraw/zinc/26/13/61/1137261361.db2.gz YCWZHKRZACZDLJ-UHFFFAOYSA-N 1 2 334.423 3.788 20 0 EHADLO O=C1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@@H]1F ZINC001171158828 1137270019 /nfs/dbraw/zinc/27/00/19/1137270019.db2.gz SMFYSBJFIJEJNX-WFASDCNBSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@@H]1F ZINC001171158828 1137270020 /nfs/dbraw/zinc/27/00/20/1137270020.db2.gz SMFYSBJFIJEJNX-WFASDCNBSA-N 1 2 330.230 3.854 20 0 EHADLO CC(C)Oc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cn1 ZINC000865414758 1137281367 /nfs/dbraw/zinc/28/13/67/1137281367.db2.gz BDAKQTJNPSNYAN-UHFFFAOYSA-N 1 2 326.227 3.860 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865431139 1137282940 /nfs/dbraw/zinc/28/29/40/1137282940.db2.gz DXDRVMDRTFPRGB-UHFFFAOYSA-N 1 2 340.652 3.924 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000845277924 1137283409 /nfs/dbraw/zinc/28/34/09/1137283409.db2.gz KVLDNZJHZRGSSH-DYWHQCQKSA-N 1 2 344.455 3.551 20 0 EHADLO CN(c1ccc(Nc2ccc3c(c2)CNC3=O)c[nH+]1)C1CCCCC1 ZINC001212613988 1137290723 /nfs/dbraw/zinc/29/07/23/1137290723.db2.gz AJWYEZPCYXAWAU-UHFFFAOYSA-N 1 2 336.439 3.838 20 0 EHADLO C[C@@H](CC(=O)O[C@@H]1CCc2cc(Br)ccc21)n1cc[nH+]c1 ZINC000845463957 1137293716 /nfs/dbraw/zinc/29/37/16/1137293716.db2.gz UGJFJQNIBRLKMP-XHDPSFHLSA-N 1 2 349.228 3.827 20 0 EHADLO CC(=O)Nc1cncc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)c1 ZINC001212614180 1137293748 /nfs/dbraw/zinc/29/37/48/1137293748.db2.gz HNFHVRLLZYXCLM-UHFFFAOYSA-N 1 2 339.443 3.948 20 0 EHADLO CC(C)S[C@H]1CCCC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845511136 1137297544 /nfs/dbraw/zinc/29/75/44/1137297544.db2.gz QPRLYVUHFFFZMH-CVEARBPZSA-N 1 2 336.501 3.758 20 0 EHADLO COCc1ccccc1/C=C(\C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845578957 1137299666 /nfs/dbraw/zinc/29/96/66/1137299666.db2.gz NHHOEQXPCZHVPG-KMPOOHAWSA-N 1 2 328.412 3.627 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2)Cc2ccccc21 ZINC001144489812 1137300250 /nfs/dbraw/zinc/30/02/50/1137300250.db2.gz PDHKHSTZIYISIK-SFHVURJKSA-N 1 2 345.826 3.621 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2)Cc2ccccc21 ZINC001144489812 1137300251 /nfs/dbraw/zinc/30/02/51/1137300251.db2.gz PDHKHSTZIYISIK-SFHVURJKSA-N 1 2 345.826 3.621 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1OCc1ccccc1 ZINC001144500075 1137301284 /nfs/dbraw/zinc/30/12/84/1137301284.db2.gz OIEQARJYMSYXTH-RTBURBONSA-N 1 2 339.435 3.637 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1OCc1ccccc1 ZINC001144500075 1137301285 /nfs/dbraw/zinc/30/12/85/1137301285.db2.gz OIEQARJYMSYXTH-RTBURBONSA-N 1 2 339.435 3.637 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@H](CC)c3ccccc3C)nc2[nH]1 ZINC001171197107 1137302689 /nfs/dbraw/zinc/30/26/89/1137302689.db2.gz CQGDINUJSAYJIE-OAHLLOKOSA-N 1 2 338.411 3.958 20 0 EHADLO Oc1cc(F)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC001144541669 1137307128 /nfs/dbraw/zinc/30/71/28/1137307128.db2.gz JLWSWGCQGNBZSV-QPJJXVBHSA-N 1 2 344.405 3.501 20 0 EHADLO CC[C@@H](COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)CC(F)F ZINC000845762871 1137309507 /nfs/dbraw/zinc/30/95/07/1137309507.db2.gz LWJMPGVJXMZITR-SNVBAGLBSA-N 1 2 346.324 3.848 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)n1 ZINC001144596073 1137312056 /nfs/dbraw/zinc/31/20/56/1137312056.db2.gz KOMYXKGRKFOUPD-UHFFFAOYSA-N 1 2 349.219 3.720 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2CCC(F)(F)C(C)(C)C2)n1 ZINC001144596073 1137312058 /nfs/dbraw/zinc/31/20/58/1137312058.db2.gz KOMYXKGRKFOUPD-UHFFFAOYSA-N 1 2 349.219 3.720 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000865806702 1137313025 /nfs/dbraw/zinc/31/30/25/1137313025.db2.gz MNBUKBQRICHGSS-UHFFFAOYSA-N 1 2 325.306 3.728 20 0 EHADLO Fc1ccc2c(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)noc2c1 ZINC000865836508 1137315441 /nfs/dbraw/zinc/31/54/41/1137315441.db2.gz HWRRJGRLVCCLTO-AWEZNQCLSA-N 1 2 333.388 3.565 20 0 EHADLO CSc1ccc(C[NH2+]Cc2ncc(Br)s2)s1 ZINC000865850101 1137316637 /nfs/dbraw/zinc/31/66/37/1137316637.db2.gz UJTMTDAIEBUDNS-UHFFFAOYSA-N 1 2 335.317 3.979 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cs1 ZINC000865879350 1137318557 /nfs/dbraw/zinc/31/85/57/1137318557.db2.gz NLECXDYMUHLDEJ-UHFFFAOYSA-N 1 2 331.485 3.710 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2c(F)cccc2F)cc1F ZINC000845928596 1137320794 /nfs/dbraw/zinc/32/07/94/1137320794.db2.gz ONNBPPQEQKJAJX-SNVBAGLBSA-N 1 2 325.330 3.972 20 0 EHADLO C[C@H](CNC(=O)CCc1ccc(F)c2ccccc12)Cn1cc[nH+]c1 ZINC000866001442 1137323959 /nfs/dbraw/zinc/32/39/59/1137323959.db2.gz APYAYZGAWDLCQS-OAHLLOKOSA-N 1 2 339.414 3.561 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000846019996 1137326638 /nfs/dbraw/zinc/32/66/38/1137326638.db2.gz ZEYYGRIERYQLAO-UKRRQHHQSA-N 1 2 331.847 3.583 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000846116778 1137333802 /nfs/dbraw/zinc/33/38/02/1137333802.db2.gz HNWAXXCLPBAXED-HOCLYGCPSA-N 1 2 349.475 3.818 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000866230855 1137336797 /nfs/dbraw/zinc/33/67/97/1137336797.db2.gz FUYDRWSAKQDAHO-DNVCBOLYSA-N 1 2 331.387 3.655 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000866243834 1137338729 /nfs/dbraw/zinc/33/87/29/1137338729.db2.gz UNDQVXOVZDMKEU-VRHCTWJESA-N 1 2 331.387 3.826 20 0 EHADLO Cc1ccnn1C1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144731842 1137339557 /nfs/dbraw/zinc/33/95/57/1137339557.db2.gz BJRYCLMNDJZNIB-UHFFFAOYSA-N 1 2 325.790 3.960 20 0 EHADLO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1n[nH]cc1Br ZINC000866270226 1137341408 /nfs/dbraw/zinc/34/14/08/1137341408.db2.gz VBSLCHPKUYODGS-BJOHPYRUSA-N 1 2 338.224 3.725 20 0 EHADLO COc1c(F)ccc(F)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001144745177 1137341822 /nfs/dbraw/zinc/34/18/22/1137341822.db2.gz QXQLJVFFPJPFDN-UHFFFAOYSA-N 1 2 347.405 3.543 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC000846298336 1137346056 /nfs/dbraw/zinc/34/60/56/1137346056.db2.gz FFQXXAPNUUPRSO-QGZVFWFLSA-N 1 2 325.456 3.752 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccn1 ZINC000866334637 1137346764 /nfs/dbraw/zinc/34/67/64/1137346764.db2.gz WECCJBHQTYICKW-GQIGUUNPSA-N 1 2 340.471 3.899 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000866451049 1137355790 /nfs/dbraw/zinc/35/57/90/1137355790.db2.gz OGKGSQNABBATGQ-SSDMNJCBSA-N 1 2 334.489 3.672 20 0 EHADLO CC[N@H+](Cc1nnc(-c2cccc(OC)c2)o1)Cc1occc1C ZINC001171240179 1137360645 /nfs/dbraw/zinc/36/06/45/1137360645.db2.gz KIFHNMCCRREZTP-UHFFFAOYSA-N 1 2 327.384 3.669 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2cccc(OC)c2)o1)Cc1occc1C ZINC001171240179 1137360647 /nfs/dbraw/zinc/36/06/47/1137360647.db2.gz KIFHNMCCRREZTP-UHFFFAOYSA-N 1 2 327.384 3.669 20 0 EHADLO C[C@]1(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@]1(F)Cl ZINC000846657595 1137360929 /nfs/dbraw/zinc/36/09/29/1137360929.db2.gz DSFPCEDSLMDOTQ-WBAXXEDZSA-N 1 2 349.837 3.753 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC001144927961 1137364475 /nfs/dbraw/zinc/36/44/75/1137364475.db2.gz UHZOWCMZVGRUCJ-UWVAXJGDSA-N 1 2 344.499 3.727 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cnn1-c1ccccc1 ZINC000866562456 1137365021 /nfs/dbraw/zinc/36/50/21/1137365021.db2.gz BQFFGQQYORGVHR-LBPRGKRZSA-N 1 2 345.397 3.703 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000866581454 1137366507 /nfs/dbraw/zinc/36/65/07/1137366507.db2.gz ILNAXTILXAGBNR-FRQCXROJSA-N 1 2 343.446 3.701 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846825405 1137367041 /nfs/dbraw/zinc/36/70/41/1137367041.db2.gz VFSXWXSJGVHFMB-AWEZNQCLSA-N 1 2 341.484 3.848 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846825405 1137367042 /nfs/dbraw/zinc/36/70/42/1137367042.db2.gz VFSXWXSJGVHFMB-AWEZNQCLSA-N 1 2 341.484 3.848 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811980 1137368922 /nfs/dbraw/zinc/36/89/22/1137368922.db2.gz QUVAICNFBUZHPU-RKFFSXRUSA-N 1 2 340.851 3.805 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811980 1137368924 /nfs/dbraw/zinc/36/89/24/1137368924.db2.gz QUVAICNFBUZHPU-RKFFSXRUSA-N 1 2 340.851 3.805 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000866626462 1137371156 /nfs/dbraw/zinc/37/11/56/1137371156.db2.gz MRWSRNMXXAFSMC-RBUKOAKNSA-N 1 2 329.488 3.592 20 0 EHADLO Cc1cc(C(C)(C)[NH2+]Cc2cnsn2)ccc1Br ZINC000846909537 1137377030 /nfs/dbraw/zinc/37/70/30/1137377030.db2.gz HFQCSMYRRLWXGP-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nc(-c2cccs2)no1)OCC ZINC000846970882 1137377487 /nfs/dbraw/zinc/37/74/87/1137377487.db2.gz MLCOJIQAPNMRDO-GFCCVEGCSA-N 1 2 339.461 3.580 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nc(-c2cccs2)no1)OCC ZINC000846970882 1137377489 /nfs/dbraw/zinc/37/74/89/1137377489.db2.gz MLCOJIQAPNMRDO-GFCCVEGCSA-N 1 2 339.461 3.580 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1)OCC ZINC000846967458 1137379815 /nfs/dbraw/zinc/37/98/15/1137379815.db2.gz DBQNUSGPJDRZBY-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1)OCC ZINC000846967458 1137379817 /nfs/dbraw/zinc/37/98/17/1137379817.db2.gz DBQNUSGPJDRZBY-HNNXBMFYSA-N 1 2 347.459 3.827 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001146685051 1137393123 /nfs/dbraw/zinc/39/31/23/1137393123.db2.gz DDTFJSHAWGIRCS-UHFFFAOYSA-N 1 2 344.374 3.931 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC2 ZINC001171291787 1137396782 /nfs/dbraw/zinc/39/67/82/1137396782.db2.gz GRJZKFNVKBPBJO-NWDGAFQWSA-N 1 2 339.863 3.526 20 0 EHADLO C[C@@H](CNC(=O)c1cc(Cl)cc2ccccc21)Cn1cc[nH+]c1 ZINC001147456478 1137407622 /nfs/dbraw/zinc/40/76/22/1137407622.db2.gz RTNPKSDIRPKKIV-ZDUSSCGKSA-N 1 2 327.815 3.756 20 0 EHADLO COc1cccc2c1C[C@H](Nc1cc[nH+]c3c(OC)cccc13)CO2 ZINC001171317192 1137415245 /nfs/dbraw/zinc/41/52/45/1137415245.db2.gz UYOWSHVUCWVLGY-ZDUSSCGKSA-N 1 2 336.391 3.668 20 0 EHADLO C/C(=C\c1ccc(Br)o1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000868909067 1137428266 /nfs/dbraw/zinc/42/82/66/1137428266.db2.gz AVAIGXQNMKKCDB-UXBLZVDNSA-N 1 2 349.228 3.774 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(-c2ccc(O)cc2)cc1 ZINC001148877263 1137436091 /nfs/dbraw/zinc/43/60/91/1137436091.db2.gz JEXVNBFVCCLAJB-UHFFFAOYSA-N 1 2 329.359 3.959 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000348110847 1137441593 /nfs/dbraw/zinc/44/15/93/1137441593.db2.gz NSHPFWNHAGIVIZ-FQEVSTJZSA-N 1 2 337.467 3.657 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000348110847 1137441594 /nfs/dbraw/zinc/44/15/94/1137441594.db2.gz NSHPFWNHAGIVIZ-FQEVSTJZSA-N 1 2 337.467 3.657 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1Br ZINC000773086431 1137464470 /nfs/dbraw/zinc/46/44/70/1137464470.db2.gz IXVQBDFAYJRBJZ-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CSc1cc(NCc2ccccc2OC2CCOCC2)nc(C)[nH+]1 ZINC001171380728 1137464617 /nfs/dbraw/zinc/46/46/17/1137464617.db2.gz VZNHMTWLIFYIIM-UHFFFAOYSA-N 1 2 345.468 3.677 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465436 1137489949 /nfs/dbraw/zinc/48/99/49/1137489949.db2.gz JRRKTAJGWAFYLM-HNNXBMFYSA-N 1 2 325.399 3.535 20 0 EHADLO c1cncc(N2CCC(Nc3cccc(Cc4ccncc4)[nH+]3)CC2)c1 ZINC001171468506 1137492589 /nfs/dbraw/zinc/49/25/89/1137492589.db2.gz DHIGANGQHKQIOE-UHFFFAOYSA-N 1 2 345.450 3.543 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@@H]2CCCC[C@@H]12 ZINC001171534543 1137493867 /nfs/dbraw/zinc/49/38/67/1137493867.db2.gz WOSOZTXIBIDKOA-XJKCOSOUSA-N 1 2 337.385 3.795 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@@H]2CCCC[C@@H]12 ZINC001171534543 1137493869 /nfs/dbraw/zinc/49/38/69/1137493869.db2.gz WOSOZTXIBIDKOA-XJKCOSOUSA-N 1 2 337.385 3.795 20 0 EHADLO CSCC[C@H]([NH2+][C@@H]1CCc2c(C)cccc2C1)C(=O)OC(C)C ZINC001171561053 1137498005 /nfs/dbraw/zinc/49/80/05/1137498005.db2.gz WIFUOTQRTKWKSD-AEFFLSMTSA-N 1 2 335.513 3.515 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171810982 1137514260 /nfs/dbraw/zinc/51/42/60/1137514260.db2.gz FGSDRJPLPIIAEV-KXBFYZLASA-N 1 2 342.433 3.811 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(Br)nc1 ZINC000872114124 1137572031 /nfs/dbraw/zinc/57/20/31/1137572031.db2.gz VSYJZBPNBVIBEL-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(C(C)C)nc2C)CC12CCC2 ZINC001171906559 1137517916 /nfs/dbraw/zinc/51/79/16/1137517916.db2.gz MSTVKGFFDNHNQQ-FQEVSTJZSA-N 1 2 348.462 3.771 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccc(C(C)C)nc2C)CC12CCC2 ZINC001171906559 1137517918 /nfs/dbraw/zinc/51/79/18/1137517918.db2.gz MSTVKGFFDNHNQQ-FQEVSTJZSA-N 1 2 348.462 3.771 20 0 EHADLO FC1(F)CC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171990036 1137522350 /nfs/dbraw/zinc/52/23/50/1137522350.db2.gz LROILLYQAPDNJR-UHFFFAOYSA-N 1 2 345.231 3.759 20 0 EHADLO FC1(F)CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171990036 1137522351 /nfs/dbraw/zinc/52/23/51/1137522351.db2.gz LROILLYQAPDNJR-UHFFFAOYSA-N 1 2 345.231 3.759 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2noc3c2CC(C)(C)CC3)c(C)[nH+]1 ZINC000871611189 1137549199 /nfs/dbraw/zinc/54/91/99/1137549199.db2.gz NWAPPYJHGQJPSW-QHCPKHFHSA-N 1 2 332.469 3.650 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1nnc(C)o1 ZINC001172365583 1137554693 /nfs/dbraw/zinc/55/46/93/1137554693.db2.gz BWNPNYAQDUYPFJ-GGKPKWOWSA-N 1 2 329.444 3.890 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C(C)(C)c2ccncc2)no1)c1ccccc1 ZINC000871856463 1137560873 /nfs/dbraw/zinc/56/08/73/1137560873.db2.gz PIOFGIFMRVQQBN-KRWDZBQOSA-N 1 2 336.439 3.832 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C(C)(C)c2ccncc2)no1)c1ccccc1 ZINC000871856463 1137560874 /nfs/dbraw/zinc/56/08/74/1137560874.db2.gz PIOFGIFMRVQQBN-KRWDZBQOSA-N 1 2 336.439 3.832 20 0 EHADLO C/C=C\c1ccc(OC[C@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871990132 1137564241 /nfs/dbraw/zinc/56/42/41/1137564241.db2.gz XJGHSWWYBZGHEM-MWWKQMNYSA-N 1 2 344.455 3.662 20 0 EHADLO CC[C@H]([NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000872060001 1137568759 /nfs/dbraw/zinc/56/87/59/1137568759.db2.gz MJHNAXKQBXYHKN-CLWJZODNSA-N 1 2 332.488 3.917 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(Cl)s2)cc1NC(C)=O ZINC000872117107 1137572282 /nfs/dbraw/zinc/57/22/82/1137572282.db2.gz YQYNVMQHSIKPKO-VIFPVBQESA-N 1 2 339.848 3.614 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1Cl ZINC000872254992 1137576380 /nfs/dbraw/zinc/57/63/80/1137576380.db2.gz NPUAJWAIHVEUJK-ZDUSSCGKSA-N 1 2 335.826 3.501 20 0 EHADLO CCCCn1nc(C)c(C[N@H+]2CCO[C@H](C(F)F)CC2)c1Cl ZINC000872254992 1137576381 /nfs/dbraw/zinc/57/63/81/1137576381.db2.gz NPUAJWAIHVEUJK-ZDUSSCGKSA-N 1 2 335.826 3.501 20 0 EHADLO Cc1cc(N[C@H](C)c2ccncc2Br)nc(C2CC2)[nH+]1 ZINC000872767040 1137584081 /nfs/dbraw/zinc/58/40/81/1137584081.db2.gz IILOMHARWAADRX-SNVBAGLBSA-N 1 2 333.233 3.993 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873175891 1137592525 /nfs/dbraw/zinc/59/25/25/1137592525.db2.gz WACIUNMYVXXDPM-UHFFFAOYSA-N 1 2 344.365 3.521 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1C ZINC000874105945 1137610567 /nfs/dbraw/zinc/61/05/67/1137610567.db2.gz RTMMILYBTPDEOR-CQSZACIVSA-N 1 2 325.334 3.656 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000874345510 1137613225 /nfs/dbraw/zinc/61/32/25/1137613225.db2.gz AGXYMUQGYAXFNO-MRXNPFEDSA-N 1 2 327.428 3.538 20 0 EHADLO CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC(F)(F)C1 ZINC000874442031 1137614102 /nfs/dbraw/zinc/61/41/02/1137614102.db2.gz IHYFPDDRUWULME-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO CCc1c(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cnn1CC(C)C ZINC000125734949 1137643426 /nfs/dbraw/zinc/64/34/26/1137643426.db2.gz FSJCVWCNIAVHST-UHFFFAOYSA-N 1 2 344.463 3.515 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[C@@H]2C=CCC2)c1C ZINC000876342778 1137649401 /nfs/dbraw/zinc/64/94/01/1137649401.db2.gz WHYNRYDKBXJGNS-MRXNPFEDSA-N 1 2 331.460 3.595 20 0 EHADLO Cc1cc([NH2+]C2CC(n3cccn3)C2)ccc1N1CCSCC1 ZINC000876855531 1137663870 /nfs/dbraw/zinc/66/38/70/1137663870.db2.gz UWUFBGVZTSPUGQ-UHFFFAOYSA-N 1 2 328.485 3.560 20 0 EHADLO CCc1nnc(-c2cccc(NCc3[nH+]cc(C)c(OC)c3C)c2)o1 ZINC000876866725 1137664146 /nfs/dbraw/zinc/66/41/46/1137664146.db2.gz KWLLVACGDUFDFX-UHFFFAOYSA-N 1 2 338.411 3.932 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)cs1 ZINC000877074234 1137669497 /nfs/dbraw/zinc/66/94/97/1137669497.db2.gz DCOLVJVGUPGNGV-VIFPVBQESA-N 1 2 337.832 3.935 20 0 EHADLO Cc1ccnc(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)n1 ZINC000877330184 1137674491 /nfs/dbraw/zinc/67/44/91/1137674491.db2.gz AOJOTYXYPCUZOG-UHFFFAOYSA-N 1 2 337.254 3.866 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CCS1 ZINC000877475630 1137677573 /nfs/dbraw/zinc/67/75/73/1137677573.db2.gz KKFWBZSQPSILHW-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CCS1 ZINC000877475630 1137677574 /nfs/dbraw/zinc/67/75/74/1137677574.db2.gz KKFWBZSQPSILHW-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503425 1137678950 /nfs/dbraw/zinc/67/89/50/1137678950.db2.gz LTBUNLYFEQGGBK-ZDUSSCGKSA-N 1 2 332.341 3.784 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503425 1137678951 /nfs/dbraw/zinc/67/89/51/1137678951.db2.gz LTBUNLYFEQGGBK-ZDUSSCGKSA-N 1 2 332.341 3.784 20 0 EHADLO Clc1csc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000877530393 1137680031 /nfs/dbraw/zinc/68/00/31/1137680031.db2.gz DCMIZHNGHYKCSE-LBPRGKRZSA-N 1 2 332.860 3.811 20 0 EHADLO Clc1csc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000877530393 1137680032 /nfs/dbraw/zinc/68/00/32/1137680032.db2.gz DCMIZHNGHYKCSE-LBPRGKRZSA-N 1 2 332.860 3.811 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cccnc2Br)[C@@H](c2ccccc2)C1 ZINC000877672437 1137685266 /nfs/dbraw/zinc/68/52/66/1137685266.db2.gz FBOHNYYPJNMFGT-HZPDHXFCSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cccnc2Br)[C@@H](c2ccccc2)C1 ZINC000877672437 1137685267 /nfs/dbraw/zinc/68/52/67/1137685267.db2.gz FBOHNYYPJNMFGT-HZPDHXFCSA-N 1 2 347.256 3.542 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000877757626 1137688397 /nfs/dbraw/zinc/68/83/97/1137688397.db2.gz OXILWVDIUBZUEY-OAQYLSRUSA-N 1 2 337.419 3.545 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000877757626 1137688398 /nfs/dbraw/zinc/68/83/98/1137688398.db2.gz OXILWVDIUBZUEY-OAQYLSRUSA-N 1 2 337.419 3.545 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000877775592 1137689246 /nfs/dbraw/zinc/68/92/46/1137689246.db2.gz VYHKZSOTFDGPRS-SIKLNZKXSA-N 1 2 349.478 3.571 20 0 EHADLO Cc1cc(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 ZINC000877780529 1137689598 /nfs/dbraw/zinc/68/95/98/1137689598.db2.gz UEWDHGZWHOIQDK-UHFFFAOYSA-N 1 2 349.521 3.803 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(C)nc(Cl)c1)CC2 ZINC000877816291 1137691278 /nfs/dbraw/zinc/69/12/78/1137691278.db2.gz ATOBJVIYICVSPZ-UHFFFAOYSA-N 1 2 329.831 3.560 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(C)nc(Cl)c1)CC2 ZINC000877816291 1137691279 /nfs/dbraw/zinc/69/12/79/1137691279.db2.gz ATOBJVIYICVSPZ-UHFFFAOYSA-N 1 2 329.831 3.560 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccsc3)cs2)n1 ZINC000877961044 1137697244 /nfs/dbraw/zinc/69/72/44/1137697244.db2.gz HWAQIJPBXPZQED-OAHLLOKOSA-N 1 2 330.482 3.942 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccsc3)cs2)n1 ZINC000877961044 1137697245 /nfs/dbraw/zinc/69/72/45/1137697245.db2.gz HWAQIJPBXPZQED-OAHLLOKOSA-N 1 2 330.482 3.942 20 0 EHADLO Oc1ccc(CCC2CC[NH+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000877965041 1137697438 /nfs/dbraw/zinc/69/74/38/1137697438.db2.gz WQWKHZZHVQJYAT-UHFFFAOYSA-N 1 2 349.425 3.699 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877981690 1137698313 /nfs/dbraw/zinc/69/83/13/1137698313.db2.gz VSVCQKNZPNZVOS-ZWKOTPCHSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877981690 1137698314 /nfs/dbraw/zinc/69/83/14/1137698314.db2.gz VSVCQKNZPNZVOS-ZWKOTPCHSA-N 1 2 339.439 3.579 20 0 EHADLO C=C/C=C\CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300440 1137710431 /nfs/dbraw/zinc/71/04/31/1137710431.db2.gz DUWQXOAMTYMSQU-YKZUCCNHSA-N 1 2 343.471 3.550 20 0 EHADLO C=C/C=C\CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300440 1137710432 /nfs/dbraw/zinc/71/04/32/1137710432.db2.gz DUWQXOAMTYMSQU-YKZUCCNHSA-N 1 2 343.471 3.550 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)c1 ZINC000878356129 1137712402 /nfs/dbraw/zinc/71/24/02/1137712402.db2.gz MYALQKMOTQHKQI-CYBMUJFWSA-N 1 2 339.395 3.692 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405434 1137714564 /nfs/dbraw/zinc/71/45/64/1137714564.db2.gz ZYBWJWPRBKTRTH-BBRMVZONSA-N 1 2 335.398 3.740 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405434 1137714565 /nfs/dbraw/zinc/71/45/65/1137714565.db2.gz ZYBWJWPRBKTRTH-BBRMVZONSA-N 1 2 335.398 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+]C(C)(C)c2c(C)noc2C)co1 ZINC000878612884 1137722307 /nfs/dbraw/zinc/72/23/07/1137722307.db2.gz BOPKWMCCCBZHPV-UHFFFAOYSA-N 1 2 341.411 3.980 20 0 EHADLO CC(C)c1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)no1 ZINC000878825111 1137729313 /nfs/dbraw/zinc/72/93/13/1137729313.db2.gz XFEKZFPXESSJHQ-HNNXBMFYSA-N 1 2 339.399 3.558 20 0 EHADLO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921263 1137732172 /nfs/dbraw/zinc/73/21/72/1137732172.db2.gz OIXABWAZRVOPTN-OLZOCXBDSA-N 1 2 343.393 3.980 20 0 EHADLO CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921263 1137732173 /nfs/dbraw/zinc/73/21/73/1137732173.db2.gz OIXABWAZRVOPTN-OLZOCXBDSA-N 1 2 343.393 3.980 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977792 1137734125 /nfs/dbraw/zinc/73/41/25/1137734125.db2.gz LWMRZSZDEDTDKI-LSDHHAIUSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977792 1137734126 /nfs/dbraw/zinc/73/41/26/1137734126.db2.gz LWMRZSZDEDTDKI-LSDHHAIUSA-N 1 2 338.238 3.654 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC000878997382 1137734626 /nfs/dbraw/zinc/73/46/26/1137734626.db2.gz DLDBQVYMQILVOQ-GVDBMIGSSA-N 1 2 343.389 3.950 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC000878997382 1137734627 /nfs/dbraw/zinc/73/46/27/1137734627.db2.gz DLDBQVYMQILVOQ-GVDBMIGSSA-N 1 2 343.389 3.950 20 0 EHADLO COCCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000879030228 1137735871 /nfs/dbraw/zinc/73/58/71/1137735871.db2.gz HCLBFMCQMLWEJI-AWEZNQCLSA-N 1 2 338.879 3.724 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000879152330 1137739561 /nfs/dbraw/zinc/73/95/61/1137739561.db2.gz NOYPUJJPZKVCDZ-OLZOCXBDSA-N 1 2 331.382 3.661 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@H](C)c2cnc(C)s2)co1 ZINC000879251694 1137742515 /nfs/dbraw/zinc/74/25/15/1137742515.db2.gz AUGSIDVRBRKIEW-LLVKDONJSA-N 1 2 329.425 3.966 20 0 EHADLO Cc1ccc(Nc2nc(C[NH2+][C@H](C)c3ccnn3C)cs2)cc1 ZINC000879683616 1137755186 /nfs/dbraw/zinc/75/51/86/1137755186.db2.gz BKXXZYXBRKCBRD-CYBMUJFWSA-N 1 2 327.457 3.779 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@H](c3ccccc3OC)CC2)no1 ZINC000879728136 1137756806 /nfs/dbraw/zinc/75/68/06/1137756806.db2.gz OSDZMWJKLUQPDO-HNNXBMFYSA-N 1 2 329.444 3.800 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@H](c3ccccc3OC)CC2)no1 ZINC000879728136 1137756807 /nfs/dbraw/zinc/75/68/07/1137756807.db2.gz OSDZMWJKLUQPDO-HNNXBMFYSA-N 1 2 329.444 3.800 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000879746968 1137757553 /nfs/dbraw/zinc/75/75/53/1137757553.db2.gz IVMTZDOFUPSUER-HXUWFJFHSA-N 1 2 332.451 3.972 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000879746968 1137757554 /nfs/dbraw/zinc/75/75/54/1137757554.db2.gz IVMTZDOFUPSUER-HXUWFJFHSA-N 1 2 332.451 3.972 20 0 EHADLO O=C(CC[C@H]1CCc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000879814507 1137759492 /nfs/dbraw/zinc/75/94/92/1137759492.db2.gz JDNJYIMUYQNNAS-IEBWSBKVSA-N 1 2 336.435 3.572 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000880034246 1137766209 /nfs/dbraw/zinc/76/62/09/1137766209.db2.gz ROZRIUXPGAZYQM-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000880034246 1137766210 /nfs/dbraw/zinc/76/62/10/1137766210.db2.gz ROZRIUXPGAZYQM-UHFFFAOYSA-N 1 2 349.356 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(C(F)(F)F)nc1 ZINC000880101740 1137768268 /nfs/dbraw/zinc/76/82/68/1137768268.db2.gz PCGHDZDJPYJUCJ-JTQLQIEISA-N 1 2 325.334 3.818 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1F ZINC000880109067 1137768381 /nfs/dbraw/zinc/76/83/81/1137768381.db2.gz PAJMJLBQMLRJKR-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000880288108 1137773496 /nfs/dbraw/zinc/77/34/96/1137773496.db2.gz PHDSFTPNQXFXKL-ZDUSSCGKSA-N 1 2 333.382 3.993 20 0 EHADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000880288108 1137773497 /nfs/dbraw/zinc/77/34/97/1137773497.db2.gz PHDSFTPNQXFXKL-ZDUSSCGKSA-N 1 2 333.382 3.993 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000880296155 1137773825 /nfs/dbraw/zinc/77/38/25/1137773825.db2.gz VXHINGPABCIHTJ-VIFPVBQESA-N 1 2 338.732 3.589 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000880296155 1137773826 /nfs/dbraw/zinc/77/38/26/1137773826.db2.gz VXHINGPABCIHTJ-VIFPVBQESA-N 1 2 338.732 3.589 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880319295 1137774924 /nfs/dbraw/zinc/77/49/24/1137774924.db2.gz VJRAWJOCNRMSCO-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880319295 1137774925 /nfs/dbraw/zinc/77/49/25/1137774925.db2.gz VJRAWJOCNRMSCO-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)n1 ZINC000880371197 1137776872 /nfs/dbraw/zinc/77/68/72/1137776872.db2.gz CLELLTJPEQMIKS-GOSISDBHSA-N 1 2 330.453 3.831 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@]2(C)c2ccccc2)n1 ZINC000880371197 1137776873 /nfs/dbraw/zinc/77/68/73/1137776873.db2.gz CLELLTJPEQMIKS-GOSISDBHSA-N 1 2 330.453 3.831 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4ccsc4[C@H]3C)o2)cc1 ZINC000880377695 1137777125 /nfs/dbraw/zinc/77/71/25/1137777125.db2.gz CGQJHJATJQSFBO-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4ccsc4[C@H]3C)o2)cc1 ZINC000880377695 1137777126 /nfs/dbraw/zinc/77/71/26/1137777126.db2.gz CGQJHJATJQSFBO-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO COCc1nc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)cs1 ZINC000880387695 1137777629 /nfs/dbraw/zinc/77/76/29/1137777629.db2.gz LVKRWNHLDOMRPL-MRXNPFEDSA-N 1 2 334.510 3.970 20 0 EHADLO COCc1nc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)cs1 ZINC000880387695 1137777630 /nfs/dbraw/zinc/77/76/30/1137777630.db2.gz LVKRWNHLDOMRPL-MRXNPFEDSA-N 1 2 334.510 3.970 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000880685396 1137784429 /nfs/dbraw/zinc/78/44/29/1137784429.db2.gz DMWARCAOKYQXLP-SNVBAGLBSA-N 1 2 338.333 3.898 20 0 EHADLO CC(F)(F)c1c(F)cccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000880738570 1137787670 /nfs/dbraw/zinc/78/76/70/1137787670.db2.gz MJGIBVVHYVUSMI-UHFFFAOYSA-N 1 2 340.349 3.736 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137162763 1137799413 /nfs/dbraw/zinc/79/94/13/1137799413.db2.gz HFLYRSMYSRMTEV-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137162763 1137799414 /nfs/dbraw/zinc/79/94/14/1137799414.db2.gz HFLYRSMYSRMTEV-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1 ZINC001137162866 1137799760 /nfs/dbraw/zinc/79/97/60/1137799760.db2.gz MQMACOOMBRIONO-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000129297618 1137816920 /nfs/dbraw/zinc/81/69/20/1137816920.db2.gz JJDOFHPSUOAJSQ-BAABZTOOSA-N 1 2 332.494 3.728 20 0 EHADLO COc1cc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000129340919 1137817648 /nfs/dbraw/zinc/81/76/48/1137817648.db2.gz VCPCQIAVDFHGGA-UHFFFAOYSA-N 1 2 327.359 3.641 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3cccc(F)c3Br)nc2c1 ZINC001649165975 1137831409 /nfs/dbraw/zinc/83/14/09/1137831409.db2.gz BAAFRFVEVLMOLF-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO c1cn(-c2ccccc2)nc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000130011334 1137833386 /nfs/dbraw/zinc/83/33/86/1137833386.db2.gz KMXJWSDCHJRROK-UHFFFAOYSA-N 1 2 333.435 3.916 20 0 EHADLO O=C(C[C@H]1CCC(F)(F)C1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871410 1137836139 /nfs/dbraw/zinc/83/61/39/1137836139.db2.gz GWMJSQDGYZXSJN-GDBMZVCRSA-N 1 2 333.382 3.566 20 0 EHADLO O=C(Cc1cccc(C2CC2)c1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871725 1137836174 /nfs/dbraw/zinc/83/61/74/1137836174.db2.gz NCMZUEYQKMTKAW-NRFANRHFSA-N 1 2 345.446 3.861 20 0 EHADLO CC(C)c1ncc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000882872931 1137836344 /nfs/dbraw/zinc/83/63/44/1137836344.db2.gz OPLRNVSCPGOULO-OAHLLOKOSA-N 1 2 340.452 3.634 20 0 EHADLO CC(C)(C)CCN(CCc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000882886422 1137836948 /nfs/dbraw/zinc/83/69/48/1137836948.db2.gz SRZDCWMFEHMIGM-UHFFFAOYSA-N 1 2 327.472 3.850 20 0 EHADLO CC(C)(C)CCN(CCc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000882886422 1137836949 /nfs/dbraw/zinc/83/69/49/1137836949.db2.gz SRZDCWMFEHMIGM-UHFFFAOYSA-N 1 2 327.472 3.850 20 0 EHADLO Cn1nc2c(c1C[NH2+]Cc1c(Cl)cccc1Cl)CSCC2 ZINC000882942560 1137839145 /nfs/dbraw/zinc/83/91/45/1137839145.db2.gz HIJUFQYKSGFLBB-UHFFFAOYSA-N 1 2 342.295 3.806 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCCC2)cs1 ZINC000626158531 1137845071 /nfs/dbraw/zinc/84/50/71/1137845071.db2.gz UMBPOXMDRQMTGD-INIZCTEOSA-N 1 2 335.517 3.681 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCCC2)cs1 ZINC000626158531 1137845072 /nfs/dbraw/zinc/84/50/72/1137845072.db2.gz UMBPOXMDRQMTGD-INIZCTEOSA-N 1 2 335.517 3.681 20 0 EHADLO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1(c3ncccn3)CCC1)CCC2 ZINC000883312298 1137854151 /nfs/dbraw/zinc/85/41/51/1137854151.db2.gz ZKRHPKQTMOVMAN-HNNXBMFYSA-N 1 2 348.372 3.937 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]C1(c3ncccn3)CCC1)CCS2 ZINC000883312030 1137854203 /nfs/dbraw/zinc/85/42/03/1137854203.db2.gz RHWFXFIWBOZOHG-HNNXBMFYSA-N 1 2 327.453 3.691 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)n1cc[nH+]c1 ZINC001137188133 1137857675 /nfs/dbraw/zinc/85/76/75/1137857675.db2.gz QKXGRTYPJTVDMH-BHIYHBOVSA-N 1 2 325.456 3.875 20 0 EHADLO OCCCCOc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883381283 1137858188 /nfs/dbraw/zinc/85/81/88/1137858188.db2.gz KHLCGLWLZHBTIR-FPOVZHCZSA-N 1 2 343.442 3.953 20 0 EHADLO C[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000883387606 1137859059 /nfs/dbraw/zinc/85/90/59/1137859059.db2.gz AGUPWDHDAYNXDJ-OXJNMPFZSA-N 1 2 335.455 3.508 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132710977 1137868587 /nfs/dbraw/zinc/86/85/87/1137868587.db2.gz ITKXRCNGPPENKC-SMDDNHRTSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132710977 1137868588 /nfs/dbraw/zinc/86/85/88/1137868588.db2.gz ITKXRCNGPPENKC-SMDDNHRTSA-N 1 2 336.432 3.640 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]1C1CCC1 ZINC000102902598 1137874388 /nfs/dbraw/zinc/87/43/88/1137874388.db2.gz XNJHKOZUMDWYAN-SFHVURJKSA-N 1 2 342.487 3.546 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000103474631 1137876571 /nfs/dbraw/zinc/87/65/71/1137876571.db2.gz XTIBVFQOWLNGMG-JKSUJKDBSA-N 1 2 342.487 3.783 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000103474631 1137876572 /nfs/dbraw/zinc/87/65/72/1137876572.db2.gz XTIBVFQOWLNGMG-JKSUJKDBSA-N 1 2 342.487 3.783 20 0 EHADLO Cc1ccc2c(Nc3ccc(C[C@H]4COC(=O)N4)cc3)cccc2[nH+]1 ZINC001212797680 1137882583 /nfs/dbraw/zinc/88/25/83/1137882583.db2.gz DFGYLYBQVDXOHR-INIZCTEOSA-N 1 2 333.391 3.938 20 0 EHADLO Fc1cnc(Cl)c(C[NH2+]Cc2cscc2Br)c1 ZINC001202604047 1137882756 /nfs/dbraw/zinc/88/27/56/1137882756.db2.gz VEODSEHXDKDQML-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO C[N@H+](Cn1ncn(-c2ccccc2)c1=S)[C@@H]1CCc2ccccc21 ZINC000029301277 1137884014 /nfs/dbraw/zinc/88/40/14/1137884014.db2.gz AZNFKRQQCOODPK-GOSISDBHSA-N 1 2 336.464 3.980 20 0 EHADLO C[N@@H+](Cn1ncn(-c2ccccc2)c1=S)[C@@H]1CCc2ccccc21 ZINC000029301277 1137884015 /nfs/dbraw/zinc/88/40/15/1137884015.db2.gz AZNFKRQQCOODPK-GOSISDBHSA-N 1 2 336.464 3.980 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCC2=CCCCC2)s1 ZINC000106876836 1137884757 /nfs/dbraw/zinc/88/47/57/1137884757.db2.gz OIRRKXSABXFJJY-CQSZACIVSA-N 1 2 335.517 3.759 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCC2=CCCCC2)s1 ZINC000106876836 1137884758 /nfs/dbraw/zinc/88/47/58/1137884758.db2.gz OIRRKXSABXFJJY-CQSZACIVSA-N 1 2 335.517 3.759 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(F)ccc1F ZINC000107178507 1137885701 /nfs/dbraw/zinc/88/57/01/1137885701.db2.gz PSQNPEDSSIIYDW-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO CCOCC[N@H+](CC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000107677975 1137887707 /nfs/dbraw/zinc/88/77/07/1137887707.db2.gz HHNZTMSNHMGKOC-UHFFFAOYSA-N 1 2 338.448 3.720 20 0 EHADLO CCOCC[N@@H+](CC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000107677975 1137887708 /nfs/dbraw/zinc/88/77/08/1137887708.db2.gz HHNZTMSNHMGKOC-UHFFFAOYSA-N 1 2 338.448 3.720 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000348268724 1137890150 /nfs/dbraw/zinc/89/01/50/1137890150.db2.gz SWLIHJMSOUOUNS-CQSZACIVSA-N 1 2 343.496 3.886 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCSC2(CCCCC2)C1 ZINC000348268724 1137890151 /nfs/dbraw/zinc/89/01/51/1137890151.db2.gz SWLIHJMSOUOUNS-CQSZACIVSA-N 1 2 343.496 3.886 20 0 EHADLO COc1cccc(CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC000509516549 1137893732 /nfs/dbraw/zinc/89/37/32/1137893732.db2.gz MJQVBRJPPHRDDE-UHFFFAOYSA-N 1 2 339.370 3.796 20 0 EHADLO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000348289672 1137903276 /nfs/dbraw/zinc/90/32/76/1137903276.db2.gz KZZJGXWTIRVYEB-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000112218101 1137906679 /nfs/dbraw/zinc/90/66/79/1137906679.db2.gz HOAVHJUJJVLSKH-IBGZPJMESA-N 1 2 340.471 3.935 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)c(Br)cc1O ZINC000113314181 1137912614 /nfs/dbraw/zinc/91/26/14/1137912614.db2.gz DRWFXBHDQPZWFY-JTQLQIEISA-N 1 2 340.217 3.916 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000113930457 1137915533 /nfs/dbraw/zinc/91/55/33/1137915533.db2.gz LARVKLWQVMHQGE-UHFFFAOYSA-N 1 2 343.427 3.523 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000331647223 1137915968 /nfs/dbraw/zinc/91/59/68/1137915968.db2.gz KIXVUPZFKIKYTK-HNNXBMFYSA-N 1 2 344.463 3.556 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000114712978 1137918443 /nfs/dbraw/zinc/91/84/43/1137918443.db2.gz QHRKEVKIKJWZMO-AWEZNQCLSA-N 1 2 341.484 3.869 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000114712978 1137918444 /nfs/dbraw/zinc/91/84/44/1137918444.db2.gz QHRKEVKIKJWZMO-AWEZNQCLSA-N 1 2 341.484 3.869 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000331827040 1137922028 /nfs/dbraw/zinc/92/20/28/1137922028.db2.gz QKENDNICGZEDQC-UHFFFAOYSA-N 1 2 346.500 3.554 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880504 1137924273 /nfs/dbraw/zinc/92/42/73/1137924273.db2.gz UZUFCQRICGQBSY-PSASIEDQSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880504 1137924274 /nfs/dbraw/zinc/92/42/74/1137924274.db2.gz UZUFCQRICGQBSY-PSASIEDQSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C(C)C)s1 ZINC000332139626 1137933110 /nfs/dbraw/zinc/93/31/10/1137933110.db2.gz LXNSLKDHZDAYKF-UHFFFAOYSA-N 1 2 345.468 3.664 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)C(C)C ZINC000118840084 1137935832 /nfs/dbraw/zinc/93/58/32/1137935832.db2.gz OOYVCOHMFKCIRU-HNNXBMFYSA-N 1 2 328.441 3.988 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000332303549 1137939017 /nfs/dbraw/zinc/93/90/17/1137939017.db2.gz IFLIGIINYNJJTD-HZPDHXFCSA-N 1 2 333.407 3.857 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000332303549 1137939018 /nfs/dbraw/zinc/93/90/18/1137939018.db2.gz IFLIGIINYNJJTD-HZPDHXFCSA-N 1 2 333.407 3.857 20 0 EHADLO Cc1c(F)c(F)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000332414861 1137943276 /nfs/dbraw/zinc/94/32/76/1137943276.db2.gz LRBAZRNNWWKZNS-IAQYHMDHSA-N 1 2 334.370 3.585 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000332585687 1137947882 /nfs/dbraw/zinc/94/78/82/1137947882.db2.gz JVBHVDITHRWAGC-CLCXKQKWSA-N 1 2 343.471 3.549 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+]Cc1nc(C(C)C)cs1 ZINC000120619583 1137951327 /nfs/dbraw/zinc/95/13/27/1137951327.db2.gz ABXIHCLDOCECPR-UHFFFAOYSA-N 1 2 336.457 3.548 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000348324306 1137955623 /nfs/dbraw/zinc/95/56/23/1137955623.db2.gz PMSHQCOCRUFSID-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000348324306 1137955624 /nfs/dbraw/zinc/95/56/24/1137955624.db2.gz PMSHQCOCRUFSID-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333181556 1137957408 /nfs/dbraw/zinc/95/74/08/1137957408.db2.gz SANUOFOZZMDRBI-UHFFFAOYSA-N 1 2 344.484 3.934 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333181556 1137957409 /nfs/dbraw/zinc/95/74/09/1137957409.db2.gz SANUOFOZZMDRBI-UHFFFAOYSA-N 1 2 344.484 3.934 20 0 EHADLO CCC[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000134754379 1137960775 /nfs/dbraw/zinc/96/07/75/1137960775.db2.gz JGVXSRGOCYKHND-HXUWFJFHSA-N 1 2 345.531 3.910 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000348327489 1137963759 /nfs/dbraw/zinc/96/37/59/1137963759.db2.gz JEJCMFJZFVRUSC-UHFFFAOYSA-N 1 2 334.510 3.560 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000348327489 1137963760 /nfs/dbraw/zinc/96/37/60/1137963760.db2.gz JEJCMFJZFVRUSC-UHFFFAOYSA-N 1 2 334.510 3.560 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](c3ncccn3)C2)nc(C(C)C)[nH+]1 ZINC000884711067 1137970292 /nfs/dbraw/zinc/97/02/92/1137970292.db2.gz CIBWQDWJJRMTRB-HNNXBMFYSA-N 1 2 325.460 3.897 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3C(=O)OC(C)(C)C)ccc2c1 ZINC001137216049 1137981438 /nfs/dbraw/zinc/98/14/38/1137981438.db2.gz WILKWMIDDXPFMO-SFHVURJKSA-N 1 2 326.440 3.849 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCC[C@H]3C(=O)OC(C)(C)C)ccc2c1 ZINC001137216049 1137981440 /nfs/dbraw/zinc/98/14/40/1137981440.db2.gz WILKWMIDDXPFMO-SFHVURJKSA-N 1 2 326.440 3.849 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222522 1137989092 /nfs/dbraw/zinc/98/90/92/1137989092.db2.gz FEZZEPVJRREKQP-TZIWHRDSSA-N 1 2 349.478 3.511 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1(C(F)F)CCCC1 ZINC000890248363 1138023153 /nfs/dbraw/zinc/02/31/53/1138023153.db2.gz NNDDGVNBUJQBBT-OAHLLOKOSA-N 1 2 348.397 3.502 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2nsc3ccccc23)c1OC ZINC000886190467 1138057580 /nfs/dbraw/zinc/05/75/80/1138057580.db2.gz RNXDJHIFSUDQMV-UHFFFAOYSA-N 1 2 328.437 3.912 20 0 EHADLO Cc1c[nH]nc1C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000886275576 1138063215 /nfs/dbraw/zinc/06/32/15/1138063215.db2.gz FJYPSFZWQQOKEL-UHFFFAOYSA-N 1 2 348.166 3.789 20 0 EHADLO Cc1cn[nH]c1C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000886275576 1138063214 /nfs/dbraw/zinc/06/32/14/1138063214.db2.gz FJYPSFZWQQOKEL-UHFFFAOYSA-N 1 2 348.166 3.789 20 0 EHADLO CCc1ccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000886305799 1138066170 /nfs/dbraw/zinc/06/61/70/1138066170.db2.gz QRXHGXWOLFNPMN-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1C ZINC000886305630 1138066399 /nfs/dbraw/zinc/06/63/99/1138066399.db2.gz MTOSJYPETMBOEX-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc([C@H]4CCCC(=O)N4)c3)n2c1 ZINC000886373214 1138071939 /nfs/dbraw/zinc/07/19/39/1138071939.db2.gz NQGFKJBLWZVYIN-GOSISDBHSA-N 1 2 334.423 3.596 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC[C@H](C)c2ccccc2)c1C ZINC000138519547 1138103555 /nfs/dbraw/zinc/10/35/55/1138103555.db2.gz XIPRGDMJYDTQRQ-AWEZNQCLSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)[nH]c1C ZINC000886670572 1138112057 /nfs/dbraw/zinc/11/20/57/1138112057.db2.gz RMUWKYPUAJDWSV-UHFFFAOYSA-N 1 2 347.846 3.788 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886723916 1138125805 /nfs/dbraw/zinc/12/58/05/1138125805.db2.gz QDDOXDCRVIJMSK-UHFFFAOYSA-N 1 2 348.468 3.875 20 0 EHADLO c1cc(C[N@@H+](Cc2noc(C3CC3)n2)C2CCCC2)cc2c1OCC2 ZINC000076342944 1138130793 /nfs/dbraw/zinc/13/07/93/1138130793.db2.gz SFJNDIWEMDSWDG-UHFFFAOYSA-N 1 2 339.439 3.827 20 0 EHADLO c1cc(C[N@H+](Cc2noc(C3CC3)n2)C2CCCC2)cc2c1OCC2 ZINC000076342944 1138130794 /nfs/dbraw/zinc/13/07/94/1138130794.db2.gz SFJNDIWEMDSWDG-UHFFFAOYSA-N 1 2 339.439 3.827 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000886811492 1138147309 /nfs/dbraw/zinc/14/73/09/1138147309.db2.gz VASSWGRUIVJZCF-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000886811492 1138147311 /nfs/dbraw/zinc/14/73/11/1138147311.db2.gz VASSWGRUIVJZCF-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(CC)CC1 ZINC000078359336 1138149004 /nfs/dbraw/zinc/14/90/04/1138149004.db2.gz KPEHJSYDWQDQEE-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccco1 ZINC000080239018 1138161724 /nfs/dbraw/zinc/16/17/24/1138161724.db2.gz GKOAVOSRSXTUHS-ZDUSSCGKSA-N 1 2 328.181 3.659 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(C)c1 ZINC000080909763 1138164721 /nfs/dbraw/zinc/16/47/21/1138164721.db2.gz QIIFVWKLRLETKO-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(C)c1 ZINC000080909763 1138164723 /nfs/dbraw/zinc/16/47/23/1138164723.db2.gz QIIFVWKLRLETKO-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080908922 1138164753 /nfs/dbraw/zinc/16/47/53/1138164753.db2.gz ZEMILLRYBVVKBR-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080908922 1138164755 /nfs/dbraw/zinc/16/47/55/1138164755.db2.gz ZEMILLRYBVVKBR-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cnccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001137231849 1138180260 /nfs/dbraw/zinc/18/02/60/1138180260.db2.gz VJIMKSDLKWLUOW-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cnccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001137231849 1138180261 /nfs/dbraw/zinc/18/02/61/1138180261.db2.gz VJIMKSDLKWLUOW-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)no1 ZINC000088603916 1138195048 /nfs/dbraw/zinc/19/50/48/1138195048.db2.gz PBAXQHIASLDWMT-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)no1 ZINC000088603916 1138195049 /nfs/dbraw/zinc/19/50/49/1138195049.db2.gz PBAXQHIASLDWMT-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO O=C1Nc2ccccc2S[C@H]1CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102453 1138211684 /nfs/dbraw/zinc/21/16/84/1138211684.db2.gz QFRBNEFBEXSSCP-AWEZNQCLSA-N 1 2 326.412 3.609 20 0 EHADLO O=C1Nc2ccccc2S[C@H]1CC[N@H+](CC(F)F)C1CCC1 ZINC000887102453 1138211685 /nfs/dbraw/zinc/21/16/85/1138211685.db2.gz QFRBNEFBEXSSCP-AWEZNQCLSA-N 1 2 326.412 3.609 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090560929 1138212066 /nfs/dbraw/zinc/21/20/66/1138212066.db2.gz NWPJPXHPDJXYSU-ZDUSSCGKSA-N 1 2 348.830 3.895 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090560929 1138212067 /nfs/dbraw/zinc/21/20/67/1138212067.db2.gz NWPJPXHPDJXYSU-ZDUSSCGKSA-N 1 2 348.830 3.895 20 0 EHADLO CCCCCOc1ccc([C@@H]([NH2+]Cc2ncn(C)n2)C2CC2)cc1 ZINC000091409986 1138219434 /nfs/dbraw/zinc/21/94/34/1138219434.db2.gz PWYDJIJAAZNXRC-IBGZPJMESA-N 1 2 328.460 3.625 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703540 1138220503 /nfs/dbraw/zinc/22/05/03/1138220503.db2.gz XGUCRNZTYPDOFF-GJZGRUSLSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703540 1138220505 /nfs/dbraw/zinc/22/05/05/1138220505.db2.gz XGUCRNZTYPDOFF-GJZGRUSLSA-N 1 2 345.874 3.947 20 0 EHADLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1OCc1cccs1 ZINC000091814998 1138221871 /nfs/dbraw/zinc/22/18/71/1138221871.db2.gz MMVOCOOBZVTDQJ-CQSZACIVSA-N 1 2 333.453 3.556 20 0 EHADLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1OCc1cccs1 ZINC000091814998 1138221873 /nfs/dbraw/zinc/22/18/73/1138221873.db2.gz MMVOCOOBZVTDQJ-CQSZACIVSA-N 1 2 333.453 3.556 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@H](c3cccs3)C2)s1 ZINC000092593365 1138229855 /nfs/dbraw/zinc/22/98/55/1138229855.db2.gz DNZUHSLJROFTDS-AWEZNQCLSA-N 1 2 337.514 3.624 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@H](c3cccs3)C2)s1 ZINC000092593365 1138229857 /nfs/dbraw/zinc/22/98/57/1138229857.db2.gz DNZUHSLJROFTDS-AWEZNQCLSA-N 1 2 337.514 3.624 20 0 EHADLO COc1ccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000092919338 1138232983 /nfs/dbraw/zinc/23/29/83/1138232983.db2.gz DTKFZCIXEPOLGJ-UHFFFAOYSA-N 1 2 337.301 3.538 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000093079719 1138233855 /nfs/dbraw/zinc/23/38/55/1138233855.db2.gz HGPKRAJZTRBIPG-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000093079719 1138233857 /nfs/dbraw/zinc/23/38/57/1138233857.db2.gz HGPKRAJZTRBIPG-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO C[C@H]1CCC[C@@]1(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000826543290 1138236645 /nfs/dbraw/zinc/23/66/45/1138236645.db2.gz NLWVTEAZVNUXHP-HRAATJIYSA-N 1 2 343.515 3.664 20 0 EHADLO C[C@H]1CCN(C(=O)CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000122777050 1138261749 /nfs/dbraw/zinc/26/17/49/1138261749.db2.gz SEIMYCHDGZTLMR-HOCLYGCPSA-N 1 2 347.459 3.614 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)oc2cc1C ZINC000122964644 1138264866 /nfs/dbraw/zinc/26/48/66/1138264866.db2.gz CROYWXBHYMDFTB-CXAGYDPISA-N 1 2 337.423 3.969 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000123208836 1138267289 /nfs/dbraw/zinc/26/72/89/1138267289.db2.gz WHFBPJIQFQIAMM-HDMKZQKVSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123572705 1138271604 /nfs/dbraw/zinc/27/16/04/1138271604.db2.gz CUFXUGUVYGTPJJ-FUHWJXTLSA-N 1 2 325.456 3.661 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000124365827 1138285096 /nfs/dbraw/zinc/28/50/96/1138285096.db2.gz RPJUHCXLFSWGQT-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO c1cc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)n[nH]1 ZINC000333531428 1138301141 /nfs/dbraw/zinc/30/11/41/1138301141.db2.gz JDDTVLOKCUGNGU-KRWDZBQOSA-N 1 2 327.428 3.688 20 0 EHADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)n[nH]1 ZINC000333531428 1138301145 /nfs/dbraw/zinc/30/11/45/1138301145.db2.gz JDDTVLOKCUGNGU-KRWDZBQOSA-N 1 2 327.428 3.688 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125610922 1138312822 /nfs/dbraw/zinc/31/28/22/1138312822.db2.gz UAFCXBWRKBELAS-VQIMIIECSA-N 1 2 341.455 3.785 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000125818887 1138317106 /nfs/dbraw/zinc/31/71/06/1138317106.db2.gz ORYLRWLITJMIQB-LPHOPBHVSA-N 1 2 325.456 3.542 20 0 EHADLO Cc1ccc(C)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126205498 1138326511 /nfs/dbraw/zinc/32/65/11/1138326511.db2.gz XHMQHCPMQUOLNT-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO O=C(COC1CCCC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333753948 1138328937 /nfs/dbraw/zinc/32/89/37/1138328937.db2.gz OAOGKOMDMUOYQH-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127129770 1138347587 /nfs/dbraw/zinc/34/75/87/1138347587.db2.gz RTJPLOFAKVOEKM-MLGOLLRUSA-N 1 2 332.835 3.960 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000128353328 1138387527 /nfs/dbraw/zinc/38/75/27/1138387527.db2.gz DTMCCTBAOBJOLX-WFASDCNBSA-N 1 2 341.440 3.608 20 0 EHADLO Cc1sc(Cn2cc[nH+]c2)nc1-c1cn(CC2CCCCC2)nn1 ZINC000887531186 1138399117 /nfs/dbraw/zinc/39/91/17/1138399117.db2.gz DYHNMEXRRGURRB-UHFFFAOYSA-N 1 2 342.472 3.535 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129581694 1138414852 /nfs/dbraw/zinc/41/48/52/1138414852.db2.gz PONAEEPCVWXCOC-WFASDCNBSA-N 1 2 334.370 3.936 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336931949 1138429849 /nfs/dbraw/zinc/42/98/49/1138429849.db2.gz CBJFKKZZKFYLHG-WBVHZDCISA-N 1 2 344.434 3.779 20 0 EHADLO CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@@H](C)C(C)C ZINC000264213639 1138444875 /nfs/dbraw/zinc/44/48/75/1138444875.db2.gz HTOIFLHWALTCSF-IRXDYDNUSA-N 1 2 347.503 3.978 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000264216361 1138445660 /nfs/dbraw/zinc/44/56/60/1138445660.db2.gz XCJJPKBDGAAIFI-AWEZNQCLSA-N 1 2 347.846 3.511 20 0 EHADLO CCC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264249174 1138454249 /nfs/dbraw/zinc/45/42/49/1138454249.db2.gz OWDMGLJSBWRVPX-MRXNPFEDSA-N 1 2 345.487 3.734 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337129541 1138473923 /nfs/dbraw/zinc/47/39/23/1138473923.db2.gz IXQOCUCUCYEXSA-BRWVUGGUSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337133217 1138474694 /nfs/dbraw/zinc/47/46/94/1138474694.db2.gz CDADUKVKPMDJTB-HZPDHXFCSA-N 1 2 331.504 3.998 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccccc2c1 ZINC000337141878 1138477885 /nfs/dbraw/zinc/47/78/85/1138477885.db2.gz WFFLCJZTDCUHQO-UHFFFAOYSA-N 1 2 349.434 3.704 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccccc2c1 ZINC000337141878 1138477886 /nfs/dbraw/zinc/47/78/86/1138477886.db2.gz WFFLCJZTDCUHQO-UHFFFAOYSA-N 1 2 349.434 3.704 20 0 EHADLO O=C([C@H]1CC12CCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337164112 1138483169 /nfs/dbraw/zinc/48/31/69/1138483169.db2.gz WPSICYVBYCNKGK-NVXWUHKLSA-N 1 2 327.472 3.506 20 0 EHADLO O=C(CCCC(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337165521 1138483447 /nfs/dbraw/zinc/48/34/47/1138483447.db2.gz XRPUKCVNZQVVFL-ZDUSSCGKSA-N 1 2 343.393 3.658 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cnc2cnccc2c1 ZINC000337195350 1138492111 /nfs/dbraw/zinc/49/21/11/1138492111.db2.gz ZFDSOXRONOFTEG-UHFFFAOYSA-N 1 2 329.363 3.581 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000131256649 1138505136 /nfs/dbraw/zinc/50/51/36/1138505136.db2.gz DAROLAWANANPJS-SWLSCSKDSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccc(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000337250606 1138508780 /nfs/dbraw/zinc/50/87/80/1138508780.db2.gz NALCACAOHGUEIE-UHFFFAOYSA-N 1 2 330.815 3.531 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1occc1-c1ccc(F)cc1 ZINC000337369441 1138547160 /nfs/dbraw/zinc/54/71/60/1138547160.db2.gz OJUQTHGXAUITJQ-UHFFFAOYSA-N 1 2 339.370 3.549 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264547845 1138555096 /nfs/dbraw/zinc/55/50/96/1138555096.db2.gz VULBORIMVOYCEH-HNNXBMFYSA-N 1 2 331.485 3.980 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000337435381 1138568501 /nfs/dbraw/zinc/56/85/01/1138568501.db2.gz CIKQMTKEUJVDCT-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000337435381 1138568504 /nfs/dbraw/zinc/56/85/04/1138568504.db2.gz CIKQMTKEUJVDCT-HXUWFJFHSA-N 1 2 338.426 3.512 20 0 EHADLO O=c1ccccn1C[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000337469615 1138578182 /nfs/dbraw/zinc/57/81/82/1138578182.db2.gz VNFIZLLTPXXVPX-SFHVURJKSA-N 1 2 345.402 3.521 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444540 1138581263 /nfs/dbraw/zinc/58/12/63/1138581263.db2.gz FQPBDNGCUURCEA-GJZGRUSLSA-N 1 2 337.423 3.526 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1cc2ccccc2o1 ZINC000132444540 1138581266 /nfs/dbraw/zinc/58/12/66/1138581266.db2.gz FQPBDNGCUURCEA-GJZGRUSLSA-N 1 2 337.423 3.526 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(F)c(F)c1 ZINC000337500470 1138588069 /nfs/dbraw/zinc/58/80/69/1138588069.db2.gz CGANCTPQLHJQMN-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC000337538010 1138598812 /nfs/dbraw/zinc/59/88/12/1138598812.db2.gz OHZUMMUBQFVZFN-UHFFFAOYSA-N 1 2 349.438 3.960 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000337556877 1138604884 /nfs/dbraw/zinc/60/48/84/1138604884.db2.gz KIZNBFUZKBNKFR-LJQANCHMSA-N 1 2 347.418 3.580 20 0 EHADLO CC(C)CC1CCC(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001274120565 1138611192 /nfs/dbraw/zinc/61/11/92/1138611192.db2.gz GIYVHDOHHVXMLX-UHFFFAOYSA-N 1 2 343.515 3.511 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000337584223 1138613275 /nfs/dbraw/zinc/61/32/75/1138613275.db2.gz DDIYYSXRKIDXKN-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO CCC1(CC)CN(C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000337631704 1138627594 /nfs/dbraw/zinc/62/75/94/1138627594.db2.gz YNKQLVKFGIRDAR-UHFFFAOYSA-N 1 2 326.444 3.561 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC2CCC2)[C@@H](C)C1 ZINC000337736698 1138655849 /nfs/dbraw/zinc/65/58/49/1138655849.db2.gz PYKYFFHRJVEJKP-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC2CCC2)[C@@H](C)C1 ZINC000337736698 1138655851 /nfs/dbraw/zinc/65/58/51/1138655851.db2.gz PYKYFFHRJVEJKP-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000133884939 1138661513 /nfs/dbraw/zinc/66/15/13/1138661513.db2.gz FSZJHLSAPMBXRM-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000133884939 1138661516 /nfs/dbraw/zinc/66/15/16/1138661516.db2.gz FSZJHLSAPMBXRM-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337917973 1138698441 /nfs/dbraw/zinc/69/84/41/1138698441.db2.gz UGSCRJXNODYUFM-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000338030281 1138728114 /nfs/dbraw/zinc/72/81/14/1138728114.db2.gz OIRFKDHCZKQXLD-KRWDZBQOSA-N 1 2 333.435 3.610 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265147577 1138745282 /nfs/dbraw/zinc/74/52/82/1138745282.db2.gz DPCRDAGOJOZECN-UTKZUKDTSA-N 1 2 345.446 3.950 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265281839 1138794461 /nfs/dbraw/zinc/79/44/61/1138794461.db2.gz RQZYRZZZFHLVJT-MAUKXSAKSA-N 1 2 325.456 3.946 20 0 EHADLO COc1ccc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nc1 ZINC000338254974 1138802499 /nfs/dbraw/zinc/80/24/99/1138802499.db2.gz ZUKPIHDRCFTPHQ-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000265359842 1138830592 /nfs/dbraw/zinc/83/05/92/1138830592.db2.gz LVPIOFXRQIJSIL-CGTJXYLNSA-N 1 2 325.456 3.946 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000338323668 1138834942 /nfs/dbraw/zinc/83/49/42/1138834942.db2.gz WMCJCDXQLFZDGP-KEYYUXOJSA-N 1 2 344.434 3.635 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000338354986 1138850836 /nfs/dbraw/zinc/85/08/36/1138850836.db2.gz GNERTDZYXPKSRV-IRXDYDNUSA-N 1 2 340.471 3.557 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000338385032 1138878331 /nfs/dbraw/zinc/87/83/31/1138878331.db2.gz RKQSPNJUBGHLBI-CYBMUJFWSA-N 1 2 340.452 3.802 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000338385032 1138878344 /nfs/dbraw/zinc/87/83/44/1138878344.db2.gz RKQSPNJUBGHLBI-CYBMUJFWSA-N 1 2 340.452 3.802 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(C2CC2)on1 ZINC000338392190 1138884640 /nfs/dbraw/zinc/88/46/40/1138884640.db2.gz RWEQJAMBEMJYAS-UHFFFAOYSA-N 1 2 328.759 3.643 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000338443283 1138917054 /nfs/dbraw/zinc/91/70/54/1138917054.db2.gz JEVQQAREBWASPG-UHFFFAOYSA-N 1 2 344.422 3.682 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000338475606 1138932318 /nfs/dbraw/zinc/93/23/18/1138932318.db2.gz BDSMPWMXUZVLST-QGZVFWFLSA-N 1 2 333.863 3.526 20 0 EHADLO C[C@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887873900 1138965503 /nfs/dbraw/zinc/96/55/03/1138965503.db2.gz VNMVPPLXVIZUAA-KKXBDNRESA-N 1 2 347.462 3.602 20 0 EHADLO C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000151888772 1139062740 /nfs/dbraw/zinc/06/27/40/1139062740.db2.gz MVZNZFLOXCOYGV-IPELMVKDSA-N 1 2 338.455 3.627 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000151888690 1139063209 /nfs/dbraw/zinc/06/32/09/1139063209.db2.gz MVZNZFLOXCOYGV-LZQZEXGQSA-N 1 2 338.455 3.627 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000153792807 1139151710 /nfs/dbraw/zinc/15/17/10/1139151710.db2.gz HSVFNTYYKCYXAP-ZIFCJYIRSA-N 1 2 340.471 3.588 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(c2cccnc2)CC2(CCC2)C1 ZINC000889225558 1139180432 /nfs/dbraw/zinc/18/04/32/1139180432.db2.gz XFZZOVHNECHNJW-UHFFFAOYSA-N 1 2 332.407 3.570 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N(CC1CC1)CC1CC1 ZINC000889542770 1139228469 /nfs/dbraw/zinc/22/84/69/1139228469.db2.gz FUXSKRDAHHLMKB-IYARVYRRSA-N 1 2 342.487 3.636 20 0 EHADLO CCN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000889547005 1139230240 /nfs/dbraw/zinc/23/02/40/1139230240.db2.gz BLSFUMRJDJXJBH-WKILWMFISA-N 1 2 330.476 3.779 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259199 1139333630 /nfs/dbraw/zinc/33/36/30/1139333630.db2.gz RTPWAQLYITXEJQ-APWZRJJASA-N 1 2 340.471 3.843 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890264770 1139335054 /nfs/dbraw/zinc/33/50/54/1139335054.db2.gz HTBHFTZLBNVALK-NZSAHSFTSA-N 1 2 340.471 3.845 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173655539 1139371067 /nfs/dbraw/zinc/37/10/67/1139371067.db2.gz QBQDCMBBHYNOKV-CXAGYDPISA-N 1 2 346.862 3.546 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173655539 1139371072 /nfs/dbraw/zinc/37/10/72/1139371072.db2.gz QBQDCMBBHYNOKV-CXAGYDPISA-N 1 2 346.862 3.546 20 0 EHADLO Cc1cc2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)oc2cc1C ZINC000173698244 1139373264 /nfs/dbraw/zinc/37/32/64/1139373264.db2.gz PDISYVKXBCQWKB-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO Cc1cc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)oc2cc1C ZINC000173698244 1139373272 /nfs/dbraw/zinc/37/32/72/1139373272.db2.gz PDISYVKXBCQWKB-UHFFFAOYSA-N 1 2 341.436 3.746 20 0 EHADLO CCCCn1c(SCc2ncc(C)o2)nnc1[C@@H](CC)[NH+](C)C ZINC000174112928 1139400167 /nfs/dbraw/zinc/40/01/67/1139400167.db2.gz ZMUJKFPVBQJGFT-CYBMUJFWSA-N 1 2 337.493 3.680 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnn(Cc3ccccc3)c2)o1 ZINC000174478853 1139423105 /nfs/dbraw/zinc/42/31/05/1139423105.db2.gz HMPPIOKYZKSKQO-IBGZPJMESA-N 1 2 339.439 3.564 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC1CCCC1 ZINC000174893707 1139449282 /nfs/dbraw/zinc/44/92/82/1139449282.db2.gz QQMOXMRQLLEJIV-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO O=C(CC[C@H]1CCOC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176730910 1139575343 /nfs/dbraw/zinc/57/53/43/1139575343.db2.gz IRAGJXJDIDGVMO-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(-c3ccccc3)no2)cc1O ZINC000177222229 1139604794 /nfs/dbraw/zinc/60/47/94/1139604794.db2.gz SEIQDFZEMABTLV-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(-c3ccccc3)no2)cc1O ZINC000177222229 1139604800 /nfs/dbraw/zinc/60/48/00/1139604800.db2.gz SEIQDFZEMABTLV-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000178385855 1139691100 /nfs/dbraw/zinc/69/11/00/1139691100.db2.gz KBMLUWKROQAUBR-CQSZACIVSA-N 1 2 342.468 3.891 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000178500098 1139699403 /nfs/dbraw/zinc/69/94/03/1139699403.db2.gz OYUYKAIJNANICJ-MRXNPFEDSA-N 1 2 332.492 3.650 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1 ZINC000179533395 1139763111 /nfs/dbraw/zinc/76/31/11/1139763111.db2.gz KYJZZBPGESCINM-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO CCCc1nc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cs1 ZINC000179547566 1139764175 /nfs/dbraw/zinc/76/41/75/1139764175.db2.gz USKRMGUCDQXXJU-QGZVFWFLSA-N 1 2 343.496 3.549 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(OC(F)F)cc1 ZINC000179612515 1139768795 /nfs/dbraw/zinc/76/87/95/1139768795.db2.gz GXNGRCAWYRNLKM-SNVBAGLBSA-N 1 2 325.359 3.819 20 0 EHADLO CCOCc1cc(C[N@H+](C)Cc2ncc(CC)s2)ccc1OC ZINC000180059852 1139805385 /nfs/dbraw/zinc/80/53/85/1139805385.db2.gz LVCNSCFJSAVWQD-UHFFFAOYSA-N 1 2 334.485 3.883 20 0 EHADLO CCOCc1cc(C[N@@H+](C)Cc2ncc(CC)s2)ccc1OC ZINC000180059852 1139805394 /nfs/dbraw/zinc/80/53/94/1139805394.db2.gz LVCNSCFJSAVWQD-UHFFFAOYSA-N 1 2 334.485 3.883 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)CC(C)(C)O)n1 ZINC000180201229 1139817558 /nfs/dbraw/zinc/81/75/58/1139817558.db2.gz XSMGGALGCGVGEW-CQSZACIVSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)n1 ZINC000180201229 1139817563 /nfs/dbraw/zinc/81/75/63/1139817563.db2.gz XSMGGALGCGVGEW-CQSZACIVSA-N 1 2 349.500 3.657 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000180251324 1139820530 /nfs/dbraw/zinc/82/05/30/1139820530.db2.gz MQAYGIUZGNJFQQ-QGZVFWFLSA-N 1 2 335.835 3.891 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2nc(N)c3ccccc3n2)c1C ZINC000180344846 1139828240 /nfs/dbraw/zinc/82/82/40/1139828240.db2.gz ZPDORAFUCKLBFR-UHFFFAOYSA-N 1 2 340.452 3.666 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180844167 1139867843 /nfs/dbraw/zinc/86/78/43/1139867843.db2.gz LWQDZESJCYHFAQ-ZYHUDNBSSA-N 1 2 341.274 3.944 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(C)no2)c(Br)c1 ZINC000181698993 1139925244 /nfs/dbraw/zinc/92/52/44/1139925244.db2.gz MLQWZBNTEQSPHK-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO COc1ccccc1CCC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000182356961 1139967605 /nfs/dbraw/zinc/96/76/05/1139967605.db2.gz AHJIFNRSHXYBMO-DEOSSOPVSA-N 1 2 342.464 3.533 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000183008737 1140007639 /nfs/dbraw/zinc/00/76/39/1140007639.db2.gz LLIMNEWQFRMLBJ-ZJUUUORDSA-N 1 2 329.322 3.647 20 0 EHADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000183729736 1140055570 /nfs/dbraw/zinc/05/55/70/1140055570.db2.gz WGBXCVWDBPWASB-CYBMUJFWSA-N 1 2 348.468 3.669 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000183920182 1140065130 /nfs/dbraw/zinc/06/51/30/1140065130.db2.gz NSRFKTSZQZCTCZ-LBPRGKRZSA-N 1 2 345.468 3.506 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccco1 ZINC000184201928 1140086756 /nfs/dbraw/zinc/08/67/56/1140086756.db2.gz UIHDTLBQOJDDLX-RDJZCZTQSA-N 1 2 330.428 3.610 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3ncnn3CC(C)C)c(C)c2c1 ZINC000184322262 1140095786 /nfs/dbraw/zinc/09/57/86/1140095786.db2.gz BVWFZKDPPLETTP-AWEZNQCLSA-N 1 2 342.443 3.848 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(SC)cc1)c1ccc(C)o1 ZINC000184747098 1140118728 /nfs/dbraw/zinc/11/87/28/1140118728.db2.gz ZYCGEHHFYXCFKS-BBRMVZONSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)=O)cs1 ZINC000184747885 1140118790 /nfs/dbraw/zinc/11/87/90/1140118790.db2.gz VMOYSTDWEZLHLK-NEPJUHHUSA-N 1 2 345.468 3.586 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1ncc(C)s1)[C@H](C)c1ccc(F)cc1 ZINC000184994146 1140130307 /nfs/dbraw/zinc/13/03/07/1140130307.db2.gz RYKUVMXIWNCJQK-UONOGXRCSA-N 1 2 349.475 3.851 20 0 EHADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000186577445 1140211419 /nfs/dbraw/zinc/21/14/19/1140211419.db2.gz WMLRZYITAKSOOT-HNNXBMFYSA-N 1 2 349.887 3.516 20 0 EHADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000186577445 1140211424 /nfs/dbraw/zinc/21/14/24/1140211424.db2.gz WMLRZYITAKSOOT-HNNXBMFYSA-N 1 2 349.887 3.516 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000186802737 1140222115 /nfs/dbraw/zinc/22/21/15/1140222115.db2.gz ZQNCIBMAIMAMQY-QAPCUYQASA-N 1 2 330.472 3.592 20 0 EHADLO Cc1ccc2cc(CN3CC[NH+]([C@@H](C)c4cccnc4)CC3)ccc2n1 ZINC000187298332 1140248945 /nfs/dbraw/zinc/24/89/45/1140248945.db2.gz DLPOYTBFLSRNBZ-SFHVURJKSA-N 1 2 346.478 3.817 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187804631 1140272864 /nfs/dbraw/zinc/27/28/64/1140272864.db2.gz QYWUNZVHYWXBQJ-WBAXXEDZSA-N 1 2 331.435 3.823 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000188417357 1140295658 /nfs/dbraw/zinc/29/56/58/1140295658.db2.gz DMOUMULERBMANY-UHFFFAOYSA-N 1 2 331.725 3.664 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000188438890 1140296285 /nfs/dbraw/zinc/29/62/85/1140296285.db2.gz FEMZWLJTHQMONS-SNVBAGLBSA-N 1 2 326.227 3.537 20 0 EHADLO O=C(CCCCCc1ccc(F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000188845992 1140310606 /nfs/dbraw/zinc/31/06/06/1140310606.db2.gz OONDMDZBOFXGCY-UHFFFAOYSA-N 1 2 343.446 3.989 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1nnnn1C1CCCCC1 ZINC000189737961 1140361609 /nfs/dbraw/zinc/36/16/09/1140361609.db2.gz KYHDLTRYZQHJRV-VXGBXAGGSA-N 1 2 335.402 3.868 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)cc1F ZINC000191779371 1140484359 /nfs/dbraw/zinc/48/43/59/1140484359.db2.gz LCNNWSNJUIGRAV-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1C ZINC000191783181 1140484970 /nfs/dbraw/zinc/48/49/70/1140484970.db2.gz IKYQJLQZQNESGN-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000191820912 1140486865 /nfs/dbraw/zinc/48/68/65/1140486865.db2.gz GJBQCVJMVDOKJK-AAEUAGOBSA-N 1 2 336.482 3.503 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000191820912 1140486868 /nfs/dbraw/zinc/48/68/68/1140486868.db2.gz GJBQCVJMVDOKJK-AAEUAGOBSA-N 1 2 336.482 3.503 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192143293 1140505870 /nfs/dbraw/zinc/50/58/70/1140505870.db2.gz WMWBCXPMRNWOFJ-COLVAYQJSA-N 1 2 337.370 3.652 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1SC ZINC000192247486 1140514448 /nfs/dbraw/zinc/51/44/48/1140514448.db2.gz CRBBVDZGTVTKHT-UHFFFAOYSA-N 1 2 331.485 3.720 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000192467415 1140534432 /nfs/dbraw/zinc/53/44/32/1140534432.db2.gz SDNWTDJFLQJFTJ-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2sccc2Cl)c(OC)c1 ZINC000193011866 1140559777 /nfs/dbraw/zinc/55/97/77/1140559777.db2.gz DMEMDOUVDJPMHH-UHFFFAOYSA-N 1 2 327.833 3.717 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2ncc(C)s2)c1OC(F)F ZINC000266155292 1140648704 /nfs/dbraw/zinc/64/87/04/1140648704.db2.gz LRURHOAMDBOVPG-UHFFFAOYSA-N 1 2 328.384 3.741 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000266932445 1140740176 /nfs/dbraw/zinc/74/01/76/1140740176.db2.gz NPKZOJHQKHPFPD-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO CCCCCCOc1ccc(CC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000267204929 1140768187 /nfs/dbraw/zinc/76/81/87/1140768187.db2.gz LXHSEZCXGMIUMC-UHFFFAOYSA-N 1 2 329.444 3.536 20 0 EHADLO CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCC1 ZINC000267396956 1140786378 /nfs/dbraw/zinc/78/63/78/1140786378.db2.gz NNPMEHVMLBHIRH-UHFFFAOYSA-N 1 2 342.443 3.759 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCCN(c3nccs3)CC2)n1 ZINC000267993931 1140864303 /nfs/dbraw/zinc/86/43/03/1140864303.db2.gz KMFQYNLKFHSWPW-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCCN(c3nccs3)CC2)n1 ZINC000267993931 1140864315 /nfs/dbraw/zinc/86/43/15/1140864315.db2.gz KMFQYNLKFHSWPW-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268146242 1140891883 /nfs/dbraw/zinc/89/18/83/1140891883.db2.gz QPXORZPABUFQGT-QGZVFWFLSA-N 1 2 340.448 3.803 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268146242 1140891897 /nfs/dbraw/zinc/89/18/97/1140891897.db2.gz QPXORZPABUFQGT-QGZVFWFLSA-N 1 2 340.448 3.803 20 0 EHADLO Fc1nc(F)c(F)c(NCc2cc[nH+]c(N3CCCCC3)c2)c1F ZINC000268169806 1140896591 /nfs/dbraw/zinc/89/65/91/1140896591.db2.gz ZTEDHQQIAGMCQP-UHFFFAOYSA-N 1 2 340.324 3.635 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000268361058 1140925910 /nfs/dbraw/zinc/92/59/10/1140925910.db2.gz GZUXCWSTDPUFGC-CVEARBPZSA-N 1 2 347.459 3.874 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000268361058 1140925917 /nfs/dbraw/zinc/92/59/17/1140925917.db2.gz GZUXCWSTDPUFGC-CVEARBPZSA-N 1 2 347.459 3.874 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]C[C@@H]3CCCCO3)c3ccccc3)n2)cc1 ZINC000268566423 1140956330 /nfs/dbraw/zinc/95/63/30/1140956330.db2.gz KSBZHZMREOMBDE-OALUTQOASA-N 1 2 349.434 3.985 20 0 EHADLO CC(C)N(Cc1ccccc1F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268602503 1140960613 /nfs/dbraw/zinc/96/06/13/1140960613.db2.gz VAKJRLRWUGISEH-UHFFFAOYSA-N 1 2 340.402 3.594 20 0 EHADLO COc1ccsc1C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000268825378 1141000527 /nfs/dbraw/zinc/00/05/27/1141000527.db2.gz YWCZHZHBHRUTMM-LLVKDONJSA-N 1 2 345.424 3.666 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000269093828 1141064451 /nfs/dbraw/zinc/06/44/51/1141064451.db2.gz MAZWNRLEMCPORT-ZZXKWVIFSA-N 1 2 338.238 3.752 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000269220904 1141080157 /nfs/dbraw/zinc/08/01/57/1141080157.db2.gz VCNAYHAKBYAQDL-UHFFFAOYSA-N 1 2 346.434 3.526 20 0 EHADLO Clc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000269282081 1141088578 /nfs/dbraw/zinc/08/85/78/1141088578.db2.gz KWCBOTCTLLYHLR-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(Br)c1 ZINC000269282081 1141088586 /nfs/dbraw/zinc/08/85/86/1141088586.db2.gz KWCBOTCTLLYHLR-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO CCC(CC)n1ccc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000269332645 1141094372 /nfs/dbraw/zinc/09/43/72/1141094372.db2.gz INEYYVMPCWATKG-DEOSSOPVSA-N 1 2 344.484 3.649 20 0 EHADLO CC(C)C[C@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269805314 1141146663 /nfs/dbraw/zinc/14/66/63/1141146663.db2.gz MFEIXBLJSFEGSD-JKSUJKDBSA-N 1 2 333.476 3.636 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270007261 1141167500 /nfs/dbraw/zinc/16/75/00/1141167500.db2.gz ALKRXODPXUXYRG-OUKQBFOZSA-N 1 2 329.831 3.873 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270048062 1141173086 /nfs/dbraw/zinc/17/30/86/1141173086.db2.gz UEURBZSHRRTCOV-HIFRSBDPSA-N 1 2 331.847 3.648 20 0 EHADLO COc1coc(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1=O ZINC000270122839 1141181657 /nfs/dbraw/zinc/18/16/57/1141181657.db2.gz GAPIOFSQEGURLB-LBPRGKRZSA-N 1 2 336.457 3.730 20 0 EHADLO COc1coc(C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1=O ZINC000270122839 1141181659 /nfs/dbraw/zinc/18/16/59/1141181659.db2.gz GAPIOFSQEGURLB-LBPRGKRZSA-N 1 2 336.457 3.730 20 0 EHADLO CC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1 ZINC000270218213 1141193773 /nfs/dbraw/zinc/19/37/73/1141193773.db2.gz GYUKNTDTFFPCSI-UHFFFAOYSA-N 1 2 336.439 3.914 20 0 EHADLO C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H]1C ZINC000270228346 1141194351 /nfs/dbraw/zinc/19/43/51/1141194351.db2.gz HYJKSOKXGSJEJB-GJZGRUSLSA-N 1 2 336.439 3.722 20 0 EHADLO c1csc(-c2nc(CNc3cc(NCC4CC4)[nH+]cn3)co2)c1 ZINC000270301227 1141203544 /nfs/dbraw/zinc/20/35/44/1141203544.db2.gz PFRNBEPYYACJBU-UHFFFAOYSA-N 1 2 327.413 3.627 20 0 EHADLO c1csc(-c2nc(CNc3cc(NCC4CC4)nc[nH+]3)co2)c1 ZINC000270301227 1141203554 /nfs/dbraw/zinc/20/35/54/1141203554.db2.gz PFRNBEPYYACJBU-UHFFFAOYSA-N 1 2 327.413 3.627 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1CCC(F)(F)F ZINC000270321177 1141206091 /nfs/dbraw/zinc/20/60/91/1141206091.db2.gz BJOBGVZKHXYEFL-UHFFFAOYSA-N 1 2 339.361 3.540 20 0 EHADLO CC(C)c1cc(NCc2nc(-c3ccncc3)no2)nc(C(C)C)[nH+]1 ZINC000270503016 1141232759 /nfs/dbraw/zinc/23/27/59/1141232759.db2.gz NCHWXPOZBQEXNH-UHFFFAOYSA-N 1 2 338.415 3.781 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000270724593 1141261867 /nfs/dbraw/zinc/26/18/67/1141261867.db2.gz LPDKCEMNVUKPCK-UHFFFAOYSA-N 1 2 334.414 3.654 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc(CC)s1 ZINC000270981545 1141289815 /nfs/dbraw/zinc/28/98/15/1141289815.db2.gz DIMIMAVGXSZDBX-UHFFFAOYSA-N 1 2 331.485 3.865 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc(CC)s1 ZINC000270981545 1141289820 /nfs/dbraw/zinc/28/98/20/1141289820.db2.gz DIMIMAVGXSZDBX-UHFFFAOYSA-N 1 2 331.485 3.865 20 0 EHADLO CCc1cccnc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000271083394 1141305878 /nfs/dbraw/zinc/30/58/78/1141305878.db2.gz GPEQLZPDPAZWOB-UHFFFAOYSA-N 1 2 344.484 3.585 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000271146273 1141313883 /nfs/dbraw/zinc/31/38/83/1141313883.db2.gz HZPCCWWBWUCIDC-UHFFFAOYSA-N 1 2 349.862 3.541 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc2n1CCCCC2 ZINC000271645108 1141412090 /nfs/dbraw/zinc/41/20/90/1141412090.db2.gz DDFXQQKOQLDSFM-MRXNPFEDSA-N 1 2 328.460 3.644 20 0 EHADLO Cc1csc(C[NH2+][C@@H](C)c2cc(Br)ncc2F)n1 ZINC000273817952 1141426150 /nfs/dbraw/zinc/42/61/50/1141426150.db2.gz CIJFNRRJOZXILB-QMMMGPOBSA-N 1 2 330.226 3.599 20 0 EHADLO CC1(CO)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000273861404 1141434577 /nfs/dbraw/zinc/43/45/77/1141434577.db2.gz MGBKVBRYTZVAKE-UHFFFAOYSA-N 1 2 335.245 3.596 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000274091786 1141473640 /nfs/dbraw/zinc/47/36/40/1141473640.db2.gz USWLGBMHRSKVJE-UHFFFAOYSA-N 1 2 336.407 3.644 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc2[nH+]1 ZINC000339122525 1141503142 /nfs/dbraw/zinc/50/31/42/1141503142.db2.gz AVNFCYSSKVUQSW-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217409 1141531663 /nfs/dbraw/zinc/53/16/63/1141531663.db2.gz CHZCBXAUZIGGDF-KSSFIOAISA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217409 1141531666 /nfs/dbraw/zinc/53/16/66/1141531666.db2.gz CHZCBXAUZIGGDF-KSSFIOAISA-N 1 2 345.512 3.929 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cccc(O)c1Cl)c1nnc2ccccn21 ZINC000339220544 1141531939 /nfs/dbraw/zinc/53/19/39/1141531939.db2.gz OWVLCTGMVGZHKQ-INIZCTEOSA-N 1 2 330.819 3.575 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000348573053 1141553220 /nfs/dbraw/zinc/55/32/20/1141553220.db2.gz VFWMQRNMPNBKCK-RDJZCZTQSA-N 1 2 343.496 3.636 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000348573053 1141553223 /nfs/dbraw/zinc/55/32/23/1141553223.db2.gz VFWMQRNMPNBKCK-RDJZCZTQSA-N 1 2 343.496 3.636 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C(C)(C)C)s1 ZINC000283154948 1141563259 /nfs/dbraw/zinc/56/32/59/1141563259.db2.gz XURAJVUNNWMULO-CABCVRRESA-N 1 2 342.512 3.994 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C(C)(C)C)s1 ZINC000283154948 1141563264 /nfs/dbraw/zinc/56/32/64/1141563264.db2.gz XURAJVUNNWMULO-CABCVRRESA-N 1 2 342.512 3.994 20 0 EHADLO C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348805444 1141582769 /nfs/dbraw/zinc/58/27/69/1141582769.db2.gz SGCUUGPQSHKNHT-CRAIPNDOSA-N 1 2 346.434 3.649 20 0 EHADLO CSc1ccccc1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000348818900 1141586899 /nfs/dbraw/zinc/58/68/99/1141586899.db2.gz QIUVSIXIGXRXEU-UHFFFAOYSA-N 1 2 337.448 3.866 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000283317635 1141596734 /nfs/dbraw/zinc/59/67/34/1141596734.db2.gz ZLBUMAAPJMOLQS-ASSNKEHSSA-N 1 2 343.279 3.598 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348881113 1141603143 /nfs/dbraw/zinc/60/31/43/1141603143.db2.gz PSLHIHSGDFTLAF-OAQYLSRUSA-N 1 2 345.446 3.951 20 0 EHADLO CN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CCCCC1 ZINC000054006394 214210544 /nfs/dbraw/zinc/21/05/44/214210544.db2.gz WKHMDIOCBGDIQW-KRWDZBQOSA-N 1 2 344.434 3.623 20 0 EHADLO CC[C@H](C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000098076397 219079738 /nfs/dbraw/zinc/07/97/38/219079738.db2.gz REYVOCNQXVEYQP-GUYCJALGSA-N 1 2 343.496 3.899 20 0 EHADLO CC[C@H](C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000098076397 219079740 /nfs/dbraw/zinc/07/97/40/219079740.db2.gz REYVOCNQXVEYQP-GUYCJALGSA-N 1 2 343.496 3.899 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032710 213193594 /nfs/dbraw/zinc/19/35/94/213193594.db2.gz CWOCQFNEKHMRQI-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CCc2c(N)cccc2C1 ZINC000038032710 213193597 /nfs/dbraw/zinc/19/35/97/213193597.db2.gz CWOCQFNEKHMRQI-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000022786874 212325467 /nfs/dbraw/zinc/32/54/67/212325467.db2.gz LXHGAKQUUOORBY-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO Cn1cc[nH+]c1-c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 ZINC000079586835 217243159 /nfs/dbraw/zinc/24/31/59/217243159.db2.gz ZFDNJZHBOIUWTP-UHFFFAOYSA-N 1 2 331.375 3.502 20 0 EHADLO CCOC(=O)CCc1cc(N[C@@H](C)c2ccc(Cl)cn2)nc(C)[nH+]1 ZINC000601156767 478694101 /nfs/dbraw/zinc/69/41/01/478694101.db2.gz ZFSJKTGLCRMIOC-NSHDSACASA-N 1 2 348.834 3.502 20 0 EHADLO Cc1cc2[nH+]cn(CC3CCN(C(=O)C(C)(C)C)CC3)c2cc1C ZINC000038535251 525682783 /nfs/dbraw/zinc/68/27/83/525682783.db2.gz SLFSMXRJDFYAEZ-UHFFFAOYSA-N 1 2 327.472 3.938 20 0 EHADLO CCc1nc(NC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)sc1C ZINC000369784559 564094544 /nfs/dbraw/zinc/09/45/44/564094544.db2.gz PAVJPWSNTXLOEG-AWEZNQCLSA-N 1 2 347.488 3.989 20 0 EHADLO C[C@@H]1c2ccsc2CCN1c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000820825694 606443095 /nfs/dbraw/zinc/44/30/95/606443095.db2.gz BHMDMLXRTGPTPT-LLVKDONJSA-N 1 2 348.435 3.600 20 0 EHADLO COc1cc(C)[nH+]c(CSc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826178512 607932704 /nfs/dbraw/zinc/93/27/04/607932704.db2.gz ASZHXAWCYDLJRL-UHFFFAOYSA-N 1 2 347.831 3.524 20 0 EHADLO Clc1cnc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000182431413 1032059137 /nfs/dbraw/zinc/05/91/37/1032059137.db2.gz IBEABZYWDADLNL-AWEZNQCLSA-N 1 2 345.270 3.548 20 0 EHADLO COC(=O)C[N@H+](CCCCC(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000153238993 1125459268 /nfs/dbraw/zinc/45/92/68/1125459268.db2.gz AOQMTBQDKLFBCO-UHFFFAOYSA-N 1 2 339.304 3.672 20 0 EHADLO COC(=O)C[N@@H+](CCCCC(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000153238993 1125459271 /nfs/dbraw/zinc/45/92/71/1125459271.db2.gz AOQMTBQDKLFBCO-UHFFFAOYSA-N 1 2 339.304 3.672 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1F ZINC000135130628 1032068748 /nfs/dbraw/zinc/06/87/48/1032068748.db2.gz VJTPFSPWVCBHFY-HNNXBMFYSA-N 1 2 330.338 3.680 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1F ZINC000135130628 1032068763 /nfs/dbraw/zinc/06/87/63/1032068763.db2.gz VJTPFSPWVCBHFY-HNNXBMFYSA-N 1 2 330.338 3.680 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000536659772 1032072966 /nfs/dbraw/zinc/07/29/66/1032072966.db2.gz WQJJVDZWRMNVEW-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000536659772 1032072979 /nfs/dbraw/zinc/07/29/79/1032072979.db2.gz WQJJVDZWRMNVEW-VBKZILBWSA-N 1 2 345.414 3.805 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000620148677 1125485753 /nfs/dbraw/zinc/48/57/53/1125485753.db2.gz GSQPPJCCEFVOFP-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000620148677 1125485759 /nfs/dbraw/zinc/48/57/59/1125485759.db2.gz GSQPPJCCEFVOFP-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000090187820 1023081058 /nfs/dbraw/zinc/08/10/58/1023081058.db2.gz KYEAQSOBRAYAQX-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO COc1nccc(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000449036960 1032082874 /nfs/dbraw/zinc/08/28/74/1032082874.db2.gz LYFYGBDHUSTVGV-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1nccc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000449036960 1032082895 /nfs/dbraw/zinc/08/28/95/1032082895.db2.gz LYFYGBDHUSTVGV-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO Cc1cn2cc(NC(=O)COc3ccc(Cl)cc3C)ccc2[nH+]1 ZINC000339269180 1014135792 /nfs/dbraw/zinc/13/57/92/1014135792.db2.gz CHKYKDMGNQKKMW-UHFFFAOYSA-N 1 2 329.787 3.622 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000343725870 1032084907 /nfs/dbraw/zinc/08/49/07/1032084907.db2.gz DXCTUUMMZOBTPR-CQSZACIVSA-N 1 2 348.878 3.539 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000343725870 1032084898 /nfs/dbraw/zinc/08/48/98/1032084898.db2.gz DXCTUUMMZOBTPR-CQSZACIVSA-N 1 2 348.878 3.539 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1nc2c(s1)CCC2 ZINC000579685965 1014183193 /nfs/dbraw/zinc/18/31/93/1014183193.db2.gz ZFRMPAJIDQMERG-LBPRGKRZSA-N 1 2 329.473 3.585 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1nc2c(s1)CCC2 ZINC000579685965 1014183200 /nfs/dbraw/zinc/18/32/00/1014183200.db2.gz ZFRMPAJIDQMERG-LBPRGKRZSA-N 1 2 329.473 3.585 20 0 EHADLO Cc1cc(Cl)cc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000339321644 1014211022 /nfs/dbraw/zinc/21/10/22/1014211022.db2.gz OZIQVDQYCXVPEB-UHFFFAOYSA-N 1 2 331.847 3.617 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cnc2ccsc2c1 ZINC000090232665 1014226028 /nfs/dbraw/zinc/22/60/28/1014226028.db2.gz UQMLHEIHXWXQGZ-CYBMUJFWSA-N 1 2 335.436 3.728 20 0 EHADLO Cc1cn2cc(NC(=O)CSc3nc4ccccc4o3)ccc2[nH+]1 ZINC000339390055 1014323961 /nfs/dbraw/zinc/32/39/61/1014323961.db2.gz BAIKERTYPYNSRI-UHFFFAOYSA-N 1 2 338.392 3.515 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683113046 1014349377 /nfs/dbraw/zinc/34/93/77/1014349377.db2.gz BQDMTOKOQZCGLO-JKSUJKDBSA-N 1 2 336.435 3.661 20 0 EHADLO Cc1csc(C(=O)Nc2ccc3[nH+]ccn3c2)c1Br ZINC000683114692 1014359569 /nfs/dbraw/zinc/35/95/69/1014359569.db2.gz OYABQKPLLMRDJD-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCS[C@@H](c4ccccc4)C3)ccn12 ZINC000654807946 1014433264 /nfs/dbraw/zinc/43/32/64/1014433264.db2.gz HIVJAAULBOESDH-QGZVFWFLSA-N 1 2 337.448 3.573 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000547630446 1014473001 /nfs/dbraw/zinc/47/30/01/1014473001.db2.gz YGHMPFACLSTSTJ-SUMWQHHRSA-N 1 2 346.862 3.548 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000339471144 1014537349 /nfs/dbraw/zinc/53/73/49/1014537349.db2.gz ZSJXQALTXJMDTO-VAMGGRTRSA-N 1 2 345.446 3.693 20 0 EHADLO CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001595281875 980339125 /nfs/dbraw/zinc/33/91/25/980339125.db2.gz UGPZNVPVEGEBMN-SJORKVTESA-N 1 2 329.444 3.737 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc(C(F)(F)F)s2)c(F)c1 ZINC000339524201 1014700717 /nfs/dbraw/zinc/70/07/17/1014700717.db2.gz QAHPRTVUQNKYRF-UHFFFAOYSA-N 1 2 326.265 3.869 20 0 EHADLO CCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)(C(=O)[O-])CC1 ZINC001595428289 981048766 /nfs/dbraw/zinc/04/87/66/981048766.db2.gz MZAHMJYCZPJUIB-UHFFFAOYSA-N 1 2 341.455 3.694 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCO1 ZINC000932344580 1014949031 /nfs/dbraw/zinc/94/90/31/1014949031.db2.gz LCCMHUNDYVJEAN-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCO1 ZINC000932344580 1014949042 /nfs/dbraw/zinc/94/90/42/1014949042.db2.gz LCCMHUNDYVJEAN-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cncn2C)ccc1Br ZINC000430211818 1015009808 /nfs/dbraw/zinc/00/98/08/1015009808.db2.gz AZIRWNOZQZKXJU-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cncn2C)ccc1Br ZINC000430211818 1015009816 /nfs/dbraw/zinc/00/98/16/1015009816.db2.gz AZIRWNOZQZKXJU-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO C[C@H]1Cc2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c2O1 ZINC001125301939 1015325060 /nfs/dbraw/zinc/32/50/60/1015325060.db2.gz ZBOTVPOOICYICN-LBPRGKRZSA-N 1 2 337.354 3.587 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339627774 1015412650 /nfs/dbraw/zinc/41/26/50/1015412650.db2.gz AUVBEBAIAXCMLK-HUUCEWRRSA-N 1 2 342.443 3.619 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c(C2CC2)cc1Cl ZINC000655411871 1015585392 /nfs/dbraw/zinc/58/53/92/1015585392.db2.gz OIXVOBCATBBWOB-LBPRGKRZSA-N 1 2 345.830 3.624 20 0 EHADLO CC(C)c1ocnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000092798942 1015597311 /nfs/dbraw/zinc/59/73/11/1015597311.db2.gz OKDGLSWFFYYRNS-QGZVFWFLSA-N 1 2 341.455 3.583 20 0 EHADLO CC(C)c1ocnc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000092798942 1015597321 /nfs/dbraw/zinc/59/73/21/1015597321.db2.gz OKDGLSWFFYYRNS-QGZVFWFLSA-N 1 2 341.455 3.583 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccn2C)CC1 ZINC000536679230 1032120566 /nfs/dbraw/zinc/12/05/66/1032120566.db2.gz ZDJINEWJEYYWCJ-IBGZPJMESA-N 1 2 333.426 3.572 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1cccnc1 ZINC000154609002 1015627659 /nfs/dbraw/zinc/62/76/59/1015627659.db2.gz KIWOLGNAZTZTNC-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000154609002 1015627669 /nfs/dbraw/zinc/62/76/69/1015627669.db2.gz KIWOLGNAZTZTNC-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339783338 1015668589 /nfs/dbraw/zinc/66/85/89/1015668589.db2.gz QQZSUIKEXJJQBL-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2c(F)cccc2C1 ZINC000339783338 1015668592 /nfs/dbraw/zinc/66/85/92/1015668592.db2.gz QQZSUIKEXJJQBL-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826256 1015713121 /nfs/dbraw/zinc/71/31/21/1015713121.db2.gz CEHFHRNEJMLVLI-RYUDHWBXSA-N 1 2 344.352 3.586 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000339826256 1015713126 /nfs/dbraw/zinc/71/31/26/1015713126.db2.gz CEHFHRNEJMLVLI-RYUDHWBXSA-N 1 2 344.352 3.586 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339846443 1015740601 /nfs/dbraw/zinc/74/06/01/1015740601.db2.gz CFJAQOPIBWRCAD-GOSISDBHSA-N 1 2 331.375 3.571 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246114347 1015788227 /nfs/dbraw/zinc/78/82/27/1015788227.db2.gz KHHKUKKXMKQILA-RBSFLKMASA-N 1 2 339.505 3.663 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246114347 1015788233 /nfs/dbraw/zinc/78/82/33/1015788233.db2.gz KHHKUKKXMKQILA-RBSFLKMASA-N 1 2 339.505 3.663 20 0 EHADLO COc1cccc2c(C[N@@H+](C)Cc3nc([C@H](C)OC)no3)cccc12 ZINC000449051326 1032127651 /nfs/dbraw/zinc/12/76/51/1032127651.db2.gz XLZRLOBRXHDMAK-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO COc1cccc2c(C[N@H+](C)Cc3nc([C@H](C)OC)no3)cccc12 ZINC000449051326 1032127661 /nfs/dbraw/zinc/12/76/61/1032127661.db2.gz XLZRLOBRXHDMAK-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000154823816 1015821967 /nfs/dbraw/zinc/82/19/67/1015821967.db2.gz WFCPVSQCBZLNFF-UXHICEINSA-N 1 2 333.435 3.689 20 0 EHADLO O=C(/C=C\C1CCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000843545640 1015846062 /nfs/dbraw/zinc/84/60/62/1015846062.db2.gz XBORMTFMBIMMKG-KTKRTIGZSA-N 1 2 327.472 3.825 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1=Cc2ccccc2OC1 ZINC000180114490 1015860270 /nfs/dbraw/zinc/86/02/70/1015860270.db2.gz VQJFZKKTISKLFJ-UHFFFAOYSA-N 1 2 342.826 3.686 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC1=Cc2ccccc2OC1 ZINC000180114490 1015860276 /nfs/dbraw/zinc/86/02/76/1015860276.db2.gz VQJFZKKTISKLFJ-UHFFFAOYSA-N 1 2 342.826 3.686 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000255045411 1015985962 /nfs/dbraw/zinc/98/59/62/1015985962.db2.gz FOIASYILEKFZHP-RAXLEYEMSA-N 1 2 325.799 3.707 20 0 EHADLO Cc1ccccc1CC(N)=[NH+]O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000080291517 1016015329 /nfs/dbraw/zinc/01/53/29/1016015329.db2.gz QOOXGSGWAJBWHJ-LBPRGKRZSA-N 1 2 342.424 3.699 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)s2)c(F)c1 ZINC000547766551 1016042743 /nfs/dbraw/zinc/04/27/43/1016042743.db2.gz DCDDLQPLAAGNJR-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)s2)c(F)c1 ZINC000547766551 1016042754 /nfs/dbraw/zinc/04/27/54/1016042754.db2.gz DCDDLQPLAAGNJR-UHFFFAOYSA-N 1 2 327.808 3.959 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000081318486 1016051639 /nfs/dbraw/zinc/05/16/39/1016051639.db2.gz SJAHHKGKCCLBLR-OZSKJFCKSA-N 1 2 337.448 3.595 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000084771836 1016092244 /nfs/dbraw/zinc/09/22/44/1016092244.db2.gz BWFSAZZIJJQFFF-ONEGZZNKSA-N 1 2 336.426 3.586 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000084771836 1016092255 /nfs/dbraw/zinc/09/22/55/1016092255.db2.gz BWFSAZZIJJQFFF-ONEGZZNKSA-N 1 2 336.426 3.586 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000047533755 1016148961 /nfs/dbraw/zinc/14/89/61/1016148961.db2.gz RUFPLRZDKXKGBM-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(C2CCCCC2)[nH]n1 ZINC000340038123 1016154478 /nfs/dbraw/zinc/15/44/78/1016154478.db2.gz LGXLZZHJDZOYEK-UHFFFAOYSA-N 1 2 335.411 3.895 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000047597486 1016202171 /nfs/dbraw/zinc/20/21/71/1016202171.db2.gz JWALOAHDUMAVTA-HXUWFJFHSA-N 1 2 348.450 3.556 20 0 EHADLO Cc1cc(-c2ccccc2F)nnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125539 1016205943 /nfs/dbraw/zinc/20/59/43/1016205943.db2.gz LNCKJUFOTOJHBE-UHFFFAOYSA-N 1 2 337.402 3.629 20 0 EHADLO CN(CC1C[NH+](Cc2ccc(Cl)s2)C1)C(=O)OC(C)(C)C ZINC001204440313 1016212398 /nfs/dbraw/zinc/21/23/98/1016212398.db2.gz DBUUOEMBWHFGHN-UHFFFAOYSA-N 1 2 330.881 3.700 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1csc(Cl)c1Cl ZINC000683341273 1016268639 /nfs/dbraw/zinc/26/86/39/1016268639.db2.gz KASXQYPTNMMYJK-LLVKDONJSA-N 1 2 332.252 3.887 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000043312077 1016334905 /nfs/dbraw/zinc/33/49/05/1016334905.db2.gz LGGRZNVQAAFVSQ-SFHVURJKSA-N 1 2 328.460 3.703 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCCC[C@H]1c1ncc(Br)cn1 ZINC000932519456 1016382000 /nfs/dbraw/zinc/38/20/00/1016382000.db2.gz AGTJHFPVQHYTQU-ZDUSSCGKSA-N 1 2 342.281 3.581 20 0 EHADLO COC(C)(C)CC[N@H+]1CCCC[C@H]1c1ncc(Br)cn1 ZINC000932519456 1016382008 /nfs/dbraw/zinc/38/20/08/1016382008.db2.gz AGTJHFPVQHYTQU-ZDUSSCGKSA-N 1 2 342.281 3.581 20 0 EHADLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccoc1 ZINC000588169002 1016423291 /nfs/dbraw/zinc/42/32/91/1016423291.db2.gz KYIYDEMTJRBDNZ-UHFFFAOYSA-N 1 2 340.467 3.730 20 0 EHADLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccoc1 ZINC000588169002 1016423313 /nfs/dbraw/zinc/42/33/13/1016423313.db2.gz KYIYDEMTJRBDNZ-UHFFFAOYSA-N 1 2 340.467 3.730 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000247080369 1016426464 /nfs/dbraw/zinc/42/64/64/1016426464.db2.gz ZIDJDGVESBIRNB-SOLBZPMBSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000247080369 1016426475 /nfs/dbraw/zinc/42/64/75/1016426475.db2.gz ZIDJDGVESBIRNB-SOLBZPMBSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)c1ccnn1C ZINC000926811876 1016592269 /nfs/dbraw/zinc/59/22/69/1016592269.db2.gz IVMSDZGVDCDDSY-RKDXNWHRSA-N 1 2 332.757 3.899 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185688 1016643099 /nfs/dbraw/zinc/64/30/99/1016643099.db2.gz OVXAOJYZPXYPDF-UTKZUKDTSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185688 1016643108 /nfs/dbraw/zinc/64/31/08/1016643108.db2.gz OVXAOJYZPXYPDF-UTKZUKDTSA-N 1 2 333.435 3.834 20 0 EHADLO c1csc([C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2nnc[nH]2)c1 ZINC000340237575 1016755701 /nfs/dbraw/zinc/75/57/01/1016755701.db2.gz QRUFHNIUOOYYEE-KRWDZBQOSA-N 1 2 337.452 3.659 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(F)c2)C[C@H](C)O1 ZINC000046342149 1016858725 /nfs/dbraw/zinc/85/87/25/1016858725.db2.gz WSJUYHFAMHFCPB-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(F)c2)C[C@H](C)O1 ZINC000046342149 1016858747 /nfs/dbraw/zinc/85/87/47/1016858747.db2.gz WSJUYHFAMHFCPB-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000579904840 1016934174 /nfs/dbraw/zinc/93/41/74/1016934174.db2.gz VFGPXTDXRWMDQQ-LJQANCHMSA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000579904840 1016934190 /nfs/dbraw/zinc/93/41/90/1016934190.db2.gz VFGPXTDXRWMDQQ-LJQANCHMSA-N 1 2 334.419 3.515 20 0 EHADLO O=C(NCCC1=CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376639843 1016947305 /nfs/dbraw/zinc/94/73/05/1016947305.db2.gz DKKYCZFNEQTNSL-KRWDZBQOSA-N 1 2 342.487 3.609 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376693662 1016966498 /nfs/dbraw/zinc/96/64/98/1016966498.db2.gz IBFDZXPLMMXGJW-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000120804949 1016974833 /nfs/dbraw/zinc/97/48/33/1016974833.db2.gz PWSIZGXUGTXYOV-KGLIPLIRSA-N 1 2 334.427 3.609 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000311812096 1017010815 /nfs/dbraw/zinc/01/08/15/1017010815.db2.gz DKPJESURZZBXIL-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000311812096 1017010831 /nfs/dbraw/zinc/01/08/31/1017010831.db2.gz DKPJESURZZBXIL-SNVBAGLBSA-N 1 2 338.167 3.842 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000459482610 1032176010 /nfs/dbraw/zinc/17/60/10/1032176010.db2.gz YBYGCYSABQDMCQ-KRWDZBQOSA-N 1 2 345.443 3.857 20 0 EHADLO C[N@H+](CCc1cccc2ccccc21)Cc1coc(S(C)(=O)=O)c1 ZINC000528367123 1032194523 /nfs/dbraw/zinc/19/45/23/1032194523.db2.gz WAMTYGAWWBDQSV-UHFFFAOYSA-N 1 2 343.448 3.511 20 0 EHADLO C[N@@H+](CCc1cccc2ccccc21)Cc1coc(S(C)(=O)=O)c1 ZINC000528367123 1032194533 /nfs/dbraw/zinc/19/45/33/1032194533.db2.gz WAMTYGAWWBDQSV-UHFFFAOYSA-N 1 2 343.448 3.511 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000528369345 1032199094 /nfs/dbraw/zinc/19/90/94/1032199094.db2.gz ZXTPNHJEJANJOO-DLBZAZTESA-N 1 2 347.434 3.727 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000528369345 1032199101 /nfs/dbraw/zinc/19/91/01/1032199101.db2.gz ZXTPNHJEJANJOO-DLBZAZTESA-N 1 2 347.434 3.727 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[NH+](C/C=C(\C)Cl)CC2)cs1 ZINC000528387059 1032208829 /nfs/dbraw/zinc/20/88/29/1032208829.db2.gz CUUDLJLEODTVDQ-BRRGFWCPSA-N 1 2 343.924 3.501 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176829128 1032227048 /nfs/dbraw/zinc/22/70/48/1032227048.db2.gz UUCMSJCEROVHLG-AWEZNQCLSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)[C@@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176829128 1032227057 /nfs/dbraw/zinc/22/70/57/1032227057.db2.gz UUCMSJCEROVHLG-AWEZNQCLSA-N 1 2 345.516 3.964 20 0 EHADLO FC(F)(F)c1cccc(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000080948610 1032227362 /nfs/dbraw/zinc/22/73/62/1032227362.db2.gz HPOPFXRSGVKHJY-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO Cc1[nH+]cc(CNc2cccc3c2OCC[C@@H]3O)n1-c1ccccc1 ZINC000184078262 1032249436 /nfs/dbraw/zinc/24/94/36/1032249436.db2.gz SZFQEPYMJAIGOO-IBGZPJMESA-N 1 2 335.407 3.609 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000459551369 1032269773 /nfs/dbraw/zinc/26/97/73/1032269773.db2.gz VPAJSOFALYVPDN-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)c1nc3ccccc3o1)C2 ZINC000459551369 1032269784 /nfs/dbraw/zinc/26/97/84/1032269784.db2.gz VPAJSOFALYVPDN-CYBMUJFWSA-N 1 2 336.391 3.734 20 0 EHADLO CCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)n1 ZINC000184421713 1032269869 /nfs/dbraw/zinc/26/98/69/1032269869.db2.gz OGRQYSUKAVEBHQ-UHFFFAOYSA-N 1 2 344.484 3.647 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2cccc(OC)c2)s1 ZINC000841504672 1032307664 /nfs/dbraw/zinc/30/76/64/1032307664.db2.gz KCWPJNVBJQXCJE-UHFFFAOYSA-N 1 2 328.441 3.571 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000081452388 1032320742 /nfs/dbraw/zinc/32/07/42/1032320742.db2.gz JYMBRRASEYAXKR-INIZCTEOSA-N 1 2 347.418 3.668 20 0 EHADLO CC(C)(C)CC(=O)N1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000668439611 1032346706 /nfs/dbraw/zinc/34/67/06/1032346706.db2.gz BOYFYLVAOZOGAR-UHFFFAOYSA-N 1 2 329.488 3.800 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1C ZINC000459632524 1032349163 /nfs/dbraw/zinc/34/91/63/1032349163.db2.gz NMUOCGUNLGOCSY-WDEREUQCSA-N 1 2 334.441 3.732 20 0 EHADLO C[C@H](CNc1c[nH+]cc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000668440175 1032352862 /nfs/dbraw/zinc/35/28/62/1032352862.db2.gz KIHZNGWUUDHZFZ-CQSZACIVSA-N 1 2 344.480 3.580 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185281736 1032375539 /nfs/dbraw/zinc/37/55/39/1032375539.db2.gz ROHLFOZLIFBMRI-INIZCTEOSA-N 1 2 343.858 3.505 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1nc2c(s1)CCC2 ZINC000459635022 1032381700 /nfs/dbraw/zinc/38/17/00/1032381700.db2.gz OBZHRJVVHJIMTK-SNVBAGLBSA-N 1 2 335.860 3.575 20 0 EHADLO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)Cc1ccccc1O ZINC000160539458 1032385788 /nfs/dbraw/zinc/38/57/88/1032385788.db2.gz IECGVIDDFQMARB-UHFFFAOYSA-N 1 2 346.228 3.663 20 0 EHADLO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)Cc1ccccc1O ZINC000160539458 1032385799 /nfs/dbraw/zinc/38/57/99/1032385799.db2.gz IECGVIDDFQMARB-UHFFFAOYSA-N 1 2 346.228 3.663 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000528518015 1032394846 /nfs/dbraw/zinc/39/48/46/1032394846.db2.gz JFKVGCDLFFDBGB-CABZTGNLSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000528518015 1032394859 /nfs/dbraw/zinc/39/48/59/1032394859.db2.gz JFKVGCDLFFDBGB-CABZTGNLSA-N 1 2 334.204 3.584 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000538493605 1032396628 /nfs/dbraw/zinc/39/66/28/1032396628.db2.gz VCIIZPSMACCAJZ-INIZCTEOSA-N 1 2 330.497 3.884 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000538493605 1032396639 /nfs/dbraw/zinc/39/66/39/1032396639.db2.gz VCIIZPSMACCAJZ-INIZCTEOSA-N 1 2 330.497 3.884 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)nc1C ZINC000459678414 1032406611 /nfs/dbraw/zinc/40/66/11/1032406611.db2.gz VUAXSFWZLVMTLT-UHFFFAOYSA-N 1 2 348.372 3.894 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c2ccccc21 ZINC000343781743 1032413780 /nfs/dbraw/zinc/41/37/80/1032413780.db2.gz BHKRLKBKKOYWOS-IFXJQAMLSA-N 1 2 336.414 3.804 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(CC1CC1)c1ccccc1 ZINC000084373280 1032423814 /nfs/dbraw/zinc/42/38/14/1032423814.db2.gz FMNHMBGMSJBCAN-UHFFFAOYSA-N 1 2 331.419 3.988 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1ccn(C)n1 ZINC000459772331 1032462234 /nfs/dbraw/zinc/46/22/34/1032462234.db2.gz ZQLNXJPIBBUKDK-ZETCQYMHSA-N 1 2 334.670 3.748 20 0 EHADLO C[C@]1(F)CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000449349910 1032466098 /nfs/dbraw/zinc/46/60/98/1032466098.db2.gz KYDCOPVIJOMOFJ-KRWDZBQOSA-N 1 2 326.843 3.501 20 0 EHADLO C[C@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000449349910 1032466103 /nfs/dbraw/zinc/46/61/03/1032466103.db2.gz KYDCOPVIJOMOFJ-KRWDZBQOSA-N 1 2 326.843 3.501 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000537021685 1032486065 /nfs/dbraw/zinc/48/60/65/1032486065.db2.gz IUIGHFNVXWHYPE-CYBMUJFWSA-N 1 2 348.468 3.958 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000537057957 1032496313 /nfs/dbraw/zinc/49/63/13/1032496313.db2.gz BQZOXFXESVMISZ-UHFFFAOYSA-N 1 2 335.407 3.833 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H](C)c3ccco3)CC2)s1 ZINC000528627077 1032523043 /nfs/dbraw/zinc/52/30/43/1032523043.db2.gz GFVCWTYDNOJMBV-OAHLLOKOSA-N 1 2 346.496 3.742 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C(C)(C)c2cccc(Cl)c2)cs1 ZINC000537111883 1032524873 /nfs/dbraw/zinc/52/48/73/1032524873.db2.gz VMOBZUGGVWEZNZ-UHFFFAOYSA-N 1 2 338.860 3.998 20 0 EHADLO C[C@H]1CCCN(C(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000537132895 1032530700 /nfs/dbraw/zinc/53/07/00/1032530700.db2.gz UWFSVAWGAOJQID-LBPRGKRZSA-N 1 2 341.282 3.831 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000449430340 1032546650 /nfs/dbraw/zinc/54/66/50/1032546650.db2.gz VZXXSKYEWZVUNG-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000449430340 1032546656 /nfs/dbraw/zinc/54/66/56/1032546656.db2.gz VZXXSKYEWZVUNG-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1c(F)cccc1Cl ZINC000537178159 1032549746 /nfs/dbraw/zinc/54/97/46/1032549746.db2.gz RHYSRKYWQWOSMW-XQQFMLRXSA-N 1 2 326.843 3.919 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H](c3ccccn3)C3CCC3)o2)c(C)o1 ZINC000528648104 1032553069 /nfs/dbraw/zinc/55/30/69/1032553069.db2.gz FWJDJPPPNGQMPP-SFHVURJKSA-N 1 2 338.411 3.972 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H](c3ccccn3)C3CCC3)o2)c(C)o1 ZINC000528648103 1032553569 /nfs/dbraw/zinc/55/35/69/1032553569.db2.gz FWJDJPPPNGQMPP-GOSISDBHSA-N 1 2 338.411 3.972 20 0 EHADLO CC(C)c1cc(NCc2nncn2-c2ccccc2)nc(C(C)C)[nH+]1 ZINC000090070638 1032557157 /nfs/dbraw/zinc/55/71/57/1032557157.db2.gz RVGHSUVNNKCISY-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(=O)c1ccccc1 ZINC000602090725 1032635697 /nfs/dbraw/zinc/63/56/97/1032635697.db2.gz RLFHNJVFUKXKBW-OAHLLOKOSA-N 1 2 333.391 3.720 20 0 EHADLO CC(C)Oc1ccnc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000593016814 1032643212 /nfs/dbraw/zinc/64/32/12/1032643212.db2.gz WJJZZGJMQDFIMH-MYYSRTQBSA-N 1 2 346.496 3.799 20 0 EHADLO CC(C)Oc1ccnc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000593016814 1032643220 /nfs/dbraw/zinc/64/32/20/1032643220.db2.gz WJJZZGJMQDFIMH-MYYSRTQBSA-N 1 2 346.496 3.799 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449494088 1032659080 /nfs/dbraw/zinc/65/90/80/1032659080.db2.gz GFAGKJVKJBMEMG-QMTHXVAHSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449494088 1032659095 /nfs/dbraw/zinc/65/90/95/1032659095.db2.gz GFAGKJVKJBMEMG-QMTHXVAHSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449494086 1032659700 /nfs/dbraw/zinc/65/97/00/1032659700.db2.gz GFAGKJVKJBMEMG-HZMBPMFUSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449494086 1032659706 /nfs/dbraw/zinc/65/97/06/1032659706.db2.gz GFAGKJVKJBMEMG-HZMBPMFUSA-N 1 2 348.231 3.974 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000602146551 1032670568 /nfs/dbraw/zinc/67/05/68/1032670568.db2.gz OZDRSLMMKAFFAU-SFHVURJKSA-N 1 2 325.456 3.659 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc2cc[nH]c21 ZINC000547851249 1017082357 /nfs/dbraw/zinc/08/23/57/1017082357.db2.gz FKZOGARCMMAVJJ-UHFFFAOYSA-N 1 2 349.369 3.814 20 0 EHADLO CC(C)CCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000510275434 1017145145 /nfs/dbraw/zinc/14/51/45/1017145145.db2.gz UOTXOYZTKXLWSP-SFHVURJKSA-N 1 2 344.503 3.518 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000606449113 1032688601 /nfs/dbraw/zinc/68/86/01/1032688601.db2.gz NTPFELYZHHKGPI-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000606449113 1032688614 /nfs/dbraw/zinc/68/86/14/1032688614.db2.gz NTPFELYZHHKGPI-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccncc1Br ZINC000625289780 1017330760 /nfs/dbraw/zinc/33/07/60/1017330760.db2.gz UAIQZCXENRZEFW-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc2c(s1)CCC2 ZINC000537395265 1032691770 /nfs/dbraw/zinc/69/17/70/1032691770.db2.gz UQKOIWBSRKIKRV-CYBMUJFWSA-N 1 2 329.469 3.642 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606450349 1032692392 /nfs/dbraw/zinc/69/23/92/1032692392.db2.gz XJCXASORXIRFLJ-HUUCEWRRSA-N 1 2 326.415 3.622 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606450349 1032692397 /nfs/dbraw/zinc/69/23/97/1032692397.db2.gz XJCXASORXIRFLJ-HUUCEWRRSA-N 1 2 326.415 3.622 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606450605 1032695075 /nfs/dbraw/zinc/69/50/75/1032695075.db2.gz KDSIDMBFEHOLQJ-HNNXBMFYSA-N 1 2 338.426 3.724 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606450605 1032695080 /nfs/dbraw/zinc/69/50/80/1032695080.db2.gz KDSIDMBFEHOLQJ-HNNXBMFYSA-N 1 2 338.426 3.724 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000890937196 1017387311 /nfs/dbraw/zinc/38/73/11/1017387311.db2.gz ZKSZWKYZDJOTIJ-MRXNPFEDSA-N 1 2 329.444 3.648 20 0 EHADLO CCc1nn(C)cc1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000092411892 1017457317 /nfs/dbraw/zinc/45/73/17/1017457317.db2.gz CAKNEVCQQVTWTG-IBGZPJMESA-N 1 2 340.858 3.910 20 0 EHADLO c1c(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)nn2c1CCCC2 ZINC000655723601 1017464090 /nfs/dbraw/zinc/46/40/90/1017464090.db2.gz MLZMFVMNVMUZPN-UHFFFAOYSA-N 1 2 340.471 3.616 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377212714 1017464925 /nfs/dbraw/zinc/46/49/25/1017464925.db2.gz CSNUWCXOLLRMOH-CYBMUJFWSA-N 1 2 341.846 3.724 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377212714 1017464931 /nfs/dbraw/zinc/46/49/31/1017464931.db2.gz CSNUWCXOLLRMOH-CYBMUJFWSA-N 1 2 341.846 3.724 20 0 EHADLO COc1cc(C)[nH+]c(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000549170036 1017472315 /nfs/dbraw/zinc/47/23/15/1017472315.db2.gz FXDBMZCBBMLYKC-HNNXBMFYSA-N 1 2 328.378 3.953 20 0 EHADLO Clc1cc(NCc2ccccc2-n2cc[nH+]c2)nc(C2CC2)n1 ZINC000091506162 1032706179 /nfs/dbraw/zinc/70/61/79/1032706179.db2.gz CSLKTAKAOBSDBF-UHFFFAOYSA-N 1 2 325.803 3.805 20 0 EHADLO Cc1nc(Nc2cccc3cc[nH]c32)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001210210148 1017539403 /nfs/dbraw/zinc/53/94/03/1017539403.db2.gz MKVJOUDFDPBAAE-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377274264 1017576314 /nfs/dbraw/zinc/57/63/14/1017576314.db2.gz XKOPBWKUILZOEV-UHFFFAOYSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377274264 1017576325 /nfs/dbraw/zinc/57/63/25/1017576325.db2.gz XKOPBWKUILZOEV-UHFFFAOYSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)n1 ZINC000892856516 1017595469 /nfs/dbraw/zinc/59/54/69/1017595469.db2.gz KGZCLWQCRACDRX-SNVBAGLBSA-N 1 2 335.502 3.838 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000537414967 1032714991 /nfs/dbraw/zinc/71/49/91/1032714991.db2.gz ZHRMSDCKVKUBAM-OTWHNJEPSA-N 1 2 347.499 3.733 20 0 EHADLO Cc1cscc1-c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000683600169 1017622743 /nfs/dbraw/zinc/62/27/43/1017622743.db2.gz OIXWFINTUJSRGC-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)cc1 ZINC000655796437 1017630625 /nfs/dbraw/zinc/63/06/25/1017630625.db2.gz HQNYPRAWMDOFGC-XHSDSOJGSA-N 1 2 346.862 3.736 20 0 EHADLO COc1ccc([C@@H](CC(C)C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796660 1017631383 /nfs/dbraw/zinc/63/13/83/1017631383.db2.gz HOVZXYTZINSZQD-IAGOWNOFSA-N 1 2 344.459 3.542 20 0 EHADLO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795833 1017632469 /nfs/dbraw/zinc/63/24/69/1017632469.db2.gz CZQLAXNQQJFYMG-DLBZAZTESA-N 1 2 328.460 3.547 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)s1 ZINC000892875661 1017633037 /nfs/dbraw/zinc/63/30/37/1017633037.db2.gz HVRRHFHTRSGWBL-UHFFFAOYSA-N 1 2 347.484 3.720 20 0 EHADLO C[C@H]1CCN(c2ccc3cc(Cl)cnc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000892912550 1017701612 /nfs/dbraw/zinc/70/16/12/1017701612.db2.gz VFCGPTVJVXZIOA-WFASDCNBSA-N 1 2 327.819 3.567 20 0 EHADLO C[C@H]1CCN(c2cc(Cl)nc(C3CCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000892910555 1017705913 /nfs/dbraw/zinc/70/59/13/1017705913.db2.gz FDTRDJPPMDCJRU-GXTWGEPZSA-N 1 2 331.851 3.682 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)c1ccon1 ZINC000349240570 1017725824 /nfs/dbraw/zinc/72/58/24/1017725824.db2.gz MOBXSWAUKVAWBC-BDAKNGLRSA-N 1 2 328.199 3.659 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000340423587 1017730585 /nfs/dbraw/zinc/73/05/85/1017730585.db2.gz GCRBPFYCFBRPDI-WDEREUQCSA-N 1 2 336.233 3.660 20 0 EHADLO FC(F)(F)Oc1cccc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000377400484 1017758125 /nfs/dbraw/zinc/75/81/25/1017758125.db2.gz PKHCFRXSCCZKRB-UHFFFAOYSA-N 1 2 326.318 3.742 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000449526999 1032727788 /nfs/dbraw/zinc/72/77/88/1032727788.db2.gz YPOAZYHHZRUKTN-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000449526999 1032727805 /nfs/dbraw/zinc/72/78/05/1032727805.db2.gz YPOAZYHHZRUKTN-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000046944230 1017842610 /nfs/dbraw/zinc/84/26/10/1017842610.db2.gz UERWUMSGKUNFOS-HNNXBMFYSA-N 1 2 344.484 3.664 20 0 EHADLO CCC[N@H+](CC(=O)OCC)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000511526065 1017989527 /nfs/dbraw/zinc/98/95/27/1017989527.db2.gz YPYOJSBJMQOXRD-UHFFFAOYSA-N 1 2 335.835 3.505 20 0 EHADLO CCC[N@@H+](CC(=O)OCC)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000511526065 1017989539 /nfs/dbraw/zinc/98/95/39/1017989539.db2.gz YPYOJSBJMQOXRD-UHFFFAOYSA-N 1 2 335.835 3.505 20 0 EHADLO c1nnn(-c2ccccc2)c1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000377567596 1018000288 /nfs/dbraw/zinc/00/02/88/1018000288.db2.gz QADZPBYPUVDQHY-OAQYLSRUSA-N 1 2 341.418 3.542 20 0 EHADLO Cc1ccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1F ZINC000377593494 1018026116 /nfs/dbraw/zinc/02/61/16/1018026116.db2.gz PNIAZPLCSYJUMZ-HNNXBMFYSA-N 1 2 338.386 3.963 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1ncn(CC(F)(F)F)c1=S)c1ccccc1 ZINC000066795394 1018074442 /nfs/dbraw/zinc/07/44/42/1018074442.db2.gz LVKBKBWBVILHIT-LBPRGKRZSA-N 1 2 344.406 3.669 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1ncn(CC(F)(F)F)c1=S)c1ccccc1 ZINC000066795394 1018074452 /nfs/dbraw/zinc/07/44/52/1018074452.db2.gz LVKBKBWBVILHIT-LBPRGKRZSA-N 1 2 344.406 3.669 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C)c(C)c2Cl)c1C ZINC000783044535 1018121354 /nfs/dbraw/zinc/12/13/54/1018121354.db2.gz RZYVDHNEDQXVMY-UHFFFAOYSA-N 1 2 332.831 3.907 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(Br)ccc(Cl)c2F)[nH]n1 ZINC000893028569 1018211778 /nfs/dbraw/zinc/21/17/78/1018211778.db2.gz MBNDZCNDYJRBKS-UHFFFAOYSA-N 1 2 332.604 3.563 20 0 EHADLO CC(C)(CCCc1ccccc1)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340531051 1018242674 /nfs/dbraw/zinc/24/26/74/1018242674.db2.gz IUHMOICDLVJBTG-LJQANCHMSA-N 1 2 349.482 3.928 20 0 EHADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2ccco2)c1 ZINC000460651937 1018258828 /nfs/dbraw/zinc/25/88/28/1018258828.db2.gz CMVIIQJGBVALQC-UHFFFAOYSA-N 1 2 333.391 3.720 20 0 EHADLO OCC1(C(F)(F)F)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000932828360 1018320342 /nfs/dbraw/zinc/32/03/42/1018320342.db2.gz LSQWUNMKDBXXOH-UHFFFAOYSA-N 1 2 325.733 3.616 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656051000 1018379106 /nfs/dbraw/zinc/37/91/06/1018379106.db2.gz KCXIAUPJDOFEMJ-CGTJXYLNSA-N 1 2 334.423 3.809 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccn2cc[nH+]c2c1)CC3 ZINC000377808319 1018392719 /nfs/dbraw/zinc/39/27/19/1018392719.db2.gz XNQYOILXRHBCNL-UHFFFAOYSA-N 1 2 345.406 3.714 20 0 EHADLO COC(=O)c1occc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593112703 1032761693 /nfs/dbraw/zinc/76/16/93/1032761693.db2.gz TVAFPAUASZVNHG-UHFFFAOYSA-N 1 2 339.313 3.864 20 0 EHADLO CCn1cc(N(Cc2c[nH+]cn2Cc2ccccc2)CC(C)C)cn1 ZINC000584538437 1018427028 /nfs/dbraw/zinc/42/70/28/1018427028.db2.gz QCBUWGYUUWQQJQ-UHFFFAOYSA-N 1 2 337.471 3.810 20 0 EHADLO FC(F)(F)COc1cc(NCc2ccc(-c3cc[nH]n3)o2)cc[nH+]1 ZINC000340557111 1018432175 /nfs/dbraw/zinc/43/21/75/1018432175.db2.gz KQSGNVMGZNNLEW-UHFFFAOYSA-N 1 2 338.289 3.618 20 0 EHADLO CCCOCc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582248 1032767953 /nfs/dbraw/zinc/76/79/53/1032767953.db2.gz IJNXMHNJMHTDDS-UHFFFAOYSA-N 1 2 338.411 3.583 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000606581925 1032768714 /nfs/dbraw/zinc/76/87/14/1032768714.db2.gz WRCIHNZDMFGUCE-AWEZNQCLSA-N 1 2 342.399 3.832 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340576936 1018566261 /nfs/dbraw/zinc/56/62/61/1018566261.db2.gz DVKSTQXNAYAWNN-OAHLLOKOSA-N 1 2 337.398 3.904 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000659875600 1018606594 /nfs/dbraw/zinc/60/65/94/1018606594.db2.gz OGSMXRXGWZVLOF-GJZGRUSLSA-N 1 2 349.381 3.688 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000659875600 1018606602 /nfs/dbraw/zinc/60/66/02/1018606602.db2.gz OGSMXRXGWZVLOF-GJZGRUSLSA-N 1 2 349.381 3.688 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)c1 ZINC000580090717 1018624450 /nfs/dbraw/zinc/62/44/50/1018624450.db2.gz XFCGVDPKGDIZMQ-CYBMUJFWSA-N 1 2 347.821 3.611 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)c1 ZINC000580090717 1018624460 /nfs/dbraw/zinc/62/44/60/1018624460.db2.gz XFCGVDPKGDIZMQ-CYBMUJFWSA-N 1 2 347.821 3.611 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cscn2)cc1Br ZINC000580105926 1018653642 /nfs/dbraw/zinc/65/36/42/1018653642.db2.gz BOBFLVUTTBBLBP-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4cccc(C)c4)C3)ccc2[nH+]1 ZINC000580124230 1018676723 /nfs/dbraw/zinc/67/67/23/1018676723.db2.gz YMXZDHJUXJZWRW-QGZVFWFLSA-N 1 2 334.423 3.973 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000126245601 1018740392 /nfs/dbraw/zinc/74/03/92/1018740392.db2.gz TZFRRECIOWKMIM-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000126245601 1018740404 /nfs/dbraw/zinc/74/04/04/1018740404.db2.gz TZFRRECIOWKMIM-AWEZNQCLSA-N 1 2 331.489 3.575 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683829358 1018742004 /nfs/dbraw/zinc/74/20/04/1018742004.db2.gz ATQSYFURHGAPSM-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000052279819 1018781599 /nfs/dbraw/zinc/78/15/99/1018781599.db2.gz XJKORNGTMVXFDU-LBPRGKRZSA-N 1 2 339.277 3.898 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)n1 ZINC000419356300 1018811748 /nfs/dbraw/zinc/81/17/48/1018811748.db2.gz SRWRIZYMWQVZSL-UHFFFAOYSA-N 1 2 333.398 3.788 20 0 EHADLO Fc1ccc2c(c1)[C@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)C2 ZINC000685311209 1032787816 /nfs/dbraw/zinc/78/78/16/1032787816.db2.gz ZANKSWTZEHFJDL-QGZVFWFLSA-N 1 2 332.338 3.749 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000476056565 1032796485 /nfs/dbraw/zinc/79/64/85/1032796485.db2.gz SKZIFFLMYLMWQO-NDGTYSDOSA-N 1 2 347.409 3.803 20 0 EHADLO CCOC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000166707961 1018929817 /nfs/dbraw/zinc/92/98/17/1018929817.db2.gz YIUCMFBSPDQESQ-UHFFFAOYSA-N 1 2 331.243 3.704 20 0 EHADLO Cc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c2ccccc12 ZINC000927764082 1018931997 /nfs/dbraw/zinc/93/19/97/1018931997.db2.gz RNMXGLLZNXGAJV-UHFFFAOYSA-N 1 2 339.464 3.596 20 0 EHADLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc(F)c(F)c1 ZINC000052518620 1018974893 /nfs/dbraw/zinc/97/48/93/1018974893.db2.gz JNGOXRDECOCFMZ-UHFFFAOYSA-N 1 2 344.405 3.592 20 0 EHADLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc(F)c(F)c1 ZINC000052518620 1018974919 /nfs/dbraw/zinc/97/49/19/1018974919.db2.gz JNGOXRDECOCFMZ-UHFFFAOYSA-N 1 2 344.405 3.592 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC[C@@H]1c1ccco1)C2 ZINC000476069094 1032803856 /nfs/dbraw/zinc/80/38/56/1032803856.db2.gz CQNQQAPITWAJHJ-WMLDXEAASA-N 1 2 341.455 3.985 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC[C@@H]1c1ccco1)CC2 ZINC000476069094 1032803873 /nfs/dbraw/zinc/80/38/73/1032803873.db2.gz CQNQQAPITWAJHJ-WMLDXEAASA-N 1 2 341.455 3.985 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510321665 1019091585 /nfs/dbraw/zinc/09/15/85/1019091585.db2.gz IJTLOXFSPVVNMG-XYJFISCASA-N 1 2 344.503 3.564 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)s1 ZINC000894187839 1019097569 /nfs/dbraw/zinc/09/75/69/1019097569.db2.gz OAXSNJIGNUIMOB-GFCCVEGCSA-N 1 2 334.441 3.634 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000449562207 1032814036 /nfs/dbraw/zinc/81/40/36/1032814036.db2.gz HXKKQCFJZHDQIL-OAHLLOKOSA-N 1 2 336.439 3.824 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cc4ccccc4[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000683922306 1019253760 /nfs/dbraw/zinc/25/37/60/1019253760.db2.gz BLSIJNVVHXAHMK-GASCZTMLSA-N 1 2 336.439 3.789 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)/C=C\c3cncc(F)c3)c2)[nH+]c1C ZINC000729338300 1019300526 /nfs/dbraw/zinc/30/05/26/1019300526.db2.gz CSPGGZMHRQHQPO-SREVYHEPSA-N 1 2 336.370 3.880 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000580447628 1019380894 /nfs/dbraw/zinc/38/08/94/1019380894.db2.gz NBPMBCBZALJLLD-ZBEGNZNMSA-N 1 2 337.826 3.894 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000580447628 1019380905 /nfs/dbraw/zinc/38/09/05/1019380905.db2.gz NBPMBCBZALJLLD-ZBEGNZNMSA-N 1 2 337.826 3.894 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449572665 1032828685 /nfs/dbraw/zinc/82/86/85/1032828685.db2.gz NUFJXCBBGJQCOR-KZULUSFZSA-N 1 2 339.418 3.620 20 0 EHADLO O=C(Nc1ccc(F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000013755374 1019435450 /nfs/dbraw/zinc/43/54/50/1019435450.db2.gz VKJMTDRGVCGQAB-DAXSKMNVSA-N 1 2 339.414 3.689 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000580501137 1019500390 /nfs/dbraw/zinc/50/03/90/1019500390.db2.gz PVFFUSTWLVBGIC-AEFFLSMTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000580501137 1019500406 /nfs/dbraw/zinc/50/04/06/1019500406.db2.gz PVFFUSTWLVBGIC-AEFFLSMTSA-N 1 2 348.874 3.620 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Sc3ccccn3)o2)C[C@H](C2CC2)O1 ZINC000513342143 1019562028 /nfs/dbraw/zinc/56/20/28/1019562028.db2.gz BZSRDWHXSJVADF-CZUORRHYSA-N 1 2 330.453 3.825 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Sc3ccccn3)o2)C[C@H](C2CC2)O1 ZINC000513342143 1019562035 /nfs/dbraw/zinc/56/20/35/1019562035.db2.gz BZSRDWHXSJVADF-CZUORRHYSA-N 1 2 330.453 3.825 20 0 EHADLO Fc1cccc2c1ncnc2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000433749173 1019575904 /nfs/dbraw/zinc/57/59/04/1019575904.db2.gz DCIGEJJLRRMDPU-UHFFFAOYSA-N 1 2 339.418 3.662 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)ccc1F ZINC000433772774 1019588379 /nfs/dbraw/zinc/58/83/79/1019588379.db2.gz FARFXZCZAAVKMG-CYBMUJFWSA-N 1 2 332.448 3.650 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)ccc1F ZINC000433772774 1019588389 /nfs/dbraw/zinc/58/83/89/1019588389.db2.gz FARFXZCZAAVKMG-CYBMUJFWSA-N 1 2 332.448 3.650 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000606802609 1032838017 /nfs/dbraw/zinc/83/80/17/1032838017.db2.gz NDUPMVHMVUVXCA-KRWDZBQOSA-N 1 2 329.444 3.963 20 0 EHADLO COc1ccc2oc([C@H](C)Nc3[nH+]c(C)nc4[nH]ccc43)c(C)c2c1 ZINC000433786522 1019618971 /nfs/dbraw/zinc/61/89/71/1019618971.db2.gz NWEPNKYEKZHXSF-NSHDSACASA-N 1 2 336.395 3.925 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000433823363 1019662818 /nfs/dbraw/zinc/66/28/18/1019662818.db2.gz WROOBCUSLCLOQK-DOMZBBRYSA-N 1 2 345.409 3.863 20 0 EHADLO C[C@H]1C[C@@H](Nc2cc[nH+]c3c(Br)cccc23)c2ncnn21 ZINC000664188296 1019705977 /nfs/dbraw/zinc/70/59/77/1019705977.db2.gz UIKNHVKTMDFNQD-TVQRCGJNSA-N 1 2 344.216 3.707 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000340734700 1019748055 /nfs/dbraw/zinc/74/80/55/1019748055.db2.gz GJWMKJVMCYWANX-IBGZPJMESA-N 1 2 348.450 3.693 20 0 EHADLO COc1ccc(OCc2ccccn2)c(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000656265831 1019783898 /nfs/dbraw/zinc/78/38/98/1019783898.db2.gz KMNGZTZAWOYSLI-UHFFFAOYSA-N 1 2 346.377 3.510 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000122966576 1019785767 /nfs/dbraw/zinc/78/57/67/1019785767.db2.gz VJCLDZGTUXQWNY-YJBOKZPZSA-N 1 2 341.430 3.554 20 0 EHADLO FC(F)(F)c1ccc(-n2cc(C[NH+]3CC4(CC4(F)F)C3)cn2)cc1 ZINC000656265319 1019788227 /nfs/dbraw/zinc/78/82/27/1019788227.db2.gz ITYIFUSDDNTYHG-UHFFFAOYSA-N 1 2 343.299 3.732 20 0 EHADLO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1F)CC2 ZINC001167429738 1019832914 /nfs/dbraw/zinc/83/29/14/1019832914.db2.gz NDWLTNFHUZULQN-LBPRGKRZSA-N 1 2 346.229 3.908 20 0 EHADLO CCOC(=O)c1coc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449589855 1032857923 /nfs/dbraw/zinc/85/79/23/1032857923.db2.gz UBNGSGAKQOLTEM-CYBMUJFWSA-N 1 2 339.313 3.651 20 0 EHADLO Cc1ccc(C)c([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000471614391 1019919411 /nfs/dbraw/zinc/91/94/11/1019919411.db2.gz UMKBRHHBCXHZTG-INIZCTEOSA-N 1 2 336.439 3.851 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](CC)Nc1ccccc1 ZINC000430502203 1019941251 /nfs/dbraw/zinc/94/12/51/1019941251.db2.gz BGFUNTFPWQQBJX-GOSISDBHSA-N 1 2 342.487 3.575 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000280011624 1019969086 /nfs/dbraw/zinc/96/90/86/1019969086.db2.gz WFQHRXOKDVDNBF-RCDICMHDSA-N 1 2 336.526 3.650 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc(Br)cn2)sc1C ZINC000280062178 1020018827 /nfs/dbraw/zinc/01/88/27/1020018827.db2.gz KLFMATXCNZIZMH-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@H]1C ZINC000345179261 1020029666 /nfs/dbraw/zinc/02/96/66/1020029666.db2.gz ZGUQWQBZBVEZAH-HOTGVXAUSA-N 1 2 344.480 3.639 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@H]1C ZINC000345179261 1020029672 /nfs/dbraw/zinc/02/96/72/1020029672.db2.gz ZGUQWQBZBVEZAH-HOTGVXAUSA-N 1 2 344.480 3.639 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728306629 1020033667 /nfs/dbraw/zinc/03/36/67/1020033667.db2.gz IXMSDQLLUVTDBQ-JKSUJKDBSA-N 1 2 333.476 3.865 20 0 EHADLO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2csnn2)cc1 ZINC000580805823 1020038778 /nfs/dbraw/zinc/03/87/78/1020038778.db2.gz IYPXJUTUERIHTM-GOSISDBHSA-N 1 2 325.437 3.620 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000280187285 1020150017 /nfs/dbraw/zinc/15/00/17/1020150017.db2.gz UREGIJQTLDTWEN-DGWIIEBVSA-N 1 2 342.483 3.670 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000280212851 1020183598 /nfs/dbraw/zinc/18/35/98/1020183598.db2.gz RGOJVURHGHFPEY-ZHALLVOQSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1noc2c1CCCCC2 ZINC000280218445 1020190773 /nfs/dbraw/zinc/19/07/73/1020190773.db2.gz NOUJAZUOVJSBCT-UHFFFAOYSA-N 1 2 336.395 3.894 20 0 EHADLO CC1(C)CC[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345411374 1020228653 /nfs/dbraw/zinc/22/86/53/1020228653.db2.gz JDBNKAZUKTWNGO-MRXNPFEDSA-N 1 2 329.488 3.752 20 0 EHADLO O=C(C[C@@H]1CCCc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345453363 1020267239 /nfs/dbraw/zinc/26/72/39/1020267239.db2.gz SLAUYVKLXODZAI-PKOBYXMFSA-N 1 2 336.435 3.572 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606934883 1032887947 /nfs/dbraw/zinc/88/79/47/1032887947.db2.gz CECSHWLIKDSXIE-SOUVJXGZSA-N 1 2 334.891 3.876 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606934883 1032887965 /nfs/dbraw/zinc/88/79/65/1032887965.db2.gz CECSHWLIKDSXIE-SOUVJXGZSA-N 1 2 334.891 3.876 20 0 EHADLO O=C(CCC1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345479100 1020291039 /nfs/dbraw/zinc/29/10/39/1020291039.db2.gz GQUSBSFKPATHLJ-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000581008181 1020353774 /nfs/dbraw/zinc/35/37/74/1020353774.db2.gz BFDBAMOHYKZWQE-IBGZPJMESA-N 1 2 330.859 3.968 20 0 EHADLO Cc1cnc(CC[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000581008181 1020353790 /nfs/dbraw/zinc/35/37/90/1020353790.db2.gz BFDBAMOHYKZWQE-IBGZPJMESA-N 1 2 330.859 3.968 20 0 EHADLO Cc1ccc(CCc2nc(Cc3cn4cccc(C)c4[nH+]3)no2)s1 ZINC000581041643 1020375286 /nfs/dbraw/zinc/37/52/86/1020375286.db2.gz DKHAIWHHYNRLQL-UHFFFAOYSA-N 1 2 338.436 3.772 20 0 EHADLO CC1(C)CC[C@@H]2C[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)c3cccc1c32 ZINC000345593905 1020380547 /nfs/dbraw/zinc/38/05/47/1020380547.db2.gz UPHNAXZPBXVQFM-ZRGWGRIASA-N 1 2 349.478 3.862 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000345630516 1020404317 /nfs/dbraw/zinc/40/43/17/1020404317.db2.gz NXVQMKPLQXCMRH-WMLDXEAASA-N 1 2 325.456 3.906 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000345656478 1020430783 /nfs/dbraw/zinc/43/07/83/1020430783.db2.gz KSUUTEBQYFIZLN-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO O[C@H](C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC000093766330 1032903144 /nfs/dbraw/zinc/90/31/44/1032903144.db2.gz VFBCVFWZDBSKKU-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2c(F)cccc2F)CC1)n1cc[nH+]c1 ZINC000581195555 1020513656 /nfs/dbraw/zinc/51/36/56/1020513656.db2.gz PHLJXBRNZSTWPB-ZDUSSCGKSA-N 1 2 333.382 3.519 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1Br ZINC000581199268 1020517146 /nfs/dbraw/zinc/51/71/46/1020517146.db2.gz GLMPXLSAQLSBLP-NSHDSACASA-N 1 2 336.233 3.606 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1Br ZINC000581199268 1020517155 /nfs/dbraw/zinc/51/71/55/1020517155.db2.gz GLMPXLSAQLSBLP-NSHDSACASA-N 1 2 336.233 3.606 20 0 EHADLO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000358114898 1032908995 /nfs/dbraw/zinc/90/89/95/1032908995.db2.gz HAQRBIRSTHEORC-INIZCTEOSA-N 1 2 348.450 3.990 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000280633003 1020541672 /nfs/dbraw/zinc/54/16/72/1020541672.db2.gz QPZFSRZUKKBGJX-CYBMUJFWSA-N 1 2 331.847 3.758 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccccc1Cl ZINC000160821921 1020586364 /nfs/dbraw/zinc/58/63/64/1020586364.db2.gz NDJQAHGTDOBCHD-UHFFFAOYSA-N 1 2 335.831 3.963 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1ccccc1Cl ZINC000160821921 1020586369 /nfs/dbraw/zinc/58/63/69/1020586369.db2.gz NDJQAHGTDOBCHD-UHFFFAOYSA-N 1 2 335.831 3.963 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193406871 1032915793 /nfs/dbraw/zinc/91/57/93/1032915793.db2.gz CUAUUUMLGPEZFV-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)c(C)c1OC ZINC000340939801 1020656220 /nfs/dbraw/zinc/65/62/20/1020656220.db2.gz NSMOIFUXTFJJQG-CYBMUJFWSA-N 1 2 327.428 3.583 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000276148063 1020734977 /nfs/dbraw/zinc/73/49/77/1020734977.db2.gz BREACCWGNSGYBO-OAHLLOKOSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000276148063 1020734981 /nfs/dbraw/zinc/73/49/81/1020734981.db2.gz BREACCWGNSGYBO-OAHLLOKOSA-N 1 2 343.450 3.766 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210418 1020754998 /nfs/dbraw/zinc/75/49/98/1020754998.db2.gz YFDDBPFAKOYPHJ-NHYWBVRUSA-N 1 2 327.325 3.784 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210418 1020755008 /nfs/dbraw/zinc/75/50/08/1020755008.db2.gz YFDDBPFAKOYPHJ-NHYWBVRUSA-N 1 2 327.325 3.784 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCOc3c(Br)cccc3C2)C1 ZINC000656505275 1020762396 /nfs/dbraw/zinc/76/23/96/1020762396.db2.gz MFSXQSPNMSNTHZ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO CC(C)OC1CC([N@H+]2CCOc3c(Br)cccc3C2)C1 ZINC000656505275 1020762405 /nfs/dbraw/zinc/76/24/05/1020762405.db2.gz MFSXQSPNMSNTHZ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000363444628 1020767726 /nfs/dbraw/zinc/76/77/26/1020767726.db2.gz VEABAURMLRBQGH-CYBMUJFWSA-N 1 2 349.887 3.572 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1cccnc1 ZINC000156193661 1020839747 /nfs/dbraw/zinc/83/97/47/1020839747.db2.gz PCTXQKIZLOJTCN-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1cccnc1 ZINC000156193661 1020839752 /nfs/dbraw/zinc/83/97/52/1020839752.db2.gz PCTXQKIZLOJTCN-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)CCS2 ZINC000276202825 1020894358 /nfs/dbraw/zinc/89/43/58/1020894358.db2.gz YXZPRWCKORYYAC-SMDDNHRTSA-N 1 2 332.473 3.824 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)n1C ZINC000341058502 1020943929 /nfs/dbraw/zinc/94/39/29/1020943929.db2.gz VRODHHWZDYEHCO-FQEVSTJZSA-N 1 2 335.451 3.776 20 0 EHADLO Cc1c[nH+]c(CN[C@@H](COCc2ccccc2)c2ccccc2)n1C ZINC000341058502 1020943936 /nfs/dbraw/zinc/94/39/36/1020943936.db2.gz VRODHHWZDYEHCO-FQEVSTJZSA-N 1 2 335.451 3.776 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(CC)o2)cc1OCC ZINC000341068073 1020949888 /nfs/dbraw/zinc/94/98/88/1020949888.db2.gz BCHMTXRUHMKPDW-QWHCGFSZSA-N 1 2 333.432 3.841 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000276235968 1020953136 /nfs/dbraw/zinc/95/31/36/1020953136.db2.gz LGFOBXQZHFPBQB-AWEZNQCLSA-N 1 2 344.377 3.605 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000276235968 1020953142 /nfs/dbraw/zinc/95/31/42/1020953142.db2.gz LGFOBXQZHFPBQB-AWEZNQCLSA-N 1 2 344.377 3.605 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341115047 1020990388 /nfs/dbraw/zinc/99/03/88/1020990388.db2.gz HPCYNVUDNGVOLI-INIZCTEOSA-N 1 2 340.448 3.630 20 0 EHADLO Cc1cc2c(s1)N(c1ncnn3cccc13)c1ccccc1NC2=[NH2+] ZINC001167469746 1021079319 /nfs/dbraw/zinc/07/93/19/1021079319.db2.gz WZPHTUUGAZMGIX-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000341209949 1021103266 /nfs/dbraw/zinc/10/32/66/1021103266.db2.gz HLGFKFZCZZTKDH-SNVBAGLBSA-N 1 2 343.301 3.816 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1)c1cc2ccccc2o1 ZINC000656682182 1021163921 /nfs/dbraw/zinc/16/39/21/1021163921.db2.gz QUUNWGWFEUEMOY-AVGNSLFASA-N 1 2 343.452 3.806 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnccn2)ccc1Br ZINC000573211018 1021173525 /nfs/dbraw/zinc/17/35/25/1021173525.db2.gz ZDOLJRSXSNFYEV-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnccn2)ccc1Br ZINC000573211018 1021173532 /nfs/dbraw/zinc/17/35/32/1021173532.db2.gz ZDOLJRSXSNFYEV-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000426302144 1021219401 /nfs/dbraw/zinc/21/94/01/1021219401.db2.gz QKWYTJCEIKYULB-UHFFFAOYSA-N 1 2 325.456 3.540 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867258 1021221444 /nfs/dbraw/zinc/22/14/44/1021221444.db2.gz FMUUUYHQNIEGGA-CYBMUJFWSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867258 1021221452 /nfs/dbraw/zinc/22/14/52/1021221452.db2.gz FMUUUYHQNIEGGA-CYBMUJFWSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC=CC[C@H]3C)n2)C1 ZINC000507462165 1021277303 /nfs/dbraw/zinc/27/73/03/1021277303.db2.gz WZFQDNYGQJPNHH-IIAWOOMASA-N 1 2 333.501 3.916 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC=CC[C@H]3C)n2)C1 ZINC000507462165 1021277311 /nfs/dbraw/zinc/27/73/11/1021277311.db2.gz WZFQDNYGQJPNHH-IIAWOOMASA-N 1 2 333.501 3.916 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000341280075 1021282360 /nfs/dbraw/zinc/28/23/60/1021282360.db2.gz ITIGRMUZJVGMSL-AWEZNQCLSA-N 1 2 332.394 3.582 20 0 EHADLO CCc1nocc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507534224 1021323304 /nfs/dbraw/zinc/32/33/04/1021323304.db2.gz POAJSXPFCCZJGX-CVEARBPZSA-N 1 2 341.238 3.634 20 0 EHADLO CCc1nocc1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507534224 1021323320 /nfs/dbraw/zinc/32/33/20/1021323320.db2.gz POAJSXPFCCZJGX-CVEARBPZSA-N 1 2 341.238 3.634 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3ccc(CSC(F)F)o3)nc12 ZINC000076895332 1021327502 /nfs/dbraw/zinc/32/75/02/1021327502.db2.gz WWVVPPBBXQFABY-UHFFFAOYSA-N 1 2 337.395 3.981 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341299436 1021387767 /nfs/dbraw/zinc/38/77/67/1021387767.db2.gz DICIODPZZNKTRT-UHFFFAOYSA-N 1 2 337.423 3.962 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(SC3CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000341300619 1021389962 /nfs/dbraw/zinc/38/99/62/1021389962.db2.gz FTLZDHYSBFEHJP-KBXCAEBGSA-N 1 2 341.480 3.861 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cs1 ZINC000276451012 1021396417 /nfs/dbraw/zinc/39/64/17/1021396417.db2.gz ZPYPAGVOBYUXMQ-DGCLKSJQSA-N 1 2 336.505 3.961 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1c(F)cccc1F ZINC000341309568 1021398892 /nfs/dbraw/zinc/39/88/92/1021398892.db2.gz YBESALFNYPXAEK-SCLBCKFNSA-N 1 2 344.405 3.809 20 0 EHADLO CC(C)=CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c(O)co1 ZINC000439477791 1021472254 /nfs/dbraw/zinc/47/22/54/1021472254.db2.gz MIOKUCZVCSUTHW-UHFFFAOYSA-N 1 2 333.815 3.967 20 0 EHADLO CC(C)=CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c(O)co1 ZINC000439477791 1021472258 /nfs/dbraw/zinc/47/22/58/1021472258.db2.gz MIOKUCZVCSUTHW-UHFFFAOYSA-N 1 2 333.815 3.967 20 0 EHADLO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1ccon1 ZINC000684381571 1021493715 /nfs/dbraw/zinc/49/37/15/1021493715.db2.gz FUUANRCUKYVISN-UHFFFAOYSA-N 1 2 335.123 3.746 20 0 EHADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000581694962 1021535275 /nfs/dbraw/zinc/53/52/75/1021535275.db2.gz OJFAHXYDQQSKLF-AAEUAGOBSA-N 1 2 328.441 3.928 20 0 EHADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000581694962 1021535285 /nfs/dbraw/zinc/53/52/85/1021535285.db2.gz OJFAHXYDQQSKLF-AAEUAGOBSA-N 1 2 328.441 3.928 20 0 EHADLO Fc1cccc2c1OCC[C@H]2[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000437097169 1021549694 /nfs/dbraw/zinc/54/96/94/1021549694.db2.gz NNDOYZKHQSHXIM-RTBURBONSA-N 1 2 335.382 3.819 20 0 EHADLO COc1cc2c(cc1C[NH2+]C1(c3nc(C)cs3)CCC1)O[C@@H](C)C2 ZINC000518784323 1021571179 /nfs/dbraw/zinc/57/11/79/1021571179.db2.gz HZPQAERXFUGSNR-ZDUSSCGKSA-N 1 2 344.480 3.953 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)n1 ZINC000469454175 1021656225 /nfs/dbraw/zinc/65/62/25/1021656225.db2.gz HPOYMTXBMQJKND-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H](C2CC2)O1 ZINC000684411166 1021664020 /nfs/dbraw/zinc/66/40/20/1021664020.db2.gz CEJGQTYGHCEJEU-KUHUBIRLSA-N 1 2 345.874 3.584 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H](C2CC2)O1 ZINC000684411166 1021664025 /nfs/dbraw/zinc/66/40/25/1021664025.db2.gz CEJGQTYGHCEJEU-KUHUBIRLSA-N 1 2 345.874 3.584 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)sc1Cl ZINC000516710310 1021674498 /nfs/dbraw/zinc/67/44/98/1021674498.db2.gz ZGRFCBUHYLWNMN-NSHDSACASA-N 1 2 332.252 3.887 20 0 EHADLO COc1cccc([C@@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000439745251 1021675420 /nfs/dbraw/zinc/67/54/20/1021675420.db2.gz NLRXKJFXWCSJKE-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO COc1cccc([C@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000439745252 1021675534 /nfs/dbraw/zinc/67/55/34/1021675534.db2.gz NLRXKJFXWCSJKE-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)c(C)c[nH+]1 ZINC000519797243 1021683580 /nfs/dbraw/zinc/68/35/80/1021683580.db2.gz DKBVQXGPCBQYGN-UHFFFAOYSA-N 1 2 348.450 3.990 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000891481639 1021731935 /nfs/dbraw/zinc/73/19/35/1021731935.db2.gz HEFLMQPITBAZHY-UHFFFAOYSA-N 1 2 339.483 3.967 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000891481639 1021731953 /nfs/dbraw/zinc/73/19/53/1021731953.db2.gz HEFLMQPITBAZHY-UHFFFAOYSA-N 1 2 339.483 3.967 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(-c2ccccc2)cc1 ZINC000058843030 1032999893 /nfs/dbraw/zinc/99/98/93/1032999893.db2.gz URKMBLJEMKBMOV-UHFFFAOYSA-N 1 2 332.407 3.982 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)nc2ccccc12 ZINC000581767563 1021739936 /nfs/dbraw/zinc/73/99/36/1021739936.db2.gz PRAOULZFMZSUGJ-GOSISDBHSA-N 1 2 341.842 3.757 20 0 EHADLO Cc1nc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)nc2ccccc12 ZINC000581767563 1021739952 /nfs/dbraw/zinc/73/99/52/1021739952.db2.gz PRAOULZFMZSUGJ-GOSISDBHSA-N 1 2 341.842 3.757 20 0 EHADLO CC[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(OC)cc1OC ZINC000519906102 1021756239 /nfs/dbraw/zinc/75/62/39/1021756239.db2.gz IEHNSJWYZUTZEG-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO CC[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(OC)cc1OC ZINC000519906102 1021756254 /nfs/dbraw/zinc/75/62/54/1021756254.db2.gz IEHNSJWYZUTZEG-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO COCc1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)no1 ZINC000298213537 1021792317 /nfs/dbraw/zinc/79/23/17/1021792317.db2.gz ZJSBLPSWTVNHCU-UHFFFAOYSA-N 1 2 349.843 3.888 20 0 EHADLO O=C(NCCNc1cc[nH+]c2c(Cl)cccc12)c1ccccc1 ZINC000341417297 1021813871 /nfs/dbraw/zinc/81/38/71/1021813871.db2.gz KFEXCNZRDJSXOD-UHFFFAOYSA-N 1 2 325.799 3.730 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439926025 1021832795 /nfs/dbraw/zinc/83/27/95/1021832795.db2.gz HMXCSZASKSNWIX-CYBMUJFWSA-N 1 2 349.837 3.677 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000516924636 1021857007 /nfs/dbraw/zinc/85/70/07/1021857007.db2.gz USPJYZUKWRJHJE-GOSISDBHSA-N 1 2 334.822 3.799 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000516924636 1021857022 /nfs/dbraw/zinc/85/70/22/1021857022.db2.gz USPJYZUKWRJHJE-GOSISDBHSA-N 1 2 334.822 3.799 20 0 EHADLO CC(C)OCc1nc([C@@H](C)[NH2+]CCc2c(F)cccc2Cl)no1 ZINC000289925096 1021874008 /nfs/dbraw/zinc/87/40/08/1021874008.db2.gz OUDFKONOFUUHBT-LLVKDONJSA-N 1 2 341.814 3.680 20 0 EHADLO CC[N@H+](Cc1nc([C@H]2CCCc3cc(OC)ccc32)no1)C1CC1 ZINC000516942677 1021878270 /nfs/dbraw/zinc/87/82/70/1021878270.db2.gz BCANLUKCZZVUFC-KRWDZBQOSA-N 1 2 327.428 3.531 20 0 EHADLO CC[N@@H+](Cc1nc([C@H]2CCCc3cc(OC)ccc32)no1)C1CC1 ZINC000516942677 1021878284 /nfs/dbraw/zinc/87/82/84/1021878284.db2.gz BCANLUKCZZVUFC-KRWDZBQOSA-N 1 2 327.428 3.531 20 0 EHADLO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000440018209 1021892040 /nfs/dbraw/zinc/89/20/40/1021892040.db2.gz GHTMJVJBHZXFIH-CYBMUJFWSA-N 1 2 345.874 3.580 20 0 EHADLO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000440018209 1021892057 /nfs/dbraw/zinc/89/20/57/1021892057.db2.gz GHTMJVJBHZXFIH-CYBMUJFWSA-N 1 2 345.874 3.580 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000128615751 1033013937 /nfs/dbraw/zinc/01/39/37/1033013937.db2.gz IIWAOKLIADFHPP-HNNXBMFYSA-N 1 2 327.815 3.641 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000128615751 1033013945 /nfs/dbraw/zinc/01/39/45/1033013945.db2.gz IIWAOKLIADFHPP-HNNXBMFYSA-N 1 2 327.815 3.641 20 0 EHADLO FC(F)(F)c1cnc(CNC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000278774411 1033014078 /nfs/dbraw/zinc/01/40/78/1033014078.db2.gz YQAJUVTZLJAXJO-LLVKDONJSA-N 1 2 345.390 3.682 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000441006205 1021922942 /nfs/dbraw/zinc/92/29/42/1021922942.db2.gz GRMSOEIHNQJBQZ-QGZVFWFLSA-N 1 2 346.519 3.956 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000441010961 1021927180 /nfs/dbraw/zinc/92/71/80/1021927180.db2.gz PDYGBSLBBCCQDD-RDTXWAMCSA-N 1 2 336.426 3.750 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000441010961 1021927190 /nfs/dbraw/zinc/92/71/90/1021927190.db2.gz PDYGBSLBBCCQDD-RDTXWAMCSA-N 1 2 336.426 3.750 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)CCc2c[nH+]cn2C)s1 ZINC000276592122 1021932656 /nfs/dbraw/zinc/93/26/56/1021932656.db2.gz NCYKUOGYSPTRLI-UHFFFAOYSA-N 1 2 343.452 3.545 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccn(C)n1 ZINC000593723359 1033016941 /nfs/dbraw/zinc/01/69/41/1033016941.db2.gz MIVJJWVJFZSSSZ-QANKJYHBSA-N 1 2 341.455 3.641 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccn(C)n1 ZINC000593723356 1033017600 /nfs/dbraw/zinc/01/76/00/1033017600.db2.gz MIVJJWVJFZSSSZ-FDQGKXFDSA-N 1 2 341.455 3.641 20 0 EHADLO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000517033926 1021960008 /nfs/dbraw/zinc/96/00/08/1021960008.db2.gz PJNPODUEXLYPQO-LLVKDONJSA-N 1 2 349.456 3.619 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3c(c1)CCN3)C2 ZINC000713243220 1021972013 /nfs/dbraw/zinc/97/20/13/1021972013.db2.gz YEJMUNQLLOTQCU-UHFFFAOYSA-N 1 2 329.241 3.933 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3c(c1)CCN3)C2 ZINC000713243220 1021972022 /nfs/dbraw/zinc/97/20/22/1021972022.db2.gz YEJMUNQLLOTQCU-UHFFFAOYSA-N 1 2 329.241 3.933 20 0 EHADLO COc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)c(C(F)(F)F)c1 ZINC000341471390 1022011784 /nfs/dbraw/zinc/01/17/84/1022011784.db2.gz CSJSRSPWRNAKPS-UHFFFAOYSA-N 1 2 337.345 3.724 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3cccc(Cl)c3)CC2)c[nH+]1 ZINC000897627203 1033022557 /nfs/dbraw/zinc/02/25/57/1033022557.db2.gz IYFMKKIWZSBXFP-UHFFFAOYSA-N 1 2 345.874 3.986 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(OC)no2)c1 ZINC000925315959 1033024468 /nfs/dbraw/zinc/02/44/68/1033024468.db2.gz ULUZRVJEPDJUJI-CHWSQXEVSA-N 1 2 331.416 3.519 20 0 EHADLO Cc1cc(NCc2ccc(F)cc2Br)nc(C2CC2)[nH+]1 ZINC000341511684 1022050818 /nfs/dbraw/zinc/05/08/18/1022050818.db2.gz RQNXOIAMHIHUNR-UHFFFAOYSA-N 1 2 336.208 3.598 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](c2cccnc2)C1 ZINC000520223284 1022055197 /nfs/dbraw/zinc/05/51/97/1022055197.db2.gz UFGAYFZXNXGHAG-MRXNPFEDSA-N 1 2 347.418 3.800 20 0 EHADLO O=C1CCN1c1cccc(C[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000441219171 1022058440 /nfs/dbraw/zinc/05/84/40/1022058440.db2.gz VYEZVLBFPRIBDY-UHFFFAOYSA-N 1 2 349.459 3.837 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)[nH]1 ZINC000602640294 1033029555 /nfs/dbraw/zinc/02/95/55/1033029555.db2.gz MPPQOGTZNAJHKH-QMMMGPOBSA-N 1 2 347.362 3.518 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000506132766 1022148890 /nfs/dbraw/zinc/14/88/90/1022148890.db2.gz XEAJTHODGXNQTK-OAQYLSRUSA-N 1 2 346.430 3.880 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000506132766 1022148897 /nfs/dbraw/zinc/14/88/97/1022148897.db2.gz XEAJTHODGXNQTK-OAQYLSRUSA-N 1 2 346.430 3.880 20 0 EHADLO Cc1c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cnn1CC(C)C ZINC000581893450 1022165627 /nfs/dbraw/zinc/16/56/27/1022165627.db2.gz RPEBWMVBSJUQCM-QGZVFWFLSA-N 1 2 348.878 3.742 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000441331284 1022166630 /nfs/dbraw/zinc/16/66/30/1022166630.db2.gz NPMINSXTNMMJKQ-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Fc1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(F)cc1Cl ZINC000441367400 1022189444 /nfs/dbraw/zinc/18/94/44/1022189444.db2.gz HVAPAAFWUXLVLT-UHFFFAOYSA-N 1 2 325.668 3.650 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)o1 ZINC000471791179 1022216289 /nfs/dbraw/zinc/21/62/89/1022216289.db2.gz HUUJDQZTALLHLC-UHFFFAOYSA-N 1 2 347.484 3.848 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2c(O)cccc2F)cc1 ZINC000187753225 1022238100 /nfs/dbraw/zinc/23/81/00/1022238100.db2.gz MLWUIVZVCQMRQU-GFCCVEGCSA-N 1 2 339.370 3.516 20 0 EHADLO CC[N@H+](Cc1ncn(-c2ccccc2)n1)[C@H](C)Cc1ccsc1 ZINC000187798147 1022246718 /nfs/dbraw/zinc/24/67/18/1022246718.db2.gz ASJYCPWBZKLAQU-OAHLLOKOSA-N 1 2 326.469 3.782 20 0 EHADLO CC[N@@H+](Cc1ncn(-c2ccccc2)n1)[C@H](C)Cc1ccsc1 ZINC000187798147 1022246740 /nfs/dbraw/zinc/24/67/40/1022246740.db2.gz ASJYCPWBZKLAQU-OAHLLOKOSA-N 1 2 326.469 3.782 20 0 EHADLO Cc1csc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1 ZINC000118405161 1022247587 /nfs/dbraw/zinc/24/75/87/1022247587.db2.gz XJDCASOBMWELKL-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO Cc1csc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1 ZINC000118405161 1022247605 /nfs/dbraw/zinc/24/76/05/1022247605.db2.gz XJDCASOBMWELKL-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000506164338 1022267670 /nfs/dbraw/zinc/26/76/70/1022267670.db2.gz MPUPNSGJOIIEMT-UHFFFAOYSA-N 1 2 335.879 3.839 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000506164338 1022267680 /nfs/dbraw/zinc/26/76/80/1022267680.db2.gz MPUPNSGJOIIEMT-UHFFFAOYSA-N 1 2 335.879 3.839 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)n1 ZINC000894439847 1022284631 /nfs/dbraw/zinc/28/46/31/1022284631.db2.gz OBNLEAUKDQJZER-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)n1 ZINC000894439847 1022284639 /nfs/dbraw/zinc/28/46/39/1022284639.db2.gz OBNLEAUKDQJZER-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO CCCCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000458873196 1022315699 /nfs/dbraw/zinc/31/56/99/1022315699.db2.gz CDLNSNBYKUWXNE-UHFFFAOYSA-N 1 2 346.862 4.000 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607222972 1033047539 /nfs/dbraw/zinc/04/75/39/1033047539.db2.gz BXHOBWOCSRSHBH-INIZCTEOSA-N 1 2 340.427 3.541 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143405237 1022354634 /nfs/dbraw/zinc/35/46/34/1022354634.db2.gz WBUVMWPRIARDQO-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143405237 1022354646 /nfs/dbraw/zinc/35/46/46/1022354646.db2.gz WBUVMWPRIARDQO-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000090528324 1022355528 /nfs/dbraw/zinc/35/55/28/1022355528.db2.gz WACFOBVEMPNCEG-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000090528324 1022355541 /nfs/dbraw/zinc/35/55/41/1022355541.db2.gz WACFOBVEMPNCEG-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCc2ccccc2C1 ZINC000469587033 1022356257 /nfs/dbraw/zinc/35/62/57/1022356257.db2.gz NKRPHSHBZLQMDA-OAHLLOKOSA-N 1 2 325.460 3.688 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCCc2ccccc2C1 ZINC000469587033 1022356271 /nfs/dbraw/zinc/35/62/71/1022356271.db2.gz NKRPHSHBZLQMDA-OAHLLOKOSA-N 1 2 325.460 3.688 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cccnc2s1 ZINC000341574181 1022356776 /nfs/dbraw/zinc/35/67/76/1022356776.db2.gz GLTBBRAUXRAGNH-DAOPMYJZSA-N 1 2 345.493 3.622 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cccnc2s1 ZINC000341574181 1022356788 /nfs/dbraw/zinc/35/67/88/1022356788.db2.gz GLTBBRAUXRAGNH-DAOPMYJZSA-N 1 2 345.493 3.622 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(CSC)cc2)c1C ZINC000067349513 1022418430 /nfs/dbraw/zinc/41/84/30/1022418430.db2.gz UYFCKHQBOARGKI-UHFFFAOYSA-N 1 2 345.468 3.892 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(C3CCCCC3)s2)[nH]1 ZINC000657068679 1022455486 /nfs/dbraw/zinc/45/54/86/1022455486.db2.gz NCQPWCWHYKIIOC-UHFFFAOYSA-N 1 2 333.505 3.896 20 0 EHADLO c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]Cc1nnc2n1CCC2 ZINC000328663006 1022457505 /nfs/dbraw/zinc/45/75/05/1022457505.db2.gz BAFUZCMYOKEVDW-MRXNPFEDSA-N 1 2 338.455 3.541 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 ZINC000111273108 1022459919 /nfs/dbraw/zinc/45/99/19/1022459919.db2.gz MOQQGVQATOUMSD-JXFKEZNVSA-N 1 2 338.451 3.938 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 ZINC000111273108 1022459924 /nfs/dbraw/zinc/45/99/24/1022459924.db2.gz MOQQGVQATOUMSD-JXFKEZNVSA-N 1 2 338.451 3.938 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C[C@H]1n1cc[nH+]c1 ZINC000341594168 1022466937 /nfs/dbraw/zinc/46/69/37/1022466937.db2.gz XMJRVQINFITSMF-UONOGXRCSA-N 1 2 341.436 3.928 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc(F)c1 ZINC000119449345 1033056738 /nfs/dbraw/zinc/05/67/38/1033056738.db2.gz NMMNLEMLKIKFPX-HOTGVXAUSA-N 1 2 343.446 3.534 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H]1c1ccncc1 ZINC000664828550 1022498186 /nfs/dbraw/zinc/49/81/86/1022498186.db2.gz GQHOOMANASBZKM-IBGZPJMESA-N 1 2 346.434 3.827 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H](C)[S@]1=O ZINC000602661100 1033059314 /nfs/dbraw/zinc/05/93/14/1033059314.db2.gz IXSXDHJVNZOCGV-ZNVLZIIHSA-N 1 2 333.419 3.523 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H](C)[S@]1=O ZINC000602661100 1033059329 /nfs/dbraw/zinc/05/93/29/1033059329.db2.gz IXSXDHJVNZOCGV-ZNVLZIIHSA-N 1 2 333.419 3.523 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCOc3cccc(Cl)c3)CCO2)cc1 ZINC000058576401 1022518004 /nfs/dbraw/zinc/51/80/04/1022518004.db2.gz DAXNYIBMKAJUEP-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCOc3cccc(Cl)c3)CCO2)cc1 ZINC000058576401 1022518012 /nfs/dbraw/zinc/51/80/12/1022518012.db2.gz DAXNYIBMKAJUEP-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)no1 ZINC000894557026 1022530650 /nfs/dbraw/zinc/53/06/50/1022530650.db2.gz RTKPTYDDBPPPCF-BFHYXJOUSA-N 1 2 339.480 3.627 20 0 EHADLO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349568907 1022536487 /nfs/dbraw/zinc/53/64/87/1022536487.db2.gz NGYKLSBNAVJPFQ-UHFFFAOYSA-N 1 2 340.876 3.810 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000581966851 1022568895 /nfs/dbraw/zinc/56/88/95/1022568895.db2.gz TUIFKMMZZCMLAM-MRXNPFEDSA-N 1 2 340.471 3.509 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000581966850 1022569473 /nfs/dbraw/zinc/56/94/73/1022569473.db2.gz TUIFKMMZZCMLAM-INIZCTEOSA-N 1 2 340.471 3.509 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000528899937 1033065623 /nfs/dbraw/zinc/06/56/23/1033065623.db2.gz CCAOPKZXUQNAMG-SFHVURJKSA-N 1 2 339.439 3.746 20 0 EHADLO CCCCC1CCC(CNC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000425986583 1022580243 /nfs/dbraw/zinc/58/02/43/1022580243.db2.gz FGCDCXHNVIJAHD-UHFFFAOYSA-N 1 2 334.508 3.911 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc2ocnc21)c1cccc(Cl)c1 ZINC000341621660 1022588716 /nfs/dbraw/zinc/58/87/16/1022588716.db2.gz QQJGWFVGDROBNV-MRXNPFEDSA-N 1 2 329.787 3.723 20 0 EHADLO CC(C)(Cc1ccccc1Cl)NC(=O)NCCCCn1cc[nH+]c1 ZINC000517740882 1022613037 /nfs/dbraw/zinc/61/30/37/1022613037.db2.gz AHVRNMUQUOAPAE-UHFFFAOYSA-N 1 2 348.878 3.637 20 0 EHADLO CN(CCC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000510515064 1022628356 /nfs/dbraw/zinc/62/83/56/1022628356.db2.gz PKHUPFHEZHXFLI-UHFFFAOYSA-N 1 2 340.471 3.984 20 0 EHADLO CC(C)[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003920 1022632452 /nfs/dbraw/zinc/63/24/52/1022632452.db2.gz NXDNGUWZCMMQHX-OWLYRPNTSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003920 1022632460 /nfs/dbraw/zinc/63/24/60/1022632460.db2.gz NXDNGUWZCMMQHX-OWLYRPNTSA-N 1 2 341.455 3.791 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664836389 1022657404 /nfs/dbraw/zinc/65/74/04/1022657404.db2.gz JOQPRZSOCJWPBE-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664836389 1022657410 /nfs/dbraw/zinc/65/74/10/1022657410.db2.gz JOQPRZSOCJWPBE-LPHOPBHVSA-N 1 2 337.467 3.906 20 0 EHADLO CCc1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517799400 1022687758 /nfs/dbraw/zinc/68/77/58/1022687758.db2.gz DUUILBQDYZPFFB-UHFFFAOYSA-N 1 2 325.456 3.585 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000438478558 1022700335 /nfs/dbraw/zinc/70/03/35/1022700335.db2.gz MVNNEXMPMSXSJU-HNNXBMFYSA-N 1 2 348.450 3.744 20 0 EHADLO CCOc1cc(F)c(C[NH+]2CCC(Oc3ccccn3)CC2)c(F)c1 ZINC001143575195 1022758428 /nfs/dbraw/zinc/75/84/28/1022758428.db2.gz RMLJTJUCIXWYAP-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000933708572 1022777198 /nfs/dbraw/zinc/77/71/98/1022777198.db2.gz OKLIHZZZOQHBBB-UHFFFAOYSA-N 1 2 342.430 3.687 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000933708572 1022777210 /nfs/dbraw/zinc/77/72/10/1022777210.db2.gz OKLIHZZZOQHBBB-UHFFFAOYSA-N 1 2 342.430 3.687 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(C1)CCCC2 ZINC000426060717 1022791466 /nfs/dbraw/zinc/79/14/66/1022791466.db2.gz IIYSLFJQSFERIY-UHFFFAOYSA-N 1 2 334.489 3.537 20 0 EHADLO CCCCc1noc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000430914200 1022865464 /nfs/dbraw/zinc/86/54/64/1022865464.db2.gz IHMGNEMLAHTJNL-SFHVURJKSA-N 1 2 343.471 3.636 20 0 EHADLO CCCCc1noc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000430914200 1022865484 /nfs/dbraw/zinc/86/54/84/1022865484.db2.gz IHMGNEMLAHTJNL-SFHVURJKSA-N 1 2 343.471 3.636 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1cccc(F)c1 ZINC000293609294 1022874842 /nfs/dbraw/zinc/87/48/42/1022874842.db2.gz GLSIMIXEXDEUCY-HNNXBMFYSA-N 1 2 330.432 3.662 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1F ZINC000519575797 1022885641 /nfs/dbraw/zinc/88/56/41/1022885641.db2.gz NQOCWGODWKVYMI-IBGZPJMESA-N 1 2 339.414 3.837 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000366711185 1022890624 /nfs/dbraw/zinc/89/06/24/1022890624.db2.gz GERUUJZTILOWMM-JKSUJKDBSA-N 1 2 344.846 3.508 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000366711185 1022890647 /nfs/dbraw/zinc/89/06/47/1022890647.db2.gz GERUUJZTILOWMM-JKSUJKDBSA-N 1 2 344.846 3.508 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCCC4)n2)C1 ZINC000426106282 1022904009 /nfs/dbraw/zinc/90/40/09/1022904009.db2.gz ZGSBANOSZZUBNW-AWEZNQCLSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCCC4)n2)C1 ZINC000426106282 1022904020 /nfs/dbraw/zinc/90/40/20/1022904020.db2.gz ZGSBANOSZZUBNW-AWEZNQCLSA-N 1 2 348.516 3.783 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1)CSCC2 ZINC000894784149 1022910276 /nfs/dbraw/zinc/91/02/76/1022910276.db2.gz FLFDMJJSTRRHPQ-MRXNPFEDSA-N 1 2 333.526 3.854 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CC(C)(C)[C@H]1c1cccs1)CSCC2 ZINC000894784149 1022910287 /nfs/dbraw/zinc/91/02/87/1022910287.db2.gz FLFDMJJSTRRHPQ-MRXNPFEDSA-N 1 2 333.526 3.854 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000607342203 1033091523 /nfs/dbraw/zinc/09/15/23/1033091523.db2.gz OLDSURPTQDCOSB-UHFFFAOYSA-N 1 2 327.453 3.639 20 0 EHADLO COC[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000520463067 1022965561 /nfs/dbraw/zinc/96/55/61/1022965561.db2.gz OVUSCDAVGDEXNA-OALUTQOASA-N 1 2 332.875 3.920 20 0 EHADLO CC(C)c1csc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)n1 ZINC000189305655 1022997086 /nfs/dbraw/zinc/99/70/86/1022997086.db2.gz LBZJVQMNUQUJNX-UHFFFAOYSA-N 1 2 344.459 3.940 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000438827476 1023045507 /nfs/dbraw/zinc/04/55/07/1023045507.db2.gz SIYQRKVSQJFOJK-VOJFVSQTSA-N 1 2 346.356 3.705 20 0 EHADLO COc1ccc(F)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1 ZINC000506978426 1023057429 /nfs/dbraw/zinc/05/74/29/1023057429.db2.gz DQCDVIMOUWSLCD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO COc1ccc(F)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1 ZINC000506978426 1023057440 /nfs/dbraw/zinc/05/74/40/1023057440.db2.gz DQCDVIMOUWSLCD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1cncc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000189869714 1023124013 /nfs/dbraw/zinc/12/40/13/1023124013.db2.gz SDYBONDZGGYXKV-OAHLLOKOSA-N 1 2 331.410 3.547 20 0 EHADLO COc1nccnc1C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000294954187 1023135004 /nfs/dbraw/zinc/13/50/04/1023135004.db2.gz VUAVZHJOMIZKHD-NSHDSACASA-N 1 2 325.334 3.697 20 0 EHADLO COc1nccnc1C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000294954187 1023135013 /nfs/dbraw/zinc/13/50/13/1023135013.db2.gz VUAVZHJOMIZKHD-NSHDSACASA-N 1 2 325.334 3.697 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)c(C)nc2s1 ZINC000507133220 1023150422 /nfs/dbraw/zinc/15/04/22/1023150422.db2.gz UDLYIBZFPJAAAG-HNNXBMFYSA-N 1 2 330.432 3.884 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@H]3c3cccc(F)c3)c(C)nc2s1 ZINC000507133220 1023150428 /nfs/dbraw/zinc/15/04/28/1023150428.db2.gz UDLYIBZFPJAAAG-HNNXBMFYSA-N 1 2 330.432 3.884 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176124005 1023180175 /nfs/dbraw/zinc/18/01/75/1023180175.db2.gz CMIUJGWSTHWMLH-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176124005 1023180184 /nfs/dbraw/zinc/18/01/84/1023180184.db2.gz CMIUJGWSTHWMLH-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cnc(N(C)C)nc2)c1 ZINC000507205145 1023180966 /nfs/dbraw/zinc/18/09/66/1023180966.db2.gz UOTSKZOIXLXSRM-UHFFFAOYSA-N 1 2 336.439 3.646 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cnc(N(C)C)nc2)c1 ZINC000507205145 1023180968 /nfs/dbraw/zinc/18/09/68/1023180968.db2.gz UOTSKZOIXLXSRM-UHFFFAOYSA-N 1 2 336.439 3.646 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)sc2C1 ZINC000507761102 1023188527 /nfs/dbraw/zinc/18/85/27/1023188527.db2.gz UZQOBKHGAXLCHB-MELADBBJSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)sc2C1 ZINC000507761102 1023188529 /nfs/dbraw/zinc/18/85/29/1023188529.db2.gz UZQOBKHGAXLCHB-MELADBBJSA-N 1 2 333.501 3.676 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC23CCCC3)c(C)c1 ZINC000441486280 1023193789 /nfs/dbraw/zinc/19/37/89/1023193789.db2.gz DYFFGLAZUAKDQL-RBUKOAKNSA-N 1 2 337.467 3.938 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C(F)(F)F)c(C)c1 ZINC000441486750 1023195004 /nfs/dbraw/zinc/19/50/04/1023195004.db2.gz BVLJGHGGFKUGRO-UKRRQHHQSA-N 1 2 339.361 3.556 20 0 EHADLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000426257645 1023209920 /nfs/dbraw/zinc/20/99/20/1023209920.db2.gz WEJHUIUFWLSHGN-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000426257645 1023209925 /nfs/dbraw/zinc/20/99/25/1023209925.db2.gz WEJHUIUFWLSHGN-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000276850673 1023214000 /nfs/dbraw/zinc/21/40/00/1023214000.db2.gz UUOQKMXZAJLIHD-LBPRGKRZSA-N 1 2 346.780 3.556 20 0 EHADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000276850673 1023214006 /nfs/dbraw/zinc/21/40/06/1023214006.db2.gz UUOQKMXZAJLIHD-LBPRGKRZSA-N 1 2 346.780 3.556 20 0 EHADLO FC(F)(F)c1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC000341736635 1023215759 /nfs/dbraw/zinc/21/57/59/1023215759.db2.gz XGCXQRRIJMTXEY-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441492469 1023235817 /nfs/dbraw/zinc/23/58/17/1023235817.db2.gz QWIAACNMDGVCQQ-IEBWSBKVSA-N 1 2 343.471 3.563 20 0 EHADLO COc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441495593 1023255692 /nfs/dbraw/zinc/25/56/92/1023255692.db2.gz XXTHKEJSEFYJDP-HXUWFJFHSA-N 1 2 349.434 3.680 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)c(F)c2C)c1C ZINC000417533834 1023300995 /nfs/dbraw/zinc/30/09/95/1023300995.db2.gz GQGRGQIXJAVCRR-UHFFFAOYSA-N 1 2 349.381 3.958 20 0 EHADLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OCc1cccs1 ZINC000091917812 1023327879 /nfs/dbraw/zinc/32/78/79/1023327879.db2.gz UUPBNLKPPVJELI-UHFFFAOYSA-N 1 2 347.480 3.947 20 0 EHADLO COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OCc1cccs1 ZINC000091917812 1023327890 /nfs/dbraw/zinc/32/78/90/1023327890.db2.gz UUPBNLKPPVJELI-UHFFFAOYSA-N 1 2 347.480 3.947 20 0 EHADLO CCCC[N@H+](Cc1c2c(nn1C)CCOC2)Cc1ccccc1Cl ZINC000891906497 1023373590 /nfs/dbraw/zinc/37/35/90/1023373590.db2.gz YGVKHICVWMANNP-UHFFFAOYSA-N 1 2 347.890 3.949 20 0 EHADLO CCCC[N@@H+](Cc1c2c(nn1C)CCOC2)Cc1ccccc1Cl ZINC000891906497 1023373600 /nfs/dbraw/zinc/37/36/00/1023373600.db2.gz YGVKHICVWMANNP-UHFFFAOYSA-N 1 2 347.890 3.949 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[NH2+]C2(c3cccc(F)c3)CC2)cs1 ZINC000341855325 1023464329 /nfs/dbraw/zinc/46/43/29/1023464329.db2.gz KWQRUIUANVQUEC-UHFFFAOYSA-N 1 2 348.443 3.555 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341883418 1023533652 /nfs/dbraw/zinc/53/36/52/1023533652.db2.gz FNJJPEAMYDFGSH-QGZVFWFLSA-N 1 2 347.503 3.687 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)C(C)C ZINC000594042795 1033147771 /nfs/dbraw/zinc/14/77/71/1033147771.db2.gz GLEWFTACWVUABV-HNNXBMFYSA-N 1 2 337.464 3.573 20 0 EHADLO COc1ccnc2c(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cccc12 ZINC000535768511 1023619326 /nfs/dbraw/zinc/61/93/26/1023619326.db2.gz BDSOYQYCZPOMFD-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC000535789541 1023635866 /nfs/dbraw/zinc/63/58/66/1023635866.db2.gz PEGTVVLGEIXSEG-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC000535789541 1023635873 /nfs/dbraw/zinc/63/58/73/1023635873.db2.gz PEGTVVLGEIXSEG-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NCc1cccs1 ZINC000535792899 1023640420 /nfs/dbraw/zinc/64/04/20/1023640420.db2.gz SGYIDSYAPRLIBU-QWHCGFSZSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NCc1cccs1 ZINC000535792899 1023640426 /nfs/dbraw/zinc/64/04/26/1023640426.db2.gz SGYIDSYAPRLIBU-QWHCGFSZSA-N 1 2 332.444 3.511 20 0 EHADLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1F ZINC000341897685 1023671089 /nfs/dbraw/zinc/67/10/89/1023671089.db2.gz RFMHIDYNOKMMEW-UHFFFAOYSA-N 1 2 349.471 3.887 20 0 EHADLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1F ZINC000341897685 1023671091 /nfs/dbraw/zinc/67/10/91/1023671091.db2.gz RFMHIDYNOKMMEW-UHFFFAOYSA-N 1 2 349.471 3.887 20 0 EHADLO CC(C)c1cc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n[nH]1 ZINC000277021300 1023704384 /nfs/dbraw/zinc/70/43/84/1023704384.db2.gz ZUXOFKKEGCWWFV-UHFFFAOYSA-N 1 2 348.476 3.620 20 0 EHADLO Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000342060960 1023812191 /nfs/dbraw/zinc/81/21/91/1023812191.db2.gz MXWGIXRLDRKPDO-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000342062267 1023813426 /nfs/dbraw/zinc/81/34/26/1023813426.db2.gz BALRUWZUBPLVBX-CYBMUJFWSA-N 1 2 340.452 3.850 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)c2C1 ZINC000277136998 1023815443 /nfs/dbraw/zinc/81/54/43/1023815443.db2.gz JOLROVXRCBMYGK-QGZVFWFLSA-N 1 2 334.419 3.721 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)c2C1 ZINC000277136998 1023815447 /nfs/dbraw/zinc/81/54/47/1023815447.db2.gz JOLROVXRCBMYGK-QGZVFWFLSA-N 1 2 334.419 3.721 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884119 1023941068 /nfs/dbraw/zinc/94/10/68/1023941068.db2.gz AYPBXMLXDUKWFC-HALQFCHDSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884119 1023941073 /nfs/dbraw/zinc/94/10/73/1023941073.db2.gz AYPBXMLXDUKWFC-HALQFCHDSA-N 1 2 338.854 3.777 20 0 EHADLO CCSc1ccc([C@H](C)Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000192303842 1023982830 /nfs/dbraw/zinc/98/28/30/1023982830.db2.gz XSTSXKHQCULSJA-AWEZNQCLSA-N 1 2 344.484 3.598 20 0 EHADLO CCSc1ccc([C@H](C)Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000192303842 1023982846 /nfs/dbraw/zinc/98/28/46/1023982846.db2.gz XSTSXKHQCULSJA-AWEZNQCLSA-N 1 2 344.484 3.598 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccc(F)c4)[C@H]3C)n2c1 ZINC000648067421 1023993139 /nfs/dbraw/zinc/99/31/39/1023993139.db2.gz CPIZDCQYTUWABS-QRWLVFNGSA-N 1 2 339.414 3.744 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)on1 ZINC000513995161 1024024547 /nfs/dbraw/zinc/02/45/47/1024024547.db2.gz UGOOOWYYKSLKSS-LRDDRELGSA-N 1 2 347.846 3.628 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000602802419 1033175388 /nfs/dbraw/zinc/17/53/88/1033175388.db2.gz RFLQQMRZEHZPDT-BDJLRTHQSA-N 1 2 332.375 3.711 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513988863 1024031708 /nfs/dbraw/zinc/03/17/08/1024031708.db2.gz DTPZNZHQDFBOJD-RDTXWAMCSA-N 1 2 328.843 3.617 20 0 EHADLO O=C(CCCc1cccs1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988045 1024032549 /nfs/dbraw/zinc/03/25/49/1024032549.db2.gz SWZFCVJSOBQDHE-KRWDZBQOSA-N 1 2 348.899 3.897 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000151201296 1024060832 /nfs/dbraw/zinc/06/08/32/1024060832.db2.gz WNUNHXHIMZAIRZ-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000455651136 1024079840 /nfs/dbraw/zinc/07/98/40/1024079840.db2.gz NXLGXBLTUROMOB-LTIDMASMSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCCc4ccccc43)[nH+]c12 ZINC000522238919 1024083148 /nfs/dbraw/zinc/08/31/48/1024083148.db2.gz XPIATPVLEFDKLS-LJQANCHMSA-N 1 2 333.435 3.721 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2ccccc2F)CCCC1 ZINC000434509158 1024088262 /nfs/dbraw/zinc/08/82/62/1024088262.db2.gz HAOJQPUFNXKAIB-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2ccccc2F)CCCC1 ZINC000434509158 1024088277 /nfs/dbraw/zinc/08/82/77/1024088277.db2.gz HAOJQPUFNXKAIB-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000550422084 1024112827 /nfs/dbraw/zinc/11/28/27/1024112827.db2.gz UBTKQIUGOLTFJQ-CMPLNLGQSA-N 1 2 341.274 3.598 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000434536853 1024126111 /nfs/dbraw/zinc/12/61/11/1024126111.db2.gz WYXUUKJLTXHURJ-CYBMUJFWSA-N 1 2 336.842 3.859 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000434536853 1024126118 /nfs/dbraw/zinc/12/61/18/1024126118.db2.gz WYXUUKJLTXHURJ-CYBMUJFWSA-N 1 2 336.842 3.859 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541136 1024151058 /nfs/dbraw/zinc/15/10/58/1024151058.db2.gz CFFXEVAZFFWXBH-RHSMWYFYSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541136 1024151065 /nfs/dbraw/zinc/15/10/65/1024151065.db2.gz CFFXEVAZFFWXBH-RHSMWYFYSA-N 1 2 328.435 3.727 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)C(C)(C)C)cn2c1 ZINC000522284569 1024151312 /nfs/dbraw/zinc/15/13/12/1024151312.db2.gz OVUOTNHBSBHRIM-CQSZACIVSA-N 1 2 333.501 3.769 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000151527336 1024153809 /nfs/dbraw/zinc/15/38/09/1024153809.db2.gz SUKKCLBMWSBCRD-CYBMUJFWSA-N 1 2 332.835 3.560 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncc2ccccc21 ZINC000342130907 1024199939 /nfs/dbraw/zinc/19/99/39/1024199939.db2.gz PAEJSKVYIJWYIM-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@]1=O ZINC000277205895 1024205708 /nfs/dbraw/zinc/20/57/08/1024205708.db2.gz MYDJAOQQLQCKBQ-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@]1=O ZINC000277205895 1024205726 /nfs/dbraw/zinc/20/57/26/1024205726.db2.gz MYDJAOQQLQCKBQ-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(Br)s2)nn1 ZINC000342146399 1024238397 /nfs/dbraw/zinc/23/83/97/1024238397.db2.gz SQLLXWKUYUPDMH-VIFPVBQESA-N 1 2 329.267 3.534 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000329828720 1024214028 /nfs/dbraw/zinc/21/40/28/1024214028.db2.gz JMDCXJPQLJJOBR-AAEUAGOBSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000329828720 1024214044 /nfs/dbraw/zinc/21/40/44/1024214044.db2.gz JMDCXJPQLJJOBR-AAEUAGOBSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1cn(C(C)C)nn1 ZINC000342136827 1024216363 /nfs/dbraw/zinc/21/63/63/1024216363.db2.gz HSYIDWOKVAWIJP-HNNXBMFYSA-N 1 2 326.366 3.951 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1[C@H]1CCCO1 ZINC000329850653 1024221995 /nfs/dbraw/zinc/22/19/95/1024221995.db2.gz QGTCPXXPXZSZPH-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1[C@H]1CCCO1 ZINC000329850653 1024222016 /nfs/dbraw/zinc/22/20/16/1024222016.db2.gz QGTCPXXPXZSZPH-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO c1cn(-c2ccccc2-c2noc(-c3csc(C4CC4)n3)n2)c[nH+]1 ZINC001213110913 1024247775 /nfs/dbraw/zinc/24/77/75/1024247775.db2.gz YPQFAQGCUANFKD-UHFFFAOYSA-N 1 2 335.392 3.923 20 0 EHADLO CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022342366 1024254824 /nfs/dbraw/zinc/25/48/24/1024254824.db2.gz KIMKSADOLJBKHO-FQEVSTJZSA-N 1 2 342.870 3.984 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCSC(C)(C)CC1 ZINC000434679731 1024273984 /nfs/dbraw/zinc/27/39/84/1024273984.db2.gz FDJUTHWOJLPYDQ-LLVKDONJSA-N 1 2 328.428 3.509 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCSC(C)(C)CC1 ZINC000434679731 1024273997 /nfs/dbraw/zinc/27/39/97/1024273997.db2.gz FDJUTHWOJLPYDQ-LLVKDONJSA-N 1 2 328.428 3.509 20 0 EHADLO C[C@H](c1nnc(SCC[C@H](C)F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000505466319 1024282566 /nfs/dbraw/zinc/28/25/66/1024282566.db2.gz FTEQRNADWOYULF-NWDGAFQWSA-N 1 2 340.443 3.869 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688067 1024297269 /nfs/dbraw/zinc/29/72/69/1024297269.db2.gz HWRACAWAJUGKTD-KRWDZBQOSA-N 1 2 347.503 3.519 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000277241649 1024299111 /nfs/dbraw/zinc/29/91/11/1024299111.db2.gz OEDVDLOEWUULBR-UHFFFAOYSA-N 1 2 342.201 3.806 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000459121985 1024312256 /nfs/dbraw/zinc/31/22/56/1024312256.db2.gz OCXNNLDMGOBAAY-INIZCTEOSA-N 1 2 329.469 3.979 20 0 EHADLO C[C@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cccc1 ZINC000533841539 1024356054 /nfs/dbraw/zinc/35/60/54/1024356054.db2.gz JNKFYMXANVQNLJ-MRXNPFEDSA-N 1 2 346.434 3.993 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1C)Cc1cc(Br)ccc1F ZINC000350302752 1024359553 /nfs/dbraw/zinc/35/95/53/1024359553.db2.gz UQLRKFNVRKNQQX-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1C)Cc1cc(Br)ccc1F ZINC000350302752 1024359568 /nfs/dbraw/zinc/35/95/68/1024359568.db2.gz UQLRKFNVRKNQQX-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CC(C)C[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H]1CCCc2cccnc21 ZINC000330265558 1024377722 /nfs/dbraw/zinc/37/77/22/1024377722.db2.gz ZKNAOHDWCRQTBU-MRXNPFEDSA-N 1 2 327.476 3.859 20 0 EHADLO CC(C)C[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H]1CCCc2cccnc21 ZINC000330265558 1024377740 /nfs/dbraw/zinc/37/77/40/1024377740.db2.gz ZKNAOHDWCRQTBU-MRXNPFEDSA-N 1 2 327.476 3.859 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CC2CCCCCC2)CC[NH2+]1 ZINC000505505009 1024401017 /nfs/dbraw/zinc/40/10/17/1024401017.db2.gz HHLNNJHKKWFILG-GOSISDBHSA-N 1 2 330.472 3.529 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)s1 ZINC000443675676 1024403971 /nfs/dbraw/zinc/40/39/71/1024403971.db2.gz RWHWIZQWPMTQTB-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1cccc(F)c1 ZINC000505516149 1024414684 /nfs/dbraw/zinc/41/46/84/1024414684.db2.gz OQGTXCPKJZZVCS-KUHUBIRLSA-N 1 2 344.405 3.632 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[NH2+]Cc3nnnn3CC3CC3)cc2)c1 ZINC000472037533 1024433092 /nfs/dbraw/zinc/43/30/92/1024433092.db2.gz JQIXOVKSTAHIPX-UHFFFAOYSA-N 1 2 347.466 3.657 20 0 EHADLO CSCc1cnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000897862348 1033211228 /nfs/dbraw/zinc/21/12/28/1033211228.db2.gz FXCNHRFABNBJNV-UHFFFAOYSA-N 1 2 348.493 3.556 20 0 EHADLO Cc1nc(N2CC[C@@]3(CC(F)(F)C3(F)F)C2)c2c([nH+]1)CCCC2 ZINC000895388425 1024447554 /nfs/dbraw/zinc/44/75/54/1024447554.db2.gz LXICTKFXEFQRIA-CQSZACIVSA-N 1 2 329.341 3.535 20 0 EHADLO c1cn(-c2csc(C[N@H+](Cc3cc[nH]n3)Cc3ccccc3)c2)cn1 ZINC000346147753 1024450095 /nfs/dbraw/zinc/45/00/95/1024450095.db2.gz JYJSPUJJXSJQFM-UHFFFAOYSA-N 1 2 349.463 3.859 20 0 EHADLO c1cn(-c2csc(C[N@@H+](Cc3cc[nH]n3)Cc3ccccc3)c2)cn1 ZINC000346147753 1024450098 /nfs/dbraw/zinc/45/00/98/1024450098.db2.gz JYJSPUJJXSJQFM-UHFFFAOYSA-N 1 2 349.463 3.859 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[NH2+]1 ZINC000505549903 1024467256 /nfs/dbraw/zinc/46/72/56/1024467256.db2.gz LQQJIEPICCZMMH-GOSISDBHSA-N 1 2 344.499 3.775 20 0 EHADLO Cc1ccsc1CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425230373 1024475340 /nfs/dbraw/zinc/47/53/40/1024475340.db2.gz LULQLXUKHOGURB-INIZCTEOSA-N 1 2 339.464 3.661 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCN1CCCC1=O ZINC000434894293 1024477530 /nfs/dbraw/zinc/47/75/30/1024477530.db2.gz FINSKBHABCNJNL-NSHDSACASA-N 1 2 327.255 3.535 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCN1CCCC1=O ZINC000434894293 1024477535 /nfs/dbraw/zinc/47/75/35/1024477535.db2.gz FINSKBHABCNJNL-NSHDSACASA-N 1 2 327.255 3.535 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC(C)(C)C1 ZINC000425244604 1024501254 /nfs/dbraw/zinc/50/12/54/1024501254.db2.gz SEMTWLMINCLWMW-RDJZCZTQSA-N 1 2 325.456 3.826 20 0 EHADLO CCn1nc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c2ccccc21 ZINC000472052242 1024503891 /nfs/dbraw/zinc/50/38/91/1024503891.db2.gz JGOCWRGQXSFRRM-LJQANCHMSA-N 1 2 348.454 3.586 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434915388 1024505960 /nfs/dbraw/zinc/50/59/60/1024505960.db2.gz TYEZRUDXXHRETI-FQEVSTJZSA-N 1 2 345.483 3.962 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000435038801 1024562041 /nfs/dbraw/zinc/56/20/41/1024562041.db2.gz WNVXTORZADQVHV-OALUTQOASA-N 1 2 337.419 3.500 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000435038801 1024562048 /nfs/dbraw/zinc/56/20/48/1024562048.db2.gz WNVXTORZADQVHV-OALUTQOASA-N 1 2 337.419 3.500 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048803 1033220031 /nfs/dbraw/zinc/22/00/31/1033220031.db2.gz OLUJXQBSNNLUHT-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048803 1033220044 /nfs/dbraw/zinc/22/00/44/1033220044.db2.gz OLUJXQBSNNLUHT-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000669656621 1033221111 /nfs/dbraw/zinc/22/11/11/1033221111.db2.gz CVKLRQHXSJPBBF-CVEARBPZSA-N 1 2 347.409 3.646 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000366621388 1024586753 /nfs/dbraw/zinc/58/67/53/1024586753.db2.gz WMRBFXNTHIXALN-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCC2=CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000185268869 1024590012 /nfs/dbraw/zinc/59/00/12/1024590012.db2.gz UVHHVPBFQACNTJ-SJLPKXTDSA-N 1 2 330.476 3.756 20 0 EHADLO C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](O)C1 ZINC000114485484 1024600912 /nfs/dbraw/zinc/60/09/12/1024600912.db2.gz BSQKRBIDJFDXQS-PRHODGIISA-N 1 2 327.268 3.852 20 0 EHADLO C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H](O)C1 ZINC000114485484 1024600914 /nfs/dbraw/zinc/60/09/14/1024600914.db2.gz BSQKRBIDJFDXQS-PRHODGIISA-N 1 2 327.268 3.852 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000346320443 1024619679 /nfs/dbraw/zinc/61/96/79/1024619679.db2.gz ZWYOOPQIKYIJCJ-UHFFFAOYSA-N 1 2 327.428 3.749 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000548601447 1024634550 /nfs/dbraw/zinc/63/45/50/1024634550.db2.gz WEPIBPRHOFTHRH-OCCSQVGLSA-N 1 2 347.488 3.716 20 0 EHADLO COc1ccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)cn1 ZINC001211884892 1024664690 /nfs/dbraw/zinc/66/46/90/1024664690.db2.gz IEAAPSZNKWTRLM-JKSUJKDBSA-N 1 2 336.395 3.696 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000042317164 1024673419 /nfs/dbraw/zinc/67/34/19/1024673419.db2.gz BMLJGBUAVZGWOP-UHFFFAOYSA-N 1 2 349.247 3.910 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346401545 1024717313 /nfs/dbraw/zinc/71/73/13/1024717313.db2.gz HTQVMAVTCDYZOL-LJQANCHMSA-N 1 2 348.406 3.558 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(F)(F)F ZINC000507846137 1024718611 /nfs/dbraw/zinc/71/86/11/1024718611.db2.gz SMOIXBJPADSKLX-ZDUSSCGKSA-N 1 2 336.785 3.619 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(F)(F)F ZINC000507846137 1024718618 /nfs/dbraw/zinc/71/86/18/1024718618.db2.gz SMOIXBJPADSKLX-ZDUSSCGKSA-N 1 2 336.785 3.619 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1c1cccc(F)c1 ZINC000346434269 1024730813 /nfs/dbraw/zinc/73/08/13/1024730813.db2.gz OLGIGFBIVUXTCP-CDHAZOANSA-N 1 2 327.403 3.578 20 0 EHADLO Cc1ccc(F)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474318021 1024738043 /nfs/dbraw/zinc/73/80/43/1024738043.db2.gz FRDONSICEHQQFN-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(F)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474318021 1024738057 /nfs/dbraw/zinc/73/80/57/1024738057.db2.gz FRDONSICEHQQFN-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO C[C@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000425316622 1024739757 /nfs/dbraw/zinc/73/97/57/1024739757.db2.gz QDEHMHLILRNNQY-NOYKIMNZSA-N 1 2 349.478 3.826 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC000346448481 1024743301 /nfs/dbraw/zinc/74/33/01/1024743301.db2.gz HIUGISVXMXCTTP-IBGZPJMESA-N 1 2 327.472 3.799 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC000346448481 1024743311 /nfs/dbraw/zinc/74/33/11/1024743311.db2.gz HIUGISVXMXCTTP-IBGZPJMESA-N 1 2 327.472 3.799 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000342292158 1024750234 /nfs/dbraw/zinc/75/02/34/1024750234.db2.gz FRTRLFRABZJHTK-VLIAUNLRSA-N 1 2 337.398 3.682 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482993 1024767850 /nfs/dbraw/zinc/76/78/50/1024767850.db2.gz KKEGZLAEWLEJHM-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482993 1024767859 /nfs/dbraw/zinc/76/78/59/1024767859.db2.gz KKEGZLAEWLEJHM-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C2CCC2)c1 ZINC000892114106 1024768319 /nfs/dbraw/zinc/76/83/19/1024768319.db2.gz KGKBMNOFFHECII-UHFFFAOYSA-N 1 2 340.471 3.686 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C2CCC2)c1 ZINC000892114106 1024768333 /nfs/dbraw/zinc/76/83/33/1024768333.db2.gz KGKBMNOFFHECII-UHFFFAOYSA-N 1 2 340.471 3.686 20 0 EHADLO CC(C)c1scnc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000346506927 1024787156 /nfs/dbraw/zinc/78/71/56/1024787156.db2.gz MMBKECJHCXQMSR-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)cn1 ZINC000281232132 1024793981 /nfs/dbraw/zinc/79/39/81/1024793981.db2.gz UTFBWULAZAEZLP-IINYFYTJSA-N 1 2 344.308 3.504 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC23CCCC3)C[C@H](C)O1 ZINC000474350103 1024795168 /nfs/dbraw/zinc/79/51/68/1024795168.db2.gz AWJKELMOAJFDKP-JZXOWHBKSA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC23CCCC3)C[C@H](C)O1 ZINC000474350103 1024795175 /nfs/dbraw/zinc/79/51/75/1024795175.db2.gz AWJKELMOAJFDKP-JZXOWHBKSA-N 1 2 342.483 3.815 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)c1ccccc1 ZINC000427816662 1024801148 /nfs/dbraw/zinc/80/11/48/1024801148.db2.gz CIHJNIILNKLEME-HXUWFJFHSA-N 1 2 334.394 3.809 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000425344914 1024815065 /nfs/dbraw/zinc/81/50/65/1024815065.db2.gz UOOKLORXEBWIJJ-KRWDZBQOSA-N 1 2 337.826 3.830 20 0 EHADLO CCOC(=O)CN(Cc1c[nH+]cn1C(C)C)[C@H](C)c1ccccc1 ZINC000425352231 1024822656 /nfs/dbraw/zinc/82/26/56/1024822656.db2.gz MPJYWLMJFZVKGS-MRXNPFEDSA-N 1 2 329.444 3.590 20 0 EHADLO F[C@@H]1CC2(CC[C@H]1[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119757 1024843439 /nfs/dbraw/zinc/84/34/39/1024843439.db2.gz HRXZYPCWXCFQAU-OWCLPIDISA-N 1 2 325.811 3.721 20 0 EHADLO F[C@@H]1CC2(CC[C@H]1[N@H+]1CC[C@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119757 1024843456 /nfs/dbraw/zinc/84/34/56/1024843456.db2.gz HRXZYPCWXCFQAU-OWCLPIDISA-N 1 2 325.811 3.721 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2)c(OC)c1OC ZINC000505683753 1024876270 /nfs/dbraw/zinc/87/62/70/1024876270.db2.gz KXFBBSNXEPZLIQ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2)c(OC)c1OC ZINC000505683753 1024876276 /nfs/dbraw/zinc/87/62/76/1024876276.db2.gz KXFBBSNXEPZLIQ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COCc1csc(C[NH2+][C@H](c2nccn2C)c2ccccc2)c1 ZINC000657305693 1024880383 /nfs/dbraw/zinc/88/03/83/1024880383.db2.gz RJJVVNWMGXZEPV-KRWDZBQOSA-N 1 2 327.453 3.507 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000346598466 1024909821 /nfs/dbraw/zinc/90/98/21/1024909821.db2.gz GHLZZLJNRNRBFF-PBHICJAKSA-N 1 2 340.389 3.546 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000346598466 1024909828 /nfs/dbraw/zinc/90/98/28/1024909828.db2.gz GHLZZLJNRNRBFF-PBHICJAKSA-N 1 2 340.389 3.546 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000532091706 1024919141 /nfs/dbraw/zinc/91/91/41/1024919141.db2.gz NXBQMYVRROWFTL-CQSZACIVSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000532091706 1024919149 /nfs/dbraw/zinc/91/91/49/1024919149.db2.gz NXBQMYVRROWFTL-CQSZACIVSA-N 1 2 330.241 3.835 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)NCc1ccccc1F ZINC000071953722 1024922434 /nfs/dbraw/zinc/92/24/34/1024922434.db2.gz MBNKFSFTRWRFBO-SFHVURJKSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)NCc1ccccc1F ZINC000071953722 1024922444 /nfs/dbraw/zinc/92/24/44/1024922444.db2.gz MBNKFSFTRWRFBO-SFHVURJKSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428008821 1024937823 /nfs/dbraw/zinc/93/78/23/1024937823.db2.gz RCMHFNQVPCIMID-NKELODKYSA-N 1 2 337.467 3.678 20 0 EHADLO CC(C)[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccccc1F ZINC000346599686 1024937945 /nfs/dbraw/zinc/93/79/45/1024937945.db2.gz AKJCBJVIBVWVPQ-OAHLLOKOSA-N 1 2 332.463 3.826 20 0 EHADLO CC(C)[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccccc1F ZINC000346599686 1024937953 /nfs/dbraw/zinc/93/79/53/1024937953.db2.gz AKJCBJVIBVWVPQ-OAHLLOKOSA-N 1 2 332.463 3.826 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000342336451 1024958819 /nfs/dbraw/zinc/95/88/19/1024958819.db2.gz JNTJXKPLNYCSEA-ZDUSSCGKSA-N 1 2 325.334 3.511 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000342336451 1024958824 /nfs/dbraw/zinc/95/88/24/1024958824.db2.gz JNTJXKPLNYCSEA-ZDUSSCGKSA-N 1 2 325.334 3.511 20 0 EHADLO COc1ccccc1C1(CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000346625507 1024966068 /nfs/dbraw/zinc/96/60/68/1024966068.db2.gz LOYCPBSKDJBHLU-UHFFFAOYSA-N 1 2 338.455 3.619 20 0 EHADLO COc1ccccc1C1(CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000346625507 1024966075 /nfs/dbraw/zinc/96/60/75/1024966075.db2.gz LOYCPBSKDJBHLU-UHFFFAOYSA-N 1 2 338.455 3.619 20 0 EHADLO Cc1cc(C(F)(F)F)cc(N2CCn3c(C(C)C)nnc3[C@H]2C)[nH+]1 ZINC000895908972 1024967791 /nfs/dbraw/zinc/96/77/91/1024967791.db2.gz LQSKVCQTZWPLBK-LLVKDONJSA-N 1 2 339.365 3.705 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000544364790 1024976777 /nfs/dbraw/zinc/97/67/77/1024976777.db2.gz ZAPJKOAHAXOVSI-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120075655 1033252761 /nfs/dbraw/zinc/25/27/61/1033252761.db2.gz SOZPTOQCJJNBMJ-DLBZAZTESA-N 1 2 334.508 3.743 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001167526243 1025011702 /nfs/dbraw/zinc/01/17/02/1025011702.db2.gz TXTONXBJIYRZSN-ZDUSSCGKSA-N 1 2 342.842 3.920 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001167526243 1025011714 /nfs/dbraw/zinc/01/17/14/1025011714.db2.gz TXTONXBJIYRZSN-ZDUSSCGKSA-N 1 2 342.842 3.920 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548646852 1025013274 /nfs/dbraw/zinc/01/32/74/1025013274.db2.gz FQAFBFVSFOUSMM-QGZVFWFLSA-N 1 2 326.444 3.608 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C(C)(C)C)cn1 ZINC000342346904 1025018745 /nfs/dbraw/zinc/01/87/45/1025018745.db2.gz REJMXSPXHFJLAR-LBPRGKRZSA-N 1 2 332.395 3.772 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1sccc1C1CC1 ZINC000346683006 1025030349 /nfs/dbraw/zinc/03/03/49/1025030349.db2.gz NJAQQCGNXAQKMV-HNNXBMFYSA-N 1 2 340.492 3.972 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1sccc1C1CC1 ZINC000346683006 1025030360 /nfs/dbraw/zinc/03/03/60/1025030360.db2.gz NJAQQCGNXAQKMV-HNNXBMFYSA-N 1 2 340.492 3.972 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000639366999 1025048731 /nfs/dbraw/zinc/04/87/31/1025048731.db2.gz OUQCUDWDSYUKBR-PBHICJAKSA-N 1 2 336.357 3.798 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000639366999 1025048743 /nfs/dbraw/zinc/04/87/43/1025048743.db2.gz OUQCUDWDSYUKBR-PBHICJAKSA-N 1 2 336.357 3.798 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435672359 1025076349 /nfs/dbraw/zinc/07/63/49/1025076349.db2.gz IYEVZMBXCGYHFB-WDSOQIARSA-N 1 2 343.854 3.960 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000054022688 1025089304 /nfs/dbraw/zinc/08/93/04/1025089304.db2.gz NMPJPHPXBJVWKW-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761052272 1033259993 /nfs/dbraw/zinc/25/99/93/1033259993.db2.gz OEEVEEGINOGGGF-RYUDHWBXSA-N 1 2 325.334 3.990 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761052272 1033259998 /nfs/dbraw/zinc/25/99/98/1033259998.db2.gz OEEVEEGINOGGGF-RYUDHWBXSA-N 1 2 325.334 3.990 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC(C)(C)C2CCCC2)C1 ZINC000152055461 1025130251 /nfs/dbraw/zinc/13/02/51/1025130251.db2.gz IOVWQTISNQVTOL-MRXNPFEDSA-N 1 2 346.519 3.601 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582065186 1025140912 /nfs/dbraw/zinc/14/09/12/1025140912.db2.gz CRUOVTQEOBKKNX-VQIMIIECSA-N 1 2 325.456 3.658 20 0 EHADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520970517 1025145482 /nfs/dbraw/zinc/14/54/82/1025145482.db2.gz NGCIWIGOBYOZBB-LBPRGKRZSA-N 1 2 334.872 3.845 20 0 EHADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520970517 1025145493 /nfs/dbraw/zinc/14/54/93/1025145493.db2.gz NGCIWIGOBYOZBB-LBPRGKRZSA-N 1 2 334.872 3.845 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21)n1cc[nH+]c1 ZINC000515303348 1025162950 /nfs/dbraw/zinc/16/29/50/1025162950.db2.gz APLZNMRXYDXLOV-SWLSCSKDSA-N 1 2 333.819 3.518 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351976026 1025167744 /nfs/dbraw/zinc/16/77/44/1025167744.db2.gz QDURLJGZOAKXTE-WBVHZDCISA-N 1 2 333.863 3.616 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351976026 1025167751 /nfs/dbraw/zinc/16/77/51/1025167751.db2.gz QDURLJGZOAKXTE-WBVHZDCISA-N 1 2 333.863 3.616 20 0 EHADLO C[C@H](NCc1ccsc1Br)c1cn2c([nH+]1)CCCC2 ZINC000926366898 1025173033 /nfs/dbraw/zinc/17/30/33/1025173033.db2.gz HDMXZBHXLMTOOO-JTQLQIEISA-N 1 2 340.290 3.894 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccnc1 ZINC000342393789 1025177572 /nfs/dbraw/zinc/17/75/72/1025177572.db2.gz PIYQMSYWZROPFR-UHFFFAOYSA-N 1 2 340.452 3.540 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccnc1 ZINC000342393789 1025177579 /nfs/dbraw/zinc/17/75/79/1025177579.db2.gz PIYQMSYWZROPFR-UHFFFAOYSA-N 1 2 340.452 3.540 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000515340084 1025177942 /nfs/dbraw/zinc/17/79/42/1025177942.db2.gz MAZVAFNVJQRWNN-LJQANCHMSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000515340084 1025177946 /nfs/dbraw/zinc/17/79/46/1025177946.db2.gz MAZVAFNVJQRWNN-LJQANCHMSA-N 1 2 342.414 3.918 20 0 EHADLO CCCCCc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000515385529 1025199896 /nfs/dbraw/zinc/19/98/96/1025199896.db2.gz ZOOYVJSTAZAPME-UHFFFAOYSA-N 1 2 347.503 3.652 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1CCF ZINC000281566771 1025219121 /nfs/dbraw/zinc/21/91/21/1025219121.db2.gz DOEKNRARBDEFMO-KRWDZBQOSA-N 1 2 348.466 3.913 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000281565733 1025219500 /nfs/dbraw/zinc/21/95/00/1025219500.db2.gz KCEPQQAHNHKCCX-KUHUBIRLSA-N 1 2 331.435 3.874 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000281565733 1025219518 /nfs/dbraw/zinc/21/95/18/1025219518.db2.gz KCEPQQAHNHKCCX-KUHUBIRLSA-N 1 2 331.435 3.874 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cn1 ZINC000925000963 1025256071 /nfs/dbraw/zinc/25/60/71/1025256071.db2.gz UWJPDRSZULCOCM-INIZCTEOSA-N 1 2 332.831 3.885 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC000346889130 1025259933 /nfs/dbraw/zinc/25/99/33/1025259933.db2.gz AYICZOJYLBBEJE-UHFFFAOYSA-N 1 2 335.398 3.936 20 0 EHADLO COc1cccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984219 1025267066 /nfs/dbraw/zinc/26/70/66/1025267066.db2.gz LDXPSSQQQRSJMI-VQTJNVASSA-N 1 2 345.483 3.950 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984219 1025267076 /nfs/dbraw/zinc/26/70/76/1025267076.db2.gz LDXPSSQQQRSJMI-VQTJNVASSA-N 1 2 345.483 3.950 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984205 1025267388 /nfs/dbraw/zinc/26/73/88/1025267388.db2.gz LDXPSSQQQRSJMI-PMACEKPBSA-N 1 2 345.483 3.950 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984205 1025267395 /nfs/dbraw/zinc/26/73/95/1025267395.db2.gz LDXPSSQQQRSJMI-PMACEKPBSA-N 1 2 345.483 3.950 20 0 EHADLO CCC[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@H](CC)C(=O)OCC ZINC000425437876 1025278395 /nfs/dbraw/zinc/27/83/95/1025278395.db2.gz CEHVQHNURIBBLL-LJQANCHMSA-N 1 2 341.455 3.697 20 0 EHADLO CCC[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@H](CC)C(=O)OCC ZINC000425437876 1025278411 /nfs/dbraw/zinc/27/84/11/1025278411.db2.gz CEHVQHNURIBBLL-LJQANCHMSA-N 1 2 341.455 3.697 20 0 EHADLO COc1cncc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1C ZINC000638160860 1025278474 /nfs/dbraw/zinc/27/84/74/1025278474.db2.gz ZQAOGYJLYGUPRR-GHMZBOCLSA-N 1 2 342.283 3.571 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CO2 ZINC000342414358 1025295490 /nfs/dbraw/zinc/29/54/90/1025295490.db2.gz GTBKPMPGKKXCPZ-MRXNPFEDSA-N 1 2 325.799 3.749 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc(C(C)(C)C)s1 ZINC000436018430 1025318071 /nfs/dbraw/zinc/31/80/71/1025318071.db2.gz DPGMGRYJNVSDPS-UHFFFAOYSA-N 1 2 332.448 3.983 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000281676067 1025360580 /nfs/dbraw/zinc/36/05/80/1025360580.db2.gz LYAHVSIWFFSWDM-GWCFXTLKSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000281676067 1025360596 /nfs/dbraw/zinc/36/05/96/1025360596.db2.gz LYAHVSIWFFSWDM-GWCFXTLKSA-N 1 2 328.243 3.640 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ncc(Br)cn1 ZINC000353896398 1025387600 /nfs/dbraw/zinc/38/76/00/1025387600.db2.gz HGALJQVQBKUXMB-JTQLQIEISA-N 1 2 331.217 3.571 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000346992387 1025393497 /nfs/dbraw/zinc/39/34/97/1025393497.db2.gz AYBKZTKDFCAOST-HNNXBMFYSA-N 1 2 343.496 3.606 20 0 EHADLO O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281705901 1025398723 /nfs/dbraw/zinc/39/87/23/1025398723.db2.gz CEHWVZKHFCGTHS-CQSZACIVSA-N 1 2 345.393 3.517 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000347004732 1025400299 /nfs/dbraw/zinc/40/02/99/1025400299.db2.gz KKIIZMITOZYLLT-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000347004732 1025400311 /nfs/dbraw/zinc/40/03/11/1025400311.db2.gz KKIIZMITOZYLLT-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3cn(C4CCC4)nn3)c(C)c2c1 ZINC000657352817 1025401930 /nfs/dbraw/zinc/40/19/30/1025401930.db2.gz DENCPARUYKVNNX-ZDUSSCGKSA-N 1 2 340.427 3.917 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000521478469 1025403551 /nfs/dbraw/zinc/40/35/51/1025403551.db2.gz IXBFDFIECLSLAQ-LBPRGKRZSA-N 1 2 333.426 3.942 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000521478469 1025403556 /nfs/dbraw/zinc/40/35/56/1025403556.db2.gz IXBFDFIECLSLAQ-LBPRGKRZSA-N 1 2 333.426 3.942 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896411041 1025413482 /nfs/dbraw/zinc/41/34/82/1025413482.db2.gz ZGZVHDLPYLTRBH-MRXNPFEDSA-N 1 2 333.863 3.718 20 0 EHADLO CC(C)COc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000347038551 1025422502 /nfs/dbraw/zinc/42/25/02/1025422502.db2.gz IPWSBDJGZDPQGT-UHFFFAOYSA-N 1 2 341.455 3.526 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)n1 ZINC000425485378 1025444966 /nfs/dbraw/zinc/44/49/66/1025444966.db2.gz WUJGHXGLPYXOJW-AWEZNQCLSA-N 1 2 337.464 3.669 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)n1 ZINC000425485378 1025444971 /nfs/dbraw/zinc/44/49/71/1025444971.db2.gz WUJGHXGLPYXOJW-AWEZNQCLSA-N 1 2 337.464 3.669 20 0 EHADLO CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000347054559 1025449327 /nfs/dbraw/zinc/44/93/27/1025449327.db2.gz MTIXLZSRLUIGLD-SFHVURJKSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2cccnc2)no1 ZINC000521570407 1025475111 /nfs/dbraw/zinc/47/51/11/1025475111.db2.gz WQTWVCPXWDOOMT-SFHVURJKSA-N 1 2 349.438 3.502 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCc1cccc(Br)c1 ZINC000451057198 1025478104 /nfs/dbraw/zinc/47/81/04/1025478104.db2.gz IWADQFANANUHCH-SNVBAGLBSA-N 1 2 326.263 3.536 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000451057198 1025478110 /nfs/dbraw/zinc/47/81/10/1025478110.db2.gz IWADQFANANUHCH-SNVBAGLBSA-N 1 2 326.263 3.536 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000543848231 1025485155 /nfs/dbraw/zinc/48/51/55/1025485155.db2.gz JDXWFRTUVZUYOY-RRQGHBQHSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000543848231 1025485165 /nfs/dbraw/zinc/48/51/65/1025485165.db2.gz JDXWFRTUVZUYOY-RRQGHBQHSA-N 1 2 336.426 3.653 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000391843309 1025497526 /nfs/dbraw/zinc/49/75/26/1025497526.db2.gz VZTXODAMYOCQPE-LSDHHAIUSA-N 1 2 328.460 3.733 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000391843296 1025498078 /nfs/dbraw/zinc/49/80/78/1025498078.db2.gz VZTXODAMYOCQPE-CABCVRRESA-N 1 2 328.460 3.733 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1F ZINC000121562366 1025505350 /nfs/dbraw/zinc/50/53/50/1025505350.db2.gz WPXHHTWKWNABAG-SNVBAGLBSA-N 1 2 333.388 3.797 20 0 EHADLO c1cn([C@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)nn1 ZINC000425503596 1025519573 /nfs/dbraw/zinc/51/95/73/1025519573.db2.gz JJWSUIYSRJJFNC-HNNXBMFYSA-N 1 2 331.489 3.619 20 0 EHADLO c1cn([C@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)nn1 ZINC000425503596 1025519581 /nfs/dbraw/zinc/51/95/81/1025519581.db2.gz JJWSUIYSRJJFNC-HNNXBMFYSA-N 1 2 331.489 3.619 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000665454018 1025519720 /nfs/dbraw/zinc/51/97/20/1025519720.db2.gz ZUPNMDZICBKWCD-KRWDZBQOSA-N 1 2 330.476 3.733 20 0 EHADLO Fc1c(Cl)nccc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896527610 1025542088 /nfs/dbraw/zinc/54/20/88/1025542088.db2.gz GRKXJLHGLDDTPH-NSHDSACASA-N 1 2 325.840 3.785 20 0 EHADLO Fc1c(Cl)nccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896527610 1025542103 /nfs/dbraw/zinc/54/21/03/1025542103.db2.gz GRKXJLHGLDDTPH-NSHDSACASA-N 1 2 325.840 3.785 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F ZINC000515736232 1025546906 /nfs/dbraw/zinc/54/69/06/1025546906.db2.gz WRIVEWBLMYQWFH-VHSXEESVSA-N 1 2 340.320 3.921 20 0 EHADLO CCN(CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000303675219 1025598386 /nfs/dbraw/zinc/59/83/86/1025598386.db2.gz KSXQZMKJXISNDO-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2C1 ZINC000347169796 1025609637 /nfs/dbraw/zinc/60/96/37/1025609637.db2.gz MPPWAOJMVMFLOY-ZDUSSCGKSA-N 1 2 343.496 3.678 20 0 EHADLO COc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C2CC2)cc1Cl ZINC000655385180 1025651609 /nfs/dbraw/zinc/65/16/09/1025651609.db2.gz LTNVHVVSYSZGQO-JTQLQIEISA-N 1 2 333.819 3.766 20 0 EHADLO COc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C2CC2)cc1Cl ZINC000655385180 1025651617 /nfs/dbraw/zinc/65/16/17/1025651617.db2.gz LTNVHVVSYSZGQO-JTQLQIEISA-N 1 2 333.819 3.766 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2cccc(F)c2Cl)C2CC2)c1 ZINC000451206898 1025677496 /nfs/dbraw/zinc/67/74/96/1025677496.db2.gz IHCAOTPHQSKVRP-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2cccc(F)c2Cl)C2CC2)c1 ZINC000451206898 1025677507 /nfs/dbraw/zinc/67/75/07/1025677507.db2.gz IHCAOTPHQSKVRP-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1ccco1 ZINC000347234207 1025702923 /nfs/dbraw/zinc/70/29/23/1025702923.db2.gz QRLIGCYBRCICJB-ZDUSSCGKSA-N 1 2 335.272 3.790 20 0 EHADLO COc1cccc2c(N3CCC(Oc4ccccn4)CC3)cc[nH+]c12 ZINC000436450995 1025725842 /nfs/dbraw/zinc/72/58/42/1025725842.db2.gz KCRRCLWBVODUQC-UHFFFAOYSA-N 1 2 335.407 3.686 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000443098638 1025727247 /nfs/dbraw/zinc/72/72/47/1025727247.db2.gz AZMQPDJCBKGFAR-WBVHZDCISA-N 1 2 326.444 3.640 20 0 EHADLO COc1cccc2c(N[C@@H]3CCc4cn(C(C)C)nc4C3)cc[nH+]c12 ZINC000436455321 1025750861 /nfs/dbraw/zinc/75/08/61/1025750861.db2.gz IXSXQGQBWXDMQS-OAHLLOKOSA-N 1 2 336.439 3.990 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(F)ccc2Cl)C[C@@H]1c1ccccc1 ZINC000451280599 1025752175 /nfs/dbraw/zinc/75/21/75/1025752175.db2.gz HIYJIDWPEBZGNJ-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@H]1c1ccccc1 ZINC000451280599 1025752193 /nfs/dbraw/zinc/75/21/93/1025752193.db2.gz HIYJIDWPEBZGNJ-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO CC[C@@H](C)OCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425565914 1025761299 /nfs/dbraw/zinc/76/12/99/1025761299.db2.gz GWXCMBRGCCMLMH-CQSZACIVSA-N 1 2 327.428 3.640 20 0 EHADLO CC(C)C(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)C ZINC000515931828 1025764479 /nfs/dbraw/zinc/76/44/79/1025764479.db2.gz ATLPSNLRXTYDOX-UHFFFAOYSA-N 1 2 342.487 3.659 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451286211 1025766168 /nfs/dbraw/zinc/76/61/68/1025766168.db2.gz CNLGBTBXEMFCOH-MRXNPFEDSA-N 1 2 331.504 3.998 20 0 EHADLO CCCOc1cccc2c(NC[C@H]3CCCN(C(C)=O)C3)cc[nH+]c12 ZINC000281954879 1025777668 /nfs/dbraw/zinc/77/76/68/1025777668.db2.gz SKLNULLIURQLFT-MRXNPFEDSA-N 1 2 341.455 3.694 20 0 EHADLO CC(C)(C)C1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000530408151 1025777708 /nfs/dbraw/zinc/77/77/08/1025777708.db2.gz HAJWTPKGSZHRJJ-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c(F)c1 ZINC000530419528 1025789341 /nfs/dbraw/zinc/78/93/41/1025789341.db2.gz ZZKDWXYNSIOWKD-UHFFFAOYSA-N 1 2 339.389 3.835 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c(C)[nH+]1 ZINC000436489090 1025793107 /nfs/dbraw/zinc/79/31/07/1025793107.db2.gz FSAYHQIJXLQLLT-HNNXBMFYSA-N 1 2 338.455 3.879 20 0 EHADLO Brc1ccc(-c2nnc(C[NH2+]Cc3cccs3)[nH]2)cc1 ZINC000119735602 1025795627 /nfs/dbraw/zinc/79/56/27/1025795627.db2.gz SEGKHNCJEYWCBK-UHFFFAOYSA-N 1 2 349.257 3.586 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1Nc1ccccc1 ZINC000515984375 1025834770 /nfs/dbraw/zinc/83/47/70/1025834770.db2.gz JCWWGSFVKLQNNI-UHFFFAOYSA-N 1 2 334.423 3.837 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)s1 ZINC000303957740 1025849603 /nfs/dbraw/zinc/84/96/03/1025849603.db2.gz XZZOZZGZNWNNNR-DZGCQCFKSA-N 1 2 339.549 3.900 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)s1 ZINC000303957740 1025849625 /nfs/dbraw/zinc/84/96/25/1025849625.db2.gz XZZOZZGZNWNNNR-DZGCQCFKSA-N 1 2 339.549 3.900 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c2O1 ZINC000530458662 1025868962 /nfs/dbraw/zinc/86/89/62/1025868962.db2.gz MLCULNBNDROUHL-UHFFFAOYSA-N 1 2 333.391 3.838 20 0 EHADLO CCCOC1(c2noc(C[N@H+](C)[C@H]3CCSC3)n2)CCCCC1 ZINC000347312366 1025872664 /nfs/dbraw/zinc/87/26/64/1025872664.db2.gz CGZMIIQPTXXATR-AWEZNQCLSA-N 1 2 339.505 3.593 20 0 EHADLO CCCOC1(c2noc(C[N@@H+](C)[C@H]3CCSC3)n2)CCCCC1 ZINC000347312366 1025872669 /nfs/dbraw/zinc/87/26/69/1025872669.db2.gz CGZMIIQPTXXATR-AWEZNQCLSA-N 1 2 339.505 3.593 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000158381320 1025884168 /nfs/dbraw/zinc/88/41/68/1025884168.db2.gz DNIDWMCWKNFRBZ-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Br)s2)n1C1CC1 ZINC000443311161 1025896984 /nfs/dbraw/zinc/89/69/84/1025896984.db2.gz KVPRCPJEJZQHOV-MRVPVSSYSA-N 1 2 341.278 3.596 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312176 1025899407 /nfs/dbraw/zinc/89/94/07/1025899407.db2.gz NMPTZKJIFBNLDD-AWEZNQCLSA-N 1 2 334.435 3.576 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312176 1025899425 /nfs/dbraw/zinc/89/94/25/1025899425.db2.gz NMPTZKJIFBNLDD-AWEZNQCLSA-N 1 2 334.435 3.576 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccccc3)n2)CC2(CCCC2)O1 ZINC000443315668 1025900422 /nfs/dbraw/zinc/90/04/22/1025900422.db2.gz FCDRIVCHHZNHBM-UHFFFAOYSA-N 1 2 325.456 3.796 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC2(CCCC2)O1 ZINC000443315668 1025900436 /nfs/dbraw/zinc/90/04/36/1025900436.db2.gz FCDRIVCHHZNHBM-UHFFFAOYSA-N 1 2 325.456 3.796 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)[nH+]c1C ZINC000896910101 1025937042 /nfs/dbraw/zinc/93/70/42/1025937042.db2.gz LQEUIINMCOBIDH-GXTWGEPZSA-N 1 2 335.810 3.629 20 0 EHADLO Clc1cccc([C@H](NCc2c[nH+]c3n2CCC3)c2ccccn2)c1 ZINC000657398415 1025940490 /nfs/dbraw/zinc/94/04/90/1025940490.db2.gz KYJBVZHEZPNWAZ-IBGZPJMESA-N 1 2 338.842 3.757 20 0 EHADLO COc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000191157066 1025953438 /nfs/dbraw/zinc/95/34/38/1025953438.db2.gz BFJHCCKMVWRZRZ-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccccc1-c1noc([C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000191157066 1025953458 /nfs/dbraw/zinc/95/34/58/1025953458.db2.gz BFJHCCKMVWRZRZ-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000073134594 1025959770 /nfs/dbraw/zinc/95/97/70/1025959770.db2.gz NXIRJFJVYJWZBN-CQSZACIVSA-N 1 2 325.334 3.579 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000522092800 1025962803 /nfs/dbraw/zinc/96/28/03/1025962803.db2.gz PSYYBRSLYRGSMO-KBPBESRZSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000522092800 1025962811 /nfs/dbraw/zinc/96/28/11/1025962811.db2.gz PSYYBRSLYRGSMO-KBPBESRZSA-N 1 2 338.521 3.885 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)[nH+]c1C ZINC000896928794 1026078229 /nfs/dbraw/zinc/07/82/29/1026078229.db2.gz AOALPUPIBQIGLE-NSHDSACASA-N 1 2 336.439 3.563 20 0 EHADLO Cc1nc(C(C)C)oc1-c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821211 1026083173 /nfs/dbraw/zinc/08/31/73/1026083173.db2.gz PFMNYSVCDNOVLB-UHFFFAOYSA-N 1 2 349.394 3.933 20 0 EHADLO CSCCCCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896823256 1026094105 /nfs/dbraw/zinc/09/41/05/1026094105.db2.gz LXFHNVXZZTUPHP-UHFFFAOYSA-N 1 2 328.441 3.532 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC001141920032 1026094137 /nfs/dbraw/zinc/09/41/37/1026094137.db2.gz IWXSVRMSKUVYLG-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC001141920032 1026094151 /nfs/dbraw/zinc/09/41/51/1026094151.db2.gz IWXSVRMSKUVYLG-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CC[C@@H]1C[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCO1 ZINC000896823171 1026095701 /nfs/dbraw/zinc/09/57/01/1026095701.db2.gz KIBISLRBYLGNPY-DOTOQJQBSA-N 1 2 338.411 3.519 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000152437293 1026111059 /nfs/dbraw/zinc/11/10/59/1026111059.db2.gz BDKLJEHRKWBZLI-MRXNPFEDSA-N 1 2 347.418 3.760 20 0 EHADLO CO[C@](C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000192186896 1026117925 /nfs/dbraw/zinc/11/79/25/1026117925.db2.gz JMSSLYWGBRAOJY-IBGZPJMESA-N 1 2 339.370 3.512 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000475088056 1026147954 /nfs/dbraw/zinc/14/79/54/1026147954.db2.gz FRUBPPGGPMPWHK-HNNXBMFYSA-N 1 2 349.862 3.943 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000475088056 1026147957 /nfs/dbraw/zinc/14/79/57/1026147957.db2.gz FRUBPPGGPMPWHK-HNNXBMFYSA-N 1 2 349.862 3.943 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000511120091 1026204698 /nfs/dbraw/zinc/20/46/98/1026204698.db2.gz AVADUHBITGPAIF-INIZCTEOSA-N 1 2 334.529 3.999 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccnn3)no2)cc1 ZINC000897031898 1026243656 /nfs/dbraw/zinc/24/36/56/1026243656.db2.gz VIERGOXZOUMMKP-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccnn3)no2)cc1 ZINC000897031898 1026243670 /nfs/dbraw/zinc/24/36/70/1026243670.db2.gz VIERGOXZOUMMKP-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c(Cl)c1 ZINC000897037130 1026257801 /nfs/dbraw/zinc/25/78/01/1026257801.db2.gz GTQGGFYQLNPJHI-UHFFFAOYSA-N 1 2 339.760 3.924 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347358278 1026277355 /nfs/dbraw/zinc/27/73/55/1026277355.db2.gz SBFOSVBWFXETMC-LLVKDONJSA-N 1 2 348.288 3.746 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347358278 1026277366 /nfs/dbraw/zinc/27/73/66/1026277366.db2.gz SBFOSVBWFXETMC-LLVKDONJSA-N 1 2 348.288 3.746 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000657433018 1026289150 /nfs/dbraw/zinc/28/91/50/1026289150.db2.gz MYLQCBISDHRUBP-SJKOYZFVSA-N 1 2 349.377 3.602 20 0 EHADLO C[C@@]1(F)CCN(c2cc(N3CC[C@@](C)(F)C3)c3ccncc3[nH+]2)C1 ZINC000342562710 1026291061 /nfs/dbraw/zinc/29/10/61/1026291061.db2.gz XCNKIMJQEKSQHG-QZTJIDSGSA-N 1 2 332.398 3.506 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C[C@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091536 1026309318 /nfs/dbraw/zinc/30/93/18/1026309318.db2.gz UFRRDEAIWVFORA-JXFKEZNVSA-N 1 2 349.434 3.829 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C[C@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091536 1026309330 /nfs/dbraw/zinc/30/93/30/1026309330.db2.gz UFRRDEAIWVFORA-JXFKEZNVSA-N 1 2 349.434 3.829 20 0 EHADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000192703273 1026325905 /nfs/dbraw/zinc/32/59/05/1026325905.db2.gz LIQFOKNSNHRYNM-LLVKDONJSA-N 1 2 342.365 3.738 20 0 EHADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000192703273 1026325916 /nfs/dbraw/zinc/32/59/16/1026325916.db2.gz LIQFOKNSNHRYNM-LLVKDONJSA-N 1 2 342.365 3.738 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)N(C1CC1)C1CCCC1 ZINC000451841486 1026337172 /nfs/dbraw/zinc/33/71/72/1026337172.db2.gz DXAKKFHTQSXIFN-LJQANCHMSA-N 1 2 328.456 3.740 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)N(C1CC1)C1CCCC1 ZINC000451841486 1026337182 /nfs/dbraw/zinc/33/71/82/1026337182.db2.gz DXAKKFHTQSXIFN-LJQANCHMSA-N 1 2 328.456 3.740 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000451846217 1026338922 /nfs/dbraw/zinc/33/89/22/1026338922.db2.gz WESGYILUJHQNAK-ZWOKBUDYSA-N 1 2 342.483 3.988 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000451846217 1026338933 /nfs/dbraw/zinc/33/89/33/1026338933.db2.gz WESGYILUJHQNAK-ZWOKBUDYSA-N 1 2 342.483 3.988 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342579027 1026339887 /nfs/dbraw/zinc/33/98/87/1026339887.db2.gz OUTGIWHGHJSHJY-OAHLLOKOSA-N 1 2 337.427 3.928 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451876895 1026347233 /nfs/dbraw/zinc/34/72/33/1026347233.db2.gz GTJWVIYGROSHBV-LJQANCHMSA-N 1 2 348.450 3.650 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451876895 1026347247 /nfs/dbraw/zinc/34/72/47/1026347247.db2.gz GTJWVIYGROSHBV-LJQANCHMSA-N 1 2 348.450 3.650 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cscn1 ZINC000167832031 1026364611 /nfs/dbraw/zinc/36/46/11/1026364611.db2.gz MCZNWTXDXFQDBA-UHFFFAOYSA-N 1 2 337.246 3.887 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451964774 1026402045 /nfs/dbraw/zinc/40/20/45/1026402045.db2.gz LJVWDPAVRUAPLB-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO Cc1cc2cc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc2[nH]1 ZINC000122359437 1026419962 /nfs/dbraw/zinc/41/99/62/1026419962.db2.gz OQALKSUSZSIPMU-UHFFFAOYSA-N 1 2 349.438 3.793 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000451971683 1026427984 /nfs/dbraw/zinc/42/79/84/1026427984.db2.gz NIVHLOJXGRCDNX-ZDUSSCGKSA-N 1 2 343.324 3.959 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000451971683 1026427985 /nfs/dbraw/zinc/42/79/85/1026427985.db2.gz NIVHLOJXGRCDNX-ZDUSSCGKSA-N 1 2 343.324 3.959 20 0 EHADLO COc1ccccc1N1CCCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000897167153 1026428797 /nfs/dbraw/zinc/42/87/97/1026428797.db2.gz WXHJWRSTUZWGRP-UHFFFAOYSA-N 1 2 348.450 3.542 20 0 EHADLO COC[C@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000452035152 1026451121 /nfs/dbraw/zinc/45/11/21/1026451121.db2.gz GABKBOUFGOFFRV-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO COC[C@H]1CCCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000452035152 1026451122 /nfs/dbraw/zinc/45/11/22/1026451122.db2.gz GABKBOUFGOFFRV-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044268 1026454303 /nfs/dbraw/zinc/45/43/03/1026454303.db2.gz INNLZBYSMFCDNH-JNZVMSIHSA-N 1 2 336.277 3.668 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044268 1026454299 /nfs/dbraw/zinc/45/42/99/1026454299.db2.gz INNLZBYSMFCDNH-JNZVMSIHSA-N 1 2 336.277 3.668 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452061239 1026471240 /nfs/dbraw/zinc/47/12/40/1026471240.db2.gz OWVMCQQDSGYPRK-AWEZNQCLSA-N 1 2 337.514 3.717 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000610116648 1026536935 /nfs/dbraw/zinc/53/69/35/1026536935.db2.gz KJLFGXYOEOKSTI-CYBMUJFWSA-N 1 2 343.452 3.558 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1CC1CCCCC1 ZINC000475383290 1026544229 /nfs/dbraw/zinc/54/42/29/1026544229.db2.gz MAGSUPDFVMCUBE-SFHVURJKSA-N 1 2 340.471 3.979 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC=CCC3)n2)C1 ZINC000523023545 1026578293 /nfs/dbraw/zinc/57/82/93/1026578293.db2.gz OUUSAHUPZDZUKM-ZIAGYGMSSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC=CCC3)n2)C1 ZINC000523023545 1026578298 /nfs/dbraw/zinc/57/82/98/1026578298.db2.gz OUUSAHUPZDZUKM-ZIAGYGMSSA-N 1 2 334.489 3.605 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000475413694 1026588029 /nfs/dbraw/zinc/58/80/29/1026588029.db2.gz XODMQNIVBOGVPH-BBRMVZONSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000475413694 1026588033 /nfs/dbraw/zinc/58/80/33/1026588033.db2.gz XODMQNIVBOGVPH-BBRMVZONSA-N 1 2 336.501 3.822 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)ccn12 ZINC000563392787 1026592644 /nfs/dbraw/zinc/59/26/44/1026592644.db2.gz PXOPXDPMFNBLKG-YJBOKZPZSA-N 1 2 337.398 3.848 20 0 EHADLO c1cn(CCOc2ccccc2NCC2=Cc3ccccc3OC2)c[nH+]1 ZINC000122666480 1026640633 /nfs/dbraw/zinc/64/06/33/1026640633.db2.gz DQMHHGJSVVNAAN-UHFFFAOYSA-N 1 2 347.418 3.850 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000452333009 1026666360 /nfs/dbraw/zinc/66/63/60/1026666360.db2.gz OTJFQCVVAZMLQL-QGZVFWFLSA-N 1 2 339.483 3.648 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000452333009 1026666367 /nfs/dbraw/zinc/66/63/67/1026666367.db2.gz OTJFQCVVAZMLQL-QGZVFWFLSA-N 1 2 339.483 3.648 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531202018 1026683877 /nfs/dbraw/zinc/68/38/77/1026683877.db2.gz ZYOFBHDGCTYYTM-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531202018 1026683882 /nfs/dbraw/zinc/68/38/82/1026683882.db2.gz ZYOFBHDGCTYYTM-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531210345 1026690089 /nfs/dbraw/zinc/69/00/89/1026690089.db2.gz SHTKWMBKYJOUQR-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531210345 1026690095 /nfs/dbraw/zinc/69/00/95/1026690095.db2.gz SHTKWMBKYJOUQR-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452336100 1026691891 /nfs/dbraw/zinc/69/18/91/1026691891.db2.gz TVTXJUXZBNYGFL-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccc2c(c1)OCO2 ZINC000301272559 1026746021 /nfs/dbraw/zinc/74/60/21/1026746021.db2.gz VSSRPTDSMYQMBD-UONOGXRCSA-N 1 2 340.427 3.615 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccc2c(c1)OCO2 ZINC000301272559 1026746031 /nfs/dbraw/zinc/74/60/31/1026746031.db2.gz VSSRPTDSMYQMBD-UONOGXRCSA-N 1 2 340.427 3.615 20 0 EHADLO COc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000376086276 1026783175 /nfs/dbraw/zinc/78/31/75/1026783175.db2.gz YIMHXBMBISJRJG-UHFFFAOYSA-N 1 2 348.834 3.545 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000665653079 1026784815 /nfs/dbraw/zinc/78/48/15/1026784815.db2.gz XAFGGHPDFBQMTG-YTQUADARSA-N 1 2 325.456 3.752 20 0 EHADLO Cc1nc(-c2cccnc2)nc(NCCCCNc2cccc[nH+]2)c1C ZINC000301408186 1026795193 /nfs/dbraw/zinc/79/51/93/1026795193.db2.gz NFLKYORDFHLTMB-UHFFFAOYSA-N 1 2 348.454 3.855 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000531325962 1026814534 /nfs/dbraw/zinc/81/45/34/1026814534.db2.gz GWMNFTZUZLSIPX-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO CC(=O)Nc1cccc(OCCNc2[nH+]c3ccccc3cc2C)c1 ZINC000301559390 1026854520 /nfs/dbraw/zinc/85/45/20/1026854520.db2.gz JRVITOYAPAQABS-UHFFFAOYSA-N 1 2 335.407 3.993 20 0 EHADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1C ZINC001271560178 1026873404 /nfs/dbraw/zinc/87/34/04/1026873404.db2.gz IMBJOYYKLPXSDM-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1C ZINC001271560178 1026873411 /nfs/dbraw/zinc/87/34/11/1026873411.db2.gz IMBJOYYKLPXSDM-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301639555 1026885003 /nfs/dbraw/zinc/88/50/03/1026885003.db2.gz LSXIQIWEEHUQTE-CQSZACIVSA-N 1 2 347.484 3.509 20 0 EHADLO Cc1cc(N(C)Cc2cc(Br)cn2C)nc(C(C)C)[nH+]1 ZINC000301657864 1026890748 /nfs/dbraw/zinc/89/07/48/1026890748.db2.gz WAZJETLORAISGJ-UHFFFAOYSA-N 1 2 337.265 3.646 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301668323 1026893166 /nfs/dbraw/zinc/89/31/66/1026893166.db2.gz PIVKABYZTFVXPK-PSLXWICFSA-N 1 2 331.485 3.843 20 0 EHADLO CC(C)(C)c1nnc(NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000301698736 1026905768 /nfs/dbraw/zinc/90/57/68/1026905768.db2.gz RFUVAGLUHNRJPB-UHFFFAOYSA-N 1 2 331.489 3.833 20 0 EHADLO C[C@@H](CC1CCC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639660132 1026920480 /nfs/dbraw/zinc/92/04/80/1026920480.db2.gz SKDDJVBEBYYOIS-HNNXBMFYSA-N 1 2 342.443 3.662 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000301743361 1026923071 /nfs/dbraw/zinc/92/30/71/1026923071.db2.gz GBAXASBVZMHRAF-UHFFFAOYSA-N 1 2 345.365 3.623 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)c(C)[nH+]1 ZINC000301820666 1026951269 /nfs/dbraw/zinc/95/12/69/1026951269.db2.gz BCCCRQRDRWTIBB-MRXNPFEDSA-N 1 2 349.381 3.581 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301855425 1026965697 /nfs/dbraw/zinc/96/56/97/1026965697.db2.gz ASZJJSFAKXCYPL-ZDUSSCGKSA-N 1 2 330.395 3.571 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2nc(N)c3ccccc3[nH+]2)cc1OC ZINC000301871658 1026972861 /nfs/dbraw/zinc/97/28/61/1026972861.db2.gz IXIZETJSEDSQKV-LBPRGKRZSA-N 1 2 338.411 3.711 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(N2CCCC2)c1 ZINC000301909809 1026990618 /nfs/dbraw/zinc/99/06/18/1026990618.db2.gz RZLQVHQCKXAEKO-AWEZNQCLSA-N 1 2 333.439 3.985 20 0 EHADLO Nc1nc(NCc2c(F)cccc2OC(F)F)[nH+]c2ccccc12 ZINC000301917647 1026993422 /nfs/dbraw/zinc/99/34/22/1026993422.db2.gz WEVXZURFJGLIMN-UHFFFAOYSA-N 1 2 334.301 3.565 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000277808844 1027002299 /nfs/dbraw/zinc/00/22/99/1027002299.db2.gz YDUZGXIPJLZTCM-LFVRLGFBSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000277808844 1027002308 /nfs/dbraw/zinc/00/23/08/1027002308.db2.gz YDUZGXIPJLZTCM-LFVRLGFBSA-N 1 2 335.444 3.737 20 0 EHADLO CCc1ncnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1F ZINC000302004245 1027020229 /nfs/dbraw/zinc/02/02/29/1027020229.db2.gz RSQQZLNXJAJZRX-UHFFFAOYSA-N 1 2 329.423 3.566 20 0 EHADLO CN(Cc1cc(F)c(F)c(F)c1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302030424 1027029022 /nfs/dbraw/zinc/02/90/22/1027029022.db2.gz JVPTYVADTHZJAX-UHFFFAOYSA-N 1 2 349.360 3.635 20 0 EHADLO Cc1nc(NC2CCN(c3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000302093342 1027050216 /nfs/dbraw/zinc/05/02/16/1027050216.db2.gz NBGNWIAIOYKDMB-UHFFFAOYSA-N 1 2 328.485 3.806 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302193446 1027085725 /nfs/dbraw/zinc/08/57/25/1027085725.db2.gz COBSEWNFQJVFDP-MRXNPFEDSA-N 1 2 335.455 3.923 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(C)c(C)[nH+]1 ZINC000302391550 1027138551 /nfs/dbraw/zinc/13/85/51/1027138551.db2.gz JJWBJOAQXIMQQL-MRXNPFEDSA-N 1 2 335.810 3.772 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000531647588 1027141428 /nfs/dbraw/zinc/14/14/28/1027141428.db2.gz MTOJORQNJIFBCR-UHFFFAOYSA-N 1 2 344.455 3.515 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000531647588 1027141433 /nfs/dbraw/zinc/14/14/33/1027141433.db2.gz MTOJORQNJIFBCR-UHFFFAOYSA-N 1 2 344.455 3.515 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075534335 1027145644 /nfs/dbraw/zinc/14/56/44/1027145644.db2.gz PUIKVZJUODVYDI-WBVHZDCISA-N 1 2 341.455 3.707 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC12CCCCC2 ZINC000531669215 1027147970 /nfs/dbraw/zinc/14/79/70/1027147970.db2.gz FNGJIGGAZLLERW-INIZCTEOSA-N 1 2 339.439 3.871 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000075719121 1027162210 /nfs/dbraw/zinc/16/22/10/1027162210.db2.gz MIRNXZFUIUBWSC-BBRMVZONSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000075719121 1027162217 /nfs/dbraw/zinc/16/22/17/1027162217.db2.gz MIRNXZFUIUBWSC-BBRMVZONSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)c1 ZINC000272886841 1027163765 /nfs/dbraw/zinc/16/37/65/1027163765.db2.gz DDPLLETVQRVNEM-UHFFFAOYSA-N 1 2 339.395 3.681 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075553041 1027168445 /nfs/dbraw/zinc/16/84/45/1027168445.db2.gz ACYXKYCGMUISST-INIZCTEOSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1nccc(C)c1Br)CCC2 ZINC000342802410 1027184618 /nfs/dbraw/zinc/18/46/18/1027184618.db2.gz LYHLYPLVLOYZBL-LBPRGKRZSA-N 1 2 335.249 3.647 20 0 EHADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454217965 1027185877 /nfs/dbraw/zinc/18/58/77/1027185877.db2.gz JVKSRJIVQAQLLS-AZUAARDMSA-N 1 2 340.471 3.555 20 0 EHADLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1cccc(OC)c1 ZINC000075645652 1027188155 /nfs/dbraw/zinc/18/81/55/1027188155.db2.gz WLTCDJLXXRMXCD-NSHDSACASA-N 1 2 343.349 3.766 20 0 EHADLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1cccc(OC)c1 ZINC000075645652 1027188163 /nfs/dbraw/zinc/18/81/63/1027188163.db2.gz WLTCDJLXXRMXCD-NSHDSACASA-N 1 2 343.349 3.766 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438647 1027200657 /nfs/dbraw/zinc/20/06/57/1027200657.db2.gz IKGWUKHOJWWFGC-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438647 1027200672 /nfs/dbraw/zinc/20/06/72/1027200672.db2.gz IKGWUKHOJWWFGC-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO COc1cccc2c(NCC(=O)N(C)Cc3ccccc3)c(C)c[nH+]c12 ZINC000302599563 1027207277 /nfs/dbraw/zinc/20/72/77/1027207277.db2.gz BWQLKCDSMOAHMH-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000076053416 1027231251 /nfs/dbraw/zinc/23/12/51/1027231251.db2.gz FFUVBSVUEZBEDL-ZFWWWQNUSA-N 1 2 338.411 3.806 20 0 EHADLO CSc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126701227 1027233235 /nfs/dbraw/zinc/23/32/35/1027233235.db2.gz ZXXTUNWIUGEOMZ-LJQANCHMSA-N 1 2 345.464 3.566 20 0 EHADLO CSc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126701227 1027233251 /nfs/dbraw/zinc/23/32/51/1027233251.db2.gz ZXXTUNWIUGEOMZ-LJQANCHMSA-N 1 2 345.464 3.566 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076078137 1027238547 /nfs/dbraw/zinc/23/85/47/1027238547.db2.gz DWFFZVDAAJTESU-MRXNPFEDSA-N 1 2 340.471 3.796 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3ncc(C(F)(F)F)s3)CC2)c1 ZINC000302790695 1027291301 /nfs/dbraw/zinc/29/13/01/1027291301.db2.gz YOPXDCVVJUTXHJ-UHFFFAOYSA-N 1 2 345.365 3.623 20 0 EHADLO Fc1ccccc1CSCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302803113 1027299212 /nfs/dbraw/zinc/29/92/12/1027299212.db2.gz VDPZNULCXRJBIR-UHFFFAOYSA-N 1 2 332.448 3.561 20 0 EHADLO Fc1ccccc1CSCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302803113 1027299231 /nfs/dbraw/zinc/29/92/31/1027299231.db2.gz VDPZNULCXRJBIR-UHFFFAOYSA-N 1 2 332.448 3.561 20 0 EHADLO COc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OCCC(C)C ZINC000657567644 1027320550 /nfs/dbraw/zinc/32/05/50/1027320550.db2.gz DCBKAZFJSNKZJP-HOCLYGCPSA-N 1 2 344.459 3.507 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)c2ncnn21 ZINC000657568700 1027328361 /nfs/dbraw/zinc/32/83/61/1027328361.db2.gz JAOFYRQBUBNHGA-ZANVPECISA-N 1 2 347.216 3.582 20 0 EHADLO Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)CCC2 ZINC000302867584 1027333687 /nfs/dbraw/zinc/33/36/87/1027333687.db2.gz ZPJWIIDGYYKFOF-KRWDZBQOSA-N 1 2 340.496 3.828 20 0 EHADLO Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC000302867584 1027333704 /nfs/dbraw/zinc/33/37/04/1027333704.db2.gz ZPJWIIDGYYKFOF-KRWDZBQOSA-N 1 2 340.496 3.828 20 0 EHADLO CCCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127644764 1027335389 /nfs/dbraw/zinc/33/53/89/1027335389.db2.gz VXOGDNGNIBCLIZ-YJBOKZPZSA-N 1 2 326.444 3.951 20 0 EHADLO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000459292337 1027338661 /nfs/dbraw/zinc/33/86/61/1027338661.db2.gz DJLNHZFFLLVEFI-QGZVFWFLSA-N 1 2 330.815 3.859 20 0 EHADLO COC(=O)c1cccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000459292337 1027338673 /nfs/dbraw/zinc/33/86/73/1027338673.db2.gz DJLNHZFFLLVEFI-QGZVFWFLSA-N 1 2 330.815 3.859 20 0 EHADLO C[N@H+](CCOc1cccc(F)c1)Cc1nccn1Cc1ccccc1 ZINC000077195018 1027361353 /nfs/dbraw/zinc/36/13/53/1027361353.db2.gz OCPNYZHEMXISRU-UHFFFAOYSA-N 1 2 339.414 3.581 20 0 EHADLO C[N@@H+](CCOc1cccc(F)c1)Cc1nccn1Cc1ccccc1 ZINC000077195018 1027361374 /nfs/dbraw/zinc/36/13/74/1027361374.db2.gz OCPNYZHEMXISRU-UHFFFAOYSA-N 1 2 339.414 3.581 20 0 EHADLO CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454226005 1027418988 /nfs/dbraw/zinc/41/89/88/1027418988.db2.gz ROYIEYDRJKJPIG-IRXDYDNUSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496417 1027422007 /nfs/dbraw/zinc/42/20/07/1027422007.db2.gz PILFOLJXWJHCIO-GUYCJALGSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496417 1027422013 /nfs/dbraw/zinc/42/20/13/1027422013.db2.gz PILFOLJXWJHCIO-GUYCJALGSA-N 1 2 346.833 3.931 20 0 EHADLO Cc1cc(N[C@@H]2CC(C)(C)Oc3ccc(N)cc32)nc(C(C)C)[nH+]1 ZINC000420263970 1027424135 /nfs/dbraw/zinc/42/41/35/1027424135.db2.gz UGUBYSANCBRFCG-OAHLLOKOSA-N 1 2 326.444 3.627 20 0 EHADLO CCCC(=O)NC1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000628146280 1027451261 /nfs/dbraw/zinc/45/12/61/1027451261.db2.gz KIEUMPYQASWZTN-UHFFFAOYSA-N 1 2 334.407 3.648 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000077797619 1027476698 /nfs/dbraw/zinc/47/66/98/1027476698.db2.gz ALUXUBZVPCQEJA-IRXDYDNUSA-N 1 2 346.519 3.685 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536574358 1027485142 /nfs/dbraw/zinc/48/51/42/1027485142.db2.gz GPZNGSBBUKRZJZ-UONOGXRCSA-N 1 2 334.341 3.881 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000273582092 1027503407 /nfs/dbraw/zinc/50/34/07/1027503407.db2.gz HBPHHSXRRQGYSE-QWHCGFSZSA-N 1 2 346.500 3.956 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077977651 1027506488 /nfs/dbraw/zinc/50/64/88/1027506488.db2.gz UADIWZCBZQLKEY-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077977651 1027506494 /nfs/dbraw/zinc/50/64/94/1027506494.db2.gz UADIWZCBZQLKEY-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO FC(F)(F)c1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000342829634 1027518868 /nfs/dbraw/zinc/51/88/68/1027518868.db2.gz DRISDNNZBKXJSG-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000255542765 1027519909 /nfs/dbraw/zinc/51/99/09/1027519909.db2.gz WRXWGDXWZRGZJL-FMIVXFBMSA-N 1 2 331.218 3.795 20 0 EHADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc(SC)cc3Cl)no2)C1 ZINC000420487661 1027556266 /nfs/dbraw/zinc/55/62/66/1027556266.db2.gz MPHOJZCRAHPJIF-CYBMUJFWSA-N 1 2 339.848 3.505 20 0 EHADLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccc(SC)cc3Cl)no2)C1 ZINC000420487661 1027556282 /nfs/dbraw/zinc/55/62/82/1027556282.db2.gz MPHOJZCRAHPJIF-CYBMUJFWSA-N 1 2 339.848 3.505 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000342837354 1027563820 /nfs/dbraw/zinc/56/38/20/1027563820.db2.gz XHVXOJJVVVVJOB-SECBINFHSA-N 1 2 348.419 3.502 20 0 EHADLO Cc1ccccc1[C@H](c1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497667 1027566705 /nfs/dbraw/zinc/56/67/05/1027566705.db2.gz KQEOSNHFKMXUBV-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccccc1[C@H](c1noc([C@H]2C[N@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497667 1027566718 /nfs/dbraw/zinc/56/67/18/1027566718.db2.gz KQEOSNHFKMXUBV-QZTJIDSGSA-N 1 2 343.471 3.948 20 0 EHADLO CC(C)c1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129531695 1027572228 /nfs/dbraw/zinc/57/22/28/1027572228.db2.gz BJEDAXJQOBPAOH-UHFFFAOYSA-N 1 2 338.455 3.949 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc(C)c(C)n4)no3)[nH]c21 ZINC000420509951 1027578714 /nfs/dbraw/zinc/57/87/14/1027578714.db2.gz GHDUFLPNPLLWPS-UHFFFAOYSA-N 1 2 333.395 3.718 20 0 EHADLO CN1CC[N@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1Cc1ccccc1 ZINC000342840512 1027579145 /nfs/dbraw/zinc/57/91/45/1027579145.db2.gz NBMJNDJRMMAMLZ-SFHVURJKSA-N 1 2 341.524 3.769 20 0 EHADLO CN1CC[N@@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1Cc1ccccc1 ZINC000342840512 1027579156 /nfs/dbraw/zinc/57/91/56/1027579156.db2.gz NBMJNDJRMMAMLZ-SFHVURJKSA-N 1 2 341.524 3.769 20 0 EHADLO CCOCc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129608763 1027581293 /nfs/dbraw/zinc/58/12/93/1027581293.db2.gz YXOUHEIVQHHABC-QAPCUYQASA-N 1 2 342.443 3.535 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342845266 1027617278 /nfs/dbraw/zinc/61/72/78/1027617278.db2.gz XBOZXPWXVNUCHA-MGPUTAFESA-N 1 2 331.419 3.926 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1CCC1 ZINC000501866766 1027619711 /nfs/dbraw/zinc/61/97/11/1027619711.db2.gz ZTDVDJOBNCWBIP-CQSZACIVSA-N 1 2 347.455 3.558 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1CCC1 ZINC000501866766 1027619718 /nfs/dbraw/zinc/61/97/18/1027619718.db2.gz ZTDVDJOBNCWBIP-CQSZACIVSA-N 1 2 347.455 3.558 20 0 EHADLO Cc1nc(C(C)(C)NC(=O)NCc2cc(C)[nH+]c(C)c2)sc1C ZINC000422211290 1027641194 /nfs/dbraw/zinc/64/11/94/1027641194.db2.gz PVHHRZDZFACGQB-UHFFFAOYSA-N 1 2 332.473 3.506 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccco2)C2CCCC2)cc(C)[nH+]1 ZINC000422198372 1027643250 /nfs/dbraw/zinc/64/32/50/1027643250.db2.gz CEUQFJUJYMYAQN-UHFFFAOYSA-N 1 2 327.428 3.946 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2cccc(F)c2)C2CC2)cc(C)[nH+]1 ZINC000422211854 1027652087 /nfs/dbraw/zinc/65/20/87/1027652087.db2.gz QJQHMLLXUIGUOH-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO CCCOc1cccc2c(NC[C@@](C)(O)C(F)(F)F)cc[nH+]c12 ZINC000501982484 1027680055 /nfs/dbraw/zinc/68/00/55/1027680055.db2.gz KSHMUYOIYJWRDM-OAHLLOKOSA-N 1 2 328.334 3.749 20 0 EHADLO C[C@H](Cc1ccccc1F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000130586685 1027681235 /nfs/dbraw/zinc/68/12/35/1027681235.db2.gz AMOQMQIGTXFBRW-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO Cc1cc(-c2ccc(NCc3cc[nH+]c(N)c3)nn2)ccc1Cl ZINC001167617754 1027724421 /nfs/dbraw/zinc/72/44/21/1027724421.db2.gz ZFWSOJITXLTEBW-UHFFFAOYSA-N 1 2 325.803 3.695 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1sccc1Br ZINC000342864769 1027725863 /nfs/dbraw/zinc/72/58/63/1027725863.db2.gz QPLVUHAMAJKWIR-UHFFFAOYSA-N 1 2 328.279 3.538 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1sccc1Br ZINC000342864769 1027725883 /nfs/dbraw/zinc/72/58/83/1027725883.db2.gz QPLVUHAMAJKWIR-UHFFFAOYSA-N 1 2 328.279 3.538 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503394508 1027765272 /nfs/dbraw/zinc/76/52/72/1027765272.db2.gz SGRBPNYUPIDYQS-LIRRHRJNSA-N 1 2 338.842 3.946 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000420842138 1027783282 /nfs/dbraw/zinc/78/32/82/1027783282.db2.gz CYAHLXSTRZZRSZ-DZGCQCFKSA-N 1 2 343.393 3.866 20 0 EHADLO CC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(OC)cc1 ZINC000420845844 1027788015 /nfs/dbraw/zinc/78/80/15/1027788015.db2.gz IKZYMHIQVLOWRD-SFHVURJKSA-N 1 2 327.428 3.658 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc(C)[nH+]1 ZINC000420845942 1027788521 /nfs/dbraw/zinc/78/85/21/1027788521.db2.gz ISBVOANMNGRSKK-HNNXBMFYSA-N 1 2 345.393 3.676 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1C ZINC000420849610 1027790872 /nfs/dbraw/zinc/79/08/72/1027790872.db2.gz ODAJHYVMWYSSAT-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO COc1cccc(C[N@H+](C)[C@H](C)c2nc(-c3cccs3)no2)c1 ZINC000502151011 1027845642 /nfs/dbraw/zinc/84/56/42/1027845642.db2.gz VHIPNYIOMROSSS-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@H](C)c2nc(-c3cccs3)no2)c1 ZINC000502151011 1027845658 /nfs/dbraw/zinc/84/56/58/1027845658.db2.gz VHIPNYIOMROSSS-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc(C)[nH+]1 ZINC000420921565 1027870199 /nfs/dbraw/zinc/87/01/99/1027870199.db2.gz UZGNRMLCOGUDJH-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000248986114 1027877218 /nfs/dbraw/zinc/87/72/18/1027877218.db2.gz GIELVDSQFDIKJA-VQISRLSMSA-N 1 2 333.819 3.781 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503562842 1027878370 /nfs/dbraw/zinc/87/83/70/1027878370.db2.gz NXFKHCIXKCSMCC-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000503562842 1027878393 /nfs/dbraw/zinc/87/83/93/1027878393.db2.gz NXFKHCIXKCSMCC-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO FC(F)C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000420989422 1027948619 /nfs/dbraw/zinc/94/86/19/1027948619.db2.gz CHKRETRYSKLWML-HNNXBMFYSA-N 1 2 332.398 3.977 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ncc(-c2ccccc2)o1 ZINC000078538452 1027952577 /nfs/dbraw/zinc/95/25/77/1027952577.db2.gz JVWYNLCXMCMQLB-AWEZNQCLSA-N 1 2 348.406 3.532 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010054 1027963890 /nfs/dbraw/zinc/96/38/90/1027963890.db2.gz ITZTVLJWRMRJLQ-MCIONIFRSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000421010054 1027963909 /nfs/dbraw/zinc/96/39/09/1027963909.db2.gz ITZTVLJWRMRJLQ-MCIONIFRSA-N 1 2 337.464 3.554 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](CC(F)F)c2ccccc2)n1 ZINC000420991813 1027969208 /nfs/dbraw/zinc/96/92/08/1027969208.db2.gz JLFGWABYSUDFOH-LBPRGKRZSA-N 1 2 340.395 3.806 20 0 EHADLO FC(F)(F)Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000631159039 1027970322 /nfs/dbraw/zinc/97/03/22/1027970322.db2.gz NUOYKESNCZFDFH-UHFFFAOYSA-N 1 2 327.375 3.810 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C2(CCC2)C1 ZINC000420992113 1027970270 /nfs/dbraw/zinc/97/02/70/1027970270.db2.gz KAPJGVTYIRFOEY-ZDUSSCGKSA-N 1 2 344.680 3.982 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C2(CCC2)C1 ZINC000420992113 1027970286 /nfs/dbraw/zinc/97/02/86/1027970286.db2.gz KAPJGVTYIRFOEY-ZDUSSCGKSA-N 1 2 344.680 3.982 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](CC(F)F)c3ccccc3)nc(N)c2c1C ZINC000420992859 1027974486 /nfs/dbraw/zinc/97/44/86/1027974486.db2.gz LHQRHTNFJODYRC-CYBMUJFWSA-N 1 2 346.381 3.908 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@H](CC(F)F)c3ccccc3)n2)c1 ZINC000420995000 1027974778 /nfs/dbraw/zinc/97/47/78/1027974778.db2.gz OBHJBUSQWCCXNK-CQSZACIVSA-N 1 2 344.365 3.926 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002631 1027981702 /nfs/dbraw/zinc/98/17/02/1027981702.db2.gz DPTFCQYKLYHFFQ-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002631 1027981708 /nfs/dbraw/zinc/98/17/08/1027981708.db2.gz DPTFCQYKLYHFFQ-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(Br)ccc2F)n1 ZINC000353123068 1027996377 /nfs/dbraw/zinc/99/63/77/1027996377.db2.gz FYXMJIAPDBSWSC-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(Br)ccc2F)n1 ZINC000353123068 1027996390 /nfs/dbraw/zinc/99/63/90/1027996390.db2.gz FYXMJIAPDBSWSC-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000628170597 1028001017 /nfs/dbraw/zinc/00/10/17/1028001017.db2.gz FXIASMNJWGGNTO-JTQLQIEISA-N 1 2 325.181 3.566 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000628170597 1028001035 /nfs/dbraw/zinc/00/10/35/1028001035.db2.gz FXIASMNJWGGNTO-JTQLQIEISA-N 1 2 325.181 3.566 20 0 EHADLO COC(=O)c1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)c1 ZINC001213086018 1028029017 /nfs/dbraw/zinc/02/90/17/1028029017.db2.gz CZWIWVRRODPYQF-UHFFFAOYSA-N 1 2 328.759 3.655 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455321476 1028037051 /nfs/dbraw/zinc/03/70/51/1028037051.db2.gz AXOHNMVBBJIDOJ-OAHLLOKOSA-N 1 2 345.874 3.928 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2[C@H](C)CCC[C@H]2C)c1C ZINC000444592313 1028052247 /nfs/dbraw/zinc/05/22/47/1028052247.db2.gz ILXPWIHWMUSCRG-CHWSQXEVSA-N 1 2 333.476 3.673 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1)C1CC1 ZINC000078649907 1028057190 /nfs/dbraw/zinc/05/71/90/1028057190.db2.gz WDYUODLUIZQKIQ-UHFFFAOYSA-N 1 2 331.419 3.736 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1O ZINC000459372602 1028060982 /nfs/dbraw/zinc/06/09/82/1028060982.db2.gz KKTOFJYRZRPCKJ-QAPCUYQASA-N 1 2 327.424 3.753 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1O ZINC000459372602 1028060999 /nfs/dbraw/zinc/06/09/99/1028060999.db2.gz KKTOFJYRZRPCKJ-QAPCUYQASA-N 1 2 327.424 3.753 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503709169 1028090949 /nfs/dbraw/zinc/09/09/49/1028090949.db2.gz NMNVAXJIJCCTGZ-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503709169 1028090956 /nfs/dbraw/zinc/09/09/56/1028090956.db2.gz NMNVAXJIJCCTGZ-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CCCCCC1 ZINC000455363042 1028097830 /nfs/dbraw/zinc/09/78/30/1028097830.db2.gz GKRXIBUKVJXDKX-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO C[C@@H](C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646311 1028107616 /nfs/dbraw/zinc/10/76/16/1028107616.db2.gz SBXJBZWACBPWIM-DOTOQJQBSA-N 1 2 329.465 3.825 20 0 EHADLO C[C@@H](C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646311 1028107626 /nfs/dbraw/zinc/10/76/26/1028107626.db2.gz SBXJBZWACBPWIM-DOTOQJQBSA-N 1 2 329.465 3.825 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000502335205 1028122044 /nfs/dbraw/zinc/12/20/44/1028122044.db2.gz AXICGGRVWJYUPT-QXSWTLKVSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000502335205 1028122054 /nfs/dbraw/zinc/12/20/54/1028122054.db2.gz AXICGGRVWJYUPT-QXSWTLKVSA-N 1 2 341.373 3.600 20 0 EHADLO CC(C)c1cc(NC2CCN(c3ncccn3)CC2)nc(C(C)C)[nH+]1 ZINC000134633885 1028134158 /nfs/dbraw/zinc/13/41/58/1028134158.db2.gz YCBULLSWVMTVDJ-UHFFFAOYSA-N 1 2 340.475 3.594 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444693997 1028165550 /nfs/dbraw/zinc/16/55/50/1028165550.db2.gz IUMCZEMHQMUYCT-GXTWGEPZSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444693997 1028165557 /nfs/dbraw/zinc/16/55/57/1028165557.db2.gz IUMCZEMHQMUYCT-GXTWGEPZSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1(C(F)F)CC1 ZINC000503883929 1028197447 /nfs/dbraw/zinc/19/74/47/1028197447.db2.gz GMQYJECSBFCEGO-SECBINFHSA-N 1 2 347.203 3.554 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1cc(F)cc(F)c1 ZINC000444701590 1028177588 /nfs/dbraw/zinc/17/75/88/1028177588.db2.gz HLZFRYVXJDUSGI-YJBOKZPZSA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1cc(F)cc(F)c1 ZINC000444701590 1028177594 /nfs/dbraw/zinc/17/75/94/1028177594.db2.gz HLZFRYVXJDUSGI-YJBOKZPZSA-N 1 2 336.426 3.578 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712644 1028191348 /nfs/dbraw/zinc/19/13/48/1028191348.db2.gz ZSCZLHUXAUUVPQ-RYUDHWBXSA-N 1 2 331.386 3.514 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712644 1028191357 /nfs/dbraw/zinc/19/13/57/1028191357.db2.gz ZSCZLHUXAUUVPQ-RYUDHWBXSA-N 1 2 331.386 3.514 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000444734355 1028201217 /nfs/dbraw/zinc/20/12/17/1028201217.db2.gz NBUSDCJNLADBOX-GJZGRUSLSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000444734355 1028201223 /nfs/dbraw/zinc/20/12/23/1028201223.db2.gz NBUSDCJNLADBOX-GJZGRUSLSA-N 1 2 346.421 3.971 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000135571933 1028204781 /nfs/dbraw/zinc/20/47/81/1028204781.db2.gz IQJCFEDAEGFJQZ-OAHLLOKOSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000135571933 1028204798 /nfs/dbraw/zinc/20/47/98/1028204798.db2.gz IQJCFEDAEGFJQZ-OAHLLOKOSA-N 1 2 328.441 3.646 20 0 EHADLO FC(F)Oc1ccccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421221708 1028205127 /nfs/dbraw/zinc/20/51/27/1028205127.db2.gz ZXKBFYSNBXAOHZ-UHFFFAOYSA-N 1 2 349.377 3.699 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000135571950 1028205242 /nfs/dbraw/zinc/20/52/42/1028205242.db2.gz IQJCFEDAEGFJQZ-HNNXBMFYSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000135571950 1028205252 /nfs/dbraw/zinc/20/52/52/1028205252.db2.gz IQJCFEDAEGFJQZ-HNNXBMFYSA-N 1 2 328.441 3.646 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727115 1028218924 /nfs/dbraw/zinc/21/89/24/1028218924.db2.gz POFTVLVPHCDIRV-NQBHXWOUSA-N 1 2 334.382 3.668 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727115 1028218901 /nfs/dbraw/zinc/21/89/01/1028218901.db2.gz POFTVLVPHCDIRV-NQBHXWOUSA-N 1 2 334.382 3.668 20 0 EHADLO CCO[C@@H]1C[C@]([NH2+]CC[C@H]2CCC[C@@H](C)C2)(C(=O)OC)C1(C)C ZINC000444758955 1028220101 /nfs/dbraw/zinc/22/01/01/1028220101.db2.gz GXCICDLVIKEEBM-NNFUDEMPSA-N 1 2 325.493 3.539 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c(-c2ccccc2)n1 ZINC000342932131 1028221260 /nfs/dbraw/zinc/22/12/60/1028221260.db2.gz XZRIQRMLFUAKLV-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO Cn1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c(-c2ccccc2)n1 ZINC000342932131 1028221283 /nfs/dbraw/zinc/22/12/83/1028221283.db2.gz XZRIQRMLFUAKLV-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO COc1ccccc1C1(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455492231 1028225362 /nfs/dbraw/zinc/22/53/62/1028225362.db2.gz ZIVOILRVDCCGOB-UHFFFAOYSA-N 1 2 339.439 3.869 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000455495220 1028227809 /nfs/dbraw/zinc/22/78/09/1028227809.db2.gz FNZZRRCZIWCUIT-IBGZPJMESA-N 1 2 347.459 3.592 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000455494090 1028228397 /nfs/dbraw/zinc/22/83/97/1028228397.db2.gz MQNFDESZNNKMGB-PKOBYXMFSA-N 1 2 339.439 3.906 20 0 EHADLO COc1cccc(OCCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455498446 1028240294 /nfs/dbraw/zinc/24/02/94/1028240294.db2.gz REWFFABRULBZPY-UHFFFAOYSA-N 1 2 343.427 3.606 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCc3c(F)ccc(F)c3C2)c(C)[nH+]1 ZINC000455480086 1028244690 /nfs/dbraw/zinc/24/46/90/1028244690.db2.gz HFQGRKXZJWEEGE-UHFFFAOYSA-N 1 2 331.366 3.875 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2=CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000455491607 1028262699 /nfs/dbraw/zinc/26/26/99/1028262699.db2.gz YRIJOMIIGIKYIM-CVEARBPZSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502502168 1028263079 /nfs/dbraw/zinc/26/30/79/1028263079.db2.gz XQWANIJGVVEKTP-JKSUJKDBSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000502502168 1028263097 /nfs/dbraw/zinc/26/30/97/1028263097.db2.gz XQWANIJGVVEKTP-JKSUJKDBSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H]2CCSc3c(F)cccc32)nn1C ZINC000421320681 1028263644 /nfs/dbraw/zinc/26/36/44/1028263644.db2.gz AVSCVLGOZGZERZ-GFCCVEGCSA-N 1 2 325.840 3.848 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(C)[nH+]1 ZINC000455500501 1028272045 /nfs/dbraw/zinc/27/20/45/1028272045.db2.gz SYGNQDUGXVAKRR-FQEVSTJZSA-N 1 2 337.423 3.670 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000503963628 1028274394 /nfs/dbraw/zinc/27/43/94/1028274394.db2.gz PHALSJHFZJPKPS-CYBMUJFWSA-N 1 2 342.405 3.957 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423221111 1028288167 /nfs/dbraw/zinc/28/81/67/1028288167.db2.gz WGNRTTRKWYVRDH-IQUTYRLHSA-N 1 2 344.405 3.678 20 0 EHADLO CCCn1ccnc1CCCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455533820 1028309603 /nfs/dbraw/zinc/30/96/03/1028309603.db2.gz UKKOBOKBZXOHJV-UHFFFAOYSA-N 1 2 343.475 3.710 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682078 1028311177 /nfs/dbraw/zinc/31/11/77/1028311177.db2.gz UUOCMVRGADMNHD-CVEARBPZSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682078 1028311193 /nfs/dbraw/zinc/31/11/93/1028311193.db2.gz UUOCMVRGADMNHD-CVEARBPZSA-N 1 2 326.843 3.777 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000523439210 1028334754 /nfs/dbraw/zinc/33/47/54/1028334754.db2.gz OCIAERRFFNVJFP-OAHLLOKOSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000523439210 1028334765 /nfs/dbraw/zinc/33/47/65/1028334765.db2.gz OCIAERRFFNVJFP-OAHLLOKOSA-N 1 2 340.345 3.885 20 0 EHADLO CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000523458553 1028347179 /nfs/dbraw/zinc/34/71/79/1028347179.db2.gz LFWSHIZNTWWYFD-ZDUSSCGKSA-N 1 2 343.452 3.957 20 0 EHADLO Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000067556072 1028370883 /nfs/dbraw/zinc/37/08/83/1028370883.db2.gz DMJBDSYGDGGGGF-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO CC(C)(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000067592612 1028372260 /nfs/dbraw/zinc/37/22/60/1028372260.db2.gz UXSDHJOFDGNTLJ-UHFFFAOYSA-N 1 2 333.435 3.856 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000060464747 1028411541 /nfs/dbraw/zinc/41/15/41/1028411541.db2.gz WAOLVBGTJGJWCG-OAHLLOKOSA-N 1 2 339.468 3.678 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000060464747 1028411554 /nfs/dbraw/zinc/41/15/54/1028411554.db2.gz WAOLVBGTJGJWCG-OAHLLOKOSA-N 1 2 339.468 3.678 20 0 EHADLO CCCOCc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069066005 1028417471 /nfs/dbraw/zinc/41/74/71/1028417471.db2.gz OVZVZPVYMBXQQO-MRXNPFEDSA-N 1 2 344.455 3.515 20 0 EHADLO CCCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069066005 1028417482 /nfs/dbraw/zinc/41/74/82/1028417482.db2.gz OVZVZPVYMBXQQO-MRXNPFEDSA-N 1 2 344.455 3.515 20 0 EHADLO C[C@@H](OCCCNC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000069065878 1028418946 /nfs/dbraw/zinc/41/89/46/1028418946.db2.gz VIFFXJPJPMPMCR-DLBZAZTESA-N 1 2 344.455 3.557 20 0 EHADLO C[C@@H](OCCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000069065878 1028418953 /nfs/dbraw/zinc/41/89/53/1028418953.db2.gz VIFFXJPJPMPMCR-DLBZAZTESA-N 1 2 344.455 3.557 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3ccccc3F)C2)c[nH+]1 ZINC000455560841 1028455205 /nfs/dbraw/zinc/45/52/05/1028455205.db2.gz PWRYEQIMSMNLCP-OAHLLOKOSA-N 1 2 327.403 3.537 20 0 EHADLO C[N@H+](Cc1ccccc1F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605781 1028460816 /nfs/dbraw/zinc/46/08/16/1028460816.db2.gz RHPAMMPUFWFYJK-KRWDZBQOSA-N 1 2 332.806 3.716 20 0 EHADLO C[N@@H+](Cc1ccccc1F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605781 1028460828 /nfs/dbraw/zinc/46/08/28/1028460828.db2.gz RHPAMMPUFWFYJK-KRWDZBQOSA-N 1 2 332.806 3.716 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cn1 ZINC000628189508 1028497819 /nfs/dbraw/zinc/49/78/19/1028497819.db2.gz CQLGBOASRWRHKL-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C)c(Br)cn1 ZINC000628189508 1028497830 /nfs/dbraw/zinc/49/78/30/1028497830.db2.gz CQLGBOASRWRHKL-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000072979063 1028533595 /nfs/dbraw/zinc/53/35/95/1028533595.db2.gz IGHGKOXSCISAGR-QFIPXVFZSA-N 1 2 345.446 3.814 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc(C2CC2)[nH]n1 ZINC000194502690 1028535162 /nfs/dbraw/zinc/53/51/62/1028535162.db2.gz UDHUFYJHAKJEAX-UHFFFAOYSA-N 1 2 347.422 3.739 20 0 EHADLO Cc1cc(CNC(=O)CSCc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421561498 1028537383 /nfs/dbraw/zinc/53/73/83/1028537383.db2.gz STHGSHNUANDFGC-UHFFFAOYSA-N 1 2 334.872 3.901 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421560096 1028538095 /nfs/dbraw/zinc/53/80/95/1028538095.db2.gz QAHLJEQHBTWQPG-CQSZACIVSA-N 1 2 326.440 3.907 20 0 EHADLO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cc[nH+]c1 ZINC000073172339 1028543721 /nfs/dbraw/zinc/54/37/21/1028543721.db2.gz PXVIQQCPNSLYOR-UHFFFAOYSA-N 1 2 349.434 3.511 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475621458 1028544633 /nfs/dbraw/zinc/54/46/33/1028544633.db2.gz PNKHOFVUFKJNHI-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475621458 1028544639 /nfs/dbraw/zinc/54/46/39/1028544639.db2.gz PNKHOFVUFKJNHI-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c[nH+]1 ZINC000897336398 1028551682 /nfs/dbraw/zinc/55/16/82/1028551682.db2.gz WLEKEKPSOSQBJF-INIZCTEOSA-N 1 2 343.446 3.862 20 0 EHADLO Cc1cc(CNC(=O)c2cc3c(C(C)C)nn(C)c3s2)cc(C)[nH+]1 ZINC000421574122 1028569608 /nfs/dbraw/zinc/56/96/08/1028569608.db2.gz DFYYFTSOMHRONL-UHFFFAOYSA-N 1 2 342.468 3.700 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000421576397 1028573301 /nfs/dbraw/zinc/57/33/01/1028573301.db2.gz MFUXPLWOELUDHL-CVEARBPZSA-N 1 2 346.377 3.720 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)c1cccs1 ZINC000523791546 1028627373 /nfs/dbraw/zinc/62/73/73/1028627373.db2.gz FLUVXHCNBSDZSF-GOEBONIOSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)c1cccs1 ZINC000523791546 1028627381 /nfs/dbraw/zinc/62/73/81/1028627381.db2.gz FLUVXHCNBSDZSF-GOEBONIOSA-N 1 2 346.521 3.715 20 0 EHADLO COc1cc(C)c(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000237291174 1028647125 /nfs/dbraw/zinc/64/71/25/1028647125.db2.gz DDFOMCMNGASYKU-GFCCVEGCSA-N 1 2 333.432 3.544 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245462327 1028714069 /nfs/dbraw/zinc/71/40/69/1028714069.db2.gz GIVWLGIJXZYMJR-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc([C@H](C)OC)no2)cc1 ZINC000245462327 1028714079 /nfs/dbraw/zinc/71/40/79/1028714079.db2.gz GIVWLGIJXZYMJR-BBRMVZONSA-N 1 2 331.416 3.513 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454307431 1028749302 /nfs/dbraw/zinc/74/93/02/1028749302.db2.gz CRMAVMKBQLETAD-OAHLLOKOSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000122855927 1028755982 /nfs/dbraw/zinc/75/59/82/1028755982.db2.gz HYNKDFQFHCFUJC-XDWWLABZSA-N 1 2 335.407 3.752 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000255518427 1028780019 /nfs/dbraw/zinc/78/00/19/1028780019.db2.gz YYOAOYAYMBHETR-SIEMBAAWSA-N 1 2 337.467 3.613 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000247842014 1028818039 /nfs/dbraw/zinc/81/80/39/1028818039.db2.gz LFMKBLDMHRVDAX-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000247842014 1028818050 /nfs/dbraw/zinc/81/80/50/1028818050.db2.gz LFMKBLDMHRVDAX-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)cc1NC(C)=O ZINC000424156078 1028843797 /nfs/dbraw/zinc/84/37/97/1028843797.db2.gz NOCWIGMIBNALNH-UHFFFAOYSA-N 1 2 334.366 3.530 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2C(C)C)nn1-c1ccccc1Cl ZINC000424171338 1028868014 /nfs/dbraw/zinc/86/80/14/1028868014.db2.gz KPGDHTNJYLMYGR-UHFFFAOYSA-N 1 2 329.835 3.646 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3nc(C)ccc3c2)s1 ZINC000424205250 1028892098 /nfs/dbraw/zinc/89/20/98/1028892098.db2.gz UPFAXEWBDMXWLQ-GFCCVEGCSA-N 1 2 341.436 3.637 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000524127673 1028896772 /nfs/dbraw/zinc/89/67/72/1028896772.db2.gz FREJHBNVRUTVEQ-KRWDZBQOSA-N 1 2 332.488 3.556 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000445543564 1028905238 /nfs/dbraw/zinc/90/52/38/1028905238.db2.gz MIDSLAHNSKHYLY-HSZRJFAPSA-N 1 2 328.412 3.519 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502972353 1028910696 /nfs/dbraw/zinc/91/06/96/1028910696.db2.gz WJPDFWISTDTKKT-CQSZACIVSA-N 1 2 342.443 3.576 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502972353 1028910711 /nfs/dbraw/zinc/91/07/11/1028910711.db2.gz WJPDFWISTDTKKT-CQSZACIVSA-N 1 2 342.443 3.576 20 0 EHADLO C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000421928125 1028925569 /nfs/dbraw/zinc/92/55/69/1028925569.db2.gz VODAZIWRFPTKSL-UZLBHIALSA-N 1 2 341.430 3.593 20 0 EHADLO C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000421928123 1028925687 /nfs/dbraw/zinc/92/56/87/1028925687.db2.gz VODAZIWRFPTKSL-OXQOHEQNSA-N 1 2 341.430 3.593 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c(Cl)c1 ZINC000424296910 1028937642 /nfs/dbraw/zinc/93/76/42/1028937642.db2.gz YRKGYABZKSMXDP-CYBMUJFWSA-N 1 2 347.846 3.753 20 0 EHADLO COc1cccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475632025 1028948569 /nfs/dbraw/zinc/94/85/69/1028948569.db2.gz PRZAWFXHMGOFDE-HNNXBMFYSA-N 1 2 326.223 3.825 20 0 EHADLO COc1ccc2ccccc2c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414560558 1028966251 /nfs/dbraw/zinc/96/62/51/1028966251.db2.gz WWKPPTVZIBWCLA-UHFFFAOYSA-N 1 2 325.437 3.867 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000424326526 1028972374 /nfs/dbraw/zinc/97/23/74/1028972374.db2.gz MBDIHJPVRPJZSI-DTWKUNHWSA-N 1 2 326.368 3.620 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249217994 1028996501 /nfs/dbraw/zinc/99/65/01/1028996501.db2.gz BHNVYMSQBUQARY-ZFWWWQNUSA-N 1 2 331.485 3.738 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249217994 1028996510 /nfs/dbraw/zinc/99/65/10/1028996510.db2.gz BHNVYMSQBUQARY-ZFWWWQNUSA-N 1 2 331.485 3.738 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000123715220 1029005915 /nfs/dbraw/zinc/00/59/15/1029005915.db2.gz JBEYUUFQKBKUFZ-JTQLQIEISA-N 1 2 347.875 3.845 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCn1cc[nH+]c1 ZINC000434164815 1029008450 /nfs/dbraw/zinc/00/84/50/1029008450.db2.gz SQLBGFJJSRLHPV-LLVKDONJSA-N 1 2 338.238 3.726 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(Cl)s1)C1CC1 ZINC000076606303 1029019847 /nfs/dbraw/zinc/01/98/47/1029019847.db2.gz WVHALQFJCHZSTP-NSHDSACASA-N 1 2 326.893 3.623 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(Cl)s1)C1CC1 ZINC000076606303 1029019861 /nfs/dbraw/zinc/01/98/61/1029019861.db2.gz WVHALQFJCHZSTP-NSHDSACASA-N 1 2 326.893 3.623 20 0 EHADLO C[C@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925914 1029052448 /nfs/dbraw/zinc/05/24/48/1029052448.db2.gz CLPYOIQLDVWJJM-LPHOPBHVSA-N 1 2 338.451 3.866 20 0 EHADLO C[C@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925914 1029052464 /nfs/dbraw/zinc/05/24/64/1029052464.db2.gz CLPYOIQLDVWJJM-LPHOPBHVSA-N 1 2 338.451 3.866 20 0 EHADLO Cc1cccnc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000356796195 1029085981 /nfs/dbraw/zinc/08/59/81/1029085981.db2.gz IFULTADQRGLVDK-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cs1 ZINC000343089852 1029102771 /nfs/dbraw/zinc/10/27/71/1029102771.db2.gz DQWSHBWLICIMTB-UHFFFAOYSA-N 1 2 346.374 3.520 20 0 EHADLO CN1CC[N@H+](Cc2ccc(Br)s2)Cc2ccccc21 ZINC000524361800 1029116184 /nfs/dbraw/zinc/11/61/84/1029116184.db2.gz SVTRQNPONJMHNK-UHFFFAOYSA-N 1 2 337.286 3.963 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(Br)s2)Cc2ccccc21 ZINC000524361800 1029116192 /nfs/dbraw/zinc/11/61/92/1029116192.db2.gz SVTRQNPONJMHNK-UHFFFAOYSA-N 1 2 337.286 3.963 20 0 EHADLO CCC(CC)(NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000524372116 1029135302 /nfs/dbraw/zinc/13/53/02/1029135302.db2.gz KKXUUNSMSVYQGX-AWEZNQCLSA-N 1 2 348.878 3.940 20 0 EHADLO O=C(c1ccc(CSc2ccccc2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000524400137 1029145766 /nfs/dbraw/zinc/14/57/66/1029145766.db2.gz DVLYFMPOLHSKFC-UHFFFAOYSA-N 1 2 349.459 3.873 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c2ccccc2n1 ZINC000154373176 1029152314 /nfs/dbraw/zinc/15/23/14/1029152314.db2.gz HGZWDLQOIYIIRD-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c2ccccc2n1 ZINC000154373176 1029152335 /nfs/dbraw/zinc/15/23/35/1029152335.db2.gz HGZWDLQOIYIIRD-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2cccc(F)c2O1 ZINC000445797214 1029154868 /nfs/dbraw/zinc/15/48/68/1029154868.db2.gz HHHXCYNOSBVKMB-HNNXBMFYSA-N 1 2 337.398 3.858 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[C@H](F)C3)n2)CC1 ZINC000424600086 1029159137 /nfs/dbraw/zinc/15/91/37/1029159137.db2.gz CEUKNXAYSSLWIZ-KBPBESRZSA-N 1 2 339.480 3.842 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCCC[C@H]1c1ccccc1 ZINC000079769730 1029167366 /nfs/dbraw/zinc/16/73/66/1029167366.db2.gz FWRUGLUXIWSABA-IBGZPJMESA-N 1 2 340.471 3.990 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1-c1ccccc1 ZINC000614985070 1029191153 /nfs/dbraw/zinc/19/11/53/1029191153.db2.gz ZFIGWRITGJQQFQ-IAGOWNOFSA-N 1 2 332.407 3.533 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000424638567 1029198916 /nfs/dbraw/zinc/19/89/16/1029198916.db2.gz KJCSTNIZEZBMBK-WMZOPIPTSA-N 1 2 325.456 3.693 20 0 EHADLO CSCCc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454689370 1029203911 /nfs/dbraw/zinc/20/39/11/1029203911.db2.gz OSGNCYJVIIPANV-UHFFFAOYSA-N 1 2 329.469 3.926 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[C@H](F)C1 ZINC000424614194 1029204609 /nfs/dbraw/zinc/20/46/09/1029204609.db2.gz VWRLNRKSJFTENU-STQMWFEESA-N 1 2 325.453 3.596 20 0 EHADLO CCC(CC)n1nc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1C ZINC000271862769 1029205104 /nfs/dbraw/zinc/20/51/04/1029205104.db2.gz FGADEWCUKCUADL-UHFFFAOYSA-N 1 2 325.416 3.761 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000424653239 1029216295 /nfs/dbraw/zinc/21/62/95/1029216295.db2.gz XNMPBAVDDOIQLP-MDZRGWNJSA-N 1 2 330.472 3.845 20 0 EHADLO CC1(C)CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000161606469 1029256722 /nfs/dbraw/zinc/25/67/22/1029256722.db2.gz UIURXYFCKLMQEK-MRXNPFEDSA-N 1 2 329.488 3.905 20 0 EHADLO c1cn2c(cccc2CNc2ccccc2OC[C@H]2CCCCO2)[nH+]1 ZINC000272020094 1029273600 /nfs/dbraw/zinc/27/36/00/1029273600.db2.gz XHRSJCVKMYKLAS-QGZVFWFLSA-N 1 2 337.423 3.894 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454759897 1029281745 /nfs/dbraw/zinc/28/17/45/1029281745.db2.gz NSEXLSIQUHOAGM-HNNXBMFYSA-N 1 2 344.459 3.908 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)no1 ZINC000191970274 1029323283 /nfs/dbraw/zinc/32/32/83/1029323283.db2.gz SWKHLVPRUCRXEK-MJGOQNOKSA-N 1 2 335.407 3.665 20 0 EHADLO CC(C)CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000154841437 1029336788 /nfs/dbraw/zinc/33/67/88/1029336788.db2.gz GPZDECQYHHESND-UHFFFAOYSA-N 1 2 330.472 3.674 20 0 EHADLO CCc1ccc(CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C2CC2)cc1 ZINC000272189235 1029353669 /nfs/dbraw/zinc/35/36/69/1029353669.db2.gz FBRLQPRSEHRUBO-UHFFFAOYSA-N 1 2 346.434 3.635 20 0 EHADLO Cc1cccc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)c1C ZINC001211571148 1029355843 /nfs/dbraw/zinc/35/58/43/1029355843.db2.gz LSKTTYXOBWECRY-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1cccc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)c1C ZINC001211571148 1029355860 /nfs/dbraw/zinc/35/58/60/1029355860.db2.gz LSKTTYXOBWECRY-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccncc1[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000272197476 1029356260 /nfs/dbraw/zinc/35/62/60/1029356260.db2.gz AVXLVJIFOAOYHL-JYJNAYRXSA-N 1 2 326.444 3.572 20 0 EHADLO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1-c1ccc(F)cc1 ZINC000446065457 1029358859 /nfs/dbraw/zinc/35/88/59/1029358859.db2.gz YBKYIYACUFRJIH-GFCCVEGCSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1sc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1-c1ccc(F)cc1 ZINC000446065457 1029358863 /nfs/dbraw/zinc/35/88/63/1029358863.db2.gz YBKYIYACUFRJIH-GFCCVEGCSA-N 1 2 332.444 3.639 20 0 EHADLO FC(F)(F)c1csc(C[NH2+]Cc2cccc3c2NCCC3)n1 ZINC000894293124 1029360926 /nfs/dbraw/zinc/36/09/26/1029360926.db2.gz QYECLQQTLYFCLX-UHFFFAOYSA-N 1 2 327.375 3.810 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455582528 1029361764 /nfs/dbraw/zinc/36/17/64/1029361764.db2.gz ZETBIDZNDGGJHJ-SFHVURJKSA-N 1 2 341.455 4.000 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000424820945 1029364877 /nfs/dbraw/zinc/36/48/77/1029364877.db2.gz MBJYAWQLZROXSF-NUJGCVRESA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000255513177 1029369264 /nfs/dbraw/zinc/36/92/64/1029369264.db2.gz WAIQPXUTCMFCFU-HIZXUYSRSA-N 1 2 349.478 3.780 20 0 EHADLO COc1c(O)cccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000272227802 1029369863 /nfs/dbraw/zinc/36/98/63/1029369863.db2.gz DHCJLEYTFNUIAV-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO COc1c(O)cccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000272227802 1029369879 /nfs/dbraw/zinc/36/98/79/1029369879.db2.gz DHCJLEYTFNUIAV-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO CC(C)n1cc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cn1 ZINC000272232380 1029373045 /nfs/dbraw/zinc/37/30/45/1029373045.db2.gz HXMBGJNMMFXMOI-OAGGEKHMSA-N 1 2 343.475 3.646 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000272236098 1029373962 /nfs/dbraw/zinc/37/39/62/1029373962.db2.gz FOPKMXGRSVOHEI-SCLBCKFNSA-N 1 2 331.387 3.502 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000272236098 1029373975 /nfs/dbraw/zinc/37/39/75/1029373975.db2.gz FOPKMXGRSVOHEI-SCLBCKFNSA-N 1 2 331.387 3.502 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCO[C@H](CC)C1 ZINC000524638077 1029374840 /nfs/dbraw/zinc/37/48/40/1029374840.db2.gz GRCOGKCYACUGQL-OAHLLOKOSA-N 1 2 342.439 3.644 20 0 EHADLO FC(F)(F)c1cc2ncc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cn2n1 ZINC001213087592 1029385182 /nfs/dbraw/zinc/38/51/82/1029385182.db2.gz UOPGSISAZDMUKX-UHFFFAOYSA-N 1 2 344.300 3.882 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1O ZINC000272268842 1029388095 /nfs/dbraw/zinc/38/80/95/1029388095.db2.gz AUUBXZNBFCGFDJ-SWLSCSKDSA-N 1 2 337.414 3.660 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1O ZINC000272268842 1029388109 /nfs/dbraw/zinc/38/81/09/1029388109.db2.gz AUUBXZNBFCGFDJ-SWLSCSKDSA-N 1 2 337.414 3.660 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[C@@H](F)C1 ZINC000424855012 1029389363 /nfs/dbraw/zinc/38/93/63/1029389363.db2.gz SLPJFTWWMAKYBE-QWHCGFSZSA-N 1 2 335.810 3.670 20 0 EHADLO [NH3+][C@@H](c1nc(-c2cccc(F)c2)no1)c1ccc(Br)cc1 ZINC001212090803 1029390683 /nfs/dbraw/zinc/39/06/83/1029390683.db2.gz BLUQRGWWRKOCTE-CYBMUJFWSA-N 1 2 348.175 3.686 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccnc1Cl ZINC000272279197 1029393229 /nfs/dbraw/zinc/39/32/29/1029393229.db2.gz QCHPXFAJPIIAOT-HZSPNIEDSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)[NH+]1CCSCC1 ZINC000343136583 1029395429 /nfs/dbraw/zinc/39/54/29/1029395429.db2.gz LBUUYZGNITWXJW-CYBMUJFWSA-N 1 2 340.448 3.962 20 0 EHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccccc1 ZINC000505248440 1029404173 /nfs/dbraw/zinc/40/41/73/1029404173.db2.gz BGIPLCXTUUQNHS-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccccc1 ZINC000505248440 1029404181 /nfs/dbraw/zinc/40/41/81/1029404181.db2.gz BGIPLCXTUUQNHS-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454878752 1029426347 /nfs/dbraw/zinc/42/63/47/1029426347.db2.gz XDFCZHPJDFIDTB-HIFRSBDPSA-N 1 2 343.858 3.851 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OCC(F)F)cc2)c[nH+]1 ZINC000454908281 1029433581 /nfs/dbraw/zinc/43/35/81/1029433581.db2.gz QFLDXCCDIHESCW-UHFFFAOYSA-N 1 2 335.354 3.664 20 0 EHADLO COCC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(C)o1 ZINC000272394699 1029444077 /nfs/dbraw/zinc/44/40/77/1029444077.db2.gz ZRUSJLSNPDUZID-HNNXBMFYSA-N 1 2 343.452 3.974 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000272456199 1029467530 /nfs/dbraw/zinc/46/75/30/1029467530.db2.gz XGBHFJJSYRWTLK-OAHLLOKOSA-N 1 2 348.450 3.751 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1ccccc1 ZINC000272477759 1029474696 /nfs/dbraw/zinc/47/46/96/1029474696.db2.gz QIZGKDRRCZSGCZ-PKOBYXMFSA-N 1 2 344.455 3.557 20 0 EHADLO CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCOCC1 ZINC000272497163 1029484460 /nfs/dbraw/zinc/48/44/60/1029484460.db2.gz WQFUQYXHNSHWMT-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155280486 1029492095 /nfs/dbraw/zinc/49/20/95/1029492095.db2.gz ULZMENYNWICCLT-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155280486 1029492100 /nfs/dbraw/zinc/49/21/00/1029492100.db2.gz ULZMENYNWICCLT-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2ccc(Cl)c(C)c2)c[nH+]1 ZINC000454979968 1029504870 /nfs/dbraw/zinc/50/48/70/1029504870.db2.gz LCZRYDIKOLECJI-UHFFFAOYSA-N 1 2 331.847 3.702 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000446235210 1029516347 /nfs/dbraw/zinc/51/63/47/1029516347.db2.gz RCWJSYUDVLYKRG-INIZCTEOSA-N 1 2 344.503 3.792 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@@H+]2CCC[C@H]2C2CC2)C1=O ZINC000728560204 1029518697 /nfs/dbraw/zinc/51/86/97/1029518697.db2.gz OLSNMEYQKZDPHN-IBGZPJMESA-N 1 2 346.430 3.715 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@H+]2CCC[C@H]2C2CC2)C1=O ZINC000728560204 1029518711 /nfs/dbraw/zinc/51/87/11/1029518711.db2.gz OLSNMEYQKZDPHN-IBGZPJMESA-N 1 2 346.430 3.715 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000533252327 1029530879 /nfs/dbraw/zinc/53/08/79/1029530879.db2.gz NJUSBPHTZSEVLZ-VBKZILBWSA-N 1 2 344.455 3.546 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000533252327 1029530888 /nfs/dbraw/zinc/53/08/88/1029530888.db2.gz NJUSBPHTZSEVLZ-VBKZILBWSA-N 1 2 344.455 3.546 20 0 EHADLO Cc1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)o1 ZINC000583289255 1029566152 /nfs/dbraw/zinc/56/61/52/1029566152.db2.gz RANFHSSMXHLJKK-INIZCTEOSA-N 1 2 341.436 3.776 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cc(=O)[nH]c(C3CC3)n2)c1C ZINC000583312389 1029615939 /nfs/dbraw/zinc/61/59/39/1029615939.db2.gz UCUSXYNGXOWJHF-UHFFFAOYSA-N 1 2 331.441 3.513 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1ccc(Oc2nccs2)cc1 ZINC001126623631 1029651038 /nfs/dbraw/zinc/65/10/38/1029651038.db2.gz LMNOUIDSFAOAEK-UHFFFAOYSA-N 1 2 329.381 3.518 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000525063967 1029665092 /nfs/dbraw/zinc/66/50/92/1029665092.db2.gz NZGGMBZGUCOAKO-OAHLLOKOSA-N 1 2 345.874 3.844 20 0 EHADLO CC(C)C(C)(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000583343850 1029679810 /nfs/dbraw/zinc/67/98/10/1029679810.db2.gz MIMKNFDQKXHUIW-CYBMUJFWSA-N 1 2 338.521 3.931 20 0 EHADLO CC(C)C(C)(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000583343850 1029679812 /nfs/dbraw/zinc/67/98/12/1029679812.db2.gz MIMKNFDQKXHUIW-CYBMUJFWSA-N 1 2 338.521 3.931 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126387967 1029714857 /nfs/dbraw/zinc/71/48/57/1029714857.db2.gz XKXAAHBCESAJDO-PRDNVKDRSA-N 1 2 329.831 3.659 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1 ZINC000545134461 1029723166 /nfs/dbraw/zinc/72/31/66/1029723166.db2.gz VUUFLEUYULPZTK-VXGBXAGGSA-N 1 2 349.221 3.972 20 0 EHADLO c1ccc(CC[N@H+](Cc2nnc(C3CC3)[nH]2)Cc2ccccc2)cc1 ZINC000347393867 1029724633 /nfs/dbraw/zinc/72/46/33/1029724633.db2.gz ADZOCGRBMMVIRZ-UHFFFAOYSA-N 1 2 332.451 3.927 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nnc(C3CC3)[nH]2)Cc2ccccc2)cc1 ZINC000347393867 1029724641 /nfs/dbraw/zinc/72/46/41/1029724641.db2.gz ADZOCGRBMMVIRZ-UHFFFAOYSA-N 1 2 332.451 3.927 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000583397134 1029761198 /nfs/dbraw/zinc/76/11/98/1029761198.db2.gz ILXHZJKLZPOBGQ-PXNSSMCTSA-N 1 2 339.483 3.876 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000536010773 1029762774 /nfs/dbraw/zinc/76/27/74/1029762774.db2.gz CYTIWMFWWXSMOE-UHFFFAOYSA-N 1 2 326.425 3.784 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000509686777 1029765818 /nfs/dbraw/zinc/76/58/18/1029765818.db2.gz SJQWJHDWNMDBFB-JXFKEZNVSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000509686777 1029765822 /nfs/dbraw/zinc/76/58/22/1029765822.db2.gz SJQWJHDWNMDBFB-JXFKEZNVSA-N 1 2 339.435 3.730 20 0 EHADLO CC(C)=CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000508705613 1029768473 /nfs/dbraw/zinc/76/84/73/1029768473.db2.gz DTODBKPJPUYBSZ-UHFFFAOYSA-N 1 2 338.451 3.519 20 0 EHADLO CC(C)=CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000508705613 1029768481 /nfs/dbraw/zinc/76/84/81/1029768481.db2.gz DTODBKPJPUYBSZ-UHFFFAOYSA-N 1 2 338.451 3.519 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+](C)CCOCC3CC3)o2)cc1C ZINC000446730802 1029776627 /nfs/dbraw/zinc/77/66/27/1029776627.db2.gz ZZTVZXHYOPOZTQ-UHFFFAOYSA-N 1 2 335.473 3.527 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+](C)CCOCC3CC3)o2)cc1C ZINC000446730802 1029776632 /nfs/dbraw/zinc/77/66/32/1029776632.db2.gz ZZTVZXHYOPOZTQ-UHFFFAOYSA-N 1 2 335.473 3.527 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@@]1(CC)C(C)C ZINC000455636272 1029788594 /nfs/dbraw/zinc/78/85/94/1029788594.db2.gz XVVKIIVIOWDLRS-APWZRJJASA-N 1 2 334.508 3.692 20 0 EHADLO CCC[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OCC ZINC000533788287 1029829627 /nfs/dbraw/zinc/82/96/27/1029829627.db2.gz AYLSLNNHJYDBHL-GOSISDBHSA-N 1 2 339.439 3.746 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127087583 1029831393 /nfs/dbraw/zinc/83/13/93/1029831393.db2.gz ORGVNQSZOVAJTN-RHSMWYFYSA-N 1 2 326.444 3.869 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000446937276 1029860002 /nfs/dbraw/zinc/86/00/02/1029860002.db2.gz CTIRGXDYWLVHTL-CHWSQXEVSA-N 1 2 325.441 3.715 20 0 EHADLO O=C([C@@H]1CCCc2sccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817782 1029865215 /nfs/dbraw/zinc/86/52/15/1029865215.db2.gz FGHOBZWHNGDBCR-MRXNPFEDSA-N 1 2 346.521 3.574 20 0 EHADLO FC(F)(F)C1=CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000536040607 1029881322 /nfs/dbraw/zinc/88/13/22/1029881322.db2.gz XZQWRFBMPBMYAO-UHFFFAOYSA-N 1 2 333.737 3.806 20 0 EHADLO FC(F)(F)C1=CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000536040607 1029881329 /nfs/dbraw/zinc/88/13/29/1029881329.db2.gz XZQWRFBMPBMYAO-UHFFFAOYSA-N 1 2 333.737 3.806 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000583483622 1029895182 /nfs/dbraw/zinc/89/51/82/1029895182.db2.gz OPGLVBRKROPSQF-HNNXBMFYSA-N 1 2 346.519 3.933 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N(C)Cc1cn2c(n1)CCCC2 ZINC000428686222 1029896847 /nfs/dbraw/zinc/89/68/47/1029896847.db2.gz TURXPKOLJMIKRO-UHFFFAOYSA-N 1 2 336.439 3.721 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455770202 1029914800 /nfs/dbraw/zinc/91/48/00/1029914800.db2.gz KORJZTKAQVAEGA-GFCCVEGCSA-N 1 2 334.370 3.553 20 0 EHADLO Cc1cccnc1CCc1noc([C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000453220629 1029931496 /nfs/dbraw/zinc/93/14/96/1029931496.db2.gz JHDKZCBLKBPVKX-INIZCTEOSA-N 1 2 336.439 3.751 20 0 EHADLO Cc1cccnc1CCc1noc([C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000453220629 1029931511 /nfs/dbraw/zinc/93/15/11/1029931511.db2.gz JHDKZCBLKBPVKX-INIZCTEOSA-N 1 2 336.439 3.751 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000151019969 1029948972 /nfs/dbraw/zinc/94/89/72/1029948972.db2.gz AXEDWINUWLMHBQ-KRWDZBQOSA-N 1 2 339.483 3.589 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2cccnc2)cc1 ZINC000151019969 1029948985 /nfs/dbraw/zinc/94/89/85/1029948985.db2.gz AXEDWINUWLMHBQ-KRWDZBQOSA-N 1 2 339.483 3.589 20 0 EHADLO COc1cccc(Cl)c1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000156715816 1029977517 /nfs/dbraw/zinc/97/75/17/1029977517.db2.gz HPCMIDYGPNVJEI-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000583528746 1030041337 /nfs/dbraw/zinc/04/13/37/1030041337.db2.gz KIJPBLICEVARKC-CYBMUJFWSA-N 1 2 342.455 3.779 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)c(Br)c1 ZINC000157748666 1030042453 /nfs/dbraw/zinc/04/24/53/1030042453.db2.gz QFFARUKFGMAXPC-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120590397 1030070809 /nfs/dbraw/zinc/07/08/09/1030070809.db2.gz CFADUQYWBYNTNL-LJQANCHMSA-N 1 2 338.451 3.602 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1O ZINC000156881178 1030092107 /nfs/dbraw/zinc/09/21/07/1030092107.db2.gz ZQGXZYKFKCWZTB-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1O ZINC000156881178 1030092127 /nfs/dbraw/zinc/09/21/27/1030092127.db2.gz ZQGXZYKFKCWZTB-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453316006 1030093044 /nfs/dbraw/zinc/09/30/44/1030093044.db2.gz HXGJVQMZNKRAAG-KXBFYZLASA-N 1 2 348.487 3.532 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1nccn1CC)CCC2 ZINC000453335837 1030116417 /nfs/dbraw/zinc/11/64/17/1030116417.db2.gz DXBGQAICFNBCCF-KBPBESRZSA-N 1 2 345.443 3.709 20 0 EHADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090530038 1030135871 /nfs/dbraw/zinc/13/58/71/1030135871.db2.gz RQHRSGWXMBIBCT-KBPBESRZSA-N 1 2 348.468 3.508 20 0 EHADLO CCN(CC)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447384852 1030153443 /nfs/dbraw/zinc/15/34/43/1030153443.db2.gz NHUQPPJQKGQCOD-UHFFFAOYSA-N 1 2 329.271 3.831 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000525833226 1030157487 /nfs/dbraw/zinc/15/74/87/1030157487.db2.gz MTYYIUCZBYVVGV-GOSISDBHSA-N 1 2 334.847 3.521 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@H+]1CCCOc1ccc(Cl)cc1 ZINC000525833226 1030157497 /nfs/dbraw/zinc/15/74/97/1030157497.db2.gz MTYYIUCZBYVVGV-GOSISDBHSA-N 1 2 334.847 3.521 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc(C)c1F ZINC000531969706 1030172721 /nfs/dbraw/zinc/17/27/21/1030172721.db2.gz VUJNFDVCJAJVJW-JTQLQIEISA-N 1 2 326.213 3.779 20 0 EHADLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccncc2Br)C1 ZINC001137697475 1030185869 /nfs/dbraw/zinc/18/58/69/1030185869.db2.gz UONVHPSJAHRWQY-OAHLLOKOSA-N 1 2 345.240 3.549 20 0 EHADLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccncc2Br)C1 ZINC001137697475 1030185882 /nfs/dbraw/zinc/18/58/82/1030185882.db2.gz UONVHPSJAHRWQY-OAHLLOKOSA-N 1 2 345.240 3.549 20 0 EHADLO Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1OC(C)C ZINC000583600499 1030240508 /nfs/dbraw/zinc/24/05/08/1030240508.db2.gz WWPBOVCRKAXIQT-UHFFFAOYSA-N 1 2 330.432 3.581 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)o1 ZINC000453394709 1030245791 /nfs/dbraw/zinc/24/57/91/1030245791.db2.gz SQHYRBDTPUPPBA-AWEZNQCLSA-N 1 2 328.334 3.733 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000525992561 1030284082 /nfs/dbraw/zinc/28/40/82/1030284082.db2.gz WGGNRFJOEXHUKZ-BBRMVZONSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000525992561 1030284089 /nfs/dbraw/zinc/28/40/89/1030284089.db2.gz WGGNRFJOEXHUKZ-BBRMVZONSA-N 1 2 339.863 3.691 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091701828 1030287563 /nfs/dbraw/zinc/28/75/63/1030287563.db2.gz PSIDOZKCAFQNKU-KGLIPLIRSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091701828 1030287576 /nfs/dbraw/zinc/28/75/76/1030287576.db2.gz PSIDOZKCAFQNKU-KGLIPLIRSA-N 1 2 347.409 3.572 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1nc(C(C)(C)C)cs1 ZINC000532036688 1030298595 /nfs/dbraw/zinc/29/85/95/1030298595.db2.gz GJYLVZSIVKTSJL-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1nc(C(C)(C)C)cs1 ZINC000532036688 1030298605 /nfs/dbraw/zinc/29/86/05/1030298605.db2.gz GJYLVZSIVKTSJL-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO OC1CCN(c2[nH+]cccc2NCc2ccc(C(F)F)cc2)CC1 ZINC000525990814 1030311836 /nfs/dbraw/zinc/31/18/36/1030311836.db2.gz RATVNVJXXOWQPA-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1sc(C)cc1Br ZINC000453563556 1030328464 /nfs/dbraw/zinc/32/84/64/1030328464.db2.gz MIUOYRSZMLDTPD-UHFFFAOYSA-N 1 2 328.279 3.575 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1sc(C)cc1Br ZINC000453563556 1030328478 /nfs/dbraw/zinc/32/84/78/1030328478.db2.gz MIUOYRSZMLDTPD-UHFFFAOYSA-N 1 2 328.279 3.575 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)s1 ZINC000453594896 1030354307 /nfs/dbraw/zinc/35/43/07/1030354307.db2.gz LMLHTQYYPLCYFB-KCJUWKMLSA-N 1 2 326.263 3.811 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121750682 1030355160 /nfs/dbraw/zinc/35/51/60/1030355160.db2.gz QPCZNGFCQKUXNY-NJAFHUGGSA-N 1 2 342.487 3.544 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)s1 ZINC000453594895 1030356851 /nfs/dbraw/zinc/35/68/51/1030356851.db2.gz LMLHTQYYPLCYFB-GZMMTYOYSA-N 1 2 326.263 3.811 20 0 EHADLO COc1c(Cl)cccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129094297 1030360026 /nfs/dbraw/zinc/36/00/26/1030360026.db2.gz BQJYOEVSDAVJAF-WFASDCNBSA-N 1 2 348.834 3.660 20 0 EHADLO Clc1cnc(C[NH+]2CCC3(CC2)OCCc2ccccc23)s1 ZINC000453576815 1030365736 /nfs/dbraw/zinc/36/57/36/1030365736.db2.gz NQVHOPQUOPXUPY-UHFFFAOYSA-N 1 2 334.872 3.861 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H]1c1cccs1 ZINC000635116188 1030376448 /nfs/dbraw/zinc/37/64/48/1030376448.db2.gz BWBWAXVOHNFRQM-DGCLKSJQSA-N 1 2 343.374 3.802 20 0 EHADLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000092103884 1030386354 /nfs/dbraw/zinc/38/63/54/1030386354.db2.gz GMUWYHCATNOGSC-UHFFFAOYSA-N 1 2 336.785 3.563 20 0 EHADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000092103884 1030386371 /nfs/dbraw/zinc/38/63/71/1030386371.db2.gz GMUWYHCATNOGSC-UHFFFAOYSA-N 1 2 336.785 3.563 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000121946470 1030441912 /nfs/dbraw/zinc/44/19/12/1030441912.db2.gz LWLGUIFSAJETAF-INIZCTEOSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000121946470 1030441924 /nfs/dbraw/zinc/44/19/24/1030441924.db2.gz LWLGUIFSAJETAF-INIZCTEOSA-N 1 2 342.464 3.732 20 0 EHADLO Clc1cccc(-c2nc(CSCC[NH+]3CCOCC3)co2)c1 ZINC000159917850 1030446258 /nfs/dbraw/zinc/44/62/58/1030446258.db2.gz BDBJAWNJHSNCTN-UHFFFAOYSA-N 1 2 338.860 3.560 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(F)c(F)cc1Cl ZINC000343352916 1030450995 /nfs/dbraw/zinc/45/09/95/1030450995.db2.gz JIJQRMJIKGYSQM-UHFFFAOYSA-N 1 2 348.740 3.510 20 0 EHADLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl ZINC000447735198 1030459024 /nfs/dbraw/zinc/45/90/24/1030459024.db2.gz CCBXNMIDEOIQME-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl ZINC000447735198 1030459032 /nfs/dbraw/zinc/45/90/32/1030459032.db2.gz CCBXNMIDEOIQME-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532198596 1030474344 /nfs/dbraw/zinc/47/43/44/1030474344.db2.gz DCLSMQITQIIXGD-AUUYWEPGSA-N 1 2 335.407 3.589 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(F)c1 ZINC000343358786 1030477798 /nfs/dbraw/zinc/47/77/98/1030477798.db2.gz HFLCLIBQYPKSQN-CQSZACIVSA-N 1 2 338.386 3.598 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1ccc(OC)cc1OC(F)F ZINC000092561737 1030478201 /nfs/dbraw/zinc/47/82/01/1030478201.db2.gz IEZBSJGDCMBSTO-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1ccc(OC)cc1OC(F)F ZINC000092561737 1030478207 /nfs/dbraw/zinc/47/82/07/1030478207.db2.gz IEZBSJGDCMBSTO-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000532225790 1030489872 /nfs/dbraw/zinc/48/98/72/1030489872.db2.gz SEPOCARJAUJUPQ-LBPRGKRZSA-N 1 2 326.625 3.603 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000278383488 1030508113 /nfs/dbraw/zinc/50/81/13/1030508113.db2.gz ZBMBCJCEYWVBNW-GOEBONIOSA-N 1 2 326.444 3.631 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000060467080 1030564310 /nfs/dbraw/zinc/56/43/10/1030564310.db2.gz LTKUPLALOSCIIP-UHFFFAOYSA-N 1 2 347.466 3.659 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000122286333 1030569199 /nfs/dbraw/zinc/56/91/99/1030569199.db2.gz YFCDDPLJGYQMMI-UHFFFAOYSA-N 1 2 330.432 3.534 20 0 EHADLO Cc1ccc(-c2csc3ncnc(N4CC(n5cc[nH+]c5)C4)c23)cc1 ZINC000532342342 1030569805 /nfs/dbraw/zinc/56/98/05/1030569805.db2.gz QNTWPCLNKYWFSA-UHFFFAOYSA-N 1 2 347.447 3.925 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000447890786 1030570699 /nfs/dbraw/zinc/57/06/99/1030570699.db2.gz ZSFUJZGIUGKGPG-UONOGXRCSA-N 1 2 347.846 3.748 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613211089 1030584535 /nfs/dbraw/zinc/58/45/35/1030584535.db2.gz USUUDXLLZBCLGW-CYBMUJFWSA-N 1 2 343.381 3.601 20 0 EHADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613211089 1030584547 /nfs/dbraw/zinc/58/45/47/1030584547.db2.gz USUUDXLLZBCLGW-CYBMUJFWSA-N 1 2 343.381 3.601 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000635184263 1030624753 /nfs/dbraw/zinc/62/47/53/1030624753.db2.gz ZLMWJTWUEJNOMN-WOJBJXKFSA-N 1 2 345.446 3.785 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000635184263 1030624767 /nfs/dbraw/zinc/62/47/67/1030624767.db2.gz ZLMWJTWUEJNOMN-WOJBJXKFSA-N 1 2 345.446 3.785 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000668102012 1030626259 /nfs/dbraw/zinc/62/62/59/1030626259.db2.gz FHDAZQCSIFAXHQ-UHFFFAOYSA-N 1 2 349.276 3.698 20 0 EHADLO Cc1c(Br)cncc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000668102012 1030626271 /nfs/dbraw/zinc/62/62/71/1030626271.db2.gz FHDAZQCSIFAXHQ-UHFFFAOYSA-N 1 2 349.276 3.698 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)c1nccn1C ZINC000448025769 1030657998 /nfs/dbraw/zinc/65/79/98/1030657998.db2.gz FOWPKLGXNAYMBY-OAHLLOKOSA-N 1 2 337.471 3.581 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]1c1ccccc1 ZINC000332986391 1030689476 /nfs/dbraw/zinc/68/94/76/1030689476.db2.gz ICBOOHDCVAJQRH-ZWKOTPCHSA-N 1 2 338.455 3.525 20 0 EHADLO O=C(NCc1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000170692403 1030699081 /nfs/dbraw/zinc/69/90/81/1030699081.db2.gz VCNVWURQWMWNHF-PMACEKPBSA-N 1 2 346.434 3.611 20 0 EHADLO COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000360034087 1030716632 /nfs/dbraw/zinc/71/66/32/1030716632.db2.gz AQJZJAKTPHTYTR-INIZCTEOSA-N 1 2 340.379 3.935 20 0 EHADLO COC(=O)c1coc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000360034087 1030716650 /nfs/dbraw/zinc/71/66/50/1030716650.db2.gz AQJZJAKTPHTYTR-INIZCTEOSA-N 1 2 340.379 3.935 20 0 EHADLO Fc1ccc(-c2nc(CN3CC[NH+](CC4(F)CC4)CC3)cs2)cc1 ZINC000527219247 1030717740 /nfs/dbraw/zinc/71/77/40/1030717740.db2.gz WYICVGSFZZTOOL-UHFFFAOYSA-N 1 2 349.450 3.569 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc([C@H]3C[C@@H]3C)o1)C2 ZINC000527235301 1030726060 /nfs/dbraw/zinc/72/60/60/1030726060.db2.gz DUNYHGKYSXETQW-GUTXKFCHSA-N 1 2 341.455 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc([C@H]3C[C@@H]3C)o1)CC2 ZINC000527235301 1030726076 /nfs/dbraw/zinc/72/60/76/1030726076.db2.gz DUNYHGKYSXETQW-GUTXKFCHSA-N 1 2 341.455 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc([C@@H]3C[C@H]3C)o1)C2 ZINC000527235304 1030726403 /nfs/dbraw/zinc/72/64/03/1030726403.db2.gz DUNYHGKYSXETQW-UMVBOHGHSA-N 1 2 341.455 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc([C@@H]3C[C@H]3C)o1)CC2 ZINC000527235304 1030726411 /nfs/dbraw/zinc/72/64/11/1030726411.db2.gz DUNYHGKYSXETQW-UMVBOHGHSA-N 1 2 341.455 3.671 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239020 1030728558 /nfs/dbraw/zinc/72/85/58/1030728558.db2.gz BXVUXZGJGVUCTI-KSSFIOAISA-N 1 2 336.501 3.571 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239020 1030728574 /nfs/dbraw/zinc/72/85/74/1030728574.db2.gz BXVUXZGJGVUCTI-KSSFIOAISA-N 1 2 336.501 3.571 20 0 EHADLO Cc1nc(Cl)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130378599 1030732985 /nfs/dbraw/zinc/73/29/85/1030732985.db2.gz CTLADAGLFHYMGP-CYBMUJFWSA-N 1 2 349.887 3.624 20 0 EHADLO CCCC1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000568085444 1030737712 /nfs/dbraw/zinc/73/77/12/1030737712.db2.gz YENIMCWVJNISJN-UHFFFAOYSA-N 1 2 339.483 3.949 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000668150632 1030789101 /nfs/dbraw/zinc/78/91/01/1030789101.db2.gz BNRIXLNGEMIJDU-KBXCAEBGSA-N 1 2 345.443 3.519 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000668150632 1030789117 /nfs/dbraw/zinc/78/91/17/1030789117.db2.gz BNRIXLNGEMIJDU-KBXCAEBGSA-N 1 2 345.443 3.519 20 0 EHADLO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677416 1030813976 /nfs/dbraw/zinc/81/39/76/1030813976.db2.gz YEXFCWPYNYQHIK-UWVGGRQHSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677416 1030813994 /nfs/dbraw/zinc/81/39/94/1030813994.db2.gz YEXFCWPYNYQHIK-UWVGGRQHSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677419 1030815747 /nfs/dbraw/zinc/81/57/47/1030815747.db2.gz YEXFCWPYNYQHIK-VHSXEESVSA-N 1 2 337.332 3.898 20 0 EHADLO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000323677419 1030815770 /nfs/dbraw/zinc/81/57/70/1030815770.db2.gz YEXFCWPYNYQHIK-VHSXEESVSA-N 1 2 337.332 3.898 20 0 EHADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000482932454 1030829121 /nfs/dbraw/zinc/82/91/21/1030829121.db2.gz AZWALUMRVUZSRF-LJQANCHMSA-N 1 2 340.492 3.650 20 0 EHADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000482932454 1030829140 /nfs/dbraw/zinc/82/91/40/1030829140.db2.gz AZWALUMRVUZSRF-LJQANCHMSA-N 1 2 340.492 3.650 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000172017472 1030861427 /nfs/dbraw/zinc/86/14/27/1030861427.db2.gz WPUIHWHAJYEPOP-UHFFFAOYSA-N 1 2 327.453 3.748 20 0 EHADLO CCOc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C ZINC000172002743 1030861777 /nfs/dbraw/zinc/86/17/77/1030861777.db2.gz ZVXQFOKNSYHBIF-UHFFFAOYSA-N 1 2 349.434 3.569 20 0 EHADLO CC(C)[C@@H]1[N@H+](Cc2c(F)cncc2Br)CC12CCC2 ZINC000668184996 1030880044 /nfs/dbraw/zinc/88/00/44/1030880044.db2.gz ZWIMVPWJCSBPPU-AWEZNQCLSA-N 1 2 327.241 3.994 20 0 EHADLO CC(C)[C@@H]1[N@@H+](Cc2c(F)cncc2Br)CC12CCC2 ZINC000668184996 1030880066 /nfs/dbraw/zinc/88/00/66/1030880066.db2.gz ZWIMVPWJCSBPPU-AWEZNQCLSA-N 1 2 327.241 3.994 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1nnnn1-c1ccccc1 ZINC000115631883 1030895991 /nfs/dbraw/zinc/89/59/91/1030895991.db2.gz GOGITQXAKKFPKR-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668191999 1030907976 /nfs/dbraw/zinc/90/79/76/1030907976.db2.gz RELFUVLBJNJOGD-HSALFYBXSA-N 1 2 337.467 3.706 20 0 EHADLO Cc1nnsc1C[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639902973 1030911204 /nfs/dbraw/zinc/91/12/04/1030911204.db2.gz LWOXQXNBHPMMHX-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1nnsc1C[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639902973 1030911223 /nfs/dbraw/zinc/91/12/23/1030911223.db2.gz LWOXQXNBHPMMHX-GOSISDBHSA-N 1 2 339.464 3.582 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1cccs1)Cc1cccs1 ZINC000635261583 1030922881 /nfs/dbraw/zinc/92/28/81/1030922881.db2.gz GFKSLZYCKIHKMX-HUUCEWRRSA-N 1 2 343.477 3.865 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000635261583 1030922902 /nfs/dbraw/zinc/92/29/02/1030922902.db2.gz GFKSLZYCKIHKMX-HUUCEWRRSA-N 1 2 343.477 3.865 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168150200 1030935177 /nfs/dbraw/zinc/93/51/77/1030935177.db2.gz SPUAMKILIWGUOI-RDTXWAMCSA-N 1 2 331.843 3.645 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cn1 ZINC000527524864 1030968930 /nfs/dbraw/zinc/96/89/30/1030968930.db2.gz ADUWSTJDSGHHRO-IBGZPJMESA-N 1 2 332.394 3.674 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cn1 ZINC000527524864 1030968946 /nfs/dbraw/zinc/96/89/46/1030968946.db2.gz ADUWSTJDSGHHRO-IBGZPJMESA-N 1 2 332.394 3.674 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000172721509 1030982104 /nfs/dbraw/zinc/98/21/04/1030982104.db2.gz NVYFKEKQQMUEIC-MRXNPFEDSA-N 1 2 349.434 3.805 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccc(F)cc1C(F)(F)F ZINC000448374495 1031006174 /nfs/dbraw/zinc/00/61/74/1031006174.db2.gz LCVQNYWXSAQTPH-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccc(F)cc1C(F)(F)F ZINC000448374495 1031006189 /nfs/dbraw/zinc/00/61/89/1031006189.db2.gz LCVQNYWXSAQTPH-UHFFFAOYSA-N 1 2 348.365 3.950 20 0 EHADLO CCCCN(CCCC)C(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000476843699 1031031260 /nfs/dbraw/zinc/03/12/60/1031031260.db2.gz GWTHXTMGXFCVBQ-UHFFFAOYSA-N 1 2 329.444 3.680 20 0 EHADLO Cc1ccc(C)c(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000042625025 1031047890 /nfs/dbraw/zinc/04/78/90/1031047890.db2.gz NBBXTZOMJQAODY-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527624470 1031053175 /nfs/dbraw/zinc/05/31/75/1031053175.db2.gz JPJRMGVZTZHZEW-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO CCC(=O)CCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527624470 1031053193 /nfs/dbraw/zinc/05/31/93/1031053193.db2.gz JPJRMGVZTZHZEW-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000080563652 1031059710 /nfs/dbraw/zinc/05/97/10/1031059710.db2.gz SGOMARLGUOYIGR-FUHWJXTLSA-N 1 2 326.444 3.517 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000583899565 1031075582 /nfs/dbraw/zinc/07/55/82/1031075582.db2.gz WLKSOPQZKJKSQR-SFHVURJKSA-N 1 2 341.361 3.957 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)n1 ZINC000483338608 1031114329 /nfs/dbraw/zinc/11/43/29/1031114329.db2.gz IODSNWXKJCHJQA-OLZOCXBDSA-N 1 2 330.432 3.569 20 0 EHADLO COC1(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCC1 ZINC000483324754 1031117742 /nfs/dbraw/zinc/11/77/42/1031117742.db2.gz ZTZVUXXOXPVNLO-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCC1 ZINC000483324754 1031117759 /nfs/dbraw/zinc/11/77/59/1031117759.db2.gz ZTZVUXXOXPVNLO-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000583917235 1031132261 /nfs/dbraw/zinc/13/22/61/1031132261.db2.gz JEKUQCXMVIEMOK-HXUWFJFHSA-N 1 2 332.451 3.794 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000583917235 1031132270 /nfs/dbraw/zinc/13/22/70/1031132270.db2.gz JEKUQCXMVIEMOK-HXUWFJFHSA-N 1 2 332.451 3.794 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc(C(F)(F)F)c1 ZINC000527686650 1031149882 /nfs/dbraw/zinc/14/98/82/1031149882.db2.gz HQKPDEWGEKSRGP-SNVBAGLBSA-N 1 2 342.365 3.806 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000536163245 1031163079 /nfs/dbraw/zinc/16/30/79/1031163079.db2.gz MZJCGRDUFAYLDN-CQSZACIVSA-N 1 2 342.386 3.863 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655778123 1031168796 /nfs/dbraw/zinc/16/87/96/1031168796.db2.gz DBJJLOIAZYLYLH-ZDUSSCGKSA-N 1 2 340.652 3.924 20 0 EHADLO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)no1 ZINC000278515377 1031190716 /nfs/dbraw/zinc/19/07/16/1031190716.db2.gz BVICSOVZNYFRAX-UHFFFAOYSA-N 1 2 341.455 3.823 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1 ZINC000173991550 1031191113 /nfs/dbraw/zinc/19/11/13/1031191113.db2.gz HSESIDSUIWSFDY-CVEARBPZSA-N 1 2 349.434 3.697 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1nccs1 ZINC000152619797 1031205517 /nfs/dbraw/zinc/20/55/17/1031205517.db2.gz QRWDDXWZSSQSKY-KZULUSFZSA-N 1 2 332.469 3.890 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000483516007 1031207083 /nfs/dbraw/zinc/20/70/83/1031207083.db2.gz OHZCSMXZYPAFBC-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000483516007 1031207097 /nfs/dbraw/zinc/20/70/97/1031207097.db2.gz OHZCSMXZYPAFBC-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO O=C(NCCn1cccc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000448543225 1031233378 /nfs/dbraw/zinc/23/33/78/1031233378.db2.gz QOTCMERWQOCVIM-UHFFFAOYSA-N 1 2 349.438 3.510 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000483606110 1031239502 /nfs/dbraw/zinc/23/95/02/1031239502.db2.gz KYYVAAQVUJYMMW-AWEZNQCLSA-N 1 2 339.501 3.969 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000483606110 1031239517 /nfs/dbraw/zinc/23/95/17/1031239517.db2.gz KYYVAAQVUJYMMW-AWEZNQCLSA-N 1 2 339.501 3.969 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(OC)c1OC ZINC000483666571 1031269903 /nfs/dbraw/zinc/26/99/03/1031269903.db2.gz YWERYTUTEHUSAZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c(OC)c1OC ZINC000483666571 1031269913 /nfs/dbraw/zinc/26/99/13/1031269913.db2.gz YWERYTUTEHUSAZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1cc(C)c(NC(=S)NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000052733067 1031331684 /nfs/dbraw/zinc/33/16/84/1031331684.db2.gz PVRVRDRQVPALEA-UHFFFAOYSA-N 1 2 334.876 3.750 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527894053 1031388823 /nfs/dbraw/zinc/38/88/23/1031388823.db2.gz PFJKYABPJXQXHG-LSDHHAIUSA-N 1 2 336.439 3.903 20 0 EHADLO Cc1cnccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176255715 1031401635 /nfs/dbraw/zinc/40/16/35/1031401635.db2.gz WNXWCPJJYMNYST-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cnccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176255715 1031401641 /nfs/dbraw/zinc/40/16/41/1031401641.db2.gz WNXWCPJJYMNYST-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCCCNc1cccc[nH+]1 ZINC000668298243 1031424440 /nfs/dbraw/zinc/42/44/40/1031424440.db2.gz RNJKCRJANVTYOG-RHSMWYFYSA-N 1 2 337.414 3.606 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448662111 1031427372 /nfs/dbraw/zinc/42/73/72/1031427372.db2.gz YZRNPKZDXHWZEU-HNNXBMFYSA-N 1 2 339.361 3.526 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1sccc1Br ZINC000176444329 1031438645 /nfs/dbraw/zinc/43/86/45/1031438645.db2.gz KUOWUHATSFUIBM-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1sccc1Br ZINC000176444329 1031438649 /nfs/dbraw/zinc/43/86/49/1031438649.db2.gz KUOWUHATSFUIBM-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(F)c(Br)cc1F ZINC000527908686 1031438796 /nfs/dbraw/zinc/43/87/96/1031438796.db2.gz MISUCMBHLZJBHG-BDAKNGLRSA-N 1 2 344.203 3.873 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCOCCc2ccccc2)o1 ZINC000116995572 1031489182 /nfs/dbraw/zinc/48/91/82/1031489182.db2.gz OMCRFJSHUXDQHR-IBGZPJMESA-N 1 2 329.440 3.611 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2CCCOCCc2ccccc2)o1 ZINC000116995572 1031489195 /nfs/dbraw/zinc/48/91/95/1031489195.db2.gz OMCRFJSHUXDQHR-IBGZPJMESA-N 1 2 329.440 3.611 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000347417229 1031505846 /nfs/dbraw/zinc/50/58/46/1031505846.db2.gz DNFIPDVFHVGBRQ-BSDSXHPESA-N 1 2 329.488 3.733 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnn(C2CC2)c1 ZINC000527978476 1031515411 /nfs/dbraw/zinc/51/54/11/1031515411.db2.gz IDXUXPOJGMZHEP-UHFFFAOYSA-N 1 2 347.422 3.670 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000477447096 1031557938 /nfs/dbraw/zinc/55/79/38/1031557938.db2.gz ARSSJLFZGGURNZ-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000527999626 1031559592 /nfs/dbraw/zinc/55/95/92/1031559592.db2.gz BRICHJVIMDMEJJ-ZWKOTPCHSA-N 1 2 344.405 3.669 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000177588682 1031577853 /nfs/dbraw/zinc/57/78/53/1031577853.db2.gz ZPBWKLGPLNKTNI-MRXNPFEDSA-N 1 2 342.830 3.938 20 0 EHADLO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000584050912 1031578868 /nfs/dbraw/zinc/57/88/68/1031578868.db2.gz VBKAZHWCWFFKMO-ZFWWWQNUSA-N 1 2 342.468 3.555 20 0 EHADLO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000584050912 1031578881 /nfs/dbraw/zinc/57/88/81/1031578881.db2.gz VBKAZHWCWFFKMO-ZFWWWQNUSA-N 1 2 342.468 3.555 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(F)c(Br)cc1F)c1ccn(C)n1 ZINC000527983391 1031597012 /nfs/dbraw/zinc/59/70/12/1031597012.db2.gz VQILSGHOXRNLPC-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc(Cl)cc21 ZINC000635451399 1031627174 /nfs/dbraw/zinc/62/71/74/1031627174.db2.gz NNUQSWODAORULM-CYBMUJFWSA-N 1 2 343.736 3.619 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177885832 1031635289 /nfs/dbraw/zinc/63/52/89/1031635289.db2.gz JWWCPTOEXDAULQ-LJQANCHMSA-N 1 2 332.407 3.553 20 0 EHADLO CSCCc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178199000 1031641155 /nfs/dbraw/zinc/64/11/55/1031641155.db2.gz VAJFHYYTNFGCBG-UHFFFAOYSA-N 1 2 340.452 3.562 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551806734 1031665437 /nfs/dbraw/zinc/66/54/37/1031665437.db2.gz ZIFWKZJCUHEIJY-NILFDRSVSA-N 1 2 329.362 3.883 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508635896 1031672494 /nfs/dbraw/zinc/67/24/94/1031672494.db2.gz ZRWZZOWZUVDAHU-HSMVNMDESA-N 1 2 342.842 3.551 20 0 EHADLO Cc1ccc2c(CCNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)c[nH]c2c1 ZINC000635462401 1031676334 /nfs/dbraw/zinc/67/63/34/1031676334.db2.gz QPJMBYURGJXLPX-LJQANCHMSA-N 1 2 338.455 3.619 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C(c1ccccc1)c1ccccc1 ZINC000178363569 1031686261 /nfs/dbraw/zinc/68/62/61/1031686261.db2.gz MVEAQDBIPZWEMK-UHFFFAOYSA-N 1 2 341.414 3.783 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000528092703 1031692439 /nfs/dbraw/zinc/69/24/39/1031692439.db2.gz NOHKFEOZYOQNFX-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000528092703 1031692444 /nfs/dbraw/zinc/69/24/44/1031692444.db2.gz NOHKFEOZYOQNFX-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)n1 ZINC000133872133 1031739788 /nfs/dbraw/zinc/73/97/88/1031739788.db2.gz UQBNODDDXCVKRD-UHFFFAOYSA-N 1 2 336.530 3.528 20 0 EHADLO COc1ccc(F)cc1[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117615998 1031781155 /nfs/dbraw/zinc/78/11/55/1031781155.db2.gz ZIVOPLABAFXKNS-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000179584955 1031791033 /nfs/dbraw/zinc/79/10/33/1031791033.db2.gz DQAKAXQZOJIAET-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000117671149 1031791725 /nfs/dbraw/zinc/79/17/25/1031791725.db2.gz SLFDJBBAHVSGEF-UHFFFAOYSA-N 1 2 349.409 3.859 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2ccc(Sc3ccccn3)o2)cn1 ZINC000551960899 1031804407 /nfs/dbraw/zinc/80/44/07/1031804407.db2.gz SYVGFDZKWZCNPZ-UHFFFAOYSA-N 1 2 328.441 3.674 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2ccc(Sc3ccccn3)o2)cn1 ZINC000551960899 1031804421 /nfs/dbraw/zinc/80/44/21/1031804421.db2.gz SYVGFDZKWZCNPZ-UHFFFAOYSA-N 1 2 328.441 3.674 20 0 EHADLO C[C@H](NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000086235326 1031813945 /nfs/dbraw/zinc/81/39/45/1031813945.db2.gz KHJWELPGGSEERH-KBPBESRZSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000086235326 1031813965 /nfs/dbraw/zinc/81/39/65/1031813965.db2.gz KHJWELPGGSEERH-KBPBESRZSA-N 1 2 330.403 3.822 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000179861271 1031817091 /nfs/dbraw/zinc/81/70/91/1031817091.db2.gz LUWRXWUYNHZINH-OAHLLOKOSA-N 1 2 343.471 3.534 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCO[C@H](C)C2)c1 ZINC000179861271 1031817110 /nfs/dbraw/zinc/81/71/10/1031817110.db2.gz LUWRXWUYNHZINH-OAHLLOKOSA-N 1 2 343.471 3.534 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cncnc1)[C@H](c1ccccc1)C2 ZINC000180078066 1031837857 /nfs/dbraw/zinc/83/78/57/1031837857.db2.gz IRPXKVQKIVTXQI-NRFANRHFSA-N 1 2 331.419 3.785 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cncnc1)[C@H](c1ccccc1)C2 ZINC000180078066 1031837874 /nfs/dbraw/zinc/83/78/74/1031837874.db2.gz IRPXKVQKIVTXQI-NRFANRHFSA-N 1 2 331.419 3.785 20 0 EHADLO CCCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)no1 ZINC000484654767 1031848778 /nfs/dbraw/zinc/84/87/78/1031848778.db2.gz RTOQMCNZKSNYDM-WBVHZDCISA-N 1 2 329.444 3.810 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)NCCCNc3cccc[nH+]3)c2)cc1 ZINC000343666338 1031864108 /nfs/dbraw/zinc/86/41/08/1031864108.db2.gz DNBFSBDRQWWIKX-UHFFFAOYSA-N 1 2 346.434 3.684 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000448890336 1031874188 /nfs/dbraw/zinc/87/41/88/1031874188.db2.gz IMAPOOSKWXBXDV-GFCCVEGCSA-N 1 2 337.345 3.757 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000180286038 1031874107 /nfs/dbraw/zinc/87/41/07/1031874107.db2.gz XDASHMXARHHDLN-OAQYLSRUSA-N 1 2 345.446 3.711 20 0 EHADLO O=C(CCCC(F)(F)F)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000537736541 1031876834 /nfs/dbraw/zinc/87/68/34/1031876834.db2.gz DVBNXMJOBHSNSO-YVMONPNESA-N 1 2 340.389 3.577 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)CCc2ccc(F)cc2)n1 ZINC000904264818 1031889335 /nfs/dbraw/zinc/88/93/35/1031889335.db2.gz RKQOBCOOFWIKLJ-LLVKDONJSA-N 1 2 326.375 3.898 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)CCc2ccc(F)cc2)n1 ZINC000904264819 1031890703 /nfs/dbraw/zinc/89/07/03/1031890703.db2.gz RKQOBCOOFWIKLJ-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CC(C)(C)c2ccc(F)cc2)n1 ZINC000904266075 1031894415 /nfs/dbraw/zinc/89/44/15/1031894415.db2.gz YNJWSYVCEIXDSA-UHFFFAOYSA-N 1 2 326.375 3.682 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3ccccc3F)n2)cc[nH+]1 ZINC000117800973 1031901165 /nfs/dbraw/zinc/90/11/65/1031901165.db2.gz GPQHIHHIENXNBY-UHFFFAOYSA-N 1 2 327.384 3.829 20 0 EHADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927883 1031904915 /nfs/dbraw/zinc/90/49/15/1031904915.db2.gz JRUJYKAENBOONO-JXFKEZNVSA-N 1 2 329.488 3.905 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000080665029 1031919592 /nfs/dbraw/zinc/91/95/92/1031919592.db2.gz ZTCCJAJZFTWONJ-VYDXJSESSA-N 1 2 344.459 3.610 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000455910564 1031959909 /nfs/dbraw/zinc/95/99/09/1031959909.db2.gz PVBZNIWZTWTBDD-RHSMWYFYSA-N 1 2 342.443 3.569 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)s1 ZINC000195018198 1031963502 /nfs/dbraw/zinc/96/35/02/1031963502.db2.gz DTEXFPBGHCTPHW-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@]23CCOC3)s1 ZINC000195018198 1031963516 /nfs/dbraw/zinc/96/35/16/1031963516.db2.gz DTEXFPBGHCTPHW-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000347475516 1031977446 /nfs/dbraw/zinc/97/74/46/1031977446.db2.gz XRLOENGBMOPNDC-WBVHZDCISA-N 1 2 341.455 3.617 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)s1 ZINC000347487220 1031990710 /nfs/dbraw/zinc/99/07/10/1031990710.db2.gz PYHRUSXEGKJMTF-VXGBXAGGSA-N 1 2 337.876 3.645 20 0 EHADLO Cc1cc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)cc[nH+]1 ZINC000448960174 1031991595 /nfs/dbraw/zinc/99/15/95/1031991595.db2.gz CMBPPXKSJXJYKE-UHFFFAOYSA-N 1 2 334.391 3.845 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1(C2CC2)CC1 ZINC000533879491 1032008928 /nfs/dbraw/zinc/00/89/28/1032008928.db2.gz LLXGSMYSKXBPHT-UHFFFAOYSA-N 1 2 334.423 3.666 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc(Cl)cc3)sc2C1 ZINC000159324818 1032013015 /nfs/dbraw/zinc/01/30/15/1032013015.db2.gz MWPNGSIEVATJLP-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc(Cl)cc3)sc2C1 ZINC000159324818 1032013035 /nfs/dbraw/zinc/01/30/35/1032013035.db2.gz MWPNGSIEVATJLP-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000455794950 1032018525 /nfs/dbraw/zinc/01/85/25/1032018525.db2.gz PAIKEQBYGLWWIK-IEBWSBKVSA-N 1 2 325.456 3.739 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449016274 1032027327 /nfs/dbraw/zinc/02/73/27/1032027327.db2.gz GWEDDIKUGBKGEO-UZLBHIALSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449016274 1032027339 /nfs/dbraw/zinc/02/73/39/1032027339.db2.gz GWEDDIKUGBKGEO-UZLBHIALSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343711561 1032035533 /nfs/dbraw/zinc/03/55/33/1032035533.db2.gz HVNGFOHBBFKXQY-VQIMIIECSA-N 1 2 337.467 3.835 20 0 EHADLO CCN(CC)C(=O)CCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000181807404 1032035588 /nfs/dbraw/zinc/03/55/88/1032035588.db2.gz SXMLQNVFWCETTE-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)C1 ZINC000459398397 1032037067 /nfs/dbraw/zinc/03/70/67/1032037067.db2.gz YCEXXWVHXLDYNJ-PREGVCBESA-N 1 2 341.398 3.617 20 0 EHADLO CC(C)OC1CC([N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)C1 ZINC000459398397 1032037082 /nfs/dbraw/zinc/03/70/82/1032037082.db2.gz YCEXXWVHXLDYNJ-PREGVCBESA-N 1 2 341.398 3.617 20 0 EHADLO Fc1cnccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000449002991 1032040683 /nfs/dbraw/zinc/04/06/83/1032040683.db2.gz ODOLHPGHNCMFST-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cc(C)on2)cn1 ZINC000459392207 1032052028 /nfs/dbraw/zinc/05/20/28/1032052028.db2.gz PQWJCVXQWKBPNL-UHFFFAOYSA-N 1 2 339.395 3.859 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000536646040 1032052386 /nfs/dbraw/zinc/05/23/86/1032052386.db2.gz PKXURKBHWDJTAZ-LLVKDONJSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000536646040 1032052403 /nfs/dbraw/zinc/05/24/03/1032052403.db2.gz PKXURKBHWDJTAZ-LLVKDONJSA-N 1 2 337.769 3.892 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)ccc1SCC(F)F)n1cc[nH+]c1 ZINC000574576368 1033303731 /nfs/dbraw/zinc/30/37/31/1033303731.db2.gz NHISPBNHEWMMMX-JTQLQIEISA-N 1 2 343.374 3.969 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054922 1033307433 /nfs/dbraw/zinc/30/74/33/1033307433.db2.gz KTBZSOYHPIUCLC-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054922 1033307448 /nfs/dbraw/zinc/30/74/48/1033307448.db2.gz KTBZSOYHPIUCLC-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)nn1 ZINC000685426821 1033319594 /nfs/dbraw/zinc/31/95/94/1033319594.db2.gz GOAMUGPNSLOVCE-KBPBESRZSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)nn1 ZINC000685426821 1033319609 /nfs/dbraw/zinc/31/96/09/1033319609.db2.gz GOAMUGPNSLOVCE-KBPBESRZSA-N 1 2 338.377 3.739 20 0 EHADLO CSCCc1ccccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000603085307 1033352353 /nfs/dbraw/zinc/35/23/53/1033352353.db2.gz OZYOUAWDHNDZPO-UHFFFAOYSA-N 1 2 329.469 3.926 20 0 EHADLO C[C@@H](CC(=O)N1CCOc2cc(Cl)c(Cl)cc21)n1cc[nH+]c1 ZINC000574693856 1033358540 /nfs/dbraw/zinc/35/85/40/1033358540.db2.gz DMXOMANZJTWPOV-JTQLQIEISA-N 1 2 340.210 3.567 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)c1 ZINC000120115586 1033373207 /nfs/dbraw/zinc/37/32/07/1033373207.db2.gz IRSFQEYCZRHIOD-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)c1 ZINC000120115586 1033373224 /nfs/dbraw/zinc/37/32/24/1033373224.db2.gz IRSFQEYCZRHIOD-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000170652514 1033397570 /nfs/dbraw/zinc/39/75/70/1033397570.db2.gz GDJZNIOQRNBPRL-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000170652514 1033397585 /nfs/dbraw/zinc/39/75/85/1033397585.db2.gz GDJZNIOQRNBPRL-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000358123428 1033405773 /nfs/dbraw/zinc/40/57/73/1033405773.db2.gz VZICYYMIUNUZJD-SFHVURJKSA-N 1 2 328.460 3.569 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000171755621 1033415319 /nfs/dbraw/zinc/41/53/19/1033415319.db2.gz GGRLNBLFWVJPKL-GOSISDBHSA-N 1 2 337.448 3.602 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3ccnc(Cl)c3)CC2)cc1 ZINC000063517419 1033435122 /nfs/dbraw/zinc/43/51/22/1033435122.db2.gz SIGBEMLYPUQILX-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]C1CCC2(CC2)CC1 ZINC000594615807 1033480163 /nfs/dbraw/zinc/48/01/63/1033480163.db2.gz QYSUSXOTVNIKPA-KRWDZBQOSA-N 1 2 330.472 3.647 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000608125227 1033483315 /nfs/dbraw/zinc/48/33/15/1033483315.db2.gz STRAASOELVVVIA-UHFFFAOYSA-N 1 2 336.435 3.645 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000091920523 1033483435 /nfs/dbraw/zinc/48/34/35/1033483435.db2.gz KBOWOPGNRLYIBM-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000091920523 1033483445 /nfs/dbraw/zinc/48/34/45/1033483445.db2.gz KBOWOPGNRLYIBM-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CC(C)C1)Cn1cc[nH+]c1 ZINC000449957560 1033495341 /nfs/dbraw/zinc/49/53/41/1033495341.db2.gz CYQNMACRXDAZSS-XAUUPUKJSA-N 1 2 345.874 3.657 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Br ZINC001140700708 1033502121 /nfs/dbraw/zinc/50/21/21/1033502121.db2.gz KERQKJCNQCRKQY-MLGOLLRUSA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Br ZINC001140700708 1033502128 /nfs/dbraw/zinc/50/21/28/1033502128.db2.gz KERQKJCNQCRKQY-MLGOLLRUSA-N 1 2 342.252 3.898 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635620332 1033532016 /nfs/dbraw/zinc/53/20/16/1033532016.db2.gz VWXIJPDRDVAGOT-MJBXVCDLSA-N 1 2 331.382 3.804 20 0 EHADLO CCN(C(=O)CCCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000608240171 1033537312 /nfs/dbraw/zinc/53/73/12/1033537312.db2.gz UNRIAENRIIAZIJ-LJQANCHMSA-N 1 2 345.462 3.918 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608205990 1033542233 /nfs/dbraw/zinc/54/22/33/1033542233.db2.gz NJSBUQCHNPTGGR-LJQANCHMSA-N 1 2 333.435 3.751 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccsc1C ZINC000449994238 1033564790 /nfs/dbraw/zinc/56/47/90/1033564790.db2.gz GRMIQEBMYNRBJN-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449997138 1033571903 /nfs/dbraw/zinc/57/19/03/1033571903.db2.gz SIWWPENBOMRCIM-RTBURBONSA-N 1 2 343.515 3.973 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1C ZINC000595024845 1033616867 /nfs/dbraw/zinc/61/68/67/1033616867.db2.gz CLNZJGVJRLOBGW-MRXNPFEDSA-N 1 2 348.487 3.611 20 0 EHADLO COc1cc(CNc2cc(CSCCO)cc[nH+]2)ccc1Cl ZINC000598977948 1033626322 /nfs/dbraw/zinc/62/63/22/1033626322.db2.gz QGQJXCBOOLLZNF-UHFFFAOYSA-N 1 2 338.860 3.581 20 0 EHADLO CCn1cc(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)nn1 ZINC000595066492 1033644833 /nfs/dbraw/zinc/64/48/33/1033644833.db2.gz ABTRHKVATWONEI-AWEZNQCLSA-N 1 2 344.406 3.511 20 0 EHADLO CC(C)CCSCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179581 1033651765 /nfs/dbraw/zinc/65/17/65/1033651765.db2.gz JCUMKFATBRLKNR-UHFFFAOYSA-N 1 2 349.544 3.858 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000529251544 1033703285 /nfs/dbraw/zinc/70/32/85/1033703285.db2.gz FPASIUXDDMUKEX-UHFFFAOYSA-N 1 2 336.798 3.922 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000529251544 1033703298 /nfs/dbraw/zinc/70/32/98/1033703298.db2.gz FPASIUXDDMUKEX-UHFFFAOYSA-N 1 2 336.798 3.922 20 0 EHADLO O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046106095 1033730206 /nfs/dbraw/zinc/73/02/06/1033730206.db2.gz CORSUJUAKIFIKG-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@](C)(CO)c3ccccc3)cs2)o1 ZINC000599172283 1033785011 /nfs/dbraw/zinc/78/50/11/1033785011.db2.gz OTOPAPNKTPDBJM-SFHVURJKSA-N 1 2 328.437 3.709 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000608748175 1033859397 /nfs/dbraw/zinc/85/93/97/1033859397.db2.gz JAWNCIIVCMPRAP-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000608748175 1033859415 /nfs/dbraw/zinc/85/94/15/1033859415.db2.gz JAWNCIIVCMPRAP-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO CCc1nc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC000174341073 1033899902 /nfs/dbraw/zinc/89/99/02/1033899902.db2.gz GSFNNHMCBHIALE-UHFFFAOYSA-N 1 2 341.440 3.521 20 0 EHADLO COC(=O)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000120579090 1033936867 /nfs/dbraw/zinc/93/68/67/1033936867.db2.gz UYUDMAXIACYODF-LJQANCHMSA-N 1 2 347.418 3.539 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450226568 1033939442 /nfs/dbraw/zinc/93/94/42/1033939442.db2.gz LYMGYAOWUDTLRJ-JTQLQIEISA-N 1 2 333.304 3.917 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450226568 1033939450 /nfs/dbraw/zinc/93/94/50/1033939450.db2.gz LYMGYAOWUDTLRJ-JTQLQIEISA-N 1 2 333.304 3.917 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1Oc1cccnc1 ZINC000603809390 1033940066 /nfs/dbraw/zinc/94/00/66/1033940066.db2.gz YQLBIYPVLUVZTK-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCC12CC2 ZINC000529428001 1033954840 /nfs/dbraw/zinc/95/48/40/1033954840.db2.gz SEJROYUSUCJJBT-CQSZACIVSA-N 1 2 329.831 3.722 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCN(CCCn2cc[nH+]c2)c2ccccc21 ZINC000595752188 1033982489 /nfs/dbraw/zinc/98/24/89/1033982489.db2.gz ITWZCTIJVYLXGS-KRWDZBQOSA-N 1 2 341.455 3.609 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1Cl ZINC000595822404 1033994370 /nfs/dbraw/zinc/99/43/70/1033994370.db2.gz SYEWMARXQJPHMR-UHFFFAOYSA-N 1 2 349.858 3.518 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1Cl ZINC000595822404 1033994387 /nfs/dbraw/zinc/99/43/87/1033994387.db2.gz SYEWMARXQJPHMR-UHFFFAOYSA-N 1 2 349.858 3.518 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1cccnc1 ZINC000595913098 1034028140 /nfs/dbraw/zinc/02/81/40/1034028140.db2.gz BZFSNNUMGMZJCI-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1cccnc1 ZINC000595913098 1034028151 /nfs/dbraw/zinc/02/81/51/1034028151.db2.gz BZFSNNUMGMZJCI-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccccc2OC(C)C)c1 ZINC000596077193 1034071619 /nfs/dbraw/zinc/07/16/19/1034071619.db2.gz MOGFHEDZBVTPMW-CQSZACIVSA-N 1 2 328.412 3.757 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000596074855 1034071672 /nfs/dbraw/zinc/07/16/72/1034071672.db2.gz ICODGQDJOBWKPE-NSHDSACASA-N 1 2 336.338 3.572 20 0 EHADLO Cc1cc2nc(N3CCC[N@H+](Cc4cscn4)CC3)oc2c(C)c1 ZINC000450311132 1034088125 /nfs/dbraw/zinc/08/81/25/1034088125.db2.gz YOVREBCZZLFLLN-UHFFFAOYSA-N 1 2 342.468 3.613 20 0 EHADLO Cc1cc2nc(N3CCC[N@@H+](Cc4cscn4)CC3)oc2c(C)c1 ZINC000450311132 1034088138 /nfs/dbraw/zinc/08/81/38/1034088138.db2.gz YOVREBCZZLFLLN-UHFFFAOYSA-N 1 2 342.468 3.613 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000658234403 1034120636 /nfs/dbraw/zinc/12/06/36/1034120636.db2.gz ABDLRDKEJXDARC-NSHDSACASA-N 1 2 344.267 3.790 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2nnc[nH]2)cc1 ZINC000658265431 1034129187 /nfs/dbraw/zinc/12/91/87/1034129187.db2.gz NGPBMECWOSVUJG-NPCAHTBFSA-N 1 2 336.361 3.591 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CC(F)(F)C1 ZINC000529544137 1034150946 /nfs/dbraw/zinc/15/09/46/1034150946.db2.gz WMAGBTCIIACRHU-JHJVBQTASA-N 1 2 325.403 3.541 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccsc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000529559374 1034169882 /nfs/dbraw/zinc/16/98/82/1034169882.db2.gz WTWYORDEIINEHF-LLVKDONJSA-N 1 2 335.391 3.537 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000529559374 1034169886 /nfs/dbraw/zinc/16/98/86/1034169886.db2.gz WTWYORDEIINEHF-LLVKDONJSA-N 1 2 335.391 3.537 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120812140 1034173491 /nfs/dbraw/zinc/17/34/91/1034173491.db2.gz RIHZBDDJQFVICK-CQSZACIVSA-N 1 2 331.803 3.729 20 0 EHADLO CCOCCO[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450395131 1034234195 /nfs/dbraw/zinc/23/41/95/1034234195.db2.gz ULJALCYLZDZKOT-LBPRGKRZSA-N 1 2 338.810 3.659 20 0 EHADLO CCCN(CC(C)C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900144977 1034260488 /nfs/dbraw/zinc/26/04/88/1034260488.db2.gz USZKHRHHVRDBCQ-UHFFFAOYSA-N 1 2 328.460 3.503 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120972346 1034276885 /nfs/dbraw/zinc/27/68/85/1034276885.db2.gz ZFHLZCQEHXDFGK-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120972346 1034276896 /nfs/dbraw/zinc/27/68/96/1034276896.db2.gz ZFHLZCQEHXDFGK-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO CC(C)[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1C(C)C ZINC000456297548 1034290275 /nfs/dbraw/zinc/29/02/75/1034290275.db2.gz RHNTYEXYXPEAED-MOPGFXCFSA-N 1 2 325.456 3.684 20 0 EHADLO CSCC1(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)CC1 ZINC000596612713 1034322231 /nfs/dbraw/zinc/32/22/31/1034322231.db2.gz WGFHHRUERQLAOB-UHFFFAOYSA-N 1 2 340.452 3.667 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)nc1Cl ZINC000060246699 1034344288 /nfs/dbraw/zinc/34/42/88/1034344288.db2.gz CGMOYYZJZPWADA-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000534299245 1034355658 /nfs/dbraw/zinc/35/56/58/1034355658.db2.gz CQFLWHVXMFWKBK-HUUCEWRRSA-N 1 2 334.341 3.881 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453593 1034361501 /nfs/dbraw/zinc/36/15/01/1034361501.db2.gz JRMXJDZMJWHXRU-KBXCAEBGSA-N 1 2 328.460 3.817 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cn(CC3CC3)nn2)o1 ZINC000450453593 1034361504 /nfs/dbraw/zinc/36/15/04/1034361504.db2.gz JRMXJDZMJWHXRU-KBXCAEBGSA-N 1 2 328.460 3.817 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456138 1034370113 /nfs/dbraw/zinc/37/01/13/1034370113.db2.gz SDERBNRHWOIBJB-DGCLKSJQSA-N 1 2 344.402 3.758 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456138 1034370118 /nfs/dbraw/zinc/37/01/18/1034370118.db2.gz SDERBNRHWOIBJB-DGCLKSJQSA-N 1 2 344.402 3.758 20 0 EHADLO CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)[C@@H](C)c1cccc(O)c1 ZINC000450472172 1034387107 /nfs/dbraw/zinc/38/71/07/1034387107.db2.gz LGFHAIZULRJVQD-AWEZNQCLSA-N 1 2 338.411 3.729 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)[C@@H](C)c1cccc(O)c1 ZINC000450472172 1034387117 /nfs/dbraw/zinc/38/71/17/1034387117.db2.gz LGFHAIZULRJVQD-AWEZNQCLSA-N 1 2 338.411 3.729 20 0 EHADLO O[C@H]1CC[C@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450477123 1034396383 /nfs/dbraw/zinc/39/63/83/1034396383.db2.gz UZYNEOGEOUKCFS-UWVGGRQHSA-N 1 2 339.208 3.709 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H](c2ccccc2)O1 ZINC000534349189 1034422461 /nfs/dbraw/zinc/42/24/61/1034422461.db2.gz PEMPAPPIBRZHPN-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H](c2ccccc2)O1 ZINC000534349189 1034422469 /nfs/dbraw/zinc/42/24/69/1034422469.db2.gz PEMPAPPIBRZHPN-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO COCOc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001211631118 1034438323 /nfs/dbraw/zinc/43/83/23/1034438323.db2.gz ODEOVEINGMCMHR-UHFFFAOYSA-N 1 2 348.200 3.823 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Cl)c1 ZINC000529696665 1034441178 /nfs/dbraw/zinc/44/11/78/1034441178.db2.gz MNQPSWLJYUYOCU-CYBMUJFWSA-N 1 2 349.837 3.927 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ccc(F)c(F)c31)C2 ZINC000456444381 1034455460 /nfs/dbraw/zinc/45/54/60/1034455460.db2.gz WCFMLCVARCVPKK-LBPRGKRZSA-N 1 2 345.393 3.506 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ccc(F)c(F)c31)CC2 ZINC000456444381 1034455465 /nfs/dbraw/zinc/45/54/65/1034455465.db2.gz WCFMLCVARCVPKK-LBPRGKRZSA-N 1 2 345.393 3.506 20 0 EHADLO O=C(NC1CCc2ccccc2CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000456464087 1034479312 /nfs/dbraw/zinc/47/93/12/1034479312.db2.gz UPDJEQAPQWQVRB-UHFFFAOYSA-N 1 2 345.446 3.609 20 0 EHADLO COCc1csc(C[N@@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)c1 ZINC000597115275 1034545513 /nfs/dbraw/zinc/54/55/13/1034545513.db2.gz HUVNCCHDQJBNET-ROUUACIJSA-N 1 2 345.464 3.773 20 0 EHADLO COCc1csc(C[N@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)c1 ZINC000597115275 1034545521 /nfs/dbraw/zinc/54/55/21/1034545521.db2.gz HUVNCCHDQJBNET-ROUUACIJSA-N 1 2 345.464 3.773 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605688 1034559675 /nfs/dbraw/zinc/55/96/75/1034559675.db2.gz ATBVMJVIPTXBIC-WDEREUQCSA-N 1 2 332.404 3.759 20 0 EHADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605688 1034559679 /nfs/dbraw/zinc/55/96/79/1034559679.db2.gz ATBVMJVIPTXBIC-WDEREUQCSA-N 1 2 332.404 3.759 20 0 EHADLO C[C@H]1[C@H](CO)CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000413600667 1034570710 /nfs/dbraw/zinc/57/07/10/1034570710.db2.gz YYUWPOBEUSPRPO-RYUDHWBXSA-N 1 2 335.245 3.595 20 0 EHADLO Fc1cc2[nH+]ccc(NCC3=CCOCC3)c2cc1Br ZINC000450615836 1034598987 /nfs/dbraw/zinc/59/89/87/1034598987.db2.gz ABTINHTTZRNMDJ-UHFFFAOYSA-N 1 2 337.192 3.895 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1F ZINC000605155194 1034655336 /nfs/dbraw/zinc/65/53/36/1034655336.db2.gz KXGSFJTYCSPIHB-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1F ZINC000605155194 1034655344 /nfs/dbraw/zinc/65/53/44/1034655344.db2.gz KXGSFJTYCSPIHB-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2csnn2)ccc1OCC(C)C ZINC000450663745 1034659474 /nfs/dbraw/zinc/65/94/74/1034659474.db2.gz MGNXJCAHEPVIHM-STQMWFEESA-N 1 2 335.473 3.993 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)n1 ZINC000450665688 1034663153 /nfs/dbraw/zinc/66/31/53/1034663153.db2.gz FQAUKIROMKEEGY-OAHLLOKOSA-N 1 2 329.444 3.761 20 0 EHADLO CC(C)(c1ccc(F)cc1)C1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000456783640 1034729810 /nfs/dbraw/zinc/72/98/10/1034729810.db2.gz URKQGYFKTFOGIY-HNNXBMFYSA-N 1 2 341.430 3.595 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccc(Cl)s1 ZINC000450730829 1034735356 /nfs/dbraw/zinc/73/53/56/1034735356.db2.gz XUNVPATWMVKWHD-QMMMGPOBSA-N 1 2 330.862 3.886 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)n1 ZINC000450725518 1034752602 /nfs/dbraw/zinc/75/26/02/1034752602.db2.gz QZWQCKJYKWMNHT-LBPRGKRZSA-N 1 2 340.452 3.768 20 0 EHADLO Fc1c(Br)ccc(C[NH+]2CC(C3CCOCC3)C2)c1F ZINC000628262422 1034757246 /nfs/dbraw/zinc/75/72/46/1034757246.db2.gz JLNBDPJCUVJWIG-UHFFFAOYSA-N 1 2 346.215 3.586 20 0 EHADLO Cc1ccc(O)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000529927065 1034780787 /nfs/dbraw/zinc/78/07/87/1034780787.db2.gz WQXXMOXUYQWJFC-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(O)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000529927065 1034780796 /nfs/dbraw/zinc/78/07/96/1034780796.db2.gz WQXXMOXUYQWJFC-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000450760054 1034780862 /nfs/dbraw/zinc/78/08/62/1034780862.db2.gz QHJDATHDYJXKFK-GOSISDBHSA-N 1 2 329.469 3.683 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000450760054 1034780877 /nfs/dbraw/zinc/78/08/77/1034780877.db2.gz QHJDATHDYJXKFK-GOSISDBHSA-N 1 2 329.469 3.683 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)NCc3c[nH+]c(C)cc3C)cs2)o1 ZINC000456841557 1034789258 /nfs/dbraw/zinc/78/92/58/1034789258.db2.gz FKWKXVJZYDCWLL-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000529940898 1034798771 /nfs/dbraw/zinc/79/87/71/1034798771.db2.gz PCZMLEAAWOQBSJ-HNNXBMFYSA-N 1 2 348.450 3.930 20 0 EHADLO Cc1cccc(Cl)c1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000450781117 1034808383 /nfs/dbraw/zinc/80/83/83/1034808383.db2.gz ZENGHQHRSIEIND-AWEZNQCLSA-N 1 2 335.904 3.984 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000601930315 1034829162 /nfs/dbraw/zinc/82/91/62/1034829162.db2.gz GFLVQTRKHUDCSJ-STQMWFEESA-N 1 2 332.400 3.660 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3CCCCS3)c12 ZINC000390839052 1034858344 /nfs/dbraw/zinc/85/83/44/1034858344.db2.gz CAIRHFRLHLQGPV-AWEZNQCLSA-N 1 2 325.441 3.513 20 0 EHADLO OC[C@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000628272473 1034870071 /nfs/dbraw/zinc/87/00/71/1034870071.db2.gz OWXDBCROUMKXOJ-ZJUUUORDSA-N 1 2 347.324 3.760 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2csc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000628272473 1034870077 /nfs/dbraw/zinc/87/00/77/1034870077.db2.gz OWXDBCROUMKXOJ-ZJUUUORDSA-N 1 2 347.324 3.760 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3nc(C(C)(C)C)no3)CC2)CC1 ZINC000375900889 1034874138 /nfs/dbraw/zinc/87/41/38/1034874138.db2.gz IRJAIQCGONDYFU-UHFFFAOYSA-N 1 2 335.492 3.927 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450868554 1034885645 /nfs/dbraw/zinc/88/56/45/1034885645.db2.gz MQJAWAMQIANIMN-MRXNPFEDSA-N 1 2 338.377 3.780 20 0 EHADLO FC1(c2ccc(Cl)cc2)CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450909154 1034931659 /nfs/dbraw/zinc/93/16/59/1034931659.db2.gz SNKVCMGYQNXSLB-UHFFFAOYSA-N 1 2 348.853 3.802 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2c(C)cccc2Cl)C2CCOCC2)n1 ZINC000450963428 1034991050 /nfs/dbraw/zinc/99/10/50/1034991050.db2.gz RRIYAVFDLHCQTB-INIZCTEOSA-N 1 2 335.835 3.597 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]CC34CC(C3)CO4)c3ccccc3)n2)cc1 ZINC000530134662 1035011902 /nfs/dbraw/zinc/01/19/02/1035011902.db2.gz KXBUHSSGWAOKIO-GFBDMGBSSA-N 1 2 347.418 3.595 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000450984192 1035012856 /nfs/dbraw/zinc/01/28/56/1035012856.db2.gz UYMGWDOZTVHDJK-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000450984192 1035012867 /nfs/dbraw/zinc/01/28/67/1035012867.db2.gz UYMGWDOZTVHDJK-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001625883358 1035017229 /nfs/dbraw/zinc/01/72/29/1035017229.db2.gz WZBGMIOHASYTEO-MOPGFXCFSA-N 1 2 338.536 3.554 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451021324 1035017869 /nfs/dbraw/zinc/01/78/69/1035017869.db2.gz PFBULZPIZFFXOM-OAHLLOKOSA-N 1 2 347.846 3.697 20 0 EHADLO COC(=O)CC1(C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451021324 1035017878 /nfs/dbraw/zinc/01/78/78/1035017878.db2.gz PFBULZPIZFFXOM-OAHLLOKOSA-N 1 2 347.846 3.697 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000451001162 1035021419 /nfs/dbraw/zinc/02/14/19/1035021419.db2.gz PBPGCIOEXBQCSR-CYBMUJFWSA-N 1 2 334.851 3.559 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000451001162 1035021429 /nfs/dbraw/zinc/02/14/29/1035021429.db2.gz PBPGCIOEXBQCSR-CYBMUJFWSA-N 1 2 334.851 3.559 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2ccnc(C)n2)C3)cs1 ZINC000376020102 1035131899 /nfs/dbraw/zinc/13/18/99/1035131899.db2.gz DMHBNKJCJKQWCH-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2ccnc(C)n2)C3)cs1 ZINC000376020102 1035131903 /nfs/dbraw/zinc/13/19/03/1035131903.db2.gz DMHBNKJCJKQWCH-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376069640 1035211445 /nfs/dbraw/zinc/21/14/45/1035211445.db2.gz RASZPTJIFVZYIV-CVEARBPZSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376069640 1035211447 /nfs/dbraw/zinc/21/14/47/1035211447.db2.gz RASZPTJIFVZYIV-CVEARBPZSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3ncccc3c1)C2 ZINC000376072585 1035219918 /nfs/dbraw/zinc/21/99/18/1035219918.db2.gz WMEJUWXVTBQUSE-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3ncccc3c1)CC2 ZINC000376072585 1035219921 /nfs/dbraw/zinc/21/99/21/1035219921.db2.gz WMEJUWXVTBQUSE-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000584503258 1035269896 /nfs/dbraw/zinc/26/98/96/1035269896.db2.gz AZYKZBXUYNBIDF-FQEVSTJZSA-N 1 2 349.478 3.973 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636161824 1035275229 /nfs/dbraw/zinc/27/52/29/1035275229.db2.gz RSTKMDJUWBUSIR-AWEZNQCLSA-N 1 2 341.333 3.641 20 0 EHADLO CC(C)c1cc(Br)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005595 1035350158 /nfs/dbraw/zinc/35/01/58/1035350158.db2.gz MISMIRVXGCSEJQ-ZDUSSCGKSA-N 1 2 334.204 3.949 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC2(CCC2)[C@H]1c1ccncc1)n1cc[nH+]c1 ZINC000636238340 1035381053 /nfs/dbraw/zinc/38/10/53/1035381053.db2.gz CTWIRTVSSZRSTQ-QZTJIDSGSA-N 1 2 338.455 3.619 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161698002 1035402379 /nfs/dbraw/zinc/40/23/79/1035402379.db2.gz ZKTNVDZPIIXFJZ-IRXDYDNUSA-N 1 2 331.504 3.947 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000414070236 1035435963 /nfs/dbraw/zinc/43/59/63/1035435963.db2.gz JQXGMLQEHFKLBY-TVQRCGJNSA-N 1 2 336.844 3.921 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613178894 1035442682 /nfs/dbraw/zinc/44/26/82/1035442682.db2.gz GUZKGTJCPBIHLU-CRAIPNDOSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613178894 1035442689 /nfs/dbraw/zinc/44/26/89/1035442689.db2.gz GUZKGTJCPBIHLU-CRAIPNDOSA-N 1 2 344.842 3.514 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC(C)(C)C ZINC000613179513 1035443411 /nfs/dbraw/zinc/44/34/11/1035443411.db2.gz NSEJXSHRQQGSEB-KRWDZBQOSA-N 1 2 346.515 3.597 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000431778254 1035476135 /nfs/dbraw/zinc/47/61/35/1035476135.db2.gz IFHIEDIPSMCZPQ-UHFFFAOYSA-N 1 2 332.492 3.553 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1Cl)C2 ZINC000376242743 1035516861 /nfs/dbraw/zinc/51/68/61/1035516861.db2.gz CWVDTRNNHKYFRN-LBPRGKRZSA-N 1 2 331.847 3.608 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1Cl)CC2 ZINC000376242743 1035516869 /nfs/dbraw/zinc/51/68/69/1035516869.db2.gz CWVDTRNNHKYFRN-LBPRGKRZSA-N 1 2 331.847 3.608 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185835901 1035517846 /nfs/dbraw/zinc/51/78/46/1035517846.db2.gz PZTSHTKPVPCJTR-UHFFFAOYSA-N 1 2 342.873 3.672 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000492265683 1035541200 /nfs/dbraw/zinc/54/12/00/1035541200.db2.gz HGOZNGKOJNOMRN-KGLIPLIRSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000492265683 1035541211 /nfs/dbraw/zinc/54/12/11/1035541211.db2.gz HGOZNGKOJNOMRN-KGLIPLIRSA-N 1 2 338.835 3.716 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533828 1035548041 /nfs/dbraw/zinc/54/80/41/1035548041.db2.gz BXABUXZPRASBFZ-IINYFYTJSA-N 1 2 343.324 3.537 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000571533828 1035548053 /nfs/dbraw/zinc/54/80/53/1035548053.db2.gz BXABUXZPRASBFZ-IINYFYTJSA-N 1 2 343.324 3.537 20 0 EHADLO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000492301095 1035577391 /nfs/dbraw/zinc/57/73/91/1035577391.db2.gz KFQNNBOCGFFTIN-CDNLZTBQSA-N 1 2 349.434 3.758 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)C2 ZINC000456986206 1035603450 /nfs/dbraw/zinc/60/34/50/1035603450.db2.gz PIWWKYISSONMJA-DOWLUUCCSA-N 1 2 341.499 3.533 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)CC2 ZINC000456986206 1035603459 /nfs/dbraw/zinc/60/34/59/1035603459.db2.gz PIWWKYISSONMJA-DOWLUUCCSA-N 1 2 341.499 3.533 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(C(F)F)c2)s1 ZINC000414123127 1035633268 /nfs/dbraw/zinc/63/32/68/1035633268.db2.gz BCTUAHLKGYBLJA-VIFPVBQESA-N 1 2 326.368 3.718 20 0 EHADLO COc1ccc(F)c(N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000540744099 1035653501 /nfs/dbraw/zinc/65/35/01/1035653501.db2.gz HOJACGDRXYHEJC-QRWLVFNGSA-N 1 2 344.430 3.708 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(-c3cncnc3)cc2F)c(C)[nH+]1 ZINC000186652952 1035678375 /nfs/dbraw/zinc/67/83/75/1035678375.db2.gz QNJNVGOLRRSKNV-UHFFFAOYSA-N 1 2 336.370 3.855 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000540821007 1035707584 /nfs/dbraw/zinc/70/75/84/1035707584.db2.gz NXDVWEWUZDGHTN-UHFFFAOYSA-N 1 2 342.414 3.531 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000540821007 1035707605 /nfs/dbraw/zinc/70/76/05/1035707605.db2.gz NXDVWEWUZDGHTN-UHFFFAOYSA-N 1 2 342.414 3.531 20 0 EHADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1cc(F)ccc1F ZINC000186910870 1035722489 /nfs/dbraw/zinc/72/24/89/1035722489.db2.gz CUBQSJFLIMPALG-UHFFFAOYSA-N 1 2 336.407 3.844 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccnc(Cc3ccccc3)n2)c1C ZINC000463663379 1035722831 /nfs/dbraw/zinc/72/28/31/1035722831.db2.gz VTJQXZOQPLLNTO-UHFFFAOYSA-N 1 2 348.450 3.724 20 0 EHADLO Cc1nc([C@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000187005640 1035739514 /nfs/dbraw/zinc/73/95/14/1035739514.db2.gz URCKFVSYLYUXQC-QGZVFWFLSA-N 1 2 338.436 3.615 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2coc(-c3cccc(F)c3)n2)c(C)[nH+]1 ZINC000187144119 1035768978 /nfs/dbraw/zinc/76/89/78/1035768978.db2.gz LODWWCRLHLOMIB-XMMPIXPASA-N 1 2 344.411 3.941 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187221683 1035774798 /nfs/dbraw/zinc/77/47/98/1035774798.db2.gz RQVKFNIBMFOEOK-IZHWHUGBSA-N 1 2 344.480 3.537 20 0 EHADLO Brc1cccc2ccc(NCCCCn3cc[nH+]c3)nc12 ZINC000540905892 1035787103 /nfs/dbraw/zinc/78/71/03/1035787103.db2.gz CYAKTJCZKFRIIN-UHFFFAOYSA-N 1 2 345.244 3.508 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)ccn12 ZINC000571938879 1035841176 /nfs/dbraw/zinc/84/11/76/1035841176.db2.gz LZEXQGAGCUGZJN-ZDUSSCGKSA-N 1 2 325.416 3.699 20 0 EHADLO COc1cccc2c(N[C@@H]3CCc4cnn(C(C)C)c4C3)cc[nH+]c12 ZINC000571944161 1035845805 /nfs/dbraw/zinc/84/58/05/1035845805.db2.gz AOPSBFFRGPKGNS-OAHLLOKOSA-N 1 2 336.439 3.990 20 0 EHADLO CCOC(=O)c1cccnc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188034061 1035885382 /nfs/dbraw/zinc/88/53/82/1035885382.db2.gz YIAAZTFKFUZUFS-UHFFFAOYSA-N 1 2 339.420 3.736 20 0 EHADLO CC(C)(NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000535038865 1035918178 /nfs/dbraw/zinc/91/81/78/1035918178.db2.gz FBDQFDSVAQBTHG-UHFFFAOYSA-N 1 2 336.439 3.912 20 0 EHADLO COc1cccc(Cl)c1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000174378631 1035918901 /nfs/dbraw/zinc/91/89/01/1035918901.db2.gz YELAAMMYFDCGHV-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO Cc1ccc(CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C(C)C)s1 ZINC000588368760 1035926987 /nfs/dbraw/zinc/92/69/87/1035926987.db2.gz PRRNOKIRVDSEHK-UHFFFAOYSA-N 1 2 341.480 3.992 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccoc2)c2ccccc2)c1 ZINC000174630488 1035933064 /nfs/dbraw/zinc/93/30/64/1035933064.db2.gz FDQXUYACXASNCS-LJQANCHMSA-N 1 2 341.432 3.562 20 0 EHADLO Cc1cc(NC(=O)N2CCC(CCc3ccccc3)CC2)c(C)c[nH+]1 ZINC000535060632 1035942693 /nfs/dbraw/zinc/94/26/93/1035942693.db2.gz DPTDEPUAIDXPBZ-UHFFFAOYSA-N 1 2 337.467 3.997 20 0 EHADLO Cc1ccccc1[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)CO1 ZINC000541090153 1035975463 /nfs/dbraw/zinc/97/54/63/1035975463.db2.gz MCRFMZMRIHDFKA-YWZLYKJASA-N 1 2 337.467 3.939 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000174660211 1036045906 /nfs/dbraw/zinc/04/59/06/1036045906.db2.gz ZBZHFVQVNXBCSB-LLVKDONJSA-N 1 2 339.386 3.862 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2c(C)nn(CC)c2C)cc1 ZINC000639919650 1036051679 /nfs/dbraw/zinc/05/16/79/1036051679.db2.gz GZFXDCWEPVFRRU-MRXNPFEDSA-N 1 2 342.487 3.541 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2c(C)nn(CC)c2C)cc1 ZINC000639919650 1036051696 /nfs/dbraw/zinc/05/16/96/1036051696.db2.gz GZFXDCWEPVFRRU-MRXNPFEDSA-N 1 2 342.487 3.541 20 0 EHADLO CCCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163205 1036052205 /nfs/dbraw/zinc/05/22/05/1036052205.db2.gz LFNSCZAQJBJBEU-YOEHRIQHSA-N 1 2 328.378 3.546 20 0 EHADLO CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163205 1036052225 /nfs/dbraw/zinc/05/22/25/1036052225.db2.gz LFNSCZAQJBJBEU-YOEHRIQHSA-N 1 2 328.378 3.546 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541180336 1036062219 /nfs/dbraw/zinc/06/22/19/1036062219.db2.gz OJMBYBQCZLXAGZ-QGZVFWFLSA-N 1 2 334.508 3.910 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000492614126 1036081038 /nfs/dbraw/zinc/08/10/38/1036081038.db2.gz FDQRFKQDFVWWFX-VURMDHGXSA-N 1 2 331.419 3.982 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(Br)c1Cl)c1nccn1C ZINC000414216242 1036109662 /nfs/dbraw/zinc/10/96/62/1036109662.db2.gz ZIPAYKLRUMEFNX-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000541277640 1036131678 /nfs/dbraw/zinc/13/16/78/1036131678.db2.gz BPEPLIGZCHHHCY-KBXCAEBGSA-N 1 2 338.455 3.895 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)CN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000541277640 1036131687 /nfs/dbraw/zinc/13/16/87/1036131687.db2.gz BPEPLIGZCHHHCY-KBXCAEBGSA-N 1 2 338.455 3.895 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)CN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000541277651 1036131849 /nfs/dbraw/zinc/13/18/49/1036131849.db2.gz BPEPLIGZCHHHCY-RDTXWAMCSA-N 1 2 338.455 3.895 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)CN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000541277651 1036131861 /nfs/dbraw/zinc/13/18/61/1036131861.db2.gz BPEPLIGZCHHHCY-RDTXWAMCSA-N 1 2 338.455 3.895 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cc1F ZINC000189747839 1036135081 /nfs/dbraw/zinc/13/50/81/1036135081.db2.gz UBVCBJLEROWHAD-OLZOCXBDSA-N 1 2 347.438 3.738 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3[nH]ccc3C3CC3)n2)C1 ZINC000457483859 1036155228 /nfs/dbraw/zinc/15/52/28/1036155228.db2.gz MKGFKBRKLHKCSC-LBPRGKRZSA-N 1 2 344.484 3.833 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3[nH]ccc3C3CC3)n2)C1 ZINC000457483859 1036155235 /nfs/dbraw/zinc/15/52/35/1036155235.db2.gz MKGFKBRKLHKCSC-LBPRGKRZSA-N 1 2 344.484 3.833 20 0 EHADLO Clc1cccc([C@@H](CNCc2nccn2C2CC2)[NH+]2CCCC2)c1 ZINC000892567722 1036161698 /nfs/dbraw/zinc/16/16/98/1036161698.db2.gz UYZBZVWJCXNUBS-GOSISDBHSA-N 1 2 344.890 3.798 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)c(C)c1 ZINC000547606858 1036180044 /nfs/dbraw/zinc/18/00/44/1036180044.db2.gz KPELUJXJFIVBMP-LJQANCHMSA-N 1 2 339.414 3.755 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563854 1036233523 /nfs/dbraw/zinc/23/35/23/1036233523.db2.gz LBWWRAJPUWNWOP-HOTGVXAUSA-N 1 2 329.444 3.680 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563854 1036233540 /nfs/dbraw/zinc/23/35/40/1036233540.db2.gz LBWWRAJPUWNWOP-HOTGVXAUSA-N 1 2 329.444 3.680 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000457520266 1036245584 /nfs/dbraw/zinc/24/55/84/1036245584.db2.gz IWUYKRGLZZHZKF-UONOGXRCSA-N 1 2 342.405 3.712 20 0 EHADLO CC(C)c1nsc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000929782319 1036247923 /nfs/dbraw/zinc/24/79/23/1036247923.db2.gz UPLRHZDOAAXASL-MRXNPFEDSA-N 1 2 330.501 3.762 20 0 EHADLO CC(C)c1nsc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000929782319 1036247936 /nfs/dbraw/zinc/24/79/36/1036247936.db2.gz UPLRHZDOAAXASL-MRXNPFEDSA-N 1 2 330.501 3.762 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000535261051 1036251969 /nfs/dbraw/zinc/25/19/69/1036251969.db2.gz LJKPHEFVGKSGSR-RDJZCZTQSA-N 1 2 335.517 3.544 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)CC(F)(F)F)CC2)s1 ZINC000457563810 1036262858 /nfs/dbraw/zinc/26/28/58/1036262858.db2.gz BQLFSNJGBWGFPO-GFCCVEGCSA-N 1 2 348.434 3.543 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190985426 1036314138 /nfs/dbraw/zinc/31/41/38/1036314138.db2.gz XQFLVHLHVBAQAB-UHFFFAOYSA-N 1 2 327.815 3.824 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(OC(F)F)c1 ZINC000414261796 1036321336 /nfs/dbraw/zinc/32/13/36/1036321336.db2.gz RNEAGKTWYICIHU-VIFPVBQESA-N 1 2 347.287 3.948 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1c(F)cccc1Cl ZINC000464341576 1036341983 /nfs/dbraw/zinc/34/19/83/1036341983.db2.gz LHJLVTGWBQJNKG-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)n1 ZINC000414263139 1036344459 /nfs/dbraw/zinc/34/44/59/1036344459.db2.gz SGUDVZJDLJCTQZ-LBPRGKRZSA-N 1 2 327.737 3.926 20 0 EHADLO CC(C)n1ncc2c1[C@@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCC2 ZINC000376372705 1036357696 /nfs/dbraw/zinc/35/76/96/1036357696.db2.gz YLDPVZZKCJHVPN-INIZCTEOSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)n1ncc2c1[C@@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC000376372705 1036357713 /nfs/dbraw/zinc/35/77/13/1036357713.db2.gz YLDPVZZKCJHVPN-INIZCTEOSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000191418940 1036378859 /nfs/dbraw/zinc/37/88/59/1036378859.db2.gz YCEKLYWXWOKXHD-CRAIPNDOSA-N 1 2 345.512 3.950 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000191418940 1036378875 /nfs/dbraw/zinc/37/88/75/1036378875.db2.gz YCEKLYWXWOKXHD-CRAIPNDOSA-N 1 2 345.512 3.950 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)o1 ZINC000191575269 1036415114 /nfs/dbraw/zinc/41/51/14/1036415114.db2.gz JIOBFHJPLAAZIW-NSHDSACASA-N 1 2 329.404 3.509 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000170893283 1036423801 /nfs/dbraw/zinc/42/38/01/1036423801.db2.gz LJDNLRMHZHGLIY-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO Fc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102409570 1036446029 /nfs/dbraw/zinc/44/60/29/1036446029.db2.gz QQFFNGMTEVJKIA-CQSZACIVSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1ccc(Br)cc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102409570 1036446034 /nfs/dbraw/zinc/44/60/34/1036446034.db2.gz QQFFNGMTEVJKIA-CQSZACIVSA-N 1 2 338.224 3.622 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@H+](Cc3ncccn3)C2)cc1Cl ZINC000192065516 1036463256 /nfs/dbraw/zinc/46/32/56/1036463256.db2.gz NLBBZVMYYDJBRU-ZDUSSCGKSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1Cl ZINC000192065516 1036463269 /nfs/dbraw/zinc/46/32/69/1036463269.db2.gz NLBBZVMYYDJBRU-ZDUSSCGKSA-N 1 2 338.238 3.827 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3cccc(F)c3F)CC2)c[nH+]1 ZINC000897421973 1036469561 /nfs/dbraw/zinc/46/95/61/1036469561.db2.gz UYZFMWJSHWEZEA-UHFFFAOYSA-N 1 2 347.409 3.611 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncccn2)ccc1OCCC(C)C ZINC000192152400 1036478798 /nfs/dbraw/zinc/47/87/98/1036478798.db2.gz XKWMAXWMJNNEIF-HNNXBMFYSA-N 1 2 329.444 3.761 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457781908 1036500196 /nfs/dbraw/zinc/50/01/96/1036500196.db2.gz UYJSFPMWUJDUHE-KBPBESRZSA-N 1 2 339.430 3.607 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nnc(-c3ccccc3)o2)c(C)[nH+]1 ZINC000193182985 1036591053 /nfs/dbraw/zinc/59/10/53/1036591053.db2.gz IXFMLLRHSXVPLO-UHFFFAOYSA-N 1 2 336.395 3.628 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186094181 1036619178 /nfs/dbraw/zinc/61/91/78/1036619178.db2.gz LCXXACYXQKYZFB-IBGZPJMESA-N 1 2 347.462 3.772 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186094181 1036619183 /nfs/dbraw/zinc/61/91/83/1036619183.db2.gz LCXXACYXQKYZFB-IBGZPJMESA-N 1 2 347.462 3.772 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176531640 1036637598 /nfs/dbraw/zinc/63/75/98/1036637598.db2.gz YVXKLFUTXUHVTC-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176531640 1036637607 /nfs/dbraw/zinc/63/76/07/1036637607.db2.gz YVXKLFUTXUHVTC-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO COc1cccc2c(N[C@H]3CCCn4nc(C(C)C)nc43)cc[nH+]c12 ZINC000193486928 1036689373 /nfs/dbraw/zinc/68/93/73/1036689373.db2.gz OUBXYUXJRULTGU-HNNXBMFYSA-N 1 2 337.427 3.905 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000170718328 1036700119 /nfs/dbraw/zinc/70/01/19/1036700119.db2.gz HOHJFTYOTVKWLM-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000170718328 1036700138 /nfs/dbraw/zinc/70/01/38/1036700138.db2.gz HOHJFTYOTVKWLM-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742686 1036713131 /nfs/dbraw/zinc/71/31/31/1036713131.db2.gz XNRAQJKULDUXPE-SCLBCKFNSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742686 1036713145 /nfs/dbraw/zinc/71/31/45/1036713145.db2.gz XNRAQJKULDUXPE-SCLBCKFNSA-N 1 2 330.378 3.986 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000590059752 1036743344 /nfs/dbraw/zinc/74/33/44/1036743344.db2.gz KOZBCKBBBURVPM-LBPRGKRZSA-N 1 2 335.810 3.814 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000590059752 1036743361 /nfs/dbraw/zinc/74/33/61/1036743361.db2.gz KOZBCKBBBURVPM-LBPRGKRZSA-N 1 2 335.810 3.814 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590100784 1036754562 /nfs/dbraw/zinc/75/45/62/1036754562.db2.gz MPIQWFJMXFULHS-ZWKOTPCHSA-N 1 2 344.503 3.840 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155010 1036777240 /nfs/dbraw/zinc/77/72/40/1036777240.db2.gz HWTKUQJGKHWVGI-HIFRSBDPSA-N 1 2 330.457 3.512 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000493146759 1036788984 /nfs/dbraw/zinc/78/89/84/1036788984.db2.gz HIPRGSGUZROPBN-WAYWQWQTSA-N 1 2 349.356 3.848 20 0 EHADLO CCC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCC1 ZINC001299212291 1036838044 /nfs/dbraw/zinc/83/80/44/1036838044.db2.gz KZTNGIAECHVFPM-KRWDZBQOSA-N 1 2 345.512 3.961 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)cs1 ZINC000414348124 1036861281 /nfs/dbraw/zinc/86/12/81/1036861281.db2.gz IJDVSKILLFBYLN-VIFPVBQESA-N 1 2 326.368 3.878 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1ccco1)NCc1ccc(Cl)s1 ZINC000532415229 1036887108 /nfs/dbraw/zinc/88/71/08/1036887108.db2.gz SHEPXSJOXJXXPA-ZDUSSCGKSA-N 1 2 338.860 3.838 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1ccco1)NCc1ccc(Cl)s1 ZINC000532415229 1036887133 /nfs/dbraw/zinc/88/71/33/1036887133.db2.gz SHEPXSJOXJXXPA-ZDUSSCGKSA-N 1 2 338.860 3.838 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC000360105683 1036901901 /nfs/dbraw/zinc/90/19/01/1036901901.db2.gz TVKOXRFKRHNHEB-GOSISDBHSA-N 1 2 340.471 3.711 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)s1 ZINC000464857706 1036911540 /nfs/dbraw/zinc/91/15/40/1036911540.db2.gz LUPDBRPHGNJADL-WMLDXEAASA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)s1 ZINC000464857706 1036911555 /nfs/dbraw/zinc/91/15/55/1036911555.db2.gz LUPDBRPHGNJADL-WMLDXEAASA-N 1 2 346.496 3.993 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C1CCCCC1 ZINC000177752986 1036926404 /nfs/dbraw/zinc/92/64/04/1036926404.db2.gz YREKFBUYZFXMOD-KRWDZBQOSA-N 1 2 326.444 3.589 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000590603220 1036964476 /nfs/dbraw/zinc/96/44/76/1036964476.db2.gz TWZUHVTZLPYUQX-INIZCTEOSA-N 1 2 345.443 3.914 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000590603220 1036964492 /nfs/dbraw/zinc/96/44/92/1036964492.db2.gz TWZUHVTZLPYUQX-INIZCTEOSA-N 1 2 345.443 3.914 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000590627257 1036977326 /nfs/dbraw/zinc/97/73/26/1036977326.db2.gz HRUIMMUDVFJXNQ-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000590627257 1036977343 /nfs/dbraw/zinc/97/73/43/1036977343.db2.gz HRUIMMUDVFJXNQ-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000542013900 1036977585 /nfs/dbraw/zinc/97/75/85/1036977585.db2.gz NSSFNVSSTQCPFU-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000542013900 1036977596 /nfs/dbraw/zinc/97/75/96/1036977596.db2.gz NSSFNVSSTQCPFU-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)cn1 ZINC000647538729 1037012419 /nfs/dbraw/zinc/01/24/19/1037012419.db2.gz FFIZWDIWFMIALA-LLVKDONJSA-N 1 2 338.274 3.655 20 0 EHADLO Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)cn1 ZINC000647538729 1037012437 /nfs/dbraw/zinc/01/24/37/1037012437.db2.gz FFIZWDIWFMIALA-LLVKDONJSA-N 1 2 338.274 3.655 20 0 EHADLO CC(C)c1ccc(OCCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178372277 1037031018 /nfs/dbraw/zinc/03/10/18/1037031018.db2.gz OCNJUERYXFOIDN-UHFFFAOYSA-N 1 2 337.423 3.543 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590733572 1037034186 /nfs/dbraw/zinc/03/41/86/1037034186.db2.gz QTDQBTZFPONFIY-LBPRGKRZSA-N 1 2 335.860 3.736 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590734247 1037035340 /nfs/dbraw/zinc/03/53/40/1037035340.db2.gz VBSFIGPKVFAEBT-OAHLLOKOSA-N 1 2 348.450 3.721 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590799549 1037064143 /nfs/dbraw/zinc/06/41/43/1037064143.db2.gz GFFQPYXOVHHMCD-LBPRGKRZSA-N 1 2 338.333 3.771 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)c(C)[nH+]1 ZINC000590836125 1037072941 /nfs/dbraw/zinc/07/29/41/1037072941.db2.gz PWHPIPRHGPLFSE-UHFFFAOYSA-N 1 2 347.459 3.783 20 0 EHADLO CCC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000178695205 1037079089 /nfs/dbraw/zinc/07/90/89/1037079089.db2.gz VDDNGEABABELJS-ROUUACIJSA-N 1 2 338.455 3.501 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590845439 1037079760 /nfs/dbraw/zinc/07/97/60/1037079760.db2.gz NONJJMCEGPQTFL-KGLIPLIRSA-N 1 2 332.835 3.644 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590845508 1037081384 /nfs/dbraw/zinc/08/13/84/1037081384.db2.gz XHYCWXZJEDRGMN-CJNGLKHVSA-N 1 2 332.835 3.644 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000590848049 1037082029 /nfs/dbraw/zinc/08/20/29/1037082029.db2.gz FTBMOEAMTMSPIC-MSOLQXFVSA-N 1 2 344.434 3.766 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590846980 1037084080 /nfs/dbraw/zinc/08/40/80/1037084080.db2.gz CQQISEDAWFMMMT-QZTJIDSGSA-N 1 2 326.444 3.771 20 0 EHADLO CC1(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000178735292 1037084995 /nfs/dbraw/zinc/08/49/95/1037084995.db2.gz GPBYMSZTKOXDGS-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590853349 1037086322 /nfs/dbraw/zinc/08/63/22/1037086322.db2.gz QBFWSXNHPZOBNS-FJIDUMEYSA-N 1 2 330.476 3.589 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178777133 1037095987 /nfs/dbraw/zinc/09/59/87/1037095987.db2.gz MWHUKXWAAQVJKC-HNNXBMFYSA-N 1 2 345.462 3.990 20 0 EHADLO O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000151373429 1037096303 /nfs/dbraw/zinc/09/63/03/1037096303.db2.gz DVPKMMYDHJLFIG-UHFFFAOYSA-N 1 2 349.419 3.684 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590857926 1037103515 /nfs/dbraw/zinc/10/35/15/1037103515.db2.gz LDYXXSCZDAKFGX-OALUTQOASA-N 1 2 340.471 3.669 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590910370 1037121299 /nfs/dbraw/zinc/12/12/99/1037121299.db2.gz UABVLGOEZYKXBZ-AWEZNQCLSA-N 1 2 331.847 3.678 20 0 EHADLO CCOc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000105011360 1037128081 /nfs/dbraw/zinc/12/80/81/1037128081.db2.gz OSIHCBZVGHMRGE-UHFFFAOYSA-N 1 2 346.406 3.633 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187114360 1037219703 /nfs/dbraw/zinc/21/97/03/1037219703.db2.gz LZLDVRFJFCPRIL-HKUYNNGSSA-N 1 2 348.450 3.545 20 0 EHADLO O=C(/C=C\c1ccc[nH]1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000493290682 1037224815 /nfs/dbraw/zinc/22/48/15/1037224815.db2.gz QIVBZRTVPJWNFS-KTKRTIGZSA-N 1 2 332.407 3.866 20 0 EHADLO c1csc(CCCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000539828857 1037256313 /nfs/dbraw/zinc/25/63/13/1037256313.db2.gz KYIZVRKDPXHLPP-UHFFFAOYSA-N 1 2 335.436 3.922 20 0 EHADLO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)C(F)F)N(C)C ZINC000539855984 1037285988 /nfs/dbraw/zinc/28/59/88/1037285988.db2.gz NGXHQYNTWLRQKX-MSOLQXFVSA-N 1 2 348.437 3.764 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)s1 ZINC000669931530 1037307166 /nfs/dbraw/zinc/30/71/66/1037307166.db2.gz RPARVKIZCGQIJF-ZIAGYGMSSA-N 1 2 342.512 3.823 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000591264518 1037312411 /nfs/dbraw/zinc/31/24/11/1037312411.db2.gz RNULVFDZYPKZBU-AWEZNQCLSA-N 1 2 326.440 3.929 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000591264518 1037312427 /nfs/dbraw/zinc/31/24/27/1037312427.db2.gz RNULVFDZYPKZBU-AWEZNQCLSA-N 1 2 326.440 3.929 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1csc(C)n1 ZINC000084056488 1037326243 /nfs/dbraw/zinc/32/62/43/1037326243.db2.gz KJVVVLFTFFILEF-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000376506745 1037342308 /nfs/dbraw/zinc/34/23/08/1037342308.db2.gz MIYDLNHWWKDGMW-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000376506745 1037342326 /nfs/dbraw/zinc/34/23/26/1037342326.db2.gz MIYDLNHWWKDGMW-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO COc1cccc(-c2nc(C[N@H+](C)CCOCC3CC3)cs2)c1 ZINC000088599715 1037388255 /nfs/dbraw/zinc/38/82/55/1037388255.db2.gz MNQSYGTUTSWUBN-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+](C)CCOCC3CC3)cs2)c1 ZINC000088599715 1037388273 /nfs/dbraw/zinc/38/82/73/1037388273.db2.gz MNQSYGTUTSWUBN-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO Cc1cnc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)s1 ZINC000301587538 1037403552 /nfs/dbraw/zinc/40/35/52/1037403552.db2.gz WPJOVVXKWQRGGK-GFCCVEGCSA-N 1 2 336.424 3.754 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000493521579 1037421034 /nfs/dbraw/zinc/42/10/34/1037421034.db2.gz JFRGJFOPUIFTDV-AATRIKPKSA-N 1 2 347.871 3.860 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000493509054 1037437840 /nfs/dbraw/zinc/43/78/40/1037437840.db2.gz ACTPRQHZPCYOEV-HIFRSBDPSA-N 1 2 348.491 3.648 20 0 EHADLO O=S(=O)(CCC1=CCCCC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000414407475 1037438328 /nfs/dbraw/zinc/43/83/28/1037438328.db2.gz CQNKLBMTRYHJAF-UHFFFAOYSA-N 1 2 344.480 3.737 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573327631 1037465875 /nfs/dbraw/zinc/46/58/75/1037465875.db2.gz QQLPVJVDUYFQLS-MISYRCLQSA-N 1 2 337.467 3.630 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000491416898 1037466213 /nfs/dbraw/zinc/46/62/13/1037466213.db2.gz MPNXPVGBYJOEFJ-PLNGDYQASA-N 1 2 329.831 3.791 20 0 EHADLO CC(C)CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000591521309 1037475618 /nfs/dbraw/zinc/47/56/18/1037475618.db2.gz LWWBPFDFFZSBHM-INIZCTEOSA-N 1 2 333.476 3.638 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCCC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000591523209 1037475719 /nfs/dbraw/zinc/47/57/19/1037475719.db2.gz WEQJBDAVEFPIMZ-OAHLLOKOSA-N 1 2 333.476 3.638 20 0 EHADLO C[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000079775309 1037485711 /nfs/dbraw/zinc/48/57/11/1037485711.db2.gz DLNRACCNBFZGIB-QFIPXVFZSA-N 1 2 345.446 3.684 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000669856443 1037526041 /nfs/dbraw/zinc/52/60/41/1037526041.db2.gz XKZABHWVUWFUFK-GFCCVEGCSA-N 1 2 344.415 3.633 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493644375 1037527735 /nfs/dbraw/zinc/52/77/35/1037527735.db2.gz NQNWSDRGSWCVFW-DVQDXYAYSA-N 1 2 325.412 3.575 20 0 EHADLO COc1ccc(CCN(CC(C)(C)C)C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493689898 1037544728 /nfs/dbraw/zinc/54/47/28/1037544728.db2.gz OOIQNROICQIBBC-MDZDMXLPSA-N 1 2 341.455 3.549 20 0 EHADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000491583645 1037560094 /nfs/dbraw/zinc/56/00/94/1037560094.db2.gz LPCVRNWPQAYJLH-UHFFFAOYSA-N 1 2 327.325 3.752 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000493717232 1037576998 /nfs/dbraw/zinc/57/69/98/1037576998.db2.gz FOBLAGAUFUXBMA-STEIYFMVSA-N 1 2 333.435 3.533 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000152716031 1037579899 /nfs/dbraw/zinc/57/98/99/1037579899.db2.gz DJDFXLMGVJNIJF-OAHLLOKOSA-N 1 2 346.500 3.610 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000152716031 1037579918 /nfs/dbraw/zinc/57/99/18/1037579918.db2.gz DJDFXLMGVJNIJF-OAHLLOKOSA-N 1 2 346.500 3.610 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000573503918 1037590010 /nfs/dbraw/zinc/59/00/10/1037590010.db2.gz SIYTYRAYCIHLPX-XLIONFOSSA-N 1 2 339.483 3.992 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000573503918 1037590022 /nfs/dbraw/zinc/59/00/22/1037590022.db2.gz SIYTYRAYCIHLPX-XLIONFOSSA-N 1 2 339.483 3.992 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)c(Br)cc1F ZINC001168216137 1037678121 /nfs/dbraw/zinc/67/81/21/1037678121.db2.gz OPCQOHZMZDKTRL-UHFFFAOYSA-N 1 2 346.587 3.536 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Cl)c(Br)cc1F ZINC001168216137 1037678129 /nfs/dbraw/zinc/67/81/29/1037678129.db2.gz OPCQOHZMZDKTRL-UHFFFAOYSA-N 1 2 346.587 3.536 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCCC2(CC2)C1 ZINC000666640671 1037736581 /nfs/dbraw/zinc/73/65/81/1037736581.db2.gz QGJXMHOAZMNWAV-KRWDZBQOSA-N 1 2 327.472 3.659 20 0 EHADLO CCNC(=O)C[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000172923532 1037760161 /nfs/dbraw/zinc/76/01/61/1037760161.db2.gz GPDUTNKYWVIQLL-GOSISDBHSA-N 1 2 334.822 3.603 20 0 EHADLO CC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)Cc1ccoc1 ZINC000085791901 1037798241 /nfs/dbraw/zinc/79/82/41/1037798241.db2.gz DMMIKXYQHUYLGG-UHFFFAOYSA-N 1 2 343.452 3.848 20 0 EHADLO CC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)Cc1ccoc1 ZINC000085791901 1037798259 /nfs/dbraw/zinc/79/82/59/1037798259.db2.gz DMMIKXYQHUYLGG-UHFFFAOYSA-N 1 2 343.452 3.848 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000494068994 1037819576 /nfs/dbraw/zinc/81/95/76/1037819576.db2.gz LZCABVOGALOZQH-SNVBAGLBSA-N 1 2 330.284 3.969 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000494068994 1037819600 /nfs/dbraw/zinc/81/96/00/1037819600.db2.gz LZCABVOGALOZQH-SNVBAGLBSA-N 1 2 330.284 3.969 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152894470 1037823537 /nfs/dbraw/zinc/82/35/37/1037823537.db2.gz 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O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378086220 1037847915 /nfs/dbraw/zinc/84/79/15/1037847915.db2.gz PAVFMJSTVIMYJI-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc4[nH]ccc43)no2)cc1 ZINC000494147246 1037868662 /nfs/dbraw/zinc/86/86/62/1037868662.db2.gz ZQOOCKVEDNAFFV-UHFFFAOYSA-N 1 2 348.406 3.859 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc4[nH]ccc43)no2)cc1 ZINC000494147246 1037868678 /nfs/dbraw/zinc/86/86/78/1037868678.db2.gz ZQOOCKVEDNAFFV-UHFFFAOYSA-N 1 2 348.406 3.859 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@H](C)C3CCCCC3)[nH+]c12 ZINC000669871733 1037872506 /nfs/dbraw/zinc/87/25/06/1037872506.db2.gz YPWOOMLLKRXGQK-MRXNPFEDSA-N 1 2 342.487 3.795 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)c1nc(C2CC2)no1 ZINC000925409020 1037881892 /nfs/dbraw/zinc/88/18/92/1037881892.db2.gz BNZCIRPZPLXMDC-MLGOLLRUSA-N 1 2 329.448 3.916 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119482852 1037900874 /nfs/dbraw/zinc/90/08/74/1037900874.db2.gz LTWDUPPXAKWDSI-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO CCCc1csc(CNc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000494198776 1037910536 /nfs/dbraw/zinc/91/05/36/1037910536.db2.gz PSBBSLKVQXLMKW-UHFFFAOYSA-N 1 2 342.468 3.983 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000532626808 1037977734 /nfs/dbraw/zinc/97/77/34/1037977734.db2.gz HMDBFGUZOQNGPI-NRFANRHFSA-N 1 2 349.409 3.847 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)c[nH+]1 ZINC000454192406 1037978988 /nfs/dbraw/zinc/97/89/88/1037978988.db2.gz LDCLJMRUSFOOSL-INIZCTEOSA-N 1 2 345.443 3.874 20 0 EHADLO COc1cccc(C[NH+]2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000058468686 1037980002 /nfs/dbraw/zinc/98/00/02/1037980002.db2.gz SABMFDYGMZQFQD-UHFFFAOYSA-N 1 2 336.435 3.759 20 0 EHADLO OCC[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000304486376 1038095702 /nfs/dbraw/zinc/09/57/02/1038095702.db2.gz YGFUNJFCRWSHCW-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000304486376 1038095726 /nfs/dbraw/zinc/09/57/26/1038095726.db2.gz YGFUNJFCRWSHCW-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729617852 1038193986 /nfs/dbraw/zinc/19/39/86/1038193986.db2.gz UXLJJHFCSBXZCZ-IBGZPJMESA-N 1 2 334.423 3.583 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@@H]3CCCc4cn[nH]c43)n2)c1 ZINC000893173048 1038209275 /nfs/dbraw/zinc/20/92/75/1038209275.db2.gz KCBUWEVBLJZWKL-OAHLLOKOSA-N 1 2 340.452 3.709 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@@H]3CCCc4c[nH]nc43)n2)c1 ZINC000893173048 1038209285 /nfs/dbraw/zinc/20/92/85/1038209285.db2.gz KCBUWEVBLJZWKL-OAHLLOKOSA-N 1 2 340.452 3.709 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000107093279 1038288901 /nfs/dbraw/zinc/28/89/01/1038288901.db2.gz XJMKVNFWLYBZCZ-AWEZNQCLSA-N 1 2 332.494 3.599 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000107093279 1038288917 /nfs/dbraw/zinc/28/89/17/1038288917.db2.gz XJMKVNFWLYBZCZ-AWEZNQCLSA-N 1 2 332.494 3.599 20 0 EHADLO CCS[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(C)C ZINC000107179455 1038305943 /nfs/dbraw/zinc/30/59/43/1038305943.db2.gz NTTPLRFRUDUSEP-GOSISDBHSA-N 1 2 349.544 3.856 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCN(c3ccccc3)C[C@@H]2CC)n1 ZINC000461387064 1038385228 /nfs/dbraw/zinc/38/52/28/1038385228.db2.gz RKVBXCRXNGDWJG-INIZCTEOSA-N 1 2 328.460 3.513 20 0 EHADLO CCCCc1noc(C[N@H+]2CCN(c3ccccc3)C[C@@H]2CC)n1 ZINC000461387064 1038385238 /nfs/dbraw/zinc/38/52/38/1038385238.db2.gz RKVBXCRXNGDWJG-INIZCTEOSA-N 1 2 328.460 3.513 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](OC(F)F)C2)cs1 ZINC000549416520 1038459727 /nfs/dbraw/zinc/45/97/27/1038459727.db2.gz YCEMPRGKRZKIMM-LBPRGKRZSA-N 1 2 340.395 3.632 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC[C@H](OC(F)F)C2)cs1 ZINC000549416520 1038459732 /nfs/dbraw/zinc/45/97/32/1038459732.db2.gz YCEMPRGKRZKIMM-LBPRGKRZSA-N 1 2 340.395 3.632 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000378335353 1038475358 /nfs/dbraw/zinc/47/53/58/1038475358.db2.gz KOOWDPSKUWGSHR-UHFFFAOYSA-N 1 2 329.753 3.651 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)s1 ZINC000538730053 1038497571 /nfs/dbraw/zinc/49/75/71/1038497571.db2.gz AXFHHMOOBJGMOD-XJKSGUPXSA-N 1 2 331.485 3.744 20 0 EHADLO C[N@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccc(F)cc1Cl ZINC000538733918 1038498851 /nfs/dbraw/zinc/49/88/51/1038498851.db2.gz KPYOMOSNEXSCIU-UHFFFAOYSA-N 1 2 348.784 3.831 20 0 EHADLO C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccc(F)cc1Cl ZINC000538733918 1038498856 /nfs/dbraw/zinc/49/88/56/1038498856.db2.gz KPYOMOSNEXSCIU-UHFFFAOYSA-N 1 2 348.784 3.831 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000538737263 1038501000 /nfs/dbraw/zinc/50/10/00/1038501000.db2.gz RYFARPRPCBLCQS-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000538737263 1038501006 /nfs/dbraw/zinc/50/10/06/1038501006.db2.gz RYFARPRPCBLCQS-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000538735729 1038501231 /nfs/dbraw/zinc/50/12/31/1038501231.db2.gz XSDGPBKEBSXODE-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000538735729 1038501240 /nfs/dbraw/zinc/50/12/40/1038501240.db2.gz XSDGPBKEBSXODE-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2=O)cs1 ZINC000343853685 1038507228 /nfs/dbraw/zinc/50/72/28/1038507228.db2.gz LCQQRPJCNHKBJI-DOMZBBRYSA-N 1 2 347.459 3.745 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CCCCC1 ZINC000538750584 1038513978 /nfs/dbraw/zinc/51/39/78/1038513978.db2.gz KLWNQYWQJSWYNS-UHFFFAOYSA-N 1 2 349.519 3.953 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CCCCC1 ZINC000538750584 1038513983 /nfs/dbraw/zinc/51/39/83/1038513983.db2.gz KLWNQYWQJSWYNS-UHFFFAOYSA-N 1 2 349.519 3.953 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1Oc1cccnc1 ZINC000667143474 1038537657 /nfs/dbraw/zinc/53/76/57/1038537657.db2.gz PJISVVDIARBODC-IAGOWNOFSA-N 1 2 348.406 3.658 20 0 EHADLO CCOc1cc(/C=C/C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1O ZINC000182109969 1038541676 /nfs/dbraw/zinc/54/16/76/1038541676.db2.gz FFFAGUNJEJVOMV-VQHVLOKHSA-N 1 2 349.390 3.629 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000728748213 1038614378 /nfs/dbraw/zinc/61/43/78/1038614378.db2.gz CZEILYCJSAPHDH-OALUTQOASA-N 1 2 340.471 3.886 20 0 EHADLO Cn1ncc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1C1CC1 ZINC000893240349 1038632660 /nfs/dbraw/zinc/63/26/60/1038632660.db2.gz ZWWOKQIMDROZBM-UHFFFAOYSA-N 1 2 345.450 3.825 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000363839330 1038654094 /nfs/dbraw/zinc/65/40/94/1038654094.db2.gz XKHZORKXKDHJBT-GFCCVEGCSA-N 1 2 349.887 3.815 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(C)cn1)[C@H](c1ccccc1)C2 ZINC000660004448 1038677353 /nfs/dbraw/zinc/67/73/53/1038677353.db2.gz WVIGQMFBPDVXAF-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(C)cn1)[C@H](c1ccccc1)C2 ZINC000660004448 1038677356 /nfs/dbraw/zinc/67/73/56/1038677356.db2.gz WVIGQMFBPDVXAF-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651390476 1038731816 /nfs/dbraw/zinc/73/18/16/1038731816.db2.gz ANZXZODPRKICSW-KSSFIOAISA-N 1 2 341.430 3.511 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1c(F)cccc1F ZINC000539234459 1038745737 /nfs/dbraw/zinc/74/57/37/1038745737.db2.gz SGVJGDHXPGORLY-CYBMUJFWSA-N 1 2 330.378 3.595 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)no1 ZINC000539285648 1038760475 /nfs/dbraw/zinc/76/04/75/1038760475.db2.gz ADIILOBJKXXPFX-YLJYHZDGSA-N 1 2 349.434 3.912 20 0 EHADLO CC(C)Oc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cn1 ZINC000924692266 1038778535 /nfs/dbraw/zinc/77/85/35/1038778535.db2.gz LNQGRUWVQMHZLQ-MRXNPFEDSA-N 1 2 332.831 3.883 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC2(C)C)c(C)c1 ZINC000554019361 1038785503 /nfs/dbraw/zinc/78/55/03/1038785503.db2.gz YOQRAWAVDBNGOU-MSOLQXFVSA-N 1 2 340.471 3.729 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488046963 1038803667 /nfs/dbraw/zinc/80/36/67/1038803667.db2.gz VYGVITOJMPREDO-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488046963 1038803691 /nfs/dbraw/zinc/80/36/91/1038803691.db2.gz VYGVITOJMPREDO-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2nc3ccccc3s2)c(C)[nH+]1 ZINC000905402737 1038858435 /nfs/dbraw/zinc/85/84/35/1038858435.db2.gz ZUTGGUPWSDDIPP-UHFFFAOYSA-N 1 2 325.437 3.589 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000462229514 1038892288 /nfs/dbraw/zinc/89/22/88/1038892288.db2.gz DWIWXINRNVEUHF-QRQLOZEOSA-N 1 2 325.456 3.794 20 0 EHADLO CCOc1ccccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552036050 1038902633 /nfs/dbraw/zinc/90/26/33/1038902633.db2.gz SKJCWFMGMAJZTN-WKILWMFISA-N 1 2 339.439 3.633 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2sccc2C2CC2)[C@@H](c2ccccc2)C1 ZINC000432718279 1038907460 /nfs/dbraw/zinc/90/74/60/1038907460.db2.gz NCQAJUWEUXNHNP-QGZVFWFLSA-N 1 2 326.465 3.754 20 0 EHADLO C[N@H+]1CCN(C(=O)c2sccc2C2CC2)[C@@H](c2ccccc2)C1 ZINC000432718279 1038907472 /nfs/dbraw/zinc/90/74/72/1038907472.db2.gz NCQAJUWEUXNHNP-QGZVFWFLSA-N 1 2 326.465 3.754 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC3(C)C)n2)C1 ZINC000554110601 1038912709 /nfs/dbraw/zinc/91/27/09/1038912709.db2.gz NMZGEPIIRQWEID-TZMCWYRMSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC3(C)C)n2)C1 ZINC000554110601 1038912729 /nfs/dbraw/zinc/91/27/29/1038912729.db2.gz NMZGEPIIRQWEID-TZMCWYRMSA-N 1 2 336.505 3.685 20 0 EHADLO CCCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H](CC)c1ccccc1 ZINC000416711860 1038921193 /nfs/dbraw/zinc/92/11/93/1038921193.db2.gz BTQRNMSANCVNLN-LJQANCHMSA-N 1 2 342.487 3.926 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CC3 ZINC000485355973 1038949172 /nfs/dbraw/zinc/94/91/72/1038949172.db2.gz JNFCXGHCNWFWTI-ZIAGYGMSSA-N 1 2 328.456 3.653 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000509744362 1038983692 /nfs/dbraw/zinc/98/36/92/1038983692.db2.gz HMLDADUSNNYNPO-BBWFWOEESA-N 1 2 347.503 3.518 20 0 EHADLO Cc1nc(-c2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)n[nH]1 ZINC000097465081 1038991635 /nfs/dbraw/zinc/99/16/35/1038991635.db2.gz SHYXTVWLKVKRLX-UHFFFAOYSA-N 1 2 330.395 3.578 20 0 EHADLO Cc1[nH+]cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)n1C ZINC000667589442 1039001415 /nfs/dbraw/zinc/00/14/15/1039001415.db2.gz VHSVDPKZMYMAJT-UHFFFAOYSA-N 1 2 338.430 3.508 20 0 EHADLO Cc1cc(C)cc(OCCCO[NH+]=C(N)Cc2cccc(F)c2)c1 ZINC000783151304 1039004174 /nfs/dbraw/zinc/00/41/74/1039004174.db2.gz JAUZQRWZGFFYDL-UHFFFAOYSA-N 1 2 330.403 3.953 20 0 EHADLO FC(F)[C@@H](CCc1ccccc1)[NH2+]CCOC1CCSCC1 ZINC000898438605 1039023821 /nfs/dbraw/zinc/02/38/21/1039023821.db2.gz CXQWEJBVWFOROA-MRXNPFEDSA-N 1 2 329.456 3.755 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1cccc(F)c1F ZINC000477975358 1039074757 /nfs/dbraw/zinc/07/47/57/1039074757.db2.gz KSXXDZGKOUFLAQ-UHFFFAOYSA-N 1 2 327.334 3.845 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H](C)N1CC(F)(F)F ZINC000898471303 1039103861 /nfs/dbraw/zinc/10/38/61/1039103861.db2.gz QQYBNNFRIGUENJ-ISANGGDFSA-N 1 2 330.369 3.796 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H](C)N1CC(F)(F)F ZINC000898471303 1039103871 /nfs/dbraw/zinc/10/38/71/1039103871.db2.gz QQYBNNFRIGUENJ-ISANGGDFSA-N 1 2 330.369 3.796 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488357173 1039117366 /nfs/dbraw/zinc/11/73/66/1039117366.db2.gz OIQWUQJGMBJMHB-UHFFFAOYSA-N 1 2 347.340 3.656 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488357173 1039117375 /nfs/dbraw/zinc/11/73/75/1039117375.db2.gz OIQWUQJGMBJMHB-UHFFFAOYSA-N 1 2 347.340 3.656 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000509531381 1039141129 /nfs/dbraw/zinc/14/11/29/1039141129.db2.gz COSNKZOHTOINTL-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000509531381 1039141133 /nfs/dbraw/zinc/14/11/33/1039141133.db2.gz COSNKZOHTOINTL-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO COc1ccc([C@H](OC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859054 1039141131 /nfs/dbraw/zinc/14/11/31/1039141131.db2.gz RQWWODYGAJGAQP-CABCVRRESA-N 1 2 345.361 3.715 20 0 EHADLO COc1ccc([C@H](OC(=O)[C@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859054 1039141138 /nfs/dbraw/zinc/14/11/38/1039141138.db2.gz RQWWODYGAJGAQP-CABCVRRESA-N 1 2 345.361 3.715 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000061759383 1039166184 /nfs/dbraw/zinc/16/61/84/1039166184.db2.gz WCLLBNWITRPIOS-UHFFFAOYSA-N 1 2 330.925 3.974 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000061759383 1039166196 /nfs/dbraw/zinc/16/61/96/1039166196.db2.gz WCLLBNWITRPIOS-UHFFFAOYSA-N 1 2 330.925 3.974 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)c2cccc(C)c2)o1 ZINC000905915736 1039180141 /nfs/dbraw/zinc/18/01/41/1039180141.db2.gz WBUWWOPYIIULER-VQTJNVASSA-N 1 2 349.434 3.519 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)c2cccc(C)c2)o1 ZINC000905915736 1039180150 /nfs/dbraw/zinc/18/01/50/1039180150.db2.gz WBUWWOPYIIULER-VQTJNVASSA-N 1 2 349.434 3.519 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000488465663 1039207327 /nfs/dbraw/zinc/20/73/27/1039207327.db2.gz UEWKLZPWUCZANJ-CQSZACIVSA-N 1 2 339.782 3.640 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000552336800 1039210001 /nfs/dbraw/zinc/21/00/01/1039210001.db2.gz KBHCAXKYSDKVIU-NUEKZKHPSA-N 1 2 332.394 3.964 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311981 1039213347 /nfs/dbraw/zinc/21/33/47/1039213347.db2.gz ZWDCYKHENBXCGF-GOSISDBHSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311981 1039213360 /nfs/dbraw/zinc/21/33/60/1039213360.db2.gz ZWDCYKHENBXCGF-GOSISDBHSA-N 1 2 328.481 3.756 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)cc1Cl ZINC000488532981 1039248790 /nfs/dbraw/zinc/24/87/90/1039248790.db2.gz XSACEYMCLVTTPP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)cc1Cl ZINC000488532981 1039248806 /nfs/dbraw/zinc/24/88/06/1039248806.db2.gz XSACEYMCLVTTPP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123416 1039252768 /nfs/dbraw/zinc/25/27/68/1039252768.db2.gz ATRAZMCCGVVMBL-ZIAGYGMSSA-N 1 2 348.878 3.873 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123416 1039252784 /nfs/dbraw/zinc/25/27/84/1039252784.db2.gz ATRAZMCCGVVMBL-ZIAGYGMSSA-N 1 2 348.878 3.873 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000488544751 1039260812 /nfs/dbraw/zinc/26/08/12/1039260812.db2.gz AIYAFADZCQREKV-UHFFFAOYSA-N 1 2 343.858 3.503 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnn(CC(C)C)c2)C3)cc1 ZINC000488536431 1039268933 /nfs/dbraw/zinc/26/89/33/1039268933.db2.gz NURLBTATERHGLB-UHFFFAOYSA-N 1 2 349.482 3.592 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnn(CC(C)C)c2)C3)cc1 ZINC000488536431 1039268947 /nfs/dbraw/zinc/26/89/47/1039268947.db2.gz NURLBTATERHGLB-UHFFFAOYSA-N 1 2 349.482 3.592 20 0 EHADLO CCC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1nnc2ccccn21 ZINC000480230473 1039312152 /nfs/dbraw/zinc/31/21/52/1039312152.db2.gz QYPMYZWOEUNQNS-IUODEOHRSA-N 1 2 329.835 3.970 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151244048 1039321682 /nfs/dbraw/zinc/32/16/82/1039321682.db2.gz HSRAGOHOLDVGDU-WDSOQIARSA-N 1 2 340.471 3.990 20 0 EHADLO CCCc1[nH+]c(C)cc(OCCc2scnc2C)c1C(=O)OC ZINC000419034785 1039322789 /nfs/dbraw/zinc/32/27/89/1039322789.db2.gz GHZSRWFZOVWOBZ-UHFFFAOYSA-N 1 2 334.441 3.516 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000237348089 1039343796 /nfs/dbraw/zinc/34/37/96/1039343796.db2.gz YZYRVYWVMGNXPI-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1Cl ZINC000554453239 1039349195 /nfs/dbraw/zinc/34/91/95/1039349195.db2.gz YWGULUFUMLCZIH-UHFFFAOYSA-N 1 2 334.769 3.861 20 0 EHADLO COc1ccc2cc(CN(C)C(=O)C[C@@H](C)n3cc[nH+]c3)ccc2c1 ZINC000552526394 1039353135 /nfs/dbraw/zinc/35/31/35/1039353135.db2.gz YQZLRABFIDAHSK-OAHLLOKOSA-N 1 2 337.423 3.655 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000552554248 1039365395 /nfs/dbraw/zinc/36/53/95/1039365395.db2.gz BEMZJGAJQSIIET-SFHVURJKSA-N 1 2 347.462 3.909 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(Br)s1 ZINC000480272432 1039368000 /nfs/dbraw/zinc/36/80/00/1039368000.db2.gz BLNFGIGQOMWDQV-VIFPVBQESA-N 1 2 343.294 3.708 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(C(F)(F)F)CCCCC1 ZINC000667651744 1039382097 /nfs/dbraw/zinc/38/20/97/1039382097.db2.gz GTIBKKQDERERCO-UHFFFAOYSA-N 1 2 329.366 3.629 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCO1 ZINC000906198849 1039403514 /nfs/dbraw/zinc/40/35/14/1039403514.db2.gz CTVHNRWGORTHAU-KDOFPFPSSA-N 1 2 339.439 3.640 20 0 EHADLO COCCCOc1cccc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155951955 1039406871 /nfs/dbraw/zinc/40/68/71/1039406871.db2.gz IYWCRQIDGMBGED-UHFFFAOYSA-N 1 2 337.423 3.900 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)[nH]1 ZINC000432820234 1039413713 /nfs/dbraw/zinc/41/37/13/1039413713.db2.gz CMZSKBCHXDFLNB-CQSZACIVSA-N 1 2 330.501 3.716 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)[nH]1 ZINC000432820234 1039413719 /nfs/dbraw/zinc/41/37/19/1039413719.db2.gz CMZSKBCHXDFLNB-CQSZACIVSA-N 1 2 330.501 3.716 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000478413408 1039428154 /nfs/dbraw/zinc/42/81/54/1039428154.db2.gz BZJHGNNQVYIPRM-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3c3cccc(C)n3)nn2)cc1 ZINC000906272799 1039430739 /nfs/dbraw/zinc/43/07/39/1039430739.db2.gz HWPVPWFTTBDLBM-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3c3cccc(C)n3)nn2)cc1 ZINC000906272799 1039430744 /nfs/dbraw/zinc/43/07/44/1039430744.db2.gz HWPVPWFTTBDLBM-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700721 1039449200 /nfs/dbraw/zinc/44/92/00/1039449200.db2.gz ZLKANCYAILDRIK-OLZOCXBDSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700721 1039449206 /nfs/dbraw/zinc/44/92/06/1039449206.db2.gz ZLKANCYAILDRIK-OLZOCXBDSA-N 1 2 325.733 3.757 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nn1)c1ccccc1OC ZINC000906286971 1039451679 /nfs/dbraw/zinc/45/16/79/1039451679.db2.gz GZVVGIRCYDELBG-QGZVFWFLSA-N 1 2 340.402 3.656 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000554547984 1039452349 /nfs/dbraw/zinc/45/23/49/1039452349.db2.gz VADVCGHGXKSDGV-UHFFFAOYSA-N 1 2 333.505 3.827 20 0 EHADLO Clc1ccc2ccc(N3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000480429468 1039552913 /nfs/dbraw/zinc/55/29/13/1039552913.db2.gz YNHLMSVYZHHLRB-INIZCTEOSA-N 1 2 325.799 3.941 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000489051406 1039571086 /nfs/dbraw/zinc/57/10/86/1039571086.db2.gz ZNEHSVDQGMDUQY-DLBZAZTESA-N 1 2 325.456 3.721 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1C ZINC000489064252 1039602790 /nfs/dbraw/zinc/60/27/90/1039602790.db2.gz RQGZTCYZCZZXBF-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1C ZINC000489064252 1039602795 /nfs/dbraw/zinc/60/27/95/1039602795.db2.gz RQGZTCYZCZZXBF-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO Cc1sc(NC(=O)[C@H](C)[NH+]2CC(C)C2)nc1-c1ccc(F)cc1 ZINC000552918900 1039635849 /nfs/dbraw/zinc/63/58/49/1039635849.db2.gz KIOQPXXKDYNHPU-NSHDSACASA-N 1 2 333.432 3.536 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2(C3CC3)CCC2)c1)[NH+]1CCOCC1 ZINC000906576390 1039654423 /nfs/dbraw/zinc/65/44/23/1039654423.db2.gz SGCDTQXTLPMXHV-HNNXBMFYSA-N 1 2 328.456 3.599 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000667697471 1039670778 /nfs/dbraw/zinc/67/07/78/1039670778.db2.gz AZCWMYTYTGXGTK-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1c(Br)cncc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000667697471 1039670786 /nfs/dbraw/zinc/67/07/86/1039670786.db2.gz AZCWMYTYTGXGTK-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO CC(C)(CNC(=O)CCc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000898899010 1039673885 /nfs/dbraw/zinc/67/38/85/1039673885.db2.gz BDHWLZUPRHRWCR-UHFFFAOYSA-N 1 2 340.254 3.674 20 0 EHADLO Clc1cccc2c(NCCCc3nnc4ccccn43)cc[nH+]c12 ZINC000552998105 1039693870 /nfs/dbraw/zinc/69/38/70/1039693870.db2.gz SCPKRAGLPMEFRO-UHFFFAOYSA-N 1 2 337.814 3.976 20 0 EHADLO CC(C)(CNC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)n1cc[nH+]c1 ZINC000898909031 1039698362 /nfs/dbraw/zinc/69/83/62/1039698362.db2.gz GUBZYUDQXHTNEG-ZFWWWQNUSA-N 1 2 349.837 3.721 20 0 EHADLO COc1ccccc1C1([NH2+]Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000646000726 1039739242 /nfs/dbraw/zinc/73/92/42/1039739242.db2.gz RAJMJGZBTOIPGN-UHFFFAOYSA-N 1 2 337.398 3.799 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000067652757 1039741056 /nfs/dbraw/zinc/74/10/56/1039741056.db2.gz OBZWWPJCCJSPSZ-OAHLLOKOSA-N 1 2 349.525 3.704 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000067652757 1039741081 /nfs/dbraw/zinc/74/10/81/1039741081.db2.gz OBZWWPJCCJSPSZ-OAHLLOKOSA-N 1 2 349.525 3.704 20 0 EHADLO Cc1ccc(Br)cc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000893897879 1039795034 /nfs/dbraw/zinc/79/50/34/1039795034.db2.gz HGRIMKGNJJCJIK-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO CCSc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000478971208 1039848563 /nfs/dbraw/zinc/84/85/63/1039848563.db2.gz ZMACGRXBBWGARW-YOEHRIQHSA-N 1 2 329.469 3.718 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000554866867 1039854440 /nfs/dbraw/zinc/85/44/40/1039854440.db2.gz MQJAZJCBBVJXIH-RPHSKFLZSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000554866867 1039854465 /nfs/dbraw/zinc/85/44/65/1039854465.db2.gz MQJAZJCBBVJXIH-RPHSKFLZSA-N 1 2 336.361 3.777 20 0 EHADLO Cc1nc(-c2cccc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)c2)cs1 ZINC000898999259 1039862297 /nfs/dbraw/zinc/86/22/97/1039862297.db2.gz GSZBAAVYYYVMFG-CYBMUJFWSA-N 1 2 340.452 3.583 20 0 EHADLO FC(F)COCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554862208 1039876732 /nfs/dbraw/zinc/87/67/32/1039876732.db2.gz ANHSGMTUNUGVKQ-CQSZACIVSA-N 1 2 341.295 3.858 20 0 EHADLO FC(F)COCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554862208 1039876747 /nfs/dbraw/zinc/87/67/47/1039876747.db2.gz ANHSGMTUNUGVKQ-CQSZACIVSA-N 1 2 341.295 3.858 20 0 EHADLO C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@H]1CC1(C)C ZINC000489405148 1039922931 /nfs/dbraw/zinc/92/29/31/1039922931.db2.gz NNLOYPIIKLDGIA-HNNXBMFYSA-N 1 2 329.469 3.555 20 0 EHADLO C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@H]1CC1(C)C ZINC000489405148 1039922952 /nfs/dbraw/zinc/92/29/52/1039922952.db2.gz NNLOYPIIKLDGIA-HNNXBMFYSA-N 1 2 329.469 3.555 20 0 EHADLO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000912496043 1039923397 /nfs/dbraw/zinc/92/33/97/1039923397.db2.gz QLJNVJTVRGVWEG-JSGCOSHPSA-N 1 2 338.423 3.820 20 0 EHADLO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000924749159 1039998709 /nfs/dbraw/zinc/99/87/09/1039998709.db2.gz FOGCGGYTZULGMI-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(F)nc1 ZINC000188553552 1039998724 /nfs/dbraw/zinc/99/87/24/1039998724.db2.gz XCWVVQATWONGIZ-UHFFFAOYSA-N 1 2 328.391 3.609 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000486237058 1040003801 /nfs/dbraw/zinc/00/38/01/1040003801.db2.gz WOPHGSRIISXWEE-ROUUACIJSA-N 1 2 348.535 3.991 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ncccc1C(F)(F)F ZINC000489469375 1040010626 /nfs/dbraw/zinc/01/06/26/1040010626.db2.gz AZZUCJBWKHGJRA-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ncccc1C(F)(F)F ZINC000489469375 1040010640 /nfs/dbraw/zinc/01/06/40/1040010640.db2.gz AZZUCJBWKHGJRA-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000554970528 1040015400 /nfs/dbraw/zinc/01/54/00/1040015400.db2.gz FEJPIPGWUVTPMZ-TWGQIWQCSA-N 1 2 326.484 3.670 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012651 1040059817 /nfs/dbraw/zinc/05/98/17/1040059817.db2.gz KHOGGKNUUZVDNG-RBUKOAKNSA-N 1 2 333.378 3.726 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012651 1040059831 /nfs/dbraw/zinc/05/98/31/1040059831.db2.gz KHOGGKNUUZVDNG-RBUKOAKNSA-N 1 2 333.378 3.726 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000486396198 1040109354 /nfs/dbraw/zinc/10/93/54/1040109354.db2.gz HVAKRFVXFLVGTA-SOAMZJECSA-N 1 2 349.478 3.525 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nsc2ccccc21 ZINC000907740583 1040141312 /nfs/dbraw/zinc/14/13/12/1040141312.db2.gz NYDBXXUGZYCFCK-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO CC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@@H](C)c1cccc(O)c1 ZINC000153986769 1040149730 /nfs/dbraw/zinc/14/97/30/1040149730.db2.gz OSUVBTZKTIKIQR-LBPRGKRZSA-N 1 2 340.427 3.711 20 0 EHADLO CC[N@@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@@H](C)c1cccc(O)c1 ZINC000153986769 1040149748 /nfs/dbraw/zinc/14/97/48/1040149748.db2.gz OSUVBTZKTIKIQR-LBPRGKRZSA-N 1 2 340.427 3.711 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000907823142 1040189910 /nfs/dbraw/zinc/18/99/10/1040189910.db2.gz KDIYMYMWFXDZCM-SNVBAGLBSA-N 1 2 343.374 3.973 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000893318019 1040198170 /nfs/dbraw/zinc/19/81/70/1040198170.db2.gz PFPCSRORUCJRAT-CQSZACIVSA-N 1 2 335.400 3.677 20 0 EHADLO CCCOc1cccc2c(N[C@@H](C)C(=O)NC(C)(C)C)cc[nH+]c12 ZINC000486510289 1040201073 /nfs/dbraw/zinc/20/10/73/1040201073.db2.gz WOUKBQLFISJDLR-ZDUSSCGKSA-N 1 2 329.444 3.739 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)n(C)n1 ZINC000417734567 1040203656 /nfs/dbraw/zinc/20/36/56/1040203656.db2.gz YSQBPVBYCKQOTG-KRWDZBQOSA-N 1 2 329.494 3.999 20 0 EHADLO Cc1cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)n(C)n1 ZINC000417734567 1040203673 /nfs/dbraw/zinc/20/36/73/1040203673.db2.gz YSQBPVBYCKQOTG-KRWDZBQOSA-N 1 2 329.494 3.999 20 0 EHADLO COCCC[C@@H](Cc1ccccc1)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907874392 1040223379 /nfs/dbraw/zinc/22/33/79/1040223379.db2.gz RISGGDYULWHFIA-IBGZPJMESA-N 1 2 340.467 3.775 20 0 EHADLO C/C(=C\C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000178375450 1040298693 /nfs/dbraw/zinc/29/86/93/1040298693.db2.gz LHSRLFWYOFWSDF-UKTHLTGXSA-N 1 2 325.799 3.707 20 0 EHADLO COc1ccc(OC)c(CN(Cc2c[nH+]c3n2CCC3)C(C)(C)C)c1 ZINC000667500901 1040307285 /nfs/dbraw/zinc/30/72/85/1040307285.db2.gz FIIMMBZSOQYERA-UHFFFAOYSA-N 1 2 343.471 3.647 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)Cc1ccsc1 ZINC000152920080 1040329216 /nfs/dbraw/zinc/32/92/16/1040329216.db2.gz QSKQYVNVFZTALZ-SNVBAGLBSA-N 1 2 349.456 3.956 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)Cc1ccsc1 ZINC000152920080 1040329228 /nfs/dbraw/zinc/32/92/28/1040329228.db2.gz QSKQYVNVFZTALZ-SNVBAGLBSA-N 1 2 349.456 3.956 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000555244589 1040333724 /nfs/dbraw/zinc/33/37/24/1040333724.db2.gz VSKJREBLXBUHEM-VQTJNVASSA-N 1 2 333.435 3.882 20 0 EHADLO Brc1cccc([C@H]2CCCN2Cc2c[nH+]c3n2CCC3)c1 ZINC000667511485 1040364114 /nfs/dbraw/zinc/36/41/14/1040364114.db2.gz NLQPIRJHZLMKFW-MRXNPFEDSA-N 1 2 346.272 3.929 20 0 EHADLO FC(F)c1nc2ccc(Cl)cc2c(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000663919603 1040411052 /nfs/dbraw/zinc/41/10/52/1040411052.db2.gz PZQOIAHILYPSOD-UHFFFAOYSA-N 1 2 335.745 3.507 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000565171918 1040454539 /nfs/dbraw/zinc/45/45/39/1040454539.db2.gz NFVFMKLLNQJEKB-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000565171918 1040454546 /nfs/dbraw/zinc/45/45/46/1040454546.db2.gz NFVFMKLLNQJEKB-JTQLQIEISA-N 1 2 326.227 3.554 20 0 EHADLO CCCc1c(NCc2c[nH+]cn2CC)cnn1-c1ccc(F)cc1 ZINC000418023045 1040461864 /nfs/dbraw/zinc/46/18/64/1040461864.db2.gz BLBVDHRUECQJLG-UHFFFAOYSA-N 1 2 327.407 3.792 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H]3CCCCC34CCCC4)[nH+]cn2)CC1 ZINC000663927282 1040486890 /nfs/dbraw/zinc/48/68/90/1040486890.db2.gz MOOLPACHDMSOJX-INIZCTEOSA-N 1 2 344.503 3.743 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H]3CCCCC34CCCC4)nc[nH+]2)CC1 ZINC000663927282 1040486905 /nfs/dbraw/zinc/48/69/05/1040486905.db2.gz MOOLPACHDMSOJX-INIZCTEOSA-N 1 2 344.503 3.743 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(C)[nH+]1 ZINC000912975940 1040497515 /nfs/dbraw/zinc/49/75/15/1040497515.db2.gz FCSFCAORMVVFBN-UHFFFAOYSA-N 1 2 342.414 3.830 20 0 EHADLO C/C(=C\C(=O)Nc1ccc(Cl)cc1C(C)C)C[NH+]1CCOCC1 ZINC000913013579 1040532175 /nfs/dbraw/zinc/53/21/75/1040532175.db2.gz FRTKRXZYSBEDDS-GXDHUFHOSA-N 1 2 336.863 3.680 20 0 EHADLO Cc1c(C[NH2+][C@@H](C)c2ncc(C(F)(F)F)cc2Cl)cnn1C ZINC000925648573 1040552157 /nfs/dbraw/zinc/55/21/57/1040552157.db2.gz VXLLMDWSCCCTNB-QMMMGPOBSA-N 1 2 332.757 3.647 20 0 EHADLO CCC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000411198198 1040567941 /nfs/dbraw/zinc/56/79/41/1040567941.db2.gz DYBUMUKZWIATRL-OAHLLOKOSA-N 1 2 339.418 3.775 20 0 EHADLO CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000411198198 1040567954 /nfs/dbraw/zinc/56/79/54/1040567954.db2.gz DYBUMUKZWIATRL-OAHLLOKOSA-N 1 2 339.418 3.775 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247371902 1040571301 /nfs/dbraw/zinc/57/13/01/1040571301.db2.gz HSFGTKXNFWJQBC-GJYPPUQNSA-N 1 2 341.455 3.784 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000163120104 1040591935 /nfs/dbraw/zinc/59/19/35/1040591935.db2.gz GRPAKUOZGZCLJA-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000163120104 1040591953 /nfs/dbraw/zinc/59/19/53/1040591953.db2.gz GRPAKUOZGZCLJA-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954305 1040627164 /nfs/dbraw/zinc/62/71/64/1040627164.db2.gz NEUHLDPRENUOSS-HOTGVXAUSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954305 1040627170 /nfs/dbraw/zinc/62/71/70/1040627170.db2.gz NEUHLDPRENUOSS-HOTGVXAUSA-N 1 2 327.428 3.625 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000278830328 1040654895 /nfs/dbraw/zinc/65/48/95/1040654895.db2.gz JORHQWBATQZAGL-ZDUSSCGKSA-N 1 2 341.386 3.659 20 0 EHADLO COc1cccc(C2(F)CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000500174876 1040664934 /nfs/dbraw/zinc/66/49/34/1040664934.db2.gz XNJONVARMVBZSY-AWEZNQCLSA-N 1 2 337.435 3.686 20 0 EHADLO COc1cccc(C2(F)CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000500174877 1040665686 /nfs/dbraw/zinc/66/56/86/1040665686.db2.gz XNJONVARMVBZSY-CQSZACIVSA-N 1 2 337.435 3.686 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000600111423 1040674880 /nfs/dbraw/zinc/67/48/80/1040674880.db2.gz IPWAMEPLUDPIFM-GOSISDBHSA-N 1 2 342.464 3.548 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000600111423 1040674887 /nfs/dbraw/zinc/67/48/87/1040674887.db2.gz IPWAMEPLUDPIFM-GOSISDBHSA-N 1 2 342.464 3.548 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC2(CC1)OCCc1ccccc12 ZINC000663990118 1040711704 /nfs/dbraw/zinc/71/17/04/1040711704.db2.gz DQEXVTZJKVUUHW-UHFFFAOYSA-N 1 2 345.446 3.885 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCC[C@@H]1C1CCC1 ZINC000645146181 1040718263 /nfs/dbraw/zinc/71/82/63/1040718263.db2.gz QYHFOOXJLBLBKE-GOSISDBHSA-N 1 2 342.487 3.546 20 0 EHADLO CCOC(=O)c1cccc(CNc2cc(CSCC)cc[nH+]2)n1 ZINC000600142792 1040719360 /nfs/dbraw/zinc/71/93/60/1040719360.db2.gz PFDXXIJEAXHEMI-UHFFFAOYSA-N 1 2 331.441 3.519 20 0 EHADLO CC[C@](C)(NC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1nc(C)cs1 ZINC000162599706 1040725206 /nfs/dbraw/zinc/72/52/06/1040725206.db2.gz UMZBDOVAVGELAE-KRWDZBQOSA-N 1 2 347.488 3.668 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CC[C@H]1CCc2ccccc21)c1ccco1 ZINC000660363956 1040771066 /nfs/dbraw/zinc/77/10/66/1040771066.db2.gz AELWSKWYVQGFRC-QZTJIDSGSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CC[C@H]1CCc2ccccc21)c1ccco1 ZINC000660363956 1040771080 /nfs/dbraw/zinc/77/10/80/1040771080.db2.gz AELWSKWYVQGFRC-QZTJIDSGSA-N 1 2 339.435 3.673 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)[C@@H]1SC ZINC000600189419 1040799083 /nfs/dbraw/zinc/79/90/83/1040799083.db2.gz GHDMLEGCULQRJX-QXSJWSMHSA-N 1 2 329.456 3.752 20 0 EHADLO CCn1cc(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)nn1 ZINC000893345907 1040828330 /nfs/dbraw/zinc/82/83/30/1040828330.db2.gz ZLBQZZIVMYVXQZ-NRFANRHFSA-N 1 2 348.450 3.502 20 0 EHADLO CC[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CCO[C@@H](CC)C3)c2C)CCO1 ZINC000664028095 1040875512 /nfs/dbraw/zinc/87/55/12/1040875512.db2.gz LWJIWGPGWUCFKW-VQHPVUNQSA-N 1 2 348.491 3.524 20 0 EHADLO CC[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CCO[C@@H](CC)C3)c2C)CCO1 ZINC000664028095 1040875523 /nfs/dbraw/zinc/87/55/23/1040875523.db2.gz LWJIWGPGWUCFKW-VQHPVUNQSA-N 1 2 348.491 3.524 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCCCOC(F)F)c12 ZINC000509527994 1040904213 /nfs/dbraw/zinc/90/42/13/1040904213.db2.gz PGLREWJOVUHIFR-UHFFFAOYSA-N 1 2 349.150 3.600 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc2ccccc21 ZINC000899655977 1040922016 /nfs/dbraw/zinc/92/20/16/1040922016.db2.gz GWFPGGLWMFSOQR-OXJNMPFZSA-N 1 2 333.435 3.866 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000899655369 1040922676 /nfs/dbraw/zinc/92/26/76/1040922676.db2.gz KPHPRKWBSGYITJ-LPHOPBHVSA-N 1 2 333.435 3.866 20 0 EHADLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433167609 1040957029 /nfs/dbraw/zinc/95/70/29/1040957029.db2.gz JLYLJKXJDHIQSS-KRWDZBQOSA-N 1 2 344.480 3.854 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156305615 1040966862 /nfs/dbraw/zinc/96/68/62/1040966862.db2.gz YUOMSAZSRKHULB-YLJYHZDGSA-N 1 2 345.487 3.623 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156305615 1040966882 /nfs/dbraw/zinc/96/68/82/1040966882.db2.gz YUOMSAZSRKHULB-YLJYHZDGSA-N 1 2 345.487 3.623 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000629449164 1040980610 /nfs/dbraw/zinc/98/06/10/1040980610.db2.gz YDRGKHWMLFJQFI-HNNXBMFYSA-N 1 2 335.451 3.836 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000629449164 1040980639 /nfs/dbraw/zinc/98/06/39/1040980639.db2.gz YDRGKHWMLFJQFI-HNNXBMFYSA-N 1 2 335.451 3.836 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCCc3ccc(Cl)cc3)[nH+]c12 ZINC000586758504 1041001962 /nfs/dbraw/zinc/00/19/62/1041001962.db2.gz YUGLUMNJSALEMO-UHFFFAOYSA-N 1 2 341.842 3.588 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000481527326 1041024968 /nfs/dbraw/zinc/02/49/68/1041024968.db2.gz JJRYHCDFQIIRIJ-OAHLLOKOSA-N 1 2 333.453 3.545 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481527326 1041024986 /nfs/dbraw/zinc/02/49/86/1041024986.db2.gz JJRYHCDFQIIRIJ-OAHLLOKOSA-N 1 2 333.453 3.545 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000481564271 1041061855 /nfs/dbraw/zinc/06/18/55/1041061855.db2.gz OSHXQGANWPDNHP-HNAYVOBHSA-N 1 2 329.415 3.612 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCC3)CC2)c(C)n1C1CC1 ZINC000419283746 1041077709 /nfs/dbraw/zinc/07/77/09/1041077709.db2.gz KCRRMQHRWODBND-UHFFFAOYSA-N 1 2 330.472 3.656 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147869 1041093030 /nfs/dbraw/zinc/09/30/30/1041093030.db2.gz ONSBHULYXWJWEB-XLIONFOSSA-N 1 2 348.494 3.574 20 0 EHADLO O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364392719 1041106005 /nfs/dbraw/zinc/10/60/05/1041106005.db2.gz WXUIHJGMKPGKAK-SNAWJCMRSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364392719 1041106013 /nfs/dbraw/zinc/10/60/13/1041106013.db2.gz WXUIHJGMKPGKAK-SNAWJCMRSA-N 1 2 349.356 3.848 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC000899781526 1041105992 /nfs/dbraw/zinc/10/59/92/1041105992.db2.gz CCBHGIQHAMAGFD-IAGOWNOFSA-N 1 2 329.444 3.880 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC000899781526 1041106004 /nfs/dbraw/zinc/10/60/04/1041106004.db2.gz CCBHGIQHAMAGFD-IAGOWNOFSA-N 1 2 329.444 3.880 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000570939779 1041120426 /nfs/dbraw/zinc/12/04/26/1041120426.db2.gz MHCQRTUHIIVYPG-HZPDHXFCSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000570939779 1041120430 /nfs/dbraw/zinc/12/04/30/1041120430.db2.gz MHCQRTUHIIVYPG-HZPDHXFCSA-N 1 2 325.456 3.605 20 0 EHADLO O=C(NC[C@@H]1SCCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000487903157 1041154314 /nfs/dbraw/zinc/15/43/14/1041154314.db2.gz CJSYGRVLNNGOGM-IBGZPJMESA-N 1 2 349.459 3.633 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000433255365 1041163817 /nfs/dbraw/zinc/16/38/17/1041163817.db2.gz GJJYHIYIOAINCY-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000433255365 1041163826 /nfs/dbraw/zinc/16/38/26/1041163826.db2.gz GJJYHIYIOAINCY-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571062488 1041172970 /nfs/dbraw/zinc/17/29/70/1041172970.db2.gz VWXLUGHBNTVOBT-RDJZCZTQSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858399 1041179662 /nfs/dbraw/zinc/17/96/62/1041179662.db2.gz MTWCGLUZLFCEEQ-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858399 1041179675 /nfs/dbraw/zinc/17/96/75/1041179675.db2.gz MTWCGLUZLFCEEQ-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Fc1cc(F)cc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)c1 ZINC000364409654 1041216527 /nfs/dbraw/zinc/21/65/27/1041216527.db2.gz CUSVVBJCDUVLOC-LBPRGKRZSA-N 1 2 342.349 3.794 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000345086851 1041235227 /nfs/dbraw/zinc/23/52/27/1041235227.db2.gz VUFMGZQIQDJSTN-CXAGYDPISA-N 1 2 331.437 3.745 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000345086851 1041235245 /nfs/dbraw/zinc/23/52/45/1041235245.db2.gz VUFMGZQIQDJSTN-CXAGYDPISA-N 1 2 331.437 3.745 20 0 EHADLO Clc1cccc([C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000433298664 1041250100 /nfs/dbraw/zinc/25/01/00/1041250100.db2.gz PDTWWZOIQDCFNB-INIZCTEOSA-N 1 2 338.842 3.910 20 0 EHADLO Clc1cccc([C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000433298664 1041250114 /nfs/dbraw/zinc/25/01/14/1041250114.db2.gz PDTWWZOIQDCFNB-INIZCTEOSA-N 1 2 338.842 3.910 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(C)C)c2)on1 ZINC000052008825 1041261441 /nfs/dbraw/zinc/26/14/41/1041261441.db2.gz WZBIGDBJCQGWPS-QGZVFWFLSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(C)C)c2)on1 ZINC000052008825 1041261458 /nfs/dbraw/zinc/26/14/58/1041261458.db2.gz WZBIGDBJCQGWPS-QGZVFWFLSA-N 1 2 327.428 3.882 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000052074474 1041267887 /nfs/dbraw/zinc/26/78/87/1041267887.db2.gz UDQJCWIDWGRJBX-INIZCTEOSA-N 1 2 340.442 3.667 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000052074474 1041267904 /nfs/dbraw/zinc/26/79/04/1041267904.db2.gz UDQJCWIDWGRJBX-INIZCTEOSA-N 1 2 340.442 3.667 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccccc1-c1ccccc1 ZINC000043329122 1041271038 /nfs/dbraw/zinc/27/10/38/1041271038.db2.gz MJWIETLOVJOLMU-UHFFFAOYSA-N 1 2 332.407 3.982 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000052009721 1041275474 /nfs/dbraw/zinc/27/54/74/1041275474.db2.gz WQFKXDPAHQMPAL-ZWKOTPCHSA-N 1 2 341.455 3.778 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000052009721 1041275491 /nfs/dbraw/zinc/27/54/91/1041275491.db2.gz WQFKXDPAHQMPAL-ZWKOTPCHSA-N 1 2 341.455 3.778 20 0 EHADLO Cn1c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)nnc1C1CCC1 ZINC000433315886 1041287185 /nfs/dbraw/zinc/28/71/85/1041287185.db2.gz CNXCQNGERCUWTP-HNNXBMFYSA-N 1 2 330.863 3.726 20 0 EHADLO Cn1c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)nnc1C1CCC1 ZINC000433315886 1041287194 /nfs/dbraw/zinc/28/71/94/1041287194.db2.gz CNXCQNGERCUWTP-HNNXBMFYSA-N 1 2 330.863 3.726 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162732262 1041287314 /nfs/dbraw/zinc/28/73/14/1041287314.db2.gz XDDQFJSXZACBDK-QGZVFWFLSA-N 1 2 346.434 3.500 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162732262 1041287328 /nfs/dbraw/zinc/28/73/28/1041287328.db2.gz XDDQFJSXZACBDK-QGZVFWFLSA-N 1 2 346.434 3.500 20 0 EHADLO FC1(F)CSC2(C[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207509548 1041327223 /nfs/dbraw/zinc/32/72/23/1041327223.db2.gz JLMWXXHWYSNCSC-UHFFFAOYSA-N 1 2 348.256 3.818 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1c[nH]c2ccccc21 ZINC000278836553 1041330411 /nfs/dbraw/zinc/33/04/11/1041330411.db2.gz ZGHKNJYZSYESPH-AWEZNQCLSA-N 1 2 336.439 3.791 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000419329388 1041373786 /nfs/dbraw/zinc/37/37/86/1041373786.db2.gz GGZIDAWTJQWGAZ-GXFFZTMASA-N 1 2 337.769 3.602 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000433394323 1041383468 /nfs/dbraw/zinc/38/34/68/1041383468.db2.gz AEFABZUFMZEEIO-UHFFFAOYSA-N 1 2 328.460 3.691 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)s1 ZINC000020542009 1041411711 /nfs/dbraw/zinc/41/17/11/1041411711.db2.gz CHQJVUUQDXTLDG-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccccc1Cc1ccccc1 ZINC000043339696 1041517648 /nfs/dbraw/zinc/51/76/48/1041517648.db2.gz BLODGGVFLADQQA-UHFFFAOYSA-N 1 2 346.434 3.906 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000468804784 1041599503 /nfs/dbraw/zinc/59/95/03/1041599503.db2.gz DGADOWCFSSJJQX-LPHOPBHVSA-N 1 2 345.487 3.993 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000026630630 1041721413 /nfs/dbraw/zinc/72/14/13/1041721413.db2.gz GFVYJFJPHIBTMW-CYBMUJFWSA-N 1 2 334.489 3.736 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000026630630 1041721419 /nfs/dbraw/zinc/72/14/19/1041721419.db2.gz GFVYJFJPHIBTMW-CYBMUJFWSA-N 1 2 334.489 3.736 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618035 1041729665 /nfs/dbraw/zinc/72/96/65/1041729665.db2.gz CHPOWSOIZIFKSH-BXUZGUMPSA-N 1 2 336.892 3.948 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000660618035 1041729668 /nfs/dbraw/zinc/72/96/68/1041729668.db2.gz CHPOWSOIZIFKSH-BXUZGUMPSA-N 1 2 336.892 3.948 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccnc1 ZINC000660640552 1041745395 /nfs/dbraw/zinc/74/53/95/1041745395.db2.gz UMRAFHUQDASUKQ-KRWDZBQOSA-N 1 2 343.452 3.648 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000343872534 1041756581 /nfs/dbraw/zinc/75/65/81/1041756581.db2.gz MVTNTPYMVWRKNN-GOSISDBHSA-N 1 2 349.482 3.592 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000343872534 1041756588 /nfs/dbraw/zinc/75/65/88/1041756588.db2.gz MVTNTPYMVWRKNN-GOSISDBHSA-N 1 2 349.482 3.592 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3ccc(Cl)cn3)CC2)c1F ZINC000660663201 1041759125 /nfs/dbraw/zinc/75/91/25/1041759125.db2.gz UXLVJDDDFDDGEW-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3ccc(Cl)cn3)CC2)c1F ZINC000660663201 1041759130 /nfs/dbraw/zinc/75/91/30/1041759130.db2.gz UXLVJDDDFDDGEW-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)nn1C ZINC000591502166 1041765122 /nfs/dbraw/zinc/76/51/22/1041765122.db2.gz BMBGEIBWFVZNMB-UHFFFAOYSA-N 1 2 349.862 3.627 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccn2)Cc2ccccc2C)nc(C)n1 ZINC000660678910 1041766996 /nfs/dbraw/zinc/76/69/96/1041766996.db2.gz FQYJAWLSVXJNJU-UHFFFAOYSA-N 1 2 332.451 3.999 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccn2)Cc2ccccc2C)nc(C)n1 ZINC000660678910 1041767000 /nfs/dbraw/zinc/76/70/00/1041767000.db2.gz FQYJAWLSVXJNJU-UHFFFAOYSA-N 1 2 332.451 3.999 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000660738709 1041798201 /nfs/dbraw/zinc/79/82/01/1041798201.db2.gz CWEYLBWMQQMPQI-LBPRGKRZSA-N 1 2 343.418 3.612 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000660738709 1041798208 /nfs/dbraw/zinc/79/82/08/1041798208.db2.gz CWEYLBWMQQMPQI-LBPRGKRZSA-N 1 2 343.418 3.612 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660749139 1041804184 /nfs/dbraw/zinc/80/41/84/1041804184.db2.gz GARQDXOTPCEJKJ-UHFFFAOYSA-N 1 2 328.460 3.596 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NNc1c(Cl)cc(Cl)cc1Cl ZINC000125243589 1041927117 /nfs/dbraw/zinc/92/71/17/1041927117.db2.gz JQCBZEAYXLCOSU-UHFFFAOYSA-N 1 2 347.633 3.767 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCCCCC2 ZINC000827984349 1041973068 /nfs/dbraw/zinc/97/30/68/1041973068.db2.gz BRYSQSIVLWNJDV-JFIYKMOQSA-N 1 2 329.488 3.731 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC(F)(F)c2ccccc2C)c[nH+]1 ZINC000661290488 1042052795 /nfs/dbraw/zinc/05/27/95/1042052795.db2.gz CNIZUWHEMIFMFA-UHFFFAOYSA-N 1 2 333.382 3.598 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(Cl)c1 ZINC000613781936 1042078220 /nfs/dbraw/zinc/07/82/20/1042078220.db2.gz JVBZDBUFLWRNKN-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cncc(OCc3ccccc3)c2)s1 ZINC000278845746 1042170037 /nfs/dbraw/zinc/17/00/37/1042170037.db2.gz LLYDCJXWLDAFGZ-ZDUSSCGKSA-N 1 2 340.452 3.671 20 0 EHADLO CC[C@H](C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661584094 1042205373 /nfs/dbraw/zinc/20/53/73/1042205373.db2.gz HDJJOCHDSMPWQM-JKSUJKDBSA-N 1 2 332.492 3.545 20 0 EHADLO CC[C@@H](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000661584303 1042205643 /nfs/dbraw/zinc/20/56/43/1042205643.db2.gz QZWWZWRNZIEYLQ-QGZVFWFLSA-N 1 2 346.519 3.766 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890537 1042210378 /nfs/dbraw/zinc/21/03/78/1042210378.db2.gz NEDZLTPMLUSDBU-INIZCTEOSA-N 1 2 334.423 3.775 20 0 EHADLO Cc1ncccc1C[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661637008 1042225919 /nfs/dbraw/zinc/22/59/19/1042225919.db2.gz AVNNPIRKKUMJBG-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ncccc1C[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661637008 1042225922 /nfs/dbraw/zinc/22/59/22/1042225922.db2.gz AVNNPIRKKUMJBG-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Fc1ccccc1C1(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CCC1 ZINC000652220946 1042278485 /nfs/dbraw/zinc/27/84/85/1042278485.db2.gz NDAOPGWBKOUDMP-MRXNPFEDSA-N 1 2 342.443 3.806 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661732281 1042289242 /nfs/dbraw/zinc/28/92/42/1042289242.db2.gz MDCWLWXYZJXDKE-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661732281 1042289245 /nfs/dbraw/zinc/28/92/45/1042289245.db2.gz MDCWLWXYZJXDKE-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661867926 1042376536 /nfs/dbraw/zinc/37/65/36/1042376536.db2.gz OQZMNTXRWCEWAH-CRAIPNDOSA-N 1 2 347.507 3.520 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661952683 1042427725 /nfs/dbraw/zinc/42/77/25/1042427725.db2.gz ZJPRGYNXTGPBBF-UHFFFAOYSA-N 1 2 342.483 3.892 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC4(CCCC4)OC[C@@H]3C)co2)cc1 ZINC000661987096 1042445483 /nfs/dbraw/zinc/44/54/83/1042445483.db2.gz NJPJICPGWHEELI-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC4(CCCC4)OC[C@@H]3C)co2)cc1 ZINC000661987096 1042445485 /nfs/dbraw/zinc/44/54/85/1042445485.db2.gz NJPJICPGWHEELI-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662056428 1042486780 /nfs/dbraw/zinc/48/67/80/1042486780.db2.gz RUYKOKNDEOWGKB-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000184385159 1042496729 /nfs/dbraw/zinc/49/67/29/1042496729.db2.gz IOSJIVQLWTZIEE-GJZGRUSLSA-N 1 2 345.512 3.870 20 0 EHADLO CC(C)CC(CC(C)C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000599882185 1042581796 /nfs/dbraw/zinc/58/17/96/1042581796.db2.gz MKZRVWLHRLDXIF-INIZCTEOSA-N 1 2 334.508 3.558 20 0 EHADLO CC(C)CC(CC(C)C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000599882185 1042581798 /nfs/dbraw/zinc/58/17/98/1042581798.db2.gz MKZRVWLHRLDXIF-INIZCTEOSA-N 1 2 334.508 3.558 20 0 EHADLO OC1(c2ccccc2C(F)(F)F)CC[NH+](Cc2nccs2)CC1 ZINC000278859421 1042599418 /nfs/dbraw/zinc/59/94/18/1042599418.db2.gz RYLWZWZZEJBGNO-UHFFFAOYSA-N 1 2 342.386 3.646 20 0 EHADLO C[C@H](Oc1cccnc1NCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663257538 1042606039 /nfs/dbraw/zinc/60/60/39/1042606039.db2.gz XDTYCQNVPWHHET-HNNXBMFYSA-N 1 2 334.423 3.976 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662216004 1042609655 /nfs/dbraw/zinc/60/96/55/1042609655.db2.gz YZUUCPLPJBPZDT-CQSZACIVSA-N 1 2 325.412 3.633 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(OC)ccc2OC)o1 ZINC000165212059 1042670702 /nfs/dbraw/zinc/67/07/02/1042670702.db2.gz HIJHYQDONWUZCE-SUMWQHHRSA-N 1 2 333.428 3.898 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161843195 1042689762 /nfs/dbraw/zinc/68/97/62/1042689762.db2.gz BOFWLMCOFTXJRW-HNNXBMFYSA-N 1 2 343.496 3.525 20 0 EHADLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000663325854 1042690516 /nfs/dbraw/zinc/69/05/16/1042690516.db2.gz MDPOEMDUPXTJLP-ZDUSSCGKSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000663325854 1042690519 /nfs/dbraw/zinc/69/05/19/1042690519.db2.gz MDPOEMDUPXTJLP-ZDUSSCGKSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CCO1 ZINC000662370661 1042695642 /nfs/dbraw/zinc/69/56/42/1042695642.db2.gz GJNJRTFIISHQMD-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CCO1 ZINC000662370661 1042695643 /nfs/dbraw/zinc/69/56/43/1042695643.db2.gz GJNJRTFIISHQMD-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573157 1042717030 /nfs/dbraw/zinc/71/70/30/1042717030.db2.gz XJYZDPWYFHXHSL-XHDPSFHLSA-N 1 2 348.244 3.528 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573157 1042717036 /nfs/dbraw/zinc/71/70/36/1042717036.db2.gz XJYZDPWYFHXHSL-XHDPSFHLSA-N 1 2 348.244 3.528 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCCc3sccc32)c1C ZINC000162946135 1042842526 /nfs/dbraw/zinc/84/25/26/1042842526.db2.gz NOVLOWJOWOQAQP-CQSZACIVSA-N 1 2 345.468 3.645 20 0 EHADLO O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc2[nH+]ccn2c1 ZINC000603882072 1042851220 /nfs/dbraw/zinc/85/12/20/1042851220.db2.gz NPPHDERVZXJZIN-UHFFFAOYSA-N 1 2 346.390 3.951 20 0 EHADLO CCOc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066962697 1042883514 /nfs/dbraw/zinc/88/35/14/1042883514.db2.gz ZSCVPINLZMDGOM-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000663537424 1042979267 /nfs/dbraw/zinc/97/92/67/1042979267.db2.gz HWPSHCXDXWLTBM-QGZVFWFLSA-N 1 2 333.391 3.887 20 0 EHADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccco1 ZINC000117870927 1043023616 /nfs/dbraw/zinc/02/36/16/1043023616.db2.gz GEGKIPMXINVZJQ-FQEVSTJZSA-N 1 2 332.252 3.826 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccco1 ZINC000117870927 1043023623 /nfs/dbraw/zinc/02/36/23/1043023623.db2.gz GEGKIPMXINVZJQ-FQEVSTJZSA-N 1 2 332.252 3.826 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278941747 1043053033 /nfs/dbraw/zinc/05/30/33/1043053033.db2.gz NPYCIQRKIQXFJK-ZDUSSCGKSA-N 1 2 340.443 3.546 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278941747 1043053039 /nfs/dbraw/zinc/05/30/39/1043053039.db2.gz NPYCIQRKIQXFJK-ZDUSSCGKSA-N 1 2 340.443 3.546 20 0 EHADLO O=C(/C=C/c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278954348 1043080126 /nfs/dbraw/zinc/08/01/26/1043080126.db2.gz MRQRSQRPYSXHKJ-MDZDMXLPSA-N 1 2 335.451 3.639 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC=Cc2ccccc21 ZINC000344055088 1043180376 /nfs/dbraw/zinc/18/03/76/1043180376.db2.gz XNVHJALVHCONRZ-UHFFFAOYSA-N 1 2 329.403 3.995 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000279026325 1043215811 /nfs/dbraw/zinc/21/58/11/1043215811.db2.gz WGGVWWMWKYVTTN-JTQLQIEISA-N 1 2 349.422 3.652 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279026703 1043217917 /nfs/dbraw/zinc/21/79/17/1043217917.db2.gz WIYLCWCGJAGRGZ-LPEHRKFASA-N 1 2 337.411 3.506 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)cc1 ZINC000279096643 1043345271 /nfs/dbraw/zinc/34/52/71/1043345271.db2.gz UXLIAHGRAXYLDH-FUHWJXTLSA-N 1 2 346.434 3.594 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1nccn1C1CC1 ZINC001343058500 1043348314 /nfs/dbraw/zinc/34/83/14/1043348314.db2.gz SRWRLPPXJICNDU-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1nccn1C1CC1 ZINC001343058500 1043348325 /nfs/dbraw/zinc/34/83/25/1043348325.db2.gz SRWRLPPXJICNDU-UHFFFAOYSA-N 1 2 334.261 3.921 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccc(Cl)cc2F)c1Br ZINC000279118040 1043380539 /nfs/dbraw/zinc/38/05/39/1043380539.db2.gz LHHQFGUGNFEQGP-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO Cc1cccn2c(CN3CCO[C@H](c4ccccc4Cl)C3)c[nH+]c12 ZINC000093081060 1043443123 /nfs/dbraw/zinc/44/31/23/1043443123.db2.gz VAMFZPJUVZAAJT-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO CCOc1ccc(CN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000344240856 1043493409 /nfs/dbraw/zinc/49/34/09/1043493409.db2.gz UXYWMHIKKDJDAN-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccccc4Cl)C3)n2c1 ZINC000093081388 1043713898 /nfs/dbraw/zinc/71/38/98/1043713898.db2.gz ZTRQFIJSAAICNN-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279297871 1043738236 /nfs/dbraw/zinc/73/82/36/1043738236.db2.gz ZMKLTXNLUZJQLP-SNVBAGLBSA-N 1 2 326.227 3.869 20 0 EHADLO CC1(O)CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663718398 1043803585 /nfs/dbraw/zinc/80/35/85/1043803585.db2.gz YOKGIQJMXGYCCE-UHFFFAOYSA-N 1 2 348.450 3.593 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001139731935 1043936642 /nfs/dbraw/zinc/93/66/42/1043936642.db2.gz FAGDGTOEBPYOHP-MJGOQNOKSA-N 1 2 326.525 3.552 20 0 EHADLO O=C(CCCc1ccc(O)c(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000344447787 1044023569 /nfs/dbraw/zinc/02/35/69/1044023569.db2.gz LMIWAIGJUXRPSB-UHFFFAOYSA-N 1 2 339.370 3.678 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(Cl)nc3)n2)c1 ZINC000279416919 1044057327 /nfs/dbraw/zinc/05/73/27/1044057327.db2.gz FJRMLTLRALBMHD-NWDGAFQWSA-N 1 2 342.834 3.635 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(Cl)nc3)n2)c1 ZINC000279416928 1044057728 /nfs/dbraw/zinc/05/77/28/1044057728.db2.gz FJRMLTLRALBMHD-VXGBXAGGSA-N 1 2 342.834 3.635 20 0 EHADLO Cc1ncc([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c(C)n1 ZINC000279470032 1044113842 /nfs/dbraw/zinc/11/38/42/1044113842.db2.gz JVZOHLVLICJKMF-IONNQARKSA-N 1 2 330.379 3.981 20 0 EHADLO Cc1cc([C@H]2CN(c3[nH+]ccc4c(N)cccc43)CCO2)ccc1F ZINC000663760282 1044122580 /nfs/dbraw/zinc/12/25/80/1044122580.db2.gz UWPJLSLYFHYBNQ-LJQANCHMSA-N 1 2 337.398 3.842 20 0 EHADLO Cc1cscc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279567797 1044230659 /nfs/dbraw/zinc/23/06/59/1044230659.db2.gz RAPXBYHJUNFFIW-UHFFFAOYSA-N 1 2 329.469 3.609 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)N[C@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000344705726 1044315865 /nfs/dbraw/zinc/31/58/65/1044315865.db2.gz DROQQBCWLPCAOU-QGZVFWFLSA-N 1 2 348.450 3.746 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000279644857 1044346114 /nfs/dbraw/zinc/34/61/14/1044346114.db2.gz DHWZXCDBAARJTP-UHFFFAOYSA-N 1 2 345.397 3.773 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000279677968 1044402327 /nfs/dbraw/zinc/40/23/27/1044402327.db2.gz GIBCIYYBVUJPGK-UHFFFAOYSA-N 1 2 326.893 3.804 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCSC(C)(C)CC1 ZINC000279677968 1044402332 /nfs/dbraw/zinc/40/23/32/1044402332.db2.gz GIBCIYYBVUJPGK-UHFFFAOYSA-N 1 2 326.893 3.804 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)C(C)(C)C ZINC000432597905 1044441001 /nfs/dbraw/zinc/44/10/01/1044441001.db2.gz NZDSDDMPUCJITC-UHFFFAOYSA-N 1 2 336.524 3.939 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCO[C@@H](CCc2ccccc2)C1 ZINC000663796483 1044664094 /nfs/dbraw/zinc/66/40/94/1044664094.db2.gz DITAFJBBXIPCJN-KRWDZBQOSA-N 1 2 333.435 3.655 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279815013 1044697184 /nfs/dbraw/zinc/69/71/84/1044697184.db2.gz QFDABCYQVOGMIC-IHSNIMORSA-N 1 2 342.439 3.671 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279815013 1044697188 /nfs/dbraw/zinc/69/71/88/1044697188.db2.gz QFDABCYQVOGMIC-IHSNIMORSA-N 1 2 342.439 3.671 20 0 EHADLO Cc1csc(N(C(=O)CCCn2cc[nH+]c2)c2ccccc2)n1 ZINC000620409651 1125566838 /nfs/dbraw/zinc/56/68/38/1125566838.db2.gz HETKEZWNCBDVQS-UHFFFAOYSA-N 1 2 326.425 3.793 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000620409926 1125568839 /nfs/dbraw/zinc/56/88/39/1125568839.db2.gz KGFYBZKGARNJHR-LJQANCHMSA-N 1 2 329.419 3.850 20 0 EHADLO Cc1ccccc1-c1csc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000620410069 1125569255 /nfs/dbraw/zinc/56/92/55/1125569255.db2.gz PJNREMOXCMLWFO-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(CCC1CC1)CC1CC1 ZINC000620630968 1125616861 /nfs/dbraw/zinc/61/68/61/1125616861.db2.gz BZLMLNZMKFJACE-LJQANCHMSA-N 1 2 337.467 3.970 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000183618249 1125620854 /nfs/dbraw/zinc/62/08/54/1125620854.db2.gz LLZSBSVOMYVPOG-YJBOKZPZSA-N 1 2 342.464 3.667 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000183618249 1125620857 /nfs/dbraw/zinc/62/08/57/1125620857.db2.gz LLZSBSVOMYVPOG-YJBOKZPZSA-N 1 2 342.464 3.667 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000153964172 1125678778 /nfs/dbraw/zinc/67/87/78/1125678778.db2.gz MUIUKWRJEPDVFB-ZWKOTPCHSA-N 1 2 329.488 3.797 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000155141070 1125788879 /nfs/dbraw/zinc/78/88/79/1125788879.db2.gz CLCUZUTVHCGXIJ-UHFFFAOYSA-N 1 2 347.418 3.669 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988298 1126728569 /nfs/dbraw/zinc/72/85/69/1126728569.db2.gz QLQPHFHZXXEHAW-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988298 1126728573 /nfs/dbraw/zinc/72/85/73/1126728573.db2.gz QLQPHFHZXXEHAW-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2ccccc2Cl)c[nH+]1 ZINC000622667857 1126744268 /nfs/dbraw/zinc/74/42/68/1126744268.db2.gz WAYCJEGJXYLXAF-UHFFFAOYSA-N 1 2 340.814 3.672 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000171152480 1126753517 /nfs/dbraw/zinc/75/35/17/1126753517.db2.gz YBHANZWYGVCWCP-UHFFFAOYSA-N 1 2 346.434 3.666 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000172157730 1126782974 /nfs/dbraw/zinc/78/29/74/1126782974.db2.gz DBSVDKVKCLEKDS-UHFFFAOYSA-N 1 2 348.450 3.837 20 0 EHADLO CCO[C@@H](C)c1noc(COc2cc(C)[nH+]c3ccc(OC)cc32)n1 ZINC000172524108 1126798732 /nfs/dbraw/zinc/79/87/32/1126798732.db2.gz PNFWLEYROZHRFD-LBPRGKRZSA-N 1 2 343.383 3.611 20 0 EHADLO C[C@@H]([NH2+]CC1(O)CCCCC1)c1cc(Br)cc(F)c1O ZINC000185273490 1126847704 /nfs/dbraw/zinc/84/77/04/1126847704.db2.gz JOLNPVGBFMTZJL-SNVBAGLBSA-N 1 2 346.240 3.640 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000174630472 1126857320 /nfs/dbraw/zinc/85/73/20/1126857320.db2.gz PIDAFUJPLCJNOB-IBGZPJMESA-N 1 2 341.432 3.562 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000623042778 1126863922 /nfs/dbraw/zinc/86/39/22/1126863922.db2.gz OPOJLPNORPFBBT-IAGOWNOFSA-N 1 2 345.874 3.862 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)CCCn1cc[nH+]c1 ZINC000623253879 1126902882 /nfs/dbraw/zinc/90/28/82/1126902882.db2.gz IRKSHCQSGGVJKI-UHFFFAOYSA-N 1 2 337.826 3.895 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623253613 1126903131 /nfs/dbraw/zinc/90/31/31/1126903131.db2.gz SETZKBDXQUFSPS-ZDUSSCGKSA-N 1 2 339.361 3.902 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccccc1)c1ccccc1 ZINC000623284776 1126909804 /nfs/dbraw/zinc/90/98/04/1126909804.db2.gz NOCNUZBGKHOMEU-UHFFFAOYSA-N 1 2 333.435 3.939 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000192546411 1126918228 /nfs/dbraw/zinc/91/82/28/1126918228.db2.gz UPSKQTNHXYGATN-INIZCTEOSA-N 1 2 341.455 3.712 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462541 1126961206 /nfs/dbraw/zinc/96/12/06/1126961206.db2.gz NLLSQIPDDFGWGR-KBXCAEBGSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462541 1126961208 /nfs/dbraw/zinc/96/12/08/1126961208.db2.gz NLLSQIPDDFGWGR-KBXCAEBGSA-N 1 2 343.858 3.577 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@H]2CCN(C)C2=O)c2ccccc2Cl)ccc1F ZINC000177213615 1126978773 /nfs/dbraw/zinc/97/87/73/1126978773.db2.gz GQIOSMLYLDYTHL-ZWKOTPCHSA-N 1 2 346.833 3.697 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC2(CCCC2)c2c1cccc2F ZINC000623618551 1126996871 /nfs/dbraw/zinc/99/68/71/1126996871.db2.gz WFGHYVVWQCFVDU-UHFFFAOYSA-N 1 2 327.403 3.661 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000178903703 1127036928 /nfs/dbraw/zinc/03/69/28/1127036928.db2.gz YCVFHLDFVKPEPR-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO FC(c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)=C1CCCC1 ZINC000349659405 1127046517 /nfs/dbraw/zinc/04/65/17/1127046517.db2.gz PONFZCARGQLYDH-UHFFFAOYSA-N 1 2 343.402 3.823 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000179355815 1127059053 /nfs/dbraw/zinc/05/90/53/1127059053.db2.gz LUISOPDKIZNRIL-KRWDZBQOSA-N 1 2 347.484 3.514 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000179355815 1127059056 /nfs/dbraw/zinc/05/90/56/1127059056.db2.gz LUISOPDKIZNRIL-KRWDZBQOSA-N 1 2 347.484 3.514 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)[C@@H](c2ccccc2)C1 ZINC000179417211 1127062640 /nfs/dbraw/zinc/06/26/40/1127062640.db2.gz QOHSSGWIWOYRJO-HXUWFJFHSA-N 1 2 349.409 3.503 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)[C@@H](c2ccccc2)C1 ZINC000179417211 1127062643 /nfs/dbraw/zinc/06/26/43/1127062643.db2.gz QOHSSGWIWOYRJO-HXUWFJFHSA-N 1 2 349.409 3.503 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(SC)c1 ZINC000179888452 1127097921 /nfs/dbraw/zinc/09/79/21/1127097921.db2.gz IYRACJMKQMQJIL-GFCCVEGCSA-N 1 2 348.443 3.846 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000179916011 1127100164 /nfs/dbraw/zinc/10/01/64/1127100164.db2.gz MHNNZZXSKPMJRV-CYBMUJFWSA-N 1 2 325.387 3.937 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1 ZINC000180031988 1127111385 /nfs/dbraw/zinc/11/13/85/1127111385.db2.gz WGMOCNCNYZRGHD-KYXHQGGESA-N 1 2 335.835 3.917 20 0 EHADLO Clc1ccc(CSCc2noc(CCn3cc[nH+]c3)n2)cc1 ZINC000351148414 1127146380 /nfs/dbraw/zinc/14/63/80/1127146380.db2.gz QCGHAFSWRMUTEK-UHFFFAOYSA-N 1 2 334.832 3.596 20 0 EHADLO COc1ccc([C@H](CN[C@@H](C)c2nc(C)cs2)[NH+]2CCCC2)cc1 ZINC000623852002 1127202744 /nfs/dbraw/zinc/20/27/44/1127202744.db2.gz NFPAFDRWNMHMNQ-YJBOKZPZSA-N 1 2 345.512 3.948 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(c3ccncc3)CC1)nc1ccccc12 ZINC000624158108 1127259957 /nfs/dbraw/zinc/25/99/57/1127259957.db2.gz OTWSIPJMCBCHMB-UHFFFAOYSA-N 1 2 329.407 3.662 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(Cl)c1F ZINC000181173579 1127268421 /nfs/dbraw/zinc/26/84/21/1127268421.db2.gz LJMLMXBYCBMLEU-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1nccn1C ZINC000182412300 1127328853 /nfs/dbraw/zinc/32/88/53/1127328853.db2.gz LBJLAMVCPGMPLG-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000183462478 1127377230 /nfs/dbraw/zinc/37/72/30/1127377230.db2.gz BRAUYAWXVQLQSG-HXUWFJFHSA-N 1 2 334.419 3.909 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184144018 1127395813 /nfs/dbraw/zinc/39/58/13/1127395813.db2.gz CKWRRQOHMHMHBI-SFHVURJKSA-N 1 2 344.455 3.784 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184484404 1127405818 /nfs/dbraw/zinc/40/58/18/1127405818.db2.gz SLAMPLNFJKZWGW-UKRRQHHQSA-N 1 2 343.496 3.897 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)N(CC)c2ccccc2)o1 ZINC000184857265 1127414990 /nfs/dbraw/zinc/41/49/90/1127414990.db2.gz MGDXEPPJDZINJL-MAUKXSAKSA-N 1 2 344.455 3.561 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000184982081 1127417467 /nfs/dbraw/zinc/41/74/67/1127417467.db2.gz BWORFBVABFPQBK-MRXNPFEDSA-N 1 2 345.512 3.849 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1nccs1 ZINC000185100409 1127420821 /nfs/dbraw/zinc/42/08/21/1127420821.db2.gz DKFOJEKKKDLTDS-NSHDSACASA-N 1 2 327.812 3.615 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000193287301 1127435037 /nfs/dbraw/zinc/43/50/37/1127435037.db2.gz FZZGFLNPUPDRKB-KRWDZBQOSA-N 1 2 339.464 3.514 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)c(C)c[nH+]1 ZINC001127732875 1127451403 /nfs/dbraw/zinc/45/14/03/1127451403.db2.gz AWKGVMXLRBKTSV-UHFFFAOYSA-N 1 2 337.354 3.699 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3nc4ccccc4s3)cc12 ZINC000193859841 1127446873 /nfs/dbraw/zinc/44/68/73/1127446873.db2.gz KOPGCLVJIMOWJO-UHFFFAOYSA-N 1 2 337.452 3.518 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3nc4ccccc4s3)cc12 ZINC000193859841 1127446875 /nfs/dbraw/zinc/44/68/75/1127446875.db2.gz KOPGCLVJIMOWJO-UHFFFAOYSA-N 1 2 337.452 3.518 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000194341700 1127457339 /nfs/dbraw/zinc/45/73/39/1127457339.db2.gz WBXBIKIEAMCLFC-UHFFFAOYSA-N 1 2 341.293 3.871 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000194797535 1127467661 /nfs/dbraw/zinc/46/76/61/1127467661.db2.gz WUQSGPJPUCNLSF-UHFFFAOYSA-N 1 2 335.451 3.689 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000194797535 1127467664 /nfs/dbraw/zinc/46/76/64/1127467664.db2.gz WUQSGPJPUCNLSF-UHFFFAOYSA-N 1 2 335.451 3.689 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764284807 1127473712 /nfs/dbraw/zinc/47/37/12/1127473712.db2.gz ORCTXZBOJPWKPD-UXHICEINSA-N 1 2 341.451 3.655 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764284807 1127473714 /nfs/dbraw/zinc/47/37/14/1127473714.db2.gz ORCTXZBOJPWKPD-UXHICEINSA-N 1 2 341.451 3.655 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)Cc2cccs2)c1C ZINC000195139997 1127474365 /nfs/dbraw/zinc/47/43/65/1127474365.db2.gz NLSKLPXGAZRCEN-CYBMUJFWSA-N 1 2 347.484 3.541 20 0 EHADLO Cc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(N(C)C)[nH+]1 ZINC000749987713 1127565086 /nfs/dbraw/zinc/56/50/86/1127565086.db2.gz VKHNNTNZSOTENU-UHFFFAOYSA-N 1 2 339.439 3.674 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000765032625 1127565477 /nfs/dbraw/zinc/56/54/77/1127565477.db2.gz FGIWOFMKCIPAMC-LSDHHAIUSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000765032625 1127565480 /nfs/dbraw/zinc/56/54/80/1127565480.db2.gz FGIWOFMKCIPAMC-LSDHHAIUSA-N 1 2 345.516 3.964 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c(C)n1C ZINC000384310870 1127575165 /nfs/dbraw/zinc/57/51/65/1127575165.db2.gz MHGBLYOZGYRTHJ-UHFFFAOYSA-N 1 2 340.467 3.506 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765310767 1127595443 /nfs/dbraw/zinc/59/54/43/1127595443.db2.gz MRKKKRAYQLMMJU-WBVHZDCISA-N 1 2 338.373 3.624 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765310767 1127595445 /nfs/dbraw/zinc/59/54/45/1127595445.db2.gz MRKKKRAYQLMMJU-WBVHZDCISA-N 1 2 338.373 3.624 20 0 EHADLO COc1c(Br)ccc(F)c1C[N@@H+]1CCCOC(C)(C)C1 ZINC001142892762 1127612193 /nfs/dbraw/zinc/61/21/93/1127612193.db2.gz HSXCDWUJVUEMQQ-UHFFFAOYSA-N 1 2 346.240 3.598 20 0 EHADLO COc1c(Br)ccc(F)c1C[N@H+]1CCCOC(C)(C)C1 ZINC001142892762 1127612197 /nfs/dbraw/zinc/61/21/97/1127612197.db2.gz HSXCDWUJVUEMQQ-UHFFFAOYSA-N 1 2 346.240 3.598 20 0 EHADLO C/C=C(/C=C\C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)CC ZINC000765441116 1127612706 /nfs/dbraw/zinc/61/27/06/1127612706.db2.gz IXNCPSANPLIKAJ-PLCJWPGKSA-N 1 2 327.472 3.991 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+]Cc2cccnc2OCC(F)(F)F)c1 ZINC000921521341 1127622300 /nfs/dbraw/zinc/62/23/00/1127622300.db2.gz LOUKNOBUMVDLKF-UHFFFAOYSA-N 1 2 345.752 3.669 20 0 EHADLO C/C(=C\C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000842892071 1127629493 /nfs/dbraw/zinc/62/94/93/1127629493.db2.gz YDKWTQOGEANYTR-GXDHUFHOSA-N 1 2 342.826 3.818 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccco1)C(c1ccccc1)c1ccccc1 ZINC000015306587 1127652673 /nfs/dbraw/zinc/65/26/73/1127652673.db2.gz ZEYXOQDBGMZMRA-UHFFFAOYSA-N 1 2 348.446 3.959 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccco1)C(c1ccccc1)c1ccccc1 ZINC000015306587 1127652675 /nfs/dbraw/zinc/65/26/75/1127652675.db2.gz ZEYXOQDBGMZMRA-UHFFFAOYSA-N 1 2 348.446 3.959 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3cccs3)nc(=O)c2c1C ZINC000016586811 1127664058 /nfs/dbraw/zinc/66/40/58/1127664058.db2.gz XNINBHZFUFRLRI-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3cccs3)nc(=O)c2c1C ZINC000016586811 1127664061 /nfs/dbraw/zinc/66/40/61/1127664061.db2.gz XNINBHZFUFRLRI-SNVBAGLBSA-N 1 2 333.482 3.856 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)n1 ZINC000921546130 1127695208 /nfs/dbraw/zinc/69/52/08/1127695208.db2.gz IVRFSQQWFGLQLS-UHFFFAOYSA-N 1 2 328.460 3.647 20 0 EHADLO O=C(OC[C@@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765712294 1127732950 /nfs/dbraw/zinc/73/29/50/1127732950.db2.gz QVVJCWXZCDLKOO-INIZCTEOSA-N 1 2 334.375 3.595 20 0 EHADLO c1ccc(-n2nc(C[NH2+]Cc3cccc4c3OCC4)c3c2CCC3)cc1 ZINC000921556917 1127738699 /nfs/dbraw/zinc/73/86/99/1127738699.db2.gz KKYZCHZNCZOPQN-UHFFFAOYSA-N 1 2 345.446 3.586 20 0 EHADLO C[C@@H]1Cc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)ccc2O1 ZINC000921569165 1127753694 /nfs/dbraw/zinc/75/36/94/1127753694.db2.gz ZGPGIQKLTUBLNR-OAHLLOKOSA-N 1 2 338.451 3.583 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)NCCC1=CCCCC1 ZINC000026877840 1127774948 /nfs/dbraw/zinc/77/49/48/1127774948.db2.gz XUMNTZJDMKGLMB-QFIPXVFZSA-N 1 2 349.478 3.767 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)Sc3nc(N)cc(C)[nH+]3)o2)c1 ZINC000029914573 1127810881 /nfs/dbraw/zinc/81/08/81/1127810881.db2.gz RDRZPASBWUACOB-NSHDSACASA-N 1 2 327.413 3.579 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(F)(F)F)s3)n2)C1 ZINC000671670108 1127814851 /nfs/dbraw/zinc/81/48/51/1127814851.db2.gz SJYWYGDPKQZVOA-VIFPVBQESA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(F)(F)F)s3)n2)C1 ZINC000671670108 1127814854 /nfs/dbraw/zinc/81/48/54/1127814854.db2.gz SJYWYGDPKQZVOA-VIFPVBQESA-N 1 2 347.362 3.599 20 0 EHADLO CCOC(=O)CC[N@H+](Cc1sccc1Cl)Cc1cccnc1 ZINC000338573139 1127840219 /nfs/dbraw/zinc/84/02/19/1127840219.db2.gz RWSPXUCBZCYDJG-UHFFFAOYSA-N 1 2 338.860 3.752 20 0 EHADLO CCOC(=O)CC[N@@H+](Cc1sccc1Cl)Cc1cccnc1 ZINC000338573139 1127840224 /nfs/dbraw/zinc/84/02/24/1127840224.db2.gz RWSPXUCBZCYDJG-UHFFFAOYSA-N 1 2 338.860 3.752 20 0 EHADLO CC[C@@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399557 1127875387 /nfs/dbraw/zinc/87/53/87/1127875387.db2.gz MORTVVUVYUOMNW-DOMZBBRYSA-N 1 2 326.843 3.778 20 0 EHADLO Cc1nc2cccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)c2[nH]1 ZINC000338620693 1127916916 /nfs/dbraw/zinc/91/69/16/1127916916.db2.gz AKQBUDYKGLRPJG-UHFFFAOYSA-N 1 2 342.830 3.839 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000043783701 1127926762 /nfs/dbraw/zinc/92/67/62/1127926762.db2.gz ZTCKIFVCCWQYIO-QGZVFWFLSA-N 1 2 326.444 3.580 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(-c3ccco3)no2)C2CC2)cc1 ZINC000044072702 1127931677 /nfs/dbraw/zinc/93/16/77/1127931677.db2.gz OCHOTKVGJNWNTN-UHFFFAOYSA-N 1 2 325.368 3.503 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(-c3ccco3)no2)C2CC2)cc1 ZINC000044072702 1127931678 /nfs/dbraw/zinc/93/16/78/1127931678.db2.gz OCHOTKVGJNWNTN-UHFFFAOYSA-N 1 2 325.368 3.503 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438659 1127937058 /nfs/dbraw/zinc/93/70/58/1127937058.db2.gz JJFOMAVGCRKGHZ-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438659 1127937061 /nfs/dbraw/zinc/93/70/61/1127937061.db2.gz JJFOMAVGCRKGHZ-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cscn3)CC2)c1 ZINC000338632974 1127938881 /nfs/dbraw/zinc/93/88/81/1127938881.db2.gz NJVNMRIXEMVDIC-UHFFFAOYSA-N 1 2 336.432 3.621 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000045143475 1127946872 /nfs/dbraw/zinc/94/68/72/1127946872.db2.gz CCYORTWWBSMCFN-LJQANCHMSA-N 1 2 335.382 3.989 20 0 EHADLO Clc1ccc2c(cncc2Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212356417 1127949984 /nfs/dbraw/zinc/94/99/84/1127949984.db2.gz WMPFAAGZCFGEAJ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860165 1127962405 /nfs/dbraw/zinc/96/24/05/1127962405.db2.gz YTXCBYZQOVNQTJ-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000046118825 1127969371 /nfs/dbraw/zinc/96/93/71/1127969371.db2.gz PTZIUBIPQOOHHA-UHFFFAOYSA-N 1 2 326.425 3.842 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000186182055 1127970178 /nfs/dbraw/zinc/97/01/78/1127970178.db2.gz WXCBVXAHZOJUAJ-HERUPUMHSA-N 1 2 346.240 3.902 20 0 EHADLO Cc1ccccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046342052 1127976207 /nfs/dbraw/zinc/97/62/07/1127976207.db2.gz SHJJQTNOORTGAJ-IAGOWNOFSA-N 1 2 338.451 3.857 20 0 EHADLO O=C(/C=C/c1cccc(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617022 1127983640 /nfs/dbraw/zinc/98/36/40/1127983640.db2.gz PGOZKGZWXBHIOR-BQYQJAHWSA-N 1 2 341.842 3.533 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000056601534 1128024104 /nfs/dbraw/zinc/02/41/04/1128024104.db2.gz AKEGRRGGPVZIFW-UHFFFAOYSA-N 1 2 339.399 3.504 20 0 EHADLO C[N@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168581126 1128036227 /nfs/dbraw/zinc/03/62/27/1128036227.db2.gz ZSCOOIAHGBDMCD-ZJUUUORDSA-N 1 2 346.340 3.514 20 0 EHADLO C[N@@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168581126 1128036228 /nfs/dbraw/zinc/03/62/28/1128036228.db2.gz ZSCOOIAHGBDMCD-ZJUUUORDSA-N 1 2 346.340 3.514 20 0 EHADLO Clc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc2cccnc12 ZINC001212366712 1128045972 /nfs/dbraw/zinc/04/59/72/1128045972.db2.gz WMPMZUFBTNOCJU-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO C[C@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000057380310 1128046213 /nfs/dbraw/zinc/04/62/13/1128046213.db2.gz ULCMBOJHKIXDDC-CYBMUJFWSA-N 1 2 339.361 3.602 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCc2cc(F)ccc21 ZINC000058457547 1128068967 /nfs/dbraw/zinc/06/89/67/1128068967.db2.gz VLNLVOLZRHEQAP-UHFFFAOYSA-N 1 2 335.382 3.664 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000058482770 1128069810 /nfs/dbraw/zinc/06/98/10/1128069810.db2.gz UMDNEVYADIIMBS-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO COc1ccccc1C(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058686703 1128076473 /nfs/dbraw/zinc/07/64/73/1128076473.db2.gz DXIPEJQXSBJZHW-UHFFFAOYSA-N 1 2 335.407 3.797 20 0 EHADLO C=CCCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186186120 1128072344 /nfs/dbraw/zinc/07/23/44/1128072344.db2.gz PQBYSGIRRASJTD-SNVBAGLBSA-N 1 2 332.213 3.537 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)cc2C)c1C ZINC000058607312 1128073822 /nfs/dbraw/zinc/07/38/22/1128073822.db2.gz VTDQOTLLJQYUPH-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO CCCc1occc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218023 1128094147 /nfs/dbraw/zinc/09/41/47/1128094147.db2.gz HBHJPEWITHQWEH-HNNXBMFYSA-N 1 2 341.455 3.785 20 0 EHADLO CCc1ccc(CCC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000060216090 1128095388 /nfs/dbraw/zinc/09/53/88/1128095388.db2.gz JXXJITSBALAPDZ-UHFFFAOYSA-N 1 2 340.467 3.861 20 0 EHADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccc(F)cc1Cl ZINC000060356771 1128098260 /nfs/dbraw/zinc/09/82/60/1128098260.db2.gz JKIJHPZMRLBRFW-UHFFFAOYSA-N 1 2 326.843 3.737 20 0 EHADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccc(F)cc1Cl ZINC000060356771 1128098263 /nfs/dbraw/zinc/09/82/63/1128098263.db2.gz JKIJHPZMRLBRFW-UHFFFAOYSA-N 1 2 326.843 3.737 20 0 EHADLO Cc1cc(C)cc(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000060868425 1128115803 /nfs/dbraw/zinc/11/58/03/1128115803.db2.gz DFJHLJQZCVUNNA-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO COc1ccc([C@H](CNCc2ccc(Cl)o2)[NH+]2CCCC2)cc1 ZINC000061014058 1128117807 /nfs/dbraw/zinc/11/78/07/1128117807.db2.gz WKGQCYXNEHRXRM-KRWDZBQOSA-N 1 2 334.847 3.868 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254501 1128132154 /nfs/dbraw/zinc/13/21/54/1128132154.db2.gz JELURJWLQMNSAG-DLBZAZTESA-N 1 2 327.472 3.672 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1C ZINC000352097263 1128145563 /nfs/dbraw/zinc/14/55/63/1128145563.db2.gz QDTDJXGHLKONIE-STQMWFEESA-N 1 2 344.377 3.644 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000063492124 1128146173 /nfs/dbraw/zinc/14/61/73/1128146173.db2.gz YQZCOLNZZGVJKM-FQEVSTJZSA-N 1 2 343.471 3.604 20 0 EHADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000155446998 1128142848 /nfs/dbraw/zinc/14/28/48/1128142848.db2.gz OBWLHDJCUSUQFK-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000155446998 1128142849 /nfs/dbraw/zinc/14/28/49/1128142849.db2.gz OBWLHDJCUSUQFK-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO CCN(CC)c1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000347619786 1128146532 /nfs/dbraw/zinc/14/65/32/1128146532.db2.gz QWNZUIJENKSLPR-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO CCCC[N@H+](CC(=O)Nc1nc(C)cs1)Cc1ccccc1F ZINC000063755089 1128154728 /nfs/dbraw/zinc/15/47/28/1128154728.db2.gz GNNDINGIDJPJTR-UHFFFAOYSA-N 1 2 335.448 3.831 20 0 EHADLO CCCC[N@@H+](CC(=O)Nc1nc(C)cs1)Cc1ccccc1F ZINC000063755089 1128154731 /nfs/dbraw/zinc/15/47/31/1128154731.db2.gz GNNDINGIDJPJTR-UHFFFAOYSA-N 1 2 335.448 3.831 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+](C)[C@@H](C)c2ccccc2)cs1 ZINC000063741134 1128154753 /nfs/dbraw/zinc/15/47/53/1128154753.db2.gz WLQDRJDUTCLPPJ-AWEZNQCLSA-N 1 2 332.469 3.830 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccc2)cs1 ZINC000063741134 1128154754 /nfs/dbraw/zinc/15/47/54/1128154754.db2.gz WLQDRJDUTCLPPJ-AWEZNQCLSA-N 1 2 332.469 3.830 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)[nH]1 ZINC000671762241 1128252595 /nfs/dbraw/zinc/25/25/95/1128252595.db2.gz MHIUBWOWUWMNDH-DCAQKATOSA-N 1 2 329.404 3.577 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000068420291 1128266008 /nfs/dbraw/zinc/26/60/08/1128266008.db2.gz LOSWFOJJESMKIL-INIZCTEOSA-N 1 2 341.455 3.592 20 0 EHADLO CC(C)[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1nc(C2CC2)no1 ZINC000671752052 1128212921 /nfs/dbraw/zinc/21/29/21/1128212921.db2.gz CFGZYCYFVMFWBT-BMIGLBTASA-N 1 2 342.399 3.842 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncccc1Br ZINC000306783163 1128217216 /nfs/dbraw/zinc/21/72/16/1128217216.db2.gz LBDFQAZXYPWBJG-CQSZACIVSA-N 1 2 346.272 3.555 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncccc1Br ZINC000306783163 1128217218 /nfs/dbraw/zinc/21/72/18/1128217218.db2.gz LBDFQAZXYPWBJG-CQSZACIVSA-N 1 2 346.272 3.555 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C(C3CCC3)C3CCC3)[nH+]c12 ZINC000671757627 1128235075 /nfs/dbraw/zinc/23/50/75/1128235075.db2.gz NVGKMUMQGIGZID-UHFFFAOYSA-N 1 2 325.456 3.518 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)on1 ZINC000071121789 1128298820 /nfs/dbraw/zinc/29/88/20/1128298820.db2.gz ZGYGCUZVOGWCCD-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)on1 ZINC000071121789 1128298822 /nfs/dbraw/zinc/29/88/22/1128298822.db2.gz ZGYGCUZVOGWCCD-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715356 1128327342 /nfs/dbraw/zinc/32/73/42/1128327342.db2.gz UPVNPUFCOTZUGF-SJLPKXTDSA-N 1 2 344.503 3.661 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(-c2ccccc2Cl)o1 ZINC000073832223 1128328968 /nfs/dbraw/zinc/32/89/68/1128328968.db2.gz LLJMCNQFKXZRGW-UHFFFAOYSA-N 1 2 341.798 3.837 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000074417732 1128340938 /nfs/dbraw/zinc/34/09/38/1128340938.db2.gz PNCZKUOTIDXQHK-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000084753419 1128362623 /nfs/dbraw/zinc/36/26/23/1128362623.db2.gz XNCAMNZGPJGUCF-DUMMIQTOSA-N 1 2 325.456 3.826 20 0 EHADLO CCOc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000048144650 1128418389 /nfs/dbraw/zinc/41/83/89/1128418389.db2.gz MADYSPZDQQQXHL-QGZVFWFLSA-N 1 2 344.459 3.827 20 0 EHADLO Cc1nc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000624537307 1128389123 /nfs/dbraw/zinc/38/91/23/1128389123.db2.gz AVGDNLMZJPIHRT-KRWDZBQOSA-N 1 2 337.402 3.728 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282275926 1128453204 /nfs/dbraw/zinc/45/32/04/1128453204.db2.gz KNICAFMDMIGGAK-TZZQJPOUSA-N 1 2 349.478 3.947 20 0 EHADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000085334754 1128450217 /nfs/dbraw/zinc/45/02/17/1128450217.db2.gz AUOBMVKHGMTHIX-GOEBONIOSA-N 1 2 328.462 3.620 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(O)c2ccccc2c1 ZINC000352923961 1128463421 /nfs/dbraw/zinc/46/34/21/1128463421.db2.gz UQRMMECOCZTLGL-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1OC(F)F ZINC000054224834 1128470651 /nfs/dbraw/zinc/47/06/51/1128470651.db2.gz REPWOPDCIUSOPF-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC=C(c3ccccc3)C1)C2 ZINC000671915404 1128488391 /nfs/dbraw/zinc/48/83/91/1128488391.db2.gz BLFZVVNLRMETKK-QGZVFWFLSA-N 1 2 349.478 3.954 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC=C(c3ccccc3)C1)CC2 ZINC000671915404 1128488393 /nfs/dbraw/zinc/48/83/93/1128488393.db2.gz BLFZVVNLRMETKK-QGZVFWFLSA-N 1 2 349.478 3.954 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccnc(OC)c3)co2)cc1 ZINC000347645546 1128510075 /nfs/dbraw/zinc/51/00/75/1128510075.db2.gz FMMFIGMSDRDTJW-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(Cl)c2Cl)cn1C ZINC000347646253 1128511310 /nfs/dbraw/zinc/51/13/10/1128511310.db2.gz DONNKYQRVPFEAG-UHFFFAOYSA-N 1 2 341.238 3.751 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)cn1C ZINC000347646253 1128511311 /nfs/dbraw/zinc/51/13/11/1128511311.db2.gz DONNKYQRVPFEAG-UHFFFAOYSA-N 1 2 341.238 3.751 20 0 EHADLO c1ccc(OC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)cc1 ZINC000347649257 1128512422 /nfs/dbraw/zinc/51/24/22/1128512422.db2.gz IGQANZQSVHUORW-GOSISDBHSA-N 1 2 334.423 3.592 20 0 EHADLO C[N@H+](C/C=C\c1ccc(F)cc1F)CC(=O)Nc1cccc(F)c1 ZINC000542703635 1128549179 /nfs/dbraw/zinc/54/91/79/1128549179.db2.gz WPJOTRHXSWVENP-ARJAWSKDSA-N 1 2 334.341 3.688 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(F)cc1F)CC(=O)Nc1cccc(F)c1 ZINC000542703635 1128549180 /nfs/dbraw/zinc/54/91/80/1128549180.db2.gz WPJOTRHXSWVENP-ARJAWSKDSA-N 1 2 334.341 3.688 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057373189 1128633235 /nfs/dbraw/zinc/63/32/35/1128633235.db2.gz ZYESJAJQCUGJEN-AWEZNQCLSA-N 1 2 334.851 3.719 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000465757416 1128633245 /nfs/dbraw/zinc/63/32/45/1128633245.db2.gz RAOFKNFXYFJJIZ-QZTJIDSGSA-N 1 2 338.455 3.640 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586380 1128665778 /nfs/dbraw/zinc/66/57/78/1128665778.db2.gz CRQZRFUQSJYSEE-STQMWFEESA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586380 1128665779 /nfs/dbraw/zinc/66/57/79/1128665779.db2.gz CRQZRFUQSJYSEE-STQMWFEESA-N 1 2 344.377 3.687 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000475116094 1128679806 /nfs/dbraw/zinc/67/98/06/1128679806.db2.gz IRLGLNSBBBSCFY-MJGOQNOKSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@@H]1CCCc2cccnc21 ZINC001168655494 1128679879 /nfs/dbraw/zinc/67/98/79/1128679879.db2.gz GNDPSUDBTFYAAM-MRXNPFEDSA-N 1 2 339.439 3.850 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000354053110 1128682792 /nfs/dbraw/zinc/68/27/92/1128682792.db2.gz OCZJSYRNKHNDCA-OAHLLOKOSA-N 1 2 349.434 3.895 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000354053110 1128682795 /nfs/dbraw/zinc/68/27/95/1128682795.db2.gz OCZJSYRNKHNDCA-OAHLLOKOSA-N 1 2 349.434 3.895 20 0 EHADLO CCCCSCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000303744469 1128692474 /nfs/dbraw/zinc/69/24/74/1128692474.db2.gz AAOKEGMOQWDDQJ-JXMROGBWSA-N 1 2 346.540 3.767 20 0 EHADLO c1ccc(COc2cc(N[C@@H]3CCCc4cccnc43)cc[nH+]2)nc1 ZINC001168659772 1128718651 /nfs/dbraw/zinc/71/86/51/1128718651.db2.gz QKPKAZODHPBFMM-GOSISDBHSA-N 1 2 332.407 3.940 20 0 EHADLO Cc1ccc(C)c(OCCCCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000265747696 1128756041 /nfs/dbraw/zinc/75/60/41/1128756041.db2.gz IDCJWUBLLWMXCD-QGZVFWFLSA-N 1 2 343.471 3.502 20 0 EHADLO COCc1nc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cs1 ZINC000075716827 1128876880 /nfs/dbraw/zinc/87/68/80/1128876880.db2.gz YJGMDFKCBIYXTO-UHFFFAOYSA-N 1 2 338.423 3.947 20 0 EHADLO CC(=O)c1c(F)cccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000253381591 1128879526 /nfs/dbraw/zinc/87/95/26/1128879526.db2.gz FHEVYLFMWIWQRQ-TWGQIWQCSA-N 1 2 338.426 3.864 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2occc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648844548 1120052590 /nfs/dbraw/zinc/05/25/90/1120052590.db2.gz VFOZXGPEJIYERQ-IYOUNJFTSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2occc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648844548 1120052594 /nfs/dbraw/zinc/05/25/94/1120052594.db2.gz VFOZXGPEJIYERQ-IYOUNJFTSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000200377369 1120085228 /nfs/dbraw/zinc/08/52/28/1120085228.db2.gz SYLICOVENDROHO-INIZCTEOSA-N 1 2 336.863 3.880 20 0 EHADLO C[C@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c2ccsc2S1 ZINC000134882070 1120155038 /nfs/dbraw/zinc/15/50/38/1120155038.db2.gz QDZPNNAURPKRGI-QCZZGDTMSA-N 1 2 336.457 3.629 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376131407 1120205274 /nfs/dbraw/zinc/20/52/74/1120205274.db2.gz OYLSSDOYJNVFDZ-IAGOWNOFSA-N 1 2 349.837 3.545 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376131407 1120205278 /nfs/dbraw/zinc/20/52/78/1120205278.db2.gz OYLSSDOYJNVFDZ-IAGOWNOFSA-N 1 2 349.837 3.545 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338761391 1128898918 /nfs/dbraw/zinc/89/89/18/1128898918.db2.gz ZGCCNTFFOSJLJI-UHFFFAOYSA-N 1 2 348.450 3.688 20 0 EHADLO Cc1cc(C)nc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000652065478 1120224370 /nfs/dbraw/zinc/22/43/70/1120224370.db2.gz JMBACXNWYZTPGI-WKILWMFISA-N 1 2 339.443 3.638 20 0 EHADLO CC[C@H](C)c1nnc(N(C)CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001708403586 1120264826 /nfs/dbraw/zinc/26/48/26/1120264826.db2.gz HAOFNCCHRAWAAE-HNNXBMFYSA-N 1 2 342.491 3.535 20 0 EHADLO COCCOc1ccc(SCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000185048239 1120397734 /nfs/dbraw/zinc/39/77/34/1120397734.db2.gz VYFWYQALSOGPBE-UHFFFAOYSA-N 1 2 328.437 3.960 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000185073102 1120399274 /nfs/dbraw/zinc/39/92/74/1120399274.db2.gz FOIJMCTWFZVAJO-OAHLLOKOSA-N 1 2 332.787 3.801 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC(F)F)cc1 ZINC000185849023 1120432022 /nfs/dbraw/zinc/43/20/22/1120432022.db2.gz MDTVQGXJVFRDNG-UHFFFAOYSA-N 1 2 347.365 3.896 20 0 EHADLO CCCc1nc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000076342942 1128916127 /nfs/dbraw/zinc/91/61/27/1128916127.db2.gz NFFUOJYIORQSJW-UHFFFAOYSA-N 1 2 341.455 3.902 20 0 EHADLO CCCc1nc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000076342942 1128916129 /nfs/dbraw/zinc/91/61/29/1128916129.db2.gz NFFUOJYIORQSJW-UHFFFAOYSA-N 1 2 341.455 3.902 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccs1 ZINC000186422528 1120460245 /nfs/dbraw/zinc/46/02/45/1120460245.db2.gz WEDIKMLXUDYMDK-AWEZNQCLSA-N 1 2 328.441 3.686 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(Cl)c1 ZINC000189182896 1120549792 /nfs/dbraw/zinc/54/97/92/1120549792.db2.gz OEZNKKIHNYTNIJ-UHFFFAOYSA-N 1 2 335.791 3.656 20 0 EHADLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000494439076 1120566820 /nfs/dbraw/zinc/56/68/20/1120566820.db2.gz YXBVKVYFQYBMEO-UHFFFAOYSA-N 1 2 346.858 3.767 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000494498315 1120573390 /nfs/dbraw/zinc/57/33/90/1120573390.db2.gz VCIDLZAFMTVDNA-MRXNPFEDSA-N 1 2 329.444 3.582 20 0 EHADLO Cc1cccn2c(CNc3ncc(Br)cc3C)c[nH+]c12 ZINC000189338972 1120579172 /nfs/dbraw/zinc/57/91/72/1120579172.db2.gz JACAOGDCUFTMPR-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO COc1ccc2[nH]c(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2c1 ZINC000189810520 1120613042 /nfs/dbraw/zinc/61/30/42/1120613042.db2.gz CATUHVNOQVJCAM-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000190195890 1120629361 /nfs/dbraw/zinc/62/93/61/1120629361.db2.gz VMHLMGLWEPSNOF-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000190195890 1120629366 /nfs/dbraw/zinc/62/93/66/1120629366.db2.gz VMHLMGLWEPSNOF-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO Cc1cnc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000190375909 1120635435 /nfs/dbraw/zinc/63/54/35/1120635435.db2.gz JIENHGATAUNKCU-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO Cc1cnc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000190375909 1120635438 /nfs/dbraw/zinc/63/54/38/1120635438.db2.gz JIENHGATAUNKCU-UHFFFAOYSA-N 1 2 330.375 3.981 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2nc3n(c2=S)CCCCC3)C1 ZINC000153108459 1120688519 /nfs/dbraw/zinc/68/85/19/1120688519.db2.gz XHBVEUBCVKTMBT-CQSZACIVSA-N 1 2 340.562 3.706 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2nc3n(c2=S)CCCCC3)C1 ZINC000153108459 1120688521 /nfs/dbraw/zinc/68/85/21/1120688521.db2.gz XHBVEUBCVKTMBT-CQSZACIVSA-N 1 2 340.562 3.706 20 0 EHADLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)n1 ZINC000191900646 1120701692 /nfs/dbraw/zinc/70/16/92/1120701692.db2.gz DAJDHUOAFQARSK-UHFFFAOYSA-N 1 2 348.859 3.807 20 0 EHADLO Cc1cc(OCC(=O)N(C)Cc2ccc(F)cc2)c2ccccc2[nH+]1 ZINC000192192328 1120723913 /nfs/dbraw/zinc/72/39/13/1120723913.db2.gz CANHSACXVUPLTQ-UHFFFAOYSA-N 1 2 338.382 3.720 20 0 EHADLO ClC1(Cl)C[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761654248 1120735856 /nfs/dbraw/zinc/73/58/56/1120735856.db2.gz UOKJLOGTJUPHJA-LBPRGKRZSA-N 1 2 335.194 3.643 20 0 EHADLO CN(C)c1noc(C[NH2+][C@@H](CC2CCCCC2)c2ccccc2)n1 ZINC000192781735 1120748922 /nfs/dbraw/zinc/74/89/22/1120748922.db2.gz PIFSUWXMDDFBGN-KRWDZBQOSA-N 1 2 328.460 3.937 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nc2ccccc12 ZINC000193366498 1120773394 /nfs/dbraw/zinc/77/33/94/1120773394.db2.gz FTLGQRMBAAPSQF-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3ncccc3c2)c1C ZINC000195371588 1120779759 /nfs/dbraw/zinc/77/97/59/1120779759.db2.gz OPKGTSOGAMXHAZ-UHFFFAOYSA-N 1 2 335.407 3.527 20 0 EHADLO CC(C)(C)Cc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001127309969 1120900931 /nfs/dbraw/zinc/90/09/31/1120900931.db2.gz LFCMOHUYPWXTIM-KRWDZBQOSA-N 1 2 337.467 3.679 20 0 EHADLO CC(C)(C)c1ccc(/C=C\C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001127309979 1120901818 /nfs/dbraw/zinc/90/18/18/1120901818.db2.gz LIXJFLINQTXXTQ-UZRURVBFSA-N 1 2 349.478 3.787 20 0 EHADLO COCc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1F ZINC000495042891 1120936795 /nfs/dbraw/zinc/93/67/95/1120936795.db2.gz HMVONOMQBMFDPL-QGZVFWFLSA-N 1 2 332.423 3.501 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495073470 1120944571 /nfs/dbraw/zinc/94/45/71/1120944571.db2.gz JDLSSDFJAWIFNF-CYBMUJFWSA-N 1 2 348.288 3.983 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495073470 1120944578 /nfs/dbraw/zinc/94/45/78/1120944578.db2.gz JDLSSDFJAWIFNF-CYBMUJFWSA-N 1 2 348.288 3.983 20 0 EHADLO C[Si](C)(C)c1ccc[nH+]c1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168479070 1120972890 /nfs/dbraw/zinc/97/28/90/1120972890.db2.gz RKMDYKAANKIZAT-ZDUSSCGKSA-N 1 2 325.410 3.737 20 0 EHADLO Cc1nc(CCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000495182352 1120981555 /nfs/dbraw/zinc/98/15/55/1120981555.db2.gz GTBCVDFWIMQAAE-UHFFFAOYSA-N 1 2 326.425 3.599 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cc(Cl)c(Cl)[nH]4)n3)[nH+]c12 ZINC000761890674 1121003439 /nfs/dbraw/zinc/00/34/39/1121003439.db2.gz KWPDPSMCKQJKBW-UHFFFAOYSA-N 1 2 348.193 3.918 20 0 EHADLO Cc1cccn2cc(CC(=O)NC3(c4cccc(Cl)c4)CC3)[nH+]c12 ZINC000076935047 1128963425 /nfs/dbraw/zinc/96/34/25/1128963425.db2.gz IWKZLTKYLXABFP-UHFFFAOYSA-N 1 2 339.826 3.644 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000495388575 1121161695 /nfs/dbraw/zinc/16/16/95/1121161695.db2.gz VQUIMIXXCBJDSH-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000495388575 1121161697 /nfs/dbraw/zinc/16/16/97/1121161697.db2.gz VQUIMIXXCBJDSH-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(N2CCCCC2)c1 ZINC000762207222 1121177758 /nfs/dbraw/zinc/17/77/58/1121177758.db2.gz PIIBQXUYKFGFAJ-UHFFFAOYSA-N 1 2 349.438 3.646 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000762259685 1121222824 /nfs/dbraw/zinc/22/28/24/1121222824.db2.gz FREPSEGESCQHBD-HXUWFJFHSA-N 1 2 349.434 3.651 20 0 EHADLO COc1ccc2cc(/C=C/c3nc(Cc4c[nH+]cn4C)no3)ccc2c1 ZINC000762412169 1121288661 /nfs/dbraw/zinc/28/86/61/1121288661.db2.gz SJKQIDGDHRNPNT-XBXARRHUSA-N 1 2 346.390 3.726 20 0 EHADLO COc1cccc2cc(C(=O)Nc3ccccc3-n3cc[nH+]c3)oc21 ZINC000077030692 1128976769 /nfs/dbraw/zinc/97/67/69/1128976769.db2.gz IXWVJTUQGFOMID-UHFFFAOYSA-N 1 2 333.347 3.879 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000762500825 1121329196 /nfs/dbraw/zinc/32/91/96/1121329196.db2.gz GJSWPVWJHDVHDJ-GOSISDBHSA-N 1 2 328.431 3.521 20 0 EHADLO C[C@@H](C1CC1)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605876 1121487145 /nfs/dbraw/zinc/48/71/45/1121487145.db2.gz MTHMZHZWWAULLT-XHSDSOJGSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H](C1CC1)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605876 1121487148 /nfs/dbraw/zinc/48/71/48/1121487148.db2.gz MTHMZHZWWAULLT-XHSDSOJGSA-N 1 2 345.487 3.558 20 0 EHADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000495843452 1121542579 /nfs/dbraw/zinc/54/25/79/1121542579.db2.gz USQMAZPHDWDVPZ-UHFFFAOYSA-N 1 2 339.867 3.566 20 0 EHADLO CC(C)(NC(=O)c1cccc2[nH+]ccn21)c1cccc(Cl)c1F ZINC001128258192 1128999680 /nfs/dbraw/zinc/99/96/80/1128999680.db2.gz RJDHXKMUWBBVLZ-UHFFFAOYSA-N 1 2 331.778 3.792 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000026190147 1121648189 /nfs/dbraw/zinc/64/81/89/1121648189.db2.gz PSKJRDMGOPHRFP-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000026190147 1121648193 /nfs/dbraw/zinc/64/81/93/1121648193.db2.gz PSKJRDMGOPHRFP-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO C[C@H](c1cccc(NC(=O)C(F)=C2CCCC2)c1)[NH+]1CCOCC1 ZINC000763044102 1121665642 /nfs/dbraw/zinc/66/56/42/1121665642.db2.gz WAPOYDSQHICGEA-CQSZACIVSA-N 1 2 332.419 3.816 20 0 EHADLO Cc1c2cc(Br)ccc2oc1C(=O)OCCn1cc[nH+]c1 ZINC000763109747 1121685859 /nfs/dbraw/zinc/68/58/59/1121685859.db2.gz RZONIXDKFIUCDA-UHFFFAOYSA-N 1 2 349.184 3.557 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000171750525 1121734226 /nfs/dbraw/zinc/73/42/26/1121734226.db2.gz HCNRZAQVZZHCSJ-DZGCQCFKSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000171750525 1121734231 /nfs/dbraw/zinc/73/42/31/1121734231.db2.gz HCNRZAQVZZHCSJ-DZGCQCFKSA-N 1 2 345.512 3.712 20 0 EHADLO CN(CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000054167290 1121743632 /nfs/dbraw/zinc/74/36/32/1121743632.db2.gz PZGYLSYAXXYPMG-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO CCOc1ccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055249633 1121809840 /nfs/dbraw/zinc/80/98/40/1121809840.db2.gz BDAAHGFLDVDQCZ-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000763276021 1121936388 /nfs/dbraw/zinc/93/63/88/1121936388.db2.gz FHCGPFGJBDUADJ-SFHVURJKSA-N 1 2 341.430 3.808 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@@H+]3CC[C@H](C4CC4)C3)[nH]2)c1 ZINC000763332425 1121962757 /nfs/dbraw/zinc/96/27/57/1121962757.db2.gz MXYDDZBGQYKDEE-NSHDSACASA-N 1 2 336.411 3.575 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@H+]3CC[C@H](C4CC4)C3)[nH]2)c1 ZINC000763332425 1121962762 /nfs/dbraw/zinc/96/27/62/1121962762.db2.gz MXYDDZBGQYKDEE-NSHDSACASA-N 1 2 336.411 3.575 20 0 EHADLO Fc1cccc(Cc2nn(C[N@@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)c1 ZINC000763336088 1121967446 /nfs/dbraw/zinc/96/74/46/1121967446.db2.gz YPEUFEWXSKCWTJ-CQSZACIVSA-N 1 2 333.432 3.625 20 0 EHADLO Fc1cccc(Cc2nn(C[N@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)c1 ZINC000763336088 1121967454 /nfs/dbraw/zinc/96/74/54/1121967454.db2.gz YPEUFEWXSKCWTJ-CQSZACIVSA-N 1 2 333.432 3.625 20 0 EHADLO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1OC ZINC000672622305 1129028769 /nfs/dbraw/zinc/02/87/69/1129028769.db2.gz WZENVEABOMNOOJ-BLLLJJGKSA-N 1 2 329.387 3.559 20 0 EHADLO O=C(NCCCC1CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061988842 1122165268 /nfs/dbraw/zinc/16/52/68/1122165268.db2.gz HZLMNQJBMRSRHU-UHFFFAOYSA-N 1 2 344.503 3.710 20 0 EHADLO CC(C)[C@H]1C[C@@H](Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496921848 1122214851 /nfs/dbraw/zinc/21/48/51/1122214851.db2.gz RBTFXIGZFHKKDX-JKSUJKDBSA-N 1 2 349.475 3.722 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)sc1C ZINC000126708962 1122420201 /nfs/dbraw/zinc/42/02/01/1122420201.db2.gz IYBBHEBNAKSCKP-UHFFFAOYSA-N 1 2 329.469 3.680 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(F)cccc1Cl ZINC000126713414 1122420905 /nfs/dbraw/zinc/42/09/05/1122420905.db2.gz NBXLLAFGOUNCRQ-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](c1ccccc1)C1CC1 ZINC000127059927 1122459106 /nfs/dbraw/zinc/45/91/06/1122459106.db2.gz JEIHFTJALRXTSH-FQEVSTJZSA-N 1 2 349.409 3.821 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC000497566731 1122593326 /nfs/dbraw/zinc/59/33/26/1122593326.db2.gz APJCVERGESHWTH-ZDUSSCGKSA-N 1 2 340.254 3.787 20 0 EHADLO CC[N@H+](Cn1nnn(-c2ccc(Cl)cc2)c1=S)C1CCCC1 ZINC000917463185 1122608621 /nfs/dbraw/zinc/60/86/21/1122608621.db2.gz XICHOTLJAJPISO-UHFFFAOYSA-N 1 2 337.880 3.674 20 0 EHADLO CC[N@@H+](Cn1nnn(-c2ccc(Cl)cc2)c1=S)C1CCCC1 ZINC000917463185 1122608625 /nfs/dbraw/zinc/60/86/25/1122608625.db2.gz XICHOTLJAJPISO-UHFFFAOYSA-N 1 2 337.880 3.674 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2c3cc(C)cc(C)c3C(=O)C2=O)c1 ZINC000917617664 1122649982 /nfs/dbraw/zinc/64/99/82/1122649982.db2.gz PGVACUAEISCUFD-SFHVURJKSA-N 1 2 348.446 3.936 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2c3cc(C)cc(C)c3C(=O)C2=O)c1 ZINC000917617664 1122649989 /nfs/dbraw/zinc/64/99/89/1122649989.db2.gz PGVACUAEISCUFD-SFHVURJKSA-N 1 2 348.446 3.936 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)[C@H](OC1CCCC1)c1ccccc1 ZINC000154594606 1122723701 /nfs/dbraw/zinc/72/37/01/1122723701.db2.gz UWKYXTXWFWIXCU-QGZVFWFLSA-N 1 2 345.830 3.879 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCC1CCCCCCC1 ZINC000918114813 1122753723 /nfs/dbraw/zinc/75/37/23/1122753723.db2.gz NALMVYOAJHFPML-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1nc(C(F)(F)F)cs1 ZINC000922072677 1129077666 /nfs/dbraw/zinc/07/76/66/1129077666.db2.gz NASBPFNDGFIRJT-SSDOTTSWSA-N 1 2 343.330 3.860 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000069519613 1122787690 /nfs/dbraw/zinc/78/76/90/1122787690.db2.gz DUUIHABSIHJCNB-LLVKDONJSA-N 1 2 326.849 3.646 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000069519613 1122787693 /nfs/dbraw/zinc/78/76/93/1122787693.db2.gz DUUIHABSIHJCNB-LLVKDONJSA-N 1 2 326.849 3.646 20 0 EHADLO c1csc([C@@H]([NH2+]CCc2ccc3ccccc3c2)c2nnc[nH]2)c1 ZINC000556064768 1122800569 /nfs/dbraw/zinc/80/05/69/1122800569.db2.gz DBWDYXVUUXTXLQ-GOSISDBHSA-N 1 2 334.448 3.941 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc3ccccc3o2)cnc1Br ZINC000930031575 1122835795 /nfs/dbraw/zinc/83/57/95/1122835795.db2.gz KOUCFQGTMDJZQT-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc3ccccc3o2)cnc1Br ZINC000930031575 1122835799 /nfs/dbraw/zinc/83/57/99/1122835799.db2.gz KOUCFQGTMDJZQT-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO COCc1ccccc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923841970 1122935844 /nfs/dbraw/zinc/93/58/44/1122935844.db2.gz VMXPMCBWBYVLPL-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000445158327 1123022204 /nfs/dbraw/zinc/02/22/04/1123022204.db2.gz BSCVSBIYMONBOM-ZDUSSCGKSA-N 1 2 347.488 3.549 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997327 1123029738 /nfs/dbraw/zinc/02/97/38/1123029738.db2.gz QKLPPTZCIAMROD-UPRAQXHNSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997327 1123029744 /nfs/dbraw/zinc/02/97/44/1123029744.db2.gz QKLPPTZCIAMROD-UPRAQXHNSA-N 1 2 344.405 3.630 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2c[nH+]c(C)cc2C)c(OC2CCC2)n1 ZINC000556689371 1123084320 /nfs/dbraw/zinc/08/43/20/1123084320.db2.gz AYGMTRMIGXYHOJ-UHFFFAOYSA-N 1 2 339.439 3.572 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(-c2cccc(F)c2)no1 ZINC000763438952 1123095297 /nfs/dbraw/zinc/09/52/97/1123095297.db2.gz CJWYXUQBJVXIQN-LBPRGKRZSA-N 1 2 339.370 3.757 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000131482780 1123119510 /nfs/dbraw/zinc/11/95/10/1123119510.db2.gz MWMHVFDMIUXWKT-LAUBAEHRSA-N 1 2 345.446 3.962 20 0 EHADLO O=C(Cc1coc2ccccc12)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000556801496 1123130457 /nfs/dbraw/zinc/13/04/57/1123130457.db2.gz QGGYGGOUXNXQND-UHFFFAOYSA-N 1 2 335.338 3.939 20 0 EHADLO CC(C)CCc1noc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)n1 ZINC000072632309 1123134083 /nfs/dbraw/zinc/13/40/83/1123134083.db2.gz SKAGSORCGANYFI-SFHVURJKSA-N 1 2 343.471 3.530 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)n1 ZINC000072632309 1123134085 /nfs/dbraw/zinc/13/40/85/1123134085.db2.gz SKAGSORCGANYFI-SFHVURJKSA-N 1 2 343.471 3.530 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)cs1 ZINC000556848789 1123148909 /nfs/dbraw/zinc/14/89/09/1123148909.db2.gz WUKCEEAYQVHUTD-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)cs1 ZINC000556848789 1123148911 /nfs/dbraw/zinc/14/89/11/1123148911.db2.gz WUKCEEAYQVHUTD-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc4n[nH]cc4c3)n2)cc1 ZINC000556852963 1123150818 /nfs/dbraw/zinc/15/08/18/1123150818.db2.gz NTUATPNIALBBFL-CYBMUJFWSA-N 1 2 333.395 3.772 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CSCCC(C)C)n1 ZINC000919883853 1123207669 /nfs/dbraw/zinc/20/76/69/1123207669.db2.gz DKCSOVOOWWEWAC-UHFFFAOYSA-N 1 2 329.535 3.703 20 0 EHADLO CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921977 1123211027 /nfs/dbraw/zinc/21/10/27/1123211027.db2.gz ZSOZIEDFBZPYLR-FFZOFVMBSA-N 1 2 344.499 3.632 20 0 EHADLO Fc1cccnc1N1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000556927473 1123215939 /nfs/dbraw/zinc/21/59/39/1123215939.db2.gz QRGKDRBGCHUGII-NSCUHMNNSA-N 1 2 331.822 3.710 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000073873320 1123226729 /nfs/dbraw/zinc/22/67/29/1123226729.db2.gz HLDJBQPYVSEVNS-INIZCTEOSA-N 1 2 344.434 3.589 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000919948662 1123236313 /nfs/dbraw/zinc/23/63/13/1123236313.db2.gz WPVJACBFPJXTHY-KRWDZBQOSA-N 1 2 331.485 3.526 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000919948662 1123236319 /nfs/dbraw/zinc/23/63/19/1123236319.db2.gz WPVJACBFPJXTHY-KRWDZBQOSA-N 1 2 331.485 3.526 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543020551 1129112651 /nfs/dbraw/zinc/11/26/51/1129112651.db2.gz FJCRIPRDOPYSRF-SJLPKXTDSA-N 1 2 348.368 3.669 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543020551 1129112653 /nfs/dbraw/zinc/11/26/53/1129112653.db2.gz FJCRIPRDOPYSRF-SJLPKXTDSA-N 1 2 348.368 3.669 20 0 EHADLO CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000920210597 1123334291 /nfs/dbraw/zinc/33/42/91/1123334291.db2.gz IEJLZXGUOXTGEY-INIZCTEOSA-N 1 2 332.488 3.528 20 0 EHADLO CCCCCC[C@H](C)NC(=O)C[N@H+]1CCc2ccc(OC)cc2C1 ZINC000920210597 1123334293 /nfs/dbraw/zinc/33/42/93/1123334293.db2.gz IEJLZXGUOXTGEY-INIZCTEOSA-N 1 2 332.488 3.528 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827409 1123369412 /nfs/dbraw/zinc/36/94/12/1123369412.db2.gz HQTUUDDRWWKLOS-ZIAGYGMSSA-N 1 2 335.473 3.824 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827409 1123369416 /nfs/dbraw/zinc/36/94/16/1123369416.db2.gz HQTUUDDRWWKLOS-ZIAGYGMSSA-N 1 2 335.473 3.824 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022464 1129118500 /nfs/dbraw/zinc/11/85/00/1129118500.db2.gz XGRCNHNMUAQXIC-CRAIPNDOSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022464 1129118503 /nfs/dbraw/zinc/11/85/03/1129118503.db2.gz XGRCNHNMUAQXIC-CRAIPNDOSA-N 1 2 342.405 3.792 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000921209685 1123484097 /nfs/dbraw/zinc/48/40/97/1123484097.db2.gz IOIGCIKPFBUBHV-AWEZNQCLSA-N 1 2 337.872 3.807 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000921209685 1123484102 /nfs/dbraw/zinc/48/41/02/1123484102.db2.gz IOIGCIKPFBUBHV-AWEZNQCLSA-N 1 2 337.872 3.807 20 0 EHADLO CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076710362 1123515722 /nfs/dbraw/zinc/51/57/22/1123515722.db2.gz ILMXQCNGLJPLGE-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cs1 ZINC000134622077 1123537340 /nfs/dbraw/zinc/53/73/40/1123537340.db2.gz XYASSXFZFVFLTQ-QWHCGFSZSA-N 1 2 339.505 3.583 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cs1 ZINC000134622077 1123537344 /nfs/dbraw/zinc/53/73/44/1123537344.db2.gz XYASSXFZFVFLTQ-QWHCGFSZSA-N 1 2 339.505 3.583 20 0 EHADLO C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccccc1 ZINC000134831109 1123556824 /nfs/dbraw/zinc/55/68/24/1123556824.db2.gz WEZFPDDCEMPBMP-UHFFFAOYSA-N 1 2 333.313 3.786 20 0 EHADLO C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccccc1 ZINC000134831109 1123556828 /nfs/dbraw/zinc/55/68/28/1123556828.db2.gz WEZFPDDCEMPBMP-UHFFFAOYSA-N 1 2 333.313 3.786 20 0 EHADLO CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1OC ZINC000565178348 1123560216 /nfs/dbraw/zinc/56/02/16/1123560216.db2.gz SLOBRASMRHEYGD-LSDHHAIUSA-N 1 2 329.444 3.597 20 0 EHADLO CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1OC ZINC000565178348 1123560220 /nfs/dbraw/zinc/56/02/20/1123560220.db2.gz SLOBRASMRHEYGD-LSDHHAIUSA-N 1 2 329.444 3.597 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000543031407 1129131513 /nfs/dbraw/zinc/13/15/13/1129131513.db2.gz DUEQWJKLHUFFIN-JMSVASOKSA-N 1 2 327.346 3.651 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282330167 1129136747 /nfs/dbraw/zinc/13/67/47/1129136747.db2.gz NXNJHPQALINZQW-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000136138873 1123671721 /nfs/dbraw/zinc/67/17/21/1123671721.db2.gz LMLZUJOTHYALNY-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000136138873 1123671724 /nfs/dbraw/zinc/67/17/24/1123671724.db2.gz LMLZUJOTHYALNY-UHFFFAOYSA-N 1 2 341.842 3.907 20 0 EHADLO CCC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C[C@@H]1CCCCO1 ZINC000079432469 1123693942 /nfs/dbraw/zinc/69/39/42/1123693942.db2.gz DOOMJCCBTOSREQ-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO CCC[N@H+](Cc1nc(Cc2ccccc2C)no1)C[C@@H]1CCCCO1 ZINC000079432469 1123693947 /nfs/dbraw/zinc/69/39/47/1123693947.db2.gz DOOMJCCBTOSREQ-SFHVURJKSA-N 1 2 343.471 3.750 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000610004680 1123711140 /nfs/dbraw/zinc/71/11/40/1123711140.db2.gz XFDZMUWMVPHCIT-OVWNDWIMSA-N 1 2 338.325 3.538 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000610004680 1123711144 /nfs/dbraw/zinc/71/11/44/1123711144.db2.gz XFDZMUWMVPHCIT-OVWNDWIMSA-N 1 2 338.325 3.538 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@@H]1CCCCO1 ZINC000610160664 1123742068 /nfs/dbraw/zinc/74/20/68/1123742068.db2.gz LEHUXHZISAMCDQ-HNNXBMFYSA-N 1 2 342.439 3.725 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000137083343 1123749362 /nfs/dbraw/zinc/74/93/62/1123749362.db2.gz UPLRJEJTEUAIHO-UHFFFAOYSA-N 1 2 331.485 3.775 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000615328943 1123779752 /nfs/dbraw/zinc/77/97/52/1123779752.db2.gz HWUHHOPMWVTUMH-KGLIPLIRSA-N 1 2 338.411 3.764 20 0 EHADLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000179690658 1123824934 /nfs/dbraw/zinc/82/49/34/1123824934.db2.gz BUXTYXOWULZSNO-UHFFFAOYSA-N 1 2 335.039 3.511 20 0 EHADLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000179690658 1123824940 /nfs/dbraw/zinc/82/49/40/1123824940.db2.gz BUXTYXOWULZSNO-UHFFFAOYSA-N 1 2 335.039 3.511 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245657132 1123911801 /nfs/dbraw/zinc/91/18/01/1123911801.db2.gz GHZPCMMMJZZKND-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245657132 1123911804 /nfs/dbraw/zinc/91/18/04/1123911804.db2.gz GHZPCMMMJZZKND-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)sc2C1 ZINC000245687561 1123922957 /nfs/dbraw/zinc/92/29/57/1123922957.db2.gz IWRAAHDHWTWIFX-MELADBBJSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)sc2C1 ZINC000245687561 1123922958 /nfs/dbraw/zinc/92/29/58/1123922958.db2.gz IWRAAHDHWTWIFX-MELADBBJSA-N 1 2 333.501 3.676 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245696297 1123927883 /nfs/dbraw/zinc/92/78/83/1123927883.db2.gz PUQPMMWYOPMLKY-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245696297 1123927890 /nfs/dbraw/zinc/92/78/90/1123927890.db2.gz PUQPMMWYOPMLKY-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245746142 1123943209 /nfs/dbraw/zinc/94/32/09/1123943209.db2.gz WLMGTBNOYSBTMA-CEXWTWQISA-N 1 2 341.499 3.905 20 0 EHADLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)ccc1C(F)(F)F ZINC000616114521 1123946353 /nfs/dbraw/zinc/94/63/53/1123946353.db2.gz ASQJAJYLWKAIAS-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](c2ccccc2)C1 ZINC000616281305 1123974065 /nfs/dbraw/zinc/97/40/65/1123974065.db2.gz HYPJGOIVVHLIOA-UKNAQKAOSA-N 1 2 337.467 3.612 20 0 EHADLO O=C(N[C@H]1CC12CCCCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543051021 1129164226 /nfs/dbraw/zinc/16/42/26/1129164226.db2.gz CIYBVBAWCIZHAG-SFHVURJKSA-N 1 2 344.503 3.808 20 0 EHADLO CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000617246383 1124455594 /nfs/dbraw/zinc/45/55/94/1124455594.db2.gz PSLZIFOJFVTGCU-UHFFFAOYSA-N 1 2 348.406 3.700 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000246507605 1124492639 /nfs/dbraw/zinc/49/26/39/1124492639.db2.gz FHLAMDZRYHNBTJ-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000246507605 1124492645 /nfs/dbraw/zinc/49/26/45/1124492645.db2.gz FHLAMDZRYHNBTJ-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407488 1124526553 /nfs/dbraw/zinc/52/65/53/1124526553.db2.gz QFCSCZVPDHSMPA-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO COc1cccc(OCC[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246782053 1124549620 /nfs/dbraw/zinc/54/96/20/1124549620.db2.gz RUUIQPLZLCSSNT-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO COc1cccc(OCC[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000246782053 1124549627 /nfs/dbraw/zinc/54/96/27/1124549627.db2.gz RUUIQPLZLCSSNT-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C ZINC000246902282 1124563933 /nfs/dbraw/zinc/56/39/33/1124563933.db2.gz JVXZTYBXFBPMMX-VKJFTORMSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C ZINC000246902282 1124563951 /nfs/dbraw/zinc/56/39/51/1124563951.db2.gz JVXZTYBXFBPMMX-VKJFTORMSA-N 1 2 343.423 3.898 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000140213160 1124587471 /nfs/dbraw/zinc/58/74/71/1124587471.db2.gz DUUFDGVGQOZDJB-QGZVFWFLSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000140213160 1124587481 /nfs/dbraw/zinc/58/74/81/1124587481.db2.gz DUUFDGVGQOZDJB-QGZVFWFLSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000181151732 1124592979 /nfs/dbraw/zinc/59/29/79/1124592979.db2.gz RBUMSGHVRCOOCH-INIZCTEOSA-N 1 2 339.420 3.872 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069393758 1124743536 /nfs/dbraw/zinc/74/35/36/1124743536.db2.gz LVTATAGQBXHNOV-KXBFYZLASA-N 1 2 349.434 3.838 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000069391576 1124743573 /nfs/dbraw/zinc/74/35/73/1124743573.db2.gz QSDGVXDHQULOCU-UHFFFAOYSA-N 1 2 331.419 3.529 20 0 EHADLO Cc1cc(NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734834727 1131284545 /nfs/dbraw/zinc/28/45/45/1131284545.db2.gz FZZSSWJOUSDCHQ-CQSZACIVSA-N 1 2 346.475 3.721 20 0 EHADLO CC1(C)CCC(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000089314567 1124804586 /nfs/dbraw/zinc/80/45/86/1124804586.db2.gz ORUAFDREZZFRLC-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC4(CCCC4)[C@@H]3c3ccco3)ccn12 ZINC000617920463 1124837542 /nfs/dbraw/zinc/83/75/42/1124837542.db2.gz CMFCGTFNDOQGQP-SFHVURJKSA-N 1 2 335.407 3.993 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCSCC2)c(Cl)c1 ZINC000089979791 1124880451 /nfs/dbraw/zinc/88/04/51/1124880451.db2.gz DYHIXWPTEBGRQA-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCCSCC2)c(Cl)c1 ZINC000089979791 1124880456 /nfs/dbraw/zinc/88/04/56/1124880456.db2.gz DYHIXWPTEBGRQA-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Clc1ccc(COCC[NH2+][C@H]2CCCc3[nH]ncc32)c(Cl)c1 ZINC000353616920 1124979881 /nfs/dbraw/zinc/97/98/81/1124979881.db2.gz BYCZWYZTBOBCHK-HNNXBMFYSA-N 1 2 340.254 3.900 20 0 EHADLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000181671460 1125009339 /nfs/dbraw/zinc/00/93/39/1125009339.db2.gz NJUGLUMDSGSNQJ-ZDUSSCGKSA-N 1 2 333.347 3.932 20 0 EHADLO Cc1ccc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1C ZINC000618165201 1125014478 /nfs/dbraw/zinc/01/44/78/1125014478.db2.gz LJWUVUJWKCXYDY-FQEVSTJZSA-N 1 2 347.462 3.907 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263936385 1125231490 /nfs/dbraw/zinc/23/14/90/1125231490.db2.gz FFOGULWBZPZJBF-WBMJQRKESA-N 1 2 344.846 3.640 20 0 EHADLO C/C(=C/C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000076022780 1125276743 /nfs/dbraw/zinc/27/67/43/1125276743.db2.gz STSYFGMCITUVFI-IFCKCIONSA-N 1 2 329.419 3.657 20 0 EHADLO C[C@@](CO)([NH2+]C/C(Cl)=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000763562658 1125332512 /nfs/dbraw/zinc/33/25/12/1125332512.db2.gz OCEOBJBSAYCBOW-BCMYLCSRSA-N 1 2 328.161 3.822 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000254995307 1125360032 /nfs/dbraw/zinc/36/00/32/1125360032.db2.gz ZVKJRAJOZYQPGL-GDWUOILNSA-N 1 2 331.419 3.741 20 0 EHADLO CC(C)(CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000619587746 1125369134 /nfs/dbraw/zinc/36/91/34/1125369134.db2.gz WRXHVIXUUMCVRZ-UHFFFAOYSA-N 1 2 333.435 3.970 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000619617748 1125370340 /nfs/dbraw/zinc/37/03/40/1125370340.db2.gz KVQNHDORYWXYEJ-TWGQIWQCSA-N 1 2 346.474 3.647 20 0 EHADLO C[N@H+](Cc1c(Br)cncc1Br)C1CCCC1 ZINC000564527898 1125373595 /nfs/dbraw/zinc/37/35/95/1125373595.db2.gz FENVITAYXDWLFX-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO C[N@@H+](Cc1c(Br)cncc1Br)C1CCCC1 ZINC000564527898 1125373598 /nfs/dbraw/zinc/37/35/98/1125373598.db2.gz FENVITAYXDWLFX-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO c1coc(C[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]2CCCO2)c1 ZINC000619729048 1125394085 /nfs/dbraw/zinc/39/40/85/1125394085.db2.gz GKTKJBLJMQBQIA-FQEVSTJZSA-N 1 2 349.434 3.918 20 0 EHADLO c1coc(C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]2CCCO2)c1 ZINC000619729048 1125394088 /nfs/dbraw/zinc/39/40/88/1125394088.db2.gz GKTKJBLJMQBQIA-FQEVSTJZSA-N 1 2 349.434 3.918 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000183118355 1125447143 /nfs/dbraw/zinc/44/71/43/1125447143.db2.gz MVWLNMMNOGFFGQ-HOTGVXAUSA-N 1 2 327.453 3.711 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114782116 1129192916 /nfs/dbraw/zinc/19/29/16/1129192916.db2.gz LZPCJRXRUZTVQO-MSOLQXFVSA-N 1 2 346.519 3.685 20 0 EHADLO O=C(NC(C1CCCC1)C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735582445 1131359907 /nfs/dbraw/zinc/35/99/07/1131359907.db2.gz IAUXJSQTKQMKBM-SFHVURJKSA-N 1 2 344.503 3.979 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000673233366 1129247332 /nfs/dbraw/zinc/24/73/32/1129247332.db2.gz UCLBPAMZWIBCOM-HKUYNNGSSA-N 1 2 338.455 3.616 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000115319437 1129257643 /nfs/dbraw/zinc/25/76/43/1129257643.db2.gz RZFACDNRWPKWDH-QGZVFWFLSA-N 1 2 340.492 3.512 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000543133416 1129268832 /nfs/dbraw/zinc/26/88/32/1129268832.db2.gz RYDADWPLWUYLKV-ACJLOTCBSA-N 1 2 334.423 3.638 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000673323073 1129297569 /nfs/dbraw/zinc/29/75/69/1129297569.db2.gz DOGXLRUBAITKHH-CQSZACIVSA-N 1 2 325.387 3.833 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(F)c1Cl ZINC001143616083 1129333418 /nfs/dbraw/zinc/33/34/18/1129333418.db2.gz LPLMBBGJYBAQEN-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c(F)c1Cl ZINC001143616083 1129333423 /nfs/dbraw/zinc/33/34/23/1129333423.db2.gz LPLMBBGJYBAQEN-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068544777 1129379382 /nfs/dbraw/zinc/37/93/82/1129379382.db2.gz MFKQVKDGVDDJJN-UHFFFAOYSA-N 1 2 339.439 3.611 20 0 EHADLO Fc1c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cccc1OC1CC1 ZINC000922241249 1129389315 /nfs/dbraw/zinc/38/93/15/1129389315.db2.gz CYHDDRDHPGHMMJ-UHFFFAOYSA-N 1 2 335.810 3.911 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000922269283 1129420062 /nfs/dbraw/zinc/42/00/62/1129420062.db2.gz MFIUZKXEMTXHCX-OAHLLOKOSA-N 1 2 341.846 3.588 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000069281541 1129437657 /nfs/dbraw/zinc/43/76/57/1129437657.db2.gz GIPNNGMMUKQAAJ-AEFFLSMTSA-N 1 2 344.503 3.709 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000117479437 1129445945 /nfs/dbraw/zinc/44/59/45/1129445945.db2.gz IFHBWBSUCBEGJP-QGZVFWFLSA-N 1 2 340.471 3.653 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000117476853 1129446067 /nfs/dbraw/zinc/44/60/67/1129446067.db2.gz LOXRAHXKGYPRSK-QGZVFWFLSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1ccc(C)c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000673472518 1129447105 /nfs/dbraw/zinc/44/71/05/1129447105.db2.gz ROCPPECNKMKLRD-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3cnn(C4CCC4)c3)no2)c(F)c1 ZINC000922323569 1129465393 /nfs/dbraw/zinc/46/53/93/1129465393.db2.gz NDCIVMDVIFZHBO-UHFFFAOYSA-N 1 2 344.365 3.831 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc[nH+]c1N)c1ccc(C(F)(F)F)cc1 ZINC000922443501 1129534353 /nfs/dbraw/zinc/53/43/53/1129534353.db2.gz CPBWYERRMKXXPT-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO Cc1cc2cc(C[NH2+]Cc3cn(C)nc3Br)oc2cc1C ZINC000922468601 1129539836 /nfs/dbraw/zinc/53/98/36/1129539836.db2.gz BTDDKYURKJCNKW-UHFFFAOYSA-N 1 2 348.244 3.835 20 0 EHADLO Cc1ccc(OCCCC(=O)OCc2ccc[nH+]c2N)c(Cl)c1 ZINC000922538497 1129565282 /nfs/dbraw/zinc/56/52/82/1129565282.db2.gz NQQZTQNFHSUAKI-UHFFFAOYSA-N 1 2 334.803 3.528 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC000347722821 1129565497 /nfs/dbraw/zinc/56/54/97/1129565497.db2.gz RVIXTQCRDOTBKZ-HNNXBMFYSA-N 1 2 339.414 3.645 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC000347722821 1129565501 /nfs/dbraw/zinc/56/55/01/1129565501.db2.gz RVIXTQCRDOTBKZ-HNNXBMFYSA-N 1 2 339.414 3.645 20 0 EHADLO CCOc1c(Cl)cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OC ZINC000922582393 1129581888 /nfs/dbraw/zinc/58/18/88/1129581888.db2.gz LRWPKUCWUXLIQN-MRXNPFEDSA-N 1 2 347.846 3.778 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(Br)c3F)ccc2[nH+]1 ZINC000428916033 1129601531 /nfs/dbraw/zinc/60/15/31/1129601531.db2.gz DKKWUROAEUJZRS-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000624941601 1129610797 /nfs/dbraw/zinc/61/07/97/1129610797.db2.gz WPJZMKXOKBXWHR-PVTKRXDGSA-N 1 2 333.819 3.524 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000428953062 1129635618 /nfs/dbraw/zinc/63/56/18/1129635618.db2.gz FDXJPILYJAEEJE-INIZCTEOSA-N 1 2 334.508 3.836 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ncccn1 ZINC001168734118 1129649825 /nfs/dbraw/zinc/64/98/25/1129649825.db2.gz RRQOJOQSABJKPM-LSDHHAIUSA-N 1 2 347.422 3.536 20 0 EHADLO Nc1ccc(COC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c[nH+]1 ZINC000922775723 1129657436 /nfs/dbraw/zinc/65/74/36/1129657436.db2.gz LBSXBAIJSFGGJG-TZMCWYRMSA-N 1 2 334.778 3.693 20 0 EHADLO O=C(NCC1(C2CCC2)CCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922804162 1129674250 /nfs/dbraw/zinc/67/42/50/1129674250.db2.gz TYBLAVNMWABBRR-UHFFFAOYSA-N 1 2 342.487 3.638 20 0 EHADLO COc1ccc(O)c(C[N@@H+]2Cc3cccc(Br)c3C2)c1 ZINC000186583687 1129685036 /nfs/dbraw/zinc/68/50/36/1129685036.db2.gz XQCDCPPGZKWPOF-UHFFFAOYSA-N 1 2 334.213 3.679 20 0 EHADLO COc1ccc(O)c(C[N@H+]2Cc3cccc(Br)c3C2)c1 ZINC000186583687 1129685038 /nfs/dbraw/zinc/68/50/38/1129685038.db2.gz XQCDCPPGZKWPOF-UHFFFAOYSA-N 1 2 334.213 3.679 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000429002554 1129686392 /nfs/dbraw/zinc/68/63/92/1129686392.db2.gz HROMGDNEYOBZAN-GOSISDBHSA-N 1 2 342.487 3.977 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1ccncc1Br ZINC000625042712 1129713211 /nfs/dbraw/zinc/71/32/11/1129713211.db2.gz GZQFZAQIWZGZDX-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1ccncc1Br ZINC000625042712 1129713213 /nfs/dbraw/zinc/71/32/13/1129713213.db2.gz GZQFZAQIWZGZDX-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1cscc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282411761 1129727590 /nfs/dbraw/zinc/72/75/90/1129727590.db2.gz SQJVUKHQXNGRFG-AWEZNQCLSA-N 1 2 329.469 3.609 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2Cl)cc1 ZINC000021671608 1129730058 /nfs/dbraw/zinc/73/00/58/1129730058.db2.gz BYLBNRKZZMNWMI-HNNXBMFYSA-N 1 2 330.859 3.785 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2Cl)cc1 ZINC000021671608 1129730061 /nfs/dbraw/zinc/73/00/61/1129730061.db2.gz BYLBNRKZZMNWMI-HNNXBMFYSA-N 1 2 330.859 3.785 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133301 1129741480 /nfs/dbraw/zinc/74/14/80/1129741480.db2.gz YNWFTAVHKDZCTG-SJORKVTESA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133301 1129741481 /nfs/dbraw/zinc/74/14/81/1129741481.db2.gz YNWFTAVHKDZCTG-SJORKVTESA-N 1 2 327.827 3.668 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001168739285 1129776126 /nfs/dbraw/zinc/77/61/26/1129776126.db2.gz NWUJLQZQPBRRER-WMZOPIPTSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001168739285 1129776127 /nfs/dbraw/zinc/77/61/27/1129776127.db2.gz NWUJLQZQPBRRER-WMZOPIPTSA-N 1 2 343.854 3.587 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000625261439 1129788008 /nfs/dbraw/zinc/78/80/08/1129788008.db2.gz RAKUNLKTFQWEIC-LBPRGKRZSA-N 1 2 332.366 3.606 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000625261439 1129788011 /nfs/dbraw/zinc/78/80/11/1129788011.db2.gz RAKUNLKTFQWEIC-LBPRGKRZSA-N 1 2 332.366 3.606 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000673725620 1129811284 /nfs/dbraw/zinc/81/12/84/1129811284.db2.gz VUBHFZZGRQUPKC-SJORKVTESA-N 1 2 325.456 3.540 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C)c(Cl)c3)[nH+]c12 ZINC000673724401 1129811357 /nfs/dbraw/zinc/81/13/57/1129811357.db2.gz LNJXTAITYDEZBP-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H](C)c3ccc(F)cc3)[nH+]c12 ZINC000673726255 1129812437 /nfs/dbraw/zinc/81/24/37/1129812437.db2.gz SNJQPRFGAYUKIY-HNNXBMFYSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3sccc3C(C)C)[nH+]c12 ZINC000673725182 1129812575 /nfs/dbraw/zinc/81/25/75/1129812575.db2.gz SNYSJYDQPHNYCO-UHFFFAOYSA-N 1 2 327.453 3.800 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000625324005 1129830471 /nfs/dbraw/zinc/83/04/71/1129830471.db2.gz RRSVPMAZFQWSEF-SJORKVTESA-N 1 2 345.418 3.828 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000625324005 1129830477 /nfs/dbraw/zinc/83/04/77/1129830477.db2.gz RRSVPMAZFQWSEF-SJORKVTESA-N 1 2 345.418 3.828 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccncc2Br)C1 ZINC000625323707 1129831528 /nfs/dbraw/zinc/83/15/28/1129831528.db2.gz IZLZAWDGXYMRMO-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccncc2Br)C1 ZINC000625323707 1129831533 /nfs/dbraw/zinc/83/15/33/1129831533.db2.gz IZLZAWDGXYMRMO-LRDDRELGSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673762247 1129835859 /nfs/dbraw/zinc/83/58/59/1129835859.db2.gz MWYHKOZEUMVQAW-DOTOQJQBSA-N 1 2 334.423 3.819 20 0 EHADLO Cc1cc2cc(NC(=O)NCCc3cn4cccc(C)c4[nH+]3)ccc2[nH]1 ZINC000673762482 1129835957 /nfs/dbraw/zinc/83/59/57/1129835957.db2.gz SEWBCVGFQWMCJB-UHFFFAOYSA-N 1 2 347.422 3.797 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC4(C3)CCCCC4)[nH+]c12 ZINC000673775693 1129838749 /nfs/dbraw/zinc/83/87/49/1129838749.db2.gz DKKROJCKQPLLTP-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168744177 1129875647 /nfs/dbraw/zinc/87/56/47/1129875647.db2.gz RNJBVCRVLWZEHW-BEFAXECRSA-N 1 2 342.870 3.925 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000625459462 1129886693 /nfs/dbraw/zinc/88/66/93/1129886693.db2.gz XCKIEZYVWKUIDS-GXFFZTMASA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@@H]1C ZINC000625459462 1129886698 /nfs/dbraw/zinc/88/66/98/1129886698.db2.gz XCKIEZYVWKUIDS-GXFFZTMASA-N 1 2 348.231 3.974 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000543504432 1129904919 /nfs/dbraw/zinc/90/49/19/1129904919.db2.gz NDBCWACJTNSHCT-APWZRJJASA-N 1 2 342.487 3.724 20 0 EHADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387573 1129985311 /nfs/dbraw/zinc/98/53/11/1129985311.db2.gz DMXOHAWRHPJPOH-STQMWFEESA-N 1 2 343.298 3.930 20 0 EHADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387573 1129985313 /nfs/dbraw/zinc/98/53/13/1129985313.db2.gz DMXOHAWRHPJPOH-STQMWFEESA-N 1 2 343.298 3.930 20 0 EHADLO C[C@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000674097738 1130003228 /nfs/dbraw/zinc/00/32/28/1130003228.db2.gz NGPOSJKWEFLZOY-MAUKXSAKSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221908 1130010927 /nfs/dbraw/zinc/01/09/27/1130010927.db2.gz SZPIXQKZPOEAFD-PBHICJAKSA-N 1 2 349.906 3.609 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3cccs3)CC2)s1 ZINC000172402740 1130130502 /nfs/dbraw/zinc/13/05/02/1130130502.db2.gz QTIXHKGIZWDZHJ-UHFFFAOYSA-N 1 2 348.537 3.649 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674571433 1130135636 /nfs/dbraw/zinc/13/56/36/1130135636.db2.gz BXSFKUYNQONCSC-QGZVFWFLSA-N 1 2 326.444 3.877 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2[nH+]cccc2N2CCCCC2)c1 ZINC001212524886 1130222679 /nfs/dbraw/zinc/22/26/79/1130222679.db2.gz GJAZTUVEGPFMQY-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000429243460 1130251686 /nfs/dbraw/zinc/25/16/86/1130251686.db2.gz APQMAXIWCOQXID-ZDUSSCGKSA-N 1 2 343.377 3.817 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000429243460 1130251692 /nfs/dbraw/zinc/25/16/92/1130251692.db2.gz APQMAXIWCOQXID-ZDUSSCGKSA-N 1 2 343.377 3.817 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000173652887 1130274427 /nfs/dbraw/zinc/27/44/27/1130274427.db2.gz RXYWPRMXJHEBKH-RHSMWYFYSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000173652887 1130274430 /nfs/dbraw/zinc/27/44/30/1130274430.db2.gz RXYWPRMXJHEBKH-RHSMWYFYSA-N 1 2 337.427 3.677 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000675270743 1130297286 /nfs/dbraw/zinc/29/72/86/1130297286.db2.gz PEDSXNURSWHHFX-NJAFHUGGSA-N 1 2 332.492 3.835 20 0 EHADLO CCCC1(CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675320923 1130309158 /nfs/dbraw/zinc/30/91/58/1130309158.db2.gz WCTGNEMTECQFTN-QGZVFWFLSA-N 1 2 340.471 3.583 20 0 EHADLO Cc1cccn2c(C[NH2+][C@@H](COCC(C)C)c3ccco3)cnc12 ZINC000174328893 1130351614 /nfs/dbraw/zinc/35/16/14/1130351614.db2.gz VVHCTCZFJILDIE-KRWDZBQOSA-N 1 2 327.428 3.739 20 0 EHADLO CCC(CC)(CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000675451873 1130382704 /nfs/dbraw/zinc/38/27/04/1130382704.db2.gz BTCYVRSHBQIDBW-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3ccc(C)c(Br)c3)ccn12 ZINC001129011125 1130405927 /nfs/dbraw/zinc/40/59/27/1130405927.db2.gz MIUKTDGQWRSASO-UHFFFAOYSA-N 1 2 345.196 3.933 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)s1 ZINC000026136393 1130412906 /nfs/dbraw/zinc/41/29/06/1130412906.db2.gz ZHMMLBHBYYJTRP-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676126355 1130536233 /nfs/dbraw/zinc/53/62/33/1130536233.db2.gz PZKRWOAFBABKCR-CYBMUJFWSA-N 1 2 327.457 3.534 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676126355 1130536240 /nfs/dbraw/zinc/53/62/40/1130536240.db2.gz PZKRWOAFBABKCR-CYBMUJFWSA-N 1 2 327.457 3.534 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000676361170 1130570079 /nfs/dbraw/zinc/57/00/79/1130570079.db2.gz UXFVYFJSKDMCIS-UHFFFAOYSA-N 1 2 342.508 3.642 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000536023092 1130590187 /nfs/dbraw/zinc/59/01/87/1130590187.db2.gz MHOJGRCADYHWOH-INIZCTEOSA-N 1 2 336.357 3.862 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000536023092 1130590191 /nfs/dbraw/zinc/59/01/91/1130590191.db2.gz MHOJGRCADYHWOH-INIZCTEOSA-N 1 2 336.357 3.862 20 0 EHADLO COc1cccc(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c1OC(C)C ZINC000536023733 1130591550 /nfs/dbraw/zinc/59/15/50/1130591550.db2.gz WZFCVTWZDHBDCV-LJQANCHMSA-N 1 2 340.467 3.759 20 0 EHADLO COc1cccc(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c1OC(C)C ZINC000536023733 1130591552 /nfs/dbraw/zinc/59/15/52/1130591552.db2.gz WZFCVTWZDHBDCV-LJQANCHMSA-N 1 2 340.467 3.759 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)n1CCc1cccs1 ZINC000727819875 1130600736 /nfs/dbraw/zinc/60/07/36/1130600736.db2.gz OCHAKPIAFBNPQE-ZDUSSCGKSA-N 1 2 338.546 3.961 20 0 EHADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)n1CCc1cccs1 ZINC000727819875 1130600741 /nfs/dbraw/zinc/60/07/41/1130600741.db2.gz OCHAKPIAFBNPQE-ZDUSSCGKSA-N 1 2 338.546 3.961 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000728041115 1130619685 /nfs/dbraw/zinc/61/96/85/1130619685.db2.gz CCLYTYDBTQAMEV-AWEZNQCLSA-N 1 2 328.481 3.657 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000728041115 1130619688 /nfs/dbraw/zinc/61/96/88/1130619688.db2.gz CCLYTYDBTQAMEV-AWEZNQCLSA-N 1 2 328.481 3.657 20 0 EHADLO CC(=O)c1ccccc1OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000729987574 1130663283 /nfs/dbraw/zinc/66/32/83/1130663283.db2.gz KYALCQHULVEHMJ-UHFFFAOYSA-N 1 2 346.814 3.663 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000729986155 1130663561 /nfs/dbraw/zinc/66/35/61/1130663561.db2.gz USZIMTMGTLMUMR-MRXNPFEDSA-N 1 2 342.512 3.741 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)nc1C1CC1 ZINC000729986155 1130663565 /nfs/dbraw/zinc/66/35/65/1130663565.db2.gz USZIMTMGTLMUMR-MRXNPFEDSA-N 1 2 342.512 3.741 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCc3sccc3C2)C1 ZINC000730456351 1130712654 /nfs/dbraw/zinc/71/26/54/1130712654.db2.gz YTGTVYKJBQCVKG-GFCCVEGCSA-N 1 2 334.510 3.502 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCCc3sccc3C2)C1 ZINC000730456351 1130712659 /nfs/dbraw/zinc/71/26/59/1130712659.db2.gz YTGTVYKJBQCVKG-GFCCVEGCSA-N 1 2 334.510 3.502 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2ccc(-c3ccccc3)n2)cc1F ZINC000731658188 1130824441 /nfs/dbraw/zinc/82/44/41/1130824441.db2.gz WDPLLZRKYXNQME-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2ccc(-c3ccccc3)n2)cc1F ZINC000731658188 1130824448 /nfs/dbraw/zinc/82/44/48/1130824448.db2.gz WDPLLZRKYXNQME-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1C ZINC000731981186 1130872262 /nfs/dbraw/zinc/87/22/62/1130872262.db2.gz BLGLGJZSTVDTRK-UHFFFAOYSA-N 1 2 335.407 3.632 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732062108 1130883297 /nfs/dbraw/zinc/88/32/97/1130883297.db2.gz RNOMDDTWXWUYCK-WBVHZDCISA-N 1 2 345.512 3.842 20 0 EHADLO CC/C=C(\C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732136346 1130889615 /nfs/dbraw/zinc/88/96/15/1130889615.db2.gz YKGFVLCFIMMDDL-RBBXRFMQSA-N 1 2 338.854 3.916 20 0 EHADLO CC/C=C(\C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732136346 1130889624 /nfs/dbraw/zinc/88/96/24/1130889624.db2.gz YKGFVLCFIMMDDL-RBBXRFMQSA-N 1 2 338.854 3.916 20 0 EHADLO CC1(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)CCCCC1 ZINC001273302737 1131162513 /nfs/dbraw/zinc/16/25/13/1131162513.db2.gz YHIUXKMDXKAWIR-UHFFFAOYSA-N 1 2 332.410 3.586 20 0 EHADLO CC1(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)CCCCC1 ZINC001273302737 1131162516 /nfs/dbraw/zinc/16/25/16/1131162516.db2.gz YHIUXKMDXKAWIR-UHFFFAOYSA-N 1 2 332.410 3.586 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Cc2ccccc2F)n1 ZINC000737812691 1131455950 /nfs/dbraw/zinc/45/59/50/1131455950.db2.gz YOSGAJCCUCPLET-ZDUSSCGKSA-N 1 2 349.475 3.941 20 0 EHADLO CC[N@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CCC1 ZINC000738054338 1131461305 /nfs/dbraw/zinc/46/13/05/1131461305.db2.gz NYUMXLNBGHTIGD-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CC[N@@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CCC1 ZINC000738054338 1131461307 /nfs/dbraw/zinc/46/13/07/1131461307.db2.gz NYUMXLNBGHTIGD-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCO[C@@H](C)C3)c2=S)c(C)c1 ZINC000738160572 1131463073 /nfs/dbraw/zinc/46/30/73/1131463073.db2.gz JXBHWYMDDCBNAS-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCO[C@@H](C)C3)c2=S)c(C)c1 ZINC000738160572 1131463076 /nfs/dbraw/zinc/46/30/76/1131463076.db2.gz JXBHWYMDDCBNAS-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+]3CCCCC[C@H]3C)c(=S)o2)cs1 ZINC000738225226 1131463705 /nfs/dbraw/zinc/46/37/05/1131463705.db2.gz RZSDDFWREVHYOL-LLVKDONJSA-N 1 2 338.502 3.783 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+]3CCCCC[C@H]3C)c(=S)o2)cs1 ZINC000738225226 1131463706 /nfs/dbraw/zinc/46/37/06/1131463706.db2.gz RZSDDFWREVHYOL-LLVKDONJSA-N 1 2 338.502 3.783 20 0 EHADLO Cc1cccc([C@H](C)C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000739473320 1131504488 /nfs/dbraw/zinc/50/44/88/1131504488.db2.gz LQUBQFRHFJQMHA-SFHVURJKSA-N 1 2 341.451 3.995 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830782 1131513953 /nfs/dbraw/zinc/51/39/53/1131513953.db2.gz JNXRIJSHWUDUQQ-SFHVURJKSA-N 1 2 344.842 3.793 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830782 1131513958 /nfs/dbraw/zinc/51/39/58/1131513958.db2.gz JNXRIJSHWUDUQQ-SFHVURJKSA-N 1 2 344.842 3.793 20 0 EHADLO CC(C)c1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=S)n1Cc1ccco1 ZINC000740857749 1131549113 /nfs/dbraw/zinc/54/91/13/1131549113.db2.gz AYUIPPHUNVYRJI-KBPBESRZSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)c1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=S)n1Cc1ccco1 ZINC000740857749 1131549119 /nfs/dbraw/zinc/54/91/19/1131549119.db2.gz AYUIPPHUNVYRJI-KBPBESRZSA-N 1 2 334.489 3.867 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858485 1131549935 /nfs/dbraw/zinc/54/99/35/1131549935.db2.gz FNHGPHJDJHBDJX-KGLIPLIRSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858485 1131549939 /nfs/dbraw/zinc/54/99/39/1131549939.db2.gz FNHGPHJDJHBDJX-KGLIPLIRSA-N 1 2 328.485 3.968 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000741775314 1131645262 /nfs/dbraw/zinc/64/52/62/1131645262.db2.gz QGZPEECULHSSEO-KGLIPLIRSA-N 1 2 332.469 3.817 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000741775314 1131645265 /nfs/dbraw/zinc/64/52/65/1131645265.db2.gz QGZPEECULHSSEO-KGLIPLIRSA-N 1 2 332.469 3.817 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)n1 ZINC000741803653 1131652701 /nfs/dbraw/zinc/65/27/01/1131652701.db2.gz DCYBDLIIXVPLMR-UHFFFAOYSA-N 1 2 343.471 3.513 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000180222927 1131672146 /nfs/dbraw/zinc/67/21/46/1131672146.db2.gz IVYSTSITYSQPCU-QWRGUYRKSA-N 1 2 327.350 3.855 20 0 EHADLO CCc1nc2ccc(C(=O)Nc3cccc4[nH+]ccn43)cc2nc1CC ZINC000741969872 1131677268 /nfs/dbraw/zinc/67/72/68/1131677268.db2.gz PCEPXVDSELZYLQ-UHFFFAOYSA-N 1 2 345.406 3.655 20 0 EHADLO CC(C)(C)c1nn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)o1 ZINC000742165252 1131691657 /nfs/dbraw/zinc/69/16/57/1131691657.db2.gz JAKANBQRHZKQGI-CQSZACIVSA-N 1 2 339.505 3.884 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(=S)o1 ZINC000742165252 1131691658 /nfs/dbraw/zinc/69/16/58/1131691658.db2.gz JAKANBQRHZKQGI-CQSZACIVSA-N 1 2 339.505 3.884 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001143619429 1131698243 /nfs/dbraw/zinc/69/82/43/1131698243.db2.gz PMLOHXDNWGHRRL-GOSISDBHSA-N 1 2 340.414 3.573 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001143619429 1131698244 /nfs/dbraw/zinc/69/82/44/1131698244.db2.gz PMLOHXDNWGHRRL-GOSISDBHSA-N 1 2 340.414 3.573 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000742237797 1131699689 /nfs/dbraw/zinc/69/96/89/1131699689.db2.gz PPSVMJHKFUGEHA-UHFFFAOYSA-N 1 2 338.442 3.786 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000742237797 1131699691 /nfs/dbraw/zinc/69/96/91/1131699691.db2.gz PPSVMJHKFUGEHA-UHFFFAOYSA-N 1 2 338.442 3.786 20 0 EHADLO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000742598671 1131757917 /nfs/dbraw/zinc/75/79/17/1131757917.db2.gz FXJVBYUNSLWDQS-OWQGQXMQSA-N 1 2 348.487 3.697 20 0 EHADLO CCCCCC[C@@H](CCCC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172517542 1131766145 /nfs/dbraw/zinc/76/61/45/1131766145.db2.gz RXCMKDQDRGPMOF-CVEARBPZSA-N 1 2 342.524 3.691 20 0 EHADLO O=C1CCCCc2cc(Nc3ccc(C[NH+]4CC(O)C4)cc3)ccc21 ZINC001212671188 1131793516 /nfs/dbraw/zinc/79/35/16/1131793516.db2.gz GCEHPRAUGOUVIM-UHFFFAOYSA-N 1 2 336.435 3.516 20 0 EHADLO C/C(=C/C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000742858061 1131806914 /nfs/dbraw/zinc/80/69/14/1131806914.db2.gz JHRVTUUGUZPCBL-REZBVGGZSA-N 1 2 325.456 3.813 20 0 EHADLO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC2(F)F)CCN1C(=O)OC(C)(C)C ZINC001172624399 1131809619 /nfs/dbraw/zinc/80/96/19/1131809619.db2.gz XCDSZQWYJIKYFO-MGPQQGTHSA-N 1 2 332.435 3.942 20 0 EHADLO FC1(F)CN([C@@H]2Cc3ccc(Cl)cc3C2)CC[C@H]1[NH+]1CCCC1 ZINC001172721535 1131822920 /nfs/dbraw/zinc/82/29/20/1131822920.db2.gz COLFIIYDHIHMIY-IAGOWNOFSA-N 1 2 340.845 3.613 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC001172867902 1131862381 /nfs/dbraw/zinc/86/23/81/1131862381.db2.gz BGYSCXSUUZUBIE-CQSZACIVSA-N 1 2 336.838 3.821 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(Cc2ccco2)CC1 ZINC001172867902 1131862390 /nfs/dbraw/zinc/86/23/90/1131862390.db2.gz BGYSCXSUUZUBIE-CQSZACIVSA-N 1 2 336.838 3.821 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC001172851668 1131871470 /nfs/dbraw/zinc/87/14/70/1131871470.db2.gz RQZFTYDPIJWMDC-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCN(Cc2ccccn2)CC1 ZINC001172851668 1131871479 /nfs/dbraw/zinc/87/14/79/1131871479.db2.gz RQZFTYDPIJWMDC-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCc2ccccc2C1 ZINC000743346411 1131906003 /nfs/dbraw/zinc/90/60/03/1131906003.db2.gz TXHOVSXKNKYUEV-GOSISDBHSA-N 1 2 326.827 3.629 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCc2ccccc2C1 ZINC000743346411 1131906009 /nfs/dbraw/zinc/90/60/09/1131906009.db2.gz TXHOVSXKNKYUEV-GOSISDBHSA-N 1 2 326.827 3.629 20 0 EHADLO CC(C)[C@@H]1C[N@H+](CN2c3cccc4cccc(c34)C2=O)CCS1 ZINC000743394883 1131910238 /nfs/dbraw/zinc/91/02/38/1131910238.db2.gz DGGJLMGKRLCOLX-KRWDZBQOSA-N 1 2 326.465 3.831 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](CN2c3cccc4cccc(c34)C2=O)CCS1 ZINC000743394883 1131910243 /nfs/dbraw/zinc/91/02/43/1131910243.db2.gz DGGJLMGKRLCOLX-KRWDZBQOSA-N 1 2 326.465 3.831 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2ncc(C(=O)OCC)c2C(F)F)C1 ZINC000743404186 1131912815 /nfs/dbraw/zinc/91/28/15/1131912815.db2.gz LZXGYRMDWRMKJU-QGZVFWFLSA-N 1 2 343.418 3.857 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2ncc(C(=O)OCC)c2C(F)F)C1 ZINC000743404186 1131912823 /nfs/dbraw/zinc/91/28/23/1131912823.db2.gz LZXGYRMDWRMKJU-QGZVFWFLSA-N 1 2 343.418 3.857 20 0 EHADLO Brc1cccnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692416 1131919357 /nfs/dbraw/zinc/91/93/57/1131919357.db2.gz SCIADXXYIDBBKV-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO Cc1cc(C)c2c(Nc3ccc(Cn4cc[nH+]c4)cc3)nn(C)c2n1 ZINC001212694221 1131922993 /nfs/dbraw/zinc/92/29/93/1131922993.db2.gz PFWAECSWNFAEEE-UHFFFAOYSA-N 1 2 332.411 3.574 20 0 EHADLO Cc1cnn(C2CCOCC2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695201 1131925215 /nfs/dbraw/zinc/92/52/15/1131925215.db2.gz STETZBCOPBRMRP-UHFFFAOYSA-N 1 2 337.427 3.531 20 0 EHADLO COC(=O)c1cc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212700102 1131936170 /nfs/dbraw/zinc/93/61/70/1131936170.db2.gz TWRQFAYIFIDKNZ-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO CC(=O)c1cc2c(cc1Nc1ccc(Cn3cc[nH+]c3)cc1)OCO2 ZINC001212697551 1131937479 /nfs/dbraw/zinc/93/74/79/1131937479.db2.gz FPMXIEQAAQEKDN-UHFFFAOYSA-N 1 2 335.363 3.606 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083709 1131962493 /nfs/dbraw/zinc/96/24/93/1131962493.db2.gz VIEVBKFECNPJFP-DOMZBBRYSA-N 1 2 347.377 3.694 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)[nH]1 ZINC001212710105 1131981284 /nfs/dbraw/zinc/98/12/84/1131981284.db2.gz HEDPCWHZERYPFS-UHFFFAOYSA-N 1 2 345.284 3.936 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743849828 1131984667 /nfs/dbraw/zinc/98/46/67/1131984667.db2.gz IIPWXSFGWZYHLI-GFCCVEGCSA-N 1 2 335.391 3.918 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743849828 1131984671 /nfs/dbraw/zinc/98/46/71/1131984671.db2.gz IIPWXSFGWZYHLI-GFCCVEGCSA-N 1 2 335.391 3.918 20 0 EHADLO CCSC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001173314418 1132058858 /nfs/dbraw/zinc/05/88/58/1132058858.db2.gz INQYAYGZBMMIIP-PBHICJAKSA-N 1 2 335.513 3.897 20 0 EHADLO CCSC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001173314418 1132058862 /nfs/dbraw/zinc/05/88/62/1132058862.db2.gz INQYAYGZBMMIIP-PBHICJAKSA-N 1 2 335.513 3.897 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000744432787 1132097059 /nfs/dbraw/zinc/09/70/59/1132097059.db2.gz ZRQXXWTVKNMKDH-OAHLLOKOSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000744432787 1132097066 /nfs/dbraw/zinc/09/70/66/1132097066.db2.gz ZRQXXWTVKNMKDH-OAHLLOKOSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@@H]1CC[N@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000744437412 1132099581 /nfs/dbraw/zinc/09/95/81/1132099581.db2.gz SMODBKAFOZLXRY-AWEZNQCLSA-N 1 2 334.464 3.868 20 0 EHADLO CC(C)C[C@@H]1CC[N@@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000744437412 1132099589 /nfs/dbraw/zinc/09/95/89/1132099589.db2.gz SMODBKAFOZLXRY-AWEZNQCLSA-N 1 2 334.464 3.868 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174052538 1132208983 /nfs/dbraw/zinc/20/89/83/1132208983.db2.gz OUTGCTCDBSGDAU-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182147533 1132210539 /nfs/dbraw/zinc/21/05/39/1132210539.db2.gz OIYYXFMOPBSMCQ-MRXNPFEDSA-N 1 2 344.422 3.685 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC001174175370 1132268949 /nfs/dbraw/zinc/26/89/49/1132268949.db2.gz MFTBTVVOVGWXQF-UHFFFAOYSA-N 1 2 325.412 3.850 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000065535858 1132295356 /nfs/dbraw/zinc/29/53/56/1132295356.db2.gz QNNKEIFVNQEIQL-ZDUSSCGKSA-N 1 2 347.377 3.628 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000065535858 1132295362 /nfs/dbraw/zinc/29/53/62/1132295362.db2.gz QNNKEIFVNQEIQL-ZDUSSCGKSA-N 1 2 347.377 3.628 20 0 EHADLO COc1cc(Nc2ccc([NH+]3CCCCC3)cc2C)c(OC)nn1 ZINC001174355310 1132334170 /nfs/dbraw/zinc/33/41/70/1132334170.db2.gz ZTOXAZOICRUZNA-UHFFFAOYSA-N 1 2 328.416 3.536 20 0 EHADLO COCCOc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccn1 ZINC001174381501 1132343893 /nfs/dbraw/zinc/34/38/93/1132343893.db2.gz LWBJOXWQPISBOL-UHFFFAOYSA-N 1 2 326.400 3.781 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cccc(C(=O)N(C)C)c3O)ccc21 ZINC001174384022 1132344702 /nfs/dbraw/zinc/34/47/02/1132344702.db2.gz CTMWNRNYZGBJPJ-UHFFFAOYSA-N 1 2 338.411 3.768 20 0 EHADLO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1sc2ccccc2c1=O ZINC000746037693 1132349445 /nfs/dbraw/zinc/34/94/45/1132349445.db2.gz IOZCOSWFUHUQGL-UHFFFAOYSA-N 1 2 342.464 3.941 20 0 EHADLO CCC[N@H+](Cc1ccc(OC)cc1)Cn1sc2ccccc2c1=O ZINC000746037693 1132349452 /nfs/dbraw/zinc/34/94/52/1132349452.db2.gz IOZCOSWFUHUQGL-UHFFFAOYSA-N 1 2 342.464 3.941 20 0 EHADLO Clc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cs1 ZINC001174432205 1132353028 /nfs/dbraw/zinc/35/30/28/1132353028.db2.gz OYSCCSBJHWUVFQ-UHFFFAOYSA-N 1 2 338.860 3.856 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000746061464 1132354811 /nfs/dbraw/zinc/35/48/11/1132354811.db2.gz AXNGBWZKXDFDBU-UHFFFAOYSA-N 1 2 333.505 3.680 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000746061464 1132354818 /nfs/dbraw/zinc/35/48/18/1132354818.db2.gz AXNGBWZKXDFDBU-UHFFFAOYSA-N 1 2 333.505 3.680 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccc4c(c3)[nH+]cn4C)cn2)cc1 ZINC001174437551 1132355563 /nfs/dbraw/zinc/35/55/63/1132355563.db2.gz PMPBXMGZKPWDRR-UHFFFAOYSA-N 1 2 333.395 3.570 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)c1 ZINC000183380279 1132361821 /nfs/dbraw/zinc/36/18/21/1132361821.db2.gz CEHLTSIIUUMZFA-CQSZACIVSA-N 1 2 345.399 3.591 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)c1 ZINC000183380279 1132361829 /nfs/dbraw/zinc/36/18/29/1132361829.db2.gz CEHLTSIIUUMZFA-CQSZACIVSA-N 1 2 345.399 3.591 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183389050 1132364352 /nfs/dbraw/zinc/36/43/52/1132364352.db2.gz VHJLMCRUMVZWTA-BBRMVZONSA-N 1 2 333.407 3.766 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183389050 1132364360 /nfs/dbraw/zinc/36/43/60/1132364360.db2.gz VHJLMCRUMVZWTA-BBRMVZONSA-N 1 2 333.407 3.766 20 0 EHADLO Ic1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174411304 1132366115 /nfs/dbraw/zinc/36/61/15/1132366115.db2.gz UFUZNIAPKIAUGN-UHFFFAOYSA-N 1 2 335.148 3.863 20 0 EHADLO O=C(Nc1cccnc1)c1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174413377 1132367729 /nfs/dbraw/zinc/36/77/29/1132367729.db2.gz KTVOCAKYICOAJE-UHFFFAOYSA-N 1 2 329.363 3.905 20 0 EHADLO Cc1cc(F)cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001174528586 1132383928 /nfs/dbraw/zinc/38/39/28/1132383928.db2.gz PFNVLFSWALNWSW-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cn2nc(C3CC3)nc12 ZINC001174522480 1132398880 /nfs/dbraw/zinc/39/88/80/1132398880.db2.gz NSDVCLWSFUDQCE-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1OC ZINC001174524405 1132400968 /nfs/dbraw/zinc/40/09/68/1132400968.db2.gz KDNFKWSRCZCNDJ-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)cc1F ZINC001174525022 1132401157 /nfs/dbraw/zinc/40/11/57/1132401157.db2.gz WRUHOGYSFGLNCW-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO COCCCN(c1ccc(N2CCCCC2)[nH+]c1)c1ccccc1N ZINC001174525164 1132401403 /nfs/dbraw/zinc/40/14/03/1132401403.db2.gz RISTZPANUOUBJW-UHFFFAOYSA-N 1 2 340.471 3.829 20 0 EHADLO Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1C ZINC001174636370 1132421734 /nfs/dbraw/zinc/42/17/34/1132421734.db2.gz USVUUXXBZSJQLU-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO CCc1c(C)cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1C ZINC001174679856 1132435176 /nfs/dbraw/zinc/43/51/76/1132435176.db2.gz VRRQLJIRBCHZGQ-UHFFFAOYSA-N 1 2 325.456 3.966 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000188571606 1132436440 /nfs/dbraw/zinc/43/64/40/1132436440.db2.gz BJDFOSCIRQAJOJ-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000188571606 1132436443 /nfs/dbraw/zinc/43/64/43/1132436443.db2.gz BJDFOSCIRQAJOJ-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000188931005 1132439616 /nfs/dbraw/zinc/43/96/16/1132439616.db2.gz MWIVVFCIHFZYSS-UHFFFAOYSA-N 1 2 325.456 3.522 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000188931005 1132439621 /nfs/dbraw/zinc/43/96/21/1132439621.db2.gz MWIVVFCIHFZYSS-UHFFFAOYSA-N 1 2 325.456 3.522 20 0 EHADLO CC(C)(NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000193005215 1132477465 /nfs/dbraw/zinc/47/74/65/1132477465.db2.gz OYKDTIUHKMYWDO-UHFFFAOYSA-N 1 2 326.227 3.701 20 0 EHADLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000193005215 1132477471 /nfs/dbraw/zinc/47/74/71/1132477471.db2.gz OYKDTIUHKMYWDO-UHFFFAOYSA-N 1 2 326.227 3.701 20 0 EHADLO Cc1ccc(-c2nc(NC(=O)CCc3c[nH]c[nH+]3)sc2C)s1 ZINC000193157416 1132479531 /nfs/dbraw/zinc/47/95/31/1132479531.db2.gz JDDLZVPXPBXSLH-UHFFFAOYSA-N 1 2 332.454 3.783 20 0 EHADLO Cc1ccc(-c2nc(NC(=O)CCc3c[nH+]c[nH]3)sc2C)s1 ZINC000193157416 1132479534 /nfs/dbraw/zinc/47/95/34/1132479534.db2.gz JDDLZVPXPBXSLH-UHFFFAOYSA-N 1 2 332.454 3.783 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193415322 1132480929 /nfs/dbraw/zinc/48/09/29/1132480929.db2.gz FPKAGONPMSRKTG-KRWDZBQOSA-N 1 2 329.444 3.645 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193415322 1132480934 /nfs/dbraw/zinc/48/09/34/1132480934.db2.gz FPKAGONPMSRKTG-KRWDZBQOSA-N 1 2 329.444 3.645 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000193720998 1132483321 /nfs/dbraw/zinc/48/33/21/1132483321.db2.gz PMJCKJUMZMAJSC-UHFFFAOYSA-N 1 2 333.382 3.596 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000193720998 1132483328 /nfs/dbraw/zinc/48/33/28/1132483328.db2.gz PMJCKJUMZMAJSC-UHFFFAOYSA-N 1 2 333.382 3.596 20 0 EHADLO CN(C)c1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001174877260 1132492983 /nfs/dbraw/zinc/49/29/83/1132492983.db2.gz ROCZSBMIYAMKLT-UHFFFAOYSA-N 1 2 331.217 3.906 20 0 EHADLO CCOc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1Cl ZINC001212578450 1132503368 /nfs/dbraw/zinc/50/33/68/1132503368.db2.gz ZAGOLLLHGJXWKC-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)nc1 ZINC001174976455 1132510033 /nfs/dbraw/zinc/51/00/33/1132510033.db2.gz UOBBRNLBJOHISY-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(OC2CCCC2)c1 ZINC001174976567 1132510591 /nfs/dbraw/zinc/51/05/91/1132510591.db2.gz WZINHLARKRNYIK-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@H](C)[C@H](C)C3)c(=S)n2C)c1 ZINC000766379255 1132522588 /nfs/dbraw/zinc/52/25/88/1132522588.db2.gz CBAYPKWDRDCXNT-LSDHHAIUSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@H](C)[C@H](C)C3)c(=S)n2C)c1 ZINC000766379255 1132522595 /nfs/dbraw/zinc/52/25/95/1132522595.db2.gz CBAYPKWDRDCXNT-LSDHHAIUSA-N 1 2 330.501 3.862 20 0 EHADLO COc1cccc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766401924 1132530370 /nfs/dbraw/zinc/53/03/70/1132530370.db2.gz KQCTZNAMYPQYIZ-LBPRGKRZSA-N 1 2 325.416 3.763 20 0 EHADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)[C@H]2CCCC[C@@H]12 ZINC000766421564 1132535502 /nfs/dbraw/zinc/53/55/02/1132535502.db2.gz KGZBOSLSVTZEKG-YCPHGPKFSA-N 1 2 327.476 3.986 20 0 EHADLO Cn1cc([C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C(C)(C)C)cn1 ZINC000766423584 1132536713 /nfs/dbraw/zinc/53/67/13/1132536713.db2.gz WUOLXDHBCYQOEX-CQSZACIVSA-N 1 2 341.463 3.514 20 0 EHADLO Cc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)ccc1[NH+](C)C ZINC001168900053 1132592459 /nfs/dbraw/zinc/59/24/59/1132592459.db2.gz UJXQPDCVOCADKN-LJQANCHMSA-N 1 2 337.467 3.778 20 0 EHADLO Cc1nc(Nc2ccc(CC(C)C)cc2)cc(N2CCOCC2)[nH+]1 ZINC001175294976 1132616515 /nfs/dbraw/zinc/61/65/15/1132616515.db2.gz OTIPBXMYMXXJER-UHFFFAOYSA-N 1 2 326.444 3.564 20 0 EHADLO COC(=O)c1c(Nc2ccc(N(C)C)[nH+]c2)scc1C(F)(F)F ZINC001175341537 1132626062 /nfs/dbraw/zinc/62/60/62/1132626062.db2.gz KTIGLSYSZDHECT-UHFFFAOYSA-N 1 2 345.346 3.758 20 0 EHADLO CN(C)c1ccc(Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c[nH+]1 ZINC001175341739 1132626681 /nfs/dbraw/zinc/62/66/81/1132626681.db2.gz JJGCLHXKCCRKEJ-UHFFFAOYSA-N 1 2 342.443 3.916 20 0 EHADLO CN(C)c1ccc(Nc2c(F)ccc(Br)c2F)c[nH+]1 ZINC001175344006 1132628129 /nfs/dbraw/zinc/62/81/29/1132628129.db2.gz MUJBRHJFUCMCQP-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO Cc1nc2c(ccn2C)c(NCc2ccsc2Br)[nH+]1 ZINC001169057065 1132645535 /nfs/dbraw/zinc/64/55/35/1132645535.db2.gz STLZAYQWFNTRQP-UHFFFAOYSA-N 1 2 337.246 3.713 20 0 EHADLO Brc1sccc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001169057581 1132645963 /nfs/dbraw/zinc/64/59/63/1132645963.db2.gz QZVCZOJASIWQTL-UHFFFAOYSA-N 1 2 349.257 3.763 20 0 EHADLO Fc1ccc2c[nH+]c(NCc3cc(F)cc4c3OCOC4)cc2c1 ZINC001169094518 1132653632 /nfs/dbraw/zinc/65/36/32/1132653632.db2.gz JHDZJAUJMVYOGL-UHFFFAOYSA-N 1 2 328.318 3.992 20 0 EHADLO C/C(=C/C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1cccc(F)c1 ZINC001169157844 1132681675 /nfs/dbraw/zinc/68/16/75/1132681675.db2.gz AMZNYKPTWZVGEH-VBKFSLOCSA-N 1 2 349.409 3.909 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC001175512434 1132696134 /nfs/dbraw/zinc/69/61/34/1132696134.db2.gz KXSHQLDMCKSKGP-IXDOHACOSA-N 1 2 343.389 3.950 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC001175512434 1132696136 /nfs/dbraw/zinc/69/61/36/1132696136.db2.gz KXSHQLDMCKSKGP-IXDOHACOSA-N 1 2 343.389 3.950 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC001169292317 1132718413 /nfs/dbraw/zinc/71/84/13/1132718413.db2.gz IHNBYFMJPZMBIU-GOSISDBHSA-N 1 2 327.399 3.703 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC001169292317 1132718415 /nfs/dbraw/zinc/71/84/15/1132718415.db2.gz IHNBYFMJPZMBIU-GOSISDBHSA-N 1 2 327.399 3.703 20 0 EHADLO CSc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cn1 ZINC001175653728 1132720662 /nfs/dbraw/zinc/72/06/62/1132720662.db2.gz HUXHISBLSURMAP-UHFFFAOYSA-N 1 2 335.230 3.957 20 0 EHADLO NC(=O)c1ccc(CC[NH2+][C@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001175661723 1132732939 /nfs/dbraw/zinc/73/29/39/1132732939.db2.gz RXIZFIBGQFKJOO-OAHLLOKOSA-N 1 2 338.785 3.577 20 0 EHADLO COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H]3C[C@H](C)c4ccccc43)c12 ZINC001169373884 1132736410 /nfs/dbraw/zinc/73/64/10/1132736410.db2.gz LBLWLFLJTYYENL-YVEFUNNKSA-N 1 2 335.407 3.939 20 0 EHADLO CCOC(=O)c1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713542 1132740000 /nfs/dbraw/zinc/74/00/00/1132740000.db2.gz CYSTTZFSAVWOGR-UHFFFAOYSA-N 1 2 325.290 3.603 20 0 EHADLO COc1cnc2c(cccc2Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715087 1132741369 /nfs/dbraw/zinc/74/13/69/1132741369.db2.gz JWKDOHKNTVSPGK-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO COc1cc(OC)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175717783 1132743196 /nfs/dbraw/zinc/74/31/96/1132743196.db2.gz PCVQMDITWZBOQS-UHFFFAOYSA-N 1 2 331.269 3.583 20 0 EHADLO C[C@H]1CCc2c(C(=O)NCCCN(C)c3cccc[nH+]3)csc2C1 ZINC001175708693 1132754774 /nfs/dbraw/zinc/75/47/74/1132754774.db2.gz ULKATTOQHUVJHL-AWEZNQCLSA-N 1 2 343.496 3.524 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc(Br)n1 ZINC001175706719 1132755052 /nfs/dbraw/zinc/75/50/52/1132755052.db2.gz QSJIJPNYPHCICQ-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COc1cccc2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)cnc21 ZINC001175711515 1132755196 /nfs/dbraw/zinc/75/51/96/1132755196.db2.gz ZGCPKJHNWVJQAP-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO COc1ccc(-n2nccc2Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175710684 1132755574 /nfs/dbraw/zinc/75/55/74/1132755574.db2.gz JAHQNYAWXRQTBL-UHFFFAOYSA-N 1 2 349.316 3.621 20 0 EHADLO COCCCCC[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000103227719 1132756007 /nfs/dbraw/zinc/75/60/07/1132756007.db2.gz JDDUKAIMUHJOCU-INIZCTEOSA-N 1 2 342.277 3.639 20 0 EHADLO COCCCCC[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000103227719 1132756011 /nfs/dbraw/zinc/75/60/11/1132756011.db2.gz JDDUKAIMUHJOCU-INIZCTEOSA-N 1 2 342.277 3.639 20 0 EHADLO CCCn1nc(C)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001175797955 1132756527 /nfs/dbraw/zinc/75/65/27/1132756527.db2.gz AESYUYLXIUBBLL-UHFFFAOYSA-N 1 2 334.221 3.755 20 0 EHADLO COc1cc(F)c(C(C)C)cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001175831566 1132770559 /nfs/dbraw/zinc/77/05/59/1132770559.db2.gz XHPSFJCDHVJFPJ-AWEZNQCLSA-N 1 2 345.418 3.667 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507817 1132774028 /nfs/dbraw/zinc/77/40/28/1132774028.db2.gz SGZUIBNKEQBYNO-QZTJIDSGSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507817 1132774031 /nfs/dbraw/zinc/77/40/31/1132774031.db2.gz SGZUIBNKEQBYNO-QZTJIDSGSA-N 1 2 325.399 3.543 20 0 EHADLO CCOC(=O)C1(CNc2cc(C)[nH+]c(-c3ccccc3)n2)CCC1 ZINC001169553699 1132784739 /nfs/dbraw/zinc/78/47/39/1132784739.db2.gz WGBQWRDVMHFPDO-UHFFFAOYSA-N 1 2 325.412 3.597 20 0 EHADLO Brc1ccc2[nH+]ccc(Nc3cnn(C4CC4)c3)c2c1 ZINC001175957650 1132801054 /nfs/dbraw/zinc/80/10/54/1132801054.db2.gz WDZVBCRDDPWLLP-UHFFFAOYSA-N 1 2 329.201 3.694 20 0 EHADLO CSc1ccc(OCC[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001169714509 1132832019 /nfs/dbraw/zinc/83/20/19/1132832019.db2.gz BLDWJJBNKXGMGP-UHFFFAOYSA-N 1 2 333.428 3.821 20 0 EHADLO CSc1ccc(OCC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001169714509 1132832027 /nfs/dbraw/zinc/83/20/27/1132832027.db2.gz BLDWJJBNKXGMGP-UHFFFAOYSA-N 1 2 333.428 3.821 20 0 EHADLO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@H](CCO)c1ccccc1 ZINC000766791940 1132832080 /nfs/dbraw/zinc/83/20/80/1132832080.db2.gz YSZLSOCVHRUXPL-OAHLLOKOSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1nc(Cl)ccc1Cl)[C@H](CCO)c1ccccc1 ZINC000766791940 1132832087 /nfs/dbraw/zinc/83/20/87/1132832087.db2.gz YSZLSOCVHRUXPL-OAHLLOKOSA-N 1 2 325.239 3.944 20 0 EHADLO CN(C)c1cc(CSCc2ccc(C(F)(F)F)cn2)cc[nH+]1 ZINC000766819195 1132846831 /nfs/dbraw/zinc/84/68/31/1132846831.db2.gz AMWAXCKFQGUOPS-UHFFFAOYSA-N 1 2 327.375 3.995 20 0 EHADLO COC(=O)c1ccc(C(F)(F)F)cc1Nc1c[nH+]ccc1OC ZINC001176121054 1132853027 /nfs/dbraw/zinc/85/30/27/1132853027.db2.gz FPYALXBYDXCYNS-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nc(-c3cccc(F)c3)nn2c1 ZINC001176121083 1132853231 /nfs/dbraw/zinc/85/32/31/1132853231.db2.gz GNXVVEVJTRSQRW-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(C(=O)NCc2ccco2)ccc1C ZINC001176124479 1132853391 /nfs/dbraw/zinc/85/33/91/1132853391.db2.gz PXILRYLMPYCYJA-UHFFFAOYSA-N 1 2 337.379 3.665 20 0 EHADLO COC(=O)c1cc(Nc2c[nH+]ccc2OC)cc(C(F)(F)F)c1 ZINC001176123963 1132853531 /nfs/dbraw/zinc/85/35/31/1132853531.db2.gz ZYUSFZYBOVNYSM-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(OC)c(F)cc1Br ZINC001176124006 1132853712 /nfs/dbraw/zinc/85/37/12/1132853712.db2.gz MJMAVHZFKZAKLZ-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC001176152231 1132864846 /nfs/dbraw/zinc/86/48/46/1132864846.db2.gz WIZIYCXYKCMNNC-UHFFFAOYSA-N 1 2 340.814 3.971 20 0 EHADLO CCN(C)c1ccc(Nc2cc(C(=O)N3CCCC3)ccc2F)c[nH+]1 ZINC001176212542 1132876274 /nfs/dbraw/zinc/87/62/74/1132876274.db2.gz MQVPXXANUKJGBG-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO COc1cccc2[nH+]c(NCc3cccnc3N3CCCC3)ccc21 ZINC001169857337 1132877441 /nfs/dbraw/zinc/87/74/41/1132877441.db2.gz QAJCUWGOMXIKJE-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cccc(Br)c1Cl ZINC001176440702 1132929604 /nfs/dbraw/zinc/92/96/04/1132929604.db2.gz FCYLMSNPTBWUJT-UHFFFAOYSA-N 1 2 341.636 3.835 20 0 EHADLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cccc(Br)c1Cl ZINC001176440702 1132929605 /nfs/dbraw/zinc/92/96/05/1132929605.db2.gz FCYLMSNPTBWUJT-UHFFFAOYSA-N 1 2 341.636 3.835 20 0 EHADLO COc1ccc(O)cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001176571941 1132969590 /nfs/dbraw/zinc/96/95/90/1132969590.db2.gz QLDPMULQWKTKKS-UHFFFAOYSA-N 1 2 331.372 3.886 20 0 EHADLO Fc1nc(F)c(Cl)c(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001176744375 1132990865 /nfs/dbraw/zinc/99/08/65/1132990865.db2.gz VQSDSGBDGKDSCT-UHFFFAOYSA-N 1 2 328.725 3.891 20 0 EHADLO c1cc(Nc2cccc(Cn3cc[nH+]c3)c2)n(Cc2ccccc2)n1 ZINC001176706167 1132994578 /nfs/dbraw/zinc/99/45/78/1132994578.db2.gz ZFLPYTPFJNURHY-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2C(C)C)CCO1 ZINC001176820154 1133003478 /nfs/dbraw/zinc/00/34/78/1133003478.db2.gz UXGJFVYGFGNRNM-IBGZPJMESA-N 1 2 333.472 3.697 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2C(C)C)CCO1 ZINC001176820154 1133003484 /nfs/dbraw/zinc/00/34/84/1133003484.db2.gz UXGJFVYGFGNRNM-IBGZPJMESA-N 1 2 333.472 3.697 20 0 EHADLO Cc1ccc(NCCCc2ccccc2)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001176833480 1133004118 /nfs/dbraw/zinc/00/41/18/1133004118.db2.gz MHKQALBROZGTJQ-UHFFFAOYSA-N 1 2 348.450 3.944 20 0 EHADLO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1cc[nH+]c1 ZINC001176883073 1133007419 /nfs/dbraw/zinc/00/74/19/1133007419.db2.gz CNBXAQQQFFQIBF-QGZVFWFLSA-N 1 2 338.455 3.672 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)cc1OC ZINC001176946713 1133015671 /nfs/dbraw/zinc/01/56/71/1133015671.db2.gz RSOBFGPPSRKBLC-HXUWFJFHSA-N 1 2 345.414 3.747 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)cc1OC ZINC001176946713 1133015675 /nfs/dbraw/zinc/01/56/75/1133015675.db2.gz RSOBFGPPSRKBLC-HXUWFJFHSA-N 1 2 345.414 3.747 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958309 1133016437 /nfs/dbraw/zinc/01/64/37/1133016437.db2.gz UECSCHALRUQMFS-INIZCTEOSA-N 1 2 336.439 3.599 20 0 EHADLO O=C(Nc1ccccc1-c1cnco1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966623 1133017243 /nfs/dbraw/zinc/01/72/43/1133017243.db2.gz ALPGFEGGESBKOO-OAHLLOKOSA-N 1 2 348.406 3.592 20 0 EHADLO O=C(NCc1cccc(C(F)F)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971416 1133017905 /nfs/dbraw/zinc/01/79/05/1133017905.db2.gz VBXILJWFFLFNNL-MRXNPFEDSA-N 1 2 345.393 3.552 20 0 EHADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c(Br)c1 ZINC000767583221 1133018807 /nfs/dbraw/zinc/01/88/07/1133018807.db2.gz KRFCCBCMOIEIQV-UHFFFAOYSA-N 1 2 349.228 3.576 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCCC[C@]23CCCOC3)no1 ZINC001177008148 1133021944 /nfs/dbraw/zinc/02/19/44/1133021944.db2.gz HPULBGKOHCXEPG-LJQANCHMSA-N 1 2 327.428 3.580 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCCC[C@]23CCCOC3)no1 ZINC001177008148 1133021947 /nfs/dbraw/zinc/02/19/47/1133021947.db2.gz HPULBGKOHCXEPG-LJQANCHMSA-N 1 2 327.428 3.580 20 0 EHADLO Cc1cccn2cc(C[N@H+]3CC=C(c4ccc(Cl)nc4)CC3)nc12 ZINC000773665382 1133061578 /nfs/dbraw/zinc/06/15/78/1133061578.db2.gz KHNNRJRWSYNGFR-UHFFFAOYSA-N 1 2 338.842 3.980 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)nc12 ZINC000773665382 1133061584 /nfs/dbraw/zinc/06/15/84/1133061584.db2.gz KHNNRJRWSYNGFR-UHFFFAOYSA-N 1 2 338.842 3.980 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cn1ccc(Br)n1 ZINC000767964977 1133078564 /nfs/dbraw/zinc/07/85/64/1133078564.db2.gz KCNFPSCZWWZJNL-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cn1ccc(Br)n1 ZINC000767964977 1133078570 /nfs/dbraw/zinc/07/85/70/1133078570.db2.gz KCNFPSCZWWZJNL-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616681 1133087763 /nfs/dbraw/zinc/08/77/63/1133087763.db2.gz SEFWMDDKAMJSJP-GOSISDBHSA-N 1 2 325.412 3.545 20 0 EHADLO O=C(Nc1ccc(C2CCC2)nc1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616681 1133087768 /nfs/dbraw/zinc/08/77/68/1133087768.db2.gz SEFWMDDKAMJSJP-GOSISDBHSA-N 1 2 325.412 3.545 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768160500 1133103143 /nfs/dbraw/zinc/10/31/43/1133103143.db2.gz QFQFCYFCIUKCSC-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768160500 1133103145 /nfs/dbraw/zinc/10/31/45/1133103145.db2.gz QFQFCYFCIUKCSC-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C1CC1 ZINC000768181111 1133108348 /nfs/dbraw/zinc/10/83/48/1133108348.db2.gz VWVUTECZUUZYDG-UHFFFAOYSA-N 1 2 347.418 3.688 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(F)cccc2F)C1 ZINC001204206142 1133109509 /nfs/dbraw/zinc/10/95/09/1133109509.db2.gz RPXNGGHYFYXDTK-OLZOCXBDSA-N 1 2 340.414 3.700 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204206142 1133109512 /nfs/dbraw/zinc/10/95/12/1133109512.db2.gz RPXNGGHYFYXDTK-OLZOCXBDSA-N 1 2 340.414 3.700 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC001178589606 1133179765 /nfs/dbraw/zinc/17/97/65/1133179765.db2.gz NIVXGGREZSYIRY-ZDUSSCGKSA-N 1 2 328.243 3.687 20 0 EHADLO Cc1c(O)ccc2c(C[N@@H+]3CCc4cc(F)ccc4C3)cc(=O)oc12 ZINC000768827451 1133189460 /nfs/dbraw/zinc/18/94/60/1133189460.db2.gz UATFLYRACSGNLG-UHFFFAOYSA-N 1 2 339.366 3.504 20 0 EHADLO Cc1c(O)ccc2c(C[N@H+]3CCc4cc(F)ccc4C3)cc(=O)oc12 ZINC000768827451 1133189462 /nfs/dbraw/zinc/18/94/62/1133189462.db2.gz UATFLYRACSGNLG-UHFFFAOYSA-N 1 2 339.366 3.504 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768910470 1133201633 /nfs/dbraw/zinc/20/16/33/1133201633.db2.gz MZOHKXUCFFMPIE-AWEZNQCLSA-N 1 2 334.410 3.504 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768910470 1133201639 /nfs/dbraw/zinc/20/16/39/1133201639.db2.gz MZOHKXUCFFMPIE-AWEZNQCLSA-N 1 2 334.410 3.504 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000768930554 1133206242 /nfs/dbraw/zinc/20/62/42/1133206242.db2.gz XELWEHIJCWZYGF-DHZHZOJOSA-N 1 2 325.456 3.743 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922536 1133213603 /nfs/dbraw/zinc/21/36/03/1133213603.db2.gz OKJRRKRLMYCDNR-UHFFFAOYSA-N 1 2 337.467 3.805 20 0 EHADLO CC(C)(CCC(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1 ZINC001178922774 1133214078 /nfs/dbraw/zinc/21/40/78/1133214078.db2.gz XZJZPVVZPNVYBL-UHFFFAOYSA-N 1 2 325.456 3.663 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 ZINC000768996730 1133218121 /nfs/dbraw/zinc/21/81/21/1133218121.db2.gz PVVGMUYPFDEWNH-HKUYNNGSSA-N 1 2 337.398 3.531 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2ccc(OC(F)F)c(Cl)c2)[nH+]1 ZINC001179096554 1133228457 /nfs/dbraw/zinc/22/84/57/1133228457.db2.gz WOBKZLGNQUYYTE-UHFFFAOYSA-N 1 2 343.761 3.718 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2ccc(OC(F)F)c(Cl)c2)c[nH+]1 ZINC001179096554 1133228463 /nfs/dbraw/zinc/22/84/63/1133228463.db2.gz WOBKZLGNQUYYTE-UHFFFAOYSA-N 1 2 343.761 3.718 20 0 EHADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)s1 ZINC001179092640 1133228556 /nfs/dbraw/zinc/22/85/56/1133228556.db2.gz UEZGTGUSRFZZFC-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)s1 ZINC001179092640 1133228560 /nfs/dbraw/zinc/22/85/60/1133228560.db2.gz UEZGTGUSRFZZFC-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000769388462 1133274707 /nfs/dbraw/zinc/27/47/07/1133274707.db2.gz AGVMJEJANPJAIK-GQIGUUNPSA-N 1 2 339.435 3.824 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000769388462 1133274709 /nfs/dbraw/zinc/27/47/09/1133274709.db2.gz AGVMJEJANPJAIK-GQIGUUNPSA-N 1 2 339.435 3.824 20 0 EHADLO CC(C)c1ccc(CC[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000769452960 1133293921 /nfs/dbraw/zinc/29/39/21/1133293921.db2.gz DUJURAARLMSWPN-SFHVURJKSA-N 1 2 341.455 3.686 20 0 EHADLO CC(C)c1ccc(CC[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000769452960 1133293924 /nfs/dbraw/zinc/29/39/24/1133293924.db2.gz DUJURAARLMSWPN-SFHVURJKSA-N 1 2 341.455 3.686 20 0 EHADLO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1F ZINC000769461827 1133295393 /nfs/dbraw/zinc/29/53/93/1133295393.db2.gz XMGGNTQJUJWRNS-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO Cc1sc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1Br ZINC001179869301 1133296829 /nfs/dbraw/zinc/29/68/29/1133296829.db2.gz RCCMVOQNKLCUQJ-CYBMUJFWSA-N 1 2 346.290 3.546 20 0 EHADLO Cc1sc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1Br ZINC001179869301 1133296834 /nfs/dbraw/zinc/29/68/34/1133296834.db2.gz RCCMVOQNKLCUQJ-CYBMUJFWSA-N 1 2 346.290 3.546 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cccc(OC)c3o2)CC[S@@]1=O ZINC000769556437 1133314332 /nfs/dbraw/zinc/31/43/32/1133314332.db2.gz LHUGEIGVJGFCSX-QHCPKHFHSA-N 1 2 335.469 3.565 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[S@@]1=O ZINC000769556437 1133314335 /nfs/dbraw/zinc/31/43/35/1133314335.db2.gz LHUGEIGVJGFCSX-QHCPKHFHSA-N 1 2 335.469 3.565 20 0 EHADLO CC(C)(C)OC(=O)N1CC([N@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000769695374 1133331086 /nfs/dbraw/zinc/33/10/86/1133331086.db2.gz FBILVGCPMVAGHT-UHFFFAOYSA-N 1 2 332.419 3.534 20 0 EHADLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000769695374 1133331090 /nfs/dbraw/zinc/33/10/90/1133331090.db2.gz FBILVGCPMVAGHT-UHFFFAOYSA-N 1 2 332.419 3.534 20 0 EHADLO CCc1ccc(O)c(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1 ZINC000769717728 1133334277 /nfs/dbraw/zinc/33/42/77/1133334277.db2.gz YZELBQZRTQSMHQ-UHFFFAOYSA-N 1 2 333.457 3.505 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC001180215986 1133345472 /nfs/dbraw/zinc/34/54/72/1133345472.db2.gz YVBMCNWZEJQZTL-NRFANRHFSA-N 1 2 349.434 3.741 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180195691 1133347559 /nfs/dbraw/zinc/34/75/59/1133347559.db2.gz ZQEILOLHUNZJKR-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180195691 1133347563 /nfs/dbraw/zinc/34/75/63/1133347563.db2.gz ZQEILOLHUNZJKR-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001180301378 1133353475 /nfs/dbraw/zinc/35/34/75/1133353475.db2.gz MQLVJKFOLHHELR-DZGCQCFKSA-N 1 2 349.381 3.651 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C)c1F ZINC001180558468 1133391022 /nfs/dbraw/zinc/39/10/22/1133391022.db2.gz OGGRQLMKHBPBQR-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C)c1F ZINC001180558468 1133391029 /nfs/dbraw/zinc/39/10/29/1133391029.db2.gz OGGRQLMKHBPBQR-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC001180547266 1133391091 /nfs/dbraw/zinc/39/10/91/1133391091.db2.gz ZZJRWGXKIZMWRZ-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(c2cccc(F)c2F)CC1 ZINC000770146612 1133393547 /nfs/dbraw/zinc/39/35/47/1133393547.db2.gz POOZNTFPANRMIN-UHFFFAOYSA-N 1 2 341.361 3.632 20 0 EHADLO Cc1c(Cl)cc(NC(=O)C[N@@H+](C)C2CCCC2)c(O)c1Cl ZINC001180629386 1133400545 /nfs/dbraw/zinc/40/05/45/1133400545.db2.gz KMKZAMSAHIMKSQ-UHFFFAOYSA-N 1 2 331.243 3.820 20 0 EHADLO Cc1c(Cl)cc(NC(=O)C[N@H+](C)C2CCCC2)c(O)c1Cl ZINC001180629386 1133400548 /nfs/dbraw/zinc/40/05/48/1133400548.db2.gz KMKZAMSAHIMKSQ-UHFFFAOYSA-N 1 2 331.243 3.820 20 0 EHADLO CN(CC1C[NH+](Cc2ccc(F)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC001204279876 1133415291 /nfs/dbraw/zinc/41/52/91/1133415291.db2.gz DRQCNLGECGYJJP-UHFFFAOYSA-N 1 2 342.842 3.778 20 0 EHADLO O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cc[nH+]c2c1CCC2 ZINC001180912962 1133427731 /nfs/dbraw/zinc/42/77/31/1133427731.db2.gz ZGFFELGWJPPYNS-UHFFFAOYSA-N 1 2 334.341 3.582 20 0 EHADLO O=C1OCC[C@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)CCN12 ZINC000770388486 1133428642 /nfs/dbraw/zinc/42/86/42/1133428642.db2.gz BJGKUZMHUADKND-AWEZNQCLSA-N 1 2 346.427 3.581 20 0 EHADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)CCN12 ZINC000770388486 1133428645 /nfs/dbraw/zinc/42/86/45/1133428645.db2.gz BJGKUZMHUADKND-AWEZNQCLSA-N 1 2 346.427 3.581 20 0 EHADLO CC(=O)CCCCCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000770873732 1133482259 /nfs/dbraw/zinc/48/22/59/1133482259.db2.gz BKFKPFCCNHPEBL-UHFFFAOYSA-N 1 2 340.427 3.699 20 0 EHADLO O=C(COc1ccc2ccccc2c1)OCc1cccc2[nH+]ccn21 ZINC000770922625 1133485006 /nfs/dbraw/zinc/48/50/06/1133485006.db2.gz OIXBNNANGWWZBK-UHFFFAOYSA-N 1 2 332.359 3.610 20 0 EHADLO CNc1ccccc1C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001181436244 1133492236 /nfs/dbraw/zinc/49/22/36/1133492236.db2.gz NRXGANBGRUIQDV-ZDUSSCGKSA-N 1 2 338.411 3.638 20 0 EHADLO Cc1nc(NC2CC2)sc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000771003168 1133496950 /nfs/dbraw/zinc/49/69/50/1133496950.db2.gz BKCJMNUPUABGQO-UHFFFAOYSA-N 1 2 339.424 3.668 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCSC[C@@H]2C2CC2)c2n1CCCC2 ZINC001181901132 1133548812 /nfs/dbraw/zinc/54/88/12/1133548812.db2.gz PZOYBOOYILQNRQ-CQSZACIVSA-N 1 2 345.434 3.566 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCSC[C@@H]2C2CC2)c2n1CCCC2 ZINC001181901132 1133548817 /nfs/dbraw/zinc/54/88/17/1133548817.db2.gz PZOYBOOYILQNRQ-CQSZACIVSA-N 1 2 345.434 3.566 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NCc1ncccc1C)c1ccccc1Cl ZINC001182218124 1133598238 /nfs/dbraw/zinc/59/82/38/1133598238.db2.gz GVXBTSFHUMCQGB-GOSISDBHSA-N 1 2 345.874 3.743 20 0 EHADLO COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccc(C)[nH+]c1C ZINC001203370896 1133598802 /nfs/dbraw/zinc/59/88/02/1133598802.db2.gz ZTSLVCQOJYCJPK-UHFFFAOYSA-N 1 2 326.183 3.930 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NCc1cccc(F)n1)c1ccccc1Cl ZINC001182222953 1133599053 /nfs/dbraw/zinc/59/90/53/1133599053.db2.gz GUUYDOINQDKYMG-KRWDZBQOSA-N 1 2 349.837 3.573 20 0 EHADLO Cn1c(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc2ccccc21 ZINC001182265237 1133612477 /nfs/dbraw/zinc/61/24/77/1133612477.db2.gz KEVUCRVWYHMKGD-UHFFFAOYSA-N 1 2 344.418 3.604 20 0 EHADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000771961387 1133621272 /nfs/dbraw/zinc/62/12/72/1133621272.db2.gz WSLCVDHFMMUGMR-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO C[C@@H](Cc1ccco1)Nc1cc(N[C@@H](C)Cc2ccco2)[nH+]cn1 ZINC000771975522 1133623009 /nfs/dbraw/zinc/62/30/09/1133623009.db2.gz NHTPOQMVRLPLDC-KBPBESRZSA-N 1 2 326.400 3.749 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@H](C)c3cccnc3)cc12 ZINC000772257228 1133667067 /nfs/dbraw/zinc/66/70/67/1133667067.db2.gz PZZGREITKSYBPX-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@H](C)c3cccnc3)cc12 ZINC000772257228 1133667069 /nfs/dbraw/zinc/66/70/69/1133667069.db2.gz PZZGREITKSYBPX-GFCCVEGCSA-N 1 2 329.835 3.518 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC001182452987 1133672869 /nfs/dbraw/zinc/67/28/69/1133672869.db2.gz CJZRQUGLJPWAIG-CQSZACIVSA-N 1 2 333.432 3.761 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC001182452987 1133672871 /nfs/dbraw/zinc/67/28/71/1133672871.db2.gz CJZRQUGLJPWAIG-CQSZACIVSA-N 1 2 333.432 3.761 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182710058 1133721957 /nfs/dbraw/zinc/72/19/57/1133721957.db2.gz JMMGLPWZAHKVGQ-CYBMUJFWSA-N 1 2 330.391 3.559 20 0 EHADLO C[C@@H](c1nc(Cc2c[nH]c3ccc(Br)cc23)no1)[NH+](C)C ZINC000785585574 1133723181 /nfs/dbraw/zinc/72/31/81/1133723181.db2.gz ZKRYLPJBSRPZRJ-VIFPVBQESA-N 1 2 349.232 3.527 20 0 EHADLO CSC[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001183219017 1133780418 /nfs/dbraw/zinc/78/04/18/1133780418.db2.gz DAAPJIJOMZHUII-HZMBPMFUSA-N 1 2 349.327 3.711 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c1 ZINC001183710120 1133845016 /nfs/dbraw/zinc/84/50/16/1133845016.db2.gz QVHFUZMVARZPCI-UHFFFAOYSA-N 1 2 342.414 3.741 20 0 EHADLO CCOc1cc(F)cc(C[N@H+]2CCc3ccc(NC(C)=O)cc3C2)c1 ZINC001183710120 1133845020 /nfs/dbraw/zinc/84/50/20/1133845020.db2.gz QVHFUZMVARZPCI-UHFFFAOYSA-N 1 2 342.414 3.741 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)[C@H]1c1ccccc1 ZINC000774677798 1133852058 /nfs/dbraw/zinc/85/20/58/1133852058.db2.gz WWTCYSTVRDDWEE-OXJNMPFZSA-N 1 2 332.447 3.711 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)[C@H]1c1ccccc1 ZINC000774677798 1133852063 /nfs/dbraw/zinc/85/20/63/1133852063.db2.gz WWTCYSTVRDDWEE-OXJNMPFZSA-N 1 2 332.447 3.711 20 0 EHADLO Nc1ccc(CCC(=O)Nc2ccc(-c3cccc(O)c3)cc2)c[nH+]1 ZINC001183934334 1133874008 /nfs/dbraw/zinc/87/40/08/1133874008.db2.gz IJOMGUSDKPZUIL-UHFFFAOYSA-N 1 2 333.391 3.608 20 0 EHADLO CC[C@@H](C)CCCCC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001273483593 1133885246 /nfs/dbraw/zinc/88/52/46/1133885246.db2.gz KWBLLYZZECSMDJ-CQSZACIVSA-N 1 2 342.443 3.516 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1csc2ccccc21 ZINC000786908735 1133919726 /nfs/dbraw/zinc/91/97/26/1133919726.db2.gz LMMUYEVGFDRTEO-CHWSQXEVSA-N 1 2 325.437 3.538 20 0 EHADLO CC(=O)Nc1ccc(Sc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001184515632 1133955404 /nfs/dbraw/zinc/95/54/04/1133955404.db2.gz ANFCFONNCNFGRV-UHFFFAOYSA-N 1 2 334.404 3.992 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787150042 1133959874 /nfs/dbraw/zinc/95/98/74/1133959874.db2.gz MUHZRZLBKVNWJO-UHFFFAOYSA-N 1 2 348.288 3.871 20 0 EHADLO c1ccc(OC2CCOCC2)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184965447 1134007896 /nfs/dbraw/zinc/00/78/96/1134007896.db2.gz VLXCEFLWNOMESX-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO COC(=O)CCCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184965223 1134008180 /nfs/dbraw/zinc/00/81/80/1134008180.db2.gz UPWBDVCETSYONP-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO COC(=O)c1cc(Nc2ccc[nH+]c2N2CCCC2)c(C)cc1C ZINC001184964536 1134008515 /nfs/dbraw/zinc/00/85/15/1134008515.db2.gz MMIRRLIXPKAUTN-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO Nc1cc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cc[nH+]1 ZINC000787593179 1134017105 /nfs/dbraw/zinc/01/71/05/1134017105.db2.gz SMFKLSUJIBLGAS-UHFFFAOYSA-N 1 2 328.755 3.934 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(F)c(F)c1 ZINC001185089165 1134027752 /nfs/dbraw/zinc/02/77/52/1134027752.db2.gz BSKXMIDBYJRTQF-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(CC2CCC2)CCOCC1 ZINC001185197929 1134049495 /nfs/dbraw/zinc/04/94/95/1134049495.db2.gz CYEXOGTWLURXBU-UHFFFAOYSA-N 1 2 339.439 3.798 20 0 EHADLO Cc1cc(Cl)nc(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000788105269 1134075741 /nfs/dbraw/zinc/07/57/41/1134075741.db2.gz DBIDBCLHUDPSCU-QGZVFWFLSA-N 1 2 344.842 3.751 20 0 EHADLO Cc1cc(Cl)nc(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000788105269 1134075748 /nfs/dbraw/zinc/07/57/48/1134075748.db2.gz DBIDBCLHUDPSCU-QGZVFWFLSA-N 1 2 344.842 3.751 20 0 EHADLO COc1ccc2c(c1)OCC[C@@H]2Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001185519245 1134102627 /nfs/dbraw/zinc/10/26/27/1134102627.db2.gz WAMLFVJGBYYVPS-INIZCTEOSA-N 1 2 325.412 3.997 20 0 EHADLO Cc1cccn2cc(CCNC(=O)NC3CCCCCCC3)[nH+]c12 ZINC000746741034 1134105380 /nfs/dbraw/zinc/10/53/80/1134105380.db2.gz DNSZHGHKNWCPHU-UHFFFAOYSA-N 1 2 328.460 3.597 20 0 EHADLO CCc1cc(N[C@H]2CCN(c3cccc(Cl)c3)C2)nc(CC)[nH+]1 ZINC001185592919 1134111447 /nfs/dbraw/zinc/11/14/47/1134111447.db2.gz KQEKKVHJSHIQTG-HNNXBMFYSA-N 1 2 330.863 3.946 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000774914890 1134122979 /nfs/dbraw/zinc/12/29/79/1134122979.db2.gz XMHDDSQEHIRGIQ-QUCCMNQESA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000774914890 1134122981 /nfs/dbraw/zinc/12/29/81/1134122981.db2.gz XMHDDSQEHIRGIQ-QUCCMNQESA-N 1 2 345.870 3.973 20 0 EHADLO CCC1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCCC1 ZINC000774962249 1134155259 /nfs/dbraw/zinc/15/52/59/1134155259.db2.gz HXYAEQCBXZQTSS-INIZCTEOSA-N 1 2 332.492 3.670 20 0 EHADLO Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)CC2 ZINC000788828606 1134178383 /nfs/dbraw/zinc/17/83/83/1134178383.db2.gz UJNWKZHKDYCTAZ-QGZVFWFLSA-N 1 2 338.842 3.757 20 0 EHADLO Cc1cc(C)cc([C@H](O)CNc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001186239323 1134185547 /nfs/dbraw/zinc/18/55/47/1134185547.db2.gz VHTGKIJUDIAGFX-LJQANCHMSA-N 1 2 332.407 3.645 20 0 EHADLO Cc1nc(NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c2c([nH+]1)CCCC2 ZINC001186373273 1134211062 /nfs/dbraw/zinc/21/10/62/1134211062.db2.gz LMOMQGWIOUJVLH-YCRPNKLZSA-N 1 2 339.483 3.706 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789309362 1134252256 /nfs/dbraw/zinc/25/22/56/1134252256.db2.gz IQJRSLOTXCNCMB-GOSISDBHSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789309362 1134252258 /nfs/dbraw/zinc/25/22/58/1134252258.db2.gz IQJRSLOTXCNCMB-GOSISDBHSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1ccc2oc(=O)n(C[NH+]3CCC(CC(F)(F)F)CC3)c2c1 ZINC000789528207 1134290831 /nfs/dbraw/zinc/29/08/31/1134290831.db2.gz BIKPCYQGGLXMKT-UHFFFAOYSA-N 1 2 328.334 3.525 20 0 EHADLO CCN(CCn1cc[nH+]c1)c1nnc(Cl)c2ccc(Cl)cc21 ZINC001157466483 1134325244 /nfs/dbraw/zinc/32/52/44/1134325244.db2.gz MCLMBKDNFKYIIW-UHFFFAOYSA-N 1 2 336.226 3.660 20 0 EHADLO Cc1sc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)nc1C(C)C ZINC000789904581 1134347548 /nfs/dbraw/zinc/34/75/48/1134347548.db2.gz BRNZRBYIRFFHJV-CQSZACIVSA-N 1 2 348.516 3.545 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(F)cc(F)c1 ZINC001187568733 1134353684 /nfs/dbraw/zinc/35/36/84/1134353684.db2.gz OIKSEQZIGXULSZ-UHFFFAOYSA-N 1 2 342.349 3.814 20 0 EHADLO Cc1sc(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)nc1C(C)C ZINC000790002261 1134357037 /nfs/dbraw/zinc/35/70/37/1134357037.db2.gz YMIDKEFKEUZLJY-UHFFFAOYSA-N 1 2 332.473 3.526 20 0 EHADLO S=C(Nc1ccsc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000790303045 1134399427 /nfs/dbraw/zinc/39/94/27/1134399427.db2.gz PYOZMJWXWHKQDH-QPJJXVBHSA-N 1 2 343.521 3.776 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)c1nnnn1C1CC1 ZINC000790536268 1134432856 /nfs/dbraw/zinc/43/28/56/1134432856.db2.gz FMODPIBPCAFEGN-ISVAXAHUSA-N 1 2 338.242 3.653 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001188285544 1134450407 /nfs/dbraw/zinc/45/04/07/1134450407.db2.gz SPDLCUGBJNCWSO-SFHVURJKSA-N 1 2 342.389 3.679 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001188285544 1134450410 /nfs/dbraw/zinc/45/04/10/1134450410.db2.gz SPDLCUGBJNCWSO-SFHVURJKSA-N 1 2 342.389 3.679 20 0 EHADLO COc1cc2c(cc1NC(=O)Cc1[nH]c[nH+]c1C)oc1ccccc12 ZINC000791299914 1134526976 /nfs/dbraw/zinc/52/69/76/1134526976.db2.gz FRYMCZUTEPBPLR-UHFFFAOYSA-N 1 2 335.363 3.807 20 0 EHADLO Cc1cccc(C)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001189038404 1134534815 /nfs/dbraw/zinc/53/48/15/1134534815.db2.gz BOOWOOINQJBATQ-KPKJPENVSA-N 1 2 334.463 3.775 20 0 EHADLO Cc1c(F)cccc1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001189044937 1134536491 /nfs/dbraw/zinc/53/64/91/1134536491.db2.gz OBDTUWNJWXPPGW-HNNXBMFYSA-N 1 2 329.375 3.604 20 0 EHADLO Cc1cncc(/C=C/C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791414533 1134548475 /nfs/dbraw/zinc/54/84/75/1134548475.db2.gz JFAMZBNZUGGEPY-ZZXKWVIFSA-N 1 2 333.391 3.641 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](F)Cc1ccccc1 ZINC000791440135 1134550539 /nfs/dbraw/zinc/55/05/39/1134550539.db2.gz BNXIOTHWKGOBGG-IBGZPJMESA-N 1 2 338.382 3.805 20 0 EHADLO CCCCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001189309507 1134568821 /nfs/dbraw/zinc/56/88/21/1134568821.db2.gz ZVRPTMCDXQYZOO-UHFFFAOYSA-N 1 2 342.443 3.931 20 0 EHADLO CCCCOc1ccc(NC(=O)NCc2ccc3[nH+]ccn3c2)cc1 ZINC001189335057 1134572987 /nfs/dbraw/zinc/57/29/87/1134572987.db2.gz QEPUOLRNECDHQN-UHFFFAOYSA-N 1 2 338.411 3.835 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000791558165 1134573092 /nfs/dbraw/zinc/57/30/92/1134573092.db2.gz PKRAXVXRQLPEBC-HPEXNQPKSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000791558165 1134573097 /nfs/dbraw/zinc/57/30/97/1134573097.db2.gz PKRAXVXRQLPEBC-HPEXNQPKSA-N 1 2 330.255 3.526 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)OC2CCCC2)[C@H](C)C1 ZINC001189587311 1134604496 /nfs/dbraw/zinc/60/44/96/1134604496.db2.gz JVQDUZICVQXDTA-MRXNPFEDSA-N 1 2 346.471 3.671 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)OC2CCCC2)[C@H](C)C1 ZINC001189587311 1134604499 /nfs/dbraw/zinc/60/44/99/1134604499.db2.gz JVQDUZICVQXDTA-MRXNPFEDSA-N 1 2 346.471 3.671 20 0 EHADLO COC(=O)c1cc(C)c(C)c(NC(=O)c2ccccc2-n2cc[nH+]c2)c1 ZINC001190098864 1134655276 /nfs/dbraw/zinc/65/52/76/1134655276.db2.gz ALUNFCVCJDVXDL-UHFFFAOYSA-N 1 2 349.390 3.528 20 0 EHADLO O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccccc1-n1cc[nH+]c1 ZINC001190075532 1134658298 /nfs/dbraw/zinc/65/82/98/1134658298.db2.gz WBSBEIUARNFFMO-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001190338327 1134684803 /nfs/dbraw/zinc/68/48/03/1134684803.db2.gz UXMXFEKTVDGKCS-UHFFFAOYSA-N 1 2 334.379 3.600 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000775395871 1134714397 /nfs/dbraw/zinc/71/43/97/1134714397.db2.gz CQTRVAGPPAFTTJ-UHFFFAOYSA-N 1 2 349.784 3.672 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000775395871 1134714401 /nfs/dbraw/zinc/71/44/01/1134714401.db2.gz CQTRVAGPPAFTTJ-UHFFFAOYSA-N 1 2 349.784 3.672 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(OC(F)(F)F)ccc1F ZINC001190665241 1134727802 /nfs/dbraw/zinc/72/78/02/1134727802.db2.gz FHJZVMCCKJHHKS-UHFFFAOYSA-N 1 2 339.248 3.624 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H]1COC2(CCCCC2)O1 ZINC001190730419 1134743972 /nfs/dbraw/zinc/74/39/72/1134743972.db2.gz HGOXMOKOKZPRFG-AWEZNQCLSA-N 1 2 325.399 3.863 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H]1COC2(CCCCC2)O1 ZINC001190730419 1134743979 /nfs/dbraw/zinc/74/39/79/1134743979.db2.gz HGOXMOKOKZPRFG-AWEZNQCLSA-N 1 2 325.399 3.863 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001191139715 1134810250 /nfs/dbraw/zinc/81/02/50/1134810250.db2.gz YZMLRTWMOOSIGL-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(NCCCc1ccccc1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001191200266 1134813130 /nfs/dbraw/zinc/81/31/30/1134813130.db2.gz QLFYZMIMJZDOHN-UHFFFAOYSA-N 1 2 334.423 3.686 20 0 EHADLO CCCCCc1nnc(NC(=O)C[NH+]2CCC(CCC)CC2)s1 ZINC001191359682 1134856128 /nfs/dbraw/zinc/85/61/28/1134856128.db2.gz WWJWVEAVBKUPLU-UHFFFAOYSA-N 1 2 338.521 3.721 20 0 EHADLO CCc1cccc(F)c1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000793165621 1134858438 /nfs/dbraw/zinc/85/84/38/1134858438.db2.gz CRZFARZSDHPYCC-HXUWFJFHSA-N 1 2 340.442 3.621 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000793165621 1134858448 /nfs/dbraw/zinc/85/84/48/1134858448.db2.gz CRZFARZSDHPYCC-HXUWFJFHSA-N 1 2 340.442 3.621 20 0 EHADLO CCCCOc1ccc(C(=O)OCCc2c[nH+]cn2C)c(Cl)c1 ZINC000793239652 1134886110 /nfs/dbraw/zinc/88/61/10/1134886110.db2.gz DDDNARUOIOJFRJ-UHFFFAOYSA-N 1 2 336.819 3.652 20 0 EHADLO C[C@]1(c2ccccc2)CCN(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1=O ZINC000780448349 1134891285 /nfs/dbraw/zinc/89/12/85/1134891285.db2.gz AYXJAUHSGVXGEJ-JOCHJYFZSA-N 1 2 346.474 3.682 20 0 EHADLO C[C@]1(c2ccccc2)CCN(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1=O ZINC000780448349 1134891289 /nfs/dbraw/zinc/89/12/89/1134891289.db2.gz AYXJAUHSGVXGEJ-JOCHJYFZSA-N 1 2 346.474 3.682 20 0 EHADLO Cc1cc(C[N@H+](CCO)Cc2cccnc2Cl)ccc1Cl ZINC000793365910 1134912394 /nfs/dbraw/zinc/91/23/94/1134912394.db2.gz MGCNYOXSBBBOMK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1cc(C[N@@H+](CCO)Cc2cccnc2Cl)ccc1Cl ZINC000793365910 1134912399 /nfs/dbraw/zinc/91/23/99/1134912399.db2.gz MGCNYOXSBBBOMK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO COc1cc(NCc2c[nH+]c3c(C)cccn23)c(OC)c(C)c1OC ZINC000793390932 1134921951 /nfs/dbraw/zinc/92/19/51/1134921951.db2.gz LUDSKTJWCUVFOS-UHFFFAOYSA-N 1 2 341.411 3.589 20 0 EHADLO CCO[C@H](CC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793392236 1134922870 /nfs/dbraw/zinc/92/28/70/1134922870.db2.gz ZGBZYZVYRCRJDT-QGZVFWFLSA-N 1 2 328.412 3.607 20 0 EHADLO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000793545097 1134953208 /nfs/dbraw/zinc/95/32/08/1134953208.db2.gz RVKDQILIUVSEDL-IPHXSNPTSA-N 1 2 340.467 3.728 20 0 EHADLO CC1(C)CO[C@H](C[N@@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC001192185586 1134976015 /nfs/dbraw/zinc/97/60/15/1134976015.db2.gz YFQNHEDOKDARDQ-ZDUSSCGKSA-N 1 2 342.252 3.761 20 0 EHADLO CC1(C)CO[C@H](C[N@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC001192185586 1134976020 /nfs/dbraw/zinc/97/60/20/1134976020.db2.gz YFQNHEDOKDARDQ-ZDUSSCGKSA-N 1 2 342.252 3.761 20 0 EHADLO COC1CCC(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CC1 ZINC000794205197 1135027871 /nfs/dbraw/zinc/02/78/71/1135027871.db2.gz GLBBAKLGKQQNHY-UHFFFAOYSA-N 1 2 327.428 3.919 20 0 EHADLO CCCCCSc1ncccc1C(=O)NCCOc1cc[nH+]cc1 ZINC001192593210 1135036326 /nfs/dbraw/zinc/03/63/26/1135036326.db2.gz LDUKSCIVHORLQV-UHFFFAOYSA-N 1 2 345.468 3.568 20 0 EHADLO CCc1ccc(OC)c(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)c1 ZINC001192774979 1135053745 /nfs/dbraw/zinc/05/37/45/1135053745.db2.gz GDHXIGUUVXRUNP-UHFFFAOYSA-N 1 2 346.452 3.721 20 0 EHADLO O=C1CCCCN1[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804449748 1135079873 /nfs/dbraw/zinc/07/98/73/1135079873.db2.gz ASNJMUDILZSDOD-AWEZNQCLSA-N 1 2 343.858 3.870 20 0 EHADLO C[C@H]1CN=C(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)S1 ZINC000804505424 1135093186 /nfs/dbraw/zinc/09/31/86/1135093186.db2.gz AULBFFJKOXLSLD-LBPRGKRZSA-N 1 2 346.887 3.502 20 0 EHADLO CCCC[C@H](C)NC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001193084603 1135098073 /nfs/dbraw/zinc/09/80/73/1135098073.db2.gz HZTBZFCSGMVGFA-AWEZNQCLSA-N 1 2 348.878 3.963 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(F)cc1Cl ZINC001193210608 1135114809 /nfs/dbraw/zinc/11/48/09/1135114809.db2.gz OSLKNRPFBDLASZ-HNNXBMFYSA-N 1 2 345.842 3.566 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(F)cc1Cl ZINC001193210608 1135114811 /nfs/dbraw/zinc/11/48/11/1135114811.db2.gz OSLKNRPFBDLASZ-HNNXBMFYSA-N 1 2 345.842 3.566 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(Cl)c1)C2 ZINC001193293812 1135122906 /nfs/dbraw/zinc/12/29/06/1135122906.db2.gz SUBYQFJDFOIKOF-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc(Cl)c1)C2 ZINC001193293812 1135122908 /nfs/dbraw/zinc/12/29/08/1135122908.db2.gz SUBYQFJDFOIKOF-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1Cl ZINC001193307704 1135124528 /nfs/dbraw/zinc/12/45/28/1135124528.db2.gz ALHNXYNNLSXUGK-CYBMUJFWSA-N 1 2 345.826 3.910 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1Cl ZINC001193307704 1135124532 /nfs/dbraw/zinc/12/45/32/1135124532.db2.gz ALHNXYNNLSXUGK-CYBMUJFWSA-N 1 2 345.826 3.910 20 0 EHADLO CC(C)OC(=O)NCc1c[nH+]cn1Cc1ccc(C(F)(F)F)cc1 ZINC001193520812 1135150985 /nfs/dbraw/zinc/15/09/85/1135150985.db2.gz CCALWJQRKKVBQI-UHFFFAOYSA-N 1 2 341.333 3.585 20 0 EHADLO CCCCOC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001193722685 1135172707 /nfs/dbraw/zinc/17/27/07/1135172707.db2.gz WFDDNZOPUAHDAL-UHFFFAOYSA-N 1 2 342.842 3.970 20 0 EHADLO Cc1cc(CNC(=O)c2ncccc2Oc2ccccc2)cc(C)[nH+]1 ZINC001129859144 1135173297 /nfs/dbraw/zinc/17/32/97/1135173297.db2.gz XVJYGYYAPMGPIE-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)c2ccccc2N)cc1 ZINC001193923665 1135205124 /nfs/dbraw/zinc/20/51/24/1135205124.db2.gz DRPKBZRBDFDKPA-UHFFFAOYSA-N 1 2 347.484 3.696 20 0 EHADLO CCCCCCOC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194202879 1135242738 /nfs/dbraw/zinc/24/27/38/1135242738.db2.gz AUWCCLGDKKCMAL-PKOBYXMFSA-N 1 2 348.487 3.582 20 0 EHADLO CCCCCCOC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194202879 1135242741 /nfs/dbraw/zinc/24/27/41/1135242741.db2.gz AUWCCLGDKKCMAL-PKOBYXMFSA-N 1 2 348.487 3.582 20 0 EHADLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928242 1135311274 /nfs/dbraw/zinc/31/12/74/1135311274.db2.gz KGWDIJUZVUHDSS-SCLBCKFNSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928242 1135311280 /nfs/dbraw/zinc/31/12/80/1135311280.db2.gz KGWDIJUZVUHDSS-SCLBCKFNSA-N 1 2 343.389 3.512 20 0 EHADLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(C)n1 ZINC000775609518 1135315905 /nfs/dbraw/zinc/31/59/05/1135315905.db2.gz PBKUWHBJXMHAIR-UHFFFAOYSA-N 1 2 333.476 3.530 20 0 EHADLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(C)n1 ZINC000775609518 1135315910 /nfs/dbraw/zinc/31/59/10/1135315910.db2.gz PBKUWHBJXMHAIR-UHFFFAOYSA-N 1 2 333.476 3.530 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)n1 ZINC001194755829 1135318531 /nfs/dbraw/zinc/31/85/31/1135318531.db2.gz ZWRTWNGJQFXEAH-UHFFFAOYSA-N 1 2 332.451 3.832 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCc3ccc(-c4ccccc4)cc3C2)n1 ZINC001194755829 1135318537 /nfs/dbraw/zinc/31/85/37/1135318537.db2.gz ZWRTWNGJQFXEAH-UHFFFAOYSA-N 1 2 332.451 3.832 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000805802525 1135335056 /nfs/dbraw/zinc/33/50/56/1135335056.db2.gz SMLRYINFYLXUMJ-STQMWFEESA-N 1 2 347.484 3.784 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc2ccccc2s1 ZINC000805802525 1135335061 /nfs/dbraw/zinc/33/50/61/1135335061.db2.gz SMLRYINFYLXUMJ-STQMWFEESA-N 1 2 347.484 3.784 20 0 EHADLO Cc1cc(Br)c(C(=O)OCc2c[nH+]cn2C)cc1Cl ZINC000805890060 1135352797 /nfs/dbraw/zinc/35/27/97/1135352797.db2.gz ZNRUAMZJUCPBCE-UHFFFAOYSA-N 1 2 343.608 3.501 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001195232550 1135389846 /nfs/dbraw/zinc/38/98/46/1135389846.db2.gz FBAIZJCBTWYCFV-OAHLLOKOSA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001195232550 1135389851 /nfs/dbraw/zinc/38/98/51/1135389851.db2.gz FBAIZJCBTWYCFV-OAHLLOKOSA-N 1 2 334.218 3.908 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1cn(-c2ccccc2)nn1 ZINC000806147493 1135400865 /nfs/dbraw/zinc/40/08/65/1135400865.db2.gz JXBCBENHLDFPRI-IUODEOHRSA-N 1 2 339.830 3.654 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001203806999 1135422008 /nfs/dbraw/zinc/42/20/08/1135422008.db2.gz VLSSROVMDXMNOY-ZDUSSCGKSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001203806999 1135422012 /nfs/dbraw/zinc/42/20/12/1135422012.db2.gz VLSSROVMDXMNOY-ZDUSSCGKSA-N 1 2 338.238 3.827 20 0 EHADLO CC(C)c1nc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000079919056 1135422196 /nfs/dbraw/zinc/42/21/96/1135422196.db2.gz UORKAIADCPKLLP-UHFFFAOYSA-N 1 2 345.390 3.892 20 0 EHADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1ccc2[nH+]ccn2c1 ZINC000747313477 1135422310 /nfs/dbraw/zinc/42/23/10/1135422310.db2.gz CMQPDWJCMGMRIK-UHFFFAOYSA-N 1 2 342.309 3.723 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000775654468 1135425560 /nfs/dbraw/zinc/42/55/60/1135425560.db2.gz LMGUMAVLXJXFMR-UHFFFAOYSA-N 1 2 338.842 3.759 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001195456952 1135426316 /nfs/dbraw/zinc/42/63/16/1135426316.db2.gz DUBJEBVOCMMZSK-UHFFFAOYSA-N 1 2 341.455 3.667 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)[C@@H](C)CO1 ZINC001195747624 1135466262 /nfs/dbraw/zinc/46/62/62/1135466262.db2.gz FUXAIUGWFPEDHB-QFBILLFUSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)[C@@H](C)CO1 ZINC001195747624 1135466264 /nfs/dbraw/zinc/46/62/64/1135466264.db2.gz FUXAIUGWFPEDHB-QFBILLFUSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001195860398 1135476289 /nfs/dbraw/zinc/47/62/89/1135476289.db2.gz BPQWXZLEIQNQDY-DVOMOZLQSA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001195860398 1135476294 /nfs/dbraw/zinc/47/62/94/1135476294.db2.gz BPQWXZLEIQNQDY-DVOMOZLQSA-N 1 2 332.271 3.916 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)CCCc2ccccc2)c1C ZINC000775684460 1135504926 /nfs/dbraw/zinc/50/49/26/1135504926.db2.gz KOBMHVIZKWHASS-HNNXBMFYSA-N 1 2 340.467 3.982 20 0 EHADLO O=C1C[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3F)C2)Oc2ccccc21 ZINC001196127823 1135518473 /nfs/dbraw/zinc/51/84/73/1135518473.db2.gz AFKFRZIWOAFATA-HXUWFJFHSA-N 1 2 343.373 3.965 20 0 EHADLO O=C1C[C@@]2(CCC[N@H+](Cc3ccc(F)cc3F)C2)Oc2ccccc21 ZINC001196127823 1135518478 /nfs/dbraw/zinc/51/84/78/1135518478.db2.gz AFKFRZIWOAFATA-HXUWFJFHSA-N 1 2 343.373 3.965 20 0 EHADLO CCOCCOCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001196149303 1135522250 /nfs/dbraw/zinc/52/22/50/1135522250.db2.gz ACDNBTYLPPJFRR-QGZVFWFLSA-N 1 2 341.879 3.545 20 0 EHADLO CCOCCOCC[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001196149303 1135522254 /nfs/dbraw/zinc/52/22/54/1135522254.db2.gz ACDNBTYLPPJFRR-QGZVFWFLSA-N 1 2 341.879 3.545 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1snc(Cl)c1Cl ZINC001196328930 1135546113 /nfs/dbraw/zinc/54/61/13/1135546113.db2.gz CLWFEJAETBIMNW-UHFFFAOYSA-N 1 2 339.207 3.888 20 0 EHADLO Cc1cccc(NC(=S)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC001196410824 1135559315 /nfs/dbraw/zinc/55/93/15/1135559315.db2.gz FTGDNLYTBMAMPM-INIZCTEOSA-N 1 2 327.453 3.549 20 0 EHADLO CC/C(=C/C(=O)NCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000747417811 1135567106 /nfs/dbraw/zinc/56/71/06/1135567106.db2.gz ZOUNGLPVKLBXHO-NXVVXOECSA-N 1 2 339.439 3.502 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181680 1135578403 /nfs/dbraw/zinc/57/84/03/1135578403.db2.gz NGYPSLFFROTQRY-IFCKCIONSA-N 1 2 327.428 3.765 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181680 1135578407 /nfs/dbraw/zinc/57/84/07/1135578407.db2.gz NGYPSLFFROTQRY-IFCKCIONSA-N 1 2 327.428 3.765 20 0 EHADLO FC(F)(F)[C@@H]1CC=C(Nc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001196768399 1135604312 /nfs/dbraw/zinc/60/43/12/1135604312.db2.gz QQLMVUDHDKMCDO-GFCCVEGCSA-N 1 2 327.350 3.576 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc1 ZINC000747453180 1135609971 /nfs/dbraw/zinc/60/99/71/1135609971.db2.gz BMKRQZIDJWPZJT-UHFFFAOYSA-N 1 2 347.484 3.556 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc1 ZINC000747453180 1135609972 /nfs/dbraw/zinc/60/99/72/1135609972.db2.gz BMKRQZIDJWPZJT-UHFFFAOYSA-N 1 2 347.484 3.556 20 0 EHADLO CC[C@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833888 1135616348 /nfs/dbraw/zinc/61/63/48/1135616348.db2.gz VACZRGLQHKJPDL-ZBEGNZNMSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833888 1135616352 /nfs/dbraw/zinc/61/63/52/1135616352.db2.gz VACZRGLQHKJPDL-ZBEGNZNMSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)[C@H]1c1ccccc1 ZINC000808166408 1135629688 /nfs/dbraw/zinc/62/96/88/1135629688.db2.gz YPCWLJPDXMDGMI-ATZDWAIDSA-N 1 2 335.451 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)[C@H]1c1ccccc1 ZINC000808166408 1135629691 /nfs/dbraw/zinc/62/96/91/1135629691.db2.gz YPCWLJPDXMDGMI-ATZDWAIDSA-N 1 2 335.451 3.642 20 0 EHADLO Fc1ccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001196967992 1135629753 /nfs/dbraw/zinc/62/97/53/1135629753.db2.gz WARNHYYUVXRSBE-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC001197114437 1135651586 /nfs/dbraw/zinc/65/15/86/1135651586.db2.gz HAEGVWUSDRKLMV-OAHLLOKOSA-N 1 2 330.859 3.924 20 0 EHADLO CC[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](CO)c1ccccc1 ZINC001197254426 1135665773 /nfs/dbraw/zinc/66/57/73/1135665773.db2.gz GFWLOTJJHQVLRR-GOSISDBHSA-N 1 2 328.456 3.745 20 0 EHADLO CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](CO)c1ccccc1 ZINC001197254426 1135665775 /nfs/dbraw/zinc/66/57/75/1135665775.db2.gz GFWLOTJJHQVLRR-GOSISDBHSA-N 1 2 328.456 3.745 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)cc1 ZINC001197351264 1135676548 /nfs/dbraw/zinc/67/65/48/1135676548.db2.gz VPVDSGLWCBBKKD-UHFFFAOYSA-N 1 2 338.495 3.884 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)Nc1cccc(F)c1 ZINC001197636286 1135721566 /nfs/dbraw/zinc/72/15/66/1135721566.db2.gz XIBAIXQPRIREAM-UHFFFAOYSA-N 1 2 340.427 3.840 20 0 EHADLO C[C@@H](C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1)C1CCCCC1 ZINC001273749342 1135721588 /nfs/dbraw/zinc/72/15/88/1135721588.db2.gz COIVWUYIZILKGK-CQSZACIVSA-N 1 2 346.437 3.832 20 0 EHADLO C[C@@H](C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1)C1CCCCC1 ZINC001273749342 1135721591 /nfs/dbraw/zinc/72/15/91/1135721591.db2.gz COIVWUYIZILKGK-CQSZACIVSA-N 1 2 346.437 3.832 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2Cc2cnc(-c3ccccc3)nc2)[nH+]c1C ZINC001197710257 1135728577 /nfs/dbraw/zinc/72/85/77/1135728577.db2.gz GPODAFGHXBTZDI-SFHVURJKSA-N 1 2 333.439 3.821 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529795 1135741313 /nfs/dbraw/zinc/74/13/13/1135741313.db2.gz BEZWQOHJMKIWBN-FZKQIMNGSA-N 1 2 340.423 3.712 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529795 1135741316 /nfs/dbraw/zinc/74/13/16/1135741316.db2.gz BEZWQOHJMKIWBN-FZKQIMNGSA-N 1 2 340.423 3.712 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001198050723 1135765513 /nfs/dbraw/zinc/76/55/13/1135765513.db2.gz KDKKPNZODNSINV-CJNGLKHVSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001198050723 1135765518 /nfs/dbraw/zinc/76/55/18/1135765518.db2.gz KDKKPNZODNSINV-CJNGLKHVSA-N 1 2 330.255 3.528 20 0 EHADLO Cc1ccccc1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001198406368 1135810858 /nfs/dbraw/zinc/81/08/58/1135810858.db2.gz YNASFVQWJZKFGA-UHFFFAOYSA-N 1 2 327.453 3.630 20 0 EHADLO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198499187 1135823855 /nfs/dbraw/zinc/82/38/55/1135823855.db2.gz SNQPPZPPBRBEGT-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@@]1(C2CC2)COCC[N@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198499187 1135823859 /nfs/dbraw/zinc/82/38/59/1135823859.db2.gz SNQPPZPPBRBEGT-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO Clc1ccnc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1Cl ZINC001198585508 1135839502 /nfs/dbraw/zinc/83/95/02/1135839502.db2.gz GADHHIXFHDQFJA-JTQLQIEISA-N 1 2 328.268 3.910 20 0 EHADLO Clc1ccnc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1Cl ZINC001198585508 1135839505 /nfs/dbraw/zinc/83/95/05/1135839505.db2.gz GADHHIXFHDQFJA-JTQLQIEISA-N 1 2 328.268 3.910 20 0 EHADLO CN(C)c1ccc(NC(=S)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001198720025 1135848056 /nfs/dbraw/zinc/84/80/56/1135848056.db2.gz YSFYZBOCYDDING-UHFFFAOYSA-N 1 2 337.452 3.747 20 0 EHADLO Brc1c(C[NH2+]C/C=C/c2ccccc2)nc2ccccn12 ZINC000809618024 1135858324 /nfs/dbraw/zinc/85/83/24/1135858324.db2.gz DZFWCNFVMFQHOS-RMKNXTFCSA-N 1 2 342.240 3.900 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1nc2ccccc2s1 ZINC000809620250 1135858536 /nfs/dbraw/zinc/85/85/36/1135858536.db2.gz GCUWFRGUJPDRPF-JTQLQIEISA-N 1 2 347.465 3.649 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCCC[C@H]3c3nc(C)no3)oc21 ZINC000809718978 1135878153 /nfs/dbraw/zinc/87/81/53/1135878153.db2.gz SPSRCVDNINOLIE-HNNXBMFYSA-N 1 2 327.384 3.860 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCCC[C@H]3c3nc(C)no3)oc21 ZINC000809718978 1135878156 /nfs/dbraw/zinc/87/81/56/1135878156.db2.gz SPSRCVDNINOLIE-HNNXBMFYSA-N 1 2 327.384 3.860 20 0 EHADLO C[C@@H](CO)[N@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000809742975 1135884000 /nfs/dbraw/zinc/88/40/00/1135884000.db2.gz PEYZPGKSTVGOIN-ZDUSSCGKSA-N 1 2 335.879 3.636 20 0 EHADLO C[C@@H](CO)[N@@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000809742975 1135884002 /nfs/dbraw/zinc/88/40/02/1135884002.db2.gz PEYZPGKSTVGOIN-ZDUSSCGKSA-N 1 2 335.879 3.636 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(CNc3ccc([NH+](C)C)cc3C)cc12 ZINC001199472915 1135906229 /nfs/dbraw/zinc/90/62/29/1135906229.db2.gz SAECSGCYZDTBEK-UHFFFAOYSA-N 1 2 343.862 3.917 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc3ccccc3c2)c1C ZINC000105210660 1135920315 /nfs/dbraw/zinc/92/03/15/1135920315.db2.gz XRODECBGEOYOKL-UHFFFAOYSA-N 1 2 349.434 3.860 20 0 EHADLO O[C@@H](CNc1cc(SCc2ccccc2)cc[nH+]1)C(F)(F)F ZINC001158542696 1135923668 /nfs/dbraw/zinc/92/36/68/1135923668.db2.gz IGMWCZWZCUSCFQ-ZDUSSCGKSA-N 1 2 328.359 3.709 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)s1 ZINC000810128191 1135925078 /nfs/dbraw/zinc/92/50/78/1135925078.db2.gz JYSPBWZHZTZGCB-QWHCGFSZSA-N 1 2 344.484 3.775 20 0 EHADLO CCC[NH+]1CCN(c2ccc(NCc3[nH]ncc3C)cc2Cl)CC1 ZINC000810135646 1135925922 /nfs/dbraw/zinc/92/59/22/1135925922.db2.gz RGTPALXLHYIKNQ-UHFFFAOYSA-N 1 2 347.894 3.516 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000810276429 1135951050 /nfs/dbraw/zinc/95/10/50/1135951050.db2.gz PDCJFASVPQTIIF-UHFFFAOYSA-N 1 2 330.391 3.574 20 0 EHADLO C[C@@H](COc1cccc(F)c1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776087452 1135952062 /nfs/dbraw/zinc/95/20/62/1135952062.db2.gz WAAXBHKXSJVTHV-AWEZNQCLSA-N 1 2 340.354 3.636 20 0 EHADLO Cc1cc(F)cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001273845913 1135954989 /nfs/dbraw/zinc/95/49/89/1135954989.db2.gz VVGLLIMYMIFCEK-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(F)c1 ZINC000810553749 1135971797 /nfs/dbraw/zinc/97/17/97/1135971797.db2.gz LTPNAXVGPQNVJT-HNNXBMFYSA-N 1 2 338.382 3.917 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC001201092896 1135987341 /nfs/dbraw/zinc/98/73/41/1135987341.db2.gz MIHMKDDICIIOGX-UHFFFAOYSA-N 1 2 346.887 3.644 20 0 EHADLO C[C@@H]1CCC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C ZINC000810659952 1135995192 /nfs/dbraw/zinc/99/51/92/1135995192.db2.gz BKXQPMWACXOPQO-MDZRGWNJSA-N 1 2 326.440 3.842 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Oc1cccc(Cl)c1F ZINC000810694968 1135997619 /nfs/dbraw/zinc/99/76/19/1135997619.db2.gz JMVOLZDOINHOCD-UHFFFAOYSA-N 1 2 344.773 3.872 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2ccc(Br)cc2)n1 ZINC001201278120 1136002970 /nfs/dbraw/zinc/00/29/70/1136002970.db2.gz AOANNMSBMCOUQP-UHFFFAOYSA-N 1 2 344.216 3.664 20 0 EHADLO Cc1cnn(-c2cccc(C(F)(F)F)c2)c1Nc1ccc(N)[nH+]c1 ZINC001201279173 1136003650 /nfs/dbraw/zinc/00/36/50/1136003650.db2.gz KSQHHPIIYUZBOP-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Nc1ccc(Nc2oncc2-c2ccc(Br)cc2)c[nH+]1 ZINC001201279228 1136003737 /nfs/dbraw/zinc/00/37/37/1136003737.db2.gz RNASIWCDTKCRKA-UHFFFAOYSA-N 1 2 331.173 3.825 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccc(OCC)cc1)C2 ZINC001203967377 1136012113 /nfs/dbraw/zinc/01/21/13/1136012113.db2.gz JDOWXQRLTWVWTK-UHFFFAOYSA-N 1 2 345.464 3.882 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccc(OCC)cc1)C2 ZINC001203967377 1136012116 /nfs/dbraw/zinc/01/21/16/1136012116.db2.gz JDOWXQRLTWVWTK-UHFFFAOYSA-N 1 2 345.464 3.882 20 0 EHADLO CC(C)Oc1cncc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001201539613 1136033756 /nfs/dbraw/zinc/03/37/56/1136033756.db2.gz FDSDEVQEGUKCRN-GASCZTMLSA-N 1 2 342.443 3.621 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CSc2ccc(C)cc2C)c1C ZINC000747679826 1136053044 /nfs/dbraw/zinc/05/30/44/1136053044.db2.gz USUDBGSZZOMALV-UHFFFAOYSA-N 1 2 344.480 3.732 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CCCCCC(=O)C1 ZINC000811380827 1136079662 /nfs/dbraw/zinc/07/96/62/1136079662.db2.gz SBBUDYQJQBKCAM-MRXNPFEDSA-N 1 2 340.423 3.763 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000811467156 1136090985 /nfs/dbraw/zinc/09/09/85/1136090985.db2.gz GPBXUFPXJBGIKR-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000811467156 1136090988 /nfs/dbraw/zinc/09/09/88/1136090988.db2.gz GPBXUFPXJBGIKR-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000794441220 1136099626 /nfs/dbraw/zinc/09/96/26/1136099626.db2.gz APJUVCURFQZWFH-WFASDCNBSA-N 1 2 339.266 3.775 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000794441220 1136099627 /nfs/dbraw/zinc/09/96/27/1136099627.db2.gz APJUVCURFQZWFH-WFASDCNBSA-N 1 2 339.266 3.775 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[NH+]1CCC(C)(C3CC3)CC1)c2=O ZINC000811784673 1136135396 /nfs/dbraw/zinc/13/53/96/1136135396.db2.gz GLMHIEPALSKZJS-UHFFFAOYSA-N 1 2 331.485 3.544 20 0 EHADLO FC(F)(F)c1cc(Cl)c(=S)n(CN2CCn3c[nH+]cc3C2)c1 ZINC000811787250 1136140893 /nfs/dbraw/zinc/14/08/93/1136140893.db2.gz GEACGYQYXMTTPZ-UHFFFAOYSA-N 1 2 348.781 3.560 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(N(C)C)[nH+]1 ZINC001202397735 1136142551 /nfs/dbraw/zinc/14/25/51/1136142551.db2.gz WMEVPDUSALETNZ-BZUAXINKSA-N 1 2 330.476 3.936 20 0 EHADLO Fc1ccc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)cn1 ZINC000811840522 1136144010 /nfs/dbraw/zinc/14/40/10/1136144010.db2.gz ICRBGMWMABPEGH-UHFFFAOYSA-N 1 2 333.260 3.507 20 0 EHADLO Nc1cn2ccc(N[C@@H](Cc3ccccc3)c3nccs3)cc2[nH+]1 ZINC001170659137 1136168553 /nfs/dbraw/zinc/16/85/53/1136168553.db2.gz AXVMLZDZSWAYJW-HNNXBMFYSA-N 1 2 335.436 3.769 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3ccccc3)CCCC2)c1C ZINC000747769003 1136176611 /nfs/dbraw/zinc/17/66/11/1136176611.db2.gz MQMPEORESSFXHZ-UHFFFAOYSA-N 1 2 338.451 3.835 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@@H+]2CC[C@H](n3cccn3)C2)c1=S ZINC000812293987 1136195081 /nfs/dbraw/zinc/19/50/81/1136195081.db2.gz CCZVMSXGFIMHKL-LBPRGKRZSA-N 1 2 349.410 3.668 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@H+]2CC[C@H](n3cccn3)C2)c1=S ZINC000812293987 1136195083 /nfs/dbraw/zinc/19/50/83/1136195083.db2.gz CCZVMSXGFIMHKL-LBPRGKRZSA-N 1 2 349.410 3.668 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673787 1136195483 /nfs/dbraw/zinc/19/54/83/1136195483.db2.gz OCWUSDWHAMFEQX-CYBMUJFWSA-N 1 2 325.399 3.532 20 0 EHADLO C[C@H]1CC(=O)N(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000812302455 1136196496 /nfs/dbraw/zinc/19/64/96/1136196496.db2.gz XJBPUNBFADNSMC-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000850457459 1136263178 /nfs/dbraw/zinc/26/31/78/1136263178.db2.gz MEZPQKHMBIKZRU-CVEARBPZSA-N 1 2 348.487 3.692 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ncc(Br)s1 ZINC000850527798 1136278856 /nfs/dbraw/zinc/27/88/56/1136278856.db2.gz HLYVTJNXDLNIFO-UWJYBYFXSA-N 1 2 339.258 3.735 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncccn1)c1cc(F)cc(Br)c1 ZINC000850552545 1136283731 /nfs/dbraw/zinc/28/37/31/1136283731.db2.gz OYEAWGHNXIPSLH-OAHLLOKOSA-N 1 2 338.224 3.865 20 0 EHADLO CC(C)COC[C@H](N[C@@H](C)c1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000813324649 1136315906 /nfs/dbraw/zinc/31/59/06/1136315906.db2.gz QJOVQKONKFTQBR-RDJZCZTQSA-N 1 2 331.460 3.877 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000851157400 1136344444 /nfs/dbraw/zinc/34/44/44/1136344444.db2.gz OZTYYSJXDPPYKL-CHWSQXEVSA-N 1 2 344.377 3.674 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170709619 1136350675 /nfs/dbraw/zinc/35/06/75/1136350675.db2.gz BYCHIBPFQWLGOE-FJIDUMEYSA-N 1 2 329.484 3.964 20 0 EHADLO Cc1cc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000851400232 1136376684 /nfs/dbraw/zinc/37/66/84/1136376684.db2.gz VKZBWHUFZPVKKI-UHFFFAOYSA-N 1 2 345.830 3.512 20 0 EHADLO Cc1cc(F)c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000851400119 1136377083 /nfs/dbraw/zinc/37/70/83/1136377083.db2.gz SBOYCDFYQQLVMS-UHFFFAOYSA-N 1 2 346.377 3.742 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cnc2ccccc2c1 ZINC000851402414 1136377291 /nfs/dbraw/zinc/37/72/91/1136377291.db2.gz WRYLAPVRMPZALV-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000814075681 1136399636 /nfs/dbraw/zinc/39/96/36/1136399636.db2.gz VKQFRTOTQBNRLO-KRWDZBQOSA-N 1 2 342.439 3.643 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000814075681 1136399640 /nfs/dbraw/zinc/39/96/40/1136399640.db2.gz VKQFRTOTQBNRLO-KRWDZBQOSA-N 1 2 342.439 3.643 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nsc3ccccc23)CC1 ZINC000851749011 1136404949 /nfs/dbraw/zinc/40/49/49/1136404949.db2.gz ZSHMLEIEMDSKLI-UHFFFAOYSA-N 1 2 347.484 3.739 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nsc3ccccc23)CC1 ZINC000851749011 1136404951 /nfs/dbraw/zinc/40/49/51/1136404951.db2.gz ZSHMLEIEMDSKLI-UHFFFAOYSA-N 1 2 347.484 3.739 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000851812184 1136410500 /nfs/dbraw/zinc/41/05/00/1136410500.db2.gz GXQDJFVIOUUDKC-MOPGFXCFSA-N 1 2 329.440 3.728 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000851812184 1136410501 /nfs/dbraw/zinc/41/05/01/1136410501.db2.gz GXQDJFVIOUUDKC-MOPGFXCFSA-N 1 2 329.440 3.728 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc3ccccc3c(Cl)n2)n1 ZINC000852145221 1136436455 /nfs/dbraw/zinc/43/64/55/1136436455.db2.gz JJHIOBCQQOOCAH-UHFFFAOYSA-N 1 2 342.830 3.717 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CCCC23CCCCC3)C1 ZINC000852424303 1136455476 /nfs/dbraw/zinc/45/54/76/1136455476.db2.gz BSJFWGFXEZBEPP-SJORKVTESA-N 1 2 344.503 3.812 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)C2 ZINC000852460168 1136457266 /nfs/dbraw/zinc/45/72/66/1136457266.db2.gz KVMICBMLAZFDPC-OKILXGFUSA-N 1 2 334.769 3.612 20 0 EHADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)C2 ZINC000852460168 1136457269 /nfs/dbraw/zinc/45/72/69/1136457269.db2.gz KVMICBMLAZFDPC-OKILXGFUSA-N 1 2 334.769 3.612 20 0 EHADLO CN(CCC[NH2+][C@@H](c1ccccc1)C(F)F)C(=O)OC(C)(C)C ZINC000814650002 1136485536 /nfs/dbraw/zinc/48/55/36/1136485536.db2.gz BCZVWSIXPORLCQ-AWEZNQCLSA-N 1 2 328.403 3.839 20 0 EHADLO COc1cc(C[NH+]2CC(C)C2)cc(Br)c1OC(F)F ZINC000338953658 1136493852 /nfs/dbraw/zinc/49/38/52/1136493852.db2.gz UNSYVKJIYRIWMD-UHFFFAOYSA-N 1 2 336.176 3.511 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000111173496 1136518981 /nfs/dbraw/zinc/51/89/81/1136518981.db2.gz AOIRUYYXSPIVSC-LLVKDONJSA-N 1 2 330.379 3.634 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000111173496 1136518984 /nfs/dbraw/zinc/51/89/84/1136518984.db2.gz AOIRUYYXSPIVSC-LLVKDONJSA-N 1 2 330.379 3.634 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000853488805 1136537030 /nfs/dbraw/zinc/53/70/30/1136537030.db2.gz SYLLLPDEWLQWQD-HNNXBMFYSA-N 1 2 334.391 3.777 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000853488805 1136537033 /nfs/dbraw/zinc/53/70/33/1136537033.db2.gz SYLLLPDEWLQWQD-HNNXBMFYSA-N 1 2 334.391 3.777 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CN2CC[C@@H](C3CCCCC3)C2=O)on1 ZINC000853491369 1136537940 /nfs/dbraw/zinc/53/79/40/1136537940.db2.gz QMRNCVXQCZFPKI-DLBZAZTESA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CN2CC[C@@H](C3CCCCC3)C2=O)on1 ZINC000853491369 1136537942 /nfs/dbraw/zinc/53/79/42/1136537942.db2.gz QMRNCVXQCZFPKI-DLBZAZTESA-N 1 2 331.460 3.506 20 0 EHADLO CCOc1ccc(F)c(Nc2ccc(N)[nH+]c2)c1Br ZINC001159282398 1136544423 /nfs/dbraw/zinc/54/44/23/1136544423.db2.gz WQSLTJPJCMSOHU-UHFFFAOYSA-N 1 2 326.169 3.708 20 0 EHADLO COc1ccc(Nc2nn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)cc1 ZINC000853575982 1136545412 /nfs/dbraw/zinc/54/54/12/1136545412.db2.gz BOPDMPBVYQNMRK-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO COc1ccc(Nc2nn(C[N@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)cc1 ZINC000853575982 1136545415 /nfs/dbraw/zinc/54/54/15/1136545415.db2.gz BOPDMPBVYQNMRK-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853589372 1136546991 /nfs/dbraw/zinc/54/69/91/1136546991.db2.gz LOFVJDLWIBSZGT-QGZVFWFLSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853589372 1136546994 /nfs/dbraw/zinc/54/69/94/1136546994.db2.gz LOFVJDLWIBSZGT-QGZVFWFLSA-N 1 2 341.430 3.519 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2)n(C)c1=S ZINC000853605926 1136548459 /nfs/dbraw/zinc/54/84/59/1136548459.db2.gz PUFSTVAJELPSPD-VHRNVKJDSA-N 1 2 328.485 3.838 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2)n(C)c1=S ZINC000853605926 1136548461 /nfs/dbraw/zinc/54/84/61/1136548461.db2.gz PUFSTVAJELPSPD-VHRNVKJDSA-N 1 2 328.485 3.838 20 0 EHADLO CCCn1c(C)nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853610805 1136548727 /nfs/dbraw/zinc/54/87/27/1136548727.db2.gz VFNQKQSVIGISTF-INIZCTEOSA-N 1 2 330.501 3.752 20 0 EHADLO CCCn1c(C)nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853610805 1136548730 /nfs/dbraw/zinc/54/87/30/1136548730.db2.gz VFNQKQSVIGISTF-INIZCTEOSA-N 1 2 330.501 3.752 20 0 EHADLO Cc1cc2ncn(C[N@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)c2cc1C ZINC000853614809 1136549886 /nfs/dbraw/zinc/54/98/86/1136549886.db2.gz MYCSPHHZPDZQNE-ZIAGYGMSSA-N 1 2 341.377 3.652 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)c2cc1C ZINC000853614809 1136549889 /nfs/dbraw/zinc/54/98/89/1136549889.db2.gz MYCSPHHZPDZQNE-ZIAGYGMSSA-N 1 2 341.377 3.652 20 0 EHADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1ncn(CCc2cccs2)c1=S ZINC000853627150 1136550416 /nfs/dbraw/zinc/55/04/16/1136550416.db2.gz PPWQOMVGEWXHML-ZDUSSCGKSA-N 1 2 336.530 3.654 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1ncn(CCc2cccs2)c1=S ZINC000853627150 1136550417 /nfs/dbraw/zinc/55/04/17/1136550417.db2.gz PPWQOMVGEWXHML-ZDUSSCGKSA-N 1 2 336.530 3.654 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C)oc1ccccc12 ZINC000815164362 1136559667 /nfs/dbraw/zinc/55/96/67/1136559667.db2.gz WJNWSLKCEDSMCD-QWHCGFSZSA-N 1 2 338.407 3.873 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C)oc1ccccc12 ZINC000815164362 1136559669 /nfs/dbraw/zinc/55/96/69/1136559669.db2.gz WJNWSLKCEDSMCD-QWHCGFSZSA-N 1 2 338.407 3.873 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)O[C@@H]3CC[C@H](C)C3)c2)cc[nH+]1 ZINC000815233115 1136569563 /nfs/dbraw/zinc/56/95/63/1136569563.db2.gz ZTJUNNGYZOJBOD-SUMWQHHRSA-N 1 2 325.412 3.743 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc[nH+]1 ZINC000112298690 1136622092 /nfs/dbraw/zinc/62/20/92/1136622092.db2.gz RKEUVLBVKCSAMX-UHFFFAOYSA-N 1 2 337.404 3.956 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000815643402 1136625216 /nfs/dbraw/zinc/62/52/16/1136625216.db2.gz BOGXVIHFJJPKOO-HIFRSBDPSA-N 1 2 342.430 3.756 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000854818335 1136645871 /nfs/dbraw/zinc/64/58/71/1136645871.db2.gz GTOILLATXQKLIV-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO CCOc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000113038074 1136669412 /nfs/dbraw/zinc/66/94/12/1136669412.db2.gz GSMZHNFJKKGUSC-UHFFFAOYSA-N 1 2 335.407 3.509 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000816487473 1136724178 /nfs/dbraw/zinc/72/41/78/1136724178.db2.gz OAOWXGFLPMRSIF-CYBMUJFWSA-N 1 2 340.851 3.535 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000816487473 1136724182 /nfs/dbraw/zinc/72/41/82/1136724182.db2.gz OAOWXGFLPMRSIF-CYBMUJFWSA-N 1 2 340.851 3.535 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(CC(F)F)c2)cc1F ZINC000816512171 1136729526 /nfs/dbraw/zinc/72/95/26/1136729526.db2.gz ZDLZPKKWLXQXDY-HNNXBMFYSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(CC(F)F)c2)cc1F ZINC000816512171 1136729528 /nfs/dbraw/zinc/72/95/28/1136729528.db2.gz ZDLZPKKWLXQXDY-HNNXBMFYSA-N 1 2 327.325 3.764 20 0 EHADLO C[C@@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000816527330 1136734137 /nfs/dbraw/zinc/73/41/37/1136734137.db2.gz FPVOPOVPBZKRPG-HNNXBMFYSA-N 1 2 328.481 3.989 20 0 EHADLO Cn1ncc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1Cl ZINC000816610452 1136741150 /nfs/dbraw/zinc/74/11/50/1136741150.db2.gz KYFCLLNXYKQNQQ-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO Cn1ncc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1Cl ZINC000816610452 1136741154 /nfs/dbraw/zinc/74/11/54/1136741154.db2.gz KYFCLLNXYKQNQQ-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO CCOc1ccc(Oc2ccc(NC(=O)Cc3[nH]cc[nH+]3)cc2)cc1 ZINC000816834590 1136755988 /nfs/dbraw/zinc/75/59/88/1136755988.db2.gz XOLSIWXLUXMZIX-UHFFFAOYSA-N 1 2 337.379 3.782 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C2(CCC2)C1 ZINC000817289651 1136791482 /nfs/dbraw/zinc/79/14/82/1136791482.db2.gz BFODDHHQPMDCGP-LLVKDONJSA-N 1 2 334.769 3.633 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C2(CCC2)C1 ZINC000817289651 1136791485 /nfs/dbraw/zinc/79/14/85/1136791485.db2.gz BFODDHHQPMDCGP-LLVKDONJSA-N 1 2 334.769 3.633 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000817278458 1136793592 /nfs/dbraw/zinc/79/35/92/1136793592.db2.gz BQGCKNFEINUWMN-WDEREUQCSA-N 1 2 330.881 3.739 20 0 EHADLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cnc(Cl)s1 ZINC000817278458 1136793594 /nfs/dbraw/zinc/79/35/94/1136793594.db2.gz BQGCKNFEINUWMN-WDEREUQCSA-N 1 2 330.881 3.739 20 0 EHADLO CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001135899419 1136801561 /nfs/dbraw/zinc/80/15/61/1136801561.db2.gz GOIJZZIFJNFJAZ-FQEVSTJZSA-N 1 2 338.451 3.861 20 0 EHADLO CCCc1ccccc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001135899419 1136801565 /nfs/dbraw/zinc/80/15/65/1136801565.db2.gz GOIJZZIFJNFJAZ-FQEVSTJZSA-N 1 2 338.451 3.861 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@@H]3CCc4cccnc4CC3)cc2)CCO1 ZINC000817584707 1136825297 /nfs/dbraw/zinc/82/52/97/1136825297.db2.gz DIXQUHIYZNOTDE-FUHWJXTLSA-N 1 2 337.467 3.666 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2ccc(F)cc2)cs1)C1CC1 ZINC000114718929 1136826163 /nfs/dbraw/zinc/82/61/63/1136826163.db2.gz DVTZYKSBOOQLTL-UHFFFAOYSA-N 1 2 347.459 3.822 20 0 EHADLO Cc1cc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)ccc1F ZINC001136128220 1136863306 /nfs/dbraw/zinc/86/33/06/1136863306.db2.gz FUMPBDTVQUJJDB-UHFFFAOYSA-N 1 2 335.382 3.625 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000818195289 1136865268 /nfs/dbraw/zinc/86/52/68/1136865268.db2.gz SFUORQLZHUANNZ-UHFFFAOYSA-N 1 2 343.402 3.592 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000818195289 1136865272 /nfs/dbraw/zinc/86/52/72/1136865272.db2.gz SFUORQLZHUANNZ-UHFFFAOYSA-N 1 2 343.402 3.592 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc(C)c(OC)cc2C)s1 ZINC000818355023 1136875323 /nfs/dbraw/zinc/87/53/23/1136875323.db2.gz AETRYJRNRXJWCS-CHWSQXEVSA-N 1 2 348.468 3.967 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339007488 1136910531 /nfs/dbraw/zinc/91/05/31/1136910531.db2.gz NWYJSGQPOWAUKQ-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1=O ZINC000857874437 1136916628 /nfs/dbraw/zinc/91/66/28/1136916628.db2.gz RFEFOPRKMKMZFJ-SJORKVTESA-N 1 2 342.439 3.666 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857976389 1136926916 /nfs/dbraw/zinc/92/69/16/1136926916.db2.gz CTWBNVFFXGHVNP-LLVKDONJSA-N 1 2 346.164 3.543 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986046 1136927325 /nfs/dbraw/zinc/92/73/25/1136927325.db2.gz LAEUGRQQBHHBGK-PBHICJAKSA-N 1 2 326.444 3.523 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010411 1136929415 /nfs/dbraw/zinc/92/94/15/1136929415.db2.gz AGTFLXXUPYWTNT-SFHVURJKSA-N 1 2 340.471 3.780 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010411 1136929417 /nfs/dbraw/zinc/92/94/17/1136929417.db2.gz AGTFLXXUPYWTNT-SFHVURJKSA-N 1 2 340.471 3.780 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037939 1136934491 /nfs/dbraw/zinc/93/44/91/1136934491.db2.gz XTDGIVHWDBQICN-CABCVRRESA-N 1 2 329.444 3.890 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037939 1136934494 /nfs/dbraw/zinc/93/44/94/1136934494.db2.gz XTDGIVHWDBQICN-CABCVRRESA-N 1 2 329.444 3.890 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)COCc1ccccc1Cl ZINC000819408240 1136936682 /nfs/dbraw/zinc/93/66/82/1136936682.db2.gz BZBDIUXOSKZCHE-KRWDZBQOSA-N 1 2 348.874 3.704 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cc(F)ccc1F ZINC000858143355 1136943585 /nfs/dbraw/zinc/94/35/85/1136943585.db2.gz WEASBJVPOCWECO-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)[C@H]2C ZINC001170931604 1136952659 /nfs/dbraw/zinc/95/26/59/1136952659.db2.gz QFFQKJGEKBRDEJ-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)[C@H]2C ZINC001170931604 1136952663 /nfs/dbraw/zinc/95/26/63/1136952663.db2.gz QFFQKJGEKBRDEJ-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cs1 ZINC000858320794 1136958199 /nfs/dbraw/zinc/95/81/99/1136958199.db2.gz JASOVJZQZWZOMZ-INIZCTEOSA-N 1 2 349.887 3.946 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170940997 1136967238 /nfs/dbraw/zinc/96/72/38/1136967238.db2.gz BZJFQRGVKHFCDP-CYBMUJFWSA-N 1 2 345.826 3.983 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170940997 1136967240 /nfs/dbraw/zinc/96/72/40/1136967240.db2.gz BZJFQRGVKHFCDP-CYBMUJFWSA-N 1 2 345.826 3.983 20 0 EHADLO O[C@@H](C[C@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12)c1ccco1 ZINC000858443436 1136968034 /nfs/dbraw/zinc/96/80/34/1136968034.db2.gz CUSLNGKWGWNCJT-KDOFPFPSSA-N 1 2 348.406 3.568 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CCc2ccccc2CC1 ZINC000858727229 1136989095 /nfs/dbraw/zinc/98/90/95/1136989095.db2.gz GMKNCKGVTFMMGO-IBGZPJMESA-N 1 2 339.483 3.609 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)OCc1ccc(Cl)cc1 ZINC000820787497 1137006247 /nfs/dbraw/zinc/00/62/47/1137006247.db2.gz XRKMPZHTRXTMAN-UHFFFAOYSA-N 1 2 341.798 3.952 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CCc2ccccc21 ZINC001136393835 1137010782 /nfs/dbraw/zinc/01/07/82/1137010782.db2.gz AIEXDPDQEJSSQS-MJGOQNOKSA-N 1 2 339.483 3.924 20 0 EHADLO COCC[N@H+](Cc1ccnc(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000859327403 1137011572 /nfs/dbraw/zinc/01/15/72/1137011572.db2.gz PQQSHTIBPKKFDY-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO COCC[N@@H+](Cc1ccnc(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000859327403 1137011574 /nfs/dbraw/zinc/01/15/74/1137011574.db2.gz PQQSHTIBPKKFDY-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO Cn1cc(-c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)cn1 ZINC001136459321 1137030862 /nfs/dbraw/zinc/03/08/62/1137030862.db2.gz QNYZFMJLMFNKGS-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO O=C(Cc1cnccc1Cl)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136460806 1137031053 /nfs/dbraw/zinc/03/10/53/1137031053.db2.gz ODPAFKFXEGPPIC-UHFFFAOYSA-N 1 2 347.205 3.755 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC000859937676 1137037734 /nfs/dbraw/zinc/03/77/34/1137037734.db2.gz JYVOATVYTQRPEF-MRXNPFEDSA-N 1 2 337.341 3.763 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC000859937676 1137037735 /nfs/dbraw/zinc/03/77/35/1137037735.db2.gz JYVOATVYTQRPEF-MRXNPFEDSA-N 1 2 337.341 3.763 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000860042579 1137041588 /nfs/dbraw/zinc/04/15/88/1137041588.db2.gz HEAAWSFLSVQCNQ-HFBOFBSRSA-N 1 2 347.509 3.789 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001136578187 1137057886 /nfs/dbraw/zinc/05/78/86/1137057886.db2.gz DJSXQONHHBPLGB-GOSISDBHSA-N 1 2 345.874 3.913 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000822700336 1137071122 /nfs/dbraw/zinc/07/11/22/1137071122.db2.gz LPJJJYNLSDRUGY-KRWDZBQOSA-N 1 2 331.419 3.973 20 0 EHADLO Cc1cc(NC(=O)[C@H](O)c2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001136624771 1137072858 /nfs/dbraw/zinc/07/28/58/1137072858.db2.gz JAGIWANQZQXRRI-QGZVFWFLSA-N 1 2 341.798 3.506 20 0 EHADLO Cc1cc(NC(=O)Cn2ccc3ccc(F)cc32)ccc1-n1cc[nH+]c1 ZINC001136624819 1137072926 /nfs/dbraw/zinc/07/29/26/1137072926.db2.gz KUUKVOKRVQCRCQ-UHFFFAOYSA-N 1 2 348.381 3.913 20 0 EHADLO Cc1nc2c(cccc2C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)o1 ZINC001136624610 1137072963 /nfs/dbraw/zinc/07/29/63/1137072963.db2.gz BLEIKTUWHXHIKJ-UHFFFAOYSA-N 1 2 332.363 3.883 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)OCCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001136624968 1137073044 /nfs/dbraw/zinc/07/30/44/1137073044.db2.gz RVQPKPTUPMEDIG-QGZVFWFLSA-N 1 2 349.434 3.767 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C(C)C)n1 ZINC000822814763 1137075328 /nfs/dbraw/zinc/07/53/28/1137075328.db2.gz UZRJEBPUTWYUPB-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO CCCCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H](C)CC ZINC001136636436 1137076559 /nfs/dbraw/zinc/07/65/59/1137076559.db2.gz ACKZQGCCYMKNDT-QFBILLFUSA-N 1 2 332.488 3.697 20 0 EHADLO CCCCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H](C)CC ZINC001136636436 1137076561 /nfs/dbraw/zinc/07/65/61/1137076561.db2.gz ACKZQGCCYMKNDT-QFBILLFUSA-N 1 2 332.488 3.697 20 0 EHADLO COC(=O)c1ccccc1OCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805805255 1137078994 /nfs/dbraw/zinc/07/89/94/1137078994.db2.gz ZVVROBXGENXCIB-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1ccccc1OCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000805805255 1137078995 /nfs/dbraw/zinc/07/89/95/1137078995.db2.gz ZVVROBXGENXCIB-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCc3cc(F)ccc32)n1 ZINC000823224082 1137091247 /nfs/dbraw/zinc/09/12/47/1137091247.db2.gz HJJKANFKSBPCJB-INIZCTEOSA-N 1 2 347.459 3.793 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171013213 1137093832 /nfs/dbraw/zinc/09/38/32/1137093832.db2.gz NDPQYXACLVTBTF-APWZRJJASA-N 1 2 343.854 3.571 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171013214 1137093874 /nfs/dbraw/zinc/09/38/74/1137093874.db2.gz NDPQYXACLVTBTF-LPHOPBHVSA-N 1 2 343.854 3.571 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3onc4c3CCCC4)c2)[nH+]c1C ZINC000823353542 1137096057 /nfs/dbraw/zinc/09/60/57/1137096057.db2.gz QYDNBOJTNQDDKA-UHFFFAOYSA-N 1 2 336.395 3.813 20 0 EHADLO C/C(=C\c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1cccc(F)c1 ZINC000823394039 1137097772 /nfs/dbraw/zinc/09/77/72/1137097772.db2.gz SKUWBPGBUCGNOU-ZHZWZMEUSA-N 1 2 347.390 3.501 20 0 EHADLO CC[C@@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823394268 1137097921 /nfs/dbraw/zinc/09/79/21/1137097921.db2.gz XTGJKXPXIIFQKZ-ZFWWWQNUSA-N 1 2 345.443 3.538 20 0 EHADLO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000823404360 1137098324 /nfs/dbraw/zinc/09/83/24/1137098324.db2.gz PURNVMLJWDEIEL-UHFFFAOYSA-N 1 2 326.366 3.647 20 0 EHADLO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000823404360 1137098326 /nfs/dbraw/zinc/09/83/26/1137098326.db2.gz PURNVMLJWDEIEL-UHFFFAOYSA-N 1 2 326.366 3.647 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823423644 1137101041 /nfs/dbraw/zinc/10/10/41/1137101041.db2.gz MJDZXJIQBZUJQX-UHFFFAOYSA-N 1 2 333.838 3.975 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000861349663 1137102411 /nfs/dbraw/zinc/10/24/11/1137102411.db2.gz UZYGRMUWSDTAJZ-GUDVDZBRSA-N 1 2 337.467 3.710 20 0 EHADLO Cc1cc(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000823533131 1137103475 /nfs/dbraw/zinc/10/34/75/1137103475.db2.gz FODGVCJTXIJYHK-HNNXBMFYSA-N 1 2 346.496 3.680 20 0 EHADLO Cc1cc([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1N(C)C ZINC000823533131 1137103476 /nfs/dbraw/zinc/10/34/76/1137103476.db2.gz FODGVCJTXIJYHK-HNNXBMFYSA-N 1 2 346.496 3.680 20 0 EHADLO CS[C@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136793201 1137118600 /nfs/dbraw/zinc/11/86/00/1137118600.db2.gz YOZKAZBASWXDBN-HOTGVXAUSA-N 1 2 341.480 3.651 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000824296956 1137130955 /nfs/dbraw/zinc/13/09/55/1137130955.db2.gz MQVSWCNOVJZYBQ-CQSZACIVSA-N 1 2 326.366 3.698 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)C[C@H]12 ZINC001136856514 1137132534 /nfs/dbraw/zinc/13/25/34/1137132534.db2.gz KOYNKRQSJQUMLU-KOLCDFICSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)C[C@H]12 ZINC001136856514 1137132535 /nfs/dbraw/zinc/13/25/35/1137132535.db2.gz KOYNKRQSJQUMLU-KOLCDFICSA-N 1 2 344.199 3.528 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1OC1CC1 ZINC000862224863 1137133401 /nfs/dbraw/zinc/13/34/01/1137133401.db2.gz MPAFZFJLONUKFL-KRWDZBQOSA-N 1 2 328.412 3.870 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1OC1CC1 ZINC000862224863 1137133402 /nfs/dbraw/zinc/13/34/02/1137133402.db2.gz MPAFZFJLONUKFL-KRWDZBQOSA-N 1 2 328.412 3.870 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@H](O)c2cccs2)[nH+]c1C ZINC000862250311 1137135325 /nfs/dbraw/zinc/13/53/25/1137135325.db2.gz HUSUKRLMYYSCNL-KRWDZBQOSA-N 1 2 341.480 3.824 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)[nH]c1C ZINC000862250311 1137135327 /nfs/dbraw/zinc/13/53/27/1137135327.db2.gz HUSUKRLMYYSCNL-KRWDZBQOSA-N 1 2 341.480 3.824 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)[nH]c1C ZINC000862250311 1137135328 /nfs/dbraw/zinc/13/53/28/1137135328.db2.gz HUSUKRLMYYSCNL-KRWDZBQOSA-N 1 2 341.480 3.824 20 0 EHADLO Clc1cccc2c1CC[C@H]([N@@H+]1CCOC[C@H]1c1cccnc1)C2 ZINC001171056005 1137138418 /nfs/dbraw/zinc/13/84/18/1137138418.db2.gz JMOHZAATQQILEV-LPHOPBHVSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1CC[C@H]([N@H+]1CCOC[C@H]1c1cccnc1)C2 ZINC001171056005 1137138419 /nfs/dbraw/zinc/13/84/19/1137138419.db2.gz JMOHZAATQQILEV-LPHOPBHVSA-N 1 2 328.843 3.666 20 0 EHADLO COCc1csc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000824548831 1137142629 /nfs/dbraw/zinc/14/26/29/1137142629.db2.gz RUGGUOILGYNUJM-SFHVURJKSA-N 1 2 345.464 3.602 20 0 EHADLO COCc1csc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000824548831 1137142630 /nfs/dbraw/zinc/14/26/30/1137142630.db2.gz RUGGUOILGYNUJM-SFHVURJKSA-N 1 2 345.464 3.602 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC000824672913 1137147626 /nfs/dbraw/zinc/14/76/26/1137147626.db2.gz KJFSEYOQFQFMDM-AWEZNQCLSA-N 1 2 328.403 3.633 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cn2)CCCN1C(=O)OC(C)(C)C ZINC001136931630 1137150445 /nfs/dbraw/zinc/15/04/45/1137150445.db2.gz LGANIBFHOQDOLN-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cn2)CCCN1C(=O)OC(C)(C)C ZINC001136931630 1137150447 /nfs/dbraw/zinc/15/04/47/1137150447.db2.gz LGANIBFHOQDOLN-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000794443940 1137154335 /nfs/dbraw/zinc/15/43/35/1137154335.db2.gz KSHBTCQWYMBGEE-HNNXBMFYSA-N 1 2 340.858 3.963 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000794443940 1137154337 /nfs/dbraw/zinc/15/43/37/1137154337.db2.gz KSHBTCQWYMBGEE-HNNXBMFYSA-N 1 2 340.858 3.963 20 0 EHADLO Cc1c(NC(=O)C[NH+]2CC(C)(C)C2)cccc1NC(=O)OC(C)(C)C ZINC000862718645 1137154525 /nfs/dbraw/zinc/15/45/25/1137154525.db2.gz KBMMTONLZHFNEV-UHFFFAOYSA-N 1 2 347.459 3.622 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@@H]1F ZINC001171074441 1137166951 /nfs/dbraw/zinc/16/69/51/1137166951.db2.gz QPTOFTXAFMPXSA-DOMZBBRYSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@@H]1F ZINC001171074441 1137166952 /nfs/dbraw/zinc/16/69/52/1137166952.db2.gz QPTOFTXAFMPXSA-DOMZBBRYSA-N 1 2 330.230 3.854 20 0 EHADLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2cnc(OC)c(C)c2)cc1 ZINC001137004486 1137168916 /nfs/dbraw/zinc/16/89/16/1137168916.db2.gz AULCBKQCEZRUDK-GOSISDBHSA-N 1 2 344.480 3.697 20 0 EHADLO COc1ccc([C@H]2CSCC[N@H+]2Cc2cnc(OC)c(C)c2)cc1 ZINC001137004486 1137168917 /nfs/dbraw/zinc/16/89/17/1137168917.db2.gz AULCBKQCEZRUDK-GOSISDBHSA-N 1 2 344.480 3.697 20 0 EHADLO COc1ncc(C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc1C ZINC001137006512 1137169387 /nfs/dbraw/zinc/16/93/87/1137169387.db2.gz UOTGACMVZUPSTG-QGZVFWFLSA-N 1 2 332.444 3.828 20 0 EHADLO COc1ncc(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc1C ZINC001137006512 1137169388 /nfs/dbraw/zinc/16/93/88/1137169388.db2.gz UOTGACMVZUPSTG-QGZVFWFLSA-N 1 2 332.444 3.828 20 0 EHADLO c1ccc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)COC3)nc1 ZINC001137027170 1137175191 /nfs/dbraw/zinc/17/51/91/1137175191.db2.gz HWUJYKBEYLFRJY-UHFFFAOYSA-N 1 2 331.419 3.709 20 0 EHADLO c1ccc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)COC3)nc1 ZINC001137027170 1137175192 /nfs/dbraw/zinc/17/51/92/1137175192.db2.gz HWUJYKBEYLFRJY-UHFFFAOYSA-N 1 2 331.419 3.709 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863255603 1137178191 /nfs/dbraw/zinc/17/81/91/1137178191.db2.gz FGZCKLHISIYBDN-INIZCTEOSA-N 1 2 325.456 3.604 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341509 1137181839 /nfs/dbraw/zinc/18/18/39/1137181839.db2.gz RSJMHLFLHRNCAO-KJPDOMRESA-N 1 2 345.516 3.821 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341509 1137181841 /nfs/dbraw/zinc/18/18/41/1137181841.db2.gz RSJMHLFLHRNCAO-KJPDOMRESA-N 1 2 345.516 3.821 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342196 1137182051 /nfs/dbraw/zinc/18/20/51/1137182051.db2.gz YQRAKAYXOHZEEX-SFAKSCPVSA-N 1 2 338.546 3.910 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342196 1137182052 /nfs/dbraw/zinc/18/20/52/1137182052.db2.gz YQRAKAYXOHZEEX-SFAKSCPVSA-N 1 2 338.546 3.910 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143629083 1137184168 /nfs/dbraw/zinc/18/41/68/1137184168.db2.gz RSFQCKZLARMIQW-LBPRGKRZSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143629083 1137184170 /nfs/dbraw/zinc/18/41/70/1137184170.db2.gz RSFQCKZLARMIQW-LBPRGKRZSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC001143672590 1137188291 /nfs/dbraw/zinc/18/82/91/1137188291.db2.gz MKQTWPQVDHWOKW-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@]1(C)O ZINC001143698852 1137190607 /nfs/dbraw/zinc/19/06/07/1137190607.db2.gz MGJPVLZSVVNKHS-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@]1(C)O ZINC001143698852 1137190609 /nfs/dbraw/zinc/19/06/09/1137190609.db2.gz MGJPVLZSVVNKHS-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)C1 ZINC000119569345 1137197932 /nfs/dbraw/zinc/19/79/32/1137197932.db2.gz DVUAPGVLQYQYBX-ZDUSSCGKSA-N 1 2 329.473 3.500 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)C1 ZINC000119569345 1137197933 /nfs/dbraw/zinc/19/79/33/1137197933.db2.gz DVUAPGVLQYQYBX-ZDUSSCGKSA-N 1 2 329.473 3.500 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C3(c4cccc(C)c4)CC3)no2)c1 ZINC000863675273 1137198590 /nfs/dbraw/zinc/19/85/90/1137198590.db2.gz QXVPQSWEXRKMKI-KRWDZBQOSA-N 1 2 335.407 3.515 20 0 EHADLO c1cn(Cc2cccc(-c3ccc(NC[C@H]4CCCO4)nc3)c2)c[nH+]1 ZINC000863689815 1137199498 /nfs/dbraw/zinc/19/94/98/1137199498.db2.gz GFSYNYAUQDDDRG-LJQANCHMSA-N 1 2 334.423 3.584 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844131564 1137199969 /nfs/dbraw/zinc/19/99/69/1137199969.db2.gz QWVUIDYZRJTSJM-ICSRJNTNSA-N 1 2 337.467 3.883 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1Br ZINC001143819714 1137201242 /nfs/dbraw/zinc/20/12/42/1137201242.db2.gz KJLGSDBNAUXQMG-GFCCVEGCSA-N 1 2 338.142 3.958 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1Br ZINC001143819714 1137201243 /nfs/dbraw/zinc/20/12/43/1137201243.db2.gz KJLGSDBNAUXQMG-GFCCVEGCSA-N 1 2 338.142 3.958 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)[C@@H]1C ZINC001143860537 1137205134 /nfs/dbraw/zinc/20/51/34/1137205134.db2.gz QCXSQYJLEYFGGA-ZJUUUORDSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)[C@@H]1C ZINC001143860537 1137205136 /nfs/dbraw/zinc/20/51/36/1137205136.db2.gz QCXSQYJLEYFGGA-ZJUUUORDSA-N 1 2 334.218 3.906 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2c(Cl)ccc(OC)c2F)CC1 ZINC001143897247 1137210793 /nfs/dbraw/zinc/21/07/93/1137210793.db2.gz BDRBLEVLHKDHHA-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCC(c3nnc(C)o3)CC2)c1F ZINC001143899006 1137211217 /nfs/dbraw/zinc/21/12/17/1137211217.db2.gz GVLKPQDSNPNJJX-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(F)c1F ZINC001143910036 1137212122 /nfs/dbraw/zinc/21/21/22/1137212122.db2.gz AHYRWNIUBDGNRU-UHFFFAOYSA-N 1 2 341.398 3.527 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21)c1ncc(F)cn1 ZINC001171119689 1137213902 /nfs/dbraw/zinc/21/39/02/1137213902.db2.gz VPMOXHVACOAZAT-SSDOTTSWSA-N 1 2 325.269 3.684 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)o1 ZINC001143958500 1137218812 /nfs/dbraw/zinc/21/88/12/1137218812.db2.gz FLZPUWVINHXGTG-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)o1 ZINC001143958500 1137218813 /nfs/dbraw/zinc/21/88/13/1137218813.db2.gz FLZPUWVINHXGTG-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421468 1137219474 /nfs/dbraw/zinc/21/94/74/1137219474.db2.gz IAHAPFWPVGMYJA-NHYWBVRUSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421468 1137219477 /nfs/dbraw/zinc/21/94/77/1137219477.db2.gz IAHAPFWPVGMYJA-NHYWBVRUSA-N 1 2 330.255 3.670 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794619308 1137221017 /nfs/dbraw/zinc/22/10/17/1137221017.db2.gz HWBKJYBJHSADAN-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794619308 1137221018 /nfs/dbraw/zinc/22/10/18/1137221018.db2.gz HWBKJYBJHSADAN-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000794674449 1137224960 /nfs/dbraw/zinc/22/49/60/1137224960.db2.gz ZAUYHMRPYNCHNU-QGZVFWFLSA-N 1 2 330.859 3.645 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000794674449 1137224961 /nfs/dbraw/zinc/22/49/61/1137224961.db2.gz ZAUYHMRPYNCHNU-QGZVFWFLSA-N 1 2 330.859 3.645 20 0 EHADLO Cc1ccc(Br)cc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844475173 1137227544 /nfs/dbraw/zinc/22/75/44/1137227544.db2.gz XPEMYLHHPCVNAS-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144135236 1137242717 /nfs/dbraw/zinc/24/27/17/1137242717.db2.gz UHXYIROLHOUFAK-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144135236 1137242719 /nfs/dbraw/zinc/24/27/19/1137242719.db2.gz UHXYIROLHOUFAK-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1Cl ZINC001144129911 1137244431 /nfs/dbraw/zinc/24/44/31/1137244431.db2.gz VROKQHNFOIDYDE-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cc1Cl ZINC001144129911 1137244433 /nfs/dbraw/zinc/24/44/33/1137244433.db2.gz VROKQHNFOIDYDE-UHFFFAOYSA-N 1 2 349.812 3.886 20 0 EHADLO COc1ccc(C(F)(F)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000120224660 1137245096 /nfs/dbraw/zinc/24/50/96/1137245096.db2.gz FXBIZHBREOYJSF-UHFFFAOYSA-N 1 2 343.333 3.611 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844746069 1137249514 /nfs/dbraw/zinc/24/95/14/1137249514.db2.gz IIYUYBSPIFOGCT-SFHVURJKSA-N 1 2 328.362 3.879 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844746069 1137249516 /nfs/dbraw/zinc/24/95/16/1137249516.db2.gz IIYUYBSPIFOGCT-SFHVURJKSA-N 1 2 328.362 3.879 20 0 EHADLO Fc1ccc(N2CCC[N@H+](Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144205930 1137253995 /nfs/dbraw/zinc/25/39/95/1137253995.db2.gz QKRQEERZDAXOFK-UHFFFAOYSA-N 1 2 342.393 3.553 20 0 EHADLO Fc1ccc(N2CCC[N@@H+](Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144205930 1137253996 /nfs/dbraw/zinc/25/39/96/1137253996.db2.gz QKRQEERZDAXOFK-UHFFFAOYSA-N 1 2 342.393 3.553 20 0 EHADLO CCOC1CC2(C[C@@H]2C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000864993742 1137257066 /nfs/dbraw/zinc/25/70/66/1137257066.db2.gz RZMRBFQJEDOFEP-OHTSDLOESA-N 1 2 339.439 3.837 20 0 EHADLO CC[C@H](C)Sc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)c(C)c1 ZINC000865070901 1137261468 /nfs/dbraw/zinc/26/14/68/1137261468.db2.gz MIQJYXJMUYKANY-JFDDCEBESA-N 1 2 348.512 3.713 20 0 EHADLO CCOCCCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000865173751 1137266820 /nfs/dbraw/zinc/26/68/20/1137266820.db2.gz CNDRVDGMVRCROG-KRWDZBQOSA-N 1 2 348.487 3.615 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@]23C[C@H]2CCCC3)c1)[NH+]1CCOCC1 ZINC000865174261 1137267075 /nfs/dbraw/zinc/26/70/75/1137267075.db2.gz UJNPIKYREGDLCI-WRWLIDTKSA-N 1 2 328.456 3.599 20 0 EHADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344947 1137276454 /nfs/dbraw/zinc/27/64/54/1137276454.db2.gz MODGCZFTMWXDER-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344947 1137276455 /nfs/dbraw/zinc/27/64/55/1137276455.db2.gz MODGCZFTMWXDER-CYBMUJFWSA-N 1 2 348.368 3.693 20 0 EHADLO COC[C@H]([NH2+]Cc1cccnc1F)c1cccc(C(F)(F)F)c1 ZINC000794836619 1137276506 /nfs/dbraw/zinc/27/65/06/1137276506.db2.gz ROODHTBWBOPXDH-AWEZNQCLSA-N 1 2 328.309 3.717 20 0 EHADLO C[C@H](CC(=O)OCCc1cccc(OC(F)(F)F)c1)n1cc[nH+]c1 ZINC000845281168 1137283197 /nfs/dbraw/zinc/28/31/97/1137283197.db2.gz GUYLQKAJBRLGFN-GFCCVEGCSA-N 1 2 342.317 3.519 20 0 EHADLO C[C@H](CC(=O)OCCOc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000845279679 1137283233 /nfs/dbraw/zinc/28/32/33/1137283233.db2.gz XNGPUDMLAXKHEC-LLVKDONJSA-N 1 2 343.210 3.763 20 0 EHADLO CC[C@@H](C)c1ccc(C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845279797 1137283385 /nfs/dbraw/zinc/28/33/85/1137283385.db2.gz OVCACXXLNUSZCR-HUUCEWRRSA-N 1 2 328.412 3.774 20 0 EHADLO CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845283137 1137283592 /nfs/dbraw/zinc/28/35/92/1137283592.db2.gz TXNYTDFUYORMEQ-LSDHHAIUSA-N 1 2 328.412 3.772 20 0 EHADLO O=S1(=O)C[C@H]([NH2+]Cc2cccc(CC3CCC3)c2)c2ccccc21 ZINC000865487504 1137288163 /nfs/dbraw/zinc/28/81/63/1137288163.db2.gz FIPSGMGVWWGESJ-IBGZPJMESA-N 1 2 341.476 3.647 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc(C)c1Br)c1c(C)noc1C ZINC000865512644 1137290376 /nfs/dbraw/zinc/29/03/76/1137290376.db2.gz RCBYJIXLJGOCAG-GFCCVEGCSA-N 1 2 338.249 3.998 20 0 EHADLO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1cccnc1Br ZINC000865538196 1137292999 /nfs/dbraw/zinc/29/29/99/1137292999.db2.gz ITKPKXSUWYPVEK-CYBMUJFWSA-N 1 2 337.192 3.597 20 0 EHADLO CC[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000845473756 1137294223 /nfs/dbraw/zinc/29/42/23/1137294223.db2.gz INNPTHFOFGNAGP-INIZCTEOSA-N 1 2 334.366 3.735 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865555228 1137294654 /nfs/dbraw/zinc/29/46/54/1137294654.db2.gz VGXDQGLCESMDDP-OAHLLOKOSA-N 1 2 348.244 3.594 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)c2nccn21 ZINC000865591760 1137297471 /nfs/dbraw/zinc/29/74/71/1137297471.db2.gz KXPPLWNFWFSOJU-CABZTGNLSA-N 1 2 329.297 3.716 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000865623194 1137299619 /nfs/dbraw/zinc/29/96/19/1137299619.db2.gz JFAWUHXXILDROC-UHFFFAOYSA-N 1 2 337.254 3.673 20 0 EHADLO COCCn1nc(C)cc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614840 1137300394 /nfs/dbraw/zinc/30/03/94/1137300394.db2.gz XDZZXVBMQPQJLE-UHFFFAOYSA-N 1 2 343.475 3.745 20 0 EHADLO Cc1cc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000845627981 1137301573 /nfs/dbraw/zinc/30/15/73/1137301573.db2.gz VSAODKDRKVGZQI-LJQANCHMSA-N 1 2 343.858 3.804 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCC[C@@H]1CC1(Cl)Cl ZINC000845747405 1137308221 /nfs/dbraw/zinc/30/82/21/1137308221.db2.gz YESIPQQOLZILFP-SNVBAGLBSA-N 1 2 342.274 3.967 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CCC[C@H](CC(C)C)C3)n2c(C)c1C ZINC000120753632 1137312809 /nfs/dbraw/zinc/31/28/09/1137312809.db2.gz BLWQQLHBZXXDJG-MRXNPFEDSA-N 1 2 347.532 3.901 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CCC[C@H](CC(C)C)C3)n2c(C)c1C ZINC000120753632 1137312811 /nfs/dbraw/zinc/31/28/11/1137312811.db2.gz BLWQQLHBZXXDJG-MRXNPFEDSA-N 1 2 347.532 3.901 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(C)n1)c1cccc(Br)c1 ZINC000865823068 1137314320 /nfs/dbraw/zinc/31/43/20/1137314320.db2.gz BFFCZPOOUSIDJR-AWEZNQCLSA-N 1 2 341.274 3.691 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@H](C)c3ccnn3C)cs2)cc1 ZINC000865838206 1137315846 /nfs/dbraw/zinc/31/58/46/1137315846.db2.gz FRBGITULZRMXKF-CQSZACIVSA-N 1 2 342.468 3.615 20 0 EHADLO FC1(F)C[C@@]12CCCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000865911271 1137319853 /nfs/dbraw/zinc/31/98/53/1137319853.db2.gz QLXSNAQYJYZMGD-QGZVFWFLSA-N 1 2 330.382 3.714 20 0 EHADLO FC1(F)C[C@@]12CCCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000865911271 1137319855 /nfs/dbraw/zinc/31/98/55/1137319855.db2.gz QLXSNAQYJYZMGD-QGZVFWFLSA-N 1 2 330.382 3.714 20 0 EHADLO CC(C)(CNc1nc(C(F)(F)F)nc2ccccc21)n1cc[nH+]c1 ZINC000865946852 1137321689 /nfs/dbraw/zinc/32/16/89/1137321689.db2.gz PXQQJNUGBGBDIZ-UHFFFAOYSA-N 1 2 335.333 3.692 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144648802 1137322272 /nfs/dbraw/zinc/32/22/72/1137322272.db2.gz XWNQKRCHIPSSLT-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3cnccc3o2)C[C@@](C)(C(F)(F)F)O1 ZINC000845977897 1137322974 /nfs/dbraw/zinc/32/29/74/1137322974.db2.gz RXIAKPFOHOOBES-HNNXBMFYSA-N 1 2 328.334 3.760 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3cnccc3o2)C[C@@](C)(C(F)(F)F)O1 ZINC000845977897 1137322976 /nfs/dbraw/zinc/32/29/76/1137322976.db2.gz RXIAKPFOHOOBES-HNNXBMFYSA-N 1 2 328.334 3.760 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc2cnccc2o1 ZINC000845957954 1137323584 /nfs/dbraw/zinc/32/35/84/1137323584.db2.gz UIYPYBPCGPXQKY-OKILXGFUSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc2cnccc2o1 ZINC000845957954 1137323585 /nfs/dbraw/zinc/32/35/85/1137323585.db2.gz UIYPYBPCGPXQKY-OKILXGFUSA-N 1 2 345.443 3.658 20 0 EHADLO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(O)cc2F)c1 ZINC001144663233 1137324303 /nfs/dbraw/zinc/32/43/03/1137324303.db2.gz ACXXLOGYDXVRCU-KRWDZBQOSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(O)cc2F)c1 ZINC001144663233 1137324304 /nfs/dbraw/zinc/32/43/04/1137324304.db2.gz ACXXLOGYDXVRCU-KRWDZBQOSA-N 1 2 347.361 3.794 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144666704 1137325083 /nfs/dbraw/zinc/32/50/83/1137325083.db2.gz MJSKEDNCZXGEDN-MRXNPFEDSA-N 1 2 349.377 3.722 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144666704 1137325084 /nfs/dbraw/zinc/32/50/84/1137325084.db2.gz MJSKEDNCZXGEDN-MRXNPFEDSA-N 1 2 349.377 3.722 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc1F ZINC001144663922 1137325122 /nfs/dbraw/zinc/32/51/22/1137325122.db2.gz OAFXPTZVDNIRNQ-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cc1F ZINC001144663922 1137325124 /nfs/dbraw/zinc/32/51/24/1137325124.db2.gz OAFXPTZVDNIRNQ-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO COCc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC000846117289 1137334275 /nfs/dbraw/zinc/33/42/75/1137334275.db2.gz MKVYTSQGKBKEDT-MQVJKMGUSA-N 1 2 347.459 3.570 20 0 EHADLO O=C(Cc1ccc(C2CC2)cc1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001144719759 1137335109 /nfs/dbraw/zinc/33/51/09/1137335109.db2.gz YUMJGQANZHSHJE-UHFFFAOYSA-N 1 2 331.419 3.990 20 0 EHADLO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866234046 1137337343 /nfs/dbraw/zinc/33/73/43/1137337343.db2.gz KFUMCFLNYCWULW-FXAWDEMLSA-N 1 2 342.414 3.987 20 0 EHADLO CCc1nnc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)o1 ZINC001144729233 1137337476 /nfs/dbraw/zinc/33/74/76/1137337476.db2.gz GCUBWTGBIQNRQT-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144732424 1137339611 /nfs/dbraw/zinc/33/96/11/1137339611.db2.gz UOHCCOZHZKAECL-UHFFFAOYSA-N 1 2 344.833 3.745 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2cn[nH]n2)cc1 ZINC000846212588 1137343720 /nfs/dbraw/zinc/34/37/20/1137343720.db2.gz FTABXARDGKPTTJ-RISCZKNCSA-N 1 2 343.233 3.597 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)c2c[nH]nn2)cc1 ZINC000846212588 1137343722 /nfs/dbraw/zinc/34/37/22/1137343722.db2.gz FTABXARDGKPTTJ-RISCZKNCSA-N 1 2 343.233 3.597 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(Cl)n1 ZINC000846655544 1137360556 /nfs/dbraw/zinc/36/05/56/1137360556.db2.gz QECDFCIHVUOLCM-HDJSIYSDSA-N 1 2 344.846 3.592 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nn(C)cc2C(F)F)C(C)C)c(F)c1 ZINC000866568552 1137365644 /nfs/dbraw/zinc/36/56/44/1137365644.db2.gz XVAKCPRGGZMJPZ-MRXNPFEDSA-N 1 2 341.377 3.992 20 0 EHADLO Fc1cncc([C@H]([NH2+]Cc2ncc(Br)s2)C2CC2)c1 ZINC000866621020 1137370461 /nfs/dbraw/zinc/37/04/61/1137370461.db2.gz WZGAMKHOAHRKDQ-CYBMUJFWSA-N 1 2 342.237 3.681 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(F)F)cc2F)c1C ZINC000846846343 1137371704 /nfs/dbraw/zinc/37/17/04/1137371704.db2.gz URRZLSPHZPMBTP-UHFFFAOYSA-N 1 2 338.329 3.714 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3cnc(Cl)c(F)c3)CC2)c1 ZINC000846882195 1137373455 /nfs/dbraw/zinc/37/34/55/1137373455.db2.gz AICSOLTVJUDETD-UHFFFAOYSA-N 1 2 348.849 3.752 20 0 EHADLO CC(=O)C1CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000846950766 1137378257 /nfs/dbraw/zinc/37/82/57/1137378257.db2.gz MBXLLAQPXLFCSM-LLVKDONJSA-N 1 2 333.819 3.752 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000847022346 1137383117 /nfs/dbraw/zinc/38/31/17/1137383117.db2.gz XVPQXDFTRWKTFJ-IRVMHKCDSA-N 1 2 339.439 3.622 20 0 EHADLO CN(c1ccc(Nc2cccc(C(N)=O)c2F)c[nH+]1)C1CCCCC1 ZINC001212615106 1137386026 /nfs/dbraw/zinc/38/60/26/1137386026.db2.gz HSJVURIHECYRIA-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941530 1137397419 /nfs/dbraw/zinc/39/74/19/1137397419.db2.gz WJJCPBNYVNUBKD-CZUORRHYSA-N 1 2 343.496 3.698 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941530 1137397420 /nfs/dbraw/zinc/39/74/20/1137397420.db2.gz WJJCPBNYVNUBKD-CZUORRHYSA-N 1 2 343.496 3.698 20 0 EHADLO CCC[C@H]([NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OCC ZINC001171299982 1137402004 /nfs/dbraw/zinc/40/20/04/1137402004.db2.gz UCUQSYGFPPFXEN-WBMJQRKESA-N 1 2 339.863 3.527 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001147322845 1137404434 /nfs/dbraw/zinc/40/44/34/1137404434.db2.gz CYVQPFYHTWWANN-UHFFFAOYSA-N 1 2 336.395 3.502 20 0 EHADLO CCSc1ccccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC001171321552 1137418667 /nfs/dbraw/zinc/41/86/67/1137418667.db2.gz OUBZKJALVPNREE-UHFFFAOYSA-N 1 2 328.481 3.547 20 0 EHADLO CCSc1ccccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC001171321552 1137418668 /nfs/dbraw/zinc/41/86/68/1137418668.db2.gz OUBZKJALVPNREE-UHFFFAOYSA-N 1 2 328.481 3.547 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)n1cc[nH+]c1 ZINC001148517174 1137426254 /nfs/dbraw/zinc/42/62/54/1137426254.db2.gz OWHAYPRLOULMOI-AWEZNQCLSA-N 1 2 349.797 3.778 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(F)c3ccccc23)c1C ZINC000795056677 1137439130 /nfs/dbraw/zinc/43/91/30/1137439130.db2.gz IPGWIHFKHFLBMJ-UHFFFAOYSA-N 1 2 338.382 3.929 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282771649 1137447537 /nfs/dbraw/zinc/44/75/37/1137447537.db2.gz HUTCJMPVSZOITQ-MRXNPFEDSA-N 1 2 338.455 3.939 20 0 EHADLO O=C(C[N@@H+]1CCCC2(CCC2)C1)Nc1nc(-c2ccco2)cs1 ZINC000348194878 1137449509 /nfs/dbraw/zinc/44/95/09/1137449509.db2.gz UDYFPSBTYGWZFV-UHFFFAOYSA-N 1 2 331.441 3.608 20 0 EHADLO O=C(C[N@H+]1CCCC2(CCC2)C1)Nc1nc(-c2ccco2)cs1 ZINC000348194878 1137449510 /nfs/dbraw/zinc/44/95/10/1137449510.db2.gz UDYFPSBTYGWZFV-UHFFFAOYSA-N 1 2 331.441 3.608 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)ccc1SC ZINC000282825931 1137452906 /nfs/dbraw/zinc/45/29/06/1137452906.db2.gz SBEKHZXDUKYIRG-LBPRGKRZSA-N 1 2 334.489 3.614 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)ccc1SC ZINC000282825927 1137452914 /nfs/dbraw/zinc/45/29/14/1137452914.db2.gz SBEKHZXDUKYIRG-GFCCVEGCSA-N 1 2 334.489 3.614 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000339092027 1137457685 /nfs/dbraw/zinc/45/76/85/1137457685.db2.gz SORORJJKOVGASO-QGZVFWFLSA-N 1 2 331.435 3.786 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@@H](c1cccnc1)C1CCCCC1 ZINC000869774832 1137465781 /nfs/dbraw/zinc/46/57/81/1137465781.db2.gz HCNDNYPGSXJISZ-GOSISDBHSA-N 1 2 327.428 3.576 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714015363 1137471402 /nfs/dbraw/zinc/47/14/02/1137471402.db2.gz LNDKCBCWUZUKEP-UHFFFAOYSA-N 1 2 349.200 3.797 20 0 EHADLO CC(C)Oc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714949910 1137475105 /nfs/dbraw/zinc/47/51/05/1137475105.db2.gz GEHUSGJTLRFIJZ-UHFFFAOYSA-N 1 2 341.274 3.983 20 0 EHADLO CCCc1cc(NCc2ccc(-n3cccn3)nc2)nc(CCC)[nH+]1 ZINC001171433644 1137481546 /nfs/dbraw/zinc/48/15/46/1137481546.db2.gz SHSFTZRROGAGLY-UHFFFAOYSA-N 1 2 336.443 3.574 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)[C@H](CC)CSC)C1 ZINC000773255761 1137481699 /nfs/dbraw/zinc/48/16/99/1137481699.db2.gz OXYZDRHLVROSPN-UONOGXRCSA-N 1 2 342.574 3.846 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)[C@H](CC)CSC)C1 ZINC000773255761 1137481700 /nfs/dbraw/zinc/48/17/00/1137481700.db2.gz OXYZDRHLVROSPN-UONOGXRCSA-N 1 2 342.574 3.846 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)[C@@H](C)CC ZINC001171511766 1137495188 /nfs/dbraw/zinc/49/51/88/1137495188.db2.gz JABUCYQOLIYQMH-BFCNOCSMSA-N 1 2 343.389 3.529 20 0 EHADLO Cc1nc(-c2ccccc2)oc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000870603081 1137501717 /nfs/dbraw/zinc/50/17/17/1137501717.db2.gz DZGLCENYHXBYLY-CYBMUJFWSA-N 1 2 325.368 3.541 20 0 EHADLO CC[C@@H]1c2ccc(OC)c(OC)c2CCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001171734310 1137510383 /nfs/dbraw/zinc/51/03/83/1137510383.db2.gz FOODFTISVWFDQV-MRXNPFEDSA-N 1 2 329.444 3.553 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCc3sccc32)c1C ZINC000123360524 1137512688 /nfs/dbraw/zinc/51/26/88/1137512688.db2.gz DSEOCCSDRXRNTF-CQSZACIVSA-N 1 2 330.453 3.505 20 0 EHADLO Fc1cccc2c1C[C@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001171794605 1137512864 /nfs/dbraw/zinc/51/28/64/1137512864.db2.gz RNOSCBOHEDNBBF-MUPIXQSSSA-N 1 2 336.454 3.624 20 0 EHADLO Fc1cccc2c1C[C@H]([N@@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001171808969 1137514353 /nfs/dbraw/zinc/51/43/53/1137514353.db2.gz GVURSJLVLLJESU-QGZVFWFLSA-N 1 2 333.410 3.672 20 0 EHADLO Fc1cccc2c1C[C@H]([N@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001171808969 1137514354 /nfs/dbraw/zinc/51/43/54/1137514354.db2.gz GVURSJLVLLJESU-QGZVFWFLSA-N 1 2 333.410 3.672 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2Cc3ncsc3C2)CC12CCC2 ZINC001171854271 1137516139 /nfs/dbraw/zinc/51/61/39/1137516139.db2.gz DIMGBUYDILQJQM-ZDUSSCGKSA-N 1 2 349.500 3.781 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2Cc3ncsc3C2)CC12CCC2 ZINC001171854271 1137516140 /nfs/dbraw/zinc/51/61/40/1137516140.db2.gz DIMGBUYDILQJQM-ZDUSSCGKSA-N 1 2 349.500 3.781 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001171959328 1137519230 /nfs/dbraw/zinc/51/92/30/1137519230.db2.gz VWZHVRFXGZSPMY-BXUZGUMPSA-N 1 2 331.378 3.814 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000871247899 1137528914 /nfs/dbraw/zinc/52/89/14/1137528914.db2.gz ARDRSNQAQBYQNB-KUHUBIRLSA-N 1 2 347.409 3.736 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172358297 1137554534 /nfs/dbraw/zinc/55/45/34/1137554534.db2.gz GEOCWXDZRKMUFJ-IKGGRYGDSA-N 1 2 332.479 3.776 20 0 EHADLO C[C@H](OC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1)c1ccc(Cl)cc1 ZINC000871989548 1137564153 /nfs/dbraw/zinc/56/41/53/1137564153.db2.gz OKMGKPMCPZJBSO-XJKSGUPXSA-N 1 2 336.863 3.973 20 0 EHADLO CC(F)(F)C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872071968 1137569760 /nfs/dbraw/zinc/56/97/60/1137569760.db2.gz BBZHRAZZUKAIRI-AAEUAGOBSA-N 1 2 334.204 3.772 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc2S1 ZINC000872082710 1137570283 /nfs/dbraw/zinc/57/02/83/1137570283.db2.gz AAJNKWBQUYEKET-KGLIPLIRSA-N 1 2 344.484 3.762 20 0 EHADLO COC[C@@]1(c2nc(C(C)(C)c3ccc(Cl)cc3)no2)CCCC[NH2+]1 ZINC000872182376 1137575535 /nfs/dbraw/zinc/57/55/35/1137575535.db2.gz KNHOWPMTAKMSNX-GOSISDBHSA-N 1 2 349.862 3.664 20 0 EHADLO C[N@H+](Cc1ccc(N2CCCC2)o1)Cc1ncccc1C(F)(F)F ZINC001137060697 1137581261 /nfs/dbraw/zinc/58/12/61/1137581261.db2.gz ARDWVUPIJHOYSV-UHFFFAOYSA-N 1 2 339.361 3.926 20 0 EHADLO C[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1ncccc1C(F)(F)F ZINC001137060697 1137581262 /nfs/dbraw/zinc/58/12/62/1137581262.db2.gz ARDWVUPIJHOYSV-UHFFFAOYSA-N 1 2 339.361 3.926 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)on1 ZINC000872561596 1137581467 /nfs/dbraw/zinc/58/14/67/1137581467.db2.gz WHHAMRHYPAIDGD-QGZVFWFLSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)on1 ZINC000872561596 1137581468 /nfs/dbraw/zinc/58/14/68/1137581468.db2.gz WHHAMRHYPAIDGD-QGZVFWFLSA-N 1 2 326.375 3.780 20 0 EHADLO CC(C)(O)[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000872672386 1137582628 /nfs/dbraw/zinc/58/26/28/1137582628.db2.gz NQAOMLLGTSNCSA-CYBMUJFWSA-N 1 2 349.272 3.985 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000872701334 1137582940 /nfs/dbraw/zinc/58/29/40/1137582940.db2.gz UUIANWRPSFWQNA-LBPRGKRZSA-N 1 2 334.407 3.788 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000872701334 1137582941 /nfs/dbraw/zinc/58/29/41/1137582941.db2.gz UUIANWRPSFWQNA-LBPRGKRZSA-N 1 2 334.407 3.788 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3nc4cc(F)ccc4o3)cc2)CC1 ZINC000873018303 1137588136 /nfs/dbraw/zinc/58/81/36/1137588136.db2.gz KQVMQVVHSXVMIE-UHFFFAOYSA-N 1 2 341.386 3.540 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000873129096 1137590741 /nfs/dbraw/zinc/59/07/41/1137590741.db2.gz GUVCOBXZKCRNAA-GWCFXTLKSA-N 1 2 338.224 3.889 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000873162555 1137592007 /nfs/dbraw/zinc/59/20/07/1137592007.db2.gz DXWUVAYPPPLWMJ-UHFFFAOYSA-N 1 2 348.468 3.656 20 0 EHADLO C[C@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)Cc2ccccc21 ZINC000873819826 1137607005 /nfs/dbraw/zinc/60/70/05/1137607005.db2.gz SDBKCCARORNZGC-SWLSCSKDSA-N 1 2 337.345 3.523 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccn1Cc1ccccc1 ZINC000874346692 1137613236 /nfs/dbraw/zinc/61/32/36/1137613236.db2.gz QDPOEVOIJMVPBR-IBGZPJMESA-N 1 2 348.450 3.519 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000876083161 1137643842 /nfs/dbraw/zinc/64/38/42/1137643842.db2.gz ZVODNTVSNCLKPA-CYBMUJFWSA-N 1 2 346.397 3.598 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000876221393 1137646521 /nfs/dbraw/zinc/64/65/21/1137646521.db2.gz GFWCABZLOJNRLA-ZBFHGGJFSA-N 1 2 344.459 3.566 20 0 EHADLO CCCn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C(C)(C)C)nn1 ZINC000876575961 1137656073 /nfs/dbraw/zinc/65/60/73/1137656073.db2.gz ZNWWYPRJDSTZGO-UHFFFAOYSA-N 1 2 346.475 3.506 20 0 EHADLO CCCn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C(C)(C)C)nn1 ZINC000876575961 1137656074 /nfs/dbraw/zinc/65/60/74/1137656074.db2.gz ZNWWYPRJDSTZGO-UHFFFAOYSA-N 1 2 346.475 3.506 20 0 EHADLO ClC1(Cl)C[C@@H]1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000876850791 1137663631 /nfs/dbraw/zinc/66/36/31/1137663631.db2.gz BZSFXQMOIQSJOG-GFCCVEGCSA-N 1 2 326.227 3.568 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000876939784 1137665870 /nfs/dbraw/zinc/66/58/70/1137665870.db2.gz LUXLOLYXOLPZCA-NSHDSACASA-N 1 2 337.876 3.615 20 0 EHADLO Cc1ccc2c(c1)OCCN2C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001137114063 1137666462 /nfs/dbraw/zinc/66/64/62/1137666462.db2.gz DQDMBTKQSJUVJX-KRWDZBQOSA-N 1 2 347.418 3.666 20 0 EHADLO CC(C)O[C@@H](CNc1cc(CSCCO)cc[nH+]1)c1ccccc1 ZINC000877128863 1137670967 /nfs/dbraw/zinc/67/09/67/1137670967.db2.gz XFSBQLUPRXCUHF-SFHVURJKSA-N 1 2 346.496 3.885 20 0 EHADLO CCOc1cc(F)cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000877420563 1137675931 /nfs/dbraw/zinc/67/59/31/1137675931.db2.gz XEABDDJRCUIJQA-UHFFFAOYSA-N 1 2 333.325 3.568 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C)c(NC(=O)N(C)C)c2)c1C ZINC000877493103 1137678308 /nfs/dbraw/zinc/67/83/08/1137678308.db2.gz FJJYHCOTCJCOMV-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO CCOC1(C)CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000877543362 1137680712 /nfs/dbraw/zinc/68/07/12/1137680712.db2.gz FXJUEUIVPMKUAE-UHFFFAOYSA-N 1 2 347.684 3.889 20 0 EHADLO CCn1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c2ccccc21 ZINC000877822247 1137691952 /nfs/dbraw/zinc/69/19/52/1137691952.db2.gz FQBPSFTVVWHXBP-LRDDRELGSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1nc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c2ccccc21 ZINC000877822247 1137691953 /nfs/dbraw/zinc/69/19/53/1137691953.db2.gz FQBPSFTVVWHXBP-LRDDRELGSA-N 1 2 341.377 3.598 20 0 EHADLO CC1(C)[NH2+][C@]2(CCC[C@H](C(F)(F)F)C2)N(CC2CCCC2)C1=O ZINC000877857766 1137693626 /nfs/dbraw/zinc/69/36/26/1137693626.db2.gz ZMSJKQUXFUKCTN-XJKSGUPXSA-N 1 2 332.410 3.836 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877905197 1137694952 /nfs/dbraw/zinc/69/49/52/1137694952.db2.gz BZLIDKGYDILGNN-ZDUSSCGKSA-N 1 2 327.827 3.639 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877905197 1137694953 /nfs/dbraw/zinc/69/49/53/1137694953.db2.gz BZLIDKGYDILGNN-ZDUSSCGKSA-N 1 2 327.827 3.639 20 0 EHADLO CC[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(OC)c(OC)c1 ZINC000877915788 1137695464 /nfs/dbraw/zinc/69/54/64/1137695464.db2.gz LQVWNCDGECYAMW-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO CC[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(OC)c(OC)c1 ZINC000877915788 1137695465 /nfs/dbraw/zinc/69/54/65/1137695465.db2.gz LQVWNCDGECYAMW-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)c1 ZINC000877919309 1137695540 /nfs/dbraw/zinc/69/55/40/1137695540.db2.gz QIALULVOCBEPRF-UHFFFAOYSA-N 1 2 327.409 3.668 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)c1 ZINC000877919309 1137695541 /nfs/dbraw/zinc/69/55/41/1137695541.db2.gz QIALULVOCBEPRF-UHFFFAOYSA-N 1 2 327.409 3.668 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC[C@@H]3CCc4ccccc43)sc2C1 ZINC000877965178 1137697387 /nfs/dbraw/zinc/69/73/87/1137697387.db2.gz DHDGKADIYGSKEK-AWEZNQCLSA-N 1 2 341.480 3.580 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC[C@@H]3CCc4ccccc43)sc2C1 ZINC000877965178 1137697388 /nfs/dbraw/zinc/69/73/88/1137697388.db2.gz DHDGKADIYGSKEK-AWEZNQCLSA-N 1 2 341.480 3.580 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC000877973730 1137697856 /nfs/dbraw/zinc/69/78/56/1137697856.db2.gz ZDKAISJNXPILTB-UHFFFAOYSA-N 1 2 348.434 3.761 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878158173 1137704950 /nfs/dbraw/zinc/70/49/50/1137704950.db2.gz WLCWOHUSCGKRJI-QGZVFWFLSA-N 1 2 338.411 3.508 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878158173 1137704951 /nfs/dbraw/zinc/70/49/51/1137704951.db2.gz WLCWOHUSCGKRJI-QGZVFWFLSA-N 1 2 338.411 3.508 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000878176052 1137705993 /nfs/dbraw/zinc/70/59/93/1137705993.db2.gz BSTBJWHBIVORQD-UHFFFAOYSA-N 1 2 329.206 3.630 20 0 EHADLO Cc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nc1Cl ZINC000878212628 1137707328 /nfs/dbraw/zinc/70/73/28/1137707328.db2.gz PJVONGRLNPNXQE-UHFFFAOYSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)n[nH]1 ZINC000878340531 1137711471 /nfs/dbraw/zinc/71/14/71/1137711471.db2.gz VYGKDTRHKAFUBC-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)[nH]n1 ZINC000878340531 1137711472 /nfs/dbraw/zinc/71/14/72/1137711472.db2.gz VYGKDTRHKAFUBC-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncccc2Br)cc1F ZINC000878346499 1137711726 /nfs/dbraw/zinc/71/17/26/1137711726.db2.gz JZOHZAFJUCSZOF-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)cc1 ZINC000878347612 1137711839 /nfs/dbraw/zinc/71/18/39/1137711839.db2.gz OPAPWLSIKXUKNA-ZDUSSCGKSA-N 1 2 339.395 3.692 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC000878368629 1137713102 /nfs/dbraw/zinc/71/31/02/1137713102.db2.gz LWZARBXBAMTGIP-VFNWGFHPSA-N 1 2 343.279 3.598 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(C)c(Cl)n1)c1ccc(F)c(F)c1 ZINC000878370405 1137713126 /nfs/dbraw/zinc/71/31/26/1137713126.db2.gz VHYSXVODKJXFJJ-OAHLLOKOSA-N 1 2 326.774 3.799 20 0 EHADLO Fc1cccc(F)c1C[N@H+](C[C@@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000878499537 1137718061 /nfs/dbraw/zinc/71/80/61/1137718061.db2.gz WQZHVRDNNVSTMB-HNNXBMFYSA-N 1 2 337.410 3.515 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000878499537 1137718062 /nfs/dbraw/zinc/71/80/62/1137718062.db2.gz WQZHVRDNNVSTMB-HNNXBMFYSA-N 1 2 337.410 3.515 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878615270 1137722441 /nfs/dbraw/zinc/72/24/41/1137722441.db2.gz WLIWOIARCNLQCK-INIZCTEOSA-N 1 2 328.803 3.917 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878615270 1137722442 /nfs/dbraw/zinc/72/24/42/1137722442.db2.gz WLIWOIARCNLQCK-INIZCTEOSA-N 1 2 328.803 3.917 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4cccnc4)CC4(CCC4)C3)ccc2[nH+]1 ZINC000878641268 1137723489 /nfs/dbraw/zinc/72/34/89/1137723489.db2.gz RWSLFAILUBSELD-UHFFFAOYSA-N 1 2 346.434 3.878 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCc3c2cccc3O)sc1Br ZINC000878661175 1137724206 /nfs/dbraw/zinc/72/42/06/1137724206.db2.gz ZFNROKLEQYPBKR-NSHDSACASA-N 1 2 339.258 3.697 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2s1 ZINC000878686433 1137725127 /nfs/dbraw/zinc/72/51/27/1137725127.db2.gz FNGXKKVHOKWXLT-GFCCVEGCSA-N 1 2 345.493 3.943 20 0 EHADLO Clc1ccc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)nc1 ZINC000878706995 1137725714 /nfs/dbraw/zinc/72/57/14/1137725714.db2.gz OCGCPKJQJVAQDE-UHFFFAOYSA-N 1 2 347.846 3.645 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878758366 1137727315 /nfs/dbraw/zinc/72/73/15/1137727315.db2.gz KUVWLKFPXPAPEX-SJLPKXTDSA-N 1 2 343.858 3.799 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878758366 1137727316 /nfs/dbraw/zinc/72/73/16/1137727316.db2.gz KUVWLKFPXPAPEX-SJLPKXTDSA-N 1 2 343.858 3.799 20 0 EHADLO Cc1ccc(C[NH+]2CCC(Cc3nnc(C(C)C)[nH]3)CC2)c(Cl)n1 ZINC000878797158 1137728482 /nfs/dbraw/zinc/72/84/82/1137728482.db2.gz HZZGTRNWHRGUFS-UHFFFAOYSA-N 1 2 347.894 3.740 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1noc3c1CC(C)(C)CC3)C2 ZINC000879011092 1137735245 /nfs/dbraw/zinc/73/52/45/1137735245.db2.gz QFQRYUWMGHUVFZ-UHFFFAOYSA-N 1 2 342.487 3.508 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1noc3c1CC(C)(C)CC3)C2 ZINC000879011092 1137735246 /nfs/dbraw/zinc/73/52/46/1137735246.db2.gz QFQRYUWMGHUVFZ-UHFFFAOYSA-N 1 2 342.487 3.508 20 0 EHADLO CCOCC[N@H+](Cc1nccn1CC(F)F)[C@@H]1CCc2ccccc21 ZINC000879051692 1137736424 /nfs/dbraw/zinc/73/64/24/1137736424.db2.gz BJVRZAQQDCLGJU-QGZVFWFLSA-N 1 2 349.425 3.674 20 0 EHADLO CCOCC[N@@H+](Cc1nccn1CC(F)F)[C@@H]1CCc2ccccc21 ZINC000879051692 1137736425 /nfs/dbraw/zinc/73/64/25/1137736425.db2.gz BJVRZAQQDCLGJU-QGZVFWFLSA-N 1 2 349.425 3.674 20 0 EHADLO CSC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000879100105 1137737688 /nfs/dbraw/zinc/73/76/88/1137737688.db2.gz INQCCXOWYURDSH-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000879152547 1137739497 /nfs/dbraw/zinc/73/94/97/1137739497.db2.gz QZUFYVJPEGPMMV-KUHUBIRLSA-N 1 2 337.398 3.899 20 0 EHADLO O[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244876 1137742340 /nfs/dbraw/zinc/74/23/40/1137742340.db2.gz UIIAAVQQRFQOPC-IEBWSBKVSA-N 1 2 341.455 3.815 20 0 EHADLO O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244876 1137742341 /nfs/dbraw/zinc/74/23/41/1137742341.db2.gz UIIAAVQQRFQOPC-IEBWSBKVSA-N 1 2 341.455 3.815 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879302935 1137743932 /nfs/dbraw/zinc/74/39/32/1137743932.db2.gz MGFHNLUPCQSBSZ-IRXDYDNUSA-N 1 2 333.435 3.977 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)n1 ZINC000879502229 1137749429 /nfs/dbraw/zinc/74/94/29/1137749429.db2.gz USBUGAKGKVJSBC-LJQANCHMSA-N 1 2 339.487 3.624 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)n1 ZINC000879502229 1137749430 /nfs/dbraw/zinc/74/94/30/1137749430.db2.gz USBUGAKGKVJSBC-LJQANCHMSA-N 1 2 339.487 3.624 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558897 1137751124 /nfs/dbraw/zinc/75/11/24/1137751124.db2.gz LWSSIXNBUXXTJP-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558897 1137751125 /nfs/dbraw/zinc/75/11/25/1137751125.db2.gz LWSSIXNBUXXTJP-WDEREUQCSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(Nc1cc(C2CC2)ccn1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879611515 1137752392 /nfs/dbraw/zinc/75/23/92/1137752392.db2.gz QADGZUNJKLJJBV-SFHVURJKSA-N 1 2 347.422 3.719 20 0 EHADLO CCCn1cc(NC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cn1 ZINC000879715785 1137756410 /nfs/dbraw/zinc/75/64/10/1137756410.db2.gz JQFGZGPUHNRRFX-UHFFFAOYSA-N 1 2 338.415 3.551 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cc2cnccc2o1 ZINC000879715451 1137756503 /nfs/dbraw/zinc/75/65/03/1137756503.db2.gz WXWXJXINONAVSU-OLZOCXBDSA-N 1 2 340.431 3.731 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ncccc2Br)c1 ZINC000879752418 1137758123 /nfs/dbraw/zinc/75/81/23/1137758123.db2.gz QAMRPZLHRDBRGK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ncccc2Br)c1 ZINC000879752418 1137758124 /nfs/dbraw/zinc/75/81/24/1137758124.db2.gz QAMRPZLHRDBRGK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001484 1137764252 /nfs/dbraw/zinc/76/42/52/1137764252.db2.gz VVRXPUYJAJFYKF-YMTOWFKASA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001484 1137764253 /nfs/dbraw/zinc/76/42/53/1137764253.db2.gz VVRXPUYJAJFYKF-YMTOWFKASA-N 1 2 336.304 3.566 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1nsc2ccccc21 ZINC000880021581 1137765657 /nfs/dbraw/zinc/76/56/57/1137765657.db2.gz GZAGTNZCXJKUGI-AWEZNQCLSA-N 1 2 343.456 3.729 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H](C(F)(F)F)O1 ZINC000880054392 1137766763 /nfs/dbraw/zinc/76/67/63/1137766763.db2.gz FIFZEAXJULFZQU-WFASDCNBSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H](C(F)(F)F)O1 ZINC000880054392 1137766764 /nfs/dbraw/zinc/76/67/64/1137766764.db2.gz FIFZEAXJULFZQU-WFASDCNBSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H](C(F)(F)F)O1 ZINC000880067793 1137767111 /nfs/dbraw/zinc/76/71/11/1137767111.db2.gz WXPXZUCUYZHZOB-JOYOIKCWSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H](C(F)(F)F)O1 ZINC000880067793 1137767112 /nfs/dbraw/zinc/76/71/12/1137767112.db2.gz WXPXZUCUYZHZOB-JOYOIKCWSA-N 1 2 342.283 3.642 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000880105755 1137768427 /nfs/dbraw/zinc/76/84/27/1137768427.db2.gz QTPVTJLQICIDQW-JTQLQIEISA-N 1 2 336.226 3.590 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880224075 1137771430 /nfs/dbraw/zinc/77/14/30/1137771430.db2.gz BPDBKYKRIOQTAB-UWUNEBHHSA-N 1 2 340.448 3.851 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880318345 1137775052 /nfs/dbraw/zinc/77/50/52/1137775052.db2.gz XYQDBIFKPLKOGM-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880318345 1137775053 /nfs/dbraw/zinc/77/50/53/1137775053.db2.gz XYQDBIFKPLKOGM-ZDUSSCGKSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880323005 1137775318 /nfs/dbraw/zinc/77/53/18/1137775318.db2.gz MUMNPLMUYFEPMJ-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880323005 1137775319 /nfs/dbraw/zinc/77/53/19/1137775319.db2.gz MUMNPLMUYFEPMJ-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2nccs2)C2(CCC2)CC1 ZINC000880349244 1137775857 /nfs/dbraw/zinc/77/58/57/1137775857.db2.gz ARZUKXTYNNUDTE-UHFFFAOYSA-N 1 2 337.489 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2nccs2)C2(CCC2)CC1 ZINC000880349244 1137775858 /nfs/dbraw/zinc/77/58/58/1137775858.db2.gz ARZUKXTYNNUDTE-UHFFFAOYSA-N 1 2 337.489 3.509 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000880375296 1137777059 /nfs/dbraw/zinc/77/70/59/1137777059.db2.gz CKAVBAJEEXIOLF-NSHDSACASA-N 1 2 327.409 3.623 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000880375296 1137777060 /nfs/dbraw/zinc/77/70/60/1137777060.db2.gz CKAVBAJEEXIOLF-NSHDSACASA-N 1 2 327.409 3.623 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCCC(F)(F)F ZINC000880390454 1137777569 /nfs/dbraw/zinc/77/75/69/1137777569.db2.gz ROTBCHYIJBGERE-OAHLLOKOSA-N 1 2 335.341 3.622 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C3CC3)cc2F)C1 ZINC000880749153 1137788106 /nfs/dbraw/zinc/78/81/06/1137788106.db2.gz PYWQDZHXJZLAII-OAHLLOKOSA-N 1 2 342.418 3.848 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000626134219 1137791172 /nfs/dbraw/zinc/79/11/72/1137791172.db2.gz CNRSSYFWQZOMFE-YOEHRIQHSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000626134219 1137791173 /nfs/dbraw/zinc/79/11/73/1137791173.db2.gz CNRSSYFWQZOMFE-YOEHRIQHSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135427 1137795935 /nfs/dbraw/zinc/79/59/35/1137795935.db2.gz ZKMHJTAZCNOTQY-WMLDXEAASA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135427 1137795936 /nfs/dbraw/zinc/79/59/36/1137795936.db2.gz ZKMHJTAZCNOTQY-WMLDXEAASA-N 1 2 329.444 3.717 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128987066 1137806810 /nfs/dbraw/zinc/80/68/10/1137806810.db2.gz WHAHOMYNTHBUMI-LBPRGKRZSA-N 1 2 336.892 3.709 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128987066 1137806811 /nfs/dbraw/zinc/80/68/11/1137806811.db2.gz WHAHOMYNTHBUMI-LBPRGKRZSA-N 1 2 336.892 3.709 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000881562243 1137810055 /nfs/dbraw/zinc/81/00/55/1137810055.db2.gz XPHJYVMHMBZPRF-ZDUSSCGKSA-N 1 2 335.835 3.591 20 0 EHADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000881657064 1137812818 /nfs/dbraw/zinc/81/28/18/1137812818.db2.gz KMMAHPQCYTUKIN-HNNXBMFYSA-N 1 2 347.409 3.736 20 0 EHADLO C[C@H]1c2sccc2CCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000882180124 1137822885 /nfs/dbraw/zinc/82/28/85/1137822885.db2.gz ARYVDTVTEPVYMT-CMPLNLGQSA-N 1 2 343.374 3.584 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000888906231 1137823512 /nfs/dbraw/zinc/82/35/12/1137823512.db2.gz ZQOHVVAJICURRE-CEXWTWQISA-N 1 2 337.467 3.678 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000882571842 1137829649 /nfs/dbraw/zinc/82/96/49/1137829649.db2.gz INNUBCGQXJJSFC-SMDDNHRTSA-N 1 2 341.308 3.657 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@H]1F)n1cc[nH+]c1 ZINC000882705247 1137832125 /nfs/dbraw/zinc/83/21/25/1137832125.db2.gz OPXLLLMSBQAELF-KURKYZTESA-N 1 2 329.419 3.612 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000882872954 1137836327 /nfs/dbraw/zinc/83/63/27/1137836327.db2.gz PHFYDUCMHMOPDP-MRXNPFEDSA-N 1 2 333.382 3.566 20 0 EHADLO CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1sccc1Cl ZINC000883240200 1137850031 /nfs/dbraw/zinc/85/00/31/1137850031.db2.gz KSRUXCMMLRUUED-GFCCVEGCSA-N 1 2 349.891 3.699 20 0 EHADLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(-c2ccccc2)nn1C ZINC000883311824 1137853975 /nfs/dbraw/zinc/85/39/75/1137853975.db2.gz LWXYCUWSGJVZSU-OAHLLOKOSA-N 1 2 333.439 3.607 20 0 EHADLO C[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000883387605 1137859042 /nfs/dbraw/zinc/85/90/42/1137859042.db2.gz AGUPWDHDAYNXDJ-JXFKEZNVSA-N 1 2 335.455 3.508 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000883464579 1137861178 /nfs/dbraw/zinc/86/11/78/1137861178.db2.gz QVNRDSCNDZRNOK-ZDUSSCGKSA-N 1 2 338.274 3.941 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C2CC2)O1 ZINC000348226686 1137861882 /nfs/dbraw/zinc/86/18/82/1137861882.db2.gz ICGSMDSXYFZSMV-IERDGZPVSA-N 1 2 338.451 3.660 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C2CC2)O1 ZINC000348226686 1137861883 /nfs/dbraw/zinc/86/18/83/1137861883.db2.gz ICGSMDSXYFZSMV-IERDGZPVSA-N 1 2 338.451 3.660 20 0 EHADLO Cc1ccc2c(Nc3ncnc4c3ncn4[C@H]3CCCO3)cccc2[nH+]1 ZINC001212795870 1137866093 /nfs/dbraw/zinc/86/60/93/1137866093.db2.gz GQMVNTJEMQNKQY-MRXNPFEDSA-N 1 2 346.394 3.736 20 0 EHADLO Cc1ccc2c(Nc3ncccc3CN3CCOCC3)cccc2[nH+]1 ZINC001212796279 1137867045 /nfs/dbraw/zinc/86/70/45/1137867045.db2.gz WEBNHYYPGBQEGQ-UHFFFAOYSA-N 1 2 334.423 3.514 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103077657 1137875174 /nfs/dbraw/zinc/87/51/74/1137875174.db2.gz MWSDRMGUTHBVJI-LJQANCHMSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103307567 1137876003 /nfs/dbraw/zinc/87/60/03/1137876003.db2.gz PMMPJRLHNLDFAA-LJQANCHMSA-N 1 2 340.471 3.669 20 0 EHADLO CC[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000104315607 1137878097 /nfs/dbraw/zinc/87/80/97/1137878097.db2.gz UMSIWRRDEAAACL-INIZCTEOSA-N 1 2 329.444 3.973 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000348251473 1137879140 /nfs/dbraw/zinc/87/91/40/1137879140.db2.gz ZPJAVXJGCDBTCD-SFHVURJKSA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000348251473 1137879141 /nfs/dbraw/zinc/87/91/41/1137879141.db2.gz ZPJAVXJGCDBTCD-SFHVURJKSA-N 1 2 331.435 3.784 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(F)cc1Cl ZINC000104973234 1137879681 /nfs/dbraw/zinc/87/96/81/1137879681.db2.gz KZXAIAZAYAGHTB-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000029277328 1137882959 /nfs/dbraw/zinc/88/29/59/1137882959.db2.gz PBYSNGAQMNANMQ-ONNFQVAWSA-N 1 2 349.390 3.541 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cs1 ZINC000111376508 1137904322 /nfs/dbraw/zinc/90/43/22/1137904322.db2.gz KKXUILPPMTXKFE-WCQYABFASA-N 1 2 349.887 3.815 20 0 EHADLO CCCCOc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111733154 1137905356 /nfs/dbraw/zinc/90/53/56/1137905356.db2.gz YCXUVGMNHRQUOA-UHFFFAOYSA-N 1 2 342.443 3.931 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114705340 1137918451 /nfs/dbraw/zinc/91/84/51/1137918451.db2.gz NIUDANZAWSHDIX-IAGOWNOFSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114805096 1137919045 /nfs/dbraw/zinc/91/90/45/1137919045.db2.gz JOJMCFZANCCDCM-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559644 1137922252 /nfs/dbraw/zinc/92/22/52/1137922252.db2.gz SJIZPORWUQCBBA-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559644 1137922253 /nfs/dbraw/zinc/92/22/53/1137922253.db2.gz SJIZPORWUQCBBA-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559649 1137922292 /nfs/dbraw/zinc/92/22/92/1137922292.db2.gz SJIZPORWUQCBBA-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559649 1137922293 /nfs/dbraw/zinc/92/22/93/1137922293.db2.gz SJIZPORWUQCBBA-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331879506 1137924178 /nfs/dbraw/zinc/92/41/78/1137924178.db2.gz CAYYRDKUMSWWAS-CVEARBPZSA-N 1 2 346.519 3.618 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331879524 1137924199 /nfs/dbraw/zinc/92/41/99/1137924199.db2.gz CAYYRDKUMSWWAS-HZPDHXFCSA-N 1 2 346.519 3.618 20 0 EHADLO CC(C)[C@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccc(F)cc1 ZINC000118848329 1137935861 /nfs/dbraw/zinc/93/58/61/1137935861.db2.gz VKJYRFHQSKXDPC-INIZCTEOSA-N 1 2 349.475 3.620 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118847616 1137935904 /nfs/dbraw/zinc/93/59/04/1137935904.db2.gz NVUVGZKAUYQQJC-UHFFFAOYSA-N 1 2 331.485 3.731 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)n1 ZINC000118849000 1137935944 /nfs/dbraw/zinc/93/59/44/1137935944.db2.gz PQDPYTTVAKCWTR-UHFFFAOYSA-N 1 2 347.469 3.641 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332347165 1137940856 /nfs/dbraw/zinc/94/08/56/1137940856.db2.gz UBYWCNARKZLXTC-HUUCEWRRSA-N 1 2 332.492 3.576 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2ccccc2SC)sc1C ZINC000348315396 1137942383 /nfs/dbraw/zinc/94/23/83/1137942383.db2.gz IZHGZUXYNJKECP-UHFFFAOYSA-N 1 2 349.525 3.806 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2ccccc2SC)sc1C ZINC000348315396 1137942384 /nfs/dbraw/zinc/94/23/84/1137942384.db2.gz IZHGZUXYNJKECP-UHFFFAOYSA-N 1 2 349.525 3.806 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCc2nc(C)sc2C1 ZINC001137206856 1137943515 /nfs/dbraw/zinc/94/35/15/1137943515.db2.gz NKEYGFRILCWJMY-UHFFFAOYSA-N 1 2 325.437 3.567 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCc2nc(C)sc2C1 ZINC001137206856 1137943516 /nfs/dbraw/zinc/94/35/16/1137943516.db2.gz NKEYGFRILCWJMY-UHFFFAOYSA-N 1 2 325.437 3.567 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccn1 ZINC000119841475 1137944732 /nfs/dbraw/zinc/94/47/32/1137944732.db2.gz ZFFRBMBJYHUJNW-OALUTQOASA-N 1 2 347.422 3.637 20 0 EHADLO CC[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(OC)cc1 ZINC000120341251 1137948787 /nfs/dbraw/zinc/94/87/87/1137948787.db2.gz SZCBRJYVNBTYJA-INIZCTEOSA-N 1 2 341.455 3.639 20 0 EHADLO COc1ccc2c(c1)CN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC000332613437 1137948966 /nfs/dbraw/zinc/94/89/66/1137948966.db2.gz PMRGYADBDNFBCU-UHFFFAOYSA-N 1 2 325.412 3.606 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)c(C)[nH+]1 ZINC000333189195 1137957714 /nfs/dbraw/zinc/95/77/14/1137957714.db2.gz NREVNDFXXFQMTR-CJNGLKHVSA-N 1 2 325.412 3.693 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1nccc1-c1ccncc1 ZINC000134817409 1137960989 /nfs/dbraw/zinc/96/09/89/1137960989.db2.gz QCQCKNOKRHVJSC-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1nccc1-c1ccncc1 ZINC000134817409 1137960990 /nfs/dbraw/zinc/96/09/90/1137960990.db2.gz QCQCKNOKRHVJSC-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000282921154 1137963779 /nfs/dbraw/zinc/96/37/79/1137963779.db2.gz DUVQGOXXMUWFQA-LBPRGKRZSA-N 1 2 331.445 3.545 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1CN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000884657521 1137965666 /nfs/dbraw/zinc/96/56/66/1137965666.db2.gz ZJOYGOQMVYHMIH-BBRMVZONSA-N 1 2 340.393 3.636 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1CN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000884657521 1137965668 /nfs/dbraw/zinc/96/56/68/1137965668.db2.gz ZJOYGOQMVYHMIH-BBRMVZONSA-N 1 2 340.393 3.636 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3c(F)cccc3N3CCCC3)nc2c1 ZINC001649166795 1137967269 /nfs/dbraw/zinc/96/72/69/1137967269.db2.gz ZDUPPFHTUVGUFU-UHFFFAOYSA-N 1 2 338.430 3.672 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000135370910 1137967671 /nfs/dbraw/zinc/96/76/71/1137967671.db2.gz PHDOVKMPFVHDJR-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885244481 1137991561 /nfs/dbraw/zinc/99/15/61/1137991561.db2.gz FPTRJJANSKCDQR-CPUCHLNUSA-N 1 2 349.887 3.852 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885244481 1137991563 /nfs/dbraw/zinc/99/15/63/1137991563.db2.gz FPTRJJANSKCDQR-CPUCHLNUSA-N 1 2 349.887 3.852 20 0 EHADLO Cn1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)n1 ZINC000348356582 1138024106 /nfs/dbraw/zinc/02/41/06/1138024106.db2.gz ZOAUVYNNVNIBHJ-GOSISDBHSA-N 1 2 326.831 3.542 20 0 EHADLO c1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]2CCCO2)cc1 ZINC000053228624 1138046389 /nfs/dbraw/zinc/04/63/89/1138046389.db2.gz WNWUYEBMSGQBPN-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO c1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]2CCCO2)cc1 ZINC000053228624 1138046390 /nfs/dbraw/zinc/04/63/90/1138046390.db2.gz WNWUYEBMSGQBPN-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO COC(=O)c1cncc([C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000886521068 1138089406 /nfs/dbraw/zinc/08/94/06/1138089406.db2.gz TVKNDNFCSCOXSH-PBHICJAKSA-N 1 2 346.427 3.526 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000886542904 1138093928 /nfs/dbraw/zinc/09/39/28/1138093928.db2.gz HQTCXONIMJIWSU-DNVCBOLYSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000886542904 1138093931 /nfs/dbraw/zinc/09/39/31/1138093931.db2.gz HQTCXONIMJIWSU-DNVCBOLYSA-N 1 2 329.465 3.673 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799908 1138171432 /nfs/dbraw/zinc/17/14/32/1138171432.db2.gz VEBYYIBXYUZSKJ-RDJZCZTQSA-N 1 2 342.487 3.714 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](CC)c2cccc3ccccc32)n1 ZINC000886919837 1138172350 /nfs/dbraw/zinc/17/23/50/1138172350.db2.gz XPHJQKRLEKAWIT-MRXNPFEDSA-N 1 2 339.395 3.640 20 0 EHADLO c1cn(CCSCc2csc(-c3ccc4c(c3)OCO4)n2)c[nH+]1 ZINC000090201015 1138210197 /nfs/dbraw/zinc/21/01/97/1138210197.db2.gz UANXQDLWCBEZFH-UHFFFAOYSA-N 1 2 345.449 3.669 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3ccc(F)cc3Cl)CCCC2)no1 ZINC000091674646 1138220522 /nfs/dbraw/zinc/22/05/22/1138220522.db2.gz GKANIRCODGDOQI-UHFFFAOYSA-N 1 2 339.798 3.608 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000092593977 1138229802 /nfs/dbraw/zinc/22/98/02/1138229802.db2.gz BUVIZTQDOZCVEE-QGZVFWFLSA-N 1 2 333.453 3.729 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000092593977 1138229803 /nfs/dbraw/zinc/22/98/03/1138229803.db2.gz BUVIZTQDOZCVEE-QGZVFWFLSA-N 1 2 333.453 3.729 20 0 EHADLO COc1ccccc1[C@H](CN[C@H](C)c1nccs1)[NH+]1CCCC1 ZINC000093369025 1138237110 /nfs/dbraw/zinc/23/71/10/1138237110.db2.gz VHGAWCPTOJETHD-ZBFHGGJFSA-N 1 2 331.485 3.639 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000093606495 1138238567 /nfs/dbraw/zinc/23/85/67/1138238567.db2.gz FAEGLXHIBLBJIR-JLTOFOAXSA-N 1 2 342.414 3.746 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000093606495 1138238569 /nfs/dbraw/zinc/23/85/69/1138238569.db2.gz FAEGLXHIBLBJIR-JLTOFOAXSA-N 1 2 342.414 3.746 20 0 EHADLO C[N@@H+](Cc1cnccc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001137239448 1138242250 /nfs/dbraw/zinc/24/22/50/1138242250.db2.gz VNKDNQPJQWNMIR-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C[N@H+](Cc1cnccc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001137239448 1138242252 /nfs/dbraw/zinc/24/22/52/1138242252.db2.gz VNKDNQPJQWNMIR-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnccc1Cl ZINC001137239202 1138242274 /nfs/dbraw/zinc/24/22/74/1138242274.db2.gz LEHOUJGYBWGFBE-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnccc1Cl ZINC001137239202 1138242275 /nfs/dbraw/zinc/24/22/75/1138242275.db2.gz LEHOUJGYBWGFBE-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC001202742320 1138257942 /nfs/dbraw/zinc/25/79/42/1138257942.db2.gz UNPPTXKBKZDQTQ-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123458547 1138270417 /nfs/dbraw/zinc/27/04/17/1138270417.db2.gz VNGUHBNXWYJVEO-CXAGYDPISA-N 1 2 337.423 3.969 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124888240 1138296561 /nfs/dbraw/zinc/29/65/61/1138296561.db2.gz DUKFUCWXSVRULL-MAUKXSAKSA-N 1 2 342.443 3.787 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000125350312 1138306390 /nfs/dbraw/zinc/30/63/90/1138306390.db2.gz KBAPGRLRYLSRPV-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000125350312 1138306391 /nfs/dbraw/zinc/30/63/91/1138306391.db2.gz KBAPGRLRYLSRPV-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000125755943 1138315660 /nfs/dbraw/zinc/31/56/60/1138315660.db2.gz SLERHQUTQWDFMC-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000125755943 1138315664 /nfs/dbraw/zinc/31/56/64/1138315664.db2.gz SLERHQUTQWDFMC-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125986674 1138320840 /nfs/dbraw/zinc/32/08/40/1138320840.db2.gz LOYOJPIUGGJRRI-PBHICJAKSA-N 1 2 345.874 3.924 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000126076030 1138323279 /nfs/dbraw/zinc/32/32/79/1138323279.db2.gz HOLCLFTYKVMKMI-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)ccc1C ZINC000126155036 1138325403 /nfs/dbraw/zinc/32/54/03/1138325403.db2.gz ONNFZIODCMHLKG-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263731819 1138351906 /nfs/dbraw/zinc/35/19/06/1138351906.db2.gz CRKKELUCYKESPN-ZDUSSCGKSA-N 1 2 346.862 3.775 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)s1 ZINC000263733890 1138352020 /nfs/dbraw/zinc/35/20/20/1138352020.db2.gz CMQZDVKGABZBQU-GFCCVEGCSA-N 1 2 332.473 3.738 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cccc2c3c([nH]c21)CCCC3 ZINC000263835995 1138377313 /nfs/dbraw/zinc/37/73/13/1138377313.db2.gz QQGAFCRWYXGVDT-UHFFFAOYSA-N 1 2 348.450 3.510 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000128045496 1138378703 /nfs/dbraw/zinc/37/87/03/1138378703.db2.gz QIEJQGXNVZPQOA-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000128045496 1138378706 /nfs/dbraw/zinc/37/87/06/1138378706.db2.gz QIEJQGXNVZPQOA-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263908550 1138390972 /nfs/dbraw/zinc/39/09/72/1138390972.db2.gz AOLFLPODVBIENA-KRWDZBQOSA-N 1 2 346.434 3.800 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263932951 1138394489 /nfs/dbraw/zinc/39/44/89/1138394489.db2.gz DBBHNSAOACWTAQ-MRXNPFEDSA-N 1 2 329.469 3.683 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263938762 1138395437 /nfs/dbraw/zinc/39/54/37/1138395437.db2.gz IAAXCBBYHPPHHJ-OAHLLOKOSA-N 1 2 329.469 3.930 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)c1cccc(Cl)c1 ZINC000263949298 1138396483 /nfs/dbraw/zinc/39/64/83/1138396483.db2.gz NWOMFOVPGHPIRA-LLVKDONJSA-N 1 2 339.773 3.561 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263951746 1138396890 /nfs/dbraw/zinc/39/68/90/1138396890.db2.gz PCSQKUNOVOAAML-MRXNPFEDSA-N 1 2 327.428 3.608 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000129582157 1138414847 /nfs/dbraw/zinc/41/48/47/1138414847.db2.gz PONAEEPCVWXCOC-SWLSCSKDSA-N 1 2 334.370 3.936 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000336888211 1138421498 /nfs/dbraw/zinc/42/14/98/1138421498.db2.gz HOSFEYOBGLHGBR-SFHVURJKSA-N 1 2 344.418 3.588 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000264175910 1138434434 /nfs/dbraw/zinc/43/44/34/1138434434.db2.gz LRZUVTNZCPZCKF-HOTGVXAUSA-N 1 2 325.456 3.971 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000130214852 1138442426 /nfs/dbraw/zinc/44/24/26/1138442426.db2.gz GGSQJDVLKUZHPU-CQSZACIVSA-N 1 2 334.510 3.648 20 0 EHADLO CCCCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000264219218 1138446666 /nfs/dbraw/zinc/44/66/66/1138446666.db2.gz ISBXMSJOXDKDQN-MRXNPFEDSA-N 1 2 345.487 3.876 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2(C)CCCC2)c1)[NH+]1CCOCC1 ZINC000264288568 1138464326 /nfs/dbraw/zinc/46/43/26/1138464326.db2.gz YEXSQRSYERIJRT-OAHLLOKOSA-N 1 2 331.460 3.534 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc2c1CCC2 ZINC000337126328 1138472969 /nfs/dbraw/zinc/47/29/69/1138472969.db2.gz FUCNXTRGGUZHLF-UHFFFAOYSA-N 1 2 349.478 3.881 20 0 EHADLO Cc1nc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2o1 ZINC000337152721 1138480960 /nfs/dbraw/zinc/48/09/60/1138480960.db2.gz MQQQPEUMKATVRT-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO CCS[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000337165046 1138483705 /nfs/dbraw/zinc/48/37/05/1138483705.db2.gz XHPMRBSPPOBJSD-WBVHZDCISA-N 1 2 349.544 3.703 20 0 EHADLO Fc1ccccc1[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000264354731 1138485344 /nfs/dbraw/zinc/48/53/44/1138485344.db2.gz DHIPDESKLFLMBR-GFCCVEGCSA-N 1 2 329.400 3.927 20 0 EHADLO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000264354731 1138485348 /nfs/dbraw/zinc/48/53/48/1138485348.db2.gz DHIPDESKLFLMBR-GFCCVEGCSA-N 1 2 329.400 3.927 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337192883 1138491428 /nfs/dbraw/zinc/49/14/28/1138491428.db2.gz UEIFLFCEBLDIOX-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(Cl)c1F ZINC000337199177 1138492957 /nfs/dbraw/zinc/49/29/57/1138492957.db2.gz APZQPYSKBZFVOT-KRWDZBQOSA-N 1 2 330.790 3.851 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000264383188 1138495758 /nfs/dbraw/zinc/49/57/58/1138495758.db2.gz BZVMDMYKNQTRIP-CYBMUJFWSA-N 1 2 340.452 3.779 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)OC)ccc2F)o1 ZINC000131151399 1138498533 /nfs/dbraw/zinc/49/85/33/1138498533.db2.gz SRPURBGCQMGLCF-QGZVFWFLSA-N 1 2 347.386 3.689 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)OC)ccc2F)o1 ZINC000131151399 1138498536 /nfs/dbraw/zinc/49/85/36/1138498536.db2.gz SRPURBGCQMGLCF-QGZVFWFLSA-N 1 2 347.386 3.689 20 0 EHADLO Brc1cccnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000264436941 1138515264 /nfs/dbraw/zinc/51/52/64/1138515264.db2.gz RSLVVJPIDRTIQJ-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO OC[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccsc1 ZINC000337328509 1138534967 /nfs/dbraw/zinc/53/49/67/1138534967.db2.gz YUADBAJQDVLFJR-LBPRGKRZSA-N 1 2 348.212 3.612 20 0 EHADLO FC(F)O[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000337406210 1138558910 /nfs/dbraw/zinc/55/89/10/1138558910.db2.gz LUEIKZDQTGCNKR-OLZOCXBDSA-N 1 2 329.391 3.757 20 0 EHADLO Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000887623984 1138565648 /nfs/dbraw/zinc/56/56/48/1138565648.db2.gz BSZCVACUPAPXMG-IYARVYRRSA-N 1 2 338.455 3.613 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(Cl)cc1 ZINC000337460393 1138575614 /nfs/dbraw/zinc/57/56/14/1138575614.db2.gz ZZJVBGAAIFVOAF-XIKOKIGWSA-N 1 2 330.863 3.761 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000337531159 1138597096 /nfs/dbraw/zinc/59/70/96/1138597096.db2.gz DGHWZDVBSJIARU-IXDOHACOSA-N 1 2 330.476 3.542 20 0 EHADLO CO[C@H]1Cc2ccccc2N(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000337555756 1138604387 /nfs/dbraw/zinc/60/43/87/1138604387.db2.gz WDBHYKKKWULAMV-FQEVSTJZSA-N 1 2 333.435 3.758 20 0 EHADLO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c(F)c1 ZINC000337594804 1138616154 /nfs/dbraw/zinc/61/61/54/1138616154.db2.gz FEVZXOOAFFTQHT-UHFFFAOYSA-N 1 2 349.369 3.575 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2Nc1nc(C)[nH+]c2c1CCCC2 ZINC000337813961 1138674136 /nfs/dbraw/zinc/67/41/36/1138674136.db2.gz NRTHQTUCWVYHMC-KRWDZBQOSA-N 1 2 327.403 3.911 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccncc1F ZINC000337815896 1138674662 /nfs/dbraw/zinc/67/46/62/1138674662.db2.gz OJTYEOFBKZGGAT-LBPRGKRZSA-N 1 2 334.358 3.523 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc2C1)NCCCCNc1cccc[nH+]1 ZINC000264937220 1138680242 /nfs/dbraw/zinc/68/02/42/1138680242.db2.gz QZEQVSHKZDGSHW-QGZVFWFLSA-N 1 2 337.467 3.585 20 0 EHADLO CCN(C(=O)CCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000338072854 1138741259 /nfs/dbraw/zinc/74/12/59/1138741259.db2.gz WHOSHDXWMUFFOD-ZDUSSCGKSA-N 1 2 339.361 3.902 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCc2ccccc2C1 ZINC000265142857 1138744041 /nfs/dbraw/zinc/74/40/41/1138744041.db2.gz SESUKVCHUZLOFM-NRFANRHFSA-N 1 2 345.446 3.561 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCCC3(C2)OCCO3)nc2ccccc12 ZINC000136152024 1138787860 /nfs/dbraw/zinc/78/78/60/1138787860.db2.gz QWEPSAWMBYYZBI-UHFFFAOYSA-N 1 2 332.831 3.536 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCCC3(C2)OCCO3)nc2ccccc12 ZINC000136152024 1138787863 /nfs/dbraw/zinc/78/78/63/1138787863.db2.gz QWEPSAWMBYYZBI-UHFFFAOYSA-N 1 2 332.831 3.536 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)c1cccnc1 ZINC000265274115 1138791730 /nfs/dbraw/zinc/79/17/30/1138791730.db2.gz VENRXPZXOZUWIZ-MRXNPFEDSA-N 1 2 334.423 3.550 20 0 EHADLO CCOCCOCc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000265297297 1138799528 /nfs/dbraw/zinc/79/95/28/1138799528.db2.gz CGQYYYULOUUSKV-UHFFFAOYSA-N 1 2 341.455 3.828 20 0 EHADLO CC(C)(NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000338318175 1138831619 /nfs/dbraw/zinc/83/16/19/1138831619.db2.gz UCMQLXCYXCTUHX-UHFFFAOYSA-N 1 2 348.450 3.666 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000338354979 1138850594 /nfs/dbraw/zinc/85/05/94/1138850594.db2.gz GNERTDZYXPKSRV-DLBZAZTESA-N 1 2 340.471 3.557 20 0 EHADLO Cc1[nH+]ccn1CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338376397 1138871307 /nfs/dbraw/zinc/87/13/07/1138871307.db2.gz KVUGSLUFEUKUKL-INIZCTEOSA-N 1 2 341.352 3.781 20 0 EHADLO Cc1nccn1CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338376397 1138871315 /nfs/dbraw/zinc/87/13/15/1138871315.db2.gz KVUGSLUFEUKUKL-INIZCTEOSA-N 1 2 341.352 3.781 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265458502 1138907692 /nfs/dbraw/zinc/90/76/92/1138907692.db2.gz MYLXJFDSZLUPFO-LBPRGKRZSA-N 1 2 336.823 3.534 20 0 EHADLO C[C@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)Cn1cc[nH+]c1 ZINC000153470341 1139137348 /nfs/dbraw/zinc/13/73/48/1139137348.db2.gz VBWMFBNGDFYBMU-GFCCVEGCSA-N 1 2 340.254 3.575 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC[C@@H](C2CCC2)C1 ZINC000889544675 1139229300 /nfs/dbraw/zinc/22/93/00/1139229300.db2.gz XHJJGGPIBJCQBB-KZNAEPCWSA-N 1 2 342.487 3.636 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCC1CCC(F)(F)CC1 ZINC000890055090 1139307610 /nfs/dbraw/zinc/30/76/10/1139307610.db2.gz SPXRNTVXHOSJMW-UHFFFAOYSA-N 1 2 347.409 3.747 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000890063119 1139309340 /nfs/dbraw/zinc/30/93/40/1139309340.db2.gz IXPUVZJYLYOFNV-UHFFFAOYSA-N 1 2 347.409 3.877 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000826680156 1139312088 /nfs/dbraw/zinc/31/20/88/1139312088.db2.gz DLVOJUUEMDWZJR-PMPSAXMXSA-N 1 2 340.389 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000826680156 1139312096 /nfs/dbraw/zinc/31/20/96/1139312096.db2.gz DLVOJUUEMDWZJR-PMPSAXMXSA-N 1 2 340.389 3.658 20 0 EHADLO C[C@@H](c1ccco1)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264827 1139335012 /nfs/dbraw/zinc/33/50/12/1139335012.db2.gz JNDVYOVXGFYELV-DOTOQJQBSA-N 1 2 338.411 3.620 20 0 EHADLO C[C@@H](c1ccco1)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264829 1139335482 /nfs/dbraw/zinc/33/54/82/1139335482.db2.gz JNDVYOVXGFYELV-RDJZCZTQSA-N 1 2 338.411 3.620 20 0 EHADLO C[C@H]1CC[C@H](C)[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013131 1139394492 /nfs/dbraw/zinc/39/44/92/1139394492.db2.gz JWMJIKXIBAPSLY-RYUDHWBXSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013131 1139394500 /nfs/dbraw/zinc/39/45/00/1139394500.db2.gz JWMJIKXIBAPSLY-RYUDHWBXSA-N 1 2 343.452 3.865 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C)cc1 ZINC000174909769 1139449951 /nfs/dbraw/zinc/44/99/51/1139449951.db2.gz ONIHBAVQLVINJI-UHFFFAOYSA-N 1 2 337.467 3.769 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000174993684 1139455641 /nfs/dbraw/zinc/45/56/41/1139455641.db2.gz VMVNPHIRBPFBPM-MRXNPFEDSA-N 1 2 329.469 3.509 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000174993684 1139455646 /nfs/dbraw/zinc/45/56/46/1139455646.db2.gz VMVNPHIRBPFBPM-MRXNPFEDSA-N 1 2 329.469 3.509 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1c(F)cccc1Cl ZINC000175024442 1139458471 /nfs/dbraw/zinc/45/84/71/1139458471.db2.gz PVIKPQNWZAPVOT-BDAKNGLRSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)O1 ZINC000175814547 1139520080 /nfs/dbraw/zinc/52/00/80/1139520080.db2.gz KPQBCQWMNQJRGJ-JSGCOSHPSA-N 1 2 333.819 3.812 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2cc(-c3ccco3)on2)cc1OC ZINC000176059429 1139536299 /nfs/dbraw/zinc/53/62/99/1139536299.db2.gz LINHARYTGVUGAP-UHFFFAOYSA-N 1 2 342.395 3.892 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2cc(-c3ccco3)on2)cc1OC ZINC000176059429 1139536303 /nfs/dbraw/zinc/53/63/03/1139536303.db2.gz LINHARYTGVUGAP-UHFFFAOYSA-N 1 2 342.395 3.892 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C)CCC2)C[C@H](C)O1 ZINC000176883226 1139584175 /nfs/dbraw/zinc/58/41/75/1139584175.db2.gz PIAJDSXXRYXOIZ-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc3scnc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000177606538 1139628722 /nfs/dbraw/zinc/62/87/22/1139628722.db2.gz KHJTUFRLZHHLTP-WFASDCNBSA-N 1 2 341.440 3.608 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cscn2)CC1 ZINC000178218708 1139680256 /nfs/dbraw/zinc/68/02/56/1139680256.db2.gz RWTRORLWTXHGKE-UHFFFAOYSA-N 1 2 349.525 3.721 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1OC(F)F ZINC000178449514 1139696221 /nfs/dbraw/zinc/69/62/21/1139696221.db2.gz NWPYHFDAUWPJSW-NSHDSACASA-N 1 2 329.778 3.916 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2nnc(-c3ccco3)o2)c1 ZINC000179429895 1139756521 /nfs/dbraw/zinc/75/65/21/1139756521.db2.gz AHPBRILZSYMGDI-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nnc(-c3ccco3)o2)c1 ZINC000179429895 1139756524 /nfs/dbraw/zinc/75/65/24/1139756524.db2.gz AHPBRILZSYMGDI-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000179501584 1139760283 /nfs/dbraw/zinc/76/02/83/1139760283.db2.gz JTWXFRUEIRHLHQ-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000179501584 1139760288 /nfs/dbraw/zinc/76/02/88/1139760288.db2.gz JTWXFRUEIRHLHQ-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518098 1139762471 /nfs/dbraw/zinc/76/24/71/1139762471.db2.gz SDMWHOZMVHRLLA-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518098 1139762477 /nfs/dbraw/zinc/76/24/77/1139762477.db2.gz SDMWHOZMVHRLLA-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179757592 1139780205 /nfs/dbraw/zinc/78/02/05/1139780205.db2.gz GJNCDWPVOKHXBJ-CYBMUJFWSA-N 1 2 342.443 3.612 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3o2)oc1C ZINC000180888055 1139871059 /nfs/dbraw/zinc/87/10/59/1139871059.db2.gz DSPPOMFRKITMFP-LLVKDONJSA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3o2)oc1C ZINC000180888055 1139871068 /nfs/dbraw/zinc/87/10/68/1139871068.db2.gz DSPPOMFRKITMFP-LLVKDONJSA-N 1 2 328.368 3.709 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181065463 1139882654 /nfs/dbraw/zinc/88/26/54/1139882654.db2.gz YBUVHVHOSKWPBK-GOSISDBHSA-N 1 2 338.455 3.836 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181065463 1139882663 /nfs/dbraw/zinc/88/26/63/1139882663.db2.gz YBUVHVHOSKWPBK-GOSISDBHSA-N 1 2 338.455 3.836 20 0 EHADLO CC(C)COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1C ZINC000181722066 1139926941 /nfs/dbraw/zinc/92/69/41/1139926941.db2.gz ZTSVVPSJVQPJGK-KRWDZBQOSA-N 1 2 330.476 3.727 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181853128 1139936609 /nfs/dbraw/zinc/93/66/09/1139936609.db2.gz ZJSCUYYQBSFTNQ-OAHLLOKOSA-N 1 2 328.460 3.863 20 0 EHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000182488370 1139975197 /nfs/dbraw/zinc/97/51/97/1139975197.db2.gz RTMHEQIHCNTNCL-CQSZACIVSA-N 1 2 325.412 3.882 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000182677930 1139986220 /nfs/dbraw/zinc/98/62/20/1139986220.db2.gz BHYPEUNBIKHNIC-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000182677930 1139986221 /nfs/dbraw/zinc/98/62/21/1139986221.db2.gz BHYPEUNBIKHNIC-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1cc(N[C@H](C)CC(=O)Nc2cccnc2Cl)ccc1[NH+](C)C ZINC000182851266 1139997785 /nfs/dbraw/zinc/99/77/85/1139997785.db2.gz UVVSBDLLVVWNDG-CYBMUJFWSA-N 1 2 346.862 3.939 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000183163127 1140016780 /nfs/dbraw/zinc/01/67/80/1140016780.db2.gz CUQUNDBOUFJHEG-QKFKETGDSA-N 1 2 331.485 3.838 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000183226958 1140022111 /nfs/dbraw/zinc/02/21/11/1140022111.db2.gz ONAUFXUYSXAYOJ-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184194535 1140086849 /nfs/dbraw/zinc/08/68/49/1140086849.db2.gz FFIULTDOAQXAOY-KRWDZBQOSA-N 1 2 330.428 3.530 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccco1 ZINC000184516559 1140106766 /nfs/dbraw/zinc/10/67/66/1140106766.db2.gz LRZAEHRWWMWSIM-CYBMUJFWSA-N 1 2 344.636 3.909 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cs1 ZINC000184675285 1140114076 /nfs/dbraw/zinc/11/40/76/1140114076.db2.gz YVMOEDKMVKCWBT-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CC)Cc2cccc(F)c2)cs1 ZINC000184691719 1140115078 /nfs/dbraw/zinc/11/50/78/1140115078.db2.gz INZSVGDDGKFORE-CYBMUJFWSA-N 1 2 349.475 3.544 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cs1 ZINC000184688682 1140115203 /nfs/dbraw/zinc/11/52/03/1140115203.db2.gz IQOBALZONANURU-YJYMSZOUSA-N 1 2 343.496 3.624 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cs1 ZINC000184725223 1140117723 /nfs/dbraw/zinc/11/77/23/1140117723.db2.gz WZYHCIPISWLVQX-ZIAGYGMSSA-N 1 2 331.485 3.622 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cs1 ZINC000184722264 1140117736 /nfs/dbraw/zinc/11/77/36/1140117736.db2.gz OGKWTWMFDFUBMY-HIFRSBDPSA-N 1 2 329.469 3.723 20 0 EHADLO COCc1noc(C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)n1 ZINC000184956195 1140127884 /nfs/dbraw/zinc/12/78/84/1140127884.db2.gz CKTMZKWOIWDXHR-HNNXBMFYSA-N 1 2 343.452 3.660 20 0 EHADLO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1Cl ZINC000184980454 1140129292 /nfs/dbraw/zinc/12/92/92/1140129292.db2.gz FPFJHLUQKCAJII-UHFFFAOYSA-N 1 2 330.819 3.751 20 0 EHADLO CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1Cl ZINC000184980454 1140129294 /nfs/dbraw/zinc/12/92/94/1140129294.db2.gz FPFJHLUQKCAJII-UHFFFAOYSA-N 1 2 330.819 3.751 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)s1 ZINC000185021879 1140131680 /nfs/dbraw/zinc/13/16/80/1140131680.db2.gz SFMASBREJQXFTG-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO CCCCn1c(S[C@@H](C)c2cnccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000185138008 1140137727 /nfs/dbraw/zinc/13/77/27/1140137727.db2.gz KNPYQEYTLBVCCU-DZGCQCFKSA-N 1 2 348.520 3.734 20 0 EHADLO Clc1cccc([C@@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000185644521 1140159851 /nfs/dbraw/zinc/15/98/51/1140159851.db2.gz QUXYYASKJJUOKR-KRWDZBQOSA-N 1 2 327.815 3.561 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669972 1140162415 /nfs/dbraw/zinc/16/24/15/1140162415.db2.gz UITUOAGNHQAILX-DZGCQCFKSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669972 1140162417 /nfs/dbraw/zinc/16/24/17/1140162417.db2.gz UITUOAGNHQAILX-DZGCQCFKSA-N 1 2 344.484 3.719 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([C@H]3C[C@H]3C)o1)n2C ZINC000185839173 1140172883 /nfs/dbraw/zinc/17/28/83/1140172883.db2.gz RVYZLXOKWRZELZ-DOMZBBRYSA-N 1 2 325.412 3.588 20 0 EHADLO COc1cccc2c(N3CCC(O)(c4ccccc4)CC3)cc[nH+]c12 ZINC000186521422 1140208505 /nfs/dbraw/zinc/20/85/05/1140208505.db2.gz AREATXXQHHOCIR-UHFFFAOYSA-N 1 2 334.419 3.731 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cn1 ZINC000186642567 1140214876 /nfs/dbraw/zinc/21/48/76/1140214876.db2.gz UEWJXCOHPZRYSK-AUUYWEPGSA-N 1 2 341.434 3.777 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCCOc3ccccc32)no1 ZINC000186828610 1140223715 /nfs/dbraw/zinc/22/37/15/1140223715.db2.gz DKWSQVPGEJPPRY-KRWDZBQOSA-N 1 2 330.428 3.993 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000186861548 1140225307 /nfs/dbraw/zinc/22/53/07/1140225307.db2.gz SDZSLDJTEROWFM-DTQAZKPQSA-N 1 2 330.472 3.758 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000187992152 1140279668 /nfs/dbraw/zinc/27/96/68/1140279668.db2.gz MWGPXLGCYAMARE-OKZBNKHCSA-N 1 2 329.488 3.503 20 0 EHADLO O=C(Cc1cncs1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188257240 1140288612 /nfs/dbraw/zinc/28/86/12/1140288612.db2.gz PFHNMWXRNYGXRT-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccccc2C)n1 ZINC000191828647 1140488161 /nfs/dbraw/zinc/48/81/61/1140488161.db2.gz POJNCEWZPXRVIA-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccccc2C)n1 ZINC000191828647 1140488169 /nfs/dbraw/zinc/48/81/69/1140488169.db2.gz POJNCEWZPXRVIA-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3sccc3[nH]2)c1C ZINC000191995681 1140496694 /nfs/dbraw/zinc/49/66/94/1140496694.db2.gz MMPOOICZZRLTRP-UHFFFAOYSA-N 1 2 329.425 3.522 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000192188333 1140509605 /nfs/dbraw/zinc/50/96/05/1140509605.db2.gz WVSPDBQIIAOQOV-UHFFFAOYSA-N 1 2 343.446 3.510 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1SC ZINC000192246406 1140514220 /nfs/dbraw/zinc/51/42/20/1140514220.db2.gz XVJOOKQZAUDVAH-UHFFFAOYSA-N 1 2 337.514 3.781 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)s1 ZINC000192251841 1140515686 /nfs/dbraw/zinc/51/56/86/1140515686.db2.gz CRUJHMFNIXIKCZ-UHFFFAOYSA-N 1 2 325.865 3.713 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(Cl)cc1 ZINC000192258041 1140516806 /nfs/dbraw/zinc/51/68/06/1140516806.db2.gz HKZKFTFZUNAIES-UHFFFAOYSA-N 1 2 333.863 3.580 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)Cc1cccs1 ZINC000192309230 1140522398 /nfs/dbraw/zinc/52/23/98/1140522398.db2.gz RXTXGOXBLOBSJJ-OAHLLOKOSA-N 1 2 348.516 3.560 20 0 EHADLO C[C@H](SCc1ccnc(N)c1)[C@H](C)SCc1cc[nH+]c(N)c1 ZINC000195502757 1140640347 /nfs/dbraw/zinc/64/03/47/1140640347.db2.gz UFGCMNKCWRIMEG-RYUDHWBXSA-N 1 2 334.514 3.585 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000266478208 1140692314 /nfs/dbraw/zinc/69/23/14/1140692314.db2.gz HRPSKQCVFZLJLM-HZPDHXFCSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266709695 1140718090 /nfs/dbraw/zinc/71/80/90/1140718090.db2.gz JBNURMOXEAKQQV-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266709695 1140718094 /nfs/dbraw/zinc/71/80/94/1140718094.db2.gz JBNURMOXEAKQQV-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000266950362 1140741974 /nfs/dbraw/zinc/74/19/74/1140741974.db2.gz VGCFDKMTKWJOHY-CYBMUJFWSA-N 1 2 348.244 3.500 20 0 EHADLO O=C(Nc1ccccc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266984990 1140746379 /nfs/dbraw/zinc/74/63/79/1140746379.db2.gz VCJFIUDRWSLLRH-UHFFFAOYSA-N 1 2 349.232 3.584 20 0 EHADLO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000096659781 1140754513 /nfs/dbraw/zinc/75/45/13/1140754513.db2.gz WOSUOJPWNHHPEZ-UHFFFAOYSA-N 1 2 332.469 3.950 20 0 EHADLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CCCCCC(C)C)C2)C1 ZINC001274330057 1140782958 /nfs/dbraw/zinc/78/29/58/1140782958.db2.gz INAAATSYHOZDOI-UHFFFAOYSA-N 1 2 349.544 3.702 20 0 EHADLO CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267427655 1140789968 /nfs/dbraw/zinc/78/99/68/1140789968.db2.gz BHAFLKJZYXNQMH-UHFFFAOYSA-N 1 2 347.850 3.541 20 0 EHADLO CO[C@@H](C)c1nc(CNCc2c[nH+]c(C)n2-c2ccccc2)cs1 ZINC000267591561 1140807728 /nfs/dbraw/zinc/80/77/28/1140807728.db2.gz ALNMXHBDCXFTLD-ZDUSSCGKSA-N 1 2 342.468 3.634 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267988445 1140862874 /nfs/dbraw/zinc/86/28/74/1140862874.db2.gz PCINKNUOZBNLGF-KBPBESRZSA-N 1 2 347.459 3.683 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2csc(Br)c2)s1 ZINC000268172366 1140895636 /nfs/dbraw/zinc/89/56/36/1140895636.db2.gz GTJMRDPLEXEUFP-UHFFFAOYSA-N 1 2 346.319 3.949 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000268344212 1140924235 /nfs/dbraw/zinc/92/42/35/1140924235.db2.gz BJKRDNBXJLKQRH-HUUCEWRRSA-N 1 2 333.432 3.654 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000268344212 1140924241 /nfs/dbraw/zinc/92/42/41/1140924241.db2.gz BJKRDNBXJLKQRH-HUUCEWRRSA-N 1 2 333.432 3.654 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)NCc2cn3c([nH+]2)CCCC3)s1 ZINC000268495632 1140948002 /nfs/dbraw/zinc/94/80/02/1140948002.db2.gz RIJYOCZYAOOEQQ-UHFFFAOYSA-N 1 2 347.488 3.505 20 0 EHADLO COc1coc(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1=O ZINC000268664278 1140969174 /nfs/dbraw/zinc/96/91/74/1140969174.db2.gz RXSGVAILJXIGHL-UHFFFAOYSA-N 1 2 328.195 3.587 20 0 EHADLO COc1coc(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1=O ZINC000268664278 1140969178 /nfs/dbraw/zinc/96/91/78/1140969178.db2.gz RXSGVAILJXIGHL-UHFFFAOYSA-N 1 2 328.195 3.587 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1nnc2n1CCCCC2 ZINC000268870319 1141013669 /nfs/dbraw/zinc/01/36/69/1141013669.db2.gz UEZZEPIGAWJSOK-GOEBONIOSA-N 1 2 330.480 3.584 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc2c(c1)OCCO2 ZINC000269116112 1141067273 /nfs/dbraw/zinc/06/72/73/1141067273.db2.gz WOLSCMKIBBNSID-CYBMUJFWSA-N 1 2 333.457 3.674 20 0 EHADLO Cc1ccc(SCCC(=O)N(C)CCCn2cc[nH+]c2)cc1C ZINC000269137877 1141071075 /nfs/dbraw/zinc/07/10/75/1141071075.db2.gz YQHIDOKAAAWRQN-UHFFFAOYSA-N 1 2 331.485 3.531 20 0 EHADLO CC/C(=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000269652656 1141131716 /nfs/dbraw/zinc/13/17/16/1141131716.db2.gz JMCRUIWYXKRKCU-CCEZHUSRSA-N 1 2 339.439 3.618 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000269754644 1141141427 /nfs/dbraw/zinc/14/14/27/1141141427.db2.gz TYPRVWTYKQXMQZ-OLZOCXBDSA-N 1 2 333.382 3.588 20 0 EHADLO C[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)c1cn[nH]c1 ZINC000270155228 1141186163 /nfs/dbraw/zinc/18/61/63/1141186163.db2.gz DSDYKSMXGDSGTN-NSHDSACASA-N 1 2 348.859 3.949 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC=CCC1 ZINC000270201345 1141192140 /nfs/dbraw/zinc/19/21/40/1141192140.db2.gz DZYSKXNKRHFNNY-MRXNPFEDSA-N 1 2 334.423 3.832 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270335300 1141208857 /nfs/dbraw/zinc/20/88/57/1141208857.db2.gz FLTHFWWXCHYAGI-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270335300 1141208860 /nfs/dbraw/zinc/20/88/60/1141208860.db2.gz FLTHFWWXCHYAGI-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)no1 ZINC000271090123 1141306415 /nfs/dbraw/zinc/30/64/15/1141306415.db2.gz UCAIIKIMFUSDOH-UHFFFAOYSA-N 1 2 348.472 3.739 20 0 EHADLO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)CCC2 ZINC000271485312 1141379366 /nfs/dbraw/zinc/37/93/66/1141379366.db2.gz NZCCELJQLWMGSQ-JSGCOSHPSA-N 1 2 338.423 3.684 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1N(C)C ZINC000271546767 1141394686 /nfs/dbraw/zinc/39/46/86/1141394686.db2.gz ZGHKKOCLTOEEJK-ZBEGNZNMSA-N 1 2 338.373 3.554 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C[C@@H]3C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000274136558 1141478709 /nfs/dbraw/zinc/47/87/09/1141478709.db2.gz WIWBYWRGCMBYAU-LZLYRXPVSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H]1CO[C@@H](c2noc(C[C@@H]3C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000274136558 1141478713 /nfs/dbraw/zinc/47/87/13/1141478713.db2.gz WIWBYWRGCMBYAU-LZLYRXPVSA-N 1 2 339.439 3.540 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000274215024 1141486529 /nfs/dbraw/zinc/48/65/29/1141486529.db2.gz NJXDWBPZDYFFSM-NEPJUHHUSA-N 1 2 347.488 3.788 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc4ccc(F)cc4nc3C)ccc2[nH+]1 ZINC000339118516 1141502252 /nfs/dbraw/zinc/50/22/52/1141502252.db2.gz ICMTWKDPYACHCR-UHFFFAOYSA-N 1 2 334.354 3.891 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000339151603 1141511574 /nfs/dbraw/zinc/51/15/74/1141511574.db2.gz IKMHZFQORIIIDR-JPYJTQIMSA-N 1 2 328.412 3.598 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339183291 1141521355 /nfs/dbraw/zinc/52/13/55/1141521355.db2.gz MZPRLLDJUIBJKE-UHFFFAOYSA-N 1 2 342.402 3.974 20 0 EHADLO Cc1ccc([C@@H](CNCc2cccc(O)c2Cl)[NH+]2CCCC2)o1 ZINC000339216984 1141530665 /nfs/dbraw/zinc/53/06/65/1141530665.db2.gz KIHSCDAEDXZXHR-OAHLLOKOSA-N 1 2 334.847 3.874 20 0 EHADLO Cc1cc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000339222655 1141532888 /nfs/dbraw/zinc/53/28/88/1141532888.db2.gz CBGNKAGOLDNCTP-OAHLLOKOSA-N 1 2 333.439 3.502 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000283270564 1141581606 /nfs/dbraw/zinc/58/16/06/1141581606.db2.gz WQCFUQJZQDNZEY-UHFFFAOYSA-N 1 2 334.414 3.870 20 0 EHADLO C[C@@H](Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348809435 1141583742 /nfs/dbraw/zinc/58/37/42/1141583742.db2.gz OPIUFWYWZCQNMB-OAHLLOKOSA-N 1 2 348.450 3.808 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)ccc1OC ZINC000348831151 1141590487 /nfs/dbraw/zinc/59/04/87/1141590487.db2.gz FLABFXXJNQHRKZ-KRWDZBQOSA-N 1 2 345.443 3.650 20 0 EHADLO CCOCc1cc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)ccc1OC ZINC000348831151 1141590490 /nfs/dbraw/zinc/59/04/90/1141590490.db2.gz FLABFXXJNQHRKZ-KRWDZBQOSA-N 1 2 345.443 3.650 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccnc(-c2ccccc2)c1 ZINC000348836649 1141592712 /nfs/dbraw/zinc/59/27/12/1141592712.db2.gz YHDGZONQIWTALJ-UHFFFAOYSA-N 1 2 347.422 3.767 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348879983 1141603089 /nfs/dbraw/zinc/60/30/89/1141603089.db2.gz MURZEFNPARUBQD-LJQANCHMSA-N 1 2 331.419 3.892 20 0 EHADLO CCOc1c(C[N@H+](CC)Cc2ccncc2)c(C)nn1CC(C)C ZINC000348904099 1141606946 /nfs/dbraw/zinc/60/69/46/1141606946.db2.gz KPFNQONJVFHMNG-UHFFFAOYSA-N 1 2 330.476 3.663 20 0 EHADLO CCOc1c(C[N@@H+](CC)Cc2ccncc2)c(C)nn1CC(C)C ZINC000348904099 1141606950 /nfs/dbraw/zinc/60/69/50/1141606950.db2.gz KPFNQONJVFHMNG-UHFFFAOYSA-N 1 2 330.476 3.663 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000283472392 1141634007 /nfs/dbraw/zinc/63/40/07/1141634007.db2.gz IRCVOSBRIWKXRP-UHFFFAOYSA-N 1 2 331.243 3.554 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000349147664 1141645825 /nfs/dbraw/zinc/64/58/25/1141645825.db2.gz IJXHBHGUUSBNJD-UHFFFAOYSA-N 1 2 332.822 3.512 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000349147664 1141645829 /nfs/dbraw/zinc/64/58/29/1141645829.db2.gz IJXHBHGUUSBNJD-UHFFFAOYSA-N 1 2 332.822 3.512 20 0 EHADLO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccco2)cc1OC ZINC000035012608 522021537 /nfs/dbraw/zinc/02/15/37/522021537.db2.gz PEAYUOMYNMJFMA-JTQLQIEISA-N 1 2 340.217 3.910 20 0 EHADLO C[N@H+](Cc1ccsc1C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000310139954 601826280 /nfs/dbraw/zinc/82/62/80/601826280.db2.gz MVVXSSGRLJPMKD-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[N@@H+](Cc1ccsc1C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000310139954 601826282 /nfs/dbraw/zinc/82/62/82/601826282.db2.gz MVVXSSGRLJPMKD-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c(F)cccc1Cl ZINC000824606143 608553206 /nfs/dbraw/zinc/55/32/06/608553206.db2.gz NUKIXJIPFRWYCZ-SECBINFHSA-N 1 2 349.772 3.649 20 0 EHADLO c1cc(-c2nn[nH]n2)oc1C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000826523150 608676087 /nfs/dbraw/zinc/67/60/87/608676087.db2.gz CCELAEBNMVXYGT-UHFFFAOYSA-N 1 2 343.390 3.643 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826268991 609160072 /nfs/dbraw/zinc/16/00/72/609160072.db2.gz WUJQFMCGNLFIBG-LBPRGKRZSA-N 1 2 340.406 3.553 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1F ZINC000384310141 1125462756 /nfs/dbraw/zinc/46/27/56/1125462756.db2.gz KIXZATGOBPYZKH-KRWDZBQOSA-N 1 2 327.399 3.547 20 0 EHADLO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1F ZINC000384310141 1125462761 /nfs/dbraw/zinc/46/27/61/1125462761.db2.gz KIXZATGOBPYZKH-KRWDZBQOSA-N 1 2 327.399 3.547 20 0 EHADLO CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903694231 956874579 /nfs/dbraw/zinc/87/45/79/956874579.db2.gz PWYCEPADVHVGGT-UHFFFAOYSA-N 1 2 336.501 3.677 20 0 EHADLO CC(=O)c1csc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183185803 1125468058 /nfs/dbraw/zinc/46/80/58/1125468058.db2.gz PHCLANVBVUZNGB-QGZVFWFLSA-N 1 2 343.448 3.772 20 0 EHADLO CC(=O)c1csc(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000183185803 1125468062 /nfs/dbraw/zinc/46/80/62/1125468062.db2.gz PHCLANVBVUZNGB-QGZVFWFLSA-N 1 2 343.448 3.772 20 0 EHADLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000620132419 1125480405 /nfs/dbraw/zinc/48/04/05/1125480405.db2.gz CERSRCUBCLBMQI-HUUCEWRRSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000620132419 1125480407 /nfs/dbraw/zinc/48/04/07/1125480407.db2.gz CERSRCUBCLBMQI-HUUCEWRRSA-N 1 2 335.394 3.706 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000654699686 1014129825 /nfs/dbraw/zinc/12/98/25/1014129825.db2.gz LUXQBCIHEVYART-QGZVFWFLSA-N 1 2 339.483 3.997 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000654699686 1014129831 /nfs/dbraw/zinc/12/98/31/1014129831.db2.gz LUXQBCIHEVYART-QGZVFWFLSA-N 1 2 339.483 3.997 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000460828535 1032083925 /nfs/dbraw/zinc/08/39/25/1032083925.db2.gz JRAHSYFAUHNOAX-NRFANRHFSA-N 1 2 347.462 3.806 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3cccc(Br)c3)ccc2[nH+]1 ZINC000339271266 1014137427 /nfs/dbraw/zinc/13/74/27/1014137427.db2.gz BSCYNUMSGOFOGZ-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO Cc1cn2cc(NC(=O)c3oc(Br)cc3C)ccc2[nH+]1 ZINC000339274146 1014139953 /nfs/dbraw/zinc/13/99/53/1014139953.db2.gz YMOMLOTXUSRLNA-UHFFFAOYSA-N 1 2 334.173 3.559 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1nc(C(F)(F)F)cs1 ZINC000274608635 1014320522 /nfs/dbraw/zinc/32/05/22/1014320522.db2.gz MVUNELPBNZOCQM-SECBINFHSA-N 1 2 344.358 3.784 20 0 EHADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000274640242 1014385668 /nfs/dbraw/zinc/38/56/68/1014385668.db2.gz QZYOGFMYXMOGBM-CYBMUJFWSA-N 1 2 328.441 3.604 20 0 EHADLO C[C@H](CNC(=O)CCc1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000654820926 1014447938 /nfs/dbraw/zinc/44/79/38/1014447938.db2.gz XIRRJCPQQDUOFO-GFCCVEGCSA-N 1 2 340.254 3.575 20 0 EHADLO Cn1nccc1-c1ccccc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000510057440 1014547001 /nfs/dbraw/zinc/54/70/01/1014547001.db2.gz KRQKPAXWZPRFKQ-UHFFFAOYSA-N 1 2 347.466 3.506 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339474857 1014547456 /nfs/dbraw/zinc/54/74/56/1014547456.db2.gz BCBCYZCCYOVXLM-ZWKOTPCHSA-N 1 2 325.456 3.566 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000654948457 1014651087 /nfs/dbraw/zinc/65/10/87/1014651087.db2.gz IGOUGHPCSYJXAG-KRWDZBQOSA-N 1 2 345.874 3.969 20 0 EHADLO O=C(CCc1cncs1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339549616 1014817066 /nfs/dbraw/zinc/81/70/66/1014817066.db2.gz UAHBOBROHDBEPM-UHFFFAOYSA-N 1 2 332.816 3.554 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000655051014 1014882406 /nfs/dbraw/zinc/88/24/06/1014882406.db2.gz GFCCVBPPFOOMNJ-ZDUSSCGKSA-N 1 2 349.837 3.729 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000655051014 1014882419 /nfs/dbraw/zinc/88/24/19/1014882419.db2.gz GFCCVBPPFOOMNJ-ZDUSSCGKSA-N 1 2 349.837 3.729 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)cs2)cc1 ZINC000119148874 1014911498 /nfs/dbraw/zinc/91/14/98/1014911498.db2.gz LQCQBPVCNMWVJX-OALUTQOASA-N 1 2 336.460 3.866 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000683201164 1014930259 /nfs/dbraw/zinc/93/02/59/1014930259.db2.gz LRJXANNBDNQXTQ-UHFFFAOYSA-N 1 2 331.416 3.907 20 0 EHADLO C[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cn1cc[nH+]c1 ZINC000728198068 1014945528 /nfs/dbraw/zinc/94/55/28/1014945528.db2.gz CJPVXGWYSAJYEW-LLVKDONJSA-N 1 2 335.333 3.593 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127804548 1015117775 /nfs/dbraw/zinc/11/77/75/1015117775.db2.gz PUADRGMAMCJFKF-XJKSGUPXSA-N 1 2 332.835 3.960 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000124200922 1015211922 /nfs/dbraw/zinc/21/19/22/1015211922.db2.gz YAFHDWJSWUYTOO-UHFFFAOYSA-N 1 2 344.312 3.595 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579851259 1015248100 /nfs/dbraw/zinc/24/81/00/1015248100.db2.gz LZVAKHOKECVYBB-MAUKXSAKSA-N 1 2 343.471 3.891 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579851259 1015248108 /nfs/dbraw/zinc/24/81/08/1015248108.db2.gz LZVAKHOKECVYBB-MAUKXSAKSA-N 1 2 343.471 3.891 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579851261 1015248191 /nfs/dbraw/zinc/24/81/91/1015248191.db2.gz LZVAKHOKECVYBB-YJBOKZPZSA-N 1 2 343.471 3.891 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579851261 1015248196 /nfs/dbraw/zinc/24/81/96/1015248196.db2.gz LZVAKHOKECVYBB-YJBOKZPZSA-N 1 2 343.471 3.891 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2sc(Cl)nc2Cl)C1 ZINC001139958496 1015267894 /nfs/dbraw/zinc/26/78/94/1015267894.db2.gz GMZPYPBMEHVKJL-SECBINFHSA-N 1 2 337.272 3.615 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2sc(Cl)nc2Cl)C1 ZINC001139958496 1015267897 /nfs/dbraw/zinc/26/78/97/1015267897.db2.gz GMZPYPBMEHVKJL-SECBINFHSA-N 1 2 337.272 3.615 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000655360804 1015410610 /nfs/dbraw/zinc/41/06/10/1015410610.db2.gz OXFXCRMRNWOTGC-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(C)[nH+]c1C ZINC000274818555 1015422537 /nfs/dbraw/zinc/42/25/37/1015422537.db2.gz RYERMTQFDCXURU-UHFFFAOYSA-N 1 2 338.860 3.758 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccc(C)n2)C(C)(C)C)c(OC)c1 ZINC000339662471 1015478927 /nfs/dbraw/zinc/47/89/27/1015478927.db2.gz JEWXNSSNXCCWAY-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccc(C)n2)C(C)(C)C)c(OC)c1 ZINC000339662471 1015478935 /nfs/dbraw/zinc/47/89/35/1015478935.db2.gz JEWXNSSNXCCWAY-UHFFFAOYSA-N 1 2 329.444 3.603 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)ccc2[nH+]1 ZINC000339690766 1015534685 /nfs/dbraw/zinc/53/46/85/1015534685.db2.gz ALTHUAZKAUMOHQ-UHFFFAOYSA-N 1 2 338.798 3.959 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109257413 1015547278 /nfs/dbraw/zinc/54/72/78/1015547278.db2.gz SGBZBPAWKQBXJW-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598199594 990809013 /nfs/dbraw/zinc/80/90/13/990809013.db2.gz LPVBTRCBZPKZRU-UHFFFAOYSA-N 1 2 344.455 3.664 20 0 EHADLO C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598199594 990809020 /nfs/dbraw/zinc/80/90/20/990809020.db2.gz LPVBTRCBZPKZRU-UHFFFAOYSA-N 1 2 344.455 3.664 20 0 EHADLO C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598199607 990809336 /nfs/dbraw/zinc/80/93/36/990809336.db2.gz MUPXEIRKCMOEGV-UHFFFAOYSA-N 1 2 344.455 3.664 20 0 EHADLO C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598199607 990809340 /nfs/dbraw/zinc/80/93/40/990809340.db2.gz MUPXEIRKCMOEGV-UHFFFAOYSA-N 1 2 344.455 3.664 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000655228591 1015630898 /nfs/dbraw/zinc/63/08/98/1015630898.db2.gz RTSDUFUZXZUSMT-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000536678831 1032122350 /nfs/dbraw/zinc/12/23/50/1032122350.db2.gz KICQLDNNLDBOOI-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO COc1cc(C)[nH+]c(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000339839249 1015735181 /nfs/dbraw/zinc/73/51/81/1015735181.db2.gz PPAINHYEHZAXLI-IBGZPJMESA-N 1 2 326.440 3.580 20 0 EHADLO Cc1ccncc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339848110 1015749105 /nfs/dbraw/zinc/74/91/05/1015749105.db2.gz RWXOSWFIXMBTFS-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO FC(F)C1([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CCCCC1 ZINC000510154439 1015835647 /nfs/dbraw/zinc/83/56/47/1015835647.db2.gz KKGGCKZOLPLZBG-UHFFFAOYSA-N 1 2 340.805 3.978 20 0 EHADLO CCCC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000154836402 1015848306 /nfs/dbraw/zinc/84/83/06/1015848306.db2.gz NOVVKTOXSWKNBQ-KRWDZBQOSA-N 1 2 347.503 3.541 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000183099877 1032130466 /nfs/dbraw/zinc/13/04/66/1032130466.db2.gz GOZBHUVPOWRMTF-UHFFFAOYSA-N 1 2 343.393 3.805 20 0 EHADLO CCCCn1c(SCc2cscn2)nnc1[C@H](CC)[NH+](C)C ZINC000078448420 1015929370 /nfs/dbraw/zinc/92/93/70/1015929370.db2.gz KOHJHMQQTCJASH-ZDUSSCGKSA-N 1 2 339.534 3.840 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001167106762 1016043916 /nfs/dbraw/zinc/04/39/16/1016043916.db2.gz IBQARDYGRWOAHN-HOTGVXAUSA-N 1 2 340.471 3.919 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC001167106762 1016043932 /nfs/dbraw/zinc/04/39/32/1016043932.db2.gz IBQARDYGRWOAHN-HOTGVXAUSA-N 1 2 340.471 3.919 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001167109856 1016057281 /nfs/dbraw/zinc/05/72/81/1016057281.db2.gz DCRGUBMNMDWQKD-AWEZNQCLSA-N 1 2 326.444 3.813 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000151819207 1032141755 /nfs/dbraw/zinc/14/17/55/1032141755.db2.gz MMZCQXZANXOSMP-RISCZKNCSA-N 1 2 349.887 3.815 20 0 EHADLO O=C(C[C@H]1C=CCCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000187713821 1016211473 /nfs/dbraw/zinc/21/14/73/1016211473.db2.gz HLPUCEIBGAXFNF-KRWDZBQOSA-N 1 2 327.472 3.825 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccc(C4CC4)cc3)[nH+]c12 ZINC000584339776 1032144242 /nfs/dbraw/zinc/14/42/42/1032144242.db2.gz SWBWCFFRZYNAGY-OAHLLOKOSA-N 1 2 333.435 3.940 20 0 EHADLO COc1ccc(F)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1Cl ZINC001143377537 1016310271 /nfs/dbraw/zinc/31/02/71/1016310271.db2.gz YTHRGHJYBNZEJO-ZDUSSCGKSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(F)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1Cl ZINC001143377537 1016310280 /nfs/dbraw/zinc/31/02/80/1016310280.db2.gz YTHRGHJYBNZEJO-ZDUSSCGKSA-N 1 2 335.806 3.923 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1ccccc1Cl ZINC001203388277 1016353165 /nfs/dbraw/zinc/35/31/65/1016353165.db2.gz RMICMQSRIZVBIH-GJZGRUSLSA-N 1 2 336.863 3.924 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1ccccc1Cl ZINC001203388277 1016353171 /nfs/dbraw/zinc/35/31/71/1016353171.db2.gz RMICMQSRIZVBIH-GJZGRUSLSA-N 1 2 336.863 3.924 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cscc2Cl)C1 ZINC000648807413 1121478152 /nfs/dbraw/zinc/47/81/52/1121478152.db2.gz NLEUNFCAIRLNEN-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO Clc1cc(Br)cnc1NCCCCn1cc[nH+]c1 ZINC000236051167 1016529726 /nfs/dbraw/zinc/52/97/26/1016529726.db2.gz FVYDBQCXKRJWTH-UHFFFAOYSA-N 1 2 329.629 3.586 20 0 EHADLO Fc1ccccc1NC(=S)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782890935 1016555747 /nfs/dbraw/zinc/55/57/47/1016555747.db2.gz PTVXAEDASUUEPW-UHFFFAOYSA-N 1 2 346.475 3.911 20 0 EHADLO CCOC(=O)C[N@H+](CC)Cc1ccc(OCc2ccccc2F)cc1 ZINC001167199901 1016559618 /nfs/dbraw/zinc/55/96/18/1016559618.db2.gz XGGMPBXDGMFKBB-UHFFFAOYSA-N 1 2 345.414 3.790 20 0 EHADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OCc2ccccc2F)cc1 ZINC001167199901 1016559631 /nfs/dbraw/zinc/55/96/31/1016559631.db2.gz XGGMPBXDGMFKBB-UHFFFAOYSA-N 1 2 345.414 3.790 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000613565632 1016602999 /nfs/dbraw/zinc/60/29/99/1016602999.db2.gz OORXJPPLLZJPLZ-UHFFFAOYSA-N 1 2 337.423 3.946 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000613565632 1016603004 /nfs/dbraw/zinc/60/30/04/1016603004.db2.gz OORXJPPLLZJPLZ-UHFFFAOYSA-N 1 2 337.423 3.946 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000705995516 1016799504 /nfs/dbraw/zinc/79/95/04/1016799504.db2.gz AZUJFUPZIHXNTG-BLLLJJGKSA-N 1 2 343.814 3.995 20 0 EHADLO C[C@H](CC(=O)NCc1cccc(COc2ccccc2)c1)n1cc[nH+]c1 ZINC001125351248 1016840305 /nfs/dbraw/zinc/84/03/05/1016840305.db2.gz HJTHOJIYCNCKDF-QGZVFWFLSA-N 1 2 349.434 3.730 20 0 EHADLO Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cs2)cc1 ZINC000275484404 1016901288 /nfs/dbraw/zinc/90/12/88/1016901288.db2.gz OQFQXEUYSJIXMN-MRXNPFEDSA-N 1 2 331.485 3.788 20 0 EHADLO Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)cs2)cc1 ZINC000275484404 1016901307 /nfs/dbraw/zinc/90/13/07/1016901307.db2.gz OQFQXEUYSJIXMN-MRXNPFEDSA-N 1 2 331.485 3.788 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000023863237 1016983719 /nfs/dbraw/zinc/98/37/19/1016983719.db2.gz MCXPLDBGLMBPMW-UHFFFAOYSA-N 1 2 342.420 3.565 20 0 EHADLO Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340374259 1017055909 /nfs/dbraw/zinc/05/59/09/1017055909.db2.gz QLJDIBTXDRIPJC-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000340374259 1017055922 /nfs/dbraw/zinc/05/59/22/1017055922.db2.gz QLJDIBTXDRIPJC-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO Cc1ccc(-c2cc(-c3nc([C@@H]([NH3+])CC(C)C)no3)[nH]n2)c(C)c1 ZINC000414617293 1017059280 /nfs/dbraw/zinc/05/92/80/1017059280.db2.gz LBNOYHUMXXZXFS-AWEZNQCLSA-N 1 2 325.416 3.789 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668415193 1032167231 /nfs/dbraw/zinc/16/72/31/1032167231.db2.gz UYFMHOLYDXPWEJ-MRXNPFEDSA-N 1 2 341.455 3.550 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c(=S)n1Cc1ccccc1 ZINC000176829555 1032225970 /nfs/dbraw/zinc/22/59/70/1032225970.db2.gz ZSHBQQOIIRHKJE-CQSZACIVSA-N 1 2 330.501 3.849 20 0 EHADLO Cc1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c(=S)n1Cc1ccccc1 ZINC000176829555 1032225988 /nfs/dbraw/zinc/22/59/88/1032225988.db2.gz ZSHBQQOIIRHKJE-CQSZACIVSA-N 1 2 330.501 3.849 20 0 EHADLO Cc1ccn2cc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)nc2c1 ZINC000449131700 1032226885 /nfs/dbraw/zinc/22/68/85/1032226885.db2.gz OYPWVGTYPPHEDR-AWEZNQCLSA-N 1 2 331.341 3.837 20 0 EHADLO Cc1c(Br)cccc1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000347347659 1032264184 /nfs/dbraw/zinc/26/41/84/1032264184.db2.gz JPJGLGOFWPLDRO-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000184217261 1032275018 /nfs/dbraw/zinc/27/50/18/1032275018.db2.gz KUXJELHEKDDNIT-BRWVUGGUSA-N 1 2 331.504 3.664 20 0 EHADLO CC(C)Cn1cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cn1 ZINC000278745297 1032282110 /nfs/dbraw/zinc/28/21/10/1032282110.db2.gz MTYCRBCKYTYLJU-JTQLQIEISA-N 1 2 332.395 3.865 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccs2)o1 ZINC000459585955 1032284379 /nfs/dbraw/zinc/28/43/79/1032284379.db2.gz DEHJBWBIEKFMKL-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccs2)o1 ZINC000459585955 1032284385 /nfs/dbraw/zinc/28/43/85/1032284385.db2.gz DEHJBWBIEKFMKL-UHFFFAOYSA-N 1 2 330.457 3.795 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C(C)C)C2(CO)CCCC2)c(C)[nH+]1 ZINC000459576036 1032302327 /nfs/dbraw/zinc/30/23/27/1032302327.db2.gz GFDAQFWLGLRIPO-KRWDZBQOSA-N 1 2 333.476 3.706 20 0 EHADLO Cc1nc(C)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000081571252 1032331450 /nfs/dbraw/zinc/33/14/50/1032331450.db2.gz DMDLZWVBARPMSH-OAHLLOKOSA-N 1 2 333.432 3.502 20 0 EHADLO Cc1nc(C)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000081571252 1032331461 /nfs/dbraw/zinc/33/14/61/1032331461.db2.gz DMDLZWVBARPMSH-OAHLLOKOSA-N 1 2 333.432 3.502 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1cccc(F)c1Br ZINC000449219193 1032335575 /nfs/dbraw/zinc/33/55/75/1032335575.db2.gz MOHIUVKIDBNZMP-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2csc(C)c2)c2nccn2C)cc1 ZINC000449217684 1032335760 /nfs/dbraw/zinc/33/57/60/1032335760.db2.gz AYVOFOIKPRGBGY-QGZVFWFLSA-N 1 2 327.453 3.678 20 0 EHADLO Clc1cc(CN2CC[NH+](Cc3ccncc3)CC2)c(Cl)s1 ZINC000449226393 1032344170 /nfs/dbraw/zinc/34/41/70/1032344170.db2.gz MQTMFZGAXXNZHU-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000459632828 1032348365 /nfs/dbraw/zinc/34/83/65/1032348365.db2.gz FVUXRVDHUIYJIK-UHFFFAOYSA-N 1 2 327.325 3.990 20 0 EHADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000184960605 1032349174 /nfs/dbraw/zinc/34/91/74/1032349174.db2.gz XIEPKKRDPHXJCQ-HNNXBMFYSA-N 1 2 344.480 3.848 20 0 EHADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000184960605 1032349183 /nfs/dbraw/zinc/34/91/83/1032349183.db2.gz XIEPKKRDPHXJCQ-HNNXBMFYSA-N 1 2 344.480 3.848 20 0 EHADLO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CO2 ZINC000185134346 1032353109 /nfs/dbraw/zinc/35/31/09/1032353109.db2.gz XYPCSZCASLBADJ-KRWDZBQOSA-N 1 2 333.391 3.808 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccoc1C(=O)OC ZINC000538425532 1032355608 /nfs/dbraw/zinc/35/56/08/1032355608.db2.gz IXJBWLRIKRTGLT-AWEZNQCLSA-N 1 2 331.412 3.842 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1OC1CCCCC1)Cn1cc[nH+]c1 ZINC000081800630 1032366850 /nfs/dbraw/zinc/36/68/50/1032366850.db2.gz MEJVGTYDYDVUSB-INIZCTEOSA-N 1 2 341.455 3.661 20 0 EHADLO COc1cc2c(c(C[NH2+][C@@H](C)c3nc4c(s3)CCC4)c1)O[C@H](C)C2 ZINC000459654754 1032376550 /nfs/dbraw/zinc/37/65/50/1032376550.db2.gz UEQHWYDASUCAKQ-NEPJUHHUSA-N 1 2 344.480 3.815 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000081936208 1032388684 /nfs/dbraw/zinc/38/86/84/1032388684.db2.gz QUVSUPLHFQDLIK-UHFFFAOYSA-N 1 2 340.471 3.690 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(OC(F)F)cc1C ZINC000459683887 1032384102 /nfs/dbraw/zinc/38/41/02/1032384102.db2.gz UMLFNDBCTLTXHO-UHFFFAOYSA-N 1 2 338.402 3.610 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000081944830 1032390673 /nfs/dbraw/zinc/39/06/73/1032390673.db2.gz PUQMBMQPTCUSEV-UHFFFAOYSA-N 1 2 342.487 3.860 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC12CC2 ZINC000528520763 1032398866 /nfs/dbraw/zinc/39/88/66/1032398866.db2.gz NGYHAYDHWHTOAT-GDBMZVCRSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC12CC2 ZINC000528520763 1032398871 /nfs/dbraw/zinc/39/88/71/1032398871.db2.gz NGYHAYDHWHTOAT-GDBMZVCRSA-N 1 2 348.437 3.626 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(O)(c3ccccc3)CC2)cs1 ZINC000185470350 1032399108 /nfs/dbraw/zinc/39/91/08/1032399108.db2.gz RPHOYSVMSPPFRS-HNNXBMFYSA-N 1 2 346.496 3.724 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC12CC2 ZINC000528520764 1032399411 /nfs/dbraw/zinc/39/94/11/1032399411.db2.gz NGYHAYDHWHTOAT-GOEBONIOSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC12CC2 ZINC000528520764 1032399417 /nfs/dbraw/zinc/39/94/17/1032399417.db2.gz NGYHAYDHWHTOAT-GOEBONIOSA-N 1 2 348.437 3.626 20 0 EHADLO OC1([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)CC1 ZINC000528522569 1032400671 /nfs/dbraw/zinc/40/06/71/1032400671.db2.gz SKLIZCTWPSWJQJ-LBPRGKRZSA-N 1 2 346.215 3.607 20 0 EHADLO OC1([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)CC1 ZINC000528522569 1032400678 /nfs/dbraw/zinc/40/06/78/1032400678.db2.gz SKLIZCTWPSWJQJ-LBPRGKRZSA-N 1 2 346.215 3.607 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000185494818 1032403368 /nfs/dbraw/zinc/40/33/68/1032403368.db2.gz XFYDJMQBJMSNPX-MRXNPFEDSA-N 1 2 328.481 3.700 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)c2ccccc2)CC1 ZINC000185494818 1032403378 /nfs/dbraw/zinc/40/33/78/1032403378.db2.gz XFYDJMQBJMSNPX-MRXNPFEDSA-N 1 2 328.481 3.700 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(F)cc1 ZINC000536903608 1032417135 /nfs/dbraw/zinc/41/71/35/1032417135.db2.gz FNOVMDJDUMMZMO-MRXNPFEDSA-N 1 2 328.366 3.991 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1 ZINC000536903608 1032417143 /nfs/dbraw/zinc/41/71/43/1032417143.db2.gz FNOVMDJDUMMZMO-MRXNPFEDSA-N 1 2 328.366 3.991 20 0 EHADLO Cc1ccncc1C[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449304182 1032422500 /nfs/dbraw/zinc/42/25/00/1032422500.db2.gz YQWRTVAYQSPZKA-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO Cc1ccncc1C[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449304182 1032422503 /nfs/dbraw/zinc/42/25/03/1032422503.db2.gz YQWRTVAYQSPZKA-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000449342062 1032457788 /nfs/dbraw/zinc/45/77/88/1032457788.db2.gz YTGODCRBLOVKKL-INIZCTEOSA-N 1 2 349.883 3.733 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000449342062 1032457797 /nfs/dbraw/zinc/45/77/97/1032457797.db2.gz YTGODCRBLOVKKL-INIZCTEOSA-N 1 2 349.883 3.733 20 0 EHADLO Cc1[nH+]c(NCc2ccc(OC(C)C)cc2)ccc1-c1cnn(C)c1 ZINC000449349230 1032464441 /nfs/dbraw/zinc/46/44/41/1032464441.db2.gz VYXFBWDSWKBUBN-UHFFFAOYSA-N 1 2 336.439 3.612 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)C(F)F ZINC000449364798 1032477429 /nfs/dbraw/zinc/47/74/29/1032477429.db2.gz UDTVNMPOPSFSRA-OAHLLOKOSA-N 1 2 336.382 3.803 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000537029234 1032492979 /nfs/dbraw/zinc/49/29/79/1032492979.db2.gz MKJNGZWMIWMPDY-CABCVRRESA-N 1 2 346.421 3.671 20 0 EHADLO CCCc1nc(C[N@@H+]2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)no1 ZINC000528619244 1032514350 /nfs/dbraw/zinc/51/43/50/1032514350.db2.gz GYFLYALXLCCZOU-INIZCTEOSA-N 1 2 329.444 3.656 20 0 EHADLO CCCc1nc(C[N@H+]2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)no1 ZINC000528619244 1032514354 /nfs/dbraw/zinc/51/43/54/1032514354.db2.gz GYFLYALXLCCZOU-INIZCTEOSA-N 1 2 329.444 3.656 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(F)c(F)c2)sc1Br ZINC000449400291 1032523853 /nfs/dbraw/zinc/52/38/53/1032523853.db2.gz HXSGCSLYQXHLNN-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1c1ccccc1 ZINC000449424840 1032538194 /nfs/dbraw/zinc/53/81/94/1032538194.db2.gz PJENVTIEPUTVQS-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1c1ccccc1 ZINC000449424840 1032538205 /nfs/dbraw/zinc/53/82/05/1032538205.db2.gz PJENVTIEPUTVQS-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cccc3cnoc32)cs1 ZINC001168109177 1032551584 /nfs/dbraw/zinc/55/15/84/1032551584.db2.gz VBEFPEOPCSQLBI-UHFFFAOYSA-N 1 2 348.497 3.691 20 0 EHADLO CC(C)CCn1cccc1C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000449465620 1032616348 /nfs/dbraw/zinc/61/63/48/1032616348.db2.gz AHFAESWNUTZXSF-UHFFFAOYSA-N 1 2 326.366 3.633 20 0 EHADLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(-c2ccccc2)n1 ZINC000091145811 1032640307 /nfs/dbraw/zinc/64/03/07/1032640307.db2.gz ONRVYHYVUGOICT-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO COc1cccc(C[NH2+]Cc2nn(CCC(C)C)c3ccccc23)n1 ZINC000449489165 1032649839 /nfs/dbraw/zinc/64/98/39/1032649839.db2.gz OTKNULISPDABPC-UHFFFAOYSA-N 1 2 338.455 3.776 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602115656 1032657473 /nfs/dbraw/zinc/65/74/73/1032657473.db2.gz JQNCXBQRYPAPQJ-YNEHKIRRSA-N 1 2 349.422 3.557 20 0 EHADLO c1ccc(C[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)cc1 ZINC000537372528 1032668528 /nfs/dbraw/zinc/66/85/28/1032668528.db2.gz JHMQRYJMURPBRH-NRFANRHFSA-N 1 2 345.446 3.587 20 0 EHADLO c1ccc(C[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)cc1 ZINC000537372528 1032668538 /nfs/dbraw/zinc/66/85/38/1032668538.db2.gz JHMQRYJMURPBRH-NRFANRHFSA-N 1 2 345.446 3.587 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246049718 1032670331 /nfs/dbraw/zinc/67/03/31/1032670331.db2.gz XYPPNDPQZZALPV-DKICVRJWSA-N 1 2 343.471 3.694 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001167284417 1017155734 /nfs/dbraw/zinc/15/57/34/1017155734.db2.gz YLKUGHHQPNVIIN-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001167284417 1017155745 /nfs/dbraw/zinc/15/57/45/1017155745.db2.gz YLKUGHHQPNVIIN-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc(C(C)C)[nH]c4=O)n3)[nH+]c12 ZINC000923876285 1017181112 /nfs/dbraw/zinc/18/11/12/1017181112.db2.gz DMHWFQSOFSEOIF-UHFFFAOYSA-N 1 2 349.394 3.508 20 0 EHADLO CCc1nn(C)cc1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683473875 1017215897 /nfs/dbraw/zinc/21/58/97/1017215897.db2.gz RHEOCJFOFBMVIJ-UHFFFAOYSA-N 1 2 335.455 3.794 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc2c(cc1Br)CCC2 ZINC000683456662 1017224899 /nfs/dbraw/zinc/22/48/99/1017224899.db2.gz JBARXLKSYBNBOQ-UHFFFAOYSA-N 1 2 348.244 3.553 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606449214 1032687957 /nfs/dbraw/zinc/68/79/57/1032687957.db2.gz QHZUYNKQAFKNRV-GUXCAODWSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606449214 1032687965 /nfs/dbraw/zinc/68/79/65/1032687965.db2.gz QHZUYNKQAFKNRV-GUXCAODWSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000332979271 1017276901 /nfs/dbraw/zinc/27/69/01/1017276901.db2.gz KJNBASYIHYFHLC-VBQJREDUSA-N 1 2 346.862 3.890 20 0 EHADLO Cc1ccc(Br)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377072566 1017302219 /nfs/dbraw/zinc/30/22/19/1017302219.db2.gz KAVLCKLYIIGYHN-LLVKDONJSA-N 1 2 334.217 3.539 20 0 EHADLO COc1ncc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)cc1Br ZINC001140161560 1017323722 /nfs/dbraw/zinc/32/37/22/1017323722.db2.gz MIQBXBYDBFFRMW-SNVBAGLBSA-N 1 2 349.219 3.720 20 0 EHADLO COc1ncc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)cc1Br ZINC001140161560 1017323731 /nfs/dbraw/zinc/32/37/31/1017323731.db2.gz MIQBXBYDBFFRMW-SNVBAGLBSA-N 1 2 349.219 3.720 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)sn1 ZINC000639139287 1017333879 /nfs/dbraw/zinc/33/38/79/1017333879.db2.gz HZOBIWPWVUUEOA-GFCCVEGCSA-N 1 2 343.221 3.576 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)[C@@H](CO)c1cccc(Br)c1 ZINC000851887763 1017336406 /nfs/dbraw/zinc/33/64/06/1017336406.db2.gz YXDLDZWTJIPKFD-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)[C@@H](CO)c1cccc(Br)c1 ZINC000851887763 1017336424 /nfs/dbraw/zinc/33/64/24/1017336424.db2.gz YXDLDZWTJIPKFD-NSHDSACASA-N 1 2 339.060 3.733 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCSC[C@@H]3C)o2)cc1 ZINC000606451821 1032698850 /nfs/dbraw/zinc/69/88/50/1032698850.db2.gz ZHZVFAFZITZPFW-AWEZNQCLSA-N 1 2 347.484 3.853 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCSC[C@@H]3C)o2)cc1 ZINC000606451821 1032698855 /nfs/dbraw/zinc/69/88/55/1032698855.db2.gz ZHZVFAFZITZPFW-AWEZNQCLSA-N 1 2 347.484 3.853 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450578 1032694669 /nfs/dbraw/zinc/69/46/69/1032694669.db2.gz IVHYTIZIABBVQR-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450578 1032694682 /nfs/dbraw/zinc/69/46/82/1032694682.db2.gz IVHYTIZIABBVQR-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO C[C@@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000547949541 1017518719 /nfs/dbraw/zinc/51/87/19/1017518719.db2.gz DJBWTYJOCCMCEW-PBHICJAKSA-N 1 2 342.443 3.642 20 0 EHADLO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc2N1 ZINC000081792714 1032704879 /nfs/dbraw/zinc/70/48/79/1032704879.db2.gz XFHPYKOHHVZUBJ-LJQANCHMSA-N 1 2 346.434 3.969 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccc(C)o1 ZINC000655744107 1017521684 /nfs/dbraw/zinc/52/16/84/1017521684.db2.gz WREUILZTQBMFKJ-LJQANCHMSA-N 1 2 339.439 3.868 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794599 1032705536 /nfs/dbraw/zinc/70/55/36/1032705536.db2.gz BCHDOTDJPHQJGA-HZPDHXFCSA-N 1 2 347.459 3.514 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794599 1032705553 /nfs/dbraw/zinc/70/55/53/1032705553.db2.gz BCHDOTDJPHQJGA-HZPDHXFCSA-N 1 2 347.459 3.514 20 0 EHADLO c1cn(-c2ccccc2CNc2nc(C3CC3)nc3c2CCC3)c[nH+]1 ZINC000091506229 1032706814 /nfs/dbraw/zinc/70/68/14/1032706814.db2.gz ATTRCOBQMGTCOL-UHFFFAOYSA-N 1 2 331.423 3.641 20 0 EHADLO Fc1cc2ncnc(NCc3ccccc3-n3cc[nH+]c3)c2cc1F ZINC000091506131 1032707134 /nfs/dbraw/zinc/70/71/34/1032707134.db2.gz MJPAJTGPELRAEQ-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000929130925 1032708203 /nfs/dbraw/zinc/70/82/03/1032708203.db2.gz GRENUXFILIPBOL-LLVKDONJSA-N 1 2 338.274 3.825 20 0 EHADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000929130925 1032708211 /nfs/dbraw/zinc/70/82/11/1032708211.db2.gz GRENUXFILIPBOL-LLVKDONJSA-N 1 2 338.274 3.825 20 0 EHADLO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCS2 ZINC000655793978 1017624579 /nfs/dbraw/zinc/62/45/79/1017624579.db2.gz FTZBLAKYAJBUQO-GJZGRUSLSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000655798087 1017639338 /nfs/dbraw/zinc/63/93/38/1017639338.db2.gz TULRUYYQUAUMLE-BBRMVZONSA-N 1 2 328.460 3.805 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1N(C)C ZINC000340418757 1017678495 /nfs/dbraw/zinc/67/84/95/1017678495.db2.gz BWJMRTCIDUIPRT-NEPJUHHUSA-N 1 2 349.276 3.717 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C2CCCC2)cc1 ZINC000655813783 1017679204 /nfs/dbraw/zinc/67/92/04/1017679204.db2.gz HWAILVJXUSRXSB-GOSISDBHSA-N 1 2 327.476 3.758 20 0 EHADLO Cc1cc(N2CCC[C@H]2C[C@@H](O)c2ccco2)nc(C2CCC2)[nH+]1 ZINC000892903839 1017679976 /nfs/dbraw/zinc/67/99/76/1017679976.db2.gz XSNJFJVLXBXILQ-JKSUJKDBSA-N 1 2 327.428 3.738 20 0 EHADLO c1sc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1-c1ccccc1 ZINC000655820063 1017697477 /nfs/dbraw/zinc/69/74/77/1017697477.db2.gz QXBJHYTXJGPIGW-INIZCTEOSA-N 1 2 340.452 3.675 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000472748191 1017700025 /nfs/dbraw/zinc/70/00/25/1017700025.db2.gz HZGCFSRHTYFKLP-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1cccc(OCC[N@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000472748191 1017700040 /nfs/dbraw/zinc/70/00/40/1017700040.db2.gz HZGCFSRHTYFKLP-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000048400593 1017703308 /nfs/dbraw/zinc/70/33/08/1017703308.db2.gz CCFWNHWGNDVIJK-CYBMUJFWSA-N 1 2 344.224 3.506 20 0 EHADLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1F ZINC000048400593 1017703318 /nfs/dbraw/zinc/70/33/18/1017703318.db2.gz CCFWNHWGNDVIJK-CYBMUJFWSA-N 1 2 344.224 3.506 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000121573294 1017730905 /nfs/dbraw/zinc/73/09/05/1017730905.db2.gz JZYGKPWBIVSTRA-UHFFFAOYSA-N 1 2 343.496 3.736 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ncc(Br)cn1 ZINC000340424465 1017735185 /nfs/dbraw/zinc/73/51/85/1017735185.db2.gz QVSNHFIHTRKYQL-XPTSAGLGSA-N 1 2 336.208 3.716 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000340428667 1017760960 /nfs/dbraw/zinc/76/09/60/1017760960.db2.gz XUBWRSDOYIROQV-QMTHXVAHSA-N 1 2 348.244 3.586 20 0 EHADLO Cc1nc(C2CCC2)sc1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000891016213 1017808400 /nfs/dbraw/zinc/80/84/00/1017808400.db2.gz IIKHFVNSVZCBOC-UHFFFAOYSA-N 1 2 326.425 3.548 20 0 EHADLO CC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000377464228 1017854506 /nfs/dbraw/zinc/85/45/06/1017854506.db2.gz LYFXDKAQYZBBES-SFHVURJKSA-N 1 2 338.455 3.501 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000066792105 1017913775 /nfs/dbraw/zinc/91/37/75/1017913775.db2.gz SNOSIMINEVEMLI-KXBFYZLASA-N 1 2 341.430 3.662 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000066792105 1017913794 /nfs/dbraw/zinc/91/37/94/1017913794.db2.gz SNOSIMINEVEMLI-KXBFYZLASA-N 1 2 341.430 3.662 20 0 EHADLO COC(=O)c1ccc2nc(SCc3ccc(C)[nH+]c3C)oc2c1 ZINC000614083599 1017970323 /nfs/dbraw/zinc/97/03/23/1017970323.db2.gz COKIDSMDNANDFG-UHFFFAOYSA-N 1 2 328.393 3.919 20 0 EHADLO O=C(CCCc1ccsc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000783042056 1018091759 /nfs/dbraw/zinc/09/17/59/1018091759.db2.gz MKTPAYYMUOBZDB-UHFFFAOYSA-N 1 2 343.427 3.712 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000644658478 1018162212 /nfs/dbraw/zinc/16/22/12/1018162212.db2.gz BFZNRCPFWAEULJ-MXWKQRLJSA-N 1 2 341.299 3.909 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000644658478 1018162221 /nfs/dbraw/zinc/16/22/21/1018162221.db2.gz BFZNRCPFWAEULJ-MXWKQRLJSA-N 1 2 341.299 3.909 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)C1 ZINC000122082072 1018177740 /nfs/dbraw/zinc/17/77/40/1018177740.db2.gz BUKBKXFADNQUAL-DLBZAZTESA-N 1 2 340.471 3.509 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cn1ccc(-c3ccc(F)cc3)n1)CC2 ZINC000728708183 1018211666 /nfs/dbraw/zinc/21/16/66/1018211666.db2.gz YPNZTXHLDGZGLN-UHFFFAOYSA-N 1 2 337.398 3.714 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cn1ccc(-c3ccc(F)cc3)n1)CC2 ZINC000728708183 1018211678 /nfs/dbraw/zinc/21/16/78/1018211678.db2.gz YPNZTXHLDGZGLN-UHFFFAOYSA-N 1 2 337.398 3.714 20 0 EHADLO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000340528206 1018221780 /nfs/dbraw/zinc/22/17/80/1018221780.db2.gz MGWWNBCNCISNSV-RBUKOAKNSA-N 1 2 348.450 3.603 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091981167 1032750067 /nfs/dbraw/zinc/75/00/67/1032750067.db2.gz SMHVSASQRGHZGK-CQSZACIVSA-N 1 2 331.435 3.563 20 0 EHADLO CCc1noc(C)c1CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091981167 1032750077 /nfs/dbraw/zinc/75/00/77/1032750077.db2.gz SMHVSASQRGHZGK-CQSZACIVSA-N 1 2 331.435 3.563 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000651015200 1018266578 /nfs/dbraw/zinc/26/65/78/1018266578.db2.gz FWYWEMWSIFNRAA-UHFFFAOYSA-N 1 2 339.483 3.666 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000149542968 1018302492 /nfs/dbraw/zinc/30/24/92/1018302492.db2.gz ICWSQBWPLXHZQY-ZDUSSCGKSA-N 1 2 341.361 3.968 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000651034853 1018303089 /nfs/dbraw/zinc/30/30/89/1018303089.db2.gz MWZQDSBZTFSCBX-IBGZPJMESA-N 1 2 343.858 3.683 20 0 EHADLO CCc1ccc([C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)C)cc1 ZINC000651047346 1018325275 /nfs/dbraw/zinc/32/52/75/1018325275.db2.gz WHNALVWBQPPNSN-NRFANRHFSA-N 1 2 339.483 3.838 20 0 EHADLO CCCOc1cccc(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000460706936 1018378002 /nfs/dbraw/zinc/37/80/02/1018378002.db2.gz BZOQDVHTHCOGCH-IBGZPJMESA-N 1 2 348.487 3.551 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000606580264 1032765313 /nfs/dbraw/zinc/76/53/13/1032765313.db2.gz HAPRVCUAHJCRMG-UHFFFAOYSA-N 1 2 349.369 3.545 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4ccnn4C)C3)o2)cc1 ZINC000897558203 1032765642 /nfs/dbraw/zinc/76/56/42/1032765642.db2.gz FRITYCAPLUJREC-FQEVSTJZSA-N 1 2 337.423 3.562 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4ccnn4C)C3)o2)cc1 ZINC000897558203 1032765659 /nfs/dbraw/zinc/76/56/59/1032765659.db2.gz FRITYCAPLUJREC-FQEVSTJZSA-N 1 2 337.423 3.562 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000606583405 1032766331 /nfs/dbraw/zinc/76/63/31/1032766331.db2.gz ABGVGJWKMAPWKO-IBGZPJMESA-N 1 2 343.390 3.640 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)c1ncn(C)n1 ZINC000275753682 1018511471 /nfs/dbraw/zinc/51/14/71/1018511471.db2.gz SBBBKXVNQLSWPV-IINYFYTJSA-N 1 2 338.427 3.858 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1 ZINC000606583479 1032768867 /nfs/dbraw/zinc/76/88/67/1032768867.db2.gz CPFWRWCWUMTBPQ-QGZVFWFLSA-N 1 2 326.375 3.992 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000651179733 1018564303 /nfs/dbraw/zinc/56/43/03/1018564303.db2.gz LTTHTCRMJFDODD-LJQANCHMSA-N 1 2 337.467 3.742 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069973 1018590396 /nfs/dbraw/zinc/59/03/96/1018590396.db2.gz JXHHZIFHQWMXFB-GJZGRUSLSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069973 1018590402 /nfs/dbraw/zinc/59/04/02/1018590402.db2.gz JXHHZIFHQWMXFB-GJZGRUSLSA-N 1 2 327.428 3.749 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000659875598 1018607518 /nfs/dbraw/zinc/60/75/18/1018607518.db2.gz OGSMXRXGWZVLOF-CABCVRRESA-N 1 2 349.381 3.688 20 0 EHADLO FC1(F)C[C@@H]1OCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000659875598 1018607524 /nfs/dbraw/zinc/60/75/24/1018607524.db2.gz OGSMXRXGWZVLOF-CABCVRRESA-N 1 2 349.381 3.688 20 0 EHADLO COc1cc(Nc2ccc3nccnc3c2Br)cc(C)[nH+]1 ZINC001210781005 1018677197 /nfs/dbraw/zinc/67/71/97/1018677197.db2.gz LVRJBRSKHIHQHH-UHFFFAOYSA-N 1 2 345.200 3.848 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2F)c(C)c[nH+]1 ZINC000580159320 1018723841 /nfs/dbraw/zinc/72/38/41/1018723841.db2.gz BYYTXHJKAQNNPP-KRWDZBQOSA-N 1 2 331.366 3.768 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000052163972 1018772129 /nfs/dbraw/zinc/77/21/29/1018772129.db2.gz XYPBUXDTJDQCHF-QGZVFWFLSA-N 1 2 340.467 3.737 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000052163972 1018772147 /nfs/dbraw/zinc/77/21/47/1018772147.db2.gz XYPBUXDTJDQCHF-QGZVFWFLSA-N 1 2 340.467 3.737 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000052356506 1018802377 /nfs/dbraw/zinc/80/23/77/1018802377.db2.gz XULGBPAEESLRSX-FQEVSTJZSA-N 1 2 333.435 3.764 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)n1cccn1 ZINC000614353570 1018834457 /nfs/dbraw/zinc/83/44/57/1018834457.db2.gz OUAWDRRVQIUTNU-HNNXBMFYSA-N 1 2 349.438 3.673 20 0 EHADLO Cc1ccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c(C)c1O ZINC000255268780 1018851726 /nfs/dbraw/zinc/85/17/26/1018851726.db2.gz JGGULEVASDOYTR-POHAHGRESA-N 1 2 333.391 3.847 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213656 1018876198 /nfs/dbraw/zinc/87/61/98/1018876198.db2.gz FGVWAJQSYQCJHH-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213656 1018876216 /nfs/dbraw/zinc/87/62/16/1018876216.db2.gz FGVWAJQSYQCJHH-OAHLLOKOSA-N 1 2 339.277 3.502 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000576401097 1018923739 /nfs/dbraw/zinc/92/37/39/1018923739.db2.gz ZULICIFMYQRTIK-GFCCVEGCSA-N 1 2 345.855 3.918 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000255193064 1018999774 /nfs/dbraw/zinc/99/97/74/1018999774.db2.gz TXQLINUODSSGEB-AKKGJHILSA-N 1 2 348.805 3.647 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000255193064 1018999796 /nfs/dbraw/zinc/99/97/96/1018999796.db2.gz TXQLINUODSSGEB-AKKGJHILSA-N 1 2 348.805 3.647 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000513133345 1019054841 /nfs/dbraw/zinc/05/48/41/1019054841.db2.gz GXALHUZUDNBBIX-IBGZPJMESA-N 1 2 342.370 3.535 20 0 EHADLO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccnc(Cl)c3Cl)C2)n1 ZINC000897576223 1032809211 /nfs/dbraw/zinc/80/92/11/1032809211.db2.gz CBAIEJIGNDZTOZ-LLVKDONJSA-N 1 2 341.242 3.535 20 0 EHADLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)n1 ZINC000897576223 1032809223 /nfs/dbraw/zinc/80/92/23/1032809223.db2.gz CBAIEJIGNDZTOZ-LLVKDONJSA-N 1 2 341.242 3.535 20 0 EHADLO CCCC1CCC(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000726239737 1019169389 /nfs/dbraw/zinc/16/93/89/1019169389.db2.gz XVAAPHKNEMHVPG-UHFFFAOYSA-N 1 2 333.476 3.865 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000255941189 1019248161 /nfs/dbraw/zinc/24/81/61/1019248161.db2.gz OHJYULSLPNVGBL-YLJYHZDGSA-N 1 2 337.467 3.560 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804268 1019266012 /nfs/dbraw/zinc/26/60/12/1019266012.db2.gz FJWXNSOBKARVGQ-CQSZACIVSA-N 1 2 335.498 3.851 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804268 1019266020 /nfs/dbraw/zinc/26/60/20/1019266020.db2.gz FJWXNSOBKARVGQ-CQSZACIVSA-N 1 2 335.498 3.851 20 0 EHADLO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729340421 1019298725 /nfs/dbraw/zinc/29/87/25/1019298725.db2.gz GBWLIDMMGYAQOE-CJNGLKHVSA-N 1 2 349.862 3.535 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCCC3)OC(C)(C)C2)c(C)[nH+]1 ZINC000408469240 1019317669 /nfs/dbraw/zinc/31/76/69/1019317669.db2.gz RWQWUJCSDSGDGI-UHFFFAOYSA-N 1 2 331.460 3.962 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)s1 ZINC000283866428 1019323491 /nfs/dbraw/zinc/32/34/91/1019323491.db2.gz GMBAVKNGVNPSCU-UHFFFAOYSA-N 1 2 340.496 3.975 20 0 EHADLO Cc1nc(N2CCC(c3ccc4cccnc4n3)CC2)c(C)c(C)[nH+]1 ZINC000656214960 1019341190 /nfs/dbraw/zinc/34/11/90/1019341190.db2.gz NDKDUMSHQJSJPL-UHFFFAOYSA-N 1 2 333.439 3.729 20 0 EHADLO COC(=O)c1ccc(CNc2ccc(C)[nH+]c2C)c(Br)c1 ZINC000340687978 1019343067 /nfs/dbraw/zinc/34/30/67/1019343067.db2.gz IHGGTCLHJRKTQL-UHFFFAOYSA-N 1 2 349.228 3.860 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2F)cn1 ZINC000676721452 1019367347 /nfs/dbraw/zinc/36/73/47/1019367347.db2.gz PAANEGZGOSUVHD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2F)cn1 ZINC000676721452 1019367360 /nfs/dbraw/zinc/36/73/60/1019367360.db2.gz PAANEGZGOSUVHD-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1nc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c2c([nH+]1)CCCC2 ZINC000656229716 1019447965 /nfs/dbraw/zinc/44/79/65/1019447965.db2.gz ZHSIORARIVRDSA-SMDDNHRTSA-N 1 2 329.366 3.576 20 0 EHADLO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F)c1ccccc1 ZINC000513236003 1019461716 /nfs/dbraw/zinc/46/17/16/1019461716.db2.gz HKRLABIYTJOJTO-YJYMSZOUSA-N 1 2 347.409 3.524 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(Br)c(C)c2)c[nH+]1 ZINC000397009450 1032831951 /nfs/dbraw/zinc/83/19/51/1032831951.db2.gz HQFZGHUQQJIQCR-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CCSc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000614481996 1019517420 /nfs/dbraw/zinc/51/74/20/1019517420.db2.gz SALSGWLBJLZFCO-UHFFFAOYSA-N 1 2 346.521 3.818 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)s1 ZINC000683969555 1019550050 /nfs/dbraw/zinc/55/00/50/1019550050.db2.gz SXXXBLKEWRSOKY-UHFFFAOYSA-N 1 2 343.496 3.918 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cc(Cl)ccc2OC(F)F)[nH+]1 ZINC000433781755 1019604731 /nfs/dbraw/zinc/60/47/31/1019604731.db2.gz XXFWYACOKZWVOH-UHFFFAOYSA-N 1 2 338.745 3.555 20 0 EHADLO Fc1ccc2ccc(NCc3ccc(Cn4cc[nH+]c4)cc3)nc2c1 ZINC000433800514 1019644798 /nfs/dbraw/zinc/64/47/98/1019644798.db2.gz VKHGOAFEOYXXTP-UHFFFAOYSA-N 1 2 332.382 3.653 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000513433813 1019664305 /nfs/dbraw/zinc/66/43/05/1019664305.db2.gz ZFIKQRWFAGDGAO-ZIBATOQPSA-N 1 2 329.362 3.739 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)cn1 ZINC000656253834 1019669763 /nfs/dbraw/zinc/66/97/63/1019669763.db2.gz XZXDSTLFWGDXHW-UHFFFAOYSA-N 1 2 343.862 3.683 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)cn1 ZINC000656253834 1019669777 /nfs/dbraw/zinc/66/97/77/1019669777.db2.gz XZXDSTLFWGDXHW-UHFFFAOYSA-N 1 2 343.862 3.683 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(Cc2ccccc2Cl)CC1 ZINC000275922215 1019713135 /nfs/dbraw/zinc/71/31/35/1019713135.db2.gz ZLKCPPCTPMHXPA-UHFFFAOYSA-N 1 2 343.858 3.792 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000656257927 1019713782 /nfs/dbraw/zinc/71/37/82/1019713782.db2.gz MRLDPNKQUAUSDL-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000656257927 1019713801 /nfs/dbraw/zinc/71/38/01/1019713801.db2.gz MRLDPNKQUAUSDL-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1C2CC3CC(C2)CC1C3 ZINC000340734720 1019747956 /nfs/dbraw/zinc/74/79/56/1019747956.db2.gz GKTDLDPSYYKWLF-UHFFFAOYSA-N 1 2 335.451 3.769 20 0 EHADLO FC1(F)CC12C[NH+](Cc1ccc(Br)c3cccnc13)C2 ZINC000656265727 1019785001 /nfs/dbraw/zinc/78/50/01/1019785001.db2.gz GJHKPMQPMWYQSE-UHFFFAOYSA-N 1 2 339.183 3.838 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)c(F)c(C)c2)Cc2nn(CC)cc21 ZINC001143380702 1019805726 /nfs/dbraw/zinc/80/57/26/1019805726.db2.gz RIJBBZCJSKAPGC-KRWDZBQOSA-N 1 2 345.462 3.795 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(F)c(C)c2)Cc2nn(CC)cc21 ZINC001143380702 1019805738 /nfs/dbraw/zinc/80/57/38/1019805738.db2.gz RIJBBZCJSKAPGC-KRWDZBQOSA-N 1 2 345.462 3.795 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000122984264 1019808835 /nfs/dbraw/zinc/80/88/35/1019808835.db2.gz XQUYMXBMEOYESU-GHMZBOCLSA-N 1 2 329.425 3.617 20 0 EHADLO CC(C)C[C@H](C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)c1ccccc1 ZINC000656269849 1019819718 /nfs/dbraw/zinc/81/97/18/1019819718.db2.gz USTGKGQPLYYEFI-IAGOWNOFSA-N 1 2 328.460 3.576 20 0 EHADLO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1F)CC2 ZINC001167429733 1019832597 /nfs/dbraw/zinc/83/25/97/1019832597.db2.gz NDWLTNFHUZULQN-GFCCVEGCSA-N 1 2 346.229 3.908 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000050449317 1019929428 /nfs/dbraw/zinc/92/94/28/1019929428.db2.gz DPVDICRUBLDYCB-UHFFFAOYSA-N 1 2 328.456 3.540 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000123122615 1019962937 /nfs/dbraw/zinc/96/29/37/1019962937.db2.gz NWIDOGVXWROIFV-YWZLYKJASA-N 1 2 348.450 3.771 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(Br)cnc2F)c(C)[nH+]1 ZINC001125473744 1020025570 /nfs/dbraw/zinc/02/55/70/1020025570.db2.gz LEEMCWYFKYEEMK-UHFFFAOYSA-N 1 2 338.180 3.556 20 0 EHADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000580810664 1020048890 /nfs/dbraw/zinc/04/88/90/1020048890.db2.gz HODXOVITQYKPGX-CYBMUJFWSA-N 1 2 339.370 3.917 20 0 EHADLO Clc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1ccon1 ZINC000760332505 1032872965 /nfs/dbraw/zinc/87/29/65/1032872965.db2.gz ZNXWUGKOSYLSBZ-CYBMUJFWSA-N 1 2 327.609 3.868 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2cc3c(cc2Br)OCO3)[C@@H]1C ZINC000345247344 1020096292 /nfs/dbraw/zinc/09/62/92/1020096292.db2.gz SAEDWEHSWBCVCR-NXEZZACHSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2cc3c(cc2Br)OCO3)[C@@H]1C ZINC000345247344 1020096299 /nfs/dbraw/zinc/09/62/99/1020096299.db2.gz SAEDWEHSWBCVCR-NXEZZACHSA-N 1 2 344.274 3.504 20 0 EHADLO CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1(C)C ZINC000280145218 1020112167 /nfs/dbraw/zinc/11/21/67/1020112167.db2.gz XQEIYOFDIZVNQL-CVEARBPZSA-N 1 2 339.439 3.965 20 0 EHADLO O=S(=O)(CC[NH+]1CCC(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000684093458 1020136258 /nfs/dbraw/zinc/13/62/58/1020136258.db2.gz VAOUNFHJZWSHJX-UHFFFAOYSA-N 1 2 339.476 3.502 20 0 EHADLO Cc1sc2ncnc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1C ZINC000345343731 1020163242 /nfs/dbraw/zinc/16/32/42/1020163242.db2.gz PUHTWTDOZBZLRA-FZMZJTMJSA-N 1 2 327.457 3.592 20 0 EHADLO CC[N@@H+]1CCO[C@H](CN[C@H](C)c2csc(C)n2)[C@H]1c1ccccc1 ZINC000345327601 1020173323 /nfs/dbraw/zinc/17/33/23/1020173323.db2.gz JAZXBSHHOSHMII-NIKGAXFTSA-N 1 2 345.512 3.564 20 0 EHADLO CC[N@H+]1CCO[C@H](CN[C@H](C)c2csc(C)n2)[C@H]1c1ccccc1 ZINC000345327601 1020173332 /nfs/dbraw/zinc/17/33/32/1020173332.db2.gz JAZXBSHHOSHMII-NIKGAXFTSA-N 1 2 345.512 3.564 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528834655 1032887630 /nfs/dbraw/zinc/88/76/30/1032887630.db2.gz UMCMDTMZLFEXMK-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528834655 1032887638 /nfs/dbraw/zinc/88/76/38/1032887638.db2.gz UMCMDTMZLFEXMK-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO Cc1c[nH+]cc(Nc2cncc(F)c2I)c1C ZINC001213523740 1020284653 /nfs/dbraw/zinc/28/46/53/1020284653.db2.gz ZXDIBNCSYXYNPC-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO C[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000345483806 1020291938 /nfs/dbraw/zinc/29/19/38/1020291938.db2.gz MCOBREDPAIEIQL-DYVFJYSZSA-N 1 2 330.815 3.518 20 0 EHADLO O=C(c1cc2c(s1)CCCCC2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345463166 1020301705 /nfs/dbraw/zinc/30/17/05/1020301705.db2.gz NFIHYAGQOCPBKE-INIZCTEOSA-N 1 2 342.464 3.706 20 0 EHADLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1cscn1)C2 ZINC000933045711 1020310686 /nfs/dbraw/zinc/31/06/86/1020310686.db2.gz TUPYXDMNROVWHP-QGZVFWFLSA-N 1 2 337.489 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cscn1)C2 ZINC000933045711 1020310696 /nfs/dbraw/zinc/31/06/96/1020310696.db2.gz TUPYXDMNROVWHP-QGZVFWFLSA-N 1 2 337.489 3.509 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)[C@@H]1C ZINC000706787663 1020368723 /nfs/dbraw/zinc/36/87/23/1020368723.db2.gz IYOZBTJSFWCUIZ-RKDXNWHRSA-N 1 2 335.616 3.785 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)[C@@H]1C ZINC000706787663 1020368735 /nfs/dbraw/zinc/36/87/35/1020368735.db2.gz IYOZBTJSFWCUIZ-RKDXNWHRSA-N 1 2 335.616 3.785 20 0 EHADLO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(C)c1 ZINC001167446865 1020440132 /nfs/dbraw/zinc/44/01/32/1020440132.db2.gz FCQZYQRHMJBAAQ-UHFFFAOYSA-N 1 2 342.870 3.801 20 0 EHADLO Cc1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(C)c1 ZINC001167446865 1020440138 /nfs/dbraw/zinc/44/01/38/1020440138.db2.gz FCQZYQRHMJBAAQ-UHFFFAOYSA-N 1 2 342.870 3.801 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(C(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000933106030 1020538909 /nfs/dbraw/zinc/53/89/09/1020538909.db2.gz MGVZXCMVJFULBT-IUODEOHRSA-N 1 2 334.370 3.936 20 0 EHADLO CCCC[C@H](CC)COCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001168111418 1032910408 /nfs/dbraw/zinc/91/04/08/1032910408.db2.gz GYASWZZBHNHDAJ-SFHVURJKSA-N 1 2 349.519 3.953 20 0 EHADLO Clc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898935 1020584333 /nfs/dbraw/zinc/58/43/33/1020584333.db2.gz GQIZQNLJDUILRC-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898935 1020584348 /nfs/dbraw/zinc/58/43/48/1020584348.db2.gz GQIZQNLJDUILRC-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000345952433 1020627432 /nfs/dbraw/zinc/62/74/32/1020627432.db2.gz LOAIZYWOAKKZRE-DJIMGWMZSA-N 1 2 341.480 3.572 20 0 EHADLO O=c1cc(CSCc2ccc(-n3cc[nH+]c3)cc2)nc(C2CC2)[nH]1 ZINC000419460797 1020652255 /nfs/dbraw/zinc/65/22/55/1020652255.db2.gz GMFNINCMFWHGAM-UHFFFAOYSA-N 1 2 338.436 3.679 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)NC1CCCCCC1 ZINC000026877717 1020665185 /nfs/dbraw/zinc/66/51/85/1020665185.db2.gz WFADVPBQYFXJRK-OAQYLSRUSA-N 1 2 337.467 3.600 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1cn(CC2CC2)nn1 ZINC000419466568 1020672912 /nfs/dbraw/zinc/67/29/12/1020672912.db2.gz QVGJLCDCMFHNTR-UHFFFAOYSA-N 1 2 339.468 3.616 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000093885920 1032920785 /nfs/dbraw/zinc/92/07/85/1032920785.db2.gz DXIYXUBAWXIEAO-AWEZNQCLSA-N 1 2 342.443 3.917 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000093885920 1032920798 /nfs/dbraw/zinc/92/07/98/1032920798.db2.gz DXIYXUBAWXIEAO-AWEZNQCLSA-N 1 2 342.443 3.917 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)cc2[nH+]1 ZINC000340960308 1020682971 /nfs/dbraw/zinc/68/29/71/1020682971.db2.gz QRFDUPNEIDKJQZ-UHFFFAOYSA-N 1 2 329.743 3.506 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3ccc(CSC(F)F)o3)cn21 ZINC000069024662 1020754193 /nfs/dbraw/zinc/75/41/93/1020754193.db2.gz WBBPNZMJFDGOKN-UHFFFAOYSA-N 1 2 337.395 3.981 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1F ZINC000340984689 1020755350 /nfs/dbraw/zinc/75/53/50/1020755350.db2.gz VXSIDPXYIANXTN-UHFFFAOYSA-N 1 2 327.359 3.590 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c(OC)c1 ZINC000069748846 1020799442 /nfs/dbraw/zinc/79/94/42/1020799442.db2.gz ADRXGXUAFUSUPJ-SWLSCSKDSA-N 1 2 331.412 3.719 20 0 EHADLO CN(Cc1cccc(F)c1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340999333 1020805597 /nfs/dbraw/zinc/80/55/97/1020805597.db2.gz URWVGZSYJASUMB-GOSISDBHSA-N 1 2 337.398 3.729 20 0 EHADLO Cc1ccc(CN(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341005620 1020828589 /nfs/dbraw/zinc/82/85/89/1020828589.db2.gz WJAYXEAIGUDPAC-IBGZPJMESA-N 1 2 333.435 3.899 20 0 EHADLO CCn1c[nH+]c2c1CCN([C@H](C)c1ccc(Br)cc1)C2 ZINC000933255656 1020829167 /nfs/dbraw/zinc/82/91/67/1020829167.db2.gz OGUYASDIFNFIOP-GFCCVEGCSA-N 1 2 334.261 3.785 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000341009471 1020839568 /nfs/dbraw/zinc/83/95/68/1020839568.db2.gz GSADEUHBWFQBDN-LBPRGKRZSA-N 1 2 340.427 3.590 20 0 EHADLO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000389779639 1020848909 /nfs/dbraw/zinc/84/89/09/1020848909.db2.gz GTMHGOJCNFXEFK-WMLDXEAASA-N 1 2 330.859 3.656 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C(C)C)cc1 ZINC000341023005 1020874000 /nfs/dbraw/zinc/87/40/00/1020874000.db2.gz YDTCLGRDRAOUEJ-HNNXBMFYSA-N 1 2 343.349 3.670 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2c(C)nc3scc(C4CC4)n23)cn1 ZINC000656540871 1020882521 /nfs/dbraw/zinc/88/25/21/1020882521.db2.gz HQACMAXIEIRHTI-UHFFFAOYSA-N 1 2 342.468 3.617 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2c(C)nc3scc(C4CC4)n23)cn1 ZINC000656540871 1020882527 /nfs/dbraw/zinc/88/25/27/1020882527.db2.gz HQACMAXIEIRHTI-UHFFFAOYSA-N 1 2 342.468 3.617 20 0 EHADLO Cc1cc2c(s1)N(c1ccn3ncnc3c1)c1ccccc1NC2=[NH2+] ZINC001167463279 1020918810 /nfs/dbraw/zinc/91/88/10/1020918810.db2.gz IZJNZUDAKUQFPO-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO Cc1cc2c(s1)N(c1ccc3nncn3c1)c1ccccc1NC2=[NH2+] ZINC001167463302 1020919443 /nfs/dbraw/zinc/91/94/43/1020919443.db2.gz JWNFFRXJRPRNAK-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147035 1021009651 /nfs/dbraw/zinc/00/96/51/1021009651.db2.gz YKXOLGSFEMODOD-WDEREUQCSA-N 1 2 345.306 3.685 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147035 1021009658 /nfs/dbraw/zinc/00/96/58/1021009658.db2.gz YKXOLGSFEMODOD-WDEREUQCSA-N 1 2 345.306 3.685 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581520356 1021043930 /nfs/dbraw/zinc/04/39/30/1021043930.db2.gz SJLHTSZQOKJTHC-GOSISDBHSA-N 1 2 347.462 3.968 20 0 EHADLO Cc1nc(N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc[nH+]1 ZINC000593508489 1032951797 /nfs/dbraw/zinc/95/17/97/1032951797.db2.gz GZHPFVNZTCFTDU-CVEARBPZSA-N 1 2 325.412 3.767 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)ccc2[nH+]1 ZINC000341201129 1021088824 /nfs/dbraw/zinc/08/88/24/1021088824.db2.gz FDMSVTXUALBOAT-CHWSQXEVSA-N 1 2 327.334 3.663 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581578337 1021109873 /nfs/dbraw/zinc/10/98/73/1021109873.db2.gz XPJHXYSEJQZOKU-QUCCMNQESA-N 1 2 339.483 3.949 20 0 EHADLO Brc1ccc2[nH]c(NCc3cnc(C4CC4)s3)[nH+]c2c1 ZINC000581587444 1021116949 /nfs/dbraw/zinc/11/69/49/1021116949.db2.gz KHYSAJUEJFNRAT-UHFFFAOYSA-N 1 2 349.257 3.693 20 0 EHADLO Brc1ccc2[nH+]c(NCc3cnc(C4CC4)s3)[nH]c2c1 ZINC000581587444 1021116954 /nfs/dbraw/zinc/11/69/54/1021116954.db2.gz KHYSAJUEJFNRAT-UHFFFAOYSA-N 1 2 349.257 3.693 20 0 EHADLO C[C@@H](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000341222890 1021125419 /nfs/dbraw/zinc/12/54/19/1021125419.db2.gz ZXLSFBHQBZGXSP-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581610751 1021149632 /nfs/dbraw/zinc/14/96/32/1021149632.db2.gz BLEAYPHAMJNFDE-STQMWFEESA-N 1 2 339.361 3.600 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000656681388 1021159422 /nfs/dbraw/zinc/15/94/22/1021159422.db2.gz FIGVCDSXDXNCRO-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000341242194 1021162175 /nfs/dbraw/zinc/16/21/75/1021162175.db2.gz ZREPPEQYGNXFCW-YESZJQIVSA-N 1 2 330.476 3.542 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCc2ccc(F)cc21 ZINC001167475226 1021211086 /nfs/dbraw/zinc/21/10/86/1021211086.db2.gz XMJBOXNFYIEJHC-HXUWFJFHSA-N 1 2 336.414 3.916 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCc2ccc(F)cc21 ZINC001167475226 1021211100 /nfs/dbraw/zinc/21/11/00/1021211100.db2.gz XMJBOXNFYIEJHC-HXUWFJFHSA-N 1 2 336.414 3.916 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000426312923 1021245603 /nfs/dbraw/zinc/24/56/03/1021245603.db2.gz UUIJZHINGXPMRX-MRXNPFEDSA-N 1 2 349.434 3.980 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c(C2CCC2)cnn1C ZINC000656772609 1021313685 /nfs/dbraw/zinc/31/36/85/1021313685.db2.gz USQNJXSVFDNWCB-UHFFFAOYSA-N 1 2 327.407 3.808 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)n1C ZINC000341291600 1021346771 /nfs/dbraw/zinc/34/67/71/1021346771.db2.gz VJJZXGXNBHNWML-SFHVURJKSA-N 1 2 340.858 3.851 20 0 EHADLO Cc1c[nH+]c(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)n1C ZINC000341291600 1021346790 /nfs/dbraw/zinc/34/67/90/1021346790.db2.gz VJJZXGXNBHNWML-SFHVURJKSA-N 1 2 340.858 3.851 20 0 EHADLO COc1cc(C)cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1O ZINC000436910045 1021353176 /nfs/dbraw/zinc/35/31/76/1021353176.db2.gz MXTKBUJIRSGDFS-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO CCCCC[C@@H](C)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270140480 1021358942 /nfs/dbraw/zinc/35/89/42/1021358942.db2.gz KYRXKDCRYYEPHV-CQSZACIVSA-N 1 2 334.426 3.832 20 0 EHADLO CCCCC[C@@H](C)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270140480 1021358952 /nfs/dbraw/zinc/35/89/52/1021358952.db2.gz KYRXKDCRYYEPHV-CQSZACIVSA-N 1 2 334.426 3.832 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ccc(C(F)(F)F)cn2)c(C)[nH+]1 ZINC000341295293 1021370291 /nfs/dbraw/zinc/37/02/91/1021370291.db2.gz WLXZIJZYHOJCOS-JOCHJYFZSA-N 1 2 328.359 3.561 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)cc2[nH+]1 ZINC000341295560 1021371373 /nfs/dbraw/zinc/37/13/73/1021371373.db2.gz XXUBYGSULFCFND-NEPJUHHUSA-N 1 2 327.334 3.892 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](CC(C)C)c2ccccc2OC)s1 ZINC000894323468 1021372481 /nfs/dbraw/zinc/37/24/81/1021372481.db2.gz MHLWFOYHOPLGQI-AWEZNQCLSA-N 1 2 348.468 3.815 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(Br)s1)C(C)(C)C ZINC000507669021 1021427364 /nfs/dbraw/zinc/42/73/64/1021427364.db2.gz MCSXKFYKXXAKIP-UHFFFAOYSA-N 1 2 334.279 3.674 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(Br)s1)C(C)(C)C ZINC000507669021 1021427371 /nfs/dbraw/zinc/42/73/71/1021427371.db2.gz MCSXKFYKXXAKIP-UHFFFAOYSA-N 1 2 334.279 3.674 20 0 EHADLO COc1cc(C)cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1O ZINC000436938866 1021401894 /nfs/dbraw/zinc/40/18/94/1021401894.db2.gz NNOFXYDULUCCQL-UHFFFAOYSA-N 1 2 348.362 3.612 20 0 EHADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000507671148 1021428009 /nfs/dbraw/zinc/42/80/09/1021428009.db2.gz DIVUTVBEYZAWED-CQSZACIVSA-N 1 2 334.385 3.983 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000427483557 1021431811 /nfs/dbraw/zinc/43/18/11/1021431811.db2.gz HPURNIIMAMGUCP-UHFFFAOYSA-N 1 2 332.816 3.676 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3ccn(C)c(=O)c3c2)n1-c1ccccc1 ZINC000341334043 1021450272 /nfs/dbraw/zinc/45/02/72/1021450272.db2.gz HODQTJRUCMVSES-UHFFFAOYSA-N 1 2 344.418 3.645 20 0 EHADLO Fc1cccc2c3c([nH]c21)C[N@@H+](CCO[C@@H]1CCCCO1)CCC3 ZINC000439477099 1021471976 /nfs/dbraw/zinc/47/19/76/1021471976.db2.gz SWLHFKVPKLYKMU-GOSISDBHSA-N 1 2 332.419 3.598 20 0 EHADLO Fc1cccc2c3c([nH]c21)C[N@H+](CCO[C@@H]1CCCCO1)CCC3 ZINC000439477099 1021471983 /nfs/dbraw/zinc/47/19/83/1021471983.db2.gz SWLHFKVPKLYKMU-GOSISDBHSA-N 1 2 332.419 3.598 20 0 EHADLO C[C@H](F)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425682226 1021479215 /nfs/dbraw/zinc/47/92/15/1021479215.db2.gz KWYZJAHEJHGJKF-ZDUSSCGKSA-N 1 2 330.407 3.756 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)n1 ZINC000439483528 1021490481 /nfs/dbraw/zinc/49/04/81/1021490481.db2.gz KXDXFUXOEOKAMI-UHFFFAOYSA-N 1 2 326.419 3.569 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)n1 ZINC000439483528 1021490484 /nfs/dbraw/zinc/49/04/84/1021490484.db2.gz KXDXFUXOEOKAMI-UHFFFAOYSA-N 1 2 326.419 3.569 20 0 EHADLO O=C(NC[C@H]1CC12CC2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000518732999 1021491124 /nfs/dbraw/zinc/49/11/24/1021491124.db2.gz GHADXNLCNPALAX-OAHLLOKOSA-N 1 2 334.423 3.523 20 0 EHADLO COc1ccc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cc1 ZINC000516511692 1021503536 /nfs/dbraw/zinc/50/35/36/1021503536.db2.gz ZQCQSBMRQQHOPE-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncn(Cc3cccc(F)c3)n1)CC2 ZINC000437077443 1021526642 /nfs/dbraw/zinc/52/66/42/1021526642.db2.gz LJHIISVXEYWRMG-LJQANCHMSA-N 1 2 336.414 3.551 20 0 EHADLO Cn1c[nH+]cc1CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC000439546407 1021534006 /nfs/dbraw/zinc/53/40/06/1021534006.db2.gz IQFAUERJKXILNN-UHFFFAOYSA-N 1 2 338.358 3.917 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000518783471 1021572287 /nfs/dbraw/zinc/57/22/87/1021572287.db2.gz MQEXICFMXMQPGU-IEBWSBKVSA-N 1 2 343.515 3.589 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000171084996 1032994099 /nfs/dbraw/zinc/99/40/99/1032994099.db2.gz LPDJVNUJHLBCDF-UHFFFAOYSA-N 1 2 347.789 3.717 20 0 EHADLO CC(C)(C)c1csc(C[NH+]2CCC(Oc3ccccn3)CC2)n1 ZINC000440605578 1021647302 /nfs/dbraw/zinc/64/73/02/1021647302.db2.gz MOBRMDDUGHEVAJ-UHFFFAOYSA-N 1 2 331.485 3.879 20 0 EHADLO CCOc1cccc(C[N@H+](C)Cc2ccc(Br)s2)n1 ZINC000506005252 1021677952 /nfs/dbraw/zinc/67/79/52/1021677952.db2.gz SEZYUDJVACEDQY-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CCOc1cccc(C[N@@H+](C)Cc2ccc(Br)s2)n1 ZINC000506005252 1021677958 /nfs/dbraw/zinc/67/79/58/1021677958.db2.gz SEZYUDJVACEDQY-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000506675572 1021696229 /nfs/dbraw/zinc/69/62/29/1021696229.db2.gz LCTGXGVGCANHOX-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000506675572 1021696242 /nfs/dbraw/zinc/69/62/42/1021696242.db2.gz LCTGXGVGCANHOX-UHFFFAOYSA-N 1 2 325.380 3.916 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1F ZINC000341398783 1021704358 /nfs/dbraw/zinc/70/43/58/1021704358.db2.gz DXZNOZYWFGWPFL-UHFFFAOYSA-N 1 2 347.459 3.661 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000439795966 1021718883 /nfs/dbraw/zinc/71/88/83/1021718883.db2.gz VYFAZLNENIEHKU-FHWLQOOXSA-N 1 2 337.467 3.549 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(C2CC2)no1 ZINC000440733318 1021734305 /nfs/dbraw/zinc/73/43/05/1021734305.db2.gz XBCAEAPXIWDIGX-UHFFFAOYSA-N 1 2 328.759 3.643 20 0 EHADLO c1[nH+]cn2ccnc(N3CCC(c4nc5ccccc5s4)CC3)c12 ZINC000891494494 1021756341 /nfs/dbraw/zinc/75/63/41/1021756341.db2.gz CCVQKSGIOIFNLZ-UHFFFAOYSA-N 1 2 335.436 3.723 20 0 EHADLO CC[C@H](F)C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000440787064 1021778004 /nfs/dbraw/zinc/77/80/04/1021778004.db2.gz UZUHLGNXTJOWHK-KRWDZBQOSA-N 1 2 344.430 3.922 20 0 EHADLO CC[C@H](F)C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000440787064 1021778020 /nfs/dbraw/zinc/77/80/20/1021778020.db2.gz UZUHLGNXTJOWHK-KRWDZBQOSA-N 1 2 344.430 3.922 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC2(C)C)c(C)c1 ZINC000440791400 1021784985 /nfs/dbraw/zinc/78/49/85/1021784985.db2.gz JTXRHQFKMCRFMA-SJLPKXTDSA-N 1 2 340.471 3.587 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)ccc1OC ZINC000426522417 1021787880 /nfs/dbraw/zinc/78/78/80/1021787880.db2.gz KESVZXWZPYASQZ-UHFFFAOYSA-N 1 2 345.414 3.765 20 0 EHADLO CCOCc1cc(C[N@H+]2CCOc3ccc(F)cc3C2)ccc1OC ZINC000426522417 1021787891 /nfs/dbraw/zinc/78/78/91/1021787891.db2.gz KESVZXWZPYASQZ-UHFFFAOYSA-N 1 2 345.414 3.765 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1OCc1ccccc1 ZINC000506711374 1021789845 /nfs/dbraw/zinc/78/98/45/1021789845.db2.gz PQQPOUDJRHLOLG-UHFFFAOYSA-N 1 2 340.467 3.612 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1OCc1ccccc1 ZINC000506711374 1021789857 /nfs/dbraw/zinc/78/98/57/1021789857.db2.gz PQQPOUDJRHLOLG-UHFFFAOYSA-N 1 2 340.467 3.612 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000519941080 1021802156 /nfs/dbraw/zinc/80/21/56/1021802156.db2.gz VCDAQMBWZRQFJI-BWPNAZKDSA-N 1 2 344.499 3.628 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000519941080 1021802170 /nfs/dbraw/zinc/80/21/70/1021802170.db2.gz VCDAQMBWZRQFJI-BWPNAZKDSA-N 1 2 344.499 3.628 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc2[nH]ccc21 ZINC000516874007 1021808080 /nfs/dbraw/zinc/80/80/80/1021808080.db2.gz CRUWWYZGRDFTQB-SHTZXODSSA-N 1 2 334.423 3.716 20 0 EHADLO Cc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccn1C(C)C ZINC000569349198 1021827022 /nfs/dbraw/zinc/82/70/22/1021827022.db2.gz GWCXFNZVSXQWCE-QAQDUYKDSA-N 1 2 340.471 3.926 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440895073 1021852163 /nfs/dbraw/zinc/85/21/63/1021852163.db2.gz ORAIFNHMIBKOGY-IAGOWNOFSA-N 1 2 340.467 3.861 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440895073 1021852176 /nfs/dbraw/zinc/85/21/76/1021852176.db2.gz ORAIFNHMIBKOGY-IAGOWNOFSA-N 1 2 340.467 3.861 20 0 EHADLO C[C@@]1(F)CCC[N@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140458625 1021884212 /nfs/dbraw/zinc/88/42/12/1021884212.db2.gz UHUQSQOKMLKFNK-CQSZACIVSA-N 1 2 326.213 3.649 20 0 EHADLO C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140458625 1021884224 /nfs/dbraw/zinc/88/42/24/1021884224.db2.gz UHUQSQOKMLKFNK-CQSZACIVSA-N 1 2 326.213 3.649 20 0 EHADLO CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000506746138 1021921353 /nfs/dbraw/zinc/92/13/53/1021921353.db2.gz DKEBOHKWCZKRLV-GOSISDBHSA-N 1 2 349.434 3.739 20 0 EHADLO CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000506746138 1021921362 /nfs/dbraw/zinc/92/13/62/1021921362.db2.gz DKEBOHKWCZKRLV-GOSISDBHSA-N 1 2 349.434 3.739 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000341445660 1021922829 /nfs/dbraw/zinc/92/28/29/1021922829.db2.gz BZAUETQOCUHCDK-KRWDZBQOSA-N 1 2 333.391 3.629 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cs1 ZINC000276596655 1021939174 /nfs/dbraw/zinc/93/91/74/1021939174.db2.gz FJCFJLMSXTWNSY-CYBMUJFWSA-N 1 2 332.469 3.929 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000897628001 1033016931 /nfs/dbraw/zinc/01/69/31/1033016931.db2.gz ZUGROUIPUWBIKH-WBVHZDCISA-N 1 2 329.419 3.518 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCCc3occc3C1)OCO2 ZINC000519232121 1021949720 /nfs/dbraw/zinc/94/97/20/1021949720.db2.gz MVUWEUCONZZLGQ-UHFFFAOYSA-N 1 2 337.322 3.558 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCCc3occc3C1)OCO2 ZINC000519232121 1021949727 /nfs/dbraw/zinc/94/97/27/1021949727.db2.gz MVUWEUCONZZLGQ-UHFFFAOYSA-N 1 2 337.322 3.558 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CC[C@H]3CCOC3)CCO2)cc1Cl ZINC000437599887 1021971813 /nfs/dbraw/zinc/97/18/13/1021971813.db2.gz HDXLDNQVCGHXNU-BLLLJJGKSA-N 1 2 330.255 3.793 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CC[C@H]3CCOC3)CCO2)cc1Cl ZINC000437599887 1021971821 /nfs/dbraw/zinc/97/18/21/1021971821.db2.gz HDXLDNQVCGHXNU-BLLLJJGKSA-N 1 2 330.255 3.793 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@@H]1c1ccccc1 ZINC000437581698 1021972767 /nfs/dbraw/zinc/97/27/67/1021972767.db2.gz MFIMIZIQSUIXOM-ZBFHGGJFSA-N 1 2 330.501 3.620 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nsc(N(C)C)n2)CC[C@@H]1c1ccccc1 ZINC000437581698 1021972779 /nfs/dbraw/zinc/97/27/79/1021972779.db2.gz MFIMIZIQSUIXOM-ZBFHGGJFSA-N 1 2 330.501 3.620 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2OC)c(OC)c1 ZINC001143399997 1021976314 /nfs/dbraw/zinc/97/63/14/1021976314.db2.gz IOMZNMQVYDLSED-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2OC)c(OC)c1 ZINC001143399997 1021976325 /nfs/dbraw/zinc/97/63/25/1021976325.db2.gz IOMZNMQVYDLSED-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000520174971 1021988313 /nfs/dbraw/zinc/98/83/13/1021988313.db2.gz NMFGUJOWWGYWJD-KRWDZBQOSA-N 1 2 340.467 3.901 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000520174971 1021988324 /nfs/dbraw/zinc/98/83/24/1021988324.db2.gz NMFGUJOWWGYWJD-KRWDZBQOSA-N 1 2 340.467 3.901 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675454 1033021310 /nfs/dbraw/zinc/02/13/10/1033021310.db2.gz ZXMQXDWPXNTANZ-MUWHJKNJSA-N 1 2 334.190 3.800 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675454 1033021318 /nfs/dbraw/zinc/02/13/18/1033021318.db2.gz ZXMQXDWPXNTANZ-MUWHJKNJSA-N 1 2 334.190 3.800 20 0 EHADLO Cc1nsc(C)c1-c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000426593657 1022005673 /nfs/dbraw/zinc/00/56/73/1022005673.db2.gz PJTCLMRZWHMQRB-UHFFFAOYSA-N 1 2 337.408 3.971 20 0 EHADLO C[C@H](CC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)n1cc[nH+]c1 ZINC000520235338 1022047734 /nfs/dbraw/zinc/04/77/34/1022047734.db2.gz XXJYNPUOINTCNB-GFCCVEGCSA-N 1 2 337.345 3.659 20 0 EHADLO CCC(=O)c1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000471762547 1022084243 /nfs/dbraw/zinc/08/42/43/1022084243.db2.gz XBODXOXKXCNLGU-UHFFFAOYSA-N 1 2 340.423 3.572 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1nsc2ccccc12 ZINC000894403477 1022146009 /nfs/dbraw/zinc/14/60/09/1022146009.db2.gz QMNNIDBLXCDVLX-UHFFFAOYSA-N 1 2 338.440 3.803 20 0 EHADLO Cn1c(C[NH2+][C@H]2COc3ccc(F)cc32)nc2cc(Cl)ccc21 ZINC000341536984 1022165225 /nfs/dbraw/zinc/16/52/25/1022165225.db2.gz VRHBKMXNJJFALL-AWEZNQCLSA-N 1 2 331.778 3.589 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)C[C@@H](C)CC3)CCO2 ZINC000341539473 1022169768 /nfs/dbraw/zinc/16/97/68/1022169768.db2.gz BPOJVDCBAAMKHY-SWLSCSKDSA-N 1 2 344.480 3.890 20 0 EHADLO Cc1ccc([C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C2CC2)cc1 ZINC000506141452 1022179653 /nfs/dbraw/zinc/17/96/53/1022179653.db2.gz WXGFOPJBLRWUSB-BSIFCXSSSA-N 1 2 349.478 3.730 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000187846030 1022253831 /nfs/dbraw/zinc/25/38/31/1022253831.db2.gz XLSWECPHJDOKAA-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)s1 ZINC000894443070 1022287239 /nfs/dbraw/zinc/28/72/39/1022287239.db2.gz CJIZFLMNBVCPMG-DOMZBBRYSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)s1 ZINC000894443070 1022287242 /nfs/dbraw/zinc/28/72/42/1022287242.db2.gz CJIZFLMNBVCPMG-DOMZBBRYSA-N 1 2 346.452 3.521 20 0 EHADLO Cc1noc(C)c1CCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000142500610 1033044300 /nfs/dbraw/zinc/04/43/00/1033044300.db2.gz PHRFUJFRHDWEEY-UHFFFAOYSA-N 1 2 338.411 3.870 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276698871 1022344387 /nfs/dbraw/zinc/34/43/87/1022344387.db2.gz BHIBQDAZTWAANM-GFCCVEGCSA-N 1 2 332.835 3.515 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cs1 ZINC000894486940 1022383600 /nfs/dbraw/zinc/38/36/00/1022383600.db2.gz ZZBMKDCFUGGIMR-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cs1 ZINC000894486940 1022383615 /nfs/dbraw/zinc/38/36/15/1022383615.db2.gz ZZBMKDCFUGGIMR-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c1Cl ZINC000894490310 1022398926 /nfs/dbraw/zinc/39/89/26/1022398926.db2.gz OYRWLXTXRKTILD-HNNXBMFYSA-N 1 2 349.862 3.555 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ccco1 ZINC000341586373 1022409634 /nfs/dbraw/zinc/40/96/34/1022409634.db2.gz PHQFKLPPDRTZGS-KRWDZBQOSA-N 1 2 336.395 3.512 20 0 EHADLO CCCn1ncnc1C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000581924069 1022409836 /nfs/dbraw/zinc/40/98/36/1022409836.db2.gz TYKHOTLNUSSHBD-UHFFFAOYSA-N 1 2 349.276 3.620 20 0 EHADLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1c1cccnc1 ZINC000664824039 1022448778 /nfs/dbraw/zinc/44/87/78/1022448778.db2.gz RVMMXOFYPQKFJG-GFCCVEGCSA-N 1 2 338.320 3.679 20 0 EHADLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1c1cccnc1 ZINC000664824039 1022448785 /nfs/dbraw/zinc/44/87/85/1022448785.db2.gz RVMMXOFYPQKFJG-GFCCVEGCSA-N 1 2 338.320 3.679 20 0 EHADLO Cc1cc(F)ncc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000891724652 1022472547 /nfs/dbraw/zinc/47/25/47/1022472547.db2.gz HOTHBARIZVJIKO-UHFFFAOYSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826991 1022490997 /nfs/dbraw/zinc/49/09/97/1022490997.db2.gz DOVIVXDKLRUSLF-QFBILLFUSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826991 1022491002 /nfs/dbraw/zinc/49/10/02/1022491002.db2.gz DOVIVXDKLRUSLF-QFBILLFUSA-N 1 2 341.499 3.860 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2ncc(Cl)s2)cc1OC ZINC000349566490 1022524160 /nfs/dbraw/zinc/52/41/60/1022524160.db2.gz SLBJKNZYLPXKDH-JTQLQIEISA-N 1 2 326.849 3.973 20 0 EHADLO c1cnn(-c2ccc(NCc3c[nH+]cn3Cc3ccccc3)cc2)c1 ZINC000438314880 1022537713 /nfs/dbraw/zinc/53/77/13/1022537713.db2.gz JQVLNANJXKYYEV-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO CC[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000550127383 1022541939 /nfs/dbraw/zinc/54/19/39/1022541939.db2.gz INGYXMUZUQNVOI-VQIMIIECSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000550127383 1022541971 /nfs/dbraw/zinc/54/19/71/1022541971.db2.gz INGYXMUZUQNVOI-VQIMIIECSA-N 1 2 326.440 3.668 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000438302077 1022542495 /nfs/dbraw/zinc/54/24/95/1022542495.db2.gz HGBSYGLJVYYVKD-BEFAXECRSA-N 1 2 329.415 3.612 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2csc(Br)c2)c(C)n1 ZINC000891752948 1022546934 /nfs/dbraw/zinc/54/69/34/1022546934.db2.gz QHJRNKWOKWXSPW-UHFFFAOYSA-N 1 2 328.279 3.667 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2csc(Br)c2)c(C)n1 ZINC000891752948 1022546940 /nfs/dbraw/zinc/54/69/40/1022546940.db2.gz QHJRNKWOKWXSPW-UHFFFAOYSA-N 1 2 328.279 3.667 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccccc1OCc1ccccc1 ZINC000276744752 1022560149 /nfs/dbraw/zinc/56/01/49/1022560149.db2.gz ZNFTZRNAELWEHZ-CVEARBPZSA-N 1 2 336.439 3.806 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)C/C=C/c2ccncc2)c1 ZINC000425980690 1022566162 /nfs/dbraw/zinc/56/61/62/1022566162.db2.gz OLIJHSDINALAEF-ONEGZZNKSA-N 1 2 347.256 3.998 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)C/C=C/c2ccncc2)c1 ZINC000425980690 1022566171 /nfs/dbraw/zinc/56/61/71/1022566171.db2.gz OLIJHSDINALAEF-ONEGZZNKSA-N 1 2 347.256 3.998 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[C@H]1c1ccccc1)C2 ZINC000476228883 1033065066 /nfs/dbraw/zinc/06/50/66/1033065066.db2.gz YGIKDXFCVLOHTP-GMBSWORKSA-N 1 2 337.467 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@H]1c1ccccc1)CC2 ZINC000476228883 1033065079 /nfs/dbraw/zinc/06/50/79/1033065079.db2.gz YGIKDXFCVLOHTP-GMBSWORKSA-N 1 2 337.467 3.858 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833607 1022589681 /nfs/dbraw/zinc/58/96/81/1022589681.db2.gz QECNAFQZVSFQSZ-ACJLOTCBSA-N 1 2 334.423 3.612 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833607 1022589692 /nfs/dbraw/zinc/58/96/92/1022589692.db2.gz QECNAFQZVSFQSZ-ACJLOTCBSA-N 1 2 334.423 3.612 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341622340 1022596982 /nfs/dbraw/zinc/59/69/82/1022596982.db2.gz XCBOAHVASFAQPG-QGZVFWFLSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834456 1022605011 /nfs/dbraw/zinc/60/50/11/1022605011.db2.gz ZFIAVVKSMXKIEJ-LPHOPBHVSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834456 1022605019 /nfs/dbraw/zinc/60/50/19/1022605019.db2.gz ZFIAVVKSMXKIEJ-LPHOPBHVSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C(F)=C3CCC3)n2)O1 ZINC000665001546 1022623516 /nfs/dbraw/zinc/62/35/16/1022623516.db2.gz XHITXTBQNPSTBW-CZUORRHYSA-N 1 2 343.402 3.896 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C(F)=C3CCC3)n2)O1 ZINC000665001546 1022623521 /nfs/dbraw/zinc/62/35/21/1022623521.db2.gz XHITXTBQNPSTBW-CZUORRHYSA-N 1 2 343.402 3.896 20 0 EHADLO Cc1cc(F)c(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c(F)c1 ZINC000425337577 1022644151 /nfs/dbraw/zinc/64/41/51/1022644151.db2.gz NYCUMERVJIZLRU-OAHLLOKOSA-N 1 2 331.410 3.547 20 0 EHADLO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000430747773 1022647973 /nfs/dbraw/zinc/64/79/73/1022647973.db2.gz ZBWOPKJKWQNAOK-UXLLHSPISA-N 1 2 328.460 3.688 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2F)[C@H](C)CO1 ZINC000441435012 1022663347 /nfs/dbraw/zinc/66/33/47/1022663347.db2.gz DHYFGBFXKLAJDY-UZLBHIALSA-N 1 2 329.415 3.975 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2F)[C@H](C)CO1 ZINC000441435012 1022663356 /nfs/dbraw/zinc/66/33/56/1022663356.db2.gz DHYFGBFXKLAJDY-UZLBHIALSA-N 1 2 329.415 3.975 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430770024 1022674016 /nfs/dbraw/zinc/67/40/16/1022674016.db2.gz MUMAUTCEWRJWJB-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430770024 1022674021 /nfs/dbraw/zinc/67/40/21/1022674021.db2.gz MUMAUTCEWRJWJB-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012214 1022716146 /nfs/dbraw/zinc/71/61/46/1022716146.db2.gz MPEROHBIQPZWLS-DDBAPUKQSA-N 1 2 341.455 3.935 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012214 1022716155 /nfs/dbraw/zinc/71/61/55/1022716155.db2.gz MPEROHBIQPZWLS-DDBAPUKQSA-N 1 2 341.455 3.935 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1C ZINC000438494844 1022721461 /nfs/dbraw/zinc/72/14/61/1022721461.db2.gz OTCXBRLXTNNCFR-NRFANRHFSA-N 1 2 338.451 3.680 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1C ZINC000438494844 1022721471 /nfs/dbraw/zinc/72/14/71/1022721471.db2.gz OTCXBRLXTNNCFR-NRFANRHFSA-N 1 2 338.451 3.680 20 0 EHADLO COC1CCC(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)CC1 ZINC000894749674 1022845886 /nfs/dbraw/zinc/84/58/86/1022845886.db2.gz BXNFMSIAMGYTEF-UHFFFAOYSA-N 1 2 349.475 3.723 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761038434 1033086076 /nfs/dbraw/zinc/08/60/76/1033086076.db2.gz ANHLQAGQKGRSEB-SNVBAGLBSA-N 1 2 331.288 3.535 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761038434 1033086092 /nfs/dbraw/zinc/08/60/92/1033086092.db2.gz ANHLQAGQKGRSEB-SNVBAGLBSA-N 1 2 331.288 3.535 20 0 EHADLO C[C@@H](CCc1c(F)cccc1F)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000510676424 1022865828 /nfs/dbraw/zinc/86/58/28/1022865828.db2.gz VJDUTPDSVRKZHX-AWEZNQCLSA-N 1 2 347.409 3.630 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000894779715 1022898916 /nfs/dbraw/zinc/89/89/16/1022898916.db2.gz MWEVMHYVFQVFCL-INIZCTEOSA-N 1 2 329.444 3.706 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(F)cc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000574404261 1033091478 /nfs/dbraw/zinc/09/14/78/1033091478.db2.gz NLMGSBMAKMKKLN-SECBINFHSA-N 1 2 340.280 3.895 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000607377629 1033092853 /nfs/dbraw/zinc/09/28/53/1033092853.db2.gz XJMKSQNWHPPQJV-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(C2CCCC2)n1 ZINC000891824392 1022941787 /nfs/dbraw/zinc/94/17/87/1022941787.db2.gz BGMJBNWIKJQBHG-INIZCTEOSA-N 1 2 331.485 3.713 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(C2CCCC2)n1 ZINC000891824392 1022941790 /nfs/dbraw/zinc/94/17/90/1022941790.db2.gz BGMJBNWIKJQBHG-INIZCTEOSA-N 1 2 331.485 3.713 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189188951 1022971227 /nfs/dbraw/zinc/97/12/27/1022971227.db2.gz OMUKCARDIVVGLQ-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189188951 1022971240 /nfs/dbraw/zinc/97/12/40/1022971240.db2.gz OMUKCARDIVVGLQ-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000294200095 1022992113 /nfs/dbraw/zinc/99/21/13/1022992113.db2.gz RLHRBGQIIPAVEQ-DLBZAZTESA-N 1 2 333.863 3.817 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000294200095 1022992119 /nfs/dbraw/zinc/99/21/19/1022992119.db2.gz RLHRBGQIIPAVEQ-DLBZAZTESA-N 1 2 333.863 3.817 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccsc1Cl ZINC000189284776 1022995040 /nfs/dbraw/zinc/99/50/40/1022995040.db2.gz OVWKXKULSBFOLD-UHFFFAOYSA-N 1 2 346.843 3.968 20 0 EHADLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)c(OC(F)F)cc1C ZINC000509548549 1023027598 /nfs/dbraw/zinc/02/75/98/1023027598.db2.gz IBPYGCRIQAASPN-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)c(OC(F)F)cc1C ZINC000509548549 1023027609 /nfs/dbraw/zinc/02/76/09/1023027609.db2.gz IBPYGCRIQAASPN-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO O=C(NC(c1cccs1)c1cccs1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548420112 1023053039 /nfs/dbraw/zinc/05/30/39/1023053039.db2.gz NXCCDNXKJVKHHR-NSHDSACASA-N 1 2 343.477 3.858 20 0 EHADLO C[C@@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000506993737 1023067283 /nfs/dbraw/zinc/06/72/83/1023067283.db2.gz YSDROLCXHCIVHR-AWEZNQCLSA-N 1 2 347.397 3.998 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[C@H]1C ZINC000431005318 1023098227 /nfs/dbraw/zinc/09/82/27/1023098227.db2.gz KOTJCSCZKZKLFB-ICUGJSFKSA-N 1 2 332.492 3.548 20 0 EHADLO Clc1cccc(C2(C[NH2+][C@@H](c3cccs3)c3nnc[nH]3)CC2)c1 ZINC000294814109 1023106364 /nfs/dbraw/zinc/10/63/64/1023106364.db2.gz PYNSHUBZHCBYQQ-HNNXBMFYSA-N 1 2 344.871 3.930 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441479007 1023120869 /nfs/dbraw/zinc/12/08/69/1023120869.db2.gz GRBFFKCTQNZDFF-NLWGTHIKSA-N 1 2 325.456 3.794 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878347 1033108228 /nfs/dbraw/zinc/10/82/28/1033108228.db2.gz KNPBGZJJIZGQCD-MJGOQNOKSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878347 1033108234 /nfs/dbraw/zinc/10/82/34/1033108234.db2.gz KNPBGZJJIZGQCD-MJGOQNOKSA-N 1 2 331.843 3.665 20 0 EHADLO O=C(/C=C/C1CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000079539458 1033108980 /nfs/dbraw/zinc/10/89/80/1033108980.db2.gz AZIFMJKNUWZSNL-FDMDGMSGSA-N 1 2 336.838 3.698 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000427007503 1023155685 /nfs/dbraw/zinc/15/56/85/1023155685.db2.gz HOACYEJULAUEHD-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000427007503 1023155690 /nfs/dbraw/zinc/15/56/90/1023155690.db2.gz HOACYEJULAUEHD-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO Fc1c(Br)ccc(C[NH2+]Cc2cnc(C3CC3)o2)c1F ZINC000527715312 1033110157 /nfs/dbraw/zinc/11/01/57/1033110157.db2.gz CJHCORCRFBAVTH-UHFFFAOYSA-N 1 2 343.171 3.883 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000441484364 1023171423 /nfs/dbraw/zinc/17/14/23/1023171423.db2.gz AFVGRDNRBLNZSJ-GOSISDBHSA-N 1 2 337.423 3.881 20 0 EHADLO Fc1cnc2c(c1)nccc2NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341727075 1023190146 /nfs/dbraw/zinc/19/01/46/1023190146.db2.gz IRKLDUOCFPGCFT-UHFFFAOYSA-N 1 2 333.370 3.626 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(C)C ZINC000438983074 1023190917 /nfs/dbraw/zinc/19/09/17/1023190917.db2.gz GRRYNPCAHMGUSM-TZMCWYRMSA-N 1 2 349.276 3.990 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000427081866 1023204548 /nfs/dbraw/zinc/20/45/48/1023204548.db2.gz UJRWKZIEAQXICF-IAGOWNOFSA-N 1 2 330.447 3.777 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+](C)Cc1nccn1C(F)F ZINC000507259449 1023215854 /nfs/dbraw/zinc/21/58/54/1023215854.db2.gz AKNVSNJYEPUSFF-GXDHUFHOSA-N 1 2 335.398 3.960 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000507259449 1023215860 /nfs/dbraw/zinc/21/58/60/1023215860.db2.gz AKNVSNJYEPUSFF-GXDHUFHOSA-N 1 2 335.398 3.960 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000518307893 1023220899 /nfs/dbraw/zinc/22/08/99/1023220899.db2.gz JILCPCKAKRVONF-UHFFFAOYSA-N 1 2 340.402 3.769 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000518307893 1023220904 /nfs/dbraw/zinc/22/09/04/1023220904.db2.gz JILCPCKAKRVONF-UHFFFAOYSA-N 1 2 340.402 3.769 20 0 EHADLO CNC(=O)c1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000341744868 1023233319 /nfs/dbraw/zinc/23/33/19/1023233319.db2.gz QMWSAWGIMCQSOB-UHFFFAOYSA-N 1 2 325.799 3.860 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)o1 ZINC000276865056 1023258579 /nfs/dbraw/zinc/25/85/79/1023258579.db2.gz VBJWTBJPJOLUKX-UHFFFAOYSA-N 1 2 333.407 3.550 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CCn4cccc4[C@H]3c3ccccc3)cc12 ZINC000507353979 1023262838 /nfs/dbraw/zinc/26/28/38/1023262838.db2.gz CERXKYSVZQXMAT-HXUWFJFHSA-N 1 2 343.434 3.673 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CCn4cccc4[C@H]3c3ccccc3)cc12 ZINC000507353979 1023262845 /nfs/dbraw/zinc/26/28/45/1023262845.db2.gz CERXKYSVZQXMAT-HXUWFJFHSA-N 1 2 343.434 3.673 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC12CCCCC2 ZINC000180312131 1023266459 /nfs/dbraw/zinc/26/64/59/1023266459.db2.gz UURQZUIZLPDZKD-QGZVFWFLSA-N 1 2 342.418 3.533 20 0 EHADLO COc1ccccc1C[NH+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001203437422 1023274336 /nfs/dbraw/zinc/27/43/36/1023274336.db2.gz ACNFUCKNAZVNNQ-HUUCEWRRSA-N 1 2 334.460 3.525 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cccc1 ZINC000520492296 1023282801 /nfs/dbraw/zinc/28/28/01/1023282801.db2.gz BPQQINWUXHJPAZ-LSDHHAIUSA-N 1 2 346.500 3.766 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cccc1 ZINC000520492296 1023282804 /nfs/dbraw/zinc/28/28/04/1023282804.db2.gz BPQQINWUXHJPAZ-LSDHHAIUSA-N 1 2 346.500 3.766 20 0 EHADLO COc1cc2c(cc1OC)[C@H](Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000684555796 1023299752 /nfs/dbraw/zinc/29/97/52/1023299752.db2.gz XVOZGJFDSISEPJ-GOSISDBHSA-N 1 2 335.407 3.989 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000341829782 1023408189 /nfs/dbraw/zinc/40/81/89/1023408189.db2.gz CVNNHYODPDPAGI-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1ccoc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000092452411 1023419389 /nfs/dbraw/zinc/41/93/89/1023419389.db2.gz OFCKCWDJLKGVEV-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1ccoc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000092452411 1023419395 /nfs/dbraw/zinc/41/93/95/1023419395.db2.gz OFCKCWDJLKGVEV-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458121883 1023591630 /nfs/dbraw/zinc/59/16/30/1023591630.db2.gz IBQSXIJOUXUNGC-QUCCMNQESA-N 1 2 349.478 3.980 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)C(C)C ZINC000594042796 1033147844 /nfs/dbraw/zinc/14/78/44/1033147844.db2.gz GLEWFTACWVUABV-OAHLLOKOSA-N 1 2 337.464 3.573 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3)C1)O[C@@H](C)C2 ZINC000535782045 1023630050 /nfs/dbraw/zinc/63/00/50/1023630050.db2.gz DVKVCXAUEJDTSZ-BTYIYWSLSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3)C1)O[C@@H](C)C2 ZINC000535782045 1023630054 /nfs/dbraw/zinc/63/00/54/1023630054.db2.gz DVKVCXAUEJDTSZ-BTYIYWSLSA-N 1 2 339.435 3.592 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nc(C)ncc3C2)cc(C)c1OC(F)F ZINC000535789529 1023636038 /nfs/dbraw/zinc/63/60/38/1023636038.db2.gz PCDFVGXPUGLANI-UHFFFAOYSA-N 1 2 333.382 3.562 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nc(C)ncc3C2)cc(C)c1OC(F)F ZINC000535789529 1023636043 /nfs/dbraw/zinc/63/60/43/1023636043.db2.gz PCDFVGXPUGLANI-UHFFFAOYSA-N 1 2 333.382 3.562 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(OC(C)(C)C)c1 ZINC000934049159 1023688902 /nfs/dbraw/zinc/68/89/02/1023688902.db2.gz ZFSPOQOAUWESRN-UHFFFAOYSA-N 1 2 330.432 3.614 20 0 EHADLO CSCc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1F ZINC000471979789 1023737620 /nfs/dbraw/zinc/73/76/20/1023737620.db2.gz PAKCFQNUTTZGAQ-UHFFFAOYSA-N 1 2 329.400 3.897 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000342018515 1023760239 /nfs/dbraw/zinc/76/02/39/1023760239.db2.gz YGGVSSJBFQPAOW-GFCCVEGCSA-N 1 2 347.344 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(SC)ccc2C)c1C ZINC000065164292 1023790700 /nfs/dbraw/zinc/79/07/00/1023790700.db2.gz ZLTZTNVJFVOLIW-UHFFFAOYSA-N 1 2 330.453 3.667 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2ccc(F)cc2F)c1 ZINC000342061858 1023813455 /nfs/dbraw/zinc/81/34/55/1023813455.db2.gz ZFHCZXPLYGNBRY-CYBMUJFWSA-N 1 2 341.361 3.950 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCc3sccc3[C@H]2CC)s1 ZINC000602764797 1033164052 /nfs/dbraw/zinc/16/40/52/1033164052.db2.gz XZCYECTULQBVBP-CYBMUJFWSA-N 1 2 336.482 3.891 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCc3sccc3[C@H]2CC)s1 ZINC000602764797 1033164062 /nfs/dbraw/zinc/16/40/62/1033164062.db2.gz XZCYECTULQBVBP-CYBMUJFWSA-N 1 2 336.482 3.891 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000602795548 1033169819 /nfs/dbraw/zinc/16/98/19/1033169819.db2.gz BGYKUFGKEGAURX-OAHLLOKOSA-N 1 2 340.423 3.928 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000602795548 1033169824 /nfs/dbraw/zinc/16/98/24/1033169824.db2.gz BGYKUFGKEGAURX-OAHLLOKOSA-N 1 2 340.423 3.928 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000150726472 1023929047 /nfs/dbraw/zinc/92/90/47/1023929047.db2.gz AICTUCGBVUKMET-OAHLLOKOSA-N 1 2 347.484 3.879 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000150726472 1023929057 /nfs/dbraw/zinc/92/90/57/1023929057.db2.gz AICTUCGBVUKMET-OAHLLOKOSA-N 1 2 347.484 3.879 20 0 EHADLO CC1=C(C)C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000684629599 1023930072 /nfs/dbraw/zinc/93/00/72/1023930072.db2.gz XBMMCXMLCWUHRO-UHFFFAOYSA-N 1 2 337.345 3.896 20 0 EHADLO CC1=C(C)C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000684629599 1023930080 /nfs/dbraw/zinc/93/00/80/1023930080.db2.gz XBMMCXMLCWUHRO-UHFFFAOYSA-N 1 2 337.345 3.896 20 0 EHADLO CC[C@@H](C)Oc1cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)nc(C)n1 ZINC000895197477 1023957040 /nfs/dbraw/zinc/95/70/40/1023957040.db2.gz SNOQLQPYJAMGCU-ABAIWWIYSA-N 1 2 329.448 3.644 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000639279469 1023965694 /nfs/dbraw/zinc/96/56/94/1023965694.db2.gz FIQCGHRGVQRCRM-HZPDHXFCSA-N 1 2 338.785 3.981 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000639279469 1023965705 /nfs/dbraw/zinc/96/57/05/1023965705.db2.gz FIQCGHRGVQRCRM-HZPDHXFCSA-N 1 2 338.785 3.981 20 0 EHADLO CCC[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCC1 ZINC000458348001 1023975097 /nfs/dbraw/zinc/97/50/97/1023975097.db2.gz YJDOSFPGGXKTKA-OAHLLOKOSA-N 1 2 335.398 3.708 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)[nH]1 ZINC000429672232 1023976510 /nfs/dbraw/zinc/97/65/10/1023976510.db2.gz CXHWOOKPGDNYDO-VIFPVBQESA-N 1 2 341.228 3.681 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434401182 1024016719 /nfs/dbraw/zinc/01/67/19/1024016719.db2.gz XXKUKWYWJLOTCG-TXPKVOOTSA-N 1 2 345.487 3.849 20 0 EHADLO Cc1ccnc([C@@H](C)[NH2+]Cc2nc3c(cccc3Br)[nH]2)c1 ZINC000449768554 1033184522 /nfs/dbraw/zinc/18/45/22/1033184522.db2.gz FYZQUTPZKMAETF-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO CCN(CC(C)(C)O)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443511585 1024059610 /nfs/dbraw/zinc/05/96/10/1024059610.db2.gz REAQVKVBFTVDTA-UHFFFAOYSA-N 1 2 341.224 3.734 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000151201809 1024059379 /nfs/dbraw/zinc/05/93/79/1024059379.db2.gz VOICYSJNCMNSIO-HWWQOWPSSA-N 1 2 327.494 3.519 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1 ZINC000151201809 1024059400 /nfs/dbraw/zinc/05/94/00/1024059400.db2.gz VOICYSJNCMNSIO-HWWQOWPSSA-N 1 2 327.494 3.519 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586297 1024077635 /nfs/dbraw/zinc/07/76/35/1024077635.db2.gz WBNGKVBCDWTZCO-SJORKVTESA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586297 1024077652 /nfs/dbraw/zinc/07/76/52/1024077652.db2.gz WBNGKVBCDWTZCO-SJORKVTESA-N 1 2 334.435 3.718 20 0 EHADLO COc1ccc(OC2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cc1 ZINC000522566322 1024077831 /nfs/dbraw/zinc/07/78/31/1024077831.db2.gz DNENICXKIUAQDT-UHFFFAOYSA-N 1 2 339.439 3.719 20 0 EHADLO Cc1cc(F)cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001143592828 1024078198 /nfs/dbraw/zinc/07/81/98/1024078198.db2.gz VVOOOSKZLNDBQT-KRWDZBQOSA-N 1 2 326.406 3.830 20 0 EHADLO C[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000443520388 1024089694 /nfs/dbraw/zinc/08/96/94/1024089694.db2.gz RKCBXVQMMBUGKA-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000514091845 1024125339 /nfs/dbraw/zinc/12/53/39/1024125339.db2.gz YRMSYFHCDLORBH-ZWKOTPCHSA-N 1 2 347.842 3.874 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000514091845 1024125346 /nfs/dbraw/zinc/12/53/46/1024125346.db2.gz YRMSYFHCDLORBH-ZWKOTPCHSA-N 1 2 347.842 3.874 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1nc(C(C)(C)C)no1 ZINC000191571451 1024128243 /nfs/dbraw/zinc/12/82/43/1024128243.db2.gz ROMSYSPNPPBGMC-RDJZCZTQSA-N 1 2 342.487 3.682 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000514124425 1024154035 /nfs/dbraw/zinc/15/40/35/1024154035.db2.gz ILPDRVGIKCQUSU-MRXNPFEDSA-N 1 2 326.440 3.569 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000514124425 1024154040 /nfs/dbraw/zinc/15/40/40/1024154040.db2.gz ILPDRVGIKCQUSU-MRXNPFEDSA-N 1 2 326.440 3.569 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccnn2C(C)C)c2ccco2)cc1 ZINC000449773458 1033191730 /nfs/dbraw/zinc/19/17/30/1033191730.db2.gz JVNGAOCKSFWBRP-LJQANCHMSA-N 1 2 325.412 3.945 20 0 EHADLO CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H](CC)C(=O)OCC ZINC000342134758 1024204976 /nfs/dbraw/zinc/20/49/76/1024204976.db2.gz RWNMBQJVRPVIIY-CQSZACIVSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@H](CC)C(=O)OCC ZINC000342134758 1024204981 /nfs/dbraw/zinc/20/49/81/1024204981.db2.gz RWNMBQJVRPVIIY-CQSZACIVSA-N 1 2 332.366 3.654 20 0 EHADLO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000548518521 1024210443 /nfs/dbraw/zinc/21/04/43/1024210443.db2.gz YCJWOHIGCCQRFL-LPHOPBHVSA-N 1 2 348.450 3.662 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@@H](C)C2CCCCC2)CC[NH2+]1 ZINC000505453057 1024237663 /nfs/dbraw/zinc/23/76/63/1024237663.db2.gz IDDUKJYBTRUAKG-VQIMIIECSA-N 1 2 344.499 3.775 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003685 1024282824 /nfs/dbraw/zinc/28/28/24/1024282824.db2.gz ZXDSJXGMEKVUOJ-ZWKOTPCHSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003685 1024282840 /nfs/dbraw/zinc/28/28/40/1024282840.db2.gz ZXDSJXGMEKVUOJ-ZWKOTPCHSA-N 1 2 340.471 3.550 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425148552 1024311725 /nfs/dbraw/zinc/31/17/25/1024311725.db2.gz UIUXIDSYPIVUNB-NXHRZFHOSA-N 1 2 325.456 3.969 20 0 EHADLO Cc1cc(CNc2ccc([S@@](C)=O)c(F)c2)c2c([nH+]1)CCCC2 ZINC000892390567 1033213078 /nfs/dbraw/zinc/21/30/78/1033213078.db2.gz ZLRZYEGMSPOJOE-HSZRJFAPSA-N 1 2 332.444 3.757 20 0 EHADLO Fc1ccc2sc(NCc3ccc(-n4cc[nH+]c4)cc3)nc2c1F ZINC000346124319 1024425531 /nfs/dbraw/zinc/42/55/31/1024425531.db2.gz WHPGXGHRVMXTBX-UHFFFAOYSA-N 1 2 342.374 3.794 20 0 EHADLO CSCc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000346132291 1024434180 /nfs/dbraw/zinc/43/41/80/1024434180.db2.gz KZGMWPQEQGJFBO-UHFFFAOYSA-N 1 2 349.419 3.847 20 0 EHADLO CCc1cnc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000346138117 1024438439 /nfs/dbraw/zinc/43/84/39/1024438439.db2.gz RSYXHDWSCOMFHB-TWGQIWQCSA-N 1 2 327.497 3.537 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664451609 1024459178 /nfs/dbraw/zinc/45/91/78/1024459178.db2.gz YACXXTVQDCOBBL-SFHVURJKSA-N 1 2 348.450 3.998 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664451608 1024460252 /nfs/dbraw/zinc/46/02/52/1024460252.db2.gz YACXXTVQDCOBBL-GOSISDBHSA-N 1 2 348.450 3.998 20 0 EHADLO CCc1cnccc1[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228994 1024466212 /nfs/dbraw/zinc/46/62/12/1024466212.db2.gz KTBZATWIPIYSDT-KXBFYZLASA-N 1 2 348.450 3.767 20 0 EHADLO CS[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C ZINC000425229230 1024466338 /nfs/dbraw/zinc/46/63/38/1024466338.db2.gz BHCYHAJDYJWJFP-CVEARBPZSA-N 1 2 345.512 3.826 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000505552483 1024469730 /nfs/dbraw/zinc/46/97/30/1024469730.db2.gz AAMJFXWSTCCTPU-UHFFFAOYSA-N 1 2 331.366 3.807 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000505552483 1024469737 /nfs/dbraw/zinc/46/97/37/1024469737.db2.gz AAMJFXWSTCCTPU-UHFFFAOYSA-N 1 2 331.366 3.807 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)o1 ZINC000895449575 1024515126 /nfs/dbraw/zinc/51/51/26/1024515126.db2.gz RSBKZUOKGOZNLF-ZDUSSCGKSA-N 1 2 330.211 3.808 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000346222109 1024534188 /nfs/dbraw/zinc/53/41/88/1024534188.db2.gz OWMHXGGSUYAHFY-IBGZPJMESA-N 1 2 339.826 3.902 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@H]1F ZINC001143428761 1024557615 /nfs/dbraw/zinc/55/76/15/1024557615.db2.gz NDIPPVSYNFGTCZ-NWDGAFQWSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@@H]1F ZINC001143428761 1024557620 /nfs/dbraw/zinc/55/76/20/1024557620.db2.gz NDIPPVSYNFGTCZ-NWDGAFQWSA-N 1 2 341.732 3.533 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CCC2(CC2)CC1 ZINC000579605898 1024567454 /nfs/dbraw/zinc/56/74/54/1024567454.db2.gz BUUJBSQEIFPLGV-UHFFFAOYSA-N 1 2 342.418 3.533 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000729543251 1024568578 /nfs/dbraw/zinc/56/85/78/1024568578.db2.gz JGHXXCOIFXWNNA-UHFFFAOYSA-N 1 2 341.492 3.785 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000729543251 1024568584 /nfs/dbraw/zinc/56/85/84/1024568584.db2.gz JGHXXCOIFXWNNA-UHFFFAOYSA-N 1 2 341.492 3.785 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC12CCC(CC1)CC2 ZINC000514585016 1024582014 /nfs/dbraw/zinc/58/20/14/1024582014.db2.gz LWMMZMGFRJYYDD-UHFFFAOYSA-N 1 2 342.487 3.594 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccoc1C1CC1 ZINC000282554403 1024589433 /nfs/dbraw/zinc/58/94/33/1024589433.db2.gz JVOLVBHMPWSBIA-UHFFFAOYSA-N 1 2 340.423 3.550 20 0 EHADLO C[C@@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1c[nH]c2ccccc21 ZINC000346282820 1024601808 /nfs/dbraw/zinc/60/18/08/1024601808.db2.gz RUNIAIZOADHTIM-AWEZNQCLSA-N 1 2 332.407 3.626 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000474238640 1024615870 /nfs/dbraw/zinc/61/58/70/1024615870.db2.gz MDSFBMUYSZAFQR-RBUKOAKNSA-N 1 2 348.450 3.860 20 0 EHADLO CCc1ccccc1OCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000505611505 1024641676 /nfs/dbraw/zinc/64/16/76/1024641676.db2.gz LKXSOAKFTSJQGN-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614668819 1024641986 /nfs/dbraw/zinc/64/19/86/1024641986.db2.gz IDJRXMKURLBLGI-INIZCTEOSA-N 1 2 337.533 3.680 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000428292110 1024645100 /nfs/dbraw/zinc/64/51/00/1024645100.db2.gz AAASSRWMXVUMRJ-CZUORRHYSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000428292110 1024645109 /nfs/dbraw/zinc/64/51/09/1024645109.db2.gz AAASSRWMXVUMRJ-CZUORRHYSA-N 1 2 336.382 3.693 20 0 EHADLO COc1cc(Nc2ccc(F)c(C(=O)N3CCCCC3)c2)cc(C)[nH+]1 ZINC001211874034 1024653479 /nfs/dbraw/zinc/65/34/79/1024653479.db2.gz UIMSRPKISWIQFB-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000548602656 1024656623 /nfs/dbraw/zinc/65/66/23/1024656623.db2.gz OKUUKBHHXPHAHJ-LBPRGKRZSA-N 1 2 333.461 3.539 20 0 EHADLO CC[C@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)C ZINC000614674153 1024673705 /nfs/dbraw/zinc/67/37/05/1024673705.db2.gz OMUATZSDWYJGEE-MRXNPFEDSA-N 1 2 337.533 3.680 20 0 EHADLO Brc1cccc(C2CC[NH+](Cc3csnn3)CC2)c1 ZINC000281129884 1024682469 /nfs/dbraw/zinc/68/24/69/1024682469.db2.gz CWALEZAZOGEFQC-UHFFFAOYSA-N 1 2 338.274 3.680 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)cc2s1 ZINC000343355651 1024693668 /nfs/dbraw/zinc/69/36/68/1024693668.db2.gz LIWHYCDJEKEACR-GFCCVEGCSA-N 1 2 349.525 3.796 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000505630541 1024705777 /nfs/dbraw/zinc/70/57/77/1024705777.db2.gz DQZLMDLXXOJCSC-SFHVURJKSA-N 1 2 334.467 3.927 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000505630541 1024705790 /nfs/dbraw/zinc/70/57/90/1024705790.db2.gz DQZLMDLXXOJCSC-SFHVURJKSA-N 1 2 334.467 3.927 20 0 EHADLO CC(C)c1nc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cs1 ZINC000186449000 1024706340 /nfs/dbraw/zinc/70/63/40/1024706340.db2.gz OQPXSDOTCDVSCJ-ZDUSSCGKSA-N 1 2 332.473 3.671 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1Oc1cccnc1 ZINC000514732126 1024707245 /nfs/dbraw/zinc/70/72/45/1024707245.db2.gz BXTPJYBHGXKQBZ-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4nc5cccnc5s4)n3)c2)c[nH+]1 ZINC000346398202 1024715953 /nfs/dbraw/zinc/71/59/53/1024715953.db2.gz ZBJPEVSGSKMZMP-UHFFFAOYSA-N 1 2 346.375 3.594 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000895691423 1024725679 /nfs/dbraw/zinc/72/56/79/1024725679.db2.gz OSODQKFYOWHBBB-UHFFFAOYSA-N 1 2 335.372 3.905 20 0 EHADLO Brc1ccc2oc(C[N@@H+]3CCc4ncncc4C3)cc2c1 ZINC000895723107 1024767916 /nfs/dbraw/zinc/76/79/16/1024767916.db2.gz ACDJXBUVBDHXQQ-UHFFFAOYSA-N 1 2 344.212 3.544 20 0 EHADLO Brc1ccc2oc(C[N@H+]3CCc4ncncc4C3)cc2c1 ZINC000895723107 1024767920 /nfs/dbraw/zinc/76/79/20/1024767920.db2.gz ACDJXBUVBDHXQQ-UHFFFAOYSA-N 1 2 344.212 3.544 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)s1 ZINC000607654572 1033237800 /nfs/dbraw/zinc/23/78/00/1033237800.db2.gz NDEPUHLQCZBMOL-JKSUJKDBSA-N 1 2 334.529 3.781 20 0 EHADLO COC[C@@H]1CCC[N@@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837687 1024782002 /nfs/dbraw/zinc/78/20/02/1024782002.db2.gz MKHPOJTVRPZFAH-JTQLQIEISA-N 1 2 336.632 3.852 20 0 EHADLO COC[C@@H]1CCC[N@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837687 1024782010 /nfs/dbraw/zinc/78/20/10/1024782010.db2.gz MKHPOJTVRPZFAH-JTQLQIEISA-N 1 2 336.632 3.852 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(F)cc1C ZINC000892114176 1024782658 /nfs/dbraw/zinc/78/26/58/1024782658.db2.gz MSWGEUVEVBQUGL-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(F)cc1C ZINC000892114176 1024782669 /nfs/dbraw/zinc/78/26/69/1024782669.db2.gz MSWGEUVEVBQUGL-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCc2cc(Br)ccc2C1 ZINC000425337051 1024784103 /nfs/dbraw/zinc/78/41/03/1024784103.db2.gz MJMKXGNUEXMCOF-UHFFFAOYSA-N 1 2 334.261 3.785 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1ncco1 ZINC000895766653 1024795085 /nfs/dbraw/zinc/79/50/85/1024795085.db2.gz WJQZOFFFWUNTPU-PRHODGIISA-N 1 2 325.181 3.914 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895787980 1024833023 /nfs/dbraw/zinc/83/30/23/1024833023.db2.gz ADXRZQURTCDWFO-UFBFGSQYSA-N 1 2 342.192 3.891 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895787980 1024833044 /nfs/dbraw/zinc/83/30/44/1024833044.db2.gz ADXRZQURTCDWFO-UFBFGSQYSA-N 1 2 342.192 3.891 20 0 EHADLO CCC[C@@H](C(=O)OCC)[N@H+](C)Cc1cc(Br)cs1 ZINC000096731106 1024861047 /nfs/dbraw/zinc/86/10/47/1024861047.db2.gz VYOFTNUMJBICOI-LBPRGKRZSA-N 1 2 334.279 3.674 20 0 EHADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)Cc1cc(Br)cs1 ZINC000096731106 1024861064 /nfs/dbraw/zinc/86/10/64/1024861064.db2.gz VYOFTNUMJBICOI-LBPRGKRZSA-N 1 2 334.279 3.674 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000895827655 1024862572 /nfs/dbraw/zinc/86/25/72/1024862572.db2.gz ODRKIXWRKZZEQW-UHFFFAOYSA-N 1 2 335.391 3.931 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccco1 ZINC000607633345 1033242315 /nfs/dbraw/zinc/24/23/15/1033242315.db2.gz NVFSVTJBGKYLAP-OLZOCXBDSA-N 1 2 333.457 3.710 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccco1 ZINC000607633345 1033242331 /nfs/dbraw/zinc/24/23/31/1033242331.db2.gz NVFSVTJBGKYLAP-OLZOCXBDSA-N 1 2 333.457 3.710 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CO[C@@H]3CCCc4ccccc43)cc2[nH+]1 ZINC000435404977 1024884995 /nfs/dbraw/zinc/88/49/95/1024884995.db2.gz ITBULVCOISPLJW-LJQANCHMSA-N 1 2 335.407 3.904 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000514943368 1024902804 /nfs/dbraw/zinc/90/28/04/1024902804.db2.gz BXPYLKAJMMXSJP-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)o1 ZINC000115611218 1024944987 /nfs/dbraw/zinc/94/49/87/1024944987.db2.gz AVWYUENEDMSEEG-LJQANCHMSA-N 1 2 338.382 3.710 20 0 EHADLO COC(=O)c1c(F)ccc(-c2ccc(-c3c[nH+]cn3C)cc2)c1F ZINC001204738747 1024956516 /nfs/dbraw/zinc/95/65/16/1024956516.db2.gz AFRYLXKYUMWNBP-UHFFFAOYSA-N 1 2 328.318 3.819 20 0 EHADLO COc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(Cl)cc1O ZINC000638110362 1024963446 /nfs/dbraw/zinc/96/34/46/1024963446.db2.gz FBCPGPJSNJUFPA-UHFFFAOYSA-N 1 2 343.814 3.530 20 0 EHADLO Cc1ccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)ccnc2n1 ZINC000435496803 1024966942 /nfs/dbraw/zinc/96/69/42/1024966942.db2.gz USNRAFWPUBDUDK-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653850 1024988588 /nfs/dbraw/zinc/98/85/88/1024988588.db2.gz QQWZICBOURGZTA-MOPGFXCFSA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1F ZINC000346653850 1024988598 /nfs/dbraw/zinc/98/85/98/1024988598.db2.gz QQWZICBOURGZTA-MOPGFXCFSA-N 1 2 344.405 3.807 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cs1 ZINC000344636711 1025001694 /nfs/dbraw/zinc/00/16/94/1025001694.db2.gz VPJJPNWDOGHNTP-UHFFFAOYSA-N 1 2 348.468 3.535 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408878 1025011302 /nfs/dbraw/zinc/01/13/02/1025011302.db2.gz NZEMXSKYCLBRKE-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408878 1025011309 /nfs/dbraw/zinc/01/13/09/1025011309.db2.gz NZEMXSKYCLBRKE-YPMHNXCESA-N 1 2 345.270 3.821 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000435659731 1025052311 /nfs/dbraw/zinc/05/23/11/1025052311.db2.gz NPUVIDXQGUZRAN-CYBMUJFWSA-N 1 2 327.453 3.842 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@@]1(C)Br ZINC000892156121 1025058512 /nfs/dbraw/zinc/05/85/12/1025058512.db2.gz DXYNVDHFVUDDBZ-GMSGAONNSA-N 1 2 343.212 3.767 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@@]1(C)Br ZINC000892156121 1025058524 /nfs/dbraw/zinc/05/85/24/1025058524.db2.gz DXYNVDHFVUDDBZ-GMSGAONNSA-N 1 2 343.212 3.767 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cccnc3C3CC3)ccc21 ZINC000515207230 1025092345 /nfs/dbraw/zinc/09/23/45/1025092345.db2.gz AMVDZUNSXMLUIH-UHFFFAOYSA-N 1 2 332.407 3.826 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OC2CCCC2)nnn1C1CCC1 ZINC000657318258 1025108203 /nfs/dbraw/zinc/10/82/03/1025108203.db2.gz HPDOGFAFZFXRTP-UHFFFAOYSA-N 1 2 326.444 3.614 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548657219 1025115077 /nfs/dbraw/zinc/11/50/77/1025115077.db2.gz FAACGTFOPGKEQW-DLBZAZTESA-N 1 2 346.519 3.882 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435770123 1025130260 /nfs/dbraw/zinc/13/02/60/1025130260.db2.gz YRUPIEDGVSNNKN-CALCHBBNSA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435770123 1025130266 /nfs/dbraw/zinc/13/02/66/1025130266.db2.gz YRUPIEDGVSNNKN-CALCHBBNSA-N 1 2 341.451 3.883 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661171 1025140086 /nfs/dbraw/zinc/14/00/86/1025140086.db2.gz DOQVVCAMICXFTK-VQIMIIECSA-N 1 2 340.471 3.545 20 0 EHADLO C[C@@H](CF)[NH2+]Cc1cc(Br)sc1Br ZINC000641753400 1033262512 /nfs/dbraw/zinc/26/25/12/1033262512.db2.gz BFMCROSPICFZKE-YFKPBYRVSA-N 1 2 331.048 3.721 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(SC(F)F)c2)c[nH+]1 ZINC000896129541 1025164747 /nfs/dbraw/zinc/16/47/47/1025164747.db2.gz YVCYHNJHKVEZRO-UHFFFAOYSA-N 1 2 325.384 3.880 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2)cs1 ZINC000665528398 1025173181 /nfs/dbraw/zinc/17/31/81/1025173181.db2.gz ZKXPBSZUSAJBKH-HUUCEWRRSA-N 1 2 338.436 3.594 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000515335782 1025176801 /nfs/dbraw/zinc/17/68/01/1025176801.db2.gz NEULLVULJNAEGC-OAHLLOKOSA-N 1 2 335.517 3.544 20 0 EHADLO CCSc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934268487 1025182526 /nfs/dbraw/zinc/18/25/26/1025182526.db2.gz CCYUVEVDRBLHRV-CQSZACIVSA-N 1 2 345.468 3.640 20 0 EHADLO CCSc1ccccc1C[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934268487 1025182536 /nfs/dbraw/zinc/18/25/36/1025182536.db2.gz CCYUVEVDRBLHRV-CQSZACIVSA-N 1 2 345.468 3.640 20 0 EHADLO C[C@@H](c1noc(C2([NH+](C)C)CC2)n1)c1ccc(Br)cc1 ZINC000896146705 1025184545 /nfs/dbraw/zinc/18/45/45/1025184545.db2.gz DXNPJYPJGNCZSM-SNVBAGLBSA-N 1 2 336.233 3.535 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000281565731 1025220436 /nfs/dbraw/zinc/22/04/36/1025220436.db2.gz KCEPQQAHNHKCCX-IFXJQAMLSA-N 1 2 331.435 3.874 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000281565731 1025220447 /nfs/dbraw/zinc/22/04/47/1025220447.db2.gz KCEPQQAHNHKCCX-IFXJQAMLSA-N 1 2 331.435 3.874 20 0 EHADLO Cc1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc[nH+]1 ZINC000346838956 1025229157 /nfs/dbraw/zinc/22/91/57/1025229157.db2.gz HCSUPXCZACHUJV-UHFFFAOYSA-N 1 2 331.297 3.631 20 0 EHADLO Brc1ccoc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896194864 1025241871 /nfs/dbraw/zinc/24/18/71/1025241871.db2.gz HNVMOIQCGSOQCY-UHFFFAOYSA-N 1 2 336.233 3.514 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C(=O)OC(C)(C)C ZINC000521232480 1025286845 /nfs/dbraw/zinc/28/68/45/1025286845.db2.gz OIQHWUCUUASXFJ-DZGCQCFKSA-N 1 2 331.460 3.594 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCSC2(CCC2)C1 ZINC000896250739 1025293786 /nfs/dbraw/zinc/29/37/86/1025293786.db2.gz RZASJROLNSQYKG-LBPRGKRZSA-N 1 2 331.489 3.812 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000346920279 1025295296 /nfs/dbraw/zinc/29/52/96/1025295296.db2.gz QPUYTBFMEISYFB-ZWKOTPCHSA-N 1 2 349.519 3.525 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CO[C@H]1CCCC[C@H]1CC ZINC000346923667 1025299257 /nfs/dbraw/zinc/29/92/57/1025299257.db2.gz VKKNTPQGIVNTOW-MSOLQXFVSA-N 1 2 349.519 3.670 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccc(C)cc2)c1C ZINC000728471682 1025300748 /nfs/dbraw/zinc/30/07/48/1025300748.db2.gz UPDLENLPXPQREG-UHFFFAOYSA-N 1 2 326.440 3.609 20 0 EHADLO CC(C)CCOc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657341709 1025313520 /nfs/dbraw/zinc/31/35/20/1025313520.db2.gz IYWSDESEHWGJIR-UHFFFAOYSA-N 1 2 328.460 3.718 20 0 EHADLO Cc1nc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)sc1C ZINC000895159519 1025313524 /nfs/dbraw/zinc/31/35/24/1025313524.db2.gz DQHFDUREBQPXHX-MRXNPFEDSA-N 1 2 326.469 3.567 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311370 1025318712 /nfs/dbraw/zinc/31/87/12/1025318712.db2.gz BZMDAOGZWUTJKC-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311370 1025318722 /nfs/dbraw/zinc/31/87/22/1025318722.db2.gz BZMDAOGZWUTJKC-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc(F)cc2)no1)c1ccccc1 ZINC000285382719 1025335903 /nfs/dbraw/zinc/33/59/03/1025335903.db2.gz OUOKEGBYWGJXOK-GOSISDBHSA-N 1 2 325.387 3.841 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc(F)cc2)no1)c1ccccc1 ZINC000285382719 1025335911 /nfs/dbraw/zinc/33/59/11/1025335911.db2.gz OUOKEGBYWGJXOK-GOSISDBHSA-N 1 2 325.387 3.841 20 0 EHADLO COC[C@H]1CC[N@H+](Cc2c(Cl)ccc(Br)c2F)C1 ZINC001141887475 1025354303 /nfs/dbraw/zinc/35/43/03/1025354303.db2.gz IKPLVCUVXWHZOD-VIFPVBQESA-N 1 2 336.632 3.710 20 0 EHADLO COC[C@H]1CC[N@@H+](Cc2c(Cl)ccc(Br)c2F)C1 ZINC001141887475 1025354309 /nfs/dbraw/zinc/35/43/09/1025354309.db2.gz IKPLVCUVXWHZOD-VIFPVBQESA-N 1 2 336.632 3.710 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346965271 1025361059 /nfs/dbraw/zinc/36/10/59/1025361059.db2.gz IZRPRAUYDRGPNQ-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346965271 1025361070 /nfs/dbraw/zinc/36/10/70/1025361070.db2.gz IZRPRAUYDRGPNQ-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Br)c2)[C@H]1[C@H]1CCCO1 ZINC000515559330 1025366200 /nfs/dbraw/zinc/36/62/00/1025366200.db2.gz NJEFDJWUYMWVIA-CABCVRRESA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Br)c2)[C@H]1[C@H]1CCCO1 ZINC000515559330 1025366205 /nfs/dbraw/zinc/36/62/05/1025366205.db2.gz NJEFDJWUYMWVIA-CABCVRRESA-N 1 2 342.252 3.978 20 0 EHADLO CCc1noc([C@@H]2CC[C@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896345503 1025367470 /nfs/dbraw/zinc/36/74/70/1025367470.db2.gz RYTCHNHHGCGJJC-KGLIPLIRSA-N 1 2 327.432 3.746 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000342423597 1025367913 /nfs/dbraw/zinc/36/79/13/1025367913.db2.gz ZQGNIBMERJHYTA-UHFFFAOYSA-N 1 2 348.855 3.515 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000521422696 1025373055 /nfs/dbraw/zinc/37/30/55/1025373055.db2.gz KALFDKRFITUPGJ-UHFFFAOYSA-N 1 2 336.284 3.640 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000521422696 1025373067 /nfs/dbraw/zinc/37/30/67/1025373067.db2.gz KALFDKRFITUPGJ-UHFFFAOYSA-N 1 2 336.284 3.640 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CC[C@H](C)C3)cn2c1 ZINC000346974225 1025373320 /nfs/dbraw/zinc/37/33/20/1025373320.db2.gz IRNXWJIWXMAOFR-BBRMVZONSA-N 1 2 331.485 3.523 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000582131848 1025380112 /nfs/dbraw/zinc/38/01/12/1025380112.db2.gz UKSWQJDJUWKQOC-HNNXBMFYSA-N 1 2 325.456 3.952 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000582131848 1025380138 /nfs/dbraw/zinc/38/01/38/1025380138.db2.gz UKSWQJDJUWKQOC-HNNXBMFYSA-N 1 2 325.456 3.952 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCNc1ccccc1 ZINC000342430108 1025409866 /nfs/dbraw/zinc/40/98/66/1025409866.db2.gz IMBBQXKMFGWJPZ-IBGZPJMESA-N 1 2 348.450 3.550 20 0 EHADLO COC(=O)c1cccc(Br)c1Nc1ccn2cc[nH+]c2c1 ZINC001204982671 1025435140 /nfs/dbraw/zinc/43/51/40/1025435140.db2.gz DJHBHUVDWBURRQ-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347079589 1025502035 /nfs/dbraw/zinc/50/20/35/1025502035.db2.gz JBORDGMOTOAVFY-MGPUTAFESA-N 1 2 331.419 3.595 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)[nH]1 ZINC000277503922 1025502169 /nfs/dbraw/zinc/50/21/69/1025502169.db2.gz VRPRIZWSYHGCCJ-UKRRQHHQSA-N 1 2 338.459 3.663 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000521602681 1025503513 /nfs/dbraw/zinc/50/35/13/1025503513.db2.gz CERHESJVADICES-HKUYNNGSSA-N 1 2 341.430 3.973 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000515722176 1025517999 /nfs/dbraw/zinc/51/79/99/1025517999.db2.gz KESKJEHDMLDPLE-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000515722176 1025518011 /nfs/dbraw/zinc/51/80/11/1025518011.db2.gz KESKJEHDMLDPLE-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO CCC[N@H+](Cc1cncc(F)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000347130108 1025551506 /nfs/dbraw/zinc/55/15/06/1025551506.db2.gz NZFOBJUZHZLHRI-OAHLLOKOSA-N 1 2 329.419 3.768 20 0 EHADLO CCC[N@@H+](Cc1cncc(F)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000347130108 1025551518 /nfs/dbraw/zinc/55/15/18/1025551518.db2.gz NZFOBJUZHZLHRI-OAHLLOKOSA-N 1 2 329.419 3.768 20 0 EHADLO CCC[N@H+](Cc1cncc(F)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000347130103 1025551746 /nfs/dbraw/zinc/55/17/46/1025551746.db2.gz NZFOBJUZHZLHRI-HNNXBMFYSA-N 1 2 329.419 3.768 20 0 EHADLO CCC[N@@H+](Cc1cncc(F)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000347130103 1025551752 /nfs/dbraw/zinc/55/17/52/1025551752.db2.gz NZFOBJUZHZLHRI-HNNXBMFYSA-N 1 2 329.419 3.768 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccc(F)cc1F ZINC000582194374 1025561295 /nfs/dbraw/zinc/56/12/95/1025561295.db2.gz FLZLHROGHBMXMK-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccc(F)cc1F ZINC000582194374 1025561311 /nfs/dbraw/zinc/56/13/11/1025561311.db2.gz FLZLHROGHBMXMK-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2cccc3ccccc32)CC(C)(C)O1 ZINC000442886163 1025564389 /nfs/dbraw/zinc/56/43/89/1025564389.db2.gz NPBSVRJHPOQRQH-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(F)F)cc1 ZINC000342450355 1025566890 /nfs/dbraw/zinc/56/68/90/1025566890.db2.gz PZMCPTQUYHXABH-UHFFFAOYSA-N 1 2 349.362 3.611 20 0 EHADLO CC(C)[C@H]1C[C@@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000515767840 1025575169 /nfs/dbraw/zinc/57/51/69/1025575169.db2.gz LQFGFRGDUQNVRU-RTBURBONSA-N 1 2 340.471 3.847 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000442892768 1025575098 /nfs/dbraw/zinc/57/50/98/1025575098.db2.gz OIGJNLRQRROMLA-HXUWFJFHSA-N 1 2 344.430 3.801 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CCO1 ZINC000442892768 1025575112 /nfs/dbraw/zinc/57/51/12/1025575112.db2.gz OIGJNLRQRROMLA-HXUWFJFHSA-N 1 2 344.430 3.801 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)NCc2ccc(C3CCCCC3)cc2)c1 ZINC000515790562 1025604034 /nfs/dbraw/zinc/60/40/34/1025604034.db2.gz RRCNTXFFNYFAMZ-UHFFFAOYSA-N 1 2 340.471 3.510 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1C(=O)OC(C)(C)C ZINC000121790118 1025610028 /nfs/dbraw/zinc/61/00/28/1025610028.db2.gz WLIQCUGKLGZVBX-UHFFFAOYSA-N 1 2 343.427 3.566 20 0 EHADLO CCN(CCOC)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000521704457 1025610824 /nfs/dbraw/zinc/61/08/24/1025610824.db2.gz OQTAXKZCIMOGOZ-UHFFFAOYSA-N 1 2 327.197 3.609 20 0 EHADLO Cc1c(Cl)c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)nn1C ZINC000648054091 1025616666 /nfs/dbraw/zinc/61/66/66/1025616666.db2.gz QWTYJSHEVAIXJQ-SFHVURJKSA-N 1 2 347.890 3.545 20 0 EHADLO Cc1c(Cl)c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)nn1C ZINC000648054091 1025616674 /nfs/dbraw/zinc/61/66/74/1025616674.db2.gz QWTYJSHEVAIXJQ-SFHVURJKSA-N 1 2 347.890 3.545 20 0 EHADLO Cc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(Cl)c1C ZINC000347185984 1025632180 /nfs/dbraw/zinc/63/21/80/1025632180.db2.gz ZFCPHEKEMLRDHC-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cncc(F)c2)sc1Br ZINC000451180671 1025638802 /nfs/dbraw/zinc/63/88/02/1025638802.db2.gz DCNZOFODUKDXKM-ZETCQYMHSA-N 1 2 330.226 3.599 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000443022109 1025653791 /nfs/dbraw/zinc/65/37/91/1025653791.db2.gz OYCRZBDULPZHIU-SFHVURJKSA-N 1 2 340.471 3.699 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3nc(C4CC4)cs3)c12 ZINC000119706051 1025659918 /nfs/dbraw/zinc/65/99/18/1025659918.db2.gz WKQSSTHYTKCQRO-UHFFFAOYSA-N 1 2 348.435 3.762 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1OC(F)(F)F ZINC001143443388 1025665600 /nfs/dbraw/zinc/66/56/00/1025665600.db2.gz PPYNXTZYTJOGGN-CQSZACIVSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1OC(F)(F)F ZINC001143443388 1025665605 /nfs/dbraw/zinc/66/56/05/1025665605.db2.gz PPYNXTZYTJOGGN-CQSZACIVSA-N 1 2 341.308 3.851 20 0 EHADLO Cc1cc(C)c(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c(C)c1 ZINC000436406127 1025667635 /nfs/dbraw/zinc/66/76/35/1025667635.db2.gz CQGXQRDVPCSMGR-UHFFFAOYSA-N 1 2 338.430 3.681 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000303764534 1025687695 /nfs/dbraw/zinc/68/76/95/1025687695.db2.gz LQTWKKBQMJBFGM-HNNXBMFYSA-N 1 2 328.460 3.886 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521819333 1025705435 /nfs/dbraw/zinc/70/54/35/1025705435.db2.gz ZBBMNZOKMHCFMP-KRWDZBQOSA-N 1 2 342.458 3.989 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521819333 1025705450 /nfs/dbraw/zinc/70/54/50/1025705450.db2.gz ZBBMNZOKMHCFMP-KRWDZBQOSA-N 1 2 342.458 3.989 20 0 EHADLO CC(C)CCSCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081316892 1025741816 /nfs/dbraw/zinc/74/18/16/1025741816.db2.gz XONPYGGRRYAGRO-QGZVFWFLSA-N 1 2 345.512 3.599 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000081317320 1025760015 /nfs/dbraw/zinc/76/00/15/1025760015.db2.gz RILARYXUEYKYRP-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000347256518 1025764533 /nfs/dbraw/zinc/76/45/33/1025764533.db2.gz KVPLLPITZSORPY-KRWDZBQOSA-N 1 2 330.432 3.546 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000347256518 1025764546 /nfs/dbraw/zinc/76/45/46/1025764546.db2.gz KVPLLPITZSORPY-KRWDZBQOSA-N 1 2 330.432 3.546 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000521896557 1025768740 /nfs/dbraw/zinc/76/87/40/1025768740.db2.gz QFNYUDSETZVJID-DUVNUKRYSA-N 1 2 333.476 3.673 20 0 EHADLO Cc1csc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)n1 ZINC000342478943 1025774336 /nfs/dbraw/zinc/77/43/36/1025774336.db2.gz KRLSQPFZKLNCMX-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/85/93/22/1025859322.db2.gz UTVMTLNUJMKYPQ-UHFFFAOYSA-N 1 2 346.478 3.855 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC000530470906 1025878749 /nfs/dbraw/zinc/87/87/49/1025878749.db2.gz LZLJROIEYOUXEX-JYJNAYRXSA-N 1 2 341.455 3.877 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)[nH+]c1C ZINC000896906343 1025880130 /nfs/dbraw/zinc/88/01/30/1025880130.db2.gz ANNOXTFFIYLMAF-UHFFFAOYSA-N 1 2 347.724 3.509 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(C)on2)cc1Br ZINC000044296678 1025900045 /nfs/dbraw/zinc/90/00/45/1025900045.db2.gz FWKHFGHGLVCYTK-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO Cc1nn(-c2ccccc2)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000121836645 1025907743 /nfs/dbraw/zinc/90/77/43/1025907743.db2.gz JTKBCQSZLYUENH-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443342614 1025934591 /nfs/dbraw/zinc/93/45/91/1025934591.db2.gz FFMNQAJTBSSMJN-INIZCTEOSA-N 1 2 340.471 3.752 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443342614 1025934596 /nfs/dbraw/zinc/93/45/96/1025934596.db2.gz FFMNQAJTBSSMJN-INIZCTEOSA-N 1 2 340.471 3.752 20 0 EHADLO C/C(=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000896915349 1025980566 /nfs/dbraw/zinc/98/05/66/1025980566.db2.gz JWYHKUGTXVWIAA-YFHOEESVSA-N 1 2 337.345 3.765 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000304077645 1025988214 /nfs/dbraw/zinc/98/82/14/1025988214.db2.gz XPQYJNKOYRAQQC-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000304077645 1025988224 /nfs/dbraw/zinc/98/82/24/1025988224.db2.gz XPQYJNKOYRAQQC-MRXNPFEDSA-N 1 2 344.436 3.577 20 0 EHADLO Cc1ncncc1[C@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000516089206 1025988360 /nfs/dbraw/zinc/98/83/60/1025988360.db2.gz VRTNQTLYZZEQPS-QMMMGPOBSA-N 1 2 342.187 3.677 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000522135755 1026010269 /nfs/dbraw/zinc/01/02/69/1026010269.db2.gz BJQDUPGIZTVOGI-GOSISDBHSA-N 1 2 333.435 3.757 20 0 EHADLO C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000738414247 1026011873 /nfs/dbraw/zinc/01/18/73/1026011873.db2.gz FTNTVICXTKIMBY-GFCCVEGCSA-N 1 2 331.378 3.958 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)[nH+]c1C ZINC000896919269 1026017156 /nfs/dbraw/zinc/01/71/56/1026017156.db2.gz LSTHHUPHHSKPGP-ZDUSSCGKSA-N 1 2 328.460 3.721 20 0 EHADLO C/C(=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000896921185 1026039928 /nfs/dbraw/zinc/03/99/28/1026039928.db2.gz IJKVUBKRHUWSBK-NTMALXAHSA-N 1 2 337.345 3.765 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000516149773 1026058347 /nfs/dbraw/zinc/05/83/47/1026058347.db2.gz DRFGVQAQRPOSPN-OAHLLOKOSA-N 1 2 339.439 3.677 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327720 1026062525 /nfs/dbraw/zinc/06/25/25/1026062525.db2.gz ICNHCDOSDNBOBY-LSDHHAIUSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327720 1026062540 /nfs/dbraw/zinc/06/25/40/1026062540.db2.gz ICNHCDOSDNBOBY-LSDHHAIUSA-N 1 2 344.430 3.532 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143589852 1026084200 /nfs/dbraw/zinc/08/42/00/1026084200.db2.gz HRFKHUPZMNKCSR-UHFFFAOYSA-N 1 2 333.428 3.931 20 0 EHADLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143589852 1026084214 /nfs/dbraw/zinc/08/42/14/1026084214.db2.gz HRFKHUPZMNKCSR-UHFFFAOYSA-N 1 2 333.428 3.931 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561681 1026084881 /nfs/dbraw/zinc/08/48/81/1026084881.db2.gz ILVZDEGPODLTNL-CZUORRHYSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561681 1026084898 /nfs/dbraw/zinc/08/48/98/1026084898.db2.gz ILVZDEGPODLTNL-CZUORRHYSA-N 1 2 338.879 3.722 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2cc(F)c(Br)cc2Cl)CC1 ZINC001141920390 1026109265 /nfs/dbraw/zinc/10/92/65/1026109265.db2.gz SAADBDAAWWKXSE-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2cc(F)c(Br)cc2Cl)CC1 ZINC001141920390 1026109271 /nfs/dbraw/zinc/10/92/71/1026109271.db2.gz SAADBDAAWWKXSE-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000475122324 1026196943 /nfs/dbraw/zinc/19/69/43/1026196943.db2.gz VFEXUNWZHDMUBS-WOJBJXKFSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000475122324 1026196947 /nfs/dbraw/zinc/19/69/47/1026196947.db2.gz VFEXUNWZHDMUBS-WOJBJXKFSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121244895 1026214508 /nfs/dbraw/zinc/21/45/08/1026214508.db2.gz UZZZOANKSCZWRR-UHFFFAOYSA-N 1 2 337.467 3.679 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1)NCc1cccnc1 ZINC000451740165 1026256047 /nfs/dbraw/zinc/25/60/47/1026256047.db2.gz ZIMWHQRDCLWADL-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1)NCc1cccnc1 ZINC000451740165 1026256055 /nfs/dbraw/zinc/25/60/55/1026256055.db2.gz ZIMWHQRDCLWADL-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1F ZINC000063755279 1026268554 /nfs/dbraw/zinc/26/85/54/1026268554.db2.gz WPLRCKUCHQYGJG-UHFFFAOYSA-N 1 2 346.421 3.883 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1F ZINC000063755279 1026268569 /nfs/dbraw/zinc/26/85/69/1026268569.db2.gz WPLRCKUCHQYGJG-UHFFFAOYSA-N 1 2 346.421 3.883 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1ccccc1)Cc1ccccc1F ZINC000063755357 1026272136 /nfs/dbraw/zinc/27/21/36/1026272136.db2.gz NUWSTEWWEGKUPC-UHFFFAOYSA-N 1 2 328.431 3.744 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1ccccc1)Cc1ccccc1F ZINC000063755357 1026272149 /nfs/dbraw/zinc/27/21/49/1026272149.db2.gz NUWSTEWWEGKUPC-UHFFFAOYSA-N 1 2 328.431 3.744 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1C ZINC000451765289 1026274363 /nfs/dbraw/zinc/27/43/63/1026274363.db2.gz ULJXFXXPGVMDGM-QHCPKHFHSA-N 1 2 335.513 3.547 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1C ZINC000451765289 1026274374 /nfs/dbraw/zinc/27/43/74/1026274374.db2.gz ULJXFXXPGVMDGM-QHCPKHFHSA-N 1 2 335.513 3.547 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000152525869 1026281306 /nfs/dbraw/zinc/28/13/06/1026281306.db2.gz LMSHRAGDBMTXBX-IDHHARJASA-N 1 2 327.428 3.678 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000152525869 1026281314 /nfs/dbraw/zinc/28/13/14/1026281314.db2.gz LMSHRAGDBMTXBX-IDHHARJASA-N 1 2 327.428 3.678 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCOc1ccccc1 ZINC000158315031 1026285634 /nfs/dbraw/zinc/28/56/34/1026285634.db2.gz AVJQEOZGBRTYOO-MRXNPFEDSA-N 1 2 337.423 3.732 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCOc1ccccc1 ZINC000158315031 1026285644 /nfs/dbraw/zinc/28/56/44/1026285644.db2.gz AVJQEOZGBRTYOO-MRXNPFEDSA-N 1 2 337.423 3.732 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000657433015 1026289548 /nfs/dbraw/zinc/28/95/48/1026289548.db2.gz MYLQCBISDHRUBP-SJCJKPOMSA-N 1 2 349.377 3.602 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848517 1026322287 /nfs/dbraw/zinc/32/22/87/1026322287.db2.gz ZQFFIMKFKOWBHI-HXUWFJFHSA-N 1 2 338.451 3.774 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848517 1026322298 /nfs/dbraw/zinc/32/22/98/1026322298.db2.gz ZQFFIMKFKOWBHI-HXUWFJFHSA-N 1 2 338.451 3.774 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN1c1ccccc1 ZINC000785129711 1026326293 /nfs/dbraw/zinc/32/62/93/1026326293.db2.gz BIDRATOHQZWLHY-HXUWFJFHSA-N 1 2 347.418 3.585 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc2c(c1)OCO2 ZINC000324811371 1026329755 /nfs/dbraw/zinc/32/97/55/1026329755.db2.gz CXJLXVWXQUIMLE-CQSZACIVSA-N 1 2 325.412 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)c(C)[nH+]1 ZINC000582469780 1026353058 /nfs/dbraw/zinc/35/30/58/1026353058.db2.gz IEIHDVLOLFVKHX-KRWDZBQOSA-N 1 2 349.438 3.835 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000530899313 1026384593 /nfs/dbraw/zinc/38/45/93/1026384593.db2.gz YWYOFNCQKAFJBI-DZGCQCFKSA-N 1 2 332.473 3.829 20 0 EHADLO CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000530899316 1026387490 /nfs/dbraw/zinc/38/74/90/1026387490.db2.gz YWYOFNCQKAFJBI-ZFWWWQNUSA-N 1 2 332.473 3.829 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(OC2CCCCC2)cc1)n1cc[nH+]c1 ZINC000582488746 1026408688 /nfs/dbraw/zinc/40/86/88/1026408688.db2.gz PJLGWGQMOPJFRY-INIZCTEOSA-N 1 2 341.455 3.862 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)cn1 ZINC000451973576 1026429867 /nfs/dbraw/zinc/42/98/67/1026429867.db2.gz HOQLLZNJJDLUMD-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)cn1 ZINC000451973576 1026429871 /nfs/dbraw/zinc/42/98/71/1026429871.db2.gz HOQLLZNJJDLUMD-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)C1(C)C ZINC000248195420 1026522143 /nfs/dbraw/zinc/52/21/43/1026522143.db2.gz OYWDGWSKZJOZPD-IRXDYDNUSA-N 1 2 332.513 3.631 20 0 EHADLO CCc1cc(Br)ccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582550151 1026546135 /nfs/dbraw/zinc/54/61/35/1026546135.db2.gz NXSIJFJADFYAJU-LLVKDONJSA-N 1 2 336.233 3.798 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800763 1026553680 /nfs/dbraw/zinc/55/36/80/1026553680.db2.gz RTPOARMITRMDKJ-ROUUACIJSA-N 1 2 327.449 3.691 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800763 1026553692 /nfs/dbraw/zinc/55/36/92/1026553692.db2.gz RTPOARMITRMDKJ-ROUUACIJSA-N 1 2 327.449 3.691 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)ccn12 ZINC000563392786 1026591432 /nfs/dbraw/zinc/59/14/32/1026591432.db2.gz PXOPXDPMFNBLKG-QAPCUYQASA-N 1 2 337.398 3.848 20 0 EHADLO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000665625417 1026611328 /nfs/dbraw/zinc/61/13/28/1026611328.db2.gz CIZLLUTVJLGRJV-MPGHIAIKSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1C(C)C ZINC000119917037 1026633185 /nfs/dbraw/zinc/63/31/85/1026633185.db2.gz BFVTWEPYHUKLED-QGZVFWFLSA-N 1 2 342.487 3.514 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000452300901 1026641720 /nfs/dbraw/zinc/64/17/20/1026641720.db2.gz BQFGMZUUXCWGCT-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000452300901 1026641728 /nfs/dbraw/zinc/64/17/28/1026641728.db2.gz BQFGMZUUXCWGCT-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO COc1ccc(SCCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452334413 1026665906 /nfs/dbraw/zinc/66/59/06/1026665906.db2.gz MPYJPQWYITYQMQ-UHFFFAOYSA-N 1 2 345.468 3.739 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(Cc2ccc(Cl)cc2)CC1 ZINC000452335445 1026667808 /nfs/dbraw/zinc/66/78/08/1026667808.db2.gz QFVZLZYFOSEXJK-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO CC(C)c1n[nH]cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000193496216 1026678616 /nfs/dbraw/zinc/67/86/16/1026678616.db2.gz HOOADLYOEUXMTM-UHFFFAOYSA-N 1 2 329.791 3.625 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC000531201513 1026684211 /nfs/dbraw/zinc/68/42/11/1026684211.db2.gz XOHKGUPZKOLMCY-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC000531201513 1026684217 /nfs/dbraw/zinc/68/42/17/1026684217.db2.gz XOHKGUPZKOLMCY-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO COc1cccc(N2CC[C@H](CNc3cc(C)[nH+]c(C(C)C)n3)C2)c1 ZINC000301165343 1026709354 /nfs/dbraw/zinc/70/93/54/1026709354.db2.gz ILBLELGFDBJCQJ-MRXNPFEDSA-N 1 2 340.471 3.855 20 0 EHADLO CC1CC[NH+](c2ccc(Nc3ncc(C(N)=O)cc3Cl)cc2)CC1 ZINC000301185693 1026714880 /nfs/dbraw/zinc/71/48/80/1026714880.db2.gz ULFWVKIFBLJQMZ-UHFFFAOYSA-N 1 2 344.846 3.814 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000073268040 1026724477 /nfs/dbraw/zinc/72/44/77/1026724477.db2.gz NFDMWKZSWHOQKJ-UHFFFAOYSA-N 1 2 328.375 3.737 20 0 EHADLO COc1ncc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1Cl ZINC000342694949 1026737016 /nfs/dbraw/zinc/73/70/16/1026737016.db2.gz GLHFHFMPBWHTMB-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)c2cc(F)ccc2O1 ZINC000657500039 1026778516 /nfs/dbraw/zinc/77/85/16/1026778516.db2.gz FOIMPACEPZLKSJ-INIZCTEOSA-N 1 2 330.407 3.534 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000665652904 1026784679 /nfs/dbraw/zinc/78/46/79/1026784679.db2.gz IQZKQPHIOVIBNA-AITUJVMLSA-N 1 2 337.467 3.534 20 0 EHADLO CC(C)C[C@]1(C)CCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000452518366 1026813433 /nfs/dbraw/zinc/81/34/33/1026813433.db2.gz ZQEYUGBUYXQAFA-HLIPFELVSA-N 1 2 329.488 3.581 20 0 EHADLO CCC(CC)c1cc(CNc2cc(N3CCCCC3)nc[nH+]2)on1 ZINC000301472685 1026817748 /nfs/dbraw/zinc/81/77/48/1026817748.db2.gz UOJYCMAJPYUWKO-UHFFFAOYSA-N 1 2 329.448 3.971 20 0 EHADLO CCC(CC)c1cc(CNc2cc(N3CCCCC3)[nH+]cn2)on1 ZINC000301472685 1026817757 /nfs/dbraw/zinc/81/77/57/1026817757.db2.gz UOJYCMAJPYUWKO-UHFFFAOYSA-N 1 2 329.448 3.971 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000301488224 1026824477 /nfs/dbraw/zinc/82/44/77/1026824477.db2.gz JDXJZSGMVXXSNW-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115603566 1026825478 /nfs/dbraw/zinc/82/54/78/1026825478.db2.gz VSVIHNHPDGSEKC-RYUDHWBXSA-N 1 2 345.809 3.867 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(C)c1OC ZINC000582632354 1026829525 /nfs/dbraw/zinc/82/95/25/1026829525.db2.gz DNYSLNSRZNFBAW-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(C)c1OC ZINC000582632354 1026829530 /nfs/dbraw/zinc/82/95/30/1026829530.db2.gz DNYSLNSRZNFBAW-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO C[NH+](C)[C@@H](CNc1c(F)c(F)nc(F)c1F)c1c(F)cccc1F ZINC000301597961 1026867383 /nfs/dbraw/zinc/86/73/83/1026867383.db2.gz HBEMQBPAARCUAL-VIFPVBQESA-N 1 2 349.278 3.631 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4cccnc43)c[nH+]2)C[C@@H](C)O1 ZINC000684962099 1026867872 /nfs/dbraw/zinc/86/78/72/1026867872.db2.gz RFFFYSBPPJBTEY-IIDMSEBBSA-N 1 2 338.455 3.580 20 0 EHADLO Cc1cc(N[C@H]2CCN(c3ncccc3Cl)C2)nc(C(C)C)[nH+]1 ZINC000301609802 1026873166 /nfs/dbraw/zinc/87/31/66/1026873166.db2.gz BPIKUKKBIXPGAO-ZDUSSCGKSA-N 1 2 331.851 3.648 20 0 EHADLO CCOc1cc2c(cc1OCC)CN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC000301684117 1026900432 /nfs/dbraw/zinc/90/04/32/1026900432.db2.gz KTAKVZKFXNEFPM-UHFFFAOYSA-N 1 2 341.455 3.762 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000123088050 1026950109 /nfs/dbraw/zinc/95/01/09/1026950109.db2.gz KNHMZFZXQNPENC-LKUPVBHCSA-N 1 2 337.467 3.587 20 0 EHADLO CCOCc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301844827 1026962030 /nfs/dbraw/zinc/96/20/30/1026962030.db2.gz SQFAMZQDHNHOCS-UHFFFAOYSA-N 1 2 339.443 3.730 20 0 EHADLO CC(C)[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666003269 1026962342 /nfs/dbraw/zinc/96/23/42/1026962342.db2.gz BJPXRNAGKBAGBD-DNVCBOLYSA-N 1 2 345.487 3.636 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666003268 1026962912 /nfs/dbraw/zinc/96/29/12/1026962912.db2.gz BJPXRNAGKBAGBD-BEFAXECRSA-N 1 2 345.487 3.636 20 0 EHADLO O=C(CCSc1cccc(Cl)c1)Nc1c[nH+]c2n1CCCC2 ZINC000452749770 1026972608 /nfs/dbraw/zinc/97/26/08/1026972608.db2.gz DCZHUXDSQYGUSS-UHFFFAOYSA-N 1 2 335.860 3.994 20 0 EHADLO CCCc1ccc(C(=O)CCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452749118 1026972648 /nfs/dbraw/zinc/97/26/48/1026972648.db2.gz BPMHNHHYPBCPBT-UHFFFAOYSA-N 1 2 339.439 3.774 20 0 EHADLO CO[C@H](CNc1nc(N)c2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000301877515 1026974863 /nfs/dbraw/zinc/97/48/63/1026974863.db2.gz HERCACBTASRFMI-OAHLLOKOSA-N 1 2 328.803 3.665 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000548752810 1026975484 /nfs/dbraw/zinc/97/54/84/1026975484.db2.gz PUQNNDUTZRXKCR-NFAWXSAZSA-N 1 2 343.452 3.502 20 0 EHADLO CN(c1[nH+]cnc2c1cnn2C(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000301883686 1026978923 /nfs/dbraw/zinc/97/89/23/1026978923.db2.gz LFEWVWNZHZKTOL-INIZCTEOSA-N 1 2 335.455 3.575 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2ccc(Br)s2)n1C ZINC000342767805 1026990584 /nfs/dbraw/zinc/99/05/84/1026990584.db2.gz FPVHOMXJTHXHPK-LLVKDONJSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c2c([nH+]1)CCCC2 ZINC000302035145 1027029937 /nfs/dbraw/zinc/02/99/37/1027029937.db2.gz FEMXFTHQQAVJQP-GOSISDBHSA-N 1 2 343.858 3.895 20 0 EHADLO Cc1nc(NC[C@@H](C[C@H](C)O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302056980 1027037506 /nfs/dbraw/zinc/03/75/06/1027037506.db2.gz AKYKDXYSYXPMAZ-WMLDXEAASA-N 1 2 325.456 3.630 20 0 EHADLO Cc1nc(NCc2nc3ccccc3n2C2CC2)c2c([nH+]1)CCCC2 ZINC000302139322 1027066782 /nfs/dbraw/zinc/06/67/82/1027066782.db2.gz CYUYEZDGZDRHAU-UHFFFAOYSA-N 1 2 333.439 3.961 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302192031 1027083858 /nfs/dbraw/zinc/08/38/58/1027083858.db2.gz VXYKVTYZGQLAFI-CZUORRHYSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302192031 1027083868 /nfs/dbraw/zinc/08/38/68/1027083868.db2.gz VXYKVTYZGQLAFI-CZUORRHYSA-N 1 2 346.862 3.654 20 0 EHADLO CN(Cc1ccc(N)[nH+]c1)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC000302212315 1027090645 /nfs/dbraw/zinc/09/06/45/1027090645.db2.gz DSZSVFKHXQDYJY-UHFFFAOYSA-N 1 2 327.476 3.685 20 0 EHADLO Cc1cc(N2CCC[C@H](c3noc(C4CC4)n3)C2)nc(C(C)C)[nH+]1 ZINC000531599552 1027092611 /nfs/dbraw/zinc/09/26/11/1027092611.db2.gz SWASDKFPMLJZKE-AWEZNQCLSA-N 1 2 327.432 3.553 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557311 1027170561 /nfs/dbraw/zinc/17/05/61/1027170561.db2.gz UIMDZMSURJSEOX-CQSZACIVSA-N 1 2 349.887 3.703 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ncc(C4CC4)o3)C2)n1 ZINC000272904920 1027172030 /nfs/dbraw/zinc/17/20/30/1027172030.db2.gz GTVDDXYISOJFPN-GFCCVEGCSA-N 1 2 340.349 3.604 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ncc(C4CC4)o3)C2)n1 ZINC000272904920 1027172043 /nfs/dbraw/zinc/17/20/43/1027172043.db2.gz GTVDDXYISOJFPN-GFCCVEGCSA-N 1 2 340.349 3.604 20 0 EHADLO FC(F)(F)CN1CCC(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000302521232 1027177885 /nfs/dbraw/zinc/17/78/85/1027177885.db2.gz IQTSIAFCGUVMCX-UHFFFAOYSA-N 1 2 341.299 3.787 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000302534645 1027184707 /nfs/dbraw/zinc/18/47/07/1027184707.db2.gz RCJSBCKACGTPQU-ZDUSSCGKSA-N 1 2 348.491 3.858 20 0 EHADLO Cc1nc(N[C@@H](C)c2ccc([S@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272936443 1027185220 /nfs/dbraw/zinc/18/52/20/1027185220.db2.gz WHQODLJGMVXWFC-MYODQAERSA-N 1 2 329.469 3.574 20 0 EHADLO Cc1cc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000302569481 1027198931 /nfs/dbraw/zinc/19/89/31/1027198931.db2.gz PXFXQUKWJYZWFV-CYBMUJFWSA-N 1 2 344.425 3.983 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCCCS1 ZINC000273009544 1027222168 /nfs/dbraw/zinc/22/21/68/1027222168.db2.gz UZZXPSYSVMWAPK-KRWDZBQOSA-N 1 2 339.464 3.826 20 0 EHADLO FC(F)(F)c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000302669801 1027230175 /nfs/dbraw/zinc/23/01/75/1027230175.db2.gz DFPCEVGKLJPNIY-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000076054716 1027231810 /nfs/dbraw/zinc/23/18/10/1027231810.db2.gz SIQDLQLVBGRPSC-ROUUACIJSA-N 1 2 338.455 3.758 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000076053431 1027232234 /nfs/dbraw/zinc/23/22/34/1027232234.db2.gz FFUVBSVUEZBEDL-UKRRQHHQSA-N 1 2 338.411 3.806 20 0 EHADLO Nc1ccc(CNc2nc(-c3cccs3)nc3ccccc32)c[nH+]1 ZINC000302671146 1027233169 /nfs/dbraw/zinc/23/31/69/1027233169.db2.gz DSMZFAFTKZAQBP-UHFFFAOYSA-N 1 2 333.420 3.948 20 0 EHADLO CC[N@H+](Cc1ccc(S(C)(=O)=O)s1)[C@H](C)Cc1ccsc1 ZINC000414432913 1027236355 /nfs/dbraw/zinc/23/63/55/1027236355.db2.gz NJXGQMWWWFBPBB-GFCCVEGCSA-N 1 2 343.539 3.666 20 0 EHADLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)[C@H](C)Cc1ccsc1 ZINC000414432913 1027236370 /nfs/dbraw/zinc/23/63/70/1027236370.db2.gz NJXGQMWWWFBPBB-GFCCVEGCSA-N 1 2 343.539 3.666 20 0 EHADLO Fc1cccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)ncnc12 ZINC000302684371 1027237122 /nfs/dbraw/zinc/23/71/22/1027237122.db2.gz QECPSKZZPNKDDN-UHFFFAOYSA-N 1 2 333.370 3.626 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302686907 1027238449 /nfs/dbraw/zinc/23/84/49/1027238449.db2.gz ANSVSCHSIKKPTH-LBPRGKRZSA-N 1 2 334.876 3.856 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302686907 1027238461 /nfs/dbraw/zinc/23/84/61/1027238461.db2.gz ANSVSCHSIKKPTH-LBPRGKRZSA-N 1 2 334.876 3.856 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000514113348 1027245672 /nfs/dbraw/zinc/24/56/72/1027245672.db2.gz RXTYXCMEUNLFEC-IAGOWNOFSA-N 1 2 340.467 3.783 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000514113348 1027245689 /nfs/dbraw/zinc/24/56/89/1027245689.db2.gz RXTYXCMEUNLFEC-IAGOWNOFSA-N 1 2 340.467 3.783 20 0 EHADLO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1noc(-c2ccccc2)n1 ZINC000153169610 1027267409 /nfs/dbraw/zinc/26/74/09/1027267409.db2.gz SEYVUXCQGKIOMW-AWEZNQCLSA-N 1 2 333.391 3.863 20 0 EHADLO CC[C@H](C)[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000453034731 1027275201 /nfs/dbraw/zinc/27/52/01/1027275201.db2.gz YBJWYJFFDGVLPX-GJZGRUSLSA-N 1 2 329.444 3.718 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccco1 ZINC000273263808 1027343229 /nfs/dbraw/zinc/34/32/29/1027343229.db2.gz LFYABOXLMVRMLZ-CYBMUJFWSA-N 1 2 335.354 3.892 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000302881139 1027344758 /nfs/dbraw/zinc/34/47/58/1027344758.db2.gz HUGBGDHOZIKXRZ-ZDUSSCGKSA-N 1 2 348.903 3.881 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000302881139 1027344769 /nfs/dbraw/zinc/34/47/69/1027344769.db2.gz HUGBGDHOZIKXRZ-ZDUSSCGKSA-N 1 2 348.903 3.881 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c2ncnn21 ZINC000657568422 1027349873 /nfs/dbraw/zinc/34/98/73/1027349873.db2.gz GGXVYDBGGCITOX-HZMBPMFUSA-N 1 2 345.859 3.851 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302918725 1027360662 /nfs/dbraw/zinc/36/06/62/1027360662.db2.gz YANIIEIXEBLSFC-ZIAGYGMSSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302918725 1027360677 /nfs/dbraw/zinc/36/06/77/1027360677.db2.gz YANIIEIXEBLSFC-ZIAGYGMSSA-N 1 2 338.546 3.506 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CCCC1 ZINC001143446911 1027372622 /nfs/dbraw/zinc/37/26/22/1027372622.db2.gz JWQOIHJNTYTOSS-UHFFFAOYSA-N 1 2 349.324 3.642 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CCCC1 ZINC001143446911 1027372640 /nfs/dbraw/zinc/37/26/40/1027372640.db2.gz JWQOIHJNTYTOSS-UHFFFAOYSA-N 1 2 349.324 3.642 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453107869 1027374117 /nfs/dbraw/zinc/37/41/17/1027374117.db2.gz IDQRLJVSTSUQSU-IUODEOHRSA-N 1 2 341.377 3.960 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000127926927 1027376452 /nfs/dbraw/zinc/37/64/52/1027376452.db2.gz FOVJVNXMZGOMPW-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCN(Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019662 1027385107 /nfs/dbraw/zinc/38/51/07/1027385107.db2.gz CVWDJBUXZHZTPA-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO CCC[C@@H]1SCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000609882700 1027395564 /nfs/dbraw/zinc/39/55/64/1027395564.db2.gz JKMGFBZTNFQWGX-KRWDZBQOSA-N 1 2 349.525 3.578 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000077549249 1027428214 /nfs/dbraw/zinc/42/82/14/1027428214.db2.gz NQWWMPXZAGNREM-IRXDYDNUSA-N 1 2 340.471 3.845 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273521796 1027473851 /nfs/dbraw/zinc/47/38/51/1027473851.db2.gz QCRVGBYOXZSYQY-HZPDHXFCSA-N 1 2 347.434 3.858 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273521796 1027473861 /nfs/dbraw/zinc/47/38/61/1027473861.db2.gz QCRVGBYOXZSYQY-HZPDHXFCSA-N 1 2 347.434 3.858 20 0 EHADLO Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)nc(-c2ccccn2)n1 ZINC000077982054 1027478290 /nfs/dbraw/zinc/47/82/90/1027478290.db2.gz OFOOZQTWGOKXJS-UHFFFAOYSA-N 1 2 329.363 3.825 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C/Cc2ccccc2)c1C ZINC001625946356 1027501638 /nfs/dbraw/zinc/50/16/38/1027501638.db2.gz BCGSMEVHQYJUDG-CMDGGOBGSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977140 1027507438 /nfs/dbraw/zinc/50/74/38/1027507438.db2.gz PHZGHDWGXMBIME-QAPCUYQASA-N 1 2 349.434 3.670 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977140 1027507452 /nfs/dbraw/zinc/50/74/52/1027507452.db2.gz PHZGHDWGXMBIME-QAPCUYQASA-N 1 2 349.434 3.670 20 0 EHADLO COC(=O)C[NH+]1CCC(Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000475511766 1027509509 /nfs/dbraw/zinc/50/95/09/1027509509.db2.gz TXHSCWSZVRDZGW-UHFFFAOYSA-N 1 2 342.439 3.613 20 0 EHADLO CC[N@H+](CC(=O)OCc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000303380566 1027542532 /nfs/dbraw/zinc/54/25/32/1027542532.db2.gz MKMYORSHDZTPIN-MRXNPFEDSA-N 1 2 327.424 3.822 20 0 EHADLO CC[N@@H+](CC(=O)OCc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000303380566 1027542542 /nfs/dbraw/zinc/54/25/42/1027542542.db2.gz MKMYORSHDZTPIN-MRXNPFEDSA-N 1 2 327.424 3.822 20 0 EHADLO CC[N@H+](Cc1nc(C2(c3cc(Cl)ccc3OC)CC2)no1)C1CC1 ZINC000420511057 1027582772 /nfs/dbraw/zinc/58/27/72/1027582772.db2.gz AWQMEQVAUCCSDS-UHFFFAOYSA-N 1 2 347.846 3.796 20 0 EHADLO CC[N@@H+](Cc1nc(C2(c3cc(Cl)ccc3OC)CC2)no1)C1CC1 ZINC000420511057 1027582776 /nfs/dbraw/zinc/58/27/76/1027582776.db2.gz AWQMEQVAUCCSDS-UHFFFAOYSA-N 1 2 347.846 3.796 20 0 EHADLO Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1C[NH+](C)C ZINC000414461480 1027626521 /nfs/dbraw/zinc/62/65/21/1027626521.db2.gz FOTRKWWKGXVVSW-UHFFFAOYSA-N 1 2 344.889 3.572 20 0 EHADLO CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H](C)Cc1ccsc1 ZINC000422200075 1027634847 /nfs/dbraw/zinc/63/48/47/1027634847.db2.gz FHCHFLZEHGJBET-HNNXBMFYSA-N 1 2 331.485 3.923 20 0 EHADLO Cc1ccc(CCCC(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000079546947 1027651563 /nfs/dbraw/zinc/65/15/63/1027651563.db2.gz JTASIDXGBUUFFL-UHFFFAOYSA-N 1 2 341.480 3.694 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000565157680 1027673930 /nfs/dbraw/zinc/67/39/30/1027673930.db2.gz QIAFRBPFBGWFHT-CYBMUJFWSA-N 1 2 334.851 3.545 20 0 EHADLO CCCc1nc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)co1 ZINC000347331640 1027720050 /nfs/dbraw/zinc/72/00/50/1027720050.db2.gz GWPOUOMPDYILCN-UHFFFAOYSA-N 1 2 335.367 3.838 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(F)cc3NC3CC3)[nH+]c12 ZINC000532672408 1027742902 /nfs/dbraw/zinc/74/29/02/1027742902.db2.gz LEVITRMDIPGFPE-UHFFFAOYSA-N 1 2 338.386 3.537 20 0 EHADLO COc1cc(Br)cnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085610 1027763308 /nfs/dbraw/zinc/76/33/08/1027763308.db2.gz NXZGTRUJEJZFDY-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000342868136 1027765609 /nfs/dbraw/zinc/76/56/09/1027765609.db2.gz JRLLBECUOLTJSX-LBPRGKRZSA-N 1 2 338.854 3.700 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000342868136 1027765619 /nfs/dbraw/zinc/76/56/19/1027765619.db2.gz JRLLBECUOLTJSX-LBPRGKRZSA-N 1 2 338.854 3.700 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc(C)[nH+]1 ZINC000420841704 1027783777 /nfs/dbraw/zinc/78/37/77/1027783777.db2.gz CRYGCPWMDOOVFE-ZDUSSCGKSA-N 1 2 345.393 3.806 20 0 EHADLO CN(c1nc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cs1)C1CC1 ZINC000131530882 1027788078 /nfs/dbraw/zinc/78/80/78/1027788078.db2.gz VIHUEWJQLPWWNM-UHFFFAOYSA-N 1 2 343.496 3.860 20 0 EHADLO CN(c1nc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cs1)C1CC1 ZINC000131530882 1027788098 /nfs/dbraw/zinc/78/80/98/1027788098.db2.gz VIHUEWJQLPWWNM-UHFFFAOYSA-N 1 2 343.496 3.860 20 0 EHADLO Cc1cccc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C)c1 ZINC000153389317 1027790760 /nfs/dbraw/zinc/79/07/60/1027790760.db2.gz UKJYCRDARGQKCM-AEFFLSMTSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)o1 ZINC000536607069 1027796556 /nfs/dbraw/zinc/79/65/56/1027796556.db2.gz NYAJQTHYZSWJOR-UHFFFAOYSA-N 1 2 343.471 3.681 20 0 EHADLO Cc1cc(CNC(=O)NCCc2csc3ccccc23)cc(C)[nH+]1 ZINC000420850022 1027808239 /nfs/dbraw/zinc/80/82/39/1027808239.db2.gz PAIZPOJMERHABH-UHFFFAOYSA-N 1 2 339.464 3.955 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)n1 ZINC000459354544 1027837964 /nfs/dbraw/zinc/83/79/64/1027837964.db2.gz MBHHJBYCQLBHBK-MRXNPFEDSA-N 1 2 343.427 3.590 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCCC[C@@H]2c2cccc(C)c2C)n1 ZINC000459354544 1027837982 /nfs/dbraw/zinc/83/79/82/1027837982.db2.gz MBHHJBYCQLBHBK-MRXNPFEDSA-N 1 2 343.427 3.590 20 0 EHADLO Fc1ccccc1[C@]1(F)CC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000338999165 1027882579 /nfs/dbraw/zinc/88/25/79/1027882579.db2.gz WFNCFPSPSCELNT-HNNXBMFYSA-N 1 2 345.315 3.655 20 0 EHADLO Fc1ccccc1[C@]1(F)CC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000338999165 1027882591 /nfs/dbraw/zinc/88/25/91/1027882591.db2.gz WFNCFPSPSCELNT-HNNXBMFYSA-N 1 2 345.315 3.655 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000249409955 1027887714 /nfs/dbraw/zinc/88/77/14/1027887714.db2.gz XUDPCHMIZAKITJ-SAABIXHNSA-N 1 2 330.472 3.674 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952313 1027915274 /nfs/dbraw/zinc/91/52/74/1027915274.db2.gz SAUZILNNOQJNHM-IUODEOHRSA-N 1 2 344.352 3.595 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952313 1027915292 /nfs/dbraw/zinc/91/52/92/1027915292.db2.gz SAUZILNNOQJNHM-IUODEOHRSA-N 1 2 344.352 3.595 20 0 EHADLO CCn1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)n1 ZINC000414485688 1027943262 /nfs/dbraw/zinc/94/32/62/1027943262.db2.gz ROHWAPACBXPRHB-UHFFFAOYSA-N 1 2 328.641 3.609 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@]34CCOC4)cs2)cc1 ZINC000421007934 1027987948 /nfs/dbraw/zinc/98/79/48/1027987948.db2.gz ANAULVYPDKIXLS-SFHVURJKSA-N 1 2 330.453 3.574 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@]34CCOC4)cs2)cc1 ZINC000421007934 1027987964 /nfs/dbraw/zinc/98/79/64/1027987964.db2.gz ANAULVYPDKIXLS-SFHVURJKSA-N 1 2 330.453 3.574 20 0 EHADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153493678 1028012885 /nfs/dbraw/zinc/01/28/85/1028012885.db2.gz DCRROFTWLHYOKM-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[C@@H]2C)c(C)c1 ZINC000533526708 1028019090 /nfs/dbraw/zinc/01/90/90/1028019090.db2.gz XGJVBNDWCYLDOX-IPELMVKDSA-N 1 2 340.471 3.729 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(Br)s2)c1F ZINC000657673702 1028020375 /nfs/dbraw/zinc/02/03/75/1028020375.db2.gz MHBPISFSPLFIIF-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378706 1028024424 /nfs/dbraw/zinc/02/44/24/1028024424.db2.gz JHMWSRLPRKEJBH-UPJWGTAASA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378706 1028024442 /nfs/dbraw/zinc/02/44/42/1028024442.db2.gz JHMWSRLPRKEJBH-UPJWGTAASA-N 1 2 327.494 3.519 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000533530942 1028027247 /nfs/dbraw/zinc/02/72/47/1028027247.db2.gz UNDSCSTZVBOAQY-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c[nH+]1 ZINC000454259112 1028027818 /nfs/dbraw/zinc/02/78/18/1028027818.db2.gz DPFJHUGJFAWDLK-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000685040607 1028028706 /nfs/dbraw/zinc/02/87/06/1028028706.db2.gz KNYSPIPGBVLFEF-UHFFFAOYSA-N 1 2 346.177 3.541 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000533543147 1028054480 /nfs/dbraw/zinc/05/44/80/1028054480.db2.gz FVKKRFPDXPXAMZ-SCTDSRPQSA-N 1 2 340.471 3.824 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444584029 1028063398 /nfs/dbraw/zinc/06/33/98/1028063398.db2.gz RHVVBLBRYFGRDS-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nncn1-c1ccccc1 ZINC000444604996 1028068825 /nfs/dbraw/zinc/06/88/25/1028068825.db2.gz CPOOUVLBYQPZJN-GOSISDBHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nncn1-c1ccccc1 ZINC000444604996 1028068844 /nfs/dbraw/zinc/06/88/44/1028068844.db2.gz CPOOUVLBYQPZJN-GOSISDBHSA-N 1 2 334.423 3.613 20 0 EHADLO CC[C@@]1(C)Oc2ccc(NC(=O)NCc3cc(C)[nH+]c(C)c3)cc2O1 ZINC000421088431 1028072777 /nfs/dbraw/zinc/07/27/77/1028072777.db2.gz AWUAWYPWSWMRME-IBGZPJMESA-N 1 2 341.411 3.918 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)NCCNc2cccc[nH+]2)c1C ZINC000444621574 1028092956 /nfs/dbraw/zinc/09/29/56/1028092956.db2.gz SQDBYQVLZHEBAW-UHFFFAOYSA-N 1 2 335.407 3.800 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503728999 1028106278 /nfs/dbraw/zinc/10/62/78/1028106278.db2.gz PVSVPSZBIYDIKL-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503728999 1028106287 /nfs/dbraw/zinc/10/62/87/1028106287.db2.gz PVSVPSZBIYDIKL-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1ccccc1 ZINC000423023251 1028120385 /nfs/dbraw/zinc/12/03/85/1028120385.db2.gz HCVNCPDUGLXMBE-RDTXWAMCSA-N 1 2 332.394 3.521 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000444706962 1028183164 /nfs/dbraw/zinc/18/31/64/1028183164.db2.gz PEWZLOOIJMOVKK-CQSZACIVSA-N 1 2 339.361 3.629 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000444706962 1028183174 /nfs/dbraw/zinc/18/31/74/1028183174.db2.gz PEWZLOOIJMOVKK-CQSZACIVSA-N 1 2 339.361 3.629 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000444734349 1028201252 /nfs/dbraw/zinc/20/12/52/1028201252.db2.gz LESFZWBKVSZCLU-ZDUSSCGKSA-N 1 2 326.375 3.772 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000444734349 1028201266 /nfs/dbraw/zinc/20/12/66/1028201266.db2.gz LESFZWBKVSZCLU-ZDUSSCGKSA-N 1 2 326.375 3.772 20 0 EHADLO CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCCC1 ZINC000548778961 1028209768 /nfs/dbraw/zinc/20/97/68/1028209768.db2.gz IKQZQBGJETVMKU-UHFFFAOYSA-N 1 2 327.432 3.513 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000135631849 1028211845 /nfs/dbraw/zinc/21/18/45/1028211845.db2.gz NAJVOABGAQSRRN-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000135631849 1028211864 /nfs/dbraw/zinc/21/18/64/1028211864.db2.gz NAJVOABGAQSRRN-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1noc(C)n1)[C@@H](C1CCCCC1)C2 ZINC000444748476 1028235201 /nfs/dbraw/zinc/23/52/01/1028235201.db2.gz PWVJHIONKKNEMK-LJQANCHMSA-N 1 2 341.455 3.894 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1noc(C)n1)[C@@H](C1CCCCC1)C2 ZINC000444748476 1028235211 /nfs/dbraw/zinc/23/52/11/1028235211.db2.gz PWVJHIONKKNEMK-LJQANCHMSA-N 1 2 341.455 3.894 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)n1 ZINC000054678562 1028243412 /nfs/dbraw/zinc/24/34/12/1028243412.db2.gz CENHWJFYNFBJMV-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455486422 1028255140 /nfs/dbraw/zinc/25/51/40/1028255140.db2.gz RWGZMFPXCAMBJV-LLVKDONJSA-N 1 2 335.860 3.850 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)COCc2ccccc2)c(C)[nH+]1 ZINC000455490717 1028261527 /nfs/dbraw/zinc/26/15/27/1028261527.db2.gz XFVKEUQNRCJSGS-CQSZACIVSA-N 1 2 341.455 3.981 20 0 EHADLO [NH3+][C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1c(F)cccc1F ZINC000423204654 1028272912 /nfs/dbraw/zinc/27/29/12/1028272912.db2.gz OHNCOFQUNXPUSW-GOSISDBHSA-N 1 2 348.368 3.543 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455505526 1028282421 /nfs/dbraw/zinc/28/24/21/1028282421.db2.gz XJPFNEQOARAJIN-XLIONFOSSA-N 1 2 339.439 3.867 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000502521858 1028285385 /nfs/dbraw/zinc/28/53/85/1028285385.db2.gz HXYPKMGBFKFBDG-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000502521858 1028285398 /nfs/dbraw/zinc/28/53/98/1028285398.db2.gz HXYPKMGBFKFBDG-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421345155 1028289281 /nfs/dbraw/zinc/28/92/81/1028289281.db2.gz QQBMSHAZWADBRP-YVEFUNNKSA-N 1 2 333.863 3.974 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421345155 1028289296 /nfs/dbraw/zinc/28/92/96/1028289296.db2.gz QQBMSHAZWADBRP-YVEFUNNKSA-N 1 2 333.863 3.974 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344922 1028291481 /nfs/dbraw/zinc/29/14/81/1028291481.db2.gz QQBMSHAZWADBRP-SJKOYZFVSA-N 1 2 333.863 3.974 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344922 1028291492 /nfs/dbraw/zinc/29/14/92/1028291492.db2.gz QQBMSHAZWADBRP-SJKOYZFVSA-N 1 2 333.863 3.974 20 0 EHADLO COc1ccc2cc(C[NH2+]Cc3nn(C)c(C)c3Cl)ccc2c1 ZINC000421333184 1028299885 /nfs/dbraw/zinc/29/98/85/1028299885.db2.gz NQGORGQTNMIYEV-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(Br)cc2)nn1C ZINC000421332827 1028301765 /nfs/dbraw/zinc/30/17/65/1028301765.db2.gz MIPSHEIHAUZWOO-SECBINFHSA-N 1 2 342.668 3.995 20 0 EHADLO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359369 1028310222 /nfs/dbraw/zinc/31/02/22/1028310222.db2.gz FQWMSOJYQNLIIZ-IUCAKERBSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359369 1028310240 /nfs/dbraw/zinc/31/02/40/1028310240.db2.gz FQWMSOJYQNLIIZ-IUCAKERBSA-N 1 2 338.698 3.614 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)nn1 ZINC000421402796 1028349026 /nfs/dbraw/zinc/34/90/26/1028349026.db2.gz MXGJOGRILJJURL-UHFFFAOYSA-N 1 2 342.365 3.624 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000067462730 1028368050 /nfs/dbraw/zinc/36/80/50/1028368050.db2.gz ANJGRXYSBSEMLS-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000067462730 1028368069 /nfs/dbraw/zinc/36/80/69/1028368069.db2.gz ANJGRXYSBSEMLS-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000582968367 1028389425 /nfs/dbraw/zinc/38/94/25/1028389425.db2.gz PLVWFERFVMIXHH-HJTNVKOCSA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000582968367 1028389438 /nfs/dbraw/zinc/38/94/38/1028389438.db2.gz PLVWFERFVMIXHH-HJTNVKOCSA-N 1 2 345.430 3.950 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2cccnc2Cl)c1 ZINC000729680050 1028432117 /nfs/dbraw/zinc/43/21/17/1028432117.db2.gz VKPIKTVWPJQNQW-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO Cc1cc(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc[nH+]1 ZINC000068541599 1028399707 /nfs/dbraw/zinc/39/97/07/1028399707.db2.gz BYEYZFYSMRADDP-UHFFFAOYSA-N 1 2 332.407 3.625 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc(C4CC4)nc3)[C@H](C)CO2)c1 ZINC000459378014 1028401694 /nfs/dbraw/zinc/40/16/94/1028401694.db2.gz PFEFWHKQYWLHMS-OXQOHEQNSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc(C4CC4)nc3)[C@H](C)CO2)c1 ZINC000459378014 1028401709 /nfs/dbraw/zinc/40/17/09/1028401709.db2.gz PFEFWHKQYWLHMS-OXQOHEQNSA-N 1 2 337.467 3.933 20 0 EHADLO O=C(CCC1CCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046535 1028403446 /nfs/dbraw/zinc/40/34/46/1028403446.db2.gz PMHDEASMJIQEMT-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079025671 1028417723 /nfs/dbraw/zinc/41/77/23/1028417723.db2.gz VBDIEXTTZRGUAA-UHFFFAOYSA-N 1 2 342.487 3.899 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]nc2-c2ccc(Cl)cc2)c[nH+]1 ZINC000141175864 1028419414 /nfs/dbraw/zinc/41/94/14/1028419414.db2.gz JADWTKKGTWQULN-UHFFFAOYSA-N 1 2 327.819 3.803 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062127342 1028440287 /nfs/dbraw/zinc/44/02/87/1028440287.db2.gz VUDZHTKVCHMYIG-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062127342 1028440291 /nfs/dbraw/zinc/44/02/91/1028440291.db2.gz VUDZHTKVCHMYIG-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@H](C)O1 ZINC000523609282 1028466182 /nfs/dbraw/zinc/46/61/82/1028466182.db2.gz DKIOQORKKMLLNG-STQMWFEESA-N 1 2 333.453 3.687 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C[C@H](C)O1 ZINC000523609282 1028466188 /nfs/dbraw/zinc/46/61/88/1028466188.db2.gz DKIOQORKKMLLNG-STQMWFEESA-N 1 2 333.453 3.687 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000513750639 1028477159 /nfs/dbraw/zinc/47/71/59/1028477159.db2.gz LQKCRELTWRWDCK-IBGZPJMESA-N 1 2 329.827 3.848 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000513750639 1028477167 /nfs/dbraw/zinc/47/71/67/1028477167.db2.gz LQKCRELTWRWDCK-IBGZPJMESA-N 1 2 329.827 3.848 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NC1(c2cccc(Cl)c2)CC1 ZINC000153649849 1028478200 /nfs/dbraw/zinc/47/82/00/1028478200.db2.gz HRZKKVBXLXIAEQ-UHFFFAOYSA-N 1 2 344.846 3.526 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCc2ccc(Cl)cc2)c[nH+]1 ZINC000455565944 1028483403 /nfs/dbraw/zinc/48/34/03/1028483403.db2.gz XIDZTNTVWGUEEF-UHFFFAOYSA-N 1 2 331.847 3.736 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(OC3CCCCC3)CC2)c[nH+]1 ZINC000455564680 1028483491 /nfs/dbraw/zinc/48/34/91/1028483491.db2.gz VJJDWNHVKKAYDR-UHFFFAOYSA-N 1 2 345.487 3.722 20 0 EHADLO Cc1c(Br)scc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574858 1028568592 /nfs/dbraw/zinc/56/85/92/1028568592.db2.gz HWHHFEAEZMBZHN-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000421576401 1028571384 /nfs/dbraw/zinc/57/13/84/1028571384.db2.gz MFUXPLWOELUDHL-HOTGVXAUSA-N 1 2 346.377 3.720 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000073986204 1028588543 /nfs/dbraw/zinc/58/85/43/1028588543.db2.gz SUGXPHAHIMACEG-CQSZACIVSA-N 1 2 340.423 3.529 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000073986204 1028588554 /nfs/dbraw/zinc/58/85/54/1028588554.db2.gz SUGXPHAHIMACEG-CQSZACIVSA-N 1 2 340.423 3.529 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000074221085 1028602491 /nfs/dbraw/zinc/60/24/91/1028602491.db2.gz ZNXKASGNSNYUAQ-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO C[C@H](CN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000523750883 1028603375 /nfs/dbraw/zinc/60/33/75/1028603375.db2.gz MRGDJHYSLBGTCY-QGZVFWFLSA-N 1 2 348.450 3.817 20 0 EHADLO CC(C)([NH2+]Cc1c(F)cccc1Cl)C(=O)NCC1CCCC1 ZINC000502731977 1028615812 /nfs/dbraw/zinc/61/58/12/1028615812.db2.gz WPOSYWNIMXHLPH-UHFFFAOYSA-N 1 2 326.843 3.654 20 0 EHADLO CC1(C)C[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000504422012 1028637486 /nfs/dbraw/zinc/63/74/86/1028637486.db2.gz NYXUGWDVFSSNCD-WFASDCNBSA-N 1 2 338.854 3.778 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000523853858 1028662562 /nfs/dbraw/zinc/66/25/62/1028662562.db2.gz XXIFUFLUCLQIAG-AWEZNQCLSA-N 1 2 335.517 3.922 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000523853858 1028662567 /nfs/dbraw/zinc/66/25/67/1028662567.db2.gz XXIFUFLUCLQIAG-AWEZNQCLSA-N 1 2 335.517 3.922 20 0 EHADLO CC(C)c1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c2ccccc2n1 ZINC000153728841 1028667095 /nfs/dbraw/zinc/66/70/95/1028667095.db2.gz RPNPGXZKXPGLKW-OAHLLOKOSA-N 1 2 336.439 3.621 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(C)CCCCC1 ZINC000583057856 1028705948 /nfs/dbraw/zinc/70/59/48/1028705948.db2.gz NFQMJIISFHRMOO-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000421747346 1028748300 /nfs/dbraw/zinc/74/83/00/1028748300.db2.gz HNUOEDUTMOUDAY-ZDUSSCGKSA-N 1 2 346.500 3.908 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000421747346 1028748314 /nfs/dbraw/zinc/74/83/14/1028748314.db2.gz HNUOEDUTMOUDAY-ZDUSSCGKSA-N 1 2 346.500 3.908 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000421762693 1028761515 /nfs/dbraw/zinc/76/15/15/1028761515.db2.gz NUEREBKKIKURSG-HNNXBMFYSA-N 1 2 341.455 3.613 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000664376082 1028763969 /nfs/dbraw/zinc/76/39/69/1028763969.db2.gz PDLWGFKQXDBANE-RBUKOAKNSA-N 1 2 340.854 3.576 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1OCC(F)(F)F ZINC000245538211 1028782867 /nfs/dbraw/zinc/78/28/67/1028782867.db2.gz JKWMHPDUWJQAIK-OLZOCXBDSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1OCC(F)(F)F ZINC000245538211 1028782879 /nfs/dbraw/zinc/78/28/79/1028782879.db2.gz JKWMHPDUWJQAIK-OLZOCXBDSA-N 1 2 347.377 3.636 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000502889552 1028785743 /nfs/dbraw/zinc/78/57/43/1028785743.db2.gz YNLPSBPUAJFIEO-MSOLQXFVSA-N 1 2 325.399 3.548 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000502889552 1028785747 /nfs/dbraw/zinc/78/57/47/1028785747.db2.gz YNLPSBPUAJFIEO-MSOLQXFVSA-N 1 2 325.399 3.548 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000247461248 1028791196 /nfs/dbraw/zinc/79/11/96/1028791196.db2.gz IJTQTQUENXCTKF-PWSUYJOCSA-N 1 2 330.856 3.634 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000247461248 1028791210 /nfs/dbraw/zinc/79/12/10/1028791210.db2.gz IJTQTQUENXCTKF-PWSUYJOCSA-N 1 2 330.856 3.634 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc3ccccc3c2)nc2ccccc2c1=O ZINC000532771303 1028795708 /nfs/dbraw/zinc/79/57/08/1028795708.db2.gz QKVBHIZKVDLYGQ-UHFFFAOYSA-N 1 2 343.430 3.719 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc3ccccc3c2)nc2ccccc2c1=O ZINC000532771303 1028795720 /nfs/dbraw/zinc/79/57/20/1028795720.db2.gz QKVBHIZKVDLYGQ-UHFFFAOYSA-N 1 2 343.430 3.719 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421791451 1028799175 /nfs/dbraw/zinc/79/91/75/1028799175.db2.gz IRJOMQAKEGJQAO-PTOXDTDZSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421791451 1028799195 /nfs/dbraw/zinc/79/91/95/1028799195.db2.gz IRJOMQAKEGJQAO-PTOXDTDZSA-N 1 2 336.838 3.531 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000424146414 1028831537 /nfs/dbraw/zinc/83/15/37/1028831537.db2.gz PRDKBQKRHZBKKG-GFCCVEGCSA-N 1 2 329.379 3.504 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2csnn2)[C@H]1Sc1ccccc1 ZINC000414555227 1028854797 /nfs/dbraw/zinc/85/47/97/1028854797.db2.gz WMOKZJYNJACUMJ-KSZJFAHPSA-N 1 2 335.498 3.527 20 0 EHADLO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664380038 1028860949 /nfs/dbraw/zinc/86/09/49/1028860949.db2.gz UYUJKQWDNURRSA-OFQRWUPVSA-N 1 2 348.516 3.687 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000502922758 1028870021 /nfs/dbraw/zinc/87/00/21/1028870021.db2.gz AYFWVMZVTRZQPA-UHFFFAOYSA-N 1 2 344.455 3.853 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000502922758 1028870041 /nfs/dbraw/zinc/87/00/41/1028870041.db2.gz AYFWVMZVTRZQPA-UHFFFAOYSA-N 1 2 344.455 3.853 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502940916 1028904335 /nfs/dbraw/zinc/90/43/35/1028904335.db2.gz SIOZTEMBIABTMH-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502940916 1028904347 /nfs/dbraw/zinc/90/43/47/1028904347.db2.gz SIOZTEMBIABTMH-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1C(F)(F)F ZINC000414558515 1028913562 /nfs/dbraw/zinc/91/35/62/1028913562.db2.gz RWYIKSUSRFMOPW-UHFFFAOYSA-N 1 2 331.338 3.863 20 0 EHADLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454473995 1028942890 /nfs/dbraw/zinc/94/28/90/1028942890.db2.gz YHFAYNCBGNTQHO-DOMZBBRYSA-N 1 2 332.835 3.514 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532847409 1028951943 /nfs/dbraw/zinc/95/19/43/1028951943.db2.gz NSKSGANLAUNJTC-HZPDHXFCSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532847409 1028951956 /nfs/dbraw/zinc/95/19/56/1028951956.db2.gz NSKSGANLAUNJTC-HZPDHXFCSA-N 1 2 341.858 3.712 20 0 EHADLO CC(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532851161 1028955578 /nfs/dbraw/zinc/95/55/78/1028955578.db2.gz FONWALAGSACDLQ-HOTGVXAUSA-N 1 2 341.858 3.522 20 0 EHADLO CC(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532851161 1028955601 /nfs/dbraw/zinc/95/56/01/1028955601.db2.gz FONWALAGSACDLQ-HOTGVXAUSA-N 1 2 341.858 3.522 20 0 EHADLO c1cc2ccc(-c3noc(-c4ccc(Cn5cc[nH+]c5)cc4)n3)nc2[nH]1 ZINC000445575640 1028956615 /nfs/dbraw/zinc/95/66/15/1028956615.db2.gz ROESIAUVZYCZHJ-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000343071465 1028962592 /nfs/dbraw/zinc/96/25/92/1028962592.db2.gz AOHDUAHJLJPBHZ-OALUTQOASA-N 1 2 331.419 3.567 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248901629 1028964677 /nfs/dbraw/zinc/96/46/77/1028964677.db2.gz VLHVYSKPUCYELW-HNAYVOBHSA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248901629 1028964689 /nfs/dbraw/zinc/96/46/89/1028964689.db2.gz VLHVYSKPUCYELW-HNAYVOBHSA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000248895703 1028964736 /nfs/dbraw/zinc/96/47/36/1028964736.db2.gz TYIJRPNQMCYIGM-RHSMWYFYSA-N 1 2 331.485 3.561 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000248895703 1028964747 /nfs/dbraw/zinc/96/47/47/1028964747.db2.gz TYIJRPNQMCYIGM-RHSMWYFYSA-N 1 2 331.485 3.561 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)s1 ZINC000424323239 1028971251 /nfs/dbraw/zinc/97/12/51/1028971251.db2.gz IVEPERYBZVIIRJ-NOZJJQNGSA-N 1 2 336.844 3.921 20 0 EHADLO Cc1ccn(C)c1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278098284 1028976744 /nfs/dbraw/zinc/97/67/44/1028976744.db2.gz KDILZKUKSSHCJE-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000245658078 1028981877 /nfs/dbraw/zinc/98/18/77/1028981877.db2.gz MBSGUNPPFZTAAF-UKRRQHHQSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000245658078 1028981892 /nfs/dbraw/zinc/98/18/92/1028981892.db2.gz MBSGUNPPFZTAAF-UKRRQHHQSA-N 1 2 337.533 3.826 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H](Cc2ccncc2)c2cccs2)n1 ZINC000424358038 1029008574 /nfs/dbraw/zinc/00/85/74/1029008574.db2.gz XDDSUNTWSZENIQ-CQSZACIVSA-N 1 2 332.860 3.604 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000245698904 1029035098 /nfs/dbraw/zinc/03/50/98/1029035098.db2.gz CUVZNEMWYSLBQL-GJZGRUSLSA-N 1 2 335.469 3.508 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000245698904 1029035116 /nfs/dbraw/zinc/03/51/16/1029035116.db2.gz CUVZNEMWYSLBQL-GJZGRUSLSA-N 1 2 335.469 3.508 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076725619 1029038706 /nfs/dbraw/zinc/03/87/06/1029038706.db2.gz ZQNBCVUUJCAWJY-HOCLYGCPSA-N 1 2 331.485 3.927 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076725619 1029038722 /nfs/dbraw/zinc/03/87/22/1029038722.db2.gz ZQNBCVUUJCAWJY-HOCLYGCPSA-N 1 2 331.485 3.927 20 0 EHADLO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1csc(C)n1 ZINC000076728686 1029038937 /nfs/dbraw/zinc/03/89/37/1029038937.db2.gz QXAHNNNEOSXRQM-UHFFFAOYSA-N 1 2 338.448 3.508 20 0 EHADLO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1csc(C)n1 ZINC000076728686 1029038920 /nfs/dbraw/zinc/03/89/20/1029038920.db2.gz QXAHNNNEOSXRQM-UHFFFAOYSA-N 1 2 338.448 3.508 20 0 EHADLO Cc1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3O)CC2)[nH+]c1 ZINC000077012783 1029071433 /nfs/dbraw/zinc/07/14/33/1029071433.db2.gz DSNGMKFYCFLDQW-UHFFFAOYSA-N 1 2 345.830 3.604 20 0 EHADLO CCC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000454600260 1029090962 /nfs/dbraw/zinc/09/09/62/1029090962.db2.gz PRVOORUPHXJMPT-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO Cc1cc(CNC(=O)NC(C)(C)CCc2ccccc2)cc(C)[nH+]1 ZINC000422148906 1029096311 /nfs/dbraw/zinc/09/63/11/1029096311.db2.gz CFJRCHUFPWTGFF-UHFFFAOYSA-N 1 2 325.456 3.909 20 0 EHADLO CC(C)Cc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000154341998 1029127010 /nfs/dbraw/zinc/12/70/10/1029127010.db2.gz SZQMBMQSVRZTCR-UHFFFAOYSA-N 1 2 336.439 3.962 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000154341998 1029127026 /nfs/dbraw/zinc/12/70/26/1029127026.db2.gz SZQMBMQSVRZTCR-UHFFFAOYSA-N 1 2 336.439 3.962 20 0 EHADLO CCc1nc(N2CCN(c3cccc4cnccc43)C[C@H]2C)cc(C)[nH+]1 ZINC000343093341 1029127144 /nfs/dbraw/zinc/12/71/44/1029127144.db2.gz HZSSGZBGXWZCAT-MRXNPFEDSA-N 1 2 347.466 3.611 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000271744083 1029149882 /nfs/dbraw/zinc/14/98/82/1029149882.db2.gz JFUCOFRUWKFADY-SNVBAGLBSA-N 1 2 325.311 3.518 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000532999793 1029158173 /nfs/dbraw/zinc/15/81/73/1029158173.db2.gz GTRXZWRULXZCNM-UHFFFAOYSA-N 1 2 329.444 3.995 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000532999793 1029158184 /nfs/dbraw/zinc/15/81/84/1029158184.db2.gz GTRXZWRULXZCNM-UHFFFAOYSA-N 1 2 329.444 3.995 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000475634797 1029163068 /nfs/dbraw/zinc/16/30/68/1029163068.db2.gz LBWYBNSLERIBDR-AWEZNQCLSA-N 1 2 344.213 3.964 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000505062559 1029167088 /nfs/dbraw/zinc/16/70/88/1029167088.db2.gz LOOLWOIHVJJIAW-MJGOQNOKSA-N 1 2 325.456 3.876 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000079804425 1029198174 /nfs/dbraw/zinc/19/81/74/1029198174.db2.gz BZBSNHYMEWVRIB-OAHLLOKOSA-N 1 2 327.428 3.607 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271847843 1029199060 /nfs/dbraw/zinc/19/90/60/1029199060.db2.gz ZLOADZDLWPOVQT-GFCCVEGCSA-N 1 2 334.366 3.653 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3cc(Cl)ccc3C2)c[nH+]1 ZINC000455579186 1029206017 /nfs/dbraw/zinc/20/60/17/1029206017.db2.gz VUMXJRMMKCYVQG-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cscc1Cl ZINC000632760991 1029208519 /nfs/dbraw/zinc/20/85/19/1029208519.db2.gz KBRXCTWJWIHAQF-UHFFFAOYSA-N 1 2 325.865 3.713 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424683862 1029235243 /nfs/dbraw/zinc/23/52/43/1029235243.db2.gz RARLLPVHMJVIOO-CRAIPNDOSA-N 1 2 330.472 3.592 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC000245749572 1029239102 /nfs/dbraw/zinc/23/91/02/1029239102.db2.gz GYVDQPSPGSDEEG-HYVNUMGLSA-N 1 2 336.501 3.569 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC000245749572 1029239116 /nfs/dbraw/zinc/23/91/16/1029239116.db2.gz GYVDQPSPGSDEEG-HYVNUMGLSA-N 1 2 336.501 3.569 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3c(c2)N=S=N3)c1C ZINC000271957274 1029244253 /nfs/dbraw/zinc/24/42/53/1029244253.db2.gz SKXHLPSDSBDJNZ-UHFFFAOYSA-N 1 2 342.424 3.706 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245770508 1029270471 /nfs/dbraw/zinc/27/04/71/1029270471.db2.gz SDMWHOZMVHRLLA-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245770508 1029270485 /nfs/dbraw/zinc/27/04/85/1029270485.db2.gz SDMWHOZMVHRLLA-DGCLKSJQSA-N 1 2 332.398 3.901 20 0 EHADLO CC(C)c1ccc([C@H](C)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000272039588 1029283682 /nfs/dbraw/zinc/28/36/82/1029283682.db2.gz PZIHYFMAGLNGJL-KRWDZBQOSA-N 1 2 342.487 3.512 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC000445988003 1029296431 /nfs/dbraw/zinc/29/64/31/1029296431.db2.gz KLUIKQSGHLEDCQ-VHDGCEQUSA-N 1 2 329.362 3.883 20 0 EHADLO COCC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(C)o1 ZINC000272173314 1029343891 /nfs/dbraw/zinc/34/38/91/1029343891.db2.gz HKQWQPIRMMTYHR-HNNXBMFYSA-N 1 2 330.432 3.558 20 0 EHADLO COCC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(C)o1 ZINC000272173314 1029343907 /nfs/dbraw/zinc/34/39/07/1029343907.db2.gz HKQWQPIRMMTYHR-HNNXBMFYSA-N 1 2 330.432 3.558 20 0 EHADLO CSc1cccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000154920820 1029362406 /nfs/dbraw/zinc/36/24/06/1029362406.db2.gz ONINKUUYYDPOTL-OAHLLOKOSA-N 1 2 342.468 3.594 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000152048076 1029395462 /nfs/dbraw/zinc/39/54/62/1029395462.db2.gz FRUQPLNHGPAQFI-DOTOQJQBSA-N 1 2 332.492 3.692 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)o1 ZINC000078622086 1029401046 /nfs/dbraw/zinc/40/10/46/1029401046.db2.gz PBILPTWSSPKNMP-GOEBONIOSA-N 1 2 332.469 3.834 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)o1 ZINC000078622086 1029401059 /nfs/dbraw/zinc/40/10/59/1029401059.db2.gz PBILPTWSSPKNMP-GOEBONIOSA-N 1 2 332.469 3.834 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000272297250 1029404392 /nfs/dbraw/zinc/40/43/92/1029404392.db2.gz TUIKAMBDHHVMRQ-OWJWWREXSA-N 1 2 343.496 3.982 20 0 EHADLO COc1c(O)cccc1C[N@H+](C)Cc1csc(Br)c1 ZINC000272305318 1029406895 /nfs/dbraw/zinc/40/68/95/1029406895.db2.gz QLKAJKXAJFCQNG-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO COc1c(O)cccc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000272305318 1029406900 /nfs/dbraw/zinc/40/69/00/1029406900.db2.gz QLKAJKXAJFCQNG-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)Nc3cccc4[nH+]ccn43)cs2)cc1 ZINC000524653235 1029412634 /nfs/dbraw/zinc/41/26/34/1029412634.db2.gz RHSDDBVREAORJP-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)c(C)c1 ZINC000272332063 1029422809 /nfs/dbraw/zinc/42/28/09/1029422809.db2.gz VQOJDVXHFYBFFP-INIZCTEOSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1csc([C@@H]([NH2+]Cc2cccc(Br)n2)C2CC2)n1 ZINC000272437526 1029459627 /nfs/dbraw/zinc/45/96/27/1029459627.db2.gz SERIIWMJXSMBEF-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272598758 1029528005 /nfs/dbraw/zinc/52/80/05/1029528005.db2.gz GVQNHEYULULDPX-GOSISDBHSA-N 1 2 335.407 3.619 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272598758 1029528016 /nfs/dbraw/zinc/52/80/16/1029528016.db2.gz GVQNHEYULULDPX-GOSISDBHSA-N 1 2 335.407 3.619 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(Cl)sc3Cl)n2)C1 ZINC000272652917 1029551707 /nfs/dbraw/zinc/55/17/07/1029551707.db2.gz NFUUMHJXHFXPKR-SECBINFHSA-N 1 2 348.255 3.887 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(Cl)sc3Cl)n2)C1 ZINC000272652917 1029551708 /nfs/dbraw/zinc/55/17/08/1029551708.db2.gz NFUUMHJXHFXPKR-SECBINFHSA-N 1 2 348.255 3.887 20 0 EHADLO Clc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272650903 1029552215 /nfs/dbraw/zinc/55/22/15/1029552215.db2.gz MYFHMJREJJRRLF-CQSZACIVSA-N 1 2 345.786 3.557 20 0 EHADLO Clc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272650903 1029552227 /nfs/dbraw/zinc/55/22/27/1029552227.db2.gz MYFHMJREJJRRLF-CQSZACIVSA-N 1 2 345.786 3.557 20 0 EHADLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000343161508 1029553459 /nfs/dbraw/zinc/55/34/59/1029553459.db2.gz GYNSVHCEWVBRFC-CYBMUJFWSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000343161509 1029553689 /nfs/dbraw/zinc/55/36/89/1029553689.db2.gz GYNSVHCEWVBRFC-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO CCSCc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272675859 1029561680 /nfs/dbraw/zinc/56/16/80/1029561680.db2.gz RCDBKIXZWBFPKV-INIZCTEOSA-N 1 2 347.484 3.771 20 0 EHADLO CCSCc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272675859 1029561690 /nfs/dbraw/zinc/56/16/90/1029561690.db2.gz RCDBKIXZWBFPKV-INIZCTEOSA-N 1 2 347.484 3.771 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125774497 1029604174 /nfs/dbraw/zinc/60/41/74/1029604174.db2.gz QVHHSBIMDHEHTE-XHDPSFHLSA-N 1 2 338.238 3.913 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cs1 ZINC000524971589 1029641674 /nfs/dbraw/zinc/64/16/74/1029641674.db2.gz REIIWNROVQQLOO-HUUCEWRRSA-N 1 2 334.485 3.624 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cs1 ZINC000524971589 1029641683 /nfs/dbraw/zinc/64/16/83/1029641683.db2.gz REIIWNROVQQLOO-HUUCEWRRSA-N 1 2 334.485 3.624 20 0 EHADLO CN(C)c1ccc(NCc2cccc(OCC(F)(F)F)c2)[nH+]c1 ZINC000150907425 1029650210 /nfs/dbraw/zinc/65/02/10/1029650210.db2.gz LKFPNJYLUGCICE-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO CCOc1cccc(CNc2ccc(N(C)C)c[nH+]2)c1OC(F)F ZINC000150907132 1029650729 /nfs/dbraw/zinc/65/07/29/1029650729.db2.gz TYDFSGYSMPQUEW-UHFFFAOYSA-N 1 2 337.370 3.760 20 0 EHADLO OC1([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)CC1 ZINC000583325642 1029654573 /nfs/dbraw/zinc/65/45/73/1029654573.db2.gz ULPNRXCVSFBCHE-CYBMUJFWSA-N 1 2 346.215 3.607 20 0 EHADLO OC1([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)CC1 ZINC000583325642 1029654576 /nfs/dbraw/zinc/65/45/76/1029654576.db2.gz ULPNRXCVSFBCHE-CYBMUJFWSA-N 1 2 346.215 3.607 20 0 EHADLO O=C(CCCC1CCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000079515308 1029659721 /nfs/dbraw/zinc/65/97/21/1029659721.db2.gz HHOFCTNNDQPXOC-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611783471 1029661076 /nfs/dbraw/zinc/66/10/76/1029661076.db2.gz CSUMOGUWALSJCR-AXFHLTTASA-N 1 2 349.315 3.637 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611783471 1029661079 /nfs/dbraw/zinc/66/10/79/1029661079.db2.gz CSUMOGUWALSJCR-AXFHLTTASA-N 1 2 349.315 3.637 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000525051459 1029669625 /nfs/dbraw/zinc/66/96/25/1029669625.db2.gz IAJPVPXGPNDJRM-SOLBZPMBSA-N 1 2 330.472 3.845 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000114725103 1029714034 /nfs/dbraw/zinc/71/40/34/1029714034.db2.gz DIFGHNIGKHFJHV-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000114725103 1029714041 /nfs/dbraw/zinc/71/40/41/1029714041.db2.gz DIFGHNIGKHFJHV-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000162543059 1029746915 /nfs/dbraw/zinc/74/69/15/1029746915.db2.gz OGCHXWNGPSAWPP-UHFFFAOYSA-N 1 2 342.842 3.697 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000343205625 1029747105 /nfs/dbraw/zinc/74/71/05/1029747105.db2.gz RXBGCKAQFSPBBN-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000509686779 1029765675 /nfs/dbraw/zinc/76/56/75/1029765675.db2.gz SJQWJHDWNMDBFB-OXJNMPFZSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000509686779 1029765684 /nfs/dbraw/zinc/76/56/84/1029765684.db2.gz SJQWJHDWNMDBFB-OXJNMPFZSA-N 1 2 339.435 3.730 20 0 EHADLO CCOc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000126909694 1029800708 /nfs/dbraw/zinc/80/07/08/1029800708.db2.gz FFLRGBZWIBLVMW-IBGZPJMESA-N 1 2 337.423 3.696 20 0 EHADLO CCCCC1CCC(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000533771357 1029804288 /nfs/dbraw/zinc/80/42/88/1029804288.db2.gz IIXVLHGRJFSEJL-DAWZGUTISA-N 1 2 346.519 3.916 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c1 ZINC000162645567 1029826698 /nfs/dbraw/zinc/82/66/98/1029826698.db2.gz PPKLONWNZRJFRU-UHFFFAOYSA-N 1 2 325.387 3.598 20 0 EHADLO CC1(C)C[N@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475645337 1029830624 /nfs/dbraw/zinc/83/06/24/1029830624.db2.gz ZSQXNYUFGXUUPC-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475645337 1029830630 /nfs/dbraw/zinc/83/06/30/1029830630.db2.gz ZSQXNYUFGXUUPC-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)(C)CCCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533811625 1029870469 /nfs/dbraw/zinc/87/04/69/1029870469.db2.gz IJZPSJGIPBUNIW-UHFFFAOYSA-N 1 2 337.533 3.792 20 0 EHADLO COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162715991 1029871950 /nfs/dbraw/zinc/87/19/50/1029871950.db2.gz XWQOVSBLYSPUBH-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142105808 1029882854 /nfs/dbraw/zinc/88/28/54/1029882854.db2.gz ODUJLUDWHWEXFD-NSHDSACASA-N 1 2 346.254 3.864 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142105808 1029882862 /nfs/dbraw/zinc/88/28/62/1029882862.db2.gz ODUJLUDWHWEXFD-NSHDSACASA-N 1 2 346.254 3.864 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000508584185 1029912420 /nfs/dbraw/zinc/91/24/20/1029912420.db2.gz WQORXMMXRBYMAN-IEBWSBKVSA-N 1 2 337.467 3.843 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)o1 ZINC000447067559 1029916525 /nfs/dbraw/zinc/91/65/25/1029916525.db2.gz ITHQVARSAHWRAV-UHFFFAOYSA-N 1 2 327.432 3.631 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)o1 ZINC000447067559 1029916536 /nfs/dbraw/zinc/91/65/36/1029916536.db2.gz ITHQVARSAHWRAV-UHFFFAOYSA-N 1 2 327.432 3.631 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cnn(C)c1 ZINC000447075711 1029925099 /nfs/dbraw/zinc/92/50/99/1029925099.db2.gz DWUKXWAVSUDYIG-AWEZNQCLSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cnn(C)c1 ZINC000447075711 1029925115 /nfs/dbraw/zinc/92/51/15/1029925115.db2.gz DWUKXWAVSUDYIG-AWEZNQCLSA-N 1 2 334.261 3.520 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000455781961 1029928585 /nfs/dbraw/zinc/92/85/85/1029928585.db2.gz UTYWCIUSHXOFJG-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccncn1 ZINC000453221618 1029934108 /nfs/dbraw/zinc/93/41/08/1029934108.db2.gz PTTJIUBJVYZSKL-LKFCYVNXSA-N 1 2 345.752 3.533 20 0 EHADLO Cc1csc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)n1 ZINC000447098768 1029937787 /nfs/dbraw/zinc/93/77/87/1029937787.db2.gz IJUKCLAZGNTJFG-HNNXBMFYSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1csc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)n1 ZINC000447098768 1029937799 /nfs/dbraw/zinc/93/77/99/1029937799.db2.gz IJUKCLAZGNTJFG-HNNXBMFYSA-N 1 2 338.480 3.710 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871178 1029951523 /nfs/dbraw/zinc/95/15/23/1029951523.db2.gz XCVLGIJXNJYUTG-KGLIPLIRSA-N 1 2 337.464 3.698 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531871178 1029951530 /nfs/dbraw/zinc/95/15/30/1029951530.db2.gz XCVLGIJXNJYUTG-KGLIPLIRSA-N 1 2 337.464 3.698 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)s1 ZINC000156713981 1029976727 /nfs/dbraw/zinc/97/67/27/1029976727.db2.gz ILKHFNGSVNYMJU-UHFFFAOYSA-N 1 2 333.844 3.865 20 0 EHADLO CO[C@@H](Cc1ccccc1)c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000453242489 1030009859 /nfs/dbraw/zinc/00/98/59/1030009859.db2.gz CBJMRAPDPCGYIJ-ROUUACIJSA-N 1 2 337.423 3.651 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H](C)S[C@@H](C)C1 ZINC000525704933 1030043021 /nfs/dbraw/zinc/04/30/21/1030043021.db2.gz XLWDSOWTHRXQTO-BETUJISGSA-N 1 2 330.453 3.742 20 0 EHADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000171374406 1030051119 /nfs/dbraw/zinc/05/11/19/1030051119.db2.gz LEHSYMJSTXMPAL-HZPDHXFCSA-N 1 2 333.476 3.558 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccsc1 ZINC000453303134 1030068909 /nfs/dbraw/zinc/06/89/09/1030068909.db2.gz BGIYJVHMHAUXHW-GFCCVEGCSA-N 1 2 328.279 3.875 20 0 EHADLO CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1Cl ZINC000600625135 1030074736 /nfs/dbraw/zinc/07/47/36/1030074736.db2.gz MSSGAEPQRKVVBO-UHFFFAOYSA-N 1 2 330.859 3.787 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1Cl ZINC000600625135 1030074761 /nfs/dbraw/zinc/07/47/61/1030074761.db2.gz MSSGAEPQRKVVBO-UHFFFAOYSA-N 1 2 330.859 3.787 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000361150052 1030076256 /nfs/dbraw/zinc/07/62/56/1030076256.db2.gz YKZUJTJBMPBCQO-UHFFFAOYSA-N 1 2 328.847 3.923 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000090450289 1030115742 /nfs/dbraw/zinc/11/57/42/1030115742.db2.gz MKMQBPCMFBRIHP-CHWSQXEVSA-N 1 2 328.366 3.957 20 0 EHADLO COCc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000531957522 1030135723 /nfs/dbraw/zinc/13/57/23/1030135723.db2.gz RVFWDVVUKIOXET-ZDUSSCGKSA-N 1 2 328.195 3.956 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)CCOc1ccccc1Cl ZINC000447376278 1030146450 /nfs/dbraw/zinc/14/64/50/1030146450.db2.gz SQINUYLFPISFCR-UHFFFAOYSA-N 1 2 339.844 3.699 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)CCOc1ccccc1Cl ZINC000447376278 1030146438 /nfs/dbraw/zinc/14/64/38/1030146438.db2.gz SQINUYLFPISFCR-UHFFFAOYSA-N 1 2 339.844 3.699 20 0 EHADLO Cc1cnc(N2CC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)CC2)s1 ZINC000482001120 1030156961 /nfs/dbraw/zinc/15/69/61/1030156961.db2.gz LUDGHXFDAOMGMJ-UHFFFAOYSA-N 1 2 340.496 3.872 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2ccccc2NC1=O ZINC000525834286 1030158883 /nfs/dbraw/zinc/15/88/83/1030158883.db2.gz UZDMKAPLLGRSEN-INIZCTEOSA-N 1 2 346.434 3.526 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)cn1 ZINC000453385216 1030165328 /nfs/dbraw/zinc/16/53/28/1030165328.db2.gz UFQXNUYYUPMUDS-NXEZZACHSA-N 1 2 341.228 3.611 20 0 EHADLO CCC1CCC(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000525995308 1030289429 /nfs/dbraw/zinc/28/94/29/1030289429.db2.gz DPBKSIPDOHWJPZ-GPANFISMSA-N 1 2 331.504 3.971 20 0 EHADLO CCC1CCC(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000525995308 1030289444 /nfs/dbraw/zinc/28/94/44/1030289444.db2.gz DPBKSIPDOHWJPZ-GPANFISMSA-N 1 2 331.504 3.971 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@H](C)c4nccs4)CC3)[nH]c2c1 ZINC000667994418 1030306421 /nfs/dbraw/zinc/30/64/21/1030306421.db2.gz FHXODKOSBJHQAY-OAHLLOKOSA-N 1 2 340.496 3.812 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)s1 ZINC000537636798 1030336656 /nfs/dbraw/zinc/33/66/56/1030336656.db2.gz WTSQWKFLVVJSES-YJBOKZPZSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)s1 ZINC000537636798 1030336662 /nfs/dbraw/zinc/33/66/62/1030336662.db2.gz WTSQWKFLVVJSES-YJBOKZPZSA-N 1 2 345.512 3.951 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457386 1030370803 /nfs/dbraw/zinc/37/08/03/1030370803.db2.gz FIRRJOGWIRTACY-GWCFXTLKSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457386 1030370818 /nfs/dbraw/zinc/37/08/18/1030370818.db2.gz FIRRJOGWIRTACY-GWCFXTLKSA-N 1 2 342.386 3.986 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Cl)c(F)c2)CCN1 ZINC000092076224 1030372915 /nfs/dbraw/zinc/37/29/15/1030372915.db2.gz LMFDQFNSKDEWOH-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)c(F)c2)CCN1 ZINC000092076224 1030372932 /nfs/dbraw/zinc/37/29/32/1030372932.db2.gz LMFDQFNSKDEWOH-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1cncn1Cc1ccccc1 ZINC000526082897 1030407434 /nfs/dbraw/zinc/40/74/34/1030407434.db2.gz ICJJNZFXQASILY-UHFFFAOYSA-N 1 2 341.480 3.642 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1cncn1Cc1ccccc1 ZINC000526082897 1030407444 /nfs/dbraw/zinc/40/74/44/1030407444.db2.gz ICJJNZFXQASILY-UHFFFAOYSA-N 1 2 341.480 3.642 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000668053257 1030453322 /nfs/dbraw/zinc/45/33/22/1030453322.db2.gz OVLMIRBNTCVVFA-LLVKDONJSA-N 1 2 343.315 3.849 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000668053257 1030453331 /nfs/dbraw/zinc/45/33/31/1030453331.db2.gz OVLMIRBNTCVVFA-LLVKDONJSA-N 1 2 343.315 3.849 20 0 EHADLO Clc1ccc(OCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000526295947 1030459363 /nfs/dbraw/zinc/45/93/63/1030459363.db2.gz CPJLMGANKXHXHR-QGZVFWFLSA-N 1 2 342.830 3.606 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)OCC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000785168568 1030461818 /nfs/dbraw/zinc/46/18/18/1030461818.db2.gz OFSBPLRBUUSAPO-JKSUJKDBSA-N 1 2 340.826 3.751 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)OCC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000785168568 1030461826 /nfs/dbraw/zinc/46/18/26/1030461826.db2.gz OFSBPLRBUUSAPO-JKSUJKDBSA-N 1 2 340.826 3.751 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000532198597 1030473875 /nfs/dbraw/zinc/47/38/75/1030473875.db2.gz DCLSMQITQIIXGD-IFXJQAMLSA-N 1 2 335.407 3.589 20 0 EHADLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000171032984 1030481962 /nfs/dbraw/zinc/48/19/62/1030481962.db2.gz YKEYFBDXLUNGCS-ZDUSSCGKSA-N 1 2 343.818 3.539 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000482510275 1030489019 /nfs/dbraw/zinc/48/90/19/1030489019.db2.gz OBNVLBPOQYGLKO-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000482510275 1030489020 /nfs/dbraw/zinc/48/90/20/1030489020.db2.gz OBNVLBPOQYGLKO-HNNXBMFYSA-N 1 2 335.341 3.768 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cccs3)C2)o1 ZINC000092593556 1030489262 /nfs/dbraw/zinc/48/92/62/1030489262.db2.gz CSOVBGRNXHKATL-OAHLLOKOSA-N 1 2 329.425 3.613 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cccs3)C2)o1 ZINC000092593556 1030489271 /nfs/dbraw/zinc/48/92/71/1030489271.db2.gz CSOVBGRNXHKATL-OAHLLOKOSA-N 1 2 329.425 3.613 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3cc(C(F)(F)F)nn3C)CC2)s1 ZINC000668065387 1030499580 /nfs/dbraw/zinc/49/95/80/1030499580.db2.gz HCXZKXPIVAAUTK-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO CC(C)c1cncc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000888237274 1030506842 /nfs/dbraw/zinc/50/68/42/1030506842.db2.gz ZALQVIHYOCJYKH-CYBMUJFWSA-N 1 2 326.322 3.534 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829377 1030518982 /nfs/dbraw/zinc/51/89/82/1030518982.db2.gz SJJZNIBEMWYGGK-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000447829377 1030518995 /nfs/dbraw/zinc/51/89/95/1030518995.db2.gz SJJZNIBEMWYGGK-HSMVNMDESA-N 1 2 330.255 3.762 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CCO2)n1 ZINC000092831667 1030528424 /nfs/dbraw/zinc/52/84/24/1030528424.db2.gz FSURTCYINJBBFK-SFHVURJKSA-N 1 2 337.448 3.779 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CCO2)n1 ZINC000092831667 1030528434 /nfs/dbraw/zinc/52/84/34/1030528434.db2.gz FSURTCYINJBBFK-SFHVURJKSA-N 1 2 337.448 3.779 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C(C)(F)F)c(C)c1 ZINC000343365435 1030531496 /nfs/dbraw/zinc/53/14/96/1030531496.db2.gz BLPDHLCKVSESEA-GOEBONIOSA-N 1 2 335.398 3.649 20 0 EHADLO COCC[N@@H+](Cc1csc(Br)c1)Cc1cncs1 ZINC000447844082 1030532486 /nfs/dbraw/zinc/53/24/86/1030532486.db2.gz KMJKDDLLOAELRJ-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO COCC[N@H+](Cc1csc(Br)c1)Cc1cncs1 ZINC000447844082 1030532491 /nfs/dbraw/zinc/53/24/91/1030532491.db2.gz KMJKDDLLOAELRJ-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000092917961 1030534692 /nfs/dbraw/zinc/53/46/92/1030534692.db2.gz VJESLQLGCIFGMA-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO C[C@@H]1CC[C@@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000526989849 1030549922 /nfs/dbraw/zinc/54/99/22/1030549922.db2.gz ZAAVCXHGUXRPPH-HZPDHXFCSA-N 1 2 344.503 3.545 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000093104333 1030561383 /nfs/dbraw/zinc/56/13/83/1030561383.db2.gz CZZSKUXUFQWWAQ-INIZCTEOSA-N 1 2 329.469 3.504 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000093104333 1030561384 /nfs/dbraw/zinc/56/13/84/1030561384.db2.gz CZZSKUXUFQWWAQ-INIZCTEOSA-N 1 2 329.469 3.504 20 0 EHADLO CC(C)c1ccsc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343374151 1030567830 /nfs/dbraw/zinc/56/78/30/1030567830.db2.gz PJDPHLMEPXSXFQ-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3sccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000532345258 1030571440 /nfs/dbraw/zinc/57/14/40/1030571440.db2.gz DHAJKRHELMPNEJ-RYUDHWBXSA-N 1 2 331.466 3.883 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193701371 1030602046 /nfs/dbraw/zinc/60/20/46/1030602046.db2.gz QOADZBTZJUHWIG-SFHVURJKSA-N 1 2 330.472 3.674 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CCO2)c1 ZINC000093457563 1030615708 /nfs/dbraw/zinc/61/57/08/1030615708.db2.gz KYBXVTFIDGCPGJ-LJQANCHMSA-N 1 2 327.355 3.851 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CCO2)c1 ZINC000093457563 1030615712 /nfs/dbraw/zinc/61/57/12/1030615712.db2.gz KYBXVTFIDGCPGJ-LJQANCHMSA-N 1 2 327.355 3.851 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)[C@H](C)CO1 ZINC000093595051 1030639653 /nfs/dbraw/zinc/63/96/53/1030639653.db2.gz SVCMJUTYNRRTTM-APWZRJJASA-N 1 2 327.472 3.909 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)[C@H](C)CO1 ZINC000093595051 1030639662 /nfs/dbraw/zinc/63/96/62/1030639662.db2.gz SVCMJUTYNRRTTM-APWZRJJASA-N 1 2 327.472 3.909 20 0 EHADLO Cc1[nH]ncc1C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000093612869 1030643614 /nfs/dbraw/zinc/64/36/14/1030643614.db2.gz FLIRUHTZMKBCRM-UHFFFAOYSA-N 1 2 334.261 3.644 20 0 EHADLO Cc1[nH]ncc1C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000093612869 1030643625 /nfs/dbraw/zinc/64/36/25/1030643625.db2.gz FLIRUHTZMKBCRM-UHFFFAOYSA-N 1 2 334.261 3.644 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000343403358 1030713983 /nfs/dbraw/zinc/71/39/83/1030713983.db2.gz NCWBJZQGPIGLLW-PXAZEXFGSA-N 1 2 333.407 3.856 20 0 EHADLO C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000550885958 1030763700 /nfs/dbraw/zinc/76/37/00/1030763700.db2.gz ACUXDJJQUCMHLV-FUHWJXTLSA-N 1 2 338.455 3.805 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000171644378 1030773099 /nfs/dbraw/zinc/77/30/99/1030773099.db2.gz RMOPPCXEAFWMNF-QGZVFWFLSA-N 1 2 340.471 3.513 20 0 EHADLO Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000130523776 1030778355 /nfs/dbraw/zinc/77/83/55/1030778355.db2.gz SYMNHSCEARNBRM-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000130523776 1030778368 /nfs/dbraw/zinc/77/83/68/1030778368.db2.gz SYMNHSCEARNBRM-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000537648673 1030799759 /nfs/dbraw/zinc/79/97/59/1030799759.db2.gz RWTWLLPWLNCAED-GOSISDBHSA-N 1 2 333.378 3.904 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000537648673 1030799775 /nfs/dbraw/zinc/79/97/75/1030799775.db2.gz RWTWLLPWLNCAED-GOSISDBHSA-N 1 2 333.378 3.904 20 0 EHADLO c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n(C2CCC2)n1 ZINC000923827538 1030881114 /nfs/dbraw/zinc/88/11/14/1030881114.db2.gz ZCLSPSUUINVIFA-UHFFFAOYSA-N 1 2 346.394 3.570 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000115557165 1030883440 /nfs/dbraw/zinc/88/34/40/1030883440.db2.gz ZOIZQMJSRFLCSM-ZDUSSCGKSA-N 1 2 333.407 3.937 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nc(-c3cccs3)no2)c(C)[nH+]1 ZINC000097040337 1030883985 /nfs/dbraw/zinc/88/39/85/1030883985.db2.gz UFGCWXIDYYTFGT-UHFFFAOYSA-N 1 2 342.424 3.690 20 0 EHADLO CCN(C(=O)C[NH+]1Cc2ccccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC000157827675 1030889172 /nfs/dbraw/zinc/88/91/72/1030889172.db2.gz JCTHLVAGUIXEKG-HNNXBMFYSA-N 1 2 326.415 3.751 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248448 1030901796 /nfs/dbraw/zinc/90/17/96/1030901796.db2.gz WGOMCICHXYMEFN-HOCLYGCPSA-N 1 2 345.512 3.984 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248448 1030901801 /nfs/dbraw/zinc/90/18/01/1030901801.db2.gz WGOMCICHXYMEFN-HOCLYGCPSA-N 1 2 345.512 3.984 20 0 EHADLO Cc1cc(C)c(NC(=O)CCCc2nc(C(C)(C)C)no2)c(C)[nH+]1 ZINC000097263032 1030907793 /nfs/dbraw/zinc/90/77/93/1030907793.db2.gz QCNMIHKRXALBJC-UHFFFAOYSA-N 1 2 330.432 3.649 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000537661613 1030916486 /nfs/dbraw/zinc/91/64/86/1030916486.db2.gz SORCNEASWRILPX-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000537661613 1030916499 /nfs/dbraw/zinc/91/64/99/1030916499.db2.gz SORCNEASWRILPX-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO O=C(NCc1ccccc1OCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172456945 1030947510 /nfs/dbraw/zinc/94/75/10/1030947510.db2.gz XOVBHFRXVJQKLZ-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1cccc(OC(F)(F)F)c1 ZINC000448356854 1030978042 /nfs/dbraw/zinc/97/80/42/1030978042.db2.gz WAWRWXOJHAWICG-UHFFFAOYSA-N 1 2 346.374 3.690 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1cccc(OC(F)(F)F)c1 ZINC000448356854 1030978054 /nfs/dbraw/zinc/97/80/54/1030978054.db2.gz WAWRWXOJHAWICG-UHFFFAOYSA-N 1 2 346.374 3.690 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000448359849 1030986215 /nfs/dbraw/zinc/98/62/15/1030986215.db2.gz PPAMMKYCTREYEZ-GXFFZTMASA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000448359849 1030986228 /nfs/dbraw/zinc/98/62/28/1030986228.db2.gz PPAMMKYCTREYEZ-GXFFZTMASA-N 1 2 336.423 3.576 20 0 EHADLO Cc1cc([C@H]([NH2+]CC(=O)N(C)C)c2ccccc2Cl)ccc1F ZINC000172923710 1031034578 /nfs/dbraw/zinc/03/45/78/1031034578.db2.gz HBLSDYQITNUKTR-SFHVURJKSA-N 1 2 334.822 3.555 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)n1 ZINC000527620549 1031043244 /nfs/dbraw/zinc/04/32/44/1031043244.db2.gz UKJAJKYBMPLUBT-UHFFFAOYSA-N 1 2 327.476 3.716 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)n1 ZINC000527620549 1031043226 /nfs/dbraw/zinc/04/32/26/1031043226.db2.gz UKJAJKYBMPLUBT-UHFFFAOYSA-N 1 2 327.476 3.716 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000527619750 1031044013 /nfs/dbraw/zinc/04/40/13/1031044013.db2.gz UWNCYIKIUHDUKE-UHFFFAOYSA-N 1 2 333.382 3.760 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000527619750 1031044022 /nfs/dbraw/zinc/04/40/22/1031044022.db2.gz UWNCYIKIUHDUKE-UHFFFAOYSA-N 1 2 333.382 3.760 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000527619229 1031044225 /nfs/dbraw/zinc/04/42/25/1031044225.db2.gz OVIMBTSEJAOPLD-UHFFFAOYSA-N 1 2 336.414 3.846 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000527619229 1031044243 /nfs/dbraw/zinc/04/42/43/1031044243.db2.gz OVIMBTSEJAOPLD-UHFFFAOYSA-N 1 2 336.414 3.846 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625708 1031054919 /nfs/dbraw/zinc/05/49/19/1031054919.db2.gz VWEHLGLOYAWAJA-PWSUYJOCSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625708 1031054938 /nfs/dbraw/zinc/05/49/38/1031054938.db2.gz VWEHLGLOYAWAJA-PWSUYJOCSA-N 1 2 328.225 3.514 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)c(OC)c1 ZINC000527640577 1031066932 /nfs/dbraw/zinc/06/69/32/1031066932.db2.gz GIHCCSMWUZUIQB-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC3(CCCC3)C1)C2 ZINC000476911808 1031066995 /nfs/dbraw/zinc/06/69/95/1031066995.db2.gz FGYCMJYPJLVJEA-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC3(CCCC3)C1)CC2 ZINC000476911808 1031067017 /nfs/dbraw/zinc/06/70/17/1031067017.db2.gz FGYCMJYPJLVJEA-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2ncc(Cl)cc2Br)s1 ZINC000527668651 1031099269 /nfs/dbraw/zinc/09/92/69/1031099269.db2.gz SITXCCXJMLMEOG-UHFFFAOYSA-N 1 2 346.681 3.861 20 0 EHADLO CCC(F)(F)C(C)(C)CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000527675898 1031109950 /nfs/dbraw/zinc/10/99/50/1031109950.db2.gz RIERSSGWXFWXPH-UHFFFAOYSA-N 1 2 341.446 3.774 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483362216 1031121832 /nfs/dbraw/zinc/12/18/32/1031121832.db2.gz XQBOPDRSVDWNNJ-UGSOOPFHSA-N 1 2 325.399 3.686 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483362216 1031121839 /nfs/dbraw/zinc/12/18/39/1031121839.db2.gz XQBOPDRSVDWNNJ-UGSOOPFHSA-N 1 2 325.399 3.686 20 0 EHADLO Cn1cc(-c2nc(CNc3c[nH+]ccc3OC(C)(C)C)cs2)cn1 ZINC000527688899 1031122136 /nfs/dbraw/zinc/12/21/36/1031122136.db2.gz YLWDXNOEUIHWPU-UHFFFAOYSA-N 1 2 343.456 3.728 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000455886425 1031145514 /nfs/dbraw/zinc/14/55/14/1031145514.db2.gz PVWADKNLSFDCKW-RAKWIPDMSA-N 1 2 349.478 3.930 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000116443566 1031162270 /nfs/dbraw/zinc/16/22/70/1031162270.db2.gz IUKUAAQICJLERZ-KRWDZBQOSA-N 1 2 333.435 3.991 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000116443569 1031162544 /nfs/dbraw/zinc/16/25/44/1031162544.db2.gz IUKUAAQICJLERZ-QGZVFWFLSA-N 1 2 333.435 3.991 20 0 EHADLO CCc1ccc([C@H]2CN(Cc3c[nH+]c4ccc(C)cn34)CCO2)cc1 ZINC000483433297 1031167501 /nfs/dbraw/zinc/16/75/01/1031167501.db2.gz AWIDLJROOVBUCS-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+](CC(=O)OC)C(C)C)cc1OC ZINC000508789171 1031192980 /nfs/dbraw/zinc/19/29/80/1031192980.db2.gz AHOGIMYFMJYTKP-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+](CC(=O)OC)C(C)C)cc1OC ZINC000508789171 1031192988 /nfs/dbraw/zinc/19/29/88/1031192988.db2.gz AHOGIMYFMJYTKP-UHFFFAOYSA-N 1 2 343.851 3.521 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cc(F)c(Br)cc1F ZINC000527752676 1031208174 /nfs/dbraw/zinc/20/81/74/1031208174.db2.gz NJEZUHOEAGNNRM-MRVPVSSYSA-N 1 2 346.171 3.663 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000483522379 1031209275 /nfs/dbraw/zinc/20/92/75/1031209275.db2.gz GCODCDIVOFQVLL-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000483522379 1031209289 /nfs/dbraw/zinc/20/92/89/1031209289.db2.gz GCODCDIVOFQVLL-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO COCc1ccc(C[NH2+]Cc2cc(F)c(Br)cc2F)o1 ZINC000527788680 1031225114 /nfs/dbraw/zinc/22/51/14/1031225114.db2.gz CGGNOXRJXXHIMC-UHFFFAOYSA-N 1 2 346.171 3.757 20 0 EHADLO COCc1ccc(C[NH2+]Cc2ccc(Br)c(F)c2F)o1 ZINC000527792064 1031231663 /nfs/dbraw/zinc/23/16/63/1031231663.db2.gz QXPRYAVKMJCCGC-UHFFFAOYSA-N 1 2 346.171 3.757 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000527778298 1031242644 /nfs/dbraw/zinc/24/26/44/1031242644.db2.gz ZBFPQXMIEBAJPI-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000483649388 1031259163 /nfs/dbraw/zinc/25/91/63/1031259163.db2.gz OOLRRIVFLWRAJU-IBGZPJMESA-N 1 2 347.842 3.888 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000483649388 1031259173 /nfs/dbraw/zinc/25/91/73/1031259173.db2.gz OOLRRIVFLWRAJU-IBGZPJMESA-N 1 2 347.842 3.888 20 0 EHADLO Cc1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)nn1C(C)C ZINC000583976397 1031276373 /nfs/dbraw/zinc/27/63/73/1031276373.db2.gz XJSKJOQMHDCNKF-UHFFFAOYSA-N 1 2 348.410 3.734 20 0 EHADLO Cc1cccc(NC[C@@H]2CCN(Cc3nc(C4CC4)cs3)C2)[nH+]1 ZINC000343530489 1031283959 /nfs/dbraw/zinc/28/39/59/1031283959.db2.gz NYVBMPSINIMKOF-AWEZNQCLSA-N 1 2 328.485 3.658 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000551401402 1031299929 /nfs/dbraw/zinc/29/99/29/1031299929.db2.gz DEILTRSIBYNWMS-GFCCVEGCSA-N 1 2 344.377 3.687 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000175394539 1031302148 /nfs/dbraw/zinc/30/21/48/1031302148.db2.gz NYDGRBGITADPHK-ZLOXQWCVSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000175394539 1031302160 /nfs/dbraw/zinc/30/21/60/1031302160.db2.gz NYDGRBGITADPHK-ZLOXQWCVSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(-c2ccccc2)n(C)n1 ZINC000527851945 1031326808 /nfs/dbraw/zinc/32/68/08/1031326808.db2.gz NNWPYXNJLJVCSY-AWEZNQCLSA-N 1 2 335.407 3.667 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(C)C)s1 ZINC000175514802 1031341837 /nfs/dbraw/zinc/34/18/37/1031341837.db2.gz FFYZEGONVUEOCR-OAHLLOKOSA-N 1 2 348.512 3.701 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(C)C)s1 ZINC000175514802 1031341846 /nfs/dbraw/zinc/34/18/46/1031341846.db2.gz FFYZEGONVUEOCR-OAHLLOKOSA-N 1 2 348.512 3.701 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)s1 ZINC000315357477 1031343999 /nfs/dbraw/zinc/34/39/99/1031343999.db2.gz PONVLZKUCCQUAQ-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000668269224 1031352284 /nfs/dbraw/zinc/35/22/84/1031352284.db2.gz GQIYACMRFLXPAV-SJLPKXTDSA-N 1 2 342.483 3.989 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175902488 1031364966 /nfs/dbraw/zinc/36/49/66/1031364966.db2.gz NWNVYJOVBQBGDW-DUXPYHPUSA-N 1 2 349.409 3.790 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1F ZINC000668283144 1031383413 /nfs/dbraw/zinc/38/34/13/1031383413.db2.gz JWSYTDBEGNNQFW-ZUZCIYMTSA-N 1 2 343.320 3.778 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000343560079 1031387427 /nfs/dbraw/zinc/38/74/27/1031387427.db2.gz WRIARILWYSJUGQ-UHFFFAOYSA-N 1 2 340.452 3.634 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1F ZINC000668283252 1031391280 /nfs/dbraw/zinc/39/12/80/1031391280.db2.gz LYIRVEDFCPGBEN-QFYYESIMSA-N 1 2 343.320 3.778 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635388459 1031398630 /nfs/dbraw/zinc/39/86/30/1031398630.db2.gz ZAKLKIWPWFBGCB-HFBAOOFYSA-N 1 2 329.831 3.919 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635388459 1031398647 /nfs/dbraw/zinc/39/86/47/1031398647.db2.gz ZAKLKIWPWFBGCB-HFBAOOFYSA-N 1 2 329.831 3.919 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000176780304 1031485657 /nfs/dbraw/zinc/48/56/57/1031485657.db2.gz MTHQTIJVAXCHFM-NVXWUHKLSA-N 1 2 329.469 3.666 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3cc(F)ccc3o2)c(OC)c1 ZINC000176939058 1031505945 /nfs/dbraw/zinc/50/59/45/1031505945.db2.gz ULXXDRLYHUHGPP-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3cc(F)ccc3o2)c(OC)c1 ZINC000176939058 1031505962 /nfs/dbraw/zinc/50/59/62/1031505962.db2.gz ULXXDRLYHUHGPP-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cncn1C)[C@@H](c1ccccc1)C2 ZINC000177461287 1031542118 /nfs/dbraw/zinc/54/21/18/1031542118.db2.gz ZYHDHJCPJPYGBF-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cncn1C)[C@@H](c1ccccc1)C2 ZINC000177461287 1031542125 /nfs/dbraw/zinc/54/21/25/1031542125.db2.gz ZYHDHJCPJPYGBF-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1nccn1C ZINC000527989373 1031549287 /nfs/dbraw/zinc/54/92/87/1031549287.db2.gz ZOLLRFBBBPMZMM-NSHDSACASA-N 1 2 344.203 3.702 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528035544 1031615898 /nfs/dbraw/zinc/61/58/98/1031615898.db2.gz YYTDHBYSKDRDGP-DLBZAZTESA-N 1 2 341.480 3.553 20 0 EHADLO CCO[C@@H](C)c1noc(CSCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177855228 1031629496 /nfs/dbraw/zinc/62/94/96/1031629496.db2.gz IXSTUOIEBRNUST-ZDUSSCGKSA-N 1 2 344.440 3.786 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1F ZINC000133619596 1031663648 /nfs/dbraw/zinc/66/36/48/1031663648.db2.gz CDSWPDNEJUOYRA-ZDUSSCGKSA-N 1 2 348.397 3.612 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000178497639 1031672880 /nfs/dbraw/zinc/67/28/80/1031672880.db2.gz QGOBYTCUBPFCGX-SFHVURJKSA-N 1 2 341.455 3.531 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000178497639 1031672886 /nfs/dbraw/zinc/67/28/86/1031672886.db2.gz QGOBYTCUBPFCGX-SFHVURJKSA-N 1 2 341.455 3.531 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178388678 1031692492 /nfs/dbraw/zinc/69/24/92/1031692492.db2.gz QYNSIRDIWWKSLR-UHFFFAOYSA-N 1 2 334.206 3.500 20 0 EHADLO CCC[C@H](OCC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528097193 1031699746 /nfs/dbraw/zinc/69/97/46/1031699746.db2.gz CYUGIPIRQWOYCV-INIZCTEOSA-N 1 2 326.400 3.859 20 0 EHADLO c1ccc(COC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000178570124 1031706932 /nfs/dbraw/zinc/70/69/32/1031706932.db2.gz HOQVHTVCVJOVNE-UHFFFAOYSA-N 1 2 341.455 3.908 20 0 EHADLO NC(=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000052796735 1031714083 /nfs/dbraw/zinc/71/40/83/1031714083.db2.gz DLHHQROMGBFYLH-UHFFFAOYSA-N 1 2 345.761 3.971 20 0 EHADLO CCSCCCc1noc([C@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904112440 1031738084 /nfs/dbraw/zinc/73/80/84/1031738084.db2.gz HMLCTSNKDZTCLX-CYBMUJFWSA-N 1 2 345.390 3.822 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000179391762 1031746607 /nfs/dbraw/zinc/74/66/07/1031746607.db2.gz GOCUPROANLGLIJ-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H]1C1CC1 ZINC000528136469 1031762232 /nfs/dbraw/zinc/76/22/32/1031762232.db2.gz BIQXZUMUVFELMM-NOXHYTERSA-N 1 2 333.501 3.606 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H]1C1CC1 ZINC000528136469 1031762236 /nfs/dbraw/zinc/76/22/36/1031762236.db2.gz BIQXZUMUVFELMM-NOXHYTERSA-N 1 2 333.501 3.606 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1OC ZINC000179459416 1031776864 /nfs/dbraw/zinc/77/68/64/1031776864.db2.gz CGGAQVIMSUHMCE-KRWDZBQOSA-N 1 2 349.471 3.538 20 0 EHADLO CCOCc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1OC ZINC000179459416 1031776882 /nfs/dbraw/zinc/77/68/82/1031776882.db2.gz CGGAQVIMSUHMCE-KRWDZBQOSA-N 1 2 349.471 3.538 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(CC1CC1)C1CCCCC1 ZINC000635492370 1031782506 /nfs/dbraw/zinc/78/25/06/1031782506.db2.gz ZHQZUVLQCUACHK-HNNXBMFYSA-N 1 2 343.393 3.948 20 0 EHADLO CCO[C@H](c1noc([C@H](c2ccccc2)[NH+](C)C)n1)C1CCCC1 ZINC000904142892 1031790079 /nfs/dbraw/zinc/79/00/79/1031790079.db2.gz GBEQCLKKFLUVKV-IRXDYDNUSA-N 1 2 329.444 3.988 20 0 EHADLO Cc1scc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1C ZINC000179696868 1031801657 /nfs/dbraw/zinc/80/16/57/1031801657.db2.gz CFTWFXVLHQPONM-UHFFFAOYSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000080657714 1031812282 /nfs/dbraw/zinc/81/22/82/1031812282.db2.gz RYJRDTJAVLKVAP-NSHDSACASA-N 1 2 328.890 3.782 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000080657714 1031812302 /nfs/dbraw/zinc/81/23/02/1031812302.db2.gz RYJRDTJAVLKVAP-NSHDSACASA-N 1 2 328.890 3.782 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086233594 1031814041 /nfs/dbraw/zinc/81/40/41/1031814041.db2.gz MZNVMQGVFQTTCR-OLZOCXBDSA-N 1 2 344.377 3.606 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086233594 1031814049 /nfs/dbraw/zinc/81/40/49/1031814049.db2.gz MZNVMQGVFQTTCR-OLZOCXBDSA-N 1 2 344.377 3.606 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000477741162 1031819690 /nfs/dbraw/zinc/81/96/90/1031819690.db2.gz LRWJBPJJHGKYSH-HNNXBMFYSA-N 1 2 343.496 3.946 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180463151 1031858180 /nfs/dbraw/zinc/85/81/80/1031858180.db2.gz WYQFVBCOUYADSV-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180463151 1031858194 /nfs/dbraw/zinc/85/81/94/1031858194.db2.gz WYQFVBCOUYADSV-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CCCCC(=O)c2ccccc2)n1 ZINC000904268236 1031895749 /nfs/dbraw/zinc/89/57/49/1031895749.db2.gz FRUUIFPZSZGCPE-UHFFFAOYSA-N 1 2 336.395 3.618 20 0 EHADLO CC(=O)CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000162079103 1031900915 /nfs/dbraw/zinc/90/09/15/1031900915.db2.gz WCJRZFJVUDEQQE-UHFFFAOYSA-N 1 2 331.391 3.880 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C2CCC(C(F)(F)F)CC2)n1 ZINC000904261765 1031908136 /nfs/dbraw/zinc/90/81/36/1031908136.db2.gz MVJNBUZWEZYLKR-UHFFFAOYSA-N 1 2 326.322 3.858 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000180840870 1031913921 /nfs/dbraw/zinc/91/39/21/1031913921.db2.gz LVVLFMBBCFMNLB-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000180840870 1031913932 /nfs/dbraw/zinc/91/39/32/1031913932.db2.gz LVVLFMBBCFMNLB-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO CCOCc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278675710 1031953261 /nfs/dbraw/zinc/95/32/61/1031953261.db2.gz OQGLJPWHZZRCDV-UHFFFAOYSA-N 1 2 330.375 3.988 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484801089 1031970392 /nfs/dbraw/zinc/97/03/92/1031970392.db2.gz YBVHRELJWZDITC-UHFFFAOYSA-N 1 2 344.421 3.993 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484801089 1031970396 /nfs/dbraw/zinc/97/03/96/1031970396.db2.gz YBVHRELJWZDITC-UHFFFAOYSA-N 1 2 344.421 3.993 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000278690737 1032019009 /nfs/dbraw/zinc/01/90/09/1032019009.db2.gz SFLCRJPIRAAIOU-CQSZACIVSA-N 1 2 339.443 3.746 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000278690737 1032019024 /nfs/dbraw/zinc/01/90/24/1032019024.db2.gz SFLCRJPIRAAIOU-CQSZACIVSA-N 1 2 339.443 3.746 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)n1 ZINC000449014025 1032023446 /nfs/dbraw/zinc/02/34/46/1032023446.db2.gz GNLHZXSAOOFLGA-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)n1 ZINC000449014025 1032023462 /nfs/dbraw/zinc/02/34/62/1032023462.db2.gz GNLHZXSAOOFLGA-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3c(n1)CCC3)[C@@H]2c1ccccc1 ZINC000584277141 1032044874 /nfs/dbraw/zinc/04/48/74/1032044874.db2.gz BGCKYAROWZHEMD-JOCHJYFZSA-N 1 2 329.447 3.977 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3c(n1)CCC3)[C@@H]2c1ccccc1 ZINC000584277141 1032044881 /nfs/dbraw/zinc/04/48/81/1032044881.db2.gz BGCKYAROWZHEMD-JOCHJYFZSA-N 1 2 329.447 3.977 20 0 EHADLO CCn1nnc(C)c1C[NH+](Cc1cccs1)Cc1cccs1 ZINC000449006021 1032045705 /nfs/dbraw/zinc/04/57/05/1032045705.db2.gz CGBPOJOFDQLOGS-UHFFFAOYSA-N 1 2 332.498 3.932 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CC[C@@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054881 1033309407 /nfs/dbraw/zinc/30/94/07/1033309407.db2.gz KMJOFKSJISWGMM-OCCSQVGLSA-N 1 2 344.352 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CC[C@@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054881 1033309423 /nfs/dbraw/zinc/30/94/23/1033309423.db2.gz KMJOFKSJISWGMM-OCCSQVGLSA-N 1 2 344.352 3.514 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057384 1033311686 /nfs/dbraw/zinc/31/16/86/1033311686.db2.gz QNFZZASSRQBHBE-BXUZGUMPSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057384 1033311698 /nfs/dbraw/zinc/31/16/98/1033311698.db2.gz QNFZZASSRQBHBE-BXUZGUMPSA-N 1 2 346.780 3.720 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426519 1033318716 /nfs/dbraw/zinc/31/87/16/1033318716.db2.gz VQHFOPCJLDDOIX-DGCLKSJQSA-N 1 2 347.377 3.528 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426519 1033318731 /nfs/dbraw/zinc/31/87/31/1033318731.db2.gz VQHFOPCJLDDOIX-DGCLKSJQSA-N 1 2 347.377 3.528 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000598594550 1033319343 /nfs/dbraw/zinc/31/93/43/1033319343.db2.gz ASIQMPCHIDXTQF-HXUWFJFHSA-N 1 2 338.451 3.529 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccnc(C)c1)C1CC1 ZINC000598594550 1033319355 /nfs/dbraw/zinc/31/93/55/1033319355.db2.gz ASIQMPCHIDXTQF-HXUWFJFHSA-N 1 2 338.451 3.529 20 0 EHADLO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1cscn1 ZINC000574622775 1033324881 /nfs/dbraw/zinc/32/48/81/1033324881.db2.gz PSSGQODVFVXKPD-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@]1=O ZINC000574636481 1033329502 /nfs/dbraw/zinc/32/95/02/1033329502.db2.gz ZQKVTJHQARXDKQ-OYLFLEFRSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@]1=O ZINC000574636481 1033329509 /nfs/dbraw/zinc/32/95/09/1033329509.db2.gz ZQKVTJHQARXDKQ-OYLFLEFRSA-N 1 2 347.455 3.961 20 0 EHADLO CC(C)(C)OC(=O)N=c1[nH]c(C[NH2+][C@H]2CCc3cccnc32)cs1 ZINC000898103753 1033349584 /nfs/dbraw/zinc/34/95/84/1033349584.db2.gz LPKKERCMJQNVOZ-ZDUSSCGKSA-N 1 2 346.456 3.662 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000528315925 1033388715 /nfs/dbraw/zinc/38/87/15/1033388715.db2.gz PFJNFOCHRAGRME-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO COCc1cc(C[NH2+][C@@H](C)c2cc3ccccc3c(OC)c2)no1 ZINC000898241857 1033395928 /nfs/dbraw/zinc/39/59/28/1033395928.db2.gz NEOLHWXBISJTDT-ZDUSSCGKSA-N 1 2 326.396 3.834 20 0 EHADLO CC[C@](C)([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc(C)cs1 ZINC000136461999 1033409091 /nfs/dbraw/zinc/40/90/91/1033409091.db2.gz ABHMDIBGEXQODJ-KRWDZBQOSA-N 1 2 336.432 3.792 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)c[nH+]1 ZINC000898275405 1033422051 /nfs/dbraw/zinc/42/20/51/1033422051.db2.gz RNPJUVTVLNSPMP-CYBMUJFWSA-N 1 2 345.874 3.768 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001168287760 1033496968 /nfs/dbraw/zinc/49/69/68/1033496968.db2.gz MNJLOEQMXDECON-LJQANCHMSA-N 1 2 345.446 3.542 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001168287760 1033496976 /nfs/dbraw/zinc/49/69/76/1033496976.db2.gz MNJLOEQMXDECON-LJQANCHMSA-N 1 2 345.446 3.542 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc2[nH+]ccn21 ZINC000460332625 1033499411 /nfs/dbraw/zinc/49/94/11/1033499411.db2.gz DLSDIOHJCHKHOO-OWCLPIDISA-N 1 2 329.444 3.750 20 0 EHADLO CCCCCC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000173766650 1033508275 /nfs/dbraw/zinc/50/82/75/1033508275.db2.gz QVSOQRWFLGUWSM-MSOLQXFVSA-N 1 2 331.504 3.893 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120204248 1033511654 /nfs/dbraw/zinc/51/16/54/1033511654.db2.gz SAUOAQWEAUJYQL-OAHLLOKOSA-N 1 2 337.423 3.570 20 0 EHADLO CSCc1cc(F)ccc1C[NH2+]Cc1nnc(C(C)C)s1 ZINC000892402996 1033520564 /nfs/dbraw/zinc/52/05/64/1033520564.db2.gz XABYOYFNPLOPAK-UHFFFAOYSA-N 1 2 325.478 3.953 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000449986638 1033553221 /nfs/dbraw/zinc/55/32/21/1033553221.db2.gz BNERSNKFMIJFKI-DLBZAZTESA-N 1 2 325.456 3.747 20 0 EHADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000685609132 1033614254 /nfs/dbraw/zinc/61/42/54/1033614254.db2.gz AOIMDECKWWMNMH-IOASZLSFSA-N 1 2 338.854 3.778 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccsc2C(F)(F)F)c1 ZINC000598979410 1033625359 /nfs/dbraw/zinc/62/53/59/1033625359.db2.gz ZMGIUUJTROTYQR-UHFFFAOYSA-N 1 2 348.415 4.000 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978259 1033626242 /nfs/dbraw/zinc/62/62/42/1033626242.db2.gz LDPUNXADZJGAGW-GFCCVEGCSA-N 1 2 335.473 3.771 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000595030473 1033653500 /nfs/dbraw/zinc/65/35/00/1033653500.db2.gz ZRJIOBYONKABEM-ZDUSSCGKSA-N 1 2 333.407 3.791 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635652627 1033668394 /nfs/dbraw/zinc/66/83/94/1033668394.db2.gz QWIUYDYYUYOGLD-INIZCTEOSA-N 1 2 331.464 3.804 20 0 EHADLO C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000608433716 1033686259 /nfs/dbraw/zinc/68/62/59/1033686259.db2.gz FWRUWEFDFXUHLD-MAUKXSAKSA-N 1 2 340.471 3.582 20 0 EHADLO CCc1cnc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000608491869 1033725652 /nfs/dbraw/zinc/72/56/52/1033725652.db2.gz FSLXFFLJZAKJJZ-AWEZNQCLSA-N 1 2 333.863 3.769 20 0 EHADLO Fc1cc(-c2ccco2)ccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655769106 1033743509 /nfs/dbraw/zinc/74/35/09/1033743509.db2.gz VLVOYPJEJSUSGT-UHFFFAOYSA-N 1 2 325.387 3.908 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[C@H]1C1CC1)C2 ZINC000574971042 1033746262 /nfs/dbraw/zinc/74/62/62/1033746262.db2.gz AINUOLFCQXYVLN-OAGGEKHMSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[C@H]1C1CC1)CC2 ZINC000574971042 1033746277 /nfs/dbraw/zinc/74/62/77/1033746277.db2.gz AINUOLFCQXYVLN-OAGGEKHMSA-N 1 2 329.488 3.581 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315976 1033747385 /nfs/dbraw/zinc/74/73/85/1033747385.db2.gz KHAYMABFVWXTJL-XLIONFOSSA-N 1 2 347.462 3.699 20 0 EHADLO O=C([C@@H]1CCC[C@H]1c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450110469 1033756639 /nfs/dbraw/zinc/75/66/39/1033756639.db2.gz FGYIIWKENIEEIA-HSALFYBXSA-N 1 2 336.435 3.645 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000158199980 1033770260 /nfs/dbraw/zinc/77/02/60/1033770260.db2.gz RSOOQBFSOQUCKL-LDCOFTPGSA-N 1 2 335.275 3.638 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000158199980 1033770280 /nfs/dbraw/zinc/77/02/80/1033770280.db2.gz RSOOQBFSOQUCKL-LDCOFTPGSA-N 1 2 335.275 3.638 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)s2)c2nnc[nH]2)cc1 ZINC000550628704 1033775541 /nfs/dbraw/zinc/77/55/41/1033775541.db2.gz LUOMMCAEFVMXFN-AWEZNQCLSA-N 1 2 336.823 3.580 20 0 EHADLO CCc1nc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000533922141 1033776447 /nfs/dbraw/zinc/77/64/47/1033776447.db2.gz HHLLHTIKKQNREW-ZDUSSCGKSA-N 1 2 330.375 3.548 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603580855 1033777519 /nfs/dbraw/zinc/77/75/19/1033777519.db2.gz SRMBGALUJJBUIO-KRWDZBQOSA-N 1 2 340.427 3.541 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608616545 1033782311 /nfs/dbraw/zinc/78/23/11/1033782311.db2.gz WORVQPMNRQQLTF-AEFFLSMTSA-N 1 2 342.487 3.828 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608616546 1033782646 /nfs/dbraw/zinc/78/26/46/1033782646.db2.gz WORVQPMNRQQLTF-FUHWJXTLSA-N 1 2 342.487 3.828 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cc(-c4ccccc4)on3)c(C)n2n1 ZINC000093404198 1033799203 /nfs/dbraw/zinc/79/92/03/1033799203.db2.gz SJOHZYOPJVPRMH-CQSZACIVSA-N 1 2 347.422 3.852 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608656855 1033819886 /nfs/dbraw/zinc/81/98/86/1033819886.db2.gz GSKXERAWSKPCPC-QFBILLFUSA-N 1 2 329.488 3.612 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450158338 1033823712 /nfs/dbraw/zinc/82/37/12/1033823712.db2.gz JKKNGRGAFHHUOC-GDBMZVCRSA-N 1 2 349.837 3.718 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc2ccncc2s1 ZINC000658035404 1033868043 /nfs/dbraw/zinc/86/80/43/1033868043.db2.gz QSKCQBJJELLDBA-SECBINFHSA-N 1 2 338.358 3.956 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2sccc2Cl)C1 ZINC000595621979 1033905306 /nfs/dbraw/zinc/90/53/06/1033905306.db2.gz SRSZAXUGRWJRPN-BDAKNGLRSA-N 1 2 341.782 3.575 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2sccc2Cl)C1 ZINC000595621979 1033905319 /nfs/dbraw/zinc/90/53/19/1033905319.db2.gz SRSZAXUGRWJRPN-BDAKNGLRSA-N 1 2 341.782 3.575 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(C(F)(F)F)c1 ZINC000046945053 1033910312 /nfs/dbraw/zinc/91/03/12/1033910312.db2.gz XYXZSQUTLCOLHF-UHFFFAOYSA-N 1 2 338.333 3.724 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120526187 1033913298 /nfs/dbraw/zinc/91/32/98/1033913298.db2.gz KSFDJOLZQKEHBA-SFHVURJKSA-N 1 2 344.842 3.738 20 0 EHADLO Cc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C)c1 ZINC000612014239 1033915330 /nfs/dbraw/zinc/91/53/30/1033915330.db2.gz IMDYGVJAMPLJQM-NUJGCVRESA-N 1 2 325.456 3.736 20 0 EHADLO CCCOc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1OCC ZINC000603785728 1033920640 /nfs/dbraw/zinc/92/06/40/1033920640.db2.gz XUMYBXHVNVIGLD-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000450216833 1033921066 /nfs/dbraw/zinc/92/10/66/1033921066.db2.gz OGELLONKWWSQHF-CQSZACIVSA-N 1 2 335.444 3.812 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000450216833 1033921079 /nfs/dbraw/zinc/92/10/79/1033921079.db2.gz OGELLONKWWSQHF-CQSZACIVSA-N 1 2 335.444 3.812 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808887 1033940184 /nfs/dbraw/zinc/94/01/84/1033940184.db2.gz LXNRFDQGBMNNOT-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000612054082 1033941264 /nfs/dbraw/zinc/94/12/64/1033941264.db2.gz ODNKTCFVQCGJHO-NUJGCVRESA-N 1 2 325.456 3.736 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CN1c3cccc4cccc(c34)C1=O)CC2 ZINC000064028697 1033960337 /nfs/dbraw/zinc/96/03/37/1033960337.db2.gz KWXRWPSARUMXOH-UHFFFAOYSA-N 1 2 344.414 3.824 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CN1c3cccc4cccc(c34)C1=O)CC2 ZINC000064028697 1033960349 /nfs/dbraw/zinc/96/03/49/1033960349.db2.gz KWXRWPSARUMXOH-UHFFFAOYSA-N 1 2 344.414 3.824 20 0 EHADLO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc2n(n1)CCCC2 ZINC000658123152 1033980122 /nfs/dbraw/zinc/98/01/22/1033980122.db2.gz IKRBXGYJOYCQQB-BLLLJJGKSA-N 1 2 345.409 3.760 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cs1 ZINC000603872784 1033997149 /nfs/dbraw/zinc/99/71/49/1033997149.db2.gz MPJXGTNCOYDEKL-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cs1 ZINC000603872784 1033997159 /nfs/dbraw/zinc/99/71/59/1033997159.db2.gz MPJXGTNCOYDEKL-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH+]2CCC([C@H]3CCCCO3)CC2)n1 ZINC000595791166 1034001384 /nfs/dbraw/zinc/00/13/84/1034001384.db2.gz ZXZGTEALWCNJSP-DZGCQCFKSA-N 1 2 339.505 3.665 20 0 EHADLO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883656 1034006268 /nfs/dbraw/zinc/00/62/68/1034006268.db2.gz AEQVTEMZRWPCKU-LLVKDONJSA-N 1 2 349.312 3.759 20 0 EHADLO COc1cccc(C2(C(=O)Nc3ccc4[nH+]ccn4c3)CCCC2)c1 ZINC000603884355 1034009143 /nfs/dbraw/zinc/00/91/43/1034009143.db2.gz UMSZFYJAEUCHII-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450279976 1034042727 /nfs/dbraw/zinc/04/27/27/1034042727.db2.gz VYTRKTGQWKILCZ-HNNXBMFYSA-N 1 2 327.325 3.922 20 0 EHADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450279976 1034042742 /nfs/dbraw/zinc/04/27/42/1034042742.db2.gz VYTRKTGQWKILCZ-HNNXBMFYSA-N 1 2 327.325 3.922 20 0 EHADLO C[C@@H]1CCCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869622 1034050702 /nfs/dbraw/zinc/05/07/02/1034050702.db2.gz WZKBWSZTLMISKG-SJLPKXTDSA-N 1 2 340.471 3.678 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccccc2OC(F)F)c1 ZINC000596074854 1034070610 /nfs/dbraw/zinc/07/06/10/1034070610.db2.gz ICODGQDJOBWKPE-LLVKDONJSA-N 1 2 336.338 3.572 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc(C)[nH+]1 ZINC000529496899 1034074370 /nfs/dbraw/zinc/07/43/70/1034074370.db2.gz LHMRHCOXFSIWLL-BPQIPLTHSA-N 1 2 326.827 3.554 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(OC)c1F)CCS2 ZINC000658223894 1034080149 /nfs/dbraw/zinc/08/01/49/1034080149.db2.gz MLZNLWOCMULFBO-ZDUSSCGKSA-N 1 2 334.416 3.565 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000596155597 1034080817 /nfs/dbraw/zinc/08/08/17/1034080817.db2.gz UODXPMNTBFRGME-OLZOCXBDSA-N 1 2 330.350 3.578 20 0 EHADLO C[C@@H]1CC=C(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000456070194 1034089581 /nfs/dbraw/zinc/08/95/81/1034089581.db2.gz PVKNITJBKUSJOR-NVXWUHKLSA-N 1 2 327.472 3.672 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000450329664 1034111113 /nfs/dbraw/zinc/11/11/13/1034111113.db2.gz GUDRVUXBZCTIIH-GFCCVEGCSA-N 1 2 345.447 3.693 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000450329664 1034111128 /nfs/dbraw/zinc/11/11/28/1034111128.db2.gz GUDRVUXBZCTIIH-GFCCVEGCSA-N 1 2 345.447 3.693 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2cc(-c3cccs3)on2)[C@H](C)C1 ZINC000599706567 1034131709 /nfs/dbraw/zinc/13/17/09/1034131709.db2.gz MAKPISHSCBQBNE-VXGBXAGGSA-N 1 2 334.441 3.565 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C12CCC2 ZINC000658252265 1034133581 /nfs/dbraw/zinc/13/35/81/1034133581.db2.gz IMHALSULWFRHHB-ZACQAIPSSA-N 1 2 340.471 3.610 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000456150560 1034142348 /nfs/dbraw/zinc/14/23/48/1034142348.db2.gz UIPFNHFUQNULJR-UHFFFAOYSA-N 1 2 339.483 3.964 20 0 EHADLO COc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1F ZINC000669706945 1034142771 /nfs/dbraw/zinc/14/27/71/1034142771.db2.gz CQWSOUJPJIGHBD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO COc1cccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1F ZINC000669706945 1034142781 /nfs/dbraw/zinc/14/27/81/1034142781.db2.gz CQWSOUJPJIGHBD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000450340896 1034148195 /nfs/dbraw/zinc/14/81/95/1034148195.db2.gz XUNFIADOOAIDSS-ZDUSSCGKSA-N 1 2 328.441 3.819 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000450340896 1034148206 /nfs/dbraw/zinc/14/82/06/1034148206.db2.gz XUNFIADOOAIDSS-ZDUSSCGKSA-N 1 2 328.441 3.819 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)C[C@@H]1C ZINC001231601793 1034150728 /nfs/dbraw/zinc/15/07/28/1034150728.db2.gz KEBONEZKHTYILI-KWQFWETISA-N 1 2 336.646 3.888 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)C[C@@H]1C ZINC001231601793 1034150736 /nfs/dbraw/zinc/15/07/36/1034150736.db2.gz KEBONEZKHTYILI-KWQFWETISA-N 1 2 336.646 3.888 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120817380 1034174758 /nfs/dbraw/zinc/17/47/58/1034174758.db2.gz CBKGIPIKNUMTPW-UHFFFAOYSA-N 1 2 349.434 3.939 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cn(C)nn2)[C@H]2CCc3ccccc32)cc1 ZINC000534137275 1034182348 /nfs/dbraw/zinc/18/23/48/1034182348.db2.gz IBMGVEODKNVHIL-NRFANRHFSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cn(C)nn2)[C@H]2CCc3ccccc32)cc1 ZINC000534137275 1034182354 /nfs/dbraw/zinc/18/23/54/1034182354.db2.gz IBMGVEODKNVHIL-NRFANRHFSA-N 1 2 332.451 3.813 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)c1C ZINC000658353601 1034235136 /nfs/dbraw/zinc/23/51/36/1034235136.db2.gz NRQKLFOYUXIIGQ-IBGZPJMESA-N 1 2 339.414 3.755 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000658359649 1034239936 /nfs/dbraw/zinc/23/99/36/1034239936.db2.gz HHALXOPZPVRHIQ-OPQQBVKSSA-N 1 2 341.274 3.678 20 0 EHADLO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861939 1034288166 /nfs/dbraw/zinc/28/81/66/1034288166.db2.gz XZMPXMUUGSGNQV-SJORKVTESA-N 1 2 329.831 3.504 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCc2ccccc2CC1 ZINC000456305563 1034298628 /nfs/dbraw/zinc/29/86/28/1034298628.db2.gz BZJPCZRBJRAPOR-UHFFFAOYSA-N 1 2 345.446 3.563 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)cs1 ZINC000450444007 1034310829 /nfs/dbraw/zinc/31/08/29/1034310829.db2.gz XSIBGYLLPKYUSD-IIDMSEBBSA-N 1 2 348.512 3.837 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)cs1 ZINC000450444007 1034310838 /nfs/dbraw/zinc/31/08/38/1034310838.db2.gz XSIBGYLLPKYUSD-IIDMSEBBSA-N 1 2 348.512 3.837 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299320 1034355929 /nfs/dbraw/zinc/35/59/29/1034355929.db2.gz AGIGUMOEDVNLQQ-UHFFFAOYSA-N 1 2 341.411 3.944 20 0 EHADLO Cc1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c(C)c[nH+]1 ZINC000534300322 1034358790 /nfs/dbraw/zinc/35/87/90/1034358790.db2.gz YWMKUIYURZEFIG-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO CC(C)C[C@H](C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C)n1cc[nH+]c1 ZINC000635783898 1034360074 /nfs/dbraw/zinc/36/00/74/1034360074.db2.gz MLFABDMNAFSNFK-BFHYXJOUSA-N 1 2 331.382 3.660 20 0 EHADLO COC(=O)[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@H]1C ZINC000450478114 1034397166 /nfs/dbraw/zinc/39/71/66/1034397166.db2.gz ZLFARFTXFVQOEJ-MNOVXSKESA-N 1 2 336.794 3.663 20 0 EHADLO CC[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1OC(F)F ZINC000534323546 1034399029 /nfs/dbraw/zinc/39/90/29/1034399029.db2.gz WAVGEFNROXZAGA-CQSZACIVSA-N 1 2 349.381 3.995 20 0 EHADLO COc1ccc2cc(CNC(=O)Nc3cc(C)[nH+]cc3C)ccc2c1 ZINC000534324372 1034399253 /nfs/dbraw/zinc/39/92/53/1034399253.db2.gz TXCRQNYLPHZHGX-UHFFFAOYSA-N 1 2 335.407 3.604 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)c(C)c[nH+]1 ZINC000534325340 1034399642 /nfs/dbraw/zinc/39/96/42/1034399642.db2.gz BKIJKHPYSHRMDF-SFHVURJKSA-N 1 2 327.403 3.841 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000534324292 1034399841 /nfs/dbraw/zinc/39/98/41/1034399841.db2.gz HIYZANZIQNNMCM-UHFFFAOYSA-N 1 2 337.345 3.803 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C(F)(F)F)nc3C)[nH+]c12 ZINC000548895409 1034413390 /nfs/dbraw/zinc/41/33/90/1034413390.db2.gz RXBIMGAWIVZFNV-UHFFFAOYSA-N 1 2 348.328 3.546 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](Cc3ccccn3)C(C)C)cc12 ZINC000749904380 1034455985 /nfs/dbraw/zinc/45/59/85/1034455985.db2.gz BZOQQZJJCYINSS-UHFFFAOYSA-N 1 2 343.862 3.736 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](Cc3ccccn3)C(C)C)cc12 ZINC000749904380 1034455997 /nfs/dbraw/zinc/45/59/97/1034455997.db2.gz BZOQQZJJCYINSS-UHFFFAOYSA-N 1 2 343.862 3.736 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121139535 1034470803 /nfs/dbraw/zinc/47/08/03/1034470803.db2.gz KKOITPSRLNGCSZ-AEFFLSMTSA-N 1 2 342.464 3.632 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393576 1034471221 /nfs/dbraw/zinc/47/12/21/1034471221.db2.gz SOUZHSRGLFQXRR-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393576 1034471231 /nfs/dbraw/zinc/47/12/31/1034471231.db2.gz SOUZHSRGLFQXRR-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CCSCC[C@@H](C)[N@H+](C)Cc1c(F)cncc1Br ZINC000597027350 1034502801 /nfs/dbraw/zinc/50/28/01/1034502801.db2.gz PNYIUOAKGRCOCL-SNVBAGLBSA-N 1 2 335.286 3.947 20 0 EHADLO CCSCC[C@@H](C)[N@@H+](C)Cc1c(F)cncc1Br ZINC000597027350 1034502806 /nfs/dbraw/zinc/50/28/06/1034502806.db2.gz PNYIUOAKGRCOCL-SNVBAGLBSA-N 1 2 335.286 3.947 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000604803650 1034510749 /nfs/dbraw/zinc/51/07/49/1034510749.db2.gz QZVPCCZNZAHGBI-HNNXBMFYSA-N 1 2 342.443 3.805 20 0 EHADLO COc1cc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)ccc1Cl ZINC000623490778 1034523018 /nfs/dbraw/zinc/52/30/18/1034523018.db2.gz WTZUCOLGOJLZLR-CYBMUJFWSA-N 1 2 325.742 3.850 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000604849585 1034523608 /nfs/dbraw/zinc/52/36/08/1034523608.db2.gz VTPLRVWGBAQRQR-QGZVFWFLSA-N 1 2 339.464 3.825 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(C)CC1 ZINC000023752114 1034534007 /nfs/dbraw/zinc/53/40/07/1034534007.db2.gz UMYIBYFYSZFFGX-CHWSQXEVSA-N 1 2 345.512 3.902 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(C)CC1 ZINC000023752110 1034535231 /nfs/dbraw/zinc/53/52/31/1034535231.db2.gz UMYIBYFYSZFFGX-OLZOCXBDSA-N 1 2 345.512 3.902 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000450623729 1034576535 /nfs/dbraw/zinc/57/65/35/1034576535.db2.gz NHKZUUQOBFQBSA-CQSZACIVSA-N 1 2 337.876 3.968 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000450623729 1034576542 /nfs/dbraw/zinc/57/65/42/1034576542.db2.gz NHKZUUQOBFQBSA-CQSZACIVSA-N 1 2 337.876 3.968 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171726305 1034592088 /nfs/dbraw/zinc/59/20/88/1034592088.db2.gz VPQFAHZFGSPQIG-INIZCTEOSA-N 1 2 346.434 3.701 20 0 EHADLO Cc1nc(CN2CCC[N@@H+]([C@@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814088 1034607122 /nfs/dbraw/zinc/60/71/22/1034607122.db2.gz MFENUTZDFUBJHQ-AWEZNQCLSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(CN2CCC[N@H+]([C@@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814088 1034607126 /nfs/dbraw/zinc/60/71/26/1034607126.db2.gz MFENUTZDFUBJHQ-AWEZNQCLSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(C[N@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814088 1034607132 /nfs/dbraw/zinc/60/71/32/1034607132.db2.gz MFENUTZDFUBJHQ-AWEZNQCLSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814088 1034607140 /nfs/dbraw/zinc/60/71/40/1034607140.db2.gz MFENUTZDFUBJHQ-AWEZNQCLSA-N 1 2 349.425 3.839 20 0 EHADLO Fc1ccccc1COc1ccc[nH+]c1NCC1(F)CCOCC1 ZINC001168123563 1034609410 /nfs/dbraw/zinc/60/94/10/1034609410.db2.gz GEJRCSVBWOGBFR-UHFFFAOYSA-N 1 2 334.366 3.730 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC000612265635 1034679786 /nfs/dbraw/zinc/67/97/86/1034679786.db2.gz BKCDDDRKRFSRJU-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO COc1cccc2c(N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc[nH+]c12 ZINC000450674171 1034703065 /nfs/dbraw/zinc/70/30/65/1034703065.db2.gz BDCGYYYEUCJNRE-LESCRADOSA-N 1 2 326.440 3.763 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000450702702 1034716781 /nfs/dbraw/zinc/71/67/81/1034716781.db2.gz AYRLYLUAOVWYMY-KVPUOBJLSA-N 1 2 328.437 3.608 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000450702702 1034716795 /nfs/dbraw/zinc/71/67/95/1034716795.db2.gz AYRLYLUAOVWYMY-KVPUOBJLSA-N 1 2 328.437 3.608 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(Cl)cc1F ZINC000450717391 1034730542 /nfs/dbraw/zinc/73/05/42/1034730542.db2.gz LIKONULYNAJYPH-KRWDZBQOSA-N 1 2 336.842 3.968 20 0 EHADLO C[C@]12CC3CC(C(=O)NCCCNc4cccc[nH+]4)(C1)C[C@@](C)(C3)C2 ZINC000605545030 1034770727 /nfs/dbraw/zinc/77/07/27/1034770727.db2.gz QFHXOLABPZOFKG-SHYIKFMPSA-N 1 2 341.499 3.996 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)c2cccc(Br)c2)c[nH+]1 ZINC000456830602 1034774813 /nfs/dbraw/zinc/77/48/13/1034774813.db2.gz DDRJRQLBWGTUBO-ZDUSSCGKSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000456829460 1034775036 /nfs/dbraw/zinc/77/50/36/1034775036.db2.gz CAYGPAINKSDOFM-KGLIPLIRSA-N 1 2 334.341 3.536 20 0 EHADLO COc1ccc(S[C@@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456861676 1034793666 /nfs/dbraw/zinc/79/36/66/1034793666.db2.gz PBOBMEPBYSYREE-AWEZNQCLSA-N 1 2 330.453 3.504 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ncccc1C(F)(F)F ZINC000121344061 1034839291 /nfs/dbraw/zinc/83/92/91/1034839291.db2.gz ZCZPVIRQKJTTQF-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ncccc1C(F)(F)F ZINC000121344061 1034839307 /nfs/dbraw/zinc/83/93/07/1034839307.db2.gz ZCZPVIRQKJTTQF-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO Cc1ccc(Br)cc1C[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000450852987 1034866967 /nfs/dbraw/zinc/86/69/67/1034866967.db2.gz GSRWCOMUXIOVLK-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO Cc1ccc(Br)cc1C[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000450852987 1034866972 /nfs/dbraw/zinc/86/69/72/1034866972.db2.gz GSRWCOMUXIOVLK-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530043029 1034908252 /nfs/dbraw/zinc/90/82/52/1034908252.db2.gz VFZMORVWQFVDOP-OXJNMPFZSA-N 1 2 345.446 3.789 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530043029 1034908259 /nfs/dbraw/zinc/90/82/59/1034908259.db2.gz VFZMORVWQFVDOP-OXJNMPFZSA-N 1 2 345.446 3.789 20 0 EHADLO CCc1cccc(C)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375925623 1034937255 /nfs/dbraw/zinc/93/72/55/1034937255.db2.gz AUERKTRETNZAJY-UHFFFAOYSA-N 1 2 326.444 3.754 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000375929359 1034942160 /nfs/dbraw/zinc/94/21/60/1034942160.db2.gz CESFNRCLEWXAFC-LJQANCHMSA-N 1 2 339.483 3.567 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450926330 1034950319 /nfs/dbraw/zinc/95/03/19/1034950319.db2.gz LOWNWWSOERAIPE-INIZCTEOSA-N 1 2 341.352 3.825 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450926330 1034950322 /nfs/dbraw/zinc/95/03/22/1034950322.db2.gz LOWNWWSOERAIPE-INIZCTEOSA-N 1 2 341.352 3.825 20 0 EHADLO Cc1cc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)ccc1Oc1cccnc1 ZINC000375933287 1034957926 /nfs/dbraw/zinc/95/79/26/1034957926.db2.gz QQHIJLDHUSUHDC-GYCJOSAFSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)ccc1Oc1cccnc1 ZINC000375933287 1034957934 /nfs/dbraw/zinc/95/79/34/1034957934.db2.gz QQHIJLDHUSUHDC-GYCJOSAFSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000303414672 1034964629 /nfs/dbraw/zinc/96/46/29/1034964629.db2.gz VWGQKRWRVMJMHR-QGZVFWFLSA-N 1 2 333.435 3.850 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2c(C)cccc2Cl)C2CCOCC2)n1 ZINC000450963439 1034991181 /nfs/dbraw/zinc/99/11/81/1034991181.db2.gz RRIYAVFDLHCQTB-MRXNPFEDSA-N 1 2 335.835 3.597 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451000395 1035022638 /nfs/dbraw/zinc/02/26/38/1035022638.db2.gz PIAOUQNFJYLRCW-HIFRSBDPSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451000395 1035022647 /nfs/dbraw/zinc/02/26/47/1035022647.db2.gz PIAOUQNFJYLRCW-HIFRSBDPSA-N 1 2 345.393 3.566 20 0 EHADLO CC(C)Cc1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000413796041 1035033470 /nfs/dbraw/zinc/03/34/70/1035033470.db2.gz UXWCHFIJASBGPF-GOSISDBHSA-N 1 2 345.874 3.653 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000451043053 1035041897 /nfs/dbraw/zinc/04/18/97/1035041897.db2.gz FGECOYLDINAIHF-VIFPVBQESA-N 1 2 344.629 3.588 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1(C)C ZINC000612552972 1035055742 /nfs/dbraw/zinc/05/57/42/1035055742.db2.gz POWYDLGIGQWGJR-MJGOQNOKSA-N 1 2 341.499 3.927 20 0 EHADLO COc1cccc(/C(C)=C\C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000255869198 1035169749 /nfs/dbraw/zinc/16/97/49/1035169749.db2.gz PCXOYHXMEIACQI-PEZBUJJGSA-N 1 2 339.439 3.502 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)c(C)c3)[nH+]c12 ZINC000133148732 1035215676 /nfs/dbraw/zinc/21/56/76/1035215676.db2.gz BIBZISZAQUHVHN-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)s1 ZINC000668784717 1035224300 /nfs/dbraw/zinc/22/43/00/1035224300.db2.gz HZRACRAPTZLPJW-OKILXGFUSA-N 1 2 332.391 3.555 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)s1 ZINC000668784717 1035224305 /nfs/dbraw/zinc/22/43/05/1035224305.db2.gz HZRACRAPTZLPJW-OKILXGFUSA-N 1 2 332.391 3.555 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)[nH]c1C ZINC000628319084 1035233454 /nfs/dbraw/zinc/23/34/54/1035233454.db2.gz KEDLVQVCCVDOSM-UHFFFAOYSA-N 1 2 330.501 3.741 20 0 EHADLO Cc1[nH]c(CN2CCC(c3nc4c(s3)CCCC4)CC2)[nH+]c1C ZINC000628319084 1035233460 /nfs/dbraw/zinc/23/34/60/1035233460.db2.gz KEDLVQVCCVDOSM-UHFFFAOYSA-N 1 2 330.501 3.741 20 0 EHADLO CSCc1c2ccccc2oc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000612991131 1035340691 /nfs/dbraw/zinc/34/06/91/1035340691.db2.gz AATHOOQXMNXYIQ-UHFFFAOYSA-N 1 2 340.408 3.670 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376180090 1035382385 /nfs/dbraw/zinc/38/23/85/1035382385.db2.gz DZOXRXNVYBMLCK-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000448370975 1035411782 /nfs/dbraw/zinc/41/17/82/1035411782.db2.gz BSYWFRVJUMZRBS-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000448370975 1035411784 /nfs/dbraw/zinc/41/17/84/1035411784.db2.gz BSYWFRVJUMZRBS-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC2 ZINC000613127055 1035415440 /nfs/dbraw/zinc/41/54/40/1035415440.db2.gz ARXLSDBFSARISV-GUDVDZBRSA-N 1 2 337.467 3.841 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)s1 ZINC000414072280 1035443392 /nfs/dbraw/zinc/44/33/92/1035443392.db2.gz UVJULVJLSUJAKS-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000414075422 1035445911 /nfs/dbraw/zinc/44/59/11/1035445911.db2.gz NPSOSEFEMPFCGW-BJJXKVORSA-N 1 2 346.452 3.501 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(Cc1ccccc1)C1CC1)C2 ZINC000376230651 1035477853 /nfs/dbraw/zinc/47/78/53/1035477853.db2.gz XQUWKLQLKPKLIQ-INIZCTEOSA-N 1 2 337.467 3.829 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(Cc1ccccc1)C1CC1)CC2 ZINC000376230651 1035477856 /nfs/dbraw/zinc/47/78/56/1035477856.db2.gz XQUWKLQLKPKLIQ-INIZCTEOSA-N 1 2 337.467 3.829 20 0 EHADLO C[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@H]1COc2ccccc21 ZINC000185647742 1035507706 /nfs/dbraw/zinc/50/77/06/1035507706.db2.gz KRTAAATZWLLNBJ-XJKSGUPXSA-N 1 2 327.428 3.772 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000492225581 1035513447 /nfs/dbraw/zinc/51/34/47/1035513447.db2.gz JILDGQWUMQFNGN-SBJJXXPASA-N 1 2 331.366 3.580 20 0 EHADLO O=C(/C=C\c1cccnc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492248157 1035524684 /nfs/dbraw/zinc/52/46/84/1035524684.db2.gz KWQOJCMURCOPLN-KTKRTIGZSA-N 1 2 342.402 3.649 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(Cl)c1)C2 ZINC000376245776 1035561734 /nfs/dbraw/zinc/56/17/34/1035561734.db2.gz UPZVMDKAEGMKSP-ZDUSSCGKSA-N 1 2 331.847 3.608 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(Cl)c1)CC2 ZINC000376245776 1035561747 /nfs/dbraw/zinc/56/17/47/1035561747.db2.gz UPZVMDKAEGMKSP-ZDUSSCGKSA-N 1 2 331.847 3.608 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187594670 1035624107 /nfs/dbraw/zinc/62/41/07/1035624107.db2.gz LFVVZAYVJUNUOW-UHFFFAOYSA-N 1 2 348.450 3.967 20 0 EHADLO COc1ccc(F)c(N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000540744098 1035654569 /nfs/dbraw/zinc/65/45/69/1035654569.db2.gz HOJACGDRXYHEJC-MGPUTAFESA-N 1 2 344.430 3.708 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)C2 ZINC000457086666 1035702597 /nfs/dbraw/zinc/70/25/97/1035702597.db2.gz PWBFGVBDKIUANJ-LSDHHAIUSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)CC2 ZINC000457086666 1035702614 /nfs/dbraw/zinc/70/26/14/1035702614.db2.gz PWBFGVBDKIUANJ-LSDHHAIUSA-N 1 2 331.504 3.923 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(C)(CC(F)(F)F)C2)c1 ZINC000457092378 1035710323 /nfs/dbraw/zinc/71/03/23/1035710323.db2.gz CAJONQVYDOATTN-UHFFFAOYSA-N 1 2 337.345 3.595 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1-c1ccccc1 ZINC000186818880 1035711329 /nfs/dbraw/zinc/71/13/29/1035711329.db2.gz MSRRKCASNLHAGD-IBGZPJMESA-N 1 2 345.446 3.737 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000431821253 1035714590 /nfs/dbraw/zinc/71/45/90/1035714590.db2.gz FDBRQJHVMLXRDW-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCO1 ZINC000540871051 1035751491 /nfs/dbraw/zinc/75/14/91/1035751491.db2.gz DWUQPVLECMJNQH-RDJZCZTQSA-N 1 2 344.459 3.748 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2coc(-c3cccc(F)c3)n2)c(C)[nH+]1 ZINC000187144135 1035768463 /nfs/dbraw/zinc/76/84/63/1035768463.db2.gz LODWWCRLHLOMIB-DEOSSOPVSA-N 1 2 344.411 3.941 20 0 EHADLO CCO[C@@H](C)c1nc(C[S@@](=O)Cc2ccc(C)[nH+]c2C)cs1 ZINC000187159666 1035776191 /nfs/dbraw/zinc/77/61/91/1035776191.db2.gz RXQMLVKECUIIGZ-XMHCIUCPSA-N 1 2 338.498 3.701 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCc1cccc(F)c1)C2 ZINC000475783434 1035802522 /nfs/dbraw/zinc/80/25/22/1035802522.db2.gz WTRDJTWEBGGPPT-HNNXBMFYSA-N 1 2 343.446 3.526 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCc1cccc(F)c1)CC2 ZINC000475783434 1035802546 /nfs/dbraw/zinc/80/25/46/1035802546.db2.gz WTRDJTWEBGGPPT-HNNXBMFYSA-N 1 2 343.446 3.526 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000187294340 1035808466 /nfs/dbraw/zinc/80/84/66/1035808466.db2.gz YFZFZXCLAGJKOI-UHFFFAOYSA-N 1 2 329.403 3.560 20 0 EHADLO O=C([C@H]1CCCC2(CC2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424750 1035841549 /nfs/dbraw/zinc/84/15/49/1035841549.db2.gz RCTGILPRZCDIJH-SFHVURJKSA-N 1 2 329.488 3.872 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000586283971 1035887581 /nfs/dbraw/zinc/88/75/81/1035887581.db2.gz CCNZMXGSDOTVSV-GOSISDBHSA-N 1 2 344.503 3.840 20 0 EHADLO c1ccc(C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C2CC2)cc1 ZINC000588668179 1035933170 /nfs/dbraw/zinc/93/31/70/1035933170.db2.gz IHWQNLHWSZXWLQ-UHFFFAOYSA-N 1 2 349.390 3.630 20 0 EHADLO c1ccc(C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C2CC2)cc1 ZINC000588668179 1035933193 /nfs/dbraw/zinc/93/31/93/1035933193.db2.gz IHWQNLHWSZXWLQ-UHFFFAOYSA-N 1 2 349.390 3.630 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000541053706 1035945976 /nfs/dbraw/zinc/94/59/76/1035945976.db2.gz KMWKSVBMQIOPPZ-OAHLLOKOSA-N 1 2 328.437 3.789 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2ccccc2Br)c(C)c[nH+]1 ZINC000535059689 1035969533 /nfs/dbraw/zinc/96/95/33/1035969533.db2.gz VFSIQGRATDJQIB-UHFFFAOYSA-N 1 2 348.244 3.547 20 0 EHADLO Cc1ccccc1[C@H]1CN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)CO1 ZINC000541090150 1035974216 /nfs/dbraw/zinc/97/42/16/1035974216.db2.gz MCRFMZMRIHDFKA-FOIQADDNSA-N 1 2 337.467 3.939 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3ccccc3F)o2)ccc1O ZINC000174539985 1035994129 /nfs/dbraw/zinc/99/41/29/1035994129.db2.gz ARVKHBDFJLGZCA-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3ccccc3F)o2)ccc1O ZINC000174539985 1035994135 /nfs/dbraw/zinc/99/41/35/1035994135.db2.gz ARVKHBDFJLGZCA-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000189022090 1036006044 /nfs/dbraw/zinc/00/60/44/1036006044.db2.gz YBKIOWCDSGJELT-HXUWFJFHSA-N 1 2 346.409 3.987 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000463966089 1036011577 /nfs/dbraw/zinc/01/15/77/1036011577.db2.gz SGJORMYXHAZFHR-YTQUADARSA-N 1 2 340.471 3.558 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3nnnn3C3CC3)oc21 ZINC000189132677 1036019299 /nfs/dbraw/zinc/01/92/99/1036019299.db2.gz QNZDIDHNCSORMR-RYUDHWBXSA-N 1 2 341.415 3.565 20 0 EHADLO CC(C)(C)C1=CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000572211008 1036044179 /nfs/dbraw/zinc/04/41/79/1036044179.db2.gz FZFNIKFTTCGURK-UHFFFAOYSA-N 1 2 337.467 3.679 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178729 1036064005 /nfs/dbraw/zinc/06/40/05/1036064005.db2.gz HBAJKZPZIYGOPP-WMZOPIPTSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2cccc(Br)c2Cl)nn1C ZINC000414207587 1036069395 /nfs/dbraw/zinc/06/93/95/1036069395.db2.gz HOMZRUAUGVRGAL-JTQLQIEISA-N 1 2 342.668 3.995 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000572487057 1036114071 /nfs/dbraw/zinc/11/40/71/1036114071.db2.gz UTDPZMNLRXNCSO-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO CCCc1noc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)n1 ZINC000189819009 1036149324 /nfs/dbraw/zinc/14/93/24/1036149324.db2.gz JIFSWJAPBFFUDF-UHFFFAOYSA-N 1 2 340.427 3.851 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@H](C)c1ccccc1 ZINC000174880620 1036150086 /nfs/dbraw/zinc/15/00/86/1036150086.db2.gz GXLICENMNTYVNL-DLBZAZTESA-N 1 2 340.471 3.765 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414235229 1036203419 /nfs/dbraw/zinc/20/34/19/1036203419.db2.gz GZEXZRCDVNHCLO-PSLIRLAXSA-N 1 2 325.309 3.658 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000457507753 1036209502 /nfs/dbraw/zinc/20/95/02/1036209502.db2.gz QBTLZVFXYCTBDU-UHFFFAOYSA-N 1 2 345.874 3.969 20 0 EHADLO CCC[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535256791 1036271784 /nfs/dbraw/zinc/27/17/84/1036271784.db2.gz SIXPKRGHMWFNLG-IBGZPJMESA-N 1 2 342.508 3.976 20 0 EHADLO CC(C)(CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000492773970 1036299515 /nfs/dbraw/zinc/29/95/15/1036299515.db2.gz WSHKXWHJBCRSHX-YVMONPNESA-N 1 2 337.345 3.590 20 0 EHADLO CCCn1c(C[NH2+]Cc2ccc(C(=O)OCC)o2)nc2ccccc21 ZINC000589197571 1036302645 /nfs/dbraw/zinc/30/26/45/1036302645.db2.gz LQIJSXFCLZYGPA-UHFFFAOYSA-N 1 2 341.411 3.506 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457633080 1036335498 /nfs/dbraw/zinc/33/54/98/1036335498.db2.gz YYNUASFVHREAIG-UHFFFAOYSA-N 1 2 342.487 3.598 20 0 EHADLO O=C1NCC[N@@H+](CCCc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000464767347 1036337536 /nfs/dbraw/zinc/33/75/36/1036337536.db2.gz WFOAIXLNWOMXSA-MRXNPFEDSA-N 1 2 334.872 3.507 20 0 EHADLO O=C1NCC[N@H+](CCCc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000464767347 1036337550 /nfs/dbraw/zinc/33/75/50/1036337550.db2.gz WFOAIXLNWOMXSA-MRXNPFEDSA-N 1 2 334.872 3.507 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105642 1036337690 /nfs/dbraw/zinc/33/76/90/1036337690.db2.gz YUBWOORAJPNPGM-WDEREUQCSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105642 1036337712 /nfs/dbraw/zinc/33/77/12/1036337712.db2.gz YUBWOORAJPNPGM-WDEREUQCSA-N 1 2 328.225 3.514 20 0 EHADLO CC1CCN(C(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191245329 1036352150 /nfs/dbraw/zinc/35/21/50/1036352150.db2.gz IIIQWCKODUSZRP-UHFFFAOYSA-N 1 2 342.405 3.700 20 0 EHADLO CC1CCN(C(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191245329 1036352166 /nfs/dbraw/zinc/35/21/66/1036352166.db2.gz IIIQWCKODUSZRP-UHFFFAOYSA-N 1 2 342.405 3.700 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Br)c(Cl)s1 ZINC000191269890 1036357853 /nfs/dbraw/zinc/35/78/53/1036357853.db2.gz FEWBMEVXLYYTTG-UHFFFAOYSA-N 1 2 348.697 3.920 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)c(Cl)s1 ZINC000191269890 1036357871 /nfs/dbraw/zinc/35/78/71/1036357871.db2.gz FEWBMEVXLYYTTG-UHFFFAOYSA-N 1 2 348.697 3.920 20 0 EHADLO C[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000175427937 1036358439 /nfs/dbraw/zinc/35/84/39/1036358439.db2.gz SFRDGAYBFLDPPA-INIZCTEOSA-N 1 2 333.435 3.957 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249731635 1036375730 /nfs/dbraw/zinc/37/57/30/1036375730.db2.gz TZVORZWSRPMMSP-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249731635 1036375751 /nfs/dbraw/zinc/37/57/51/1036375751.db2.gz TZVORZWSRPMMSP-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571991 1036378486 /nfs/dbraw/zinc/37/84/86/1036378486.db2.gz UPXQXYHRKTXZGN-HNAYVOBHSA-N 1 2 329.444 3.680 20 0 EHADLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571991 1036378504 /nfs/dbraw/zinc/37/85/04/1036378504.db2.gz UPXQXYHRKTXZGN-HNAYVOBHSA-N 1 2 329.444 3.680 20 0 EHADLO O=C(/C=C\c1ccc(Cl)s1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492918643 1036395267 /nfs/dbraw/zinc/39/52/67/1036395267.db2.gz FSMPTUCRDWNPBG-UTCJRWHESA-N 1 2 344.827 3.693 20 0 EHADLO C[C@H](Oc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000191657771 1036403698 /nfs/dbraw/zinc/40/36/98/1036403698.db2.gz KOSAENCEWIPKKP-KRWDZBQOSA-N 1 2 349.434 3.843 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccc(F)cc4)C[C@@H]3C)ccn12 ZINC000572660650 1036450854 /nfs/dbraw/zinc/45/08/54/1036450854.db2.gz NYAQCENWQQCTAU-SUMWQHHRSA-N 1 2 337.398 3.800 20 0 EHADLO Fc1c[nH+]ccc1NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000192149373 1036479820 /nfs/dbraw/zinc/47/98/20/1036479820.db2.gz WYBHCOIYPQJFIS-UHFFFAOYSA-N 1 2 347.191 3.985 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C)o1 ZINC000541629440 1036517678 /nfs/dbraw/zinc/51/76/78/1036517678.db2.gz DQULSWFKUAYROI-QGZVFWFLSA-N 1 2 344.455 3.801 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572846617 1036533605 /nfs/dbraw/zinc/53/36/05/1036533605.db2.gz AQQWPJHEUSZRJQ-HUUCEWRRSA-N 1 2 339.443 3.642 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000572878894 1036541538 /nfs/dbraw/zinc/54/15/38/1036541538.db2.gz HWMZOXBDZNGOTK-HOTGVXAUSA-N 1 2 345.361 3.528 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000572878894 1036541551 /nfs/dbraw/zinc/54/15/51/1036541551.db2.gz HWMZOXBDZNGOTK-HOTGVXAUSA-N 1 2 345.361 3.528 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997722 1036573089 /nfs/dbraw/zinc/57/30/89/1036573089.db2.gz HACXSIFGDQVMEW-CQSZACIVSA-N 1 2 349.409 3.913 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997722 1036573104 /nfs/dbraw/zinc/57/31/04/1036573104.db2.gz HACXSIFGDQVMEW-CQSZACIVSA-N 1 2 349.409 3.913 20 0 EHADLO FC(F)(F)c1cccc(OCC[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000589646149 1036576504 /nfs/dbraw/zinc/57/65/04/1036576504.db2.gz XVLYFOMYNZUPFD-UHFFFAOYSA-N 1 2 335.329 3.750 20 0 EHADLO Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc[nH+]1 ZINC000176288642 1036594551 /nfs/dbraw/zinc/59/45/51/1036594551.db2.gz XAYAYTBEABHUBK-UHFFFAOYSA-N 1 2 334.828 3.598 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000193379218 1036597516 /nfs/dbraw/zinc/59/75/16/1036597516.db2.gz DPNDZXRZEBWLDK-FQEVSTJZSA-N 1 2 331.419 3.669 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000193379218 1036597529 /nfs/dbraw/zinc/59/75/29/1036597529.db2.gz DPNDZXRZEBWLDK-FQEVSTJZSA-N 1 2 331.419 3.669 20 0 EHADLO CCOC1CC[NH+](Cc2c(F)cc(Br)cc2OC)CC1 ZINC001233066074 1036620469 /nfs/dbraw/zinc/62/04/69/1036620469.db2.gz YGACYHJKZSNDFY-UHFFFAOYSA-N 1 2 346.240 3.598 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000493074688 1036639479 /nfs/dbraw/zinc/63/94/79/1036639479.db2.gz VIBWDAIELSEVNK-LMVHVUTASA-N 1 2 349.356 3.848 20 0 EHADLO CC(C)(C)OC(=O)CCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000589945105 1036688921 /nfs/dbraw/zinc/68/89/21/1036688921.db2.gz WUYKFUUXFSQDAM-INIZCTEOSA-N 1 2 336.480 3.528 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590006555 1036696420 /nfs/dbraw/zinc/69/64/20/1036696420.db2.gz FMIACJBTDDEQIR-GFCCVEGCSA-N 1 2 348.855 3.505 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000541869459 1036737956 /nfs/dbraw/zinc/73/79/56/1036737956.db2.gz YHERJVYMJPHZEX-SFHVURJKSA-N 1 2 339.391 3.904 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155014 1036777187 /nfs/dbraw/zinc/77/71/87/1036777187.db2.gz HWTKUQJGKHWVGI-ZFWWWQNUSA-N 1 2 330.457 3.512 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccsc1 ZINC000669828183 1036826075 /nfs/dbraw/zinc/82/60/75/1036826075.db2.gz FWCJRYWDSWCSDT-JTQLQIEISA-N 1 2 325.393 3.994 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000493196426 1036868459 /nfs/dbraw/zinc/86/84/59/1036868459.db2.gz XFIZZRNQPRDORX-SREVYHEPSA-N 1 2 331.803 3.894 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccsc1 ZINC000669831088 1036918565 /nfs/dbraw/zinc/91/85/65/1036918565.db2.gz ORYANJVDNPDWME-SNVBAGLBSA-N 1 2 336.823 3.972 20 0 EHADLO Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177772478 1036930188 /nfs/dbraw/zinc/93/01/88/1036930188.db2.gz FGVINCVPNKIGHT-LJQANCHMSA-N 1 2 348.450 3.998 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000177781222 1036932785 /nfs/dbraw/zinc/93/27/85/1036932785.db2.gz UOKSDCLBZIXFKZ-LJQANCHMSA-N 1 2 348.450 3.814 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000539583244 1036935334 /nfs/dbraw/zinc/93/53/34/1036935334.db2.gz PUHXBKKJVHLAPR-GOSISDBHSA-N 1 2 347.422 3.642 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000177831729 1036945706 /nfs/dbraw/zinc/94/57/06/1036945706.db2.gz JRYHHQJKGATRSA-IFXJQAMLSA-N 1 2 340.471 3.578 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000177831729 1036945720 /nfs/dbraw/zinc/94/57/20/1036945720.db2.gz JRYHHQJKGATRSA-IFXJQAMLSA-N 1 2 340.471 3.578 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590617130 1036970011 /nfs/dbraw/zinc/97/00/11/1036970011.db2.gz AHYADLZZJZHSIV-ROUUACIJSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000186722938 1036980628 /nfs/dbraw/zinc/98/06/28/1036980628.db2.gz DUOMRNMUQCCQKE-IUODEOHRSA-N 1 2 329.366 3.558 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728337 1037008632 /nfs/dbraw/zinc/00/86/32/1037008632.db2.gz LOSKIIJOAOBDMO-KRWDZBQOSA-N 1 2 348.406 3.548 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000414366041 1037016218 /nfs/dbraw/zinc/01/62/18/1037016218.db2.gz AQIRXYMYXTUTMN-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000414366041 1037016238 /nfs/dbraw/zinc/01/62/38/1037016238.db2.gz AQIRXYMYXTUTMN-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CCC[NH+]1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)CC1 ZINC000590711578 1037018989 /nfs/dbraw/zinc/01/89/89/1037018989.db2.gz PGSHCEMQUPLZAU-UHFFFAOYSA-N 1 2 343.496 3.595 20 0 EHADLO Cc1cccc2c1CN(C(=O)[C@@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000376464168 1037019054 /nfs/dbraw/zinc/01/90/54/1037019054.db2.gz PHZAMNUBUKEGRR-MRXNPFEDSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1cccc2c1CN(C(=O)[C@@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000376464168 1037019065 /nfs/dbraw/zinc/01/90/65/1037019065.db2.gz PHZAMNUBUKEGRR-MRXNPFEDSA-N 1 2 337.467 3.531 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccccc1Cc1ccccc1 ZINC000178357389 1037029675 /nfs/dbraw/zinc/02/96/75/1037029675.db2.gz MVMHMHPNUROLAO-UHFFFAOYSA-N 1 2 341.414 3.855 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1F ZINC000186813643 1037030717 /nfs/dbraw/zinc/03/07/17/1037030717.db2.gz HOFACSJYTQPOID-GFCCVEGCSA-N 1 2 336.407 3.988 20 0 EHADLO CC1(C)CCC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000178438154 1037042505 /nfs/dbraw/zinc/04/25/05/1037042505.db2.gz WXBFXFMBYYDABJ-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000462504020 1037050824 /nfs/dbraw/zinc/05/08/24/1037050824.db2.gz MCJXILOGVSWCPT-SUMDDJOVSA-N 1 2 340.471 3.531 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c(Br)c1 ZINC000590788974 1037055873 /nfs/dbraw/zinc/05/58/73/1037055873.db2.gz NTYHAQUCALPQKO-HNNXBMFYSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C2CC2)c(Br)c1 ZINC000590788974 1037055894 /nfs/dbraw/zinc/05/58/94/1037055894.db2.gz NTYHAQUCALPQKO-HNNXBMFYSA-N 1 2 337.261 3.570 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1C1CC1 ZINC000590798812 1037063215 /nfs/dbraw/zinc/06/32/15/1037063215.db2.gz RACVCOYBOKOYBH-HNNXBMFYSA-N 1 2 334.489 3.535 20 0 EHADLO CC(C)(C)Oc1ccncc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178670772 1037075435 /nfs/dbraw/zinc/07/54/35/1037075435.db2.gz GGNOHAHZQLBHGI-UHFFFAOYSA-N 1 2 336.395 3.697 20 0 EHADLO Cc1cccc(C(NC(=O)NCCn2cc[nH+]c2)c2cccc(C)c2)c1 ZINC000176698233 1037145410 /nfs/dbraw/zinc/14/54/10/1037145410.db2.gz BHQSGVTUELLYBW-UHFFFAOYSA-N 1 2 348.450 3.589 20 0 EHADLO Cc1cc(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c(C)c[nH+]1 ZINC000666496161 1037150321 /nfs/dbraw/zinc/15/03/21/1037150321.db2.gz KJRPXXLMZYUYAZ-KRWDZBQOSA-N 1 2 325.412 3.863 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c(C)o1 ZINC000105200153 1037157081 /nfs/dbraw/zinc/15/70/81/1037157081.db2.gz AOXOXYXQKSJBTG-AWEZNQCLSA-N 1 2 330.432 3.544 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000376491342 1037201406 /nfs/dbraw/zinc/20/14/06/1037201406.db2.gz LYFXPIFALIDHIP-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1C ZINC000591053353 1037203216 /nfs/dbraw/zinc/20/32/16/1037203216.db2.gz LBRJLPITBWUALL-KRWDZBQOSA-N 1 2 340.442 3.962 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)n1cccc1 ZINC000591095378 1037220514 /nfs/dbraw/zinc/22/05/14/1037220514.db2.gz IXEZBOXEHMFTCH-AWEZNQCLSA-N 1 2 332.473 3.520 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2cc(Br)cs2)s1 ZINC000290218011 1037242769 /nfs/dbraw/zinc/24/27/69/1037242769.db2.gz QOYWRNBRBFKPRO-ZETCQYMHSA-N 1 2 332.292 3.775 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000539826645 1037250174 /nfs/dbraw/zinc/25/01/74/1037250174.db2.gz XUPHCOYXMIXQNB-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000539826645 1037250185 /nfs/dbraw/zinc/25/01/85/1037250185.db2.gz XUPHCOYXMIXQNB-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000539831315 1037257996 /nfs/dbraw/zinc/25/79/96/1037257996.db2.gz JMAZIJYJKRGABQ-HXUWFJFHSA-N 1 2 339.435 3.531 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000539831315 1037258024 /nfs/dbraw/zinc/25/80/24/1037258024.db2.gz JMAZIJYJKRGABQ-HXUWFJFHSA-N 1 2 339.435 3.531 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc(C(F)(F)F)s1)C2 ZINC000276730592 1037265242 /nfs/dbraw/zinc/26/52/42/1037265242.db2.gz FGSKKSURVPESRM-UHFFFAOYSA-N 1 2 330.379 3.582 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000052711125 1037269005 /nfs/dbraw/zinc/26/90/05/1037269005.db2.gz KWLLZZHGOPDQRZ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000052711125 1037269022 /nfs/dbraw/zinc/26/90/22/1037269022.db2.gz KWLLZZHGOPDQRZ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500877 1037281803 /nfs/dbraw/zinc/28/18/03/1037281803.db2.gz IUXOVMFXBYCHOD-DYVFJYSZSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500877 1037281822 /nfs/dbraw/zinc/28/18/22/1037281822.db2.gz IUXOVMFXBYCHOD-DYVFJYSZSA-N 1 2 338.386 3.854 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(Cl)c1 ZINC000573106892 1037289328 /nfs/dbraw/zinc/28/93/28/1037289328.db2.gz YFMICEOUKVYEAZ-OAHLLOKOSA-N 1 2 343.858 3.780 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(Cl)c1 ZINC000573106892 1037289346 /nfs/dbraw/zinc/28/93/46/1037289346.db2.gz YFMICEOUKVYEAZ-OAHLLOKOSA-N 1 2 343.858 3.780 20 0 EHADLO CCc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000106136669 1037305141 /nfs/dbraw/zinc/30/51/41/1037305141.db2.gz YZHCYAGZCUJGBU-ZIAGYGMSSA-N 1 2 348.878 3.725 20 0 EHADLO Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CCC2 ZINC000511510910 1037317404 /nfs/dbraw/zinc/31/74/04/1037317404.db2.gz WQBKFBSEENGSEJ-IEBWSBKVSA-N 1 2 349.478 3.750 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395924 1037319714 /nfs/dbraw/zinc/31/97/14/1037319714.db2.gz LBDSEZZWPBXWKY-HOCLYGCPSA-N 1 2 349.521 3.605 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395924 1037319728 /nfs/dbraw/zinc/31/97/28/1037319728.db2.gz LBDSEZZWPBXWKY-HOCLYGCPSA-N 1 2 349.521 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)c2cccc(C)c2)c1C ZINC000152619144 1037398801 /nfs/dbraw/zinc/39/88/01/1037398801.db2.gz SCCDOOQHBJUGOS-UHFFFAOYSA-N 1 2 341.455 3.750 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)n1cccc1 ZINC000591450304 1037412573 /nfs/dbraw/zinc/41/25/73/1037412573.db2.gz BJARFJCSRFHODF-CYBMUJFWSA-N 1 2 328.803 3.917 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](Cc3nc(C4CCCCC4)no3)C2)cc1 ZINC000669407314 1037418098 /nfs/dbraw/zinc/41/80/98/1037418098.db2.gz JKENZKFIFRSICT-GOSISDBHSA-N 1 2 341.455 3.561 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](Cc3nc(C4CCCCC4)no3)C2)cc1 ZINC000669407314 1037418106 /nfs/dbraw/zinc/41/81/06/1037418106.db2.gz JKENZKFIFRSICT-GOSISDBHSA-N 1 2 341.455 3.561 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2ncc(C)o2)ccc1OC(F)F ZINC000540012029 1037462680 /nfs/dbraw/zinc/46/26/80/1037462680.db2.gz HLPXIMUYFWBTGY-LLVKDONJSA-N 1 2 326.343 3.786 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2ncc(C)o2)ccc1OC(F)F ZINC000540012029 1037462685 /nfs/dbraw/zinc/46/26/85/1037462685.db2.gz HLPXIMUYFWBTGY-LLVKDONJSA-N 1 2 326.343 3.786 20 0 EHADLO Cn1c2ccccc2cc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1=O ZINC000491413592 1037464302 /nfs/dbraw/zinc/46/43/02/1037464302.db2.gz MXXLCTFYXAKAMS-UHFFFAOYSA-N 1 2 341.480 3.582 20 0 EHADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000493593827 1037478638 /nfs/dbraw/zinc/47/86/38/1037478638.db2.gz GQIDNSCOWKAMMV-IBSYWUHOSA-N 1 2 347.422 3.567 20 0 EHADLO COc1ccc2oc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)c(C)c2c1 ZINC000152665695 1037486648 /nfs/dbraw/zinc/48/66/48/1037486648.db2.gz OQPAHGXOWMXNKS-UHFFFAOYSA-N 1 2 339.395 3.772 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177396872 1037510428 /nfs/dbraw/zinc/51/04/28/1037510428.db2.gz GKCRNMQASFMLFB-MRXNPFEDSA-N 1 2 342.464 3.732 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177396872 1037510439 /nfs/dbraw/zinc/51/04/39/1037510439.db2.gz GKCRNMQASFMLFB-MRXNPFEDSA-N 1 2 342.464 3.732 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000532502795 1037530309 /nfs/dbraw/zinc/53/03/09/1037530309.db2.gz SMSHJVHYYGGPAR-UKRRQHHQSA-N 1 2 334.261 3.988 20 0 EHADLO c1ccc(O[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000376543232 1037542210 /nfs/dbraw/zinc/54/22/10/1037542210.db2.gz WKCHPXONIXZJTQ-SFHVURJKSA-N 1 2 338.455 3.534 20 0 EHADLO c1ccc(O[C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000376543232 1037542229 /nfs/dbraw/zinc/54/22/29/1037542229.db2.gz WKCHPXONIXZJTQ-SFHVURJKSA-N 1 2 338.455 3.534 20 0 EHADLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)C[C@H]3c3ccccc3F)[nH]c2n1 ZINC000760859031 1037545961 /nfs/dbraw/zinc/54/59/61/1037545961.db2.gz KFCTZIDFANLXSD-LRDDRELGSA-N 1 2 340.402 3.689 20 0 EHADLO COc1ccc2nc(C[N@H+]3C[C@@H](C)C[C@H]3c3ccccc3F)[nH]c2n1 ZINC000760859031 1037545977 /nfs/dbraw/zinc/54/59/77/1037545977.db2.gz KFCTZIDFANLXSD-LRDDRELGSA-N 1 2 340.402 3.689 20 0 EHADLO COc1c(O)cccc1C[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000493739725 1037590351 /nfs/dbraw/zinc/59/03/51/1037590351.db2.gz XYDYHVHWOBNJCV-LBPRGKRZSA-N 1 2 340.206 3.931 20 0 EHADLO Cc1c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cnn1-c1ccccc1C ZINC000152725436 1037592956 /nfs/dbraw/zinc/59/29/56/1037592956.db2.gz PRLQYQRCJPTPQR-UHFFFAOYSA-N 1 2 349.438 3.511 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000026513229 1037612401 /nfs/dbraw/zinc/61/24/01/1037612401.db2.gz HTWKIPVNXJTVFI-GFCCVEGCSA-N 1 2 344.484 3.611 20 0 EHADLO Cc1nc(C)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000172729910 1037621881 /nfs/dbraw/zinc/62/18/81/1037621881.db2.gz UMTYTWLUEIDPIW-RMKNXTFCSA-N 1 2 327.497 3.591 20 0 EHADLO C[C@H](Nc1cccc(CN2CCOCC2)[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421081 1037643730 /nfs/dbraw/zinc/64/37/30/1037643730.db2.gz GDCDEMJZWFXXRD-BHYGNILZSA-N 1 2 343.496 3.579 20 0 EHADLO CC1(C(=O)NCCn2c[nH+]cc2-c2ccccc2)CCC(F)(F)CC1 ZINC000913712107 1037658173 /nfs/dbraw/zinc/65/81/73/1037658173.db2.gz PJEQXGPYBOLQDY-UHFFFAOYSA-N 1 2 347.409 3.882 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000463037895 1037677947 /nfs/dbraw/zinc/67/79/47/1037677947.db2.gz UXYZMCCYTOHRGY-KRWDZBQOSA-N 1 2 342.508 3.813 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000669424809 1037684421 /nfs/dbraw/zinc/68/44/21/1037684421.db2.gz PPEPMXHGJCWFHA-GOSISDBHSA-N 1 2 325.456 3.883 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838589 1037708977 /nfs/dbraw/zinc/70/89/77/1037708977.db2.gz TXAZBJVNVKRETR-OCCSQVGLSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838589 1037708994 /nfs/dbraw/zinc/70/89/94/1037708994.db2.gz TXAZBJVNVKRETR-OCCSQVGLSA-N 1 2 349.272 3.997 20 0 EHADLO CSc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)o1 ZINC000666640629 1037733874 /nfs/dbraw/zinc/73/38/74/1037733874.db2.gz PJYUMBCCRYPSCO-UHFFFAOYSA-N 1 2 345.468 3.625 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cnc(C4CC4)s3)ccc21 ZINC000573793155 1037747287 /nfs/dbraw/zinc/74/72/87/1037747287.db2.gz BVTPIORFRZTTEU-UHFFFAOYSA-N 1 2 338.436 3.887 20 0 EHADLO CC(C)(C)c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000030605910 1037753925 /nfs/dbraw/zinc/75/39/25/1037753925.db2.gz IMLMRRURYUHBSX-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000584548395 1037756198 /nfs/dbraw/zinc/75/61/98/1037756198.db2.gz KRBTVCOQODZRKZ-HNNXBMFYSA-N 1 2 340.254 3.927 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ncc(C3CC3)o2)C2CC2)C1 ZINC000494008533 1037790803 /nfs/dbraw/zinc/79/08/03/1037790803.db2.gz JEWOUIYGEVCOCA-HNNXBMFYSA-N 1 2 347.459 3.526 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ncc(C3CC3)o2)C2CC2)C1 ZINC000494008533 1037790813 /nfs/dbraw/zinc/79/08/13/1037790813.db2.gz JEWOUIYGEVCOCA-HNNXBMFYSA-N 1 2 347.459 3.526 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCS[C@H](C)CC1 ZINC000494118068 1037839869 /nfs/dbraw/zinc/83/98/69/1037839869.db2.gz ZFNQALGDVJVXIY-GHMZBOCLSA-N 1 2 330.856 3.634 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCS[C@H](C)CC1 ZINC000494118068 1037839890 /nfs/dbraw/zinc/83/98/90/1037839890.db2.gz ZFNQALGDVJVXIY-GHMZBOCLSA-N 1 2 330.856 3.634 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119030036 1037882187 /nfs/dbraw/zinc/88/21/87/1037882187.db2.gz KPFUWIOWRBBGNR-ZDUSSCGKSA-N 1 2 343.402 3.545 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)NC1CCCC1 ZINC000540430504 1037935881 /nfs/dbraw/zinc/93/58/81/1037935881.db2.gz OTAVBPMZIDFADW-UHFFFAOYSA-N 1 2 327.255 3.631 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC12CCCCC2 ZINC000463309257 1038010548 /nfs/dbraw/zinc/01/05/48/1038010548.db2.gz OYUVNRUPSJUSLG-MRXNPFEDSA-N 1 2 340.471 3.836 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000058544921 1038095116 /nfs/dbraw/zinc/09/51/16/1038095116.db2.gz PRCQESZFMSXPFJ-UHFFFAOYSA-N 1 2 335.791 3.905 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1n1cc[nH+]c1 ZINC000123972937 1038112325 /nfs/dbraw/zinc/11/23/25/1038112325.db2.gz GUFDVNMMBINHFY-APIJFGDWSA-N 1 2 343.393 3.661 20 0 EHADLO CCC1(CC)[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C[C@@H]1OC ZINC000540591041 1038119016 /nfs/dbraw/zinc/11/90/16/1038119016.db2.gz DKKCSBUNHXPPBD-UAGQMJEPSA-N 1 2 343.471 3.905 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000042895473 1038264277 /nfs/dbraw/zinc/26/42/77/1038264277.db2.gz CJIXHTWFNSOVSS-QGZVFWFLSA-N 1 2 346.450 3.889 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1Cl ZINC000125016052 1038267576 /nfs/dbraw/zinc/26/75/76/1038267576.db2.gz BMRNERSNDHLJHU-LBPRGKRZSA-N 1 2 342.892 3.503 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)ccc1F ZINC000043235569 1038299207 /nfs/dbraw/zinc/29/92/07/1038299207.db2.gz RQPTUDJZNMVXTK-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CCc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000043333520 1038309525 /nfs/dbraw/zinc/30/95/25/1038309525.db2.gz AXLAGIVFKBEJIY-UHFFFAOYSA-N 1 2 334.423 3.816 20 0 EHADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)COc1cc(Cl)ccc1Cl ZINC000398099691 1038419384 /nfs/dbraw/zinc/41/93/84/1038419384.db2.gz YQJINXLQCJTRMH-GXFFZTMASA-N 1 2 340.197 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(C)[nH+]1 ZINC000667119150 1038457963 /nfs/dbraw/zinc/45/79/63/1038457963.db2.gz KKLVAUZXYHUTCI-SOLBZPMBSA-N 1 2 325.387 3.606 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nsc2ccccc21 ZINC000659977251 1038591700 /nfs/dbraw/zinc/59/17/00/1038591700.db2.gz LTZQLRANEWUTLR-CABCVRRESA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nsc2ccccc21 ZINC000659977251 1038591704 /nfs/dbraw/zinc/59/17/04/1038591704.db2.gz LTZQLRANEWUTLR-CABCVRRESA-N 1 2 331.485 3.518 20 0 EHADLO OC1(C2CCN(c3[nH+]ccc4cc(Br)ccc43)CC2)CC1 ZINC000651379118 1038642072 /nfs/dbraw/zinc/64/20/72/1038642072.db2.gz RRLIWQKKAZYRAX-UHFFFAOYSA-N 1 2 347.256 3.739 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@H]2CCOC2)cc1 ZINC000539296799 1038765634 /nfs/dbraw/zinc/76/56/34/1038765634.db2.gz DSEFBNCJNOILQR-FUHWJXTLSA-N 1 2 327.428 3.595 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cc1OC ZINC000924692222 1038795217 /nfs/dbraw/zinc/79/52/17/1038795217.db2.gz KOPMCFMOANQRCT-GJZGRUSLSA-N 1 2 346.475 3.805 20 0 EHADLO c1c(C[NH+]2CCC(OCC3CCCCC3)CC2)nnn1C1CCC1 ZINC000667564782 1038796717 /nfs/dbraw/zinc/79/67/17/1038796717.db2.gz ZVHJMUMFLPPZLR-UHFFFAOYSA-N 1 2 332.492 3.564 20 0 EHADLO COc1cccc2c1[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CC2 ZINC000431888518 1038796803 /nfs/dbraw/zinc/79/68/03/1038796803.db2.gz XLSGIKXTOOPPGG-OAHLLOKOSA-N 1 2 333.391 3.549 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1c[nH+]c2n1CCC2 ZINC000667568411 1038829526 /nfs/dbraw/zinc/82/95/26/1038829526.db2.gz CQWRQUOHJCUMDU-SFHVURJKSA-N 1 2 335.455 3.536 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000462213399 1038870042 /nfs/dbraw/zinc/87/00/42/1038870042.db2.gz XCLNOWXNRXFZIC-HOCLYGCPSA-N 1 2 335.517 3.715 20 0 EHADLO FC(F)(F)Cn1ccnc1CNc1[nH+]c2ccccc2n1CC1CC1 ZINC000905429396 1038891735 /nfs/dbraw/zinc/89/17/35/1038891735.db2.gz JDQMWGNUHRTHLG-UHFFFAOYSA-N 1 2 349.360 3.817 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000432715949 1038896424 /nfs/dbraw/zinc/89/64/24/1038896424.db2.gz HANYJDSWLJJYLR-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000432715949 1038896448 /nfs/dbraw/zinc/89/64/48/1038896448.db2.gz HANYJDSWLJJYLR-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668826066 1038908470 /nfs/dbraw/zinc/90/84/70/1038908470.db2.gz UHLCUTQPZCPYQR-IBGZPJMESA-N 1 2 348.393 3.613 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668826066 1038908490 /nfs/dbraw/zinc/90/84/90/1038908490.db2.gz UHLCUTQPZCPYQR-IBGZPJMESA-N 1 2 348.393 3.613 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000155470072 1038930513 /nfs/dbraw/zinc/93/05/13/1038930513.db2.gz SLYGEASPQHFASE-CRAIPNDOSA-N 1 2 325.456 3.904 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000155470208 1038930577 /nfs/dbraw/zinc/93/05/77/1038930577.db2.gz SLYGEASPQHFASE-MAUKXSAKSA-N 1 2 325.456 3.904 20 0 EHADLO Fc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(Cl)c1Cl ZINC000432728406 1038933747 /nfs/dbraw/zinc/93/37/47/1038933747.db2.gz YKWXCPJXTCUVHP-NEPJUHHUSA-N 1 2 336.259 3.839 20 0 EHADLO Fc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(Cl)c1Cl ZINC000432728406 1038933762 /nfs/dbraw/zinc/93/37/62/1038933762.db2.gz YKWXCPJXTCUVHP-NEPJUHHUSA-N 1 2 336.259 3.839 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1csc(Br)c1 ZINC000363919164 1038935858 /nfs/dbraw/zinc/93/58/58/1038935858.db2.gz GTMPDDWOVGPWNV-ZDUSSCGKSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1csc(Br)c1 ZINC000363919164 1038935873 /nfs/dbraw/zinc/93/58/73/1038935873.db2.gz GTMPDDWOVGPWNV-ZDUSSCGKSA-N 1 2 340.290 3.890 20 0 EHADLO CC(C)C1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000477830205 1038955862 /nfs/dbraw/zinc/95/58/62/1038955862.db2.gz WPSFJSFHJSFPKH-UHFFFAOYSA-N 1 2 344.503 3.696 20 0 EHADLO CCC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@@H]1CCCCO1 ZINC000488202519 1038960882 /nfs/dbraw/zinc/96/08/82/1038960882.db2.gz OAMWQFRGCCVZGH-KRWDZBQOSA-N 1 2 347.434 3.581 20 0 EHADLO CCC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@@H]1CCCCO1 ZINC000488202519 1038960885 /nfs/dbraw/zinc/96/08/85/1038960885.db2.gz OAMWQFRGCCVZGH-KRWDZBQOSA-N 1 2 347.434 3.581 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)s1 ZINC000668479395 1039037132 /nfs/dbraw/zinc/03/71/32/1039037132.db2.gz XLYUEUROKSOZLX-UHFFFAOYSA-N 1 2 327.515 3.698 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC3(CCCC3)CC2)s1 ZINC000668479395 1039037149 /nfs/dbraw/zinc/03/71/49/1039037149.db2.gz XLYUEUROKSOZLX-UHFFFAOYSA-N 1 2 327.515 3.698 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749950 1039038269 /nfs/dbraw/zinc/03/82/69/1039038269.db2.gz AWLCHIIQPUNALZ-SCZZXKLOSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749950 1039038285 /nfs/dbraw/zinc/03/82/85/1039038285.db2.gz AWLCHIIQPUNALZ-SCZZXKLOSA-N 1 2 333.297 3.655 20 0 EHADLO Cc1ccc([C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccc(F)cc2Cl)cc1 ZINC000480029753 1039055923 /nfs/dbraw/zinc/05/59/23/1039055923.db2.gz MJWWMWTTXZWLPE-QZTJIDSGSA-N 1 2 346.833 3.745 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000488293344 1039060089 /nfs/dbraw/zinc/06/00/89/1039060089.db2.gz KLRSLYRWRHKFGK-UHFFFAOYSA-N 1 2 349.434 3.548 20 0 EHADLO Fc1ccc(C2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)cc1F ZINC000667599211 1039061806 /nfs/dbraw/zinc/06/18/06/1039061806.db2.gz OQUNCYCCFJTRQP-UHFFFAOYSA-N 1 2 332.398 3.661 20 0 EHADLO CC(C)CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000512417616 1039083181 /nfs/dbraw/zinc/08/31/81/1039083181.db2.gz DLKURZIKCLORMV-QGZVFWFLSA-N 1 2 344.503 3.661 20 0 EHADLO CCN1CC[C@@H]1C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000905803030 1039110811 /nfs/dbraw/zinc/11/08/11/1039110811.db2.gz CEVRVEHKLYJUHW-MOPGFXCFSA-N 1 2 348.450 3.510 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000185528875 1039132884 /nfs/dbraw/zinc/13/28/84/1039132884.db2.gz ICTASLMDFTUZNN-FOCLMDBBSA-N 1 2 343.515 3.830 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000667274261 1039133807 /nfs/dbraw/zinc/13/38/07/1039133807.db2.gz DNUDPSLGNMPHAM-SFHVURJKSA-N 1 2 338.455 3.685 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000667274261 1039133818 /nfs/dbraw/zinc/13/38/18/1039133818.db2.gz DNUDPSLGNMPHAM-SFHVURJKSA-N 1 2 338.455 3.685 20 0 EHADLO Cc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)c(Br)c1 ZINC000432790814 1039195456 /nfs/dbraw/zinc/19/54/56/1039195456.db2.gz DDXXDLHYWNDJKB-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000552351138 1039219304 /nfs/dbraw/zinc/21/93/04/1039219304.db2.gz RDZVGRKOVFBQCR-KRWDZBQOSA-N 1 2 340.442 3.962 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473014688 1039222186 /nfs/dbraw/zinc/22/21/86/1039222186.db2.gz IOCOSOLYDBWVPJ-ILXVDBEPSA-N 1 2 338.492 3.555 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473014688 1039222206 /nfs/dbraw/zinc/22/22/06/1039222206.db2.gz IOCOSOLYDBWVPJ-ILXVDBEPSA-N 1 2 338.492 3.555 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2ccc(F)c(Br)c2)C1 ZINC000668511179 1039229085 /nfs/dbraw/zinc/22/90/85/1039229085.db2.gz CVKZAPTZDRVMGZ-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(-n2ccnn2)c1 ZINC000554372116 1039255961 /nfs/dbraw/zinc/25/59/61/1039255961.db2.gz HZJKWXGMBKASLP-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@H](C)c4cccnc4)CC3)[nH]c2c1 ZINC000667637562 1039299322 /nfs/dbraw/zinc/29/93/22/1039299322.db2.gz XSUORCQIGCWJQC-QGZVFWFLSA-N 1 2 334.467 3.750 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000554407905 1039313309 /nfs/dbraw/zinc/31/33/09/1039313309.db2.gz AXHCGPJGPXXGLJ-LJQANCHMSA-N 1 2 347.462 3.764 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595958 1039318776 /nfs/dbraw/zinc/31/87/76/1039318776.db2.gz RDNIBHTWKDWPHD-SCLBCKFNSA-N 1 2 332.875 3.876 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000511595958 1039318797 /nfs/dbraw/zinc/31/87/97/1039318797.db2.gz RDNIBHTWKDWPHD-SCLBCKFNSA-N 1 2 332.875 3.876 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000667642733 1039341569 /nfs/dbraw/zinc/34/15/69/1039341569.db2.gz IYJHJILPNASJTM-OAHLLOKOSA-N 1 2 341.402 3.729 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000667642733 1039341583 /nfs/dbraw/zinc/34/15/83/1039341583.db2.gz IYJHJILPNASJTM-OAHLLOKOSA-N 1 2 341.402 3.729 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)n1 ZINC000927139709 1039343004 /nfs/dbraw/zinc/34/30/04/1039343004.db2.gz KEZUXBOVEYFPLF-WDEREUQCSA-N 1 2 334.851 3.607 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000485670848 1039388054 /nfs/dbraw/zinc/38/80/54/1039388054.db2.gz RMIVTURIFCGDDB-GOSISDBHSA-N 1 2 348.516 3.596 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000485670848 1039388071 /nfs/dbraw/zinc/38/80/71/1039388071.db2.gz RMIVTURIFCGDDB-GOSISDBHSA-N 1 2 348.516 3.596 20 0 EHADLO c1c(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nnn1C1CC1 ZINC000906284299 1039437795 /nfs/dbraw/zinc/43/77/95/1039437795.db2.gz XAVRWDYESKMEOL-UHFFFAOYSA-N 1 2 345.450 3.840 20 0 EHADLO c1c(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nnn1C1CC1 ZINC000906284299 1039437816 /nfs/dbraw/zinc/43/78/16/1039437816.db2.gz XAVRWDYESKMEOL-UHFFFAOYSA-N 1 2 345.450 3.840 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)nn1 ZINC000906291175 1039453859 /nfs/dbraw/zinc/45/38/59/1039453859.db2.gz UCVWROYCDPUBLB-HXUWFJFHSA-N 1 2 340.471 3.718 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)nn1 ZINC000906291175 1039453867 /nfs/dbraw/zinc/45/38/67/1039453867.db2.gz UCVWROYCDPUBLB-HXUWFJFHSA-N 1 2 340.471 3.718 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2cccc(Cl)c2s1 ZINC000569122338 1039453967 /nfs/dbraw/zinc/45/39/67/1039453967.db2.gz FZKIJFQJHJIIGY-UHFFFAOYSA-N 1 2 333.844 3.914 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542467 1039458885 /nfs/dbraw/zinc/45/88/85/1039458885.db2.gz VXVYGENEQUPNHA-HNNXBMFYSA-N 1 2 341.459 3.807 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000554556789 1039471005 /nfs/dbraw/zinc/47/10/05/1039471005.db2.gz XZCVOVLOCUOXOC-RHSMWYFYSA-N 1 2 342.491 3.899 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1cccc(Cl)c1 ZINC000488927815 1039476341 /nfs/dbraw/zinc/47/63/41/1039476341.db2.gz YNGYQFIWDLMEHV-HNNXBMFYSA-N 1 2 346.793 3.597 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)C2 ZINC000554579888 1039506260 /nfs/dbraw/zinc/50/62/60/1039506260.db2.gz NFWQLVBQQHNSBC-OLZOCXBDSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)CC2 ZINC000554579888 1039506269 /nfs/dbraw/zinc/50/62/69/1039506269.db2.gz NFWQLVBQQHNSBC-OLZOCXBDSA-N 1 2 339.430 3.580 20 0 EHADLO Cc1ccccc1OCc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923926686 1039517590 /nfs/dbraw/zinc/51/75/90/1039517590.db2.gz CVMUOGWAEJHEEM-HNNXBMFYSA-N 1 2 326.400 3.789 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(C)s2)ccc1OC(F)F ZINC000552812208 1039531081 /nfs/dbraw/zinc/53/10/81/1039531081.db2.gz YYHXVHGLCJXJKJ-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(C)s2)ccc1OC(F)F ZINC000552812208 1039531095 /nfs/dbraw/zinc/53/10/95/1039531095.db2.gz YYHXVHGLCJXJKJ-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)[C@@H](C)[C@@H](C)O1 ZINC000488994963 1039531173 /nfs/dbraw/zinc/53/11/73/1039531173.db2.gz HGIFDVKSFIDJBQ-IXDOHACOSA-N 1 2 326.440 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@@H](C)[C@@H](C)O1 ZINC000488994963 1039531186 /nfs/dbraw/zinc/53/11/86/1039531186.db2.gz HGIFDVKSFIDJBQ-IXDOHACOSA-N 1 2 326.440 3.658 20 0 EHADLO CCOC(=O)c1csc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)n1 ZINC000432849787 1039544737 /nfs/dbraw/zinc/54/47/37/1039544737.db2.gz GOSYCKLRWWQNGG-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c(F)cccc3NC(C)C)[nH+]c12 ZINC000911933850 1039603090 /nfs/dbraw/zinc/60/30/90/1039603090.db2.gz KAZXWGGBOXNCJI-UHFFFAOYSA-N 1 2 340.402 3.783 20 0 EHADLO O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000480506600 1039619311 /nfs/dbraw/zinc/61/93/11/1039619311.db2.gz WHFQWOZHTIDUDD-UHFFFAOYSA-N 1 2 347.418 3.769 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)s1 ZINC000279954547 1039627618 /nfs/dbraw/zinc/62/76/18/1039627618.db2.gz BYPWIXOHPKLVFU-JTQLQIEISA-N 1 2 345.436 3.671 20 0 EHADLO Cc1sc(NC(=O)C[C@@H]([NH3+])C(F)F)nc1-c1cccc(Cl)c1 ZINC000912001928 1039630340 /nfs/dbraw/zinc/63/03/40/1039630340.db2.gz VNHHKBYEOYWRNL-SNVBAGLBSA-N 1 2 345.802 3.693 20 0 EHADLO C[C@@H](CC1CCCCC1)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663847029 1039633531 /nfs/dbraw/zinc/63/35/31/1039633531.db2.gz PWBBXOZIJJKODZ-HNNXBMFYSA-N 1 2 332.492 3.599 20 0 EHADLO C[C@@H](CC1CCCCC1)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663847029 1039633537 /nfs/dbraw/zinc/63/35/37/1039633537.db2.gz PWBBXOZIJJKODZ-HNNXBMFYSA-N 1 2 332.492 3.599 20 0 EHADLO Cn1cnn(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S ZINC000024754851 1039684535 /nfs/dbraw/zinc/68/45/35/1039684535.db2.gz YGKNBKPOVWJWMU-SFHVURJKSA-N 1 2 336.464 3.556 20 0 EHADLO Cn1cnn(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S ZINC000024754851 1039684542 /nfs/dbraw/zinc/68/45/42/1039684542.db2.gz YGKNBKPOVWJWMU-SFHVURJKSA-N 1 2 336.464 3.556 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904546 1039691033 /nfs/dbraw/zinc/69/10/33/1039691033.db2.gz HKVNNYAMTVBMKP-QZTJIDSGSA-N 1 2 349.519 3.890 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H]2SCCc3ccccc32)c(C)[nH+]1 ZINC000906914205 1039809654 /nfs/dbraw/zinc/80/96/54/1039809654.db2.gz KVHBPFCOSOBHHO-QGZVFWFLSA-N 1 2 326.465 3.767 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662214 1039877568 /nfs/dbraw/zinc/87/75/68/1039877568.db2.gz JLKNSMWIMKILEY-XOBRGWDASA-N 1 2 338.430 3.957 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000553224958 1039891567 /nfs/dbraw/zinc/89/15/67/1039891567.db2.gz YIIGOYBPBNUVGT-OAHLLOKOSA-N 1 2 328.460 3.643 20 0 EHADLO Cc1ccnc(N)c1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000893969328 1039901150 /nfs/dbraw/zinc/90/11/50/1039901150.db2.gz LIPYOZQCFMSVFQ-AOOOYVTPSA-N 1 2 341.299 3.535 20 0 EHADLO Cc1ccnc(N)c1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000893969328 1039901164 /nfs/dbraw/zinc/90/11/64/1039901164.db2.gz LIPYOZQCFMSVFQ-AOOOYVTPSA-N 1 2 341.299 3.535 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)o1 ZINC000011216663 1039916365 /nfs/dbraw/zinc/91/63/65/1039916365.db2.gz KOKWPRQZDKOGLF-LBPRGKRZSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)o1 ZINC000011216663 1039916377 /nfs/dbraw/zinc/91/63/77/1039916377.db2.gz KOKWPRQZDKOGLF-LBPRGKRZSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cnc(F)cc3C)n2)ccc1F ZINC000893979172 1039917929 /nfs/dbraw/zinc/91/79/29/1039917929.db2.gz GYMKCUOSDGGWIP-GFCCVEGCSA-N 1 2 344.365 3.877 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000153363095 1039954589 /nfs/dbraw/zinc/95/45/89/1039954589.db2.gz FSXBJZSBNHUVCA-LBPRGKRZSA-N 1 2 340.427 3.623 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000153363095 1039954595 /nfs/dbraw/zinc/95/45/95/1039954595.db2.gz FSXBJZSBNHUVCA-LBPRGKRZSA-N 1 2 340.427 3.623 20 0 EHADLO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907208092 1039955361 /nfs/dbraw/zinc/95/53/61/1039955361.db2.gz VLESUYZBMUMYRV-KSSFIOAISA-N 1 2 330.403 3.652 20 0 EHADLO Clc1ccccc1CCCc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923897556 1039958749 /nfs/dbraw/zinc/95/87/49/1039958749.db2.gz JVQFSJXGESFTTA-CHWSQXEVSA-N 1 2 328.803 3.893 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cccc(OC(C)(C)C)n2)c(C)[nH+]1 ZINC000907189917 1039962984 /nfs/dbraw/zinc/96/29/84/1039962984.db2.gz LDFQSJOCSLTWNR-UHFFFAOYSA-N 1 2 327.428 3.509 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CCC1(F)F ZINC000554946692 1039968732 /nfs/dbraw/zinc/96/87/32/1039968732.db2.gz WAIXPLVQFQQLLR-NSHDSACASA-N 1 2 327.325 3.628 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CCC1(F)F ZINC000554946692 1039968744 /nfs/dbraw/zinc/96/87/44/1039968744.db2.gz WAIXPLVQFQQLLR-NSHDSACASA-N 1 2 327.325 3.628 20 0 EHADLO Cc1c(NC(=O)NCCCCNc2cccc[nH+]2)ccc(F)c1F ZINC000417546382 1039977689 /nfs/dbraw/zinc/97/76/89/1039977689.db2.gz ZGNFOYXCNZKXLP-UHFFFAOYSA-N 1 2 334.370 3.682 20 0 EHADLO Cc1cc(OCC(=O)NCc2cccc(Cl)c2)c2ccccc2[nH+]1 ZINC000486222870 1039983687 /nfs/dbraw/zinc/98/36/87/1039983687.db2.gz ZDGDBQSBJSWZIO-UHFFFAOYSA-N 1 2 340.810 3.892 20 0 EHADLO Cc1cc(OCC(=O)N2CCCc3ccccc32)c2ccccc2[nH+]1 ZINC000486229296 1039998988 /nfs/dbraw/zinc/99/89/88/1039998988.db2.gz QNIFMCQESDZUAO-UHFFFAOYSA-N 1 2 332.403 3.901 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000554960358 1039999010 /nfs/dbraw/zinc/99/90/10/1039999010.db2.gz MWKOAZPOIZWHLX-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000554960358 1039999023 /nfs/dbraw/zinc/99/90/23/1039999023.db2.gz MWKOAZPOIZWHLX-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO COc1cccc(COc2ccc(C[N@H+](C)Cc3ccon3)cc2)c1 ZINC000894038595 1039999555 /nfs/dbraw/zinc/99/95/55/1039999555.db2.gz DYYGXNFPGTWVMU-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO COc1cccc(COc2ccc(C[N@@H+](C)Cc3ccon3)cc2)c1 ZINC000894038595 1039999562 /nfs/dbraw/zinc/99/95/62/1039999562.db2.gz DYYGXNFPGTWVMU-UHFFFAOYSA-N 1 2 338.407 3.894 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000907358231 1040025279 /nfs/dbraw/zinc/02/52/79/1040025279.db2.gz GXZFQRASGWJCCG-ROUUACIJSA-N 1 2 342.414 3.796 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000553406681 1040047869 /nfs/dbraw/zinc/04/78/69/1040047869.db2.gz ISRDEMFKXTZVSO-GOSISDBHSA-N 1 2 347.409 3.642 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000899120601 1040051581 /nfs/dbraw/zinc/05/15/81/1040051581.db2.gz LSSSXMNQSTUTJU-FBPKSFCNSA-N 1 2 327.472 3.747 20 0 EHADLO COC[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccc(Cl)cc1 ZINC000894091152 1040070497 /nfs/dbraw/zinc/07/04/97/1040070497.db2.gz ZGBSOLNNFKHZDW-ZDUSSCGKSA-N 1 2 328.243 3.513 20 0 EHADLO CCC[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000553459467 1040087841 /nfs/dbraw/zinc/08/78/41/1040087841.db2.gz PTDKYODFNIBHRS-OAHLLOKOSA-N 1 2 339.483 3.921 20 0 EHADLO CCC[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000553459467 1040087858 /nfs/dbraw/zinc/08/78/58/1040087858.db2.gz PTDKYODFNIBHRS-OAHLLOKOSA-N 1 2 339.483 3.921 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c[nH+]1 ZINC000907728954 1040148252 /nfs/dbraw/zinc/14/82/52/1040148252.db2.gz ZRQQIDZKRWJHCH-UHFFFAOYSA-N 1 2 345.491 3.931 20 0 EHADLO C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCO1 ZINC000907773965 1040163850 /nfs/dbraw/zinc/16/38/50/1040163850.db2.gz VQFXHYRGSIOTQQ-KSSFIOAISA-N 1 2 339.439 3.640 20 0 EHADLO CC(=O)[C@@H](C)CCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000489744449 1040169398 /nfs/dbraw/zinc/16/93/98/1040169398.db2.gz LURSVJBQBHZQOZ-AWEZNQCLSA-N 1 2 338.411 3.860 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660266137 1040170831 /nfs/dbraw/zinc/17/08/31/1040170831.db2.gz RPRDQKLTJIKQDT-OAHLLOKOSA-N 1 2 342.487 3.987 20 0 EHADLO CC1=C(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000907815855 1040184433 /nfs/dbraw/zinc/18/44/33/1040184433.db2.gz NITPRXYICBIMMS-HNNXBMFYSA-N 1 2 327.472 3.931 20 0 EHADLO CC1=C(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000907815855 1040184440 /nfs/dbraw/zinc/18/44/40/1040184440.db2.gz NITPRXYICBIMMS-HNNXBMFYSA-N 1 2 327.472 3.931 20 0 EHADLO Fc1ccccc1-c1csc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000555118323 1040185409 /nfs/dbraw/zinc/18/54/09/1040185409.db2.gz KOBZAJYONGFPDC-UHFFFAOYSA-N 1 2 340.427 3.671 20 0 EHADLO Cn1ccc(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000479406086 1040214144 /nfs/dbraw/zinc/21/41/44/1040214144.db2.gz IJGOKIWZMXWKSA-OAHLLOKOSA-N 1 2 338.224 3.563 20 0 EHADLO CN(C)[C@H](C[NH2+]Cc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000893319632 1040230638 /nfs/dbraw/zinc/23/06/38/1040230638.db2.gz JASIOBOYCRAASU-CYBMUJFWSA-N 1 2 329.391 3.554 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC23CCC3)c(I)c1 ZINC000417788633 1040236461 /nfs/dbraw/zinc/23/64/61/1040236461.db2.gz IJNDYZIAZIVSAY-UHFFFAOYSA-N 1 2 331.172 3.559 20 0 EHADLO Fc1ccc(C[N@H+]2CCC23CCC3)c(I)c1 ZINC000417788633 1040236474 /nfs/dbraw/zinc/23/64/74/1040236474.db2.gz IJNDYZIAZIVSAY-UHFFFAOYSA-N 1 2 331.172 3.559 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1c(C2CCC2)cnn1C ZINC000667488661 1040239182 /nfs/dbraw/zinc/23/91/82/1040239182.db2.gz NWBYWAFBZNWQKS-UHFFFAOYSA-N 1 2 333.863 3.982 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000667488661 1040239199 /nfs/dbraw/zinc/23/91/99/1040239199.db2.gz NWBYWAFBZNWQKS-UHFFFAOYSA-N 1 2 333.863 3.982 20 0 EHADLO CCc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000486567187 1040251215 /nfs/dbraw/zinc/25/12/15/1040251215.db2.gz PGZFEFROSLJQFK-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC(N2CCc3ccccc32)CC1 ZINC000663876099 1040258900 /nfs/dbraw/zinc/25/89/00/1040258900.db2.gz KRUKHELFLVJAEN-UHFFFAOYSA-N 1 2 344.462 3.849 20 0 EHADLO COc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1F ZINC000923817552 1040267948 /nfs/dbraw/zinc/26/79/48/1040267948.db2.gz HZQLATJIONXCMU-AWEZNQCLSA-N 1 2 330.363 3.716 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000479479794 1040277597 /nfs/dbraw/zinc/27/75/97/1040277597.db2.gz ZVVFEQWNJNUYOL-WKILWMFISA-N 1 2 345.512 3.961 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246296183 1040299972 /nfs/dbraw/zinc/29/99/72/1040299972.db2.gz CYSMPJNISPOGGH-TZMCWYRMSA-N 1 2 331.485 3.630 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246296183 1040299987 /nfs/dbraw/zinc/29/99/87/1040299987.db2.gz CYSMPJNISPOGGH-TZMCWYRMSA-N 1 2 331.485 3.630 20 0 EHADLO COc1cccc([C@H]([NH2+]Cc2cncn2C)c2ccccc2Cl)c1 ZINC000174458633 1040318411 /nfs/dbraw/zinc/31/84/11/1040318411.db2.gz CQWNTYXHEZLIER-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO CC(C)[N@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1F ZINC000667505496 1040326008 /nfs/dbraw/zinc/32/60/08/1040326008.db2.gz QVNKNIUBCRYDNV-UHFFFAOYSA-N 1 2 329.341 3.989 20 0 EHADLO CC(C)[N@@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1F ZINC000667505496 1040326024 /nfs/dbraw/zinc/32/60/24/1040326024.db2.gz QVNKNIUBCRYDNV-UHFFFAOYSA-N 1 2 329.341 3.989 20 0 EHADLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000481073464 1040336298 /nfs/dbraw/zinc/33/62/98/1040336298.db2.gz PHKCGEGRUYNHNO-HZPDHXFCSA-N 1 2 346.519 3.666 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)CC(C)C)c1 ZINC000644991793 1040344134 /nfs/dbraw/zinc/34/41/34/1040344134.db2.gz AELQWOZJKYAORL-UHFFFAOYSA-N 1 2 330.476 3.769 20 0 EHADLO COc1cccc(C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)CC(C)C)c1 ZINC000644991793 1040344150 /nfs/dbraw/zinc/34/41/50/1040344150.db2.gz AELQWOZJKYAORL-UHFFFAOYSA-N 1 2 330.476 3.769 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(OC)c(OC)c1C ZINC000490091289 1040350800 /nfs/dbraw/zinc/35/08/00/1040350800.db2.gz WQXPMHSMJMUAHE-UHFFFAOYSA-N 1 2 343.402 3.555 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000490093528 1040354113 /nfs/dbraw/zinc/35/41/13/1040354113.db2.gz PHHSIMWOTAGAFP-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000490093528 1040354126 /nfs/dbraw/zinc/35/41/26/1040354126.db2.gz PHHSIMWOTAGAFP-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc2c1ccn2C(F)F ZINC000667511403 1040358963 /nfs/dbraw/zinc/35/89/63/1040358963.db2.gz LQJAOXNXHZFQGN-UHFFFAOYSA-N 1 2 347.369 3.787 20 0 EHADLO CSc1ccccc1C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432985976 1040372738 /nfs/dbraw/zinc/37/27/38/1040372738.db2.gz PJRHSCDIQCXYNB-SNVBAGLBSA-N 1 2 338.274 3.812 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccco3)n21 ZINC000668673066 1040389747 /nfs/dbraw/zinc/38/97/47/1040389747.db2.gz GZXAQGYLSOVQPU-LJQANCHMSA-N 1 2 337.423 3.589 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccco3)n21 ZINC000668673066 1040389761 /nfs/dbraw/zinc/38/97/61/1040389761.db2.gz GZXAQGYLSOVQPU-LJQANCHMSA-N 1 2 337.423 3.589 20 0 EHADLO O=C(c1c(Cl)oc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000651462431 1040412278 /nfs/dbraw/zinc/41/22/78/1040412278.db2.gz ZXISUHCGDXQTPV-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO O=C(c1c(Cl)oc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000651462431 1040412293 /nfs/dbraw/zinc/41/22/93/1040412293.db2.gz ZXISUHCGDXQTPV-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230452 1040412887 /nfs/dbraw/zinc/41/28/87/1040412887.db2.gz NXNPJYJGTJDPAY-JCURWCKSSA-N 1 2 339.430 3.540 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230452 1040412895 /nfs/dbraw/zinc/41/28/95/1040412895.db2.gz NXNPJYJGTJDPAY-JCURWCKSSA-N 1 2 339.430 3.540 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000479604302 1040422591 /nfs/dbraw/zinc/42/25/91/1040422591.db2.gz MRRPLEQTRLRQLZ-AQEOSJORSA-N 1 2 332.492 3.690 20 0 EHADLO CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000486765740 1040423319 /nfs/dbraw/zinc/42/33/19/1040423319.db2.gz YCAUNUKCGADCAE-GOSISDBHSA-N 1 2 335.407 3.977 20 0 EHADLO CCCc1c(NCc2c[nH+]cn2CC)cnn1-c1cccc(F)c1 ZINC000418007704 1040434429 /nfs/dbraw/zinc/43/44/29/1040434429.db2.gz QOXGTQXMRLZXKB-UHFFFAOYSA-N 1 2 327.407 3.792 20 0 EHADLO CCn1c[nH+]cc1CN(C)Cc1ccc(Br)cc1Cl ZINC000418043763 1040497838 /nfs/dbraw/zinc/49/78/38/1040497838.db2.gz ZGYMJYKBAZTDHN-UHFFFAOYSA-N 1 2 342.668 3.951 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ccc(F)c(F)c2)n1 ZINC000152179732 1040510054 /nfs/dbraw/zinc/51/00/54/1040510054.db2.gz GZTSLUMBCBARGP-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ccc(F)c(F)c2)n1 ZINC000152179732 1040510081 /nfs/dbraw/zinc/51/00/81/1040510081.db2.gz GZTSLUMBCBARGP-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO CC(C)C1(c2ccccc2)CN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000668708300 1040544786 /nfs/dbraw/zinc/54/47/86/1040544786.db2.gz DOPQWQHVWAORFZ-UHFFFAOYSA-N 1 2 334.423 3.776 20 0 EHADLO CCO[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000486920505 1040553246 /nfs/dbraw/zinc/55/32/46/1040553246.db2.gz NMYJLVDHKCGPDU-FQEVSTJZSA-N 1 2 349.434 3.688 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000418078056 1040554048 /nfs/dbraw/zinc/55/40/48/1040554048.db2.gz NDLCMJLPSCTDFP-UHFFFAOYSA-N 1 2 346.833 3.739 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000418078056 1040554061 /nfs/dbraw/zinc/55/40/61/1040554061.db2.gz NDLCMJLPSCTDFP-UHFFFAOYSA-N 1 2 346.833 3.739 20 0 EHADLO CC(C)=CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479727853 1040557674 /nfs/dbraw/zinc/55/76/74/1040557674.db2.gz CQBHMOUQKSTTJX-IBGZPJMESA-N 1 2 340.471 3.897 20 0 EHADLO CC/C(=C/C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000151090335 1040565288 /nfs/dbraw/zinc/56/52/88/1040565288.db2.gz RTILJEKYTIGIOX-VLGSPTGOSA-N 1 2 349.478 3.969 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000486934026 1040567133 /nfs/dbraw/zinc/56/71/33/1040567133.db2.gz YASCWZHABHNOPO-AEFFLSMTSA-N 1 2 332.492 3.806 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC000418097414 1040576163 /nfs/dbraw/zinc/57/61/63/1040576163.db2.gz NPGMJSPJKKUFNJ-CQSZACIVSA-N 1 2 338.423 3.775 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC000418097414 1040576175 /nfs/dbraw/zinc/57/61/75/1040576175.db2.gz NPGMJSPJKKUFNJ-CQSZACIVSA-N 1 2 338.423 3.775 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667547493 1040578764 /nfs/dbraw/zinc/57/87/64/1040578764.db2.gz NNVDUDQBMMORAE-CQSZACIVSA-N 1 2 339.361 3.733 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000667858162 1040590090 /nfs/dbraw/zinc/59/00/90/1040590090.db2.gz GZSMENZOULTJMK-KRWDZBQOSA-N 1 2 336.439 3.791 20 0 EHADLO CCc1ccc(C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cc1 ZINC000629411686 1040594906 /nfs/dbraw/zinc/59/49/06/1040594906.db2.gz OWMJKDPCSGXUEI-UHFFFAOYSA-N 1 2 325.456 3.656 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)n1 ZINC000600106166 1040650954 /nfs/dbraw/zinc/65/09/54/1040650954.db2.gz BKBRECFCMXSYCV-UHFFFAOYSA-N 1 2 348.830 3.552 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)n1 ZINC000600106166 1040650964 /nfs/dbraw/zinc/65/09/64/1040650964.db2.gz BKBRECFCMXSYCV-UHFFFAOYSA-N 1 2 348.830 3.552 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)ccc1C ZINC000433079893 1040679829 /nfs/dbraw/zinc/67/98/29/1040679829.db2.gz ZIPPGIZJHPTZAJ-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)ccc1C ZINC000433079893 1040679843 /nfs/dbraw/zinc/67/98/43/1040679843.db2.gz ZIPPGIZJHPTZAJ-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO CC(C)OCc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000364296754 1040718481 /nfs/dbraw/zinc/71/84/81/1040718481.db2.gz PLIPMGHKXQRWNJ-UHFFFAOYSA-N 1 2 342.443 3.746 20 0 EHADLO CC(C)OCc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000364296754 1040718494 /nfs/dbraw/zinc/71/84/94/1040718494.db2.gz PLIPMGHKXQRWNJ-UHFFFAOYSA-N 1 2 342.443 3.746 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000500209087 1040726537 /nfs/dbraw/zinc/72/65/37/1040726537.db2.gz XFKDKAMSKDGWNN-HZPDHXFCSA-N 1 2 332.492 3.788 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@H]21 ZINC000248430692 1040760205 /nfs/dbraw/zinc/76/02/05/1040760205.db2.gz PWQPOQWFTMJEFM-AYOQOUSVSA-N 1 2 338.455 3.592 20 0 EHADLO CCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000490842938 1040778264 /nfs/dbraw/zinc/77/82/64/1040778264.db2.gz NMGRXWWXNHWKAD-OAHLLOKOSA-N 1 2 344.846 3.698 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C2CC2)o1 ZINC000613740647 1040786327 /nfs/dbraw/zinc/78/63/27/1040786327.db2.gz HPTKBOJSMZEYDJ-UHFFFAOYSA-N 1 2 338.451 3.748 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C2CC2)o1 ZINC000613740647 1040786342 /nfs/dbraw/zinc/78/63/42/1040786342.db2.gz HPTKBOJSMZEYDJ-UHFFFAOYSA-N 1 2 338.451 3.748 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660371009 1040817701 /nfs/dbraw/zinc/81/77/01/1040817701.db2.gz NVTFDWBHHSYWDB-AWEZNQCLSA-N 1 2 330.375 3.840 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660371009 1040817713 /nfs/dbraw/zinc/81/77/13/1040817713.db2.gz NVTFDWBHHSYWDB-AWEZNQCLSA-N 1 2 330.375 3.840 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)cc2c1 ZINC000668768079 1040854077 /nfs/dbraw/zinc/85/40/77/1040854077.db2.gz NBSKIEBYXSEPEK-ABAIWWIYSA-N 1 2 343.345 3.983 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)cc2c1 ZINC000668768079 1040854089 /nfs/dbraw/zinc/85/40/89/1040854089.db2.gz NBSKIEBYXSEPEK-ABAIWWIYSA-N 1 2 343.345 3.983 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccncc3s2)C[C@@H](CC(F)(F)F)O1 ZINC000668768751 1040856090 /nfs/dbraw/zinc/85/60/90/1040856090.db2.gz QWPGYGDGOVTJGB-ZYHUDNBSSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccncc3s2)C[C@@H](CC(F)(F)F)O1 ZINC000668768751 1040856101 /nfs/dbraw/zinc/85/61/01/1040856101.db2.gz QWPGYGDGOVTJGB-ZYHUDNBSSA-N 1 2 330.375 3.838 20 0 EHADLO CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000487279434 1040874114 /nfs/dbraw/zinc/87/41/14/1040874114.db2.gz WAOUNCSOTGOESB-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000487279434 1040874129 /nfs/dbraw/zinc/87/41/29/1040874129.db2.gz WAOUNCSOTGOESB-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411495017 1040926905 /nfs/dbraw/zinc/92/69/05/1040926905.db2.gz KGBRWLRPDMZKTE-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411495017 1040926927 /nfs/dbraw/zinc/92/69/27/1040926927.db2.gz KGBRWLRPDMZKTE-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448660472 1040935557 /nfs/dbraw/zinc/93/55/57/1040935557.db2.gz IFWRQIQENWIHOD-RBUKOAKNSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151450175 1040936207 /nfs/dbraw/zinc/93/62/07/1040936207.db2.gz IILDVLHFGAYQFB-ICSRJNTNSA-N 1 2 337.467 3.883 20 0 EHADLO CCN(C(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000667889388 1040956232 /nfs/dbraw/zinc/95/62/32/1040956232.db2.gz KIGQURLVZXLYKI-UHFFFAOYSA-N 1 2 325.334 3.735 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494541 1040973840 /nfs/dbraw/zinc/97/38/40/1040973840.db2.gz CEIMVXNILUUMBB-SGTLLEGYSA-N 1 2 331.456 3.588 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494541 1040973820 /nfs/dbraw/zinc/97/38/20/1040973820.db2.gz CEIMVXNILUUMBB-SGTLLEGYSA-N 1 2 331.456 3.588 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3csc(N(C)C4CC4)n3)CC2)s1 ZINC000433169285 1040974474 /nfs/dbraw/zinc/97/44/74/1040974474.db2.gz WJIXILURNNDTSY-UHFFFAOYSA-N 1 2 348.541 3.886 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000054730006 1040983494 /nfs/dbraw/zinc/98/34/94/1040983494.db2.gz AJYBFCLANLOLMX-CQSZACIVSA-N 1 2 344.484 3.612 20 0 EHADLO Cc1[nH+]c2cc(OCC(=O)N(c3ccccc3)C(C)C)ccc2n1C ZINC000664052931 1041000121 /nfs/dbraw/zinc/00/01/21/1041000121.db2.gz HLEOGHCVYYTLEJ-UHFFFAOYSA-N 1 2 337.423 3.702 20 0 EHADLO Cc1cc(NC(=O)CCOc2ccccc2-c2ccccc2)cc[nH+]1 ZINC000500317117 1041033473 /nfs/dbraw/zinc/03/34/73/1041033473.db2.gz OIMTURCDHJOPKI-UHFFFAOYSA-N 1 2 332.403 3.887 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000481541410 1041039171 /nfs/dbraw/zinc/03/91/71/1041039171.db2.gz JWWVDMWFYBXXOM-KESTWPANSA-N 1 2 349.409 3.747 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487693057 1041048178 /nfs/dbraw/zinc/04/81/78/1041048178.db2.gz JCIMNBARCDZUDN-SFHVURJKSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(C)c3ccccc3c2=O)c1 ZINC000055033942 1041099935 /nfs/dbraw/zinc/09/99/35/1041099935.db2.gz OFXLKMMZFLGUOM-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(C)c3ccccc3c2=O)c1 ZINC000055033942 1041099953 /nfs/dbraw/zinc/09/99/53/1041099953.db2.gz OFXLKMMZFLGUOM-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)C2 ZINC000364391398 1041111337 /nfs/dbraw/zinc/11/13/37/1041111337.db2.gz ZQOHIMGETUJQJR-HOCLYGCPSA-N 1 2 325.456 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000364391398 1041111341 /nfs/dbraw/zinc/11/13/41/1041111341.db2.gz ZQOHIMGETUJQJR-HOCLYGCPSA-N 1 2 325.456 3.858 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cn2c3ccccc3n(C)c2=S)on1 ZINC000047272330 1041115479 /nfs/dbraw/zinc/11/54/79/1041115479.db2.gz CBTRTICNRIOFGX-HNNXBMFYSA-N 1 2 328.441 3.800 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2c3ccccc3n(C)c2=S)on1 ZINC000047272330 1041115485 /nfs/dbraw/zinc/11/54/85/1041115485.db2.gz CBTRTICNRIOFGX-HNNXBMFYSA-N 1 2 328.441 3.800 20 0 EHADLO CCOC(=O)C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001167759417 1041140755 /nfs/dbraw/zinc/14/07/55/1041140755.db2.gz CYLVBYNQJGMOAE-AWEZNQCLSA-N 1 2 348.270 3.690 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001167759417 1041140762 /nfs/dbraw/zinc/14/07/62/1041140762.db2.gz CYLVBYNQJGMOAE-AWEZNQCLSA-N 1 2 348.270 3.690 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](c4cc(C)cc(C)c4)C3)ccn12 ZINC000569939153 1041212902 /nfs/dbraw/zinc/21/29/02/1041212902.db2.gz KKCLBDWEUKIKPV-GOSISDBHSA-N 1 2 333.435 3.889 20 0 EHADLO CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1occc1C ZINC000412026311 1041214495 /nfs/dbraw/zinc/21/44/95/1041214495.db2.gz LHAMAXRWXWJRFN-UHFFFAOYSA-N 1 2 345.424 3.765 20 0 EHADLO CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1occc1C ZINC000412026311 1041214511 /nfs/dbraw/zinc/21/45/11/1041214511.db2.gz LHAMAXRWXWJRFN-UHFFFAOYSA-N 1 2 345.424 3.765 20 0 EHADLO CC(C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000412009256 1041219372 /nfs/dbraw/zinc/21/93/72/1041219372.db2.gz MBOWITNENLKJFJ-GOSISDBHSA-N 1 2 343.471 3.967 20 0 EHADLO Clc1cccc([C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)c1 ZINC000433299516 1041238388 /nfs/dbraw/zinc/23/83/88/1041238388.db2.gz RDFXAYIJJSUGOW-HNNXBMFYSA-N 1 2 330.863 3.647 20 0 EHADLO Clc1cccc([C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)c1 ZINC000433299516 1041238404 /nfs/dbraw/zinc/23/84/04/1041238404.db2.gz RDFXAYIJJSUGOW-HNNXBMFYSA-N 1 2 330.863 3.647 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2c(c1)OCO2 ZINC000433307782 1041266398 /nfs/dbraw/zinc/26/63/98/1041266398.db2.gz WIPQWQFWZJMUGI-QMMMGPOBSA-N 1 2 330.331 3.741 20 0 EHADLO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000194723188 1041317280 /nfs/dbraw/zinc/31/72/80/1041317280.db2.gz VHZMIBFJZFYIBH-UHFFFAOYSA-N 1 2 339.351 3.550 20 0 EHADLO O=[N+]([O-])c1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000194723188 1041317291 /nfs/dbraw/zinc/31/72/91/1041317291.db2.gz VHZMIBFJZFYIBH-UHFFFAOYSA-N 1 2 339.351 3.550 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000678222056 1041321971 /nfs/dbraw/zinc/32/19/71/1041321971.db2.gz FNUJWOOCVJLZHS-UHFFFAOYSA-N 1 2 334.411 3.997 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000678222056 1041321988 /nfs/dbraw/zinc/32/19/88/1041321988.db2.gz FNUJWOOCVJLZHS-UHFFFAOYSA-N 1 2 334.411 3.997 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000660437462 1041365140 /nfs/dbraw/zinc/36/51/40/1041365140.db2.gz ZDHCMPJCMSTOJI-GOSISDBHSA-N 1 2 340.471 3.827 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CC(F)(F)F ZINC000419329390 1041373905 /nfs/dbraw/zinc/37/39/05/1041373905.db2.gz GGZIDAWTJQWGAZ-MFKMUULPSA-N 1 2 337.769 3.602 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](C)[C@@H](C)[C@H]3C)s2)cc1 ZINC000419337704 1041413383 /nfs/dbraw/zinc/41/33/83/1041413383.db2.gz BNBFSGFJJQIBCP-BFHYXJOUSA-N 1 2 344.484 3.575 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](C)[C@@H](C)[C@H]3C)s2)cc1 ZINC000419337704 1041413391 /nfs/dbraw/zinc/41/33/91/1041413391.db2.gz BNBFSGFJJQIBCP-BFHYXJOUSA-N 1 2 344.484 3.575 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1cc(-c2ccccc2)ccc1Cl ZINC000110176371 1041517189 /nfs/dbraw/zinc/51/71/89/1041517189.db2.gz ZBSAJAMGQLPEQE-UHFFFAOYSA-N 1 2 325.799 3.634 20 0 EHADLO CCc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043402549 1041539782 /nfs/dbraw/zinc/53/97/82/1041539782.db2.gz IEEPQWUKHWMSRV-UHFFFAOYSA-N 1 2 348.450 3.858 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000660478385 1041545670 /nfs/dbraw/zinc/54/56/70/1041545670.db2.gz BDYGRKUCXTVQFY-CQSZACIVSA-N 1 2 349.228 3.928 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@H](F)c3ccccc3F)CC2)[nH]1 ZINC000660532094 1041639543 /nfs/dbraw/zinc/63/95/43/1041639543.db2.gz CBDYYLMKVBPTCG-PXAZEXFGSA-N 1 2 334.414 3.990 20 0 EHADLO CC[N@H+](Cc1ncsc1Br)[C@@H]1CCOC(C)(C)C1 ZINC000660563967 1041674466 /nfs/dbraw/zinc/67/44/66/1041674466.db2.gz QAOWQVTZVCLKHL-SNVBAGLBSA-N 1 2 333.295 3.685 20 0 EHADLO CC[N@@H+](Cc1ncsc1Br)[C@@H]1CCOC(C)(C)C1 ZINC000660563967 1041674470 /nfs/dbraw/zinc/67/44/70/1041674470.db2.gz QAOWQVTZVCLKHL-SNVBAGLBSA-N 1 2 333.295 3.685 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000893403507 1041734263 /nfs/dbraw/zinc/73/42/63/1041734263.db2.gz SEHVONRCHMXTAS-AWEZNQCLSA-N 1 2 340.489 3.952 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000893403507 1041734269 /nfs/dbraw/zinc/73/42/69/1041734269.db2.gz SEHVONRCHMXTAS-AWEZNQCLSA-N 1 2 340.489 3.952 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@@H+](C)CC2=CCCOC2)cs1 ZINC000661656385 1041848688 /nfs/dbraw/zinc/84/86/88/1041848688.db2.gz DSTMXLBLXHORRJ-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@H+](C)CC2=CCCOC2)cs1 ZINC000661656385 1041848691 /nfs/dbraw/zinc/84/86/91/1041848691.db2.gz DSTMXLBLXHORRJ-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CCO1 ZINC000027115599 1041884995 /nfs/dbraw/zinc/88/49/95/1041884995.db2.gz PZOGWFPPTGGVIU-MRXNPFEDSA-N 1 2 329.440 3.836 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CCO1 ZINC000027115599 1041884998 /nfs/dbraw/zinc/88/49/98/1041884998.db2.gz PZOGWFPPTGGVIU-MRXNPFEDSA-N 1 2 329.440 3.836 20 0 EHADLO Cc1nc(NCc2ccnc(N3CCCCC3)c2)c2c([nH+]1)CCCC2 ZINC000302042846 1041899205 /nfs/dbraw/zinc/89/92/05/1041899205.db2.gz IZCAWLSIWUJKDC-UHFFFAOYSA-N 1 2 337.471 3.661 20 0 EHADLO COc1cccc2c(NCc3ccc(C[S@@](C)=O)cc3)cc[nH+]c12 ZINC000343873657 1041909974 /nfs/dbraw/zinc/90/99/74/1041909974.db2.gz VDXLOYDKHCPMAI-XMMPIXPASA-N 1 2 340.448 3.734 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000651742945 1041988359 /nfs/dbraw/zinc/98/83/59/1041988359.db2.gz BWQFGPZIWWKQLQ-MRXNPFEDSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c(C)n1 ZINC000164334461 1042019702 /nfs/dbraw/zinc/01/97/02/1042019702.db2.gz LIBWTLVXQYWOCN-INIZCTEOSA-N 1 2 349.482 3.774 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCCC1 ZINC000045490359 1042095873 /nfs/dbraw/zinc/09/58/73/1042095873.db2.gz QYVYYCVCWQUEKT-UHFFFAOYSA-N 1 2 330.476 3.546 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1cscn1)[C@@H](C)c1ccc(F)cc1 ZINC000661418227 1042110504 /nfs/dbraw/zinc/11/05/04/1042110504.db2.gz MUTVMYQHWGBIGU-STQMWFEESA-N 1 2 335.448 3.543 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1cscn1 ZINC000661424631 1042114650 /nfs/dbraw/zinc/11/46/50/1042114650.db2.gz LLSKGZFXOIEIDC-QWHCGFSZSA-N 1 2 347.509 3.711 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000661463636 1042135908 /nfs/dbraw/zinc/13/59/08/1042135908.db2.gz SAYXFVGAMIXXMZ-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000661463636 1042135916 /nfs/dbraw/zinc/13/59/16/1042135916.db2.gz SAYXFVGAMIXXMZ-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1F ZINC000661486215 1042143886 /nfs/dbraw/zinc/14/38/86/1042143886.db2.gz USALYYKPWRPGDI-SFHVURJKSA-N 1 2 325.387 3.961 20 0 EHADLO [NH3+][C@H](C(=O)N(Cc1ccccc1F)CC1CC1)c1c(F)cccc1F ZINC000662886197 1042193826 /nfs/dbraw/zinc/19/38/26/1042193826.db2.gz TUSPEKNJIHTKFI-SFHVURJKSA-N 1 2 348.368 3.543 20 0 EHADLO COCCOc1ncccc1C[NH2+]Cc1csc(Cl)c1Cl ZINC000432227918 1042209682 /nfs/dbraw/zinc/20/96/82/1042209682.db2.gz GQNLOSSJVHXTBP-UHFFFAOYSA-N 1 2 347.267 3.765 20 0 EHADLO Cc1nnc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)s1 ZINC000893477348 1042229109 /nfs/dbraw/zinc/22/91/09/1042229109.db2.gz GKXCZLGKJNIWOJ-UHFFFAOYSA-N 1 2 340.474 3.545 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)c2cc(C)[nH]c2C)cc1F ZINC000661658415 1042238429 /nfs/dbraw/zinc/23/84/29/1042238429.db2.gz ISIAJYMGRSMSHQ-KRWDZBQOSA-N 1 2 330.403 3.799 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)c2cc(C)[nH]c2C)cc1F ZINC000661658415 1042238434 /nfs/dbraw/zinc/23/84/34/1042238434.db2.gz ISIAJYMGRSMSHQ-KRWDZBQOSA-N 1 2 330.403 3.799 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F ZINC000661670688 1042247932 /nfs/dbraw/zinc/24/79/32/1042247932.db2.gz XTCALUAREODWGU-KRWDZBQOSA-N 1 2 344.434 3.835 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cc(OC)c(OC)c(OC)c1 ZINC000652199165 1042272113 /nfs/dbraw/zinc/27/21/13/1042272113.db2.gz GKFQOWBJUIPAPE-DOMZBBRYSA-N 1 2 329.387 3.941 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661738470 1042293743 /nfs/dbraw/zinc/29/37/43/1042293743.db2.gz RQOKZOWNXBYVME-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661738470 1042293747 /nfs/dbraw/zinc/29/37/47/1042293747.db2.gz RQOKZOWNXBYVME-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO Clc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCc2c[nH]nn2)cc1 ZINC000661788842 1042326597 /nfs/dbraw/zinc/32/65/97/1042326597.db2.gz UCJHNOJMWIXOFM-QGZVFWFLSA-N 1 2 344.871 3.710 20 0 EHADLO CC1([NH2+]Cc2ncc(Br)cc2O)CCC(F)(F)CC1 ZINC000893516299 1042339651 /nfs/dbraw/zinc/33/96/51/1042339651.db2.gz QRTWOJJLODXROA-UHFFFAOYSA-N 1 2 335.192 3.607 20 0 EHADLO Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1-c1ccncc1 ZINC000652318185 1042356539 /nfs/dbraw/zinc/35/65/39/1042356539.db2.gz OYJSPLHFVUEWNN-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662042884 1042478016 /nfs/dbraw/zinc/47/80/16/1042478016.db2.gz FPBFVJRJDUINRC-UHFFFAOYSA-N 1 2 341.455 3.618 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2ccon2)CC1 ZINC000662046323 1042479111 /nfs/dbraw/zinc/47/91/11/1042479111.db2.gz ATVWOSGCBVMGMX-LLVKDONJSA-N 1 2 330.413 3.727 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662048737 1042480853 /nfs/dbraw/zinc/48/08/53/1042480853.db2.gz CQMPZIPINTURQQ-AWEZNQCLSA-N 1 2 327.428 3.553 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000662048738 1042481228 /nfs/dbraw/zinc/48/12/28/1042481228.db2.gz CQMPZIPINTURQQ-CQSZACIVSA-N 1 2 327.428 3.553 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C12CCCCC2 ZINC000893558725 1042640606 /nfs/dbraw/zinc/64/06/06/1042640606.db2.gz DAPHNNSIPKKDPZ-RCCFBDPRSA-N 1 2 340.471 3.612 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000161759031 1042683684 /nfs/dbraw/zinc/68/36/84/1042683684.db2.gz DSDYGJVVEOJEOM-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161857685 1042686505 /nfs/dbraw/zinc/68/65/05/1042686505.db2.gz OHRHTFIZOPSSTA-INIZCTEOSA-N 1 2 339.439 3.543 20 0 EHADLO CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000186774552 1042706853 /nfs/dbraw/zinc/70/68/53/1042706853.db2.gz SZFOPNNTBMDOGQ-UHFFFAOYSA-N 1 2 331.419 3.676 20 0 EHADLO COc1c(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c(C)nn1C ZINC000162359841 1042722477 /nfs/dbraw/zinc/72/24/77/1042722477.db2.gz NPVPLDHNONNXRE-VIFPVBQESA-N 1 2 328.243 3.895 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(F)ccc2F)c(OC)c1 ZINC000121311767 1042757765 /nfs/dbraw/zinc/75/77/65/1042757765.db2.gz HCFQCTQGOAOUAD-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(OC)cc2OC)o1 ZINC000165295699 1042768297 /nfs/dbraw/zinc/76/82/97/1042768297.db2.gz IPKNIKDGZRFUFV-SUMWQHHRSA-N 1 2 333.428 3.898 20 0 EHADLO C[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccc(F)c1 ZINC000051558315 1042780865 /nfs/dbraw/zinc/78/08/65/1042780865.db2.gz ORMVBIUAGYUUDX-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccc(F)c1 ZINC000051558315 1042780870 /nfs/dbraw/zinc/78/08/70/1042780870.db2.gz ORMVBIUAGYUUDX-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[C@H](CNc1nc(C(F)F)nc2ccc(F)cc21)Cn1cc[nH+]c1 ZINC000663394577 1042809914 /nfs/dbraw/zinc/80/99/14/1042809914.db2.gz WXMPTRMDMNRJNO-SNVBAGLBSA-N 1 2 335.333 3.651 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000303412209 1042929031 /nfs/dbraw/zinc/92/90/31/1042929031.db2.gz VGBZONXIAGTJLH-KRWDZBQOSA-N 1 2 330.378 3.592 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000303412209 1042929039 /nfs/dbraw/zinc/92/90/39/1042929039.db2.gz VGBZONXIAGTJLH-KRWDZBQOSA-N 1 2 330.378 3.592 20 0 EHADLO Cn1cc(Cl)c(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000643250207 1042965302 /nfs/dbraw/zinc/96/53/02/1042965302.db2.gz HROOHGOSSUWPKW-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO COc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(Br)c1 ZINC000643251553 1042976015 /nfs/dbraw/zinc/97/60/15/1042976015.db2.gz PQTKGAVCGXUPIQ-UHFFFAOYSA-N 1 2 332.188 3.689 20 0 EHADLO O=C(Nc1ccccc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278932002 1042985583 /nfs/dbraw/zinc/98/55/83/1042985583.db2.gz VGHXYMFYAZVLOG-UHFFFAOYSA-N 1 2 342.418 3.770 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000585762941 1043027401 /nfs/dbraw/zinc/02/74/01/1043027401.db2.gz BHADSHHVOBLGIL-UHFFFAOYSA-N 1 2 337.423 3.593 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000585762941 1043027405 /nfs/dbraw/zinc/02/74/05/1043027405.db2.gz BHADSHHVOBLGIL-UHFFFAOYSA-N 1 2 337.423 3.593 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@H](CF)c3ccc(F)cc3)cnc21 ZINC000631282837 1043038222 /nfs/dbraw/zinc/03/82/22/1043038222.db2.gz DZSXLLCVHHOJDS-QGZVFWFLSA-N 1 2 330.382 3.952 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000512067306 1043104531 /nfs/dbraw/zinc/10/45/31/1043104531.db2.gz KRTMABGNKLCOHZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000512067306 1043104534 /nfs/dbraw/zinc/10/45/34/1043104534.db2.gz KRTMABGNKLCOHZ-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)Cc3ccccc3N(C)C)o2)cc1 ZINC000344102523 1043252810 /nfs/dbraw/zinc/25/28/10/1043252810.db2.gz FODHMNVSPWNJJC-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)Cc3ccccc3N(C)C)o2)cc1 ZINC000344102523 1043252820 /nfs/dbraw/zinc/25/28/20/1043252820.db2.gz FODHMNVSPWNJJC-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000279048299 1043260073 /nfs/dbraw/zinc/26/00/73/1043260073.db2.gz YGQMLRODGMMMDI-GARJFASQSA-N 1 2 349.422 3.507 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279053077 1043271362 /nfs/dbraw/zinc/27/13/62/1043271362.db2.gz DPUKYBCSGOGDNG-UHFFFAOYSA-N 1 2 334.485 3.756 20 0 EHADLO O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344256590 1043533503 /nfs/dbraw/zinc/53/35/03/1043533503.db2.gz QQEZVTBQRWGAEF-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CC1(C)CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000663686047 1043569988 /nfs/dbraw/zinc/56/99/88/1043569988.db2.gz LJOZICCUSOVUEM-UHFFFAOYSA-N 1 2 346.519 3.620 20 0 EHADLO CC(C)c1noc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000279256267 1043662625 /nfs/dbraw/zinc/66/26/25/1043662625.db2.gz LTKGQLCPOJEQCA-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO CC(C)c1noc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000279256267 1043662634 /nfs/dbraw/zinc/66/26/34/1043662634.db2.gz LTKGQLCPOJEQCA-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001143529929 1043679705 /nfs/dbraw/zinc/67/97/05/1043679705.db2.gz IKBLZWVORAQPFT-HXUWFJFHSA-N 1 2 329.415 3.890 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001143529929 1043679712 /nfs/dbraw/zinc/67/97/12/1043679712.db2.gz IKBLZWVORAQPFT-HXUWFJFHSA-N 1 2 329.415 3.890 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000543836488 1043750193 /nfs/dbraw/zinc/75/01/93/1043750193.db2.gz PCKXTIRBJCCFCE-INIZCTEOSA-N 1 2 343.814 3.522 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076094207 1043865520 /nfs/dbraw/zinc/86/55/20/1043865520.db2.gz CGMSRPGHZUGOPT-ULQDDVLXSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000279374272 1044013548 /nfs/dbraw/zinc/01/35/48/1044013548.db2.gz HGKSGDHGZLWCFU-JTQLQIEISA-N 1 2 326.227 3.569 20 0 EHADLO FC(F)(F)c1ccc(OC2C[NH+](Cc3cccc4nonc43)C2)cc1 ZINC001203144275 1044084171 /nfs/dbraw/zinc/08/41/71/1044084171.db2.gz GNRYKZNFSNYKSD-UHFFFAOYSA-N 1 2 349.312 3.505 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc(F)ccc3F)n2)c1 ZINC000279462093 1044107441 /nfs/dbraw/zinc/10/74/41/1044107441.db2.gz JDJBZYUOWQLFCT-VXGBXAGGSA-N 1 2 343.381 3.865 20 0 EHADLO Cc1nc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663757954 1044110870 /nfs/dbraw/zinc/11/08/70/1044110870.db2.gz XEOJDDMJNMEXEK-VXGBXAGGSA-N 1 2 342.281 3.862 20 0 EHADLO Cc1nc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663757951 1044111615 /nfs/dbraw/zinc/11/16/15/1044111615.db2.gz XEOJDDMJNMEXEK-NEPJUHHUSA-N 1 2 342.281 3.862 20 0 EHADLO CCOC(=O)c1nc(C[NH+]2CCC(Cc3ccccc3)CC2)cs1 ZINC000051156177 1044406118 /nfs/dbraw/zinc/40/61/18/1044406118.db2.gz MOENGDAXVNFIAQ-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1ccc(Cl)cc1 ZINC000279745504 1044507882 /nfs/dbraw/zinc/50/78/82/1044507882.db2.gz PLNGNZUGDQSPEG-QGZVFWFLSA-N 1 2 329.831 3.773 20 0 EHADLO Cc1ccccc1-n1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000112170796 1044582410 /nfs/dbraw/zinc/58/24/10/1044582410.db2.gz RZORZIFIZRQSOL-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279816568 1044686544 /nfs/dbraw/zinc/68/65/44/1044686544.db2.gz XVWYAEOOSQMNCY-HNNXBMFYSA-N 1 2 331.410 3.898 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC(C)C ZINC000338279097 1044846955 /nfs/dbraw/zinc/84/69/55/1044846955.db2.gz IZDHQEFJELIJLU-AWEZNQCLSA-N 1 2 346.475 3.680 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000620242750 1125520866 /nfs/dbraw/zinc/52/08/66/1125520866.db2.gz SSNCMVBMJIZDBG-INIZCTEOSA-N 1 2 345.324 3.906 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000620413253 1125566656 /nfs/dbraw/zinc/56/66/56/1125566656.db2.gz KKWDGNVUVBFBHG-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000620410098 1125568767 /nfs/dbraw/zinc/56/87/67/1125568767.db2.gz UPSYLWJOMYDDNI-UHFFFAOYSA-N 1 2 348.378 3.704 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154210842 1125703262 /nfs/dbraw/zinc/70/32/62/1125703262.db2.gz TXPNRPGZUJVFCR-UHFFFAOYSA-N 1 2 347.256 3.752 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154210842 1125703266 /nfs/dbraw/zinc/70/32/66/1125703266.db2.gz TXPNRPGZUJVFCR-UHFFFAOYSA-N 1 2 347.256 3.752 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000622565137 1126719187 /nfs/dbraw/zinc/71/91/87/1126719187.db2.gz JJQMBLQOUYEFAS-OALUTQOASA-N 1 2 340.854 3.576 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622681497 1126746875 /nfs/dbraw/zinc/74/68/75/1126746875.db2.gz OKQIYHACHXXVLM-LJQANCHMSA-N 1 2 334.891 3.857 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622681497 1126746879 /nfs/dbraw/zinc/74/68/79/1126746879.db2.gz OKQIYHACHXXVLM-LJQANCHMSA-N 1 2 334.891 3.857 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000171119280 1126751763 /nfs/dbraw/zinc/75/17/63/1126751763.db2.gz ZOEYKNQENINOIM-MAUKXSAKSA-N 1 2 336.435 3.841 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000185086022 1126755269 /nfs/dbraw/zinc/75/52/69/1126755269.db2.gz SJBJZGGKWHSJPD-SNVBAGLBSA-N 1 2 339.208 3.848 20 0 EHADLO CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000172582441 1126800270 /nfs/dbraw/zinc/80/02/70/1126800270.db2.gz BSVNLJSAUXIFJT-HNNXBMFYSA-N 1 2 345.270 3.823 20 0 EHADLO CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000172582441 1126800272 /nfs/dbraw/zinc/80/02/72/1126800272.db2.gz BSVNLJSAUXIFJT-HNNXBMFYSA-N 1 2 345.270 3.823 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246798 1126817166 /nfs/dbraw/zinc/81/71/66/1126817166.db2.gz YYHOVQTZTHAJNY-UHFFFAOYSA-N 1 2 335.455 3.646 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671246798 1126817169 /nfs/dbraw/zinc/81/71/69/1126817169.db2.gz YYHOVQTZTHAJNY-UHFFFAOYSA-N 1 2 335.455 3.646 20 0 EHADLO CC(C)([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1nccs1 ZINC000072662863 1126836071 /nfs/dbraw/zinc/83/60/71/1126836071.db2.gz FSERTGNVVBNWPQ-UHFFFAOYSA-N 1 2 340.448 3.763 20 0 EHADLO O=C(C[NH2+]Cc1c(F)cccc1F)Nc1cc(Cl)ccc1Cl ZINC000072670368 1126845516 /nfs/dbraw/zinc/84/55/16/1126845516.db2.gz HHLYOAWIMFBOHP-UHFFFAOYSA-N 1 2 345.176 4.000 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000175223266 1126867652 /nfs/dbraw/zinc/86/76/52/1126867652.db2.gz FEENPYJUPKYJMD-RISCZKNCSA-N 1 2 349.887 3.815 20 0 EHADLO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1F ZINC000623232127 1126899418 /nfs/dbraw/zinc/89/94/18/1126899418.db2.gz VMOOYFXRJNTASZ-ROUUACIJSA-N 1 2 330.378 3.719 20 0 EHADLO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1F ZINC000623232128 1126899754 /nfs/dbraw/zinc/89/97/54/1126899754.db2.gz VMOOYFXRJNTASZ-ZWKOTPCHSA-N 1 2 330.378 3.719 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000623253998 1126902895 /nfs/dbraw/zinc/90/28/95/1126902895.db2.gz XPLLZEXSVFYINO-UHFFFAOYSA-N 1 2 329.419 3.774 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000623253944 1126902923 /nfs/dbraw/zinc/90/29/23/1126902923.db2.gz QRHLRTUHYGRIAD-UHFFFAOYSA-N 1 2 347.409 3.913 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297882 1126910690 /nfs/dbraw/zinc/91/06/90/1126910690.db2.gz PLRXPTDEKFJCTR-LJQANCHMSA-N 1 2 337.467 3.605 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1F ZINC000072878365 1126911252 /nfs/dbraw/zinc/91/12/52/1126911252.db2.gz VTEKZSVEUKRGOU-UHFFFAOYSA-N 1 2 344.430 3.902 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1F ZINC000072878365 1126911256 /nfs/dbraw/zinc/91/12/56/1126911256.db2.gz VTEKZSVEUKRGOU-UHFFFAOYSA-N 1 2 344.430 3.902 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)c(C)c1 ZINC000192790287 1126937958 /nfs/dbraw/zinc/93/79/58/1126937958.db2.gz VUKLVECUZZUZNH-UHFFFAOYSA-N 1 2 326.425 3.571 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000580692418 1126952525 /nfs/dbraw/zinc/95/25/25/1126952525.db2.gz SCYGVSNQYYPQNF-CQSZACIVSA-N 1 2 332.835 3.850 20 0 EHADLO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185605818 1126956631 /nfs/dbraw/zinc/95/66/31/1126956631.db2.gz XPUQOQIRLQSBKT-MNOVXSKESA-N 1 2 348.256 3.743 20 0 EHADLO CCOc1cc(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c(F)cc1OC ZINC000623474767 1126963614 /nfs/dbraw/zinc/96/36/14/1126963614.db2.gz ORUDXYFQSNNSDI-GOSISDBHSA-N 1 2 344.430 3.509 20 0 EHADLO CCOc1cc(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c(F)cc1OC ZINC000623474767 1126963616 /nfs/dbraw/zinc/96/36/16/1126963616.db2.gz ORUDXYFQSNNSDI-GOSISDBHSA-N 1 2 344.430 3.509 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001238309539 1126974372 /nfs/dbraw/zinc/97/43/72/1126974372.db2.gz MIWSMQVPRYUEQF-WDEREUQCSA-N 1 2 328.225 3.916 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001238309539 1126974373 /nfs/dbraw/zinc/97/43/73/1126974373.db2.gz MIWSMQVPRYUEQF-WDEREUQCSA-N 1 2 328.225 3.916 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000177828546 1127001175 /nfs/dbraw/zinc/00/11/75/1127001175.db2.gz KFUNHFGIVUTAFK-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000177828546 1127001178 /nfs/dbraw/zinc/00/11/78/1127001178.db2.gz KFUNHFGIVUTAFK-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO CC(C)COc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178180161 1127012271 /nfs/dbraw/zinc/01/22/71/1127012271.db2.gz XOUTYDNILDQPLK-UHFFFAOYSA-N 1 2 338.411 3.691 20 0 EHADLO CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179605196 1127074618 /nfs/dbraw/zinc/07/46/18/1127074618.db2.gz OBYOEQBAFFPZCM-UHFFFAOYSA-N 1 2 330.476 3.938 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(CCC(C)C)no2)cc1OC ZINC000179623051 1127075943 /nfs/dbraw/zinc/07/59/43/1127075943.db2.gz OMEULJDOLYHBGQ-CQSZACIVSA-N 1 2 347.459 3.835 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2ncn(-c3ccccc3)n2)c1C ZINC000180417580 1127153604 /nfs/dbraw/zinc/15/36/04/1127153604.db2.gz UTDCIEIGKTZMAI-UHFFFAOYSA-N 1 2 340.452 3.721 20 0 EHADLO Cc1noc(C)c1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000351178196 1127150859 /nfs/dbraw/zinc/15/08/59/1127150859.db2.gz WTGKTYRAZHEPFB-HNNXBMFYSA-N 1 2 342.374 3.818 20 0 EHADLO Cc1noc(C)c1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000351178196 1127150862 /nfs/dbraw/zinc/15/08/62/1127150862.db2.gz WTGKTYRAZHEPFB-HNNXBMFYSA-N 1 2 342.374 3.818 20 0 EHADLO COc1ccc([C@@H](CN[C@@H](C)c2nc(C)cs2)[NH+]2CCCC2)cc1 ZINC000623852000 1127202552 /nfs/dbraw/zinc/20/25/52/1127202552.db2.gz NFPAFDRWNMHMNQ-MAUKXSAKSA-N 1 2 345.512 3.948 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)n1 ZINC000623921324 1127216923 /nfs/dbraw/zinc/21/69/23/1127216923.db2.gz SIYULKMGMBCTHH-GXFFZTMASA-N 1 2 341.274 3.598 20 0 EHADLO Fc1cc(C[NH2+][C@@H]2CCCn3ccnc32)c(F)cc1Br ZINC000624160656 1127261697 /nfs/dbraw/zinc/26/16/97/1127261697.db2.gz FWXBYJCZYRPZOY-CYBMUJFWSA-N 1 2 342.187 3.549 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(Br)c(Cl)c2)s1 ZINC000353135061 1127264192 /nfs/dbraw/zinc/26/41/92/1127264192.db2.gz XDWVXMTXPCKUAS-UHFFFAOYSA-N 1 2 346.681 3.806 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)c[nH+]1 ZINC000624179233 1127276275 /nfs/dbraw/zinc/27/62/75/1127276275.db2.gz QZASEVIEWZEPBZ-WGSAOQKQSA-N 1 2 347.503 3.872 20 0 EHADLO CC(C)COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nncn1C ZINC000181722587 1127291871 /nfs/dbraw/zinc/29/18/71/1127291871.db2.gz BJULJXZLVWASIU-QGZVFWFLSA-N 1 2 330.476 3.727 20 0 EHADLO C[C@@H](Cc1nnc(NCc2cccc3[nH+]ccn32)o1)CC(C)(C)C ZINC000181786244 1127296953 /nfs/dbraw/zinc/29/69/53/1127296953.db2.gz VVKLXNYZOUOETA-ZDUSSCGKSA-N 1 2 327.432 3.944 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+]C(C)(c2ccccc2)c2ccccc2)n1 ZINC000182188360 1127316256 /nfs/dbraw/zinc/31/62/56/1127316256.db2.gz BZTQPJHURMTLSQ-UHFFFAOYSA-N 1 2 333.435 3.798 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000182233935 1127318789 /nfs/dbraw/zinc/31/87/89/1127318789.db2.gz ULZHTDMVKWEPPW-UHFFFAOYSA-N 1 2 341.798 3.759 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)c1nccn1C ZINC000182634325 1127340628 /nfs/dbraw/zinc/34/06/28/1127340628.db2.gz VODKLLLFRURAJK-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO COc1ccc([C@H](C)[C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182882989 1127352148 /nfs/dbraw/zinc/35/21/48/1127352148.db2.gz DZLMONGMCCHOEA-HZPDHXFCSA-N 1 2 341.455 3.531 20 0 EHADLO CCN(CC)C(=O)C[C@@H](C)[NH2+]c1ccc(N2CCSCC2)cc1C ZINC000183017560 1127358867 /nfs/dbraw/zinc/35/88/67/1127358867.db2.gz JNJZDVSTUYAPAJ-MRXNPFEDSA-N 1 2 349.544 3.607 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccccc1-n1cccn1 ZINC000183176153 1127366049 /nfs/dbraw/zinc/36/60/49/1127366049.db2.gz RIFYRGZEXGTAMA-AWEZNQCLSA-N 1 2 337.427 3.764 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000183791917 1127387201 /nfs/dbraw/zinc/38/72/01/1127387201.db2.gz HZQFDFVTEFFMLO-NRFANRHFSA-N 1 2 328.419 3.917 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)s1 ZINC000183927160 1127389592 /nfs/dbraw/zinc/38/95/92/1127389592.db2.gz FMBCXRFXBHNQFB-SNVBAGLBSA-N 1 2 339.411 3.582 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184195425 1127397842 /nfs/dbraw/zinc/39/78/42/1127397842.db2.gz AJPPCJIGEVYQMC-ZJUUUORDSA-N 1 2 341.839 3.922 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1C ZINC000184248285 1127399873 /nfs/dbraw/zinc/39/98/73/1127399873.db2.gz JBGXSLPGGMXBQI-HXUWFJFHSA-N 1 2 341.499 3.744 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1C ZINC000184248285 1127399877 /nfs/dbraw/zinc/39/98/77/1127399877.db2.gz JBGXSLPGGMXBQI-HXUWFJFHSA-N 1 2 341.499 3.744 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184488067 1127406638 /nfs/dbraw/zinc/40/66/38/1127406638.db2.gz JOXJTCBCVCBJBZ-MCIONIFRSA-N 1 2 337.533 3.881 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1ncc(C)s1)c1ccccc1 ZINC000185026842 1127418692 /nfs/dbraw/zinc/41/86/92/1127418692.db2.gz UJBBPRIMKUNDEQ-HOCLYGCPSA-N 1 2 331.485 3.760 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nc(C(C)C)cs2)c1C ZINC000194633224 1127464544 /nfs/dbraw/zinc/46/45/44/1127464544.db2.gz YKRLPWIPFHTQEX-UHFFFAOYSA-N 1 2 348.472 3.951 20 0 EHADLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000194852063 1127468692 /nfs/dbraw/zinc/46/86/92/1127468692.db2.gz IMRHNDOEHHQHFH-IBGZPJMESA-N 1 2 349.475 3.529 20 0 EHADLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000194852063 1127468694 /nfs/dbraw/zinc/46/86/94/1127468694.db2.gz IMRHNDOEHHQHFH-IBGZPJMESA-N 1 2 349.475 3.529 20 0 EHADLO O=C(O[C@H]1CCOc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000764366134 1127484719 /nfs/dbraw/zinc/48/47/19/1127484719.db2.gz PIKPEAJNLIIGQA-IBGZPJMESA-N 1 2 334.375 3.612 20 0 EHADLO O=C1OCC[C@@H]2C[N@H+](Cc3sc4ccccc4c3Cl)CCN12 ZINC000764436440 1127494545 /nfs/dbraw/zinc/49/45/45/1127494545.db2.gz GWYVNNIXRNOMRJ-LLVKDONJSA-N 1 2 336.844 3.581 20 0 EHADLO O=C1OCC[C@@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)CCN12 ZINC000764436440 1127494546 /nfs/dbraw/zinc/49/45/46/1127494546.db2.gz GWYVNNIXRNOMRJ-LLVKDONJSA-N 1 2 336.844 3.581 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764961558 1127559418 /nfs/dbraw/zinc/55/94/18/1127559418.db2.gz CYAFMTCJEOESRP-HNNXBMFYSA-N 1 2 346.500 3.621 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764961558 1127559420 /nfs/dbraw/zinc/55/94/20/1127559420.db2.gz CYAFMTCJEOESRP-HNNXBMFYSA-N 1 2 346.500 3.621 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC(CC)(CC)C2)nc1-c1cccnc1 ZINC000765083338 1127574036 /nfs/dbraw/zinc/57/40/36/1127574036.db2.gz YLQAOYVFHDCCHE-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC(CC)(CC)C2)nc1-c1cccnc1 ZINC000765083338 1127574037 /nfs/dbraw/zinc/57/40/37/1127574037.db2.gz YLQAOYVFHDCCHE-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000734489367 1131240431 /nfs/dbraw/zinc/24/04/31/1131240431.db2.gz SUPKXGXEFXLHPB-MRXNPFEDSA-N 1 2 329.440 3.836 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000734489367 1131240435 /nfs/dbraw/zinc/24/04/35/1131240435.db2.gz SUPKXGXEFXLHPB-MRXNPFEDSA-N 1 2 329.440 3.836 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1csc(-c2ccn(C)n2)n1 ZINC000921559954 1127751437 /nfs/dbraw/zinc/75/14/37/1127751437.db2.gz HGBBLVLGSJGYIL-UHFFFAOYSA-N 1 2 327.457 3.530 20 0 EHADLO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1c(Cl)ccc(F)c1Cl ZINC000921562918 1127752284 /nfs/dbraw/zinc/75/22/84/1127752284.db2.gz JNIABGOFAYOLHX-VIFPVBQESA-N 1 2 344.217 3.710 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544859 1127781254 /nfs/dbraw/zinc/78/12/54/1127781254.db2.gz DCAVWBOMAPKOCG-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccn(C)n1 ZINC000624289304 1127787050 /nfs/dbraw/zinc/78/70/50/1127787050.db2.gz IYBHHPMBQCAIEI-BONVTDFDSA-N 1 2 328.243 3.501 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000671667927 1127796404 /nfs/dbraw/zinc/79/64/04/1127796404.db2.gz GOXPCMDOBDDESC-NSISKUIASA-N 1 2 326.484 3.725 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](OC)c2ccccc2)n1 ZINC000338544432 1127797262 /nfs/dbraw/zinc/79/72/62/1127797262.db2.gz ACSXKKFOONDHPP-ZFWWWQNUSA-N 1 2 335.473 3.703 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](OC)c2ccccc2)n1 ZINC000338544432 1127797266 /nfs/dbraw/zinc/79/72/66/1127797266.db2.gz ACSXKKFOONDHPP-ZFWWWQNUSA-N 1 2 335.473 3.703 20 0 EHADLO O=C(CCc1cc2ccccc2o1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029557471 1127802713 /nfs/dbraw/zinc/80/27/13/1127802713.db2.gz BNBCWLYYECJIIO-UHFFFAOYSA-N 1 2 349.434 3.677 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000029913977 1127811038 /nfs/dbraw/zinc/81/10/38/1127811038.db2.gz TXMCHMYEKRBYOZ-ZFWWWQNUSA-N 1 2 344.484 3.505 20 0 EHADLO COC(=O)Cc1ccc(CNc2ccc3c(cccc3OC)[nH+]2)cc1 ZINC001168565469 1127821002 /nfs/dbraw/zinc/82/10/02/1127821002.db2.gz SJBXQZPKDOLVPE-UHFFFAOYSA-N 1 2 336.391 3.571 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000338573468 1127840772 /nfs/dbraw/zinc/84/07/72/1127840772.db2.gz ROIIDOFJSMUNDI-TTYHFUOFSA-N 1 2 337.467 3.659 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000042511301 1127893825 /nfs/dbraw/zinc/89/38/25/1127893825.db2.gz LLKFQOVLYMIMQQ-CYBMUJFWSA-N 1 2 337.876 3.614 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2)cc1 ZINC000043432373 1127920009 /nfs/dbraw/zinc/92/00/09/1127920009.db2.gz AUDWBMANALHBOG-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000043783703 1127926794 /nfs/dbraw/zinc/92/67/94/1127926794.db2.gz ZTCKIFVCCWQYIO-KRWDZBQOSA-N 1 2 326.444 3.580 20 0 EHADLO CSc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000043857386 1127928222 /nfs/dbraw/zinc/92/82/22/1127928222.db2.gz HZVKWDZVDPWODO-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO Clc1ccc2ncc(Nc3ccc[nH+]c3N3CCOCC3)cc2c1 ZINC001212354084 1127928772 /nfs/dbraw/zinc/92/87/72/1127928772.db2.gz ARAWDLAJVSMWNW-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc(Oc3ccncc3)cc2)c1 ZINC001212358554 1127963406 /nfs/dbraw/zinc/96/34/06/1127963406.db2.gz OROJZWOKIIGMJQ-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265683130 1127981634 /nfs/dbraw/zinc/98/16/34/1127981634.db2.gz VFYTUTIGIBFLTK-LJQANCHMSA-N 1 2 334.423 3.550 20 0 EHADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376196 1128045608 /nfs/dbraw/zinc/04/56/08/1128045608.db2.gz VABLFETVOASZGN-INIZCTEOSA-N 1 2 344.459 3.511 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2cc(=O)[nH]c3ccccc32)no1)c1ccccc1 ZINC000347549940 1128069716 /nfs/dbraw/zinc/06/97/16/1128069716.db2.gz FCOQBRCLBWCEOO-SFHVURJKSA-N 1 2 346.390 3.641 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccn1 ZINC000347555639 1128082507 /nfs/dbraw/zinc/08/25/07/1128082507.db2.gz HKSQOAVLKJLMLG-KBPBESRZSA-N 1 2 338.411 3.860 20 0 EHADLO CCc1sc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1C ZINC000060451102 1128102475 /nfs/dbraw/zinc/10/24/75/1128102475.db2.gz YCMUCSIPQVTJJE-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000060614071 1128110230 /nfs/dbraw/zinc/11/02/30/1128110230.db2.gz MGAZWNJGRFFZEA-OAQYLSRUSA-N 1 2 345.446 3.779 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000347576242 1128113126 /nfs/dbraw/zinc/11/31/26/1128113126.db2.gz DTHNDSAPQMNVBL-QGZVFWFLSA-N 1 2 346.521 3.777 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000347576242 1128113129 /nfs/dbraw/zinc/11/31/29/1128113129.db2.gz DTHNDSAPQMNVBL-QGZVFWFLSA-N 1 2 346.521 3.777 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347577849 1128116304 /nfs/dbraw/zinc/11/63/04/1128116304.db2.gz HJHMZIMHWXMBCL-HZPDHXFCSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1noc(C)c1C[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347577849 1128116306 /nfs/dbraw/zinc/11/63/06/1128116306.db2.gz HJHMZIMHWXMBCL-HZPDHXFCSA-N 1 2 327.472 3.640 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000671723890 1128134176 /nfs/dbraw/zinc/13/41/76/1128134176.db2.gz AWOFDWSRDBSIRX-UHFFFAOYSA-N 1 2 331.460 3.661 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCCC(F)(F)C1 ZINC000282256746 1128134181 /nfs/dbraw/zinc/13/41/81/1128134181.db2.gz UJCBKNXITPHYHK-HNNXBMFYSA-N 1 2 337.414 3.514 20 0 EHADLO Cc1nc2ccccc2nc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254671 1128140591 /nfs/dbraw/zinc/14/05/91/1128140591.db2.gz JTADBBBGEGIQRG-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)o1 ZINC000065500646 1128192378 /nfs/dbraw/zinc/19/23/78/1128192378.db2.gz GRIXFVRICLZPOD-AWEZNQCLSA-N 1 2 347.484 3.546 20 0 EHADLO CCn1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC000065738084 1128200230 /nfs/dbraw/zinc/20/02/30/1128200230.db2.gz PFWMLKAVZWGABX-UHFFFAOYSA-N 1 2 344.418 3.777 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000671750215 1128202675 /nfs/dbraw/zinc/20/26/75/1128202675.db2.gz KCLZAMPAXKLPGH-ZJUUUORDSA-N 1 2 333.413 3.548 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000068420123 1128265991 /nfs/dbraw/zinc/26/59/91/1128265991.db2.gz SZCJTODOFWTQTN-KBPBESRZSA-N 1 2 343.393 3.759 20 0 EHADLO CCCc1noc(C[NH2+]C(C)(C)c2ccc(Br)cc2)n1 ZINC000072578492 1128301183 /nfs/dbraw/zinc/30/11/83/1128301183.db2.gz GPFDFAFQDBDVPW-UHFFFAOYSA-N 1 2 338.249 3.810 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072484680 1128298795 /nfs/dbraw/zinc/29/87/95/1128298795.db2.gz DXFJQKUPMKSKNY-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000073009424 1128313070 /nfs/dbraw/zinc/31/30/70/1128313070.db2.gz KYKNSXYUZUUANX-INIZCTEOSA-N 1 2 335.407 3.916 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000073012919 1128313110 /nfs/dbraw/zinc/31/31/10/1128313110.db2.gz HFWGAWYDXIHQIK-MRXNPFEDSA-N 1 2 335.407 3.916 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000073678867 1128326964 /nfs/dbraw/zinc/32/69/64/1128326964.db2.gz PTKDAAWCJQKUFF-CYBMUJFWSA-N 1 2 346.500 3.501 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000074253376 1128337533 /nfs/dbraw/zinc/33/75/33/1128337533.db2.gz PSBSMZUGRXDUKQ-AWEZNQCLSA-N 1 2 325.437 3.603 20 0 EHADLO CC[C@H](CCc1ccccc1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000624563530 1128394225 /nfs/dbraw/zinc/39/42/25/1128394225.db2.gz QJZMGDHURQLTPA-GOSISDBHSA-N 1 2 336.439 3.545 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(C(F)F)c1F ZINC000624597032 1128402391 /nfs/dbraw/zinc/40/23/91/1128402391.db2.gz SAQKEKYRCLWXNF-UHFFFAOYSA-N 1 2 334.341 3.509 20 0 EHADLO Cc1ccc([C@H](C[NH2+]Cc2nc(C(C)(C)C)co2)N2CCCC2)o1 ZINC000921650475 1128432551 /nfs/dbraw/zinc/43/25/51/1128432551.db2.gz NZEYKPBXXKOSEU-HNNXBMFYSA-N 1 2 331.460 3.800 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn(C)nc3C(C)C)cc2)[nH+]c1C ZINC000921664773 1128442985 /nfs/dbraw/zinc/44/29/85/1128442985.db2.gz FSGVIWRACGGAFQ-UHFFFAOYSA-N 1 2 337.427 3.803 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c(C)[nH+]1 ZINC001272822488 1128511545 /nfs/dbraw/zinc/51/15/45/1128511545.db2.gz LVADWAUVHKYCEQ-CYBMUJFWSA-N 1 2 334.341 3.841 20 0 EHADLO C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107340937 1128533333 /nfs/dbraw/zinc/53/33/33/1128533333.db2.gz QZOJBQCEZAQQLT-INIZCTEOSA-N 1 2 330.476 3.546 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000056563992 1128564251 /nfs/dbraw/zinc/56/42/51/1128564251.db2.gz PXZZXAKBCFCYDJ-CQSZACIVSA-N 1 2 338.521 3.885 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000056563992 1128564254 /nfs/dbraw/zinc/56/42/54/1128564254.db2.gz PXZZXAKBCFCYDJ-CQSZACIVSA-N 1 2 338.521 3.885 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785449257 1128639570 /nfs/dbraw/zinc/63/95/70/1128639570.db2.gz UNAYBHWNPKPFJV-GFCCVEGCSA-N 1 2 328.403 3.700 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785449257 1128639573 /nfs/dbraw/zinc/63/95/73/1128639573.db2.gz UNAYBHWNPKPFJV-GFCCVEGCSA-N 1 2 328.403 3.700 20 0 EHADLO c1ccc2c(c1)NCC[C@H]2Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001168649316 1128645726 /nfs/dbraw/zinc/64/57/26/1128645726.db2.gz NNLVYWMULLTTMI-GOSISDBHSA-N 1 2 325.412 3.608 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153772883 1128678228 /nfs/dbraw/zinc/67/82/28/1128678228.db2.gz XNLREYGACNYRPM-LLVKDONJSA-N 1 2 331.803 3.657 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000303835406 1128700665 /nfs/dbraw/zinc/70/06/65/1128700665.db2.gz CEFKXFASAYCIPD-PKOBYXMFSA-N 1 2 344.499 3.556 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](Cc3ccc(F)cc3)C3CC3)cs2)cn1 ZINC000060465659 1128732219 /nfs/dbraw/zinc/73/22/19/1128732219.db2.gz UUFGJSGJMASICS-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)cs2)cn1 ZINC000060465659 1128732221 /nfs/dbraw/zinc/73/22/21/1128732221.db2.gz UUFGJSGJMASICS-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO Cc1nc(C[NH2+]Cc2c(C)cccc2F)sc1Br ZINC000921792786 1128766268 /nfs/dbraw/zinc/76/62/68/1128766268.db2.gz QJVUUBKQDJUNQS-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1nc(C(F)(F)F)cs1 ZINC000921807849 1128780395 /nfs/dbraw/zinc/78/03/95/1128780395.db2.gz RGSWYGMXULQADM-JTQLQIEISA-N 1 2 336.358 3.569 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1c(F)cccc1F ZINC000542886323 1128805618 /nfs/dbraw/zinc/80/56/18/1128805618.db2.gz CFOIGSHHRDHMET-INIZCTEOSA-N 1 2 348.780 3.990 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338757302 1128879880 /nfs/dbraw/zinc/87/98/80/1128879880.db2.gz JSFGRWPYHPYFPI-CABCVRRESA-N 1 2 329.831 3.573 20 0 EHADLO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC001648851808 1120054791 /nfs/dbraw/zinc/05/47/91/1120054791.db2.gz GJUVNEVGJXAFNQ-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[N@H+](CCF)C3)o2)cc1 ZINC001648879846 1120060024 /nfs/dbraw/zinc/06/00/24/1120060024.db2.gz BFWXSRYKKBZNHN-QGZVFWFLSA-N 1 2 344.430 3.673 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCF)C3)o2)cc1 ZINC001648879846 1120060028 /nfs/dbraw/zinc/06/00/28/1120060028.db2.gz BFWXSRYKKBZNHN-QGZVFWFLSA-N 1 2 344.430 3.673 20 0 EHADLO CCCCn1nc(C)c(C[NH2+]Cc2cccnc2OCC)c1Cl ZINC000128897096 1120099674 /nfs/dbraw/zinc/09/96/74/1120099674.db2.gz OWSFCVPSCOKQBG-UHFFFAOYSA-N 1 2 336.867 3.729 20 0 EHADLO COc1cc2c(cc1CNc1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000613282993 1120207433 /nfs/dbraw/zinc/20/74/33/1120207433.db2.gz IGGZLQQJPBBIFD-CQSZACIVSA-N 1 2 335.407 3.816 20 0 EHADLO C[C@@H](CN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687424086 1120336168 /nfs/dbraw/zinc/33/61/68/1120336168.db2.gz NGTYLEPBCPWBSH-FUHWJXTLSA-N 1 2 342.487 3.948 20 0 EHADLO Cc1cc(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c(C)c[nH+]1 ZINC000534326084 1120365973 /nfs/dbraw/zinc/36/59/73/1120365973.db2.gz HWCTVNAAOWSHSF-GFCCVEGCSA-N 1 2 331.366 3.550 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000185228848 1120404672 /nfs/dbraw/zinc/40/46/72/1120404672.db2.gz JOKOOPVGVKEMAL-HNNXBMFYSA-N 1 2 329.469 3.967 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c(Br)c1 ZINC000008318389 1128914841 /nfs/dbraw/zinc/91/48/41/1128914841.db2.gz JHVOCBPXCPSQNR-CYBMUJFWSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)n2C ZINC000187580972 1120504592 /nfs/dbraw/zinc/50/45/92/1120504592.db2.gz DVVQINJAUYINRT-UHFFFAOYSA-N 1 2 331.423 3.562 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000494334774 1120532949 /nfs/dbraw/zinc/53/29/49/1120532949.db2.gz VSGGILBSYUHIIY-SJORKVTESA-N 1 2 339.345 3.860 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc(Cl)cc2F)c(OC)c1 ZINC000189192158 1120552666 /nfs/dbraw/zinc/55/26/66/1120552666.db2.gz NTPOKJSKZBGSJB-UHFFFAOYSA-N 1 2 339.794 3.795 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCC[C@H]3c3ccco3)[nH+]c12 ZINC000076510008 1128925067 /nfs/dbraw/zinc/92/50/67/1128925067.db2.gz COGCDKVFXHSXII-KRWDZBQOSA-N 1 2 337.423 3.922 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)c1nccn1C ZINC000494498338 1120573053 /nfs/dbraw/zinc/57/30/53/1120573053.db2.gz VHHYUOUKEKUWMT-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C[C@H](O)C(F)(F)F ZINC000189484209 1120589278 /nfs/dbraw/zinc/58/92/78/1120589278.db2.gz BYJCSFAROZKPHB-AWEZNQCLSA-N 1 2 348.752 3.740 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C[C@H](O)C(F)(F)F ZINC000189484209 1120589281 /nfs/dbraw/zinc/58/92/81/1120589281.db2.gz BYJCSFAROZKPHB-AWEZNQCLSA-N 1 2 348.752 3.740 20 0 EHADLO Fc1cccc(F)c1Cc1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000355824572 1128938017 /nfs/dbraw/zinc/93/80/17/1128938017.db2.gz PDWLSVDAJUAYPB-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO Cc1cc(OCC(=O)N[C@@H](C)c2cccs2)c2ccccc2[nH+]1 ZINC000192193294 1120723940 /nfs/dbraw/zinc/72/39/40/1120723940.db2.gz BBQNHHOBFSNRTO-ZDUSSCGKSA-N 1 2 326.421 3.861 20 0 EHADLO COc1ccc(C)cc1NC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192193808 1120724731 /nfs/dbraw/zinc/72/47/31/1120724731.db2.gz XLQGPHQVTQFGSA-UHFFFAOYSA-N 1 2 336.391 3.878 20 0 EHADLO c1cn(Cc2cccc(-c3noc(COC4CCCCC4)n3)c2)c[nH+]1 ZINC000761654651 1120731042 /nfs/dbraw/zinc/73/10/42/1120731042.db2.gz YTQKNSMGBUAZAC-UHFFFAOYSA-N 1 2 338.411 3.831 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000193183088 1120762757 /nfs/dbraw/zinc/76/27/57/1120762757.db2.gz VKQITMGHXQSYBO-OAHLLOKOSA-N 1 2 347.459 3.592 20 0 EHADLO COC[C@H](C)[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000193904495 1120807282 /nfs/dbraw/zinc/80/72/82/1120807282.db2.gz OITVNQBJVYLNSU-LBPRGKRZSA-N 1 2 340.876 3.842 20 0 EHADLO COC[C@H](C)[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000193904495 1120807284 /nfs/dbraw/zinc/80/72/84/1120807284.db2.gz OITVNQBJVYLNSU-LBPRGKRZSA-N 1 2 340.876 3.842 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n[nH]1 ZINC000194503009 1120846703 /nfs/dbraw/zinc/84/67/03/1120846703.db2.gz LLMORPIWTOUCCZ-UHFFFAOYSA-N 1 2 349.438 3.985 20 0 EHADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000670111363 1120880229 /nfs/dbraw/zinc/88/02/29/1120880229.db2.gz TZLHZSHZQWHASO-GOSISDBHSA-N 1 2 337.341 3.663 20 0 EHADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000670111363 1120880231 /nfs/dbraw/zinc/88/02/31/1120880231.db2.gz TZLHZSHZQWHASO-GOSISDBHSA-N 1 2 337.341 3.663 20 0 EHADLO CC1(C)CCC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000542518387 1120887719 /nfs/dbraw/zinc/88/77/19/1120887719.db2.gz RXPCOSUPVXUCOX-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO CC1(C)CCC[N@H+]1Cc1ncc(Br)cc1Br ZINC000542518387 1120887723 /nfs/dbraw/zinc/88/77/23/1120887723.db2.gz RXPCOSUPVXUCOX-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](CC(C)C)C3CC3)c(=S)o2)cc1 ZINC000914566704 1120902119 /nfs/dbraw/zinc/90/21/19/1120902119.db2.gz DUKWFJCZZHXBSC-UHFFFAOYSA-N 1 2 347.484 3.883 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](CC(C)C)C3CC3)c(=S)o2)cc1 ZINC000914566704 1120902121 /nfs/dbraw/zinc/90/21/21/1120902121.db2.gz DUKWFJCZZHXBSC-UHFFFAOYSA-N 1 2 347.484 3.883 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495073471 1120944714 /nfs/dbraw/zinc/94/47/14/1120944714.db2.gz JDLSSDFJAWIFNF-ZDUSSCGKSA-N 1 2 348.288 3.983 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000495073471 1120944719 /nfs/dbraw/zinc/94/47/19/1120944719.db2.gz JDLSSDFJAWIFNF-ZDUSSCGKSA-N 1 2 348.288 3.983 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000495081369 1120948382 /nfs/dbraw/zinc/94/83/82/1120948382.db2.gz TUKRJBBNROTZIO-AWEZNQCLSA-N 1 2 338.517 3.895 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000495081369 1120948385 /nfs/dbraw/zinc/94/83/85/1120948385.db2.gz TUKRJBBNROTZIO-AWEZNQCLSA-N 1 2 338.517 3.895 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C1(CC)CC ZINC000495096091 1120952086 /nfs/dbraw/zinc/95/20/86/1120952086.db2.gz ZNOHGLYBGNEDDA-ZACQAIPSSA-N 1 2 334.508 4.000 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)c1 ZINC000761830748 1120975052 /nfs/dbraw/zinc/97/50/52/1120975052.db2.gz IFAUGUVWNXBNEM-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)c1 ZINC000761830748 1120975055 /nfs/dbraw/zinc/97/50/55/1120975055.db2.gz IFAUGUVWNXBNEM-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO CCOC(=O)c1nc(C[NH+]2CCC(c3ccccc3)CC2)cs1 ZINC000076874017 1128958048 /nfs/dbraw/zinc/95/80/48/1128958048.db2.gz NEKWQFUYXNLENN-UHFFFAOYSA-N 1 2 330.453 3.699 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000495297989 1121051285 /nfs/dbraw/zinc/05/12/85/1121051285.db2.gz XVDYKQLDFKOYEL-ZDUSSCGKSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000495297989 1121051293 /nfs/dbraw/zinc/05/12/93/1121051293.db2.gz XVDYKQLDFKOYEL-ZDUSSCGKSA-N 1 2 337.489 3.510 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C[C@H]2C)CC1 ZINC001128221487 1128975052 /nfs/dbraw/zinc/97/50/52/1128975052.db2.gz MBRSLGVBVMLHCE-PEZLKRJXSA-N 1 2 332.513 3.636 20 0 EHADLO CSCc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=S)o1 ZINC000915209633 1121253464 /nfs/dbraw/zinc/25/34/64/1121253464.db2.gz LUKLXDYQVORTRO-AVGNSLFASA-N 1 2 327.519 3.927 20 0 EHADLO CSCc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=S)o1 ZINC000915209633 1121253469 /nfs/dbraw/zinc/25/34/69/1121253469.db2.gz LUKLXDYQVORTRO-AVGNSLFASA-N 1 2 327.519 3.927 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153513582 1121254398 /nfs/dbraw/zinc/25/43/98/1121254398.db2.gz UZJKUKNKSQPOTG-CQSZACIVSA-N 1 2 346.500 3.625 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153513582 1121254404 /nfs/dbraw/zinc/25/44/04/1121254404.db2.gz UZJKUKNKSQPOTG-CQSZACIVSA-N 1 2 346.500 3.625 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cccs1 ZINC000053602915 1121315792 /nfs/dbraw/zinc/31/57/92/1121315792.db2.gz MMKYFSYWAQHWQR-UHFFFAOYSA-N 1 2 343.477 3.603 20 0 EHADLO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cccs1 ZINC000053602915 1121315800 /nfs/dbraw/zinc/31/58/00/1121315800.db2.gz MMKYFSYWAQHWQR-UHFFFAOYSA-N 1 2 343.477 3.603 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1cnc(-c2ccccc2)n1 ZINC000762503619 1121330431 /nfs/dbraw/zinc/33/04/31/1121330431.db2.gz UXWLHQGGDVKDGF-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1cnc(-c2ccccc2)n1 ZINC000762503619 1121330438 /nfs/dbraw/zinc/33/04/38/1121330438.db2.gz UXWLHQGGDVKDGF-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000032404459 1121337064 /nfs/dbraw/zinc/33/70/64/1121337064.db2.gz VGDHRMZMLMIEJE-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499541029 1128981165 /nfs/dbraw/zinc/98/11/65/1128981165.db2.gz PXLPCLTUFVTDPD-HOCLYGCPSA-N 1 2 328.460 3.691 20 0 EHADLO CCCc1ccc(-c2nc(NC(=O)[C@@H]3CSC[NH2+]3)sc2C)cc1 ZINC000236971795 1121470299 /nfs/dbraw/zinc/47/02/99/1121470299.db2.gz JRROAEAMFQNJQI-AWEZNQCLSA-N 1 2 347.509 3.672 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cscc2Cl)C1 ZINC000648807413 1121478147 /nfs/dbraw/zinc/47/81/47/1121478147.db2.gz NLEUNFCAIRLNEN-SNVBAGLBSA-N 1 2 326.815 3.718 20 0 EHADLO C[C@H](CCCC(C)(C)O)Nc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001168698610 1128993982 /nfs/dbraw/zinc/99/39/82/1128993982.db2.gz LIMFAUACKUIVIM-CQSZACIVSA-N 1 2 336.476 3.707 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000915680206 1121587546 /nfs/dbraw/zinc/58/75/46/1121587546.db2.gz WZNFFDBPJYVQRN-FQEVSTJZSA-N 1 2 333.439 3.780 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000915680206 1121587555 /nfs/dbraw/zinc/58/75/55/1121587555.db2.gz WZNFFDBPJYVQRN-FQEVSTJZSA-N 1 2 333.439 3.780 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026190765 1121648057 /nfs/dbraw/zinc/64/80/57/1121648057.db2.gz LNQNRFYIVDSZLS-HNNXBMFYSA-N 1 2 349.434 3.702 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026190765 1121648061 /nfs/dbraw/zinc/64/80/61/1121648061.db2.gz LNQNRFYIVDSZLS-HNNXBMFYSA-N 1 2 349.434 3.702 20 0 EHADLO COC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000054146075 1121742308 /nfs/dbraw/zinc/74/23/08/1121742308.db2.gz AAUPCCXIEJSDDN-SNVBAGLBSA-N 1 2 338.860 3.691 20 0 EHADLO CCOc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696912 1121858074 /nfs/dbraw/zinc/85/80/74/1121858074.db2.gz NLBKZLFZKFBYDZ-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1F ZINC000444127589 1121868893 /nfs/dbraw/zinc/86/88/93/1121868893.db2.gz OHSCDDSAFNEDHT-GDBMZVCRSA-N 1 2 344.434 3.518 20 0 EHADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466944 1121881080 /nfs/dbraw/zinc/88/10/80/1121881080.db2.gz DUHFOYUZBSTJHW-IAGOWNOFSA-N 1 2 328.460 3.537 20 0 EHADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466944 1121881089 /nfs/dbraw/zinc/88/10/89/1121881089.db2.gz DUHFOYUZBSTJHW-IAGOWNOFSA-N 1 2 328.460 3.537 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000763220615 1121908352 /nfs/dbraw/zinc/90/83/52/1121908352.db2.gz NNUFEWAYGMLKLU-OAHLLOKOSA-N 1 2 347.528 3.765 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000763220615 1121908357 /nfs/dbraw/zinc/90/83/57/1121908357.db2.gz NNUFEWAYGMLKLU-OAHLLOKOSA-N 1 2 347.528 3.765 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000763242658 1121918390 /nfs/dbraw/zinc/91/83/90/1121918390.db2.gz QWZYYPKERILYOE-HNNXBMFYSA-N 1 2 348.541 3.953 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000763242658 1121918397 /nfs/dbraw/zinc/91/83/97/1121918397.db2.gz QWZYYPKERILYOE-HNNXBMFYSA-N 1 2 348.541 3.953 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000763292816 1121945390 /nfs/dbraw/zinc/94/53/90/1121945390.db2.gz CDMIETKQNLZREP-UHFFFAOYSA-N 1 2 338.194 3.918 20 0 EHADLO Cc1ccc(-n2cnn(C[N@@H+]3CC[C@@H](C4CC4)C3)c2=S)c(C)c1 ZINC000763331286 1121962859 /nfs/dbraw/zinc/96/28/59/1121962859.db2.gz GAQXLOYFAJKFGO-MRXNPFEDSA-N 1 2 328.485 3.710 20 0 EHADLO Cc1ccc(-n2cnn(C[N@H+]3CC[C@@H](C4CC4)C3)c2=S)c(C)c1 ZINC000763331286 1121962868 /nfs/dbraw/zinc/96/28/68/1121962868.db2.gz GAQXLOYFAJKFGO-MRXNPFEDSA-N 1 2 328.485 3.710 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444186970 1121965507 /nfs/dbraw/zinc/96/55/07/1121965507.db2.gz UAWPJFJOTYXARE-IKGGRYGDSA-N 1 2 332.492 3.526 20 0 EHADLO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)cc1OC ZINC000672622306 1129028332 /nfs/dbraw/zinc/02/83/32/1129028332.db2.gz WZENVEABOMNOOJ-LRDDRELGSA-N 1 2 329.387 3.559 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000496790939 1122176296 /nfs/dbraw/zinc/17/62/96/1122176296.db2.gz DHXRGVZNSATQDO-LLVKDONJSA-N 1 2 346.431 3.503 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000496790942 1122177081 /nfs/dbraw/zinc/17/70/81/1122177081.db2.gz DHXRGVZNSATQDO-NSHDSACASA-N 1 2 346.431 3.503 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1csc(-c2ccccn2)n1 ZINC000124286352 1122280752 /nfs/dbraw/zinc/28/07/52/1122280752.db2.gz QKLRQNCESUIEIZ-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1csc(-c2ccccn2)n1 ZINC000124286352 1122280756 /nfs/dbraw/zinc/28/07/56/1122280756.db2.gz QKLRQNCESUIEIZ-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000125167724 1122307660 /nfs/dbraw/zinc/30/76/60/1122307660.db2.gz YJSHADQAMOFRCD-UHFFFAOYSA-N 1 2 336.391 3.760 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000125167724 1122307664 /nfs/dbraw/zinc/30/76/64/1122307664.db2.gz YJSHADQAMOFRCD-UHFFFAOYSA-N 1 2 336.391 3.760 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125242992 1122309940 /nfs/dbraw/zinc/30/99/40/1122309940.db2.gz NGHNODLQAZEPFQ-APWZRJJASA-N 1 2 340.471 3.652 20 0 EHADLO CCCCc1ccc2nc(NC(=O)Cc3c[nH+]cn3C)sc2c1 ZINC000672703219 1129050489 /nfs/dbraw/zinc/05/04/89/1129050489.db2.gz NYNCACBTMJKTHJ-UHFFFAOYSA-N 1 2 328.441 3.554 20 0 EHADLO CCc1csc([C@@H]2CCC[N@H+](Cc3ccn(C(F)F)n3)C2)n1 ZINC000347681759 1129051449 /nfs/dbraw/zinc/05/14/49/1129051449.db2.gz LLFREKMMVIKVPJ-LLVKDONJSA-N 1 2 326.416 3.677 20 0 EHADLO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccn(C(F)F)n3)C2)n1 ZINC000347681759 1129051453 /nfs/dbraw/zinc/05/14/53/1129051453.db2.gz LLFREKMMVIKVPJ-LLVKDONJSA-N 1 2 326.416 3.677 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)[nH+]1 ZINC000497260823 1122426891 /nfs/dbraw/zinc/42/68/91/1122426891.db2.gz KQDPASCCWRPUQK-LSDHHAIUSA-N 1 2 347.459 3.591 20 0 EHADLO COc1cc(C[N@H+](C)CN2C(=O)[C@@H]3CCCCC[C@H]32)ccc1SC ZINC000749950742 1122433731 /nfs/dbraw/zinc/43/37/31/1122433731.db2.gz VWXOFWLJRVPJSA-HZPDHXFCSA-N 1 2 348.512 3.598 20 0 EHADLO COc1cc(C[N@@H+](C)CN2C(=O)[C@@H]3CCCCC[C@H]32)ccc1SC ZINC000749950742 1122433734 /nfs/dbraw/zinc/43/37/34/1122433734.db2.gz VWXOFWLJRVPJSA-HZPDHXFCSA-N 1 2 348.512 3.598 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564023 1122474558 /nfs/dbraw/zinc/47/45/58/1122474558.db2.gz AQUBPUVUXCNKJF-DOTOQJQBSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564023 1122474562 /nfs/dbraw/zinc/47/45/62/1122474562.db2.gz AQUBPUVUXCNKJF-DOTOQJQBSA-N 1 2 345.512 3.929 20 0 EHADLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H](C)c1cccc(OC)c1 ZINC000917105535 1122503661 /nfs/dbraw/zinc/50/36/61/1122503661.db2.gz IPNHHYUTEXULSP-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H](C)c1cccc(OC)c1 ZINC000917105535 1122503665 /nfs/dbraw/zinc/50/36/65/1122503665.db2.gz IPNHHYUTEXULSP-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2=C(C)CCC2)[C@H](C)C1 ZINC001128306864 1129059526 /nfs/dbraw/zinc/05/95/26/1129059526.db2.gz DMPBDHDPPHAHKE-QGZVFWFLSA-N 1 2 342.483 3.618 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2=C(C)CCC2)[C@H](C)C1 ZINC001128306864 1129059531 /nfs/dbraw/zinc/05/95/31/1129059531.db2.gz DMPBDHDPPHAHKE-QGZVFWFLSA-N 1 2 342.483 3.618 20 0 EHADLO COc1ccccc1SCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000128156344 1122534382 /nfs/dbraw/zinc/53/43/82/1122534382.db2.gz JXNMPCPMXQEASH-UHFFFAOYSA-N 1 2 339.420 3.816 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(Br)cc1F ZINC000128166593 1122534864 /nfs/dbraw/zinc/53/48/64/1122534864.db2.gz FLWZWISJBWQXBT-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000497846507 1122681617 /nfs/dbraw/zinc/68/16/17/1122681617.db2.gz YMTDUQAETWPGBP-UHFFFAOYSA-N 1 2 337.467 3.909 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000918021358 1122731115 /nfs/dbraw/zinc/73/11/15/1122731115.db2.gz AXZGQYUDJJIRDG-ZPIQOJFGSA-N 1 2 344.455 3.806 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000129544318 1122798143 /nfs/dbraw/zinc/79/81/43/1122798143.db2.gz PHCAINVPRWPFEC-IPELMVKDSA-N 1 2 340.492 3.757 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1ccc(Oc2ccccc2)nc1 ZINC000154755118 1122842443 /nfs/dbraw/zinc/84/24/43/1122842443.db2.gz RPDMRKDALQWPFY-UHFFFAOYSA-N 1 2 340.770 3.679 20 0 EHADLO CC(C)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498307509 1122853062 /nfs/dbraw/zinc/85/30/62/1122853062.db2.gz COYOFIXSLPEEPS-UHFFFAOYSA-N 1 2 343.298 3.726 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1csc(-c2ccccc2)n1 ZINC000672832301 1129083099 /nfs/dbraw/zinc/08/30/99/1129083099.db2.gz BRVHCNUVPJMMKX-UHFFFAOYSA-N 1 2 349.419 3.780 20 0 EHADLO COCCC1(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CCCCC1 ZINC000556241252 1122899200 /nfs/dbraw/zinc/89/92/00/1122899200.db2.gz RDLQQDRNDJQSHY-SFHVURJKSA-N 1 2 346.450 3.610 20 0 EHADLO COCCC1(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CCCCC1 ZINC000556241252 1122899203 /nfs/dbraw/zinc/89/92/03/1122899203.db2.gz RDLQQDRNDJQSHY-SFHVURJKSA-N 1 2 346.450 3.610 20 0 EHADLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2sccc2C1 ZINC000010094358 1122900639 /nfs/dbraw/zinc/90/06/39/1122900639.db2.gz LRSQPULHMAHWNZ-IVKJLDKCSA-N 1 2 344.524 3.580 20 0 EHADLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2sccc2C1 ZINC000010094358 1122900642 /nfs/dbraw/zinc/90/06/42/1122900642.db2.gz LRSQPULHMAHWNZ-IVKJLDKCSA-N 1 2 344.524 3.580 20 0 EHADLO CC1(c2ccccc2)CC([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000556257880 1122902321 /nfs/dbraw/zinc/90/23/21/1122902321.db2.gz QCECXLDGDDUQCX-SKINQDTJSA-N 1 2 336.414 3.743 20 0 EHADLO CC1(c2ccccc2)CC([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000556257880 1122902326 /nfs/dbraw/zinc/90/23/26/1122902326.db2.gz QCECXLDGDDUQCX-SKINQDTJSA-N 1 2 336.414 3.743 20 0 EHADLO CC(C)(C)C(C)(C)c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000556273244 1122909535 /nfs/dbraw/zinc/90/95/35/1122909535.db2.gz NMPDJNSTMOAVAF-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO CCCCn1c(S[C@@H]2CCO[C@@H](C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000421821171 1122947260 /nfs/dbraw/zinc/94/72/60/1122947260.db2.gz PVQPZSVQATVUFD-RRFJBIMHSA-N 1 2 340.537 3.751 20 0 EHADLO Cc1cc(C)cc(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001128329788 1129091561 /nfs/dbraw/zinc/09/15/61/1129091561.db2.gz OPDKCSRUCSTVMN-QGZVFWFLSA-N 1 2 342.508 3.813 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000498628642 1122998211 /nfs/dbraw/zinc/99/82/11/1122998211.db2.gz WMJSYTQXFZUXER-OXQOHEQNSA-N 1 2 341.451 3.563 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000498657889 1123008976 /nfs/dbraw/zinc/00/89/76/1123008976.db2.gz AKURAHLBDNNICP-UHFFFAOYSA-N 1 2 335.492 3.633 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997741 1123029791 /nfs/dbraw/zinc/02/97/91/1123029791.db2.gz QKLPPTZCIAMROD-ZNZDAUKMSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000130997741 1123029796 /nfs/dbraw/zinc/02/97/96/1123029796.db2.gz QKLPPTZCIAMROD-ZNZDAUKMSA-N 1 2 344.405 3.630 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)CC12CCCCC2 ZINC000498922711 1123115046 /nfs/dbraw/zinc/11/50/46/1123115046.db2.gz MCUHFDZQNONESU-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@@H](C)c2c(F)cccc2F)CC12CCCCC2 ZINC000498922711 1123115048 /nfs/dbraw/zinc/11/50/48/1123115048.db2.gz MCUHFDZQNONESU-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC000498922764 1123115300 /nfs/dbraw/zinc/11/53/00/1123115300.db2.gz MGKXUVZBIZMPOO-UHFFFAOYSA-N 1 2 333.435 3.917 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCCc3ccccc3C2)n1 ZINC000498922764 1123115302 /nfs/dbraw/zinc/11/53/02/1123115302.db2.gz MGKXUVZBIZMPOO-UHFFFAOYSA-N 1 2 333.435 3.917 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c(F)c1 ZINC000131545594 1123135501 /nfs/dbraw/zinc/13/55/01/1123135501.db2.gz NZUFNFZZEAJNRQ-LLVKDONJSA-N 1 2 333.794 3.986 20 0 EHADLO O=C(CCCc1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072650892 1123137646 /nfs/dbraw/zinc/13/76/46/1123137646.db2.gz TVZYZJBPPDWGAN-UHFFFAOYSA-N 1 2 344.480 3.542 20 0 EHADLO CN(C(=O)C[NH2+]C(C)(C)c1nccs1)[C@@H]1CCCc2ccccc21 ZINC000072662554 1123138692 /nfs/dbraw/zinc/13/86/92/1123138692.db2.gz VAOJSLZIFAYZHH-MRXNPFEDSA-N 1 2 343.496 3.504 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(Cl)cc1 ZINC000072674280 1123140669 /nfs/dbraw/zinc/14/06/69/1123140669.db2.gz MMLWSFYANMZBAO-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000072674352 1123140680 /nfs/dbraw/zinc/14/06/80/1123140680.db2.gz MXROSZBUXQGJLG-OAQYLSRUSA-N 1 2 347.418 3.519 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000556842860 1123146688 /nfs/dbraw/zinc/14/66/88/1123146688.db2.gz SOSICLBXAGATLY-FRFSOERESA-N 1 2 346.862 3.561 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1(c2ccccc2)CC1 ZINC000556859705 1123155200 /nfs/dbraw/zinc/15/52/00/1123155200.db2.gz TZFGYZWVICAQMN-IYARVYRRSA-N 1 2 335.451 3.653 20 0 EHADLO O=C(CCc1cccc(Cl)c1)NCCCCNc1cccc[nH+]1 ZINC000556946456 1123228100 /nfs/dbraw/zinc/22/81/00/1123228100.db2.gz HNHLLYUMHVGWRH-UHFFFAOYSA-N 1 2 331.847 3.676 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000132455621 1123231096 /nfs/dbraw/zinc/23/10/96/1123231096.db2.gz WKSKYFPABPSNSR-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccnc2)c(Cl)c1 ZINC000132455621 1123231100 /nfs/dbraw/zinc/23/11/00/1123231100.db2.gz WKSKYFPABPSNSR-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S ZINC000919942001 1123240193 /nfs/dbraw/zinc/24/01/93/1123240193.db2.gz KOOFRJAKJSIAQC-UHFFFAOYSA-N 1 2 341.383 3.773 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S ZINC000919942001 1123240195 /nfs/dbraw/zinc/24/01/95/1123240195.db2.gz KOOFRJAKJSIAQC-UHFFFAOYSA-N 1 2 341.383 3.773 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000074228118 1123270178 /nfs/dbraw/zinc/27/01/78/1123270178.db2.gz XFLIZCKKXSGITB-UHFFFAOYSA-N 1 2 327.334 3.736 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2ccsc2C1 ZINC000132825793 1123305437 /nfs/dbraw/zinc/30/54/37/1123305437.db2.gz BWPKRAQCZULDKI-CQSZACIVSA-N 1 2 333.457 3.600 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2ccsc2C1 ZINC000132825793 1123305441 /nfs/dbraw/zinc/30/54/41/1123305441.db2.gz BWPKRAQCZULDKI-CQSZACIVSA-N 1 2 333.457 3.600 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499264348 1123315300 /nfs/dbraw/zinc/31/53/00/1123315300.db2.gz SDISRBSHTZWIEY-QGZVFWFLSA-N 1 2 343.414 3.724 20 0 EHADLO CC(C)CCOCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499264348 1123315302 /nfs/dbraw/zinc/31/53/02/1123315302.db2.gz SDISRBSHTZWIEY-QGZVFWFLSA-N 1 2 343.414 3.724 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000609312199 1123316823 /nfs/dbraw/zinc/31/68/23/1123316823.db2.gz ADFIHKCZMGCXDK-UHFFFAOYSA-N 1 2 333.334 3.590 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000609312199 1123316825 /nfs/dbraw/zinc/31/68/25/1123316825.db2.gz ADFIHKCZMGCXDK-UHFFFAOYSA-N 1 2 333.334 3.590 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843060 1123431755 /nfs/dbraw/zinc/43/17/55/1123431755.db2.gz GGEJVBZTKDMIJB-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843060 1123431757 /nfs/dbraw/zinc/43/17/57/1123431757.db2.gz GGEJVBZTKDMIJB-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO CCc1cccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000920994643 1123445801 /nfs/dbraw/zinc/44/58/01/1123445801.db2.gz SCVGJFVDNSHTQL-INIZCTEOSA-N 1 2 330.501 3.847 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921200975 1123478449 /nfs/dbraw/zinc/47/84/49/1123478449.db2.gz DJKXYDQCHPXSET-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201170 1123478458 /nfs/dbraw/zinc/47/84/58/1123478458.db2.gz OHLCASYMKOUTKU-FUHWJXTLSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)o1 ZINC000076546782 1123500080 /nfs/dbraw/zinc/50/00/80/1123500080.db2.gz KZJPZESERNPCFL-HNNXBMFYSA-N 1 2 340.423 3.986 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)o1 ZINC000076546782 1123500085 /nfs/dbraw/zinc/50/00/85/1123500085.db2.gz KZJPZESERNPCFL-HNNXBMFYSA-N 1 2 340.423 3.986 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](c2ccco2)C1 ZINC000609512877 1123602921 /nfs/dbraw/zinc/60/29/21/1123602921.db2.gz YUMKOLBLCYWQIL-CQSZACIVSA-N 1 2 336.391 3.998 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609537080 1123606246 /nfs/dbraw/zinc/60/62/46/1123606246.db2.gz VFDGWUHKLZPWIX-VQTJNVASSA-N 1 2 339.435 3.754 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609537080 1123606248 /nfs/dbraw/zinc/60/62/48/1123606248.db2.gz VFDGWUHKLZPWIX-VQTJNVASSA-N 1 2 339.435 3.754 20 0 EHADLO CCOC(=O)c1c(C(C)C)csc1NC(=O)CCCn1cc[nH+]c1 ZINC000609563492 1123609794 /nfs/dbraw/zinc/60/97/94/1123609794.db2.gz HWCQTGZXLXJZCE-UHFFFAOYSA-N 1 2 349.456 3.664 20 0 EHADLO COc1c(C)c[nH+]c(CSc2n[nH]c(-c3ccccc3F)n2)c1C ZINC000078708014 1123647043 /nfs/dbraw/zinc/64/70/43/1123647043.db2.gz DHSLQFBHHXUREG-UHFFFAOYSA-N 1 2 344.415 3.924 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1C(F)(F)F ZINC000136282514 1123682860 /nfs/dbraw/zinc/68/28/60/1123682860.db2.gz GYBAWGUMYXFLSE-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Cc1nc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000922134709 1129139985 /nfs/dbraw/zinc/13/99/85/1129139985.db2.gz RJINFIKMZSQMLO-NOZJJQNGSA-N 1 2 339.258 3.826 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCSC2(CCCCC2)C1 ZINC000079976063 1123732896 /nfs/dbraw/zinc/73/28/96/1123732896.db2.gz MNSSDFHCONRDGT-UHFFFAOYSA-N 1 2 341.480 3.764 20 0 EHADLO CCCCc1nc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cs1 ZINC000081018903 1123771689 /nfs/dbraw/zinc/77/16/89/1123771689.db2.gz LOTYYGGUWUXALI-UHFFFAOYSA-N 1 2 345.512 3.509 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000081574132 1123848839 /nfs/dbraw/zinc/84/88/39/1123848839.db2.gz PHVDHMLRCKJCFD-ACJLOTCBSA-N 1 2 346.377 3.920 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccccc1 ZINC000081574132 1123848844 /nfs/dbraw/zinc/84/88/44/1123848844.db2.gz PHVDHMLRCKJCFD-ACJLOTCBSA-N 1 2 346.377 3.920 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000081574092 1123849502 /nfs/dbraw/zinc/84/95/02/1123849502.db2.gz QOCPZYRWQKRRMI-SIFCLUCFSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000081574092 1123849506 /nfs/dbraw/zinc/84/95/06/1123849506.db2.gz QOCPZYRWQKRRMI-SIFCLUCFSA-N 1 2 336.435 3.909 20 0 EHADLO CC(C)CCOC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000179759761 1123850123 /nfs/dbraw/zinc/85/01/23/1123850123.db2.gz PHEALKCYNZPUPD-UHFFFAOYSA-N 1 2 345.491 3.613 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000245503357 1123852353 /nfs/dbraw/zinc/85/23/53/1123852353.db2.gz CVLFRFNRBDJSHB-QRFRQXIXSA-N 1 2 337.467 3.606 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000245525321 1123862877 /nfs/dbraw/zinc/86/28/77/1123862877.db2.gz BDFLTTPBRNEPQO-QRWLVFNGSA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000245525321 1123862883 /nfs/dbraw/zinc/86/28/83/1123862883.db2.gz BDFLTTPBRNEPQO-QRWLVFNGSA-N 1 2 343.446 3.727 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOC[C@@H]3C)cc2)C12CCC2 ZINC000179947796 1123905008 /nfs/dbraw/zinc/90/50/08/1123905008.db2.gz XCJGCHSJAGZZDW-ZYSHUDEJSA-N 1 2 330.472 3.671 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721191 1123936556 /nfs/dbraw/zinc/93/65/56/1123936556.db2.gz WDJVFGRGUAOYFP-PKOBYXMFSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721191 1123936560 /nfs/dbraw/zinc/93/65/60/1123936560.db2.gz WDJVFGRGUAOYFP-PKOBYXMFSA-N 1 2 336.426 3.797 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000616208028 1123962810 /nfs/dbraw/zinc/96/28/10/1123962810.db2.gz QJVOENOIUYAWFC-QGZVFWFLSA-N 1 2 333.863 3.562 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180268725 1123972682 /nfs/dbraw/zinc/97/26/82/1123972682.db2.gz ULTUDZFUWCKRRX-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180268725 1123972685 /nfs/dbraw/zinc/97/26/85/1123972685.db2.gz ULTUDZFUWCKRRX-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(F)cc1Cl ZINC000246133023 1124029812 /nfs/dbraw/zinc/02/98/12/1124029812.db2.gz MPEFZJMNZSUUHG-HUUCEWRRSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(F)cc1Cl ZINC000246133023 1124029817 /nfs/dbraw/zinc/02/98/17/1124029817.db2.gz MPEFZJMNZSUUHG-HUUCEWRRSA-N 1 2 342.867 3.778 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1C ZINC000246137311 1124030555 /nfs/dbraw/zinc/03/05/55/1124030555.db2.gz RUNNQNUOBISBBK-WWGRRREGSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1C ZINC000246137311 1124030560 /nfs/dbraw/zinc/03/05/60/1124030560.db2.gz RUNNQNUOBISBBK-WWGRRREGSA-N 1 2 349.452 3.959 20 0 EHADLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000180779275 1124076725 /nfs/dbraw/zinc/07/67/25/1124076725.db2.gz QGAAFBBAJAKPFU-FNORWQNLSA-N 1 2 327.727 3.792 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000446255029 1124093522 /nfs/dbraw/zinc/09/35/22/1124093522.db2.gz GKZSGFXIJHMFHS-RDJZCZTQSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000617178634 1124095012 /nfs/dbraw/zinc/09/50/12/1124095012.db2.gz OESRWZJKPFFREO-IBGZPJMESA-N 1 2 346.434 3.861 20 0 EHADLO CO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2C)C12CCC2 ZINC000453183775 1129173296 /nfs/dbraw/zinc/17/32/96/1129173296.db2.gz GZHFITWAARJOEK-QZTJIDSGSA-N 1 2 332.513 3.918 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734525228 1131246848 /nfs/dbraw/zinc/24/68/48/1131246848.db2.gz MTIPLTXGTDGFMA-IRXDYDNUSA-N 1 2 340.471 3.888 20 0 EHADLO Cc1sc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)nc1C(C)C ZINC000617245507 1124455238 /nfs/dbraw/zinc/45/52/38/1124455238.db2.gz CRJYMTWQDKSELS-UHFFFAOYSA-N 1 2 328.441 3.712 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1-c1ccncc1 ZINC000615175458 1124470682 /nfs/dbraw/zinc/47/06/82/1124470682.db2.gz GGLHUMDRMMOVRQ-QZTJIDSGSA-N 1 2 332.407 3.533 20 0 EHADLO Cc1ccc([C@@H](C[NH2+]Cc2cccc(Cl)c2O)N2CCCC2)o1 ZINC000181068320 1124502288 /nfs/dbraw/zinc/50/22/88/1124502288.db2.gz PUBDOLRNSJDOEO-MRXNPFEDSA-N 1 2 334.847 3.874 20 0 EHADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246930258 1124568043 /nfs/dbraw/zinc/56/80/43/1124568043.db2.gz QKBJMUSHWJAAMH-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246930258 1124568051 /nfs/dbraw/zinc/56/80/51/1124568051.db2.gz QKBJMUSHWJAAMH-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)C1=O ZINC000735070348 1131306221 /nfs/dbraw/zinc/30/62/21/1131306221.db2.gz KQFQBCMTLJODQZ-LJQANCHMSA-N 1 2 348.874 3.683 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1=O ZINC000735070348 1131306226 /nfs/dbraw/zinc/30/62/26/1131306226.db2.gz KQFQBCMTLJODQZ-LJQANCHMSA-N 1 2 348.874 3.683 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)OCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000181476615 1124870624 /nfs/dbraw/zinc/87/06/24/1124870624.db2.gz VLNMJWVZOPNVEH-CRAIPNDOSA-N 1 2 345.464 3.643 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)OCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000181476615 1124870632 /nfs/dbraw/zinc/87/06/32/1124870632.db2.gz VLNMJWVZOPNVEH-CRAIPNDOSA-N 1 2 345.464 3.643 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1c2ccccc2c2ccccc21 ZINC000618026676 1124926059 /nfs/dbraw/zinc/92/60/59/1124926059.db2.gz WRDZNQVVVJMIOY-MRXNPFEDSA-N 1 2 346.434 3.586 20 0 EHADLO CCS[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(C)C ZINC000572536826 1124999219 /nfs/dbraw/zinc/99/92/19/1124999219.db2.gz CESXZVYEPRLAIE-BFYDXBDKSA-N 1 2 335.517 3.699 20 0 EHADLO Cc1ccnc(Oc2ccc(C(=O)Nc3cc(C)[nH+]cc3C)cc2)c1 ZINC001127647587 1125016115 /nfs/dbraw/zinc/01/61/15/1125016115.db2.gz ZOPQHVCLEYJAHS-UHFFFAOYSA-N 1 2 333.391 3.868 20 0 EHADLO CCCn1c(=S)n(C[N@H+](CC)CC2CC2)nc1-c1ccncc1 ZINC000069797309 1125062168 /nfs/dbraw/zinc/06/21/68/1125062168.db2.gz ZYDTWELMYJKYEY-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](CC)CC2CC2)nc1-c1ccncc1 ZINC000069797309 1125062174 /nfs/dbraw/zinc/06/21/74/1125062174.db2.gz ZYDTWELMYJKYEY-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO Brc1ccoc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000735320871 1131331002 /nfs/dbraw/zinc/33/10/02/1131331002.db2.gz QAPIKXVJUYFAJP-UHFFFAOYSA-N 1 2 332.201 3.518 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc(OC)c1 ZINC000093478423 1125259863 /nfs/dbraw/zinc/25/98/63/1125259863.db2.gz NBZIPGZONXQDMO-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc(OC)c1 ZINC000093478423 1125259867 /nfs/dbraw/zinc/25/98/67/1125259867.db2.gz NBZIPGZONXQDMO-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)ccc1F ZINC000093637634 1125279219 /nfs/dbraw/zinc/27/92/19/1125279219.db2.gz BKHRJQWCDGMXCP-KRWDZBQOSA-N 1 2 331.435 3.728 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)ccc1F ZINC000093637634 1125279224 /nfs/dbraw/zinc/27/92/24/1125279224.db2.gz BKHRJQWCDGMXCP-KRWDZBQOSA-N 1 2 331.435 3.728 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000254973912 1125356997 /nfs/dbraw/zinc/35/69/97/1125356997.db2.gz DOVXAGCVEMQHPP-PLNGDYQASA-N 1 2 349.356 3.779 20 0 EHADLO Cc1cc[nH+]c(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000182788297 1125367019 /nfs/dbraw/zinc/36/70/19/1125367019.db2.gz PNVDCMBKBAPVAC-UHFFFAOYSA-N 1 2 329.709 3.819 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cs1 ZINC000619738829 1125391785 /nfs/dbraw/zinc/39/17/85/1125391785.db2.gz GHFZVMPVCDHMLS-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO C[N@@H+](Cc1scnc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001137825011 1129186718 /nfs/dbraw/zinc/18/67/18/1129186718.db2.gz SSCHWHWTPXJOHX-NSHDSACASA-N 1 2 345.896 3.628 20 0 EHADLO C[N@H+](Cc1scnc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001137825011 1129186720 /nfs/dbraw/zinc/18/67/20/1129186720.db2.gz SSCHWHWTPXJOHX-NSHDSACASA-N 1 2 345.896 3.628 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682514894 1129221843 /nfs/dbraw/zinc/22/18/43/1129221843.db2.gz JDJPPDYWHRIGHE-OAHLLOKOSA-N 1 2 339.483 3.795 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000657338907 1129266554 /nfs/dbraw/zinc/26/65/54/1129266554.db2.gz IIATZZNGVPYEKY-UHFFFAOYSA-N 1 2 328.460 3.860 20 0 EHADLO O=C1NCCC[C@H]1[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543151058 1129288583 /nfs/dbraw/zinc/28/85/83/1129288583.db2.gz KNHOBCSRWNTICJ-IAGOWNOFSA-N 1 2 349.261 3.951 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Cl)cc1OCC(F)F ZINC000673317156 1129291802 /nfs/dbraw/zinc/29/18/02/1129291802.db2.gz MBENHFVCMSNFNN-UHFFFAOYSA-N 1 2 343.761 3.599 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCCC1 ZINC000067645446 1129292250 /nfs/dbraw/zinc/29/22/50/1129292250.db2.gz KDHHWUQMJNGHRN-UHFFFAOYSA-N 1 2 344.434 3.876 20 0 EHADLO Cc1cccc(N2CCN(Cc3ccc(F)c(Cl)c3F)CC2)[nH+]1 ZINC001143615908 1129293679 /nfs/dbraw/zinc/29/36/79/1129293679.db2.gz KXYQOSZGCIINGQ-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3CO)cs2)cc1 ZINC000543196345 1129331240 /nfs/dbraw/zinc/33/12/40/1129331240.db2.gz RIQCTVFCZLZVHG-QGZVFWFLSA-N 1 2 348.537 3.843 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+]3CCSC[C@H]3CO)cs2)cc1 ZINC000543196345 1129331245 /nfs/dbraw/zinc/33/12/45/1129331245.db2.gz RIQCTVFCZLZVHG-QGZVFWFLSA-N 1 2 348.537 3.843 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(Cl)sc1Cl ZINC000068255001 1129355759 /nfs/dbraw/zinc/35/57/59/1129355759.db2.gz MIXDJYAGIHPEAP-UHFFFAOYSA-N 1 2 341.263 3.801 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000466286977 1129363649 /nfs/dbraw/zinc/36/36/49/1129363649.db2.gz LTNODPHSVCJKSS-OAHLLOKOSA-N 1 2 344.434 3.733 20 0 EHADLO Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000068524179 1129377775 /nfs/dbraw/zinc/37/77/75/1129377775.db2.gz MBBCCJBFHNVDOP-UHFFFAOYSA-N 1 2 329.831 3.786 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2=S)cc1 ZINC000735666171 1131371018 /nfs/dbraw/zinc/37/10/18/1131371018.db2.gz CTYNJIUCEZLQHT-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2=S)cc1 ZINC000735666171 1131371023 /nfs/dbraw/zinc/37/10/23/1131371023.db2.gz CTYNJIUCEZLQHT-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO Cc1cccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000081317192 1129413062 /nfs/dbraw/zinc/41/30/62/1129413062.db2.gz QFRRIUDZPNIRMD-LJQANCHMSA-N 1 2 333.435 3.751 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000081317740 1129413086 /nfs/dbraw/zinc/41/30/86/1129413086.db2.gz ZSQZZAJUIUZNKA-OAHLLOKOSA-N 1 2 325.437 3.504 20 0 EHADLO CCc1ccsc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081319009 1129413649 /nfs/dbraw/zinc/41/36/49/1129413649.db2.gz GSQQLKGMWIOHDG-INIZCTEOSA-N 1 2 339.464 3.758 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000499769675 1129472256 /nfs/dbraw/zinc/47/22/56/1129472256.db2.gz BWWFQYXHKDEHSY-FUHWJXTLSA-N 1 2 333.428 3.765 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000499769675 1129472259 /nfs/dbraw/zinc/47/22/59/1129472259.db2.gz BWWFQYXHKDEHSY-FUHWJXTLSA-N 1 2 333.428 3.765 20 0 EHADLO CCN(C(=O)C[NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000922475880 1129545843 /nfs/dbraw/zinc/54/58/43/1129545843.db2.gz YIGDVJNNOWYAHI-UHFFFAOYSA-N 1 2 331.485 3.583 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)n1 ZINC000922491417 1129553215 /nfs/dbraw/zinc/55/32/15/1129553215.db2.gz MBFRBBZAAFPZGS-UHFFFAOYSA-N 1 2 345.443 3.894 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC000347722822 1129565400 /nfs/dbraw/zinc/56/54/00/1129565400.db2.gz RVIXTQCRDOTBKZ-OAHLLOKOSA-N 1 2 339.414 3.645 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC000347722822 1129565402 /nfs/dbraw/zinc/56/54/02/1129565402.db2.gz RVIXTQCRDOTBKZ-OAHLLOKOSA-N 1 2 339.414 3.645 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922575668 1129577739 /nfs/dbraw/zinc/57/77/39/1129577739.db2.gz DEAALOZWMOMWDO-WBVHZDCISA-N 1 2 334.460 3.863 20 0 EHADLO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cn1 ZINC000922579215 1129579724 /nfs/dbraw/zinc/57/97/24/1129579724.db2.gz QGISAULNLJUYMZ-HXUWFJFHSA-N 1 2 345.450 3.880 20 0 EHADLO Cc1ccc(OC(F)F)c(CN(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428940198 1129625277 /nfs/dbraw/zinc/62/52/77/1129625277.db2.gz PERRGSAJKAGOSJ-UHFFFAOYSA-N 1 2 335.398 3.761 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000428958320 1129637921 /nfs/dbraw/zinc/63/79/21/1129637921.db2.gz CHQUQPSBZSXCGO-GVDBMIGSSA-N 1 2 334.508 3.692 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2Cl)cc(OC)c1O ZINC000347772182 1129721454 /nfs/dbraw/zinc/72/14/54/1129721454.db2.gz DIJRWCVBBVCCJQ-UHFFFAOYSA-N 1 2 339.794 3.834 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2Cl)cc(OC)c1O ZINC000347772182 1129721457 /nfs/dbraw/zinc/72/14/57/1129721457.db2.gz DIJRWCVBBVCCJQ-UHFFFAOYSA-N 1 2 339.794 3.834 20 0 EHADLO CCc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126128825 1129736828 /nfs/dbraw/zinc/73/68/28/1129736828.db2.gz RHFQODXLRWPMOJ-UHFFFAOYSA-N 1 2 338.451 3.642 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133299 1129741568 /nfs/dbraw/zinc/74/15/68/1129741568.db2.gz YNWFTAVHKDZCTG-IAGOWNOFSA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133299 1129741571 /nfs/dbraw/zinc/74/15/71/1129741571.db2.gz YNWFTAVHKDZCTG-IAGOWNOFSA-N 1 2 327.827 3.668 20 0 EHADLO CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000429077932 1129744848 /nfs/dbraw/zinc/74/48/48/1129744848.db2.gz MFOYKAAUSHVQMM-CABCVRRESA-N 1 2 332.473 3.829 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cnc2ccccn12 ZINC000158995058 1129752273 /nfs/dbraw/zinc/75/22/73/1129752273.db2.gz BPPINKQVEFWJOT-UHFFFAOYSA-N 1 2 349.438 3.723 20 0 EHADLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000014228701 1129803509 /nfs/dbraw/zinc/80/35/09/1129803509.db2.gz IYNWEQIRFNYMLC-SFHVURJKSA-N 1 2 328.431 3.782 20 0 EHADLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000014228701 1129803513 /nfs/dbraw/zinc/80/35/13/1129803513.db2.gz IYNWEQIRFNYMLC-SFHVURJKSA-N 1 2 328.431 3.782 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccccc3OC3CCC3)[nH+]c12 ZINC000673726533 1129812225 /nfs/dbraw/zinc/81/22/25/1129812225.db2.gz WWVAIOIPRARGEO-UHFFFAOYSA-N 1 2 349.434 3.547 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@]3(C)CCCc4ccccc43)[nH+]c12 ZINC000673727169 1129813382 /nfs/dbraw/zinc/81/33/82/1129813382.db2.gz SJSWTGAXZLLNFD-QFIPXVFZSA-N 1 2 347.462 3.596 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)c(Cl)c3)[nH+]c12 ZINC000673758707 1129834658 /nfs/dbraw/zinc/83/46/58/1129834658.db2.gz XPIWHMVKRGDCBY-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)C3CCCCCC3)[nH+]c12 ZINC000673779957 1129842903 /nfs/dbraw/zinc/84/29/03/1129842903.db2.gz QXJCIBYQRKGZRF-UHFFFAOYSA-N 1 2 328.460 3.549 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3C3CCCC3)[nH+]c12 ZINC000673777316 1129845295 /nfs/dbraw/zinc/84/52/95/1129845295.db2.gz RZKIPRFRCRXFEH-SFHVURJKSA-N 1 2 340.471 3.549 20 0 EHADLO C[N@@H+]1CC[C@H](NCc2noc(C3CCC3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000625439266 1129872222 /nfs/dbraw/zinc/87/22/22/1129872222.db2.gz DZHCWLMEECFRET-DOTOQJQBSA-N 1 2 346.862 3.526 20 0 EHADLO C[N@H+]1CC[C@H](NCc2noc(C3CCC3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000625439266 1129872227 /nfs/dbraw/zinc/87/22/27/1129872227.db2.gz DZHCWLMEECFRET-DOTOQJQBSA-N 1 2 346.862 3.526 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282458821 1129891792 /nfs/dbraw/zinc/89/17/92/1129891792.db2.gz VYINVBNSADIHHP-ASNKMWSDSA-N 1 2 329.488 3.918 20 0 EHADLO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccon2)cc1 ZINC000673886627 1129895636 /nfs/dbraw/zinc/89/56/36/1129895636.db2.gz ZLOIUPPPKADFNR-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO COc1cc(C[NH2+]Cc2nc3ccccc3o2)cc(Cl)c1OC ZINC001649123372 1129954864 /nfs/dbraw/zinc/95/48/64/1129954864.db2.gz QXWFNYLIPRNZEX-UHFFFAOYSA-N 1 2 332.787 3.788 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013526 1129959890 /nfs/dbraw/zinc/95/98/90/1129959890.db2.gz OMSYMAQPQVBBSU-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013526 1129959893 /nfs/dbraw/zinc/95/98/93/1129959893.db2.gz OMSYMAQPQVBBSU-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651084 1129969216 /nfs/dbraw/zinc/96/92/16/1129969216.db2.gz ZAVIVAYZCMDPIY-SDDRHHMPSA-N 1 2 330.806 3.890 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387575 1129985401 /nfs/dbraw/zinc/98/54/01/1129985401.db2.gz DMXOHAWRHPJPOH-CHWSQXEVSA-N 1 2 343.298 3.930 20 0 EHADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387575 1129985402 /nfs/dbraw/zinc/98/54/02/1129985402.db2.gz DMXOHAWRHPJPOH-CHWSQXEVSA-N 1 2 343.298 3.930 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000059389253 1129985415 /nfs/dbraw/zinc/98/54/15/1129985415.db2.gz NHPAMSIKLJEHBY-ZDUSSCGKSA-N 1 2 341.293 3.748 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000059389253 1129985417 /nfs/dbraw/zinc/98/54/17/1129985417.db2.gz NHPAMSIKLJEHBY-ZDUSSCGKSA-N 1 2 341.293 3.748 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CCCC1 ZINC000674076726 1129998158 /nfs/dbraw/zinc/99/81/58/1129998158.db2.gz OSCOXFRFXQEEQG-VOCYLRNQSA-N 1 2 326.484 3.670 20 0 EHADLO COc1ccc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc2n1 ZINC000171029120 1130001540 /nfs/dbraw/zinc/00/15/40/1130001540.db2.gz LRXGVDQHRNSJPW-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCO[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCCCC2 ZINC000674282641 1130052148 /nfs/dbraw/zinc/05/21/48/1130052148.db2.gz JVAFAJKNQLDBOY-HOTGVXAUSA-N 1 2 342.443 3.584 20 0 EHADLO COc1ccnc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000172226610 1130116797 /nfs/dbraw/zinc/11/67/97/1130116797.db2.gz DKBFTYFOLOQZSH-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO CC[C@@H]([NH2+]Cc1sc(C)cc1Br)c1ccn(C)n1 ZINC000658226372 1130286888 /nfs/dbraw/zinc/28/68/88/1130286888.db2.gz NQDCRNRVLGAUSK-LLVKDONJSA-N 1 2 328.279 3.793 20 0 EHADLO CCCC1(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CCC1 ZINC000675220784 1130286985 /nfs/dbraw/zinc/28/69/85/1130286985.db2.gz FJCVTAQMVJMSCD-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nccc(OC)c3F)oc21 ZINC000658228209 1130287766 /nfs/dbraw/zinc/28/77/66/1130287766.db2.gz OWTMJNMSFGKWRT-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO COc1ccc(COCC[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000675309495 1130310419 /nfs/dbraw/zinc/31/04/19/1130310419.db2.gz MMFWEDHHXKJOPQ-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO COc1ccc(COCC[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000675309495 1130310426 /nfs/dbraw/zinc/31/04/26/1130310426.db2.gz MMFWEDHHXKJOPQ-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO FC(F)(F)c1cccc(-c2noc(Cn3cc[nH+]c3)n2)c1Cl ZINC001212536570 1130321806 /nfs/dbraw/zinc/32/18/06/1130321806.db2.gz ORZROVLDZSBEOY-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174462954 1130360211 /nfs/dbraw/zinc/36/02/11/1130360211.db2.gz WVXPOSRREGIIAT-YCRPNKLZSA-N 1 2 333.435 3.900 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174462954 1130360218 /nfs/dbraw/zinc/36/02/18/1130360218.db2.gz WVXPOSRREGIIAT-YCRPNKLZSA-N 1 2 333.435 3.900 20 0 EHADLO COC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1 ZINC001129033970 1130436663 /nfs/dbraw/zinc/43/66/63/1130436663.db2.gz BLCDJSFHBRYWMP-MRXNPFEDSA-N 1 2 346.858 3.820 20 0 EHADLO c1cnn(C[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)c2ccccc2)c1 ZINC000675647284 1130438679 /nfs/dbraw/zinc/43/86/79/1130438679.db2.gz PJDZOKKXXIRLSI-FQEVSTJZSA-N 1 2 335.455 3.726 20 0 EHADLO Cc1ccc(-c2noc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)n2)cc1 ZINC000675975005 1130513522 /nfs/dbraw/zinc/51/35/22/1130513522.db2.gz QJSRLKLDWYCAJK-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO ClC1(Cl)C[C@@H]1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001118053940 1130553709 /nfs/dbraw/zinc/55/37/09/1130553709.db2.gz PADTZVDOCITDMW-OAHLLOKOSA-N 1 2 346.323 3.946 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000727824129 1130601268 /nfs/dbraw/zinc/60/12/68/1130601268.db2.gz MMNQFNYZJYJXHZ-ZDUSSCGKSA-N 1 2 349.456 3.722 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000727824129 1130601271 /nfs/dbraw/zinc/60/12/71/1130601271.db2.gz MMNQFNYZJYJXHZ-ZDUSSCGKSA-N 1 2 349.456 3.722 20 0 EHADLO Brc1cnn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000729985354 1130662476 /nfs/dbraw/zinc/66/24/76/1130662476.db2.gz LXXHWWLOMIBRBI-HNNXBMFYSA-N 1 2 334.261 3.558 20 0 EHADLO Brc1cnn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000729985354 1130662478 /nfs/dbraw/zinc/66/24/78/1130662478.db2.gz LXXHWWLOMIBRBI-HNNXBMFYSA-N 1 2 334.261 3.558 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000731445328 1130797780 /nfs/dbraw/zinc/79/77/80/1130797780.db2.gz JLHPFOCMOMRLRS-UHFFFAOYSA-N 1 2 342.786 3.631 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000731875521 1130852208 /nfs/dbraw/zinc/85/22/08/1130852208.db2.gz HHFFGULHQZXPBO-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000731875521 1130852211 /nfs/dbraw/zinc/85/22/11/1130852211.db2.gz HHFFGULHQZXPBO-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)Oc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000731977553 1130871766 /nfs/dbraw/zinc/87/17/66/1130871766.db2.gz NPPPSRYHHVHDFS-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO CC(C)Oc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000731977553 1130871770 /nfs/dbraw/zinc/87/17/70/1130871770.db2.gz NPPPSRYHHVHDFS-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO O[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000732230607 1130903605 /nfs/dbraw/zinc/90/36/05/1130903605.db2.gz USOLECKWNSQURE-INIZCTEOSA-N 1 2 336.222 3.693 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCCC3(CCCCC3)C2)c1C ZINC000732459644 1130926615 /nfs/dbraw/zinc/92/66/15/1130926615.db2.gz WWZGLQDSMVFJJC-UHFFFAOYSA-N 1 2 345.487 3.963 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987497 1130978956 /nfs/dbraw/zinc/97/89/56/1130978956.db2.gz WMKMRGNGOMBGTJ-YJYMSZOUSA-N 1 2 348.437 3.891 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987497 1130978960 /nfs/dbraw/zinc/97/89/60/1130978960.db2.gz WMKMRGNGOMBGTJ-YJYMSZOUSA-N 1 2 348.437 3.891 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987495 1130979667 /nfs/dbraw/zinc/97/96/67/1130979667.db2.gz WMKMRGNGOMBGTJ-DJJJIMSYSA-N 1 2 348.437 3.891 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987495 1130979668 /nfs/dbraw/zinc/97/96/68/1130979668.db2.gz WMKMRGNGOMBGTJ-DJJJIMSYSA-N 1 2 348.437 3.891 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000733030242 1130983244 /nfs/dbraw/zinc/98/32/44/1130983244.db2.gz RNXQNYCLPZCNQR-GOSISDBHSA-N 1 2 336.426 3.893 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000733030242 1130983249 /nfs/dbraw/zinc/98/32/49/1130983249.db2.gz RNXQNYCLPZCNQR-GOSISDBHSA-N 1 2 336.426 3.893 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733290042 1131017564 /nfs/dbraw/zinc/01/75/64/1131017564.db2.gz VPOOOIGMELREII-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733290042 1131017568 /nfs/dbraw/zinc/01/75/68/1131017568.db2.gz VPOOOIGMELREII-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCc3ccc(Br)cc32)n1 ZINC000348070212 1131139217 /nfs/dbraw/zinc/13/92/17/1131139217.db2.gz CZZANWHDDZMDMD-OTYXRUKQSA-N 1 2 336.233 3.869 20 0 EHADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627237 1131428603 /nfs/dbraw/zinc/42/86/03/1131428603.db2.gz DQBXREOORBDYMP-XMQCVEROSA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC000736627237 1131428604 /nfs/dbraw/zinc/42/86/04/1131428604.db2.gz DQBXREOORBDYMP-XMQCVEROSA-N 1 2 327.449 3.927 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052651 1131460904 /nfs/dbraw/zinc/46/09/04/1131460904.db2.gz DOOIUIFOXVFPOC-BBRMVZONSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052651 1131460907 /nfs/dbraw/zinc/46/09/07/1131460907.db2.gz DOOIUIFOXVFPOC-BBRMVZONSA-N 1 2 333.407 3.501 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@H]2C)nc1-c1ccncc1 ZINC000738220921 1131464122 /nfs/dbraw/zinc/46/41/22/1131464122.db2.gz AMKVVPNKTVRNGD-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@H]2C)nc1-c1ccncc1 ZINC000738220921 1131464125 /nfs/dbraw/zinc/46/41/25/1131464125.db2.gz AMKVVPNKTVRNGD-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)C1 ZINC000738255646 1131464727 /nfs/dbraw/zinc/46/47/27/1131464727.db2.gz FRMXSWRYXSVBLF-SUMDDJOVSA-N 1 2 332.513 3.627 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)C1 ZINC000738255646 1131464732 /nfs/dbraw/zinc/46/47/32/1131464732.db2.gz FRMXSWRYXSVBLF-SUMDDJOVSA-N 1 2 332.513 3.627 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000738298211 1131467237 /nfs/dbraw/zinc/46/72/37/1131467237.db2.gz FQZFPLFSSKPGHH-IBGZPJMESA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000738342404 1131470878 /nfs/dbraw/zinc/47/08/78/1131470878.db2.gz VNUGDLSYNWELNW-OAHLLOKOSA-N 1 2 326.465 3.729 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000738342404 1131470881 /nfs/dbraw/zinc/47/08/81/1131470881.db2.gz VNUGDLSYNWELNW-OAHLLOKOSA-N 1 2 326.465 3.729 20 0 EHADLO CC[C@H](c1nn(C[N@@H+]2CC[C@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866917 1131512244 /nfs/dbraw/zinc/51/22/44/1131512244.db2.gz IGPLKYNQYWOMTM-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@H](c1nn(C[N@H+]2CC[C@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866917 1131512247 /nfs/dbraw/zinc/51/22/47/1131512247.db2.gz IGPLKYNQYWOMTM-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000740001263 1131516010 /nfs/dbraw/zinc/51/60/10/1131516010.db2.gz IWJWXFIJHKIYJS-SFHVURJKSA-N 1 2 343.858 3.932 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C[C@H]1C ZINC000751929235 1131537062 /nfs/dbraw/zinc/53/70/62/1131537062.db2.gz PGLNZJAJULMCFY-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C[C@H]1C ZINC000751929235 1131537066 /nfs/dbraw/zinc/53/70/66/1131537066.db2.gz PGLNZJAJULMCFY-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146815 1131583051 /nfs/dbraw/zinc/58/30/51/1131583051.db2.gz CIZSZVMACQSHHW-KRWDZBQOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000741146815 1131583055 /nfs/dbraw/zinc/58/30/55/1131583055.db2.gz CIZSZVMACQSHHW-KRWDZBQOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000741151083 1131583727 /nfs/dbraw/zinc/58/37/27/1131583727.db2.gz VCSYQYVDBNYBRE-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000741151083 1131583729 /nfs/dbraw/zinc/58/37/29/1131583729.db2.gz VCSYQYVDBNYBRE-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CCc1nn(C)cc1C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000179682524 1131586354 /nfs/dbraw/zinc/58/63/54/1131586354.db2.gz ZTZFSDIXFZLWPD-GFCCVEGCSA-N 1 2 336.277 3.938 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000179682524 1131586358 /nfs/dbraw/zinc/58/63/58/1131586358.db2.gz ZTZFSDIXFZLWPD-GFCCVEGCSA-N 1 2 336.277 3.938 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000179881819 1131599294 /nfs/dbraw/zinc/59/92/94/1131599294.db2.gz OVDGWSRIXDRLGI-JOCHJYFZSA-N 1 2 345.446 3.751 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000179881819 1131599296 /nfs/dbraw/zinc/59/92/96/1131599296.db2.gz OVDGWSRIXDRLGI-JOCHJYFZSA-N 1 2 345.446 3.751 20 0 EHADLO CCCCCC[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741889544 1131660371 /nfs/dbraw/zinc/66/03/71/1131660371.db2.gz QHZXZIWQWXHNSF-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCCC[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741889544 1131660374 /nfs/dbraw/zinc/66/03/74/1131660374.db2.gz QHZXZIWQWXHNSF-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO CC(C)C[N@H+](Cc1cncnc1)Cc1ccccc1Br ZINC000180201653 1131666172 /nfs/dbraw/zinc/66/61/72/1131666172.db2.gz VDMYARLPEXFDPT-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO CC(C)C[N@@H+](Cc1cncnc1)Cc1ccccc1Br ZINC000180201653 1131666174 /nfs/dbraw/zinc/66/61/74/1131666174.db2.gz VDMYARLPEXFDPT-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000180222909 1131671909 /nfs/dbraw/zinc/67/19/09/1131671909.db2.gz IVYSTSITYSQPCU-WDEREUQCSA-N 1 2 327.350 3.855 20 0 EHADLO CCC1(O)CC[NH+](Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000742172347 1131692402 /nfs/dbraw/zinc/69/24/02/1131692402.db2.gz ZMAJMOAPOANNPZ-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143619633 1131745695 /nfs/dbraw/zinc/74/56/95/1131745695.db2.gz XSGJYAQYWAZYBU-IRXDYDNUSA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143619633 1131745703 /nfs/dbraw/zinc/74/57/03/1131745703.db2.gz XSGJYAQYWAZYBU-IRXDYDNUSA-N 1 2 334.435 3.718 20 0 EHADLO CC(C)(C)c1ccc(O)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212670461 1131780629 /nfs/dbraw/zinc/78/06/29/1131780629.db2.gz YLBDDDYDKHBEGA-UHFFFAOYSA-N 1 2 326.440 3.610 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542069 1131782370 /nfs/dbraw/zinc/78/23/70/1131782370.db2.gz FOEYFPQZUJWWBS-KZNAEPCWSA-N 1 2 335.513 3.987 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4cnccc4c3Cl)cc2)C1 ZINC001212671623 1131794169 /nfs/dbraw/zinc/79/41/69/1131794169.db2.gz RHQXWNPIDOOUKG-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000742857243 1131807465 /nfs/dbraw/zinc/80/74/65/1131807465.db2.gz DOFYHTHUGRRKQY-GDWUOILNSA-N 1 2 349.409 3.673 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2)[C@H]2CCCC=C21 ZINC001204100037 1131837163 /nfs/dbraw/zinc/83/71/63/1131837163.db2.gz GCMYDPJVFRHJOG-KRWDZBQOSA-N 1 2 344.455 3.881 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2)[C@H]2CCCC=C21 ZINC001204100037 1131837168 /nfs/dbraw/zinc/83/71/68/1131837168.db2.gz GCMYDPJVFRHJOG-KRWDZBQOSA-N 1 2 344.455 3.881 20 0 EHADLO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CC(Oc2cccnc2)C1 ZINC001172880360 1131896247 /nfs/dbraw/zinc/89/62/47/1131896247.db2.gz URZBGKUHNSSOFR-ZDUSSCGKSA-N 1 2 334.872 3.979 20 0 EHADLO CC[N@H+](CCc1cccs1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000743357302 1131900610 /nfs/dbraw/zinc/90/06/10/1131900610.db2.gz RXJXQHLEHVVXNM-UHFFFAOYSA-N 1 2 347.509 3.658 20 0 EHADLO CC[N@@H+](CCc1cccs1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000743357302 1131900612 /nfs/dbraw/zinc/90/06/12/1131900612.db2.gz RXJXQHLEHVVXNM-UHFFFAOYSA-N 1 2 347.509 3.658 20 0 EHADLO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3c(F)cccc3F)C2=O)cc1 ZINC000743473251 1131928553 /nfs/dbraw/zinc/92/85/53/1131928553.db2.gz USLAEGYMPXOIEQ-GUYCJALGSA-N 1 2 330.378 3.729 20 0 EHADLO Fc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cnc1Br ZINC001212695936 1131929385 /nfs/dbraw/zinc/92/93/85/1131929385.db2.gz YVRZGYUBCNZHPE-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO COCCOc1c(F)cccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699280 1131933796 /nfs/dbraw/zinc/93/37/96/1131933796.db2.gz XQKYNLLNAAXIEA-UHFFFAOYSA-N 1 2 341.386 3.839 20 0 EHADLO CCCCC[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743522739 1131936607 /nfs/dbraw/zinc/93/66/07/1131936607.db2.gz ZZNSKNXTYOAOAC-AEFFLSMTSA-N 1 2 342.487 3.972 20 0 EHADLO CCN1Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2C1=O ZINC001212697567 1131937128 /nfs/dbraw/zinc/93/71/28/1131937128.db2.gz GESJBDJXGLPYAJ-UHFFFAOYSA-N 1 2 332.407 3.651 20 0 EHADLO CCC(CC)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)SC ZINC000743564853 1131941819 /nfs/dbraw/zinc/94/18/19/1131941819.db2.gz JYQRURWZAFRMBR-UHFFFAOYSA-N 1 2 346.500 3.593 20 0 EHADLO O[C@H](C[N@@H+]1CCOC2(CCCCC2)C1)c1ccccc1C(F)(F)F ZINC000743853003 1131986731 /nfs/dbraw/zinc/98/67/31/1131986731.db2.gz YHQYQQNOMKYHDK-MRXNPFEDSA-N 1 2 343.389 3.774 20 0 EHADLO O[C@H](C[N@H+]1CCOC2(CCCCC2)C1)c1ccccc1C(F)(F)F ZINC000743853003 1131986737 /nfs/dbraw/zinc/98/67/37/1131986737.db2.gz YHQYQQNOMKYHDK-MRXNPFEDSA-N 1 2 343.389 3.774 20 0 EHADLO CCOC(=O)c1c2c(nn1C)C[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173349886 1132058728 /nfs/dbraw/zinc/05/87/28/1132058728.db2.gz SSJXPGUODUXJSN-OAHLLOKOSA-N 1 2 345.487 3.806 20 0 EHADLO CCOC(=O)c1c2c(nn1C)C[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173349886 1132058740 /nfs/dbraw/zinc/05/87/40/1132058740.db2.gz SSJXPGUODUXJSN-OAHLLOKOSA-N 1 2 345.487 3.806 20 0 EHADLO FC1(F)Oc2cccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)c2O1 ZINC001203254513 1132064136 /nfs/dbraw/zinc/06/41/36/1132064136.db2.gz DDPXLANENGXZQY-UHFFFAOYSA-N 1 2 341.745 3.552 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@@H](CC(C)C)C3)[nH]2)cc1 ZINC000744437623 1132099088 /nfs/dbraw/zinc/09/90/88/1132099088.db2.gz XIBAVRPQTYBUJF-AWEZNQCLSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@@H](CC(C)C)C3)[nH]2)cc1 ZINC000744437623 1132099096 /nfs/dbraw/zinc/09/90/96/1132099096.db2.gz XIBAVRPQTYBUJF-AWEZNQCLSA-N 1 2 346.500 3.942 20 0 EHADLO CSc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001173812701 1132143434 /nfs/dbraw/zinc/14/34/34/1132143434.db2.gz DZIYAIQEZZTANP-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CSc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001173813180 1132143618 /nfs/dbraw/zinc/14/36/18/1132143618.db2.gz XMWDDHJDIUEIJJ-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(OC)c(F)c3)c2c1 ZINC001173862694 1132157604 /nfs/dbraw/zinc/15/76/04/1132157604.db2.gz CLAWCFOHZBDQGQ-UHFFFAOYSA-N 1 2 340.354 3.725 20 0 EHADLO COC(=O)c1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001173963967 1132185048 /nfs/dbraw/zinc/18/50/48/1132185048.db2.gz WTEDPQORXJVBRB-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO COc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1F ZINC001173970963 1132185222 /nfs/dbraw/zinc/18/52/22/1132185222.db2.gz MPUAKOVCYLTKPD-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000745098156 1132193601 /nfs/dbraw/zinc/19/36/01/1132193601.db2.gz APPSUCMLNMVIRF-KRWDZBQOSA-N 1 2 330.428 3.708 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000745098156 1132193604 /nfs/dbraw/zinc/19/36/04/1132193604.db2.gz APPSUCMLNMVIRF-KRWDZBQOSA-N 1 2 330.428 3.708 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccc(C)cc1)c1ccccc1 ZINC000745100607 1132193735 /nfs/dbraw/zinc/19/37/35/1132193735.db2.gz MEQMUYHDMHQHDA-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccc(C)cc1)c1ccccc1 ZINC000745100607 1132193738 /nfs/dbraw/zinc/19/37/38/1132193738.db2.gz MEQMUYHDMHQHDA-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC1(C)[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C[C@@H]1c1ccccc1 ZINC000766329954 1132238197 /nfs/dbraw/zinc/23/81/97/1132238197.db2.gz FGOHIKQAUQANJJ-WOJBJXKFSA-N 1 2 349.478 3.617 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001174150850 1132255521 /nfs/dbraw/zinc/25/55/21/1132255521.db2.gz SQROLTHLKXETOI-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO O=C(NCc1ccco1)c1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001174153602 1132256706 /nfs/dbraw/zinc/25/67/06/1132256706.db2.gz GFSGXDTUKCBLDE-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001174270337 1132306563 /nfs/dbraw/zinc/30/65/63/1132306563.db2.gz WTRYLQHTWYWZKJ-UHFFFAOYSA-N 1 2 341.436 3.798 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001174269971 1132307127 /nfs/dbraw/zinc/30/71/27/1132307127.db2.gz OTZZSHRXVCPOER-UHFFFAOYSA-N 1 2 341.436 3.798 20 0 EHADLO Cn1c[nH+]c2ccc(-n3cc(Br)c4cccc(N)c43)cc21 ZINC001174350554 1132327597 /nfs/dbraw/zinc/32/75/97/1132327597.db2.gz KBTITQORQMKWMJ-UHFFFAOYSA-N 1 2 341.212 3.862 20 0 EHADLO COC(=O)c1ccc(N)c(N(C)c2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174384473 1132344484 /nfs/dbraw/zinc/34/44/84/1132344484.db2.gz GSUPFBZJFZCKFC-UHFFFAOYSA-N 1 2 338.411 3.754 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(F)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746027183 1132349983 /nfs/dbraw/zinc/34/99/83/1132349983.db2.gz XCTWXRWHRSURLV-UHFFFAOYSA-N 1 2 346.446 3.703 20 0 EHADLO CC(C)[N@H+](Cc1ccc(F)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746027183 1132349991 /nfs/dbraw/zinc/34/99/91/1132349991.db2.gz XCTWXRWHRSURLV-UHFFFAOYSA-N 1 2 346.446 3.703 20 0 EHADLO CC(=O)c1cc(F)ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446709 1132362795 /nfs/dbraw/zinc/36/27/95/1132362795.db2.gz MZQSNBDJHCGWEO-UHFFFAOYSA-N 1 2 328.387 3.604 20 0 EHADLO Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1OC[C@H]1CCCO1 ZINC001174411172 1132366494 /nfs/dbraw/zinc/36/64/94/1132366494.db2.gz NDRQESQEOQWJOH-CYBMUJFWSA-N 1 2 327.359 3.955 20 0 EHADLO CCC[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000746144157 1132383754 /nfs/dbraw/zinc/38/37/54/1132383754.db2.gz TVTQZLKKMTUYMT-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO CCC[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000746144157 1132383761 /nfs/dbraw/zinc/38/37/61/1132383761.db2.gz TVTQZLKKMTUYMT-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000746320000 1132434550 /nfs/dbraw/zinc/43/45/50/1132434550.db2.gz SDDUHNVEDKGNLW-UHFFFAOYSA-N 1 2 338.442 3.687 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000746320000 1132434553 /nfs/dbraw/zinc/43/45/53/1132434553.db2.gz SDDUHNVEDKGNLW-UHFFFAOYSA-N 1 2 338.442 3.687 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1N ZINC000746322876 1132438649 /nfs/dbraw/zinc/43/86/49/1132438649.db2.gz IYTJSXPBFFAONJ-UHFFFAOYSA-N 1 2 344.484 3.518 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000189066435 1132440831 /nfs/dbraw/zinc/44/08/31/1132440831.db2.gz BPXYFDVTCSAPPO-UHFFFAOYSA-N 1 2 345.802 3.992 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(Cl)c1SCC(F)F ZINC000189066435 1132440834 /nfs/dbraw/zinc/44/08/34/1132440834.db2.gz BPXYFDVTCSAPPO-UHFFFAOYSA-N 1 2 345.802 3.992 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc4c(c3)CCCO4)c[nH+]2)C[C@H](C)O1 ZINC001174719048 1132450937 /nfs/dbraw/zinc/45/09/37/1132450937.db2.gz FMDDXGVTZNHOIT-GASCZTMLSA-N 1 2 339.439 3.764 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193315799 1132479269 /nfs/dbraw/zinc/47/92/69/1132479269.db2.gz AEEATIPPDHPMGW-INIZCTEOSA-N 1 2 349.862 3.908 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193315799 1132479272 /nfs/dbraw/zinc/47/92/72/1132479272.db2.gz AEEATIPPDHPMGW-INIZCTEOSA-N 1 2 349.862 3.908 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2s1 ZINC000193378564 1132481017 /nfs/dbraw/zinc/48/10/17/1132481017.db2.gz FCJSCOLVAOEYLQ-UHFFFAOYSA-N 1 2 328.441 3.888 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2s1 ZINC000193378564 1132481026 /nfs/dbraw/zinc/48/10/26/1132481026.db2.gz FCJSCOLVAOEYLQ-UHFFFAOYSA-N 1 2 328.441 3.888 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(=CNc2cccc3[nH+]ccn32)CC1 ZINC001174844801 1132483526 /nfs/dbraw/zinc/48/35/26/1132483526.db2.gz NNXDBUVQUJLMAV-UHFFFAOYSA-N 1 2 328.416 3.661 20 0 EHADLO COc1cc(F)c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001174923932 1132506813 /nfs/dbraw/zinc/50/68/13/1132506813.db2.gz RVAPNDCJDMTXDG-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(-c2ccncc2)c1 ZINC001174976182 1132509647 /nfs/dbraw/zinc/50/96/47/1132509647.db2.gz MUEMYAPLIZHCJN-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)OCc1c[nH+]cn1C ZINC000766381987 1132524039 /nfs/dbraw/zinc/52/40/39/1132524039.db2.gz OISREGKMERIJFO-UHFFFAOYSA-N 1 2 344.455 3.928 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)cnn1-c1ccccc1 ZINC000766401273 1132530466 /nfs/dbraw/zinc/53/04/66/1132530466.db2.gz KUSRGFDQSBZZPJ-CYBMUJFWSA-N 1 2 341.484 3.554 20 0 EHADLO Clc1nccc2c(Nc3ccc(N4CCOCC4)[nH+]c3)cccc12 ZINC001174978643 1132533303 /nfs/dbraw/zinc/53/33/03/1132533303.db2.gz YABIHKFJRFAPGB-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)C2=O)cc1 ZINC001174984468 1132535373 /nfs/dbraw/zinc/53/53/73/1132535373.db2.gz PMAVJDLGGKGXBD-PMACEKPBSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+]3CC(C)(C)[C@@H]3c3cccnc3)C2=O)cc1 ZINC001174984468 1132535380 /nfs/dbraw/zinc/53/53/80/1132535380.db2.gz PMAVJDLGGKGXBD-PMACEKPBSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc([C@H](C)Nc2ccc(C)cc2C[NH+]2CCOCC2)nc1 ZINC001168860105 1132583169 /nfs/dbraw/zinc/58/31/69/1132583169.db2.gz HHIDXTIBIGEEEK-KRWDZBQOSA-N 1 2 325.456 3.704 20 0 EHADLO Oc1ccc(F)c(Nc2cc(Br)c3[nH+]ccn3c2)c1F ZINC001175264109 1132622437 /nfs/dbraw/zinc/62/24/37/1132622437.db2.gz RXSOYHKKIWDQMF-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000766560031 1132622478 /nfs/dbraw/zinc/62/24/78/1132622478.db2.gz QSUNDBOVESQZSI-RYUDHWBXSA-N 1 2 349.356 3.616 20 0 EHADLO CN(C)c1ccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)c[nH+]1 ZINC001175343429 1132627135 /nfs/dbraw/zinc/62/71/35/1132627135.db2.gz IGXHBCMWRDYPJD-OAHLLOKOSA-N 1 2 331.391 3.588 20 0 EHADLO COc1cc(Nc2ccc(N(C)C)[nH+]c2)c(C)cc1Br ZINC001175345389 1132627807 /nfs/dbraw/zinc/62/78/07/1132627807.db2.gz ALRJFQVLKMFRFF-UHFFFAOYSA-N 1 2 336.233 3.971 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345246 1132627862 /nfs/dbraw/zinc/62/78/62/1132627862.db2.gz SZKRMSIYKFKUSD-UHFFFAOYSA-N 1 2 327.306 3.798 20 0 EHADLO CC(=O)c1cc(Br)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175343103 1132628047 /nfs/dbraw/zinc/62/80/47/1132628047.db2.gz WQQUBOBPFOTOFB-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO COc1cc(F)cc(Br)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175346150 1132628668 /nfs/dbraw/zinc/62/86/68/1132628668.db2.gz OUKBZRBFNLIVLN-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO Cc1nc(Br)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175345946 1132628917 /nfs/dbraw/zinc/62/89/17/1132628917.db2.gz JYOPHNMISWZUPU-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Cc1c(Br)nccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347884 1132630478 /nfs/dbraw/zinc/63/04/78/1132630478.db2.gz VTKZJWUQGSVXMK-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001169024359 1132640604 /nfs/dbraw/zinc/64/06/04/1132640604.db2.gz LVSALEGHVAVFGI-CDHQVMDDSA-N 1 2 345.870 3.878 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001169024359 1132640608 /nfs/dbraw/zinc/64/06/08/1132640608.db2.gz LVSALEGHVAVFGI-CDHQVMDDSA-N 1 2 345.870 3.878 20 0 EHADLO Nc1cc(Br)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350468 1132645587 /nfs/dbraw/zinc/64/55/87/1132645587.db2.gz YZSCZEQAIGUKMJ-UHFFFAOYSA-N 1 2 333.233 3.770 20 0 EHADLO COC(=O)c1cc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c(C)c1 ZINC001175349733 1132645765 /nfs/dbraw/zinc/64/57/65/1132645765.db2.gz DVMFBIYVXJMTHR-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO OCc1cc(-c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)no1 ZINC001175352913 1132647405 /nfs/dbraw/zinc/64/74/05/1132647405.db2.gz PKZTZDZCRQJFBM-UHFFFAOYSA-N 1 2 336.395 3.573 20 0 EHADLO Cc1ccc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)cccc2[nH+]1 ZINC001175544075 1132688786 /nfs/dbraw/zinc/68/87/86/1132688786.db2.gz XECYVSRBQNGCCB-UHFFFAOYSA-N 1 2 347.418 3.759 20 0 EHADLO Cn1cc2c(cccc2Nc2cc(Br)c3[nH+]ccn3c2)n1 ZINC001175590412 1132706089 /nfs/dbraw/zinc/70/60/89/1132706089.db2.gz XTXYNWDIPBALPS-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC001169292318 1132718152 /nfs/dbraw/zinc/71/81/52/1132718152.db2.gz IHNBYFMJPZMBIU-SFHVURJKSA-N 1 2 327.399 3.703 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC001169292318 1132718154 /nfs/dbraw/zinc/71/81/54/1132718154.db2.gz IHNBYFMJPZMBIU-SFHVURJKSA-N 1 2 327.399 3.703 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001175606290 1132724284 /nfs/dbraw/zinc/72/42/84/1132724284.db2.gz JUGQDJHEZBYOGX-UHFFFAOYSA-N 1 2 332.407 3.567 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1CCCC[C@H](C)C1 ZINC001169395534 1132745814 /nfs/dbraw/zinc/74/58/14/1132745814.db2.gz JFNJMAFUZLZTRL-SWLSCSKDSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@H+]1CCCC[C@H](C)C1 ZINC001169395534 1132745821 /nfs/dbraw/zinc/74/58/21/1132745821.db2.gz JFNJMAFUZLZTRL-SWLSCSKDSA-N 1 2 340.261 3.785 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001175750295 1132752779 /nfs/dbraw/zinc/75/27/79/1132752779.db2.gz SYEGQQKWYUQSJI-RHSMWYFYSA-N 1 2 343.389 3.715 20 0 EHADLO COC(=O)c1scc(C)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709458 1132754314 /nfs/dbraw/zinc/75/43/14/1132754314.db2.gz CUJJHAYNKYELNY-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccnn2-c2ccc(F)cc2)c[nH+]1 ZINC001175707105 1132754848 /nfs/dbraw/zinc/75/48/48/1132754848.db2.gz VFBWSNKHJUHLCF-UHFFFAOYSA-N 1 2 337.280 3.751 20 0 EHADLO CCCCc1ccc(CC(=O)NCCCN(C)c2cccc[nH+]2)cc1 ZINC001175708577 1132754872 /nfs/dbraw/zinc/75/48/72/1132754872.db2.gz RETGRLCHQBGPKQ-UHFFFAOYSA-N 1 2 339.483 3.609 20 0 EHADLO Cc1ccc(-n2nccc2Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175710906 1132756020 /nfs/dbraw/zinc/75/60/20/1132756020.db2.gz NYVRFFMVKUYFIT-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744021 1132837239 /nfs/dbraw/zinc/83/72/39/1132837239.db2.gz GTZBEXGDXBGVOT-PZJWPPBQSA-N 1 2 338.426 3.753 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744021 1132837245 /nfs/dbraw/zinc/83/72/45/1132837245.db2.gz GTZBEXGDXBGVOT-PZJWPPBQSA-N 1 2 338.426 3.753 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC001176120546 1132852362 /nfs/dbraw/zinc/85/23/62/1132852362.db2.gz DGSFJWTVWCBWRO-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO COC(=O)c1sc2nc(C)ccc2c1Nc1c[nH+]ccc1OC ZINC001176118460 1132852388 /nfs/dbraw/zinc/85/23/88/1132852388.db2.gz HSIOOPOOXISMRS-UHFFFAOYSA-N 1 2 329.381 3.539 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001176121728 1132852865 /nfs/dbraw/zinc/85/28/65/1132852865.db2.gz MSTXFLHFIKURQK-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C)ccc1Cl ZINC001176156491 1132867605 /nfs/dbraw/zinc/86/76/05/1132867605.db2.gz WXYFOCYACONAJI-UHFFFAOYSA-N 1 2 328.803 3.672 20 0 EHADLO Cc1cc(C)c2[nH+]c(N[C@@H]3c4ccccc4CNC3=O)cc(C)c2c1 ZINC001169883350 1132878939 /nfs/dbraw/zinc/87/89/39/1132878939.db2.gz VMZSNKBXAQJGKB-HXUWFJFHSA-N 1 2 331.419 3.943 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001169890639 1132882233 /nfs/dbraw/zinc/88/22/33/1132882233.db2.gz PVPCXXNGSUKNLA-CIISACIHSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001169890639 1132882242 /nfs/dbraw/zinc/88/22/42/1132882242.db2.gz PVPCXXNGSUKNLA-CIISACIHSA-N 1 2 330.255 3.526 20 0 EHADLO CC(C)CNC(=O)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000804340831 1132882970 /nfs/dbraw/zinc/88/29/70/1132882970.db2.gz LDKWZKTUGRBIBN-UHFFFAOYSA-N 1 2 345.874 3.877 20 0 EHADLO Cc1cc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc(C)c1Cl ZINC001176337854 1132902500 /nfs/dbraw/zinc/90/25/00/1132902500.db2.gz MWWVENDJVGSYIX-UHFFFAOYSA-N 1 2 332.835 3.635 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)c1nc2cc(Cl)ccc2s1 ZINC000766961956 1132918987 /nfs/dbraw/zinc/91/89/87/1132918987.db2.gz LHZWYZKFWGNIKF-UHFFFAOYSA-N 1 2 342.811 3.874 20 0 EHADLO c1ccc(Oc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cn2)cc1 ZINC001176373991 1132925624 /nfs/dbraw/zinc/92/56/24/1132925624.db2.gz KTTULINUHPVCSS-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO Cc1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c(F)cc1Cl ZINC001176523428 1132956976 /nfs/dbraw/zinc/95/69/76/1132956976.db2.gz QUBTVVFZZMPPFK-UHFFFAOYSA-N 1 2 335.810 3.887 20 0 EHADLO COc1cc(Nc2cc(C(=O)N3CCCCC3)ccc2F)[nH+]cc1C ZINC001176682221 1132982340 /nfs/dbraw/zinc/98/23/40/1132982340.db2.gz MWBVUWVYVSCWHU-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cccc(Cl)c3C)CC2)cn1 ZINC001176841803 1133003672 /nfs/dbraw/zinc/00/36/72/1133003672.db2.gz HRPQGTBZCSILLD-OAHLLOKOSA-N 1 2 330.863 3.630 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC001176873194 1133007016 /nfs/dbraw/zinc/00/70/16/1133007016.db2.gz AAELHWZDLPBZDY-UHFFFAOYSA-N 1 2 344.418 3.915 20 0 EHADLO CN(C)c1cc(COC(=O)CCCCCc2ccc(O)cc2)cc[nH+]1 ZINC000767533467 1133015412 /nfs/dbraw/zinc/01/54/12/1133015412.db2.gz GXIAUFRNODHXKA-UHFFFAOYSA-N 1 2 342.439 3.700 20 0 EHADLO O=C(NCc1cccc(C(F)F)c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971415 1133017544 /nfs/dbraw/zinc/01/75/44/1133017544.db2.gz VBXILJWFFLFNNL-INIZCTEOSA-N 1 2 345.393 3.552 20 0 EHADLO O=C(Nc1ccccc1-c1cnco1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966622 1133017778 /nfs/dbraw/zinc/01/77/78/1133017778.db2.gz ALPGFEGGESBKOO-HNNXBMFYSA-N 1 2 348.406 3.592 20 0 EHADLO COC(=O)[C@]1([NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H](C)c2ccccc21 ZINC001176944878 1133018760 /nfs/dbraw/zinc/01/87/60/1133018760.db2.gz CGHRDLKUWIPSDL-ZEWNPSJMSA-N 1 2 349.421 3.833 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC001177175688 1133040723 /nfs/dbraw/zinc/04/07/23/1133040723.db2.gz OOJJHMQPASGKHJ-CQSZACIVSA-N 1 2 332.407 3.742 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+]Cc2cn3ccccc3n2)c1 ZINC001177272458 1133051033 /nfs/dbraw/zinc/05/10/33/1133051033.db2.gz CEMISYOXLCOVOK-UHFFFAOYSA-N 1 2 348.381 3.951 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000767800289 1133055588 /nfs/dbraw/zinc/05/55/88/1133055588.db2.gz QPJVTTYIHRNSSZ-SJORKVTESA-N 1 2 332.492 3.668 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767795746 1133056068 /nfs/dbraw/zinc/05/60/68/1133056068.db2.gz KYYKIAYIKFRZRW-IXDOHACOSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1cccc2c1CC[N@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)C2 ZINC000767891698 1133064794 /nfs/dbraw/zinc/06/47/94/1133064794.db2.gz HRFLVORVFSDHLS-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1cccc2c1CC[N@@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)C2 ZINC000767891698 1133064799 /nfs/dbraw/zinc/06/47/99/1133064799.db2.gz HRFLVORVFSDHLS-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616544 1133087654 /nfs/dbraw/zinc/08/76/54/1133087654.db2.gz RSHRHDDCUDHHGN-IBGZPJMESA-N 1 2 347.418 3.945 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616544 1133087660 /nfs/dbraw/zinc/08/76/60/1133087660.db2.gz RSHRHDDCUDHHGN-IBGZPJMESA-N 1 2 347.418 3.945 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cscn1 ZINC000768107488 1133095380 /nfs/dbraw/zinc/09/53/80/1133095380.db2.gz ZGEGSFDYQCOXNH-CHWSQXEVSA-N 1 2 349.475 3.655 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc2ccccc21 ZINC001177835120 1133107303 /nfs/dbraw/zinc/10/73/03/1133107303.db2.gz IUGRCFKZXFTVPN-UHFFFAOYSA-N 1 2 344.418 3.923 20 0 EHADLO OC[C@H]1CCC[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000768240659 1133112683 /nfs/dbraw/zinc/11/26/83/1133112683.db2.gz XUJJBIGRTBXMSS-LLVKDONJSA-N 1 2 340.901 3.904 20 0 EHADLO OC[C@H]1CCC[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000768240659 1133112689 /nfs/dbraw/zinc/11/26/89/1133112689.db2.gz XUJJBIGRTBXMSS-LLVKDONJSA-N 1 2 340.901 3.904 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1)n1cc[nH+]c1 ZINC001177925531 1133113954 /nfs/dbraw/zinc/11/39/54/1133113954.db2.gz LKEVIEBDMMDEIU-NVXWUHKLSA-N 1 2 341.455 3.638 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000768236735 1133116212 /nfs/dbraw/zinc/11/62/12/1133116212.db2.gz JDLUYTCRUPYWQF-UHFFFAOYSA-N 1 2 327.815 3.924 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000768236735 1133116215 /nfs/dbraw/zinc/11/62/15/1133116215.db2.gz JDLUYTCRUPYWQF-UHFFFAOYSA-N 1 2 327.815 3.924 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cn3cc(Cl)ccc3n1)CO2 ZINC001178147518 1133136507 /nfs/dbraw/zinc/13/65/07/1133136507.db2.gz DZIOMRHEUFMAQR-CQSZACIVSA-N 1 2 334.206 3.864 20 0 EHADLO Cc1cc([NH2+]C[C@H]2CCOc3ccccc32)ccc1N1CCOCC1 ZINC001178299380 1133154731 /nfs/dbraw/zinc/15/47/31/1133154731.db2.gz DASYTLSVNIFKPE-QGZVFWFLSA-N 1 2 338.451 3.810 20 0 EHADLO CC(C)(C)c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC001178383229 1133161330 /nfs/dbraw/zinc/16/13/30/1133161330.db2.gz YFEYEEQZCJHFJZ-UHFFFAOYSA-N 1 2 339.483 3.823 20 0 EHADLO CCc1[nH]c(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC001178669345 1133188883 /nfs/dbraw/zinc/18/88/83/1133188883.db2.gz GNFDHJDGPXJWHX-LLVKDONJSA-N 1 2 339.361 3.801 20 0 EHADLO CCc1[nH]cc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC001178669345 1133188884 /nfs/dbraw/zinc/18/88/84/1133188884.db2.gz GNFDHJDGPXJWHX-LLVKDONJSA-N 1 2 339.361 3.801 20 0 EHADLO CO[C@](C)(C(=O)Nc1cc[nH+]c2c1CCC2)c1cccc2ccccc21 ZINC001178674353 1133189825 /nfs/dbraw/zinc/18/98/25/1133189825.db2.gz MWSMKFXBUJBJBV-QFIPXVFZSA-N 1 2 346.430 3.646 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000773767080 1133193951 /nfs/dbraw/zinc/19/39/51/1133193951.db2.gz VMNVBVBODKYKDE-AZUAARDMSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000773767080 1133193953 /nfs/dbraw/zinc/19/39/53/1133193953.db2.gz VMNVBVBODKYKDE-AZUAARDMSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000768887124 1133196283 /nfs/dbraw/zinc/19/62/83/1133196283.db2.gz ARWPYTVZFIYIGX-UHFFFAOYSA-N 1 2 340.254 3.710 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000768887124 1133196284 /nfs/dbraw/zinc/19/62/84/1133196284.db2.gz ARWPYTVZFIYIGX-UHFFFAOYSA-N 1 2 340.254 3.710 20 0 EHADLO Fc1ccc(C=C2CC[NH+](CN3CCSC3=S)CC2)cc1F ZINC000768908698 1133201352 /nfs/dbraw/zinc/20/13/52/1133201352.db2.gz WZILLILODICENJ-UHFFFAOYSA-N 1 2 340.464 3.735 20 0 EHADLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000768927262 1133205178 /nfs/dbraw/zinc/20/51/78/1133205178.db2.gz SAVQMLLIYWATHK-UHFFFAOYSA-N 1 2 340.320 3.575 20 0 EHADLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000768927262 1133205183 /nfs/dbraw/zinc/20/51/83/1133205183.db2.gz SAVQMLLIYWATHK-UHFFFAOYSA-N 1 2 340.320 3.575 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@H](C)c2ccncc2)n1 ZINC000768971504 1133208129 /nfs/dbraw/zinc/20/81/29/1133208129.db2.gz HSTACJHVIQYQAU-ZDUSSCGKSA-N 1 2 332.473 3.512 20 0 EHADLO Clc1cc(Cl)cc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC001179139868 1133230531 /nfs/dbraw/zinc/23/05/31/1133230531.db2.gz KDYWXSJJPYDJQU-UHFFFAOYSA-N 1 2 335.032 3.769 20 0 EHADLO CCCN1CC[C@H]([NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001179238495 1133238146 /nfs/dbraw/zinc/23/81/46/1133238146.db2.gz PKOJEJAPFLGHJW-ZDUSSCGKSA-N 1 2 330.303 3.633 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000769208612 1133245299 /nfs/dbraw/zinc/24/52/99/1133245299.db2.gz MJXMQGZCLWPSMH-UHFFFAOYSA-N 1 2 341.286 3.982 20 0 EHADLO COc1cccc2[nH]c(NCc3ccc4c(c3)OCCCCO4)[nH+]c21 ZINC001179497679 1133256576 /nfs/dbraw/zinc/25/65/76/1133256576.db2.gz LBMQZYPNEUIUMI-UHFFFAOYSA-N 1 2 339.395 3.735 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000769390110 1133274904 /nfs/dbraw/zinc/27/49/04/1133274904.db2.gz UPGLNEXFTYGUCG-MDZRGWNJSA-N 1 2 327.472 3.989 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000769390110 1133274907 /nfs/dbraw/zinc/27/49/07/1133274907.db2.gz UPGLNEXFTYGUCG-MDZRGWNJSA-N 1 2 327.472 3.989 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000769388464 1133274990 /nfs/dbraw/zinc/27/49/90/1133274990.db2.gz AGVMJEJANPJAIK-GUXCAODWSA-N 1 2 339.435 3.824 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000769388464 1133274994 /nfs/dbraw/zinc/27/49/94/1133274994.db2.gz AGVMJEJANPJAIK-GUXCAODWSA-N 1 2 339.435 3.824 20 0 EHADLO CCOc1cccc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)n1 ZINC000769390156 1133275041 /nfs/dbraw/zinc/27/50/41/1133275041.db2.gz VFNDUKNAAGQMCM-QINHECLXSA-N 1 2 326.440 3.831 20 0 EHADLO CCOc1cccc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)n1 ZINC000769390156 1133275050 /nfs/dbraw/zinc/27/50/50/1133275050.db2.gz VFNDUKNAAGQMCM-QINHECLXSA-N 1 2 326.440 3.831 20 0 EHADLO OC1(C(F)(F)C[NH2+]Cc2cc3ccncc3s2)CCCCC1 ZINC001179771579 1133277158 /nfs/dbraw/zinc/27/71/58/1133277158.db2.gz HLAQISOCRFWRIQ-UHFFFAOYSA-N 1 2 326.412 3.716 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000744435520 1133281087 /nfs/dbraw/zinc/28/10/87/1133281087.db2.gz WVJRLQBBDPGGCG-AEFFLSMTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000744435520 1133281093 /nfs/dbraw/zinc/28/10/93/1133281093.db2.gz WVJRLQBBDPGGCG-AEFFLSMTSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)Cc1ncc(C[NH2+]Cc2ncccc2Br)s1 ZINC001179793744 1133283584 /nfs/dbraw/zinc/28/35/84/1133283584.db2.gz OXERCTLPPBIMIM-UHFFFAOYSA-N 1 2 340.290 3.789 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](CC)CCS(C)(=O)=O ZINC000769527247 1133309606 /nfs/dbraw/zinc/30/96/06/1133309606.db2.gz CNBDMFLFSLRRNP-UHFFFAOYSA-N 1 2 337.485 3.642 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](CC)CCS(C)(=O)=O ZINC000769527247 1133309608 /nfs/dbraw/zinc/30/96/08/1133309608.db2.gz CNBDMFLFSLRRNP-UHFFFAOYSA-N 1 2 337.485 3.642 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000769565768 1133315926 /nfs/dbraw/zinc/31/59/26/1133315926.db2.gz QCITZVULZOVKSF-QGZVFWFLSA-N 1 2 337.778 3.687 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000769565768 1133315930 /nfs/dbraw/zinc/31/59/30/1133315930.db2.gz QCITZVULZOVKSF-QGZVFWFLSA-N 1 2 337.778 3.687 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001180064612 1133324614 /nfs/dbraw/zinc/32/46/14/1133324614.db2.gz PGCDLJRJKKIKSH-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001180064612 1133324619 /nfs/dbraw/zinc/32/46/19/1133324619.db2.gz PGCDLJRJKKIKSH-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO Cc1ccc(C2=CC[N@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000769696061 1133330666 /nfs/dbraw/zinc/33/06/66/1133330666.db2.gz IESNXRJABJUXEU-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000769696061 1133330669 /nfs/dbraw/zinc/33/06/69/1133330669.db2.gz IESNXRJABJUXEU-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc2ccccc2n1C ZINC001180103692 1133332133 /nfs/dbraw/zinc/33/21/33/1133332133.db2.gz VPUMGIVECXHZTN-UHFFFAOYSA-N 1 2 335.451 3.811 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2n1C ZINC001180103692 1133332138 /nfs/dbraw/zinc/33/21/38/1133332138.db2.gz VPUMGIVECXHZTN-UHFFFAOYSA-N 1 2 335.451 3.811 20 0 EHADLO CCn1cnc(Cl)c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001180111828 1133333776 /nfs/dbraw/zinc/33/37/76/1133333776.db2.gz DQFUWUCRAYYDDP-ZDUSSCGKSA-N 1 2 341.883 3.500 20 0 EHADLO CCn1cnc(Cl)c1C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001180111828 1133333780 /nfs/dbraw/zinc/33/37/80/1133333780.db2.gz DQFUWUCRAYYDDP-ZDUSSCGKSA-N 1 2 341.883 3.500 20 0 EHADLO CN(C)c1c(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc(F)c1F ZINC001180228890 1133346949 /nfs/dbraw/zinc/34/69/49/1133346949.db2.gz DSURQQGYDKEFFF-HXUWFJFHSA-N 1 2 346.421 3.778 20 0 EHADLO CN(C)c1c(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc(F)c1F ZINC001180228890 1133346954 /nfs/dbraw/zinc/34/69/54/1133346954.db2.gz DSURQQGYDKEFFF-HXUWFJFHSA-N 1 2 346.421 3.778 20 0 EHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001180301380 1133354000 /nfs/dbraw/zinc/35/40/00/1133354000.db2.gz MQLVJKFOLHHELR-UKRRQHHQSA-N 1 2 349.381 3.651 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2cccc(F)c2N)cn1 ZINC001180284980 1133357701 /nfs/dbraw/zinc/35/77/01/1133357701.db2.gz RCPSMZFOEVYGDF-IBGZPJMESA-N 1 2 342.393 3.502 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2cccc(F)c2N)cn1 ZINC001180284980 1133357709 /nfs/dbraw/zinc/35/77/09/1133357709.db2.gz RCPSMZFOEVYGDF-IBGZPJMESA-N 1 2 342.393 3.502 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(F)(F)C(F)F)C1CCCC1 ZINC000769919602 1133359562 /nfs/dbraw/zinc/35/95/62/1133359562.db2.gz AMHPQIQHNDEIBZ-NSHDSACASA-N 1 2 342.377 3.560 20 0 EHADLO COc1cccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2C)c1F ZINC000769980047 1133372063 /nfs/dbraw/zinc/37/20/63/1133372063.db2.gz JUMAIZALHXIRLK-GOSISDBHSA-N 1 2 344.430 3.628 20 0 EHADLO Cc1ccc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001180460896 1133378160 /nfs/dbraw/zinc/37/81/60/1133378160.db2.gz VXFZBKMOAJUGSO-UHFFFAOYSA-N 1 2 333.435 3.690 20 0 EHADLO CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc2[nH+]ccn21 ZINC000770395649 1133422219 /nfs/dbraw/zinc/42/22/19/1133422219.db2.gz BRMQRMRKOXUFCO-UHFFFAOYSA-N 1 2 333.313 3.625 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000770525292 1133442140 /nfs/dbraw/zinc/44/21/40/1133442140.db2.gz WMTFDJBDDQIFHV-WTLGNFPFSA-N 1 2 332.488 3.916 20 0 EHADLO CC[N@H+](Cc1n[nH]cc1Br)[C@H](C)Cc1ccsc1 ZINC001181111465 1133452758 /nfs/dbraw/zinc/45/27/58/1133452758.db2.gz GGUKURLHHGIPKU-SNVBAGLBSA-N 1 2 328.279 3.687 20 0 EHADLO CC[N@@H+](Cc1n[nH]cc1Br)[C@H](C)Cc1ccsc1 ZINC001181111465 1133452759 /nfs/dbraw/zinc/45/27/59/1133452759.db2.gz GGUKURLHHGIPKU-SNVBAGLBSA-N 1 2 328.279 3.687 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CCO1 ZINC000770708372 1133463739 /nfs/dbraw/zinc/46/37/39/1133463739.db2.gz YMUAONNNDAMYIR-CQSZACIVSA-N 1 2 349.418 3.924 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CCO1 ZINC000770708372 1133463745 /nfs/dbraw/zinc/46/37/45/1133463745.db2.gz YMUAONNNDAMYIR-CQSZACIVSA-N 1 2 349.418 3.924 20 0 EHADLO CC(=O)C[C@H](C)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001181253601 1133470158 /nfs/dbraw/zinc/47/01/58/1133470158.db2.gz CBGAZZGZPUPMPA-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO CC(=O)C[C@H](C)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001181253601 1133470161 /nfs/dbraw/zinc/47/01/61/1133470161.db2.gz CBGAZZGZPUPMPA-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO Cc1c[nH]c(CCNC(=O)CC2c3ccccc3-c3ccccc32)[nH+]1 ZINC001181308333 1133477985 /nfs/dbraw/zinc/47/79/85/1133477985.db2.gz KPHJCHWSVHSPCD-UHFFFAOYSA-N 1 2 331.419 3.579 20 0 EHADLO Cc1oc(-c2cccs2)nc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921797 1133484747 /nfs/dbraw/zinc/48/47/47/1133484747.db2.gz VCFKVJAKEZOUMB-UHFFFAOYSA-N 1 2 339.376 3.716 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000771295015 1133536053 /nfs/dbraw/zinc/53/60/53/1133536053.db2.gz IZVJZWBNVYSLQG-SFHVURJKSA-N 1 2 327.472 3.664 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(Br)cs2)c2ccccc2O1 ZINC001181901390 1133548534 /nfs/dbraw/zinc/54/85/34/1133548534.db2.gz SMNLPLVZEMNUFC-MWLCHTKSSA-N 1 2 339.258 3.908 20 0 EHADLO Clc1ncccc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465886 1133566331 /nfs/dbraw/zinc/56/63/31/1133566331.db2.gz XMOJZEXDWIDGLF-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO Clc1ncccc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465886 1133566339 /nfs/dbraw/zinc/56/63/39/1133566339.db2.gz XMOJZEXDWIDGLF-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1nn(-c2ccccc2)c2c1CCC2 ZINC000771651484 1133580144 /nfs/dbraw/zinc/58/01/44/1133580144.db2.gz KWAXJXKYFGSBIS-UHFFFAOYSA-N 1 2 346.434 3.602 20 0 EHADLO CC1CC(C(=O)NCCNc2cccc[nH+]2)(c2cccc(Cl)c2)C1 ZINC001182229763 1133593498 /nfs/dbraw/zinc/59/34/98/1133593498.db2.gz ZPOSDOKEKOMWBW-UHFFFAOYSA-N 1 2 343.858 3.631 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)C[C@H]1CF)c1ccccc1Cl ZINC001182225146 1133599540 /nfs/dbraw/zinc/59/95/40/1133599540.db2.gz OIJOSTXHQYPLSF-ZQIUZPCESA-N 1 2 340.870 3.929 20 0 EHADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000771898720 1133613305 /nfs/dbraw/zinc/61/33/05/1133613305.db2.gz OADDUPPQWUWSTO-INIZCTEOSA-N 1 2 337.423 3.768 20 0 EHADLO Cc1cc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1O ZINC001182325862 1133632888 /nfs/dbraw/zinc/63/28/88/1133632888.db2.gz KXRSQAXIMKRJEE-UHFFFAOYSA-N 1 2 335.407 3.766 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001182360805 1133645389 /nfs/dbraw/zinc/64/53/89/1133645389.db2.gz PXFFTFDIODYHGT-ZIAGYGMSSA-N 1 2 346.352 3.753 20 0 EHADLO CC[C@@H]1C[NH+](Cc2ccnn2CCc2ccccc2)C[C@@H](CC)O1 ZINC001182461677 1133680185 /nfs/dbraw/zinc/68/01/85/1133680185.db2.gz KQCNMFJABKVVGM-WOJBJXKFSA-N 1 2 327.472 3.515 20 0 EHADLO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464477 1133682050 /nfs/dbraw/zinc/68/20/50/1133682050.db2.gz LDQLOCGGTYAXTR-GHMZBOCLSA-N 1 2 345.270 3.549 20 0 EHADLO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464477 1133682052 /nfs/dbraw/zinc/68/20/52/1133682052.db2.gz LDQLOCGGTYAXTR-GHMZBOCLSA-N 1 2 345.270 3.549 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001182489347 1133694802 /nfs/dbraw/zinc/69/48/02/1133694802.db2.gz KDNSSSOYQPUMGQ-SUMWQHHRSA-N 1 2 345.443 3.612 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001182489347 1133694805 /nfs/dbraw/zinc/69/48/05/1133694805.db2.gz KDNSSSOYQPUMGQ-SUMWQHHRSA-N 1 2 345.443 3.612 20 0 EHADLO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206526976 1133702172 /nfs/dbraw/zinc/70/21/72/1133702172.db2.gz ROUPERUFOXEHLJ-MRXNPFEDSA-N 1 2 347.256 3.806 20 0 EHADLO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206526976 1133702177 /nfs/dbraw/zinc/70/21/77/1133702177.db2.gz ROUPERUFOXEHLJ-MRXNPFEDSA-N 1 2 347.256 3.806 20 0 EHADLO CC(C)C(C[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C)C(C)C ZINC001182595215 1133706520 /nfs/dbraw/zinc/70/65/20/1133706520.db2.gz QKLAQDIUGFHSAB-SFHVURJKSA-N 1 2 334.504 3.852 20 0 EHADLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206547840 1133744437 /nfs/dbraw/zinc/74/44/37/1133744437.db2.gz OGAMBYFZVVEBET-CQSZACIVSA-N 1 2 345.240 3.549 20 0 EHADLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206547840 1133744441 /nfs/dbraw/zinc/74/44/41/1133744441.db2.gz OGAMBYFZVVEBET-CQSZACIVSA-N 1 2 345.240 3.549 20 0 EHADLO COc1cccc(Nc2ccc(NCc3snnc3C)[nH+]c2)c1 ZINC001182910792 1133748888 /nfs/dbraw/zinc/74/88/88/1133748888.db2.gz QBVRWRAPMUCTBG-UHFFFAOYSA-N 1 2 327.413 3.606 20 0 EHADLO COc1ccc([C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)C)cc1 ZINC001182989363 1133754423 /nfs/dbraw/zinc/75/44/23/1133754423.db2.gz NOZVVXKXWXGMLR-FUHWJXTLSA-N 1 2 341.455 3.564 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183032080 1133759262 /nfs/dbraw/zinc/75/92/62/1133759262.db2.gz ZEONVHQCDQKKSC-XOBRGWDASA-N 1 2 349.409 3.919 20 0 EHADLO CC(C)(C(=O)Nc1cc[nH+]c2c1CCC2)c1ccc(C(=O)C2CC2)cc1 ZINC001183028850 1133759532 /nfs/dbraw/zinc/75/95/32/1133759532.db2.gz ULBQMMGCWWNLRW-UHFFFAOYSA-N 1 2 348.446 3.501 20 0 EHADLO Cc1cccc(CC2C[NH+](Cc3cn(-c4ccccc4C)nn3)C2)c1 ZINC001183023633 1133761374 /nfs/dbraw/zinc/76/13/74/1133761374.db2.gz ISMJUGSZFLEEOZ-UHFFFAOYSA-N 1 2 332.451 3.559 20 0 EHADLO CCC[N@H+](CN1C(=O)SC(C)(C)C1=O)[C@@H]1CCCc2cccnc21 ZINC000774597852 1133777312 /nfs/dbraw/zinc/77/73/12/1133777312.db2.gz CWDJRXJLDGGYTQ-CQSZACIVSA-N 1 2 347.484 3.603 20 0 EHADLO CCC[N@@H+](CN1C(=O)SC(C)(C)C1=O)[C@@H]1CCCc2cccnc21 ZINC000774597852 1133777317 /nfs/dbraw/zinc/77/73/17/1133777317.db2.gz CWDJRXJLDGGYTQ-CQSZACIVSA-N 1 2 347.484 3.603 20 0 EHADLO CCOCOc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001183527867 1133815591 /nfs/dbraw/zinc/81/55/91/1133815591.db2.gz XCCOBOYNCOUMGV-UHFFFAOYSA-N 1 2 333.378 3.896 20 0 EHADLO CCOCOc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001183527867 1133815598 /nfs/dbraw/zinc/81/55/98/1133815598.db2.gz XCCOBOYNCOUMGV-UHFFFAOYSA-N 1 2 333.378 3.896 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCOCC[C@@H]3C)c2=S)c1 ZINC000774660622 1133840207 /nfs/dbraw/zinc/84/02/07/1133840207.db2.gz VXWGZNZNEHEWRL-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCOCC[C@@H]3C)c2=S)c1 ZINC000774660622 1133840213 /nfs/dbraw/zinc/84/02/13/1133840213.db2.gz VXWGZNZNEHEWRL-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)C3(C4CC4)CC3)CC2)cc1 ZINC001183799969 1133860471 /nfs/dbraw/zinc/86/04/71/1133860471.db2.gz ITIWNVSLRMFYOE-UHFFFAOYSA-N 1 2 340.511 3.819 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1ccc(Cl)nc1C(F)(F)F ZINC000786741497 1133893960 /nfs/dbraw/zinc/89/39/60/1133893960.db2.gz CLKHPQFKXHTUIM-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO O=C(Nc1ccc(-c2ccccc2)cc1F)[C@H]1CCc2[nH+]ccn2C1 ZINC000786757272 1133897535 /nfs/dbraw/zinc/89/75/35/1133897535.db2.gz NFNDANFWXAZUID-INIZCTEOSA-N 1 2 335.382 3.890 20 0 EHADLO O=C(Nc1cccc(COc2ccccc2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786807311 1133909159 /nfs/dbraw/zinc/90/91/59/1133909159.db2.gz OABFPEAQEYBPKF-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CO[C@H](c1ccccc1)[C@@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000786871915 1133914537 /nfs/dbraw/zinc/91/45/37/1133914537.db2.gz KPJCEVYJDVKPEK-IERDGZPVSA-N 1 2 340.467 3.836 20 0 EHADLO COC[C@@H](C)CNc1[nH+]c2ccccc2n1Cc1cccc(OC)c1 ZINC001184462794 1133944163 /nfs/dbraw/zinc/94/41/63/1133944163.db2.gz QBVXHGUGZQNECX-HNNXBMFYSA-N 1 2 339.439 3.788 20 0 EHADLO COc1ccc(CN(C)c2nc3ccccc3n3c[nH+]cc23)c(OC)c1 ZINC001184548141 1133951741 /nfs/dbraw/zinc/95/17/41/1133951741.db2.gz PHEMJAKGIQEYJG-UHFFFAOYSA-N 1 2 348.406 3.536 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001184707008 1133978386 /nfs/dbraw/zinc/97/83/86/1133978386.db2.gz VRDUXNOGGHZOLF-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1ccccc1OC ZINC000787278328 1133983668 /nfs/dbraw/zinc/98/36/68/1133983668.db2.gz DGMSPCAVOWCMTQ-YOEHRIQHSA-N 1 2 343.475 3.989 20 0 EHADLO CCc1cc(NCCCN(C(=O)OC(C)(C)C)C2CC2)nc(CC)[nH+]1 ZINC001184855412 1133999286 /nfs/dbraw/zinc/99/92/86/1133999286.db2.gz CTJQQZJLHHDSNY-UHFFFAOYSA-N 1 2 348.491 3.803 20 0 EHADLO Cc1nc(NCCO[C@H]2CCCC[C@@H]2C)c(Br)c(C)[nH+]1 ZINC001184874151 1134000909 /nfs/dbraw/zinc/00/09/09/1134000909.db2.gz LAHIVIARRGARKY-GWCFXTLKSA-N 1 2 342.281 3.863 20 0 EHADLO COC(=O)c1cc(C)c(Nc2ccc[nH+]c2N2CCCC2)cc1C ZINC001184964168 1134008425 /nfs/dbraw/zinc/00/84/25/1134008425.db2.gz HTWJSKRFJGQSTE-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO CCOC(=O)c1ccc(F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184969035 1134009276 /nfs/dbraw/zinc/00/92/76/1134009276.db2.gz VQRRKXAYGYHKMU-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO Nc1c(F)c(F)c(Nc2ccc[nH+]c2N2CCCC2)c(F)c1F ZINC001184969229 1134009597 /nfs/dbraw/zinc/00/95/97/1134009597.db2.gz XXIHBCQEDKFKMZ-UHFFFAOYSA-N 1 2 326.297 3.564 20 0 EHADLO Cc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001185024578 1134016079 /nfs/dbraw/zinc/01/60/79/1134016079.db2.gz FUGNRUQFRPWQPR-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787578518 1134018833 /nfs/dbraw/zinc/01/88/33/1134018833.db2.gz KMGNEKBMHXGHMW-UHFFFAOYSA-N 1 2 346.386 3.560 20 0 EHADLO COC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC001185042835 1134023422 /nfs/dbraw/zinc/02/34/22/1134023422.db2.gz KIWDCYDKTJNZEB-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO CCOC(=O)Cc1ccc(F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185042701 1134024016 /nfs/dbraw/zinc/02/40/16/1134024016.db2.gz GPGGJLCZIGLMHE-UHFFFAOYSA-N 1 2 343.402 3.670 20 0 EHADLO Cc1cc(NCCCCNc2cccc[nH+]2)nc(-c2cccs2)n1 ZINC001185171177 1134042429 /nfs/dbraw/zinc/04/24/29/1134042429.db2.gz TUCQWKKRESWFRC-UHFFFAOYSA-N 1 2 339.468 3.635 20 0 EHADLO O=C(OCc1ccc(Cl)nc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788065892 1134076567 /nfs/dbraw/zinc/07/65/67/1134076567.db2.gz USJQMYHVGYDHTH-UHFFFAOYSA-N 1 2 348.189 3.931 20 0 EHADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268651 1134106961 /nfs/dbraw/zinc/10/69/61/1134106961.db2.gz IDYNVILQZNFXTK-QWRGUYRKSA-N 1 2 340.901 3.903 20 0 EHADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268651 1134106964 /nfs/dbraw/zinc/10/69/64/1134106964.db2.gz IDYNVILQZNFXTK-QWRGUYRKSA-N 1 2 340.901 3.903 20 0 EHADLO COc1ccc(O[C@@H](C)CNc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC001185564949 1134107009 /nfs/dbraw/zinc/10/70/09/1134107009.db2.gz FEPZEUSXZKAWQX-AWEZNQCLSA-N 1 2 327.428 3.941 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000788978927 1134205480 /nfs/dbraw/zinc/20/54/80/1134205480.db2.gz BUJXSINCHFNULR-GJZGRUSLSA-N 1 2 340.414 3.814 20 0 EHADLO C[C@@H](CCOC(=O)[C@H](c1ccccc1)[NH+](C)C)OCc1ccccc1 ZINC000789082521 1134219888 /nfs/dbraw/zinc/21/98/88/1134219888.db2.gz IHEUODNDMMFXIH-PXNSSMCTSA-N 1 2 341.451 3.828 20 0 EHADLO Clc1cccc(CC[N@@H+]2CCCC[C@@H]2C2OCCO2)c1Cl ZINC000789299124 1134250776 /nfs/dbraw/zinc/25/07/76/1134250776.db2.gz MQXVGSJBWYOHBC-CQSZACIVSA-N 1 2 330.255 3.763 20 0 EHADLO Clc1cccc(CC[N@H+]2CCCC[C@@H]2C2OCCO2)c1Cl ZINC000789299124 1134250780 /nfs/dbraw/zinc/25/07/80/1134250780.db2.gz MQXVGSJBWYOHBC-CQSZACIVSA-N 1 2 330.255 3.763 20 0 EHADLO CCc1csc(CC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)n1 ZINC001186872990 1134264709 /nfs/dbraw/zinc/26/47/09/1134264709.db2.gz QYDWSCSLRWZXLF-UHFFFAOYSA-N 1 2 330.501 3.880 20 0 EHADLO C[C@@H](O[NH+]=C(N)Cc1cccc(F)c1)c1noc(-c2ccccc2)n1 ZINC000789608879 1134305928 /nfs/dbraw/zinc/30/59/28/1134305928.db2.gz FSBLXUDFSPUYPF-GFCCVEGCSA-N 1 2 340.358 3.678 20 0 EHADLO CCCOc1cc(OC)ccc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000789662131 1134314239 /nfs/dbraw/zinc/31/42/39/1134314239.db2.gz HKWANGLUHOMBJY-UHFFFAOYSA-N 1 2 343.427 3.506 20 0 EHADLO Cc1csc(NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@@H+]2C)c1 ZINC001187624061 1134357612 /nfs/dbraw/zinc/35/76/12/1134357612.db2.gz OXXOMRQHNZSTGM-DKSSEZFCSA-N 1 2 342.464 3.839 20 0 EHADLO Cc1csc(NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@H+]2C)c1 ZINC001187624061 1134357619 /nfs/dbraw/zinc/35/76/19/1134357619.db2.gz OXXOMRQHNZSTGM-DKSSEZFCSA-N 1 2 342.464 3.839 20 0 EHADLO CCc1ccccc1NC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001187622256 1134357788 /nfs/dbraw/zinc/35/77/88/1134357788.db2.gz SSBYCRRKAKWZHF-UHFFFAOYSA-N 1 2 338.455 3.723 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001187773192 1134376241 /nfs/dbraw/zinc/37/62/41/1134376241.db2.gz HGOGYXDBIGMDLB-INIZCTEOSA-N 1 2 347.875 3.680 20 0 EHADLO Cc1ccc(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC001188001372 1134411263 /nfs/dbraw/zinc/41/12/63/1134411263.db2.gz CCYGUPQJLGGHNN-UHFFFAOYSA-N 1 2 342.418 3.567 20 0 EHADLO CSc1cccc(NC(=O)NCc2c[nH+]c3ccc(C)cn23)c1 ZINC001188054713 1134415170 /nfs/dbraw/zinc/41/51/70/1134415170.db2.gz KIKUWDOFMHKTLC-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO CCC[N@@H+](Cc1ccccc1F)CN1Cc2ccc(OC)cc2C1=O ZINC000790439432 1134418364 /nfs/dbraw/zinc/41/83/64/1134418364.db2.gz NTNSSVRBMYSZJR-UHFFFAOYSA-N 1 2 342.414 3.660 20 0 EHADLO CCC[N@H+](Cc1ccccc1F)CN1Cc2ccc(OC)cc2C1=O ZINC000790439432 1134418366 /nfs/dbraw/zinc/41/83/66/1134418366.db2.gz NTNSSVRBMYSZJR-UHFFFAOYSA-N 1 2 342.414 3.660 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCSCC[C@@H]2C)C1 ZINC000790480447 1134423790 /nfs/dbraw/zinc/42/37/90/1134423790.db2.gz LFKNSORZNBPORV-UONOGXRCSA-N 1 2 340.558 3.600 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCSCC[C@@H]2C)C1 ZINC000790480447 1134423793 /nfs/dbraw/zinc/42/37/93/1134423793.db2.gz LFKNSORZNBPORV-UONOGXRCSA-N 1 2 340.558 3.600 20 0 EHADLO Cc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)n1 ZINC000790517856 1134429934 /nfs/dbraw/zinc/42/99/34/1134429934.db2.gz BMXGVLQDYXMZNR-UHFFFAOYSA-N 1 2 326.831 3.578 20 0 EHADLO Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c[nH]1 ZINC001188201128 1134439757 /nfs/dbraw/zinc/43/97/57/1134439757.db2.gz BYGPFCVIUDDBMR-OAHLLOKOSA-N 1 2 340.254 3.663 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c(F)cccc1F ZINC000791269275 1134524395 /nfs/dbraw/zinc/52/43/95/1134524395.db2.gz ZQDOUTMUTIGGOY-UHFFFAOYSA-N 1 2 328.318 3.816 20 0 EHADLO Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c(Cl)n1 ZINC000791333342 1134532785 /nfs/dbraw/zinc/53/27/85/1134532785.db2.gz QPAXIAUAHFOMDQ-UHFFFAOYSA-N 1 2 341.798 3.895 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1=Cc2ccccc2OC1 ZINC000791309185 1134534639 /nfs/dbraw/zinc/53/46/39/1134534639.db2.gz OKMXFBQFLJVRSP-UHFFFAOYSA-N 1 2 346.386 3.700 20 0 EHADLO Nc1cc(COC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc[nH+]1 ZINC000791712654 1134593811 /nfs/dbraw/zinc/59/38/11/1134593811.db2.gz FYULNYDFWRIDOY-UHFFFAOYSA-N 1 2 336.178 3.809 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000121368242 1134600448 /nfs/dbraw/zinc/60/04/48/1134600448.db2.gz PXSXTLUMAFLWAD-OAHLLOKOSA-N 1 2 333.505 3.655 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000121368242 1134600449 /nfs/dbraw/zinc/60/04/49/1134600449.db2.gz PXSXTLUMAFLWAD-OAHLLOKOSA-N 1 2 333.505 3.655 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000076900044 1134600630 /nfs/dbraw/zinc/60/06/30/1134600630.db2.gz OFXZLQJYEIRLAB-GPMSIDNRSA-N 1 2 335.451 3.663 20 0 EHADLO CCc1cccc(CC)c1NC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001189789720 1134627366 /nfs/dbraw/zinc/62/73/66/1134627366.db2.gz HXVVBRYYWSYGJC-UHFFFAOYSA-N 1 2 326.444 3.740 20 0 EHADLO Nc1cc(COC(=O)c2cc(Oc3ccccc3)ccc2O)cc[nH+]1 ZINC000791929731 1134628030 /nfs/dbraw/zinc/62/80/30/1134628030.db2.gz HMMOUAAASXOJAY-UHFFFAOYSA-N 1 2 336.347 3.519 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3oc(C)nc3c2)n1 ZINC000792079132 1134652765 /nfs/dbraw/zinc/65/27/65/1134652765.db2.gz GDWLFWHCQVPDIT-UHFFFAOYSA-N 1 2 344.440 3.687 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190098021 1134654827 /nfs/dbraw/zinc/65/48/27/1134654827.db2.gz MZARADSNEHEGON-OAHLLOKOSA-N 1 2 335.407 3.714 20 0 EHADLO O=C(NCc1cccc(C(F)F)c1)c1ccccc1-n1cc[nH+]c1 ZINC001190098974 1134655323 /nfs/dbraw/zinc/65/53/23/1134655323.db2.gz CRFYIQSKFBGVDS-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792153031 1134658332 /nfs/dbraw/zinc/65/83/32/1134658332.db2.gz VOPWYGYVTVOFHH-UHFFFAOYSA-N 1 2 339.420 3.761 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792212499 1134672232 /nfs/dbraw/zinc/67/22/32/1134672232.db2.gz OPPFFPVNLJGNFA-LLVKDONJSA-N 1 2 328.239 3.911 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792212499 1134672234 /nfs/dbraw/zinc/67/22/34/1134672234.db2.gz OPPFFPVNLJGNFA-LLVKDONJSA-N 1 2 328.239 3.911 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1C ZINC000792336559 1134683082 /nfs/dbraw/zinc/68/30/82/1134683082.db2.gz FPLOTLLNXOUBLL-LBPRGKRZSA-N 1 2 330.436 3.576 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC001190422041 1134697742 /nfs/dbraw/zinc/69/77/42/1134697742.db2.gz NAMVBAJGEPTZDG-UHFFFAOYSA-N 1 2 336.395 3.577 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccc2c(c1)sc(=O)n2C ZINC000792840528 1134805499 /nfs/dbraw/zinc/80/54/99/1134805499.db2.gz FMXORSODPZWQAC-UHFFFAOYSA-N 1 2 327.453 3.587 20 0 EHADLO C[C@@H]1C[N@H+](CCCSCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001191216014 1134818769 /nfs/dbraw/zinc/81/87/69/1134818769.db2.gz XLJGDRCKXQASGB-UKRRQHHQSA-N 1 2 333.419 3.962 20 0 EHADLO C[C@@H]1C[N@@H+](CCCSCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001191216014 1134818778 /nfs/dbraw/zinc/81/87/78/1134818778.db2.gz XLJGDRCKXQASGB-UKRRQHHQSA-N 1 2 333.419 3.962 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000793251764 1134888608 /nfs/dbraw/zinc/88/86/08/1134888608.db2.gz ICJIKFXPHIUXBS-UHFFFAOYSA-N 1 2 340.345 3.502 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000793251861 1134889042 /nfs/dbraw/zinc/88/90/42/1134889042.db2.gz UVELOMYZHCJQLL-UHFFFAOYSA-N 1 2 342.370 3.538 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000793253137 1134889881 /nfs/dbraw/zinc/88/98/81/1134889881.db2.gz YEKHWUIXSXXIJC-KGLIPLIRSA-N 1 2 339.222 3.616 20 0 EHADLO C[C@H]1C[N@H+](CCc2ccccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001191616501 1134890837 /nfs/dbraw/zinc/89/08/37/1134890837.db2.gz BUWSEATVWJWBNR-AWEZNQCLSA-N 1 2 338.879 3.824 20 0 EHADLO C[C@H]1C[N@@H+](CCc2ccccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001191616501 1134890844 /nfs/dbraw/zinc/89/08/44/1134890844.db2.gz BUWSEATVWJWBNR-AWEZNQCLSA-N 1 2 338.879 3.824 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000793259374 1134891384 /nfs/dbraw/zinc/89/13/84/1134891384.db2.gz SXEYRWKLBKDTBE-UHFFFAOYSA-N 1 2 341.798 3.535 20 0 EHADLO Cc1cc(Br)cn2c(CN3CCC(F)(F)CC3)c[nH+]c12 ZINC000793362804 1134910456 /nfs/dbraw/zinc/91/04/56/1134910456.db2.gz WBHGHBATSFKJDZ-UHFFFAOYSA-N 1 2 344.203 3.636 20 0 EHADLO Cc1ccc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000793390028 1134921856 /nfs/dbraw/zinc/92/18/56/1134921856.db2.gz CYUZQOPPAJPQOF-UHFFFAOYSA-N 1 2 333.391 3.809 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001191911138 1134937984 /nfs/dbraw/zinc/93/79/84/1134937984.db2.gz WXLOXDJQXVWCPN-DRAKQNMHSA-N 1 2 341.373 3.686 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001191911138 1134937989 /nfs/dbraw/zinc/93/79/89/1134937989.db2.gz WXLOXDJQXVWCPN-DRAKQNMHSA-N 1 2 341.373 3.686 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)CCC2 ZINC000793593572 1134965955 /nfs/dbraw/zinc/96/59/55/1134965955.db2.gz XRRYXFGGXMWPCT-INIZCTEOSA-N 1 2 327.476 3.719 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000793627313 1134974585 /nfs/dbraw/zinc/97/45/85/1134974585.db2.gz FUILYNRCWZTHJB-HXUWFJFHSA-N 1 2 349.434 3.647 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000793627313 1134974591 /nfs/dbraw/zinc/97/45/91/1134974591.db2.gz FUILYNRCWZTHJB-HXUWFJFHSA-N 1 2 349.434 3.647 20 0 EHADLO C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078438361 1134974767 /nfs/dbraw/zinc/97/47/67/1134974767.db2.gz PSQUVHFANZXHTR-OAHLLOKOSA-N 1 2 345.402 3.526 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC001192371419 1135008239 /nfs/dbraw/zinc/00/82/39/1135008239.db2.gz YZEUTMMZRBFBMY-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC001192371419 1135008244 /nfs/dbraw/zinc/00/82/44/1135008244.db2.gz YZEUTMMZRBFBMY-QZTJIDSGSA-N 1 2 331.456 3.714 20 0 EHADLO Cc1cc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC001192382099 1135009728 /nfs/dbraw/zinc/00/97/28/1135009728.db2.gz IDVYGPWCCNIXHU-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534109 1135024805 /nfs/dbraw/zinc/02/48/05/1135024805.db2.gz CRMANBJOTFENMT-BEFAXECRSA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534109 1135024809 /nfs/dbraw/zinc/02/48/09/1135024809.db2.gz CRMANBJOTFENMT-BEFAXECRSA-N 1 2 327.424 3.992 20 0 EHADLO CSc1ccc(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)s1 ZINC001192642084 1135042596 /nfs/dbraw/zinc/04/25/96/1135042596.db2.gz PSBLESYHPRHUKF-UHFFFAOYSA-N 1 2 347.509 3.553 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(CC)cn1 ZINC001193284157 1135122017 /nfs/dbraw/zinc/12/20/17/1135122017.db2.gz WJYPRSNXYGXJHC-GOSISDBHSA-N 1 2 347.503 3.865 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC)cn1 ZINC001193284157 1135122019 /nfs/dbraw/zinc/12/20/19/1135122019.db2.gz WJYPRSNXYGXJHC-GOSISDBHSA-N 1 2 347.503 3.865 20 0 EHADLO COc1ncc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c2ccccc21 ZINC001193412432 1135137123 /nfs/dbraw/zinc/13/71/23/1135137123.db2.gz CQFMCKDUFZVCLY-QGZVFWFLSA-N 1 2 342.439 3.550 20 0 EHADLO COc1ncc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c2ccccc21 ZINC001193412432 1135137126 /nfs/dbraw/zinc/13/71/26/1135137126.db2.gz CQFMCKDUFZVCLY-QGZVFWFLSA-N 1 2 342.439 3.550 20 0 EHADLO CCCCOC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001193722701 1135172464 /nfs/dbraw/zinc/17/24/64/1135172464.db2.gz XCWRAUHSCIQHRQ-UHFFFAOYSA-N 1 2 342.842 3.970 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccccc1-c1cccc(Cl)c1 ZINC001193803823 1135186379 /nfs/dbraw/zinc/18/63/79/1135186379.db2.gz QEUPKRLNUMJBBZ-UHFFFAOYSA-N 1 2 325.799 3.634 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001170468588 1135205471 /nfs/dbraw/zinc/20/54/71/1135205471.db2.gz GQFXBZPXGUVUJY-QZTJIDSGSA-N 1 2 332.463 3.691 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](F)C2)cc1 ZINC001170468588 1135205476 /nfs/dbraw/zinc/20/54/76/1135205476.db2.gz GQFXBZPXGUVUJY-QZTJIDSGSA-N 1 2 332.463 3.691 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1SC ZINC001193988967 1135211894 /nfs/dbraw/zinc/21/18/94/1135211894.db2.gz ISOFNOWBVVQSLZ-UHFFFAOYSA-N 1 2 348.434 3.641 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccccc1SC ZINC001193988967 1135211897 /nfs/dbraw/zinc/21/18/97/1135211897.db2.gz ISOFNOWBVVQSLZ-UHFFFAOYSA-N 1 2 348.434 3.641 20 0 EHADLO CC(C)c1cccc2c1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C2 ZINC001194051284 1135221463 /nfs/dbraw/zinc/22/14/63/1135221463.db2.gz AWKQMLVJNDEGMS-UHFFFAOYSA-N 1 2 337.529 3.772 20 0 EHADLO CC(C)c1cccc2c1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)C2 ZINC001194051284 1135221470 /nfs/dbraw/zinc/22/14/70/1135221470.db2.gz AWKQMLVJNDEGMS-UHFFFAOYSA-N 1 2 337.529 3.772 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC001194246846 1135250101 /nfs/dbraw/zinc/25/01/01/1135250101.db2.gz AAVRSRZBEWWVNN-OAHLLOKOSA-N 1 2 328.387 3.703 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001194723818 1135312820 /nfs/dbraw/zinc/31/28/20/1135312820.db2.gz LBCHFPBLPPJYKW-UHFFFAOYSA-N 1 2 333.407 3.733 20 0 EHADLO Cc1c2ccc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)cc2nn1C ZINC001194909285 1135339037 /nfs/dbraw/zinc/33/90/37/1135339037.db2.gz KXLGYVLUHHTXTN-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001194910744 1135339311 /nfs/dbraw/zinc/33/93/11/1135339311.db2.gz XTBDGAJZVSRGJJ-HDICACEKSA-N 1 2 343.430 3.814 20 0 EHADLO c1coc([C@@H](Cc2ccccc2)[NH2+]Cc2cccc3nsnc32)n1 ZINC001195558616 1135441325 /nfs/dbraw/zinc/44/13/25/1135441325.db2.gz PYOUGAAIGSCDLX-MRXNPFEDSA-N 1 2 336.420 3.753 20 0 EHADLO C[C@H](Cc1nc([C@@H]2CCSc3ccccc32)no1)n1cc[nH+]c1 ZINC000867144329 1135495416 /nfs/dbraw/zinc/49/54/16/1135495416.db2.gz VHPLZGATCOVGAH-TZMCWYRMSA-N 1 2 326.425 3.698 20 0 EHADLO CC[C@@H](C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(OC)cc1 ZINC000775684342 1135505454 /nfs/dbraw/zinc/50/54/54/1135505454.db2.gz FMNNYCCTCGGKRO-QGZVFWFLSA-N 1 2 342.439 3.526 20 0 EHADLO CCSc1ccccc1C[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC001196323780 1135546501 /nfs/dbraw/zinc/54/65/01/1135546501.db2.gz XIDNCADKGUIBCI-UHFFFAOYSA-N 1 2 334.529 3.879 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c1Cl ZINC001196403331 1135556059 /nfs/dbraw/zinc/55/60/59/1135556059.db2.gz UJCSMSCRLABIOA-ZDUSSCGKSA-N 1 2 337.847 3.660 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c1Cl ZINC001196403331 1135556061 /nfs/dbraw/zinc/55/60/61/1135556061.db2.gz UJCSMSCRLABIOA-ZDUSSCGKSA-N 1 2 337.847 3.660 20 0 EHADLO CCCSCc1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867183321 1135583300 /nfs/dbraw/zinc/58/33/00/1135583300.db2.gz DOUGCWYWGHLTIC-MRXNPFEDSA-N 1 2 347.484 3.595 20 0 EHADLO CCCSCc1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867183321 1135583305 /nfs/dbraw/zinc/58/33/05/1135583305.db2.gz DOUGCWYWGHLTIC-MRXNPFEDSA-N 1 2 347.484 3.595 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2CC3(CCCC3)CC2=O)cc1 ZINC000747456187 1135619362 /nfs/dbraw/zinc/61/93/62/1135619362.db2.gz FDDPDOKJAZQEDH-SFHVURJKSA-N 1 2 344.524 3.835 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2CC3(CCCC3)CC2=O)cc1 ZINC000747456187 1135619366 /nfs/dbraw/zinc/61/93/66/1135619366.db2.gz FDDPDOKJAZQEDH-SFHVURJKSA-N 1 2 344.524 3.835 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808137271 1135622717 /nfs/dbraw/zinc/62/27/17/1135622717.db2.gz YDBQLVJGOAGHQL-CXAGYDPISA-N 1 2 341.480 3.629 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808137271 1135622718 /nfs/dbraw/zinc/62/27/18/1135622718.db2.gz YDBQLVJGOAGHQL-CXAGYDPISA-N 1 2 341.480 3.629 20 0 EHADLO CC1(C)CC(=O)N(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000808178094 1135626633 /nfs/dbraw/zinc/62/66/33/1135626633.db2.gz BGPLDXWFQHCVQM-UHFFFAOYSA-N 1 2 334.410 3.660 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000808166415 1135629818 /nfs/dbraw/zinc/62/98/18/1135629818.db2.gz YPCWLJPDXMDGMI-MNEFBYGVSA-N 1 2 335.451 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000808166415 1135629819 /nfs/dbraw/zinc/62/98/19/1135629819.db2.gz YPCWLJPDXMDGMI-MNEFBYGVSA-N 1 2 335.451 3.642 20 0 EHADLO FC[C@@H]([NH2+]Cc1ccnc(Br)c1)c1ccc(F)cc1 ZINC001197136175 1135648665 /nfs/dbraw/zinc/64/86/65/1135648665.db2.gz WPMSFJOMLGAHMD-CYBMUJFWSA-N 1 2 327.172 3.784 20 0 EHADLO Cc1c(C[NH2+]Cc2nccc(C(F)F)n2)sc2nc(C)nc(C)c12 ZINC000808435632 1135666852 /nfs/dbraw/zinc/66/68/52/1135666852.db2.gz RSUBHAXCEDVHEF-UHFFFAOYSA-N 1 2 349.410 3.634 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2Cc2nc(C(F)(F)F)cs2)[nH+]c1C ZINC001197711007 1135728362 /nfs/dbraw/zinc/72/83/62/1135728362.db2.gz QHAGWPGJXLZNOL-JTQLQIEISA-N 1 2 330.379 3.839 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)s1 ZINC001197936873 1135753048 /nfs/dbraw/zinc/75/30/48/1135753048.db2.gz BSOLXGRZDDRKPE-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO Cc1c(Br)ccc(F)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131515909 1135760819 /nfs/dbraw/zinc/76/08/19/1135760819.db2.gz FLVDMYWGNSFJJA-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001198050722 1135765600 /nfs/dbraw/zinc/76/56/00/1135765600.db2.gz KDKKPNZODNSINV-BBRMVZONSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001198050722 1135765606 /nfs/dbraw/zinc/76/56/06/1135765606.db2.gz KDKKPNZODNSINV-BBRMVZONSA-N 1 2 330.255 3.528 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=S)Nc2ccccc2C)CC1 ZINC001198411295 1135812500 /nfs/dbraw/zinc/81/25/00/1135812500.db2.gz IHIAJGSJWSDHFZ-UHFFFAOYSA-N 1 2 340.496 3.634 20 0 EHADLO C[C@H](c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1)C(F)(F)F ZINC000830013529 1135830413 /nfs/dbraw/zinc/83/04/13/1135830413.db2.gz LTFJWXHWIPYVMG-BXUZGUMPSA-N 1 2 329.362 3.878 20 0 EHADLO C[C@H](c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1)C(F)(F)F ZINC000830013529 1135830418 /nfs/dbraw/zinc/83/04/18/1135830418.db2.gz LTFJWXHWIPYVMG-BXUZGUMPSA-N 1 2 329.362 3.878 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cc(Cl)cs4)n3)[nH+]c12 ZINC000809368256 1135832053 /nfs/dbraw/zinc/83/20/53/1135832053.db2.gz YIYDUTKRDUOXLF-UHFFFAOYSA-N 1 2 330.800 3.998 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc3n[nH]cc3c2)no1)c1ccccc1 ZINC000809496704 1135845594 /nfs/dbraw/zinc/84/55/94/1135845594.db2.gz VACITPXWFHQMCY-LJQANCHMSA-N 1 2 347.422 3.578 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc3n[nH]cc3c2)no1)c1ccccc1 ZINC000809496704 1135845599 /nfs/dbraw/zinc/84/55/99/1135845599.db2.gz VACITPXWFHQMCY-LJQANCHMSA-N 1 2 347.422 3.578 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=S)Nc2cccc(C)c2)CC1 ZINC001198671603 1135845913 /nfs/dbraw/zinc/84/59/13/1135845913.db2.gz WHWLEEKAEYZSLA-UHFFFAOYSA-N 1 2 340.496 3.634 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1nc2ccccn2c1Br)C1CC1 ZINC000809547531 1135854728 /nfs/dbraw/zinc/85/47/28/1135854728.db2.gz RKLNNANRXMXGPW-LLVKDONJSA-N 1 2 334.261 3.860 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1nc2ccccn2c1Br)C1CC1 ZINC000809547531 1135854733 /nfs/dbraw/zinc/85/47/33/1135854733.db2.gz RKLNNANRXMXGPW-LLVKDONJSA-N 1 2 334.261 3.860 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c(C)c1OC ZINC000809589253 1135858678 /nfs/dbraw/zinc/85/86/78/1135858678.db2.gz FLHQRVYLXLNWPN-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c(C)c1OC ZINC000809589253 1135858681 /nfs/dbraw/zinc/85/86/81/1135858681.db2.gz FLHQRVYLXLNWPN-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(CC)s1 ZINC000809690661 1135872427 /nfs/dbraw/zinc/87/24/27/1135872427.db2.gz BQPPAJBJLIQAPK-CQSZACIVSA-N 1 2 339.505 3.586 20 0 EHADLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(CC)s1 ZINC000809690661 1135872430 /nfs/dbraw/zinc/87/24/30/1135872430.db2.gz BQPPAJBJLIQAPK-CQSZACIVSA-N 1 2 339.505 3.586 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[NH+]3CCC(c4cccnc4)CC3)n2)c1 ZINC000809738201 1135882784 /nfs/dbraw/zinc/88/27/84/1135882784.db2.gz TYOROLJMBYCDER-UHFFFAOYSA-N 1 2 347.466 3.659 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000810046108 1135915392 /nfs/dbraw/zinc/91/53/92/1135915392.db2.gz GGPNDDDTZOASOS-ZDUSSCGKSA-N 1 2 348.418 3.878 20 0 EHADLO Cc1cn2cc(NC(=O)NC3(c4cccc(F)c4)CCC3)ccc2[nH+]1 ZINC001199767822 1135927310 /nfs/dbraw/zinc/92/73/10/1135927310.db2.gz NAFKVSPKVCAIGH-UHFFFAOYSA-N 1 2 338.386 3.983 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn3ccsc3n2)c(Br)c1 ZINC001199802405 1135930751 /nfs/dbraw/zinc/93/07/51/1135930751.db2.gz YMHRBSBOJCHRDX-UHFFFAOYSA-N 1 2 340.221 3.587 20 0 EHADLO O=C(Cc1cccc(Cl)c1F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000810225047 1135940530 /nfs/dbraw/zinc/94/05/30/1135940530.db2.gz RGEQAAIEQSHJED-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cncc(Br)c1 ZINC000794437063 1135958042 /nfs/dbraw/zinc/95/80/42/1135958042.db2.gz VZNRHMILZPWCPM-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cncc(Br)c1 ZINC000794437063 1135958046 /nfs/dbraw/zinc/95/80/46/1135958046.db2.gz VZNRHMILZPWCPM-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1Br)c1ccc(F)cc1F ZINC001200942498 1135971171 /nfs/dbraw/zinc/97/11/71/1135971171.db2.gz SVLJXOIPJBRBIK-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc(N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)[nH+]c1 ZINC001170608772 1135971008 /nfs/dbraw/zinc/97/10/08/1135971008.db2.gz DLTAMDFFWXMNRY-FQEVSTJZSA-N 1 2 342.402 3.618 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 ZINC001203963130 1135983436 /nfs/dbraw/zinc/98/34/36/1135983436.db2.gz LAOYFEBCKLFZCL-UHFFFAOYSA-N 1 2 346.471 3.671 20 0 EHADLO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 ZINC001203963130 1135983437 /nfs/dbraw/zinc/98/34/37/1135983437.db2.gz LAOYFEBCKLFZCL-UHFFFAOYSA-N 1 2 346.471 3.671 20 0 EHADLO CC[C@H]1CCC[C@H](CNc2ccc(N3CCC(CO)CC3)c[nH+]2)C1 ZINC001201180325 1135992792 /nfs/dbraw/zinc/99/27/92/1135992792.db2.gz SMIUQOFLCFYURG-WMZOPIPTSA-N 1 2 331.504 3.919 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]cn2CC2CCC2)cc1 ZINC001201195498 1135994344 /nfs/dbraw/zinc/99/43/44/1135994344.db2.gz KCNKQMYDFPWEES-UHFFFAOYSA-N 1 2 346.525 3.892 20 0 EHADLO Cc1cc(C)cc(NC(=S)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001201212419 1135996864 /nfs/dbraw/zinc/99/68/64/1135996864.db2.gz AEOJCSOVDQMVSP-UHFFFAOYSA-N 1 2 328.485 3.787 20 0 EHADLO Cc1cc(C)cc(NC(=S)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001201218257 1135999439 /nfs/dbraw/zinc/99/94/39/1135999439.db2.gz XMBAQWGUGHAGJH-INIZCTEOSA-N 1 2 340.496 3.654 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2ccc(N)[nH+]c2)C1 ZINC001201287114 1136000985 /nfs/dbraw/zinc/00/09/85/1136000985.db2.gz UEYJKHSFXCBOFT-UHFFFAOYSA-N 1 2 340.427 3.701 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(N)[nH+]c3)cc2C1 ZINC001201285140 1136001124 /nfs/dbraw/zinc/00/11/24/1136001124.db2.gz BGIDXZKUYQBCDI-UHFFFAOYSA-N 1 2 340.427 3.701 20 0 EHADLO COc1cc(F)c(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC001201258002 1136001862 /nfs/dbraw/zinc/00/18/62/1136001862.db2.gz XSWADBJVGLRLRD-UHFFFAOYSA-N 1 2 345.349 3.780 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2c1cccc2Nc1ccc(N)[nH+]c1 ZINC001201295833 1136003728 /nfs/dbraw/zinc/00/37/28/1136003728.db2.gz TTXUPIJIMGEDKA-UHFFFAOYSA-N 1 2 326.400 3.705 20 0 EHADLO Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Nc1ccc(N)[nH+]c1 ZINC001201278542 1136003759 /nfs/dbraw/zinc/00/37/59/1136003759.db2.gz CTBNBRIRSMIZEP-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)CC1(F)F ZINC001201422065 1136018607 /nfs/dbraw/zinc/01/86/07/1136018607.db2.gz GLJIAGSCMMDMKY-KGLIPLIRSA-N 1 2 330.419 3.577 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC1(F)F ZINC001201422065 1136018610 /nfs/dbraw/zinc/01/86/10/1136018610.db2.gz GLJIAGSCMMDMKY-KGLIPLIRSA-N 1 2 330.419 3.577 20 0 EHADLO CC(C)[NH2+]c1ccc(-n2cnc(N)c3c(Br)cnc2-3)cc1 ZINC001201489917 1136026989 /nfs/dbraw/zinc/02/69/89/1136026989.db2.gz XHLHXQIHYHUWBX-UHFFFAOYSA-N 1 2 346.232 3.537 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1sccc1Cl)c1ccccc1Cl ZINC001201727280 1136055949 /nfs/dbraw/zinc/05/59/49/1136055949.db2.gz OOWXJDZLGQOVNI-LBPRGKRZSA-N 1 2 329.252 3.761 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nn1-c1ccccc1 ZINC001201750201 1136058407 /nfs/dbraw/zinc/05/84/07/1136058407.db2.gz HTNFTBQESJVAKR-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1O ZINC000776222545 1136070731 /nfs/dbraw/zinc/07/07/31/1136070731.db2.gz OCYBGZBSPLNENU-UHFFFAOYSA-N 1 2 330.815 3.894 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1ccccc1Br ZINC001201986155 1136083244 /nfs/dbraw/zinc/08/32/44/1136083244.db2.gz IXODACQSEKWQKI-UHFFFAOYSA-N 1 2 349.232 3.692 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1ccc(Cl)cc1Cl ZINC001202088293 1136092710 /nfs/dbraw/zinc/09/27/10/1136092710.db2.gz DDRULKMLJZCZBF-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1c(Cl)cccc1Cl ZINC001202113888 1136101177 /nfs/dbraw/zinc/10/11/77/1136101177.db2.gz PCAAZYYZUCFTOW-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO Clc1nn(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ccccc12 ZINC000811790322 1136140822 /nfs/dbraw/zinc/14/08/22/1136140822.db2.gz AVPCXRSZZDNBCM-HZPDHXFCSA-N 1 2 331.847 3.681 20 0 EHADLO Clc1nn(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ccccc12 ZINC000811790322 1136140824 /nfs/dbraw/zinc/14/08/24/1136140824.db2.gz AVPCXRSZZDNBCM-HZPDHXFCSA-N 1 2 331.847 3.681 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2c(c1)CCC2 ZINC001133032576 1136146426 /nfs/dbraw/zinc/14/64/26/1136146426.db2.gz FKZLPGUKCIWHTP-FQEVSTJZSA-N 1 2 331.419 3.543 20 0 EHADLO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCc2c[nH+]cn2C)c1 ZINC000747779085 1136186218 /nfs/dbraw/zinc/18/62/18/1136186218.db2.gz BMANCPPVYBTJNV-UHFFFAOYSA-N 1 2 348.402 3.625 20 0 EHADLO C[C@H](Nc1cc2c3c(c1)CCC[NH+]3CCC2)[C@H](O)c1cccc(O)c1 ZINC001170676091 1136198219 /nfs/dbraw/zinc/19/82/19/1136198219.db2.gz VEMZESBHYJKULA-QKKBWIMNSA-N 1 2 338.451 3.625 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cs1 ZINC000850151136 1136214797 /nfs/dbraw/zinc/21/47/97/1136214797.db2.gz SEINSFXFEKDGRL-VIFPVBQESA-N 1 2 332.395 3.870 20 0 EHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)[C@@H]1CC=CCC1 ZINC001133449595 1136247835 /nfs/dbraw/zinc/24/78/35/1136247835.db2.gz QBZCANDYDIZEER-LJQANCHMSA-N 1 2 335.451 3.561 20 0 EHADLO COc1cccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1C ZINC000850840523 1136310651 /nfs/dbraw/zinc/31/06/51/1136310651.db2.gz WGFMYDWSLQMART-UHFFFAOYSA-N 1 2 343.423 3.513 20 0 EHADLO CC(=CC(=O)Nc1c(C)c[nH+]cc1C)c1ccccc1OC(F)F ZINC001133681968 1136312073 /nfs/dbraw/zinc/31/20/73/1136312073.db2.gz DMAPTQVIPSRNQR-FLIBITNWSA-N 1 2 332.350 3.764 20 0 EHADLO C[C@H](NCc1coc(-c2cccs2)n1)c1cn2c([nH+]1)CCCC2 ZINC000813324792 1136316041 /nfs/dbraw/zinc/31/60/41/1136316041.db2.gz SEEGTWFNISUBGF-LBPRGKRZSA-N 1 2 328.441 3.787 20 0 EHADLO CO[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000851013338 1136328564 /nfs/dbraw/zinc/32/85/64/1136328564.db2.gz PMNOVNOJJRJABV-QAPCUYQASA-N 1 2 340.423 3.607 20 0 EHADLO CCC1(C(=O)OCC2CN(c3cccc[nH+]3)C2)CCC(F)(F)CC1 ZINC000851099423 1136337420 /nfs/dbraw/zinc/33/74/20/1136337420.db2.gz RTPJYRIBBMGVLV-UHFFFAOYSA-N 1 2 338.398 3.667 20 0 EHADLO CCN(C)c1ccccc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000813861694 1136367654 /nfs/dbraw/zinc/36/76/54/1136367654.db2.gz WVCCIRVZUFWXAR-SFHVURJKSA-N 1 2 327.476 3.672 20 0 EHADLO C[N@@H+]1CCCc2cc(N[C@@H](c3nc[nH]n3)C3CCCCC3)ccc21 ZINC000813867062 1136368607 /nfs/dbraw/zinc/36/86/07/1136368607.db2.gz AWNSLMQHRMSZCD-GOSISDBHSA-N 1 2 325.460 3.921 20 0 EHADLO C[N@H+]1CCCc2cc(N[C@@H](c3nc[nH]n3)C3CCCCC3)ccc21 ZINC000813867062 1136368611 /nfs/dbraw/zinc/36/86/11/1136368611.db2.gz AWNSLMQHRMSZCD-GOSISDBHSA-N 1 2 325.460 3.921 20 0 EHADLO CCS[C@@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000851398527 1136376251 /nfs/dbraw/zinc/37/62/51/1136376251.db2.gz BJDLGCUJWCJIAX-QGZVFWFLSA-N 1 2 336.501 3.619 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000851398096 1136376292 /nfs/dbraw/zinc/37/62/92/1136376292.db2.gz PWAFQENIBDPKCF-UHFFFAOYSA-N 1 2 336.391 3.901 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H](F)c1ccccc1 ZINC000851399733 1136376649 /nfs/dbraw/zinc/37/66/49/1136376649.db2.gz FWSPUJMXSLGZJO-SFHVURJKSA-N 1 2 328.387 3.552 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)cs1 ZINC000851400801 1136376907 /nfs/dbraw/zinc/37/69/07/1136376907.db2.gz QLPHSKRXZIJSON-UHFFFAOYSA-N 1 2 336.844 3.870 20 0 EHADLO Cc1ccc(F)c(CC(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851402271 1136377480 /nfs/dbraw/zinc/37/74/80/1136377480.db2.gz WCNLJPWIWWMTEN-UHFFFAOYSA-N 1 2 342.414 3.531 20 0 EHADLO Cc1cccc2c1[C@H](OC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000814027619 1136387929 /nfs/dbraw/zinc/38/79/29/1136387929.db2.gz IIRBGWSRNORSOS-GOSISDBHSA-N 1 2 334.375 3.861 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(F)n2)CC1 ZINC000851787068 1136407258 /nfs/dbraw/zinc/40/72/58/1136407258.db2.gz NBXDZFQXTHHEBX-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO Fc1cc([C@@H]2CCC[N@H+]2CCOC(F)F)ccc1Br ZINC000852006084 1136427367 /nfs/dbraw/zinc/42/73/67/1136427367.db2.gz DWBNDECNSXLGRN-LBPRGKRZSA-N 1 2 338.167 3.964 20 0 EHADLO Fc1cc([C@@H]2CCC[N@@H+]2CCOC(F)F)ccc1Br ZINC000852006084 1136427369 /nfs/dbraw/zinc/42/73/69/1136427369.db2.gz DWBNDECNSXLGRN-LBPRGKRZSA-N 1 2 338.167 3.964 20 0 EHADLO Cc1nc(C[N@@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)c(C)o1 ZINC000852051807 1136429744 /nfs/dbraw/zinc/42/97/44/1136429744.db2.gz GNWXKUGZRTXGSP-UHFFFAOYSA-N 1 2 349.475 3.561 20 0 EHADLO Cc1nc(C[N@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)c(C)o1 ZINC000852051807 1136429747 /nfs/dbraw/zinc/42/97/47/1136429747.db2.gz GNWXKUGZRTXGSP-UHFFFAOYSA-N 1 2 349.475 3.561 20 0 EHADLO CC(C)CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)C ZINC000265952057 1136454846 /nfs/dbraw/zinc/45/48/46/1136454846.db2.gz IYVSGNXKZPLDTI-UHFFFAOYSA-N 1 2 328.460 3.507 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)n1 ZINC000852782713 1136486596 /nfs/dbraw/zinc/48/65/96/1136486596.db2.gz RVXXKETUEHGVNI-AWEZNQCLSA-N 1 2 329.444 3.834 20 0 EHADLO Cc1ccc(NC(=O)NC[C@H]2CCCCC(F)(F)C2)c(N(C)C)[nH+]1 ZINC000814678935 1136490054 /nfs/dbraw/zinc/49/00/54/1136490054.db2.gz YFFWANSVSQVSKV-ZDUSSCGKSA-N 1 2 340.418 3.793 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747970634 1136493837 /nfs/dbraw/zinc/49/38/37/1136493837.db2.gz SWRCRLGABZGBAV-HNNXBMFYSA-N 1 2 346.906 3.709 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747970634 1136493835 /nfs/dbraw/zinc/49/38/35/1136493835.db2.gz SWRCRLGABZGBAV-HNNXBMFYSA-N 1 2 346.906 3.709 20 0 EHADLO Cc1nn(Cc2ccc3ccccc3c2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852963669 1136494163 /nfs/dbraw/zinc/49/41/63/1136494163.db2.gz WQUQJERNSLEMFH-HXUWFJFHSA-N 1 2 335.451 3.705 20 0 EHADLO Cc1nn(Cc2ccc3ccccc3c2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852963669 1136494165 /nfs/dbraw/zinc/49/41/65/1136494165.db2.gz WQUQJERNSLEMFH-HXUWFJFHSA-N 1 2 335.451 3.705 20 0 EHADLO CCCc1ccc(Cn2nc(C)c([C@H]3COCC[N@@H+]3C)c2C)cc1 ZINC000852962278 1136494231 /nfs/dbraw/zinc/49/42/31/1136494231.db2.gz ILOZLRRTDABKMW-LJQANCHMSA-N 1 2 327.472 3.504 20 0 EHADLO CCCc1ccc(Cn2nc(C)c([C@H]3COCC[N@H+]3C)c2C)cc1 ZINC000852962278 1136494234 /nfs/dbraw/zinc/49/42/34/1136494234.db2.gz ILOZLRRTDABKMW-LJQANCHMSA-N 1 2 327.472 3.504 20 0 EHADLO CCCc1ccc(Cn2nc(C)c([C@@H]3COCC[N@@H+]3C)c2C)cc1 ZINC000852962276 1136494240 /nfs/dbraw/zinc/49/42/40/1136494240.db2.gz ILOZLRRTDABKMW-IBGZPJMESA-N 1 2 327.472 3.504 20 0 EHADLO CCCc1ccc(Cn2nc(C)c([C@@H]3COCC[N@H+]3C)c2C)cc1 ZINC000852962276 1136494242 /nfs/dbraw/zinc/49/42/42/1136494242.db2.gz ILOZLRRTDABKMW-IBGZPJMESA-N 1 2 327.472 3.504 20 0 EHADLO O[C@H](C[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067157 1136505528 /nfs/dbraw/zinc/50/55/28/1136505528.db2.gz PUXMXYOKSOENPB-SJLPKXTDSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@H](C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067157 1136505531 /nfs/dbraw/zinc/50/55/31/1136505531.db2.gz PUXMXYOKSOENPB-SJLPKXTDSA-N 1 2 330.378 3.620 20 0 EHADLO CC(C)CCOC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853491545 1136537667 /nfs/dbraw/zinc/53/76/67/1136537667.db2.gz UJVIHLXGUREQSL-UHFFFAOYSA-N 1 2 325.884 3.899 20 0 EHADLO Clc1cnn(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C1CC1 ZINC000853506603 1136539140 /nfs/dbraw/zinc/53/91/40/1136539140.db2.gz CJMJLPPDEVSPTK-SFHVURJKSA-N 1 2 329.831 3.503 20 0 EHADLO Clc1cnn(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C1CC1 ZINC000853506603 1136539142 /nfs/dbraw/zinc/53/91/42/1136539142.db2.gz CJMJLPPDEVSPTK-SFHVURJKSA-N 1 2 329.831 3.503 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)oc3cc(OC)ccc23)cs1 ZINC000111375413 1136539637 /nfs/dbraw/zinc/53/96/37/1136539637.db2.gz JVLQZZXOQZAVLA-NSHDSACASA-N 1 2 344.436 3.671 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)C[C@H]2CCc3ccccc32)nc1C1CCC1 ZINC000853611239 1136549451 /nfs/dbraw/zinc/54/94/51/1136549451.db2.gz ZVFLHCAIMKHIEO-MRXNPFEDSA-N 1 2 342.512 3.838 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)C[C@H]2CCc3ccccc32)nc1C1CCC1 ZINC000853611239 1136549453 /nfs/dbraw/zinc/54/94/53/1136549453.db2.gz ZVFLHCAIMKHIEO-MRXNPFEDSA-N 1 2 342.512 3.838 20 0 EHADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116389 1136551130 /nfs/dbraw/zinc/55/11/30/1136551130.db2.gz KYQSCSMFQIOFDR-AFAVFJNCSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116389 1136551133 /nfs/dbraw/zinc/55/11/33/1136551133.db2.gz KYQSCSMFQIOFDR-AFAVFJNCSA-N 1 2 339.357 3.525 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3c[nH]nc3C(C)(C)C)c2)[nH+]c1C ZINC000815099445 1136555592 /nfs/dbraw/zinc/55/55/92/1136555592.db2.gz WCUOCPKARCVVHD-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn[nH]c3C(C)(C)C)c2)[nH+]c1C ZINC000815099445 1136555593 /nfs/dbraw/zinc/55/55/93/1136555593.db2.gz WCUOCPKARCVVHD-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO CCc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)nc1 ZINC000815099174 1136556456 /nfs/dbraw/zinc/55/64/56/1136556456.db2.gz RDQNRBTZXBLSDS-HDICACEKSA-N 1 2 345.487 3.618 20 0 EHADLO CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)nc1 ZINC000815099174 1136556457 /nfs/dbraw/zinc/55/64/57/1136556457.db2.gz RDQNRBTZXBLSDS-HDICACEKSA-N 1 2 345.487 3.618 20 0 EHADLO Cn1ncc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl ZINC000815133736 1136560251 /nfs/dbraw/zinc/56/02/51/1136560251.db2.gz UMDABIYITVVFIQ-LBPRGKRZSA-N 1 2 335.732 3.996 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC(C)(C)CC(F)(F)F ZINC000853998892 1136579352 /nfs/dbraw/zinc/57/93/52/1136579352.db2.gz CTPVHADCDHNLSK-UHFFFAOYSA-N 1 2 329.370 3.972 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC3(C)C)n2)O1 ZINC000854108568 1136588105 /nfs/dbraw/zinc/58/81/05/1136588105.db2.gz AUFKLRXBFGFUNZ-KBMXLJTQSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC3(C)C)n2)O1 ZINC000854108568 1136588107 /nfs/dbraw/zinc/58/81/07/1136588107.db2.gz AUFKLRXBFGFUNZ-KBMXLJTQSA-N 1 2 327.428 3.545 20 0 EHADLO Cc1cc(CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000854960517 1136657300 /nfs/dbraw/zinc/65/73/00/1136657300.db2.gz IUGFMNIDGJGNDI-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO Brc1cccc2c(CN3CCn4c[nH+]cc4C3)cccc12 ZINC001170827629 1136724352 /nfs/dbraw/zinc/72/43/52/1136724352.db2.gz UVADYMYKEYDYKI-UHFFFAOYSA-N 1 2 342.240 3.815 20 0 EHADLO COc1cccc(C=C2CC[NH+](Cc3cnn(C)c3Cl)CC2)c1 ZINC000816521734 1136732826 /nfs/dbraw/zinc/73/28/26/1136732826.db2.gz XPWAJTMZAHEDDQ-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO Cc1c2cccc(Cl)c2sc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000816572979 1136738719 /nfs/dbraw/zinc/73/87/19/1136738719.db2.gz KJLOGMMRUQGPPY-UHFFFAOYSA-N 1 2 336.848 3.602 20 0 EHADLO Cn1ncc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1Cl ZINC000816610634 1136740843 /nfs/dbraw/zinc/74/08/43/1136740843.db2.gz RXERRMIDXDRPPN-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO Cn1ncc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1Cl ZINC000816610634 1136740845 /nfs/dbraw/zinc/74/08/45/1136740845.db2.gz RXERRMIDXDRPPN-UHFFFAOYSA-N 1 2 340.858 3.713 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCCCC(C)C)CC1 ZINC001135665057 1136747639 /nfs/dbraw/zinc/74/76/39/1136747639.db2.gz BRQHKNLNLTZCNQ-UHFFFAOYSA-N 1 2 346.515 3.864 20 0 EHADLO CC(=O)Nc1nc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cs1 ZINC000173329206 1136765199 /nfs/dbraw/zinc/76/51/99/1136765199.db2.gz AQBKUSMWRSWLRY-UHFFFAOYSA-N 1 2 335.860 3.924 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](C2CCCC2)C1 ZINC000817156679 1136782515 /nfs/dbraw/zinc/78/25/15/1136782515.db2.gz UUTAIKDMEHAEAC-GOSISDBHSA-N 1 2 338.455 3.594 20 0 EHADLO CS(=O)(=O)CC[N@H+](Cc1ccc(Cl)c2ccccc12)C1CC1 ZINC000817275996 1136792904 /nfs/dbraw/zinc/79/29/04/1136792904.db2.gz QHXHYTLPAYNLFF-UHFFFAOYSA-N 1 2 337.872 3.502 20 0 EHADLO CS(=O)(=O)CC[N@@H+](Cc1ccc(Cl)c2ccccc12)C1CC1 ZINC000817275996 1136792907 /nfs/dbraw/zinc/79/29/07/1136792907.db2.gz QHXHYTLPAYNLFF-UHFFFAOYSA-N 1 2 337.872 3.502 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817368877 1136800687 /nfs/dbraw/zinc/80/06/87/1136800687.db2.gz MYNFZBVUFUNXJS-OAHLLOKOSA-N 1 2 330.457 3.737 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817368877 1136800690 /nfs/dbraw/zinc/80/06/90/1136800690.db2.gz MYNFZBVUFUNXJS-OAHLLOKOSA-N 1 2 330.457 3.737 20 0 EHADLO CN(C)c1cc(COC(=O)c2cscc2C(F)(F)F)cc[nH+]1 ZINC000856986394 1136830566 /nfs/dbraw/zinc/83/05/66/1136830566.db2.gz VFSSXMTYTOGEPH-UHFFFAOYSA-N 1 2 330.331 3.585 20 0 EHADLO C/C(=C\C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000857028130 1136834716 /nfs/dbraw/zinc/83/47/16/1136834716.db2.gz KNZAGBICQAMYTP-NTCAYCPXSA-N 1 2 342.464 3.622 20 0 EHADLO [NH3+][C@H](C(=O)N1CCC(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000817934760 1136846725 /nfs/dbraw/zinc/84/67/25/1136846725.db2.gz NYXSNBFGRSENDS-SFHVURJKSA-N 1 2 348.368 3.510 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C\c2ccccc2F)[nH+]1 ZINC000818012384 1136858132 /nfs/dbraw/zinc/85/81/32/1136858132.db2.gz VQVIDJLRJZOXTA-QXMHVHEDSA-N 1 2 343.398 3.735 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000818195758 1136865185 /nfs/dbraw/zinc/86/51/85/1136865185.db2.gz KJSAPIXBPNEWIQ-MOPGFXCFSA-N 1 2 329.444 3.758 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)n1 ZINC000818346941 1136870083 /nfs/dbraw/zinc/87/00/83/1136870083.db2.gz WJKOWESFOGQENC-GFCCVEGCSA-N 1 2 336.867 3.898 20 0 EHADLO Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)CC2 ZINC000776955973 1136901466 /nfs/dbraw/zinc/90/14/66/1136901466.db2.gz NDGLPCCDDQMECB-UHFFFAOYSA-N 1 2 338.455 3.663 20 0 EHADLO Cc1noc(C[C@@H]([NH2+]Cc2nc3ccccc3o2)c2ccccc2)n1 ZINC000429543303 1136904504 /nfs/dbraw/zinc/90/45/04/1136904504.db2.gz VKXBAFKVPALAFC-MRXNPFEDSA-N 1 2 334.379 3.593 20 0 EHADLO COc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1OC1CCCC1 ZINC000857854652 1136913232 /nfs/dbraw/zinc/91/32/32/1136913232.db2.gz PAMIRMGCUVVMDE-KRWDZBQOSA-N 1 2 341.455 3.907 20 0 EHADLO COc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1OC1CCCC1 ZINC000857854652 1136913233 /nfs/dbraw/zinc/91/32/33/1136913233.db2.gz PAMIRMGCUVVMDE-KRWDZBQOSA-N 1 2 341.455 3.907 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857979832 1136926802 /nfs/dbraw/zinc/92/68/02/1136926802.db2.gz FVCUVJJYYHXMAR-ZACQAIPSSA-N 1 2 333.476 3.600 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCn4c[nH+]cc43)c2c1 ZINC000857983604 1136927367 /nfs/dbraw/zinc/92/73/67/1136927367.db2.gz SZKMWLRFKHFHMD-QGZVFWFLSA-N 1 2 346.434 3.800 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(F)cc1OC ZINC000858162010 1136945264 /nfs/dbraw/zinc/94/52/64/1136945264.db2.gz LDZALWVKZVMRBQ-UHFFFAOYSA-N 1 2 338.810 3.880 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000858419928 1136966357 /nfs/dbraw/zinc/96/63/57/1136966357.db2.gz HCDJTCXSRYULAC-PBHICJAKSA-N 1 2 341.455 3.974 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)n1 ZINC000858444074 1136968462 /nfs/dbraw/zinc/96/84/62/1136968462.db2.gz IRULAXNRDSKQCG-SECBINFHSA-N 1 2 343.656 3.565 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858534345 1136976647 /nfs/dbraw/zinc/97/66/47/1136976647.db2.gz ZVNTZPZRPCUIKR-HXUWFJFHSA-N 1 2 341.455 3.976 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Br)c1cccnc1 ZINC000821219061 1137020753 /nfs/dbraw/zinc/02/07/53/1137020753.db2.gz DFIPWWWOCRGDBF-VIFPVBQESA-N 1 2 326.625 3.743 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(C(F)F)c2F)c1C ZINC000858927540 1136997249 /nfs/dbraw/zinc/99/72/49/1136997249.db2.gz ORAARQXCBAHJRN-UHFFFAOYSA-N 1 2 338.329 3.714 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820858964 1137006918 /nfs/dbraw/zinc/00/69/18/1137006918.db2.gz CPSGPECDKHVKIF-MISYRCLQSA-N 1 2 339.483 3.870 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccnc(F)c1 ZINC000859257845 1137009669 /nfs/dbraw/zinc/00/96/69/1137009669.db2.gz GEGHUVFYVSRFCI-OAGGEKHMSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccnc(F)c1 ZINC000859257845 1137009671 /nfs/dbraw/zinc/00/96/71/1137009671.db2.gz GEGHUVFYVSRFCI-OAGGEKHMSA-N 1 2 334.435 3.696 20 0 EHADLO Cn1nc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cc1Cl ZINC000859319038 1137011531 /nfs/dbraw/zinc/01/15/31/1137011531.db2.gz LBBDMNUFSYMYGY-UHFFFAOYSA-N 1 2 345.752 3.751 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)c2)[nH+]c1C ZINC001136399193 1137012554 /nfs/dbraw/zinc/01/25/54/1137012554.db2.gz NBDAMPXRIFQZDH-DIFFPNOSSA-N 1 2 325.412 3.637 20 0 EHADLO Fc1cccc(-c2nnc(C[NH2+][C@@H](c3ccccn3)C3CCC3)o2)c1 ZINC000859562656 1137020057 /nfs/dbraw/zinc/02/00/57/1137020057.db2.gz OHZQIICDLIOCDH-GOSISDBHSA-N 1 2 338.386 3.902 20 0 EHADLO O=C(c1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1)C(F)(F)F ZINC000859947229 1137038074 /nfs/dbraw/zinc/03/80/74/1137038074.db2.gz XEZQQMDUIXQGPE-UHFFFAOYSA-N 1 2 335.325 3.696 20 0 EHADLO O=C(c1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1)C(F)(F)F ZINC000859947229 1137038075 /nfs/dbraw/zinc/03/80/75/1137038075.db2.gz XEZQQMDUIXQGPE-UHFFFAOYSA-N 1 2 335.325 3.696 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000859955027 1137038550 /nfs/dbraw/zinc/03/85/50/1137038550.db2.gz RKGSMPMJTDRQJF-GYSYKLTISA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000859955027 1137038551 /nfs/dbraw/zinc/03/85/51/1137038551.db2.gz RKGSMPMJTDRQJF-GYSYKLTISA-N 1 2 343.254 3.552 20 0 EHADLO CCc1ccc(C2CC[NH+]([C@H](C)c3nc(N)nc(Cl)n3)CC2)cc1 ZINC000860025564 1137041147 /nfs/dbraw/zinc/04/11/47/1137041147.db2.gz BSVULZPEDFUEDF-GFCCVEGCSA-N 1 2 345.878 3.610 20 0 EHADLO C[C@H](C[N@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)OC(C)(C)C ZINC000860095731 1137044021 /nfs/dbraw/zinc/04/40/21/1137044021.db2.gz SEJYMTGHAPDXHL-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)OC(C)(C)C ZINC000860095731 1137044023 /nfs/dbraw/zinc/04/40/23/1137044023.db2.gz SEJYMTGHAPDXHL-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO Cc1ccc(NC(=O)NC2CCC3(CC3(F)F)CC2)c(N(C)C)[nH+]1 ZINC000822078030 1137048918 /nfs/dbraw/zinc/04/89/18/1137048918.db2.gz INHLFXIRNMZDRJ-UHFFFAOYSA-N 1 2 338.402 3.546 20 0 EHADLO CSC(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000822164468 1137051243 /nfs/dbraw/zinc/05/12/43/1137051243.db2.gz YGPXVNFDHRNAAM-UHFFFAOYSA-N 1 2 329.469 3.967 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)[C@@H]2C1 ZINC000822508529 1137063637 /nfs/dbraw/zinc/06/36/37/1137063637.db2.gz XPRCVJGDOSHPKH-DGCLKSJQSA-N 1 2 342.892 3.843 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(Cl)s3)[C@@H]2C1 ZINC000822508529 1137063636 /nfs/dbraw/zinc/06/36/36/1137063636.db2.gz XPRCVJGDOSHPKH-DGCLKSJQSA-N 1 2 342.892 3.843 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cc(C)ccc2F)n1 ZINC000822701886 1137071005 /nfs/dbraw/zinc/07/10/05/1137071005.db2.gz JATGXOVLYPJPAR-UHFFFAOYSA-N 1 2 335.448 3.614 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136622843 1137072170 /nfs/dbraw/zinc/07/21/70/1137072170.db2.gz UAWJGPMUZPHHDU-RHSMWYFYSA-N 1 2 327.428 3.667 20 0 EHADLO Cc1cc(NC(=O)c2ccc3ccn(C)c3c2)ccc1-n1cc[nH+]c1 ZINC001136625715 1137073349 /nfs/dbraw/zinc/07/33/49/1137073349.db2.gz VCLHMUHVMIWMTJ-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO CC1(C)[C@H](C(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC001136646819 1137079828 /nfs/dbraw/zinc/07/98/28/1137079828.db2.gz QNPKOTAGXDQYFG-MOPGFXCFSA-N 1 2 337.467 3.830 20 0 EHADLO CCOc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1F ZINC000823157319 1137087825 /nfs/dbraw/zinc/08/78/25/1137087825.db2.gz QBKWFUOEABZTIU-KRWDZBQOSA-N 1 2 339.370 3.510 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](c1ccccc1)C1CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136690870 1137091680 /nfs/dbraw/zinc/09/16/80/1137091680.db2.gz WZAASCMCJRCTCK-AABGKKOBSA-N 1 2 344.499 3.533 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](c1ccccc1)C1CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136690870 1137091681 /nfs/dbraw/zinc/09/16/81/1137091681.db2.gz WZAASCMCJRCTCK-AABGKKOBSA-N 1 2 344.499 3.533 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001137662314 1137092115 /nfs/dbraw/zinc/09/21/15/1137092115.db2.gz PVYHOTKYBSCMBR-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001137662314 1137092117 /nfs/dbraw/zinc/09/21/17/1137092117.db2.gz PVYHOTKYBSCMBR-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000823433747 1137099412 /nfs/dbraw/zinc/09/94/12/1137099412.db2.gz ZUALYNJQIQFEOC-HNNXBMFYSA-N 1 2 337.345 3.841 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000823433747 1137099413 /nfs/dbraw/zinc/09/94/13/1137099413.db2.gz ZUALYNJQIQFEOC-HNNXBMFYSA-N 1 2 337.345 3.841 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(CC)cn2)cc1 ZINC000339026668 1137105407 /nfs/dbraw/zinc/10/54/07/1137105407.db2.gz GIVMLUWTGKKVQW-INIZCTEOSA-N 1 2 339.483 3.645 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(CC)cn2)cc1 ZINC000339026668 1137105409 /nfs/dbraw/zinc/10/54/09/1137105409.db2.gz GIVMLUWTGKKVQW-INIZCTEOSA-N 1 2 339.483 3.645 20 0 EHADLO C[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccccc2O1 ZINC001136821074 1137126181 /nfs/dbraw/zinc/12/61/81/1137126181.db2.gz PULHJTVTLAYPLM-RDJZCZTQSA-N 1 2 347.418 3.746 20 0 EHADLO Fc1c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccnc1Cl ZINC000824202007 1137128118 /nfs/dbraw/zinc/12/81/18/1137128118.db2.gz CMTQBEFOXUAYHT-SFHVURJKSA-N 1 2 332.806 3.896 20 0 EHADLO Fc1c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccnc1Cl ZINC000824202007 1137128119 /nfs/dbraw/zinc/12/81/19/1137128119.db2.gz CMTQBEFOXUAYHT-SFHVURJKSA-N 1 2 332.806 3.896 20 0 EHADLO CC(C)C[C@H](C(=O)NCCC[C@H]1CC1(Cl)Cl)n1cc[nH+]c1 ZINC000824245729 1137130068 /nfs/dbraw/zinc/13/00/68/1137130068.db2.gz DZYYDBPRUJBMHG-QWHCGFSZSA-N 1 2 332.275 3.561 20 0 EHADLO Oc1cccc(N2CC[NH+](Cc3cc4c(cccc4Cl)[nH]3)CC2)c1 ZINC001136863538 1137134337 /nfs/dbraw/zinc/13/43/37/1137134337.db2.gz GSRTYKPSFBOKHZ-UHFFFAOYSA-N 1 2 341.842 3.849 20 0 EHADLO Cn1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c(Br)n1 ZINC000862246063 1137134802 /nfs/dbraw/zinc/13/48/02/1137134802.db2.gz HTCIWYHMJKHHPU-ZDUSSCGKSA-N 1 2 338.249 3.893 20 0 EHADLO Cn1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)c(Br)n1 ZINC000862246063 1137134804 /nfs/dbraw/zinc/13/48/04/1137134804.db2.gz HTCIWYHMJKHHPU-ZDUSSCGKSA-N 1 2 338.249 3.893 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000862249690 1137134981 /nfs/dbraw/zinc/13/49/81/1137134981.db2.gz ZKEUUGAICIMNSY-CQSZACIVSA-N 1 2 335.220 3.800 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000862249690 1137134983 /nfs/dbraw/zinc/13/49/83/1137134983.db2.gz ZKEUUGAICIMNSY-CQSZACIVSA-N 1 2 335.220 3.800 20 0 EHADLO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000824370432 1137135811 /nfs/dbraw/zinc/13/58/11/1137135811.db2.gz HRGFNRBMRSKFPT-LJQANCHMSA-N 1 2 332.394 3.614 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2)n1cc[nH+]c1 ZINC000824452265 1137138242 /nfs/dbraw/zinc/13/82/42/1137138242.db2.gz FXPUQYHRBPNMCG-MOPGFXCFSA-N 1 2 341.455 3.869 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2)n1cc[nH+]c1 ZINC000824452268 1137138284 /nfs/dbraw/zinc/13/82/84/1137138284.db2.gz FXPUQYHRBPNMCG-RTBURBONSA-N 1 2 341.455 3.869 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000862358877 1137140129 /nfs/dbraw/zinc/14/01/29/1137140129.db2.gz YSOZAQQOGPIGLO-LJQANCHMSA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000862358877 1137140130 /nfs/dbraw/zinc/14/01/30/1137140130.db2.gz YSOZAQQOGPIGLO-LJQANCHMSA-N 1 2 347.459 3.527 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000824513974 1137140829 /nfs/dbraw/zinc/14/08/29/1137140829.db2.gz CRVNWHHEEQBMJT-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000824513974 1137140830 /nfs/dbraw/zinc/14/08/30/1137140830.db2.gz CRVNWHHEEQBMJT-UHFFFAOYSA-N 1 2 338.860 3.618 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)ccn12 ZINC001136890592 1137141081 /nfs/dbraw/zinc/14/10/81/1137141081.db2.gz RWVJWSDDWTVMDD-AWEZNQCLSA-N 1 2 346.390 3.789 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171058117 1137141094 /nfs/dbraw/zinc/14/10/94/1137141094.db2.gz JQMPQIZMUVSPPF-GXFFZTMASA-N 1 2 330.255 3.780 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC000824575794 1137143405 /nfs/dbraw/zinc/14/34/05/1137143405.db2.gz QFKXVRGESRSZNX-UHFFFAOYSA-N 1 2 348.368 3.628 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC000824575794 1137143406 /nfs/dbraw/zinc/14/34/06/1137143406.db2.gz QFKXVRGESRSZNX-UHFFFAOYSA-N 1 2 348.368 3.628 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1ccc(Cl)cc1 ZINC000862442128 1137144826 /nfs/dbraw/zinc/14/48/26/1137144826.db2.gz XYCKFGCVJKBKEH-BETUJISGSA-N 1 2 347.871 3.933 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1)c1ccc(Cl)cc1 ZINC000862442128 1137144828 /nfs/dbraw/zinc/14/48/28/1137144828.db2.gz XYCKFGCVJKBKEH-BETUJISGSA-N 1 2 347.871 3.933 20 0 EHADLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cnn1C ZINC001136911184 1137145290 /nfs/dbraw/zinc/14/52/90/1137145290.db2.gz QGSKTCDBARMQOY-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)cnn1C ZINC001136911184 1137145292 /nfs/dbraw/zinc/14/52/92/1137145292.db2.gz QGSKTCDBARMQOY-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@H]2c2nccs2)c1C ZINC001136921291 1137147954 /nfs/dbraw/zinc/14/79/54/1137147954.db2.gz YTIOYQCCARNASL-INIZCTEOSA-N 1 2 347.484 3.531 20 0 EHADLO COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCC[C@H]2c2nccs2)c1C ZINC001136921291 1137147956 /nfs/dbraw/zinc/14/79/56/1137147956.db2.gz YTIOYQCCARNASL-INIZCTEOSA-N 1 2 347.484 3.531 20 0 EHADLO Cc1cccn2c(CN3Cc4cnc(-c5ccccc5)nc4C3)c[nH+]c12 ZINC001136966325 1137158785 /nfs/dbraw/zinc/15/87/85/1137158785.db2.gz ZPSAWATUEDDDTD-UHFFFAOYSA-N 1 2 341.418 3.616 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc2n1CCCCC2 ZINC000014307743 1137160551 /nfs/dbraw/zinc/16/05/51/1137160551.db2.gz MKURQKPYPIBNGO-INIZCTEOSA-N 1 2 328.485 3.935 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2c2ccccc2)nc2n1CCCCC2 ZINC000014307743 1137160552 /nfs/dbraw/zinc/16/05/52/1137160552.db2.gz MKURQKPYPIBNGO-INIZCTEOSA-N 1 2 328.485 3.935 20 0 EHADLO CCOCCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCc2ccccc21 ZINC000863001700 1137166547 /nfs/dbraw/zinc/16/65/47/1137166547.db2.gz FGJIKDKKJLGGSV-SFHVURJKSA-N 1 2 349.434 3.501 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cncc(Cl)c1 ZINC001136995472 1137167399 /nfs/dbraw/zinc/16/73/99/1137167399.db2.gz MXAMPAQZIXMBQR-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cncc(Cl)c1 ZINC001136995472 1137167400 /nfs/dbraw/zinc/16/74/00/1137167400.db2.gz MXAMPAQZIXMBQR-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO S=c1oc(-c2cccs2)nn1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294656 1137180141 /nfs/dbraw/zinc/18/01/41/1137180141.db2.gz AYLSEPDPDDTDHT-MNOVXSKESA-N 1 2 339.511 3.861 20 0 EHADLO S=c1oc(-c2cccs2)nn1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294656 1137180142 /nfs/dbraw/zinc/18/01/42/1137180142.db2.gz AYLSEPDPDDTDHT-MNOVXSKESA-N 1 2 339.511 3.861 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294957 1137180256 /nfs/dbraw/zinc/18/02/56/1137180256.db2.gz ITVPUTLDBIKONC-KGLIPLIRSA-N 1 2 333.482 3.800 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294957 1137180257 /nfs/dbraw/zinc/18/02/57/1137180257.db2.gz ITVPUTLDBIKONC-KGLIPLIRSA-N 1 2 333.482 3.800 20 0 EHADLO O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc2[nH+]ccn21 ZINC001143682064 1137189196 /nfs/dbraw/zinc/18/91/96/1137189196.db2.gz TWEYEIQRJJKROX-UHFFFAOYSA-N 1 2 337.276 3.673 20 0 EHADLO CSCc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001143695923 1137190086 /nfs/dbraw/zinc/19/00/86/1137190086.db2.gz CVPUXRZCMQKJDH-UHFFFAOYSA-N 1 2 339.420 3.693 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000863616374 1137194810 /nfs/dbraw/zinc/19/48/10/1137194810.db2.gz JCKHLZJWNWXMHQ-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO Cc1ccc(F)c(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1 ZINC000863670948 1137198321 /nfs/dbraw/zinc/19/83/21/1137198321.db2.gz QQGIWNBUFPPARQ-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C3(c4cccc(C)c4)CC3)no2)c1 ZINC000863675275 1137198619 /nfs/dbraw/zinc/19/86/19/1137198619.db2.gz QXVPQSWEXRKMKI-QGZVFWFLSA-N 1 2 335.407 3.515 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001143791064 1137199937 /nfs/dbraw/zinc/19/99/37/1137199937.db2.gz DMKREUYXPZIMAH-JTQLQIEISA-N 1 2 339.329 3.754 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1csc2ccccc21 ZINC000844132286 1137200373 /nfs/dbraw/zinc/20/03/73/1137200373.db2.gz FVJMKMRGZUYCNQ-STQMWFEESA-N 1 2 325.437 3.538 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)[C@@H]1C ZINC001143860534 1137204954 /nfs/dbraw/zinc/20/49/54/1137204954.db2.gz QCXSQYJLEYFGGA-NXEZZACHSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)[C@@H]1C ZINC001143860534 1137204956 /nfs/dbraw/zinc/20/49/56/1137204956.db2.gz QCXSQYJLEYFGGA-NXEZZACHSA-N 1 2 334.218 3.906 20 0 EHADLO COCC[N@H+](Cc1cccnc1)Cc1cc2ccccc2c(Cl)n1 ZINC000794567768 1137205873 /nfs/dbraw/zinc/20/58/73/1137205873.db2.gz NMUAHPGJMVFTJF-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO COCC[N@@H+](Cc1cccnc1)Cc1cc2ccccc2c(Cl)n1 ZINC000794567768 1137205874 /nfs/dbraw/zinc/20/58/74/1137205874.db2.gz NMUAHPGJMVFTJF-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)Cc2ccc(C)c(C)c2)[nH+]1 ZINC000844264123 1137207039 /nfs/dbraw/zinc/20/70/39/1137207039.db2.gz FDZWXAXPNVGDCK-UHFFFAOYSA-N 1 2 341.451 3.742 20 0 EHADLO Cc1nnsc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000844302281 1137210452 /nfs/dbraw/zinc/21/04/52/1137210452.db2.gz HDFLLGGRZWVECZ-INIZCTEOSA-N 1 2 345.493 3.644 20 0 EHADLO Cc1nnsc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000844302281 1137210454 /nfs/dbraw/zinc/21/04/54/1137210454.db2.gz HDFLLGGRZWVECZ-INIZCTEOSA-N 1 2 345.493 3.644 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCC(c3nc(C)no3)CC2)c1F ZINC001143897496 1137210986 /nfs/dbraw/zinc/21/09/86/1137210986.db2.gz GAEXNVLPENZMSU-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(F)c1F)CCC2 ZINC001143917221 1137214794 /nfs/dbraw/zinc/21/47/94/1137214794.db2.gz XKDKRAOHMGRCPZ-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(F)c1F)CCC2 ZINC001143917221 1137214795 /nfs/dbraw/zinc/21/47/95/1137214795.db2.gz XKDKRAOHMGRCPZ-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)n1cc[nH+]c1 ZINC000844379584 1137218326 /nfs/dbraw/zinc/21/83/26/1137218326.db2.gz VJHCPXXRFIXVKZ-CYBMUJFWSA-N 1 2 332.835 3.727 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794640402 1137220805 /nfs/dbraw/zinc/22/08/05/1137220805.db2.gz QBDNRNCFQHSHTG-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794640402 1137220806 /nfs/dbraw/zinc/22/08/06/1137220806.db2.gz QBDNRNCFQHSHTG-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844457906 1137221704 /nfs/dbraw/zinc/22/17/04/1137221704.db2.gz MBTSSUQEVRNZDC-DTORHVGOSA-N 1 2 328.334 3.785 20 0 EHADLO Fc1cccc(F)c1-c1csc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844457906 1137221705 /nfs/dbraw/zinc/22/17/05/1137221705.db2.gz MBTSSUQEVRNZDC-DTORHVGOSA-N 1 2 328.334 3.785 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000794669729 1137222830 /nfs/dbraw/zinc/22/28/30/1137222830.db2.gz TXTMTZIGZLVKOI-HONMWMINSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000794669729 1137222831 /nfs/dbraw/zinc/22/28/31/1137222831.db2.gz TXTMTZIGZLVKOI-HONMWMINSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439188 1137223160 /nfs/dbraw/zinc/22/31/60/1137223160.db2.gz OMHJSMASCQUTOO-BMIGLBTASA-N 1 2 346.780 3.927 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439188 1137223161 /nfs/dbraw/zinc/22/31/61/1137223161.db2.gz OMHJSMASCQUTOO-BMIGLBTASA-N 1 2 346.780 3.927 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440487 1137223733 /nfs/dbraw/zinc/22/37/33/1137223733.db2.gz UAYVDVGSHLYAKA-GOEBONIOSA-N 1 2 340.801 3.567 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440487 1137223735 /nfs/dbraw/zinc/22/37/35/1137223735.db2.gz UAYVDVGSHLYAKA-GOEBONIOSA-N 1 2 340.801 3.567 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844482610 1137225584 /nfs/dbraw/zinc/22/55/84/1137225584.db2.gz ZUWXEOUVKOYLNU-IEZWGBDMSA-N 1 2 342.439 3.797 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1ccncc1 ZINC000794682664 1137226106 /nfs/dbraw/zinc/22/61/06/1137226106.db2.gz BHENCBBSIMCXKR-OAHLLOKOSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1ccncc1 ZINC000794682664 1137226108 /nfs/dbraw/zinc/22/61/08/1137226108.db2.gz BHENCBBSIMCXKR-OAHLLOKOSA-N 1 2 345.516 3.964 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794705528 1137238547 /nfs/dbraw/zinc/23/85/47/1137238547.db2.gz KDJNEMQKLPJXAL-ZDUSSCGKSA-N 1 2 334.489 3.927 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794705528 1137238549 /nfs/dbraw/zinc/23/85/49/1137238549.db2.gz KDJNEMQKLPJXAL-ZDUSSCGKSA-N 1 2 334.489 3.927 20 0 EHADLO FC1(F)C[C@@]12CCC[N@H+](Cn1nc(-c3ccccc3)oc1=S)C2 ZINC000844745275 1137249182 /nfs/dbraw/zinc/24/91/82/1137249182.db2.gz AKRXJAWVLNHHES-OAHLLOKOSA-N 1 2 337.395 3.951 20 0 EHADLO FC1(F)C[C@@]12CCC[N@@H+](Cn1nc(-c3ccccc3)oc1=S)C2 ZINC000844745275 1137249183 /nfs/dbraw/zinc/24/91/83/1137249183.db2.gz AKRXJAWVLNHHES-OAHLLOKOSA-N 1 2 337.395 3.951 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844746068 1137249433 /nfs/dbraw/zinc/24/94/33/1137249433.db2.gz IIYUYBSPIFOGCT-GOSISDBHSA-N 1 2 328.362 3.879 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844746068 1137249435 /nfs/dbraw/zinc/24/94/35/1137249435.db2.gz IIYUYBSPIFOGCT-GOSISDBHSA-N 1 2 328.362 3.879 20 0 EHADLO O=C(c1ccccc1F)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000125175070 1137251955 /nfs/dbraw/zinc/25/19/55/1137251955.db2.gz ZUJOKSASMFIHJS-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO COC1(c2ccccc2)CC[NH+](Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144202247 1137253470 /nfs/dbraw/zinc/25/34/70/1137253470.db2.gz KHWLQASINXPYNU-UHFFFAOYSA-N 1 2 339.414 3.840 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnn3CC3CCC3)c2)[nH+]c1C ZINC000864988748 1137256713 /nfs/dbraw/zinc/25/67/13/1137256713.db2.gz FCGORNJXYAECPG-UHFFFAOYSA-N 1 2 349.438 3.942 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158735 1137265944 /nfs/dbraw/zinc/26/59/44/1137265944.db2.gz MNHJYHGWMCXLSK-DFSFMLJYSA-N 1 2 349.356 3.693 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865160170 1137266217 /nfs/dbraw/zinc/26/62/17/1137266217.db2.gz XPISQDDTEKMJEE-OAHLLOKOSA-N 1 2 334.423 3.719 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000865175425 1137266969 /nfs/dbraw/zinc/26/69/69/1137266969.db2.gz FXJQSUJXYZXTHR-INIZCTEOSA-N 1 2 343.446 3.798 20 0 EHADLO O=C(c1ccc(CNc2c[nH+]cc3c2CCCC3)cc1)N1CCCC1 ZINC000865293852 1137274979 /nfs/dbraw/zinc/27/49/79/1137274979.db2.gz YSEYYTUUQSVORZ-UHFFFAOYSA-N 1 2 335.451 3.809 20 0 EHADLO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000865398039 1137279930 /nfs/dbraw/zinc/27/99/30/1137279930.db2.gz PRKKJKYOHTZAFZ-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO Cc1cc([C@H]([NH2+]Cc2cccnc2F)c2cccnc2)ccc1F ZINC000794837735 1137280710 /nfs/dbraw/zinc/28/07/10/1137280710.db2.gz VMFYDSRUVZEIMP-SFHVURJKSA-N 1 2 325.362 3.942 20 0 EHADLO CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845283135 1137283533 /nfs/dbraw/zinc/28/35/33/1137283533.db2.gz TXNYTDFUYORMEQ-HUUCEWRRSA-N 1 2 328.412 3.772 20 0 EHADLO Cc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)c(Br)c1 ZINC000845284305 1137283589 /nfs/dbraw/zinc/28/35/89/1137283589.db2.gz ASGUQHKDTYDQRU-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO C[C@H](CC(=O)OCCc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000845285824 1137283687 /nfs/dbraw/zinc/28/36/87/1137283687.db2.gz KVXRTJMZCKFAAO-LLVKDONJSA-N 1 2 327.211 3.927 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000845286614 1137283876 /nfs/dbraw/zinc/28/38/76/1137283876.db2.gz QUVGACUWKRJHSS-RYUDHWBXSA-N 1 2 337.217 3.901 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1F ZINC000845438436 1137292281 /nfs/dbraw/zinc/29/22/81/1137292281.db2.gz JNZZNYQZFNDNMD-PBHICJAKSA-N 1 2 344.434 3.600 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@]12C[C@H]1CCCC2 ZINC000865570022 1137295959 /nfs/dbraw/zinc/29/59/59/1137295959.db2.gz ZOKNKTZEZZMPKE-YLJYHZDGSA-N 1 2 327.472 3.659 20 0 EHADLO CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845511145 1137297567 /nfs/dbraw/zinc/29/75/67/1137297567.db2.gz QPRLYVUHFFFZMH-JKSUJKDBSA-N 1 2 336.501 3.758 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cc2ccccc2s1 ZINC000845585168 1137299827 /nfs/dbraw/zinc/29/98/27/1137299827.db2.gz ZULDVCWCXCENED-UHFFFAOYSA-N 1 2 326.421 3.720 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865630857 1137300308 /nfs/dbraw/zinc/30/03/08/1137300308.db2.gz UXQMUAHYXJNACA-UHFFFAOYSA-N 1 2 325.243 3.679 20 0 EHADLO Cc1nc(N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c(C)c(C)[nH+]1 ZINC000845628209 1137301725 /nfs/dbraw/zinc/30/17/25/1137301725.db2.gz WGMSJMMILXOCJB-SFHVURJKSA-N 1 2 331.847 3.543 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C/C2CCCCCC2)CC1 ZINC000845651982 1137303610 /nfs/dbraw/zinc/30/36/10/1137303610.db2.gz KHOZPDCTJBVVIG-CMDGGOBGSA-N 1 2 328.447 3.701 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C/C2CCCCCC2)CC1 ZINC000845651982 1137303612 /nfs/dbraw/zinc/30/36/12/1137303612.db2.gz KHOZPDCTJBVVIG-CMDGGOBGSA-N 1 2 328.447 3.701 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccn1C(F)F)c1cccc(OC)c1OC ZINC000865758514 1137308926 /nfs/dbraw/zinc/30/89/26/1137308926.db2.gz JNWMGXQJLFTUPG-GFCCVEGCSA-N 1 2 325.359 3.536 20 0 EHADLO COc1ccc(C2=CC[N@H+](Cc3c(F)cc(O)cc3F)CC2)cc1 ZINC001144561955 1137310308 /nfs/dbraw/zinc/31/03/08/1137310308.db2.gz RAINUGILWSISNW-UHFFFAOYSA-N 1 2 331.362 3.968 20 0 EHADLO COc1ccc(C2=CC[N@@H+](Cc3c(F)cc(O)cc3F)CC2)cc1 ZINC001144561955 1137310309 /nfs/dbraw/zinc/31/03/09/1137310309.db2.gz RAINUGILWSISNW-UHFFFAOYSA-N 1 2 331.362 3.968 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000120771561 1137316919 /nfs/dbraw/zinc/31/69/19/1137316919.db2.gz XJTHVPGKQAZDNN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000120771561 1137316921 /nfs/dbraw/zinc/31/69/21/1137316921.db2.gz XJTHVPGKQAZDNN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)N2c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865963579 1137322493 /nfs/dbraw/zinc/32/24/93/1137322493.db2.gz TZQSAEOKECPRFB-GASCZTMLSA-N 1 2 330.382 3.855 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)N2c1cc(NCc2ccccc2)nc[nH+]1 ZINC000865963579 1137322495 /nfs/dbraw/zinc/32/24/95/1137322495.db2.gz TZQSAEOKECPRFB-GASCZTMLSA-N 1 2 330.382 3.855 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc(Br)cnc13)C2 ZINC001144701001 1137331681 /nfs/dbraw/zinc/33/16/81/1137331681.db2.gz RKIXMEKPLFLTEZ-UHFFFAOYSA-N 1 2 346.203 3.980 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc(Br)cnc13)C2 ZINC001144701001 1137331682 /nfs/dbraw/zinc/33/16/82/1137331682.db2.gz RKIXMEKPLFLTEZ-UHFFFAOYSA-N 1 2 346.203 3.980 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)OCCO2 ZINC000866215569 1137335784 /nfs/dbraw/zinc/33/57/84/1137335784.db2.gz KHPOMIAMEHDCQW-IOHHAYIISA-N 1 2 329.371 3.580 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)n1 ZINC001144732088 1137339620 /nfs/dbraw/zinc/33/96/20/1137339620.db2.gz LJXKBMIVQCAZKK-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)n1 ZINC001144732088 1137339621 /nfs/dbraw/zinc/33/96/21/1137339621.db2.gz LJXKBMIVQCAZKK-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc([S@@](C)=O)cc1 ZINC000866310324 1137344250 /nfs/dbraw/zinc/34/42/50/1137344250.db2.gz MQIIJGRYSIDBRV-JNMXPTOASA-N 1 2 333.428 3.546 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccc(Oc2ccccc2F)c1 ZINC001144787132 1137348516 /nfs/dbraw/zinc/34/85/16/1137348516.db2.gz HOROZYUKSKIVQR-UHFFFAOYSA-N 1 2 339.370 3.590 20 0 EHADLO Fc1cccc2c1CCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000866374282 1137350377 /nfs/dbraw/zinc/35/03/77/1137350377.db2.gz BKWMZAFIHDDFOB-CYBMUJFWSA-N 1 2 325.309 3.802 20 0 EHADLO c1cc2cccc3c2c(c1)CC[C@@H]3[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000866384940 1137350774 /nfs/dbraw/zinc/35/07/74/1137350774.db2.gz PQJTZSSBGJHNPK-DLBZAZTESA-N 1 2 334.423 3.587 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(Cl)cs1 ZINC000846655007 1137360569 /nfs/dbraw/zinc/36/05/69/1137360569.db2.gz NGUQCQQKFNHJAG-JOCQHMNTSA-N 1 2 335.860 3.950 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(F)=C3CCCC3)CC2)c1 ZINC001144921918 1137363024 /nfs/dbraw/zinc/36/30/24/1137363024.db2.gz OBVKIBWSFPSLCL-HNNXBMFYSA-N 1 2 346.446 3.698 20 0 EHADLO C/C(=C\c1ccco1)C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000846767261 1137364228 /nfs/dbraw/zinc/36/42/28/1137364228.db2.gz PTDAFSOVIXVOPR-CCEZHUSRSA-N 1 2 329.396 3.579 20 0 EHADLO CC1([N@H+](Cc2cnsn2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000846824532 1137366775 /nfs/dbraw/zinc/36/67/75/1137366775.db2.gz CCGURJMOFDRXKR-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO CC1([N@@H+](Cc2cnsn2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000846824532 1137366776 /nfs/dbraw/zinc/36/67/76/1137366776.db2.gz CCGURJMOFDRXKR-UHFFFAOYSA-N 1 2 331.441 3.602 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cnc1Cl ZINC000846862249 1137370085 /nfs/dbraw/zinc/37/00/85/1137370085.db2.gz PTDMEXARCXPEAT-GOSISDBHSA-N 1 2 332.806 3.896 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cnc1Cl ZINC000846862249 1137370087 /nfs/dbraw/zinc/37/00/87/1137370087.db2.gz PTDMEXARCXPEAT-GOSISDBHSA-N 1 2 332.806 3.896 20 0 EHADLO CCOC(C[N@H+](CC)Cc1nc(-c2ccccc2)oc1C)OCC ZINC000846971971 1137377891 /nfs/dbraw/zinc/37/78/91/1137377891.db2.gz XDJVQUSVHBSSEE-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1nc(-c2ccccc2)oc1C)OCC ZINC000846971971 1137377893 /nfs/dbraw/zinc/37/78/93/1137377893.db2.gz XDJVQUSVHBSSEE-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000846999538 1137381080 /nfs/dbraw/zinc/38/10/80/1137381080.db2.gz PLNVYBFZJIKLMZ-FYWRMAATSA-N 1 2 339.439 3.622 20 0 EHADLO Oc1cccc(C[N@@H+](C/C(Cl)=C\Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000847001581 1137381428 /nfs/dbraw/zinc/38/14/28/1137381428.db2.gz PWSGBCCUYPAJBP-MDFLHDAVSA-N 1 2 330.255 3.817 20 0 EHADLO Oc1cccc(C[N@H+](C/C(Cl)=C\Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000847001581 1137381430 /nfs/dbraw/zinc/38/14/30/1137381430.db2.gz PWSGBCCUYPAJBP-MDFLHDAVSA-N 1 2 330.255 3.817 20 0 EHADLO CCCCC[C@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000847007837 1137382440 /nfs/dbraw/zinc/38/24/40/1137382440.db2.gz JTKMYLZFALVTGW-SFHVURJKSA-N 1 2 341.455 3.766 20 0 EHADLO O=C(CC1(O)CCCC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000847008347 1137382461 /nfs/dbraw/zinc/38/24/61/1137382461.db2.gz MNLVAOQPBMIVKN-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001146709908 1137393354 /nfs/dbraw/zinc/39/33/54/1137393354.db2.gz LVOWWNHUNJODJH-UZLBHIALSA-N 1 2 325.456 3.602 20 0 EHADLO CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001146709908 1137393355 /nfs/dbraw/zinc/39/33/55/1137393355.db2.gz LVOWWNHUNJODJH-UZLBHIALSA-N 1 2 325.456 3.602 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C3(CC)CCCC3)CC2)s1 ZINC001147257039 1137402993 /nfs/dbraw/zinc/40/29/93/1137402993.db2.gz TUUOZXDBJFIMMD-UHFFFAOYSA-N 1 2 334.529 3.925 20 0 EHADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000868698103 1137420012 /nfs/dbraw/zinc/42/00/12/1137420012.db2.gz FRHKYXZUOMMETP-BPQIPLTHSA-N 1 2 343.858 3.551 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C(C)C)cc2)CC1 ZINC001148318768 1137423007 /nfs/dbraw/zinc/42/30/07/1137423007.db2.gz WRJONIVXFCCKRZ-UHFFFAOYSA-N 1 2 337.467 3.893 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122288167 1137423502 /nfs/dbraw/zinc/42/35/02/1137423502.db2.gz GGMOKIOGEZVKLY-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122288167 1137423504 /nfs/dbraw/zinc/42/35/04/1137423504.db2.gz GGMOKIOGEZVKLY-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccccc1 ZINC001148724042 1137432060 /nfs/dbraw/zinc/43/20/60/1137432060.db2.gz MAFMBNMNNSIJIP-DLBZAZTESA-N 1 2 333.435 3.723 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001148722567 1137432066 /nfs/dbraw/zinc/43/20/66/1137432066.db2.gz DKULTBSEXABQTL-MRXNPFEDSA-N 1 2 348.368 3.541 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001148722567 1137432067 /nfs/dbraw/zinc/43/20/67/1137432067.db2.gz DKULTBSEXABQTL-MRXNPFEDSA-N 1 2 348.368 3.541 20 0 EHADLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1C(F)(F)F ZINC001148743382 1137432978 /nfs/dbraw/zinc/43/29/78/1137432978.db2.gz DBPNOGOZDIBXIH-UHFFFAOYSA-N 1 2 337.345 3.688 20 0 EHADLO Cc1c(F)c(C)c(F)c(C(=O)NCc2c[nH+]cn2C2CCC2)c1F ZINC001148763489 1137434377 /nfs/dbraw/zinc/43/43/77/1137434377.db2.gz PCPRKOGEOQPVLW-UHFFFAOYSA-N 1 2 337.345 3.572 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1Cl ZINC000712474694 1137468187 /nfs/dbraw/zinc/46/81/87/1137468187.db2.gz AFHYFMUBCNWMBB-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO Cc1nc2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)ccc2o1 ZINC000348158188 1137447023 /nfs/dbraw/zinc/44/70/23/1137447023.db2.gz KFHWPUVCNPEPHF-UHFFFAOYSA-N 1 2 336.326 3.713 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccc(F)c(F)c1 ZINC000282782356 1137450604 /nfs/dbraw/zinc/45/06/04/1137450604.db2.gz PRBWLNNTGSBIDD-HNNXBMFYSA-N 1 2 326.774 3.799 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C/c1ccccc1C(F)(F)F ZINC000870303959 1137486699 /nfs/dbraw/zinc/48/66/99/1137486699.db2.gz DAPAVSWJUUARCU-CMDGGOBGSA-N 1 2 338.329 3.628 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(F)cc1F ZINC000145101467 1137488146 /nfs/dbraw/zinc/48/81/46/1137488146.db2.gz UPMJTUWPAWGKCQ-AWEZNQCLSA-N 1 2 338.427 3.563 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504363 1137494676 /nfs/dbraw/zinc/49/46/76/1137494676.db2.gz ATAWWVPTCIURQW-IUODEOHRSA-N 1 2 343.389 3.529 20 0 EHADLO CC(C)(Nc1c(Br)ccc2[nH+]ccn21)c1ccncc1 ZINC001171519174 1137495881 /nfs/dbraw/zinc/49/58/81/1137495881.db2.gz PIARWHPUUPSMTI-UHFFFAOYSA-N 1 2 331.217 3.839 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171553922 1137497635 /nfs/dbraw/zinc/49/76/35/1137497635.db2.gz WUVJXUCNFNFUBF-PZJWPPBQSA-N 1 2 337.463 3.616 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601828 1137500180 /nfs/dbraw/zinc/50/01/80/1137500180.db2.gz MFOHHJBOHOEMNF-XQLPTFJDSA-N 1 2 346.462 3.792 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601828 1137500181 /nfs/dbraw/zinc/50/01/81/1137500181.db2.gz MFOHHJBOHOEMNF-XQLPTFJDSA-N 1 2 346.462 3.792 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](CCc1c(F)cccc1F)CC1CC1 ZINC001171756579 1137508314 /nfs/dbraw/zinc/50/83/14/1137508314.db2.gz ONMQWXNEWGIWOI-UHFFFAOYSA-N 1 2 325.399 3.561 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](CCc1c(F)cccc1F)CC1CC1 ZINC001171756579 1137508316 /nfs/dbraw/zinc/50/83/16/1137508316.db2.gz ONMQWXNEWGIWOI-UHFFFAOYSA-N 1 2 325.399 3.561 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCc3ccc(C)cc3C2)c1 ZINC001171815010 1137514870 /nfs/dbraw/zinc/51/48/70/1137514870.db2.gz BFLDGTPQMKBBMI-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCc3ccc(C)cc3C2)c1 ZINC001171815010 1137514871 /nfs/dbraw/zinc/51/48/71/1137514871.db2.gz BFLDGTPQMKBBMI-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001171962712 1137520110 /nfs/dbraw/zinc/52/01/10/1137520110.db2.gz CMCQQACJSJTWMI-LLVKDONJSA-N 1 2 335.316 3.746 20 0 EHADLO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1ccncc1 ZINC001204081503 1137529671 /nfs/dbraw/zinc/52/96/71/1137529671.db2.gz QJFWVGAZAZLICP-IBGZPJMESA-N 1 2 326.440 3.672 20 0 EHADLO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1ccncc1 ZINC001204081503 1137529672 /nfs/dbraw/zinc/52/96/72/1137529672.db2.gz QJFWVGAZAZLICP-IBGZPJMESA-N 1 2 326.440 3.672 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC(F)(F)C1)C2 ZINC001172091954 1137532014 /nfs/dbraw/zinc/53/20/14/1137532014.db2.gz NCYGOKFMTSNQMQ-WDNDVIMCSA-N 1 2 330.419 3.648 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)C1)C2 ZINC001172091954 1137532015 /nfs/dbraw/zinc/53/20/15/1137532015.db2.gz NCYGOKFMTSNQMQ-WDNDVIMCSA-N 1 2 330.419 3.648 20 0 EHADLO CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172326745 1137547607 /nfs/dbraw/zinc/54/76/07/1137547607.db2.gz BSPJEWJEAHGJBO-DLBZAZTESA-N 1 2 333.472 3.836 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](c1nnc(C)o1)c1ccccc1OC ZINC001172352146 1137553722 /nfs/dbraw/zinc/55/37/22/1137553722.db2.gz QCVGLMGPQNBOGP-GLJUWKHASA-N 1 2 347.459 3.659 20 0 EHADLO Cc1cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)o1 ZINC000123762323 1137557479 /nfs/dbraw/zinc/55/74/79/1137557479.db2.gz HDMRLWNSJZPZAH-RTBURBONSA-N 1 2 348.874 3.711 20 0 EHADLO Cc1cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)o1 ZINC000123762323 1137557480 /nfs/dbraw/zinc/55/74/80/1137557480.db2.gz HDMRLWNSJZPZAH-RTBURBONSA-N 1 2 348.874 3.711 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1nnc(-c2nc3ccccc3s2)o1 ZINC000871866279 1137561442 /nfs/dbraw/zinc/56/14/42/1137561442.db2.gz QVDGUYRTGSBEEN-UHFFFAOYSA-N 1 2 340.412 3.736 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC2(CCC2)C1 ZINC000888591982 1137564342 /nfs/dbraw/zinc/56/43/42/1137564342.db2.gz MLEGQUJKAHULPF-ZDUSSCGKSA-N 1 2 345.830 3.814 20 0 EHADLO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1F ZINC000872025239 1137565764 /nfs/dbraw/zinc/56/57/64/1137565764.db2.gz IUSNFIMXZCBAJT-YOEHRIQHSA-N 1 2 342.414 3.546 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cc(O)ccc2F)c1 ZINC000872041921 1137567241 /nfs/dbraw/zinc/56/72/41/1137567241.db2.gz LRYKMBVRQXHTLT-SNVBAGLBSA-N 1 2 341.329 3.992 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)CCO1 ZINC000872060324 1137568926 /nfs/dbraw/zinc/56/89/26/1137568926.db2.gz PPHKXZSHBJNKIH-SJLPKXTDSA-N 1 2 330.472 3.815 20 0 EHADLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cccc(O)c1F ZINC000872082819 1137570279 /nfs/dbraw/zinc/57/02/79/1137570279.db2.gz BMEUCMGAXNJPBP-WMLDXEAASA-N 1 2 339.414 3.899 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000872321168 1137578368 /nfs/dbraw/zinc/57/83/68/1137578368.db2.gz HPVZWEMHPXFGRL-FPLPWBNLSA-N 1 2 341.842 3.665 20 0 EHADLO CC(C)c1cc(N2CCO[C@@H](C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000872749571 1137583710 /nfs/dbraw/zinc/58/37/10/1137583710.db2.gz JJQOCUVDOFKIHW-CYBMUJFWSA-N 1 2 331.382 3.881 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cccc(Cl)c2Br)o1 ZINC000873128890 1137590787 /nfs/dbraw/zinc/59/07/87/1137590787.db2.gz BEEZXWGILCIYBX-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2C(F)F)c1C ZINC000874250229 1137612144 /nfs/dbraw/zinc/61/21/44/1137612144.db2.gz KIXKADGHLXMFPK-UHFFFAOYSA-N 1 2 340.395 3.978 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874604396 1137618912 /nfs/dbraw/zinc/61/89/12/1137618912.db2.gz USXMHHLZGMGBLZ-OAGGEKHMSA-N 1 2 343.858 3.961 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874604396 1137618913 /nfs/dbraw/zinc/61/89/13/1137618913.db2.gz USXMHHLZGMGBLZ-OAGGEKHMSA-N 1 2 343.858 3.961 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C(F)(F)F ZINC000876083125 1137643897 /nfs/dbraw/zinc/64/38/97/1137643897.db2.gz YSLMVSISRREUFY-UHFFFAOYSA-N 1 2 346.397 3.598 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C1CC1 ZINC000876208721 1137646091 /nfs/dbraw/zinc/64/60/91/1137646091.db2.gz UKWFDKYQEFJBBK-KDOFPFPSSA-N 1 2 339.439 3.701 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C1CC1 ZINC000876208721 1137646092 /nfs/dbraw/zinc/64/60/92/1137646092.db2.gz UKWFDKYQEFJBBK-KDOFPFPSSA-N 1 2 339.439 3.701 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(OC)cnc1F)CCC2 ZINC000876778764 1137661206 /nfs/dbraw/zinc/66/12/06/1137661206.db2.gz NWCPZLNAPPYXGV-AWEZNQCLSA-N 1 2 335.448 3.758 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(OC)cnc1F)CCC2 ZINC000876778764 1137661207 /nfs/dbraw/zinc/66/12/07/1137661207.db2.gz NWCPZLNAPPYXGV-AWEZNQCLSA-N 1 2 335.448 3.758 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCOC[C@H]3C)cc2)c1C ZINC000876866237 1137664128 /nfs/dbraw/zinc/66/41/28/1137664128.db2.gz RROPIFYDQNGDPB-OAHLLOKOSA-N 1 2 341.455 3.544 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(N3CCOC3=O)c2C)c1C ZINC000876868486 1137664336 /nfs/dbraw/zinc/66/43/36/1137664336.db2.gz FFPXEBVPPQEVGT-UHFFFAOYSA-N 1 2 341.411 3.584 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)C1 ZINC000126301199 1137667937 /nfs/dbraw/zinc/66/79/37/1137667937.db2.gz FGCJYCIBDXKAKC-DZGCQCFKSA-N 1 2 335.517 3.621 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)C1 ZINC000126301199 1137667938 /nfs/dbraw/zinc/66/79/38/1137667938.db2.gz FGCJYCIBDXKAKC-DZGCQCFKSA-N 1 2 335.517 3.621 20 0 EHADLO Cc1ccncc1N1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877496978 1137678498 /nfs/dbraw/zinc/67/84/98/1137678498.db2.gz AOLORDZJSINEPQ-UHFFFAOYSA-N 1 2 342.830 3.507 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1Br ZINC000877523961 1137679584 /nfs/dbraw/zinc/67/95/84/1137679584.db2.gz OLPBOUICUODVLT-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1Br ZINC000877523961 1137679585 /nfs/dbraw/zinc/67/95/85/1137679585.db2.gz OLPBOUICUODVLT-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C)c(C[NH2+]Cc2nc(Cl)ccc2Br)cn1 ZINC000877575039 1137681721 /nfs/dbraw/zinc/68/17/21/1137681721.db2.gz DLRWXNYWSPZALK-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO FC(F)(F)c1cccc(CC2C[NH+](Cc3ccc(Cl)nn3)C2)c1 ZINC000877579306 1137681929 /nfs/dbraw/zinc/68/19/29/1137681929.db2.gz XISWGMVFOSMLTC-UHFFFAOYSA-N 1 2 341.764 3.823 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2cc(C)ccc2Br)c1 ZINC000877588956 1137682155 /nfs/dbraw/zinc/68/21/55/1137682155.db2.gz CWSXLXUZVJOTFD-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cccnc2Br)CC2CC2)cn1 ZINC000877604641 1137682634 /nfs/dbraw/zinc/68/26/34/1137682634.db2.gz DWPUOEPEDVSTSI-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cccnc2Br)CC2CC2)cn1 ZINC000877604641 1137682635 /nfs/dbraw/zinc/68/26/35/1137682635.db2.gz DWPUOEPEDVSTSI-UHFFFAOYSA-N 1 2 346.272 3.960 20 0 EHADLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000877829643 1137692602 /nfs/dbraw/zinc/69/26/02/1137692602.db2.gz ZAPQJWBSJFGYMH-JTQLQIEISA-N 1 2 347.789 3.572 20 0 EHADLO CC(C)(C)[C@@H]1C[C@]2(CCO1)[NH2+]C(C)(C)C(=O)N2CC1CCCCC1 ZINC000877856985 1137693522 /nfs/dbraw/zinc/69/35/22/1137693522.db2.gz JLGPQDRHFPJTRH-OXJNMPFZSA-N 1 2 336.520 3.699 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826003791 1137694824 /nfs/dbraw/zinc/69/48/24/1137694824.db2.gz WGBKHRRWZRHBAA-LLVKDONJSA-N 1 2 346.843 3.624 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878132621 1137703887 /nfs/dbraw/zinc/70/38/87/1137703887.db2.gz AINUPODRYYHWTH-INIZCTEOSA-N 1 2 334.414 3.551 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878132621 1137703888 /nfs/dbraw/zinc/70/38/88/1137703888.db2.gz AINUPODRYYHWTH-INIZCTEOSA-N 1 2 334.414 3.551 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000126951593 1137705543 /nfs/dbraw/zinc/70/55/43/1137705543.db2.gz PNQDVEIPELUETQ-CYBMUJFWSA-N 1 2 338.373 3.620 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000126951593 1137705544 /nfs/dbraw/zinc/70/55/44/1137705544.db2.gz PNQDVEIPELUETQ-CYBMUJFWSA-N 1 2 338.373 3.620 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1F ZINC000878174489 1137705833 /nfs/dbraw/zinc/70/58/33/1137705833.db2.gz PYEMCFADCRUZDF-CJNGLKHVSA-N 1 2 333.428 3.658 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1F ZINC000878174489 1137705834 /nfs/dbraw/zinc/70/58/34/1137705834.db2.gz PYEMCFADCRUZDF-CJNGLKHVSA-N 1 2 333.428 3.658 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)cs2)n1 ZINC000878362475 1137712702 /nfs/dbraw/zinc/71/27/02/1137712702.db2.gz AARPCPNHMDTMNJ-UHFFFAOYSA-N 1 2 344.871 3.976 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC000878368626 1137713070 /nfs/dbraw/zinc/71/30/70/1137713070.db2.gz LWZARBXBAMTGIP-BTYIYWSLSA-N 1 2 343.279 3.598 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392989 1137713972 /nfs/dbraw/zinc/71/39/72/1137713972.db2.gz TYZITSISKJWMCB-CMPLNLGQSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392989 1137713973 /nfs/dbraw/zinc/71/39/73/1137713973.db2.gz TYZITSISKJWMCB-CMPLNLGQSA-N 1 2 341.333 3.605 20 0 EHADLO CC(C)(C(=O)N1CCc2cc(-c3ccccc3)oc2C1)c1c[nH+]c[nH]1 ZINC001137134833 1137721261 /nfs/dbraw/zinc/72/12/61/1137721261.db2.gz LXQCAIVCHDMJHE-UHFFFAOYSA-N 1 2 335.407 3.532 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000878619341 1137722522 /nfs/dbraw/zinc/72/25/22/1137722522.db2.gz WXSQCGTZLAKWJF-GOEBONIOSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000878619341 1137722523 /nfs/dbraw/zinc/72/25/23/1137722523.db2.gz WXSQCGTZLAKWJF-GOEBONIOSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000878619342 1137722611 /nfs/dbraw/zinc/72/26/11/1137722611.db2.gz WXSQCGTZLAKWJF-HOCLYGCPSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000878619342 1137722612 /nfs/dbraw/zinc/72/26/12/1137722612.db2.gz WXSQCGTZLAKWJF-HOCLYGCPSA-N 1 2 346.519 3.906 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1c1ccccc1 ZINC000878665945 1137724251 /nfs/dbraw/zinc/72/42/51/1137724251.db2.gz NMSQYOCOXITJOO-CVEARBPZSA-N 1 2 343.320 3.598 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1c1ccccc1 ZINC000878665945 1137724252 /nfs/dbraw/zinc/72/42/52/1137724252.db2.gz NMSQYOCOXITJOO-CVEARBPZSA-N 1 2 343.320 3.598 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]3c3ncccn3)c2cc1C ZINC000878975161 1137734111 /nfs/dbraw/zinc/73/41/11/1137734111.db2.gz ACAAPQDDJPIZOU-KRWDZBQOSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3ncccn3)c2cc1C ZINC000878975161 1137734112 /nfs/dbraw/zinc/73/41/12/1137734112.db2.gz ACAAPQDDJPIZOU-KRWDZBQOSA-N 1 2 335.407 3.537 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000879151479 1137739606 /nfs/dbraw/zinc/73/96/06/1137739606.db2.gz ANCXAXHHXMBEIY-DYVFJYSZSA-N 1 2 347.409 3.549 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326077 1137744562 /nfs/dbraw/zinc/74/45/62/1137744562.db2.gz PLLWJHVYQGRUKT-QWRGUYRKSA-N 1 2 339.798 3.528 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326077 1137744563 /nfs/dbraw/zinc/74/45/63/1137744563.db2.gz PLLWJHVYQGRUKT-QWRGUYRKSA-N 1 2 339.798 3.528 20 0 EHADLO Clc1ncsc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879553080 1137750676 /nfs/dbraw/zinc/75/06/76/1137750676.db2.gz WJJAOBNQZCAOMT-UHFFFAOYSA-N 1 2 338.864 3.827 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](C[C@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636040 1137753002 /nfs/dbraw/zinc/75/30/02/1137753002.db2.gz FRQWAHCHHOJVQY-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](C[C@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636040 1137753003 /nfs/dbraw/zinc/75/30/03/1137753003.db2.gz FRQWAHCHHOJVQY-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2C[N@H+](C[C@@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636041 1137753073 /nfs/dbraw/zinc/75/30/73/1137753073.db2.gz FRQWAHCHHOJVQY-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](C[C@@]3(C)CC3(Cl)Cl)CCO2)cc1 ZINC000879636041 1137753074 /nfs/dbraw/zinc/75/30/74/1137753074.db2.gz FRQWAHCHHOJVQY-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000879749384 1137757742 /nfs/dbraw/zinc/75/77/42/1137757742.db2.gz WMMFILPAJMWXDU-CQSZACIVSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000879749384 1137757743 /nfs/dbraw/zinc/75/77/43/1137757743.db2.gz WMMFILPAJMWXDU-CQSZACIVSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cncc(C)c3)o2)c(C)o1 ZINC000879749006 1137757762 /nfs/dbraw/zinc/75/77/62/1137757762.db2.gz ROKBIBFAKUHUJY-QGZVFWFLSA-N 1 2 338.411 3.987 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cncc(C)c3)o2)c(C)o1 ZINC000879749006 1137757763 /nfs/dbraw/zinc/75/77/63/1137757763.db2.gz ROKBIBFAKUHUJY-QGZVFWFLSA-N 1 2 338.411 3.987 20 0 EHADLO CC1(C)C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000888798385 1137766707 /nfs/dbraw/zinc/76/67/07/1137766707.db2.gz GYCXQISQIFYZDF-JKSUJKDBSA-N 1 2 343.496 3.722 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1nc3ccccc3o1)CC2 ZINC000880090976 1137767852 /nfs/dbraw/zinc/76/78/52/1137767852.db2.gz QVDICMHLUYDXAS-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC000880090976 1137767853 /nfs/dbraw/zinc/76/78/53/1137767853.db2.gz QVDICMHLUYDXAS-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000880301990 1137774024 /nfs/dbraw/zinc/77/40/24/1137774024.db2.gz AQUVFRWGVYQAGN-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000880301990 1137774025 /nfs/dbraw/zinc/77/40/25/1137774025.db2.gz AQUVFRWGVYQAGN-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000880303100 1137774078 /nfs/dbraw/zinc/77/40/78/1137774078.db2.gz LUSJVNVGDRUXTO-AWEZNQCLSA-N 1 2 346.374 3.865 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000880303100 1137774079 /nfs/dbraw/zinc/77/40/79/1137774079.db2.gz LUSJVNVGDRUXTO-AWEZNQCLSA-N 1 2 346.374 3.865 20 0 EHADLO Cn1ccc(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)n1 ZINC000880352306 1137775906 /nfs/dbraw/zinc/77/59/06/1137775906.db2.gz RHFOKSUEJPVDNU-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO Cc1cccc2c(CN3CC[C@@H]([NH+]4CCCCC4)C(F)(F)C3)[nH]nc21 ZINC001137152263 1137776094 /nfs/dbraw/zinc/77/60/94/1137776094.db2.gz LMIWGZGBXOHWIV-QGZVFWFLSA-N 1 2 348.441 3.567 20 0 EHADLO c1cnc(C2([NH2+]Cc3ccccc3Oc3cccnc3)CCC2)nc1 ZINC000880365739 1137776387 /nfs/dbraw/zinc/77/63/87/1137776387.db2.gz RWLSGQYJFXFASN-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO Fc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1Br ZINC000880365287 1137776443 /nfs/dbraw/zinc/77/64/43/1137776443.db2.gz JBPWRBIMBOCLEP-UHFFFAOYSA-N 1 2 336.208 3.547 20 0 EHADLO CCc1nnc(C[N@@H+]2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000880372519 1137776968 /nfs/dbraw/zinc/77/69/68/1137776968.db2.gz KFTUSKZQHYJSSP-KRWDZBQOSA-N 1 2 339.361 3.647 20 0 EHADLO CCc1nnc(C[N@H+]2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000880372519 1137776969 /nfs/dbraw/zinc/77/69/69/1137776969.db2.gz KFTUSKZQHYJSSP-KRWDZBQOSA-N 1 2 339.361 3.647 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccccn2)n1)[C@H](CO)c1ccccc1 ZINC000880460019 1137779097 /nfs/dbraw/zinc/77/90/97/1137779097.db2.gz NUNXXVGUGZDGEG-GOSISDBHSA-N 1 2 339.464 3.761 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H](CO)c1ccccc1 ZINC000880460019 1137779098 /nfs/dbraw/zinc/77/90/98/1137779098.db2.gz NUNXXVGUGZDGEG-GOSISDBHSA-N 1 2 339.464 3.761 20 0 EHADLO Cc1csc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c1 ZINC001137154778 1137779807 /nfs/dbraw/zinc/77/98/07/1137779807.db2.gz SSVKWDIESUFGHH-OAHLLOKOSA-N 1 2 333.501 3.562 20 0 EHADLO Cc1csc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c1 ZINC001137154778 1137779808 /nfs/dbraw/zinc/77/98/08/1137779808.db2.gz SSVKWDIESUFGHH-OAHLLOKOSA-N 1 2 333.501 3.562 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCc2ccccc21 ZINC000626133941 1137785344 /nfs/dbraw/zinc/78/53/44/1137785344.db2.gz XLSPKNXSERGZBL-PBHICJAKSA-N 1 2 342.487 3.627 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCc2ccccc21 ZINC000626133941 1137785345 /nfs/dbraw/zinc/78/53/45/1137785345.db2.gz XLSPKNXSERGZBL-PBHICJAKSA-N 1 2 342.487 3.627 20 0 EHADLO CCC[N@@H+](Cc1ccccc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000128649651 1137791216 /nfs/dbraw/zinc/79/12/16/1137791216.db2.gz VHSGHKOTDZMCIO-UHFFFAOYSA-N 1 2 344.406 3.846 20 0 EHADLO CCC[N@H+](Cc1ccccc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000128649651 1137791217 /nfs/dbraw/zinc/79/12/17/1137791217.db2.gz VHSGHKOTDZMCIO-UHFFFAOYSA-N 1 2 344.406 3.846 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000880863973 1137792128 /nfs/dbraw/zinc/79/21/28/1137792128.db2.gz DLMWPQDKQHMSTP-HNNXBMFYSA-N 1 2 340.427 3.638 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162783 1137799455 /nfs/dbraw/zinc/79/94/55/1137799455.db2.gz ICURTSHCKMAIGI-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162783 1137799456 /nfs/dbraw/zinc/79/94/56/1137799456.db2.gz ICURTSHCKMAIGI-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2(C)C)cc1 ZINC000881660936 1137813326 /nfs/dbraw/zinc/81/33/26/1137813326.db2.gz XOLPTHGZNNCFQO-KZNAEPCWSA-N 1 2 337.467 3.627 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000881661004 1137813358 /nfs/dbraw/zinc/81/33/58/1137813358.db2.gz FTXUBUXYDUTOTI-CQSZACIVSA-N 1 2 331.847 3.790 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC001137169656 1137817795 /nfs/dbraw/zinc/81/77/95/1137817795.db2.gz LVBJMUZGGGIBDQ-DLBZAZTESA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC001137169656 1137817796 /nfs/dbraw/zinc/81/77/96/1137817796.db2.gz LVBJMUZGGGIBDQ-DLBZAZTESA-N 1 2 344.842 3.861 20 0 EHADLO O=C(Cc1cc(-c2ccccc2)on1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000129706154 1137828697 /nfs/dbraw/zinc/82/86/97/1137828697.db2.gz KSNYZXJIVXJBRB-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000882571390 1137829627 /nfs/dbraw/zinc/82/96/27/1137829627.db2.gz FOTRYZCTKKCIIG-SMDDNHRTSA-N 1 2 341.308 3.657 20 0 EHADLO CCCCSCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872336 1137836400 /nfs/dbraw/zinc/83/64/00/1137836400.db2.gz CIDOSVSKYGHLCH-KRWDZBQOSA-N 1 2 331.485 3.664 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2cc(Br)ccc2F)n1 ZINC000882884370 1137836925 /nfs/dbraw/zinc/83/69/25/1137836925.db2.gz GUVWLOHJERSSQY-UHFFFAOYSA-N 1 2 326.213 3.725 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1nc(C(F)(F)F)cs1 ZINC000883105489 1137844719 /nfs/dbraw/zinc/84/47/19/1137844719.db2.gz LKKAGQZMLAOPCU-ZETCQYMHSA-N 1 2 344.314 3.712 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1nc(C(F)(F)F)cs1 ZINC000883105488 1137844850 /nfs/dbraw/zinc/84/48/50/1137844850.db2.gz LKKAGQZMLAOPCU-SSDOTTSWSA-N 1 2 344.314 3.712 20 0 EHADLO CSc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)o1 ZINC000883198994 1137848269 /nfs/dbraw/zinc/84/82/69/1137848269.db2.gz UZWALBLMMCJZCP-UHFFFAOYSA-N 1 2 345.390 3.843 20 0 EHADLO CCn1cc(C[NH2+]Cc2ncc(Cl)s2)c(-c2ccccc2)n1 ZINC000883202793 1137848278 /nfs/dbraw/zinc/84/82/78/1137848278.db2.gz KRCGPWNWOXWSLN-UHFFFAOYSA-N 1 2 332.860 3.970 20 0 EHADLO Cn1nc2c(c1CNc1[nH+]c3ccccc3n1C1CC1)CSCC2 ZINC000883219242 1137849220 /nfs/dbraw/zinc/84/92/20/1137849220.db2.gz OSGLBDBVRAWRSI-UHFFFAOYSA-N 1 2 339.468 3.506 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1sccc1Cl ZINC000883227418 1137849433 /nfs/dbraw/zinc/84/94/33/1137849433.db2.gz QJQMKSYVUJHLHR-NSHDSACASA-N 1 2 333.848 3.823 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1)c1ccccc1 ZINC000348225732 1137850273 /nfs/dbraw/zinc/85/02/73/1137850273.db2.gz CENCVPGJMIZREM-NEPXVJNWSA-N 1 2 332.488 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1)c1ccccc1 ZINC000348225732 1137850274 /nfs/dbraw/zinc/85/02/74/1137850274.db2.gz CENCVPGJMIZREM-NEPXVJNWSA-N 1 2 332.488 3.532 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000883258441 1137850908 /nfs/dbraw/zinc/85/09/08/1137850908.db2.gz BJYASEUIDPTRFP-UHFFFAOYSA-N 1 2 334.851 3.734 20 0 EHADLO Brc1ccc2oc(C[NH2+]Cc3cc4n(n3)CCC4)cc2c1 ZINC000883279663 1137852328 /nfs/dbraw/zinc/85/23/28/1137852328.db2.gz BEBYKKSXGBVLNK-UHFFFAOYSA-N 1 2 346.228 3.628 20 0 EHADLO CC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(OC)c1OC ZINC000883311351 1137854026 /nfs/dbraw/zinc/85/40/26/1137854026.db2.gz XFYKWBJMKILSFM-HNNXBMFYSA-N 1 2 327.428 3.614 20 0 EHADLO Brc1ccc2c(c1)CC[C@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883313533 1137854102 /nfs/dbraw/zinc/85/41/02/1137854102.db2.gz GLSDCNYLSQTOEW-OAHLLOKOSA-N 1 2 344.256 3.895 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 ZINC000828001642 1137868711 /nfs/dbraw/zinc/86/87/11/1137868711.db2.gz JWIUWJGFZVZCLJ-FQEVSTJZSA-N 1 2 337.467 3.887 20 0 EHADLO C[C@@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C)n1cc[nH+]c1 ZINC001137197335 1137870215 /nfs/dbraw/zinc/87/02/15/1137870215.db2.gz RFLBPVHURPZFGY-QWRGUYRKSA-N 1 2 338.238 3.897 20 0 EHADLO CO[C@@]1(C)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000348235806 1137870748 /nfs/dbraw/zinc/87/07/48/1137870748.db2.gz UFKIUVYABPNQKR-HNNXBMFYSA-N 1 2 328.243 3.642 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000348235806 1137870749 /nfs/dbraw/zinc/87/07/49/1137870749.db2.gz UFKIUVYABPNQKR-HNNXBMFYSA-N 1 2 328.243 3.642 20 0 EHADLO Cc1ccccc1-n1nccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001202604229 1137882759 /nfs/dbraw/zinc/88/27/59/1137882759.db2.gz XIKSEYSLYZWRJG-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000106446199 1137883532 /nfs/dbraw/zinc/88/35/32/1137883532.db2.gz HIZGRMNPYBFXQG-AWEZNQCLSA-N 1 2 344.415 3.539 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000106446199 1137883533 /nfs/dbraw/zinc/88/35/33/1137883533.db2.gz HIZGRMNPYBFXQG-AWEZNQCLSA-N 1 2 344.415 3.539 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCCc2ccccc2C1 ZINC000106887182 1137884777 /nfs/dbraw/zinc/88/47/77/1137884777.db2.gz IDHFMJVNNVSSHF-CYBMUJFWSA-N 1 2 329.831 3.510 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCCc2ccccc2C1 ZINC000106887182 1137884778 /nfs/dbraw/zinc/88/47/78/1137884778.db2.gz IDHFMJVNNVSSHF-CYBMUJFWSA-N 1 2 329.831 3.510 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000348262935 1137886600 /nfs/dbraw/zinc/88/66/00/1137886600.db2.gz UAVVRUCBULUYQR-ORYQWCPZSA-N 1 2 345.446 3.597 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(F)cc(Cl)c1 ZINC000348264373 1137886824 /nfs/dbraw/zinc/88/68/24/1137886824.db2.gz DDDWKRQIOFQTLV-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069324 1137899092 /nfs/dbraw/zinc/89/90/92/1137899092.db2.gz OROYGCSENRIWAJ-CVEARBPZSA-N 1 2 342.443 3.662 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C)n1C1CC1 ZINC000348287766 1137900287 /nfs/dbraw/zinc/90/02/87/1137900287.db2.gz WBHDRXDTHDLLIB-IUODEOHRSA-N 1 2 328.378 3.895 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C)n1C1CC1 ZINC000348287766 1137900288 /nfs/dbraw/zinc/90/02/88/1137900288.db2.gz WBHDRXDTHDLLIB-IUODEOHRSA-N 1 2 328.378 3.895 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111158365 1137903712 /nfs/dbraw/zinc/90/37/12/1137903712.db2.gz ZVIUETAPCUQQID-SFTDATJTSA-N 1 2 345.446 3.998 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)ccc1OCC(C)C ZINC000112525110 1137908330 /nfs/dbraw/zinc/90/83/30/1137908330.db2.gz ZJRODGPTTNPYJN-CHWSQXEVSA-N 1 2 333.432 3.833 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1cc(C)cnc1=S)CCC2 ZINC000133760571 1137909899 /nfs/dbraw/zinc/90/98/99/1137909899.db2.gz IFNNOTKIWZUTAD-CYBMUJFWSA-N 1 2 334.514 3.907 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1cc(C)cnc1=S)CCC2 ZINC000133760571 1137909900 /nfs/dbraw/zinc/90/99/00/1137909900.db2.gz IFNNOTKIWZUTAD-CYBMUJFWSA-N 1 2 334.514 3.907 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331719470 1137918233 /nfs/dbraw/zinc/91/82/33/1137918233.db2.gz ILXHXYLZDUDXIQ-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331719470 1137918234 /nfs/dbraw/zinc/91/82/34/1137918234.db2.gz ILXHXYLZDUDXIQ-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc1OC ZINC000114724763 1137918578 /nfs/dbraw/zinc/91/85/78/1137918578.db2.gz AHAPUXPKVBLPBP-MRXNPFEDSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)cc1OC ZINC000114724763 1137918579 /nfs/dbraw/zinc/91/85/79/1137918579.db2.gz AHAPUXPKVBLPBP-MRXNPFEDSA-N 1 2 329.444 3.818 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776374 1137920037 /nfs/dbraw/zinc/92/00/37/1137920037.db2.gz GQFXDTAUDJOGSO-STQMWFEESA-N 1 2 333.436 3.640 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776374 1137920038 /nfs/dbraw/zinc/92/00/38/1137920038.db2.gz GQFXDTAUDJOGSO-STQMWFEESA-N 1 2 333.436 3.640 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000348302228 1137920144 /nfs/dbraw/zinc/92/01/44/1137920144.db2.gz BJQVPDJJMFNYLM-SFHVURJKSA-N 1 2 328.481 3.670 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000348302228 1137920145 /nfs/dbraw/zinc/92/01/45/1137920145.db2.gz BJQVPDJJMFNYLM-SFHVURJKSA-N 1 2 328.481 3.670 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c(C)[nH+]1 ZINC000331924318 1137925802 /nfs/dbraw/zinc/92/58/02/1137925802.db2.gz VRSZSENGCAECQF-KRWDZBQOSA-N 1 2 343.402 3.751 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116740920 1137927151 /nfs/dbraw/zinc/92/71/51/1137927151.db2.gz PPCNDHWGBSDLDO-VQIMIIECSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000116882315 1137928078 /nfs/dbraw/zinc/92/80/78/1137928078.db2.gz UOWRZYBNXCBOAE-UHFFFAOYSA-N 1 2 339.395 3.681 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000117591906 1137930833 /nfs/dbraw/zinc/93/08/33/1137930833.db2.gz ROMRGBUHDLZZGN-UHFFFAOYSA-N 1 2 337.467 3.567 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332156285 1137933940 /nfs/dbraw/zinc/93/39/40/1137933940.db2.gz NYWVMQLASPENPT-HOTGVXAUSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000120731793 1137952094 /nfs/dbraw/zinc/95/20/94/1137952094.db2.gz HTCJAPXFPICLBM-OAHLLOKOSA-N 1 2 339.464 3.939 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000120731793 1137952095 /nfs/dbraw/zinc/95/20/95/1137952095.db2.gz HTCJAPXFPICLBM-OAHLLOKOSA-N 1 2 339.464 3.939 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccsc3)C2)c(C)[nH+]1 ZINC000333067667 1137954395 /nfs/dbraw/zinc/95/43/95/1137954395.db2.gz OEDGJFNIXKRVSM-HNNXBMFYSA-N 1 2 331.441 3.674 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000121096297 1137955061 /nfs/dbraw/zinc/95/50/61/1137955061.db2.gz ADLMLJCSHAYEBD-CQSZACIVSA-N 1 2 349.500 3.819 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000121096297 1137955062 /nfs/dbraw/zinc/95/50/62/1137955062.db2.gz ADLMLJCSHAYEBD-CQSZACIVSA-N 1 2 349.500 3.819 20 0 EHADLO CCCn1nc(C)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1C ZINC000121343018 1137957027 /nfs/dbraw/zinc/95/70/27/1137957027.db2.gz FLZTVUCMEHEYBW-UHFFFAOYSA-N 1 2 337.471 3.728 20 0 EHADLO CCCn1nc(C)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1C ZINC000121343018 1137957028 /nfs/dbraw/zinc/95/70/28/1137957028.db2.gz FLZTVUCMEHEYBW-UHFFFAOYSA-N 1 2 337.471 3.728 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000121464834 1137958125 /nfs/dbraw/zinc/95/81/25/1137958125.db2.gz UXBLLYSSJLSVRZ-UHFFFAOYSA-N 1 2 342.443 3.759 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc2cc(C)ccc2n1)C1CCCC1 ZINC001137219101 1138012088 /nfs/dbraw/zinc/01/20/88/1138012088.db2.gz ZFJVVZPJCNDBNH-UHFFFAOYSA-N 1 2 326.440 3.851 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc2cc(C)ccc2n1)C1CCCC1 ZINC001137219101 1138012090 /nfs/dbraw/zinc/01/20/90/1138012090.db2.gz ZFJVVZPJCNDBNH-UHFFFAOYSA-N 1 2 326.440 3.851 20 0 EHADLO C[C@@H](CC1CCC1)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242255 1138022785 /nfs/dbraw/zinc/02/27/85/1138022785.db2.gz NVRNLHIZFSTMIP-YJBOKZPZSA-N 1 2 326.444 3.502 20 0 EHADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000886329140 1138067984 /nfs/dbraw/zinc/06/79/84/1138067984.db2.gz ZPXADMXAXNDTAZ-IYBDPMFKSA-N 1 2 341.480 3.842 20 0 EHADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000886329140 1138067987 /nfs/dbraw/zinc/06/79/87/1138067987.db2.gz ZPXADMXAXNDTAZ-IYBDPMFKSA-N 1 2 341.480 3.842 20 0 EHADLO CC(C)([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1F ZINC000886350452 1138070101 /nfs/dbraw/zinc/07/01/01/1138070101.db2.gz VIFPIRFROZXISE-UHFFFAOYSA-N 1 2 333.304 3.749 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@H](C)[C@H]2c2ccccc2)n1 ZINC000886542956 1138093836 /nfs/dbraw/zinc/09/38/36/1138093836.db2.gz IKJGZWNCKIEOAV-GUYCJALGSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@H](C)[C@H]2c2ccccc2)n1 ZINC000886542956 1138093839 /nfs/dbraw/zinc/09/38/39/1138093839.db2.gz IKJGZWNCKIEOAV-GUYCJALGSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000072602087 1138106205 /nfs/dbraw/zinc/10/62/05/1138106205.db2.gz SMMQVVZRIKKNQZ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000072602087 1138106207 /nfs/dbraw/zinc/10/62/07/1138106207.db2.gz SMMQVVZRIKKNQZ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886712452 1138122887 /nfs/dbraw/zinc/12/28/87/1138122887.db2.gz DQEZBDMSXGLCMT-KRWDZBQOSA-N 1 2 341.361 3.716 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828275 1138124499 /nfs/dbraw/zinc/12/44/99/1138124499.db2.gz TWLBCDXROHBAFJ-UHFFFAOYSA-N 1 2 345.446 3.948 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)cc1OC ZINC000079303303 1138155259 /nfs/dbraw/zinc/15/52/59/1138155259.db2.gz RLRDGXNDIZYJJF-RYUDHWBXSA-N 1 2 331.416 3.684 20 0 EHADLO C[C@@H](NC(=O)N(C)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551151 1138163427 /nfs/dbraw/zinc/16/34/27/1138163427.db2.gz QSXHXCGCUHPJCB-OAHLLOKOSA-N 1 2 326.444 3.907 20 0 EHADLO COc1cccc(C(=O)C2CC[NH+](Cc3cnccc3Cl)CC2)c1 ZINC001137231310 1138176254 /nfs/dbraw/zinc/17/62/54/1138176254.db2.gz JWFOSFCREBAJBJ-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000088483909 1138194324 /nfs/dbraw/zinc/19/43/24/1138194324.db2.gz YUFCHXNMWZXYEA-CQSZACIVSA-N 1 2 325.387 3.993 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000088483909 1138194326 /nfs/dbraw/zinc/19/43/26/1138194326.db2.gz YUFCHXNMWZXYEA-CQSZACIVSA-N 1 2 325.387 3.993 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cn1 ZINC000090401874 1138210510 /nfs/dbraw/zinc/21/05/10/1138210510.db2.gz GHKGVOPEXHUMAN-ZDUSSCGKSA-N 1 2 327.457 3.833 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000090955742 1138214709 /nfs/dbraw/zinc/21/47/09/1138214709.db2.gz KSFHPVMCZHVKBW-PXNSSMCTSA-N 1 2 336.414 3.711 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091890685 1138222662 /nfs/dbraw/zinc/22/26/62/1138222662.db2.gz PMUMHQJUMGQMDQ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091890685 1138222663 /nfs/dbraw/zinc/22/26/63/1138222663.db2.gz PMUMHQJUMGQMDQ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Clc1cccc(OC2CC[NH+](Cc3cnccc3Cl)CC2)n1 ZINC001137237960 1138223516 /nfs/dbraw/zinc/22/35/16/1138223516.db2.gz MLUMDHZLNMIMRR-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO c1sc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1C1CCOCC1 ZINC000092196998 1138225453 /nfs/dbraw/zinc/22/54/53/1138225453.db2.gz VZJGWIHXOYUXCR-SFHVURJKSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1C1CCOCC1 ZINC000092196998 1138225454 /nfs/dbraw/zinc/22/54/54/1138225454.db2.gz VZJGWIHXOYUXCR-SFHVURJKSA-N 1 2 344.480 3.611 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1ccc(CSC(F)F)o1 ZINC000092562529 1138229784 /nfs/dbraw/zinc/22/97/84/1138229784.db2.gz RUUBSWSSRLAWKW-UHFFFAOYSA-N 1 2 331.384 3.977 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1ccc(CSC(F)F)o1 ZINC000092562529 1138229787 /nfs/dbraw/zinc/22/97/87/1138229787.db2.gz RUUBSWSSRLAWKW-UHFFFAOYSA-N 1 2 331.384 3.977 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093235964 1138235219 /nfs/dbraw/zinc/23/52/19/1138235219.db2.gz BPVJWORXDFVJBX-LSDHHAIUSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235964 1138235221 /nfs/dbraw/zinc/23/52/21/1138235221.db2.gz BPVJWORXDFVJBX-LSDHHAIUSA-N 1 2 345.874 3.947 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(COC)o1 ZINC000093660357 1138239388 /nfs/dbraw/zinc/23/93/88/1138239388.db2.gz XOASXZPBNRCTCD-UHFFFAOYSA-N 1 2 330.428 3.503 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(COC)o1 ZINC000093660357 1138239390 /nfs/dbraw/zinc/23/93/90/1138239390.db2.gz XOASXZPBNRCTCD-UHFFFAOYSA-N 1 2 330.428 3.503 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768435 1138240537 /nfs/dbraw/zinc/24/05/37/1138240537.db2.gz BPJCAAUSPMBUIZ-KRWDZBQOSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768435 1138240538 /nfs/dbraw/zinc/24/05/38/1138240538.db2.gz BPJCAAUSPMBUIZ-KRWDZBQOSA-N 1 2 343.427 3.851 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC2(CCCC2)CC1 ZINC000122590875 1138259899 /nfs/dbraw/zinc/25/98/99/1138259899.db2.gz WXHRNUWIABZQST-UHFFFAOYSA-N 1 2 342.487 3.548 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C(C)C ZINC000122811335 1138262614 /nfs/dbraw/zinc/26/26/14/1138262614.db2.gz KOQHSVZDOZLPHE-KDOFPFPSSA-N 1 2 328.460 3.606 20 0 EHADLO CCCn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000124015506 1138277880 /nfs/dbraw/zinc/27/78/80/1138277880.db2.gz LYDDIZLPZJWSLK-UHFFFAOYSA-N 1 2 335.411 3.609 20 0 EHADLO C[C@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124743078 1138293630 /nfs/dbraw/zinc/29/36/30/1138293630.db2.gz FTZCLFGCWDWTKC-PKOBYXMFSA-N 1 2 337.467 3.706 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccccn1 ZINC000125394136 1138307756 /nfs/dbraw/zinc/30/77/56/1138307756.db2.gz WZHIMAXNAFIHAD-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccccn1 ZINC000125394136 1138307759 /nfs/dbraw/zinc/30/77/59/1138307759.db2.gz WZHIMAXNAFIHAD-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129581490 1138414802 /nfs/dbraw/zinc/41/48/02/1138414802.db2.gz PONAEEPCVWXCOC-DOMZBBRYSA-N 1 2 334.370 3.936 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)cc1 ZINC000336878941 1138419333 /nfs/dbraw/zinc/41/93/33/1138419333.db2.gz JYIVZZIXLSHZGW-ZDUSSCGKSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)cc1 ZINC000336878941 1138419334 /nfs/dbraw/zinc/41/93/34/1138419334.db2.gz JYIVZZIXLSHZGW-ZDUSSCGKSA-N 1 2 341.333 3.520 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129781616 1138422196 /nfs/dbraw/zinc/42/21/96/1138422196.db2.gz OCSXJZWTBXZHCB-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(C)o1 ZINC000264165396 1138432049 /nfs/dbraw/zinc/43/20/49/1138432049.db2.gz BRQUWBVVIQSSNM-AWEZNQCLSA-N 1 2 328.412 3.542 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000264175909 1138434253 /nfs/dbraw/zinc/43/42/53/1138434253.db2.gz LRZUVTNZCPZCKF-CVEARBPZSA-N 1 2 325.456 3.971 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000264266272 1138459080 /nfs/dbraw/zinc/45/90/80/1138459080.db2.gz SVWKRWRZXWCPJA-BBWFWOEESA-N 1 2 345.487 3.590 20 0 EHADLO C[C@@H](CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000887578628 1138468988 /nfs/dbraw/zinc/46/89/88/1138468988.db2.gz AWUAVKOHZMFSNE-WMZOPIPTSA-N 1 2 325.456 3.877 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000337162502 1138483089 /nfs/dbraw/zinc/48/30/89/1138483089.db2.gz YEUXQKVYABWQMU-INIZCTEOSA-N 1 2 349.434 3.773 20 0 EHADLO CC(C)n1nccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000337177671 1138487165 /nfs/dbraw/zinc/48/71/65/1138487165.db2.gz KFSGHYGAJAYGQE-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC(C)n1nccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000337177671 1138487167 /nfs/dbraw/zinc/48/71/67/1138487167.db2.gz KFSGHYGAJAYGQE-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC[C@H]([NH2+]Cc1cnc(OC)nc1C)c1nc(C(F)(F)F)cs1 ZINC000337184462 1138488789 /nfs/dbraw/zinc/48/87/89/1138488789.db2.gz CJRLMPDNQOZRPR-JTQLQIEISA-N 1 2 346.378 3.510 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193471 1138491280 /nfs/dbraw/zinc/49/12/80/1138491280.db2.gz UPEAYGOXPDDAMK-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337193471 1138491282 /nfs/dbraw/zinc/49/12/82/1138491282.db2.gz UPEAYGOXPDDAMK-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337212965 1138496788 /nfs/dbraw/zinc/49/67/88/1138496788.db2.gz VYULZVQRZACUNK-HNNXBMFYSA-N 1 2 338.480 3.570 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000264425506 1138511210 /nfs/dbraw/zinc/51/12/10/1138511210.db2.gz ZVIZHKRVQRYGJU-STQMWFEESA-N 1 2 328.441 3.547 20 0 EHADLO CC(C)(COCc1ccccc1)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000337302265 1138525020 /nfs/dbraw/zinc/52/50/20/1138525020.db2.gz PHCZYKGGNCWXSQ-UHFFFAOYSA-N 1 2 329.444 3.812 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264547848 1138555131 /nfs/dbraw/zinc/55/51/31/1138555131.db2.gz VULBORIMVOYCEH-OAHLLOKOSA-N 1 2 331.485 3.980 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@](F)(c4cc(C)cc(F)c4)C3)cc12 ZINC000337405479 1138558544 /nfs/dbraw/zinc/55/85/44/1138558544.db2.gz NHCWTDMPQSFMTA-IBGZPJMESA-N 1 2 342.393 3.785 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CC[C@@](F)(c4cc(C)cc(F)c4)C3)cc12 ZINC000337405479 1138558545 /nfs/dbraw/zinc/55/85/45/1138558545.db2.gz NHCWTDMPQSFMTA-IBGZPJMESA-N 1 2 342.393 3.785 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cnccc1Oc1ccccc1 ZINC000337516515 1138592368 /nfs/dbraw/zinc/59/23/68/1138592368.db2.gz VCQFNRFSMIGMAO-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO CCc1cc(OC)ccc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000337547260 1138601625 /nfs/dbraw/zinc/60/16/25/1138601625.db2.gz MHVITHBGZYYFSU-QGZVFWFLSA-N 1 2 339.483 3.531 20 0 EHADLO Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337565784 1138607222 /nfs/dbraw/zinc/60/72/22/1138607222.db2.gz OIIXAWJIYFILLV-SFHVURJKSA-N 1 2 331.419 3.810 20 0 EHADLO CCCOc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264740807 1138623405 /nfs/dbraw/zinc/62/34/05/1138623405.db2.gz PIAIZXUAEGSBJU-AWEZNQCLSA-N 1 2 328.416 3.610 20 0 EHADLO CC[C@](C)([NH2+]CC(=O)Nc1c(C)cccc1Cl)c1nccs1 ZINC000133562661 1138644739 /nfs/dbraw/zinc/64/47/39/1138644739.db2.gz CNAYSXWESBUWPV-INIZCTEOSA-N 1 2 337.876 3.958 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264897844 1138670245 /nfs/dbraw/zinc/67/02/45/1138670245.db2.gz IYRWQXUTNWJXHP-MRXNPFEDSA-N 1 2 348.406 3.617 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000264959436 1138687453 /nfs/dbraw/zinc/68/74/53/1138687453.db2.gz XCEOHCDCMQIHHF-GOSISDBHSA-N 1 2 343.496 3.679 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000134506803 1138692509 /nfs/dbraw/zinc/69/25/09/1138692509.db2.gz VLRWIXHGIREYSN-RHSMWYFYSA-N 1 2 334.485 3.624 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000134506803 1138692510 /nfs/dbraw/zinc/69/25/10/1138692510.db2.gz VLRWIXHGIREYSN-RHSMWYFYSA-N 1 2 334.485 3.624 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nonc2C)cc1OCCC ZINC000265126697 1138737794 /nfs/dbraw/zinc/73/77/94/1138737794.db2.gz LNYLCBAFKQYWOC-CYBMUJFWSA-N 1 2 333.432 3.806 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338259581 1138804886 /nfs/dbraw/zinc/80/48/86/1138804886.db2.gz VGARPNSAUOSXHY-MRXNPFEDSA-N 1 2 335.234 3.780 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338262086 1138805523 /nfs/dbraw/zinc/80/55/23/1138805523.db2.gz QYCRNNTWOVWJPU-LJQANCHMSA-N 1 2 340.854 3.615 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000338323660 1138835009 /nfs/dbraw/zinc/83/50/09/1138835009.db2.gz WMCJCDXQLFZDGP-CPUCHLNUSA-N 1 2 344.434 3.635 20 0 EHADLO COc1cc([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc(OC)c1OC ZINC000265388516 1138847001 /nfs/dbraw/zinc/84/70/01/1138847001.db2.gz SUCQSDWSMZQBPB-LBPRGKRZSA-N 1 2 343.427 3.861 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000348497823 1138953715 /nfs/dbraw/zinc/95/37/15/1138953715.db2.gz SGEUFGIUPCAZLQ-RDTXWAMCSA-N 1 2 343.496 3.678 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cccnc3)n2)ccc1F ZINC000151112808 1139009824 /nfs/dbraw/zinc/00/98/24/1139009824.db2.gz OHDSBEILAPIIRN-QWHCGFSZSA-N 1 2 326.375 3.991 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151821314 1139059287 /nfs/dbraw/zinc/05/92/87/1139059287.db2.gz TWJKGAJSYQKGSL-QXAKKESOSA-N 1 2 340.471 3.873 20 0 EHADLO CC(C)[C@@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152597366 1139099428 /nfs/dbraw/zinc/09/94/28/1139099428.db2.gz KZOWBHZXYNWEGQ-RBUKOAKNSA-N 1 2 337.467 3.606 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000889557012 1139233213 /nfs/dbraw/zinc/23/32/13/1139233213.db2.gz PQQGJYCGFYNEEW-XLAORIBOSA-N 1 2 342.487 3.779 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@H]1CCC(F)(F)C1 ZINC000890000110 1139298999 /nfs/dbraw/zinc/29/89/99/1139298999.db2.gz LXBYRYXQWMJEFF-ZBFHGGJFSA-N 1 2 347.409 3.873 20 0 EHADLO CC(C)C[C@H](C(=O)NCCC1CCC(F)(F)CC1)n1cc[nH+]c1 ZINC000890056524 1139307307 /nfs/dbraw/zinc/30/73/07/1139307307.db2.gz AEENZMQWTWWQTP-OAHLLOKOSA-N 1 2 327.419 3.802 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449696 1139421210 /nfs/dbraw/zinc/42/12/10/1139421210.db2.gz RDZICUCOBPBMRZ-UKRRQHHQSA-N 1 2 347.484 3.735 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000174449696 1139421212 /nfs/dbraw/zinc/42/12/12/1139421212.db2.gz RDZICUCOBPBMRZ-UKRRQHHQSA-N 1 2 347.484 3.735 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3sc(C)nc3C)n2)c1 ZINC000174658760 1139433576 /nfs/dbraw/zinc/43/35/76/1139433576.db2.gz FOSXZTDMHWPJIV-NSHDSACASA-N 1 2 344.440 3.669 20 0 EHADLO COCc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174664628 1139434554 /nfs/dbraw/zinc/43/45/54/1139434554.db2.gz GZBHLZBWSHJVQW-CYBMUJFWSA-N 1 2 341.386 3.873 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 ZINC000175243965 1139474782 /nfs/dbraw/zinc/47/47/82/1139474782.db2.gz RILLRFYZWQWNNP-BXUZGUMPSA-N 1 2 335.860 3.561 20 0 EHADLO CCC1(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000176503191 1139561831 /nfs/dbraw/zinc/56/18/31/1139561831.db2.gz MWJDHLRNANQHJL-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO CCC1(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000176503191 1139561835 /nfs/dbraw/zinc/56/18/35/1139561835.db2.gz MWJDHLRNANQHJL-IYBDPMFKSA-N 1 2 345.487 3.750 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000177100391 1139596986 /nfs/dbraw/zinc/59/69/86/1139596986.db2.gz BTOYVWWNQAZJEI-QGZVFWFLSA-N 1 2 348.393 3.516 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc3scnc3c2)C[C@H]1n1cc[nH+]c1 ZINC000177606565 1139628595 /nfs/dbraw/zinc/62/85/95/1139628595.db2.gz KHJTUFRLZHHLTP-SWLSCSKDSA-N 1 2 341.440 3.608 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000177628430 1139629982 /nfs/dbraw/zinc/62/99/82/1139629982.db2.gz GGFOPMZJTMVDAM-CQSZACIVSA-N 1 2 331.847 3.608 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000177628430 1139629985 /nfs/dbraw/zinc/62/99/85/1139629985.db2.gz GGFOPMZJTMVDAM-CQSZACIVSA-N 1 2 331.847 3.608 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000177897174 1139652123 /nfs/dbraw/zinc/65/21/23/1139652123.db2.gz URPBPWKCCFVIMW-GFCCVEGCSA-N 1 2 344.440 3.858 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000177897174 1139652127 /nfs/dbraw/zinc/65/21/27/1139652127.db2.gz URPBPWKCCFVIMW-GFCCVEGCSA-N 1 2 344.440 3.858 20 0 EHADLO Cc1cc(CCCC(=O)NCc2ccn3cc[nH+]c3c2)c(C)s1 ZINC000178370479 1139690306 /nfs/dbraw/zinc/69/03/06/1139690306.db2.gz UCHBTMDVISOZMI-UHFFFAOYSA-N 1 2 327.453 3.652 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccncc2)nc2cc(Cl)ccc21 ZINC000179118772 1139735985 /nfs/dbraw/zinc/73/59/85/1139735985.db2.gz LQBPPZAQSJPYSM-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccncc2)nc2cc(Cl)ccc21 ZINC000179118772 1139735990 /nfs/dbraw/zinc/73/59/90/1139735990.db2.gz LQBPPZAQSJPYSM-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)ccc1OC ZINC000180032399 1139803431 /nfs/dbraw/zinc/80/34/31/1139803431.db2.gz UFFPUTHBPDTVMD-IBGZPJMESA-N 1 2 347.480 3.867 20 0 EHADLO CCOCc1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)ccc1OC ZINC000180032399 1139803441 /nfs/dbraw/zinc/80/34/41/1139803441.db2.gz UFFPUTHBPDTVMD-IBGZPJMESA-N 1 2 347.480 3.867 20 0 EHADLO Cc1scc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C ZINC000180211828 1139818623 /nfs/dbraw/zinc/81/86/23/1139818623.db2.gz ZCXDTNZFNCUYJZ-UHFFFAOYSA-N 1 2 344.480 3.758 20 0 EHADLO c1csc(-c2nnc(SCCCn3cc[nH+]c3)n2C2CC2)c1 ZINC000180432972 1139834335 /nfs/dbraw/zinc/83/43/35/1139834335.db2.gz MDXZTHJGFPCPKI-UHFFFAOYSA-N 1 2 331.470 3.720 20 0 EHADLO CC(C)(C)Oc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cn1 ZINC000180886553 1139871120 /nfs/dbraw/zinc/87/11/20/1139871120.db2.gz MOYGPMNSUBEYEW-UHFFFAOYSA-N 1 2 336.439 3.939 20 0 EHADLO CC(C)N1CC[C@H]([NH2+]Cc2ccn[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181032132 1139880328 /nfs/dbraw/zinc/88/03/28/1139880328.db2.gz WTLNIJNCPLUDSS-IRXDYDNUSA-N 1 2 336.842 3.516 20 0 EHADLO Cc1nc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)sc1C ZINC000181190647 1139891172 /nfs/dbraw/zinc/89/11/72/1139891172.db2.gz FTZHPSJKLFXIBT-CYBMUJFWSA-N 1 2 342.468 3.784 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181218410 1139893107 /nfs/dbraw/zinc/89/31/07/1139893107.db2.gz QQXYVUIHXLPPHJ-NVXWUHKLSA-N 1 2 329.444 3.526 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000181574753 1139917111 /nfs/dbraw/zinc/91/71/11/1139917111.db2.gz CXGKFYYYEPLITI-LBPRGKRZSA-N 1 2 345.418 3.523 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000181574768 1139917392 /nfs/dbraw/zinc/91/73/92/1139917392.db2.gz CXGKFYYYEPLITI-GFCCVEGCSA-N 1 2 345.418 3.523 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181878350 1139938135 /nfs/dbraw/zinc/93/81/35/1139938135.db2.gz WWLOHNFNZVSGTJ-HNNXBMFYSA-N 1 2 328.460 3.719 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000182516873 1139977657 /nfs/dbraw/zinc/97/76/57/1139977657.db2.gz NACRUJNPOMEVRJ-JTQLQIEISA-N 1 2 329.322 3.942 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OC)cc1OC1CCCC1)c1nccn1C ZINC000183070808 1140010882 /nfs/dbraw/zinc/01/08/82/1140010882.db2.gz VALASTHGVRDRCZ-SFHVURJKSA-N 1 2 343.471 3.991 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000183163096 1140016947 /nfs/dbraw/zinc/01/69/47/1140016947.db2.gz CUQUNDBOUFJHEG-FATZIPQQSA-N 1 2 331.485 3.838 20 0 EHADLO COC[C@@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)c1ccc(C)o1 ZINC000183669476 1140052357 /nfs/dbraw/zinc/05/23/57/1140052357.db2.gz MEGDZBVEZDQVPB-SNVBAGLBSA-N 1 2 334.363 3.849 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)s1 ZINC000183972654 1140070740 /nfs/dbraw/zinc/07/07/40/1140070740.db2.gz XCKPQFOKYXKHGN-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c1C ZINC000184180921 1140085913 /nfs/dbraw/zinc/08/59/13/1140085913.db2.gz MUHPNFBJTINVKG-SFHVURJKSA-N 1 2 344.455 3.838 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000184461103 1140104136 /nfs/dbraw/zinc/10/41/36/1140104136.db2.gz QCXMPNWFEGBIJN-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000184461103 1140104137 /nfs/dbraw/zinc/10/41/37/1140104137.db2.gz QCXMPNWFEGBIJN-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000184698855 1140116029 /nfs/dbraw/zinc/11/60/29/1140116029.db2.gz VYCZKPCZGFADJE-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cs1 ZINC000184725240 1140117630 /nfs/dbraw/zinc/11/76/30/1140117630.db2.gz WZYHCIPISWLVQX-UONOGXRCSA-N 1 2 331.485 3.622 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C)c1ccc(C)o1 ZINC000184761640 1140119283 /nfs/dbraw/zinc/11/92/83/1140119283.db2.gz JKBQLJNRBJFKSA-NVXWUHKLSA-N 1 2 330.428 3.509 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184876228 1140124007 /nfs/dbraw/zinc/12/40/07/1140124007.db2.gz AREGCFTXINBMEK-OAHLLOKOSA-N 1 2 341.455 3.689 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184872403 1140124056 /nfs/dbraw/zinc/12/40/56/1140124056.db2.gz SXVRHKXMKIXEJU-JKSUJKDBSA-N 1 2 343.471 3.885 20 0 EHADLO CCCCn1c(S[C@@H](C)c2cnccn2)nnc1[C@H](CC)[NH+](C)C ZINC000185138048 1140137399 /nfs/dbraw/zinc/13/73/99/1140137399.db2.gz KNPYQEYTLBVCCU-ZFWWWQNUSA-N 1 2 348.520 3.734 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000185583838 1140157001 /nfs/dbraw/zinc/15/70/01/1140157001.db2.gz URGSMLFNUUTODP-CQSZACIVSA-N 1 2 349.862 3.541 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000185583838 1140157002 /nfs/dbraw/zinc/15/70/02/1140157002.db2.gz URGSMLFNUUTODP-CQSZACIVSA-N 1 2 349.862 3.541 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000186426965 1140203210 /nfs/dbraw/zinc/20/32/10/1140203210.db2.gz FJVJRCKOQLXSLS-HXUWFJFHSA-N 1 2 336.439 3.871 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C)cc1 ZINC000186436697 1140203672 /nfs/dbraw/zinc/20/36/72/1140203672.db2.gz MASWGLYLELIPQV-SFHVURJKSA-N 1 2 336.439 3.933 20 0 EHADLO c1cc(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)cs1 ZINC000186922885 1140228226 /nfs/dbraw/zinc/22/82/26/1140228226.db2.gz SMBMCWRTVNQYFX-UHFFFAOYSA-N 1 2 328.485 3.932 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186931953 1140229182 /nfs/dbraw/zinc/22/91/82/1140229182.db2.gz PTFYLFLWBPKMSL-AWEZNQCLSA-N 1 2 339.468 3.664 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)CC2 ZINC000188129714 1140284260 /nfs/dbraw/zinc/28/42/60/1140284260.db2.gz POWULZMZJBPVSU-IBGZPJMESA-N 1 2 340.471 3.726 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000188747376 1140307363 /nfs/dbraw/zinc/30/73/63/1140307363.db2.gz SOGJOMZEDKGELJ-HXUWFJFHSA-N 1 2 333.435 3.870 20 0 EHADLO CC[C@@H](CSC)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189150382 1140324453 /nfs/dbraw/zinc/32/44/53/1140324453.db2.gz AEQINZJBLALZPR-NSHDSACASA-N 1 2 327.400 3.588 20 0 EHADLO CC[C@@H](CSC)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189150382 1140324460 /nfs/dbraw/zinc/32/44/60/1140324460.db2.gz AEQINZJBLALZPR-NSHDSACASA-N 1 2 327.400 3.588 20 0 EHADLO CO[C@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CC[C@H]1C ZINC000189318683 1140335967 /nfs/dbraw/zinc/33/59/67/1140335967.db2.gz SOZCCSIIBOTWPC-PBHICJAKSA-N 1 2 332.469 3.579 20 0 EHADLO CO[C@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CC[C@H]1C ZINC000189318683 1140335972 /nfs/dbraw/zinc/33/59/72/1140335972.db2.gz SOZCCSIIBOTWPC-PBHICJAKSA-N 1 2 332.469 3.579 20 0 EHADLO CCOCCOCC[N@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000190255227 1140395339 /nfs/dbraw/zinc/39/53/39/1140395339.db2.gz PBDCCYIKULYCLC-UHFFFAOYSA-N 1 2 334.485 3.603 20 0 EHADLO CCOCCOCC[N@@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000190255227 1140395346 /nfs/dbraw/zinc/39/53/46/1140395346.db2.gz PBDCCYIKULYCLC-UHFFFAOYSA-N 1 2 334.485 3.603 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)c(F)c1 ZINC000190312548 1140398504 /nfs/dbraw/zinc/39/85/04/1140398504.db2.gz PZFNBEQAQVTAJU-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)c(F)c1 ZINC000190312548 1140398512 /nfs/dbraw/zinc/39/85/12/1140398512.db2.gz PZFNBEQAQVTAJU-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000190401323 1140401611 /nfs/dbraw/zinc/40/16/11/1140401611.db2.gz AGVZOOMGRGMDJF-QGZVFWFLSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000190401323 1140401614 /nfs/dbraw/zinc/40/16/14/1140401614.db2.gz AGVZOOMGRGMDJF-QGZVFWFLSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)c3nccs3)C2=O)c(C)c1 ZINC000190962259 1140428501 /nfs/dbraw/zinc/42/85/01/1140428501.db2.gz HSPCPXUPMFOJKD-HUUCEWRRSA-N 1 2 329.469 3.524 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cn(C(C)(C)C)nn1 ZINC000191558929 1140472413 /nfs/dbraw/zinc/47/24/13/1140472413.db2.gz QRXWMRDFZZWIRO-UHFFFAOYSA-N 1 2 332.839 3.668 20 0 EHADLO c1cn(-c2ccc(CSc3nnc(NC4CC4)s3)cc2)c[nH+]1 ZINC000191719590 1140481124 /nfs/dbraw/zinc/48/11/24/1140481124.db2.gz BVMZJXWOQZEFHZ-UHFFFAOYSA-N 1 2 329.454 3.590 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1CC ZINC000191782278 1140484997 /nfs/dbraw/zinc/48/49/97/1140484997.db2.gz HVIJGHVBAROGMG-UHFFFAOYSA-N 1 2 328.460 3.952 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC000191826142 1140487984 /nfs/dbraw/zinc/48/79/84/1140487984.db2.gz TYPPYYXJZKNUFD-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cccc(C)c2)n1 ZINC000191826142 1140487991 /nfs/dbraw/zinc/48/79/91/1140487991.db2.gz TYPPYYXJZKNUFD-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1OC ZINC000191925446 1140493816 /nfs/dbraw/zinc/49/38/16/1140493816.db2.gz QMEYDMBTUFALQU-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000192100439 1140502783 /nfs/dbraw/zinc/50/27/83/1140502783.db2.gz APOMMDPHQYLVOE-UKRRQHHQSA-N 1 2 339.798 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(Cl)c1 ZINC000192258962 1140516955 /nfs/dbraw/zinc/51/69/55/1140516955.db2.gz SFYNBOWXKZJZJB-UHFFFAOYSA-N 1 2 333.863 3.580 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)c3nc(C)cc(=O)[nH]3)c(C)c2c1 ZINC000192781037 1140550349 /nfs/dbraw/zinc/55/03/49/1140550349.db2.gz CKXHERUDDWFNHK-STQMWFEESA-N 1 2 341.411 3.966 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C2CC2)cc1 ZINC000193354062 1140573066 /nfs/dbraw/zinc/57/30/66/1140573066.db2.gz OXHSYRXIBAVTIX-LJQANCHMSA-N 1 2 335.407 3.986 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000193667219 1140582828 /nfs/dbraw/zinc/58/28/28/1140582828.db2.gz LJULVMJTDZPTTE-OAHLLOKOSA-N 1 2 347.480 3.600 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000193667219 1140582831 /nfs/dbraw/zinc/58/28/31/1140582831.db2.gz LJULVMJTDZPTTE-OAHLLOKOSA-N 1 2 347.480 3.600 20 0 EHADLO Cc1ccc(Br)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266100046 1140641334 /nfs/dbraw/zinc/64/13/34/1140641334.db2.gz KSEHEHTUWVXVPL-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000266306427 1140665499 /nfs/dbraw/zinc/66/54/99/1140665499.db2.gz CACFFOYPRHDNQA-FQEVSTJZSA-N 1 2 325.456 3.974 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266318147 1140667333 /nfs/dbraw/zinc/66/73/33/1140667333.db2.gz VVFYCZQDDYSSDU-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cccc3cc[nH]c32)c1)[NH+]1CCOCC1 ZINC000266321983 1140668100 /nfs/dbraw/zinc/66/81/00/1140668100.db2.gz ICEHUJVKOGDAHM-HNNXBMFYSA-N 1 2 349.434 3.813 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000266321683 1140668395 /nfs/dbraw/zinc/66/83/95/1140668395.db2.gz WSFYOFDGPHJLCO-KTRBRXNASA-N 1 2 344.484 3.583 20 0 EHADLO CCC(CC)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)SC ZINC000266378833 1140677863 /nfs/dbraw/zinc/67/78/63/1140677863.db2.gz SQFITKOAZNRDPN-UHFFFAOYSA-N 1 2 331.485 3.583 20 0 EHADLO Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266883753 1140732971 /nfs/dbraw/zinc/73/29/71/1140732971.db2.gz PPLOUQLOGXJSAI-HXUWFJFHSA-N 1 2 348.450 3.637 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000267006473 1140750163 /nfs/dbraw/zinc/75/01/63/1140750163.db2.gz QBQHORFGAYDCTR-RBSFLKMASA-N 1 2 348.878 3.759 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cs1 ZINC000267041645 1140753744 /nfs/dbraw/zinc/75/37/44/1140753744.db2.gz ZEOBOELYEKUPAC-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cs1 ZINC000267041645 1140753747 /nfs/dbraw/zinc/75/37/47/1140753747.db2.gz ZEOBOELYEKUPAC-KSSFIOAISA-N 1 2 346.496 3.722 20 0 EHADLO COc1cc(C[NH+]2CCN(c3ncc(C)s3)CC2)ccc1SC ZINC000267462472 1140793692 /nfs/dbraw/zinc/79/36/92/1140793692.db2.gz VPCHQZVWIUSKRF-UHFFFAOYSA-N 1 2 349.525 3.504 20 0 EHADLO CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000267474696 1140795181 /nfs/dbraw/zinc/79/51/81/1140795181.db2.gz VZUDKQSKELNRKI-INIZCTEOSA-N 1 2 345.487 3.876 20 0 EHADLO Cn1c[nH+]cc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000267780066 1140832265 /nfs/dbraw/zinc/83/22/65/1140832265.db2.gz NEZDWTQCHNDYIA-UHFFFAOYSA-N 1 2 341.484 3.805 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCCc1cc(Cl)sc1Cl ZINC000268021935 1140868155 /nfs/dbraw/zinc/86/81/55/1140868155.db2.gz GXKVKJPKHPNZPB-UHFFFAOYSA-N 1 2 332.256 3.726 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000268081703 1140879421 /nfs/dbraw/zinc/87/94/21/1140879421.db2.gz PMWZJHHRTPIOHI-UHFFFAOYSA-N 1 2 344.434 3.567 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Br)cs2)s1 ZINC000268199455 1140902327 /nfs/dbraw/zinc/90/23/27/1140902327.db2.gz MLNMQBLDTLDPHS-UHFFFAOYSA-N 1 2 346.319 3.949 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(OC(F)F)cc2)s1 ZINC000268242258 1140907984 /nfs/dbraw/zinc/90/79/84/1140907984.db2.gz XLCYIENDBYYDLG-UHFFFAOYSA-N 1 2 327.400 3.727 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268342569 1140922786 /nfs/dbraw/zinc/92/27/86/1140922786.db2.gz ANSKJFGHEQKJRW-YJBOKZPZSA-N 1 2 345.874 3.969 20 0 EHADLO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268347172 1140924040 /nfs/dbraw/zinc/92/40/40/1140924040.db2.gz CEFGVYLEZYIHNI-CZUORRHYSA-N 1 2 349.887 3.738 20 0 EHADLO CC[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000268375711 1140929810 /nfs/dbraw/zinc/92/98/10/1140929810.db2.gz XCSVYGMVTKOUAT-QZTJIDSGSA-N 1 2 339.439 3.783 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000268400681 1140933529 /nfs/dbraw/zinc/93/35/29/1140933529.db2.gz UWHRFKUVQOQPJD-PBHICJAKSA-N 1 2 339.464 3.750 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]C[C@@H]3CCCCO3)c3ccccc3)n2)cc1 ZINC000268566425 1140955801 /nfs/dbraw/zinc/95/58/01/1140955801.db2.gz KSBZHZMREOMBDE-RBUKOAKNSA-N 1 2 349.434 3.985 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700491 1140972763 /nfs/dbraw/zinc/97/27/63/1140972763.db2.gz VCTPVPZCYHTMAT-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700491 1140972766 /nfs/dbraw/zinc/97/27/66/1140972766.db2.gz VCTPVPZCYHTMAT-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1OC(F)F ZINC000268809338 1140997275 /nfs/dbraw/zinc/99/72/75/1140997275.db2.gz NJTHZKRFKUYAQT-VIFPVBQESA-N 1 2 341.358 3.987 20 0 EHADLO CCC(CC)n1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000269247545 1141084905 /nfs/dbraw/zinc/08/49/05/1141084905.db2.gz CHSRBWJLNLBWRC-UHFFFAOYSA-N 1 2 344.459 3.537 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)OCO2 ZINC000269490900 1141115092 /nfs/dbraw/zinc/11/50/92/1141115092.db2.gz OQEVHLQRXKJRAH-CYBMUJFWSA-N 1 2 336.338 3.682 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1)OCO2 ZINC000269490900 1141115094 /nfs/dbraw/zinc/11/50/94/1141115094.db2.gz OQEVHLQRXKJRAH-CYBMUJFWSA-N 1 2 336.338 3.682 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000269726712 1141139468 /nfs/dbraw/zinc/13/94/68/1141139468.db2.gz DYCDCIARLQNJCB-UHFFFAOYSA-N 1 2 339.483 3.947 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000269799868 1141145463 /nfs/dbraw/zinc/14/54/63/1141145463.db2.gz KGXZYOVNZVVURH-OAHLLOKOSA-N 1 2 330.432 3.518 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)o1 ZINC000269912195 1141158001 /nfs/dbraw/zinc/15/80/01/1141158001.db2.gz INSIELCCEVUBCM-UHFFFAOYSA-N 1 2 344.194 3.671 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccc(C)cc3)n2C)c1 ZINC000270142889 1141184249 /nfs/dbraw/zinc/18/42/49/1141184249.db2.gz RSEGTVRYMUMAKF-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270361699 1141212782 /nfs/dbraw/zinc/21/27/82/1141212782.db2.gz RONDNXFLBIEJND-RHSMWYFYSA-N 1 2 336.439 3.912 20 0 EHADLO CCCc1noc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000270398739 1141217468 /nfs/dbraw/zinc/21/74/68/1141217468.db2.gz JOAKHTRSBQRNIO-UHFFFAOYSA-N 1 2 335.411 3.549 20 0 EHADLO CS[C@@H](C)CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270471990 1141228364 /nfs/dbraw/zinc/22/83/64/1141228364.db2.gz NJIVOXNEZQTIIZ-ZDUSSCGKSA-N 1 2 327.453 3.682 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270578604 1141241506 /nfs/dbraw/zinc/24/15/06/1141241506.db2.gz IGSUNCBJJDLZKA-UHFFFAOYSA-N 1 2 328.412 3.507 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270578604 1141241512 /nfs/dbraw/zinc/24/15/12/1141241512.db2.gz IGSUNCBJJDLZKA-UHFFFAOYSA-N 1 2 328.412 3.507 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270984566 1141290730 /nfs/dbraw/zinc/29/07/30/1141290730.db2.gz HBCXAYRJJOZWJD-AWEZNQCLSA-N 1 2 338.411 3.723 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000270984566 1141290735 /nfs/dbraw/zinc/29/07/35/1141290735.db2.gz HBCXAYRJJOZWJD-AWEZNQCLSA-N 1 2 338.411 3.723 20 0 EHADLO CC(C)c1nc(C2CC[NH+](Cc3cc(F)c(F)cc3F)CC2)no1 ZINC000271142979 1141313454 /nfs/dbraw/zinc/31/34/54/1141313454.db2.gz BGUWRLAPGKAIKY-UHFFFAOYSA-N 1 2 339.361 3.990 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](C)Cc2c(C)nc3sccn23)s1 ZINC000271180703 1141319994 /nfs/dbraw/zinc/31/99/94/1141319994.db2.gz YYZBOPRWUVILSM-UHFFFAOYSA-N 1 2 349.529 3.639 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](C)Cc2c(C)nc3sccn23)s1 ZINC000271180703 1141319998 /nfs/dbraw/zinc/31/99/98/1141319998.db2.gz YYZBOPRWUVILSM-UHFFFAOYSA-N 1 2 349.529 3.639 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@H+](C)CCc2cnccn2)cs1 ZINC000271403057 1141359144 /nfs/dbraw/zinc/35/91/44/1141359144.db2.gz XGBKVVHPZJPOJP-UHFFFAOYSA-N 1 2 339.468 3.660 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@@H+](C)CCc2cnccn2)cs1 ZINC000271403057 1141359152 /nfs/dbraw/zinc/35/91/52/1141359152.db2.gz XGBKVVHPZJPOJP-UHFFFAOYSA-N 1 2 339.468 3.660 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cs1 ZINC000271418013 1141361490 /nfs/dbraw/zinc/36/14/90/1141361490.db2.gz BNMJTBGYSLATBL-CMPLNLGQSA-N 1 2 338.502 3.612 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000271422099 1141362314 /nfs/dbraw/zinc/36/23/14/1141362314.db2.gz ZNPUQGYQHSUHBM-ZTNVVHBJSA-N 1 2 327.424 3.507 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000271422099 1141362322 /nfs/dbraw/zinc/36/23/22/1141362322.db2.gz ZNPUQGYQHSUHBM-ZTNVVHBJSA-N 1 2 327.424 3.507 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000271571958 1141400615 /nfs/dbraw/zinc/40/06/15/1141400615.db2.gz YYCTZZWFTNXEJR-IINYFYTJSA-N 1 2 335.835 3.809 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000271571958 1141400618 /nfs/dbraw/zinc/40/06/18/1141400618.db2.gz YYCTZZWFTNXEJR-IINYFYTJSA-N 1 2 335.835 3.809 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](c3nc([C@H]4CCCCS4)no3)C2)cc1 ZINC000273947242 1141451484 /nfs/dbraw/zinc/45/14/84/1141451484.db2.gz IPVALWMDOLIRPT-HZPDHXFCSA-N 1 2 345.468 3.601 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](c3nc([C@H]4CCCCS4)no3)C2)cc1 ZINC000273947242 1141451489 /nfs/dbraw/zinc/45/14/89/1141451489.db2.gz IPVALWMDOLIRPT-HZPDHXFCSA-N 1 2 345.468 3.601 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099673 1141474360 /nfs/dbraw/zinc/47/43/60/1141474360.db2.gz SSBMPJNJWKGAOZ-ZQIUZPCESA-N 1 2 327.428 3.545 20 0 EHADLO C[C@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099673 1141474363 /nfs/dbraw/zinc/47/43/63/1141474363.db2.gz SSBMPJNJWKGAOZ-ZQIUZPCESA-N 1 2 327.428 3.545 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000274153493 1141480266 /nfs/dbraw/zinc/48/02/66/1141480266.db2.gz FOMLEALDMXLXGD-QWRGUYRKSA-N 1 2 345.472 3.542 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000274253849 1141490012 /nfs/dbraw/zinc/49/00/12/1141490012.db2.gz SVBITWIKNMJSFS-OLZOCXBDSA-N 1 2 327.457 3.503 20 0 EHADLO c1coc(C[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000274280323 1141492640 /nfs/dbraw/zinc/49/26/40/1141492640.db2.gz JQFBLYDYDFUTAC-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO CCn1c(C)cc(C(=O)C[NH+]2CCC(OCCC(C)C)CC2)c1C ZINC000339204637 1141527162 /nfs/dbraw/zinc/52/71/62/1141527162.db2.gz IYLMXQKAYAGNEL-UHFFFAOYSA-N 1 2 334.504 3.835 20 0 EHADLO Cc1cc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000339222654 1141532940 /nfs/dbraw/zinc/53/29/40/1141532940.db2.gz CBGNKAGOLDNCTP-HNNXBMFYSA-N 1 2 333.439 3.502 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000339227096 1141534271 /nfs/dbraw/zinc/53/42/71/1141534271.db2.gz JTUYHUXLISLMKH-INIZCTEOSA-N 1 2 328.431 3.613 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000339227096 1141534277 /nfs/dbraw/zinc/53/42/77/1141534277.db2.gz JTUYHUXLISLMKH-INIZCTEOSA-N 1 2 328.431 3.613 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c(C(F)F)n1 ZINC000274460041 1141535679 /nfs/dbraw/zinc/53/56/79/1141535679.db2.gz HELCCDMGMVYWQV-UHFFFAOYSA-N 1 2 349.303 3.888 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c(C(F)F)n1 ZINC000274460041 1141535681 /nfs/dbraw/zinc/53/56/81/1141535681.db2.gz HELCCDMGMVYWQV-UHFFFAOYSA-N 1 2 349.303 3.888 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1OC ZINC000348718942 1141570079 /nfs/dbraw/zinc/57/00/79/1141570079.db2.gz YQQQWXPSTIZLIB-KRWDZBQOSA-N 1 2 329.444 3.934 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1OC ZINC000348718942 1141570082 /nfs/dbraw/zinc/57/00/82/1141570082.db2.gz YQQQWXPSTIZLIB-KRWDZBQOSA-N 1 2 329.444 3.934 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348792108 1141580195 /nfs/dbraw/zinc/58/01/95/1141580195.db2.gz BDDZMGCFGFULCA-SNVBAGLBSA-N 1 2 347.340 3.683 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348792108 1141580200 /nfs/dbraw/zinc/58/02/00/1141580200.db2.gz BDDZMGCFGFULCA-SNVBAGLBSA-N 1 2 347.340 3.683 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)ccc2n1 ZINC000348833502 1141591545 /nfs/dbraw/zinc/59/15/45/1141591545.db2.gz PJVKESCESQGVTI-KRWDZBQOSA-N 1 2 342.830 3.538 20 0 EHADLO CC(=O)NCc1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000348889805 1141604852 /nfs/dbraw/zinc/60/48/52/1141604852.db2.gz GZCOXERLRZGZFV-HNNXBMFYSA-N 1 2 334.423 3.682 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1sccc1C(C)C ZINC000052982240 214158909 /nfs/dbraw/zinc/15/89/09/214158909.db2.gz RJYKYUDFFXSRNT-UHFFFAOYSA-N 1 2 327.453 3.960 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC000078734956 217112168 /nfs/dbraw/zinc/11/21/68/217112168.db2.gz ZENHHWXHSBGPHK-HNNXBMFYSA-N 1 2 338.785 3.651 20 0 EHADLO C[C@@H](Nc1nc2ccccc2o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525460773 478393761 /nfs/dbraw/zinc/39/37/61/478393761.db2.gz OORPTBVPIZKSOY-DNVCBOLYSA-N 1 2 337.423 3.529 20 0 EHADLO C[C@@H](Nc1nc2ccccc2o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525460773 478393767 /nfs/dbraw/zinc/39/37/67/478393767.db2.gz OORPTBVPIZKSOY-DNVCBOLYSA-N 1 2 337.423 3.529 20 0 EHADLO Cc1cccc(O[C@@H](C)C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000605445400 479647188 /nfs/dbraw/zinc/64/71/88/479647188.db2.gz JJTPRRWODRVUMJ-INIZCTEOSA-N 1 2 349.434 3.539 20 0 EHADLO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000006734509 563584178 /nfs/dbraw/zinc/58/41/78/563584178.db2.gz UDQSFOVNTYZLFN-UHFFFAOYSA-N 1 2 339.222 3.641 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000825296635 608464020 /nfs/dbraw/zinc/46/40/20/608464020.db2.gz RBZMFYNVJOCBNV-GFCCVEGCSA-N 1 2 342.472 3.517 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826323451 608745925 /nfs/dbraw/zinc/74/59/25/608745925.db2.gz FCCLIPUJGHHXIZ-LLVKDONJSA-N 1 2 346.460 3.541 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826323451 608745926 /nfs/dbraw/zinc/74/59/26/608745926.db2.gz FCCLIPUJGHHXIZ-LLVKDONJSA-N 1 2 346.460 3.541 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532235 609134760 /nfs/dbraw/zinc/13/47/60/609134760.db2.gz SUINGRAIMKVLGP-ZJUUUORDSA-N 1 2 347.344 3.696 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000620132418 1125480082 /nfs/dbraw/zinc/48/00/82/1125480082.db2.gz CERSRCUBCLBMQI-GJZGRUSLSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000620132418 1125480086 /nfs/dbraw/zinc/48/00/86/1125480086.db2.gz CERSRCUBCLBMQI-GJZGRUSLSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)CCOc3ccc(F)cc3Cl)ccc2[nH+]1 ZINC000339271040 1014137415 /nfs/dbraw/zinc/13/74/15/1014137415.db2.gz JIFSPSCBJLVHOR-UHFFFAOYSA-N 1 2 347.777 3.843 20 0 EHADLO Cc1cn2cc(NC(=O)CCCOc3ccc(F)cc3)ccc2[nH+]1 ZINC000339274055 1014140798 /nfs/dbraw/zinc/14/07/98/1014140798.db2.gz JUUVEXSZNNMKDO-UHFFFAOYSA-N 1 2 327.359 3.580 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cn(C)nc2C(F)F)[C@@H](C)CO1 ZINC000274511140 1014162244 /nfs/dbraw/zinc/16/22/44/1014162244.db2.gz VJIWDSJRCVEZEF-XJKSGUPXSA-N 1 2 335.398 3.628 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)[C@@H](C)CO1 ZINC000274511140 1014162247 /nfs/dbraw/zinc/16/22/47/1014162247.db2.gz VJIWDSJRCVEZEF-XJKSGUPXSA-N 1 2 335.398 3.628 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000654709715 1014204599 /nfs/dbraw/zinc/20/45/99/1014204599.db2.gz AFNCIDZJKKEVMI-GFCCVEGCSA-N 1 2 340.418 3.513 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000090232655 1014226863 /nfs/dbraw/zinc/22/68/63/1014226863.db2.gz MUMKIRFDKZFQRI-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000683108469 1014332065 /nfs/dbraw/zinc/33/20/65/1014332065.db2.gz FKTIUFFBKNPLNO-AWEZNQCLSA-N 1 2 333.863 3.584 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000683108469 1014332076 /nfs/dbraw/zinc/33/20/76/1014332076.db2.gz FKTIUFFBKNPLNO-AWEZNQCLSA-N 1 2 333.863 3.584 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186702427 1014353030 /nfs/dbraw/zinc/35/30/30/1014353030.db2.gz WILSRGVUSZFZLB-BFUOFWGJSA-N 1 2 327.428 3.560 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186702427 1014353043 /nfs/dbraw/zinc/35/30/43/1014353043.db2.gz WILSRGVUSZFZLB-BFUOFWGJSA-N 1 2 327.428 3.560 20 0 EHADLO C[C@H](C(=O)Nc1nc(-c2ccccc2)co1)[N@@H+]1CCc2ccccc2C1 ZINC000339413952 1014377395 /nfs/dbraw/zinc/37/73/95/1014377395.db2.gz XMCUNRPLWCEHLV-OAHLLOKOSA-N 1 2 347.418 3.727 20 0 EHADLO C[C@H](C(=O)Nc1nc(-c2ccccc2)co1)[N@H+]1CCc2ccccc2C1 ZINC000339413952 1014377405 /nfs/dbraw/zinc/37/74/05/1014377405.db2.gz XMCUNRPLWCEHLV-OAHLLOKOSA-N 1 2 347.418 3.727 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000430149077 1014426304 /nfs/dbraw/zinc/42/63/04/1014426304.db2.gz MQRZTMLALXLLDV-HNNXBMFYSA-N 1 2 342.462 3.624 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000430149077 1014426308 /nfs/dbraw/zinc/42/63/08/1014426308.db2.gz MQRZTMLALXLLDV-HNNXBMFYSA-N 1 2 342.462 3.624 20 0 EHADLO Cc1ccc(C)c(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063790393 1014484863 /nfs/dbraw/zinc/48/48/63/1014484863.db2.gz QZQCXKYKMVYVCQ-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000274681181 1014527017 /nfs/dbraw/zinc/52/70/17/1014527017.db2.gz ZURBXNPUPFEVMZ-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccns1 ZINC000858578281 1014608478 /nfs/dbraw/zinc/60/84/78/1014608478.db2.gz UGWQACJNNIRTDQ-HTQZYQBOSA-N 1 2 330.226 3.852 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000339523550 1014692228 /nfs/dbraw/zinc/69/22/28/1014692228.db2.gz NJVIFBUHOHGMSX-CQSZACIVSA-N 1 2 328.359 3.702 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000045003334 1014737253 /nfs/dbraw/zinc/73/72/53/1014737253.db2.gz PYIOGARHRCBUHR-OAHLLOKOSA-N 1 2 343.448 3.900 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000045003334 1014737266 /nfs/dbraw/zinc/73/72/66/1014737266.db2.gz PYIOGARHRCBUHR-OAHLLOKOSA-N 1 2 343.448 3.900 20 0 EHADLO CCc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000339549604 1014816992 /nfs/dbraw/zinc/81/69/92/1014816992.db2.gz SZRBSCVRRHCPTD-UHFFFAOYSA-N 1 2 330.775 3.637 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000274758688 1014907778 /nfs/dbraw/zinc/90/77/78/1014907778.db2.gz RXGDLQGZPNRRAK-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000274758688 1014907789 /nfs/dbraw/zinc/90/77/89/1014907789.db2.gz RXGDLQGZPNRRAK-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195367 1014940170 /nfs/dbraw/zinc/94/01/70/1014940170.db2.gz QSPDMTVTGAWQIZ-HIFRSBDPSA-N 1 2 344.455 3.780 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195367 1014940175 /nfs/dbraw/zinc/94/01/75/1014940175.db2.gz QSPDMTVTGAWQIZ-HIFRSBDPSA-N 1 2 344.455 3.780 20 0 EHADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@H](C2CCCCC2)C1 ZINC001167068064 1014993097 /nfs/dbraw/zinc/99/30/97/1014993097.db2.gz OARKXFBBSUQEGK-BLGFXRMMSA-N 1 2 328.456 3.983 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc2c(c1)CCCC2=O ZINC000339591895 1015101952 /nfs/dbraw/zinc/10/19/52/1015101952.db2.gz AOLBQXFHPHIODU-UHFFFAOYSA-N 1 2 331.375 3.848 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000683226358 1015142960 /nfs/dbraw/zinc/14/29/60/1015142960.db2.gz FMAIWNQQHOHBTR-GFCCVEGCSA-N 1 2 343.456 3.524 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000655156800 1015152428 /nfs/dbraw/zinc/15/24/28/1015152428.db2.gz OSTDFTBCHSIENX-INIZCTEOSA-N 1 2 327.472 3.836 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000655156800 1015152438 /nfs/dbraw/zinc/15/24/38/1015152438.db2.gz OSTDFTBCHSIENX-INIZCTEOSA-N 1 2 327.472 3.836 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2cccnc2)cn1 ZINC000430248908 1015286971 /nfs/dbraw/zinc/28/69/71/1015286971.db2.gz GWNFTKDWYIGDDI-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2cccnc2)cn1 ZINC000430248908 1015286979 /nfs/dbraw/zinc/28/69/79/1015286979.db2.gz GWNFTKDWYIGDDI-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO c1cn(CCCCNc2cc(SCc3ccccc3)ncn2)c[nH+]1 ZINC000579859173 1015346507 /nfs/dbraw/zinc/34/65/07/1015346507.db2.gz JQWOFYDEFLZAJG-UHFFFAOYSA-N 1 2 339.468 3.858 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)cs1 ZINC000070698511 1015353002 /nfs/dbraw/zinc/35/30/02/1015353002.db2.gz CGWTXOCCCTZMAR-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H](O)c2ccccc2C(F)(F)F)cs1 ZINC000070698511 1015353012 /nfs/dbraw/zinc/35/30/12/1015353012.db2.gz CGWTXOCCCTZMAR-CQSZACIVSA-N 1 2 344.402 3.890 20 0 EHADLO C=Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000683246183 1015349047 /nfs/dbraw/zinc/34/90/47/1015349047.db2.gz XGVQELDUQCAJGH-LJQANCHMSA-N 1 2 331.419 3.777 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000655361079 1015410267 /nfs/dbraw/zinc/41/02/67/1015410267.db2.gz AMEQJNZENOXMSD-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+]3CCC[C@H](C)CC3)c(=S)o2)cs1 ZINC000748084207 1015438509 /nfs/dbraw/zinc/43/85/09/1015438509.db2.gz SIAGRPRGJKDQPJ-NSHDSACASA-N 1 2 338.502 3.641 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+]3CCC[C@H](C)CC3)c(=S)o2)cs1 ZINC000748084207 1015438514 /nfs/dbraw/zinc/43/85/14/1015438514.db2.gz SIAGRPRGJKDQPJ-NSHDSACASA-N 1 2 338.502 3.641 20 0 EHADLO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ncc(Br)s1 ZINC000339680238 1015499166 /nfs/dbraw/zinc/49/91/66/1015499166.db2.gz CKPKGSJTPSXFNU-TUAOUCFPSA-N 1 2 346.338 3.819 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001590603261 990266384 /nfs/dbraw/zinc/26/63/84/990266384.db2.gz WQPLOVOZJCAPFS-GVDBMIGSSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001590603261 990266389 /nfs/dbraw/zinc/26/63/89/990266389.db2.gz WQPLOVOZJCAPFS-GVDBMIGSSA-N 1 2 347.503 3.709 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430266430 1015554084 /nfs/dbraw/zinc/55/40/84/1015554084.db2.gz YABZZNRBLKSMHM-GXTWGEPZSA-N 1 2 340.423 3.860 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430266430 1015554094 /nfs/dbraw/zinc/55/40/94/1015554094.db2.gz YABZZNRBLKSMHM-GXTWGEPZSA-N 1 2 340.423 3.860 20 0 EHADLO c1cn(-c2ccc(CN3Cc4cnn(-c5ccccc5)c4C3)cc2)c[nH+]1 ZINC000339804988 1015684300 /nfs/dbraw/zinc/68/43/00/1015684300.db2.gz VLVWOLMKSOXPFT-UHFFFAOYSA-N 1 2 341.418 3.574 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649512 1015694159 /nfs/dbraw/zinc/69/41/59/1015694159.db2.gz PARWOIIRFSROHP-QFBILLFUSA-N 1 2 325.456 3.560 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649512 1015694164 /nfs/dbraw/zinc/69/41/64/1015694164.db2.gz PARWOIIRFSROHP-QFBILLFUSA-N 1 2 325.456 3.560 20 0 EHADLO O=C1[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)CCCN1c1cccc(F)c1 ZINC000339824093 1015704330 /nfs/dbraw/zinc/70/43/30/1015704330.db2.gz DTMCGZNAGMZRCL-HNNXBMFYSA-N 1 2 342.336 3.516 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)CCCN1c1cccc(F)c1 ZINC000339824093 1015704333 /nfs/dbraw/zinc/70/43/33/1015704333.db2.gz DTMCGZNAGMZRCL-HNNXBMFYSA-N 1 2 342.336 3.516 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134640080 1015708263 /nfs/dbraw/zinc/70/82/63/1015708263.db2.gz SUUKQDPJZVBMCA-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134640080 1015708266 /nfs/dbraw/zinc/70/82/66/1015708266.db2.gz SUUKQDPJZVBMCA-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)OCc1ccccc1 ZINC001167094021 1015721163 /nfs/dbraw/zinc/72/11/63/1015721163.db2.gz ARHMEBRLPVPNBL-UHFFFAOYSA-N 1 2 347.842 3.784 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)OCc1ccccc1 ZINC001167094021 1015721166 /nfs/dbraw/zinc/72/11/66/1015721166.db2.gz ARHMEBRLPVPNBL-UHFFFAOYSA-N 1 2 347.842 3.784 20 0 EHADLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1sccc1Cl ZINC001279372879 1015744063 /nfs/dbraw/zinc/74/40/63/1015744063.db2.gz VKTHRGGYQAHMRT-TXEJJXNPSA-N 1 2 339.917 3.625 20 0 EHADLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1sccc1Cl ZINC001279372879 1015744068 /nfs/dbraw/zinc/74/40/68/1015744068.db2.gz VKTHRGGYQAHMRT-TXEJJXNPSA-N 1 2 339.917 3.625 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000120700542 1015890802 /nfs/dbraw/zinc/89/08/02/1015890802.db2.gz WNSQRHZWCCQTDE-QAPCUYQASA-N 1 2 326.444 3.592 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000154925218 1015948053 /nfs/dbraw/zinc/94/80/53/1015948053.db2.gz KIMIIBRTUYVYDM-ZBFHGGJFSA-N 1 2 331.485 3.927 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000154925218 1015948064 /nfs/dbraw/zinc/94/80/64/1015948064.db2.gz KIMIIBRTUYVYDM-ZBFHGGJFSA-N 1 2 331.485 3.927 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cc5[nH]ccc5s4)n3)[nH+]c12 ZINC000579882689 1015954839 /nfs/dbraw/zinc/95/48/39/1015954839.db2.gz UOYSJQOVISISEF-UHFFFAOYSA-N 1 2 335.392 3.826 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC12CCC2 ZINC000339937728 1015987822 /nfs/dbraw/zinc/98/78/22/1015987822.db2.gz UUKFSSIAUKHDDQ-UHFFFAOYSA-N 1 2 334.423 3.762 20 0 EHADLO Cc1cc2c(nc(Cl)nc2N2CCC(n3cc[nH+]c3)CC2)s1 ZINC001167124254 1016193653 /nfs/dbraw/zinc/19/36/53/1016193653.db2.gz ZTIPAHXQOLQTSL-UHFFFAOYSA-N 1 2 333.848 3.691 20 0 EHADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167125489 1016206006 /nfs/dbraw/zinc/20/60/06/1016206006.db2.gz HPXMOGSUMRPLIW-LBPRGKRZSA-N 1 2 333.867 3.990 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C(C)=O)s3)c2C1 ZINC000340097181 1016283749 /nfs/dbraw/zinc/28/37/49/1016283749.db2.gz LFNVULIESJFCEC-UHFFFAOYSA-N 1 2 328.437 3.929 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C(C)=O)s3)c2C1 ZINC000340097181 1016283759 /nfs/dbraw/zinc/28/37/59/1016283759.db2.gz LFNVULIESJFCEC-UHFFFAOYSA-N 1 2 328.437 3.929 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1O ZINC000155242815 1016351503 /nfs/dbraw/zinc/35/15/03/1016351503.db2.gz YWFXMZBSJVMCQX-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1O ZINC000155242815 1016351518 /nfs/dbraw/zinc/35/15/18/1016351518.db2.gz YWFXMZBSJVMCQX-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683369064 1016380151 /nfs/dbraw/zinc/38/01/51/1016380151.db2.gz UDBDXOWRCCKHAU-UHFFFAOYSA-N 1 2 332.766 3.791 20 0 EHADLO COC(=O)C[N@H+](CCc1cccc(F)c1)Cc1ccc(Cl)cc1 ZINC001167199529 1016554068 /nfs/dbraw/zinc/55/40/68/1016554068.db2.gz QBPZHCSWAJRETB-UHFFFAOYSA-N 1 2 335.806 3.697 20 0 EHADLO COC(=O)C[N@@H+](CCc1cccc(F)c1)Cc1ccc(Cl)cc1 ZINC001167199529 1016554079 /nfs/dbraw/zinc/55/40/79/1016554079.db2.gz QBPZHCSWAJRETB-UHFFFAOYSA-N 1 2 335.806 3.697 20 0 EHADLO COC(=O)C[N@H+](CCC(C)(C)C1CC1)Cc1cc(OC)cc(OC)c1 ZINC001167199803 1016557495 /nfs/dbraw/zinc/55/74/95/1016557495.db2.gz WNJHTRBGFJDFFO-UHFFFAOYSA-N 1 2 349.471 3.505 20 0 EHADLO COC(=O)C[N@@H+](CCC(C)(C)C1CC1)Cc1cc(OC)cc(OC)c1 ZINC001167199803 1016557510 /nfs/dbraw/zinc/55/75/10/1016557510.db2.gz WNJHTRBGFJDFFO-UHFFFAOYSA-N 1 2 349.471 3.505 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cc(F)cc(F)c1 ZINC000613562862 1016579970 /nfs/dbraw/zinc/57/99/70/1016579970.db2.gz DKRSXJDPGWLOKL-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cc(F)cc(F)c1 ZINC000613562862 1016579981 /nfs/dbraw/zinc/57/99/81/1016579981.db2.gz DKRSXJDPGWLOKL-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4CCCC[C@@H]4C3)cn2c1 ZINC000178315447 1016593408 /nfs/dbraw/zinc/59/34/08/1016593408.db2.gz SHUTXILGSZZSCX-IYBDPMFKSA-N 1 2 343.496 3.525 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCSc2ccccc2)c2nnc[nH]2)cc1 ZINC000340181386 1016621569 /nfs/dbraw/zinc/62/15/69/1016621569.db2.gz LCPKBCFOSISNKI-QGZVFWFLSA-N 1 2 342.443 3.805 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cscc2Cl)nc1C1CC1 ZINC000589201641 1016635928 /nfs/dbraw/zinc/63/59/28/1016635928.db2.gz BBWLBMARACQTSO-UHFFFAOYSA-N 1 2 336.844 3.750 20 0 EHADLO c1csc([C@@H]([NH2+]CCCSc2ccccc2)c2nnc[nH]2)c1 ZINC000340184802 1016637772 /nfs/dbraw/zinc/63/77/72/1016637772.db2.gz WEUFUCRTBKYITB-OAHLLOKOSA-N 1 2 330.482 3.728 20 0 EHADLO OC[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000182928867 1032148858 /nfs/dbraw/zinc/14/88/58/1032148858.db2.gz VUDZUEUBVHTQTC-INIZCTEOSA-N 1 2 328.799 3.818 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000459455677 1032150464 /nfs/dbraw/zinc/15/04/64/1032150464.db2.gz OWMQAAGTTVJJIL-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000459455677 1032150473 /nfs/dbraw/zinc/15/04/73/1032150473.db2.gz OWMQAAGTTVJJIL-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955255 1016848675 /nfs/dbraw/zinc/84/86/75/1016848675.db2.gz PMMMSWIQOLZRRM-LPHOPBHVSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955255 1016848685 /nfs/dbraw/zinc/84/86/85/1016848685.db2.gz PMMMSWIQOLZRRM-LPHOPBHVSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@@H](C)c2nccn2-c2ccccc2)c(C)[nH+]1 ZINC000376613046 1016919790 /nfs/dbraw/zinc/91/97/90/1016919790.db2.gz WZXAKRMVTPAVKA-UPCLLVRISA-N 1 2 339.464 3.894 20 0 EHADLO c1oc2ccccc2c1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001203151579 1017026638 /nfs/dbraw/zinc/02/66/38/1017026638.db2.gz CSPCYSNBDOZMEF-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000584354333 1032184073 /nfs/dbraw/zinc/18/40/73/1032184073.db2.gz KJRWFQFCPBHRDO-HNAYVOBHSA-N 1 2 329.419 3.597 20 0 EHADLO C[C@](CO)([NH2+]Cc1ncccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000528385714 1032208141 /nfs/dbraw/zinc/20/81/41/1032208141.db2.gz CSSXVRCWVFEVEL-OAHLLOKOSA-N 1 2 344.764 3.751 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3cc(C)ccc3s2)cc1O ZINC000528401582 1032230474 /nfs/dbraw/zinc/23/04/74/1032230474.db2.gz XFEDJMCMTGUQFC-UHFFFAOYSA-N 1 2 328.437 3.951 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3cc(C)ccc3s2)cc1O ZINC000528401582 1032230481 /nfs/dbraw/zinc/23/04/81/1032230481.db2.gz XFEDJMCMTGUQFC-UHFFFAOYSA-N 1 2 328.437 3.951 20 0 EHADLO COc1ccc(CCNc2[nH+]c(C)nc3[nH]ccc32)cc1OC(F)F ZINC000080976287 1032233994 /nfs/dbraw/zinc/23/39/94/1032233994.db2.gz QNYKBUBYBDFNAP-UHFFFAOYSA-N 1 2 348.353 3.531 20 0 EHADLO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183858174 1032234076 /nfs/dbraw/zinc/23/40/76/1032234076.db2.gz NBCQWTGTHVKQST-QGZVFWFLSA-N 1 2 340.471 3.741 20 0 EHADLO c1nc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)oc1-c1ccccc1 ZINC000538232246 1032238523 /nfs/dbraw/zinc/23/85/23/1032238523.db2.gz VXMJBVDKIFFQHW-UHFFFAOYSA-N 1 2 334.375 3.849 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nc(C3CCCCC3)no2)[C@H]1SC ZINC000459524534 1032243811 /nfs/dbraw/zinc/24/38/11/1032243811.db2.gz NQZOELNJWYHIEE-FAAHXZRKSA-N 1 2 339.505 3.677 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000183949778 1032246996 /nfs/dbraw/zinc/24/69/96/1032246996.db2.gz UHYSKJBQCOQMEU-NSHDSACASA-N 1 2 335.498 3.614 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000183949778 1032247010 /nfs/dbraw/zinc/24/70/10/1032247010.db2.gz UHYSKJBQCOQMEU-NSHDSACASA-N 1 2 335.498 3.614 20 0 EHADLO Cc1[nH+]cc(CNc2cccc3c2OCC[C@H]3O)n1-c1ccccc1 ZINC000184078282 1032248784 /nfs/dbraw/zinc/24/87/84/1032248784.db2.gz SZFQEPYMJAIGOO-LJQANCHMSA-N 1 2 335.407 3.609 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184125710 1032256502 /nfs/dbraw/zinc/25/65/02/1032256502.db2.gz KMLXHIMIDBHDRA-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO CCn1nncc1C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000459539322 1032258660 /nfs/dbraw/zinc/25/86/60/1032258660.db2.gz SYRGUMDZLMPQLG-HNNXBMFYSA-N 1 2 325.243 3.846 20 0 EHADLO COc1cc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 ZINC000659822346 1017077973 /nfs/dbraw/zinc/07/79/73/1017077973.db2.gz RNEPBHALHUBMQH-UHFFFAOYSA-N 1 2 326.318 3.867 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 ZINC000659822346 1017077985 /nfs/dbraw/zinc/07/79/85/1017077985.db2.gz RNEPBHALHUBMQH-UHFFFAOYSA-N 1 2 326.318 3.867 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000184180877 1032261924 /nfs/dbraw/zinc/26/19/24/1032261924.db2.gz XXYNSSABFBEPLT-AAEUAGOBSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000538271136 1032261925 /nfs/dbraw/zinc/26/19/25/1032261925.db2.gz LWUHLXMVNKHDTJ-UHFFFAOYSA-N 1 2 346.500 3.858 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116848 1032264335 /nfs/dbraw/zinc/26/43/35/1032264335.db2.gz XRCXHLYJZCWFLG-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116848 1032264348 /nfs/dbraw/zinc/26/43/48/1032264348.db2.gz XRCXHLYJZCWFLG-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)co1 ZINC000528426116 1032281121 /nfs/dbraw/zinc/28/11/21/1032281121.db2.gz CYBIMJLFFHCLSB-SFHVURJKSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)co1 ZINC000528426116 1032281136 /nfs/dbraw/zinc/28/11/36/1032281136.db2.gz CYBIMJLFFHCLSB-SFHVURJKSA-N 1 2 347.480 3.670 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)CCCc2cccnc2)c(C)[nH+]1 ZINC000459583374 1032283948 /nfs/dbraw/zinc/28/39/48/1032283948.db2.gz PETDSALCWSGEBR-AWEZNQCLSA-N 1 2 326.444 3.935 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528447916 1032290020 /nfs/dbraw/zinc/29/00/20/1032290020.db2.gz IRUYQYCGUZJBMP-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c(C)c[nH+]1 ZINC000538328487 1032300566 /nfs/dbraw/zinc/30/05/66/1032300566.db2.gz ZHLCCEVTSOTRIQ-OAHLLOKOSA-N 1 2 345.830 3.809 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000184598026 1032301550 /nfs/dbraw/zinc/30/15/50/1032301550.db2.gz HRNSXPPQWMUIPU-CQSZACIVSA-N 1 2 335.904 3.718 20 0 EHADLO CC1(C)Cc2ccsc2C[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000459578732 1032302476 /nfs/dbraw/zinc/30/24/76/1032302476.db2.gz IVUMFWMLGHOTOF-UHFFFAOYSA-N 1 2 349.521 3.749 20 0 EHADLO CC1(C)Cc2ccsc2C[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000459578732 1032302478 /nfs/dbraw/zinc/30/24/78/1032302478.db2.gz IVUMFWMLGHOTOF-UHFFFAOYSA-N 1 2 349.521 3.749 20 0 EHADLO CCOC1C[NH+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000459612021 1032306834 /nfs/dbraw/zinc/30/68/34/1032306834.db2.gz TXHNNEKWQYOHBC-UHFFFAOYSA-N 1 2 343.471 3.534 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184604055 1032308678 /nfs/dbraw/zinc/30/86/78/1032308678.db2.gz ZJWPTAIXMZRIMU-MRXNPFEDSA-N 1 2 345.512 3.809 20 0 EHADLO CC1(C)CC(C[NH2+][C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000528453468 1032327508 /nfs/dbraw/zinc/32/75/08/1032327508.db2.gz OEEPQTMIFXIOAR-AWEZNQCLSA-N 1 2 338.377 3.939 20 0 EHADLO CN(C)C(=O)CC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449235641 1032328164 /nfs/dbraw/zinc/32/81/64/1032328164.db2.gz VFWAKHOOGOVUNP-UHFFFAOYSA-N 1 2 335.300 3.745 20 0 EHADLO C[C@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000528481001 1032331278 /nfs/dbraw/zinc/33/12/78/1032331278.db2.gz JLCOHBSVWUUZGE-VIFPVBQESA-N 1 2 348.251 3.841 20 0 EHADLO C[C@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000528465240 1032332219 /nfs/dbraw/zinc/33/22/19/1032332219.db2.gz OFLZDOSJUUJZHW-VIFPVBQESA-N 1 2 348.251 3.841 20 0 EHADLO COc1cc2ccccc2cc1CNc1ccc[nH+]c1N1CCOCC1 ZINC000449219165 1032336277 /nfs/dbraw/zinc/33/62/77/1032336277.db2.gz CKVPPTCBJFUISB-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO COc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1SC ZINC000459647823 1032369466 /nfs/dbraw/zinc/36/94/66/1032369466.db2.gz GHHABTACBFOZPW-LBPRGKRZSA-N 1 2 346.456 3.552 20 0 EHADLO COc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000185229311 1032371699 /nfs/dbraw/zinc/37/16/99/1032371699.db2.gz HVLQKDWBFWWAHS-CQSZACIVSA-N 1 2 345.468 3.667 20 0 EHADLO COc1ccc[nH+]c1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000538463820 1032391413 /nfs/dbraw/zinc/39/14/13/1032391413.db2.gz GXJIPLPDUJINBP-UHFFFAOYSA-N 1 2 341.392 3.555 20 0 EHADLO CC[C@@](O)(C[NH2+][C@@H](c1ccco1)c1ccccc1OC)C(F)(F)F ZINC000905259356 1032395194 /nfs/dbraw/zinc/39/51/94/1032395194.db2.gz DSTKAEKJWWIYLL-HZPDHXFCSA-N 1 2 343.345 3.671 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc2c(c1)CCCO2 ZINC000666132172 1032395443 /nfs/dbraw/zinc/39/54/43/1032395443.db2.gz RYEMCZDENFSQNV-CYBMUJFWSA-N 1 2 336.395 3.542 20 0 EHADLO CN(C)Cc1cnc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000459665207 1032395511 /nfs/dbraw/zinc/39/55/11/1032395511.db2.gz JXJJGVRKAWKFHL-BXUZGUMPSA-N 1 2 339.867 3.643 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672096 1032400625 /nfs/dbraw/zinc/40/06/25/1032400625.db2.gz XDUMDTZGYTZYQK-JQWIXIFHSA-N 1 2 349.422 3.589 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672096 1032400634 /nfs/dbraw/zinc/40/06/34/1032400634.db2.gz XDUMDTZGYTZYQK-JQWIXIFHSA-N 1 2 349.422 3.589 20 0 EHADLO COc1nccnc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000449285290 1032404767 /nfs/dbraw/zinc/40/47/67/1032404767.db2.gz CXBDCTSMWPLTJS-CYBMUJFWSA-N 1 2 325.334 3.577 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000118879609 1032429257 /nfs/dbraw/zinc/42/92/57/1032429257.db2.gz JUHNFBOQZVHDJC-UHFFFAOYSA-N 1 2 346.365 3.741 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(OC)c2)C[C@@H](C)[S@]1=O ZINC000449320502 1032451375 /nfs/dbraw/zinc/45/13/75/1032451375.db2.gz JETJCIWUDZOKGV-KFOHMRLHSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(OC)c2)C[C@@H](C)[S@]1=O ZINC000449320502 1032451378 /nfs/dbraw/zinc/45/13/78/1032451378.db2.gz JETJCIWUDZOKGV-KFOHMRLHSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(OC)c2)C[C@H](C)[S@@]1=O ZINC000449320501 1032452276 /nfs/dbraw/zinc/45/22/76/1032452276.db2.gz JETJCIWUDZOKGV-KNUWZQJKSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(OC)c2)C[C@H](C)[S@@]1=O ZINC000449320501 1032452279 /nfs/dbraw/zinc/45/22/79/1032452279.db2.gz JETJCIWUDZOKGV-KNUWZQJKSA-N 1 2 331.481 3.580 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000449367159 1032481246 /nfs/dbraw/zinc/48/12/46/1032481246.db2.gz ZRROCTBEUUBXJU-YIZRAAEISA-N 1 2 329.288 3.980 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000449367159 1032481250 /nfs/dbraw/zinc/48/12/50/1032481250.db2.gz ZRROCTBEUUBXJU-YIZRAAEISA-N 1 2 329.288 3.980 20 0 EHADLO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000537024457 1032490036 /nfs/dbraw/zinc/49/00/36/1032490036.db2.gz LYMAOWWGZHYEJC-LLVKDONJSA-N 1 2 336.407 3.976 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021256 1032487259 /nfs/dbraw/zinc/48/72/59/1032487259.db2.gz NMAOFLIJDZBEJI-CABCVRRESA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021256 1032487265 /nfs/dbraw/zinc/48/72/65/1032487265.db2.gz NMAOFLIJDZBEJI-CABCVRRESA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021256 1032487271 /nfs/dbraw/zinc/48/72/71/1032487271.db2.gz NMAOFLIJDZBEJI-CABCVRRESA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021256 1032487279 /nfs/dbraw/zinc/48/72/79/1032487279.db2.gz NMAOFLIJDZBEJI-CABCVRRESA-N 1 2 343.471 3.781 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 ZINC000655621739 1017309906 /nfs/dbraw/zinc/30/99/06/1017309906.db2.gz SZRYZCNMTPASEE-FXAWDEMLSA-N 1 2 338.455 3.502 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H](C)c1ccco1 ZINC000528622796 1032503236 /nfs/dbraw/zinc/50/32/36/1032503236.db2.gz HSKPDCZTMIXYDK-INIZCTEOSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cc(NC[C@@H](C)c2nc(-c3ccccc3)no2)nc(C2CC2)[nH+]1 ZINC000089641184 1032535211 /nfs/dbraw/zinc/53/52/11/1032535211.db2.gz XPXBLMJSYHGYFN-GFCCVEGCSA-N 1 2 335.411 3.928 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000449423535 1032536127 /nfs/dbraw/zinc/53/61/27/1032536127.db2.gz OBYSYEBIVBKKRS-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000449423535 1032536136 /nfs/dbraw/zinc/53/61/36/1032536136.db2.gz OBYSYEBIVBKKRS-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000449424841 1032537494 /nfs/dbraw/zinc/53/74/94/1032537494.db2.gz PJENVTIEPUTVQS-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000449424841 1032537500 /nfs/dbraw/zinc/53/75/00/1032537500.db2.gz PJENVTIEPUTVQS-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cs1 ZINC000449438595 1032581621 /nfs/dbraw/zinc/58/16/21/1032581621.db2.gz QWNZLQNBNCPORV-AWEZNQCLSA-N 1 2 330.375 3.684 20 0 EHADLO Brc1ccc([C@H]([NH2+]Cc2csnn2)C2CCC2)cc1 ZINC000537256044 1032584139 /nfs/dbraw/zinc/58/41/39/1032584139.db2.gz OVBLAFUDVBQBEY-CQSZACIVSA-N 1 2 338.274 3.932 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]2C(C)C)c(C)c1 ZINC000537278397 1032590066 /nfs/dbraw/zinc/59/00/66/1032590066.db2.gz DXYZFFFHLOWKIW-MOPGFXCFSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)[nH+]c12 ZINC000606217742 1032595135 /nfs/dbraw/zinc/59/51/35/1032595135.db2.gz WWISKOPWHAZRAY-ROUUACIJSA-N 1 2 347.462 3.898 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)[nH+]c12 ZINC000606217741 1032595758 /nfs/dbraw/zinc/59/57/58/1032595758.db2.gz WWISKOPWHAZRAY-QZTJIDSGSA-N 1 2 347.462 3.898 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000602081944 1032616892 /nfs/dbraw/zinc/61/68/92/1032616892.db2.gz YVBDFVWPWMIYDN-NRFANRHFSA-N 1 2 347.462 3.817 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000606293097 1032617074 /nfs/dbraw/zinc/61/70/74/1032617074.db2.gz KZBLYYJHHWLVHU-KRWDZBQOSA-N 1 2 335.451 3.583 20 0 EHADLO Cc1sc(NC(=O)[C@H]2CCCC[N@H+]2C)nc1-c1ccc(F)cc1 ZINC000606356083 1032632813 /nfs/dbraw/zinc/63/28/13/1032632813.db2.gz NWHZOBMIHDFFOC-CQSZACIVSA-N 1 2 333.432 3.680 20 0 EHADLO Cc1sc(NC(=O)[C@H]2CCCC[N@@H+]2C)nc1-c1ccc(F)cc1 ZINC000606356083 1032632819 /nfs/dbraw/zinc/63/28/19/1032632819.db2.gz NWHZOBMIHDFFOC-CQSZACIVSA-N 1 2 333.432 3.680 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3[C@@H](C)CCC3(C)C)cn2c1 ZINC000597752991 1032649729 /nfs/dbraw/zinc/64/97/29/1032649729.db2.gz LGWPCTMVVVRWOR-AWEZNQCLSA-N 1 2 331.485 3.665 20 0 EHADLO OC[C@@H]1C=C[C@H]([N@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349084 1032656233 /nfs/dbraw/zinc/65/62/33/1032656233.db2.gz VDGFZBWCKQOCJZ-HIFRSBDPSA-N 1 2 334.872 3.736 20 0 EHADLO OC[C@@H]1C=C[C@H]([N@@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349084 1032656247 /nfs/dbraw/zinc/65/62/47/1032656247.db2.gz VDGFZBWCKQOCJZ-HIFRSBDPSA-N 1 2 334.872 3.736 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(C)c3)CC2)s1 ZINC000606395198 1032671647 /nfs/dbraw/zinc/67/16/47/1032671647.db2.gz PTYQRQZWKBVKHZ-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000593047001 1032680933 /nfs/dbraw/zinc/68/09/33/1032680933.db2.gz QRGPQJDOGCSPQW-LBPRGKRZSA-N 1 2 349.818 3.692 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449502823 1032682429 /nfs/dbraw/zinc/68/24/29/1032682429.db2.gz PCHPXCYJLKGBCV-NOZJJQNGSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449502823 1032682439 /nfs/dbraw/zinc/68/24/39/1032682439.db2.gz PCHPXCYJLKGBCV-NOZJJQNGSA-N 1 2 334.204 3.584 20 0 EHADLO Cc1csc(C[NH2+]Cc2ccccc2OCc2ccncc2)n1 ZINC000340391744 1017167435 /nfs/dbraw/zinc/16/74/35/1017167435.db2.gz VOEBLTHSSPKZIV-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2s1 ZINC000683461808 1017229092 /nfs/dbraw/zinc/22/90/92/1017229092.db2.gz MEDUYNDDDCPVMS-UHFFFAOYSA-N 1 2 334.832 3.589 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(Br)c1 ZINC000340405567 1017405483 /nfs/dbraw/zinc/40/54/83/1017405483.db2.gz QBDJUMJOXNIOEW-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(Br)c1 ZINC000340405567 1017405488 /nfs/dbraw/zinc/40/54/88/1017405488.db2.gz QBDJUMJOXNIOEW-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO CCC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000046616962 1017436483 /nfs/dbraw/zinc/43/64/83/1017436483.db2.gz JSYWYVSJQDJIMA-IBGZPJMESA-N 1 2 337.467 3.751 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000892795403 1017452978 /nfs/dbraw/zinc/45/29/78/1017452978.db2.gz KOEJIVBOJSVGJO-HNNXBMFYSA-N 1 2 334.851 3.604 20 0 EHADLO CC(C)O[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000340408194 1017474441 /nfs/dbraw/zinc/47/44/41/1017474441.db2.gz HBAYTFCDPVWKMD-FQEVSTJZSA-N 1 2 349.434 3.655 20 0 EHADLO Brc1c2ccccc2oc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000655748753 1017516754 /nfs/dbraw/zinc/51/67/54/1017516754.db2.gz IGCYKJITJBLOLY-LLVKDONJSA-N 1 2 346.228 3.566 20 0 EHADLO Cc1cc(N[C@H]2CCCn3ccnc32)c[nH+]c1N1CCCC[C@H]1C ZINC000655750667 1017539522 /nfs/dbraw/zinc/53/95/22/1017539522.db2.gz DXOLPSHHJMIASQ-WBVHZDCISA-N 1 2 325.460 3.912 20 0 EHADLO c1ccc(C[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc2)cc1 ZINC000655795397 1017628481 /nfs/dbraw/zinc/62/84/81/1017628481.db2.gz BCAWERFNZDQXPO-RBUKOAKNSA-N 1 2 348.450 3.730 20 0 EHADLO Clc1ccc([C@@H]2CC[C@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)cc1 ZINC000655796270 1017630197 /nfs/dbraw/zinc/63/01/97/1017630197.db2.gz DULOSMGCOXYBNQ-VNQPRFMTSA-N 1 2 346.862 3.736 20 0 EHADLO Clc1cccc([C@@H]2CC[C@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)c1 ZINC000655797700 1017633879 /nfs/dbraw/zinc/63/38/79/1017633879.db2.gz RRKAUEJFNXEUSE-KBMXLJTQSA-N 1 2 346.862 3.736 20 0 EHADLO c1ccc(-c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)cc2)cc1 ZINC000655820118 1017697034 /nfs/dbraw/zinc/69/70/34/1017697034.db2.gz RPKASZQAMRCWEQ-SFHVURJKSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1COC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000091689873 1032717998 /nfs/dbraw/zinc/71/79/98/1032717998.db2.gz MNMDKKSVMRVNGZ-UHFFFAOYSA-N 1 2 341.455 3.596 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ncc(Br)cn1 ZINC000340425133 1017737414 /nfs/dbraw/zinc/73/74/14/1017737414.db2.gz LPKYFTRFMUPGHF-YMTOWFKASA-N 1 2 336.208 3.716 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000574098561 1032719782 /nfs/dbraw/zinc/71/97/82/1032719782.db2.gz QLQLUGSWUBTRBC-KUHUBIRLSA-N 1 2 336.439 3.823 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000574098561 1032719798 /nfs/dbraw/zinc/71/97/98/1032719798.db2.gz QLQLUGSWUBTRBC-KUHUBIRLSA-N 1 2 336.439 3.823 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000574097993 1032720530 /nfs/dbraw/zinc/72/05/30/1032720530.db2.gz GVYKJMSRNCYFQV-VCBZYWHSSA-N 1 2 325.456 3.632 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000574097993 1032720538 /nfs/dbraw/zinc/72/05/38/1032720538.db2.gz GVYKJMSRNCYFQV-VCBZYWHSSA-N 1 2 325.456 3.632 20 0 EHADLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000174145597 1017769232 /nfs/dbraw/zinc/76/92/32/1017769232.db2.gz BECLHMKOPCTNNC-JTQLQIEISA-N 1 2 336.823 3.613 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)cn1 ZINC000340437705 1017800008 /nfs/dbraw/zinc/80/00/08/1017800008.db2.gz WNPVBNWAWCDORK-UWVGGRQHSA-N 1 2 339.773 3.691 20 0 EHADLO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892945472 1017858934 /nfs/dbraw/zinc/85/89/34/1017858934.db2.gz ZJMNZPMYZXRTLH-HXUWFJFHSA-N 1 2 348.450 3.502 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000066792293 1017915357 /nfs/dbraw/zinc/91/53/57/1017915357.db2.gz MSLLXUQFWIHRHC-HXUWFJFHSA-N 1 2 349.409 3.844 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000066792293 1017915366 /nfs/dbraw/zinc/91/53/66/1017915366.db2.gz MSLLXUQFWIHRHC-HXUWFJFHSA-N 1 2 349.409 3.844 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Br)ccc2C)s1 ZINC000314196599 1017916365 /nfs/dbraw/zinc/91/63/65/1017916365.db2.gz LPCGJSHHEWKTAV-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(Br)cn2)n1-c1ccccc1 ZINC000172808640 1032734006 /nfs/dbraw/zinc/73/40/06/1032734006.db2.gz KHBYLSNZZLGNGT-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO Cc1cc([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)ccc1N1CCOCC1 ZINC001167717952 1017989281 /nfs/dbraw/zinc/98/92/81/1017989281.db2.gz HQGSEPLYQZWLFB-UHFFFAOYSA-N 1 2 347.503 3.654 20 0 EHADLO CC(C)(c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000784988391 1018066246 /nfs/dbraw/zinc/06/62/46/1018066246.db2.gz JCKKJIVCEAFGLD-UHFFFAOYSA-N 1 2 340.345 3.970 20 0 EHADLO Clc1ccc(/C=C\C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000511526637 1018067611 /nfs/dbraw/zinc/06/76/11/1018067611.db2.gz PWOSDITVSYJNBW-UPHRSURJSA-N 1 2 333.888 3.628 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2ccco2)n(C)c1=S)c1ccccc1 ZINC000066795482 1018078478 /nfs/dbraw/zinc/07/84/78/1018078478.db2.gz GJRDVBDYLLATSZ-CQSZACIVSA-N 1 2 342.468 3.904 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2ccco2)n(C)c1=S)c1ccccc1 ZINC000066795482 1018078489 /nfs/dbraw/zinc/07/84/89/1018078489.db2.gz GJRDVBDYLLATSZ-CQSZACIVSA-N 1 2 342.468 3.904 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3cn(C(C)C)nn3)CC2)cc1C ZINC000377628280 1018089460 /nfs/dbraw/zinc/08/94/60/1018089460.db2.gz QVCAQUUFWACPJR-UHFFFAOYSA-N 1 2 328.460 3.519 20 0 EHADLO C[C@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255076991 1018104783 /nfs/dbraw/zinc/10/47/83/1018104783.db2.gz AJODVRAARLEXQS-JXMNSVBMSA-N 1 2 347.418 3.811 20 0 EHADLO Fc1cc2c(cc1Br)CC[N@H+](CCc1ccccn1)C2 ZINC000932796579 1018111507 /nfs/dbraw/zinc/11/15/07/1018111507.db2.gz YXGUPQQCNZHMBG-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO Fc1cc2c(cc1Br)CC[N@@H+](CCc1ccccn1)C2 ZINC000932796579 1018111513 /nfs/dbraw/zinc/11/15/13/1018111513.db2.gz YXGUPQQCNZHMBG-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000472822335 1018116897 /nfs/dbraw/zinc/11/68/97/1018116897.db2.gz GOQUALRDVCJQJF-QGZVFWFLSA-N 1 2 333.453 3.599 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000472822335 1018116907 /nfs/dbraw/zinc/11/69/07/1018116907.db2.gz GOQUALRDVCJQJF-QGZVFWFLSA-N 1 2 333.453 3.599 20 0 EHADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962131 1032744981 /nfs/dbraw/zinc/74/49/81/1032744981.db2.gz XYZHTLOTSSHVTK-HNAYVOBHSA-N 1 2 344.528 3.579 20 0 EHADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962131 1032745000 /nfs/dbraw/zinc/74/50/00/1032745000.db2.gz XYZHTLOTSSHVTK-HNAYVOBHSA-N 1 2 344.528 3.579 20 0 EHADLO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)o1 ZINC000893014748 1018151730 /nfs/dbraw/zinc/15/17/30/1018151730.db2.gz XOOAIWKSEZPDGC-NSHDSACASA-N 1 2 327.783 3.948 20 0 EHADLO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)c2ccccc21 ZINC000340500998 1018156976 /nfs/dbraw/zinc/15/69/76/1018156976.db2.gz TVWJDFPJJPSQMJ-LSTHTHJFSA-N 1 2 347.466 3.806 20 0 EHADLO O=C(CSc1ccc(F)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514956 1018209582 /nfs/dbraw/zinc/20/95/82/1018209582.db2.gz NLBIMVGDCAOMKI-UHFFFAOYSA-N 1 2 327.384 3.742 20 0 EHADLO FC(F)(F)c1ncc(C[NH+]2CCC(c3ccncc3)CC2)s1 ZINC000377699842 1018215607 /nfs/dbraw/zinc/21/56/07/1018215607.db2.gz NWXXDXNHQQVLTM-UHFFFAOYSA-N 1 2 327.375 3.937 20 0 EHADLO Cc1nc2[nH]ccc2c(NC2CCC(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000091982700 1032750282 /nfs/dbraw/zinc/75/02/82/1032750282.db2.gz UXEMFMFVVGLLHT-UHFFFAOYSA-N 1 2 330.432 3.579 20 0 EHADLO CC[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412640222 1018236811 /nfs/dbraw/zinc/23/68/11/1018236811.db2.gz UXWANQBQASFPLM-LBPRGKRZSA-N 1 2 325.334 3.581 20 0 EHADLO c1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]2CCCO2)cc1 ZINC000053230097 1018305426 /nfs/dbraw/zinc/30/54/26/1018305426.db2.gz QFLGRKGBKYFUEG-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO c1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]2CCCO2)cc1 ZINC000053230097 1018305436 /nfs/dbraw/zinc/30/54/36/1018305436.db2.gz QFLGRKGBKYFUEG-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000092040165 1032755600 /nfs/dbraw/zinc/75/56/00/1032755600.db2.gz UCGJMNRGTFYYAG-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2s1)c1ccco1 ZINC000092040165 1032755617 /nfs/dbraw/zinc/75/56/17/1032755617.db2.gz UCGJMNRGTFYYAG-WBVHZDCISA-N 1 2 343.448 3.819 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2c3c(cccc31)CC2 ZINC000651040707 1018323472 /nfs/dbraw/zinc/32/34/72/1018323472.db2.gz AIPCAPXKPFXOLG-UHFFFAOYSA-N 1 2 331.419 3.652 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000377766044 1018334864 /nfs/dbraw/zinc/33/48/64/1018334864.db2.gz KAMJHELUIFLCTJ-RBUKOAKNSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000377766044 1018334874 /nfs/dbraw/zinc/33/48/74/1018334874.db2.gz KAMJHELUIFLCTJ-RBUKOAKNSA-N 1 2 341.430 3.545 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000042511298 1018335689 /nfs/dbraw/zinc/33/56/89/1018335689.db2.gz LLKFQOVLYMIMQQ-ZDUSSCGKSA-N 1 2 337.876 3.614 20 0 EHADLO CCN(C(=O)C1CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000377794075 1018386675 /nfs/dbraw/zinc/38/66/75/1018386675.db2.gz WWIXBHIQXJNCMW-UHFFFAOYSA-N 1 2 344.503 3.526 20 0 EHADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc2ccccc2s1 ZINC000053266854 1018398235 /nfs/dbraw/zinc/39/82/35/1018398235.db2.gz BWXODFIBOCRBOL-UHFFFAOYSA-N 1 2 342.489 3.751 20 0 EHADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc2ccccc2s1 ZINC000053266854 1018398241 /nfs/dbraw/zinc/39/82/41/1018398241.db2.gz BWXODFIBOCRBOL-UHFFFAOYSA-N 1 2 342.489 3.751 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000606633212 1032761531 /nfs/dbraw/zinc/76/15/31/1032761531.db2.gz KKEAJACSIIFFEA-SJLPKXTDSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000584538906 1018417470 /nfs/dbraw/zinc/41/74/70/1018417470.db2.gz DHZWJROAPZHBQP-CYBMUJFWSA-N 1 2 347.409 3.842 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000584538906 1018417477 /nfs/dbraw/zinc/41/74/77/1018417477.db2.gz DHZWJROAPZHBQP-CYBMUJFWSA-N 1 2 347.409 3.842 20 0 EHADLO C[C@H](O)c1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001210641618 1018500170 /nfs/dbraw/zinc/50/01/70/1018500170.db2.gz IAYMKTNAWQAHRL-JTQLQIEISA-N 1 2 332.201 3.894 20 0 EHADLO CCCc1nc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131906 1018519678 /nfs/dbraw/zinc/51/96/78/1018519678.db2.gz UJEKBMMWZJKFJG-VQIMIIECSA-N 1 2 329.444 3.622 20 0 EHADLO CCCc1nc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131906 1018519691 /nfs/dbraw/zinc/51/96/91/1018519691.db2.gz UJEKBMMWZJKFJG-VQIMIIECSA-N 1 2 329.444 3.622 20 0 EHADLO CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583977 1032769955 /nfs/dbraw/zinc/76/99/55/1032769955.db2.gz VUIXZSMFVYODFM-UHFFFAOYSA-N 1 2 326.375 3.916 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(SC)cc1)C2 ZINC000610369218 1018537337 /nfs/dbraw/zinc/53/73/37/1018537337.db2.gz VWPBMXAZBYCEMC-UHFFFAOYSA-N 1 2 343.448 3.590 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(SC)cc1)C2 ZINC000610369218 1018537348 /nfs/dbraw/zinc/53/73/48/1018537348.db2.gz VWPBMXAZBYCEMC-UHFFFAOYSA-N 1 2 343.448 3.590 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Oc2ccccc2F)nc1 ZINC000683789751 1018577863 /nfs/dbraw/zinc/57/78/63/1018577863.db2.gz KFCKNWIRVVLZAA-UHFFFAOYSA-N 1 2 340.358 3.628 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4ncoc4C4CC4)n3)c2)c[nH+]1 ZINC000340585435 1018593053 /nfs/dbraw/zinc/59/30/53/1018593053.db2.gz UIQWQHRMVBLCEM-UHFFFAOYSA-N 1 2 333.351 3.514 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C\c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000255094830 1018594450 /nfs/dbraw/zinc/59/44/50/1018594450.db2.gz YCWCEOMFTOBUIR-FNTLJNMXSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000528768246 1032775642 /nfs/dbraw/zinc/77/56/42/1032775642.db2.gz OJKNIEUQOXMHPD-SECBINFHSA-N 1 2 348.187 3.797 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000528768246 1032775654 /nfs/dbraw/zinc/77/56/54/1032775654.db2.gz OJKNIEUQOXMHPD-SECBINFHSA-N 1 2 348.187 3.797 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\SCc2ccco2)c1C ZINC000255111196 1018646821 /nfs/dbraw/zinc/64/68/21/1018646821.db2.gz ULYYSVMKFUQXSO-CLFYSBASSA-N 1 2 346.452 3.706 20 0 EHADLO COc1cc(Nc2ccc(Br)nc2Cl)cc(C)[nH+]1 ZINC001210776029 1018659502 /nfs/dbraw/zinc/65/95/02/1018659502.db2.gz LABGBGGAOMROPD-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO O=C(c1cccc2[nH]ccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255169371 1018774208 /nfs/dbraw/zinc/77/42/08/1018774208.db2.gz VEAUZHUKQUNWTR-YVMONPNESA-N 1 2 345.446 3.639 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000593124608 1032781566 /nfs/dbraw/zinc/78/15/66/1032781566.db2.gz TXNLSBFWCRURFX-MRXNPFEDSA-N 1 2 346.475 3.564 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000593124608 1032781587 /nfs/dbraw/zinc/78/15/87/1032781587.db2.gz TXNLSBFWCRURFX-MRXNPFEDSA-N 1 2 346.475 3.564 20 0 EHADLO CCOC(=O)N1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728288059 1018790485 /nfs/dbraw/zinc/79/04/85/1018790485.db2.gz XVCMPANCSKUPCE-GFCCVEGCSA-N 1 2 330.350 3.541 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213242 1018797321 /nfs/dbraw/zinc/79/73/21/1018797321.db2.gz KWIDGXOJNJTANP-HUUCEWRRSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213242 1018797335 /nfs/dbraw/zinc/79/73/35/1018797335.db2.gz KWIDGXOJNJTANP-HUUCEWRRSA-N 1 2 343.858 3.860 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000092510250 1032787963 /nfs/dbraw/zinc/78/79/63/1032787963.db2.gz GSKCNZLBMRWUJU-KRWDZBQOSA-N 1 2 343.496 3.643 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000092510250 1032787977 /nfs/dbraw/zinc/78/79/77/1032787977.db2.gz GSKCNZLBMRWUJU-KRWDZBQOSA-N 1 2 343.496 3.643 20 0 EHADLO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000340617350 1018860271 /nfs/dbraw/zinc/86/02/71/1018860271.db2.gz NPDXQJLGGBZRPJ-CQSZACIVSA-N 1 2 349.390 3.590 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2ccc(OC)cc2Br)o1 ZINC000291823473 1018947886 /nfs/dbraw/zinc/94/78/86/1018947886.db2.gz SFXWFHVFGQXNHN-UHFFFAOYSA-N 1 2 339.233 3.606 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCSC[C@H]2C2CCC2)nc2ccc(Cl)cc12 ZINC000419373051 1018965713 /nfs/dbraw/zinc/96/57/13/1018965713.db2.gz MAOPEUZLHDFPHP-HNNXBMFYSA-N 1 2 349.887 3.706 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCSC[C@H]2C2CCC2)nc2ccc(Cl)cc12 ZINC000419373051 1018965722 /nfs/dbraw/zinc/96/57/22/1018965722.db2.gz MAOPEUZLHDFPHP-HNNXBMFYSA-N 1 2 349.887 3.706 20 0 EHADLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2n1C ZINC000175926158 1018997118 /nfs/dbraw/zinc/99/71/18/1018997118.db2.gz IAPRKKDXZPKLGD-CQSZACIVSA-N 1 2 346.390 3.677 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCCOCC1 ZINC000344190338 1019004173 /nfs/dbraw/zinc/00/41/73/1019004173.db2.gz QPSRTFAGJSAJOO-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCCOCC1 ZINC000344190338 1019004188 /nfs/dbraw/zinc/00/41/88/1019004188.db2.gz QPSRTFAGJSAJOO-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC000655340623 1019012014 /nfs/dbraw/zinc/01/20/14/1019012014.db2.gz FESRBICYFHIQNT-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(C)[nH+]1 ZINC000408463651 1019041517 /nfs/dbraw/zinc/04/15/17/1019041517.db2.gz GNEKUCSESHRJHJ-QRVDHSFSSA-N 1 2 345.487 3.800 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000340649806 1019078975 /nfs/dbraw/zinc/07/89/75/1019078975.db2.gz FKFNVVDMVIMAIG-UHFFFAOYSA-N 1 2 338.430 3.647 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000340649806 1019078989 /nfs/dbraw/zinc/07/89/89/1019078989.db2.gz FKFNVVDMVIMAIG-UHFFFAOYSA-N 1 2 338.430 3.647 20 0 EHADLO CO[C@H](CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)[C@@H]1CCOC1 ZINC000664158569 1019107093 /nfs/dbraw/zinc/10/70/93/1019107093.db2.gz VOKQCWAYPXCZOP-IUODEOHRSA-N 1 2 340.345 3.717 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+](CCO)Cc1cccnc1 ZINC000155693635 1019115479 /nfs/dbraw/zinc/11/54/79/1019115479.db2.gz FTCYEIKNMBNZDV-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](CCO)Cc1cccnc1 ZINC000155693635 1019115485 /nfs/dbraw/zinc/11/54/85/1019115485.db2.gz FTCYEIKNMBNZDV-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO COC(=O)c1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000052685764 1019192218 /nfs/dbraw/zinc/19/22/18/1019192218.db2.gz ZZLQYWGTIBOLKR-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@H](c3ccccc3)C(C)C)[nH+]c12 ZINC000060342620 1019263230 /nfs/dbraw/zinc/26/32/30/1019263230.db2.gz CLRLAROWMHEUGS-IBGZPJMESA-N 1 2 335.451 3.741 20 0 EHADLO c1n[nH]c([C@H]([NH2+]C[C@H]2CSc3ccccc32)C2CCCCC2)n1 ZINC000580399011 1019272782 /nfs/dbraw/zinc/27/27/82/1019272782.db2.gz YQLSIZLRIYWGRJ-WMLDXEAASA-N 1 2 328.485 3.905 20 0 EHADLO C[C@@H](Cc1cnccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000580405482 1019295449 /nfs/dbraw/zinc/29/54/49/1019295449.db2.gz SVBJLAOTXSOHDQ-HNNXBMFYSA-N 1 2 333.439 3.720 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000729339881 1019300141 /nfs/dbraw/zinc/30/01/41/1019300141.db2.gz DPORYKSXJFSMMG-GNISGLHKSA-N 1 2 348.450 3.676 20 0 EHADLO O=C(CCn1ccc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000052910180 1019304601 /nfs/dbraw/zinc/30/46/01/1019304601.db2.gz XZGPZXSJEQIJJZ-UHFFFAOYSA-N 1 2 330.391 3.856 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC1(C2CCCCC2)CC1 ZINC000891275568 1019308963 /nfs/dbraw/zinc/30/89/63/1019308963.db2.gz NDSCKWXLQFWNCW-ZDUSSCGKSA-N 1 2 329.366 3.606 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(F)c1 ZINC000655360976 1019317956 /nfs/dbraw/zinc/31/79/56/1019317956.db2.gz RSAFYMGANYROFQ-CYBMUJFWSA-N 1 2 333.407 3.791 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(F)c1 ZINC000655360976 1019317969 /nfs/dbraw/zinc/31/79/69/1019317969.db2.gz RSAFYMGANYROFQ-CYBMUJFWSA-N 1 2 333.407 3.791 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000476083891 1032824370 /nfs/dbraw/zinc/82/43/70/1032824370.db2.gz JUQLZQHFGJFHCF-MOPGFXCFSA-N 1 2 344.499 3.982 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2nccn21 ZINC000449573212 1032832303 /nfs/dbraw/zinc/83/23/03/1032832303.db2.gz PUTLHYVUFIKHKW-BLLLJJGKSA-N 1 2 327.819 3.518 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471588916 1019555411 /nfs/dbraw/zinc/55/54/11/1019555411.db2.gz DEDUEMYOJMEZGC-SJORKVTESA-N 1 2 328.460 3.688 20 0 EHADLO CCc1ccc([C@H]2CCC[N@@H+]([C@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366957 1019575717 /nfs/dbraw/zinc/57/57/17/1019575717.db2.gz NFKFVLJGJKYFLD-PMACEKPBSA-N 1 2 338.451 3.738 20 0 EHADLO CCc1ccc([C@H]2CCC[N@H+]([C@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366957 1019575726 /nfs/dbraw/zinc/57/57/26/1019575726.db2.gz NFKFVLJGJKYFLD-PMACEKPBSA-N 1 2 338.451 3.738 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccs1)Cc1cnc(N)s1 ZINC000340716467 1019597431 /nfs/dbraw/zinc/59/74/31/1019597431.db2.gz SQBNSZNNVAGHHH-UHFFFAOYSA-N 1 2 345.493 3.828 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccs1)Cc1cnc(N)s1 ZINC000340716467 1019597444 /nfs/dbraw/zinc/59/74/44/1019597444.db2.gz SQBNSZNNVAGHHH-UHFFFAOYSA-N 1 2 345.493 3.828 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000433779751 1019601408 /nfs/dbraw/zinc/60/14/08/1019601408.db2.gz NWDSAADJHBEIDB-UHFFFAOYSA-N 1 2 328.485 3.765 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000433779751 1019601423 /nfs/dbraw/zinc/60/14/23/1019601423.db2.gz NWDSAADJHBEIDB-UHFFFAOYSA-N 1 2 328.485 3.765 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(Br)cc2)[nH+]1 ZINC000433788193 1019617915 /nfs/dbraw/zinc/61/79/15/1019617915.db2.gz CLRIVGLOTNEHAS-VIFPVBQESA-N 1 2 331.217 3.624 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1OC(C)C ZINC000513453826 1019685197 /nfs/dbraw/zinc/68/51/97/1019685197.db2.gz AWCSBTLJGYWFFU-INIZCTEOSA-N 1 2 349.471 3.789 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1OC(C)C ZINC000513453826 1019685213 /nfs/dbraw/zinc/68/52/13/1019685213.db2.gz AWCSBTLJGYWFFU-INIZCTEOSA-N 1 2 349.471 3.789 20 0 EHADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513459096 1019715748 /nfs/dbraw/zinc/71/57/48/1019715748.db2.gz XOUIXNNWAKGDIN-NHYWBVRUSA-N 1 2 329.362 3.740 20 0 EHADLO COc1cccc2c(NCc3cccnc3N3CCCC3)cc[nH+]c12 ZINC000664192811 1019728130 /nfs/dbraw/zinc/72/81/30/1019728130.db2.gz UBHPRZREOZETNJ-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000122966763 1019784615 /nfs/dbraw/zinc/78/46/15/1019784615.db2.gz VJCLDZGTUXQWNY-CRAIPNDOSA-N 1 2 341.430 3.554 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1Cl ZINC000580655778 1019800298 /nfs/dbraw/zinc/80/02/98/1019800298.db2.gz DJVWSXROHMESIU-VIFPVBQESA-N 1 2 342.226 3.933 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1Cl ZINC000580655778 1019800311 /nfs/dbraw/zinc/80/03/11/1019800311.db2.gz DJVWSXROHMESIU-VIFPVBQESA-N 1 2 342.226 3.933 20 0 EHADLO CC(C)C[C@@H](C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)c1ccccc1 ZINC000656269848 1019820150 /nfs/dbraw/zinc/82/01/50/1019820150.db2.gz USTGKGQPLYYEFI-DLBZAZTESA-N 1 2 328.460 3.576 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+]Cc3cnc(C4CC4)o3)cn2)cc1 ZINC000580695237 1019870891 /nfs/dbraw/zinc/87/08/91/1019870891.db2.gz FOSQMKMENMFXDE-UHFFFAOYSA-N 1 2 328.803 3.681 20 0 EHADLO c1ccc(NC[C@@H]2CCc3ccccc3C2)c(C[NH+]2CCOCC2)c1 ZINC000513640750 1019899663 /nfs/dbraw/zinc/89/96/63/1019899663.db2.gz ROPDNGBZFOYWMO-GOSISDBHSA-N 1 2 336.479 3.736 20 0 EHADLO Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000340771609 1019965367 /nfs/dbraw/zinc/96/53/67/1019965367.db2.gz DFVWWSHBNZMWTH-CYBMUJFWSA-N 1 2 331.441 3.876 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cncc(C(F)(F)F)c1 ZINC000340771772 1019965722 /nfs/dbraw/zinc/96/57/22/1019965722.db2.gz DRMWWCAAMFENAX-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO FC(F)Oc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000340775365 1019978399 /nfs/dbraw/zinc/97/83/99/1019978399.db2.gz HUXZOTSNGHSVEL-UHFFFAOYSA-N 1 2 336.386 3.576 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)Cc3ccccc3C)[nH+]c12 ZINC000580809455 1020041912 /nfs/dbraw/zinc/04/19/12/1020041912.db2.gz AQDNMDGJTUQVDZ-QGZVFWFLSA-N 1 2 335.451 3.583 20 0 EHADLO COCC[N@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccccc1 ZINC000048060583 1020051888 /nfs/dbraw/zinc/05/18/88/1020051888.db2.gz VHIZBUIJMWZLLR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccccc1 ZINC000048060583 1020051901 /nfs/dbraw/zinc/05/19/01/1020051901.db2.gz VHIZBUIJMWZLLR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO CN(Cc1ccccc1NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000684073328 1020056141 /nfs/dbraw/zinc/05/61/41/1020056141.db2.gz APVCHNOOWLWASI-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO C=Cn1cc(C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2OC)cn1 ZINC000574267021 1032871689 /nfs/dbraw/zinc/87/16/89/1032871689.db2.gz GJNXLRXJMJVJPK-NRFANRHFSA-N 1 2 349.434 3.880 20 0 EHADLO COc1ccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000598038048 1032872403 /nfs/dbraw/zinc/87/24/03/1032872403.db2.gz RQUGNDPFBHIQPI-UHFFFAOYSA-N 1 2 337.448 3.993 20 0 EHADLO O=C(c1cc[nH]c1C1CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000345243609 1020091459 /nfs/dbraw/zinc/09/14/59/1020091459.db2.gz BEXGVIFMAKRKEC-UHFFFAOYSA-N 1 2 340.471 3.811 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2cc3c(cc2Br)OCO3)[C@H]1C ZINC000345247348 1020095687 /nfs/dbraw/zinc/09/56/87/1020095687.db2.gz SAEDWEHSWBCVCR-VHSXEESVSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2cc3c(cc2Br)OCO3)[C@H]1C ZINC000345247348 1020095694 /nfs/dbraw/zinc/09/56/94/1020095694.db2.gz SAEDWEHSWBCVCR-VHSXEESVSA-N 1 2 344.274 3.504 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC(C)(C)C(F)(F)F)c1C ZINC000280144277 1020113067 /nfs/dbraw/zinc/11/30/67/1020113067.db2.gz ZIWXGIUWLJPYOA-UHFFFAOYSA-N 1 2 332.366 3.644 20 0 EHADLO CSc1c(F)cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000345317201 1020127270 /nfs/dbraw/zinc/12/72/70/1020127270.db2.gz KPYGIMPDRSWACU-INIZCTEOSA-N 1 2 348.418 3.900 20 0 EHADLO CSc1c(F)cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1F ZINC000345317201 1020127279 /nfs/dbraw/zinc/12/72/79/1020127279.db2.gz KPYGIMPDRSWACU-INIZCTEOSA-N 1 2 348.418 3.900 20 0 EHADLO CNc1nc(Cl)ncc1C[N@@H+]1CCC[C@H](Oc2ccccc2C)C1 ZINC001142488451 1032879185 /nfs/dbraw/zinc/87/91/85/1032879185.db2.gz JNTBKNXDXCJSLW-HNNXBMFYSA-N 1 2 346.862 3.524 20 0 EHADLO CNc1nc(Cl)ncc1C[N@H+]1CCC[C@H](Oc2ccccc2C)C1 ZINC001142488451 1032879202 /nfs/dbraw/zinc/87/92/02/1032879202.db2.gz JNTBKNXDXCJSLW-HNNXBMFYSA-N 1 2 346.862 3.524 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc(C)c1F ZINC001143381977 1020181736 /nfs/dbraw/zinc/18/17/36/1020181736.db2.gz SBSVFARTHYPGSI-LJQANCHMSA-N 1 2 329.415 3.722 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc(C)c1F ZINC001143381977 1020181746 /nfs/dbraw/zinc/18/17/46/1020181746.db2.gz SBSVFARTHYPGSI-LJQANCHMSA-N 1 2 329.415 3.722 20 0 EHADLO C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000650299053 1020206340 /nfs/dbraw/zinc/20/63/40/1020206340.db2.gz HDNOLKPKKWSQHJ-SFHVURJKSA-N 1 2 331.847 3.550 20 0 EHADLO Cc1cccc(C2=CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)c1C ZINC000891341809 1020220032 /nfs/dbraw/zinc/22/00/32/1020220032.db2.gz DOIQAZOJKXKAGK-UHFFFAOYSA-N 1 2 349.478 3.695 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C\C1CCCC1 ZINC000843559052 1020231339 /nfs/dbraw/zinc/23/13/39/1020231339.db2.gz STGPYNLSOGVWPS-KHPPLWFESA-N 1 2 341.499 3.893 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000280293983 1020263082 /nfs/dbraw/zinc/26/30/82/1020263082.db2.gz FHZNUGOPGWJIGL-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000280293983 1020263089 /nfs/dbraw/zinc/26/30/89/1020263089.db2.gz FHZNUGOPGWJIGL-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccnn3C3CCCC3)ccc21 ZINC000580934030 1020266732 /nfs/dbraw/zinc/26/67/32/1020266732.db2.gz CSFIRJUJMSZEJU-UHFFFAOYSA-N 1 2 349.438 3.865 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000510360707 1020286580 /nfs/dbraw/zinc/28/65/80/1020286580.db2.gz ZBBSAUQUALEXNA-RTBURBONSA-N 1 2 337.467 3.606 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345460695 1020300161 /nfs/dbraw/zinc/30/01/61/1020300161.db2.gz KSQIIWOEEFNYHQ-WRUMOOJNSA-N 1 2 340.467 3.668 20 0 EHADLO CCCC1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000345558439 1020358437 /nfs/dbraw/zinc/35/84/37/1020358437.db2.gz AXSIROMMMGPLRK-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143387785 1020379797 /nfs/dbraw/zinc/37/97/97/1020379797.db2.gz SWQZOMIMPZRBIL-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001143387785 1020379805 /nfs/dbraw/zinc/37/98/05/1020379805.db2.gz SWQZOMIMPZRBIL-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO CC1(C)CC[C@@H]2C[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)c3cccc1c32 ZINC000345626673 1020401690 /nfs/dbraw/zinc/40/16/90/1020401690.db2.gz PEJJAYFOELAWRF-RVKKMQEKSA-N 1 2 349.478 3.862 20 0 EHADLO CCCc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)sc1C ZINC000345635821 1020407418 /nfs/dbraw/zinc/40/74/18/1020407418.db2.gz RYJYWKAMEFQKJL-UHFFFAOYSA-N 1 2 331.485 3.514 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528824502 1032899128 /nfs/dbraw/zinc/89/91/28/1032899128.db2.gz BOAAGXKXEARJFJ-NWDGAFQWSA-N 1 2 335.810 3.860 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)cs1 ZINC000280572573 1020494942 /nfs/dbraw/zinc/49/49/42/1020494942.db2.gz SBJQNIDTOQAECO-MRXNPFEDSA-N 1 2 331.485 3.534 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)cs1 ZINC000280572573 1020494947 /nfs/dbraw/zinc/49/49/47/1020494947.db2.gz SBJQNIDTOQAECO-MRXNPFEDSA-N 1 2 331.485 3.534 20 0 EHADLO Cc1cccc2nc(N3CCC[N@H+](Cc4cscn4)CC3)sc21 ZINC000280725734 1020613281 /nfs/dbraw/zinc/61/32/81/1020613281.db2.gz MSOWZAWTSTZXIK-UHFFFAOYSA-N 1 2 344.509 3.774 20 0 EHADLO Cc1cccc2nc(N3CCC[N@@H+](Cc4cscn4)CC3)sc21 ZINC000280725734 1020613286 /nfs/dbraw/zinc/61/32/86/1020613286.db2.gz MSOWZAWTSTZXIK-UHFFFAOYSA-N 1 2 344.509 3.774 20 0 EHADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2cncs2)nc[nH+]1 ZINC000340919917 1020614500 /nfs/dbraw/zinc/61/45/00/1020614500.db2.gz LHXLQLUQAQWOPA-AHIWAGSCSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1 ZINC000340919917 1020614506 /nfs/dbraw/zinc/61/45/06/1020614506.db2.gz LHXLQLUQAQWOPA-AHIWAGSCSA-N 1 2 347.488 3.722 20 0 EHADLO Cc1sc2nc(C[NH+]3CCC(C(F)(F)F)CC3)nc(N)c2c1C ZINC000321997195 1020614795 /nfs/dbraw/zinc/61/47/95/1020614795.db2.gz GACOMSWQHQXYRF-UHFFFAOYSA-N 1 2 344.406 3.665 20 0 EHADLO FC(F)c1cc(NCC[NH+]2CCOCC2)c2cc(Cl)ccc2n1 ZINC000581271978 1020617726 /nfs/dbraw/zinc/61/77/26/1020617726.db2.gz MYOFAJSPHMDRSZ-UHFFFAOYSA-N 1 2 341.789 3.570 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@H](CCO)c3ccccc3F)nc2c1 ZINC000625506659 1020638692 /nfs/dbraw/zinc/63/86/92/1020638692.db2.gz ANSDUNWRQNZLRJ-OAHLLOKOSA-N 1 2 330.428 3.957 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CCCC(F)(F)C4)n3)[nH+]c12 ZINC000581394865 1020785080 /nfs/dbraw/zinc/78/50/80/1020785080.db2.gz DMPIFKUTXNVYBW-LBPRGKRZSA-N 1 2 332.354 3.909 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000089879299 1020818340 /nfs/dbraw/zinc/81/83/40/1020818340.db2.gz OBNAVTRUHAIAKP-LJQANCHMSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1cscc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341020565 1020869267 /nfs/dbraw/zinc/86/92/67/1020869267.db2.gz FPDSFFJGKOYTDC-UHFFFAOYSA-N 1 2 332.473 3.977 20 0 EHADLO CC/C(=C\C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc(C)cc1 ZINC000172825148 1032939120 /nfs/dbraw/zinc/93/91/20/1032939120.db2.gz DUYOENVUZPIOHY-CAPFRKAQSA-N 1 2 349.478 3.528 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000341050365 1020924732 /nfs/dbraw/zinc/92/47/32/1020924732.db2.gz PUAZUTCSOHRJRH-SCLBCKFNSA-N 1 2 343.390 3.750 20 0 EHADLO CC(C)[N@H+](Cc1cnccn1)Cc1cc(Br)ccc1F ZINC000581474195 1020968140 /nfs/dbraw/zinc/96/81/40/1020968140.db2.gz FSWSJIPXFIRKIT-UHFFFAOYSA-N 1 2 338.224 3.789 20 0 EHADLO CC(C)[N@@H+](Cc1cnccn1)Cc1cc(Br)ccc1F ZINC000581474195 1020968145 /nfs/dbraw/zinc/96/81/45/1020968145.db2.gz FSWSJIPXFIRKIT-UHFFFAOYSA-N 1 2 338.224 3.789 20 0 EHADLO c1cn(-c2ccnc(-c3nc(Cc4cc5ccccc5o4)no3)c2)c[nH+]1 ZINC000341105473 1020983372 /nfs/dbraw/zinc/98/33/72/1020983372.db2.gz IYTINDVWTYHZLN-UHFFFAOYSA-N 1 2 343.346 3.654 20 0 EHADLO COC[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccccc1 ZINC000782497923 1032950022 /nfs/dbraw/zinc/95/00/22/1032950022.db2.gz RBJWKYWBVBDCNR-LBPRGKRZSA-N 1 2 347.768 3.570 20 0 EHADLO Fc1cc(CNc2ccc(OC(F)F)cn2)ccc1-n1cc[nH+]c1 ZINC000094150153 1032952640 /nfs/dbraw/zinc/95/26/40/1032952640.db2.gz JUSJZNCXGDLNOU-UHFFFAOYSA-N 1 2 334.301 3.620 20 0 EHADLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)c1 ZINC000276361376 1021098483 /nfs/dbraw/zinc/09/84/83/1021098483.db2.gz VXBNKBVZAKOGQT-KBPBESRZSA-N 1 2 329.448 3.599 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)/C(F)=C/C1CCCCC1 ZINC001125519236 1021106635 /nfs/dbraw/zinc/10/66/35/1021106635.db2.gz ZTAWDZBBMHTCDT-RGEXLXHISA-N 1 2 346.446 3.891 20 0 EHADLO CCOc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000341233226 1021141381 /nfs/dbraw/zinc/14/13/81/1021141381.db2.gz AFOVSHAQYXHIFH-UHFFFAOYSA-N 1 2 341.455 3.614 20 0 EHADLO CCCOc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1OCC ZINC000341234529 1021145103 /nfs/dbraw/zinc/14/51/03/1021145103.db2.gz BRODUJDMTQPBQP-UHFFFAOYSA-N 1 2 333.432 3.590 20 0 EHADLO C[C@H](CC(=O)NC1CC(F)(c2cccc(Cl)c2)C1)n1cc[nH+]c1 ZINC000581612653 1021150286 /nfs/dbraw/zinc/15/02/86/1021150286.db2.gz ZHQOPQWWIFEZEQ-OLJMKKDRSA-N 1 2 335.810 3.631 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341245748 1021173571 /nfs/dbraw/zinc/17/35/71/1021173571.db2.gz DRVYIWIHLDABBF-UHFFFAOYSA-N 1 2 337.876 3.931 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(Br)c1F)c1ccc(C)o1 ZINC000295767996 1021176681 /nfs/dbraw/zinc/17/66/81/1021176681.db2.gz QSKNMAQHYMXIAL-CYBMUJFWSA-N 1 2 342.208 3.967 20 0 EHADLO O=C(C[NH+](C/C=C\c1ccccc1)C/C=C\c1ccccc1)NC1CC1 ZINC000507441116 1021255507 /nfs/dbraw/zinc/25/55/07/1021255507.db2.gz KEBYYYQZELSCJP-PVRNWPCDSA-N 1 2 346.474 3.994 20 0 EHADLO CCCC[C@](C)(F)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000656746669 1021256747 /nfs/dbraw/zinc/25/67/47/1021256747.db2.gz MDZJWUZNALSUBL-IBGZPJMESA-N 1 2 347.434 3.944 20 0 EHADLO C[C@H](Oc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1)c1ccccc1 ZINC000518519649 1021273907 /nfs/dbraw/zinc/27/39/07/1021273907.db2.gz CHHQCRRPRHPDGM-INIZCTEOSA-N 1 2 347.418 3.720 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C2CC2)cn1 ZINC000528852303 1032965063 /nfs/dbraw/zinc/96/50/63/1032965063.db2.gz ZZMGJFDORYJNND-ABAIWWIYSA-N 1 2 330.432 3.573 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1c(F)cccc1F ZINC000341282384 1021288247 /nfs/dbraw/zinc/28/82/47/1021288247.db2.gz IKFPRHGLTPSOCV-MNOVXSKESA-N 1 2 329.350 3.763 20 0 EHADLO CC1(C)Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c(O)c2O1 ZINC000436862613 1021300504 /nfs/dbraw/zinc/30/05/04/1021300504.db2.gz ZYFCDCJDJKIFHE-UHFFFAOYSA-N 1 2 349.390 3.544 20 0 EHADLO COC[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000439283286 1021320425 /nfs/dbraw/zinc/32/04/25/1021320425.db2.gz JDZLBKMWBUWUIY-VXGBXAGGSA-N 1 2 325.861 3.790 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000439283286 1021320441 /nfs/dbraw/zinc/32/04/41/1021320441.db2.gz JDZLBKMWBUWUIY-VXGBXAGGSA-N 1 2 325.861 3.790 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439321692 1021347736 /nfs/dbraw/zinc/34/77/36/1021347736.db2.gz UXZPSCCGLUEGHW-LBPRGKRZSA-N 1 2 349.841 3.683 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000664872340 1021360029 /nfs/dbraw/zinc/36/00/29/1021360029.db2.gz HKCMTKRWLOMCPW-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000664872340 1021360047 /nfs/dbraw/zinc/36/00/47/1021360047.db2.gz HKCMTKRWLOMCPW-UHFFFAOYSA-N 1 2 336.439 3.660 20 0 EHADLO C[C@H]([NH2+]Cc1nccc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000760470538 1032977756 /nfs/dbraw/zinc/97/77/56/1032977756.db2.gz MEOOVGHSKDAFRQ-HNNXBMFYSA-N 1 2 329.407 3.666 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3sccc3C2)CCN1c1cccc(Cl)c1 ZINC000426377095 1021426014 /nfs/dbraw/zinc/42/60/14/1021426014.db2.gz MHJJGPDDQXPARX-HNNXBMFYSA-N 1 2 332.856 3.565 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3sccc3C2)CCN1c1cccc(Cl)c1 ZINC000426377095 1021426019 /nfs/dbraw/zinc/42/60/19/1021426019.db2.gz MHJJGPDDQXPARX-HNNXBMFYSA-N 1 2 332.856 3.565 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000505913458 1021434116 /nfs/dbraw/zinc/43/41/16/1021434116.db2.gz UFEPFFDAGJUBID-UHFFFAOYSA-N 1 2 348.393 3.624 20 0 EHADLO Fc1cccc2c3c([nH]c21)C[N@@H+](CCO[C@H]1CCCCO1)CCC3 ZINC000439477100 1021471909 /nfs/dbraw/zinc/47/19/09/1021471909.db2.gz SWLHFKVPKLYKMU-SFHVURJKSA-N 1 2 332.419 3.598 20 0 EHADLO Fc1cccc2c3c([nH]c21)C[N@H+](CCO[C@H]1CCCCO1)CCC3 ZINC000439477100 1021471913 /nfs/dbraw/zinc/47/19/13/1021471913.db2.gz SWLHFKVPKLYKMU-SFHVURJKSA-N 1 2 332.419 3.598 20 0 EHADLO Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)co2)cc1 ZINC000729475362 1021476009 /nfs/dbraw/zinc/47/60/09/1021476009.db2.gz SFZUENITJGTQSZ-MRXNPFEDSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3OCCO3)co2)cc1 ZINC000729475362 1021476018 /nfs/dbraw/zinc/47/60/18/1021476018.db2.gz SFZUENITJGTQSZ-MRXNPFEDSA-N 1 2 348.830 3.722 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000607110527 1032984292 /nfs/dbraw/zinc/98/42/92/1032984292.db2.gz HQQXZGMWXTZZFW-RTBURBONSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1[nH+]c(NCc2cccc3c2NCCC3)ccc1-c1cnn(C)c1 ZINC000894868271 1021532501 /nfs/dbraw/zinc/53/25/01/1021532501.db2.gz ZSVWJLNUJKSOIN-UHFFFAOYSA-N 1 2 333.439 3.761 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000509608051 1021551217 /nfs/dbraw/zinc/55/12/17/1021551217.db2.gz JRMYXPLEALQLDK-JQHSSLGASA-N 1 2 333.439 3.526 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000518790155 1021565091 /nfs/dbraw/zinc/56/50/91/1021565091.db2.gz YZPCHBMYJSCSDM-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000518790155 1021565098 /nfs/dbraw/zinc/56/50/98/1021565098.db2.gz YZPCHBMYJSCSDM-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO CCCN(CCc1cccc(F)c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000516657812 1021633336 /nfs/dbraw/zinc/63/33/36/1021633336.db2.gz DSRDQPUZYCNXNU-UHFFFAOYSA-N 1 2 340.402 3.960 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439683064 1021639466 /nfs/dbraw/zinc/63/94/66/1021639466.db2.gz FRSDWXYXILKRKF-LJQANCHMSA-N 1 2 325.456 3.535 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469454412 1021657991 /nfs/dbraw/zinc/65/79/91/1021657991.db2.gz KBWLFXRDXPZVSZ-KBXCAEBGSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469454412 1021657998 /nfs/dbraw/zinc/65/79/98/1021657998.db2.gz KBWLFXRDXPZVSZ-KBXCAEBGSA-N 1 2 331.362 3.668 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cc(OC)no1)c1cccc(C(F)(F)F)c1 ZINC000925091769 1021686382 /nfs/dbraw/zinc/68/63/82/1021686382.db2.gz AHQOWRWISOWPPI-ZWNOBZJWSA-N 1 2 344.333 3.740 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(N3CCCC3=O)c2)n1-c1ccccc1 ZINC000437267064 1021693376 /nfs/dbraw/zinc/69/33/76/1021693376.db2.gz HZTSVIFDMBIYQK-UHFFFAOYSA-N 1 2 346.434 3.920 20 0 EHADLO CSCc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000891468220 1021702747 /nfs/dbraw/zinc/70/27/47/1021702747.db2.gz UBWQIHQCAYKTBA-UHFFFAOYSA-N 1 2 339.464 3.830 20 0 EHADLO CSCc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000891468220 1021702762 /nfs/dbraw/zinc/70/27/62/1021702762.db2.gz UBWQIHQCAYKTBA-UHFFFAOYSA-N 1 2 339.464 3.830 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000426495738 1021714265 /nfs/dbraw/zinc/71/42/65/1021714265.db2.gz HINBJEDWGOKXAX-UHFFFAOYSA-N 1 2 329.400 3.672 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000426495738 1021714278 /nfs/dbraw/zinc/71/42/78/1021714278.db2.gz HINBJEDWGOKXAX-UHFFFAOYSA-N 1 2 329.400 3.672 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000157926902 1021736760 /nfs/dbraw/zinc/73/67/60/1021736760.db2.gz DRHJNBLWAAFERT-KRWDZBQOSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000157926902 1021736772 /nfs/dbraw/zinc/73/67/72/1021736772.db2.gz DRHJNBLWAAFERT-KRWDZBQOSA-N 1 2 349.434 3.659 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000607130894 1033005229 /nfs/dbraw/zinc/00/52/29/1033005229.db2.gz NLZFNAFCBLSWEY-QRQLOZEOSA-N 1 2 346.540 3.862 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001167483139 1021766086 /nfs/dbraw/zinc/76/60/86/1021766086.db2.gz UGIMVELBQXDIAS-INIZCTEOSA-N 1 2 346.833 3.874 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001167483139 1021766103 /nfs/dbraw/zinc/76/61/03/1021766103.db2.gz UGIMVELBQXDIAS-INIZCTEOSA-N 1 2 346.833 3.874 20 0 EHADLO C[C@@H](CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000188103409 1021810256 /nfs/dbraw/zinc/81/02/56/1021810256.db2.gz WPXCXCHMVQIGKM-HNNXBMFYSA-N 1 2 347.890 3.948 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000440906232 1021861020 /nfs/dbraw/zinc/86/10/20/1021861020.db2.gz SQKUDRMWPIWYES-SOLBZPMBSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000440906232 1021861035 /nfs/dbraw/zinc/86/10/35/1021861035.db2.gz SQKUDRMWPIWYES-SOLBZPMBSA-N 1 2 330.472 3.986 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080914956 1021865107 /nfs/dbraw/zinc/86/51/07/1021865107.db2.gz QRFIDBZYHWJOEI-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080914956 1021865121 /nfs/dbraw/zinc/86/51/21/1021865121.db2.gz QRFIDBZYHWJOEI-CYBMUJFWSA-N 1 2 347.846 3.511 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)n2)c(C)o1 ZINC000516936286 1021870238 /nfs/dbraw/zinc/87/02/38/1021870238.db2.gz VYHNRHZIOIQQOW-SECBINFHSA-N 1 2 330.413 3.560 20 0 EHADLO Cc1cc(-c2csc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)n2)c(C)o1 ZINC000516936286 1021870254 /nfs/dbraw/zinc/87/02/54/1021870254.db2.gz VYHNRHZIOIQQOW-SECBINFHSA-N 1 2 330.413 3.560 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC(n3ccnn3)CC2)c1 ZINC000516950940 1021887185 /nfs/dbraw/zinc/88/71/85/1021887185.db2.gz CTINPJJILDJMLT-UHFFFAOYSA-N 1 2 347.344 3.687 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)on1 ZINC000602619106 1033013646 /nfs/dbraw/zinc/01/36/46/1033013646.db2.gz LXYKCZJVCNTDKU-UHFFFAOYSA-N 1 2 340.782 3.669 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000440965087 1021895601 /nfs/dbraw/zinc/89/56/01/1021895601.db2.gz WOMGREBXMBOIEJ-HZPDHXFCSA-N 1 2 337.847 3.659 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000440965087 1021895617 /nfs/dbraw/zinc/89/56/17/1021895617.db2.gz WOMGREBXMBOIEJ-HZPDHXFCSA-N 1 2 337.847 3.659 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000519170144 1021909793 /nfs/dbraw/zinc/90/97/93/1021909793.db2.gz NGAAVLVECUXYMN-IRXDYDNUSA-N 1 2 347.503 3.506 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000537468094 1033015027 /nfs/dbraw/zinc/01/50/27/1033015027.db2.gz URLUYGPELDVPMY-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000537468094 1033015043 /nfs/dbraw/zinc/01/50/43/1033015043.db2.gz URLUYGPELDVPMY-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(C)c1C ZINC000506748044 1021914582 /nfs/dbraw/zinc/91/45/82/1021914582.db2.gz QLCOBRZIKONESX-SJLPKXTDSA-N 1 2 337.467 3.824 20 0 EHADLO CC[C@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000519196395 1021926958 /nfs/dbraw/zinc/92/69/58/1021926958.db2.gz ALKQNRRCNFUTFJ-LPHOPBHVSA-N 1 2 345.487 3.876 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(C2CCCC2)n1 ZINC000891562145 1021950711 /nfs/dbraw/zinc/95/07/11/1021950711.db2.gz IYUYILXGGBAHDT-LJQANCHMSA-N 1 2 325.456 3.651 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(C2CCCC2)n1 ZINC000891562145 1021950720 /nfs/dbraw/zinc/95/07/20/1021950720.db2.gz IYUYILXGGBAHDT-LJQANCHMSA-N 1 2 325.456 3.651 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cc2c(cccc2F)[nH]1 ZINC000437574490 1021959400 /nfs/dbraw/zinc/95/94/00/1021959400.db2.gz COXACEVFDKRNIZ-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cc2c(cccc2F)[nH]1 ZINC000437574490 1021959413 /nfs/dbraw/zinc/95/94/13/1021959413.db2.gz COXACEVFDKRNIZ-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437578485 1021964395 /nfs/dbraw/zinc/96/43/95/1021964395.db2.gz NKUTZBMAMMTUKS-DOTOQJQBSA-N 1 2 338.476 3.961 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437578485 1021964402 /nfs/dbraw/zinc/96/44/02/1021964402.db2.gz NKUTZBMAMMTUKS-DOTOQJQBSA-N 1 2 338.476 3.961 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccc3ncsc3c2)c(C)c[nH+]1 ZINC000548271814 1021974237 /nfs/dbraw/zinc/97/42/37/1021974237.db2.gz AEHFHTMTSGNUFY-GFCCVEGCSA-N 1 2 326.425 3.613 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675452 1033020718 /nfs/dbraw/zinc/02/07/18/1033020718.db2.gz ZXMQXDWPXNTANZ-HZGVNTEJSA-N 1 2 334.190 3.800 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675452 1033020722 /nfs/dbraw/zinc/02/07/22/1033020722.db2.gz ZXMQXDWPXNTANZ-HZGVNTEJSA-N 1 2 334.190 3.800 20 0 EHADLO Cc1cc(NCc2ccnc(OC3CCCCC3)c2)nc(C2CC2)[nH+]1 ZINC000341507758 1022045684 /nfs/dbraw/zinc/04/56/84/1022045684.db2.gz VWWJCYFJORQWJJ-UHFFFAOYSA-N 1 2 338.455 3.803 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000341507847 1022045766 /nfs/dbraw/zinc/04/57/66/1022045766.db2.gz QLVZFSMWFZZQKX-OAHLLOKOSA-N 1 2 345.512 3.750 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000607175755 1033025862 /nfs/dbraw/zinc/02/58/62/1033025862.db2.gz SWNKURLHLBRWHM-SJLPKXTDSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1cc(N[C@H]2CCc3c2cccc3Br)nc(C2CC2)[nH+]1 ZINC000341513066 1022050090 /nfs/dbraw/zinc/05/00/90/1022050090.db2.gz UCMHIGQQHYKBOO-HNNXBMFYSA-N 1 2 344.256 3.946 20 0 EHADLO Brc1ccc2onc(NCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000290693656 1022078628 /nfs/dbraw/zinc/07/86/28/1022078628.db2.gz UWKHTGMKPJMQCI-UHFFFAOYSA-N 1 2 347.216 3.735 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)s1 ZINC000473896760 1022095651 /nfs/dbraw/zinc/09/56/51/1022095651.db2.gz NKTZVCMKANSQQO-HNNXBMFYSA-N 1 2 346.471 3.644 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000440320697 1022101109 /nfs/dbraw/zinc/10/11/09/1022101109.db2.gz ZNMAPDIISVUODH-HXUWFJFHSA-N 1 2 325.456 3.892 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000440320697 1022101115 /nfs/dbraw/zinc/10/11/15/1022101115.db2.gz ZNMAPDIISVUODH-HXUWFJFHSA-N 1 2 325.456 3.892 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000437778268 1022119388 /nfs/dbraw/zinc/11/93/88/1022119388.db2.gz ABTWTFVCEQGUOI-CZUORRHYSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000437778268 1022119397 /nfs/dbraw/zinc/11/93/97/1022119397.db2.gz ABTWTFVCEQGUOI-CZUORRHYSA-N 1 2 329.362 3.505 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322698 1022152110 /nfs/dbraw/zinc/15/21/10/1022152110.db2.gz KRVIHMQXAQSCFX-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322698 1022152119 /nfs/dbraw/zinc/15/21/19/1022152119.db2.gz KRVIHMQXAQSCFX-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](COC)c1ccc(C)o1)CCO2 ZINC000156414093 1022153140 /nfs/dbraw/zinc/15/31/40/1022153140.db2.gz XGXOWWWGIKWQHZ-IAGOWNOFSA-N 1 2 331.412 3.788 20 0 EHADLO O[C@@H](C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccccc1 ZINC000894406463 1022157006 /nfs/dbraw/zinc/15/70/06/1022157006.db2.gz NOAKKBGFMPATQP-NRFANRHFSA-N 1 2 347.462 3.954 20 0 EHADLO O[C@@H](C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccccc1 ZINC000894406463 1022157029 /nfs/dbraw/zinc/15/70/29/1022157029.db2.gz NOAKKBGFMPATQP-NRFANRHFSA-N 1 2 347.462 3.954 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000581893114 1022169968 /nfs/dbraw/zinc/16/99/68/1022169968.db2.gz IGEVLHUYAZXICQ-KGLIPLIRSA-N 1 2 331.485 3.966 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000581893114 1022169977 /nfs/dbraw/zinc/16/99/77/1022169977.db2.gz IGEVLHUYAZXICQ-KGLIPLIRSA-N 1 2 331.485 3.966 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000891633144 1022176430 /nfs/dbraw/zinc/17/64/30/1022176430.db2.gz GWMHGXBSEQGKCY-HNNXBMFYSA-N 1 2 333.844 3.623 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000891633144 1022176437 /nfs/dbraw/zinc/17/64/37/1022176437.db2.gz GWMHGXBSEQGKCY-HNNXBMFYSA-N 1 2 333.844 3.623 20 0 EHADLO CCc1cnc(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)s1 ZINC000441360146 1022177853 /nfs/dbraw/zinc/17/78/53/1022177853.db2.gz XNYKNRGAOAQATI-GFCCVEGCSA-N 1 2 337.439 3.867 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000016586836 1022224178 /nfs/dbraw/zinc/22/41/78/1022224178.db2.gz JKSCNBAWNDHGKG-UHFFFAOYSA-N 1 2 338.860 3.789 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000016586836 1022224181 /nfs/dbraw/zinc/22/41/81/1022224181.db2.gz JKSCNBAWNDHGKG-UHFFFAOYSA-N 1 2 338.860 3.789 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000441415652 1022226619 /nfs/dbraw/zinc/22/66/19/1022226619.db2.gz BJORGQDAVLTFCH-KRWDZBQOSA-N 1 2 332.492 3.520 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)c(F)cc2OC)CC1 ZINC001143403119 1022241478 /nfs/dbraw/zinc/24/14/78/1022241478.db2.gz YONIKHFPNGTBLK-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)o1 ZINC000471795413 1022245950 /nfs/dbraw/zinc/24/59/50/1022245950.db2.gz YUSXKNDXQWAWKS-CYBMUJFWSA-N 1 2 347.484 3.848 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)o1 ZINC000471795413 1022245957 /nfs/dbraw/zinc/24/59/57/1022245957.db2.gz YUSXKNDXQWAWKS-CYBMUJFWSA-N 1 2 347.484 3.848 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)sc1C(C)(C)C ZINC001307456752 1022249757 /nfs/dbraw/zinc/24/97/57/1022249757.db2.gz QFYAETKHYAFDKA-PWSUYJOCSA-N 1 2 336.423 3.637 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)sc1C(C)(C)C ZINC001307456752 1022249768 /nfs/dbraw/zinc/24/97/68/1022249768.db2.gz QFYAETKHYAFDKA-PWSUYJOCSA-N 1 2 336.423 3.637 20 0 EHADLO Cc1cc(CNc2ccc(OCCCO)cc2)c2c([nH+]1)CCCC2 ZINC000894433101 1022278901 /nfs/dbraw/zinc/27/89/01/1022278901.db2.gz ZYMZHZLMVYGYMT-UHFFFAOYSA-N 1 2 326.440 3.642 20 0 EHADLO Cc1cc2cc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2[nH]1 ZINC000119578053 1022320091 /nfs/dbraw/zinc/32/00/91/1022320091.db2.gz VJICXTXFQATDJL-CLCXKQKWSA-N 1 2 343.471 3.549 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000894984347 1022353857 /nfs/dbraw/zinc/35/38/57/1022353857.db2.gz XKONTDYCGHBBLF-CQSZACIVSA-N 1 2 345.409 3.714 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000894984347 1022353880 /nfs/dbraw/zinc/35/38/80/1022353880.db2.gz XKONTDYCGHBBLF-CQSZACIVSA-N 1 2 345.409 3.714 20 0 EHADLO C[C@H]1CC[C@H](C)N1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458880324 1022403574 /nfs/dbraw/zinc/40/35/74/1022403574.db2.gz JZWZDTZGPVAPMU-STQMWFEESA-N 1 2 332.835 3.608 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(O)c(C)cc1C ZINC000684477531 1022404654 /nfs/dbraw/zinc/40/46/54/1022404654.db2.gz JTYGVXGFEMNTDW-UHFFFAOYSA-N 1 2 345.349 3.584 20 0 EHADLO COc1nccc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1F ZINC000894517409 1022452466 /nfs/dbraw/zinc/45/24/66/1022452466.db2.gz WLUYFUWXPZOGIF-UHFFFAOYSA-N 1 2 347.434 3.729 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc(F)c1 ZINC000119449099 1033057144 /nfs/dbraw/zinc/05/71/44/1033057144.db2.gz NMMNLEMLKIKFPX-JKSUJKDBSA-N 1 2 343.446 3.534 20 0 EHADLO Clc1cccc(OCCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000517653191 1022525338 /nfs/dbraw/zinc/52/53/38/1022525338.db2.gz KWJLGMXKBCYMQD-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO Clc1cccc(OCCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000517653191 1022525347 /nfs/dbraw/zinc/52/53/47/1022525347.db2.gz KWJLGMXKBCYMQD-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)no1 ZINC000894557028 1022530516 /nfs/dbraw/zinc/53/05/16/1022530516.db2.gz RTKPTYDDBPPPCF-MELADBBJSA-N 1 2 339.480 3.627 20 0 EHADLO CC(C)NC(=O)c1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438305226 1022546980 /nfs/dbraw/zinc/54/69/80/1022546980.db2.gz MDPNSXUDHXLLMB-UHFFFAOYSA-N 1 2 348.450 3.682 20 0 EHADLO CSc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C ZINC000650539250 1022565275 /nfs/dbraw/zinc/56/52/75/1022565275.db2.gz FGFCOKMUUTYQAJ-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CSc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C ZINC000650539250 1022565286 /nfs/dbraw/zinc/56/52/86/1022565286.db2.gz FGFCOKMUUTYQAJ-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000303879890 1022589279 /nfs/dbraw/zinc/58/92/79/1022589279.db2.gz QWCWGSKKDDMTLE-QGZVFWFLSA-N 1 2 346.515 3.531 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000425992330 1022610393 /nfs/dbraw/zinc/61/03/93/1022610393.db2.gz CNJXTPHSJUUDPL-CQSZACIVSA-N 1 2 335.448 3.673 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000425992330 1022610399 /nfs/dbraw/zinc/61/03/99/1022610399.db2.gz CNJXTPHSJUUDPL-CQSZACIVSA-N 1 2 335.448 3.673 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)[NH+]1CCCCC1 ZINC000330668108 1022632618 /nfs/dbraw/zinc/63/26/18/1022632618.db2.gz BZFSIHCAPSKZOV-HNNXBMFYSA-N 1 2 328.815 3.634 20 0 EHADLO Cc1cc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc[nH+]1 ZINC000430804089 1022710628 /nfs/dbraw/zinc/71/06/28/1022710628.db2.gz XFEUOGSVEJMGAP-UHFFFAOYSA-N 1 2 347.205 3.557 20 0 EHADLO Cc1ccc(CCC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000471863876 1022715773 /nfs/dbraw/zinc/71/57/73/1022715773.db2.gz QBCKBXPVLPSIEP-MRXNPFEDSA-N 1 2 342.439 3.553 20 0 EHADLO CCc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000517898736 1022823898 /nfs/dbraw/zinc/82/38/98/1022823898.db2.gz SKUQIZLOVKAFTC-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014930023 1022830426 /nfs/dbraw/zinc/83/04/26/1022830426.db2.gz OBHWDSQGJUKOQA-DGCLKSJQSA-N 1 2 335.860 3.961 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014930023 1022830448 /nfs/dbraw/zinc/83/04/48/1022830448.db2.gz OBHWDSQGJUKOQA-DGCLKSJQSA-N 1 2 335.860 3.961 20 0 EHADLO C[C@@]1(F)CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000449349911 1022848384 /nfs/dbraw/zinc/84/83/84/1022848384.db2.gz KYDCOPVIJOMOFJ-QGZVFWFLSA-N 1 2 326.843 3.501 20 0 EHADLO C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000449349911 1022848400 /nfs/dbraw/zinc/84/84/00/1022848400.db2.gz KYDCOPVIJOMOFJ-QGZVFWFLSA-N 1 2 326.843 3.501 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000517975954 1022892309 /nfs/dbraw/zinc/89/23/09/1022892309.db2.gz GYMWZCYIHTWKCR-OAHLLOKOSA-N 1 2 333.391 3.759 20 0 EHADLO CCC1(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000438659224 1022910878 /nfs/dbraw/zinc/91/08/78/1022910878.db2.gz XSEJALJUOHYZQV-MRXNPFEDSA-N 1 2 345.487 3.782 20 0 EHADLO CC[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(OC)c(OC)c1 ZINC000343264108 1022944317 /nfs/dbraw/zinc/94/43/17/1022944317.db2.gz JQJWWGITPUVNSX-OAHLLOKOSA-N 1 2 342.443 3.879 20 0 EHADLO CC[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(OC)c(OC)c1 ZINC000343264108 1022944323 /nfs/dbraw/zinc/94/43/23/1022944323.db2.gz JQJWWGITPUVNSX-OAHLLOKOSA-N 1 2 342.443 3.879 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@@H]1CCSC1 ZINC000518523159 1022976036 /nfs/dbraw/zinc/97/60/36/1022976036.db2.gz AHSYGBPXFBGGAH-CYBMUJFWSA-N 1 2 342.468 3.513 20 0 EHADLO O=C1c2ccccc2N(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1=O ZINC000060857746 1033099613 /nfs/dbraw/zinc/09/96/13/1033099613.db2.gz UCLVZEBLPJCSBX-MRXNPFEDSA-N 1 2 326.440 3.608 20 0 EHADLO O=C1c2ccccc2N(C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1=O ZINC000060857746 1033099628 /nfs/dbraw/zinc/09/96/28/1033099628.db2.gz UCLVZEBLPJCSBX-MRXNPFEDSA-N 1 2 326.440 3.608 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668090085 1023019406 /nfs/dbraw/zinc/01/94/06/1023019406.db2.gz FLRBCCUCSJZXPL-GBESFXJTSA-N 1 2 337.467 3.775 20 0 EHADLO CCOc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)c(F)c1 ZINC000417454712 1023030235 /nfs/dbraw/zinc/03/02/35/1023030235.db2.gz UGEFKCZDMGLAJW-UHFFFAOYSA-N 1 2 346.406 3.633 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000509552122 1023030366 /nfs/dbraw/zinc/03/03/66/1023030366.db2.gz IUPWQUWSOJSKSW-QGZVFWFLSA-N 1 2 335.455 3.603 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000438827474 1023044990 /nfs/dbraw/zinc/04/49/90/1023044990.db2.gz SIYQRKVSQJFOJK-ADLMAVQZSA-N 1 2 346.356 3.705 20 0 EHADLO CN(C)c1ccccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341698121 1023061412 /nfs/dbraw/zinc/06/14/12/1023061412.db2.gz KRXWGLRZTWLBOQ-MRXNPFEDSA-N 1 2 334.423 3.636 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccccc1SC(F)(F)F ZINC000926262630 1023106357 /nfs/dbraw/zinc/10/63/57/1023106357.db2.gz PTNHCFIRPBGGSN-ZJUUUORDSA-N 1 2 330.379 3.839 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000129531359 1023109595 /nfs/dbraw/zinc/10/95/95/1023109595.db2.gz LEHJLWVXXAIXTQ-KRWDZBQOSA-N 1 2 333.435 3.773 20 0 EHADLO Cc1cn2cc(NC(=O)CCCc3cc(F)ccc3F)ccc2[nH+]1 ZINC000536377852 1023111633 /nfs/dbraw/zinc/11/16/33/1023111633.db2.gz ILOADOAWTNOVCT-UHFFFAOYSA-N 1 2 329.350 3.882 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470699 1023140890 /nfs/dbraw/zinc/14/08/90/1023140890.db2.gz RXUHCPMXDBBQPY-PMPSAXMXSA-N 1 2 326.444 3.763 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000507193026 1023183358 /nfs/dbraw/zinc/18/33/58/1023183358.db2.gz MQRYPMILTABCQW-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000507193026 1023183361 /nfs/dbraw/zinc/18/33/61/1023183361.db2.gz MQRYPMILTABCQW-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)c1nnnn1-c1ccccc1 ZINC000190483242 1023207920 /nfs/dbraw/zinc/20/79/20/1023207920.db2.gz BFARQQMPGYUEPN-OAHLLOKOSA-N 1 2 346.438 3.727 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)c1nnnn1-c1ccccc1 ZINC000190483242 1023207926 /nfs/dbraw/zinc/20/79/26/1023207926.db2.gz BFARQQMPGYUEPN-OAHLLOKOSA-N 1 2 346.438 3.727 20 0 EHADLO Brc1cccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341733309 1023221101 /nfs/dbraw/zinc/22/11/01/1023221101.db2.gz RTZWUBYCRBLXMH-UHFFFAOYSA-N 1 2 343.228 3.701 20 0 EHADLO CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H](C)Cc1ccsc1 ZINC000459067111 1023232049 /nfs/dbraw/zinc/23/20/49/1023232049.db2.gz AXQHVODHWZUXKY-HNNXBMFYSA-N 1 2 331.485 3.923 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000439046388 1023239907 /nfs/dbraw/zinc/23/99/07/1023239907.db2.gz XKBXWOGUFOWPGC-UTKZUKDTSA-N 1 2 347.393 3.854 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c[nH+]1 ZINC000459074320 1023247844 /nfs/dbraw/zinc/24/78/44/1023247844.db2.gz KCVHWENJBTXVQB-CXAGYDPISA-N 1 2 327.428 3.974 20 0 EHADLO CO[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1Cl ZINC000684554788 1023275288 /nfs/dbraw/zinc/27/52/88/1023275288.db2.gz QNUGCUQQMZJDTG-IRXDYDNUSA-N 1 2 342.830 3.525 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000441502611 1023302212 /nfs/dbraw/zinc/30/22/12/1023302212.db2.gz RWSOOWHQLKCAOC-LJQANCHMSA-N 1 2 337.398 3.810 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000341777623 1023303217 /nfs/dbraw/zinc/30/32/17/1023303217.db2.gz NDDHPUPVWOYPPM-APWZRJJASA-N 1 2 339.483 3.738 20 0 EHADLO CSc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000341801279 1023339285 /nfs/dbraw/zinc/33/92/85/1023339285.db2.gz FUJNKWJTIIPTOW-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO C[C@@]1(Br)C[C@H]1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925098 1023425575 /nfs/dbraw/zinc/42/55/75/1023425575.db2.gz DHYMZXWHRDXBBE-GOEBONIOSA-N 1 2 334.261 3.585 20 0 EHADLO C[C@@]1(Br)C[C@H]1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925098 1023425578 /nfs/dbraw/zinc/42/55/78/1023425578.db2.gz DHYMZXWHRDXBBE-GOEBONIOSA-N 1 2 334.261 3.585 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000602761004 1033132856 /nfs/dbraw/zinc/13/28/56/1033132856.db2.gz SVGRCVNQYVBKFP-UHFFFAOYSA-N 1 2 346.427 3.748 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000602761004 1033132860 /nfs/dbraw/zinc/13/28/60/1033132860.db2.gz SVGRCVNQYVBKFP-UHFFFAOYSA-N 1 2 346.427 3.748 20 0 EHADLO CCO[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000142111809 1023547427 /nfs/dbraw/zinc/54/74/27/1023547427.db2.gz PSIVFWNXTIGAKQ-SFHVURJKSA-N 1 2 339.370 3.728 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(F)c4ccccc34)[nH+]c12 ZINC000684585094 1023554206 /nfs/dbraw/zinc/55/42/06/1023554206.db2.gz HDRQWQFAKIUYRX-UHFFFAOYSA-N 1 2 347.393 3.908 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c[nH+]1 ZINC000535773936 1023625294 /nfs/dbraw/zinc/62/52/94/1023625294.db2.gz ZANFKUGXDZBOSL-LBPRGKRZSA-N 1 2 335.354 3.604 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000535774184 1023625422 /nfs/dbraw/zinc/62/54/22/1023625422.db2.gz RRVDWXCNFFKEIR-IAGOWNOFSA-N 1 2 333.476 3.568 20 0 EHADLO CC[C@H](S[C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000341905129 1023677647 /nfs/dbraw/zinc/67/76/47/1023677647.db2.gz VGFBUTPKSPHHTD-YOEHRIQHSA-N 1 2 338.492 3.563 20 0 EHADLO CCc1nc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc(C)[nH+]1 ZINC000341992408 1023745216 /nfs/dbraw/zinc/74/52/16/1023745216.db2.gz IZKBTOMOKZWTPF-CQSZACIVSA-N 1 2 346.425 3.509 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(SC)c(OC)c2)[nH]1 ZINC000277142095 1023827717 /nfs/dbraw/zinc/82/77/17/1023827717.db2.gz DWQYDUVRNGECNW-NEPJUHHUSA-N 1 2 334.489 3.900 20 0 EHADLO C[C@@H](O)CCC[NH2+][C@@H](C)C(F)(F)c1ccc(Br)cc1 ZINC000926314633 1023844622 /nfs/dbraw/zinc/84/46/22/1023844622.db2.gz MMVNBEFNXUYCQV-MNOVXSKESA-N 1 2 336.220 3.680 20 0 EHADLO Clc1nccc2cc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)sc21 ZINC000895075650 1023952553 /nfs/dbraw/zinc/95/25/53/1023952553.db2.gz FAQOYYFYNHFFJD-HNNXBMFYSA-N 1 2 340.901 3.658 20 0 EHADLO Clc1nccc2cc(C[N@H+]3CCO[C@@]4(CCSC4)C3)sc21 ZINC000895075650 1023952557 /nfs/dbraw/zinc/95/25/57/1023952557.db2.gz FAQOYYFYNHFFJD-HNNXBMFYSA-N 1 2 340.901 3.658 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000346026276 1023956465 /nfs/dbraw/zinc/95/64/65/1023956465.db2.gz DGHRRNLEQGHJQX-UHFFFAOYSA-N 1 2 333.435 3.614 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068230122 1033176947 /nfs/dbraw/zinc/17/69/47/1033176947.db2.gz YAEPQMIZLKGDDJ-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000192348496 1023993191 /nfs/dbraw/zinc/99/31/91/1023993191.db2.gz NXQVJRVJTUEPSE-DLBZAZTESA-N 1 2 334.508 3.693 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CCC(C)CC1 ZINC000192348571 1023993998 /nfs/dbraw/zinc/99/39/98/1023993998.db2.gz VPHFXHUXMNLYIV-UHFFFAOYSA-N 1 2 334.508 3.693 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(O)c1 ZINC000192366198 1023996870 /nfs/dbraw/zinc/99/68/70/1023996870.db2.gz YJSUBDCGTABLTO-LLVKDONJSA-N 1 2 346.793 3.616 20 0 EHADLO O=C(CCc1ccc(F)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513990287 1024020928 /nfs/dbraw/zinc/02/09/28/1024020928.db2.gz UONVNHVWIXRBRG-GOSISDBHSA-N 1 2 346.833 3.585 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000514000767 1024043750 /nfs/dbraw/zinc/04/37/50/1024043750.db2.gz AXSGNBVAWVCHTN-LJQANCHMSA-N 1 2 342.870 3.672 20 0 EHADLO COCCCCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443507831 1024051520 /nfs/dbraw/zinc/05/15/20/1024051520.db2.gz HMQANQQSHPTIGF-UHFFFAOYSA-N 1 2 341.224 3.787 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000151465063 1024112172 /nfs/dbraw/zinc/11/21/72/1024112172.db2.gz KEPFJUPNDRMGOX-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccc(CSC(F)F)o2)c2ccccc21 ZINC000759191217 1024125702 /nfs/dbraw/zinc/12/57/02/1024125702.db2.gz PCQJJISZMUWXNO-UHFFFAOYSA-N 1 2 337.395 3.912 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000535908375 1024133637 /nfs/dbraw/zinc/13/36/37/1024133637.db2.gz NZUHXOAKOQEXBM-SNRMKQJTSA-N 1 2 343.446 3.872 20 0 EHADLO CC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000522271861 1024137540 /nfs/dbraw/zinc/13/75/40/1024137540.db2.gz BBDIYWOFUIELOV-HNNXBMFYSA-N 1 2 333.501 3.817 20 0 EHADLO C1=CCC(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C1 ZINC000657225924 1024140223 /nfs/dbraw/zinc/14/02/23/1024140223.db2.gz FWTSGQGFKXKSEJ-UHFFFAOYSA-N 1 2 340.496 3.921 20 0 EHADLO CCCNc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000434553241 1024144951 /nfs/dbraw/zinc/14/49/51/1024144951.db2.gz GKSMIBHJFOZMNA-UHFFFAOYSA-N 1 2 348.450 3.683 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840012082 1024155664 /nfs/dbraw/zinc/15/56/64/1024155664.db2.gz RHOCSWRTZVLPTO-OXJNMPFZSA-N 1 2 347.462 3.540 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840012082 1024155670 /nfs/dbraw/zinc/15/56/70/1024155670.db2.gz RHOCSWRTZVLPTO-OXJNMPFZSA-N 1 2 347.462 3.540 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2C[C@@H](C)C[C@@H]2CC)nc1-c1ccccc1 ZINC000840018836 1024162840 /nfs/dbraw/zinc/16/28/40/1024162840.db2.gz PINOCLUYQPJHSX-YJBOKZPZSA-N 1 2 325.456 3.551 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)nc1-c1ccccc1 ZINC000840018836 1024162849 /nfs/dbraw/zinc/16/28/49/1024162849.db2.gz PINOCLUYQPJHSX-YJBOKZPZSA-N 1 2 325.456 3.551 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(O)c1 ZINC000022290926 1024196566 /nfs/dbraw/zinc/19/65/66/1024196566.db2.gz KKUKCEAHVQCFRG-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO C=CC[N@H+](CC(=O)NC1CCCCCCC1)Cc1cccc(C#N)c1 ZINC000063300677 1033193406 /nfs/dbraw/zinc/19/34/06/1033193406.db2.gz OXUIVUGRDODSQT-UHFFFAOYSA-N 1 2 339.483 3.775 20 0 EHADLO C=CC[N@@H+](CC(=O)NC1CCCCCCC1)Cc1cccc(C#N)c1 ZINC000063300677 1033193422 /nfs/dbraw/zinc/19/34/22/1033193422.db2.gz OXUIVUGRDODSQT-UHFFFAOYSA-N 1 2 339.483 3.775 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CCC1 ZINC000602833422 1033197196 /nfs/dbraw/zinc/19/71/96/1033197196.db2.gz ZEOMPOJHESZKEP-CQSZACIVSA-N 1 2 328.412 3.566 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1oc(-c2ccccc2)nc1C)C1CCC1 ZINC000602833422 1033197201 /nfs/dbraw/zinc/19/72/01/1033197201.db2.gz ZEOMPOJHESZKEP-CQSZACIVSA-N 1 2 328.412 3.566 20 0 EHADLO C[N@@H+](Cc1ccccc1Br)C[C@@H]1COc2ccccc2O1 ZINC000058875882 1024263667 /nfs/dbraw/zinc/26/36/67/1024263667.db2.gz HVVMRSJZRARLPR-CQSZACIVSA-N 1 2 348.240 3.721 20 0 EHADLO C[N@H+](Cc1ccccc1Br)C[C@@H]1COc2ccccc2O1 ZINC000058875882 1024263679 /nfs/dbraw/zinc/26/36/79/1024263679.db2.gz HVVMRSJZRARLPR-CQSZACIVSA-N 1 2 348.240 3.721 20 0 EHADLO COc1cccc(Cl)c1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000514231807 1024264979 /nfs/dbraw/zinc/26/49/79/1024264979.db2.gz CTMAOVOSXNRSII-HNNXBMFYSA-N 1 2 326.223 3.825 20 0 EHADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985338 1024276675 /nfs/dbraw/zinc/27/66/75/1024276675.db2.gz DDPOHENTMRAZCW-MSOLQXFVSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985338 1024276693 /nfs/dbraw/zinc/27/66/93/1024276693.db2.gz DDPOHENTMRAZCW-MSOLQXFVSA-N 1 2 340.471 3.550 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC[NH2+]1 ZINC000505468289 1024291528 /nfs/dbraw/zinc/29/15/28/1024291528.db2.gz JSGOBBFYSAFSKJ-BQFCYCMXSA-N 1 2 344.499 3.631 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000051428077 1024297714 /nfs/dbraw/zinc/29/77/14/1024297714.db2.gz WPZOTPPSNGYQJL-HNNXBMFYSA-N 1 2 345.512 3.986 20 0 EHADLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000051428077 1024297722 /nfs/dbraw/zinc/29/77/22/1024297722.db2.gz WPZOTPPSNGYQJL-HNNXBMFYSA-N 1 2 345.512 3.986 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)CCC(C)(C)C)CC[NH2+]1 ZINC000505476609 1024321376 /nfs/dbraw/zinc/32/13/76/1024321376.db2.gz MXSPLMCRAHLXSK-RDJZCZTQSA-N 1 2 332.488 3.631 20 0 EHADLO CC[N@@H+](Cc1csc(COc2ccccc2)n1)C[C@@H]1CCCO1 ZINC000051554634 1024331943 /nfs/dbraw/zinc/33/19/43/1024331943.db2.gz GHXMITMCIYGNIM-KRWDZBQOSA-N 1 2 332.469 3.723 20 0 EHADLO CC[N@H+](Cc1csc(COc2ccccc2)n1)C[C@@H]1CCCO1 ZINC000051554634 1024331962 /nfs/dbraw/zinc/33/19/62/1024331962.db2.gz GHXMITMCIYGNIM-KRWDZBQOSA-N 1 2 332.469 3.723 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(N2CCCC2=O)c1 ZINC000727468116 1024354756 /nfs/dbraw/zinc/35/47/56/1024354756.db2.gz PCHKXEATVYBXBB-CYBMUJFWSA-N 1 2 325.412 3.530 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3c2NCCC3)C[C@@H](CC(F)(F)F)O1 ZINC000895353070 1024367231 /nfs/dbraw/zinc/36/72/31/1024367231.db2.gz PYKIVEMRPXZUET-SWLSCSKDSA-N 1 2 328.378 3.586 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3c2NCCC3)C[C@@H](CC(F)(F)F)O1 ZINC000895353070 1024367247 /nfs/dbraw/zinc/36/72/47/1024367247.db2.gz PYKIVEMRPXZUET-SWLSCSKDSA-N 1 2 328.378 3.586 20 0 EHADLO COc1cccc(-c2cc(C[NH2+]Cc3nc4c(s3)CCC4)on2)c1 ZINC000897841974 1033206103 /nfs/dbraw/zinc/20/61/03/1033206103.db2.gz RGHHDESPNNOJTC-UHFFFAOYSA-N 1 2 341.436 3.585 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)s1 ZINC000430106907 1024373781 /nfs/dbraw/zinc/37/37/81/1024373781.db2.gz OQUGNEKEZACESD-MRXNPFEDSA-N 1 2 330.501 3.967 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)s1 ZINC000430106907 1024373795 /nfs/dbraw/zinc/37/37/95/1024373795.db2.gz OQUGNEKEZACESD-MRXNPFEDSA-N 1 2 330.501 3.967 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000280881664 1024394429 /nfs/dbraw/zinc/39/44/29/1024394429.db2.gz CRXNUWCACSXVEW-GOSISDBHSA-N 1 2 339.487 3.625 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000280881664 1024394445 /nfs/dbraw/zinc/39/44/45/1024394445.db2.gz CRXNUWCACSXVEW-GOSISDBHSA-N 1 2 339.487 3.625 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505513841 1024414753 /nfs/dbraw/zinc/41/47/53/1024414753.db2.gz HYMWHGBQESAJOT-KXBFYZLASA-N 1 2 332.463 3.905 20 0 EHADLO CCC[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425189091 1024415755 /nfs/dbraw/zinc/41/57/55/1024415755.db2.gz LIPHFLJRBOMGIX-WMZOPIPTSA-N 1 2 325.456 3.970 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnn(CC(F)F)c2)c2ccco2)cc1 ZINC000449783153 1033209833 /nfs/dbraw/zinc/20/98/33/1033209833.db2.gz ZSYIEYMZNAVOEB-SFHVURJKSA-N 1 2 347.365 3.629 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184480476 1024431411 /nfs/dbraw/zinc/43/14/11/1024431411.db2.gz VATZVFVQMDOQEE-HZSPNIEDSA-N 1 2 337.533 3.786 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505524781 1024435336 /nfs/dbraw/zinc/43/53/36/1024435336.db2.gz WMSBMDNJZBUCNX-IBGZPJMESA-N 1 2 326.415 3.736 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)c(C)c1 ZINC000472039398 1024440846 /nfs/dbraw/zinc/44/08/46/1024440846.db2.gz TXKINXOZBXOWMA-GOSISDBHSA-N 1 2 348.450 3.650 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000346211927 1024502802 /nfs/dbraw/zinc/50/28/02/1024502802.db2.gz CUOYZVYAEVEQAQ-UHFFFAOYSA-N 1 2 325.343 3.831 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000425242670 1024507788 /nfs/dbraw/zinc/50/77/88/1024507788.db2.gz CRTSUOQRANMBBQ-OWYHZJEWSA-N 1 2 337.467 3.969 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000346216911 1024509870 /nfs/dbraw/zinc/50/98/70/1024509870.db2.gz IENIHCVOHAAQHV-UHFFFAOYSA-N 1 2 335.407 3.787 20 0 EHADLO COc1ccc2c(c1)CCN2C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342238255 1024512334 /nfs/dbraw/zinc/51/23/34/1024512334.db2.gz LWMKFYZXORZSCR-SFHVURJKSA-N 1 2 347.418 3.530 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536369532 1024533492 /nfs/dbraw/zinc/53/34/92/1024533492.db2.gz QMMQZYPKOBMQFZ-GOSISDBHSA-N 1 2 342.508 3.662 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536369532 1024533499 /nfs/dbraw/zinc/53/34/99/1024533499.db2.gz QMMQZYPKOBMQFZ-GOSISDBHSA-N 1 2 342.508 3.662 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000684679178 1024536007 /nfs/dbraw/zinc/53/60/07/1024536007.db2.gz SIMOYAYDZAXTAQ-UHFFFAOYSA-N 1 2 337.423 3.947 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000684679178 1024536019 /nfs/dbraw/zinc/53/60/19/1024536019.db2.gz SIMOYAYDZAXTAQ-UHFFFAOYSA-N 1 2 337.423 3.947 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425259451 1024536242 /nfs/dbraw/zinc/53/62/42/1024536242.db2.gz LXVZYESWIINRFD-RDTXWAMCSA-N 1 2 349.438 3.738 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000435035595 1024558434 /nfs/dbraw/zinc/55/84/34/1024558434.db2.gz IMBWYFTZLPKCEU-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000435035595 1024558440 /nfs/dbraw/zinc/55/84/40/1024558440.db2.gz IMBWYFTZLPKCEU-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO C[NH+](C)Cc1csc(CNc2ncc(-c3ccccc3)s2)n1 ZINC000895484539 1024562701 /nfs/dbraw/zinc/56/27/01/1024562701.db2.gz MLXRSFUEQOJGRC-UHFFFAOYSA-N 1 2 330.482 3.940 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)ccc21 ZINC000366620254 1024573290 /nfs/dbraw/zinc/57/32/90/1024573290.db2.gz ONJSRFZCLWLESE-INIZCTEOSA-N 1 2 336.439 3.695 20 0 EHADLO C[N@H+](Cc1noc(Cc2ccccc2)n1)[C@H]1CCc2ccccc2C1 ZINC000114488426 1024601097 /nfs/dbraw/zinc/60/10/97/1024601097.db2.gz JUVHKUQQORCSTN-IBGZPJMESA-N 1 2 333.435 3.650 20 0 EHADLO C[N@@H+](Cc1noc(Cc2ccccc2)n1)[C@H]1CCc2ccccc2C1 ZINC000114488426 1024601101 /nfs/dbraw/zinc/60/11/01/1024601101.db2.gz JUVHKUQQORCSTN-IBGZPJMESA-N 1 2 333.435 3.650 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC3CC(c4ccccc4)C3)sc2C1 ZINC000281095903 1024625917 /nfs/dbraw/zinc/62/59/17/1024625917.db2.gz AYTURUMBXREHJF-UHFFFAOYSA-N 1 2 341.480 3.653 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC3CC(c4ccccc4)C3)sc2C1 ZINC000281095903 1024625927 /nfs/dbraw/zinc/62/59/27/1024625927.db2.gz AYTURUMBXREHJF-UHFFFAOYSA-N 1 2 341.480 3.653 20 0 EHADLO CC(C)[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(F)(F)F ZINC000425278998 1024632156 /nfs/dbraw/zinc/63/21/56/1024632156.db2.gz HTCSIQYCNPVEQB-HIFRSBDPSA-N 1 2 339.361 3.635 20 0 EHADLO O=C([C@H]1CCCC2(CC2)C1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614670156 1024637783 /nfs/dbraw/zinc/63/77/83/1024637783.db2.gz TWHQQYMEVDGBGV-INIZCTEOSA-N 1 2 347.528 3.578 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)o1 ZINC000066874963 1024644988 /nfs/dbraw/zinc/64/49/88/1024644988.db2.gz AKIFBUDXXKOABQ-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2Br)cc1 ZINC000042268060 1024649844 /nfs/dbraw/zinc/64/98/44/1024649844.db2.gz FWYAQRZAQZWPQM-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2Br)cc1 ZINC000042268060 1024649848 /nfs/dbraw/zinc/64/98/48/1024649848.db2.gz FWYAQRZAQZWPQM-UHFFFAOYSA-N 1 2 348.240 3.868 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000548602655 1024656123 /nfs/dbraw/zinc/65/61/23/1024656123.db2.gz OKUUKBHHXPHAHJ-GFCCVEGCSA-N 1 2 333.461 3.539 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343346307 1024659389 /nfs/dbraw/zinc/65/93/89/1024659389.db2.gz GLXSIYRGOUUIGF-QGZVFWFLSA-N 1 2 348.450 3.924 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000537960341 1024663754 /nfs/dbraw/zinc/66/37/54/1024663754.db2.gz RQEYWIZLSDAWLO-LLVKDONJSA-N 1 2 344.484 3.742 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cccc(Cl)c2Cl)c[nH+]1 ZINC000895633010 1024677185 /nfs/dbraw/zinc/67/71/85/1024677185.db2.gz KNHUIYBPWYJTCZ-UHFFFAOYSA-N 1 2 326.227 3.550 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000281125957 1024678663 /nfs/dbraw/zinc/67/86/63/1024678663.db2.gz MZBLOQHCGMMCQF-INIZCTEOSA-N 1 2 329.444 3.647 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC000281125957 1024678669 /nfs/dbraw/zinc/67/86/69/1024678669.db2.gz MZBLOQHCGMMCQF-INIZCTEOSA-N 1 2 329.444 3.647 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccnn2C2CCC2)[C@H](C)CO1 ZINC000892098778 1024681862 /nfs/dbraw/zinc/68/18/62/1024681862.db2.gz PCQCXLLCGJONIB-UZLBHIALSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccnn2C2CCC2)[C@H](C)CO1 ZINC000892098778 1024681870 /nfs/dbraw/zinc/68/18/70/1024681870.db2.gz PCQCXLLCGJONIB-UZLBHIALSA-N 1 2 325.456 3.879 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccc(F)cc2)O1 ZINC000892100386 1024693336 /nfs/dbraw/zinc/69/33/36/1024693336.db2.gz FBYQDTYNQBYWQY-YVEFUNNKSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccc(F)cc2)O1 ZINC000892100386 1024693341 /nfs/dbraw/zinc/69/33/41/1024693341.db2.gz FBYQDTYNQBYWQY-YVEFUNNKSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000892100383 1024693666 /nfs/dbraw/zinc/69/36/66/1024693666.db2.gz FBYQDTYNQBYWQY-PXAZEXFGSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000892100383 1024693671 /nfs/dbraw/zinc/69/36/71/1024693671.db2.gz FBYQDTYNQBYWQY-PXAZEXFGSA-N 1 2 342.370 3.635 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343355967 1024695702 /nfs/dbraw/zinc/69/57/02/1024695702.db2.gz PETOAZWFQQWVBH-QGZVFWFLSA-N 1 2 326.444 3.871 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000346442991 1024737779 /nfs/dbraw/zinc/73/77/79/1024737779.db2.gz WMKJDHPWHYRRLQ-UHFFFAOYSA-N 1 2 342.786 3.740 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC(C2CCCCC2)C1 ZINC000425318553 1024745894 /nfs/dbraw/zinc/74/58/94/1024745894.db2.gz UJXWOBYDGWVQTD-LJQANCHMSA-N 1 2 337.467 3.970 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc(Cl)c3)CC2)c1 ZINC000342296719 1024747307 /nfs/dbraw/zinc/74/73/07/1024747307.db2.gz AYJPFWZYXZDGAD-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO C[C@@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000425319376 1024748606 /nfs/dbraw/zinc/74/86/06/1024748606.db2.gz VNMVPPLXVIZUAA-CMXRIWHBSA-N 1 2 347.462 3.602 20 0 EHADLO CCn1c(C[NH2+][C@H](COC)c2ccc(F)cc2)nc2c1cccc2F ZINC000342292714 1024751925 /nfs/dbraw/zinc/75/19/25/1024751925.db2.gz GCZDRXWDPGLWHO-MRXNPFEDSA-N 1 2 345.393 3.812 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000520784110 1024766276 /nfs/dbraw/zinc/76/62/76/1024766276.db2.gz TUGVXKGLKHRTLT-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000520784110 1024766288 /nfs/dbraw/zinc/76/62/88/1024766288.db2.gz TUGVXKGLKHRTLT-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[NH+]1CCC2(COC2)CC1 ZINC001141837946 1024780567 /nfs/dbraw/zinc/78/05/67/1024780567.db2.gz VUUXHYUZUQDATM-UHFFFAOYSA-N 1 2 348.643 3.854 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)NCc3c[nH+]cn3C(C)C)n2)cc1 ZINC000425336196 1024782769 /nfs/dbraw/zinc/78/27/69/1024782769.db2.gz KFUQULDDBZXRCX-AWEZNQCLSA-N 1 2 339.443 3.927 20 0 EHADLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000346505617 1024784217 /nfs/dbraw/zinc/78/42/17/1024784217.db2.gz LVGOBEBEUJUFCL-LSDHHAIUSA-N 1 2 330.428 3.501 20 0 EHADLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000346505617 1024784224 /nfs/dbraw/zinc/78/42/24/1024784224.db2.gz LVGOBEBEUJUFCL-LSDHHAIUSA-N 1 2 330.428 3.501 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1cc(Br)ccc1F ZINC000657300519 1024789484 /nfs/dbraw/zinc/78/94/84/1024789484.db2.gz GTBXQRXVXZTVIO-UHFFFAOYSA-N 1 2 326.213 3.655 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000346519860 1024823152 /nfs/dbraw/zinc/82/31/52/1024823152.db2.gz BYMHKDBVKLOVBG-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000346519860 1024823165 /nfs/dbraw/zinc/82/31/65/1024823165.db2.gz BYMHKDBVKLOVBG-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000431323720 1024830150 /nfs/dbraw/zinc/83/01/50/1024830150.db2.gz PKGZNLDXGVIUHL-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000508014028 1024833676 /nfs/dbraw/zinc/83/36/76/1024833676.db2.gz JXBMPQNRFKGGTF-MNOVXSKESA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000508014028 1024833700 /nfs/dbraw/zinc/83/37/00/1024833700.db2.gz JXBMPQNRFKGGTF-MNOVXSKESA-N 1 2 328.239 3.878 20 0 EHADLO O=C(C=Cc1cccc(C(F)(F)F)c1)NNc1cc[nH+]cc1Cl ZINC000135875274 1033240853 /nfs/dbraw/zinc/24/08/53/1033240853.db2.gz JBKTVWXQZDOEIG-SNAWJCMRSA-N 1 2 341.720 3.910 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327650 1024901979 /nfs/dbraw/zinc/90/19/79/1024901979.db2.gz JGYWFMSSOHOEKL-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327650 1024901968 /nfs/dbraw/zinc/90/19/68/1024901968.db2.gz JGYWFMSSOHOEKL-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2nccc3c2CCCC3)CCO1 ZINC000895850389 1024912589 /nfs/dbraw/zinc/91/25/89/1024912589.db2.gz IGNSGHBYSZZONW-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2nccc3c2CCCC3)CCO1 ZINC000895850389 1024912599 /nfs/dbraw/zinc/91/25/99/1024912599.db2.gz IGNSGHBYSZZONW-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427992642 1024927547 /nfs/dbraw/zinc/92/75/47/1024927547.db2.gz MKXODNKKHQJXPF-OAHLLOKOSA-N 1 2 339.464 3.552 20 0 EHADLO Cc1nn(C(C)C)cc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000281362015 1024969262 /nfs/dbraw/zinc/96/92/62/1024969262.db2.gz NIMNXKNDLSYSSN-UHFFFAOYSA-N 1 2 339.443 3.660 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000435518612 1024973655 /nfs/dbraw/zinc/97/36/55/1024973655.db2.gz VFTDPFFMWIBQBC-CYBMUJFWSA-N 1 2 330.407 3.507 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1F ZINC000435518612 1024973661 /nfs/dbraw/zinc/97/36/61/1024973661.db2.gz VFTDPFFMWIBQBC-CYBMUJFWSA-N 1 2 330.407 3.507 20 0 EHADLO COc1ccc(NC(=O)NC2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000346653682 1024979442 /nfs/dbraw/zinc/97/94/42/1024979442.db2.gz XHUPZUZCTFDHKT-UHFFFAOYSA-N 1 2 340.427 3.635 20 0 EHADLO C[C@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000529007375 1033252631 /nfs/dbraw/zinc/25/26/31/1033252631.db2.gz FDOLMZUYZZSVPU-MRXNPFEDSA-N 1 2 329.444 3.689 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157660800 1025005359 /nfs/dbraw/zinc/00/53/59/1025005359.db2.gz CVDFQGQEBPWFSW-MRXNPFEDSA-N 1 2 329.419 3.698 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157660800 1025005373 /nfs/dbraw/zinc/00/53/73/1025005373.db2.gz CVDFQGQEBPWFSW-MRXNPFEDSA-N 1 2 329.419 3.698 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000342352736 1025023821 /nfs/dbraw/zinc/02/38/21/1025023821.db2.gz YXTXCVKCNKBVBL-SNVBAGLBSA-N 1 2 343.301 3.816 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000428220364 1025056641 /nfs/dbraw/zinc/05/66/41/1025056641.db2.gz REIQLHVTNMVKFV-KRWDZBQOSA-N 1 2 341.455 3.734 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000428220364 1025056655 /nfs/dbraw/zinc/05/66/55/1025056655.db2.gz REIQLHVTNMVKFV-KRWDZBQOSA-N 1 2 341.455 3.734 20 0 EHADLO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000519421026 1025057246 /nfs/dbraw/zinc/05/72/46/1025057246.db2.gz YGWXUQKMTNHYJM-LBPRGKRZSA-N 1 2 347.311 3.792 20 0 EHADLO Cc1c(Br)ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1F ZINC000520820148 1025075117 /nfs/dbraw/zinc/07/51/17/1025075117.db2.gz ZWEZGYDXXVKWHK-VIFPVBQESA-N 1 2 340.196 3.683 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)o1 ZINC000428237640 1025086665 /nfs/dbraw/zinc/08/66/65/1025086665.db2.gz LHPYSDMXOOBLFJ-UHFFFAOYSA-N 1 2 336.439 3.680 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)o1 ZINC000428237640 1025086674 /nfs/dbraw/zinc/08/66/74/1025086674.db2.gz LHPYSDMXOOBLFJ-UHFFFAOYSA-N 1 2 336.439 3.680 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cc(Cl)ccn1 ZINC000342373680 1025105702 /nfs/dbraw/zinc/10/57/02/1025105702.db2.gz MSRXARKHUBEMEY-CQSZACIVSA-N 1 2 326.787 3.619 20 0 EHADLO O=C(NCc1coc2ccccc12)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346771878 1025108257 /nfs/dbraw/zinc/10/82/57/1025108257.db2.gz AHVQMSHIGOVQQM-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO Brc1cccc2c(N3CC[C@@H]([C@@H]4CCOC4)C3)cc[nH+]c12 ZINC000441955450 1025115864 /nfs/dbraw/zinc/11/58/64/1025115864.db2.gz QTQPAXOKQOGBJZ-CHWSQXEVSA-N 1 2 347.256 3.860 20 0 EHADLO c1cn(-c2cccc(-c3noc(C[C@@H]4CCC5(CCC5)O4)n3)c2)c[nH+]1 ZINC000896086788 1025130427 /nfs/dbraw/zinc/13/04/27/1025130427.db2.gz IKTOJCASNHABMI-INIZCTEOSA-N 1 2 336.395 3.567 20 0 EHADLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001270013155 1025136786 /nfs/dbraw/zinc/13/67/86/1025136786.db2.gz OXDOUHMDGURHMV-CALCHBBNSA-N 1 2 347.528 3.597 20 0 EHADLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001270013155 1025136791 /nfs/dbraw/zinc/13/67/91/1025136791.db2.gz OXDOUHMDGURHMV-CALCHBBNSA-N 1 2 347.528 3.597 20 0 EHADLO CC(C)c1ccc(CCCNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000522686975 1025138860 /nfs/dbraw/zinc/13/88/60/1025138860.db2.gz UHWYPVQZYHUXAT-UHFFFAOYSA-N 1 2 340.471 3.549 20 0 EHADLO O=C(C1CCCCCC1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270012850 1025148827 /nfs/dbraw/zinc/14/88/27/1025148827.db2.gz INIRKXAQKGCOIU-UHFFFAOYSA-N 1 2 332.410 3.586 20 0 EHADLO O=C(C1CCCCCC1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270012850 1025148830 /nfs/dbraw/zinc/14/88/30/1025148830.db2.gz INIRKXAQKGCOIU-UHFFFAOYSA-N 1 2 332.410 3.586 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444033812 1025192060 /nfs/dbraw/zinc/19/20/60/1025192060.db2.gz OSYXSJLMTPRIQM-IRXDYDNUSA-N 1 2 334.508 3.910 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1c2c(nn1C)CCOC2 ZINC000892174915 1025197759 /nfs/dbraw/zinc/19/77/59/1025197759.db2.gz HRIYZBHYVKFYGE-ZDUSSCGKSA-N 1 2 348.516 3.574 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1c2c(nn1C)CCOC2 ZINC000892174915 1025197766 /nfs/dbraw/zinc/19/77/66/1025197766.db2.gz HRIYZBHYVKFYGE-ZDUSSCGKSA-N 1 2 348.516 3.574 20 0 EHADLO Cc1ccc(OCCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000521082101 1025201163 /nfs/dbraw/zinc/20/11/63/1025201163.db2.gz LLGNBMHHHJJKSA-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO Cc1ccc(OCCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000521082101 1025201172 /nfs/dbraw/zinc/20/11/72/1025201172.db2.gz LLGNBMHHHJJKSA-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000602920884 1033266563 /nfs/dbraw/zinc/26/65/63/1033266563.db2.gz RSIIMKNYGOSQFW-UHFFFAOYSA-N 1 2 333.284 3.759 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000515412322 1025222115 /nfs/dbraw/zinc/22/21/15/1025222115.db2.gz OIWVSGALELFHAT-UHFFFAOYSA-N 1 2 349.438 3.627 20 0 EHADLO Brc1ccc(CN2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896196119 1025228457 /nfs/dbraw/zinc/22/84/57/1025228457.db2.gz XHAHNXCHYPRVJP-UHFFFAOYSA-N 1 2 336.233 3.514 20 0 EHADLO Fc1cncc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000346858930 1025248229 /nfs/dbraw/zinc/24/82/29/1025248229.db2.gz ARVZAQJOVDQDHF-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cn1 ZINC000925000966 1025256225 /nfs/dbraw/zinc/25/62/25/1025256225.db2.gz UWJPDRSZULCOCM-MRXNPFEDSA-N 1 2 332.831 3.885 20 0 EHADLO CN(CCOc1ccc(Cl)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000519665168 1025269917 /nfs/dbraw/zinc/26/99/17/1025269917.db2.gz YRIVABFUDDXTLW-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO CN(CCOc1ccc(Cl)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000519665168 1025269922 /nfs/dbraw/zinc/26/99/22/1025269922.db2.gz YRIVABFUDDXTLW-UHFFFAOYSA-N 1 2 346.862 3.636 20 0 EHADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC000896246275 1025274207 /nfs/dbraw/zinc/27/42/07/1025274207.db2.gz PEKNFWXGHDFECA-CHWSQXEVSA-N 1 2 325.441 3.512 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728471401 1025274831 /nfs/dbraw/zinc/27/48/31/1025274831.db2.gz LJCGDPQOONSLTM-ZDUSSCGKSA-N 1 2 342.439 3.526 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)no1 ZINC000896236950 1025275947 /nfs/dbraw/zinc/27/59/47/1025275947.db2.gz KRQUWHIFWHAUET-JTQLQIEISA-N 1 2 343.761 3.622 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)no1 ZINC000896236950 1025275958 /nfs/dbraw/zinc/27/59/58/1025275958.db2.gz KRQUWHIFWHAUET-JTQLQIEISA-N 1 2 343.761 3.622 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055754 1033271690 /nfs/dbraw/zinc/27/16/90/1033271690.db2.gz MSRQDXIJKGVSLQ-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055754 1033271696 /nfs/dbraw/zinc/27/16/96/1033271696.db2.gz MSRQDXIJKGVSLQ-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001143436160 1025283942 /nfs/dbraw/zinc/28/39/42/1025283942.db2.gz KXWJSDCKTLRLQL-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001143436160 1025283947 /nfs/dbraw/zinc/28/39/47/1025283947.db2.gz KXWJSDCKTLRLQL-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO CCOCC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000281604376 1025289459 /nfs/dbraw/zinc/28/94/59/1025289459.db2.gz IKZWXYLYVAPGNO-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000281609217 1025292916 /nfs/dbraw/zinc/29/29/16/1025292916.db2.gz ZCSNIXDIIHWDRU-KUHUBIRLSA-N 1 2 337.398 3.899 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)C(C)(C)C ZINC000934294805 1025309127 /nfs/dbraw/zinc/30/91/27/1025309127.db2.gz UDAPKWBAZJBBJJ-MRXNPFEDSA-N 1 2 326.400 3.910 20 0 EHADLO CC(C)CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000442422343 1025309281 /nfs/dbraw/zinc/30/92/81/1025309281.db2.gz VWDDJHNZXGSGOO-RMKNXTFCSA-N 1 2 326.484 3.670 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH]nc1-c1cccs1 ZINC000436029750 1025314037 /nfs/dbraw/zinc/31/40/37/1025314037.db2.gz STRRVQPTBDQZQZ-UHFFFAOYSA-N 1 2 341.415 3.681 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccco1 ZINC000657342485 1025327181 /nfs/dbraw/zinc/32/71/81/1025327181.db2.gz ZRIBDJLSPXXPHD-ZDUSSCGKSA-N 1 2 345.365 3.535 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(Cc3ccccc3F)CC2)c[nH+]1 ZINC000896307547 1025331946 /nfs/dbraw/zinc/33/19/46/1025331946.db2.gz HBFIHTFYZOTTJJ-UHFFFAOYSA-N 1 2 343.446 3.547 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3cccc(OC4CC4)c3F)nc2c1 ZINC000657346301 1025345790 /nfs/dbraw/zinc/34/57/90/1025345790.db2.gz ASAUCBKKSQBELB-UHFFFAOYSA-N 1 2 325.387 3.613 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)oc21 ZINC000521365897 1025349635 /nfs/dbraw/zinc/34/96/35/1025349635.db2.gz DZSQNDLAUGKOKT-CHWSQXEVSA-N 1 2 341.411 3.611 20 0 EHADLO CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)oc21 ZINC000521365897 1025349652 /nfs/dbraw/zinc/34/96/52/1025349652.db2.gz DZSQNDLAUGKOKT-CHWSQXEVSA-N 1 2 341.411 3.611 20 0 EHADLO CCC1CCC(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000469745037 1025352593 /nfs/dbraw/zinc/35/25/93/1025352593.db2.gz OEZADDQLHCQXBR-AQEOSJORSA-N 1 2 332.492 3.692 20 0 EHADLO CCC1CCC(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000469745039 1025352831 /nfs/dbraw/zinc/35/28/31/1025352831.db2.gz OEZADDQLHCQXBR-CPFNUKBASA-N 1 2 332.492 3.692 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(CC)c(C)s1 ZINC000346980073 1025357720 /nfs/dbraw/zinc/35/77/20/1025357720.db2.gz OQGRLPBHMXMYNU-UHFFFAOYSA-N 1 2 333.501 3.930 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CC12CCCC2 ZINC000474699088 1025359782 /nfs/dbraw/zinc/35/97/82/1025359782.db2.gz UVWMKJDYBDTOIK-GOEBONIOSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CC12CCCC2 ZINC000474699088 1025359795 /nfs/dbraw/zinc/35/97/95/1025359795.db2.gz UVWMKJDYBDTOIK-GOEBONIOSA-N 1 2 348.437 3.626 20 0 EHADLO c1coc([C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)c2ccccc2)c1 ZINC000048684682 1025370205 /nfs/dbraw/zinc/37/02/05/1025370205.db2.gz ZYOVAMASZPOCGO-LJQANCHMSA-N 1 2 334.423 3.549 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000559541997 1025371871 /nfs/dbraw/zinc/37/18/71/1025371871.db2.gz UBOMLEUBCUYIAS-HNNXBMFYSA-N 1 2 332.463 3.857 20 0 EHADLO O=C(N[C@H]1CCCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346988546 1025390223 /nfs/dbraw/zinc/39/02/23/1025390223.db2.gz LAPSDDVZWKCPCL-IBGZPJMESA-N 1 2 335.382 3.819 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H](CC)C(C)C)CC2)cc1 ZINC000521439420 1025391551 /nfs/dbraw/zinc/39/15/51/1025391551.db2.gz NKAYMSUAXMPILE-IBGZPJMESA-N 1 2 346.515 3.802 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc2sccc2c1 ZINC000347012198 1025409103 /nfs/dbraw/zinc/40/91/03/1025409103.db2.gz VDBRPIAYYAHHNH-UHFFFAOYSA-N 1 2 325.437 3.706 20 0 EHADLO COC1(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000277493851 1025416316 /nfs/dbraw/zinc/41/63/16/1025416316.db2.gz CXPNMTZCNPYIAU-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO O=C(COc1ccccc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436181657 1025453503 /nfs/dbraw/zinc/45/35/03/1025453503.db2.gz YYFVISHABPNDHF-UHFFFAOYSA-N 1 2 347.418 3.904 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C)C1 ZINC000303524813 1025474647 /nfs/dbraw/zinc/47/46/47/1025474647.db2.gz DCMAYZHSUONYEL-CPUCHLNUSA-N 1 2 344.434 3.635 20 0 EHADLO C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H](CO)c1ccccc1 ZINC000436251995 1025511390 /nfs/dbraw/zinc/51/13/90/1025511390.db2.gz GSWVHQLQZJOYPL-JOCHJYFZSA-N 1 2 347.462 3.526 20 0 EHADLO C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H](CO)c1ccccc1 ZINC000436251995 1025511396 /nfs/dbraw/zinc/51/13/96/1025511396.db2.gz GSWVHQLQZJOYPL-JOCHJYFZSA-N 1 2 347.462 3.526 20 0 EHADLO C[C@@H]1CN(c2ccc(NC3CCC(C(F)F)CC3)c[nH+]2)C[C@H](C)O1 ZINC000442850265 1025520728 /nfs/dbraw/zinc/52/07/28/1025520728.db2.gz OYXWRTCSEXJJRO-DGKWVBSXSA-N 1 2 339.430 3.931 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)o1 ZINC000428303735 1025549039 /nfs/dbraw/zinc/54/90/39/1025549039.db2.gz REKJMNGLEBMNPC-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)o1 ZINC000428303735 1025549045 /nfs/dbraw/zinc/54/90/45/1025549045.db2.gz REKJMNGLEBMNPC-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO CC[C@]1(C)C[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882274 1025560962 /nfs/dbraw/zinc/56/09/62/1025560962.db2.gz CZKCIWHGXWMYHI-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882274 1025560978 /nfs/dbraw/zinc/56/09/78/1025560978.db2.gz CZKCIWHGXWMYHI-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442894202 1025577027 /nfs/dbraw/zinc/57/70/27/1025577027.db2.gz UTTNFGWGPIHZSC-CYBMUJFWSA-N 1 2 338.879 3.865 20 0 EHADLO Cn1nc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000898021025 1033292652 /nfs/dbraw/zinc/29/26/52/1033292652.db2.gz RFTUUIAJIGFTKE-UHFFFAOYSA-N 1 2 343.296 3.809 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467343583 1025587087 /nfs/dbraw/zinc/58/70/87/1025587087.db2.gz DLPKANUYBYLSIH-IPMKNSEASA-N 1 2 344.499 3.839 20 0 EHADLO CCCCOc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898021574 1033292852 /nfs/dbraw/zinc/29/28/52/1033292852.db2.gz LRXVQLAZVRQTNB-UHFFFAOYSA-N 1 2 341.377 3.908 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2ccoc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000442928661 1025593716 /nfs/dbraw/zinc/59/37/16/1025593716.db2.gz DBJNCKLXSNYTCJ-HBUWYVDXSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898023042 1033294121 /nfs/dbraw/zinc/29/41/21/1033294121.db2.gz SAUVIHWLMUXNRA-UHFFFAOYSA-N 1 2 327.350 3.516 20 0 EHADLO COc1ccc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000179140648 1025617938 /nfs/dbraw/zinc/61/79/38/1025617938.db2.gz LFFLSHVSZONASD-QHCPKHFHSA-N 1 2 348.855 3.754 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000443013581 1025664865 /nfs/dbraw/zinc/66/48/65/1025664865.db2.gz LPPNMOYQEPWKTC-WMZOPIPTSA-N 1 2 344.503 3.840 20 0 EHADLO CC[C@@H](Nc1ncc(C)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436402241 1025683516 /nfs/dbraw/zinc/68/35/16/1025683516.db2.gz UXFHYMUCSWZJJN-IAGOWNOFSA-N 1 2 331.485 3.543 20 0 EHADLO CC[C@@H](Nc1ncc(C)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436402241 1025683523 /nfs/dbraw/zinc/68/35/23/1025683523.db2.gz UXFHYMUCSWZJJN-IAGOWNOFSA-N 1 2 331.485 3.543 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000281919349 1025700728 /nfs/dbraw/zinc/70/07/28/1025700728.db2.gz AJZWPTZMJJINAK-LPHOPBHVSA-N 1 2 330.472 3.673 20 0 EHADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000073127094 1025702779 /nfs/dbraw/zinc/70/27/79/1025702779.db2.gz JZQXMCYOOAYLCT-AWEZNQCLSA-N 1 2 326.227 3.848 20 0 EHADLO COC(=O)[C@@H](CNc1cc[nH+]c2c(OC)cccc12)c1ccccc1 ZINC000436434347 1025713881 /nfs/dbraw/zinc/71/38/81/1025713881.db2.gz RGSKVXFVEOZSPD-INIZCTEOSA-N 1 2 336.391 3.612 20 0 EHADLO Cc1ccc([C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccn2)cc1 ZINC000530379418 1025732717 /nfs/dbraw/zinc/73/27/17/1025732717.db2.gz AARMBJXUXJTQGI-HXUWFJFHSA-N 1 2 330.435 3.989 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469762722 1025735412 /nfs/dbraw/zinc/73/54/12/1025735412.db2.gz YZKLDAAKYLVNIK-XMTFNYHQSA-N 1 2 332.492 3.692 20 0 EHADLO Cc1cc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1O ZINC000443158011 1025754069 /nfs/dbraw/zinc/75/40/69/1025754069.db2.gz XIEGQDIAMKZOAE-UHFFFAOYSA-N 1 2 346.456 3.787 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128239402 1025768185 /nfs/dbraw/zinc/76/81/85/1025768185.db2.gz WGOMCICHXYMEFN-GOEBONIOSA-N 1 2 345.512 3.984 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128239402 1025768193 /nfs/dbraw/zinc/76/81/93/1025768193.db2.gz WGOMCICHXYMEFN-GOEBONIOSA-N 1 2 345.512 3.984 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCc4cc(F)ccc43)c[nH+]2)C[C@H](C)O1 ZINC000530424997 1025794724 /nfs/dbraw/zinc/79/47/24/1025794724.db2.gz UENXOEBVGXBXMQ-BIENJYKASA-N 1 2 341.430 3.934 20 0 EHADLO CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000521974969 1025849880 /nfs/dbraw/zinc/84/98/80/1025849880.db2.gz PWEFFXFDOIAZMX-IBGZPJMESA-N 1 2 341.459 3.759 20 0 EHADLO CCc1nc(C[NH2+]Cc2cccc(Br)c2F)cs1 ZINC000394953869 1025873758 /nfs/dbraw/zinc/87/37/58/1025873758.db2.gz FHBCTDAMQNXQJH-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO COc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)sn1 ZINC000896705043 1025878186 /nfs/dbraw/zinc/87/81/86/1025878186.db2.gz AYHNBMYWJJAQTD-ZDUSSCGKSA-N 1 2 342.424 3.539 20 0 EHADLO COc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)sn1 ZINC000896705043 1025878205 /nfs/dbraw/zinc/87/82/05/1025878205.db2.gz AYHNBMYWJJAQTD-ZDUSSCGKSA-N 1 2 342.424 3.539 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C(F)F)cc1 ZINC000530474508 1025885525 /nfs/dbraw/zinc/88/55/25/1025885525.db2.gz UQYVCWGXRLFDHC-UHFFFAOYSA-N 1 2 331.366 3.654 20 0 EHADLO CCOc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c(C)c1 ZINC000051617607 1025939317 /nfs/dbraw/zinc/93/93/17/1025939317.db2.gz OTGHKFOBDVLIAT-UHFFFAOYSA-N 1 2 343.427 3.736 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1Cl ZINC000216519568 1025946286 /nfs/dbraw/zinc/94/62/86/1025946286.db2.gz RUAAEPDTCCIXJN-HNNXBMFYSA-N 1 2 342.870 3.745 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1Cl ZINC000216519568 1025946298 /nfs/dbraw/zinc/94/62/98/1025946298.db2.gz RUAAEPDTCCIXJN-HNNXBMFYSA-N 1 2 342.870 3.745 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)c1cc(C)n(C3CC3)c1C)CC2 ZINC000444241609 1025954958 /nfs/dbraw/zinc/95/49/58/1025954958.db2.gz RKYCLAJCOUTQQQ-UHFFFAOYSA-N 1 2 338.451 3.689 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)c1cc(C)n(C3CC3)c1C)CC2 ZINC000444241609 1025954966 /nfs/dbraw/zinc/95/49/66/1025954966.db2.gz RKYCLAJCOUTQQQ-UHFFFAOYSA-N 1 2 338.451 3.689 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000444257510 1025979369 /nfs/dbraw/zinc/97/93/69/1025979369.db2.gz DTWZBAOJFDJCJJ-TZMCWYRMSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000444257510 1025979375 /nfs/dbraw/zinc/97/93/75/1025979375.db2.gz DTWZBAOJFDJCJJ-TZMCWYRMSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cc(C3CC3)nc3ccc(C)cc32)[nH+]c1C ZINC000896916331 1025994122 /nfs/dbraw/zinc/99/41/22/1025994122.db2.gz CPLSULDZMGAXPS-UHFFFAOYSA-N 1 2 334.423 3.691 20 0 EHADLO Cc1ccnc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)c1 ZINC000516114271 1026002618 /nfs/dbraw/zinc/00/26/18/1026002618.db2.gz AZBCMAMZCNOVJT-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473465 1026018148 /nfs/dbraw/zinc/01/81/48/1026018148.db2.gz WFOSIQUZNQSRLQ-IAGOWNOFSA-N 1 2 331.504 3.998 20 0 EHADLO C[C@@]1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC=CCC1 ZINC000451486680 1026028717 /nfs/dbraw/zinc/02/87/17/1026028717.db2.gz DYOFTLOQHFKQDJ-HXUWFJFHSA-N 1 2 327.472 3.672 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2nc3cc(Cl)ccc3s2)[nH+]c1C ZINC000896920094 1026046363 /nfs/dbraw/zinc/04/63/63/1026046363.db2.gz IDPDRNXWGBETKJ-UHFFFAOYSA-N 1 2 348.859 3.539 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814135 1026060897 /nfs/dbraw/zinc/06/08/97/1026060897.db2.gz ZZIUSASECQZBGB-VXGBXAGGSA-N 1 2 326.227 3.772 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814135 1026060908 /nfs/dbraw/zinc/06/09/08/1026060908.db2.gz ZZIUSASECQZBGB-VXGBXAGGSA-N 1 2 326.227 3.772 20 0 EHADLO CC(C)OC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCC1 ZINC000896818269 1026073825 /nfs/dbraw/zinc/07/38/25/1026073825.db2.gz ISNXIDNHMKHNIA-UHFFFAOYSA-N 1 2 338.411 3.650 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314871 1026075887 /nfs/dbraw/zinc/07/58/87/1026075887.db2.gz UAGRCNPRFZRQMC-FUHWJXTLSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cn1 ZINC000505869533 1026079696 /nfs/dbraw/zinc/07/96/96/1026079696.db2.gz YZQGCQKRLVPWRM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cn1 ZINC000505869533 1026079708 /nfs/dbraw/zinc/07/97/08/1026079708.db2.gz YZQGCQKRLVPWRM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2nccc(Oc3ccccc3)n2)[nH+]c1C ZINC000895191628 1026085518 /nfs/dbraw/zinc/08/55/18/1026085518.db2.gz BSZHAXBQPXDBNW-MRXNPFEDSA-N 1 2 335.411 3.950 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(C)nc(-c3cccnc3)n2)[nH+]c1C ZINC000895193889 1026089970 /nfs/dbraw/zinc/08/99/70/1026089970.db2.gz VWPLUZHUZKJZFP-INIZCTEOSA-N 1 2 334.427 3.528 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366649793 1026094346 /nfs/dbraw/zinc/09/43/46/1026094346.db2.gz DLDLVKQRSLHIQW-OFQRWUPVSA-N 1 2 345.874 3.750 20 0 EHADLO COC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCCCC1 ZINC000896824105 1026097175 /nfs/dbraw/zinc/09/71/75/1026097175.db2.gz PUBINOSMIJVCDD-UHFFFAOYSA-N 1 2 338.411 3.652 20 0 EHADLO CCC(C)(C)OCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822000 1026106985 /nfs/dbraw/zinc/10/69/85/1026106985.db2.gz YAHGYQUQEBWVJZ-UHFFFAOYSA-N 1 2 326.400 3.551 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451556892 1026108366 /nfs/dbraw/zinc/10/83/66/1026108366.db2.gz DUFBUQRVEYYQNL-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000451556892 1026108367 /nfs/dbraw/zinc/10/83/67/1026108367.db2.gz DUFBUQRVEYYQNL-UEKVPHQBSA-N 1 2 345.270 3.677 20 0 EHADLO Fc1ccccc1-c1cnc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000158205289 1026118396 /nfs/dbraw/zinc/11/83/96/1026118396.db2.gz AJBBVCCOVJERTP-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO COc1cccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)c1F ZINC000375698833 1026119673 /nfs/dbraw/zinc/11/96/73/1026119673.db2.gz VBAKQFPPAJUGFH-UHFFFAOYSA-N 1 2 333.428 3.991 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000655411223 1026173863 /nfs/dbraw/zinc/17/38/63/1026173863.db2.gz HLPMVXWDGHIHBH-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000511122318 1026231964 /nfs/dbraw/zinc/23/19/64/1026231964.db2.gz PTPGBZUUBFWMNT-SFHVURJKSA-N 1 2 345.439 3.902 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000511122318 1026231972 /nfs/dbraw/zinc/23/19/72/1026231972.db2.gz PTPGBZUUBFWMNT-SFHVURJKSA-N 1 2 345.439 3.902 20 0 EHADLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000451738555 1026254827 /nfs/dbraw/zinc/25/48/27/1026254827.db2.gz SUVYKIUGFRTSKM-INIZCTEOSA-N 1 2 341.904 3.692 20 0 EHADLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000451738555 1026254836 /nfs/dbraw/zinc/25/48/36/1026254836.db2.gz SUVYKIUGFRTSKM-INIZCTEOSA-N 1 2 341.904 3.692 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)cc1F ZINC000582442990 1026268907 /nfs/dbraw/zinc/26/89/07/1026268907.db2.gz UXCXDBSUQNDZSW-CQSZACIVSA-N 1 2 340.402 3.574 20 0 EHADLO CC(C)[N@H+](C)CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000106041038 1026299897 /nfs/dbraw/zinc/29/98/97/1026299897.db2.gz FAONCYJUMIBTLQ-UHFFFAOYSA-N 1 2 340.402 3.648 20 0 EHADLO CC(C)[N@@H+](C)CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000106041038 1026299910 /nfs/dbraw/zinc/29/99/10/1026299910.db2.gz FAONCYJUMIBTLQ-UHFFFAOYSA-N 1 2 340.402 3.648 20 0 EHADLO NC(=O)[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000122209436 1026320855 /nfs/dbraw/zinc/32/08/55/1026320855.db2.gz JZLODEJQLBMVRT-ZBFHGGJFSA-N 1 2 332.856 3.693 20 0 EHADLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000342571920 1026322810 /nfs/dbraw/zinc/32/28/10/1026322810.db2.gz FAVFNHNNBYLCED-CYBMUJFWSA-N 1 2 343.496 3.533 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CCCC1 ZINC000451859359 1026332755 /nfs/dbraw/zinc/33/27/55/1026332755.db2.gz SUHANQNNDAKOBS-IBGZPJMESA-N 1 2 330.472 3.986 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CCCC1 ZINC000451859359 1026332759 /nfs/dbraw/zinc/33/27/59/1026332759.db2.gz SUHANQNNDAKOBS-IBGZPJMESA-N 1 2 330.472 3.986 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451959347 1026395481 /nfs/dbraw/zinc/39/54/81/1026395481.db2.gz NDWIMKXJVMOXFU-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000582488915 1026408970 /nfs/dbraw/zinc/40/89/70/1026408970.db2.gz XGNXIPRFRGAJLM-NWDGAFQWSA-N 1 2 340.254 3.888 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000451949783 1026409976 /nfs/dbraw/zinc/40/99/76/1026409976.db2.gz DLDLSYKZBWAMGP-UHFFFAOYSA-N 1 2 347.286 3.794 20 0 EHADLO Cc1cc(C)c(CNC(=S)Nc2ccc(OC(F)F)cc2)c[nH+]1 ZINC000840825904 1026411348 /nfs/dbraw/zinc/41/13/48/1026411348.db2.gz DTQXJYRPLKLKJZ-UHFFFAOYSA-N 1 2 337.395 3.786 20 0 EHADLO CC[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(OC)cc1 ZINC000122333041 1026411660 /nfs/dbraw/zinc/41/16/60/1026411660.db2.gz DKINDDJDNRIQHA-UHFFFAOYSA-N 1 2 331.485 3.772 20 0 EHADLO CC[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(OC)cc1 ZINC000122333041 1026411666 /nfs/dbraw/zinc/41/16/66/1026411666.db2.gz DKINDDJDNRIQHA-UHFFFAOYSA-N 1 2 331.485 3.772 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1C ZINC000277653534 1026450155 /nfs/dbraw/zinc/45/01/55/1026450155.db2.gz URMCKXOTHKAGNH-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1C ZINC000452046342 1026456518 /nfs/dbraw/zinc/45/65/18/1026456518.db2.gz VPLAOUQPTAFGDO-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)cc1C ZINC000452046342 1026456524 /nfs/dbraw/zinc/45/65/24/1026456524.db2.gz VPLAOUQPTAFGDO-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277660726 1026477820 /nfs/dbraw/zinc/47/78/20/1026477820.db2.gz OYTOSPBSSGTUEY-UPCLLVRISA-N 1 2 343.492 3.705 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277660726 1026477822 /nfs/dbraw/zinc/47/78/22/1026477822.db2.gz OYTOSPBSSGTUEY-UPCLLVRISA-N 1 2 343.492 3.705 20 0 EHADLO CC(=O)CCC(C)(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452204587 1026568693 /nfs/dbraw/zinc/56/86/93/1026568693.db2.gz HZAOTJUDJLUFCP-UHFFFAOYSA-N 1 2 347.846 3.537 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167914745 1026571865 /nfs/dbraw/zinc/57/18/65/1026571865.db2.gz UADATCBMLDMWGB-XJKSGUPXSA-N 1 2 344.459 3.604 20 0 EHADLO Cn1cc([C@]2(CNc3cc[nH+]c4c(Cl)cccc34)CCCO2)cn1 ZINC000897255843 1026587453 /nfs/dbraw/zinc/58/74/53/1026587453.db2.gz TVCZTEMPRVLOHQ-GOSISDBHSA-N 1 2 342.830 3.740 20 0 EHADLO O[C@@H]1CCOC2(CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000897259396 1026595795 /nfs/dbraw/zinc/59/57/95/1026595795.db2.gz QASOTWFLQSFDMV-LLVKDONJSA-N 1 2 336.284 3.561 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 ZINC000342653816 1026598370 /nfs/dbraw/zinc/59/83/70/1026598370.db2.gz DEOGUUAWJUNNHB-UHFFFAOYSA-N 1 2 334.398 3.752 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 ZINC000342653816 1026598374 /nfs/dbraw/zinc/59/83/74/1026598374.db2.gz DEOGUUAWJUNNHB-UHFFFAOYSA-N 1 2 334.398 3.752 20 0 EHADLO Cc1cccnc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277697130 1026598504 /nfs/dbraw/zinc/59/85/04/1026598504.db2.gz MHGNJTYLJQTHAC-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000122639053 1026630737 /nfs/dbraw/zinc/63/07/37/1026630737.db2.gz HPSVZJXHYRJCTP-UHFFFAOYSA-N 1 2 337.398 3.605 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1C ZINC000611624791 1026635775 /nfs/dbraw/zinc/63/57/75/1026635775.db2.gz QDNOWHFPXQGRQS-NUJGCVRESA-N 1 2 344.503 3.696 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(Cc2cccc(F)c2)CCC1 ZINC000452333816 1026665762 /nfs/dbraw/zinc/66/57/62/1026665762.db2.gz KMGUDYLTFGISNQ-UHFFFAOYSA-N 1 2 327.403 3.710 20 0 EHADLO Cc1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000301112263 1026690202 /nfs/dbraw/zinc/69/02/02/1026690202.db2.gz SVUOWFKOFAABAS-OAHLLOKOSA-N 1 2 328.435 3.986 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1-n1ccnn1 ZINC000582597094 1026693402 /nfs/dbraw/zinc/69/34/02/1026693402.db2.gz USNZSZALSOQDAZ-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO CC(C)Oc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301227254 1026729790 /nfs/dbraw/zinc/72/97/90/1026729790.db2.gz FNCRXTWNOGRAKU-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO CC(C)Oc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301227254 1026729795 /nfs/dbraw/zinc/72/97/95/1026729795.db2.gz FNCRXTWNOGRAKU-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3cccc(OC(F)F)c3)[nH+]cn2)C1 ZINC000301233272 1026731065 /nfs/dbraw/zinc/73/10/65/1026731065.db2.gz IYIQTHWVZLLQPS-CYBMUJFWSA-N 1 2 348.397 3.926 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3cccc(OC(F)F)c3)nc[nH+]2)C1 ZINC000301233272 1026731075 /nfs/dbraw/zinc/73/10/75/1026731075.db2.gz IYIQTHWVZLLQPS-CYBMUJFWSA-N 1 2 348.397 3.926 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000301247157 1026737311 /nfs/dbraw/zinc/73/73/11/1026737311.db2.gz QKBCRDQTKLDQFR-AWEZNQCLSA-N 1 2 346.272 3.727 20 0 EHADLO C[NH+](C)[C@@H](CNc1ncnc2sccc21)c1c(F)cccc1F ZINC000301259335 1026741085 /nfs/dbraw/zinc/74/10/85/1026741085.db2.gz FAJNUOYGWXNAJB-ZDUSSCGKSA-N 1 2 334.395 3.684 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cncc(Cl)n2)CC1 ZINC000301469407 1026817424 /nfs/dbraw/zinc/81/74/24/1026817424.db2.gz RWULKYMYAKEDLN-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO Cc1cc(NCCC2CCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000301547255 1026849879 /nfs/dbraw/zinc/84/98/79/1026849879.db2.gz PVPHJUXIGWMSDT-UHFFFAOYSA-N 1 2 344.425 3.985 20 0 EHADLO c1nc(N2CCSC3(CCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301555425 1026851187 /nfs/dbraw/zinc/85/11/87/1026851187.db2.gz RZMFCUNFPQVFMS-UHFFFAOYSA-N 1 2 332.517 3.723 20 0 EHADLO c1nc(N2CCCCC2)cc(N2CCSC3(CCCCC3)C2)[nH+]1 ZINC000301555425 1026851195 /nfs/dbraw/zinc/85/11/95/1026851195.db2.gz RZMFCUNFPQVFMS-UHFFFAOYSA-N 1 2 332.517 3.723 20 0 EHADLO c1cn(CCc2ccccc2)c(C[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000684958333 1026853108 /nfs/dbraw/zinc/85/31/08/1026853108.db2.gz XNDKVVZHEPECLJ-IBGZPJMESA-N 1 2 332.451 3.688 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000582656973 1026878738 /nfs/dbraw/zinc/87/87/38/1026878738.db2.gz PHQFUFKALYPETH-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000582656973 1026878751 /nfs/dbraw/zinc/87/87/51/1026878751.db2.gz PHQFUFKALYPETH-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000582656973 1026878765 /nfs/dbraw/zinc/87/87/65/1026878765.db2.gz PHQFUFKALYPETH-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000582656973 1026878774 /nfs/dbraw/zinc/87/87/74/1026878774.db2.gz PHQFUFKALYPETH-GOSISDBHSA-N 1 2 331.341 3.912 20 0 EHADLO O=C(C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)Nc1ccccn1 ZINC000639641820 1026879951 /nfs/dbraw/zinc/87/99/51/1026879951.db2.gz KYPNWVQIWIPTLY-IBGZPJMESA-N 1 2 345.393 3.582 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277775040 1026889883 /nfs/dbraw/zinc/88/98/83/1026889883.db2.gz DWCVTMWUDCOOLF-VFQAQYNWSA-N 1 2 349.356 3.686 20 0 EHADLO Cc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301668321 1026893090 /nfs/dbraw/zinc/89/30/90/1026893090.db2.gz PIVKABYZTFVXPK-FATZIPQQSA-N 1 2 331.485 3.843 20 0 EHADLO Cc1ccc2c(c1)[C@@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CO2 ZINC000301669588 1026893844 /nfs/dbraw/zinc/89/38/44/1026893844.db2.gz NREXEKMNLRJWAV-KRWDZBQOSA-N 1 2 343.390 3.670 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000452649324 1026898317 /nfs/dbraw/zinc/89/83/17/1026898317.db2.gz JVZNJJGQSSUKHM-GXTWGEPZSA-N 1 2 337.345 3.675 20 0 EHADLO Cc1nc(-c2ccc(CNc3[nH+]c(C)nc4[nH]ccc43)s2)cs1 ZINC000531433108 1026906303 /nfs/dbraw/zinc/90/63/03/1026906303.db2.gz KZNPGPZRWRORHB-UHFFFAOYSA-N 1 2 341.465 3.794 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccc2cccc(Br)c2n1 ZINC000301713516 1026912367 /nfs/dbraw/zinc/91/23/67/1026912367.db2.gz WAJRFRYJMFJANV-UHFFFAOYSA-N 1 2 345.244 3.720 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCCN1C(=O)COc2ccccc21 ZINC000301723106 1026915326 /nfs/dbraw/zinc/91/53/26/1026915326.db2.gz NYKFPMJHOJKPPD-UHFFFAOYSA-N 1 2 347.418 3.771 20 0 EHADLO Cc1cc(C)n(-c2ccccc2CNc2cc(NCC3CC3)[nH+]cn2)n1 ZINC000301821839 1026952011 /nfs/dbraw/zinc/95/20/11/1026952011.db2.gz KJMUPMZGFAIYJJ-UHFFFAOYSA-N 1 2 348.454 3.713 20 0 EHADLO Cc1cc(C)n(-c2ccccc2CNc2cc(NCC3CC3)nc[nH+]2)n1 ZINC000301821839 1026952021 /nfs/dbraw/zinc/95/20/21/1026952021.db2.gz KJMUPMZGFAIYJJ-UHFFFAOYSA-N 1 2 348.454 3.713 20 0 EHADLO CCc1nc2sccc2c(NCCCCNc2cccc[nH+]2)n1 ZINC000301827448 1026953912 /nfs/dbraw/zinc/95/39/12/1026953912.db2.gz NNPXVCWWGATQNH-UHFFFAOYSA-N 1 2 327.457 3.953 20 0 EHADLO Cc1ccc(-c2nc(CCNc3nc(N)c4ccccc4[nH+]3)co2)cc1 ZINC000301877089 1026975003 /nfs/dbraw/zinc/97/50/03/1026975003.db2.gz KQCFTGYWAXNXTO-UHFFFAOYSA-N 1 2 345.406 3.830 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCc1cccc(F)c1 ZINC000301880866 1026976002 /nfs/dbraw/zinc/97/60/02/1026976002.db2.gz KANUEMYMECSZPY-UHFFFAOYSA-N 1 2 327.407 3.765 20 0 EHADLO COc1cc(F)c([C@H](C)Nc2nc(N)c3ccccc3[nH+]2)cc1OC ZINC000301880654 1026976188 /nfs/dbraw/zinc/97/61/88/1026976188.db2.gz HZLQILUYEJIATE-JTQLQIEISA-N 1 2 342.374 3.541 20 0 EHADLO CC(C)(C)OC(=O)C1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301931172 1026998928 /nfs/dbraw/zinc/99/89/28/1026998928.db2.gz LJWIGHJZMQBREQ-UHFFFAOYSA-N 1 2 346.475 3.611 20 0 EHADLO CC(C)(C)OC(=O)C1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301931172 1026998936 /nfs/dbraw/zinc/99/89/36/1026998936.db2.gz LJWIGHJZMQBREQ-UHFFFAOYSA-N 1 2 346.475 3.611 20 0 EHADLO CCOc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1OC ZINC000302037610 1027031282 /nfs/dbraw/zinc/03/12/82/1027031282.db2.gz GHTYPLNLDJQHFY-UHFFFAOYSA-N 1 2 327.428 3.683 20 0 EHADLO Cc1nc(NC[C@H](C[C@@H](C)O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302056976 1027037493 /nfs/dbraw/zinc/03/74/93/1027037493.db2.gz AKYKDXYSYXPMAZ-PBHICJAKSA-N 1 2 325.456 3.630 20 0 EHADLO Cc1nc(N(C)Cc2ccc(Br)o2)c2c([nH+]1)CCCC2 ZINC000302056502 1027037712 /nfs/dbraw/zinc/03/77/12/1027037712.db2.gz QTVMQMWQAZWCCR-UHFFFAOYSA-N 1 2 336.233 3.656 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000302058559 1027038977 /nfs/dbraw/zinc/03/89/77/1027038977.db2.gz RFCWTBPWEWPAAB-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000302058559 1027038985 /nfs/dbraw/zinc/03/89/85/1027038985.db2.gz RFCWTBPWEWPAAB-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789048 1027064516 /nfs/dbraw/zinc/06/45/16/1027064516.db2.gz WQVZJOQSNNAOAN-ZDUSSCGKSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789048 1027064525 /nfs/dbraw/zinc/06/45/25/1027064525.db2.gz WQVZJOQSNNAOAN-ZDUSSCGKSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1c[nH+]c(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789048 1027064532 /nfs/dbraw/zinc/06/45/32/1027064532.db2.gz WQVZJOQSNNAOAN-ZDUSSCGKSA-N 1 2 340.254 3.689 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000531587283 1027076666 /nfs/dbraw/zinc/07/66/66/1027076666.db2.gz SGDBXNHRESPLSG-ZDUSSCGKSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000531587283 1027076673 /nfs/dbraw/zinc/07/66/73/1027076673.db2.gz SGDBXNHRESPLSG-ZDUSSCGKSA-N 1 2 330.241 3.835 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272821245 1027131816 /nfs/dbraw/zinc/13/18/16/1027131816.db2.gz CNRQIHPVVFUSEC-INIZCTEOSA-N 1 2 339.361 3.619 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272821245 1027131824 /nfs/dbraw/zinc/13/18/24/1027131824.db2.gz CNRQIHPVVFUSEC-INIZCTEOSA-N 1 2 339.361 3.619 20 0 EHADLO COc1cccc(N2CCN(c3cc[nH+]c4c(OC)cccc34)CC2)c1 ZINC000302391780 1027138125 /nfs/dbraw/zinc/13/81/25/1027138125.db2.gz CBMIVJUNLJASGD-UHFFFAOYSA-N 1 2 349.434 3.579 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(Cl)cc1F ZINC000302390503 1027138442 /nfs/dbraw/zinc/13/84/42/1027138442.db2.gz DHXCVOSHWPLWBN-UHFFFAOYSA-N 1 2 333.798 3.986 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075533367 1027146284 /nfs/dbraw/zinc/14/62/84/1027146284.db2.gz FJLFDWLSNKAGAJ-KRWDZBQOSA-N 1 2 340.471 3.664 20 0 EHADLO O=C(c1cc(Cl)cc2cccnc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532399 1027146585 /nfs/dbraw/zinc/14/65/85/1027146585.db2.gz PFIAVPOQELZYFH-CYBMUJFWSA-N 1 2 340.814 3.631 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075553865 1027168043 /nfs/dbraw/zinc/16/80/43/1027168043.db2.gz PIVBEKQMASLRCG-GOSISDBHSA-N 1 2 325.456 3.701 20 0 EHADLO COc1cccc2c(NC[C@@](C)(O)c3ccc(F)cc3F)cc[nH+]c12 ZINC000302507728 1027173484 /nfs/dbraw/zinc/17/34/84/1027173484.db2.gz FFSYTJAKQOWWRL-LJQANCHMSA-N 1 2 344.361 3.841 20 0 EHADLO CCC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000075579549 1027175788 /nfs/dbraw/zinc/17/57/88/1027175788.db2.gz SQSMVJCSGPJHSO-GOSISDBHSA-N 1 2 340.471 3.603 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076074691 1027235639 /nfs/dbraw/zinc/23/56/39/1027235639.db2.gz BVPFJFXGUKPMKW-ROUUACIJSA-N 1 2 340.471 3.739 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076078145 1027238648 /nfs/dbraw/zinc/23/86/48/1027238648.db2.gz GHRWARHGHKPOSF-QGZVFWFLSA-N 1 2 334.423 3.652 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076076936 1027238907 /nfs/dbraw/zinc/23/89/07/1027238907.db2.gz ZRTILLRPUNCSAU-XJKSGUPXSA-N 1 2 344.846 3.640 20 0 EHADLO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1noc(-c2ccccc2)n1 ZINC000153169722 1027269464 /nfs/dbraw/zinc/26/94/64/1027269464.db2.gz SEYVUXCQGKIOMW-CQSZACIVSA-N 1 2 333.391 3.863 20 0 EHADLO O=C(Nc1ccc(F)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127213856 1027286423 /nfs/dbraw/zinc/28/64/23/1027286423.db2.gz QNRXWXYUTXKRTD-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCCN(C(=O)C1CCC1)C1CC1 ZINC000531758563 1027287764 /nfs/dbraw/zinc/28/77/64/1027287764.db2.gz NISYDNVCGYBQQI-UHFFFAOYSA-N 1 2 337.467 3.558 20 0 EHADLO CCO[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1 ZINC000302797882 1027297213 /nfs/dbraw/zinc/29/72/13/1027297213.db2.gz AVRUYAQIEYNQKR-INIZCTEOSA-N 1 2 339.443 3.771 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302850678 1027327184 /nfs/dbraw/zinc/32/71/84/1027327184.db2.gz PTCCYBOUGNIMMD-IAGOWNOFSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302850678 1027327199 /nfs/dbraw/zinc/32/71/99/1027327199.db2.gz PTCCYBOUGNIMMD-IAGOWNOFSA-N 1 2 340.471 3.618 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)c2ncnn21 ZINC000657568598 1027330047 /nfs/dbraw/zinc/33/00/47/1027330047.db2.gz HNNJACVUWJUDJP-HZGVNTEJSA-N 1 2 347.669 3.551 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@H](C)n4ncnc43)s2)cc1 ZINC000657569548 1027331897 /nfs/dbraw/zinc/33/18/97/1027331897.db2.gz OWUVXONEPRODKA-IUODEOHRSA-N 1 2 325.441 3.506 20 0 EHADLO CCCc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000127648632 1027335504 /nfs/dbraw/zinc/33/55/04/1027335504.db2.gz KHYORZDGXGEMPR-GOSISDBHSA-N 1 2 325.412 3.719 20 0 EHADLO Cc1csc([C@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)n1 ZINC000273253928 1027338808 /nfs/dbraw/zinc/33/88/08/1027338808.db2.gz HPONOYKOXJSTFV-IAQYHMDHSA-N 1 2 340.452 3.640 20 0 EHADLO C[C@H]1CC(C)(C)CN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000665722992 1027346209 /nfs/dbraw/zinc/34/62/09/1027346209.db2.gz IFJCIVOSZRWGJS-RDJZCZTQSA-N 1 2 340.471 3.534 20 0 EHADLO CCc1nc(C[N@H+](CCCC(=O)OC)Cc2ccccc2)cs1 ZINC000153175972 1027359093 /nfs/dbraw/zinc/35/90/93/1027359093.db2.gz JGAIOSRQFXZPRH-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO CCc1nc(C[N@@H+](CCCC(=O)OC)Cc2ccccc2)cs1 ZINC000153175972 1027359099 /nfs/dbraw/zinc/35/90/99/1027359099.db2.gz JGAIOSRQFXZPRH-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c[nH+]1 ZINC000897291971 1027367578 /nfs/dbraw/zinc/36/75/78/1027367578.db2.gz JMCYDINKGBFKHQ-UHFFFAOYSA-N 1 2 337.467 3.859 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000077381794 1027403353 /nfs/dbraw/zinc/40/33/53/1027403353.db2.gz DCBRRNXEVNIDOU-INIZCTEOSA-N 1 2 349.390 3.802 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000077381794 1027403362 /nfs/dbraw/zinc/40/33/62/1027403362.db2.gz DCBRRNXEVNIDOU-INIZCTEOSA-N 1 2 349.390 3.802 20 0 EHADLO Cc1ccc(-c2noc(C3CC[NH+](Cc4csc(C)n4)CC3)n2)o1 ZINC000350803585 1027406014 /nfs/dbraw/zinc/40/60/14/1027406014.db2.gz FWQPFSOPRWMJFT-UHFFFAOYSA-N 1 2 344.440 3.783 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000077529729 1027424113 /nfs/dbraw/zinc/42/41/13/1027424113.db2.gz FFKGMORZCFQCFR-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO COCc1cc(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)no1 ZINC000459319626 1027560144 /nfs/dbraw/zinc/56/01/44/1027560144.db2.gz XNDQFFZSBCXLQZ-UHFFFAOYSA-N 1 2 337.423 3.900 20 0 EHADLO COCc1cc(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)no1 ZINC000459319626 1027560152 /nfs/dbraw/zinc/56/01/52/1027560152.db2.gz XNDQFFZSBCXLQZ-UHFFFAOYSA-N 1 2 337.423 3.900 20 0 EHADLO COc1ccccc1Oc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000078263889 1027580546 /nfs/dbraw/zinc/58/05/46/1027580546.db2.gz DZDWUCDCNJPOJK-UHFFFAOYSA-N 1 2 337.379 3.713 20 0 EHADLO CCC(CC)N(CCOC)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666681925 1027580737 /nfs/dbraw/zinc/58/07/37/1027580737.db2.gz HWPICZKABRHITI-SFHVURJKSA-N 1 2 343.471 3.595 20 0 EHADLO Clc1cccc2c(N3CCC(O[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000342845537 1027619429 /nfs/dbraw/zinc/61/94/29/1027619429.db2.gz GJJSXZCYXVRLRF-CQSZACIVSA-N 1 2 332.831 3.663 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000320942889 1027623946 /nfs/dbraw/zinc/62/39/46/1027623946.db2.gz FZZAMVYUMVBVLV-LLVKDONJSA-N 1 2 347.789 3.717 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000320942889 1027623954 /nfs/dbraw/zinc/62/39/54/1027623954.db2.gz FZZAMVYUMVBVLV-LLVKDONJSA-N 1 2 347.789 3.717 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1F ZINC000130190960 1027643089 /nfs/dbraw/zinc/64/30/89/1027643089.db2.gz JCNWTRYBIVMBDG-HUUCEWRRSA-N 1 2 346.471 3.896 20 0 EHADLO O=C(N[C@@H](CC(F)F)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000422253751 1027674601 /nfs/dbraw/zinc/67/46/01/1027674601.db2.gz DXDDMZJPRUCDIU-HNNXBMFYSA-N 1 2 348.397 3.695 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001211899804 1027690470 /nfs/dbraw/zinc/69/04/70/1027690470.db2.gz MRXXXRXPFVJEKH-UHFFFAOYSA-N 1 2 346.164 3.751 20 0 EHADLO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342858302 1027694106 /nfs/dbraw/zinc/69/41/06/1027694106.db2.gz XZZLRFLXNHZASC-IXDOHACOSA-N 1 2 343.496 3.722 20 0 EHADLO Nc1cc(CNc2ccc(-c3ccc(C(F)(F)F)cc3)nn2)cc[nH+]1 ZINC001167617018 1027702023 /nfs/dbraw/zinc/70/20/23/1027702023.db2.gz JEKXLESQNRDDHB-UHFFFAOYSA-N 1 2 345.328 3.752 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000533349960 1027716488 /nfs/dbraw/zinc/71/64/88/1027716488.db2.gz IYJZNGFMKOLFSF-UHFFFAOYSA-N 1 2 325.456 3.542 20 0 EHADLO Cc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c(OC(C)C)c1 ZINC000420820760 1027753544 /nfs/dbraw/zinc/75/35/44/1027753544.db2.gz XHCCDQATOAPQHE-UHFFFAOYSA-N 1 2 341.455 3.793 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC001137535549 1027758670 /nfs/dbraw/zinc/75/86/70/1027758670.db2.gz VSZGLHVOUVNXQC-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1cccc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC001137535549 1027758688 /nfs/dbraw/zinc/75/86/88/1027758688.db2.gz VSZGLHVOUVNXQC-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2cccc(Cl)c2Cl)no1 ZINC001211899956 1027775444 /nfs/dbraw/zinc/77/54/44/1027775444.db2.gz UENDPSYMALLADW-UHFFFAOYSA-N 1 2 346.164 3.751 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000342872980 1027785119 /nfs/dbraw/zinc/78/51/19/1027785119.db2.gz QLCWGJCAJIMTLQ-MGPUTAFESA-N 1 2 349.434 3.768 20 0 EHADLO COc1ccc([C@H](NC(=O)NCc2cc(C)[nH+]c(C)c2)C(C)C)cc1 ZINC000420855277 1027798782 /nfs/dbraw/zinc/79/87/82/1027798782.db2.gz WDMSEXDBIAQZOQ-LJQANCHMSA-N 1 2 341.455 3.904 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054057961 1027817810 /nfs/dbraw/zinc/81/78/10/1027817810.db2.gz MXFVCGIVMQCGKE-UHFFFAOYSA-N 1 2 345.446 3.516 20 0 EHADLO CSCc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420866942 1027826723 /nfs/dbraw/zinc/82/67/23/1027826723.db2.gz QBAHJMOAWRMZQU-UHFFFAOYSA-N 1 2 329.469 3.561 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1ccn(CC)n1 ZINC000414476796 1027829423 /nfs/dbraw/zinc/82/94/23/1027829423.db2.gz BCZUAYVCUNBKFL-OAHLLOKOSA-N 1 2 332.467 3.814 20 0 EHADLO CC[C@H](C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000420869627 1027830248 /nfs/dbraw/zinc/83/02/48/1027830248.db2.gz FYLADXPVGDRSPG-KSSFIOAISA-N 1 2 328.460 3.587 20 0 EHADLO O=C(NCCC1=CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000119890615 1027835212 /nfs/dbraw/zinc/83/52/12/1027835212.db2.gz MGXFLAMQMAZGQS-UHFFFAOYSA-N 1 2 340.427 3.584 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000305743476 1027877678 /nfs/dbraw/zinc/87/76/78/1027877678.db2.gz KBOWOPGNRLYIBM-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000305743476 1027877694 /nfs/dbraw/zinc/87/76/94/1027877694.db2.gz KBOWOPGNRLYIBM-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]C(C)(C)c2ccc(Br)cc2)n1 ZINC000420928002 1027878445 /nfs/dbraw/zinc/87/84/45/1027878445.db2.gz AZQAGHLQELMFRY-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000420954391 1027916315 /nfs/dbraw/zinc/91/63/15/1027916315.db2.gz UULYCSPLWVIROB-LLVKDONJSA-N 1 2 342.390 3.765 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000420954391 1027916335 /nfs/dbraw/zinc/91/63/35/1027916335.db2.gz UULYCSPLWVIROB-LLVKDONJSA-N 1 2 342.390 3.765 20 0 EHADLO Cc1cc(NC(=O)N(C)CCCOc2cccc(Cl)c2)c(C)c[nH+]1 ZINC000536619289 1027939176 /nfs/dbraw/zinc/93/91/76/1027939176.db2.gz WUVYXRCWRSYMJY-UHFFFAOYSA-N 1 2 347.846 3.707 20 0 EHADLO CC(C)CCOC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000188759952 1027985526 /nfs/dbraw/zinc/98/55/26/1027985526.db2.gz MQIZKTUNMMVOOC-MRXNPFEDSA-N 1 2 349.523 3.766 20 0 EHADLO CC[C@@H](C)[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434138999 1028003575 /nfs/dbraw/zinc/00/35/75/1028003575.db2.gz UBTYZIBZCHNMLY-CABCVRRESA-N 1 2 332.492 3.543 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)c1 ZINC000513739484 1028027866 /nfs/dbraw/zinc/02/78/66/1028027866.db2.gz ITLZGGOUTUDYSO-AEFFLSMTSA-N 1 2 344.499 3.727 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)s2)c1 ZINC000614833027 1028101521 /nfs/dbraw/zinc/10/15/21/1028101521.db2.gz HVUXUVHQOMMKKM-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO CCc1noc([C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)n1 ZINC000444695658 1028170814 /nfs/dbraw/zinc/17/08/14/1028170814.db2.gz SSMTUHUQGBDEKW-LLVKDONJSA-N 1 2 338.249 3.896 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)n1 ZINC000444695658 1028170819 /nfs/dbraw/zinc/17/08/19/1028170819.db2.gz SSMTUHUQGBDEKW-LLVKDONJSA-N 1 2 338.249 3.896 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)[nH+]1 ZINC000455462261 1028191887 /nfs/dbraw/zinc/19/18/87/1028191887.db2.gz BOGDBFUEBRFBKA-UHFFFAOYSA-N 1 2 349.438 3.856 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCN(C)c2ccccc2F)c(C)[nH+]1 ZINC000455462329 1028192929 /nfs/dbraw/zinc/19/29/29/1028192929.db2.gz BZFVJMJJZIYCOZ-UHFFFAOYSA-N 1 2 344.434 3.794 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1(C(F)F)CC1 ZINC000503883931 1028197918 /nfs/dbraw/zinc/19/79/18/1028197918.db2.gz GMQYJECSBFCEGO-VIFPVBQESA-N 1 2 347.203 3.554 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000135606078 1028207791 /nfs/dbraw/zinc/20/77/91/1028207791.db2.gz GMDVVCIGSJCROU-LJQANCHMSA-N 1 2 348.450 3.521 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000135606078 1028207807 /nfs/dbraw/zinc/20/78/07/1028207807.db2.gz GMDVVCIGSJCROU-LJQANCHMSA-N 1 2 348.450 3.521 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCOc2ccc(F)cc2)c(C)[nH+]1 ZINC000455473753 1028208314 /nfs/dbraw/zinc/20/83/14/1028208314.db2.gz JOFPRCXDJCSQKW-UHFFFAOYSA-N 1 2 331.391 3.737 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)o2)cc1 ZINC000135647376 1028211244 /nfs/dbraw/zinc/21/12/44/1028211244.db2.gz UHWJZLMOFRBOIB-KRWDZBQOSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+](C)[C@H]3CCCc4c3cnn4C)o2)cc1 ZINC000135647376 1028211260 /nfs/dbraw/zinc/21/12/60/1028211260.db2.gz UHWJZLMOFRBOIB-KRWDZBQOSA-N 1 2 336.439 3.893 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000523376258 1028222774 /nfs/dbraw/zinc/22/27/74/1028222774.db2.gz YKCLXPONNRSJBW-INIZCTEOSA-N 1 2 339.464 3.783 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)[nH+]1 ZINC000455493702 1028224127 /nfs/dbraw/zinc/22/41/27/1028224127.db2.gz MHUMSKZMJWLRFY-YEBMWUKDSA-N 1 2 345.468 3.627 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCCC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000455492136 1028225059 /nfs/dbraw/zinc/22/50/59/1028225059.db2.gz ZDIPPBBBGMRLLI-UHFFFAOYSA-N 1 2 335.448 3.592 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000054341227 1028227619 /nfs/dbraw/zinc/22/76/19/1028227619.db2.gz HEDHZTPYVLSVRZ-HNNXBMFYSA-N 1 2 335.444 3.683 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000054341227 1028227636 /nfs/dbraw/zinc/22/76/36/1028227636.db2.gz HEDHZTPYVLSVRZ-HNNXBMFYSA-N 1 2 335.444 3.683 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(F)c(C)c3)n2)cc1 ZINC000444745802 1028232313 /nfs/dbraw/zinc/23/23/13/1028232313.db2.gz SJTKBJUPFLLFLK-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(F)c(C)c3)n2)cc1 ZINC000444745802 1028232327 /nfs/dbraw/zinc/23/23/27/1028232327.db2.gz SJTKBJUPFLLFLK-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000455497005 1028232577 /nfs/dbraw/zinc/23/25/77/1028232577.db2.gz PKYUKTRLWUOTLA-INIZCTEOSA-N 1 2 331.391 3.655 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1noc(C)n1)[C@H](C1CCCCC1)C2 ZINC000444748475 1028235633 /nfs/dbraw/zinc/23/56/33/1028235633.db2.gz PWVJHIONKKNEMK-IBGZPJMESA-N 1 2 341.455 3.894 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1noc(C)n1)[C@H](C1CCCCC1)C2 ZINC000444748475 1028235644 /nfs/dbraw/zinc/23/56/44/1028235644.db2.gz PWVJHIONKKNEMK-IBGZPJMESA-N 1 2 341.455 3.894 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2COc3ccc(Cl)cc32)c(C)[nH+]1 ZINC000455498644 1028238715 /nfs/dbraw/zinc/23/87/15/1028238715.db2.gz RSVDUQUENCOQHW-AWEZNQCLSA-N 1 2 331.803 3.915 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136244343 1028240683 /nfs/dbraw/zinc/24/06/83/1028240683.db2.gz TZCHJFPUYGGHTC-DLBZAZTESA-N 1 2 334.508 3.743 20 0 EHADLO Cc1cccc(OCCN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455490736 1028261619 /nfs/dbraw/zinc/26/16/19/1028261619.db2.gz XMUUPJGXZYUZJR-UHFFFAOYSA-N 1 2 327.428 3.858 20 0 EHADLO CCc1ccc([C@@H]2COCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000455492801 1028265115 /nfs/dbraw/zinc/26/51/15/1028265115.db2.gz LLHNZPCVSOBMRY-INIZCTEOSA-N 1 2 343.427 3.768 20 0 EHADLO COc1ccccc1O[C@@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455501354 1028273318 /nfs/dbraw/zinc/27/33/18/1028273318.db2.gz ULTGCLIOLZDURH-AWEZNQCLSA-N 1 2 343.427 3.604 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC(C)(C)c2ncccc2C)c(C)[nH+]1 ZINC000455519799 1028275082 /nfs/dbraw/zinc/27/50/82/1028275082.db2.gz MEGPNXSIFGIQJE-UHFFFAOYSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000055696037 1028285005 /nfs/dbraw/zinc/28/50/05/1028285005.db2.gz QGYXCERQSOBBFL-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344920 1028291069 /nfs/dbraw/zinc/29/10/69/1028291069.db2.gz QQBMSHAZWADBRP-PXAZEXFGSA-N 1 2 333.863 3.974 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344920 1028291087 /nfs/dbraw/zinc/29/10/87/1028291087.db2.gz QQBMSHAZWADBRP-PXAZEXFGSA-N 1 2 333.863 3.974 20 0 EHADLO O=C(Nc1ccc(NC2CCCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151900810 1028301818 /nfs/dbraw/zinc/30/18/18/1028301818.db2.gz LRYDUMKUBBLKNH-HNNXBMFYSA-N 1 2 338.455 3.829 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)nn1C ZINC000421335808 1028303697 /nfs/dbraw/zinc/30/36/97/1028303697.db2.gz UPRWMLXQQQHDPS-LLVKDONJSA-N 1 2 346.862 3.581 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682079 1028311338 /nfs/dbraw/zinc/31/13/38/1028311338.db2.gz UUOCMVRGADMNHD-HOTGVXAUSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682079 1028311355 /nfs/dbraw/zinc/31/13/55/1028311355.db2.gz UUOCMVRGADMNHD-HOTGVXAUSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2c(F)cc(F)c(F)c2F)c(C)[nH+]1 ZINC000455539779 1028317511 /nfs/dbraw/zinc/31/75/11/1028317511.db2.gz YELOEPXLGVRXQH-UHFFFAOYSA-N 1 2 341.308 3.885 20 0 EHADLO C[C@H]1CC=C(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000455543561 1028330619 /nfs/dbraw/zinc/33/06/19/1028330619.db2.gz XRWTXOCYHJQKLW-INIZCTEOSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000056817218 1028346200 /nfs/dbraw/zinc/34/62/00/1028346200.db2.gz PJVYIUQIVUYQAU-IAGOWNOFSA-N 1 2 340.471 3.557 20 0 EHADLO CCC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cc(C)ccn1 ZINC000631686435 1028399673 /nfs/dbraw/zinc/39/96/73/1028399673.db2.gz LHCRJJWTSWAAPF-CYBMUJFWSA-N 1 2 337.265 3.517 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(CCC(F)(F)F)CC2CC2)c[nH+]1 ZINC000455552016 1028412162 /nfs/dbraw/zinc/41/21/62/1028412162.db2.gz GNCIIPXZIFQRQI-UHFFFAOYSA-N 1 2 329.366 3.572 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1OCC ZINC000069070163 1028418344 /nfs/dbraw/zinc/41/83/44/1028418344.db2.gz CVXJQNSQUMBPHW-CQSZACIVSA-N 1 2 346.427 3.709 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1OCC ZINC000069070163 1028418354 /nfs/dbraw/zinc/41/83/54/1028418354.db2.gz CVXJQNSQUMBPHW-CQSZACIVSA-N 1 2 346.427 3.709 20 0 EHADLO CC(C)N(Cc1ccccn1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000079061334 1028448294 /nfs/dbraw/zinc/44/82/94/1028448294.db2.gz LLKCUGWRAYEDMP-DHZHZOJOSA-N 1 2 346.434 3.718 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 ZINC000074156224 1028452975 /nfs/dbraw/zinc/45/29/75/1028452975.db2.gz NUVXUNICEXAQDI-HNNXBMFYSA-N 1 2 325.456 3.502 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000455558752 1028453870 /nfs/dbraw/zinc/45/38/70/1028453870.db2.gz NKBGVNGDQJNAID-LJQANCHMSA-N 1 2 339.439 3.754 20 0 EHADLO CC(C)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000079073075 1028454482 /nfs/dbraw/zinc/45/44/82/1028454482.db2.gz VBYXJZVNQYYIDM-UHFFFAOYSA-N 1 2 326.444 3.707 20 0 EHADLO Cn1cccc1-c1csc(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000342979283 1028489037 /nfs/dbraw/zinc/48/90/37/1028489037.db2.gz QMRKBCGFPVIMGN-UHFFFAOYSA-N 1 2 334.448 3.984 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c[nH+]1 ZINC000455568946 1028515026 /nfs/dbraw/zinc/51/50/26/1028515026.db2.gz JUVHQTYYCXVHDS-OCCSQVGLSA-N 1 2 329.366 3.571 20 0 EHADLO COc1ccc(OC)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000072980919 1028533384 /nfs/dbraw/zinc/53/33/84/1028533384.db2.gz KLIGPUNZVFZARJ-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000072980919 1028533395 /nfs/dbraw/zinc/53/33/95/1028533395.db2.gz KLIGPUNZVFZARJ-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000121991332 1028533560 /nfs/dbraw/zinc/53/35/60/1028533560.db2.gz TVHRITAQWDFLFZ-DZGCQCFKSA-N 1 2 345.512 3.884 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000121991332 1028533565 /nfs/dbraw/zinc/53/35/65/1028533565.db2.gz TVHRITAQWDFLFZ-DZGCQCFKSA-N 1 2 345.512 3.884 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1n[nH]c(-c2cccnc2)n1 ZINC000194532668 1028540848 /nfs/dbraw/zinc/54/08/48/1028540848.db2.gz ZOGRTQWJVNODAO-UHFFFAOYSA-N 1 2 348.435 3.653 20 0 EHADLO CC[NH+](CC)[C@@H](CNC(=O)CCCC(C)=O)c1ccccc1Cl ZINC000194551552 1028540932 /nfs/dbraw/zinc/54/09/32/1028540932.db2.gz IWWHFAMBIDUXQW-KRWDZBQOSA-N 1 2 338.879 3.598 20 0 EHADLO CC(=O)CCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194755318 1028547111 /nfs/dbraw/zinc/54/71/11/1028547111.db2.gz OQZMYIDVIZPFES-UHFFFAOYSA-N 1 2 325.412 3.584 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573628 1028567878 /nfs/dbraw/zinc/56/78/78/1028567878.db2.gz BSWWKTSXVJKVFZ-INIZCTEOSA-N 1 2 332.831 3.826 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c[nH+]1 ZINC000455574237 1028574103 /nfs/dbraw/zinc/57/41/03/1028574103.db2.gz QRGRMXMXDAQRMV-CQSZACIVSA-N 1 2 349.356 3.602 20 0 EHADLO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1cccc(Cl)c1 ZINC000195073722 1028575108 /nfs/dbraw/zinc/57/51/08/1028575108.db2.gz FSQYSMYRHBFYNS-DYVFJYSZSA-N 1 2 342.830 3.605 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000342998236 1028586609 /nfs/dbraw/zinc/58/66/09/1028586609.db2.gz VXYAKOZUXNJNJL-ZFWWWQNUSA-N 1 2 336.505 3.637 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000342998236 1028586623 /nfs/dbraw/zinc/58/66/23/1028586623.db2.gz VXYAKOZUXNJNJL-ZFWWWQNUSA-N 1 2 336.505 3.637 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000583034476 1028594350 /nfs/dbraw/zinc/59/43/50/1028594350.db2.gz NORBELMHQWFORZ-KXBFYZLASA-N 1 2 345.462 3.843 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000583034476 1028594359 /nfs/dbraw/zinc/59/43/59/1028594359.db2.gz NORBELMHQWFORZ-KXBFYZLASA-N 1 2 345.462 3.843 20 0 EHADLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1-c1cccc(Cl)c1 ZINC000074452862 1028613680 /nfs/dbraw/zinc/61/36/80/1028613680.db2.gz JLYXPWCZIPGCSE-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1Br ZINC000561065159 1028618525 /nfs/dbraw/zinc/61/85/25/1028618525.db2.gz MCWPECVBBYNNIC-CYBMUJFWSA-N 1 2 337.261 3.510 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1Br ZINC000561065159 1028618535 /nfs/dbraw/zinc/61/85/35/1028618535.db2.gz MCWPECVBBYNNIC-CYBMUJFWSA-N 1 2 337.261 3.510 20 0 EHADLO CCCCCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000523798673 1028632422 /nfs/dbraw/zinc/63/24/22/1028632422.db2.gz XPZXDCXPXCXBCG-UHFFFAOYSA-N 1 2 328.460 3.983 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523796787 1028633665 /nfs/dbraw/zinc/63/36/65/1028633665.db2.gz BZQYTNDGMWEOFL-SFHVURJKSA-N 1 2 340.471 3.983 20 0 EHADLO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cocn2)cc1 ZINC000237920365 1028670240 /nfs/dbraw/zinc/67/02/40/1028670240.db2.gz VNVRYNAUAYRONO-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079450522 1028733238 /nfs/dbraw/zinc/73/32/38/1028733238.db2.gz CEGNXEADZQIVNA-RTBURBONSA-N 1 2 340.471 3.699 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001211976332 1028735002 /nfs/dbraw/zinc/73/50/02/1028735002.db2.gz BDHFWBCGVZRGCL-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC(C)(C)F)n2)C1 ZINC000664374287 1028749505 /nfs/dbraw/zinc/74/95/05/1028749505.db2.gz QSFIZESJLACBHS-GFCCVEGCSA-N 1 2 342.484 3.635 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC(C)(C)F)n2)C1 ZINC000664374287 1028749516 /nfs/dbraw/zinc/74/95/16/1028749516.db2.gz QSFIZESJLACBHS-GFCCVEGCSA-N 1 2 342.484 3.635 20 0 EHADLO CC(C)(C)C1CC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000454314283 1028754726 /nfs/dbraw/zinc/75/47/26/1028754726.db2.gz IXDUCFKWHOUNKB-UHFFFAOYSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454339803 1028771484 /nfs/dbraw/zinc/77/14/84/1028771484.db2.gz PDINLUQSNOZSMN-AZUAARDMSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C)nc2C)c(C)c1 ZINC000532739700 1028776896 /nfs/dbraw/zinc/77/68/96/1028776896.db2.gz URVUKLWEDUKSBY-HXUWFJFHSA-N 1 2 348.450 3.683 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)c[nH+]1 ZINC000454367890 1028794287 /nfs/dbraw/zinc/79/42/87/1028794287.db2.gz BGOOZDXCCFOGFE-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2OC(F)(F)F)c[nH+]1 ZINC000454350309 1028802289 /nfs/dbraw/zinc/80/22/89/1028802289.db2.gz QEUKCNVMWAZTIC-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccnc2)no1 ZINC000123055757 1028803603 /nfs/dbraw/zinc/80/36/03/1028803603.db2.gz GFMQGJIQAMXQDE-KGLIPLIRSA-N 1 2 338.411 3.860 20 0 EHADLO Cc1cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc(C)c1O ZINC000445483073 1028842980 /nfs/dbraw/zinc/84/29/80/1028842980.db2.gz UZJNDVBAADVYCM-UHFFFAOYSA-N 1 2 332.363 3.912 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000424179470 1028851165 /nfs/dbraw/zinc/85/11/65/1028851165.db2.gz SZXSXDZYVBUTKA-SFHVURJKSA-N 1 2 343.471 3.507 20 0 EHADLO COc1ccccc1[C@H](NCc1c[nH+]cn1C(C)C)c1ccco1 ZINC000424159116 1028859170 /nfs/dbraw/zinc/85/91/70/1028859170.db2.gz UVEQNPDPYWLOJP-IBGZPJMESA-N 1 2 325.412 3.945 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)s1 ZINC000424201915 1028888480 /nfs/dbraw/zinc/88/84/80/1028888480.db2.gz PFQSTPCNPCTCDX-QMMMGPOBSA-N 1 2 328.796 3.573 20 0 EHADLO CCCc1[nH]ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000421886031 1028891053 /nfs/dbraw/zinc/89/10/53/1028891053.db2.gz GLLPCPDTLOPCDK-UHFFFAOYSA-N 1 2 340.471 3.520 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC(C)(C)c2ccc(F)cc2)c[nH+]1 ZINC000454429613 1028912829 /nfs/dbraw/zinc/91/28/29/1028912829.db2.gz JVORMSLEYACUHI-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO C[C@H]1CCN(C(=O)COc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000123490736 1028929517 /nfs/dbraw/zinc/92/95/17/1028929517.db2.gz AWJZRSLULLBUIS-OXJNMPFZSA-N 1 2 349.434 3.525 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532847407 1028952432 /nfs/dbraw/zinc/95/24/32/1028952432.db2.gz NSKSGANLAUNJTC-CVEARBPZSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532847407 1028952438 /nfs/dbraw/zinc/95/24/38/1028952438.db2.gz NSKSGANLAUNJTC-CVEARBPZSA-N 1 2 341.858 3.712 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cn1 ZINC000248895698 1028964230 /nfs/dbraw/zinc/96/42/30/1028964230.db2.gz TYIJRPNQMCYIGM-PBHICJAKSA-N 1 2 331.485 3.561 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cn1 ZINC000248895698 1028964247 /nfs/dbraw/zinc/96/42/47/1028964247.db2.gz TYIJRPNQMCYIGM-PBHICJAKSA-N 1 2 331.485 3.561 20 0 EHADLO Cc1cc(N2CCC[C@@H](CO)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000524199348 1028981279 /nfs/dbraw/zinc/98/12/79/1028981279.db2.gz WJNOTKMBYJXAAU-GFCCVEGCSA-N 1 2 340.345 3.651 20 0 EHADLO C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424310410 1028991208 /nfs/dbraw/zinc/99/12/08/1028991208.db2.gz CGZFQMXZIXGOCF-MRXNPFEDSA-N 1 2 337.423 3.554 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2C1 ZINC000504844692 1028992014 /nfs/dbraw/zinc/99/20/14/1028992014.db2.gz CUIWGUHSWXJUKH-AWEZNQCLSA-N 1 2 340.492 3.965 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2C1 ZINC000504844692 1028992030 /nfs/dbraw/zinc/99/20/30/1028992030.db2.gz CUIWGUHSWXJUKH-AWEZNQCLSA-N 1 2 340.492 3.965 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123698858 1029001018 /nfs/dbraw/zinc/00/10/18/1029001018.db2.gz ZOFJYKXKNPMWIE-OCCSQVGLSA-N 1 2 337.876 3.640 20 0 EHADLO c1cn(CCc2nc(-c3ccc(COc4ccccc4)cc3)no2)c[nH+]1 ZINC000504859016 1029015760 /nfs/dbraw/zinc/01/57/60/1029015760.db2.gz QIJKAQBEGZRLKF-UHFFFAOYSA-N 1 2 346.390 3.755 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091927002 1029025227 /nfs/dbraw/zinc/02/52/27/1029025227.db2.gz SGLLXMKOPKVPDV-WMZOPIPTSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091927002 1029025247 /nfs/dbraw/zinc/02/52/47/1029025247.db2.gz SGLLXMKOPKVPDV-WMZOPIPTSA-N 1 2 349.377 3.605 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000524256968 1029026186 /nfs/dbraw/zinc/02/61/86/1029026186.db2.gz FYVKLAXKNMTGJK-QRGKHIHXSA-N 1 2 348.490 3.956 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000524256967 1029026276 /nfs/dbraw/zinc/02/62/76/1029026276.db2.gz FYVKLAXKNMTGJK-OEMHODTASA-N 1 2 348.490 3.956 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000249839822 1029026410 /nfs/dbraw/zinc/02/64/10/1029026410.db2.gz VIFFXJPJPMPMCR-SJORKVTESA-N 1 2 344.455 3.557 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000249839822 1029026422 /nfs/dbraw/zinc/02/64/22/1029026422.db2.gz VIFFXJPJPMPMCR-SJORKVTESA-N 1 2 344.455 3.557 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c(F)c1 ZINC000249902626 1029031848 /nfs/dbraw/zinc/03/18/48/1029031848.db2.gz UFPYDGYCSULIGS-UONOGXRCSA-N 1 2 347.459 3.797 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c(F)c1 ZINC000249902626 1029031859 /nfs/dbraw/zinc/03/18/59/1029031859.db2.gz UFPYDGYCSULIGS-UONOGXRCSA-N 1 2 347.459 3.797 20 0 EHADLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000393317621 1029053255 /nfs/dbraw/zinc/05/32/55/1029053255.db2.gz ZEYUJEDLRGVITN-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1nc(-c2ccncc2)cs1 ZINC000076895784 1029055012 /nfs/dbraw/zinc/05/50/12/1029055012.db2.gz VTOGJDQOLKMERR-LBPRGKRZSA-N 1 2 339.420 3.785 20 0 EHADLO Cc1nc(CN2CCN(c3cc(C)cc[nH+]3)CC2)sc1C(C)(C)C ZINC001167657270 1029064820 /nfs/dbraw/zinc/06/48/20/1029064820.db2.gz SKLHTFWRMSBVRY-UHFFFAOYSA-N 1 2 344.528 3.775 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC=CC1 ZINC000076998574 1029068412 /nfs/dbraw/zinc/06/84/12/1029068412.db2.gz GDEFSVOAEMGELV-MRXNPFEDSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC=CC1 ZINC000076998574 1029068429 /nfs/dbraw/zinc/06/84/29/1029068429.db2.gz GDEFSVOAEMGELV-MRXNPFEDSA-N 1 2 336.838 3.526 20 0 EHADLO Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3-n3cc[nH+]c3)c2)cs1 ZINC000077030162 1029072148 /nfs/dbraw/zinc/07/21/48/1029072148.db2.gz GEDXFHKTKYGDJG-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2ccccc2Cl)c(C)o1 ZINC000583162940 1029075027 /nfs/dbraw/zinc/07/50/27/1029075027.db2.gz ZNQDADNMYUUWAY-KRWDZBQOSA-N 1 2 344.846 3.600 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccccc3)n2)c(OC)c1 ZINC000154284252 1029084340 /nfs/dbraw/zinc/08/43/40/1029084340.db2.gz KGHQIRDODWAYDD-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000271710462 1029133806 /nfs/dbraw/zinc/13/38/06/1029133806.db2.gz OIXAYVPRACRJSU-GFCCVEGCSA-N 1 2 326.227 3.730 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000271734701 1029145055 /nfs/dbraw/zinc/14/50/55/1029145055.db2.gz ZGXFLUYOGDIMEQ-SECBINFHSA-N 1 2 331.363 3.806 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458419939 1029151861 /nfs/dbraw/zinc/15/18/61/1029151861.db2.gz ALCNCWDLIISFPX-GUYCJALGSA-N 1 2 348.878 3.703 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000614963720 1029155082 /nfs/dbraw/zinc/15/50/82/1029155082.db2.gz QEXKTPPAXNWTPQ-YKSBVNFPSA-N 1 2 336.460 3.868 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C12CCC2 ZINC000271877918 1029212367 /nfs/dbraw/zinc/21/23/67/1029212367.db2.gz OOFYSIJKNCKFHF-KSZLIROESA-N 1 2 343.446 3.586 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCSc1ccccc1Cl ZINC000161690035 1029266905 /nfs/dbraw/zinc/26/69/05/1029266905.db2.gz PMXUVKVFYZATRN-UHFFFAOYSA-N 1 2 337.876 3.567 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000533081228 1029289284 /nfs/dbraw/zinc/28/92/84/1029289284.db2.gz BXWMJMZQIDKBFD-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000533081228 1029289300 /nfs/dbraw/zinc/28/93/00/1029289300.db2.gz BXWMJMZQIDKBFD-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000615039910 1029303739 /nfs/dbraw/zinc/30/37/39/1029303739.db2.gz VGQLDUMVJJTTLD-KRWDZBQOSA-N 1 2 331.847 3.709 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCCc2ccc(F)c(F)c2)c[nH+]1 ZINC000454801874 1029338289 /nfs/dbraw/zinc/33/82/89/1029338289.db2.gz CNMPEYHOUZYQPA-UHFFFAOYSA-N 1 2 347.409 3.799 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)C1CCCCC1 ZINC000455580352 1029349316 /nfs/dbraw/zinc/34/93/16/1029349316.db2.gz YIWWFYIRWFQMJZ-SFHVURJKSA-N 1 2 337.467 3.807 20 0 EHADLO CC(C)n1cc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cn1 ZINC000272232389 1029372783 /nfs/dbraw/zinc/37/27/83/1029372783.db2.gz HXMBGJNMMFXMOI-XHSDSOJGSA-N 1 2 343.475 3.646 20 0 EHADLO CC(C)C[C@@H](c1nc(COCc2ccccc2)no1)n1cc[nH+]c1 ZINC000923879074 1029392735 /nfs/dbraw/zinc/39/27/35/1029392735.db2.gz UYFIRAXNBFCLMU-INIZCTEOSA-N 1 2 326.400 3.618 20 0 EHADLO Cc1ccc(C)c([C@@H]([NH2+]Cc2nnc3n2CCC3)c2ccccc2)c1 ZINC000272300339 1029404926 /nfs/dbraw/zinc/40/49/26/1029404926.db2.gz POBHIBMDHAVZJP-NRFANRHFSA-N 1 2 332.451 3.720 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000079952803 1029416437 /nfs/dbraw/zinc/41/64/37/1029416437.db2.gz GODIIFGOHYCLFL-QGZVFWFLSA-N 1 2 348.450 3.800 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428578647 1029420445 /nfs/dbraw/zinc/42/04/45/1029420445.db2.gz HKOCVIXWPIURAD-JKSUJKDBSA-N 1 2 332.492 3.577 20 0 EHADLO Cc1sc([C@H]2COCC[NH2+]2)nc1-c1ccccc1C(F)(F)F ZINC000446141751 1029448675 /nfs/dbraw/zinc/44/86/75/1029448675.db2.gz ZOSLCGVULCIAOP-GFCCVEGCSA-N 1 2 328.359 3.798 20 0 EHADLO c1oc(-c2ccccc2)nc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000533201517 1029457642 /nfs/dbraw/zinc/45/76/42/1029457642.db2.gz FOGGCAGCVNFURQ-UHFFFAOYSA-N 1 2 334.375 3.849 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446410 1029461398 /nfs/dbraw/zinc/46/13/98/1029461398.db2.gz DBDZPIQQSMIDLO-OCCSQVGLSA-N 1 2 330.457 3.553 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446410 1029461411 /nfs/dbraw/zinc/46/14/11/1029461411.db2.gz DBDZPIQQSMIDLO-OCCSQVGLSA-N 1 2 330.457 3.553 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272495933 1029481778 /nfs/dbraw/zinc/48/17/78/1029481778.db2.gz CXIOELPXFGJQBV-LSDHHAIUSA-N 1 2 347.484 3.785 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272495933 1029481786 /nfs/dbraw/zinc/48/17/86/1029481786.db2.gz CXIOELPXFGJQBV-LSDHHAIUSA-N 1 2 347.484 3.785 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000533221104 1029483351 /nfs/dbraw/zinc/48/33/51/1029483351.db2.gz BDKDCTOQPRLLQK-HNNXBMFYSA-N 1 2 345.443 3.547 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000533221104 1029483360 /nfs/dbraw/zinc/48/33/60/1029483360.db2.gz BDKDCTOQPRLLQK-HNNXBMFYSA-N 1 2 345.443 3.547 20 0 EHADLO CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272518701 1029492839 /nfs/dbraw/zinc/49/28/39/1029492839.db2.gz ZDQXLFLMAVYPEN-IBGZPJMESA-N 1 2 334.423 3.881 20 0 EHADLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n(Cc2ccccn2)n1 ZINC001213087743 1029522658 /nfs/dbraw/zinc/52/26/58/1029522658.db2.gz YKSDXZHOWNRVPM-UHFFFAOYSA-N 1 2 330.395 3.769 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(-c4ccoc4)c3)n2)C1 ZINC000272628953 1029540432 /nfs/dbraw/zinc/54/04/32/1029540432.db2.gz KBQQOUBCZKZHCA-KRWDZBQOSA-N 1 2 339.395 3.778 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(-c4ccoc4)c3)n2)C1 ZINC000272628953 1029540440 /nfs/dbraw/zinc/54/04/40/1029540440.db2.gz KBQQOUBCZKZHCA-KRWDZBQOSA-N 1 2 339.395 3.778 20 0 EHADLO Cc1cscc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272642260 1029548198 /nfs/dbraw/zinc/54/81/98/1029548198.db2.gz LTTSYBOEWJFXTM-INIZCTEOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cscc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272642260 1029548209 /nfs/dbraw/zinc/54/82/09/1029548209.db2.gz LTTSYBOEWJFXTM-INIZCTEOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C[C@@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000054495488 1029566461 /nfs/dbraw/zinc/56/64/61/1029566461.db2.gz DFDPXOJFAINOOO-AWEZNQCLSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C[C@@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000054495488 1029566472 /nfs/dbraw/zinc/56/64/72/1029566472.db2.gz DFDPXOJFAINOOO-AWEZNQCLSA-N 1 2 345.468 3.639 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000125628200 1029569804 /nfs/dbraw/zinc/56/98/04/1029569804.db2.gz OSWKWLRMGMABTR-JENIJYKNSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(F)F ZINC000455024761 1029570821 /nfs/dbraw/zinc/57/08/21/1029570821.db2.gz PPGXALBNKQKTPU-LBPRGKRZSA-N 1 2 346.381 3.767 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000155627242 1029593371 /nfs/dbraw/zinc/59/33/71/1029593371.db2.gz KJOGDGDRSMLUFK-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000155627242 1029593376 /nfs/dbraw/zinc/59/33/76/1029593376.db2.gz KJOGDGDRSMLUFK-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO Cn1cc(CNc2[nH+]cccc2OCc2cccc(Cl)c2)cn1 ZINC000162411455 1029605975 /nfs/dbraw/zinc/60/59/75/1029605975.db2.gz JQULPZYKRCNURF-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666817467 1029610829 /nfs/dbraw/zinc/61/08/29/1029610829.db2.gz PPHKDXXDVZFIFH-ZFWWWQNUSA-N 1 2 343.858 3.851 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3CCC[C@@H]3C3CC3)c(=S)o2)c1 ZINC000728562293 1029623393 /nfs/dbraw/zinc/62/33/93/1029623393.db2.gz KVIPFSLEIOZBLC-MRXNPFEDSA-N 1 2 345.468 3.925 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3CCC[C@@H]3C3CC3)c(=S)o2)c1 ZINC000728562293 1029623400 /nfs/dbraw/zinc/62/34/00/1029623400.db2.gz KVIPFSLEIOZBLC-MRXNPFEDSA-N 1 2 345.468 3.925 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000666823781 1029626121 /nfs/dbraw/zinc/62/61/21/1029626121.db2.gz URHWGSONJNZUSN-IVMMDQJWSA-N 1 2 344.846 3.508 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000155720672 1029631383 /nfs/dbraw/zinc/63/13/83/1029631383.db2.gz VFGZHRHZRBTJSD-FXAWDEMLSA-N 1 2 337.467 3.763 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000428443795 1029654032 /nfs/dbraw/zinc/65/40/32/1029654032.db2.gz AMQYHULWVLBEOJ-GOSISDBHSA-N 1 2 328.456 3.940 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000428443795 1029654037 /nfs/dbraw/zinc/65/40/37/1029654037.db2.gz AMQYHULWVLBEOJ-GOSISDBHSA-N 1 2 328.456 3.940 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563297 1029659051 /nfs/dbraw/zinc/65/90/51/1029659051.db2.gz RNFAZEXFABCVEK-HNNXBMFYSA-N 1 2 332.448 3.589 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563297 1029659058 /nfs/dbraw/zinc/65/90/58/1029659058.db2.gz RNFAZEXFABCVEK-HNNXBMFYSA-N 1 2 332.448 3.589 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000583331126 1029663557 /nfs/dbraw/zinc/66/35/57/1029663557.db2.gz UPZGLKUTHOILMQ-MNEFBYGVSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000583331126 1029663561 /nfs/dbraw/zinc/66/35/61/1029663561.db2.gz UPZGLKUTHOILMQ-MNEFBYGVSA-N 1 2 325.456 3.691 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@H]2C2CC2)c(=S)o1 ZINC000728562890 1029689747 /nfs/dbraw/zinc/68/97/47/1029689747.db2.gz QFRAHSKKKQQNSO-AWEZNQCLSA-N 1 2 331.441 3.713 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@H]2C2CC2)c(=S)o1 ZINC000728562890 1029689752 /nfs/dbraw/zinc/68/97/52/1029689752.db2.gz QFRAHSKKKQQNSO-AWEZNQCLSA-N 1 2 331.441 3.713 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2cccc(C)n2)CCN1Cc1cccc(C)n1 ZINC000347392174 1029724456 /nfs/dbraw/zinc/72/44/56/1029724456.db2.gz QSOSGOGWULAHNA-OAQYLSRUSA-N 1 2 338.499 3.580 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2cccc(C)n2)CCN1Cc1cccc(C)n1 ZINC000347392174 1029724464 /nfs/dbraw/zinc/72/44/64/1029724464.db2.gz QSOSGOGWULAHNA-OAQYLSRUSA-N 1 2 338.499 3.580 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc([C@H]4CCC(F)(F)C4)no3)[nH]c21 ZINC000343205411 1029745758 /nfs/dbraw/zinc/74/57/58/1029745758.db2.gz JLWHHMMOKTWMMK-NSHDSACASA-N 1 2 332.354 3.942 20 0 EHADLO COc1ccc(C[NH+](Cc2cc[nH]n2)Cc2ccc(OC)cc2)cc1 ZINC000093085286 1029802673 /nfs/dbraw/zinc/80/26/73/1029802673.db2.gz ZJIYTZLDIGFAQR-UHFFFAOYSA-N 1 2 337.423 3.629 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001211580960 1029833328 /nfs/dbraw/zinc/83/33/28/1029833328.db2.gz WSBMDAVWYDTYHE-JTQLQIEISA-N 1 2 339.729 3.848 20 0 EHADLO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1cc(F)cc(F)c1 ZINC000446977422 1029870458 /nfs/dbraw/zinc/87/04/58/1029870458.db2.gz OABFDAHTNXVJPV-UHFFFAOYSA-N 1 2 345.368 3.981 20 0 EHADLO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1cc(F)cc(F)c1 ZINC000446977422 1029870466 /nfs/dbraw/zinc/87/04/66/1029870466.db2.gz OABFDAHTNXVJPV-UHFFFAOYSA-N 1 2 345.368 3.981 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)Cc3ccccc31)C2 ZINC000475648516 1029883810 /nfs/dbraw/zinc/88/38/10/1029883810.db2.gz UTGRYIOTXVOQOB-GDBMZVCRSA-N 1 2 337.467 3.863 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)Cc3ccccc31)CC2 ZINC000475648516 1029883817 /nfs/dbraw/zinc/88/38/17/1029883817.db2.gz UTGRYIOTXVOQOB-GDBMZVCRSA-N 1 2 337.467 3.863 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156603385 1029887525 /nfs/dbraw/zinc/88/75/25/1029887525.db2.gz MPMXOMVBBIQPTO-DODZYUBVSA-N 1 2 328.456 3.668 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453189707 1029889909 /nfs/dbraw/zinc/88/99/09/1029889909.db2.gz BMTJVBGVKZYKGC-NWDGAFQWSA-N 1 2 327.457 3.659 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCc1nc(C2CCCCC2)cs1 ZINC000600518888 1029909056 /nfs/dbraw/zinc/90/90/56/1029909056.db2.gz YYWFCVUBUVFLDA-UHFFFAOYSA-N 1 2 346.500 3.526 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000428689921 1029912949 /nfs/dbraw/zinc/91/29/49/1029912949.db2.gz RGQDKOLUKIYVEV-UHFFFAOYSA-N 1 2 347.488 3.637 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000455775532 1029949549 /nfs/dbraw/zinc/94/95/49/1029949549.db2.gz ZOUBBRHRWQPPCP-MAUKXSAKSA-N 1 2 342.443 3.785 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)C2CC2)cc1 ZINC000171002257 1029958719 /nfs/dbraw/zinc/95/87/19/1029958719.db2.gz UGCXVPYWEAXBJT-LJQANCHMSA-N 1 2 340.471 3.532 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1OC(F)F ZINC000127342636 1029979257 /nfs/dbraw/zinc/97/92/57/1029979257.db2.gz LQWXNQPJVQCKHW-UHFFFAOYSA-N 1 2 326.343 3.533 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1OC(F)F ZINC000127342636 1029979276 /nfs/dbraw/zinc/97/92/76/1029979276.db2.gz LQWXNQPJVQCKHW-UHFFFAOYSA-N 1 2 326.343 3.533 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)cs1 ZINC000453258771 1029990405 /nfs/dbraw/zinc/99/04/05/1029990405.db2.gz UAPYNBFQLIXBLG-ZDUSSCGKSA-N 1 2 342.468 3.541 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCCc4ccccc43)[nH+]c12 ZINC000525686039 1030035161 /nfs/dbraw/zinc/03/51/61/1030035161.db2.gz YVCVEURBQCDZSG-UHFFFAOYSA-N 1 2 333.435 3.945 20 0 EHADLO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)OC(C)(C)C ZINC000600595853 1030036618 /nfs/dbraw/zinc/03/66/18/1030036618.db2.gz MBSNIRYYQJVGEC-BPQIPLTHSA-N 1 2 348.487 3.648 20 0 EHADLO COc1ccc(C)cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058605133 1030052494 /nfs/dbraw/zinc/05/24/94/1030052494.db2.gz XZCNDVZEHCPZNI-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO COc1ccc(CC[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000536067968 1030084999 /nfs/dbraw/zinc/08/49/99/1030084999.db2.gz KSOXYZPABQJPPB-IBGZPJMESA-N 1 2 348.450 3.860 20 0 EHADLO COc1ccc(CC[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000536067968 1030085014 /nfs/dbraw/zinc/08/50/14/1030085014.db2.gz KSOXYZPABQJPPB-IBGZPJMESA-N 1 2 348.450 3.860 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000453314754 1030087235 /nfs/dbraw/zinc/08/72/35/1030087235.db2.gz GJDGIPNIJZLZDL-SECBINFHSA-N 1 2 333.741 3.823 20 0 EHADLO CCn1nccc1[C@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343284564 1030095100 /nfs/dbraw/zinc/09/51/00/1030095100.db2.gz VBVXDHLFKVCQTH-ABAIWWIYSA-N 1 2 340.349 3.507 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)n1 ZINC000453324184 1030105071 /nfs/dbraw/zinc/10/50/71/1030105071.db2.gz QJKZIBUOSKPVJV-QGZVFWFLSA-N 1 2 345.874 3.956 20 0 EHADLO Cc1nc(C)c([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)s1 ZINC000531942431 1030109886 /nfs/dbraw/zinc/10/98/86/1030109886.db2.gz QBAAFORQMCHHNP-BBRMVZONSA-N 1 2 326.469 3.934 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651375 1030110132 /nfs/dbraw/zinc/11/01/32/1030110132.db2.gz BWDLIUULRFKLJU-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651375 1030110138 /nfs/dbraw/zinc/11/01/38/1030110138.db2.gz BWDLIUULRFKLJU-NWDGAFQWSA-N 1 2 328.161 3.881 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1nccn1CC)CCC2 ZINC000453335844 1030116904 /nfs/dbraw/zinc/11/69/04/1030116904.db2.gz DXBGQAICFNBCCF-UONOGXRCSA-N 1 2 345.443 3.709 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000481918073 1030120205 /nfs/dbraw/zinc/12/02/05/1030120205.db2.gz BODFJRRMUDBHLF-HNNXBMFYSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]1C(C)C ZINC000481918073 1030120215 /nfs/dbraw/zinc/12/02/15/1030120215.db2.gz BODFJRRMUDBHLF-HNNXBMFYSA-N 1 2 329.893 3.754 20 0 EHADLO C[C@@H](c1ncc(Br)cc1F)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339129 1030122616 /nfs/dbraw/zinc/12/26/16/1030122616.db2.gz BRESHKCBGLEAIF-XHDPSFHLSA-N 1 2 343.240 3.547 20 0 EHADLO C[C@@H](c1ncc(Br)cc1F)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339129 1030122626 /nfs/dbraw/zinc/12/26/26/1030122626.db2.gz BRESHKCBGLEAIF-XHDPSFHLSA-N 1 2 343.240 3.547 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120847790 1030123216 /nfs/dbraw/zinc/12/32/16/1030123216.db2.gz QETNUNBXGMUTFC-FQEVSTJZSA-N 1 2 338.451 3.783 20 0 EHADLO Fc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000120941331 1030134751 /nfs/dbraw/zinc/13/47/51/1030134751.db2.gz KDNASCHTUWEPGM-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)o1 ZINC000453382191 1030160354 /nfs/dbraw/zinc/16/03/54/1030160354.db2.gz LOMZEBQMZGSPME-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000531969670 1030173508 /nfs/dbraw/zinc/17/35/08/1030173508.db2.gz HCVNIXCRJDAURA-LLVKDONJSA-N 1 2 338.249 3.812 20 0 EHADLO CC[C@H]1c2ccccc2CN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000897354683 1030216224 /nfs/dbraw/zinc/21/62/24/1030216224.db2.gz QOXBOASVJVVMNJ-INIZCTEOSA-N 1 2 326.469 3.501 20 0 EHADLO CC[C@H]1c2ccccc2CN1c1cc(N2CCSCC2)nc[nH+]1 ZINC000897354683 1030216240 /nfs/dbraw/zinc/21/62/40/1030216240.db2.gz QOXBOASVJVVMNJ-INIZCTEOSA-N 1 2 326.469 3.501 20 0 EHADLO CC(C)Cn1nccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657772876 1030244453 /nfs/dbraw/zinc/24/44/53/1030244453.db2.gz JKHIJGUSAOEVQI-HNNXBMFYSA-N 1 2 342.270 3.669 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(-c2ccccc2)n1 ZINC000091234225 1030245266 /nfs/dbraw/zinc/24/52/66/1030245266.db2.gz MEYPQMCGHSYCNF-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO C[C@H](C1CC1)n1nccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668015121 1030358930 /nfs/dbraw/zinc/35/89/30/1030358930.db2.gz VGAXXSHSPNVHJL-RHSMWYFYSA-N 1 2 349.438 3.738 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1sc(C)cc1Br ZINC000453592319 1030382390 /nfs/dbraw/zinc/38/23/90/1030382390.db2.gz HUQVPIMRGNDSPN-JTQLQIEISA-N 1 2 328.279 3.886 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1sc(C)cc1Br ZINC000453592332 1030383523 /nfs/dbraw/zinc/38/35/23/1030383523.db2.gz HUQVPIMRGNDSPN-SNVBAGLBSA-N 1 2 328.279 3.886 20 0 EHADLO Cc1cccc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)[nH+]1 ZINC000157280758 1030404268 /nfs/dbraw/zinc/40/42/68/1030404268.db2.gz HIAQKQYUYWUKBX-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO C[C@@H](CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343343238 1030409773 /nfs/dbraw/zinc/40/97/73/1030409773.db2.gz XRVAHEIWYQORPT-INIZCTEOSA-N 1 2 334.423 3.849 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000447695297 1030429976 /nfs/dbraw/zinc/42/99/76/1030429976.db2.gz WGHROYJQWCPORN-QFIPXVFZSA-N 1 2 345.446 3.985 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000532154844 1030442390 /nfs/dbraw/zinc/44/23/90/1030442390.db2.gz OTQZMFALTOHUGZ-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000532154844 1030442397 /nfs/dbraw/zinc/44/23/97/1030442397.db2.gz OTQZMFALTOHUGZ-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000157379890 1030475970 /nfs/dbraw/zinc/47/59/70/1030475970.db2.gz HWNXRGSUUAUEBB-GFCCVEGCSA-N 1 2 335.835 3.890 20 0 EHADLO CCn1c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc2ccccc21 ZINC000343358736 1030479049 /nfs/dbraw/zinc/47/90/49/1030479049.db2.gz IZTDSSCLYLQSKF-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO C[C@H](CC(=O)NCCCc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000583696961 1030479395 /nfs/dbraw/zinc/47/93/95/1030479395.db2.gz NWJKKJJBXNHNDU-CYBMUJFWSA-N 1 2 339.361 3.602 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593519 1030489034 /nfs/dbraw/zinc/48/90/34/1030489034.db2.gz NTTBYFNFBXZRDW-SFHVURJKSA-N 1 2 339.464 3.816 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593519 1030489044 /nfs/dbraw/zinc/48/90/44/1030489044.db2.gz NTTBYFNFBXZRDW-SFHVURJKSA-N 1 2 339.464 3.816 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1F ZINC000526987667 1030547825 /nfs/dbraw/zinc/54/78/25/1030547825.db2.gz ULNVDXYJWIQIMI-LBPRGKRZSA-N 1 2 345.418 3.815 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1F ZINC000526987667 1030547838 /nfs/dbraw/zinc/54/78/38/1030547838.db2.gz ULNVDXYJWIQIMI-LBPRGKRZSA-N 1 2 345.418 3.815 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000668091718 1030590109 /nfs/dbraw/zinc/59/01/09/1030590109.db2.gz NDUAZTLEHCWWRE-MWLCHTKSSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000668091718 1030590117 /nfs/dbraw/zinc/59/01/17/1030590117.db2.gz NDUAZTLEHCWWRE-MWLCHTKSSA-N 1 2 337.183 3.925 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)C2 ZINC000526997348 1030558124 /nfs/dbraw/zinc/55/81/24/1030558124.db2.gz WWMZCYIOUCBDTJ-HRCADAONSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)CC2 ZINC000526997348 1030558134 /nfs/dbraw/zinc/55/81/34/1030558134.db2.gz WWMZCYIOUCBDTJ-HRCADAONSA-N 1 2 331.504 3.971 20 0 EHADLO Cc1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cnn1CCC(C)C ZINC000122324443 1030570304 /nfs/dbraw/zinc/57/03/04/1030570304.db2.gz JDNMBGLFXISFOG-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093216998 1030574477 /nfs/dbraw/zinc/57/44/77/1030574477.db2.gz KMAYHAWFOOCNPV-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093216998 1030574481 /nfs/dbraw/zinc/57/44/81/1030574481.db2.gz KMAYHAWFOOCNPV-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C3CC3)o2)cc1 ZINC000093392911 1030606511 /nfs/dbraw/zinc/60/65/11/1030606511.db2.gz HNJWKPFSDOOHDU-OAHLLOKOSA-N 1 2 347.480 3.653 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C3CC3)o2)cc1 ZINC000093392911 1030606518 /nfs/dbraw/zinc/60/65/18/1030606518.db2.gz HNJWKPFSDOOHDU-OAHLLOKOSA-N 1 2 347.480 3.653 20 0 EHADLO Cc1oncc1C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000527074601 1030627333 /nfs/dbraw/zinc/62/73/33/1030627333.db2.gz ZHHYBRUFOJZYQG-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1oncc1C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000527074601 1030627341 /nfs/dbraw/zinc/62/73/41/1030627341.db2.gz ZHHYBRUFOJZYQG-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000093614578 1030644332 /nfs/dbraw/zinc/64/43/32/1030644332.db2.gz NHXUAINOTYQDGE-UHFFFAOYSA-N 1 2 325.311 3.550 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000093614578 1030644337 /nfs/dbraw/zinc/64/43/37/1030644337.db2.gz NHXUAINOTYQDGE-UHFFFAOYSA-N 1 2 325.311 3.550 20 0 EHADLO C[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc([S@](C)=O)cc1 ZINC000093713169 1030663638 /nfs/dbraw/zinc/66/36/38/1030663638.db2.gz RCIKYXRGCVLMAF-JOCHJYFZSA-N 1 2 334.510 3.780 20 0 EHADLO C[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc([S@](C)=O)cc1 ZINC000093713169 1030663645 /nfs/dbraw/zinc/66/36/45/1030663645.db2.gz RCIKYXRGCVLMAF-JOCHJYFZSA-N 1 2 334.510 3.780 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccccc1 ZINC000093899342 1030694548 /nfs/dbraw/zinc/69/45/48/1030694548.db2.gz ZSPCKWQWUQWPLU-IBGZPJMESA-N 1 2 344.430 3.534 20 0 EHADLO COc1cc(SC)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278416308 1030712726 /nfs/dbraw/zinc/71/27/26/1030712726.db2.gz ZYPZXPSCHHPJSS-LBPRGKRZSA-N 1 2 346.456 3.552 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000482812574 1030725581 /nfs/dbraw/zinc/72/55/81/1030725581.db2.gz YBULATLNJWQZFJ-LPHOPBHVSA-N 1 2 339.483 3.833 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1c3ccccc3C[C@@H]1C)C2 ZINC000527245128 1030734332 /nfs/dbraw/zinc/73/43/32/1030734332.db2.gz IUFSUANDCUWALD-ZBQZNYHESA-N 1 2 337.467 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000527245128 1030734349 /nfs/dbraw/zinc/73/43/49/1030734349.db2.gz IUFSUANDCUWALD-ZBQZNYHESA-N 1 2 337.467 3.688 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)C[C@]2(CCOC2)O1 ZINC000527243643 1030734504 /nfs/dbraw/zinc/73/45/04/1030734504.db2.gz ASDXKAFSLWZIIN-KSSFIOAISA-N 1 2 336.501 3.571 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)C[C@]2(CCOC2)O1 ZINC000527243643 1030734518 /nfs/dbraw/zinc/73/45/18/1030734518.db2.gz ASDXKAFSLWZIIN-KSSFIOAISA-N 1 2 336.501 3.571 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194228958 1030738705 /nfs/dbraw/zinc/73/87/05/1030738705.db2.gz WFXUSOBEXLIVID-UHFFFAOYSA-N 1 2 329.350 3.968 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4cnn(C5CCC5)c4)n3)c2)c[nH+]1 ZINC000923826398 1030761895 /nfs/dbraw/zinc/76/18/95/1030761895.db2.gz KSOUHPURIKHYJU-UHFFFAOYSA-N 1 2 346.394 3.570 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000171590383 1030798214 /nfs/dbraw/zinc/79/82/14/1030798214.db2.gz SEJRXLZHLATLGN-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000171590383 1030798221 /nfs/dbraw/zinc/79/82/21/1030798221.db2.gz SEJRXLZHLATLGN-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO O=C(CCC1CC1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000115001379 1030805317 /nfs/dbraw/zinc/80/53/17/1030805317.db2.gz JVVZISFCEGDRSO-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO O=C(CCC1CC1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000115001379 1030805343 /nfs/dbraw/zinc/80/53/43/1030805343.db2.gz JVVZISFCEGDRSO-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO Cc1ccccc1CN(Cc1c[nH+]c2n1CCC2)Cc1cccnc1 ZINC000668159453 1030816250 /nfs/dbraw/zinc/81/62/50/1030816250.db2.gz WPZQIGQAXDVHER-UHFFFAOYSA-N 1 2 332.451 3.735 20 0 EHADLO CC(C)(C)c1cnc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000448220758 1030845707 /nfs/dbraw/zinc/84/57/07/1030845707.db2.gz RSWCVNHKCZIIAI-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161893941 1030854266 /nfs/dbraw/zinc/85/42/66/1030854266.db2.gz PTOFFWOYTLFCOX-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161893941 1030854283 /nfs/dbraw/zinc/85/42/83/1030854283.db2.gz PTOFFWOYTLFCOX-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO Cc1ccc(F)c(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000157801236 1030871176 /nfs/dbraw/zinc/87/11/76/1030871176.db2.gz HBIDPNAQXQNYNU-UHFFFAOYSA-N 1 2 325.343 3.542 20 0 EHADLO Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000157800917 1030872107 /nfs/dbraw/zinc/87/21/07/1030872107.db2.gz GLVURZLWTREZDK-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000097079066 1030887633 /nfs/dbraw/zinc/88/76/33/1030887633.db2.gz OVQQLMIEDFNUBZ-AWEZNQCLSA-N 1 2 340.427 3.933 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000097079066 1030887656 /nfs/dbraw/zinc/88/76/56/1030887656.db2.gz OVQQLMIEDFNUBZ-AWEZNQCLSA-N 1 2 340.427 3.933 20 0 EHADLO O=S1CCC([NH2+]c2ccc(N3CCc4sccc4C3)cc2)CC1 ZINC000892360580 1030891338 /nfs/dbraw/zinc/89/13/38/1030891338.db2.gz MCNYUWOPDJTNQU-UHFFFAOYSA-N 1 2 346.521 3.634 20 0 EHADLO O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192001 1030906542 /nfs/dbraw/zinc/90/65/42/1030906542.db2.gz RELFUVLBJNJOGD-VAMGGRTRSA-N 1 2 337.467 3.706 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000448335986 1030974168 /nfs/dbraw/zinc/97/41/68/1030974168.db2.gz YHKIQKLELOCKHJ-FQEVSTJZSA-N 1 2 325.456 3.653 20 0 EHADLO c1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000448335986 1030974173 /nfs/dbraw/zinc/97/41/73/1030974173.db2.gz YHKIQKLELOCKHJ-FQEVSTJZSA-N 1 2 325.456 3.653 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)N(C)CCCn1cc[nH+]c1 ZINC000278473204 1031008210 /nfs/dbraw/zinc/00/82/10/1031008210.db2.gz INWRTAJXASNLAC-UHFFFAOYSA-N 1 2 338.455 3.656 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483197438 1031024079 /nfs/dbraw/zinc/02/40/79/1031024079.db2.gz KQITXOBWXLLXKE-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483197438 1031024101 /nfs/dbraw/zinc/02/41/01/1031024101.db2.gz KQITXOBWXLLXKE-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO Brc1sccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000527645210 1031073174 /nfs/dbraw/zinc/07/31/74/1031073174.db2.gz VTSJPYPMBDDXNH-UHFFFAOYSA-N 1 2 338.274 3.540 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1=CCCCC1 ZINC000483303449 1031098937 /nfs/dbraw/zinc/09/89/37/1031098937.db2.gz GCHJAJOCQZYVEX-HNNXBMFYSA-N 1 2 330.476 3.825 20 0 EHADLO CC(C)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1=CCCCC1 ZINC000483309937 1031105861 /nfs/dbraw/zinc/10/58/61/1031105861.db2.gz CCJWQGRACQHQIA-UHFFFAOYSA-N 1 2 330.476 3.756 20 0 EHADLO COc1cc2c(c(C[NH2+]C(C)(C)c3nc(C)cs3)c1)O[C@H](C)C2 ZINC000116382856 1031110143 /nfs/dbraw/zinc/11/01/43/1031110143.db2.gz HLHIMNYONMFXQT-GFCCVEGCSA-N 1 2 332.469 3.808 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000760539448 1031112498 /nfs/dbraw/zinc/11/24/98/1031112498.db2.gz UGYJYPBKZRKSRF-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000760539448 1031112506 /nfs/dbraw/zinc/11/25/06/1031112506.db2.gz UGYJYPBKZRKSRF-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000483346338 1031120027 /nfs/dbraw/zinc/12/00/27/1031120027.db2.gz BMXKFZBQZOEEON-CHWSQXEVSA-N 1 2 330.432 3.569 20 0 EHADLO COc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000278499506 1031129016 /nfs/dbraw/zinc/12/90/16/1031129016.db2.gz KMKNFLZVKJQGMY-GUYCJALGSA-N 1 2 342.443 3.624 20 0 EHADLO CCc1cccc(Cl)c1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000483419651 1031154778 /nfs/dbraw/zinc/15/47/78/1031154778.db2.gz INKWKVAIKYGYIB-KRWDZBQOSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1cccc(Cl)c1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000483419651 1031154785 /nfs/dbraw/zinc/15/47/85/1031154785.db2.gz INKWKVAIKYGYIB-KRWDZBQOSA-N 1 2 335.904 3.926 20 0 EHADLO Cn1nc2c(c1C[NH2+]Cc1c(F)ccc(F)c1Cl)CCCC2 ZINC000527713564 1031172631 /nfs/dbraw/zinc/17/26/31/1031172631.db2.gz ZRNJUJCRACWKIV-UHFFFAOYSA-N 1 2 325.790 3.520 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1cc(C)c(Br)s1)C1CCC1 ZINC000483445504 1031174982 /nfs/dbraw/zinc/17/49/82/1031174982.db2.gz XFEOOOGDUNRUSL-SNVBAGLBSA-N 1 2 346.290 3.735 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(C)c(Br)s1)C1CCC1 ZINC000483445504 1031174995 /nfs/dbraw/zinc/17/49/95/1031174995.db2.gz XFEOOOGDUNRUSL-SNVBAGLBSA-N 1 2 346.290 3.735 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cs1 ZINC000527746029 1031198915 /nfs/dbraw/zinc/19/89/15/1031198915.db2.gz UOOMDZIYVRKUDI-LLVKDONJSA-N 1 2 332.395 3.530 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000483527399 1031201726 /nfs/dbraw/zinc/20/17/26/1031201726.db2.gz KHVWGYVMQDKZTB-LJQANCHMSA-N 1 2 347.455 4.000 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000483527399 1031201738 /nfs/dbraw/zinc/20/17/38/1031201738.db2.gz KHVWGYVMQDKZTB-LJQANCHMSA-N 1 2 347.455 4.000 20 0 EHADLO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1Cl ZINC000278516284 1031202473 /nfs/dbraw/zinc/20/24/73/1031202473.db2.gz PNEJKTJJZVSWJE-QMMMGPOBSA-N 1 2 346.631 3.826 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c(OC)c1 ZINC000527779590 1031213996 /nfs/dbraw/zinc/21/39/96/1031213996.db2.gz HOWFYBSSKYYJFT-AWEZNQCLSA-N 1 2 337.423 3.945 20 0 EHADLO Cc1ccc2occ(CC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000527778484 1031240033 /nfs/dbraw/zinc/24/00/33/1031240033.db2.gz BIPYBNJPEFPYJK-UHFFFAOYSA-N 1 2 349.434 3.595 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174666393 1031240337 /nfs/dbraw/zinc/24/03/37/1031240337.db2.gz NXYGOXCFUCJRDP-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000483644299 1031256832 /nfs/dbraw/zinc/25/68/32/1031256832.db2.gz AHVPYBXIGSOVTP-JOCHJYFZSA-N 1 2 349.430 3.998 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000483644299 1031256848 /nfs/dbraw/zinc/25/68/48/1031256848.db2.gz AHVPYBXIGSOVTP-JOCHJYFZSA-N 1 2 349.430 3.998 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527818546 1031257768 /nfs/dbraw/zinc/25/77/68/1031257768.db2.gz DBSMZIGJVCVMCN-UHFFFAOYSA-N 1 2 345.446 3.670 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2scnc2C(C)C)CC1 ZINC000448587663 1031262149 /nfs/dbraw/zinc/26/21/49/1031262149.db2.gz NMRUJPHECZQHMM-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO O=C([C@@H]1CCCC[C@@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000448566895 1031263511 /nfs/dbraw/zinc/26/35/11/1031263511.db2.gz VISOWBLCSSBUQF-WOJBJXKFSA-N 1 2 349.478 3.704 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000163107770 1031274228 /nfs/dbraw/zinc/27/42/28/1031274228.db2.gz KBXBCXQJHCNIHE-INIZCTEOSA-N 1 2 343.496 3.569 20 0 EHADLO CCCC[C@H](CCC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428638766 1031279468 /nfs/dbraw/zinc/27/94/68/1031279468.db2.gz CMWOKJNAKLWBNY-SFHVURJKSA-N 1 2 332.488 3.608 20 0 EHADLO FC1(F)Oc2cccc(CNc3ccc(N4CCCC4)[nH+]c3)c2O1 ZINC001168355606 1031284677 /nfs/dbraw/zinc/28/46/77/1031284677.db2.gz RVUQBWWCRHUKAE-UHFFFAOYSA-N 1 2 333.338 3.615 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000448592101 1031295117 /nfs/dbraw/zinc/29/51/17/1031295117.db2.gz LWABEKIASPPULG-SOLBZPMBSA-N 1 2 330.472 3.530 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC2(CCCC2)C1 ZINC000175181812 1031308929 /nfs/dbraw/zinc/30/89/29/1031308929.db2.gz GIESSFDDLRQYGX-UHFFFAOYSA-N 1 2 342.487 3.548 20 0 EHADLO CCOc1ncccc1C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527853311 1031325472 /nfs/dbraw/zinc/32/54/72/1031325472.db2.gz URYGJTPNVVXUBI-OAHLLOKOSA-N 1 2 336.439 3.732 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000448641213 1031372615 /nfs/dbraw/zinc/37/26/15/1031372615.db2.gz YKFZIKWSBCGZKY-MOPGFXCFSA-N 1 2 339.483 3.807 20 0 EHADLO CCOc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000635395050 1031405404 /nfs/dbraw/zinc/40/54/04/1031405404.db2.gz MXLCTZJQMWYSFB-ZDUSSCGKSA-N 1 2 345.296 3.553 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000635396518 1031409725 /nfs/dbraw/zinc/40/97/25/1031409725.db2.gz MHFARKFXAUMEOC-IBGZPJMESA-N 1 2 338.451 3.833 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000635396518 1031409741 /nfs/dbraw/zinc/40/97/41/1031409741.db2.gz MHFARKFXAUMEOC-IBGZPJMESA-N 1 2 338.451 3.833 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000448680798 1031414145 /nfs/dbraw/zinc/41/41/45/1031414145.db2.gz LXKDCPHJQHKZFJ-MDZRGWNJSA-N 1 2 325.456 3.620 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc2c1CCCC2 ZINC000448661596 1031429723 /nfs/dbraw/zinc/42/97/23/1031429723.db2.gz TVXIOWZQGZSUNI-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448679122 1031458862 /nfs/dbraw/zinc/45/88/62/1031458862.db2.gz BYQQWFBRPLGZAR-HNNXBMFYSA-N 1 2 339.361 3.526 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1ccncn1 ZINC000527951402 1031482600 /nfs/dbraw/zinc/48/26/00/1031482600.db2.gz RSVSNWFUCLLDLM-IUCAKERBSA-N 1 2 342.187 3.929 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCSC(C)(C)C1 ZINC000083417648 1031498761 /nfs/dbraw/zinc/49/87/61/1031498761.db2.gz NEUMAHUNOSZLJI-JTQLQIEISA-N 1 2 330.856 3.634 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCSC(C)(C)C1 ZINC000083417648 1031498773 /nfs/dbraw/zinc/49/87/73/1031498773.db2.gz NEUMAHUNOSZLJI-JTQLQIEISA-N 1 2 330.856 3.634 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127216547 1031502870 /nfs/dbraw/zinc/50/28/70/1031502870.db2.gz UWFOFYAIJFKVSH-FUHWJXTLSA-N 1 2 348.393 3.658 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127216547 1031502881 /nfs/dbraw/zinc/50/28/81/1031502881.db2.gz UWFOFYAIJFKVSH-FUHWJXTLSA-N 1 2 348.393 3.658 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000347426914 1031514589 /nfs/dbraw/zinc/51/45/89/1031514589.db2.gz JBLIOMPKYSDLEQ-AWEZNQCLSA-N 1 2 339.464 3.584 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347433247 1031530406 /nfs/dbraw/zinc/53/04/06/1031530406.db2.gz PSGGHRJNEGRQFV-NVXWUHKLSA-N 1 2 343.496 3.697 20 0 EHADLO CC(C)(C)c1ccc(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)cc1 ZINC000073276379 1031533867 /nfs/dbraw/zinc/53/38/67/1031533867.db2.gz ADHCBRQKDIPKIJ-UHFFFAOYSA-N 1 2 340.452 3.943 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cs1 ZINC000177467002 1031542186 /nfs/dbraw/zinc/54/21/86/1031542186.db2.gz KYDPKCLJWGBRFQ-INIZCTEOSA-N 1 2 338.517 3.601 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2nccn2C(F)F)c2ccc(F)cc2O1 ZINC000133295032 1031574564 /nfs/dbraw/zinc/57/45/64/1031574564.db2.gz PFOQNVOTPIEEOT-LBPRGKRZSA-N 1 2 325.334 3.809 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H](c1ccco1)c1ccccc1 ZINC000177584987 1031577681 /nfs/dbraw/zinc/57/76/81/1031577681.db2.gz LXEUULGTOPWLOF-IBGZPJMESA-N 1 2 346.390 3.516 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204672 1031586074 /nfs/dbraw/zinc/58/60/74/1031586074.db2.gz QDKAHHCITNAOMM-UHFFFAOYSA-N 1 2 336.863 3.965 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204672 1031586085 /nfs/dbraw/zinc/58/60/85/1031586085.db2.gz QDKAHHCITNAOMM-UHFFFAOYSA-N 1 2 336.863 3.965 20 0 EHADLO CCc1c2ccccc2oc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000448761750 1031612679 /nfs/dbraw/zinc/61/26/79/1031612679.db2.gz WDSBRRXLMSKTLC-UHFFFAOYSA-N 1 2 341.436 3.692 20 0 EHADLO CCc1c2ccccc2oc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000448761750 1031612689 /nfs/dbraw/zinc/61/26/89/1031612689.db2.gz WDSBRRXLMSKTLC-UHFFFAOYSA-N 1 2 341.436 3.692 20 0 EHADLO CC1(c2ccccc2-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000904028446 1031633688 /nfs/dbraw/zinc/63/36/88/1031633688.db2.gz DPMVMBZZSPLZGG-WMLDXEAASA-N 1 2 339.439 3.714 20 0 EHADLO CC1(c2ccccc2-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000904028446 1031633699 /nfs/dbraw/zinc/63/36/99/1031633699.db2.gz DPMVMBZZSPLZGG-WMLDXEAASA-N 1 2 339.439 3.714 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347460130 1031636669 /nfs/dbraw/zinc/63/66/69/1031636669.db2.gz FCUBAEFHMZHIOP-XDNAFOTISA-N 1 2 347.503 3.500 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000178171611 1031639324 /nfs/dbraw/zinc/63/93/24/1031639324.db2.gz KKVRYAFWCRVNSC-UHFFFAOYSA-N 1 2 347.378 3.675 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000178185507 1031639462 /nfs/dbraw/zinc/63/94/62/1031639462.db2.gz YOMYYAOJDCBNEA-UHFFFAOYSA-N 1 2 330.331 3.518 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000347462489 1031646642 /nfs/dbraw/zinc/64/66/42/1031646642.db2.gz GZVJKULFFUHOKR-ZFWWWQNUSA-N 1 2 331.847 3.583 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2nccn21)c1nc(C(F)(F)F)cs1 ZINC000278614744 1031655792 /nfs/dbraw/zinc/65/57/92/1031655792.db2.gz DDMNVXWCVVGMNY-VIFPVBQESA-N 1 2 326.347 3.660 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(C(F)(F)F)c1 ZINC000178155293 1031660785 /nfs/dbraw/zinc/66/07/85/1031660785.db2.gz NPMUHFNVTHPNKZ-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO O=C([O-])C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000904026811 1031672684 /nfs/dbraw/zinc/67/26/84/1031672684.db2.gz LTPCOIPNIHAJGU-HNNXBMFYSA-N 1 2 347.484 3.695 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443340110 1031677224 /nfs/dbraw/zinc/67/72/24/1031677224.db2.gz FUFKBCHIJJMQRW-MRVPVSSYSA-N 1 2 344.230 3.741 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000084739641 1031681606 /nfs/dbraw/zinc/68/16/06/1031681606.db2.gz KAISTIYLGFOCJF-SNAWJCMRSA-N 1 2 335.451 3.710 20 0 EHADLO O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1ccn2cc[nH+]c2c1 ZINC000178382064 1031690548 /nfs/dbraw/zinc/69/05/48/1031690548.db2.gz NYGNUVCRTUIIDZ-OAHLLOKOSA-N 1 2 347.340 3.687 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(-c2ccccc2F)o1 ZINC000178385323 1031692868 /nfs/dbraw/zinc/69/28/68/1031692868.db2.gz RDUFLTPJAUGCCF-UHFFFAOYSA-N 1 2 335.338 3.663 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](CCOc3ccccc3OC)CCO2)cc1 ZINC000484554744 1031718174 /nfs/dbraw/zinc/71/81/74/1031718174.db2.gz CBIGRBVEIIMDIL-OAQYLSRUSA-N 1 2 341.451 3.710 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](CCOc3ccccc3OC)CCO2)cc1 ZINC000484554744 1031718191 /nfs/dbraw/zinc/71/81/91/1031718191.db2.gz CBIGRBVEIIMDIL-OAQYLSRUSA-N 1 2 341.451 3.710 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)N1c1cc(N2CCCCC2)[nH+]cn1 ZINC000528101841 1031720610 /nfs/dbraw/zinc/72/06/10/1031720610.db2.gz NUDVQTRUNTYYTQ-VMZNBEPHSA-N 1 2 334.414 3.624 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)N1c1cc(N2CCCCC2)nc[nH+]1 ZINC000528101841 1031720626 /nfs/dbraw/zinc/72/06/26/1031720626.db2.gz NUDVQTRUNTYYTQ-VMZNBEPHSA-N 1 2 334.414 3.624 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1Cl ZINC000278629284 1031721776 /nfs/dbraw/zinc/72/17/76/1031721776.db2.gz GJCIXTLRYANPTL-SSDOTTSWSA-N 1 2 349.706 3.867 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1Cl ZINC000278629284 1031721796 /nfs/dbraw/zinc/72/17/96/1031721796.db2.gz GJCIXTLRYANPTL-SSDOTTSWSA-N 1 2 349.706 3.867 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccccc2OC(F)F)c(C(F)(F)F)n1 ZINC000178885413 1031738766 /nfs/dbraw/zinc/73/87/66/1031738766.db2.gz FBUBSBBKSPHOEY-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccccc2OC(F)F)c(C(F)(F)F)n1 ZINC000178885413 1031738778 /nfs/dbraw/zinc/73/87/78/1031738778.db2.gz FBUBSBBKSPHOEY-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO O=C(Cc1coc2ccccc12)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000551934337 1031769505 /nfs/dbraw/zinc/76/95/05/1031769505.db2.gz ORSIVLLZIMZFDU-UHFFFAOYSA-N 1 2 349.434 3.677 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000085863327 1031771734 /nfs/dbraw/zinc/77/17/34/1031771734.db2.gz CSVCIGVDBPPTMT-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OC)nc1 ZINC000085863327 1031771749 /nfs/dbraw/zinc/77/17/49/1031771749.db2.gz CSVCIGVDBPPTMT-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO C[C@]1(Br)C[C@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000528127494 1031776446 /nfs/dbraw/zinc/77/64/46/1031776446.db2.gz VHHMSOJKKZFTBJ-WFASDCNBSA-N 1 2 345.200 3.563 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635496031 1031801029 /nfs/dbraw/zinc/80/10/29/1031801029.db2.gz BRBMQSKEJYNHQQ-BFHYXJOUSA-N 1 2 331.382 3.708 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000117759235 1031849252 /nfs/dbraw/zinc/84/92/52/1031849252.db2.gz CGIJYPGBVSWWLH-HXUWFJFHSA-N 1 2 349.409 3.859 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000448889585 1031876176 /nfs/dbraw/zinc/87/61/76/1031876176.db2.gz BGCAGWOWLBLQNN-AWEZNQCLSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000180323583 1031876200 /nfs/dbraw/zinc/87/62/00/1031876200.db2.gz JDZREGOSEVWPCN-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C2(c3c(F)cccc3F)CCC2)n1 ZINC000904263135 1031889908 /nfs/dbraw/zinc/88/99/08/1031889908.db2.gz RWOXGRWSRRQOQO-UHFFFAOYSA-N 1 2 342.349 3.770 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2csc(CCc3ccccc3)n2)cnn1C ZINC000180730956 1031903367 /nfs/dbraw/zinc/90/33/67/1031903367.db2.gz AAEHKDPEGMCYQF-CQSZACIVSA-N 1 2 340.496 3.821 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NC2CCC(C)(O)CC2)c1 ZINC000892373916 1031947450 /nfs/dbraw/zinc/94/74/50/1031947450.db2.gz ZXTUCJRPKCHAJM-UHFFFAOYSA-N 1 2 345.512 3.881 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NC2CCC(C)(O)CC2)c1 ZINC000892373916 1031947464 /nfs/dbraw/zinc/94/74/64/1031947464.db2.gz ZXTUCJRPKCHAJM-UHFFFAOYSA-N 1 2 345.512 3.881 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccnn1C ZINC000278680705 1031967966 /nfs/dbraw/zinc/96/79/66/1031967966.db2.gz JWQCBMCNCMFHDB-CQSZACIVSA-N 1 2 326.469 3.513 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)NC1CCCCC1 ZINC000484801404 1031972554 /nfs/dbraw/zinc/97/25/54/1031972554.db2.gz YZDSIPCWCJHTNY-UHFFFAOYSA-N 1 2 342.405 3.890 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)NC1CCCCC1 ZINC000484801404 1031972561 /nfs/dbraw/zinc/97/25/61/1031972561.db2.gz YZDSIPCWCJHTNY-UHFFFAOYSA-N 1 2 342.405 3.890 20 0 EHADLO Clc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccnc1)OCCO2 ZINC000343700775 1031984544 /nfs/dbraw/zinc/98/45/44/1031984544.db2.gz YMEHVWDNQGHSMY-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccnc1)OCCO2 ZINC000343700775 1031984556 /nfs/dbraw/zinc/98/45/56/1031984556.db2.gz YMEHVWDNQGHSMY-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO CC[N@H+](Cc1nnc(C2CCC2)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000181136289 1031985491 /nfs/dbraw/zinc/98/54/91/1031985491.db2.gz RLHRKNFDCCAHJJ-AWEZNQCLSA-N 1 2 328.460 3.674 20 0 EHADLO CC[N@@H+](Cc1nnc(C2CCC2)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000181136289 1031985505 /nfs/dbraw/zinc/98/55/05/1031985505.db2.gz RLHRKNFDCCAHJJ-AWEZNQCLSA-N 1 2 328.460 3.674 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1 ZINC000181561117 1032005231 /nfs/dbraw/zinc/00/52/31/1032005231.db2.gz UOUMPRXZFSCRSN-LLVKDONJSA-N 1 2 329.787 3.946 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000459401442 1032040574 /nfs/dbraw/zinc/04/05/74/1032040574.db2.gz XSYNABJQYQYTNG-OAHLLOKOSA-N 1 2 349.818 3.531 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000584277984 1032045093 /nfs/dbraw/zinc/04/50/93/1032045093.db2.gz HGNYWDLZKBNTME-HXPMCKFVSA-N 1 2 338.842 3.721 20 0 EHADLO Fc1cnccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000449007936 1032048024 /nfs/dbraw/zinc/04/80/24/1032048024.db2.gz GMHFXDHRLKCAHG-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccnc2ccccc12 ZINC000536657729 1032051729 /nfs/dbraw/zinc/05/17/29/1032051729.db2.gz STRXPFZAOXCTCV-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccnc2ccccc12 ZINC000536657729 1032051742 /nfs/dbraw/zinc/05/17/42/1032051742.db2.gz STRXPFZAOXCTCV-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000181991237 1032051883 /nfs/dbraw/zinc/05/18/83/1032051883.db2.gz IZGUYXHFGOQZIR-QAPCUYQASA-N 1 2 326.444 3.869 20 0 EHADLO c1nc(C2CCCC2)sc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000182044072 1032055216 /nfs/dbraw/zinc/05/52/16/1032055216.db2.gz NNFUOXQQSILRBL-UHFFFAOYSA-N 1 2 342.512 3.514 20 0 EHADLO CCC[N@H+](Cc1c(C)cnn1C)Cc1ccccc1Br ZINC000685410834 1033297230 /nfs/dbraw/zinc/29/72/30/1033297230.db2.gz LVWVREYCYYIUEU-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO CCC[N@@H+](Cc1c(C)cnn1C)Cc1ccccc1Br ZINC000685410834 1033297238 /nfs/dbraw/zinc/29/72/38/1033297238.db2.gz LVWVREYCYYIUEU-UHFFFAOYSA-N 1 2 336.277 3.903 20 0 EHADLO C[C@@H](CC(=O)NCCCCc1ccc(Cl)s1)n1cc[nH+]c1 ZINC000574576740 1033304322 /nfs/dbraw/zinc/30/43/22/1033304322.db2.gz QOZNJPDFFQSCGO-LBPRGKRZSA-N 1 2 325.865 3.688 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c(C)c1OC ZINC000685420586 1033309373 /nfs/dbraw/zinc/30/93/73/1033309373.db2.gz PQWQTXLVEPZTSC-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c(C)c1OC ZINC000685420586 1033309384 /nfs/dbraw/zinc/30/93/84/1033309384.db2.gz PQWQTXLVEPZTSC-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO CC(C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000603047660 1033323795 /nfs/dbraw/zinc/32/37/95/1033323795.db2.gz NAFLNCZWRDVROY-AWEZNQCLSA-N 1 2 342.405 3.642 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000685444774 1033335220 /nfs/dbraw/zinc/33/52/20/1033335220.db2.gz KBWREHFVLCUPOX-SECBINFHSA-N 1 2 343.267 3.785 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000685444774 1033335234 /nfs/dbraw/zinc/33/52/34/1033335234.db2.gz KBWREHFVLCUPOX-SECBINFHSA-N 1 2 343.267 3.785 20 0 EHADLO C[C@H](c1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1)C(F)(F)F ZINC000842036975 1033357568 /nfs/dbraw/zinc/35/75/68/1033357568.db2.gz UOTUOOBEUBMQTE-GFCCVEGCSA-N 1 2 337.345 3.989 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000603097330 1033364614 /nfs/dbraw/zinc/36/46/14/1033364614.db2.gz ZWODLPMQSBRQAG-UHFFFAOYSA-N 1 2 344.484 3.727 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000603097330 1033364630 /nfs/dbraw/zinc/36/46/30/1033364630.db2.gz ZWODLPMQSBRQAG-UHFFFAOYSA-N 1 2 344.484 3.727 20 0 EHADLO C[C@H]1C[C@@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccsc2S1 ZINC000305784947 1033394642 /nfs/dbraw/zinc/39/46/42/1033394642.db2.gz BKHBCKCCZQBMGV-SMDDNHRTSA-N 1 2 335.498 3.609 20 0 EHADLO Cc1cccc2c(CCNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)c[nH]c21 ZINC000635603984 1033440693 /nfs/dbraw/zinc/44/06/93/1033440693.db2.gz SAGNZPVVPOPHPA-GOSISDBHSA-N 1 2 338.455 3.619 20 0 EHADLO C[C@H](CC1CCCC1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616930 1033465583 /nfs/dbraw/zinc/46/55/83/1033465583.db2.gz XXNKAQSTNNBVIZ-CRAIPNDOSA-N 1 2 332.488 3.893 20 0 EHADLO C[C@@H](Cc1cccs1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616454 1033466212 /nfs/dbraw/zinc/46/62/12/1033466212.db2.gz UQOSQHRQKBXAEE-YOEHRIQHSA-N 1 2 346.496 3.617 20 0 EHADLO COCCn1cc(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)cn1 ZINC000608056952 1033473361 /nfs/dbraw/zinc/47/33/61/1033473361.db2.gz NBJFPVAFRHCHSC-UHFFFAOYSA-N 1 2 348.661 3.780 20 0 EHADLO C[C@H](CCC(F)(F)F)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594614712 1033479714 /nfs/dbraw/zinc/47/97/14/1033479714.db2.gz JKCBFTMAPCXROC-TZMCWYRMSA-N 1 2 346.393 3.655 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000460341161 1033513266 /nfs/dbraw/zinc/51/32/66/1033513266.db2.gz XPZAWRCBQSZNJX-QWRGUYRKSA-N 1 2 329.762 3.869 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000608260748 1033553002 /nfs/dbraw/zinc/55/30/02/1033553002.db2.gz QIBDAMTXYSUTSX-QGZVFWFLSA-N 1 2 338.386 3.665 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000685565273 1033570598 /nfs/dbraw/zinc/57/05/98/1033570598.db2.gz VTLUHGAOLRXPHX-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Clc1ccc2c(ccn2CC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000685564906 1033570802 /nfs/dbraw/zinc/57/08/02/1033570802.db2.gz UHMCJJBGYYSSCR-QGZVFWFLSA-N 1 2 330.815 3.961 20 0 EHADLO Clc1ccc2c(ccn2CC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000685564906 1033570808 /nfs/dbraw/zinc/57/08/08/1033570808.db2.gz UHMCJJBGYYSSCR-QGZVFWFLSA-N 1 2 330.815 3.961 20 0 EHADLO O=C(CCCCCc1cccs1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000598915093 1033571413 /nfs/dbraw/zinc/57/14/13/1033571413.db2.gz XNZRIQSUTZLAIH-UHFFFAOYSA-N 1 2 330.453 3.536 20 0 EHADLO Cc1ccc2cc(CNc3cc(CSCCO)cc[nH+]3)[nH]c2c1 ZINC000594938050 1033585979 /nfs/dbraw/zinc/58/59/79/1033585979.db2.gz PWGSXZVYGKZGLK-UHFFFAOYSA-N 1 2 327.453 3.709 20 0 EHADLO Cc1nc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)[nH]c1C ZINC000594947420 1033591173 /nfs/dbraw/zinc/59/11/73/1033591173.db2.gz DCAVKZWHAVDUOU-IRXDYDNUSA-N 1 2 341.455 3.686 20 0 EHADLO Cc1[nH]c(CN[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000594947420 1033591179 /nfs/dbraw/zinc/59/11/79/1033591179.db2.gz DCAVKZWHAVDUOU-IRXDYDNUSA-N 1 2 341.455 3.686 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc2c1CCCC2 ZINC000685588740 1033594758 /nfs/dbraw/zinc/59/47/58/1033594758.db2.gz UBBAGPCZOUUHGA-UHFFFAOYSA-N 1 2 345.446 3.991 20 0 EHADLO CCCOc1ccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)c(C)c1 ZINC000594953903 1033596483 /nfs/dbraw/zinc/59/64/83/1033596483.db2.gz JLMMAMHJDOMXIG-UHFFFAOYSA-N 1 2 346.427 3.583 20 0 EHADLO CC(C)n1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)n1 ZINC000598963995 1033598617 /nfs/dbraw/zinc/59/86/17/1033598617.db2.gz FDUBMSNIKQUHCF-UHFFFAOYSA-N 1 2 335.473 3.771 20 0 EHADLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000608334340 1033607377 /nfs/dbraw/zinc/60/73/77/1033607377.db2.gz ZGOWAVKZJPTSOG-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c2nccn21 ZINC000598978360 1033626448 /nfs/dbraw/zinc/62/64/48/1033626448.db2.gz NCWKISPFIAUNDE-AAEUAGOBSA-N 1 2 333.457 3.696 20 0 EHADLO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]Cc1n[nH]c2ccccc21 ZINC000685630165 1033643709 /nfs/dbraw/zinc/64/37/09/1033643709.db2.gz RFKHJSJOVSSLOF-HXUWFJFHSA-N 1 2 333.435 3.747 20 0 EHADLO CSCc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000574955878 1033741401 /nfs/dbraw/zinc/74/14/01/1033741401.db2.gz MZKGLFHRJXTMBG-JKSUJKDBSA-N 1 2 345.468 3.525 20 0 EHADLO CSCc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000574955878 1033741416 /nfs/dbraw/zinc/74/14/16/1033741416.db2.gz MZKGLFHRJXTMBG-JKSUJKDBSA-N 1 2 345.468 3.525 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(Cl)c1 ZINC000575043292 1033765398 /nfs/dbraw/zinc/76/53/98/1033765398.db2.gz SPTXEOGQOATNCA-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(Cl)c1 ZINC000575043292 1033765413 /nfs/dbraw/zinc/76/54/13/1033765413.db2.gz SPTXEOGQOATNCA-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc2cnccc2o1 ZINC000657979768 1033793992 /nfs/dbraw/zinc/79/39/92/1033793992.db2.gz KSNLXOHOEWAYGH-GFCCVEGCSA-N 1 2 329.400 3.982 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)c(C)c[nH+]1 ZINC000646329748 1033796061 /nfs/dbraw/zinc/79/60/61/1033796061.db2.gz YWKWJVYFENTMNY-FQEVSTJZSA-N 1 2 341.430 3.889 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599201965 1033818584 /nfs/dbraw/zinc/81/85/84/1033818584.db2.gz IMMGQVVLPUCMQA-MRXNPFEDSA-N 1 2 330.815 3.940 20 0 EHADLO O=C(C1=C(c2ccccc2)CCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450155799 1033821817 /nfs/dbraw/zinc/82/18/17/1033821817.db2.gz BCMHTPJJYUHVQB-SFHVURJKSA-N 1 2 334.419 3.699 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000120481944 1033848979 /nfs/dbraw/zinc/84/89/79/1033848979.db2.gz ZUVMGRHWLCPECI-CQSZACIVSA-N 1 2 347.434 3.761 20 0 EHADLO Fc1ccc(-c2n[nH]c(CNc3cc[nH+]c4cc(F)ccc34)n2)cc1 ZINC000608753079 1033863763 /nfs/dbraw/zinc/86/37/63/1033863763.db2.gz LSNCOZMXJAKOEK-UHFFFAOYSA-N 1 2 337.333 3.910 20 0 EHADLO Fc1ccc(-c2nc(CNc3cc[nH+]c4cc(F)ccc34)n[nH]2)cc1 ZINC000608753079 1033863774 /nfs/dbraw/zinc/86/37/74/1033863774.db2.gz LSNCOZMXJAKOEK-UHFFFAOYSA-N 1 2 337.333 3.910 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000608728004 1033867324 /nfs/dbraw/zinc/86/73/24/1033867324.db2.gz ZGLYHRNLFTZUBD-JFIYKMOQSA-N 1 2 340.471 3.534 20 0 EHADLO CC(C)(CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000476463513 1033884867 /nfs/dbraw/zinc/88/48/67/1033884867.db2.gz WABZFSRJICQWLW-QGZVFWFLSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000046944203 1033892607 /nfs/dbraw/zinc/89/26/07/1033892607.db2.gz OIRANFMGWJSXMR-MRXNPFEDSA-N 1 2 326.444 3.595 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000450212702 1033906326 /nfs/dbraw/zinc/90/63/26/1033906326.db2.gz FFSHPGSVOYOJRV-MRXNPFEDSA-N 1 2 335.494 3.879 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000450212702 1033906337 /nfs/dbraw/zinc/90/63/37/1033906337.db2.gz FFSHPGSVOYOJRV-MRXNPFEDSA-N 1 2 335.494 3.879 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000537603002 1033916506 /nfs/dbraw/zinc/91/65/06/1033916506.db2.gz XTLVRMIVMIREMA-UHFFFAOYSA-N 1 2 334.423 3.628 20 0 EHADLO CC(C)C(NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000669767083 1033922707 /nfs/dbraw/zinc/92/27/07/1033922707.db2.gz GWGYBZNDFNLTCL-MRXNPFEDSA-N 1 2 346.519 3.789 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120558151 1033926716 /nfs/dbraw/zinc/92/67/16/1033926716.db2.gz YHOKTKGKUNSNBA-GUYCJALGSA-N 1 2 327.453 3.666 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120558151 1033926739 /nfs/dbraw/zinc/92/67/39/1033926739.db2.gz YHOKTKGKUNSNBA-GUYCJALGSA-N 1 2 327.453 3.666 20 0 EHADLO C[C@@](CO)([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000599442032 1033928249 /nfs/dbraw/zinc/92/82/49/1033928249.db2.gz OFCISTXJODHHKM-IBGZPJMESA-N 1 2 342.826 3.992 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000055152490 1033928950 /nfs/dbraw/zinc/92/89/50/1033928950.db2.gz MKVROLLUEVCIML-ORAYPTAESA-N 1 2 342.414 3.505 20 0 EHADLO Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4[nH+]ccn4c3)o2)cc1 ZINC000603785926 1033934426 /nfs/dbraw/zinc/93/44/26/1033934426.db2.gz NUJWGKBLLCIGFN-UHFFFAOYSA-N 1 2 346.390 3.869 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000055273699 1033942952 /nfs/dbraw/zinc/94/29/52/1033942952.db2.gz JHBILHRCQLKHLB-AWEZNQCLSA-N 1 2 341.386 3.981 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000055273699 1033942965 /nfs/dbraw/zinc/94/29/65/1033942965.db2.gz JHBILHRCQLKHLB-AWEZNQCLSA-N 1 2 341.386 3.981 20 0 EHADLO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000595718347 1033960982 /nfs/dbraw/zinc/96/09/82/1033960982.db2.gz SRQLJEDRIZPTQS-UHFFFAOYSA-N 1 2 343.418 3.612 20 0 EHADLO O=C(CC1CC(F)(F)C1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000450253179 1033972034 /nfs/dbraw/zinc/97/20/34/1033972034.db2.gz CFYCWFOPTXAUDX-UHFFFAOYSA-N 1 2 343.377 3.976 20 0 EHADLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000608991549 1033980920 /nfs/dbraw/zinc/98/09/20/1033980920.db2.gz XZNCWMDADOEFQJ-IBGZPJMESA-N 1 2 345.483 3.930 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885088 1034010169 /nfs/dbraw/zinc/01/01/69/1034010169.db2.gz PUUSANFIRXLOAR-DJIMGWMZSA-N 1 2 329.444 3.750 20 0 EHADLO Cc1cn2cc(NC(=O)N3Cc4ccccc4C(C)(C)C3)ccc2[nH+]1 ZINC000534039452 1034048435 /nfs/dbraw/zinc/04/84/35/1034048435.db2.gz PPLAAAMOIZGPEL-UHFFFAOYSA-N 1 2 334.423 3.968 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000596055172 1034057398 /nfs/dbraw/zinc/05/73/98/1034057398.db2.gz OIZKILSNSZNIKP-NSHDSACASA-N 1 2 349.228 3.733 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000129933089 1034068083 /nfs/dbraw/zinc/06/80/83/1034068083.db2.gz RJQAISQPHGLTOL-SFHVURJKSA-N 1 2 347.462 3.943 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccc(OC)c2F)cc1OCC ZINC000658228457 1034089156 /nfs/dbraw/zinc/08/91/56/1034089156.db2.gz SBQNCKCOEWCYPO-CYBMUJFWSA-N 1 2 348.418 3.878 20 0 EHADLO Brc1cccc2c(N[C@@H]3CCO[C@H]3C3CC3)cc[nH+]c12 ZINC000534062586 1034089555 /nfs/dbraw/zinc/08/95/55/1034089555.db2.gz KPAWKIJSOCGLLR-ZBFHGGJFSA-N 1 2 333.229 3.977 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nccc(OC)c2F)cc1OCC ZINC000658228458 1034090835 /nfs/dbraw/zinc/09/08/35/1034090835.db2.gz SBQNCKCOEWCYPO-ZDUSSCGKSA-N 1 2 348.418 3.878 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000119165187 1034090733 /nfs/dbraw/zinc/09/07/33/1034090733.db2.gz VDVRCKQDDGQBPM-INIZCTEOSA-N 1 2 326.440 3.554 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000119165187 1034090744 /nfs/dbraw/zinc/09/07/44/1034090744.db2.gz VDVRCKQDDGQBPM-INIZCTEOSA-N 1 2 326.440 3.554 20 0 EHADLO CCC[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120781411 1034104926 /nfs/dbraw/zinc/10/49/26/1034104926.db2.gz RBWMWWDSOKUVDY-MJGOQNOKSA-N 1 2 339.483 3.785 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599679296 1034106442 /nfs/dbraw/zinc/10/64/42/1034106442.db2.gz MPPLEQPZLHARRC-GUYCJALGSA-N 1 2 349.427 3.599 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599679296 1034106449 /nfs/dbraw/zinc/10/64/49/1034106449.db2.gz MPPLEQPZLHARRC-GUYCJALGSA-N 1 2 349.427 3.599 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529527785 1034107666 /nfs/dbraw/zinc/10/76/66/1034107666.db2.gz DVSLUQOKFJEQEW-LBPRGKRZSA-N 1 2 344.833 3.747 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529527785 1034107675 /nfs/dbraw/zinc/10/76/75/1034107675.db2.gz DVSLUQOKFJEQEW-LBPRGKRZSA-N 1 2 344.833 3.747 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000596164334 1034113583 /nfs/dbraw/zinc/11/35/83/1034113583.db2.gz FMPSGDNEWBRHLF-HNNXBMFYSA-N 1 2 344.386 3.651 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccn1 ZINC000534094228 1034122565 /nfs/dbraw/zinc/12/25/65/1034122565.db2.gz NDRMWMUTLVGIQF-OAQYLSRUSA-N 1 2 344.418 3.846 20 0 EHADLO CCOC(=O)c1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000596230729 1034128360 /nfs/dbraw/zinc/12/83/60/1034128360.db2.gz DYAYCGVGFLSFBH-JOCQHMNTSA-N 1 2 346.456 3.550 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccc(C)o3)n2)[C@@H](C)C1 ZINC000599705835 1034131139 /nfs/dbraw/zinc/13/11/39/1034131139.db2.gz IKQSEKGMMQXVGL-DABQJJPHSA-N 1 2 348.468 3.874 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccc(C)o3)n2)[C@@H](C)C1 ZINC000599705835 1034131149 /nfs/dbraw/zinc/13/11/49/1034131149.db2.gz IKQSEKGMMQXVGL-DABQJJPHSA-N 1 2 348.468 3.874 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3cccs3)on2)[C@@H](C)C1 ZINC000599706565 1034131197 /nfs/dbraw/zinc/13/11/97/1034131197.db2.gz MAKPISHSCBQBNE-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-c3cccs3)on2)[C@@H](C)C1 ZINC000599706565 1034131205 /nfs/dbraw/zinc/13/12/05/1034131205.db2.gz MAKPISHSCBQBNE-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000537614905 1034142222 /nfs/dbraw/zinc/14/22/22/1034142222.db2.gz KMRCQNAVCDCBSV-AUUYWEPGSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000537614905 1034142236 /nfs/dbraw/zinc/14/22/36/1034142236.db2.gz KMRCQNAVCDCBSV-AUUYWEPGSA-N 1 2 339.414 3.744 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)CC(C)(C)C ZINC000604034870 1034162937 /nfs/dbraw/zinc/16/29/37/1034162937.db2.gz KHTNPFLGLDHLLZ-IRXDYDNUSA-N 1 2 331.504 3.749 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000119751570 1034237150 /nfs/dbraw/zinc/23/71/50/1034237150.db2.gz OKNGMFPYEPSAHT-QZTJIDSGSA-N 1 2 329.488 3.797 20 0 EHADLO Cc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000101821489 1034258559 /nfs/dbraw/zinc/25/85/59/1034258559.db2.gz YZDXUWODMARZHK-UHFFFAOYSA-N 1 2 332.816 3.851 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000537624064 1034261891 /nfs/dbraw/zinc/26/18/91/1034261891.db2.gz QSHIOHLSKKKJRR-NSHDSACASA-N 1 2 327.325 3.704 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000537624064 1034261902 /nfs/dbraw/zinc/26/19/02/1034261902.db2.gz QSHIOHLSKKKJRR-NSHDSACASA-N 1 2 327.325 3.704 20 0 EHADLO C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)[N@H+]1C ZINC000647394442 1034290422 /nfs/dbraw/zinc/29/04/22/1034290422.db2.gz JWEFJEPRVLYSHK-AOOOYVTPSA-N 1 2 340.851 3.858 20 0 EHADLO C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)[N@@H+]1C ZINC000647394442 1034290434 /nfs/dbraw/zinc/29/04/34/1034290434.db2.gz JWEFJEPRVLYSHK-AOOOYVTPSA-N 1 2 340.851 3.858 20 0 EHADLO CCc1nn(C)cc1CNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450417551 1034304972 /nfs/dbraw/zinc/30/49/72/1034304972.db2.gz JUCYXOYTKUGDJU-UHFFFAOYSA-N 1 2 334.345 3.584 20 0 EHADLO CC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 ZINC000450437419 1034328967 /nfs/dbraw/zinc/32/89/67/1034328967.db2.gz KMKHQTRFCQYCPJ-VLIAUNLRSA-N 1 2 327.399 3.990 20 0 EHADLO CC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 ZINC000450437419 1034328983 /nfs/dbraw/zinc/32/89/83/1034328983.db2.gz KMKHQTRFCQYCPJ-VLIAUNLRSA-N 1 2 327.399 3.990 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c(C)c[nH+]1 ZINC000534299745 1034359292 /nfs/dbraw/zinc/35/92/92/1034359292.db2.gz JEEVVEHROJIISH-UHFFFAOYSA-N 1 2 345.374 3.774 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)c1ccccc1 ZINC000604389792 1034359990 /nfs/dbraw/zinc/35/99/90/1034359990.db2.gz UPAVDPQAIGPEOM-KRWDZBQOSA-N 1 2 332.488 3.533 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C)c1ccccc1 ZINC000604389792 1034360000 /nfs/dbraw/zinc/36/00/00/1034360000.db2.gz UPAVDPQAIGPEOM-KRWDZBQOSA-N 1 2 332.488 3.533 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000450464992 1034379119 /nfs/dbraw/zinc/37/91/19/1034379119.db2.gz CRPFVHAITIJBIM-MRXNPFEDSA-N 1 2 328.485 3.516 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000450464992 1034379132 /nfs/dbraw/zinc/37/91/32/1034379132.db2.gz CRPFVHAITIJBIM-MRXNPFEDSA-N 1 2 328.485 3.516 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604184 1034403444 /nfs/dbraw/zinc/40/34/44/1034403444.db2.gz GXQSJZPSFXNZDB-UHFFFAOYSA-N 1 2 343.477 3.603 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604184 1034403455 /nfs/dbraw/zinc/40/34/55/1034403455.db2.gz GXQSJZPSFXNZDB-UHFFFAOYSA-N 1 2 343.477 3.603 20 0 EHADLO Cc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ncc1Br ZINC000628241394 1034423920 /nfs/dbraw/zinc/42/39/20/1034423920.db2.gz UGNSYHPXCUQLOR-UHFFFAOYSA-N 1 2 339.277 3.545 20 0 EHADLO Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ncc1Br ZINC000628241394 1034423927 /nfs/dbraw/zinc/42/39/27/1034423927.db2.gz UGNSYHPXCUQLOR-UHFFFAOYSA-N 1 2 339.277 3.545 20 0 EHADLO CC(C)(C)[C@H](O)C[C@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450511259 1034446782 /nfs/dbraw/zinc/44/67/82/1034446782.db2.gz AVDYHALGBNBTOZ-QLJPJBMISA-N 1 2 340.826 3.597 20 0 EHADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601318264 1034450050 /nfs/dbraw/zinc/45/00/50/1034450050.db2.gz LVSKKZOICYIUTJ-CXAGYDPISA-N 1 2 349.377 3.739 20 0 EHADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(OC2CC2)c1F ZINC000597013632 1034491599 /nfs/dbraw/zinc/49/15/99/1034491599.db2.gz JDXCWDJIWUBMOO-DEOSSOPVSA-N 1 2 347.455 3.736 20 0 EHADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(OC2CC2)c1F ZINC000597013632 1034491607 /nfs/dbraw/zinc/49/16/07/1034491607.db2.gz JDXCWDJIWUBMOO-DEOSSOPVSA-N 1 2 347.455 3.736 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000604811183 1034512838 /nfs/dbraw/zinc/51/28/38/1034512838.db2.gz CRKYLOXEFDJVGA-INIZCTEOSA-N 1 2 332.492 3.741 20 0 EHADLO CCCCCCNC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000061800828 1034531837 /nfs/dbraw/zinc/53/18/37/1034531837.db2.gz NOHRPHDJWITDGG-UHFFFAOYSA-N 1 2 347.322 3.639 20 0 EHADLO CCCCCCNC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800828 1034531846 /nfs/dbraw/zinc/53/18/46/1034531846.db2.gz NOHRPHDJWITDGG-UHFFFAOYSA-N 1 2 347.322 3.639 20 0 EHADLO CCCC[C@H](CC)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534520794 1034625898 /nfs/dbraw/zinc/62/58/98/1034625898.db2.gz QPMOEFJVRDHQHE-INIZCTEOSA-N 1 2 337.533 3.792 20 0 EHADLO Clc1ccc(N2CCC[N@H+](Cc3cnns3)CC2)cc1Cl ZINC000450646366 1034633968 /nfs/dbraw/zinc/63/39/68/1034633968.db2.gz VOSAWCHAZAIHRZ-UHFFFAOYSA-N 1 2 343.283 3.557 20 0 EHADLO Clc1ccc(N2CCC[N@@H+](Cc3cnns3)CC2)cc1Cl ZINC000450646366 1034633983 /nfs/dbraw/zinc/63/39/83/1034633983.db2.gz VOSAWCHAZAIHRZ-UHFFFAOYSA-N 1 2 343.283 3.557 20 0 EHADLO CCOC(=O)N(C)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000761218271 1034671285 /nfs/dbraw/zinc/67/12/85/1034671285.db2.gz BZFFYNVMCSSHAH-UHFFFAOYSA-N 1 2 348.491 3.781 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669607642 1034711080 /nfs/dbraw/zinc/71/10/80/1034711080.db2.gz DCVKNRHJEQILSO-LSDHHAIUSA-N 1 2 344.484 3.713 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC2(CCCC2)O1 ZINC000548912971 1034714096 /nfs/dbraw/zinc/71/40/96/1034714096.db2.gz SOGIEQGQLZRXJQ-HNNXBMFYSA-N 1 2 341.455 3.649 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC2(CCCC2)O1 ZINC000548912971 1034714112 /nfs/dbraw/zinc/71/41/12/1034714112.db2.gz SOGIEQGQLZRXJQ-HNNXBMFYSA-N 1 2 341.455 3.649 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000450714384 1034726332 /nfs/dbraw/zinc/72/63/32/1034726332.db2.gz LFSMVMGRBXNKSG-WBMJQRKESA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000450714384 1034726346 /nfs/dbraw/zinc/72/63/46/1034726346.db2.gz LFSMVMGRBXNKSG-WBMJQRKESA-N 1 2 346.452 3.521 20 0 EHADLO CCn1ncc(C(=O)NCc2c[nH+]c(C)cc2C)c1-c1ccccc1 ZINC000456834813 1034777858 /nfs/dbraw/zinc/77/78/58/1034777858.db2.gz IJJXGOGLIRUGDP-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278790919 1034780576 /nfs/dbraw/zinc/78/05/76/1034780576.db2.gz DYVFZDQLSQFLKB-UHFFFAOYSA-N 1 2 331.410 3.877 20 0 EHADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)c(Br)s1 ZINC000456855089 1034812253 /nfs/dbraw/zinc/81/22/53/1034812253.db2.gz ZGEGBKGTZWYJKJ-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000456857259 1034812976 /nfs/dbraw/zinc/81/29/76/1034812976.db2.gz KDEMFSAOGQSISY-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000612349038 1034823617 /nfs/dbraw/zinc/82/36/17/1034823617.db2.gz BAGZJPHAWUYOGD-PLMTUMEDSA-N 1 2 337.467 3.661 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(Cc2ccccc2)CCC1 ZINC000177252100 1034890799 /nfs/dbraw/zinc/89/07/99/1034890799.db2.gz HLCQCIISWNCKSZ-UHFFFAOYSA-N 1 2 345.446 3.902 20 0 EHADLO COc1cccc2c1CN(C[NH+]1CCC(c3ccsc3)CC1)C2=O ZINC000530093322 1034938479 /nfs/dbraw/zinc/93/84/79/1034938479.db2.gz FIDUIBGMFYISPN-UHFFFAOYSA-N 1 2 342.464 3.550 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000612442439 1034938936 /nfs/dbraw/zinc/93/89/36/1034938936.db2.gz WUOCRVDQRFXUIQ-MOPGFXCFSA-N 1 2 333.435 3.610 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000375930979 1034945715 /nfs/dbraw/zinc/94/57/15/1034945715.db2.gz JMPMFNKCKOXKEA-CQSZACIVSA-N 1 2 343.858 3.511 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000375933527 1034957598 /nfs/dbraw/zinc/95/75/98/1034957598.db2.gz PDPJSKQTIKWPFA-AWEZNQCLSA-N 1 2 343.858 3.511 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@H]1c1ccsc1)C2=O ZINC000530097767 1034958688 /nfs/dbraw/zinc/95/86/88/1034958688.db2.gz XTMWQMSDRZBPSV-INIZCTEOSA-N 1 2 328.437 3.507 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@H]1c1ccsc1)C2=O ZINC000530097767 1034958691 /nfs/dbraw/zinc/95/86/91/1034958691.db2.gz XTMWQMSDRZBPSV-INIZCTEOSA-N 1 2 328.437 3.507 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000413771569 1034993500 /nfs/dbraw/zinc/99/35/00/1034993500.db2.gz AAKUUVHEAQHTOI-IEBWSBKVSA-N 1 2 329.488 3.551 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000570036163 1034998425 /nfs/dbraw/zinc/99/84/25/1034998425.db2.gz KGHUADMKAFSANH-UONOGXRCSA-N 1 2 344.459 3.720 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)CCCOc2cccc(C(F)(F)F)c2)n1 ZINC000570055489 1035015194 /nfs/dbraw/zinc/01/51/94/1035015194.db2.gz WOEPQHABWDOGRX-NSHDSACASA-N 1 2 343.349 3.859 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)n1 ZINC000570055489 1035015202 /nfs/dbraw/zinc/01/52/02/1035015202.db2.gz WOEPQHABWDOGRX-NSHDSACASA-N 1 2 343.349 3.859 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CCCC34CC4)n2)c1 ZINC000530158542 1035027053 /nfs/dbraw/zinc/02/70/53/1035027053.db2.gz SVBMWZSCJVTQPJ-KRWDZBQOSA-N 1 2 339.439 3.617 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)c(C)c1OC ZINC000451027311 1035046235 /nfs/dbraw/zinc/04/62/35/1035046235.db2.gz GXZMXHYOKPVHLX-NSHDSACASA-N 1 2 333.457 3.592 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1(C)C ZINC000612552973 1035055594 /nfs/dbraw/zinc/05/55/94/1035055594.db2.gz POWYDLGIGQWGJR-PKOBYXMFSA-N 1 2 341.499 3.927 20 0 EHADLO Cc1cccc(C)c1NC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000066006642 1035097011 /nfs/dbraw/zinc/09/70/11/1035097011.db2.gz JJEWZXUNTYCXMR-OAHLLOKOSA-N 1 2 330.501 3.901 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CC2(C1)CCCCC2 ZINC000612665137 1035145879 /nfs/dbraw/zinc/14/58/79/1035145879.db2.gz BRERGIAUCQPJQH-UHFFFAOYSA-N 1 2 343.471 3.526 20 0 EHADLO C[NH+](C)c1ccc(NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000177551024 1035218172 /nfs/dbraw/zinc/21/81/72/1035218172.db2.gz UBCXZWDLYOQONW-UHFFFAOYSA-N 1 2 333.476 3.812 20 0 EHADLO CN(C)c1ccc([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000177551024 1035218177 /nfs/dbraw/zinc/21/81/77/1035218177.db2.gz UBCXZWDLYOQONW-UHFFFAOYSA-N 1 2 333.476 3.812 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCCC12CCCCC2 ZINC000685806408 1035229052 /nfs/dbraw/zinc/22/90/52/1035229052.db2.gz FNAZOWHIAXPQCH-UHFFFAOYSA-N 1 2 337.467 3.799 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612992903 1035340706 /nfs/dbraw/zinc/34/07/06/1035340706.db2.gz APXAOTODKPETOJ-CVEARBPZSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612992903 1035340713 /nfs/dbraw/zinc/34/07/13/1035340713.db2.gz APXAOTODKPETOJ-CVEARBPZSA-N 1 2 336.838 3.531 20 0 EHADLO Oc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc(C(F)(F)F)c1 ZINC000685837968 1035377129 /nfs/dbraw/zinc/37/71/29/1035377129.db2.gz POHALNIBJWXJND-UHFFFAOYSA-N 1 2 347.340 3.887 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cn1 ZINC000185635705 1035504386 /nfs/dbraw/zinc/50/43/86/1035504386.db2.gz PBFDWBBWXIXMEC-OAHLLOKOSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cn1 ZINC000185635705 1035504392 /nfs/dbraw/zinc/50/43/92/1035504392.db2.gz PBFDWBBWXIXMEC-OAHLLOKOSA-N 1 2 338.224 3.659 20 0 EHADLO FC(F)(F)C1C[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000571493405 1035508561 /nfs/dbraw/zinc/50/85/61/1035508561.db2.gz NFUMDDIAQCETHR-UHFFFAOYSA-N 1 2 331.341 3.995 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173112120 1035520451 /nfs/dbraw/zinc/52/04/51/1035520451.db2.gz QIFOFLSLDQEDKU-HZPDHXFCSA-N 1 2 344.459 3.908 20 0 EHADLO Fc1cc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc(F)c1F ZINC000571528631 1035544814 /nfs/dbraw/zinc/54/48/14/1035544814.db2.gz ZSVOZCWAPZLHIF-MRXNPFEDSA-N 1 2 338.377 3.676 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000571535006 1035548722 /nfs/dbraw/zinc/54/87/22/1035548722.db2.gz JBQWLTHKEWCVQC-VQIMIIECSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000571535006 1035548735 /nfs/dbraw/zinc/54/87/35/1035548735.db2.gz JBQWLTHKEWCVQC-VQIMIIECSA-N 1 2 325.456 3.602 20 0 EHADLO Cc1csc(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)n1 ZINC000571565964 1035559000 /nfs/dbraw/zinc/55/90/00/1035559000.db2.gz LVUCYTVIGHFJLD-NSCUHMNNSA-N 1 2 335.423 3.565 20 0 EHADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000456971599 1035587205 /nfs/dbraw/zinc/58/72/05/1035587205.db2.gz YPFRIQZXWMHBRN-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000186221757 1035606367 /nfs/dbraw/zinc/60/63/67/1035606367.db2.gz LRUCIJGJIARQQO-QWHCGFSZSA-N 1 2 328.441 3.749 20 0 EHADLO C[N@H+](Cc1ccco1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186245888 1035609645 /nfs/dbraw/zinc/60/96/45/1035609645.db2.gz FQFDUUJBNSZFCF-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccco1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186245888 1035609662 /nfs/dbraw/zinc/60/96/62/1035609662.db2.gz FQFDUUJBNSZFCF-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(F)ccc2SC)s1 ZINC000414119401 1035610860 /nfs/dbraw/zinc/61/08/60/1035610860.db2.gz WIKQCSLSQWXJBB-SECBINFHSA-N 1 2 340.445 3.642 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173767514 1035618512 /nfs/dbraw/zinc/61/85/12/1035618512.db2.gz VBPTXHPVCDVPDN-JTQLQIEISA-N 1 2 334.769 3.941 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000666162619 1035675078 /nfs/dbraw/zinc/67/50/78/1035675078.db2.gz CAKWILHTASNQBB-PBHICJAKSA-N 1 2 344.434 3.835 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000534870788 1035701588 /nfs/dbraw/zinc/70/15/88/1035701588.db2.gz GZWRCUFHHSXUFY-OAHLLOKOSA-N 1 2 336.439 3.684 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000534870788 1035701614 /nfs/dbraw/zinc/70/16/14/1035701614.db2.gz GZWRCUFHHSXUFY-OAHLLOKOSA-N 1 2 336.439 3.684 20 0 EHADLO COCCNc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000534880112 1035738923 /nfs/dbraw/zinc/73/89/23/1035738923.db2.gz OKIFWSRYXINAOG-UHFFFAOYSA-N 1 2 342.487 3.816 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000613406510 1035765143 /nfs/dbraw/zinc/76/51/43/1035765143.db2.gz IQVCLFFEIZSRNC-VXGBXAGGSA-N 1 2 349.381 3.618 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000187359543 1035797204 /nfs/dbraw/zinc/79/72/04/1035797204.db2.gz JEHKJYVHLZKWOO-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CCC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C[C@@H]1CCCCO1 ZINC000174138855 1035807276 /nfs/dbraw/zinc/80/72/76/1035807276.db2.gz RZSROEBUBGMIPF-CVEARBPZSA-N 1 2 339.480 3.584 20 0 EHADLO CCC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C[C@@H]1CCCCO1 ZINC000174138855 1035807286 /nfs/dbraw/zinc/80/72/86/1035807286.db2.gz RZSROEBUBGMIPF-CVEARBPZSA-N 1 2 339.480 3.584 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1nc2c(s1)CCC2 ZINC000414158236 1035809139 /nfs/dbraw/zinc/80/91/39/1035809139.db2.gz UEOIFGCSIWWOPH-VXGBXAGGSA-N 1 2 326.469 3.930 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000534966772 1035836215 /nfs/dbraw/zinc/83/62/15/1035836215.db2.gz KATIILVFIDARSB-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000534966772 1035836234 /nfs/dbraw/zinc/83/62/34/1035836234.db2.gz KATIILVFIDARSB-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)c2ccc(F)cc2)cn1 ZINC000187518815 1035836432 /nfs/dbraw/zinc/83/64/32/1035836432.db2.gz YMLGEZIIUHOODY-SFHVURJKSA-N 1 2 349.331 3.856 20 0 EHADLO COc1cccc2c(N[C@H]3CCc4cnn(C(C)C)c4C3)cc[nH+]c12 ZINC000571944158 1035845698 /nfs/dbraw/zinc/84/56/98/1035845698.db2.gz AOPSBFFRGPKGNS-HNNXBMFYSA-N 1 2 336.439 3.990 20 0 EHADLO c1cncc(-c2cccc(CNc3ccc(N4CCCC4)c[nH+]3)c2)c1 ZINC000571946754 1035848552 /nfs/dbraw/zinc/84/85/52/1035848552.db2.gz AIJKDBPMRVPPIN-UHFFFAOYSA-N 1 2 330.435 3.778 20 0 EHADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000571970317 1035853256 /nfs/dbraw/zinc/85/32/56/1035853256.db2.gz JNBUDVGHZXFGBK-OAHLLOKOSA-N 1 2 337.345 3.656 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)c1cn(C)cn1 ZINC000926747334 1035894938 /nfs/dbraw/zinc/89/49/38/1035894938.db2.gz WNOXIWPQNDJTJK-RKDXNWHRSA-N 1 2 344.203 3.873 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(OC[C@H]2CCCO2)c1 ZINC000535064293 1035947982 /nfs/dbraw/zinc/94/79/82/1035947982.db2.gz JOFSMAXMLINWGA-GDBMZVCRSA-N 1 2 332.469 3.860 20 0 EHADLO Cc1nn2c(C[N@H+](C)Cc3cccc(O)c3)c(C(C)C)nc2s1 ZINC000535065079 1035950141 /nfs/dbraw/zinc/95/01/41/1035950141.db2.gz RADHOMSNADADHK-UHFFFAOYSA-N 1 2 330.457 3.560 20 0 EHADLO Cc1nn2c(C[N@@H+](C)Cc3cccc(O)c3)c(C(C)C)nc2s1 ZINC000535065079 1035950149 /nfs/dbraw/zinc/95/01/49/1035950149.db2.gz RADHOMSNADADHK-UHFFFAOYSA-N 1 2 330.457 3.560 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C2CCC2)cc1 ZINC000188726563 1035960113 /nfs/dbraw/zinc/96/01/13/1035960113.db2.gz KZUYHHREDTWWQF-UHFFFAOYSA-N 1 2 335.451 3.748 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000613464263 1035962312 /nfs/dbraw/zinc/96/23/12/1035962312.db2.gz MUMSUAKENUBKBJ-AWEZNQCLSA-N 1 2 348.849 3.831 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000613464263 1035962336 /nfs/dbraw/zinc/96/23/36/1035962336.db2.gz MUMSUAKENUBKBJ-AWEZNQCLSA-N 1 2 348.849 3.831 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000613465270 1035968863 /nfs/dbraw/zinc/96/88/63/1035968863.db2.gz XJOOCPJDYNUYRP-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000613465270 1035968874 /nfs/dbraw/zinc/96/88/74/1035968874.db2.gz XJOOCPJDYNUYRP-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492557081 1035978536 /nfs/dbraw/zinc/97/85/36/1035978536.db2.gz GZYXOQPOKGGUSR-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492557081 1035978548 /nfs/dbraw/zinc/97/85/48/1035978548.db2.gz GZYXOQPOKGGUSR-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492558298 1035979802 /nfs/dbraw/zinc/97/98/02/1035979802.db2.gz MSLZTMIHZBUDFW-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000492558298 1035979812 /nfs/dbraw/zinc/97/98/12/1035979812.db2.gz MSLZTMIHZBUDFW-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1NC1CCCCC1 ZINC000913947330 1036013647 /nfs/dbraw/zinc/01/36/47/1036013647.db2.gz YUFHTDMGINBZAJ-HZPDHXFCSA-N 1 2 338.455 3.907 20 0 EHADLO CCC[N@H+](CC(=O)NC(C)C)[C@@H](C)c1ccccc1Br ZINC000613479810 1036016188 /nfs/dbraw/zinc/01/61/88/1036016188.db2.gz QYYOCNJIEVMZKW-ZDUSSCGKSA-N 1 2 341.293 3.747 20 0 EHADLO CCC[N@@H+](CC(=O)NC(C)C)[C@@H](C)c1ccccc1Br ZINC000613479810 1036016203 /nfs/dbraw/zinc/01/62/03/1036016203.db2.gz QYYOCNJIEVMZKW-ZDUSSCGKSA-N 1 2 341.293 3.747 20 0 EHADLO CCC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001127226090 1036018429 /nfs/dbraw/zinc/01/84/29/1036018429.db2.gz YHKXTIKMHWEZSG-INIZCTEOSA-N 1 2 337.467 3.778 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000613484132 1036038156 /nfs/dbraw/zinc/03/81/56/1036038156.db2.gz KRLZVPYXDNZCJF-HKUYNNGSSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000613484132 1036038174 /nfs/dbraw/zinc/03/81/74/1036038174.db2.gz KRLZVPYXDNZCJF-HKUYNNGSSA-N 1 2 344.499 3.698 20 0 EHADLO COc1cccc(Cl)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000174678639 1036056300 /nfs/dbraw/zinc/05/63/00/1036056300.db2.gz QRYMFYCDDURDBT-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178726 1036063904 /nfs/dbraw/zinc/06/39/04/1036063904.db2.gz HBAJKZPZIYGOPP-AEFFLSMTSA-N 1 2 332.492 3.664 20 0 EHADLO CCOc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000492621600 1036066669 /nfs/dbraw/zinc/06/66/69/1036066669.db2.gz LYMMUILNHXLLAO-ALCCZGGFSA-N 1 2 339.439 3.536 20 0 EHADLO CCOc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000492621600 1036066688 /nfs/dbraw/zinc/06/66/88/1036066688.db2.gz LYMMUILNHXLLAO-ALCCZGGFSA-N 1 2 339.439 3.536 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSc1ccccc1F)[C@@H]2C ZINC000189533094 1036083453 /nfs/dbraw/zinc/08/34/53/1036083453.db2.gz GCZFMGZHSHOJKW-CYBMUJFWSA-N 1 2 334.464 3.710 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSc1ccccc1F)[C@@H]2C ZINC000189533094 1036083468 /nfs/dbraw/zinc/08/34/68/1036083468.db2.gz GCZFMGZHSHOJKW-CYBMUJFWSA-N 1 2 334.464 3.710 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)n1 ZINC000414214746 1036099715 /nfs/dbraw/zinc/09/97/15/1036099715.db2.gz WSSSHVITTVIFAE-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000174907084 1036162643 /nfs/dbraw/zinc/16/26/43/1036162643.db2.gz WOBXQPWHADYGMI-HKUYNNGSSA-N 1 2 343.515 3.973 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000457515554 1036188441 /nfs/dbraw/zinc/18/84/41/1036188441.db2.gz OXOCQWGOZAEKNP-UHFFFAOYSA-N 1 2 347.846 3.870 20 0 EHADLO CO[C@@H](C[N@H+](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000549041522 1036203091 /nfs/dbraw/zinc/20/30/91/1036203091.db2.gz MRFDVJTZCMAUCY-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO CO[C@@H](C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000549041522 1036203111 /nfs/dbraw/zinc/20/31/11/1036203111.db2.gz MRFDVJTZCMAUCY-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO CCc1sc(-c2nnc(CSc3nc(N)cc(C)[nH+]3)o2)cc1C ZINC000024835478 1036204227 /nfs/dbraw/zinc/20/42/27/1036204227.db2.gz JHROCNDQHFTODH-UHFFFAOYSA-N 1 2 347.469 3.642 20 0 EHADLO Fc1cccc(CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1F ZINC000541351406 1036230284 /nfs/dbraw/zinc/23/02/84/1036230284.db2.gz VNJNXJVEDJWXQQ-YVMONPNESA-N 1 2 342.433 3.838 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000541340018 1036234489 /nfs/dbraw/zinc/23/44/89/1036234489.db2.gz WJRVVZCUOZBNPO-HNNXBMFYSA-N 1 2 344.434 3.589 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000175197880 1036272906 /nfs/dbraw/zinc/27/29/06/1036272906.db2.gz UGEHGURMPPXJJP-HXUWFJFHSA-N 1 2 334.419 3.885 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000175197880 1036272921 /nfs/dbraw/zinc/27/29/21/1036272921.db2.gz UGEHGURMPPXJJP-HXUWFJFHSA-N 1 2 334.419 3.885 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248776558 1036276632 /nfs/dbraw/zinc/27/66/32/1036276632.db2.gz WILSRGVUSZFZLB-YJYMSZOUSA-N 1 2 327.428 3.560 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248776558 1036276650 /nfs/dbraw/zinc/27/66/50/1036276650.db2.gz WILSRGVUSZFZLB-YJYMSZOUSA-N 1 2 327.428 3.560 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000535279099 1036299948 /nfs/dbraw/zinc/29/99/48/1036299948.db2.gz AXAVEJZNPSNVOU-MRXNPFEDSA-N 1 2 340.389 3.791 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000535279099 1036299960 /nfs/dbraw/zinc/29/99/60/1036299960.db2.gz AXAVEJZNPSNVOU-MRXNPFEDSA-N 1 2 340.389 3.791 20 0 EHADLO CC(C)CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccoc1 ZINC000414256794 1036309658 /nfs/dbraw/zinc/30/96/58/1036309658.db2.gz OHYVIUTVTXRRJI-KRWDZBQOSA-N 1 2 335.469 3.950 20 0 EHADLO CCC1CCC(N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000589215453 1036315833 /nfs/dbraw/zinc/31/58/33/1036315833.db2.gz BGAZPVWIYXDWIR-UHFFFAOYSA-N 1 2 329.488 3.612 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nccc(C(F)(F)F)n2)C2CC2)cc1 ZINC000414261786 1036322030 /nfs/dbraw/zinc/32/20/30/1036322030.db2.gz RMPBLHDLKRBXCF-OAHLLOKOSA-N 1 2 325.309 3.875 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000589256368 1036323333 /nfs/dbraw/zinc/32/33/33/1036323333.db2.gz BRUCOMVKNFKWAG-CXAGYDPISA-N 1 2 330.428 3.612 20 0 EHADLO CC[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc2cc(OC)ccc2c1 ZINC000414266262 1036360818 /nfs/dbraw/zinc/36/08/18/1036360818.db2.gz MAERRYOXZYTDAP-SFHVURJKSA-N 1 2 347.422 3.527 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(Cl)ccc1F ZINC000464359521 1036371876 /nfs/dbraw/zinc/37/18/76/1036371876.db2.gz XOIFRNADZDUSGO-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CCCCO1 ZINC000191426905 1036383079 /nfs/dbraw/zinc/38/30/79/1036383079.db2.gz XURCHNBIEMUABD-LBPRGKRZSA-N 1 2 348.306 3.528 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@@H]1CCCCO1 ZINC000191426905 1036383097 /nfs/dbraw/zinc/38/30/97/1036383097.db2.gz XURCHNBIEMUABD-LBPRGKRZSA-N 1 2 348.306 3.528 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000191499865 1036394886 /nfs/dbraw/zinc/39/48/86/1036394886.db2.gz JFMGRSKFAJCGHY-GFCCVEGCSA-N 1 2 344.249 3.596 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000191499865 1036394915 /nfs/dbraw/zinc/39/49/15/1036394915.db2.gz JFMGRSKFAJCGHY-GFCCVEGCSA-N 1 2 344.249 3.596 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000589464160 1036423160 /nfs/dbraw/zinc/42/31/60/1036423160.db2.gz CVEAPSNQEWQMKT-INIZCTEOSA-N 1 2 327.472 3.708 20 0 EHADLO c1nnc([C@H]([NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)c2cccnc2)[nH]1 ZINC000572713668 1036466927 /nfs/dbraw/zinc/46/69/27/1036466927.db2.gz MDVVXYYEMCEGCE-YSIASYRMSA-N 1 2 347.466 3.853 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC000572725473 1036471222 /nfs/dbraw/zinc/47/12/22/1036471222.db2.gz PLIIPRVECUKLBG-HNNXBMFYSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)(C)C1CC(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000457775747 1036495579 /nfs/dbraw/zinc/49/55/79/1036495579.db2.gz KPLWJHDMDWJQPI-KLAILNCOSA-N 1 2 343.515 3.998 20 0 EHADLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccco1 ZINC000026366750 1036504251 /nfs/dbraw/zinc/50/42/51/1036504251.db2.gz ZKUVBKJMPMHPJQ-UHFFFAOYSA-N 1 2 349.434 3.509 20 0 EHADLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccco1 ZINC000026366750 1036504258 /nfs/dbraw/zinc/50/42/58/1036504258.db2.gz ZKUVBKJMPMHPJQ-UHFFFAOYSA-N 1 2 349.434 3.509 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000192624368 1036519092 /nfs/dbraw/zinc/51/90/92/1036519092.db2.gz DKCMCORGWZDGJA-UHFFFAOYSA-N 1 2 325.343 3.758 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000192624368 1036519102 /nfs/dbraw/zinc/51/91/02/1036519102.db2.gz DKCMCORGWZDGJA-UHFFFAOYSA-N 1 2 325.343 3.758 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)cn1 ZINC000541645600 1036537068 /nfs/dbraw/zinc/53/70/68/1036537068.db2.gz UDJUJVSDZJSBLS-QWHCGFSZSA-N 1 2 325.416 3.525 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nccs2)c1)c1ccc(F)cc1 ZINC000589642542 1036573719 /nfs/dbraw/zinc/57/37/19/1036573719.db2.gz LTIWUODHHXJRRZ-UHFFFAOYSA-N 1 2 341.411 3.824 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000249117847 1036573926 /nfs/dbraw/zinc/57/39/26/1036573926.db2.gz WMWBCXPMRNWOFJ-VQISRLSMSA-N 1 2 337.370 3.652 20 0 EHADLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000546971897 1036590591 /nfs/dbraw/zinc/59/05/91/1036590591.db2.gz FWLQUGOMONAICZ-UHFFFAOYSA-N 1 2 346.858 3.919 20 0 EHADLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000546971897 1036590604 /nfs/dbraw/zinc/59/06/04/1036590604.db2.gz FWLQUGOMONAICZ-UHFFFAOYSA-N 1 2 346.858 3.919 20 0 EHADLO Cc1cnc(C[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)nc1 ZINC000535526517 1036596574 /nfs/dbraw/zinc/59/65/74/1036596574.db2.gz SPWZALUQHFFCFN-UHFFFAOYSA-N 1 2 325.456 3.952 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929699547 1036611139 /nfs/dbraw/zinc/61/11/39/1036611139.db2.gz AIRGRMYOCXPZLZ-GFCCVEGCSA-N 1 2 337.876 3.655 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929699547 1036611146 /nfs/dbraw/zinc/61/11/46/1036611146.db2.gz AIRGRMYOCXPZLZ-GFCCVEGCSA-N 1 2 337.876 3.655 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000541779732 1036631989 /nfs/dbraw/zinc/63/19/89/1036631989.db2.gz GJWRHZWETDOOQT-UHFFFAOYSA-N 1 2 347.434 3.770 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000541779732 1036632007 /nfs/dbraw/zinc/63/20/07/1036632007.db2.gz GJWRHZWETDOOQT-UHFFFAOYSA-N 1 2 347.434 3.770 20 0 EHADLO CC[C@H](Oc1cccc(C)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000176500875 1036632483 /nfs/dbraw/zinc/63/24/83/1036632483.db2.gz QSDGVQYCHFNMOX-SFHVURJKSA-N 1 2 341.455 3.556 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2cnc3ccccc3n2)c2ccccn2)cc1 ZINC000589831691 1036634190 /nfs/dbraw/zinc/63/41/90/1036634190.db2.gz LDDHKJNNFDMVJO-NRFANRHFSA-N 1 2 326.403 3.904 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176531656 1036637473 /nfs/dbraw/zinc/63/74/73/1036637473.db2.gz YVXKLFUTXUHVTC-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176531656 1036637488 /nfs/dbraw/zinc/63/74/88/1036637488.db2.gz YVXKLFUTXUHVTC-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1csc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)n1 ZINC000541774654 1036645499 /nfs/dbraw/zinc/64/54/99/1036645499.db2.gz YHRXUMPAQCZXOX-IHWYPQMZSA-N 1 2 335.423 3.565 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cn3cccnc3=S)CC2)c1 ZINC000057104898 1036704962 /nfs/dbraw/zinc/70/49/62/1036704962.db2.gz NLYLQAVFBKWDKJ-UHFFFAOYSA-N 1 2 329.469 3.730 20 0 EHADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ncc(CSC)s1 ZINC000590184475 1036789194 /nfs/dbraw/zinc/78/91/94/1036789194.db2.gz BIERQHMXFRRUQO-ZDUSSCGKSA-N 1 2 336.482 3.628 20 0 EHADLO FC(F)(F)Oc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1Cl ZINC001218274860 1036883215 /nfs/dbraw/zinc/88/32/15/1036883215.db2.gz ROXTVOWKRWSYEJ-QMMMGPOBSA-N 1 2 331.668 3.615 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000580092497 1036891809 /nfs/dbraw/zinc/89/18/09/1036891809.db2.gz ICVXRKSLINYGES-YJBOKZPZSA-N 1 2 325.456 3.904 20 0 EHADLO CC[C@H]([NH2+]Cc1csc(COC)n1)c1cccc(OC)c1OC ZINC000631264348 1036900191 /nfs/dbraw/zinc/90/01/91/1036900191.db2.gz IOMGBXYTDOARCD-AWEZNQCLSA-N 1 2 336.457 3.548 20 0 EHADLO C[C@@H](CNc1nc2ccccc2c(-c2ccccc2)n1)Cn1cc[nH+]c1 ZINC000590493443 1036901214 /nfs/dbraw/zinc/90/12/14/1036901214.db2.gz CDNFNTPHIKJFAP-INIZCTEOSA-N 1 2 343.434 3.663 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000470939057 1036903352 /nfs/dbraw/zinc/90/33/52/1036903352.db2.gz BOCBXCIRLZOTST-ZYHUDNBSSA-N 1 2 345.315 3.923 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000470939057 1036903374 /nfs/dbraw/zinc/90/33/74/1036903374.db2.gz BOCBXCIRLZOTST-ZYHUDNBSSA-N 1 2 345.315 3.923 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000541992116 1036955730 /nfs/dbraw/zinc/95/57/30/1036955730.db2.gz NNXHTUVGNFVRNB-HNNXBMFYSA-N 1 2 339.501 3.827 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000541992116 1036955744 /nfs/dbraw/zinc/95/57/44/1036955744.db2.gz NNXHTUVGNFVRNB-HNNXBMFYSA-N 1 2 339.501 3.827 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590617128 1036969669 /nfs/dbraw/zinc/96/96/69/1036969669.db2.gz AHYADLZZJZHSIV-MSOLQXFVSA-N 1 2 344.503 3.840 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cc3cc(Cl)cnc3o2)c1 ZINC000590647208 1036988238 /nfs/dbraw/zinc/98/82/38/1036988238.db2.gz QAJJWDNTGRLIHA-UHFFFAOYSA-N 1 2 349.843 3.714 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CCCC2)c1 ZINC000590726583 1037006421 /nfs/dbraw/zinc/00/64/21/1037006421.db2.gz FNXBRPHHKWRQTK-IBGZPJMESA-N 1 2 337.467 3.867 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728738 1037006957 /nfs/dbraw/zinc/00/69/57/1037006957.db2.gz GYJRBZUWNBSQCV-VNQPRFMTSA-N 1 2 329.831 3.504 20 0 EHADLO Clc1ccccc1OCCNc1ccccc1C[NH+]1CCOCC1 ZINC000178315080 1037024378 /nfs/dbraw/zinc/02/43/78/1037024378.db2.gz HIHDMWHMZYWGNC-UHFFFAOYSA-N 1 2 346.858 3.663 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590730835 1037031339 /nfs/dbraw/zinc/03/13/39/1037031339.db2.gz NSWLNQUEEBUNPP-QGZVFWFLSA-N 1 2 341.455 3.557 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000053144141 1037047833 /nfs/dbraw/zinc/04/78/33/1037047833.db2.gz KYHZYLJZOYOMKN-CQSZACIVSA-N 1 2 331.485 3.836 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000053144141 1037047850 /nfs/dbraw/zinc/04/78/50/1037047850.db2.gz KYHZYLJZOYOMKN-CQSZACIVSA-N 1 2 331.485 3.836 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+]([C@H](C)c1nc(C(C)(C)C)no1)C2 ZINC000590789130 1037053545 /nfs/dbraw/zinc/05/35/45/1037053545.db2.gz QPVSOKKQORCQAF-CYBMUJFWSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)c1nc(C(C)(C)C)no1)C2 ZINC000590789130 1037053561 /nfs/dbraw/zinc/05/35/61/1037053561.db2.gz QPVSOKKQORCQAF-CYBMUJFWSA-N 1 2 329.444 3.885 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613537404 1037062636 /nfs/dbraw/zinc/06/26/36/1037062636.db2.gz LTYJFUMXMQZGCL-MMTROXRISA-N 1 2 337.467 3.600 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590799674 1037065665 /nfs/dbraw/zinc/06/56/65/1037065665.db2.gz OJYXLHVAWPVOJF-ZDUSSCGKSA-N 1 2 348.834 3.723 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542114951 1037072707 /nfs/dbraw/zinc/07/27/07/1037072707.db2.gz XAFNVEKJPKOCHX-IAGOWNOFSA-N 1 2 334.508 3.910 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542115073 1037072912 /nfs/dbraw/zinc/07/29/12/1037072912.db2.gz XAFNVEKJPKOCHX-SJORKVTESA-N 1 2 334.508 3.910 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccc(OC)cc1 ZINC000761504955 1037087529 /nfs/dbraw/zinc/08/75/29/1037087529.db2.gz DAPLTXSQGRXZIV-UHFFFAOYSA-N 1 2 346.500 3.563 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc2cccnc2o1)c1nc(-c2ccncc2)no1 ZINC000648497779 1037134533 /nfs/dbraw/zinc/13/45/33/1037134533.db2.gz JLJSAFHAKLDSAT-INIZCTEOSA-N 1 2 349.394 3.760 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000539750447 1037137826 /nfs/dbraw/zinc/13/78/26/1037137826.db2.gz LADVHOVUOMKMGS-UHFFFAOYSA-N 1 2 336.395 3.523 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655748924 1037182474 /nfs/dbraw/zinc/18/24/74/1037182474.db2.gz NCMQEFIKZKUQMU-MRXNPFEDSA-N 1 2 327.472 3.995 20 0 EHADLO Cc1nc2ccc(-c3noc(C[C@@H](C)n4cc[nH+]c4)n3)cc2s1 ZINC000351413033 1037208513 /nfs/dbraw/zinc/20/85/13/1037208513.db2.gz DDIMFNVKGDFIRT-SNVBAGLBSA-N 1 2 325.397 3.655 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CCN1CC(F)F ZINC000539849971 1037280416 /nfs/dbraw/zinc/28/04/16/1037280416.db2.gz IVFJUIUNPLFOKS-GFCCVEGCSA-N 1 2 331.476 3.602 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cnc(C(C)(C)C)s2)CCN1CC(F)F ZINC000539849971 1037280425 /nfs/dbraw/zinc/28/04/25/1037280425.db2.gz IVFJUIUNPLFOKS-GFCCVEGCSA-N 1 2 331.476 3.602 20 0 EHADLO C[N@H+](C/C=C/c1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000539839434 1037282998 /nfs/dbraw/zinc/28/29/98/1037282998.db2.gz PUYZDFKGZVBDNP-NSCUHMNNSA-N 1 2 334.341 3.688 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000539839434 1037283011 /nfs/dbraw/zinc/28/30/11/1037283011.db2.gz PUYZDFKGZVBDNP-NSCUHMNNSA-N 1 2 334.341 3.688 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000573134288 1037296886 /nfs/dbraw/zinc/29/68/86/1037296886.db2.gz DUDHDSSDAYOJKC-WDEREUQCSA-N 1 2 340.254 3.815 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000573134288 1037296903 /nfs/dbraw/zinc/29/69/03/1037296903.db2.gz DUDHDSSDAYOJKC-WDEREUQCSA-N 1 2 340.254 3.815 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000044584009 1037359097 /nfs/dbraw/zinc/35/90/97/1037359097.db2.gz ZSGVEWGEEGHOHX-PYUISTEWSA-N 1 2 340.471 3.585 20 0 EHADLO C[C@@H](c1nncn1C)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000376511939 1037361194 /nfs/dbraw/zinc/36/11/94/1037361194.db2.gz PPBUUUHAAOBQQB-LBPRGKRZSA-N 1 2 336.361 3.684 20 0 EHADLO C[C@@H](c1nncn1C)[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000376511939 1037361209 /nfs/dbraw/zinc/36/12/09/1037361209.db2.gz PPBUUUHAAOBQQB-LBPRGKRZSA-N 1 2 336.361 3.684 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378752 1037380897 /nfs/dbraw/zinc/38/08/97/1037380897.db2.gz GPZOTDUIXAPMCD-SFHVURJKSA-N 1 2 348.368 3.510 20 0 EHADLO CC1(CC(F)(F)F)CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493467194 1037382493 /nfs/dbraw/zinc/38/24/93/1037382493.db2.gz ZNDPWWAYGIOBLT-QPJJXVBHSA-N 1 2 349.356 3.686 20 0 EHADLO C[C@@H]1CCC[N@H+](CCCCNc2nc(-c3ccccc3)ns2)C1 ZINC000462790315 1037403518 /nfs/dbraw/zinc/40/35/18/1037403518.db2.gz UHXPHMAGIWCUGY-OAHLLOKOSA-N 1 2 330.501 3.551 20 0 EHADLO C[C@@H]1CCC[N@@H+](CCCCNc2nc(-c3ccccc3)ns2)C1 ZINC000462790315 1037403536 /nfs/dbraw/zinc/40/35/36/1037403536.db2.gz UHXPHMAGIWCUGY-OAHLLOKOSA-N 1 2 330.501 3.551 20 0 EHADLO Cc1nc(NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)cc[nH+]1 ZINC000462802981 1037424084 /nfs/dbraw/zinc/42/40/84/1037424084.db2.gz OZFFWCMWOSVQNJ-UHFFFAOYSA-N 1 2 331.419 3.811 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nonc2C)cc1Br ZINC000924583898 1037437976 /nfs/dbraw/zinc/43/79/76/1037437976.db2.gz AWZODDRJDXGFTR-IUCAKERBSA-N 1 2 340.221 3.561 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000493559254 1037453855 /nfs/dbraw/zinc/45/38/55/1037453855.db2.gz RENHZHBSONTQHN-YVMONPNESA-N 1 2 349.406 3.700 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000493559254 1037453867 /nfs/dbraw/zinc/45/38/67/1037453867.db2.gz RENHZHBSONTQHN-YVMONPNESA-N 1 2 349.406 3.700 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000171140234 1037474416 /nfs/dbraw/zinc/47/44/16/1037474416.db2.gz FRHDLJSJXPOXEF-CQSZACIVSA-N 1 2 325.412 3.511 20 0 EHADLO Cn1ncnc1C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000177370486 1037498805 /nfs/dbraw/zinc/49/88/05/1037498805.db2.gz MCAJNYBALBXJKF-UHFFFAOYSA-N 1 2 339.270 3.577 20 0 EHADLO O=C(Nc1ncc(C2CCCCC2)s1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573449328 1037498818 /nfs/dbraw/zinc/49/88/18/1037498818.db2.gz RJTZIQXZAMPVFG-CYBMUJFWSA-N 1 2 330.457 3.588 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493644376 1037527680 /nfs/dbraw/zinc/52/76/80/1037527680.db2.gz NQNWSDRGSWCVFW-MQNTZWLQSA-N 1 2 325.412 3.575 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000493695968 1037550634 /nfs/dbraw/zinc/55/06/34/1037550634.db2.gz TXEGIGKPEZRKDB-WAYWQWQTSA-N 1 2 335.329 3.637 20 0 EHADLO FC1(F)CCC[N@H+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000628422013 1037567635 /nfs/dbraw/zinc/56/76/35/1037567635.db2.gz IXHOWXOXPNXVQQ-UHFFFAOYSA-N 1 2 344.203 3.718 20 0 EHADLO FC1(F)CCC[N@@H+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000628422013 1037567655 /nfs/dbraw/zinc/56/76/55/1037567655.db2.gz IXHOWXOXPNXVQQ-UHFFFAOYSA-N 1 2 344.203 3.718 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000101543379 1037570688 /nfs/dbraw/zinc/57/06/88/1037570688.db2.gz UMQZWPCJESXQJD-OAQYLSRUSA-N 1 2 331.419 3.919 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000303590985 1037590433 /nfs/dbraw/zinc/59/04/33/1037590433.db2.gz VCIJDDOIHCYVGM-KRWDZBQOSA-N 1 2 343.515 3.589 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C=C1CCC(C)(C)CC1 ZINC000151727699 1037590647 /nfs/dbraw/zinc/59/06/47/1037590647.db2.gz JSHFBDOIWARYMJ-UHFFFAOYSA-N 1 2 343.471 3.692 20 0 EHADLO Cc1ccc(/C=C\C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000493798127 1037620344 /nfs/dbraw/zinc/62/03/44/1037620344.db2.gz YULQYPNPZKOXAM-HJWRWDBZSA-N 1 2 343.858 3.853 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)n1 ZINC000591811829 1037657596 /nfs/dbraw/zinc/65/75/96/1037657596.db2.gz SMCLGYMPIGHXMM-KRWDZBQOSA-N 1 2 329.444 3.622 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)n1 ZINC000591811829 1037657603 /nfs/dbraw/zinc/65/76/03/1037657603.db2.gz SMCLGYMPIGHXMM-KRWDZBQOSA-N 1 2 329.444 3.622 20 0 EHADLO Cc1nc(CC2CC2)oc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000573626386 1037665905 /nfs/dbraw/zinc/66/59/05/1037665905.db2.gz DJGGWTLKWNHZEX-UHFFFAOYSA-N 1 2 336.395 3.886 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000666640572 1037706807 /nfs/dbraw/zinc/70/68/07/1037706807.db2.gz NIZPWAORRUHZIL-UHFFFAOYSA-N 1 2 343.393 3.667 20 0 EHADLO O=C(/C=C\c1cccc(-c2ccccc2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000491852167 1037718460 /nfs/dbraw/zinc/71/84/60/1037718460.db2.gz WVOUXSUJHZIBPG-KTKRTIGZSA-N 1 2 329.403 3.647 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C2CC2)cc1 ZINC000666640659 1037735760 /nfs/dbraw/zinc/73/57/60/1037735760.db2.gz PYKAVTYRYLMADX-UHFFFAOYSA-N 1 2 335.451 3.879 20 0 EHADLO Cc1[nH]c(CNc2cccc(S(=O)(=O)C3CCCCC3)c2)[nH+]c1C ZINC000573816262 1037758040 /nfs/dbraw/zinc/75/80/40/1037758040.db2.gz ATEPDLIBSRADFV-UHFFFAOYSA-N 1 2 347.484 3.745 20 0 EHADLO CC1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)CC1 ZINC001168219601 1037762771 /nfs/dbraw/zinc/76/27/71/1037762771.db2.gz MHWWLFMVLFQHMD-JXQTWKCFSA-N 1 2 332.435 3.799 20 0 EHADLO CC1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)CC1 ZINC001168219601 1037762788 /nfs/dbraw/zinc/76/27/88/1037762788.db2.gz MHWWLFMVLFQHMD-JXQTWKCFSA-N 1 2 332.435 3.799 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000493984316 1037770609 /nfs/dbraw/zinc/77/06/09/1037770609.db2.gz HQFGOSSZFYOMJY-HXUWFJFHSA-N 1 2 349.434 3.552 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)C2 ZINC001168230275 1037816954 /nfs/dbraw/zinc/81/69/54/1037816954.db2.gz LJXZVXGFCWVUCO-WMZOPIPTSA-N 1 2 333.472 3.508 20 0 EHADLO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000540331153 1037830287 /nfs/dbraw/zinc/83/02/87/1037830287.db2.gz ORKNDAWSYANEQQ-NSHDSACASA-N 1 2 336.407 3.976 20 0 EHADLO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC001168232574 1037836458 /nfs/dbraw/zinc/83/64/58/1037836458.db2.gz CEUPLLDHBYFDDZ-DZGCQCFKSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC001168232574 1037836484 /nfs/dbraw/zinc/83/64/84/1037836484.db2.gz CEUPLLDHBYFDDZ-DZGCQCFKSA-N 1 2 327.346 3.651 20 0 EHADLO C[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000187919569 1037864616 /nfs/dbraw/zinc/86/46/16/1037864616.db2.gz FSSPUCWVZQROEN-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO C[C@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000187919569 1037864629 /nfs/dbraw/zinc/86/46/29/1037864629.db2.gz FSSPUCWVZQROEN-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO CC[C@H](C)[C@@H]([NH2+]Cc1nc(CCOC)no1)c1ccc(Cl)cc1 ZINC000540388478 1037881691 /nfs/dbraw/zinc/88/16/91/1037881691.db2.gz QGBZYYQAQQOLDY-YVEFUNNKSA-N 1 2 337.851 3.789 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)Nc1ccc(Br)cc1 ZINC000152962857 1037899675 /nfs/dbraw/zinc/89/96/75/1037899675.db2.gz ZXHFUNDQWSDYSN-UHFFFAOYSA-N 1 2 341.596 3.646 20 0 EHADLO Fc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)c2ncccc12 ZINC000669942134 1037920328 /nfs/dbraw/zinc/92/03/28/1037920328.db2.gz JRBATTQLZJFTKZ-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Fc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)c2ncccc12 ZINC000669942134 1037920351 /nfs/dbraw/zinc/92/03/51/1037920351.db2.gz JRBATTQLZJFTKZ-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO CC(C)Oc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000492070137 1037934527 /nfs/dbraw/zinc/93/45/27/1037934527.db2.gz URNJMUPFOMEBBL-YVMONPNESA-N 1 2 339.439 3.616 20 0 EHADLO CC(C)Oc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000492070137 1037934533 /nfs/dbraw/zinc/93/45/33/1037934533.db2.gz URNJMUPFOMEBBL-YVMONPNESA-N 1 2 339.439 3.616 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000492068849 1037935471 /nfs/dbraw/zinc/93/54/71/1037935471.db2.gz PNRVDDWGKVBWML-ARBSDZIJSA-N 1 2 325.412 3.546 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000492068849 1037935476 /nfs/dbraw/zinc/93/54/76/1037935476.db2.gz PNRVDDWGKVBWML-ARBSDZIJSA-N 1 2 325.412 3.546 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000540435714 1037956932 /nfs/dbraw/zinc/95/69/32/1037956932.db2.gz UKHBXMBNPCPEGS-GFCCVEGCSA-N 1 2 332.473 3.514 20 0 EHADLO CC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccc(F)cc1 ZINC000184107818 1038006003 /nfs/dbraw/zinc/00/60/03/1038006003.db2.gz ALNLRDSTNZHQDC-KRWDZBQOSA-N 1 2 344.430 3.998 20 0 EHADLO Cc1n[nH]cc1CNc1[nH+]cccc1OCc1cccc(Cl)c1 ZINC000184306808 1038025475 /nfs/dbraw/zinc/02/54/75/1038025475.db2.gz OKMTXNAKRYODDX-UHFFFAOYSA-N 1 2 328.803 3.958 20 0 EHADLO Cc1nc2c(s1)C[N@H+](Cc1ccc(C(F)(F)F)nc1C)CC2 ZINC001141432553 1038060570 /nfs/dbraw/zinc/06/05/70/1038060570.db2.gz BMFUQEXAUUQZSX-UHFFFAOYSA-N 1 2 327.375 3.732 20 0 EHADLO Cc1nc2c(s1)C[N@@H+](Cc1ccc(C(F)(F)F)nc1C)CC2 ZINC001141432553 1038060590 /nfs/dbraw/zinc/06/05/90/1038060590.db2.gz BMFUQEXAUUQZSX-UHFFFAOYSA-N 1 2 327.375 3.732 20 0 EHADLO Cc1cccnc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000106480223 1038070773 /nfs/dbraw/zinc/07/07/73/1038070773.db2.gz QPUXOCIGZQELGL-UHFFFAOYSA-N 1 2 339.420 3.532 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(OCC)n1 ZINC000506804039 1038092606 /nfs/dbraw/zinc/09/26/06/1038092606.db2.gz DTICCRXEXIJHIY-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(OCC)n1 ZINC000506804039 1038092622 /nfs/dbraw/zinc/09/26/22/1038092622.db2.gz DTICCRXEXIJHIY-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO Cn1cnn(C[NH+]2CCC(c3cccc4ccccc43)CC2)c1=S ZINC000058539824 1038093962 /nfs/dbraw/zinc/09/39/62/1038093962.db2.gz RCBUCCPHJCMEBV-UHFFFAOYSA-N 1 2 338.480 3.941 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccco3)n2)CC1 ZINC000123925220 1038107264 /nfs/dbraw/zinc/10/72/64/1038107264.db2.gz SUMWTXHCEQUWMP-HUUCEWRRSA-N 1 2 345.468 3.710 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1nc(C2CC2)no1 ZINC000540589725 1038116045 /nfs/dbraw/zinc/11/60/45/1038116045.db2.gz HVQKFWAWNVVNEQ-AWEZNQCLSA-N 1 2 349.818 3.816 20 0 EHADLO COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000106622486 1038157927 /nfs/dbraw/zinc/15/79/27/1038157927.db2.gz WPTXNIGDPCBAEM-MOPGFXCFSA-N 1 2 333.391 3.623 20 0 EHADLO CO[C@@](C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000106627318 1038160624 /nfs/dbraw/zinc/16/06/24/1038160624.db2.gz MGYCVNNYDODLPV-LJQANCHMSA-N 1 2 339.370 3.512 20 0 EHADLO O=C(N1CC[NH+](Cc2cccs2)CC1)C1(C(F)(F)F)CCCC1 ZINC000416129404 1038193492 /nfs/dbraw/zinc/19/34/92/1038193492.db2.gz WASYSEFPSHLMHJ-UHFFFAOYSA-N 1 2 346.418 3.515 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc2cc(Cl)ccc21 ZINC000532645919 1038318678 /nfs/dbraw/zinc/31/86/78/1038318678.db2.gz PYUWHWGWTYIBLP-GJZGRUSLSA-N 1 2 349.887 3.849 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc2cc(Cl)ccc21 ZINC000532645919 1038318690 /nfs/dbraw/zinc/31/86/90/1038318690.db2.gz PYUWHWGWTYIBLP-GJZGRUSLSA-N 1 2 349.887 3.849 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccccc3)cn2c1 ZINC000043507498 1038332334 /nfs/dbraw/zinc/33/23/34/1038332334.db2.gz FNICENOWZGYABE-HNNXBMFYSA-N 1 2 339.464 3.753 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCCC2 ZINC000538509363 1038348570 /nfs/dbraw/zinc/34/85/70/1038348570.db2.gz OYGYDFGNPQLPSW-VQTJNVASSA-N 1 2 344.499 3.981 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@H+](C)[C@]3(CO)CCOC3)cs2)cc1 ZINC000461363436 1038365566 /nfs/dbraw/zinc/36/55/66/1038365566.db2.gz QNFWAAGOOMXPQJ-IBGZPJMESA-N 1 2 346.496 3.517 20 0 EHADLO CC(C)c1ccc(-c2nc(C[N@@H+](C)[C@]3(CO)CCOC3)cs2)cc1 ZINC000461363436 1038365581 /nfs/dbraw/zinc/36/55/81/1038365581.db2.gz QNFWAAGOOMXPQJ-IBGZPJMESA-N 1 2 346.496 3.517 20 0 EHADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)COc1c(Cl)cccc1Cl ZINC000398023199 1038394914 /nfs/dbraw/zinc/39/49/14/1038394914.db2.gz CPNJIZIKGNQATG-BXKDBHETSA-N 1 2 340.197 3.511 20 0 EHADLO c1ccc([C@@H]2COCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000378344323 1038484639 /nfs/dbraw/zinc/48/46/39/1038484639.db2.gz ZTENUBNKYBZCCK-FQEVSTJZSA-N 1 2 347.418 3.842 20 0 EHADLO c1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000378344323 1038484642 /nfs/dbraw/zinc/48/46/42/1038484642.db2.gz ZTENUBNKYBZCCK-FQEVSTJZSA-N 1 2 347.418 3.842 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000538723769 1038492486 /nfs/dbraw/zinc/49/24/86/1038492486.db2.gz YRYPTPQORPKYPB-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000538723769 1038492492 /nfs/dbraw/zinc/49/24/92/1038492492.db2.gz YRYPTPQORPKYPB-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C)c[nH+]1 ZINC000378353847 1038504136 /nfs/dbraw/zinc/50/41/36/1038504136.db2.gz HECCMEDIDHHRLR-XIKOKIGWSA-N 1 2 327.403 3.874 20 0 EHADLO Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651368596 1038584840 /nfs/dbraw/zinc/58/48/40/1038584840.db2.gz CWNNAJJVLSVGDB-KRWDZBQOSA-N 1 2 341.455 3.807 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489287 1038660408 /nfs/dbraw/zinc/66/04/08/1038660408.db2.gz BULHTPVSLDTKIS-NVXWUHKLSA-N 1 2 345.464 3.568 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489287 1038660410 /nfs/dbraw/zinc/66/04/10/1038660410.db2.gz BULHTPVSLDTKIS-NVXWUHKLSA-N 1 2 345.464 3.568 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc2cccnc21 ZINC000552034968 1038751701 /nfs/dbraw/zinc/75/17/01/1038751701.db2.gz ANYSLEGXXAHPSQ-QAQDUYKDSA-N 1 2 346.434 3.783 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]2CCOC2)cc1 ZINC000539296801 1038765876 /nfs/dbraw/zinc/76/58/76/1038765876.db2.gz DSEFBNCJNOILQR-SJLPKXTDSA-N 1 2 327.428 3.595 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000488013995 1038777609 /nfs/dbraw/zinc/77/76/09/1038777609.db2.gz XLZYPSDHJLTRPN-LJQANCHMSA-N 1 2 344.405 3.725 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000488013995 1038777622 /nfs/dbraw/zinc/77/76/22/1038777622.db2.gz XLZYPSDHJLTRPN-LJQANCHMSA-N 1 2 344.405 3.725 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905325696 1038800421 /nfs/dbraw/zinc/80/04/21/1038800421.db2.gz VRPQEJGZUBPXSF-UHFFFAOYSA-N 1 2 348.450 3.739 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)c(C)[nH+]1 ZINC000905330632 1038828906 /nfs/dbraw/zinc/82/89/06/1038828906.db2.gz VPPXUKNVOTVGFX-UHFFFAOYSA-N 1 2 325.437 3.889 20 0 EHADLO c1cn(-c2cccc(CNc3cnc(-c4ccccc4)cn3)c2)c[nH+]1 ZINC000488080117 1038831311 /nfs/dbraw/zinc/83/13/11/1038831311.db2.gz ACDIGHNFHRWWER-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cc1cnc(Cl)c(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000905405326 1038862398 /nfs/dbraw/zinc/86/23/98/1038862398.db2.gz HHTNPQQFSYXCHZ-KBPBESRZSA-N 1 2 346.862 3.664 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000539377924 1038868246 /nfs/dbraw/zinc/86/82/46/1038868246.db2.gz ZEQKSQNAQPNKAR-QWHCGFSZSA-N 1 2 326.843 3.921 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@](C)(C(F)F)O1 ZINC000668821954 1038874003 /nfs/dbraw/zinc/87/40/03/1038874003.db2.gz OEEBDINWZVOPKQ-FZKQIMNGSA-N 1 2 341.446 3.712 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@](C)(C(F)F)O1 ZINC000668821954 1038874030 /nfs/dbraw/zinc/87/40/30/1038874030.db2.gz OEEBDINWZVOPKQ-FZKQIMNGSA-N 1 2 341.446 3.712 20 0 EHADLO Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c2cccnc2c1C ZINC000651404468 1038970511 /nfs/dbraw/zinc/97/05/11/1038970511.db2.gz VUIGTLWRSVFCDH-UHFFFAOYSA-N 1 2 334.423 3.566 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000509744368 1038984199 /nfs/dbraw/zinc/98/41/99/1038984199.db2.gz HMLDADUSNNYNPO-YESZJQIVSA-N 1 2 347.503 3.518 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)on1 ZINC000007789592 1039017290 /nfs/dbraw/zinc/01/72/90/1039017290.db2.gz QVJFBJIHKRGVST-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)on1 ZINC000007789592 1039017305 /nfs/dbraw/zinc/01/73/05/1039017305.db2.gz QVJFBJIHKRGVST-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000156530627 1039019493 /nfs/dbraw/zinc/01/94/93/1039019493.db2.gz WOPOSMAVODTIMN-VQIMIIECSA-N 1 2 348.450 3.681 20 0 EHADLO FC1(F)CC[C@@H](CNc2cc(NC[C@@H]3CCC(F)(F)C3)[nH+]cn2)C1 ZINC000485405787 1039023365 /nfs/dbraw/zinc/02/33/65/1039023365.db2.gz DPYSOVXHZBZPST-VXGBXAGGSA-N 1 2 346.372 3.593 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+]CCOC1CCSCC1 ZINC000898438604 1039024285 /nfs/dbraw/zinc/02/42/85/1039024285.db2.gz CXQWEJBVWFOROA-INIZCTEOSA-N 1 2 329.456 3.755 20 0 EHADLO CC(C)C[C@H](c1nc(-c2cccc(-n3cccn3)c2)no1)n1cc[nH+]c1 ZINC000923890245 1039029151 /nfs/dbraw/zinc/02/91/51/1039029151.db2.gz XZOURCMMOIBTJM-QGZVFWFLSA-N 1 2 348.410 3.754 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916331 1039048400 /nfs/dbraw/zinc/04/84/00/1039048400.db2.gz VYSFIPDNTCYCCU-DGCLKSJQSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916331 1039048417 /nfs/dbraw/zinc/04/84/17/1039048417.db2.gz VYSFIPDNTCYCCU-DGCLKSJQSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000500605289 1039053145 /nfs/dbraw/zinc/05/31/45/1039053145.db2.gz GVVPAGQVWMRPNO-IKGGRYGDSA-N 1 2 344.503 3.517 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512408673 1039059292 /nfs/dbraw/zinc/05/92/92/1039059292.db2.gz JHYLNCWTVGSEIG-IPYPFGDCSA-N 1 2 343.298 3.849 20 0 EHADLO CC(C)(C)c1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1O ZINC000480052344 1039089935 /nfs/dbraw/zinc/08/99/35/1039089935.db2.gz DBUMUGLUXVBKQL-SFHVURJKSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)(C)c1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1O ZINC000480052344 1039089953 /nfs/dbraw/zinc/08/99/53/1039089953.db2.gz DBUMUGLUXVBKQL-SFHVURJKSA-N 1 2 338.451 3.903 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000488346060 1039106190 /nfs/dbraw/zinc/10/61/90/1039106190.db2.gz QBZLQIGAOJWDPL-CQSZACIVSA-N 1 2 341.846 3.899 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000488346060 1039106197 /nfs/dbraw/zinc/10/61/97/1039106197.db2.gz QBZLQIGAOJWDPL-CQSZACIVSA-N 1 2 341.846 3.899 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1F ZINC000552256323 1039114562 /nfs/dbraw/zinc/11/45/62/1039114562.db2.gz DSZBJHBFOPMNAU-LJQANCHMSA-N 1 2 331.362 3.640 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1F ZINC000552256323 1039114573 /nfs/dbraw/zinc/11/45/73/1039114573.db2.gz DSZBJHBFOPMNAU-LJQANCHMSA-N 1 2 331.362 3.640 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cncc(F)c1 ZINC000554264096 1039134783 /nfs/dbraw/zinc/13/47/83/1039134783.db2.gz LYJGIOJXGYVOCQ-XIRDDKMYSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(F)c1 ZINC000554264096 1039134788 /nfs/dbraw/zinc/13/47/88/1039134788.db2.gz LYJGIOJXGYVOCQ-XIRDDKMYSA-N 1 2 334.435 3.696 20 0 EHADLO Cc1cccc([C@H]2CCCC[N@@H+]2Cc2ncnn2CC(F)F)c1C ZINC000488412456 1039167700 /nfs/dbraw/zinc/16/77/00/1039167700.db2.gz LNBXZFXGCYEINR-MRXNPFEDSA-N 1 2 334.414 3.887 20 0 EHADLO Cc1cccc([C@H]2CCCC[N@H+]2Cc2ncnn2CC(F)F)c1C ZINC000488412456 1039167704 /nfs/dbraw/zinc/16/77/04/1039167704.db2.gz LNBXZFXGCYEINR-MRXNPFEDSA-N 1 2 334.414 3.887 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442144 1039169388 /nfs/dbraw/zinc/16/93/88/1039169388.db2.gz DMUDIQCAYXEONQ-RDTXWAMCSA-N 1 2 334.414 3.825 20 0 EHADLO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442144 1039169396 /nfs/dbraw/zinc/16/93/96/1039169396.db2.gz DMUDIQCAYXEONQ-RDTXWAMCSA-N 1 2 334.414 3.825 20 0 EHADLO CCCCCC[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000905896724 1039170675 /nfs/dbraw/zinc/17/06/75/1039170675.db2.gz LGFSXUSZUBQTPZ-YJBOKZPZSA-N 1 2 333.451 3.570 20 0 EHADLO CCc1onc(C)c1C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000927134743 1039197827 /nfs/dbraw/zinc/19/78/27/1039197827.db2.gz MXNOAYDNQGRYQZ-AWEZNQCLSA-N 1 2 326.799 3.815 20 0 EHADLO Cc1ccc(C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)c(C)c1 ZINC000294111996 1039208403 /nfs/dbraw/zinc/20/84/03/1039208403.db2.gz JVCQICZITAJIDR-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO Cc1ccc(C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)c(C)c1 ZINC000294111996 1039208416 /nfs/dbraw/zinc/20/84/16/1039208416.db2.gz JVCQICZITAJIDR-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO FC(F)CN1CCC([NH2+]CC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000552337644 1039211296 /nfs/dbraw/zinc/21/12/96/1039211296.db2.gz XPYUFQNEWPMFOK-UHFFFAOYSA-N 1 2 338.776 3.751 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[C@@H](C)C3)cn2c1 ZINC000500709157 1039241364 /nfs/dbraw/zinc/24/13/64/1039241364.db2.gz AUEGLKRGEHRSEX-ZBFHGGJFSA-N 1 2 345.512 3.818 20 0 EHADLO CCn1cc(CCOc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000419007798 1039247067 /nfs/dbraw/zinc/24/70/67/1039247067.db2.gz KJXHEGWFPJIOBX-UHFFFAOYSA-N 1 2 336.439 3.724 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000488520709 1039255921 /nfs/dbraw/zinc/25/59/21/1039255921.db2.gz KUVGMNLLQRVZBN-FQEVSTJZSA-N 1 2 344.405 3.664 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(F)c(F)c1 ZINC000488520709 1039255935 /nfs/dbraw/zinc/25/59/35/1039255935.db2.gz KUVGMNLLQRVZBN-FQEVSTJZSA-N 1 2 344.405 3.664 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3c(Cl)cccc3OC)c1)O[C@H](C)C2 ZINC000480304776 1039414279 /nfs/dbraw/zinc/41/42/79/1039414279.db2.gz KJOPADNIYBZEIH-GFCCVEGCSA-N 1 2 347.842 3.970 20 0 EHADLO Cc1nc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2o1 ZINC000431922266 1039418110 /nfs/dbraw/zinc/41/81/10/1039418110.db2.gz IWLJNYSHQIQVMR-UHFFFAOYSA-N 1 2 346.390 3.562 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000552650354 1039419594 /nfs/dbraw/zinc/41/95/94/1039419594.db2.gz XRDMSISZQXDODE-INIZCTEOSA-N 1 2 345.487 3.782 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700716 1039449252 /nfs/dbraw/zinc/44/92/52/1039449252.db2.gz ZLKANCYAILDRIK-CHWSQXEVSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700716 1039449256 /nfs/dbraw/zinc/44/92/56/1039449256.db2.gz ZLKANCYAILDRIK-CHWSQXEVSA-N 1 2 325.733 3.757 20 0 EHADLO CC[N@H+](Cc1c(Br)cccc1C(=O)OC)C1CCC1 ZINC000432823888 1039456059 /nfs/dbraw/zinc/45/60/59/1039456059.db2.gz RLPOOYYYKGQIBM-UHFFFAOYSA-N 1 2 326.234 3.610 20 0 EHADLO CC[N@@H+](Cc1c(Br)cccc1C(=O)OC)C1CCC1 ZINC000432823888 1039456070 /nfs/dbraw/zinc/45/60/70/1039456070.db2.gz RLPOOYYYKGQIBM-UHFFFAOYSA-N 1 2 326.234 3.610 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1C ZINC000554541406 1039459193 /nfs/dbraw/zinc/45/91/93/1039459193.db2.gz AKHDWBKGTOUNBP-MRXNPFEDSA-N 1 2 349.438 3.826 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCCC12CCCCC2 ZINC000554543474 1039461797 /nfs/dbraw/zinc/46/17/97/1039461797.db2.gz IKMDGPPZYMVPQM-UHFFFAOYSA-N 1 2 339.443 3.657 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000554556791 1039470880 /nfs/dbraw/zinc/47/08/80/1039470880.db2.gz XZCVOVLOCUOXOC-YOEHRIQHSA-N 1 2 342.491 3.899 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)s2)cc1 ZINC000485729322 1039473978 /nfs/dbraw/zinc/47/39/78/1039473978.db2.gz OVYAYWMYKOAGMP-AWEZNQCLSA-N 1 2 345.512 3.854 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)s2)cc1 ZINC000485729322 1039473983 /nfs/dbraw/zinc/47/39/83/1039473983.db2.gz OVYAYWMYKOAGMP-AWEZNQCLSA-N 1 2 345.512 3.854 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c(C)[nH+]1 ZINC000906377154 1039500889 /nfs/dbraw/zinc/50/08/89/1039500889.db2.gz ADMVLTMNBNYDQT-UHFFFAOYSA-N 1 2 348.450 3.903 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485748511 1039510961 /nfs/dbraw/zinc/51/09/61/1039510961.db2.gz FPOVQXNTUZSVIL-RZAIGCCYSA-N 1 2 338.442 3.899 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485748511 1039510969 /nfs/dbraw/zinc/51/09/69/1039510969.db2.gz FPOVQXNTUZSVIL-RZAIGCCYSA-N 1 2 338.442 3.899 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@]2(C)CCCc3ccccc32)n1 ZINC000432836823 1039515064 /nfs/dbraw/zinc/51/50/64/1039515064.db2.gz WRJZGIYIBYUHKV-MRXNPFEDSA-N 1 2 334.261 3.524 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000042979023 1039545238 /nfs/dbraw/zinc/54/52/38/1039545238.db2.gz AKFDWLXROIXFPC-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000042979023 1039545252 /nfs/dbraw/zinc/54/52/52/1039545252.db2.gz AKFDWLXROIXFPC-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOC(=O)c1csc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)n1 ZINC000432851369 1039548089 /nfs/dbraw/zinc/54/80/89/1039548089.db2.gz JULAADZLCZQKFZ-UHFFFAOYSA-N 1 2 340.395 3.623 20 0 EHADLO C[C@@H](c1cccc(N=c2[nH]c3c(cccc3F)o2)c1)[NH+]1CCOCC1 ZINC000485851980 1039602994 /nfs/dbraw/zinc/60/29/94/1039602994.db2.gz WMFWOVYOXUNHCQ-ZDUSSCGKSA-N 1 2 341.386 3.526 20 0 EHADLO Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c[nH+]1 ZINC000448540488 1039612087 /nfs/dbraw/zinc/61/20/87/1039612087.db2.gz ATEQWXBJKYOWCP-UHFFFAOYSA-N 1 2 334.379 3.608 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)s1 ZINC000667682837 1039614930 /nfs/dbraw/zinc/61/49/30/1039614930.db2.gz YTKGXLQGMHEAKC-CQSZACIVSA-N 1 2 334.485 3.751 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)s1 ZINC000667682837 1039614937 /nfs/dbraw/zinc/61/49/37/1039614937.db2.gz YTKGXLQGMHEAKC-CQSZACIVSA-N 1 2 334.485 3.751 20 0 EHADLO c1nnc([C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)C2CCCCC2)[nH]1 ZINC000906526206 1039615461 /nfs/dbraw/zinc/61/54/61/1039615461.db2.gz RXYBINYOTXOQEA-GOSISDBHSA-N 1 2 337.427 3.871 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2c(C(F)(F)F)cnn2C)c1 ZINC000667688765 1039652692 /nfs/dbraw/zinc/65/26/92/1039652692.db2.gz CXHFPRCSILWAIG-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2c(C(F)(F)F)cnn2C)c1 ZINC000667688765 1039652707 /nfs/dbraw/zinc/65/27/07/1039652707.db2.gz CXHFPRCSILWAIG-UHFFFAOYSA-N 1 2 341.377 3.858 20 0 EHADLO Cc1ccc(CC[N@@H+]2CCC[C@H]2c2ncc(Br)cn2)cc1 ZINC000932258604 1039672942 /nfs/dbraw/zinc/67/29/42/1039672942.db2.gz PYNNNDRZMGRTBR-INIZCTEOSA-N 1 2 346.272 3.927 20 0 EHADLO Cc1ccc(CC[N@H+]2CCC[C@H]2c2ncc(Br)cn2)cc1 ZINC000932258604 1039672947 /nfs/dbraw/zinc/67/29/47/1039672947.db2.gz PYNNNDRZMGRTBR-INIZCTEOSA-N 1 2 346.272 3.927 20 0 EHADLO COc1cc(NC(=O)CNc2cccc[nH+]2)c(C2CC2)cc1Cl ZINC000912072570 1039678099 /nfs/dbraw/zinc/67/80/99/1039678099.db2.gz OYVGKULNLPFXIL-UHFFFAOYSA-N 1 2 331.803 3.672 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001143537737 1039714690 /nfs/dbraw/zinc/71/46/90/1039714690.db2.gz AMKINKYHILDTEB-UHFFFAOYSA-N 1 2 325.252 3.955 20 0 EHADLO CCC(=O)Nc1cccc(C[NH2+]Cc2ncc(CSC)s2)c1 ZINC000549709494 1039716617 /nfs/dbraw/zinc/71/66/17/1039716617.db2.gz HBRBJTRMWPXJQF-UHFFFAOYSA-N 1 2 335.498 3.644 20 0 EHADLO Cn1nc2c(c1C[N@@H+](C)Cc1ccc(Cl)s1)CSCC2 ZINC000893905558 1039803642 /nfs/dbraw/zinc/80/36/42/1039803642.db2.gz OVCSQVGLANEGFM-UHFFFAOYSA-N 1 2 327.906 3.556 20 0 EHADLO Cn1nc2c(c1C[N@H+](C)Cc1ccc(Cl)s1)CSCC2 ZINC000893905558 1039803620 /nfs/dbraw/zinc/80/36/20/1039803620.db2.gz OVCSQVGLANEGFM-UHFFFAOYSA-N 1 2 327.906 3.556 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000554839502 1039814981 /nfs/dbraw/zinc/81/49/81/1039814981.db2.gz PHELNSSVKSXCKG-AWEZNQCLSA-N 1 2 330.453 3.698 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000554839502 1039815001 /nfs/dbraw/zinc/81/50/01/1039815001.db2.gz PHELNSSVKSXCKG-AWEZNQCLSA-N 1 2 330.453 3.698 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Cl)nc2)[nH]c1C(C)C ZINC000893918785 1039825967 /nfs/dbraw/zinc/82/59/67/1039825967.db2.gz GENDTCFFGZUSQK-UHFFFAOYSA-N 1 2 335.835 3.605 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)[nH]c1C(C)C ZINC000893918785 1039825992 /nfs/dbraw/zinc/82/59/92/1039825992.db2.gz GENDTCFFGZUSQK-UHFFFAOYSA-N 1 2 335.835 3.605 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000554866865 1039854311 /nfs/dbraw/zinc/85/43/11/1039854311.db2.gz MQJAZJCBBVJXIH-LLBKUYECSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000554866865 1039854328 /nfs/dbraw/zinc/85/43/28/1039854328.db2.gz MQJAZJCBBVJXIH-LLBKUYECSA-N 1 2 336.361 3.777 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c(C)[nH+]1 ZINC000906988798 1039869872 /nfs/dbraw/zinc/86/98/72/1039869872.db2.gz PXJSYNGLRGSHOR-CJNGLKHVSA-N 1 2 330.453 3.671 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001143545042 1039875616 /nfs/dbraw/zinc/87/56/16/1039875616.db2.gz PWQYDZTWBMFAKZ-HNNXBMFYSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001143545042 1039875641 /nfs/dbraw/zinc/87/56/41/1039875641.db2.gz PWQYDZTWBMFAKZ-HNNXBMFYSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001143545043 1039877676 /nfs/dbraw/zinc/87/76/76/1039877676.db2.gz PWQYDZTWBMFAKZ-OAHLLOKOSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001143545043 1039877705 /nfs/dbraw/zinc/87/77/05/1039877705.db2.gz PWQYDZTWBMFAKZ-OAHLLOKOSA-N 1 2 341.308 3.851 20 0 EHADLO Cc1noc2ncc(C[N@H+]3CCC[C@H]3c3nc4ccccc4n3C)cc12 ZINC000893968067 1039897894 /nfs/dbraw/zinc/89/78/94/1039897894.db2.gz WHVNESMOEALIQU-SFHVURJKSA-N 1 2 347.422 3.755 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4n3C)cc12 ZINC000893968067 1039897906 /nfs/dbraw/zinc/89/79/06/1039897906.db2.gz WHVNESMOEALIQU-SFHVURJKSA-N 1 2 347.422 3.755 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000417493476 1039902789 /nfs/dbraw/zinc/90/27/89/1039902789.db2.gz YTJFVYUQYNJNJW-CXAGYDPISA-N 1 2 346.406 3.536 20 0 EHADLO Cc1cc(N(C)Cc2nc(-c3cccs3)no2)nc(C(C)C)[nH+]1 ZINC000553241789 1039908459 /nfs/dbraw/zinc/90/84/59/1039908459.db2.gz UDKKDPZOWDVGKB-UHFFFAOYSA-N 1 2 329.429 3.656 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2occc21 ZINC000553269733 1039923249 /nfs/dbraw/zinc/92/32/49/1039923249.db2.gz JOUBDAHNWXSNRH-IAGOWNOFSA-N 1 2 335.407 3.719 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)CSCC2 ZINC000894025340 1039991617 /nfs/dbraw/zinc/99/16/17/1039991617.db2.gz CXKSGMAABMFHDO-QGZVFWFLSA-N 1 2 349.450 3.825 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)CSCC2 ZINC000894025340 1039991639 /nfs/dbraw/zinc/99/16/39/1039991639.db2.gz CXKSGMAABMFHDO-QGZVFWFLSA-N 1 2 349.450 3.825 20 0 EHADLO Cc1ccc(CC2C[NH+](Cc3cncc(Br)c3)C2)cc1 ZINC000668608222 1040072076 /nfs/dbraw/zinc/07/20/76/1040072076.db2.gz NUQDVZSGGBTAIZ-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c[nH+]1 ZINC000899142643 1040073752 /nfs/dbraw/zinc/07/37/52/1040073752.db2.gz ATGUPNUEDFPRPQ-INIZCTEOSA-N 1 2 331.847 3.774 20 0 EHADLO Cc1ccc(-n2ncc(NC(=O)CNc3cccc[nH+]3)c2C(C)C)cc1 ZINC000907701317 1040133841 /nfs/dbraw/zinc/13/38/41/1040133841.db2.gz UEMTUERMJCDIPJ-UHFFFAOYSA-N 1 2 349.438 3.750 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)nn1 ZINC000924860828 1040136082 /nfs/dbraw/zinc/13/60/82/1040136082.db2.gz HFKYAFUZUFKMMJ-SNVBAGLBSA-N 1 2 341.228 3.611 20 0 EHADLO CCC[C@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(=O)OC ZINC000432911106 1040155325 /nfs/dbraw/zinc/15/53/25/1040155325.db2.gz HIHGILCFUHHLPD-ZALBZXLWSA-N 1 2 340.261 3.626 20 0 EHADLO O=C(NCc1ccccc1)[C@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000480919482 1040168645 /nfs/dbraw/zinc/16/86/45/1040168645.db2.gz XVHLOXLQNRVOEI-OAQYLSRUSA-N 1 2 348.421 3.973 20 0 EHADLO CC1(C)CN(c2cc[nH+]c3c(Cl)cccc23)C[C@]2(CCOC2)O1 ZINC000553562041 1040182289 /nfs/dbraw/zinc/18/22/89/1040182289.db2.gz JMVWUGFZFZQDHT-SFHVURJKSA-N 1 2 332.831 3.663 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccco1 ZINC000907816706 1040184841 /nfs/dbraw/zinc/18/48/41/1040184841.db2.gz XFURFNLGVSJALC-UKRRQHHQSA-N 1 2 341.455 3.828 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccco1 ZINC000907816706 1040184854 /nfs/dbraw/zinc/18/48/54/1040184854.db2.gz XFURFNLGVSJALC-UKRRQHHQSA-N 1 2 341.455 3.828 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899218349 1040188476 /nfs/dbraw/zinc/18/84/76/1040188476.db2.gz AYLWOUGLMIGCOX-DBXWQHBBSA-N 1 2 337.467 3.917 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899218349 1040188486 /nfs/dbraw/zinc/18/84/86/1040188486.db2.gz AYLWOUGLMIGCOX-DBXWQHBBSA-N 1 2 337.467 3.917 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899229775 1040193960 /nfs/dbraw/zinc/19/39/60/1040193960.db2.gz VHDKJRHQASYHTH-NQBHXWOUSA-N 1 2 327.281 3.725 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899229775 1040193967 /nfs/dbraw/zinc/19/39/67/1040193967.db2.gz VHDKJRHQASYHTH-NQBHXWOUSA-N 1 2 327.281 3.725 20 0 EHADLO CC(C)(C)c1nsc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000489892751 1040225381 /nfs/dbraw/zinc/22/53/81/1040225381.db2.gz AQRPDAKDEVYNOK-UHFFFAOYSA-N 1 2 333.505 3.729 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000479428662 1040243802 /nfs/dbraw/zinc/24/38/02/1040243802.db2.gz RQMOMFNQZDNLQH-INIZCTEOSA-N 1 2 325.456 3.612 20 0 EHADLO Cc1cccc(CCCNc2ncc(C)c(-c3ccccc3F)n2)[nH+]1 ZINC000555208347 1040276499 /nfs/dbraw/zinc/27/64/99/1040276499.db2.gz OXDQBKLTROJCEK-UHFFFAOYSA-N 1 2 336.414 3.761 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1nc(C(F)(F)F)cs1 ZINC000894100950 1040316640 /nfs/dbraw/zinc/31/66/40/1040316640.db2.gz MEZJXAHRUKXWBV-SSDOTTSWSA-N 1 2 332.376 3.722 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1ccsc1 ZINC000152909130 1040326329 /nfs/dbraw/zinc/32/63/29/1040326329.db2.gz QNCRZEXOJPFACX-LLVKDONJSA-N 1 2 331.466 3.817 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1ccsc1 ZINC000152909130 1040326345 /nfs/dbraw/zinc/32/63/45/1040326345.db2.gz QNCRZEXOJPFACX-LLVKDONJSA-N 1 2 331.466 3.817 20 0 EHADLO NC(=[NH+]OCc1cc(F)cc2cccnc21)c1ccc(Cl)cc1 ZINC000031609433 1040334845 /nfs/dbraw/zinc/33/48/45/1040334845.db2.gz JJIQQZKVPBEJBS-UHFFFAOYSA-N 1 2 329.762 3.864 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000152137091 1040336817 /nfs/dbraw/zinc/33/68/17/1040336817.db2.gz FVFKGSNILPLCDQ-UZLBHIALSA-N 1 2 349.434 3.512 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)n2c1 ZINC000668672907 1040388944 /nfs/dbraw/zinc/38/89/44/1040388944.db2.gz CUSLMHNFRUEKLY-IBGZPJMESA-N 1 2 337.423 3.589 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)n2c1 ZINC000668672907 1040388956 /nfs/dbraw/zinc/38/89/56/1040388956.db2.gz CUSLMHNFRUEKLY-IBGZPJMESA-N 1 2 337.423 3.589 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CC4(CCOCC4)[C@@H]3c3ccco3)n2c1 ZINC000668672907 1040388967 /nfs/dbraw/zinc/38/89/67/1040388967.db2.gz CUSLMHNFRUEKLY-IBGZPJMESA-N 1 2 337.423 3.589 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000651461413 1040399816 /nfs/dbraw/zinc/39/98/16/1040399816.db2.gz WHAYZRWNLDEQFZ-FQEVSTJZSA-N 1 2 339.483 3.974 20 0 EHADLO CCn1c[nH+]cc1CN1CCc2c(Br)cccc2[C@@H]1C ZINC000417991124 1040416213 /nfs/dbraw/zinc/41/62/13/1040416213.db2.gz RSPRKIUPQOXLGH-LBPRGKRZSA-N 1 2 334.261 3.785 20 0 EHADLO COc1cc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)ccc1F ZINC000555340004 1040435057 /nfs/dbraw/zinc/43/50/57/1040435057.db2.gz SIWYGJSQXNGTKZ-UHFFFAOYSA-N 1 2 340.851 3.871 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000908455373 1040474372 /nfs/dbraw/zinc/47/43/72/1040474372.db2.gz URTYZTRSHPHFJS-QMMMGPOBSA-N 1 2 347.724 3.779 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000908455373 1040474381 /nfs/dbraw/zinc/47/43/81/1040474381.db2.gz URTYZTRSHPHFJS-QMMMGPOBSA-N 1 2 347.724 3.779 20 0 EHADLO O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490304095 1040488383 /nfs/dbraw/zinc/48/83/83/1040488383.db2.gz ZOJHZRGRHKNOAT-UHFFFAOYSA-N 1 2 346.390 3.502 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000667841993 1040522127 /nfs/dbraw/zinc/52/21/27/1040522127.db2.gz SQLSLGSNONNOHS-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1cccc(F)c1 ZINC000553877929 1040532697 /nfs/dbraw/zinc/53/26/97/1040532697.db2.gz BTNNAXCWMLTYDT-HNNXBMFYSA-N 1 2 349.274 3.946 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000512700990 1040567693 /nfs/dbraw/zinc/56/76/93/1040567693.db2.gz GOKIYTQFGDMHSJ-VBSBHUPXSA-N 1 2 349.478 3.606 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnc(C2CC2)o1 ZINC000651470740 1040594461 /nfs/dbraw/zinc/59/44/61/1040594461.db2.gz JWAZMIOKCRKYTL-AWEZNQCLSA-N 1 2 349.228 3.928 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCOc4ccc(O)cc4C3)cc2s1 ZINC000668723648 1040644627 /nfs/dbraw/zinc/64/46/27/1040644627.db2.gz ALCNQQBSRSKZPW-UHFFFAOYSA-N 1 2 326.421 3.705 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCOc4ccc(O)cc4C3)cc2s1 ZINC000668723648 1040644631 /nfs/dbraw/zinc/64/46/31/1040644631.db2.gz ALCNQQBSRSKZPW-UHFFFAOYSA-N 1 2 326.421 3.705 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2Cl)C(C)C)on1 ZINC000500170233 1040657042 /nfs/dbraw/zinc/65/70/42/1040657042.db2.gz GZRRMPGOSHITEW-QGZVFWFLSA-N 1 2 335.835 3.904 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2Cl)C(C)C)on1 ZINC000500170233 1040657047 /nfs/dbraw/zinc/65/70/47/1040657047.db2.gz GZRRMPGOSHITEW-QGZVFWFLSA-N 1 2 335.835 3.904 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2Cl)C(C)C)on1 ZINC000500170232 1040658929 /nfs/dbraw/zinc/65/89/29/1040658929.db2.gz GZRRMPGOSHITEW-KRWDZBQOSA-N 1 2 335.835 3.904 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](c2ccccc2Cl)C(C)C)on1 ZINC000500170232 1040658936 /nfs/dbraw/zinc/65/89/36/1040658936.db2.gz GZRRMPGOSHITEW-KRWDZBQOSA-N 1 2 335.835 3.904 20 0 EHADLO Cc1sc2nc(C[NH+]3CCCC3)nc(S[C@@H]3CCOC3)c2c1C ZINC000487064623 1040675001 /nfs/dbraw/zinc/67/50/01/1040675001.db2.gz VNMBAAGFLBHAQZ-CYBMUJFWSA-N 1 2 349.525 3.785 20 0 EHADLO C[C@H](CC(=O)N(C)Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000614230159 1040755947 /nfs/dbraw/zinc/75/59/47/1040755947.db2.gz XWKOLRMHSBMHBQ-LLVKDONJSA-N 1 2 326.227 3.800 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1Br ZINC000487186035 1040759069 /nfs/dbraw/zinc/75/90/69/1040759069.db2.gz KHJPYIZSBBLDOB-SNVBAGLBSA-N 1 2 334.217 3.539 20 0 EHADLO Cc1ncc(C[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC000600172357 1040760432 /nfs/dbraw/zinc/76/04/32/1040760432.db2.gz AHIYENWIJAXXBY-IAGOWNOFSA-N 1 2 328.412 3.643 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+]([C@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000668769921 1040863242 /nfs/dbraw/zinc/86/32/42/1040863242.db2.gz KICJMRALOHBPCW-UWJYYQICSA-N 1 2 338.499 3.902 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+]([C@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000668769921 1040863247 /nfs/dbraw/zinc/86/32/47/1040863247.db2.gz KICJMRALOHBPCW-UWJYYQICSA-N 1 2 338.499 3.902 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+]([C@@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000668769920 1040863778 /nfs/dbraw/zinc/86/37/78/1040863778.db2.gz KICJMRALOHBPCW-UTKZUKDTSA-N 1 2 338.499 3.902 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+]([C@@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000668769920 1040863788 /nfs/dbraw/zinc/86/37/88/1040863788.db2.gz KICJMRALOHBPCW-UTKZUKDTSA-N 1 2 338.499 3.902 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1Cl ZINC000555583183 1040876412 /nfs/dbraw/zinc/87/64/12/1040876412.db2.gz UKYRPCIJZFQTNO-ZDUSSCGKSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1Cl ZINC000555583183 1040876432 /nfs/dbraw/zinc/87/64/32/1040876432.db2.gz UKYRPCIJZFQTNO-ZDUSSCGKSA-N 1 2 332.806 3.907 20 0 EHADLO COC(=O)C[N@H+](Cc1c(Cl)ccc2cccnc21)C1CCCC1 ZINC000512769408 1040883354 /nfs/dbraw/zinc/88/33/54/1040883354.db2.gz UDNUCZZWIDTUPJ-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)C[N@@H+](Cc1c(Cl)ccc2cccnc21)C1CCCC1 ZINC000512769408 1040883369 /nfs/dbraw/zinc/88/33/69/1040883369.db2.gz UDNUCZZWIDTUPJ-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(N(C)C(=O)OCC)CC2)cs1 ZINC000491075271 1040886616 /nfs/dbraw/zinc/88/66/16/1040886616.db2.gz HAWPWUXMFOMAKQ-UHFFFAOYSA-N 1 2 339.505 3.538 20 0 EHADLO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000192746821 1040897130 /nfs/dbraw/zinc/89/71/30/1040897130.db2.gz SLHHKHINXZCXSM-KEYYUXOJSA-N 1 2 327.428 3.766 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC(Cc4ccccc4Cl)C3)ccn12 ZINC000569824204 1040897763 /nfs/dbraw/zinc/89/77/63/1040897763.db2.gz RTNAXLNLUWSHQQ-UHFFFAOYSA-N 1 2 339.826 3.611 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000491150583 1040944272 /nfs/dbraw/zinc/94/42/72/1040944272.db2.gz VYGRTTBVQUZHEO-GXTWGEPZSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000491150583 1040944283 /nfs/dbraw/zinc/94/42/83/1040944283.db2.gz VYGRTTBVQUZHEO-GXTWGEPZSA-N 1 2 349.272 3.997 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3ccc(C(C)C)cc3)[nH+]c12 ZINC000586668949 1040979230 /nfs/dbraw/zinc/97/92/30/1040979230.db2.gz FRGJOWLFDUYJRX-UHFFFAOYSA-N 1 2 335.451 3.668 20 0 EHADLO CC1(C)C[C@H](C(=O)OCc2cccc3[nH+]ccn32)c2ccccc2O1 ZINC000842324090 1040989373 /nfs/dbraw/zinc/98/93/73/1040989373.db2.gz ZUMQAONFEDKGKO-INIZCTEOSA-N 1 2 336.391 3.722 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC=C(c4ccc(F)cc4)CC3)[nH+]c12 ZINC000586720648 1040989922 /nfs/dbraw/zinc/98/99/22/1040989922.db2.gz GGVUYIPABWMMIM-UHFFFAOYSA-N 1 2 349.409 3.640 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3ccccc3F)[nH+]c12 ZINC000586750046 1040995510 /nfs/dbraw/zinc/99/55/10/1040995510.db2.gz XMZUBIPKXFUOSQ-CQSZACIVSA-N 1 2 325.387 3.544 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC3CCCCC3)C3CC3)[nH+]c12 ZINC000586753256 1040998371 /nfs/dbraw/zinc/99/83/71/1040998371.db2.gz VUNCVDQIPFHNTG-UHFFFAOYSA-N 1 2 325.456 3.757 20 0 EHADLO CC[C@H]1C[C@@]1([NH2+]Cc1nn(C)cc1Br)c1cccc(C)c1 ZINC000433189779 1041029891 /nfs/dbraw/zinc/02/98/91/1041029891.db2.gz DMYFERPKAGLICS-GUYCJALGSA-N 1 2 348.288 3.906 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000899736252 1041030817 /nfs/dbraw/zinc/03/08/17/1041030817.db2.gz YSFDOBNTHQTOEY-CQSZACIVSA-N 1 2 342.393 3.764 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487698171 1041054817 /nfs/dbraw/zinc/05/48/17/1041054817.db2.gz SXPKVUSLZRWKHV-AEFFLSMTSA-N 1 2 340.471 3.983 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842321 1041088364 /nfs/dbraw/zinc/08/83/64/1041088364.db2.gz BRCUFRKXDWMIHL-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842321 1041088377 /nfs/dbraw/zinc/08/83/77/1041088377.db2.gz BRCUFRKXDWMIHL-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)c1cccs1 ZINC000481587192 1041103160 /nfs/dbraw/zinc/10/31/60/1041103160.db2.gz JYXAWEJIZVCYFT-INIZCTEOSA-N 1 2 331.481 3.708 20 0 EHADLO O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487773137 1041105816 /nfs/dbraw/zinc/10/58/16/1041105816.db2.gz WSUUKMMLJNZFNP-RBUKOAKNSA-N 1 2 346.434 3.724 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000051992289 1041107307 /nfs/dbraw/zinc/10/73/07/1041107307.db2.gz WQUXVYMMCLRBOH-HNNXBMFYSA-N 1 2 329.444 3.853 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc2ccccc21 ZINC000051992684 1041121010 /nfs/dbraw/zinc/12/10/10/1041121010.db2.gz DDSSQJNECYJPGY-UHFFFAOYSA-N 1 2 339.460 3.746 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc2ccccc21 ZINC000051992684 1041121017 /nfs/dbraw/zinc/12/10/17/1041121017.db2.gz DDSSQJNECYJPGY-UHFFFAOYSA-N 1 2 339.460 3.746 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(Cl)s1 ZINC000487794520 1041122324 /nfs/dbraw/zinc/12/23/24/1041122324.db2.gz QDZFUDIZWBWLOO-JHJVBQTASA-N 1 2 349.887 3.746 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000481595493 1041124023 /nfs/dbraw/zinc/12/40/23/1041124023.db2.gz OWHVGBKHGXCKBX-QYZOEREBSA-N 1 2 347.499 3.510 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000509824932 1041126717 /nfs/dbraw/zinc/12/67/17/1041126717.db2.gz AZVYEINCNSZVEP-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000509824932 1041126720 /nfs/dbraw/zinc/12/67/20/1041126720.db2.gz AZVYEINCNSZVEP-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852844 1041157358 /nfs/dbraw/zinc/15/73/58/1041157358.db2.gz KSUIXUZNRZRNPM-GJZGRUSLSA-N 1 2 341.835 3.648 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852844 1041157365 /nfs/dbraw/zinc/15/73/65/1041157365.db2.gz KSUIXUZNRZRNPM-GJZGRUSLSA-N 1 2 341.835 3.648 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)c(F)c1 ZINC000487950813 1041198849 /nfs/dbraw/zinc/19/88/49/1041198849.db2.gz QSPDKBNSXUVJFD-GOSISDBHSA-N 1 2 328.366 3.816 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)c(F)c1 ZINC000487950813 1041198857 /nfs/dbraw/zinc/19/88/57/1041198857.db2.gz QSPDKBNSXUVJFD-GOSISDBHSA-N 1 2 328.366 3.816 20 0 EHADLO CCC[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000600429065 1041205432 /nfs/dbraw/zinc/20/54/32/1041205432.db2.gz OZCUXOUQFATGQI-CABCVRRESA-N 1 2 338.442 3.872 20 0 EHADLO CCC[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000600429065 1041205442 /nfs/dbraw/zinc/20/54/42/1041205442.db2.gz OZCUXOUQFATGQI-CABCVRRESA-N 1 2 338.442 3.872 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cs1 ZINC000120808808 1041249518 /nfs/dbraw/zinc/24/95/18/1041249518.db2.gz MVTRFSXMKAGHGC-GFCCVEGCSA-N 1 2 335.448 3.814 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@@]1=O ZINC000759873068 1041259619 /nfs/dbraw/zinc/25/96/19/1041259619.db2.gz ACYPOSCGOYPTON-FIKIJFGZSA-N 1 2 337.432 3.641 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@@]1=O ZINC000759873068 1041259630 /nfs/dbraw/zinc/25/96/30/1041259630.db2.gz ACYPOSCGOYPTON-FIKIJFGZSA-N 1 2 337.432 3.641 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433319549 1041274070 /nfs/dbraw/zinc/27/40/70/1041274070.db2.gz REKNMGDSBPDCED-NSHDSACASA-N 1 2 328.359 3.948 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000571369675 1041294491 /nfs/dbraw/zinc/29/44/91/1041294491.db2.gz YGBLLPGCNYYXHU-OAHLLOKOSA-N 1 2 342.748 3.999 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1nc(C(F)(F)F)cs1 ZINC000433333494 1041297362 /nfs/dbraw/zinc/29/73/62/1041297362.db2.gz DTQWTLBKBJUYKC-MRVPVSSYSA-N 1 2 342.346 3.996 20 0 EHADLO C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000660438663 1041368490 /nfs/dbraw/zinc/36/84/90/1041368490.db2.gz VKNZHGSRBYEYNJ-INIZCTEOSA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)=CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000642253340 1041371700 /nfs/dbraw/zinc/37/17/00/1041371700.db2.gz CUOPHEVYMYQDJE-UHFFFAOYSA-N 1 2 327.255 3.717 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)n(C(C)(C)C)n1 ZINC000500417677 1041408053 /nfs/dbraw/zinc/40/80/53/1041408053.db2.gz AFMZKBOJSQRDRC-AWEZNQCLSA-N 1 2 346.450 3.717 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)n(C(C)(C)C)n1 ZINC000500417677 1041408060 /nfs/dbraw/zinc/40/80/60/1041408060.db2.gz AFMZKBOJSQRDRC-AWEZNQCLSA-N 1 2 346.450 3.717 20 0 EHADLO Fc1c(Cl)ccc(Br)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000894147727 1041434697 /nfs/dbraw/zinc/43/46/97/1041434697.db2.gz CXEDHGONNHQELS-VIFPVBQESA-N 1 2 348.643 3.710 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000613750446 1041565212 /nfs/dbraw/zinc/56/52/12/1041565212.db2.gz MRVQVPUTMGRJAK-AWEZNQCLSA-N 1 2 337.423 3.646 20 0 EHADLO C[C@@H]1CC[C@H](Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000468820258 1041640579 /nfs/dbraw/zinc/64/05/79/1041640579.db2.gz DSQCSCZSAURGHM-CVEARBPZSA-N 1 2 341.455 3.548 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)NC4CCCC4)cc3)c[nH+]c12 ZINC000195103082 1041696140 /nfs/dbraw/zinc/69/61/40/1041696140.db2.gz VAAJVHQYRGWORO-UHFFFAOYSA-N 1 2 348.450 3.927 20 0 EHADLO Brc1ccc2c(c1)[C@H](N1CCn3c[nH+]cc3C1)CCC2 ZINC000660581372 1041702382 /nfs/dbraw/zinc/70/23/82/1041702382.db2.gz BWCCYBQWRWKDHQ-MRXNPFEDSA-N 1 2 332.245 3.539 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629657 1041738491 /nfs/dbraw/zinc/73/84/91/1041738491.db2.gz FCELMCJWEGDNRP-KGLIPLIRSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629657 1041738498 /nfs/dbraw/zinc/73/84/98/1041738498.db2.gz FCELMCJWEGDNRP-KGLIPLIRSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000660707352 1041785165 /nfs/dbraw/zinc/78/51/65/1041785165.db2.gz GEJULENTOPBISA-WBMJQRKESA-N 1 2 337.851 3.752 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000660707352 1041785167 /nfs/dbraw/zinc/78/51/67/1041785167.db2.gz GEJULENTOPBISA-WBMJQRKESA-N 1 2 337.851 3.752 20 0 EHADLO O=C(C[NH+]1CCC(c2ccco2)CC1)Nc1nc2ccccc2s1 ZINC000661162901 1041976639 /nfs/dbraw/zinc/97/66/39/1041976639.db2.gz XXHHPPKYVWOBGL-UHFFFAOYSA-N 1 2 341.436 3.707 20 0 EHADLO O=c1cc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc(C2CC2)[nH]1 ZINC000661434675 1042121839 /nfs/dbraw/zinc/12/18/39/1042121839.db2.gz LVLNVMPANSQSLV-QGZVFWFLSA-N 1 2 325.412 3.770 20 0 EHADLO O=c1cc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc(C2CC2)[nH]1 ZINC000661434675 1042121840 /nfs/dbraw/zinc/12/18/40/1042121840.db2.gz LVLNVMPANSQSLV-QGZVFWFLSA-N 1 2 325.412 3.770 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)c(F)c1 ZINC000164395705 1042170304 /nfs/dbraw/zinc/17/03/04/1042170304.db2.gz OKWUWWDZWVCFSU-LBPRGKRZSA-N 1 2 349.402 3.711 20 0 EHADLO Cc1ccc(Nc2cc(I)c(C)cn2)c(C)[nH+]1 ZINC001203368306 1133536520 /nfs/dbraw/zinc/53/65/20/1133536520.db2.gz XPDVNFMFKARZOE-UHFFFAOYSA-N 1 2 339.180 3.750 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000661558587 1042187689 /nfs/dbraw/zinc/18/76/89/1042187689.db2.gz HYIGZEXIVICLIX-INIZCTEOSA-N 1 2 334.508 3.910 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000066889624 1042203934 /nfs/dbraw/zinc/20/39/34/1042203934.db2.gz DUTDNBLYVNJTNU-AWEZNQCLSA-N 1 2 340.452 3.803 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)CC[S@]1=O ZINC000473128708 1042239181 /nfs/dbraw/zinc/23/91/81/1042239181.db2.gz URPQRGPDUXQXQO-HSZRJFAPSA-N 1 2 332.513 3.908 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)CC[S@]1=O ZINC000473128708 1042239188 /nfs/dbraw/zinc/23/91/88/1042239188.db2.gz URPQRGPDUXQXQO-HSZRJFAPSA-N 1 2 332.513 3.908 20 0 EHADLO CC(C)[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1F ZINC000661670907 1042249143 /nfs/dbraw/zinc/24/91/43/1042249143.db2.gz YSBSQRLIBULPPW-GOSISDBHSA-N 1 2 340.402 3.670 20 0 EHADLO Fc1ccc2c(c1Cl)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000652173922 1042257596 /nfs/dbraw/zinc/25/75/96/1042257596.db2.gz BOJCEJPPDXYCPM-HNNXBMFYSA-N 1 2 347.821 3.810 20 0 EHADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1csc(Cl)c1Cl ZINC000432252854 1042431995 /nfs/dbraw/zinc/43/19/95/1042431995.db2.gz HPUXCQGIGWAYAQ-UHFFFAOYSA-N 1 2 334.272 3.649 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661957325 1042431200 /nfs/dbraw/zinc/43/12/00/1042431200.db2.gz CSSHYUFYSICGNG-UHFFFAOYSA-N 1 2 329.419 3.531 20 0 EHADLO CCc1nc(NC(=O)Cc2cn3c([nH+]2)CCCC3)sc1C(C)(C)C ZINC000652435315 1042475780 /nfs/dbraw/zinc/47/57/80/1042475780.db2.gz APZJHSVRSWDPSM-UHFFFAOYSA-N 1 2 346.500 3.717 20 0 EHADLO Cc1ccc(C2=CC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000053813298 1042559285 /nfs/dbraw/zinc/55/92/85/1042559285.db2.gz NLCGZDDHXFTBAO-UHFFFAOYSA-N 1 2 341.476 3.558 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000053813298 1042559288 /nfs/dbraw/zinc/55/92/88/1042559288.db2.gz NLCGZDDHXFTBAO-UHFFFAOYSA-N 1 2 341.476 3.558 20 0 EHADLO C[N@@H+](Cc1noc(Cc2ccccc2)n1)C[C@H]1CCc2ccccc21 ZINC000662198320 1042584691 /nfs/dbraw/zinc/58/46/91/1042584691.db2.gz HPMPUZKKKHYLTD-GOSISDBHSA-N 1 2 333.435 3.822 20 0 EHADLO C[N@H+](Cc1noc(Cc2ccccc2)n1)C[C@H]1CCc2ccccc21 ZINC000662198320 1042584693 /nfs/dbraw/zinc/58/46/93/1042584693.db2.gz HPMPUZKKKHYLTD-GOSISDBHSA-N 1 2 333.435 3.822 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000014914641 1042603003 /nfs/dbraw/zinc/60/30/03/1042603003.db2.gz OTUUYTCFKAMZQG-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000014914641 1042603008 /nfs/dbraw/zinc/60/30/08/1042603008.db2.gz OTUUYTCFKAMZQG-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2cccc3ccccc32)CC1 ZINC000058485722 1042610262 /nfs/dbraw/zinc/61/02/62/1042610262.db2.gz ZOPITKVKEKLAEX-INIZCTEOSA-N 1 2 342.508 3.626 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+](C/C=C/c1ccc(Cl)cc1)C2 ZINC000662236163 1042622598 /nfs/dbraw/zinc/62/25/98/1042622598.db2.gz DQDJJTQUQQHCLE-SNAWJCMRSA-N 1 2 330.863 3.758 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+](C/C=C/c1ccc(Cl)cc1)C2 ZINC000662236163 1042622601 /nfs/dbraw/zinc/62/26/01/1042622601.db2.gz DQDJJTQUQQHCLE-SNAWJCMRSA-N 1 2 330.863 3.758 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C12CCCCC2 ZINC000893558723 1042640859 /nfs/dbraw/zinc/64/08/59/1042640859.db2.gz DAPHNNSIPKKDPZ-KURKYZTESA-N 1 2 340.471 3.612 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000601930368 1042646951 /nfs/dbraw/zinc/64/69/51/1042646951.db2.gz HROMONLEQYGGCW-ZJUUUORDSA-N 1 2 342.317 3.892 20 0 EHADLO CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000165193367 1042658466 /nfs/dbraw/zinc/65/84/66/1042658466.db2.gz PVKQVFYYQYGXLA-UHFFFAOYSA-N 1 2 333.457 3.678 20 0 EHADLO CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000165193367 1042658470 /nfs/dbraw/zinc/65/84/70/1042658470.db2.gz PVKQVFYYQYGXLA-UHFFFAOYSA-N 1 2 333.457 3.678 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000383754180 1042681053 /nfs/dbraw/zinc/68/10/53/1042681053.db2.gz FKJYGVSJRPFCLP-UHFFFAOYSA-N 1 2 330.432 3.540 20 0 EHADLO COc1cccc(C(=O)c2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2)c1 ZINC000186853622 1042717730 /nfs/dbraw/zinc/71/77/30/1042717730.db2.gz HZLAOYBDIUEQIP-UHFFFAOYSA-N 1 2 346.386 3.882 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000662504890 1042765672 /nfs/dbraw/zinc/76/56/72/1042765672.db2.gz GZJHDMMIDMDDDN-HNNXBMFYSA-N 1 2 326.375 3.583 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000662504890 1042765676 /nfs/dbraw/zinc/76/56/76/1042765676.db2.gz GZJHDMMIDMDDDN-HNNXBMFYSA-N 1 2 326.375 3.583 20 0 EHADLO CCCn1c(C)cc(C(=O)COc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000343902139 1042766436 /nfs/dbraw/zinc/76/64/36/1042766436.db2.gz SEBGTIUTGXDDTB-UHFFFAOYSA-N 1 2 337.423 3.962 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000066563881 1042769748 /nfs/dbraw/zinc/76/97/48/1042769748.db2.gz KVTKCQUWIBFZQK-INIZCTEOSA-N 1 2 345.512 3.709 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000066563881 1042769753 /nfs/dbraw/zinc/76/97/53/1042769753.db2.gz KVTKCQUWIBFZQK-INIZCTEOSA-N 1 2 345.512 3.709 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000511977769 1042806125 /nfs/dbraw/zinc/80/61/25/1042806125.db2.gz JCVZUDMPKZRIAW-OAQYLSRUSA-N 1 2 348.446 3.709 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000511977769 1042806130 /nfs/dbraw/zinc/80/61/30/1042806130.db2.gz JCVZUDMPKZRIAW-OAQYLSRUSA-N 1 2 348.446 3.709 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000278889359 1042842697 /nfs/dbraw/zinc/84/26/97/1042842697.db2.gz UJIVYFVNYZOFRN-CYBMUJFWSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000278889359 1042842700 /nfs/dbraw/zinc/84/27/00/1042842700.db2.gz UJIVYFVNYZOFRN-CYBMUJFWSA-N 1 2 339.361 3.743 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Cl)c1F ZINC000066962945 1042884398 /nfs/dbraw/zinc/88/43/98/1042884398.db2.gz ALRIBCYQAJMKHX-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO O=C(c1ccc(F)c(F)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278911017 1042917120 /nfs/dbraw/zinc/91/71/20/1042917120.db2.gz HICHJMKDLIURHT-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO Cc1ccc(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000278951130 1043072192 /nfs/dbraw/zinc/07/21/92/1043072192.db2.gz MGXIITGPJBPDQP-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759969440 1043095095 /nfs/dbraw/zinc/09/50/95/1043095095.db2.gz JJRHLRWHCZMZGY-NSHDSACASA-N 1 2 339.336 3.521 20 0 EHADLO Cc1cc2cc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH]1 ZINC000344066635 1043192373 /nfs/dbraw/zinc/19/23/73/1043192373.db2.gz QMRWJJPOUKRGNA-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO Cc1cc2c(o1)c(C(=O)Nc1cc[nH+]c(C)c1)ccc2Br ZINC000344091520 1043229127 /nfs/dbraw/zinc/22/91/27/1043229127.db2.gz NSNHJHXVRMBMQS-UHFFFAOYSA-N 1 2 345.196 3.881 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000663664666 1043359911 /nfs/dbraw/zinc/35/99/11/1043359911.db2.gz YSFVGLSVGVJIRK-ORAYPTAESA-N 1 2 337.398 3.923 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344206419 1043439252 /nfs/dbraw/zinc/43/92/52/1043439252.db2.gz HAQDADSQPCCVNI-UHFFFAOYSA-N 1 2 325.437 3.985 20 0 EHADLO Cc1nc(NCCc2nc3ccccc3o2)c(Br)c(C)[nH+]1 ZINC000663673771 1043471621 /nfs/dbraw/zinc/47/16/21/1043471621.db2.gz CFRCWNZBPXNYMQ-UHFFFAOYSA-N 1 2 347.216 3.652 20 0 EHADLO CC(C)(C)c1cnc(CNc2cc(CSCCO)cc[nH+]2)s1 ZINC000279176528 1043513960 /nfs/dbraw/zinc/51/39/60/1043513960.db2.gz RJUUCHFWXPHRKO-UHFFFAOYSA-N 1 2 337.514 3.673 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344252428 1043520557 /nfs/dbraw/zinc/52/05/57/1043520557.db2.gz QEHYHDPUEDCXQR-OLZOCXBDSA-N 1 2 343.374 3.519 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344252428 1043520562 /nfs/dbraw/zinc/52/05/62/1043520562.db2.gz QEHYHDPUEDCXQR-OLZOCXBDSA-N 1 2 343.374 3.519 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(c1ccccc1)C(C)C)CCO2 ZINC000512178765 1043656568 /nfs/dbraw/zinc/65/65/68/1043656568.db2.gz KACVJFSVUMFDIL-UHFFFAOYSA-N 1 2 338.451 3.631 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(c1ccccc1)C(C)C)CCO2 ZINC000512178765 1043656573 /nfs/dbraw/zinc/65/65/73/1043656573.db2.gz KACVJFSVUMFDIL-UHFFFAOYSA-N 1 2 338.451 3.631 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(Br)c1)c1c(F)cccc1F ZINC000344323188 1043664292 /nfs/dbraw/zinc/66/42/92/1043664292.db2.gz ZEXHONMDGDPOME-CQSZACIVSA-N 1 2 342.183 3.551 20 0 EHADLO c1cc(-c2ccc(C[N@@H+]3CCC[C@H]3c3nc4c([nH]3)CCCC4)o2)n[nH]1 ZINC000279400363 1044037055 /nfs/dbraw/zinc/03/70/55/1044037055.db2.gz MNTXQROWVOHZRF-KRWDZBQOSA-N 1 2 337.427 3.609 20 0 EHADLO c1cc(-c2ccc(C[N@H+]3CCC[C@H]3c3nc4c([nH]3)CCCC4)o2)n[nH]1 ZINC000279400363 1044037067 /nfs/dbraw/zinc/03/70/67/1044037067.db2.gz MNTXQROWVOHZRF-KRWDZBQOSA-N 1 2 337.427 3.609 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000279458227 1044096515 /nfs/dbraw/zinc/09/65/15/1044096515.db2.gz IUTSLJSSRLSZQN-HNNXBMFYSA-N 1 2 349.276 3.695 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000279458227 1044096533 /nfs/dbraw/zinc/09/65/33/1044096533.db2.gz IUTSLJSSRLSZQN-HNNXBMFYSA-N 1 2 349.276 3.695 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc(F)ccc3F)n2)c1 ZINC000279462080 1044107590 /nfs/dbraw/zinc/10/75/90/1044107590.db2.gz JDJBZYUOWQLFCT-NEPJUHHUSA-N 1 2 343.381 3.865 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@H](C)c2nccs2)c1 ZINC000344580649 1044140775 /nfs/dbraw/zinc/14/07/75/1044140775.db2.gz CSRVPOVKYDHZJZ-AWEZNQCLSA-N 1 2 340.452 3.513 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000344578657 1044147139 /nfs/dbraw/zinc/14/71/39/1044147139.db2.gz ICSRPKYTJKXLMU-NLPFYKDJSA-N 1 2 345.483 3.960 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000344641921 1044218669 /nfs/dbraw/zinc/21/86/69/1044218669.db2.gz PZPZAVTWQYKKIF-UHFFFAOYSA-N 1 2 335.473 3.749 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(F)cc3cccnc32)cs1 ZINC000344703467 1044309750 /nfs/dbraw/zinc/30/97/50/1044309750.db2.gz UGDHKMCRVIMZHB-LLVKDONJSA-N 1 2 331.416 3.828 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccccc2OCC2CC2)cs1 ZINC000344715599 1044332884 /nfs/dbraw/zinc/33/28/84/1044332884.db2.gz YVJNIKHPCNWIBG-ZDUSSCGKSA-N 1 2 332.469 3.929 20 0 EHADLO O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279641914 1044354088 /nfs/dbraw/zinc/35/40/88/1044354088.db2.gz DBQQLOGWQUYAID-QGZVFWFLSA-N 1 2 342.418 3.515 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279648228 1044363378 /nfs/dbraw/zinc/36/33/78/1044363378.db2.gz BIXREQMVIMHJCL-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279648228 1044363389 /nfs/dbraw/zinc/36/33/89/1044363389.db2.gz BIXREQMVIMHJCL-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000344797222 1044431670 /nfs/dbraw/zinc/43/16/70/1044431670.db2.gz WCRANTPIUGDTEP-UHFFFAOYSA-N 1 2 349.525 3.926 20 0 EHADLO COc1c(Br)cc(F)cc1Nc1[nH+]cc(C)cc1N ZINC001211708203 1044477700 /nfs/dbraw/zinc/47/77/00/1044477700.db2.gz MPLCPSJBIGXBCE-UHFFFAOYSA-N 1 2 326.169 3.626 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000051287938 1044484679 /nfs/dbraw/zinc/48/46/79/1044484679.db2.gz KKJPRBUPGPPSRB-SFHVURJKSA-N 1 2 345.389 3.593 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H]1C ZINC000644875060 1044505004 /nfs/dbraw/zinc/50/50/04/1044505004.db2.gz FQGRDEQOSNZOHG-MXSMSXNCSA-N 1 2 325.456 3.873 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CC1CCCCC1 ZINC001167898803 1044715942 /nfs/dbraw/zinc/71/59/42/1044715942.db2.gz RWJWWUQSDMMBML-MRXNPFEDSA-N 1 2 329.362 3.830 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CC1CCCCC1 ZINC001167898803 1044715951 /nfs/dbraw/zinc/71/59/51/1044715951.db2.gz RWJWWUQSDMMBML-MRXNPFEDSA-N 1 2 329.362 3.830 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112784268 1044791655 /nfs/dbraw/zinc/79/16/55/1044791655.db2.gz KXVXUXYHYDLJCK-DLBZAZTESA-N 1 2 339.345 3.893 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112793145 1044807508 /nfs/dbraw/zinc/80/75/08/1044807508.db2.gz OKAAOCZMDKSZHG-IRXDYDNUSA-N 1 2 339.345 3.893 20 0 EHADLO CCC[C@H]([NH2+]Cc1ncc(Br)s1)c1cccnc1 ZINC000866621104 1137370484 /nfs/dbraw/zinc/37/04/84/1137370484.db2.gz YMHWWLORYOIFPK-NSHDSACASA-N 1 2 326.263 3.932 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235493 1125524802 /nfs/dbraw/zinc/52/48/02/1125524802.db2.gz VNSZRSVPPQCDCT-QGZVFWFLSA-N 1 2 340.467 3.612 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235493 1125524813 /nfs/dbraw/zinc/52/48/13/1125524813.db2.gz VNSZRSVPPQCDCT-QGZVFWFLSA-N 1 2 340.467 3.612 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153662389 1125644850 /nfs/dbraw/zinc/64/48/50/1125644850.db2.gz DTLWSYSVPJHREX-RBUKOAKNSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cn(-c2ccccc2)nn1 ZINC000154065018 1125689715 /nfs/dbraw/zinc/68/97/15/1125689715.db2.gz QWXLZQUDAOJQJA-OAHLLOKOSA-N 1 2 348.450 3.832 20 0 EHADLO Cc1conc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000154621484 1125737888 /nfs/dbraw/zinc/73/78/88/1125737888.db2.gz ONONQDPMTAVTSU-UHFFFAOYSA-N 1 2 335.407 3.624 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000154870404 1125762202 /nfs/dbraw/zinc/76/22/02/1125762202.db2.gz SLIPGLZVBGHQEW-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000154870404 1125762206 /nfs/dbraw/zinc/76/22/06/1125762206.db2.gz SLIPGLZVBGHQEW-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cn3cccnc3n2)c2ccccc2)cc1 ZINC000171941195 1126770823 /nfs/dbraw/zinc/77/08/23/1126770823.db2.gz QGGYELLOXBKSRV-IBGZPJMESA-N 1 2 332.382 3.748 20 0 EHADLO COCCC1CC[NH+](Cc2cc(F)cc(Br)c2F)CC1 ZINC001238078401 1126775934 /nfs/dbraw/zinc/77/59/34/1126775934.db2.gz ZNHLTYDXAXGPIJ-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1 ZINC000072607377 1126795936 /nfs/dbraw/zinc/79/59/36/1126795936.db2.gz HHILQCYYFNLNQN-UHFFFAOYSA-N 1 2 336.370 3.772 20 0 EHADLO CC[C@H](C[N@H+](CC)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000185213073 1126821582 /nfs/dbraw/zinc/82/15/82/1126821582.db2.gz VIMVFYGCBCKVIC-QGZVFWFLSA-N 1 2 335.451 3.870 20 0 EHADLO CC[C@H](C[N@@H+](CC)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000185213073 1126821585 /nfs/dbraw/zinc/82/15/85/1126821585.db2.gz VIMVFYGCBCKVIC-QGZVFWFLSA-N 1 2 335.451 3.870 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175252312 1126868512 /nfs/dbraw/zinc/86/85/12/1126868512.db2.gz UKNQUQGRZAGUBY-VXGBXAGGSA-N 1 2 335.498 3.851 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175252273 1126868814 /nfs/dbraw/zinc/86/88/14/1126868814.db2.gz UKNQUQGRZAGUBY-NWDGAFQWSA-N 1 2 335.498 3.851 20 0 EHADLO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2c[nH+]ccc21 ZINC000175316014 1126870188 /nfs/dbraw/zinc/87/01/88/1126870188.db2.gz JELDFLJKURWJIW-UHFFFAOYSA-N 1 2 336.416 3.500 20 0 EHADLO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1F ZINC000623232125 1126899495 /nfs/dbraw/zinc/89/94/95/1126899495.db2.gz VMOOYFXRJNTASZ-MSOLQXFVSA-N 1 2 330.378 3.719 20 0 EHADLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cnc2ccsc2c1 ZINC000623233656 1126900252 /nfs/dbraw/zinc/90/02/52/1126900252.db2.gz HJLNWXVRDBVFEU-KZULUSFZSA-N 1 2 337.448 3.660 20 0 EHADLO C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3CN(C)C2=O)c2ccsc2S1 ZINC000623234005 1126900507 /nfs/dbraw/zinc/90/05/07/1126900507.db2.gz ULBBVBQINRGBDS-UVBJJODRSA-N 1 2 344.505 3.976 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(Cc2cccs2)CCCCC1 ZINC000623300086 1126910628 /nfs/dbraw/zinc/91/06/28/1126910628.db2.gz JKWAPEWYUPUSSM-HNNXBMFYSA-N 1 2 343.496 3.569 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306360 1126911470 /nfs/dbraw/zinc/91/14/70/1126911470.db2.gz LMVKQNHCFVFSPO-OAHLLOKOSA-N 1 2 341.480 3.686 20 0 EHADLO CCOc1cc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c(F)cc1OC ZINC000623474768 1126963539 /nfs/dbraw/zinc/96/35/39/1126963539.db2.gz ORUDXYFQSNNSDI-SFHVURJKSA-N 1 2 344.430 3.509 20 0 EHADLO CCOc1cc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c(F)cc1OC ZINC000623474768 1126963543 /nfs/dbraw/zinc/96/35/43/1126963543.db2.gz ORUDXYFQSNNSDI-SFHVURJKSA-N 1 2 344.430 3.509 20 0 EHADLO CCOc1cc(C[NH2+]Cc2c(OC)cccc2OC)c(F)cc1OC ZINC000623564174 1126987171 /nfs/dbraw/zinc/98/71/71/1126987171.db2.gz UQPOHNFOGMLLMG-UHFFFAOYSA-N 1 2 349.402 3.540 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000177959727 1127003550 /nfs/dbraw/zinc/00/35/50/1127003550.db2.gz YPNVOKWVGYWZMB-MOPGFXCFSA-N 1 2 348.450 3.545 20 0 EHADLO FC1(F)C[C@]12CC[N@H+](Cc1c(Cl)cncc1Br)C2 ZINC001238390646 1127043665 /nfs/dbraw/zinc/04/36/65/1127043665.db2.gz CRBLYOPNBSAZLJ-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@]12CC[N@@H+](Cc1c(Cl)cncc1Br)C2 ZINC001238390646 1127043669 /nfs/dbraw/zinc/04/36/69/1127043669.db2.gz CRBLYOPNBSAZLJ-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccn3cc[nH+]c3c1)CCC2 ZINC000179482960 1127066895 /nfs/dbraw/zinc/06/68/95/1127066895.db2.gz KSKRUHNFSHDPFU-SFHVURJKSA-N 1 2 334.423 3.520 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc4c(c3)[C@@H](C)CC(=O)N4C)n2c1 ZINC000623791251 1127164051 /nfs/dbraw/zinc/16/40/51/1127164051.db2.gz DUQXPEXWUVYTNU-AWEZNQCLSA-N 1 2 334.423 3.725 20 0 EHADLO CCCc1csc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000180626454 1127177455 /nfs/dbraw/zinc/17/74/55/1127177455.db2.gz NDICWDAYVGVCEP-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO COc1ccccc1[C@@H](CN[C@H](C)c1nc(C)cs1)[NH+]1CCCC1 ZINC000623850288 1127197632 /nfs/dbraw/zinc/19/76/32/1127197632.db2.gz BQTJXTJKGUSATK-NVXWUHKLSA-N 1 2 345.512 3.948 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2cccs2)n1 ZINC000181335920 1127274146 /nfs/dbraw/zinc/27/41/46/1127274146.db2.gz HGOZTHVLNQRAOP-UKRRQHHQSA-N 1 2 343.452 3.912 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000181700748 1127290153 /nfs/dbraw/zinc/29/01/53/1127290153.db2.gz QBKDDDDKTZWLSJ-QGZVFWFLSA-N 1 2 328.460 3.807 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ncc(Cl)cc2Cl)cc1 ZINC000181983249 1127306413 /nfs/dbraw/zinc/30/64/13/1127306413.db2.gz UCYWXAAJDMBFSK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ncc(Cl)cc2Cl)cc1 ZINC000181983249 1127306416 /nfs/dbraw/zinc/30/64/16/1127306416.db2.gz UCYWXAAJDMBFSK-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000182051262 1127310083 /nfs/dbraw/zinc/31/00/83/1127310083.db2.gz FWEZGGINMOOQJZ-CXAGYDPISA-N 1 2 333.432 3.663 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000183199281 1127367339 /nfs/dbraw/zinc/36/73/39/1127367339.db2.gz UGQGQSJIIZWIKK-QVKFZJNVSA-N 1 2 343.279 3.598 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cs1 ZINC000184718203 1127411884 /nfs/dbraw/zinc/41/18/84/1127411884.db2.gz IKJHVOUYIIGJKD-AWEZNQCLSA-N 1 2 343.496 3.552 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000184775791 1127413339 /nfs/dbraw/zinc/41/33/39/1127413339.db2.gz ONMNOIKIJDJQFI-QAPCUYQASA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(c2ccccc2)C(C)C)o1 ZINC000184846714 1127414408 /nfs/dbraw/zinc/41/44/08/1127414408.db2.gz LEWRYSDXJGUMOY-GOSISDBHSA-N 1 2 344.455 3.561 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1nccs1 ZINC000185046622 1127418768 /nfs/dbraw/zinc/41/87/68/1127418768.db2.gz XTNQKJWALZWLPB-VIFPVBQESA-N 1 2 333.442 3.549 20 0 EHADLO C=Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000185260838 1127422895 /nfs/dbraw/zinc/42/28/95/1127422895.db2.gz NOXXWVRBWSVWSZ-UHFFFAOYSA-N 1 2 333.391 3.857 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1nccs1 ZINC000185100428 1127420868 /nfs/dbraw/zinc/42/08/68/1127420868.db2.gz DKFOJEKKKDLTDS-LLVKDONJSA-N 1 2 327.812 3.615 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000193195824 1127434416 /nfs/dbraw/zinc/43/44/16/1127434416.db2.gz MYPJGAJWFQYJRX-RDJZCZTQSA-N 1 2 340.389 3.528 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000193195824 1127434417 /nfs/dbraw/zinc/43/44/17/1127434417.db2.gz MYPJGAJWFQYJRX-RDJZCZTQSA-N 1 2 340.389 3.528 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)O[C@H](C)C2 ZINC000194234657 1127455221 /nfs/dbraw/zinc/45/52/21/1127455221.db2.gz BLPGWXPVKOWFHC-CQSZACIVSA-N 1 2 349.434 3.699 20 0 EHADLO C[C@H](N=c1nc(C(C)(C)C)[nH]s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383887856 1127561069 /nfs/dbraw/zinc/56/10/69/1127561069.db2.gz LEGAONSNOTTXNZ-HOCLYGCPSA-N 1 2 344.528 3.580 20 0 EHADLO C[C@H](N=c1nc(C(C)(C)C)[nH]s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383887856 1127561070 /nfs/dbraw/zinc/56/10/70/1127561070.db2.gz LEGAONSNOTTXNZ-HOCLYGCPSA-N 1 2 344.528 3.580 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000765026726 1127567031 /nfs/dbraw/zinc/56/70/31/1127567031.db2.gz RSOOQBFSOQUCKL-INDWDQIESA-N 1 2 335.275 3.638 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000765026726 1127567034 /nfs/dbraw/zinc/56/70/34/1127567034.db2.gz RSOOQBFSOQUCKL-INDWDQIESA-N 1 2 335.275 3.638 20 0 EHADLO Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(N(C)C)[nH+]1 ZINC000749987267 1127568182 /nfs/dbraw/zinc/56/81/82/1127568182.db2.gz OALFWTSFYCHLRO-UHFFFAOYSA-N 1 2 341.308 3.866 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C[C@H]1C ZINC000765047794 1127569307 /nfs/dbraw/zinc/56/93/07/1127569307.db2.gz BQNTYMKORVWHLL-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C[C@H]1C ZINC000765047794 1127569310 /nfs/dbraw/zinc/56/93/10/1127569310.db2.gz BQNTYMKORVWHLL-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000765076499 1127570535 /nfs/dbraw/zinc/57/05/35/1127570535.db2.gz YWDQOHCVMGOUJS-HNNXBMFYSA-N 1 2 345.516 3.871 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000765076499 1127570540 /nfs/dbraw/zinc/57/05/40/1127570540.db2.gz YWDQOHCVMGOUJS-HNNXBMFYSA-N 1 2 345.516 3.871 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000350682380 1127583317 /nfs/dbraw/zinc/58/33/17/1127583317.db2.gz PFTRJVXWJSLFNQ-MNOVXSKESA-N 1 2 341.308 3.929 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000765269468 1127590835 /nfs/dbraw/zinc/59/08/35/1127590835.db2.gz JBJOBIXNKYFAHJ-HUUCEWRRSA-N 1 2 337.533 3.819 20 0 EHADLO CCCCCCOCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765312990 1127595533 /nfs/dbraw/zinc/59/55/33/1127595533.db2.gz ADDGSFAZTBYXKL-INIZCTEOSA-N 1 2 338.517 3.550 20 0 EHADLO CCCNc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000765318600 1127598933 /nfs/dbraw/zinc/59/89/33/1127598933.db2.gz NTQZMVPRFFONND-UHFFFAOYSA-N 1 2 341.459 3.600 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000921524369 1127623640 /nfs/dbraw/zinc/62/36/40/1127623640.db2.gz MEYKJFQKVAQYQL-UHFFFAOYSA-N 1 2 334.851 3.632 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000014933298 1127649303 /nfs/dbraw/zinc/64/93/03/1127649303.db2.gz CABIZLLFMFTYJF-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000014933298 1127649305 /nfs/dbraw/zinc/64/93/05/1127649305.db2.gz CABIZLLFMFTYJF-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000015547359 1127655378 /nfs/dbraw/zinc/65/53/78/1127655378.db2.gz PYERNPRQYFNBEH-CQSZACIVSA-N 1 2 345.493 3.635 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000015547359 1127655380 /nfs/dbraw/zinc/65/53/80/1127655380.db2.gz PYERNPRQYFNBEH-CQSZACIVSA-N 1 2 345.493 3.635 20 0 EHADLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c(Br)c1 ZINC001137808490 1127701399 /nfs/dbraw/zinc/70/13/99/1127701399.db2.gz SAZIIDBFNOPXOZ-LBPRGKRZSA-N 1 2 330.266 3.787 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024754103 1127710898 /nfs/dbraw/zinc/71/08/98/1127710898.db2.gz VOFGIUQRROICDB-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO CC(C)[C@H]1N(c2nc3ccccc3n3c[nH+]cc23)CC12CCOCC2 ZINC000624279522 1127748733 /nfs/dbraw/zinc/74/87/33/1127748733.db2.gz UWDKDIPHJNHZAK-GOSISDBHSA-N 1 2 336.439 3.524 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000027817965 1127785005 /nfs/dbraw/zinc/78/50/05/1127785005.db2.gz FURXJUIANMIBLK-AWEZNQCLSA-N 1 2 342.443 3.605 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccn(C)n1 ZINC000624289305 1127786815 /nfs/dbraw/zinc/78/68/15/1127786815.db2.gz IYBHHPMBQCAIEI-MEBBXXQBSA-N 1 2 328.243 3.501 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338552065 1127802751 /nfs/dbraw/zinc/80/27/51/1127802751.db2.gz NPLCGGQOTWPLOR-VQTJNVASSA-N 1 2 345.446 3.855 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4sccc4[C@H]3C)o2)cc1 ZINC000029599646 1127803583 /nfs/dbraw/zinc/80/35/83/1127803583.db2.gz RLTLSTVZGPHPEA-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4sccc4[C@H]3C)o2)cc1 ZINC000029599646 1127803585 /nfs/dbraw/zinc/80/35/85/1127803585.db2.gz RLTLSTVZGPHPEA-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO CCOc1ccccc1CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029916690 1127810930 /nfs/dbraw/zinc/81/09/30/1127810930.db2.gz UADNTCDPHFVNTJ-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO CSc1ccc(C)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000030012826 1127814064 /nfs/dbraw/zinc/81/40/64/1127814064.db2.gz HILUPDPBOWLWKK-UHFFFAOYSA-N 1 2 341.480 3.642 20 0 EHADLO CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030565284 1127820851 /nfs/dbraw/zinc/82/08/51/1127820851.db2.gz QGAMLSRTWIVSNA-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030608642 1127822304 /nfs/dbraw/zinc/82/23/04/1127822304.db2.gz WBILDOWLYVACAV-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccoc1 ZINC000031893085 1127842777 /nfs/dbraw/zinc/84/27/77/1127842777.db2.gz USJFSPXFALAFFC-HNNXBMFYSA-N 1 2 336.794 3.639 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(CCCOc2ccccc2)CC1 ZINC000038639884 1127871588 /nfs/dbraw/zinc/87/15/88/1127871588.db2.gz NGSSVXYZOMNINU-YRNVUSSQSA-N 1 2 336.479 3.787 20 0 EHADLO Cc1cccc(-c2noc(C[NH+]3CCN(c4cccc(C)c4)CC3)n2)c1 ZINC000041283457 1127874052 /nfs/dbraw/zinc/87/40/52/1127874052.db2.gz AJLDOCZNYVTSPY-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265628668 1127876068 /nfs/dbraw/zinc/87/60/68/1127876068.db2.gz DRVNZMBGPAMNIF-CYBMUJFWSA-N 1 2 337.427 3.920 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265628668 1127876070 /nfs/dbraw/zinc/87/60/70/1127876070.db2.gz DRVNZMBGPAMNIF-CYBMUJFWSA-N 1 2 337.427 3.920 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2nc(C)no2)cc1OC ZINC000042507537 1127893523 /nfs/dbraw/zinc/89/35/23/1127893523.db2.gz JAKAXSHGKRHZMU-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nc(C)no2)cc1OC ZINC000042507537 1127893527 /nfs/dbraw/zinc/89/35/27/1127893527.db2.gz JAKAXSHGKRHZMU-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517857 1127921663 /nfs/dbraw/zinc/92/16/63/1127921663.db2.gz HKSIEVCWJFGIMB-UKRRQHHQSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438952 1127937098 /nfs/dbraw/zinc/93/70/98/1127937098.db2.gz DSTDSCWQNGUTTD-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438952 1127937100 /nfs/dbraw/zinc/93/71/00/1127937100.db2.gz DSTDSCWQNGUTTD-LBPRGKRZSA-N 1 2 336.357 3.871 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438627 1127937220 /nfs/dbraw/zinc/93/72/20/1127937220.db2.gz LBVPFWCEAQWEPO-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438627 1127937223 /nfs/dbraw/zinc/93/72/23/1127937223.db2.gz LBVPFWCEAQWEPO-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCCc2ccccc21 ZINC000045739193 1127958662 /nfs/dbraw/zinc/95/86/62/1127958662.db2.gz RWADZLAPWMHAIZ-UHFFFAOYSA-N 1 2 331.419 3.915 20 0 EHADLO CCOCc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338652479 1127984069 /nfs/dbraw/zinc/98/40/69/1127984069.db2.gz CNMSMWDPRHRLMB-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO Cc1cc2[nH]c(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2c(C)c1 ZINC000046619494 1127984352 /nfs/dbraw/zinc/98/43/52/1127984352.db2.gz FZLWACSZFZEXMS-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO COc1c(Cl)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056287549 1128015305 /nfs/dbraw/zinc/01/53/05/1128015305.db2.gz DVIIIEAWCNETKS-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000056658101 1128025675 /nfs/dbraw/zinc/02/56/75/1128025675.db2.gz FTLOGGFHRSUMTG-HNNXBMFYSA-N 1 2 342.443 3.883 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cs1 ZINC000671705937 1128036016 /nfs/dbraw/zinc/03/60/16/1128036016.db2.gz QBIYABGKGCOEMT-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc2ccccc21 ZINC001212366316 1128043307 /nfs/dbraw/zinc/04/33/07/1128043307.db2.gz KRUBSUHXQSTVQM-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000057849529 1128059860 /nfs/dbraw/zinc/05/98/60/1128059860.db2.gz IJIACRUATNLTKB-HUUCEWRRSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000057849529 1128059865 /nfs/dbraw/zinc/05/98/65/1128059865.db2.gz IJIACRUATNLTKB-HUUCEWRRSA-N 1 2 344.430 3.532 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000058298512 1128066067 /nfs/dbraw/zinc/06/60/67/1128066067.db2.gz ASHCXUTUKXRLAQ-OAHLLOKOSA-N 1 2 345.874 3.943 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)c1C ZINC000058957147 1128086328 /nfs/dbraw/zinc/08/63/28/1128086328.db2.gz BJWUFRYWSRMYJE-UHFFFAOYSA-N 1 2 342.414 3.536 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000347563106 1128095045 /nfs/dbraw/zinc/09/50/45/1128095045.db2.gz SZCFOFLTRBCLKC-SFHVURJKSA-N 1 2 347.480 3.682 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000347563106 1128095048 /nfs/dbraw/zinc/09/50/48/1128095048.db2.gz SZCFOFLTRBCLKC-SFHVURJKSA-N 1 2 347.480 3.682 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000060364344 1128099236 /nfs/dbraw/zinc/09/92/36/1128099236.db2.gz GSFXXUIVYQSATR-UHFFFAOYSA-N 1 2 339.443 3.706 20 0 EHADLO CC(C)(C)n1ncnc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000282239366 1128123545 /nfs/dbraw/zinc/12/35/45/1128123545.db2.gz LTQNGJQMAKLSDI-UHFFFAOYSA-N 1 2 348.454 3.560 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000061783433 1128129263 /nfs/dbraw/zinc/12/92/63/1128129263.db2.gz HPCVODRLGJMKFZ-MRXNPFEDSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000061783433 1128129265 /nfs/dbraw/zinc/12/92/65/1128129265.db2.gz HPCVODRLGJMKFZ-MRXNPFEDSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1OCc1ccccc1 ZINC000352218492 1128168853 /nfs/dbraw/zinc/16/88/53/1128168853.db2.gz NDECVFUCMQTUKM-MRXNPFEDSA-N 1 2 349.434 3.799 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1OCc1ccccc1 ZINC000352218492 1128168855 /nfs/dbraw/zinc/16/88/55/1128168855.db2.gz NDECVFUCMQTUKM-MRXNPFEDSA-N 1 2 349.434 3.799 20 0 EHADLO CCc1cc(NCCCCNc2cccc[nH+]2)nc(-c2ccccn2)n1 ZINC000068698623 1128272408 /nfs/dbraw/zinc/27/24/08/1128272408.db2.gz FDNDSPDIHUSEPL-UHFFFAOYSA-N 1 2 348.454 3.800 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069164886 1128282978 /nfs/dbraw/zinc/28/29/78/1128282978.db2.gz GWGDRMNKGDVSBW-IBGZPJMESA-N 1 2 341.430 3.632 20 0 EHADLO CSc1ccc(Cl)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000074250267 1128337634 /nfs/dbraw/zinc/33/76/34/1128337634.db2.gz MYZSOWWTUDOOPL-UHFFFAOYSA-N 1 2 349.887 3.567 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2occ3c2CCC3)c(C)c1 ZINC000671781340 1128350790 /nfs/dbraw/zinc/35/07/90/1128350790.db2.gz PYBJGXQRCCXIDN-LJQANCHMSA-N 1 2 349.434 3.753 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C ZINC001168608615 1128351990 /nfs/dbraw/zinc/35/19/90/1128351990.db2.gz LGVNVDPFOPAERH-RYQLBKOJSA-N 1 2 349.471 3.625 20 0 EHADLO CCc1nc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(C)o1 ZINC000671784754 1128352616 /nfs/dbraw/zinc/35/26/16/1128352616.db2.gz SHNGBNVLELDMDX-UHFFFAOYSA-N 1 2 348.406 3.713 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000089356536 1128415462 /nfs/dbraw/zinc/41/54/62/1128415462.db2.gz ZUCJLZVTUNTSDX-OALUTQOASA-N 1 2 337.467 3.933 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccco1 ZINC000921647568 1128426292 /nfs/dbraw/zinc/42/62/92/1128426292.db2.gz NNFRYVXZFPESNA-SFHVURJKSA-N 1 2 331.460 3.780 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(NCC2CC2)nc1 ZINC000282274771 1128444211 /nfs/dbraw/zinc/44/42/11/1128444211.db2.gz SVDMEEJNEKTYDE-UHFFFAOYSA-N 1 2 347.422 3.854 20 0 EHADLO CC(=O)CC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC1 ZINC000921661023 1128439685 /nfs/dbraw/zinc/43/96/85/1128439685.db2.gz YOQVPCPZJJDFKJ-UHFFFAOYSA-N 1 2 325.412 3.781 20 0 EHADLO Cc1nc(C)c(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)s1 ZINC000921667157 1128446659 /nfs/dbraw/zinc/44/66/59/1128446659.db2.gz CDPJPTSNXSOXHF-UHFFFAOYSA-N 1 2 340.452 3.948 20 0 EHADLO CCCSCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388394 1128516093 /nfs/dbraw/zinc/51/60/93/1128516093.db2.gz ADHVTIQXLRSWFE-UHFFFAOYSA-N 1 2 329.469 3.968 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1nc(-c3ccccc3F)cs1)CCC2 ZINC000338685577 1128526261 /nfs/dbraw/zinc/52/62/61/1128526261.db2.gz NZDCFQKOTPCJTC-ZDUSSCGKSA-N 1 2 342.443 3.866 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000465626693 1128534189 /nfs/dbraw/zinc/53/41/89/1128534189.db2.gz HWRPRBLCNMCTQW-GOSISDBHSA-N 1 2 340.471 3.594 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H]1CCNc2ccccc21 ZINC001168640614 1128561425 /nfs/dbraw/zinc/56/14/25/1128561425.db2.gz LAXMQNXLRRHVCC-QGZVFWFLSA-N 1 2 325.412 3.546 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000056563994 1128563980 /nfs/dbraw/zinc/56/39/80/1128563980.db2.gz PXZZXAKBCFCYDJ-AWEZNQCLSA-N 1 2 338.521 3.885 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000056563994 1128563982 /nfs/dbraw/zinc/56/39/82/1128563982.db2.gz PXZZXAKBCFCYDJ-AWEZNQCLSA-N 1 2 338.521 3.885 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057376693 1128634431 /nfs/dbraw/zinc/63/44/31/1128634431.db2.gz IKASVEAEOBTHAO-HNNXBMFYSA-N 1 2 340.427 3.812 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1F ZINC000428838874 1128690573 /nfs/dbraw/zinc/69/05/73/1128690573.db2.gz IZGGKSGQBQKZCJ-AWEZNQCLSA-N 1 2 344.434 3.570 20 0 EHADLO CC(C)(C)CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000153833558 1128740806 /nfs/dbraw/zinc/74/08/06/1128740806.db2.gz YDMKZWQLKAXEKT-UHFFFAOYSA-N 1 2 328.460 3.557 20 0 EHADLO CC1(C)COCC[N@@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347668333 1128754167 /nfs/dbraw/zinc/75/41/67/1128754167.db2.gz PGCISOBYJIVJIY-UHFFFAOYSA-N 1 2 339.361 3.502 20 0 EHADLO CC1(C)COCC[N@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347668333 1128754170 /nfs/dbraw/zinc/75/41/70/1128754170.db2.gz PGCISOBYJIVJIY-UHFFFAOYSA-N 1 2 339.361 3.502 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000672118623 1128773854 /nfs/dbraw/zinc/77/38/54/1128773854.db2.gz KJCUQMMUAOBTSH-HXUWFJFHSA-N 1 2 325.456 3.634 20 0 EHADLO CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110398654 1128783516 /nfs/dbraw/zinc/78/35/16/1128783516.db2.gz PTYQISCTYUOFNH-UHFFFAOYSA-N 1 2 342.405 3.786 20 0 EHADLO Cc1ccsc1CN(C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000338741618 1128810687 /nfs/dbraw/zinc/81/06/87/1128810687.db2.gz FQLPHMPJVOHHEC-ZDUSSCGKSA-N 1 2 331.485 3.667 20 0 EHADLO Cc1ccsc1CN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000338741618 1128810693 /nfs/dbraw/zinc/81/06/93/1128810693.db2.gz FQLPHMPJVOHHEC-ZDUSSCGKSA-N 1 2 331.485 3.667 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cn2)cc1C ZINC000338741487 1128810060 /nfs/dbraw/zinc/81/00/60/1128810060.db2.gz CJNUOHWBLUBCIM-UHFFFAOYSA-N 1 2 336.395 3.716 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000542913154 1128834708 /nfs/dbraw/zinc/83/47/08/1128834708.db2.gz GFPYYCMILRCSLS-LJQANCHMSA-N 1 2 340.398 3.866 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2sccc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000109258544 1120028675 /nfs/dbraw/zinc/02/86/75/1120028675.db2.gz YEMDHAVSDVGZNP-IYOUNJFTSA-N 1 2 346.496 3.974 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2sccc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000109258544 1120028683 /nfs/dbraw/zinc/02/86/83/1120028683.db2.gz YEMDHAVSDVGZNP-IYOUNJFTSA-N 1 2 346.496 3.974 20 0 EHADLO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1Cl ZINC000672263337 1128888392 /nfs/dbraw/zinc/88/83/92/1128888392.db2.gz OLXMYZKQUICQLD-SFHVURJKSA-N 1 2 343.858 3.901 20 0 EHADLO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1Cl ZINC000672263337 1128888396 /nfs/dbraw/zinc/88/83/96/1128888396.db2.gz OLXMYZKQUICQLD-SFHVURJKSA-N 1 2 343.858 3.901 20 0 EHADLO Fc1ccc(OC(F)F)c(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC001648940638 1120240186 /nfs/dbraw/zinc/24/01/86/1120240186.db2.gz JXXYAJSCMNZRLT-UHFFFAOYSA-N 1 2 347.340 3.903 20 0 EHADLO O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000532763427 1120331196 /nfs/dbraw/zinc/33/11/96/1120331196.db2.gz AMZXMFAPJPSZPM-ZDUSSCGKSA-N 1 2 331.375 3.984 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000355275425 1128909779 /nfs/dbraw/zinc/90/97/79/1128909779.db2.gz YAHIWINOFLGQEG-UHFFFAOYSA-N 1 2 348.431 3.627 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000184858267 1120389937 /nfs/dbraw/zinc/38/99/37/1120389937.db2.gz JJOXZLXAKGZJFV-IEBWSBKVSA-N 1 2 340.471 3.532 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccc(Cl)c4)C3)n2c1 ZINC000185644383 1120423002 /nfs/dbraw/zinc/42/30/02/1120423002.db2.gz VWUZYEVAPHFJHW-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H](C)c1ccccc1 ZINC000186431498 1120460912 /nfs/dbraw/zinc/46/09/12/1120460912.db2.gz GFIXDFPCXPJBBU-CVEARBPZSA-N 1 2 336.439 3.666 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000186937602 1120480739 /nfs/dbraw/zinc/48/07/39/1120480739.db2.gz DIPCRUBYVGGXAM-CYBMUJFWSA-N 1 2 326.843 3.730 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000186937602 1120480742 /nfs/dbraw/zinc/48/07/42/1120480742.db2.gz DIPCRUBYVGGXAM-CYBMUJFWSA-N 1 2 326.843 3.730 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000187352617 1120495145 /nfs/dbraw/zinc/49/51/45/1120495145.db2.gz MQYIUYLIGBLGPU-CVEARBPZSA-N 1 2 341.398 3.619 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000187352617 1120495148 /nfs/dbraw/zinc/49/51/48/1120495148.db2.gz MQYIUYLIGBLGPU-CVEARBPZSA-N 1 2 341.398 3.619 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000494236334 1120512704 /nfs/dbraw/zinc/51/27/04/1120512704.db2.gz CMOZJCFWQUDDFK-WAIALKQBSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000494236334 1120512708 /nfs/dbraw/zinc/51/27/08/1120512708.db2.gz CMOZJCFWQUDDFK-WAIALKQBSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000494267799 1120525115 /nfs/dbraw/zinc/52/51/15/1120525115.db2.gz JQKBMCVQWRLBDD-GXDHUFHOSA-N 1 2 344.484 3.635 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000494267799 1120525118 /nfs/dbraw/zinc/52/51/18/1120525118.db2.gz JQKBMCVQWRLBDD-GXDHUFHOSA-N 1 2 344.484 3.635 20 0 EHADLO CCOc1c(C[NH2+]Cc2cc(F)ccc2OC)c(C)nn1CC(C)C ZINC000494402825 1120550379 /nfs/dbraw/zinc/55/03/79/1120550379.db2.gz DRLAAQJCGPLSAM-UHFFFAOYSA-N 1 2 349.450 3.684 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000494414024 1120553325 /nfs/dbraw/zinc/55/33/25/1120553325.db2.gz OBELXJTZRPXZHH-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000494414024 1120553329 /nfs/dbraw/zinc/55/33/29/1120553329.db2.gz OBELXJTZRPXZHH-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000189653537 1120603151 /nfs/dbraw/zinc/60/31/51/1120603151.db2.gz CKQLDALWWDLLCJ-NSHDSACASA-N 1 2 340.901 3.982 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1c(C)noc1C ZINC000190334568 1120633801 /nfs/dbraw/zinc/63/38/01/1120633801.db2.gz JTWFIQZOKYINNH-MRXNPFEDSA-N 1 2 346.381 3.996 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000494636811 1120709556 /nfs/dbraw/zinc/70/95/56/1120709556.db2.gz MDZFOUGFFFSIDJ-DZGCQCFKSA-N 1 2 343.452 3.799 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)CCS1 ZINC000192188315 1120723723 /nfs/dbraw/zinc/72/37/23/1120723723.db2.gz FLTYUDFNSUANPW-SNVBAGLBSA-N 1 2 340.290 3.653 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)CCS1 ZINC000192188315 1120723728 /nfs/dbraw/zinc/72/37/28/1120723728.db2.gz FLTYUDFNSUANPW-SNVBAGLBSA-N 1 2 340.290 3.653 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494702789 1120726432 /nfs/dbraw/zinc/72/64/32/1120726432.db2.gz KHKFDMQEUAAMJX-GOEBONIOSA-N 1 2 348.512 3.627 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494702789 1120726435 /nfs/dbraw/zinc/72/64/35/1120726435.db2.gz KHKFDMQEUAAMJX-GOEBONIOSA-N 1 2 348.512 3.627 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccccc1C ZINC000192246373 1120728073 /nfs/dbraw/zinc/72/80/73/1120728073.db2.gz YDFHJFKANFYLRJ-UHFFFAOYSA-N 1 2 327.472 3.625 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000192671923 1120742423 /nfs/dbraw/zinc/74/24/23/1120742423.db2.gz USRDZVCVNBBNKA-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000192671923 1120742428 /nfs/dbraw/zinc/74/24/28/1120742428.db2.gz USRDZVCVNBBNKA-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO CN(C)c1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000192782287 1120748586 /nfs/dbraw/zinc/74/85/86/1120748586.db2.gz UDRZMBZUTZHDFU-MRXNPFEDSA-N 1 2 334.851 3.810 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)NCC(C)C)cc3)c[nH+]c12 ZINC000195099805 1120764226 /nfs/dbraw/zinc/76/42/26/1120764226.db2.gz NUVPVYBQFSUWAF-UHFFFAOYSA-N 1 2 336.439 3.641 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccnc1OC ZINC000193380121 1120773914 /nfs/dbraw/zinc/77/39/14/1120773914.db2.gz MDPWLDINRRNFDV-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccnc1OC ZINC000193380121 1120773915 /nfs/dbraw/zinc/77/39/15/1120773915.db2.gz MDPWLDINRRNFDV-GOSISDBHSA-N 1 2 336.439 3.797 20 0 EHADLO O=C(Cc1ccc(Cl)s1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193498461 1120780424 /nfs/dbraw/zinc/78/04/24/1120780424.db2.gz XHYOIMREKFBFTJ-UHFFFAOYSA-N 1 2 349.818 3.585 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000780578871 1120786365 /nfs/dbraw/zinc/78/63/65/1120786365.db2.gz ALGHINBXGCNOBW-MNOVXSKESA-N 1 2 326.322 3.529 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193840095 1120802315 /nfs/dbraw/zinc/80/23/15/1120802315.db2.gz PWUCINNGYMCZND-KRWDZBQOSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1sc([C@H]2COCC[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000226468432 1120811297 /nfs/dbraw/zinc/81/12/97/1120811297.db2.gz CDKCPMMLNPJCNR-GFCCVEGCSA-N 1 2 339.258 3.542 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653909000 1120864468 /nfs/dbraw/zinc/86/44/68/1120864468.db2.gz ZVGIPDXXBHRZBT-CABCVRRESA-N 1 2 342.443 3.616 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653909000 1120864470 /nfs/dbraw/zinc/86/44/70/1120864470.db2.gz ZVGIPDXXBHRZBT-CABCVRRESA-N 1 2 342.443 3.616 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000494872813 1120889568 /nfs/dbraw/zinc/88/95/68/1120889568.db2.gz HSEGHBKKAYAZSQ-MRVPVSSYSA-N 1 2 331.178 3.539 20 0 EHADLO CC(C)C[N@H+](Cn1nnn(-c2ccc(Cl)cc2)c1=S)C1CC1 ZINC000914567063 1120902274 /nfs/dbraw/zinc/90/22/74/1120902274.db2.gz WELVEMTVWRXULD-UHFFFAOYSA-N 1 2 337.880 3.530 20 0 EHADLO CC(C)C[N@@H+](Cn1nnn(-c2ccc(Cl)cc2)c1=S)C1CC1 ZINC000914567063 1120902279 /nfs/dbraw/zinc/90/22/79/1120902279.db2.gz WELVEMTVWRXULD-UHFFFAOYSA-N 1 2 337.880 3.530 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494938071 1120911053 /nfs/dbraw/zinc/91/10/53/1120911053.db2.gz GUYKNGGPGNIATR-KZSQQDEKSA-N 1 2 343.421 3.752 20 0 EHADLO COc1cccc2c(N[C@H](C)CNC(=O)OC(C)(C)C)cc[nH+]c12 ZINC000780582737 1121012746 /nfs/dbraw/zinc/01/27/46/1121012746.db2.gz KEDSAHALDDBWSY-GFCCVEGCSA-N 1 2 331.416 3.569 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C(C1CCC1)C1CCC1 ZINC000350067576 1121014872 /nfs/dbraw/zinc/01/48/72/1121014872.db2.gz APBZFJLTDNTHEU-UHFFFAOYSA-N 1 2 342.483 3.674 20 0 EHADLO CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563765 1121160328 /nfs/dbraw/zinc/16/03/28/1121160328.db2.gz XQQOISZTXANJPJ-HNNXBMFYSA-N 1 2 326.843 3.750 20 0 EHADLO CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563765 1121160330 /nfs/dbraw/zinc/16/03/30/1121160330.db2.gz XQQOISZTXANJPJ-HNNXBMFYSA-N 1 2 326.843 3.750 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(C2CCCCC2)CC1 ZINC000762399045 1121280167 /nfs/dbraw/zinc/28/01/67/1121280167.db2.gz PXOGPZPKJWACCP-UHFFFAOYSA-N 1 2 340.471 3.836 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C[C@H]2C)CC1 ZINC001128221488 1128974842 /nfs/dbraw/zinc/97/48/42/1128974842.db2.gz MBRSLGVBVMLHCE-RTKZEXODSA-N 1 2 332.513 3.636 20 0 EHADLO CNc1ccc(Nc2cc(-c3cccc(Br)n3)no2)c[nH+]1 ZINC001203452237 1121361405 /nfs/dbraw/zinc/36/14/05/1121361405.db2.gz KSKIBBWYBJKFSJ-UHFFFAOYSA-N 1 2 346.188 3.679 20 0 EHADLO C[C@@H](CC1CCOCC1)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000153688859 1121579100 /nfs/dbraw/zinc/57/91/00/1121579100.db2.gz OZYGWSADGAFTFW-YESZJQIVSA-N 1 2 332.488 3.917 20 0 EHADLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(F)c(Cl)c1Cl ZINC000762973623 1121636546 /nfs/dbraw/zinc/63/65/46/1121636546.db2.gz ONIZWYCOVQIBNI-UHFFFAOYSA-N 1 2 341.213 3.863 20 0 EHADLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(F)c(Cl)c1Cl ZINC000762973623 1121636548 /nfs/dbraw/zinc/63/65/48/1121636548.db2.gz ONIZWYCOVQIBNI-UHFFFAOYSA-N 1 2 341.213 3.863 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3sc(Br)cc32)n1 ZINC000393535785 1121645708 /nfs/dbraw/zinc/64/57/08/1121645708.db2.gz XVMGZRMUWDXTDE-SECBINFHSA-N 1 2 346.681 3.675 20 0 EHADLO Brc1cccc(-c2c[nH]c(C[NH2+]Cc3ccccn3)n2)c1 ZINC000113311783 1129000355 /nfs/dbraw/zinc/00/03/55/1129000355.db2.gz ODXUMNSFPJNNCU-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO COC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000054146074 1121742536 /nfs/dbraw/zinc/74/25/36/1121742536.db2.gz AAUPCCXIEJSDDN-JTQLQIEISA-N 1 2 338.860 3.691 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000054224951 1121750480 /nfs/dbraw/zinc/75/04/80/1121750480.db2.gz CGCGKBXGRIWCOI-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000055054281 1121792580 /nfs/dbraw/zinc/79/25/80/1121792580.db2.gz BGQZYFMHHOIKKQ-LJQANCHMSA-N 1 2 332.419 3.672 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000055054281 1121792585 /nfs/dbraw/zinc/79/25/85/1121792585.db2.gz BGQZYFMHHOIKKQ-LJQANCHMSA-N 1 2 332.419 3.672 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@@H](CC(C)C)CC1=O)CCC2 ZINC000763222943 1121911129 /nfs/dbraw/zinc/91/11/29/1121911129.db2.gz XLJUFGWQSMWSFU-GOEBONIOSA-N 1 2 349.544 3.867 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O)CCC2 ZINC000763222943 1121911135 /nfs/dbraw/zinc/91/11/35/1121911135.db2.gz XLJUFGWQSMWSFU-GOEBONIOSA-N 1 2 349.544 3.867 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc(C2CC2)n1-c1ccccc1 ZINC000763330258 1121961119 /nfs/dbraw/zinc/96/11/19/1121961119.db2.gz BQGQOOPUPNQIET-MRXNPFEDSA-N 1 2 340.496 3.970 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nc(C2CC2)n1-c1ccccc1 ZINC000763330258 1121961125 /nfs/dbraw/zinc/96/11/25/1121961125.db2.gz BQGQOOPUPNQIET-MRXNPFEDSA-N 1 2 340.496 3.970 20 0 EHADLO COC[C@@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605532 1129025571 /nfs/dbraw/zinc/02/55/71/1129025571.db2.gz LWHMXGKOVWCGGH-ZWKOTPCHSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605532 1129025575 /nfs/dbraw/zinc/02/55/75/1129025575.db2.gz LWHMXGKOVWCGGH-ZWKOTPCHSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605532 1129025579 /nfs/dbraw/zinc/02/55/79/1129025579.db2.gz LWHMXGKOVWCGGH-ZWKOTPCHSA-N 1 2 348.849 3.943 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496341613 1122063032 /nfs/dbraw/zinc/06/30/32/1122063032.db2.gz JBLISODFVDEZKR-GFCCVEGCSA-N 1 2 345.399 3.541 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496341613 1122063035 /nfs/dbraw/zinc/06/30/35/1122063035.db2.gz JBLISODFVDEZKR-GFCCVEGCSA-N 1 2 345.399 3.541 20 0 EHADLO CC[C@@H]1C[C@@H](CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496441834 1122084061 /nfs/dbraw/zinc/08/40/61/1122084061.db2.gz WUUYJVPEWFKBMR-GOEBONIOSA-N 1 2 349.475 3.723 20 0 EHADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000496659416 1122144247 /nfs/dbraw/zinc/14/42/47/1122144247.db2.gz HLGIIQDHDHJFRC-ZDUSSCGKSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000496659416 1122144252 /nfs/dbraw/zinc/14/42/52/1122144252.db2.gz HLGIIQDHDHJFRC-ZDUSSCGKSA-N 1 2 331.441 3.601 20 0 EHADLO O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000672668375 1129040107 /nfs/dbraw/zinc/04/01/07/1129040107.db2.gz IVDDWGLKERJXJI-DGCLKSJQSA-N 1 2 340.349 3.825 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668809 1129040901 /nfs/dbraw/zinc/04/09/01/1129040901.db2.gz YDJUJLYIGIHCMD-INIZCTEOSA-N 1 2 338.411 3.958 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1csnn1 ZINC000497055869 1122253302 /nfs/dbraw/zinc/25/33/02/1122253302.db2.gz JMABRQYUEYUXLH-LLVKDONJSA-N 1 2 334.445 3.736 20 0 EHADLO Cc1cscc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000124099094 1122275065 /nfs/dbraw/zinc/27/50/65/1122275065.db2.gz LSHCTDKEYJAREZ-UHFFFAOYSA-N 1 2 340.452 3.666 20 0 EHADLO C[N@H+](Cc1ncc(Cl)s1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497177653 1122357525 /nfs/dbraw/zinc/35/75/25/1122357525.db2.gz LCHGYPPYZBDLNO-LLVKDONJSA-N 1 2 345.896 3.532 20 0 EHADLO C[N@@H+](Cc1ncc(Cl)s1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497177653 1122357531 /nfs/dbraw/zinc/35/75/31/1122357531.db2.gz LCHGYPPYZBDLNO-LLVKDONJSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125985115 1122373615 /nfs/dbraw/zinc/37/36/15/1122373615.db2.gz QETCRIPKVJFBFW-RHSMWYFYSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000497222010 1122381520 /nfs/dbraw/zinc/38/15/20/1122381520.db2.gz NWPHWXJFIXSKQX-CYBMUJFWSA-N 1 2 331.416 3.550 20 0 EHADLO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000126294901 1122400256 /nfs/dbraw/zinc/40/02/56/1122400256.db2.gz BUZQZVQLWCELKU-SWLSCSKDSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000126294901 1122400258 /nfs/dbraw/zinc/40/02/58/1122400258.db2.gz BUZQZVQLWCELKU-SWLSCSKDSA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)c1ncc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000126742961 1122422453 /nfs/dbraw/zinc/42/24/53/1122422453.db2.gz GSXCEGGJDGJDRU-GFCCVEGCSA-N 1 2 349.525 3.505 20 0 EHADLO CC(C)c1ncc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000126742961 1122422455 /nfs/dbraw/zinc/42/24/55/1122422455.db2.gz GSXCEGGJDGJDRU-GFCCVEGCSA-N 1 2 349.525 3.505 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 ZINC000126909254 1122451831 /nfs/dbraw/zinc/45/18/31/1122451831.db2.gz WWPOYPDHRIMOMQ-FHSNZYRGSA-N 1 2 347.386 3.728 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 ZINC000126909254 1122451835 /nfs/dbraw/zinc/45/18/35/1122451835.db2.gz WWPOYPDHRIMOMQ-FHSNZYRGSA-N 1 2 347.386 3.728 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127518667 1122491112 /nfs/dbraw/zinc/49/11/12/1122491112.db2.gz JJFDOCBMGMOZEW-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127518667 1122491116 /nfs/dbraw/zinc/49/11/16/1122491116.db2.gz JJFDOCBMGMOZEW-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000497472962 1122559917 /nfs/dbraw/zinc/55/99/17/1122559917.db2.gz VTVQQTUDEPYUMZ-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000497472962 1122559920 /nfs/dbraw/zinc/55/99/20/1122559920.db2.gz VTVQQTUDEPYUMZ-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO O=C(NCCC1CCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154339109 1122564341 /nfs/dbraw/zinc/56/43/41/1122564341.db2.gz KHXVILNKDJDFPC-MOPGFXCFSA-N 1 2 338.455 3.601 20 0 EHADLO COCc1ccc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)o1 ZINC000128406888 1122587041 /nfs/dbraw/zinc/58/70/41/1122587041.db2.gz REGWWVFWZXMOJP-GFCCVEGCSA-N 1 2 329.425 3.795 20 0 EHADLO CC[N@H+](CCc1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000917467867 1122615931 /nfs/dbraw/zinc/61/59/31/1122615931.db2.gz ZSJAGTUJJPFHOQ-UHFFFAOYSA-N 1 2 338.480 3.925 20 0 EHADLO CC[N@@H+](CCc1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000917467867 1122615933 /nfs/dbraw/zinc/61/59/33/1122615933.db2.gz ZSJAGTUJJPFHOQ-UHFFFAOYSA-N 1 2 338.480 3.925 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000917641821 1122656012 /nfs/dbraw/zinc/65/60/12/1122656012.db2.gz DLVYVVHNSOBDKM-BUYIWHAFSA-N 1 2 332.875 3.902 20 0 EHADLO C/C(=C\C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000917685788 1122664203 /nfs/dbraw/zinc/66/42/03/1122664203.db2.gz MESXHWOGDXBGRY-SAPNQHFASA-N 1 2 335.451 3.792 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cscn1 ZINC000128899122 1122689958 /nfs/dbraw/zinc/68/99/58/1122689958.db2.gz UVKJSPJXTNZTIC-UHFFFAOYSA-N 1 2 337.246 3.887 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)[C@@H](OC1CCCC1)c1ccccc1 ZINC000154594496 1122723614 /nfs/dbraw/zinc/72/36/14/1122723614.db2.gz UWKYXTXWFWIXCU-KRWDZBQOSA-N 1 2 345.830 3.879 20 0 EHADLO COCc1cccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923838348 1122874184 /nfs/dbraw/zinc/87/41/84/1122874184.db2.gz DLRXEGNNIHMELX-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO CCN(Cc1ccoc1)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000672839425 1129084958 /nfs/dbraw/zinc/08/49/58/1129084958.db2.gz DJMDLNQHDWZFCJ-UHFFFAOYSA-N 1 2 334.847 3.804 20 0 EHADLO CCN(Cc1ccoc1)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000672839425 1129084963 /nfs/dbraw/zinc/08/49/63/1129084963.db2.gz DJMDLNQHDWZFCJ-UHFFFAOYSA-N 1 2 334.847 3.804 20 0 EHADLO O=C(CCCCC(=O)c1ccccc1)NNc1cc[nH+]cc1Cl ZINC000154864325 1122956565 /nfs/dbraw/zinc/95/65/65/1122956565.db2.gz HQSVVXXPWAWYHC-UHFFFAOYSA-N 1 2 331.803 3.621 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000498558115 1122973550 /nfs/dbraw/zinc/97/35/50/1122973550.db2.gz RITZOFRJVXLWBM-SJORKVTESA-N 1 2 329.488 3.905 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cs1 ZINC000556520247 1123013491 /nfs/dbraw/zinc/01/34/91/1123013491.db2.gz SSUORQRXGNPFCO-UHFFFAOYSA-N 1 2 338.860 3.998 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCCC[C@H]1C1CCC1 ZINC000649196889 1123052160 /nfs/dbraw/zinc/05/21/60/1123052160.db2.gz ZIUVTRZOVPRETD-FQEVSTJZSA-N 1 2 337.467 3.655 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000919502502 1123071752 /nfs/dbraw/zinc/07/17/52/1123071752.db2.gz ZRSWOYWUJNDTOF-NUXDXBQRSA-N 1 2 338.476 3.619 20 0 EHADLO C[C@H]([NH2+]Cc1cc2ccccc2nc1Cl)c1nnc2ccccn21 ZINC000237537471 1123075875 /nfs/dbraw/zinc/07/58/75/1123075875.db2.gz FZMRRDABTLRABX-LBPRGKRZSA-N 1 2 337.814 3.782 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1sc2ccccc2c1Cl ZINC000155020535 1123089582 /nfs/dbraw/zinc/08/95/82/1123089582.db2.gz IUBQMDPWHVCTQM-UHFFFAOYSA-N 1 2 333.844 3.914 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000131517015 1123128265 /nfs/dbraw/zinc/12/82/65/1123128265.db2.gz DOSFVTROSXSJCW-HNNXBMFYSA-N 1 2 326.440 3.911 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000131517015 1123128268 /nfs/dbraw/zinc/12/82/68/1123128268.db2.gz DOSFVTROSXSJCW-HNNXBMFYSA-N 1 2 326.440 3.911 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000919948762 1123236126 /nfs/dbraw/zinc/23/61/26/1123236126.db2.gz ZPOOJSGQCRYNFX-INIZCTEOSA-N 1 2 331.485 3.681 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000919948762 1123236130 /nfs/dbraw/zinc/23/61/30/1123236130.db2.gz ZPOOJSGQCRYNFX-INIZCTEOSA-N 1 2 331.485 3.681 20 0 EHADLO CCCOc1cccc2c(N[C@@H](C)CO[C@H]3CCOC3)cc[nH+]c12 ZINC000499138988 1123243733 /nfs/dbraw/zinc/24/37/33/1123243733.db2.gz LGGBIGAOAGLEHR-GJZGRUSLSA-N 1 2 330.428 3.630 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000920059710 1123272862 /nfs/dbraw/zinc/27/28/62/1123272862.db2.gz NZHFTUKQIRVWLN-SJORKVTESA-N 1 2 334.508 3.815 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc3ccccc3c1)CC2 ZINC000920088580 1123283665 /nfs/dbraw/zinc/28/36/65/1123283665.db2.gz IPYZZKNLFUUNML-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc3ccccc3c1)CC2 ZINC000920088580 1123283668 /nfs/dbraw/zinc/28/36/68/1123283668.db2.gz IPYZZKNLFUUNML-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133514480 1123398883 /nfs/dbraw/zinc/39/88/83/1123398883.db2.gz ODOFGMXXPXMCRA-UHFFFAOYSA-N 1 2 337.423 3.596 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133514480 1123398888 /nfs/dbraw/zinc/39/88/88/1123398888.db2.gz ODOFGMXXPXMCRA-UHFFFAOYSA-N 1 2 337.423 3.596 20 0 EHADLO C[C@@H](OC(=O)CCCn1cc[nH+]c1)c1nc2ccccc2n1C(F)F ZINC000920928107 1123438144 /nfs/dbraw/zinc/43/81/44/1123438144.db2.gz VGCHYKMGUABFEZ-GFCCVEGCSA-N 1 2 348.353 3.713 20 0 EHADLO CC[N@@H+](Cc1csc(C2CC2)n1)C[C@H]1COc2ccccc2O1 ZINC000134850538 1123558092 /nfs/dbraw/zinc/55/80/92/1123558092.db2.gz HSJBKDGNIOJPFP-HNNXBMFYSA-N 1 2 330.453 3.682 20 0 EHADLO CC[N@H+](Cc1csc(C2CC2)n1)C[C@H]1COc2ccccc2O1 ZINC000134850538 1123558095 /nfs/dbraw/zinc/55/80/95/1123558095.db2.gz HSJBKDGNIOJPFP-HNNXBMFYSA-N 1 2 330.453 3.682 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000135087841 1123580417 /nfs/dbraw/zinc/58/04/17/1123580417.db2.gz RKKBJRGLMBLJOE-QGZVFWFLSA-N 1 2 346.862 3.767 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609537079 1123606119 /nfs/dbraw/zinc/60/61/19/1123606119.db2.gz VFDGWUHKLZPWIX-UXHICEINSA-N 1 2 339.435 3.754 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609537079 1123606122 /nfs/dbraw/zinc/60/61/22/1123606122.db2.gz VFDGWUHKLZPWIX-UXHICEINSA-N 1 2 339.435 3.754 20 0 EHADLO CC(C)CCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000079250524 1123680867 /nfs/dbraw/zinc/68/08/67/1123680867.db2.gz XWRMSWHKFXLCDU-IAGOWNOFSA-N 1 2 347.503 3.854 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000079450469 1123696415 /nfs/dbraw/zinc/69/64/15/1123696415.db2.gz PPCUDSRFTZVFGX-QFBILLFUSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1nc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)sc1Br ZINC000922134711 1129139801 /nfs/dbraw/zinc/13/98/01/1129139801.db2.gz RJINFIKMZSQMLO-TVQRCGJNSA-N 1 2 339.258 3.826 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCCOC(C)(C)C1 ZINC000610160269 1123741366 /nfs/dbraw/zinc/74/13/66/1123741366.db2.gz HDTZVVWJPSJLOS-UHFFFAOYSA-N 1 2 342.439 3.725 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](COC)c2ccco2)cc(Cl)c1OC ZINC000080240333 1123747701 /nfs/dbraw/zinc/74/77/01/1123747701.db2.gz ZKRURJKAMZDOIJ-AWEZNQCLSA-N 1 2 339.819 3.818 20 0 EHADLO CCOc1cc(-c2noc([C@@H]([NH3+])CC(C)C)n2)cc(Cl)c1O ZINC000843218608 1129143164 /nfs/dbraw/zinc/14/31/64/1129143164.db2.gz ZHYVWOXZAQUFSH-NSHDSACASA-N 1 2 325.796 3.540 20 0 EHADLO Cc1sc(NC(=O)Cn2cc[nH+]c2)nc1-c1ccc(Cl)cc1 ZINC000080722141 1123761511 /nfs/dbraw/zinc/76/15/11/1123761511.db2.gz RJSKNTPFQGHVCS-UHFFFAOYSA-N 1 2 332.816 3.607 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)ccc1O ZINC000080847438 1123766740 /nfs/dbraw/zinc/76/67/40/1123766740.db2.gz JVNVYHOAGUGLBH-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)ccc1O ZINC000080847438 1123766743 /nfs/dbraw/zinc/76/67/43/1123766743.db2.gz JVNVYHOAGUGLBH-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1c(F)cccc1F ZINC000615334660 1123782806 /nfs/dbraw/zinc/78/28/06/1123782806.db2.gz NQLBTMYWYKACSA-UWVGGRQHSA-N 1 2 340.320 3.921 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1c(F)cccc1F ZINC000615336467 1123782880 /nfs/dbraw/zinc/78/28/80/1123782880.db2.gz XPDVTUCDHYCGDG-OLZOCXBDSA-N 1 2 330.378 3.593 20 0 EHADLO CC1(C)CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543040106 1129145404 /nfs/dbraw/zinc/14/54/04/1129145404.db2.gz FTCLGXGHXMBRNI-QGZVFWFLSA-N 1 2 332.492 3.664 20 0 EHADLO CCN(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617322 1123897032 /nfs/dbraw/zinc/89/70/32/1123897032.db2.gz VPYUBEHPWFHHCX-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO CCN(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617322 1123897035 /nfs/dbraw/zinc/89/70/35/1123897035.db2.gz VPYUBEHPWFHHCX-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000649313086 1123934173 /nfs/dbraw/zinc/93/41/73/1123934173.db2.gz SJUKLUCLANZJDU-FQEVSTJZSA-N 1 2 343.492 3.990 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000649313086 1123934176 /nfs/dbraw/zinc/93/41/76/1123934176.db2.gz SJUKLUCLANZJDU-FQEVSTJZSA-N 1 2 343.492 3.990 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616330863 1123984522 /nfs/dbraw/zinc/98/45/22/1123984522.db2.gz WILYVZHYFGVFLG-MNEFBYGVSA-N 1 2 325.456 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616330863 1123984526 /nfs/dbraw/zinc/98/45/26/1123984526.db2.gz WILYVZHYFGVFLG-MNEFBYGVSA-N 1 2 325.456 3.773 20 0 EHADLO CC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C)cc1 ZINC000338801442 1129160985 /nfs/dbraw/zinc/16/09/85/1129160985.db2.gz JPOKXITULRPXIB-KRWDZBQOSA-N 1 2 326.444 3.758 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000138905772 1124028958 /nfs/dbraw/zinc/02/89/58/1124028958.db2.gz WVWXVPYYFPDNGV-KRWDZBQOSA-N 1 2 348.535 3.845 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000616749130 1124029663 /nfs/dbraw/zinc/02/96/63/1124029663.db2.gz PPQHZVQHSXGYGA-CQSZACIVSA-N 1 2 329.387 3.840 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000616749130 1124029669 /nfs/dbraw/zinc/02/96/69/1124029669.db2.gz PPQHZVQHSXGYGA-CQSZACIVSA-N 1 2 329.387 3.840 20 0 EHADLO CC(C)CN(C(=O)Cc1c[nH+]cn1C)[C@H](C)c1ccccc1Cl ZINC000616822554 1124040671 /nfs/dbraw/zinc/04/06/71/1124040671.db2.gz YYRHFFODIXWTEL-CQSZACIVSA-N 1 2 333.863 3.862 20 0 EHADLO Clc1nccc(Br)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001236587817 1124463686 /nfs/dbraw/zinc/46/36/86/1124463686.db2.gz DBJOCMBPCFIEGK-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1nccc(Br)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001236587817 1124463688 /nfs/dbraw/zinc/46/36/88/1124463688.db2.gz DBJOCMBPCFIEGK-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2ccco2)CC1 ZINC000617380027 1124506465 /nfs/dbraw/zinc/50/64/65/1124506465.db2.gz VPMXEZUKMFDUTA-UHFFFAOYSA-N 1 2 335.407 3.544 20 0 EHADLO CCC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C[C@H]1CCCCO1 ZINC000247359318 1124606765 /nfs/dbraw/zinc/60/67/65/1124606765.db2.gz YQIXYCFQIRCVGF-ZIAGYGMSSA-N 1 2 327.494 3.665 20 0 EHADLO CCC[N@H+](Cc1nc([C@@H](C)SCC)no1)C[C@H]1CCCCO1 ZINC000247359318 1124606768 /nfs/dbraw/zinc/60/67/68/1124606768.db2.gz YQIXYCFQIRCVGF-ZIAGYGMSSA-N 1 2 327.494 3.665 20 0 EHADLO CC(C)[C@H](C)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247671870 1124621796 /nfs/dbraw/zinc/62/17/96/1124621796.db2.gz ZPBGLNDARUEEBR-ATZDWAIDSA-N 1 2 340.471 3.703 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000248380685 1124653729 /nfs/dbraw/zinc/65/37/29/1124653729.db2.gz QWUXFJNNZFTDPE-TZMCWYRMSA-N 1 2 334.510 3.996 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000248380685 1124653732 /nfs/dbraw/zinc/65/37/32/1124653732.db2.gz QWUXFJNNZFTDPE-TZMCWYRMSA-N 1 2 334.510 3.996 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000248853233 1124708160 /nfs/dbraw/zinc/70/81/60/1124708160.db2.gz QKRBBTKCNCYSTH-BPUTZDHNSA-N 1 2 334.485 3.574 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000248853233 1124708168 /nfs/dbraw/zinc/70/81/68/1124708168.db2.gz QKRBBTKCNCYSTH-BPUTZDHNSA-N 1 2 334.485 3.574 20 0 EHADLO c1sc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1[C@H]1CCCOC1 ZINC000249042031 1124730531 /nfs/dbraw/zinc/73/05/31/1124730531.db2.gz VEHQLXAYULTCKD-WMZOPIPTSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1[C@H]1CCCOC1 ZINC000249042031 1124730536 /nfs/dbraw/zinc/73/05/36/1124730536.db2.gz VEHQLXAYULTCKD-WMZOPIPTSA-N 1 2 344.480 3.611 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000249125282 1124740826 /nfs/dbraw/zinc/74/08/26/1124740826.db2.gz UBVJWMYZDMETQU-ZWNOBZJWSA-N 1 2 347.789 3.572 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000249125282 1124740835 /nfs/dbraw/zinc/74/08/35/1124740835.db2.gz UBVJWMYZDMETQU-ZWNOBZJWSA-N 1 2 347.789 3.572 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC001670891309 1124747543 /nfs/dbraw/zinc/74/75/43/1124747543.db2.gz CCAGLYLVHXIWIG-MRXNPFEDSA-N 1 2 330.407 3.589 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC001670891309 1124747550 /nfs/dbraw/zinc/74/75/50/1124747550.db2.gz CCAGLYLVHXIWIG-MRXNPFEDSA-N 1 2 330.407 3.589 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CC[C@H]3CCCO3)CCO2)cc1Cl ZINC000249267518 1124749092 /nfs/dbraw/zinc/74/90/92/1124749092.db2.gz IRURBVVDSKSJLJ-CZUORRHYSA-N 1 2 330.255 3.936 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CC[C@H]3CCCO3)CCO2)cc1Cl ZINC000249267518 1124749097 /nfs/dbraw/zinc/74/90/97/1124749097.db2.gz IRURBVVDSKSJLJ-CZUORRHYSA-N 1 2 330.255 3.936 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249274689 1124749642 /nfs/dbraw/zinc/74/96/42/1124749642.db2.gz COADDDJOGFSMQL-CIRFHOKZSA-N 1 2 330.472 3.526 20 0 EHADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249274689 1124749648 /nfs/dbraw/zinc/74/96/48/1124749648.db2.gz COADDDJOGFSMQL-CIRFHOKZSA-N 1 2 330.472 3.526 20 0 EHADLO CCOC(=O)c1cnn(C[NH+]2CCC(C(C)(C)C)CC2)c1C(F)F ZINC000734829566 1131282789 /nfs/dbraw/zinc/28/27/89/1131282789.db2.gz SDVGELVMQLYNRP-UHFFFAOYSA-N 1 2 343.418 3.713 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000735071011 1131306537 /nfs/dbraw/zinc/30/65/37/1131306537.db2.gz VZPRUSPHUFTTEP-LPHOPBHVSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000735071011 1131306539 /nfs/dbraw/zinc/30/65/39/1131306539.db2.gz VZPRUSPHUFTTEP-LPHOPBHVSA-N 1 2 348.874 3.856 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388791 1124803114 /nfs/dbraw/zinc/80/31/14/1124803114.db2.gz RWYXUAQDXVSAAU-AAEUAGOBSA-N 1 2 338.427 3.724 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181388791 1124803120 /nfs/dbraw/zinc/80/31/20/1124803120.db2.gz RWYXUAQDXVSAAU-AAEUAGOBSA-N 1 2 338.427 3.724 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)OCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000181476628 1124870565 /nfs/dbraw/zinc/87/05/65/1124870565.db2.gz VLNMJWVZOPNVEH-MAUKXSAKSA-N 1 2 345.464 3.643 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)OCc2ccccc2)C[C@H](c2ccsc2)O1 ZINC000181476628 1124870569 /nfs/dbraw/zinc/87/05/69/1124870569.db2.gz VLNMJWVZOPNVEH-MAUKXSAKSA-N 1 2 345.464 3.643 20 0 EHADLO CCc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002020 1124884265 /nfs/dbraw/zinc/88/42/65/1124884265.db2.gz FUMDDNCQXNIMNS-CZUORRHYSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002020 1124884271 /nfs/dbraw/zinc/88/42/71/1124884271.db2.gz FUMDDNCQXNIMNS-CZUORRHYSA-N 1 2 349.887 3.534 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C ZINC000251605910 1124927933 /nfs/dbraw/zinc/92/79/33/1124927933.db2.gz FYLSZLYPHNYJDD-UHIISALHSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C ZINC000251605910 1124927938 /nfs/dbraw/zinc/92/79/38/1124927938.db2.gz FYLSZLYPHNYJDD-UHIISALHSA-N 1 2 345.270 3.677 20 0 EHADLO COc1ccc(C[C@H](C)C[N@H+](C)Cc2noc(C(C)(C)C)n2)cc1 ZINC000090619561 1124928650 /nfs/dbraw/zinc/92/86/50/1124928650.db2.gz KWHNHMKMAFMNLY-AWEZNQCLSA-N 1 2 331.460 3.686 20 0 EHADLO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2noc(C(C)(C)C)n2)cc1 ZINC000090619561 1124928656 /nfs/dbraw/zinc/92/86/56/1124928656.db2.gz KWHNHMKMAFMNLY-AWEZNQCLSA-N 1 2 331.460 3.686 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000069797214 1125062274 /nfs/dbraw/zinc/06/22/74/1125062274.db2.gz VPORDBYHCNCMCE-UHFFFAOYSA-N 1 2 333.435 3.753 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000069797214 1125062281 /nfs/dbraw/zinc/06/22/81/1125062281.db2.gz VPORDBYHCNCMCE-UHFFFAOYSA-N 1 2 333.435 3.753 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(Cl)c1 ZINC000618613191 1125125242 /nfs/dbraw/zinc/12/52/42/1125125242.db2.gz IQXFHNIECCSAHW-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(Cl)c1 ZINC000618613191 1125125248 /nfs/dbraw/zinc/12/52/48/1125125248.db2.gz IQXFHNIECCSAHW-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000253476742 1125164247 /nfs/dbraw/zinc/16/42/47/1125164247.db2.gz BDKLCWJTJCPLKP-KRWDZBQOSA-N 1 2 346.519 3.773 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000076016793 1125238004 /nfs/dbraw/zinc/23/80/04/1125238004.db2.gz IZHSTVXUPVUPAI-AWEZNQCLSA-N 1 2 337.464 3.629 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000076016793 1125238007 /nfs/dbraw/zinc/23/80/07/1125238007.db2.gz IZHSTVXUPVUPAI-AWEZNQCLSA-N 1 2 337.464 3.629 20 0 EHADLO O=C(N[C@H]1CCSc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263967135 1125240929 /nfs/dbraw/zinc/24/09/29/1125240929.db2.gz UPINOJVYPFPMMH-ZFWWWQNUSA-N 1 2 342.468 3.536 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000093478277 1125259715 /nfs/dbraw/zinc/25/97/15/1125259715.db2.gz PIYGCUOCPXJXNK-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000093478277 1125259719 /nfs/dbraw/zinc/25/97/19/1125259719.db2.gz PIYGCUOCPXJXNK-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000076022822 1125276486 /nfs/dbraw/zinc/27/64/86/1125276486.db2.gz QMJNYIYCHQBSHC-MAUKXSAKSA-N 1 2 327.472 3.780 20 0 EHADLO COc1ccc([C@@H](C)[C@@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000182952812 1125404287 /nfs/dbraw/zinc/40/42/87/1125404287.db2.gz IPOPJNIQOZMJMG-JKSUJKDBSA-N 1 2 328.456 3.728 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000630869613 1125424222 /nfs/dbraw/zinc/42/42/22/1125424222.db2.gz VVLOENGKKBZECW-XYPWUTKMSA-N 1 2 337.423 3.801 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953114 1125443794 /nfs/dbraw/zinc/44/37/94/1125443794.db2.gz OGHRAXNDRZAALU-VBQJREDUSA-N 1 2 338.879 3.721 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953114 1125443796 /nfs/dbraw/zinc/44/37/96/1125443796.db2.gz OGHRAXNDRZAALU-VBQJREDUSA-N 1 2 338.879 3.721 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000348540014 1129187403 /nfs/dbraw/zinc/18/74/03/1129187403.db2.gz RHQKIJADBVLQOY-HUUCEWRRSA-N 1 2 345.874 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000348540014 1129187406 /nfs/dbraw/zinc/18/74/06/1129187406.db2.gz RHQKIJADBVLQOY-HUUCEWRRSA-N 1 2 345.874 3.741 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000682152072 1129212006 /nfs/dbraw/zinc/21/20/06/1129212006.db2.gz NNCCXLVWSCJLNH-UHFFFAOYSA-N 1 2 347.846 3.747 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000682152072 1129212010 /nfs/dbraw/zinc/21/20/10/1129212010.db2.gz NNCCXLVWSCJLNH-UHFFFAOYSA-N 1 2 347.846 3.747 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)ccn1 ZINC000347693668 1129256918 /nfs/dbraw/zinc/25/69/18/1129256918.db2.gz YPIZVGYBSPOEGK-NSHDSACASA-N 1 2 329.425 3.966 20 0 EHADLO O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000115352990 1129261171 /nfs/dbraw/zinc/26/11/71/1129261171.db2.gz LFFZRFSWWKXDEP-UHFFFAOYSA-N 1 2 334.354 3.878 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000543133434 1129268509 /nfs/dbraw/zinc/26/85/09/1129268509.db2.gz RYDADWPLWUYLKV-UGSOOPFHSA-N 1 2 334.423 3.638 20 0 EHADLO Cn1c[nH+]cc1CNc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000357608832 1129283647 /nfs/dbraw/zinc/28/36/47/1129283647.db2.gz OGWZLSUDHLNFHE-UHFFFAOYSA-N 1 2 338.358 3.596 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2COCc3ccccc32)sc1Br ZINC000922191327 1129323699 /nfs/dbraw/zinc/32/36/99/1129323699.db2.gz STAIUIPQGJLMNL-GFCCVEGCSA-N 1 2 339.258 3.575 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CCCCC3)n2)C12CCCC2 ZINC000347698360 1129345944 /nfs/dbraw/zinc/34/59/44/1129345944.db2.gz DYDGZWWBJRVZPI-HZPDHXFCSA-N 1 2 333.476 3.945 20 0 EHADLO Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2)o1 ZINC000081023702 1129394815 /nfs/dbraw/zinc/39/48/15/1129394815.db2.gz BMUFEVGQTHPDRD-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282344122 1129400517 /nfs/dbraw/zinc/40/05/17/1129400517.db2.gz OUGPTTHHLHMOTJ-KRWDZBQOSA-N 1 2 339.483 3.672 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCC2=O ZINC000338838746 1129420828 /nfs/dbraw/zinc/42/08/28/1129420828.db2.gz YWDRCDWNSLWBKM-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000117261048 1129427676 /nfs/dbraw/zinc/42/76/76/1129427676.db2.gz AXTOVQZWUKXWIX-ROUUACIJSA-N 1 2 331.504 3.893 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001143142505 1129438606 /nfs/dbraw/zinc/43/86/06/1129438606.db2.gz FKMUEWTVCFFDDX-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cc(C)cc(OC)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001143142505 1129438609 /nfs/dbraw/zinc/43/86/09/1129438609.db2.gz FKMUEWTVCFFDDX-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccccc1OC)c1ccccc1 ZINC000499752400 1129456698 /nfs/dbraw/zinc/45/66/98/1129456698.db2.gz OEQLGZJKOHIEAP-OXQOHEQNSA-N 1 2 340.467 3.956 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000069687023 1129473942 /nfs/dbraw/zinc/47/39/42/1129473942.db2.gz OHGCZBBQONUPIY-UHFFFAOYSA-N 1 2 340.358 3.636 20 0 EHADLO CCc1cc(N(Cc2cc(OC)ccc2OC)C2CC2)nc(C)[nH+]1 ZINC000359721656 1129482894 /nfs/dbraw/zinc/48/28/94/1129482894.db2.gz YHOFFIXVLYTCSK-UHFFFAOYSA-N 1 2 327.428 3.534 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000466493994 1129493048 /nfs/dbraw/zinc/49/30/48/1129493048.db2.gz YQSDTGGJGTWEQW-MRXNPFEDSA-N 1 2 343.496 3.514 20 0 EHADLO C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000543479547 1129517515 /nfs/dbraw/zinc/51/75/15/1129517515.db2.gz AGSJNPFJDDKTQW-MRXNPFEDSA-N 1 2 332.488 3.920 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3nc4ccc(F)cc4s3)nc12 ZINC000428855843 1129535891 /nfs/dbraw/zinc/53/58/91/1129535891.db2.gz INCALMLHLHXUHM-UHFFFAOYSA-N 1 2 326.400 3.681 20 0 EHADLO COc1cc(C)c(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000922521394 1129560930 /nfs/dbraw/zinc/56/09/30/1129560930.db2.gz UVDVGDLFDNFOIM-KXBFYZLASA-N 1 2 331.387 3.574 20 0 EHADLO C[C@H]1CCC[C@@H](OCCCCCC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922576608 1129578148 /nfs/dbraw/zinc/57/81/48/1129578148.db2.gz UTONLTDPHSHRJR-DOTOQJQBSA-N 1 2 334.460 3.863 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+][C@@H](c3ncccn3)C3CC3)cn2)cc1 ZINC000922580273 1129580165 /nfs/dbraw/zinc/58/01/65/1129580165.db2.gz OMWGBTMPULVINQ-QGZVFWFLSA-N 1 2 339.830 3.557 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499958397 1129592105 /nfs/dbraw/zinc/59/21/05/1129592105.db2.gz WMGNGIWEFWFYBP-AWEZNQCLSA-N 1 2 344.213 3.964 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)cc(Cl)c1F ZINC000922670127 1129620656 /nfs/dbraw/zinc/62/06/56/1129620656.db2.gz QKTGGTXTRANADI-VIFPVBQESA-N 1 2 343.233 3.839 20 0 EHADLO c1onc(Cc2ccccc2)c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922695284 1129633131 /nfs/dbraw/zinc/63/31/31/1129633131.db2.gz GIEGIKLHPBOZCC-UHFFFAOYSA-N 1 2 339.464 3.891 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961940 1129643129 /nfs/dbraw/zinc/64/31/29/1129643129.db2.gz AVRRDCLBCZJPFO-CVEARBPZSA-N 1 2 328.460 3.606 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961940 1129643132 /nfs/dbraw/zinc/64/31/32/1129643132.db2.gz AVRRDCLBCZJPFO-CVEARBPZSA-N 1 2 328.460 3.606 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCCC[C@H](C3CCOCC3)C2)c(C)[nH+]1 ZINC000922775122 1129656948 /nfs/dbraw/zinc/65/69/48/1129656948.db2.gz LCUCPPMSSJVDGC-SFHVURJKSA-N 1 2 330.472 3.676 20 0 EHADLO Nc1ccc(COC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c[nH+]1 ZINC000922775720 1129657519 /nfs/dbraw/zinc/65/75/19/1129657519.db2.gz LBSXBAIJSFGGJG-OCCSQVGLSA-N 1 2 334.778 3.693 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000509034330 1129679529 /nfs/dbraw/zinc/67/95/29/1129679529.db2.gz CLXGOPYKNKNNEP-SFHVURJKSA-N 1 2 333.520 3.995 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000509034330 1129679531 /nfs/dbraw/zinc/67/95/31/1129679531.db2.gz CLXGOPYKNKNNEP-SFHVURJKSA-N 1 2 333.520 3.995 20 0 EHADLO Cn1c[nH+]cc1CNc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000347753653 1129690549 /nfs/dbraw/zinc/69/05/49/1129690549.db2.gz LRPRQDMZHDLYSQ-UHFFFAOYSA-N 1 2 340.814 3.938 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000338897998 1129737999 /nfs/dbraw/zinc/73/79/99/1129737999.db2.gz DNDHKFPBKBWOSS-CYBMUJFWSA-N 1 2 340.814 3.720 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2ccncc2Br)CC2CC2)c1 ZINC000625166400 1129751377 /nfs/dbraw/zinc/75/13/77/1129751377.db2.gz GNBIYUJPAZAQBG-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO Oc1cccc(C[N@H+](Cc2ccncc2Br)CC2CC2)c1 ZINC000625166400 1129751380 /nfs/dbraw/zinc/75/13/80/1129751380.db2.gz GNBIYUJPAZAQBG-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000625230710 1129772750 /nfs/dbraw/zinc/77/27/50/1129772750.db2.gz DXAKZTAMGRAWBS-UHFFFAOYSA-N 1 2 330.815 3.536 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168740659 1129793948 /nfs/dbraw/zinc/79/39/48/1129793948.db2.gz UMDLARUGNNGJHV-QGZVFWFLSA-N 1 2 346.902 3.532 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@H](C)C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000625273401 1129796874 /nfs/dbraw/zinc/79/68/74/1129796874.db2.gz BYOHVIUJUREPTN-QWHCGFSZSA-N 1 2 344.377 3.607 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316809 1129823801 /nfs/dbraw/zinc/82/38/01/1129823801.db2.gz OGKXEAQLSYUFOV-IAGOWNOFSA-N 1 2 343.389 3.894 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316809 1129823804 /nfs/dbraw/zinc/82/38/04/1129823804.db2.gz OGKXEAQLSYUFOV-IAGOWNOFSA-N 1 2 343.389 3.894 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccco1 ZINC000625319898 1129825396 /nfs/dbraw/zinc/82/53/96/1129825396.db2.gz RINQDGXHHYHJCB-QZTJIDSGSA-N 1 2 348.487 3.517 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)cc3Cl)[nH+]c12 ZINC000673757484 1129831627 /nfs/dbraw/zinc/83/16/27/1129831627.db2.gz AZKDRKKWIFWERT-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3nc(C(C)C)cs3)[nH+]c12 ZINC000673757711 1129831686 /nfs/dbraw/zinc/83/16/86/1129831686.db2.gz FNKYNQDVBUIJGH-UHFFFAOYSA-N 1 2 343.456 3.587 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)C1CC(OCc2ccccc2)C1 ZINC000673794543 1129847236 /nfs/dbraw/zinc/84/72/36/1129847236.db2.gz KRXJABGCNKLXHR-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO COc1cncc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000625375224 1129849448 /nfs/dbraw/zinc/84/94/48/1129849448.db2.gz JVGGVSMBGTWVRP-AWEZNQCLSA-N 1 2 325.334 3.577 20 0 EHADLO OC[C@]1([N@H+](Cc2sccc2Cl)Cc2ccccc2)CCOC1 ZINC000625389679 1129853204 /nfs/dbraw/zinc/85/32/04/1129853204.db2.gz JHTGQRLMKQYALU-QGZVFWFLSA-N 1 2 337.872 3.555 20 0 EHADLO OC[C@]1([N@@H+](Cc2sccc2Cl)Cc2ccccc2)CCOC1 ZINC000625389679 1129853207 /nfs/dbraw/zinc/85/32/07/1129853207.db2.gz JHTGQRLMKQYALU-QGZVFWFLSA-N 1 2 337.872 3.555 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000282447959 1129864815 /nfs/dbraw/zinc/86/48/15/1129864815.db2.gz VJIHYSKIMLSDCE-FUHWJXTLSA-N 1 2 337.467 3.729 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000673975546 1129929477 /nfs/dbraw/zinc/92/94/77/1129929477.db2.gz DQPGJHBCJUUHGB-UHFFFAOYSA-N 1 2 331.504 3.858 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013013 1129959716 /nfs/dbraw/zinc/95/97/16/1129959716.db2.gz JFMLDELKSYDCKN-KXBFYZLASA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013013 1129959719 /nfs/dbraw/zinc/95/97/19/1129959719.db2.gz JFMLDELKSYDCKN-KXBFYZLASA-N 1 2 338.426 3.940 20 0 EHADLO COC(=O)c1coc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000171030828 1130001757 /nfs/dbraw/zinc/00/17/57/1130001757.db2.gz KXVNNBYXEIXUEN-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO COC(=O)c1coc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000171030828 1130001761 /nfs/dbraw/zinc/00/17/61/1130001761.db2.gz KXVNNBYXEIXUEN-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573196 1130037653 /nfs/dbraw/zinc/03/76/53/1130037653.db2.gz BMGRVUQPYHGBTB-GFCCVEGCSA-N 1 2 331.391 3.691 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000674307324 1130061899 /nfs/dbraw/zinc/06/18/99/1130061899.db2.gz OGPHZLVXNZASOP-UHFFFAOYSA-N 1 2 338.451 3.610 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335832 1130067194 /nfs/dbraw/zinc/06/71/94/1130067194.db2.gz RRWTWPNDRUSLGJ-AEFFLSMTSA-N 1 2 334.467 3.706 20 0 EHADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099604 1130105385 /nfs/dbraw/zinc/10/53/85/1130105385.db2.gz YSQAXCXIBDGCOZ-MSOLQXFVSA-N 1 2 340.471 3.694 20 0 EHADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099604 1130105387 /nfs/dbraw/zinc/10/53/87/1130105387.db2.gz YSQAXCXIBDGCOZ-MSOLQXFVSA-N 1 2 340.471 3.694 20 0 EHADLO CCCCc1noc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2CC)n1 ZINC000674871423 1130213330 /nfs/dbraw/zinc/21/33/30/1130213330.db2.gz XTBQFAIIUCTCJU-INIZCTEOSA-N 1 2 328.460 3.643 20 0 EHADLO CCCCc1noc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2CC)n1 ZINC000674871423 1130213335 /nfs/dbraw/zinc/21/33/35/1130213335.db2.gz XTBQFAIIUCTCJU-INIZCTEOSA-N 1 2 328.460 3.643 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675162840 1130268155 /nfs/dbraw/zinc/26/81/55/1130268155.db2.gz DGQBOEFPTPMNJN-LLVKDONJSA-N 1 2 342.349 3.764 20 0 EHADLO COc1ccc(COCC[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000675309496 1130310560 /nfs/dbraw/zinc/31/05/60/1130310560.db2.gz MMFWEDHHXKJOPQ-KXBFYZLASA-N 1 2 347.480 3.735 20 0 EHADLO COc1ccc(COCC[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000675309496 1130310567 /nfs/dbraw/zinc/31/05/67/1130310567.db2.gz MMFWEDHHXKJOPQ-KXBFYZLASA-N 1 2 347.480 3.735 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000766117759 1130331779 /nfs/dbraw/zinc/33/17/79/1130331779.db2.gz GUAPYVICIVGCJM-VXGBXAGGSA-N 1 2 348.434 3.657 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000766117759 1130331786 /nfs/dbraw/zinc/33/17/86/1130331786.db2.gz GUAPYVICIVGCJM-VXGBXAGGSA-N 1 2 348.434 3.657 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccsc1)c1ccccc1 ZINC000675620374 1130432066 /nfs/dbraw/zinc/43/20/66/1130432066.db2.gz IYYQXRBKJWLXHO-HNNXBMFYSA-N 1 2 326.425 3.587 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-c2ccco2)s1 ZINC000675800869 1130481492 /nfs/dbraw/zinc/48/14/92/1130481492.db2.gz CITCMLYKFQWECU-UHFFFAOYSA-N 1 2 327.409 3.635 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000675894315 1130497336 /nfs/dbraw/zinc/49/73/36/1130497336.db2.gz FFRKLVLYEVIQSP-DGCLKSJQSA-N 1 2 325.416 3.592 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000675930267 1130508631 /nfs/dbraw/zinc/50/86/31/1130508631.db2.gz QNKRHXCKJLNBDX-AEFFLSMTSA-N 1 2 348.450 3.590 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)CCOC(C)(C)C)nc(=O)c2c1C ZINC000676043285 1130522157 /nfs/dbraw/zinc/52/21/57/1130522157.db2.gz NWXYYJCXNLQXPD-LLVKDONJSA-N 1 2 337.489 3.822 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)CCOC(C)(C)C)nc(=O)c2c1C ZINC000676043285 1130522159 /nfs/dbraw/zinc/52/21/59/1130522159.db2.gz NWXYYJCXNLQXPD-LLVKDONJSA-N 1 2 337.489 3.822 20 0 EHADLO CCCCC[C@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048216 1130523736 /nfs/dbraw/zinc/52/37/36/1130523736.db2.gz BOICYDOORWLCRC-SFHVURJKSA-N 1 2 342.487 3.940 20 0 EHADLO Cc1cc(F)cc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1 ZINC000706015625 1130551145 /nfs/dbraw/zinc/55/11/45/1130551145.db2.gz KZLWWZMRZLLSOU-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO Cc1cscc1-c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000706101577 1130555396 /nfs/dbraw/zinc/55/53/96/1130555396.db2.gz SVLAIOLXOZHDHQ-SWLSCSKDSA-N 1 2 329.425 3.712 20 0 EHADLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000676390909 1130570658 /nfs/dbraw/zinc/57/06/58/1130570658.db2.gz DWGPUVXASMHXRD-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000676390909 1130570660 /nfs/dbraw/zinc/57/06/60/1130570660.db2.gz DWGPUVXASMHXRD-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535277441 1130588863 /nfs/dbraw/zinc/58/88/63/1130588863.db2.gz ZCSVKCZAMUIWLU-HNNXBMFYSA-N 1 2 343.496 3.666 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535277441 1130588866 /nfs/dbraw/zinc/58/88/66/1130588866.db2.gz ZCSVKCZAMUIWLU-HNNXBMFYSA-N 1 2 343.496 3.666 20 0 EHADLO COc1cccc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c1OC(C)C ZINC000536023732 1130592278 /nfs/dbraw/zinc/59/22/78/1130592278.db2.gz WZFCVTWZDHBDCV-IBGZPJMESA-N 1 2 340.467 3.759 20 0 EHADLO COc1cccc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c1OC(C)C ZINC000536023732 1130592281 /nfs/dbraw/zinc/59/22/81/1130592281.db2.gz WZFCVTWZDHBDCV-IBGZPJMESA-N 1 2 340.467 3.759 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000727842801 1130601373 /nfs/dbraw/zinc/60/13/73/1130601373.db2.gz FXQVODAVKJIPGW-LJQANCHMSA-N 1 2 348.450 3.693 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)NCC1CCC1 ZINC000731213989 1130777314 /nfs/dbraw/zinc/77/73/14/1130777314.db2.gz MAWLEDUMEHKMNL-INIZCTEOSA-N 1 2 340.389 3.759 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)NCC1CCC1 ZINC000731213989 1130777321 /nfs/dbraw/zinc/77/73/21/1130777321.db2.gz MAWLEDUMEHKMNL-INIZCTEOSA-N 1 2 340.389 3.759 20 0 EHADLO CCCC[C@H](CC)CCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001273238459 1130779496 /nfs/dbraw/zinc/77/94/96/1130779496.db2.gz DHLIKTKMNKUTFO-KRWDZBQOSA-N 1 2 331.504 3.656 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731399106 1130796310 /nfs/dbraw/zinc/79/63/10/1130796310.db2.gz BBGHYVMBKBVOPN-NZSAHSFTSA-N 1 2 347.503 3.524 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2ccc(Cl)nc2)C2CC2)c1 ZINC000731751875 1130841534 /nfs/dbraw/zinc/84/15/34/1130841534.db2.gz HYEIBELVMSDCST-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(Cl)nc2)C2CC2)c1 ZINC000731751875 1130841542 /nfs/dbraw/zinc/84/15/42/1130841542.db2.gz HYEIBELVMSDCST-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(COC(C)C)no1)c1ccc(Cl)s1 ZINC001119811413 1130848112 /nfs/dbraw/zinc/84/81/12/1130848112.db2.gz XWLOYPLFSINJLS-JTQLQIEISA-N 1 2 329.853 3.950 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C(\C)c2cccc(F)c2)c1C ZINC000731982408 1130872746 /nfs/dbraw/zinc/87/27/46/1130872746.db2.gz SLSWVTFIGDBDBP-XYOKQWHBSA-N 1 2 328.387 3.566 20 0 EHADLO C[N@H+](C[C@H]1CC1(Cl)Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410971 1130924990 /nfs/dbraw/zinc/92/49/90/1130924990.db2.gz OZPALZUASVMFGB-MFKMUULPSA-N 1 2 347.673 3.571 20 0 EHADLO C[N@@H+](C[C@H]1CC1(Cl)Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410971 1130924994 /nfs/dbraw/zinc/92/49/94/1130924994.db2.gz OZPALZUASVMFGB-MFKMUULPSA-N 1 2 347.673 3.571 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1c(C)nn(C)c1C ZINC000347949043 1131101213 /nfs/dbraw/zinc/10/12/13/1131101213.db2.gz APNGHLYOJZWOPD-BBRMVZONSA-N 1 2 339.443 3.889 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000626093556 1131153168 /nfs/dbraw/zinc/15/31/68/1131153168.db2.gz DLCPGEOCGMUBCN-MTFMMBMASA-N 1 2 337.467 3.877 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000626093451 1131153516 /nfs/dbraw/zinc/15/35/16/1131153516.db2.gz BEYINWHDFPCUGI-HNAYVOBHSA-N 1 2 329.488 3.899 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c(C)o1 ZINC000626102162 1131155516 /nfs/dbraw/zinc/15/55/16/1131155516.db2.gz XGGJHHSZTYCPLB-AWEZNQCLSA-N 1 2 329.227 3.812 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3nc4ccccc4nc3C)CCO2)c1 ZINC000177911045 1131225445 /nfs/dbraw/zinc/22/54/45/1131225445.db2.gz QWSQLGCNKVGDAW-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3nc4ccccc4nc3C)CCO2)c1 ZINC000177911045 1131225449 /nfs/dbraw/zinc/22/54/49/1131225449.db2.gz QWSQLGCNKVGDAW-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1nc2c(s1)CCCC2 ZINC000736355185 1131418326 /nfs/dbraw/zinc/41/83/26/1131418326.db2.gz GXZZPELYTVYZRU-GFCCVEGCSA-N 1 2 330.453 3.644 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000738283863 1131465548 /nfs/dbraw/zinc/46/55/48/1131465548.db2.gz HJCRIWULXSPKQD-ZDUSSCGKSA-N 1 2 349.459 3.643 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000738283863 1131465550 /nfs/dbraw/zinc/46/55/50/1131465550.db2.gz HJCRIWULXSPKQD-ZDUSSCGKSA-N 1 2 349.459 3.643 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCSC[C@@H]1c1ccccc1 ZINC000738949362 1131490550 /nfs/dbraw/zinc/49/05/50/1131490550.db2.gz MOQLXBMWBFGRBQ-MRXNPFEDSA-N 1 2 338.436 3.656 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861423 1131549456 /nfs/dbraw/zinc/54/94/56/1131549456.db2.gz WQHLLGMFOBYIBZ-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861423 1131549462 /nfs/dbraw/zinc/54/94/62/1131549462.db2.gz WQHLLGMFOBYIBZ-KGLIPLIRSA-N 1 2 331.489 3.574 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)cc1OC ZINC000740861651 1131549790 /nfs/dbraw/zinc/54/97/90/1131549790.db2.gz XIPABOPLIKHUPR-VXGBXAGGSA-N 1 2 349.456 3.578 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)cc1OC ZINC000740861651 1131549795 /nfs/dbraw/zinc/54/97/95/1131549795.db2.gz XIPABOPLIKHUPR-VXGBXAGGSA-N 1 2 349.456 3.578 20 0 EHADLO O=C(OCc1cccnc1Cl)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741352771 1131598176 /nfs/dbraw/zinc/59/81/76/1131598176.db2.gz KIKZOKKKGUFNPY-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1cccnc1Cl)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741352771 1131598178 /nfs/dbraw/zinc/59/81/78/1131598178.db2.gz KIKZOKKKGUFNPY-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO Cn1cc(-c2cccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2)cn1 ZINC000741542196 1131617375 /nfs/dbraw/zinc/61/73/75/1131617375.db2.gz XROVHJJASKXELH-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=S)NC(C)(C)C)CC1 ZINC000741877127 1131663535 /nfs/dbraw/zinc/66/35/35/1131663535.db2.gz XBHMCVYSXCLQBY-ZDUSSCGKSA-N 1 2 339.936 3.692 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCSc2ccccc21 ZINC000741911817 1131667215 /nfs/dbraw/zinc/66/72/15/1131667215.db2.gz KRXSVCPZRMAKTP-SFHVURJKSA-N 1 2 349.459 3.768 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000742015132 1131680458 /nfs/dbraw/zinc/68/04/58/1131680458.db2.gz ZDDLMWXOWPXQIX-SEWDUPMJSA-N 1 2 332.875 3.902 20 0 EHADLO CC(C)(C)c1nn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)o1 ZINC000742165250 1131691812 /nfs/dbraw/zinc/69/18/12/1131691812.db2.gz JAKANBQRHZKQGI-AWEZNQCLSA-N 1 2 339.505 3.884 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)o1 ZINC000742165250 1131691815 /nfs/dbraw/zinc/69/18/15/1131691815.db2.gz JAKANBQRHZKQGI-AWEZNQCLSA-N 1 2 339.505 3.884 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153449 1131693988 /nfs/dbraw/zinc/69/39/88/1131693988.db2.gz PNFSXXWPXGKECR-OLZOCXBDSA-N 1 2 328.485 3.784 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153449 1131693990 /nfs/dbraw/zinc/69/39/90/1131693990.db2.gz PNFSXXWPXGKECR-OLZOCXBDSA-N 1 2 328.485 3.784 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000742576271 1131753094 /nfs/dbraw/zinc/75/30/94/1131753094.db2.gz ZWSFLIDAGDILKM-OAHLLOKOSA-N 1 2 339.395 3.606 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000742610619 1131759916 /nfs/dbraw/zinc/75/99/16/1131759916.db2.gz MZMDGFAALCNGHJ-IBGZPJMESA-N 1 2 326.525 3.600 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000742610619 1131759922 /nfs/dbraw/zinc/75/99/22/1131759922.db2.gz MZMDGFAALCNGHJ-IBGZPJMESA-N 1 2 326.525 3.600 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000742642254 1131765107 /nfs/dbraw/zinc/76/51/07/1131765107.db2.gz FKCAYSLGOFBXDA-LMMKCTJWSA-N 1 2 326.525 3.599 20 0 EHADLO CCCCCC[C@H](CCCC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172517140 1131765609 /nfs/dbraw/zinc/76/56/09/1131765609.db2.gz OJUBGHPBJQPMJJ-WMZOPIPTSA-N 1 2 337.508 3.623 20 0 EHADLO CCCCCC[C@H](CCCC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172517140 1131765616 /nfs/dbraw/zinc/76/56/16/1131765616.db2.gz OJUBGHPBJQPMJJ-WMZOPIPTSA-N 1 2 337.508 3.623 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001172574668 1131779659 /nfs/dbraw/zinc/77/96/59/1131779659.db2.gz RYFOPVGARXKPTJ-YPMHNXCESA-N 1 2 346.824 3.667 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001172574668 1131779666 /nfs/dbraw/zinc/77/96/66/1131779666.db2.gz RYFOPVGARXKPTJ-YPMHNXCESA-N 1 2 346.824 3.667 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001172574668 1131779672 /nfs/dbraw/zinc/77/96/72/1131779672.db2.gz RYFOPVGARXKPTJ-YPMHNXCESA-N 1 2 346.824 3.667 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721080 1131822076 /nfs/dbraw/zinc/82/20/76/1131822076.db2.gz BKZJBRFIVQUFRS-QGZVFWFLSA-N 1 2 349.883 3.934 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721080 1131822089 /nfs/dbraw/zinc/82/20/89/1131822089.db2.gz BKZJBRFIVQUFRS-QGZVFWFLSA-N 1 2 349.883 3.934 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2nccs2)CC1 ZINC001172845995 1131868078 /nfs/dbraw/zinc/86/80/78/1131868078.db2.gz AGHCQCUAOPUJMC-LBPRGKRZSA-N 1 2 339.867 3.689 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000743351896 1131896768 /nfs/dbraw/zinc/89/67/68/1131896768.db2.gz UOBJSAKGMMCTTH-LLVKDONJSA-N 1 2 325.840 3.629 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000743351896 1131896776 /nfs/dbraw/zinc/89/67/76/1131896776.db2.gz UOBJSAKGMMCTTH-LLVKDONJSA-N 1 2 325.840 3.629 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)C[C@H](C)S1 ZINC000743374561 1131903295 /nfs/dbraw/zinc/90/32/95/1131903295.db2.gz HWJBXONHPJJLGQ-GASCZTMLSA-N 1 2 333.526 3.851 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ccn(Cc3ccccc3)c2=S)C[C@H](C)S1 ZINC000743374561 1131903303 /nfs/dbraw/zinc/90/33/03/1131903303.db2.gz HWJBXONHPJJLGQ-GASCZTMLSA-N 1 2 333.526 3.851 20 0 EHADLO Cc1ccc(CC[N@@H+](Cc2ccco2)CN2CCSC2=S)cc1 ZINC000743385390 1131907226 /nfs/dbraw/zinc/90/72/26/1131907226.db2.gz MPHNGFRSNVTWIX-UHFFFAOYSA-N 1 2 346.521 3.924 20 0 EHADLO Cc1ccc(CC[N@H+](Cc2ccco2)CN2CCSC2=S)cc1 ZINC000743385390 1131907230 /nfs/dbraw/zinc/90/72/30/1131907230.db2.gz MPHNGFRSNVTWIX-UHFFFAOYSA-N 1 2 346.521 3.924 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397996 1131911137 /nfs/dbraw/zinc/91/11/37/1131911137.db2.gz FJVVCLAKOKSVKT-JKSUJKDBSA-N 1 2 348.541 3.967 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000743397996 1131911140 /nfs/dbraw/zinc/91/11/40/1131911140.db2.gz FJVVCLAKOKSVKT-JKSUJKDBSA-N 1 2 348.541 3.967 20 0 EHADLO COc1ccc(NC(C)=O)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212696719 1131918862 /nfs/dbraw/zinc/91/88/62/1131918862.db2.gz HPEZNXMKGODDGP-UHFFFAOYSA-N 1 2 336.395 3.642 20 0 EHADLO O=c1[nH]cc(-c2ccncc2)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694063 1131922776 /nfs/dbraw/zinc/92/27/76/1131922776.db2.gz IDOGMTVJMMHVIQ-UHFFFAOYSA-N 1 2 343.390 3.838 20 0 EHADLO FC(F)(F)Oc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC001212694926 1131924573 /nfs/dbraw/zinc/92/45/73/1131924573.db2.gz DXOZNUGDPOHWQI-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO CC1(C)c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2CNC1=O ZINC001212699232 1131933592 /nfs/dbraw/zinc/93/35/92/1131933592.db2.gz VJWKTTWIPXSGGH-UHFFFAOYSA-N 1 2 346.434 3.582 20 0 EHADLO OCCc1ccc2c(c1)O[C@@H]([NH2+]C1CCC3(CCCCC3)CC1)O2 ZINC001173119187 1131972904 /nfs/dbraw/zinc/97/29/04/1131972904.db2.gz ZOTUIQDUDGNVJE-IBGZPJMESA-N 1 2 331.456 3.759 20 0 EHADLO CCc1ccc(C[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C)cc1 ZINC001173242538 1132030777 /nfs/dbraw/zinc/03/07/77/1132030777.db2.gz VPFCTTBTDPKONH-YJBOKZPZSA-N 1 2 337.529 3.843 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443717 1132100635 /nfs/dbraw/zinc/10/06/35/1132100635.db2.gz NFJCJWMKOXNQOU-YPMHNXCESA-N 1 2 337.880 3.530 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443717 1132100640 /nfs/dbraw/zinc/10/06/40/1132100640.db2.gz NFJCJWMKOXNQOU-YPMHNXCESA-N 1 2 337.880 3.530 20 0 EHADLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1F ZINC001173861720 1132157864 /nfs/dbraw/zinc/15/78/64/1132157864.db2.gz QMGTWPMLLJLGQW-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000745087790 1132190956 /nfs/dbraw/zinc/19/09/56/1132190956.db2.gz RVBXVICPTQRQCN-INIZCTEOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000745087790 1132190959 /nfs/dbraw/zinc/19/09/59/1132190959.db2.gz RVBXVICPTQRQCN-INIZCTEOSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084437 1132195059 /nfs/dbraw/zinc/19/50/59/1132195059.db2.gz TYPGXRVATKBXPY-CRAIPNDOSA-N 1 2 346.471 3.555 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084437 1132195063 /nfs/dbraw/zinc/19/50/63/1132195063.db2.gz TYPGXRVATKBXPY-CRAIPNDOSA-N 1 2 346.471 3.555 20 0 EHADLO O=C(OCc1cccc(Cl)n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104979 1132198961 /nfs/dbraw/zinc/19/89/61/1132198961.db2.gz PPZIWVMFGIULFQ-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1cccc(Cl)n1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104979 1132198965 /nfs/dbraw/zinc/19/89/65/1132198965.db2.gz PPZIWVMFGIULFQ-QGZVFWFLSA-N 1 2 344.842 3.833 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001174053352 1132209027 /nfs/dbraw/zinc/20/90/27/1132209027.db2.gz KBTWTYAIZJPVMF-UHFFFAOYSA-N 1 2 333.775 3.757 20 0 EHADLO NC(=O)c1cccc(Nc2cc[nH+]c3cc(Br)ccc23)c1 ZINC001174058601 1132211496 /nfs/dbraw/zinc/21/14/96/1132211496.db2.gz SGTJMXKLKYPZIO-UHFFFAOYSA-N 1 2 342.196 3.840 20 0 EHADLO COc1ccc2cc(Nc3ccc(N4CC[C@H](O)C4)[nH+]c3)ccc2c1 ZINC001174031209 1132220779 /nfs/dbraw/zinc/22/07/79/1132220779.db2.gz WQIKCDYKHJBVBL-SFHVURJKSA-N 1 2 335.407 3.558 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc(CO)c3Cl)c[nH+]2)C[C@H](C)O1 ZINC001212761078 1132225146 /nfs/dbraw/zinc/22/51/46/1132225146.db2.gz ZSPPSSXGGGOYHJ-BETUJISGSA-N 1 2 347.846 3.585 20 0 EHADLO COc1cncc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)c1 ZINC001174090391 1132243286 /nfs/dbraw/zinc/24/32/86/1132243286.db2.gz PQDRZMGXSXDUDI-UHFFFAOYSA-N 1 2 347.216 3.861 20 0 EHADLO O=C(NCc1ccco1)c1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001174200690 1132281949 /nfs/dbraw/zinc/28/19/49/1132281949.db2.gz SZIOEBUILBGVDE-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO Cc1ccc2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cccc2[nH+]1 ZINC001174258973 1132303680 /nfs/dbraw/zinc/30/36/80/1132303680.db2.gz ISZPMVAYPQHPDZ-UHFFFAOYSA-N 1 2 341.436 3.537 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3ccc4n[nH]cc4c3)cn12 ZINC001174274425 1132308660 /nfs/dbraw/zinc/30/86/60/1132308660.db2.gz VYDIHOBWVWJCGM-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1SC(F)(F)F ZINC000745946433 1132334582 /nfs/dbraw/zinc/33/45/82/1132334582.db2.gz FDMNYVMJMWFHPH-TXEJJXNPSA-N 1 2 333.375 3.670 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1SC(F)(F)F ZINC000745946433 1132334590 /nfs/dbraw/zinc/33/45/90/1132334590.db2.gz FDMNYVMJMWFHPH-TXEJJXNPSA-N 1 2 333.375 3.670 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cc(Br)nn3C)ccc21 ZINC001174382082 1132344826 /nfs/dbraw/zinc/34/48/26/1132344826.db2.gz XENVFPYKCBALBI-UHFFFAOYSA-N 1 2 334.221 3.857 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccnn3C3CCOCC3)ccc21 ZINC001174382374 1132345328 /nfs/dbraw/zinc/34/53/28/1132345328.db2.gz NAXQUDVAHOJSNX-UHFFFAOYSA-N 1 2 325.416 3.909 20 0 EHADLO c1cc2c(cccc2Nc2ccc(OCC[NH+]3CCOCC3)cc2)o1 ZINC001174433919 1132354221 /nfs/dbraw/zinc/35/42/21/1132354221.db2.gz WVLUAPIUWNNDIZ-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO CCS(=O)(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001174461878 1132376317 /nfs/dbraw/zinc/37/63/17/1132376317.db2.gz XUAXWABLIYZWMU-UHFFFAOYSA-N 1 2 346.839 3.847 20 0 EHADLO COC(=O)Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522936 1132400454 /nfs/dbraw/zinc/40/04/54/1132400454.db2.gz FCERXEWBOBMOAH-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO Cc1cnn(Cc2ccncc2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523737 1132400672 /nfs/dbraw/zinc/40/06/72/1132400672.db2.gz YLRBIESDIIKWRR-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1F ZINC001174522787 1132400684 /nfs/dbraw/zinc/40/06/84/1132400684.db2.gz CEXXCIRAPAHUFF-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO COC(=O)Cc1ccc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524270 1132401144 /nfs/dbraw/zinc/40/11/44/1132401144.db2.gz CKBWWGLWEHTZMS-UHFFFAOYSA-N 1 2 343.402 3.670 20 0 EHADLO c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(N2CCOCC2)c1 ZINC001174524461 1132401639 /nfs/dbraw/zinc/40/16/39/1132401639.db2.gz KXMPSQBHQUOZOY-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCC1 ZINC000041333885 1132427754 /nfs/dbraw/zinc/42/77/54/1132427754.db2.gz OSCOXFRFXQEEQG-RUJXFNLJSA-N 1 2 326.484 3.670 20 0 EHADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000189193205 1132443050 /nfs/dbraw/zinc/44/30/50/1132443050.db2.gz ISOVGOQLQNFKMC-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000189193205 1132443053 /nfs/dbraw/zinc/44/30/53/1132443053.db2.gz ISOVGOQLQNFKMC-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000189270427 1132443177 /nfs/dbraw/zinc/44/31/77/1132443177.db2.gz LYZKDWLLHKCTDR-UHFFFAOYSA-N 1 2 346.390 3.713 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000189270427 1132443179 /nfs/dbraw/zinc/44/31/79/1132443179.db2.gz LYZKDWLLHKCTDR-UHFFFAOYSA-N 1 2 346.390 3.713 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193683171 1132482901 /nfs/dbraw/zinc/48/29/01/1132482901.db2.gz RCXGMXSQYCALIC-UHFFFAOYSA-N 1 2 327.472 3.734 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193683171 1132482906 /nfs/dbraw/zinc/48/29/06/1132482906.db2.gz RCXGMXSQYCALIC-UHFFFAOYSA-N 1 2 327.472 3.734 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(=CNc2cccn3cc[nH+]c23)CC1 ZINC001174845021 1132483876 /nfs/dbraw/zinc/48/38/76/1132483876.db2.gz QMTXPRBYPCXQHY-UHFFFAOYSA-N 1 2 328.416 3.661 20 0 EHADLO COc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(OC)c1OC ZINC001174897559 1132497538 /nfs/dbraw/zinc/49/75/38/1132497538.db2.gz VCAIGOKHXWZANV-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO Nc1cc(Cl)c(Cl)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975734 1132510430 /nfs/dbraw/zinc/51/04/30/1132510430.db2.gz BJIUHSALHMWAPL-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)[nH]2)cc1 ZINC000766382098 1132523879 /nfs/dbraw/zinc/52/38/79/1132523879.db2.gz PMKYTLSMCPZPDJ-OLZOCXBDSA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)[nH]2)cc1 ZINC000766382098 1132523885 /nfs/dbraw/zinc/52/38/85/1132523885.db2.gz PMKYTLSMCPZPDJ-OLZOCXBDSA-N 1 2 332.473 3.552 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC001174979719 1132533917 /nfs/dbraw/zinc/53/39/17/1132533917.db2.gz SEOMAXPAZKAIOS-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO CC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC001174979680 1132534145 /nfs/dbraw/zinc/53/41/45/1132534145.db2.gz QOOHVFAJCOLQKM-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CCOc1ccc(F)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175081093 1132561910 /nfs/dbraw/zinc/56/19/10/1132561910.db2.gz BKBZOQCNGZAIRK-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC001175080395 1132561938 /nfs/dbraw/zinc/56/19/38/1132561938.db2.gz WDQQFXFKIZQCFF-CYBMUJFWSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@H+](C[C@H]1CCCCO1)C2 ZINC001175080395 1132561944 /nfs/dbraw/zinc/56/19/44/1132561944.db2.gz WDQQFXFKIZQCFF-CYBMUJFWSA-N 1 2 328.225 3.515 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cc(F)c(F)cc3F)c[nH+]2)C[C@H](C)O1 ZINC001175085563 1132564010 /nfs/dbraw/zinc/56/40/10/1132564010.db2.gz FRJOFKAXVKUDGQ-PHIMTYICSA-N 1 2 337.345 3.856 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3cccc(Cl)c3F)CC2)c1 ZINC001168875137 1132594473 /nfs/dbraw/zinc/59/44/73/1132594473.db2.gz XSAACSYPMXHMPU-UHFFFAOYSA-N 1 2 336.813 3.936 20 0 EHADLO CCOc1cc(F)ccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175290937 1132614689 /nfs/dbraw/zinc/61/46/89/1132614689.db2.gz JCWNPSQFQWEQTH-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO CN(C)c1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)c[nH+]1 ZINC001175343428 1132628089 /nfs/dbraw/zinc/62/80/89/1132628089.db2.gz IGXHBCMWRDYPJD-HNNXBMFYSA-N 1 2 331.391 3.588 20 0 EHADLO COc1ccc(-n2ncc(C)c2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175347092 1132628974 /nfs/dbraw/zinc/62/89/74/1132628974.db2.gz AZASLPKJAQAYSG-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO c1c(CCNc2cc[nH+]c(OCc3ccccc3)c2)nc2ccccn12 ZINC001169005610 1132630038 /nfs/dbraw/zinc/63/00/38/1132630038.db2.gz UZDMKFZCANKCTL-UHFFFAOYSA-N 1 2 344.418 3.963 20 0 EHADLO Nc1ccc(OC(F)(F)F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350477 1132645533 /nfs/dbraw/zinc/64/55/33/1132645533.db2.gz ZMJIVBXJSIVWRQ-UHFFFAOYSA-N 1 2 338.333 3.906 20 0 EHADLO Oc1cccc(Br)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351520 1132645598 /nfs/dbraw/zinc/64/55/98/1132645598.db2.gz HBCLHPDTJHQMFY-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO Cn1ncc2cccc(Nc3ccc4[nH+]cc(Br)n4c3)c21 ZINC001175440986 1132671271 /nfs/dbraw/zinc/67/12/71/1132671271.db2.gz PWKNZFPLIFILNX-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2n[nH]cc2c1C ZINC001175465891 1132673630 /nfs/dbraw/zinc/67/36/30/1132673630.db2.gz NTSZPNCEWQWUHV-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001169158012 1132681500 /nfs/dbraw/zinc/68/15/00/1132681500.db2.gz DPRCJXMJUSVLMZ-GHTZIAJQSA-N 1 2 349.409 3.551 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)C1(c2ccccc2F)CC1 ZINC001169157845 1132681599 /nfs/dbraw/zinc/68/15/99/1132681599.db2.gz AQCZFTMZRNNQFH-UHFFFAOYSA-N 1 2 349.409 3.537 20 0 EHADLO Cn1cc2c(cccc2Nc2cc(Br)cn3cc[nH+]c23)n1 ZINC001175589498 1132706069 /nfs/dbraw/zinc/70/60/69/1132706069.db2.gz RVEJGBPEUWKPJD-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)CC2 ZINC001175576356 1132714625 /nfs/dbraw/zinc/71/46/25/1132714625.db2.gz CCVZXRIOJXVPDB-AWEZNQCLSA-N 1 2 346.902 3.796 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)CC2 ZINC001175576356 1132714632 /nfs/dbraw/zinc/71/46/32/1132714632.db2.gz CCVZXRIOJXVPDB-AWEZNQCLSA-N 1 2 346.902 3.796 20 0 EHADLO CC1(C)Oc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2O1 ZINC001175712592 1132740053 /nfs/dbraw/zinc/74/00/53/1132740053.db2.gz DUWOFFKAKLNWOF-UHFFFAOYSA-N 1 2 325.290 3.934 20 0 EHADLO COCCOc1c(F)cccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713879 1132740099 /nfs/dbraw/zinc/74/00/99/1132740099.db2.gz NZHOULVXDPRNCE-UHFFFAOYSA-N 1 2 345.296 3.591 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnc(-c3ccccc3)cn2)c[nH+]1 ZINC001175710121 1132755650 /nfs/dbraw/zinc/75/56/50/1132755650.db2.gz UFSXWIQLDKDTIZ-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3nnc(C4CCC4)n3c2)c[nH+]1 ZINC001175710654 1132755734 /nfs/dbraw/zinc/75/57/34/1132755734.db2.gz HWIIISJKGLXSSP-UHFFFAOYSA-N 1 2 348.332 3.736 20 0 EHADLO c1c(Nc2cccc(C[NH+]3CCOCC3)c2)onc1C1CCCC1 ZINC001175857457 1132784905 /nfs/dbraw/zinc/78/49/05/1132784905.db2.gz AFSUUAHIJMZQDT-UHFFFAOYSA-N 1 2 327.428 3.908 20 0 EHADLO Fc1ccc2nc(Nc3cccc(C[NH+]4CCOCC4)c3)oc2c1 ZINC001175858412 1132785659 /nfs/dbraw/zinc/78/56/59/1132785659.db2.gz IETWSFDZPUUDFX-UHFFFAOYSA-N 1 2 327.359 3.543 20 0 EHADLO Oc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)c(F)cc1Cl ZINC001175859261 1132785783 /nfs/dbraw/zinc/78/57/83/1132785783.db2.gz CSUBQEAIEBXJEE-UHFFFAOYSA-N 1 2 336.794 3.761 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)c2ccc(F)cc2)c1C ZINC000103312079 1132793888 /nfs/dbraw/zinc/79/38/88/1132793888.db2.gz KPYHOKLKCQYWBG-UHFFFAOYSA-N 1 2 345.418 3.581 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804332849 1132807703 /nfs/dbraw/zinc/80/77/03/1132807703.db2.gz CMYKKOBJEFLGTN-GOSISDBHSA-N 1 2 339.483 3.635 20 0 EHADLO c1c[nH+]c(Nc2cccc(N3CCOCC3)c2)c(N2CCCCC2)c1 ZINC001176016860 1132821028 /nfs/dbraw/zinc/82/10/28/1132821028.db2.gz CWEGUFKSARXWNL-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO Clc1cc(Nc2cccc(N3CCOCC3)c2)cn2cc[nH+]c12 ZINC001176018239 1132821700 /nfs/dbraw/zinc/82/17/00/1132821700.db2.gz XQORZFAOTOAACG-UHFFFAOYSA-N 1 2 328.803 3.568 20 0 EHADLO CCOC(=O)c1coc(-c2cccc(Nc3c[nH+]ccc3OC)c2)n1 ZINC001176123987 1132853598 /nfs/dbraw/zinc/85/35/98/1132853598.db2.gz GNCAPCAYDMDCPZ-UHFFFAOYSA-N 1 2 339.351 3.666 20 0 EHADLO CC(C)(C)OC(=O)N(CCC[N@H+](CC(F)F)C1CCC1)C1CC1 ZINC001176193181 1132862788 /nfs/dbraw/zinc/86/27/88/1132862788.db2.gz KYEANFIVGZHIHA-UHFFFAOYSA-N 1 2 332.435 3.896 20 0 EHADLO CC(C)(C)OC(=O)N(CCC[N@@H+](CC(F)F)C1CCC1)C1CC1 ZINC001176193181 1132862796 /nfs/dbraw/zinc/86/27/96/1132862796.db2.gz KYEANFIVGZHIHA-UHFFFAOYSA-N 1 2 332.435 3.896 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NC[C@H](CO)Cc2ccccc2)c1C ZINC001169898633 1132890460 /nfs/dbraw/zinc/89/04/60/1132890460.db2.gz VUZLNDDCCRBCAO-QGZVFWFLSA-N 1 2 327.472 3.654 20 0 EHADLO Fc1cc2c(cc1Br)C[N@H+](CCc1cscn1)CC2 ZINC001176452637 1132937870 /nfs/dbraw/zinc/93/78/70/1132937870.db2.gz LNBOJGSUHWVASA-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO Fc1cc2c(cc1Br)C[N@@H+](CCc1cscn1)CC2 ZINC001176452637 1132937873 /nfs/dbraw/zinc/93/78/73/1132937873.db2.gz LNBOJGSUHWVASA-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(F)c(C(=O)N(CC)CC)c1 ZINC001176513737 1132954522 /nfs/dbraw/zinc/95/45/22/1132954522.db2.gz BDEVOLXIOJMUCS-UHFFFAOYSA-N 1 2 331.391 3.845 20 0 EHADLO Cc1nc(Nc2cc(O)cc(Cl)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176622214 1132973137 /nfs/dbraw/zinc/97/31/37/1132973137.db2.gz ODEREQIOGXQVBG-PHIMTYICSA-N 1 2 348.834 3.501 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)c(Br)cn1 ZINC001176749745 1132992245 /nfs/dbraw/zinc/99/22/45/1132992245.db2.gz IWNMLYAFZMNEDG-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COc1cc(Br)nc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749010 1132992338 /nfs/dbraw/zinc/99/23/38/1132992338.db2.gz ODPKBOQAADUXTF-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COc1ccccc1-n1nccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749901 1132992808 /nfs/dbraw/zinc/99/28/08/1132992808.db2.gz NCYJSSSTJDBVAR-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1C[C@@H](C)C1CCCCC1 ZINC001176761300 1132999315 /nfs/dbraw/zinc/99/93/15/1132999315.db2.gz VMTUHKVWHZOSGL-BEFAXECRSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](C)C1CCCCC1 ZINC001176761300 1132999320 /nfs/dbraw/zinc/99/93/20/1132999320.db2.gz VMTUHKVWHZOSGL-BEFAXECRSA-N 1 2 331.456 3.812 20 0 EHADLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2cccnc2Cl)CC1 ZINC001176897748 1133013131 /nfs/dbraw/zinc/01/31/31/1133013131.db2.gz OCUWWYKPOWUPCM-UHFFFAOYSA-N 1 2 346.805 3.536 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000767762472 1133049409 /nfs/dbraw/zinc/04/94/09/1133049409.db2.gz WCSMUUZQRUXASM-KRWDZBQOSA-N 1 2 331.504 3.933 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000767762472 1133049415 /nfs/dbraw/zinc/04/94/15/1133049415.db2.gz WCSMUUZQRUXASM-KRWDZBQOSA-N 1 2 331.504 3.933 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+](C)CCOC(C)(C)C)c2=S)c1 ZINC000767772103 1133051632 /nfs/dbraw/zinc/05/16/32/1133051632.db2.gz OSYSPFPCWOEFOF-UHFFFAOYSA-N 1 2 349.500 3.721 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+](C)CCOC(C)(C)C)c2=S)c1 ZINC000767772103 1133051636 /nfs/dbraw/zinc/05/16/36/1133051636.db2.gz OSYSPFPCWOEFOF-UHFFFAOYSA-N 1 2 349.500 3.721 20 0 EHADLO Cc1ccccc1-c1noc(CSCc2cc[nH+]c(N(C)C)c2)n1 ZINC000767871544 1133065729 /nfs/dbraw/zinc/06/57/29/1133065729.db2.gz NWZZJLKPTPNXDB-UHFFFAOYSA-N 1 2 340.452 3.939 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767941443 1133073280 /nfs/dbraw/zinc/07/32/80/1133073280.db2.gz WKFUZUONEGCTQK-DYVFJYSZSA-N 1 2 333.476 3.817 20 0 EHADLO O=C(Nc1cccc(F)n1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000768129077 1133099444 /nfs/dbraw/zinc/09/94/44/1133099444.db2.gz AYUYSWFKSNQWEC-UHFFFAOYSA-N 1 2 349.369 3.780 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cnc1Cl ZINC000768251167 1133117124 /nfs/dbraw/zinc/11/71/24/1133117124.db2.gz IVKJKURZUBHYGK-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO CC(=O)c1ccc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)cc1 ZINC001177996740 1133122023 /nfs/dbraw/zinc/12/20/23/1133122023.db2.gz LSOIHVSJJYZKAS-UHFFFAOYSA-N 1 2 349.390 3.976 20 0 EHADLO O=C(/C(F)=C\C1CCCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178094375 1133135272 /nfs/dbraw/zinc/13/52/72/1133135272.db2.gz GIXVMKWHRPZIJE-SAPNQHFASA-N 1 2 331.435 3.918 20 0 EHADLO O=c1[nH]c2cc(F)ccc2cc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC001178132083 1133138875 /nfs/dbraw/zinc/13/88/75/1133138875.db2.gz JCWXLGPEPAFFGS-UHFFFAOYSA-N 1 2 334.354 3.877 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)CCN1C(=O)OC(C)(C)C ZINC001204214132 1133155554 /nfs/dbraw/zinc/15/55/54/1133155554.db2.gz HZJUXZQOUXZUDV-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)CCN1C(=O)OC(C)(C)C ZINC001204214132 1133155557 /nfs/dbraw/zinc/15/55/57/1133155557.db2.gz HZJUXZQOUXZUDV-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H](C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C)[NH+]1CCSCC1 ZINC001178500334 1133170188 /nfs/dbraw/zinc/17/01/88/1133170188.db2.gz XYKSVKMDKLYCML-UONOGXRCSA-N 1 2 332.513 3.847 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC001204220660 1133182540 /nfs/dbraw/zinc/18/25/40/1133182540.db2.gz SJSQGISNEBNJCY-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000768890403 1133197168 /nfs/dbraw/zinc/19/71/68/1133197168.db2.gz RGIRIYBYSZQIRJ-UHFFFAOYSA-N 1 2 333.863 3.871 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000768890403 1133197172 /nfs/dbraw/zinc/19/71/72/1133197172.db2.gz RGIRIYBYSZQIRJ-UHFFFAOYSA-N 1 2 333.863 3.871 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000768911696 1133201907 /nfs/dbraw/zinc/20/19/07/1133201907.db2.gz SOQXVXLNQVIEMP-CABCVRRESA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000768911696 1133201911 /nfs/dbraw/zinc/20/19/11/1133201911.db2.gz SOQXVXLNQVIEMP-CABCVRRESA-N 1 2 336.426 3.606 20 0 EHADLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(-c2ccncc2)cc1F ZINC000768927518 1133205033 /nfs/dbraw/zinc/20/50/33/1133205033.db2.gz VXRFIZZVKRPIGS-UHFFFAOYSA-N 1 2 349.409 3.619 20 0 EHADLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(-c2ccncc2)cc1F ZINC000768927518 1133205038 /nfs/dbraw/zinc/20/50/38/1133205038.db2.gz VXRFIZZVKRPIGS-UHFFFAOYSA-N 1 2 349.409 3.619 20 0 EHADLO Cc1c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cccc1-c1ccccn1 ZINC001179091679 1133227871 /nfs/dbraw/zinc/22/78/71/1133227871.db2.gz AEPHMBFWYUMDNX-UHFFFAOYSA-N 1 2 334.423 3.834 20 0 EHADLO Cc1c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cccc1-c1ccccn1 ZINC001179091679 1133227876 /nfs/dbraw/zinc/22/78/76/1133227876.db2.gz AEPHMBFWYUMDNX-UHFFFAOYSA-N 1 2 334.423 3.834 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cccc(F)c2I)o1 ZINC001179266504 1133239624 /nfs/dbraw/zinc/23/96/24/1133239624.db2.gz OVAJERGNBILQIR-UHFFFAOYSA-N 1 2 345.155 3.622 20 0 EHADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769305861 1133257976 /nfs/dbraw/zinc/25/79/76/1133257976.db2.gz OVRGYXVNMSKQHX-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO O=C(/C=C/c1cccc(OC(F)(F)F)c1)Nc1cccc2[nH+]ccn21 ZINC001179942077 1133303149 /nfs/dbraw/zinc/30/31/49/1133303149.db2.gz CKKPGJPQPHKSIH-BQYQJAHWSA-N 1 2 347.296 3.885 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2coc(C3CC3)n2)C2CC2)C1 ZINC000769531759 1133310570 /nfs/dbraw/zinc/31/05/70/1133310570.db2.gz XAJPNXGNAHPJEM-INIZCTEOSA-N 1 2 347.459 3.526 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2coc(C3CC3)n2)C2CC2)C1 ZINC000769531759 1133310574 /nfs/dbraw/zinc/31/05/74/1133310574.db2.gz XAJPNXGNAHPJEM-INIZCTEOSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1ccccc1[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769733560 1133330225 /nfs/dbraw/zinc/33/02/25/1133330225.db2.gz DPMWUWCWIQSGNI-FXAWDEMLSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccccc1[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769733560 1133330229 /nfs/dbraw/zinc/33/02/29/1133330229.db2.gz DPMWUWCWIQSGNI-FXAWDEMLSA-N 1 2 339.435 3.500 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cncc(Cl)c1Cl ZINC001180188604 1133337921 /nfs/dbraw/zinc/33/79/21/1133337921.db2.gz HRBJNDLJHUAMJI-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cncc(Cl)c1Cl ZINC001180188604 1133337926 /nfs/dbraw/zinc/33/79/26/1133337926.db2.gz HRBJNDLJHUAMJI-GFCCVEGCSA-N 1 2 325.239 3.944 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@](O)(c1ccccc1)C1CCCCC1 ZINC001180212253 1133344706 /nfs/dbraw/zinc/34/47/06/1133344706.db2.gz QOTLKTUBYFBMLI-NRFANRHFSA-N 1 2 349.434 3.741 20 0 EHADLO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000769856844 1133351393 /nfs/dbraw/zinc/35/13/93/1133351393.db2.gz YCMQCKBVFCGULM-MRXNPFEDSA-N 1 2 348.805 3.936 20 0 EHADLO C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000769856844 1133351399 /nfs/dbraw/zinc/35/13/99/1133351399.db2.gz YCMQCKBVFCGULM-MRXNPFEDSA-N 1 2 348.805 3.936 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@H+](C)CCOc1ccccc1Cl ZINC001180438451 1133370287 /nfs/dbraw/zinc/37/02/87/1133370287.db2.gz ZTRAYGDUZWCKPF-UHFFFAOYSA-N 1 2 328.243 3.790 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)CCOc1ccccc1Cl ZINC001180438451 1133370288 /nfs/dbraw/zinc/37/02/88/1133370288.db2.gz ZTRAYGDUZWCKPF-UHFFFAOYSA-N 1 2 328.243 3.790 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002629 1133376147 /nfs/dbraw/zinc/37/61/47/1133376147.db2.gz XDEKBIAEKJDFGY-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002629 1133376152 /nfs/dbraw/zinc/37/61/52/1133376152.db2.gz XDEKBIAEKJDFGY-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3N(C)C)CC2)c1 ZINC001180462939 1133378114 /nfs/dbraw/zinc/37/81/14/1133378114.db2.gz WPZUCFFLJBODIQ-UHFFFAOYSA-N 1 2 345.437 3.661 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)oc21 ZINC000770391622 1133422489 /nfs/dbraw/zinc/42/24/89/1133422489.db2.gz OEUUZPFYZUQCIX-LBPRGKRZSA-N 1 2 342.361 3.510 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)oc21 ZINC000770391622 1133422496 /nfs/dbraw/zinc/42/24/96/1133422496.db2.gz OEUUZPFYZUQCIX-LBPRGKRZSA-N 1 2 342.361 3.510 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770398807 1133423057 /nfs/dbraw/zinc/42/30/57/1133423057.db2.gz FKFVVGOZXCXRSJ-QGZVFWFLSA-N 1 2 335.407 3.710 20 0 EHADLO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770398518 1133423258 /nfs/dbraw/zinc/42/32/58/1133423258.db2.gz HNGFFQQWSPAOBG-UHFFFAOYSA-N 1 2 349.312 3.505 20 0 EHADLO Cc1ccc(C)c(OC2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC000770412048 1133424980 /nfs/dbraw/zinc/42/49/80/1133424980.db2.gz IPJNPJABOQPOFH-UHFFFAOYSA-N 1 2 349.434 3.635 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(-c2ccncc2)cc1 ZINC000770435758 1133429377 /nfs/dbraw/zinc/42/93/77/1133429377.db2.gz UZRYRPOOPSIKGB-HNNXBMFYSA-N 1 2 342.402 3.887 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC001181808836 1133531006 /nfs/dbraw/zinc/53/10/06/1133531006.db2.gz QOQJXANMJQEIQA-CHWSQXEVSA-N 1 2 330.419 3.553 20 0 EHADLO Cc1cc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c2c([nH+]1)CCCC2 ZINC001182173873 1133576250 /nfs/dbraw/zinc/57/62/50/1133576250.db2.gz MMNVTKJFXSJPBB-HNNXBMFYSA-N 1 2 349.478 3.888 20 0 EHADLO CS/C=C\C(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000771624012 1133578438 /nfs/dbraw/zinc/57/84/38/1133578438.db2.gz ZJQJQORXRUQTQZ-SEYXRHQNSA-N 1 2 339.460 3.880 20 0 EHADLO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCCn2cc[nH+]c2)c1 ZINC000771857725 1133608461 /nfs/dbraw/zinc/60/84/61/1133608461.db2.gz ADBSYEXHJHFIPK-UHFFFAOYSA-N 1 2 348.402 3.588 20 0 EHADLO O=C(OCCn1cc[nH+]c1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000771860366 1133608610 /nfs/dbraw/zinc/60/86/10/1133608610.db2.gz OWBQUNGQINERFY-FOWTUZBSSA-N 1 2 342.395 3.868 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccccc1SCc1ccco1 ZINC000771895112 1133612735 /nfs/dbraw/zinc/61/27/35/1133612735.db2.gz DWSPBOVZMLJDFX-UHFFFAOYSA-N 1 2 328.393 3.625 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000771974021 1133623388 /nfs/dbraw/zinc/62/33/88/1133623388.db2.gz FYQVIUJFBUNFRS-UHFFFAOYSA-N 1 2 332.831 3.883 20 0 EHADLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(C(F)F)c1 ZINC000780706004 1133640420 /nfs/dbraw/zinc/64/04/20/1133640420.db2.gz GEHVGKWSRNMERH-UHFFFAOYSA-N 1 2 349.362 3.611 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C(F)(F)F ZINC000772534386 1133695224 /nfs/dbraw/zinc/69/52/24/1133695224.db2.gz YEGSQUBMMLZSQW-YNEHKIRRSA-N 1 2 348.413 3.574 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000774545741 1133730508 /nfs/dbraw/zinc/73/05/08/1133730508.db2.gz FFVUTJHBZOJAJB-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000774545741 1133730516 /nfs/dbraw/zinc/73/05/16/1133730516.db2.gz FFVUTJHBZOJAJB-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](CCF)CCOC)o2)cc1 ZINC001182780644 1133733254 /nfs/dbraw/zinc/73/32/54/1133733254.db2.gz BHYOOSQRXSYGAR-UHFFFAOYSA-N 1 2 349.402 3.541 20 0 EHADLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CCF)CCOC)o2)cc1 ZINC001182780644 1133733258 /nfs/dbraw/zinc/73/32/58/1133733258.db2.gz BHYOOSQRXSYGAR-UHFFFAOYSA-N 1 2 349.402 3.541 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182829043 1133737863 /nfs/dbraw/zinc/73/78/63/1133737863.db2.gz SVVVNOOMOSMZMG-KRWDZBQOSA-N 1 2 325.412 3.604 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182829043 1133737869 /nfs/dbraw/zinc/73/78/69/1133737869.db2.gz SVVVNOOMOSMZMG-KRWDZBQOSA-N 1 2 325.412 3.604 20 0 EHADLO CC(C)(C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(C(=O)C2CC2)cc1 ZINC001183033389 1133759298 /nfs/dbraw/zinc/75/92/98/1133759298.db2.gz ZYXGNDBKNMPCNI-UHFFFAOYSA-N 1 2 347.418 3.843 20 0 EHADLO Cc1cccc(COCC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1 ZINC001183349359 1133797120 /nfs/dbraw/zinc/79/71/20/1133797120.db2.gz ITLOLNOWEYYAFL-UHFFFAOYSA-N 1 2 335.407 3.849 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)[nH]c1C ZINC001183455738 1133808905 /nfs/dbraw/zinc/80/89/05/1133808905.db2.gz XOPLDGXEDOPGFN-UHFFFAOYSA-N 1 2 332.831 3.630 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)[nH]c1C ZINC001183455738 1133808909 /nfs/dbraw/zinc/80/89/09/1133808909.db2.gz XOPLDGXEDOPGFN-UHFFFAOYSA-N 1 2 332.831 3.630 20 0 EHADLO Nc1ccc(CCC(=O)NC2c3ccccc3Oc3ccccc32)c[nH+]1 ZINC001183940348 1133875120 /nfs/dbraw/zinc/87/51/20/1133875120.db2.gz YTVOVFIHDMCKNS-UHFFFAOYSA-N 1 2 345.402 3.608 20 0 EHADLO CC(C)n1ccnc1C[NH+]1CC(Cc2ccc(Br)cc2)C1 ZINC001184106665 1133893081 /nfs/dbraw/zinc/89/30/81/1133893081.db2.gz SDVHDSQSTATAKD-UHFFFAOYSA-N 1 2 348.288 3.901 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1csc2ccccc21 ZINC000786908741 1133919938 /nfs/dbraw/zinc/91/99/38/1133919938.db2.gz LMMUYEVGFDRTEO-STQMWFEESA-N 1 2 325.437 3.538 20 0 EHADLO Fc1nccc(Cl)c1C[NH2+][C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001184429303 1133940264 /nfs/dbraw/zinc/94/02/64/1133940264.db2.gz VZTDYEYLLAGEBB-QAPCUYQASA-N 1 2 348.805 3.647 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787188737 1133971259 /nfs/dbraw/zinc/97/12/59/1133971259.db2.gz IJQJYDCOBKLPMI-MRXNPFEDSA-N 1 2 337.467 3.722 20 0 EHADLO CCN(CC)C(=O)c1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185044636 1134024644 /nfs/dbraw/zinc/02/46/44/1134024644.db2.gz XUVFZEKJVHGXLL-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC001185283573 1134062957 /nfs/dbraw/zinc/06/29/57/1134062957.db2.gz AUPHNEMMFULOIQ-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2F)CC1 ZINC001185312746 1134067899 /nfs/dbraw/zinc/06/78/99/1134067899.db2.gz GRYQCLVCGNRWSG-JOCQHMNTSA-N 1 2 325.391 3.945 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccsc1 ZINC000788246706 1134100771 /nfs/dbraw/zinc/10/07/71/1134100771.db2.gz SVMZEXJNRYFPCZ-CQSZACIVSA-N 1 2 329.469 3.806 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccsc1 ZINC000788246706 1134100777 /nfs/dbraw/zinc/10/07/77/1134100777.db2.gz SVMZEXJNRYFPCZ-CQSZACIVSA-N 1 2 329.469 3.806 20 0 EHADLO O=C1OC2(CCCC2)CN1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000788371031 1134118577 /nfs/dbraw/zinc/11/85/77/1134118577.db2.gz BDCAPAJHYXAACU-UHFFFAOYSA-N 1 2 332.419 3.670 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001185758089 1134129299 /nfs/dbraw/zinc/12/92/99/1134129299.db2.gz LYYVMVTXYHFSML-LJQANCHMSA-N 1 2 337.423 3.646 20 0 EHADLO C[N@H+](Cc1ccc(Br)s1)Cc1cnc(Cl)cn1 ZINC000788473908 1134129756 /nfs/dbraw/zinc/12/97/56/1134129756.db2.gz MMABAHQYYKISKG-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[N@@H+](Cc1ccc(Br)s1)Cc1cnc(Cl)cn1 ZINC000788473908 1134129759 /nfs/dbraw/zinc/12/97/59/1134129759.db2.gz MMABAHQYYKISKG-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[C@H]1CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C(C)(C)C1 ZINC000746771718 1134189905 /nfs/dbraw/zinc/18/99/05/1134189905.db2.gz HKSGJXAFMZTSCR-WBVHZDCISA-N 1 2 340.471 3.534 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000788960036 1134195522 /nfs/dbraw/zinc/19/55/22/1134195522.db2.gz AZAYQZVOEPZVSS-BZVTWIBESA-N 1 2 340.389 3.712 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000788960036 1134195524 /nfs/dbraw/zinc/19/55/24/1134195524.db2.gz AZAYQZVOEPZVSS-BZVTWIBESA-N 1 2 340.389 3.712 20 0 EHADLO C[C@H](NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001186388753 1134207186 /nfs/dbraw/zinc/20/71/86/1134207186.db2.gz BRTUOXPTRPZLOJ-INIZCTEOSA-N 1 2 345.487 3.609 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000789298884 1134250559 /nfs/dbraw/zinc/25/05/59/1134250559.db2.gz YHMUPFMSLGBLQY-KRWDZBQOSA-N 1 2 333.428 3.981 20 0 EHADLO COc1cccc(OC)c1CNc1nc2ccccc2n2c[nH+]cc12 ZINC001186973648 1134280128 /nfs/dbraw/zinc/28/01/28/1134280128.db2.gz NCLNAQASGYBXFB-UHFFFAOYSA-N 1 2 334.379 3.512 20 0 EHADLO Cc1nc(NCc2cc(O)ccc2Cl)c(Br)c(C)[nH+]1 ZINC001187462936 1134337795 /nfs/dbraw/zinc/33/77/95/1134337795.db2.gz JAQZOQXXHFFTHJ-UHFFFAOYSA-N 1 2 342.624 3.827 20 0 EHADLO O=C(Nc1cccc(Br)c1)Nc1ccc2[nH+]ccn2c1 ZINC001187433214 1134339440 /nfs/dbraw/zinc/33/94/40/1134339440.db2.gz KDNCZWJKCJAOQA-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cccc4c3CCOC4)ccc21 ZINC001273543558 1134351693 /nfs/dbraw/zinc/35/16/93/1134351693.db2.gz JEUBCCNCJHXPHV-UHFFFAOYSA-N 1 2 347.418 3.626 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](c3ccn(C)n3)C2)nc(C(C)C)[nH+]1 ZINC001187647637 1134367190 /nfs/dbraw/zinc/36/71/90/1134367190.db2.gz NCNCLBASMLXTNQ-OAHLLOKOSA-N 1 2 327.476 3.841 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccoc1C(F)(F)F ZINC001187718925 1134373706 /nfs/dbraw/zinc/37/37/06/1134373706.db2.gz AGUUTRGBNKLROL-UHFFFAOYSA-N 1 2 349.312 3.756 20 0 EHADLO Cc1nc(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cs1 ZINC000075820840 1134413583 /nfs/dbraw/zinc/41/35/83/1134413583.db2.gz JBEYEGZQDFCAKE-UHFFFAOYSA-N 1 2 332.860 3.640 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccccc1-c1cccnc1 ZINC001188049343 1134414420 /nfs/dbraw/zinc/41/44/20/1134414420.db2.gz CBESGJONGCAVPI-UHFFFAOYSA-N 1 2 332.407 3.600 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C2 ZINC000790447144 1134419288 /nfs/dbraw/zinc/41/92/88/1134419288.db2.gz NHKQJJCWAPCHIE-LJQANCHMSA-N 1 2 340.854 3.938 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C2 ZINC000790447144 1134419299 /nfs/dbraw/zinc/41/92/99/1134419299.db2.gz NHKQJJCWAPCHIE-LJQANCHMSA-N 1 2 340.854 3.938 20 0 EHADLO CC1(C)C[N@H+](CN2CC3(CCCC3)OC2=O)CC[C@@H]1C(F)(F)F ZINC000790458533 1134421697 /nfs/dbraw/zinc/42/16/97/1134421697.db2.gz BVBWXARAEVADRE-LBPRGKRZSA-N 1 2 334.382 3.619 20 0 EHADLO CC1(C)C[N@@H+](CN2CC3(CCCC3)OC2=O)CC[C@@H]1C(F)(F)F ZINC000790458533 1134421702 /nfs/dbraw/zinc/42/17/02/1134421702.db2.gz BVBWXARAEVADRE-LBPRGKRZSA-N 1 2 334.382 3.619 20 0 EHADLO CCCc1cc(=O)[nH]c(SCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001188154209 1134429395 /nfs/dbraw/zinc/42/93/95/1134429395.db2.gz FRKBUDPFCZJSPI-UHFFFAOYSA-N 1 2 326.425 3.613 20 0 EHADLO COc1ccc(NC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(OC)c1 ZINC001188541374 1134478755 /nfs/dbraw/zinc/47/87/55/1134478755.db2.gz MBVINDFEOUNRPJ-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO Cc1noc(C(F)F)c1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791403486 1134545717 /nfs/dbraw/zinc/54/57/17/1134545717.db2.gz HJNAMFJJKLICDV-UHFFFAOYSA-N 1 2 347.321 3.772 20 0 EHADLO CC[C@H]1C[C@@H](CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791448873 1134552775 /nfs/dbraw/zinc/55/27/75/1134552775.db2.gz OIPBNUKRLQBRBZ-LPHOPBHVSA-N 1 2 342.439 3.819 20 0 EHADLO COCc1ccsc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791450774 1134553874 /nfs/dbraw/zinc/55/38/74/1134553874.db2.gz OQJLRUMCSUWATK-UHFFFAOYSA-N 1 2 342.420 3.746 20 0 EHADLO Nc1cc(COC(=O)CCc2ccc(-c3ccccc3F)o2)cc[nH+]1 ZINC000791545279 1134567202 /nfs/dbraw/zinc/56/72/02/1134567202.db2.gz JEFCBDQOYVTUQW-UHFFFAOYSA-N 1 2 340.354 3.739 20 0 EHADLO CCc1c(NC(=O)c2cccc3[nH+]ccn32)cnn1C(CC)CC ZINC000791616799 1134577388 /nfs/dbraw/zinc/57/73/88/1134577388.db2.gz QHOYTGZHJOCJLU-UHFFFAOYSA-N 1 2 325.416 3.707 20 0 EHADLO Nc1cc(COC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc[nH+]1 ZINC000791681733 1134590528 /nfs/dbraw/zinc/59/05/28/1134590528.db2.gz KQBOHGQTKNPEIO-AATRIKPKSA-N 1 2 339.782 3.622 20 0 EHADLO Nc1cc(COC(=O)CCCOc2cccc3ccccc32)cc[nH+]1 ZINC000791729283 1134596595 /nfs/dbraw/zinc/59/65/95/1134596595.db2.gz OVSGYVQLHRYUTQ-UHFFFAOYSA-N 1 2 336.391 3.719 20 0 EHADLO Nc1cc(COC(=O)C2(c3ccc(F)cc3)CCCCC2)cc[nH+]1 ZINC000791778011 1134600742 /nfs/dbraw/zinc/60/07/42/1134600742.db2.gz LDXDYGBGQSRAFW-UHFFFAOYSA-N 1 2 328.387 3.748 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)OCc2cc[nH+]c(N)c2)ccc1C(C)C ZINC000791750508 1134601340 /nfs/dbraw/zinc/60/13/40/1134601340.db2.gz PGDSHAOCTJFURJ-AWEZNQCLSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775268354 1134601872 /nfs/dbraw/zinc/60/18/72/1134601872.db2.gz YSQIOLKUDNEFGQ-CYBMUJFWSA-N 1 2 325.412 3.530 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791840022 1134618181 /nfs/dbraw/zinc/61/81/81/1134618181.db2.gz NYZVBHXPTMMWIP-KRWDZBQOSA-N 1 2 330.453 3.665 20 0 EHADLO CCC(=O)c1ccc(Cl)c(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000791953410 1134637822 /nfs/dbraw/zinc/63/78/22/1134637822.db2.gz QVTIVTMXTIUPRP-UHFFFAOYSA-N 1 2 327.771 3.833 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001190096430 1134654837 /nfs/dbraw/zinc/65/48/37/1134654837.db2.gz AHMCJSWNLHMAIK-LJQANCHMSA-N 1 2 345.446 3.967 20 0 EHADLO Nc1cc(COC(=O)CCCc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC000792142267 1134656605 /nfs/dbraw/zinc/65/66/05/1134656605.db2.gz WZYRSRVUDPSLBY-UHFFFAOYSA-N 1 2 338.329 3.749 20 0 EHADLO CCc1cn(Cc2ncc(-c3ccccc3Br)o2)c[nH+]1 ZINC001190103924 1134656752 /nfs/dbraw/zinc/65/67/52/1134656752.db2.gz MSNHIQDUNCTNCV-UHFFFAOYSA-N 1 2 332.201 3.911 20 0 EHADLO CCCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)c(OC(C)C)c1 ZINC000792169466 1134662309 /nfs/dbraw/zinc/66/23/09/1134662309.db2.gz LTSYEWXOJPEVSI-UHFFFAOYSA-N 1 2 344.411 3.597 20 0 EHADLO CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001190392461 1134689995 /nfs/dbraw/zinc/68/99/95/1134689995.db2.gz PILIGLNEIIWVHR-INIZCTEOSA-N 1 2 346.862 3.722 20 0 EHADLO CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001190392461 1134689998 /nfs/dbraw/zinc/68/99/98/1134689998.db2.gz PILIGLNEIIWVHR-INIZCTEOSA-N 1 2 346.862 3.722 20 0 EHADLO CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1C[NH+](C)C1 ZINC001190414937 1134696967 /nfs/dbraw/zinc/69/69/67/1134696967.db2.gz FTXDOABSXXHVGU-UHFFFAOYSA-N 1 2 325.412 3.647 20 0 EHADLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C2CC2)cc1 ZINC001190464211 1134704956 /nfs/dbraw/zinc/70/49/56/1134704956.db2.gz OKNZCAXUUPZDHK-UHFFFAOYSA-N 1 2 339.420 3.551 20 0 EHADLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3ccc(F)cc3)n2)cc1 ZINC000103483172 1134707392 /nfs/dbraw/zinc/70/73/92/1134707392.db2.gz VGPQXRSESKZPDR-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000792562410 1134712829 /nfs/dbraw/zinc/71/28/29/1134712829.db2.gz OEHUEJNVYKHEBV-UXHICEINSA-N 1 2 349.434 3.504 20 0 EHADLO CCCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001190640982 1134730473 /nfs/dbraw/zinc/73/04/73/1134730473.db2.gz QHLOWKQPOMKAAH-UHFFFAOYSA-N 1 2 341.858 3.543 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191243520 1134835713 /nfs/dbraw/zinc/83/57/13/1134835713.db2.gz DDNVPWLZTPOJAQ-IUODEOHRSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191243520 1134835717 /nfs/dbraw/zinc/83/57/17/1134835717.db2.gz DDNVPWLZTPOJAQ-IUODEOHRSA-N 1 2 346.368 3.619 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000793242117 1134887127 /nfs/dbraw/zinc/88/71/27/1134887127.db2.gz MNSWFCMHUGVHGK-UHFFFAOYSA-N 1 2 344.455 3.663 20 0 EHADLO COc1cc(-c2ccccc2)sc1C(=O)OCCc1c[nH+]cn1C ZINC000793251404 1134888986 /nfs/dbraw/zinc/88/89/86/1134888986.db2.gz QZKGZVVIYZZKRF-UHFFFAOYSA-N 1 2 342.420 3.557 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000793250847 1134889247 /nfs/dbraw/zinc/88/92/47/1134889247.db2.gz CBXXGEMWLQJTAW-UHFFFAOYSA-N 1 2 339.420 3.526 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)OCCc3c[nH+]cn3C)c(F)c2)cc1 ZINC000793252796 1134890807 /nfs/dbraw/zinc/89/08/07/1134890807.db2.gz QQPUMCZWDQJRNN-UHFFFAOYSA-N 1 2 338.382 3.934 20 0 EHADLO CCSc1cccc(C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000793365773 1134912290 /nfs/dbraw/zinc/91/22/90/1134912290.db2.gz KAYSPDKQDQFUOB-UHFFFAOYSA-N 1 2 336.888 3.842 20 0 EHADLO CCSc1cccc(C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000793365773 1134912301 /nfs/dbraw/zinc/91/23/01/1134912301.db2.gz KAYSPDKQDQFUOB-UHFFFAOYSA-N 1 2 336.888 3.842 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCSC1 ZINC000793392072 1134923176 /nfs/dbraw/zinc/92/31/76/1134923176.db2.gz XRFAJTCMYPWJOU-AWEZNQCLSA-N 1 2 328.437 3.545 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1Cl ZINC000793558396 1134957764 /nfs/dbraw/zinc/95/77/64/1134957764.db2.gz SKYWCRZSXNTNAQ-VXGBXAGGSA-N 1 2 349.866 3.860 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccnc(OCc2ccccc2)c1 ZINC001192155458 1134971913 /nfs/dbraw/zinc/97/19/13/1134971913.db2.gz QMCSXOILTUQGTP-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192172311 1134973823 /nfs/dbraw/zinc/97/38/23/1134973823.db2.gz AYNGOWRSAYVZBD-CQSZACIVSA-N 1 2 333.350 3.605 20 0 EHADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192172311 1134973831 /nfs/dbraw/zinc/97/38/31/1134973831.db2.gz AYNGOWRSAYVZBD-CQSZACIVSA-N 1 2 333.350 3.605 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1c(C)cccc1C ZINC000793675388 1134980670 /nfs/dbraw/zinc/98/06/70/1134980670.db2.gz OKQYNEFIEDMKLV-UHFFFAOYSA-N 1 2 343.377 3.556 20 0 EHADLO CCc1onc(C)c1C[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252631 1134984819 /nfs/dbraw/zinc/98/48/19/1134984819.db2.gz JIZXZANJMSSRAY-HOTGVXAUSA-N 1 2 327.472 3.640 20 0 EHADLO CCc1onc(C)c1C[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252631 1134984824 /nfs/dbraw/zinc/98/48/24/1134984824.db2.gz JIZXZANJMSSRAY-HOTGVXAUSA-N 1 2 327.472 3.640 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000775525105 1135006917 /nfs/dbraw/zinc/00/69/17/1135006917.db2.gz XGCIZPRVCIVMEB-UHFFFAOYSA-N 1 2 339.370 3.663 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534113 1135024532 /nfs/dbraw/zinc/02/45/32/1135024532.db2.gz CRMANBJOTFENMT-HNAYVOBHSA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534113 1135024538 /nfs/dbraw/zinc/02/45/38/1135024538.db2.gz CRMANBJOTFENMT-HNAYVOBHSA-N 1 2 327.424 3.992 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)C(=O)OCc1ccccc1 ZINC001192556775 1135030054 /nfs/dbraw/zinc/03/00/54/1135030054.db2.gz GVYPZHYLWPRIST-GUDVDZBRSA-N 1 2 345.483 3.692 20 0 EHADLO CNc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc(Cl)n1 ZINC000794208588 1135033264 /nfs/dbraw/zinc/03/32/64/1135033264.db2.gz UOPXTSYGTPSXOE-UHFFFAOYSA-N 1 2 341.802 3.728 20 0 EHADLO CCCCOC(=O)c1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001192599191 1135036312 /nfs/dbraw/zinc/03/63/12/1135036312.db2.gz YSPAVGPPGXABLL-UHFFFAOYSA-N 1 2 337.379 3.544 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775557840 1135077019 /nfs/dbraw/zinc/07/70/19/1135077019.db2.gz LJWVMQAXSZKOTA-MRXNPFEDSA-N 1 2 336.439 3.528 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775557840 1135077022 /nfs/dbraw/zinc/07/70/22/1135077022.db2.gz LJWVMQAXSZKOTA-MRXNPFEDSA-N 1 2 336.439 3.528 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129593535 1135117732 /nfs/dbraw/zinc/11/77/32/1135117732.db2.gz AEHJVSZPKPESOO-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO OC[C@H](C[C@@H](O)c1ccccc1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000804573468 1135125007 /nfs/dbraw/zinc/12/50/07/1135125007.db2.gz FGWDGNKHLUFGGV-KBXCAEBGSA-N 1 2 342.826 3.785 20 0 EHADLO CC1([C@@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)OCCO1 ZINC000804613644 1135140289 /nfs/dbraw/zinc/14/02/89/1135140289.db2.gz WKZBZGTVOBSYMW-CYBMUJFWSA-N 1 2 332.831 3.868 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2csc(-c3ccccc3)n2)c[nH+]1 ZINC001129713656 1135142776 /nfs/dbraw/zinc/14/27/76/1135142776.db2.gz FIQMJYUHDZQJJZ-UHFFFAOYSA-N 1 2 337.448 3.681 20 0 EHADLO CC(C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001193515074 1135150360 /nfs/dbraw/zinc/15/03/60/1135150360.db2.gz XEFXZKCHOGBUNY-UHFFFAOYSA-N 1 2 328.815 3.578 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC001194541065 1135283802 /nfs/dbraw/zinc/28/38/02/1135283802.db2.gz BWNVRQUBNWYRDC-PWSUYJOCSA-N 1 2 331.243 3.827 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC001194541065 1135283806 /nfs/dbraw/zinc/28/38/06/1135283806.db2.gz BWNVRQUBNWYRDC-PWSUYJOCSA-N 1 2 331.243 3.827 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001194599122 1135290780 /nfs/dbraw/zinc/29/07/80/1135290780.db2.gz KDLDBRSARYATBS-HNAYVOBHSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001194599122 1135290786 /nfs/dbraw/zinc/29/07/86/1135290786.db2.gz KDLDBRSARYATBS-HNAYVOBHSA-N 1 2 343.398 3.538 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000805827121 1135337501 /nfs/dbraw/zinc/33/75/01/1135337501.db2.gz GRRBFCOAGJXVQB-GFCCVEGCSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000805827121 1135337508 /nfs/dbraw/zinc/33/75/08/1135337508.db2.gz GRRBFCOAGJXVQB-GFCCVEGCSA-N 1 2 331.243 3.704 20 0 EHADLO CC[C@@H](C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001195149795 1135380867 /nfs/dbraw/zinc/38/08/67/1135380867.db2.gz BLVPHDGCMKCOAO-GFCCVEGCSA-N 1 2 342.842 3.968 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC001195385319 1135422616 /nfs/dbraw/zinc/42/26/16/1135422616.db2.gz ORJFGYPOPDZHRM-UHFFFAOYSA-N 1 2 342.405 3.581 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCc2ccccc2C1(C)C ZINC001195385319 1135422621 /nfs/dbraw/zinc/42/26/21/1135422621.db2.gz ORJFGYPOPDZHRM-UHFFFAOYSA-N 1 2 342.405 3.581 20 0 EHADLO C[C@@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775672301 1135469740 /nfs/dbraw/zinc/46/97/40/1135469740.db2.gz KAJDKKHBCMZWIS-MAUKXSAKSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775672301 1135469744 /nfs/dbraw/zinc/46/97/44/1135469744.db2.gz KAJDKKHBCMZWIS-MAUKXSAKSA-N 1 2 341.455 3.589 20 0 EHADLO Cc1ccc(CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC001130740402 1135488545 /nfs/dbraw/zinc/48/85/45/1135488545.db2.gz MBKZSNMLEZBQRQ-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@@H+]2CCCC(CC)(CC)C2)s1 ZINC001196103655 1135517477 /nfs/dbraw/zinc/51/74/77/1135517477.db2.gz GJSIAXGBTRLDLK-UHFFFAOYSA-N 1 2 338.521 3.721 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@H+]2CCCC(CC)(CC)C2)s1 ZINC001196103655 1135517479 /nfs/dbraw/zinc/51/74/79/1135517479.db2.gz GJSIAXGBTRLDLK-UHFFFAOYSA-N 1 2 338.521 3.721 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC000102388875 1135539038 /nfs/dbraw/zinc/53/90/38/1135539038.db2.gz LUFOKHDBXQIUDR-MRXNPFEDSA-N 1 2 332.473 3.546 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC000102388875 1135539043 /nfs/dbraw/zinc/53/90/43/1135539043.db2.gz LUFOKHDBXQIUDR-MRXNPFEDSA-N 1 2 332.473 3.546 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2csc(C3CC3)n2)n1 ZINC000747414539 1135564042 /nfs/dbraw/zinc/56/40/42/1135564042.db2.gz BYKHPTADRUVYQX-UHFFFAOYSA-N 1 2 336.486 3.571 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC2)c1cccc(Cl)c1 ZINC001131044408 1135570412 /nfs/dbraw/zinc/57/04/12/1135570412.db2.gz CHIRJNZTHPMSLB-MRXNPFEDSA-N 1 2 330.815 3.516 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H]3C[C@H]3C(C)C)n2)C1 ZINC000867181665 1135578211 /nfs/dbraw/zinc/57/82/11/1135578211.db2.gz NEZSKBVUYQTGBR-BZSNNMDCSA-N 1 2 341.455 3.711 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H]3C[C@H]3C(C)C)n2)C1 ZINC000867181665 1135578216 /nfs/dbraw/zinc/57/82/16/1135578216.db2.gz NEZSKBVUYQTGBR-BZSNNMDCSA-N 1 2 341.455 3.711 20 0 EHADLO S=C(Nc1ccc(Br)cc1)Nc1cc[nH+]c2c1CCC2 ZINC001196597482 1135582020 /nfs/dbraw/zinc/58/20/20/1135582020.db2.gz OWMZONRFWVJSRV-UHFFFAOYSA-N 1 2 348.269 3.564 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CC(C)(C)C)n2)C1 ZINC000867188690 1135588000 /nfs/dbraw/zinc/58/80/00/1135588000.db2.gz ZYSBWUWFEODXMS-INIZCTEOSA-N 1 2 329.444 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CC(C)(C)C)n2)C1 ZINC000867188690 1135588006 /nfs/dbraw/zinc/58/80/06/1135588006.db2.gz ZYSBWUWFEODXMS-INIZCTEOSA-N 1 2 329.444 3.540 20 0 EHADLO OC1(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCCC1 ZINC000775730740 1135591208 /nfs/dbraw/zinc/59/12/08/1135591208.db2.gz GYRCKKKJCVGIHC-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO OC1(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCCC1 ZINC000775730740 1135591213 /nfs/dbraw/zinc/59/12/13/1135591213.db2.gz GYRCKKKJCVGIHC-MRXNPFEDSA-N 1 2 327.827 3.548 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730709 1135591482 /nfs/dbraw/zinc/59/14/82/1135591482.db2.gz GKBAIRYZNMEQBZ-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775730709 1135591485 /nfs/dbraw/zinc/59/14/85/1135591485.db2.gz GKBAIRYZNMEQBZ-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000808141463 1135623728 /nfs/dbraw/zinc/62/37/28/1135623728.db2.gz DLZCSQWLEGPSSR-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000808141463 1135623729 /nfs/dbraw/zinc/62/37/29/1135623729.db2.gz DLZCSQWLEGPSSR-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO C[N@H+](Cn1cccnc1=S)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197506 1135628807 /nfs/dbraw/zinc/62/88/07/1135628807.db2.gz ICOJRKNOKYZKBV-CVEARBPZSA-N 1 2 329.469 3.748 20 0 EHADLO C[N@@H+](Cn1cccnc1=S)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197506 1135628809 /nfs/dbraw/zinc/62/88/09/1135628809.db2.gz ICOJRKNOKYZKBV-CVEARBPZSA-N 1 2 329.469 3.748 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccccn1 ZINC000808229100 1135633242 /nfs/dbraw/zinc/63/32/42/1135633242.db2.gz ZSHNBLOUUNGMJK-OAHLLOKOSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccccn1 ZINC000808229100 1135633245 /nfs/dbraw/zinc/63/32/45/1135633245.db2.gz ZSHNBLOUUNGMJK-OAHLLOKOSA-N 1 2 343.500 3.575 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3c(Cl)oc4ccccc43)ccn12 ZINC001131202581 1135639922 /nfs/dbraw/zinc/63/99/22/1135639922.db2.gz GJYQVEGLOGIWLR-UHFFFAOYSA-N 1 2 339.782 3.972 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CCO1 ZINC001197013324 1135640388 /nfs/dbraw/zinc/64/03/88/1135640388.db2.gz RLKQPEKBHLOUCJ-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCO1 ZINC001197013324 1135640390 /nfs/dbraw/zinc/64/03/90/1135640390.db2.gz RLKQPEKBHLOUCJ-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(C)C ZINC001197228847 1135662023 /nfs/dbraw/zinc/66/20/23/1135662023.db2.gz XHPOCPRMDIFVQL-INIZCTEOSA-N 1 2 341.455 3.834 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(C)C ZINC001197228849 1135662052 /nfs/dbraw/zinc/66/20/52/1135662052.db2.gz XHPOCPRMDIFVQL-MRXNPFEDSA-N 1 2 341.455 3.834 20 0 EHADLO Cc1ccccc1-n1cc(CNc2ccc3c(c2)CCC[N@H+]3C)nn1 ZINC000808398335 1135662402 /nfs/dbraw/zinc/66/24/02/1135662402.db2.gz GIOAWYSIXOTXKN-UHFFFAOYSA-N 1 2 333.439 3.570 20 0 EHADLO Cc1ccccc1-n1cc(CNc2ccc3c(c2)CCC[N@@H+]3C)nn1 ZINC000808398335 1135662406 /nfs/dbraw/zinc/66/24/06/1135662406.db2.gz GIOAWYSIXOTXKN-UHFFFAOYSA-N 1 2 333.439 3.570 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)nc1Cl)[C@H](CO)c1ccccc1 ZINC001197254496 1135666533 /nfs/dbraw/zinc/66/65/33/1135666533.db2.gz HDHURVBAXRJXSM-CQSZACIVSA-N 1 2 325.239 3.944 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)nc1Cl)[C@H](CO)c1ccccc1 ZINC001197254496 1135666538 /nfs/dbraw/zinc/66/65/38/1135666538.db2.gz HDHURVBAXRJXSM-CQSZACIVSA-N 1 2 325.239 3.944 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3nc(C(C)C)ns3)CC2)cc1 ZINC001197348156 1135676460 /nfs/dbraw/zinc/67/64/60/1135676460.db2.gz FNDKEABMLZHNIF-UHFFFAOYSA-N 1 2 344.528 3.542 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001197328040 1135679610 /nfs/dbraw/zinc/67/96/10/1135679610.db2.gz CYLWZWUUBWEMPW-INIZCTEOSA-N 1 2 347.871 3.975 20 0 EHADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCOc1cccc2ccccc21 ZINC001197531062 1135699107 /nfs/dbraw/zinc/69/91/07/1135699107.db2.gz BDTSCQWGQKNKRR-IBGZPJMESA-N 1 2 341.451 3.930 20 0 EHADLO Cc1cc(NC(=O)C=Cc2ccc3ccc(Cl)cc3n2)c(C)c[nH+]1 ZINC000747524593 1135720866 /nfs/dbraw/zinc/72/08/66/1135720866.db2.gz ARBAIKGTBVQBJR-FPLPWBNLSA-N 1 2 337.810 3.974 20 0 EHADLO COCc1ccc([C@H]2COCC[N@@H+]2CCCc2cccc(C)c2)o1 ZINC001197989240 1135764034 /nfs/dbraw/zinc/76/40/34/1135764034.db2.gz LDFNXIOVYRRUOS-LJQANCHMSA-N 1 2 329.440 3.741 20 0 EHADLO COCc1ccc([C@H]2COCC[N@H+]2CCCc2cccc(C)c2)o1 ZINC001197989240 1135764039 /nfs/dbraw/zinc/76/40/39/1135764039.db2.gz LDFNXIOVYRRUOS-LJQANCHMSA-N 1 2 329.440 3.741 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001198200839 1135783953 /nfs/dbraw/zinc/78/39/53/1135783953.db2.gz CTGARGVGLBPTOS-UHFFFAOYSA-N 1 2 348.781 3.579 20 0 EHADLO FC1(F)CC[C@@H](Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000809303169 1135817702 /nfs/dbraw/zinc/81/77/02/1135817702.db2.gz QQTRKWJIJGTZBN-ZDUSSCGKSA-N 1 2 344.365 3.959 20 0 EHADLO CC[C@@H](C)CC[C@H](O)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809404812 1135836970 /nfs/dbraw/zinc/83/69/70/1135836970.db2.gz TZWSVWWCZXJHEB-PBHICJAKSA-N 1 2 340.427 3.652 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc3c[nH]nc3c2)no1)c1ccccc1 ZINC000809479595 1135843043 /nfs/dbraw/zinc/84/30/43/1135843043.db2.gz ILGNNJSURNKQMI-LJQANCHMSA-N 1 2 347.422 3.578 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc3c[nH]nc3c2)no1)c1ccccc1 ZINC000809479595 1135843046 /nfs/dbraw/zinc/84/30/46/1135843046.db2.gz ILGNNJSURNKQMI-LJQANCHMSA-N 1 2 347.422 3.578 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)Cc1ccccc1 ZINC000809538997 1135849446 /nfs/dbraw/zinc/84/94/46/1135849446.db2.gz MADKKJVMWJTKDB-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)Cc1ccccc1 ZINC000809538997 1135849451 /nfs/dbraw/zinc/84/94/51/1135849451.db2.gz MADKKJVMWJTKDB-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1nonc1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000809744081 1135883984 /nfs/dbraw/zinc/88/39/84/1135883984.db2.gz UNHWKOLXXBCVMS-UHFFFAOYSA-N 1 2 343.814 3.900 20 0 EHADLO CCCCn1nc(C)c(CN(C)CCCn2cc[nH+]c2C)c1Cl ZINC000809752443 1135885948 /nfs/dbraw/zinc/88/59/48/1135885948.db2.gz CJJGYEYHBNMZAL-UHFFFAOYSA-N 1 2 337.899 3.672 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)s1 ZINC000775968647 1135906764 /nfs/dbraw/zinc/90/67/64/1135906764.db2.gz LOJFXOANMCVCBL-QWHCGFSZSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)s1 ZINC000775968647 1135906767 /nfs/dbraw/zinc/90/67/67/1135906767.db2.gz LOJFXOANMCVCBL-QWHCGFSZSA-N 1 2 339.505 3.535 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810220470 1135939682 /nfs/dbraw/zinc/93/96/82/1135939682.db2.gz YIGKKZRVKMBCMD-GFCCVEGCSA-N 1 2 337.265 3.547 20 0 EHADLO S=C(NC1CCCCCC1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001199967971 1135941761 /nfs/dbraw/zinc/94/17/61/1135941761.db2.gz LRVZTTRJSNOFNA-UHFFFAOYSA-N 1 2 333.501 3.522 20 0 EHADLO Fc1ccccc1-c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)o1 ZINC001200998628 1135975774 /nfs/dbraw/zinc/97/57/74/1135975774.db2.gz OHNDWLNKUFYBPQ-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC001202059667 1136087598 /nfs/dbraw/zinc/08/75/98/1136087598.db2.gz UODNCRAHDYVSQU-UHFFFAOYSA-N 1 2 344.846 3.814 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1ccc(Cl)cc1Cl ZINC001202089549 1136093358 /nfs/dbraw/zinc/09/33/58/1136093358.db2.gz NZRFNDHDBGOMMX-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO OC1(c2ccc(Cl)cc2)C[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000811509077 1136102569 /nfs/dbraw/zinc/10/25/69/1136102569.db2.gz NEUUBDISFZQEMZ-UHFFFAOYSA-N 1 2 342.801 3.731 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1CCC(F)(F)F ZINC001202329209 1136130197 /nfs/dbraw/zinc/13/01/97/1136130197.db2.gz QGSXIHPZUPUYHY-ZDUSSCGKSA-N 1 2 345.409 3.919 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1CCC(F)(F)F ZINC001202329209 1136130198 /nfs/dbraw/zinc/13/01/98/1136130198.db2.gz QGSXIHPZUPUYHY-ZDUSSCGKSA-N 1 2 345.409 3.919 20 0 EHADLO COc1ccc(C[N@H+](Cn2nc(C(F)(F)F)cc2C)C2CC2)cc1 ZINC000811730363 1136131678 /nfs/dbraw/zinc/13/16/78/1136131678.db2.gz ULCHZUXZACLMAM-UHFFFAOYSA-N 1 2 339.361 3.841 20 0 EHADLO COc1ccc(C[N@@H+](Cn2nc(C(F)(F)F)cc2C)C2CC2)cc1 ZINC000811730363 1136131680 /nfs/dbraw/zinc/13/16/80/1136131680.db2.gz ULCHZUXZACLMAM-UHFFFAOYSA-N 1 2 339.361 3.841 20 0 EHADLO C[C@@H]1C[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)CCC1(F)F ZINC000811778639 1136134313 /nfs/dbraw/zinc/13/43/13/1136134313.db2.gz DCHIJYLEHUXYTO-GFCCVEGCSA-N 1 2 343.805 3.517 20 0 EHADLO C[C@@H]1C[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)CCC1(F)F ZINC000811778639 1136134316 /nfs/dbraw/zinc/13/43/16/1136134316.db2.gz DCHIJYLEHUXYTO-GFCCVEGCSA-N 1 2 343.805 3.517 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1)CCC2 ZINC000811756713 1136136111 /nfs/dbraw/zinc/13/61/11/1136136111.db2.gz QZRDIUMTGTZRHI-WMLDXEAASA-N 1 2 347.528 3.619 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1)CCC2 ZINC000811756713 1136136112 /nfs/dbraw/zinc/13/61/12/1136136112.db2.gz QZRDIUMTGTZRHI-WMLDXEAASA-N 1 2 347.528 3.619 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1c(F)c(Cl)ccc1C(F)(F)F)C2 ZINC001137985336 1136238125 /nfs/dbraw/zinc/23/81/25/1136238125.db2.gz HHAVCLHEOLTKDX-UHFFFAOYSA-N 1 2 347.743 3.790 20 0 EHADLO Clc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1Cl ZINC000850377378 1136245699 /nfs/dbraw/zinc/24/56/99/1136245699.db2.gz FTWNDSXTCAMPIA-UHFFFAOYSA-N 1 2 345.251 3.785 20 0 EHADLO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000850395031 1136248164 /nfs/dbraw/zinc/24/81/64/1136248164.db2.gz MAZPTZOIJLIGBE-JKSUJKDBSA-N 1 2 338.245 3.890 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc2c(c1)CCCO2 ZINC000850474542 1136266262 /nfs/dbraw/zinc/26/62/62/1136266262.db2.gz OTONRBLMWPIXIR-LLVKDONJSA-N 1 2 337.345 3.671 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000850504015 1136273321 /nfs/dbraw/zinc/27/33/21/1136273321.db2.gz RVMMOKUYWOTFKZ-RDBSUJKOSA-N 1 2 333.444 3.887 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2cc(N(C)C)cc(Cl)[nH+]2)CC1 ZINC001170694009 1136274408 /nfs/dbraw/zinc/27/44/08/1136274408.db2.gz UDUPAHACFUVDSC-JOCQHMNTSA-N 1 2 339.867 3.725 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)nnn1-c1ccc(C)cc1 ZINC000850530175 1136279135 /nfs/dbraw/zinc/27/91/35/1136279135.db2.gz WLCLTGMCLGQWKY-VHKYSDTDSA-N 1 2 348.450 3.713 20 0 EHADLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1OC(F)F ZINC000850565202 1136286942 /nfs/dbraw/zinc/28/69/42/1136286942.db2.gz ZPAPRFJWYIYTMK-UHFFFAOYSA-N 1 2 349.381 3.773 20 0 EHADLO CO[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000851011554 1136328212 /nfs/dbraw/zinc/32/82/12/1136328212.db2.gz AFJYQNHNKXXFIP-SFHVURJKSA-N 1 2 340.423 3.607 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170706465 1136335551 /nfs/dbraw/zinc/33/55/51/1136335551.db2.gz FDNBGSQWAULJJD-ZDUSSCGKSA-N 1 2 347.361 3.608 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170706465 1136335555 /nfs/dbraw/zinc/33/55/55/1136335555.db2.gz FDNBGSQWAULJJD-ZDUSSCGKSA-N 1 2 347.361 3.608 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747860945 1136351453 /nfs/dbraw/zinc/35/14/53/1136351453.db2.gz IXKWBJMTBGVCCC-UHFFFAOYSA-N 1 2 341.455 3.747 20 0 EHADLO CC(C)Cc1coc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC001133922867 1136362397 /nfs/dbraw/zinc/36/23/97/1136362397.db2.gz UCHOUGZJWXJEHG-HNNXBMFYSA-N 1 2 335.835 3.768 20 0 EHADLO Fc1cc(Cl)c2c(c1)C[N@@H+](CCOCCOc1ccccc1)CC2 ZINC001170712393 1136362836 /nfs/dbraw/zinc/36/28/36/1136362836.db2.gz SLRHHAMPEVPUHG-UHFFFAOYSA-N 1 2 349.833 3.933 20 0 EHADLO Fc1cc(Cl)c2c(c1)C[N@H+](CCOCCOc1ccccc1)CC2 ZINC001170712393 1136362840 /nfs/dbraw/zinc/36/28/40/1136362840.db2.gz SLRHHAMPEVPUHG-UHFFFAOYSA-N 1 2 349.833 3.933 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001137649899 1136364733 /nfs/dbraw/zinc/36/47/33/1136364733.db2.gz RQHDGFJZUDJRMC-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001137649899 1136364734 /nfs/dbraw/zinc/36/47/34/1136364734.db2.gz RQHDGFJZUDJRMC-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO Cn1c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc2ccccc21 ZINC000851399545 1136376806 /nfs/dbraw/zinc/37/68/06/1136376806.db2.gz XGVUEOHTXFUSMW-UHFFFAOYSA-N 1 2 349.434 3.647 20 0 EHADLO C[C@@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000851399702 1136376934 /nfs/dbraw/zinc/37/69/34/1136376934.db2.gz ZMPGESBQAPJABU-CQSZACIVSA-N 1 2 330.453 3.706 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc2ncccc21 ZINC000851399620 1136377105 /nfs/dbraw/zinc/37/71/05/1136377105.db2.gz CGRAJHWKKHMHSE-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCC(=O)c2ccccc21 ZINC000851469760 1136382557 /nfs/dbraw/zinc/38/25/57/1136382557.db2.gz WNDBATLEKHTHME-PXNSSMCTSA-N 1 2 349.430 3.564 20 0 EHADLO O=C(OC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCC(=O)c2ccccc21 ZINC000851469760 1136382561 /nfs/dbraw/zinc/38/25/61/1136382561.db2.gz WNDBATLEKHTHME-PXNSSMCTSA-N 1 2 349.430 3.564 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851714176 1136400786 /nfs/dbraw/zinc/40/07/86/1136400786.db2.gz FULBIFCEFGHITQ-SNVBAGLBSA-N 1 2 339.773 3.645 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851714176 1136400790 /nfs/dbraw/zinc/40/07/90/1136400790.db2.gz FULBIFCEFGHITQ-SNVBAGLBSA-N 1 2 339.773 3.645 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cccc(F)n2)c(SC)cc1OC ZINC000851782916 1136406870 /nfs/dbraw/zinc/40/68/70/1136406870.db2.gz YVJKQSPPYHBVIZ-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cccc(F)n2)c(SC)cc1OC ZINC000851782916 1136406872 /nfs/dbraw/zinc/40/68/72/1136406872.db2.gz YVJKQSPPYHBVIZ-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C(/C)c2cccc(F)c2)c1C ZINC000110261226 1136414858 /nfs/dbraw/zinc/41/48/58/1136414858.db2.gz SLSWVTFIGDBDBP-WQLSENKSSA-N 1 2 328.387 3.566 20 0 EHADLO Fc1cccc(-c2c[nH]c([C@@H]3CCCC[N@H+]3CCOC(F)F)n2)c1 ZINC000851978480 1136424628 /nfs/dbraw/zinc/42/46/28/1136424628.db2.gz MHJNPWQLMPITJG-HNNXBMFYSA-N 1 2 339.361 3.982 20 0 EHADLO Fc1cccc(-c2c[nH]c([C@@H]3CCCC[N@@H+]3CCOC(F)F)n2)c1 ZINC000851978480 1136424629 /nfs/dbraw/zinc/42/46/29/1136424629.db2.gz MHJNPWQLMPITJG-HNNXBMFYSA-N 1 2 339.361 3.982 20 0 EHADLO C[C@H](Nc1c[nH+]c2c(F)cc(Br)cn12)c1cccc(N)c1 ZINC001170735238 1136427084 /nfs/dbraw/zinc/42/70/84/1136427084.db2.gz AXIFJBNMIKUHOC-VIFPVBQESA-N 1 2 349.207 3.991 20 0 EHADLO CCc1oc(C[NH2+]C2(c3nccs3)CCCC2)cc1C(=O)OC ZINC000338941674 1136430242 /nfs/dbraw/zinc/43/02/42/1136430242.db2.gz LIAODLLLSXCSGE-UHFFFAOYSA-N 1 2 334.441 3.644 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3cccc(Cl)n3)CC2)c1F ZINC000852111236 1136434169 /nfs/dbraw/zinc/43/41/69/1136434169.db2.gz XTWQVNDWFWFAKM-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3cccc(Cl)n3)CC2)c1F ZINC000852111236 1136434170 /nfs/dbraw/zinc/43/41/70/1136434170.db2.gz XTWQVNDWFWFAKM-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)OCc1ccccc1 ZINC000776594236 1136454005 /nfs/dbraw/zinc/45/40/05/1136454005.db2.gz ZLJUJAVASCIIHO-UHFFFAOYSA-N 1 2 334.419 3.660 20 0 EHADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)OCc1ccccc1 ZINC000776594236 1136454007 /nfs/dbraw/zinc/45/40/07/1136454007.db2.gz ZLJUJAVASCIIHO-UHFFFAOYSA-N 1 2 334.419 3.660 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@@H]2CCCC23CCCCC3)C1 ZINC000852424300 1136455223 /nfs/dbraw/zinc/45/52/23/1136455223.db2.gz BSJFWGFXEZBEPP-DLBZAZTESA-N 1 2 344.503 3.812 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000852546787 1136465165 /nfs/dbraw/zinc/46/51/65/1136465165.db2.gz KDWRULWBCHKMOT-RTBURBONSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000852546787 1136465166 /nfs/dbraw/zinc/46/51/66/1136465166.db2.gz KDWRULWBCHKMOT-RTBURBONSA-N 1 2 347.405 3.850 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1cnc(C2OCCO2)s1)CC1CC1 ZINC000852563272 1136466646 /nfs/dbraw/zinc/46/66/46/1136466646.db2.gz AWCIKHOELBDHSX-UHFFFAOYSA-N 1 2 348.443 3.740 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1cnc(C2OCCO2)s1)CC1CC1 ZINC000852563272 1136466650 /nfs/dbraw/zinc/46/66/50/1136466650.db2.gz AWCIKHOELBDHSX-UHFFFAOYSA-N 1 2 348.443 3.740 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCCO2 ZINC000852780654 1136485952 /nfs/dbraw/zinc/48/59/52/1136485952.db2.gz ASEUGZKKXVKAPD-CQSZACIVSA-N 1 2 335.407 3.912 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000111165607 1136517794 /nfs/dbraw/zinc/51/77/94/1136517794.db2.gz DSXYYQYOQVWEMQ-AWEZNQCLSA-N 1 2 333.505 3.821 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000111165607 1136517798 /nfs/dbraw/zinc/51/77/98/1136517798.db2.gz DSXYYQYOQVWEMQ-AWEZNQCLSA-N 1 2 333.505 3.821 20 0 EHADLO COc1ccccc1[C@H](O)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000853238058 1136521014 /nfs/dbraw/zinc/52/10/14/1136521014.db2.gz PRXODWCMMGHSLJ-IAGOWNOFSA-N 1 2 335.394 3.585 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563151 1136544989 /nfs/dbraw/zinc/54/49/89/1136544989.db2.gz MFLKSNFWZQCBIW-LPHOPBHVSA-N 1 2 334.435 3.577 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853563151 1136544992 /nfs/dbraw/zinc/54/49/92/1136544992.db2.gz MFLKSNFWZQCBIW-LPHOPBHVSA-N 1 2 334.435 3.577 20 0 EHADLO c1ccc(CCc2nnc3n2CC[N@H+]([C@@H]2C=CCCCCC2)C3)cc1 ZINC000815071888 1136546645 /nfs/dbraw/zinc/54/66/45/1136546645.db2.gz YHXZUHOHICAZRV-LJQANCHMSA-N 1 2 336.483 3.768 20 0 EHADLO c1ccc(CCc2nnc3n2CC[N@@H+]([C@@H]2C=CCCCCC2)C3)cc1 ZINC000815071888 1136546647 /nfs/dbraw/zinc/54/66/47/1136546647.db2.gz YHXZUHOHICAZRV-LJQANCHMSA-N 1 2 336.483 3.768 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCOc3ccccc3[C@H]2C)[C@@H]1c1ccccc1 ZINC000853632881 1136551213 /nfs/dbraw/zinc/55/12/13/1136551213.db2.gz YMIISIGVINKZQE-YRNRMSPPSA-N 1 2 336.435 3.619 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCOc3ccccc3[C@H]2C)[C@@H]1c1ccccc1 ZINC000853632881 1136551217 /nfs/dbraw/zinc/55/12/17/1136551217.db2.gz YMIISIGVINKZQE-YRNRMSPPSA-N 1 2 336.435 3.619 20 0 EHADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116390 1136551281 /nfs/dbraw/zinc/55/12/81/1136551281.db2.gz KYQSCSMFQIOFDR-DQYPLSBCSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116390 1136551284 /nfs/dbraw/zinc/55/12/84/1136551284.db2.gz KYQSCSMFQIOFDR-DQYPLSBCSA-N 1 2 339.357 3.525 20 0 EHADLO COc1cccc(C[NH2+]Cc2cnn(C)c2Cl)c1OC1CCCC1 ZINC000815126276 1136553810 /nfs/dbraw/zinc/55/38/10/1136553810.db2.gz KDKDTGVIQNSFDM-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccnc(Br)c2)C1 ZINC000815092142 1136555056 /nfs/dbraw/zinc/55/50/56/1136555056.db2.gz AOBRWKQZNTWGKK-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000815092142 1136555062 /nfs/dbraw/zinc/55/50/62/1136555062.db2.gz AOBRWKQZNTWGKK-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO Cn1ncc(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1Cl ZINC000815137944 1136560621 /nfs/dbraw/zinc/56/06/21/1136560621.db2.gz UTQAVDAEAGYYCM-LLVKDONJSA-N 1 2 346.645 3.994 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000815147240 1136562916 /nfs/dbraw/zinc/56/29/16/1136562916.db2.gz PCECMJNJRSNCIC-GFCCVEGCSA-N 1 2 326.375 3.728 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000853841492 1136568669 /nfs/dbraw/zinc/56/86/69/1136568669.db2.gz OFCUHIWRYBVELC-CTYIDZIISA-N 1 2 337.427 3.603 20 0 EHADLO COc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1C ZINC000853976379 1136578179 /nfs/dbraw/zinc/57/81/79/1136578179.db2.gz QSSXZAAHVXAMFE-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO CC(C)[C@H](F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854108559 1136588100 /nfs/dbraw/zinc/58/81/00/1136588100.db2.gz AMEDIWDFBGJVBI-KBMXLJTQSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)[C@H](F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854108559 1136588102 /nfs/dbraw/zinc/58/81/02/1136588102.db2.gz AMEDIWDFBGJVBI-KBMXLJTQSA-N 1 2 333.407 3.698 20 0 EHADLO CCCCN(C(=O)C(F)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000815398966 1136595824 /nfs/dbraw/zinc/59/58/24/1136595824.db2.gz CMAVSHBDDSTXHZ-GFCCVEGCSA-N 1 2 340.405 3.825 20 0 EHADLO CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000815398966 1136595827 /nfs/dbraw/zinc/59/58/27/1136595827.db2.gz CMAVSHBDDSTXHZ-GFCCVEGCSA-N 1 2 340.405 3.825 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000815644705 1136625550 /nfs/dbraw/zinc/62/55/50/1136625550.db2.gz KDWCDWVRFUMYSW-KGLIPLIRSA-N 1 2 326.387 3.942 20 0 EHADLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000112496804 1136635551 /nfs/dbraw/zinc/63/55/51/1136635551.db2.gz ZNSXFCPVFAKXLC-UHFFFAOYSA-N 1 2 348.371 3.803 20 0 EHADLO COC(=O)Nc1ccccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000112888019 1136659755 /nfs/dbraw/zinc/65/97/55/1136659755.db2.gz OWYKDVXACAOEDQ-UHFFFAOYSA-N 1 2 336.351 3.507 20 0 EHADLO C[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000816484349 1136723452 /nfs/dbraw/zinc/72/34/52/1136723452.db2.gz YNLHDYYYWHZSNX-UHFFFAOYSA-N 1 2 327.815 3.946 20 0 EHADLO C[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000816484349 1136723455 /nfs/dbraw/zinc/72/34/55/1136723455.db2.gz YNLHDYYYWHZSNX-UHFFFAOYSA-N 1 2 327.815 3.946 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2cccc(OC(F)F)c21 ZINC000776849620 1136746412 /nfs/dbraw/zinc/74/64/12/1136746412.db2.gz WVVQECRXHZPTFY-UHFFFAOYSA-N 1 2 343.333 3.529 20 0 EHADLO CCCc1ccc([C@H](NC(=O)Cc2[nH]cc[nH+]2)c2cccs2)cc1 ZINC000816823931 1136758083 /nfs/dbraw/zinc/75/80/83/1136758083.db2.gz KPLGJOIQBVLIBD-IBGZPJMESA-N 1 2 339.464 3.872 20 0 EHADLO Cc1ccc(F)c(C[NH+]2CCC(Oc3ccncn3)CC2)c1Cl ZINC001138029266 1136776090 /nfs/dbraw/zinc/77/60/90/1136776090.db2.gz MEXHIXFBMLXRLJ-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CCc1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157566 1136783182 /nfs/dbraw/zinc/78/31/82/1136783182.db2.gz JPHPCJOENCGGRA-HUUCEWRRSA-N 1 2 348.384 3.649 20 0 EHADLO CCc1ccc([C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157566 1136783184 /nfs/dbraw/zinc/78/31/84/1136783184.db2.gz JPHPCJOENCGGRA-HUUCEWRRSA-N 1 2 348.384 3.649 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3c(F)ccc(C)c3Cl)CC2)n1 ZINC001138029518 1136784056 /nfs/dbraw/zinc/78/40/56/1136784056.db2.gz YFEQOHJZIWJJGQ-UHFFFAOYSA-N 1 2 349.837 3.929 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccnn2C2CCCCC2)cc(C)[nH+]1 ZINC000817305547 1136795501 /nfs/dbraw/zinc/79/55/01/1136795501.db2.gz KXYYYHVKQHEJSO-UHFFFAOYSA-N 1 2 327.432 3.722 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1C ZINC000114524423 1136800954 /nfs/dbraw/zinc/80/09/54/1136800954.db2.gz PCXXDYUJBUKNNP-FQEVSTJZSA-N 1 2 343.471 3.739 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)ncn1 ZINC000856776816 1136810622 /nfs/dbraw/zinc/81/06/22/1136810622.db2.gz JALXOBPNFSUJOK-VIFPVBQESA-N 1 2 330.741 3.703 20 0 EHADLO Fc1ncccc1C[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817584340 1136824701 /nfs/dbraw/zinc/82/47/01/1136824701.db2.gz WZRYGLNEUOMLAQ-NSHDSACASA-N 1 2 342.237 3.681 20 0 EHADLO COc1ccc(Cl)c(NC(=S)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000817562718 1136827921 /nfs/dbraw/zinc/82/79/21/1136827921.db2.gz NTZBDQKZUMLLAX-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(Cl)n1 ZINC000857045695 1136836405 /nfs/dbraw/zinc/83/64/05/1136836405.db2.gz UEPXYKGSCRBWFR-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(Cl)n1 ZINC000857045695 1136836406 /nfs/dbraw/zinc/83/64/06/1136836406.db2.gz UEPXYKGSCRBWFR-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO CC[N@H+](CC(=O)N1CCC[C@@](C)(F)C1)Cc1ccccc1Cl ZINC000857517592 1136879665 /nfs/dbraw/zinc/87/96/65/1136879665.db2.gz UDTSYBLZCXYIDU-QGZVFWFLSA-N 1 2 326.843 3.513 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC[C@@](C)(F)C1)Cc1ccccc1Cl ZINC000857517592 1136879669 /nfs/dbraw/zinc/87/96/69/1136879669.db2.gz UDTSYBLZCXYIDU-QGZVFWFLSA-N 1 2 326.843 3.513 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1F ZINC001137656553 1136885440 /nfs/dbraw/zinc/88/54/40/1136885440.db2.gz LDXMGLPTXDCCDE-CHWSQXEVSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1F ZINC001137656553 1136885443 /nfs/dbraw/zinc/88/54/43/1136885443.db2.gz LDXMGLPTXDCCDE-CHWSQXEVSA-N 1 2 343.723 3.706 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c(Cl)c1 ZINC000857878238 1136917121 /nfs/dbraw/zinc/91/71/21/1136917121.db2.gz VOHJTQVLRKSXHC-KPZWWZAWSA-N 1 2 344.842 3.713 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857979826 1136926826 /nfs/dbraw/zinc/92/68/26/1136926826.db2.gz FVCUVJJYYHXMAR-BRWVUGGUSA-N 1 2 333.476 3.600 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)oc1C1CC1 ZINC000858029450 1136933664 /nfs/dbraw/zinc/93/36/64/1136933664.db2.gz XNSRJTOMKCAUOR-KRWDZBQOSA-N 1 2 339.439 3.868 20 0 EHADLO c1nc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)oc1C1CC1 ZINC000858029450 1136933665 /nfs/dbraw/zinc/93/36/65/1136933665.db2.gz XNSRJTOMKCAUOR-KRWDZBQOSA-N 1 2 339.439 3.868 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000819315988 1136934691 /nfs/dbraw/zinc/93/46/91/1136934691.db2.gz CDSXVJKDMOMQHV-OXQOHEQNSA-N 1 2 343.515 3.664 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000819408577 1136937055 /nfs/dbraw/zinc/93/70/55/1136937055.db2.gz ITSUAUUWQDPXGY-SFHVURJKSA-N 1 2 348.874 3.704 20 0 EHADLO O=C(Nc1cnccc1-c1cccc(F)c1)c1cccc2[nH+]ccn21 ZINC000777004583 1136939283 /nfs/dbraw/zinc/93/92/83/1136939283.db2.gz ISEAYAOKGQJFBO-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCc2ccc(Cl)cc21 ZINC000858231506 1136950852 /nfs/dbraw/zinc/95/08/52/1136950852.db2.gz SPLHKHAMUONYDW-INIZCTEOSA-N 1 2 344.846 3.524 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1ccns1 ZINC000858316388 1136958091 /nfs/dbraw/zinc/95/80/91/1136958091.db2.gz AVKKWRKSRHFMRV-LBPRGKRZSA-N 1 2 332.860 3.892 20 0 EHADLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000858355997 1136961034 /nfs/dbraw/zinc/96/10/34/1136961034.db2.gz UDIHFYNEZYSRPG-UHFFFAOYSA-N 1 2 327.428 3.728 20 0 EHADLO CCOc1cccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001136321402 1136986276 /nfs/dbraw/zinc/98/62/76/1136986276.db2.gz YNHNLWZHIKWWOL-UHFFFAOYSA-N 1 2 333.391 3.898 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H](C)C[C@H](O)c1ccccc1 ZINC000820675838 1137000481 /nfs/dbraw/zinc/00/04/81/1137000481.db2.gz KDWKDJXKOVJALX-WBMJQRKESA-N 1 2 327.428 3.595 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccnc(F)c2)CC1 ZINC000859062188 1137001554 /nfs/dbraw/zinc/00/15/54/1137001554.db2.gz CYBFWDFBBPRHDP-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO Fc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000859057581 1137001697 /nfs/dbraw/zinc/00/16/97/1137001697.db2.gz HWGIDACMBCOAOB-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Fc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000859057581 1137001699 /nfs/dbraw/zinc/00/16/99/1137001699.db2.gz HWGIDACMBCOAOB-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2sccc2c(O)c1 ZINC001136394198 1137010744 /nfs/dbraw/zinc/01/07/44/1137010744.db2.gz HTSWFQDTWDRXGB-INIZCTEOSA-N 1 2 343.452 3.648 20 0 EHADLO CO[C@@H](Cc1ccccc1)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001136399336 1137012697 /nfs/dbraw/zinc/01/26/97/1137012697.db2.gz UWKNBIMHBVMEKV-IBGZPJMESA-N 1 2 349.434 3.890 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859379638 1137013194 /nfs/dbraw/zinc/01/31/94/1137013194.db2.gz OCKLUHXYUSCTCF-FQEVSTJZSA-N 1 2 341.455 3.634 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859379638 1137013196 /nfs/dbraw/zinc/01/31/96/1137013196.db2.gz OCKLUHXYUSCTCF-FQEVSTJZSA-N 1 2 341.455 3.634 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ocnc1-c1ccccc1 ZINC001136459114 1137030888 /nfs/dbraw/zinc/03/08/88/1137030888.db2.gz IKKLEDZXSFJVLB-UHFFFAOYSA-N 1 2 330.347 3.984 20 0 EHADLO CC(C)n1ncc2cc(C[NH+]3CC(CC(F)F)C3)c(Cl)nc21 ZINC000822520939 1137062278 /nfs/dbraw/zinc/06/22/78/1137062278.db2.gz SLGNCHQKRSTUJK-UHFFFAOYSA-N 1 2 328.794 3.753 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1nc2ccc(Cl)nc2s1)n1cc[nH+]c1 ZINC000822561346 1137065005 /nfs/dbraw/zinc/06/50/05/1137065005.db2.gz XXMICRYPXLKKOD-NSHDSACASA-N 1 2 349.847 3.767 20 0 EHADLO Cc1cc(NC(=O)Cc2cn(C)c3ccccc23)ccc1-n1cc[nH+]c1 ZINC001136624782 1137072957 /nfs/dbraw/zinc/07/29/57/1137072957.db2.gz JIRLZVSNHGDXEJ-UHFFFAOYSA-N 1 2 344.418 3.854 20 0 EHADLO COc1ccccc1C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)CC1 ZINC001136625011 1137073090 /nfs/dbraw/zinc/07/30/90/1137073090.db2.gz UNKQMWQOGQIRRR-UHFFFAOYSA-N 1 2 347.418 3.860 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1C ZINC000822888128 1137077476 /nfs/dbraw/zinc/07/74/76/1137077476.db2.gz PIINIVDWRNPCQR-MSOLQXFVSA-N 1 2 338.451 3.907 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1[nH]ccc1-c1ccccc1 ZINC001136646736 1137079778 /nfs/dbraw/zinc/07/97/78/1137079778.db2.gz MZFJGYRYHSACRP-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823067228 1137085706 /nfs/dbraw/zinc/08/57/06/1137085706.db2.gz LSGNFUPBEIDHPR-HXUWFJFHSA-N 1 2 337.398 3.939 20 0 EHADLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC001206099004 1137089643 /nfs/dbraw/zinc/08/96/43/1137089643.db2.gz WVKJAGJLMMZKPP-NSHDSACASA-N 1 2 341.146 3.568 20 0 EHADLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC001206099004 1137089644 /nfs/dbraw/zinc/08/96/44/1137089644.db2.gz WVKJAGJLMMZKPP-NSHDSACASA-N 1 2 341.146 3.568 20 0 EHADLO CC[C@H](C(=O)N[C@H](c1ccccc1)C1CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136690873 1137091627 /nfs/dbraw/zinc/09/16/27/1137091627.db2.gz WZAASCMCJRCTCK-VAMGGRTRSA-N 1 2 344.499 3.533 20 0 EHADLO CC[C@H](C(=O)N[C@H](c1ccccc1)C1CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136690873 1137091629 /nfs/dbraw/zinc/09/16/29/1137091629.db2.gz WZAASCMCJRCTCK-VAMGGRTRSA-N 1 2 344.499 3.533 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3OC(C)(C)C)c2)[nH+]c1C ZINC000823351777 1137095989 /nfs/dbraw/zinc/09/59/89/1137095989.db2.gz DBZBMDJQBLFUMO-HZPDHXFCSA-N 1 2 327.428 3.836 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000787146356 1137104557 /nfs/dbraw/zinc/10/45/57/1137104557.db2.gz YBZGDSKPIXAKND-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000787146356 1137104558 /nfs/dbraw/zinc/10/45/58/1137104558.db2.gz YBZGDSKPIXAKND-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cccc(SC(F)(F)F)c1 ZINC000861656041 1137117373 /nfs/dbraw/zinc/11/73/73/1137117373.db2.gz UVVZDZWYIFOMDS-UHFFFAOYSA-N 1 2 344.362 3.707 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC001136856150 1137132674 /nfs/dbraw/zinc/13/26/74/1137132674.db2.gz BIESEZQLYXQNJA-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC001136856150 1137132675 /nfs/dbraw/zinc/13/26/75/1137132675.db2.gz BIESEZQLYXQNJA-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)n1 ZINC000824350429 1137133938 /nfs/dbraw/zinc/13/39/38/1137133938.db2.gz JHRFTTRFPTUJRP-UHFFFAOYSA-N 1 2 347.875 3.673 20 0 EHADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000862241182 1137134152 /nfs/dbraw/zinc/13/41/52/1137134152.db2.gz SNDXAEAZVPIANP-OAHLLOKOSA-N 1 2 338.398 3.647 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000777238592 1137136180 /nfs/dbraw/zinc/13/61/80/1137136180.db2.gz CHHZNHHANAISCK-MRXNPFEDSA-N 1 2 344.459 3.764 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000824395883 1137136553 /nfs/dbraw/zinc/13/65/53/1137136553.db2.gz KZKPOZXKOSVSIH-AUUYWEPGSA-N 1 2 348.874 3.913 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000824395883 1137136555 /nfs/dbraw/zinc/13/65/55/1137136555.db2.gz KZKPOZXKOSVSIH-AUUYWEPGSA-N 1 2 348.874 3.913 20 0 EHADLO C[C@H](C[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1)NC(=O)OC(C)(C)C ZINC000777249859 1137138983 /nfs/dbraw/zinc/13/89/83/1137138983.db2.gz USBUHVPBMFWGRF-HUUCEWRRSA-N 1 2 348.491 3.786 20 0 EHADLO CSCC[N@H+](C)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136899971 1137143390 /nfs/dbraw/zinc/14/33/90/1137143390.db2.gz BYKCVOPFBWREEZ-UHFFFAOYSA-N 1 2 345.896 3.877 20 0 EHADLO CSCC[N@@H+](C)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136899971 1137143391 /nfs/dbraw/zinc/14/33/91/1137143391.db2.gz BYKCVOPFBWREEZ-UHFFFAOYSA-N 1 2 345.896 3.877 20 0 EHADLO Cc1ccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)s1 ZINC000824672808 1137147731 /nfs/dbraw/zinc/14/77/31/1137147731.db2.gz JYDNQLLUUMDKGC-GFCCVEGCSA-N 1 2 334.432 3.695 20 0 EHADLO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1C ZINC001136921292 1137147991 /nfs/dbraw/zinc/14/79/91/1137147991.db2.gz YTIOYQCCARNASL-MRXNPFEDSA-N 1 2 347.484 3.531 20 0 EHADLO COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCC[C@@H]2c2nccs2)c1C ZINC001136921292 1137147993 /nfs/dbraw/zinc/14/79/93/1137147993.db2.gz YTIOYQCCARNASL-MRXNPFEDSA-N 1 2 347.484 3.531 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC(C(F)(F)F)CC1 ZINC000173468616 1137152153 /nfs/dbraw/zinc/15/21/53/1137152153.db2.gz PRGVWYQTYPMKBT-ZZXKWVIFSA-N 1 2 349.356 3.686 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1F ZINC001136948953 1137155582 /nfs/dbraw/zinc/15/55/82/1137155582.db2.gz VJAYPOGIHBLWQT-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO Cc1cccn2c(CN3CCOC[C@H]3c3ccc(Cl)cc3)c[nH+]c12 ZINC001136965909 1137158705 /nfs/dbraw/zinc/15/87/05/1137158705.db2.gz DTHIAUASQSQIGH-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO Cc1cccn2c(CN3CCOC[C@@H]3c3ccccc3Cl)c[nH+]c12 ZINC001136965939 1137158755 /nfs/dbraw/zinc/15/87/55/1137158755.db2.gz FUJRCKDCXWJUFL-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(OC)c(OCCC(C)C)c2)co1 ZINC000825050762 1137163330 /nfs/dbraw/zinc/16/33/30/1137163330.db2.gz RNPIFLOHJHSHDO-UHFFFAOYSA-N 1 2 332.444 3.960 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)co1 ZINC000825057022 1137163828 /nfs/dbraw/zinc/16/38/28/1137163828.db2.gz LCYZZUFZMHBXAU-UHFFFAOYSA-N 1 2 332.297 3.607 20 0 EHADLO CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000863042963 1137168194 /nfs/dbraw/zinc/16/81/94/1137168194.db2.gz XANMNKRGJDCWTR-INIZCTEOSA-N 1 2 337.398 3.882 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3nn(C)c4c3CCCC4)c2)[nH+]c1C ZINC000825394103 1137176525 /nfs/dbraw/zinc/17/65/25/1137176525.db2.gz QZSLPZOJNSDVJO-UHFFFAOYSA-N 1 2 349.438 3.558 20 0 EHADLO Cc1ccc(C)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000825453420 1137178307 /nfs/dbraw/zinc/17/83/07/1137178307.db2.gz YEHLTJAGPFDURD-UHFFFAOYSA-N 1 2 327.424 3.813 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843848378 1137184120 /nfs/dbraw/zinc/18/41/20/1137184120.db2.gz GODMANFVPGWVMB-CABCVRRESA-N 1 2 342.817 3.621 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843848378 1137184121 /nfs/dbraw/zinc/18/41/21/1137184121.db2.gz GODMANFVPGWVMB-CABCVRRESA-N 1 2 342.817 3.621 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143628776 1137184254 /nfs/dbraw/zinc/18/42/54/1137184254.db2.gz MARSAZSKSGXHCE-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143628776 1137184255 /nfs/dbraw/zinc/18/42/55/1137184255.db2.gz MARSAZSKSGXHCE-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)ccn1 ZINC001143684315 1137187699 /nfs/dbraw/zinc/18/76/99/1137187699.db2.gz OJBUYKOIYJLZGZ-CXAGYDPISA-N 1 2 341.402 3.701 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)ccn1 ZINC001143684315 1137187700 /nfs/dbraw/zinc/18/77/00/1137187700.db2.gz OJBUYKOIYJLZGZ-CXAGYDPISA-N 1 2 341.402 3.701 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2nc(C3CC3)[nH+]c(C)c2OC)c1 ZINC001171101213 1137196777 /nfs/dbraw/zinc/19/67/77/1137196777.db2.gz GMBYHMNZRQJRIA-LLVKDONJSA-N 1 2 341.411 3.631 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001143767813 1137196982 /nfs/dbraw/zinc/19/69/82/1137196982.db2.gz NJNUAXWXURKVAM-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO Oc1cccc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C2 ZINC001143781319 1137199258 /nfs/dbraw/zinc/19/92/58/1137199258.db2.gz OBWRYRDNHSHLAJ-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Oc1cccc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C2 ZINC001143781319 1137199261 /nfs/dbraw/zinc/19/92/61/1137199261.db2.gz OBWRYRDNHSHLAJ-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccc(C(F)(F)F)c(Cl)c3)C2)C1 ZINC001143809766 1137202608 /nfs/dbraw/zinc/20/26/08/1137202608.db2.gz BLIVZYCDAWBHLM-NSHDSACASA-N 1 2 336.760 3.587 20 0 EHADLO F[C@H]1CC[N@H+](C2CN(Cc3ccc(C(F)(F)F)c(Cl)c3)C2)C1 ZINC001143809766 1137202609 /nfs/dbraw/zinc/20/26/09/1137202609.db2.gz BLIVZYCDAWBHLM-NSHDSACASA-N 1 2 336.760 3.587 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143812771 1137202744 /nfs/dbraw/zinc/20/27/44/1137202744.db2.gz YWHSDAJNZWJBPS-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143812771 1137202745 /nfs/dbraw/zinc/20/27/45/1137202745.db2.gz YWHSDAJNZWJBPS-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO COC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1Br ZINC001143812602 1137202955 /nfs/dbraw/zinc/20/29/55/1137202955.db2.gz CAMTUOYUWPEQBV-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO COC[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1Br ZINC001143812602 1137202957 /nfs/dbraw/zinc/20/29/57/1137202957.db2.gz CAMTUOYUWPEQBV-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO COc1c(F)cc(C[NH+]2CCC(c3noc(C)n3)CC2)cc1Cl ZINC001143847355 1137203675 /nfs/dbraw/zinc/20/36/75/1137203675.db2.gz JYBSTEWFBHWLPK-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO CCOc1c(Cl)ccc(C[NH+]2CCC(C)(C(=O)OC)CC2)c1F ZINC001143831314 1137203976 /nfs/dbraw/zinc/20/39/76/1137203976.db2.gz MEVTUWRQZJEGJB-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000339064211 1137205267 /nfs/dbraw/zinc/20/52/67/1137205267.db2.gz SZNIOHMMEZARMU-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000794569354 1137205542 /nfs/dbraw/zinc/20/55/42/1137205542.db2.gz FXZUMIXFDWSBKX-QGZVFWFLSA-N 1 2 342.826 3.720 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccncc3C2)cc1OC(F)(F)F ZINC001143879040 1137208373 /nfs/dbraw/zinc/20/83/73/1137208373.db2.gz URWRKEILFABHSI-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccncc3C2)cc1OC(F)(F)F ZINC001143879040 1137208375 /nfs/dbraw/zinc/20/83/75/1137208375.db2.gz URWRKEILFABHSI-UHFFFAOYSA-N 1 2 338.329 3.547 20 0 EHADLO CC[C@H](OCC[N@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000844324501 1137212705 /nfs/dbraw/zinc/21/27/05/1137212705.db2.gz IQDKOBNAWJMWOS-SFHVURJKSA-N 1 2 348.874 3.697 20 0 EHADLO CC[C@H](OCC[N@@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000844324501 1137212706 /nfs/dbraw/zinc/21/27/06/1137212706.db2.gz IQDKOBNAWJMWOS-SFHVURJKSA-N 1 2 348.874 3.697 20 0 EHADLO CN(C)c1[nH+]cc(CSc2nncn2C(C)(C)C)c2ccccc21 ZINC000864097464 1137214854 /nfs/dbraw/zinc/21/48/54/1137214854.db2.gz WMDHXSOEVBNPSD-UHFFFAOYSA-N 1 2 341.484 3.940 20 0 EHADLO CCn1cc(C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C(C)C)cn1 ZINC000844419214 1137219386 /nfs/dbraw/zinc/21/93/86/1137219386.db2.gz XQWBXULAWFCLIC-UHFFFAOYSA-N 1 2 342.487 3.876 20 0 EHADLO CCn1cc(C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C(C)C)cn1 ZINC000844419214 1137219387 /nfs/dbraw/zinc/21/93/87/1137219387.db2.gz XQWBXULAWFCLIC-UHFFFAOYSA-N 1 2 342.487 3.876 20 0 EHADLO Cc1cccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000145091050 1137221285 /nfs/dbraw/zinc/22/12/85/1137221285.db2.gz OUWWVSHGUAAQSL-INIZCTEOSA-N 1 2 330.501 3.901 20 0 EHADLO Cn1cnn(C[NH+]2CCC(C)(c3ccc(Cl)cc3)CC2)c1=S ZINC000794647810 1137222975 /nfs/dbraw/zinc/22/29/75/1137222975.db2.gz UTJVDCGNKPGNNB-UHFFFAOYSA-N 1 2 336.892 3.616 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)o1 ZINC000844472139 1137227124 /nfs/dbraw/zinc/22/71/24/1137227124.db2.gz CVHAMGMALRUYFY-ULQDDVLXSA-N 1 2 341.455 3.862 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)o1 ZINC000844472139 1137227126 /nfs/dbraw/zinc/22/71/26/1137227126.db2.gz CVHAMGMALRUYFY-ULQDDVLXSA-N 1 2 341.455 3.862 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000844473618 1137227324 /nfs/dbraw/zinc/22/73/24/1137227324.db2.gz JDELQOPRQVZTCL-MRXNPFEDSA-N 1 2 345.439 3.654 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000844473618 1137227325 /nfs/dbraw/zinc/22/73/25/1137227325.db2.gz JDELQOPRQVZTCL-MRXNPFEDSA-N 1 2 345.439 3.654 20 0 EHADLO Cc1cc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc(C)c1Br ZINC000844493353 1137228817 /nfs/dbraw/zinc/22/88/17/1137228817.db2.gz CUCAULZLULAVGJ-GFCCVEGCSA-N 1 2 337.217 3.819 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000794706590 1137239767 /nfs/dbraw/zinc/23/97/67/1137239767.db2.gz UTYZFTRRNWFTKY-HNNXBMFYSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000794706590 1137239768 /nfs/dbraw/zinc/23/97/68/1137239768.db2.gz UTYZFTRRNWFTKY-HNNXBMFYSA-N 1 2 343.446 3.765 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844631980 1137241398 /nfs/dbraw/zinc/24/13/98/1137241398.db2.gz UZETZWNKHKSHAJ-IMJJTQAJSA-N 1 2 348.245 3.718 20 0 EHADLO Cc1nnc(C2CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)o1 ZINC001144134295 1137242662 /nfs/dbraw/zinc/24/26/62/1137242662.db2.gz JPGOIOZNAHNDAA-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144137183 1137242978 /nfs/dbraw/zinc/24/29/78/1137242978.db2.gz IDBTZYVCCIBLFJ-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144137183 1137242979 /nfs/dbraw/zinc/24/29/79/1137242979.db2.gz IDBTZYVCCIBLFJ-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO FC1(F)C(F)(F)C12CC[NH+](Cn1ccc(-c3cccs3)n1)CC2 ZINC000844721569 1137247877 /nfs/dbraw/zinc/24/78/77/1137247877.db2.gz SINJTWHVXAFMMD-UHFFFAOYSA-N 1 2 345.365 3.936 20 0 EHADLO COc1cccc(C=C2CC[NH+](CN3C(=O)CC34CCCC4)CC2)c1 ZINC000844697387 1137248349 /nfs/dbraw/zinc/24/83/49/1137248349.db2.gz PEGWLJICIHEJHS-UHFFFAOYSA-N 1 2 340.467 3.677 20 0 EHADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000865148691 1137265386 /nfs/dbraw/zinc/26/53/86/1137265386.db2.gz VXHIAYXCEAYZLO-HXUWFJFHSA-N 1 2 349.434 3.568 20 0 EHADLO CCOC(=O)c1cccc(CSCCc2[nH+]cc(C)cc2C)n1 ZINC000865285783 1137274358 /nfs/dbraw/zinc/27/43/58/1137274358.db2.gz GQMJUVGALGMDIR-UHFFFAOYSA-N 1 2 330.453 3.746 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144378370 1137279348 /nfs/dbraw/zinc/27/93/48/1137279348.db2.gz IAAIXVUWPVBJCM-FZMZJTMJSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)sc1C ZINC001144378370 1137279350 /nfs/dbraw/zinc/27/93/50/1137279350.db2.gz IAAIXVUWPVBJCM-FZMZJTMJSA-N 1 2 339.505 3.638 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](C)c2cc3cccc(OCC)c3o2)nn1 ZINC000865404930 1137280240 /nfs/dbraw/zinc/28/02/40/1137280240.db2.gz AFOOVUUHYQPFDU-ZDUSSCGKSA-N 1 2 328.416 3.684 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+]Cc1cccnc1Br ZINC000865425057 1137282555 /nfs/dbraw/zinc/28/25/55/1137282555.db2.gz FXMIJACBOUZPQV-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO C[C@@H](CC(=O)OCCc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845286491 1137283927 /nfs/dbraw/zinc/28/39/27/1137283927.db2.gz WPQOYYRBPYCWQN-NSHDSACASA-N 1 2 327.211 3.927 20 0 EHADLO COCc1cc(C[NH2+]Cc2c(Cl)cncc2Cl)ccc1F ZINC000865455745 1137285579 /nfs/dbraw/zinc/28/55/79/1137285579.db2.gz AYBYGIRMRUZCTR-UHFFFAOYSA-N 1 2 329.202 3.964 20 0 EHADLO CCOc1cc(F)cc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000865462351 1137285956 /nfs/dbraw/zinc/28/59/56/1137285956.db2.gz MBGJQVQXYYVXET-MRXNPFEDSA-N 1 2 333.407 3.972 20 0 EHADLO Cc1cccc(F)c1C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865477910 1137287235 /nfs/dbraw/zinc/28/72/35/1137287235.db2.gz MYELPHOCYMIKGZ-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO C[NH+](C)c1ccc(NCc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC000865496566 1137288809 /nfs/dbraw/zinc/28/88/09/1137288809.db2.gz VZOYHKHBJBTOJF-UHFFFAOYSA-N 1 2 343.431 3.502 20 0 EHADLO Cc1cc2ncc(Nc3ccc(N(C)C4CCCCC4)[nH+]c3)cn2n1 ZINC001212614029 1137291251 /nfs/dbraw/zinc/29/12/51/1137291251.db2.gz CENLSXWMOHGSSA-UHFFFAOYSA-N 1 2 336.443 3.945 20 0 EHADLO C[C@@H](CC(=O)OCCCc1nc2ccccc2s1)n1cc[nH+]c1 ZINC000845451030 1137292656 /nfs/dbraw/zinc/29/26/56/1137292656.db2.gz VQMJLRLLOTXTKK-ZDUSSCGKSA-N 1 2 329.425 3.620 20 0 EHADLO COC(=O)c1ncsc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614140 1137293027 /nfs/dbraw/zinc/29/30/27/1137293027.db2.gz GKVQWJHYCBEBHY-UHFFFAOYSA-N 1 2 346.456 3.837 20 0 EHADLO CC(=O)c1nn(C)cc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614319 1137293567 /nfs/dbraw/zinc/29/35/67/1137293567.db2.gz KWPADQHAUYMING-UHFFFAOYSA-N 1 2 327.432 3.530 20 0 EHADLO C[C@H](CC(=O)O[C@H]1CCc2cc(Br)ccc21)n1cc[nH+]c1 ZINC000845463947 1137293762 /nfs/dbraw/zinc/29/37/62/1137293762.db2.gz UGJFJQNIBRLKMP-ABAIWWIYSA-N 1 2 349.228 3.827 20 0 EHADLO C[C@H](CC(=O)O[C@H](Cc1ccccc1)c1cccnc1)n1cc[nH+]c1 ZINC000845497582 1137295218 /nfs/dbraw/zinc/29/52/18/1137295218.db2.gz HOPLUSHRIIJBDF-VQIMIIECSA-N 1 2 335.407 3.756 20 0 EHADLO C[C@H](CC(=O)OC[C@H]1CCN(c2ccccc2Cl)C1)n1cc[nH+]c1 ZINC000845580110 1137299632 /nfs/dbraw/zinc/29/96/32/1137299632.db2.gz ZFFXPTBVRRVIMD-CABCVRRESA-N 1 2 347.846 3.557 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(OC)c1)CC2 ZINC001144488791 1137299851 /nfs/dbraw/zinc/29/98/51/1137299851.db2.gz TXUJIODALVSRCF-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(OC)c1)CC2 ZINC001144488791 1137299852 /nfs/dbraw/zinc/29/98/52/1137299852.db2.gz TXUJIODALVSRCF-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCCc2c(F)cc(F)cc21 ZINC000845583750 1137299950 /nfs/dbraw/zinc/29/99/50/1137299950.db2.gz VLVUOPLPJPAJIP-KRWDZBQOSA-N 1 2 346.377 3.661 20 0 EHADLO Cc1noc(C)c1[C@@H](C)CNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865634921 1137300706 /nfs/dbraw/zinc/30/07/06/1137300706.db2.gz LEXOFAVEGSBNKX-ZDUSSCGKSA-N 1 2 337.427 3.909 20 0 EHADLO Cc1noc(C)c1[C@@H](C)CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865634921 1137300708 /nfs/dbraw/zinc/30/07/08/1137300708.db2.gz LEXOFAVEGSBNKX-ZDUSSCGKSA-N 1 2 337.427 3.909 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)c2c1 ZINC000865761164 1137309619 /nfs/dbraw/zinc/30/96/19/1137309619.db2.gz KSCKMVFADOEKNP-OAHLLOKOSA-N 1 2 333.388 3.565 20 0 EHADLO Cc1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1F ZINC000865802809 1137312800 /nfs/dbraw/zinc/31/28/00/1137312800.db2.gz VVDSORKJJHUHJP-UHFFFAOYSA-N 1 2 341.352 3.976 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(F)cc(Br)c2)n1 ZINC000865807075 1137313152 /nfs/dbraw/zinc/31/31/52/1137313152.db2.gz HHMQWMZYRONGNA-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950031 1137320148 /nfs/dbraw/zinc/32/01/48/1137320148.db2.gz SNMLBMGEHWWBFQ-ZIAGYGMSSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950031 1137320150 /nfs/dbraw/zinc/32/01/50/1137320150.db2.gz SNMLBMGEHWWBFQ-ZIAGYGMSSA-N 1 2 345.443 3.658 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2c(F)cc(F)cc2F)cc1F ZINC000845978028 1137322786 /nfs/dbraw/zinc/32/27/86/1137322786.db2.gz UDAGNWQHYCKBST-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000846053319 1137330778 /nfs/dbraw/zinc/33/07/78/1137330778.db2.gz USBZBGGGHINDIK-CQSZACIVSA-N 1 2 333.359 3.597 20 0 EHADLO COCc1cc[nH+]c(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000846118485 1137334286 /nfs/dbraw/zinc/33/42/86/1137334286.db2.gz ZOIGBOIOPWMKJS-UHFFFAOYSA-N 1 2 337.464 3.676 20 0 EHADLO COc1ccc2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000846125868 1137334720 /nfs/dbraw/zinc/33/47/20/1137334720.db2.gz KZAOANBAGOGULV-UHFFFAOYSA-N 1 2 335.407 3.562 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H](CF)c1ccc(F)cc1 ZINC000866241330 1137338068 /nfs/dbraw/zinc/33/80/68/1137338068.db2.gz BKAJCPONYOVENH-CQSZACIVSA-N 1 2 331.370 3.843 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1cccc(OC)c1OC ZINC000866281528 1137342497 /nfs/dbraw/zinc/34/24/97/1137342497.db2.gz QTJLJJLRQPDKFY-ZDUSSCGKSA-N 1 2 335.473 3.920 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000846656708 1137360732 /nfs/dbraw/zinc/36/07/32/1137360732.db2.gz XNAHREQKZLZWOZ-SHTZXODSSA-N 1 2 344.846 3.592 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000866536852 1137362617 /nfs/dbraw/zinc/36/26/17/1137362617.db2.gz WQLFYQMZILUIHM-DMDPSCGWSA-N 1 2 342.390 3.690 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1Br ZINC000866563840 1137365009 /nfs/dbraw/zinc/36/50/09/1137365009.db2.gz PUISLYTZWFCBFT-SECBINFHSA-N 1 2 344.203 3.971 20 0 EHADLO CC[N@H+](Cc1cc(C(C)=O)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000846783795 1137365468 /nfs/dbraw/zinc/36/54/68/1137365468.db2.gz DBQUXSVXYJJMKR-UHFFFAOYSA-N 1 2 326.318 3.918 20 0 EHADLO CC[N@@H+](Cc1cc(C(C)=O)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000846783795 1137365470 /nfs/dbraw/zinc/36/54/70/1137365470.db2.gz DBQUXSVXYJJMKR-UHFFFAOYSA-N 1 2 326.318 3.918 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000121226976 1137377106 /nfs/dbraw/zinc/37/71/06/1137377106.db2.gz BSQNBYCOSRPJNN-UHFFFAOYSA-N 1 2 346.906 3.868 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000121226976 1137377108 /nfs/dbraw/zinc/37/71/08/1137377108.db2.gz BSQNBYCOSRPJNN-UHFFFAOYSA-N 1 2 346.906 3.868 20 0 EHADLO CCOC(C[N@H+](CC)Cc1coc(-c2cccc(F)c2)n1)OCC ZINC000846970387 1137377506 /nfs/dbraw/zinc/37/75/06/1137377506.db2.gz QKXBIEYVDGKATH-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1coc(-c2cccc(F)c2)n1)OCC ZINC000846970387 1137377508 /nfs/dbraw/zinc/37/75/08/1137377508.db2.gz QKXBIEYVDGKATH-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ncc(-c2ccccc2C)o1)OCC ZINC000846970830 1137377577 /nfs/dbraw/zinc/37/75/77/1137377577.db2.gz LLYWJBDAUUILNF-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ncc(-c2ccccc2C)o1)OCC ZINC000846970830 1137377579 /nfs/dbraw/zinc/37/75/79/1137377579.db2.gz LLYWJBDAUUILNF-UHFFFAOYSA-N 1 2 332.444 3.871 20 0 EHADLO COc1cccc(-c2nc(C[NH+]3CCC(C(C)=O)CC3)cs2)c1 ZINC000846953067 1137378719 /nfs/dbraw/zinc/37/87/19/1137378719.db2.gz LCSWFPIIXCKZDB-UHFFFAOYSA-N 1 2 330.453 3.620 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000846979568 1137381873 /nfs/dbraw/zinc/38/18/73/1137381873.db2.gz PKDCMNCKCXVJCQ-IKESIWSLSA-N 1 2 330.453 3.650 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1)n1cc[nH+]c1 ZINC001145056583 1137384357 /nfs/dbraw/zinc/38/43/57/1137384357.db2.gz OJRNYZFSRKVYRG-UYAOXDASSA-N 1 2 343.446 3.800 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1 ZINC000867844076 1137387915 /nfs/dbraw/zinc/38/79/15/1137387915.db2.gz PUTXDDNWCSBJNK-OAHLLOKOSA-N 1 2 348.450 3.799 20 0 EHADLO Cc1cccc2c1CCCN2C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001146355014 1137389724 /nfs/dbraw/zinc/38/97/24/1137389724.db2.gz WWDCPQFIZUNHIS-UHFFFAOYSA-N 1 2 345.446 3.762 20 0 EHADLO CC[C@H](C(=O)N[C@H](CCC(C)C)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC001146767109 1137394036 /nfs/dbraw/zinc/39/40/36/1137394036.db2.gz WFNPFMMFINFCBJ-KZNAEPCWSA-N 1 2 340.552 3.843 20 0 EHADLO CC[C@H](C(=O)N[C@H](CCC(C)C)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC001146767109 1137394038 /nfs/dbraw/zinc/39/40/38/1137394038.db2.gz WFNPFMMFINFCBJ-KZNAEPCWSA-N 1 2 340.552 3.843 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1C1CCCC1 ZINC000128157657 1137413189 /nfs/dbraw/zinc/41/31/89/1137413189.db2.gz PSSMSYYDTKMSGK-UHFFFAOYSA-N 1 2 335.411 3.949 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2c(cncc2Cl)s1 ZINC001147838094 1137413445 /nfs/dbraw/zinc/41/34/45/1137413445.db2.gz QDQLEWHZAUAZOX-UHFFFAOYSA-N 1 2 346.843 3.577 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3ccnc4ccccc43)CC2)c[nH+]1 ZINC000868790760 1137423836 /nfs/dbraw/zinc/42/38/36/1137423836.db2.gz BHZKGNQDZUTTJF-UHFFFAOYSA-N 1 2 331.419 3.595 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(Cl)ccc1F ZINC001148424765 1137425041 /nfs/dbraw/zinc/42/50/41/1137425041.db2.gz ISWZADZPPKKBOF-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104145 1137436649 /nfs/dbraw/zinc/43/66/49/1137436649.db2.gz BHVRLHHJBCWPGL-KUHUBIRLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104145 1137436650 /nfs/dbraw/zinc/43/66/50/1137436650.db2.gz BHVRLHHJBCWPGL-KUHUBIRLSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccsc1 ZINC000348098854 1137440325 /nfs/dbraw/zinc/44/03/25/1137440325.db2.gz URSGGCWZVFHNIC-HUUCEWRRSA-N 1 2 344.480 3.884 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000282794417 1137452097 /nfs/dbraw/zinc/45/20/97/1137452097.db2.gz WSFLDELHQUPLGB-UHFFFAOYSA-N 1 2 346.784 3.995 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347351 1137456033 /nfs/dbraw/zinc/45/60/33/1137456033.db2.gz VOBJORIHEXBVDS-CYBMUJFWSA-N 1 2 325.399 3.532 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(Br)s2)cc1F ZINC000714013693 1137471371 /nfs/dbraw/zinc/47/13/71/1137471371.db2.gz FKAQAHGHYHABQK-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3sccc3F)n2)C1 ZINC000339096622 1137473779 /nfs/dbraw/zinc/47/37/79/1137473779.db2.gz SYACBPLWUBYVEW-SNVBAGLBSA-N 1 2 339.461 3.828 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3sccc3F)n2)C1 ZINC000339096622 1137473781 /nfs/dbraw/zinc/47/37/81/1137473781.db2.gz SYACBPLWUBYVEW-SNVBAGLBSA-N 1 2 339.461 3.828 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000339097343 1137476523 /nfs/dbraw/zinc/47/65/23/1137476523.db2.gz UWULSWUNUZUFNY-QHCPKHFHSA-N 1 2 336.545 3.891 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000339097343 1137476525 /nfs/dbraw/zinc/47/65/25/1137476525.db2.gz UWULSWUNUZUFNY-QHCPKHFHSA-N 1 2 336.545 3.891 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171443119 1137486169 /nfs/dbraw/zinc/48/61/69/1137486169.db2.gz XIAXIADOASHXHS-PBHICJAKSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171443119 1137486170 /nfs/dbraw/zinc/48/61/70/1137486170.db2.gz XIAXIADOASHXHS-PBHICJAKSA-N 1 2 334.435 3.582 20 0 EHADLO Cc1cc2c(CC(=O)OCCCc3[nH+]ccn3C)csc2s1 ZINC000870304089 1137486694 /nfs/dbraw/zinc/48/66/94/1137486694.db2.gz IJBWCYKZFVJHLK-UHFFFAOYSA-N 1 2 334.466 3.723 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21)[NH+]1CCSCC1 ZINC001171498170 1137492122 /nfs/dbraw/zinc/49/21/22/1137492122.db2.gz HQOOEJVRPQMRPZ-NVXWUHKLSA-N 1 2 346.540 3.675 20 0 EHADLO CC1=C(C)C[C@@](C)(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001171541849 1137494192 /nfs/dbraw/zinc/49/41/92/1137494192.db2.gz NMXJEKKFWQRKIW-NRFANRHFSA-N 1 2 342.483 3.563 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)CCc1ccc(C)cc1)[C@@H]2C ZINC001171671914 1137503299 /nfs/dbraw/zinc/50/32/99/1137503299.db2.gz OBUZKIYQFGKTDE-DLBZAZTESA-N 1 2 327.472 3.736 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)[C@@H]2C ZINC001171671914 1137503301 /nfs/dbraw/zinc/50/33/01/1137503301.db2.gz OBUZKIYQFGKTDE-DLBZAZTESA-N 1 2 327.472 3.736 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC(F)(F)C2)CC12CCC2 ZINC001171845014 1137515318 /nfs/dbraw/zinc/51/53/18/1137515318.db2.gz AVWVHIZTOFPKDH-CYBMUJFWSA-N 1 2 330.419 3.650 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC(F)(F)C2)CC12CCC2 ZINC001171845014 1137515320 /nfs/dbraw/zinc/51/53/20/1137515320.db2.gz AVWVHIZTOFPKDH-CYBMUJFWSA-N 1 2 330.419 3.650 20 0 EHADLO CC(C)(C)OC(=O)C1CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001171909550 1137517653 /nfs/dbraw/zinc/51/76/53/1137517653.db2.gz UTMBMCHANFHKGN-UHFFFAOYSA-N 1 2 331.325 3.674 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CO1 ZINC001172293645 1137548477 /nfs/dbraw/zinc/54/84/77/1137548477.db2.gz JPQPNTPDRFSKEL-INIZCTEOSA-N 1 2 331.847 3.587 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CO1 ZINC001172293645 1137548479 /nfs/dbraw/zinc/54/84/79/1137548479.db2.gz JPQPNTPDRFSKEL-INIZCTEOSA-N 1 2 331.847 3.587 20 0 EHADLO CCOCC[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OC(C)(C)C ZINC001172418231 1137556238 /nfs/dbraw/zinc/55/62/38/1137556238.db2.gz CLUXUSSVSSHNGV-WMZOPIPTSA-N 1 2 335.488 3.734 20 0 EHADLO COCc1cc[nH+]c(NCc2cc(Br)c(C)s2)c1 ZINC000871864089 1137561367 /nfs/dbraw/zinc/56/13/67/1137561367.db2.gz RIICTDMYTKBWJS-UHFFFAOYSA-N 1 2 327.247 3.973 20 0 EHADLO O=C1[C@H]([NH2+][C@H](CF)c2ccc(F)cc2)CCCN1Cc1ccccc1 ZINC000871925012 1137563139 /nfs/dbraw/zinc/56/31/39/1137563139.db2.gz TVKYCOYISHCYCE-RTBURBONSA-N 1 2 344.405 3.617 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)C1CC1 ZINC000872117598 1137572463 /nfs/dbraw/zinc/57/24/63/1137572463.db2.gz TYLLQOZZJVMGFX-ZDUSSCGKSA-N 1 2 344.768 3.728 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000872133849 1137573478 /nfs/dbraw/zinc/57/34/78/1137573478.db2.gz PFYLHKRGFVQLDK-VXGBXAGGSA-N 1 2 329.835 3.737 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000872137614 1137573748 /nfs/dbraw/zinc/57/37/48/1137573748.db2.gz USSQZNNXTSILER-SECBINFHSA-N 1 2 331.363 3.883 20 0 EHADLO [NH3+][C@@H](c1nc([C@H]2CCCS2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872174684 1137575238 /nfs/dbraw/zinc/57/52/38/1137575238.db2.gz FJTOQVPSUGVOCR-GHMZBOCLSA-N 1 2 329.347 3.705 20 0 EHADLO CCS[C@H](C)c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872176633 1137575273 /nfs/dbraw/zinc/57/52/73/1137575273.db2.gz WJIYMYNGVPNXSG-LDYMZIIASA-N 1 2 331.363 3.951 20 0 EHADLO CCC[C@H](OC)c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182364 1137575573 /nfs/dbraw/zinc/57/55/73/1137575573.db2.gz KISGOISQQRNSFQ-NWDGAFQWSA-N 1 2 329.322 3.624 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269254 1137576993 /nfs/dbraw/zinc/57/69/93/1137576993.db2.gz HZPVYCHKPILXAU-CXAGYDPISA-N 1 2 348.393 3.523 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269254 1137576994 /nfs/dbraw/zinc/57/69/94/1137576994.db2.gz HZPVYCHKPILXAU-CXAGYDPISA-N 1 2 348.393 3.523 20 0 EHADLO FC(F)[C@H]1CC[N@H+](Cc2cc3ccccc3c(Cl)n2)CCO1 ZINC000872273335 1137577099 /nfs/dbraw/zinc/57/70/99/1137577099.db2.gz ZANXOWXLKVRJPP-CQSZACIVSA-N 1 2 326.774 3.744 20 0 EHADLO FC(F)[C@H]1CC[N@@H+](Cc2cc3ccccc3c(Cl)n2)CCO1 ZINC000872273335 1137577100 /nfs/dbraw/zinc/57/71/00/1137577100.db2.gz ZANXOWXLKVRJPP-CQSZACIVSA-N 1 2 326.774 3.744 20 0 EHADLO C[C@H]1CCN(c2cc(C(C)(C)C)nc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000872482700 1137580665 /nfs/dbraw/zinc/58/06/65/1137580665.db2.gz YJJWPEFRZPETNW-QWHCGFSZSA-N 1 2 333.867 3.712 20 0 EHADLO CSC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000872628450 1137582127 /nfs/dbraw/zinc/58/21/27/1137582127.db2.gz ZHQCLLIMVVLVLH-UHFFFAOYSA-N 1 2 340.290 3.584 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2cc(Br)c(C)s2)n1 ZINC000873123522 1137590689 /nfs/dbraw/zinc/59/06/89/1137590689.db2.gz GQAPUPJZQWVCIP-UHFFFAOYSA-N 1 2 330.251 3.535 20 0 EHADLO COc1cccnc1C[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873129416 1137590847 /nfs/dbraw/zinc/59/08/47/1137590847.db2.gz LQPAZNPWLBJSQT-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)cn1 ZINC000873176042 1137592580 /nfs/dbraw/zinc/59/25/80/1137592580.db2.gz BBPNSXSGGKHJHB-UHFFFAOYSA-N 1 2 346.381 3.861 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cs1 ZINC000873184821 1137593148 /nfs/dbraw/zinc/59/31/48/1137593148.db2.gz IPLAOSJCTPFLGO-SECBINFHSA-N 1 2 331.363 3.554 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000874155057 1137611240 /nfs/dbraw/zinc/61/12/40/1137611240.db2.gz VZHOPIDGNNZCNH-PWSUYJOCSA-N 1 2 331.363 3.624 20 0 EHADLO CC(C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)cc1 ZINC000874350518 1137613266 /nfs/dbraw/zinc/61/32/66/1137613266.db2.gz XTDDTCBHTSRXPJ-ZDUSSCGKSA-N 1 2 343.324 3.567 20 0 EHADLO CC(C)n1cc(C[N@H+](C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001137079513 1137613673 /nfs/dbraw/zinc/61/36/73/1137613673.db2.gz OATZEXIOTWHAJK-GHTZIAJQSA-N 1 2 340.515 3.806 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001137079513 1137613674 /nfs/dbraw/zinc/61/36/74/1137613674.db2.gz OATZEXIOTWHAJK-GHTZIAJQSA-N 1 2 340.515 3.806 20 0 EHADLO Cc1csc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000874891702 1137625675 /nfs/dbraw/zinc/62/56/75/1137625675.db2.gz RWUVAOUDMXIYJA-CYBMUJFWSA-N 1 2 338.835 3.636 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893267 1137625680 /nfs/dbraw/zinc/62/56/80/1137625680.db2.gz PYAYIECUGLVBSB-VQSDEBNRSA-N 1 2 342.389 3.541 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3sc(C4CCC4)nc3C)ccc2[nH+]1 ZINC000888678062 1137637981 /nfs/dbraw/zinc/63/79/81/1137637981.db2.gz LCCQCVCNVKEYSR-UHFFFAOYSA-N 1 2 340.452 3.856 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000875905108 1137640508 /nfs/dbraw/zinc/64/05/08/1137640508.db2.gz VGRVZIIDEUFMHY-DOTOQJQBSA-N 1 2 344.846 3.571 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nccc2ccc(Br)cc21 ZINC000825847833 1137644709 /nfs/dbraw/zinc/64/47/09/1137644709.db2.gz MZIDMBRCIGWRKT-UHFFFAOYSA-N 1 2 345.244 3.720 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(OC[C@H]3CCCO3)c2)c1C ZINC000876828025 1137662984 /nfs/dbraw/zinc/66/29/84/1137662984.db2.gz WNUKRGBWHXGCER-GOSISDBHSA-N 1 2 342.439 3.877 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1nc(Cl)cs1 ZINC000876901489 1137664964 /nfs/dbraw/zinc/66/49/64/1137664964.db2.gz DVEHWQICBLOAMT-UHFFFAOYSA-N 1 2 346.887 3.948 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1OC ZINC000876926374 1137665479 /nfs/dbraw/zinc/66/54/79/1137665479.db2.gz RZXJTYAKGYSXFA-UHFFFAOYSA-N 1 2 326.849 3.884 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2nc(Cl)ccc2Br)cn1 ZINC000877572873 1137681738 /nfs/dbraw/zinc/68/17/38/1137681738.db2.gz SGKKVDCNVKQYHU-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccco3)C2)sc1Br ZINC000878092981 1137702075 /nfs/dbraw/zinc/70/20/75/1137702075.db2.gz CSXSARRQQGIVMA-SNVBAGLBSA-N 1 2 327.247 3.797 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccco3)C2)sc1Br ZINC000878092981 1137702076 /nfs/dbraw/zinc/70/20/76/1137702076.db2.gz CSXSARRQQGIVMA-SNVBAGLBSA-N 1 2 327.247 3.797 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H]2C=CCC2)cs1)c1ccc(F)cc1F ZINC000877624166 1137683398 /nfs/dbraw/zinc/68/33/98/1137683398.db2.gz LVMVMEPAIGTDFP-ZDUSSCGKSA-N 1 2 349.406 3.914 20 0 EHADLO O[C@H]1CC[N@H+](Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000877672429 1137685275 /nfs/dbraw/zinc/68/52/75/1137685275.db2.gz DZUWKWNATJQKNB-ZFWWWQNUSA-N 1 2 336.229 3.740 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000877672429 1137685276 /nfs/dbraw/zinc/68/52/76/1137685276.db2.gz DZUWKWNATJQKNB-ZFWWWQNUSA-N 1 2 336.229 3.740 20 0 EHADLO Fc1c(Cl)nccc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877674179 1137685326 /nfs/dbraw/zinc/68/53/26/1137685326.db2.gz NLXLCAFVNVYTKO-UHFFFAOYSA-N 1 2 325.840 3.785 20 0 EHADLO COCC1(C2CC2)C[NH+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000877685995 1137685847 /nfs/dbraw/zinc/68/58/47/1137685847.db2.gz JODFVKYIINXYDZ-UHFFFAOYSA-N 1 2 333.325 3.583 20 0 EHADLO C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877822736 1137692004 /nfs/dbraw/zinc/69/20/04/1137692004.db2.gz HWOWBSNTTOIHFB-DOMZBBRYSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877822736 1137692005 /nfs/dbraw/zinc/69/20/05/1137692005.db2.gz HWOWBSNTTOIHFB-DOMZBBRYSA-N 1 2 340.345 3.883 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCOC1(CCCC1)C2 ZINC000877853929 1137693497 /nfs/dbraw/zinc/69/34/97/1137693497.db2.gz OQNNWJKVEQVRHM-FQEVSTJZSA-N 1 2 334.504 3.741 20 0 EHADLO C[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(Br)cc1 ZINC000877932027 1137696075 /nfs/dbraw/zinc/69/60/75/1137696075.db2.gz JWFIMDPNQRKFSI-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO C[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(Br)cc1 ZINC000877932027 1137696076 /nfs/dbraw/zinc/69/60/76/1137696076.db2.gz JWFIMDPNQRKFSI-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000877975628 1137697965 /nfs/dbraw/zinc/69/79/65/1137697965.db2.gz BATKMLPJHCJJMG-KGLIPLIRSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000877975628 1137697966 /nfs/dbraw/zinc/69/79/66/1137697966.db2.gz BATKMLPJHCJJMG-KGLIPLIRSA-N 1 2 346.862 3.578 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)o2)c1 ZINC000877984180 1137698413 /nfs/dbraw/zinc/69/84/13/1137698413.db2.gz BTMXCJUNFYMNDN-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)o2)c1 ZINC000877984180 1137698414 /nfs/dbraw/zinc/69/84/14/1137698414.db2.gz BTMXCJUNFYMNDN-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878212276 1137707318 /nfs/dbraw/zinc/70/73/18/1137707318.db2.gz SDIRTYIETSYMLR-UHFFFAOYSA-N 1 2 348.365 3.788 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)c1 ZINC000878357001 1137712424 /nfs/dbraw/zinc/71/24/24/1137712424.db2.gz ZYSWOEFHROOXAS-ZDUSSCGKSA-N 1 2 339.395 3.692 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC000878368630 1137712999 /nfs/dbraw/zinc/71/29/99/1137712999.db2.gz LWZARBXBAMTGIP-YCRPNKLZSA-N 1 2 343.279 3.598 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)co1 ZINC000878418209 1137715128 /nfs/dbraw/zinc/71/51/28/1137715128.db2.gz JPHJZOAWKFUBOQ-AWEZNQCLSA-N 1 2 340.427 3.978 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1scnc1Cl)c1cccc(F)c1 ZINC000878609561 1137722113 /nfs/dbraw/zinc/72/21/13/1137722113.db2.gz DZUJRPNEHOYHBF-OAHLLOKOSA-N 1 2 342.823 3.504 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)c1ccc(C)cc1 ZINC000878613772 1137722190 /nfs/dbraw/zinc/72/21/90/1137722190.db2.gz WMINEQJNPUNRQQ-SUMWQHHRSA-N 1 2 347.409 3.760 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2CCc2ccccc2Br)n1 ZINC000878615588 1137722381 /nfs/dbraw/zinc/72/23/81/1137722381.db2.gz ZFHLUAHARHUWDG-AWEZNQCLSA-N 1 2 336.233 3.520 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2CCc2ccccc2Br)n1 ZINC000878615588 1137722382 /nfs/dbraw/zinc/72/23/82/1137722382.db2.gz ZFHLUAHARHUWDG-AWEZNQCLSA-N 1 2 336.233 3.520 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)nc1 ZINC000878669097 1137724471 /nfs/dbraw/zinc/72/44/71/1137724471.db2.gz RHYUBXXGULQAHN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2Cl)nc1 ZINC000878669097 1137724472 /nfs/dbraw/zinc/72/44/72/1137724472.db2.gz RHYUBXXGULQAHN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4O)o3)CCC2)cc1 ZINC000878768868 1137727634 /nfs/dbraw/zinc/72/76/34/1137727634.db2.gz BYMRWOKAJLCXEF-UHFFFAOYSA-N 1 2 335.407 3.920 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000878803732 1137728586 /nfs/dbraw/zinc/72/85/86/1137728586.db2.gz GCEKQVHNSVKXHH-CABCVRRESA-N 1 2 338.879 3.865 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000878803732 1137728587 /nfs/dbraw/zinc/72/85/87/1137728587.db2.gz GCEKQVHNSVKXHH-CABCVRRESA-N 1 2 338.879 3.865 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)co1 ZINC000878989138 1137734366 /nfs/dbraw/zinc/73/43/66/1137734366.db2.gz SIKKVKQJZGQSDY-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)co1 ZINC000878989138 1137734367 /nfs/dbraw/zinc/73/43/67/1137734367.db2.gz SIKKVKQJZGQSDY-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccsc1C(=O)OC)c1cccc(OC)c1OC ZINC000879464633 1137748453 /nfs/dbraw/zinc/74/84/53/1137748453.db2.gz PQIILSPDOFIQAE-CQSZACIVSA-N 1 2 349.452 3.793 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557092 1137750840 /nfs/dbraw/zinc/75/08/40/1137750840.db2.gz BDAJSGAXDYEQJB-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557092 1137750841 /nfs/dbraw/zinc/75/08/41/1137750841.db2.gz BDAJSGAXDYEQJB-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO Cc1nc2c(cccc2NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000879821339 1137759793 /nfs/dbraw/zinc/75/97/93/1137759793.db2.gz BGOYETFYLVRBHN-OAHLLOKOSA-N 1 2 341.415 3.569 20 0 EHADLO COCCc1nc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086840 1137767650 /nfs/dbraw/zinc/76/76/50/1137767650.db2.gz LQJSBBRKWVBDMT-OAHLLOKOSA-N 1 2 349.862 3.680 20 0 EHADLO COCCc1nc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086840 1137767651 /nfs/dbraw/zinc/76/76/51/1137767651.db2.gz LQJSBBRKWVBDMT-OAHLLOKOSA-N 1 2 349.862 3.680 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2csc(-c3ccco3)n2)(c2ccccc2)C1 ZINC000880225848 1137771329 /nfs/dbraw/zinc/77/13/29/1137771329.db2.gz YUXJJNQNESRZAU-RHNCMZPLSA-N 1 2 326.421 3.543 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@@H]1CCC2(CCC2)O1)C3 ZINC000880368115 1137776480 /nfs/dbraw/zinc/77/64/80/1137776480.db2.gz XGDOOWVVAPZXBH-HNNXBMFYSA-N 1 2 326.440 3.636 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@@H]1CCC2(CCC2)O1)C3 ZINC000880368115 1137776481 /nfs/dbraw/zinc/77/64/81/1137776481.db2.gz XGDOOWVVAPZXBH-HNNXBMFYSA-N 1 2 326.440 3.636 20 0 EHADLO COC(=O)c1cnoc1C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385761 1137777420 /nfs/dbraw/zinc/77/74/20/1137777420.db2.gz UDKANUIDIGXMPH-UHFFFAOYSA-N 1 2 342.317 3.505 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]3c3ccccc34)n2)c1 ZINC000880537669 1137780872 /nfs/dbraw/zinc/78/08/72/1137780872.db2.gz VPTKNNNGQVRPNA-KSSFIOAISA-N 1 2 332.407 3.874 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]3c3ccccc34)n2)c1 ZINC000880537669 1137780873 /nfs/dbraw/zinc/78/08/73/1137780873.db2.gz VPTKNNNGQVRPNA-KSSFIOAISA-N 1 2 332.407 3.874 20 0 EHADLO O=S(=O)(CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12)C1CCCCC1 ZINC000880537978 1137780878 /nfs/dbraw/zinc/78/08/78/1137780878.db2.gz IVBDLQYHWZHBDJ-KXBFYZLASA-N 1 2 333.497 3.668 20 0 EHADLO O=S(=O)(CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12)C1CCCCC1 ZINC000880537978 1137780879 /nfs/dbraw/zinc/78/08/79/1137780879.db2.gz IVBDLQYHWZHBDJ-KXBFYZLASA-N 1 2 333.497 3.668 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC000880638273 1137782973 /nfs/dbraw/zinc/78/29/73/1137782973.db2.gz LROQGAJTNRDKPV-UHFFFAOYSA-N 1 2 340.427 3.621 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000880748419 1137788075 /nfs/dbraw/zinc/78/80/75/1137788075.db2.gz DMHRXVJSGOOTKC-MRXNPFEDSA-N 1 2 341.386 3.783 20 0 EHADLO CCCCc1noc(C[N@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134108 1137789815 /nfs/dbraw/zinc/78/98/15/1137789815.db2.gz ASMZLQUYANXUFR-QAPCUYQASA-N 1 2 343.471 3.937 20 0 EHADLO CCCCc1noc(C[N@@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134108 1137789816 /nfs/dbraw/zinc/78/98/16/1137789816.db2.gz ASMZLQUYANXUFR-QAPCUYQASA-N 1 2 343.471 3.937 20 0 EHADLO COCc1nc(C[N@@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)cs1 ZINC000626135005 1137790006 /nfs/dbraw/zinc/79/00/06/1137790006.db2.gz RNKBEUVIZLSXMX-KSSFIOAISA-N 1 2 346.496 3.814 20 0 EHADLO COCc1nc(C[N@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)cs1 ZINC000626135005 1137790007 /nfs/dbraw/zinc/79/00/07/1137790007.db2.gz RNKBEUVIZLSXMX-KSSFIOAISA-N 1 2 346.496 3.814 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@H](C)CC2)nc1-c1ccncc1 ZINC000128772457 1137798977 /nfs/dbraw/zinc/79/89/77/1137798977.db2.gz MTWBAEWOAMRNGC-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@H](C)CC2)nc1-c1ccncc1 ZINC000128772457 1137798978 /nfs/dbraw/zinc/79/89/78/1137798978.db2.gz MTWBAEWOAMRNGC-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2(C)C)cc1 ZINC000881658955 1137813065 /nfs/dbraw/zinc/81/30/65/1137813065.db2.gz LEXOGQNXEBGAER-SFHVURJKSA-N 1 2 325.456 3.766 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2(C)C)cc1 ZINC000881660611 1137813287 /nfs/dbraw/zinc/81/32/87/1137813287.db2.gz SJERKLAIVYKJLE-HKUYNNGSSA-N 1 2 337.467 3.549 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000888903747 1137819773 /nfs/dbraw/zinc/81/97/73/1137819773.db2.gz COFQHVSUTPWEPW-GBESFXJTSA-N 1 2 337.467 3.678 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904651 1137820992 /nfs/dbraw/zinc/82/09/92/1137820992.db2.gz OLTFTBZXRVREMJ-ZWKOTPCHSA-N 1 2 325.456 3.585 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000882571384 1137829609 /nfs/dbraw/zinc/82/96/09/1137829609.db2.gz FOTRYZCTKKCIIG-FZMZJTMJSA-N 1 2 341.308 3.657 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(F)cc(CNc2cc(CO)cc[nH+]2)c1 ZINC000882716388 1137832391 /nfs/dbraw/zinc/83/23/91/1137832391.db2.gz NPXDZXTUQNXSTO-UHFFFAOYSA-N 1 2 347.390 3.672 20 0 EHADLO O=C(C[C@H]1CCC(F)(F)C1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871413 1137836178 /nfs/dbraw/zinc/83/61/78/1137836178.db2.gz GWMJSQDGYZXSJN-ZBFHGGJFSA-N 1 2 333.382 3.566 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871504 1137836192 /nfs/dbraw/zinc/83/61/92/1137836192.db2.gz IINUBQDUXKNYMD-FIRPJDEBSA-N 1 2 345.446 3.790 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000131007422 1137844978 /nfs/dbraw/zinc/84/49/78/1137844978.db2.gz UQTZDFFORCQTSS-OAHLLOKOSA-N 1 2 348.541 3.711 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000131007422 1137844979 /nfs/dbraw/zinc/84/49/79/1137844979.db2.gz UQTZDFFORCQTSS-OAHLLOKOSA-N 1 2 348.541 3.711 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000883258492 1137851093 /nfs/dbraw/zinc/85/10/93/1137851093.db2.gz DMCZZPATKPRDPH-UHFFFAOYSA-N 1 2 333.863 3.950 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]C1(c3ncccn3)CCC1)CC2 ZINC000883311825 1137853989 /nfs/dbraw/zinc/85/39/89/1137853989.db2.gz LXISUPZOIXQFTO-HNNXBMFYSA-N 1 2 344.256 3.895 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)cc1OC ZINC000883313862 1137854177 /nfs/dbraw/zinc/85/41/77/1137854177.db2.gz OKXSPRMZSRUBQI-CQSZACIVSA-N 1 2 327.428 3.532 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCCc3[nH]ncc31)CCCC2 ZINC000883348104 1137856808 /nfs/dbraw/zinc/85/68/08/1137856808.db2.gz HPZWZDZUXHWRGV-SJORKVTESA-N 1 2 341.455 3.862 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc(OC)c(OC)c1OC ZINC000883378648 1137858313 /nfs/dbraw/zinc/85/83/13/1137858313.db2.gz UAELURUMIFLIMI-UHFFFAOYSA-N 1 2 348.468 3.973 20 0 EHADLO CCc1nc(C[NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)cs1 ZINC000883394763 1137859445 /nfs/dbraw/zinc/85/94/45/1137859445.db2.gz GQALUSWJVIWCHY-MRXNPFEDSA-N 1 2 344.480 3.868 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000883411407 1137860082 /nfs/dbraw/zinc/86/00/82/1137860082.db2.gz XVNSJJNCIWNTHC-QAPCUYQASA-N 1 2 326.444 3.502 20 0 EHADLO O=C(N[C@@H](C1CC1)C1CCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883737695 1137868612 /nfs/dbraw/zinc/86/86/12/1137868612.db2.gz HPMMKGJVVFVKMG-RTBURBONSA-N 1 2 338.455 3.502 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000358399136 1137872590 /nfs/dbraw/zinc/87/25/90/1137872590.db2.gz KJEHGUDEDZVQSK-DTWKUNHWSA-N 1 2 347.303 3.660 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103307569 1137875992 /nfs/dbraw/zinc/87/59/92/1137875992.db2.gz PMMPJRLHNLDFAA-IBGZPJMESA-N 1 2 340.471 3.669 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000103494620 1137876566 /nfs/dbraw/zinc/87/65/66/1137876566.db2.gz IMBWDYHRONWPMO-SJORKVTESA-N 1 2 325.456 3.530 20 0 EHADLO C[C@@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000282853139 1137883634 /nfs/dbraw/zinc/88/36/34/1137883634.db2.gz TYLLDOSKVMZNHR-OQUMVOOASA-N 1 2 337.467 3.877 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348261204 1137886409 /nfs/dbraw/zinc/88/64/09/1137886409.db2.gz KRTPCHACZHZUQL-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CCCO[C@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)CC1 ZINC000108397897 1137889477 /nfs/dbraw/zinc/88/94/77/1137889477.db2.gz POGRSJGUIFKFSU-INIZCTEOSA-N 1 2 348.487 3.552 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)CC1 ZINC000108397897 1137889478 /nfs/dbraw/zinc/88/94/78/1137889478.db2.gz POGRSJGUIFKFSU-INIZCTEOSA-N 1 2 348.487 3.552 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000348301769 1137919664 /nfs/dbraw/zinc/91/96/64/1137919664.db2.gz ATFYJJUOLCHDHX-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000348301769 1137919665 /nfs/dbraw/zinc/91/96/65/1137919665.db2.gz ATFYJJUOLCHDHX-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO Nc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000162016682 1137921147 /nfs/dbraw/zinc/92/11/47/1137921147.db2.gz AFKRKLXQXIWQTQ-INIZCTEOSA-N 1 2 332.245 3.763 20 0 EHADLO Nc1cc(Br)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000162016682 1137921148 /nfs/dbraw/zinc/92/11/48/1137921148.db2.gz AFKRKLXQXIWQTQ-INIZCTEOSA-N 1 2 332.245 3.763 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331816625 1137921772 /nfs/dbraw/zinc/92/17/72/1137921772.db2.gz UYAZKHCYPUYYMS-HUUCEWRRSA-N 1 2 344.463 3.625 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)c(OC)c1OC ZINC000116381801 1137925561 /nfs/dbraw/zinc/92/55/61/1137925561.db2.gz UPHISDKDXYQACD-UHFFFAOYSA-N 1 2 336.457 3.502 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116740922 1137927230 /nfs/dbraw/zinc/92/72/30/1137927230.db2.gz PPCNDHWGBSDLDO-QFBILLFUSA-N 1 2 325.456 3.877 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C)cc1 ZINC000332166261 1137934274 /nfs/dbraw/zinc/93/42/74/1137934274.db2.gz KUKQASMWUUMENE-IAGOWNOFSA-N 1 2 326.444 3.758 20 0 EHADLO CSc1cccc(C)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332346964 1137940791 /nfs/dbraw/zinc/94/07/91/1137940791.db2.gz AAIFKFKKLRJOBR-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332402767 1137942851 /nfs/dbraw/zinc/94/28/51/1137942851.db2.gz NWMPQACJEQIPOH-SECBINFHSA-N 1 2 340.214 3.523 20 0 EHADLO COCOc1ccc(OC)cc1CNc1ccc2c(c1)CCC[N@H+]2C ZINC000120873718 1137953203 /nfs/dbraw/zinc/95/32/03/1137953203.db2.gz CKXPSEGBLPQFAM-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO COCOc1ccc(OC)cc1CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000120873718 1137953204 /nfs/dbraw/zinc/95/32/04/1137953204.db2.gz CKXPSEGBLPQFAM-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)c(C)[nH+]1 ZINC000333193344 1137957784 /nfs/dbraw/zinc/95/77/84/1137957784.db2.gz OVPUKGJPLKZGLQ-QGZVFWFLSA-N 1 2 331.460 3.820 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000333221907 1137958578 /nfs/dbraw/zinc/95/85/78/1137958578.db2.gz DXCDDRVIFKUNKB-LJQANCHMSA-N 1 2 338.455 3.758 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC1 ZINC000333221907 1137958579 /nfs/dbraw/zinc/95/85/79/1137958579.db2.gz DXCDDRVIFKUNKB-LJQANCHMSA-N 1 2 338.455 3.758 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C2CCC2)cc1 ZINC000885403618 1137999516 /nfs/dbraw/zinc/99/95/16/1137999516.db2.gz VUWQEYIWJFQMAA-LIRRHRJNSA-N 1 2 327.428 3.500 20 0 EHADLO CCCCCCC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000885703287 1138019132 /nfs/dbraw/zinc/01/91/32/1138019132.db2.gz ULPCKKVKGHEEHQ-UHFFFAOYSA-N 1 2 332.488 3.700 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c1OC ZINC000885994629 1138030848 /nfs/dbraw/zinc/03/08/48/1138030848.db2.gz PVHAODQIYKTFSZ-UHFFFAOYSA-N 1 2 346.374 3.777 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000890260936 1138043568 /nfs/dbraw/zinc/04/35/68/1138043568.db2.gz ORLLRGOVUSRYND-IPMKNSEASA-N 1 2 338.455 3.599 20 0 EHADLO CCc1nnc(C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)s1 ZINC000886120318 1138048735 /nfs/dbraw/zinc/04/87/35/1138048735.db2.gz BFAHUIIPOPKLPY-UHFFFAOYSA-N 1 2 341.484 3.501 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327611 1138067714 /nfs/dbraw/zinc/06/77/14/1138067714.db2.gz NOSTURMLMGQSHQ-KKOKHZNYSA-N 1 2 329.469 3.534 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327611 1138067716 /nfs/dbraw/zinc/06/77/16/1138067716.db2.gz NOSTURMLMGQSHQ-KKOKHZNYSA-N 1 2 329.469 3.534 20 0 EHADLO CC(C)CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890266155 1138070104 /nfs/dbraw/zinc/07/01/04/1138070104.db2.gz XRJHXNIWGULPCW-IBGZPJMESA-N 1 2 340.471 3.845 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000066565397 1138076342 /nfs/dbraw/zinc/07/63/42/1138076342.db2.gz GNZBLGFSVVWHCA-JTQLQIEISA-N 1 2 341.839 3.703 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000066565397 1138076344 /nfs/dbraw/zinc/07/63/44/1138076344.db2.gz GNZBLGFSVVWHCA-JTQLQIEISA-N 1 2 341.839 3.703 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1nc(-c2ccncc2)no1 ZINC000886522181 1138089176 /nfs/dbraw/zinc/08/91/76/1138089176.db2.gz DTEYCXUKTOGWAU-HZPDHXFCSA-N 1 2 335.411 3.501 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000886542954 1138094086 /nfs/dbraw/zinc/09/40/86/1138094086.db2.gz IKJGZWNCKIEOAV-CXAGYDPISA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000886542954 1138094087 /nfs/dbraw/zinc/09/40/87/1138094087.db2.gz IKJGZWNCKIEOAV-CXAGYDPISA-N 1 2 330.453 3.903 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccccc1Cl ZINC000886613658 1138101948 /nfs/dbraw/zinc/10/19/48/1138101948.db2.gz ARYWPJIBTHEPCF-NHYWBVRUSA-N 1 2 346.780 3.943 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccccc1Cl ZINC000886613658 1138101949 /nfs/dbraw/zinc/10/19/49/1138101949.db2.gz ARYWPJIBTHEPCF-NHYWBVRUSA-N 1 2 346.780 3.943 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886713086 1138123121 /nfs/dbraw/zinc/12/31/21/1138123121.db2.gz SWSQOUJZBFMHHX-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969369 1138129329 /nfs/dbraw/zinc/12/93/29/1138129329.db2.gz CBSAAXFBHUCVEF-LBPRGKRZSA-N 1 2 339.361 3.996 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2cccc(C)c2)cs1)C1CC1 ZINC000076764299 1138134591 /nfs/dbraw/zinc/13/45/91/1138134591.db2.gz LJFJBJFKCBCCEM-UHFFFAOYSA-N 1 2 343.496 3.992 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000886811493 1138147313 /nfs/dbraw/zinc/14/73/13/1138147313.db2.gz VASSWGRUIVJZCF-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000886811493 1138147314 /nfs/dbraw/zinc/14/73/14/1138147314.db2.gz VASSWGRUIVJZCF-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000079880538 1138159384 /nfs/dbraw/zinc/15/93/84/1138159384.db2.gz VPASDBOSJDKVBQ-HNNXBMFYSA-N 1 2 344.528 3.714 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000080059077 1138160546 /nfs/dbraw/zinc/16/05/46/1138160546.db2.gz XAGNLFZFGAARLF-INIZCTEOSA-N 1 2 343.446 3.798 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CCCCC1 ZINC000080658557 1138163761 /nfs/dbraw/zinc/16/37/61/1138163761.db2.gz SHORTVPKKZSRIY-UHFFFAOYSA-N 1 2 344.503 3.662 20 0 EHADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)Cc1cccc(F)c1 ZINC000081354719 1138168316 /nfs/dbraw/zinc/16/83/16/1138168316.db2.gz SUKREGZHFLKUSE-MRXNPFEDSA-N 1 2 343.446 3.798 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000086234922 1138186212 /nfs/dbraw/zinc/18/62/12/1138186212.db2.gz RQASMOBRQKSARE-CQSZACIVSA-N 1 2 342.443 3.755 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000086234922 1138186214 /nfs/dbraw/zinc/18/62/14/1138186214.db2.gz RQASMOBRQKSARE-CQSZACIVSA-N 1 2 342.443 3.755 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1nsc3ccccc13)C2 ZINC000887108362 1138213816 /nfs/dbraw/zinc/21/38/16/1138213816.db2.gz GKLRHFZWRJTHRX-UHFFFAOYSA-N 1 2 326.421 3.569 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1nsc3ccccc13)C2 ZINC000887108362 1138213817 /nfs/dbraw/zinc/21/38/17/1138213817.db2.gz GKLRHFZWRJTHRX-UHFFFAOYSA-N 1 2 326.421 3.569 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091890684 1138222807 /nfs/dbraw/zinc/22/28/07/1138222807.db2.gz PMUMHQJUMGQMDQ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091890684 1138222809 /nfs/dbraw/zinc/22/28/09/1138222809.db2.gz PMUMHQJUMGQMDQ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000092075994 1138224715 /nfs/dbraw/zinc/22/47/15/1138224715.db2.gz GUNPBDJPPUTHLF-INIZCTEOSA-N 1 2 343.496 3.504 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000092075994 1138224717 /nfs/dbraw/zinc/22/47/17/1138224717.db2.gz GUNPBDJPPUTHLF-INIZCTEOSA-N 1 2 343.496 3.504 20 0 EHADLO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092594133 1138229691 /nfs/dbraw/zinc/22/96/91/1138229691.db2.gz HMRHBHDKGMDXQO-MRXNPFEDSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092594133 1138229692 /nfs/dbraw/zinc/22/96/92/1138229692.db2.gz HMRHBHDKGMDXQO-MRXNPFEDSA-N 1 2 343.427 3.851 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)cs1 ZINC000093304547 1138235549 /nfs/dbraw/zinc/23/55/49/1138235549.db2.gz VWNDGTROELAYKX-LSDHHAIUSA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)cs1 ZINC000093304547 1138235551 /nfs/dbraw/zinc/23/55/51/1138235551.db2.gz VWNDGTROELAYKX-LSDHHAIUSA-N 1 2 334.485 3.624 20 0 EHADLO C[C@@H]1CCC[C@]1(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000826543291 1138236587 /nfs/dbraw/zinc/23/65/87/1138236587.db2.gz NLWVTEAZVNUXHP-IERDGZPVSA-N 1 2 343.515 3.664 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1(C2CC2)CCC1 ZINC000887199703 1138238136 /nfs/dbraw/zinc/23/81/36/1138238136.db2.gz IZEVFAOPDGFCJF-UHFFFAOYSA-N 1 2 334.489 3.583 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)Cc2ccccc2)s1 ZINC000121990169 1138253363 /nfs/dbraw/zinc/25/33/63/1138253363.db2.gz LOXFJMYZAAATKO-OAHLLOKOSA-N 1 2 345.512 3.665 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccccc2)s1 ZINC000121990169 1138253365 /nfs/dbraw/zinc/25/33/65/1138253365.db2.gz LOXFJMYZAAATKO-OAHLLOKOSA-N 1 2 345.512 3.665 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124064021 1138278947 /nfs/dbraw/zinc/27/89/47/1138278947.db2.gz GOLYRZUCSCWTEM-FZMZJTMJSA-N 1 2 338.238 3.913 20 0 EHADLO O=C(NCCC1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333462038 1138293226 /nfs/dbraw/zinc/29/32/26/1138293226.db2.gz PUDJKQIGSQSXDB-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124742866 1138293608 /nfs/dbraw/zinc/29/36/08/1138293608.db2.gz FTZCLFGCWDWTKC-IEBWSBKVSA-N 1 2 337.467 3.706 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000124751447 1138294106 /nfs/dbraw/zinc/29/41/06/1138294106.db2.gz UDWUQGRKOJUHLU-JXFKEZNVSA-N 1 2 333.435 3.689 20 0 EHADLO CSc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000127093136 1138346604 /nfs/dbraw/zinc/34/66/04/1138346604.db2.gz PNULRBQDJBYVOM-XJKSGUPXSA-N 1 2 330.457 3.720 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000263717518 1138348415 /nfs/dbraw/zinc/34/84/15/1138348415.db2.gz OBYQTSOUOOMFDO-PBHICJAKSA-N 1 2 329.444 3.719 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000263717518 1138348417 /nfs/dbraw/zinc/34/84/17/1138348417.db2.gz OBYQTSOUOOMFDO-PBHICJAKSA-N 1 2 329.444 3.719 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000127545491 1138361771 /nfs/dbraw/zinc/36/17/71/1138361771.db2.gz JODNXUWHDFYEPV-FZMZJTMJSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@H]1n1cc[nH+]c1 ZINC000128353556 1138387247 /nfs/dbraw/zinc/38/72/47/1138387247.db2.gz DTMCCTBAOBJOLX-IUODEOHRSA-N 1 2 341.440 3.608 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000128353129 1138387280 /nfs/dbraw/zinc/38/72/80/1138387280.db2.gz DTMCCTBAOBJOLX-DOMZBBRYSA-N 1 2 341.440 3.608 20 0 EHADLO CCCCCCOc1ccc(C[NH2+]Cc2nncn2CC)cc1OC ZINC000263896021 1138388463 /nfs/dbraw/zinc/38/84/63/1138388463.db2.gz RTNXJGZRTAAAQA-UHFFFAOYSA-N 1 2 346.475 3.556 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128736632 1138396791 /nfs/dbraw/zinc/39/67/91/1138396791.db2.gz UYDILNMIIYYTED-WBVHZDCISA-N 1 2 342.443 3.705 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000263950645 1138396831 /nfs/dbraw/zinc/39/68/31/1138396831.db2.gz OZKFQQWHGXQQBF-HNNXBMFYSA-N 1 2 329.469 3.525 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000128850069 1138399254 /nfs/dbraw/zinc/39/92/54/1138399254.db2.gz FYHBLYJXBGPBLS-KBXCAEBGSA-N 1 2 342.443 3.705 20 0 EHADLO C[N@H+](CCSc1ccccc1F)Cc1nccn1CC(F)(F)F ZINC000264031209 1138408281 /nfs/dbraw/zinc/40/82/81/1138408281.db2.gz AHGCQKCJTGQAFW-UHFFFAOYSA-N 1 2 347.381 3.809 20 0 EHADLO C[N@@H+](CCSc1ccccc1F)Cc1nccn1CC(F)(F)F ZINC000264031209 1138408283 /nfs/dbraw/zinc/40/82/83/1138408283.db2.gz AHGCQKCJTGQAFW-UHFFFAOYSA-N 1 2 347.381 3.809 20 0 EHADLO CC[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000264091977 1138416661 /nfs/dbraw/zinc/41/66/61/1138416661.db2.gz WWFKOXOXJWRNKL-SFHVURJKSA-N 1 2 337.467 3.882 20 0 EHADLO Cc1c2cc(C)ccc2sc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336935719 1138430676 /nfs/dbraw/zinc/43/06/76/1138430676.db2.gz FMNWVCBWUHQODQ-AWEZNQCLSA-N 1 2 339.464 3.881 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000264175912 1138434424 /nfs/dbraw/zinc/43/44/24/1138434424.db2.gz LRZUVTNZCPZCKF-JKSUJKDBSA-N 1 2 325.456 3.971 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000264205773 1138442756 /nfs/dbraw/zinc/44/27/56/1138442756.db2.gz IGOIANSYXAEMGM-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337139262 1138476758 /nfs/dbraw/zinc/47/67/58/1138476758.db2.gz RSHCPMQEHLUBNR-DLBZAZTESA-N 1 2 331.504 3.998 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000337145582 1138479259 /nfs/dbraw/zinc/47/92/59/1138479259.db2.gz XLJVLBQQQJLBHD-KRWDZBQOSA-N 1 2 332.469 3.718 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337151473 1138480535 /nfs/dbraw/zinc/48/05/35/1138480535.db2.gz RWEAGRDZLFPWMK-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904987 1138483360 /nfs/dbraw/zinc/48/33/60/1138483360.db2.gz CRRHRZRCOORTNQ-LXGOIASLSA-N 1 2 327.799 3.558 20 0 EHADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904987 1138483364 /nfs/dbraw/zinc/48/33/64/1138483364.db2.gz CRRHRZRCOORTNQ-LXGOIASLSA-N 1 2 327.799 3.558 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1cn(-c2ccccc2)nn1 ZINC000337204687 1138494642 /nfs/dbraw/zinc/49/46/42/1138494642.db2.gz JCQLYGHYMZHSEP-OAHLLOKOSA-N 1 2 329.407 3.666 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000131257258 1138505131 /nfs/dbraw/zinc/50/51/31/1138505131.db2.gz DAROLAWANANPJS-DOMZBBRYSA-N 1 2 332.835 3.960 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000337249698 1138508566 /nfs/dbraw/zinc/50/85/66/1138508566.db2.gz LZUCFVJFBABFMR-GOSISDBHSA-N 1 2 349.409 3.700 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000264425499 1138511379 /nfs/dbraw/zinc/51/13/79/1138511379.db2.gz ZVIZHKRVQRYGJU-OLZOCXBDSA-N 1 2 328.441 3.547 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2cccs2)o1 ZINC000131403223 1138515420 /nfs/dbraw/zinc/51/54/20/1138515420.db2.gz CQQVQMWOQVDQSL-UKRRQHHQSA-N 1 2 348.468 3.502 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2cccs2)o1 ZINC000131403223 1138515424 /nfs/dbraw/zinc/51/54/24/1138515424.db2.gz CQQVQMWOQVDQSL-UKRRQHHQSA-N 1 2 348.468 3.502 20 0 EHADLO CCc1noc(C)c1C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131633877 1138531854 /nfs/dbraw/zinc/53/18/54/1138531854.db2.gz CXLGXIISSUZUSH-UHFFFAOYSA-N 1 2 329.444 3.892 20 0 EHADLO CCc1noc(C)c1C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131633877 1138531857 /nfs/dbraw/zinc/53/18/57/1138531857.db2.gz CXLGXIISSUZUSH-UHFFFAOYSA-N 1 2 329.444 3.892 20 0 EHADLO Fc1ccccc1[C@@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000337351922 1138541530 /nfs/dbraw/zinc/54/15/30/1138541530.db2.gz XIMFGGBMOYWTMN-OAHLLOKOSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1ccccc1[C@@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000337351922 1138541533 /nfs/dbraw/zinc/54/15/33/1138541533.db2.gz XIMFGGBMOYWTMN-OAHLLOKOSA-N 1 2 326.419 3.600 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337500406 1138587771 /nfs/dbraw/zinc/58/77/71/1138587771.db2.gz LJZMBMTUBSZPLS-WEYZIJJASA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337500406 1138587773 /nfs/dbraw/zinc/58/77/73/1138587773.db2.gz LJZMBMTUBSZPLS-WEYZIJJASA-N 1 2 345.430 3.952 20 0 EHADLO O=C(c1ccc2sccc2c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337574508 1138610364 /nfs/dbraw/zinc/61/03/64/1138610364.db2.gz FJPRUHCWJLKHOX-QGZVFWFLSA-N 1 2 340.423 3.827 20 0 EHADLO Cc1cc(Cl)cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000337610571 1138620299 /nfs/dbraw/zinc/62/02/99/1138620299.db2.gz YBFZHELCLHZXRM-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000337648441 1138633348 /nfs/dbraw/zinc/63/33/48/1138633348.db2.gz IVIBGHUHFGWMFQ-MRXNPFEDSA-N 1 2 335.407 3.943 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000264775855 1138636006 /nfs/dbraw/zinc/63/60/06/1138636006.db2.gz XPDWCQCNHJPSMO-LBPRGKRZSA-N 1 2 348.834 3.873 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264777774 1138636621 /nfs/dbraw/zinc/63/66/21/1138636621.db2.gz XYXYKPGGYUSRGZ-AWEZNQCLSA-N 1 2 328.416 3.608 20 0 EHADLO Cc1nc2ccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000264782556 1138637862 /nfs/dbraw/zinc/63/78/62/1138637862.db2.gz ZAWDPQPKJGRIOF-GFCCVEGCSA-N 1 2 341.440 3.739 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000337666848 1138638623 /nfs/dbraw/zinc/63/86/23/1138638623.db2.gz MRXRLUNLVMPARI-GJZGRUSLSA-N 1 2 332.398 3.792 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337673735 1138640488 /nfs/dbraw/zinc/64/04/88/1138640488.db2.gz KRUIDZZMPWIWNG-AUUYWEPGSA-N 1 2 349.434 3.642 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337673735 1138640491 /nfs/dbraw/zinc/64/04/91/1138640491.db2.gz KRUIDZZMPWIWNG-AUUYWEPGSA-N 1 2 349.434 3.642 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3nc(C(C)(C)C)cs3)[nH+]c12 ZINC000133737889 1138654042 /nfs/dbraw/zinc/65/40/42/1138654042.db2.gz YNTCVHJYJKQXGK-QHCPKHFHSA-N 1 2 347.509 3.846 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000264863064 1138660439 /nfs/dbraw/zinc/66/04/39/1138660439.db2.gz MUCMWPOZYGSFTD-GFCCVEGCSA-N 1 2 334.366 3.571 20 0 EHADLO Cn1cc(-c2ccc(CNc3ccc(N4CCCC4)c[nH+]3)s2)cn1 ZINC000337775267 1138665048 /nfs/dbraw/zinc/66/50/48/1138665048.db2.gz XFZPZPGGFZUCBX-UHFFFAOYSA-N 1 2 339.468 3.756 20 0 EHADLO FC(F)(F)[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC12CCC2 ZINC000337816400 1138674705 /nfs/dbraw/zinc/67/47/05/1138674705.db2.gz OOQMDYPGZWTJFZ-ZDUSSCGKSA-N 1 2 340.393 3.857 20 0 EHADLO FC(F)(F)[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)CC12CCC2 ZINC000337816400 1138674707 /nfs/dbraw/zinc/67/47/07/1138674707.db2.gz OOQMDYPGZWTJFZ-ZDUSSCGKSA-N 1 2 340.393 3.857 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000134495426 1138691612 /nfs/dbraw/zinc/69/16/12/1138691612.db2.gz SBLUSIBOIBHMEO-NRFANRHFSA-N 1 2 349.478 3.705 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000134495426 1138691615 /nfs/dbraw/zinc/69/16/15/1138691615.db2.gz SBLUSIBOIBHMEO-NRFANRHFSA-N 1 2 349.478 3.705 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(COCCc2ccccc2)c1 ZINC000338085344 1138745344 /nfs/dbraw/zinc/74/53/44/1138745344.db2.gz PUQTUZGSUQQSPR-UHFFFAOYSA-N 1 2 349.434 3.671 20 0 EHADLO COCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000338116193 1138756449 /nfs/dbraw/zinc/75/64/49/1138756449.db2.gz XHMCIIKKYJNBSK-UHFFFAOYSA-N 1 2 341.798 3.924 20 0 EHADLO CCc1csc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000338189768 1138781074 /nfs/dbraw/zinc/78/10/74/1138781074.db2.gz GTMQFRMUIHBNOR-UHFFFAOYSA-N 1 2 346.843 3.726 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1F ZINC000338257356 1138802992 /nfs/dbraw/zinc/80/29/92/1138802992.db2.gz LMOHEZKWVBNUSK-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO O=C(Nc1ccc(O)c(Cl)c1)c1c[nH+]ccc1Nc1ccccc1 ZINC001295291770 1138808976 /nfs/dbraw/zinc/80/89/76/1138808976.db2.gz AECQGMSIGZUXNY-UHFFFAOYSA-N 1 2 339.782 3.858 20 0 EHADLO CC(C)(C)n1ncnc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000338279920 1138813594 /nfs/dbraw/zinc/81/35/94/1138813594.db2.gz BNPPRRICBBZJRR-UHFFFAOYSA-N 1 2 330.451 3.627 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000265385665 1138844921 /nfs/dbraw/zinc/84/49/21/1138844921.db2.gz GNOXCZQVYYSSNO-QWRGUYRKSA-N 1 2 341.242 3.639 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000338353181 1138848892 /nfs/dbraw/zinc/84/88/92/1138848892.db2.gz KDNFVOFJEMCIOX-GLJUWKHASA-N 1 2 339.863 3.507 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000338353181 1138848902 /nfs/dbraw/zinc/84/89/02/1138848902.db2.gz KDNFVOFJEMCIOX-GLJUWKHASA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)(C)C1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000265405362 1138864044 /nfs/dbraw/zinc/86/40/44/1138864044.db2.gz ZJJJHRHPPUARLO-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338375138 1138869542 /nfs/dbraw/zinc/86/95/42/1138869542.db2.gz FUFQKGLNXOCQRV-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338375138 1138869553 /nfs/dbraw/zinc/86/95/53/1138869553.db2.gz FUFQKGLNXOCQRV-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000338395252 1138886982 /nfs/dbraw/zinc/88/69/82/1138886982.db2.gz JPBYJVORTODJGB-NZSAHSFTSA-N 1 2 347.503 3.524 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cccnc3)n2)cc1F ZINC000151105506 1139009378 /nfs/dbraw/zinc/00/93/78/1139009378.db2.gz UGLZOGBEXGCSQA-STQMWFEESA-N 1 2 326.375 3.991 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cccnc3)n2)ccc1F ZINC000151112845 1139010673 /nfs/dbraw/zinc/01/06/73/1139010673.db2.gz OHDSBEILAPIIRN-STQMWFEESA-N 1 2 326.375 3.991 20 0 EHADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1cccnc1 ZINC000152468465 1139093858 /nfs/dbraw/zinc/09/38/58/1139093858.db2.gz TZDROTBMSJSKKJ-SUMWQHHRSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1cccnc1 ZINC000152468465 1139093870 /nfs/dbraw/zinc/09/38/70/1139093870.db2.gz TZDROTBMSJSKKJ-SUMWQHHRSA-N 1 2 347.256 3.806 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153363182 1139133548 /nfs/dbraw/zinc/13/35/48/1139133548.db2.gz SZJIKXQSNSFPGV-ZHALLVOQSA-N 1 2 340.471 3.854 20 0 EHADLO CN(CCC(C)(C)C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889542763 1139228229 /nfs/dbraw/zinc/22/82/29/1139228229.db2.gz FSECYOKAEQUYAD-WKILWMFISA-N 1 2 332.492 3.882 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1(C2CCC2)CCC1 ZINC000890246992 1139329811 /nfs/dbraw/zinc/32/98/11/1139329811.db2.gz QWPDWOGXZQAFRW-SFHVURJKSA-N 1 2 338.455 3.646 20 0 EHADLO CCC(CC)N(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890258390 1139332540 /nfs/dbraw/zinc/33/25/40/1139332540.db2.gz FIQYZLQGOZOPHY-IBGZPJMESA-N 1 2 340.471 3.987 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1cccnc1 ZINC000174211742 1139406853 /nfs/dbraw/zinc/40/68/53/1139406853.db2.gz JZELZCCBKREXIJ-AWEZNQCLSA-N 1 2 344.484 3.512 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1 ZINC000174617845 1139430640 /nfs/dbraw/zinc/43/06/40/1139430640.db2.gz AHEKKNRCGTXCRX-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1 ZINC000174617845 1139430649 /nfs/dbraw/zinc/43/06/49/1139430649.db2.gz AHEKKNRCGTXCRX-AWEZNQCLSA-N 1 2 340.423 3.616 20 0 EHADLO CCCCO[C@@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1(C)C ZINC000777289776 1139464541 /nfs/dbraw/zinc/46/45/41/1139464541.db2.gz JJYQREOTRMDFAY-HZPDHXFCSA-N 1 2 338.517 3.703 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000175120898 1139465414 /nfs/dbraw/zinc/46/54/14/1139465414.db2.gz NKYXOEBEYRDTAM-HNNXBMFYSA-N 1 2 328.441 3.864 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000175120898 1139465418 /nfs/dbraw/zinc/46/54/18/1139465418.db2.gz NKYXOEBEYRDTAM-HNNXBMFYSA-N 1 2 328.441 3.864 20 0 EHADLO C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)O1 ZINC000175814494 1139519903 /nfs/dbraw/zinc/51/99/03/1139519903.db2.gz KPQBCQWMNQJRGJ-TZMCWYRMSA-N 1 2 333.819 3.812 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175858667 1139523019 /nfs/dbraw/zinc/52/30/19/1139523019.db2.gz PGABVRMEDLEFAG-NTCAYCPXSA-N 1 2 339.414 3.541 20 0 EHADLO CCC[C@H](CC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176004654 1139533505 /nfs/dbraw/zinc/53/35/05/1139533505.db2.gz AYAXERWVKKCNSW-SFHVURJKSA-N 1 2 346.519 3.908 20 0 EHADLO CC(C)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000176829552 1139580879 /nfs/dbraw/zinc/58/08/79/1139580879.db2.gz HNXVRGGHKLSUOO-PBHICJAKSA-N 1 2 333.863 3.729 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)oc1C ZINC000177171590 1139601093 /nfs/dbraw/zinc/60/10/93/1139601093.db2.gz QGFYIRIHLZGHAQ-UHFFFAOYSA-N 1 2 334.441 3.699 20 0 EHADLO c1ccc2sc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179510590 1139762165 /nfs/dbraw/zinc/76/21/65/1139762165.db2.gz NMVHTJPKLIFOAV-ZDUSSCGKSA-N 1 2 339.468 3.671 20 0 EHADLO c1ccc2sc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179510590 1139762171 /nfs/dbraw/zinc/76/21/71/1139762171.db2.gz NMVHTJPKLIFOAV-ZDUSSCGKSA-N 1 2 339.468 3.671 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cs1 ZINC000179547555 1139763930 /nfs/dbraw/zinc/76/39/30/1139763930.db2.gz USKRMGUCDQXXJU-KRWDZBQOSA-N 1 2 343.496 3.549 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(OC(F)F)cc1 ZINC000179614693 1139768345 /nfs/dbraw/zinc/76/83/45/1139768345.db2.gz NEGLGUCBSRTLQN-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000179609996 1139768561 /nfs/dbraw/zinc/76/85/61/1139768561.db2.gz OKRDZEXKKGOZCG-UHFFFAOYSA-N 1 2 328.460 3.623 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000179609996 1139768568 /nfs/dbraw/zinc/76/85/68/1139768568.db2.gz OKRDZEXKKGOZCG-UHFFFAOYSA-N 1 2 328.460 3.623 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3ncc(C)s3)CC2)cc1 ZINC000180415522 1139833143 /nfs/dbraw/zinc/83/31/43/1139833143.db2.gz DROJEUYCRIYMOJ-UHFFFAOYSA-N 1 2 330.453 3.555 20 0 EHADLO CC(C)(C)OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182496539 1139976288 /nfs/dbraw/zinc/97/62/88/1139976288.db2.gz UQPPZRDATDOOCC-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnc(C4CC4)[nH]3)oc21 ZINC000182656686 1139985193 /nfs/dbraw/zinc/98/51/93/1139985193.db2.gz ZGQDTANECQYHNN-LLVKDONJSA-N 1 2 326.400 3.678 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000182849286 1139997152 /nfs/dbraw/zinc/99/71/52/1139997152.db2.gz HZPLOHQTGRFWGO-CQSZACIVSA-N 1 2 347.484 3.606 20 0 EHADLO COCCc1nc(C)c([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000183150957 1140016114 /nfs/dbraw/zinc/01/61/14/1140016114.db2.gz DIMRZJDQUAZXIA-ZDUSSCGKSA-N 1 2 346.500 3.809 20 0 EHADLO COC1CCC([NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)CC1 ZINC000183162183 1140017278 /nfs/dbraw/zinc/01/72/78/1140017278.db2.gz NNYYKKKDBFWVBN-UYSNPLJNSA-N 1 2 335.835 3.668 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3cccc(Cl)c3)n2)cnn1C ZINC000183303585 1140027991 /nfs/dbraw/zinc/02/79/91/1140027991.db2.gz FWWUXDXCGLEWRJ-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)cnn1C ZINC000183396792 1140035190 /nfs/dbraw/zinc/03/51/90/1140035190.db2.gz WHSVUAYOCYYXPZ-SNVBAGLBSA-N 1 2 332.354 3.513 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000183950621 1140069100 /nfs/dbraw/zinc/06/91/00/1140069100.db2.gz LOASUGORMAMWEP-OAHLLOKOSA-N 1 2 331.410 3.898 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000184582606 1140109658 /nfs/dbraw/zinc/10/96/58/1140109658.db2.gz CUEMMUJZKSMMDQ-CXAGYDPISA-N 1 2 331.460 3.648 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C)c1C)c1ccc(C)o1 ZINC000184634781 1140112732 /nfs/dbraw/zinc/11/27/32/1140112732.db2.gz OWZZTQYMIBLXAT-DOTOQJQBSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cs1 ZINC000184726931 1140117351 /nfs/dbraw/zinc/11/73/51/1140117351.db2.gz KMAUXVNNTNCPNB-CQSZACIVSA-N 1 2 343.496 3.547 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc2cc(Cl)ccc2o1 ZINC000184843589 1140122386 /nfs/dbraw/zinc/12/23/86/1140122386.db2.gz ITUABYWWZCZUSJ-NSHDSACASA-N 1 2 330.819 3.865 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)s1 ZINC000184981986 1140128955 /nfs/dbraw/zinc/12/89/55/1140128955.db2.gz JJHXTLVZPDMVRI-NEPJUHHUSA-N 1 2 337.876 3.633 20 0 EHADLO Cn1c[nH+]cc1CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186508537 1140208049 /nfs/dbraw/zinc/20/80/49/1140208049.db2.gz QWUJKHNQZAWUNC-HNNXBMFYSA-N 1 2 341.402 3.729 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187045692 1140234820 /nfs/dbraw/zinc/23/48/20/1140234820.db2.gz HFNSELBSNCAZOZ-OAHLLOKOSA-N 1 2 334.510 3.874 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187045692 1140234825 /nfs/dbraw/zinc/23/48/25/1140234825.db2.gz HFNSELBSNCAZOZ-OAHLLOKOSA-N 1 2 334.510 3.874 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189141319 1140323043 /nfs/dbraw/zinc/32/30/43/1140323043.db2.gz ANMOKGFZMBJHAY-MRXNPFEDSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189141319 1140323052 /nfs/dbraw/zinc/32/30/52/1140323052.db2.gz ANMOKGFZMBJHAY-MRXNPFEDSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189141299 1140323240 /nfs/dbraw/zinc/32/32/40/1140323240.db2.gz ANMOKGFZMBJHAY-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189141299 1140323244 /nfs/dbraw/zinc/32/32/44/1140323244.db2.gz ANMOKGFZMBJHAY-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(Cl)cc1F ZINC000192172886 1140508203 /nfs/dbraw/zinc/50/82/03/1140508203.db2.gz UKYDUNXJKVOURN-ZUZCIYMTSA-N 1 2 337.830 3.848 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000192248533 1140514030 /nfs/dbraw/zinc/51/40/30/1140514030.db2.gz JBFMKBFDRJIDAF-UHFFFAOYSA-N 1 2 345.462 3.801 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H](C)c1ccccc1 ZINC000192257753 1140515407 /nfs/dbraw/zinc/51/54/07/1140515407.db2.gz JHNCJVBNOWFZCS-KRWDZBQOSA-N 1 2 327.472 3.878 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cocn2)ccc1OCc1ccncc1 ZINC000192288594 1140520414 /nfs/dbraw/zinc/52/04/14/1140520414.db2.gz KWFZMQRHEOKBFT-AWEZNQCLSA-N 1 2 339.395 3.508 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)o1 ZINC000193664978 1140582989 /nfs/dbraw/zinc/58/29/89/1140582989.db2.gz SCNLLOFLVMIXCC-OAHLLOKOSA-N 1 2 337.803 3.587 20 0 EHADLO CCCOc1cccc2c(NCc3nnc(C(C)C)n3C)cc[nH+]c12 ZINC000194736549 1140620068 /nfs/dbraw/zinc/62/00/68/1140620068.db2.gz JIPGVXVWLMQYCC-UHFFFAOYSA-N 1 2 339.443 3.888 20 0 EHADLO CCS(=O)(=O)C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000195161939 1140633351 /nfs/dbraw/zinc/63/33/51/1140633351.db2.gz QILQBNFKSGWQRU-UHFFFAOYSA-N 1 2 349.521 3.814 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cs1 ZINC000266184476 1140652320 /nfs/dbraw/zinc/65/23/20/1140652320.db2.gz GWJHBEJSYXZKMZ-SNVBAGLBSA-N 1 2 328.384 3.742 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cs1 ZINC000266242012 1140659253 /nfs/dbraw/zinc/65/92/53/1140659253.db2.gz XKOODDQGJGXLSG-SNVBAGLBSA-N 1 2 328.384 3.742 20 0 EHADLO Cc1cnc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)o1 ZINC000266723550 1140719166 /nfs/dbraw/zinc/71/91/66/1140719166.db2.gz IGKRKLYHMSIXDV-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO Cc1cnc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)o1 ZINC000266723550 1140719171 /nfs/dbraw/zinc/71/91/71/1140719171.db2.gz IGKRKLYHMSIXDV-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000266836115 1140728054 /nfs/dbraw/zinc/72/80/54/1140728054.db2.gz MXKWZNFVAPDJPV-FHVJIGKUSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000266836115 1140728057 /nfs/dbraw/zinc/72/80/57/1140728057.db2.gz MXKWZNFVAPDJPV-FHVJIGKUSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000267042373 1140753428 /nfs/dbraw/zinc/75/34/28/1140753428.db2.gz HSFGJYCQHMEHJK-GUYCJALGSA-N 1 2 347.256 3.979 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000267042373 1140753430 /nfs/dbraw/zinc/75/34/30/1140753430.db2.gz HSFGJYCQHMEHJK-GUYCJALGSA-N 1 2 347.256 3.979 20 0 EHADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1[C@H](C)c1ccccc1 ZINC000267201513 1140767745 /nfs/dbraw/zinc/76/77/45/1140767745.db2.gz LLSHUYHRQDLVIL-OAHLLOKOSA-N 1 2 336.439 3.676 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267255764 1140772410 /nfs/dbraw/zinc/77/24/10/1140772410.db2.gz CAHJZAPSTNWNND-SJORKVTESA-N 1 2 347.503 3.980 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267420302 1140789227 /nfs/dbraw/zinc/78/92/27/1140789227.db2.gz RRXGXOGYTBPZST-QZTJIDSGSA-N 1 2 343.496 3.726 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CCC3OCCCO3)CCO2)cc1Cl ZINC000267988111 1140861517 /nfs/dbraw/zinc/86/15/17/1140861517.db2.gz ZQCCEAODIFQHEF-OAHLLOKOSA-N 1 2 346.254 3.520 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CCC3OCCCO3)CCO2)cc1Cl ZINC000267988111 1140861527 /nfs/dbraw/zinc/86/15/27/1140861527.db2.gz ZQCCEAODIFQHEF-OAHLLOKOSA-N 1 2 346.254 3.520 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)s1 ZINC000268243730 1140907762 /nfs/dbraw/zinc/90/77/62/1140907762.db2.gz XOQSNUAXAQBITK-UHFFFAOYSA-N 1 2 327.457 3.516 20 0 EHADLO C[C@H]1CCN(c2nc(-c3cccc(Cl)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000268292908 1140915483 /nfs/dbraw/zinc/91/54/83/1140915483.db2.gz VGRHLOXTMYHANT-WFASDCNBSA-N 1 2 343.818 3.674 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268346999 1140923566 /nfs/dbraw/zinc/92/35/66/1140923566.db2.gz BZJDRIWWXWMRPA-KGLIPLIRSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268346999 1140923575 /nfs/dbraw/zinc/92/35/75/1140923575.db2.gz BZJDRIWWXWMRPA-KGLIPLIRSA-N 1 2 337.851 3.535 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc2sccc2c1 ZINC000268362554 1140927519 /nfs/dbraw/zinc/92/75/19/1140927519.db2.gz PXHJLQMCLBLIIK-UHFFFAOYSA-N 1 2 337.448 3.827 20 0 EHADLO C[C@H]1CCCCN1C(=O)c1ccc(NCc2c[nH+]cn2C)cc1Cl ZINC000268447461 1140941129 /nfs/dbraw/zinc/94/11/29/1140941129.db2.gz LUNQIWDUEVFVDB-ZDUSSCGKSA-N 1 2 346.862 3.700 20 0 EHADLO CCC(C)(C)NC(=O)c1ccc(NCc2c[nH+]cn2C)cc1Cl ZINC000268486668 1140946619 /nfs/dbraw/zinc/94/66/19/1140946619.db2.gz UERPRWBGKGHLFL-UHFFFAOYSA-N 1 2 334.851 3.604 20 0 EHADLO COc1ccsc1C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000268825380 1141000978 /nfs/dbraw/zinc/00/09/78/1141000978.db2.gz YWCZHZHBHRUTMM-NSHDSACASA-N 1 2 345.424 3.666 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nncn2C)c(OCCC)c1 ZINC000268929017 1141027726 /nfs/dbraw/zinc/02/77/26/1141027726.db2.gz SHNAKYYDLVDLSZ-LSDHHAIUSA-N 1 2 346.475 3.805 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(C)ccc3ccccc32)n1 ZINC000269005990 1141043490 /nfs/dbraw/zinc/04/34/90/1141043490.db2.gz LGMVYRWWLMNJQT-AWEZNQCLSA-N 1 2 325.412 3.871 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(C)ccc3ccccc32)n1 ZINC000269005990 1141043497 /nfs/dbraw/zinc/04/34/97/1141043497.db2.gz LGMVYRWWLMNJQT-AWEZNQCLSA-N 1 2 325.412 3.871 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000269023161 1141048617 /nfs/dbraw/zinc/04/86/17/1141048617.db2.gz CDGLNPNDXAJDRW-CYBMUJFWSA-N 1 2 327.457 3.698 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269411507 1141105574 /nfs/dbraw/zinc/10/55/74/1141105574.db2.gz FJRGPCABNOKBFN-RDJZCZTQSA-N 1 2 343.496 3.685 20 0 EHADLO CC[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000269729854 1141139264 /nfs/dbraw/zinc/13/92/64/1141139264.db2.gz FYYPDWNKTGMCSL-HNNXBMFYSA-N 1 2 341.455 3.708 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc([C@@H]3CCCO3)s2)o1 ZINC000270051237 1141172953 /nfs/dbraw/zinc/17/29/53/1141172953.db2.gz FAKHAPQPRBYXIJ-ZBFHGGJFSA-N 1 2 336.457 3.627 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC=C(C)CC2)cs1 ZINC000270112748 1141180899 /nfs/dbraw/zinc/18/08/99/1141180899.db2.gz DKVSGFHUZVKELC-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC=C(C)CC2)cs1 ZINC000270112748 1141180902 /nfs/dbraw/zinc/18/09/02/1141180902.db2.gz DKVSGFHUZVKELC-UHFFFAOYSA-N 1 2 341.480 3.785 20 0 EHADLO C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270361701 1141212984 /nfs/dbraw/zinc/21/29/84/1141212984.db2.gz RONDNXFLBIEJND-YOEHRIQHSA-N 1 2 336.439 3.912 20 0 EHADLO CCCCO[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270455343 1141225787 /nfs/dbraw/zinc/22/57/87/1141225787.db2.gz LLODOLRMDGPAQK-HNNXBMFYSA-N 1 2 339.439 3.746 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000270876423 1141278390 /nfs/dbraw/zinc/27/83/90/1141278390.db2.gz CVDRVVZOKANEQW-IXDOHACOSA-N 1 2 345.487 3.590 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000271125177 1141310555 /nfs/dbraw/zinc/31/05/55/1141310555.db2.gz GUVJMYYEVNMGBU-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000271125177 1141310561 /nfs/dbraw/zinc/31/05/61/1141310561.db2.gz GUVJMYYEVNMGBU-QGZVFWFLSA-N 1 2 330.453 3.562 20 0 EHADLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)s1 ZINC000271120297 1141311053 /nfs/dbraw/zinc/31/10/53/1141311053.db2.gz JIJXZJHTGCFYPQ-MRXNPFEDSA-N 1 2 326.469 3.929 20 0 EHADLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)s1 ZINC000271120297 1141311062 /nfs/dbraw/zinc/31/10/62/1141311062.db2.gz JIJXZJHTGCFYPQ-MRXNPFEDSA-N 1 2 326.469 3.929 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000271144051 1141313555 /nfs/dbraw/zinc/31/35/55/1141313555.db2.gz GMOCMVXDNGKYTP-UHFFFAOYSA-N 1 2 345.859 3.637 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000271144051 1141313562 /nfs/dbraw/zinc/31/35/62/1141313562.db2.gz GMOCMVXDNGKYTP-UHFFFAOYSA-N 1 2 345.859 3.637 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271147417 1141314345 /nfs/dbraw/zinc/31/43/45/1141314345.db2.gz IKBUVORVRWOQKN-UHFFFAOYSA-N 1 2 345.516 3.905 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271147417 1141314351 /nfs/dbraw/zinc/31/43/51/1141314351.db2.gz IKBUVORVRWOQKN-UHFFFAOYSA-N 1 2 345.516 3.905 20 0 EHADLO COCOc1ccc(OC)cc1CNc1ccc([NH+]2CCCC2)cc1 ZINC000271190142 1141321817 /nfs/dbraw/zinc/32/18/17/1141321817.db2.gz GJKZTVUAVFTFMF-UHFFFAOYSA-N 1 2 342.439 3.890 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1C ZINC000271328673 1141346660 /nfs/dbraw/zinc/34/66/60/1141346660.db2.gz QUKRQYFSJOOSCM-FQEVSTJZSA-N 1 2 346.434 3.861 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000271398135 1141357327 /nfs/dbraw/zinc/35/73/27/1141357327.db2.gz LAWFUWKCSWWPFA-NVXWUHKLSA-N 1 2 330.476 3.544 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)cs1 ZINC000271529501 1141388762 /nfs/dbraw/zinc/38/87/62/1141388762.db2.gz NXCIEJZAFHJSKH-CYBMUJFWSA-N 1 2 342.468 3.541 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nonc2C)cc1OC ZINC000271645117 1141411803 /nfs/dbraw/zinc/41/18/03/1141411803.db2.gz DEHRRXSAWBIBGB-CYBMUJFWSA-N 1 2 333.432 3.806 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)n[nH]1 ZINC000271662930 1141414443 /nfs/dbraw/zinc/41/44/43/1141414443.db2.gz VLUDJJRRMQFJJJ-UHFFFAOYSA-N 1 2 345.397 3.843 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)[nH]n1 ZINC000271662930 1141414447 /nfs/dbraw/zinc/41/44/47/1141414447.db2.gz VLUDJJRRMQFJJJ-UHFFFAOYSA-N 1 2 345.397 3.843 20 0 EHADLO CCc1nnc(C[N@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273872396 1141437664 /nfs/dbraw/zinc/43/76/64/1141437664.db2.gz QKBDEUCOUOWKGV-UHFFFAOYSA-N 1 2 348.244 3.684 20 0 EHADLO CCc1nnc(C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273872396 1141437667 /nfs/dbraw/zinc/43/76/67/1141437667.db2.gz QKBDEUCOUOWKGV-UHFFFAOYSA-N 1 2 348.244 3.684 20 0 EHADLO C[N@H+](Cc1ccc(C(F)F)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000274015752 1141462719 /nfs/dbraw/zinc/46/27/19/1141462719.db2.gz BJBYIXBPSZIXGG-UHFFFAOYSA-N 1 2 339.407 3.660 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000274015752 1141462724 /nfs/dbraw/zinc/46/27/24/1141462724.db2.gz BJBYIXBPSZIXGG-UHFFFAOYSA-N 1 2 339.407 3.660 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274332036 1141498213 /nfs/dbraw/zinc/49/82/13/1141498213.db2.gz RGUWKVWHJBSROV-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274332036 1141498216 /nfs/dbraw/zinc/49/82/16/1141498216.db2.gz RGUWKVWHJBSROV-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CC(C)c1noc2ncc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc21 ZINC000339132476 1141505089 /nfs/dbraw/zinc/50/50/89/1141505089.db2.gz JEZNYDROEXZKDY-UHFFFAOYSA-N 1 2 347.378 3.784 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)no3)ccc2[nH+]1 ZINC000339130476 1141505667 /nfs/dbraw/zinc/50/56/67/1141505667.db2.gz WCCNZHWSLZZWJJ-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000339146778 1141509542 /nfs/dbraw/zinc/50/95/42/1141509542.db2.gz XFKBENOUWPRASO-HNNXBMFYSA-N 1 2 335.407 3.891 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](CC(N)=O)Cc3ccccc3)o2)cc1 ZINC000339244107 1141538798 /nfs/dbraw/zinc/53/87/98/1141538798.db2.gz WIRZUOVEWOAXLI-UHFFFAOYSA-N 1 2 334.419 3.743 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](CC(N)=O)Cc3ccccc3)o2)cc1 ZINC000339244107 1141538803 /nfs/dbraw/zinc/53/88/03/1141538803.db2.gz WIRZUOVEWOAXLI-UHFFFAOYSA-N 1 2 334.419 3.743 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572558 1141553198 /nfs/dbraw/zinc/55/31/98/1141553198.db2.gz CGFXJAHOLQAHQQ-IAGOWNOFSA-N 1 2 339.483 3.650 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572558 1141553200 /nfs/dbraw/zinc/55/32/00/1141553200.db2.gz CGFXJAHOLQAHQQ-IAGOWNOFSA-N 1 2 339.483 3.650 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000348700056 1141567530 /nfs/dbraw/zinc/56/75/30/1141567530.db2.gz BSFHWNAOCMJCFO-SFHVURJKSA-N 1 2 341.846 3.976 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000348700056 1141567532 /nfs/dbraw/zinc/56/75/32/1141567532.db2.gz BSFHWNAOCMJCFO-SFHVURJKSA-N 1 2 341.846 3.976 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+]CCSCc2ccccc2)n1 ZINC000348784359 1141579587 /nfs/dbraw/zinc/57/95/87/1141579587.db2.gz MJKRWBOYMPUYSM-UHFFFAOYSA-N 1 2 338.423 3.705 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842872 1141594305 /nfs/dbraw/zinc/59/43/05/1141594305.db2.gz MBEXDPNVTFCXNQ-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842872 1141594308 /nfs/dbraw/zinc/59/43/08/1141594308.db2.gz MBEXDPNVTFCXNQ-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+](CCOC)Cc1cccnc1 ZINC000348961312 1141616238 /nfs/dbraw/zinc/61/62/38/1141616238.db2.gz DVZNNECTDHORRR-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+](CCOC)Cc1cccnc1 ZINC000348961312 1141616239 /nfs/dbraw/zinc/61/62/39/1141616239.db2.gz DVZNNECTDHORRR-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311066 216147460 /nfs/dbraw/zinc/14/74/60/216147460.db2.gz FIGJLMWLZLGTCW-ILXRZTDVSA-N 1 2 339.480 3.583 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311066 216147462 /nfs/dbraw/zinc/14/74/62/216147462.db2.gz FIGJLMWLZLGTCW-ILXRZTDVSA-N 1 2 339.480 3.583 20 0 EHADLO COc1cc(NCc2ccc(F)c(C)c2)[nH+]cc1Br ZINC000095447477 218392133 /nfs/dbraw/zinc/39/21/33/218392133.db2.gz WPTSHTNFMVQLFB-UHFFFAOYSA-N 1 2 325.181 3.912 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000122640809 222129007 /nfs/dbraw/zinc/12/90/07/222129007.db2.gz IDXSDWSGBSAGAK-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000122640809 222129008 /nfs/dbraw/zinc/12/90/08/222129008.db2.gz IDXSDWSGBSAGAK-AAEUAGOBSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1cccc(NS(C)(=O)=O)c1 ZINC000532269507 477921019 /nfs/dbraw/zinc/92/10/19/477921019.db2.gz KPWBKJIEVOZETG-UHFFFAOYSA-N 1 2 341.436 3.527 20 0 EHADLO Cc1n[nH]cc1C1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000367966733 526544437 /nfs/dbraw/zinc/54/44/37/526544437.db2.gz QMKGOILJMKJDOQ-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1Cl ZINC000736818818 599130934 /nfs/dbraw/zinc/13/09/34/599130934.db2.gz XVAYMOLUDLYFFN-UHFFFAOYSA-N 1 2 348.237 3.806 20 0 EHADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1Cl ZINC000736818818 599130936 /nfs/dbraw/zinc/13/09/36/599130936.db2.gz XVAYMOLUDLYFFN-UHFFFAOYSA-N 1 2 348.237 3.806 20 0 EHADLO CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000826106158 604628515 /nfs/dbraw/zinc/62/85/15/604628515.db2.gz UDXLWGKWZQWFAM-IBGZPJMESA-N 1 2 349.434 3.814 20 0 EHADLO CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000826106159 604628633 /nfs/dbraw/zinc/62/86/33/604628633.db2.gz UDXLWGKWZQWFAM-LJQANCHMSA-N 1 2 349.434 3.814 20 0 EHADLO Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000822741045 606099011 /nfs/dbraw/zinc/09/90/11/606099011.db2.gz QOBPTFIHLHPKGU-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000822741045 606099016 /nfs/dbraw/zinc/09/90/16/606099016.db2.gz QOBPTFIHLHPKGU-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000822757650 607071024 /nfs/dbraw/zinc/07/10/24/607071024.db2.gz BARVPTTYZYJSOL-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000822757650 607071026 /nfs/dbraw/zinc/07/10/26/607071026.db2.gz BARVPTTYZYJSOL-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000182440068 1032059933 /nfs/dbraw/zinc/05/99/33/1032059933.db2.gz SCEYAVXRGPJYHI-KBPBESRZSA-N 1 2 338.411 3.690 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001602928242 971892356 /nfs/dbraw/zinc/89/23/56/971892356.db2.gz INGDCJDXGIKWMM-QGZVFWFLSA-N 1 2 341.455 3.716 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001602928242 971892360 /nfs/dbraw/zinc/89/23/60/971892360.db2.gz INGDCJDXGIKWMM-QGZVFWFLSA-N 1 2 341.455 3.716 20 0 EHADLO CCc1nc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cs1 ZINC000459409988 1032076104 /nfs/dbraw/zinc/07/61/04/1032076104.db2.gz ZKTQRKCMBHAKKA-UHFFFAOYSA-N 1 2 332.498 3.890 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)cc1Br ZINC001141927916 1024028488 /nfs/dbraw/zinc/02/84/88/1024028488.db2.gz PYDMTENXHRCVDK-ONGXEEELSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)cc1Br ZINC001141927916 1024028507 /nfs/dbraw/zinc/02/85/07/1024028507.db2.gz PYDMTENXHRCVDK-ONGXEEELSA-N 1 2 348.643 3.710 20 0 EHADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123506 1024311561 /nfs/dbraw/zinc/31/15/61/1024311561.db2.gz LOGRQNWMLOXJRG-IRXDYDNUSA-N 1 2 332.469 3.640 20 0 EHADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123506 1024311579 /nfs/dbraw/zinc/31/15/79/1024311579.db2.gz LOGRQNWMLOXJRG-IRXDYDNUSA-N 1 2 332.469 3.640 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)ccc2[nH+]1 ZINC000339272489 1014139095 /nfs/dbraw/zinc/13/90/95/1014139095.db2.gz HHVZWKZGNCVWPX-UHFFFAOYSA-N 1 2 344.374 3.663 20 0 EHADLO Cc1cn2cc(NC(=O)c3csc(-c4ccc(C)o4)n3)ccc2[nH+]1 ZINC000339269877 1014135878 /nfs/dbraw/zinc/13/58/78/1014135878.db2.gz NBQBFNQPFFLMPB-UHFFFAOYSA-N 1 2 338.392 3.920 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(C)(C)CC3)cn2c1 ZINC000339300090 1014189506 /nfs/dbraw/zinc/18/95/06/1014189506.db2.gz AEVBHJWHFKHYSG-UHFFFAOYSA-N 1 2 331.485 3.525 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)s1 ZINC000339348000 1014266668 /nfs/dbraw/zinc/26/66/68/1014266668.db2.gz YGJNREPEERLPLC-UHFFFAOYSA-N 1 2 344.509 3.790 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3c(C)cccc3Cl)[nH+]c12 ZINC000683116213 1014367917 /nfs/dbraw/zinc/36/79/17/1014367917.db2.gz MWGBFVGUXZIAKR-UHFFFAOYSA-N 1 2 341.842 3.506 20 0 EHADLO CC(C)CCn1ncc(NC(=O)CCCn2cc[nH+]c2)c1C(C)C ZINC000683137358 1014471288 /nfs/dbraw/zinc/47/12/88/1014471288.db2.gz AEOGJUOLCZVJRM-UHFFFAOYSA-N 1 2 331.464 3.668 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000654847239 1014478392 /nfs/dbraw/zinc/47/83/92/1014478392.db2.gz DXTCMOCBBCQMTR-ZQIUZPCESA-N 1 2 329.444 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000654847239 1014478401 /nfs/dbraw/zinc/47/84/01/1014478401.db2.gz DXTCMOCBBCQMTR-ZQIUZPCESA-N 1 2 329.444 3.744 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1cccc(Br)c1F ZINC000449022153 1032093249 /nfs/dbraw/zinc/09/32/49/1032093249.db2.gz HESSAHSGMRXIBF-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1cccc(Br)c1F ZINC000449022153 1032093260 /nfs/dbraw/zinc/09/32/60/1032093260.db2.gz HESSAHSGMRXIBF-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339476220 1014549281 /nfs/dbraw/zinc/54/92/81/1014549281.db2.gz LTIQAOPCOKIZMR-STQMWFEESA-N 1 2 349.887 3.570 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OC2CCC2)cc1 ZINC000079715729 1032096249 /nfs/dbraw/zinc/09/62/49/1032096249.db2.gz LEEWKKNUMOTADJ-SFHVURJKSA-N 1 2 341.455 3.659 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683160453 1014626071 /nfs/dbraw/zinc/62/60/71/1014626071.db2.gz MSVCUSYNKGFUGY-IBGZPJMESA-N 1 2 338.455 3.697 20 0 EHADLO O=C(Nc1cc(CC2CCCCC2)[nH]n1)Nc1ccc2[nH+]ccn2c1 ZINC000683165124 1014666681 /nfs/dbraw/zinc/66/66/81/1014666681.db2.gz SMAWVHOVOZQOJK-UHFFFAOYSA-N 1 2 338.415 3.824 20 0 EHADLO Brc1ncc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)s1 ZINC001139913473 1014713341 /nfs/dbraw/zinc/71/33/41/1014713341.db2.gz CNRJHFCFYQBEGB-LLVKDONJSA-N 1 2 338.274 3.680 20 0 EHADLO Brc1ncc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)s1 ZINC001139913473 1014713353 /nfs/dbraw/zinc/71/33/53/1014713353.db2.gz CNRJHFCFYQBEGB-LLVKDONJSA-N 1 2 338.274 3.680 20 0 EHADLO COc1ccccc1COC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000092422692 1014755637 /nfs/dbraw/zinc/75/56/37/1014755637.db2.gz BFMGKWDBGWCOHF-UHFFFAOYSA-N 1 2 344.455 3.988 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC(C)(C)C)C[C@@H](C)O1 ZINC000047063068 1014862092 /nfs/dbraw/zinc/86/20/92/1014862092.db2.gz XGYASZYUQVYSDI-HZPDHXFCSA-N 1 2 347.503 3.854 20 0 EHADLO COc1cccc2[nH+]c(NCc3ccc(-c4ncon4)cc3)ccc21 ZINC001167066601 1014919788 /nfs/dbraw/zinc/91/97/88/1014919788.db2.gz SBTAFIAJAZMTMT-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCC[C@@H]3C3CCC3)c2=S)cc1C ZINC000728198732 1014948071 /nfs/dbraw/zinc/94/80/71/1014948071.db2.gz DRVLYBBNCDXNBY-QGZVFWFLSA-N 1 2 343.500 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCC[C@@H]3C3CCC3)c2=S)cc1C ZINC000728198732 1014948077 /nfs/dbraw/zinc/94/80/77/1014948077.db2.gz DRVLYBBNCDXNBY-QGZVFWFLSA-N 1 2 343.500 3.637 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H](C2CCC2)C1 ZINC000620204651 1125500501 /nfs/dbraw/zinc/50/05/01/1125500501.db2.gz RKQYYGTYMKSQSL-IBGZPJMESA-N 1 2 337.467 3.513 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000134412884 1015336627 /nfs/dbraw/zinc/33/66/27/1015336627.db2.gz PCZAIHQQXIDBCH-UHFFFAOYSA-N 1 2 349.887 3.646 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000066610598 1015389237 /nfs/dbraw/zinc/38/92/37/1015389237.db2.gz MYYLKKUDIPDMFO-CVEARBPZSA-N 1 2 331.504 3.731 20 0 EHADLO CC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000339636985 1015442589 /nfs/dbraw/zinc/44/25/89/1015442589.db2.gz CAXLHNBLCCSICQ-SFHVURJKSA-N 1 2 343.496 3.727 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1F ZINC000274846981 1015480458 /nfs/dbraw/zinc/48/04/58/1015480458.db2.gz GNWOSGDUYYDDJB-LBPRGKRZSA-N 1 2 349.837 3.886 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1c[nH]nc1C(C)(C)C ZINC000179610027 1015483224 /nfs/dbraw/zinc/48/32/24/1015483224.db2.gz VYEHVRFFUHJJIF-UHFFFAOYSA-N 1 2 342.487 3.866 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1c[nH]nc1C(C)(C)C ZINC000179610027 1015483229 /nfs/dbraw/zinc/48/32/29/1015483229.db2.gz VYEHVRFFUHJJIF-UHFFFAOYSA-N 1 2 342.487 3.866 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C2CC2)cc1Cl ZINC000655384124 1015490181 /nfs/dbraw/zinc/49/01/81/1015490181.db2.gz LQJCLFLODBJVKC-LBPRGKRZSA-N 1 2 345.830 3.624 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OC)cc1Cl ZINC000683257194 1015550470 /nfs/dbraw/zinc/55/04/70/1015550470.db2.gz TXTMGVDFCSBMOP-UHFFFAOYSA-N 1 2 349.862 3.660 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339742804 1015643084 /nfs/dbraw/zinc/64/30/84/1015643084.db2.gz JYMPUUTWRFPBHQ-CQSZACIVSA-N 1 2 325.437 3.826 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339831912 1015719822 /nfs/dbraw/zinc/71/98/22/1015719822.db2.gz QGOGVIQVAQRFEQ-CQSZACIVSA-N 1 2 340.389 3.536 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339831912 1015719826 /nfs/dbraw/zinc/71/98/26/1015719826.db2.gz QGOGVIQVAQRFEQ-CQSZACIVSA-N 1 2 340.389 3.536 20 0 EHADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000063308472 1015721957 /nfs/dbraw/zinc/72/19/57/1015721957.db2.gz UXTGGTXARBMKOP-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000063308472 1015721965 /nfs/dbraw/zinc/72/19/65/1015721965.db2.gz UXTGGTXARBMKOP-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)(F)F ZINC000339848112 1015749075 /nfs/dbraw/zinc/74/90/75/1015749075.db2.gz RXHXAYFXWPVGGL-NSHDSACASA-N 1 2 335.329 3.739 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)no2)cc1 ZINC000246147496 1015788637 /nfs/dbraw/zinc/78/86/37/1015788637.db2.gz OOKVCCAJIOHEMJ-CVEARBPZSA-N 1 2 345.468 3.605 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)no2)cc1 ZINC000246147496 1015788641 /nfs/dbraw/zinc/78/86/41/1015788641.db2.gz OOKVCCAJIOHEMJ-CVEARBPZSA-N 1 2 345.468 3.605 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258211 994540146 /nfs/dbraw/zinc/54/01/46/994540146.db2.gz XSZGOVKEOLIJEI-DOTOQJQBSA-N 1 2 342.439 3.541 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258211 994540152 /nfs/dbraw/zinc/54/01/52/994540152.db2.gz XSZGOVKEOLIJEI-DOTOQJQBSA-N 1 2 342.439 3.541 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)sc2C1 ZINC000547758262 1015875092 /nfs/dbraw/zinc/87/50/92/1015875092.db2.gz SCPSIFLLWKRVRK-NWDGAFQWSA-N 1 2 344.484 3.830 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc(C(=O)[O-])cs1 ZINC001593305554 994764791 /nfs/dbraw/zinc/76/47/91/994764791.db2.gz WZKFCKMFBGROKL-CYBMUJFWSA-N 1 2 341.436 3.542 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1C ZINC000180714004 1016029199 /nfs/dbraw/zinc/02/91/99/1016029199.db2.gz PKMJMVLBRFKVBN-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1C ZINC000180714004 1016029208 /nfs/dbraw/zinc/02/92/08/1016029208.db2.gz PKMJMVLBRFKVBN-UHFFFAOYSA-N 1 2 344.480 3.828 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000180806225 1016043151 /nfs/dbraw/zinc/04/31/51/1016043151.db2.gz NTPPZQSRIRGSEA-HKUYNNGSSA-N 1 2 341.455 3.586 20 0 EHADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N(C)[C@H](C)c1ccccc1OC ZINC001167108489 1016050351 /nfs/dbraw/zinc/05/03/51/1016050351.db2.gz FCOPHJAZJRQAPG-AUECHBEKSA-N 1 2 340.423 3.782 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000081317259 1016051453 /nfs/dbraw/zinc/05/14/53/1016051453.db2.gz HJGQRLVPTCVCBL-CVTTXWKISA-N 1 2 349.409 3.673 20 0 EHADLO CCc1nc(N2CCC[C@@H]2c2ccc(OC)cc2OC)cc(C)[nH+]1 ZINC000339969141 1016086461 /nfs/dbraw/zinc/08/64/61/1016086461.db2.gz OLIVZPPJUJNVJT-MRXNPFEDSA-N 1 2 327.428 3.706 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C2CC2)cc1 ZINC000668410965 1032140095 /nfs/dbraw/zinc/14/00/95/1032140095.db2.gz SRRFPFCQXCNVPW-AWEZNQCLSA-N 1 2 334.423 3.772 20 0 EHADLO COc1ccc2c(CC(=O)Nc3cccc(-n4cc[nH+]c4)c3)coc2c1 ZINC000047514937 1016143391 /nfs/dbraw/zinc/14/33/91/1016143391.db2.gz PKGHWSXYAZEYPF-UHFFFAOYSA-N 1 2 347.374 3.808 20 0 EHADLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccccc1 ZINC000047533639 1016148980 /nfs/dbraw/zinc/14/89/80/1016148980.db2.gz CHYMOYOZYQQYML-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374947 999413430 /nfs/dbraw/zinc/41/34/30/999413430.db2.gz VDHCHCNUPMOPHF-LSDHHAIUSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374947 999413431 /nfs/dbraw/zinc/41/34/31/999413431.db2.gz VDHCHCNUPMOPHF-LSDHHAIUSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374947 999413432 /nfs/dbraw/zinc/41/34/32/999413432.db2.gz VDHCHCNUPMOPHF-LSDHHAIUSA-N 1 2 336.501 3.533 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001594374947 999413434 /nfs/dbraw/zinc/41/34/34/999413434.db2.gz VDHCHCNUPMOPHF-LSDHHAIUSA-N 1 2 336.501 3.533 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000510170191 1016322246 /nfs/dbraw/zinc/32/22/46/1016322246.db2.gz XNZMIWDNBPFPAW-UHFFFAOYSA-N 1 2 342.443 3.803 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155259297 1016367409 /nfs/dbraw/zinc/36/74/09/1016367409.db2.gz JBUZXXFUJHPRPQ-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155259297 1016367421 /nfs/dbraw/zinc/36/74/21/1016367421.db2.gz JBUZXXFUJHPRPQ-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182888840 1032147509 /nfs/dbraw/zinc/14/75/09/1032147509.db2.gz PEAUPZMVIMOATQ-SFHVURJKSA-N 1 2 339.439 3.552 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000588169061 1016423656 /nfs/dbraw/zinc/42/36/56/1016423656.db2.gz QQVWFQSWEWRZGW-SFHVURJKSA-N 1 2 344.455 3.768 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000588169061 1016423664 /nfs/dbraw/zinc/42/36/64/1016423664.db2.gz QQVWFQSWEWRZGW-SFHVURJKSA-N 1 2 344.455 3.768 20 0 EHADLO Cc1cc(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)nc(C2CC2)[nH+]1 ZINC001167176209 1016481618 /nfs/dbraw/zinc/48/16/18/1016481618.db2.gz XJPYSOCMHSQNMJ-GASCZTMLSA-N 1 2 343.434 3.697 20 0 EHADLO CCOc1ccc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000683383571 1016531430 /nfs/dbraw/zinc/53/14/30/1016531430.db2.gz DRLHVLRFFHYPDW-AWEZNQCLSA-N 1 2 344.484 3.602 20 0 EHADLO CCOc1ccc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000683383571 1016531447 /nfs/dbraw/zinc/53/14/47/1016531447.db2.gz DRLHVLRFFHYPDW-AWEZNQCLSA-N 1 2 344.484 3.602 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCCC[C@@H]4C3)cn2c1 ZINC000178315459 1016593750 /nfs/dbraw/zinc/59/37/50/1016593750.db2.gz SHUTXILGSZZSCX-HZPDHXFCSA-N 1 2 343.496 3.525 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000589160027 1016610718 /nfs/dbraw/zinc/61/07/18/1016610718.db2.gz YDAWRSMBWFIASU-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080562498 1032148797 /nfs/dbraw/zinc/14/87/97/1032148797.db2.gz BJMJLDVZVSPGMB-INIZCTEOSA-N 1 2 334.851 3.623 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000340250160 1016786893 /nfs/dbraw/zinc/78/68/93/1016786893.db2.gz HWDCOHPXQNCFJY-GTNSWQLSSA-N 1 2 346.356 3.705 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841199 1016795952 /nfs/dbraw/zinc/79/59/52/1016795952.db2.gz ROLPHPFKSFFJNH-OWCLPIDISA-N 1 2 339.483 3.704 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841199 1016795961 /nfs/dbraw/zinc/79/59/61/1016795961.db2.gz ROLPHPFKSFFJNH-OWCLPIDISA-N 1 2 339.483 3.704 20 0 EHADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000706015525 1016840084 /nfs/dbraw/zinc/84/00/84/1016840084.db2.gz KMPUQVYXHHYKOT-BZNIZROVSA-N 1 2 345.349 3.620 20 0 EHADLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000155416744 1016868874 /nfs/dbraw/zinc/86/88/74/1016868874.db2.gz ACLZLCWDDDXFLW-UHFFFAOYSA-N 1 2 347.434 3.511 20 0 EHADLO c1ccc2c(c1)O[C@@H](c1noc([C@@H]3CC[N@H+]3C3CCCC3)n1)CS2 ZINC000924044618 1017066012 /nfs/dbraw/zinc/06/60/12/1017066012.db2.gz JYYPEHMUZCPJPJ-DZGCQCFKSA-N 1 2 343.452 3.985 20 0 EHADLO c1ccc2c(c1)O[C@@H](c1noc([C@@H]3CC[N@@H+]3C3CCCC3)n1)CS2 ZINC000924044618 1017066026 /nfs/dbraw/zinc/06/60/26/1017066026.db2.gz JYYPEHMUZCPJPJ-DZGCQCFKSA-N 1 2 343.452 3.985 20 0 EHADLO Cc1occc1C(=O)NC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000183040805 1032157556 /nfs/dbraw/zinc/15/75/56/1032157556.db2.gz DFWCGMMKLZUDBL-UHFFFAOYSA-N 1 2 347.484 3.562 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cn(C)nc2C(F)(F)F)c(Cl)c1 ZINC000459458894 1032159901 /nfs/dbraw/zinc/15/99/01/1032159901.db2.gz ZLLRCDFSRCPXSM-UHFFFAOYSA-N 1 2 335.732 3.830 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(O)c1 ZINC000080921102 1032204790 /nfs/dbraw/zinc/20/47/90/1032204790.db2.gz QEIXOBBGKFYDKG-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(O)c1 ZINC000080921102 1032204801 /nfs/dbraw/zinc/20/48/01/1032204801.db2.gz QEIXOBBGKFYDKG-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO CCO[C@@H](C)c1nc(CN2CC[NH+](C/C=C(\C)Cl)CC2)cs1 ZINC000528387060 1032207259 /nfs/dbraw/zinc/20/72/59/1032207259.db2.gz CUUDLJLEODTVDQ-GUVYXZIWSA-N 1 2 343.924 3.501 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000080969533 1032231737 /nfs/dbraw/zinc/23/17/37/1032231737.db2.gz KGWWFQPUUIXBQX-UHFFFAOYSA-N 1 2 345.324 3.996 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183865110 1032235201 /nfs/dbraw/zinc/23/52/01/1032235201.db2.gz QPWBAVHDMAZFIU-OAHLLOKOSA-N 1 2 346.862 3.580 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c1 ZINC000343760162 1032247733 /nfs/dbraw/zinc/24/77/33/1032247733.db2.gz SRWSSBNGIBUQJR-UHFFFAOYSA-N 1 2 329.469 3.767 20 0 EHADLO CCn1nncc1C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000459539326 1032258701 /nfs/dbraw/zinc/25/87/01/1032258701.db2.gz SYRGUMDZLMPQLG-OAHLLOKOSA-N 1 2 325.243 3.846 20 0 EHADLO CC1=CCC[C@H](C)[C@@H]1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000538271844 1032261745 /nfs/dbraw/zinc/26/17/45/1032261745.db2.gz WCRHTYOINJXAPY-QFBILLFUSA-N 1 2 329.488 3.695 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000538275004 1032263099 /nfs/dbraw/zinc/26/30/99/1032263099.db2.gz PTGMSSHNUYJBPH-XPGWFJOJSA-N 1 2 345.462 3.834 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2sccc2Cl)cc1OC ZINC000842023400 1033326391 /nfs/dbraw/zinc/32/63/91/1033326391.db2.gz DJFWGXBNPZAFBQ-UHFFFAOYSA-N 1 2 340.832 3.660 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@H]1SC ZINC000459554148 1032273023 /nfs/dbraw/zinc/27/30/23/1032273023.db2.gz CVYQPHGJPXYVSG-RCCFBDPRSA-N 1 2 331.485 3.810 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)n1 ZINC000449186538 1032302350 /nfs/dbraw/zinc/30/23/50/1032302350.db2.gz COQGJGAOTSMALB-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)n1 ZINC000449186538 1032302352 /nfs/dbraw/zinc/30/23/52/1032302352.db2.gz COQGJGAOTSMALB-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184877632 1032327240 /nfs/dbraw/zinc/32/72/40/1032327240.db2.gz UGLPLKGNJFIPHE-MRXNPFEDSA-N 1 2 349.434 3.617 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886451 1032329930 /nfs/dbraw/zinc/32/99/30/1032329930.db2.gz KYSORGOSHGBXRO-UONOGXRCSA-N 1 2 329.444 3.686 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)c1ccccc1 ZINC000538388013 1032333028 /nfs/dbraw/zinc/33/30/28/1032333028.db2.gz YGJIDSLSOIGFMM-IAGOWNOFSA-N 1 2 333.435 3.853 20 0 EHADLO CC(C)c1nocc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000528465525 1032333993 /nfs/dbraw/zinc/33/39/93/1032333993.db2.gz OGIHRZLAWWMSOD-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)[nH]c1C ZINC000449217731 1032335613 /nfs/dbraw/zinc/33/56/13/1032335613.db2.gz BHVHUIALSFLNIS-LJQANCHMSA-N 1 2 338.407 3.972 20 0 EHADLO C[N@H+](Cc1cc(CO)ccc1F)[C@@]1(c2ccccc2)CCCCC1=O ZINC000528465444 1032334133 /nfs/dbraw/zinc/33/41/33/1032334133.db2.gz KGZJDUNTQRQHHF-OAQYLSRUSA-N 1 2 341.426 3.788 20 0 EHADLO C[N@@H+](Cc1cc(CO)ccc1F)[C@@]1(c2ccccc2)CCCCC1=O ZINC000528465444 1032334144 /nfs/dbraw/zinc/33/41/44/1032334144.db2.gz KGZJDUNTQRQHHF-OAQYLSRUSA-N 1 2 341.426 3.788 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185021577 1032339685 /nfs/dbraw/zinc/33/96/85/1032339685.db2.gz XWPQWSSSBZSIPW-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)c(C)[nH+]1 ZINC000184950353 1032347795 /nfs/dbraw/zinc/34/77/95/1032347795.db2.gz PHGRWACVPMNROI-UHFFFAOYSA-N 1 2 342.349 3.723 20 0 EHADLO CCSCc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)no1 ZINC000185134235 1032351704 /nfs/dbraw/zinc/35/17/04/1032351704.db2.gz PSCDALAMCMWPLE-UHFFFAOYSA-N 1 2 328.397 3.570 20 0 EHADLO CCCCN(Cc1c(C)oc(C)c1C)C(=O)NCCCn1cc[nH+]c1 ZINC000905151938 1032363050 /nfs/dbraw/zinc/36/30/50/1032363050.db2.gz PSWMNGUUBZJMOJ-UHFFFAOYSA-N 1 2 346.475 3.803 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2cccc(F)c2)CCCC1 ZINC000118724906 1032364360 /nfs/dbraw/zinc/36/43/60/1032364360.db2.gz IUMACPHMEMWMOL-UHFFFAOYSA-N 1 2 341.430 3.651 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@H](C)C3(C)CC3)c(=S)n2C)cc1 ZINC000176834269 1032374366 /nfs/dbraw/zinc/37/43/66/1032374366.db2.gz JHSPSJBQVUZZIX-CYBMUJFWSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C3(C)CC3)c(=S)n2C)cc1 ZINC000176834269 1032374373 /nfs/dbraw/zinc/37/43/73/1032374373.db2.gz JHSPSJBQVUZZIX-CYBMUJFWSA-N 1 2 346.500 3.705 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1nc2c(s1)CCC2 ZINC000459635018 1032381094 /nfs/dbraw/zinc/38/10/94/1032381094.db2.gz OBZHRJVVHJIMTK-JTQLQIEISA-N 1 2 335.860 3.575 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000584397726 1032383390 /nfs/dbraw/zinc/38/33/90/1032383390.db2.gz RGQFKLWQZLGMJS-NXHRZFHOSA-N 1 2 326.444 3.627 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000459661753 1032388900 /nfs/dbraw/zinc/38/89/00/1032388900.db2.gz RNJBBKNQFMNQGI-GFCCVEGCSA-N 1 2 327.350 3.613 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)cc1 ZINC000055566678 1032395061 /nfs/dbraw/zinc/39/50/61/1032395061.db2.gz DCHJMZPACJQIKZ-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cnc(C)o2)c(Br)c1 ZINC000459680511 1032408575 /nfs/dbraw/zinc/40/85/75/1032408575.db2.gz VMZVAQFTSXDLRF-VIFPVBQESA-N 1 2 325.206 3.605 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449288035 1032413074 /nfs/dbraw/zinc/41/30/74/1032413074.db2.gz MEGCBSDQMILKJE-KRWDZBQOSA-N 1 2 344.434 3.576 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449288035 1032413082 /nfs/dbraw/zinc/41/30/82/1032413082.db2.gz MEGCBSDQMILKJE-KRWDZBQOSA-N 1 2 344.434 3.576 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536911519 1032423669 /nfs/dbraw/zinc/42/36/69/1032423669.db2.gz PDXJZMYCMQZXMA-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536911519 1032423674 /nfs/dbraw/zinc/42/36/74/1032423674.db2.gz PDXJZMYCMQZXMA-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1nccs1 ZINC000118848369 1032424873 /nfs/dbraw/zinc/42/48/73/1032424873.db2.gz DOLWOFFDCBSUTK-UHFFFAOYSA-N 1 2 343.374 3.625 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1ccn(C)n1 ZINC000459772330 1032461953 /nfs/dbraw/zinc/46/19/53/1032461953.db2.gz ZQLNXJPIBBUKDK-SSDOTTSWSA-N 1 2 334.670 3.748 20 0 EHADLO Cc1[nH+]c(NCc2cnc(C3CCC3)s2)ccc1-c1cnn(C)c1 ZINC000449345547 1032460027 /nfs/dbraw/zinc/46/00/27/1032460027.db2.gz ILBUQILMRKFVMB-UHFFFAOYSA-N 1 2 339.468 3.549 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000173535461 1033382065 /nfs/dbraw/zinc/38/20/65/1033382065.db2.gz SCPRMQHASDKKCT-ZDUSSCGKSA-N 1 2 336.427 3.836 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000173535461 1033382083 /nfs/dbraw/zinc/38/20/83/1033382083.db2.gz SCPRMQHASDKKCT-ZDUSSCGKSA-N 1 2 336.427 3.836 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000449373584 1032487303 /nfs/dbraw/zinc/48/73/03/1032487303.db2.gz SBLMDWVJQCDGIX-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000449373584 1032487310 /nfs/dbraw/zinc/48/73/10/1032487310.db2.gz SBLMDWVJQCDGIX-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO Cc1sc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1-c1ccc(F)cc1 ZINC000087121159 1032497084 /nfs/dbraw/zinc/49/70/84/1032497084.db2.gz FAFBBWSMPXSCTO-LBPRGKRZSA-N 1 2 343.427 3.878 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000528591630 1032498650 /nfs/dbraw/zinc/49/86/50/1032498650.db2.gz HMPYNGAHTBOZKZ-UHFFFAOYSA-N 1 2 347.409 3.934 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000528591630 1032498653 /nfs/dbraw/zinc/49/86/53/1032498653.db2.gz HMPYNGAHTBOZKZ-UHFFFAOYSA-N 1 2 347.409 3.934 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)[nH]1 ZINC000449405854 1032526705 /nfs/dbraw/zinc/52/67/05/1032526705.db2.gz OUOFHWBTCPUXBH-UHFFFAOYSA-N 1 2 346.381 3.973 20 0 EHADLO c1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc(OCC2CCCCC2)c1 ZINC000449405153 1032528819 /nfs/dbraw/zinc/52/88/19/1032528819.db2.gz IJYTVKBVUZKKLJ-UHFFFAOYSA-N 1 2 340.471 3.931 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000449428281 1032545369 /nfs/dbraw/zinc/54/53/69/1032545369.db2.gz TYYRIWJOKPWZHV-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000449428281 1032545376 /nfs/dbraw/zinc/54/53/76/1032545376.db2.gz TYYRIWJOKPWZHV-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1nc(-c2ccncc2)cs1 ZINC000537193643 1032553372 /nfs/dbraw/zinc/55/33/72/1032553372.db2.gz UNRCLXGZFKBCDF-MLGOLLRUSA-N 1 2 339.468 3.741 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457385 1032575236 /nfs/dbraw/zinc/57/52/36/1032575236.db2.gz GGABNSLCNIBBMD-MNOVXSKESA-N 1 2 342.390 3.763 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457385 1032575244 /nfs/dbraw/zinc/57/52/44/1032575244.db2.gz GGABNSLCNIBBMD-MNOVXSKESA-N 1 2 342.390 3.763 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)nn1 ZINC000449462974 1032612509 /nfs/dbraw/zinc/61/25/09/1032612509.db2.gz VBTRMVQRQMLRDO-UONOGXRCSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)nn1 ZINC000449462974 1032612517 /nfs/dbraw/zinc/61/25/17/1032612517.db2.gz VBTRMVQRQMLRDO-UONOGXRCSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)nn1 ZINC000449462975 1032613868 /nfs/dbraw/zinc/61/38/68/1032613868.db2.gz VBTRMVQRQMLRDO-ZIAGYGMSSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)nn1 ZINC000449462975 1032613875 /nfs/dbraw/zinc/61/38/75/1032613875.db2.gz VBTRMVQRQMLRDO-ZIAGYGMSSA-N 1 2 338.377 3.739 20 0 EHADLO O[C@]1(C(F)F)CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449467125 1032617951 /nfs/dbraw/zinc/61/79/51/1032617951.db2.gz IKCSSEIPGCWLID-OAHLLOKOSA-N 1 2 344.814 3.665 20 0 EHADLO O[C@]1(C(F)F)CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449467125 1032617963 /nfs/dbraw/zinc/61/79/63/1032617963.db2.gz IKCSSEIPGCWLID-OAHLLOKOSA-N 1 2 344.814 3.665 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCCc2sccc2C1 ZINC000592981966 1032651828 /nfs/dbraw/zinc/65/18/28/1032651828.db2.gz TZNNRGCKDUPFIG-LLVKDONJSA-N 1 2 336.407 3.802 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCCc2sccc2C1 ZINC000592981966 1032651841 /nfs/dbraw/zinc/65/18/41/1032651841.db2.gz TZNNRGCKDUPFIG-LLVKDONJSA-N 1 2 336.407 3.802 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000606365856 1032652831 /nfs/dbraw/zinc/65/28/31/1032652831.db2.gz YIKVNPTWCOGPIK-HKUYNNGSSA-N 1 2 325.456 3.939 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)cc1 ZINC000592984227 1032656400 /nfs/dbraw/zinc/65/64/00/1032656400.db2.gz VSWBAKLYRIWMER-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)cc1 ZINC000592984227 1032656413 /nfs/dbraw/zinc/65/64/13/1032656413.db2.gz VSWBAKLYRIWMER-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)sc3C)CC2)s1 ZINC000606395388 1032669910 /nfs/dbraw/zinc/66/99/10/1032669910.db2.gz GOOXYJCSTFUCCI-UHFFFAOYSA-N 1 2 348.537 3.947 20 0 EHADLO CC1(C)OCC[C@H]1[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000579916818 1017164828 /nfs/dbraw/zinc/16/48/28/1017164828.db2.gz MWJRSOZTAHVXBA-MSOLQXFVSA-N 1 2 349.434 3.983 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1SC(F)(F)F ZINC000890855824 1017169361 /nfs/dbraw/zinc/16/93/61/1017169361.db2.gz BTQFLUZVAUARQX-UHFFFAOYSA-N 1 2 343.374 3.592 20 0 EHADLO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000547883752 1017183206 /nfs/dbraw/zinc/18/32/06/1017183206.db2.gz CMHNNIBZGLWPCV-WBVHZDCISA-N 1 2 329.444 3.981 20 0 EHADLO CCC[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000683518756 1017255469 /nfs/dbraw/zinc/25/54/69/1017255469.db2.gz JIYVBLMSKZXYDO-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO CCC[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000683518756 1017255477 /nfs/dbraw/zinc/25/54/77/1017255477.db2.gz JIYVBLMSKZXYDO-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892778801 1017409595 /nfs/dbraw/zinc/40/95/95/1017409595.db2.gz NJYANDFFJDCDAC-LFPIHBKWSA-N 1 2 343.496 3.987 20 0 EHADLO CCCC[N@H+](Cc1cc(C(=O)OCC)no1)Cc1ccccc1F ZINC001167294735 1017410378 /nfs/dbraw/zinc/41/03/78/1017410378.db2.gz WFIVVALIRFVYBT-UHFFFAOYSA-N 1 2 334.391 3.793 20 0 EHADLO CCCC[N@@H+](Cc1cc(C(=O)OCC)no1)Cc1ccccc1F ZINC001167294735 1017410387 /nfs/dbraw/zinc/41/03/87/1017410387.db2.gz WFIVVALIRFVYBT-UHFFFAOYSA-N 1 2 334.391 3.793 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000625323089 1017445878 /nfs/dbraw/zinc/44/58/78/1017445878.db2.gz ZAABYVQNSBMOGI-OAHLLOKOSA-N 1 2 345.748 3.888 20 0 EHADLO COCc1cc[nH+]c(NCc2ccccc2OCC(F)(F)F)c1 ZINC000650243593 1017449606 /nfs/dbraw/zinc/44/96/06/1017449606.db2.gz GTDPPZPBFSXYDR-UHFFFAOYSA-N 1 2 326.318 3.781 20 0 EHADLO CCn1cc(C[NH2+]Cc2oc3ccccc3c2Br)cn1 ZINC000655737384 1017495675 /nfs/dbraw/zinc/49/56/75/1017495675.db2.gz AHWQWLFHIXKHFZ-UHFFFAOYSA-N 1 2 334.217 3.702 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655773972 1017566276 /nfs/dbraw/zinc/56/62/76/1017566276.db2.gz MCZORHDULASWJE-UHFFFAOYSA-N 1 2 342.487 3.719 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1C ZINC000091581755 1032709496 /nfs/dbraw/zinc/70/94/96/1032709496.db2.gz WBNOFVFTOKPYRW-YJBOKZPZSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1C ZINC000091581755 1032709504 /nfs/dbraw/zinc/70/95/04/1032709504.db2.gz WBNOFVFTOKPYRW-YJBOKZPZSA-N 1 2 343.423 3.818 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CCCC2)cc1 ZINC000655795174 1017627261 /nfs/dbraw/zinc/62/72/61/1017627261.db2.gz YYFNHLZEPWXSAV-FUHWJXTLSA-N 1 2 344.434 3.816 20 0 EHADLO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000655796688 1017630286 /nfs/dbraw/zinc/63/02/86/1017630286.db2.gz IRDIOXIYXGSMNY-XUJVJEKNSA-N 1 2 334.851 3.591 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1OCCC(C)C ZINC000549217018 1017668749 /nfs/dbraw/zinc/66/87/49/1017668749.db2.gz GBHXDIHZSCFTLJ-UHFFFAOYSA-N 1 2 342.443 3.549 20 0 EHADLO Fc1ccc(C2CC([NH2+][C@@H](c3cccs3)c3nnc[nH]3)C2)cc1 ZINC000340418752 1017679220 /nfs/dbraw/zinc/67/92/20/1017679220.db2.gz UNZQLHHALCFPGJ-PXCJXSSVSA-N 1 2 328.416 3.631 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ncc(Br)cn1 ZINC000340423377 1017729475 /nfs/dbraw/zinc/72/94/75/1017729475.db2.gz MKOFBCBFFIKDHW-BMIGLBTASA-N 1 2 348.244 3.673 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1nccn1-c1ccccc1 ZINC000377408332 1017764423 /nfs/dbraw/zinc/76/44/23/1017764423.db2.gz PZBLRCPYHCDSPX-CQSZACIVSA-N 1 2 333.395 3.706 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655847130 1017766229 /nfs/dbraw/zinc/76/62/29/1017766229.db2.gz QYVWNDYIKUHIBP-UHFFFAOYSA-N 1 2 339.418 3.890 20 0 EHADLO c1ccc(N2Cc3cccc(N[C@@H]4CCC45CCOCC5)c3C2)[nH+]c1 ZINC000574138401 1032729639 /nfs/dbraw/zinc/72/96/39/1032729639.db2.gz HTLTZXXNWXPPSG-LJQANCHMSA-N 1 2 335.451 3.973 20 0 EHADLO CCS[C@H](C)c1noc(CN(C)c2cc(C)[nH+]c(C3CCC3)n2)n1 ZINC000892946248 1017875378 /nfs/dbraw/zinc/87/53/78/1017875378.db2.gz WOOXZWBJHVSXHK-GFCCVEGCSA-N 1 2 347.488 3.886 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccn(C)n1 ZINC000547981456 1017923549 /nfs/dbraw/zinc/92/35/49/1017923549.db2.gz BQGICGLMOXAORY-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1(C)C ZINC000275655779 1017937920 /nfs/dbraw/zinc/93/79/20/1017937920.db2.gz WVCZVGWYBFIFEX-SWLSCSKDSA-N 1 2 325.412 3.657 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000175394523 1017988846 /nfs/dbraw/zinc/98/88/46/1017988846.db2.gz NYDGRBGITADPHK-NPMABZOXSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000175394523 1017988850 /nfs/dbraw/zinc/98/88/50/1017988850.db2.gz NYDGRBGITADPHK-NPMABZOXSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000528763470 1032736323 /nfs/dbraw/zinc/73/63/23/1032736323.db2.gz BYZQUJZFMCDDNH-OAHLLOKOSA-N 1 2 348.393 3.932 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000528763470 1032736336 /nfs/dbraw/zinc/73/63/36/1032736336.db2.gz BYZQUJZFMCDDNH-OAHLLOKOSA-N 1 2 348.393 3.932 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)nn1 ZINC000377625532 1018080192 /nfs/dbraw/zinc/08/01/92/1018080192.db2.gz MUURLBGZVJLEIB-YWZLYKJASA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)nn1 ZINC000377625532 1018080206 /nfs/dbraw/zinc/08/02/06/1018080206.db2.gz MUURLBGZVJLEIB-YWZLYKJASA-N 1 2 333.439 3.554 20 0 EHADLO CC1(C)Cc2cccc(C[NH2+]Cc3ccn(Cc4ccccc4)n3)c2O1 ZINC000389676655 1032742016 /nfs/dbraw/zinc/74/20/16/1032742016.db2.gz XHWBIKSXUWODFR-UHFFFAOYSA-N 1 2 347.462 3.935 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2ccc(-c3ccc(F)cc3)n2)cc1F ZINC000728706149 1018139428 /nfs/dbraw/zinc/13/94/28/1018139428.db2.gz BBFVASMZRPLPJC-UHFFFAOYSA-N 1 2 343.377 3.926 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2ccc(-c3ccc(F)cc3)n2)cc1F ZINC000728706149 1018139438 /nfs/dbraw/zinc/13/94/38/1018139438.db2.gz BBFVASMZRPLPJC-UHFFFAOYSA-N 1 2 343.377 3.926 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000122082297 1018177926 /nfs/dbraw/zinc/17/79/26/1018177926.db2.gz BUKBKXFADNQUAL-SJORKVTESA-N 1 2 340.471 3.509 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000683726883 1018200631 /nfs/dbraw/zinc/20/06/31/1018200631.db2.gz NILKQOZMJGIYEM-UHFFFAOYSA-N 1 2 347.459 3.599 20 0 EHADLO Clc1ccc(CCCC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)s1 ZINC000340530406 1018233422 /nfs/dbraw/zinc/23/34/22/1018233422.db2.gz XMSRFRMEKTZZQQ-OAHLLOKOSA-N 1 2 347.875 3.617 20 0 EHADLO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC000089336071 1018289397 /nfs/dbraw/zinc/28/93/97/1018289397.db2.gz ACBPBMQYRNZDRF-GFCCVEGCSA-N 1 2 340.254 3.718 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000042532588 1018335561 /nfs/dbraw/zinc/33/55/61/1018335561.db2.gz JLUBWALPYFBHLX-ZDUSSCGKSA-N 1 2 347.509 3.570 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000377766045 1018335713 /nfs/dbraw/zinc/33/57/13/1018335713.db2.gz KAMJHELUIFLCTJ-RTBURBONSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000377766045 1018335723 /nfs/dbraw/zinc/33/57/23/1018335723.db2.gz KAMJHELUIFLCTJ-RTBURBONSA-N 1 2 341.430 3.545 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377808381 1018392334 /nfs/dbraw/zinc/39/23/34/1018392334.db2.gz FEAHBFJVWWLQFC-NSHDSACASA-N 1 2 330.457 3.584 20 0 EHADLO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000377802628 1018398366 /nfs/dbraw/zinc/39/83/66/1018398366.db2.gz LWYAMGYEYVXHAC-UHFFFAOYSA-N 1 2 344.724 3.603 20 0 EHADLO O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc2[nH+]ccn2c1 ZINC000606583486 1032765889 /nfs/dbraw/zinc/76/58/89/1032765889.db2.gz CXVNHTANRDNLAS-UHFFFAOYSA-N 1 2 333.395 3.570 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000893103409 1018499808 /nfs/dbraw/zinc/49/98/08/1018499808.db2.gz HIQYKFJCAFQTNB-OAHLLOKOSA-N 1 2 338.459 3.512 20 0 EHADLO Cc1nc(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)co1 ZINC000659873143 1018580477 /nfs/dbraw/zinc/58/04/77/1018580477.db2.gz GHFNIVVELJKWED-KRWDZBQOSA-N 1 2 345.830 3.584 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1F ZINC000340590656 1018594325 /nfs/dbraw/zinc/59/43/25/1018594325.db2.gz FTUIVWYSIKKCIN-HNNXBMFYSA-N 1 2 344.405 3.792 20 0 EHADLO Cc1cn2cc(NC(=O)NCCSc3ccccc3)ccc2[nH+]1 ZINC000340595216 1018603118 /nfs/dbraw/zinc/60/31/18/1018603118.db2.gz FTUVVKXXPNNORY-UHFFFAOYSA-N 1 2 326.425 3.557 20 0 EHADLO CC(C)N(C(=O)C[N@H+](C)Cc1cc(Br)cs1)C(C)C ZINC000047751973 1018606544 /nfs/dbraw/zinc/60/65/44/1018606544.db2.gz HYMYEIWTNWTDQD-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](C)Cc1cc(Br)cs1)C(C)C ZINC000047751973 1018606553 /nfs/dbraw/zinc/60/65/53/1018606553.db2.gz HYMYEIWTNWTDQD-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO CCOc1cccc(Cl)c1C[NH2+][C@@H](CO)c1ccccc1OC ZINC000580091237 1018628001 /nfs/dbraw/zinc/62/80/01/1018628001.db2.gz UGWFTNMBISMBIY-INIZCTEOSA-N 1 2 335.831 3.571 20 0 EHADLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1nc3ccccc3s1)C2 ZINC001167354043 1018650047 /nfs/dbraw/zinc/65/00/47/1018650047.db2.gz WYTKRSZFKGIBNZ-UHFFFAOYSA-N 1 2 337.448 3.602 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3ccccc3s1)C2 ZINC001167354043 1018650053 /nfs/dbraw/zinc/65/00/53/1018650053.db2.gz WYTKRSZFKGIBNZ-UHFFFAOYSA-N 1 2 337.448 3.602 20 0 EHADLO COc1cc(Nc2cc(Br)cn3cc[nH+]c23)cc(C)n1 ZINC001210775559 1018655105 /nfs/dbraw/zinc/65/51/05/1018655105.db2.gz XNXNBJMZCBSSCU-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO CC[N@@H+](Cc1ccc2cnccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000683822498 1018704756 /nfs/dbraw/zinc/70/47/56/1018704756.db2.gz INTDVKNAAYPBBL-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO CC[N@H+](Cc1ccc2cnccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000683822498 1018704766 /nfs/dbraw/zinc/70/47/66/1018704766.db2.gz INTDVKNAAYPBBL-UHFFFAOYSA-N 1 2 344.418 3.906 20 0 EHADLO CCc1nnc(C[NH2+][C@H]2CCc3ccc(Br)cc32)s1 ZINC000290177333 1018725564 /nfs/dbraw/zinc/72/55/64/1018725564.db2.gz NESLLPKMTAGRDF-LBPRGKRZSA-N 1 2 338.274 3.640 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683829862 1018742303 /nfs/dbraw/zinc/74/23/03/1018742303.db2.gz FXISNJYTJSBIRP-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1ccoc1 ZINC000052442635 1018815151 /nfs/dbraw/zinc/81/51/51/1018815151.db2.gz HNQJHVZOJWMGJJ-UHFFFAOYSA-N 1 2 338.407 3.533 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1ccoc1 ZINC000052442635 1018815168 /nfs/dbraw/zinc/81/51/68/1018815168.db2.gz HNQJHVZOJWMGJJ-UHFFFAOYSA-N 1 2 338.407 3.533 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCSC[C@H]3C3CCC3)n2)cc1 ZINC000419359786 1018849428 /nfs/dbraw/zinc/84/94/28/1018849428.db2.gz KWCNDKGQPJMPMU-KRWDZBQOSA-N 1 2 343.496 3.572 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCSC[C@H]3C3CCC3)n2)cc1 ZINC000419359786 1018849446 /nfs/dbraw/zinc/84/94/46/1018849446.db2.gz KWCNDKGQPJMPMU-KRWDZBQOSA-N 1 2 343.496 3.572 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000246469485 1018852610 /nfs/dbraw/zinc/85/26/10/1018852610.db2.gz PYHPAGSTTGYGES-GPMSIDNRSA-N 1 2 338.455 3.735 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000052164045 1018853587 /nfs/dbraw/zinc/85/35/87/1018853587.db2.gz FZJYIFAQXHDCBI-UHFFFAOYSA-N 1 2 331.387 3.723 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000052164045 1018853613 /nfs/dbraw/zinc/85/36/13/1018853613.db2.gz FZJYIFAQXHDCBI-UHFFFAOYSA-N 1 2 331.387 3.723 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000052164259 1018853769 /nfs/dbraw/zinc/85/37/69/1018853769.db2.gz IOVMKDMPCBOTTQ-OAHLLOKOSA-N 1 2 344.430 3.534 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000052164259 1018853779 /nfs/dbraw/zinc/85/37/79/1018853779.db2.gz IOVMKDMPCBOTTQ-OAHLLOKOSA-N 1 2 344.430 3.534 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ccc(OC3CCCCC3)nc2)on1 ZINC000924888507 1018877982 /nfs/dbraw/zinc/87/79/82/1018877982.db2.gz ZXGIGYBDFGBOJF-ZDUSSCGKSA-N 1 2 331.416 3.641 20 0 EHADLO C[C@@H](CNc1cc(NC[C@H](C)c2ccccn2)[nH+]cn1)c1ccccn1 ZINC000664148285 1018945375 /nfs/dbraw/zinc/94/53/75/1018945375.db2.gz JGGMYVTYZKBCJB-HOTGVXAUSA-N 1 2 348.454 3.698 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2(C)CC2)C[C@H](C)O1 ZINC000279966347 1018948831 /nfs/dbraw/zinc/94/88/31/1018948831.db2.gz IPODHPXWGXJGDY-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052456039 1018957360 /nfs/dbraw/zinc/95/73/60/1018957360.db2.gz IXXYSWWIYACLIF-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052456039 1018957374 /nfs/dbraw/zinc/95/73/74/1018957374.db2.gz IXXYSWWIYACLIF-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO COc1cc(F)ccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255338358 1018962536 /nfs/dbraw/zinc/96/25/36/1018962536.db2.gz KGHIUNXWDKJXFH-WTKPLQERSA-N 1 2 337.354 3.672 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccccc3OC[C@@H]2C)c(C)[nH+]1 ZINC000408462119 1019000370 /nfs/dbraw/zinc/00/03/70/1019000370.db2.gz CKIRKPVBLHHNKF-AWEZNQCLSA-N 1 2 325.412 3.822 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1F)c1cccc(F)c1 ZINC000513121530 1019029923 /nfs/dbraw/zinc/02/99/23/1019029923.db2.gz FHRLYRIOKWPYCM-SFHVURJKSA-N 1 2 337.341 3.672 20 0 EHADLO COC(=O)c1sc(Oc2cccc(-n3cc[nH+]c3)c2)nc1Cl ZINC000092656028 1032804097 /nfs/dbraw/zinc/80/40/97/1032804097.db2.gz HITLDYCWOYUTNJ-UHFFFAOYSA-N 1 2 335.772 3.561 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc2ncccc21 ZINC000340639321 1019052652 /nfs/dbraw/zinc/05/26/52/1019052652.db2.gz QJQQVWIZZLKCGT-UHFFFAOYSA-N 1 2 342.402 3.756 20 0 EHADLO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cnc[nH]2)cc1 ZINC000894186234 1019097289 /nfs/dbraw/zinc/09/72/89/1019097289.db2.gz AGVKIIQWZKEXBA-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO CCC1CCC([N@H+](Cn2nc(C(F)(F)F)ccc2=O)C2CC2)CC1 ZINC000178856474 1019124833 /nfs/dbraw/zinc/12/48/33/1019124833.db2.gz XRRHGVIYGRBKTP-UHFFFAOYSA-N 1 2 343.393 3.653 20 0 EHADLO CCC1CCC([N@@H+](Cn2nc(C(F)(F)F)ccc2=O)C2CC2)CC1 ZINC000178856474 1019124843 /nfs/dbraw/zinc/12/48/43/1019124843.db2.gz XRRHGVIYGRBKTP-UHFFFAOYSA-N 1 2 343.393 3.653 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167933066 1019161620 /nfs/dbraw/zinc/16/16/20/1019161620.db2.gz AHPIODBPUNFKCK-MUQADHOPSA-N 1 2 326.465 3.982 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167933066 1019161625 /nfs/dbraw/zinc/16/16/25/1019161625.db2.gz AHPIODBPUNFKCK-MUQADHOPSA-N 1 2 326.465 3.982 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)c(C)[nH+]1 ZINC000408467616 1019228926 /nfs/dbraw/zinc/22/89/26/1019228926.db2.gz OSBNSBCOZSRFRV-CWTRNNRKSA-N 1 2 333.476 3.706 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(F)cccc1Cl ZINC000030216857 1019231388 /nfs/dbraw/zinc/23/13/88/1019231388.db2.gz QXDLYVHNIGORPK-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000729251171 1019250013 /nfs/dbraw/zinc/25/00/13/1019250013.db2.gz NCLGSRUYABPVHA-HNNXBMFYSA-N 1 2 342.458 3.777 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000255941186 1019254023 /nfs/dbraw/zinc/25/40/23/1019254023.db2.gz OHJYULSLPNVGBL-PXNSSMCTSA-N 1 2 337.467 3.560 20 0 EHADLO O=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052816926 1019275305 /nfs/dbraw/zinc/27/53/05/1019275305.db2.gz QCOMBFQFHAIKPZ-UHFFFAOYSA-N 1 2 335.860 3.751 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccccc1F)[C@H]2C ZINC000580416334 1019333801 /nfs/dbraw/zinc/33/38/01/1019333801.db2.gz DELHUSPSHRNGAZ-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccccc1F)[C@H]2C ZINC000580416334 1019333819 /nfs/dbraw/zinc/33/38/19/1019333819.db2.gz DELHUSPSHRNGAZ-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471576519 1019345838 /nfs/dbraw/zinc/34/58/38/1019345838.db2.gz DDLLVAOGBGSHEC-IPELMVKDSA-N 1 2 348.450 3.666 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000433569607 1019400995 /nfs/dbraw/zinc/40/09/95/1019400995.db2.gz RXCWUILDMRIIOT-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000513473300 1019722961 /nfs/dbraw/zinc/72/29/61/1019722961.db2.gz VOWMSJIHURNOHF-AWEZNQCLSA-N 1 2 327.371 3.594 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000513473300 1019722979 /nfs/dbraw/zinc/72/29/79/1019722979.db2.gz VOWMSJIHURNOHF-AWEZNQCLSA-N 1 2 327.371 3.594 20 0 EHADLO CC1CCN(c2cccc(NC(=O)CCCn3cc[nH+]c3)c2)CC1 ZINC000606791518 1032854276 /nfs/dbraw/zinc/85/42/76/1032854276.db2.gz DHYTUKZYYKESEO-UHFFFAOYSA-N 1 2 326.444 3.538 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc2ccccc2o1 ZINC000471611171 1019883267 /nfs/dbraw/zinc/88/32/67/1019883267.db2.gz PDVWEEYZAHUWQL-GOSISDBHSA-N 1 2 339.443 3.706 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c1 ZINC000656275770 1019884222 /nfs/dbraw/zinc/88/42/22/1019884222.db2.gz YBVLNVYWRATETO-UHFFFAOYSA-N 1 2 327.424 3.626 20 0 EHADLO COCCCOc1cccc(C[N@H+]2Cc3ccc(OC)cc3C2)c1 ZINC000656275770 1019884236 /nfs/dbraw/zinc/88/42/36/1019884236.db2.gz YBVLNVYWRATETO-UHFFFAOYSA-N 1 2 327.424 3.626 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1C ZINC000050447843 1019931045 /nfs/dbraw/zinc/93/10/45/1019931045.db2.gz BPOSBNHKGIGXPQ-HOTGVXAUSA-N 1 2 344.842 3.780 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506249 1019948267 /nfs/dbraw/zinc/94/82/67/1019948267.db2.gz VYZBUFZUAQNLAQ-JXFKEZNVSA-N 1 2 343.471 3.604 20 0 EHADLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506249 1019948272 /nfs/dbraw/zinc/94/82/72/1019948272.db2.gz VYZBUFZUAQNLAQ-JXFKEZNVSA-N 1 2 343.471 3.604 20 0 EHADLO COc1ccc(-c2ccnc(NC[C@@H]3CCCn4cc(C)[nH+]c43)n2)cc1 ZINC000580755402 1019986032 /nfs/dbraw/zinc/98/60/32/1019986032.db2.gz TUOIUAOGNSPEEH-INIZCTEOSA-N 1 2 349.438 3.647 20 0 EHADLO CN(C)c1ncc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)s1 ZINC000093015523 1032867244 /nfs/dbraw/zinc/86/72/44/1032867244.db2.gz YJOKPDHKCJBOFE-UHFFFAOYSA-N 1 2 343.452 3.710 20 0 EHADLO CN(C)c1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)s1 ZINC000093015523 1032867260 /nfs/dbraw/zinc/86/72/60/1032867260.db2.gz YJOKPDHKCJBOFE-UHFFFAOYSA-N 1 2 343.452 3.710 20 0 EHADLO Cc1c(Br)ccc(NC(=O)CCCn2cc[nH+]c2)c1F ZINC000684070685 1020051583 /nfs/dbraw/zinc/05/15/83/1020051583.db2.gz VFWFZXVDDAEIJT-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000280117381 1020072886 /nfs/dbraw/zinc/07/28/86/1020072886.db2.gz UYQPPRKUEKKOOC-UHFFFAOYSA-N 1 2 339.418 3.769 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000280117381 1020072895 /nfs/dbraw/zinc/07/28/95/1020072895.db2.gz UYQPPRKUEKKOOC-UHFFFAOYSA-N 1 2 339.418 3.769 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)c(C)c1 ZINC000280121753 1020076521 /nfs/dbraw/zinc/07/65/21/1020076521.db2.gz SDIGYHSKHURKSE-KRWDZBQOSA-N 1 2 346.434 3.514 20 0 EHADLO OCc1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1F ZINC001211431637 1020093493 /nfs/dbraw/zinc/09/34/93/1020093493.db2.gz DKLJYCIPPVTIBH-UHFFFAOYSA-N 1 2 347.187 3.794 20 0 EHADLO CC(C)c1occc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000280129892 1020123331 /nfs/dbraw/zinc/12/33/31/1020123331.db2.gz XUGGIKXAHHHGKU-UHFFFAOYSA-N 1 2 327.428 3.718 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000580862273 1020156062 /nfs/dbraw/zinc/15/60/62/1020156062.db2.gz OWVIWZDPDFIPRS-DOMZBBRYSA-N 1 2 343.818 3.595 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000580862273 1020156079 /nfs/dbraw/zinc/15/60/79/1020156079.db2.gz OWVIWZDPDFIPRS-DOMZBBRYSA-N 1 2 343.818 3.595 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000292027483 1020211471 /nfs/dbraw/zinc/21/14/71/1020211471.db2.gz PUVJKVXAOHCQCK-LJQANCHMSA-N 1 2 334.423 3.620 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345413813 1020230570 /nfs/dbraw/zinc/23/05/70/1020230570.db2.gz LYKYQVGAHYRBKJ-OAHLLOKOSA-N 1 2 340.354 3.569 20 0 EHADLO C[C@H]1CCC[C@H]1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345417804 1020232201 /nfs/dbraw/zinc/23/22/01/1020232201.db2.gz QDACITBKHABBMC-RDJZCZTQSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606934881 1032887102 /nfs/dbraw/zinc/88/71/02/1032887102.db2.gz CECSHWLIKDSXIE-QLFBSQMISA-N 1 2 334.891 3.876 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606934881 1032887120 /nfs/dbraw/zinc/88/71/20/1032887120.db2.gz CECSHWLIKDSXIE-QLFBSQMISA-N 1 2 334.891 3.876 20 0 EHADLO c1coc([C@@H](CNCc2nc3ccccc3o2)[NH+]2CCCCC2)c1 ZINC000606933721 1032887405 /nfs/dbraw/zinc/88/74/05/1032887405.db2.gz CFCXYKUGXWGBAE-MRXNPFEDSA-N 1 2 325.412 3.738 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2cn3cc(Br)ccc3n2)o1 ZINC000130101818 1020299340 /nfs/dbraw/zinc/29/93/40/1020299340.db2.gz QRJHNMHKWLAMST-NSHDSACASA-N 1 2 334.217 3.849 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414387456 1020347938 /nfs/dbraw/zinc/34/79/38/1020347938.db2.gz JGJXUTMSLMRVIN-QGZVFWFLSA-N 1 2 337.510 3.981 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414387456 1020347950 /nfs/dbraw/zinc/34/79/50/1020347950.db2.gz JGJXUTMSLMRVIN-QGZVFWFLSA-N 1 2 337.510 3.981 20 0 EHADLO OC[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)c1ccccc1Cl ZINC000340848381 1020413029 /nfs/dbraw/zinc/41/30/29/1020413029.db2.gz JNNHLEVZLHZSCN-SNVBAGLBSA-N 1 2 330.737 3.942 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000345674129 1020423075 /nfs/dbraw/zinc/42/30/75/1020423075.db2.gz RUWXKYAYKXRQDJ-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000280508483 1020449237 /nfs/dbraw/zinc/44/92/37/1020449237.db2.gz LPUMEJUNLMVTRB-UHFFFAOYSA-N 1 2 345.874 3.978 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000021917685 1020468142 /nfs/dbraw/zinc/46/81/42/1020468142.db2.gz WIIFDGZIRZVTPH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000021917685 1020468150 /nfs/dbraw/zinc/46/81/50/1020468150.db2.gz WIIFDGZIRZVTPH-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141547 1020471086 /nfs/dbraw/zinc/47/10/86/1020471086.db2.gz YTDXXESBNNGQIK-RYUDHWBXSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141547 1020471092 /nfs/dbraw/zinc/47/10/92/1020471092.db2.gz YTDXXESBNNGQIK-RYUDHWBXSA-N 1 2 339.361 3.827 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)c1 ZINC000280598493 1020504835 /nfs/dbraw/zinc/50/48/35/1020504835.db2.gz UXRFIASHVQCODN-MRXNPFEDSA-N 1 2 343.471 3.632 20 0 EHADLO O=C(COc1ccsc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000340881401 1020530644 /nfs/dbraw/zinc/53/06/44/1020530644.db2.gz ITGCXPNPPLMUBB-UHFFFAOYSA-N 1 2 333.800 3.605 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(C(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000933106029 1020539413 /nfs/dbraw/zinc/53/94/13/1020539413.db2.gz MGVZXCMVJFULBT-DOMZBBRYSA-N 1 2 334.370 3.936 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000292324760 1020540126 /nfs/dbraw/zinc/54/01/26/1020540126.db2.gz MORAVLYIBALYTF-QGZVFWFLSA-N 1 2 346.862 3.900 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000345888053 1020575852 /nfs/dbraw/zinc/57/58/52/1020575852.db2.gz WCPXJSSMACHRFQ-LPHOPBHVSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C(C)(C)C)cc3O)[nH+]c12 ZINC000581262991 1020603584 /nfs/dbraw/zinc/60/35/84/1020603584.db2.gz KEHXZXPJONJLDA-UHFFFAOYSA-N 1 2 337.423 3.827 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000280728012 1020615447 /nfs/dbraw/zinc/61/54/47/1020615447.db2.gz CTCUVRKRCALJLN-GOSISDBHSA-N 1 2 326.444 3.589 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(NC(C)=O)c1 ZINC000280728012 1020615451 /nfs/dbraw/zinc/61/54/51/1020615451.db2.gz CTCUVRKRCALJLN-GOSISDBHSA-N 1 2 326.444 3.589 20 0 EHADLO CCCc1sc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1CC ZINC000510376958 1020629159 /nfs/dbraw/zinc/62/91/59/1020629159.db2.gz MGGKJHPIQLUTSX-OAHLLOKOSA-N 1 2 343.496 3.667 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933139264 1020674915 /nfs/dbraw/zinc/67/49/15/1020674915.db2.gz ZAIKWZHELOZYCF-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933139264 1020674920 /nfs/dbraw/zinc/67/49/20/1020674920.db2.gz ZAIKWZHELOZYCF-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC1(C)CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]2CCC[C@H]21 ZINC000581352719 1020730846 /nfs/dbraw/zinc/73/08/46/1020730846.db2.gz JIKMIAGWIBZXSQ-QZTJIDSGSA-N 1 2 338.455 3.592 20 0 EHADLO CC(C)CC1CC[NH+](Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000760399020 1032929720 /nfs/dbraw/zinc/92/97/20/1032929720.db2.gz SKURSLWIDOBZMI-UHFFFAOYSA-N 1 2 331.485 3.687 20 0 EHADLO CCc1csc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000548162628 1020789366 /nfs/dbraw/zinc/78/93/66/1020789366.db2.gz UJZGMSQYHLJUCW-UHFFFAOYSA-N 1 2 338.480 3.707 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1nccs1 ZINC000093397994 1032932861 /nfs/dbraw/zinc/93/28/61/1032932861.db2.gz VHXAZYGXNIVKLG-CQSZACIVSA-N 1 2 325.437 3.968 20 0 EHADLO CSc1ccccc1CN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684230180 1020827206 /nfs/dbraw/zinc/82/72/06/1020827206.db2.gz MXSBBSKVXBBSGX-UHFFFAOYSA-N 1 2 326.425 3.720 20 0 EHADLO CCCCS[C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000341041395 1020897892 /nfs/dbraw/zinc/89/78/92/1020897892.db2.gz MUMSUSJVMVZNQS-ZDUSSCGKSA-N 1 2 341.546 3.989 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(C(F)F)nc1 ZINC000657869448 1032939716 /nfs/dbraw/zinc/93/97/16/1032939716.db2.gz WTSBITITXYXLNN-VIFPVBQESA-N 1 2 334.292 3.629 20 0 EHADLO Cc1cc2c(s1)N(c1cn3ccnc3cn1)c1ccccc1NC2=[NH2+] ZINC001167463230 1020918743 /nfs/dbraw/zinc/91/87/43/1020918743.db2.gz GYDBCHAOPLQOMU-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc2cccnc21 ZINC000341184094 1021054540 /nfs/dbraw/zinc/05/45/40/1021054540.db2.gz JMNSISNCAGPQGQ-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000581574721 1021105022 /nfs/dbraw/zinc/10/50/22/1021105022.db2.gz KKNNTZNWNNITDN-RKCSUWQLSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCOC[C@]12CCOC2 ZINC000581574721 1021105026 /nfs/dbraw/zinc/10/50/26/1021105026.db2.gz KKNNTZNWNNITDN-RKCSUWQLSA-N 1 2 341.373 3.600 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CCCN2c2ccccc21 ZINC000518406683 1021164498 /nfs/dbraw/zinc/16/44/98/1021164498.db2.gz UOVSTOIXFVBYHA-GOSISDBHSA-N 1 2 344.418 3.502 20 0 EHADLO COCc1csc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000656685010 1021165943 /nfs/dbraw/zinc/16/59/43/1021165943.db2.gz IFXIHEXBWDHHGC-CYBMUJFWSA-N 1 2 343.452 3.719 20 0 EHADLO CCOc1c(C[NH+]2CC(CC(F)(F)F)C2)c(C)nn1CC(C)C ZINC000656686639 1021168012 /nfs/dbraw/zinc/16/80/12/1021168012.db2.gz STKJMLODVDXAMA-UHFFFAOYSA-N 1 2 333.398 3.630 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516242321 1021210278 /nfs/dbraw/zinc/21/02/78/1021210278.db2.gz DHDSFFGEUMHJKV-SJORKVTESA-N 1 2 344.503 3.697 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCc2ccc(F)cc21 ZINC001167475225 1021210360 /nfs/dbraw/zinc/21/03/60/1021210360.db2.gz XMJBOXNFYIEJHC-FQEVSTJZSA-N 1 2 336.414 3.916 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCc2ccc(F)cc21 ZINC001167475225 1021210368 /nfs/dbraw/zinc/21/03/68/1021210368.db2.gz XMJBOXNFYIEJHC-FQEVSTJZSA-N 1 2 336.414 3.916 20 0 EHADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000518471401 1021214045 /nfs/dbraw/zinc/21/40/45/1021214045.db2.gz RXZJTAANMQYDBO-MSOLQXFVSA-N 1 2 337.467 3.558 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000505880715 1021214227 /nfs/dbraw/zinc/21/42/27/1021214227.db2.gz XRWDZQSVKPBXHP-YDZSZYSISA-N 1 2 327.453 3.568 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000505880715 1021214236 /nfs/dbraw/zinc/21/42/36/1021214236.db2.gz XRWDZQSVKPBXHP-YDZSZYSISA-N 1 2 327.453 3.568 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000505880975 1021221584 /nfs/dbraw/zinc/22/15/84/1021221584.db2.gz BNJMSUNQYOTBEN-UHFFFAOYSA-N 1 2 332.879 3.614 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000341260074 1021221877 /nfs/dbraw/zinc/22/18/77/1021221877.db2.gz MKZYAXUVDSVSCN-RBUKOAKNSA-N 1 2 331.419 3.567 20 0 EHADLO CCOc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC)c2ccccc2Cl)cc1 ZINC000426310323 1021233009 /nfs/dbraw/zinc/23/30/09/1021233009.db2.gz NIMIURWUVJTEBS-SCLBCKFNSA-N 1 2 346.858 3.552 20 0 EHADLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1O ZINC000436808991 1021252363 /nfs/dbraw/zinc/25/23/63/1021252363.db2.gz QWAHFRIEVVPKFZ-OAHLLOKOSA-N 1 2 348.830 3.596 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000516297955 1021267950 /nfs/dbraw/zinc/26/79/50/1021267950.db2.gz UTXHZOJYQXLDOC-BEFAXECRSA-N 1 2 329.419 3.597 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439286971 1021303807 /nfs/dbraw/zinc/30/38/07/1021303807.db2.gz OXEMVTKPIJKTPJ-UHOFOFEASA-N 1 2 342.277 3.636 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439286971 1021303827 /nfs/dbraw/zinc/30/38/27/1021303827.db2.gz OXEMVTKPIJKTPJ-UHOFOFEASA-N 1 2 342.277 3.636 20 0 EHADLO Fc1c(CNc2ccc(N3CCCC3)[nH+]c2)cccc1OC1CC1 ZINC000656768273 1021304861 /nfs/dbraw/zinc/30/48/61/1021304861.db2.gz IFEYXMCDLHRMTE-UHFFFAOYSA-N 1 2 327.403 3.974 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000593539159 1032969088 /nfs/dbraw/zinc/96/90/88/1032969088.db2.gz GFOUMOSQOIRVFA-FUHWJXTLSA-N 1 2 326.444 3.608 20 0 EHADLO Cn1c2cc(Cl)c(Cl)cc2[nH+]c1NCc1cc2n(n1)CCC2 ZINC000656776063 1021325194 /nfs/dbraw/zinc/32/51/94/1021325194.db2.gz DFJCSESANHSMHT-UHFFFAOYSA-N 1 2 336.226 3.635 20 0 EHADLO CCN(C(C)=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cn1 ZINC000656778402 1021327264 /nfs/dbraw/zinc/32/72/64/1021327264.db2.gz XLBIWDMOQADCBK-UHFFFAOYSA-N 1 2 349.438 3.561 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1SCC(F)(F)F ZINC000684373844 1021408388 /nfs/dbraw/zinc/40/83/88/1021408388.db2.gz CUCBOOXBXGWHJT-UHFFFAOYSA-N 1 2 329.347 3.635 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1SCC(F)(F)F ZINC000684373844 1021408393 /nfs/dbraw/zinc/40/83/93/1021408393.db2.gz CUCBOOXBXGWHJT-UHFFFAOYSA-N 1 2 329.347 3.635 20 0 EHADLO CCC[N@@H+](Cc1ncc(Br)s1)C[C@H]1CCCCO1 ZINC000341322266 1021424758 /nfs/dbraw/zinc/42/47/58/1021424758.db2.gz YLNUETVRLNURGH-LLVKDONJSA-N 1 2 333.295 3.687 20 0 EHADLO CCC[N@H+](Cc1ncc(Br)s1)C[C@H]1CCCCO1 ZINC000341322266 1021424760 /nfs/dbraw/zinc/42/47/60/1021424760.db2.gz YLNUETVRLNURGH-LLVKDONJSA-N 1 2 333.295 3.687 20 0 EHADLO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000505912274 1021431937 /nfs/dbraw/zinc/43/19/37/1021431937.db2.gz KQEIBOHFCSGKNU-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000426384623 1021432430 /nfs/dbraw/zinc/43/24/30/1021432430.db2.gz YWDSFWLHBDJAPS-UHFFFAOYSA-N 1 2 341.430 3.580 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426384623 1021432438 /nfs/dbraw/zinc/43/24/38/1021432438.db2.gz YWDSFWLHBDJAPS-UHFFFAOYSA-N 1 2 341.430 3.580 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000507700396 1021451473 /nfs/dbraw/zinc/45/14/73/1021451473.db2.gz HEBHIJGYCMFRIT-JFIYKMOQSA-N 1 2 335.451 3.694 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCCOCc1ccccc1 ZINC000439471637 1021463947 /nfs/dbraw/zinc/46/39/47/1021463947.db2.gz GNBZQIOALKYZPB-IBGZPJMESA-N 1 2 345.414 3.579 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439471637 1021463954 /nfs/dbraw/zinc/46/39/54/1021463954.db2.gz GNBZQIOALKYZPB-IBGZPJMESA-N 1 2 345.414 3.579 20 0 EHADLO CC(C)=CC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000439482515 1021490617 /nfs/dbraw/zinc/49/06/17/1021490617.db2.gz WCXPXJPWUULVCN-UHFFFAOYSA-N 1 2 348.796 3.787 20 0 EHADLO CC(C)=CC[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000439482515 1021490623 /nfs/dbraw/zinc/49/06/23/1021490623.db2.gz WCXPXJPWUULVCN-UHFFFAOYSA-N 1 2 348.796 3.787 20 0 EHADLO OCCNc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000656855889 1021491074 /nfs/dbraw/zinc/49/10/74/1021491074.db2.gz VTEHJLACTYMCTI-UHFFFAOYSA-N 1 2 336.222 3.796 20 0 EHADLO Cc1cccc([C@@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1C ZINC000437084755 1021555497 /nfs/dbraw/zinc/55/54/97/1021555497.db2.gz MUVSEAVNJNLWLX-MRXNPFEDSA-N 1 2 338.430 3.933 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(C)cccc3C2)c(F)c1 ZINC000729480018 1021569931 /nfs/dbraw/zinc/56/99/31/1021569931.db2.gz UCRHRABHQYGXHZ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(C)cccc3C2)c(F)c1 ZINC000729480018 1021569946 /nfs/dbraw/zinc/56/99/46/1021569946.db2.gz UCRHRABHQYGXHZ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO FC(F)(F)c1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)[nH]n1 ZINC000440613261 1021653648 /nfs/dbraw/zinc/65/36/48/1021653648.db2.gz NYKSGMNNEYNIMP-UHFFFAOYSA-N 1 2 341.724 3.880 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccnn2C2CCCC2)CCO1 ZINC000519744470 1021654439 /nfs/dbraw/zinc/65/44/39/1021654439.db2.gz ZQYSIWBEPSHXRZ-FQEVSTJZSA-N 1 2 325.456 3.746 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccnn2C2CCCC2)CCO1 ZINC000519744470 1021654447 /nfs/dbraw/zinc/65/44/47/1021654447.db2.gz ZQYSIWBEPSHXRZ-FQEVSTJZSA-N 1 2 325.456 3.746 20 0 EHADLO CC(C)CC(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000439702645 1021661521 /nfs/dbraw/zinc/66/15/21/1021661521.db2.gz ABSPMLWOYZSFFW-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](C)CC(C)C)CC2)c1 ZINC000506668891 1021681718 /nfs/dbraw/zinc/68/17/18/1021681718.db2.gz JQCWMFWQNYXAKE-IAGOWNOFSA-N 1 2 347.503 3.518 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3ccccc3C(C)(C)C)ccc2[nH+]1 ZINC000437328658 1021737753 /nfs/dbraw/zinc/73/77/53/1021737753.db2.gz XYBXEELVDWFFSP-UHFFFAOYSA-N 1 2 343.452 3.741 20 0 EHADLO FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@H]2CCC2CCCCC2)n1 ZINC000440772408 1021762908 /nfs/dbraw/zinc/76/29/08/1021762908.db2.gz BCYFTUFUPUSOTO-AWEZNQCLSA-N 1 2 345.413 3.560 20 0 EHADLO FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@H]2CCC2CCCCC2)n1 ZINC000440772408 1021762923 /nfs/dbraw/zinc/76/29/23/1021762923.db2.gz BCYFTUFUPUSOTO-AWEZNQCLSA-N 1 2 345.413 3.560 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276555245 1021771727 /nfs/dbraw/zinc/77/17/27/1021771727.db2.gz FWMDZNUQAPLAIW-ZBFHGGJFSA-N 1 2 343.496 3.833 20 0 EHADLO COc1ccc2occ(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000440764427 1021772139 /nfs/dbraw/zinc/77/21/39/1021772139.db2.gz UUKRODFMOUPVFJ-UHFFFAOYSA-N 1 2 333.347 3.879 20 0 EHADLO CN(Cc1ccoc1)Cc1cncc(C[N@H+](C)Cc2ccoc2)c1 ZINC000516848064 1021789292 /nfs/dbraw/zinc/78/92/92/1021789292.db2.gz RXZAQSJCKFMDTC-UHFFFAOYSA-N 1 2 325.412 3.532 20 0 EHADLO CN(Cc1ccoc1)Cc1cncc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000516848064 1021789308 /nfs/dbraw/zinc/78/93/08/1021789308.db2.gz RXZAQSJCKFMDTC-UHFFFAOYSA-N 1 2 325.412 3.532 20 0 EHADLO CC(C)CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCCc2cccnc21 ZINC000516876532 1021808009 /nfs/dbraw/zinc/80/80/09/1021808009.db2.gz ACKYPSOQGSYSHR-CRAIPNDOSA-N 1 2 340.471 3.546 20 0 EHADLO CC(C)CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCCc2cccnc21 ZINC000516876532 1021808021 /nfs/dbraw/zinc/80/80/21/1021808021.db2.gz ACKYPSOQGSYSHR-CRAIPNDOSA-N 1 2 340.471 3.546 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2cnc3n2CCOC3)CC2CC2)c(Cl)c1 ZINC000894390872 1021814227 /nfs/dbraw/zinc/81/42/27/1021814227.db2.gz MCICNLBETZMKIC-UHFFFAOYSA-N 1 2 349.837 3.618 20 0 EHADLO Fc1ccc(C[N@H+](Cc2cnc3n2CCOC3)CC2CC2)c(Cl)c1 ZINC000894390872 1021814242 /nfs/dbraw/zinc/81/42/42/1021814242.db2.gz MCICNLBETZMKIC-UHFFFAOYSA-N 1 2 349.837 3.618 20 0 EHADLO CCn1ccnc1C[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593685935 1033008158 /nfs/dbraw/zinc/00/81/58/1033008158.db2.gz BWPHGVJXGDDMGD-SJORKVTESA-N 1 2 341.455 3.563 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2nccs2)c(C)c1 ZINC000440861156 1021821405 /nfs/dbraw/zinc/82/14/05/1021821405.db2.gz QROFQJSBFYUNKL-OAHLLOKOSA-N 1 2 341.440 3.519 20 0 EHADLO CO[C@@H](c1nc(Cc2cn3cccc(C)c3[nH+]2)no1)C1CCCCC1 ZINC000664777688 1021852981 /nfs/dbraw/zinc/85/29/81/1021852981.db2.gz QGLCEGPMHVEQBK-QGZVFWFLSA-N 1 2 340.427 3.884 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504749 1021896369 /nfs/dbraw/zinc/89/63/69/1021896369.db2.gz VVGWCQWESSBEKM-LIRRHRJNSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504749 1021896385 /nfs/dbraw/zinc/89/63/85/1021896385.db2.gz VVGWCQWESSBEKM-LIRRHRJNSA-N 1 2 349.475 3.506 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000441019305 1021932341 /nfs/dbraw/zinc/93/23/41/1021932341.db2.gz WMNVOVNHZBWPLB-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000441019305 1021932351 /nfs/dbraw/zinc/93/23/51/1021932351.db2.gz WMNVOVNHZBWPLB-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000519206117 1021932782 /nfs/dbraw/zinc/93/27/82/1021932782.db2.gz MKHRDGUNLBCVHL-OKZBNKHCSA-N 1 2 344.503 3.932 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000139805166 1033017412 /nfs/dbraw/zinc/01/74/12/1033017412.db2.gz KUJOIASKZDFBLS-UHFFFAOYSA-N 1 2 349.482 3.702 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000139805166 1033017427 /nfs/dbraw/zinc/01/74/27/1033017427.db2.gz KUJOIASKZDFBLS-UHFFFAOYSA-N 1 2 349.482 3.702 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCC3CC3)n2)C1 ZINC000437545239 1021947283 /nfs/dbraw/zinc/94/72/83/1021947283.db2.gz JXCSPDPWHJWWGM-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCC3CC3)n2)C1 ZINC000437545239 1021947288 /nfs/dbraw/zinc/94/72/88/1021947288.db2.gz JXCSPDPWHJWWGM-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)c2cccnc2)CC[C@@H]1c1ccccc1 ZINC000437581623 1021973226 /nfs/dbraw/zinc/97/32/26/1021973226.db2.gz LZDLXMZXOHLTGK-LSTHTHJFSA-N 1 2 338.451 3.811 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)c2cccnc2)CC[C@@H]1c1ccccc1 ZINC000437581623 1021973241 /nfs/dbraw/zinc/97/32/41/1021973241.db2.gz LZDLXMZXOHLTGK-LSTHTHJFSA-N 1 2 338.451 3.811 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000171346271 1033019508 /nfs/dbraw/zinc/01/95/08/1033019508.db2.gz GWOSVQTUYKWAQG-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000171346271 1033019522 /nfs/dbraw/zinc/01/95/22/1033019522.db2.gz GWOSVQTUYKWAQG-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO CC(C)(C)CCCCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270238354 1021978545 /nfs/dbraw/zinc/97/85/45/1021978545.db2.gz RXIRESTULHSVSC-UHFFFAOYSA-N 1 2 331.504 3.656 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441124822 1021999156 /nfs/dbraw/zinc/99/91/56/1021999156.db2.gz OECSONQDLXRQIA-GJZGRUSLSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@H](SC)C1 ZINC000441124822 1021999173 /nfs/dbraw/zinc/99/91/73/1021999173.db2.gz OECSONQDLXRQIA-GJZGRUSLSA-N 1 2 327.877 3.772 20 0 EHADLO Cc1c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc(F)c1F ZINC000517086931 1022005221 /nfs/dbraw/zinc/00/52/21/1022005221.db2.gz MEWKLXVIZWWNHQ-LLVKDONJSA-N 1 2 333.382 3.863 20 0 EHADLO Cc1c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc(F)c1F ZINC000517086931 1022005231 /nfs/dbraw/zinc/00/52/31/1022005231.db2.gz MEWKLXVIZWWNHQ-LLVKDONJSA-N 1 2 333.382 3.863 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1OC ZINC000341478030 1022008522 /nfs/dbraw/zinc/00/85/22/1022008522.db2.gz WBRHSTNFOFWPLJ-LBPRGKRZSA-N 1 2 343.383 3.588 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(SC4CC4)cc3)sc2C1 ZINC000341488461 1022026257 /nfs/dbraw/zinc/02/62/57/1022026257.db2.gz VFSGETXPBYMENY-UHFFFAOYSA-N 1 2 345.493 3.638 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(SC4CC4)cc3)sc2C1 ZINC000341488461 1022026277 /nfs/dbraw/zinc/02/62/77/1022026277.db2.gz VFSGETXPBYMENY-UHFFFAOYSA-N 1 2 345.493 3.638 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000520234714 1022047271 /nfs/dbraw/zinc/04/72/71/1022047271.db2.gz BLJYJFJREGXCLX-NSHDSACASA-N 1 2 341.333 3.890 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000519444172 1022096805 /nfs/dbraw/zinc/09/68/05/1022096805.db2.gz PGAMEDOWYIOZKL-UHFFFAOYSA-N 1 2 348.468 3.957 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000437778264 1022120398 /nfs/dbraw/zinc/12/03/98/1022120398.db2.gz ABTWTFVCEQGUOI-BBRMVZONSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000437778264 1022120407 /nfs/dbraw/zinc/12/04/07/1022120407.db2.gz ABTWTFVCEQGUOI-BBRMVZONSA-N 1 2 329.362 3.505 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnn(-c3ccccc3C)c2)cs1 ZINC000647190590 1022125311 /nfs/dbraw/zinc/12/53/11/1022125311.db2.gz FZALLEIPBLGUPK-AWEZNQCLSA-N 1 2 342.468 3.634 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000073645054 1022152770 /nfs/dbraw/zinc/15/27/70/1022152770.db2.gz BRIXXERBGJPCGK-UTKZUKDTSA-N 1 2 348.446 3.972 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000172936567 1033035292 /nfs/dbraw/zinc/03/52/92/1033035292.db2.gz XZDDEEADAFNIIP-PBHICJAKSA-N 1 2 342.512 3.912 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000172936567 1033035308 /nfs/dbraw/zinc/03/53/08/1033035308.db2.gz XZDDEEADAFNIIP-PBHICJAKSA-N 1 2 342.512 3.912 20 0 EHADLO CC[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1c(C)nn(C)c1C ZINC000638713999 1022202022 /nfs/dbraw/zinc/20/20/22/1022202022.db2.gz SHHCKGKYSCAEMS-RDJZCZTQSA-N 1 2 330.480 3.517 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143402975 1022234608 /nfs/dbraw/zinc/23/46/08/1022234608.db2.gz SBFQIYCYJIRUEK-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143402975 1022234619 /nfs/dbraw/zinc/23/46/19/1022234619.db2.gz SBFQIYCYJIRUEK-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)n1C ZINC000172916726 1033038823 /nfs/dbraw/zinc/03/88/23/1033038823.db2.gz GMZZVBGRAZUQOJ-MRXNPFEDSA-N 1 2 330.501 3.597 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)n1C ZINC000172916726 1033038836 /nfs/dbraw/zinc/03/88/36/1033038836.db2.gz GMZZVBGRAZUQOJ-MRXNPFEDSA-N 1 2 330.501 3.597 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000172936575 1033033876 /nfs/dbraw/zinc/03/38/76/1033033876.db2.gz XZDDEEADAFNIIP-YOEHRIQHSA-N 1 2 342.512 3.912 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000172936575 1033033890 /nfs/dbraw/zinc/03/38/90/1033033890.db2.gz XZDDEEADAFNIIP-YOEHRIQHSA-N 1 2 342.512 3.912 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)s1 ZINC000090418958 1022257033 /nfs/dbraw/zinc/25/70/33/1022257033.db2.gz GGFXRNZUYDIKDF-CQSZACIVSA-N 1 2 326.469 3.742 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000437976086 1022300022 /nfs/dbraw/zinc/30/00/22/1022300022.db2.gz LOMQSTYBMLKXKD-UHFFFAOYSA-N 1 2 335.473 3.692 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000437976086 1022300038 /nfs/dbraw/zinc/30/00/38/1022300038.db2.gz LOMQSTYBMLKXKD-UHFFFAOYSA-N 1 2 335.473 3.692 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000517409991 1022315833 /nfs/dbraw/zinc/31/58/33/1022315833.db2.gz GFABYPJHRNYUIN-PMACEKPBSA-N 1 2 333.435 3.736 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607222973 1033046917 /nfs/dbraw/zinc/04/69/17/1033046917.db2.gz BXHOBWOCSRSHBH-MRXNPFEDSA-N 1 2 340.427 3.541 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000438044845 1022346297 /nfs/dbraw/zinc/34/62/97/1022346297.db2.gz OABADRDXXMOOTM-ROUUACIJSA-N 1 2 341.480 3.681 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894486941 1022384435 /nfs/dbraw/zinc/38/44/35/1022384435.db2.gz ZZBMKDCFUGGIMR-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894486941 1022384448 /nfs/dbraw/zinc/38/44/48/1022384448.db2.gz ZZBMKDCFUGGIMR-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102894 1022389832 /nfs/dbraw/zinc/38/98/32/1022389832.db2.gz XGJJDIDKWJXHDC-OLZOCXBDSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102894 1022389857 /nfs/dbraw/zinc/38/98/57/1022389857.db2.gz XGJJDIDKWJXHDC-OLZOCXBDSA-N 1 2 325.733 3.757 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000438130037 1022407228 /nfs/dbraw/zinc/40/72/28/1022407228.db2.gz GONZSSBWEHHNMI-KRWDZBQOSA-N 1 2 334.423 3.739 20 0 EHADLO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179264 1022443682 /nfs/dbraw/zinc/44/36/82/1022443682.db2.gz XKZSTJQJIQTYQR-CVEARBPZSA-N 1 2 330.501 3.681 20 0 EHADLO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000438179264 1022443692 /nfs/dbraw/zinc/44/36/92/1022443692.db2.gz XKZSTJQJIQTYQR-CVEARBPZSA-N 1 2 330.501 3.681 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C[C@H]1n1cc[nH+]c1 ZINC000341594169 1022466999 /nfs/dbraw/zinc/46/69/99/1022466999.db2.gz XMJRVQINFITSMF-ZIAGYGMSSA-N 1 2 341.436 3.928 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccnc1 ZINC000647952848 1022508218 /nfs/dbraw/zinc/50/82/18/1022508218.db2.gz OGXODQOEVVVMSB-INIZCTEOSA-N 1 2 343.452 3.648 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1SC ZINC000101547245 1022513901 /nfs/dbraw/zinc/51/39/01/1022513901.db2.gz KXOWZPQUMBHVPV-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1SC ZINC000101547245 1022513913 /nfs/dbraw/zinc/51/39/13/1022513913.db2.gz KXOWZPQUMBHVPV-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cccc(Cl)c1 ZINC000129967808 1022517440 /nfs/dbraw/zinc/51/74/40/1022517440.db2.gz ZDKFXCGPLNLRKK-UHFFFAOYSA-N 1 2 344.263 3.687 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3C)c2)[nH]1 ZINC000647205966 1022519895 /nfs/dbraw/zinc/51/98/95/1022519895.db2.gz BZNLWNUSDNRULW-UKRRQHHQSA-N 1 2 338.459 3.663 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)no1 ZINC000894557027 1022530707 /nfs/dbraw/zinc/53/07/07/1022530707.db2.gz RTKPTYDDBPPPCF-IHRRRGAJSA-N 1 2 339.480 3.627 20 0 EHADLO CC(=O)Nc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1C ZINC000438314994 1022538892 /nfs/dbraw/zinc/53/88/92/1022538892.db2.gz RFRNQSXKPMCWJB-UHFFFAOYSA-N 1 2 334.423 3.810 20 0 EHADLO CC[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000550127378 1022542717 /nfs/dbraw/zinc/54/27/17/1022542717.db2.gz INGYXMUZUQNVOI-LPHOPBHVSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000550127378 1022542727 /nfs/dbraw/zinc/54/27/27/1022542727.db2.gz INGYXMUZUQNVOI-LPHOPBHVSA-N 1 2 326.440 3.668 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)s1 ZINC000292557644 1022566317 /nfs/dbraw/zinc/56/63/17/1022566317.db2.gz AVBVLJIXLMXSDF-RYUDHWBXSA-N 1 2 346.456 3.605 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000528899889 1033066061 /nfs/dbraw/zinc/06/60/61/1033066061.db2.gz BMFUYSAWOFQWCT-UHFFFAOYSA-N 1 2 348.406 3.966 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cs1 ZINC000292664538 1022600972 /nfs/dbraw/zinc/60/09/72/1022600972.db2.gz ISQOONQVNFMVDU-WMLDXEAASA-N 1 2 346.496 3.844 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)[NH+]1CCCCC1 ZINC000330668111 1022632122 /nfs/dbraw/zinc/63/21/22/1022632122.db2.gz BZFSIHCAPSKZOV-OAHLLOKOSA-N 1 2 328.815 3.634 20 0 EHADLO CCCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)CC1 ZINC000665003675 1022633714 /nfs/dbraw/zinc/63/37/14/1022633714.db2.gz INYFZVAXQSTLLY-RDJZCZTQSA-N 1 2 341.455 3.863 20 0 EHADLO CCCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)CC1 ZINC000665003675 1022633719 /nfs/dbraw/zinc/63/37/19/1022633719.db2.gz INYFZVAXQSTLLY-RDJZCZTQSA-N 1 2 341.455 3.863 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000151406627 1022642758 /nfs/dbraw/zinc/64/27/58/1022642758.db2.gz YGJQJNDTSCQXJU-PXNSSMCTSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835034 1022642776 /nfs/dbraw/zinc/64/27/76/1022642776.db2.gz CKDHPCIKOYTUFX-KYHPRHEASA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835034 1022642779 /nfs/dbraw/zinc/64/27/79/1022642779.db2.gz CKDHPCIKOYTUFX-KYHPRHEASA-N 1 2 329.488 3.643 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 ZINC000330834320 1022684180 /nfs/dbraw/zinc/68/41/80/1022684180.db2.gz HSJYZQHYYTZWNC-GXSJLCMTSA-N 1 2 330.354 3.770 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000438476893 1022712645 /nfs/dbraw/zinc/71/26/45/1022712645.db2.gz JIVOWMLIROZKJD-TZIWHRDSSA-N 1 2 338.451 3.641 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000438476893 1022712661 /nfs/dbraw/zinc/71/26/61/1022712661.db2.gz JIVOWMLIROZKJD-TZIWHRDSSA-N 1 2 338.451 3.641 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000164373050 1022718874 /nfs/dbraw/zinc/71/88/74/1022718874.db2.gz GQRDIMHBMCKWGA-OXQOHEQNSA-N 1 2 348.450 3.934 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000506253245 1022726044 /nfs/dbraw/zinc/72/60/44/1022726044.db2.gz HNMRXYNYKJUDPX-WOJBJXKFSA-N 1 2 346.515 3.637 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000506253245 1022726059 /nfs/dbraw/zinc/72/60/59/1022726059.db2.gz HNMRXYNYKJUDPX-WOJBJXKFSA-N 1 2 346.515 3.637 20 0 EHADLO Fc1cccc(-n2cccn2)c1C[NH2+]Cc1csc(C2CC2)n1 ZINC000449690163 1033076894 /nfs/dbraw/zinc/07/68/94/1033076894.db2.gz NVNGJAICXWBIAI-UHFFFAOYSA-N 1 2 328.416 3.635 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000517878915 1022798361 /nfs/dbraw/zinc/79/83/61/1022798361.db2.gz GBQCJXUHUIKEEP-INIZCTEOSA-N 1 2 329.469 3.547 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000517878915 1022798371 /nfs/dbraw/zinc/79/83/71/1022798371.db2.gz GBQCJXUHUIKEEP-INIZCTEOSA-N 1 2 329.469 3.547 20 0 EHADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000506281287 1022814163 /nfs/dbraw/zinc/81/41/63/1022814163.db2.gz MHICCDZLJICHAN-GOSISDBHSA-N 1 2 340.423 3.710 20 0 EHADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000506281287 1022814174 /nfs/dbraw/zinc/81/41/74/1022814174.db2.gz MHICCDZLJICHAN-GOSISDBHSA-N 1 2 340.423 3.710 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c(C)s1 ZINC000347349889 1033082837 /nfs/dbraw/zinc/08/28/37/1033082837.db2.gz WBSOIRPUNMWEAL-HUUCEWRRSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c(C)s1 ZINC000347349889 1033082849 /nfs/dbraw/zinc/08/28/49/1033082849.db2.gz WBSOIRPUNMWEAL-HUUCEWRRSA-N 1 2 334.510 3.761 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000293432956 1022819671 /nfs/dbraw/zinc/81/96/71/1022819671.db2.gz NZSUZFGOWDRZEA-UHFFFAOYSA-N 1 2 326.396 3.592 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000293432956 1022819693 /nfs/dbraw/zinc/81/96/93/1022819693.db2.gz NZSUZFGOWDRZEA-UHFFFAOYSA-N 1 2 326.396 3.592 20 0 EHADLO CS[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000593898367 1033085709 /nfs/dbraw/zinc/08/57/09/1033085709.db2.gz QZPHSIXOMDFXAD-BRWVUGGUSA-N 1 2 343.496 3.722 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517961226 1022886214 /nfs/dbraw/zinc/88/62/14/1022886214.db2.gz VCBZGSXGQRJSSM-LJHODMEESA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517961226 1022886232 /nfs/dbraw/zinc/88/62/32/1022886232.db2.gz VCBZGSXGQRJSSM-LJHODMEESA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@H]1CC3CCC1CC3)C2 ZINC000574407644 1033092388 /nfs/dbraw/zinc/09/23/88/1033092388.db2.gz DDQRQUZBKPUXDY-PYVGIJRLSA-N 1 2 343.515 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@H]1CC3CCC1CC3)CC2 ZINC000574407644 1033092401 /nfs/dbraw/zinc/09/24/01/1033092401.db2.gz DDQRQUZBKPUXDY-PYVGIJRLSA-N 1 2 343.515 3.969 20 0 EHADLO C=Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000341671621 1022943425 /nfs/dbraw/zinc/94/34/25/1022943425.db2.gz DGEIOXLDKLLBJA-OAHLLOKOSA-N 1 2 326.465 3.910 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1F ZINC000426154246 1023008381 /nfs/dbraw/zinc/00/83/81/1023008381.db2.gz QORUQCCYYVFOQR-UHFFFAOYSA-N 1 2 327.359 3.564 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1Cl ZINC000926254800 1023019883 /nfs/dbraw/zinc/01/98/83/1023019883.db2.gz YVFOHVCQQMUAKB-WFASDCNBSA-N 1 2 334.851 3.906 20 0 EHADLO CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000426163060 1023022456 /nfs/dbraw/zinc/02/24/56/1023022456.db2.gz UMNHDMISEIQWHP-OAHLLOKOSA-N 1 2 338.854 3.922 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)c1nccn1C ZINC000341689247 1023025696 /nfs/dbraw/zinc/02/56/96/1023025696.db2.gz HPOASTOMCHQYGS-GXTWGEPZSA-N 1 2 327.457 3.741 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000509551239 1023029092 /nfs/dbraw/zinc/02/90/92/1023029092.db2.gz FBMBQFLLIKVLDL-INIZCTEOSA-N 1 2 339.443 3.961 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(CC)CC)[C@@H](C)C1 ZINC000441468113 1023033442 /nfs/dbraw/zinc/03/34/42/1023033442.db2.gz GDSAUPIJSQQNHI-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(CC)CC)[C@@H](C)C1 ZINC000441468113 1023033453 /nfs/dbraw/zinc/03/34/53/1023033453.db2.gz GDSAUPIJSQQNHI-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3c(F)ccc(O)c3F)CC2)c1 ZINC000294496082 1023050246 /nfs/dbraw/zinc/05/02/46/1023050246.db2.gz BHHJPEKLQVTYAI-UHFFFAOYSA-N 1 2 347.405 3.548 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128811889 1023053382 /nfs/dbraw/zinc/05/33/82/1023053382.db2.gz KOIJQCDQOLEFBE-PMPSAXMXSA-N 1 2 326.444 3.621 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2OC)C2CC2)c(F)c1 ZINC000548422207 1023064024 /nfs/dbraw/zinc/06/40/24/1023064024.db2.gz CNZJSBOAQINBCG-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2OC)C2CC2)c(F)c1 ZINC000548422207 1023064032 /nfs/dbraw/zinc/06/40/32/1023064032.db2.gz CNZJSBOAQINBCG-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000761042730 1033103230 /nfs/dbraw/zinc/10/32/30/1033103230.db2.gz QOXZSGQLCRLGTM-KGLIPLIRSA-N 1 2 328.378 3.823 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000761042730 1033103237 /nfs/dbraw/zinc/10/32/37/1033103237.db2.gz QOXZSGQLCRLGTM-KGLIPLIRSA-N 1 2 328.378 3.823 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3c(Cl)cnn3C)CC2)c1 ZINC000189788052 1023101863 /nfs/dbraw/zinc/10/18/63/1023101863.db2.gz LNWCEFBXSRGNQL-UHFFFAOYSA-N 1 2 333.863 3.734 20 0 EHADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000548425680 1023107862 /nfs/dbraw/zinc/10/78/62/1023107862.db2.gz DKKUVSCXCXJURC-YUMQZZPRSA-N 1 2 328.235 3.543 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878628 1033107666 /nfs/dbraw/zinc/10/76/66/1033107666.db2.gz KNPBGZJJIZGQCD-HKUYNNGSSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878628 1033107669 /nfs/dbraw/zinc/10/76/69/1033107669.db2.gz KNPBGZJJIZGQCD-HKUYNNGSSA-N 1 2 331.843 3.665 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894119 1023143562 /nfs/dbraw/zinc/14/35/62/1023143562.db2.gz SZDGINLOELJABJ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894119 1023143568 /nfs/dbraw/zinc/14/35/68/1023143568.db2.gz SZDGINLOELJABJ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507190099 1023182099 /nfs/dbraw/zinc/18/20/99/1023182099.db2.gz KWYNJSKWJFEHCU-NSHDSACASA-N 1 2 332.350 3.603 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507190099 1023182104 /nfs/dbraw/zinc/18/21/04/1023182104.db2.gz KWYNJSKWJFEHCU-NSHDSACASA-N 1 2 332.350 3.603 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000426245621 1023186277 /nfs/dbraw/zinc/18/62/77/1023186277.db2.gz NVZRZAYSZGMNFX-UHFFFAOYSA-N 1 2 341.732 3.533 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000190466296 1023203641 /nfs/dbraw/zinc/20/36/41/1023203641.db2.gz NXBLIBSGDCGUKI-HOTGVXAUSA-N 1 2 334.508 3.692 20 0 EHADLO FC(F)(F)c1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC000341740828 1023227043 /nfs/dbraw/zinc/22/70/43/1023227043.db2.gz BQKMZCRLWKTJJZ-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO O=C(NCc1cccnc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439050246 1023241513 /nfs/dbraw/zinc/24/15/13/1023241513.db2.gz XKXWSKJRFJLJLO-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccccc2F)c1C ZINC000058958423 1033119075 /nfs/dbraw/zinc/11/90/75/1033119075.db2.gz WIDYBXQQIYALNI-MDZDMXLPSA-N 1 2 328.387 3.518 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000469430363 1023280984 /nfs/dbraw/zinc/28/09/84/1023280984.db2.gz PWWAJADFLXUQHW-HUUCEWRRSA-N 1 2 335.517 3.715 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000684557163 1023306086 /nfs/dbraw/zinc/30/60/86/1023306086.db2.gz SSUAEFHDPVMIFE-SFHVURJKSA-N 1 2 335.407 3.989 20 0 EHADLO CCCC[N@H+](Cc1cnc2n1CCOC2)Cc1ccccc1Cl ZINC000891905271 1023372371 /nfs/dbraw/zinc/37/23/71/1023372371.db2.gz PCXNDSWSXVEWFD-UHFFFAOYSA-N 1 2 333.863 3.869 20 0 EHADLO CCCC[N@@H+](Cc1cnc2n1CCOC2)Cc1ccccc1Cl ZINC000891905271 1023372376 /nfs/dbraw/zinc/37/23/76/1023372376.db2.gz PCXNDSWSXVEWFD-UHFFFAOYSA-N 1 2 333.863 3.869 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000471949630 1023403499 /nfs/dbraw/zinc/40/34/99/1023403499.db2.gz XFEMRPZUDUYONS-CZUORRHYSA-N 1 2 325.437 3.821 20 0 EHADLO CCc1ccc(C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000341831895 1023417876 /nfs/dbraw/zinc/41/78/76/1023417876.db2.gz KKQAYVWMWWLVNF-UHFFFAOYSA-N 1 2 343.492 3.817 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000341831895 1023417877 /nfs/dbraw/zinc/41/78/77/1023417877.db2.gz KKQAYVWMWWLVNF-UHFFFAOYSA-N 1 2 343.492 3.817 20 0 EHADLO C[NH+](C)c1ccc(NCc2cc3c(cc2Br)OCO3)cc1 ZINC000058946929 1033132770 /nfs/dbraw/zinc/13/27/70/1033132770.db2.gz NBWQRECAMOKUPR-UHFFFAOYSA-N 1 2 349.228 3.856 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C3CC3)cn2)c1C ZINC000933974106 1023554943 /nfs/dbraw/zinc/55/49/43/1023554943.db2.gz MPQIDMSUSBOVGO-UHFFFAOYSA-N 1 2 340.427 3.643 20 0 EHADLO O=C(CCCOc1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000341907424 1023678483 /nfs/dbraw/zinc/67/84/83/1023678483.db2.gz WZYHXEIOWUXTHA-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCc1noc2ccccc12)C1CC1 ZINC000594013474 1033160508 /nfs/dbraw/zinc/16/05/08/1033160508.db2.gz XISKFSZFIZSFLT-CYBMUJFWSA-N 1 2 330.428 3.565 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCc1noc2ccccc12)C1CC1 ZINC000594013474 1033160521 /nfs/dbraw/zinc/16/05/21/1033160521.db2.gz XISKFSZFIZSFLT-CYBMUJFWSA-N 1 2 330.428 3.565 20 0 EHADLO CCOc1ccccc1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342067990 1023816636 /nfs/dbraw/zinc/81/66/36/1023816636.db2.gz KVLZAZXFSZDUOM-GOSISDBHSA-N 1 2 349.434 3.647 20 0 EHADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000602793283 1033168297 /nfs/dbraw/zinc/16/82/97/1033168297.db2.gz OQEQLZRWMZKEJO-SFHVURJKSA-N 1 2 325.460 3.557 20 0 EHADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000602793283 1033168310 /nfs/dbraw/zinc/16/83/10/1033168310.db2.gz OQEQLZRWMZKEJO-SFHVURJKSA-N 1 2 325.460 3.557 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000096955079 1023897055 /nfs/dbraw/zinc/89/70/55/1023897055.db2.gz PAYAPFQTYBGVCM-GDBMZVCRSA-N 1 2 343.496 3.692 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000096955079 1023897059 /nfs/dbraw/zinc/89/70/59/1023897059.db2.gz PAYAPFQTYBGVCM-GDBMZVCRSA-N 1 2 343.496 3.692 20 0 EHADLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602795745 1033170961 /nfs/dbraw/zinc/17/09/61/1033170961.db2.gz CHZRCRFSSMJEPR-KRWDZBQOSA-N 1 2 348.830 3.567 20 0 EHADLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602795745 1033170970 /nfs/dbraw/zinc/17/09/70/1033170970.db2.gz CHZRCRFSSMJEPR-KRWDZBQOSA-N 1 2 348.830 3.567 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513988862 1024031418 /nfs/dbraw/zinc/03/14/18/1024031418.db2.gz DTPZNZHQDFBOJD-KSSFIOAISA-N 1 2 328.843 3.617 20 0 EHADLO CCc1cccc(C)c1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469027 1033175623 /nfs/dbraw/zinc/17/56/23/1033175623.db2.gz KEDWDDZLDWHOJA-MRXNPFEDSA-N 1 2 328.460 3.990 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2C(C)C)ccc1OC(C)C ZINC000434471993 1024059350 /nfs/dbraw/zinc/05/93/50/1024059350.db2.gz WWKJWARRNYNLKB-AWEZNQCLSA-N 1 2 332.448 3.506 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1cc(C)cc(C)c1 ZINC000475026060 1024062815 /nfs/dbraw/zinc/06/28/15/1024062815.db2.gz KYBFOTIDZNTLOY-UHFFFAOYSA-N 1 2 343.377 3.903 20 0 EHADLO CCCCC1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000514040641 1024066346 /nfs/dbraw/zinc/06/63/46/1024066346.db2.gz CCNXWZQIXGLABN-UHFFFAOYSA-N 1 2 346.519 3.810 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(-c4nccs4)c3)[nH+]c12 ZINC000522238841 1024084351 /nfs/dbraw/zinc/08/43/51/1024084351.db2.gz KQHWTGGPKQVIET-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CC(C)(C)OCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000065233920 1024099427 /nfs/dbraw/zinc/09/94/27/1024099427.db2.gz ULWXINCWTQSOFY-UHFFFAOYSA-N 1 2 342.439 3.718 20 0 EHADLO CC(C)(C)c1ccc(CCCCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000522258524 1024117638 /nfs/dbraw/zinc/11/76/38/1024117638.db2.gz KGCORYLIHVOFAG-UHFFFAOYSA-N 1 2 339.483 3.977 20 0 EHADLO Cc1ccc(O)c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000366809485 1024130595 /nfs/dbraw/zinc/13/05/95/1024130595.db2.gz WFASDKVWWDNSEL-UHFFFAOYSA-N 1 2 332.407 3.623 20 0 EHADLO COc1cc(-c2noc(C[N@H+](C)Cc3cccc(C)c3)n2)ccc1C ZINC000434593403 1024182233 /nfs/dbraw/zinc/18/22/33/1024182233.db2.gz CTVMIGZERIJNFN-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1cc(-c2noc(C[N@@H+](C)Cc3cccc(C)c3)n2)ccc1C ZINC000434593403 1024182237 /nfs/dbraw/zinc/18/22/37/1024182237.db2.gz CTVMIGZERIJNFN-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COC1(C[C@H](C)Nc2ccccc2OCCn2cc[nH+]c2)CCC1 ZINC000277195613 1024188599 /nfs/dbraw/zinc/18/85/99/1024188599.db2.gz VFBFOCVLQSNORJ-INIZCTEOSA-N 1 2 329.444 3.722 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507782267 1024192526 /nfs/dbraw/zinc/19/25/26/1024192526.db2.gz FACBFGCEGYAGRJ-AYOQOUSVSA-N 1 2 345.462 3.834 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2nc(C)c(C)s2)cc1OC ZINC000631081088 1024193339 /nfs/dbraw/zinc/19/33/39/1024193339.db2.gz HUTZMXBDHQRZBS-UHFFFAOYSA-N 1 2 326.849 3.720 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000151614666 1024240742 /nfs/dbraw/zinc/24/07/42/1024240742.db2.gz ITENQRPHGONHIM-AWEZNQCLSA-N 1 2 331.847 3.579 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)sc2C)C[C@H]2CCCO2)c1 ZINC000443627950 1024258540 /nfs/dbraw/zinc/25/85/40/1024258540.db2.gz KDIQEXFAICIVGD-GOSISDBHSA-N 1 2 346.496 3.950 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)sc2C)C[C@H]2CCCO2)c1 ZINC000443627950 1024258552 /nfs/dbraw/zinc/25/85/52/1024258552.db2.gz KDIQEXFAICIVGD-GOSISDBHSA-N 1 2 346.496 3.950 20 0 EHADLO C[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@]1(C)O ZINC001141769703 1024319987 /nfs/dbraw/zinc/31/99/87/1024319987.db2.gz YUIOACPKFIVHQF-BONVTDFDSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@]1(C)O ZINC001141769703 1024319996 /nfs/dbraw/zinc/31/99/96/1024319996.db2.gz YUIOACPKFIVHQF-BONVTDFDSA-N 1 2 348.231 3.710 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000505477761 1024323636 /nfs/dbraw/zinc/32/36/36/1024323636.db2.gz WUMGMYOVNZSBCG-SJLPKXTDSA-N 1 2 344.499 3.775 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425158652 1024347149 /nfs/dbraw/zinc/34/71/49/1024347149.db2.gz QXCGYMLMGYROBL-MSOLQXFVSA-N 1 2 325.456 3.969 20 0 EHADLO Fc1ccc2nc(N3CCC(Nc4cccc[nH+]4)CC3)sc2c1 ZINC000895347190 1024347516 /nfs/dbraw/zinc/34/75/16/1024347516.db2.gz QMHDAWDMRACMQR-UHFFFAOYSA-N 1 2 328.416 3.911 20 0 EHADLO c1cc(-c2nc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)cs2)co1 ZINC000342189483 1024361709 /nfs/dbraw/zinc/36/17/09/1024361709.db2.gz FQFZNVLPKRHDGV-UHFFFAOYSA-N 1 2 340.404 3.911 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@@]1=O ZINC000277268033 1024387819 /nfs/dbraw/zinc/38/78/19/1024387819.db2.gz RIKPDTDTXZVQLW-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@@]1=O ZINC000277268033 1024387834 /nfs/dbraw/zinc/38/78/34/1024387834.db2.gz RIKPDTDTXZVQLW-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425182043 1024416106 /nfs/dbraw/zinc/41/61/06/1024416106.db2.gz YVZOCLCIHRHJND-NVXWUHKLSA-N 1 2 345.512 3.922 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](n3ccnn3)CC2)nc(C(C)C)[nH+]1 ZINC000895104033 1024416385 /nfs/dbraw/zinc/41/63/85/1024416385.db2.gz FMQYZQNBPMIFTQ-HNNXBMFYSA-N 1 2 328.464 3.547 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443684416 1024418087 /nfs/dbraw/zinc/41/80/87/1024418087.db2.gz QVYKCLBZNPVBCF-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443684416 1024418096 /nfs/dbraw/zinc/41/80/96/1024418096.db2.gz QVYKCLBZNPVBCF-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000346132579 1024436358 /nfs/dbraw/zinc/43/63/58/1024436358.db2.gz CGFCHJYFZSJWSV-INIZCTEOSA-N 1 2 333.435 3.597 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000434845044 1024445955 /nfs/dbraw/zinc/44/59/55/1024445955.db2.gz XPCCYGMQWHXGNS-IBGZPJMESA-N 1 2 333.435 3.958 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000434845044 1024445962 /nfs/dbraw/zinc/44/59/62/1024445962.db2.gz XPCCYGMQWHXGNS-IBGZPJMESA-N 1 2 333.435 3.958 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC[C@H]1CC1CCC1 ZINC000664450527 1024450423 /nfs/dbraw/zinc/45/04/23/1024450423.db2.gz ORDPGQFCODYVFL-KRWDZBQOSA-N 1 2 326.444 3.589 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1 ZINC000505543682 1024455780 /nfs/dbraw/zinc/45/57/80/1024455780.db2.gz UTMDZGFXJQYHKU-OMUFJYGLSA-N 1 2 349.478 3.781 20 0 EHADLO Oc1cccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1Cl ZINC000897862441 1033212503 /nfs/dbraw/zinc/21/25/03/1033212503.db2.gz HUWDPKULFULLHS-UHFFFAOYSA-N 1 2 331.799 3.596 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc2cccnc12 ZINC000346190202 1024473763 /nfs/dbraw/zinc/47/37/63/1024473763.db2.gz AVGRIYXSRAINOT-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc2cccnc12 ZINC000346190202 1024473774 /nfs/dbraw/zinc/47/37/74/1024473774.db2.gz AVGRIYXSRAINOT-UHFFFAOYSA-N 1 2 345.406 3.620 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)s1 ZINC000895443499 1024502014 /nfs/dbraw/zinc/50/20/14/1024502014.db2.gz LOZOXZKCBGFBSH-LBPRGKRZSA-N 1 2 347.427 3.559 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)s1 ZINC000895443499 1024502029 /nfs/dbraw/zinc/50/20/29/1024502029.db2.gz LOZOXZKCBGFBSH-LBPRGKRZSA-N 1 2 347.427 3.559 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000342238176 1024512764 /nfs/dbraw/zinc/51/27/64/1024512764.db2.gz LHQOEWRTCZSYFM-UXHICEINSA-N 1 2 345.446 3.948 20 0 EHADLO O=C(NCCc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346201809 1024524430 /nfs/dbraw/zinc/52/44/30/1024524430.db2.gz GZJGVYFJWFFQRG-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000607618141 1033217479 /nfs/dbraw/zinc/21/74/79/1033217479.db2.gz XYVPXXMJNPTOHO-FLXFGSMXSA-N 1 2 326.484 3.670 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048808 1033218562 /nfs/dbraw/zinc/21/85/62/1033218562.db2.gz OLUJXQBSNNLUHT-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048808 1033218582 /nfs/dbraw/zinc/21/85/82/1033218582.db2.gz OLUJXQBSNNLUHT-WDEREUQCSA-N 1 2 334.769 3.860 20 0 EHADLO CCCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H](C)c1ccccc1 ZINC000459186164 1024556190 /nfs/dbraw/zinc/55/61/90/1024556190.db2.gz UGBVAQJIRPFPDM-INIZCTEOSA-N 1 2 328.460 3.536 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)N[C@@H](C)Cn2cc[nH+]c2)c1Cl ZINC000728443963 1024559407 /nfs/dbraw/zinc/55/94/07/1024559407.db2.gz MLCHFFOSTCZUAU-JTQLQIEISA-N 1 2 343.283 3.873 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)cn1 ZINC001143429176 1024569355 /nfs/dbraw/zinc/56/93/55/1024569355.db2.gz QUHOEUKFKDVADD-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)cn1 ZINC001143429176 1024569360 /nfs/dbraw/zinc/56/93/60/1024569360.db2.gz QUHOEUKFKDVADD-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cc(Cl)cc3cccnc32)n1 ZINC000342254444 1024577650 /nfs/dbraw/zinc/57/76/50/1024577650.db2.gz UFMWKTRLYYOQOG-UHFFFAOYSA-N 1 2 334.757 3.906 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccn2ccccc12 ZINC000895560641 1024612565 /nfs/dbraw/zinc/61/25/65/1024612565.db2.gz HARUUPLHWCXVGL-UHFFFAOYSA-N 1 2 340.452 3.634 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000514628948 1024619486 /nfs/dbraw/zinc/61/94/86/1024619486.db2.gz WYYBONDTVPFVFK-CFVMTHIKSA-N 1 2 338.377 3.852 20 0 EHADLO CC1(C)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000425280007 1024620730 /nfs/dbraw/zinc/62/07/30/1024620730.db2.gz GPGFIOQAPQKUMV-MRXNPFEDSA-N 1 2 343.496 3.676 20 0 EHADLO CCC1(CC)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000514637963 1024626606 /nfs/dbraw/zinc/62/66/06/1024626606.db2.gz XOTZCWUDUSQDKL-UHFFFAOYSA-N 1 2 339.483 3.903 20 0 EHADLO COc1c(N)[nH+]cnc1NC(CCC(F)(F)F)CCC(F)(F)F ZINC000664470191 1024632771 /nfs/dbraw/zinc/63/27/71/1024632771.db2.gz VRFLECHFOJKMIS-UHFFFAOYSA-N 1 2 346.275 3.533 20 0 EHADLO COc1c(N)nc[nH+]c1NC(CCC(F)(F)F)CCC(F)(F)F ZINC000664470191 1024632774 /nfs/dbraw/zinc/63/27/74/1024632774.db2.gz VRFLECHFOJKMIS-UHFFFAOYSA-N 1 2 346.275 3.533 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@@H]1C ZINC000614670068 1024637464 /nfs/dbraw/zinc/63/74/64/1024637464.db2.gz SKSKYHVWBPUOAM-IXDOHACOSA-N 1 2 349.544 3.680 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccccc2C(F)(F)F)c[nH+]1 ZINC000895603497 1024647291 /nfs/dbraw/zinc/64/72/91/1024647291.db2.gz BGOZZTCZDJJXHW-UHFFFAOYSA-N 1 2 339.361 3.604 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672667 1024650963 /nfs/dbraw/zinc/65/09/63/1024650963.db2.gz XAUDNSYUBXWCRO-HNNXBMFYSA-N 1 2 337.533 3.680 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC(COc3ccccc3)CC2)nc2ccccc21 ZINC000602874203 1033227187 /nfs/dbraw/zinc/22/71/87/1033227187.db2.gz XJXYLANMHILRIE-UHFFFAOYSA-N 1 2 349.434 3.626 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC(C)(C)C1 ZINC000474017400 1024662346 /nfs/dbraw/zinc/66/23/46/1024662346.db2.gz BUGQKUNTHPEHQW-QGZVFWFLSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](Cc1cscn1)C2 ZINC001137591408 1024669825 /nfs/dbraw/zinc/66/98/25/1024669825.db2.gz PVOKRMGNQRLEQP-QGZVFWFLSA-N 1 2 337.489 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](Cc1cscn1)C2 ZINC001137591408 1024669829 /nfs/dbraw/zinc/66/98/29/1024669829.db2.gz PVOKRMGNQRLEQP-QGZVFWFLSA-N 1 2 337.489 3.509 20 0 EHADLO c1cn(C2CC2)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000895642367 1024686170 /nfs/dbraw/zinc/68/61/70/1024686170.db2.gz UJTURTHWNUJXHR-GOSISDBHSA-N 1 2 338.455 3.534 20 0 EHADLO c1cn(C2CC2)c(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000895642367 1024686181 /nfs/dbraw/zinc/68/61/81/1024686181.db2.gz UJTURTHWNUJXHR-GOSISDBHSA-N 1 2 338.455 3.534 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCSc1ccc(C)c(C)c1 ZINC000346449484 1024742522 /nfs/dbraw/zinc/74/25/22/1024742522.db2.gz HMNOTFBPHPCSCS-GOSISDBHSA-N 1 2 345.512 3.809 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCSc1ccc(C)c(C)c1 ZINC000346449484 1024742533 /nfs/dbraw/zinc/74/25/33/1024742533.db2.gz HMNOTFBPHPCSCS-GOSISDBHSA-N 1 2 345.512 3.809 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCc2c(Br)cccc2C1 ZINC000425325316 1024752477 /nfs/dbraw/zinc/75/24/77/1024752477.db2.gz LRWXUZHPHBCSPK-UHFFFAOYSA-N 1 2 334.261 3.785 20 0 EHADLO COc1ccccc1-c1csc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000895714318 1024753724 /nfs/dbraw/zinc/75/37/24/1024753724.db2.gz AMWKYGBSCXIIBA-CQSZACIVSA-N 1 2 345.468 3.630 20 0 EHADLO COc1ccccc1-c1csc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000895714318 1024753732 /nfs/dbraw/zinc/75/37/32/1024753732.db2.gz AMWKYGBSCXIIBA-CQSZACIVSA-N 1 2 345.468 3.630 20 0 EHADLO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC(F)(F)c1ccccc1 ZINC000514821227 1024766304 /nfs/dbraw/zinc/76/63/04/1024766304.db2.gz UURCPRNSNMNBFP-INIZCTEOSA-N 1 2 346.421 3.506 20 0 EHADLO CC(C)n1cncc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000425336288 1024780942 /nfs/dbraw/zinc/78/09/42/1024780942.db2.gz KHGGCUXOCMLECD-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CC(C)n1cncc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000425336288 1024780950 /nfs/dbraw/zinc/78/09/50/1024780950.db2.gz KHGGCUXOCMLECD-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000934211014 1024797721 /nfs/dbraw/zinc/79/77/21/1024797721.db2.gz BQUCGLVGFPCMKE-QMTHXVAHSA-N 1 2 344.263 3.887 20 0 EHADLO O=C(CC(F)(F)F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435332605 1024799132 /nfs/dbraw/zinc/79/91/32/1024799132.db2.gz FSNHLTSLXHVGFK-UHFFFAOYSA-N 1 2 345.752 3.518 20 0 EHADLO CC(=O)OC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000840278928 1024813902 /nfs/dbraw/zinc/81/39/02/1024813902.db2.gz ZOMALVQHCGZCAA-UHFFFAOYSA-N 1 2 349.228 3.529 20 0 EHADLO COc1ccccc1N1CCC[N@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000897923032 1033239886 /nfs/dbraw/zinc/23/98/86/1033239886.db2.gz GPFURXMSRUSTPT-UHFFFAOYSA-N 1 2 349.837 3.595 20 0 EHADLO COc1ccccc1N1CCC[N@@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000897923032 1033239902 /nfs/dbraw/zinc/23/99/02/1033239902.db2.gz GPFURXMSRUSTPT-UHFFFAOYSA-N 1 2 349.837 3.595 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)CCC3CC3)cn2c1 ZINC000346536785 1024841377 /nfs/dbraw/zinc/84/13/77/1024841377.db2.gz RGHZVGCYZBJFLF-CQSZACIVSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c[nH+]1 ZINC000895798094 1024851334 /nfs/dbraw/zinc/85/13/34/1024851334.db2.gz AJJGCPHMWOAXDY-UHFFFAOYSA-N 1 2 332.423 3.549 20 0 EHADLO FC(F)CC1C[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000425365788 1024865704 /nfs/dbraw/zinc/86/57/04/1024865704.db2.gz MSWYDAQZJKGXRA-UHFFFAOYSA-N 1 2 338.379 3.626 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1nc3ccccc3s1)C2 ZINC000474388074 1024868649 /nfs/dbraw/zinc/86/86/49/1024868649.db2.gz DQKQFSGXRFPSHC-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1nc3ccccc3s1)CC2 ZINC000474388074 1024868659 /nfs/dbraw/zinc/86/86/59/1024868659.db2.gz DQKQFSGXRFPSHC-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1OCc1ccccc1 ZINC000508057636 1024876505 /nfs/dbraw/zinc/87/65/05/1024876505.db2.gz NGCPDEASQPJMCA-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1OCc1ccccc1 ZINC000508057636 1024876518 /nfs/dbraw/zinc/87/65/18/1024876518.db2.gz NGCPDEASQPJMCA-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000441820610 1024878828 /nfs/dbraw/zinc/87/88/28/1024878828.db2.gz ZJSLVVANHAGCOD-HOCLYGCPSA-N 1 2 340.870 3.727 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccco1 ZINC000607633325 1033243188 /nfs/dbraw/zinc/24/31/88/1033243188.db2.gz LWVGMRZVUFMJTN-CYBMUJFWSA-N 1 2 333.457 3.710 20 0 EHADLO Cn1cccc1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000283683648 1024899215 /nfs/dbraw/zinc/89/92/15/1024899215.db2.gz GFRXIIJOKMIEQI-UHFFFAOYSA-N 1 2 349.438 3.547 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000487408324 1024910632 /nfs/dbraw/zinc/91/06/32/1024910632.db2.gz BVJZFTPEPJFVSU-LJQANCHMSA-N 1 2 340.854 3.785 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000487408323 1024910949 /nfs/dbraw/zinc/91/09/49/1024910949.db2.gz BVJZFTPEPJFVSU-IBGZPJMESA-N 1 2 340.854 3.785 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000514942122 1024917247 /nfs/dbraw/zinc/91/72/47/1024917247.db2.gz RHPUXBNMFPLBDG-UXLLHSPISA-N 1 2 329.444 3.989 20 0 EHADLO CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474421079 1024932053 /nfs/dbraw/zinc/93/20/53/1024932053.db2.gz KIOUYQHDNANLNQ-NVXWUHKLSA-N 1 2 339.483 3.948 20 0 EHADLO CC[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474421079 1024932063 /nfs/dbraw/zinc/93/20/63/1024932063.db2.gz KIOUYQHDNANLNQ-NVXWUHKLSA-N 1 2 339.483 3.948 20 0 EHADLO CN(C)c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346623667 1024935288 /nfs/dbraw/zinc/93/52/88/1024935288.db2.gz ALPRRVFDIRMMJH-HXUWFJFHSA-N 1 2 336.414 3.561 20 0 EHADLO CC(NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)(C1CC1)C1CC1 ZINC001167514768 1024942974 /nfs/dbraw/zinc/94/29/74/1024942974.db2.gz VZVPNNMLKUMULB-KDYLLFBJSA-N 1 2 327.472 3.747 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000115610292 1024945539 /nfs/dbraw/zinc/94/55/39/1024945539.db2.gz QFCOCIJUDRIWPR-UHFFFAOYSA-N 1 2 336.370 3.727 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000346611240 1024952258 /nfs/dbraw/zinc/95/22/58/1024952258.db2.gz RHLYEZVFVXKGFV-LJQANCHMSA-N 1 2 339.826 3.832 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC12CCCC2 ZINC000474442673 1024964923 /nfs/dbraw/zinc/96/49/23/1024964923.db2.gz ZEVJJGMGMRSNDX-SFHVURJKSA-N 1 2 341.499 3.727 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000281370620 1024978514 /nfs/dbraw/zinc/97/85/14/1024978514.db2.gz NTHICXVBCAGXJO-ZDUSSCGKSA-N 1 2 330.453 3.738 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000515093587 1025013601 /nfs/dbraw/zinc/01/36/01/1025013601.db2.gz NDURIBCFLNFMOO-QUCCMNQESA-N 1 2 327.424 3.635 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000515093587 1025013611 /nfs/dbraw/zinc/01/36/11/1025013611.db2.gz NDURIBCFLNFMOO-QUCCMNQESA-N 1 2 327.424 3.635 20 0 EHADLO FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000435596275 1025025915 /nfs/dbraw/zinc/02/59/15/1025025915.db2.gz FHTUASDKIVMVBZ-KGLIPLIRSA-N 1 2 346.381 3.868 20 0 EHADLO FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000435596275 1025025923 /nfs/dbraw/zinc/02/59/23/1025025923.db2.gz FHTUASDKIVMVBZ-KGLIPLIRSA-N 1 2 346.381 3.868 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1F ZINC000342357978 1025049908 /nfs/dbraw/zinc/04/99/08/1025049908.db2.gz NXIFETVPVJZAQY-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1F ZINC000342357978 1025049918 /nfs/dbraw/zinc/04/99/18/1025049918.db2.gz NXIFETVPVJZAQY-LBPRGKRZSA-N 1 2 337.826 3.585 20 0 EHADLO CCc1nc(C)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000428213609 1025051056 /nfs/dbraw/zinc/05/10/56/1025051056.db2.gz UPGIHSXGDRHZDX-UHFFFAOYSA-N 1 2 330.272 3.862 20 0 EHADLO CCc1nc(C)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000428213609 1025051062 /nfs/dbraw/zinc/05/10/62/1025051062.db2.gz UPGIHSXGDRHZDX-UHFFFAOYSA-N 1 2 330.272 3.862 20 0 EHADLO c1cn2cccc(-c3noc([C@H]4CCC[C@H](c5ccccc5)[NH2+]4)n3)c2n1 ZINC001211885885 1025052728 /nfs/dbraw/zinc/05/27/28/1025052728.db2.gz VABNBPOBGBHYJT-IAGOWNOFSA-N 1 2 345.406 3.940 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000582036030 1025068776 /nfs/dbraw/zinc/06/87/76/1025068776.db2.gz KJNCONWLSAREIE-LJQANCHMSA-N 1 2 340.471 3.931 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)no1 ZINC000520830439 1025069904 /nfs/dbraw/zinc/06/99/04/1025069904.db2.gz IJAQANZYACTRQG-KZNAEPCWSA-N 1 2 343.471 3.853 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(Cc3cccc(Cl)c3)CC2)c[nH+]1 ZINC000897956427 1033258150 /nfs/dbraw/zinc/25/81/50/1033258150.db2.gz MGASXWULWQCGSA-UHFFFAOYSA-N 1 2 345.874 3.719 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@@H](OC(C)C)c2ccccc2)n1 ZINC000428236806 1025102888 /nfs/dbraw/zinc/10/28/88/1025102888.db2.gz HEZRLAWFBLWEPR-NVXWUHKLSA-N 1 2 347.459 3.765 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](OC(C)C)c2ccccc2)n1 ZINC000428236806 1025102891 /nfs/dbraw/zinc/10/28/91/1025102891.db2.gz HEZRLAWFBLWEPR-NVXWUHKLSA-N 1 2 347.459 3.765 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)Cc1ccccn1 ZINC000342379952 1025125965 /nfs/dbraw/zinc/12/59/65/1025125965.db2.gz UMGGUDJXWXQWHP-HXUWFJFHSA-N 1 2 339.483 3.807 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)Cc1ccccn1 ZINC000342379952 1025125971 /nfs/dbraw/zinc/12/59/71/1025125971.db2.gz UMGGUDJXWXQWHP-HXUWFJFHSA-N 1 2 339.483 3.807 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000152082940 1025153953 /nfs/dbraw/zinc/15/39/53/1025153953.db2.gz FDHFDYVRBRVMPZ-STQMWFEESA-N 1 2 347.821 3.596 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@]1=O ZINC000277456275 1025166229 /nfs/dbraw/zinc/16/62/29/1025166229.db2.gz KFOYDFGLEFUDNI-WHEQGISXSA-N 1 2 337.485 3.897 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc(C(F)(F)F)s2)o1 ZINC000443991257 1025166151 /nfs/dbraw/zinc/16/61/51/1025166151.db2.gz TVEXFZBYRIPBQR-LLVKDONJSA-N 1 2 334.363 3.795 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@]1=O ZINC000277456275 1025166235 /nfs/dbraw/zinc/16/62/35/1025166235.db2.gz KFOYDFGLEFUDNI-WHEQGISXSA-N 1 2 337.485 3.897 20 0 EHADLO C[C@@H](NCc1ccsc1Br)c1cn2c([nH+]1)CCCC2 ZINC000926366901 1025172675 /nfs/dbraw/zinc/17/26/75/1025172675.db2.gz HDMXZBHXLMTOOO-SNVBAGLBSA-N 1 2 340.290 3.894 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000346078196 1025191208 /nfs/dbraw/zinc/19/12/08/1025191208.db2.gz BKAHQJPGEKDGAV-UHFFFAOYSA-N 1 2 348.441 3.667 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000515393716 1025202882 /nfs/dbraw/zinc/20/28/82/1025202882.db2.gz DYZDAODBBVZKDN-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000515393716 1025202893 /nfs/dbraw/zinc/20/28/93/1025202893.db2.gz DYZDAODBBVZKDN-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277467546 1025209506 /nfs/dbraw/zinc/20/95/06/1025209506.db2.gz NBRLHRFLIXAANO-MRXNPFEDSA-N 1 2 330.453 3.545 20 0 EHADLO CC(C)(C)OC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511071411 1025217854 /nfs/dbraw/zinc/21/78/54/1025217854.db2.gz DUFYDZDMDQLVLN-KRWDZBQOSA-N 1 2 325.399 3.890 20 0 EHADLO CC(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000760081658 1025222867 /nfs/dbraw/zinc/22/28/67/1025222867.db2.gz LSKTVKJYFVHWPP-KRWDZBQOSA-N 1 2 342.443 3.631 20 0 EHADLO CCC[N@H+](Cc1ncnn1CCF)[C@H](C)c1cc2ccccc2o1 ZINC000281552593 1025224048 /nfs/dbraw/zinc/22/40/48/1025224048.db2.gz ZCAXCAPKSFGLRX-CQSZACIVSA-N 1 2 330.407 3.967 20 0 EHADLO CCC[N@@H+](Cc1ncnn1CCF)[C@H](C)c1cc2ccccc2o1 ZINC000281552593 1025224058 /nfs/dbraw/zinc/22/40/58/1025224058.db2.gz ZCAXCAPKSFGLRX-CQSZACIVSA-N 1 2 330.407 3.967 20 0 EHADLO Cc1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1Br ZINC000342409442 1025242380 /nfs/dbraw/zinc/24/23/80/1025242380.db2.gz DDLIQUYOUKWLBB-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO C[C@H](Cc1cccs1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342409803 1025243852 /nfs/dbraw/zinc/24/38/52/1025243852.db2.gz SEGAALNKOBSFNN-PBHICJAKSA-N 1 2 339.464 3.741 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccnc1Cl ZINC000896225228 1025257627 /nfs/dbraw/zinc/25/76/27/1025257627.db2.gz VZYJCZWCBRCZEN-LLVKDONJSA-N 1 2 326.696 3.741 20 0 EHADLO Fc1c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccnc1Cl ZINC000896225228 1025257631 /nfs/dbraw/zinc/25/76/31/1025257631.db2.gz VZYJCZWCBRCZEN-LLVKDONJSA-N 1 2 326.696 3.741 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]Cc1cncc(Br)c1)CO2 ZINC000342413101 1025275021 /nfs/dbraw/zinc/27/50/21/1025275021.db2.gz ALOBFCBHSJBWFX-LBPRGKRZSA-N 1 2 339.620 3.721 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCc1ccccc1 ZINC000346890267 1025286430 /nfs/dbraw/zinc/28/64/30/1025286430.db2.gz FSLWGUPUIOWCQL-UHFFFAOYSA-N 1 2 327.472 3.707 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3ccc(OCC(C)C)cc3)ccc2[nH+]1 ZINC000521236957 1025289007 /nfs/dbraw/zinc/28/90/07/1025289007.db2.gz HLZBXUWCAQSPHN-UHFFFAOYSA-N 1 2 337.423 3.859 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1ccsc1 ZINC000436005743 1025301546 /nfs/dbraw/zinc/30/15/46/1025301546.db2.gz HIZPKXJRBBBLFY-UHFFFAOYSA-N 1 2 337.452 3.932 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000469821427 1025304293 /nfs/dbraw/zinc/30/42/93/1025304293.db2.gz QPCLTOGZFPSKMO-OMIIGZTASA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000469821427 1025304304 /nfs/dbraw/zinc/30/43/04/1025304304.db2.gz QPCLTOGZFPSKMO-OMIIGZTASA-N 1 2 336.426 3.653 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617514283 1025314552 /nfs/dbraw/zinc/31/45/52/1025314552.db2.gz OUGGMHGYWCKPGG-AUUYWEPGSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617514283 1025314567 /nfs/dbraw/zinc/31/45/67/1025314567.db2.gz OUGGMHGYWCKPGG-AUUYWEPGSA-N 1 2 345.874 3.866 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000611576755 1025342956 /nfs/dbraw/zinc/34/29/56/1025342956.db2.gz WVAMMMNGTYGEIZ-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000611576755 1025342969 /nfs/dbraw/zinc/34/29/69/1025342969.db2.gz WVAMMMNGTYGEIZ-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCC[C@H](C)C3)cn2c1 ZINC000505758620 1025383297 /nfs/dbraw/zinc/38/32/97/1025383297.db2.gz OZYMODXTQIYBRP-YOEHRIQHSA-N 1 2 345.512 3.913 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+]Cc3ccc4c(c3)CCCC4)[nH]2)cc1 ZINC000515578361 1025385322 /nfs/dbraw/zinc/38/53/22/1025385322.db2.gz PMXWXHCKLSLHHI-UHFFFAOYSA-N 1 2 336.414 3.779 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+]Cc3ccc4c(c3)CCCC4)n2)cc1 ZINC000515578361 1025385337 /nfs/dbraw/zinc/38/53/37/1025385337.db2.gz PMXWXHCKLSLHHI-UHFFFAOYSA-N 1 2 336.414 3.779 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000346989911 1025392241 /nfs/dbraw/zinc/39/22/41/1025392241.db2.gz SWJJFMKNEYRMJH-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000346989911 1025392253 /nfs/dbraw/zinc/39/22/53/1025392253.db2.gz SWJJFMKNEYRMJH-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000346994146 1025397214 /nfs/dbraw/zinc/39/72/14/1025397214.db2.gz WDHQCOKTHOFPSV-UHFFFAOYSA-N 1 2 349.519 3.668 20 0 EHADLO Cn1c(Cl)cnc1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281715945 1025403111 /nfs/dbraw/zinc/40/31/11/1025403111.db2.gz OWJKXBOFFPBMJU-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1coc2cc(F)ccc12 ZINC000347014398 1025409829 /nfs/dbraw/zinc/40/98/29/1025409829.db2.gz XFOOQUASJUOHLH-UHFFFAOYSA-N 1 2 349.365 3.747 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nc([C@@H](C)OCC)no2)C(C)C)cc1 ZINC000347036211 1025420194 /nfs/dbraw/zinc/42/01/94/1025420194.db2.gz FRXUUYMHDMUPAW-OAHLLOKOSA-N 1 2 347.459 3.976 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nc([C@@H](C)OCC)no2)C(C)C)cc1 ZINC000347036211 1025420198 /nfs/dbraw/zinc/42/01/98/1025420198.db2.gz FRXUUYMHDMUPAW-OAHLLOKOSA-N 1 2 347.459 3.976 20 0 EHADLO C[C@H]1[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1(F)F ZINC000436185323 1025437860 /nfs/dbraw/zinc/43/78/60/1025437860.db2.gz LRAXIEBKGYEISP-XHDPSFHLSA-N 1 2 331.366 3.726 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000436188052 1025439653 /nfs/dbraw/zinc/43/96/53/1025439653.db2.gz IMZLYOPILQLVEU-FZMZJTMJSA-N 1 2 325.334 3.579 20 0 EHADLO CCCSCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436191989 1025465434 /nfs/dbraw/zinc/46/54/34/1025465434.db2.gz RIXULKPDCPEJCS-UHFFFAOYSA-N 1 2 329.469 3.968 20 0 EHADLO CCn1nc(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1Cl ZINC000173363574 1033284332 /nfs/dbraw/zinc/28/43/32/1033284332.db2.gz USXAYXXCOGBIAL-UHFFFAOYSA-N 1 2 329.791 3.507 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(CC(C)C)CC3)CC2)c1 ZINC000442754922 1025465764 /nfs/dbraw/zinc/46/57/64/1025465764.db2.gz QXQARVKMCGWZAP-KRWDZBQOSA-N 1 2 344.499 3.727 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000665453359 1025489445 /nfs/dbraw/zinc/48/94/45/1025489445.db2.gz KCPBHGFOZQXXSU-CVEARBPZSA-N 1 2 330.476 3.802 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000515722173 1025519477 /nfs/dbraw/zinc/51/94/77/1025519477.db2.gz KESKJEHDMLDPLE-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000515722173 1025519487 /nfs/dbraw/zinc/51/94/87/1025519487.db2.gz KESKJEHDMLDPLE-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000303588306 1025532210 /nfs/dbraw/zinc/53/22/10/1025532210.db2.gz GWPLDVAROBBGSG-UPTPFMHGSA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000303588306 1025532222 /nfs/dbraw/zinc/53/22/22/1025532222.db2.gz GWPLDVAROBBGSG-UPTPFMHGSA-N 1 2 332.488 3.601 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3cccc(OC4CC4)c3F)nc12 ZINC000657367279 1025561551 /nfs/dbraw/zinc/56/15/51/1025561551.db2.gz NPDPOLCJIUMTPG-UHFFFAOYSA-N 1 2 325.387 3.613 20 0 EHADLO CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000602992117 1033290705 /nfs/dbraw/zinc/29/07/05/1033290705.db2.gz SSSPGXGWVODLQR-GOSISDBHSA-N 1 2 328.460 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000442883607 1025564602 /nfs/dbraw/zinc/56/46/02/1025564602.db2.gz HVGINNVYTRWBMO-VIFPVBQESA-N 1 2 332.395 3.949 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000442883607 1025564614 /nfs/dbraw/zinc/56/46/14/1025564614.db2.gz HVGINNVYTRWBMO-VIFPVBQESA-N 1 2 332.395 3.949 20 0 EHADLO Cc1cc(-c2noc(C[NH+]3CC(C)(C)OC(C)(C)C3)n2)ccc1F ZINC000442886958 1025569063 /nfs/dbraw/zinc/56/90/63/1025569063.db2.gz SEEMPRCNHQAXOC-UHFFFAOYSA-N 1 2 333.407 3.574 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1C(F)(F)F ZINC000898021484 1033292506 /nfs/dbraw/zinc/29/25/06/1033292506.db2.gz IRXQMQJWLIARCL-UHFFFAOYSA-N 1 2 343.296 3.809 20 0 EHADLO FC(F)Oc1cc(C[NH2+][C@H]2COCc3cccc(Cl)c32)ccn1 ZINC000926378892 1025602641 /nfs/dbraw/zinc/60/26/41/1025602641.db2.gz RFMZNSSLXFDJBI-ZDUSSCGKSA-N 1 2 340.757 3.698 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cncc(Br)c2)C1 ZINC000347168730 1025606804 /nfs/dbraw/zinc/60/68/04/1025606804.db2.gz OASNINNWWSRJTL-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cncc(Br)c2)C1 ZINC000347168730 1025606816 /nfs/dbraw/zinc/60/68/16/1025606816.db2.gz OASNINNWWSRJTL-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c(Cl)c1OC ZINC000442968406 1025628865 /nfs/dbraw/zinc/62/88/65/1025628865.db2.gz QUIIWGFFQSQTRF-ZIAGYGMSSA-N 1 2 339.863 3.889 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c(Cl)c1OC ZINC000442968406 1025628869 /nfs/dbraw/zinc/62/88/69/1025628869.db2.gz QUIIWGFFQSQTRF-ZIAGYGMSSA-N 1 2 339.863 3.889 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)C[C@H](CO)O1 ZINC000347202527 1025644582 /nfs/dbraw/zinc/64/45/82/1025644582.db2.gz FQHKKBOVUSNBCZ-QFBILLFUSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)C[C@H](CO)O1 ZINC000347202527 1025644591 /nfs/dbraw/zinc/64/45/91/1025644591.db2.gz FQHKKBOVUSNBCZ-QFBILLFUSA-N 1 2 343.492 3.561 20 0 EHADLO CCCc1occc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281895006 1025646525 /nfs/dbraw/zinc/64/65/25/1025646525.db2.gz NWXIFNOWVVNQOF-HNNXBMFYSA-N 1 2 342.439 3.878 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OCC ZINC000277525316 1025666619 /nfs/dbraw/zinc/66/66/19/1025666619.db2.gz XUOSWGDIRVAFRL-KBPBESRZSA-N 1 2 346.475 3.966 20 0 EHADLO CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000521782278 1025671574 /nfs/dbraw/zinc/67/15/74/1025671574.db2.gz QHLJBOULFDFGEH-LJQANCHMSA-N 1 2 340.471 3.772 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc(C)c1F ZINC000179314835 1025678882 /nfs/dbraw/zinc/67/88/82/1025678882.db2.gz HETSXLVJEMGIMC-UHFFFAOYSA-N 1 2 337.398 3.617 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(OC3CC3)c2F)o1 ZINC000657376288 1025686623 /nfs/dbraw/zinc/68/66/23/1025686623.db2.gz QCYBSJPZRNBMJZ-MRXNPFEDSA-N 1 2 333.403 4.000 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000281919359 1025701316 /nfs/dbraw/zinc/70/13/16/1025701316.db2.gz AJZWPTZMJJINAK-VQIMIIECSA-N 1 2 330.472 3.673 20 0 EHADLO Cc1cc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)nc(C(C)C)[nH+]1 ZINC000342471168 1025706375 /nfs/dbraw/zinc/70/63/75/1025706375.db2.gz WKSJMUFEOCZEHX-AWEZNQCLSA-N 1 2 347.463 3.661 20 0 EHADLO CC[C@H](NCc1c[nH+]c2n1CCC2)c1nc(C(F)(F)F)cs1 ZINC000657381305 1025720141 /nfs/dbraw/zinc/72/01/41/1025720141.db2.gz BCCQLCKMWQMLJD-JTQLQIEISA-N 1 2 330.379 3.546 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000657381623 1025725457 /nfs/dbraw/zinc/72/54/57/1025725457.db2.gz HCZDYVAYIPOURZ-UONOGXRCSA-N 1 2 347.459 3.632 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(C(C)(C)C)[nH]n1)c1ccc(Cl)cc1 ZINC000655391245 1025742451 /nfs/dbraw/zinc/74/24/51/1025742451.db2.gz GUNVOBVSYUOQQV-HNNXBMFYSA-N 1 2 334.851 3.602 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1c1ccccc1 ZINC000451280597 1025752117 /nfs/dbraw/zinc/75/21/17/1025752117.db2.gz HIYJIDWPEBZGNJ-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1c1ccccc1 ZINC000451280597 1025752133 /nfs/dbraw/zinc/75/21/33/1025752133.db2.gz HIYJIDWPEBZGNJ-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1c1ccccc1 ZINC000451282479 1025755752 /nfs/dbraw/zinc/75/57/52/1025755752.db2.gz LPBHJXXGGDIQCJ-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1c1ccccc1 ZINC000451282479 1025755759 /nfs/dbraw/zinc/75/57/59/1025755759.db2.gz LPBHJXXGGDIQCJ-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)s1 ZINC000466952373 1025778699 /nfs/dbraw/zinc/77/86/99/1025778699.db2.gz FEHBMRFLLZMPLF-YOEHRIQHSA-N 1 2 345.464 3.805 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)s1 ZINC000466952373 1025778711 /nfs/dbraw/zinc/77/87/11/1025778711.db2.gz FEHBMRFLLZMPLF-YOEHRIQHSA-N 1 2 345.464 3.805 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)COCc1ccccc1 ZINC000521935508 1025788019 /nfs/dbraw/zinc/78/80/19/1025788019.db2.gz UBNWNAUUJYWBMQ-KRWDZBQOSA-N 1 2 340.471 3.732 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)COCc1ccccc1 ZINC000521935508 1025788035 /nfs/dbraw/zinc/78/80/35/1025788035.db2.gz UBNWNAUUJYWBMQ-KRWDZBQOSA-N 1 2 340.471 3.732 20 0 EHADLO C[C@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccn(C)n1 ZINC000521982325 1025853334 /nfs/dbraw/zinc/85/33/34/1025853334.db2.gz GKWRNORQKNVZDU-KBXCAEBGSA-N 1 2 332.879 3.561 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)c1OC ZINC000530452141 1025853990 /nfs/dbraw/zinc/85/39/90/1025853990.db2.gz REOQITMBHJKQBX-AWEZNQCLSA-N 1 2 330.428 3.737 20 0 EHADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000530471641 1025879476 /nfs/dbraw/zinc/87/94/76/1025879476.db2.gz WMDBMMSTMLVBDK-APPDUMDISA-N 1 2 328.799 3.963 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561315 1025893310 /nfs/dbraw/zinc/89/33/10/1025893310.db2.gz QMEKTXNBXYTDFT-RBUKOAKNSA-N 1 2 340.492 3.504 20 0 EHADLO COc1cc(OC)c(CNc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000121830336 1025901790 /nfs/dbraw/zinc/90/17/90/1025901790.db2.gz SDDSIHZPDFFVCE-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](CSc3ccccc3)C2)c[nH+]1 ZINC000896721163 1025903501 /nfs/dbraw/zinc/90/35/01/1025903501.db2.gz KKQVHADOSLWYDX-MRXNPFEDSA-N 1 2 343.496 3.567 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCOCC34CCC4)c2cc1C(C)C ZINC000135519000 1025918867 /nfs/dbraw/zinc/91/88/67/1025918867.db2.gz QRLHXNJIDHGPKA-UHFFFAOYSA-N 1 2 341.451 3.980 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCOCC34CCC4)c2cc1C(C)C ZINC000135519000 1025918885 /nfs/dbraw/zinc/91/88/85/1025918885.db2.gz QRLHXNJIDHGPKA-UHFFFAOYSA-N 1 2 341.451 3.980 20 0 EHADLO CC(C)(CNC(=O)c1c(O)cc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000436599328 1025931870 /nfs/dbraw/zinc/93/18/70/1025931870.db2.gz CIXFHCPGVXUIPZ-UHFFFAOYSA-N 1 2 345.270 3.551 20 0 EHADLO O[C@]1(C(F)F)CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451430322 1025940176 /nfs/dbraw/zinc/94/01/76/1025940176.db2.gz MLPOTOWAGYPFFT-OAHLLOKOSA-N 1 2 344.814 3.665 20 0 EHADLO O[C@]1(C(F)F)CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451430322 1025940188 /nfs/dbraw/zinc/94/01/88/1025940188.db2.gz MLPOTOWAGYPFFT-OAHLLOKOSA-N 1 2 344.814 3.665 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2OC)c(OC)c1 ZINC001143561650 1025961549 /nfs/dbraw/zinc/96/15/49/1025961549.db2.gz WCERXPGLOMHUNY-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2OC)c(OC)c1 ZINC001143561650 1025961561 /nfs/dbraw/zinc/96/15/61/1025961561.db2.gz WCERXPGLOMHUNY-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Fc1cc(C[NH+]2CCC3(CCOC3)CC2)c(F)cc1Br ZINC001141910878 1025963410 /nfs/dbraw/zinc/96/34/10/1025963410.db2.gz ZHUUBODAQOADMD-UHFFFAOYSA-N 1 2 346.215 3.730 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000516085915 1025964421 /nfs/dbraw/zinc/96/44/21/1025964421.db2.gz SOKRXKFDMZALIZ-OAHLLOKOSA-N 1 2 329.444 3.676 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000516085915 1025964429 /nfs/dbraw/zinc/96/44/29/1025964429.db2.gz SOKRXKFDMZALIZ-OAHLLOKOSA-N 1 2 329.444 3.676 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[N@@H+]3CCc4ccccc4C3)n2)c1 ZINC000191174147 1025971172 /nfs/dbraw/zinc/97/11/72/1025971172.db2.gz MWGGVGPEEXPVJP-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000191174147 1025971182 /nfs/dbraw/zinc/97/11/82/1025971182.db2.gz MWGGVGPEEXPVJP-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CCS1 ZINC000444267811 1025990567 /nfs/dbraw/zinc/99/05/67/1025990567.db2.gz IDRJLZLSLPVEOT-QGZVFWFLSA-N 1 2 346.496 3.756 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CCS1 ZINC000444267811 1025990577 /nfs/dbraw/zinc/99/05/77/1025990577.db2.gz IDRJLZLSLPVEOT-QGZVFWFLSA-N 1 2 346.496 3.756 20 0 EHADLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(Cl)cc1)C2 ZINC001279145256 1025993044 /nfs/dbraw/zinc/99/30/44/1025993044.db2.gz WIHVSCFXVUHKCF-GOSISDBHSA-N 1 2 342.870 3.507 20 0 EHADLO Cc1[nH]c(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)[nH+]c1C ZINC000896917061 1026002509 /nfs/dbraw/zinc/00/25/09/1026002509.db2.gz PWBJTOXLIDTKBP-UHFFFAOYSA-N 1 2 338.238 3.681 20 0 EHADLO C/C(=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1C(F)(F)F ZINC000896919694 1026027325 /nfs/dbraw/zinc/02/73/25/1026027325.db2.gz YFGNWUFVUREQEY-CSKARUKUSA-N 1 2 337.345 3.765 20 0 EHADLO CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)Oc1ccccc1C ZINC001126540451 1026029229 /nfs/dbraw/zinc/02/92/29/1026029229.db2.gz YJZHUHSSLFYWNJ-KRWDZBQOSA-N 1 2 337.423 3.539 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(Cl)c2OC)c1C ZINC000051643191 1026058593 /nfs/dbraw/zinc/05/85/93/1026058593.db2.gz UYBKEDOSLQWPIU-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO C[C@H](c1ccccc1F)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000342525161 1026088642 /nfs/dbraw/zinc/08/86/42/1026088642.db2.gz WVFPOHFJSKJMJX-OAHLLOKOSA-N 1 2 338.430 3.581 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(C)nc(-c3cccnc3)n2)[nH+]c1C ZINC000895193890 1026089439 /nfs/dbraw/zinc/08/94/39/1026089439.db2.gz VWPLUZHUZKJZFP-MRXNPFEDSA-N 1 2 334.427 3.528 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(O)c1 ZINC000436722003 1026092259 /nfs/dbraw/zinc/09/22/59/1026092259.db2.gz ZUPQXCRCBLTZLJ-UHFFFAOYSA-N 1 2 345.402 3.868 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000277574494 1026092457 /nfs/dbraw/zinc/09/24/57/1026092457.db2.gz OBNBZMPUDFTIBB-QZTJIDSGSA-N 1 2 343.446 3.627 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC3CCCC3)cn2c1 ZINC000042464140 1026092738 /nfs/dbraw/zinc/09/27/38/1026092738.db2.gz RRLPXIPIZZVPJX-UHFFFAOYSA-N 1 2 331.485 3.572 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCC[C@H]3C)cn2c1 ZINC000042463916 1026094560 /nfs/dbraw/zinc/09/45/60/1026094560.db2.gz GYWPCYWFUILQJF-ZBFHGGJFSA-N 1 2 331.485 3.571 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2cc(F)c(Br)cc2Cl)CC1 ZINC001141920391 1026109555 /nfs/dbraw/zinc/10/95/55/1026109555.db2.gz SAADBDAAWWKXSE-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2cc(F)c(Br)cc2Cl)CC1 ZINC001141920391 1026109565 /nfs/dbraw/zinc/10/95/65/1026109565.db2.gz SAADBDAAWWKXSE-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000152437362 1026110940 /nfs/dbraw/zinc/11/09/40/1026110940.db2.gz BDKLJEHRKWBZLI-INIZCTEOSA-N 1 2 347.418 3.760 20 0 EHADLO Brc1cccc([C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000451562695 1026134648 /nfs/dbraw/zinc/13/46/48/1026134648.db2.gz CVMNRJUGZUUNMD-CYBMUJFWSA-N 1 2 348.244 3.699 20 0 EHADLO Brc1cccc([C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000451562695 1026134654 /nfs/dbraw/zinc/13/46/54/1026134654.db2.gz CVMNRJUGZUUNMD-CYBMUJFWSA-N 1 2 348.244 3.699 20 0 EHADLO CC(C)(C)c1ncsc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000176666327 1026136311 /nfs/dbraw/zinc/13/63/11/1026136311.db2.gz SLOGYOQHSKZDHB-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896956559 1026157617 /nfs/dbraw/zinc/15/76/17/1026157617.db2.gz OSIHBDLIWILRRJ-INIZCTEOSA-N 1 2 343.471 3.729 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000043040015 1026159034 /nfs/dbraw/zinc/15/90/34/1026159034.db2.gz PAIRJDMNRKCEIR-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000475122320 1026197220 /nfs/dbraw/zinc/19/72/20/1026197220.db2.gz VFEXUNWZHDMUBS-UXHICEINSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000475122320 1026197224 /nfs/dbraw/zinc/19/72/24/1026197224.db2.gz VFEXUNWZHDMUBS-UXHICEINSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475128805 1026214070 /nfs/dbraw/zinc/21/40/70/1026214070.db2.gz JXVKNCLFNAESAO-PVAVHDDUSA-N 1 2 328.460 3.594 20 0 EHADLO CC(=O)c1cc(C[N@H+](C)CCOc2ccccc2C(C)(C)C)on1 ZINC000563352484 1026218232 /nfs/dbraw/zinc/21/82/32/1026218232.db2.gz DVTOHEDKLKTBMX-UHFFFAOYSA-N 1 2 330.428 3.686 20 0 EHADLO CC(=O)c1cc(C[N@@H+](C)CCOc2ccccc2C(C)(C)C)on1 ZINC000563352484 1026218247 /nfs/dbraw/zinc/21/82/47/1026218247.db2.gz DVTOHEDKLKTBMX-UHFFFAOYSA-N 1 2 330.428 3.686 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122120644 1026246262 /nfs/dbraw/zinc/24/62/62/1026246262.db2.gz MEOFLAJTLDCECQ-AWEZNQCLSA-N 1 2 325.522 3.655 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122120644 1026246269 /nfs/dbraw/zinc/24/62/69/1026246269.db2.gz MEOFLAJTLDCECQ-AWEZNQCLSA-N 1 2 325.522 3.655 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724194 1026250188 /nfs/dbraw/zinc/25/01/88/1026250188.db2.gz WUAKUGQOBJPRFC-MSOLQXFVSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724194 1026250198 /nfs/dbraw/zinc/25/01/98/1026250198.db2.gz WUAKUGQOBJPRFC-MSOLQXFVSA-N 1 2 338.455 3.635 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347358279 1026277615 /nfs/dbraw/zinc/27/76/15/1026277615.db2.gz SBFOSVBWFXETMC-NSHDSACASA-N 1 2 348.288 3.746 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347358279 1026277628 /nfs/dbraw/zinc/27/76/28/1026277628.db2.gz SBFOSVBWFXETMC-NSHDSACASA-N 1 2 348.288 3.746 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(C)n1C ZINC000530777924 1026287254 /nfs/dbraw/zinc/28/72/54/1026287254.db2.gz BFKCDDISQWNLEV-UHFFFAOYSA-N 1 2 346.515 3.884 20 0 EHADLO Cc1cn2cc(NC(=O)CCOc3cccc(Cl)c3)ccc2[nH+]1 ZINC000523006281 1026293879 /nfs/dbraw/zinc/29/38/79/1026293879.db2.gz IDOHFKGSEBFHRF-UHFFFAOYSA-N 1 2 329.787 3.704 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(C)c1Cl ZINC000277610474 1026310274 /nfs/dbraw/zinc/31/02/74/1026310274.db2.gz QVZKMWQSJRNAPD-UHFFFAOYSA-N 1 2 347.890 3.889 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000277612924 1026316014 /nfs/dbraw/zinc/31/60/14/1026316014.db2.gz WNNHWHWFJDMYJY-JCQPUDPBSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000277612924 1026316028 /nfs/dbraw/zinc/31/60/28/1026316028.db2.gz WNNHWHWFJDMYJY-JCQPUDPBSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](Cc4ccccc4)[C@@H]3C)[nH+]c12 ZINC000530834062 1026330520 /nfs/dbraw/zinc/33/05/20/1026330520.db2.gz MWJGOUUZZYXZCL-HKUYNNGSSA-N 1 2 347.462 3.665 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(Oc2ccccc2)ccn1 ZINC000342573630 1026333720 /nfs/dbraw/zinc/33/37/20/1026333720.db2.gz OYAVMKFUGNGSQY-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907741 1026374438 /nfs/dbraw/zinc/37/44/38/1026374438.db2.gz MREZXAUCXSZVHD-OCCSQVGLSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907741 1026374450 /nfs/dbraw/zinc/37/44/50/1026374450.db2.gz MREZXAUCXSZVHD-OCCSQVGLSA-N 1 2 348.434 3.936 20 0 EHADLO COC(=O)C(C)(C)CCNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000475207980 1026386661 /nfs/dbraw/zinc/38/66/61/1026386661.db2.gz PWTLVLZMGYRKOY-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641593 1026418326 /nfs/dbraw/zinc/41/83/26/1026418326.db2.gz CCPHXPKFVPHZKN-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641593 1026418331 /nfs/dbraw/zinc/41/83/31/1026418331.db2.gz CCPHXPKFVPHZKN-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1nncn1-c1ccccc1)CCS2 ZINC000152615704 1026444749 /nfs/dbraw/zinc/44/47/49/1026444749.db2.gz NLYXJCQXCDFFFE-INIZCTEOSA-N 1 2 340.427 3.733 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000475325550 1026476027 /nfs/dbraw/zinc/47/60/27/1026476027.db2.gz VWBVHOVJZHHGGV-OAHLLOKOSA-N 1 2 329.444 3.973 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277660724 1026478641 /nfs/dbraw/zinc/47/86/41/1026478641.db2.gz OYTOSPBSSGTUEY-GYCJOSAFSA-N 1 2 343.492 3.705 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277660724 1026478643 /nfs/dbraw/zinc/47/86/43/1026478643.db2.gz OYTOSPBSSGTUEY-GYCJOSAFSA-N 1 2 343.492 3.705 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)c1 ZINC000475348385 1026499297 /nfs/dbraw/zinc/49/92/97/1026499297.db2.gz TWRVQFSVDVYEJH-APWZRJJASA-N 1 2 344.499 3.727 20 0 EHADLO CC1(C)CC2(CC(Nc3[nH+]cnc4c3cnn4-c3ccccc3)C2)CO1 ZINC000897216383 1026507738 /nfs/dbraw/zinc/50/77/38/1026507738.db2.gz QCDQMXOSDQDGTF-UHFFFAOYSA-N 1 2 349.438 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccoc1 ZINC000342627124 1026509180 /nfs/dbraw/zinc/50/91/80/1026509180.db2.gz BJPRQTHRASSBLR-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccoc1 ZINC000342627124 1026509188 /nfs/dbraw/zinc/50/91/88/1026509188.db2.gz BJPRQTHRASSBLR-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000531053426 1026513217 /nfs/dbraw/zinc/51/32/17/1026513217.db2.gz WEUHMXWNMIFIKS-CQSZACIVSA-N 1 2 338.436 3.553 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)cc1Br)C[C@H]1CCCCO1 ZINC001142010534 1026513527 /nfs/dbraw/zinc/51/35/27/1026513527.db2.gz BQQUZHQJPZBETI-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)cc1Br)C[C@H]1CCCCO1 ZINC001142010534 1026513522 /nfs/dbraw/zinc/51/35/22/1026513522.db2.gz BQQUZHQJPZBETI-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342647878 1026567266 /nfs/dbraw/zinc/56/72/66/1026567266.db2.gz VIPUTJRDPNQXOJ-LLVKDONJSA-N 1 2 342.317 3.637 20 0 EHADLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342647878 1026567276 /nfs/dbraw/zinc/56/72/76/1026567276.db2.gz VIPUTJRDPNQXOJ-LLVKDONJSA-N 1 2 342.317 3.637 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000023787883 1026571128 /nfs/dbraw/zinc/57/11/28/1026571128.db2.gz AOZOVJVGUCYHFQ-UHFFFAOYSA-N 1 2 340.492 3.503 20 0 EHADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000375716565 1026618187 /nfs/dbraw/zinc/61/81/87/1026618187.db2.gz CONLGTQJTNRBII-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000375716565 1026618191 /nfs/dbraw/zinc/61/81/91/1026618191.db2.gz CONLGTQJTNRBII-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c3cc(F)ccc32)c1C ZINC000192928875 1026641493 /nfs/dbraw/zinc/64/14/93/1026641493.db2.gz ZAWVTHQWQUFXRA-UHFFFAOYSA-N 1 2 341.386 3.600 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000168015054 1026648381 /nfs/dbraw/zinc/64/83/81/1026648381.db2.gz NMGFWCINKJHUKV-CZUORRHYSA-N 1 2 345.466 3.792 20 0 EHADLO CC(C)CO[C@H](C)c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000531194955 1026667539 /nfs/dbraw/zinc/66/75/39/1026667539.db2.gz BDLRGYORFCPSFQ-CQSZACIVSA-N 1 2 342.399 3.568 20 0 EHADLO O=C(c1cccc(-c2cscn2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531196770 1026680223 /nfs/dbraw/zinc/68/02/23/1026680223.db2.gz DSQVRAMYAZTVQK-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1cccc(-c2cscn2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531196770 1026680227 /nfs/dbraw/zinc/68/02/27/1026680227.db2.gz DSQVRAMYAZTVQK-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccccc1F)C(F)(F)F ZINC000511171142 1026688787 /nfs/dbraw/zinc/68/87/87/1026688787.db2.gz IGJBVWVHHHDHSS-MRXNPFEDSA-N 1 2 327.321 3.751 20 0 EHADLO O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccccc1F)C(F)(F)F ZINC000511171142 1026688795 /nfs/dbraw/zinc/68/87/95/1026688795.db2.gz IGJBVWVHHHDHSS-MRXNPFEDSA-N 1 2 327.321 3.751 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC000122772688 1026725509 /nfs/dbraw/zinc/72/55/09/1026725509.db2.gz UOHIKCCKJXAOGL-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO Cc1ncsc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277738810 1026743223 /nfs/dbraw/zinc/74/32/23/1026743223.db2.gz PZWDGIVADULQKH-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CC(C)c1noc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301318074 1026760823 /nfs/dbraw/zinc/76/08/23/1026760823.db2.gz BZGFYKRDXDFQBZ-LBPRGKRZSA-N 1 2 336.386 3.548 20 0 EHADLO CC(C)c1noc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301318074 1026760833 /nfs/dbraw/zinc/76/08/33/1026760833.db2.gz BZGFYKRDXDFQBZ-LBPRGKRZSA-N 1 2 336.386 3.548 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(SC(F)F)cc1 ZINC000115160671 1026777113 /nfs/dbraw/zinc/77/71/13/1026777113.db2.gz QNYHJGORTWIXPP-UHFFFAOYSA-N 1 2 337.395 3.628 20 0 EHADLO Cc1ccc(OCCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c(C)c1 ZINC000531286940 1026782142 /nfs/dbraw/zinc/78/21/42/1026782142.db2.gz HKUXPCFLOKKUME-UHFFFAOYSA-N 1 2 349.434 3.606 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@@H]1CCCOC1 ZINC000301379228 1026782809 /nfs/dbraw/zinc/78/28/09/1026782809.db2.gz XONJPQHQFJLQMF-AWEZNQCLSA-N 1 2 328.412 3.558 20 0 EHADLO Clc1cccc2c1CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000301382291 1026783970 /nfs/dbraw/zinc/78/39/70/1026783970.db2.gz SSMJLZMJKLYSBH-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO Clc1cccc2c1CCN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000301382291 1026783978 /nfs/dbraw/zinc/78/39/78/1026783978.db2.gz SSMJLZMJKLYSBH-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO Cc1nsc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301407399 1026795903 /nfs/dbraw/zinc/79/59/03/1026795903.db2.gz VTBNURGCHJWSKG-ZDUSSCGKSA-N 1 2 340.855 3.716 20 0 EHADLO Cc1nsc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301407399 1026795911 /nfs/dbraw/zinc/79/59/11/1026795911.db2.gz VTBNURGCHJWSKG-ZDUSSCGKSA-N 1 2 340.855 3.716 20 0 EHADLO COc1ccc(OC)c(CCNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000301516804 1026835499 /nfs/dbraw/zinc/83/54/99/1026835499.db2.gz LYRRYFVWYCRCKW-UHFFFAOYSA-N 1 2 326.318 3.772 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531350053 1026836255 /nfs/dbraw/zinc/83/62/55/1026836255.db2.gz ZTUPGPRJOHQTHM-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC(C)c1nsc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000301524742 1026838888 /nfs/dbraw/zinc/83/88/88/1026838888.db2.gz PGIIBCOOKWOONR-LBPRGKRZSA-N 1 2 326.416 3.655 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025419927 1026859051 /nfs/dbraw/zinc/85/90/51/1026859051.db2.gz DBSOPUXFJALZNJ-QFIPXVFZSA-N 1 2 345.446 3.962 20 0 EHADLO Cc1cc(NCCCC(=O)N2CCc3ccccc32)nc(C(C)C)[nH+]1 ZINC000301644677 1026887490 /nfs/dbraw/zinc/88/74/90/1026887490.db2.gz HJHHPFLSDNARKR-UHFFFAOYSA-N 1 2 338.455 3.690 20 0 EHADLO COC(=O)c1cc(CNc2[nH+]c3ccccc3cc2C)ccc1OC ZINC000301701265 1026907168 /nfs/dbraw/zinc/90/71/68/1026907168.db2.gz QBERJAJAHORTGX-UHFFFAOYSA-N 1 2 336.391 3.951 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC1CCN(C(=O)CC(C)C)CC1 ZINC000301703719 1026909091 /nfs/dbraw/zinc/90/90/91/1026909091.db2.gz RCPBEKSVPCBFDP-UHFFFAOYSA-N 1 2 325.456 3.992 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCCS(=O)(=O)c1ccccc1 ZINC000301713590 1026912851 /nfs/dbraw/zinc/91/28/51/1026912851.db2.gz WESXKENMQYKVJT-UHFFFAOYSA-N 1 2 340.448 3.819 20 0 EHADLO COc1cc(OC)cc([C@H](O)CNc2[nH+]c3ccccc3cc2C)c1 ZINC000301743943 1026922931 /nfs/dbraw/zinc/92/29/31/1026922931.db2.gz ZORISKMQGDKWJJ-LJQANCHMSA-N 1 2 338.407 3.706 20 0 EHADLO CC(C)(C)c1nnc(NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000301744636 1026923420 /nfs/dbraw/zinc/92/34/20/1026923420.db2.gz WOIVOLYURNYCIU-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO O=C(CC[C@@H]1CCOC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277784469 1026926348 /nfs/dbraw/zinc/92/63/48/1026926348.db2.gz UQEMHEGYEJBZCC-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000566319616 1026933661 /nfs/dbraw/zinc/93/36/61/1026933661.db2.gz BPPFDFZEOKITDR-LBPRGKRZSA-N 1 2 325.334 3.512 20 0 EHADLO Nc1nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)[nH+]c2ccccc12 ZINC000301791507 1026940178 /nfs/dbraw/zinc/94/01/78/1026940178.db2.gz QWJYTMFDHNXSQZ-CYBMUJFWSA-N 1 2 345.406 3.737 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000153034281 1026952876 /nfs/dbraw/zinc/95/28/76/1026952876.db2.gz GPTOFJOSYUEJOV-AQNCSGRASA-N 1 2 343.858 3.612 20 0 EHADLO Fc1cccc(OC(F)F)c1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301829128 1026956203 /nfs/dbraw/zinc/95/62/03/1026956203.db2.gz OSJJUAYVHZPERU-UHFFFAOYSA-N 1 2 338.333 3.651 20 0 EHADLO Fc1cccc(OC(F)F)c1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301829128 1026956211 /nfs/dbraw/zinc/95/62/11/1026956211.db2.gz OSJJUAYVHZPERU-UHFFFAOYSA-N 1 2 338.333 3.651 20 0 EHADLO COc1cc(CN(C)c2nc(N)c3ccccc3[nH+]2)ccc1SC ZINC000301862780 1026969304 /nfs/dbraw/zinc/96/93/04/1026969304.db2.gz GIEJTZOGAPTWJL-UHFFFAOYSA-N 1 2 340.452 3.579 20 0 EHADLO CC(C)c1cc(N[C@H]2CCN(c3ncccc3F)C2)nc(C(C)C)[nH+]1 ZINC000301861914 1026969801 /nfs/dbraw/zinc/96/98/01/1026969801.db2.gz LCUYDJHTFUWFPW-AWEZNQCLSA-N 1 2 343.450 3.948 20 0 EHADLO Nc1nc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH+]c2ccccc12 ZINC000301867994 1026971630 /nfs/dbraw/zinc/97/16/30/1026971630.db2.gz DWPGQKPTJAOZFQ-AWEZNQCLSA-N 1 2 349.221 3.664 20 0 EHADLO CC(C)c1cc(NCCNC(=O)c2cccs2)nc(C(C)C)[nH+]1 ZINC000301887759 1026979289 /nfs/dbraw/zinc/97/92/89/1026979289.db2.gz RFASSRSNIAISSY-UHFFFAOYSA-N 1 2 332.473 3.627 20 0 EHADLO COc1ccc(CC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000301891453 1026981739 /nfs/dbraw/zinc/98/17/39/1026981739.db2.gz RLQAFMFTOGLXQU-UHFFFAOYSA-N 1 2 348.450 3.680 20 0 EHADLO Nc1nc(NCc2cccc(-c3ccccn3)c2)[nH+]c2ccccc12 ZINC000301891401 1026981928 /nfs/dbraw/zinc/98/19/28/1026981928.db2.gz MBQMDOPUQBIHSL-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO CC(C)(O)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305786584 1026983597 /nfs/dbraw/zinc/98/35/97/1026983597.db2.gz RWQZGRVAFUUNNB-UHFFFAOYSA-N 1 2 329.444 3.500 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305786584 1026983606 /nfs/dbraw/zinc/98/36/06/1026983606.db2.gz RWQZGRVAFUUNNB-UHFFFAOYSA-N 1 2 329.444 3.500 20 0 EHADLO CCOc1ccccc1CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301896412 1026983958 /nfs/dbraw/zinc/98/39/58/1026983958.db2.gz QJVWSRSIQAMEQB-UHFFFAOYSA-N 1 2 339.443 3.635 20 0 EHADLO Cc1nc(NCc2ccc(NC(=O)C(C)C)cc2)c2c([nH+]1)CCCC2 ZINC000302060647 1027039001 /nfs/dbraw/zinc/03/90/01/1027039001.db2.gz STELDSNOYHMRMA-UHFFFAOYSA-N 1 2 338.455 3.870 20 0 EHADLO Cc1nc(NC[C@H](C[C@H](C)O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302056983 1027039100 /nfs/dbraw/zinc/03/91/00/1027039100.db2.gz AKYKDXYSYXPMAZ-YOEHRIQHSA-N 1 2 325.456 3.630 20 0 EHADLO Clc1ccccc1-c1csc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000302075688 1027044748 /nfs/dbraw/zinc/04/47/48/1027044748.db2.gz IWXIZILIJUEFOD-ZDUSSCGKSA-N 1 2 349.887 3.739 20 0 EHADLO Clc1ccccc1-c1csc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000302075688 1027044754 /nfs/dbraw/zinc/04/47/54/1027044754.db2.gz IWXIZILIJUEFOD-ZDUSSCGKSA-N 1 2 349.887 3.739 20 0 EHADLO CC(C)c1cc(N2CCC(OC[C@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000302117400 1027057816 /nfs/dbraw/zinc/05/78/16/1027057816.db2.gz CKEJWPIQCOLQDP-INIZCTEOSA-N 1 2 347.503 3.745 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1cccc(Cl)c1 ZINC000302129359 1027063336 /nfs/dbraw/zinc/06/33/36/1027063336.db2.gz GILAOYTZWVLZBR-CZUORRHYSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1cccc(Cl)c1 ZINC000302129359 1027063345 /nfs/dbraw/zinc/06/33/45/1027063345.db2.gz GILAOYTZWVLZBR-CZUORRHYSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000531581215 1027068774 /nfs/dbraw/zinc/06/87/74/1027068774.db2.gz YPSGJIHJGCJVJJ-TXIZYHGNSA-N 1 2 341.430 3.626 20 0 EHADLO Cc1nc(N2CCO[C@H](CCc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302153641 1027072163 /nfs/dbraw/zinc/07/21/63/1027072163.db2.gz VDNLJYJEBVWNIP-GOSISDBHSA-N 1 2 337.467 3.502 20 0 EHADLO Cc1nc(NC[C@](C)(O)c2ccccc2Cl)c2c([nH+]1)CCCC2 ZINC000302192419 1027086192 /nfs/dbraw/zinc/08/61/92/1027086192.db2.gz ZUEXJLKSRNWVBI-SFHVURJKSA-N 1 2 331.847 3.637 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000123289145 1027087191 /nfs/dbraw/zinc/08/71/91/1027087191.db2.gz OWSXJSQMTQSQRK-UHFFFAOYSA-N 1 2 335.411 3.562 20 0 EHADLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1ccccc1F ZINC000125573952 1027092763 /nfs/dbraw/zinc/09/27/63/1027092763.db2.gz ORJAKMIVPHHODA-UHFFFAOYSA-N 1 2 334.435 3.578 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000125626633 1027102327 /nfs/dbraw/zinc/10/23/27/1027102327.db2.gz LFEMTONEDVSCKK-GOSISDBHSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000125626633 1027102340 /nfs/dbraw/zinc/10/23/40/1027102340.db2.gz LFEMTONEDVSCKK-GOSISDBHSA-N 1 2 333.439 3.616 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1cccnc1 ZINC000125662880 1027107536 /nfs/dbraw/zinc/10/75/36/1027107536.db2.gz KFUMTRRAUHHHNV-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1cccnc1 ZINC000125662880 1027107545 /nfs/dbraw/zinc/10/75/45/1027107545.db2.gz KFUMTRRAUHHHNV-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1C ZINC000342798188 1027133319 /nfs/dbraw/zinc/13/33/19/1027133319.db2.gz SAJPWLVENKEMKG-HNNXBMFYSA-N 1 2 329.835 3.595 20 0 EHADLO CC(C)Cc1nsc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000302382700 1027135326 /nfs/dbraw/zinc/13/53/26/1027135326.db2.gz IJPHALGQYPOHAN-CYBMUJFWSA-N 1 2 336.530 3.681 20 0 EHADLO CCNC(=O)c1ccc(CNc2cc[nH+]c3c(OC)cccc23)cc1 ZINC000302405459 1027143900 /nfs/dbraw/zinc/14/39/00/1027143900.db2.gz FUAZMRCQGVYDCW-UHFFFAOYSA-N 1 2 335.407 3.605 20 0 EHADLO CCSc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC000302454925 1027155524 /nfs/dbraw/zinc/15/55/24/1027155524.db2.gz SUIFXVFXHNNATJ-UHFFFAOYSA-N 1 2 329.473 3.586 20 0 EHADLO CCSc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC000302454925 1027155535 /nfs/dbraw/zinc/15/55/35/1027155535.db2.gz SUIFXVFXHNNATJ-UHFFFAOYSA-N 1 2 329.473 3.586 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)c1 ZINC000075587952 1027174678 /nfs/dbraw/zinc/17/46/78/1027174678.db2.gz ITSQMVIMLZXCJZ-ZDUSSCGKSA-N 1 2 341.333 3.520 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)c1 ZINC000075587952 1027174688 /nfs/dbraw/zinc/17/46/88/1027174688.db2.gz ITSQMVIMLZXCJZ-ZDUSSCGKSA-N 1 2 341.333 3.520 20 0 EHADLO Brc1cc2c(cc1COc1cc[nH+]cc1)OCCCO2 ZINC000431480336 1027181519 /nfs/dbraw/zinc/18/15/19/1027181519.db2.gz CFYXMMKTVJTNKH-UHFFFAOYSA-N 1 2 336.185 3.584 20 0 EHADLO Cc1nc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC000302541013 1027186656 /nfs/dbraw/zinc/18/66/56/1027186656.db2.gz NVPSMBTUTGGSQZ-BLLLJJGKSA-N 1 2 343.393 3.559 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454219619 1027191471 /nfs/dbraw/zinc/19/14/71/1027191471.db2.gz LAMWFTIYHMXLGM-OAHLLOKOSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)cn2c1 ZINC000501318177 1027195418 /nfs/dbraw/zinc/19/54/18/1027195418.db2.gz AYRHRYGGLOBZPH-JLJPHGGASA-N 1 2 345.512 3.817 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075712257 1027198115 /nfs/dbraw/zinc/19/81/15/1027198115.db2.gz YICPJLQSFAAZHX-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075712257 1027198119 /nfs/dbraw/zinc/19/81/19/1027198119.db2.gz YICPJLQSFAAZHX-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959884 1027213012 /nfs/dbraw/zinc/21/30/12/1027213012.db2.gz CBUFBLVSMNRJPD-LLVKDONJSA-N 1 2 338.333 3.840 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c(F)c2)cc1 ZINC000428348779 1027219533 /nfs/dbraw/zinc/21/95/33/1027219533.db2.gz ABNPUIJXNRKESY-QGZVFWFLSA-N 1 2 349.409 3.742 20 0 EHADLO c1ccc(Cc2nc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)no2)cc1 ZINC000075831749 1027228043 /nfs/dbraw/zinc/22/80/43/1027228043.db2.gz XXFWRPRXGLYDTP-GOSISDBHSA-N 1 2 341.455 3.584 20 0 EHADLO c1ccc(Cc2nc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)no2)cc1 ZINC000075831749 1027228062 /nfs/dbraw/zinc/22/80/62/1027228062.db2.gz XXFWRPRXGLYDTP-GOSISDBHSA-N 1 2 341.455 3.584 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000076051414 1027231447 /nfs/dbraw/zinc/23/14/47/1027231447.db2.gz HFGVQAYUYVVTSJ-JSGCOSHPSA-N 1 2 332.835 3.713 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076051582 1027231936 /nfs/dbraw/zinc/23/19/36/1027231936.db2.gz IAZXQITYEIQHLG-PBHICJAKSA-N 1 2 326.444 3.622 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076074752 1027234358 /nfs/dbraw/zinc/23/43/58/1027234358.db2.gz AXAJUDVTYSMYDA-DZGCQCFKSA-N 1 2 344.484 3.782 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)s1 ZINC000076073119 1027234603 /nfs/dbraw/zinc/23/46/03/1027234603.db2.gz UTMQDQGELVQTGT-MNOVXSKESA-N 1 2 338.864 3.775 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076074695 1027235602 /nfs/dbraw/zinc/23/56/02/1027235602.db2.gz BVPFJFXGUKPMKW-MSOLQXFVSA-N 1 2 340.471 3.739 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(NC4CC4)[nH+]cn3)CCO2)cc1 ZINC000665711570 1027258579 /nfs/dbraw/zinc/25/85/79/1027258579.db2.gz XCTNOXPXIUMYCJ-JKSUJKDBSA-N 1 2 328.391 3.522 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(NC4CC4)nc[nH+]3)CCO2)cc1 ZINC000665711570 1027258595 /nfs/dbraw/zinc/25/85/95/1027258595.db2.gz XCTNOXPXIUMYCJ-JKSUJKDBSA-N 1 2 328.391 3.522 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000531736044 1027260712 /nfs/dbraw/zinc/26/07/12/1027260712.db2.gz QDOLLDBNRPURHX-ZBFHGGJFSA-N 1 2 328.460 3.904 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127092230 1027270817 /nfs/dbraw/zinc/27/08/17/1027270817.db2.gz PUIHFQCTYOFQIP-QGZVFWFLSA-N 1 2 325.412 3.638 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)cn1 ZINC000342809560 1027274403 /nfs/dbraw/zinc/27/44/03/1027274403.db2.gz LEVFUIPPZZOVOS-AWEZNQCLSA-N 1 2 326.831 3.831 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000302779258 1027286133 /nfs/dbraw/zinc/28/61/33/1027286133.db2.gz HPHIRDCZLFGQSH-ZDUSSCGKSA-N 1 2 348.491 3.858 20 0 EHADLO Fc1ccc(SCCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302809725 1027304102 /nfs/dbraw/zinc/30/41/02/1027304102.db2.gz YJDPZFJSUKFFOB-UHFFFAOYSA-N 1 2 332.448 3.810 20 0 EHADLO Fc1ccc(SCCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302809725 1027304119 /nfs/dbraw/zinc/30/41/19/1027304119.db2.gz YJDPZFJSUKFFOB-UHFFFAOYSA-N 1 2 332.448 3.810 20 0 EHADLO Fc1cccc(CC2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000302808042 1027304525 /nfs/dbraw/zinc/30/45/25/1027304525.db2.gz XUKIDVFOHGLBEA-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO Fc1cccc(CC2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000302808042 1027304541 /nfs/dbraw/zinc/30/45/41/1027304541.db2.gz XUKIDVFOHGLBEA-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3OCC3CC3)[nH+]c12 ZINC000076932950 1027333923 /nfs/dbraw/zinc/33/39/23/1027333923.db2.gz MWYLWDQWTUWODL-UHFFFAOYSA-N 1 2 335.407 3.613 20 0 EHADLO CC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000302879550 1027340077 /nfs/dbraw/zinc/34/00/77/1027340077.db2.gz HAJOWVMDKHHNIZ-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000302879550 1027340092 /nfs/dbraw/zinc/34/00/92/1027340092.db2.gz HAJOWVMDKHHNIZ-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC=CC1 ZINC000076958274 1027368339 /nfs/dbraw/zinc/36/83/39/1027368339.db2.gz NKGJFNJPAXRBQJ-INIZCTEOSA-N 1 2 336.838 3.698 20 0 EHADLO COC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000453105424 1027369756 /nfs/dbraw/zinc/36/97/56/1027369756.db2.gz BTEPCKFMHAEJAT-CQDKDKBSSA-N 1 2 339.361 3.885 20 0 EHADLO Cc1ccncc1C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273340201 1027385496 /nfs/dbraw/zinc/38/54/96/1027385496.db2.gz VSSJBTGCYTZGFA-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO Fc1cccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c12 ZINC000077306230 1027390209 /nfs/dbraw/zinc/39/02/09/1027390209.db2.gz ZRXXBMGIDBLHMN-UHFFFAOYSA-N 1 2 337.402 3.766 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171322 1027404207 /nfs/dbraw/zinc/40/42/07/1027404207.db2.gz AMWBQEOXUGJWFG-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171322 1027404222 /nfs/dbraw/zinc/40/42/22/1027404222.db2.gz AMWBQEOXUGJWFG-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273416020 1027417562 /nfs/dbraw/zinc/41/75/62/1027417562.db2.gz JCFFNBDUHFNZET-CVEARBPZSA-N 1 2 333.407 3.513 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273416020 1027417572 /nfs/dbraw/zinc/41/75/72/1027417572.db2.gz JCFFNBDUHFNZET-CVEARBPZSA-N 1 2 333.407 3.513 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459303937 1027463279 /nfs/dbraw/zinc/46/32/79/1027463279.db2.gz OLUSELNCLHEIRX-UHFFFAOYSA-N 1 2 339.439 3.536 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459303937 1027463285 /nfs/dbraw/zinc/46/32/85/1027463285.db2.gz OLUSELNCLHEIRX-UHFFFAOYSA-N 1 2 339.439 3.536 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000273530547 1027478931 /nfs/dbraw/zinc/47/89/31/1027478931.db2.gz SRFYOXOMFDORID-HNNXBMFYSA-N 1 2 349.427 3.725 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000273539655 1027483600 /nfs/dbraw/zinc/48/36/00/1027483600.db2.gz DULWQSIPDILJRA-RYUDHWBXSA-N 1 2 346.500 3.822 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](Cc2ccccn2)C2CC2)cn1 ZINC000430058991 1027497327 /nfs/dbraw/zinc/49/73/27/1027497327.db2.gz HWJVJMHOFLXFFT-UHFFFAOYSA-N 1 2 346.434 3.712 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](Cc2ccccn2)C2CC2)cn1 ZINC000430058991 1027497337 /nfs/dbraw/zinc/49/73/37/1027497337.db2.gz HWJVJMHOFLXFFT-UHFFFAOYSA-N 1 2 346.434 3.712 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657585965 1027507524 /nfs/dbraw/zinc/50/75/24/1027507524.db2.gz DBFZPDMDJCLQAD-UHFFFAOYSA-N 1 2 341.329 3.734 20 0 EHADLO CC(C)(C)c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n[nH]1 ZINC000273734915 1027588563 /nfs/dbraw/zinc/58/85/63/1027588563.db2.gz LHYKNGIUNAEVBM-UHFFFAOYSA-N 1 2 348.410 3.669 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(OC)c1 ZINC000657612466 1027623675 /nfs/dbraw/zinc/62/36/75/1027623675.db2.gz MEKUFDMQWAQQLP-MRXNPFEDSA-N 1 2 332.469 3.508 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)C(C)C)cc(C)[nH+]1 ZINC000422219564 1027655581 /nfs/dbraw/zinc/65/55/81/1027655581.db2.gz ZXGPWJDRYKONAP-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO CC[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000420642155 1027664428 /nfs/dbraw/zinc/66/44/28/1027664428.db2.gz SMEIYUKUFWCERM-KBPBESRZSA-N 1 2 335.245 3.789 20 0 EHADLO CC[C@@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000420642158 1027664828 /nfs/dbraw/zinc/66/48/28/1027664828.db2.gz SMEIYUKUFWCERM-ZIAGYGMSSA-N 1 2 335.245 3.789 20 0 EHADLO C[N@H+](Cc1cc(Br)cs1)Cc1cnc(C2CC2)nc1 ZINC000459330942 1027671771 /nfs/dbraw/zinc/67/17/71/1027671771.db2.gz SIPBXZSNFPGQSQ-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO C[N@@H+](Cc1cc(Br)cs1)Cc1cnc(C2CC2)nc1 ZINC000459330942 1027671779 /nfs/dbraw/zinc/67/17/79/1027671779.db2.gz SIPBXZSNFPGQSQ-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000303906675 1027689382 /nfs/dbraw/zinc/68/93/82/1027689382.db2.gz MCHVKAVHTPKADE-CYBMUJFWSA-N 1 2 325.474 3.581 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000303906675 1027689392 /nfs/dbraw/zinc/68/93/92/1027689392.db2.gz MCHVKAVHTPKADE-CYBMUJFWSA-N 1 2 325.474 3.581 20 0 EHADLO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342858301 1027694992 /nfs/dbraw/zinc/69/49/92/1027694992.db2.gz XZZLRFLXNHZASC-GVDBMIGSSA-N 1 2 343.496 3.722 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459335578 1027699766 /nfs/dbraw/zinc/69/97/66/1027699766.db2.gz AUHZHEMGRKYUNZ-KRWDZBQOSA-N 1 2 343.862 3.743 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459335578 1027699768 /nfs/dbraw/zinc/69/97/68/1027699768.db2.gz AUHZHEMGRKYUNZ-KRWDZBQOSA-N 1 2 343.862 3.743 20 0 EHADLO CCOc1c(F)cc(NCc2cc[nH+]c(N)c2)cc1C(F)(F)F ZINC001167618426 1027742046 /nfs/dbraw/zinc/74/20/46/1027742046.db2.gz JHJAHSSFDANYHH-UHFFFAOYSA-N 1 2 329.297 3.833 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](COCC(C)C)c2ccco2)cc(C)[nH+]1 ZINC000420809351 1027746910 /nfs/dbraw/zinc/74/69/10/1027746910.db2.gz XZAMKHSIOPFANC-KRWDZBQOSA-N 1 2 345.443 3.505 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cscn1)CSC2 ZINC000657641516 1027747807 /nfs/dbraw/zinc/74/78/07/1027747807.db2.gz FGOJZXXCAJRVJH-CYBMUJFWSA-N 1 2 341.299 3.983 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cs1 ZINC000065963054 1027749106 /nfs/dbraw/zinc/74/91/06/1027749106.db2.gz PEMOAIQREUECFZ-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000503384600 1027754466 /nfs/dbraw/zinc/75/44/66/1027754466.db2.gz PNCSNVPIBWBZRD-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2ccc(F)cc2Cl)cc(C)[nH+]1 ZINC000420855738 1027800212 /nfs/dbraw/zinc/80/02/12/1027800212.db2.gz WWPOCTULTDXAII-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000503442572 1027802714 /nfs/dbraw/zinc/80/27/14/1027802714.db2.gz LGHMKKCTVLKGKC-HZPDHXFCSA-N 1 2 331.485 3.733 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2nccs2)o1 ZINC000533426388 1027852165 /nfs/dbraw/zinc/85/21/65/1027852165.db2.gz BAPNSIQVRRZOEU-CQSZACIVSA-N 1 2 333.457 3.854 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2nccs2)o1 ZINC000533426388 1027852187 /nfs/dbraw/zinc/85/21/87/1027852187.db2.gz BAPNSIQVRRZOEU-CQSZACIVSA-N 1 2 333.457 3.854 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883025 1027866123 /nfs/dbraw/zinc/86/61/23/1027866123.db2.gz WWNZCOWPESMJOD-SWLSCSKDSA-N 1 2 326.425 3.776 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883025 1027866147 /nfs/dbraw/zinc/86/61/47/1027866147.db2.gz WWNZCOWPESMJOD-SWLSCSKDSA-N 1 2 326.425 3.776 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](c2ncccc2C)C(C)C)cc(C)[nH+]1 ZINC000420918248 1027901216 /nfs/dbraw/zinc/90/12/16/1027901216.db2.gz PDXSJNLBSQQONW-QGZVFWFLSA-N 1 2 326.444 3.598 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)o1 ZINC000111202431 1027913021 /nfs/dbraw/zinc/91/30/21/1027913021.db2.gz UOPGFGBUEPSXSQ-NSHDSACASA-N 1 2 337.370 3.515 20 0 EHADLO O=C(Nc1cccc(Nc2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000132380769 1027917095 /nfs/dbraw/zinc/91/70/95/1027917095.db2.gz DQMSTFIHIUZYDU-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@@H](CC)O1 ZINC000420954527 1027921937 /nfs/dbraw/zinc/92/19/37/1027921937.db2.gz KCMORZFALALWKS-FVQBIDKESA-N 1 2 345.443 3.696 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000503597643 1027941471 /nfs/dbraw/zinc/94/14/71/1027941471.db2.gz IYEVZMBXCGYHFB-KVZIAJEVSA-N 1 2 343.854 3.960 20 0 EHADLO CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000105138034 1027943204 /nfs/dbraw/zinc/94/32/04/1027943204.db2.gz GLIYPLUILXHBHX-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)sc1C ZINC000347340151 1027959404 /nfs/dbraw/zinc/95/94/04/1027959404.db2.gz PJKVNWOWZLGKJC-CABCVRRESA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)sc1C ZINC000347340151 1027959414 /nfs/dbraw/zinc/95/94/14/1027959414.db2.gz PJKVNWOWZLGKJC-CABCVRRESA-N 1 2 334.510 3.761 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000420980317 1027960742 /nfs/dbraw/zinc/96/07/42/1027960742.db2.gz WLXYSFIGNQHASC-GOSISDBHSA-N 1 2 347.890 3.847 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1N(C)c1ccccc1)Cn1cc[nH+]c1 ZINC000153477425 1027979387 /nfs/dbraw/zinc/97/93/87/1027979387.db2.gz FRORXRIVUABWCZ-QGZVFWFLSA-N 1 2 348.450 3.717 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[C@H]2C)c(C)c1 ZINC000533526712 1028019811 /nfs/dbraw/zinc/01/98/11/1028019811.db2.gz XGJVBNDWCYLDOX-MNEFBYGVSA-N 1 2 340.471 3.729 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C)[nH+]1 ZINC000421042687 1028025855 /nfs/dbraw/zinc/02/58/55/1028025855.db2.gz ZIJQAMVELNFWKW-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353493774 1028027745 /nfs/dbraw/zinc/02/77/45/1028027745.db2.gz VNQMIJQOGYUXBU-HNNXBMFYSA-N 1 2 334.261 3.956 20 0 EHADLO COc1cc(OC)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000421045570 1028028798 /nfs/dbraw/zinc/02/87/98/1028028798.db2.gz VIQYZOUYUYSBJQ-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO Cc1cc(C)n(-c2cccc(NC(=O)NCc3cc(C)[nH+]c(C)c3)c2)n1 ZINC000421045724 1028030021 /nfs/dbraw/zinc/03/00/21/1028030021.db2.gz LQSJAIRMRAKMBJ-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000133431058 1028031316 /nfs/dbraw/zinc/03/13/16/1028031316.db2.gz FDKIGQNBHRFFBR-MRXNPFEDSA-N 1 2 343.858 3.773 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000133431058 1028031334 /nfs/dbraw/zinc/03/13/34/1028031334.db2.gz FDKIGQNBHRFFBR-MRXNPFEDSA-N 1 2 343.858 3.773 20 0 EHADLO Cc1cc(CNC(=O)Nc2c(C)cccc2OC(F)F)cc(C)[nH+]1 ZINC000421052599 1028038561 /nfs/dbraw/zinc/03/85/61/1028038561.db2.gz CKHDOTSMILEAEW-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000444604799 1028067806 /nfs/dbraw/zinc/06/78/06/1028067806.db2.gz BQXSMDVDINPDHA-UHFFFAOYSA-N 1 2 339.370 3.663 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052048587 1028078310 /nfs/dbraw/zinc/07/83/10/1028078310.db2.gz YWXUXPNLHQYNGT-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052048587 1028078329 /nfs/dbraw/zinc/07/83/29/1028078329.db2.gz YWXUXPNLHQYNGT-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO Cc1cc(CNC(=O)Nc2nc(CC(F)(F)F)cs2)cc(C)[nH+]1 ZINC000421118194 1028101198 /nfs/dbraw/zinc/10/11/98/1028101198.db2.gz VAVWBDWKPLTZFD-UHFFFAOYSA-N 1 2 344.362 3.581 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421118916 1028103647 /nfs/dbraw/zinc/10/36/47/1028103647.db2.gz KRNKKSQGXUPYHC-NSHDSACASA-N 1 2 326.322 3.531 20 0 EHADLO [NH3+][C@H](C(=O)Nc1cccc(OC2CCCC2)c1)c1c(F)cccc1F ZINC000422979925 1028108767 /nfs/dbraw/zinc/10/87/67/1028108767.db2.gz NWEWWMNCCPQNHS-SFHVURJKSA-N 1 2 346.377 3.925 20 0 EHADLO COc1ccc(OCCSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000523302064 1028123511 /nfs/dbraw/zinc/12/35/11/1028123511.db2.gz PYWVOZMBBNOIME-UHFFFAOYSA-N 1 2 328.437 3.964 20 0 EHADLO COc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c(Cl)c(OC)c1 ZINC000421163861 1028143447 /nfs/dbraw/zinc/14/34/47/1028143447.db2.gz WBSRGLIQYKBPOV-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1c1[nH+]cnc2c1cnn2C ZINC000509539121 1028148571 /nfs/dbraw/zinc/14/85/71/1028148571.db2.gz KECCEBIGHVGDCV-SECBINFHSA-N 1 2 348.237 3.794 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1C ZINC000548777964 1028158259 /nfs/dbraw/zinc/15/82/59/1028158259.db2.gz FVKYZNJSUUWZKM-HLLBOEOZSA-N 1 2 341.459 3.520 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1C ZINC000444689020 1028159213 /nfs/dbraw/zinc/15/92/13/1028159213.db2.gz DZDLRJUXTRYJTN-HIFRSBDPSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1C ZINC000444689020 1028159219 /nfs/dbraw/zinc/15/92/19/1028159219.db2.gz DZDLRJUXTRYJTN-HIFRSBDPSA-N 1 2 336.501 3.822 20 0 EHADLO O=C(CCCc1ccsc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000783389595 1028161576 /nfs/dbraw/zinc/16/15/76/1028161576.db2.gz HWNFMQOKZLJIDC-UHFFFAOYSA-N 1 2 343.496 3.773 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444692750 1028167445 /nfs/dbraw/zinc/16/74/45/1028167445.db2.gz NCCBILZROBEVER-MNOVXSKESA-N 1 2 334.769 3.941 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444692750 1028167454 /nfs/dbraw/zinc/16/74/54/1028167454.db2.gz NCCBILZROBEVER-MNOVXSKESA-N 1 2 334.769 3.941 20 0 EHADLO CCc1noc([C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)n1 ZINC000444695660 1028168994 /nfs/dbraw/zinc/16/89/94/1028168994.db2.gz SSMTUHUQGBDEKW-NSHDSACASA-N 1 2 338.249 3.896 20 0 EHADLO CCc1noc([C@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)n1 ZINC000444695660 1028169002 /nfs/dbraw/zinc/16/90/02/1028169002.db2.gz SSMTUHUQGBDEKW-NSHDSACASA-N 1 2 338.249 3.896 20 0 EHADLO C[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCc2ccccc2NC1=O ZINC000444703361 1028179311 /nfs/dbraw/zinc/17/93/11/1028179311.db2.gz SNTLEPCZLULAAH-KRWDZBQOSA-N 1 2 332.806 3.864 20 0 EHADLO C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCc2ccccc2NC1=O ZINC000444703361 1028179320 /nfs/dbraw/zinc/17/93/20/1028179320.db2.gz SNTLEPCZLULAAH-KRWDZBQOSA-N 1 2 332.806 3.864 20 0 EHADLO Clc1cccnc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421223271 1028207721 /nfs/dbraw/zinc/20/77/21/1028207721.db2.gz ITOHTSOYAPIJDB-UHFFFAOYSA-N 1 2 334.872 3.860 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090943758 1028221465 /nfs/dbraw/zinc/22/14/65/1028221465.db2.gz PMCKATDKWMGBCI-CQSZACIVSA-N 1 2 325.387 3.871 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)s1 ZINC000135931883 1028225718 /nfs/dbraw/zinc/22/57/18/1028225718.db2.gz UXHOYFAWUBNYSF-NSHDSACASA-N 1 2 344.465 3.578 20 0 EHADLO c1coc(-c2nnc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)o2)c1 ZINC000054338279 1028229025 /nfs/dbraw/zinc/22/90/25/1028229025.db2.gz GUOBBUSIOWUHGI-MRXNPFEDSA-N 1 2 339.395 3.511 20 0 EHADLO c1coc(-c2nnc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)o2)c1 ZINC000054338279 1028229041 /nfs/dbraw/zinc/22/90/41/1028229041.db2.gz GUOBBUSIOWUHGI-MRXNPFEDSA-N 1 2 339.395 3.511 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136244296 1028241871 /nfs/dbraw/zinc/24/18/71/1028241871.db2.gz TZCHJFPUYGGHTC-IAGOWNOFSA-N 1 2 334.508 3.743 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000055052808 1028257803 /nfs/dbraw/zinc/25/78/03/1028257803.db2.gz RABXQOXAAHFTPM-UHFFFAOYSA-N 1 2 326.318 3.677 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000055052808 1028257816 /nfs/dbraw/zinc/25/78/16/1028257816.db2.gz RABXQOXAAHFTPM-UHFFFAOYSA-N 1 2 326.318 3.677 20 0 EHADLO CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423202280 1028271276 /nfs/dbraw/zinc/27/12/76/1028271276.db2.gz QOVAAMYQJWNHPI-MRXNPFEDSA-N 1 2 346.377 3.832 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccnc(OC3CCC3)c2)c(C)[nH+]1 ZINC000455504294 1028278766 /nfs/dbraw/zinc/27/87/66/1028278766.db2.gz WHWIQFMCAACXKH-UHFFFAOYSA-N 1 2 340.427 3.655 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2cc(Br)ccc2C)nn1C ZINC000421348271 1028289660 /nfs/dbraw/zinc/28/96/60/1028289660.db2.gz ARUDTOWSVLQNRD-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000246371413 1028291899 /nfs/dbraw/zinc/29/18/99/1028291899.db2.gz RKRNAQAMCGERJK-TZMCWYRMSA-N 1 2 343.496 3.731 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000246371413 1028291911 /nfs/dbraw/zinc/29/19/11/1028291911.db2.gz RKRNAQAMCGERJK-TZMCWYRMSA-N 1 2 343.496 3.731 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccccc3OC(C)C)ccc2[nH+]1 ZINC000523425413 1028294625 /nfs/dbraw/zinc/29/46/25/1028294625.db2.gz QMDVVBJUPSWPHV-UHFFFAOYSA-N 1 2 338.411 3.752 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)cc1Cl ZINC000421354826 1028299048 /nfs/dbraw/zinc/29/90/48/1028299048.db2.gz IDEHJKCHZVTEHR-UHFFFAOYSA-N 1 2 328.243 3.724 20 0 EHADLO COCCN(C[C@H]1CC=CCC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455530932 1028305046 /nfs/dbraw/zinc/30/50/46/1028305046.db2.gz RQSZUDJPMCIGMD-KRWDZBQOSA-N 1 2 331.460 3.843 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(Br)cc2C)nn1C ZINC000421360667 1028312556 /nfs/dbraw/zinc/31/25/56/1028312556.db2.gz FIGWNYVOIWCNAD-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000056143819 1028313273 /nfs/dbraw/zinc/31/32/73/1028313273.db2.gz CDLXSKKUQJEQPW-NEPJUHHUSA-N 1 2 340.427 3.707 20 0 EHADLO C[C@H](c1nnc(SCCF)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000078924143 1028315863 /nfs/dbraw/zinc/31/58/63/1028315863.db2.gz PKFJOJRLWNTEOH-SNVBAGLBSA-N 1 2 328.844 3.605 20 0 EHADLO C[C@@H]([NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)c1cnnn1C ZINC000926439583 1028341421 /nfs/dbraw/zinc/34/14/21/1028341421.db2.gz JKZYMISUQGFWBJ-PSLIRLAXSA-N 1 2 325.243 3.924 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502555450 1028355039 /nfs/dbraw/zinc/35/50/39/1028355039.db2.gz XALVLUBGRJLRHR-HNNXBMFYSA-N 1 2 338.426 3.552 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2cccc(F)c2C1 ZINC000502555450 1028355056 /nfs/dbraw/zinc/35/50/56/1028355056.db2.gz XALVLUBGRJLRHR-HNNXBMFYSA-N 1 2 338.426 3.552 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000582968365 1028388405 /nfs/dbraw/zinc/38/84/05/1028388405.db2.gz PLVWFERFVMIXHH-FEVUJISASA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000582968365 1028388423 /nfs/dbraw/zinc/38/84/23/1028388423.db2.gz PLVWFERFVMIXHH-FEVUJISASA-N 1 2 345.430 3.950 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H](C)O1 ZINC000421438759 1028420699 /nfs/dbraw/zinc/42/06/99/1028420699.db2.gz VMGLGQOZJHIHGY-FSNPWBFUSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H](C)O1 ZINC000421438759 1028420709 /nfs/dbraw/zinc/42/07/09/1028420709.db2.gz VMGLGQOZJHIHGY-FSNPWBFUSA-N 1 2 342.483 3.671 20 0 EHADLO CC(C)N(CC1CCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000444975205 1028435210 /nfs/dbraw/zinc/43/52/10/1028435210.db2.gz KXZHSDXVAGTVCC-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1c(F)cccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000421475722 1028451101 /nfs/dbraw/zinc/45/11/01/1028451101.db2.gz UOPBDHMGWVIOOY-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1c(Cl)cccc1OC(F)F)C2 ZINC000897334301 1028473597 /nfs/dbraw/zinc/47/35/97/1028473597.db2.gz QPJAWBRLCLVQEM-UHFFFAOYSA-N 1 2 341.789 3.716 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1c(Cl)cccc1OC(F)F)C2 ZINC000897334301 1028473604 /nfs/dbraw/zinc/47/36/04/1028473604.db2.gz QPJAWBRLCLVQEM-UHFFFAOYSA-N 1 2 341.789 3.716 20 0 EHADLO COC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(Cl)cc1 ZINC000194075807 1028487498 /nfs/dbraw/zinc/48/74/98/1028487498.db2.gz DGTISUBQCDWCNV-HOTGVXAUSA-N 1 2 348.878 3.867 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1c(C)onc1CC ZINC000162244288 1028513441 /nfs/dbraw/zinc/51/34/41/1028513441.db2.gz CSOUZXPWIJXKGM-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1c(C)onc1CC ZINC000162244288 1028513454 /nfs/dbraw/zinc/51/34/54/1028513454.db2.gz CSOUZXPWIJXKGM-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475621986 1028530539 /nfs/dbraw/zinc/53/05/39/1028530539.db2.gz DWWKPXGJLZWRRV-PKOBYXMFSA-N 1 2 344.480 3.580 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475621986 1028530547 /nfs/dbraw/zinc/53/05/47/1028530547.db2.gz DWWKPXGJLZWRRV-PKOBYXMFSA-N 1 2 344.480 3.580 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475621984 1028531409 /nfs/dbraw/zinc/53/14/09/1028531409.db2.gz DWWKPXGJLZWRRV-IEBWSBKVSA-N 1 2 344.480 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@]2(CCOC2)O1 ZINC000475621984 1028531415 /nfs/dbraw/zinc/53/14/15/1028531415.db2.gz DWWKPXGJLZWRRV-IEBWSBKVSA-N 1 2 344.480 3.580 20 0 EHADLO c1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)co1 ZINC000236582513 1028551581 /nfs/dbraw/zinc/55/15/81/1028551581.db2.gz LQRVOQWUEJYOLK-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO Cc1cc(CNC(=O)CCc2ccc(Br)cc2)cc(C)[nH+]1 ZINC000421577626 1028571219 /nfs/dbraw/zinc/57/12/19/1028571219.db2.gz PQIWFZGUVJDSFE-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2F)cc(C)[nH+]1 ZINC000421577151 1028571851 /nfs/dbraw/zinc/57/18/51/1028571851.db2.gz NWGZCCORSHGKEV-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1cc(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000421577400 1028572835 /nfs/dbraw/zinc/57/28/35/1028572835.db2.gz FONFMGIVHLMWNR-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1cccc(Cl)c1 ZINC000195073736 1028576080 /nfs/dbraw/zinc/57/60/80/1028576080.db2.gz FSQYSMYRHBFYNS-SUMWQHHRSA-N 1 2 342.830 3.605 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000583034469 1028595701 /nfs/dbraw/zinc/59/57/01/1028595701.db2.gz NORBELMHQWFORZ-BEFAXECRSA-N 1 2 345.462 3.843 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000583034469 1028595707 /nfs/dbraw/zinc/59/57/07/1028595707.db2.gz NORBELMHQWFORZ-BEFAXECRSA-N 1 2 345.462 3.843 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000195513913 1028634920 /nfs/dbraw/zinc/63/49/20/1028634920.db2.gz ONQFFCSPORHBSH-NRFANRHFSA-N 1 2 332.451 3.802 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000195513912 1028635091 /nfs/dbraw/zinc/63/50/91/1028635091.db2.gz ONQFFCSPORHBSH-OAQYLSRUSA-N 1 2 332.451 3.802 20 0 EHADLO CN(CC1=CCCOC1)c1cc[nH+]c2c(Br)cccc12 ZINC000664365922 1028635924 /nfs/dbraw/zinc/63/59/24/1028635924.db2.gz SCUTUWUCYGXIJD-UHFFFAOYSA-N 1 2 333.229 3.780 20 0 EHADLO CC1(C)C[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000504422011 1028638212 /nfs/dbraw/zinc/63/82/12/1028638212.db2.gz NYXUGWDVFSSNCD-SWLSCSKDSA-N 1 2 338.854 3.778 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[nH+]1 ZINC000075075733 1028640252 /nfs/dbraw/zinc/64/02/52/1028640252.db2.gz PVCZQKLNXSBTMC-VIFPVBQESA-N 1 2 347.831 3.924 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459381035 1028655716 /nfs/dbraw/zinc/65/57/16/1028655716.db2.gz BZQWMHUWVKPATD-UHFFFAOYSA-N 1 2 338.864 3.550 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000523853859 1028661884 /nfs/dbraw/zinc/66/18/84/1028661884.db2.gz XXIFUFLUCLQIAG-CQSZACIVSA-N 1 2 335.517 3.922 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000523853859 1028661897 /nfs/dbraw/zinc/66/18/97/1028661897.db2.gz XXIFUFLUCLQIAG-CQSZACIVSA-N 1 2 335.517 3.922 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000523905726 1028710023 /nfs/dbraw/zinc/71/00/23/1028710023.db2.gz VEYHCDJSQACBQH-QGZVFWFLSA-N 1 2 344.459 3.513 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000509673444 1028716256 /nfs/dbraw/zinc/71/62/56/1028716256.db2.gz ONYREKIVNSWWAM-IERDGZPVSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000509673444 1028716268 /nfs/dbraw/zinc/71/62/68/1028716268.db2.gz ONYREKIVNSWWAM-IERDGZPVSA-N 1 2 339.435 3.730 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1SCCc2ccccc21 ZINC000079450664 1028731968 /nfs/dbraw/zinc/73/19/68/1028731968.db2.gz VKCNGHFVHHPKKH-SFHVURJKSA-N 1 2 335.432 3.841 20 0 EHADLO Brc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cs1 ZINC000414550142 1028756020 /nfs/dbraw/zinc/75/60/20/1028756020.db2.gz CFKZKGCYZHETJY-UHFFFAOYSA-N 1 2 330.276 3.529 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000524013893 1028777426 /nfs/dbraw/zinc/77/74/26/1028777426.db2.gz BHXRNYHWRQTZDM-CYBMUJFWSA-N 1 2 343.377 3.683 20 0 EHADLO CCCCc1nc(COc2cc(C)[nH+]c3ccc(OC)cc32)no1 ZINC000502867012 1028779877 /nfs/dbraw/zinc/77/98/77/1028779877.db2.gz JHDIHGQXQDEGPS-UHFFFAOYSA-N 1 2 327.384 3.856 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000247368475 1028781728 /nfs/dbraw/zinc/78/17/28/1028781728.db2.gz HPDKGOFJUITNMS-IIAWOOMASA-N 1 2 334.489 3.520 20 0 EHADLO Cc1cccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000532740943 1028782754 /nfs/dbraw/zinc/78/27/54/1028782754.db2.gz WISKDCJGZAHKOR-NRFANRHFSA-N 1 2 347.462 3.909 20 0 EHADLO CC(C)c1ccc(O[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000583088226 1028787614 /nfs/dbraw/zinc/78/76/14/1028787614.db2.gz XOQDSRXHFFSCBK-HZPDHXFCSA-N 1 2 329.444 3.541 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000502893691 1028790545 /nfs/dbraw/zinc/79/05/45/1028790545.db2.gz RXFVPKBCBZINIF-INIZCTEOSA-N 1 2 341.352 3.818 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000502893691 1028790557 /nfs/dbraw/zinc/79/05/57/1028790557.db2.gz RXFVPKBCBZINIF-INIZCTEOSA-N 1 2 341.352 3.818 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000532753958 1028796700 /nfs/dbraw/zinc/79/67/00/1028796700.db2.gz RDSNCFHQHQJUQD-UHFFFAOYSA-N 1 2 336.435 3.707 20 0 EHADLO C[C@H]1CC[N@H+](CCCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247689373 1028808957 /nfs/dbraw/zinc/80/89/57/1028808957.db2.gz VQNPZINVCMJXSG-FUHWJXTLSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@H]1CC[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247689373 1028808980 /nfs/dbraw/zinc/80/89/80/1028808980.db2.gz VQNPZINVCMJXSG-FUHWJXTLSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000247697699 1028811625 /nfs/dbraw/zinc/81/16/25/1028811625.db2.gz UDZVCGCCFNUAGN-SYNNKVJXSA-N 1 2 349.478 3.587 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccncc1Cl ZINC000421852402 1028842834 /nfs/dbraw/zinc/84/28/34/1028842834.db2.gz ICZSYYWOJAEJAJ-LKFCYVNXSA-N 1 2 329.202 3.912 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1F ZINC000445487254 1028849233 /nfs/dbraw/zinc/84/92/33/1028849233.db2.gz RYWSKDWPYXHMNP-QHCPKHFHSA-N 1 2 332.375 3.517 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(F)c1 ZINC000424185848 1028874572 /nfs/dbraw/zinc/87/45/72/1028874572.db2.gz GJUQDHSIKWKZRC-UHFFFAOYSA-N 1 2 346.299 3.899 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000583122385 1028903023 /nfs/dbraw/zinc/90/30/23/1028903023.db2.gz XLYOQNOJZUUWAP-OAHLLOKOSA-N 1 2 339.439 3.796 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)Cc1cccc(F)c1 ZINC000445542616 1028903818 /nfs/dbraw/zinc/90/38/18/1028903818.db2.gz VHUDCJIFGGQJTQ-HSZRJFAPSA-N 1 2 328.412 3.519 20 0 EHADLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC ZINC000048198605 1028929611 /nfs/dbraw/zinc/92/96/11/1028929611.db2.gz CUVWLFLCIAJTCD-SFHVURJKSA-N 1 2 335.407 3.762 20 0 EHADLO C[C@H]1C[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000248575109 1028944327 /nfs/dbraw/zinc/94/43/27/1028944327.db2.gz PBDOQDGNBTVYGR-MNZLEMJZSA-N 1 2 325.456 3.620 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(c3ccsc3)CC2)c[nH+]1 ZINC000455577034 1028969066 /nfs/dbraw/zinc/96/90/66/1028969066.db2.gz SZZZSSYSXCTESI-UHFFFAOYSA-N 1 2 329.469 3.849 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3ccc(Cl)cc32)s1 ZINC000424323247 1028969910 /nfs/dbraw/zinc/96/99/10/1028969910.db2.gz IVEPERYBZVIIRJ-ZANVPECISA-N 1 2 336.844 3.921 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCCc1ccccc1 ZINC000532872975 1028983784 /nfs/dbraw/zinc/98/37/84/1028983784.db2.gz NHJSZPGUCKGNNV-KBPBESRZSA-N 1 2 348.849 3.877 20 0 EHADLO OCCCN(Cc1ccccn1)c1cc[nH+]c2c(Cl)cccc12 ZINC000343075919 1028988033 /nfs/dbraw/zinc/98/80/33/1028988033.db2.gz WZNOWXCAQHADMS-UHFFFAOYSA-N 1 2 327.815 3.672 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000248004696 1028993222 /nfs/dbraw/zinc/99/32/22/1028993222.db2.gz AEOMJNCSLSONRR-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000248004696 1028993229 /nfs/dbraw/zinc/99/32/29/1028993229.db2.gz AEOMJNCSLSONRR-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000503051224 1028997860 /nfs/dbraw/zinc/99/78/60/1028997860.db2.gz WSPQDUFGHCGJAO-IBGZPJMESA-N 1 2 333.378 3.919 20 0 EHADLO COc1c(O)cccc1C[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000503051224 1028997882 /nfs/dbraw/zinc/99/78/82/1028997882.db2.gz WSPQDUFGHCGJAO-IBGZPJMESA-N 1 2 333.378 3.919 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076513546 1029008410 /nfs/dbraw/zinc/00/84/10/1029008410.db2.gz PVCXBHOEWHJCOH-QGZVFWFLSA-N 1 2 349.409 3.716 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000504874070 1029008447 /nfs/dbraw/zinc/00/84/47/1029008447.db2.gz BXGHTVVTAVGART-BDXSIMOUSA-N 1 2 343.515 3.875 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cnc3cc(F)c(F)cc3n2)c1C ZINC000524236420 1029014424 /nfs/dbraw/zinc/01/44/24/1029014424.db2.gz LWMCPZXHBAVUCH-UHFFFAOYSA-N 1 2 344.365 3.565 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343081392 1029029020 /nfs/dbraw/zinc/02/90/20/1029029020.db2.gz BBIPOAPNUHRMMK-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000123807909 1029035309 /nfs/dbraw/zinc/03/53/09/1029035309.db2.gz CHYWKGPEVRBYAB-FHLIZLRMSA-N 1 2 329.419 3.626 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000076716399 1029036189 /nfs/dbraw/zinc/03/61/89/1029036189.db2.gz NLMUOIYOKMWQNT-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000076716399 1029036205 /nfs/dbraw/zinc/03/62/05/1029036205.db2.gz NLMUOIYOKMWQNT-CZUORRHYSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000076730763 1029039814 /nfs/dbraw/zinc/03/98/14/1029039814.db2.gz DRFVSNKQBQSKSI-ZDUSSCGKSA-N 1 2 333.407 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000076730763 1029039833 /nfs/dbraw/zinc/03/98/33/1029039833.db2.gz DRFVSNKQBQSKSI-ZDUSSCGKSA-N 1 2 333.407 3.513 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(F)cc1Cl ZINC000076756314 1029042702 /nfs/dbraw/zinc/04/27/02/1029042702.db2.gz QZLSXPFTBNFVOX-OAHLLOKOSA-N 1 2 347.821 3.604 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(F)cc1Cl ZINC000076756314 1029042717 /nfs/dbraw/zinc/04/27/17/1029042717.db2.gz QZLSXPFTBNFVOX-OAHLLOKOSA-N 1 2 347.821 3.604 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3c2cccc3Br)n1 ZINC000393324286 1029061828 /nfs/dbraw/zinc/06/18/28/1029061828.db2.gz UXOCBCPZSAUJLK-CYBMUJFWSA-N 1 2 340.652 3.613 20 0 EHADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569515 1029070778 /nfs/dbraw/zinc/07/07/78/1029070778.db2.gz IMHDMCMHXYPGBA-DTWKUNHWSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569515 1029070795 /nfs/dbraw/zinc/07/07/95/1029070795.db2.gz IMHDMCMHXYPGBA-DTWKUNHWSA-N 1 2 338.698 3.757 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000504986716 1029105256 /nfs/dbraw/zinc/10/52/56/1029105256.db2.gz YZYXMZMKYULGSO-QGZVFWFLSA-N 1 2 342.508 3.976 20 0 EHADLO Cc1ccc(SCC[N@H+]2CCOC[C@@H]2c2cccn2C)cc1C ZINC000445782165 1029121790 /nfs/dbraw/zinc/12/17/90/1029121790.db2.gz MWPXVNVTGDTQLP-LJQANCHMSA-N 1 2 330.497 3.808 20 0 EHADLO Cc1ccc(SCC[N@@H+]2CCOC[C@@H]2c2cccn2C)cc1C ZINC000445782165 1029121802 /nfs/dbraw/zinc/12/18/02/1029121802.db2.gz MWPXVNVTGDTQLP-LJQANCHMSA-N 1 2 330.497 3.808 20 0 EHADLO CSCc1cc(F)ccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454636886 1029130691 /nfs/dbraw/zinc/13/06/91/1029130691.db2.gz BYEPRAMLLYYZIK-UHFFFAOYSA-N 1 2 347.459 3.700 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cncn3Cc3ccccc3)CCC2)n1 ZINC000445771711 1029133351 /nfs/dbraw/zinc/13/33/51/1029133351.db2.gz DIGLFBWWNCGDOR-UHFFFAOYSA-N 1 2 338.480 3.865 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434168953 1029140369 /nfs/dbraw/zinc/14/03/69/1029140369.db2.gz XHZRAMLOMXNVNF-CGTJXYLNSA-N 1 2 331.460 3.603 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000271754220 1029154428 /nfs/dbraw/zinc/15/44/28/1029154428.db2.gz WUCOHWZEJMJGGF-SFHVURJKSA-N 1 2 331.423 3.558 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000271754220 1029154438 /nfs/dbraw/zinc/15/44/38/1029154438.db2.gz WUCOHWZEJMJGGF-SFHVURJKSA-N 1 2 331.423 3.558 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000524414906 1029165390 /nfs/dbraw/zinc/16/53/90/1029165390.db2.gz FPPCOUSXWZCPLJ-WMZOPIPTSA-N 1 2 325.456 3.878 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000271779864 1029168140 /nfs/dbraw/zinc/16/81/40/1029168140.db2.gz OZPKWXJTZQBELG-JTQLQIEISA-N 1 2 325.311 3.518 20 0 EHADLO Brc1ccc(C2([NH2+]Cc3csnn3)CCCC2)cc1 ZINC000271844056 1029195342 /nfs/dbraw/zinc/19/53/42/1029195342.db2.gz HFOHAVFXQHRYQE-UHFFFAOYSA-N 1 2 338.274 3.860 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000533066176 1029236278 /nfs/dbraw/zinc/23/62/78/1029236278.db2.gz RFZFJEZMFVVMDE-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000533066176 1029236288 /nfs/dbraw/zinc/23/62/88/1029236288.db2.gz RFZFJEZMFVVMDE-SFHVURJKSA-N 1 2 336.439 3.704 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCC2=CCCCC2)c1)[NH+]1CCOCC1 ZINC000454732182 1029245228 /nfs/dbraw/zinc/24/52/28/1029245228.db2.gz GDEXJEOLKBBBLX-MRXNPFEDSA-N 1 2 343.471 3.702 20 0 EHADLO CSCc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000343114811 1029264725 /nfs/dbraw/zinc/26/47/25/1029264725.db2.gz BZBIZLYQIPBONI-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H](CO)c1ccccc1 ZINC000343117448 1029288003 /nfs/dbraw/zinc/28/80/03/1029288003.db2.gz MTBFUJKMERZRAH-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H](CO)c1ccccc1 ZINC000343117448 1029288017 /nfs/dbraw/zinc/28/80/17/1029288017.db2.gz MTBFUJKMERZRAH-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000533089626 1029316275 /nfs/dbraw/zinc/31/62/75/1029316275.db2.gz ULSKAJWZCTUBIF-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255694034 1029372105 /nfs/dbraw/zinc/37/21/05/1029372105.db2.gz MMFDLQGKJWUKSV-JSGCOSHPSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255694034 1029372118 /nfs/dbraw/zinc/37/21/18/1029372118.db2.gz MMFDLQGKJWUKSV-JSGCOSHPSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@H]1CCCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000424852256 1029386985 /nfs/dbraw/zinc/38/69/85/1029386985.db2.gz KUXBBYBSKUDOAW-YJBOKZPZSA-N 1 2 329.488 3.752 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000272307739 1029409238 /nfs/dbraw/zinc/40/92/38/1029409238.db2.gz RBMYUQZPRYNDQT-FZKQIMNGSA-N 1 2 346.858 3.552 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)sc1C ZINC000257365145 1029413068 /nfs/dbraw/zinc/41/30/68/1029413068.db2.gz GBXJXPIDZLMJJE-FFSVYQOJSA-N 1 2 329.469 3.780 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)sc1C ZINC000257365145 1029413078 /nfs/dbraw/zinc/41/30/78/1029413078.db2.gz GBXJXPIDZLMJJE-FFSVYQOJSA-N 1 2 329.469 3.780 20 0 EHADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000611757888 1029460124 /nfs/dbraw/zinc/46/01/24/1029460124.db2.gz NRXYVOZPGKGZQP-JCHJZTRSSA-N 1 2 337.467 3.566 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000524754494 1029470932 /nfs/dbraw/zinc/47/09/32/1029470932.db2.gz XXNGVVHILRWEMQ-GOSISDBHSA-N 1 2 346.471 3.903 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000524754494 1029470940 /nfs/dbraw/zinc/47/09/40/1029470940.db2.gz XXNGVVHILRWEMQ-GOSISDBHSA-N 1 2 346.471 3.903 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000533241992 1029500820 /nfs/dbraw/zinc/50/08/20/1029500820.db2.gz XSBFAAVBFKSVIE-CVEARBPZSA-N 1 2 328.431 3.832 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000533241992 1029500831 /nfs/dbraw/zinc/50/08/31/1029500831.db2.gz XSBFAAVBFKSVIE-CVEARBPZSA-N 1 2 328.431 3.832 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)N3CCCCCC3)cc2)[nH+]c1C ZINC000583274061 1029515492 /nfs/dbraw/zinc/51/54/92/1029515492.db2.gz LIOLBMOCJYECFF-UHFFFAOYSA-N 1 2 326.444 3.655 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000434234541 1029522079 /nfs/dbraw/zinc/52/20/79/1029522079.db2.gz QTVMRTOGMJKPKY-CYBMUJFWSA-N 1 2 347.459 3.686 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000434234541 1029522085 /nfs/dbraw/zinc/52/20/85/1029522085.db2.gz QTVMRTOGMJKPKY-CYBMUJFWSA-N 1 2 347.459 3.686 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CCC[C@H]3C(C)C)s2)cc1 ZINC000272599653 1029527182 /nfs/dbraw/zinc/52/71/82/1029527182.db2.gz ONQDECPKRPWHFO-HNNXBMFYSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CCC[C@H]3C(C)C)s2)cc1 ZINC000272599653 1029527193 /nfs/dbraw/zinc/52/71/93/1029527193.db2.gz ONQDECPKRPWHFO-HNNXBMFYSA-N 1 2 344.484 3.719 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1c1ccccc1 ZINC000524811221 1029529074 /nfs/dbraw/zinc/52/90/74/1029529074.db2.gz FDHLNXPUAHSCRK-SFHVURJKSA-N 1 2 326.827 3.504 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1c1ccccc1 ZINC000524811221 1029529083 /nfs/dbraw/zinc/52/90/83/1029529083.db2.gz FDHLNXPUAHSCRK-SFHVURJKSA-N 1 2 326.827 3.504 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000533252326 1029530146 /nfs/dbraw/zinc/53/01/46/1029530146.db2.gz NJUSBPHTZSEVLZ-JLTOFOAXSA-N 1 2 344.455 3.546 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000533252326 1029530159 /nfs/dbraw/zinc/53/01/59/1029530159.db2.gz NJUSBPHTZSEVLZ-JLTOFOAXSA-N 1 2 344.455 3.546 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000533251483 1029530787 /nfs/dbraw/zinc/53/07/87/1029530787.db2.gz AMSFZMXSCLUZKX-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000533251483 1029530797 /nfs/dbraw/zinc/53/07/97/1029530797.db2.gz AMSFZMXSCLUZKX-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272671394 1029558832 /nfs/dbraw/zinc/55/88/32/1029558832.db2.gz QGLNFMGIMLKJNI-HNNXBMFYSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272671394 1029558841 /nfs/dbraw/zinc/55/88/41/1029558841.db2.gz QGLNFMGIMLKJNI-HNNXBMFYSA-N 1 2 341.436 3.680 20 0 EHADLO C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000343162732 1029561412 /nfs/dbraw/zinc/56/14/12/1029561412.db2.gz RCOIGJIYAIAJST-JXFKEZNVSA-N 1 2 331.419 3.765 20 0 EHADLO Nc1ncc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)s1 ZINC000262110923 1029562449 /nfs/dbraw/zinc/56/24/49/1029562449.db2.gz WIYNIRFOSZCFAO-CYBMUJFWSA-N 1 2 333.848 3.592 20 0 EHADLO Nc1ncc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)s1 ZINC000262110923 1029562457 /nfs/dbraw/zinc/56/24/57/1029562457.db2.gz WIYNIRFOSZCFAO-CYBMUJFWSA-N 1 2 333.848 3.592 20 0 EHADLO C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc21 ZINC000079103440 1029563311 /nfs/dbraw/zinc/56/33/11/1029563311.db2.gz IYYMZDIXKHJDGY-HNNXBMFYSA-N 1 2 336.439 3.515 20 0 EHADLO C[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCOC1 ZINC000272683909 1029565351 /nfs/dbraw/zinc/56/53/51/1029565351.db2.gz ZWIBMWXQTMFKTB-HXUWFJFHSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1ncc([C@@H](C)[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000637955797 1029565930 /nfs/dbraw/zinc/56/59/30/1029565930.db2.gz QJNWLAQNCPMVNV-AUUYWEPGSA-N 1 2 335.455 3.878 20 0 EHADLO Cc1ncc([C@@H](C)[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000637955797 1029565938 /nfs/dbraw/zinc/56/59/38/1029565938.db2.gz QJNWLAQNCPMVNV-AUUYWEPGSA-N 1 2 335.455 3.878 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000583292602 1029578627 /nfs/dbraw/zinc/57/86/27/1029578627.db2.gz RVKNWJSTWUGNLS-FQEVSTJZSA-N 1 2 334.423 3.838 20 0 EHADLO CSc1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155828922 1029669618 /nfs/dbraw/zinc/66/96/18/1029669618.db2.gz YHHFLHBENBLXTM-CQSZACIVSA-N 1 2 342.468 3.594 20 0 EHADLO CCCOc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)cc1 ZINC000648601953 1029679783 /nfs/dbraw/zinc/67/97/83/1029679783.db2.gz GSADDGVMGYYGQS-UHFFFAOYSA-N 1 2 336.439 3.613 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)o1 ZINC000583349827 1029690212 /nfs/dbraw/zinc/69/02/12/1029690212.db2.gz XQOUOZUGDKPLQH-UHFFFAOYSA-N 1 2 349.255 3.653 20 0 EHADLO Cc1ccc(-c2ncccc2NC(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000446567376 1029690487 /nfs/dbraw/zinc/69/04/87/1029690487.db2.gz XMZYYSQIZUSIPL-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)[nH+]1 ZINC000544414182 1029692886 /nfs/dbraw/zinc/69/28/86/1029692886.db2.gz TYPKNUYLMVFUSY-HOCLYGCPSA-N 1 2 326.375 3.738 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1Cl ZINC000079741561 1029700134 /nfs/dbraw/zinc/70/01/34/1029700134.db2.gz VIDASOIUXZHHEC-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(F)c2Cl)c1C ZINC000079811033 1029727089 /nfs/dbraw/zinc/72/70/89/1029727089.db2.gz CFALVALDRQILHY-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCCO3)CCO2)cc1Cl ZINC000347399919 1029729105 /nfs/dbraw/zinc/72/91/05/1029729105.db2.gz LYODTBJNVHFUBJ-PBHICJAKSA-N 1 2 327.827 3.812 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCCO3)CCO2)cc1Cl ZINC000347399919 1029729112 /nfs/dbraw/zinc/72/91/12/1029729112.db2.gz LYODTBJNVHFUBJ-PBHICJAKSA-N 1 2 327.827 3.812 20 0 EHADLO CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000446698944 1029761200 /nfs/dbraw/zinc/76/12/00/1029761200.db2.gz XRPLUUHRESLLLN-UHFFFAOYSA-N 1 2 348.406 3.573 20 0 EHADLO COc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211579870 1029795067 /nfs/dbraw/zinc/79/50/67/1029795067.db2.gz KVETWJGDGHBRBM-AWEZNQCLSA-N 1 2 345.349 3.611 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000080322585 1029795353 /nfs/dbraw/zinc/79/53/53/1029795353.db2.gz KRQBLTODHNEFDA-HXUWFJFHSA-N 1 2 333.435 3.928 20 0 EHADLO CCO[C@H]1C[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC000583424430 1029806714 /nfs/dbraw/zinc/80/67/14/1029806714.db2.gz SQSNNIYSUNMILL-CVEARBPZSA-N 1 2 331.460 3.818 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000525371224 1029807001 /nfs/dbraw/zinc/80/70/01/1029807001.db2.gz LLUSUQAMFSNMOL-LJQANCHMSA-N 1 2 339.483 3.708 20 0 EHADLO FC(F)(F)[C@H]1C[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000287563224 1029826242 /nfs/dbraw/zinc/82/62/42/1029826242.db2.gz GGZFABBJJAMFEK-GXTWGEPZSA-N 1 2 329.366 3.594 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001211581087 1029827639 /nfs/dbraw/zinc/82/76/39/1029827639.db2.gz YNSNORDFNSTYGY-SECBINFHSA-N 1 2 334.153 3.756 20 0 EHADLO Cc1cc([C@H](C)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C ZINC000548793947 1029839815 /nfs/dbraw/zinc/83/98/15/1029839815.db2.gz KJPFCUZBNBTYJK-HNAYVOBHSA-N 1 2 346.906 3.870 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H](C)O[C@H](CC)C1 ZINC000525460109 1029857837 /nfs/dbraw/zinc/85/78/37/1029857837.db2.gz LMBNXSPNNGKHQD-HUUCEWRRSA-N 1 2 342.439 3.724 20 0 EHADLO C[C@H]([NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000446940543 1029860895 /nfs/dbraw/zinc/86/08/95/1029860895.db2.gz VKALXTLNEIXYRX-AXMJJZENSA-N 1 2 339.464 3.587 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@@](=O)C1 ZINC000446974757 1029870312 /nfs/dbraw/zinc/87/03/12/1029870312.db2.gz LNEYFAJTWMRFJF-OYLFLEFRSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@@](=O)C1 ZINC000446974757 1029870317 /nfs/dbraw/zinc/87/03/17/1029870317.db2.gz LNEYFAJTWMRFJF-OYLFLEFRSA-N 1 2 347.455 3.818 20 0 EHADLO Cn1cc(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c2ccccc21 ZINC000162780856 1029872205 /nfs/dbraw/zinc/87/22/05/1029872205.db2.gz FHCYVCWTNCKPEZ-UHFFFAOYSA-N 1 2 330.391 3.750 20 0 EHADLO CC(C)(C)[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000278266238 1029872682 /nfs/dbraw/zinc/87/26/82/1029872682.db2.gz NYLSNCXZLGHVAL-INIZCTEOSA-N 1 2 326.444 3.633 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156604936 1029888260 /nfs/dbraw/zinc/88/82/60/1029888260.db2.gz QIUAZNDFKAVZOR-KBXCAEBGSA-N 1 2 344.842 3.594 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156605055 1029888294 /nfs/dbraw/zinc/88/82/94/1029888294.db2.gz QIUAZNDFKAVZOR-RDTXWAMCSA-N 1 2 344.842 3.594 20 0 EHADLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cn1 ZINC000428464063 1029890860 /nfs/dbraw/zinc/89/08/60/1029890860.db2.gz SMDWEABAGHPZGF-OAHLLOKOSA-N 1 2 330.863 3.630 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cn1 ZINC000447096374 1029935795 /nfs/dbraw/zinc/93/57/95/1029935795.db2.gz HXNAQJJRDKFUKC-UHFFFAOYSA-N 1 2 329.492 3.579 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cn1 ZINC000447096374 1029935810 /nfs/dbraw/zinc/93/58/10/1029935810.db2.gz HXNAQJJRDKFUKC-UHFFFAOYSA-N 1 2 329.492 3.579 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531869059 1029944618 /nfs/dbraw/zinc/94/46/18/1029944618.db2.gz YMJNSEYAIBHKFA-AWEZNQCLSA-N 1 2 349.276 3.570 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531869059 1029944624 /nfs/dbraw/zinc/94/46/24/1029944624.db2.gz YMJNSEYAIBHKFA-AWEZNQCLSA-N 1 2 349.276 3.570 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000537629586 1029963853 /nfs/dbraw/zinc/96/38/53/1029963853.db2.gz PNOAFGPVFNJFBS-AWEZNQCLSA-N 1 2 337.485 3.640 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000537629586 1029963859 /nfs/dbraw/zinc/96/38/59/1029963859.db2.gz PNOAFGPVFNJFBS-AWEZNQCLSA-N 1 2 337.485 3.640 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000120449269 1029999634 /nfs/dbraw/zinc/99/96/34/1029999634.db2.gz GQRHAJITAFZCCR-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cccc(O)c2)sc1Br ZINC000453272509 1030054381 /nfs/dbraw/zinc/05/43/81/1030054381.db2.gz VIKBNWGPLPQUFK-MRVPVSSYSA-N 1 2 327.247 3.770 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000090004530 1030059407 /nfs/dbraw/zinc/05/94/07/1030059407.db2.gz RCFAKSHXYNMBMK-AWEZNQCLSA-N 1 2 342.468 3.591 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000090004530 1030059423 /nfs/dbraw/zinc/05/94/23/1030059423.db2.gz RCFAKSHXYNMBMK-AWEZNQCLSA-N 1 2 342.468 3.591 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cc2c(s1)CCC2 ZINC000453303441 1030069256 /nfs/dbraw/zinc/06/92/56/1030069256.db2.gz CCAIQCOBMOVQFM-SECBINFHSA-N 1 2 340.290 3.584 20 0 EHADLO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453303088 1030070121 /nfs/dbraw/zinc/07/01/21/1030070121.db2.gz BELPSGIMEXDNDP-OAHLLOKOSA-N 1 2 348.288 3.967 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cc2c(s1)CCC2 ZINC000453303442 1030070923 /nfs/dbraw/zinc/07/09/23/1030070923.db2.gz CCAIQCOBMOVQFM-VIFPVBQESA-N 1 2 340.290 3.584 20 0 EHADLO c1cn(-c2ccc(CSCc3noc(C4CCC4)n3)cc2)c[nH+]1 ZINC000600628067 1030081294 /nfs/dbraw/zinc/08/12/94/1030081294.db2.gz UUMNVWFHFDGBGQ-UHFFFAOYSA-N 1 2 326.425 3.956 20 0 EHADLO Cc1nc(C)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)s1 ZINC000531942434 1030109287 /nfs/dbraw/zinc/10/92/87/1030109287.db2.gz QBAAFORQMCHHNP-XJKSGUPXSA-N 1 2 326.469 3.934 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000481918258 1030119166 /nfs/dbraw/zinc/11/91/66/1030119166.db2.gz FBEYDWSVWVBYME-MRXNPFEDSA-N 1 2 343.446 3.720 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453342993 1030128625 /nfs/dbraw/zinc/12/86/25/1030128625.db2.gz IIWOWUPKKBHJNT-QWHCGFSZSA-N 1 2 344.850 3.549 20 0 EHADLO CCc1ncc(C[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)o1 ZINC000453360311 1030157314 /nfs/dbraw/zinc/15/73/14/1030157314.db2.gz FDWBVAUHUCMPNO-IBGZPJMESA-N 1 2 325.387 3.959 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cs1 ZINC000453362165 1030176544 /nfs/dbraw/zinc/17/65/44/1030176544.db2.gz UOKHZXRHPTVBOG-GJZGRUSLSA-N 1 2 345.512 3.665 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000583576211 1030182390 /nfs/dbraw/zinc/18/23/90/1030182390.db2.gz HVKFRYXVYWQJEA-UHFFFAOYSA-N 1 2 335.373 3.571 20 0 EHADLO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000453412077 1030227156 /nfs/dbraw/zinc/22/71/56/1030227156.db2.gz XPESIYBYXYICEN-ACJLOTCBSA-N 1 2 346.450 3.795 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000532010506 1030233545 /nfs/dbraw/zinc/23/35/45/1030233545.db2.gz SIGFYMJNFNXYDZ-GOSISDBHSA-N 1 2 332.492 3.808 20 0 EHADLO Cc1cccc(C)c1OCCC[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000447526279 1030248709 /nfs/dbraw/zinc/24/87/09/1030248709.db2.gz CHWTWGYFVBVRKL-SFHVURJKSA-N 1 2 336.439 3.570 20 0 EHADLO CC(C)c1ncc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)s1 ZINC000537637105 1030293554 /nfs/dbraw/zinc/29/35/54/1030293554.db2.gz BVZGFXNYIGIFPD-UHFFFAOYSA-N 1 2 337.439 3.867 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000458621466 1030332581 /nfs/dbraw/zinc/33/25/81/1030332581.db2.gz PXUPHCALKDDRSC-LNLFQRSKSA-N 1 2 349.425 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000458621466 1030332595 /nfs/dbraw/zinc/33/25/95/1030332595.db2.gz PXUPHCALKDDRSC-LNLFQRSKSA-N 1 2 349.425 3.508 20 0 EHADLO Cc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1Cl ZINC000343335036 1030334665 /nfs/dbraw/zinc/33/46/65/1030334665.db2.gz BWZQCTAUEMGUDN-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000668008051 1030341316 /nfs/dbraw/zinc/34/13/16/1030341316.db2.gz LUWGLKBLHTVCIW-UHFFFAOYSA-N 1 2 329.391 3.880 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCc3ccc(F)cc31)C2 ZINC000526003515 1030343189 /nfs/dbraw/zinc/34/31/89/1030343189.db2.gz OXSHXQWQJMLEDF-CJNGLKHVSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCc3ccc(F)cc31)CC2 ZINC000526003515 1030343204 /nfs/dbraw/zinc/34/32/04/1030343204.db2.gz OXSHXQWQJMLEDF-CJNGLKHVSA-N 1 2 341.430 3.581 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)s1 ZINC000453594898 1030356214 /nfs/dbraw/zinc/35/62/14/1030356214.db2.gz LMLHTQYYPLCYFB-LDYMZIIASA-N 1 2 326.263 3.811 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121755180 1030358444 /nfs/dbraw/zinc/35/84/44/1030358444.db2.gz FELPSTLXNYMREG-GOSISDBHSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)s1 ZINC000453578332 1030367982 /nfs/dbraw/zinc/36/79/82/1030367982.db2.gz YJRLOHZWMSUSQI-LLVKDONJSA-N 1 2 326.263 3.709 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)s1 ZINC000453578332 1030367989 /nfs/dbraw/zinc/36/79/89/1030367989.db2.gz YJRLOHZWMSUSQI-LLVKDONJSA-N 1 2 326.263 3.709 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC000092095739 1030384709 /nfs/dbraw/zinc/38/47/09/1030384709.db2.gz GYVDQPSPGSDEEG-OIISXLGYSA-N 1 2 336.501 3.569 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC000092095739 1030384719 /nfs/dbraw/zinc/38/47/19/1030384719.db2.gz GYVDQPSPGSDEEG-OIISXLGYSA-N 1 2 336.501 3.569 20 0 EHADLO CCOc1cc(C[NH+]2CC(CC)C2)cc(Br)c1OC ZINC000453603425 1030389720 /nfs/dbraw/zinc/38/97/20/1030389720.db2.gz LHOORKAMXPNJLJ-UHFFFAOYSA-N 1 2 328.250 3.698 20 0 EHADLO CC[C@H](Cc1ccccc1)N(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000532094570 1030394135 /nfs/dbraw/zinc/39/41/35/1030394135.db2.gz HAYIIMYLYFDIDS-LJQANCHMSA-N 1 2 342.487 3.716 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCC2(CCCC2)C1 ZINC000526094235 1030415219 /nfs/dbraw/zinc/41/52/19/1030415219.db2.gz KVXLRQMUKLCGHG-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cnn1C(C)C ZINC000092366856 1030436788 /nfs/dbraw/zinc/43/67/88/1030436788.db2.gz UQLPJMQHJMOZKZ-UHFFFAOYSA-N 1 2 343.818 3.864 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCC(C)(C)C)s1 ZINC000121977869 1030449660 /nfs/dbraw/zinc/44/96/60/1030449660.db2.gz UOOHTBDOJLYIBV-ZDUSSCGKSA-N 1 2 325.522 3.559 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCC(C)(C)C)s1 ZINC000121977869 1030449670 /nfs/dbraw/zinc/44/96/70/1030449670.db2.gz UOOHTBDOJLYIBV-ZDUSSCGKSA-N 1 2 325.522 3.559 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000447765690 1030470693 /nfs/dbraw/zinc/47/06/93/1030470693.db2.gz QMIYZKWERFRDGS-FUHWJXTLSA-N 1 2 335.382 3.606 20 0 EHADLO C[C@H](CC(=O)NCC(C)(C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000567991192 1030483116 /nfs/dbraw/zinc/48/31/16/1030483116.db2.gz LTBBNQDMZXXBGS-CQSZACIVSA-N 1 2 333.863 3.873 20 0 EHADLO O=C(NC1CC[NH+](Cc2c(F)cccc2F)CC1)C1CCCCC1 ZINC000092644850 1030492177 /nfs/dbraw/zinc/49/21/77/1030492177.db2.gz UOGUJGHQOMTHRP-UHFFFAOYSA-N 1 2 336.426 3.626 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824184 1030501848 /nfs/dbraw/zinc/50/18/48/1030501848.db2.gz XZPSMOSKCOCKNT-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824184 1030501858 /nfs/dbraw/zinc/50/18/58/1030501858.db2.gz XZPSMOSKCOCKNT-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](CC)CCc2nccs2)cs1 ZINC000159264039 1030513889 /nfs/dbraw/zinc/51/38/89/1030513889.db2.gz RYXLSOBEZPMSMG-LBPRGKRZSA-N 1 2 325.503 3.762 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](CC)CCc2nccs2)cs1 ZINC000159264039 1030513896 /nfs/dbraw/zinc/51/38/96/1030513896.db2.gz RYXLSOBEZPMSMG-LBPRGKRZSA-N 1 2 325.503 3.762 20 0 EHADLO Cc1ccc(CCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343369533 1030545538 /nfs/dbraw/zinc/54/55/38/1030545538.db2.gz LWVZFASGBDRSKJ-UHFFFAOYSA-N 1 2 334.423 3.596 20 0 EHADLO C[N@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104769 1030561213 /nfs/dbraw/zinc/56/12/13/1030561213.db2.gz RJWOWEAHHUXVBV-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO C[N@@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104769 1030561236 /nfs/dbraw/zinc/56/12/36/1030561236.db2.gz RJWOWEAHHUXVBV-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cscn2)c1)c1ccc(F)cc1 ZINC000060526774 1030571637 /nfs/dbraw/zinc/57/16/37/1030571637.db2.gz YDQQPHPPZMCSKD-UHFFFAOYSA-N 1 2 341.411 3.824 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2nccn2C)c2ccccc2)c(C)[nH+]1 ZINC000583736075 1030580427 /nfs/dbraw/zinc/58/04/27/1030580427.db2.gz IVDFTFHPMDIPHG-SFHVURJKSA-N 1 2 349.438 3.651 20 0 EHADLO Cn1c(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)nc2ccccc21 ZINC000093363929 1030591117 /nfs/dbraw/zinc/59/11/17/1030591117.db2.gz KHNDWXDNRQSSMC-UHFFFAOYSA-N 1 2 331.423 3.595 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)nc2ccccc21 ZINC000093363929 1030591130 /nfs/dbraw/zinc/59/11/30/1030591130.db2.gz KHNDWXDNRQSSMC-UHFFFAOYSA-N 1 2 331.423 3.595 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cn1 ZINC000193695426 1030602590 /nfs/dbraw/zinc/60/25/90/1030602590.db2.gz PXTKYNITNDDKSO-OAHLLOKOSA-N 1 2 330.863 3.516 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457520 1030615788 /nfs/dbraw/zinc/61/57/88/1030615788.db2.gz SXSDYVRCRNSXHP-FQEVSTJZSA-N 1 2 349.434 3.664 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457520 1030615800 /nfs/dbraw/zinc/61/58/00/1030615800.db2.gz SXSDYVRCRNSXHP-FQEVSTJZSA-N 1 2 349.434 3.664 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000093478405 1030616800 /nfs/dbraw/zinc/61/68/00/1030616800.db2.gz ZBYMZMIFSWREPM-HXUWFJFHSA-N 1 2 337.467 3.564 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000093478405 1030616806 /nfs/dbraw/zinc/61/68/06/1030616806.db2.gz ZBYMZMIFSWREPM-HXUWFJFHSA-N 1 2 337.467 3.564 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cc2ccccc2o1 ZINC000472300882 1030646350 /nfs/dbraw/zinc/64/63/50/1030646350.db2.gz YMWZRSZELXJRTE-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cc2ccccc2o1 ZINC000472300882 1030646356 /nfs/dbraw/zinc/64/63/56/1030646356.db2.gz YMWZRSZELXJRTE-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000093660849 1030651973 /nfs/dbraw/zinc/65/19/73/1030651973.db2.gz IPPHCHIQMPQKRI-MGPUTAFESA-N 1 2 327.472 3.507 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000093660849 1030651979 /nfs/dbraw/zinc/65/19/79/1030651979.db2.gz IPPHCHIQMPQKRI-MGPUTAFESA-N 1 2 327.472 3.507 20 0 EHADLO C[C@@H](CC(=O)N1CCN(C2CC2)c2cc(Cl)ccc21)n1cc[nH+]c1 ZINC000583755921 1030665644 /nfs/dbraw/zinc/66/56/44/1030665644.db2.gz ISYTYCFOWDZCPU-ZDUSSCGKSA-N 1 2 344.846 3.503 20 0 EHADLO CC[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000562041282 1030735615 /nfs/dbraw/zinc/73/56/15/1030735615.db2.gz JVVAQMOFVFZZAU-IBGZPJMESA-N 1 2 347.462 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)C2 ZINC000527248399 1030736790 /nfs/dbraw/zinc/73/67/90/1030736790.db2.gz GAYSZHOUHHUBQJ-VYDXJSESSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)CC2 ZINC000527248399 1030736809 /nfs/dbraw/zinc/73/68/09/1030736809.db2.gz GAYSZHOUHHUBQJ-VYDXJSESSA-N 1 2 329.488 3.723 20 0 EHADLO CC1(C)Cc2cccc(C[NH2+][C@H](CO)c3ccc(F)cc3F)c2O1 ZINC000657792997 1030742541 /nfs/dbraw/zinc/74/25/41/1030742541.db2.gz PSTZHQXWHZOTPI-QGZVFWFLSA-N 1 2 333.378 3.502 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171360084 1030754992 /nfs/dbraw/zinc/75/49/92/1030754992.db2.gz JPKFVWFQJZGSKI-UHFFFAOYSA-N 1 2 346.862 3.516 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000476645571 1030766609 /nfs/dbraw/zinc/76/66/09/1030766609.db2.gz PFICUAKCLXCBST-BNLOLNQZSA-N 1 2 347.409 3.660 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000171617345 1030767271 /nfs/dbraw/zinc/76/72/71/1030767271.db2.gz YJLIPHMAMOARHB-HNNXBMFYSA-N 1 2 327.472 3.560 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1)C(C)C ZINC000171617345 1030767286 /nfs/dbraw/zinc/76/72/86/1030767286.db2.gz YJLIPHMAMOARHB-HNNXBMFYSA-N 1 2 327.472 3.560 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000171440291 1030778002 /nfs/dbraw/zinc/77/80/02/1030778002.db2.gz HGRMSDWFCJJQKD-CQSZACIVSA-N 1 2 325.387 3.979 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000537648674 1030798772 /nfs/dbraw/zinc/79/87/72/1030798772.db2.gz RWTWLLPWLNCAED-SFHVURJKSA-N 1 2 333.378 3.904 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000537648674 1030798789 /nfs/dbraw/zinc/79/87/89/1030798789.db2.gz RWTWLLPWLNCAED-SFHVURJKSA-N 1 2 333.378 3.904 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)c1cc(CO)on1 ZINC000924782075 1030806513 /nfs/dbraw/zinc/80/65/13/1030806513.db2.gz JSELGBNEZQGXHQ-GHMZBOCLSA-N 1 2 344.333 3.520 20 0 EHADLO O=c1ccccn1-c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213090696 1030811286 /nfs/dbraw/zinc/81/12/86/1030811286.db2.gz BNUCJIPICHMRFW-UHFFFAOYSA-N 1 2 328.375 3.971 20 0 EHADLO Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000157797110 1030855621 /nfs/dbraw/zinc/85/56/21/1030855621.db2.gz POZFVYIGPRSYNO-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1)c1nc2ccccc2s1 ZINC000482978640 1030875925 /nfs/dbraw/zinc/87/59/25/1030875925.db2.gz ZUZCRWFUFZGNCL-MRXNPFEDSA-N 1 2 337.448 3.706 20 0 EHADLO CN(C(=O)C[N@H+]1CC[C@@H]1c1ccccc1)c1nc2ccccc2s1 ZINC000482978640 1030875944 /nfs/dbraw/zinc/87/59/44/1030875944.db2.gz ZUZCRWFUFZGNCL-MRXNPFEDSA-N 1 2 337.448 3.706 20 0 EHADLO Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2nnc[nH]2)cc1 ZINC000550999687 1030879373 /nfs/dbraw/zinc/87/93/73/1030879373.db2.gz TYEXTMZGVVGACF-PLYYQAHHSA-N 1 2 328.435 3.982 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCCc1ccccc1 ZINC000151172320 1030936763 /nfs/dbraw/zinc/93/67/63/1030936763.db2.gz BZDZCYLMUSLWJP-DYESRHJHSA-N 1 2 348.446 3.706 20 0 EHADLO CCc1cccc2cc(C[NH2+][C@H](c3nccn3C)C(C)(C)CO)oc21 ZINC000668210319 1030990403 /nfs/dbraw/zinc/99/04/03/1030990403.db2.gz ZQYXMCVKYNOHBO-GOSISDBHSA-N 1 2 341.455 3.578 20 0 EHADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000448370303 1031005085 /nfs/dbraw/zinc/00/50/85/1031005085.db2.gz HGHHHQXTQVWCQQ-MRXNPFEDSA-N 1 2 349.276 3.557 20 0 EHADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000448370303 1031005097 /nfs/dbraw/zinc/00/50/97/1031005097.db2.gz HGHHHQXTQVWCQQ-MRXNPFEDSA-N 1 2 349.276 3.557 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483173770 1031009864 /nfs/dbraw/zinc/00/98/64/1031009864.db2.gz IAYBIDAAVICWFL-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483173770 1031009876 /nfs/dbraw/zinc/00/98/76/1031009876.db2.gz IAYBIDAAVICWFL-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc(F)cc4F)no3)[nH+]c12 ZINC000551101903 1031047640 /nfs/dbraw/zinc/04/76/40/1031047640.db2.gz AKXTZJCFIUNMJP-UHFFFAOYSA-N 1 2 326.306 3.562 20 0 EHADLO c1nnc([C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c2cccnc2)[nH]1 ZINC000551175837 1031076080 /nfs/dbraw/zinc/07/60/80/1031076080.db2.gz ONKXGPGBHHSCQY-BHIYHBOVSA-N 1 2 333.439 3.605 20 0 EHADLO Fc1ccc(F)c(CC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000668226913 1031076673 /nfs/dbraw/zinc/07/66/73/1031076673.db2.gz WTTHRSIPNCYOBE-UHFFFAOYSA-N 1 2 346.425 3.736 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000483346341 1031119446 /nfs/dbraw/zinc/11/94/46/1031119446.db2.gz BMXKFZBQZOEEON-QWHCGFSZSA-N 1 2 330.432 3.569 20 0 EHADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1C=CCCC1 ZINC000483356603 1031125430 /nfs/dbraw/zinc/12/54/30/1031125430.db2.gz ORGVZDQEVJLZPL-HNNXBMFYSA-N 1 2 347.260 3.570 20 0 EHADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1C=CCCC1 ZINC000483356603 1031125437 /nfs/dbraw/zinc/12/54/37/1031125437.db2.gz ORGVZDQEVJLZPL-HNNXBMFYSA-N 1 2 347.260 3.570 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000343500326 1031136122 /nfs/dbraw/zinc/13/61/22/1031136122.db2.gz AAUWQHSYTAXHHE-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO Cc1nn(C(C)C)cc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000343500326 1031136131 /nfs/dbraw/zinc/13/61/31/1031136131.db2.gz AAUWQHSYTAXHHE-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO COCc1nc(C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)cs1 ZINC000527708654 1031142989 /nfs/dbraw/zinc/14/29/89/1031142989.db2.gz DGQMBMWQVLUZAR-UHFFFAOYSA-N 1 2 346.374 3.607 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000278502282 1031143065 /nfs/dbraw/zinc/14/30/65/1031143065.db2.gz LLHHCRVJEXAPLT-UHFFFAOYSA-N 1 2 325.387 3.824 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000668243972 1031148256 /nfs/dbraw/zinc/14/82/56/1031148256.db2.gz NHLXBHQLADSCRP-VIFPVBQESA-N 1 2 329.288 3.603 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000668243972 1031148267 /nfs/dbraw/zinc/14/82/67/1031148267.db2.gz NHLXBHQLADSCRP-VIFPVBQESA-N 1 2 329.288 3.603 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000483415042 1031151308 /nfs/dbraw/zinc/15/13/08/1031151308.db2.gz ZIPQDRZZURDKDE-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000483415042 1031151322 /nfs/dbraw/zinc/15/13/22/1031151322.db2.gz ZIPQDRZZURDKDE-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(CC)cc3)C2)n1 ZINC000483430146 1031161490 /nfs/dbraw/zinc/16/14/90/1031161490.db2.gz VCGDRSRKVUKRCF-IBGZPJMESA-N 1 2 326.440 3.616 20 0 EHADLO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(CC)cc3)C2)n1 ZINC000483430146 1031161505 /nfs/dbraw/zinc/16/15/05/1031161505.db2.gz VCGDRSRKVUKRCF-IBGZPJMESA-N 1 2 326.440 3.616 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cc(OC)ccc3OC)CCO2)cc1 ZINC000483434972 1031169345 /nfs/dbraw/zinc/16/93/45/1031169345.db2.gz FKOHQKDILKUCNE-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc(OC)ccc3OC)CCO2)cc1 ZINC000483434972 1031169355 /nfs/dbraw/zinc/16/93/55/1031169355.db2.gz FKOHQKDILKUCNE-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1F ZINC000278517505 1031208307 /nfs/dbraw/zinc/20/83/07/1031208307.db2.gz PPBFLCHHNASQLK-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO Fc1cc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)ccc1C(F)(F)F ZINC000923819307 1031220503 /nfs/dbraw/zinc/22/05/03/1031220503.db2.gz ROOFSNSPJOAOKW-RKDXNWHRSA-N 1 2 338.264 3.889 20 0 EHADLO Cc1sccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000448561831 1031224580 /nfs/dbraw/zinc/22/45/80/1031224580.db2.gz ARWMZSYVEPYWRO-VMPITWQZSA-N 1 2 326.465 3.528 20 0 EHADLO CSCCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278531599 1031268552 /nfs/dbraw/zinc/26/85/52/1031268552.db2.gz FGBJRRJELCILSS-UHFFFAOYSA-N 1 2 344.484 3.761 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC(OCCC(C)C)CC2)cs1 ZINC000175098413 1031274662 /nfs/dbraw/zinc/27/46/62/1031274662.db2.gz FTQLDAYQGOCBJL-AWEZNQCLSA-N 1 2 326.506 3.878 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CCCC1 ZINC000508790440 1031288626 /nfs/dbraw/zinc/28/86/26/1031288626.db2.gz JKEPVHVATXLQIN-SJLPKXTDSA-N 1 2 329.488 3.581 20 0 EHADLO FC(F)(F)c1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)n1 ZINC000648656399 1031317812 /nfs/dbraw/zinc/31/78/12/1031317812.db2.gz YIMZVTGUWXJPGW-UHFFFAOYSA-N 1 2 335.251 3.804 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(-n2cccn2)c1 ZINC000116741512 1031323093 /nfs/dbraw/zinc/32/30/93/1031323093.db2.gz HJNZARLVFOCOCH-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO COc1ccccc1/C=C\C[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000483829680 1031359962 /nfs/dbraw/zinc/35/99/62/1031359962.db2.gz GCQGQMQPAYQUEA-YFHOEESVSA-N 1 2 335.407 3.857 20 0 EHADLO Fc1cc2c(cc1Cl)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000527875264 1031403038 /nfs/dbraw/zinc/40/30/38/1031403038.db2.gz CIEWQLCUPLPJRO-KRWDZBQOSA-N 1 2 347.821 3.810 20 0 EHADLO C[C@H](CCC1CCCCC1)[NH2+]C(c1nccn1C)c1nccn1C ZINC000527943506 1031469956 /nfs/dbraw/zinc/46/99/56/1031469956.db2.gz FUQAOSAXTPNFQB-OAHLLOKOSA-N 1 2 329.492 3.582 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000176780277 1031484777 /nfs/dbraw/zinc/48/47/77/1031484777.db2.gz MTHQTIJVAXCHFM-DOTOQJQBSA-N 1 2 329.469 3.666 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347418276 1031505599 /nfs/dbraw/zinc/50/55/99/1031505599.db2.gz NMYCSABUTLXXGH-ZDUSSCGKSA-N 1 2 346.500 3.502 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1C ZINC000347418357 1031505667 /nfs/dbraw/zinc/50/56/67/1031505667.db2.gz ALPOUYYIXPEIRG-CQSZACIVSA-N 1 2 331.847 3.710 20 0 EHADLO CC(C)(C)c1nc(CSCc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000177824409 1031575360 /nfs/dbraw/zinc/57/53/60/1031575360.db2.gz LSCOYCSYPYVZDM-UHFFFAOYSA-N 1 2 328.441 3.986 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1c(F)cccc1Sc1ccccc1 ZINC000343606895 1031602963 /nfs/dbraw/zinc/60/29/63/1031602963.db2.gz QUKLVWMSFWSJJF-UHFFFAOYSA-N 1 2 341.411 3.673 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000584063527 1031612863 /nfs/dbraw/zinc/61/28/63/1031612863.db2.gz UEDXMZVPXCYQFH-DYQSUWPFSA-N 1 2 338.238 3.567 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000584063527 1031612868 /nfs/dbraw/zinc/61/28/68/1031612868.db2.gz UEDXMZVPXCYQFH-DYQSUWPFSA-N 1 2 338.238 3.567 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000347448393 1031614905 /nfs/dbraw/zinc/61/49/05/1031614905.db2.gz QRNRHZGFCYCUAL-ZIAGYGMSSA-N 1 2 347.409 3.598 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c2ccoc21 ZINC000904030635 1031637020 /nfs/dbraw/zinc/63/70/20/1031637020.db2.gz WQPYEVHMBZHKBU-XHDPSFHLSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c2ccoc21 ZINC000904030635 1031637030 /nfs/dbraw/zinc/63/70/30/1031637030.db2.gz WQPYEVHMBZHKBU-XHDPSFHLSA-N 1 2 343.358 3.548 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(Br)o2)no1)Cc1ccccc1 ZINC000178273462 1031649781 /nfs/dbraw/zinc/64/97/81/1031649781.db2.gz SEFUPXYRZBAAJK-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(Br)o2)no1)Cc1ccccc1 ZINC000178273462 1031649790 /nfs/dbraw/zinc/64/97/90/1031649790.db2.gz SEFUPXYRZBAAJK-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)csc2C1 ZINC000347465186 1031654348 /nfs/dbraw/zinc/65/43/48/1031654348.db2.gz JVKNWELPUIKXLK-ZIAGYGMSSA-N 1 2 343.496 3.626 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278615125 1031658036 /nfs/dbraw/zinc/65/80/36/1031658036.db2.gz BLAFGPUCBIZAHX-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO Cc1ccc(F)c(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000448771736 1031659885 /nfs/dbraw/zinc/65/98/85/1031659885.db2.gz QLOHPECZACKXCU-UHFFFAOYSA-N 1 2 347.459 3.758 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178503528 1031672760 /nfs/dbraw/zinc/67/27/60/1031672760.db2.gz XBBNLGIPBLUHIR-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cc2occ(CC(=O)NCc3ccn4cc[nH+]c4c3)c2cc1C ZINC000178358976 1031685888 /nfs/dbraw/zinc/68/58/88/1031685888.db2.gz BBRZORPGRHPNEM-UHFFFAOYSA-N 1 2 333.391 3.556 20 0 EHADLO CC(C)(C)c1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ncn1 ZINC000685267663 1031734950 /nfs/dbraw/zinc/73/49/50/1031734950.db2.gz UFCHTNBGWMLSJX-UHFFFAOYSA-N 1 2 325.460 3.772 20 0 EHADLO CC(C)(CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000158946803 1031753428 /nfs/dbraw/zinc/75/34/28/1031753428.db2.gz NTLBMIVQUPQNOH-LJQANCHMSA-N 1 2 338.451 3.819 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCCC34CC4)n2)CC1 ZINC000528136270 1031761486 /nfs/dbraw/zinc/76/14/86/1031761486.db2.gz AJYMJFZYNWPJBT-HNNXBMFYSA-N 1 2 333.501 3.894 20 0 EHADLO COc1ccc(NC(=O)c2ccn3c(C)c[nH+]c3c2)cc1OC(C)C ZINC000584122725 1031773819 /nfs/dbraw/zinc/77/38/19/1031773819.db2.gz AVIHVLPUWQGSEO-UHFFFAOYSA-N 1 2 339.395 3.691 20 0 EHADLO CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117610001 1031778497 /nfs/dbraw/zinc/77/84/97/1031778497.db2.gz PFRKEGHXLAHDJX-UHFFFAOYSA-N 1 2 348.406 3.782 20 0 EHADLO CCCCNC(=O)C1([NH2+]Cc2ncc(C(C)(C)C)o2)CCCCC1 ZINC000085906489 1031781558 /nfs/dbraw/zinc/78/15/58/1031781558.db2.gz VWAPEQRZRFRPCO-UHFFFAOYSA-N 1 2 335.492 3.681 20 0 EHADLO Cc1ccccc1OCCCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117623425 1031783530 /nfs/dbraw/zinc/78/35/30/1031783530.db2.gz SHSJCMNWPRDTEY-UHFFFAOYSA-N 1 2 349.434 3.722 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000448909163 1031872477 /nfs/dbraw/zinc/87/24/77/1031872477.db2.gz IJXHZFXCZBHXDN-OALUTQOASA-N 1 2 337.467 3.974 20 0 EHADLO C[C@@H]1C[NH+](CCCOc2ccc(C(C)(C)C)cc2)C[C@@H](C)S1=O ZINC000484717812 1031893334 /nfs/dbraw/zinc/89/33/34/1031893334.db2.gz VWDVCJUHSCFPRO-HZPDHXFCSA-N 1 2 337.529 3.594 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(/C=C\c2cnc(C(C)(C)C)s2)n1 ZINC000904260940 1031905584 /nfs/dbraw/zinc/90/55/84/1031905584.db2.gz UZZLYLPTCUTRFQ-YVMONPNESA-N 1 2 341.440 3.947 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000180840357 1031912326 /nfs/dbraw/zinc/91/23/26/1031912326.db2.gz SFZNZDNQVXEMQV-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000180840357 1031912337 /nfs/dbraw/zinc/91/23/37/1031912337.db2.gz SFZNZDNQVXEMQV-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000584212657 1031948384 /nfs/dbraw/zinc/94/83/84/1031948384.db2.gz ZDHAERBMZASCLW-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cnccc1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000584212657 1031948398 /nfs/dbraw/zinc/94/83/98/1031948398.db2.gz ZDHAERBMZASCLW-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000904334760 1031956496 /nfs/dbraw/zinc/95/64/96/1031956496.db2.gz HHKDFJQYWKYQJY-UHFFFAOYSA-N 1 2 334.354 3.961 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000350007918 1031984263 /nfs/dbraw/zinc/98/42/63/1031984263.db2.gz HHWWYWKJFNGRSU-UHFFFAOYSA-N 1 2 342.349 3.687 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000278686910 1031985688 /nfs/dbraw/zinc/98/56/88/1031985688.db2.gz JANLEWHYGDCZJQ-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000278686910 1031985700 /nfs/dbraw/zinc/98/57/00/1031985700.db2.gz JANLEWHYGDCZJQ-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000181148546 1031987685 /nfs/dbraw/zinc/98/76/85/1031987685.db2.gz YLFGNRZUBZZKLG-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000181148546 1031987693 /nfs/dbraw/zinc/98/76/93/1031987693.db2.gz YLFGNRZUBZZKLG-UHFFFAOYSA-N 1 2 326.831 3.768 20 0 EHADLO Fc1ccc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000904370392 1031995368 /nfs/dbraw/zinc/99/53/68/1031995368.db2.gz CKMZFANYEJWEBV-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477570 1031995246 /nfs/dbraw/zinc/99/52/46/1031995246.db2.gz XELJIPNFALEGHX-IRXDYDNUSA-N 1 2 346.519 3.906 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477570 1031995256 /nfs/dbraw/zinc/99/52/56/1031995256.db2.gz XELJIPNFALEGHX-IRXDYDNUSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(O)c1 ZINC000181505006 1031996481 /nfs/dbraw/zinc/99/64/81/1031996481.db2.gz PASHHLYROHQBAT-JTQLQIEISA-N 1 2 331.322 3.571 20 0 EHADLO Fc1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000343701898 1032000821 /nfs/dbraw/zinc/00/08/21/1032000821.db2.gz GUWQYIQXQQOCGF-INIZCTEOSA-N 1 2 330.794 3.519 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)cc2s1 ZINC000426365841 1032014616 /nfs/dbraw/zinc/01/46/16/1032014616.db2.gz NEWVKJSEEIADSA-OAHLLOKOSA-N 1 2 332.469 3.911 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)cc2s1 ZINC000426365841 1032014617 /nfs/dbraw/zinc/01/46/17/1032014617.db2.gz NEWVKJSEEIADSA-OAHLLOKOSA-N 1 2 332.469 3.911 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000449013222 1032021518 /nfs/dbraw/zinc/02/15/18/1032021518.db2.gz BMSWFQOCYJUOMM-LSDHHAIUSA-N 1 2 336.407 3.842 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000449013222 1032021541 /nfs/dbraw/zinc/02/15/41/1032021541.db2.gz BMSWFQOCYJUOMM-LSDHHAIUSA-N 1 2 336.407 3.842 20 0 EHADLO C[C@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC=CCC1 ZINC000459399380 1032037025 /nfs/dbraw/zinc/03/70/25/1032037025.db2.gz LQWJLUYHSJESPC-IBGZPJMESA-N 1 2 340.427 3.582 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cncc(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000181831104 1032038494 /nfs/dbraw/zinc/03/84/94/1032038494.db2.gz RTUIAYSYLPTNCR-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000459401440 1032040324 /nfs/dbraw/zinc/04/03/24/1032040324.db2.gz XSYNABJQYQYTNG-HNNXBMFYSA-N 1 2 349.818 3.531 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000584277982 1032045060 /nfs/dbraw/zinc/04/50/60/1032045060.db2.gz HGNYWDLZKBNTME-BUXKBTBVSA-N 1 2 338.842 3.721 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000181991177 1032051268 /nfs/dbraw/zinc/05/12/68/1032051268.db2.gz IZGUYXHFGOQZIR-MAUKXSAKSA-N 1 2 326.444 3.869 20 0 EHADLO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c(=S)n1CCc1cccs1 ZINC000173439232 1033332084 /nfs/dbraw/zinc/33/20/84/1033332084.db2.gz MAXUJMSIIGALIJ-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO Cc1nn(C[N@H+]2CCC(C)(C)C2)c(=S)n1CCc1cccs1 ZINC000173439232 1033332091 /nfs/dbraw/zinc/33/20/91/1033332091.db2.gz MAXUJMSIIGALIJ-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc(F)cc2F)CS1 ZINC000898106638 1033351645 /nfs/dbraw/zinc/35/16/45/1033351645.db2.gz QRVSGKSUAABIFX-FFSVYQOJSA-N 1 2 337.439 3.661 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486997 1033368715 /nfs/dbraw/zinc/36/87/15/1033368715.db2.gz YFKJIZVRIMOLGV-CHWSQXEVSA-N 1 2 328.551 3.733 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486997 1033368727 /nfs/dbraw/zinc/36/87/27/1033368727.db2.gz YFKJIZVRIMOLGV-CHWSQXEVSA-N 1 2 328.551 3.733 20 0 EHADLO O=C(NCC1CC=CC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000529082845 1033383191 /nfs/dbraw/zinc/38/31/91/1033383191.db2.gz TVBJYDGUKAVVQW-UHFFFAOYSA-N 1 2 336.439 3.974 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3cccc(F)c3o2)c1C ZINC000607895918 1033395916 /nfs/dbraw/zinc/39/59/16/1033395916.db2.gz PPWPMNOHOIXYTI-UHFFFAOYSA-N 1 2 342.370 3.865 20 0 EHADLO COc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000594503742 1033404789 /nfs/dbraw/zinc/40/47/89/1033404789.db2.gz AUOKMJZYPQXCQC-OAQYLSRUSA-N 1 2 349.434 3.578 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)c[nH+]1 ZINC000898275406 1033421979 /nfs/dbraw/zinc/42/19/79/1033421979.db2.gz RNPJUVTVLNSPMP-ZDUSSCGKSA-N 1 2 345.874 3.768 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccccc2SC(F)(F)F)n1 ZINC000898278768 1033423747 /nfs/dbraw/zinc/42/37/47/1033423747.db2.gz NBPVWTHQLWFNQH-UHFFFAOYSA-N 1 2 330.379 3.508 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C(C)(C)[C@@H]2CCCCO2)n1 ZINC000898312940 1033449914 /nfs/dbraw/zinc/44/99/14/1033449914.db2.gz PWYRZZKZGAMDCI-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000657903813 1033452732 /nfs/dbraw/zinc/45/27/32/1033452732.db2.gz XKCMGKUIQMFZBQ-QGZVFWFLSA-N 1 2 338.480 3.750 20 0 EHADLO C(=C/c1ccccc1)\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000598806892 1033476480 /nfs/dbraw/zinc/47/64/80/1033476480.db2.gz HCESIXFXIAIGEG-MDZDMXLPSA-N 1 2 347.418 3.739 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431605004 1033488115 /nfs/dbraw/zinc/48/81/15/1033488115.db2.gz AAIVOKBTIBXCPH-GOSISDBHSA-N 1 2 347.462 3.611 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cc3ccncc3s2)c1 ZINC000594735898 1033508852 /nfs/dbraw/zinc/50/88/52/1033508852.db2.gz YMFDDSNDBWPNSX-UHFFFAOYSA-N 1 2 331.466 3.529 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1)c1cc2ccccc2o1 ZINC000174063727 1033532411 /nfs/dbraw/zinc/53/24/11/1033532411.db2.gz MSSPKYSDSJQKJW-AVGNSLFASA-N 1 2 343.452 3.806 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000537516710 1033547837 /nfs/dbraw/zinc/54/78/37/1033547837.db2.gz HBLQWQVKUAIOAV-VBKZILBWSA-N 1 2 345.389 4.000 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000537516710 1033547848 /nfs/dbraw/zinc/54/78/48/1033547848.db2.gz HBLQWQVKUAIOAV-VBKZILBWSA-N 1 2 345.389 4.000 20 0 EHADLO Cc1ccncc1C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000643884769 1033550532 /nfs/dbraw/zinc/55/05/32/1033550532.db2.gz IYTGTGICSQDGNE-UHFFFAOYSA-N 1 2 332.201 3.584 20 0 EHADLO COC[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccco1 ZINC000080240390 1033550663 /nfs/dbraw/zinc/55/06/63/1033550663.db2.gz DIAUKSPOCOCLSM-KRWDZBQOSA-N 1 2 345.830 3.655 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000106240913 1033560325 /nfs/dbraw/zinc/56/03/25/1033560325.db2.gz KUDSWVWHHCVPSX-OFQRWUPVSA-N 1 2 331.485 3.840 20 0 EHADLO CC[C@H]1CCC[C@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449997137 1033572948 /nfs/dbraw/zinc/57/29/48/1033572948.db2.gz SIWWPENBOMRCIM-RBUKOAKNSA-N 1 2 343.515 3.973 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1oc(C)nc1C ZINC000685568293 1033577613 /nfs/dbraw/zinc/57/76/13/1033577613.db2.gz MVXRAQOBHMLJTD-UHFFFAOYSA-N 1 2 335.835 3.796 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1oc(C)nc1C ZINC000685568293 1033577619 /nfs/dbraw/zinc/57/76/19/1033577619.db2.gz MVXRAQOBHMLJTD-UHFFFAOYSA-N 1 2 335.835 3.796 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677731789 1033613990 /nfs/dbraw/zinc/61/39/90/1033613990.db2.gz ODEARCQJPMUDQX-IUCAKERBSA-N 1 2 337.197 3.907 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](C(F)F)C1 ZINC000677731789 1033614000 /nfs/dbraw/zinc/61/40/00/1033614000.db2.gz ODEARCQJPMUDQX-IUCAKERBSA-N 1 2 337.197 3.907 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000685619293 1033630924 /nfs/dbraw/zinc/63/09/24/1033630924.db2.gz FPJNMYNXUCPAHN-QGZVFWFLSA-N 1 2 336.357 3.687 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000685619293 1033630929 /nfs/dbraw/zinc/63/09/29/1033630929.db2.gz FPJNMYNXUCPAHN-QGZVFWFLSA-N 1 2 336.357 3.687 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3C[C@@H](C)[C@@H]3c3ccccc3)nc2c1 ZINC000595343056 1033735230 /nfs/dbraw/zinc/73/52/30/1033735230.db2.gz VRGPFEANYQVEFG-BFUOFWGJSA-N 1 2 335.407 3.543 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3C[C@@H](C)[C@@H]3c3ccccc3)nc2c1 ZINC000595343056 1033735245 /nfs/dbraw/zinc/73/52/45/1033735245.db2.gz VRGPFEANYQVEFG-BFUOFWGJSA-N 1 2 335.407 3.543 20 0 EHADLO Cc1ccccc1-c1noc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000608507309 1033736406 /nfs/dbraw/zinc/73/64/06/1033736406.db2.gz WAJDKHKZSMNNIL-UHFFFAOYSA-N 1 2 325.334 3.819 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000120381414 1033739778 /nfs/dbraw/zinc/73/97/78/1033739778.db2.gz DHNZHGNOKLPAND-AWEZNQCLSA-N 1 2 339.464 3.730 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C(C)(C)C(F)F ZINC000657965702 1033743666 /nfs/dbraw/zinc/74/36/66/1033743666.db2.gz BNOVCXFROFNXRM-XQQFMLRXSA-N 1 2 327.419 3.787 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2F)[C@H](C)C1 ZINC000575063413 1033773089 /nfs/dbraw/zinc/77/30/89/1033773089.db2.gz UTEPMGUENDZPRC-BXKDBHETSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2F)[C@H](C)C1 ZINC000575063413 1033773107 /nfs/dbraw/zinc/77/31/07/1033773107.db2.gz UTEPMGUENDZPRC-BXKDBHETSA-N 1 2 334.204 3.727 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599150905 1033764274 /nfs/dbraw/zinc/76/42/74/1033764274.db2.gz UBVQWQGKIQMFJG-KGLIPLIRSA-N 1 2 341.455 3.621 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2F)[C@@H](C)C1 ZINC000575063415 1033774277 /nfs/dbraw/zinc/77/42/77/1033774277.db2.gz UTEPMGUENDZPRC-JOYOIKCWSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2F)[C@@H](C)C1 ZINC000575063415 1033774291 /nfs/dbraw/zinc/77/42/91/1033774291.db2.gz UTEPMGUENDZPRC-JOYOIKCWSA-N 1 2 334.204 3.727 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)c2nnc[nH]2)cc1 ZINC000550629819 1033774748 /nfs/dbraw/zinc/77/47/48/1033774748.db2.gz YHISSEOTSNZJIJ-ASHXFPHZSA-N 1 2 340.446 3.695 20 0 EHADLO CC(C)c1csc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000108406869 1033793130 /nfs/dbraw/zinc/79/31/30/1033793130.db2.gz YXVCDGOEBTYKRG-UHFFFAOYSA-N 1 2 339.505 3.756 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608656854 1033820091 /nfs/dbraw/zinc/82/00/91/1033820091.db2.gz GSKXERAWSKPCPC-LPHOPBHVSA-N 1 2 329.488 3.612 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1SC(F)F ZINC000761111227 1033824358 /nfs/dbraw/zinc/82/43/58/1033824358.db2.gz XEBUNGWKSDIZLI-VIFPVBQESA-N 1 2 336.354 3.527 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1SC(F)F ZINC000761111227 1033824368 /nfs/dbraw/zinc/82/43/68/1033824368.db2.gz XEBUNGWKSDIZLI-VIFPVBQESA-N 1 2 336.354 3.527 20 0 EHADLO COC[C@H](CC1CCOCC1)[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000658011910 1033829804 /nfs/dbraw/zinc/82/98/04/1033829804.db2.gz DCAMANIYCUCTSF-INIZCTEOSA-N 1 2 347.833 3.853 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccc(F)cc1F ZINC000550662139 1033830437 /nfs/dbraw/zinc/83/04/37/1033830437.db2.gz RQFWVOZKLWMPAU-BONVTDFDSA-N 1 2 334.395 3.627 20 0 EHADLO COC(=O)CC1(C[N@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000595519239 1033839942 /nfs/dbraw/zinc/83/99/42/1033839942.db2.gz WBCDVQXFPCPKOK-LLVKDONJSA-N 1 2 335.835 3.552 20 0 EHADLO COC(=O)CC1(C[N@@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000595519239 1033839961 /nfs/dbraw/zinc/83/99/61/1033839961.db2.gz WBCDVQXFPCPKOK-LLVKDONJSA-N 1 2 335.835 3.552 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)NCC1CCC1 ZINC000595557672 1033861667 /nfs/dbraw/zinc/86/16/67/1033861667.db2.gz HBBPDBSKKHIDKB-UHFFFAOYSA-N 1 2 340.442 3.744 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)NCC1CCC1 ZINC000595557672 1033861686 /nfs/dbraw/zinc/86/16/86/1033861686.db2.gz HBBPDBSKKHIDKB-UHFFFAOYSA-N 1 2 340.442 3.744 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)o1 ZINC000575118209 1033864001 /nfs/dbraw/zinc/86/40/01/1033864001.db2.gz CIIXPROILVOYCM-GFCCVEGCSA-N 1 2 346.500 3.908 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(SC(F)F)cc1 ZINC001168309882 1033868168 /nfs/dbraw/zinc/86/81/68/1033868168.db2.gz PUVZOVTXLZZVCV-NWDGAFQWSA-N 1 2 348.365 3.527 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(SC(F)F)cc1 ZINC001168309882 1033868173 /nfs/dbraw/zinc/86/81/73/1033868173.db2.gz PUVZOVTXLZZVCV-NWDGAFQWSA-N 1 2 348.365 3.527 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046872871 1033869819 /nfs/dbraw/zinc/86/98/19/1033869819.db2.gz GNVVGHOGRBYFTG-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccccc1OC(F)(F)F ZINC000658099157 1033918239 /nfs/dbraw/zinc/91/82/39/1033918239.db2.gz UYVCQAMHWAZRKU-SCVCMEIPSA-N 1 2 326.322 3.533 20 0 EHADLO Cc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000055254530 1033939934 /nfs/dbraw/zinc/93/99/34/1033939934.db2.gz CDMSUJUCCPMFDU-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000595685811 1033947193 /nfs/dbraw/zinc/94/71/93/1033947193.db2.gz VWJCVVSUZSWKJX-LEWJYISDSA-N 1 2 344.414 3.628 20 0 EHADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000450256950 1033978678 /nfs/dbraw/zinc/97/86/78/1033978678.db2.gz SJFOFQSLTDYCHP-VYDXJSESSA-N 1 2 333.435 3.977 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(CCc3ccccc3)n2)cc1 ZINC000450245836 1033984392 /nfs/dbraw/zinc/98/43/92/1033984392.db2.gz PSVVFBDDSDFZAU-UHFFFAOYSA-N 1 2 335.451 3.766 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(CCc3ccccc3)n2)cc1 ZINC000450245836 1033984406 /nfs/dbraw/zinc/98/44/06/1033984406.db2.gz PSVVFBDDSDFZAU-UHFFFAOYSA-N 1 2 335.451 3.766 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000080613327 1033993458 /nfs/dbraw/zinc/99/34/58/1033993458.db2.gz UDNODYKLHRNAPE-MJGOQNOKSA-N 1 2 342.487 3.633 20 0 EHADLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(c2ccccc2)CCCC1 ZINC000120621704 1034004399 /nfs/dbraw/zinc/00/43/99/1034004399.db2.gz ADAHNSXQVANXGZ-LJQANCHMSA-N 1 2 336.435 3.573 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000603883212 1034006237 /nfs/dbraw/zinc/00/62/37/1034006237.db2.gz BAEUHHFNSZPJQA-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc2ccccc21 ZINC000603895320 1034017370 /nfs/dbraw/zinc/01/73/70/1034017370.db2.gz HIABCGVEKQKNET-UHFFFAOYSA-N 1 2 329.440 3.630 20 0 EHADLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc2ccccc21 ZINC000603895320 1034017379 /nfs/dbraw/zinc/01/73/79/1034017379.db2.gz HIABCGVEKQKNET-UHFFFAOYSA-N 1 2 329.440 3.630 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(F)c1 ZINC000101665997 1034026852 /nfs/dbraw/zinc/02/68/52/1034026852.db2.gz SKRQVMRTSSYXGL-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1ccccn1 ZINC000595913948 1034027902 /nfs/dbraw/zinc/02/79/02/1034027902.db2.gz BBVPIHGGMSKVBX-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccccn1 ZINC000595913948 1034027913 /nfs/dbraw/zinc/02/79/13/1034027913.db2.gz BBVPIHGGMSKVBX-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589818 1034029526 /nfs/dbraw/zinc/02/95/26/1034029526.db2.gz OCOHGFQKQNXIJC-IUODEOHRSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589818 1034029540 /nfs/dbraw/zinc/02/95/40/1034029540.db2.gz OCOHGFQKQNXIJC-IUODEOHRSA-N 1 2 336.501 3.820 20 0 EHADLO CCCc1nc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC000599594125 1034032267 /nfs/dbraw/zinc/03/22/67/1034032267.db2.gz FGTCJDDHKDKIQW-ZFWWWQNUSA-N 1 2 338.517 3.895 20 0 EHADLO CCCc1nc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC000599594125 1034032276 /nfs/dbraw/zinc/03/22/76/1034032276.db2.gz FGTCJDDHKDKIQW-ZFWWWQNUSA-N 1 2 338.517 3.895 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000056817573 1034047926 /nfs/dbraw/zinc/04/79/26/1034047926.db2.gz AHIKAGDCRMNXNP-APWZRJJASA-N 1 2 340.471 3.557 20 0 EHADLO NC(=O)CC[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450299161 1034054094 /nfs/dbraw/zinc/05/40/94/1034054094.db2.gz ACRBTCDUGYPFOX-NSHDSACASA-N 1 2 335.810 3.509 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2F)[C@H]1c1cccc(F)c1 ZINC000472359244 1034058472 /nfs/dbraw/zinc/05/84/72/1034058472.db2.gz KXHZZLDRIVYCKZ-BFUOFWGJSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)[C@H]1c1cccc(F)c1 ZINC000472359244 1034058488 /nfs/dbraw/zinc/05/84/88/1034058488.db2.gz KXHZZLDRIVYCKZ-BFUOFWGJSA-N 1 2 330.378 3.986 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000118970323 1034066681 /nfs/dbraw/zinc/06/66/81/1034066681.db2.gz RXBHQHGPRRQWQM-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000118970323 1034066697 /nfs/dbraw/zinc/06/66/97/1034066697.db2.gz RXBHQHGPRRQWQM-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCOC2=O)cc1 ZINC000179285858 1034089445 /nfs/dbraw/zinc/08/94/45/1034089445.db2.gz DWMFSARKBYMNFU-ZDUSSCGKSA-N 1 2 336.395 3.703 20 0 EHADLO Brc1sccc1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529524605 1034134591 /nfs/dbraw/zinc/13/45/91/1034134591.db2.gz GSSIIOLNQMWWSP-LLVKDONJSA-N 1 2 326.263 3.613 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ncc(Br)s1 ZINC000658235415 1034103124 /nfs/dbraw/zinc/10/31/24/1034103124.db2.gz DEIPFWAVMMAJEQ-QPUJVOFHSA-N 1 2 339.258 3.949 20 0 EHADLO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)c(Cl)c3)CCN12 ZINC000529527832 1034107718 /nfs/dbraw/zinc/10/77/18/1034107718.db2.gz FZPFJWYOZOHSGV-KRWDZBQOSA-N 1 2 340.854 3.814 20 0 EHADLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)c(Cl)c3)CCN12 ZINC000529527832 1034107722 /nfs/dbraw/zinc/10/77/22/1034107722.db2.gz FZPFJWYOZOHSGV-KRWDZBQOSA-N 1 2 340.854 3.814 20 0 EHADLO CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1c(F)cccc1F ZINC000537614493 1034129415 /nfs/dbraw/zinc/12/94/15/1034129415.db2.gz YAJCLMCCZNSNNR-UHFFFAOYSA-N 1 2 346.356 3.707 20 0 EHADLO CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1c(F)cccc1F ZINC000537614493 1034129424 /nfs/dbraw/zinc/12/94/24/1034129424.db2.gz YAJCLMCCZNSNNR-UHFFFAOYSA-N 1 2 346.356 3.707 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529557375 1034195618 /nfs/dbraw/zinc/19/56/18/1034195618.db2.gz MONBHLBJSGXJRQ-AWEZNQCLSA-N 1 2 335.391 3.537 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529557375 1034195623 /nfs/dbraw/zinc/19/56/23/1034195623.db2.gz MONBHLBJSGXJRQ-AWEZNQCLSA-N 1 2 335.391 3.537 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3c(C)cccc3Cl)CC2)oc1C ZINC000450360265 1034197924 /nfs/dbraw/zinc/19/79/24/1034197924.db2.gz ZFTXIKAEQGQFBE-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO c1cc(CSCC[C@@H]2CCCCO2)cc(C[NH+]2CCOCC2)c1 ZINC000596375867 1034211369 /nfs/dbraw/zinc/21/13/69/1034211369.db2.gz XSLUZLDHKJFJBT-IBGZPJMESA-N 1 2 335.513 3.711 20 0 EHADLO CC(C)[N@H+](Cc1cccnc1)Cc1ncc(Br)cc1F ZINC000529566085 1034216742 /nfs/dbraw/zinc/21/67/42/1034216742.db2.gz JHIBZZVVNUQRGY-UHFFFAOYSA-N 1 2 338.224 3.789 20 0 EHADLO CC(C)[N@@H+](Cc1cccnc1)Cc1ncc(Br)cc1F ZINC000529566085 1034216749 /nfs/dbraw/zinc/21/67/49/1034216749.db2.gz JHIBZZVVNUQRGY-UHFFFAOYSA-N 1 2 338.224 3.789 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529566187 1034218354 /nfs/dbraw/zinc/21/83/54/1034218354.db2.gz KUISVLDWFTUROK-OAHLLOKOSA-N 1 2 338.224 3.961 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529566187 1034218367 /nfs/dbraw/zinc/21/83/67/1034218367.db2.gz KUISVLDWFTUROK-OAHLLOKOSA-N 1 2 338.224 3.961 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1nc2ccccc2n1C(F)F ZINC000534242181 1034284769 /nfs/dbraw/zinc/28/47/69/1034284769.db2.gz GODFGENHGQDLPW-NSHDSACASA-N 1 2 341.365 3.913 20 0 EHADLO CC(C)SCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614404 1034323769 /nfs/dbraw/zinc/32/37/69/1034323769.db2.gz QLEVBJNNAOOBSW-ZBFHGGJFSA-N 1 2 347.484 3.673 20 0 EHADLO CC(C)SCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614404 1034323779 /nfs/dbraw/zinc/32/37/79/1034323779.db2.gz QLEVBJNNAOOBSW-ZBFHGGJFSA-N 1 2 347.484 3.673 20 0 EHADLO Fc1cc2[nH+]ccc(NCC[C@H]3CCOC3)c2cc1Br ZINC000450443397 1034338480 /nfs/dbraw/zinc/33/84/80/1034338480.db2.gz VXOUMMVAXZKYOV-JTQLQIEISA-N 1 2 339.208 3.975 20 0 EHADLO COc1ccc(-c2ncc(C(=O)Nc3cc(C)[nH+]cc3C)s2)cc1 ZINC000534299294 1034355447 /nfs/dbraw/zinc/35/54/47/1034355447.db2.gz RCXVPLLGPPDBHK-UHFFFAOYSA-N 1 2 339.420 3.505 20 0 EHADLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1-c1cccc(Cl)c1 ZINC000534300356 1034358324 /nfs/dbraw/zinc/35/83/24/1034358324.db2.gz VMLPSKBLVDPLQD-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3ccccc3F)n2)c(C)c[nH+]1 ZINC000534300316 1034359857 /nfs/dbraw/zinc/35/98/57/1034359857.db2.gz YOCUDSLMGBXVAR-UHFFFAOYSA-N 1 2 327.384 3.635 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H](c2ccsc2)O1 ZINC000121042823 1034360075 /nfs/dbraw/zinc/36/00/75/1034360075.db2.gz JDILDMUWUQMWQZ-HNAYVOBHSA-N 1 2 339.464 3.896 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H](c2ccsc2)O1 ZINC000121042823 1034360084 /nfs/dbraw/zinc/36/00/84/1034360084.db2.gz JDILDMUWUQMWQZ-HNAYVOBHSA-N 1 2 339.464 3.896 20 0 EHADLO CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1cccc(O)c1 ZINC000450475124 1034392155 /nfs/dbraw/zinc/39/21/55/1034392155.db2.gz VQUFCQXNLCSRMY-LBPRGKRZSA-N 1 2 327.350 3.734 20 0 EHADLO CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1cccc(O)c1 ZINC000450475124 1034392169 /nfs/dbraw/zinc/39/21/69/1034392169.db2.gz VQUFCQXNLCSRMY-LBPRGKRZSA-N 1 2 327.350 3.734 20 0 EHADLO CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(C)[nH+]cc2C)C12CCCCC2 ZINC000534324133 1034398011 /nfs/dbraw/zinc/39/80/11/1034398011.db2.gz RHXZKHQXPUCXDN-ROUUACIJSA-N 1 2 345.487 3.712 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H](c2ccccc2)O1 ZINC000534349191 1034421451 /nfs/dbraw/zinc/42/14/51/1034421451.db2.gz PEMPAPPIBRZHPN-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H](c2ccccc2)O1 ZINC000534349191 1034421464 /nfs/dbraw/zinc/42/14/64/1034421464.db2.gz PEMPAPPIBRZHPN-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000604630981 1034440759 /nfs/dbraw/zinc/44/07/59/1034440759.db2.gz SDCIPIJBESBMHI-RDJZCZTQSA-N 1 2 334.508 3.956 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000302962910 1034463866 /nfs/dbraw/zinc/46/38/66/1034463866.db2.gz FALKLEUBPKVKRS-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C ZINC000302995612 1034483768 /nfs/dbraw/zinc/48/37/68/1034483768.db2.gz SWRIBVFGOJEMOP-UHFFFAOYSA-N 1 2 334.504 3.835 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000456488542 1034495512 /nfs/dbraw/zinc/49/55/12/1034495512.db2.gz VZEGQYSOYGVOSK-GDBMZVCRSA-N 1 2 331.847 3.997 20 0 EHADLO Cc1cc(N2CCC(CN3CCc4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC000604756765 1034498787 /nfs/dbraw/zinc/49/87/87/1034498787.db2.gz WCAQQVCINUVQTM-UHFFFAOYSA-N 1 2 348.494 3.942 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023666479 1034501396 /nfs/dbraw/zinc/50/13/96/1034501396.db2.gz ZWBAEUYNEZXKGA-ZDUSSCGKSA-N 1 2 348.393 3.913 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023666479 1034501402 /nfs/dbraw/zinc/50/14/02/1034501402.db2.gz ZWBAEUYNEZXKGA-ZDUSSCGKSA-N 1 2 348.393 3.913 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1c1cc(N2CCCC2)nc[nH+]1 ZINC000450573685 1034535237 /nfs/dbraw/zinc/53/52/37/1034535237.db2.gz XBUNSWXPNUIIJH-YNEHKIRRSA-N 1 2 328.382 3.633 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1c1cc(N2CCCC2)[nH+]cn1 ZINC000450573685 1034535228 /nfs/dbraw/zinc/53/52/28/1034535228.db2.gz XBUNSWXPNUIIJH-YNEHKIRRSA-N 1 2 328.382 3.633 20 0 EHADLO CCCC[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000604935913 1034554435 /nfs/dbraw/zinc/55/44/35/1034554435.db2.gz UPFMYXAAHGIKMJ-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO CCCC[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000604935913 1034554444 /nfs/dbraw/zinc/55/44/44/1034554444.db2.gz UPFMYXAAHGIKMJ-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO Cc1ccnc([C@H](C)[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000375801456 1034556195 /nfs/dbraw/zinc/55/61/95/1034556195.db2.gz KJPJXYVAVGUTAL-YOEHRIQHSA-N 1 2 337.427 3.883 20 0 EHADLO FC(F)(F)c1ccccc1C1=CC[N@H+](Cc2cnns2)CC1 ZINC000450589604 1034560768 /nfs/dbraw/zinc/56/07/68/1034560768.db2.gz DEVWRUAAKIRLPG-UHFFFAOYSA-N 1 2 325.359 3.846 20 0 EHADLO FC(F)(F)c1ccccc1C1=CC[N@@H+](Cc2cnns2)CC1 ZINC000450589604 1034560777 /nfs/dbraw/zinc/56/07/77/1034560777.db2.gz DEVWRUAAKIRLPG-UHFFFAOYSA-N 1 2 325.359 3.846 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456583280 1034576796 /nfs/dbraw/zinc/57/67/96/1034576796.db2.gz ZZANLOZRPYYHBP-SFHVURJKSA-N 1 2 333.391 3.833 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)no1 ZINC000605000310 1034585225 /nfs/dbraw/zinc/58/52/25/1034585225.db2.gz GHMHYGNXPFZWIF-MRXNPFEDSA-N 1 2 347.846 3.614 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)no1 ZINC000605000310 1034585239 /nfs/dbraw/zinc/58/52/39/1034585239.db2.gz GHMHYGNXPFZWIF-MRXNPFEDSA-N 1 2 347.846 3.614 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121255662 1034601205 /nfs/dbraw/zinc/60/12/05/1034601205.db2.gz PQZJMBBLWNMLMI-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO CCCOc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121255662 1034601216 /nfs/dbraw/zinc/60/12/16/1034601216.db2.gz PQZJMBBLWNMLMI-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605085062 1034622715 /nfs/dbraw/zinc/62/27/15/1034622715.db2.gz GZKNYYPXIYNXML-UHFFFAOYSA-N 1 2 349.434 3.805 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(\C)c2cccc(F)c2)c1C ZINC000171768321 1034623465 /nfs/dbraw/zinc/62/34/65/1034623465.db2.gz HFAGTDOYIJIHIC-UKTHLTGXSA-N 1 2 342.414 3.908 20 0 EHADLO C[C@H](CCC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000534530169 1034647169 /nfs/dbraw/zinc/64/71/69/1034647169.db2.gz RZIXSOSWTRMERL-QGZVFWFLSA-N 1 2 342.508 3.976 20 0 EHADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000456667677 1034648305 /nfs/dbraw/zinc/64/83/05/1034648305.db2.gz UOYIKGXLKPADLK-LJQANCHMSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155978 1034654937 /nfs/dbraw/zinc/65/49/37/1034654937.db2.gz FZWJESJVZVASLP-KDOFPFPSSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155978 1034654952 /nfs/dbraw/zinc/65/49/52/1034654952.db2.gz FZWJESJVZVASLP-KDOFPFPSSA-N 1 2 344.455 3.943 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000456787168 1034731015 /nfs/dbraw/zinc/73/10/15/1034731015.db2.gz XSZDYCCWDCRJAM-FHWLQOOXSA-N 1 2 337.467 3.536 20 0 EHADLO COc1cccc(Cl)c1C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000548915690 1034758728 /nfs/dbraw/zinc/75/87/28/1034758728.db2.gz HMYCBNFTOHGUTL-QGZVFWFLSA-N 1 2 344.846 3.878 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c[nH+]1 ZINC000456843356 1034762723 /nfs/dbraw/zinc/76/27/23/1034762723.db2.gz QGURDTLEKULIGN-UHFFFAOYSA-N 1 2 348.406 3.556 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC000450757130 1034778963 /nfs/dbraw/zinc/77/89/63/1034778963.db2.gz KTDSONATFZAZSB-SFHVURJKSA-N 1 2 334.423 3.777 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC000450757130 1034778978 /nfs/dbraw/zinc/77/89/78/1034778978.db2.gz KTDSONATFZAZSB-SFHVURJKSA-N 1 2 334.423 3.777 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)s1 ZINC000450760058 1034780035 /nfs/dbraw/zinc/78/00/35/1034780035.db2.gz QHJDATHDYJXKFK-SFHVURJKSA-N 1 2 329.469 3.683 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)s1 ZINC000450760058 1034780043 /nfs/dbraw/zinc/78/00/43/1034780043.db2.gz QHJDATHDYJXKFK-SFHVURJKSA-N 1 2 329.469 3.683 20 0 EHADLO Cc1onc(-c2ccccc2C)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456836144 1034780209 /nfs/dbraw/zinc/78/02/09/1034780209.db2.gz JIOLXMLRRAVEJT-UHFFFAOYSA-N 1 2 335.407 3.900 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCCC(=O)c2ccc(F)cc2)c[nH+]1 ZINC000456842412 1034789603 /nfs/dbraw/zinc/78/96/03/1034789603.db2.gz PFXCIMSIQPWCHQ-UHFFFAOYSA-N 1 2 342.414 3.897 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cs1 ZINC000605707909 1034821091 /nfs/dbraw/zinc/82/10/91/1034821091.db2.gz QYICRKOMDRBJHT-ZFWWWQNUSA-N 1 2 346.500 3.719 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)cs1 ZINC000605707909 1034821107 /nfs/dbraw/zinc/82/11/07/1034821107.db2.gz QYICRKOMDRBJHT-ZFWWWQNUSA-N 1 2 346.500 3.719 20 0 EHADLO CC(C)(C)OCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000349984169 1034845122 /nfs/dbraw/zinc/84/51/22/1034845122.db2.gz WNVHNHKGCFETIY-UHFFFAOYSA-N 1 2 340.427 3.729 20 0 EHADLO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000375931433 1034952152 /nfs/dbraw/zinc/95/21/52/1034952152.db2.gz LBLNIYSYZJZJKT-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000375931433 1034952160 /nfs/dbraw/zinc/95/21/60/1034952160.db2.gz LBLNIYSYZJZJKT-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000628272472 1035033974 /nfs/dbraw/zinc/03/39/74/1035033974.db2.gz OWXDBCROUMKXOJ-VHSXEESVSA-N 1 2 347.324 3.760 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000628272472 1035033982 /nfs/dbraw/zinc/03/39/82/1035033982.db2.gz OWXDBCROUMKXOJ-VHSXEESVSA-N 1 2 347.324 3.760 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511394725 1035294795 /nfs/dbraw/zinc/29/47/95/1035294795.db2.gz AJBLQUQFJITBJH-ROUUACIJSA-N 1 2 344.503 3.661 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000613005075 1035350544 /nfs/dbraw/zinc/35/05/44/1035350544.db2.gz KFXBQSYPJNZFEV-LLVKDONJSA-N 1 2 345.855 3.918 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)n2)cc1OCCC ZINC000924563351 1035355448 /nfs/dbraw/zinc/35/54/48/1035355448.db2.gz KBQDARLTXPBYBF-LSDHHAIUSA-N 1 2 346.475 3.805 20 0 EHADLO CCC(CC)CCCN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658852367 1035374403 /nfs/dbraw/zinc/37/44/03/1035374403.db2.gz TUGMYHYPUPFRSV-UHFFFAOYSA-N 1 2 333.476 3.620 20 0 EHADLO Cc1ccc(Br)c(O[C@H]2CC[NH2+]CC2(F)F)c1Cl ZINC001218012271 1035378025 /nfs/dbraw/zinc/37/80/25/1035378025.db2.gz NIVBITJRAJNLCH-VIFPVBQESA-N 1 2 340.595 3.787 20 0 EHADLO CSc1ccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)s1 ZINC000685843739 1035394222 /nfs/dbraw/zinc/39/42/22/1035394222.db2.gz LUDKMDCHADURMD-UHFFFAOYSA-N 1 2 348.541 3.706 20 0 EHADLO CCCSC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000892528355 1035428573 /nfs/dbraw/zinc/42/85/73/1035428573.db2.gz VDBLZWYLMRUWBD-RHSMWYFYSA-N 1 2 333.501 3.639 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000414069933 1035435843 /nfs/dbraw/zinc/43/58/43/1035435843.db2.gz CAPBRYKWNQMGDV-RISCZKNCSA-N 1 2 346.452 3.667 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000177936432 1035454286 /nfs/dbraw/zinc/45/42/86/1035454286.db2.gz PCHICZDAIYHGHS-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000177936432 1035454289 /nfs/dbraw/zinc/45/42/89/1035454289.db2.gz PCHICZDAIYHGHS-UHFFFAOYSA-N 1 2 331.489 3.574 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)s1 ZINC000414079417 1035455713 /nfs/dbraw/zinc/45/57/13/1035455713.db2.gz CDQWCBLOCGJEKZ-JSGCOSHPSA-N 1 2 333.457 3.681 20 0 EHADLO Cc1csc(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)n1 ZINC000571565961 1035559309 /nfs/dbraw/zinc/55/93/09/1035559309.db2.gz LVUCYTVIGHFJLD-IHWYPQMZSA-N 1 2 335.423 3.565 20 0 EHADLO Cn1cc(C[C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)cn1 ZINC000571612442 1035567703 /nfs/dbraw/zinc/56/77/03/1035567703.db2.gz GQYMFUDIYZMSOA-GFCCVEGCSA-N 1 2 344.821 3.830 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cn(C)nc1C(C)(C)C ZINC000463523665 1035583147 /nfs/dbraw/zinc/58/31/47/1035583147.db2.gz OEIZXHYWPNLVIS-UHFFFAOYSA-N 1 2 345.878 3.775 20 0 EHADLO CCn1cc(CNc2[nH+]c3ccccc3n2Cc2ccccc2C)cn1 ZINC000463514594 1035593770 /nfs/dbraw/zinc/59/37/70/1035593770.db2.gz CYKAQYPQKXIUIV-UHFFFAOYSA-N 1 2 345.450 3.643 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000534811027 1035617514 /nfs/dbraw/zinc/61/75/14/1035617514.db2.gz LFODDQMMRLAUTA-UHFFFAOYSA-N 1 2 328.412 3.604 20 0 EHADLO Cc1cccc2nc(C[NH2+]C(C)(C)c3nc4ccccc4n3C)cn21 ZINC000186563377 1035660867 /nfs/dbraw/zinc/66/08/67/1035660867.db2.gz HQSCJXVNOYPPAX-UHFFFAOYSA-N 1 2 333.439 3.554 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCCC[C@H]1c1ccccc1 ZINC000540811529 1035703063 /nfs/dbraw/zinc/70/30/63/1035703063.db2.gz QZJKOXDJSKBGDN-SFHVURJKSA-N 1 2 338.455 3.820 20 0 EHADLO c1csc(-c2cc(C[NH+]3CCC(Nc4ccccn4)CC3)no2)c1 ZINC000534861890 1035721248 /nfs/dbraw/zinc/72/12/48/1035721248.db2.gz XOGLTAYHXDAGMZ-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO CC(C)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC(C)(C)C1 ZINC000457076329 1035722281 /nfs/dbraw/zinc/72/22/81/1035722281.db2.gz PNVNBIJMCFLKEA-UHFFFAOYSA-N 1 2 325.456 3.971 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(COC)c1 ZINC000534914074 1035752857 /nfs/dbraw/zinc/75/28/57/1035752857.db2.gz DDBUMKQBEAYDAP-HXUWFJFHSA-N 1 2 341.451 3.959 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(COC)c1 ZINC000534914074 1035752873 /nfs/dbraw/zinc/75/28/73/1035752873.db2.gz DDBUMKQBEAYDAP-HXUWFJFHSA-N 1 2 341.451 3.959 20 0 EHADLO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1Br ZINC000174012101 1035755463 /nfs/dbraw/zinc/75/54/63/1035755463.db2.gz CHDCXWCGWIJXGF-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000174012101 1035755478 /nfs/dbraw/zinc/75/54/78/1035755478.db2.gz CHDCXWCGWIJXGF-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)NCc1ccco1 ZINC000174037994 1035763277 /nfs/dbraw/zinc/76/32/77/1035763277.db2.gz FQYDTSHTEBIYGN-OAQYLSRUSA-N 1 2 346.430 3.695 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)NCc1ccco1 ZINC000174037994 1035763295 /nfs/dbraw/zinc/76/32/95/1035763295.db2.gz FQYDTSHTEBIYGN-OAQYLSRUSA-N 1 2 346.430 3.695 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000666168466 1035767790 /nfs/dbraw/zinc/76/77/90/1035767790.db2.gz ZDEVRHSDNBXJNU-HZPDHXFCSA-N 1 2 348.406 3.695 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ccc(OC(F)F)cc2)c(C)[nH+]1 ZINC000187147759 1035770455 /nfs/dbraw/zinc/77/04/55/1035770455.db2.gz STGAPHYWHKUIJS-JOCHJYFZSA-N 1 2 325.380 3.749 20 0 EHADLO O=C(/C=C\c1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492424536 1035776859 /nfs/dbraw/zinc/77/68/59/1035776859.db2.gz ZWITVYOLEKORJM-YVMONPNESA-N 1 2 341.430 3.754 20 0 EHADLO COc1ccccc1-c1nnc(SCc2ccc(C)[nH+]c2C)n1C ZINC000187331071 1035792531 /nfs/dbraw/zinc/79/25/31/1035792531.db2.gz HEFPJQPPQHJKQC-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO CCn1c(C[NH2+][C@@H](CCOC)c2ccc(C)o2)nc2ccccc21 ZINC000540916644 1035807577 /nfs/dbraw/zinc/80/75/77/1035807577.db2.gz PNPXSILZONTZOW-INIZCTEOSA-N 1 2 327.428 3.825 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)s1 ZINC000414164431 1035841492 /nfs/dbraw/zinc/84/14/92/1035841492.db2.gz OGWGVTIZJNUCTE-NSHDSACASA-N 1 2 329.425 3.570 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000669273404 1035901622 /nfs/dbraw/zinc/90/16/22/1035901622.db2.gz ZFVFKZSYRVAPQC-LMMKCTJWSA-N 1 2 325.456 3.817 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457270547 1035910334 /nfs/dbraw/zinc/91/03/34/1035910334.db2.gz GBXAZLQPQVDKPP-MJGOQNOKSA-N 1 2 335.451 3.589 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)c1cccc(Cl)c1 ZINC000588360045 1035912846 /nfs/dbraw/zinc/91/28/46/1035912846.db2.gz RNCBKVZDRZCFNA-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccccc2-n2cccn2)c2ncc[nH]2)cc1 ZINC000188269969 1035924607 /nfs/dbraw/zinc/92/46/07/1035924607.db2.gz OGPODPOBQAFDIJ-IBGZPJMESA-N 1 2 347.397 3.614 20 0 EHADLO C[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccs1 ZINC000188751290 1035962327 /nfs/dbraw/zinc/96/23/27/1035962327.db2.gz KLINFWOHKHSUAC-CYBMUJFWSA-N 1 2 348.899 3.680 20 0 EHADLO C[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccs1 ZINC000188751290 1035962349 /nfs/dbraw/zinc/96/23/49/1035962349.db2.gz KLINFWOHKHSUAC-CYBMUJFWSA-N 1 2 348.899 3.680 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000913946141 1035984126 /nfs/dbraw/zinc/98/41/26/1035984126.db2.gz JPOBXHXKDNZXAH-HNNXBMFYSA-N 1 2 338.455 3.829 20 0 EHADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000332708898 1035996150 /nfs/dbraw/zinc/99/61/50/1035996150.db2.gz JSRKEEWHBKMVAS-FDPIWHGQSA-N 1 2 338.455 3.600 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572106428 1035996342 /nfs/dbraw/zinc/99/63/42/1035996342.db2.gz MBTSHCAIRYYGQI-GUYCJALGSA-N 1 2 347.846 3.671 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cnn2ccccc12 ZINC000535078205 1036003686 /nfs/dbraw/zinc/00/36/86/1036003686.db2.gz QEZDBYQKOKPSEB-FQEVSTJZSA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cnn2ccccc12 ZINC000535078205 1036003705 /nfs/dbraw/zinc/00/37/05/1036003705.db2.gz QEZDBYQKOKPSEB-FQEVSTJZSA-N 1 2 345.450 3.948 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000613484350 1036038567 /nfs/dbraw/zinc/03/85/67/1036038567.db2.gz ABRFDGKWPJCJJR-JTDSTZFVSA-N 1 2 344.499 3.601 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000613484350 1036038584 /nfs/dbraw/zinc/03/85/84/1036038584.db2.gz ABRFDGKWPJCJJR-JTDSTZFVSA-N 1 2 344.499 3.601 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1 ZINC000613486071 1036048474 /nfs/dbraw/zinc/04/84/74/1036048474.db2.gz RGAFFVTURKSAKQ-OAHLLOKOSA-N 1 2 339.439 3.766 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1 ZINC000613486071 1036048493 /nfs/dbraw/zinc/04/84/93/1036048493.db2.gz RGAFFVTURKSAKQ-OAHLLOKOSA-N 1 2 339.439 3.766 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164287 1036053631 /nfs/dbraw/zinc/05/36/31/1036053631.db2.gz QGUXDPQQWSMOOQ-NVXWUHKLSA-N 1 2 342.405 3.792 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164287 1036053648 /nfs/dbraw/zinc/05/36/48/1036053648.db2.gz QGUXDPQQWSMOOQ-NVXWUHKLSA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000457393112 1036055969 /nfs/dbraw/zinc/05/59/69/1036055969.db2.gz RYXPKZHLROSVEU-UXHZXRBQSA-N 1 2 336.426 3.525 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000457469225 1036130480 /nfs/dbraw/zinc/13/04/80/1036130480.db2.gz OELPTFDXFSGJGN-CYBMUJFWSA-N 1 2 337.370 3.582 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@H](O)C(F)(F)F ZINC000189878467 1036141082 /nfs/dbraw/zinc/14/10/82/1036141082.db2.gz BIEDSKLCXJXIRM-INIZCTEOSA-N 1 2 342.336 3.633 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@H](O)C(F)(F)F ZINC000189878467 1036141090 /nfs/dbraw/zinc/14/10/90/1036141090.db2.gz BIEDSKLCXJXIRM-INIZCTEOSA-N 1 2 342.336 3.633 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnc4onc(C(C)(C)C)c4c3)ccc2[nH+]1 ZINC000588857666 1036146568 /nfs/dbraw/zinc/14/65/68/1036146568.db2.gz HPDGELPBHFUXLD-UHFFFAOYSA-N 1 2 349.394 3.729 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000457480517 1036152883 /nfs/dbraw/zinc/15/28/83/1036152883.db2.gz JHZWBNJSIOGJPS-NEPJUHHUSA-N 1 2 345.459 3.995 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000457480517 1036152889 /nfs/dbraw/zinc/15/28/89/1036152889.db2.gz JHZWBNJSIOGJPS-NEPJUHHUSA-N 1 2 345.459 3.995 20 0 EHADLO C[C@H]1CCC(C)(C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000913993877 1036190293 /nfs/dbraw/zinc/19/02/93/1036190293.db2.gz NBHVTBCJVGFMCK-HNNXBMFYSA-N 1 2 330.476 3.544 20 0 EHADLO CC[C@@H](C[N@H+](C)Cc1nnc(C)o1)Oc1ccc(Cl)c(Cl)c1 ZINC000190380068 1036232171 /nfs/dbraw/zinc/23/21/71/1036232171.db2.gz PSMVKUBBCJOUTO-NSHDSACASA-N 1 2 344.242 3.974 20 0 EHADLO CC[C@@H](C[N@@H+](C)Cc1nnc(C)o1)Oc1ccc(Cl)c(Cl)c1 ZINC000190380068 1036232185 /nfs/dbraw/zinc/23/21/85/1036232185.db2.gz PSMVKUBBCJOUTO-NSHDSACASA-N 1 2 344.242 3.974 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(F)cc1Cl ZINC000414241047 1036235876 /nfs/dbraw/zinc/23/58/76/1036235876.db2.gz NZOBWVLMWBOMOB-NSHDSACASA-N 1 2 341.835 3.733 20 0 EHADLO COc1ccnc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1OC ZINC000190582536 1036251203 /nfs/dbraw/zinc/25/12/03/1036251203.db2.gz XZQYRKFFVIRTQB-RDTXWAMCSA-N 1 2 344.480 3.777 20 0 EHADLO COc1ccnc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1OC ZINC000190582536 1036251221 /nfs/dbraw/zinc/25/12/21/1036251221.db2.gz XZQYRKFFVIRTQB-RDTXWAMCSA-N 1 2 344.480 3.777 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457560146 1036257139 /nfs/dbraw/zinc/25/71/39/1036257139.db2.gz ROJLWVOQSZWERV-UHFFFAOYSA-N 1 2 328.460 3.555 20 0 EHADLO C[C@H](CNC(=O)C(C)(C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000457588383 1036285477 /nfs/dbraw/zinc/28/54/77/1036285477.db2.gz WTBHXPUMQXLIMI-CQSZACIVSA-N 1 2 333.863 3.558 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1ccc(C(N)=O)cc1 ZINC000190887464 1036289484 /nfs/dbraw/zinc/28/94/84/1036289484.db2.gz JQPHIFHEPSVYTQ-UHFFFAOYSA-N 1 2 337.448 3.713 20 0 EHADLO CC(C)C[C@@]1(C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457591292 1036289625 /nfs/dbraw/zinc/28/96/25/1036289625.db2.gz FDIHZWATXCVJJQ-HXUWFJFHSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892584581 1036309323 /nfs/dbraw/zinc/30/93/23/1036309323.db2.gz MNGLZPBSNGJBHH-MRXNPFEDSA-N 1 2 340.475 3.609 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C(C)C ZINC000457596266 1036309836 /nfs/dbraw/zinc/30/98/36/1036309836.db2.gz JOVVUXOIALPOJS-HKUYNNGSSA-N 1 2 344.503 3.504 20 0 EHADLO Cn1cc([C@H]2CSCC[N@@H+]2CCc2c(F)cccc2Cl)cn1 ZINC000191172718 1036323239 /nfs/dbraw/zinc/32/32/39/1036323239.db2.gz NHAWIRCDTYKULX-MRXNPFEDSA-N 1 2 339.867 3.545 20 0 EHADLO Cn1cc([C@H]2CSCC[N@H+]2CCc2c(F)cccc2Cl)cn1 ZINC000191172718 1036323260 /nfs/dbraw/zinc/32/32/60/1036323260.db2.gz NHAWIRCDTYKULX-MRXNPFEDSA-N 1 2 339.867 3.545 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCCO2 ZINC000414264277 1036334344 /nfs/dbraw/zinc/33/43/44/1036334344.db2.gz UDODWBQCJMSKSZ-ZDUSSCGKSA-N 1 2 337.345 3.807 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccccc1OC(C)C ZINC000464341677 1036343562 /nfs/dbraw/zinc/34/35/62/1036343562.db2.gz YKBUVSBNRGWTPQ-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343830501 1036344298 /nfs/dbraw/zinc/34/42/98/1036344298.db2.gz BNPCHYXBAZMHGW-RKDXNWHRSA-N 1 2 336.404 3.916 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2sc3c(cccc3Cl)c2C)CCO1 ZINC000508648218 1036345337 /nfs/dbraw/zinc/34/53/37/1036345337.db2.gz BVKGMKMFGZNAHM-LBPRGKRZSA-N 1 2 325.861 3.710 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2sc3c(cccc3Cl)c2C)CCO1 ZINC000508648218 1036345358 /nfs/dbraw/zinc/34/53/58/1036345358.db2.gz BVKGMKMFGZNAHM-LBPRGKRZSA-N 1 2 325.861 3.710 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492838801 1036355792 /nfs/dbraw/zinc/35/57/92/1036355792.db2.gz KUAGCNWGRQWCFE-XBXARRHUSA-N 1 2 338.798 3.632 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C2CCC2)c(C)c1 ZINC000457675988 1036383603 /nfs/dbraw/zinc/38/36/03/1036383603.db2.gz XTCNZBRYYNREDO-LPHOPBHVSA-N 1 2 325.456 3.794 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000175563383 1036407784 /nfs/dbraw/zinc/40/77/84/1036407784.db2.gz FACHXSHGXPVTEQ-INIZCTEOSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000457708035 1036424477 /nfs/dbraw/zinc/42/44/77/1036424477.db2.gz KCAYYRZUZVVRBI-OAHLLOKOSA-N 1 2 327.419 3.583 20 0 EHADLO Fc1ccc(Br)cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102409572 1036445288 /nfs/dbraw/zinc/44/52/88/1036445288.db2.gz QQFFNGMTEVJKIA-AWEZNQCLSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1ccc(Br)cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102409572 1036445299 /nfs/dbraw/zinc/44/52/99/1036445299.db2.gz QQFFNGMTEVJKIA-AWEZNQCLSA-N 1 2 338.224 3.622 20 0 EHADLO Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475365556 1036457222 /nfs/dbraw/zinc/45/72/22/1036457222.db2.gz ABABTHBIOZXCHZ-INIZCTEOSA-N 1 2 336.439 3.854 20 0 EHADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1nc(-c2cccs2)no1 ZINC000192355000 1036499791 /nfs/dbraw/zinc/49/97/91/1036499791.db2.gz UCVKLRBOHYIXRX-CYBMUJFWSA-N 1 2 327.409 3.671 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000064401594 1036530580 /nfs/dbraw/zinc/53/05/80/1036530580.db2.gz FEHKGZZJYYKRKX-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000064401594 1036530604 /nfs/dbraw/zinc/53/06/04/1036530604.db2.gz FEHKGZZJYYKRKX-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO CCc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589603368 1036544200 /nfs/dbraw/zinc/54/42/00/1036544200.db2.gz MVNQLHXRXAVLCS-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO CCc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589603368 1036544214 /nfs/dbraw/zinc/54/42/14/1036544214.db2.gz MVNQLHXRXAVLCS-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO Cc1cc(Br)c(C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000457849186 1036568960 /nfs/dbraw/zinc/56/89/60/1036568960.db2.gz RGYYRRAKDSAXFH-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457848670 1036571402 /nfs/dbraw/zinc/57/14/02/1036571402.db2.gz DKKLZPLMDDOZNY-UHFFFAOYSA-N 1 2 327.453 3.533 20 0 EHADLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000470909425 1036574523 /nfs/dbraw/zinc/57/45/23/1036574523.db2.gz RKZZCZOFOJOPTD-MEDUHNTESA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000470909425 1036574537 /nfs/dbraw/zinc/57/45/37/1036574537.db2.gz RKZZCZOFOJOPTD-MEDUHNTESA-N 1 2 345.270 3.821 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)no1 ZINC000541704094 1036580196 /nfs/dbraw/zinc/58/01/96/1036580196.db2.gz YCEOTFWSKHVCDI-CRAIPNDOSA-N 1 2 349.434 3.623 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772361 1036760304 /nfs/dbraw/zinc/76/03/04/1036760304.db2.gz MNSLMMIWRUARDO-ABAIWWIYSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772361 1036760319 /nfs/dbraw/zinc/76/03/19/1036760319.db2.gz MNSLMMIWRUARDO-ABAIWWIYSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)(CCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000590163134 1036781403 /nfs/dbraw/zinc/78/14/03/1036781403.db2.gz GKHONISPZZIZIR-INIZCTEOSA-N 1 2 340.471 3.667 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cs1 ZINC000414341029 1036784112 /nfs/dbraw/zinc/78/41/12/1036784112.db2.gz NYVNYDNKMYSDRG-UHFFFAOYSA-N 1 2 330.432 3.629 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)C(C)(C)c3ccccc3)[nH+]c12 ZINC000590242596 1036806611 /nfs/dbraw/zinc/80/66/11/1036806611.db2.gz YBDVFCCGBPZHOD-MRXNPFEDSA-N 1 2 335.451 3.668 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)c(Br)c1 ZINC000464812259 1036819840 /nfs/dbraw/zinc/81/98/40/1036819840.db2.gz FBERPMXHIGLJAJ-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)c(Br)c1 ZINC000464812259 1036819862 /nfs/dbraw/zinc/81/98/62/1036819862.db2.gz FBERPMXHIGLJAJ-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000464817226 1036830004 /nfs/dbraw/zinc/83/00/04/1036830004.db2.gz GHZRTJCRPUZENY-NVXWUHKLSA-N 1 2 342.439 3.772 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc2ccccc2o1 ZINC000464817226 1036830025 /nfs/dbraw/zinc/83/00/25/1036830025.db2.gz GHZRTJCRPUZENY-NVXWUHKLSA-N 1 2 342.439 3.772 20 0 EHADLO O=C(C[NH+]1CCC(c2cccc(F)c2F)CC1)Nc1ccccc1F ZINC000572931936 1036919627 /nfs/dbraw/zinc/91/96/27/1036919627.db2.gz QJQBYPRAEHWCLW-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO CCn1c(CNc2[nH+]c3cc(Cl)ccc3n2C)nc2ccccc21 ZINC000539599525 1036951895 /nfs/dbraw/zinc/95/18/95/1036951895.db2.gz VAYBYJXYSLLKBM-UHFFFAOYSA-N 1 2 339.830 3.630 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OC(F)F)nn1C ZINC000282103484 1036961820 /nfs/dbraw/zinc/96/18/20/1036961820.db2.gz IRWMHLZWMCYMIX-JTQLQIEISA-N 1 2 329.778 3.834 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000024730339 1036963505 /nfs/dbraw/zinc/96/35/05/1036963505.db2.gz UIGIQCAIUHXPRF-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000024730339 1036963516 /nfs/dbraw/zinc/96/35/16/1036963516.db2.gz UIGIQCAIUHXPRF-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000539601305 1036982627 /nfs/dbraw/zinc/98/26/27/1036982627.db2.gz YVMRNFNXWVAHNF-LBPRGKRZSA-N 1 2 335.810 3.884 20 0 EHADLO C[C@H]([NH2+]Cc1oc2ccccc2c1Br)c1cnn(C)c1 ZINC000655741327 1037003824 /nfs/dbraw/zinc/00/38/24/1037003824.db2.gz HUQJNDULNKBGIY-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)nc1 ZINC000590696247 1037012369 /nfs/dbraw/zinc/01/23/69/1037012369.db2.gz WZFUVRHXYYVEII-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)nc1 ZINC000590696247 1037012387 /nfs/dbraw/zinc/01/23/87/1037012387.db2.gz WZFUVRHXYYVEII-ZDUSSCGKSA-N 1 2 328.387 3.517 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168453721 1037078664 /nfs/dbraw/zinc/07/86/64/1037078664.db2.gz GXWRAIMTYNHQRE-SCLBCKFNSA-N 1 2 349.833 3.784 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000590846915 1037081053 /nfs/dbraw/zinc/08/10/53/1037081053.db2.gz VWEPQDICWLYZDE-GOEBONIOSA-N 1 2 338.411 3.737 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCC(F)(F)F)c[nH+]1 ZINC000162967614 1037091134 /nfs/dbraw/zinc/09/11/34/1037091134.db2.gz QITZKACXKCIRHN-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590859943 1037103758 /nfs/dbraw/zinc/10/37/58/1037103758.db2.gz FEFQWBHNXRKLEK-RDJZCZTQSA-N 1 2 344.846 3.571 20 0 EHADLO CC(C)(CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590861989 1037106857 /nfs/dbraw/zinc/10/68/57/1037106857.db2.gz GYMWOHKEDKJPMX-GOSISDBHSA-N 1 2 340.471 3.598 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731748 1037132168 /nfs/dbraw/zinc/13/21/68/1037132168.db2.gz HXXGYXOZGAVHJX-HSMVNMDESA-N 1 2 342.405 3.619 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731748 1037132176 /nfs/dbraw/zinc/13/21/76/1037132176.db2.gz HXXGYXOZGAVHJX-HSMVNMDESA-N 1 2 342.405 3.619 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)C(=O)CC(C)(C)O4)ccn12 ZINC000573018782 1037158414 /nfs/dbraw/zinc/15/84/14/1037158414.db2.gz CWIIINJSNRSNJQ-UHFFFAOYSA-N 1 2 349.390 3.639 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000539825603 1037230719 /nfs/dbraw/zinc/23/07/19/1037230719.db2.gz QWUGYMMJMYEDRR-CQSZACIVSA-N 1 2 330.394 3.542 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000539827006 1037251770 /nfs/dbraw/zinc/25/17/70/1037251770.db2.gz PXYAXTCXSSIFRO-JOCHJYFZSA-N 1 2 347.462 3.813 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000539827006 1037251783 /nfs/dbraw/zinc/25/17/83/1037251783.db2.gz PXYAXTCXSSIFRO-JOCHJYFZSA-N 1 2 347.462 3.813 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000591160287 1037254928 /nfs/dbraw/zinc/25/49/28/1037254928.db2.gz RGWWCEPECGVVQU-UHFFFAOYSA-N 1 2 343.446 3.821 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470956504 1037256281 /nfs/dbraw/zinc/25/62/81/1037256281.db2.gz CPOHNGNGYMMPMN-OUCADQQQSA-N 1 2 339.361 3.994 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470956504 1037256288 /nfs/dbraw/zinc/25/62/88/1037256288.db2.gz CPOHNGNGYMMPMN-OUCADQQQSA-N 1 2 339.361 3.994 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCOc3ccccc3F)n2)cc1 ZINC000052687141 1037271296 /nfs/dbraw/zinc/27/12/96/1037271296.db2.gz UJXNSLYROUYIFD-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCOc3ccccc3F)n2)cc1 ZINC000052687141 1037271309 /nfs/dbraw/zinc/27/13/09/1037271309.db2.gz UJXNSLYROUYIFD-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493341711 1037282026 /nfs/dbraw/zinc/28/20/26/1037282026.db2.gz XJUKDRPJGYJTEG-OAGJVSPASA-N 1 2 349.438 3.717 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500878 1037283149 /nfs/dbraw/zinc/28/31/49/1037283149.db2.gz IUXOVMFXBYCHOD-GUYCJALGSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500878 1037283174 /nfs/dbraw/zinc/28/31/74/1037283174.db2.gz IUXOVMFXBYCHOD-GUYCJALGSA-N 1 2 338.386 3.854 20 0 EHADLO CCc1nnc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)o1 ZINC000170913859 1037314407 /nfs/dbraw/zinc/31/44/07/1037314407.db2.gz ZEAHQGJVAOYFSK-UHFFFAOYSA-N 1 2 336.233 3.564 20 0 EHADLO O=C(NCc1ccc(C2CC2)cc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000491284182 1037347953 /nfs/dbraw/zinc/34/79/53/1037347953.db2.gz OSSAMJSFNBAFFE-UHFFFAOYSA-N 1 2 342.418 3.515 20 0 EHADLO O=C(NCc1ccc(C2CC2)cc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000491284182 1037347975 /nfs/dbraw/zinc/34/79/75/1037347975.db2.gz OSSAMJSFNBAFFE-UHFFFAOYSA-N 1 2 342.418 3.515 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000025063777 1037364868 /nfs/dbraw/zinc/36/48/68/1037364868.db2.gz DVVUQTFUGDGVHH-GOSISDBHSA-N 1 2 348.393 3.823 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000025063777 1037364884 /nfs/dbraw/zinc/36/48/84/1037364884.db2.gz DVVUQTFUGDGVHH-GOSISDBHSA-N 1 2 348.393 3.823 20 0 EHADLO C(=C/c1ccccc1)\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000547003671 1037374037 /nfs/dbraw/zinc/37/40/37/1037374037.db2.gz YHAORNJRIOWBNY-ZHACJKMWSA-N 1 2 347.418 3.739 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000088536872 1037382164 /nfs/dbraw/zinc/38/21/64/1037382164.db2.gz BFYDBUJEPUBZRI-BBRMVZONSA-N 1 2 349.475 3.934 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000088536872 1037382181 /nfs/dbraw/zinc/38/21/81/1037382181.db2.gz BFYDBUJEPUBZRI-BBRMVZONSA-N 1 2 349.475 3.934 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)C[C@H]3CCCc4ccccc43)sc2C1 ZINC000170978640 1037396515 /nfs/dbraw/zinc/39/65/15/1037396515.db2.gz NHHDOWXHZKDTQN-CQSZACIVSA-N 1 2 341.480 3.580 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)C[C@H]3CCCc4ccccc43)sc2C1 ZINC000170978640 1037396519 /nfs/dbraw/zinc/39/65/19/1037396519.db2.gz NHHDOWXHZKDTQN-CQSZACIVSA-N 1 2 341.480 3.580 20 0 EHADLO C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1c(F)cccc1Cl ZINC000491361112 1037422448 /nfs/dbraw/zinc/42/24/48/1037422448.db2.gz OZWRWBGNPVCYJW-ZDUSSCGKSA-N 1 2 344.821 3.970 20 0 EHADLO CC(C)Oc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000491386692 1037424149 /nfs/dbraw/zinc/42/41/49/1037424149.db2.gz PZEDBPJNNLZXNT-YVMONPNESA-N 1 2 339.439 3.616 20 0 EHADLO Cc1cc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)ccc1Cl ZINC000462816935 1037437997 /nfs/dbraw/zinc/43/79/97/1037437997.db2.gz GFLXSJFJEHJOMO-QGZVFWFLSA-N 1 2 326.831 3.688 20 0 EHADLO CC(C)(C)OCCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000591495618 1037448884 /nfs/dbraw/zinc/44/88/84/1037448884.db2.gz DZUIRRJDMJKDFD-UHFFFAOYSA-N 1 2 337.529 3.957 20 0 EHADLO CCCOc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000491415425 1037464231 /nfs/dbraw/zinc/46/42/31/1037464231.db2.gz KMVQTXKQFNZUOW-YVMONPNESA-N 1 2 339.439 3.618 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491419754 1037467314 /nfs/dbraw/zinc/46/73/14/1037467314.db2.gz QTWFSOPKMZQYET-SNAWJCMRSA-N 1 2 349.356 3.848 20 0 EHADLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000669854666 1037472864 /nfs/dbraw/zinc/47/28/64/1037472864.db2.gz MEIUOIMSSZIWMF-AWEZNQCLSA-N 1 2 340.452 3.553 20 0 EHADLO CC(C)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000079775347 1037480953 /nfs/dbraw/zinc/48/09/53/1037480953.db2.gz YKUPWAUVDNKLGE-FQEVSTJZSA-N 1 2 333.435 3.928 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000462872836 1037500389 /nfs/dbraw/zinc/50/03/89/1037500389.db2.gz GKQCZGLHVNHPKL-XLIONFOSSA-N 1 2 338.455 3.618 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000462872836 1037500404 /nfs/dbraw/zinc/50/04/04/1037500404.db2.gz GKQCZGLHVNHPKL-XLIONFOSSA-N 1 2 338.455 3.618 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000462872830 1037500590 /nfs/dbraw/zinc/50/05/90/1037500590.db2.gz GKQCZGLHVNHPKL-PXNSSMCTSA-N 1 2 338.455 3.618 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000462872830 1037500603 /nfs/dbraw/zinc/50/06/03/1037500603.db2.gz GKQCZGLHVNHPKL-PXNSSMCTSA-N 1 2 338.455 3.618 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007639611 1037520349 /nfs/dbraw/zinc/52/03/49/1037520349.db2.gz OAFHTTQLXCMDMU-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007639611 1037520364 /nfs/dbraw/zinc/52/03/64/1037520364.db2.gz OAFHTTQLXCMDMU-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000532485963 1037523907 /nfs/dbraw/zinc/52/39/07/1037523907.db2.gz QRAKQQBDSDUZQC-FUHWJXTLSA-N 1 2 328.456 3.828 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000532485963 1037523917 /nfs/dbraw/zinc/52/39/17/1037523917.db2.gz QRAKQQBDSDUZQC-FUHWJXTLSA-N 1 2 328.456 3.828 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591590434 1037534305 /nfs/dbraw/zinc/53/43/05/1037534305.db2.gz HMJGOZQIEJIJKW-IRXDYDNUSA-N 1 2 332.492 3.932 20 0 EHADLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000613544749 1037537304 /nfs/dbraw/zinc/53/73/04/1037537304.db2.gz IKBXYBGDAHDUOT-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO C[N@H+](C[C@H]1CCCO1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000151693889 1037539905 /nfs/dbraw/zinc/53/99/05/1037539905.db2.gz VPQNMNNWLMVGKV-SNVBAGLBSA-N 1 2 340.798 3.958 20 0 EHADLO C[N@@H+](C[C@H]1CCCO1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000151693889 1037539916 /nfs/dbraw/zinc/53/99/16/1037539916.db2.gz VPQNMNNWLMVGKV-SNVBAGLBSA-N 1 2 340.798 3.958 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861772 1037576392 /nfs/dbraw/zinc/57/63/92/1037576392.db2.gz OFRKQGCQRMCDNN-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cncn2C)c2ccccc2Cl)cc1 ZINC000152907295 1037578937 /nfs/dbraw/zinc/57/89/37/1037578937.db2.gz ZMQHBPKMGVUXLC-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000493730827 1037586367 /nfs/dbraw/zinc/58/63/67/1037586367.db2.gz WTZVOHBXRJCCHE-BOPUHXCYSA-N 1 2 348.406 3.695 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000493737228 1037614099 /nfs/dbraw/zinc/61/40/99/1037614099.db2.gz GUNMWXSKQCINHW-VOTSOKGWSA-N 1 2 331.828 3.618 20 0 EHADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccsc3)n2)ccc1C ZINC000669937490 1037633264 /nfs/dbraw/zinc/63/32/64/1037633264.db2.gz ISOBKTKAPUIZGH-GFCCVEGCSA-N 1 2 329.425 3.966 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C(F)F ZINC000493826612 1037637142 /nfs/dbraw/zinc/63/71/42/1037637142.db2.gz RNUNZGRAWVVRRW-FSNWXROXSA-N 1 2 331.366 3.532 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)cc1 ZINC000025414611 1037640154 /nfs/dbraw/zinc/64/01/54/1037640154.db2.gz XADYMPKNYOBPQX-SFHVURJKSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)cc1 ZINC000025414611 1037640166 /nfs/dbraw/zinc/64/01/66/1037640166.db2.gz XADYMPKNYOBPQX-SFHVURJKSA-N 1 2 328.387 3.610 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2cncnc2)cc1 ZINC000573674553 1037659480 /nfs/dbraw/zinc/65/94/80/1037659480.db2.gz XUQZBDZLRRNJOM-NRFANRHFSA-N 1 2 330.435 3.630 20 0 EHADLO Cc1cccc(C)c1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463035693 1037672108 /nfs/dbraw/zinc/67/21/08/1037672108.db2.gz JAWQMHRLMZPNAO-QGZVFWFLSA-N 1 2 342.508 3.813 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000491828975 1037697530 /nfs/dbraw/zinc/69/75/30/1037697530.db2.gz WBTAXNZEEUZJMP-MQNTZWLQSA-N 1 2 341.455 3.670 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000491828974 1037697757 /nfs/dbraw/zinc/69/77/57/1037697757.db2.gz WBTAXNZEEUZJMP-DVQDXYAYSA-N 1 2 341.455 3.670 20 0 EHADLO COCOc1ccc(OC)cc1CNc1ccc([NH+](C)C)cc1C ZINC000163863102 1037837871 /nfs/dbraw/zinc/83/78/71/1037837871.db2.gz CZODATOBIAWCII-UHFFFAOYSA-N 1 2 330.428 3.664 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942821 1037841972 /nfs/dbraw/zinc/84/19/72/1037841972.db2.gz LWGGOMRTQYSHSM-PZJWPPBQSA-N 1 2 338.426 3.577 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942821 1037841995 /nfs/dbraw/zinc/84/19/95/1037841995.db2.gz LWGGOMRTQYSHSM-PZJWPPBQSA-N 1 2 338.426 3.577 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)n1 ZINC000592158049 1037847060 /nfs/dbraw/zinc/84/70/60/1037847060.db2.gz VJNINJRJKDQEOC-ZDUSSCGKSA-N 1 2 337.464 3.698 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000471007661 1037859885 /nfs/dbraw/zinc/85/98/85/1037859885.db2.gz QQLICBZIJUEMEF-UHFFFAOYSA-N 1 2 348.899 3.810 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000471007661 1037859896 /nfs/dbraw/zinc/85/98/96/1037859896.db2.gz QQLICBZIJUEMEF-UHFFFAOYSA-N 1 2 348.899 3.810 20 0 EHADLO C[N@H+](Cc1ccccc1F)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000303937574 1037878504 /nfs/dbraw/zinc/87/85/04/1037878504.db2.gz RYJJYNQCZMICPM-UHFFFAOYSA-N 1 2 339.313 3.788 20 0 EHADLO C[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000303937574 1037878517 /nfs/dbraw/zinc/87/85/17/1037878517.db2.gz RYJJYNQCZMICPM-UHFFFAOYSA-N 1 2 339.313 3.788 20 0 EHADLO CC(C)CC1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCC1 ZINC000119269560 1037889824 /nfs/dbraw/zinc/88/98/24/1037889824.db2.gz KYSZNZCJFMDELA-KRWDZBQOSA-N 1 2 331.504 3.808 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378109460 1037934446 /nfs/dbraw/zinc/93/44/46/1037934446.db2.gz JHOLZCYPHOGRMZ-UHFFFAOYSA-N 1 2 327.453 3.597 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000075767784 1037973811 /nfs/dbraw/zinc/97/38/11/1037973811.db2.gz ZNWZVLWKCYXFKS-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000075767784 1037973824 /nfs/dbraw/zinc/97/38/24/1037973824.db2.gz ZNWZVLWKCYXFKS-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO COC(=O)C[N@H+](CCCC1CCOCC1)Cc1ccc(Cl)cc1 ZINC000463308099 1038011713 /nfs/dbraw/zinc/01/17/13/1038011713.db2.gz ZWLRCKCCWOYXHV-UHFFFAOYSA-N 1 2 339.863 3.522 20 0 EHADLO COC(=O)C[N@@H+](CCCC1CCOCC1)Cc1ccc(Cl)cc1 ZINC000463308099 1038011738 /nfs/dbraw/zinc/01/17/38/1038011738.db2.gz ZWLRCKCCWOYXHV-UHFFFAOYSA-N 1 2 339.863 3.522 20 0 EHADLO CC(=O)Nc1ccccc1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000184310855 1038022871 /nfs/dbraw/zinc/02/28/71/1038022871.db2.gz XZKZQXQKNFLFRC-UHFFFAOYSA-N 1 2 328.803 3.797 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000188104867 1038063653 /nfs/dbraw/zinc/06/36/53/1038063653.db2.gz XMQIXWVXLVUBAO-MFKMUULPSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000188104867 1038063668 /nfs/dbraw/zinc/06/36/68/1038063668.db2.gz XMQIXWVXLVUBAO-MFKMUULPSA-N 1 2 346.254 3.633 20 0 EHADLO COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000106622483 1038158611 /nfs/dbraw/zinc/15/86/11/1038158611.db2.gz WPTXNIGDPCBAEM-OALUTQOASA-N 1 2 333.391 3.623 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000124856189 1038246485 /nfs/dbraw/zinc/24/64/85/1038246485.db2.gz VIQXFPHSLPTQCG-GOSISDBHSA-N 1 2 340.471 3.699 20 0 EHADLO CO[C@@H](Cc1ccccc1)c1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000651345705 1038290758 /nfs/dbraw/zinc/29/07/58/1038290758.db2.gz XYNHYGUSCHIJLL-KRWDZBQOSA-N 1 2 348.406 3.547 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000378278873 1038368377 /nfs/dbraw/zinc/36/83/77/1038368377.db2.gz CSOUPEZEZWEUAA-LJQANCHMSA-N 1 2 349.434 3.514 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000378278873 1038368388 /nfs/dbraw/zinc/36/83/88/1038368388.db2.gz CSOUPEZEZWEUAA-LJQANCHMSA-N 1 2 349.434 3.514 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000461379555 1038375707 /nfs/dbraw/zinc/37/57/07/1038375707.db2.gz PSYOTZQBQDBVNU-IBGZPJMESA-N 1 2 339.483 3.563 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000461379555 1038375717 /nfs/dbraw/zinc/37/57/17/1038375717.db2.gz PSYOTZQBQDBVNU-IBGZPJMESA-N 1 2 339.483 3.563 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000009885276 1038389042 /nfs/dbraw/zinc/38/90/42/1038389042.db2.gz UTIMECGVRYNKPP-UHFFFAOYSA-N 1 2 332.498 3.974 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000009885276 1038389057 /nfs/dbraw/zinc/38/90/57/1038389057.db2.gz UTIMECGVRYNKPP-UHFFFAOYSA-N 1 2 332.498 3.974 20 0 EHADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)COc1c(Cl)cccc1Cl ZINC000398023203 1038395484 /nfs/dbraw/zinc/39/54/84/1038395484.db2.gz CPNJIZIKGNQATG-CABZTGNLSA-N 1 2 340.197 3.511 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1Cl ZINC000659942697 1038445841 /nfs/dbraw/zinc/44/58/41/1038445841.db2.gz NMUNJJTXJSNZKO-LBPRGKRZSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1Cl ZINC000659942697 1038445851 /nfs/dbraw/zinc/44/58/51/1038445851.db2.gz NMUNJJTXJSNZKO-LBPRGKRZSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000538720127 1038489073 /nfs/dbraw/zinc/48/90/73/1038489073.db2.gz ILZCSPIWFASIJD-GFCCVEGCSA-N 1 2 337.876 3.655 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000538720127 1038489080 /nfs/dbraw/zinc/48/90/80/1038489080.db2.gz ILZCSPIWFASIJD-GFCCVEGCSA-N 1 2 337.876 3.655 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000538725432 1038505443 /nfs/dbraw/zinc/50/54/43/1038505443.db2.gz VKZJIFQZNMOXTE-CQSZACIVSA-N 1 2 330.394 3.544 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCC[NH+]2Cc3ccccc3C2)cc1C ZINC000667158159 1038577024 /nfs/dbraw/zinc/57/70/24/1038577024.db2.gz QVJMAWHVKLNNSN-LEWJYISDSA-N 1 2 334.463 3.539 20 0 EHADLO c1csc(CC2C[NH+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000628478995 1038598039 /nfs/dbraw/zinc/59/80/39/1038598039.db2.gz WMAWXALAGQWTCS-UHFFFAOYSA-N 1 2 327.478 3.941 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)on1 ZINC000025459500 1038599554 /nfs/dbraw/zinc/59/95/54/1038599554.db2.gz XFHJZPOGBFXCDH-IBGZPJMESA-N 1 2 347.418 3.569 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)on1 ZINC000025459500 1038599560 /nfs/dbraw/zinc/59/95/60/1038599560.db2.gz XFHJZPOGBFXCDH-IBGZPJMESA-N 1 2 347.418 3.569 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000027557688 1038617361 /nfs/dbraw/zinc/61/73/61/1038617361.db2.gz UBRJLPQUSDYQIQ-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000027557688 1038617370 /nfs/dbraw/zinc/61/73/70/1038617370.db2.gz UBRJLPQUSDYQIQ-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000660012332 1038707262 /nfs/dbraw/zinc/70/72/62/1038707262.db2.gz BTIMBZRKXDPPDY-LJQANCHMSA-N 1 2 345.464 3.566 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000660012332 1038707266 /nfs/dbraw/zinc/70/72/66/1038707266.db2.gz BTIMBZRKXDPPDY-LJQANCHMSA-N 1 2 345.464 3.566 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1c(F)cccc1F ZINC000539234926 1038745924 /nfs/dbraw/zinc/74/59/24/1038745924.db2.gz WSNMKRFTQHMSMK-VIFPVBQESA-N 1 2 326.293 3.532 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)[nH]c1C ZINC000566498869 1038766595 /nfs/dbraw/zinc/76/65/95/1038766595.db2.gz IWXMCGBBKXUWMJ-UHFFFAOYSA-N 1 2 327.350 3.566 20 0 EHADLO Cc1[nH]c(CNCc2ccc(C)cc2OCC(F)(F)F)[nH+]c1C ZINC000566498869 1038766603 /nfs/dbraw/zinc/76/66/03/1038766603.db2.gz IWXMCGBBKXUWMJ-UHFFFAOYSA-N 1 2 327.350 3.566 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000178510098 1038777902 /nfs/dbraw/zinc/77/79/02/1038777902.db2.gz BGCNZVJTHNMWSR-INIZCTEOSA-N 1 2 344.365 3.690 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000178510098 1038777916 /nfs/dbraw/zinc/77/79/16/1038777916.db2.gz BGCNZVJTHNMWSR-INIZCTEOSA-N 1 2 344.365 3.690 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851486 1038786140 /nfs/dbraw/zinc/78/61/40/1038786140.db2.gz LECDYPRPCJDALJ-PZJWPPBQSA-N 1 2 343.559 3.751 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000488058708 1038814675 /nfs/dbraw/zinc/81/46/75/1038814675.db2.gz AKBWXMITDIGKID-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000488058708 1038814701 /nfs/dbraw/zinc/81/47/01/1038814701.db2.gz AKBWXMITDIGKID-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000485292197 1038877650 /nfs/dbraw/zinc/87/76/50/1038877650.db2.gz YCURCWVFNGMKHF-UHFFFAOYSA-N 1 2 336.460 3.859 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cc(C)cc2F)c1C ZINC000667576248 1038889980 /nfs/dbraw/zinc/88/99/80/1038889980.db2.gz HFVOWYOETJVXHG-UHFFFAOYSA-N 1 2 334.366 3.566 20 0 EHADLO O=c1oc2ccc(CNc3[nH+]c4ccccc4n3CC3CC3)cc2o1 ZINC000905425752 1038891246 /nfs/dbraw/zinc/89/12/46/1038891246.db2.gz FLYICDLXPQBGLV-UHFFFAOYSA-N 1 2 335.363 3.758 20 0 EHADLO COc1cc(C)cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000488118370 1038893320 /nfs/dbraw/zinc/89/33/20/1038893320.db2.gz AQYYUWDTLVBROK-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H](C3CC3)C3CCOCC3)c21 ZINC000651402084 1038905665 /nfs/dbraw/zinc/90/56/65/1038905665.db2.gz NPKCWKQQOKTSPZ-QGZVFWFLSA-N 1 2 340.402 3.867 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]2COC)cc1OCC ZINC000552084189 1038961130 /nfs/dbraw/zinc/96/11/30/1038961130.db2.gz TXTCROZPCVPWDC-CQSZACIVSA-N 1 2 327.852 3.748 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]2COC)cc1OCC ZINC000552084189 1038961142 /nfs/dbraw/zinc/96/11/42/1038961142.db2.gz TXTCROZPCVPWDC-CQSZACIVSA-N 1 2 327.852 3.748 20 0 EHADLO CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432739274 1038974744 /nfs/dbraw/zinc/97/47/44/1038974744.db2.gz PXPMUKGKUZWMQS-UHFFFAOYSA-N 1 2 347.261 3.871 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509745003 1039020655 /nfs/dbraw/zinc/02/06/55/1039020655.db2.gz IELYLZNFQZUFQP-FUHWJXTLSA-N 1 2 344.503 3.709 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(C)[nH+]1 ZINC000905687805 1039026561 /nfs/dbraw/zinc/02/65/61/1039026561.db2.gz VLKVNFNZBOWSOU-UHFFFAOYSA-N 1 2 346.434 3.813 20 0 EHADLO CC(C)C1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000477905748 1039028565 /nfs/dbraw/zinc/02/85/65/1039028565.db2.gz RSROXOTXEHUBPP-UHFFFAOYSA-N 1 2 332.492 3.788 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645785671 1039032167 /nfs/dbraw/zinc/03/21/67/1039032167.db2.gz OHELGORBOFKTDA-ROUUACIJSA-N 1 2 330.476 3.589 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000367632692 1039041848 /nfs/dbraw/zinc/04/18/48/1039041848.db2.gz UJNYZBDWXPQIMK-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC(C)(C)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000416800123 1039044652 /nfs/dbraw/zinc/04/46/52/1039044652.db2.gz FJSFOAKHRXLJFF-HZPDHXFCSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1ncsc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000552213269 1039070857 /nfs/dbraw/zinc/07/08/57/1039070857.db2.gz LGCCKEAMDWLCNM-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO CCn1nc(C(C)C)cc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000478000463 1039092355 /nfs/dbraw/zinc/09/23/55/1039092355.db2.gz LONLVTKWYWMZNI-UHFFFAOYSA-N 1 2 337.427 3.977 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1Cl ZINC000668845152 1039111673 /nfs/dbraw/zinc/11/16/73/1039111673.db2.gz OQXWPKMPDCAOPG-UHFFFAOYSA-N 1 2 327.762 3.613 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1Cl ZINC000668845152 1039111680 /nfs/dbraw/zinc/11/16/80/1039111680.db2.gz OQXWPKMPDCAOPG-UHFFFAOYSA-N 1 2 327.762 3.613 20 0 EHADLO C[C@H](NC(=S)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000044057128 1039116421 /nfs/dbraw/zinc/11/64/21/1039116421.db2.gz RHXXNHHZZDRBLQ-HNNXBMFYSA-N 1 2 345.537 3.501 20 0 EHADLO COc1ccc([C@H](OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859055 1039141663 /nfs/dbraw/zinc/14/16/63/1039141663.db2.gz RQWWODYGAJGAQP-GJZGRUSLSA-N 1 2 345.361 3.715 20 0 EHADLO COc1ccc([C@H](OC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859055 1039141676 /nfs/dbraw/zinc/14/16/76/1039141676.db2.gz RQWWODYGAJGAQP-GJZGRUSLSA-N 1 2 345.361 3.715 20 0 EHADLO CC[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1OC ZINC000905861490 1039144090 /nfs/dbraw/zinc/14/40/90/1039144090.db2.gz GZPLAXCAFPTYDA-PKOBYXMFSA-N 1 2 344.430 3.705 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442143 1039169263 /nfs/dbraw/zinc/16/92/63/1039169263.db2.gz DMUDIQCAYXEONQ-KSSFIOAISA-N 1 2 334.414 3.825 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442143 1039169275 /nfs/dbraw/zinc/16/92/75/1039169275.db2.gz DMUDIQCAYXEONQ-KSSFIOAISA-N 1 2 334.414 3.825 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(CCC(C)C)no2)c(C)c1OC ZINC000554291110 1039177860 /nfs/dbraw/zinc/17/78/60/1039177860.db2.gz JCTLIHYDWYHJJI-AWEZNQCLSA-N 1 2 347.459 3.835 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)OC)cs1 ZINC000152036215 1039182255 /nfs/dbraw/zinc/18/22/55/1039182255.db2.gz DKQSIDALJJDHFE-CXAGYDPISA-N 1 2 332.469 3.736 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000660122077 1039247634 /nfs/dbraw/zinc/24/76/34/1039247634.db2.gz YCVJMKYYGVTLEW-AWEZNQCLSA-N 1 2 329.419 3.570 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)sc1C ZINC000339221623 1039249364 /nfs/dbraw/zinc/24/93/64/1039249364.db2.gz GTXRYHZLWTVVML-UHFFFAOYSA-N 1 2 347.459 3.756 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)sc1C ZINC000339221623 1039249370 /nfs/dbraw/zinc/24/93/70/1039249370.db2.gz GTXRYHZLWTVVML-UHFFFAOYSA-N 1 2 347.459 3.756 20 0 EHADLO O=C(c1ccc(C2CCCC2)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488554026 1039265928 /nfs/dbraw/zinc/26/59/28/1039265928.db2.gz XRTAVOKRNUCISV-HXUWFJFHSA-N 1 2 335.451 3.526 20 0 EHADLO COCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)s1 ZINC001139827484 1039280485 /nfs/dbraw/zinc/28/04/85/1039280485.db2.gz YSCBRXFTCZMDKH-HNNXBMFYSA-N 1 2 325.474 3.591 20 0 EHADLO COCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)s1 ZINC001139827484 1039280495 /nfs/dbraw/zinc/28/04/95/1039280495.db2.gz YSCBRXFTCZMDKH-HNNXBMFYSA-N 1 2 325.474 3.591 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485590906 1039294438 /nfs/dbraw/zinc/29/44/38/1039294438.db2.gz DXYCUEZPEAKSCU-WTGUMLROSA-N 1 2 349.478 3.630 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccnn2CC2CC2)cc1 ZINC000667644466 1039340393 /nfs/dbraw/zinc/34/03/93/1039340393.db2.gz KAHLXZPUQRLESV-LJQANCHMSA-N 1 2 327.497 3.892 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccnn2CC2CC2)cc1 ZINC000667644466 1039340409 /nfs/dbraw/zinc/34/04/09/1039340409.db2.gz KAHLXZPUQRLESV-LJQANCHMSA-N 1 2 327.497 3.892 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000439484386 1039346431 /nfs/dbraw/zinc/34/64/31/1039346431.db2.gz OKJRDBPJJCUAHE-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000439484386 1039346445 /nfs/dbraw/zinc/34/64/45/1039346445.db2.gz OKJRDBPJJCUAHE-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO CCCOc1cccc2c(N3CCC(C(=O)OCC)CC3)cc[nH+]c12 ZINC000478297880 1039363671 /nfs/dbraw/zinc/36/36/71/1039363671.db2.gz DIVVRGHZLCGZGE-UHFFFAOYSA-N 1 2 342.439 3.803 20 0 EHADLO C[C@H](CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000067066144 1039386005 /nfs/dbraw/zinc/38/60/05/1039386005.db2.gz FNJIUPBMFHHGQC-QGZVFWFLSA-N 1 2 348.450 3.817 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692886 1039413808 /nfs/dbraw/zinc/41/38/08/1039413808.db2.gz MPGMQSGURBGZLW-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692886 1039413815 /nfs/dbraw/zinc/41/38/15/1039413815.db2.gz MPGMQSGURBGZLW-IRXDYDNUSA-N 1 2 336.426 3.797 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)c(F)c1 ZINC000429585269 1039427126 /nfs/dbraw/zinc/42/71/26/1039427126.db2.gz IVDPIUCRLOZQTR-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)c(F)c1 ZINC000429585269 1039427134 /nfs/dbraw/zinc/42/71/34/1039427134.db2.gz IVDPIUCRLOZQTR-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1c(Cl)cc(F)cc1Cl ZINC000431922628 1039435503 /nfs/dbraw/zinc/43/55/03/1039435503.db2.gz FSZPRSIHVOYARB-UHFFFAOYSA-N 1 2 338.169 3.710 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccc(C)cc3)nn2)cc1F ZINC000906287352 1039451509 /nfs/dbraw/zinc/45/15/09/1039451509.db2.gz QLTJHVIYLSZVCW-CQSZACIVSA-N 1 2 340.402 3.574 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccc(F)cc2)O1 ZINC000667663635 1039458729 /nfs/dbraw/zinc/45/87/29/1039458729.db2.gz SHHQLOLJCYJBFT-VBKZILBWSA-N 1 2 343.446 3.789 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccc(F)cc2)O1 ZINC000667663635 1039458744 /nfs/dbraw/zinc/45/87/44/1039458744.db2.gz SHHQLOLJCYJBFT-VBKZILBWSA-N 1 2 343.446 3.789 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC1(C)C ZINC000500776650 1039481127 /nfs/dbraw/zinc/48/11/27/1039481127.db2.gz VHWGUKRLEWRNMR-SFHVURJKSA-N 1 2 343.515 3.973 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cnn(C)c1 ZINC000728926121 1039490009 /nfs/dbraw/zinc/49/00/09/1039490009.db2.gz XGQNCHTWTDVYHT-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cnn(C)c1 ZINC000728926121 1039490016 /nfs/dbraw/zinc/49/00/16/1039490016.db2.gz XGQNCHTWTDVYHT-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO C[N@H+](CCc1cccs1)Cc1c(F)cncc1Br ZINC000667671508 1039512548 /nfs/dbraw/zinc/51/25/48/1039512548.db2.gz TWERVDKBAHEQQT-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO C[N@@H+](CCc1cccs1)Cc1c(F)cncc1Br ZINC000667671508 1039512557 /nfs/dbraw/zinc/51/25/57/1039512557.db2.gz TWERVDKBAHEQQT-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(C)(C)[C@H]3C(C)C)cn2c1 ZINC000480402173 1039524728 /nfs/dbraw/zinc/52/47/28/1039524728.db2.gz IOMQZVRMKKEPCK-GOSISDBHSA-N 1 2 345.512 3.769 20 0 EHADLO C[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cc(Cl)ccc1F ZINC000446973350 1039530534 /nfs/dbraw/zinc/53/05/34/1039530534.db2.gz CQLJXOMYFXEGKQ-UHFFFAOYSA-N 1 2 335.732 3.870 20 0 EHADLO C[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cc(Cl)ccc1F ZINC000446973350 1039530549 /nfs/dbraw/zinc/53/05/49/1039530549.db2.gz CQLJXOMYFXEGKQ-UHFFFAOYSA-N 1 2 335.732 3.870 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000485782091 1039552661 /nfs/dbraw/zinc/55/26/61/1039552661.db2.gz FPPUUXQKPSUIHF-JLSDUUJJSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000485782091 1039552670 /nfs/dbraw/zinc/55/26/70/1039552670.db2.gz FPPUUXQKPSUIHF-JLSDUUJJSA-N 1 2 348.437 3.797 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417223762 1039556815 /nfs/dbraw/zinc/55/68/15/1039556815.db2.gz LSCLIJSZVKWJFN-AWEZNQCLSA-N 1 2 342.468 3.512 20 0 EHADLO CCC[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000911879605 1039561719 /nfs/dbraw/zinc/56/17/19/1039561719.db2.gz OJKOXMYIKLLZDK-QGZVFWFLSA-N 1 2 330.476 3.546 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000489051407 1039570778 /nfs/dbraw/zinc/57/07/78/1039570778.db2.gz ZNEHSVDQGMDUQY-IAGOWNOFSA-N 1 2 325.456 3.721 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCC(Cn4cnnc4)CC3)c2cc1Cl ZINC000651426781 1039581446 /nfs/dbraw/zinc/58/14/46/1039581446.db2.gz PTWCIOAQPAIOHD-UHFFFAOYSA-N 1 2 345.809 3.535 20 0 EHADLO Cc1cc(C)c(C(=O)NCCCc2nc3c(s2)CCCC3)c(C)[nH+]1 ZINC000906523483 1039615828 /nfs/dbraw/zinc/61/58/28/1039615828.db2.gz PPJZYWKGPJAHAI-UHFFFAOYSA-N 1 2 343.496 3.705 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3=CCCCCC3)n2)c1 ZINC000478726334 1039671597 /nfs/dbraw/zinc/67/15/97/1039671597.db2.gz XDNDTQNMDMBUAM-UHFFFAOYSA-N 1 2 339.439 3.916 20 0 EHADLO CC(C)(CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898901854 1039679031 /nfs/dbraw/zinc/67/90/31/1039679031.db2.gz HLKBHCOPKMYDEB-OALUTQOASA-N 1 2 333.435 3.691 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)c(C)[nH+]1 ZINC000912070277 1039679712 /nfs/dbraw/zinc/67/97/12/1039679712.db2.gz AJNNELRLEACUFA-KRWDZBQOSA-N 1 2 335.407 3.709 20 0 EHADLO COc1c(F)cccc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001143533785 1039692679 /nfs/dbraw/zinc/69/26/79/1039692679.db2.gz JOFCHMYEBMQXMD-INIZCTEOSA-N 1 2 342.405 3.530 20 0 EHADLO CCc1cc2c(CC(=O)NCC(C)(C)n3cc[nH+]c3)csc2s1 ZINC000898910962 1039699917 /nfs/dbraw/zinc/69/99/17/1039699917.db2.gz CWJJBAWUDIRRIP-UHFFFAOYSA-N 1 2 347.509 3.816 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000912308021 1039806311 /nfs/dbraw/zinc/80/63/11/1039806311.db2.gz NRKKVTUYKMIYIE-OAHLLOKOSA-N 1 2 328.460 3.550 20 0 EHADLO CSc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1 ZINC000893912098 1039816916 /nfs/dbraw/zinc/81/69/16/1039816916.db2.gz FAABYTRCGFVDAX-UHFFFAOYSA-N 1 2 343.452 3.894 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000554862532 1039828209 /nfs/dbraw/zinc/82/82/09/1039828209.db2.gz LLAWAROORPJZQR-QAQDUYKDSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1F ZINC000893945617 1039870498 /nfs/dbraw/zinc/87/04/98/1039870498.db2.gz CNOOBJIAOZVCGM-UHFFFAOYSA-N 1 2 333.476 3.759 20 0 EHADLO CC(C)[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1F ZINC000893945617 1039870518 /nfs/dbraw/zinc/87/05/18/1039870518.db2.gz CNOOBJIAOZVCGM-UHFFFAOYSA-N 1 2 333.476 3.759 20 0 EHADLO CC(C)CN(C(=O)CCc1c[nH+]cn1C)c1ccc(F)c(Cl)c1 ZINC000628531238 1039875750 /nfs/dbraw/zinc/87/57/50/1039875750.db2.gz PDVNBPPKQGFXDN-UHFFFAOYSA-N 1 2 337.826 3.834 20 0 EHADLO CCC[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1F ZINC000893951896 1039881206 /nfs/dbraw/zinc/88/12/06/1039881206.db2.gz KSACUJZTVAPJBW-UHFFFAOYSA-N 1 2 333.476 3.761 20 0 EHADLO CCC[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1F ZINC000893951896 1039881239 /nfs/dbraw/zinc/88/12/39/1039881239.db2.gz KSACUJZTVAPJBW-UHFFFAOYSA-N 1 2 333.476 3.761 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1sccc1C1CC1 ZINC000893992947 1039929604 /nfs/dbraw/zinc/92/96/04/1039929604.db2.gz XNPRPUYKADDACN-KRWDZBQOSA-N 1 2 337.448 3.993 20 0 EHADLO Cc1cc(C)c(C(=O)NCCSCc2ccnc(Cl)c2)c(C)[nH+]1 ZINC000907201626 1039952038 /nfs/dbraw/zinc/95/20/38/1039952038.db2.gz LQOCGFUTTLJHFA-UHFFFAOYSA-N 1 2 349.887 3.718 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156499330 1039959727 /nfs/dbraw/zinc/95/97/27/1039959727.db2.gz RDWUPDUMQABFPS-GUDVDZBRSA-N 1 2 337.467 3.630 20 0 EHADLO COC(=O)c1cnc(C[NH+]2CCC(c3ccccc3C)CC2)s1 ZINC000894004118 1039961458 /nfs/dbraw/zinc/96/14/58/1039961458.db2.gz XQTKBWCPFXPHCR-UHFFFAOYSA-N 1 2 330.453 3.618 20 0 EHADLO Cc1cc(OCC(=O)Nc2c(F)cccc2F)c2ccccc2[nH+]1 ZINC000486213812 1039987520 /nfs/dbraw/zinc/98/75/20/1039987520.db2.gz KYDADHNIXZBXRL-UHFFFAOYSA-N 1 2 328.318 3.839 20 0 EHADLO CN(Cc1ccccc1)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188700880 1040044838 /nfs/dbraw/zinc/04/48/38/1040044838.db2.gz DQVQYQAYFXRANL-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO CN(Cc1ccccc1)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188700880 1040044861 /nfs/dbraw/zinc/04/48/61/1040044861.db2.gz DQVQYQAYFXRANL-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO Cc1cccc(CC2(O)CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000480836882 1040083909 /nfs/dbraw/zinc/08/39/09/1040083909.db2.gz JAJMBCZGJSXCJI-UHFFFAOYSA-N 1 2 339.483 3.791 20 0 EHADLO FC(F)c1sccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000923964199 1040112812 /nfs/dbraw/zinc/11/28/12/1040112812.db2.gz QMNYKDGFPUBKKO-MWLCHTKSSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1sccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000923964199 1040112822 /nfs/dbraw/zinc/11/28/22/1040112822.db2.gz QMNYKDGFPUBKKO-MWLCHTKSSA-N 1 2 341.383 3.662 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC000188913948 1040114556 /nfs/dbraw/zinc/11/45/56/1040114556.db2.gz GZGNXLFZKZOSRX-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC000188913948 1040114564 /nfs/dbraw/zinc/11/45/64/1040114564.db2.gz GZGNXLFZKZOSRX-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(Cl)cn2)cc1 ZINC000486445171 1040138028 /nfs/dbraw/zinc/13/80/28/1040138028.db2.gz LMSWJCHRCUOSOK-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000912726652 1040164030 /nfs/dbraw/zinc/16/40/30/1040164030.db2.gz ZEEHNDYQGHMKME-CQSZACIVSA-N 1 2 326.431 3.872 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000912726652 1040164039 /nfs/dbraw/zinc/16/40/39/1040164039.db2.gz ZEEHNDYQGHMKME-CQSZACIVSA-N 1 2 326.431 3.872 20 0 EHADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899205381 1040165050 /nfs/dbraw/zinc/16/50/50/1040165050.db2.gz MBRGMEYRIDQWQT-MCIONIFRSA-N 1 2 345.393 3.586 20 0 EHADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899205381 1040165074 /nfs/dbraw/zinc/16/50/74/1040165074.db2.gz MBRGMEYRIDQWQT-MCIONIFRSA-N 1 2 345.393 3.586 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907813430 1040176967 /nfs/dbraw/zinc/17/69/67/1040176967.db2.gz BOOWBESXGUNIJB-HNNXBMFYSA-N 1 2 347.503 3.636 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907813430 1040176979 /nfs/dbraw/zinc/17/69/79/1040176979.db2.gz BOOWBESXGUNIJB-HNNXBMFYSA-N 1 2 347.503 3.636 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(C2CC2)CC1 ZINC000907810099 1040177270 /nfs/dbraw/zinc/17/72/70/1040177270.db2.gz MZGPYFXBMDVDHH-OAHLLOKOSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(C2CC2)CC1 ZINC000907810099 1040177279 /nfs/dbraw/zinc/17/72/79/1040177279.db2.gz MZGPYFXBMDVDHH-OAHLLOKOSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000907816530 1040185701 /nfs/dbraw/zinc/18/57/01/1040185701.db2.gz UQFCQGVFKJGIMG-VVLHAWIVSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000907816530 1040185711 /nfs/dbraw/zinc/18/57/11/1040185711.db2.gz UQFCQGVFKJGIMG-VVLHAWIVSA-N 1 2 341.499 3.867 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000119652062 1040194644 /nfs/dbraw/zinc/19/46/44/1040194644.db2.gz LEVDDTILGBRLLI-RYUDHWBXSA-N 1 2 339.407 3.780 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000189200783 1040199624 /nfs/dbraw/zinc/19/96/24/1040199624.db2.gz BIWZXYPLAZEANU-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CC(C)(CC(=O)N1CCC(Nc2cccc[nH+]2)CC1)CC(F)(F)F ZINC000927104827 1040203374 /nfs/dbraw/zinc/20/33/74/1040203374.db2.gz OGDHLOSLXPONRV-UHFFFAOYSA-N 1 2 343.393 3.853 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000907914639 1040230236 /nfs/dbraw/zinc/23/02/36/1040230236.db2.gz XBSKAQKYTBWRAQ-UHFFFAOYSA-N 1 2 329.831 3.553 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000667490865 1040244139 /nfs/dbraw/zinc/24/41/39/1040244139.db2.gz SENRPECAYHWUCL-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000667490865 1040244152 /nfs/dbraw/zinc/24/41/52/1040244152.db2.gz SENRPECAYHWUCL-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)CCCOCc2ccccc2)c(C)[nH+]1 ZINC000907976837 1040254943 /nfs/dbraw/zinc/25/49/43/1040254943.db2.gz ADVIAMWLLIWURR-UHFFFAOYSA-N 1 2 326.440 3.686 20 0 EHADLO C[C@H](CNC(=O)c1cc2cc(Cl)ccc2s1)Cn1cc[nH+]c1 ZINC000669019153 1040260112 /nfs/dbraw/zinc/26/01/12/1040260112.db2.gz ROLGWWOAGDOLPY-LLVKDONJSA-N 1 2 333.844 3.817 20 0 EHADLO C[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1OC(F)(F)F ZINC000667494422 1040266378 /nfs/dbraw/zinc/26/63/78/1040266378.db2.gz ZUPZQSFIGJBTGY-UHFFFAOYSA-N 1 2 339.361 3.824 20 0 EHADLO C[N@@H+](Cc1ccnn1CC1CC1)Cc1ccccc1OC(F)(F)F ZINC000667494422 1040266390 /nfs/dbraw/zinc/26/63/90/1040266390.db2.gz ZUPZQSFIGJBTGY-UHFFFAOYSA-N 1 2 339.361 3.824 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000667498338 1040291644 /nfs/dbraw/zinc/29/16/44/1040291644.db2.gz FCGGCAICVLVGND-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000667498338 1040291655 /nfs/dbraw/zinc/29/16/55/1040291655.db2.gz FCGGCAICVLVGND-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1C ZINC000490027967 1040296327 /nfs/dbraw/zinc/29/63/27/1040296327.db2.gz CAZLFLOWRQHDGZ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000490027967 1040296347 /nfs/dbraw/zinc/29/63/47/1040296347.db2.gz CAZLFLOWRQHDGZ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000490019099 1040311230 /nfs/dbraw/zinc/31/12/30/1040311230.db2.gz NJYVJEGDWIMQLU-DJIMGWMZSA-N 1 2 325.456 3.625 20 0 EHADLO CCC(CC)N(CC)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908238778 1040363930 /nfs/dbraw/zinc/36/39/30/1040363930.db2.gz DWVYDXFQPSRVFM-UHFFFAOYSA-N 1 2 328.460 3.646 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)c(C)[nH+]1 ZINC000908262383 1040373873 /nfs/dbraw/zinc/37/38/73/1040373873.db2.gz ALHGIZXEAXKMSE-NRFANRHFSA-N 1 2 336.435 3.617 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541779 1040432200 /nfs/dbraw/zinc/43/22/00/1040432200.db2.gz PDVDAXHTZNAZRY-ZDUSSCGKSA-N 1 2 334.489 3.560 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541779 1040432210 /nfs/dbraw/zinc/43/22/10/1040432210.db2.gz PDVDAXHTZNAZRY-ZDUSSCGKSA-N 1 2 334.489 3.560 20 0 EHADLO CC(C)(/C=C\Cl)NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000923809979 1040454447 /nfs/dbraw/zinc/45/44/47/1040454447.db2.gz GZBVSFTXKOZSBN-YKPUONHQSA-N 1 2 336.867 3.635 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000067142956 1040501260 /nfs/dbraw/zinc/50/12/60/1040501260.db2.gz VGVZIKAWACZCIP-VBKFSLOCSA-N 1 2 349.409 3.790 20 0 EHADLO Cc1[nH+]cc(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)n1C ZINC000667533141 1040505010 /nfs/dbraw/zinc/50/50/10/1040505010.db2.gz HLCKRMTYILJCFE-UHFFFAOYSA-N 1 2 327.472 3.895 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)o1 ZINC000433033622 1040516456 /nfs/dbraw/zinc/51/64/56/1040516456.db2.gz QGCFANHUYNCYJT-ZLOXQWCVSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)o1 ZINC000433033622 1040516473 /nfs/dbraw/zinc/51/64/73/1040516473.db2.gz QGCFANHUYNCYJT-ZLOXQWCVSA-N 1 2 335.444 3.737 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C)c(OC)c2)nc1C ZINC000567664191 1040546341 /nfs/dbraw/zinc/54/63/41/1040546341.db2.gz SQXNOZCWNGDJKQ-CYBMUJFWSA-N 1 2 348.468 3.796 20 0 EHADLO Cc1c(C[NH2+][C@H](C)c2ncc(C(F)(F)F)cc2Cl)cnn1C ZINC000925648559 1040548048 /nfs/dbraw/zinc/54/80/48/1040548048.db2.gz VXLLMDWSCCCTNB-MRVPVSSYSA-N 1 2 332.757 3.647 20 0 EHADLO C[S@](=O)c1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000433043277 1040548546 /nfs/dbraw/zinc/54/85/46/1040548546.db2.gz CZZJJISDKVBXON-QHCPKHFHSA-N 1 2 348.899 3.852 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000433046246 1040556332 /nfs/dbraw/zinc/55/63/32/1040556332.db2.gz TZMCLDIBTBJVLP-GXTWGEPZSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000433046246 1040556348 /nfs/dbraw/zinc/55/63/48/1040556348.db2.gz TZMCLDIBTBJVLP-GXTWGEPZSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000433046250 1040556760 /nfs/dbraw/zinc/55/67/60/1040556760.db2.gz TZMCLDIBTBJVLP-OCCSQVGLSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000433046250 1040556777 /nfs/dbraw/zinc/55/67/77/1040556777.db2.gz TZMCLDIBTBJVLP-OCCSQVGLSA-N 1 2 329.893 3.754 20 0 EHADLO Cc1nnsc1[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000931059154 1040564688 /nfs/dbraw/zinc/56/46/88/1040564688.db2.gz LQHMLJQVLLIIQN-RDDDGLTNSA-N 1 2 332.256 3.538 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000512703608 1040574903 /nfs/dbraw/zinc/57/49/03/1040574903.db2.gz GBSNHSGZRDQHHC-OFLPRAFFSA-N 1 2 331.504 3.947 20 0 EHADLO C[N@H+](Cc1c(F)cncc1Br)C1Cc2ccccc2C1 ZINC000667547321 1040575206 /nfs/dbraw/zinc/57/52/06/1040575206.db2.gz HLPDTYFMCPDHFW-UHFFFAOYSA-N 1 2 335.220 3.582 20 0 EHADLO C[N@@H+](Cc1c(F)cncc1Br)C1Cc2ccccc2C1 ZINC000667547321 1040575218 /nfs/dbraw/zinc/57/52/18/1040575218.db2.gz HLPDTYFMCPDHFW-UHFFFAOYSA-N 1 2 335.220 3.582 20 0 EHADLO Brc1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000479828331 1040650228 /nfs/dbraw/zinc/65/02/28/1040650228.db2.gz IPNIBFYSCJIXCM-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000364295608 1040716575 /nfs/dbraw/zinc/71/65/75/1040716575.db2.gz AUMUJWLHBRXMLQ-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000364295608 1040716583 /nfs/dbraw/zinc/71/65/83/1040716583.db2.gz AUMUJWLHBRXMLQ-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(C)c1C ZINC000177389068 1040742210 /nfs/dbraw/zinc/74/22/10/1040742210.db2.gz CGKUDLRGBZDVFH-MRXNPFEDSA-N 1 2 338.517 3.749 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(C)c1C ZINC000177389068 1040742225 /nfs/dbraw/zinc/74/22/25/1040742225.db2.gz CGKUDLRGBZDVFH-MRXNPFEDSA-N 1 2 338.517 3.749 20 0 EHADLO C[C@H]1COCCN1c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000151296584 1040748375 /nfs/dbraw/zinc/74/83/75/1040748375.db2.gz FDNMZBJQURDNEU-KRWDZBQOSA-N 1 2 348.450 3.710 20 0 EHADLO CCC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1F ZINC000614223636 1040749036 /nfs/dbraw/zinc/74/90/36/1040749036.db2.gz HMPAGZNNJKSUPS-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO CCC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1F ZINC000614223636 1040749052 /nfs/dbraw/zinc/74/90/52/1040749052.db2.gz HMPAGZNNJKSUPS-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000431973003 1040758539 /nfs/dbraw/zinc/75/85/39/1040758539.db2.gz XXLHOURHAUVBPU-JCNLHEQBSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1Br ZINC000487202964 1040772459 /nfs/dbraw/zinc/77/24/59/1040772459.db2.gz RLDSZJMUJCDVIJ-RYUDHWBXSA-N 1 2 325.250 3.569 20 0 EHADLO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000411370745 1040783058 /nfs/dbraw/zinc/78/30/58/1040783058.db2.gz VJHAMWPGYXSFGT-NVXWUHKLSA-N 1 2 335.496 3.520 20 0 EHADLO CCC[N@@H+](C[C@H]1CCCCO1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000411370745 1040783071 /nfs/dbraw/zinc/78/30/71/1040783071.db2.gz VJHAMWPGYXSFGT-NVXWUHKLSA-N 1 2 335.496 3.520 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000913421919 1040796942 /nfs/dbraw/zinc/79/69/42/1040796942.db2.gz PGZZCAOOPCKZRK-AEFFLSMTSA-N 1 2 344.842 3.920 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)c(C)[nH+]1 ZINC000913417514 1040808185 /nfs/dbraw/zinc/80/81/85/1040808185.db2.gz FTINHGODJJEZIG-INIZCTEOSA-N 1 2 348.450 3.903 20 0 EHADLO O=C(NC1CCCCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000029656164 1040832018 /nfs/dbraw/zinc/83/20/18/1040832018.db2.gz BMTRVJGRRCMRTQ-UHFFFAOYSA-N 1 2 335.517 3.688 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000481407022 1040859435 /nfs/dbraw/zinc/85/94/35/1040859435.db2.gz ASHCXUTUKXRLAQ-HNNXBMFYSA-N 1 2 345.874 3.943 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1Cl ZINC000555583182 1040875685 /nfs/dbraw/zinc/87/56/85/1040875685.db2.gz UKYRPCIJZFQTNO-CYBMUJFWSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1Cl ZINC000555583182 1040875693 /nfs/dbraw/zinc/87/56/93/1040875693.db2.gz UKYRPCIJZFQTNO-CYBMUJFWSA-N 1 2 332.806 3.907 20 0 EHADLO Cc1ccc(C)c(OCCn2c3ccccc3[nH+]c2NC[C@H](C)O)c1 ZINC000253477858 1040887823 /nfs/dbraw/zinc/88/78/23/1040887823.db2.gz HXUAUJALGLILKZ-INIZCTEOSA-N 1 2 339.439 3.525 20 0 EHADLO Cc1cn(C)nc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000931173264 1040892508 /nfs/dbraw/zinc/89/25/08/1040892508.db2.gz WOMZCPMRPDVSBR-VIFPVBQESA-N 1 2 344.203 3.620 20 0 EHADLO FC1(F)C[C@H]1OCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000664032948 1040897482 /nfs/dbraw/zinc/89/74/82/1040897482.db2.gz KNJRPAGBBTYPMM-MRXNPFEDSA-N 1 2 334.366 3.689 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000367671894 1040906253 /nfs/dbraw/zinc/90/62/53/1040906253.db2.gz IODAADUAPALITA-AWEZNQCLSA-N 1 2 329.469 3.609 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494532 1040971759 /nfs/dbraw/zinc/97/17/59/1040971759.db2.gz CEIMVXNILUUMBB-KPZWWZAWSA-N 1 2 331.456 3.588 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494532 1040971784 /nfs/dbraw/zinc/97/17/84/1040971784.db2.gz CEIMVXNILUUMBB-KPZWWZAWSA-N 1 2 331.456 3.588 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1nn(C)cc1Br ZINC000433180261 1041009688 /nfs/dbraw/zinc/00/96/88/1041009688.db2.gz IXOVNZGYRFMOTE-UKRRQHHQSA-N 1 2 348.288 3.951 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1nn(C)cc1Br ZINC000433180261 1041009702 /nfs/dbraw/zinc/00/97/02/1041009702.db2.gz IXOVNZGYRFMOTE-UKRRQHHQSA-N 1 2 348.288 3.951 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000512817593 1041023453 /nfs/dbraw/zinc/02/34/53/1041023453.db2.gz MEHGGZMFAQALLS-OAHLLOKOSA-N 1 2 337.398 3.604 20 0 EHADLO O=C(C1CCCCCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000586838779 1041035761 /nfs/dbraw/zinc/03/57/61/1041035761.db2.gz SWSDKWFIWTVKAE-FLIBITNWSA-N 1 2 326.484 3.814 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)c2ccc(-c3nccs3)cc2)c[nH+]1 ZINC000910041808 1041161019 /nfs/dbraw/zinc/16/10/19/1041161019.db2.gz UUVASGALHQYTCX-UHFFFAOYSA-N 1 2 340.452 3.713 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433301516 1041242536 /nfs/dbraw/zinc/24/25/36/1041242536.db2.gz GKJYKXNJNMONRI-CYBMUJFWSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433301516 1041242553 /nfs/dbraw/zinc/24/25/53/1041242553.db2.gz GKJYKXNJNMONRI-CYBMUJFWSA-N 1 2 335.860 3.533 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000433303859 1041244917 /nfs/dbraw/zinc/24/49/17/1041244917.db2.gz JMQMOSOULHPUAT-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000433303859 1041244935 /nfs/dbraw/zinc/24/49/35/1041244935.db2.gz JMQMOSOULHPUAT-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2CC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000571405569 1041286029 /nfs/dbraw/zinc/28/60/29/1041286029.db2.gz JMBBGMYZWXVRSB-HNNXBMFYSA-N 1 2 328.456 3.599 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(Cc3csc(C)n3)oc2=S)C1 ZINC000126236812 1041317281 /nfs/dbraw/zinc/31/72/81/1041317281.db2.gz KISXRKGZAWUNOR-LBPRGKRZSA-N 1 2 338.502 3.641 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(Cc3csc(C)n3)oc2=S)C1 ZINC000126236812 1041317292 /nfs/dbraw/zinc/31/72/92/1041317292.db2.gz KISXRKGZAWUNOR-LBPRGKRZSA-N 1 2 338.502 3.641 20 0 EHADLO COC(=O)c1cccc2c1CCCN2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167920407 1041358993 /nfs/dbraw/zinc/35/89/93/1041358993.db2.gz JRTZZIUSBVZNTK-UHFFFAOYSA-N 1 2 347.418 3.612 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000500420069 1041423757 /nfs/dbraw/zinc/42/37/57/1041423757.db2.gz CNACAEKVKUTJPL-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000500420069 1041423759 /nfs/dbraw/zinc/42/37/59/1041423759.db2.gz CNACAEKVKUTJPL-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(OC)cc1 ZINC000052039189 1041434938 /nfs/dbraw/zinc/43/49/38/1041434938.db2.gz VLOJTTXSIJFTLO-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(OC)cc1 ZINC000052039189 1041434942 /nfs/dbraw/zinc/43/49/42/1041434942.db2.gz VLOJTTXSIJFTLO-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000613750448 1041564591 /nfs/dbraw/zinc/56/45/91/1041564591.db2.gz MRVQVPUTMGRJAK-CQSZACIVSA-N 1 2 337.423 3.646 20 0 EHADLO CC[C@@H](CC(F)F)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000660554589 1041662708 /nfs/dbraw/zinc/66/27/08/1041662708.db2.gz XIGIBYDVVRBGGK-OLZOCXBDSA-N 1 2 326.435 3.994 20 0 EHADLO CC[C@@H](CC(F)F)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000660554589 1041662710 /nfs/dbraw/zinc/66/27/10/1041662710.db2.gz XIGIBYDVVRBGGK-OLZOCXBDSA-N 1 2 326.435 3.994 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](CC(C)C)C3CC3)c(=S)n2C)cc1 ZINC000026625610 1041721774 /nfs/dbraw/zinc/72/17/74/1041721774.db2.gz RJZVCUNYGPGZAE-UHFFFAOYSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](CC(C)C)C3CC3)c(=S)n2C)cc1 ZINC000026625610 1041721782 /nfs/dbraw/zinc/72/17/82/1041721782.db2.gz RJZVCUNYGPGZAE-UHFFFAOYSA-N 1 2 346.500 3.705 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3noc4c3CCCC4)CC2)c1F ZINC000660668089 1041762983 /nfs/dbraw/zinc/76/29/83/1041762983.db2.gz UMTYUUCOBRAZLT-UHFFFAOYSA-N 1 2 347.409 3.544 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3noc4c3CCCC4)CC2)c1F ZINC000660668089 1041762987 /nfs/dbraw/zinc/76/29/87/1041762987.db2.gz UMTYUUCOBRAZLT-UHFFFAOYSA-N 1 2 347.409 3.544 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)Cc1ccc(CO)cc1 ZINC000660707975 1041785514 /nfs/dbraw/zinc/78/55/14/1041785514.db2.gz KMNYAMDCYFOTQO-LBPRGKRZSA-N 1 2 329.831 3.902 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000660707975 1041785518 /nfs/dbraw/zinc/78/55/18/1041785518.db2.gz KMNYAMDCYFOTQO-LBPRGKRZSA-N 1 2 329.831 3.902 20 0 EHADLO COc1ccc([C@@H](C)C[N@H+](C)[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763899 1041811695 /nfs/dbraw/zinc/81/16/95/1041811695.db2.gz GZZPKVBDIASOLN-KXBFYZLASA-N 1 2 336.439 3.638 20 0 EHADLO COc1ccc([C@@H](C)C[N@@H+](C)[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763899 1041811700 /nfs/dbraw/zinc/81/17/00/1041811700.db2.gz GZZPKVBDIASOLN-KXBFYZLASA-N 1 2 336.439 3.638 20 0 EHADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632330 1041814873 /nfs/dbraw/zinc/81/48/73/1041814873.db2.gz KLZHKGJSYMSIHG-RYUDHWBXSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632330 1041814878 /nfs/dbraw/zinc/81/48/78/1041814878.db2.gz KLZHKGJSYMSIHG-RYUDHWBXSA-N 1 2 349.887 3.628 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000081315923 1041868251 /nfs/dbraw/zinc/86/82/51/1041868251.db2.gz LZNRSCADABDLMZ-HSALFYBXSA-N 1 2 345.446 3.624 20 0 EHADLO COc1nsc(C[N@H+](C2CC2)C2CCCC2)c1Br ZINC001180565175 1133392693 /nfs/dbraw/zinc/39/26/93/1133392693.db2.gz BCXHPGOSZXUUJE-UHFFFAOYSA-N 1 2 331.279 3.821 20 0 EHADLO COc1nsc(C[N@@H+](C2CC2)C2CCCC2)c1Br ZINC001180565175 1133392699 /nfs/dbraw/zinc/39/26/99/1133392699.db2.gz BCXHPGOSZXUUJE-UHFFFAOYSA-N 1 2 331.279 3.821 20 0 EHADLO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1nnc2ccccn21 ZINC000164310915 1041969339 /nfs/dbraw/zinc/96/93/39/1041969339.db2.gz WGOCKYGJVIISDS-UONOGXRCSA-N 1 2 330.457 3.776 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1C ZINC000661170959 1041980366 /nfs/dbraw/zinc/98/03/66/1041980366.db2.gz KXZOHWGFSPBQGJ-QRWLVFNGSA-N 1 2 341.455 3.915 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1C ZINC000661170959 1041980371 /nfs/dbraw/zinc/98/03/71/1041980371.db2.gz KXZOHWGFSPBQGJ-QRWLVFNGSA-N 1 2 341.455 3.915 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1F ZINC000651746796 1041994005 /nfs/dbraw/zinc/99/40/05/1041994005.db2.gz CGTBNOGZIQVGCI-UHFFFAOYSA-N 1 2 348.418 3.705 20 0 EHADLO CN(C[C@@H]1CC1(C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000661246670 1042030101 /nfs/dbraw/zinc/03/01/01/1042030101.db2.gz FEHJSJWOCFJRRY-ZDUSSCGKSA-N 1 2 346.862 3.713 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)c[nH+]1 ZINC000661291795 1042051974 /nfs/dbraw/zinc/05/19/74/1042051974.db2.gz KOPCAKLCCYDJGQ-HNNXBMFYSA-N 1 2 339.439 3.584 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c[nH+]1 ZINC000661291470 1042052539 /nfs/dbraw/zinc/05/25/39/1042052539.db2.gz HKNXHMCKECNKAK-DLBZAZTESA-N 1 2 345.487 3.624 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c(Cl)c1 ZINC000613781937 1042078532 /nfs/dbraw/zinc/07/85/32/1042078532.db2.gz JVBZDBUFLWRNKN-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651844681 1042099745 /nfs/dbraw/zinc/09/97/45/1042099745.db2.gz RHEVMDMMVTVRGW-YJYMSZOUSA-N 1 2 326.371 3.929 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651844681 1042099752 /nfs/dbraw/zinc/09/97/52/1042099752.db2.gz RHEVMDMMVTVRGW-YJYMSZOUSA-N 1 2 326.371 3.929 20 0 EHADLO CCCc1nc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)no1 ZINC000661430096 1042118099 /nfs/dbraw/zinc/11/80/99/1042118099.db2.gz OFBYSPCYIKMKAF-GOSISDBHSA-N 1 2 349.862 3.557 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC2(CCCCC2)CC1 ZINC000651863746 1042119116 /nfs/dbraw/zinc/11/91/16/1042119116.db2.gz WHJFIUWGFQFSDF-UHFFFAOYSA-N 1 2 329.488 3.725 20 0 EHADLO COC[C@H]([NH2+]Cc1nsc2ccccc12)c1cccc(OC)c1 ZINC000661469264 1042139513 /nfs/dbraw/zinc/13/95/13/1042139513.db2.gz HRIWOFRDDSMUQI-KRWDZBQOSA-N 1 2 328.437 3.782 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661556230 1042186778 /nfs/dbraw/zinc/18/67/78/1042186778.db2.gz GJLGFCKVBBMQDG-RDJZCZTQSA-N 1 2 342.487 3.828 20 0 EHADLO [NH3+][C@@H](C(=O)N(Cc1ccccc1F)CC1CC1)c1c(F)cccc1F ZINC000662886196 1042193819 /nfs/dbraw/zinc/19/38/19/1042193819.db2.gz TUSPEKNJIHTKFI-GOSISDBHSA-N 1 2 348.368 3.543 20 0 EHADLO CC[C@@H](C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661584091 1042205471 /nfs/dbraw/zinc/20/54/71/1042205471.db2.gz HDJJOCHDSMPWQM-HZPDHXFCSA-N 1 2 332.492 3.545 20 0 EHADLO O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105908 1042222585 /nfs/dbraw/zinc/22/25/85/1042222585.db2.gz CLBYPHCCXVHPBC-UHFFFAOYSA-N 1 2 342.402 3.844 20 0 EHADLO Cc1noc(CCC[N@@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661735468 1042291112 /nfs/dbraw/zinc/29/11/12/1042291112.db2.gz FMQYUUHTIHBGNS-MRXNPFEDSA-N 1 2 349.862 3.816 20 0 EHADLO Cc1noc(CCC[N@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661735468 1042291118 /nfs/dbraw/zinc/29/11/18/1042291118.db2.gz FMQYUUHTIHBGNS-MRXNPFEDSA-N 1 2 349.862 3.816 20 0 EHADLO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000661789701 1042329429 /nfs/dbraw/zinc/32/94/29/1042329429.db2.gz NIJWJBVBRIRPLJ-GBESFXJTSA-N 1 2 344.503 3.521 20 0 EHADLO CCn1cc(CC[N@@H+]2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)cn1 ZINC000661798208 1042336934 /nfs/dbraw/zinc/33/69/34/1042336934.db2.gz LTUWIPJDKORVCA-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO CCn1cc(CC[N@H+]2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)cn1 ZINC000661798208 1042336940 /nfs/dbraw/zinc/33/69/40/1042336940.db2.gz LTUWIPJDKORVCA-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854718 1042365830 /nfs/dbraw/zinc/36/58/30/1042365830.db2.gz PGKJLRAKDAITNE-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854718 1042365834 /nfs/dbraw/zinc/36/58/34/1042365834.db2.gz PGKJLRAKDAITNE-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO CC[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000661864607 1042372438 /nfs/dbraw/zinc/37/24/38/1042372438.db2.gz KCNKRIRDXCLQFV-RBUKOAKNSA-N 1 2 340.471 3.729 20 0 EHADLO c1cc(-c2nc(C[NH+]3CCC([C@H]4CCCCO4)CC3)no2)cs1 ZINC000661870000 1042374662 /nfs/dbraw/zinc/37/46/62/1042374662.db2.gz ATPXHUYVHIEEDC-OAHLLOKOSA-N 1 2 333.457 3.579 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873301 1042380133 /nfs/dbraw/zinc/38/01/33/1042380133.db2.gz FHKCAPAXSIBINS-IAGOWNOFSA-N 1 2 333.476 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873301 1042380138 /nfs/dbraw/zinc/38/01/38/1042380138.db2.gz FHKCAPAXSIBINS-IAGOWNOFSA-N 1 2 333.476 3.898 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873158 1042380901 /nfs/dbraw/zinc/38/09/01/1042380901.db2.gz IKCXDPLLZUIWOR-DGCLKSJQSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873158 1042380904 /nfs/dbraw/zinc/38/09/04/1042380904.db2.gz IKCXDPLLZUIWOR-DGCLKSJQSA-N 1 2 345.306 3.687 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000026190169 1042416033 /nfs/dbraw/zinc/41/60/33/1042416033.db2.gz KTRSNINOOAQRRQ-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000026190169 1042416038 /nfs/dbraw/zinc/41/60/38/1042416038.db2.gz KTRSNINOOAQRRQ-CQSZACIVSA-N 1 2 344.480 3.876 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000661988630 1042445844 /nfs/dbraw/zinc/44/58/44/1042445844.db2.gz FXQWQXBDMOWSIK-GOSISDBHSA-N 1 2 344.503 3.543 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CC1 ZINC000661991042 1042449818 /nfs/dbraw/zinc/44/98/18/1042449818.db2.gz RRJBLVLNMYAQNY-WMLDXEAASA-N 1 2 335.517 3.571 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995229 1042450647 /nfs/dbraw/zinc/45/06/47/1042450647.db2.gz DFLSACAXXJZSPD-UHFFFAOYSA-N 1 2 343.446 3.586 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995229 1042450650 /nfs/dbraw/zinc/45/06/50/1042450650.db2.gz DFLSACAXXJZSPD-UHFFFAOYSA-N 1 2 343.446 3.586 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1 ZINC000181826007 1042480573 /nfs/dbraw/zinc/48/05/73/1042480573.db2.gz ONXCEDHYZXWTDL-KRWDZBQOSA-N 1 2 342.439 3.726 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccccc1F ZINC000026211747 1042492743 /nfs/dbraw/zinc/49/27/43/1042492743.db2.gz YGIWIXGMELIQKV-CQSZACIVSA-N 1 2 344.455 3.785 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccccc1F ZINC000026211747 1042492746 /nfs/dbraw/zinc/49/27/46/1042492746.db2.gz YGIWIXGMELIQKV-CQSZACIVSA-N 1 2 344.455 3.785 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C ZINC000663181323 1042529369 /nfs/dbraw/zinc/52/93/69/1042529369.db2.gz BTEUSKUSIPGKKF-QGZVFWFLSA-N 1 2 340.423 3.560 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C ZINC000663181323 1042529373 /nfs/dbraw/zinc/52/93/73/1042529373.db2.gz BTEUSKUSIPGKKF-QGZVFWFLSA-N 1 2 340.423 3.560 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1csc(C2CC2)n1 ZINC000662203886 1042589853 /nfs/dbraw/zinc/58/98/53/1042589853.db2.gz FMSXIGMHSBPRRB-UHFFFAOYSA-N 1 2 332.469 3.930 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1csc(C2CC2)n1 ZINC000662203886 1042589857 /nfs/dbraw/zinc/58/98/57/1042589857.db2.gz FMSXIGMHSBPRRB-UHFFFAOYSA-N 1 2 332.469 3.930 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@H](CC(F)(F)F)O1 ZINC000662242004 1042628040 /nfs/dbraw/zinc/62/80/40/1042628040.db2.gz KTCHMUJFMSGPEA-AAEUAGOBSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@H](CC(F)(F)F)O1 ZINC000662242004 1042628042 /nfs/dbraw/zinc/62/80/42/1042628042.db2.gz KTCHMUJFMSGPEA-AAEUAGOBSA-N 1 2 342.336 3.916 20 0 EHADLO Fc1ccc(C2CC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)c(F)c1 ZINC000893559503 1042643375 /nfs/dbraw/zinc/64/33/75/1042643375.db2.gz KNXPZVJHKMOPRD-RWKZGTHUSA-N 1 2 340.377 3.708 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298605 1042665946 /nfs/dbraw/zinc/66/59/46/1042665946.db2.gz PBWXFBZLEZIGNB-GOSISDBHSA-N 1 2 330.378 3.573 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298605 1042665949 /nfs/dbraw/zinc/66/59/49/1042665949.db2.gz PBWXFBZLEZIGNB-GOSISDBHSA-N 1 2 330.378 3.573 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(OC)ccc2OC)o1 ZINC000165212418 1042671090 /nfs/dbraw/zinc/67/10/90/1042671090.db2.gz HIJHYQDONWUZCE-DYVFJYSZSA-N 1 2 333.428 3.898 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OCCC(C)C ZINC000161857113 1042686159 /nfs/dbraw/zinc/68/61/59/1042686159.db2.gz NDENAJPSSCQWFX-MRXNPFEDSA-N 1 2 341.455 3.818 20 0 EHADLO COc1c(F)cccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001143524723 1042757153 /nfs/dbraw/zinc/75/71/53/1042757153.db2.gz KEFNLIUZJREWHH-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)n2)c1 ZINC000278873784 1042794793 /nfs/dbraw/zinc/79/47/93/1042794793.db2.gz YUAOJRRGEJAONQ-KCQAQPDRSA-N 1 2 337.427 3.742 20 0 EHADLO COc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1OC(F)F ZINC000121777911 1042812339 /nfs/dbraw/zinc/81/23/39/1042812339.db2.gz WVRGXYMOZIBWLI-UHFFFAOYSA-N 1 2 349.381 3.904 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000343949089 1042923226 /nfs/dbraw/zinc/92/32/26/1042923226.db2.gz WVSVZEDHELHINO-ZDUSSCGKSA-N 1 2 329.387 3.592 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H]1C(F)F ZINC000343949089 1042923233 /nfs/dbraw/zinc/92/32/33/1042923233.db2.gz WVSVZEDHELHINO-ZDUSSCGKSA-N 1 2 329.387 3.592 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026476440 1042940519 /nfs/dbraw/zinc/94/05/19/1042940519.db2.gz CRQZRFUQSJYSEE-QWHCGFSZSA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026476440 1042940521 /nfs/dbraw/zinc/94/05/21/1042940521.db2.gz CRQZRFUQSJYSEE-QWHCGFSZSA-N 1 2 344.377 3.687 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000303736350 1042944330 /nfs/dbraw/zinc/94/43/30/1042944330.db2.gz WTWYNODMDSQQLQ-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000303736350 1042944334 /nfs/dbraw/zinc/94/43/34/1042944334.db2.gz WTWYNODMDSQQLQ-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278922417 1042955065 /nfs/dbraw/zinc/95/50/65/1042955065.db2.gz IROXGGUTDLVSQO-UHFFFAOYSA-N 1 2 349.434 3.985 20 0 EHADLO CCc1nc(CN2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)cs1 ZINC000512050523 1043044040 /nfs/dbraw/zinc/04/40/40/1043044040.db2.gz CLJOCSOFRPXLLL-ARJAWSKDSA-N 1 2 345.487 3.676 20 0 EHADLO CCN(C)C(=O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344023241 1043115338 /nfs/dbraw/zinc/11/53/38/1043115338.db2.gz HWOKYSGMCLULDI-UHFFFAOYSA-N 1 2 329.271 3.651 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512118122 1043309476 /nfs/dbraw/zinc/30/94/76/1043309476.db2.gz GHOJYGLOKUXCIB-SJORKVTESA-N 1 2 344.503 3.566 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CCO2 ZINC000041012809 1043752710 /nfs/dbraw/zinc/75/27/10/1043752710.db2.gz NZEMJAOPHDLQAT-NSHDSACASA-N 1 2 325.231 3.519 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Cc1ccccc1 ZINC000279319889 1043926946 /nfs/dbraw/zinc/92/69/46/1043926946.db2.gz FXYKWHBITKEJPI-QGZVFWFLSA-N 1 2 335.494 3.500 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccsc1)Cc1ccccc1 ZINC000279319889 1043926952 /nfs/dbraw/zinc/92/69/52/1043926952.db2.gz FXYKWHBITKEJPI-QGZVFWFLSA-N 1 2 335.494 3.500 20 0 EHADLO O=C1C[C@H]([NH2+]Cc2csc(C3CC3)n2)CN1c1ccccc1Cl ZINC000344411761 1043973067 /nfs/dbraw/zinc/97/30/67/1043973067.db2.gz UBQRXNPBCWATGW-LBPRGKRZSA-N 1 2 347.871 3.569 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348572545 1044349221 /nfs/dbraw/zinc/34/92/21/1044349221.db2.gz CDBLYIAXLDJQGK-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348572545 1044349242 /nfs/dbraw/zinc/34/92/42/1044349242.db2.gz CDBLYIAXLDJQGK-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3ncnn3C(C)C)c(C)c2c1 ZINC000279711657 1044452785 /nfs/dbraw/zinc/45/27/85/1044452785.db2.gz KIWQPEKSAVIFQB-CYBMUJFWSA-N 1 2 328.416 3.773 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCOCCc3ccccc3)cc2[nH+]1 ZINC000051226843 1044457430 /nfs/dbraw/zinc/45/74/30/1044457430.db2.gz YHUJEKMKAULBDA-UHFFFAOYSA-N 1 2 337.423 3.849 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nonc1C)c1ccc(Cl)c(Cl)c1 ZINC000284804397 1044463444 /nfs/dbraw/zinc/46/34/44/1044463444.db2.gz OUVNRYZXZIJPCY-CYBMUJFWSA-N 1 2 330.215 3.552 20 0 EHADLO Cc1cc(NC(=O)c2ccnc(SCC(F)(F)F)c2)cc[nH+]1 ZINC000112638955 1044619151 /nfs/dbraw/zinc/61/91/51/1044619151.db2.gz HTKZSJMIZWXYKD-UHFFFAOYSA-N 1 2 327.331 3.692 20 0 EHADLO Cc1nc(NCCC[C@@H]2CCCCO2)c(Br)c(C)[nH+]1 ZINC000663802607 1044739194 /nfs/dbraw/zinc/73/91/94/1044739194.db2.gz VVEKVGYWNHZNPU-LBPRGKRZSA-N 1 2 328.254 3.617 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ncnn1C(C)(C)C ZINC000338233980 1044804454 /nfs/dbraw/zinc/80/44/54/1044804454.db2.gz JKXJVTSWXKQYEY-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ncnn1C(C)(C)C ZINC000338233980 1044804467 /nfs/dbraw/zinc/80/44/67/1044804467.db2.gz JKXJVTSWXKQYEY-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO COC[C@@H](Cc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153531623 1125626987 /nfs/dbraw/zinc/62/69/87/1125626987.db2.gz HBYQYDYEIZFNMJ-QGZVFWFLSA-N 1 2 325.387 3.681 20 0 EHADLO COC[C@H](Cc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153531740 1125627302 /nfs/dbraw/zinc/62/73/02/1125627302.db2.gz HBYQYDYEIZFNMJ-KRWDZBQOSA-N 1 2 325.387 3.681 20 0 EHADLO CC(C)([NH2+]Cc1ccccc1Cl)c1cn(-c2ccccc2)nn1 ZINC000154026022 1125686009 /nfs/dbraw/zinc/68/60/09/1125686009.db2.gz DIOOKIGROQLDQR-UHFFFAOYSA-N 1 2 326.831 3.946 20 0 EHADLO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)Cc1cscn1 ZINC000184988284 1126728873 /nfs/dbraw/zinc/72/88/73/1126728873.db2.gz IOKPCOOQDACMDT-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)Cc1cscn1 ZINC000184988284 1126728877 /nfs/dbraw/zinc/72/88/77/1126728877.db2.gz IOKPCOOQDACMDT-UHFFFAOYSA-N 1 2 348.468 3.609 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514722 1126742069 /nfs/dbraw/zinc/74/20/69/1126742069.db2.gz CKKRXAIIXZXYGW-HNAYVOBHSA-N 1 2 343.471 3.769 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514722 1126742071 /nfs/dbraw/zinc/74/20/71/1126742071.db2.gz CKKRXAIIXZXYGW-HNAYVOBHSA-N 1 2 343.471 3.769 20 0 EHADLO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c(F)c1 ZINC000336891443 1126814909 /nfs/dbraw/zinc/81/49/09/1126814909.db2.gz PTBWFSKNGRJRGQ-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCN(C)c1ccccc1 ZINC000671241065 1126816190 /nfs/dbraw/zinc/81/61/90/1126816190.db2.gz KDXVVWITHWUQCQ-INIZCTEOSA-N 1 2 336.439 3.866 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000671241065 1126816194 /nfs/dbraw/zinc/81/61/94/1126816194.db2.gz KDXVVWITHWUQCQ-INIZCTEOSA-N 1 2 336.439 3.866 20 0 EHADLO CCc1ccc(C)nc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000622915757 1126826625 /nfs/dbraw/zinc/82/66/25/1126826625.db2.gz OEQVUHXEMBCMSL-MRXNPFEDSA-N 1 2 331.847 3.847 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000173893712 1126842467 /nfs/dbraw/zinc/84/24/67/1126842467.db2.gz XSCWIUUEHYIACQ-AWEZNQCLSA-N 1 2 335.407 3.552 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000173893724 1126842690 /nfs/dbraw/zinc/84/26/90/1126842690.db2.gz XSCWIUUEHYIACQ-CQSZACIVSA-N 1 2 335.407 3.552 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121095 1126880256 /nfs/dbraw/zinc/88/02/56/1126880256.db2.gz PTTSTKRIWUWWNJ-CYBMUJFWSA-N 1 2 348.434 3.858 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121095 1126880260 /nfs/dbraw/zinc/88/02/60/1126880260.db2.gz PTTSTKRIWUWWNJ-CYBMUJFWSA-N 1 2 348.434 3.858 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000623185095 1126892201 /nfs/dbraw/zinc/89/22/01/1126892201.db2.gz KLPCFMGKKZKLHE-UHFFFAOYSA-N 1 2 334.423 3.595 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000623296698 1126910782 /nfs/dbraw/zinc/91/07/82/1126910782.db2.gz NYQVPNVJZGDJGR-RDJZCZTQSA-N 1 2 331.847 3.551 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000192717773 1126931658 /nfs/dbraw/zinc/93/16/58/1126931658.db2.gz XCLADHZSSXLYCO-OAHLLOKOSA-N 1 2 339.439 3.740 20 0 EHADLO Clc1cncc(Br)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001238390129 1127044064 /nfs/dbraw/zinc/04/40/64/1127044064.db2.gz QLWGIUJORQURRZ-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cncc(Br)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001238390129 1127044068 /nfs/dbraw/zinc/04/40/68/1127044068.db2.gz QLWGIUJORQURRZ-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Cn1c(C[NH2+]C2(c3cccc(Cl)c3)CC2)nnc1-c1ccccc1 ZINC000179667383 1127078754 /nfs/dbraw/zinc/07/87/54/1127078754.db2.gz BYANUKMPSSOTRA-UHFFFAOYSA-N 1 2 338.842 3.914 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179919125 1127099947 /nfs/dbraw/zinc/09/99/47/1127099947.db2.gz MKIIYDTWXXPYDX-LLVKDONJSA-N 1 2 335.375 3.627 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000179937602 1127101923 /nfs/dbraw/zinc/10/19/23/1127101923.db2.gz DCWUQTJKUBTCAQ-NSHDSACASA-N 1 2 336.794 3.777 20 0 EHADLO CC(C)([NH2+]Cc1ncc(Cl)cc1Cl)C(=O)NCC1CCCC1 ZINC000180222626 1127134018 /nfs/dbraw/zinc/13/40/18/1127134018.db2.gz VQVLTCDKDUWFIA-UHFFFAOYSA-N 1 2 344.286 3.563 20 0 EHADLO Cc1cccn2c(CNc3ccc4c(c3)[C@H](C)CC(=O)N4C)c[nH+]c12 ZINC000623791874 1127165360 /nfs/dbraw/zinc/16/53/60/1127165360.db2.gz ZZVOGMJJGFPCGU-CQSZACIVSA-N 1 2 334.423 3.725 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Nc1ccccc1)[NH+]1CCSCC1 ZINC000180797053 1127187323 /nfs/dbraw/zinc/18/73/23/1127187323.db2.gz FATQRNHIDQJSQN-OAHLLOKOSA-N 1 2 341.480 3.806 20 0 EHADLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000180937767 1127192410 /nfs/dbraw/zinc/19/24/10/1127192410.db2.gz UYUZWVRCLYJGRG-INIZCTEOSA-N 1 2 347.503 3.624 20 0 EHADLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000180937767 1127192412 /nfs/dbraw/zinc/19/24/12/1127192412.db2.gz UYUZWVRCLYJGRG-INIZCTEOSA-N 1 2 347.503 3.624 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623904360 1127212554 /nfs/dbraw/zinc/21/25/54/1127212554.db2.gz AWUDSYDTPRCLIU-LBPRGKRZSA-N 1 2 340.395 3.920 20 0 EHADLO CCc1ccc([C@H]2COCCN2c2nc3ccccc3n3c[nH+]cc23)o1 ZINC000624023793 1127235624 /nfs/dbraw/zinc/23/56/24/1127235624.db2.gz KRRPSJJREBLZNQ-GOSISDBHSA-N 1 2 348.406 3.616 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181227076 1127270875 /nfs/dbraw/zinc/27/08/75/1127270875.db2.gz XIMBSUFKKSDZHA-VQIMIIECSA-N 1 2 349.434 3.994 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000181758651 1127294273 /nfs/dbraw/zinc/29/42/73/1127294273.db2.gz AWLPTDFEPFDZMG-NSHDSACASA-N 1 2 338.785 3.585 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1 ZINC000181833707 1127298547 /nfs/dbraw/zinc/29/85/47/1127298547.db2.gz OIZUHCKTDLITOW-MRXNPFEDSA-N 1 2 343.452 3.568 20 0 EHADLO CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)[C@H]1c1cccnc1 ZINC000624237622 1127334236 /nfs/dbraw/zinc/33/42/36/1127334236.db2.gz AEKHVZRZNIQAKQ-SFHVURJKSA-N 1 2 329.407 3.865 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182876293 1127351535 /nfs/dbraw/zinc/35/15/35/1127351535.db2.gz VOKIBPIFGYLAAO-ZDUSSCGKSA-N 1 2 347.846 3.753 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000182880745 1127352623 /nfs/dbraw/zinc/35/26/23/1127352623.db2.gz GNZHLOXRFWGEFD-CYBMUJFWSA-N 1 2 349.381 3.693 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1Cl ZINC000182882194 1127352696 /nfs/dbraw/zinc/35/26/96/1127352696.db2.gz PLAFUFHEWQPMFO-LBPRGKRZSA-N 1 2 335.810 3.884 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000182911358 1127353443 /nfs/dbraw/zinc/35/34/43/1127353443.db2.gz VXEVNSWQAFRWGQ-KRWDZBQOSA-N 1 2 328.412 3.772 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c(F)c1 ZINC000183538755 1127380575 /nfs/dbraw/zinc/38/05/75/1127380575.db2.gz SVEGHLMRTMKJSL-HNNXBMFYSA-N 1 2 334.416 3.618 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)s1 ZINC000183938143 1127390095 /nfs/dbraw/zinc/39/00/95/1127390095.db2.gz BLLVEIGGGIHQDQ-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000184138343 1127395887 /nfs/dbraw/zinc/39/58/87/1127395887.db2.gz YHXIQZPJBNNNQL-RYUDHWBXSA-N 1 2 337.876 3.633 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000184247914 1127399651 /nfs/dbraw/zinc/39/96/51/1127399651.db2.gz RIUKDARYWVNNJM-GOEBONIOSA-N 1 2 331.485 3.760 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184527158 1127407962 /nfs/dbraw/zinc/40/79/62/1127407962.db2.gz WDTZUZAZBLWBII-RHSMWYFYSA-N 1 2 344.455 3.881 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1SC)c1ccc(C)o1 ZINC000184728139 1127411821 /nfs/dbraw/zinc/41/18/21/1127411821.db2.gz WOQBTAWQHMLFNU-ZFWWWQNUSA-N 1 2 348.468 3.614 20 0 EHADLO O=C(/C=C/c1ccc(O)cc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000764035083 1127411879 /nfs/dbraw/zinc/41/18/79/1127411879.db2.gz SCLPFPCUXPUNLA-FPYGCLRLSA-N 1 2 339.782 3.883 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000185056971 1127419378 /nfs/dbraw/zinc/41/93/78/1127419378.db2.gz PNPBMFJOSLZPDD-GFCCVEGCSA-N 1 2 343.374 3.841 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1OC ZINC000764767272 1127529280 /nfs/dbraw/zinc/52/92/80/1127529280.db2.gz AFPMHUCVWUAEAD-OAHLLOKOSA-N 1 2 344.484 3.602 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1OC ZINC000764767272 1127529283 /nfs/dbraw/zinc/52/92/83/1127529283.db2.gz AFPMHUCVWUAEAD-OAHLLOKOSA-N 1 2 344.484 3.602 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000765026733 1127566939 /nfs/dbraw/zinc/56/69/39/1127566939.db2.gz RSOOQBFSOQUCKL-JQVXPOPVSA-N 1 2 335.275 3.638 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000765026733 1127566941 /nfs/dbraw/zinc/56/69/41/1127566941.db2.gz RSOOQBFSOQUCKL-JQVXPOPVSA-N 1 2 335.275 3.638 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3F)CC2)c1 ZINC001127837191 1127585729 /nfs/dbraw/zinc/58/57/29/1127585729.db2.gz QWXVLKGTMJTTCL-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000765318001 1127598345 /nfs/dbraw/zinc/59/83/45/1127598345.db2.gz GZCQAZIHOSTKQO-QAPCUYQASA-N 1 2 346.471 3.534 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cn(-c3ccccc3)nn2)C2CC2)c(F)c1 ZINC001168540900 1127614552 /nfs/dbraw/zinc/61/45/52/1127614552.db2.gz FHGRYQLCHVKWMM-LJQANCHMSA-N 1 2 340.377 3.786 20 0 EHADLO Cc1ccc(F)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290675 1127691237 /nfs/dbraw/zinc/69/12/37/1127691237.db2.gz DVHPYBPWIDKQMQ-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC000355547807 1127736133 /nfs/dbraw/zinc/73/61/33/1127736133.db2.gz QRJUHOIVOCECAS-XWTMOSNGSA-N 1 2 329.488 3.733 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000027470138 1127780959 /nfs/dbraw/zinc/78/09/59/1127780959.db2.gz DVZBRMDTRJWUHY-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO CCc1ccc(CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000029027492 1127793555 /nfs/dbraw/zinc/79/35/55/1127793555.db2.gz ALSJDGFFVOSBAK-UHFFFAOYSA-N 1 2 347.462 3.743 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265585360 1127797036 /nfs/dbraw/zinc/79/70/36/1127797036.db2.gz DNBPUVZGJOYZGP-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152892 1127814567 /nfs/dbraw/zinc/81/45/67/1127814567.db2.gz BRXBEJOFLLJIDH-FZKQIMNGSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152892 1127814570 /nfs/dbraw/zinc/81/45/70/1127814570.db2.gz BRXBEJOFLLJIDH-FZKQIMNGSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000030220337 1127816007 /nfs/dbraw/zinc/81/60/07/1127816007.db2.gz WOMPFNQJSJBHKA-QGZVFWFLSA-N 1 2 333.435 3.741 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000031342359 1127833617 /nfs/dbraw/zinc/83/36/17/1127833617.db2.gz NRSTVWAKMYLWON-UHFFFAOYSA-N 1 2 349.434 3.727 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000043485901 1127921115 /nfs/dbraw/zinc/92/11/15/1127921115.db2.gz JLJHUPWIBWAZQR-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO Cc1cc(Br)oc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000044464210 1127936977 /nfs/dbraw/zinc/93/69/77/1127936977.db2.gz SAZBFPBSFZGHEG-UHFFFAOYSA-N 1 2 346.184 3.789 20 0 EHADLO Cc1nc2c(F)cccc2cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212356140 1127948851 /nfs/dbraw/zinc/94/88/51/1127948851.db2.gz NUJCUBZJZQECFV-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO O=C(CSc1ccc(F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860102 1127962318 /nfs/dbraw/zinc/96/23/18/1127962318.db2.gz FRFFPJBZAFCAOP-UHFFFAOYSA-N 1 2 327.384 3.742 20 0 EHADLO C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCC1 ZINC000172450809 1127979496 /nfs/dbraw/zinc/97/94/96/1127979496.db2.gz HPAPVTSJOIVOTB-HNNXBMFYSA-N 1 2 342.443 3.662 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000046879295 1127994210 /nfs/dbraw/zinc/99/42/10/1127994210.db2.gz DHNITYXSIFOQRB-MAUKXSAKSA-N 1 2 328.460 3.748 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000046944986 1127995618 /nfs/dbraw/zinc/99/56/18/1127995618.db2.gz IYBJVDQNZLZZHN-CQSZACIVSA-N 1 2 344.484 3.666 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000047248064 1128004203 /nfs/dbraw/zinc/00/42/03/1128004203.db2.gz GVARKHZPRQWDHF-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO Fc1c(Cl)ccc(Nc2ccc[nH+]c2N2CCOCC2)c1F ZINC001212362892 1128004633 /nfs/dbraw/zinc/00/46/33/1128004633.db2.gz TZUCIGZROBVZKO-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@H](C)Cn3cc[nH+]c3)CCCCC2)c1 ZINC000058298592 1128066072 /nfs/dbraw/zinc/06/60/72/1128066072.db2.gz ZVQNTUQUDONZKM-QGZVFWFLSA-N 1 2 325.456 3.598 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)ccn1 ZINC000347550377 1128069632 /nfs/dbraw/zinc/06/96/32/1128069632.db2.gz CKQYUPUGCWLCAB-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000064412039 1128072999 /nfs/dbraw/zinc/07/29/99/1128072999.db2.gz GYPZXXGKENQPOQ-UHFFFAOYSA-N 1 2 330.409 3.710 20 0 EHADLO CCCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000060628264 1128110854 /nfs/dbraw/zinc/11/08/54/1128110854.db2.gz WWSJDYPRMPSLRY-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000347576234 1128113289 /nfs/dbraw/zinc/11/32/89/1128113289.db2.gz DTHNDSAPQMNVBL-KRWDZBQOSA-N 1 2 346.521 3.777 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000347576234 1128113292 /nfs/dbraw/zinc/11/32/92/1128113292.db2.gz DTHNDSAPQMNVBL-KRWDZBQOSA-N 1 2 346.521 3.777 20 0 EHADLO Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000060868412 1128115656 /nfs/dbraw/zinc/11/56/56/1128115656.db2.gz VMBDHNRSRROGHD-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC(C)COC[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccco1 ZINC000347610821 1128137400 /nfs/dbraw/zinc/13/74/00/1128137400.db2.gz FNPWDKIFIVQLGL-SFHVURJKSA-N 1 2 348.487 3.517 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000671750213 1128202665 /nfs/dbraw/zinc/20/26/65/1128202665.db2.gz KCLZAMPAXKLPGH-UWVGGRQHSA-N 1 2 333.413 3.548 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000068420292 1128266209 /nfs/dbraw/zinc/26/62/09/1128266209.db2.gz LOSWFOJJESMKIL-MRXNPFEDSA-N 1 2 341.455 3.592 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)c1C ZINC000066854546 1128229071 /nfs/dbraw/zinc/22/90/71/1128229071.db2.gz OHVYZFHAWOASTQ-CYBMUJFWSA-N 1 2 326.440 3.752 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)c1C ZINC000066854546 1128229073 /nfs/dbraw/zinc/22/90/73/1128229073.db2.gz OHVYZFHAWOASTQ-CYBMUJFWSA-N 1 2 326.440 3.752 20 0 EHADLO Cc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)no1 ZINC000066875365 1128229447 /nfs/dbraw/zinc/22/94/47/1128229447.db2.gz CVZIEOYUMDEZHL-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO COc1c(C)cc([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1Cl ZINC000671757481 1128236064 /nfs/dbraw/zinc/23/60/64/1128236064.db2.gz NKXWRIHSHZXHLH-ZDUSSCGKSA-N 1 2 349.862 3.654 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069088709 1128281886 /nfs/dbraw/zinc/28/18/86/1128281886.db2.gz UUZWFQXIORFQJI-CYBMUJFWSA-N 1 2 340.452 3.811 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069088709 1128281888 /nfs/dbraw/zinc/28/18/88/1128281888.db2.gz UUZWFQXIORFQJI-CYBMUJFWSA-N 1 2 340.452 3.811 20 0 EHADLO CC(C)Oc1cccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000070827234 1128296190 /nfs/dbraw/zinc/29/61/90/1128296190.db2.gz UAPNPDMUKZORBX-UHFFFAOYSA-N 1 2 349.434 3.518 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1CC(F)(F)F ZINC000072770453 1128305132 /nfs/dbraw/zinc/30/51/32/1128305132.db2.gz UJORCNUEDPYTOH-TXEJJXNPSA-N 1 2 348.434 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1CC(F)(F)F ZINC000072770453 1128305133 /nfs/dbraw/zinc/30/51/33/1128305133.db2.gz UJORCNUEDPYTOH-TXEJJXNPSA-N 1 2 348.434 3.676 20 0 EHADLO Cc1ccc(Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000073024015 1128313811 /nfs/dbraw/zinc/31/38/11/1128313811.db2.gz YDNWPMNOKLZTKJ-UHFFFAOYSA-N 1 2 334.423 3.755 20 0 EHADLO O=C(Cn1cc[nH+]c1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000073284118 1128319575 /nfs/dbraw/zinc/31/95/75/1128319575.db2.gz ODBDUEVZFRFNRE-UHFFFAOYSA-N 1 2 325.799 3.520 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000073809723 1128329368 /nfs/dbraw/zinc/32/93/68/1128329368.db2.gz GANMPSLWTIAHES-DOTOQJQBSA-N 1 2 344.459 3.748 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3noc4c3CCCC4)cc2)[nH+]c1C ZINC000921664949 1128443485 /nfs/dbraw/zinc/44/34/85/1128443485.db2.gz HHSVPEHESSORRF-UHFFFAOYSA-N 1 2 336.395 3.813 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C)C(=O)OC(C)(C)C)cc2)[nH+]c1C ZINC000921657047 1128438494 /nfs/dbraw/zinc/43/84/94/1128438494.db2.gz WFXOQRUMSQTAQD-LLVKDONJSA-N 1 2 343.427 3.610 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCC(=O)[C@@H]3C)cc2)[nH+]c1C ZINC000921658326 1128438681 /nfs/dbraw/zinc/43/86/81/1128438681.db2.gz RGMYPRXGMCDHEC-IAQYHMDHSA-N 1 2 325.412 3.637 20 0 EHADLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921659004 1128439155 /nfs/dbraw/zinc/43/91/55/1128439155.db2.gz GUZVYMZUCXDZOT-IRXDYDNUSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3cscc3Br)nc12 ZINC000352776608 1128447205 /nfs/dbraw/zinc/44/72/05/1128447205.db2.gz TXUDHIOTMVLOKQ-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000352886950 1128457636 /nfs/dbraw/zinc/45/76/36/1128457636.db2.gz XTGLVEUPMFWRFA-IBGZPJMESA-N 1 2 347.418 3.649 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000352886950 1128457637 /nfs/dbraw/zinc/45/76/37/1128457637.db2.gz XTGLVEUPMFWRFA-IBGZPJMESA-N 1 2 347.418 3.649 20 0 EHADLO FC(F)(F)C1(CNc2cc(N3CCSCC3)nc[nH+]2)CCCC1 ZINC000624707236 1128465899 /nfs/dbraw/zinc/46/58/99/1128465899.db2.gz OADOVPRBIXYBAL-UHFFFAOYSA-N 1 2 346.422 3.564 20 0 EHADLO FC(F)(F)C1(CNc2cc(N3CCSCC3)[nH+]cn2)CCCC1 ZINC000624707236 1128465900 /nfs/dbraw/zinc/46/59/00/1128465900.db2.gz OADOVPRBIXYBAL-UHFFFAOYSA-N 1 2 346.422 3.564 20 0 EHADLO CC(=O)n1ncc2ccc(Nc3ccc[nH+]c3N3CCCCC3)cc21 ZINC001212412128 1128477603 /nfs/dbraw/zinc/47/76/03/1128477603.db2.gz OUSVYLVIVKYDAE-UHFFFAOYSA-N 1 2 335.411 3.825 20 0 EHADLO COc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(C)c1OC ZINC000347641455 1128504086 /nfs/dbraw/zinc/50/40/86/1128504086.db2.gz RXPBQSOCIJRIGV-IBGZPJMESA-N 1 2 340.467 3.501 20 0 EHADLO COc1ccc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c(C)c1OC ZINC000347641455 1128504089 /nfs/dbraw/zinc/50/40/89/1128504089.db2.gz RXPBQSOCIJRIGV-IBGZPJMESA-N 1 2 340.467 3.501 20 0 EHADLO CCCc1ccc(CNc2nc3[nH]c(C(=O)OCC)cc3c[nH+]2)cc1 ZINC001168635202 1128520399 /nfs/dbraw/zinc/52/03/99/1128520399.db2.gz GJPSNEQFFCVCFV-UHFFFAOYSA-N 1 2 338.411 3.651 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000542701458 1128545333 /nfs/dbraw/zinc/54/53/33/1128545333.db2.gz GBVVVZRGAXGDSS-CYBMUJFWSA-N 1 2 335.341 3.768 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000542701458 1128545336 /nfs/dbraw/zinc/54/53/36/1128545336.db2.gz GBVVVZRGAXGDSS-CYBMUJFWSA-N 1 2 335.341 3.768 20 0 EHADLO CC(C)COc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000056631611 1128571378 /nfs/dbraw/zinc/57/13/78/1128571378.db2.gz QKXGQTILZJDSOC-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO Cn1cncc1C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000353581153 1128598981 /nfs/dbraw/zinc/59/89/81/1128598981.db2.gz KLHYAIOMZASIAN-MRXNPFEDSA-N 1 2 346.228 3.655 20 0 EHADLO Cn1c[nH+]cc1CN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000353581153 1128598983 /nfs/dbraw/zinc/59/89/83/1128598983.db2.gz KLHYAIOMZASIAN-MRXNPFEDSA-N 1 2 346.228 3.655 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000057373333 1128633589 /nfs/dbraw/zinc/63/35/89/1128633589.db2.gz WBLUTECGGGWWDD-KRWDZBQOSA-N 1 2 346.862 3.863 20 0 EHADLO CCc1ccc([C@@H](NC(=O)NCCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000057378098 1128634089 /nfs/dbraw/zinc/63/40/89/1128634089.db2.gz RENTWTJMIMZEDO-IBGZPJMESA-N 1 2 342.487 3.922 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057375857 1128634479 /nfs/dbraw/zinc/63/44/79/1128634479.db2.gz BPEJIQJAWJCMNZ-MRXNPFEDSA-N 1 2 344.459 3.511 20 0 EHADLO c1cc2c(c([C@H]3CCC[N@H+]3Cc3noc4c3CCCC4)c1)OCCO2 ZINC000108859291 1128669076 /nfs/dbraw/zinc/66/90/76/1128669076.db2.gz WPKLTSHNIGDTNM-QGZVFWFLSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(c([C@H]3CCC[N@@H+]3Cc3noc4c3CCCC4)c1)OCCO2 ZINC000108859291 1128669080 /nfs/dbraw/zinc/66/90/80/1128669080.db2.gz WPKLTSHNIGDTNM-QGZVFWFLSA-N 1 2 340.423 3.662 20 0 EHADLO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000921740553 1128706583 /nfs/dbraw/zinc/70/65/83/1128706583.db2.gz MIFRMSPAAAEQTI-UHFFFAOYSA-N 1 2 345.859 3.749 20 0 EHADLO Cc1[nH+]ccn1-c1ccccc1CN=c1nc(-c2ccccc2)[nH]s1 ZINC000338710981 1128731696 /nfs/dbraw/zinc/73/16/96/1128731696.db2.gz BAUQJTCEVCPWIX-UHFFFAOYSA-N 1 2 347.447 3.733 20 0 EHADLO CCCOc1cccc2c(N[C@@H]3CCN(C4CCC4)C3=O)cc[nH+]c12 ZINC000624784702 1128747124 /nfs/dbraw/zinc/74/71/24/1128747124.db2.gz NDYSKTJRJVSCBT-QGZVFWFLSA-N 1 2 339.439 3.589 20 0 EHADLO CC[C@](C)([NH2+]Cc1ccc(Br)cn1)c1nccs1 ZINC000265762149 1128795511 /nfs/dbraw/zinc/79/55/11/1128795511.db2.gz KCFALYGNFUBOMC-ZDUSSCGKSA-N 1 2 326.263 3.716 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)sc2c1 ZINC000672147534 1128800229 /nfs/dbraw/zinc/80/02/29/1128800229.db2.gz PMWJUJGDXWZLGL-LLVKDONJSA-N 1 2 345.855 3.804 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672151064 1128805856 /nfs/dbraw/zinc/80/58/56/1128805856.db2.gz VATHVVCXECKAFA-QAPCUYQASA-N 1 2 325.456 3.631 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@H](C)O1 ZINC000656258498 1128840236 /nfs/dbraw/zinc/84/02/36/1128840236.db2.gz TZUMUWTXGPXWBT-DOTOQJQBSA-N 1 2 346.496 3.663 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@H](C)O1 ZINC000656258498 1128840240 /nfs/dbraw/zinc/84/02/40/1128840240.db2.gz TZUMUWTXGPXWBT-DOTOQJQBSA-N 1 2 346.496 3.663 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000672189369 1128840353 /nfs/dbraw/zinc/84/03/53/1128840353.db2.gz VYVIVLREWXLVOD-GFCCVEGCSA-N 1 2 349.887 3.630 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000672189369 1128840356 /nfs/dbraw/zinc/84/03/56/1128840356.db2.gz VYVIVLREWXLVOD-GFCCVEGCSA-N 1 2 349.887 3.630 20 0 EHADLO Cn1nc2c(c1CNc1ccc(-c3[nH+]cc4n3CCCC4)cc1)CCC2 ZINC000921879455 1128869318 /nfs/dbraw/zinc/86/93/18/1128869318.db2.gz UAJQGXFEHFGXDF-UHFFFAOYSA-N 1 2 347.466 3.721 20 0 EHADLO CC(C)(C)NC(=O)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672253299 1128885374 /nfs/dbraw/zinc/88/53/74/1128885374.db2.gz SMDDFOPHYSFSJC-UHFFFAOYSA-N 1 2 346.862 3.518 20 0 EHADLO COC(=O)c1ccc(CNc2cc3cc[nH]c3c[nH+]2)c(C(F)(F)F)c1 ZINC001660144241 1120107210 /nfs/dbraw/zinc/10/72/10/1120107210.db2.gz CTZUBKWSUPVNEU-UHFFFAOYSA-N 1 2 349.312 3.980 20 0 EHADLO CSc1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000148333572 1120170099 /nfs/dbraw/zinc/17/00/99/1120170099.db2.gz KFSMITBCGVSXGN-KRWDZBQOSA-N 1 2 329.465 3.688 20 0 EHADLO CSc1ccccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000148333572 1120170100 /nfs/dbraw/zinc/17/01/00/1120170100.db2.gz KFSMITBCGVSXGN-KRWDZBQOSA-N 1 2 329.465 3.688 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001687360692 1120175915 /nfs/dbraw/zinc/17/59/15/1120175915.db2.gz JHSYJOGEZDUKOJ-FXAWDEMLSA-N 1 2 341.499 3.785 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001687360692 1120175918 /nfs/dbraw/zinc/17/59/18/1120175918.db2.gz JHSYJOGEZDUKOJ-FXAWDEMLSA-N 1 2 341.499 3.785 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC001687360961 1120176060 /nfs/dbraw/zinc/17/60/60/1120176060.db2.gz MPFZLWGZTJASTG-SFHVURJKSA-N 1 2 341.842 3.552 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC001687360961 1120176061 /nfs/dbraw/zinc/17/60/61/1120176061.db2.gz MPFZLWGZTJASTG-SFHVURJKSA-N 1 2 341.842 3.552 20 0 EHADLO O=C(Nc1ccc2nc(C(F)F)sc2c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000672299820 1128911955 /nfs/dbraw/zinc/91/19/55/1128911955.db2.gz QTDXZXOVJMGEEU-VIFPVBQESA-N 1 2 348.378 3.632 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000185033094 1120397233 /nfs/dbraw/zinc/39/72/33/1120397233.db2.gz VMCURQXBFHVMIJ-OAQYLSRUSA-N 1 2 348.446 3.943 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[S@@]1=O ZINC000185246101 1120406175 /nfs/dbraw/zinc/40/61/75/1120406175.db2.gz NNUUXJZRTTUYFS-QFIPXVFZSA-N 1 2 333.419 3.829 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[S@@]1=O ZINC000185246101 1120406177 /nfs/dbraw/zinc/40/61/77/1120406177.db2.gz NNUUXJZRTTUYFS-QFIPXVFZSA-N 1 2 333.419 3.829 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187101449 1120486671 /nfs/dbraw/zinc/48/66/71/1120486671.db2.gz QSKMTCIAMLZJGM-UHFFFAOYSA-N 1 2 347.344 3.526 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cc(OC)ccc3o2)CC[S@]1=O ZINC000187567047 1120503645 /nfs/dbraw/zinc/50/36/45/1120503645.db2.gz KUVIDAPNIBIFIS-HSZRJFAPSA-N 1 2 335.469 3.565 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[S@]1=O ZINC000187567047 1120503648 /nfs/dbraw/zinc/50/36/48/1120503648.db2.gz KUVIDAPNIBIFIS-HSZRJFAPSA-N 1 2 335.469 3.565 20 0 EHADLO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ncc(C)s3)o2)cc1 ZINC000152576125 1120548041 /nfs/dbraw/zinc/54/80/41/1120548041.db2.gz XQENVKCYEOAXJJ-UHFFFAOYSA-N 1 2 342.420 3.788 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189385222 1120581075 /nfs/dbraw/zinc/58/10/75/1120581075.db2.gz RXHOASPJQMXSAC-UHFFFAOYSA-N 1 2 348.834 3.537 20 0 EHADLO NC(=O)c1coc(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)c1 ZINC000189402580 1120582962 /nfs/dbraw/zinc/58/29/62/1120582962.db2.gz XILAZQIETUVGJY-UHFFFAOYSA-N 1 2 348.830 3.643 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190190123 1120628922 /nfs/dbraw/zinc/62/89/22/1120628922.db2.gz YJVLSCJODONMEU-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190190123 1120628923 /nfs/dbraw/zinc/62/89/23/1120628923.db2.gz YJVLSCJODONMEU-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190194414 1120629190 /nfs/dbraw/zinc/62/91/90/1120629190.db2.gz ZRIUOMUQASQLTL-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190194414 1120629193 /nfs/dbraw/zinc/62/91/93/1120629193.db2.gz ZRIUOMUQASQLTL-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153112100 1120690636 /nfs/dbraw/zinc/69/06/36/1120690636.db2.gz GNMYGJCCUHSTHY-LBPRGKRZSA-N 1 2 328.551 3.803 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153112100 1120690637 /nfs/dbraw/zinc/69/06/37/1120690637.db2.gz GNMYGJCCUHSTHY-LBPRGKRZSA-N 1 2 328.551 3.803 20 0 EHADLO CN(C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000192782302 1120748799 /nfs/dbraw/zinc/74/87/99/1120748799.db2.gz UDRZMBZUTZHDFU-INIZCTEOSA-N 1 2 334.851 3.810 20 0 EHADLO CCCN(CCC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193604994 1120787536 /nfs/dbraw/zinc/78/75/36/1120787536.db2.gz UEUOYNOQUNVXDR-IAGOWNOFSA-N 1 2 347.503 3.950 20 0 EHADLO CCCOc1cccc2c(NCc3ccc(C(N)=O)cc3)cc[nH+]c12 ZINC000194697016 1120855897 /nfs/dbraw/zinc/85/58/97/1120855897.db2.gz JCCXMWFNQDOOBI-UHFFFAOYSA-N 1 2 335.407 3.735 20 0 EHADLO COc1ccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000194945111 1120872239 /nfs/dbraw/zinc/87/22/39/1120872239.db2.gz OVDITWLELJLSFC-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1sc2ncnc(NC3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000076772089 1128948325 /nfs/dbraw/zinc/94/83/25/1128948325.db2.gz MXIJIXXBRLCHFT-UHFFFAOYSA-N 1 2 339.468 3.784 20 0 EHADLO S=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2ccccc2c1 ZINC000761837351 1120980111 /nfs/dbraw/zinc/98/01/11/1120980111.db2.gz HHGWZXULQSHUSV-UHFFFAOYSA-N 1 2 332.432 3.974 20 0 EHADLO CC(C)CC1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000154502921 1120984395 /nfs/dbraw/zinc/98/43/95/1120984395.db2.gz CYLALBGSCPCWRN-DLBZAZTESA-N 1 2 332.492 3.692 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000921944663 1128954816 /nfs/dbraw/zinc/95/48/16/1128954816.db2.gz XMTAQKPHXNCEQY-UHFFFAOYSA-N 1 2 329.469 3.649 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccccn1 ZINC000230306700 1121001068 /nfs/dbraw/zinc/00/10/68/1121001068.db2.gz LENMITXAHIXOEQ-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1cccnc1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230308396 1121001244 /nfs/dbraw/zinc/00/12/44/1121001244.db2.gz CHHYZBZOODYXSG-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO C[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCCO1 ZINC000230343179 1121002067 /nfs/dbraw/zinc/00/20/67/1121002067.db2.gz PABJMIOQUXZSLM-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO C[N@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCCO1 ZINC000230343179 1121002071 /nfs/dbraw/zinc/00/20/71/1121002071.db2.gz PABJMIOQUXZSLM-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000122651810 1121006033 /nfs/dbraw/zinc/00/60/33/1121006033.db2.gz GSQPPJCCEFVOFP-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000122651810 1121006038 /nfs/dbraw/zinc/00/60/38/1121006038.db2.gz GSQPPJCCEFVOFP-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC(C1CCCC1)C1CCCC1 ZINC000762043625 1121069641 /nfs/dbraw/zinc/06/96/41/1121069641.db2.gz BAFFFYHDNROHHC-UHFFFAOYSA-N 1 2 340.471 3.883 20 0 EHADLO Cc1cccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000302893243 1121105087 /nfs/dbraw/zinc/10/50/87/1121105087.db2.gz XJMJAROXRURYJL-IZZDOVSWSA-N 1 2 348.490 3.785 20 0 EHADLO CCCC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1Cl ZINC000064807408 1128964636 /nfs/dbraw/zinc/96/46/36/1128964636.db2.gz ZPGUCDCZWYFZRM-UHFFFAOYSA-N 1 2 336.785 3.621 20 0 EHADLO CCCC[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1Cl ZINC000064807408 1128964641 /nfs/dbraw/zinc/96/46/41/1128964641.db2.gz ZPGUCDCZWYFZRM-UHFFFAOYSA-N 1 2 336.785 3.621 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3ccccc3C2)CCN1c1ccccc1Cl ZINC000303432793 1121147008 /nfs/dbraw/zinc/14/70/08/1121147008.db2.gz CQOJHRBQDJYVEA-SFHVURJKSA-N 1 2 326.827 3.504 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3ccccc3C2)CCN1c1ccccc1Cl ZINC000303432793 1121147010 /nfs/dbraw/zinc/14/70/10/1121147010.db2.gz CQOJHRBQDJYVEA-SFHVURJKSA-N 1 2 326.827 3.504 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455401 1121149480 /nfs/dbraw/zinc/14/94/80/1121149480.db2.gz JTUCZHXYVZLXNG-BBRMVZONSA-N 1 2 340.870 3.996 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455401 1121149484 /nfs/dbraw/zinc/14/94/84/1121149484.db2.gz JTUCZHXYVZLXNG-BBRMVZONSA-N 1 2 340.870 3.996 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000915210174 1121254695 /nfs/dbraw/zinc/25/46/95/1121254695.db2.gz WKDJJRXEMRNEQE-BHYGNILZSA-N 1 2 340.467 3.691 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000915210174 1121254698 /nfs/dbraw/zinc/25/46/98/1121254698.db2.gz WKDJJRXEMRNEQE-BHYGNILZSA-N 1 2 340.467 3.691 20 0 EHADLO O=C1c2ccc(F)cc2C(=O)N1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762468055 1121313605 /nfs/dbraw/zinc/31/36/05/1121313605.db2.gz VUPRJYQZSLPCMP-SFHVURJKSA-N 1 2 338.382 3.606 20 0 EHADLO O=C1c2ccc(F)cc2C(=O)N1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000762468055 1121313612 /nfs/dbraw/zinc/31/36/12/1121313612.db2.gz VUPRJYQZSLPCMP-SFHVURJKSA-N 1 2 338.382 3.606 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000171677203 1121413693 /nfs/dbraw/zinc/41/36/93/1121413693.db2.gz UDMJKRBLLZOGBT-ZDUSSCGKSA-N 1 2 328.441 3.548 20 0 EHADLO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C1CC1 ZINC000915465742 1121418763 /nfs/dbraw/zinc/41/87/63/1121418763.db2.gz IYQBFCWDSKAHFW-RYUDHWBXSA-N 1 2 334.464 3.920 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000495849070 1121544316 /nfs/dbraw/zinc/54/43/16/1121544316.db2.gz MTERTCMLYZOOOL-INIZCTEOSA-N 1 2 346.427 3.566 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000495849070 1121544321 /nfs/dbraw/zinc/54/43/21/1121544321.db2.gz MTERTCMLYZOOOL-INIZCTEOSA-N 1 2 346.427 3.566 20 0 EHADLO Cc1cc(F)c(C[NH+]2CC3(C2)CCCOC3)c(Br)c1 ZINC001235459582 1121591854 /nfs/dbraw/zinc/59/18/54/1121591854.db2.gz FHMPRDGYGXRCHH-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Br)cc1 ZINC000393517509 1121643832 /nfs/dbraw/zinc/64/38/32/1121643832.db2.gz QTIVAMGKNOWVPI-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO O=C(COc1cccc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224770 1121749517 /nfs/dbraw/zinc/74/95/17/1121749517.db2.gz MOTFHFDUKKQPOQ-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO O=C(CSc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224942 1121750798 /nfs/dbraw/zinc/75/07/98/1121750798.db2.gz HAPKXAMWMOJGAY-UHFFFAOYSA-N 1 2 327.384 3.742 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000194296062 1121840294 /nfs/dbraw/zinc/84/02/94/1121840294.db2.gz WHMBIXJRDJJRAH-HXUWFJFHSA-N 1 2 348.450 3.556 20 0 EHADLO c1c2ccccc2n2c1C[N@H+](C[C@H]1COc3ccccc3O1)CCC2 ZINC000672579207 1129018500 /nfs/dbraw/zinc/01/85/00/1129018500.db2.gz VMWNUUIJHOTPLD-SFHVURJKSA-N 1 2 334.419 3.687 20 0 EHADLO c1c2ccccc2n2c1C[N@@H+](C[C@H]1COc3ccccc3O1)CCC2 ZINC000672579207 1129018504 /nfs/dbraw/zinc/01/85/04/1129018504.db2.gz VMWNUUIJHOTPLD-SFHVURJKSA-N 1 2 334.419 3.687 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc(Br)ccc1Cl ZINC000763287435 1121943720 /nfs/dbraw/zinc/94/37/20/1121943720.db2.gz NIOYIBVPLDIZQF-UHFFFAOYSA-N 1 2 343.608 3.546 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nc2sc3ccccc3n12 ZINC000763330293 1121961385 /nfs/dbraw/zinc/96/13/85/1121961385.db2.gz CHUPPGLQKBBXNL-LBPRGKRZSA-N 1 2 330.482 3.769 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nc2sc3ccccc3n12 ZINC000763330293 1121961392 /nfs/dbraw/zinc/96/13/92/1121961392.db2.gz CHUPPGLQKBBXNL-LBPRGKRZSA-N 1 2 330.482 3.769 20 0 EHADLO Cc1ccc(-n2cnn(C[N@@H+]3CC[C@H](C4CC4)C3)c2=S)c(C)c1 ZINC000763331284 1121962452 /nfs/dbraw/zinc/96/24/52/1121962452.db2.gz GAQXLOYFAJKFGO-INIZCTEOSA-N 1 2 328.485 3.710 20 0 EHADLO Cc1ccc(-n2cnn(C[N@H+]3CC[C@H](C4CC4)C3)c2=S)c(C)c1 ZINC000763331284 1121962458 /nfs/dbraw/zinc/96/24/58/1121962458.db2.gz GAQXLOYFAJKFGO-INIZCTEOSA-N 1 2 328.485 3.710 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(=S)n1Cc1ccco1 ZINC000763332740 1121962575 /nfs/dbraw/zinc/96/25/75/1121962575.db2.gz NSJISHUKLPQQHB-OAHLLOKOSA-N 1 2 346.500 3.868 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c(=S)n1Cc1ccco1 ZINC000763332740 1121962580 /nfs/dbraw/zinc/96/25/80/1121962580.db2.gz NSJISHUKLPQQHB-OAHLLOKOSA-N 1 2 346.500 3.868 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333480 1121966142 /nfs/dbraw/zinc/96/61/42/1121966142.db2.gz UDEAYBFJXDZCKQ-PBHICJAKSA-N 1 2 328.485 3.713 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333480 1121966150 /nfs/dbraw/zinc/96/61/50/1121966150.db2.gz UDEAYBFJXDZCKQ-PBHICJAKSA-N 1 2 328.485 3.713 20 0 EHADLO CC(C)n1ccnc1C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496187736 1121990258 /nfs/dbraw/zinc/99/02/58/1121990258.db2.gz HQSBURUPQOZIFW-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)n1ccnc1C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496187736 1121990262 /nfs/dbraw/zinc/99/02/62/1121990262.db2.gz HQSBURUPQOZIFW-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO Fc1ccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000916007947 1122020335 /nfs/dbraw/zinc/02/03/35/1122020335.db2.gz ALTGGZIYTLBRBT-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000916152608 1122082334 /nfs/dbraw/zinc/08/23/34/1122082334.db2.gz VMULTKDWOYUDMX-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000916152608 1122082340 /nfs/dbraw/zinc/08/23/40/1122082340.db2.gz VMULTKDWOYUDMX-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO CC(C)c1ncc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000154112707 1122245414 /nfs/dbraw/zinc/24/54/14/1122245414.db2.gz JXVMOGVGQOQFPO-CYBMUJFWSA-N 1 2 327.457 3.698 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)ncc1F ZINC000497056860 1122255505 /nfs/dbraw/zinc/25/55/05/1122255505.db2.gz MALAUOTYLSLYAC-LBPRGKRZSA-N 1 2 347.365 3.509 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)ncc1F ZINC000497056860 1122255511 /nfs/dbraw/zinc/25/55/11/1122255511.db2.gz MALAUOTYLSLYAC-LBPRGKRZSA-N 1 2 347.365 3.509 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000255197867 1129042109 /nfs/dbraw/zinc/04/21/09/1129042109.db2.gz IDXSDWSGBSAGAK-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000255197867 1129042112 /nfs/dbraw/zinc/04/21/12/1129042112.db2.gz IDXSDWSGBSAGAK-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CCCCn1c(SCc2cnoc2C)nnc1[C@H](CC)[NH+](C)C ZINC000126088682 1122385866 /nfs/dbraw/zinc/38/58/66/1122385866.db2.gz UJXKDCRXJGFQRI-AWEZNQCLSA-N 1 2 337.493 3.680 20 0 EHADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)N1CCc2ccccc21 ZINC000126392453 1122403760 /nfs/dbraw/zinc/40/37/60/1122403760.db2.gz XKVVCBDJPZDRLY-UHFFFAOYSA-N 1 2 345.446 3.505 20 0 EHADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)N1CCc2ccccc21 ZINC000126392453 1122403764 /nfs/dbraw/zinc/40/37/64/1122403764.db2.gz XKVVCBDJPZDRLY-UHFFFAOYSA-N 1 2 345.446 3.505 20 0 EHADLO CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128286538 1122551143 /nfs/dbraw/zinc/55/11/43/1122551143.db2.gz KUMQGZGLASAEBX-ZWKOTPCHSA-N 1 2 326.444 3.601 20 0 EHADLO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000497471391 1122559058 /nfs/dbraw/zinc/55/90/58/1122559058.db2.gz IBYSVTZRRHVFCK-OAQYLSRUSA-N 1 2 348.446 3.812 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000497471391 1122559060 /nfs/dbraw/zinc/55/90/60/1122559060.db2.gz IBYSVTZRRHVFCK-OAQYLSRUSA-N 1 2 348.446 3.812 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1)C(=O)OC(C)(C)C ZINC000497611777 1122608613 /nfs/dbraw/zinc/60/86/13/1122608613.db2.gz PYPJYYHIAKBYQD-DAYGRLMNSA-N 1 2 348.487 3.750 20 0 EHADLO FC(F)(F)c1ccccc1C[N@H+](CN1CCSC1=S)C1CC1 ZINC000917474901 1122612452 /nfs/dbraw/zinc/61/24/52/1122612452.db2.gz VPTUKIWGEGDPPZ-UHFFFAOYSA-N 1 2 346.443 3.961 20 0 EHADLO FC(F)(F)c1ccccc1C[N@@H+](CN1CCSC1=S)C1CC1 ZINC000917474901 1122612459 /nfs/dbraw/zinc/61/24/59/1122612459.db2.gz VPTUKIWGEGDPPZ-UHFFFAOYSA-N 1 2 346.443 3.961 20 0 EHADLO CC(C)(C)n1nnn(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1=S ZINC000917477731 1122613095 /nfs/dbraw/zinc/61/30/95/1122613095.db2.gz HIOJFFCGPWVPGT-MRXNPFEDSA-N 1 2 345.516 3.619 20 0 EHADLO CC(C)(C)n1nnn(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1=S ZINC000917477731 1122613099 /nfs/dbraw/zinc/61/30/99/1122613099.db2.gz HIOJFFCGPWVPGT-MRXNPFEDSA-N 1 2 345.516 3.619 20 0 EHADLO c1c[nH]c([C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc2)n1 ZINC000128544311 1122620696 /nfs/dbraw/zinc/62/06/96/1122620696.db2.gz WHJOZBMJWXUXCQ-IBGZPJMESA-N 1 2 333.439 3.997 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000128899382 1122689738 /nfs/dbraw/zinc/68/97/38/1122689738.db2.gz VKKNVJYGKVQGFB-INIZCTEOSA-N 1 2 326.444 3.594 20 0 EHADLO O=C(/C=C\C1CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000255326652 1129071665 /nfs/dbraw/zinc/07/16/65/1129071665.db2.gz BDCMZGBJELYTPG-KTKRTIGZSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000556076533 1122803791 /nfs/dbraw/zinc/80/37/91/1122803791.db2.gz MBUPDFOUEKESFU-SJCJKPOMSA-N 1 2 328.366 3.566 20 0 EHADLO Cc1ccccc1C(C)(C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000556234713 1122887350 /nfs/dbraw/zinc/88/73/50/1122887350.db2.gz XSKALENVVFFQMF-LJQANCHMSA-N 1 2 338.430 3.909 20 0 EHADLO Cc1ccccc1C(C)(C)C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000556234713 1122887354 /nfs/dbraw/zinc/88/73/54/1122887354.db2.gz XSKALENVVFFQMF-LJQANCHMSA-N 1 2 338.430 3.909 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)C[C@@H]2CCCCO2)c1=S ZINC000918732361 1122900620 /nfs/dbraw/zinc/90/06/20/1122900620.db2.gz OYNARHCXJDPPCI-INIZCTEOSA-N 1 2 331.485 3.681 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)C[C@@H]2CCCCO2)c1=S ZINC000918732361 1122900622 /nfs/dbraw/zinc/90/06/22/1122900622.db2.gz OYNARHCXJDPPCI-INIZCTEOSA-N 1 2 331.485 3.681 20 0 EHADLO CCc1ccc([C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000130626908 1122975516 /nfs/dbraw/zinc/97/55/16/1122975516.db2.gz ADQFSLFQKPSASV-MJGOQNOKSA-N 1 2 325.456 3.521 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000130984493 1123028198 /nfs/dbraw/zinc/02/81/98/1123028198.db2.gz WTSIENGBHHRUSN-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000130984493 1123028199 /nfs/dbraw/zinc/02/81/99/1123028199.db2.gz WTSIENGBHHRUSN-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO COc1c(F)ccc(F)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000131133672 1123049304 /nfs/dbraw/zinc/04/93/04/1123049304.db2.gz LWRDFNOZTWVUKS-UHFFFAOYSA-N 1 2 329.306 3.616 20 0 EHADLO Cc1cccc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000556752831 1123104810 /nfs/dbraw/zinc/10/48/10/1123104810.db2.gz PRPFJYHZCYMSQU-UHFFFAOYSA-N 1 2 349.434 3.842 20 0 EHADLO c1n[nH]c2c1CC[C@@H]([NH2+][C@@H](c1cc3ccccc3o1)c1cccnc1)C2 ZINC000498931074 1123118261 /nfs/dbraw/zinc/11/82/61/1123118261.db2.gz QITJRJJXKUDXNZ-DYESRHJHSA-N 1 2 344.418 3.787 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccs1 ZINC000078083452 1129100816 /nfs/dbraw/zinc/10/08/16/1129100816.db2.gz BPRVEIJQLNCQNE-CQSZACIVSA-N 1 2 341.436 3.766 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000919765424 1123145408 /nfs/dbraw/zinc/14/54/08/1123145408.db2.gz VKWQHHJPSCYRQV-AWEZNQCLSA-N 1 2 325.437 3.792 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1F ZINC000556858954 1123155442 /nfs/dbraw/zinc/15/54/42/1123155442.db2.gz OVTFRZHGAALTBG-WKILWMFISA-N 1 2 327.403 3.682 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000072801874 1123160378 /nfs/dbraw/zinc/16/03/78/1123160378.db2.gz UFBOGNHPSOMRHI-GFCCVEGCSA-N 1 2 344.377 3.687 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802069 1123160601 /nfs/dbraw/zinc/16/06/01/1123160601.db2.gz WPSSYQVIZLHAAH-ZDUSSCGKSA-N 1 2 347.381 3.755 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000556879198 1123168793 /nfs/dbraw/zinc/16/87/93/1123168793.db2.gz COIAXSLWQXGGSO-YRXWBPOGSA-N 1 2 333.472 3.515 20 0 EHADLO C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000556890939 1123176396 /nfs/dbraw/zinc/17/63/96/1123176396.db2.gz UKONAGYOZWEDPH-CQSZACIVSA-N 1 2 328.366 3.710 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000073051550 1123185028 /nfs/dbraw/zinc/18/50/28/1123185028.db2.gz JHSNVDGNPQGLKG-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000073711994 1123217056 /nfs/dbraw/zinc/21/70/56/1123217056.db2.gz DGBBTKIQJOWZPP-HXUWFJFHSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccccc2F)nc2ccccc12 ZINC000073893344 1123227788 /nfs/dbraw/zinc/22/77/88/1123227788.db2.gz WZIHPEWHEYTYFX-UHFFFAOYSA-N 1 2 325.387 3.588 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccccc2F)nc2ccccc12 ZINC000073893344 1123227792 /nfs/dbraw/zinc/22/77/92/1123227792.db2.gz WZIHPEWHEYTYFX-UHFFFAOYSA-N 1 2 325.387 3.588 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000556967024 1123244005 /nfs/dbraw/zinc/24/40/05/1123244005.db2.gz CJAOBJAFAUCGPF-IBGZPJMESA-N 1 2 326.440 3.656 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000556967024 1123244006 /nfs/dbraw/zinc/24/40/06/1123244006.db2.gz CJAOBJAFAUCGPF-IBGZPJMESA-N 1 2 326.440 3.656 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000557022198 1123268397 /nfs/dbraw/zinc/26/83/97/1123268397.db2.gz GHQYIZIOIJBVEP-AWEZNQCLSA-N 1 2 345.516 3.717 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000557022198 1123268399 /nfs/dbraw/zinc/26/83/99/1123268399.db2.gz GHQYIZIOIJBVEP-AWEZNQCLSA-N 1 2 345.516 3.717 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3ccc(C)nc32)c1C ZINC000172836592 1129111477 /nfs/dbraw/zinc/11/14/77/1129111477.db2.gz HHYSGKWVKIIHTO-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)Cc2ccccc21 ZINC000920084978 1123287558 /nfs/dbraw/zinc/28/75/58/1123287558.db2.gz IINHSFYCAVKLAX-HNNXBMFYSA-N 1 2 347.455 3.609 20 0 EHADLO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)Cc2ccccc21 ZINC000920084978 1123287559 /nfs/dbraw/zinc/28/75/59/1123287559.db2.gz IINHSFYCAVKLAX-HNNXBMFYSA-N 1 2 347.455 3.609 20 0 EHADLO C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000920245352 1123347669 /nfs/dbraw/zinc/34/76/69/1123347669.db2.gz QGVHHORDNKTFSV-HNNXBMFYSA-N 1 2 330.476 3.636 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920564951 1123385815 /nfs/dbraw/zinc/38/58/15/1123385815.db2.gz VCNNVOOCWNWHSS-SOLBZPMBSA-N 1 2 342.487 3.636 20 0 EHADLO Cc1cc(NC(=O)CCSc2ccc3c(c2)OCCCO3)cc[nH+]1 ZINC000133418981 1123392970 /nfs/dbraw/zinc/39/29/70/1123392970.db2.gz ZGWHZTJEDXOUIG-UHFFFAOYSA-N 1 2 344.436 3.672 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000920768506 1123422286 /nfs/dbraw/zinc/42/22/86/1123422286.db2.gz RXFWESRKGKZGIA-FSNWXROXSA-N 1 2 331.847 3.781 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccc(Cl)cc1 ZINC000920767888 1123422445 /nfs/dbraw/zinc/42/24/45/1123422445.db2.gz NBFUJCUQQIZLTJ-MRXNPFEDSA-N 1 2 349.862 3.537 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996434 1123450510 /nfs/dbraw/zinc/45/05/10/1123450510.db2.gz KTUJGJYWBCLFGO-SNVBAGLBSA-N 1 2 334.769 3.941 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543026942 1129123198 /nfs/dbraw/zinc/12/31/98/1129123198.db2.gz PSQULHZXRYROMO-GDBMZVCRSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543026942 1129123200 /nfs/dbraw/zinc/12/32/00/1129123200.db2.gz PSQULHZXRYROMO-GDBMZVCRSA-N 1 2 342.405 3.792 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1nc(Cl)ccc1Cl ZINC000921149707 1123472569 /nfs/dbraw/zinc/47/25/69/1123472569.db2.gz UPRPKYZKQFMLOV-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921200671 1123478605 /nfs/dbraw/zinc/47/86/05/1123478605.db2.gz ILCUQPQQWQPRQY-KRWDZBQOSA-N 1 2 348.450 3.611 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246987 1123508440 /nfs/dbraw/zinc/50/84/40/1123508440.db2.gz HWNKGNAVERMAID-RDTXWAMCSA-N 1 2 335.407 3.561 20 0 EHADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000134246987 1123508444 /nfs/dbraw/zinc/50/84/44/1123508444.db2.gz HWNKGNAVERMAID-RDTXWAMCSA-N 1 2 335.407 3.561 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000921305319 1123515640 /nfs/dbraw/zinc/51/56/40/1123515640.db2.gz JYZKIEOARDVFPS-SQFISAMPSA-N 1 2 344.455 3.635 20 0 EHADLO CCO[C@H](C)c1nc(C[NH+]2CCC(OCC(C)C)CC2)cs1 ZINC000076721371 1123516365 /nfs/dbraw/zinc/51/63/65/1123516365.db2.gz BWSPUAGZZJRIMU-CQSZACIVSA-N 1 2 326.506 3.878 20 0 EHADLO COc1cccc(CNc2[nH+]c3cc(Cl)ccc3n2C)c1OC ZINC000134429383 1123522687 /nfs/dbraw/zinc/52/26/87/1123522687.db2.gz CLGFOKABCSOVDE-UHFFFAOYSA-N 1 2 331.803 3.856 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077762628 1123579186 /nfs/dbraw/zinc/57/91/86/1123579186.db2.gz BYNMIKGXVFBRJJ-INIZCTEOSA-N 1 2 346.434 3.592 20 0 EHADLO O=C(C=Cc1nc2ccccc2s1)NNc1cc[nH+]cc1Cl ZINC000135868659 1123650766 /nfs/dbraw/zinc/65/07/66/1123650766.db2.gz KPWPDIWIBXJSFF-AATRIKPKSA-N 1 2 330.800 3.501 20 0 EHADLO CCC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C[C@H]1CCCCO1 ZINC000079432474 1123693864 /nfs/dbraw/zinc/69/38/64/1123693864.db2.gz DOOMJCCBTOSREQ-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO CCC[N@H+](Cc1nc(Cc2ccccc2C)no1)C[C@H]1CCCCO1 ZINC000079432474 1123693867 /nfs/dbraw/zinc/69/38/67/1123693867.db2.gz DOOMJCCBTOSREQ-GOSISDBHSA-N 1 2 343.471 3.750 20 0 EHADLO CCCCN(CCCC)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454557 1123696204 /nfs/dbraw/zinc/69/62/04/1123696204.db2.gz RDUFYFOFWHYUTA-UHFFFAOYSA-N 1 2 332.492 3.662 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000922134710 1129140153 /nfs/dbraw/zinc/14/01/53/1129140153.db2.gz RJINFIKMZSQMLO-RNCFNFMXSA-N 1 2 339.258 3.826 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025737 1123745014 /nfs/dbraw/zinc/74/50/14/1123745014.db2.gz CIZFIEXMHVOLIS-GOSISDBHSA-N 1 2 344.503 3.792 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cc(F)ccc1F ZINC000615333521 1123782670 /nfs/dbraw/zinc/78/26/70/1123782670.db2.gz DZVRTMAHEABSBN-UWVGGRQHSA-N 1 2 340.320 3.921 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]Cc3ccc(C4CC4)cc3F)cs2)n1 ZINC000922139420 1129145333 /nfs/dbraw/zinc/14/53/33/1129145333.db2.gz ICJIRLWMDJNPOF-UHFFFAOYSA-N 1 2 342.443 3.850 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(Cl)c2ncccc12 ZINC000615491251 1123809707 /nfs/dbraw/zinc/80/97/07/1123809707.db2.gz FHHGZFZPPMPIJA-UHFFFAOYSA-N 1 2 343.818 3.687 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573123 1123880175 /nfs/dbraw/zinc/88/01/75/1123880175.db2.gz CTKCAJZTKUVNIE-ZTFRIQLXSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573123 1123880183 /nfs/dbraw/zinc/88/01/83/1123880183.db2.gz CTKCAJZTKUVNIE-ZTFRIQLXSA-N 1 2 338.854 3.777 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000081799965 1123904836 /nfs/dbraw/zinc/90/48/36/1123904836.db2.gz OYXJPAGLMNMQKH-IAGOWNOFSA-N 1 2 327.472 3.953 20 0 EHADLO Cc1cc(N)nc(SCCCOc2cccc3ccccc32)[nH+]1 ZINC000615943043 1123912610 /nfs/dbraw/zinc/91/26/10/1123912610.db2.gz SKFCOSMDCUIZOO-UHFFFAOYSA-N 1 2 325.437 3.912 20 0 EHADLO C[C@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H](C)C1 ZINC000543045389 1129155021 /nfs/dbraw/zinc/15/50/21/1129155021.db2.gz LPYFFVZQDCXWCA-DZFIZOCASA-N 1 2 346.519 3.910 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000245823898 1123956658 /nfs/dbraw/zinc/95/66/58/1123956658.db2.gz APOBBCCJVSOEDH-VNQPRFMTSA-N 1 2 329.444 3.515 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246070441 1124012904 /nfs/dbraw/zinc/01/29/04/1124012904.db2.gz HUMSFGMATCSRTB-LSDHHAIUSA-N 1 2 342.439 3.691 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246070441 1124012908 /nfs/dbraw/zinc/01/29/08/1124012908.db2.gz HUMSFGMATCSRTB-LSDHHAIUSA-N 1 2 342.439 3.691 20 0 EHADLO CC(C)CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C)c1ccccc1Cl ZINC000616822553 1124040737 /nfs/dbraw/zinc/04/07/37/1124040737.db2.gz YYRHFFODIXWTEL-AWEZNQCLSA-N 1 2 333.863 3.862 20 0 EHADLO O=C(Nc1ccc(O)cc1Cl)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616941861 1124058931 /nfs/dbraw/zinc/05/89/31/1124058931.db2.gz HPOXHJYORBTGAI-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1ccc(O)cc1Cl)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616941861 1124058935 /nfs/dbraw/zinc/05/89/35/1124058935.db2.gz HPOXHJYORBTGAI-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246276427 1124073576 /nfs/dbraw/zinc/07/35/76/1124073576.db2.gz SLERHQUTQWDFMC-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246276427 1124073580 /nfs/dbraw/zinc/07/35/80/1124073580.db2.gz SLERHQUTQWDFMC-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000543052933 1129165916 /nfs/dbraw/zinc/16/59/16/1129165916.db2.gz RCQCEPITFCAJQQ-NSHDSACASA-N 1 2 342.830 3.797 20 0 EHADLO CO[C@H]1C[C@H]([NH2+]c2ccc(N3CCSCC3)cc2C)C12CCC2 ZINC000453183776 1129173475 /nfs/dbraw/zinc/17/34/75/1129173475.db2.gz GZHFITWAARJOEK-ROUUACIJSA-N 1 2 332.513 3.918 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000617250314 1124457467 /nfs/dbraw/zinc/45/74/67/1124457467.db2.gz LZBZNBJGZLMCPD-GFCCVEGCSA-N 1 2 332.835 3.558 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246485288 1124483693 /nfs/dbraw/zinc/48/36/93/1124483693.db2.gz AHQMOJYCXARLAG-ZIAGYGMSSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246485288 1124483696 /nfs/dbraw/zinc/48/36/96/1124483696.db2.gz AHQMOJYCXARLAG-ZIAGYGMSSA-N 1 2 331.847 3.715 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247083669 1124587118 /nfs/dbraw/zinc/58/71/18/1124587118.db2.gz PITLCUAQKBTJDN-NWDGAFQWSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247083669 1124587126 /nfs/dbraw/zinc/58/71/26/1124587126.db2.gz PITLCUAQKBTJDN-NWDGAFQWSA-N 1 2 349.456 3.523 20 0 EHADLO CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043603 1124636858 /nfs/dbraw/zinc/63/68/58/1124636858.db2.gz UKBRVKOQKHEFGH-GBESFXJTSA-N 1 2 349.588 3.841 20 0 EHADLO C[C@@H](CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1)n1cc[nH+]c1 ZINC000617611319 1124691843 /nfs/dbraw/zinc/69/18/43/1124691843.db2.gz UQUFAUAQVOXCKM-NSHDSACASA-N 1 2 338.238 3.726 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000248890802 1124712990 /nfs/dbraw/zinc/71/29/90/1124712990.db2.gz SPQQHHIOCSIZPY-HYVNUMGLSA-N 1 2 343.471 3.903 20 0 EHADLO C[C@H]1CC(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)C1 ZINC000617664733 1124714565 /nfs/dbraw/zinc/71/45/65/1124714565.db2.gz OUYFMQBXXNGSBJ-HZPDHXFCSA-N 1 2 325.456 3.734 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000142238278 1124718409 /nfs/dbraw/zinc/71/84/09/1124718409.db2.gz VEJRIXKJNFKEAY-CQSZACIVSA-N 1 2 339.464 3.748 20 0 EHADLO Cc1cccc(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000069392893 1124743054 /nfs/dbraw/zinc/74/30/54/1124743054.db2.gz ZUKMUQJATXZYAY-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000069390990 1124743493 /nfs/dbraw/zinc/74/34/93/1124743493.db2.gz WUPBUXVXUIWACW-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1cc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)nc(C2CC2)[nH+]1 ZINC000734835203 1131284429 /nfs/dbraw/zinc/28/44/29/1131284429.db2.gz ROUFGVHZWZKVJE-CQSZACIVSA-N 1 2 337.345 3.827 20 0 EHADLO O=c1sc2c(n1C[N@@H+](CCc1ccc(F)cc1)C1CC1)CCCC2 ZINC000735073400 1131307284 /nfs/dbraw/zinc/30/72/84/1131307284.db2.gz LDAQPEPYVMLWHS-UHFFFAOYSA-N 1 2 346.471 3.592 20 0 EHADLO O=c1sc2c(n1C[N@H+](CCc1ccc(F)cc1)C1CC1)CCCC2 ZINC000735073400 1131307290 /nfs/dbraw/zinc/30/72/90/1131307290.db2.gz LDAQPEPYVMLWHS-UHFFFAOYSA-N 1 2 346.471 3.592 20 0 EHADLO C[C@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000618057569 1124944298 /nfs/dbraw/zinc/94/42/98/1124944298.db2.gz YPNWBVCBCDAVRH-CWFSZBLJSA-N 1 2 345.446 3.776 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@H]1C ZINC000251869397 1124951532 /nfs/dbraw/zinc/95/15/32/1124951532.db2.gz OXHKFTXJVRKWOD-XNRPHZJLSA-N 1 2 338.879 3.641 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@H]1C ZINC000251869397 1124951536 /nfs/dbraw/zinc/95/15/36/1124951536.db2.gz OXHKFTXJVRKWOD-XNRPHZJLSA-N 1 2 338.879 3.641 20 0 EHADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC(C)(C)CC(C)(C)C1 ZINC000618071645 1124956720 /nfs/dbraw/zinc/95/67/20/1124956720.db2.gz FPGBQJPFKWYPIO-UHFFFAOYSA-N 1 2 331.504 3.825 20 0 EHADLO CC(C)CCn1nc(C[NH2+]Cc2ccncc2F)c2ccccc21 ZINC000449487985 1125009404 /nfs/dbraw/zinc/00/94/04/1125009404.db2.gz BKYYZFNVRQDRES-UHFFFAOYSA-N 1 2 326.419 3.906 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@H](C)C1 ZINC001236850620 1125058344 /nfs/dbraw/zinc/05/83/44/1125058344.db2.gz GZUOJZIANNWPRW-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@H](C)C1 ZINC001236850620 1125058349 /nfs/dbraw/zinc/05/83/49/1125058349.db2.gz GZUOJZIANNWPRW-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)cc(Cl)n1 ZINC000181969549 1125097510 /nfs/dbraw/zinc/09/75/10/1125097510.db2.gz NYUNTTXIKOVECH-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC3(CC2)OCCc2ccsc23)s1 ZINC000450699811 1125191190 /nfs/dbraw/zinc/19/11/90/1125191190.db2.gz RXIPZBHNMUPAQS-UHFFFAOYSA-N 1 2 349.525 3.787 20 0 EHADLO Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000649574377 1125198322 /nfs/dbraw/zinc/19/83/22/1125198322.db2.gz IYPCCMIRTHXEQD-HNNXBMFYSA-N 1 2 327.325 3.752 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000093278859 1125213713 /nfs/dbraw/zinc/21/37/13/1125213713.db2.gz OMWOEVVOBGMVEP-CYBMUJFWSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000093278859 1125213721 /nfs/dbraw/zinc/21/37/21/1125213721.db2.gz OMWOEVVOBGMVEP-CYBMUJFWSA-N 1 2 327.255 3.580 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000093392476 1125240745 /nfs/dbraw/zinc/24/07/45/1125240745.db2.gz FPIBQOUCQRDBFG-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000093392476 1125240748 /nfs/dbraw/zinc/24/07/48/1125240748.db2.gz FPIBQOUCQRDBFG-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO CC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@H](C)CS(=O)(=O)CC ZINC000093414099 1125244358 /nfs/dbraw/zinc/24/43/58/1125244358.db2.gz PHDFLSRJEGABGL-CYBMUJFWSA-N 1 2 331.547 3.691 20 0 EHADLO CC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H](C)CS(=O)(=O)CC ZINC000093414099 1125244362 /nfs/dbraw/zinc/24/43/62/1125244362.db2.gz PHDFLSRJEGABGL-CYBMUJFWSA-N 1 2 331.547 3.691 20 0 EHADLO C/C(=C/C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000076022783 1125276708 /nfs/dbraw/zinc/27/67/08/1125276708.db2.gz STSYFGMCITUVFI-VWILAXROSA-N 1 2 329.419 3.657 20 0 EHADLO Cc1c([C@H](C)Nc2ccc([NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000182490673 1125318106 /nfs/dbraw/zinc/31/81/06/1125318106.db2.gz HDVSKLSKBAVFOP-ZDUSSCGKSA-N 1 2 339.418 3.954 20 0 EHADLO O=C(NC1CCC2(CC2(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000619235433 1125323136 /nfs/dbraw/zinc/32/31/36/1125323136.db2.gz YOISGVHBFHORAM-UHFFFAOYSA-N 1 2 331.366 3.570 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763538261 1125327419 /nfs/dbraw/zinc/32/74/19/1125327419.db2.gz KYIJOJRLHFLZLD-VSXLWIIGSA-N 1 2 337.291 3.931 20 0 EHADLO C[N@H+](C/C(Cl)=C/Cl)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000763567035 1125337333 /nfs/dbraw/zinc/33/73/33/1125337333.db2.gz QURJQHQCWXYBLJ-XFFZJAGNSA-N 1 2 325.280 3.788 20 0 EHADLO C[N@@H+](C/C(Cl)=C/Cl)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000763567035 1125337334 /nfs/dbraw/zinc/33/73/34/1125337334.db2.gz QURJQHQCWXYBLJ-XFFZJAGNSA-N 1 2 325.280 3.788 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000152768845 1125379364 /nfs/dbraw/zinc/37/93/64/1125379364.db2.gz CJFCITWMNNWEDC-AZUAARDMSA-N 1 2 337.467 3.898 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000572563458 1125401911 /nfs/dbraw/zinc/40/19/11/1125401911.db2.gz BHMFCIFWNALAGC-UHFFFAOYSA-N 1 2 348.434 3.991 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000572563458 1125401913 /nfs/dbraw/zinc/40/19/13/1125401913.db2.gz BHMFCIFWNALAGC-UHFFFAOYSA-N 1 2 348.434 3.991 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000152996864 1125414523 /nfs/dbraw/zinc/41/45/23/1125414523.db2.gz DKAFFTOCLJKVDP-FQEVSTJZSA-N 1 2 338.451 3.786 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccccc1 ZINC000153197329 1125451695 /nfs/dbraw/zinc/45/16/95/1125451695.db2.gz BUWTXMKCOFIJHS-UHFFFAOYSA-N 1 2 344.455 3.928 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccccc1 ZINC000153197329 1125451700 /nfs/dbraw/zinc/45/17/00/1125451700.db2.gz BUWTXMKCOFIJHS-UHFFFAOYSA-N 1 2 344.455 3.928 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000785461799 1129203477 /nfs/dbraw/zinc/20/34/77/1129203477.db2.gz OSOPBYFGDPQTHG-BQFCYCMXSA-N 1 2 348.487 3.670 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000785461799 1129203479 /nfs/dbraw/zinc/20/34/79/1129203479.db2.gz OSOPBYFGDPQTHG-BQFCYCMXSA-N 1 2 348.487 3.670 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168705232 1129213222 /nfs/dbraw/zinc/21/32/22/1129213222.db2.gz SUYZUAZSVZGYNE-OXJNMPFZSA-N 1 2 343.854 3.571 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)NC(C1CCCC1)C1CCCC1 ZINC000735580643 1131358840 /nfs/dbraw/zinc/35/88/40/1131358840.db2.gz VAEVRMPSZXOWED-UHFFFAOYSA-N 1 2 330.476 3.542 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)NCCCNc1cccc[nH+]1 ZINC000115161018 1129240006 /nfs/dbraw/zinc/24/00/06/1129240006.db2.gz PJXYSIIYNVRZQV-UHFFFAOYSA-N 1 2 333.435 3.786 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(s2)CCCC3)c1C ZINC000499660469 1129273081 /nfs/dbraw/zinc/27/30/81/1129273081.db2.gz YOQWFZPENBLEGL-UHFFFAOYSA-N 1 2 344.480 3.920 20 0 EHADLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000068252360 1129356128 /nfs/dbraw/zinc/35/61/28/1129356128.db2.gz QUQLUZJPLJEMKD-UHFFFAOYSA-N 1 2 342.870 3.750 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000922219436 1129372456 /nfs/dbraw/zinc/37/24/56/1129372456.db2.gz VRYGUULMCXDAFI-QGZVFWFLSA-N 1 2 340.858 3.851 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+]3CCS[C@H](C)[C@H]3C)c2=S)cc1 ZINC000735666177 1131371516 /nfs/dbraw/zinc/37/15/16/1131371516.db2.gz CTYNJIUCEZLQHT-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+]3CCS[C@H](C)[C@H]3C)c2=S)cc1 ZINC000735666177 1131371520 /nfs/dbraw/zinc/37/15/20/1131371520.db2.gz CTYNJIUCEZLQHT-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO Cc1ccsc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318431 1129413597 /nfs/dbraw/zinc/41/35/97/1129413597.db2.gz WWDZDFZRSAFRRX-OAHLLOKOSA-N 1 2 325.437 3.504 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000922264702 1129417862 /nfs/dbraw/zinc/41/78/62/1129417862.db2.gz WGHMSKSXVQMRJV-UHFFFAOYSA-N 1 2 333.741 3.656 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000117261055 1129427850 /nfs/dbraw/zinc/42/78/50/1129427850.db2.gz AXTOVQZWUKXWIX-MSOLQXFVSA-N 1 2 331.504 3.893 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000069281547 1129437777 /nfs/dbraw/zinc/43/77/77/1129437777.db2.gz GIPNNGMMUKQAAJ-SJLPKXTDSA-N 1 2 344.503 3.709 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc[nH+]c1N ZINC000922450662 1129536476 /nfs/dbraw/zinc/53/64/76/1129536476.db2.gz SBWUTWLTSXMPBW-MRXNPFEDSA-N 1 2 328.412 3.688 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c(C)c1OC ZINC000922521222 1129560994 /nfs/dbraw/zinc/56/09/94/1129560994.db2.gz IOGCNDJZEPFHEQ-QAPCUYQASA-N 1 2 331.387 3.574 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521678 1129561575 /nfs/dbraw/zinc/56/15/75/1129561575.db2.gz MEZASUMNDIYAOU-DCPHZVHLSA-N 1 2 345.414 3.662 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000347722931 1129564303 /nfs/dbraw/zinc/56/43/03/1129564303.db2.gz PETNURGCBAWXFJ-UHFFFAOYSA-N 1 2 325.364 3.518 20 0 EHADLO C[C@H](O)c1ncc(CNc2[nH+]c3ccccc3n2CC2CC2)s1 ZINC000922560607 1129570262 /nfs/dbraw/zinc/57/02/62/1129570262.db2.gz RGJYOALXULZNPQ-NSHDSACASA-N 1 2 328.441 3.568 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922577074 1129578848 /nfs/dbraw/zinc/57/88/48/1129578848.db2.gz KGESZERWUGTCOU-LJQANCHMSA-N 1 2 333.439 3.520 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922582668 1129581922 /nfs/dbraw/zinc/58/19/22/1129581922.db2.gz PHESPTJWHCOXTN-HNNXBMFYSA-N 1 2 336.208 3.619 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)sc1C ZINC001168731067 1129604803 /nfs/dbraw/zinc/60/48/03/1129604803.db2.gz QTDDNOQJWGWUHI-OAHLLOKOSA-N 1 2 334.872 3.805 20 0 EHADLO C/C(=C\C(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000173030538 1129607105 /nfs/dbraw/zinc/60/71/05/1129607105.db2.gz IYWSYTAUWCEBIL-JLHYYAGUSA-N 1 2 337.345 3.512 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ncc[nH]1)CC1(CCC1)O2 ZINC000922644371 1129610793 /nfs/dbraw/zinc/61/07/93/1129610793.db2.gz HOKVTMAUXXIJTI-CYBMUJFWSA-N 1 2 348.244 3.708 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC000673604902 1129615567 /nfs/dbraw/zinc/61/55/67/1129615567.db2.gz JKNSWGULZOYSFE-KRWDZBQOSA-N 1 2 325.456 3.791 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000624945296 1129618595 /nfs/dbraw/zinc/61/85/95/1129618595.db2.gz BWXYUMYAHIUZNX-UHFFFAOYSA-N 1 2 343.814 3.689 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000155274200 1129625069 /nfs/dbraw/zinc/62/50/69/1129625069.db2.gz OHNOBZMBMRVNAF-AWEZNQCLSA-N 1 2 326.444 3.568 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000155274200 1129625071 /nfs/dbraw/zinc/62/50/71/1129625071.db2.gz OHNOBZMBMRVNAF-AWEZNQCLSA-N 1 2 326.444 3.568 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1oc(C(C)C)nc1C)c1cccc(F)c1 ZINC000428945950 1129628152 /nfs/dbraw/zinc/62/81/52/1129628152.db2.gz HTNMBDJRDPTPSM-IBGZPJMESA-N 1 2 348.418 3.814 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(C)ncn1 ZINC000428963510 1129646708 /nfs/dbraw/zinc/64/67/08/1129646708.db2.gz CYADABFJKZBOME-OAHLLOKOSA-N 1 2 346.272 3.884 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(C)ncn1 ZINC000428963510 1129646711 /nfs/dbraw/zinc/64/67/11/1129646711.db2.gz CYADABFJKZBOME-OAHLLOKOSA-N 1 2 346.272 3.884 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)oc1C ZINC000282374020 1129667039 /nfs/dbraw/zinc/66/70/39/1129667039.db2.gz WTCPTOSNYUNUNM-SNVBAGLBSA-N 1 2 338.333 3.809 20 0 EHADLO Cc1ccnc(C[NH2+][C@H]2CCCc3cccnc32)c1Br ZINC000922884765 1129715312 /nfs/dbraw/zinc/71/53/12/1129715312.db2.gz FDUWHQBZJLGHFN-ZDUSSCGKSA-N 1 2 332.245 3.715 20 0 EHADLO Cc1cn2cc(NC(=O)N3Cc4ccccc4N(C)C[C@@H]3C)ccc2[nH+]1 ZINC000333181992 1129720639 /nfs/dbraw/zinc/72/06/39/1129720639.db2.gz SOPDJRLHQJWYBY-HNNXBMFYSA-N 1 2 349.438 3.515 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)c2c[nH]c3ccc(F)cc23)on1 ZINC000625084996 1129727631 /nfs/dbraw/zinc/72/76/31/1129727631.db2.gz INDQKIJGLQJRNO-MRXNPFEDSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)c2c[nH]c3ccc(F)cc23)on1 ZINC000625084996 1129727632 /nfs/dbraw/zinc/72/76/32/1129727632.db2.gz INDQKIJGLQJRNO-MRXNPFEDSA-N 1 2 327.359 3.623 20 0 EHADLO O=C(c1csc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625194173 1129758207 /nfs/dbraw/zinc/75/82/07/1129758207.db2.gz GWOOVKXKPZLLCI-SECBINFHSA-N 1 2 329.347 3.510 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625264825 1129794861 /nfs/dbraw/zinc/79/48/61/1129794861.db2.gz RQNYEVZUTABQAZ-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625264825 1129794863 /nfs/dbraw/zinc/79/48/63/1129794863.db2.gz RQNYEVZUTABQAZ-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014228698 1129803755 /nfs/dbraw/zinc/80/37/55/1129803755.db2.gz IYNWEQIRFNYMLC-GOSISDBHSA-N 1 2 328.431 3.782 20 0 EHADLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014228698 1129803762 /nfs/dbraw/zinc/80/37/62/1129803762.db2.gz IYNWEQIRFNYMLC-GOSISDBHSA-N 1 2 328.431 3.782 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 ZINC000347801224 1129819008 /nfs/dbraw/zinc/81/90/08/1129819008.db2.gz CPBCYKJGFKWMTQ-SFHVURJKSA-N 1 2 343.858 3.535 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 ZINC000347801224 1129819013 /nfs/dbraw/zinc/81/90/13/1129819013.db2.gz CPBCYKJGFKWMTQ-SFHVURJKSA-N 1 2 343.858 3.535 20 0 EHADLO O=C(c1cc(F)ccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282438582 1129823016 /nfs/dbraw/zinc/82/30/16/1129823016.db2.gz UWFYQBPJCZRPNT-ZDUSSCGKSA-N 1 2 345.393 3.517 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1nccs1 ZINC000625321075 1129825159 /nfs/dbraw/zinc/82/51/59/1129825159.db2.gz WEXGDJXQFBHINA-GFCCVEGCSA-N 1 2 327.812 3.615 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccn3C)cs2)cn1 ZINC000673755352 1129830188 /nfs/dbraw/zinc/83/01/88/1129830188.db2.gz IYTSEVBULOOLBC-KRWDZBQOSA-N 1 2 341.484 3.609 20 0 EHADLO Cn1cc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccn3C)cs2)cn1 ZINC000673755352 1129830192 /nfs/dbraw/zinc/83/01/92/1129830192.db2.gz IYTSEVBULOOLBC-KRWDZBQOSA-N 1 2 341.484 3.609 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000673771045 1129836924 /nfs/dbraw/zinc/83/69/24/1129836924.db2.gz DTBKXSPVURDMEV-JKSUJKDBSA-N 1 2 329.488 3.611 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCc4ccccc4[C@@H]3C)[nH+]c12 ZINC000673780916 1129842656 /nfs/dbraw/zinc/84/26/56/1129842656.db2.gz GQKGAHXQRQLNPK-INIZCTEOSA-N 1 2 348.450 3.514 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1Cl ZINC000625564365 1129928491 /nfs/dbraw/zinc/92/84/91/1129928491.db2.gz IFHHBLCAHVRCGE-UHFFFAOYSA-N 1 2 345.752 3.766 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000354129219 1129931142 /nfs/dbraw/zinc/93/11/42/1129931142.db2.gz CABJYBNUKLGPLU-UHFFFAOYSA-N 1 2 345.468 3.513 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000354129219 1129931145 /nfs/dbraw/zinc/93/11/45/1129931145.db2.gz CABJYBNUKLGPLU-UHFFFAOYSA-N 1 2 345.468 3.513 20 0 EHADLO Cc1ccnc(NC2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000429189213 1129945680 /nfs/dbraw/zinc/94/56/80/1129945680.db2.gz AZTUXYVXZHEUDM-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008510 1129956161 /nfs/dbraw/zinc/95/61/61/1129956161.db2.gz BXKARZGVFUSRFC-IFXJQAMLSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008510 1129956164 /nfs/dbraw/zinc/95/61/64/1129956164.db2.gz BXKARZGVFUSRFC-IFXJQAMLSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000674012719 1129958592 /nfs/dbraw/zinc/95/85/92/1129958592.db2.gz XZGUJTMGAOKNNE-NJSLBKSFSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000674012719 1129958595 /nfs/dbraw/zinc/95/85/95/1129958595.db2.gz XZGUJTMGAOKNNE-NJSLBKSFSA-N 1 2 344.405 3.978 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625644116 1129966028 /nfs/dbraw/zinc/96/60/28/1129966028.db2.gz AFJPLWFIIKFVEK-UPJWGTAASA-N 1 2 342.455 3.959 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H](C)C1(F)F ZINC000625649013 1129967951 /nfs/dbraw/zinc/96/79/51/1129967951.db2.gz JRFIGVGZAXCPQU-TYNCELHUSA-N 1 2 342.817 3.668 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H](C)C1(F)F ZINC000625649013 1129967954 /nfs/dbraw/zinc/96/79/54/1129967954.db2.gz JRFIGVGZAXCPQU-TYNCELHUSA-N 1 2 342.817 3.668 20 0 EHADLO c1cc(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)no1 ZINC000625659289 1129971983 /nfs/dbraw/zinc/97/19/83/1129971983.db2.gz NUGVYIIBTMPXGA-UHFFFAOYSA-N 1 2 330.432 3.560 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000171325552 1130046220 /nfs/dbraw/zinc/04/62/20/1130046220.db2.gz VWPGLWMUTFZPCY-UHFFFAOYSA-N 1 2 348.878 3.939 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(-c2ccccn2)s1 ZINC000171412998 1130055789 /nfs/dbraw/zinc/05/57/89/1130055789.db2.gz NISHCNKTNXRCGU-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CCCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000008471640 1130079777 /nfs/dbraw/zinc/07/97/77/1130079777.db2.gz JDLLVAJAKZPISW-UHFFFAOYSA-N 1 2 329.469 3.830 20 0 EHADLO CCCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000008471640 1130079785 /nfs/dbraw/zinc/07/97/85/1130079785.db2.gz JDLLVAJAKZPISW-UHFFFAOYSA-N 1 2 329.469 3.830 20 0 EHADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099605 1130105458 /nfs/dbraw/zinc/10/54/58/1130105458.db2.gz YSQAXCXIBDGCOZ-QZTJIDSGSA-N 1 2 340.471 3.694 20 0 EHADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099605 1130105460 /nfs/dbraw/zinc/10/54/60/1130105460.db2.gz YSQAXCXIBDGCOZ-QZTJIDSGSA-N 1 2 340.471 3.694 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000172618584 1130148109 /nfs/dbraw/zinc/14/81/09/1130148109.db2.gz GSYUVUXPTIIPEJ-LJQANCHMSA-N 1 2 346.858 3.506 20 0 EHADLO Cc1cc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)oc2c(C)c1 ZINC000674751772 1130187487 /nfs/dbraw/zinc/18/74/87/1130187487.db2.gz SPJLILBKDGUBAN-UHFFFAOYSA-N 1 2 346.390 3.942 20 0 EHADLO CC(C)([NH2+]Cc1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1 ZINC000674754086 1130187765 /nfs/dbraw/zinc/18/77/65/1130187765.db2.gz PCZWISTYJGJRIA-UHFFFAOYSA-N 1 2 335.407 3.849 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1ccc(-c2nccs2)n1 ZINC000766088732 1130238239 /nfs/dbraw/zinc/23/82/39/1130238239.db2.gz PLRHVEQLEQBPAR-UHFFFAOYSA-N 1 2 336.823 3.889 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1ccc(-c2nccs2)n1 ZINC000766088732 1130238242 /nfs/dbraw/zinc/23/82/42/1130238242.db2.gz PLRHVEQLEQBPAR-UHFFFAOYSA-N 1 2 336.823 3.889 20 0 EHADLO FC(F)(F)c1ccc(Cl)cc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212536663 1130322741 /nfs/dbraw/zinc/32/27/41/1130322741.db2.gz VCDBZSNYMJOPAG-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)o1 ZINC000625745873 1130417977 /nfs/dbraw/zinc/41/79/77/1130417977.db2.gz VMUAORUMVSUKFK-ZKYQVNSYSA-N 1 2 326.318 3.568 20 0 EHADLO CC(C)c1cccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000675562108 1130424492 /nfs/dbraw/zinc/42/44/92/1130424492.db2.gz FWKOHVCLHJGGOS-LJQANCHMSA-N 1 2 348.450 3.652 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675625760 1130433794 /nfs/dbraw/zinc/43/37/94/1130433794.db2.gz OPRWWLFDBWLMLF-MRXNPFEDSA-N 1 2 328.460 3.582 20 0 EHADLO CC(C)[C@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675714418 1130457652 /nfs/dbraw/zinc/45/76/52/1130457652.db2.gz MRHOHSQSEQMGQF-FQEVSTJZSA-N 1 2 348.450 3.799 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccco4)s3)sc2C1 ZINC000675750209 1130465021 /nfs/dbraw/zinc/46/50/21/1130465021.db2.gz VRIWUYXAFQFCOR-UHFFFAOYSA-N 1 2 345.449 3.705 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ccco4)s3)sc2C1 ZINC000675750209 1130465026 /nfs/dbraw/zinc/46/50/26/1130465026.db2.gz VRIWUYXAFQFCOR-UHFFFAOYSA-N 1 2 345.449 3.705 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675783652 1130479098 /nfs/dbraw/zinc/47/90/98/1130479098.db2.gz OOOAVUYYYZHABI-GOSISDBHSA-N 1 2 325.456 3.587 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000675896764 1130498033 /nfs/dbraw/zinc/49/80/33/1130498033.db2.gz YGFXNGZNDHIPMZ-TZMCWYRMSA-N 1 2 339.443 3.901 20 0 EHADLO Cc1ccc(-c2nnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)cc1 ZINC000675975377 1130513451 /nfs/dbraw/zinc/51/34/51/1130513451.db2.gz YSQPGFUHJCHRFZ-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676085698 1130530377 /nfs/dbraw/zinc/53/03/77/1130530377.db2.gz PCAHQVJJHDPEDB-CYBMUJFWSA-N 1 2 326.400 3.660 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676085698 1130530381 /nfs/dbraw/zinc/53/03/81/1130530381.db2.gz PCAHQVJJHDPEDB-CYBMUJFWSA-N 1 2 326.400 3.660 20 0 EHADLO Cc1cccc(-c2n[nH]cc2CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000676199116 1130545731 /nfs/dbraw/zinc/54/57/31/1130545731.db2.gz MYNOCKMUYQWQFM-UHFFFAOYSA-N 1 2 333.439 3.992 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)C1 ZINC000728050719 1130622107 /nfs/dbraw/zinc/62/21/07/1130622107.db2.gz XZUAQAZQUYTEBO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)C1 ZINC000728050719 1130622109 /nfs/dbraw/zinc/62/21/09/1130622109.db2.gz XZUAQAZQUYTEBO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCc1ccc(-c2ccccc2)cc1 ZINC000168491928 1130633566 /nfs/dbraw/zinc/63/35/66/1130633566.db2.gz XBDISPNLVMKFDB-UHFFFAOYSA-N 1 2 333.435 3.689 20 0 EHADLO CCc1cc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)nc(C)[nH+]1 ZINC000289102584 1130634863 /nfs/dbraw/zinc/63/48/63/1130634863.db2.gz PRUCWMJXGBYPFB-OAHLLOKOSA-N 1 2 327.432 3.730 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000730262133 1130692590 /nfs/dbraw/zinc/69/25/90/1130692590.db2.gz YHYWZMNVMDVPMJ-AWEZNQCLSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000730262133 1130692592 /nfs/dbraw/zinc/69/25/92/1130692592.db2.gz YHYWZMNVMDVPMJ-AWEZNQCLSA-N 1 2 349.883 3.733 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)c2ccccc2F)n1 ZINC000731340325 1130788320 /nfs/dbraw/zinc/78/83/20/1130788320.db2.gz PPLNWWDTUXJKQU-GFCCVEGCSA-N 1 2 335.448 3.866 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1 ZINC000732033060 1130879487 /nfs/dbraw/zinc/87/94/87/1130879487.db2.gz XCENSTDMBMDHBT-MRXNPFEDSA-N 1 2 344.405 3.511 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1 ZINC000732033060 1130879492 /nfs/dbraw/zinc/87/94/92/1130879492.db2.gz XCENSTDMBMDHBT-MRXNPFEDSA-N 1 2 344.405 3.511 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732062104 1130883401 /nfs/dbraw/zinc/88/34/01/1130883401.db2.gz RNOMDDTWXWUYCK-NVXWUHKLSA-N 1 2 345.512 3.842 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(C)[nH+]1 ZINC000732931648 1130972907 /nfs/dbraw/zinc/97/29/07/1130972907.db2.gz BGRMHHOIWLPNSN-UHFFFAOYSA-N 1 2 344.846 3.908 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176523272 1130982545 /nfs/dbraw/zinc/98/25/45/1130982545.db2.gz KHASKVOMXWYAST-YOEHRIQHSA-N 1 2 326.444 3.811 20 0 EHADLO CCC[N@@H+](Cc1ncc(C(C)C)o1)C[C@@H]1COc2ccccc2O1 ZINC000733307569 1131019839 /nfs/dbraw/zinc/01/98/39/1131019839.db2.gz NNWCFLOHEZSDHS-OAHLLOKOSA-N 1 2 330.428 3.850 20 0 EHADLO CCC[N@H+](Cc1ncc(C(C)C)o1)C[C@@H]1COc2ccccc2O1 ZINC000733307569 1131019842 /nfs/dbraw/zinc/01/98/42/1131019842.db2.gz NNWCFLOHEZSDHS-OAHLLOKOSA-N 1 2 330.428 3.850 20 0 EHADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(C(C)C)o3)CC2)s1 ZINC000733309485 1131020829 /nfs/dbraw/zinc/02/08/29/1131020829.db2.gz QPKVDVVQNIMKTI-UHFFFAOYSA-N 1 2 347.484 3.562 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000733291243 1131021495 /nfs/dbraw/zinc/02/14/95/1131021495.db2.gz GTJFLYOSDBJIMU-SJKOYZFVSA-N 1 2 332.494 3.583 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000733291243 1131021499 /nfs/dbraw/zinc/02/14/99/1131021499.db2.gz GTJFLYOSDBJIMU-SJKOYZFVSA-N 1 2 332.494 3.583 20 0 EHADLO C[N@H+](CCc1ccc(Cl)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000733297921 1131023385 /nfs/dbraw/zinc/02/33/85/1131023385.db2.gz DQKCGLGVLCTTSZ-UHFFFAOYSA-N 1 2 336.888 3.574 20 0 EHADLO C[N@@H+](CCc1ccc(Cl)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000733297921 1131023392 /nfs/dbraw/zinc/02/33/92/1131023392.db2.gz DQKCGLGVLCTTSZ-UHFFFAOYSA-N 1 2 336.888 3.574 20 0 EHADLO C[C@@H](CCC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000347943271 1131097087 /nfs/dbraw/zinc/09/70/87/1131097087.db2.gz OONMDZKIXZWUOH-IRXDYDNUSA-N 1 2 331.504 3.749 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)nn1 ZINC000282645945 1131131339 /nfs/dbraw/zinc/13/13/39/1131131339.db2.gz CAEUUJJYVFPJMA-MRVPVSSYSA-N 1 2 330.190 3.782 20 0 EHADLO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282673101 1131145336 /nfs/dbraw/zinc/14/53/36/1131145336.db2.gz JFOFJWYMXDTZHG-LBPRGKRZSA-N 1 2 338.402 3.794 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000626093555 1131153555 /nfs/dbraw/zinc/15/35/55/1131153555.db2.gz DLCPGEOCGMUBCN-AFYVEPGGSA-N 1 2 337.467 3.877 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c(C)o1 ZINC000626102163 1131155741 /nfs/dbraw/zinc/15/57/41/1131155741.db2.gz XGGJHHSZTYCPLB-CQSZACIVSA-N 1 2 329.227 3.812 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[nH]1 ZINC000736589456 1131426654 /nfs/dbraw/zinc/42/66/54/1131426654.db2.gz HUBAVTZLNCZNLP-CQSZACIVSA-N 1 2 348.491 3.899 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[nH]1 ZINC000736589456 1131426657 /nfs/dbraw/zinc/42/66/57/1131426657.db2.gz HUBAVTZLNCZNLP-CQSZACIVSA-N 1 2 348.491 3.899 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CCSC[C@H]3c3ccccc3)c2c1 ZINC000738070847 1131459348 /nfs/dbraw/zinc/45/93/48/1131459348.db2.gz YSOKESXGAPYYND-KRWDZBQOSA-N 1 2 340.448 3.651 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CCSC[C@H]3c3ccccc3)c2c1 ZINC000738070847 1131459351 /nfs/dbraw/zinc/45/93/51/1131459351.db2.gz YSOKESXGAPYYND-KRWDZBQOSA-N 1 2 340.448 3.651 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000738286226 1131465710 /nfs/dbraw/zinc/46/57/10/1131465710.db2.gz RHKFIGMZYFXZJH-CQSZACIVSA-N 1 2 340.448 3.519 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000738286226 1131465712 /nfs/dbraw/zinc/46/57/12/1131465712.db2.gz RHKFIGMZYFXZJH-CQSZACIVSA-N 1 2 340.448 3.519 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738245979 1131466420 /nfs/dbraw/zinc/46/64/20/1131466420.db2.gz PVQFPPJSDJLEEL-OALUTQOASA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738245979 1131466423 /nfs/dbraw/zinc/46/64/23/1131466423.db2.gz PVQFPPJSDJLEEL-OALUTQOASA-N 1 2 338.476 3.708 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309996 1131467442 /nfs/dbraw/zinc/46/74/42/1131467442.db2.gz SQTQLAPBPGNJPG-PBHICJAKSA-N 1 2 327.428 3.698 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309996 1131467444 /nfs/dbraw/zinc/46/74/44/1131467444.db2.gz SQTQLAPBPGNJPG-PBHICJAKSA-N 1 2 327.428 3.698 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000739887639 1131512712 /nfs/dbraw/zinc/51/27/12/1131512712.db2.gz ILOUHGXJNRUIHS-GOEBONIOSA-N 1 2 345.512 3.860 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000739887639 1131512715 /nfs/dbraw/zinc/51/27/15/1131512715.db2.gz ILOUHGXJNRUIHS-GOEBONIOSA-N 1 2 345.512 3.860 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2C[C@@H](C)C[C@@H]2C)nc1-c1ccncc1 ZINC000740861421 1131549188 /nfs/dbraw/zinc/54/91/88/1131549188.db2.gz WQHLLGMFOBYIBZ-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2C[C@@H](C)C[C@@H]2C)nc1-c1ccncc1 ZINC000740861421 1131549189 /nfs/dbraw/zinc/54/91/89/1131549189.db2.gz WQHLLGMFOBYIBZ-KBPBESRZSA-N 1 2 331.489 3.574 20 0 EHADLO CCc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000741026911 1131571496 /nfs/dbraw/zinc/57/14/96/1131571496.db2.gz SKZHXBAQMRUKMC-CVEARBPZSA-N 1 2 331.456 3.628 20 0 EHADLO CCOc1ccc(C(C)=O)cc1COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741029542 1131571574 /nfs/dbraw/zinc/57/15/74/1131571574.db2.gz PNUSRIDLWTXYOP-OAHLLOKOSA-N 1 2 347.455 3.596 20 0 EHADLO Cc1ccc2cccc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2n1 ZINC000741212288 1131587054 /nfs/dbraw/zinc/58/70/54/1131587054.db2.gz IIRAFIODURHNGZ-KRWDZBQOSA-N 1 2 336.439 3.584 20 0 EHADLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000741773953 1131645050 /nfs/dbraw/zinc/64/50/50/1131645050.db2.gz CKDGWDLOXDLGCW-ZDUSSCGKSA-N 1 2 332.469 3.817 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C[C@@H]21 ZINC000742167172 1131692528 /nfs/dbraw/zinc/69/25/28/1131692528.db2.gz VGVUWOMKVLVMCI-BETUJISGSA-N 1 2 334.876 3.806 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C[C@@H]21 ZINC000742167172 1131692530 /nfs/dbraw/zinc/69/25/30/1131692530.db2.gz VGVUWOMKVLVMCI-BETUJISGSA-N 1 2 334.876 3.806 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C(\C)C(C)(C)C)CC2)cc1 ZINC000742501362 1131739299 /nfs/dbraw/zinc/73/92/99/1131739299.db2.gz NNFQTYWMVNGEKY-BMRADRMJSA-N 1 2 344.499 3.722 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665264 1131757483 /nfs/dbraw/zinc/75/74/83/1131757483.db2.gz FPQMEEHKAZCAKC-UHFFFAOYSA-N 1 2 338.238 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1I)c1ccccn1 ZINC000742725490 1131778881 /nfs/dbraw/zinc/77/88/81/1131778881.db2.gz UHLCDQQWBAGUGL-NSHDSACASA-N 1 2 338.192 3.537 20 0 EHADLO O=C1CCCCc2c(Nc3ccc(C[NH+]4CC(O)C4)cc3)cccc21 ZINC001212671034 1131793552 /nfs/dbraw/zinc/79/35/52/1131793552.db2.gz CRCIJJKKIRFVRD-UHFFFAOYSA-N 1 2 336.435 3.516 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(Cl)cc4cccnc43)cc2)C1 ZINC001212670988 1131793598 /nfs/dbraw/zinc/79/35/98/1131793598.db2.gz AHJINWAVQMEZES-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCCC[C@H]1C[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642121 1131797214 /nfs/dbraw/zinc/79/72/14/1131797214.db2.gz MJJXQLGPWUTTEK-CAOSSQGBSA-N 1 2 346.462 3.937 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001172722093 1131822364 /nfs/dbraw/zinc/82/23/64/1131822364.db2.gz OHQPEIBGHUMUBL-OAHLLOKOSA-N 1 2 349.659 3.981 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001172722093 1131822365 /nfs/dbraw/zinc/82/23/65/1131822365.db2.gz OHQPEIBGHUMUBL-OAHLLOKOSA-N 1 2 349.659 3.981 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710630 1131833588 /nfs/dbraw/zinc/83/35/88/1131833588.db2.gz ZONVNKLOBPZWKV-RBUKOAKNSA-N 1 2 343.854 3.571 20 0 EHADLO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCn3cc(C(F)(F)F)nc3C1)CC2 ZINC001172830783 1131856403 /nfs/dbraw/zinc/85/64/03/1131856403.db2.gz KXDKMIKIRYLKLU-HNNXBMFYSA-N 1 2 335.373 3.583 20 0 EHADLO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCn3cc(C(F)(F)F)nc3C1)CC2 ZINC001172830783 1131856410 /nfs/dbraw/zinc/85/64/10/1131856410.db2.gz KXDKMIKIRYLKLU-HNNXBMFYSA-N 1 2 335.373 3.583 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172836012 1131857084 /nfs/dbraw/zinc/85/70/84/1131857084.db2.gz RZFAWYNNLQPZDT-NHCUHLMSSA-N 1 2 337.463 3.616 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC001172867780 1131863346 /nfs/dbraw/zinc/86/33/46/1131863346.db2.gz AEZCZYGVHHRENI-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCc3sccc3[C@H]2C)[C@@H]1c1ccccc1 ZINC000743350342 1131897861 /nfs/dbraw/zinc/89/78/61/1131897861.db2.gz YXQLXBAEGYZQRG-IYOUNJFTSA-N 1 2 326.465 3.844 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCc3sccc3[C@H]2C)[C@@H]1c1ccccc1 ZINC000743350342 1131897870 /nfs/dbraw/zinc/89/78/70/1131897870.db2.gz YXQLXBAEGYZQRG-IYOUNJFTSA-N 1 2 326.465 3.844 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccccc1 ZINC000743349885 1131906821 /nfs/dbraw/zinc/90/68/21/1131906821.db2.gz WVFASYMXXQDAKL-KDOFPFPSSA-N 1 2 326.465 3.890 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccccc1 ZINC000743349885 1131906826 /nfs/dbraw/zinc/90/68/26/1131906826.db2.gz WVFASYMXXQDAKL-KDOFPFPSSA-N 1 2 326.465 3.890 20 0 EHADLO COC(=O)c1cc(C)sc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693445 1131907123 /nfs/dbraw/zinc/90/71/23/1131907123.db2.gz XFWGESMZRHJLSU-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@H]1c1ccccc1 ZINC000743349888 1131907842 /nfs/dbraw/zinc/90/78/42/1131907842.db2.gz WVFASYMXXQDAKL-RDTXWAMCSA-N 1 2 326.465 3.890 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@H]1c1ccccc1 ZINC000743349888 1131907848 /nfs/dbraw/zinc/90/78/48/1131907848.db2.gz WVFASYMXXQDAKL-RDTXWAMCSA-N 1 2 326.465 3.890 20 0 EHADLO CC1(C)CC[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000743391318 1131908963 /nfs/dbraw/zinc/90/89/63/1131908963.db2.gz OFXXGALVJVWRBY-UHFFFAOYSA-N 1 2 328.485 3.786 20 0 EHADLO CC1(C)CC[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000743391318 1131908970 /nfs/dbraw/zinc/90/89/70/1131908970.db2.gz OFXXGALVJVWRBY-UHFFFAOYSA-N 1 2 328.485 3.786 20 0 EHADLO O=C(CCCO)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212699831 1131933968 /nfs/dbraw/zinc/93/39/68/1131933968.db2.gz GPTROTRCMYWWQH-UHFFFAOYSA-N 1 2 335.407 3.630 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000743564819 1131941836 /nfs/dbraw/zinc/94/18/36/1131941836.db2.gz JQUFSTUCNJHMIA-KZNAEPCWSA-N 1 2 338.455 3.640 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)n3)CC2)cc1 ZINC000743835668 1131981918 /nfs/dbraw/zinc/98/19/18/1131981918.db2.gz GGWGKCNIWZBDBV-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCn2ncnc2C1 ZINC001173216385 1132002439 /nfs/dbraw/zinc/00/24/39/1132002439.db2.gz XXIAXEBIRLVUMN-KRWDZBQOSA-N 1 2 332.451 3.704 20 0 EHADLO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCn2ncnc2C1 ZINC001173216385 1132002448 /nfs/dbraw/zinc/00/24/48/1132002448.db2.gz XXIAXEBIRLVUMN-KRWDZBQOSA-N 1 2 332.451 3.704 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000744447623 1132101924 /nfs/dbraw/zinc/10/19/24/1132101924.db2.gz URBIIQXGJPDLSY-UHFFFAOYSA-N 1 2 338.407 3.957 20 0 EHADLO COc1cc(C[NH+]2CC3(C2)CC(F)(F)CS3)ccc1SC ZINC001249378070 1132123307 /nfs/dbraw/zinc/12/33/07/1132123307.db2.gz LJTGXNKSCJHSRC-UHFFFAOYSA-N 1 2 331.453 3.744 20 0 EHADLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Br)sc1Cl ZINC001249381755 1132137980 /nfs/dbraw/zinc/13/79/80/1132137980.db2.gz NBNRQMZJYORMIE-SECBINFHSA-N 1 2 338.698 3.899 20 0 EHADLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Br)sc1Cl ZINC001249381755 1132137982 /nfs/dbraw/zinc/13/79/82/1132137982.db2.gz NBNRQMZJYORMIE-SECBINFHSA-N 1 2 338.698 3.899 20 0 EHADLO CCOc1ccccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001173849383 1132154109 /nfs/dbraw/zinc/15/41/09/1132154109.db2.gz MDVVIAOWZCAAKQ-ZIAGYGMSSA-N 1 2 342.443 3.541 20 0 EHADLO CC[N@H+](Cc1nc(Br)oc1C)Cc1cccc(OC)c1 ZINC001249390464 1132159575 /nfs/dbraw/zinc/15/95/75/1132159575.db2.gz ROMXOTXKEMHFQA-UHFFFAOYSA-N 1 2 339.233 3.776 20 0 EHADLO CC[N@@H+](Cc1nc(Br)oc1C)Cc1cccc(OC)c1 ZINC001249390464 1132159579 /nfs/dbraw/zinc/15/95/79/1132159579.db2.gz ROMXOTXKEMHFQA-UHFFFAOYSA-N 1 2 339.233 3.776 20 0 EHADLO CC(=O)c1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001173899865 1132167346 /nfs/dbraw/zinc/16/73/46/1132167346.db2.gz RLFJDZZOGNZOPK-OKILXGFUSA-N 1 2 325.412 3.641 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccsc2)oc1C ZINC000745088359 1132191253 /nfs/dbraw/zinc/19/12/53/1132191253.db2.gz NCXWYABGVFYNQI-HNNXBMFYSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccsc2)oc1C ZINC000745088359 1132191258 /nfs/dbraw/zinc/19/12/58/1132191258.db2.gz NCXWYABGVFYNQI-HNNXBMFYSA-N 1 2 334.441 3.629 20 0 EHADLO Nc1ccc2c(c1)c(Br)nn2-c1cc[nH+]c2ccccc21 ZINC001174040125 1132222320 /nfs/dbraw/zinc/22/23/20/1132222320.db2.gz SRCRXBGLONRNNG-UHFFFAOYSA-N 1 2 339.196 3.918 20 0 EHADLO CCCCNC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174122715 1132243178 /nfs/dbraw/zinc/24/31/78/1132243178.db2.gz RWSDPPWFNPILNE-UHFFFAOYSA-N 1 2 338.455 3.955 20 0 EHADLO CCN(C)C(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001174320862 1132317309 /nfs/dbraw/zinc/31/73/09/1132317309.db2.gz PPIBNGYCPGYURI-UHFFFAOYSA-N 1 2 328.803 3.823 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943730 1132338099 /nfs/dbraw/zinc/33/80/99/1132338099.db2.gz DLIJQOJFGOSHQR-LBPRGKRZSA-N 1 2 342.842 3.920 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943730 1132338107 /nfs/dbraw/zinc/33/81/07/1132338107.db2.gz DLIJQOJFGOSHQR-LBPRGKRZSA-N 1 2 342.842 3.920 20 0 EHADLO CCn1c(=S)n(C[N@H+](CCc2ccccc2)C2CC2)nc1C1CC1 ZINC000746022502 1132350241 /nfs/dbraw/zinc/35/02/41/1132350241.db2.gz CLSJCECZYIYRSF-UHFFFAOYSA-N 1 2 342.512 3.976 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CCc2ccccc2)C2CC2)nc1C1CC1 ZINC000746022502 1132350248 /nfs/dbraw/zinc/35/02/48/1132350248.db2.gz CLSJCECZYIYRSF-UHFFFAOYSA-N 1 2 342.512 3.976 20 0 EHADLO CC(C)c1ncsc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174431827 1132352797 /nfs/dbraw/zinc/35/27/97/1132352797.db2.gz DDVDHYQIVUXKNW-UHFFFAOYSA-N 1 2 347.484 3.721 20 0 EHADLO Clc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432079 1132353011 /nfs/dbraw/zinc/35/30/11/1132353011.db2.gz JUIJHNQCXWSUKV-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO Oc1cc(Cl)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174434858 1132354262 /nfs/dbraw/zinc/35/42/62/1132354262.db2.gz SYDOFAFLDXHFJQ-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO Nc1cn(-c2cc[nH+]c3[nH]ccc32)c2ccc(Br)cc12 ZINC001174410800 1132365762 /nfs/dbraw/zinc/36/57/62/1132365762.db2.gz SHGZEFLOODOTMC-UHFFFAOYSA-N 1 2 327.185 3.803 20 0 EHADLO Cn1nc(Br)c2ccc(Nc3cc[nH+]c4[nH]ccc43)cc21 ZINC001174413029 1132367150 /nfs/dbraw/zinc/36/71/50/1132367150.db2.gz GQPKSKQPUNEDNB-UHFFFAOYSA-N 1 2 342.200 3.907 20 0 EHADLO CCOC(=O)c1cnc2cc(Nc3cc[nH+]c4[nH]ccc43)ccc2c1 ZINC001174414339 1132367542 /nfs/dbraw/zinc/36/75/42/1132367542.db2.gz AGQKBKSZYUJSRO-UHFFFAOYSA-N 1 2 332.363 3.983 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1F ZINC001174525407 1132382925 /nfs/dbraw/zinc/38/29/25/1132382925.db2.gz XHVWSTCWNCBOBF-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO CCOC(=O)c1cc2cc(N)ccc2n1-c1ccc([NH+]2CCCC2)cc1 ZINC001174526540 1132383004 /nfs/dbraw/zinc/38/30/04/1132383004.db2.gz TYYZKNAZLFKYMN-UHFFFAOYSA-N 1 2 349.434 3.990 20 0 EHADLO CC(=O)N1CCc2c1cccc2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525227 1132401717 /nfs/dbraw/zinc/40/17/17/1132401717.db2.gz STKLLCITUKNEST-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO O=C1c2c(cccc2Nc2ccc(N3CCCCC3)[nH+]c2)CN1C1CC1 ZINC001174524759 1132401760 /nfs/dbraw/zinc/40/17/60/1132401760.db2.gz PHIQKFMMXSDTBM-UHFFFAOYSA-N 1 2 348.450 3.934 20 0 EHADLO COc1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000041645863 1132429513 /nfs/dbraw/zinc/42/95/13/1132429513.db2.gz JNDIWNLPDRXUEZ-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000746322287 1132439373 /nfs/dbraw/zinc/43/93/73/1132439373.db2.gz IIVJPKUREHVNKS-UHFFFAOYSA-N 1 2 344.452 3.764 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000746322287 1132439379 /nfs/dbraw/zinc/43/93/79/1132439379.db2.gz IIVJPKUREHVNKS-UHFFFAOYSA-N 1 2 344.452 3.764 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000188938328 1132439432 /nfs/dbraw/zinc/43/94/32/1132439432.db2.gz ZCRVAJJGZZQABZ-UHFFFAOYSA-N 1 2 346.843 3.682 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000188938328 1132439435 /nfs/dbraw/zinc/43/94/35/1132439435.db2.gz ZCRVAJJGZZQABZ-UHFFFAOYSA-N 1 2 346.843 3.682 20 0 EHADLO COc1ccc(N(Cc2cccs2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188974905 1132441249 /nfs/dbraw/zinc/44/12/49/1132441249.db2.gz BMLQVCTYWOZJQN-UHFFFAOYSA-N 1 2 341.436 3.646 20 0 EHADLO COc1ccc(N(Cc2cccs2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188974905 1132441255 /nfs/dbraw/zinc/44/12/55/1132441255.db2.gz BMLQVCTYWOZJQN-UHFFFAOYSA-N 1 2 341.436 3.646 20 0 EHADLO c1c[nH+]c(N2CCCCC2)c(Nc2ccc(N3CCOCC3)cc2)c1 ZINC001174702750 1132446058 /nfs/dbraw/zinc/44/60/58/1132446058.db2.gz ZGJHUQLNBJIRIC-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000193007001 1132477810 /nfs/dbraw/zinc/47/78/10/1132477810.db2.gz IMHYOBPJQPJZRB-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000193007001 1132477815 /nfs/dbraw/zinc/47/78/15/1132477815.db2.gz IMHYOBPJQPJZRB-UHFFFAOYSA-N 1 2 345.805 3.602 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000193124897 1132478900 /nfs/dbraw/zinc/47/89/00/1132478900.db2.gz STHLQOLFLYOUEG-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000193124897 1132478905 /nfs/dbraw/zinc/47/89/05/1132478905.db2.gz STHLQOLFLYOUEG-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO COC/C(C)=C/C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001174808555 1132479107 /nfs/dbraw/zinc/47/91/07/1132479107.db2.gz OCHFFIPPUGFCGD-VZUCSPMQSA-N 1 2 328.225 3.539 20 0 EHADLO COC/C(C)=C/C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001174808555 1132479113 /nfs/dbraw/zinc/47/91/13/1132479113.db2.gz OCHFFIPPUGFCGD-VZUCSPMQSA-N 1 2 328.225 3.539 20 0 EHADLO Cc1cc(Br)c(NC(=O)CCc2c[nH]c[nH+]2)cc1Cl ZINC000193821068 1132482193 /nfs/dbraw/zinc/48/21/93/1132482193.db2.gz SPSSKUAANPGJMN-UHFFFAOYSA-N 1 2 342.624 3.705 20 0 EHADLO Cc1cc(Br)c(NC(=O)CCc2c[nH+]c[nH]2)cc1Cl ZINC000193821068 1132482194 /nfs/dbraw/zinc/48/21/94/1132482194.db2.gz SPSSKUAANPGJMN-UHFFFAOYSA-N 1 2 342.624 3.705 20 0 EHADLO CC(C)c1ccnc(N2CC[NH+](Cc3sccc3Cl)CC2)n1 ZINC000194488916 1132488748 /nfs/dbraw/zinc/48/87/48/1132488748.db2.gz LGXRRPDRPWRAHG-UHFFFAOYSA-N 1 2 336.892 3.637 20 0 EHADLO COc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)c(OC)c1OC ZINC001174901958 1132499362 /nfs/dbraw/zinc/49/93/62/1132499362.db2.gz YMWQXRSQVFPWRC-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000775062668 1132508970 /nfs/dbraw/zinc/50/89/70/1132508970.db2.gz GJWATWUEPVQBFY-LLVKDONJSA-N 1 2 326.209 3.639 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000775062668 1132508973 /nfs/dbraw/zinc/50/89/73/1132508973.db2.gz GJWATWUEPVQBFY-LLVKDONJSA-N 1 2 326.209 3.639 20 0 EHADLO Fc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(C(F)(F)F)c1 ZINC001174977053 1132511699 /nfs/dbraw/zinc/51/16/99/1132511699.db2.gz LMFALVOXRBAJRF-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CCCCOc1ccccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001174999509 1132525558 /nfs/dbraw/zinc/52/55/58/1132525558.db2.gz AUZIBBRORFPMAV-INIZCTEOSA-N 1 2 327.428 3.575 20 0 EHADLO Clc1ccc2c(cccc2Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC001174980636 1132534380 /nfs/dbraw/zinc/53/43/80/1132534380.db2.gz YLEWNAWXIMVZDG-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000746449895 1132540326 /nfs/dbraw/zinc/54/03/26/1132540326.db2.gz KASYKDOHPKTZGF-FQEVSTJZSA-N 1 2 349.434 3.657 20 0 EHADLO Cc1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)ccc1OC(C)C ZINC001175191907 1132582716 /nfs/dbraw/zinc/58/27/16/1132582716.db2.gz GQCHFNUGWYKCRI-UHFFFAOYSA-N 1 2 341.455 3.882 20 0 EHADLO Cc1ccc([C@H](C)Nc2c(Br)ccc3[nH+]ccn32)nc1 ZINC001168859779 1132582876 /nfs/dbraw/zinc/58/28/76/1132582876.db2.gz GCUYIAWVGMMTQU-NSHDSACASA-N 1 2 331.217 3.973 20 0 EHADLO CCOC(=O)C[N@H+](CC[C@@H](O)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001168894167 1132589945 /nfs/dbraw/zinc/58/99/45/1132589945.db2.gz PFESULNNZMHOMY-FXAWDEMLSA-N 1 2 341.451 3.736 20 0 EHADLO CCOC(=O)C[N@@H+](CC[C@@H](O)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001168894167 1132589950 /nfs/dbraw/zinc/58/99/50/1132589950.db2.gz PFESULNNZMHOMY-FXAWDEMLSA-N 1 2 341.451 3.736 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)cs1 ZINC000766527175 1132591363 /nfs/dbraw/zinc/59/13/63/1132591363.db2.gz GEYBZNXVDGBDFE-KBPBESRZSA-N 1 2 342.468 3.887 20 0 EHADLO CC(C)Oc1ccc[nH+]c1N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001168900660 1132593066 /nfs/dbraw/zinc/59/30/66/1132593066.db2.gz XPNDQZCQVDGTEW-KRWDZBQOSA-N 1 2 339.439 3.586 20 0 EHADLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)ccc1F ZINC001175252137 1132594113 /nfs/dbraw/zinc/59/41/13/1132594113.db2.gz SQHROYVJFXOZMN-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO CC(=O)c1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001175227035 1132601852 /nfs/dbraw/zinc/60/18/52/1132601852.db2.gz JHDMSSCPBGRYPL-BETUJISGSA-N 1 2 343.402 3.781 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001168949949 1132613570 /nfs/dbraw/zinc/61/35/70/1132613570.db2.gz PTPXFOFSHMAGSQ-CQSZACIVSA-N 1 2 339.863 3.773 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001168949949 1132613579 /nfs/dbraw/zinc/61/35/79/1132613579.db2.gz PTPXFOFSHMAGSQ-CQSZACIVSA-N 1 2 339.863 3.773 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cnc1Br ZINC001175346172 1132629098 /nfs/dbraw/zinc/62/90/98/1132629098.db2.gz MJTICVLHUXTAAY-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COc1ccc(Cn2nccc2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175345711 1132629600 /nfs/dbraw/zinc/62/96/00/1132629600.db2.gz DKCCHZCZBCWKKQ-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO c1c(CCNc2ccc(O[C@@H]3CCCCO3)cc2)[nH+]c2ccccn12 ZINC001169003942 1132630097 /nfs/dbraw/zinc/63/00/97/1132630097.db2.gz KURNDBNFUDEWCV-HXUWFJFHSA-N 1 2 337.423 3.894 20 0 EHADLO COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)cn1 ZINC001175348330 1132630190 /nfs/dbraw/zinc/63/01/90/1132630190.db2.gz DOLMLZZUNXVTKV-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COC(=O)[C@H](C)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175348611 1132630386 /nfs/dbraw/zinc/63/03/86/1132630386.db2.gz HJKDYBLBTVISSI-CQSZACIVSA-N 1 2 325.412 3.702 20 0 EHADLO Cc1cc(Br)nc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349912 1132645626 /nfs/dbraw/zinc/64/56/26/1132645626.db2.gz QDJBROPRXUPEHZ-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO O=C1c2c(cccc2Nc2ccc(N3CCCC3)[nH+]c2)CN1C1CC1 ZINC001175353217 1132646861 /nfs/dbraw/zinc/64/68/61/1132646861.db2.gz XINMOJRAJQDGLG-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO COC(=O)c1c(C)ccc(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001175353164 1132647385 /nfs/dbraw/zinc/64/73/85/1132647385.db2.gz WFRNNJBKINSZKF-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO C[S@](=O)c1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001175471035 1132675914 /nfs/dbraw/zinc/67/59/14/1132675914.db2.gz MVNYHZLUVFUZPD-DEOSSOPVSA-N 1 2 347.440 3.910 20 0 EHADLO CCc1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001175555497 1132709567 /nfs/dbraw/zinc/70/95/67/1132709567.db2.gz WVWGORGDRFSLPH-UHFFFAOYSA-N 1 2 337.467 3.513 20 0 EHADLO CCSc1ccccc1C[N@H+](CC(=O)NC)Cc1ccccc1 ZINC001175561537 1132712215 /nfs/dbraw/zinc/71/22/15/1132712215.db2.gz WGSHPHMQAAWILV-UHFFFAOYSA-N 1 2 328.481 3.547 20 0 EHADLO CCSc1ccccc1C[N@@H+](CC(=O)NC)Cc1ccccc1 ZINC001175561537 1132712219 /nfs/dbraw/zinc/71/22/19/1132712219.db2.gz WGSHPHMQAAWILV-UHFFFAOYSA-N 1 2 328.481 3.547 20 0 EHADLO CC(=O)N=C1C=C[N@@H+](c2ccc3c(c2)C(C)(C)c2ccccc2-3)C=C1N ZINC001175702410 1132731838 /nfs/dbraw/zinc/73/18/38/1132731838.db2.gz OFVQOJKZAORWBP-UHFFFAOYSA-N 1 2 343.430 3.813 20 0 EHADLO CC(=O)N=C1C=C[N@H+](c2ccc3c(c2)C(C)(C)c2ccccc2-3)C=C1N ZINC001175702410 1132731844 /nfs/dbraw/zinc/73/18/44/1132731844.db2.gz OFVQOJKZAORWBP-UHFFFAOYSA-N 1 2 343.430 3.813 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3nc(C4CCC4)nn3c2)c[nH+]1 ZINC001175712644 1132739983 /nfs/dbraw/zinc/73/99/83/1132739983.db2.gz PRNGUTBRCADEOD-UHFFFAOYSA-N 1 2 348.332 3.736 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc(O)c2Br)c[nH+]1 ZINC001175714444 1132741960 /nfs/dbraw/zinc/74/19/60/1132741960.db2.gz WHGRAMBDGXJTOF-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000804319586 1132742623 /nfs/dbraw/zinc/74/26/23/1132742623.db2.gz ASNOIUHTFDJJJO-UHFFFAOYSA-N 1 2 331.419 3.751 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)NCCCN(C)c2cccc[nH+]2)CC(C)(C)C1 ZINC001175706419 1132753746 /nfs/dbraw/zinc/75/37/46/1132753746.db2.gz CXKHZFKKOPZJPL-IRXDYDNUSA-N 1 2 331.504 3.877 20 0 EHADLO Cc1cc2c(ncnc2Nc2c[nH+]c(N)cc2C(F)(F)F)s1 ZINC001175709036 1132754724 /nfs/dbraw/zinc/75/47/24/1132754724.db2.gz XVUMHMOKTYFJQW-UHFFFAOYSA-N 1 2 325.319 3.739 20 0 EHADLO Cc1cnc(Br)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707113 1132754917 /nfs/dbraw/zinc/75/49/17/1132754917.db2.gz VLLMHRZJYZDPII-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Cc1cnc(Br)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175709673 1132755642 /nfs/dbraw/zinc/75/56/42/1132755642.db2.gz JMUPTMZJKRYGKV-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COCCOc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001175784504 1132766879 /nfs/dbraw/zinc/76/68/79/1132766879.db2.gz VYUXMDFCOLRKIH-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507816 1132773931 /nfs/dbraw/zinc/77/39/31/1132773931.db2.gz SGZUIBNKEQBYNO-MSOLQXFVSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507816 1132773936 /nfs/dbraw/zinc/77/39/36/1132773936.db2.gz SGZUIBNKEQBYNO-MSOLQXFVSA-N 1 2 325.399 3.543 20 0 EHADLO c1c(Cc2ccccc2)noc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175858910 1132785671 /nfs/dbraw/zinc/78/56/71/1132785671.db2.gz NLFVIPRJLQCGCK-UHFFFAOYSA-N 1 2 349.434 3.841 20 0 EHADLO O=C1NCc2ccc(CNc3cc[nH+]c(OCc4ccccc4)c3)cc21 ZINC001169766547 1132851556 /nfs/dbraw/zinc/85/15/56/1132851556.db2.gz FZBSRBICPZQKLS-UHFFFAOYSA-N 1 2 345.402 3.516 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(I)c1C ZINC001176123434 1132853461 /nfs/dbraw/zinc/85/34/61/1132853461.db2.gz UASOHNAWLNKPLJ-UHFFFAOYSA-N 1 2 340.164 3.747 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1ccccc1OC(F)F)C2 ZINC001176192821 1132862445 /nfs/dbraw/zinc/86/24/45/1132862445.db2.gz FGSGINGPDRMKQT-UHFFFAOYSA-N 1 2 335.350 3.561 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC001176192821 1132862453 /nfs/dbraw/zinc/86/24/53/1132862453.db2.gz FGSGINGPDRMKQT-UHFFFAOYSA-N 1 2 335.350 3.561 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766844304 1132868700 /nfs/dbraw/zinc/86/87/00/1132868700.db2.gz WIINFNBCMSYFSC-LLVKDONJSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766844304 1132868709 /nfs/dbraw/zinc/86/87/09/1132868709.db2.gz WIINFNBCMSYFSC-LLVKDONJSA-N 1 2 345.270 3.800 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC001176203816 1132871340 /nfs/dbraw/zinc/87/13/40/1132871340.db2.gz WOCSEXIEJMTYDU-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000767067179 1132940476 /nfs/dbraw/zinc/94/04/76/1132940476.db2.gz LYSVMCKDKILQKB-MRXNPFEDSA-N 1 2 325.412 3.782 20 0 EHADLO Fc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)n1 ZINC001176749491 1132992005 /nfs/dbraw/zinc/99/20/05/1132992005.db2.gz GIKQYZQEVCWNNC-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO c1c[nH+]c(N2CCCC2)c(Nc2ccc3nnc(C4CCC4)n3c2)c1 ZINC001176748880 1132992321 /nfs/dbraw/zinc/99/23/21/1132992321.db2.gz GWEGOPWBSWAANJ-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO COCOc1ccc(F)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001176715771 1132996789 /nfs/dbraw/zinc/99/67/89/1132996789.db2.gz ZLOZQRZTQSULBL-UHFFFAOYSA-N 1 2 331.391 3.937 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897218 1133013879 /nfs/dbraw/zinc/01/38/79/1133013879.db2.gz KWLUQUGSKUFNMG-KBPBESRZSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897218 1133013883 /nfs/dbraw/zinc/01/38/83/1133013883.db2.gz KWLUQUGSKUFNMG-KBPBESRZSA-N 1 2 332.435 3.753 20 0 EHADLO Brc1cccnc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001176941114 1133014854 /nfs/dbraw/zinc/01/48/54/1133014854.db2.gz XVXXNQFICISPFA-QGZVFWFLSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1cccnc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001176941114 1133014859 /nfs/dbraw/zinc/01/48/59/1133014859.db2.gz XVXXNQFICISPFA-QGZVFWFLSA-N 1 2 347.256 3.808 20 0 EHADLO O=C(Nc1cc(C2CCCC2)no1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176959422 1133016605 /nfs/dbraw/zinc/01/66/05/1133016605.db2.gz XPIUNYGNMGVOTE-OAHLLOKOSA-N 1 2 340.427 3.582 20 0 EHADLO Cc1cc(Cl)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1O ZINC001176967521 1133017234 /nfs/dbraw/zinc/01/72/34/1133017234.db2.gz OSABQHWTIWYSIG-ZDUSSCGKSA-N 1 2 345.830 3.604 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cccc(F)c2o1 ZINC000742055819 1133037754 /nfs/dbraw/zinc/03/77/54/1133037754.db2.gz NHDRNDNXRBARGS-HNNXBMFYSA-N 1 2 329.375 3.613 20 0 EHADLO Cc1c(O)ccc2c(C[N@@H+]3CCc4cccc(F)c4C3)cc(=O)oc12 ZINC000767787679 1133055018 /nfs/dbraw/zinc/05/50/18/1133055018.db2.gz ZHMXZPIRSTZCHL-UHFFFAOYSA-N 1 2 339.366 3.504 20 0 EHADLO Cc1c(O)ccc2c(C[N@H+]3CCc4cccc(F)c4C3)cc(=O)oc12 ZINC000767787679 1133055024 /nfs/dbraw/zinc/05/50/24/1133055024.db2.gz ZHMXZPIRSTZCHL-UHFFFAOYSA-N 1 2 339.366 3.504 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000767800287 1133055886 /nfs/dbraw/zinc/05/58/86/1133055886.db2.gz QPJVTTYIHRNSSZ-IAGOWNOFSA-N 1 2 332.492 3.668 20 0 EHADLO CN(C)c1cc(CSCc2ccn(-c3cccc(F)c3)n2)cc[nH+]1 ZINC000767870959 1133065275 /nfs/dbraw/zinc/06/52/75/1133065275.db2.gz IQDQTZGZHJOSMU-UHFFFAOYSA-N 1 2 342.443 3.906 20 0 EHADLO COc1ccc(COCCSCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000767871954 1133065836 /nfs/dbraw/zinc/06/58/36/1133065836.db2.gz QUGHVGNLZMDBPR-UHFFFAOYSA-N 1 2 332.469 3.606 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1ccc(Br)n1 ZINC000767974340 1133075836 /nfs/dbraw/zinc/07/58/36/1133075836.db2.gz NOKBRIUXWAAQPA-DGCLKSJQSA-N 1 2 338.224 3.620 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1ccc(Br)n1 ZINC000767974340 1133075838 /nfs/dbraw/zinc/07/58/38/1133075838.db2.gz NOKBRIUXWAAQPA-DGCLKSJQSA-N 1 2 338.224 3.620 20 0 EHADLO CC[C@@H](C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000768158592 1133102410 /nfs/dbraw/zinc/10/24/10/1133102410.db2.gz ZCGPPPFJVVEOSZ-QAPCUYQASA-N 1 2 325.456 3.953 20 0 EHADLO COCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000768241629 1133112347 /nfs/dbraw/zinc/11/23/47/1133112347.db2.gz ZGPPGMSXTNHSRO-UHFFFAOYSA-N 1 2 342.270 3.625 20 0 EHADLO COCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000768241629 1133112350 /nfs/dbraw/zinc/11/23/50/1133112350.db2.gz ZGPPGMSXTNHSRO-UHFFFAOYSA-N 1 2 342.270 3.625 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)o1 ZINC000768238014 1133115924 /nfs/dbraw/zinc/11/59/24/1133115924.db2.gz ORTMGSCZVXRQGJ-UHFFFAOYSA-N 1 2 332.831 3.508 20 0 EHADLO CC(C)(C)c1nnc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000768387060 1133135716 /nfs/dbraw/zinc/13/57/16/1133135716.db2.gz BGRMQJLZJHTGOM-UHFFFAOYSA-N 1 2 349.438 3.894 20 0 EHADLO CC[C@H](C)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001178500829 1133170156 /nfs/dbraw/zinc/17/01/56/1133170156.db2.gz DMZBSZCHQOPJLG-ZDUSSCGKSA-N 1 2 340.309 3.659 20 0 EHADLO CCOC(=O)c1c2ccccc2sc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178691502 1133191109 /nfs/dbraw/zinc/19/11/09/1133191109.db2.gz ODFLQEJVISFYBR-ZDUSSCGKSA-N 1 2 346.452 3.501 20 0 EHADLO CCOC(=O)c1c2ccccc2sc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178691502 1133191113 /nfs/dbraw/zinc/19/11/13/1133191113.db2.gz ODFLQEJVISFYBR-ZDUSSCGKSA-N 1 2 346.452 3.501 20 0 EHADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2n[nH]cc2C)c1 ZINC001179479099 1133254002 /nfs/dbraw/zinc/25/40/02/1133254002.db2.gz JBOCXULVGSTJJS-UHFFFAOYSA-N 1 2 347.422 3.737 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nc(CN(C)C)cs3)s2)o1 ZINC001179608438 1133264097 /nfs/dbraw/zinc/26/40/97/1133264097.db2.gz ZEGXDQFIWCTUGQ-UHFFFAOYSA-N 1 2 348.497 3.519 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC001179653540 1133266766 /nfs/dbraw/zinc/26/67/66/1133266766.db2.gz JVXFPVNYMXSVMG-UHFFFAOYSA-N 1 2 345.874 3.706 20 0 EHADLO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769382734 1133273363 /nfs/dbraw/zinc/27/33/63/1133273363.db2.gz VLKLNOGMGSJJFU-GOSISDBHSA-N 1 2 330.403 3.637 20 0 EHADLO C[C@@H]1C[N@H+](Cc2n[nH]cc2Br)CC[C@H]1c1ccccc1 ZINC001179878221 1133298243 /nfs/dbraw/zinc/29/82/43/1133298243.db2.gz MZTRXBKQEFMFHC-TZMCWYRMSA-N 1 2 334.261 3.798 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2n[nH]cc2Br)CC[C@H]1c1ccccc1 ZINC001179878221 1133298247 /nfs/dbraw/zinc/29/82/47/1133298247.db2.gz MZTRXBKQEFMFHC-TZMCWYRMSA-N 1 2 334.261 3.798 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2c(OC)c1 ZINC001180085898 1133327258 /nfs/dbraw/zinc/32/72/58/1133327258.db2.gz ADGAXHLFDWXLQD-SFHVURJKSA-N 1 2 327.424 3.766 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2c(OC)c1 ZINC001180085898 1133327260 /nfs/dbraw/zinc/32/72/60/1133327260.db2.gz ADGAXHLFDWXLQD-SFHVURJKSA-N 1 2 327.424 3.766 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCC2)CCO1 ZINC001180120869 1133334824 /nfs/dbraw/zinc/33/48/24/1133334824.db2.gz MGROIKUMJXXBJB-FQEVSTJZSA-N 1 2 339.483 3.960 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCC2)CCO1 ZINC001180120869 1133334830 /nfs/dbraw/zinc/33/48/30/1133334830.db2.gz MGROIKUMJXXBJB-FQEVSTJZSA-N 1 2 339.483 3.960 20 0 EHADLO Cc1coc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001180178696 1133335366 /nfs/dbraw/zinc/33/53/66/1133335366.db2.gz ZURLJVDLFZUXAP-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1coc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001180178696 1133335370 /nfs/dbraw/zinc/33/53/70/1133335370.db2.gz ZURLJVDLFZUXAP-MRXNPFEDSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1c(Cl)cccc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC001180233351 1133349413 /nfs/dbraw/zinc/34/94/13/1133349413.db2.gz CXPPUHSPZIKMGC-UHFFFAOYSA-N 1 2 338.776 3.666 20 0 EHADLO COC(=O)c1cc(Br)oc1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001180322616 1133361160 /nfs/dbraw/zinc/36/11/60/1133361160.db2.gz KUQCSOJZDUJDIT-JTQLQIEISA-N 1 2 344.249 3.697 20 0 EHADLO COC(=O)c1cc(Br)oc1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001180322616 1133361164 /nfs/dbraw/zinc/36/11/64/1133361164.db2.gz KUQCSOJZDUJDIT-JTQLQIEISA-N 1 2 344.249 3.697 20 0 EHADLO CCOc1cc(F)cc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC001180375862 1133362753 /nfs/dbraw/zinc/36/27/53/1133362753.db2.gz ZWHLQTBLNKAVSW-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000770054522 1133382846 /nfs/dbraw/zinc/38/28/46/1133382846.db2.gz ATRJSBKOGLJWPY-CQSZACIVSA-N 1 2 348.431 3.921 20 0 EHADLO COc1cc(F)cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC001180665710 1133405524 /nfs/dbraw/zinc/40/55/24/1133405524.db2.gz OCASLESRMPJJEA-IBGZPJMESA-N 1 2 329.415 3.668 20 0 EHADLO COc1cc(F)cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC001180665710 1133405527 /nfs/dbraw/zinc/40/55/27/1133405527.db2.gz OCASLESRMPJJEA-IBGZPJMESA-N 1 2 329.415 3.668 20 0 EHADLO COC(=O)CCc1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1 ZINC001180780348 1133415042 /nfs/dbraw/zinc/41/50/42/1133415042.db2.gz SLVJESMDFMTTRL-UHFFFAOYSA-N 1 2 338.451 3.987 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnn(C4CCC4)c3)CCO2)cc1 ZINC001180885716 1133419684 /nfs/dbraw/zinc/41/96/84/1133419684.db2.gz SIMYGEMCXOHPNM-FQEVSTJZSA-N 1 2 325.456 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnn(C4CCC4)c3)CCO2)cc1 ZINC001180885716 1133419687 /nfs/dbraw/zinc/41/96/87/1133419687.db2.gz SIMYGEMCXOHPNM-FQEVSTJZSA-N 1 2 325.456 3.744 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770425730 1133422269 /nfs/dbraw/zinc/42/22/69/1133422269.db2.gz KKLVYXKFOYSDSY-CQSZACIVSA-N 1 2 347.422 3.756 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC001180961541 1133436072 /nfs/dbraw/zinc/43/60/72/1133436072.db2.gz DYZPLDWKQGZXPS-UHFFFAOYSA-N 1 2 338.480 3.812 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCc2ncsc2C1 ZINC001180961541 1133436074 /nfs/dbraw/zinc/43/60/74/1133436074.db2.gz DYZPLDWKQGZXPS-UHFFFAOYSA-N 1 2 338.480 3.812 20 0 EHADLO CCOC(=O)[C@H](CCOC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001180954470 1133436210 /nfs/dbraw/zinc/43/62/10/1133436210.db2.gz WUXJSGOEMGUMSC-BZSNNMDCSA-N 1 2 333.472 3.517 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001181090667 1133449426 /nfs/dbraw/zinc/44/94/26/1133449426.db2.gz ZFSRWSLBPBJDHC-CQSZACIVSA-N 1 2 342.252 3.979 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001181090667 1133449431 /nfs/dbraw/zinc/44/94/31/1133449431.db2.gz ZFSRWSLBPBJDHC-CQSZACIVSA-N 1 2 342.252 3.979 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1Cc1ccc(CF)cc1)c1ccccc1 ZINC000770665915 1133456760 /nfs/dbraw/zinc/45/67/60/1133456760.db2.gz SIVOVYWMYNSMFN-LJQANCHMSA-N 1 2 327.399 3.630 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc(CF)cc1)c1ccccc1 ZINC000770665915 1133456765 /nfs/dbraw/zinc/45/67/65/1133456765.db2.gz SIVOVYWMYNSMFN-LJQANCHMSA-N 1 2 327.399 3.630 20 0 EHADLO C[C@H]1CC[N@H+](Cn2ncn(-c3ccccc3)c2=S)CC12CCC2 ZINC000770671028 1133457904 /nfs/dbraw/zinc/45/79/04/1133457904.db2.gz WKGMKHGZSDYQRE-HNNXBMFYSA-N 1 2 328.485 3.873 20 0 EHADLO C[C@H]1CC[N@@H+](Cn2ncn(-c3ccccc3)c2=S)CC12CCC2 ZINC000770671028 1133457908 /nfs/dbraw/zinc/45/79/08/1133457908.db2.gz WKGMKHGZSDYQRE-HNNXBMFYSA-N 1 2 328.485 3.873 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC001181242687 1133468054 /nfs/dbraw/zinc/46/80/54/1133468054.db2.gz CCLWJHSKZCCOHJ-YPMHNXCESA-N 1 2 334.416 3.619 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[N@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC001181242687 1133468057 /nfs/dbraw/zinc/46/80/57/1133468057.db2.gz CCLWJHSKZCCOHJ-YPMHNXCESA-N 1 2 334.416 3.619 20 0 EHADLO CCc1cccc2c(CC(=O)OCc3cccc4[nH+]ccn43)c[nH]c21 ZINC000770921480 1133484120 /nfs/dbraw/zinc/48/41/20/1133484120.db2.gz BWCIIFOPSAENLS-UHFFFAOYSA-N 1 2 333.391 3.664 20 0 EHADLO O=C(/C=C/c1nc2ccccc2s1)OCc1cccc2[nH+]ccn21 ZINC000770923156 1133485062 /nfs/dbraw/zinc/48/50/62/1133485062.db2.gz YKRCZCSGPZVWOY-CMDGGOBGSA-N 1 2 335.388 3.701 20 0 EHADLO CNc1ccccc1C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001181436243 1133492049 /nfs/dbraw/zinc/49/20/49/1133492049.db2.gz NRXGANBGRUIQDV-CYBMUJFWSA-N 1 2 338.411 3.638 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1N(C)C)CCO2 ZINC001181673521 1133512586 /nfs/dbraw/zinc/51/25/86/1133512586.db2.gz LKLTUDHGUWHZKF-UHFFFAOYSA-N 1 2 332.394 3.734 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1N(C)C)CCO2 ZINC001181673521 1133512594 /nfs/dbraw/zinc/51/25/94/1133512594.db2.gz LKLTUDHGUWHZKF-UHFFFAOYSA-N 1 2 332.394 3.734 20 0 EHADLO CCC1(CC)C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181879526 1133545482 /nfs/dbraw/zinc/54/54/82/1133545482.db2.gz SMBBIBCRKZIVIP-BLRBJFNZSA-N 1 2 326.484 3.670 20 0 EHADLO O=C(Nc1ccccc1SC(F)F)c1cc(-n2cc[nH+]c2)ccn1 ZINC000771472120 1133558724 /nfs/dbraw/zinc/55/87/24/1133558724.db2.gz FYESAWBOKUDUCI-UHFFFAOYSA-N 1 2 346.362 3.834 20 0 EHADLO CCOC1CC([N@H+](C)Cc2c(F)cc(Br)cc2F)C1 ZINC001182129018 1133574581 /nfs/dbraw/zinc/57/45/81/1133574581.db2.gz WCHDGVOORNIQGA-UHFFFAOYSA-N 1 2 334.204 3.727 20 0 EHADLO CCOC1CC([N@@H+](C)Cc2c(F)cc(Br)cc2F)C1 ZINC001182129018 1133574588 /nfs/dbraw/zinc/57/45/88/1133574588.db2.gz WCHDGVOORNIQGA-UHFFFAOYSA-N 1 2 334.204 3.727 20 0 EHADLO CCOC(=O)c1sc2nccnc2c1Nc1ccc(C)[nH+]c1C ZINC001203370264 1133584630 /nfs/dbraw/zinc/58/46/30/1133584630.db2.gz KBZLNHHZOIDUCF-UHFFFAOYSA-N 1 2 328.397 3.623 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NCOc1ccccc1)c1ccccc1Cl ZINC001182224135 1133599764 /nfs/dbraw/zinc/59/97/64/1133599764.db2.gz NYJRXECUWMJHOS-GOSISDBHSA-N 1 2 346.858 3.876 20 0 EHADLO Cn1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)n1 ZINC001182246960 1133600560 /nfs/dbraw/zinc/60/05/60/1133600560.db2.gz ZBRXNVWJAZWYFU-QGZVFWFLSA-N 1 2 346.862 3.629 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000771856932 1133608228 /nfs/dbraw/zinc/60/82/28/1133608228.db2.gz VYUAANYHUIUWKL-UHFFFAOYSA-N 1 2 336.391 3.628 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)cc1F ZINC001182271570 1133609288 /nfs/dbraw/zinc/60/92/88/1133609288.db2.gz IKBNHFTWSJEIDW-ABAIWWIYSA-N 1 2 328.225 3.507 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)cc1F ZINC001182271570 1133609293 /nfs/dbraw/zinc/60/92/93/1133609293.db2.gz IKBNHFTWSJEIDW-ABAIWWIYSA-N 1 2 328.225 3.507 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2OC(F)(F)F)[C@@H]2COC[C@@H]21 ZINC001182309630 1133625502 /nfs/dbraw/zinc/62/55/02/1133625502.db2.gz PMZXCSGIDKGOLB-WCQYABFASA-N 1 2 333.325 3.581 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2OC(F)(F)F)[C@@H]2COC[C@@H]21 ZINC001182309630 1133625505 /nfs/dbraw/zinc/62/55/05/1133625505.db2.gz PMZXCSGIDKGOLB-WCQYABFASA-N 1 2 333.325 3.581 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000772100193 1133639390 /nfs/dbraw/zinc/63/93/90/1133639390.db2.gz YUVXOLOGNJNOQM-MRXNPFEDSA-N 1 2 345.531 3.910 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1C ZINC000785733448 1133742706 /nfs/dbraw/zinc/74/27/06/1133742706.db2.gz QZLHEJHHRGUMEA-HUUCEWRRSA-N 1 2 331.456 3.730 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)c(C)c1 ZINC001183012640 1133757619 /nfs/dbraw/zinc/75/76/19/1133757619.db2.gz UYUPZCLPNPNLFD-UHFFFAOYSA-N 1 2 330.859 3.985 20 0 EHADLO CCOC[C@H]1C[N@H+](C/C(C)=C/c2ccccc2C(F)(F)F)CCO1 ZINC001183248602 1133786550 /nfs/dbraw/zinc/78/65/50/1133786550.db2.gz POIFQHHHPUMQTK-HFQYIWAZSA-N 1 2 343.389 3.846 20 0 EHADLO CCOC[C@H]1C[N@@H+](C/C(C)=C/c2ccccc2C(F)(F)F)CCO1 ZINC001183248602 1133786554 /nfs/dbraw/zinc/78/65/54/1133786554.db2.gz POIFQHHHPUMQTK-HFQYIWAZSA-N 1 2 343.389 3.846 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cccc(Cl)c2F)cc1OC ZINC000786114353 1133802362 /nfs/dbraw/zinc/80/23/62/1133802362.db2.gz LOPNZEMLDBBZEN-UHFFFAOYSA-N 1 2 338.766 3.543 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H](CF)C2)c(F)cc1Br ZINC001183519869 1133813475 /nfs/dbraw/zinc/81/34/75/1133813475.db2.gz GVDNXPXNAHIFBO-SNVBAGLBSA-N 1 2 334.204 3.778 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H](CF)C2)c(F)cc1Br ZINC001183519869 1133813480 /nfs/dbraw/zinc/81/34/80/1133813480.db2.gz GVDNXPXNAHIFBO-SNVBAGLBSA-N 1 2 334.204 3.778 20 0 EHADLO COC1(C)CC[NH+](Cn2c3cc(Cl)ccc3n(C)c2=S)CC1 ZINC000774648139 1133824519 /nfs/dbraw/zinc/82/45/19/1133824519.db2.gz SJGHNKUVAZIXLJ-UHFFFAOYSA-N 1 2 339.892 3.821 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC001183532924 1133825623 /nfs/dbraw/zinc/82/56/23/1133825623.db2.gz IFYYVFBCPFMPPE-WFASDCNBSA-N 1 2 342.277 3.730 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCOCC[C@@H]3C)c2=S)c(C)c1 ZINC000774659607 1133839659 /nfs/dbraw/zinc/83/96/59/1133839659.db2.gz JISUMSGNGLOGHY-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCOCC[C@@H]3C)c2=S)c(C)c1 ZINC000774659607 1133839668 /nfs/dbraw/zinc/83/96/68/1133839668.db2.gz JISUMSGNGLOGHY-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC001183981354 1133885432 /nfs/dbraw/zinc/88/54/32/1133885432.db2.gz KTYNLWULEKPSPT-QRVBRYPASA-N 1 2 331.406 3.891 20 0 EHADLO CCOc1ccc(CCC2CC[NH+](Cn3ccsc3=O)CC2)cc1 ZINC000746604301 1133903845 /nfs/dbraw/zinc/90/38/45/1133903845.db2.gz DEJQPYBSRHOYLB-UHFFFAOYSA-N 1 2 346.496 3.611 20 0 EHADLO CC(C)(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001184222586 1133910258 /nfs/dbraw/zinc/91/02/58/1133910258.db2.gz KFWSDXSVVVNYQC-BRWVUGGUSA-N 1 2 329.488 3.629 20 0 EHADLO CCOc1cncc(C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c1 ZINC001184240414 1133914239 /nfs/dbraw/zinc/91/42/39/1133914239.db2.gz XFKYBTCJOXEGFM-UHFFFAOYSA-N 1 2 345.874 3.764 20 0 EHADLO Cc1ccncc1/C=C/C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000786917101 1133921668 /nfs/dbraw/zinc/92/16/68/1133921668.db2.gz FTZBNZVYMJEIOL-GQCTYLIASA-N 1 2 333.391 3.641 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1ccccc1OC ZINC000787278326 1133984204 /nfs/dbraw/zinc/98/42/04/1133984204.db2.gz DGMSPCAVOWCMTQ-WMLDXEAASA-N 1 2 343.475 3.989 20 0 EHADLO CCc1cc(NCc2ccc(N3CCC(C)CC3)nc2)nc(CC)[nH+]1 ZINC001184892610 1133998219 /nfs/dbraw/zinc/99/82/19/1133998219.db2.gz HENDEJVJGVXKAV-UHFFFAOYSA-N 1 2 339.487 3.845 20 0 EHADLO Cc1nc(NCCO[C@H]2CCCC[C@H]2C)c(Br)c(C)[nH+]1 ZINC001184874153 1134000930 /nfs/dbraw/zinc/00/09/30/1134000930.db2.gz LAHIVIARRGARKY-MFKMUULPSA-N 1 2 342.281 3.863 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001184880267 1134002376 /nfs/dbraw/zinc/00/23/76/1134002376.db2.gz RVQSGRUNVAZNKX-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001184880267 1134002385 /nfs/dbraw/zinc/00/23/85/1134002385.db2.gz RVQSGRUNVAZNKX-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO CC1(C)Cc2c(Nc3ccc[nH+]c3N3CCCC3)cccc2NC1=O ZINC001185042280 1134023823 /nfs/dbraw/zinc/02/38/23/1134023823.db2.gz CZKBEWRUZCHFPO-UHFFFAOYSA-N 1 2 336.439 3.946 20 0 EHADLO Cc1ccc(F)c(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001185254697 1134057963 /nfs/dbraw/zinc/05/79/63/1134057963.db2.gz BCWJHZNFRMFJGW-HNNXBMFYSA-N 1 2 329.375 3.604 20 0 EHADLO O[C@H](CNc1nc2ccccc2n2c[nH+]cc12)c1ccccc1Cl ZINC001185428878 1134084777 /nfs/dbraw/zinc/08/47/77/1134084777.db2.gz DGDXRQNBGDBTML-QGZVFWFLSA-N 1 2 338.798 3.681 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245335 1134100987 /nfs/dbraw/zinc/10/09/87/1134100987.db2.gz FIAHGFHTBNCZRS-ZBFHGGJFSA-N 1 2 347.503 3.636 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245335 1134100993 /nfs/dbraw/zinc/10/09/93/1134100993.db2.gz FIAHGFHTBNCZRS-ZBFHGGJFSA-N 1 2 347.503 3.636 20 0 EHADLO CC(=O)c1ccc(CCNc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001185838877 1134140150 /nfs/dbraw/zinc/14/01/50/1134140150.db2.gz QUWGOBJEEHXBAA-UHFFFAOYSA-N 1 2 330.391 3.740 20 0 EHADLO C[NH+](C)c1ccc(NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788717398 1134161825 /nfs/dbraw/zinc/16/18/25/1134161825.db2.gz GCYSZAMLVVNWDJ-UHFFFAOYSA-N 1 2 331.460 3.564 20 0 EHADLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc[nH]c(=O)c1 ZINC000788711938 1134161900 /nfs/dbraw/zinc/16/19/00/1134161900.db2.gz PQEPANMRSOCMOO-AWEZNQCLSA-N 1 2 332.407 3.876 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]Cc1ccc3c(n1)CCCC3)COC2 ZINC000788775966 1134173737 /nfs/dbraw/zinc/17/37/37/1134173737.db2.gz NLDOHGXYPDPKNB-GOSISDBHSA-N 1 2 328.843 3.975 20 0 EHADLO C[C@H](NC(=O)NCC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC001186405180 1134208674 /nfs/dbraw/zinc/20/86/74/1134208674.db2.gz ULKVDMKPQHNZSJ-INIZCTEOSA-N 1 2 344.503 3.566 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCC(C)(F)F ZINC001187022531 1134283731 /nfs/dbraw/zinc/28/37/31/1134283731.db2.gz AJMGJTAMSSAVQH-OCCSQVGLSA-N 1 2 346.368 3.619 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCC(C)(F)F ZINC001187022531 1134283739 /nfs/dbraw/zinc/28/37/39/1134283739.db2.gz AJMGJTAMSSAVQH-OCCSQVGLSA-N 1 2 346.368 3.619 20 0 EHADLO COc1ccc(F)c(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC001187108487 1134293962 /nfs/dbraw/zinc/29/39/62/1134293962.db2.gz ONSNNIFKZNXORL-UHFFFAOYSA-N 1 2 340.196 3.616 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2cncc(F)c2I)c1 ZINC001203654976 1134301617 /nfs/dbraw/zinc/30/16/17/1134301617.db2.gz VWDPFHPWKLJAQI-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO COC1(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CCCCCC1 ZINC001273543119 1134350629 /nfs/dbraw/zinc/35/06/29/1134350629.db2.gz GGCNWHRUQDWFKE-UHFFFAOYSA-N 1 2 341.455 3.979 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3cc(F)cc(F)c3)c[nH+]c12 ZINC001187595696 1134350882 /nfs/dbraw/zinc/35/08/82/1134350882.db2.gz VUBASRFADIFRNP-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO CCc1ccccc1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001187633006 1134359572 /nfs/dbraw/zinc/35/95/72/1134359572.db2.gz ZHQGSZYHCLSXKZ-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO CCc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000790156291 1134376437 /nfs/dbraw/zinc/37/64/37/1134376437.db2.gz BHVKAZMSIAXASX-UHFFFAOYSA-N 1 2 343.496 3.863 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3cc(C)ccc3C2)C1 ZINC000790447236 1134419483 /nfs/dbraw/zinc/41/94/83/1134419483.db2.gz PJJYMEKBTCSPBE-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3cc(C)ccc3C2)C1 ZINC000790447236 1134419487 /nfs/dbraw/zinc/41/94/87/1134419487.db2.gz PJJYMEKBTCSPBE-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO CCSc1nn(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c(=S)s1 ZINC000790476488 1134422563 /nfs/dbraw/zinc/42/25/63/1134422563.db2.gz FKQJDMIGPUWMQW-NWDGAFQWSA-N 1 2 347.575 3.881 20 0 EHADLO CCSc1nn(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c(=S)s1 ZINC000790476488 1134422566 /nfs/dbraw/zinc/42/25/66/1134422566.db2.gz FKQJDMIGPUWMQW-NWDGAFQWSA-N 1 2 347.575 3.881 20 0 EHADLO CC(C)[C@H]1C[C@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000790504790 1134428438 /nfs/dbraw/zinc/42/84/38/1134428438.db2.gz OMIXFBZCNPPNGT-YNVMFWSZSA-N 1 2 332.488 3.916 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CCC1)Nc1cccc(Cl)c1F ZINC001188427302 1134462502 /nfs/dbraw/zinc/46/25/02/1134462502.db2.gz QADNJBZAGJEWMC-UHFFFAOYSA-N 1 2 336.798 3.797 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1cc(Cl)ccc1Cl ZINC001189008743 1134531804 /nfs/dbraw/zinc/53/18/04/1134531804.db2.gz PLOQUIJONDVYRV-LLVKDONJSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1cc(Cl)ccc1Cl ZINC001189008743 1134531806 /nfs/dbraw/zinc/53/18/06/1134531806.db2.gz PLOQUIJONDVYRV-LLVKDONJSA-N 1 2 334.222 3.549 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cccc(F)c2C)CC1 ZINC001189033882 1134535227 /nfs/dbraw/zinc/53/52/27/1134535227.db2.gz RPORQTKCGIULBY-UHFFFAOYSA-N 1 2 342.418 3.608 20 0 EHADLO Cc1c(F)cccc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001189050189 1134537526 /nfs/dbraw/zinc/53/75/26/1134537526.db2.gz CEEKNWORESFJQS-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2sccc2c(O)c1 ZINC000791354364 1134539579 /nfs/dbraw/zinc/53/95/79/1134539579.db2.gz ZVXYKAPWNIDXPM-UHFFFAOYSA-N 1 2 341.436 3.624 20 0 EHADLO CCC[C@H]1C[C@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791451440 1134554259 /nfs/dbraw/zinc/55/42/59/1134554259.db2.gz UJKGRHDGYKRPAP-APWZRJJASA-N 1 2 342.439 3.819 20 0 EHADLO CCC[C@H]1C[C@@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791451443 1134554443 /nfs/dbraw/zinc/55/44/43/1134554443.db2.gz UJKGRHDGYKRPAP-LPHOPBHVSA-N 1 2 342.439 3.819 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1cccc(Cl)c1Cl ZINC001189244432 1134556710 /nfs/dbraw/zinc/55/67/10/1134556710.db2.gz XOANLPJJARVPMY-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1cccc(Cl)c1Cl ZINC001189244432 1134556714 /nfs/dbraw/zinc/55/67/14/1134556714.db2.gz XOANLPJJARVPMY-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)c1 ZINC000791554606 1134573339 /nfs/dbraw/zinc/57/33/39/1134573339.db2.gz SVWVGQNWOYAPHK-KEYYUXOJSA-N 1 2 327.428 3.605 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)o2)c1 ZINC000791554606 1134573344 /nfs/dbraw/zinc/57/33/44/1134573344.db2.gz SVWVGQNWOYAPHK-KEYYUXOJSA-N 1 2 327.428 3.605 20 0 EHADLO Nc1cc(COC(=O)CCn2c3ccccc3c3ccccc32)cc[nH+]1 ZINC000791731707 1134597445 /nfs/dbraw/zinc/59/74/45/1134597445.db2.gz HOUCEPQRWIQKRO-UHFFFAOYSA-N 1 2 345.402 3.905 20 0 EHADLO Cn1c(C(=O)OCc2cc[nH+]c(N)c2)cc2cc(C(F)(F)F)ccc21 ZINC000791967066 1134639314 /nfs/dbraw/zinc/63/93/14/1134639314.db2.gz YKBDTHNSZAVWEJ-UHFFFAOYSA-N 1 2 349.312 3.531 20 0 EHADLO C[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000792156696 1134658889 /nfs/dbraw/zinc/65/88/89/1134658889.db2.gz LIOFGSBVZOYJRA-UHFFFAOYSA-N 1 2 349.434 3.756 20 0 EHADLO C[N@H+](Cc1ccc(OCC2CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000792156696 1134658893 /nfs/dbraw/zinc/65/88/93/1134658893.db2.gz LIOFGSBVZOYJRA-UHFFFAOYSA-N 1 2 349.434 3.756 20 0 EHADLO O=C(NCC1(Cc2ccccc2F)CC1)c1ccccc1-n1cc[nH+]c1 ZINC001190111944 1134661196 /nfs/dbraw/zinc/66/11/96/1134661196.db2.gz APAIFMLNNVLLFX-UHFFFAOYSA-N 1 2 349.409 3.764 20 0 EHADLO Cc1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)c(N(C)C)[nH+]1 ZINC000792337973 1134683135 /nfs/dbraw/zinc/68/31/35/1134683135.db2.gz NQYUXUBNQTUTCV-UHFFFAOYSA-N 1 2 344.846 3.700 20 0 EHADLO C[C@H]1C[NH+](Cc2ccc3oc4ccccc4c3c2)C[C@H](C)S1=O ZINC000792389600 1134683882 /nfs/dbraw/zinc/68/38/82/1134683882.db2.gz USVRYQMLUQXONZ-KBPBESRZSA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001170250816 1134732137 /nfs/dbraw/zinc/73/21/37/1134732137.db2.gz SSQIHRNSMOIKOI-GJZGRUSLSA-N 1 2 331.843 3.993 20 0 EHADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)N(C)C ZINC001190723279 1134742824 /nfs/dbraw/zinc/74/28/24/1134742824.db2.gz INKIKIRJMVSVLE-KRWDZBQOSA-N 1 2 337.895 3.554 20 0 EHADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)N(C)C ZINC001190723279 1134742830 /nfs/dbraw/zinc/74/28/30/1134742830.db2.gz INKIKIRJMVSVLE-KRWDZBQOSA-N 1 2 337.895 3.554 20 0 EHADLO C[C@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001170288173 1134743002 /nfs/dbraw/zinc/74/30/02/1134743002.db2.gz MGCXWKRCYXFRDL-CQSZACIVSA-N 1 2 348.899 3.791 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCOC[C@H]3C)c2=S)cc1C ZINC000772819470 1134776777 /nfs/dbraw/zinc/77/67/77/1134776777.db2.gz CQRQBTWQXJNGCA-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCOC[C@H]3C)c2=S)cc1C ZINC000772819470 1134776782 /nfs/dbraw/zinc/77/67/82/1134776782.db2.gz CQRQBTWQXJNGCA-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000792707998 1134783404 /nfs/dbraw/zinc/78/34/04/1134783404.db2.gz QRUGBRLRTCNZCL-HNAYVOBHSA-N 1 2 326.415 3.743 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000792707998 1134783410 /nfs/dbraw/zinc/78/34/10/1134783410.db2.gz QRUGBRLRTCNZCL-HNAYVOBHSA-N 1 2 326.415 3.743 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001191040433 1134789988 /nfs/dbraw/zinc/78/99/88/1134789988.db2.gz XDAUSVVWISFNNR-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001191040433 1134789995 /nfs/dbraw/zinc/78/99/95/1134789995.db2.gz XDAUSVVWISFNNR-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3ccc(COC)cc3)CC2)s1 ZINC001191121862 1134796494 /nfs/dbraw/zinc/79/64/94/1134796494.db2.gz NMJRUZORGQKJTO-UHFFFAOYSA-N 1 2 344.524 3.775 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399860 1134856162 /nfs/dbraw/zinc/85/61/62/1134856162.db2.gz MZSXOFPZCYAKDM-DGCLKSJQSA-N 1 2 346.254 3.788 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399860 1134856166 /nfs/dbraw/zinc/85/61/66/1134856166.db2.gz MZSXOFPZCYAKDM-DGCLKSJQSA-N 1 2 346.254 3.788 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399863 1134856486 /nfs/dbraw/zinc/85/64/86/1134856486.db2.gz MZSXOFPZCYAKDM-YPMHNXCESA-N 1 2 346.254 3.788 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399863 1134856491 /nfs/dbraw/zinc/85/64/91/1134856491.db2.gz MZSXOFPZCYAKDM-YPMHNXCESA-N 1 2 346.254 3.788 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@@H]2CCC[C@H](OC)C2)n1 ZINC000793154844 1134864609 /nfs/dbraw/zinc/86/46/09/1134864609.db2.gz UIOVQFFWDHPZQY-HIFRSBDPSA-N 1 2 339.505 3.519 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000793239563 1134886147 /nfs/dbraw/zinc/88/61/47/1134886147.db2.gz CSICBIBSTTVZCJ-UHFFFAOYSA-N 1 2 334.847 3.818 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000793239955 1134886411 /nfs/dbraw/zinc/88/64/11/1134886411.db2.gz ANTYVONKOVWENW-UHFFFAOYSA-N 1 2 347.827 3.597 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+]([C@H]3C[C@@H]3c3cccc(F)c3)CCO2)c1 ZINC001191558607 1134888484 /nfs/dbraw/zinc/88/84/84/1134888484.db2.gz GATXCZZRAQVQTK-AABGKKOBSA-N 1 2 327.399 3.764 20 0 EHADLO COc1cccc([C@@H]2C[N@H+]([C@H]3C[C@@H]3c3cccc(F)c3)CCO2)c1 ZINC001191558607 1134888488 /nfs/dbraw/zinc/88/84/88/1134888488.db2.gz GATXCZZRAQVQTK-AABGKKOBSA-N 1 2 327.399 3.764 20 0 EHADLO Cc1cccc(C2(C(=O)OCCc3c[nH+]cn3C)CCCCC2)c1 ZINC000793251561 1134889309 /nfs/dbraw/zinc/88/93/09/1134889309.db2.gz GPUQFZXIXNKNDW-UHFFFAOYSA-N 1 2 326.440 3.716 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccnc(Oc2ccccc2)c1 ZINC001191813613 1134919269 /nfs/dbraw/zinc/91/92/69/1134919269.db2.gz JTGNJWVGWXTGIA-UHFFFAOYSA-N 1 2 348.406 3.725 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1Cl ZINC001191785890 1134921505 /nfs/dbraw/zinc/92/15/05/1134921505.db2.gz VTCRISKMGKCYJW-HNNXBMFYSA-N 1 2 344.846 3.834 20 0 EHADLO O=C(c1cncc(-c2cccs2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001191825028 1134931613 /nfs/dbraw/zinc/93/16/13/1134931613.db2.gz ZJBOKYPXSXBADY-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1cncc(-c2cccs2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001191825028 1134931621 /nfs/dbraw/zinc/93/16/21/1134931621.db2.gz ZJBOKYPXSXBADY-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO C[C@@]12CC[N@H+](Cn3nc(-c4cccs4)oc3=S)C[C@@H]1C2(F)F ZINC000793527702 1134947728 /nfs/dbraw/zinc/94/77/28/1134947728.db2.gz KJVKOJKHAVAWGG-GXFFZTMASA-N 1 2 343.424 3.869 20 0 EHADLO C[C@@]12CC[N@@H+](Cn3nc(-c4cccs4)oc3=S)C[C@@H]1C2(F)F ZINC000793527702 1134947733 /nfs/dbraw/zinc/94/77/33/1134947733.db2.gz KJVKOJKHAVAWGG-GXFFZTMASA-N 1 2 343.424 3.869 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192172310 1134974275 /nfs/dbraw/zinc/97/42/75/1134974275.db2.gz AYNGOWRSAYVZBD-AWEZNQCLSA-N 1 2 333.350 3.605 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192172310 1134974279 /nfs/dbraw/zinc/97/42/79/1134974279.db2.gz AYNGOWRSAYVZBD-AWEZNQCLSA-N 1 2 333.350 3.605 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001192233047 1134989367 /nfs/dbraw/zinc/98/93/67/1134989367.db2.gz CAYQUWLYMLYWPM-IBGZPJMESA-N 1 2 335.488 3.627 20 0 EHADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001192233047 1134989369 /nfs/dbraw/zinc/98/93/69/1134989369.db2.gz CAYQUWLYMLYWPM-IBGZPJMESA-N 1 2 335.488 3.627 20 0 EHADLO CC(C)c1ccccc1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001192283321 1134993423 /nfs/dbraw/zinc/99/34/23/1134993423.db2.gz JZZNMVZKKRWKGO-UHFFFAOYSA-N 1 2 326.375 3.919 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(OCc2ccccc2)n1 ZINC001192346272 1135010860 /nfs/dbraw/zinc/01/08/60/1135010860.db2.gz JNYVNWMCFIXZMO-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO Cc1cc2sc(NC(=O)c3cccc4[nH+]ccn43)nc2cc1F ZINC000794250981 1135031610 /nfs/dbraw/zinc/03/16/10/1135031610.db2.gz KMUBJGPCBAMZQG-UHFFFAOYSA-N 1 2 326.356 3.644 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC001192902615 1135070830 /nfs/dbraw/zinc/07/08/30/1135070830.db2.gz YYLLHRHFEGGSBF-QGZVFWFLSA-N 1 2 325.437 3.682 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCc2ccccc21 ZINC001192988621 1135081904 /nfs/dbraw/zinc/08/19/04/1135081904.db2.gz DJJONUYVTDFNKV-LJQANCHMSA-N 1 2 332.407 3.740 20 0 EHADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775580230 1135112090 /nfs/dbraw/zinc/11/20/90/1135112090.db2.gz IHPPJDLNHMYANZ-HXUWFJFHSA-N 1 2 336.414 3.803 20 0 EHADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775580230 1135112094 /nfs/dbraw/zinc/11/20/94/1135112094.db2.gz IHPPJDLNHMYANZ-HXUWFJFHSA-N 1 2 336.414 3.803 20 0 EHADLO CCOC(=O)C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001193187702 1135116393 /nfs/dbraw/zinc/11/63/93/1135116393.db2.gz FPOXOGYNJZDIFV-UHFFFAOYSA-N 1 2 345.361 3.502 20 0 EHADLO CCOC(=O)C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001193187702 1135116399 /nfs/dbraw/zinc/11/63/99/1135116399.db2.gz FPOXOGYNJZDIFV-UHFFFAOYSA-N 1 2 345.361 3.502 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)c1F ZINC001203174014 1135186173 /nfs/dbraw/zinc/18/61/73/1135186173.db2.gz KNESLUKJBHASFR-UHFFFAOYSA-N 1 2 347.390 3.782 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001193960642 1135206803 /nfs/dbraw/zinc/20/68/03/1135206803.db2.gz TXLOXELAMXXOQJ-GOSISDBHSA-N 1 2 347.503 3.595 20 0 EHADLO O=C(c1ccc(C2CC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001194172929 1135237343 /nfs/dbraw/zinc/23/73/43/1135237343.db2.gz VKTXGKZFHGIEFQ-QGZVFWFLSA-N 1 2 334.410 3.510 20 0 EHADLO CC(C)(C)COC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001194414812 1135266561 /nfs/dbraw/zinc/26/65/61/1135266561.db2.gz ALNKJGZVFXNIEM-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC001194818615 1135326362 /nfs/dbraw/zinc/32/63/62/1135326362.db2.gz XBNZCPQSLSXOBU-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC001194818615 1135326366 /nfs/dbraw/zinc/32/63/66/1135326366.db2.gz XBNZCPQSLSXOBU-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cc3ccccc3n2C)c1 ZINC001194886025 1135335374 /nfs/dbraw/zinc/33/53/74/1135335374.db2.gz KZILFIOWPPQXBO-UHFFFAOYSA-N 1 2 330.391 3.831 20 0 EHADLO Cn1ccc2cc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)ccc21 ZINC001194908763 1135339094 /nfs/dbraw/zinc/33/90/94/1135339094.db2.gz FJHVNCPMPAQLGH-UHFFFAOYSA-N 1 2 330.391 3.831 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccccc2-c2cnco2)c1 ZINC001194910717 1135339104 /nfs/dbraw/zinc/33/91/04/1135339104.db2.gz XLLKLHOBYZYIMI-UHFFFAOYSA-N 1 2 344.374 3.994 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)C1CC1 ZINC001194918576 1135340315 /nfs/dbraw/zinc/34/03/15/1135340315.db2.gz ZUWWGYSHRIHZHG-FQEVSTJZSA-N 1 2 346.434 3.672 20 0 EHADLO Fc1ccc(F)c(C[N@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001137930491 1135368339 /nfs/dbraw/zinc/36/83/39/1135368339.db2.gz QQUQMWLKGROAPF-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO Fc1ccc(F)c(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001137930491 1135368345 /nfs/dbraw/zinc/36/83/45/1135368345.db2.gz QQUQMWLKGROAPF-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO O=C(c1sccc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001195208705 1135393168 /nfs/dbraw/zinc/39/31/68/1135393168.db2.gz RLWJBBARKBYTDX-VIFPVBQESA-N 1 2 329.347 3.510 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001195485547 1135432118 /nfs/dbraw/zinc/43/21/18/1135432118.db2.gz RTLFIKBSJIIYOY-UHFFFAOYSA-N 1 2 341.455 3.844 20 0 EHADLO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000775668853 1135457622 /nfs/dbraw/zinc/45/76/22/1135457622.db2.gz ZDXSHGVBUMMEPI-ZANVPECISA-N 1 2 341.814 3.544 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001195703759 1135457706 /nfs/dbraw/zinc/45/77/06/1135457706.db2.gz CINNCUDEVCUDCJ-GJZGRUSLSA-N 1 2 345.842 3.565 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001195703759 1135457708 /nfs/dbraw/zinc/45/77/08/1135457708.db2.gz CINNCUDEVCUDCJ-GJZGRUSLSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CCCCCC1 ZINC001195766459 1135462116 /nfs/dbraw/zinc/46/21/16/1135462116.db2.gz FGDALEMTGLEUMW-DLBZAZTESA-N 1 2 337.504 3.968 20 0 EHADLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001196014736 1135506171 /nfs/dbraw/zinc/50/61/71/1135506171.db2.gz XDXBPHBBCOTAIR-OWQGQXMQSA-N 1 2 342.389 3.878 20 0 EHADLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001196014736 1135506175 /nfs/dbraw/zinc/50/61/75/1135506175.db2.gz XDXBPHBBCOTAIR-OWQGQXMQSA-N 1 2 342.389 3.878 20 0 EHADLO O=C1C[C@@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)Oc2ccccc21 ZINC001196131962 1135519739 /nfs/dbraw/zinc/51/97/39/1135519739.db2.gz KMBORBJWHHHWBM-HXUWFJFHSA-N 1 2 343.373 3.965 20 0 EHADLO O=C1C[C@@]2(CCC[N@H+](Cc3ccc(F)c(F)c3)C2)Oc2ccccc21 ZINC001196131962 1135519742 /nfs/dbraw/zinc/51/97/42/1135519742.db2.gz KMBORBJWHHHWBM-HXUWFJFHSA-N 1 2 343.373 3.965 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000807219926 1135529292 /nfs/dbraw/zinc/52/92/92/1135529292.db2.gz KTZASZPXFLGCBB-UHFFFAOYSA-N 1 2 344.434 3.511 20 0 EHADLO Fc1ccc2c(c1Br)C[N@@H+](CCOCC1CCC1)CC2 ZINC001196356441 1135550875 /nfs/dbraw/zinc/55/08/75/1135550875.db2.gz DPHOKBSZNHYXQL-UHFFFAOYSA-N 1 2 342.252 3.763 20 0 EHADLO Fc1ccc2c(c1Br)C[N@H+](CCOCC1CCC1)CC2 ZINC001196356441 1135550881 /nfs/dbraw/zinc/55/08/81/1135550881.db2.gz DPHOKBSZNHYXQL-UHFFFAOYSA-N 1 2 342.252 3.763 20 0 EHADLO CCC[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001196402952 1135556209 /nfs/dbraw/zinc/55/62/09/1135556209.db2.gz QTHGDUMVDKVWJV-UHFFFAOYSA-N 1 2 333.067 3.980 20 0 EHADLO CCC[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001196402952 1135556213 /nfs/dbraw/zinc/55/62/13/1135556213.db2.gz QTHGDUMVDKVWJV-UHFFFAOYSA-N 1 2 333.067 3.980 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C)(F)CC3)n2)cc1 ZINC001196583736 1135586552 /nfs/dbraw/zinc/58/65/52/1135586552.db2.gz VODKGBJGIPJFPG-UHFFFAOYSA-N 1 2 347.459 3.881 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C3CCCC3)n2)C1 ZINC000867186039 1135587477 /nfs/dbraw/zinc/58/74/77/1135587477.db2.gz FWIZNEYMRVJTFK-QGZVFWFLSA-N 1 2 327.428 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C3CCCC3)n2)C1 ZINC000867186039 1135587484 /nfs/dbraw/zinc/58/74/84/1135587484.db2.gz FWIZNEYMRVJTFK-QGZVFWFLSA-N 1 2 327.428 3.609 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1F ZINC001196735009 1135605145 /nfs/dbraw/zinc/60/51/45/1135605145.db2.gz CCUKKXOYTNXVLR-LJQANCHMSA-N 1 2 343.442 3.911 20 0 EHADLO Cc1nc(NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000808137114 1135621826 /nfs/dbraw/zinc/62/18/26/1135621826.db2.gz OFPBJGYIIATKQF-SHTZXODSSA-N 1 2 334.464 3.528 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000808142326 1135623718 /nfs/dbraw/zinc/62/37/18/1135623718.db2.gz RQFYWQBGCIZFEC-UHFFFAOYSA-N 1 2 340.389 3.886 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000808142326 1135623720 /nfs/dbraw/zinc/62/37/20/1135623720.db2.gz RQFYWQBGCIZFEC-UHFFFAOYSA-N 1 2 340.389 3.886 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433398 1135625560 /nfs/dbraw/zinc/62/55/60/1135625560.db2.gz QOVSZJGBIUIXGO-YJBOKZPZSA-N 1 2 330.472 3.842 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433398 1135625562 /nfs/dbraw/zinc/62/55/62/1135625562.db2.gz QOVSZJGBIUIXGO-YJBOKZPZSA-N 1 2 330.472 3.842 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182162 1135627431 /nfs/dbraw/zinc/62/74/31/1135627431.db2.gz FTQODBBEBWNBNG-BBKFTCMMSA-N 1 2 349.478 3.984 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182162 1135627434 /nfs/dbraw/zinc/62/74/34/1135627434.db2.gz FTQODBBEBWNBNG-BBKFTCMMSA-N 1 2 349.478 3.984 20 0 EHADLO CC(C)c1cc(N[C@@H]2COc3ccccc3[C@H]2O)nc(C(C)C)[nH+]1 ZINC000808167680 1135629292 /nfs/dbraw/zinc/62/92/92/1135629292.db2.gz HCJJQJOEVWMXFA-CRAIPNDOSA-N 1 2 327.428 3.630 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)Nc3ccc(F)cc3)c[nH+]c12 ZINC001196963986 1135635275 /nfs/dbraw/zinc/63/52/75/1135635275.db2.gz GQNRPTAKRSBDHI-LBPRGKRZSA-N 1 2 328.416 3.829 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000102764682 1135646107 /nfs/dbraw/zinc/64/61/07/1135646107.db2.gz UJZFZNIRYZCNBX-XJKSGUPXSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000102764682 1135646112 /nfs/dbraw/zinc/64/61/12/1135646112.db2.gz UJZFZNIRYZCNBX-XJKSGUPXSA-N 1 2 346.471 3.968 20 0 EHADLO Cn1cnc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000808383698 1135656853 /nfs/dbraw/zinc/65/68/53/1135656853.db2.gz NGFFZKGBUGWETN-UHFFFAOYSA-N 1 2 346.228 3.732 20 0 EHADLO CO[C@@H](C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177895 1135657095 /nfs/dbraw/zinc/65/70/95/1135657095.db2.gz XZMVSVCRGZSHLE-SJORKVTESA-N 1 2 337.435 3.709 20 0 EHADLO CO[C@@H](C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177895 1135657098 /nfs/dbraw/zinc/65/70/98/1135657098.db2.gz XZMVSVCRGZSHLE-SJORKVTESA-N 1 2 337.435 3.709 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC3(C)CCCC3)CC2)cc1 ZINC000808398452 1135663078 /nfs/dbraw/zinc/66/30/78/1135663078.db2.gz QZXDDWGTBSTDFJ-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000808449842 1135669153 /nfs/dbraw/zinc/66/91/53/1135669153.db2.gz ZUVMFOXDDQWFGL-ZWKOTPCHSA-N 1 2 343.377 3.843 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001197650626 1135716030 /nfs/dbraw/zinc/71/60/30/1135716030.db2.gz CNKLPKMHUVQZCC-CQSZACIVSA-N 1 2 338.386 3.899 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726241 1135723650 /nfs/dbraw/zinc/72/36/50/1135723650.db2.gz UYVMSNKOFMNGDX-WWMYMODYSA-N 1 2 348.450 3.618 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726241 1135723655 /nfs/dbraw/zinc/72/36/55/1135723655.db2.gz UYVMSNKOFMNGDX-WWMYMODYSA-N 1 2 348.450 3.618 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000808760636 1135728846 /nfs/dbraw/zinc/72/88/46/1135728846.db2.gz BNWPFGIFUQRQBL-INIZCTEOSA-N 1 2 348.878 3.788 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000808760636 1135728849 /nfs/dbraw/zinc/72/88/49/1135728849.db2.gz BNWPFGIFUQRQBL-INIZCTEOSA-N 1 2 348.878 3.788 20 0 EHADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000808733310 1135731976 /nfs/dbraw/zinc/73/19/76/1135731976.db2.gz PHMAVADUNOUDGM-MRXNPFEDSA-N 1 2 329.362 3.694 20 0 EHADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000808733310 1135731981 /nfs/dbraw/zinc/73/19/81/1135731981.db2.gz PHMAVADUNOUDGM-MRXNPFEDSA-N 1 2 329.362 3.694 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000747529914 1135746857 /nfs/dbraw/zinc/74/68/57/1135746857.db2.gz FVWXQWGUCVSQSI-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000747529914 1135746860 /nfs/dbraw/zinc/74/68/60/1135746860.db2.gz FVWXQWGUCVSQSI-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081392197 1135750729 /nfs/dbraw/zinc/75/07/29/1135750729.db2.gz IKMZFFGMRBCORR-CQSZACIVSA-N 1 2 325.437 3.637 20 0 EHADLO CC(C)Oc1ccc(-c2ccccc2C(=O)NCCn2cc[nH+]c2)cc1 ZINC001197956172 1135757716 /nfs/dbraw/zinc/75/77/16/1135757716.db2.gz PEHZKFIGFDUOKA-UHFFFAOYSA-N 1 2 349.434 3.767 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)cc1 ZINC000338907897 1135827486 /nfs/dbraw/zinc/82/74/86/1135827486.db2.gz MRBIBZPOZLKRPC-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)cc1 ZINC000338907897 1135827491 /nfs/dbraw/zinc/82/74/91/1135827491.db2.gz MRBIBZPOZLKRPC-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1cc2cccc(C(=O)N(C)Cc3ccc(-n4cc[nH+]c4)cc3)c2[nH]1 ZINC001198560125 1135830483 /nfs/dbraw/zinc/83/04/83/1135830483.db2.gz JWJUQLXWCLEEFL-UHFFFAOYSA-N 1 2 344.418 3.934 20 0 EHADLO Clc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000809570851 1135852023 /nfs/dbraw/zinc/85/20/23/1135852023.db2.gz CHMRPFNNBAWFRP-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO CN(C)c1ccc(NC(=S)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001198717169 1135852819 /nfs/dbraw/zinc/85/28/19/1135852819.db2.gz BBGGCKLNCJVBPU-UHFFFAOYSA-N 1 2 337.452 3.747 20 0 EHADLO Oc1ccc2c(c1)CC[N@@H+](Cc1coc(-c3ccc(F)c(F)c3)n1)C2 ZINC001198830429 1135857925 /nfs/dbraw/zinc/85/79/25/1135857925.db2.gz UBVSRLPTEPHCMW-UHFFFAOYSA-N 1 2 342.345 3.884 20 0 EHADLO Oc1ccc2c(c1)CC[N@H+](Cc1coc(-c3ccc(F)c(F)c3)n1)C2 ZINC001198830429 1135857927 /nfs/dbraw/zinc/85/79/27/1135857927.db2.gz UBVSRLPTEPHCMW-UHFFFAOYSA-N 1 2 342.345 3.884 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)n1 ZINC001198800301 1135858202 /nfs/dbraw/zinc/85/82/02/1135858202.db2.gz JZFQYUTTYSJORG-KRWDZBQOSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)n1 ZINC001198800301 1135858203 /nfs/dbraw/zinc/85/82/03/1135858203.db2.gz JZFQYUTTYSJORG-KRWDZBQOSA-N 1 2 343.471 3.606 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809587696 1135858551 /nfs/dbraw/zinc/85/85/51/1135858551.db2.gz RAGDPXSHEYFUGM-UHFFFAOYSA-N 1 2 330.259 3.888 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809587696 1135858553 /nfs/dbraw/zinc/85/85/53/1135858553.db2.gz RAGDPXSHEYFUGM-UHFFFAOYSA-N 1 2 330.259 3.888 20 0 EHADLO Cn1ccc2cccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)c21 ZINC001199016598 1135871861 /nfs/dbraw/zinc/87/18/61/1135871861.db2.gz AZVGHMSUXVPHBR-UHFFFAOYSA-N 1 2 330.391 3.675 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]Cc3ccnc(OC)c3)cs2)cc1 ZINC001199144296 1135882800 /nfs/dbraw/zinc/88/28/00/1135882800.db2.gz PXZYYRYIRVHGBE-UHFFFAOYSA-N 1 2 341.436 3.512 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810024373 1135911211 /nfs/dbraw/zinc/91/12/11/1135911211.db2.gz HFHXYNOWALKCJH-HKUYNNGSSA-N 1 2 344.499 3.812 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810024373 1135911213 /nfs/dbraw/zinc/91/12/13/1135911213.db2.gz HFHXYNOWALKCJH-HKUYNNGSSA-N 1 2 344.499 3.812 20 0 EHADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)c1 ZINC000810121411 1135928902 /nfs/dbraw/zinc/92/89/02/1135928902.db2.gz KYNMIVPRQRXJIL-GFCCVEGCSA-N 1 2 344.768 3.706 20 0 EHADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)c1 ZINC000810121411 1135928903 /nfs/dbraw/zinc/92/89/03/1135928903.db2.gz KYNMIVPRQRXJIL-GFCCVEGCSA-N 1 2 344.768 3.706 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000810188000 1135935474 /nfs/dbraw/zinc/93/54/74/1135935474.db2.gz PHYGDQBFTPYODS-UHFFFAOYSA-N 1 2 330.775 3.583 20 0 EHADLO S=C(Nc1ccc(C[NH+]2CCOCC2)cc1)NC1CCCCCC1 ZINC001199968826 1135941613 /nfs/dbraw/zinc/94/16/13/1135941613.db2.gz SEKFBOPTYKWDQS-UHFFFAOYSA-N 1 2 347.528 3.528 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2cc[nH]c21 ZINC000776063938 1135946814 /nfs/dbraw/zinc/94/68/14/1135946814.db2.gz ZZFSAIXCLMZGRP-OAHLLOKOSA-N 1 2 325.416 3.601 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1CCc2c1cccc2Cl ZINC000776097359 1135956027 /nfs/dbraw/zinc/95/60/27/1135956027.db2.gz MOZLCMPZDDFFPY-HNNXBMFYSA-N 1 2 326.783 3.761 20 0 EHADLO C[C@@H]1CCC[C@@H](COC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810655653 1135986416 /nfs/dbraw/zinc/98/64/16/1135986416.db2.gz VPZQSRBLJPWMAQ-SJLPKXTDSA-N 1 2 326.440 3.843 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1nc2ccccc2cc1Cl ZINC000810633846 1135987465 /nfs/dbraw/zinc/98/74/65/1135987465.db2.gz AUJIZYQUSNYCHQ-UHFFFAOYSA-N 1 2 337.766 3.893 20 0 EHADLO CC[C@H](C)Oc1cc(CNc2ccc(N(C)C)c[nH+]2)ccc1OC ZINC001201180400 1135992729 /nfs/dbraw/zinc/99/27/29/1135992729.db2.gz VKCRZMAYSASMQZ-AWEZNQCLSA-N 1 2 329.444 3.946 20 0 EHADLO CCc1[nH+]ccc(C)c1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC001201239591 1135997883 /nfs/dbraw/zinc/99/78/83/1135997883.db2.gz MMMLIYHLKDOVIR-UHFFFAOYSA-N 1 2 347.484 3.773 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2cccc(Br)c2)n1 ZINC001201279994 1136000545 /nfs/dbraw/zinc/00/05/45/1136000545.db2.gz WXRCVKSOUJFCCB-UHFFFAOYSA-N 1 2 344.216 3.664 20 0 EHADLO CCOC(=O)c1ccc(C(F)(F)F)cc1Nc1ccc(N)[nH+]c1 ZINC001201285199 1136001120 /nfs/dbraw/zinc/00/11/20/1136001120.db2.gz CIDWRWFSZWRNAV-UHFFFAOYSA-N 1 2 325.290 3.603 20 0 EHADLO CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201286943 1136001138 /nfs/dbraw/zinc/00/11/38/1136001138.db2.gz JFJHEYDTNNONGX-UHFFFAOYSA-N 1 2 332.407 3.680 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccc(Br)c(F)c3)no2)c[nH+]1 ZINC001201272481 1136002473 /nfs/dbraw/zinc/00/24/73/1136002473.db2.gz OUSIJVLCADSNNP-UHFFFAOYSA-N 1 2 349.163 3.964 20 0 EHADLO Cc1nn(-c2ccccc2)c(Nc2ccc(N)[nH+]c2)c1Br ZINC001201275351 1136003275 /nfs/dbraw/zinc/00/32/75/1136003275.db2.gz CFOFCRVXOKMCDL-UHFFFAOYSA-N 1 2 344.216 3.664 20 0 EHADLO COc1ccc(Nc2ccc(N)[nH+]c2)cc1NC(=O)OC(C)(C)C ZINC001201300411 1136004625 /nfs/dbraw/zinc/00/46/25/1136004625.db2.gz QBGMDOGLKPJYGZ-UHFFFAOYSA-N 1 2 330.388 3.763 20 0 EHADLO Cc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(F)c1F ZINC001137969816 1136005112 /nfs/dbraw/zinc/00/51/12/1136005112.db2.gz JKLOLQWYBGZRNS-HNNXBMFYSA-N 1 2 337.332 3.799 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCCCC(F)(F)F ZINC000810804072 1136005947 /nfs/dbraw/zinc/00/59/47/1136005947.db2.gz FEFBAWVAXWBLNT-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO CC(C)Oc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)ccc1Cl ZINC001201383570 1136014548 /nfs/dbraw/zinc/01/45/48/1136014548.db2.gz QRQQEQYKPFKRKF-HNNXBMFYSA-N 1 2 347.846 3.837 20 0 EHADLO Cc1nc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@@H]3C)cs1 ZINC001201435823 1136024629 /nfs/dbraw/zinc/02/46/29/1136024629.db2.gz XFFFVUHBKWQXOE-CYBMUJFWSA-N 1 2 348.516 3.788 20 0 EHADLO Cc1nc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@@H]3C)cs1 ZINC001201435823 1136024633 /nfs/dbraw/zinc/02/46/33/1136024633.db2.gz XFFFVUHBKWQXOE-CYBMUJFWSA-N 1 2 348.516 3.788 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(F)cc1OCC(F)(F)F ZINC001201529449 1136038691 /nfs/dbraw/zinc/03/86/91/1136038691.db2.gz NTWFIZOJJUVRRV-UHFFFAOYSA-N 1 2 331.313 3.985 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132621150 1136046470 /nfs/dbraw/zinc/04/64/70/1136046470.db2.gz CGQHAMCLRPCQRI-MGPUTAFESA-N 1 2 338.451 3.780 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132621150 1136046473 /nfs/dbraw/zinc/04/64/73/1136046473.db2.gz CGQHAMCLRPCQRI-MGPUTAFESA-N 1 2 338.451 3.780 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cs1 ZINC001201822543 1136067756 /nfs/dbraw/zinc/06/77/56/1136067756.db2.gz LAURJDGLTUDGMP-CYBMUJFWSA-N 1 2 343.496 3.855 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCCC1CCCC1 ZINC000811326862 1136074616 /nfs/dbraw/zinc/07/46/16/1136074616.db2.gz VEYOEBHBOPQJKK-UHFFFAOYSA-N 1 2 326.440 3.988 20 0 EHADLO Cc1cccc(C)c1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811328626 1136074796 /nfs/dbraw/zinc/07/47/96/1136074796.db2.gz QWJOOIPQMXRGFP-UHFFFAOYSA-N 1 2 334.419 3.834 20 0 EHADLO C[NH+](C)[C@H](CNCc1ccnc(Cl)c1Cl)c1cccc(F)c1 ZINC000811471583 1136095360 /nfs/dbraw/zinc/09/53/60/1136095360.db2.gz GKLCWKGPXPHYRW-CQSZACIVSA-N 1 2 342.245 3.920 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000776255361 1136112119 /nfs/dbraw/zinc/11/21/19/1136112119.db2.gz VKFFPHJTSALASJ-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+]Cc1ncccc1F ZINC001202258831 1136115675 /nfs/dbraw/zinc/11/56/75/1136115675.db2.gz IXSDYCUNFAWGNK-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCCCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811748953 1136129335 /nfs/dbraw/zinc/12/93/35/1136129335.db2.gz PSMMJZYEKCYGKQ-KRWDZBQOSA-N 1 2 325.456 3.749 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCCCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811748953 1136129336 /nfs/dbraw/zinc/12/93/36/1136129336.db2.gz PSMMJZYEKCYGKQ-KRWDZBQOSA-N 1 2 325.456 3.749 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000106599777 1136132576 /nfs/dbraw/zinc/13/25/76/1136132576.db2.gz SAQGQBUTHXZMDG-UHFFFAOYSA-N 1 2 343.789 3.773 20 0 EHADLO CC1(C)C(=O)N(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)[C@@H]1C1CC1 ZINC000811736597 1136132763 /nfs/dbraw/zinc/13/27/63/1136132763.db2.gz YKHCAYXLLHMXCU-QGZVFWFLSA-N 1 2 332.875 3.909 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)[C@@H]1C1CC1 ZINC000811736597 1136132766 /nfs/dbraw/zinc/13/27/66/1136132766.db2.gz YKHCAYXLLHMXCU-QGZVFWFLSA-N 1 2 332.875 3.909 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@@H]3CCC(C)(C)C3)c(=O)cc2C)cc1 ZINC000811772640 1136133434 /nfs/dbraw/zinc/13/34/34/1136133434.db2.gz YXYABJDLDKBUNB-GOSISDBHSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@@H]3CCC(C)(C)C3)c(=O)cc2C)cc1 ZINC000811772640 1136133435 /nfs/dbraw/zinc/13/34/35/1136133435.db2.gz YXYABJDLDKBUNB-GOSISDBHSA-N 1 2 339.483 3.995 20 0 EHADLO CCC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000338914577 1136160382 /nfs/dbraw/zinc/16/03/82/1136160382.db2.gz UYSLXFNZFDHPTC-UHFFFAOYSA-N 1 2 335.444 3.512 20 0 EHADLO CCC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000338914577 1136160386 /nfs/dbraw/zinc/16/03/86/1136160386.db2.gz UYSLXFNZFDHPTC-UHFFFAOYSA-N 1 2 335.444 3.512 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C[C@@H]2CCC[C@@H](C)C2)OC)c1C ZINC000812017741 1136164508 /nfs/dbraw/zinc/16/45/08/1136164508.db2.gz JYXLQFFILBQCKP-CZUORRHYSA-N 1 2 349.475 3.606 20 0 EHADLO CCc1oc(C[N@H+](Cc2ccccc2OC)C2CC2)cc1C(=O)OC ZINC000338921597 1136172178 /nfs/dbraw/zinc/17/21/78/1136172178.db2.gz QPMOFYBEZQCMGM-UHFFFAOYSA-N 1 2 343.423 3.802 20 0 EHADLO CCc1oc(C[N@@H+](Cc2ccccc2OC)C2CC2)cc1C(=O)OC ZINC000338921597 1136172182 /nfs/dbraw/zinc/17/21/82/1136172182.db2.gz QPMOFYBEZQCMGM-UHFFFAOYSA-N 1 2 343.423 3.802 20 0 EHADLO CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000812421721 1136205318 /nfs/dbraw/zinc/20/53/18/1136205318.db2.gz MJZBSTDWUBSKSO-SJORKVTESA-N 1 2 341.455 3.761 20 0 EHADLO COCCOc1ccc(C(F)(F)F)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000850201759 1136219192 /nfs/dbraw/zinc/21/91/92/1136219192.db2.gz UHWVBEYAYOZEMY-UHFFFAOYSA-N 1 2 343.349 3.683 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cscc1Br ZINC000850355616 1136240190 /nfs/dbraw/zinc/24/01/90/1136240190.db2.gz JYZRJNVCNXNBAV-UHFFFAOYSA-N 1 2 342.258 3.818 20 0 EHADLO O[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2Br)c2ccccc21 ZINC000850374277 1136244526 /nfs/dbraw/zinc/24/45/26/1136244526.db2.gz LHCQMLUGLGOHMX-HOTGVXAUSA-N 1 2 336.204 3.856 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835680 1136257069 /nfs/dbraw/zinc/25/70/69/1136257069.db2.gz UNEMGKITJYVTJJ-MRXNPFEDSA-N 1 2 340.414 3.700 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835680 1136257071 /nfs/dbraw/zinc/25/70/71/1136257071.db2.gz UNEMGKITJYVTJJ-MRXNPFEDSA-N 1 2 340.414 3.700 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850474253 1136266152 /nfs/dbraw/zinc/26/61/52/1136266152.db2.gz KTTIRHFWRWDBGZ-VXGBXAGGSA-N 1 2 346.452 3.667 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1nc(Br)cs1 ZINC000850526353 1136277969 /nfs/dbraw/zinc/27/79/69/1136277969.db2.gz PXRYYRFOJHWPMX-AXTRIDKLSA-N 1 2 339.258 3.735 20 0 EHADLO COC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc(Cl)c1F ZINC000850527751 1136278409 /nfs/dbraw/zinc/27/84/09/1136278409.db2.gz YMOAHCAVPDNABV-ULQDDVLXSA-N 1 2 335.806 3.935 20 0 EHADLO COC[C@H](C)[C@@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000813098196 1136287790 /nfs/dbraw/zinc/28/77/90/1136287790.db2.gz NKMHCMKDOWQVJX-LSDHHAIUSA-N 1 2 342.439 3.710 20 0 EHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000850571885 1136289054 /nfs/dbraw/zinc/28/90/54/1136289054.db2.gz DJEWKAXDQXDGSP-LBPRGKRZSA-N 1 2 326.387 3.975 20 0 EHADLO CCCc1cnc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000776488495 1136300071 /nfs/dbraw/zinc/30/00/71/1136300071.db2.gz USLQOIHINHQWLE-ZDUSSCGKSA-N 1 2 335.477 3.529 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(CF)cc2)[nH+]1 ZINC000850840560 1136310624 /nfs/dbraw/zinc/31/06/24/1136310624.db2.gz XIHFCSOUUDCTAT-UHFFFAOYSA-N 1 2 331.387 3.666 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001133682197 1136311943 /nfs/dbraw/zinc/31/19/43/1136311943.db2.gz OLLKQJTXJAWXOJ-UHFFFAOYSA-N 1 2 340.354 3.684 20 0 EHADLO CC(C)c1cc(NC(=O)c2cccc3[nH+]ccn32)n(-c2ccccc2)n1 ZINC000813275966 1136313216 /nfs/dbraw/zinc/31/32/16/1136313216.db2.gz FJZZINZORVWZMD-UHFFFAOYSA-N 1 2 345.406 3.896 20 0 EHADLO Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000747859004 1136348592 /nfs/dbraw/zinc/34/85/92/1136348592.db2.gz NVUYQDRJSKOMJO-RAXLEYEMSA-N 1 2 339.420 3.798 20 0 EHADLO O=C(/C=C/c1cccs1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398333 1136376316 /nfs/dbraw/zinc/37/63/16/1136376316.db2.gz SQQWBTUVZZMAHN-VOTSOKGWSA-N 1 2 328.437 3.616 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@H](F)c1ccccc1 ZINC000851399732 1136377111 /nfs/dbraw/zinc/37/71/11/1136377111.db2.gz FWSPUJMXSLGZJO-GOSISDBHSA-N 1 2 328.387 3.552 20 0 EHADLO O=C(OC[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814049630 1136393918 /nfs/dbraw/zinc/39/39/18/1136393918.db2.gz DIGNTIYYWYBOCC-PMACEKPBSA-N 1 2 348.402 3.949 20 0 EHADLO CCN1CC[C@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1=O ZINC001170731459 1136412918 /nfs/dbraw/zinc/41/29/18/1136412918.db2.gz DXOLOVLTYZDGNA-HNNXBMFYSA-N 1 2 341.282 3.794 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000110261200 1136414672 /nfs/dbraw/zinc/41/46/72/1136414672.db2.gz ONALSRDRUFRKNJ-KRWDZBQOSA-N 1 2 344.480 3.894 20 0 EHADLO COc1ccccc1-c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814181170 1136418022 /nfs/dbraw/zinc/41/80/22/1136418022.db2.gz XBWHZYWKUNHFEM-GOSISDBHSA-N 1 2 339.435 3.888 20 0 EHADLO COc1ccccc1-c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814181170 1136418023 /nfs/dbraw/zinc/41/80/23/1136418023.db2.gz XBWHZYWKUNHFEM-GOSISDBHSA-N 1 2 339.435 3.888 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)c(C)o1 ZINC000852051495 1136430030 /nfs/dbraw/zinc/43/00/30/1136430030.db2.gz JFNFTIGJYJZTKB-QGZVFWFLSA-N 1 2 349.475 3.705 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)c(C)o1 ZINC000852051495 1136430031 /nfs/dbraw/zinc/43/00/31/1136430031.db2.gz JFNFTIGJYJZTKB-QGZVFWFLSA-N 1 2 349.475 3.705 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)C[C@@H](O)c1ccccc1Br ZINC000852149745 1136436507 /nfs/dbraw/zinc/43/65/07/1136436507.db2.gz LZEBWHWREIPUPD-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)C[C@@H](O)c1ccccc1Br ZINC000852149745 1136436510 /nfs/dbraw/zinc/43/65/10/1136436510.db2.gz LZEBWHWREIPUPD-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748967 1136458994 /nfs/dbraw/zinc/45/89/94/1136458994.db2.gz BMYFAIJFQSWVTB-QXRTWZOPSA-N 1 2 329.488 3.621 20 0 EHADLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748967 1136458997 /nfs/dbraw/zinc/45/89/97/1136458997.db2.gz BMYFAIJFQSWVTB-QXRTWZOPSA-N 1 2 329.488 3.621 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)s1 ZINC000852604017 1136469792 /nfs/dbraw/zinc/46/97/92/1136469792.db2.gz NVZZXJJMXLOWLW-OCCSQVGLSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)s1 ZINC000852604017 1136469794 /nfs/dbraw/zinc/46/97/94/1136469794.db2.gz NVZZXJJMXLOWLW-OCCSQVGLSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1cc(N2CCN(Cc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000338949452 1136472664 /nfs/dbraw/zinc/47/26/64/1136472664.db2.gz TTYPCJZTLAYCOB-UHFFFAOYSA-N 1 2 346.425 3.509 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1cc(CC)ccc1F)C[NH2+]C2(C)C ZINC001170760795 1136496604 /nfs/dbraw/zinc/49/66/04/1136496604.db2.gz JMZKUUYYULVDDI-UHFFFAOYSA-N 1 2 346.406 3.671 20 0 EHADLO O[C@H](C[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067013 1136505237 /nfs/dbraw/zinc/50/52/37/1136505237.db2.gz MXBRCCXXIXTIMC-QZTJIDSGSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@H](C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1)c1cc(F)ccc1F ZINC000853067013 1136505241 /nfs/dbraw/zinc/50/52/41/1136505241.db2.gz MXBRCCXXIXTIMC-QZTJIDSGSA-N 1 2 330.378 3.620 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000111278628 1136528737 /nfs/dbraw/zinc/52/87/37/1136528737.db2.gz MMIWQDYMBMLWDR-IUHVXIRESA-N 1 2 347.405 3.849 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000111278628 1136528739 /nfs/dbraw/zinc/52/87/39/1136528739.db2.gz MMIWQDYMBMLWDR-IUHVXIRESA-N 1 2 347.405 3.849 20 0 EHADLO Cc1nc(C2([NH2+]C[C@H](O)c3cccc4ccccc43)CCCC2)no1 ZINC000815054774 1136540864 /nfs/dbraw/zinc/54/08/64/1136540864.db2.gz MFWDVDWTCBHOGD-SFHVURJKSA-N 1 2 337.423 3.624 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853553961 1136543946 /nfs/dbraw/zinc/54/39/46/1136543946.db2.gz IEIPQDYNUSSMFC-QGZVFWFLSA-N 1 2 325.456 3.565 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853553961 1136543949 /nfs/dbraw/zinc/54/39/49/1136543949.db2.gz IEIPQDYNUSSMFC-QGZVFWFLSA-N 1 2 325.456 3.565 20 0 EHADLO c1ccc(CCc2nnc3n2CC[N@H+]([C@H]2C=CCCCCC2)C3)cc1 ZINC000815071887 1136546685 /nfs/dbraw/zinc/54/66/85/1136546685.db2.gz YHXZUHOHICAZRV-IBGZPJMESA-N 1 2 336.483 3.768 20 0 EHADLO c1ccc(CCc2nnc3n2CC[N@@H+]([C@H]2C=CCCCCC2)C3)cc1 ZINC000815071887 1136546688 /nfs/dbraw/zinc/54/66/88/1136546688.db2.gz YHXZUHOHICAZRV-IBGZPJMESA-N 1 2 336.483 3.768 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853610742 1136548750 /nfs/dbraw/zinc/54/87/50/1136548750.db2.gz UGVBNMKTQCPTCQ-SFHVURJKSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853610742 1136548752 /nfs/dbraw/zinc/54/87/52/1136548752.db2.gz UGVBNMKTQCPTCQ-SFHVURJKSA-N 1 2 339.483 3.955 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+](C)CC3=CCSC3)c2=S)cc1 ZINC000853618965 1136549473 /nfs/dbraw/zinc/54/94/73/1136549473.db2.gz RQVHWIOFNGHPDB-UHFFFAOYSA-N 1 2 347.509 3.579 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+](C)CC3=CCSC3)c2=S)cc1 ZINC000853618965 1136549476 /nfs/dbraw/zinc/54/94/76/1136549476.db2.gz RQVHWIOFNGHPDB-UHFFFAOYSA-N 1 2 347.509 3.579 20 0 EHADLO Cc1cc2ncn(C[N@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)c2cc1C ZINC000853614807 1136549484 /nfs/dbraw/zinc/54/94/84/1136549484.db2.gz MYCSPHHZPDZQNE-KGLIPLIRSA-N 1 2 341.377 3.652 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)c2cc1C ZINC000853614807 1136549486 /nfs/dbraw/zinc/54/94/86/1136549486.db2.gz MYCSPHHZPDZQNE-KGLIPLIRSA-N 1 2 341.377 3.652 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)C[C@H]2CC2(C)C)nc1-c1ccncc1 ZINC000853626934 1136550427 /nfs/dbraw/zinc/55/04/27/1136550427.db2.gz KHSOBIKSHXNTFN-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)C[C@H]2CC2(C)C)nc1-c1ccncc1 ZINC000853626934 1136550429 /nfs/dbraw/zinc/55/04/29/1136550429.db2.gz KHSOBIKSHXNTFN-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO Cc1cc(C)cc(Oc2ccc(C[NH2+]Cc3cnn(C)n3)cc2C)c1 ZINC000815121570 1136552489 /nfs/dbraw/zinc/55/24/89/1136552489.db2.gz WEKFYCSDCXJBOW-UHFFFAOYSA-N 1 2 336.439 3.822 20 0 EHADLO CO[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000815098326 1136555476 /nfs/dbraw/zinc/55/54/76/1136555476.db2.gz FLABATYFFIKDNL-IRXDYDNUSA-N 1 2 327.428 3.837 20 0 EHADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000815150138 1136557255 /nfs/dbraw/zinc/55/72/55/1136557255.db2.gz PCECMJNJRSNCIC-LBPRGKRZSA-N 1 2 326.375 3.728 20 0 EHADLO Cc1ccccc1-n1nccc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152276 1136558179 /nfs/dbraw/zinc/55/81/79/1136558179.db2.gz KTGBIWWMTLPISL-UHFFFAOYSA-N 1 2 331.341 3.888 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000815133372 1136560097 /nfs/dbraw/zinc/56/00/97/1136560097.db2.gz WYLZBQVMHDFGBL-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO CC(C)[C@@H](F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000854106684 1136588435 /nfs/dbraw/zinc/58/84/35/1136588435.db2.gz AMEDIWDFBGJVBI-CWRNSKLLSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)[C@@H](F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000854106684 1136588438 /nfs/dbraw/zinc/58/84/38/1136588438.db2.gz AMEDIWDFBGJVBI-CWRNSKLLSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000815568343 1136611625 /nfs/dbraw/zinc/61/16/25/1136611625.db2.gz DKHVMQHWDJDZJX-UAGQMJEPSA-N 1 2 327.476 3.731 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC000815716444 1136632119 /nfs/dbraw/zinc/63/21/19/1136632119.db2.gz XIJDJDAXZUXKQZ-UHFFFAOYSA-N 1 2 346.368 3.600 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC000815716444 1136632123 /nfs/dbraw/zinc/63/21/23/1136632123.db2.gz XIJDJDAXZUXKQZ-UHFFFAOYSA-N 1 2 346.368 3.600 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001135221322 1136638714 /nfs/dbraw/zinc/63/87/14/1136638714.db2.gz RBGOBSYWKKLWPL-IKGGRYGDSA-N 1 2 329.488 3.780 20 0 EHADLO O=C(NCCc1ccc(Cl)cc1Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001135315758 1136661178 /nfs/dbraw/zinc/66/11/78/1136661178.db2.gz IVMNPDPYJGXHJT-UHFFFAOYSA-N 1 2 334.206 3.842 20 0 EHADLO COC[C@H]1CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000112960583 1136665327 /nfs/dbraw/zinc/66/53/27/1136665327.db2.gz JNTCEZVMGAHLMC-LBPRGKRZSA-N 1 2 341.427 3.883 20 0 EHADLO COC[C@H]1CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000112960583 1136665328 /nfs/dbraw/zinc/66/53/28/1136665328.db2.gz JNTCEZVMGAHLMC-LBPRGKRZSA-N 1 2 341.427 3.883 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c[nH]1 ZINC000338967904 1136674979 /nfs/dbraw/zinc/67/49/79/1136674979.db2.gz JXTWKWVREQXSBH-KRWDZBQOSA-N 1 2 336.794 3.525 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c[nH]1 ZINC000338967904 1136674980 /nfs/dbraw/zinc/67/49/80/1136674980.db2.gz JXTWKWVREQXSBH-KRWDZBQOSA-N 1 2 336.794 3.525 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000113246391 1136688645 /nfs/dbraw/zinc/68/86/45/1136688645.db2.gz DRMIDEAAQRJEAU-SFHVURJKSA-N 1 2 330.501 3.754 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000113246391 1136688647 /nfs/dbraw/zinc/68/86/47/1136688647.db2.gz DRMIDEAAQRJEAU-SFHVURJKSA-N 1 2 330.501 3.754 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc2[nH+]ccn21 ZINC000776833319 1136726995 /nfs/dbraw/zinc/72/69/95/1136726995.db2.gz RFEHIDXHPBCDBB-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH+]1CC2(C1)CCOC2 ZINC000816671223 1136748051 /nfs/dbraw/zinc/74/80/51/1136748051.db2.gz RFRCHRSPDSVDGM-UHFFFAOYSA-N 1 2 345.874 3.673 20 0 EHADLO CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)c2cccc(Cl)c21 ZINC000776863371 1136748424 /nfs/dbraw/zinc/74/84/24/1136748424.db2.gz PUQYFBGFFGSDFP-UHFFFAOYSA-N 1 2 325.799 3.926 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001135665896 1136748484 /nfs/dbraw/zinc/74/84/84/1136748484.db2.gz NXIZBDAQLKBMNX-UHFFFAOYSA-N 1 2 346.515 3.720 20 0 EHADLO CC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2c(c1)OCO2 ZINC000338986036 1136752580 /nfs/dbraw/zinc/75/25/80/1136752580.db2.gz OUVYGHZRQJGJLU-UHFFFAOYSA-N 1 2 335.407 3.623 20 0 EHADLO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2c(c1)OCO2 ZINC000338986036 1136752583 /nfs/dbraw/zinc/75/25/83/1136752583.db2.gz OUVYGHZRQJGJLU-UHFFFAOYSA-N 1 2 335.407 3.623 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1Cl ZINC001138029065 1136777165 /nfs/dbraw/zinc/77/71/65/1136777165.db2.gz DRPQTRNHAHWUFD-UHFFFAOYSA-N 1 2 340.870 3.868 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1Cl ZINC001138029065 1136777169 /nfs/dbraw/zinc/77/71/69/1136777169.db2.gz DRPQTRNHAHWUFD-UHFFFAOYSA-N 1 2 340.870 3.868 20 0 EHADLO CCc1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157565 1136782695 /nfs/dbraw/zinc/78/26/95/1136782695.db2.gz JPHPCJOENCGGRA-GJZGRUSLSA-N 1 2 348.384 3.649 20 0 EHADLO CCc1ccc([C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157565 1136782701 /nfs/dbraw/zinc/78/27/01/1136782701.db2.gz JPHPCJOENCGGRA-GJZGRUSLSA-N 1 2 348.384 3.649 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000817289382 1136791510 /nfs/dbraw/zinc/79/15/10/1136791510.db2.gz YASYXEFOESSFOY-MNOVXSKESA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000817289382 1136791513 /nfs/dbraw/zinc/79/15/13/1136791513.db2.gz YASYXEFOESSFOY-MNOVXSKESA-N 1 2 330.881 3.596 20 0 EHADLO CC[C@H](O)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817378531 1136801436 /nfs/dbraw/zinc/80/14/36/1136801436.db2.gz KJWPDEKLQSTVHQ-NRFANRHFSA-N 1 2 341.451 3.541 20 0 EHADLO CC1CCC(=CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000114637145 1136815021 /nfs/dbraw/zinc/81/50/21/1136815021.db2.gz VEDINSODBNVETC-UHFFFAOYSA-N 1 2 328.456 3.594 20 0 EHADLO CSc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001135948208 1136823927 /nfs/dbraw/zinc/82/39/27/1136823927.db2.gz JUOUMNQNFFIHCD-UHFFFAOYSA-N 1 2 325.393 3.552 20 0 EHADLO CO[C@H]1C[C@H]2C[C@H]([NH2+]c3ccc(N4CCO[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000818337298 1136871398 /nfs/dbraw/zinc/87/13/98/1136871398.db2.gz IWNKWVQHCRYVSS-AVFIKVKVSA-N 1 2 330.472 3.527 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136162126 1136888932 /nfs/dbraw/zinc/88/89/32/1136888932.db2.gz GUOHTEOWLCPUGJ-UHFFFAOYSA-N 1 2 344.374 3.621 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC001136185544 1136911486 /nfs/dbraw/zinc/91/14/86/1136911486.db2.gz CYRMZSGCNFIPDK-UHFFFAOYSA-N 1 2 338.754 3.919 20 0 EHADLO O=C(Nc1ccc(-c2ccccc2)cc1F)[C@H]1CCc2c[nH+]cn2C1 ZINC001136195236 1136919359 /nfs/dbraw/zinc/91/93/59/1136919359.db2.gz LFKUCZLQTUGYRU-INIZCTEOSA-N 1 2 335.382 3.890 20 0 EHADLO O=C(CCCn1ccc2cc(Cl)ccc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979526 1136926761 /nfs/dbraw/zinc/92/67/61/1136926761.db2.gz COHFFKDTGFTZHF-OAHLLOKOSA-N 1 2 342.830 3.533 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000857976331 1136927021 /nfs/dbraw/zinc/92/70/21/1136927021.db2.gz BHUWLYLLESRJEB-MISXGVKJSA-N 1 2 336.222 3.555 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857986452 1136927460 /nfs/dbraw/zinc/92/74/60/1136927460.db2.gz VLKNVDPXLGYWRX-BMGYJQCNSA-N 1 2 335.329 3.566 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987312 1136927465 /nfs/dbraw/zinc/92/74/65/1136927465.db2.gz TZGSYSRHKSOCGF-KOTGUFOOSA-N 1 2 335.329 3.566 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984574 1136927565 /nfs/dbraw/zinc/92/75/65/1136927565.db2.gz CEOXDHPFMYRKIN-SMDDNHRTSA-N 1 2 337.345 3.657 20 0 EHADLO O=C(CSc1cc(Cl)ccc1Cl)N[C@H]1CCn2c[nH+]cc21 ZINC000857989415 1136927920 /nfs/dbraw/zinc/92/79/20/1136927920.db2.gz HHXRECDIJGNCNS-NSHDSACASA-N 1 2 342.251 3.543 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)n1 ZINC000858043767 1136935099 /nfs/dbraw/zinc/93/50/99/1136935099.db2.gz XXWAVRMJDOQSSL-GOSISDBHSA-N 1 2 328.460 3.601 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)n1 ZINC000858043767 1136935100 /nfs/dbraw/zinc/93/51/00/1136935100.db2.gz XXWAVRMJDOQSSL-GOSISDBHSA-N 1 2 328.460 3.601 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)COCc1ccccc1Cl ZINC000819408241 1136936846 /nfs/dbraw/zinc/93/68/46/1136936846.db2.gz BZBDIUXOSKZCHE-QGZVFWFLSA-N 1 2 348.874 3.704 20 0 EHADLO C/C=C/C[C@H]1CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000858166729 1136945822 /nfs/dbraw/zinc/94/58/22/1136945822.db2.gz YXXWQJMLZJLCDE-JFDDCEBESA-N 1 2 331.460 3.595 20 0 EHADLO Cn1c[nH+]c2ccc(NC3(C(=O)OCc4ccccc4)CCC3)cc21 ZINC001170938576 1136961884 /nfs/dbraw/zinc/96/18/84/1136961884.db2.gz FPIKXETVCXRBMH-UHFFFAOYSA-N 1 2 335.407 3.651 20 0 EHADLO CCc1cc(Br)ccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000777032057 1136975525 /nfs/dbraw/zinc/97/55/25/1136975525.db2.gz SXEWOMMNEMRHBO-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC000858525443 1136976422 /nfs/dbraw/zinc/97/64/22/1136976422.db2.gz XDBICIWNFQEJAQ-IYBDPMFKSA-N 1 2 339.439 3.538 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC1CCCCCCC1 ZINC001136330192 1136988623 /nfs/dbraw/zinc/98/86/23/1136988623.db2.gz DCYWCMDGCJLXGP-UHFFFAOYSA-N 1 2 325.456 3.892 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)OCc2cccc(Cl)c2)c1C ZINC000858928811 1136997419 /nfs/dbraw/zinc/99/74/19/1136997419.db2.gz YPTRDKUEUAVTBN-UHFFFAOYSA-N 1 2 334.803 3.787 20 0 EHADLO CC(C)(C)Cc1ncc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC001136394123 1137010923 /nfs/dbraw/zinc/01/09/23/1137010923.db2.gz GLAIGFYXTFVZTI-AWEZNQCLSA-N 1 2 348.516 3.773 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC2([C@@H](O)c3ccccc3)CC2)c(C)[nH+]1 ZINC000821439108 1137027429 /nfs/dbraw/zinc/02/74/29/1137027429.db2.gz AMFRLGGVGBYYCL-SFHVURJKSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001136504742 1137039452 /nfs/dbraw/zinc/03/94/52/1137039452.db2.gz MUWKZXYMESSHDS-MRXNPFEDSA-N 1 2 340.442 3.526 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000860042578 1137041435 /nfs/dbraw/zinc/04/14/35/1137041435.db2.gz HEAAWSFLSVQCNQ-BBZUXEQDSA-N 1 2 347.509 3.789 20 0 EHADLO C[C@@H](C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093569 1137044009 /nfs/dbraw/zinc/04/40/09/1137044009.db2.gz DREXSVKFEVKFIL-STQMWFEESA-N 1 2 339.480 3.878 20 0 EHADLO C[C@@H](C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093569 1137044011 /nfs/dbraw/zinc/04/40/11/1137044011.db2.gz DREXSVKFEVKFIL-STQMWFEESA-N 1 2 339.480 3.878 20 0 EHADLO O[C@@H](C[N@@H+]1CCOc2cc(F)ccc2C1)c1ccc(F)cc1Cl ZINC000860173496 1137047900 /nfs/dbraw/zinc/04/79/00/1137047900.db2.gz YVHNHEJQKSLPGI-INIZCTEOSA-N 1 2 339.769 3.546 20 0 EHADLO O[C@@H](C[N@H+]1CCOc2cc(F)ccc2C1)c1ccc(F)cc1Cl ZINC000860173496 1137047901 /nfs/dbraw/zinc/04/79/01/1137047901.db2.gz YVHNHEJQKSLPGI-INIZCTEOSA-N 1 2 339.769 3.546 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCCC2(CCCC2)C1 ZINC000822301507 1137055981 /nfs/dbraw/zinc/05/59/81/1137055981.db2.gz UNAUPQSEVHQSQA-CYBMUJFWSA-N 1 2 329.366 3.559 20 0 EHADLO CCc1nc2ccccc2c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC001136581020 1137056603 /nfs/dbraw/zinc/05/66/03/1137056603.db2.gz IWVXDECVKVOZAB-HNNXBMFYSA-N 1 2 348.450 3.849 20 0 EHADLO Cc1ccc2cccc(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)c2n1 ZINC001136601161 1137066899 /nfs/dbraw/zinc/06/68/99/1137066899.db2.gz OOFJDLOBDJTPAR-UHFFFAOYSA-N 1 2 342.402 3.910 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1csc(C2CC2)n1 ZINC000822597237 1137067238 /nfs/dbraw/zinc/06/72/38/1137067238.db2.gz KJEYJHZLDNGGTQ-UHFFFAOYSA-N 1 2 338.436 3.900 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccc2c1CCCCC2 ZINC001136646546 1137079534 /nfs/dbraw/zinc/07/95/34/1137079534.db2.gz DKTKYGINPINBMH-UHFFFAOYSA-N 1 2 337.467 3.973 20 0 EHADLO CC(C)(C)c1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)no1 ZINC000266024778 1137096063 /nfs/dbraw/zinc/09/60/63/1137096063.db2.gz CFZMCONYDZATSX-UHFFFAOYSA-N 1 2 348.472 3.667 20 0 EHADLO O=C1[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CCCN1c1ccccc1 ZINC001171019869 1137101872 /nfs/dbraw/zinc/10/18/72/1137101872.db2.gz YBCRIWXPICYSQO-SFHVURJKSA-N 1 2 326.827 3.851 20 0 EHADLO O=C1[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)CCCN1c1ccccc1 ZINC001171019869 1137101873 /nfs/dbraw/zinc/10/18/73/1137101873.db2.gz YBCRIWXPICYSQO-SFHVURJKSA-N 1 2 326.827 3.851 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000861348944 1137102479 /nfs/dbraw/zinc/10/24/79/1137102479.db2.gz GYZLQJILABDUII-OAHLLOKOSA-N 1 2 338.455 3.523 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC000861352312 1137102506 /nfs/dbraw/zinc/10/25/06/1137102506.db2.gz YBTGMMJTRPKITA-AWEZNQCLSA-N 1 2 349.837 3.551 20 0 EHADLO COc1ccccc1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001136729232 1137102516 /nfs/dbraw/zinc/10/25/16/1137102516.db2.gz VOVWSAGVPZIULS-MGPUTAFESA-N 1 2 349.434 3.503 20 0 EHADLO COc1ccccc1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001136729232 1137102517 /nfs/dbraw/zinc/10/25/17/1137102517.db2.gz VOVWSAGVPZIULS-MGPUTAFESA-N 1 2 349.434 3.503 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1csc(C2CCCCC2)c1 ZINC000823634566 1137106192 /nfs/dbraw/zinc/10/61/92/1137106192.db2.gz KNXHOLTWDFWFSP-HNNXBMFYSA-N 1 2 329.469 3.737 20 0 EHADLO O=C(/C=C\[C@@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823769394 1137113216 /nfs/dbraw/zinc/11/32/16/1137113216.db2.gz ASZXWSCHSFKXTI-SNGWPZLWSA-N 1 2 337.423 3.560 20 0 EHADLO CC[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770543 1137113391 /nfs/dbraw/zinc/11/33/91/1137113391.db2.gz YVMWNOANTAXHLM-AEFFLSMTSA-N 1 2 339.439 3.640 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccccc2Oc2ccc(C)cc2)n1 ZINC000823807715 1137115381 /nfs/dbraw/zinc/11/53/81/1137115381.db2.gz JPSYRQLVSDYOQN-UHFFFAOYSA-N 1 2 336.439 3.997 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861655098 1137117267 /nfs/dbraw/zinc/11/72/67/1137117267.db2.gz CYCHXSTVEJWEKY-SNVBAGLBSA-N 1 2 344.362 3.705 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+]Cc1nn(CC)nc1C ZINC000823990647 1137121494 /nfs/dbraw/zinc/12/14/94/1137121494.db2.gz OBXCWEXTCNKXLA-UHFFFAOYSA-N 1 2 330.476 3.774 20 0 EHADLO COC(=O)c1[nH+]ccc(NCCc2ccccc2C(F)(F)F)c1C ZINC001171041498 1137122254 /nfs/dbraw/zinc/12/22/54/1137122254.db2.gz UEDQFEATDJGIBA-UHFFFAOYSA-N 1 2 338.329 3.850 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCC[C@@H]1CC1(Cl)Cl)n1cc[nH+]c1 ZINC000824245728 1137130080 /nfs/dbraw/zinc/13/00/80/1137130080.db2.gz DZYYDBPRUJBMHG-OLZOCXBDSA-N 1 2 332.275 3.561 20 0 EHADLO Cn1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)c(Br)n1 ZINC000862211832 1137132452 /nfs/dbraw/zinc/13/24/52/1137132452.db2.gz CBBPNMZGQDPRPU-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1cc(C[N@@H+](C)[C@H]2CCCc3ccccc32)c(Br)n1 ZINC000862211832 1137132453 /nfs/dbraw/zinc/13/24/53/1137132453.db2.gz CBBPNMZGQDPRPU-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(Br)n1 ZINC000862221309 1137133043 /nfs/dbraw/zinc/13/30/43/1137133043.db2.gz YEINTIYUQGNOGC-CQSZACIVSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(Br)n1 ZINC000862221309 1137133044 /nfs/dbraw/zinc/13/30/44/1137133044.db2.gz YEINTIYUQGNOGC-CQSZACIVSA-N 1 2 338.224 3.659 20 0 EHADLO Fc1ccc2c(c1)CCN2C1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000824344166 1137133519 /nfs/dbraw/zinc/13/35/19/1137133519.db2.gz DJYHTSDSWGLHJJ-UHFFFAOYSA-N 1 2 347.384 3.526 20 0 EHADLO Cc1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)n1 ZINC000862250972 1137135333 /nfs/dbraw/zinc/13/53/33/1137135333.db2.gz SKLWXNKEKNARSF-FQEVSTJZSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1c[nH]c(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)n1 ZINC000862250972 1137135334 /nfs/dbraw/zinc/13/53/34/1137135334.db2.gz SKLWXNKEKNARSF-FQEVSTJZSA-N 1 2 335.451 3.762 20 0 EHADLO CC(=O)c1ccc([C@H](C)Nc2cc(C3(C)OCCO3)cc[nH+]2)cc1 ZINC001171054642 1137136665 /nfs/dbraw/zinc/13/66/65/1137136665.db2.gz VSTKGGXGJGIDSX-ZDUSSCGKSA-N 1 2 326.396 3.677 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171058889 1137142231 /nfs/dbraw/zinc/14/22/31/1137142231.db2.gz MEVZIANWVLDZTB-GFCCVEGCSA-N 1 2 330.255 3.782 20 0 EHADLO Cc1[nH]c(CN2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)[nH+]c1C ZINC000862420198 1137143398 /nfs/dbraw/zinc/14/33/98/1137143398.db2.gz MAAQXQDNOPOWNL-UHFFFAOYSA-N 1 2 349.482 3.797 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@@H+]1Cc2ccc(O)cc2C1)C(C)(C)C ZINC000862450274 1137145493 /nfs/dbraw/zinc/14/54/93/1137145493.db2.gz PVVPMMXMNHXOCZ-UHFFFAOYSA-N 1 2 334.460 3.743 20 0 EHADLO CC(C)(C)OC(=O)N(CC[N@H+]1Cc2ccc(O)cc2C1)C(C)(C)C ZINC000862450274 1137145494 /nfs/dbraw/zinc/14/54/94/1137145494.db2.gz PVVPMMXMNHXOCZ-UHFFFAOYSA-N 1 2 334.460 3.743 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2ccccc2s1 ZINC001136958599 1137156994 /nfs/dbraw/zinc/15/69/94/1137156994.db2.gz WTGGOQPDAIWYGB-OLZOCXBDSA-N 1 2 347.484 3.784 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1nc2ccccc2s1 ZINC001136958599 1137156996 /nfs/dbraw/zinc/15/69/96/1137156996.db2.gz WTGGOQPDAIWYGB-OLZOCXBDSA-N 1 2 347.484 3.784 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000014308900 1137160648 /nfs/dbraw/zinc/16/06/48/1137160648.db2.gz PCSVNRSUQSPDCQ-INIZCTEOSA-N 1 2 339.468 3.672 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000014308900 1137160650 /nfs/dbraw/zinc/16/06/50/1137160650.db2.gz PCSVNRSUQSPDCQ-INIZCTEOSA-N 1 2 339.468 3.672 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)o1 ZINC000825079680 1137164794 /nfs/dbraw/zinc/16/47/94/1137164794.db2.gz ZYVXWECDNHHDQL-UHFFFAOYSA-N 1 2 344.846 3.733 20 0 EHADLO O=C(Nc1ccccc1SC(F)(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000825138697 1137167085 /nfs/dbraw/zinc/16/70/85/1137167085.db2.gz TYCMSQCEXFXWNP-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001136997708 1137168499 /nfs/dbraw/zinc/16/84/99/1137168499.db2.gz KYPBXYPMYAIHSN-SJLPKXTDSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001136997708 1137168500 /nfs/dbraw/zinc/16/85/00/1137168500.db2.gz KYPBXYPMYAIHSN-SJLPKXTDSA-N 1 2 344.842 3.861 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnc([C@@H](C)O)s2)c2ccco2)cc1 ZINC000825316899 1137172573 /nfs/dbraw/zinc/17/25/73/1137172573.db2.gz XYAWFBIORITQOC-PXAZEXFGSA-N 1 2 344.436 3.677 20 0 EHADLO CC(C)C[C@H](C(=O)N1C[C@H](C)CN(C)c2ccccc21)n1cc[nH+]c1 ZINC001137022493 1137173617 /nfs/dbraw/zinc/17/36/17/1137173617.db2.gz GZEUKLMNOFXQOB-VQIMIIECSA-N 1 2 340.471 3.589 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863255712 1137178148 /nfs/dbraw/zinc/17/81/48/1137178148.db2.gz XELDVBGTNCLDIS-BRWVUGGUSA-N 1 2 337.467 3.775 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1Cl ZINC001143369297 1137183070 /nfs/dbraw/zinc/18/30/70/1137183070.db2.gz OLHKYVSGVMOSIF-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1Cl ZINC001143369297 1137183071 /nfs/dbraw/zinc/18/30/71/1137183071.db2.gz OLHKYVSGVMOSIF-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627097 1137184018 /nfs/dbraw/zinc/18/40/18/1137184018.db2.gz AHNHQBZGXRENMV-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627097 1137184019 /nfs/dbraw/zinc/18/40/19/1137184019.db2.gz AHNHQBZGXRENMV-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627098 1137184029 /nfs/dbraw/zinc/18/40/29/1137184029.db2.gz AHNHQBZGXRENMV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627098 1137184030 /nfs/dbraw/zinc/18/40/30/1137184030.db2.gz AHNHQBZGXRENMV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC001143671046 1137187878 /nfs/dbraw/zinc/18/78/78/1137187878.db2.gz VYHHAPALLCGBGQ-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC001143671046 1137187880 /nfs/dbraw/zinc/18/78/80/1137187880.db2.gz VYHHAPALLCGBGQ-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1F ZINC001143698686 1137190709 /nfs/dbraw/zinc/19/07/09/1137190709.db2.gz KHMIQPQECDVXPK-NEPJUHHUSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1F ZINC001143698686 1137190710 /nfs/dbraw/zinc/19/07/10/1137190710.db2.gz KHMIQPQECDVXPK-NEPJUHHUSA-N 1 2 341.732 3.533 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000339057807 1137192305 /nfs/dbraw/zinc/19/23/05/1137192305.db2.gz JNOLZDVHNBYKPR-UHFFFAOYSA-N 1 2 342.462 3.624 20 0 EHADLO CCC1(O)CC[NH+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704852 1137192437 /nfs/dbraw/zinc/19/24/37/1137192437.db2.gz WXWDUPKWHUTWPB-UHFFFAOYSA-N 1 2 337.769 3.976 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143853847 1137206360 /nfs/dbraw/zinc/20/63/60/1137206360.db2.gz IVKQFLYFFZVBMI-HZMBPMFUSA-N 1 2 331.815 3.507 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143853847 1137206362 /nfs/dbraw/zinc/20/63/62/1137206362.db2.gz IVKQFLYFFZVBMI-HZMBPMFUSA-N 1 2 331.815 3.507 20 0 EHADLO Fc1ccc(Cl)c(Cl)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001143866927 1137206478 /nfs/dbraw/zinc/20/64/78/1137206478.db2.gz QEJFDINDGKKWCB-UHFFFAOYSA-N 1 2 329.206 3.561 20 0 EHADLO OC[C@H]1CCC[N@@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143880644 1137209271 /nfs/dbraw/zinc/20/92/71/1137209271.db2.gz YFARLHXDNSVXFP-MRVPVSSYSA-N 1 2 328.161 3.969 20 0 EHADLO OC[C@H]1CCC[N@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143880644 1137209272 /nfs/dbraw/zinc/20/92/72/1137209272.db2.gz YFARLHXDNSVXFP-MRVPVSSYSA-N 1 2 328.161 3.969 20 0 EHADLO Cc1cc(C[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)o1 ZINC000119724992 1137208880 /nfs/dbraw/zinc/20/88/80/1137208880.db2.gz FOSWAOCRSFYPIM-MRXNPFEDSA-N 1 2 326.400 3.828 20 0 EHADLO OC[C@@H]1CC[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143888480 1137210532 /nfs/dbraw/zinc/21/05/32/1137210532.db2.gz ISHLWTVMDCLKPG-MRVPVSSYSA-N 1 2 328.161 3.826 20 0 EHADLO OC[C@@H]1CC[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143888480 1137210534 /nfs/dbraw/zinc/21/05/34/1137210534.db2.gz ISHLWTVMDCLKPG-MRVPVSSYSA-N 1 2 328.161 3.826 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1F ZINC001143899151 1137211004 /nfs/dbraw/zinc/21/10/04/1137211004.db2.gz MWNHPOURLQVPFE-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1F ZINC001143899151 1137211005 /nfs/dbraw/zinc/21/10/05/1137211005.db2.gz MWNHPOURLQVPFE-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3cc4n(n3)CCCC4)CC2)cn1 ZINC000844318948 1137212305 /nfs/dbraw/zinc/21/23/05/1137212305.db2.gz YCEODAZZOJMIEO-UHFFFAOYSA-N 1 2 328.847 3.557 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3cc4n(n3)CCCC4)CC2)cn1 ZINC000844318948 1137212306 /nfs/dbraw/zinc/21/23/06/1137212306.db2.gz YCEODAZZOJMIEO-UHFFFAOYSA-N 1 2 328.847 3.557 20 0 EHADLO C[C@@H](CC(=O)OCc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000844392472 1137216643 /nfs/dbraw/zinc/21/66/43/1137216643.db2.gz IZDXILBFTCUYGA-JTQLQIEISA-N 1 2 344.745 3.832 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C2(CCC2)CO1 ZINC000844422338 1137219679 /nfs/dbraw/zinc/21/96/79/1137219679.db2.gz NGNISBFGXSUHSE-GFCCVEGCSA-N 1 2 327.346 3.575 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C2(CCC2)CO1 ZINC000844422338 1137219680 /nfs/dbraw/zinc/21/96/80/1137219680.db2.gz NGNISBFGXSUHSE-GFCCVEGCSA-N 1 2 327.346 3.575 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000794669733 1137222864 /nfs/dbraw/zinc/22/28/64/1137222864.db2.gz TXTMTZIGZLVKOI-LERXQTSPSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000794669733 1137222865 /nfs/dbraw/zinc/22/28/65/1137222865.db2.gz TXTMTZIGZLVKOI-LERXQTSPSA-N 1 2 346.780 3.844 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439192 1137222973 /nfs/dbraw/zinc/22/29/73/1137222973.db2.gz OMHJSMASCQUTOO-MEBBXXQBSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439192 1137222974 /nfs/dbraw/zinc/22/29/74/1137222974.db2.gz OMHJSMASCQUTOO-MEBBXXQBSA-N 1 2 346.780 3.927 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCc2occc2C1 ZINC001144005632 1137225118 /nfs/dbraw/zinc/22/51/18/1137225118.db2.gz YDKOFCSBWMRKOO-UHFFFAOYSA-N 1 2 327.302 3.745 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCc2occc2C1 ZINC001144005632 1137225120 /nfs/dbraw/zinc/22/51/20/1137225120.db2.gz YDKOFCSBWMRKOO-UHFFFAOYSA-N 1 2 327.302 3.745 20 0 EHADLO Cc1c(O)cccc1C[NH+]1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001144118065 1137240406 /nfs/dbraw/zinc/24/04/06/1137240406.db2.gz OAPVAXUWIRZUEC-UHFFFAOYSA-N 1 2 346.471 3.676 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1F ZINC001144130171 1137244318 /nfs/dbraw/zinc/24/43/18/1137244318.db2.gz ZVHOLBJZQCMFQC-UHFFFAOYSA-N 1 2 343.757 3.777 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1F ZINC001144130171 1137244320 /nfs/dbraw/zinc/24/43/20/1137244320.db2.gz ZVHOLBJZQCMFQC-UHFFFAOYSA-N 1 2 343.757 3.777 20 0 EHADLO CCc1cc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)cc(CC)c1O ZINC001144150662 1137245185 /nfs/dbraw/zinc/24/51/85/1137245185.db2.gz IZQCEQXTJINSSF-UHFFFAOYSA-N 1 2 339.435 3.819 20 0 EHADLO CCc1cc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)cc(CC)c1O ZINC001144150662 1137245187 /nfs/dbraw/zinc/24/51/87/1137245187.db2.gz IZQCEQXTJINSSF-UHFFFAOYSA-N 1 2 339.435 3.819 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CCc2ccc(F)cc21 ZINC000844759365 1137250185 /nfs/dbraw/zinc/25/01/85/1137250185.db2.gz LROVANPQFVIXSS-GFCCVEGCSA-N 1 2 346.475 3.587 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CCc2ccc(F)cc21 ZINC000844759365 1137250187 /nfs/dbraw/zinc/25/01/87/1137250187.db2.gz LROVANPQFVIXSS-GFCCVEGCSA-N 1 2 346.475 3.587 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC001144221805 1137254900 /nfs/dbraw/zinc/25/49/00/1137254900.db2.gz FXODMFSDNADZOH-LBPRGKRZSA-N 1 2 342.277 3.920 20 0 EHADLO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC001144221805 1137254902 /nfs/dbraw/zinc/25/49/02/1137254902.db2.gz FXODMFSDNADZOH-LBPRGKRZSA-N 1 2 342.277 3.920 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066723 1137261184 /nfs/dbraw/zinc/26/11/84/1137261184.db2.gz FYDORGJKLFRTDY-OAQYLSRUSA-N 1 2 339.483 3.952 20 0 EHADLO C[C@@H](c1nc(C2(c3cccc(OC(F)(F)F)c3)CC2)no1)[NH+](C)C ZINC000844877257 1137262274 /nfs/dbraw/zinc/26/22/74/1137262274.db2.gz IZYAMFCRSSUXBI-JTQLQIEISA-N 1 2 341.333 3.671 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140226 1137264784 /nfs/dbraw/zinc/26/47/84/1137264784.db2.gz DRSWHCMELPXCBA-GOSISDBHSA-N 1 2 333.435 3.902 20 0 EHADLO CC/C=C(/F)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000865159843 1137265994 /nfs/dbraw/zinc/26/59/94/1137265994.db2.gz RYQSNTZVHCIREW-MKMNVTDBSA-N 1 2 341.390 3.525 20 0 EHADLO CC(C)(C)c1cn(CC(=O)Nc2ccccc2Br)c[nH+]1 ZINC000865374265 1137278578 /nfs/dbraw/zinc/27/85/78/1137278578.db2.gz AAIYASVEMPFHIE-UHFFFAOYSA-N 1 2 336.233 3.582 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)sc1C ZINC001144369515 1137279761 /nfs/dbraw/zinc/27/97/61/1137279761.db2.gz KLTGPPHIUKWWQP-DZKIICNBSA-N 1 2 336.501 3.702 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)sc1C ZINC001144369515 1137279762 /nfs/dbraw/zinc/27/97/62/1137279762.db2.gz KLTGPPHIUKWWQP-DZKIICNBSA-N 1 2 336.501 3.702 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1Br ZINC000865409875 1137280782 /nfs/dbraw/zinc/28/07/82/1137280782.db2.gz YAIBZXZMZHXEMH-LLVKDONJSA-N 1 2 349.228 3.732 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3ccncc3c2)n1 ZINC000845265499 1137282878 /nfs/dbraw/zinc/28/28/78/1137282878.db2.gz BAIYUQRYGMZDQB-UHFFFAOYSA-N 1 2 340.452 3.785 20 0 EHADLO C[C@@H](CC(=O)OCc1csc(-c2ccsc2)n1)n1cc[nH+]c1 ZINC000845281628 1137283245 /nfs/dbraw/zinc/28/32/45/1137283245.db2.gz MJKIYDWRRWUXQX-NSHDSACASA-N 1 2 333.438 3.763 20 0 EHADLO CCCn1cc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000865444720 1137284424 /nfs/dbraw/zinc/28/44/24/1137284424.db2.gz XWCQZQRUTOJZFS-UHFFFAOYSA-N 1 2 325.243 3.774 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1OC ZINC000865462756 1137286009 /nfs/dbraw/zinc/28/60/09/1137286009.db2.gz AELKGNXDJCKREA-JTQLQIEISA-N 1 2 346.358 3.541 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]Cc2cccnc2Br)sc1C ZINC000865472157 1137286949 /nfs/dbraw/zinc/28/69/49/1137286949.db2.gz YCYLOHIWISRYPJ-UHFFFAOYSA-N 1 2 340.290 3.942 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)n2C)c1 ZINC000845434897 1137291907 /nfs/dbraw/zinc/29/19/07/1137291907.db2.gz VGFOGXFKVDXSMJ-GOSISDBHSA-N 1 2 348.450 3.674 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)n2C)c1 ZINC000845434900 1137291916 /nfs/dbraw/zinc/29/19/16/1137291916.db2.gz VGFOGXFKVDXSMJ-SFHVURJKSA-N 1 2 348.450 3.674 20 0 EHADLO C[C@@H](Cc1ccc(Cl)s1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845495737 1137295032 /nfs/dbraw/zinc/29/50/32/1137295032.db2.gz QQTQUSACEMVOTQ-NSHDSACASA-N 1 2 338.860 3.651 20 0 EHADLO C[C@](CO)([NH2+]Cc1cn(C2CC2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000865593331 1137297303 /nfs/dbraw/zinc/29/73/03/1137297303.db2.gz HZRIOQGVAWUEQJ-MRXNPFEDSA-N 1 2 340.254 3.522 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cn(C2CC2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000865593327 1137297443 /nfs/dbraw/zinc/29/74/43/1137297443.db2.gz HZRIOQGVAWUEQJ-INIZCTEOSA-N 1 2 340.254 3.522 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(OC(C)(C)C)c2)s1 ZINC000865609294 1137298329 /nfs/dbraw/zinc/29/83/29/1137298329.db2.gz KPJFPSSUUXPBKJ-GFCCVEGCSA-N 1 2 348.468 3.958 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCCc2ccc(F)cc21 ZINC000845553632 1137298983 /nfs/dbraw/zinc/29/89/83/1137298983.db2.gz VMZYMQHIPJHDAC-KRWDZBQOSA-N 1 2 328.387 3.522 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Oc1ccc(C2CC2)cc1Cl ZINC000845583609 1137299751 /nfs/dbraw/zinc/29/97/51/1137299751.db2.gz PQEHMLMIWMRDHR-UHFFFAOYSA-N 1 2 330.815 3.898 20 0 EHADLO C[C@H](C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000845612328 1137302652 /nfs/dbraw/zinc/30/26/52/1137302652.db2.gz USOHCGXMAHNTLH-ZDUSSCGKSA-N 1 2 330.815 3.518 20 0 EHADLO FC1(F)[C@H]2CN(c3[nH+]ccc4cc(Br)ccc43)C[C@H]21 ZINC000845756058 1137308912 /nfs/dbraw/zinc/30/89/12/1137308912.db2.gz IRKCIXUUYCLEKC-TXEJJXNPSA-N 1 2 325.156 3.699 20 0 EHADLO C[C@@H](O)c1ncc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)s1 ZINC000865790119 1137312143 /nfs/dbraw/zinc/31/21/43/1137312143.db2.gz JOFFCAMXHWWLLY-MRVPVSSYSA-N 1 2 348.802 3.741 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(F)cc1Br ZINC001144591324 1137313810 /nfs/dbraw/zinc/31/38/10/1137313810.db2.gz VVTUASVLAXQKTQ-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)c(F)cc1Br ZINC001144591324 1137313811 /nfs/dbraw/zinc/31/38/11/1137313811.db2.gz VVTUASVLAXQKTQ-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC001144610348 1137316970 /nfs/dbraw/zinc/31/69/70/1137316970.db2.gz VIHAUBFEGHZESH-LBPRGKRZSA-N 1 2 347.256 3.800 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC001144610348 1137316973 /nfs/dbraw/zinc/31/69/73/1137316973.db2.gz VIHAUBFEGHZESH-LBPRGKRZSA-N 1 2 347.256 3.800 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000120770690 1137317085 /nfs/dbraw/zinc/31/70/85/1137317085.db2.gz YILNFMPGOJUWNX-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000120770690 1137317087 /nfs/dbraw/zinc/31/70/87/1137317087.db2.gz YILNFMPGOJUWNX-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000865865046 1137317760 /nfs/dbraw/zinc/31/77/60/1137317760.db2.gz VYHKZSOTFDGPRS-UGKGYDQZSA-N 1 2 349.478 3.571 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000845902048 1137319097 /nfs/dbraw/zinc/31/90/97/1137319097.db2.gz KDKUXYVODVUQMC-SFHVURJKSA-N 1 2 336.391 3.536 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2cnccc2o1 ZINC000845902048 1137319099 /nfs/dbraw/zinc/31/90/99/1137319099.db2.gz KDKUXYVODVUQMC-SFHVURJKSA-N 1 2 336.391 3.536 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866002411 1137324080 /nfs/dbraw/zinc/32/40/80/1137324080.db2.gz WKYKCVOKFVIRAY-YLJYHZDGSA-N 1 2 327.472 3.540 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000794891275 1137328035 /nfs/dbraw/zinc/32/80/35/1137328035.db2.gz DWBVUWVOYGVIEG-LJQANCHMSA-N 1 2 342.439 3.823 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000794891275 1137328037 /nfs/dbraw/zinc/32/80/37/1137328037.db2.gz DWBVUWVOYGVIEG-LJQANCHMSA-N 1 2 342.439 3.823 20 0 EHADLO CN(CC[N@H+](C)Cc1cc(F)c(F)cc1Cl)C(=O)OC(C)(C)C ZINC001144722274 1137338919 /nfs/dbraw/zinc/33/89/19/1137338919.db2.gz SLPRZRVFRBRHSZ-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO CN(CC[N@@H+](C)Cc1cc(F)c(F)cc1Cl)C(=O)OC(C)(C)C ZINC001144722274 1137338920 /nfs/dbraw/zinc/33/89/20/1137338920.db2.gz SLPRZRVFRBRHSZ-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO CN(Cc1ccc2cc[nH]c2c1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000866270461 1137341272 /nfs/dbraw/zinc/34/12/72/1137341272.db2.gz OOTDGGJZXNOYNT-UHFFFAOYSA-N 1 2 334.427 3.699 20 0 EHADLO C[C@@H](CCc1cccnc1)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000866334147 1137346438 /nfs/dbraw/zinc/34/64/38/1137346438.db2.gz TZGSXJBHKAVWTN-DLBZAZTESA-N 1 2 325.456 3.740 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866419416 1137353062 /nfs/dbraw/zinc/35/30/62/1137353062.db2.gz BWWAHCSVFGKSRZ-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866419416 1137353064 /nfs/dbraw/zinc/35/30/64/1137353064.db2.gz BWWAHCSVFGKSRZ-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)c(Cl)c1Cl ZINC001144855159 1137354537 /nfs/dbraw/zinc/35/45/37/1137354537.db2.gz MMJIKFRJZWNKKV-ZETCQYMHSA-N 1 2 332.618 3.790 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3cccc4c3OCC4)CC2)cc1 ZINC000846751405 1137364541 /nfs/dbraw/zinc/36/45/41/1137364541.db2.gz SQMMNXWVNSEOMQ-UHFFFAOYSA-N 1 2 337.467 3.768 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846818071 1137369409 /nfs/dbraw/zinc/36/94/09/1137369409.db2.gz SFUJIORDIYBNHT-LBPRGKRZSA-N 1 2 342.842 3.818 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846818071 1137369410 /nfs/dbraw/zinc/36/94/10/1137369410.db2.gz SFUJIORDIYBNHT-LBPRGKRZSA-N 1 2 342.842 3.818 20 0 EHADLO Fc1cc(CNc2nnc(Cc3ccccc3)o2)ccc1-n1cc[nH+]c1 ZINC000794959969 1137380229 /nfs/dbraw/zinc/38/02/29/1137380229.db2.gz HFYWXBJAYYUQOE-UHFFFAOYSA-N 1 2 349.369 3.597 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000847022348 1137383104 /nfs/dbraw/zinc/38/31/04/1137383104.db2.gz XVPQXDFTRWKTFJ-RTYFKUQISA-N 1 2 339.439 3.622 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267371 1137386589 /nfs/dbraw/zinc/38/65/89/1137386589.db2.gz PIKBMSYFDGFKTA-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267371 1137386590 /nfs/dbraw/zinc/38/65/90/1137386590.db2.gz PIKBMSYFDGFKTA-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2nc(/C=C\c3ccccc3)cs2)CC1 ZINC001146399147 1137389877 /nfs/dbraw/zinc/38/98/77/1137389877.db2.gz NNRUZYJQCANUJA-FPLPWBNLSA-N 1 2 341.480 3.984 20 0 EHADLO CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001146709906 1137393423 /nfs/dbraw/zinc/39/34/23/1137393423.db2.gz LVOWWNHUNJODJH-OXJNMPFZSA-N 1 2 325.456 3.602 20 0 EHADLO CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001146709906 1137393425 /nfs/dbraw/zinc/39/34/25/1137393425.db2.gz LVOWWNHUNJODJH-OXJNMPFZSA-N 1 2 325.456 3.602 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)CC1=CCCCC1 ZINC001146734827 1137394103 /nfs/dbraw/zinc/39/41/03/1137394103.db2.gz OXOFVHXLWKNJDO-UHFFFAOYSA-N 1 2 340.427 3.667 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC[C@@H](C)C3)CC2)s1 ZINC001147256616 1137402794 /nfs/dbraw/zinc/40/27/94/1137402794.db2.gz DXCZMENGOYCGCO-CVEARBPZSA-N 1 2 334.529 3.781 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC001148283465 1137422154 /nfs/dbraw/zinc/42/21/54/1137422154.db2.gz GDGZYQSJCYBTMU-UHFFFAOYSA-N 1 2 341.370 3.818 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000044867021 1137422919 /nfs/dbraw/zinc/42/29/19/1137422919.db2.gz QYRDQSZPCLJCPB-BDAKNGLRSA-N 1 2 330.190 3.767 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000868939337 1137429966 /nfs/dbraw/zinc/42/99/66/1137429966.db2.gz RWFKSXVXVAKFLD-HLIPFELVSA-N 1 2 346.519 3.836 20 0 EHADLO Cc1c(C(=O)NCc2c[nH+]cn2C2CCC2)cccc1C(F)(F)F ZINC001148750787 1137434014 /nfs/dbraw/zinc/43/40/14/1137434014.db2.gz YNEKPADDPVIRDA-UHFFFAOYSA-N 1 2 337.345 3.865 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104437 1137437184 /nfs/dbraw/zinc/43/71/84/1137437184.db2.gz HWQFHMFIYFFAIH-XJKSGUPXSA-N 1 2 329.469 3.637 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104437 1137437185 /nfs/dbraw/zinc/43/71/85/1137437185.db2.gz HWQFHMFIYFFAIH-XJKSGUPXSA-N 1 2 329.469 3.637 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH+]cn2C)nc1-c1ccc(C)cc1 ZINC000339089727 1137438814 /nfs/dbraw/zinc/43/88/14/1137438814.db2.gz IBOGUIRLKAVVHR-UHFFFAOYSA-N 1 2 340.452 3.732 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](CC)Cc1ccncc1)c1ccccc1 ZINC000348103231 1137440826 /nfs/dbraw/zinc/44/08/26/1137440826.db2.gz AHEKAQWAZOSHKH-LJQANCHMSA-N 1 2 325.456 3.561 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccncc1)c1ccccc1 ZINC000348103231 1137440828 /nfs/dbraw/zinc/44/08/28/1137440828.db2.gz AHEKAQWAZOSHKH-LJQANCHMSA-N 1 2 325.456 3.561 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000348106190 1137441257 /nfs/dbraw/zinc/44/12/57/1137441257.db2.gz FVOZTUHSDJVRAT-KGLIPLIRSA-N 1 2 331.485 3.542 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)c1cscn1 ZINC000797022366 1137465985 /nfs/dbraw/zinc/46/59/85/1137465985.db2.gz PRYZBFPTAUHAQA-VIFPVBQESA-N 1 2 343.424 3.747 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000870125041 1137478091 /nfs/dbraw/zinc/47/80/91/1137478091.db2.gz UDEWTGXEDNJLGY-AWEZNQCLSA-N 1 2 330.453 3.521 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(=S)o1 ZINC000773265528 1137482564 /nfs/dbraw/zinc/48/25/64/1137482564.db2.gz SUAOFTSTAWSTKC-KBPBESRZSA-N 1 2 339.505 3.599 20 0 EHADLO CC(C)(C)c1nn(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(=S)o1 ZINC000773265528 1137482565 /nfs/dbraw/zinc/48/25/65/1137482565.db2.gz SUAOFTSTAWSTKC-KBPBESRZSA-N 1 2 339.505 3.599 20 0 EHADLO COc1cccc2[nH+]c(NC3CCN(c4cccnc4)CC3)ccc21 ZINC001171465745 1137489897 /nfs/dbraw/zinc/48/98/97/1137489897.db2.gz BOCYXOYHCSMHFR-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO COc1ccc2cc(NC3CCN(c4cccnc4)CC3)[nH+]cc2c1 ZINC001171466447 1137492336 /nfs/dbraw/zinc/49/23/36/1137492336.db2.gz NVQCZAWQFNWWGX-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO CCCCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001171542316 1137494164 /nfs/dbraw/zinc/49/41/64/1137494164.db2.gz YTJWIMHIXOAWDO-QGZVFWFLSA-N 1 2 332.488 3.643 20 0 EHADLO Fc1cccc([C@H]2C[C@H]2[NH+]2CCN(c3c(F)cccc3F)CC2)c1 ZINC001171521807 1137496289 /nfs/dbraw/zinc/49/62/89/1137496289.db2.gz HMOPVEAPLSSEKD-CRAIPNDOSA-N 1 2 332.369 3.782 20 0 EHADLO CSCC[C@H]([NH2+][C@H]1CCc2c(C)cccc2C1)C(=O)OC(C)(C)C ZINC001171552596 1137497437 /nfs/dbraw/zinc/49/74/37/1137497437.db2.gz BSPNAWFMAHHWJW-WMZOPIPTSA-N 1 2 349.540 3.905 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCOc3cccc(Br)c3C2)O1 ZINC001171567811 1137498553 /nfs/dbraw/zinc/49/85/53/1137498553.db2.gz PVXYTIBAZWTULV-GFCCVEGCSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCOc3cccc(Br)c3C2)O1 ZINC001171567811 1137498554 /nfs/dbraw/zinc/49/85/54/1137498554.db2.gz PVXYTIBAZWTULV-GFCCVEGCSA-N 1 2 340.261 3.601 20 0 EHADLO C[C@H]1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888458 1137517119 /nfs/dbraw/zinc/51/71/19/1137517119.db2.gz MRUJVLXJQJPWCD-RDJZCZTQSA-N 1 2 336.426 3.658 20 0 EHADLO C[C@H]1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888458 1137517121 /nfs/dbraw/zinc/51/71/21/1137517121.db2.gz MRUJVLXJQJPWCD-RDJZCZTQSA-N 1 2 336.426 3.658 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001171960272 1137519175 /nfs/dbraw/zinc/51/91/75/1137519175.db2.gz UNSNLIIYXBFTIO-DOMZBBRYSA-N 1 2 331.378 3.814 20 0 EHADLO CCCC[C@@H]([NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC001171960608 1137519378 /nfs/dbraw/zinc/51/93/78/1137519378.db2.gz DADSTELUEBKPBF-IUODEOHRSA-N 1 2 331.378 3.958 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172317338 1137546705 /nfs/dbraw/zinc/54/67/05/1137546705.db2.gz QCSPACVQOLAXEO-GRDNDAEWSA-N 1 2 341.879 3.607 20 0 EHADLO CCOCC[C@@H](C)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172424270 1137556446 /nfs/dbraw/zinc/55/64/46/1137556446.db2.gz CXWIKOWGNQDVGH-IAGOWNOFSA-N 1 2 349.519 3.782 20 0 EHADLO CCOCC[C@@H](C)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172424270 1137556447 /nfs/dbraw/zinc/55/64/47/1137556447.db2.gz CXWIKOWGNQDVGH-IAGOWNOFSA-N 1 2 349.519 3.782 20 0 EHADLO C[C@@H](OC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1)c1ccc(Cl)cc1 ZINC000871989547 1137564066 /nfs/dbraw/zinc/56/40/66/1137564066.db2.gz OKMGKPMCPZJBSO-CZUORRHYSA-N 1 2 336.863 3.973 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(O)c1F)O[C@@H](C)C2 ZINC000872020095 1137564991 /nfs/dbraw/zinc/56/49/91/1137564991.db2.gz CTHIDPNFZLTKLE-RYUDHWBXSA-N 1 2 331.387 3.714 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCOC4(CCCC4)C3)c[nH+]2)C[C@H](C)O1 ZINC000872059140 1137568750 /nfs/dbraw/zinc/56/87/50/1137568750.db2.gz FFRUQSGEBXJWHI-BBWFWOEESA-N 1 2 345.487 3.599 20 0 EHADLO CC(F)(F)C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872071969 1137569731 /nfs/dbraw/zinc/56/97/31/1137569731.db2.gz BBZHRAZZUKAIRI-DGCLKSJQSA-N 1 2 334.204 3.772 20 0 EHADLO CC[C@H](CC1CCCCC1)[NH2+]C(c1nccn1C)c1nccn1C ZINC000872087892 1137570604 /nfs/dbraw/zinc/57/06/04/1137570604.db2.gz LTQOUTFEMQBEEW-MRXNPFEDSA-N 1 2 329.492 3.582 20 0 EHADLO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)nc2C(F)(F)F)[C@@H]1O ZINC000872259999 1137576613 /nfs/dbraw/zinc/57/66/13/1137576613.db2.gz FZSPRSFOMVMXAI-GDLCADMTSA-N 1 2 348.796 3.735 20 0 EHADLO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)nc2C(F)(F)F)[C@@H]1O ZINC000872259999 1137576614 /nfs/dbraw/zinc/57/66/14/1137576614.db2.gz FZSPRSFOMVMXAI-GDLCADMTSA-N 1 2 348.796 3.735 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000124054309 1137578760 /nfs/dbraw/zinc/57/87/60/1137578760.db2.gz VZSCNKUJICTKCE-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1 ZINC000124054309 1137578761 /nfs/dbraw/zinc/57/87/61/1137578761.db2.gz VZSCNKUJICTKCE-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1OC ZINC000873175508 1137592495 /nfs/dbraw/zinc/59/24/95/1137592495.db2.gz KWOILOWAWDENTD-UHFFFAOYSA-N 1 2 344.455 3.887 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1nccnc1C ZINC000873188516 1137593322 /nfs/dbraw/zinc/59/33/22/1137593322.db2.gz JHEWZYOGCHRMQX-JTQLQIEISA-N 1 2 326.227 3.951 20 0 EHADLO CCn1ncc(NCc2c[nH+]c3c(C)cc(Br)cn23)c1C ZINC000873196236 1137593716 /nfs/dbraw/zinc/59/37/16/1137593716.db2.gz JTNKWNDOZMYABI-UHFFFAOYSA-N 1 2 348.248 3.542 20 0 EHADLO CC(C)(C)[C@H]1C[C@H](OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000873569790 1137602698 /nfs/dbraw/zinc/60/26/98/1137602698.db2.gz ABUYTLOCWYYQFB-QZTJIDSGSA-N 1 2 342.439 3.682 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)Cc2ccc(C)s2)c1C ZINC000124985696 1137613595 /nfs/dbraw/zinc/61/35/95/1137613595.db2.gz NWGSYPIRQFPHGH-LBPRGKRZSA-N 1 2 347.484 3.507 20 0 EHADLO CC(C)c1nsc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000874693935 1137621416 /nfs/dbraw/zinc/62/14/16/1137621416.db2.gz WQPNWLHGXZNAND-CYBMUJFWSA-N 1 2 341.440 3.545 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000125711229 1137641880 /nfs/dbraw/zinc/64/18/80/1137641880.db2.gz NPSXTFWJDPUTBI-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000125711229 1137641881 /nfs/dbraw/zinc/64/18/81/1137641881.db2.gz NPSXTFWJDPUTBI-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO CCCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000825849054 1137644837 /nfs/dbraw/zinc/64/48/37/1137644837.db2.gz CYBNHXXXJRUXIH-KURKYZTESA-N 1 2 325.456 3.961 20 0 EHADLO Clc1cnc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)s1 ZINC001137108340 1137655518 /nfs/dbraw/zinc/65/55/18/1137655518.db2.gz XQJDWOFZUJSKJE-UHFFFAOYSA-N 1 2 326.893 3.968 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+](C)[C@H](C)c3cccs3)nn2)cc1 ZINC000876589910 1137656347 /nfs/dbraw/zinc/65/63/47/1137656347.db2.gz QQKJQWWRCNQZRN-CQSZACIVSA-N 1 2 342.468 3.590 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+](C)[C@H](C)c3cccs3)nn2)cc1 ZINC000876589910 1137656348 /nfs/dbraw/zinc/65/63/48/1137656348.db2.gz QQKJQWWRCNQZRN-CQSZACIVSA-N 1 2 342.468 3.590 20 0 EHADLO Brc1ncccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000876595535 1137656690 /nfs/dbraw/zinc/65/66/90/1137656690.db2.gz CNDNBXQMADFZET-UHFFFAOYSA-N 1 2 347.256 3.888 20 0 EHADLO C[C@@]1(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)C[C@H]1c1ccccc1 ZINC000876666318 1137658640 /nfs/dbraw/zinc/65/86/40/1137658640.db2.gz HROLJJHPTSWMTD-QKLQHJQFSA-N 1 2 339.439 3.514 20 0 EHADLO C[C@@]1(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)C[C@H]1c1ccccc1 ZINC000876666318 1137658641 /nfs/dbraw/zinc/65/86/41/1137658641.db2.gz HROLJJHPTSWMTD-QKLQHJQFSA-N 1 2 339.439 3.514 20 0 EHADLO FC(F)(F)c1cccc(C2C[NH+](Cc3ccc(Cl)nn3)C2)c1 ZINC000877572899 1137681711 /nfs/dbraw/zinc/68/17/11/1137681711.db2.gz SVUKQVAAXYGZGC-UHFFFAOYSA-N 1 2 327.737 3.748 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@]2(CCO1)[NH2+]C(C)(C)C(=O)N2CC1CCCCC1 ZINC000877856984 1137693514 /nfs/dbraw/zinc/69/35/14/1137693514.db2.gz JLGPQDRHFPJTRH-JXFKEZNVSA-N 1 2 336.520 3.699 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H]2CCCC(C)(C)O2)o1 ZINC000877981674 1137698326 /nfs/dbraw/zinc/69/83/26/1137698326.db2.gz VFCARIOPFBKVAS-ZWKOTPCHSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H]2CCCC(C)(C)O2)o1 ZINC000877981674 1137698327 /nfs/dbraw/zinc/69/83/27/1137698327.db2.gz VFCARIOPFBKVAS-ZWKOTPCHSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878089788 1137701996 /nfs/dbraw/zinc/70/19/96/1137701996.db2.gz MZVRGOXBRIFGJQ-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878089788 1137701997 /nfs/dbraw/zinc/70/19/97/1137701997.db2.gz MZVRGOXBRIFGJQ-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccco3)C2)sc1Br ZINC000878092979 1137702105 /nfs/dbraw/zinc/70/21/05/1137702105.db2.gz CSXSARRQQGIVMA-JTQLQIEISA-N 1 2 327.247 3.797 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3ccco3)C2)sc1Br ZINC000878092979 1137702106 /nfs/dbraw/zinc/70/21/06/1137702106.db2.gz CSXSARRQQGIVMA-JTQLQIEISA-N 1 2 327.247 3.797 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC(C)(C)OCC2(C)C)co1 ZINC000878109901 1137702784 /nfs/dbraw/zinc/70/27/84/1137702784.db2.gz ZDEZGBOYAKPDSJ-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC(C)(C)OCC2(C)C)co1 ZINC000878109901 1137702785 /nfs/dbraw/zinc/70/27/85/1137702785.db2.gz ZDEZGBOYAKPDSJ-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(C(F)(F)F)co2)CC1 ZINC000878131321 1137703734 /nfs/dbraw/zinc/70/37/34/1137703734.db2.gz MFHPYVJQQNJINS-CYBMUJFWSA-N 1 2 339.361 3.572 20 0 EHADLO C[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@H](c2ccco2)C1 ZINC000878153591 1137704758 /nfs/dbraw/zinc/70/47/58/1137704758.db2.gz VQIRNOGINJFNIC-GJZGRUSLSA-N 1 2 327.490 3.656 20 0 EHADLO C[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@H](c2ccco2)C1 ZINC000878153591 1137704759 /nfs/dbraw/zinc/70/47/59/1137704759.db2.gz VQIRNOGINJFNIC-GJZGRUSLSA-N 1 2 327.490 3.656 20 0 EHADLO C[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000878153592 1137704877 /nfs/dbraw/zinc/70/48/77/1137704877.db2.gz VQIRNOGINJFNIC-HUUCEWRRSA-N 1 2 327.490 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000878153592 1137704878 /nfs/dbraw/zinc/70/48/78/1137704878.db2.gz VQIRNOGINJFNIC-HUUCEWRRSA-N 1 2 327.490 3.656 20 0 EHADLO CC[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000878354993 1137712286 /nfs/dbraw/zinc/71/22/86/1137712286.db2.gz DOLKJSAXBGXLJZ-AWEZNQCLSA-N 1 2 328.412 3.566 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)nc1Cl ZINC000878375049 1137713319 /nfs/dbraw/zinc/71/33/19/1137713319.db2.gz JPIVQRYPVKDUQM-HNNXBMFYSA-N 1 2 329.835 3.573 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)co1 ZINC000878394415 1137713980 /nfs/dbraw/zinc/71/39/80/1137713980.db2.gz VLDIYBROGIHODO-CYBMUJFWSA-N 1 2 338.354 3.554 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](OC(F)F)C2)co1 ZINC000878394415 1137713981 /nfs/dbraw/zinc/71/39/81/1137713981.db2.gz VLDIYBROGIHODO-CYBMUJFWSA-N 1 2 338.354 3.554 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C)cc1 ZINC000878613055 1137722198 /nfs/dbraw/zinc/72/21/98/1137722198.db2.gz DHDUYHDYBQMGTM-BLLLJJGKSA-N 1 2 333.382 3.736 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)sc1Br ZINC000878628676 1137722985 /nfs/dbraw/zinc/72/29/85/1137722985.db2.gz LUMUKUHPYJYGJS-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccncc3)C2)sc1Br ZINC000878628676 1137722986 /nfs/dbraw/zinc/72/29/86/1137722986.db2.gz LUMUKUHPYJYGJS-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CCCC1 ZINC000878696229 1137725472 /nfs/dbraw/zinc/72/54/72/1137725472.db2.gz VOORZBWNNNQQFK-HXUWFJFHSA-N 1 2 340.467 3.937 20 0 EHADLO Clc1ncsc1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000878706106 1137725671 /nfs/dbraw/zinc/72/56/71/1137725671.db2.gz BCPBMFWBCOTDBG-UHFFFAOYSA-N 1 2 344.267 3.888 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878716345 1137726054 /nfs/dbraw/zinc/72/60/54/1137726054.db2.gz HZVNEFOZMDNUNL-UHFFFAOYSA-N 1 2 331.256 3.842 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878758367 1137727228 /nfs/dbraw/zinc/72/72/28/1137727228.db2.gz KUVWLKFPXPAPEX-WMZOPIPTSA-N 1 2 343.858 3.799 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878758367 1137727229 /nfs/dbraw/zinc/72/72/29/1137727229.db2.gz KUVWLKFPXPAPEX-WMZOPIPTSA-N 1 2 343.858 3.799 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976406 1137734106 /nfs/dbraw/zinc/73/41/06/1137734106.db2.gz SHSMHEHGOUBILM-LSDHHAIUSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976406 1137734107 /nfs/dbraw/zinc/73/41/07/1137734107.db2.gz SHSMHEHGOUBILM-LSDHHAIUSA-N 1 2 338.238 3.654 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001137139847 1137734924 /nfs/dbraw/zinc/73/49/24/1137734924.db2.gz ZJMWEQINFODJDN-UHFFFAOYSA-N 1 2 334.460 3.525 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001137139847 1137734925 /nfs/dbraw/zinc/73/49/25/1137734925.db2.gz ZJMWEQINFODJDN-UHFFFAOYSA-N 1 2 334.460 3.525 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(SC)CC1 ZINC000879100937 1137737761 /nfs/dbraw/zinc/73/77/61/1137737761.db2.gz YEXIFLPNLJMJDO-CQSZACIVSA-N 1 2 347.402 3.747 20 0 EHADLO OC[C@H]([NH2+]Cc1scnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000879114624 1137738399 /nfs/dbraw/zinc/73/83/99/1137738399.db2.gz MKSRDVKFCXXHCX-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1nsc3ccccc13)CC2 ZINC000879238499 1137741850 /nfs/dbraw/zinc/74/18/50/1137741850.db2.gz WAUBXUZUTLKUDU-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1nsc3ccccc13)CC2 ZINC000879238499 1137741851 /nfs/dbraw/zinc/74/18/51/1137741851.db2.gz WAUBXUZUTLKUDU-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC(F)CC1 ZINC000879382043 1137746204 /nfs/dbraw/zinc/74/62/04/1137746204.db2.gz PTNFUZVUMRIPIZ-UHFFFAOYSA-N 1 2 342.418 3.852 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CCCC(=O)c3ccccc3)CCO2)cc1 ZINC000879635721 1137753022 /nfs/dbraw/zinc/75/30/22/1137753022.db2.gz BCVDXUXZQZCSOL-OAQYLSRUSA-N 1 2 339.435 3.732 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CCCC(=O)c3ccccc3)CCO2)cc1 ZINC000879635721 1137753023 /nfs/dbraw/zinc/75/30/23/1137753023.db2.gz BCVDXUXZQZCSOL-OAQYLSRUSA-N 1 2 339.435 3.732 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000879742311 1137757374 /nfs/dbraw/zinc/75/73/74/1137757374.db2.gz HXOMLFXEZOATOB-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000879742311 1137757375 /nfs/dbraw/zinc/75/73/75/1137757375.db2.gz HXOMLFXEZOATOB-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000880089989 1137767802 /nfs/dbraw/zinc/76/78/02/1137767802.db2.gz FJQKACGGPMBMMA-GFCCVEGCSA-N 1 2 349.862 3.518 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000880089989 1137767803 /nfs/dbraw/zinc/76/78/03/1137767803.db2.gz FJQKACGGPMBMMA-GFCCVEGCSA-N 1 2 349.862 3.518 20 0 EHADLO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(C(F)(F)F)nc1 ZINC000880098337 1137768122 /nfs/dbraw/zinc/76/81/22/1137768122.db2.gz PCGHDZDJPYJUCJ-SNVBAGLBSA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(F)CC2)cs1 ZINC000880240744 1137771810 /nfs/dbraw/zinc/77/18/10/1137771810.db2.gz KNAPEAISFJIEKG-UHFFFAOYSA-N 1 2 347.459 3.567 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](CF)C1 ZINC000880292662 1137773734 /nfs/dbraw/zinc/77/37/34/1137773734.db2.gz SZICZXGZGGUXCL-IJLUTSLNSA-N 1 2 349.475 3.874 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](CF)C1 ZINC000880292662 1137773735 /nfs/dbraw/zinc/77/37/35/1137773735.db2.gz SZICZXGZGGUXCL-IJLUTSLNSA-N 1 2 349.475 3.874 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000880304168 1137774065 /nfs/dbraw/zinc/77/40/65/1137774065.db2.gz WLLGBWBOHRBPMS-AWEZNQCLSA-N 1 2 346.374 3.865 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000880304168 1137774066 /nfs/dbraw/zinc/77/40/66/1137774066.db2.gz WLLGBWBOHRBPMS-AWEZNQCLSA-N 1 2 346.374 3.865 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317191 1137774827 /nfs/dbraw/zinc/77/48/27/1137774827.db2.gz PTIWJZLKUQDFOT-VXGBXAGGSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317191 1137774828 /nfs/dbraw/zinc/77/48/28/1137774828.db2.gz PTIWJZLKUQDFOT-VXGBXAGGSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000880375566 1137777149 /nfs/dbraw/zinc/77/71/49/1137777149.db2.gz GTZQUFBMZYAOSX-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000880375566 1137777150 /nfs/dbraw/zinc/77/71/50/1137777150.db2.gz GTZQUFBMZYAOSX-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO Cc1csc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1 ZINC001137154777 1137779929 /nfs/dbraw/zinc/77/99/29/1137779929.db2.gz SSVKWDIESUFGHH-HNNXBMFYSA-N 1 2 333.501 3.562 20 0 EHADLO Cc1csc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1 ZINC001137154777 1137779930 /nfs/dbraw/zinc/77/99/30/1137779930.db2.gz SSVKWDIESUFGHH-HNNXBMFYSA-N 1 2 333.501 3.562 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCc2ccccc21 ZINC000626132826 1137783606 /nfs/dbraw/zinc/78/36/06/1137783606.db2.gz AFIGUJHIHKJNQD-RISCZKNCSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCc2ccccc21 ZINC000626132826 1137783607 /nfs/dbraw/zinc/78/36/07/1137783607.db2.gz AFIGUJHIHKJNQD-RISCZKNCSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(CC(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626134095 1137785296 /nfs/dbraw/zinc/78/52/96/1137785296.db2.gz AQIDQSWZXKJKAL-MAUKXSAKSA-N 1 2 343.471 3.793 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(CC(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626134095 1137785297 /nfs/dbraw/zinc/78/52/97/1137785297.db2.gz AQIDQSWZXKJKAL-MAUKXSAKSA-N 1 2 343.471 3.793 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135084 1137790071 /nfs/dbraw/zinc/79/00/71/1137790071.db2.gz SJNIIVJASQJPPD-WMLDXEAASA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135084 1137790072 /nfs/dbraw/zinc/79/00/72/1137790072.db2.gz SJNIIVJASQJPPD-WMLDXEAASA-N 1 2 343.471 3.892 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880893300 1137793157 /nfs/dbraw/zinc/79/31/57/1137793157.db2.gz JWHYFEBZZHAVQZ-UHFFFAOYSA-N 1 2 345.205 3.883 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 ZINC000881076183 1137799824 /nfs/dbraw/zinc/79/98/24/1137799824.db2.gz ZPRCHTBWQCRCMP-UHFFFAOYSA-N 1 2 332.423 3.874 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000881170414 1137802439 /nfs/dbraw/zinc/80/24/39/1137802439.db2.gz PYWFFPARXGMHSJ-ZWNOBZJWSA-N 1 2 344.312 3.666 20 0 EHADLO CCCOc1ccc(NC(=O)NCCc2cn(C)c[nH+]2)cc1C(C)C ZINC000881195085 1137803273 /nfs/dbraw/zinc/80/32/73/1137803273.db2.gz ZWEQTKBRCBWPOY-UHFFFAOYSA-N 1 2 344.459 3.697 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000129023363 1137807665 /nfs/dbraw/zinc/80/76/65/1137807665.db2.gz GPCPJVZINNVCQL-UHFFFAOYSA-N 1 2 331.435 3.765 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000129023363 1137807666 /nfs/dbraw/zinc/80/76/66/1137807666.db2.gz GPCPJVZINNVCQL-UHFFFAOYSA-N 1 2 331.435 3.765 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656988 1137812846 /nfs/dbraw/zinc/81/28/46/1137812846.db2.gz ITRNRMIHXYXOTA-DOMZBBRYSA-N 1 2 347.409 3.661 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656988 1137812847 /nfs/dbraw/zinc/81/28/47/1137812847.db2.gz ITRNRMIHXYXOTA-DOMZBBRYSA-N 1 2 347.409 3.661 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000881661003 1137813311 /nfs/dbraw/zinc/81/33/11/1137813311.db2.gz FTXUBUXYDUTOTI-AWEZNQCLSA-N 1 2 331.847 3.790 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH+]cn1C ZINC000882033132 1137819379 /nfs/dbraw/zinc/81/93/79/1137819379.db2.gz DIRYTXHWHZKPOP-OAQYLSRUSA-N 1 2 339.483 3.757 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000888906234 1137823519 /nfs/dbraw/zinc/82/35/19/1137823519.db2.gz ZQOHVVAJICURRE-IPMKNSEASA-N 1 2 337.467 3.678 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000882571836 1137829675 /nfs/dbraw/zinc/82/96/75/1137829675.db2.gz INNUBCGQXJJSFC-BXUZGUMPSA-N 1 2 341.308 3.657 20 0 EHADLO FC1(F)CN(Cc2cccc3cccnc32)CC[C@@H]1[NH+]1CCCC1 ZINC001137178865 1137829993 /nfs/dbraw/zinc/82/99/93/1137829993.db2.gz CMHOMMKRFJWDSX-KRWDZBQOSA-N 1 2 331.410 3.540 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871866 1137836180 /nfs/dbraw/zinc/83/61/80/1137836180.db2.gz PYGMSNBKLCROQT-DZGCQCFKSA-N 1 2 339.361 3.719 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCCC[C@H](C2CCOCC2)C1 ZINC000883009850 1137841313 /nfs/dbraw/zinc/84/13/13/1137841313.db2.gz VXSSPYICTFRQPX-INIZCTEOSA-N 1 2 325.456 3.850 20 0 EHADLO CCCCOc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1OC ZINC000883308222 1137853893 /nfs/dbraw/zinc/85/38/93/1137853893.db2.gz KUCNWNJANFTMTE-UHFFFAOYSA-N 1 2 341.455 3.833 20 0 EHADLO O=C(NC[C@H]1CCCC12CC2)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883798904 1137870626 /nfs/dbraw/zinc/87/06/26/1137870626.db2.gz TZZWVJZKODNGNN-QZTJIDSGSA-N 1 2 338.455 3.504 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931833 1137874567 /nfs/dbraw/zinc/87/45/67/1137874567.db2.gz RGBZMKNKROIWAI-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931833 1137874568 /nfs/dbraw/zinc/87/45/68/1137874568.db2.gz RGBZMKNKROIWAI-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875339 1137884821 /nfs/dbraw/zinc/88/48/21/1137884821.db2.gz OVIKXZCVRYPDEE-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875339 1137884822 /nfs/dbraw/zinc/88/48/22/1137884822.db2.gz OVIKXZCVRYPDEE-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000348263669 1137886652 /nfs/dbraw/zinc/88/66/52/1137886652.db2.gz YTECDVQUEHPPIN-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO c1c2ccccc2[nH]c1[C@H]1CCCC[N@H+]1Cc1cn2cccnc2n1 ZINC000108385889 1137889391 /nfs/dbraw/zinc/88/93/91/1137889391.db2.gz KLGKQDXQYLMFJA-LJQANCHMSA-N 1 2 331.423 3.938 20 0 EHADLO c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000108385889 1137889392 /nfs/dbraw/zinc/88/93/92/1137889392.db2.gz KLGKQDXQYLMFJA-LJQANCHMSA-N 1 2 331.423 3.938 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000348268723 1137890071 /nfs/dbraw/zinc/89/00/71/1137890071.db2.gz SWLIHJMSOUOUNS-AWEZNQCLSA-N 1 2 343.496 3.886 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCSC2(CCCCC2)C1 ZINC000348268723 1137890072 /nfs/dbraw/zinc/89/00/72/1137890072.db2.gz SWLIHJMSOUOUNS-AWEZNQCLSA-N 1 2 343.496 3.886 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397892 1137892943 /nfs/dbraw/zinc/89/29/43/1137892943.db2.gz GPCDAAKHZWLGDO-SKDRFNHKSA-N 1 2 341.242 3.634 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397892 1137892944 /nfs/dbraw/zinc/89/29/44/1137892944.db2.gz GPCDAAKHZWLGDO-SKDRFNHKSA-N 1 2 341.242 3.634 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)cs1 ZINC000111376130 1137904425 /nfs/dbraw/zinc/90/44/25/1137904425.db2.gz XPWXDKPQEIGZGJ-UONOGXRCSA-N 1 2 343.496 3.724 20 0 EHADLO COCC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000112352575 1137907326 /nfs/dbraw/zinc/90/73/26/1137907326.db2.gz YTXZFUJAUNHZAG-UHFFFAOYSA-N 1 2 346.496 3.889 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1Br ZINC000112518374 1137908103 /nfs/dbraw/zinc/90/81/03/1137908103.db2.gz XBBFWSZSTULXAR-DTWKUNHWSA-N 1 2 340.221 3.561 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccco2)n(C(C)(C)C)n1 ZINC000331455045 1137909084 /nfs/dbraw/zinc/90/90/84/1137909084.db2.gz MSNOBXWUZJGMNH-HNNXBMFYSA-N 1 2 344.459 3.705 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccco2)n(C(C)(C)C)n1 ZINC000331455045 1137909085 /nfs/dbraw/zinc/90/90/85/1137909085.db2.gz MSNOBXWUZJGMNH-HNNXBMFYSA-N 1 2 344.459 3.705 20 0 EHADLO Cc1nc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)oc1C ZINC000284358363 1137910435 /nfs/dbraw/zinc/91/04/35/1137910435.db2.gz DEYFIYCKKSIRHB-HNNXBMFYSA-N 1 2 336.233 3.690 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000112996920 1137911253 /nfs/dbraw/zinc/91/12/53/1137911253.db2.gz NLPVOMMCDHBGBJ-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000112996920 1137911254 /nfs/dbraw/zinc/91/12/54/1137911254.db2.gz NLPVOMMCDHBGBJ-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114805867 1137918963 /nfs/dbraw/zinc/91/89/63/1137918963.db2.gz WYSLWBMLEQFHNQ-MRXNPFEDSA-N 1 2 338.455 3.555 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114805666 1137919038 /nfs/dbraw/zinc/91/90/38/1137919038.db2.gz JACQFGFFPLELIA-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000115985316 1137924193 /nfs/dbraw/zinc/92/41/93/1137924193.db2.gz VUJLQCPQTAPRRC-QGZVFWFLSA-N 1 2 337.467 3.800 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000118840609 1137935771 /nfs/dbraw/zinc/93/57/71/1137935771.db2.gz KBSIJPCYQJUUSD-RHSMWYFYSA-N 1 2 336.439 3.674 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332292825 1137938668 /nfs/dbraw/zinc/93/86/68/1137938668.db2.gz JSLUYEUYIZAFEL-ZDUSSCGKSA-N 1 2 328.416 3.529 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332314953 1137939511 /nfs/dbraw/zinc/93/95/11/1137939511.db2.gz PBKMMUWXBOPVSY-UHFFFAOYSA-N 1 2 340.214 3.523 20 0 EHADLO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332314953 1137939512 /nfs/dbraw/zinc/93/95/12/1137939512.db2.gz PBKMMUWXBOPVSY-UHFFFAOYSA-N 1 2 340.214 3.523 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332363114 1137941514 /nfs/dbraw/zinc/94/15/14/1137941514.db2.gz VJNYDKZCMJBCDM-ZJUUUORDSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332363114 1137941515 /nfs/dbraw/zinc/94/15/15/1137941515.db2.gz VJNYDKZCMJBCDM-ZJUUUORDSA-N 1 2 325.771 3.508 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000120315939 1137948483 /nfs/dbraw/zinc/94/84/83/1137948483.db2.gz AEQHDUZSPLRIMN-UHFFFAOYSA-N 1 2 341.430 3.698 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000120969803 1137954050 /nfs/dbraw/zinc/95/40/50/1137954050.db2.gz HXASPROPLMKCPZ-LJQANCHMSA-N 1 2 345.443 3.526 20 0 EHADLO COc1ccc(NC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC001202725577 1137955548 /nfs/dbraw/zinc/95/55/48/1137955548.db2.gz MOPFYKLCOLKKJG-UHFFFAOYSA-N 1 2 336.395 3.892 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC001137211769 1137962494 /nfs/dbraw/zinc/96/24/94/1137962494.db2.gz ZKNHXJAOIOSVED-UHFFFAOYSA-N 1 2 331.463 3.861 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885244038 1137991288 /nfs/dbraw/zinc/99/12/88/1137991288.db2.gz BJDLTFCXTUVWCD-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885244038 1137991290 /nfs/dbraw/zinc/99/12/90/1137991290.db2.gz BJDLTFCXTUVWCD-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1C ZINC000348354443 1138019147 /nfs/dbraw/zinc/01/91/47/1138019147.db2.gz JSEFBYJLQAZMTH-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1C ZINC000348354443 1138019150 /nfs/dbraw/zinc/01/91/50/1138019150.db2.gz JSEFBYJLQAZMTH-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(F)cc2Br)sc1C ZINC000136259156 1138021825 /nfs/dbraw/zinc/02/18/25/1138021825.db2.gz ORVYJQPEJVUUSL-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000890248910 1138023372 /nfs/dbraw/zinc/02/33/72/1138023372.db2.gz VBHZOGVJSJOFDM-SFHVURJKSA-N 1 2 326.444 3.599 20 0 EHADLO Cc1coc(C[NH2+]Cc2cn3cc(Br)cc(C)c3n2)c1 ZINC000886062062 1138036859 /nfs/dbraw/zinc/03/68/59/1138036859.db2.gz FXPSYHMSWVVKRD-UHFFFAOYSA-N 1 2 334.217 3.596 20 0 EHADLO Cn1cc(-c2nc(C[NH2+]C(C)(C)c3ccc(F)cc3F)cs2)cn1 ZINC000886350348 1138069985 /nfs/dbraw/zinc/06/99/85/1138069985.db2.gz RMOFPVNGDQQDIP-UHFFFAOYSA-N 1 2 348.422 3.847 20 0 EHADLO CC(C)(CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000067033711 1138079506 /nfs/dbraw/zinc/07/95/06/1138079506.db2.gz BIQDXIHIQFZBHW-UHFFFAOYSA-N 1 2 337.467 3.666 20 0 EHADLO c1ccc(-n2nc(C[NH2+][C@H]3CCc4cccnc43)c3c2CCC3)cc1 ZINC000886510000 1138086668 /nfs/dbraw/zinc/08/66/68/1138086668.db2.gz OTJJBGVXMXJBSV-SFHVURJKSA-N 1 2 330.435 3.533 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)o1 ZINC000070786662 1138095612 /nfs/dbraw/zinc/09/56/12/1138095612.db2.gz GNOPSCFXJCZQRS-LBPRGKRZSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)o1 ZINC000070786662 1138095613 /nfs/dbraw/zinc/09/56/13/1138095613.db2.gz GNOPSCFXJCZQRS-LBPRGKRZSA-N 1 2 338.354 3.648 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1noc(-c3ccccc3)n1)C2 ZINC000886611014 1138101821 /nfs/dbraw/zinc/10/18/21/1138101821.db2.gz QNEYPMULXZATMI-BBRMVZONSA-N 1 2 337.345 3.901 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1noc(-c3ccccc3)n1)C2 ZINC000886611014 1138101823 /nfs/dbraw/zinc/10/18/23/1138101823.db2.gz QNEYPMULXZATMI-BBRMVZONSA-N 1 2 337.345 3.901 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2cccs2)c1C ZINC000072800965 1138107826 /nfs/dbraw/zinc/10/78/26/1138107826.db2.gz HRPKRPLLRGCZCR-CYBMUJFWSA-N 1 2 332.469 3.641 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2cccs2)c1C ZINC000072800965 1138107827 /nfs/dbraw/zinc/10/78/27/1138107827.db2.gz HRPKRPLLRGCZCR-CYBMUJFWSA-N 1 2 332.469 3.641 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H](Cc3nc(C)cs3)C2)cs1 ZINC000886696437 1138117698 /nfs/dbraw/zinc/11/76/98/1138117698.db2.gz OMXAPRWTNWJYCZ-CYBMUJFWSA-N 1 2 337.514 3.509 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)cs1 ZINC000886696437 1138117700 /nfs/dbraw/zinc/11/77/00/1138117700.db2.gz OMXAPRWTNWJYCZ-CYBMUJFWSA-N 1 2 337.514 3.509 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCC[C@H](Cc3nc(C)cs3)C2)n1 ZINC000886699330 1138118324 /nfs/dbraw/zinc/11/83/24/1138118324.db2.gz ZDJZKTOPBZYEPO-CQSZACIVSA-N 1 2 334.489 3.632 20 0 EHADLO CCCCc1noc(C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)n1 ZINC000886699330 1138118326 /nfs/dbraw/zinc/11/83/26/1138118326.db2.gz ZDJZKTOPBZYEPO-CQSZACIVSA-N 1 2 334.489 3.632 20 0 EHADLO CC[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000077904075 1138144311 /nfs/dbraw/zinc/14/43/11/1138144311.db2.gz UUQMENMBEXTTIS-OAHLLOKOSA-N 1 2 330.501 3.813 20 0 EHADLO CC(C)[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000079409972 1138155814 /nfs/dbraw/zinc/15/58/14/1138155814.db2.gz MHJQKYLAMAIQOH-FQEVSTJZSA-N 1 2 337.467 3.738 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000079880544 1138159401 /nfs/dbraw/zinc/15/94/01/1138159401.db2.gz VPASDBOSJDKVBQ-OAHLLOKOSA-N 1 2 344.528 3.714 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(C)o1 ZINC000080237686 1138161847 /nfs/dbraw/zinc/16/18/47/1138161847.db2.gz UFNHUTBLRUIWLD-CQSZACIVSA-N 1 2 342.208 3.967 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1O ZINC000080962147 1138165266 /nfs/dbraw/zinc/16/52/66/1138165266.db2.gz SHDNLUZTRABXNH-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1O ZINC000080962147 1138165268 /nfs/dbraw/zinc/16/52/68/1138165268.db2.gz SHDNLUZTRABXNH-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO CCc1cnc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000081231558 1138166834 /nfs/dbraw/zinc/16/68/34/1138166834.db2.gz PWBRQZQCIVYLMD-UHFFFAOYSA-N 1 2 346.481 3.534 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1cccc(SC(F)(F)F)c1 ZINC000886931611 1138173518 /nfs/dbraw/zinc/17/35/18/1138173518.db2.gz VIYTYNUVIMVMPH-SNVBAGLBSA-N 1 2 348.369 3.710 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000086234919 1138186263 /nfs/dbraw/zinc/18/62/63/1138186263.db2.gz RQASMOBRQKSARE-AWEZNQCLSA-N 1 2 342.443 3.755 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000086234919 1138186265 /nfs/dbraw/zinc/18/62/65/1138186265.db2.gz RQASMOBRQKSARE-AWEZNQCLSA-N 1 2 342.443 3.755 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000089466331 1138199251 /nfs/dbraw/zinc/19/92/51/1138199251.db2.gz HWQDJKPRILOPEI-SCLBCKFNSA-N 1 2 340.427 3.509 20 0 EHADLO COc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc2ccccc21 ZINC000887082645 1138204872 /nfs/dbraw/zinc/20/48/72/1138204872.db2.gz ZPSGJQPEKZWSQZ-UHFFFAOYSA-N 1 2 335.407 3.562 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000089852215 1138206468 /nfs/dbraw/zinc/20/64/68/1138206468.db2.gz BRELMGUQILNAPU-BEFAXECRSA-N 1 2 335.407 3.866 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091704288 1138221143 /nfs/dbraw/zinc/22/11/43/1138221143.db2.gz IQPKJKMUASUHOK-WMLDXEAASA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000091704288 1138221145 /nfs/dbraw/zinc/22/11/45/1138221145.db2.gz IQPKJKMUASUHOK-WMLDXEAASA-N 1 2 345.874 3.995 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234942 1138235273 /nfs/dbraw/zinc/23/52/73/1138235273.db2.gz FUNQUZPBRBVCCO-QGZVFWFLSA-N 1 2 337.467 3.574 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234942 1138235275 /nfs/dbraw/zinc/23/52/75/1138235275.db2.gz FUNQUZPBRBVCCO-QGZVFWFLSA-N 1 2 337.467 3.574 20 0 EHADLO c1cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cs1 ZINC000093768265 1138240554 /nfs/dbraw/zinc/24/05/54/1138240554.db2.gz CUGVSCJWDKVAQK-KRWDZBQOSA-N 1 2 325.437 3.712 20 0 EHADLO c1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cs1 ZINC000093768265 1138240556 /nfs/dbraw/zinc/24/05/56/1138240556.db2.gz CUGVSCJWDKVAQK-KRWDZBQOSA-N 1 2 325.437 3.712 20 0 EHADLO O=C1CC2(CC[NH+](Cc3cnccc3Cl)CC2)c2ccccc21 ZINC001137239066 1138242218 /nfs/dbraw/zinc/24/22/18/1138242218.db2.gz FFHXZJQUDAUYRW-UHFFFAOYSA-N 1 2 326.827 3.855 20 0 EHADLO c1cc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)n[nH]1 ZINC000333531429 1138301044 /nfs/dbraw/zinc/30/10/44/1138301044.db2.gz JDDTVLOKCUGNGU-QGZVFWFLSA-N 1 2 327.428 3.688 20 0 EHADLO c1cc([C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)n[nH]1 ZINC000333531429 1138301049 /nfs/dbraw/zinc/30/10/49/1138301049.db2.gz JDDTVLOKCUGNGU-QGZVFWFLSA-N 1 2 327.428 3.688 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333530055 1138301168 /nfs/dbraw/zinc/30/11/68/1138301168.db2.gz XXEZEZXNRMJPTM-QAPCUYQASA-N 1 2 344.503 3.687 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000126052733 1138323012 /nfs/dbraw/zinc/32/30/12/1138323012.db2.gz HOGSQYUKGHXGMZ-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1OC(F)F ZINC000126100943 1138324010 /nfs/dbraw/zinc/32/40/10/1138324010.db2.gz NIGZHYMPHFXWNX-GOEBONIOSA-N 1 2 334.366 3.555 20 0 EHADLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(C)c1 ZINC000126205963 1138326370 /nfs/dbraw/zinc/32/63/70/1138326370.db2.gz PLLVLPMXGDUFGX-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334092899 1138369941 /nfs/dbraw/zinc/36/99/41/1138369941.db2.gz PBEHKKNPDKMVID-ULQDDVLXSA-N 1 2 330.476 3.515 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000127999437 1138377335 /nfs/dbraw/zinc/37/73/35/1138377335.db2.gz FIBLNNQYOOLSPY-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127999437 1138377338 /nfs/dbraw/zinc/37/73/38/1138377338.db2.gz FIBLNNQYOOLSPY-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128462355 1138390387 /nfs/dbraw/zinc/39/03/87/1138390387.db2.gz CDWRKMIAMXLMJU-DOTOQJQBSA-N 1 2 342.443 3.785 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000128565536 1138393203 /nfs/dbraw/zinc/39/32/03/1138393203.db2.gz XBLAPHAUDKEBPO-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)coc2c1C ZINC000263962707 1138398604 /nfs/dbraw/zinc/39/86/04/1138398604.db2.gz YJSWQGPPDJAOIK-OAHLLOKOSA-N 1 2 337.423 3.721 20 0 EHADLO CCN1CC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C[C@H]1c1ncc[nH]1 ZINC000348438007 1138423960 /nfs/dbraw/zinc/42/39/60/1138423960.db2.gz DWUJOOJFIZPNSE-DOMZBBRYSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C[C@H]1c1ncc[nH]1 ZINC000348438007 1138423963 /nfs/dbraw/zinc/42/39/63/1138423963.db2.gz DWUJOOJFIZPNSE-DOMZBBRYSA-N 1 2 336.842 3.642 20 0 EHADLO Cc1ccccc1OCCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264139121 1138426997 /nfs/dbraw/zinc/42/69/97/1138426997.db2.gz HFLXKRSDMKIQFS-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CCCn1nccc1C1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000336956613 1138434233 /nfs/dbraw/zinc/43/42/33/1138434233.db2.gz WEYMTJFJDBCVHH-UHFFFAOYSA-N 1 2 339.487 3.654 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)[NH+]1CCOCC1 ZINC000264253952 1138455205 /nfs/dbraw/zinc/45/52/05/1138455205.db2.gz PGPQWIOSZVSVJI-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(C)n1 ZINC000337141367 1138477475 /nfs/dbraw/zinc/47/74/75/1138477475.db2.gz VNHLZWGAFKLVRQ-YVEFUNNKSA-N 1 2 327.428 3.675 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(C)n1 ZINC000337141367 1138477477 /nfs/dbraw/zinc/47/74/77/1138477477.db2.gz VNHLZWGAFKLVRQ-YVEFUNNKSA-N 1 2 327.428 3.675 20 0 EHADLO COc1ncc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c(C)n1 ZINC000337168555 1138484532 /nfs/dbraw/zinc/48/45/32/1138484532.db2.gz BRXSUYAHJCPSFE-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ncc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c(C)n1 ZINC000337168555 1138484534 /nfs/dbraw/zinc/48/45/34/1138484534.db2.gz BRXSUYAHJCPSFE-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000337171973 1138485502 /nfs/dbraw/zinc/48/55/02/1138485502.db2.gz GHDDICJOSMIYTC-ZWKOTPCHSA-N 1 2 344.480 3.865 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000337171973 1138485503 /nfs/dbraw/zinc/48/55/03/1138485503.db2.gz GHDDICJOSMIYTC-ZWKOTPCHSA-N 1 2 344.480 3.865 20 0 EHADLO COc1ncc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)c(C)n1 ZINC000337185346 1138489273 /nfs/dbraw/zinc/48/92/73/1138489273.db2.gz OWJWBMHZTCCTNF-UHFFFAOYSA-N 1 2 348.450 3.699 20 0 EHADLO COc1ncc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)c(C)n1 ZINC000337185346 1138489275 /nfs/dbraw/zinc/48/92/75/1138489275.db2.gz OWJWBMHZTCCTNF-UHFFFAOYSA-N 1 2 348.450 3.699 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2c(F)ccc(Br)c2F)cnn1C ZINC000337312571 1138528411 /nfs/dbraw/zinc/52/84/11/1138528411.db2.gz FJMPDDMWNILMKB-MRVPVSSYSA-N 1 2 344.203 3.620 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000337314908 1138529687 /nfs/dbraw/zinc/52/96/87/1138529687.db2.gz WTPHWFLEBMTFRM-KRWDZBQOSA-N 1 2 328.460 3.720 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000337314908 1138529693 /nfs/dbraw/zinc/52/96/93/1138529693.db2.gz WTPHWFLEBMTFRM-KRWDZBQOSA-N 1 2 328.460 3.720 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000337365739 1138545943 /nfs/dbraw/zinc/54/59/43/1138545943.db2.gz OJXRXRHMPDBGOR-MRXNPFEDSA-N 1 2 326.444 3.561 20 0 EHADLO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000264524410 1138546851 /nfs/dbraw/zinc/54/68/51/1138546851.db2.gz HGMULVXQFCONPH-QGZVFWFLSA-N 1 2 347.846 3.546 20 0 EHADLO CC1(C)C[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000337423399 1138564811 /nfs/dbraw/zinc/56/48/11/1138564811.db2.gz BRZBFKNWKHBDNC-AWEZNQCLSA-N 1 2 341.480 3.686 20 0 EHADLO CC1(C)C[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000337423399 1138564812 /nfs/dbraw/zinc/56/48/12/1138564812.db2.gz BRZBFKNWKHBDNC-AWEZNQCLSA-N 1 2 341.480 3.686 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(OCCc2ccccc2)c1 ZINC000337428030 1138566683 /nfs/dbraw/zinc/56/66/83/1138566683.db2.gz FGKSSDSZBVIWEH-UHFFFAOYSA-N 1 2 335.407 3.533 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1Cl ZINC000264605672 1138573554 /nfs/dbraw/zinc/57/35/54/1138573554.db2.gz DCTGHABIUMWEGF-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000264605672 1138573556 /nfs/dbraw/zinc/57/35/56/1138573556.db2.gz DCTGHABIUMWEGF-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132554968 1138588588 /nfs/dbraw/zinc/58/85/88/1138588588.db2.gz QBIRWWJMIMLWKP-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132554968 1138588589 /nfs/dbraw/zinc/58/85/89/1138588589.db2.gz QBIRWWJMIMLWKP-GFCCVEGCSA-N 1 2 341.436 3.926 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000337551266 1138603096 /nfs/dbraw/zinc/60/30/96/1138603096.db2.gz ZREOWUIVYKOMHY-UHFFFAOYSA-N 1 2 327.428 3.871 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264696246 1138608408 /nfs/dbraw/zinc/60/84/08/1138608408.db2.gz FUVUKXGHPIYBDL-ZDUSSCGKSA-N 1 2 346.406 3.748 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264702748 1138610691 /nfs/dbraw/zinc/61/06/91/1138610691.db2.gz AVSLYSQIXKMZFK-ROUUACIJSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(CCCc1csc2ccccc12)NCCCn1cc[nH+]c1 ZINC000132996611 1138615180 /nfs/dbraw/zinc/61/51/80/1138615180.db2.gz DDQFXTWZXXVTPV-UHFFFAOYSA-N 1 2 327.453 3.627 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000133022240 1138616727 /nfs/dbraw/zinc/61/67/27/1138616727.db2.gz PVPAXQNDEBHORQ-KRWDZBQOSA-N 1 2 328.460 3.702 20 0 EHADLO O=C(Nc1ccccc1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264726617 1138618286 /nfs/dbraw/zinc/61/82/86/1138618286.db2.gz MIIAAHNAFCFNAG-LLVKDONJSA-N 1 2 349.232 3.584 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337655885 1138635639 /nfs/dbraw/zinc/63/56/39/1138635639.db2.gz NNFZURQLGBGJFF-MNLRITNHSA-N 1 2 349.478 3.529 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264803055 1138643887 /nfs/dbraw/zinc/64/38/87/1138643887.db2.gz CTJUBDWPRAEGQC-KRWDZBQOSA-N 1 2 329.469 3.620 20 0 EHADLO Cc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c(Cl)n1 ZINC001212834657 1138652095 /nfs/dbraw/zinc/65/20/95/1138652095.db2.gz RMCMYTYENUQSRA-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786956 1138656224 /nfs/dbraw/zinc/65/62/24/1138656224.db2.gz BPZWERSKQNPJFS-UHOSZYNNSA-N 1 2 345.414 3.621 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786956 1138656225 /nfs/dbraw/zinc/65/62/25/1138656225.db2.gz BPZWERSKQNPJFS-UHOSZYNNSA-N 1 2 345.414 3.621 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCCCC2)C[C@H](C)O1 ZINC000337937639 1138701889 /nfs/dbraw/zinc/70/18/89/1138701889.db2.gz QHOHWXJYNFSAKH-CALCHBBNSA-N 1 2 345.487 3.704 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCCCC2)C[C@H](C)O1 ZINC000337937639 1138701892 /nfs/dbraw/zinc/70/18/92/1138701892.db2.gz QHOHWXJYNFSAKH-CALCHBBNSA-N 1 2 345.487 3.704 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@H](OCCOC)C3)cc[nH+]c12 ZINC000337950627 1138706148 /nfs/dbraw/zinc/70/61/48/1138706148.db2.gz ZUKVMDPAMSPEHX-INIZCTEOSA-N 1 2 344.455 3.655 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000337960792 1138709378 /nfs/dbraw/zinc/70/93/78/1138709378.db2.gz ZYMQZMLWRJWRQZ-SFHVURJKSA-N 1 2 344.455 3.723 20 0 EHADLO CCc1cccc(Cc2cnc(NC(=O)CCn3cc[nH+]c3)s2)c1 ZINC000338084187 1138745271 /nfs/dbraw/zinc/74/52/71/1138745271.db2.gz IJEVZSXBLXQRHR-UHFFFAOYSA-N 1 2 340.452 3.522 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n[nH]1 ZINC000338112882 1138755100 /nfs/dbraw/zinc/75/51/00/1138755100.db2.gz NLCZTCZPADBGQU-UHFFFAOYSA-N 1 2 329.791 3.625 20 0 EHADLO COc1cc(CNc2ccc(N3CCCC3)c[nH+]2)ccc1OC(C)C ZINC000338159145 1138769919 /nfs/dbraw/zinc/76/99/19/1138769919.db2.gz DXTGDNHYYCAWJZ-UHFFFAOYSA-N 1 2 341.455 3.512 20 0 EHADLO Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1nccn1CC(F)(F)F ZINC000338189851 1138780736 /nfs/dbraw/zinc/78/07/36/1138780736.db2.gz PEGCQHDNRZFEHN-GFCCVEGCSA-N 1 2 331.288 3.501 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000265247805 1138781378 /nfs/dbraw/zinc/78/13/78/1138781378.db2.gz NMRYSESKKCTGAH-HNAYVOBHSA-N 1 2 326.440 3.565 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)ccc1F ZINC000338259230 1138803743 /nfs/dbraw/zinc/80/37/43/1138803743.db2.gz SFILMOHDKWXJAA-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000338258873 1138803872 /nfs/dbraw/zinc/80/38/72/1138803872.db2.gz RKCYDYRCZIENAW-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO CCOc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000338259585 1138804655 /nfs/dbraw/zinc/80/46/55/1138804655.db2.gz VIQPMMVYNPHLKW-GOSISDBHSA-N 1 2 344.842 3.525 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCCc2sccc21 ZINC000136619675 1138805421 /nfs/dbraw/zinc/80/54/21/1138805421.db2.gz LHLWGFAQNRXUSP-HNNXBMFYSA-N 1 2 344.484 3.712 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000338273239 1138810745 /nfs/dbraw/zinc/81/07/45/1138810745.db2.gz GIQKXWXXGFOZFQ-INIZCTEOSA-N 1 2 330.476 3.919 20 0 EHADLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000136884703 1138821252 /nfs/dbraw/zinc/82/12/52/1138821252.db2.gz LRKCHRNRVZEFNO-INIZCTEOSA-N 1 2 340.471 3.555 20 0 EHADLO C[N@H+](CCCO[C@@H]1CCCCO1)Cc1nc(C(F)(F)F)cs1 ZINC000338308408 1138827538 /nfs/dbraw/zinc/82/75/38/1138827538.db2.gz CZBZGXRYZJWKGX-CYBMUJFWSA-N 1 2 338.395 3.527 20 0 EHADLO C[N@@H+](CCCO[C@@H]1CCCCO1)Cc1nc(C(F)(F)F)cs1 ZINC000338308408 1138827543 /nfs/dbraw/zinc/82/75/43/1138827543.db2.gz CZBZGXRYZJWKGX-CYBMUJFWSA-N 1 2 338.395 3.527 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000338323657 1138834368 /nfs/dbraw/zinc/83/43/68/1138834368.db2.gz WMCJCDXQLFZDGP-CKEIUWERSA-N 1 2 344.434 3.635 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000338325895 1138835702 /nfs/dbraw/zinc/83/57/02/1138835702.db2.gz FMNHUFJICRWHRE-GOSISDBHSA-N 1 2 336.439 3.872 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000338325895 1138835706 /nfs/dbraw/zinc/83/57/06/1138835706.db2.gz FMNHUFJICRWHRE-GOSISDBHSA-N 1 2 336.439 3.872 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)[nH]1 ZINC000338332309 1138837597 /nfs/dbraw/zinc/83/75/97/1138837597.db2.gz JOFAHYNVXWALJE-HNNXBMFYSA-N 1 2 338.814 3.512 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)[nH]1 ZINC000338332309 1138837603 /nfs/dbraw/zinc/83/76/03/1138837603.db2.gz JOFAHYNVXWALJE-HNNXBMFYSA-N 1 2 338.814 3.512 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338355027 1138851074 /nfs/dbraw/zinc/85/10/74/1138851074.db2.gz GSDVEYWLXFYAJT-IRXDYDNUSA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338407036 1138896226 /nfs/dbraw/zinc/89/62/26/1138896226.db2.gz CPKDGNMPBKJRSN-DOTOQJQBSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887882162 1138967272 /nfs/dbraw/zinc/96/72/72/1138967272.db2.gz QDEHMHLILRNNQY-KKXBDNRESA-N 1 2 349.478 3.826 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccnc1Cl ZINC000151112084 1139009172 /nfs/dbraw/zinc/00/91/72/1139009172.db2.gz MLLSFVJCOWWZFU-JTQLQIEISA-N 1 2 345.752 3.922 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccoc1C(=O)OC)CCC2 ZINC000152518447 1139095381 /nfs/dbraw/zinc/09/53/81/1139095381.db2.gz QDMWHWYMQNDAOQ-ZDUSSCGKSA-N 1 2 334.441 3.595 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccoc1C(=O)OC)CCC2 ZINC000152518447 1139095389 /nfs/dbraw/zinc/09/53/89/1139095389.db2.gz QDMWHWYMQNDAOQ-ZDUSSCGKSA-N 1 2 334.441 3.595 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000152638248 1139101635 /nfs/dbraw/zinc/10/16/35/1139101635.db2.gz IDMYGKGDSVTLRF-GOSISDBHSA-N 1 2 334.423 3.579 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000153130065 1139123258 /nfs/dbraw/zinc/12/32/58/1139123258.db2.gz RJJXPFLRKZHSTR-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507321 1139223004 /nfs/dbraw/zinc/22/30/04/1139223004.db2.gz RXYLKPXSGFRFSA-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507321 1139223009 /nfs/dbraw/zinc/22/30/09/1139223009.db2.gz RXYLKPXSGFRFSA-SWLSCSKDSA-N 1 2 349.887 3.638 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889543065 1139228172 /nfs/dbraw/zinc/22/81/72/1139228172.db2.gz POEAPSGSTORFHP-RABNJQQNSA-N 1 2 342.487 3.777 20 0 EHADLO CC(C)CN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(C)C ZINC000889558645 1139233296 /nfs/dbraw/zinc/23/32/96/1139233296.db2.gz SPWIRIKCSPLSSK-QAQDUYKDSA-N 1 2 332.492 3.881 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC001137260064 1139301612 /nfs/dbraw/zinc/30/16/12/1139301612.db2.gz DJTDNSATJAXWNZ-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001137260245 1139302134 /nfs/dbraw/zinc/30/21/34/1139302134.db2.gz JXSMFNNQWBXHCI-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CN(CCC(C)(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890244570 1139329072 /nfs/dbraw/zinc/32/90/72/1139329072.db2.gz LKUTXAGKTOWRCL-KRWDZBQOSA-N 1 2 328.460 3.702 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc3ccccc3[nH]c2=O)o1 ZINC000174481949 1139423397 /nfs/dbraw/zinc/42/33/97/1139423397.db2.gz VSFYZGSSZNYPQA-QGZVFWFLSA-N 1 2 326.396 3.573 20 0 EHADLO CCC(CC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174678748 1139435380 /nfs/dbraw/zinc/43/53/80/1139435380.db2.gz WRNJUTJOKLZBQL-UHFFFAOYSA-N 1 2 332.492 3.518 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)C(C)C ZINC000174903754 1139449416 /nfs/dbraw/zinc/44/94/16/1139449416.db2.gz NVBAEQWMFUIKJZ-KRWDZBQOSA-N 1 2 331.504 3.829 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCCCCNc1cccc[nH+]1 ZINC000175128947 1139465161 /nfs/dbraw/zinc/46/51/61/1139465161.db2.gz IHWPKLIGVNCEKK-AATRIKPKSA-N 1 2 327.403 3.633 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000175357937 1139485431 /nfs/dbraw/zinc/48/54/31/1139485431.db2.gz IWWHYDFTJSKHSF-INIZCTEOSA-N 1 2 344.459 3.862 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(Cl)s1 ZINC000175725031 1139513318 /nfs/dbraw/zinc/51/33/18/1139513318.db2.gz RDTLSNQLFRYZDI-QMMMGPOBSA-N 1 2 341.889 3.588 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(Cl)s1 ZINC000175725031 1139513322 /nfs/dbraw/zinc/51/33/22/1139513322.db2.gz RDTLSNQLFRYZDI-QMMMGPOBSA-N 1 2 341.889 3.588 20 0 EHADLO COc1ccc([C@H](C)CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000176258306 1139548580 /nfs/dbraw/zinc/54/85/80/1139548580.db2.gz AWDPOJKIBRAQAE-MRXNPFEDSA-N 1 2 341.455 3.592 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000176385465 1139555624 /nfs/dbraw/zinc/55/56/24/1139555624.db2.gz UHYUNHFCDXVNNH-CDHQVMDDSA-N 1 2 333.435 3.592 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000177504363 1139623745 /nfs/dbraw/zinc/62/37/45/1139623745.db2.gz LGEWLHVRXGXAIS-IMFGXOCKSA-N 1 2 337.467 3.803 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000177549108 1139625889 /nfs/dbraw/zinc/62/58/89/1139625889.db2.gz BVUIUQALABTWPK-QDFGCFFBSA-N 1 2 335.860 3.721 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000177774593 1139640537 /nfs/dbraw/zinc/64/05/37/1139640537.db2.gz VMKJTBJETYEEQL-QGZVFWFLSA-N 1 2 338.386 3.520 20 0 EHADLO CSc1cc(C[NH2+]Cc2csc(-c3ccccn3)n2)ccn1 ZINC000357367324 1139649010 /nfs/dbraw/zinc/64/90/10/1139649010.db2.gz MSGIUNCFRCANCD-UHFFFAOYSA-N 1 2 328.466 3.612 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178212597 1139679028 /nfs/dbraw/zinc/67/90/28/1139679028.db2.gz UMPWYLBGUGUXBX-UHFFFAOYSA-N 1 2 338.411 3.833 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1nnc(C)n1C ZINC000178306731 1139685988 /nfs/dbraw/zinc/68/59/88/1139685988.db2.gz OIRZROXOROKMRJ-HNNXBMFYSA-N 1 2 336.867 3.663 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccccc3OC)n2)cc1 ZINC000178711480 1139714549 /nfs/dbraw/zinc/71/45/49/1139714549.db2.gz RGAFYYZMJIHHDP-OAHLLOKOSA-N 1 2 337.423 3.740 20 0 EHADLO CC[C@@H](C)OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179125457 1139737182 /nfs/dbraw/zinc/73/71/82/1139737182.db2.gz UGDIAFGEOWVOHC-CQSZACIVSA-N 1 2 327.428 3.640 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OC(F)F)c1 ZINC000179595659 1139767631 /nfs/dbraw/zinc/76/76/31/1139767631.db2.gz BQMDQCVPJSXUNL-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179861660 1139788808 /nfs/dbraw/zinc/78/88/08/1139788808.db2.gz PVWICXKILROAEP-SNVBAGLBSA-N 1 2 340.349 3.508 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000179878011 1139789717 /nfs/dbraw/zinc/78/97/17/1139789717.db2.gz MMEKOSZHMNMBQD-UHFFFAOYSA-N 1 2 345.874 3.731 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000180148248 1139813353 /nfs/dbraw/zinc/81/33/53/1139813353.db2.gz NONYHYGEHVVAIB-QGZVFWFLSA-N 1 2 331.847 3.707 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000180148248 1139813359 /nfs/dbraw/zinc/81/33/59/1139813359.db2.gz NONYHYGEHVVAIB-QGZVFWFLSA-N 1 2 331.847 3.707 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180950627 1139873972 /nfs/dbraw/zinc/87/39/72/1139873972.db2.gz LMZCLJZZWQWAKX-SNVBAGLBSA-N 1 2 341.333 3.739 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000181714076 1139925689 /nfs/dbraw/zinc/92/56/89/1139925689.db2.gz BAMWYDUDKVYGMC-MRXNPFEDSA-N 1 2 331.412 3.952 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000182112874 1139951341 /nfs/dbraw/zinc/95/13/41/1139951341.db2.gz WROAXMLIYOTXPB-GOSISDBHSA-N 1 2 326.444 3.504 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847514 1139996724 /nfs/dbraw/zinc/99/67/24/1139996724.db2.gz MYTBTWYOLCBVFL-GFCCVEGCSA-N 1 2 344.406 3.758 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847514 1139996726 /nfs/dbraw/zinc/99/67/26/1139996726.db2.gz MYTBTWYOLCBVFL-GFCCVEGCSA-N 1 2 344.406 3.758 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccn2cc[nH+]c2c1 ZINC000183187537 1140019231 /nfs/dbraw/zinc/01/92/31/1140019231.db2.gz IFFKEPPNFIKGDM-UHFFFAOYSA-N 1 2 339.361 3.709 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000183922199 1140066446 /nfs/dbraw/zinc/06/64/46/1140066446.db2.gz ZNZUPZRTLYLELJ-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184728444 1140117411 /nfs/dbraw/zinc/11/74/11/1140117411.db2.gz TZEDFANLPNJXOX-QGZVFWFLSA-N 1 2 331.412 3.667 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cs1 ZINC000184725203 1140117556 /nfs/dbraw/zinc/11/75/56/1140117556.db2.gz WZYHCIPISWLVQX-KBPBESRZSA-N 1 2 331.485 3.622 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862903 1140123511 /nfs/dbraw/zinc/12/35/11/1140123511.db2.gz RXNVYYUURACCGM-GJZGRUSLSA-N 1 2 329.444 3.687 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000184986834 1140129558 /nfs/dbraw/zinc/12/95/58/1140129558.db2.gz GVMWJDNUQNRWIK-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1ncc(C)s1)[C@@H](C)c1ccc(F)cc1 ZINC000184994122 1140130758 /nfs/dbraw/zinc/13/07/58/1140130758.db2.gz RYKUVMXIWNCJQK-KBPBESRZSA-N 1 2 349.475 3.851 20 0 EHADLO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185242012 1140141362 /nfs/dbraw/zinc/14/13/62/1140141362.db2.gz JYAZDJNQDLYMIO-LRDDRELGSA-N 1 2 333.407 3.641 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000185619966 1140159648 /nfs/dbraw/zinc/15/96/48/1140159648.db2.gz DGAJDYMJFJPKCV-APWZRJJASA-N 1 2 340.471 3.628 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186015246 1140182756 /nfs/dbraw/zinc/18/27/56/1140182756.db2.gz IXDZSUUPBVYZFU-UHFFFAOYSA-N 1 2 329.362 3.817 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Br)ccc1F ZINC000186511723 1140207844 /nfs/dbraw/zinc/20/78/44/1140207844.db2.gz HDYIXPPZCFLTGQ-YGRLFVJLSA-N 1 2 342.208 3.956 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)ccc2O1 ZINC000186837940 1140224496 /nfs/dbraw/zinc/22/44/96/1140224496.db2.gz KZRRTMXVNJPKJL-SFHVURJKSA-N 1 2 345.464 3.967 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCO[C@H](c4ccsc4)C3)ccc2O1 ZINC000186837940 1140224502 /nfs/dbraw/zinc/22/45/02/1140224502.db2.gz KZRRTMXVNJPKJL-SFHVURJKSA-N 1 2 345.464 3.967 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC(c2ccsc2)CC1 ZINC000186900535 1140227069 /nfs/dbraw/zinc/22/70/69/1140227069.db2.gz GBAMJYAMZMHQQU-UHFFFAOYSA-N 1 2 344.484 3.534 20 0 EHADLO CC(C)(C)c1cnc(CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)o1 ZINC000188330280 1140292008 /nfs/dbraw/zinc/29/20/08/1140292008.db2.gz LEBIEOCKJWWHIY-UHFFFAOYSA-N 1 2 338.411 3.934 20 0 EHADLO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000188367151 1140293937 /nfs/dbraw/zinc/29/39/37/1140293937.db2.gz YMQFVKCSBOBOIZ-UHFFFAOYSA-N 1 2 334.366 3.765 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189093691 1140320689 /nfs/dbraw/zinc/32/06/89/1140320689.db2.gz UNVVLRCYTOOOBO-INIZCTEOSA-N 1 2 326.375 3.551 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189093691 1140320697 /nfs/dbraw/zinc/32/06/97/1140320697.db2.gz UNVVLRCYTOOOBO-INIZCTEOSA-N 1 2 326.375 3.551 20 0 EHADLO CC(C)n1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000189740019 1140361120 /nfs/dbraw/zinc/36/11/20/1140361120.db2.gz CYTVXNFVYXNFKF-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000189975003 1140375871 /nfs/dbraw/zinc/37/58/71/1140375871.db2.gz CILDTCXOUOHDHX-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000189975003 1140375879 /nfs/dbraw/zinc/37/58/79/1140375879.db2.gz CILDTCXOUOHDHX-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1nnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190356573 1140400424 /nfs/dbraw/zinc/40/04/24/1140400424.db2.gz MQDWYCRCVOUJDZ-SECBINFHSA-N 1 2 330.215 3.584 20 0 EHADLO Cc1nnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190356573 1140400430 /nfs/dbraw/zinc/40/04/30/1140400430.db2.gz MQDWYCRCVOUJDZ-SECBINFHSA-N 1 2 330.215 3.584 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000191940789 1140494582 /nfs/dbraw/zinc/49/45/82/1140494582.db2.gz ZGHZLEYQPXLRCP-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000192250059 1140514078 /nfs/dbraw/zinc/51/40/78/1140514078.db2.gz FGJFXBRIHCRUHT-UHFFFAOYSA-N 1 2 343.471 3.623 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cc(C)cc(C)c1 ZINC000192252285 1140515346 /nfs/dbraw/zinc/51/53/46/1140515346.db2.gz VVXNPQKONYTIMA-UHFFFAOYSA-N 1 2 341.499 3.934 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnc2ccccc21 ZINC000192251633 1140515712 /nfs/dbraw/zinc/51/57/12/1140515712.db2.gz VLBIEAXFLWEENH-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccccc2)CCC1 ZINC000192258541 1140516289 /nfs/dbraw/zinc/51/62/89/1140516289.db2.gz QTAJKPIRZHQJQF-UHFFFAOYSA-N 1 2 339.483 3.806 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(C(C)C)n1 ZINC000192258931 1140516303 /nfs/dbraw/zinc/51/63/03/1140516303.db2.gz JANVAPCVKHLYKS-UHFFFAOYSA-N 1 2 334.489 3.578 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccoc1Cl ZINC000192412589 1140530696 /nfs/dbraw/zinc/53/06/96/1140530696.db2.gz DXQIVKQQISJSGO-UHFFFAOYSA-N 1 2 325.821 3.628 20 0 EHADLO C/C(=C\C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000266137316 1140646223 /nfs/dbraw/zinc/64/62/23/1140646223.db2.gz ZJFOWOODUYVNMZ-CNELAYHGSA-N 1 2 337.345 3.510 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000266517632 1140697321 /nfs/dbraw/zinc/69/73/21/1140697321.db2.gz YVHWBGYGXFSLAK-FZMZJTMJSA-N 1 2 349.887 3.951 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000266724081 1140719124 /nfs/dbraw/zinc/71/91/24/1140719124.db2.gz KEZIBYWWXHULHW-HUUCEWRRSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000266724081 1140719127 /nfs/dbraw/zinc/71/91/27/1140719127.db2.gz KEZIBYWWXHULHW-HUUCEWRRSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266944112 1140741306 /nfs/dbraw/zinc/74/13/06/1140741306.db2.gz DTFTXDXGGSFALS-UHFFFAOYSA-N 1 2 328.416 3.608 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000267105873 1140758673 /nfs/dbraw/zinc/75/86/73/1140758673.db2.gz PTZVCPDSNQXPAE-SNVBAGLBSA-N 1 2 325.334 3.547 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000267361383 1140782618 /nfs/dbraw/zinc/78/26/18/1140782618.db2.gz REPOVCKUIWBYEE-UHFFFAOYSA-N 1 2 338.238 3.763 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2n1 ZINC000267438345 1140791381 /nfs/dbraw/zinc/79/13/81/1140791381.db2.gz IQNQAGXSMHWXBN-UHFFFAOYSA-N 1 2 335.411 3.678 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000267992895 1140862517 /nfs/dbraw/zinc/86/25/17/1140862517.db2.gz YRDGQYPISQXYQP-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000267992895 1140862526 /nfs/dbraw/zinc/86/25/26/1140862526.db2.gz YRDGQYPISQXYQP-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1OCC ZINC000268191306 1140900377 /nfs/dbraw/zinc/90/03/77/1140900377.db2.gz KQJFCGLDNLEUCZ-UHFFFAOYSA-N 1 2 349.500 3.923 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000268252085 1140910072 /nfs/dbraw/zinc/91/00/72/1140910072.db2.gz KKBJXCXHSWEEQC-KRWDZBQOSA-N 1 2 325.456 3.830 20 0 EHADLO CC(C)OCc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268369271 1140928686 /nfs/dbraw/zinc/92/86/86/1140928686.db2.gz JRMPLJIABZLFJO-LPHOPBHVSA-N 1 2 341.455 3.531 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000268478469 1140944978 /nfs/dbraw/zinc/94/49/78/1140944978.db2.gz NQHZOEUPRYGTQK-LBPRGKRZSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000268478469 1140944983 /nfs/dbraw/zinc/94/49/83/1140944983.db2.gz NQHZOEUPRYGTQK-LBPRGKRZSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000268478469 1140944986 /nfs/dbraw/zinc/94/49/86/1140944986.db2.gz NQHZOEUPRYGTQK-LBPRGKRZSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000268478469 1140944990 /nfs/dbraw/zinc/94/49/90/1140944990.db2.gz NQHZOEUPRYGTQK-LBPRGKRZSA-N 1 2 345.497 3.678 20 0 EHADLO CC(C)(C)[N@H+](Cc1nnc2n1CCCCC2)Cc1ccc(F)cc1 ZINC000268509225 1140949068 /nfs/dbraw/zinc/94/90/68/1140949068.db2.gz BYYXHIGUTQXTLE-UHFFFAOYSA-N 1 2 330.451 3.944 20 0 EHADLO CC(C)(C)[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccc(F)cc1 ZINC000268509225 1140949073 /nfs/dbraw/zinc/94/90/73/1140949073.db2.gz BYYXHIGUTQXTLE-UHFFFAOYSA-N 1 2 330.451 3.944 20 0 EHADLO Cc1nc([C@H](C)[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC000269414184 1141105454 /nfs/dbraw/zinc/10/54/54/1141105454.db2.gz JXIOYISZQVXPNV-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO Clc1cccc(Cl)c1C1([NH2+]Cc2cnc3cnccn23)CC1 ZINC000269607834 1141126341 /nfs/dbraw/zinc/12/63/41/1141126341.db2.gz XZFGVSYZORYVIU-UHFFFAOYSA-N 1 2 333.222 3.815 20 0 EHADLO CC[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000269729856 1141139590 /nfs/dbraw/zinc/13/95/90/1141139590.db2.gz FYYPDWNKTGMCSL-OAHLLOKOSA-N 1 2 341.455 3.708 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269805313 1141146517 /nfs/dbraw/zinc/14/65/17/1141146517.db2.gz MFEIXBLJSFEGSD-HZPDHXFCSA-N 1 2 333.476 3.636 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000269883231 1141153872 /nfs/dbraw/zinc/15/38/72/1141153872.db2.gz ZTCDWOXKRIMDOO-SJORKVTESA-N 1 2 340.471 3.509 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270149702 1141185028 /nfs/dbraw/zinc/18/50/28/1141185028.db2.gz VFOVJZFTJUYVGY-OCCSQVGLSA-N 1 2 349.504 3.563 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270340312 1141209152 /nfs/dbraw/zinc/20/91/52/1141209152.db2.gz DSTGVVOECJOAHG-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270340312 1141209157 /nfs/dbraw/zinc/20/91/57/1141209157.db2.gz DSTGVVOECJOAHG-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO c1nc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)oc1C1CC1 ZINC000270490992 1141231104 /nfs/dbraw/zinc/23/11/04/1141231104.db2.gz GJAZUHQPFSOMFN-UHFFFAOYSA-N 1 2 340.423 3.882 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270717001 1141261298 /nfs/dbraw/zinc/26/12/98/1141261298.db2.gz WCHHOHAWHHKPME-HFTRVMKXSA-N 1 2 338.455 3.622 20 0 EHADLO CN(C)c1ncc(C[NH+](Cc2cccs2)Cc2cccs2)cn1 ZINC000271028270 1141296667 /nfs/dbraw/zinc/29/66/67/1141296667.db2.gz GAOKNTUYBFTZJH-UHFFFAOYSA-N 1 2 344.509 3.868 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)[nH]1 ZINC000271167948 1141317388 /nfs/dbraw/zinc/31/73/88/1141317388.db2.gz CQNFMYZSKHBJLJ-SFHVURJKSA-N 1 2 329.419 3.583 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)[nH]1 ZINC000271167948 1141317394 /nfs/dbraw/zinc/31/73/94/1141317394.db2.gz CQNFMYZSKHBJLJ-SFHVURJKSA-N 1 2 329.419 3.583 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271210151 1141326045 /nfs/dbraw/zinc/32/60/45/1141326045.db2.gz UIOIJXBSKATPRS-LLVKDONJSA-N 1 2 349.529 3.928 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271210151 1141326050 /nfs/dbraw/zinc/32/60/50/1141326050.db2.gz UIOIJXBSKATPRS-LLVKDONJSA-N 1 2 349.529 3.928 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000271284268 1141339261 /nfs/dbraw/zinc/33/92/61/1141339261.db2.gz CSMTYRWMOHNFGM-LJQANCHMSA-N 1 2 332.407 3.553 20 0 EHADLO CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271322839 1141345676 /nfs/dbraw/zinc/34/56/76/1141345676.db2.gz KFGQZJHYZVRBGP-MRXNPFEDSA-N 1 2 334.423 3.708 20 0 EHADLO Cc1ccc(Nc2nc(C[N@H+](C)CCc3cnccn3)cs2)cc1 ZINC000271406780 1141358776 /nfs/dbraw/zinc/35/87/76/1141358776.db2.gz YBEIYSXMMSBSSG-UHFFFAOYSA-N 1 2 339.468 3.660 20 0 EHADLO Cc1ccc(Nc2nc(C[N@@H+](C)CCc3cnccn3)cs2)cc1 ZINC000271406780 1141358782 /nfs/dbraw/zinc/35/87/82/1141358782.db2.gz YBEIYSXMMSBSSG-UHFFFAOYSA-N 1 2 339.468 3.660 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cs1 ZINC000271418016 1141361910 /nfs/dbraw/zinc/36/19/10/1141361910.db2.gz BNMJTBGYSLATBL-JQWIXIFHSA-N 1 2 338.502 3.612 20 0 EHADLO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000271583134 1141402058 /nfs/dbraw/zinc/40/20/58/1141402058.db2.gz SDIPJRUPSOIXSM-CVEARBPZSA-N 1 2 342.443 3.757 20 0 EHADLO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)c3ccccn3)nc12 ZINC000274120639 1141477573 /nfs/dbraw/zinc/47/75/73/1141477573.db2.gz AMRVIMNEJGOHMO-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000274253848 1141490088 /nfs/dbraw/zinc/49/00/88/1141490088.db2.gz SVBITWIKNMJSFS-CHWSQXEVSA-N 1 2 327.457 3.503 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CCSC(CC)(CC)C2)cs1 ZINC000274307084 1141496185 /nfs/dbraw/zinc/49/61/85/1141496185.db2.gz LKSWEKLJMHWLGM-UHFFFAOYSA-N 1 2 341.546 3.624 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CCSC(CC)(CC)C2)cs1 ZINC000274307084 1141496188 /nfs/dbraw/zinc/49/61/88/1141496188.db2.gz LKSWEKLJMHWLGM-UHFFFAOYSA-N 1 2 341.546 3.624 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000348573049 1141553594 /nfs/dbraw/zinc/55/35/94/1141553594.db2.gz VFWMQRNMPNBKCK-NVXWUHKLSA-N 1 2 343.496 3.636 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000348573049 1141553599 /nfs/dbraw/zinc/55/35/99/1141553599.db2.gz VFWMQRNMPNBKCK-NVXWUHKLSA-N 1 2 343.496 3.636 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000283143408 1141561619 /nfs/dbraw/zinc/56/16/19/1141561619.db2.gz OCROQWBJBMGPEV-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc2sccc2c1 ZINC000348835106 1141592161 /nfs/dbraw/zinc/59/21/61/1141592161.db2.gz WXWWUUIGTGSORD-UHFFFAOYSA-N 1 2 325.437 3.918 20 0 EHADLO CCCCCOc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1OC ZINC000349012589 1141622693 /nfs/dbraw/zinc/62/26/93/1141622693.db2.gz STIAYJKHCKDPKS-LJQANCHMSA-N 1 2 339.451 3.561 20 0 EHADLO CCCCCOc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1OC ZINC000349012589 1141622698 /nfs/dbraw/zinc/62/26/98/1141622698.db2.gz STIAYJKHCKDPKS-LJQANCHMSA-N 1 2 339.451 3.561 20 0 EHADLO CN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CCCCC1 ZINC000054006393 214211140 /nfs/dbraw/zinc/21/11/40/214211140.db2.gz WKHMDIOCBGDIQW-QGZVFWFLSA-N 1 2 344.434 3.623 20 0 EHADLO COC(=O)[C@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000037972037 213177400 /nfs/dbraw/zinc/17/74/00/213177400.db2.gz GYXKOKDVHHAIBU-CQSZACIVSA-N 1 2 326.234 3.586 20 0 EHADLO Cc1cccn2cc(CNC(=O)/C=C/c3nc4ccccc4s3)[nH+]c12 ZINC000078596725 217083064 /nfs/dbraw/zinc/08/30/64/217083064.db2.gz UYVNQGRNIGUUTJ-CMDGGOBGSA-N 1 2 348.431 3.582 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000079391086 217219184 /nfs/dbraw/zinc/21/91/84/217219184.db2.gz ICJMGENBSPMQBK-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000079391086 217219186 /nfs/dbraw/zinc/21/91/86/217219186.db2.gz ICJMGENBSPMQBK-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO c1[nH+]c2ccccn2c1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000579378488 563925753 /nfs/dbraw/zinc/92/57/53/563925753.db2.gz JSCJVNQJRCJEJM-INIZCTEOSA-N 1 2 337.427 3.712 20 0 EHADLO CC(C)c1csc([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)n1 ZINC000328594353 563984289 /nfs/dbraw/zinc/98/42/89/563984289.db2.gz FHUBNNQEADSUER-ZDUSSCGKSA-N 1 2 346.500 3.673 20 0 EHADLO Cc1noc([C@@H]2CC[C@H](CNc3cc(C(C)C)[nH+]c(C(C)C)n3)O2)n1 ZINC000275388603 564008786 /nfs/dbraw/zinc/00/87/86/564008786.db2.gz PHFFMGCHYWXMPX-HIFRSBDPSA-N 1 2 345.447 3.747 20 0 EHADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC2(C1)CCCCC2 ZINC000823791822 599051592 /nfs/dbraw/zinc/05/15/92/599051592.db2.gz JMVJAUXFAKBXLR-UHFFFAOYSA-N 1 2 334.427 3.576 20 0 EHADLO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1nc(C(C)(C)C)cs1 ZINC000459395787 1032059514 /nfs/dbraw/zinc/05/95/14/1032059514.db2.gz BNOZEDZKISKWFM-JTQLQIEISA-N 1 2 332.473 3.664 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1F ZINC000384310143 1125462699 /nfs/dbraw/zinc/46/26/99/1125462699.db2.gz KIXZATGOBPYZKH-QGZVFWFLSA-N 1 2 327.399 3.547 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1F ZINC000384310143 1125462705 /nfs/dbraw/zinc/46/27/05/1125462705.db2.gz KIXZATGOBPYZKH-QGZVFWFLSA-N 1 2 327.399 3.547 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000840996707 955585599 /nfs/dbraw/zinc/58/55/99/955585599.db2.gz IXNSEXLQGAQUBZ-IBGZPJMESA-N 1 2 338.451 3.528 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000840996707 955585605 /nfs/dbraw/zinc/58/56/05/955585605.db2.gz IXNSEXLQGAQUBZ-IBGZPJMESA-N 1 2 338.451 3.528 20 0 EHADLO COc1c(Br)cccc1C[NH2+][C@@H](C)c1nccs1 ZINC000090230225 1023084122 /nfs/dbraw/zinc/08/41/22/1023084122.db2.gz MZZVRKKVKOXRQN-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccn3Cc3cccs3)ccc2[nH+]1 ZINC000339273919 1014140710 /nfs/dbraw/zinc/14/07/10/1014140710.db2.gz TWOUPLGHPZMZLM-UHFFFAOYSA-N 1 2 336.420 3.806 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000343725869 1032084257 /nfs/dbraw/zinc/08/42/57/1032084257.db2.gz DXCTUUMMZOBTPR-AWEZNQCLSA-N 1 2 348.878 3.539 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000343725869 1032084273 /nfs/dbraw/zinc/08/42/73/1032084273.db2.gz DXCTUUMMZOBTPR-AWEZNQCLSA-N 1 2 348.878 3.539 20 0 EHADLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccsc2C)n1 ZINC000339291048 1014169413 /nfs/dbraw/zinc/16/94/13/1014169413.db2.gz RDGJUGRNZXPTRR-LLVKDONJSA-N 1 2 329.425 3.966 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(CSC)s1)c1ccc(F)cc1 ZINC000339292484 1014171475 /nfs/dbraw/zinc/17/14/75/1014171475.db2.gz YRBDSVCIHLDELZ-AWEZNQCLSA-N 1 2 326.462 3.623 20 0 EHADLO CCc1nocc1CNC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000339365863 1014285091 /nfs/dbraw/zinc/28/50/91/1014285091.db2.gz XUHPLELMGYYQHG-MRXNPFEDSA-N 1 2 341.377 3.648 20 0 EHADLO OC[C@]1(F)CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000349022769 1014306348 /nfs/dbraw/zinc/30/63/48/1014306348.db2.gz DPZDQEMJPHRTTM-KRWDZBQOSA-N 1 2 325.330 3.521 20 0 EHADLO OC[C@]1(F)CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000349022769 1014306357 /nfs/dbraw/zinc/30/63/57/1014306357.db2.gz DPZDQEMJPHRTTM-KRWDZBQOSA-N 1 2 325.330 3.521 20 0 EHADLO O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430143435 1014317307 /nfs/dbraw/zinc/31/73/07/1014317307.db2.gz AMDPWXYGGMKZND-FQEVSTJZSA-N 1 2 347.418 3.905 20 0 EHADLO CNc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000616363115 1014376651 /nfs/dbraw/zinc/37/66/51/1014376651.db2.gz HWTFDASUSFTTIE-UHFFFAOYSA-N 1 2 337.345 3.689 20 0 EHADLO Cc1ccsc1[C@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000274640243 1014386085 /nfs/dbraw/zinc/38/60/85/1014386085.db2.gz QZYOGFMYXMOGBM-ZDUSSCGKSA-N 1 2 328.441 3.604 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000430149278 1014422481 /nfs/dbraw/zinc/42/24/81/1014422481.db2.gz MQRZTMLALXLLDV-OAHLLOKOSA-N 1 2 342.462 3.624 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000430149278 1014422485 /nfs/dbraw/zinc/42/24/85/1014422485.db2.gz MQRZTMLALXLLDV-OAHLLOKOSA-N 1 2 342.462 3.624 20 0 EHADLO CCCOc1ccc(Br)cc1C[NH2+]Cc1cc(C)no1 ZINC000044986643 1033568596 /nfs/dbraw/zinc/56/85/96/1033568596.db2.gz GCWOJCKPIXWVIL-UHFFFAOYSA-N 1 2 339.233 3.824 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339444902 1014499590 /nfs/dbraw/zinc/49/95/90/1014499590.db2.gz QKPZRCZOIRXSKK-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000339444902 1014499593 /nfs/dbraw/zinc/49/95/93/1014499593.db2.gz QKPZRCZOIRXSKK-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497233 1032093409 /nfs/dbraw/zinc/09/34/09/1032093409.db2.gz AMTQLYUZGYSSTI-IAGOWNOFSA-N 1 2 341.455 3.718 20 0 EHADLO CC(C)n1cc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000339461293 1014515952 /nfs/dbraw/zinc/51/59/52/1014515952.db2.gz HDHHSEPDWHPAJN-SNVBAGLBSA-N 1 2 341.228 3.611 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339469341 1014532001 /nfs/dbraw/zinc/53/20/01/1014532001.db2.gz JNTICNCWDMAIPG-SZMVWBNQSA-N 1 2 325.456 3.566 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000339471604 1014537213 /nfs/dbraw/zinc/53/72/13/1014537213.db2.gz XXBPAIYIXQAGMA-FUHWJXTLSA-N 1 2 325.456 3.628 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000339471428 1014538199 /nfs/dbraw/zinc/53/81/99/1014538199.db2.gz WZZXNOMEQMZOMQ-ACBHZAAOSA-N 1 2 337.467 3.710 20 0 EHADLO Cc1nc2ccc(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)cc2s1 ZINC000683158502 1014604125 /nfs/dbraw/zinc/60/41/25/1014604125.db2.gz IPOOOCRUYREGMT-UHFFFAOYSA-N 1 2 345.512 3.685 20 0 EHADLO CC1(C)C[C@H]([NH2+]CC2(C(=O)[O-])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000901783436 980513198 /nfs/dbraw/zinc/51/31/98/980513198.db2.gz KUFCXNVIZGFJHS-SFHVURJKSA-N 1 2 344.499 3.664 20 0 EHADLO CC1(C)C[C@H]([NH2+]CC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000901783436 980513202 /nfs/dbraw/zinc/51/32/02/980513202.db2.gz KUFCXNVIZGFJHS-SFHVURJKSA-N 1 2 344.499 3.664 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cnc21 ZINC000153954850 1014664819 /nfs/dbraw/zinc/66/48/19/1014664819.db2.gz IGSYTAYQNUKTLQ-UHFFFAOYSA-N 1 2 346.475 3.564 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cnc21 ZINC000153954850 1014664830 /nfs/dbraw/zinc/66/48/30/1014664830.db2.gz IGSYTAYQNUKTLQ-UHFFFAOYSA-N 1 2 346.475 3.564 20 0 EHADLO CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001594787537 981822318 /nfs/dbraw/zinc/82/23/18/981822318.db2.gz HKONIRFUYDJHBY-FQEVSTJZSA-N 1 2 341.455 3.646 20 0 EHADLO CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001594787537 981822328 /nfs/dbraw/zinc/82/23/28/981822328.db2.gz HKONIRFUYDJHBY-FQEVSTJZSA-N 1 2 341.455 3.646 20 0 EHADLO CCCCn1nnnc1C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747572 1014874702 /nfs/dbraw/zinc/87/47/02/1014874702.db2.gz PQHAHEPWNMAZCX-UHFFFAOYSA-N 1 2 339.487 3.692 20 0 EHADLO CCCCn1nnnc1C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747572 1014874712 /nfs/dbraw/zinc/87/47/12/1014874712.db2.gz PQHAHEPWNMAZCX-UHFFFAOYSA-N 1 2 339.487 3.692 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000655105138 1015009645 /nfs/dbraw/zinc/00/96/45/1015009645.db2.gz JIYCYBDOSUFCEM-ZDUSSCGKSA-N 1 2 331.847 3.523 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000655105138 1015009659 /nfs/dbraw/zinc/00/96/59/1015009659.db2.gz JIYCYBDOSUFCEM-ZDUSSCGKSA-N 1 2 331.847 3.523 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@H]3F)cs2)cc1 ZINC000339587276 1015085992 /nfs/dbraw/zinc/08/59/92/1015085992.db2.gz OYQYYPLNBJLJGN-CVEARBPZSA-N 1 2 336.432 3.711 20 0 EHADLO CC1CC[NH+](CC(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000121259959 1015113297 /nfs/dbraw/zinc/11/32/97/1015113297.db2.gz FMQJDXUBFZEACN-UHFFFAOYSA-N 1 2 348.443 3.671 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677731786 1033613052 /nfs/dbraw/zinc/61/30/52/1033613052.db2.gz ODEARCQJPMUDQX-DTWKUNHWSA-N 1 2 337.197 3.907 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677731786 1033613058 /nfs/dbraw/zinc/61/30/58/1033613058.db2.gz ODEARCQJPMUDQX-DTWKUNHWSA-N 1 2 337.197 3.907 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000547688176 1015197474 /nfs/dbraw/zinc/19/74/74/1015197474.db2.gz ATXSJQZQVDVZKZ-LNLFQRSKSA-N 1 2 347.503 3.609 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000471168877 1015221371 /nfs/dbraw/zinc/22/13/71/1015221371.db2.gz LNSNWPQAXFFKSU-MRXNPFEDSA-N 1 2 330.815 3.734 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000471168877 1015221375 /nfs/dbraw/zinc/22/13/75/1015221375.db2.gz LNSNWPQAXFFKSU-MRXNPFEDSA-N 1 2 330.815 3.734 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000655208719 1015229783 /nfs/dbraw/zinc/22/97/83/1015229783.db2.gz MPYSOUMSTBHQEB-ICSRJNTNSA-N 1 2 346.434 3.676 20 0 EHADLO CCc1cccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC001266300042 1015320129 /nfs/dbraw/zinc/32/01/29/1015320129.db2.gz DJQLKKDSJRAUEA-UHFFFAOYSA-N 1 2 344.418 3.812 20 0 EHADLO Cc1oc2ccc(NC(=O)NCc3cn4c([nH+]3)CCCC4)cc2c1C ZINC000274823826 1015445083 /nfs/dbraw/zinc/44/50/83/1015445083.db2.gz BYJDCPHOUSWEAU-UHFFFAOYSA-N 1 2 338.411 3.904 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179564842 1015454239 /nfs/dbraw/zinc/45/42/39/1015454239.db2.gz UINONIZOZYSFDV-LBPRGKRZSA-N 1 2 328.366 3.733 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179564842 1015454246 /nfs/dbraw/zinc/45/42/46/1015454246.db2.gz UINONIZOZYSFDV-LBPRGKRZSA-N 1 2 328.366 3.733 20 0 EHADLO CCc1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798352 989364050 /nfs/dbraw/zinc/36/40/50/989364050.db2.gz BLHBMPURNZJGPH-HZPDHXFCSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798352 989364061 /nfs/dbraw/zinc/36/40/61/989364061.db2.gz BLHBMPURNZJGPH-HZPDHXFCSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798352 989364071 /nfs/dbraw/zinc/36/40/71/989364071.db2.gz BLHBMPURNZJGPH-HZPDHXFCSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798352 989364085 /nfs/dbraw/zinc/36/40/85/989364085.db2.gz BLHBMPURNZJGPH-HZPDHXFCSA-N 1 2 348.487 3.627 20 0 EHADLO CCSCc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339655260 1015470869 /nfs/dbraw/zinc/47/08/69/1015470869.db2.gz YJLHCBDMUZVPJN-OAHLLOKOSA-N 1 2 344.484 3.695 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc3ccccc32)on1 ZINC000047273875 1015477314 /nfs/dbraw/zinc/47/73/14/1015477314.db2.gz DCEWBRMGNGSDPT-GOSISDBHSA-N 1 2 335.407 3.912 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc3ccccc32)on1 ZINC000047273875 1015477321 /nfs/dbraw/zinc/47/73/21/1015477321.db2.gz DCEWBRMGNGSDPT-GOSISDBHSA-N 1 2 335.407 3.912 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C)o1 ZINC000179610531 1015483608 /nfs/dbraw/zinc/48/36/08/1015483608.db2.gz KWSVSMGZOYBHCQ-UHFFFAOYSA-N 1 2 340.345 3.856 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C)o1 ZINC000179610531 1015483614 /nfs/dbraw/zinc/48/36/14/1015483614.db2.gz KWSVSMGZOYBHCQ-UHFFFAOYSA-N 1 2 340.345 3.856 20 0 EHADLO c1ccc2oc(C[NH+]3CCN(c4ccc5ccccc5n4)CC3)nc2c1 ZINC000471206634 1015634898 /nfs/dbraw/zinc/63/48/98/1015634898.db2.gz FMZYAGPKYAPIGV-UHFFFAOYSA-N 1 2 344.418 3.698 20 0 EHADLO CCc1nc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)sc1C(C)(C)C ZINC000655437609 1015725829 /nfs/dbraw/zinc/72/58/29/1015725829.db2.gz UKRPHXZJVKEJMY-JTQLQIEISA-N 1 2 332.473 3.785 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179940804 1015762265 /nfs/dbraw/zinc/76/22/65/1015762265.db2.gz YQUCEOMFAKKJKV-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179940804 1015762268 /nfs/dbraw/zinc/76/22/68/1015762268.db2.gz YQUCEOMFAKKJKV-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000045571982 1015771889 /nfs/dbraw/zinc/77/18/89/1015771889.db2.gz OUSLGCQLNKSKKL-QGZVFWFLSA-N 1 2 344.846 3.597 20 0 EHADLO OC[C@H]([NH2+]Cc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000547744070 1015780731 /nfs/dbraw/zinc/78/07/31/1015780731.db2.gz SKPKWVYFZNEPGF-HNNXBMFYSA-N 1 2 331.284 3.807 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510150759 1015796993 /nfs/dbraw/zinc/79/69/93/1015796993.db2.gz ISVFBZGLKWHTGC-SFHVURJKSA-N 1 2 329.488 3.727 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000180052672 1015845137 /nfs/dbraw/zinc/84/51/37/1015845137.db2.gz RSNCXKZRZYHWPM-ULQDDVLXSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCN(c4ccc(O)cc4)CC3)nc2c1 ZINC000528340008 1032135511 /nfs/dbraw/zinc/13/55/11/1032135511.db2.gz ITYWWHJRCGCVKV-UHFFFAOYSA-N 1 2 339.464 3.633 20 0 EHADLO C/C(=C\C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000081318786 1016051721 /nfs/dbraw/zinc/05/17/21/1016051721.db2.gz JHRVTUUGUZPCBL-LCJXNMAOSA-N 1 2 325.456 3.813 20 0 EHADLO Cc1ccc2nc(N3CCC(n4cc[nH+]c4)CC3)c(Cl)nc2c1 ZINC001167123620 1016188238 /nfs/dbraw/zinc/18/82/38/1016188238.db2.gz DXUZWAHSSAWDTM-UHFFFAOYSA-N 1 2 327.819 3.630 20 0 EHADLO Clc1ccc2nc(N3CCC(n4cc[nH+]c4)CC3)c(Cl)nc2c1 ZINC001167123988 1016191898 /nfs/dbraw/zinc/19/18/98/1016191898.db2.gz OLUAUROWAHICDK-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3csc(C4CC4)n3)CC2)cc1 ZINC000340129320 1016375373 /nfs/dbraw/zinc/37/53/73/1016375373.db2.gz LNNRUBPBHHMWOC-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2)s1)[C@H](CCO)c1ccccc1 ZINC000155279297 1016409348 /nfs/dbraw/zinc/40/93/48/1016409348.db2.gz ZEDLHNOEJIHXJI-QGZVFWFLSA-N 1 2 339.464 3.761 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@H](CCO)c1ccccc1 ZINC000155279297 1016409356 /nfs/dbraw/zinc/40/93/56/1016409356.db2.gz ZEDLHNOEJIHXJI-QGZVFWFLSA-N 1 2 339.464 3.761 20 0 EHADLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171328 1016458321 /nfs/dbraw/zinc/45/83/21/1016458321.db2.gz BJSGNVNLDTUWHM-NSHDSACASA-N 1 2 340.880 3.638 20 0 EHADLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171328 1016458331 /nfs/dbraw/zinc/45/83/31/1016458331.db2.gz BJSGNVNLDTUWHM-NSHDSACASA-N 1 2 340.880 3.638 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CCC1 ZINC000361347930 1016491412 /nfs/dbraw/zinc/49/14/12/1016491412.db2.gz FTKMJZBDPQGOAW-INIZCTEOSA-N 1 2 343.389 3.895 20 0 EHADLO COCC1(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CCC1 ZINC000361347930 1016491418 /nfs/dbraw/zinc/49/14/18/1016491418.db2.gz FTKMJZBDPQGOAW-INIZCTEOSA-N 1 2 343.389 3.895 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2cccc(Cl)c2)c2nnc[nH]2)cc1 ZINC000340178489 1016601842 /nfs/dbraw/zinc/60/18/42/1016601842.db2.gz PWAAZDKXYKEASH-MRXNPFEDSA-N 1 2 330.794 3.519 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000580208467 1016623493 /nfs/dbraw/zinc/62/34/93/1016623493.db2.gz CNTQDILDARGYQM-OAHLLOKOSA-N 1 2 335.860 3.698 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025442376 1016703192 /nfs/dbraw/zinc/70/31/92/1016703192.db2.gz XLCZVXWXRQEOAV-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025442376 1016703204 /nfs/dbraw/zinc/70/32/04/1016703204.db2.gz XLCZVXWXRQEOAV-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)O1 ZINC000340215076 1016712954 /nfs/dbraw/zinc/71/29/54/1016712954.db2.gz BHFASZBXQNDUSF-GOSISDBHSA-N 1 2 335.407 3.822 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)O1 ZINC000340215076 1016712966 /nfs/dbraw/zinc/71/29/66/1016712966.db2.gz BHFASZBXQNDUSF-GOSISDBHSA-N 1 2 335.407 3.822 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)o1 ZINC000340215076 1016712982 /nfs/dbraw/zinc/71/29/82/1016712982.db2.gz BHFASZBXQNDUSF-GOSISDBHSA-N 1 2 335.407 3.822 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)o1 ZINC000340215076 1016712991 /nfs/dbraw/zinc/71/29/91/1016712991.db2.gz BHFASZBXQNDUSF-GOSISDBHSA-N 1 2 335.407 3.822 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cccc3c2OC(C)(C)C3)oc1C ZINC000340283352 1016847053 /nfs/dbraw/zinc/84/70/53/1016847053.db2.gz RVQYRWFBTMEHST-UHFFFAOYSA-N 1 2 343.423 3.720 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc3c2OC(C)(C)C3)oc1C ZINC000340283352 1016847069 /nfs/dbraw/zinc/84/70/69/1016847069.db2.gz RVQYRWFBTMEHST-UHFFFAOYSA-N 1 2 343.423 3.720 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(F)c2)C[C@H](C)O1 ZINC000046342151 1016857965 /nfs/dbraw/zinc/85/79/65/1016857965.db2.gz WSJUYHFAMHFCPB-GJZGRUSLSA-N 1 2 342.414 3.687 20 0 EHADLO CCOCOc1ccc(CNc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC000782964976 1016880032 /nfs/dbraw/zinc/88/00/32/1016880032.db2.gz VDIGGFCKKPRQQZ-UHFFFAOYSA-N 1 2 329.444 3.913 20 0 EHADLO Cc1cccc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1C ZINC000706036058 1016895948 /nfs/dbraw/zinc/89/59/48/1016895948.db2.gz PIIHLKSXYHKVLU-MAUKXSAKSA-N 1 2 337.423 3.959 20 0 EHADLO Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cs2)cc1 ZINC000275484401 1016901490 /nfs/dbraw/zinc/90/14/90/1016901490.db2.gz OQFQXEUYSJIXMN-INIZCTEOSA-N 1 2 331.485 3.788 20 0 EHADLO Cc1ccc(Nc2nc(C[N@H+]3CC[C@H](O)C(C)(C)C3)cs2)cc1 ZINC000275484401 1016901503 /nfs/dbraw/zinc/90/15/03/1016901503.db2.gz OQFQXEUYSJIXMN-INIZCTEOSA-N 1 2 331.485 3.788 20 0 EHADLO CCCOc1c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cccc1OCC ZINC000121232238 1016973159 /nfs/dbraw/zinc/97/31/59/1016973159.db2.gz ROCURSWFPVLDNH-INIZCTEOSA-N 1 2 343.471 3.977 20 0 EHADLO CCCOc1c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cccc1OCC ZINC000121232238 1016973170 /nfs/dbraw/zinc/97/31/70/1016973170.db2.gz ROCURSWFPVLDNH-INIZCTEOSA-N 1 2 343.471 3.977 20 0 EHADLO Fc1ccc(C(F)(F)F)c(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c1 ZINC000923821403 1032152952 /nfs/dbraw/zinc/15/29/52/1032152952.db2.gz POVVONGEIFNXIL-RKDXNWHRSA-N 1 2 338.264 3.889 20 0 EHADLO CC1(C)CC(C)(C)c2cc(NC(=O)NCCn3cc[nH+]c3)ccc21 ZINC000340357502 1017025913 /nfs/dbraw/zinc/02/59/13/1017025913.db2.gz GJGJKHWOYLKCIH-UHFFFAOYSA-N 1 2 326.444 3.664 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340370716 1017052298 /nfs/dbraw/zinc/05/22/98/1017052298.db2.gz OEPOSQOFUTVGRW-QWFMPGPPSA-N 1 2 346.450 3.607 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000538142983 1032163730 /nfs/dbraw/zinc/16/37/30/1032163730.db2.gz COWORFXHKIGLJA-JTQLQIEISA-N 1 2 341.379 3.987 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000183420339 1032170553 /nfs/dbraw/zinc/17/05/53/1032170553.db2.gz JNHQLMFMNRDLCI-UHFFFAOYSA-N 1 2 348.446 3.752 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000183420339 1032170570 /nfs/dbraw/zinc/17/05/70/1032170570.db2.gz JNHQLMFMNRDLCI-UHFFFAOYSA-N 1 2 348.446 3.752 20 0 EHADLO CCOc1cc(-c2noc([C@@H]([NH3+])C[C@H](C)CC)n2)cc(Cl)c1O ZINC000904682327 1032179417 /nfs/dbraw/zinc/17/94/17/1032179417.db2.gz BJXVUBINQHHXCD-SKDRFNHKSA-N 1 2 339.823 3.930 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCc3ccsc3C2)[C@H]1c1ccccc1 ZINC000760289142 1032223027 /nfs/dbraw/zinc/22/30/27/1032223027.db2.gz VZFYVTHTGDRCCB-KRWDZBQOSA-N 1 2 326.465 3.673 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCc3ccsc3C2)[C@H]1c1ccccc1 ZINC000760289142 1032223037 /nfs/dbraw/zinc/22/30/37/1032223037.db2.gz VZFYVTHTGDRCCB-KRWDZBQOSA-N 1 2 326.465 3.673 20 0 EHADLO CSc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184027567 1032225583 /nfs/dbraw/zinc/22/55/83/1032225583.db2.gz BUKAJQUGVJSPIZ-UHFFFAOYSA-N 1 2 342.468 3.548 20 0 EHADLO Fc1ccc(Br)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959228 1032230156 /nfs/dbraw/zinc/23/01/56/1032230156.db2.gz DLTLUDPNJJEGPQ-NSHDSACASA-N 1 2 338.224 3.691 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459524010 1032245509 /nfs/dbraw/zinc/24/55/09/1032245509.db2.gz HGIXXEGMEBVYJS-LJQANCHMSA-N 1 2 343.471 3.796 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143485808 1017251560 /nfs/dbraw/zinc/25/15/60/1017251560.db2.gz LVKMBZWRKVSNNE-MWLCHTKSSA-N 1 2 341.295 3.943 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143485808 1017251565 /nfs/dbraw/zinc/25/15/65/1017251565.db2.gz LVKMBZWRKVSNNE-MWLCHTKSSA-N 1 2 341.295 3.943 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528411287 1032249253 /nfs/dbraw/zinc/24/92/53/1032249253.db2.gz WUSSLPZBKDOWQL-YJBOKZPZSA-N 1 2 330.447 3.611 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2ncc(C3CC3)o2)c2ccccc2)CCCC1 ZINC000459550378 1032268425 /nfs/dbraw/zinc/26/84/25/1032268425.db2.gz XUAVWVKIBTYPKB-IBGZPJMESA-N 1 2 326.440 3.936 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCC23CC3)c1)[NH+]1CCOCC1 ZINC000528421928 1032273049 /nfs/dbraw/zinc/27/30/49/1032273049.db2.gz HAEDIJCCJZWHOA-CRAIPNDOSA-N 1 2 328.456 3.599 20 0 EHADLO CC(=O)[C@@H]1C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1(C)C ZINC000584376256 1032287282 /nfs/dbraw/zinc/28/72/82/1032287282.db2.gz FVIKEGBFIHZSJW-JKSUJKDBSA-N 1 2 336.395 3.641 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)Cc1cccc(F)c1 ZINC000081338560 1032299324 /nfs/dbraw/zinc/29/93/24/1032299324.db2.gz CRAODWFYSKMHMV-GDBMZVCRSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)Cc1cccc(F)c1 ZINC000081338558 1032299635 /nfs/dbraw/zinc/29/96/35/1032299635.db2.gz CRAODWFYSKMHMV-ZBFHGGJFSA-N 1 2 329.419 3.524 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000485104415 1032307483 /nfs/dbraw/zinc/30/74/83/1032307483.db2.gz UDQZLCBWHQWCIB-KRWDZBQOSA-N 1 2 342.508 3.580 20 0 EHADLO CC(C)NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459589467 1032309925 /nfs/dbraw/zinc/30/99/25/1032309925.db2.gz IZELWSIDDGRPFB-INIZCTEOSA-N 1 2 348.878 3.658 20 0 EHADLO CC(C)NC(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459589467 1032309929 /nfs/dbraw/zinc/30/99/29/1032309929.db2.gz IZELWSIDDGRPFB-INIZCTEOSA-N 1 2 348.878 3.658 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1ccccc1F)CC1CC1 ZINC000666132099 1032384154 /nfs/dbraw/zinc/38/41/54/1032384154.db2.gz QCNFDJGXDHNGRH-UHFFFAOYSA-N 1 2 338.386 3.918 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195214984 1032389604 /nfs/dbraw/zinc/38/96/04/1032389604.db2.gz PSKPEHMROOCZBW-HNNXBMFYSA-N 1 2 341.455 3.732 20 0 EHADLO OCC1([N@H+](Cc2nnc(C3CC3)s2)Cc2ccccc2)CCCC1 ZINC000528518303 1032395599 /nfs/dbraw/zinc/39/55/99/1032395599.db2.gz KELDOLBQAGNRPC-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO OCC1([N@@H+](Cc2nnc(C3CC3)s2)Cc2ccccc2)CCCC1 ZINC000528518303 1032395611 /nfs/dbraw/zinc/39/56/11/1032395611.db2.gz KELDOLBQAGNRPC-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000083229212 1032391787 /nfs/dbraw/zinc/39/17/87/1032391787.db2.gz MMXLOUFJLCTSTK-IRXDYDNUSA-N 1 2 348.450 3.864 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000683522489 1017257776 /nfs/dbraw/zinc/25/77/76/1017257776.db2.gz KZPFYPOVLXCIRY-GFCCVEGCSA-N 1 2 342.283 3.644 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)nc2cc(Cl)ccc12 ZINC000683525642 1017260375 /nfs/dbraw/zinc/26/03/75/1017260375.db2.gz YMNZVLFATZFTOO-SECBINFHSA-N 1 2 345.752 3.763 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)nc2cc(Cl)ccc12 ZINC000683525642 1017260382 /nfs/dbraw/zinc/26/03/82/1017260382.db2.gz YMNZVLFATZFTOO-SECBINFHSA-N 1 2 345.752 3.763 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1c[nH]nc1-c1ccccc1 ZINC000538500380 1032400635 /nfs/dbraw/zinc/40/06/35/1032400635.db2.gz AYTGBJFHSSFZHW-UHFFFAOYSA-N 1 2 337.814 3.651 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3ccccc3OC(C)C)[nH+]c12 ZINC000083952956 1032408413 /nfs/dbraw/zinc/40/84/13/1032408413.db2.gz QNNWBWXIBQTYPG-XMMPIXPASA-N 1 2 342.464 3.879 20 0 EHADLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000459707677 1032413309 /nfs/dbraw/zinc/41/33/09/1032413309.db2.gz JQYKQWLFOHQWAP-HNNXBMFYSA-N 1 2 338.879 3.786 20 0 EHADLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000459707677 1032413316 /nfs/dbraw/zinc/41/33/16/1032413316.db2.gz JQYKQWLFOHQWAP-HNNXBMFYSA-N 1 2 338.879 3.786 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(Br)c1F)C1CC1 ZINC000449323508 1032453460 /nfs/dbraw/zinc/45/34/60/1032453460.db2.gz VUKQUMYGBHIRGH-CQSZACIVSA-N 1 2 338.224 3.563 20 0 EHADLO Cc1[nH+]c(NCc2ncc(C(C)(C)C)s2)ccc1-c1cnn(C)c1 ZINC000449347226 1032463622 /nfs/dbraw/zinc/46/36/22/1032463622.db2.gz PTBJVTWHAWDXRH-UHFFFAOYSA-N 1 2 341.484 3.579 20 0 EHADLO COc1nccc(C[NH2+]Cc2c(Cl)cccc2SC(C)C)n1 ZINC000449373423 1032488545 /nfs/dbraw/zinc/48/85/45/1032488545.db2.gz RHKQWNKZOFNBFO-UHFFFAOYSA-N 1 2 337.876 3.929 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000086399863 1032485390 /nfs/dbraw/zinc/48/53/90/1032485390.db2.gz ZLLAGVMFXAJMED-OAHLLOKOSA-N 1 2 326.444 3.591 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H](C)c1ccco1 ZINC000528622799 1032502560 /nfs/dbraw/zinc/50/25/60/1032502560.db2.gz HSKPDCZTMIXYDK-MRXNPFEDSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCOc4ccccc4[C@H]3C)ccc2[nH+]1 ZINC000665950990 1032510185 /nfs/dbraw/zinc/51/01/85/1032510185.db2.gz BPBBESOSCCJJJO-CQSZACIVSA-N 1 2 336.395 3.630 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(F)cc(F)c2)sc1Br ZINC000449399456 1032522549 /nfs/dbraw/zinc/52/25/49/1032522549.db2.gz AVGLIPRJRXHGFT-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO Cc1noc(C23CC(C2)C[N@@H+]3CCOc2ccc3ccccc3c2)n1 ZINC000528633163 1032529324 /nfs/dbraw/zinc/52/93/24/1032529324.db2.gz FFOCCWWFXSBGPJ-UHFFFAOYSA-N 1 2 335.407 3.531 20 0 EHADLO Cc1noc(C23CC(C2)C[N@H+]3CCOc2ccc3ccccc3c2)n1 ZINC000528633163 1032529330 /nfs/dbraw/zinc/52/93/30/1032529330.db2.gz FFOCCWWFXSBGPJ-UHFFFAOYSA-N 1 2 335.407 3.531 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)c2ccccc2O1 ZINC000449429558 1032545438 /nfs/dbraw/zinc/54/54/38/1032545438.db2.gz WXBHZXHZSJGCES-VQIMIIECSA-N 1 2 333.435 3.933 20 0 EHADLO OC[C@]1(F)C[N@H+](C/C=C/c2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000449431021 1032548671 /nfs/dbraw/zinc/54/86/71/1032548671.db2.gz XBKWVXGLEHJWKC-JQVKTCLLSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@]1(F)C[N@@H+](C/C=C/c2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000449431021 1032548676 /nfs/dbraw/zinc/54/86/76/1032548676.db2.gz XBKWVXGLEHJWKC-JQVKTCLLSA-N 1 2 347.380 3.778 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1F ZINC000528676913 1032569059 /nfs/dbraw/zinc/56/90/59/1032569059.db2.gz WPWPSSWYNIIAOI-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccco3)no2)cc1F ZINC000528676481 1032564024 /nfs/dbraw/zinc/56/40/24/1032564024.db2.gz VZEYGWHEEZCLRB-UHFFFAOYSA-N 1 2 331.347 3.502 20 0 EHADLO C[N@H+](Cc1cccc(F)c1Br)[C@H](CO)c1ccccc1 ZINC000449448657 1032564433 /nfs/dbraw/zinc/56/44/33/1032564433.db2.gz AAAOPNLDUCZKOF-OAHLLOKOSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1cccc(F)c1Br)[C@H](CO)c1ccccc1 ZINC000449448657 1032564441 /nfs/dbraw/zinc/56/44/41/1032564441.db2.gz AAAOPNLDUCZKOF-OAHLLOKOSA-N 1 2 338.220 3.754 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1ncccc1F ZINC000090721218 1032593224 /nfs/dbraw/zinc/59/32/24/1032593224.db2.gz FRKZYANAEVCLET-CYBMUJFWSA-N 1 2 339.183 3.899 20 0 EHADLO COC(=O)c1c(CC(C)C)csc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593027238 1032632706 /nfs/dbraw/zinc/63/27/06/1032632706.db2.gz RVYLVFNXXZOEQI-LBPRGKRZSA-N 1 2 349.456 3.520 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000606365568 1032652233 /nfs/dbraw/zinc/65/22/33/1032652233.db2.gz CTGMDJVCXMALJF-QFBILLFUSA-N 1 2 325.456 3.803 20 0 EHADLO C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000606413343 1032666325 /nfs/dbraw/zinc/66/63/25/1032666325.db2.gz PUIZGMFZOXGRGF-OAHLLOKOSA-N 1 2 349.409 3.830 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc2cc[nH]c21 ZINC000547851547 1017080922 /nfs/dbraw/zinc/08/09/22/1017080922.db2.gz NWWLRXCAMZSWSW-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677042 1032683308 /nfs/dbraw/zinc/68/33/08/1032683308.db2.gz SPBOQBVZVTWJRE-VMPITWQZSA-N 1 2 346.883 3.759 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1nc2ccc(Cl)cc2n1C ZINC000091309029 1032684377 /nfs/dbraw/zinc/68/43/77/1032684377.db2.gz TWOLKIJLGLHVOY-SNVBAGLBSA-N 1 2 345.859 3.787 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000683522489 1017257767 /nfs/dbraw/zinc/25/77/67/1017257767.db2.gz KZPFYPOVLXCIRY-GFCCVEGCSA-N 1 2 342.283 3.644 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000683520659 1017257615 /nfs/dbraw/zinc/25/76/15/1017257615.db2.gz JXPLTBLYJYHGOF-NVXWUHKLSA-N 1 2 343.858 3.853 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2csc(C3CC3)n2)c2cc(N)ccc2O1 ZINC000415029633 1017426784 /nfs/dbraw/zinc/42/67/84/1017426784.db2.gz DZVVPBUVIQWJJL-OAHLLOKOSA-N 1 2 329.469 3.995 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000606450854 1032694203 /nfs/dbraw/zinc/69/42/03/1032694203.db2.gz UNPWNDIURRGJKA-GPMSIDNRSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000606450854 1032694212 /nfs/dbraw/zinc/69/42/12/1032694212.db2.gz UNPWNDIURRGJKA-GPMSIDNRSA-N 1 2 344.474 3.926 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3ccccc3-n3cc[nH+]c3)coc2c1 ZINC000091212076 1032700639 /nfs/dbraw/zinc/70/06/39/1032700639.db2.gz ZRRDNGFEWUDABX-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(F)ccc1Cl ZINC000340408261 1017466356 /nfs/dbraw/zinc/46/63/56/1017466356.db2.gz IIAATJLGCFPBJX-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334351 1017489065 /nfs/dbraw/zinc/48/90/65/1017489065.db2.gz QBHJAJIZACJENM-IAGOWNOFSA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334351 1017489074 /nfs/dbraw/zinc/48/90/74/1017489074.db2.gz QBHJAJIZACJENM-IAGOWNOFSA-N 1 2 327.827 3.668 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCCOC(C)(C)C3)nc(=O)c2c1C ZINC000377252889 1017534751 /nfs/dbraw/zinc/53/47/51/1017534751.db2.gz BTKUUYQWZDRMDE-LLVKDONJSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+]3CCCOC(C)(C)C3)nc(=O)c2c1C ZINC000377252889 1017534760 /nfs/dbraw/zinc/53/47/60/1017534760.db2.gz BTKUUYQWZDRMDE-LLVKDONJSA-N 1 2 335.473 3.576 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccncc2)CC1 ZINC000377258332 1017540571 /nfs/dbraw/zinc/54/05/71/1017540571.db2.gz RRGJRDGMKUGCSB-OAHLLOKOSA-N 1 2 340.475 3.514 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccnc1OC(C)C ZINC000377264996 1017554874 /nfs/dbraw/zinc/55/48/74/1017554874.db2.gz KYFULYMOSOPNIP-UHFFFAOYSA-N 1 2 336.395 3.820 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377273972 1017558409 /nfs/dbraw/zinc/55/84/09/1017558409.db2.gz UERNQTSDEKDMNK-UHFFFAOYSA-N 1 2 331.485 3.980 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377273972 1017558440 /nfs/dbraw/zinc/55/84/40/1017558440.db2.gz UERNQTSDEKDMNK-UHFFFAOYSA-N 1 2 331.485 3.980 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000547953352 1017582234 /nfs/dbraw/zinc/58/22/34/1017582234.db2.gz OYALYBVWVKYKIJ-NVXWUHKLSA-N 1 2 346.862 3.548 20 0 EHADLO C([NH2+][C@H]1CCCC[C@H]1C1CCCCC1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000655796157 1017633394 /nfs/dbraw/zinc/63/33/94/1017633394.db2.gz GMANXHQZYXDJFR-YESZJQIVSA-N 1 2 332.492 3.885 20 0 EHADLO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655799488 1017640448 /nfs/dbraw/zinc/64/04/48/1017640448.db2.gz GTFTYLVYEPKNSE-BWSDNOOPSA-N 1 2 344.503 3.741 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365551731 1017650318 /nfs/dbraw/zinc/65/03/18/1017650318.db2.gz IJVGCQMBNNLZOD-ROUUACIJSA-N 1 2 340.471 3.706 20 0 EHADLO Cc1nnc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)n1C1CC1 ZINC000375620940 1017681248 /nfs/dbraw/zinc/68/12/48/1017681248.db2.gz ZYPZPEHIXCPAAG-LJQANCHMSA-N 1 2 346.425 3.983 20 0 EHADLO CC(=Cc1ccc(Cl)cc1)C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655818625 1017682801 /nfs/dbraw/zinc/68/28/01/1017682801.db2.gz MLYFXNLMSLJDCD-RZXPCSSPSA-N 1 2 332.835 3.503 20 0 EHADLO CCOC(=O)c1cnc(Cl)c(Nc2c[nH+]c(C)c(N)c2)c1Cl ZINC001210287017 1017741624 /nfs/dbraw/zinc/74/16/24/1017741624.db2.gz JOXFXFVEVUXUSB-UHFFFAOYSA-N 1 2 341.198 3.594 20 0 EHADLO Cc1ccc(NC(=O)CC(C)(C)c2ccc(F)cc2)c(N(C)C)[nH+]1 ZINC001266516298 1017743058 /nfs/dbraw/zinc/74/30/58/1017743058.db2.gz WSQSPHIYWCBQHO-UHFFFAOYSA-N 1 2 329.419 3.902 20 0 EHADLO Cc1[nH+]cc(Nc2ccnn2Cc2cccc(C(F)(F)F)c2)cc1N ZINC001210288812 1017749445 /nfs/dbraw/zinc/74/94/45/1017749445.db2.gz QKRJGWGGBGPQLM-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046898684 1017819304 /nfs/dbraw/zinc/81/93/04/1017819304.db2.gz WYZQUBJKZWHTAE-RHSMWYFYSA-N 1 2 346.450 3.887 20 0 EHADLO COc1sc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1Br ZINC000449528218 1032731824 /nfs/dbraw/zinc/73/18/24/1032731824.db2.gz NWKONROMLWCHGE-GFCCVEGCSA-N 1 2 348.331 3.847 20 0 EHADLO COc1sc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1Br ZINC000449528218 1032731838 /nfs/dbraw/zinc/73/18/38/1032731838.db2.gz NWKONROMLWCHGE-GFCCVEGCSA-N 1 2 348.331 3.847 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000157768782 1032735289 /nfs/dbraw/zinc/73/52/89/1032735289.db2.gz QYHNGWOLDVWDQS-CYBMUJFWSA-N 1 2 329.893 3.690 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000157768782 1032735306 /nfs/dbraw/zinc/73/53/06/1032735306.db2.gz QYHNGWOLDVWDQS-CYBMUJFWSA-N 1 2 329.893 3.690 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1nsc3ccccc13)C2 ZINC000659849077 1018047525 /nfs/dbraw/zinc/04/75/25/1018047525.db2.gz KYWLSXAUDKAHMJ-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1nsc3ccccc13)C2 ZINC000659849077 1018047533 /nfs/dbraw/zinc/04/75/33/1018047533.db2.gz KYWLSXAUDKAHMJ-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377624293 1018087352 /nfs/dbraw/zinc/08/73/52/1018087352.db2.gz KZJJHABLDIIGKF-MRXNPFEDSA-N 1 2 325.412 3.790 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000047273882 1018088465 /nfs/dbraw/zinc/08/84/65/1018088465.db2.gz TZMTYFASROSTTQ-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000047273882 1018088480 /nfs/dbraw/zinc/08/84/80/1018088480.db2.gz TZMTYFASROSTTQ-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000122951356 1018099950 /nfs/dbraw/zinc/09/99/50/1018099950.db2.gz UGMMPUGSLYNNGK-SFHVURJKSA-N 1 2 343.789 3.581 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000548001264 1018109165 /nfs/dbraw/zinc/10/91/65/1018109165.db2.gz SSNRXAPLGITPHW-MAUKXSAKSA-N 1 2 340.471 3.593 20 0 EHADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962120 1032747513 /nfs/dbraw/zinc/74/75/13/1032747513.db2.gz XYZHTLOTSSHVTK-BEFAXECRSA-N 1 2 344.528 3.579 20 0 EHADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cncs1 ZINC000091962120 1032747525 /nfs/dbraw/zinc/74/75/25/1032747525.db2.gz XYZHTLOTSSHVTK-BEFAXECRSA-N 1 2 344.528 3.579 20 0 EHADLO Cn1cc(Br)cc1C[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000091961724 1032748134 /nfs/dbraw/zinc/74/81/34/1032748134.db2.gz WHVUPMPVCASFAP-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000091961724 1032748147 /nfs/dbraw/zinc/74/81/47/1032748147.db2.gz WHVUPMPVCASFAP-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000090450265 1018303683 /nfs/dbraw/zinc/30/36/83/1018303683.db2.gz SAEJSKHSPMWXHK-CHWSQXEVSA-N 1 2 327.819 3.728 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+]Cc2cc(C(CC)CC)no2)s1 ZINC000893064879 1018331452 /nfs/dbraw/zinc/33/14/52/1018331452.db2.gz WZLUPTWUFGUDHQ-UHFFFAOYSA-N 1 2 337.445 3.501 20 0 EHADLO CCCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042845098 1018370466 /nfs/dbraw/zinc/37/04/66/1018370466.db2.gz NZWPJTIXUGOEHT-IYBDPMFKSA-N 1 2 333.476 3.608 20 0 EHADLO CCCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042845098 1018370483 /nfs/dbraw/zinc/37/04/83/1018370483.db2.gz NZWPJTIXUGOEHT-IYBDPMFKSA-N 1 2 333.476 3.608 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1nccs1)c1ccccc1 ZINC000606580175 1032763882 /nfs/dbraw/zinc/76/38/82/1032763882.db2.gz CLHPSONOXHKASI-MRXNPFEDSA-N 1 2 349.419 3.702 20 0 EHADLO Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc3[nH+]ccn3c1)CCC2 ZINC000606581145 1032764460 /nfs/dbraw/zinc/76/44/60/1032764460.db2.gz RUWUWIYCDVWDKB-CQSZACIVSA-N 1 2 341.440 3.641 20 0 EHADLO CC1(C)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000891168261 1018451569 /nfs/dbraw/zinc/45/15/69/1018451569.db2.gz BIFCXVSCKKZABK-OKZBNKHCSA-N 1 2 337.467 3.969 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)[NH+]1CCOCC1 ZINC000460740221 1018465303 /nfs/dbraw/zinc/46/53/03/1018465303.db2.gz NYOGKAJDSGNNIN-IBGZPJMESA-N 1 2 348.487 3.549 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)Cc1ccccc1Oc1ccccc1 ZINC000343849730 1018481134 /nfs/dbraw/zinc/48/11/34/1018481134.db2.gz YXKQEZGJILPZRM-HSZRJFAPSA-N 1 2 326.421 3.661 20 0 EHADLO O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000606582626 1032767926 /nfs/dbraw/zinc/76/79/26/1032767926.db2.gz XHRRPUNCWDCPRJ-UHFFFAOYSA-N 1 2 340.814 3.841 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000897560695 1032768894 /nfs/dbraw/zinc/76/88/94/1032768894.db2.gz UZQWYTXWOZOOFP-QZTJIDSGSA-N 1 2 325.456 3.769 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000606584006 1032769336 /nfs/dbraw/zinc/76/93/36/1032769336.db2.gz XCBCCJHTHWEYHR-IBGZPJMESA-N 1 2 343.390 3.640 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438105 1018523876 /nfs/dbraw/zinc/52/38/76/1018523876.db2.gz JBKOABUEFBTQCN-UHFFFAOYSA-N 1 2 332.394 3.906 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438105 1018523885 /nfs/dbraw/zinc/52/38/85/1018523885.db2.gz JBKOABUEFBTQCN-UHFFFAOYSA-N 1 2 332.394 3.906 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(c2ccccc2F)CC1 ZINC000606584082 1032770409 /nfs/dbraw/zinc/77/04/09/1032770409.db2.gz ZYHVVNXAAJPKAH-UHFFFAOYSA-N 1 2 338.386 3.885 20 0 EHADLO Cc1cc(N2CC[C@@H](n3cnc4ccccc43)C2)nc(C2CCC2)[nH+]1 ZINC000893121473 1018555891 /nfs/dbraw/zinc/55/58/91/1018555891.db2.gz RCHDPFISKWZVRA-MRXNPFEDSA-N 1 2 333.439 3.854 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584112 1032771498 /nfs/dbraw/zinc/77/14/98/1032771498.db2.gz BHLPSLURGMAIMM-AWEZNQCLSA-N 1 2 326.425 3.937 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1ccccc1Br)c1ccccc1F ZINC000580082450 1018608799 /nfs/dbraw/zinc/60/87/99/1018608799.db2.gz DJBQKSXGSLUXTD-ZBEGNZNMSA-N 1 2 338.220 3.800 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCc1c(F)cccc1F)C2 ZINC001167350899 1018616204 /nfs/dbraw/zinc/61/62/04/1018616204.db2.gz VYTYPMNOHRYXJW-UHFFFAOYSA-N 1 2 331.362 3.700 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCCc1c(F)cccc1F)C2 ZINC001167350899 1018616212 /nfs/dbraw/zinc/61/62/12/1018616212.db2.gz VYTYPMNOHRYXJW-UHFFFAOYSA-N 1 2 331.362 3.700 20 0 EHADLO CC(C)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000045965371 1018663208 /nfs/dbraw/zinc/66/32/08/1018663208.db2.gz KNXPXVXQWJGDTA-UHFFFAOYSA-N 1 2 330.501 3.670 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1 ZINC000924886940 1018733013 /nfs/dbraw/zinc/73/30/13/1018733013.db2.gz KZFKZZYYDZBFBL-CQSZACIVSA-N 1 2 343.475 3.564 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000052162652 1018850906 /nfs/dbraw/zinc/85/09/06/1018850906.db2.gz AYTRNTBEXUJHSG-ZDUSSCGKSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000052162652 1018850922 /nfs/dbraw/zinc/85/09/22/1018850922.db2.gz AYTRNTBEXUJHSG-ZDUSSCGKSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ccccc21 ZINC000683845779 1018857629 /nfs/dbraw/zinc/85/76/29/1018857629.db2.gz FKRGXJWMNMTFKX-JKSUJKDBSA-N 1 2 336.439 3.722 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000429988906 1018911391 /nfs/dbraw/zinc/91/13/91/1018911391.db2.gz KJCUZAFWLFJODZ-GFCCVEGCSA-N 1 2 334.261 3.610 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000429988906 1018911404 /nfs/dbraw/zinc/91/14/04/1018911404.db2.gz KJCUZAFWLFJODZ-GFCCVEGCSA-N 1 2 334.261 3.610 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCSC[C@H]2C2CCC2)no1 ZINC000419372663 1018953356 /nfs/dbraw/zinc/95/33/56/1018953356.db2.gz LBXNKLVIYGWEKR-INIZCTEOSA-N 1 2 329.469 3.763 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCSC[C@H]2C2CCC2)no1 ZINC000419372663 1018953372 /nfs/dbraw/zinc/95/33/72/1018953372.db2.gz LBXNKLVIYGWEKR-INIZCTEOSA-N 1 2 329.469 3.763 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255891615 1019008787 /nfs/dbraw/zinc/00/87/87/1019008787.db2.gz PKGKYXNOARGFEC-HOCLYGCPSA-N 1 2 343.496 3.834 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255891615 1019008795 /nfs/dbraw/zinc/00/87/95/1019008795.db2.gz PKGKYXNOARGFEC-HOCLYGCPSA-N 1 2 343.496 3.834 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000513127305 1019039462 /nfs/dbraw/zinc/03/94/62/1019039462.db2.gz GFEFRBMMUARKSQ-IRVMHKCDSA-N 1 2 331.456 3.652 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000513127305 1019039476 /nfs/dbraw/zinc/03/94/76/1019039476.db2.gz GFEFRBMMUARKSQ-IRVMHKCDSA-N 1 2 331.456 3.652 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642751 1019056600 /nfs/dbraw/zinc/05/66/00/1019056600.db2.gz QGJYVRJNYDQVKQ-GJZGRUSLSA-N 1 2 329.469 3.605 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340644299 1019060075 /nfs/dbraw/zinc/06/00/75/1019060075.db2.gz SEYVPOBVTZVAEK-VHDGCEQUSA-N 1 2 329.831 3.573 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(Br)c1OC ZINC000449563883 1032805351 /nfs/dbraw/zinc/80/53/51/1032805351.db2.gz ZHMHZCRFOVNANP-NSHDSACASA-N 1 2 338.249 3.525 20 0 EHADLO c1nc(C[NH+]2CCC(OCCc3ccccc3)CC2)oc1C1CC1 ZINC000340671910 1019147533 /nfs/dbraw/zinc/14/75/33/1019147533.db2.gz DUHPHAWADOFXGF-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000729041672 1019165184 /nfs/dbraw/zinc/16/51/84/1019165184.db2.gz WQYCCSYVIOSPEO-QGZVFWFLSA-N 1 2 347.503 3.664 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000729033726 1019167580 /nfs/dbraw/zinc/16/75/80/1019167580.db2.gz ZIWQXEQPOYFFDD-HIFRSBDPSA-N 1 2 343.298 3.568 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1nnc(-c2ccccc2)o1 ZINC000052711301 1019199639 /nfs/dbraw/zinc/19/96/39/1019199639.db2.gz VOJXDRSGHPWPBD-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nnc(-c2ccccc2)o1 ZINC000052711301 1019199644 /nfs/dbraw/zinc/19/96/44/1019199644.db2.gz VOJXDRSGHPWPBD-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO Fc1cc(Cl)cnc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000429997127 1019203000 /nfs/dbraw/zinc/20/30/00/1019203000.db2.gz KJEPRPBMIJSOBF-DAXSKMNVSA-N 1 2 331.822 3.710 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000255941184 1019253632 /nfs/dbraw/zinc/25/36/32/1019253632.db2.gz OHJYULSLPNVGBL-FXAWDEMLSA-N 1 2 337.467 3.560 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000408468156 1019304804 /nfs/dbraw/zinc/30/48/04/1019304804.db2.gz QCEXMZJEENACGR-INIZCTEOSA-N 1 2 341.459 3.726 20 0 EHADLO c1cc2c(ccnc2-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)[nH]1 ZINC000340685612 1019313216 /nfs/dbraw/zinc/31/32/16/1019313216.db2.gz DXXILFPPUUZIEZ-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO CN(C)C[C@@H]([NH2+]Cc1ccns1)c1ccc(Cl)c(Cl)c1 ZINC000639352793 1019352281 /nfs/dbraw/zinc/35/22/81/1019352281.db2.gz RJPRLUYKPSGDPB-CQSZACIVSA-N 1 2 330.284 3.842 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)c2nccn21 ZINC000449569433 1032824016 /nfs/dbraw/zinc/82/40/16/1032824016.db2.gz HCKGVOODKAMWFR-WMLDXEAASA-N 1 2 338.480 3.920 20 0 EHADLO CCOc1cccc(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000433578328 1019392905 /nfs/dbraw/zinc/39/29/05/1019392905.db2.gz LUSVOBRRIBTBTC-UHFFFAOYSA-N 1 2 349.434 3.552 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573799 1032828327 /nfs/dbraw/zinc/82/83/27/1032828327.db2.gz SDVVBDCPOXTNPB-SJKOYZFVSA-N 1 2 341.846 3.826 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@@H](F)C1 ZINC000580461623 1019407798 /nfs/dbraw/zinc/40/77/98/1019407798.db2.gz AMDLMFAXZJNLSK-OAHLLOKOSA-N 1 2 340.402 3.568 20 0 EHADLO CC1(C)CC[N@H+](CCCc2c(F)cccc2Cl)CC[S@]1=O ZINC000449572173 1032828532 /nfs/dbraw/zinc/82/85/32/1032828532.db2.gz IRMTWWUEWTWFHA-OAQYLSRUSA-N 1 2 331.884 3.645 20 0 EHADLO CC1(C)CC[N@@H+](CCCc2c(F)cccc2Cl)CC[S@]1=O ZINC000449572173 1032828544 /nfs/dbraw/zinc/82/85/44/1032828544.db2.gz IRMTWWUEWTWFHA-OAQYLSRUSA-N 1 2 331.884 3.645 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000053350749 1019409799 /nfs/dbraw/zinc/40/97/99/1019409799.db2.gz GDPQZRZJECUEFA-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000053350749 1019409806 /nfs/dbraw/zinc/40/98/06/1019409806.db2.gz GDPQZRZJECUEFA-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO COc1ccsc1[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000471581223 1019441358 /nfs/dbraw/zinc/44/13/58/1019441358.db2.gz NCVXSHSKGZIQDX-IHRRRGAJSA-N 1 2 347.484 3.938 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2nccn21 ZINC000449573213 1032830935 /nfs/dbraw/zinc/83/09/35/1032830935.db2.gz PUTLHYVUFIKHKW-LRDDRELGSA-N 1 2 327.819 3.518 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000891290093 1019495484 /nfs/dbraw/zinc/49/54/84/1019495484.db2.gz NKGYKNKZIXQJKW-KRWDZBQOSA-N 1 2 325.456 3.857 20 0 EHADLO Fc1ccccc1C=C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433765976 1019593962 /nfs/dbraw/zinc/59/39/62/1019593962.db2.gz KMTBFKFIDCSLSW-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO Fc1ccccc1C=C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433765976 1019593971 /nfs/dbraw/zinc/59/39/71/1019593971.db2.gz KMTBFKFIDCSLSW-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO COCCC[N@H+](Cc1ccncc1)Cc1c(Cl)cccc1OC ZINC000349333766 1019611017 /nfs/dbraw/zinc/61/10/17/1019611017.db2.gz RIHIBIXWFJXVNU-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO COCCC[N@@H+](Cc1ccncc1)Cc1c(Cl)cccc1OC ZINC000349333766 1019611026 /nfs/dbraw/zinc/61/10/26/1019611026.db2.gz RIHIBIXWFJXVNU-UHFFFAOYSA-N 1 2 334.847 3.782 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2CCN(c3cccc(Cl)c3)C2)[nH+]1 ZINC000433795468 1019629308 /nfs/dbraw/zinc/62/93/08/1019629308.db2.gz DIFFKQLNOGUIBW-ZDUSSCGKSA-N 1 2 327.819 3.611 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)Cc1scnc1C ZINC000656251958 1019633150 /nfs/dbraw/zinc/63/31/50/1019633150.db2.gz RHVMRFSGYSFJTE-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)Cc1scnc1C ZINC000656251958 1019633161 /nfs/dbraw/zinc/63/31/61/1019633161.db2.gz RHVMRFSGYSFJTE-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000513412203 1019640587 /nfs/dbraw/zinc/64/05/87/1019640587.db2.gz WLMRNCXOPOZHQW-KRWDZBQOSA-N 1 2 340.467 3.583 20 0 EHADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513459094 1019716643 /nfs/dbraw/zinc/71/66/43/1019716643.db2.gz XOUIXNNWAKGDIN-ABAIWWIYSA-N 1 2 329.362 3.740 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c2ccccn21 ZINC000656267970 1019799533 /nfs/dbraw/zinc/79/95/33/1019799533.db2.gz PMNIBVYVFFUCHN-KRWDZBQOSA-N 1 2 348.450 3.501 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000545844487 1019835666 /nfs/dbraw/zinc/83/56/66/1019835666.db2.gz AIGAPYBSVAJAGZ-UHFFFAOYSA-N 1 2 344.365 3.532 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433997657 1019864727 /nfs/dbraw/zinc/86/47/27/1019864727.db2.gz APXUJXZVEJNMPA-IMBTUZDBSA-N 1 2 343.471 3.603 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000580690733 1019867556 /nfs/dbraw/zinc/86/75/56/1019867556.db2.gz XSNKPSWISTWKHQ-UHFFFAOYSA-N 1 2 345.205 3.931 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(-c3cccc(F)c3)nc1C)C2 ZINC000656274873 1019877546 /nfs/dbraw/zinc/87/75/46/1019877546.db2.gz GLNVIVKOQCENNZ-UHFFFAOYSA-N 1 2 337.398 3.844 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(-c3cccc(F)c3)nc1C)C2 ZINC000656274873 1019877566 /nfs/dbraw/zinc/87/75/66/1019877566.db2.gz GLNVIVKOQCENNZ-UHFFFAOYSA-N 1 2 337.398 3.844 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001207133795 1019909449 /nfs/dbraw/zinc/90/94/49/1019909449.db2.gz XXEXPNKFFUMYLK-UHFFFAOYSA-N 1 2 340.254 3.920 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)c(C(F)(F)F)c1 ZINC000924908090 1019917013 /nfs/dbraw/zinc/91/70/13/1019917013.db2.gz FSVYSRASGCXTHU-NSHDSACASA-N 1 2 342.365 3.737 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000050449378 1019929293 /nfs/dbraw/zinc/92/92/93/1019929293.db2.gz HWKLNUDZGIZNJF-UHFFFAOYSA-N 1 2 338.329 3.656 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000175961742 1019931788 /nfs/dbraw/zinc/93/17/88/1019931788.db2.gz SPPSBWUTOJLGLK-UZLBHIALSA-N 1 2 346.434 3.775 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340749533 1019946580 /nfs/dbraw/zinc/94/65/80/1019946580.db2.gz WOUAYXHUTDXGMC-NHCUHLMSSA-N 1 2 345.446 3.741 20 0 EHADLO CC(=O)Nc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000340762429 1019962701 /nfs/dbraw/zinc/96/27/01/1019962701.db2.gz YBHRVRGHEQZIQE-SFHVURJKSA-N 1 2 348.406 3.529 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000345129846 1019984879 /nfs/dbraw/zinc/98/48/79/1019984879.db2.gz QVCWPZBZAYTPEW-OAHLLOKOSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000345129846 1019984888 /nfs/dbraw/zinc/98/48/88/1019984888.db2.gz QVCWPZBZAYTPEW-OAHLLOKOSA-N 1 2 347.459 3.526 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684048516 1019992162 /nfs/dbraw/zinc/99/21/62/1019992162.db2.gz VRSKAVFPAFFWSD-CYBMUJFWSA-N 1 2 338.238 3.596 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000280040041 1020006452 /nfs/dbraw/zinc/00/64/52/1020006452.db2.gz ZDNKFGWHJNECKN-UHFFFAOYSA-N 1 2 343.496 3.704 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000280040041 1020006465 /nfs/dbraw/zinc/00/64/65/1020006465.db2.gz ZDNKFGWHJNECKN-UHFFFAOYSA-N 1 2 343.496 3.704 20 0 EHADLO CCSCc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000345200174 1020023828 /nfs/dbraw/zinc/02/38/28/1020023828.db2.gz DDDCFEXMBGBIBS-UHFFFAOYSA-N 1 2 325.437 3.517 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4coc(C5CC5)n4)n3)c2)c[nH+]1 ZINC000349997394 1032878286 /nfs/dbraw/zinc/87/82/86/1032878286.db2.gz YNJOPFBLZDSESI-UHFFFAOYSA-N 1 2 333.351 3.514 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1Cl ZINC000345293848 1020133406 /nfs/dbraw/zinc/13/34/06/1020133406.db2.gz BATBOAUCBDZFKA-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CNc1nc(Cl)ncc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C)C1 ZINC001142488452 1032878906 /nfs/dbraw/zinc/87/89/06/1032878906.db2.gz JNTBKNXDXCJSLW-OAHLLOKOSA-N 1 2 346.862 3.524 20 0 EHADLO CNc1nc(Cl)ncc1C[N@H+]1CCC[C@@H](Oc2ccccc2C)C1 ZINC001142488452 1032878919 /nfs/dbraw/zinc/87/89/19/1032878919.db2.gz JNTBKNXDXCJSLW-OAHLLOKOSA-N 1 2 346.862 3.524 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000048179934 1020164255 /nfs/dbraw/zinc/16/42/55/1020164255.db2.gz RBQSSKWRTFDXFV-UHFFFAOYSA-N 1 2 341.480 3.545 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCn3cccc3)n2)C1 ZINC000155910587 1020220986 /nfs/dbraw/zinc/22/09/86/1020220986.db2.gz PXACHULYNPIYRM-HNNXBMFYSA-N 1 2 346.500 3.595 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCn3cccc3)n2)C1 ZINC000155910587 1020220990 /nfs/dbraw/zinc/22/09/90/1020220990.db2.gz PXACHULYNPIYRM-HNNXBMFYSA-N 1 2 346.500 3.595 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)c(F)c(C)c1 ZINC001143384594 1020232123 /nfs/dbraw/zinc/23/21/23/1020232123.db2.gz JGVBPNZKZBMYEQ-SFHVURJKSA-N 1 2 329.415 3.659 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C)c(F)c(C)c1 ZINC001143384594 1020232128 /nfs/dbraw/zinc/23/21/28/1020232128.db2.gz JGVBPNZKZBMYEQ-SFHVURJKSA-N 1 2 329.415 3.659 20 0 EHADLO Cc1c[nH+]cc(Nc2ncc(F)cc2I)c1C ZINC001213522782 1020261222 /nfs/dbraw/zinc/26/12/22/1020261222.db2.gz GOROTRYJKWEIEF-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1Cl ZINC000042328670 1020257431 /nfs/dbraw/zinc/25/74/31/1020257431.db2.gz XVHVTGCFEKEQBL-CYBMUJFWSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1Cl ZINC000042328670 1020257440 /nfs/dbraw/zinc/25/74/40/1020257440.db2.gz XVHVTGCFEKEQBL-CYBMUJFWSA-N 1 2 348.899 3.807 20 0 EHADLO O=C(/C=C\c1cccnc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000255905036 1020259058 /nfs/dbraw/zinc/25/90/58/1020259058.db2.gz UYTYAZQKODYUIR-WDZFZDKYSA-N 1 2 344.418 3.933 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000580962360 1020306498 /nfs/dbraw/zinc/30/64/98/1020306498.db2.gz OMMKTEQXOPKHLI-DYVFJYSZSA-N 1 2 331.847 3.996 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000580962360 1020306509 /nfs/dbraw/zinc/30/65/09/1020306509.db2.gz OMMKTEQXOPKHLI-DYVFJYSZSA-N 1 2 331.847 3.996 20 0 EHADLO COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000280362402 1020322395 /nfs/dbraw/zinc/32/23/95/1020322395.db2.gz URXGLHKULUFJDV-MPGHIAIKSA-N 1 2 348.512 3.630 20 0 EHADLO c1nn(-c2ccccc2)c2c1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000581027619 1020364203 /nfs/dbraw/zinc/36/42/03/1020364203.db2.gz HQNLLIPJXUHNCM-UHFFFAOYSA-N 1 2 345.446 3.756 20 0 EHADLO c1nn(-c2ccccc2)c2c1C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000581027619 1020364210 /nfs/dbraw/zinc/36/42/10/1020364210.db2.gz HQNLLIPJXUHNCM-UHFFFAOYSA-N 1 2 345.446 3.756 20 0 EHADLO FC(F)(F)c1cccnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340847692 1020408237 /nfs/dbraw/zinc/40/82/37/1020408237.db2.gz UPQAWPOIDAHGLV-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO c1cn(Cc2cccc(-c3nc(COc4ccccc4)no3)c2)c[nH+]1 ZINC000345671350 1020421060 /nfs/dbraw/zinc/42/10/60/1020421060.db2.gz JLZOKGPZSSSVOB-UHFFFAOYSA-N 1 2 332.363 3.560 20 0 EHADLO C[C@H]1c2ccccc2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340858546 1020472647 /nfs/dbraw/zinc/47/26/47/1020472647.db2.gz ZCZZRBGKSMULPN-HNNXBMFYSA-N 1 2 332.407 3.659 20 0 EHADLO C[C@@H]1c2ccccc2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340858549 1020472921 /nfs/dbraw/zinc/47/29/21/1020472921.db2.gz ZCZZRBGKSMULPN-OAHLLOKOSA-N 1 2 332.407 3.659 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000340862184 1020482480 /nfs/dbraw/zinc/48/24/80/1020482480.db2.gz NASKXVWHOOVAMB-UWJYYQICSA-N 1 2 337.467 3.800 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@H](c2ccsc2)O1 ZINC000093768762 1032907125 /nfs/dbraw/zinc/90/71/25/1032907125.db2.gz ZDAPEUGLQIGRLE-KBXCAEBGSA-N 1 2 345.464 3.871 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H](c2ccsc2)O1 ZINC000093768762 1032907139 /nfs/dbraw/zinc/90/71/39/1032907139.db2.gz ZDAPEUGLQIGRLE-KBXCAEBGSA-N 1 2 345.464 3.871 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(COc3ccccc3)no2)c1 ZINC000345883505 1020573168 /nfs/dbraw/zinc/57/31/68/1020573168.db2.gz KQTPDYXHNRWPDX-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO CCCc1sc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1CC ZINC000510376957 1020628756 /nfs/dbraw/zinc/62/87/56/1020628756.db2.gz MGGKJHPIQLUTSX-HNNXBMFYSA-N 1 2 343.496 3.667 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H]2COc2cccnc2C)cs1 ZINC000419406405 1020638430 /nfs/dbraw/zinc/63/84/30/1020638430.db2.gz WSOBESXJKHHYEV-HOCLYGCPSA-N 1 2 347.484 3.597 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H]2COc2cccnc2C)cs1 ZINC000419406405 1020638437 /nfs/dbraw/zinc/63/84/37/1020638437.db2.gz WSOBESXJKHHYEV-HOCLYGCPSA-N 1 2 347.484 3.597 20 0 EHADLO CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501037381 1020673218 /nfs/dbraw/zinc/67/32/18/1020673218.db2.gz RDCWPUUHGWGSKG-OAHLLOKOSA-N 1 2 341.858 3.715 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)n1 ZINC000340973226 1020716081 /nfs/dbraw/zinc/71/60/81/1020716081.db2.gz IGGIPGKDELIJKI-UHFFFAOYSA-N 1 2 341.459 3.619 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340999221 1020804721 /nfs/dbraw/zinc/80/47/21/1020804721.db2.gz NVTQSVZIVOOEOS-UYAOXDASSA-N 1 2 331.419 3.682 20 0 EHADLO CCCCc1noc([C@@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)n1 ZINC000528851699 1032931788 /nfs/dbraw/zinc/93/17/88/1032931788.db2.gz XOHIKDWNVWZPPP-PXAZEXFGSA-N 1 2 330.432 3.618 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC000341009600 1020839854 /nfs/dbraw/zinc/83/98/54/1020839854.db2.gz BODKVXGFFQNRNT-LBPRGKRZSA-N 1 2 347.484 3.610 20 0 EHADLO COc1cccc(C=C2CC[NH+](CN3C[C@@H](C(C)C)CC3=O)CC2)c1 ZINC000760409040 1032939202 /nfs/dbraw/zinc/93/92/02/1032939202.db2.gz RWFYLHIADJXOQP-IBGZPJMESA-N 1 2 342.483 3.636 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000341098543 1020976940 /nfs/dbraw/zinc/97/69/40/1020976940.db2.gz CCWLRXTXYWZYEU-NSHDSACASA-N 1 2 343.349 3.812 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCOc1ccccc1 ZINC000341143986 1021010929 /nfs/dbraw/zinc/01/09/29/1021010929.db2.gz JAMOSCDLBBYOEP-IBGZPJMESA-N 1 2 349.434 3.517 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)sc1C ZINC000341204100 1021095613 /nfs/dbraw/zinc/09/56/13/1021095613.db2.gz DXTYSNCTADOSPE-ZJUUUORDSA-N 1 2 339.411 3.716 20 0 EHADLO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2csc(C)n2)cc1OC ZINC000341220241 1021121135 /nfs/dbraw/zinc/12/11/35/1021121135.db2.gz PMTRPZJUYCLLNI-NSHDSACASA-N 1 2 336.457 3.718 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1c(F)cccc1F ZINC000341221623 1021123638 /nfs/dbraw/zinc/12/36/38/1021123638.db2.gz QPPPWDORXWWAIV-CQSZACIVSA-N 1 2 344.405 3.807 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188807152 1021134130 /nfs/dbraw/zinc/13/41/30/1021134130.db2.gz NABIMWSCBRLDDZ-RISCZKNCSA-N 1 2 337.769 3.619 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000656683110 1021160691 /nfs/dbraw/zinc/16/06/91/1021160691.db2.gz XPEJLBFSYBGMON-FMKPAKJESA-N 1 2 331.485 3.840 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000656683070 1021160878 /nfs/dbraw/zinc/16/08/78/1021160878.db2.gz XGLLLOVJDBEZMP-VHSXEESVSA-N 1 2 343.374 3.840 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244895 1021170102 /nfs/dbraw/zinc/17/01/02/1021170102.db2.gz XNQRPMANGGJLBB-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO CC1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000341247056 1021178128 /nfs/dbraw/zinc/17/81/28/1021178128.db2.gz DUBPMEMYJNPKGJ-UHFFFAOYSA-N 1 2 332.492 3.664 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2snnc2C)c2ccc(F)cc2)cc1 ZINC000426300379 1021212070 /nfs/dbraw/zinc/21/20/70/1021212070.db2.gz FGFAAMTYFXZQOX-GOSISDBHSA-N 1 2 343.427 3.873 20 0 EHADLO CC(C)[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507397268 1021230888 /nfs/dbraw/zinc/23/08/88/1021230888.db2.gz AIZDUPGGVGCQQM-OAHLLOKOSA-N 1 2 333.863 3.857 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000664868576 1021231443 /nfs/dbraw/zinc/23/14/43/1021231443.db2.gz OZJJVPAIGXGKQG-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000664868576 1021231453 /nfs/dbraw/zinc/23/14/53/1021231453.db2.gz OZJJVPAIGXGKQG-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000507388519 1021239625 /nfs/dbraw/zinc/23/96/25/1021239625.db2.gz XIAZYJBQNALSOA-UHFFFAOYSA-N 1 2 333.382 3.603 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(-c3cn4cccc(C)c4n3)cc2)n1C ZINC000341269662 1021244431 /nfs/dbraw/zinc/24/44/31/1021244431.db2.gz JSJDHAPKPOJKQH-UHFFFAOYSA-N 1 2 331.423 3.964 20 0 EHADLO CCc1nc(C)c(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000426323405 1021262570 /nfs/dbraw/zinc/26/25/70/1021262570.db2.gz MWGHKNBPPJVHSY-LJQANCHMSA-N 1 2 325.387 3.959 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C2CC2)cn1 ZINC000528852313 1032964470 /nfs/dbraw/zinc/96/44/70/1032964470.db2.gz ZZMGJFDORYJNND-XHDPSFHLSA-N 1 2 330.432 3.573 20 0 EHADLO Cc1csc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000505890433 1021291701 /nfs/dbraw/zinc/29/17/01/1021291701.db2.gz BDUQSSKAGRXGBS-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO Cc1cc(C[NH+]2CCC(c3ccccc3Br)CC2)nn1C ZINC000439280778 1021318171 /nfs/dbraw/zinc/31/81/71/1021318171.db2.gz SOSCBPKCAZYULY-UHFFFAOYSA-N 1 2 348.288 3.871 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000425645824 1021324529 /nfs/dbraw/zinc/32/45/29/1021324529.db2.gz DLDFVHDBQXFESZ-BRWVUGGUSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516393923 1021386185 /nfs/dbraw/zinc/38/61/85/1021386185.db2.gz IEZKIUHURLWNAG-ZBFHGGJFSA-N 1 2 329.419 3.844 20 0 EHADLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427436154 1021400357 /nfs/dbraw/zinc/40/03/57/1021400357.db2.gz PYDGUHVFDYWDSA-AWEZNQCLSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427436154 1021400364 /nfs/dbraw/zinc/40/03/64/1021400364.db2.gz PYDGUHVFDYWDSA-AWEZNQCLSA-N 1 2 331.416 3.515 20 0 EHADLO Cn1c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3c3ccco3)cc2sc1=O ZINC000449638368 1032977202 /nfs/dbraw/zinc/97/72/02/1032977202.db2.gz KJHYYIVWZMSGNJ-QGZVFWFLSA-N 1 2 340.448 3.920 20 0 EHADLO Cn1c2ccc(C[N@H+]3CC4(CCC4)[C@H]3c3ccco3)cc2sc1=O ZINC000449638368 1032977205 /nfs/dbraw/zinc/97/72/05/1032977205.db2.gz KJHYYIVWZMSGNJ-QGZVFWFLSA-N 1 2 340.448 3.920 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000507672986 1021429525 /nfs/dbraw/zinc/42/95/25/1021429525.db2.gz MNDDCLVLIWABJF-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000507672986 1021429531 /nfs/dbraw/zinc/42/95/31/1021429531.db2.gz MNDDCLVLIWABJF-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000505938050 1021493812 /nfs/dbraw/zinc/49/38/12/1021493812.db2.gz JUJGHDPYVISBDG-GBESFXJTSA-N 1 2 341.499 3.905 20 0 EHADLO C[C@H](C[N@H+](C)Cc1csc(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC000894866750 1021528710 /nfs/dbraw/zinc/52/87/10/1021528710.db2.gz AWEWZQOVCFHWAW-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1csc(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC000894866750 1021528717 /nfs/dbraw/zinc/52/87/17/1021528717.db2.gz AWEWZQOVCFHWAW-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000518774245 1021531430 /nfs/dbraw/zinc/53/14/30/1021531430.db2.gz XZPLMTMCDWMFNV-WOJBJXKFSA-N 1 2 337.467 3.764 20 0 EHADLO FC1(F)CC[C@@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000350051977 1032987190 /nfs/dbraw/zinc/98/71/90/1032987190.db2.gz RZPXCJLHPPGTSB-LBPRGKRZSA-N 1 2 330.338 3.900 20 0 EHADLO CC1(C)COc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000581696070 1021547283 /nfs/dbraw/zinc/54/72/83/1021547283.db2.gz RDSQDYGLNWXWFL-UHFFFAOYSA-N 1 2 333.391 3.795 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(SC(F)(F)F)c1 ZINC000894871734 1021550771 /nfs/dbraw/zinc/55/07/71/1021550771.db2.gz BACULHRRTRXKGQ-LLVKDONJSA-N 1 2 343.374 3.763 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000449658010 1032988343 /nfs/dbraw/zinc/98/83/43/1032988343.db2.gz RTIKSENVHLZHAF-PBHICJAKSA-N 1 2 338.442 3.665 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)ccc21 ZINC000581708130 1021579331 /nfs/dbraw/zinc/57/93/31/1021579331.db2.gz JCFWFFQERQEWIQ-UHFFFAOYSA-N 1 2 348.406 3.531 20 0 EHADLO Cc1noc(C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 ZINC000328810954 1021590016 /nfs/dbraw/zinc/59/00/16/1021590016.db2.gz DZQOLYKPCBXDQJ-MRXNPFEDSA-N 1 2 346.818 3.629 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469454414 1021657316 /nfs/dbraw/zinc/65/73/16/1021657316.db2.gz KBWLFXRDXPZVSZ-KSSFIOAISA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469454414 1021657323 /nfs/dbraw/zinc/65/73/23/1021657323.db2.gz KBWLFXRDXPZVSZ-KSSFIOAISA-N 1 2 331.362 3.668 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000519760728 1021676143 /nfs/dbraw/zinc/67/61/43/1021676143.db2.gz BZKVIHVNLRDENP-NWDGAFQWSA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000519760728 1021676151 /nfs/dbraw/zinc/67/61/51/1021676151.db2.gz BZKVIHVNLRDENP-NWDGAFQWSA-N 1 2 345.270 3.820 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000425758174 1021678681 /nfs/dbraw/zinc/67/86/81/1021678681.db2.gz UQRLCMZZWLGZJR-UHFFFAOYSA-N 1 2 333.819 3.820 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccncc1Oc1ccccc1 ZINC000440645314 1021688465 /nfs/dbraw/zinc/68/84/65/1021688465.db2.gz LLBZJTPAPYXHGX-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cnc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)s1 ZINC000449663543 1032997328 /nfs/dbraw/zinc/99/73/28/1032997328.db2.gz ACOYDVKWRZINFD-AWEZNQCLSA-N 1 2 331.268 3.756 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000506676540 1021709339 /nfs/dbraw/zinc/70/93/39/1021709339.db2.gz PZFPUQHDAXYXIW-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000506676540 1021709354 /nfs/dbraw/zinc/70/93/54/1021709354.db2.gz PZFPUQHDAXYXIW-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC(C)(C)C1 ZINC000468093644 1021754172 /nfs/dbraw/zinc/75/41/72/1021754172.db2.gz JAJSZJKLBBNBCP-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO F[C@@H]1CC2(CC[C@@H]1[NH+](Cc1ccco1)Cc1ccco1)OCCO2 ZINC000891497759 1021766964 /nfs/dbraw/zinc/76/69/64/1021766964.db2.gz IMVIFINEGYGJJC-SJORKVTESA-N 1 2 335.375 3.509 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C=Cc3ccc(Br)o3)cc2[nH+]1 ZINC000051224485 1021768516 /nfs/dbraw/zinc/76/85/16/1021768516.db2.gz WJZDVWSCYCLNDL-DAXSKMNVSA-N 1 2 346.184 3.879 20 0 EHADLO CCC(CC)[C@@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440783039 1021775049 /nfs/dbraw/zinc/77/50/49/1021775049.db2.gz LKZHEFQAMHLRIY-OAHLLOKOSA-N 1 2 341.381 3.503 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC2(C)C)c(C)c1 ZINC000440791399 1021785560 /nfs/dbraw/zinc/78/55/60/1021785560.db2.gz JTXRHQFKMCRFMA-FUHWJXTLSA-N 1 2 340.471 3.587 20 0 EHADLO FC(F)(F)c1cc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)[nH]n1 ZINC000440809062 1021799685 /nfs/dbraw/zinc/79/96/85/1021799685.db2.gz RNYCWPWRCAMXJL-INIZCTEOSA-N 1 2 332.329 3.703 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)c(C)c[nH+]1 ZINC000516868259 1021800828 /nfs/dbraw/zinc/80/08/28/1021800828.db2.gz ATUZZRHOYXZQDQ-OAHLLOKOSA-N 1 2 345.240 3.551 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2nccs2)c2ccccc21 ZINC000593685083 1033008190 /nfs/dbraw/zinc/00/81/90/1033008190.db2.gz BJNBVGWVWWBXBS-CABCVRRESA-N 1 2 330.453 3.803 20 0 EHADLO CC(C)CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000440902536 1021857539 /nfs/dbraw/zinc/85/75/39/1021857539.db2.gz PTTLERGJNGCWRG-UHFFFAOYSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000440916145 1021866571 /nfs/dbraw/zinc/86/65/71/1021866571.db2.gz JGCBEICTELKIAM-NUJGCVRESA-N 1 2 348.487 3.517 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000440916145 1021866583 /nfs/dbraw/zinc/86/65/83/1021866583.db2.gz JGCBEICTELKIAM-NUJGCVRESA-N 1 2 348.487 3.517 20 0 EHADLO COC(=O)c1cnc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)s1 ZINC000894393277 1021884030 /nfs/dbraw/zinc/88/40/30/1021884030.db2.gz WASRIAMMYRKQRM-UHFFFAOYSA-N 1 2 346.452 3.541 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440953402 1021899760 /nfs/dbraw/zinc/89/97/60/1021899760.db2.gz VNKMNTDVHWBOHR-IAGOWNOFSA-N 1 2 331.435 3.727 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440953402 1021899779 /nfs/dbraw/zinc/89/97/79/1021899779.db2.gz VNKMNTDVHWBOHR-IAGOWNOFSA-N 1 2 331.435 3.727 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1C ZINC000172913066 1033015199 /nfs/dbraw/zinc/01/51/99/1033015199.db2.gz ZNYXSTFFMNLAET-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1C ZINC000172913066 1033015211 /nfs/dbraw/zinc/01/52/11/1033015211.db2.gz ZNYXSTFFMNLAET-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049460 1021956518 /nfs/dbraw/zinc/95/65/18/1021956518.db2.gz JBKDIANYPGKNLM-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1)c1ccc(F)cc1 ZINC000441049460 1021956528 /nfs/dbraw/zinc/95/65/28/1021956528.db2.gz JBKDIANYPGKNLM-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2cccnc2)CC[C@@H]1c1ccccc1 ZINC000437581627 1021972114 /nfs/dbraw/zinc/97/21/14/1021972114.db2.gz LZDLXMZXOHLTGK-UXPWSPDFSA-N 1 2 338.451 3.811 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2cccnc2)CC[C@@H]1c1ccccc1 ZINC000437581627 1021972119 /nfs/dbraw/zinc/97/21/19/1021972119.db2.gz LZDLXMZXOHLTGK-UXPWSPDFSA-N 1 2 338.451 3.811 20 0 EHADLO Cc1cc(NCc2ccnc(OCc3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000341466006 1021995507 /nfs/dbraw/zinc/99/55/07/1021995507.db2.gz CYBHECGTBJFBJW-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO Cc1cc(NCCc2coc(-c3ccc(F)cc3)n2)nc(C2CC2)[nH+]1 ZINC000341473210 1022016217 /nfs/dbraw/zinc/01/62/17/1022016217.db2.gz HZQGGHBGDKDNRR-UHFFFAOYSA-N 1 2 338.386 3.533 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cnc(-c4ccncc4)s3)[nH]c2c1 ZINC000440330224 1022097088 /nfs/dbraw/zinc/09/70/88/1022097088.db2.gz ULLXRAFLMDZYRV-UHFFFAOYSA-N 1 2 335.436 3.680 20 0 EHADLO Cc1ccc(-c2cnc(CN3CC[NH+](Cc4ccco4)CC3)o2)cc1 ZINC000441260507 1022099703 /nfs/dbraw/zinc/09/97/03/1022099703.db2.gz VVNVEAAPBHGFSH-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000607187851 1033031352 /nfs/dbraw/zinc/03/13/52/1033031352.db2.gz HFEJYTQOFUMWHV-CVEARBPZSA-N 1 2 335.517 3.544 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000607188514 1033032492 /nfs/dbraw/zinc/03/24/92/1033032492.db2.gz AOQPKHOXIDOCFK-OAHLLOKOSA-N 1 2 343.496 3.899 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000607188514 1033032506 /nfs/dbraw/zinc/03/25/06/1033032506.db2.gz AOQPKHOXIDOCFK-OAHLLOKOSA-N 1 2 343.496 3.899 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000187642432 1022203480 /nfs/dbraw/zinc/20/34/80/1022203480.db2.gz KFGVXEKOMUWXRM-QGZVFWFLSA-N 1 2 346.377 3.577 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000187642432 1022203490 /nfs/dbraw/zinc/20/34/90/1022203490.db2.gz KFGVXEKOMUWXRM-QGZVFWFLSA-N 1 2 346.377 3.577 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000506158594 1022241887 /nfs/dbraw/zinc/24/18/87/1022241887.db2.gz ABZXNXPUSXYHIE-UHFFFAOYSA-N 1 2 337.803 3.750 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000506158594 1022241900 /nfs/dbraw/zinc/24/19/00/1022241900.db2.gz ABZXNXPUSXYHIE-UHFFFAOYSA-N 1 2 337.803 3.750 20 0 EHADLO O=C1[C@H](Nc2cccc[nH+]2)CCCN1c1ccc(Cl)cc1Cl ZINC000473912551 1022275216 /nfs/dbraw/zinc/27/52/16/1022275216.db2.gz OXXLEOUJVYMWLK-CYBMUJFWSA-N 1 2 336.222 3.996 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(C)nc3c2CCCC3)n1 ZINC000894435351 1022282393 /nfs/dbraw/zinc/28/23/93/1022282393.db2.gz CJBRXRDHVLXAEN-SFHVURJKSA-N 1 2 326.444 3.687 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(C)nc3c2CCCC3)n1 ZINC000894435351 1022282398 /nfs/dbraw/zinc/28/23/98/1022282398.db2.gz CJBRXRDHVLXAEN-SFHVURJKSA-N 1 2 326.444 3.687 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000112598912 1022283293 /nfs/dbraw/zinc/28/32/93/1022283293.db2.gz MBKPATBKZRHUHJ-LLVKDONJSA-N 1 2 336.794 3.816 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000112598912 1022283299 /nfs/dbraw/zinc/28/32/99/1022283299.db2.gz MBKPATBKZRHUHJ-LLVKDONJSA-N 1 2 336.794 3.816 20 0 EHADLO Cn1c(C[NH2+][C@@H]2COc3ccc(F)cc32)nc2ccc(Cl)cc21 ZINC000341552191 1022291798 /nfs/dbraw/zinc/29/17/98/1022291798.db2.gz LNZKEYHRNSPSKZ-CQSZACIVSA-N 1 2 331.778 3.589 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000084317666 1022298784 /nfs/dbraw/zinc/29/87/84/1022298784.db2.gz VIXZNPPCLVTHQO-HOTGVXAUSA-N 1 2 347.503 3.996 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894962810 1022308199 /nfs/dbraw/zinc/30/81/99/1022308199.db2.gz VBSQNECFDNGZJX-HNAYVOBHSA-N 1 2 338.430 3.986 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894962810 1022308214 /nfs/dbraw/zinc/30/82/14/1022308214.db2.gz VBSQNECFDNGZJX-HNAYVOBHSA-N 1 2 338.430 3.986 20 0 EHADLO FC(F)[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000634749995 1022312286 /nfs/dbraw/zinc/31/22/86/1022312286.db2.gz KGWMVXUTZDDDKS-CYBMUJFWSA-N 1 2 342.773 3.851 20 0 EHADLO FC(F)[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000634749995 1022312303 /nfs/dbraw/zinc/31/23/03/1022312303.db2.gz KGWMVXUTZDDDKS-CYBMUJFWSA-N 1 2 342.773 3.851 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000517409996 1022314782 /nfs/dbraw/zinc/31/47/82/1022314782.db2.gz GFABYPJHRNYUIN-VQTJNVASSA-N 1 2 333.435 3.736 20 0 EHADLO CCc1ccccc1Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000517431530 1022328210 /nfs/dbraw/zinc/32/82/10/1022328210.db2.gz BBUOXMPTXMQSKB-UHFFFAOYSA-N 1 2 332.407 3.770 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000894466584 1022344146 /nfs/dbraw/zinc/34/41/46/1022344146.db2.gz JWFAQEWJBFXIBC-LBPRGKRZSA-N 1 2 330.453 3.659 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(F)c1 ZINC001143568724 1022372124 /nfs/dbraw/zinc/37/21/24/1022372124.db2.gz IJBXVLIETYJTAQ-HOTGVXAUSA-N 1 2 343.373 3.775 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(F)c1 ZINC001143568724 1022372135 /nfs/dbraw/zinc/37/21/35/1022372135.db2.gz IJBXVLIETYJTAQ-HOTGVXAUSA-N 1 2 343.373 3.775 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c(F)ccc(F)c1F ZINC000519549688 1022375422 /nfs/dbraw/zinc/37/54/22/1022375422.db2.gz VNMJPLQLUYLXSB-HAQNSBGRSA-N 1 2 349.356 3.652 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000438082549 1022383151 /nfs/dbraw/zinc/38/31/51/1022383151.db2.gz UAYPYLNCGVCGNK-UHFFFAOYSA-N 1 2 349.482 3.988 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000438082549 1022383164 /nfs/dbraw/zinc/38/31/64/1022383164.db2.gz UAYPYLNCGVCGNK-UHFFFAOYSA-N 1 2 349.482 3.988 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000517506465 1022402014 /nfs/dbraw/zinc/40/20/14/1022402014.db2.gz FREWGAGDDLKSBU-WOJBJXKFSA-N 1 2 333.435 3.736 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822715 1022406207 /nfs/dbraw/zinc/40/62/07/1022406207.db2.gz JLFINECFQDYOOY-SJORKVTESA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822715 1022406211 /nfs/dbraw/zinc/40/62/11/1022406211.db2.gz JLFINECFQDYOOY-SJORKVTESA-N 1 2 329.488 3.502 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827691 1022485465 /nfs/dbraw/zinc/48/54/65/1022485465.db2.gz CDYMGPPWKUNFGR-YFHUEUNASA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827691 1022485480 /nfs/dbraw/zinc/48/54/80/1022485480.db2.gz CDYMGPPWKUNFGR-YFHUEUNASA-N 1 2 329.488 3.643 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000303634588 1022502588 /nfs/dbraw/zinc/50/25/88/1022502588.db2.gz GKSQBIJMJIEYRA-UHOSZYNNSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000303634588 1022502596 /nfs/dbraw/zinc/50/25/96/1022502596.db2.gz GKSQBIJMJIEYRA-UHOSZYNNSA-N 1 2 346.540 3.780 20 0 EHADLO Fc1ccc(OCCCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000517639208 1022517538 /nfs/dbraw/zinc/51/75/38/1022517538.db2.gz BJMVNXPFGTZSPS-UHFFFAOYSA-N 1 2 344.434 3.877 20 0 EHADLO Fc1ccc(OCCCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000517639208 1022517547 /nfs/dbraw/zinc/51/75/47/1022517547.db2.gz BJMVNXPFGTZSPS-UHFFFAOYSA-N 1 2 344.434 3.877 20 0 EHADLO Fc1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1-n1cccn1 ZINC000438293953 1022528310 /nfs/dbraw/zinc/52/83/10/1022528310.db2.gz IWTCXBPDKATQHD-UHFFFAOYSA-N 1 2 347.397 3.868 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000438316055 1022537877 /nfs/dbraw/zinc/53/78/77/1022537877.db2.gz NYVUDUFOLBSRFU-KXBFYZLASA-N 1 2 329.415 3.521 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000476223663 1033062987 /nfs/dbraw/zinc/06/29/87/1033062987.db2.gz MAUKOUACEBPBIX-DLBZAZTESA-N 1 2 340.442 3.835 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1OCc1ccccc1)c1ncnn1C ZINC000276744758 1022561097 /nfs/dbraw/zinc/56/10/97/1022561097.db2.gz ZNFTZRNAELWEHZ-HOTGVXAUSA-N 1 2 336.439 3.806 20 0 EHADLO CNc1cc(NC(CCC(F)(F)F)CCC(F)(F)F)[nH+]cn1 ZINC000894577964 1022563022 /nfs/dbraw/zinc/56/30/22/1022563022.db2.gz MKYQCLJPKTVOMI-UHFFFAOYSA-N 1 2 330.276 3.984 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000438335002 1022574791 /nfs/dbraw/zinc/57/47/91/1022574791.db2.gz NRUWHSZMYVFEFH-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000438335002 1022574805 /nfs/dbraw/zinc/57/48/05/1022574805.db2.gz NRUWHSZMYVFEFH-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(Br)c2)CC[C@@H]1O ZINC000438343277 1022580385 /nfs/dbraw/zinc/58/03/85/1022580385.db2.gz BHISFMUQBTYCPA-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(Br)c2)CC[C@@H]1O ZINC000438343277 1022580394 /nfs/dbraw/zinc/58/03/94/1022580394.db2.gz BHISFMUQBTYCPA-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(Br)c2)CC[C@H]1O ZINC000438343276 1022580988 /nfs/dbraw/zinc/58/09/88/1022580988.db2.gz BHISFMUQBTYCPA-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(Br)c2)CC[C@H]1O ZINC000438343276 1022581001 /nfs/dbraw/zinc/58/10/01/1022581001.db2.gz BHISFMUQBTYCPA-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833763 1022585283 /nfs/dbraw/zinc/58/52/83/1022585283.db2.gz UOSMWAAXKXBOMV-LSCKAKRGSA-N 1 2 329.488 3.548 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833763 1022585291 /nfs/dbraw/zinc/58/52/91/1022585291.db2.gz UOSMWAAXKXBOMV-LSCKAKRGSA-N 1 2 329.488 3.548 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCC=C2 ZINC000341627480 1022611246 /nfs/dbraw/zinc/61/12/46/1022611246.db2.gz DHFNWHDPDXLVKF-UHFFFAOYSA-N 1 2 329.403 3.762 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000330647414 1022627249 /nfs/dbraw/zinc/62/72/49/1022627249.db2.gz JGRPMFCOXXNDCK-VXGBXAGGSA-N 1 2 335.835 3.950 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000330647414 1022627259 /nfs/dbraw/zinc/62/72/59/1022627259.db2.gz JGRPMFCOXXNDCK-VXGBXAGGSA-N 1 2 335.835 3.950 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1cscn1 ZINC000517759521 1022638747 /nfs/dbraw/zinc/63/87/47/1022638747.db2.gz OMZLMKQLBVYJGU-GFCCVEGCSA-N 1 2 330.432 3.936 20 0 EHADLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(Br)c1 ZINC000506231018 1022653576 /nfs/dbraw/zinc/65/35/76/1022653576.db2.gz DEYVUWNSMUXXIR-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(Br)c1 ZINC000506231018 1022653585 /nfs/dbraw/zinc/65/35/85/1022653585.db2.gz DEYVUWNSMUXXIR-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CCC3CCC3)n2)O1 ZINC000665007495 1022666845 /nfs/dbraw/zinc/66/68/45/1022666845.db2.gz WRUICNZNOSNGKR-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CCC3CCC3)n2)O1 ZINC000665007495 1022666865 /nfs/dbraw/zinc/66/68/65/1022666865.db2.gz WRUICNZNOSNGKR-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665010509 1022709588 /nfs/dbraw/zinc/70/95/88/1022709588.db2.gz XOGVVTKUCWPEGU-CPUCHLNUSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665010509 1022709591 /nfs/dbraw/zinc/70/95/91/1022709591.db2.gz XOGVVTKUCWPEGU-CPUCHLNUSA-N 1 2 327.428 3.545 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000164372915 1022717143 /nfs/dbraw/zinc/71/71/43/1022717143.db2.gz GQRDIMHBMCKWGA-JXFKEZNVSA-N 1 2 348.450 3.934 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469503749 1022725779 /nfs/dbraw/zinc/72/57/79/1022725779.db2.gz TYRRIMKQBSCAEL-FQEVSTJZSA-N 1 2 336.435 3.688 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469503749 1022725788 /nfs/dbraw/zinc/72/57/88/1022725788.db2.gz TYRRIMKQBSCAEL-FQEVSTJZSA-N 1 2 336.435 3.688 20 0 EHADLO c1ccc(Cn2nnnc2C[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000517857213 1022760978 /nfs/dbraw/zinc/76/09/78/1022760978.db2.gz YLDDAXPLKJSIGA-UHFFFAOYSA-N 1 2 347.466 3.524 20 0 EHADLO c1ccc(Cn2nnnc2C[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000517857213 1022760995 /nfs/dbraw/zinc/76/09/95/1022760995.db2.gz YLDDAXPLKJSIGA-UHFFFAOYSA-N 1 2 347.466 3.524 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)Cc2cncc3ccccc32)cc(C)[nH+]1 ZINC000517915783 1022832263 /nfs/dbraw/zinc/83/22/63/1022832263.db2.gz WYCSXZISZGGSDK-CQSZACIVSA-N 1 2 333.435 3.742 20 0 EHADLO Cc1cc(CNc2cccc(NC(=O)N(C)C)c2)c2c([nH+]1)CCCC2 ZINC000894743812 1022842755 /nfs/dbraw/zinc/84/27/55/1022842755.db2.gz XXKXTMHEFXGHIV-UHFFFAOYSA-N 1 2 338.455 3.974 20 0 EHADLO Cc1cc(F)ncc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000894751369 1022847270 /nfs/dbraw/zinc/84/72/70/1022847270.db2.gz TTXXEGALRLEOOZ-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2CC(F)(F)F)CC[S@@]1=O ZINC000602685258 1033085616 /nfs/dbraw/zinc/08/56/16/1033085616.db2.gz ZWQGQKPNACRVMC-QFIPXVFZSA-N 1 2 333.419 3.524 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2CC(F)(F)F)CC[S@@]1=O ZINC000602685258 1033085629 /nfs/dbraw/zinc/08/56/29/1033085629.db2.gz ZWQGQKPNACRVMC-QFIPXVFZSA-N 1 2 333.419 3.524 20 0 EHADLO CCCc1csc(C[N@H+](C)Cc2ccccc2N2CCOCC2)n1 ZINC000426079305 1022855090 /nfs/dbraw/zinc/85/50/90/1022855090.db2.gz PBLRGYBKCKPILY-UHFFFAOYSA-N 1 2 345.512 3.564 20 0 EHADLO CCCc1csc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)n1 ZINC000426079305 1022855103 /nfs/dbraw/zinc/85/51/03/1022855103.db2.gz PBLRGYBKCKPILY-UHFFFAOYSA-N 1 2 345.512 3.564 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC000458970184 1022908465 /nfs/dbraw/zinc/90/84/65/1022908465.db2.gz SCUJHRJRJJLONZ-CVEARBPZSA-N 1 2 334.508 3.599 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)ccc1SC ZINC000506328562 1022945394 /nfs/dbraw/zinc/94/53/94/1022945394.db2.gz VFDOJGYTGZKAOA-GOSISDBHSA-N 1 2 329.465 3.991 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)ccc1SC ZINC000506328562 1022945400 /nfs/dbraw/zinc/94/54/00/1022945400.db2.gz VFDOJGYTGZKAOA-GOSISDBHSA-N 1 2 329.465 3.991 20 0 EHADLO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000189246364 1023002069 /nfs/dbraw/zinc/00/20/69/1023002069.db2.gz ASYOMOKFENXCQZ-UHFFFAOYSA-N 1 2 334.379 3.596 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c[nH+]1 ZINC000897683748 1033094395 /nfs/dbraw/zinc/09/43/95/1033094395.db2.gz SQFLKGCVPZOOFL-REPLKXPHSA-N 1 2 337.467 3.864 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000506366903 1023017756 /nfs/dbraw/zinc/01/77/56/1023017756.db2.gz APIMKHPEMATCEC-DGCLKSJQSA-N 1 2 333.794 3.585 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000189487575 1023038231 /nfs/dbraw/zinc/03/82/31/1023038231.db2.gz SUDGLGUUZSWEAL-LIRRHRJNSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CO)cc1 ZINC000189487575 1023038242 /nfs/dbraw/zinc/03/82/42/1023038242.db2.gz SUDGLGUUZSWEAL-LIRRHRJNSA-N 1 2 331.843 3.794 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)c1nccn1C ZINC000341696905 1023043773 /nfs/dbraw/zinc/04/37/73/1023043773.db2.gz MFSTXSDERWMBGG-GOSISDBHSA-N 1 2 340.402 3.987 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1sc(CC)nc1C ZINC000429619212 1023065772 /nfs/dbraw/zinc/06/57/72/1023065772.db2.gz BQBATVDRLUJSKP-UHFFFAOYSA-N 1 2 349.504 3.717 20 0 EHADLO Cc1nnc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)s1 ZINC000341704824 1023073011 /nfs/dbraw/zinc/07/30/11/1023073011.db2.gz HYPWDMMVFUKSEV-QGZVFWFLSA-N 1 2 325.437 3.756 20 0 EHADLO Cc1cc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c(C)c[nH+]1 ZINC000574389348 1033105379 /nfs/dbraw/zinc/10/53/79/1033105379.db2.gz LJPSXDHQEIZETO-UHFFFAOYSA-N 1 2 341.377 3.897 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)n2)cc1 ZINC000548427304 1023110844 /nfs/dbraw/zinc/11/08/44/1023110844.db2.gz WARDOGWFAJFOPI-WCQYABFASA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)n2)cc1 ZINC000548427304 1023110847 /nfs/dbraw/zinc/11/08/47/1023110847.db2.gz WARDOGWFAJFOPI-WCQYABFASA-N 1 2 325.334 3.818 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129646540 1023111111 /nfs/dbraw/zinc/11/11/11/1023111111.db2.gz NLENGCUAXFTPAS-IIDMSEBBSA-N 1 2 342.443 3.706 20 0 EHADLO COc1cc(CC2C[NH+](Cc3nc(C(C)(C)C)co3)C2)cc(OC)c1 ZINC000894827365 1023111572 /nfs/dbraw/zinc/11/15/72/1023111572.db2.gz AXXQMWIHETUJFU-UHFFFAOYSA-N 1 2 344.455 3.664 20 0 EHADLO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2CC)c(C)n1 ZINC000891862010 1023128737 /nfs/dbraw/zinc/12/87/37/1023128737.db2.gz PJQAUWLPFJJOOL-IBGZPJMESA-N 1 2 337.471 3.918 20 0 EHADLO CCn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2CC)c(C)n1 ZINC000891862010 1023128752 /nfs/dbraw/zinc/12/87/52/1023128752.db2.gz PJQAUWLPFJJOOL-IBGZPJMESA-N 1 2 337.471 3.918 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000610675688 1023181779 /nfs/dbraw/zinc/18/17/79/1023181779.db2.gz GHBYUPVMOSKJJB-OAHLLOKOSA-N 1 2 333.478 3.825 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000610675688 1023181785 /nfs/dbraw/zinc/18/17/85/1023181785.db2.gz GHBYUPVMOSKJJB-OAHLLOKOSA-N 1 2 333.478 3.825 20 0 EHADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439025289 1023216412 /nfs/dbraw/zinc/21/64/12/1023216412.db2.gz FXKRTIOXMBVUDB-UHFFFAOYSA-N 1 2 346.337 3.600 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(SCCOC)cc2)o1 ZINC000341742182 1023221143 /nfs/dbraw/zinc/22/11/43/1023221143.db2.gz HPNGZRJPMNDNPL-CHWSQXEVSA-N 1 2 335.473 3.782 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(SCCOC)cc2)o1 ZINC000341742185 1023221176 /nfs/dbraw/zinc/22/11/76/1023221176.db2.gz HPNGZRJPMNDNPL-QWHCGFSZSA-N 1 2 335.473 3.782 20 0 EHADLO CN(Cc1nc2ccccc2s1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439039627 1023229465 /nfs/dbraw/zinc/22/94/65/1023229465.db2.gz XTCONYZRSCMTSC-UHFFFAOYSA-N 1 2 337.408 3.608 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cccc(Br)c2F)n1 ZINC001137533266 1023233077 /nfs/dbraw/zinc/23/30/77/1023233077.db2.gz JAWZSGCRQAVJSE-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cccc(Br)c2F)n1 ZINC001137533266 1023233086 /nfs/dbraw/zinc/23/30/86/1023233086.db2.gz JAWZSGCRQAVJSE-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441492473 1023235466 /nfs/dbraw/zinc/23/54/66/1023235466.db2.gz QWIAACNMDGVCQQ-PKOBYXMFSA-N 1 2 343.471 3.563 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000507315674 1023240115 /nfs/dbraw/zinc/24/01/15/1023240115.db2.gz DZPALMAJQAVQKQ-LSDHHAIUSA-N 1 2 346.500 3.833 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2Cc3ccccc32)c(C)c1 ZINC000441494142 1023258315 /nfs/dbraw/zinc/25/83/15/1023258315.db2.gz VFAYNNNBZSATSP-LEWJYISDSA-N 1 2 345.446 3.697 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2Cc3ccccc32)c(C)c1 ZINC000441494148 1023258803 /nfs/dbraw/zinc/25/88/03/1023258803.db2.gz VFAYNNNBZSATSP-SFTDATJTSA-N 1 2 345.446 3.697 20 0 EHADLO CN(CC[N@H+](C)Cc1ncc(-c2ccccc2)o1)C(=O)OC(C)(C)C ZINC000091765942 1023307488 /nfs/dbraw/zinc/30/74/88/1023307488.db2.gz KUAOXCXBPLZDKV-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO CN(CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1)C(=O)OC(C)(C)C ZINC000091765942 1023307493 /nfs/dbraw/zinc/30/74/93/1023307493.db2.gz KUAOXCXBPLZDKV-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091890874 1023323922 /nfs/dbraw/zinc/32/39/22/1023323922.db2.gz ZBCVFONJLOADQX-CQSZACIVSA-N 1 2 326.415 3.773 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091890874 1023323935 /nfs/dbraw/zinc/32/39/35/1023323935.db2.gz ZBCVFONJLOADQX-CQSZACIVSA-N 1 2 326.415 3.773 20 0 EHADLO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)nc(C3CCC3)n2)cn1 ZINC000891932632 1023438272 /nfs/dbraw/zinc/43/82/72/1023438272.db2.gz DOKDFMDYZUYGOJ-UHFFFAOYSA-N 1 2 334.427 3.554 20 0 EHADLO C[C@@H](CCc1c(F)cccc1F)Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000510930151 1023504417 /nfs/dbraw/zinc/50/44/17/1023504417.db2.gz OYSDDMUFHWOMOZ-AWEZNQCLSA-N 1 2 347.409 3.630 20 0 EHADLO C[C@H](CC(=O)NCC(C)(C)c1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000582006151 1023506736 /nfs/dbraw/zinc/50/67/36/1023506736.db2.gz BKKCMOPMPLYURP-GFCCVEGCSA-N 1 2 337.826 3.721 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccccc1 ZINC000610786156 1023514607 /nfs/dbraw/zinc/51/46/07/1023514607.db2.gz LHFXRPYIYBMRRT-UHFFFAOYSA-N 1 2 341.455 3.564 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccccc1 ZINC000610786156 1023514616 /nfs/dbraw/zinc/51/46/16/1023514616.db2.gz LHFXRPYIYBMRRT-UHFFFAOYSA-N 1 2 341.455 3.564 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000535774186 1023625584 /nfs/dbraw/zinc/62/55/84/1023625584.db2.gz RRVDWXCNFFKEIR-SJORKVTESA-N 1 2 333.476 3.568 20 0 EHADLO c1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cn2)cc1 ZINC000535782187 1023630329 /nfs/dbraw/zinc/63/03/29/1023630329.db2.gz TUEZVRBNPNYOHK-HXUWFJFHSA-N 1 2 331.419 3.717 20 0 EHADLO c1ccc(-c2ncc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cn2)cc1 ZINC000535782187 1023630332 /nfs/dbraw/zinc/63/03/32/1023630332.db2.gz TUEZVRBNPNYOHK-HXUWFJFHSA-N 1 2 331.419 3.717 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000934045200 1023688841 /nfs/dbraw/zinc/68/88/41/1023688841.db2.gz ALFURLYLNDFAAP-INIZCTEOSA-N 1 2 342.443 3.929 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000341998761 1023749039 /nfs/dbraw/zinc/74/90/39/1023749039.db2.gz VKVHKDYBEDPDHV-SECBINFHSA-N 1 2 331.363 3.806 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCCCN4c4ccccc43)ccn12 ZINC000574463491 1033163187 /nfs/dbraw/zinc/16/31/87/1033163187.db2.gz QDIWLWPACTWEBY-KRWDZBQOSA-N 1 2 346.434 3.662 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000602769049 1033163663 /nfs/dbraw/zinc/16/36/63/1033163663.db2.gz QCIYTZRMKFPOHM-OAHLLOKOSA-N 1 2 334.416 3.796 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000602769049 1033163677 /nfs/dbraw/zinc/16/36/77/1033163677.db2.gz QCIYTZRMKFPOHM-OAHLLOKOSA-N 1 2 334.416 3.796 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncccc2C(F)(F)F)c(C)[nH+]1 ZINC000431556848 1033163777 /nfs/dbraw/zinc/16/37/77/1033163777.db2.gz CTYXMPIPKWUXOK-QFIPXVFZSA-N 1 2 328.359 3.561 20 0 EHADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966241 1023899577 /nfs/dbraw/zinc/89/95/77/1023899577.db2.gz IXYDJJYPOVMXMU-DZGCQCFKSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966241 1023899583 /nfs/dbraw/zinc/89/95/83/1023899583.db2.gz IXYDJJYPOVMXMU-DZGCQCFKSA-N 1 2 331.485 3.594 20 0 EHADLO COCCOCc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000342095184 1023927341 /nfs/dbraw/zinc/92/73/41/1023927341.db2.gz ZWMNLENSQLGRIX-UHFFFAOYSA-N 1 2 337.423 3.647 20 0 EHADLO O=C(c1cc(O)c2ccccc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000349276759 1033173168 /nfs/dbraw/zinc/17/31/68/1033173168.db2.gz ARUYPVPOWGQNKW-UHFFFAOYSA-N 1 2 346.430 3.503 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000513918181 1023955506 /nfs/dbraw/zinc/95/55/06/1023955506.db2.gz GUAKHXGBDXEXAU-KRWDZBQOSA-N 1 2 348.450 3.780 20 0 EHADLO CCC[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCC1 ZINC000458347999 1023975870 /nfs/dbraw/zinc/97/58/70/1023975870.db2.gz YJDOSFPGGXKTKA-HNNXBMFYSA-N 1 2 335.398 3.708 20 0 EHADLO O=C(Cc1cccc(Cl)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513987686 1024031258 /nfs/dbraw/zinc/03/12/58/1024031258.db2.gz OYLROHOYGDZCRV-QGZVFWFLSA-N 1 2 349.261 3.709 20 0 EHADLO CCc1ccsc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999493 1024041906 /nfs/dbraw/zinc/04/19/06/1024041906.db2.gz MYIUQJTXDMCUSZ-OAHLLOKOSA-N 1 2 334.872 3.751 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000514000966 1024045013 /nfs/dbraw/zinc/04/50/13/1024045013.db2.gz DKXKWXXMUXSJTR-HNNXBMFYSA-N 1 2 334.357 3.523 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000514000966 1024045019 /nfs/dbraw/zinc/04/50/19/1024045019.db2.gz DKXKWXXMUXSJTR-HNNXBMFYSA-N 1 2 334.357 3.523 20 0 EHADLO CCCCOC1CC[NH+](Cc2nc([C@H](C)OCC(C)C)no2)CC1 ZINC000342106489 1024047331 /nfs/dbraw/zinc/04/73/31/1024047331.db2.gz BCZYGCJRBOOVJQ-HNNXBMFYSA-N 1 2 339.480 3.584 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000151100735 1024048983 /nfs/dbraw/zinc/04/89/83/1024048983.db2.gz MUPYPMOWVANQNT-OAHLLOKOSA-N 1 2 349.276 3.898 20 0 EHADLO C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)CC(C)(C)C ZINC000443505565 1024058535 /nfs/dbraw/zinc/05/85/35/1024058535.db2.gz AAJJHNVNOZAKEJ-JKSUJKDBSA-N 1 2 334.508 3.560 20 0 EHADLO C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)CC(C)(C)C ZINC000443505565 1024058550 /nfs/dbraw/zinc/05/85/50/1024058550.db2.gz AAJJHNVNOZAKEJ-JKSUJKDBSA-N 1 2 334.508 3.560 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000434472941 1024060584 /nfs/dbraw/zinc/06/05/84/1024060584.db2.gz CPNXFRYHXITEFW-LJQANCHMSA-N 1 2 336.439 3.769 20 0 EHADLO c1cn(-c2ccccc2CNc2cncc(-c3ccccc3)n2)c[nH+]1 ZINC000443513647 1024064299 /nfs/dbraw/zinc/06/42/99/1024064299.db2.gz BMRISKMGJLHSAX-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cc1cccnc1CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443514004 1024071387 /nfs/dbraw/zinc/07/13/87/1024071387.db2.gz DOKBCWWYRXNNPA-UHFFFAOYSA-N 1 2 346.203 3.874 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccco3)c3ccccc3)[nH+]c12 ZINC000522236775 1024077801 /nfs/dbraw/zinc/07/78/01/1024077801.db2.gz UQDJEXXKFZQZPU-HXUWFJFHSA-N 1 2 345.402 3.684 20 0 EHADLO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000522251516 1024112136 /nfs/dbraw/zinc/11/21/36/1024112136.db2.gz CLNSLLPYICINJS-LJQANCHMSA-N 1 2 349.459 3.800 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH+]1CCN(c3ncccc3Cl)CC1)CC2 ZINC000535553835 1024123417 /nfs/dbraw/zinc/12/34/17/1024123417.db2.gz IMADVAAXOBFCNO-QGZVFWFLSA-N 1 2 331.822 3.684 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000151510996 1024165010 /nfs/dbraw/zinc/16/50/10/1024165010.db2.gz SGDWQVUPBZIRDP-ZDUSSCGKSA-N 1 2 332.835 3.560 20 0 EHADLO O=C(CCc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342133583 1024202726 /nfs/dbraw/zinc/20/27/26/1024202726.db2.gz RETKOXRBCLYWRQ-UHFFFAOYSA-N 1 2 327.334 3.722 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000434619877 1024207702 /nfs/dbraw/zinc/20/77/02/1024207702.db2.gz HBNFRIQVNPJHOZ-MRXNPFEDSA-N 1 2 326.366 3.511 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000434619877 1024207721 /nfs/dbraw/zinc/20/77/21/1024207721.db2.gz HBNFRIQVNPJHOZ-MRXNPFEDSA-N 1 2 326.366 3.511 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)s1 ZINC000505453031 1024236700 /nfs/dbraw/zinc/23/67/00/1024236700.db2.gz HVSMNKHJLYUCCH-OAHLLOKOSA-N 1 2 332.444 3.797 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)o1 ZINC000231635170 1024237455 /nfs/dbraw/zinc/23/74/55/1024237455.db2.gz DAULFFZVFMPQGQ-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152386133 1024308237 /nfs/dbraw/zinc/30/82/37/1024308237.db2.gz VVUZSEFKHZHMQP-GJZGRUSLSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152386133 1024308253 /nfs/dbraw/zinc/30/82/53/1024308253.db2.gz VVUZSEFKHZHMQP-GJZGRUSLSA-N 1 2 338.835 3.716 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000425145340 1024324136 /nfs/dbraw/zinc/32/41/36/1024324136.db2.gz OBMRTGSMALXUPC-FUHWJXTLSA-N 1 2 334.423 3.624 20 0 EHADLO COc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c(OC)c1 ZINC000101597074 1024345251 /nfs/dbraw/zinc/34/52/51/1024345251.db2.gz UIQTYRYVKOLMSW-QGZVFWFLSA-N 1 2 333.428 3.800 20 0 EHADLO CCCc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)sc1C ZINC000505490618 1024348629 /nfs/dbraw/zinc/34/86/29/1024348629.db2.gz FUNGMSVZGOQSMZ-KRWDZBQOSA-N 1 2 346.471 3.935 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425158655 1024348828 /nfs/dbraw/zinc/34/88/28/1024348828.db2.gz QXCGYMLMGYROBL-ZWKOTPCHSA-N 1 2 325.456 3.969 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152405734 1024363863 /nfs/dbraw/zinc/36/38/63/1024363863.db2.gz CHWLKOOUYJOCMV-APWZRJJASA-N 1 2 337.467 3.533 20 0 EHADLO CC(C)(C)N(Cc1ccccn1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000280889483 1024404139 /nfs/dbraw/zinc/40/41/39/1024404139.db2.gz BOOQDXTZTDTSFE-UHFFFAOYSA-N 1 2 348.450 3.767 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000840167119 1024438603 /nfs/dbraw/zinc/43/86/03/1024438603.db2.gz PQBOJGLIUNUDAK-GFCCVEGCSA-N 1 2 334.464 3.717 20 0 EHADLO Cc1nn(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000840167119 1024438611 /nfs/dbraw/zinc/43/86/11/1024438611.db2.gz PQBOJGLIUNUDAK-GFCCVEGCSA-N 1 2 334.464 3.717 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2cc(N3CCCC3)nc[nH+]2)cc1OC ZINC000277283529 1024447745 /nfs/dbraw/zinc/44/77/45/1024447745.db2.gz BBPFSIFYAXGLRT-CQSZACIVSA-N 1 2 342.443 3.576 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2cc(N3CCCC3)[nH+]cn2)cc1OC ZINC000277283529 1024447754 /nfs/dbraw/zinc/44/77/54/1024447754.db2.gz BBPFSIFYAXGLRT-CQSZACIVSA-N 1 2 342.443 3.576 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC(F)F)CC1CCC1 ZINC000425222766 1024467371 /nfs/dbraw/zinc/46/73/71/1024467371.db2.gz HIPLGTXQTPXMCY-INIZCTEOSA-N 1 2 347.409 3.826 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614656730 1024472042 /nfs/dbraw/zinc/47/20/42/1024472042.db2.gz FDQGYTDWOPPIAF-ROUUACIJSA-N 1 2 339.483 4.000 20 0 EHADLO CCC1(CC)C[N@H+](CCSc2ccccc2F)CC[S@@]1=O ZINC000346172790 1024486105 /nfs/dbraw/zinc/48/61/05/1024486105.db2.gz FCGCHJDSZZPSGW-NRFANRHFSA-N 1 2 329.506 3.541 20 0 EHADLO CCC1(CC)C[N@@H+](CCSc2ccccc2F)CC[S@@]1=O ZINC000346172790 1024486110 /nfs/dbraw/zinc/48/61/10/1024486110.db2.gz FCGCHJDSZZPSGW-NRFANRHFSA-N 1 2 329.506 3.541 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425244693 1024501181 /nfs/dbraw/zinc/50/11/81/1024501181.db2.gz ZQUPYXINNYBZIA-FQEVSTJZSA-N 1 2 347.462 3.907 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000052246154 1024507631 /nfs/dbraw/zinc/50/76/31/1024507631.db2.gz IIJHTFXJUAKMRX-QGZVFWFLSA-N 1 2 333.370 3.704 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000505574617 1024517956 /nfs/dbraw/zinc/51/79/56/1024517956.db2.gz ZBYOSFVFQUUEKM-YEFOHOTDSA-N 1 2 349.478 3.781 20 0 EHADLO O=C1c2ccccc2N[C@@H](c2cc(-n3cc[nH+]c3)cs2)N1C1CC1 ZINC000342242171 1024519623 /nfs/dbraw/zinc/51/96/23/1024519623.db2.gz HBHCYGSMLWAGBX-QGZVFWFLSA-N 1 2 336.420 3.663 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@@H](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000346240897 1024555529 /nfs/dbraw/zinc/55/55/29/1024555529.db2.gz YVPXMQBSKYEJIZ-QFIPXVFZSA-N 1 2 347.462 3.624 20 0 EHADLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428806 1024559110 /nfs/dbraw/zinc/55/91/10/1024559110.db2.gz NUUDPDVUBCIDNU-MNOVXSKESA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428806 1024559115 /nfs/dbraw/zinc/55/91/15/1024559115.db2.gz NUUDPDVUBCIDNU-MNOVXSKESA-N 1 2 337.769 3.831 20 0 EHADLO CCC[C@](C)([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000934183280 1024570641 /nfs/dbraw/zinc/57/06/41/1024570641.db2.gz BJNABMIDDJZAMU-HNNXBMFYSA-N 1 2 327.350 3.980 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000413428058 1024596571 /nfs/dbraw/zinc/59/65/71/1024596571.db2.gz ALWKXXRASRYDSS-QGZVFWFLSA-N 1 2 333.439 3.875 20 0 EHADLO COc1ccc2cc(C[NH2+]Cc3nccc(C(F)F)n3)ccc2c1 ZINC000342263068 1024617030 /nfs/dbraw/zinc/61/70/30/1024617030.db2.gz JFMUSUQXLOLFPW-UHFFFAOYSA-N 1 2 329.350 3.866 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665198408 1024620889 /nfs/dbraw/zinc/62/08/89/1024620889.db2.gz XCSOXBUERYIYJD-OAHLLOKOSA-N 1 2 344.484 3.865 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CCC(n4cccn4)CC3)c2c1 ZINC000892085001 1024631241 /nfs/dbraw/zinc/63/12/41/1024631241.db2.gz GYWITXWSYCPCCR-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671373 1024641802 /nfs/dbraw/zinc/64/18/02/1024641802.db2.gz GEDYYNRZRYOUJA-AEFFLSMTSA-N 1 2 349.544 3.824 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614668821 1024642026 /nfs/dbraw/zinc/64/20/26/1024642026.db2.gz IDJRXMKURLBLGI-MRXNPFEDSA-N 1 2 337.533 3.680 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@@H]1CO ZINC001143430060 1024646584 /nfs/dbraw/zinc/64/65/84/1024646584.db2.gz YVIIHCQLNHBZHT-ZWNOBZJWSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@@H]1CO ZINC001143430060 1024646590 /nfs/dbraw/zinc/64/65/90/1024646590.db2.gz YVIIHCQLNHBZHT-ZWNOBZJWSA-N 1 2 337.769 3.831 20 0 EHADLO CN(C)c1ccc[nH+]c1Nc1ccc(F)c(C(=O)N2CCCCC2)c1 ZINC001211874041 1024653686 /nfs/dbraw/zinc/65/36/86/1024653686.db2.gz URWAKLHNWBVDPN-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000346332255 1024655831 /nfs/dbraw/zinc/65/58/31/1024655831.db2.gz IIYGQQBRCSPUFM-CQSZACIVSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](Cc1cscn1)C2 ZINC001137591407 1024669480 /nfs/dbraw/zinc/66/94/80/1024669480.db2.gz PVOKRMGNQRLEQP-KRWDZBQOSA-N 1 2 337.489 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](Cc1cscn1)C2 ZINC001137591407 1024669487 /nfs/dbraw/zinc/66/94/87/1024669487.db2.gz PVOKRMGNQRLEQP-KRWDZBQOSA-N 1 2 337.489 3.509 20 0 EHADLO CCc1cc(C)cc(CC)c1NC(=O)NCCNc1cccc[nH+]1 ZINC000435183282 1024684189 /nfs/dbraw/zinc/68/41/89/1024684189.db2.gz YNWBIGOGOPOHQL-UHFFFAOYSA-N 1 2 326.444 3.748 20 0 EHADLO CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000425301476 1024699123 /nfs/dbraw/zinc/69/91/23/1024699123.db2.gz MDFJTZMFXJYIBN-DLBZAZTESA-N 1 2 325.456 3.969 20 0 EHADLO c1ccc(NCCCCC2CCOCC2)c(C[NH+]2CCOCC2)c1 ZINC000281171967 1024701981 /nfs/dbraw/zinc/70/19/81/1024701981.db2.gz LFPQFXDXAOTMLZ-UHFFFAOYSA-N 1 2 332.488 3.528 20 0 EHADLO COc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000602877196 1033230270 /nfs/dbraw/zinc/23/02/70/1033230270.db2.gz FACRRQRSVOXJKH-NXEZZACHSA-N 1 2 342.283 3.653 20 0 EHADLO Cc1cccc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342295188 1024744139 /nfs/dbraw/zinc/74/41/39/1024744139.db2.gz IPXAPZMHHNUFJE-LJQANCHMSA-N 1 2 333.435 3.599 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000425319223 1024747664 /nfs/dbraw/zinc/74/76/64/1024747664.db2.gz AFIVMSCZRZGMHT-KRWDZBQOSA-N 1 2 337.826 3.830 20 0 EHADLO CC1(C)C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435326411 1024786015 /nfs/dbraw/zinc/78/60/15/1024786015.db2.gz DJEJHWYOHREAED-MRXNPFEDSA-N 1 2 331.847 3.611 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2c(c1)OCO2 ZINC000281251180 1024787111 /nfs/dbraw/zinc/78/71/11/1024787111.db2.gz XFXCLSYEUSCQRP-QMMMGPOBSA-N 1 2 327.277 3.823 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000514862307 1024793676 /nfs/dbraw/zinc/79/36/76/1024793676.db2.gz HTWHOWSECCIKAX-AHRSYUTCSA-N 1 2 341.499 3.503 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)cn1 ZINC000281232131 1024793890 /nfs/dbraw/zinc/79/38/90/1024793890.db2.gz UTFBWULAZAEZLP-HZMBPMFUSA-N 1 2 344.308 3.504 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCCO1 ZINC000281232565 1024793918 /nfs/dbraw/zinc/79/39/18/1024793918.db2.gz CKWWWKGWNVAMFX-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCCO1 ZINC000281232565 1024793926 /nfs/dbraw/zinc/79/39/26/1024793926.db2.gz CKWWWKGWNVAMFX-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000514862310 1024794310 /nfs/dbraw/zinc/79/43/10/1024794310.db2.gz HTWHOWSECCIKAX-LSTHTHJFSA-N 1 2 341.499 3.503 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1ncco1 ZINC000895766645 1024794641 /nfs/dbraw/zinc/79/46/41/1024794641.db2.gz WJQZOFFFWUNTPU-PELKAZGASA-N 1 2 325.181 3.914 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+]Cc2csc(C3CC3)n2)c(Cl)c1 ZINC000425340840 1024803058 /nfs/dbraw/zinc/80/30/58/1024803058.db2.gz BHSWCYYSUGNRDB-UHFFFAOYSA-N 1 2 335.860 3.711 20 0 EHADLO Cc1csc(N2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)n1 ZINC000425341107 1024803960 /nfs/dbraw/zinc/80/39/60/1024803960.db2.gz CCUTVNNFWLPYRI-UHFFFAOYSA-N 1 2 343.500 3.528 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(Cc3cccc(F)c3)CC2)c[nH+]1 ZINC000895772748 1024815367 /nfs/dbraw/zinc/81/53/67/1024815367.db2.gz KJOQQEMKNVBDBX-UHFFFAOYSA-N 1 2 343.446 3.547 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1Cl ZINC000425351810 1024835377 /nfs/dbraw/zinc/83/53/77/1024835377.db2.gz NRTQDADZIRDKCE-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)ccc1Cl ZINC000425351810 1024835404 /nfs/dbraw/zinc/83/54/04/1024835404.db2.gz NRTQDADZIRDKCE-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO CCOC[C@@H]1CCC[C@H]1Nc1ccccc1OCCn1cc[nH+]c1 ZINC000474377918 1024854105 /nfs/dbraw/zinc/85/41/05/1024854105.db2.gz SFMMPQZWMSPVSB-DLBZAZTESA-N 1 2 329.444 3.579 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)cc(OC)c1 ZINC000508053395 1024859988 /nfs/dbraw/zinc/85/99/88/1024859988.db2.gz ITFWVRRLUFOFHB-CYBMUJFWSA-N 1 2 346.496 3.917 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)C[C@H](C)CC3)cc(OC)c1 ZINC000508053395 1024860007 /nfs/dbraw/zinc/86/00/07/1024860007.db2.gz ITFWVRRLUFOFHB-CYBMUJFWSA-N 1 2 346.496 3.917 20 0 EHADLO CSc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)ccn1 ZINC000346562542 1024865657 /nfs/dbraw/zinc/86/56/57/1024865657.db2.gz NSFFNFANELXEAQ-GOSISDBHSA-N 1 2 340.427 3.612 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000151875774 1024870591 /nfs/dbraw/zinc/87/05/91/1024870591.db2.gz LMHSGRDWXWCSEO-MEDUHNTESA-N 1 2 335.810 3.707 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000425367414 1024877326 /nfs/dbraw/zinc/87/73/26/1024877326.db2.gz IAQDJUWXJJPJRY-INIZCTEOSA-N 1 2 349.276 3.959 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)o1 ZINC000895838649 1024880755 /nfs/dbraw/zinc/88/07/55/1024880755.db2.gz XZZRNJAAGSOVPX-UHFFFAOYSA-N 1 2 343.349 3.520 20 0 EHADLO CCn1c(C[NH2+][C@H](COC)c2ccc(F)cc2)nc2cc(F)ccc21 ZINC000342329602 1024900910 /nfs/dbraw/zinc/90/09/10/1024900910.db2.gz WCDTWEFWRAHTMG-QGZVFWFLSA-N 1 2 345.393 3.812 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000895836077 1024902568 /nfs/dbraw/zinc/90/25/68/1024902568.db2.gz JCMZLWYKGDSEQB-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000895836077 1024902580 /nfs/dbraw/zinc/90/25/80/1024902580.db2.gz JCMZLWYKGDSEQB-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO Cc1nc(C)c(CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)s1 ZINC000895853054 1024912227 /nfs/dbraw/zinc/91/22/27/1024912227.db2.gz BNBPJOQEDGECKE-UHFFFAOYSA-N 1 2 340.452 3.948 20 0 EHADLO CCOC(=O)c1cc(CNc2ccc3[nH+]c(C)cc(C)c3c2)on1 ZINC000895879717 1024925442 /nfs/dbraw/zinc/92/54/42/1024925442.db2.gz UZEXSAQZJNIKGC-UHFFFAOYSA-N 1 2 325.368 3.628 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000281354214 1024931963 /nfs/dbraw/zinc/93/19/63/1024931963.db2.gz NHFJTORLGRQCHU-UHFFFAOYSA-N 1 2 327.325 3.889 20 0 EHADLO FC(F)(F)c1ccccc1C1(F)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000281354214 1024931969 /nfs/dbraw/zinc/93/19/69/1024931969.db2.gz NHFJTORLGRQCHU-UHFFFAOYSA-N 1 2 327.325 3.889 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435448537 1024933303 /nfs/dbraw/zinc/93/33/03/1024933303.db2.gz XOQOLGHOTJPWNV-AWEZNQCLSA-N 1 2 325.474 3.581 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435448537 1024933308 /nfs/dbraw/zinc/93/33/08/1024933308.db2.gz XOQOLGHOTJPWNV-AWEZNQCLSA-N 1 2 325.474 3.581 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000346600346 1024937338 /nfs/dbraw/zinc/93/73/38/1024937338.db2.gz FZCMJMSZBDKFEO-UONOGXRCSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000346600346 1024937345 /nfs/dbraw/zinc/93/73/45/1024937345.db2.gz FZCMJMSZBDKFEO-UONOGXRCSA-N 1 2 334.847 3.939 20 0 EHADLO O=C(NCc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342335260 1024937994 /nfs/dbraw/zinc/93/79/94/1024937994.db2.gz QBINQPOXPYDJKB-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1F ZINC000346600407 1024938034 /nfs/dbraw/zinc/93/80/34/1024938034.db2.gz GSTNCICVQISQJP-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1F ZINC000346600407 1024938050 /nfs/dbraw/zinc/93/80/50/1024938050.db2.gz GSTNCICVQISQJP-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157571783 1024958913 /nfs/dbraw/zinc/95/89/13/1024958913.db2.gz PAGKKVSRQKTPFK-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000157637535 1024976392 /nfs/dbraw/zinc/97/63/92/1024976392.db2.gz VJEQXRTWYWUBTA-ZDUSSCGKSA-N 1 2 349.862 3.760 20 0 EHADLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000157637535 1024976406 /nfs/dbraw/zinc/97/64/06/1024976406.db2.gz VJEQXRTWYWUBTA-ZDUSSCGKSA-N 1 2 349.862 3.760 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054834 1033255071 /nfs/dbraw/zinc/25/50/71/1033255071.db2.gz JXAQPBGEWOWOHD-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054834 1033255083 /nfs/dbraw/zinc/25/50/83/1033255083.db2.gz JXAQPBGEWOWOHD-GHMZBOCLSA-N 1 2 334.769 3.860 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151963861 1025018864 /nfs/dbraw/zinc/01/88/64/1025018864.db2.gz HGJZVZKEWHTODI-GOSISDBHSA-N 1 2 345.446 3.771 20 0 EHADLO CC(C)OC[C@@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000353200316 1025048061 /nfs/dbraw/zinc/04/80/61/1025048061.db2.gz IVYVGAPMAVBOMI-ZDUSSCGKSA-N 1 2 332.271 3.744 20 0 EHADLO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000353200316 1025048074 /nfs/dbraw/zinc/04/80/74/1025048074.db2.gz IVYVGAPMAVBOMI-ZDUSSCGKSA-N 1 2 332.271 3.744 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548652908 1025050500 /nfs/dbraw/zinc/05/05/00/1025050500.db2.gz OGEQPKCUMMUOLC-HKUYNNGSSA-N 1 2 340.471 3.675 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1F ZINC000120077086 1033255780 /nfs/dbraw/zinc/25/57/80/1033255780.db2.gz LRYBLFKNFXNHMX-CVEARBPZSA-N 1 2 343.446 3.534 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(C)nc2)nnn1-c1ccc(Cl)cc1 ZINC000346789816 1025101493 /nfs/dbraw/zinc/10/14/93/1025101493.db2.gz CXXXMFKBRSORPS-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000582051675 1025102164 /nfs/dbraw/zinc/10/21/64/1025102164.db2.gz SNAIUJJNUROQBW-HOTGVXAUSA-N 1 2 341.459 3.663 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548657221 1025114327 /nfs/dbraw/zinc/11/43/27/1025114327.db2.gz FAACGTFOPGKEQW-IRXDYDNUSA-N 1 2 346.519 3.882 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000119658226 1025123645 /nfs/dbraw/zinc/12/36/45/1025123645.db2.gz CMULKIBGXLAQTJ-QGZVFWFLSA-N 1 2 347.462 3.597 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582065184 1025141329 /nfs/dbraw/zinc/14/13/29/1025141329.db2.gz CRUOVTQEOBKKNX-LPHOPBHVSA-N 1 2 325.456 3.658 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000157797034 1025142992 /nfs/dbraw/zinc/14/29/92/1025142992.db2.gz VSVMLSYGQUDFTQ-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000157797034 1025143002 /nfs/dbraw/zinc/14/30/02/1025143002.db2.gz VSVMLSYGQUDFTQ-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO CSCCCCC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000342392782 1025172587 /nfs/dbraw/zinc/17/25/87/1025172587.db2.gz JHPAPCQZJWKIMD-OAHLLOKOSA-N 1 2 338.492 3.564 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCC2CC3(C2)OCCO3)c1 ZINC000896154392 1025180753 /nfs/dbraw/zinc/18/07/53/1025180753.db2.gz QYVVEMKTSUMWCU-UHFFFAOYSA-N 1 2 338.329 3.819 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)s1 ZINC000897993359 1033264306 /nfs/dbraw/zinc/26/43/06/1033264306.db2.gz CPIKJYRTHMYWKG-HNNXBMFYSA-N 1 2 333.457 3.510 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000657324405 1025183332 /nfs/dbraw/zinc/18/33/32/1025183332.db2.gz RDTQAVBSSDZCFF-UHFFFAOYSA-N 1 2 327.350 3.695 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1CCF ZINC000281566775 1025219735 /nfs/dbraw/zinc/21/97/35/1025219735.db2.gz DOEKNRARBDEFMO-QGZVFWFLSA-N 1 2 348.466 3.913 20 0 EHADLO c1cc([C@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cs1 ZINC000425426940 1025258718 /nfs/dbraw/zinc/25/87/18/1025258718.db2.gz SXTYQTGUAPXMEM-LJQANCHMSA-N 1 2 337.448 3.779 20 0 EHADLO c1cc([C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cs1 ZINC000425426940 1025258732 /nfs/dbraw/zinc/25/87/32/1025258732.db2.gz SXTYQTGUAPXMEM-LJQANCHMSA-N 1 2 337.448 3.779 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000897975863 1033271745 /nfs/dbraw/zinc/27/17/45/1033271745.db2.gz OGKFQZQZZDDSFG-SFHVURJKSA-N 1 2 337.467 3.723 20 0 EHADLO CCN(CC)c1ccc(NCc2c[nH]nc2-c2ccsc2)c[nH+]1 ZINC000436022630 1025307073 /nfs/dbraw/zinc/30/70/73/1025307073.db2.gz SZJVIIOYTCLFRI-UHFFFAOYSA-N 1 2 327.457 3.992 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346927740 1025320710 /nfs/dbraw/zinc/32/07/10/1025320710.db2.gz VOHMXTNSHSKFEX-YJBOKZPZSA-N 1 2 325.456 3.876 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152203948 1025327462 /nfs/dbraw/zinc/32/74/62/1025327462.db2.gz FEJYQOYGWMQGRW-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152203948 1025327470 /nfs/dbraw/zinc/32/74/70/1025327470.db2.gz FEJYQOYGWMQGRW-YPMHNXCESA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000559541999 1025371663 /nfs/dbraw/zinc/37/16/63/1025371663.db2.gz UBOMLEUBCUYIAS-OAHLLOKOSA-N 1 2 332.463 3.857 20 0 EHADLO CCc1noc([C@@H]2CC[C@H](Nc3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000896350314 1025372776 /nfs/dbraw/zinc/37/27/76/1025372776.db2.gz SIZHVZHHLSMGMI-OLZOCXBDSA-N 1 2 348.410 3.576 20 0 EHADLO CSc1c(F)cccc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000436080302 1025372919 /nfs/dbraw/zinc/37/29/19/1025372919.db2.gz VDJLGXNADLHIFI-KRWDZBQOSA-N 1 2 344.455 3.677 20 0 EHADLO CSc1c(F)cccc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000436080302 1025372932 /nfs/dbraw/zinc/37/29/32/1025372932.db2.gz VDJLGXNADLHIFI-KRWDZBQOSA-N 1 2 344.455 3.677 20 0 EHADLO CC(C)CC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660437 1025403621 /nfs/dbraw/zinc/40/36/21/1025403621.db2.gz ZIYRINMPOXAWRD-IRXDYDNUSA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)CC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660437 1025403628 /nfs/dbraw/zinc/40/36/28/1025403628.db2.gz ZIYRINMPOXAWRD-IRXDYDNUSA-N 1 2 336.426 3.653 20 0 EHADLO Cc1ccc(F)c2oc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc21 ZINC000934316655 1025417867 /nfs/dbraw/zinc/41/78/67/1025417867.db2.gz ONWQDPCOTWUJMT-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO Cc1ccc(F)c2oc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc21 ZINC000934316655 1025417871 /nfs/dbraw/zinc/41/78/71/1025417871.db2.gz ONWQDPCOTWUJMT-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)ccn1 ZINC000657356821 1025442188 /nfs/dbraw/zinc/44/21/88/1025442188.db2.gz SHWDHWUEHVWNII-OAHLLOKOSA-N 1 2 343.475 3.501 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CCS1 ZINC000896454466 1025445905 /nfs/dbraw/zinc/44/59/05/1025445905.db2.gz ZCUWRALLLKMEMR-GFCCVEGCSA-N 1 2 345.415 3.685 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CCS1 ZINC000896454466 1025445912 /nfs/dbraw/zinc/44/59/12/1025445912.db2.gz ZCUWRALLLKMEMR-GFCCVEGCSA-N 1 2 345.415 3.685 20 0 EHADLO Cc1cn2cc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccc2[nH+]1 ZINC000281763954 1025454010 /nfs/dbraw/zinc/45/40/10/1025454010.db2.gz FUCRTPBVAYQCOA-UHFFFAOYSA-N 1 2 347.422 3.726 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CC45CCSCC5)n3)[nH+]c12 ZINC000521551924 1025457664 /nfs/dbraw/zinc/45/76/64/1025457664.db2.gz WCNFUZRNVHINTL-CQSZACIVSA-N 1 2 340.452 3.617 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4cc5ccccc5o4)no3)c2)c[nH+]1 ZINC000347075162 1025471121 /nfs/dbraw/zinc/47/11/21/1025471121.db2.gz DHIUEHRPFNXXCQ-UHFFFAOYSA-N 1 2 329.319 3.731 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@H]1C1CCCC1 ZINC000896478828 1025485209 /nfs/dbraw/zinc/48/52/09/1025485209.db2.gz CLGASXWSDKUDBL-MOPGFXCFSA-N 1 2 338.455 3.599 20 0 EHADLO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000474809309 1025489357 /nfs/dbraw/zinc/48/93/57/1025489357.db2.gz MUXOGCNVTJLDJR-UHFFFAOYSA-N 1 2 335.455 3.782 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cs2)o1 ZINC000347080260 1025500724 /nfs/dbraw/zinc/50/07/24/1025500724.db2.gz IXRBWWMJZPXYFW-MRXNPFEDSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cs2)o1 ZINC000347080260 1025500733 /nfs/dbraw/zinc/50/07/33/1025500733.db2.gz IXRBWWMJZPXYFW-MRXNPFEDSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000521602685 1025504754 /nfs/dbraw/zinc/50/47/54/1025504754.db2.gz CERHESJVADICES-MJGOQNOKSA-N 1 2 341.430 3.973 20 0 EHADLO CC[N@H+](Cc1cnc(C)cn1)Cc1cc(Br)ccc1F ZINC000505784427 1025526353 /nfs/dbraw/zinc/52/63/53/1025526353.db2.gz PYHVRISLOKNVQZ-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CC[N@@H+](Cc1cnc(C)cn1)Cc1cc(Br)ccc1F ZINC000505784427 1025526362 /nfs/dbraw/zinc/52/63/62/1025526362.db2.gz PYHVRISLOKNVQZ-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000303588305 1025533963 /nfs/dbraw/zinc/53/39/63/1025533963.db2.gz GWPLDVAROBBGSG-PQUAAJSLSA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000303588305 1025533973 /nfs/dbraw/zinc/53/39/73/1025533973.db2.gz GWPLDVAROBBGSG-PQUAAJSLSA-N 1 2 332.488 3.601 20 0 EHADLO C[C@@H](C(=O)N(Cc1ccco1)c1ccc(Cl)cc1)[NH+]1CC(C)C1 ZINC000582189958 1025554011 /nfs/dbraw/zinc/55/40/11/1025554011.db2.gz GLLLONJFEYYIMB-AWEZNQCLSA-N 1 2 332.831 3.806 20 0 EHADLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882282 1025559798 /nfs/dbraw/zinc/55/97/98/1025559798.db2.gz CZKCIWHGXWMYHI-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882282 1025559805 /nfs/dbraw/zinc/55/98/05/1025559805.db2.gz CZKCIWHGXWMYHI-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000442883604 1025564947 /nfs/dbraw/zinc/56/49/47/1025564947.db2.gz HVGINNVYTRWBMO-SECBINFHSA-N 1 2 332.395 3.949 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000442883604 1025564956 /nfs/dbraw/zinc/56/49/56/1025564956.db2.gz HVGINNVYTRWBMO-SECBINFHSA-N 1 2 332.395 3.949 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281841561 1025565474 /nfs/dbraw/zinc/56/54/74/1025565474.db2.gz ANYPWHXDGBXAAC-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000347141431 1025565755 /nfs/dbraw/zinc/56/57/55/1025565755.db2.gz WJVAHRJPCYLIJF-LBPRGKRZSA-N 1 2 328.382 3.653 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000347141431 1025565763 /nfs/dbraw/zinc/56/57/63/1025565763.db2.gz WJVAHRJPCYLIJF-LBPRGKRZSA-N 1 2 328.382 3.653 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281850991 1025579247 /nfs/dbraw/zinc/57/92/47/1025579247.db2.gz BEVBWEMGOKKWHP-MOEXGYKKSA-N 1 2 341.480 3.700 20 0 EHADLO Cc1ccc(N2CCOCC2)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000281836607 1025582735 /nfs/dbraw/zinc/58/27/35/1025582735.db2.gz XMBKAQDPBWLPEO-UHFFFAOYSA-N 1 2 348.450 3.629 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000281837058 1025583082 /nfs/dbraw/zinc/58/30/82/1025583082.db2.gz HRSUZHRBCPJNMB-PMUMKWKESA-N 1 2 339.439 3.638 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451146153 1025595601 /nfs/dbraw/zinc/59/56/01/1025595601.db2.gz MCUZSINXHQWIRG-UMNHJUIQSA-N 1 2 348.365 3.711 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451146153 1025595612 /nfs/dbraw/zinc/59/56/12/1025595612.db2.gz MCUZSINXHQWIRG-UMNHJUIQSA-N 1 2 348.365 3.711 20 0 EHADLO O=C(C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)N1CCCCC1 ZINC000511092765 1025605770 /nfs/dbraw/zinc/60/57/70/1025605770.db2.gz UYACBRNHZCXASN-UHFFFAOYSA-N 1 2 338.854 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)N1CCCCC1 ZINC000511092765 1025605773 /nfs/dbraw/zinc/60/57/73/1025605773.db2.gz UYACBRNHZCXASN-UHFFFAOYSA-N 1 2 338.854 3.704 20 0 EHADLO OC1CCC2(CC1)CC[NH+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000451157074 1025610220 /nfs/dbraw/zinc/61/02/20/1025610220.db2.gz VWBPUNJTPWPSCQ-UHFFFAOYSA-N 1 2 334.407 3.679 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000442959456 1025622005 /nfs/dbraw/zinc/62/20/05/1025622005.db2.gz ABCOTTDMGHMIGA-APWZRJJASA-N 1 2 337.467 3.666 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000684798550 1025627833 /nfs/dbraw/zinc/62/78/33/1025627833.db2.gz UBWHMLUYOGMMOY-GOSISDBHSA-N 1 2 347.466 3.952 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000684798550 1025627844 /nfs/dbraw/zinc/62/78/44/1025627844.db2.gz UBWHMLUYOGMMOY-GOSISDBHSA-N 1 2 347.466 3.952 20 0 EHADLO C[C@@H]1C[C@H](CCNC(=O)N(C)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000444114004 1025656217 /nfs/dbraw/zinc/65/62/17/1025656217.db2.gz UUKFBFAHCWCDHE-SJORKVTESA-N 1 2 334.508 3.767 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179369593 1025674193 /nfs/dbraw/zinc/67/41/93/1025674193.db2.gz FBFIEDOZRPEBIL-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179369593 1025674202 /nfs/dbraw/zinc/67/42/02/1025674202.db2.gz FBFIEDOZRPEBIL-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056205 1025696587 /nfs/dbraw/zinc/69/65/87/1025696587.db2.gz FKEITTYRBUWLDV-ROUUACIJSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056205 1025696597 /nfs/dbraw/zinc/69/65/97/1025696597.db2.gz FKEITTYRBUWLDV-ROUUACIJSA-N 1 2 341.854 3.794 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000081316046 1025723818 /nfs/dbraw/zinc/72/38/18/1025723818.db2.gz OBUMENZZCFADFJ-SFHVURJKSA-N 1 2 344.418 3.615 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc([S@](C)=O)cc1 ZINC000342475644 1025758894 /nfs/dbraw/zinc/75/88/94/1025758894.db2.gz YCQJBJMRGCXHQM-SHACYNPGSA-N 1 2 340.448 3.930 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000521894989 1025766546 /nfs/dbraw/zinc/76/65/46/1025766546.db2.gz ZLNGCRYOKWXOMC-MZMPZRCHSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000521894989 1025766559 /nfs/dbraw/zinc/76/65/59/1025766559.db2.gz ZLNGCRYOKWXOMC-MZMPZRCHSA-N 1 2 339.863 3.507 20 0 EHADLO OCC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1ccccc1 ZINC000152366298 1025776091 /nfs/dbraw/zinc/77/60/91/1025776091.db2.gz BYOTZPVFZZWBIF-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1ccccc1 ZINC000152366298 1025776105 /nfs/dbraw/zinc/77/61/05/1025776105.db2.gz BYOTZPVFZZWBIF-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO COc1ccc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000342482708 1025790728 /nfs/dbraw/zinc/79/07/28/1025790728.db2.gz RGBMNZPZZVLBDI-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000521931015 1025795636 /nfs/dbraw/zinc/79/56/36/1025795636.db2.gz LWDUVXKQJAEJDX-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000521931015 1025795655 /nfs/dbraw/zinc/79/56/55/1025795655.db2.gz LWDUVXKQJAEJDX-UHFFFAOYSA-N 1 2 335.455 3.911 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1cc3ccc(F)cc3c(Cl)n1)C2 ZINC000896651600 1025806083 /nfs/dbraw/zinc/80/60/83/1025806083.db2.gz WBBYNBVXOOLXME-UHFFFAOYSA-N 1 2 330.794 3.806 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000443224548 1025826208 /nfs/dbraw/zinc/82/62/08/1025826208.db2.gz IPPYYVDVXKZXLS-UHFFFAOYSA-N 1 2 325.456 3.970 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1OCc1ccccc1C ZINC000443226528 1025827642 /nfs/dbraw/zinc/82/76/42/1025827642.db2.gz NLPUYELASAIFLJ-UHFFFAOYSA-N 1 2 335.407 3.536 20 0 EHADLO CC[N@H+](Cc1nc(Cc2cc(Cl)c(N)c(Cl)c2)no1)C1CC1 ZINC000896666226 1025837916 /nfs/dbraw/zinc/83/79/16/1025837916.db2.gz DWPCVXUJJNPPPQ-UHFFFAOYSA-N 1 2 341.242 3.534 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2cc(Cl)c(N)c(Cl)c2)no1)C1CC1 ZINC000896666226 1025837930 /nfs/dbraw/zinc/83/79/30/1025837930.db2.gz DWPCVXUJJNPPPQ-UHFFFAOYSA-N 1 2 341.242 3.534 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000329437343 1025844785 /nfs/dbraw/zinc/84/47/85/1025844785.db2.gz MEKODBZMMCEUKY-INIZCTEOSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000329437343 1025844805 /nfs/dbraw/zinc/84/48/05/1025844805.db2.gz MEKODBZMMCEUKY-INIZCTEOSA-N 1 2 327.428 3.819 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000684821349 1025858971 /nfs/dbraw/zinc/85/89/71/1025858971.db2.gz RCODOSUWJCTGSK-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccccc2NC2CCCCC2)[nH+]c1C ZINC000896910616 1025939625 /nfs/dbraw/zinc/93/96/25/1025939625.db2.gz RAQVSGLHGDFDJR-UHFFFAOYSA-N 1 2 326.444 3.701 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000474956594 1025951005 /nfs/dbraw/zinc/95/10/05/1025951005.db2.gz VMBJRAKHHMDQLZ-XLIONFOSSA-N 1 2 341.451 3.828 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000474956594 1025951014 /nfs/dbraw/zinc/95/10/14/1025951014.db2.gz VMBJRAKHHMDQLZ-XLIONFOSSA-N 1 2 341.451 3.828 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012559 1026022415 /nfs/dbraw/zinc/02/24/15/1026022415.db2.gz GITWRSQIDRWHPZ-UKTHLTGXSA-N 1 2 339.464 3.604 20 0 EHADLO COc1cccc(C[C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000443452461 1026056633 /nfs/dbraw/zinc/05/66/33/1026056633.db2.gz YYDANASVCCAMTQ-HNNXBMFYSA-N 1 2 326.444 3.519 20 0 EHADLO COc1cccc(C[C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000443452461 1026056635 /nfs/dbraw/zinc/05/66/35/1026056635.db2.gz YYDANASVCCAMTQ-HNNXBMFYSA-N 1 2 326.444 3.519 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)c3c[nH]c4ccccc43)CC2)s1 ZINC000277570138 1026059654 /nfs/dbraw/zinc/05/96/54/1026059654.db2.gz XXJBEJVWLDHSPL-UHFFFAOYSA-N 1 2 339.464 3.995 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCCC1 ZINC000443455678 1026062026 /nfs/dbraw/zinc/06/20/26/1026062026.db2.gz SJOMSSGHCGLMCL-IBGZPJMESA-N 1 2 346.833 3.781 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179031870 1026074190 /nfs/dbraw/zinc/07/41/90/1026074190.db2.gz AQXSUFXHIFWZDM-JLHYYAGUSA-N 1 2 325.799 3.707 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2cccnc2)nnn1-c1ccc(F)cc1 ZINC000158526790 1026086191 /nfs/dbraw/zinc/08/61/91/1026086191.db2.gz QKOGEEWHVJAXAU-OLZOCXBDSA-N 1 2 325.391 3.522 20 0 EHADLO Cc1ccccc1CCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000103381533 1026094415 /nfs/dbraw/zinc/09/44/15/1026094415.db2.gz LKSLKOFKEGRUSJ-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3C)cn2c1 ZINC000042470206 1026096218 /nfs/dbraw/zinc/09/62/18/1026096218.db2.gz NHENKMZAMLJLIE-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2nc3ccccc3n3cncc23)[nH+]c1C ZINC000895195901 1026096279 /nfs/dbraw/zinc/09/62/79/1026096279.db2.gz FZLLFLPAEOPRBR-MRXNPFEDSA-N 1 2 332.411 3.564 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)on2)cc1 ZINC000103410972 1026097770 /nfs/dbraw/zinc/09/77/70/1026097770.db2.gz NPNYYGGGAPEKIQ-UHFFFAOYSA-N 1 2 347.418 3.742 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N3CC[N@H+](C)Cc4ccccc43)on2)cc1 ZINC000103410972 1026097794 /nfs/dbraw/zinc/09/77/94/1026097794.db2.gz NPNYYGGGAPEKIQ-UHFFFAOYSA-N 1 2 347.418 3.742 20 0 EHADLO FC[C@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCCO1 ZINC000413480916 1026132169 /nfs/dbraw/zinc/13/21/69/1026132169.db2.gz LOWUVLMNBYKLCD-ZDUSSCGKSA-N 1 2 328.309 3.818 20 0 EHADLO COc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000563345261 1026167812 /nfs/dbraw/zinc/16/78/12/1026167812.db2.gz PGMXVMZDPSVKAB-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000530666100 1026183196 /nfs/dbraw/zinc/18/31/96/1026183196.db2.gz VBNKKGWEEHPFQE-HXUWFJFHSA-N 1 2 340.467 3.728 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000530666100 1026183205 /nfs/dbraw/zinc/18/32/05/1026183205.db2.gz VBNKKGWEEHPFQE-HXUWFJFHSA-N 1 2 340.467 3.728 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cc(C2CC2)[nH]n1 ZINC000684862383 1026198169 /nfs/dbraw/zinc/19/81/69/1026198169.db2.gz BTHDMXSODGSSTF-UHFFFAOYSA-N 1 2 347.422 3.739 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475128804 1026213962 /nfs/dbraw/zinc/21/39/62/1026213962.db2.gz JXVKNCLFNAESAO-OIISXLGYSA-N 1 2 328.460 3.594 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)o2)cc1 ZINC000475128477 1026224767 /nfs/dbraw/zinc/22/47/67/1026224767.db2.gz ICGDLKMKLUMWDF-RBUKOAKNSA-N 1 2 339.435 3.825 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)o2)cc1 ZINC000475128477 1026224782 /nfs/dbraw/zinc/22/47/82/1026224782.db2.gz ICGDLKMKLUMWDF-RBUKOAKNSA-N 1 2 339.435 3.825 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)sc1Cc1ccc(F)cc1 ZINC000600960389 1026231073 /nfs/dbraw/zinc/23/10/73/1026231073.db2.gz IAXVLJBEEQUFAI-HNNXBMFYSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)sc1Cc1ccc(F)cc1 ZINC000600960389 1026231087 /nfs/dbraw/zinc/23/10/87/1026231087.db2.gz IAXVLJBEEQUFAI-HNNXBMFYSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1cc(C)cc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000043274750 1026240135 /nfs/dbraw/zinc/24/01/35/1026240135.db2.gz AJJAPSBAHZNMJD-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122120907 1026246287 /nfs/dbraw/zinc/24/62/87/1026246287.db2.gz MEOFLAJTLDCECQ-CQSZACIVSA-N 1 2 325.522 3.655 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122120907 1026246295 /nfs/dbraw/zinc/24/62/95/1026246295.db2.gz MEOFLAJTLDCECQ-CQSZACIVSA-N 1 2 325.522 3.655 20 0 EHADLO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657428999 1026249530 /nfs/dbraw/zinc/24/95/30/1026249530.db2.gz PPXGGGQHRKWPFJ-MRXNPFEDSA-N 1 2 332.835 3.660 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000530778067 1026286816 /nfs/dbraw/zinc/28/68/16/1026286816.db2.gz HDIZSRCLPHKFTE-STQMWFEESA-N 1 2 349.525 3.559 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858959 1026330630 /nfs/dbraw/zinc/33/06/30/1026330630.db2.gz SKODFBSAFNXFCS-SCLBCKFNSA-N 1 2 335.407 3.954 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858959 1026330643 /nfs/dbraw/zinc/33/06/43/1026330643.db2.gz SKODFBSAFNXFCS-SCLBCKFNSA-N 1 2 335.407 3.954 20 0 EHADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000192751909 1026337085 /nfs/dbraw/zinc/33/70/85/1026337085.db2.gz GTVAQDIRKATTSM-AWEZNQCLSA-N 1 2 325.412 3.626 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)o1 ZINC000451922331 1026390662 /nfs/dbraw/zinc/39/06/62/1026390662.db2.gz KWGYXRMKDPXOJF-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO CCN(CCc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342600899 1026424844 /nfs/dbraw/zinc/42/48/44/1026424844.db2.gz TXDBBFZMDZZQDX-UHFFFAOYSA-N 1 2 325.437 3.639 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1cccc(C)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342608330 1026453732 /nfs/dbraw/zinc/45/37/32/1026453732.db2.gz SGWFZOFXPVBJDP-OAHLLOKOSA-N 1 2 336.439 3.840 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1cccc(C)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342608330 1026453736 /nfs/dbraw/zinc/45/37/36/1026453736.db2.gz SGWFZOFXPVBJDP-OAHLLOKOSA-N 1 2 336.439 3.840 20 0 EHADLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C(C)(C)C)s2)c[nH+]1 ZINC000452042078 1026453919 /nfs/dbraw/zinc/45/39/19/1026453919.db2.gz NJLRSJYLVAYGFK-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO CCC1(c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)CCCC1 ZINC000582517384 1026479422 /nfs/dbraw/zinc/47/94/22/1026479422.db2.gz VAAFMLLFCKVDHU-UHFFFAOYSA-N 1 2 341.455 3.791 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)c1 ZINC000475348386 1026499002 /nfs/dbraw/zinc/49/90/02/1026499002.db2.gz TWRVQFSVDVYEJH-LPHOPBHVSA-N 1 2 344.499 3.727 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167895267 1026507137 /nfs/dbraw/zinc/50/71/37/1026507137.db2.gz NSDLLYOBAVFRFA-SUMWQHHRSA-N 1 2 341.459 3.546 20 0 EHADLO COCCC(C)(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277682013 1026537336 /nfs/dbraw/zinc/53/73/36/1026537336.db2.gz LNKUCVJLMRSSKD-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccc(-c3cccs3)[nH]c2=O)no1)C1CC1 ZINC000897239249 1026552422 /nfs/dbraw/zinc/55/24/22/1026552422.db2.gz WTEUWEVFGSIGMV-UHFFFAOYSA-N 1 2 342.424 3.550 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccc(-c3cccs3)[nH]c2=O)no1)C1CC1 ZINC000897239249 1026552431 /nfs/dbraw/zinc/55/24/31/1026552431.db2.gz WTEUWEVFGSIGMV-UHFFFAOYSA-N 1 2 342.424 3.550 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000475411309 1026576618 /nfs/dbraw/zinc/57/66/18/1026576618.db2.gz HAHSUDAUZSUJKR-CRAIPNDOSA-N 1 2 330.472 3.845 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000475413697 1026588124 /nfs/dbraw/zinc/58/81/24/1026588124.db2.gz XODMQNIVBOGVPH-XJKSGUPXSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000475413697 1026588126 /nfs/dbraw/zinc/58/81/26/1026588126.db2.gz XODMQNIVBOGVPH-XJKSGUPXSA-N 1 2 336.501 3.822 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)s1 ZINC000897269286 1026620521 /nfs/dbraw/zinc/62/05/21/1026620521.db2.gz AZJGXHPNQLADGH-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)s1 ZINC000897269286 1026620527 /nfs/dbraw/zinc/62/05/27/1026620527.db2.gz AZJGXHPNQLADGH-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[nH]1 ZINC000657478363 1026660874 /nfs/dbraw/zinc/66/08/74/1026660874.db2.gz HWPHGZXPIXIBDN-UHFFFAOYSA-N 1 2 341.390 3.544 20 0 EHADLO O=C(CCc1ccc(Br)cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452330839 1026663204 /nfs/dbraw/zinc/66/32/04/1026663204.db2.gz BKYYEPGSASLCGS-UHFFFAOYSA-N 1 2 348.244 3.553 20 0 EHADLO COc1cc(CNc2cc(C)[nH+]c(C(C)C)n2)cc(OC)c1OC ZINC000301076736 1026676645 /nfs/dbraw/zinc/67/66/45/1026676645.db2.gz PSLYPTUYHWDXLR-UHFFFAOYSA-N 1 2 331.416 3.546 20 0 EHADLO c1ccc(NCCCCNc2ncnc3sc4c(c32)CCC4)[nH+]c1 ZINC000301138991 1026698944 /nfs/dbraw/zinc/69/89/44/1026698944.db2.gz BOILXNHCIRTHBD-UHFFFAOYSA-N 1 2 339.468 3.879 20 0 EHADLO Cc1nc2sc3c(c2c(NC[C@H](C)Cn2cc[nH+]c2)n1)CCCC3 ZINC000301149910 1026702361 /nfs/dbraw/zinc/70/23/61/1026702361.db2.gz JFQWUHVSUZJDIC-LBPRGKRZSA-N 1 2 341.484 3.823 20 0 EHADLO Brc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301202046 1026721729 /nfs/dbraw/zinc/72/17/29/1026721729.db2.gz QMTHVZYILNAMSK-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO Brc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301202046 1026721735 /nfs/dbraw/zinc/72/17/35/1026721735.db2.gz QMTHVZYILNAMSK-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(C)c1 ZINC001271490054 1026724738 /nfs/dbraw/zinc/72/47/38/1026724738.db2.gz NLXHICSZCXDYKH-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(C)c1 ZINC001271490054 1026724752 /nfs/dbraw/zinc/72/47/52/1026724752.db2.gz NLXHICSZCXDYKH-UHFFFAOYSA-N 1 2 340.389 3.546 20 0 EHADLO CCC[C@@H]([NH2+]Cc1oc(C(C)C)nc1C)c1nnc2ccccn21 ZINC000428343584 1026737982 /nfs/dbraw/zinc/73/79/82/1026737982.db2.gz CLPPTFFSGQWSHK-CQSZACIVSA-N 1 2 327.432 3.780 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342695203 1026738056 /nfs/dbraw/zinc/73/80/56/1026738056.db2.gz PCRZERKEXKETGD-IBGZPJMESA-N 1 2 340.854 3.785 20 0 EHADLO COc1ncc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1Cl ZINC000342694948 1026738313 /nfs/dbraw/zinc/73/83/13/1026738313.db2.gz GLHFHFMPBWHTMB-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301257342 1026741812 /nfs/dbraw/zinc/74/18/12/1026741812.db2.gz RHKYTAXGRVZRFU-UHFFFAOYSA-N 1 2 326.444 3.502 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301257342 1026741825 /nfs/dbraw/zinc/74/18/25/1026741825.db2.gz RHKYTAXGRVZRFU-UHFFFAOYSA-N 1 2 326.444 3.502 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1cc2ccccc2o1 ZINC000301362038 1026776955 /nfs/dbraw/zinc/77/69/55/1026776955.db2.gz QLYATBKLDGTTQA-ZDUSSCGKSA-N 1 2 340.452 3.949 20 0 EHADLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1cc2ccccc2o1 ZINC000301362038 1026776962 /nfs/dbraw/zinc/77/69/62/1026776962.db2.gz QLYATBKLDGTTQA-ZDUSSCGKSA-N 1 2 340.452 3.949 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000531349953 1026835361 /nfs/dbraw/zinc/83/53/61/1026835361.db2.gz FVSONZKGYYDCAL-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000531349949 1026836167 /nfs/dbraw/zinc/83/61/67/1026836167.db2.gz FVSONZKGYYDCAL-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1nnc2n1CCCCC2 ZINC000684954560 1026841116 /nfs/dbraw/zinc/84/11/16/1026841116.db2.gz AGBDTLBQSLXEAR-CVEARBPZSA-N 1 2 325.460 3.518 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000342722913 1026854796 /nfs/dbraw/zinc/85/47/96/1026854796.db2.gz CYUDALANDHEZJD-KXBFYZLASA-N 1 2 338.455 3.506 20 0 EHADLO Cc1nc(NCc2cnn(Cc3ccccc3)c2)c2c([nH+]1)CCCC2 ZINC000301587120 1026863476 /nfs/dbraw/zinc/86/34/76/1026863476.db2.gz WDLCKWPAOAAABY-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO Cc1nc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000301648422 1026886620 /nfs/dbraw/zinc/88/66/20/1026886620.db2.gz FHZYZYRNQQXLTD-GOEBONIOSA-N 1 2 348.491 3.531 20 0 EHADLO Cc1nc(N2CCc3c(Br)cccc3C2)c(C)c(C)[nH+]1 ZINC000301671436 1026895132 /nfs/dbraw/zinc/89/51/32/1026895132.db2.gz FNLBZZPITRHZGB-UHFFFAOYSA-N 1 2 332.245 3.727 20 0 EHADLO COc1cccc(C[C@@H](C)CC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC001125614302 1026900240 /nfs/dbraw/zinc/90/02/40/1026900240.db2.gz SLBGHIJPMDPTME-CQSZACIVSA-N 1 2 337.423 3.859 20 0 EHADLO Cc1nc(N(C)Cc2csc(Br)c2)c(C)c(C)[nH+]1 ZINC000301692429 1026904386 /nfs/dbraw/zinc/90/43/86/1026904386.db2.gz OGUHWNBWYPIVFT-UHFFFAOYSA-N 1 2 326.263 3.862 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000452663913 1026907905 /nfs/dbraw/zinc/90/79/05/1026907905.db2.gz CYQCLSWZIYFBNQ-GOSISDBHSA-N 1 2 327.472 3.805 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCCCNC(=O)c1cccs1 ZINC000301721835 1026915421 /nfs/dbraw/zinc/91/54/21/1026915421.db2.gz NEHRFGNINCQZFT-UHFFFAOYSA-N 1 2 325.437 3.837 20 0 EHADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531437251 1026917792 /nfs/dbraw/zinc/91/77/92/1026917792.db2.gz WAUACHGBUIGKSY-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531437251 1026917797 /nfs/dbraw/zinc/91/77/97/1026917797.db2.gz WAUACHGBUIGKSY-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO C[C@H](O)[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301800097 1026942486 /nfs/dbraw/zinc/94/24/86/1026942486.db2.gz VTKXVDOABMHYQG-RYUDHWBXSA-N 1 2 335.245 3.595 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(-n2cccn2)cc1 ZINC000301825509 1026954576 /nfs/dbraw/zinc/95/45/76/1026954576.db2.gz MGWWEMULJCPORY-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301825509 1026954584 /nfs/dbraw/zinc/95/45/84/1026954584.db2.gz MGWWEMULJCPORY-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO CC(C)c1cc(NCC2(C(=O)N(C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC000301846028 1026961816 /nfs/dbraw/zinc/96/18/16/1026961816.db2.gz ALCLSSWTBMLMCG-UHFFFAOYSA-N 1 2 332.492 3.784 20 0 EHADLO C[C@H](C[C@H](O)c1ccccc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301851377 1026963599 /nfs/dbraw/zinc/96/35/99/1026963599.db2.gz ANBVVIQVQMNETI-CJNGLKHVSA-N 1 2 339.443 3.505 20 0 EHADLO Nc1nc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)[nH+]c2ccccc12 ZINC000301873821 1026974399 /nfs/dbraw/zinc/97/43/99/1026974399.db2.gz JNBRJWKZLFUGFC-UHFFFAOYSA-N 1 2 349.825 3.909 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153058543 1026980564 /nfs/dbraw/zinc/98/05/64/1026980564.db2.gz SLEXYFUVASYICL-MOPGFXCFSA-N 1 2 339.483 3.624 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)N(C)c1ccccc1 ZINC000301902377 1026987176 /nfs/dbraw/zinc/98/71/76/1026987176.db2.gz WIPHJYKZTBRLDN-AWEZNQCLSA-N 1 2 338.459 3.518 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000548754343 1027001865 /nfs/dbraw/zinc/00/18/65/1027001865.db2.gz XVZDJQAXGUXRBH-UMVBOHGHSA-N 1 2 343.452 3.502 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1c(C)noc1C ZINC000301942176 1027002300 /nfs/dbraw/zinc/00/23/00/1027002300.db2.gz VJXYQERPIXQRIV-CYBMUJFWSA-N 1 2 328.420 3.749 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000133518994 1027026790 /nfs/dbraw/zinc/02/67/90/1027026790.db2.gz LEIOVKCCPOGNLW-LJQANCHMSA-N 1 2 340.471 3.943 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccccc2CC1 ZINC000582721752 1027038527 /nfs/dbraw/zinc/03/85/27/1027038527.db2.gz HTGYRGTXVMKDEH-HXUWFJFHSA-N 1 2 345.446 3.559 20 0 EHADLO COC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccc(F)c(F)c1 ZINC000302078040 1027046668 /nfs/dbraw/zinc/04/66/68/1027046668.db2.gz HZISALBDQBGGJU-KRWDZBQOSA-N 1 2 333.382 3.742 20 0 EHADLO OCC[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000665698742 1027075673 /nfs/dbraw/zinc/07/56/73/1027075673.db2.gz UPWRWSPJXVHBNM-LBPRGKRZSA-N 1 2 335.245 3.596 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c(Cl)c1 ZINC000125622705 1027101822 /nfs/dbraw/zinc/10/18/22/1027101822.db2.gz OXAJNIDKZFXZKP-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c(Cl)c1 ZINC000125622705 1027101833 /nfs/dbraw/zinc/10/18/33/1027101833.db2.gz OXAJNIDKZFXZKP-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO CS[C@@H]1CC[C@@H](Nc2cc(N[C@H]3CC[C@@H](SC)C3)nc[nH+]2)C1 ZINC000302258048 1027112717 /nfs/dbraw/zinc/11/27/17/1027112717.db2.gz BHXKUEKAXYBMQU-XJFOESAGSA-N 1 2 338.546 3.869 20 0 EHADLO CS[C@@H]1CC[C@@H](Nc2cc(N[C@H]3CC[C@@H](SC)C3)[nH+]cn2)C1 ZINC000302258048 1027112725 /nfs/dbraw/zinc/11/27/25/1027112725.db2.gz BHXKUEKAXYBMQU-XJFOESAGSA-N 1 2 338.546 3.869 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccc(F)cc3F)C2)c2c([nH+]1)CCCC2 ZINC000302384980 1027135992 /nfs/dbraw/zinc/13/59/92/1027135992.db2.gz HHSWCWNMDLWUCA-GOSISDBHSA-N 1 2 345.393 3.520 20 0 EHADLO Cc1nc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c2c([nH+]1)CCCC2 ZINC000272834689 1027138159 /nfs/dbraw/zinc/13/81/59/1027138159.db2.gz HLEXXBDHJMRUHM-OZAJXLCCSA-N 1 2 343.496 3.599 20 0 EHADLO O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551893 1027168543 /nfs/dbraw/zinc/16/85/43/1027168543.db2.gz DXTHDLUIODLRPZ-LBPRGKRZSA-N 1 2 340.814 3.631 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000075594559 1027178766 /nfs/dbraw/zinc/17/87/66/1027178766.db2.gz QHVOSLDYKUUKTO-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO COc1cccc2c(N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)cc[nH+]c12 ZINC000302567003 1027197157 /nfs/dbraw/zinc/19/71/57/1027197157.db2.gz WUOHYWOLWMFGII-GJZGRUSLSA-N 1 2 341.455 3.739 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000076051419 1027231998 /nfs/dbraw/zinc/23/19/98/1027231998.db2.gz HFGVQAYUYVVTSJ-OCCSQVGLSA-N 1 2 332.835 3.713 20 0 EHADLO O=C1CCN(C[NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000273045160 1027242190 /nfs/dbraw/zinc/24/21/90/1027242190.db2.gz GXRJYPGCJHAEFX-QGZVFWFLSA-N 1 2 334.872 3.703 20 0 EHADLO Cc1cc(F)ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000076028750 1027264322 /nfs/dbraw/zinc/26/43/22/1027264322.db2.gz ZBQAYXKNTCXQGO-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)ncn1 ZINC000428350305 1027265031 /nfs/dbraw/zinc/26/50/31/1027265031.db2.gz XPXQGXKFHAHAAM-GFCCVEGCSA-N 1 2 338.274 3.946 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)ncn1 ZINC000428350305 1027265045 /nfs/dbraw/zinc/26/50/45/1027265045.db2.gz XPXQGXKFHAHAAM-GFCCVEGCSA-N 1 2 338.274 3.946 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc2ccccc21 ZINC000302798443 1027298070 /nfs/dbraw/zinc/29/80/70/1027298070.db2.gz RLMVZJCKFACXTA-HNNXBMFYSA-N 1 2 334.423 3.640 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc2ccccc21 ZINC000302798443 1027298084 /nfs/dbraw/zinc/29/80/84/1027298084.db2.gz RLMVZJCKFACXTA-HNNXBMFYSA-N 1 2 334.423 3.640 20 0 EHADLO Brc1cccc2c(NCc3nnc(C4CC4)o3)cc[nH+]c12 ZINC000302862315 1027332392 /nfs/dbraw/zinc/33/23/92/1027332392.db2.gz RAZVIMSPQKDNLH-UHFFFAOYSA-N 1 2 345.200 3.870 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c2ncnn21 ZINC000657570361 1027335839 /nfs/dbraw/zinc/33/58/39/1027335839.db2.gz RVAMWSHDFFWPPD-IAQYHMDHSA-N 1 2 328.803 3.987 20 0 EHADLO CCCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127645023 1027336121 /nfs/dbraw/zinc/33/61/21/1027336121.db2.gz VXOGDNGNIBCLIZ-QAPCUYQASA-N 1 2 326.444 3.951 20 0 EHADLO c1ccc2c(c1)cccc2CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302870789 1027336254 /nfs/dbraw/zinc/33/62/54/1027336254.db2.gz BJMVNHCPDNQGBR-UHFFFAOYSA-N 1 2 336.464 3.795 20 0 EHADLO c1ccc2c(c1)cccc2CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302870789 1027336282 /nfs/dbraw/zinc/33/62/82/1027336282.db2.gz BJMVNHCPDNQGBR-UHFFFAOYSA-N 1 2 336.464 3.795 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]Cc2cccnc2N2CCCC2)cs1 ZINC000657569912 1027338643 /nfs/dbraw/zinc/33/86/43/1027338643.db2.gz OTHONEJZINWZCS-UHFFFAOYSA-N 1 2 330.501 3.726 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000582234704 1027371192 /nfs/dbraw/zinc/37/11/92/1027371192.db2.gz JHXUCVODWPLWQB-IEBWSBKVSA-N 1 2 341.430 3.973 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045954175 1027373599 /nfs/dbraw/zinc/37/35/99/1027373599.db2.gz KFGIFISZBLCCIU-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000045955112 1027373800 /nfs/dbraw/zinc/37/38/00/1027373800.db2.gz OAGFSRPCDXOZQT-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000414444116 1027376028 /nfs/dbraw/zinc/37/60/28/1027376028.db2.gz UBUDZZAIHIRHDP-LJQANCHMSA-N 1 2 339.418 3.770 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000414444116 1027376040 /nfs/dbraw/zinc/37/60/40/1027376040.db2.gz UBUDZZAIHIRHDP-LJQANCHMSA-N 1 2 339.418 3.770 20 0 EHADLO COc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c(OC(C)C)c1 ZINC000475491008 1027413558 /nfs/dbraw/zinc/41/35/58/1027413558.db2.gz GEDMMXQXRFIWBG-UHFFFAOYSA-N 1 2 339.395 3.691 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077416423 1027440311 /nfs/dbraw/zinc/44/03/11/1027440311.db2.gz PZEZZPRBHQLHMK-SJLPKXTDSA-N 1 2 344.503 3.709 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000046456422 1027445179 /nfs/dbraw/zinc/44/51/79/1027445179.db2.gz CGZUVRJMEXWLQO-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO COCCC1(c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCC1 ZINC000420512617 1027583085 /nfs/dbraw/zinc/58/30/85/1027583085.db2.gz FVWOJCGKDAYPPP-KRWDZBQOSA-N 1 2 341.455 3.865 20 0 EHADLO COCCC1(c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)CCC1 ZINC000420512617 1027583093 /nfs/dbraw/zinc/58/30/93/1027583093.db2.gz FVWOJCGKDAYPPP-KRWDZBQOSA-N 1 2 341.455 3.865 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000097493134 1027584489 /nfs/dbraw/zinc/58/44/89/1027584489.db2.gz XFRIGIVOFSYCCG-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000097493134 1027584494 /nfs/dbraw/zinc/58/44/94/1027584494.db2.gz XFRIGIVOFSYCCG-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO Cc1cc(C)cc(C2(c3noc([C@@H]4C[N@H+](C(C)C)CCO4)n3)CC2)c1 ZINC000420500616 1027603109 /nfs/dbraw/zinc/60/31/09/1027603109.db2.gz LZDIBKVOLBTVFY-KRWDZBQOSA-N 1 2 341.455 3.548 20 0 EHADLO Cc1cc(C)cc(C2(c3noc([C@@H]4C[N@@H+](C(C)C)CCO4)n3)CC2)c1 ZINC000420500616 1027603118 /nfs/dbraw/zinc/60/31/18/1027603118.db2.gz LZDIBKVOLBTVFY-KRWDZBQOSA-N 1 2 341.455 3.548 20 0 EHADLO CC[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000666684930 1027627832 /nfs/dbraw/zinc/62/78/32/1027627832.db2.gz XCLSZVJTXURINM-FHWLQOOXSA-N 1 2 338.455 3.600 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2CN1Cc1[nH+]cc(C)n1C ZINC000342847655 1027631513 /nfs/dbraw/zinc/63/15/13/1027631513.db2.gz AWPGEZIYTOQQBC-AWEZNQCLSA-N 1 2 348.288 3.828 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1F ZINC000130190328 1027642359 /nfs/dbraw/zinc/64/23/59/1027642359.db2.gz JCNWTRYBIVMBDG-GJZGRUSLSA-N 1 2 346.471 3.896 20 0 EHADLO Cc1c[nH+]c(CN(C)Cc2ccc(Br)cc2Cl)n1C ZINC000342854529 1027663540 /nfs/dbraw/zinc/66/35/40/1027663540.db2.gz GPKFNTFRGHEFSP-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(CO)c1 ZINC000487500847 1027668122 /nfs/dbraw/zinc/66/81/22/1027668122.db2.gz JXYXVVUIKXQVBX-UHFFFAOYSA-N 1 2 347.418 3.631 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130582020 1027681746 /nfs/dbraw/zinc/68/17/46/1027681746.db2.gz ORRCBJGNKYFKNO-GOSISDBHSA-N 1 2 331.419 3.675 20 0 EHADLO CC1(C)CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000503235696 1027686589 /nfs/dbraw/zinc/68/65/89/1027686589.db2.gz BIHKZMKBMVTULP-GOSISDBHSA-N 1 2 344.499 3.643 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)n1 ZINC000503269721 1027696492 /nfs/dbraw/zinc/69/64/92/1027696492.db2.gz HWHFTXBKESTQGU-UHFFFAOYSA-N 1 2 344.846 3.850 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000130930212 1027718326 /nfs/dbraw/zinc/71/83/26/1027718326.db2.gz UHTUHVFQFXSPIP-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000130930212 1027718343 /nfs/dbraw/zinc/71/83/43/1027718343.db2.gz UHTUHVFQFXSPIP-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000130952896 1027720587 /nfs/dbraw/zinc/72/05/87/1027720587.db2.gz SQQDHRKVGIJDSD-GOSISDBHSA-N 1 2 344.434 3.643 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000131275212 1027757176 /nfs/dbraw/zinc/75/71/76/1027757176.db2.gz FRPAFARTUMZGDR-GFCCVEGCSA-N 1 2 333.819 3.526 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc(C)[nH+]1 ZINC000420825620 1027759793 /nfs/dbraw/zinc/75/97/93/1027759793.db2.gz SHUVZRRBYVHCPH-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000582805153 1027771876 /nfs/dbraw/zinc/77/18/76/1027771876.db2.gz HEMHJZOMNFEZIK-BZSNNMDCSA-N 1 2 338.455 3.600 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2c(Cl)cccc2C1 ZINC000153370724 1027784052 /nfs/dbraw/zinc/78/40/52/1027784052.db2.gz RJFHVIHCNIIOKI-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccccc2N(C)C(C)C)cc(C)[nH+]1 ZINC000420842515 1027786345 /nfs/dbraw/zinc/78/63/45/1027786345.db2.gz WBWSRFCOJFNSKZ-UHFFFAOYSA-N 1 2 340.471 3.542 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000342873532 1027791495 /nfs/dbraw/zinc/79/14/95/1027791495.db2.gz VUBGVUUIKNGARY-FQEVSTJZSA-N 1 2 348.402 3.537 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000503452825 1027801671 /nfs/dbraw/zinc/80/16/71/1027801671.db2.gz NCYWFZMJKMVGLC-ROUUACIJSA-N 1 2 344.503 3.696 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420856957 1027802042 /nfs/dbraw/zinc/80/20/42/1027802042.db2.gz YVBUWLLXODGHOG-SFHVURJKSA-N 1 2 339.439 3.754 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000131673841 1027807341 /nfs/dbraw/zinc/80/73/41/1027807341.db2.gz VKZJYONKVFVYFL-SFHVURJKSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000131673841 1027807358 /nfs/dbraw/zinc/80/73/58/1027807358.db2.gz VKZJYONKVFVYFL-SFHVURJKSA-N 1 2 327.815 3.790 20 0 EHADLO Cn1ncc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1C(F)(F)F ZINC000131814888 1027823405 /nfs/dbraw/zinc/82/34/05/1027823405.db2.gz NQWJZBQVXNOYHM-MRXNPFEDSA-N 1 2 346.356 3.713 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)n1 ZINC000459348884 1027825760 /nfs/dbraw/zinc/82/57/60/1027825760.db2.gz XGORGIOMFYMFPP-WMLDXEAASA-N 1 2 343.427 3.528 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)n1 ZINC000459348884 1027825779 /nfs/dbraw/zinc/82/57/79/1027825779.db2.gz XGORGIOMFYMFPP-WMLDXEAASA-N 1 2 343.427 3.528 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C3(c4ccc(C)cc4)CCOCC3)cc2[nH+]1 ZINC000347374020 1027842613 /nfs/dbraw/zinc/84/26/13/1027842613.db2.gz OHMMSYIGCCNPDK-UHFFFAOYSA-N 1 2 349.434 3.867 20 0 EHADLO CN(Cc1nc2ccccc2s1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000110117798 1027856135 /nfs/dbraw/zinc/85/61/35/1027856135.db2.gz YBXGPAFUMTWGSS-UHFFFAOYSA-N 1 2 339.468 3.713 20 0 EHADLO CN(Cc1nc2ccccc2s1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000110117798 1027856158 /nfs/dbraw/zinc/85/61/58/1027856158.db2.gz YBXGPAFUMTWGSS-UHFFFAOYSA-N 1 2 339.468 3.713 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922338 1027868800 /nfs/dbraw/zinc/86/88/00/1027868800.db2.gz FJJQUPYVCLDFEL-HIFRSBDPSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922338 1027868822 /nfs/dbraw/zinc/86/88/22/1027868822.db2.gz FJJQUPYVCLDFEL-HIFRSBDPSA-N 1 2 349.475 3.669 20 0 EHADLO CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536619151 1027911723 /nfs/dbraw/zinc/91/17/23/1027911723.db2.gz DSRWUXZSKFVFMQ-UHFFFAOYSA-N 1 2 329.419 3.746 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000132384697 1027914927 /nfs/dbraw/zinc/91/49/27/1027914927.db2.gz LKWRQROXOIYXQX-SFHVURJKSA-N 1 2 328.460 3.732 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000132384697 1027914955 /nfs/dbraw/zinc/91/49/55/1027914955.db2.gz LKWRQROXOIYXQX-SFHVURJKSA-N 1 2 328.460 3.732 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956037 1027921975 /nfs/dbraw/zinc/92/19/75/1027921975.db2.gz YSZJCYYWMGYELL-KBXCAEBGSA-N 1 2 347.842 3.646 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956037 1027921993 /nfs/dbraw/zinc/92/19/93/1027921993.db2.gz YSZJCYYWMGYELL-KBXCAEBGSA-N 1 2 347.842 3.646 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956704 1027924106 /nfs/dbraw/zinc/92/41/06/1027924106.db2.gz YWJTXPFCACVTNU-MNOVXSKESA-N 1 2 349.784 3.726 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956704 1027924121 /nfs/dbraw/zinc/92/41/21/1027924121.db2.gz YWJTXPFCACVTNU-MNOVXSKESA-N 1 2 349.784 3.726 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c(C)c[nH+]1 ZINC000536619876 1027953820 /nfs/dbraw/zinc/95/38/20/1027953820.db2.gz HQUDBZWVLCUJJS-INIZCTEOSA-N 1 2 343.402 3.683 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)CCc2cccc(Br)c2)n1 ZINC000420973520 1027957477 /nfs/dbraw/zinc/95/74/77/1027957477.db2.gz NLYMOJICSGJYEH-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)CCc2cccc(Br)c2)n1 ZINC000420973520 1027957481 /nfs/dbraw/zinc/95/74/81/1027957481.db2.gz NLYMOJICSGJYEH-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000418096679 1027964427 /nfs/dbraw/zinc/96/44/27/1027964427.db2.gz VSZKHYXUHVCITF-UHFFFAOYSA-N 1 2 327.268 3.647 20 0 EHADLO C[N@H+](Cc1ncc(Br)s1)C1CC(OC(C)(C)C)C1 ZINC000421003560 1027985537 /nfs/dbraw/zinc/98/55/37/1027985537.db2.gz HPJKZCIIYOXNJW-UHFFFAOYSA-N 1 2 333.295 3.684 20 0 EHADLO C[N@@H+](Cc1ncc(Br)s1)C1CC(OC(C)(C)C)C1 ZINC000421003560 1027985552 /nfs/dbraw/zinc/98/55/52/1027985552.db2.gz HPJKZCIIYOXNJW-UHFFFAOYSA-N 1 2 333.295 3.684 20 0 EHADLO Cc1nc(C)c(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000353113531 1027993068 /nfs/dbraw/zinc/99/30/68/1027993068.db2.gz SZVMZVFEUYWXIV-GOSISDBHSA-N 1 2 344.459 3.854 20 0 EHADLO Cc1nc(C)c(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000353113531 1027993079 /nfs/dbraw/zinc/99/30/79/1027993079.db2.gz SZVMZVFEUYWXIV-GOSISDBHSA-N 1 2 344.459 3.854 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(C)cc2Br)c1F ZINC000657674524 1028013486 /nfs/dbraw/zinc/01/34/86/1028013486.db2.gz QTEJJIARRAQRIM-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1cc[nH]c(=O)c1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444533506 1028015460 /nfs/dbraw/zinc/01/54/60/1028015460.db2.gz CMCKYTWHCKQXOJ-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO Cc1cnn(-c2ccc(C)cc2NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421057469 1028019027 /nfs/dbraw/zinc/01/90/27/1028019027.db2.gz AERFYRMVJVJCJS-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000455324035 1028041906 /nfs/dbraw/zinc/04/19/06/1028041906.db2.gz LGJHMHCYJSZPHZ-KRWDZBQOSA-N 1 2 334.423 3.918 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c1C ZINC000444592319 1028053044 /nfs/dbraw/zinc/05/30/44/1028053044.db2.gz ILXPWIHWMUSCRG-LAQFHYBYSA-N 1 2 333.476 3.673 20 0 EHADLO CCS[C@H](C)c1noc(C[NH+]2CCC(C3CCOCC3)CC2)n1 ZINC000153516275 1028064541 /nfs/dbraw/zinc/06/45/41/1028064541.db2.gz YYFXSPOCWQOICY-CYBMUJFWSA-N 1 2 339.505 3.522 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000342910861 1028068060 /nfs/dbraw/zinc/06/80/60/1028068060.db2.gz JFIBOWRNZIODHC-KRWDZBQOSA-N 1 2 346.496 3.513 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000342910861 1028068078 /nfs/dbraw/zinc/06/80/78/1028068078.db2.gz JFIBOWRNZIODHC-KRWDZBQOSA-N 1 2 346.496 3.513 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444618389 1028090971 /nfs/dbraw/zinc/09/09/71/1028090971.db2.gz HQZXLVWAEQZAGL-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455361901 1028096614 /nfs/dbraw/zinc/09/66/14/1028096614.db2.gz SZHIPNKQNPPKRU-ZIFCJYIRSA-N 1 2 340.471 3.587 20 0 EHADLO Cc1cc(CNC(=O)Nc2cnc(C(F)(F)F)cc2C)cc(C)[nH+]1 ZINC000421114917 1028099322 /nfs/dbraw/zinc/09/93/22/1028099322.db2.gz PKXXBTKAFXXHGY-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000428374692 1028126155 /nfs/dbraw/zinc/12/61/55/1028126155.db2.gz BMGDYMCCEUSDJL-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444690951 1028163149 /nfs/dbraw/zinc/16/31/49/1028163149.db2.gz WAYZNJUWNNNUBI-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444690951 1028163162 /nfs/dbraw/zinc/16/31/62/1028163162.db2.gz WAYZNJUWNNNUBI-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)C[C@H](C)C3)cn2c1 ZINC000502387293 1028164375 /nfs/dbraw/zinc/16/43/75/1028164375.db2.gz IQFWBXGBFPTOIO-HOCLYGCPSA-N 1 2 345.512 3.771 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c(-c2cccs2)n1 ZINC000342926215 1028173578 /nfs/dbraw/zinc/17/35/78/1028173578.db2.gz KRYVNEWTHVJRAE-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO Cn1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c(-c2cccs2)n1 ZINC000342926215 1028173586 /nfs/dbraw/zinc/17/35/86/1028173586.db2.gz KRYVNEWTHVJRAE-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000053398824 1028175449 /nfs/dbraw/zinc/17/54/49/1028175449.db2.gz LFXGUSZPGRKMTN-UHFFFAOYSA-N 1 2 342.226 3.750 20 0 EHADLO [NH3+][C@H](C(=O)Nc1cccc(COC2CCCCC2)c1)c1cscn1 ZINC000423087558 1028174971 /nfs/dbraw/zinc/17/49/71/1028174971.db2.gz PTGJYPHMAXVGTM-KRWDZBQOSA-N 1 2 345.468 3.631 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000053398824 1028175437 /nfs/dbraw/zinc/17/54/37/1028175437.db2.gz LFXGUSZPGRKMTN-UHFFFAOYSA-N 1 2 342.226 3.750 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700585 1028176092 /nfs/dbraw/zinc/17/60/92/1028176092.db2.gz GJHGQRSZMIZQOM-NSHDSACASA-N 1 2 329.350 3.544 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700585 1028176100 /nfs/dbraw/zinc/17/61/00/1028176100.db2.gz GJHGQRSZMIZQOM-NSHDSACASA-N 1 2 329.350 3.544 20 0 EHADLO COCCc1cc(O)ccc1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455467420 1028196953 /nfs/dbraw/zinc/19/69/53/1028196953.db2.gz AYEXJLNFIKTOGH-UHFFFAOYSA-N 1 2 329.400 3.545 20 0 EHADLO Cc1ccc(OCCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455479767 1028214021 /nfs/dbraw/zinc/21/40/21/1028214021.db2.gz NUMGBJVMENRSAT-UHFFFAOYSA-N 1 2 327.428 3.906 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(Cl)cc3Cl)[nH+]c12 ZINC000523377274 1028228697 /nfs/dbraw/zinc/22/86/97/1028228697.db2.gz OUGUYVBYJKZIEL-UHFFFAOYSA-N 1 2 348.233 3.808 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423158987 1028231710 /nfs/dbraw/zinc/23/17/10/1028231710.db2.gz OLVLFTHFRMTLPD-NHYWBVRUSA-N 1 2 335.498 3.521 20 0 EHADLO Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000523385364 1028260258 /nfs/dbraw/zinc/26/02/58/1028260258.db2.gz IGSGJVAHLZGKNC-INIZCTEOSA-N 1 2 340.471 3.739 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000523408643 1028276293 /nfs/dbraw/zinc/27/62/93/1028276293.db2.gz CESGLMZGHDSXBZ-MRXNPFEDSA-N 1 2 325.456 3.927 20 0 EHADLO CCCOc1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414512063 1028279653 /nfs/dbraw/zinc/27/96/53/1028279653.db2.gz YYQWOPVLHNWKFO-UHFFFAOYSA-N 1 2 325.334 3.574 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1nccn1C1CC1 ZINC000894257729 1028281585 /nfs/dbraw/zinc/28/15/85/1028281585.db2.gz BMDSXVOSATXWBF-AWEZNQCLSA-N 1 2 348.244 3.594 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344921 1028289967 /nfs/dbraw/zinc/28/99/67/1028289967.db2.gz QQBMSHAZWADBRP-SJCJKPOMSA-N 1 2 333.863 3.974 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nn(C)c(C)c2Cl)c1 ZINC000421344921 1028289996 /nfs/dbraw/zinc/28/99/96/1028289996.db2.gz QQBMSHAZWADBRP-SJCJKPOMSA-N 1 2 333.863 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccn(Cc3ccccc3)n2)c(C)[nH+]1 ZINC000455513577 1028291754 /nfs/dbraw/zinc/29/17/54/1028291754.db2.gz JCCXSNUUBWLFIM-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO [NH3+][C@H](C(=O)Nc1cccc(CSC2CCCC2)c1)c1cscn1 ZINC000423228585 1028293760 /nfs/dbraw/zinc/29/37/60/1028293760.db2.gz DFQMAVQZWSYPDX-INIZCTEOSA-N 1 2 347.509 3.957 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)COc3cccc(C)c3)ccc2[nH+]1 ZINC000523425403 1028294483 /nfs/dbraw/zinc/29/44/83/1028294483.db2.gz QEOQNKSMNHODCL-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCn3ccc4ccccc43)ccc2[nH+]1 ZINC000523423670 1028294657 /nfs/dbraw/zinc/29/46/57/1028294657.db2.gz DZHUGICBQCKWQI-UHFFFAOYSA-N 1 2 347.422 3.809 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423230120 1028295453 /nfs/dbraw/zinc/29/54/53/1028295453.db2.gz IRORIOKZWCVOIW-OAHLLOKOSA-N 1 2 335.498 3.732 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)nn1C ZINC000421333996 1028304339 /nfs/dbraw/zinc/30/43/39/1028304339.db2.gz OYNRHDBEHSAFAN-SECBINFHSA-N 1 2 329.778 3.834 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000195616858 1028305931 /nfs/dbraw/zinc/30/59/31/1028305931.db2.gz WRSMZOSYLFHGIO-UHFFFAOYSA-N 1 2 340.467 3.501 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000195616858 1028305945 /nfs/dbraw/zinc/30/59/45/1028305945.db2.gz WRSMZOSYLFHGIO-UHFFFAOYSA-N 1 2 340.467 3.501 20 0 EHADLO Cc1c(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)oc2ccc(F)cc12 ZINC000195672677 1028307405 /nfs/dbraw/zinc/30/74/05/1028307405.db2.gz XMGRJYLAVMAPFJ-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO CCC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455534537 1028312167 /nfs/dbraw/zinc/31/21/67/1028312167.db2.gz GYBGWSKBFDMYOM-RDJZCZTQSA-N 1 2 332.492 3.905 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000056444420 1028325822 /nfs/dbraw/zinc/32/58/22/1028325822.db2.gz KKMAOJLQJCXHKS-MRXNPFEDSA-N 1 2 338.455 3.551 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc2cccnc21 ZINC000056554491 1028329768 /nfs/dbraw/zinc/32/97/68/1028329768.db2.gz BAABVRGBUOBGJC-UHFFFAOYSA-N 1 2 343.390 3.742 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)nc2sccn21 ZINC000053272840 1028332974 /nfs/dbraw/zinc/33/29/74/1028332974.db2.gz XLPLJVSFELCKIM-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)nc2sccn21 ZINC000053272840 1028332994 /nfs/dbraw/zinc/33/29/94/1028332994.db2.gz XLPLJVSFELCKIM-OAHLLOKOSA-N 1 2 345.855 3.747 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC000421400333 1028345739 /nfs/dbraw/zinc/34/57/39/1028345739.db2.gz RXKVAPWIBNVTCD-QGZVFWFLSA-N 1 2 325.836 3.502 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@]23CCOC3)cc1OC ZINC000421400333 1028345745 /nfs/dbraw/zinc/34/57/45/1028345745.db2.gz RXKVAPWIBNVTCD-QGZVFWFLSA-N 1 2 325.836 3.502 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)c(C)c1OC ZINC000421357398 1028345987 /nfs/dbraw/zinc/34/59/87/1028345987.db2.gz NXYPABGRCBNLFN-LLVKDONJSA-N 1 2 337.851 3.558 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cscn1)CCO2 ZINC000067223610 1028359909 /nfs/dbraw/zinc/35/99/09/1028359909.db2.gz ITFWWEVNVOMBRC-GFCCVEGCSA-N 1 2 325.231 3.519 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000138459824 1028367868 /nfs/dbraw/zinc/36/78/68/1028367868.db2.gz DSGPYDDPXGFVDH-KRWDZBQOSA-N 1 2 337.423 3.712 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000138459824 1028367886 /nfs/dbraw/zinc/36/78/86/1028367886.db2.gz DSGPYDDPXGFVDH-KRWDZBQOSA-N 1 2 337.423 3.712 20 0 EHADLO C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069104234 1028421357 /nfs/dbraw/zinc/42/13/57/1028421357.db2.gz VFOZQJJANUKQDE-CYBMUJFWSA-N 1 2 342.374 3.507 20 0 EHADLO COc1ccc(CCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000061136806 1028427619 /nfs/dbraw/zinc/42/76/19/1028427619.db2.gz IMUGMENHTCXSCT-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(F)(c3ccccc3)CC2)c[nH+]1 ZINC000455556240 1028448915 /nfs/dbraw/zinc/44/89/15/1028448915.db2.gz GLNPHVNQLXZBET-UHFFFAOYSA-N 1 2 341.430 3.869 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000455557434 1028451148 /nfs/dbraw/zinc/45/11/48/1028451148.db2.gz LQLRUTSXVFVBAK-ZDUSSCGKSA-N 1 2 332.473 3.674 20 0 EHADLO Cc1cnc(C2CCN(C(=O)NCc3c[nH+]c(C)cc3C)CC2)s1 ZINC000455555384 1028468732 /nfs/dbraw/zinc/46/87/32/1028468732.db2.gz FSLGKOMPARQJPH-UHFFFAOYSA-N 1 2 344.484 3.553 20 0 EHADLO C[N@H+](Cc1cccs1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342974471 1028470213 /nfs/dbraw/zinc/47/02/13/1028470213.db2.gz FQJCVAIOZLNFIY-SFHVURJKSA-N 1 2 328.481 3.934 20 0 EHADLO C[N@@H+](Cc1cccs1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342974471 1028470221 /nfs/dbraw/zinc/47/02/21/1028470221.db2.gz FQJCVAIOZLNFIY-SFHVURJKSA-N 1 2 328.481 3.934 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475619660 1028476300 /nfs/dbraw/zinc/47/63/00/1028476300.db2.gz ATAUUZXTBBEVOU-HNNXBMFYSA-N 1 2 326.223 3.825 20 0 EHADLO Cc1nc(Nc2ccn(C(C)C)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001203157986 1028477445 /nfs/dbraw/zinc/47/74/45/1028477445.db2.gz CEDCLZMHBSOLSV-ZIAGYGMSSA-N 1 2 329.448 3.525 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccn(C(C)C)c2)[nH+]1 ZINC001203157986 1028477450 /nfs/dbraw/zinc/47/74/50/1028477450.db2.gz CEDCLZMHBSOLSV-ZIAGYGMSSA-N 1 2 329.448 3.525 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2c[nH]c3cccc(C)c23)c[nH+]1 ZINC000455567119 1028516044 /nfs/dbraw/zinc/51/60/44/1028516044.db2.gz YPQXIKBTIMNSEC-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2ccccc2Cl)no1)c1ccccc1 ZINC000504242116 1028522026 /nfs/dbraw/zinc/52/20/26/1028522026.db2.gz XWRQIGRVZJEBRM-KRWDZBQOSA-N 1 2 327.815 3.965 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCSC3(CCCCC3)C2)c[nH+]1 ZINC000455567876 1028531072 /nfs/dbraw/zinc/53/10/72/1028531072.db2.gz ZYOXTUDWBZTEPI-UHFFFAOYSA-N 1 2 333.501 3.660 20 0 EHADLO COc1ccc(CCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000421551973 1028550628 /nfs/dbraw/zinc/55/06/28/1028550628.db2.gz AZMNKYGMECFCMQ-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)cc(C)[nH+]1 ZINC000421573530 1028566829 /nfs/dbraw/zinc/56/68/29/1028566829.db2.gz AZXQYGLCSCAFSN-SFHVURJKSA-N 1 2 326.440 3.871 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)CSc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421573939 1028567191 /nfs/dbraw/zinc/56/71/91/1028567191.db2.gz CKRXLYYYMGNIJO-GFCCVEGCSA-N 1 2 332.444 3.882 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000421576403 1028571467 /nfs/dbraw/zinc/57/14/67/1028571467.db2.gz MFUXPLWOELUDHL-JKSUJKDBSA-N 1 2 346.377 3.720 20 0 EHADLO Cn1c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)nc2ccccc21 ZINC000195047352 1028573054 /nfs/dbraw/zinc/57/30/54/1028573054.db2.gz XAVPBMAIRVAMGH-UHFFFAOYSA-N 1 2 333.435 3.668 20 0 EHADLO C[C@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000423708563 1028580474 /nfs/dbraw/zinc/58/04/74/1028580474.db2.gz HDBQWTNLMFUMMN-SECBINFHSA-N 1 2 331.243 3.663 20 0 EHADLO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195175555 1028588078 /nfs/dbraw/zinc/58/80/78/1028588078.db2.gz BKCGVZMVGGZXFG-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000459389527 1028611731 /nfs/dbraw/zinc/61/17/31/1028611731.db2.gz QVLFPERTWITBQA-OXQOHEQNSA-N 1 2 343.471 3.700 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423787213 1028612431 /nfs/dbraw/zinc/61/24/31/1028612431.db2.gz UUYBTPDGAUWTJC-ZXYWRSMDSA-N 1 2 344.405 3.759 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(O)c(F)c3F)c2c1 ZINC001212005277 1028664376 /nfs/dbraw/zinc/66/43/76/1028664376.db2.gz FAEHUYXFDIDTEK-UHFFFAOYSA-N 1 2 344.317 3.561 20 0 EHADLO Cc1ccoc1C[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429400075 1028713449 /nfs/dbraw/zinc/71/34/49/1028713449.db2.gz NVPCNFHLEZDEIG-HNNXBMFYSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccoc1C[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429400075 1028713465 /nfs/dbraw/zinc/71/34/65/1028713465.db2.gz NVPCNFHLEZDEIG-HNNXBMFYSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c(F)c1 ZINC000162400471 1028723800 /nfs/dbraw/zinc/72/38/00/1028723800.db2.gz QQGSJCVZPRPPKO-AWEZNQCLSA-N 1 2 336.451 3.741 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122750094 1028730598 /nfs/dbraw/zinc/73/05/98/1028730598.db2.gz YFIFIUPTOLTLTA-IIDMSEBBSA-N 1 2 329.419 3.626 20 0 EHADLO O=C(CCn1cc[nH+]c1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000278059539 1028733275 /nfs/dbraw/zinc/73/32/75/1028733275.db2.gz KCHCINDETNXTBQ-UHFFFAOYSA-N 1 2 338.238 3.776 20 0 EHADLO CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454310686 1028750129 /nfs/dbraw/zinc/75/01/29/1028750129.db2.gz GNOWNFLFRNLLAP-RTBURBONSA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@H](C)CN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532752632 1028772770 /nfs/dbraw/zinc/77/27/70/1028772770.db2.gz NIFSRNVFHFHZFJ-HNAYVOBHSA-N 1 2 342.487 3.929 20 0 EHADLO COc1ccccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000532739599 1028777203 /nfs/dbraw/zinc/77/72/03/1028777203.db2.gz JQSKKQIONVONDE-IBGZPJMESA-N 1 2 349.434 3.680 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247383624 1028784383 /nfs/dbraw/zinc/78/43/83/1028784383.db2.gz ICRWKNCVOVCTTR-SCTDSRPQSA-N 1 2 340.471 3.588 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000421822706 1028808688 /nfs/dbraw/zinc/80/86/88/1028808688.db2.gz BCXLGYQLPPGMIJ-JTQLQIEISA-N 1 2 347.768 3.958 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1ccncc1Cl)c1nnc2n1CCCCC2 ZINC000421826964 1028814478 /nfs/dbraw/zinc/81/44/78/1028814478.db2.gz VRARBYZNLSOSEI-IUODEOHRSA-N 1 2 333.867 3.855 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000025413000 1028825014 /nfs/dbraw/zinc/82/50/14/1028825014.db2.gz YQGNGSAXEPGGHZ-YVSFHVDLSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000025413000 1028825024 /nfs/dbraw/zinc/82/50/24/1028825024.db2.gz YQGNGSAXEPGGHZ-YVSFHVDLSA-N 1 2 340.467 3.515 20 0 EHADLO Fc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1Br ZINC000414556187 1028874438 /nfs/dbraw/zinc/87/44/38/1028874438.db2.gz NXMANQGUULKUIU-UHFFFAOYSA-N 1 2 342.237 3.607 20 0 EHADLO CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000248387908 1028877425 /nfs/dbraw/zinc/87/74/25/1028877425.db2.gz CHYWKGPEVRBYAB-JLSDUUJJSA-N 1 2 329.419 3.626 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)s1 ZINC000424196342 1028882641 /nfs/dbraw/zinc/88/26/41/1028882641.db2.gz FRHYARBPMFCZFS-GFCCVEGCSA-N 1 2 346.452 3.569 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000524127674 1028896911 /nfs/dbraw/zinc/89/69/11/1028896911.db2.gz FREJHBNVRUTVEQ-QGZVFWFLSA-N 1 2 332.488 3.556 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c2nccs2)c1C ZINC000248477224 1028917304 /nfs/dbraw/zinc/91/73/04/1028917304.db2.gz YPXNLVBNUIYHDC-GXFFZTMASA-N 1 2 347.484 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)c2nccs2)c1C ZINC000248477224 1028917318 /nfs/dbraw/zinc/91/73/18/1028917318.db2.gz YPXNLVBNUIYHDC-GXFFZTMASA-N 1 2 347.484 3.597 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2cccs2)o1 ZINC000248601346 1028921891 /nfs/dbraw/zinc/92/18/91/1028921891.db2.gz CQQVQMWOQVDQSL-HIFRSBDPSA-N 1 2 348.468 3.502 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2cccs2)o1 ZINC000248601346 1028921908 /nfs/dbraw/zinc/92/19/08/1028921908.db2.gz CQQVQMWOQVDQSL-HIFRSBDPSA-N 1 2 348.468 3.502 20 0 EHADLO Fc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc(C(F)(F)F)c1 ZINC000414561390 1028960697 /nfs/dbraw/zinc/96/06/97/1028960697.db2.gz ZBXYECUFYWHKAM-UHFFFAOYSA-N 1 2 331.338 3.863 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000343071467 1028963391 /nfs/dbraw/zinc/96/33/91/1028963391.db2.gz AOHDUAHJLJPBHZ-RTBURBONSA-N 1 2 331.419 3.567 20 0 EHADLO CCCOc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC ZINC000414561745 1028994604 /nfs/dbraw/zinc/99/46/04/1028994604.db2.gz ZRTIYDJIXHAELR-UHFFFAOYSA-N 1 2 333.457 3.503 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249217986 1028996233 /nfs/dbraw/zinc/99/62/33/1028996233.db2.gz BHNVYMSQBUQARY-HIFRSBDPSA-N 1 2 331.485 3.738 20 0 EHADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249217986 1028996257 /nfs/dbraw/zinc/99/62/57/1028996257.db2.gz BHNVYMSQBUQARY-HIFRSBDPSA-N 1 2 331.485 3.738 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1OC ZINC000245690653 1029011266 /nfs/dbraw/zinc/01/12/66/1029011266.db2.gz BHDAWSILUALNIE-CRAIPNDOSA-N 1 2 327.424 3.666 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1OC ZINC000245690653 1029011290 /nfs/dbraw/zinc/01/12/90/1029011290.db2.gz BHDAWSILUALNIE-CRAIPNDOSA-N 1 2 327.424 3.666 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000524271471 1029033869 /nfs/dbraw/zinc/03/38/69/1029033869.db2.gz NEVUSDMHPKJUEU-ZDUSSCGKSA-N 1 2 343.377 3.683 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000076730767 1029040771 /nfs/dbraw/zinc/04/07/71/1029040771.db2.gz DRFVSNKQBQSKSI-CYBMUJFWSA-N 1 2 333.407 3.513 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000076730767 1029040784 /nfs/dbraw/zinc/04/07/84/1029040784.db2.gz DRFVSNKQBQSKSI-CYBMUJFWSA-N 1 2 333.407 3.513 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000532900270 1029045109 /nfs/dbraw/zinc/04/51/09/1029045109.db2.gz VGXRPVMUGYIGOX-AWEZNQCLSA-N 1 2 338.835 3.778 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000532900270 1029045120 /nfs/dbraw/zinc/04/51/20/1029045120.db2.gz VGXRPVMUGYIGOX-AWEZNQCLSA-N 1 2 338.835 3.778 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC001126755552 1029051009 /nfs/dbraw/zinc/05/10/09/1029051009.db2.gz CCQOAEVTIKTGFM-NHYWBVRUSA-N 1 2 349.425 3.954 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000532928124 1029054664 /nfs/dbraw/zinc/05/46/64/1029054664.db2.gz ATHNFUJQEUGNEE-AWEZNQCLSA-N 1 2 349.887 3.751 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000532928124 1029054682 /nfs/dbraw/zinc/05/46/82/1029054682.db2.gz ATHNFUJQEUGNEE-AWEZNQCLSA-N 1 2 349.887 3.751 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000076990941 1029069382 /nfs/dbraw/zinc/06/93/82/1029069382.db2.gz GPGGZTJGRGPSRN-KRWDZBQOSA-N 1 2 328.412 3.699 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000076990941 1029069396 /nfs/dbraw/zinc/06/93/96/1029069396.db2.gz GPGGZTJGRGPSRN-KRWDZBQOSA-N 1 2 328.412 3.699 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000077548165 1029124869 /nfs/dbraw/zinc/12/48/69/1029124869.db2.gz OKSLVHNTEVHWBR-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000271727350 1029141304 /nfs/dbraw/zinc/14/13/04/1029141304.db2.gz XVDRSFDUPIHHGY-UONOGXRCSA-N 1 2 333.432 3.663 20 0 EHADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC=CC1 ZINC000077733435 1029150280 /nfs/dbraw/zinc/15/02/80/1029150280.db2.gz GMAXEKMPQYLRPO-UHFFFAOYSA-N 1 2 339.464 3.606 20 0 EHADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC=CC1 ZINC000077733435 1029150293 /nfs/dbraw/zinc/15/02/93/1029150293.db2.gz GMAXEKMPQYLRPO-UHFFFAOYSA-N 1 2 339.464 3.606 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000424600905 1029158192 /nfs/dbraw/zinc/15/81/92/1029158192.db2.gz UMIGLEVTUNLKRT-CQSZACIVSA-N 1 2 343.496 3.647 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000424600905 1029158214 /nfs/dbraw/zinc/15/82/14/1029158214.db2.gz UMIGLEVTUNLKRT-CQSZACIVSA-N 1 2 343.496 3.647 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000505062557 1029167362 /nfs/dbraw/zinc/16/73/62/1029167362.db2.gz LOOLWOIHVJJIAW-HKUYNNGSSA-N 1 2 325.456 3.876 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccnn1-c1ccccc1 ZINC000343438539 1029186770 /nfs/dbraw/zinc/18/67/70/1029186770.db2.gz CZZLIOXMMDXQFP-QGZVFWFLSA-N 1 2 343.434 3.909 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000271820434 1029187305 /nfs/dbraw/zinc/18/73/05/1029187305.db2.gz VPPGMCTWFOSIGM-CYBMUJFWSA-N 1 2 340.452 3.671 20 0 EHADLO CC[C@H]([NH2+]Cc1occc1C(=O)OC)c1ccccc1OC(F)F ZINC000271834557 1029192961 /nfs/dbraw/zinc/19/29/61/1029192961.db2.gz XOCRRYCLNSGCNK-ZDUSSCGKSA-N 1 2 339.338 3.909 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424655081 1029217536 /nfs/dbraw/zinc/21/75/36/1029217536.db2.gz AUJQCCSKGQAPKL-AEFFLSMTSA-N 1 2 329.488 3.905 20 0 EHADLO c1ccc(-c2cncc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000271927952 1029233216 /nfs/dbraw/zinc/23/32/16/1029233216.db2.gz HDXQEFFKPBLZTO-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO CC[C@H]1CCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000533084429 1029263267 /nfs/dbraw/zinc/26/32/67/1029263267.db2.gz OWCYSCKPYRWZAB-PKOBYXMFSA-N 1 2 340.471 3.825 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000191958681 1029265917 /nfs/dbraw/zinc/26/59/17/1029265917.db2.gz JVJMXKISRYKXDF-NQIIRXRSSA-N 1 2 349.434 3.589 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(OC)c1 ZINC000245773374 1029274096 /nfs/dbraw/zinc/27/40/96/1029274096.db2.gz SFMTXFUDKLGDHO-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(OC)c1 ZINC000245773374 1029274109 /nfs/dbraw/zinc/27/41/09/1029274109.db2.gz SFMTXFUDKLGDHO-ACJLOTCBSA-N 1 2 333.453 3.727 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2ccccc2)on1 ZINC000161779937 1029288892 /nfs/dbraw/zinc/28/88/92/1029288892.db2.gz PVNRJJUYMUVCIF-UHFFFAOYSA-N 1 2 330.347 3.984 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CCN(c2cccc[nH+]2)CC1 ZINC000154761767 1029307859 /nfs/dbraw/zinc/30/78/59/1029307859.db2.gz BEQDGJCPKKLWRC-UHFFFAOYSA-N 1 2 329.469 3.664 20 0 EHADLO O=C(CCn1cc[nH+]c1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000505167917 1029314105 /nfs/dbraw/zinc/31/41/05/1029314105.db2.gz OMPJPPLNJCTXRB-UHFFFAOYSA-N 1 2 331.847 3.902 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1Cl ZINC000505169847 1029315718 /nfs/dbraw/zinc/31/57/18/1029315718.db2.gz VJIQFNGSYXBCIF-IJEWVQPXSA-N 1 2 343.858 3.685 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)n2)cc1 ZINC000237450917 1029323859 /nfs/dbraw/zinc/32/38/59/1029323859.db2.gz IEFBYKMKJFGZFH-AUUYWEPGSA-N 1 2 337.423 3.887 20 0 EHADLO CCCOc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c(C)c1 ZINC000454845354 1029376092 /nfs/dbraw/zinc/37/60/92/1029376092.db2.gz PXUFSLWUKHXBTC-UHFFFAOYSA-N 1 2 341.455 3.795 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(-n2cncn2)cc1 ZINC000272243304 1029376374 /nfs/dbraw/zinc/37/63/74/1029376374.db2.gz JUAHWRYXPAXDJZ-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[C@@H](F)C1 ZINC000424855010 1029391580 /nfs/dbraw/zinc/39/15/80/1029391580.db2.gz SLPJFTWWMAKYBE-CHWSQXEVSA-N 1 2 335.810 3.670 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@H](C)[C@H](C)O1 ZINC000446077145 1029394537 /nfs/dbraw/zinc/39/45/37/1029394537.db2.gz ISVPDZNAVQLHOE-OAGGEKHMSA-N 1 2 344.430 3.797 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@H](C)[C@H](C)O1 ZINC000446077145 1029394552 /nfs/dbraw/zinc/39/45/52/1029394552.db2.gz ISVPDZNAVQLHOE-OAGGEKHMSA-N 1 2 344.430 3.797 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000079952805 1029417222 /nfs/dbraw/zinc/41/72/22/1029417222.db2.gz GODIIFGOHYCLFL-KRWDZBQOSA-N 1 2 348.450 3.800 20 0 EHADLO Clc1ccc2c(c1)ncnc2NC1CCN(c2cccc[nH+]2)CC1 ZINC000261373088 1029440290 /nfs/dbraw/zinc/44/02/90/1029440290.db2.gz YJBGUHQUPUSNGO-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO CCCC(=O)Nc1ccc(-c2nc([C@@H]3COCC[NH2+]3)sc2C)cc1 ZINC000446139103 1029444379 /nfs/dbraw/zinc/44/43/79/1029444379.db2.gz PUTJJLAZKVQCBZ-HNNXBMFYSA-N 1 2 345.468 3.518 20 0 EHADLO C[C@H]1C[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000272437235 1029460102 /nfs/dbraw/zinc/46/01/02/1029460102.db2.gz KPJHELJRZKREFM-MNZLEMJZSA-N 1 2 325.456 3.620 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000505330677 1029477064 /nfs/dbraw/zinc/47/70/64/1029477064.db2.gz LSPGLAPDMQHITR-UHFFFAOYSA-N 1 2 331.460 3.872 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224725 1029491584 /nfs/dbraw/zinc/49/15/84/1029491584.db2.gz GYDKKEHEDRGVPD-HZPDHXFCSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224725 1029491591 /nfs/dbraw/zinc/49/15/91/1029491591.db2.gz GYDKKEHEDRGVPD-HZPDHXFCSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224723 1029492193 /nfs/dbraw/zinc/49/21/93/1029492193.db2.gz GYDKKEHEDRGVPD-CVEARBPZSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224723 1029492195 /nfs/dbraw/zinc/49/21/95/1029492195.db2.gz GYDKKEHEDRGVPD-CVEARBPZSA-N 1 2 328.456 3.848 20 0 EHADLO COc1ccc2cccc(CC(=O)Nc3ccc4[nH+]c(C)cn4c3)c2c1 ZINC000513821719 1029522590 /nfs/dbraw/zinc/52/25/90/1029522590.db2.gz OLUHRGVKGUQNFK-UHFFFAOYSA-N 1 2 345.402 3.986 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(C4CCCCC4)c3C)ccc2[nH+]1 ZINC000272615757 1029536909 /nfs/dbraw/zinc/53/69/09/1029536909.db2.gz ILCROYXMGQWUSE-UHFFFAOYSA-N 1 2 337.427 3.905 20 0 EHADLO Clc1cccc([C@@H]2C[N@H+](Cc3cccc4c3NCC4)CCO2)c1 ZINC000262037010 1029553380 /nfs/dbraw/zinc/55/33/80/1029553380.db2.gz XUCYQKXXKVHMOE-SFHVURJKSA-N 1 2 328.843 3.882 20 0 EHADLO Clc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3NCC4)CCO2)c1 ZINC000262037010 1029553392 /nfs/dbraw/zinc/55/33/92/1029553392.db2.gz XUCYQKXXKVHMOE-SFHVURJKSA-N 1 2 328.843 3.882 20 0 EHADLO O=C(CCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000434285040 1029558194 /nfs/dbraw/zinc/55/81/94/1029558194.db2.gz AGMHJGQPDFHYGR-UHFFFAOYSA-N 1 2 339.439 3.559 20 0 EHADLO O=C(CCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000434285040 1029558202 /nfs/dbraw/zinc/55/82/02/1029558202.db2.gz AGMHJGQPDFHYGR-UHFFFAOYSA-N 1 2 339.439 3.559 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC4)C3)n2)C1 ZINC000343162408 1029575488 /nfs/dbraw/zinc/57/54/88/1029575488.db2.gz YTFTVSNNHKWUEA-HIFRSBDPSA-N 1 2 348.516 3.639 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC4)C3)n2)C1 ZINC000343162408 1029575495 /nfs/dbraw/zinc/57/54/95/1029575495.db2.gz YTFTVSNNHKWUEA-HIFRSBDPSA-N 1 2 348.516 3.639 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000536645360 1029595135 /nfs/dbraw/zinc/59/51/35/1029595135.db2.gz PCTXRXDPAODDMZ-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000536645360 1029595144 /nfs/dbraw/zinc/59/51/44/1029595144.db2.gz PCTXRXDPAODDMZ-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)C)CC2)c(Cl)c1 ZINC000533338678 1029636051 /nfs/dbraw/zinc/63/60/51/1029636051.db2.gz NPZZFWOHKKXZJR-CQSZACIVSA-N 1 2 338.879 3.865 20 0 EHADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000126024794 1029651838 /nfs/dbraw/zinc/65/18/38/1029651838.db2.gz HDHNSOQBVVGBJN-YVEFUNNKSA-N 1 2 332.831 3.616 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000583348715 1029678477 /nfs/dbraw/zinc/67/84/77/1029678477.db2.gz BTVGEPKIKRELMC-ICSRJNTNSA-N 1 2 345.414 3.774 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000583348715 1029678483 /nfs/dbraw/zinc/67/84/83/1029678483.db2.gz BTVGEPKIKRELMC-ICSRJNTNSA-N 1 2 345.414 3.774 20 0 EHADLO Cc1cnn(CC2CCOCC2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213088049 1029690879 /nfs/dbraw/zinc/69/08/79/1029690879.db2.gz MZRAJJCMNBYQKX-UHFFFAOYSA-N 1 2 337.427 3.752 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000079710017 1029699753 /nfs/dbraw/zinc/69/97/53/1029699753.db2.gz VSLYLVXSPHOCGD-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO CCN(CC)c1ncc(CNc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000155935897 1029700921 /nfs/dbraw/zinc/70/09/21/1029700921.db2.gz ZZSFTBJDIMXCOQ-UHFFFAOYSA-N 1 2 327.457 3.787 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126387521 1029714659 /nfs/dbraw/zinc/71/46/59/1029714659.db2.gz XKXAAHBCESAJDO-MFTLYIETSA-N 1 2 329.831 3.659 20 0 EHADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000926487989 1029782097 /nfs/dbraw/zinc/78/20/97/1029782097.db2.gz QRNSCVRVTMEMEB-YUMQZZPRSA-N 1 2 328.185 3.691 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000428623906 1029782894 /nfs/dbraw/zinc/78/28/94/1029782894.db2.gz IGBICJIHSPIJNI-RCCFBDPRSA-N 1 2 346.519 3.836 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000428623899 1029783146 /nfs/dbraw/zinc/78/31/46/1029783146.db2.gz IGBICJIHSPIJNI-FGTMMUONSA-N 1 2 346.519 3.836 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000271177802 1029787717 /nfs/dbraw/zinc/78/77/17/1029787717.db2.gz KYNJHKSMWCYLIL-DZGCQCFKSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000271177802 1029787722 /nfs/dbraw/zinc/78/77/22/1029787722.db2.gz KYNJHKSMWCYLIL-DZGCQCFKSA-N 1 2 342.386 3.698 20 0 EHADLO CC(C)[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000446851613 1029819912 /nfs/dbraw/zinc/81/99/12/1029819912.db2.gz DMUZQPWWMVCGHR-FUHWJXTLSA-N 1 2 345.487 3.590 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cs1 ZINC000156452178 1029841474 /nfs/dbraw/zinc/84/14/74/1029841474.db2.gz RPUOMRIHGCGDBT-LLVKDONJSA-N 1 2 347.875 3.790 20 0 EHADLO CC(C)CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CCCC1 ZINC000508731480 1029843199 /nfs/dbraw/zinc/84/31/99/1029843199.db2.gz BQMLPSGQSZPQPV-IEBWSBKVSA-N 1 2 343.515 3.971 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000114823388 1029854664 /nfs/dbraw/zinc/85/46/64/1029854664.db2.gz LGEZUPAJMALUKP-QGZVFWFLSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@@H](c1ccccc1)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000508578933 1029867026 /nfs/dbraw/zinc/86/70/26/1029867026.db2.gz AFKGUROKLLLDQS-FUHIMQAGSA-N 1 2 349.478 3.906 20 0 EHADLO c1ccc2c(c1)CCN(c1cc(N3CCc4ccccc4C3)[nH+]cn1)C2 ZINC000243377846 1029867637 /nfs/dbraw/zinc/86/76/37/1029867637.db2.gz MEZIABBSTKYBSW-UHFFFAOYSA-N 1 2 342.446 3.602 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000536038977 1029867964 /nfs/dbraw/zinc/86/79/64/1029867964.db2.gz OCYPQZPAUVZOKL-LLVKDONJSA-N 1 2 346.780 3.712 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000536038977 1029867969 /nfs/dbraw/zinc/86/79/69/1029867969.db2.gz OCYPQZPAUVZOKL-LLVKDONJSA-N 1 2 346.780 3.712 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1O ZINC000428462316 1029874337 /nfs/dbraw/zinc/87/43/37/1029874337.db2.gz KNVNMKBGVYSPRI-NOZJJQNGSA-N 1 2 341.295 3.927 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1O ZINC000428462316 1029874345 /nfs/dbraw/zinc/87/43/45/1029874345.db2.gz KNVNMKBGVYSPRI-NOZJJQNGSA-N 1 2 341.295 3.927 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000156531390 1029874487 /nfs/dbraw/zinc/87/44/87/1029874487.db2.gz YMDNRTNXFXMIMR-MAUKXSAKSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ncccc1C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000162767793 1029880302 /nfs/dbraw/zinc/88/03/02/1029880302.db2.gz RFMSMCYHPRHYIK-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO CCN(C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1)CC(F)(F)F ZINC000151002739 1029880853 /nfs/dbraw/zinc/88/08/53/1029880853.db2.gz OKAQLHJKISDMHI-AWEZNQCLSA-N 1 2 344.425 3.619 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428464862 1029888058 /nfs/dbraw/zinc/88/80/58/1029888058.db2.gz UXTATTWEASXQCY-SWLSCSKDSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428464862 1029888065 /nfs/dbraw/zinc/88/80/65/1029888065.db2.gz UXTATTWEASXQCY-SWLSCSKDSA-N 1 2 327.877 3.508 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000120135210 1029898929 /nfs/dbraw/zinc/89/89/29/1029898929.db2.gz KRYNNTOHBLTBIX-HNNXBMFYSA-N 1 2 348.805 3.571 20 0 EHADLO O=C(C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000120135210 1029898948 /nfs/dbraw/zinc/89/89/48/1029898948.db2.gz KRYNNTOHBLTBIX-HNNXBMFYSA-N 1 2 348.805 3.571 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc31)CS2 ZINC000453201104 1029901515 /nfs/dbraw/zinc/90/15/15/1029901515.db2.gz AAWWQTYJGPIHPN-RYUDHWBXSA-N 1 2 336.258 3.527 20 0 EHADLO CC(C)CCn1cccc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000537625709 1029903567 /nfs/dbraw/zinc/90/35/67/1029903567.db2.gz OXCXEKDHALZEPX-UHFFFAOYSA-N 1 2 349.416 3.552 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000447079449 1029906994 /nfs/dbraw/zinc/90/69/94/1029906994.db2.gz ZEXVFEAUTZLDDH-UHFFFAOYSA-N 1 2 331.460 3.747 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000447079449 1029907011 /nfs/dbraw/zinc/90/70/11/1029907011.db2.gz ZEXVFEAUTZLDDH-UHFFFAOYSA-N 1 2 331.460 3.747 20 0 EHADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000525585512 1029917902 /nfs/dbraw/zinc/91/79/02/1029917902.db2.gz WJEFRKBCDVGPEU-UHFFFAOYSA-N 1 2 343.858 3.723 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)C(C)(F)F)n2)C1 ZINC000448770382 1029935626 /nfs/dbraw/zinc/93/56/26/1029935626.db2.gz LMGBEIISCGAESN-NSHDSACASA-N 1 2 345.459 3.995 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)C(C)(F)F)n2)C1 ZINC000448770382 1029935645 /nfs/dbraw/zinc/93/56/45/1029935645.db2.gz LMGBEIISCGAESN-NSHDSACASA-N 1 2 345.459 3.995 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000667952040 1029969464 /nfs/dbraw/zinc/96/94/64/1029969464.db2.gz PGOZTMDRFXGIEM-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000667952040 1029969483 /nfs/dbraw/zinc/96/94/83/1029969483.db2.gz PGOZTMDRFXGIEM-UHFFFAOYSA-N 1 2 338.455 3.691 20 0 EHADLO COC(=O)[C@@H]1C[C@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1(C)C ZINC001168336791 1030015744 /nfs/dbraw/zinc/01/57/44/1030015744.db2.gz OURNAGSVQPZQTN-KWQFWETISA-N 1 2 341.333 3.581 20 0 EHADLO Cc1csc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 ZINC000481841555 1030033668 /nfs/dbraw/zinc/03/36/68/1030033668.db2.gz XWGMJMHQYONSGW-KKUMJFAQSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1csc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 ZINC000481841555 1030033679 /nfs/dbraw/zinc/03/36/79/1030033679.db2.gz XWGMJMHQYONSGW-KKUMJFAQSA-N 1 2 336.501 3.926 20 0 EHADLO c1cn(-c2ccnc(-c3nc(C45CC6CC(CC(C6)C4)C5)no3)c2)c[nH+]1 ZINC000447248749 1030041847 /nfs/dbraw/zinc/04/18/47/1030041847.db2.gz SQQALFCUDRBJKX-UHFFFAOYSA-N 1 2 347.422 3.785 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1C ZINC000556018191 1030055368 /nfs/dbraw/zinc/05/53/68/1030055368.db2.gz MCJBMGXFVIAYIT-UKRRQHHQSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1C ZINC000556018191 1030055383 /nfs/dbraw/zinc/05/53/83/1030055383.db2.gz MCJBMGXFVIAYIT-UKRRQHHQSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453302766 1030070836 /nfs/dbraw/zinc/07/08/36/1030070836.db2.gz AVPFBIJPYLNEMV-RISCZKNCSA-N 1 2 334.261 3.829 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccccc1I ZINC000090207743 1030089903 /nfs/dbraw/zinc/08/99/03/1030089903.db2.gz OOGFAEJJDJGNAK-UHFFFAOYSA-N 1 2 341.196 3.681 20 0 EHADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCC(C)(C)CC1 ZINC000447320642 1030106520 /nfs/dbraw/zinc/10/65/20/1030106520.db2.gz DMEVAIJLDBLSFW-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(F)c1 ZINC000090450367 1030115208 /nfs/dbraw/zinc/11/52/08/1030115208.db2.gz IJPITDJUAOTDGT-ZIAGYGMSSA-N 1 2 340.402 3.827 20 0 EHADLO C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000531948487 1030116581 /nfs/dbraw/zinc/11/65/81/1030116581.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948487 1030116592 /nfs/dbraw/zinc/11/65/92/1030116592.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948487 1030116599 /nfs/dbraw/zinc/11/65/99/1030116599.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 2 335.923 3.549 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](c2nc(-c3ccncc3)no2)C(C)C)[nH+]1 ZINC000531962087 1030147933 /nfs/dbraw/zinc/14/79/33/1030147933.db2.gz MZJAZBYLZBJXGT-AWEZNQCLSA-N 1 2 349.398 3.521 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000138821263 1030192308 /nfs/dbraw/zinc/19/23/08/1030192308.db2.gz PZNIEVYZCSEXDP-KURKYZTESA-N 1 2 346.519 3.743 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2ccco2)cc1 ZINC000453404836 1030211142 /nfs/dbraw/zinc/21/11/42/1030211142.db2.gz NXHZYUDZDSVYEM-YLJYHZDGSA-N 1 2 337.423 3.778 20 0 EHADLO CCCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)o1 ZINC000453392596 1030240252 /nfs/dbraw/zinc/24/02/52/1030240252.db2.gz RBCLJCHTRGLJGM-GFCCVEGCSA-N 1 2 345.834 3.712 20 0 EHADLO c1cc(CNc2ncnc3c2CCCC3)cc(N2CCCCCC2)[nH+]1 ZINC000152788030 1030256755 /nfs/dbraw/zinc/25/67/55/1030256755.db2.gz KUWNVRCKIQZERU-UHFFFAOYSA-N 1 2 337.471 3.743 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000458621468 1030331638 /nfs/dbraw/zinc/33/16/38/1030331638.db2.gz PXUPHCALKDDRSC-SCTDSRPQSA-N 1 2 349.425 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000458621468 1030331654 /nfs/dbraw/zinc/33/16/54/1030331654.db2.gz PXUPHCALKDDRSC-SCTDSRPQSA-N 1 2 349.425 3.508 20 0 EHADLO Cc1ccoc1C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000091949830 1030341088 /nfs/dbraw/zinc/34/10/88/1030341088.db2.gz MGOHMXQERCPPFX-UHFFFAOYSA-N 1 2 333.501 3.660 20 0 EHADLO CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121757857 1030356790 /nfs/dbraw/zinc/35/67/90/1030356790.db2.gz MDQINMDNWNFNCI-ZWKOTPCHSA-N 1 2 344.503 3.792 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000092067487 1030369997 /nfs/dbraw/zinc/36/99/97/1030369997.db2.gz VTVNUEOYESIITK-AWEZNQCLSA-N 1 2 348.270 3.629 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000092067487 1030370016 /nfs/dbraw/zinc/37/00/16/1030370016.db2.gz VTVNUEOYESIITK-AWEZNQCLSA-N 1 2 348.270 3.629 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1sccc1Br ZINC000453608426 1030397031 /nfs/dbraw/zinc/39/70/31/1030397031.db2.gz HJRUQVMBMDTQMZ-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1sccc1Br ZINC000453608426 1030397052 /nfs/dbraw/zinc/39/70/52/1030397052.db2.gz HJRUQVMBMDTQMZ-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCSC(C)(C)CC2)c1 ZINC000447641159 1030397567 /nfs/dbraw/zinc/39/75/67/1030397567.db2.gz ZYVFZJUUIKCHSY-UHFFFAOYSA-N 1 2 329.469 3.538 20 0 EHADLO Cc1cc(F)ccc1C[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000526081131 1030404510 /nfs/dbraw/zinc/40/45/10/1030404510.db2.gz PIHRAIITSAWPHV-DEOSSOPVSA-N 1 2 342.439 3.828 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2cc(Cl)ccc2n1C ZINC000453628780 1030430698 /nfs/dbraw/zinc/43/06/98/1030430698.db2.gz WSJPRHVVZDIPLO-UHFFFAOYSA-N 1 2 345.878 3.618 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2cc(Cl)ccc2n1C ZINC000453628780 1030430704 /nfs/dbraw/zinc/43/07/04/1030430704.db2.gz WSJPRHVVZDIPLO-UHFFFAOYSA-N 1 2 345.878 3.618 20 0 EHADLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000447735199 1030458337 /nfs/dbraw/zinc/45/83/37/1030458337.db2.gz CCBXNMIDEOIQME-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000447735199 1030458347 /nfs/dbraw/zinc/45/83/47/1030458347.db2.gz CCBXNMIDEOIQME-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO O=C(NCc1cc(F)c(Cl)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000447735246 1030459045 /nfs/dbraw/zinc/45/90/45/1030459045.db2.gz CMKAEYWVTCMTAO-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)n1cc[nH+]c1 ZINC000635154756 1030511390 /nfs/dbraw/zinc/51/13/90/1030511390.db2.gz XBHCROPOOMJRGM-HZPDHXFCSA-N 1 2 347.459 3.963 20 0 EHADLO Cc1cc(Cl)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1C ZINC000343365100 1030514496 /nfs/dbraw/zinc/51/44/96/1030514496.db2.gz LMNPBJBDNWMHBY-UHFFFAOYSA-N 1 2 340.814 3.849 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447830578 1030521473 /nfs/dbraw/zinc/52/14/73/1030521473.db2.gz KWERTFUZNLRYBT-HPTBWKMGSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447830578 1030521486 /nfs/dbraw/zinc/52/14/86/1030521486.db2.gz KWERTFUZNLRYBT-HPTBWKMGSA-N 1 2 327.827 3.808 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343366769 1030525254 /nfs/dbraw/zinc/52/52/54/1030525254.db2.gz OUJWFFSVDDRXDX-DUXPYHPUSA-N 1 2 336.370 3.508 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1c(Cl)ccc2cccnc21 ZINC000447835406 1030525711 /nfs/dbraw/zinc/52/57/11/1030525711.db2.gz TVWCTUABLVLUQG-UHFFFAOYSA-N 1 2 347.871 3.993 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1c(Cl)ccc2cccnc21 ZINC000447835406 1030525717 /nfs/dbraw/zinc/52/57/17/1030525717.db2.gz TVWCTUABLVLUQG-UHFFFAOYSA-N 1 2 347.871 3.993 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000526970280 1030527037 /nfs/dbraw/zinc/52/70/37/1030527037.db2.gz QBDVUEOOYHACTF-CYBMUJFWSA-N 1 2 331.218 3.898 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526970280 1030527050 /nfs/dbraw/zinc/52/70/50/1030527050.db2.gz QBDVUEOOYHACTF-CYBMUJFWSA-N 1 2 331.218 3.898 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000526975639 1030532892 /nfs/dbraw/zinc/53/28/92/1030532892.db2.gz CVUJTRXIPHIMPN-QGZVFWFLSA-N 1 2 339.483 3.995 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000526975639 1030532902 /nfs/dbraw/zinc/53/29/02/1030532902.db2.gz CVUJTRXIPHIMPN-QGZVFWFLSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1cc2[nH]c(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2c(C)c1 ZINC000343370102 1030534205 /nfs/dbraw/zinc/53/42/05/1030534205.db2.gz QGONASJTEDLFJG-UHFFFAOYSA-N 1 2 345.406 3.677 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1scnc1C1CC1 ZINC000527003158 1030555015 /nfs/dbraw/zinc/55/50/15/1030555015.db2.gz YDWGZVSTBQPVSN-UHFFFAOYSA-N 1 2 348.378 3.596 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CCC(C(C)C)CC1)C2 ZINC000527013762 1030563817 /nfs/dbraw/zinc/56/38/17/1030563817.db2.gz BRUJVTXIXKUKGO-HWOWSKLDSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCC(C(C)C)CC1)CC2 ZINC000527013762 1030563823 /nfs/dbraw/zinc/56/38/23/1030563823.db2.gz BRUJVTXIXKUKGO-HWOWSKLDSA-N 1 2 331.504 3.969 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c[nH]1 ZINC000532359210 1030565469 /nfs/dbraw/zinc/56/54/69/1030565469.db2.gz FITZZWWOYAGGJQ-UHFFFAOYSA-N 1 2 339.222 3.887 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000532348746 1030574049 /nfs/dbraw/zinc/57/40/49/1030574049.db2.gz NTRPJJACQQKOMD-MHORFTMASA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-n2cccc2)s1 ZINC000668089128 1030579401 /nfs/dbraw/zinc/57/94/01/1030579401.db2.gz OKRYXWSOWRBSDY-CQSZACIVSA-N 1 2 340.452 3.590 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)s1 ZINC000343378868 1030593882 /nfs/dbraw/zinc/59/38/82/1030593882.db2.gz VVGNIOQKLLGWAY-NSHDSACASA-N 1 2 346.843 3.784 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ncc(C(C)(C)C)s1 ZINC000447949182 1030600276 /nfs/dbraw/zinc/60/02/76/1030600276.db2.gz VLUYBUKPRMVBFQ-UHFFFAOYSA-N 1 2 332.448 3.983 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F ZINC000093418325 1030609669 /nfs/dbraw/zinc/60/96/69/1030609669.db2.gz PTGZWRSEZHJAQK-QWHCGFSZSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F ZINC000093418325 1030609680 /nfs/dbraw/zinc/60/96/80/1030609680.db2.gz PTGZWRSEZHJAQK-QWHCGFSZSA-N 1 2 347.377 3.636 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(Cl)ccc1OC(F)F ZINC000482663541 1030613384 /nfs/dbraw/zinc/61/33/84/1030613384.db2.gz CCUSSNHLSIMJHZ-UHFFFAOYSA-N 1 2 337.713 3.841 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457521 1030614551 /nfs/dbraw/zinc/61/45/51/1030614551.db2.gz SXSDYVRCRNSXHP-HXUWFJFHSA-N 1 2 349.434 3.664 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457521 1030614558 /nfs/dbraw/zinc/61/45/58/1030614558.db2.gz SXSDYVRCRNSXHP-HXUWFJFHSA-N 1 2 349.434 3.664 20 0 EHADLO COCC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000064555009 1030672232 /nfs/dbraw/zinc/67/22/32/1030672232.db2.gz QTHKIWRPEQJJBA-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO COCC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000064555009 1030672236 /nfs/dbraw/zinc/67/22/36/1030672236.db2.gz QTHKIWRPEQJJBA-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)cc1 ZINC000635197841 1030682760 /nfs/dbraw/zinc/68/27/60/1030682760.db2.gz BCZPOIZIGQZFOD-LMMKCTJWSA-N 1 2 325.456 3.979 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)cc1 ZINC000635197841 1030682767 /nfs/dbraw/zinc/68/27/67/1030682767.db2.gz BCZPOIZIGQZFOD-LMMKCTJWSA-N 1 2 325.456 3.979 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccn(C2CCCCC2)n1 ZINC000527164681 1030690283 /nfs/dbraw/zinc/69/02/83/1030690283.db2.gz ZWDMPGQVPPFJFS-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccccc1 ZINC000093899341 1030696553 /nfs/dbraw/zinc/69/65/53/1030696553.db2.gz ZSPCKWQWUQWPLU-LJQANCHMSA-N 1 2 344.430 3.534 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527242853 1030732986 /nfs/dbraw/zinc/73/29/86/1030732986.db2.gz ABWMWGLZWYYWHO-UKRRQHHQSA-N 1 2 341.455 3.984 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527242853 1030733003 /nfs/dbraw/zinc/73/30/03/1030733003.db2.gz ABWMWGLZWYYWHO-UKRRQHHQSA-N 1 2 341.455 3.984 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)C2 ZINC000527247395 1030735082 /nfs/dbraw/zinc/73/50/82/1030735082.db2.gz JSKUAHPXJJNQDM-BZUAXINKSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)CC2 ZINC000527247395 1030735098 /nfs/dbraw/zinc/73/50/98/1030735098.db2.gz JSKUAHPXJJNQDM-BZUAXINKSA-N 1 2 331.504 3.971 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000042511444 1030741441 /nfs/dbraw/zinc/74/14/41/1030741441.db2.gz IUVULTUCRFALLL-INIZCTEOSA-N 1 2 329.444 3.661 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476643964 1030762003 /nfs/dbraw/zinc/76/20/03/1030762003.db2.gz QCTADUQESUKEPC-DOEAQHAXSA-N 1 2 336.426 3.508 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476643964 1030762016 /nfs/dbraw/zinc/76/20/16/1030762016.db2.gz QCTADUQESUKEPC-DOEAQHAXSA-N 1 2 336.426 3.508 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C)c1nccn1C ZINC000657794560 1030762569 /nfs/dbraw/zinc/76/25/69/1030762569.db2.gz TUGVRWQHRUVMJA-OAHLLOKOSA-N 1 2 337.471 3.754 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000171129913 1030763664 /nfs/dbraw/zinc/76/36/64/1030763664.db2.gz BHWLRNOSJYPAAT-CYBMUJFWSA-N 1 2 338.386 3.652 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc2cc[nH]c2c1 ZINC000194248196 1030776458 /nfs/dbraw/zinc/77/64/58/1030776458.db2.gz MRNZWSAOAJZGHE-UHFFFAOYSA-N 1 2 349.438 3.875 20 0 EHADLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000171536395 1030792377 /nfs/dbraw/zinc/79/23/77/1030792377.db2.gz HISOWRIODFEISS-UHFFFAOYSA-N 1 2 331.847 3.678 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000527324521 1030796073 /nfs/dbraw/zinc/79/60/73/1030796073.db2.gz KZOMQRBWHVYASU-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCc3c(C)cccc32)cs1 ZINC000657797735 1030827097 /nfs/dbraw/zinc/82/70/97/1030827097.db2.gz MCRYXFVSTKSOHU-SFHVURJKSA-N 1 2 343.496 3.992 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000172334206 1030867590 /nfs/dbraw/zinc/86/75/90/1030867590.db2.gz BHPZCEYIHAFAKF-GOSISDBHSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000172334206 1030867603 /nfs/dbraw/zinc/86/76/03/1030867603.db2.gz BHPZCEYIHAFAKF-GOSISDBHSA-N 1 2 329.444 3.818 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000482976980 1030876210 /nfs/dbraw/zinc/87/62/10/1030876210.db2.gz FWFGEJHZDWWRBW-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000482976980 1030876227 /nfs/dbraw/zinc/87/62/27/1030876227.db2.gz FWFGEJHZDWWRBW-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000482999620 1030899280 /nfs/dbraw/zinc/89/92/80/1030899280.db2.gz SPTRAAWDVZKXTK-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000482999620 1030899296 /nfs/dbraw/zinc/89/92/96/1030899296.db2.gz SPTRAAWDVZKXTK-KRWDZBQOSA-N 1 2 347.462 3.852 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000123054363 1030903929 /nfs/dbraw/zinc/90/39/29/1030903929.db2.gz CIXOUZJCJXTZRI-UHFFFAOYSA-N 1 2 342.487 3.945 20 0 EHADLO COc1cccc(CO[C@@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000097293814 1030913454 /nfs/dbraw/zinc/91/34/54/1030913454.db2.gz KILSENBKIAORAJ-HNNXBMFYSA-N 1 2 328.412 3.559 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)no1 ZINC000671120638 1030921802 /nfs/dbraw/zinc/92/18/02/1030921802.db2.gz BEOOXOQANXLOAC-QGZVFWFLSA-N 1 2 330.428 3.863 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760145072 1030937899 /nfs/dbraw/zinc/93/78/99/1030937899.db2.gz IOIBYRKVYHDDLS-XJKSGUPXSA-N 1 2 349.862 3.535 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000115985060 1030958844 /nfs/dbraw/zinc/95/88/44/1030958844.db2.gz SVOIJASULKSLBL-GJZGRUSLSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666962047 1031059139 /nfs/dbraw/zinc/05/91/39/1031059139.db2.gz XHXIYQGJVKGLRX-UONOGXRCSA-N 1 2 343.858 3.851 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1Cl ZINC000527635471 1031060672 /nfs/dbraw/zinc/06/06/72/1031060672.db2.gz KJRGBZARLTXGPJ-UHFFFAOYSA-N 1 2 337.801 3.903 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247431213 1031062444 /nfs/dbraw/zinc/06/24/44/1031062444.db2.gz IIRVMUBCUGHDEE-BXWFABGCSA-N 1 2 340.471 3.799 20 0 EHADLO Clc1cnccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000527642478 1031070418 /nfs/dbraw/zinc/07/04/18/1031070418.db2.gz UDRIVXSBXCSKQA-UHFFFAOYSA-N 1 2 338.842 3.699 20 0 EHADLO Cc1ccccc1CC(N)=[NH+]O[C@H](C)c1nc(-c2cccs2)no1 ZINC000080291520 1031081811 /nfs/dbraw/zinc/08/18/11/1031081811.db2.gz QOOXGSGWAJBWHJ-GFCCVEGCSA-N 1 2 342.424 3.699 20 0 EHADLO CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343492714 1031115533 /nfs/dbraw/zinc/11/55/33/1031115533.db2.gz NYJDUFCGLLSMTJ-UXHICEINSA-N 1 2 347.418 3.557 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ccsc1Br ZINC000527696493 1031129848 /nfs/dbraw/zinc/12/98/48/1031129848.db2.gz KPMBWUSWKALXQE-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ncc(-c2ccccc2)o1 ZINC000173900499 1031155406 /nfs/dbraw/zinc/15/54/06/1031155406.db2.gz CRGXZRDPUGVXJC-OAHLLOKOSA-N 1 2 349.434 3.894 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000174037796 1031157125 /nfs/dbraw/zinc/15/71/25/1031157125.db2.gz XRIFCDLGGJHYFL-OAHLLOKOSA-N 1 2 347.418 3.582 20 0 EHADLO CCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@H](CC)C(=O)OCC ZINC000483437144 1031168188 /nfs/dbraw/zinc/16/81/88/1031168188.db2.gz HAQWSBYAVWNRTF-QGZVFWFLSA-N 1 2 337.508 3.809 20 0 EHADLO CCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@H](CC)C(=O)OCC ZINC000483437144 1031168192 /nfs/dbraw/zinc/16/81/92/1031168192.db2.gz HAQWSBYAVWNRTF-QGZVFWFLSA-N 1 2 337.508 3.809 20 0 EHADLO CC1(C)CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCc2ccccc21 ZINC000666975564 1031195620 /nfs/dbraw/zinc/19/56/20/1031195620.db2.gz SBEPCJRAJWLYAY-UHFFFAOYSA-N 1 2 334.423 3.702 20 0 EHADLO Cc1[nH]c(CN[C@H](C)c2cc(F)c(Br)cc2F)[nH+]c1C ZINC000527752734 1031209024 /nfs/dbraw/zinc/20/90/24/1031209024.db2.gz PECLEFIFDSXGDZ-SECBINFHSA-N 1 2 344.203 3.918 20 0 EHADLO COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000174471401 1031221367 /nfs/dbraw/zinc/22/13/67/1031221367.db2.gz UVAHSSZGLBHTSR-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO COCc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000174664656 1031239937 /nfs/dbraw/zinc/23/99/37/1031239937.db2.gz RDXQTIZILOYGMR-CYBMUJFWSA-N 1 2 341.386 3.873 20 0 EHADLO CC[C@H](C)[C@@H](OC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000477089925 1031242718 /nfs/dbraw/zinc/24/27/18/1031242718.db2.gz PBFZQMKYESDTNF-KBXCAEBGSA-N 1 2 341.455 3.886 20 0 EHADLO CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000343533153 1031278081 /nfs/dbraw/zinc/27/80/81/1031278081.db2.gz PXCFLTWCKCXOBU-PMACEKPBSA-N 1 2 347.418 3.557 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000175304292 1031292095 /nfs/dbraw/zinc/29/20/95/1031292095.db2.gz MXPMEQSTBXORJM-HOTGVXAUSA-N 1 2 344.503 3.659 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@H](COC)C1 ZINC000483715989 1031295198 /nfs/dbraw/zinc/29/51/98/1031295198.db2.gz TXLAXGYSXFYVFS-WMLDXEAASA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@H](COC)C1 ZINC000483715989 1031295214 /nfs/dbraw/zinc/29/52/14/1031295214.db2.gz TXLAXGYSXFYVFS-WMLDXEAASA-N 1 2 339.863 3.693 20 0 EHADLO O=C(CC1CCCC1)N1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527838886 1031309820 /nfs/dbraw/zinc/30/98/20/1031309820.db2.gz DTAHTFHSBSDBBG-UHFFFAOYSA-N 1 2 337.467 3.854 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C2CC2)cn1 ZINC000527842159 1031319025 /nfs/dbraw/zinc/31/90/25/1031319025.db2.gz MJIYGGRCWLFWOI-AWEZNQCLSA-N 1 2 343.374 3.806 20 0 EHADLO O=C(CC1CCN(c2[nH+]ccc3ccccc32)CC1)NC1CCCC1 ZINC000527857419 1031332561 /nfs/dbraw/zinc/33/25/61/1031332561.db2.gz AYQMVFUKVGAYOR-UHFFFAOYSA-N 1 2 337.467 3.900 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000343555667 1031371127 /nfs/dbraw/zinc/37/11/27/1031371127.db2.gz LLTDZNGEKVLWHH-UHFFFAOYSA-N 1 2 338.430 3.647 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000343555667 1031371143 /nfs/dbraw/zinc/37/11/43/1031371143.db2.gz LLTDZNGEKVLWHH-UHFFFAOYSA-N 1 2 338.430 3.647 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000527878431 1031408305 /nfs/dbraw/zinc/40/83/05/1031408305.db2.gz BLMNNAXYZCJABM-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1CCc1ccccc1 ZINC000483977179 1031413000 /nfs/dbraw/zinc/41/30/00/1031413000.db2.gz PLHBWYXLHZINHU-UHFFFAOYSA-N 1 2 345.446 3.709 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c(F)c1 ZINC000483992011 1031423761 /nfs/dbraw/zinc/42/37/61/1031423761.db2.gz CRNDPXLFBACEJZ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(C)ccc3C2)c(F)c1 ZINC000483992011 1031423769 /nfs/dbraw/zinc/42/37/69/1031423769.db2.gz CRNDPXLFBACEJZ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569285 1031429113 /nfs/dbraw/zinc/42/91/13/1031429113.db2.gz BXOLIHJXBGBYHR-RISCZKNCSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569285 1031429116 /nfs/dbraw/zinc/42/91/16/1031429116.db2.gz BXOLIHJXBGBYHR-RISCZKNCSA-N 1 2 346.780 3.720 20 0 EHADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176443638 1031439612 /nfs/dbraw/zinc/43/96/12/1031439612.db2.gz FIZGENWAILDXFG-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176443638 1031439621 /nfs/dbraw/zinc/43/96/21/1031439621.db2.gz FIZGENWAILDXFG-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)c1C ZINC000551560592 1031456922 /nfs/dbraw/zinc/45/69/22/1031456922.db2.gz RTZKOLGVZHKJIY-UHFFFAOYSA-N 1 2 338.499 3.713 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(C1CC1)C1CCCCC1 ZINC000635411689 1031470127 /nfs/dbraw/zinc/47/01/27/1031470127.db2.gz PNOPVEOTGOFFMT-CQSZACIVSA-N 1 2 329.366 3.700 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cc(F)c(Br)cc1F ZINC000527953732 1031487017 /nfs/dbraw/zinc/48/70/17/1031487017.db2.gz YALOIHOSYDZZRV-BDAKNGLRSA-N 1 2 342.187 3.929 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000151501303 1031499637 /nfs/dbraw/zinc/49/96/37/1031499637.db2.gz LEWAKRKCYXIGOM-CRAIPNDOSA-N 1 2 343.446 3.878 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347418132 1031507106 /nfs/dbraw/zinc/50/71/06/1031507106.db2.gz AUTDHAYMBUFDIN-MSOLQXFVSA-N 1 2 325.456 3.566 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000343590437 1031523642 /nfs/dbraw/zinc/52/36/42/1031523642.db2.gz PYVYBKUMBIQZCS-IBGZPJMESA-N 1 2 344.405 3.807 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000343590437 1031523644 /nfs/dbraw/zinc/52/36/44/1031523644.db2.gz PYVYBKUMBIQZCS-IBGZPJMESA-N 1 2 344.405 3.807 20 0 EHADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(-c2ccncc2)ccc1OC ZINC000343596822 1031568662 /nfs/dbraw/zinc/56/86/62/1031568662.db2.gz DJJFLASDJPICOC-OAHLLOKOSA-N 1 2 342.439 3.531 20 0 EHADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(-c2ccncc2)ccc1OC ZINC000343596822 1031568670 /nfs/dbraw/zinc/56/86/70/1031568670.db2.gz DJJFLASDJPICOC-OAHLLOKOSA-N 1 2 342.439 3.531 20 0 EHADLO CC(C)CCOc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000060408387 1031576682 /nfs/dbraw/zinc/57/66/82/1031576682.db2.gz WLRLIXVITLGPSA-UHFFFAOYSA-N 1 2 329.444 3.518 20 0 EHADLO CNC(=O)c1cccc(CSCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000177850344 1031625835 /nfs/dbraw/zinc/62/58/35/1031625835.db2.gz GTINUCYIZATJAC-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO Cc1ccc(C)n1C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635455590 1031633810 /nfs/dbraw/zinc/63/38/10/1031633810.db2.gz FTQTWEVXXKDSBJ-IBGZPJMESA-N 1 2 342.487 3.752 20 0 EHADLO OC[C@]1(Cc2ccc(F)cc2)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528021769 1031639172 /nfs/dbraw/zinc/63/91/72/1031639172.db2.gz GYQACEWDBQSAKE-NRFANRHFSA-N 1 2 336.410 3.805 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2nccn21)c1nc(C(F)(F)F)cs1 ZINC000278614737 1031654695 /nfs/dbraw/zinc/65/46/95/1031654695.db2.gz DDMNVXWCVVGMNY-SECBINFHSA-N 1 2 326.347 3.660 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)s3)n2)C1 ZINC000667017090 1031697086 /nfs/dbraw/zinc/69/70/86/1031697086.db2.gz HSLPDKDRIFYVBD-SNVBAGLBSA-N 1 2 339.461 3.828 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)s3)n2)C1 ZINC000667017090 1031697096 /nfs/dbraw/zinc/69/70/96/1031697096.db2.gz HSLPDKDRIFYVBD-SNVBAGLBSA-N 1 2 339.461 3.828 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)s3)n2)C1 ZINC000667017089 1031697214 /nfs/dbraw/zinc/69/72/14/1031697214.db2.gz HSLPDKDRIFYVBD-JTQLQIEISA-N 1 2 339.461 3.828 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)s3)n2)C1 ZINC000667017089 1031697225 /nfs/dbraw/zinc/69/72/25/1031697225.db2.gz HSLPDKDRIFYVBD-JTQLQIEISA-N 1 2 339.461 3.828 20 0 EHADLO CN(CCC1CCCCC1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635471319 1031712523 /nfs/dbraw/zinc/71/25/23/1031712523.db2.gz UBYJNWQJZHXJDT-CQSZACIVSA-N 1 2 331.382 3.805 20 0 EHADLO CO[C@@H](Cc1ccccc1)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000584095267 1031728038 /nfs/dbraw/zinc/72/80/38/1031728038.db2.gz JKVROAGXQMRLKK-KRWDZBQOSA-N 1 2 348.406 3.547 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168650 1031745794 /nfs/dbraw/zinc/74/57/94/1031745794.db2.gz CRMBODUAKQWINV-DTWKUNHWSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168650 1031745808 /nfs/dbraw/zinc/74/58/08/1031745808.db2.gz CRMBODUAKQWINV-DTWKUNHWSA-N 1 2 333.297 3.655 20 0 EHADLO CCOc1cccc(C[N@H+](C)[C@]2(c3ccccc3)CCCCC2=O)n1 ZINC000477654377 1031759624 /nfs/dbraw/zinc/75/96/24/1031759624.db2.gz OFDSDNJYSLRHRW-NRFANRHFSA-N 1 2 338.451 3.951 20 0 EHADLO CCOc1cccc(C[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)n1 ZINC000477654377 1031759642 /nfs/dbraw/zinc/75/96/42/1031759642.db2.gz OFDSDNJYSLRHRW-NRFANRHFSA-N 1 2 338.451 3.951 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000528138040 1031762205 /nfs/dbraw/zinc/76/22/05/1031762205.db2.gz GUITUWFYFMLQIL-UKRRQHHQSA-N 1 2 339.505 3.519 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000528138040 1031762212 /nfs/dbraw/zinc/76/22/12/1031762212.db2.gz GUITUWFYFMLQIL-UKRRQHHQSA-N 1 2 339.505 3.519 20 0 EHADLO CSc1ccccc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000194944588 1031777523 /nfs/dbraw/zinc/77/75/23/1031777523.db2.gz YBOFHTKOIAKLRV-CQSZACIVSA-N 1 2 329.469 3.813 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000179530655 1031783973 /nfs/dbraw/zinc/78/39/73/1031783973.db2.gz MXHSCWOJKNAWME-UHFFFAOYSA-N 1 2 346.434 3.593 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000179530655 1031783985 /nfs/dbraw/zinc/78/39/85/1031783985.db2.gz MXHSCWOJKNAWME-UHFFFAOYSA-N 1 2 346.434 3.593 20 0 EHADLO CCO[C@@H](c1noc([C@@H](c2ccccc2)[NH+](C)C)n1)C1CCCC1 ZINC000904142891 1031789797 /nfs/dbraw/zinc/78/97/97/1031789797.db2.gz GBEQCLKKFLUVKV-IAGOWNOFSA-N 1 2 329.444 3.988 20 0 EHADLO Cc1scc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C ZINC000179827668 1031812883 /nfs/dbraw/zinc/81/28/83/1031812883.db2.gz CKCJONLOLQNBNC-UHFFFAOYSA-N 1 2 341.436 3.893 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1c[nH]cn1)OCCO3 ZINC000179883178 1031817160 /nfs/dbraw/zinc/81/71/60/1031817160.db2.gz VJYVOVQQONJNDP-CQSZACIVSA-N 1 2 339.439 3.570 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1c[nH]cn1)OCCO3 ZINC000179883178 1031817176 /nfs/dbraw/zinc/81/71/76/1031817176.db2.gz VJYVOVQQONJNDP-CQSZACIVSA-N 1 2 339.439 3.570 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)s1 ZINC000086235593 1031820667 /nfs/dbraw/zinc/82/06/67/1031820667.db2.gz KPVXMIPHVYILNI-ZDUSSCGKSA-N 1 2 332.469 3.745 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)s1 ZINC000086235593 1031820689 /nfs/dbraw/zinc/82/06/89/1031820689.db2.gz KPVXMIPHVYILNI-ZDUSSCGKSA-N 1 2 332.469 3.745 20 0 EHADLO CC[C@H](CCc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528165830 1031825344 /nfs/dbraw/zinc/82/53/44/1031825344.db2.gz SEWYFYJXHKKAPA-GOSISDBHSA-N 1 2 340.471 3.710 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)c1 ZINC000448905798 1031864566 /nfs/dbraw/zinc/86/45/66/1031864566.db2.gz CRACIFIUKPIBKA-UTKZUKDTSA-N 1 2 342.483 3.647 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 ZINC000904258287 1031905092 /nfs/dbraw/zinc/90/50/92/1031905092.db2.gz KRBPZAMQUSWOGY-UHFFFAOYSA-N 1 2 345.790 3.525 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000180987544 1031932653 /nfs/dbraw/zinc/93/26/53/1031932653.db2.gz YIKMDFCRRMCXRQ-WAVCKPEOSA-N 1 2 344.484 3.612 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1ccccc1F ZINC000460678639 1031955025 /nfs/dbraw/zinc/95/50/25/1031955025.db2.gz YZFSPONYVCJIAQ-UHFFFAOYSA-N 1 2 335.386 3.619 20 0 EHADLO Nc1ccc(C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000904341818 1031962460 /nfs/dbraw/zinc/96/24/60/1031962460.db2.gz WLJUFHDEHCPWPM-HNNXBMFYSA-N 1 2 336.361 3.805 20 0 EHADLO Nc1ccc(C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000904341818 1031962578 /nfs/dbraw/zinc/96/25/78/1031962578.db2.gz WLJUFHDEHCPWPM-HNNXBMFYSA-N 1 2 336.361 3.805 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000151726445 1031968064 /nfs/dbraw/zinc/96/80/64/1031968064.db2.gz JWPDAWHUBJQWLQ-HNNXBMFYSA-N 1 2 339.483 3.795 20 0 EHADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(O)c3)n2)ccc1F ZINC000181492078 1031998293 /nfs/dbraw/zinc/99/82/93/1031998293.db2.gz WLFLMIPOPWYQOE-LBPRGKRZSA-N 1 2 327.359 3.741 20 0 EHADLO Cc1nc2cc(-c3nc(Cc4cn5cccc(C)c5[nH+]4)no3)ccc2o1 ZINC000685278397 1032016018 /nfs/dbraw/zinc/01/60/18/1032016018.db2.gz ZLNVIAJQFRAJDI-UHFFFAOYSA-N 1 2 345.362 3.733 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CC1CCC(F)(F)CC1)c1cccs1 ZINC000459403604 1032045024 /nfs/dbraw/zinc/04/50/24/1032045024.db2.gz HTTDCPFPKBVUED-CQSZACIVSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1)c1cccs1 ZINC000459403604 1032045037 /nfs/dbraw/zinc/04/50/37/1032045037.db2.gz HTTDCPFPKBVUED-CQSZACIVSA-N 1 2 343.439 3.847 20 0 EHADLO c1nc(C2CCCC2)sc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000182055347 1032054915 /nfs/dbraw/zinc/05/49/15/1032054915.db2.gz FKYGYWJNJXPAPS-UHFFFAOYSA-N 1 2 342.512 3.514 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000173426426 1033304328 /nfs/dbraw/zinc/30/43/28/1033304328.db2.gz UXVQWAKOXUDWCG-SFHVURJKSA-N 1 2 345.516 3.521 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000173426426 1033304345 /nfs/dbraw/zinc/30/43/45/1033304345.db2.gz UXVQWAKOXUDWCG-SFHVURJKSA-N 1 2 345.516 3.521 20 0 EHADLO Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3ncccc3O)n2)c1 ZINC000685418747 1033309565 /nfs/dbraw/zinc/30/95/65/1033309565.db2.gz FVXQCTOZRXRXAH-SFHVURJKSA-N 1 2 334.423 3.823 20 0 EHADLO Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3ncccc3O)n2)c1 ZINC000685418747 1033309575 /nfs/dbraw/zinc/30/95/75/1033309575.db2.gz FVXQCTOZRXRXAH-SFHVURJKSA-N 1 2 334.423 3.823 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603089884 1033354748 /nfs/dbraw/zinc/35/47/48/1033354748.db2.gz SQTGKJISKLKPRD-MRXNPFEDSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@@H]([NH2+]Cc1occc1Br)c1cnn(CC2CCC2)c1 ZINC000898180064 1033380734 /nfs/dbraw/zinc/38/07/34/1033380734.db2.gz SIEXZVHBJGHKBP-LLVKDONJSA-N 1 2 338.249 3.890 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000171756156 1033412811 /nfs/dbraw/zinc/41/28/11/1033412811.db2.gz KMUGUKVTVLQUFZ-UHFFFAOYSA-N 1 2 334.423 3.743 20 0 EHADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608083076 1033465328 /nfs/dbraw/zinc/46/53/28/1033465328.db2.gz OJUBKZRSRJRGMI-QGZVFWFLSA-N 1 2 337.402 3.629 20 0 EHADLO C[C@H](CC1CCCC1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616932 1033467382 /nfs/dbraw/zinc/46/73/82/1033467382.db2.gz XXNKAQSTNNBVIZ-QAPCUYQASA-N 1 2 332.488 3.893 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000173661858 1033470524 /nfs/dbraw/zinc/47/05/24/1033470524.db2.gz GDQMKSRSGGBHQH-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000173661858 1033470532 /nfs/dbraw/zinc/47/05/32/1033470532.db2.gz GDQMKSRSGGBHQH-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000173661846 1033470722 /nfs/dbraw/zinc/47/07/22/1033470722.db2.gz GDQMKSRSGGBHQH-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000173661846 1033470726 /nfs/dbraw/zinc/47/07/26/1033470726.db2.gz GDQMKSRSGGBHQH-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000594613250 1033478351 /nfs/dbraw/zinc/47/83/51/1033478351.db2.gz BDPCDFKERRAQFZ-KURKYZTESA-N 1 2 330.472 3.503 20 0 EHADLO Cc1cccc2[nH]c(CNc3cc(CSCCO)cc[nH+]3)cc21 ZINC000594735112 1033508195 /nfs/dbraw/zinc/50/81/95/1033508195.db2.gz KFYLEBUPYYXUDL-UHFFFAOYSA-N 1 2 327.453 3.709 20 0 EHADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc(-c2ccncc2)c1 ZINC000305840711 1033534743 /nfs/dbraw/zinc/53/47/43/1033534743.db2.gz RELZWIOIIJFOMF-MRXNPFEDSA-N 1 2 348.450 3.745 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000537516711 1033547760 /nfs/dbraw/zinc/54/77/60/1033547760.db2.gz HBLQWQVKUAIOAV-VLIAUNLRSA-N 1 2 345.389 4.000 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000537516711 1033547769 /nfs/dbraw/zinc/54/77/69/1033547769.db2.gz HBLQWQVKUAIOAV-VLIAUNLRSA-N 1 2 345.389 4.000 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001168296584 1033556438 /nfs/dbraw/zinc/55/64/38/1033556438.db2.gz WOSBQUQEIRURDT-IPMKNSEASA-N 1 2 331.456 3.570 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001168296584 1033556446 /nfs/dbraw/zinc/55/64/46/1033556446.db2.gz WOSBQUQEIRURDT-IPMKNSEASA-N 1 2 331.456 3.570 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000685590685 1033597090 /nfs/dbraw/zinc/59/70/90/1033597090.db2.gz WVHPUYPGLTZFHQ-QWRGUYRKSA-N 1 2 348.340 3.592 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000685590685 1033597102 /nfs/dbraw/zinc/59/71/02/1033597102.db2.gz WVHPUYPGLTZFHQ-QWRGUYRKSA-N 1 2 348.340 3.592 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Sc1ccccc1 ZINC000608313642 1033613867 /nfs/dbraw/zinc/61/38/67/1033613867.db2.gz FHACSGLFKKDJKW-ZDUSSCGKSA-N 1 2 326.425 3.637 20 0 EHADLO CSCC[C@H]([NH2+]Cc1ccc(SC)o1)c1nnc2ccccn21 ZINC000603424874 1033618584 /nfs/dbraw/zinc/61/85/84/1033618584.db2.gz QVFOTBMVJYSEAV-ZDUSSCGKSA-N 1 2 348.497 3.628 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCCC1CCCC1)c1ccccc1 ZINC000608396227 1033647094 /nfs/dbraw/zinc/64/70/94/1033647094.db2.gz KTNUHGDPVXWYBR-GOSISDBHSA-N 1 2 340.471 3.583 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cocn2)C(C)C)c(Br)c1 ZINC000685652563 1033676208 /nfs/dbraw/zinc/67/62/08/1033676208.db2.gz HCMCEOUDIZGNLT-OAHLLOKOSA-N 1 2 339.233 3.933 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](COC(C)C)C3)s2)cc1 ZINC000546735748 1033690447 /nfs/dbraw/zinc/69/04/47/1033690447.db2.gz TWENULCAAADEPJ-QGZVFWFLSA-N 1 2 346.496 3.744 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@@H](COC(C)C)C3)s2)cc1 ZINC000546735748 1033690453 /nfs/dbraw/zinc/69/04/53/1033690453.db2.gz TWENULCAAADEPJ-QGZVFWFLSA-N 1 2 346.496 3.744 20 0 EHADLO Nc1cc(F)c(F)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001625993888 1033698526 /nfs/dbraw/zinc/69/85/26/1033698526.db2.gz NOORAABBXIQPBV-UHFFFAOYSA-N 1 2 348.740 3.638 20 0 EHADLO Cc1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000063790391 1033700258 /nfs/dbraw/zinc/70/02/58/1033700258.db2.gz PNENQNHWJDELEU-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO CCCC[C@H](CC)COCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001168115047 1033711496 /nfs/dbraw/zinc/71/14/96/1033711496.db2.gz VWFGERDERNDXCO-INIZCTEOSA-N 1 2 347.503 3.634 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608461404 1033716942 /nfs/dbraw/zinc/71/69/42/1033716942.db2.gz WBFMUMUCOVCRBH-XYJFISCASA-N 1 2 342.487 3.828 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655768645 1033740587 /nfs/dbraw/zinc/74/05/87/1033740587.db2.gz LBZFQMXOFVAREH-ZDUSSCGKSA-N 1 2 331.288 3.805 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc2c(cc1Cl)CCC2 ZINC000529291335 1033752015 /nfs/dbraw/zinc/75/20/15/1033752015.db2.gz XIIREKWSYXZANO-UHFFFAOYSA-N 1 2 344.846 3.683 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC000575029823 1033763876 /nfs/dbraw/zinc/76/38/76/1033763876.db2.gz NGLPDIZXXNTSTM-JTQLQIEISA-N 1 2 336.304 3.621 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC000575029823 1033763889 /nfs/dbraw/zinc/76/38/89/1033763889.db2.gz NGLPDIZXXNTSTM-JTQLQIEISA-N 1 2 336.304 3.621 20 0 EHADLO Cc1ccsc1-c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000685693226 1033836774 /nfs/dbraw/zinc/83/67/74/1033836774.db2.gz PBXGASMNMAGODI-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cs1 ZINC000174288649 1033880455 /nfs/dbraw/zinc/88/04/55/1033880455.db2.gz GAFMVSNQFWGBIG-AWEZNQCLSA-N 1 2 339.505 3.537 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cs1 ZINC000174288649 1033880465 /nfs/dbraw/zinc/88/04/65/1033880465.db2.gz GAFMVSNQFWGBIG-AWEZNQCLSA-N 1 2 339.505 3.537 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NCCc1ccc(Br)cn1 ZINC001168311486 1033896227 /nfs/dbraw/zinc/89/62/27/1033896227.db2.gz XWNSBEZSCOZWFL-UHFFFAOYSA-N 1 2 336.233 3.681 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(COc3ccccc3)CC2)n1 ZINC000055081965 1033910708 /nfs/dbraw/zinc/91/07/08/1033910708.db2.gz SFABCEJDIPVEQF-UHFFFAOYSA-N 1 2 329.444 3.559 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC000599385622 1033913996 /nfs/dbraw/zinc/91/39/96/1033913996.db2.gz KLWBFLUENRENMJ-QGZVFWFLSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC000599385622 1033914004 /nfs/dbraw/zinc/91/40/04/1033914004.db2.gz KLWBFLUENRENMJ-QGZVFWFLSA-N 1 2 345.830 3.644 20 0 EHADLO O=C(CCc1ccsc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000211890615 1033943794 /nfs/dbraw/zinc/94/37/94/1033943794.db2.gz ZEMWIARJUYBUEB-DAXSKMNVSA-N 1 2 340.492 3.538 20 0 EHADLO COC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(Cl)cc1 ZINC000658119029 1033972992 /nfs/dbraw/zinc/97/29/92/1033972992.db2.gz LZKGKALSRQXNEC-INIZCTEOSA-N 1 2 335.831 3.835 20 0 EHADLO CC(C)C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)n1cc[nH+]c1 ZINC000635119624 1033975432 /nfs/dbraw/zinc/97/54/32/1033975432.db2.gz PJJOWQAVBGFOOJ-ZDUSSCGKSA-N 1 2 325.865 3.844 20 0 EHADLO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc2n(n1)CCCC2 ZINC000658123154 1033980252 /nfs/dbraw/zinc/98/02/52/1033980252.db2.gz IKRBXGYJOYCQQB-LRDDRELGSA-N 1 2 345.409 3.760 20 0 EHADLO CCCC[C@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000608991551 1033982071 /nfs/dbraw/zinc/98/20/71/1033982071.db2.gz XZNCWMDADOEFQJ-LJQANCHMSA-N 1 2 345.483 3.930 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000612094427 1034008880 /nfs/dbraw/zinc/00/88/80/1034008880.db2.gz ZVVVTZTXKRYRLG-JTQLQIEISA-N 1 2 325.334 3.729 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000612094427 1034008894 /nfs/dbraw/zinc/00/88/94/1034008894.db2.gz ZVVVTZTXKRYRLG-JTQLQIEISA-N 1 2 325.334 3.729 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000603884112 1034009217 /nfs/dbraw/zinc/00/92/17/1034009217.db2.gz QOOKNVKRTDEIPU-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)[nH+]c12 ZINC000599566763 1034016436 /nfs/dbraw/zinc/01/64/36/1034016436.db2.gz TYPKGNXGSAGMDW-UHFFFAOYSA-N 1 2 341.377 3.622 20 0 EHADLO CCC1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074869434 1034023058 /nfs/dbraw/zinc/02/30/58/1034023058.db2.gz WPDCONVBOJAVQM-SFHVURJKSA-N 1 2 340.471 3.536 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000658177968 1034043514 /nfs/dbraw/zinc/04/35/14/1034043514.db2.gz YDIZOMPPZCNISP-JTQLQIEISA-N 1 2 333.486 3.642 20 0 EHADLO O=C(c1sc2cc(F)ccc2c1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000603916805 1034045332 /nfs/dbraw/zinc/04/53/32/1034045332.db2.gz DNGADTBYAGEZRQ-UHFFFAOYSA-N 1 2 335.791 3.587 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000450285399 1034050288 /nfs/dbraw/zinc/05/02/88/1034050288.db2.gz JGMPRFDYFWXVLE-UHFFFAOYSA-N 1 2 330.453 3.732 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000450285399 1034050301 /nfs/dbraw/zinc/05/03/01/1034050301.db2.gz JGMPRFDYFWXVLE-UHFFFAOYSA-N 1 2 330.453 3.732 20 0 EHADLO C[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCCO1 ZINC000450302291 1034055017 /nfs/dbraw/zinc/05/50/17/1034055017.db2.gz HITWIZWLQMCOTJ-SNVBAGLBSA-N 1 2 339.208 3.752 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000056874024 1034056264 /nfs/dbraw/zinc/05/62/64/1034056264.db2.gz AQLXJIAFTBMJLL-SFHVURJKSA-N 1 2 338.455 3.739 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000603944782 1034063729 /nfs/dbraw/zinc/06/37/29/1034063729.db2.gz UXLXSDLRAGHCMN-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000603944782 1034063745 /nfs/dbraw/zinc/06/37/45/1034063745.db2.gz UXLXSDLRAGHCMN-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895399 1034075032 /nfs/dbraw/zinc/07/50/32/1034075032.db2.gz CJBHWIYPQXKMDM-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2csc3ccccc23)C1 ZINC000537611476 1034083454 /nfs/dbraw/zinc/08/34/54/1034083454.db2.gz KYDSTSLCOCTRGK-GFCCVEGCSA-N 1 2 326.425 3.656 20 0 EHADLO Cn1cc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c2ccccc21 ZINC000658214528 1034098163 /nfs/dbraw/zinc/09/81/63/1034098163.db2.gz ZNHYVPBURABIAM-LJQANCHMSA-N 1 2 337.471 3.750 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ncc(Br)s1 ZINC000658235417 1034103262 /nfs/dbraw/zinc/10/32/62/1034103262.db2.gz DEIPFWAVMMAJEQ-UFBFGSQYSA-N 1 2 339.258 3.949 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)nnn1-c1ccccc1 ZINC000658237153 1034103347 /nfs/dbraw/zinc/10/33/47/1034103347.db2.gz BYUSIWYPLSJKIU-YJYMSZOUSA-N 1 2 334.423 3.619 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000599712824 1034120395 /nfs/dbraw/zinc/12/03/95/1034120395.db2.gz XKKGTJLLWRKORT-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000599712824 1034120404 /nfs/dbraw/zinc/12/04/04/1034120404.db2.gz XKKGTJLLWRKORT-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)n(C(C)(C)C)n1 ZINC000119244269 1034120924 /nfs/dbraw/zinc/12/09/24/1034120924.db2.gz XGPWJYPTQRQIGT-CQSZACIVSA-N 1 2 344.459 3.704 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)n(C(C)(C)C)n1 ZINC000119244269 1034120936 /nfs/dbraw/zinc/12/09/36/1034120936.db2.gz XGPWJYPTQRQIGT-CQSZACIVSA-N 1 2 344.459 3.704 20 0 EHADLO Fc1ccc([C@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2nnc[nH]2)cc1 ZINC000658265429 1034127617 /nfs/dbraw/zinc/12/76/17/1034127617.db2.gz NGPBMECWOSVUJG-BBBYJDLNSA-N 1 2 336.361 3.591 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596278266 1034139733 /nfs/dbraw/zinc/13/97/33/1034139733.db2.gz NZRRUUHVAPSZPR-ZIAGYGMSSA-N 1 2 341.455 3.621 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2ccccc2)CC(C)(C)C)n1 ZINC000450354933 1034189414 /nfs/dbraw/zinc/18/94/14/1034189414.db2.gz OTXITMIRIHAUPP-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2ccccc2)CC(C)(C)C)n1 ZINC000450354933 1034189419 /nfs/dbraw/zinc/18/94/19/1034189419.db2.gz OTXITMIRIHAUPP-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529555840 1034196125 /nfs/dbraw/zinc/19/61/25/1034196125.db2.gz HTXJCDTYFYJKGE-JQWIXIFHSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529555840 1034196131 /nfs/dbraw/zinc/19/61/31/1034196131.db2.gz HTXJCDTYFYJKGE-JQWIXIFHSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000450385017 1034242683 /nfs/dbraw/zinc/24/26/83/1034242683.db2.gz BVLLRXSXIPWVLS-GFCCVEGCSA-N 1 2 345.447 3.693 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000450385017 1034242705 /nfs/dbraw/zinc/24/27/05/1034242705.db2.gz BVLLRXSXIPWVLS-GFCCVEGCSA-N 1 2 345.447 3.693 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H](c2ccsc2)O1 ZINC000121042678 1034358570 /nfs/dbraw/zinc/35/85/70/1034358570.db2.gz JDILDMUWUQMWQZ-DNVCBOLYSA-N 1 2 339.464 3.896 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H](c2ccsc2)O1 ZINC000121042678 1034358578 /nfs/dbraw/zinc/35/85/78/1034358578.db2.gz JDILDMUWUQMWQZ-DNVCBOLYSA-N 1 2 339.464 3.896 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(Br)ccc1Cl)n1cc[nH+]c1 ZINC001125786494 1034361203 /nfs/dbraw/zinc/36/12/03/1034361203.db2.gz QOFLWJHSWURXTO-VIFPVBQESA-N 1 2 342.624 3.889 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](Cc2ccco2)Cc2cccs2)C1=O ZINC000192525581 1034384297 /nfs/dbraw/zinc/38/42/97/1034384297.db2.gz NWBCRGGQWWMAHH-KRWDZBQOSA-N 1 2 332.469 3.743 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](Cc2ccco2)Cc2cccs2)C1=O ZINC000192525581 1034384310 /nfs/dbraw/zinc/38/43/10/1034384310.db2.gz NWBCRGGQWWMAHH-KRWDZBQOSA-N 1 2 332.469 3.743 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2ccc(Br)c(F)c2F)o1 ZINC000529664451 1034386395 /nfs/dbraw/zinc/38/63/95/1034386395.db2.gz SGBDZNIQHRXMJJ-UHFFFAOYSA-N 1 2 331.160 3.622 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)c[nH+]1 ZINC000534325379 1034398767 /nfs/dbraw/zinc/39/87/67/1034398767.db2.gz WVBKUNWYJFOHFA-UHFFFAOYSA-N 1 2 341.308 3.600 20 0 EHADLO CC[C@H](CNC(=O)Nc1cc(C)[nH+]cc1C)Oc1ccccc1Cl ZINC000534323533 1034399512 /nfs/dbraw/zinc/39/95/12/1034399512.db2.gz REJVLGFNQKLCBN-CQSZACIVSA-N 1 2 347.846 3.753 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ncc(C)s1)CCC2 ZINC000192905430 1034407663 /nfs/dbraw/zinc/40/76/63/1034407663.db2.gz MYGIQMLUNQZBHS-LBPRGKRZSA-N 1 2 334.441 3.697 20 0 EHADLO CN(CCC1CCCCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599776 1034420803 /nfs/dbraw/zinc/42/08/03/1034420803.db2.gz DYXMEXHIJJROCU-UHFFFAOYSA-N 1 2 340.471 3.984 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000079586294 1034433800 /nfs/dbraw/zinc/43/38/00/1034433800.db2.gz IBTDHPJKTFURAW-GOSISDBHSA-N 1 2 338.455 3.528 20 0 EHADLO COCCO[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450508123 1034445392 /nfs/dbraw/zinc/44/53/92/1034445392.db2.gz XWQLLNGMEBDTFH-LBPRGKRZSA-N 1 2 338.810 3.659 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC000359375133 1034462222 /nfs/dbraw/zinc/46/22/22/1034462222.db2.gz RLZGRKFQPZBHNR-UHFFFAOYSA-N 1 2 344.777 3.836 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC000359375133 1034462227 /nfs/dbraw/zinc/46/22/27/1034462227.db2.gz RLZGRKFQPZBHNR-UHFFFAOYSA-N 1 2 344.777 3.836 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CC[N@H+](CC(F)F)C2CC2)CC1 ZINC000179554730 1034498924 /nfs/dbraw/zinc/49/89/24/1034498924.db2.gz KKYUFXUBLSZELE-UHFFFAOYSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CC[N@@H+](CC(F)F)C2CC2)CC1 ZINC000179554730 1034498931 /nfs/dbraw/zinc/49/89/31/1034498931.db2.gz KKYUFXUBLSZELE-UHFFFAOYSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000023668503 1034500333 /nfs/dbraw/zinc/50/03/33/1034500333.db2.gz CPVYHMQLMZTAAY-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000023668503 1034500343 /nfs/dbraw/zinc/50/03/43/1034500343.db2.gz CPVYHMQLMZTAAY-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO c1cc2c(ncnc2N[C@@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)s1 ZINC000450535393 1034511100 /nfs/dbraw/zinc/51/11/00/1034511100.db2.gz MSBFQPALDDEAFE-JOCQHMNTSA-N 1 2 325.441 3.922 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccccc1Cl ZINC000171614074 1034518174 /nfs/dbraw/zinc/51/81/74/1034518174.db2.gz WEXNFTDMAOATPK-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccccc1Cl ZINC000171614074 1034518185 /nfs/dbraw/zinc/51/81/85/1034518185.db2.gz WEXNFTDMAOATPK-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccn(CC(F)(F)F)n1)CCC2 ZINC000450559546 1034521790 /nfs/dbraw/zinc/52/17/90/1034521790.db2.gz KFAZARYBBKAGMM-ZDUSSCGKSA-N 1 2 344.406 3.720 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccn(CC(F)(F)F)n1)CCC2 ZINC000450559546 1034521793 /nfs/dbraw/zinc/52/17/93/1034521793.db2.gz KFAZARYBBKAGMM-ZDUSSCGKSA-N 1 2 344.406 3.720 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C(C)=O)c2)Cc2ccccc21 ZINC000450602790 1034554416 /nfs/dbraw/zinc/55/44/16/1034554416.db2.gz RUBXODDLGJVXSD-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C(C)=O)c2)Cc2ccccc21 ZINC000450602790 1034554422 /nfs/dbraw/zinc/55/44/22/1034554422.db2.gz RUBXODDLGJVXSD-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO C[C@@H]1[C@H](CO)CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000413601284 1034571404 /nfs/dbraw/zinc/57/14/04/1034571404.db2.gz ZZKVDIXYYQTHDA-YPMHNXCESA-N 1 2 335.245 3.595 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000597165296 1034573924 /nfs/dbraw/zinc/57/39/24/1034573924.db2.gz YJMNBELQMSKNQK-AWEZNQCLSA-N 1 2 343.496 3.511 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000597165296 1034573930 /nfs/dbraw/zinc/57/39/30/1034573930.db2.gz YJMNBELQMSKNQK-AWEZNQCLSA-N 1 2 343.496 3.511 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3Cc4ccccc4C(C)(C)C3)n2)c1 ZINC000450623353 1034576117 /nfs/dbraw/zinc/57/61/17/1034576117.db2.gz LQQSESPFKUDKHS-UHFFFAOYSA-N 1 2 334.423 3.733 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3Cc4ccccc4C(C)(C)C3)n2)c1 ZINC000450623353 1034576124 /nfs/dbraw/zinc/57/61/24/1034576124.db2.gz LQQSESPFKUDKHS-UHFFFAOYSA-N 1 2 334.423 3.733 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000450641554 1034607089 /nfs/dbraw/zinc/60/70/89/1034607089.db2.gz HOSDNRFRECBQFY-ZFWWWQNUSA-N 1 2 342.455 3.779 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121261495 1034607736 /nfs/dbraw/zinc/60/77/36/1034607736.db2.gz BMITXNUIYIAHHU-DNVCBOLYSA-N 1 2 340.423 3.552 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121290404 1034635840 /nfs/dbraw/zinc/63/58/40/1034635840.db2.gz LUQKRWUVXWDILY-OKZBNKHCSA-N 1 2 342.826 3.518 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544265 1034639897 /nfs/dbraw/zinc/63/98/97/1034639897.db2.gz CRAFMPFESBOAOC-QWHCGFSZSA-N 1 2 338.373 3.547 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544265 1034639910 /nfs/dbraw/zinc/63/99/10/1034639910.db2.gz CRAFMPFESBOAOC-QWHCGFSZSA-N 1 2 338.373 3.547 20 0 EHADLO CC[C@H]([NH2+]Cc1noc(-c2cncc(C)c2)n1)c1ccc(OC)cc1 ZINC000450665179 1034663478 /nfs/dbraw/zinc/66/34/78/1034663478.db2.gz WCULHIWGUUAJFM-KRWDZBQOSA-N 1 2 338.411 3.690 20 0 EHADLO CC[C@@H]([NH2+]Cc1noc(-c2cncc(C)c2)n1)c1ccc(OC)cc1 ZINC000450665180 1034664200 /nfs/dbraw/zinc/66/42/00/1034664200.db2.gz WCULHIWGUUAJFM-QGZVFWFLSA-N 1 2 338.411 3.690 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(F)cc1F ZINC000450673048 1034673760 /nfs/dbraw/zinc/67/37/60/1034673760.db2.gz NMHAGPLNBQXNCX-AWEZNQCLSA-N 1 2 333.304 3.965 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000450681835 1034679973 /nfs/dbraw/zinc/67/99/73/1034679973.db2.gz NDURUBNSTNXBAN-AWEZNQCLSA-N 1 2 331.782 3.719 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)Nc1cccc(Cl)c1 ZINC000605434212 1034732361 /nfs/dbraw/zinc/73/23/61/1034732361.db2.gz NBPVXEWHXVZPFY-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+]3CCc4c(C)cc(C)cc4C3)n2)c1 ZINC000450770548 1034768342 /nfs/dbraw/zinc/76/83/42/1034768342.db2.gz ZCZJITGOZBRCRI-UHFFFAOYSA-N 1 2 334.423 3.615 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+]3CCc4c(C)cc(C)cc4C3)n2)c1 ZINC000450770548 1034768357 /nfs/dbraw/zinc/76/83/57/1034768357.db2.gz ZCZJITGOZBRCRI-UHFFFAOYSA-N 1 2 334.423 3.615 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](OC)[C@H](C)C1 ZINC000450750851 1034769560 /nfs/dbraw/zinc/76/95/60/1034769560.db2.gz COLWMUBIVGMLTI-KDOFPFPSSA-N 1 2 342.439 3.581 20 0 EHADLO Cc1nc(-c2ccc(C(=O)Nc3cc(N(C)C)cc[nH+]3)cc2)cs1 ZINC000669616020 1034782350 /nfs/dbraw/zinc/78/23/50/1034782350.db2.gz ZSHXXVZNNWBIJI-UHFFFAOYSA-N 1 2 338.436 3.832 20 0 EHADLO Fc1cccn2cc(C[N@@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)nc12 ZINC000646274989 1034785592 /nfs/dbraw/zinc/78/55/92/1034785592.db2.gz QDMLEKIOVCUURV-MRXNPFEDSA-N 1 2 345.805 3.780 20 0 EHADLO Fc1cccn2cc(C[N@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)nc12 ZINC000646274989 1034785604 /nfs/dbraw/zinc/78/56/04/1034785604.db2.gz QDMLEKIOVCUURV-MRXNPFEDSA-N 1 2 345.805 3.780 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@]3(CCSC3)C2)c1 ZINC000456861002 1034793135 /nfs/dbraw/zinc/79/31/35/1034793135.db2.gz FTDQLRBWHXGSMC-LJQANCHMSA-N 1 2 341.480 3.540 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)C1CC(O)C1 ZINC000761224385 1034794824 /nfs/dbraw/zinc/79/48/24/1034794824.db2.gz YWVFFKUIXPOLIE-UHFFFAOYSA-N 1 2 333.863 3.604 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)C1CC(O)C1 ZINC000761224385 1034794834 /nfs/dbraw/zinc/79/48/34/1034794834.db2.gz YWVFFKUIXPOLIE-UHFFFAOYSA-N 1 2 333.863 3.604 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(C4CCOCC4)c3)[nH+]c12 ZINC000529939289 1034797706 /nfs/dbraw/zinc/79/77/06/1034797706.db2.gz SFQWZSSRSHBKSR-UHFFFAOYSA-N 1 2 349.434 3.718 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000529940441 1034798426 /nfs/dbraw/zinc/79/84/26/1034798426.db2.gz LBSCRYPOPFCVAI-HNNXBMFYSA-N 1 2 348.450 3.930 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000431649244 1034832508 /nfs/dbraw/zinc/83/25/08/1034832508.db2.gz UPAWQIIESNVYAT-NRFANRHFSA-N 1 2 345.446 3.668 20 0 EHADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc3c(cc1Cl)CCC3)C2 ZINC000530021275 1034900244 /nfs/dbraw/zinc/90/02/44/1034900244.db2.gz ODOJENQZJXARSK-CYBMUJFWSA-N 1 2 329.831 3.604 20 0 EHADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc3c(cc1Cl)CCC3)CC2 ZINC000530021275 1034900253 /nfs/dbraw/zinc/90/02/53/1034900253.db2.gz ODOJENQZJXARSK-CYBMUJFWSA-N 1 2 329.831 3.604 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)s1)C1CCN(c2ccccc2)CC1 ZINC000450897113 1034900368 /nfs/dbraw/zinc/90/03/68/1034900368.db2.gz OVUJNMPIWWFXQK-UHFFFAOYSA-N 1 2 328.485 3.516 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)s1)C1CCN(c2ccccc2)CC1 ZINC000450897113 1034900375 /nfs/dbraw/zinc/90/03/75/1034900375.db2.gz OVUJNMPIWWFXQK-UHFFFAOYSA-N 1 2 328.485 3.516 20 0 EHADLO O[C@@H]([C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1)C(F)(F)F ZINC000450878837 1034906206 /nfs/dbraw/zinc/90/62/06/1034906206.db2.gz JJZZMPRYFKTRCV-XPTSAGLGSA-N 1 2 330.737 3.638 20 0 EHADLO O[C@@H]([C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1)C(F)(F)F ZINC000450878836 1034906748 /nfs/dbraw/zinc/90/67/48/1034906748.db2.gz JJZZMPRYFKTRCV-OTYXRUKQSA-N 1 2 330.737 3.638 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885266 1034913037 /nfs/dbraw/zinc/91/30/37/1034913037.db2.gz AWCDYPWLTRTRNE-PBHICJAKSA-N 1 2 337.389 3.899 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885266 1034913046 /nfs/dbraw/zinc/91/30/46/1034913046.db2.gz AWCDYPWLTRTRNE-PBHICJAKSA-N 1 2 337.389 3.899 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000375930825 1034946004 /nfs/dbraw/zinc/94/60/04/1034946004.db2.gz GVQOEGGPWYKHFW-KRWDZBQOSA-N 1 2 334.423 3.985 20 0 EHADLO FC(F)(F)COc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121468251 1034965419 /nfs/dbraw/zinc/96/54/19/1034965419.db2.gz DMGUHQQMKFBZRN-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121468251 1034965426 /nfs/dbraw/zinc/96/54/26/1034965426.db2.gz DMGUHQQMKFBZRN-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000375941648 1034979194 /nfs/dbraw/zinc/97/91/94/1034979194.db2.gz MAVZZDJRTBQGFF-QQABJKMWSA-N 1 2 341.499 3.733 20 0 EHADLO Clc1cccnc1C1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000375955397 1035006044 /nfs/dbraw/zinc/00/60/44/1035006044.db2.gz RJCVATYRTHQDLL-UHFFFAOYSA-N 1 2 332.860 3.824 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000612517417 1035021966 /nfs/dbraw/zinc/02/19/66/1035021966.db2.gz NAEXQRAZPXYCFU-HZPDHXFCSA-N 1 2 343.858 3.763 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000152888729 1035025559 /nfs/dbraw/zinc/02/55/59/1035025559.db2.gz AZYPNJKZUVEONK-OXQOHEQNSA-N 1 2 348.450 3.829 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000612577511 1035072323 /nfs/dbraw/zinc/07/23/23/1035072323.db2.gz AJXICDSINSHRCY-RCCFBDPRSA-N 1 2 329.488 3.875 20 0 EHADLO O=C(NCCC1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000612722633 1035184599 /nfs/dbraw/zinc/18/45/99/1035184599.db2.gz RLTSPPZOADIWOV-UHFFFAOYSA-N 1 2 335.517 3.546 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)c1 ZINC000612796155 1035227376 /nfs/dbraw/zinc/22/73/76/1035227376.db2.gz HBDAQPSIQWWFHV-LMCOJAPRSA-N 1 2 337.467 3.794 20 0 EHADLO Fc1cc(Br)cc(Cl)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218007045 1035359995 /nfs/dbraw/zinc/35/99/95/1035359995.db2.gz PFNDZCRGYIDXPL-VIFPVBQESA-N 1 2 344.558 3.618 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC000376202806 1035413442 /nfs/dbraw/zinc/41/34/42/1035413442.db2.gz FSQLCEINBRUTDP-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@H](C)c3cc4n(n3)CCC4)o2)cs1 ZINC000414059450 1035419761 /nfs/dbraw/zinc/41/97/61/1035419761.db2.gz IPTWZSBJYLEUSY-LLVKDONJSA-N 1 2 328.441 3.705 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173112128 1035521376 /nfs/dbraw/zinc/52/13/76/1035521376.db2.gz QIFOFLSLDQEDKU-JKSUJKDBSA-N 1 2 344.459 3.908 20 0 EHADLO CCCCOc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1Cl ZINC000571568100 1035558874 /nfs/dbraw/zinc/55/88/74/1035558874.db2.gz KEXOPBYMRCXZMI-AWEZNQCLSA-N 1 2 349.862 3.983 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCSC12CCCCC2 ZINC000571601907 1035562721 /nfs/dbraw/zinc/56/27/21/1035562721.db2.gz HNLABYFEEHXRNR-UHFFFAOYSA-N 1 2 341.480 3.781 20 0 EHADLO CC(C)(C)n1nnnc1C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000463517807 1035595316 /nfs/dbraw/zinc/59/53/16/1035595316.db2.gz PKMRTIJROVEKEV-UHFFFAOYSA-N 1 2 347.466 3.871 20 0 EHADLO CC(C)(C)n1nnnc1C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000463517807 1035595332 /nfs/dbraw/zinc/59/53/32/1035595332.db2.gz PKMRTIJROVEKEV-UHFFFAOYSA-N 1 2 347.466 3.871 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccc3[nH]ccc3c2)c1C ZINC000492301890 1035608241 /nfs/dbraw/zinc/60/82/41/1035608241.db2.gz WRGKHGDBHNNWNB-SOFGYWHQSA-N 1 2 349.434 3.860 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3nc(C4CC4)nn3C)c(C)c2c1 ZINC000571757911 1035621145 /nfs/dbraw/zinc/62/11/45/1035621145.db2.gz HWWSSGMJGAXPGK-LBPRGKRZSA-N 1 2 340.427 3.607 20 0 EHADLO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000186410950 1035630491 /nfs/dbraw/zinc/63/04/91/1035630491.db2.gz INUADKJMBLVEPM-UHFFFAOYSA-N 1 2 337.427 3.574 20 0 EHADLO COCCn1cc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)cn1 ZINC000414125656 1035642021 /nfs/dbraw/zinc/64/20/21/1035642021.db2.gz DOZNUQUVFMKIFX-AWEZNQCLSA-N 1 2 342.468 3.504 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cs1 ZINC000186592261 1035663484 /nfs/dbraw/zinc/66/34/84/1035663484.db2.gz BCFVARNDHGINCU-UHFFFAOYSA-N 1 2 348.487 3.975 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)[C@@H](c2ccco2)C1 ZINC000173955466 1035727248 /nfs/dbraw/zinc/72/72/48/1035727248.db2.gz CQRLDOWIEQBUOY-HZPDHXFCSA-N 1 2 342.443 3.659 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ccc(Br)s2)c(C)[nH+]1 ZINC000187143846 1035768069 /nfs/dbraw/zinc/76/80/69/1035768069.db2.gz ZSUIQOKTMJIWHW-GOSISDBHSA-N 1 2 344.299 3.971 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540910882 1035773120 /nfs/dbraw/zinc/77/31/20/1035773120.db2.gz SYEDGZZCDAWFJE-UHFFFAOYSA-N 1 2 348.450 3.956 20 0 EHADLO O=C(/C=C/c1ccc[nH]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000187165456 1035779160 /nfs/dbraw/zinc/77/91/60/1035779160.db2.gz OYGPGFYUAYEWEN-ZHACJKMWSA-N 1 2 332.407 3.866 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000669263238 1035803416 /nfs/dbraw/zinc/80/34/16/1035803416.db2.gz LGXIULBCGSPWTA-HUUCEWRRSA-N 1 2 343.402 3.623 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCc1cccc(F)c1)C2 ZINC000475783435 1035805193 /nfs/dbraw/zinc/80/51/93/1035805193.db2.gz WTRDJTWEBGGPPT-OAHLLOKOSA-N 1 2 343.446 3.526 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCc1cccc(F)c1)CC2 ZINC000475783435 1035805223 /nfs/dbraw/zinc/80/52/23/1035805223.db2.gz WTRDJTWEBGGPPT-OAHLLOKOSA-N 1 2 343.446 3.526 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCCc3ccccc3C2)nc2cc(Cl)ccc21 ZINC000535026796 1035929621 /nfs/dbraw/zinc/92/96/21/1035929621.db2.gz RMFHCIRYHIGDOZ-UHFFFAOYSA-N 1 2 339.826 3.937 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCCc3ccccc3C2)nc2cc(Cl)ccc21 ZINC000535026796 1035929635 /nfs/dbraw/zinc/92/96/35/1035929635.db2.gz RMFHCIRYHIGDOZ-UHFFFAOYSA-N 1 2 339.826 3.937 20 0 EHADLO COc1nnc(C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000929773132 1035954388 /nfs/dbraw/zinc/95/43/88/1035954388.db2.gz WYJGSEXSLIFMFK-QWRGUYRKSA-N 1 2 325.865 3.824 20 0 EHADLO COc1nnc(C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000929773132 1035954396 /nfs/dbraw/zinc/95/43/96/1035954396.db2.gz WYJGSEXSLIFMFK-QWRGUYRKSA-N 1 2 325.865 3.824 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)cc1 ZINC000492556378 1035975261 /nfs/dbraw/zinc/97/52/61/1035975261.db2.gz FNKXKYZDJJEHFH-SFHVURJKSA-N 1 2 335.806 3.931 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)cc1 ZINC000492556378 1035975273 /nfs/dbraw/zinc/97/52/73/1035975273.db2.gz FNKXKYZDJJEHFH-SFHVURJKSA-N 1 2 335.806 3.931 20 0 EHADLO COc1sc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1Br ZINC000535085248 1035979854 /nfs/dbraw/zinc/97/98/54/1035979854.db2.gz RZQGMOYNLXVPMM-DTORHVGOSA-N 1 2 336.320 3.845 20 0 EHADLO COc1sc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1Br ZINC000535085248 1035979870 /nfs/dbraw/zinc/97/98/70/1035979870.db2.gz RZQGMOYNLXVPMM-DTORHVGOSA-N 1 2 336.320 3.845 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000188940528 1036017431 /nfs/dbraw/zinc/01/74/31/1036017431.db2.gz OOIPXURSJOZBNT-AWEZNQCLSA-N 1 2 339.270 3.784 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c(F)c1 ZINC000613483439 1036027318 /nfs/dbraw/zinc/02/73/18/1036027318.db2.gz UCEIVIKBEHJPJS-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c(F)c1 ZINC000613483439 1036027331 /nfs/dbraw/zinc/02/73/31/1036027331.db2.gz UCEIVIKBEHJPJS-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO CCOCc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000892554364 1036039476 /nfs/dbraw/zinc/03/94/76/1036039476.db2.gz GURLPKAVFVDJOQ-UHFFFAOYSA-N 1 2 330.375 3.988 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000457385938 1036050560 /nfs/dbraw/zinc/05/05/60/1036050560.db2.gz MCIJCBWJZGDVMI-NVXWUHKLSA-N 1 2 346.862 3.562 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178728 1036063401 /nfs/dbraw/zinc/06/34/01/1036063401.db2.gz HBAJKZPZIYGOPP-SJLPKXTDSA-N 1 2 332.492 3.664 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)cc3c2OCC3)o1 ZINC000541201445 1036073803 /nfs/dbraw/zinc/07/38/03/1036073803.db2.gz HASYNCPCEDMLEK-INIZCTEOSA-N 1 2 335.831 3.908 20 0 EHADLO Fc1cc(Br)cnc1NCCCCNc1cccc[nH+]1 ZINC000681253246 1036105637 /nfs/dbraw/zinc/10/56/37/1036105637.db2.gz PXCVXCXFRWTGLL-UHFFFAOYSA-N 1 2 339.212 3.682 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001168170377 1036109360 /nfs/dbraw/zinc/10/93/60/1036109360.db2.gz LTHAGOPGEZOUCU-GDLCADMTSA-N 1 2 339.760 3.608 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001168170377 1036109376 /nfs/dbraw/zinc/10/93/76/1036109376.db2.gz LTHAGOPGEZOUCU-GDLCADMTSA-N 1 2 339.760 3.608 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000666198812 1036119778 /nfs/dbraw/zinc/11/97/78/1036119778.db2.gz PEMYXRDMQVAYGT-RTBURBONSA-N 1 2 337.467 3.764 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000174907070 1036162689 /nfs/dbraw/zinc/16/26/89/1036162689.db2.gz WOBXQPWHADYGMI-PKOBYXMFSA-N 1 2 343.515 3.973 20 0 EHADLO CCc1nc2c(s1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414230217 1036176117 /nfs/dbraw/zinc/17/61/17/1036176117.db2.gz AQYKSPYCXYJIPT-SECBINFHSA-N 1 2 342.390 3.682 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC000457514927 1036185557 /nfs/dbraw/zinc/18/55/57/1036185557.db2.gz GADHCVQWDQINCW-QWHCGFSZSA-N 1 2 346.368 3.619 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000457516383 1036188695 /nfs/dbraw/zinc/18/86/95/1036188695.db2.gz RIVOMWXSHYBAHA-ZDUSSCGKSA-N 1 2 347.846 3.870 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000457496152 1036196200 /nfs/dbraw/zinc/19/62/00/1036196200.db2.gz ZQEVHBFDTQBIKH-JTQLQIEISA-N 1 2 335.395 3.656 20 0 EHADLO Cc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3S(C)(=O)=O)oc2c1 ZINC000414235846 1036206788 /nfs/dbraw/zinc/20/67/88/1036206788.db2.gz HKAOMKLWEVEEJQ-AWEZNQCLSA-N 1 2 343.448 3.996 20 0 EHADLO C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175082988 1036233271 /nfs/dbraw/zinc/23/32/71/1036233271.db2.gz DWEBDXCQLZKTAI-VLIAUNLRSA-N 1 2 335.407 3.570 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535260006 1036248599 /nfs/dbraw/zinc/24/85/99/1036248599.db2.gz JTXJLNOZKFUJND-IBGZPJMESA-N 1 2 342.508 3.832 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326502 1036332757 /nfs/dbraw/zinc/33/27/57/1036332757.db2.gz QLPWNTTWOWXDRJ-MLGOLLRUSA-N 1 2 338.854 3.606 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326502 1036332778 /nfs/dbraw/zinc/33/27/78/1036332778.db2.gz QLPWNTTWOWXDRJ-MLGOLLRUSA-N 1 2 338.854 3.606 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175360368 1036349907 /nfs/dbraw/zinc/34/99/07/1036349907.db2.gz AFJPAVPGIDDRNM-IAGOWNOFSA-N 1 2 342.487 3.598 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(C(F)(F)F)cc1 ZINC000414266976 1036366121 /nfs/dbraw/zinc/36/61/21/1036366121.db2.gz MRMPFFFDSRPUAN-HNNXBMFYSA-N 1 2 349.360 3.630 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457679642 1036388882 /nfs/dbraw/zinc/38/88/82/1036388882.db2.gz VMWKMSDEUAKTRJ-HNNXBMFYSA-N 1 2 345.874 3.658 20 0 EHADLO CC(C)(C)C[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(F)cc1 ZINC000414274685 1036417467 /nfs/dbraw/zinc/41/74/67/1036417467.db2.gz VINKBFLWUYWEOA-HNNXBMFYSA-N 1 2 327.407 3.531 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000191901300 1036442604 /nfs/dbraw/zinc/44/26/04/1036442604.db2.gz QRSRKZRNIDTPEX-YWZLYKJASA-N 1 2 345.450 3.717 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000191901300 1036442611 /nfs/dbraw/zinc/44/26/11/1036442611.db2.gz QRSRKZRNIDTPEX-YWZLYKJASA-N 1 2 345.450 3.717 20 0 EHADLO CCC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000457774849 1036493609 /nfs/dbraw/zinc/49/36/09/1036493609.db2.gz JDZPEHIEAGYRCG-SFHVURJKSA-N 1 2 344.503 3.709 20 0 EHADLO CC(C)OCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192494726 1036512812 /nfs/dbraw/zinc/51/28/12/1036512812.db2.gz JYWZJSZYBADPFH-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000669334228 1036515944 /nfs/dbraw/zinc/51/59/44/1036515944.db2.gz AEZYMPAFEUNVAY-QZTJIDSGSA-N 1 2 337.467 3.791 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)co2)cc1 ZINC000541645635 1036537026 /nfs/dbraw/zinc/53/70/26/1036537026.db2.gz JXAOHARUOYICBJ-AWEZNQCLSA-N 1 2 340.427 3.978 20 0 EHADLO CC[C@@](C)([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000639927547 1036570099 /nfs/dbraw/zinc/57/00/99/1036570099.db2.gz FUGQTAVCEITTSE-OAHLLOKOSA-N 1 2 340.240 3.737 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929699548 1036610940 /nfs/dbraw/zinc/61/09/40/1036610940.db2.gz AIRGRMYOCXPZLZ-LBPRGKRZSA-N 1 2 337.876 3.655 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929699548 1036610953 /nfs/dbraw/zinc/61/09/53/1036610953.db2.gz AIRGRMYOCXPZLZ-LBPRGKRZSA-N 1 2 337.876 3.655 20 0 EHADLO Oc1ccccc1N1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000541772120 1036643754 /nfs/dbraw/zinc/64/37/54/1036643754.db2.gz WOSUXGFLIITRPF-ONEGZZNKSA-N 1 2 330.378 3.506 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)CC1CC1 ZINC000176690891 1036675973 /nfs/dbraw/zinc/67/59/73/1036675973.db2.gz LXLBMAZDVDOULK-MRXNPFEDSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193008241 1036703771 /nfs/dbraw/zinc/70/37/71/1036703771.db2.gz CEWXYKPRJCYDSR-AWEZNQCLSA-N 1 2 344.455 3.681 20 0 EHADLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193008241 1036703789 /nfs/dbraw/zinc/70/37/89/1036703789.db2.gz CEWXYKPRJCYDSR-AWEZNQCLSA-N 1 2 344.455 3.681 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000590063988 1036745898 /nfs/dbraw/zinc/74/58/98/1036745898.db2.gz FEPUPBDHFXSYOQ-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000590063988 1036745916 /nfs/dbraw/zinc/74/59/16/1036745916.db2.gz FEPUPBDHFXSYOQ-QGZVFWFLSA-N 1 2 346.377 3.749 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000590100545 1036751339 /nfs/dbraw/zinc/75/13/39/1036751339.db2.gz LEQOTSHNYGTGHN-KWEPMOPPSA-N 1 2 328.500 3.916 20 0 EHADLO Cc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c(N(C)C)[nH+]1 ZINC000162113135 1036759123 /nfs/dbraw/zinc/75/91/23/1036759123.db2.gz DEDPEUKSUSRGIB-UHFFFAOYSA-N 1 2 344.381 3.652 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000162146637 1036776050 /nfs/dbraw/zinc/77/60/50/1036776050.db2.gz DHTQKFNCNICZBH-GFCCVEGCSA-N 1 2 347.488 3.754 20 0 EHADLO Cc1ccc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)c(N(C)C)[nH+]1 ZINC000162202075 1036797518 /nfs/dbraw/zinc/79/75/18/1036797518.db2.gz QEQVSPDHRFGGLJ-ZDUSSCGKSA-N 1 2 328.416 3.807 20 0 EHADLO COc1cccnc1NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000541909475 1036798332 /nfs/dbraw/zinc/79/83/32/1036798332.db2.gz MOLWCGRNRCYBER-UHFFFAOYSA-N 1 2 349.837 3.959 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000493155269 1036799216 /nfs/dbraw/zinc/79/92/16/1036799216.db2.gz CSJMOHJEJAOWEG-HSBSLETESA-N 1 2 346.228 3.549 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](CC)Cc1cn(C)nn1 ZINC000541922216 1036823957 /nfs/dbraw/zinc/82/39/57/1036823957.db2.gz QYUCASOQWJFPKZ-UHFFFAOYSA-N 1 2 326.444 3.926 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](CC)Cc1cn(C)nn1 ZINC000541922216 1036823972 /nfs/dbraw/zinc/82/39/72/1036823972.db2.gz QYUCASOQWJFPKZ-UHFFFAOYSA-N 1 2 326.444 3.926 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)NNc2cc[nH+]cc2Cl)ccn1 ZINC000157175964 1036924022 /nfs/dbraw/zinc/92/40/22/1036924022.db2.gz UGMFOUGLLWREQZ-UHFFFAOYSA-N 1 2 336.848 3.778 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)CCc3nccs3)c2=S)c1 ZINC000157175353 1036925705 /nfs/dbraw/zinc/92/57/05/1036925705.db2.gz KVIAVKSVDBYPIM-UHFFFAOYSA-N 1 2 344.509 3.905 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)CCc3nccs3)c2=S)c1 ZINC000157175353 1036925721 /nfs/dbraw/zinc/92/57/21/1036925721.db2.gz KVIAVKSVDBYPIM-UHFFFAOYSA-N 1 2 344.509 3.905 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000177793296 1036934365 /nfs/dbraw/zinc/93/43/65/1036934365.db2.gz YUGLCMLWQRRUKZ-IBGZPJMESA-N 1 2 348.450 3.998 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000153090411 1036934559 /nfs/dbraw/zinc/93/45/59/1036934559.db2.gz ZVUHZIZLWBIBTE-AWEZNQCLSA-N 1 2 334.489 3.771 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1SC ZINC000539576546 1036939754 /nfs/dbraw/zinc/93/97/54/1036939754.db2.gz FQBQBSWRMJWPIQ-GOSISDBHSA-N 1 2 343.492 3.861 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1SC ZINC000539576546 1036939771 /nfs/dbraw/zinc/93/97/71/1036939771.db2.gz FQBQBSWRMJWPIQ-GOSISDBHSA-N 1 2 343.492 3.861 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)n1 ZINC000590599989 1036963810 /nfs/dbraw/zinc/96/38/10/1036963810.db2.gz IPAYVIJJIFVQAC-KGLIPLIRSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccccn3)C2)n1 ZINC000590599989 1036963825 /nfs/dbraw/zinc/96/38/25/1036963825.db2.gz IPAYVIJJIFVQAC-KGLIPLIRSA-N 1 2 332.473 3.658 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177949838 1036972780 /nfs/dbraw/zinc/97/27/80/1036972780.db2.gz BFSMDKUJJDHNKK-SFHVURJKSA-N 1 2 336.439 3.545 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000539601304 1036983339 /nfs/dbraw/zinc/98/33/39/1036983339.db2.gz YVMRNFNXWVAHNF-GFCCVEGCSA-N 1 2 335.810 3.884 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)[C@H]1C ZINC000508879341 1036993933 /nfs/dbraw/zinc/99/39/33/1036993933.db2.gz PASLQYPMMJWRJJ-DYEKYZERSA-N 1 2 328.909 3.774 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)[C@H]1C ZINC000508879341 1036993943 /nfs/dbraw/zinc/99/39/43/1036993943.db2.gz PASLQYPMMJWRJJ-DYEKYZERSA-N 1 2 328.909 3.774 20 0 EHADLO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235596623 1036998972 /nfs/dbraw/zinc/99/89/72/1036998972.db2.gz PKGJWAGGEUSJLS-IONNQARKSA-N 1 2 349.066 3.663 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590725865 1037004215 /nfs/dbraw/zinc/00/42/15/1037004215.db2.gz YQOIBOMUNICOKM-MOPGFXCFSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000590727970 1037008418 /nfs/dbraw/zinc/00/84/18/1037008418.db2.gz BHVYNIMBXSVMRB-GOSISDBHSA-N 1 2 341.430 3.698 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728176 1037008943 /nfs/dbraw/zinc/00/89/43/1037008943.db2.gz RQHAAHSPQICCII-MRXNPFEDSA-N 1 2 347.846 3.559 20 0 EHADLO Cc1cccc2c1CN(C(=O)[C@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000376464167 1037019375 /nfs/dbraw/zinc/01/93/75/1037019375.db2.gz PHZAMNUBUKEGRR-INIZCTEOSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1cccc2c1CN(C(=O)[C@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000376464167 1037019395 /nfs/dbraw/zinc/01/93/95/1037019395.db2.gz PHZAMNUBUKEGRR-INIZCTEOSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(C(C)C)n3)[nH+]c12 ZINC000176508129 1037023168 /nfs/dbraw/zinc/02/31/68/1037023168.db2.gz LHUZMJYCKCVCIG-JOCHJYFZSA-N 1 2 333.482 3.672 20 0 EHADLO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2cccnc2)c2ccccc2)c1 ZINC000007224786 1037029700 /nfs/dbraw/zinc/02/97/00/1037029700.db2.gz NXUKPUKVWHHHOV-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc(C)o1 ZINC000414367687 1037032339 /nfs/dbraw/zinc/03/23/39/1037032339.db2.gz SBXJCZPFJIXHMD-SFHVURJKSA-N 1 2 343.402 3.699 20 0 EHADLO Cc1cc(OCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C(C)C ZINC000590735006 1037037191 /nfs/dbraw/zinc/03/71/91/1037037191.db2.gz ZWTWJNCROFHWDJ-QGZVFWFLSA-N 1 2 341.455 3.557 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000053139633 1037047271 /nfs/dbraw/zinc/04/72/71/1037047271.db2.gz OGWLJDXJVTYKDX-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000053139633 1037047288 /nfs/dbraw/zinc/04/72/88/1037047288.db2.gz OGWLJDXJVTYKDX-UHFFFAOYSA-N 1 2 340.423 3.866 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1C1CC1)c1cc(Cl)ccc1Cl ZINC000590789906 1037059944 /nfs/dbraw/zinc/05/99/44/1037059944.db2.gz ZIOZWWXSQYTXBE-CQSZACIVSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1C1CC1)c1cc(Cl)ccc1Cl ZINC000590789906 1037059961 /nfs/dbraw/zinc/05/99/61/1037059961.db2.gz ZIOZWWXSQYTXBE-CQSZACIVSA-N 1 2 348.295 3.642 20 0 EHADLO O=C(C[C@H](c1ccccc1)C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000590808597 1037071040 /nfs/dbraw/zinc/07/10/40/1037071040.db2.gz DXACBICBJJVEAC-OAHLLOKOSA-N 1 2 339.361 3.516 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccccc1F ZINC000761508940 1037078754 /nfs/dbraw/zinc/07/87/54/1037078754.db2.gz WXYQBKAKKUUJTP-UHFFFAOYSA-N 1 2 334.464 3.694 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590845501 1037080227 /nfs/dbraw/zinc/08/02/27/1037080227.db2.gz WYQBLIBROQFJGI-IBGZPJMESA-N 1 2 340.471 3.596 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@H](C)c1ccccc1 ZINC000761508152 1037080463 /nfs/dbraw/zinc/08/04/63/1037080463.db2.gz SBSCJRDWTAUNGW-MRXNPFEDSA-N 1 2 344.528 3.793 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccccc1C ZINC000761508024 1037080957 /nfs/dbraw/zinc/08/09/57/1037080957.db2.gz QKPYKAVNIVLXRE-UHFFFAOYSA-N 1 2 330.501 3.863 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677528 1037082112 /nfs/dbraw/zinc/08/21/12/1037082112.db2.gz KJRPGEYSGLLMBI-VXGBXAGGSA-N 1 2 342.361 3.883 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677528 1037082129 /nfs/dbraw/zinc/08/21/29/1037082129.db2.gz KJRPGEYSGLLMBI-VXGBXAGGSA-N 1 2 342.361 3.883 20 0 EHADLO C[N@@H+]1CCc2ncnc(N[C@H](c3cccc(F)c3)C3CCCC3)c2C1 ZINC000465051661 1037089781 /nfs/dbraw/zinc/08/97/81/1037089781.db2.gz SOFMVOYQOOQXIN-IBGZPJMESA-N 1 2 340.446 3.947 20 0 EHADLO C[N@H+]1CCc2ncnc(N[C@H](c3cccc(F)c3)C3CCCC3)c2C1 ZINC000465051661 1037089800 /nfs/dbraw/zinc/08/98/00/1037089800.db2.gz SOFMVOYQOOQXIN-IBGZPJMESA-N 1 2 340.446 3.947 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000105132782 1037164669 /nfs/dbraw/zinc/16/46/69/1037164669.db2.gz VJWDCCRMMRINLP-CQSZACIVSA-N 1 2 340.895 3.814 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000105132782 1037164675 /nfs/dbraw/zinc/16/46/75/1037164675.db2.gz VJWDCCRMMRINLP-CQSZACIVSA-N 1 2 340.895 3.814 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000351265197 1037171825 /nfs/dbraw/zinc/17/18/25/1037171825.db2.gz WYKPBABLDDVSST-OAHLLOKOSA-N 1 2 340.471 3.521 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000493290326 1037224597 /nfs/dbraw/zinc/22/45/97/1037224597.db2.gz PRAOMVVLSYSOAC-CMDGGOBGSA-N 1 2 331.366 3.673 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(Oc2ccccc2)cc1 ZINC000462658675 1037229567 /nfs/dbraw/zinc/22/95/67/1037229567.db2.gz PILJUCRTOFVNSW-GUYCJALGSA-N 1 2 346.377 3.653 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(Oc2ccccc2)cc1 ZINC000462658673 1037229821 /nfs/dbraw/zinc/22/98/21/1037229821.db2.gz PILJUCRTOFVNSW-CXAGYDPISA-N 1 2 346.377 3.653 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)[C@H](C)C2 ZINC000539813220 1037230627 /nfs/dbraw/zinc/23/06/27/1037230627.db2.gz ALLGZCBNXNLNHZ-YJYMSZOUSA-N 1 2 336.414 3.942 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)[C@H](C)C2 ZINC000539813220 1037230646 /nfs/dbraw/zinc/23/06/46/1037230646.db2.gz ALLGZCBNXNLNHZ-YJYMSZOUSA-N 1 2 336.414 3.942 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCO[C@H](C)CC(C)C)c1C ZINC000087219590 1037233107 /nfs/dbraw/zinc/23/31/07/1037233107.db2.gz JDBQFDBIHVNVTH-OAHLLOKOSA-N 1 2 336.476 3.507 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187239230 1037264125 /nfs/dbraw/zinc/26/41/25/1037264125.db2.gz RFUZQTBHUAPFNE-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187239230 1037264140 /nfs/dbraw/zinc/26/41/40/1037264140.db2.gz RFUZQTBHUAPFNE-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360295537 1037274586 /nfs/dbraw/zinc/27/45/86/1037274586.db2.gz GIANRGIRLNVCTJ-INIZCTEOSA-N 1 2 334.851 3.612 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760814511 1037274823 /nfs/dbraw/zinc/27/48/23/1037274823.db2.gz DCNQUNPGOHSKLO-LJQANCHMSA-N 1 2 344.405 3.588 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760814511 1037274838 /nfs/dbraw/zinc/27/48/38/1037274838.db2.gz DCNQUNPGOHSKLO-LJQANCHMSA-N 1 2 344.405 3.588 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000414394444 1037310211 /nfs/dbraw/zinc/31/02/11/1037310211.db2.gz IMNBNFMKBSQOTP-LPHOPBHVSA-N 1 2 325.456 3.618 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000414394444 1037310232 /nfs/dbraw/zinc/31/02/32/1037310232.db2.gz IMNBNFMKBSQOTP-LPHOPBHVSA-N 1 2 325.456 3.618 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(F)c1Cl ZINC000376507642 1037331855 /nfs/dbraw/zinc/33/18/55/1037331855.db2.gz XAHVLYAKSGNCDT-GFCCVEGCSA-N 1 2 335.810 3.541 20 0 EHADLO Cc1cc(CNC(=O)/C=C\c2cnc(C(C)(C)C)s2)cc(C)[nH+]1 ZINC000493427816 1037355191 /nfs/dbraw/zinc/35/51/91/1037355191.db2.gz VXQPGSSCGGRSAN-SREVYHEPSA-N 1 2 329.469 3.782 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1c(F)cccc1F ZINC000493427489 1037355460 /nfs/dbraw/zinc/35/54/60/1037355460.db2.gz VUOUMWQRUHTONR-KTKRTIGZSA-N 1 2 347.409 3.676 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401175 1037371596 /nfs/dbraw/zinc/37/15/96/1037371596.db2.gz VSIWMVOZXCKLIG-BBRMVZONSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401175 1037371614 /nfs/dbraw/zinc/37/16/14/1037371614.db2.gz VSIWMVOZXCKLIG-BBRMVZONSA-N 1 2 335.494 3.530 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301470520 1037383516 /nfs/dbraw/zinc/38/35/16/1037383516.db2.gz OSPFYHXPPOJPMV-GXTWGEPZSA-N 1 2 325.441 3.512 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000376515123 1037384289 /nfs/dbraw/zinc/38/42/89/1037384289.db2.gz NQNIGHXRPKPQSX-DZGCQCFKSA-N 1 2 346.272 3.865 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000376515123 1037384305 /nfs/dbraw/zinc/38/43/05/1037384305.db2.gz NQNIGHXRPKPQSX-DZGCQCFKSA-N 1 2 346.272 3.865 20 0 EHADLO COc1ccc(C[N@H+](CN2C(=O)C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000054441475 1037393056 /nfs/dbraw/zinc/39/30/56/1037393056.db2.gz FWXNQVIFHDAFCN-HXUWFJFHSA-N 1 2 336.435 3.591 20 0 EHADLO COc1ccc(C[N@@H+](CN2C(=O)C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000054441475 1037393071 /nfs/dbraw/zinc/39/30/71/1037393071.db2.gz FWXNQVIFHDAFCN-HXUWFJFHSA-N 1 2 336.435 3.591 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591457713 1037416223 /nfs/dbraw/zinc/41/62/23/1037416223.db2.gz GXMHNOKAHUZJQZ-GOSISDBHSA-N 1 2 341.455 3.555 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](Cc3nc(C4CCCCC4)no3)C2)cc1 ZINC000669407315 1037419234 /nfs/dbraw/zinc/41/92/34/1037419234.db2.gz JKENZKFIFRSICT-SFHVURJKSA-N 1 2 341.455 3.561 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](Cc3nc(C4CCCCC4)no3)C2)cc1 ZINC000669407315 1037419244 /nfs/dbraw/zinc/41/92/44/1037419244.db2.gz JKENZKFIFRSICT-SFHVURJKSA-N 1 2 341.455 3.561 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2ncc(C)o2)ccc1OC(F)F ZINC000540012032 1037464097 /nfs/dbraw/zinc/46/40/97/1037464097.db2.gz HLPXIMUYFWBTGY-NSHDSACASA-N 1 2 326.343 3.786 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2ncc(C)o2)ccc1OC(F)F ZINC000540012032 1037464105 /nfs/dbraw/zinc/46/41/05/1037464105.db2.gz HLPXIMUYFWBTGY-NSHDSACASA-N 1 2 326.343 3.786 20 0 EHADLO CCCC[C@H](CC)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431832261 1037513545 /nfs/dbraw/zinc/51/35/45/1037513545.db2.gz OYLIJTZEUURVIS-INIZCTEOSA-N 1 2 348.491 3.565 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007613798 1037518543 /nfs/dbraw/zinc/51/85/43/1037518543.db2.gz BKVDRPFKJUZDFY-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007613798 1037518556 /nfs/dbraw/zinc/51/85/56/1037518556.db2.gz BKVDRPFKJUZDFY-CYBMUJFWSA-N 1 2 330.453 3.800 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(F)c(F)c1 ZINC000532492936 1037539893 /nfs/dbraw/zinc/53/98/93/1037539893.db2.gz ZKTHZLYYKXKCSB-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(F)c(F)c1 ZINC000532492936 1037539911 /nfs/dbraw/zinc/53/99/11/1037539911.db2.gz ZKTHZLYYKXKCSB-QGZVFWFLSA-N 1 2 334.341 3.880 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)c(N(C)C)[nH+]1 ZINC000152704736 1037552180 /nfs/dbraw/zinc/55/21/80/1037552180.db2.gz UVMOTPBJJCZUNR-UHFFFAOYSA-N 1 2 336.395 3.672 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C\C1CCCC1 ZINC000493675763 1037560352 /nfs/dbraw/zinc/56/03/52/1037560352.db2.gz RIEUBHOJBXFTRW-HJWRWDBZSA-N 1 2 328.456 3.512 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000493717230 1037576514 /nfs/dbraw/zinc/57/65/14/1037576514.db2.gz FOBLAGAUFUXBMA-QBMKRARSSA-N 1 2 333.435 3.533 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101865056 1037576681 /nfs/dbraw/zinc/57/66/81/1037576681.db2.gz PEUZOEQARYBMNI-UHFFFAOYSA-N 1 2 341.455 3.929 20 0 EHADLO COc1cccc(COCC[NH2+][C@@H](Cc2ccccc2)C(F)F)c1 ZINC000540142901 1037598392 /nfs/dbraw/zinc/59/83/92/1037598392.db2.gz IIUBHLNBSFGTKZ-SFHVURJKSA-N 1 2 335.394 3.678 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000925272715 1037607947 /nfs/dbraw/zinc/60/79/47/1037607947.db2.gz VFACYWURVJGGCV-QWHCGFSZSA-N 1 2 346.450 3.946 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C(F)F ZINC000493826613 1037637569 /nfs/dbraw/zinc/63/75/69/1037637569.db2.gz RNUNZGRAWVVRRW-HWYHOQROSA-N 1 2 331.366 3.532 20 0 EHADLO Cc1cc(C)c(CNC(=O)/C=C/c2cnc(C(C)(C)C)s2)c[nH+]1 ZINC000493825712 1037637681 /nfs/dbraw/zinc/63/76/81/1037637681.db2.gz QIUMFQPSCVLCCD-VOTSOKGWSA-N 1 2 329.469 3.782 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812261 1037651693 /nfs/dbraw/zinc/65/16/93/1037651693.db2.gz WVHQGVCLPCRIAS-FQEVSTJZSA-N 1 2 338.451 3.651 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812261 1037651697 /nfs/dbraw/zinc/65/16/97/1037651697.db2.gz WVHQGVCLPCRIAS-FQEVSTJZSA-N 1 2 338.451 3.651 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)s1 ZINC000314577721 1037658678 /nfs/dbraw/zinc/65/86/78/1037658678.db2.gz FUWTXVZKHUUOSZ-MRVPVSSYSA-N 1 2 328.796 3.573 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2cncnc2)cc1 ZINC000573674555 1037660761 /nfs/dbraw/zinc/66/07/61/1037660761.db2.gz XUQZBDZLRRNJOM-OAQYLSRUSA-N 1 2 330.435 3.630 20 0 EHADLO CCCn1ncc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1C1CC1 ZINC000573677426 1037661773 /nfs/dbraw/zinc/66/17/73/1037661773.db2.gz AIABTTDMTCXIFI-UHFFFAOYSA-N 1 2 338.415 3.771 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@H](C)O1 ZINC000532574565 1037678910 /nfs/dbraw/zinc/67/89/10/1037678910.db2.gz DXHLOJVOOWYAIK-ZMSDIMECSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@H](C)O1 ZINC000532574565 1037678922 /nfs/dbraw/zinc/67/89/22/1037678922.db2.gz DXHLOJVOOWYAIK-ZMSDIMECSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000491828976 1037697545 /nfs/dbraw/zinc/69/75/45/1037697545.db2.gz WBTAXNZEEUZJMP-QXPKXGMISA-N 1 2 341.455 3.670 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000463126201 1037778053 /nfs/dbraw/zinc/77/80/53/1037778053.db2.gz SQFHHKKYHNKGQX-BZSNNMDCSA-N 1 2 341.476 3.825 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000463126201 1037778062 /nfs/dbraw/zinc/77/80/62/1037778062.db2.gz SQFHHKKYHNKGQX-BZSNNMDCSA-N 1 2 341.476 3.825 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372066 1037796586 /nfs/dbraw/zinc/79/65/86/1037796586.db2.gz DQSSDFJQMPXQSL-CRAIPNDOSA-N 1 2 334.419 3.885 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372066 1037796603 /nfs/dbraw/zinc/79/66/03/1037796603.db2.gz DQSSDFJQMPXQSL-CRAIPNDOSA-N 1 2 334.419 3.885 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000115557268 1037826263 /nfs/dbraw/zinc/82/62/63/1037826263.db2.gz YNENNFZDNMEYHV-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187885099 1037834788 /nfs/dbraw/zinc/83/47/88/1037834788.db2.gz XJGAKHXIWOZMQE-MRXNPFEDSA-N 1 2 343.826 3.586 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187885099 1037834810 /nfs/dbraw/zinc/83/48/10/1037834810.db2.gz XJGAKHXIWOZMQE-MRXNPFEDSA-N 1 2 343.826 3.586 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000760937851 1037858408 /nfs/dbraw/zinc/85/84/08/1037858408.db2.gz SJRFGTIWJVTGNR-NSHDSACASA-N 1 2 330.881 3.740 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000760937851 1037858428 /nfs/dbraw/zinc/85/84/28/1037858428.db2.gz SJRFGTIWJVTGNR-NSHDSACASA-N 1 2 330.881 3.740 20 0 EHADLO O=C(Nc1ccc(CNc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119163836 1037885039 /nfs/dbraw/zinc/88/50/39/1037885039.db2.gz GEUBXEMENDSCDN-KRWDZBQOSA-N 1 2 346.434 3.696 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(C)c3)CCC2)s1 ZINC000592398255 1037940754 /nfs/dbraw/zinc/94/07/54/1037940754.db2.gz WUYFUPISHRMBKJ-CYBMUJFWSA-N 1 2 330.453 3.968 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@H](C)c2ccccc2)c1C ZINC000058466577 1037948230 /nfs/dbraw/zinc/94/82/30/1037948230.db2.gz QLGGAMQWVFOILY-OAHLLOKOSA-N 1 2 343.496 3.775 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121387205 1037962966 /nfs/dbraw/zinc/96/29/66/1037962966.db2.gz REJLZLVLPDYMLD-QGZVFWFLSA-N 1 2 346.452 3.627 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121387205 1037962976 /nfs/dbraw/zinc/96/29/76/1037962976.db2.gz REJLZLVLPDYMLD-QGZVFWFLSA-N 1 2 346.452 3.627 20 0 EHADLO Cc1ccc(CC(C)(C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000416060167 1037977635 /nfs/dbraw/zinc/97/76/35/1037977635.db2.gz KRJXGICKJDRVDO-UHFFFAOYSA-N 1 2 347.462 3.991 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000188110835 1038069794 /nfs/dbraw/zinc/06/97/94/1038069794.db2.gz HKDOJHBJEHPVTD-JQWIXIFHSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000188110835 1038069817 /nfs/dbraw/zinc/06/98/17/1038069817.db2.gz HKDOJHBJEHPVTD-JQWIXIFHSA-N 1 2 349.780 3.990 20 0 EHADLO COc1ccsc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000506803558 1038091868 /nfs/dbraw/zinc/09/18/68/1038091868.db2.gz BPODFRCTKUDYMO-UHFFFAOYSA-N 1 2 336.432 3.745 20 0 EHADLO COc1ccsc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000506803558 1038091882 /nfs/dbraw/zinc/09/18/82/1038091882.db2.gz BPODFRCTKUDYMO-UHFFFAOYSA-N 1 2 336.432 3.745 20 0 EHADLO CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651324613 1038136623 /nfs/dbraw/zinc/13/66/23/1038136623.db2.gz KTTWCQUPMSEQCS-HXUWFJFHSA-N 1 2 325.456 3.618 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCO[C@H](C)c2ccccc2)c[nH+]1 ZINC000454208474 1038204136 /nfs/dbraw/zinc/20/41/36/1038204136.db2.gz IPXKMFQQNOXSMR-QGZVFWFLSA-N 1 2 341.455 3.666 20 0 EHADLO Cc1cc(C)cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000043274694 1038303734 /nfs/dbraw/zinc/30/37/34/1038303734.db2.gz TVJYNJUVLLTJND-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043277263 1038305294 /nfs/dbraw/zinc/30/52/94/1038305294.db2.gz XYHXEEPTKSKJIC-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)cc1O ZINC000532646338 1038332251 /nfs/dbraw/zinc/33/22/51/1038332251.db2.gz TVBAQSVWVGBAMR-UHFFFAOYSA-N 1 2 343.467 3.618 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)cc1O ZINC000532646338 1038332267 /nfs/dbraw/zinc/33/22/67/1038332267.db2.gz TVBAQSVWVGBAMR-UHFFFAOYSA-N 1 2 343.467 3.618 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cnc(C2CC2)s1 ZINC000549410229 1038364865 /nfs/dbraw/zinc/36/48/65/1038364865.db2.gz UZADEGPMXSOLTE-UHFFFAOYSA-N 1 2 349.525 3.529 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cnc(C2CC2)s1 ZINC000549410229 1038364876 /nfs/dbraw/zinc/36/48/76/1038364876.db2.gz UZADEGPMXSOLTE-UHFFFAOYSA-N 1 2 349.525 3.529 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000667105929 1038380112 /nfs/dbraw/zinc/38/01/12/1038380112.db2.gz GWOPYWGUGPHVNE-DYESRHJHSA-N 1 2 345.446 3.962 20 0 EHADLO O=C(CNc1cccc2c1CN(c1cccc[nH+]1)C2)Nc1ccccc1 ZINC000378294684 1038400940 /nfs/dbraw/zinc/40/09/40/1038400940.db2.gz YXNJRFRALIPMBX-UHFFFAOYSA-N 1 2 344.418 3.652 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c(C)[nH+]1 ZINC000667119202 1038457955 /nfs/dbraw/zinc/45/79/55/1038457955.db2.gz LPOYARXOTOAHRR-SFHVURJKSA-N 1 2 338.455 3.749 20 0 EHADLO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000667175294 1038618801 /nfs/dbraw/zinc/61/88/01/1038618801.db2.gz FUTRSYXYRSULSU-JZXOWHBKSA-N 1 2 332.492 3.692 20 0 EHADLO CCCOc1cccc2c(N3CCC(C4(O)CC4)CC3)cc[nH+]c12 ZINC000651379106 1038641632 /nfs/dbraw/zinc/64/16/32/1038641632.db2.gz QYGYHUIYITYVIM-UHFFFAOYSA-N 1 2 326.440 3.765 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000648380450 1038670058 /nfs/dbraw/zinc/67/00/58/1038670058.db2.gz IXSKTKVPCXSVDG-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000648380450 1038670062 /nfs/dbraw/zinc/67/00/62/1038670062.db2.gz IXSKTKVPCXSVDG-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO Cc1nn2c(C[NH2+][C@@H](c3ccco3)c3ccccc3)c(C)nc2s1 ZINC000378523282 1038689546 /nfs/dbraw/zinc/68/95/46/1038689546.db2.gz UZUHYYYQRBYCNP-QGZVFWFLSA-N 1 2 338.436 3.880 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000924685100 1038705559 /nfs/dbraw/zinc/70/55/59/1038705559.db2.gz OMYRXBDJXRDCAG-MRXNPFEDSA-N 1 2 348.809 3.757 20 0 EHADLO CCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156203 1038717002 /nfs/dbraw/zinc/71/70/02/1038717002.db2.gz UKWSGGKUYDHIFP-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156203 1038717007 /nfs/dbraw/zinc/71/70/07/1038717007.db2.gz UKWSGGKUYDHIFP-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)s1 ZINC000363889767 1038787125 /nfs/dbraw/zinc/78/71/25/1038787125.db2.gz UPUXGLRVSJZWOU-LBPRGKRZSA-N 1 2 344.406 3.849 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)s1 ZINC000363889767 1038787138 /nfs/dbraw/zinc/78/71/38/1038787138.db2.gz UPUXGLRVSJZWOU-LBPRGKRZSA-N 1 2 344.406 3.849 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCC[C@H]1C ZINC000488102716 1038860231 /nfs/dbraw/zinc/86/02/31/1038860231.db2.gz HKHASTUDYCDUIB-AEFFLSMTSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCC[C@H]1C ZINC000488102716 1038860248 /nfs/dbraw/zinc/86/02/48/1038860248.db2.gz HKHASTUDYCDUIB-AEFFLSMTSA-N 1 2 343.471 3.606 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000485287124 1038867446 /nfs/dbraw/zinc/86/74/46/1038867446.db2.gz SAWWGIJMSQRQSA-UHFFFAOYSA-N 1 2 331.419 3.932 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1c(F)cccc1Cl ZINC000539378725 1038871174 /nfs/dbraw/zinc/87/11/74/1038871174.db2.gz FHAZHIPGGPPCHA-XUJVJEKNSA-N 1 2 326.843 3.825 20 0 EHADLO Fc1ccccc1[C@@H]([NH2+]Cc1ncnn1CC(F)F)C1CCCC1 ZINC000488129743 1038889746 /nfs/dbraw/zinc/88/97/46/1038889746.db2.gz URVDBTJDUPGHHF-KRWDZBQOSA-N 1 2 338.377 3.703 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000668823791 1038890169 /nfs/dbraw/zinc/89/01/69/1038890169.db2.gz LFULYJSEWACLKN-ACJLOTCBSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000668823791 1038890194 /nfs/dbraw/zinc/89/01/94/1038890194.db2.gz LFULYJSEWACLKN-ACJLOTCBSA-N 1 2 335.398 3.630 20 0 EHADLO CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC(C)(C)C1 ZINC000910468724 1038926038 /nfs/dbraw/zinc/92/60/38/1038926038.db2.gz VLXIFEPANDHDBV-UHFFFAOYSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2ncnn2CC(F)F)c2ccccc2)cc1 ZINC000488202657 1038960804 /nfs/dbraw/zinc/96/08/04/1038960804.db2.gz UANLGMLBPOVPSU-LJQANCHMSA-N 1 2 342.393 3.731 20 0 EHADLO CC(C)C[C@H](C)CSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000512396713 1039001524 /nfs/dbraw/zinc/00/15/24/1039001524.db2.gz SEOPXEHMYYPKES-KRWDZBQOSA-N 1 2 349.544 3.536 20 0 EHADLO Fc1ccc([C@@H](NCc2c[nH+]c3n2CCCC3)c2ccccn2)cc1 ZINC000367437368 1039034717 /nfs/dbraw/zinc/03/47/17/1039034717.db2.gz ITFCSHFUPRZQQL-HXUWFJFHSA-N 1 2 336.414 3.633 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000512404394 1039039262 /nfs/dbraw/zinc/03/92/62/1039039262.db2.gz HOLIZMOGPFAIQG-GOSISDBHSA-N 1 2 344.503 3.662 20 0 EHADLO O=C([O-])CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000905766286 1039094436 /nfs/dbraw/zinc/09/44/36/1039094436.db2.gz GVVHFYOWKKZTBS-UHFFFAOYSA-N 1 2 327.428 3.530 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898470174 1039100321 /nfs/dbraw/zinc/10/03/21/1039100321.db2.gz HJZNCMNYZPFVCS-HFBDLHNASA-N 1 2 330.369 3.796 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C\c2cccc(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898470174 1039100330 /nfs/dbraw/zinc/10/03/30/1039100330.db2.gz HJZNCMNYZPFVCS-HFBDLHNASA-N 1 2 330.369 3.796 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000512431117 1039103415 /nfs/dbraw/zinc/10/34/15/1039103415.db2.gz XXLXNNGMDZOLNN-IAGOWNOFSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@](O)(Cn1c2ccccc2[nH+]c1NCc1ccccc1)C(F)F ZINC000905875330 1039153607 /nfs/dbraw/zinc/15/36/07/1039153607.db2.gz FBTYUQUDGHHODN-SFHVURJKSA-N 1 2 331.366 3.665 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ncc(Br)cn1 ZINC000552311927 1039161950 /nfs/dbraw/zinc/16/19/50/1039161950.db2.gz IXURCOMWPATMDV-GFCCVEGCSA-N 1 2 346.272 3.969 20 0 EHADLO CC[C@@](O)(C[N@H+](C)[C@@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897848 1039170494 /nfs/dbraw/zinc/17/04/94/1039170494.db2.gz DWCMKZUJHRGEEW-IINYFYTJSA-N 1 2 332.391 3.993 20 0 EHADLO CC[C@@](O)(C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1)C(F)(F)F ZINC000905897848 1039170500 /nfs/dbraw/zinc/17/05/00/1039170500.db2.gz DWCMKZUJHRGEEW-IINYFYTJSA-N 1 2 332.391 3.993 20 0 EHADLO C[C@@H](c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503495 1039178298 /nfs/dbraw/zinc/17/82/98/1039178298.db2.gz MGEBPJFNPVKFFH-SWLSCSKDSA-N 1 2 346.368 3.516 20 0 EHADLO C[C@@H](c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503495 1039178308 /nfs/dbraw/zinc/17/83/08/1039178308.db2.gz MGEBPJFNPVKFFH-SWLSCSKDSA-N 1 2 346.368 3.516 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1COc2ccc(Cl)cc21 ZINC000488465660 1039207183 /nfs/dbraw/zinc/20/71/83/1039207183.db2.gz UEWKLZPWUCZANJ-AWEZNQCLSA-N 1 2 339.782 3.640 20 0 EHADLO O=C(Cc1cscn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614056242 1039208626 /nfs/dbraw/zinc/20/86/26/1039208626.db2.gz RDQCDXBLYDRZJC-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2ccc(Br)cc2F)C1 ZINC000668513396 1039222165 /nfs/dbraw/zinc/22/21/65/1039222165.db2.gz HZLXMZAECRNEIT-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000051422995 1039239530 /nfs/dbraw/zinc/23/95/30/1039239530.db2.gz BBVZXWLIPDDODT-MRXNPFEDSA-N 1 2 335.455 3.979 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000051422995 1039239543 /nfs/dbraw/zinc/23/95/43/1039239543.db2.gz BBVZXWLIPDDODT-MRXNPFEDSA-N 1 2 335.455 3.979 20 0 EHADLO COc1cccc(C=C2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000473016260 1039244696 /nfs/dbraw/zinc/24/46/96/1039244696.db2.gz QGVIHVUYLWDVNP-UHFFFAOYSA-N 1 2 342.483 3.623 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3c[nH]c4ncccc34)c2)[nH+]c1C ZINC000363987107 1039272446 /nfs/dbraw/zinc/27/24/46/1039272446.db2.gz JTLJSCVMYBNVFC-UHFFFAOYSA-N 1 2 345.406 3.751 20 0 EHADLO ClC1(Cl)C[C@@H]1c1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000906126751 1039324247 /nfs/dbraw/zinc/32/42/47/1039324247.db2.gz PCFIXUQUVLLBAV-GFCCVEGCSA-N 1 2 335.194 3.507 20 0 EHADLO CCSc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000488678869 1039337344 /nfs/dbraw/zinc/33/73/44/1039337344.db2.gz WENYXJPBSYZTFE-UHFFFAOYSA-N 1 2 346.525 3.754 20 0 EHADLO CCSc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000488678869 1039337358 /nfs/dbraw/zinc/33/73/58/1039337358.db2.gz WENYXJPBSYZTFE-UHFFFAOYSA-N 1 2 346.525 3.754 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1nn(C)cc1Br ZINC000432815118 1039350894 /nfs/dbraw/zinc/35/08/94/1039350894.db2.gz CITIGWMKEOZOAJ-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nn(C)cc1Br ZINC000432815118 1039350910 /nfs/dbraw/zinc/35/09/10/1039350910.db2.gz CITIGWMKEOZOAJ-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Clc1cccc(Cl)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488722212 1039359513 /nfs/dbraw/zinc/35/95/13/1039359513.db2.gz URAGBEIHKJDSKS-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO Cc1nc(-c2ccc([C@@H](C)NC(=O)CCc3[nH]cc[nH+]3)cc2)cs1 ZINC000554496625 1039404478 /nfs/dbraw/zinc/40/44/78/1039404478.db2.gz WNICTSAGDDCPQU-GFCCVEGCSA-N 1 2 340.452 3.652 20 0 EHADLO Cc1cc(C)c(NC(=O)N([C@H](C)C(=O)OC(C)(C)C)C2CC2)c(C)[nH+]1 ZINC000417135278 1039456143 /nfs/dbraw/zinc/45/61/43/1039456143.db2.gz GNKJLQFGIDOCNR-CQSZACIVSA-N 1 2 347.459 3.733 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000667663637 1039458525 /nfs/dbraw/zinc/45/85/25/1039458525.db2.gz SHHQLOLJCYJBFT-XOBRGWDASA-N 1 2 343.446 3.789 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000667663637 1039458542 /nfs/dbraw/zinc/45/85/42/1039458542.db2.gz SHHQLOLJCYJBFT-XOBRGWDASA-N 1 2 343.446 3.789 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542430 1039459382 /nfs/dbraw/zinc/45/93/82/1039459382.db2.gz QMNZJAVVQBCBHU-WBVHZDCISA-N 1 2 341.459 3.759 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(C3CC3)nn2)c2ccccc2)cc1 ZINC000906313837 1039466481 /nfs/dbraw/zinc/46/64/81/1039466481.db2.gz RZVAQLWGCYKSNY-FQEVSTJZSA-N 1 2 334.423 3.501 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3c3cncc(C)c3)nn2)cc1 ZINC000906323338 1039473590 /nfs/dbraw/zinc/47/35/90/1039473590.db2.gz RPAADHXADVWRSM-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3CCC[C@H]3c3cncc(C)c3)nn2)cc1 ZINC000906323338 1039473599 /nfs/dbraw/zinc/47/35/99/1039473599.db2.gz RPAADHXADVWRSM-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)s2)s1 ZINC000051679812 1039486528 /nfs/dbraw/zinc/48/65/28/1039486528.db2.gz VCANXQICSAFHEI-UHFFFAOYSA-N 1 2 342.917 3.774 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)s1 ZINC000051679812 1039486535 /nfs/dbraw/zinc/48/65/35/1039486535.db2.gz VCANXQICSAFHEI-UHFFFAOYSA-N 1 2 342.917 3.774 20 0 EHADLO CCn1ncnc1C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000488961567 1039504021 /nfs/dbraw/zinc/50/40/21/1039504021.db2.gz AGQASGQWDJFUAC-LLVKDONJSA-N 1 2 343.258 3.504 20 0 EHADLO CCn1ncnc1C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000488961567 1039504033 /nfs/dbraw/zinc/50/40/33/1039504033.db2.gz AGQASGQWDJFUAC-LLVKDONJSA-N 1 2 343.258 3.504 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCCNc1cccc[nH+]1 ZINC000488987482 1039527610 /nfs/dbraw/zinc/52/76/10/1039527610.db2.gz WQOMOURYBRTMPH-IAGOWNOFSA-N 1 2 337.467 3.989 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCCNc1cccc[nH+]1 ZINC000488987481 1039527835 /nfs/dbraw/zinc/52/78/35/1039527835.db2.gz WQOMOURYBRTMPH-DLBZAZTESA-N 1 2 337.467 3.989 20 0 EHADLO C[N@H+](Cc1ccnc(N)c1)Cc1ccc(Br)cc1Cl ZINC000489004558 1039553945 /nfs/dbraw/zinc/55/39/45/1039553945.db2.gz CSHXORYLFAWXFS-UHFFFAOYSA-N 1 2 340.652 3.542 20 0 EHADLO C[N@@H+](Cc1ccnc(N)c1)Cc1ccc(Br)cc1Cl ZINC000489004558 1039553961 /nfs/dbraw/zinc/55/39/61/1039553961.db2.gz CSHXORYLFAWXFS-UHFFFAOYSA-N 1 2 340.652 3.542 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@](C)(c2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000552834837 1039554129 /nfs/dbraw/zinc/55/41/29/1039554129.db2.gz NQMYNYJZIYXCJK-HXUWFJFHSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000489051409 1039571973 /nfs/dbraw/zinc/57/19/73/1039571973.db2.gz ZNEHSVDQGMDUQY-SJORKVTESA-N 1 2 325.456 3.721 20 0 EHADLO CC(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000554671493 1039574297 /nfs/dbraw/zinc/57/42/97/1039574297.db2.gz RZDRLDJUFPAWJV-KRWDZBQOSA-N 1 2 346.862 3.843 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000667680454 1039610882 /nfs/dbraw/zinc/61/08/82/1039610882.db2.gz HLVVGFQAHIXCTA-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000667680454 1039610896 /nfs/dbraw/zinc/61/08/96/1039610896.db2.gz HLVVGFQAHIXCTA-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO Cc1sc(NC(=O)NCCCNc2cccc[nH+]2)nc1C(C)C ZINC000667372315 1039616260 /nfs/dbraw/zinc/61/62/60/1039616260.db2.gz FNMHDDSPHMSBMY-UHFFFAOYSA-N 1 2 333.461 3.594 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000478688194 1039623065 /nfs/dbraw/zinc/62/30/65/1039623065.db2.gz LNMQQMRYWXOJCY-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000906541193 1039635088 /nfs/dbraw/zinc/63/50/88/1039635088.db2.gz OBKIJMFTZBYPJV-MRXNPFEDSA-N 1 2 346.434 3.855 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000480535023 1039655540 /nfs/dbraw/zinc/65/55/40/1039655540.db2.gz GLVCSDGRSALKSM-ZANVPECISA-N 1 2 325.733 3.929 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000480535023 1039655546 /nfs/dbraw/zinc/65/55/46/1039655546.db2.gz GLVCSDGRSALKSM-ZANVPECISA-N 1 2 325.733 3.929 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485876496 1039655508 /nfs/dbraw/zinc/65/55/08/1039655508.db2.gz PJUOGDMZSKWTTH-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485876496 1039655525 /nfs/dbraw/zinc/65/55/25/1039655525.db2.gz PJUOGDMZSKWTTH-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO CC(C)(CNC(=O)c1ccc(SC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000898898808 1039671525 /nfs/dbraw/zinc/67/15/25/1039671525.db2.gz FMUVJYBTLONQOV-UHFFFAOYSA-N 1 2 343.374 3.660 20 0 EHADLO CC(C)(CNC(=O)CSc1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898900374 1039673093 /nfs/dbraw/zinc/67/30/93/1039673093.db2.gz WHSZFHHEFLDETR-UHFFFAOYSA-N 1 2 339.464 3.680 20 0 EHADLO Cc1c(NCC(C)(C)C)cccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898904099 1039690112 /nfs/dbraw/zinc/69/01/12/1039690112.db2.gz RSGKNRMEDQURMH-UHFFFAOYSA-N 1 2 342.487 3.815 20 0 EHADLO Cc1ccc(OC2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC000906722274 1039733654 /nfs/dbraw/zinc/73/36/54/1039733654.db2.gz FYDMVDDHVZLXTO-UHFFFAOYSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnc(-c2ccccc2F)s1 ZINC000554811210 1039750867 /nfs/dbraw/zinc/75/08/67/1039750867.db2.gz CSYIWHMTOSSMOU-LLVKDONJSA-N 1 2 345.447 3.664 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103004 1039752866 /nfs/dbraw/zinc/75/28/66/1039752866.db2.gz PTHDBEVFBNYHCX-VQIMIIECSA-N 1 2 348.450 3.833 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103004 1039752877 /nfs/dbraw/zinc/75/28/77/1039752877.db2.gz PTHDBEVFBNYHCX-VQIMIIECSA-N 1 2 348.450 3.833 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2c(C)nsc2C)nc1C ZINC000570407763 1039776985 /nfs/dbraw/zinc/77/69/85/1039776985.db2.gz KSRSIHFEVSQQCC-SNVBAGLBSA-N 1 2 339.486 3.552 20 0 EHADLO Cc1nc(N[C@@H](Cc2ccccc2)c2nccn2C)c2c([nH+]1)CCCC2 ZINC000651433297 1039845509 /nfs/dbraw/zinc/84/55/09/1039845509.db2.gz WPCVIKQVLFIYGM-IBGZPJMESA-N 1 2 347.466 3.793 20 0 EHADLO Fc1ccc(OC(F)(F)F)cc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001143545209 1039860583 /nfs/dbraw/zinc/86/05/83/1039860583.db2.gz SGPUOHYLXVLXOX-SNVBAGLBSA-N 1 2 339.329 3.754 20 0 EHADLO CC[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@]2(CCOC2)O1 ZINC000553209663 1039867855 /nfs/dbraw/zinc/86/78/55/1039867855.db2.gz UQWOJIJZZWFTDI-UGSOOPFHSA-N 1 2 332.831 3.663 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000479097891 1039964054 /nfs/dbraw/zinc/96/40/54/1039964054.db2.gz OZKBWBNDXWVCRK-INIZCTEOSA-N 1 2 328.843 3.904 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000479097891 1039964064 /nfs/dbraw/zinc/96/40/64/1039964064.db2.gz OZKBWBNDXWVCRK-INIZCTEOSA-N 1 2 328.843 3.904 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(F)cc2C)c1 ZINC000489433336 1039971043 /nfs/dbraw/zinc/97/10/43/1039971043.db2.gz GXJZLOJTARMFIH-UHFFFAOYSA-N 1 2 337.398 3.900 20 0 EHADLO Cc1cc(OCC(=O)N(C)Cc2ccccc2C)c2ccccc2[nH+]1 ZINC000486206839 1039976724 /nfs/dbraw/zinc/97/67/24/1039976724.db2.gz VDBQMDVZSICSDR-UHFFFAOYSA-N 1 2 334.419 3.889 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)cc12 ZINC000894041388 1040002284 /nfs/dbraw/zinc/00/22/84/1040002284.db2.gz FHXADVGNCXKLRL-LIRRHRJNSA-N 1 2 337.423 3.802 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)cc12 ZINC000894041388 1040002297 /nfs/dbraw/zinc/00/22/97/1040002297.db2.gz FHXADVGNCXKLRL-LIRRHRJNSA-N 1 2 337.423 3.802 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)cc12 ZINC000894043004 1040003224 /nfs/dbraw/zinc/00/32/24/1040003224.db2.gz QKWCNSABOZINFX-SGTLLEGYSA-N 1 2 341.386 3.632 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@@H](c4ccc(F)cc4)O[C@@H](C)C3)cc12 ZINC000894043004 1040003240 /nfs/dbraw/zinc/00/32/40/1040003240.db2.gz QKWCNSABOZINFX-SGTLLEGYSA-N 1 2 341.386 3.632 20 0 EHADLO CC(C)(CNC(=O)c1c(Cl)cccc1C(F)(F)F)n1cc[nH+]c1 ZINC000912614024 1040036505 /nfs/dbraw/zinc/03/65/05/1040036505.db2.gz HONIXEBUVRNQND-UHFFFAOYSA-N 1 2 345.752 3.720 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000555021166 1040053674 /nfs/dbraw/zinc/05/36/74/1040053674.db2.gz JYVURAOONXZQLK-UHFFFAOYSA-N 1 2 334.782 3.512 20 0 EHADLO O=C(NCc1cc2ccccc2s1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000489617889 1040094739 /nfs/dbraw/zinc/09/47/39/1040094739.db2.gz DLTCHFWKLQKRNS-GOSISDBHSA-N 1 2 336.460 3.792 20 0 EHADLO O=C(NCc1cc2ccccc2s1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000489617889 1040094755 /nfs/dbraw/zinc/09/47/55/1040094755.db2.gz DLTCHFWKLQKRNS-GOSISDBHSA-N 1 2 336.460 3.792 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000555072704 1040128858 /nfs/dbraw/zinc/12/88/58/1040128858.db2.gz DQSJSIRGPPVYLE-VIFPVBQESA-N 1 2 336.260 3.660 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000555072704 1040128866 /nfs/dbraw/zinc/12/88/66/1040128866.db2.gz DQSJSIRGPPVYLE-VIFPVBQESA-N 1 2 336.260 3.660 20 0 EHADLO CCCc1c(NC(=O)CNc2cccc[nH+]2)cnn1-c1ccccc1C ZINC000907736126 1040152808 /nfs/dbraw/zinc/15/28/08/1040152808.db2.gz DXYSYSWOBJBEDY-UHFFFAOYSA-N 1 2 349.438 3.579 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000419214205 1040157939 /nfs/dbraw/zinc/15/79/39/1040157939.db2.gz XFQAQXKCEVHDGM-ROUUACIJSA-N 1 2 329.444 3.539 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000419214205 1040157946 /nfs/dbraw/zinc/15/79/46/1040157946.db2.gz XFQAQXKCEVHDGM-ROUUACIJSA-N 1 2 329.444 3.539 20 0 EHADLO COc1cccc(SC)c1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000417690468 1040165192 /nfs/dbraw/zinc/16/51/92/1040165192.db2.gz LJRWJALOJIFQBL-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO COc1cccc(SC)c1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000417690468 1040165203 /nfs/dbraw/zinc/16/52/03/1040165203.db2.gz LJRWJALOJIFQBL-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC2(CC2)C1 ZINC000907811033 1040176692 /nfs/dbraw/zinc/17/66/92/1040176692.db2.gz RXLAQRYDQXLFFL-OAHLLOKOSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC2(CC2)C1 ZINC000907811033 1040176702 /nfs/dbraw/zinc/17/67/02/1040176702.db2.gz RXLAQRYDQXLFFL-OAHLLOKOSA-N 1 2 327.472 3.621 20 0 EHADLO Cc1cnc2c(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cccc2c1Cl ZINC000912751469 1040221948 /nfs/dbraw/zinc/22/19/48/1040221948.db2.gz HXSDCISVLMCKHN-GFCCVEGCSA-N 1 2 340.814 3.594 20 0 EHADLO Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000669016841 1040240914 /nfs/dbraw/zinc/24/09/14/1040240914.db2.gz UNBSOTYTPKIHEX-OAGGEKHMSA-N 1 2 327.428 3.569 20 0 EHADLO CCn1c[nH+]cc1CN(Cc1csc(Br)c1)C1CC1 ZINC000417811568 1040245789 /nfs/dbraw/zinc/24/57/89/1040245789.db2.gz NULGYKSHQPGWEY-UHFFFAOYSA-N 1 2 340.290 3.892 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000189495937 1040251503 /nfs/dbraw/zinc/25/15/03/1040251503.db2.gz YVLQPWKNQKYRFK-ZOCIIQOWSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)c1ccccc1 ZINC000189495937 1040251515 /nfs/dbraw/zinc/25/15/15/1040251515.db2.gz YVLQPWKNQKYRFK-ZOCIIQOWSA-N 1 2 331.843 3.835 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000417832840 1040258295 /nfs/dbraw/zinc/25/82/95/1040258295.db2.gz RNTAENNHEWKFLV-UHFFFAOYSA-N 1 2 336.443 3.500 20 0 EHADLO Cc1noc([C@H](C)[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n1 ZINC000644947281 1040265605 /nfs/dbraw/zinc/26/56/05/1040265605.db2.gz RKFYTWCUJIUSBS-NSHDSACASA-N 1 2 332.473 3.654 20 0 EHADLO CC[C@@H](CC(F)F)C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000660294182 1040270654 /nfs/dbraw/zinc/27/06/54/1040270654.db2.gz SAJQDHBGRXDZIW-QWHCGFSZSA-N 1 2 331.428 3.703 20 0 EHADLO CC[C@@H](CC(F)F)C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000660294182 1040270668 /nfs/dbraw/zinc/27/06/68/1040270668.db2.gz SAJQDHBGRXDZIW-QWHCGFSZSA-N 1 2 331.428 3.703 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000555244590 1040333908 /nfs/dbraw/zinc/33/39/08/1040333908.db2.gz VSKJREBLXBUHEM-WOJBJXKFSA-N 1 2 333.435 3.882 20 0 EHADLO Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)o1 ZINC000432993948 1040399873 /nfs/dbraw/zinc/39/98/73/1040399873.db2.gz MRBYXWKPUREOOS-AWEZNQCLSA-N 1 2 338.411 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c[nH+]1 ZINC000908348249 1040406711 /nfs/dbraw/zinc/40/67/11/1040406711.db2.gz WEFYKXAJTANCMC-UHFFFAOYSA-N 1 2 334.423 3.936 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230451 1040412321 /nfs/dbraw/zinc/41/23/21/1040412321.db2.gz NXNPJYJGTJDPAY-AFAVFJNCSA-N 1 2 339.430 3.540 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230451 1040412330 /nfs/dbraw/zinc/41/23/30/1040412330.db2.gz NXNPJYJGTJDPAY-AFAVFJNCSA-N 1 2 339.430 3.540 20 0 EHADLO CC(C)Cc1coc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000899448607 1040524474 /nfs/dbraw/zinc/52/44/74/1040524474.db2.gz YVIWTFVJCYTFEB-MRXNPFEDSA-N 1 2 338.411 3.757 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000418072827 1040540907 /nfs/dbraw/zinc/54/09/07/1040540907.db2.gz XZJFXAXTISREPU-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000418072827 1040540922 /nfs/dbraw/zinc/54/09/22/1040540922.db2.gz XZJFXAXTISREPU-UHFFFAOYSA-N 1 2 347.462 3.749 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000500129941 1040567498 /nfs/dbraw/zinc/56/74/98/1040567498.db2.gz PWLXRAWEXJBYGA-QMTHXVAHSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000500129941 1040567513 /nfs/dbraw/zinc/56/75/13/1040567513.db2.gz PWLXRAWEXJBYGA-QMTHXVAHSA-N 1 2 346.215 3.728 20 0 EHADLO C[C@H](c1nnc(SC[C@H]2C[C@H]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000629083294 1040600529 /nfs/dbraw/zinc/60/05/29/1040600529.db2.gz COGBTXHBXRKJRH-JHJVBQTASA-N 1 2 334.464 3.777 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]3c3nc4ccccc4[nH]3)c2c1C ZINC000645106171 1040611111 /nfs/dbraw/zinc/61/11/11/1040611111.db2.gz AIFHPSMZCNMIIT-OAHLLOKOSA-N 1 2 332.411 3.793 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000418125550 1040615334 /nfs/dbraw/zinc/61/53/34/1040615334.db2.gz NXFUKYVWJQOMJP-AVGNSLFASA-N 1 2 329.893 3.610 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000418125550 1040615341 /nfs/dbraw/zinc/61/53/41/1040615341.db2.gz NXFUKYVWJQOMJP-AVGNSLFASA-N 1 2 329.893 3.610 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cnn2c1CCC2 ZINC000667555676 1040616129 /nfs/dbraw/zinc/61/61/29/1040616129.db2.gz JUMMHHXSGXORGN-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667555676 1040616141 /nfs/dbraw/zinc/61/61/41/1040616141.db2.gz JUMMHHXSGXORGN-UHFFFAOYSA-N 1 2 349.482 3.572 20 0 EHADLO Cc1[nH]c(C2CCN(C(=O)c3cc(O)c4ccccc4c3)CC2)[nH+]c1C ZINC000899509632 1040618473 /nfs/dbraw/zinc/61/84/73/1040618473.db2.gz MYQKVYIJADEERY-UHFFFAOYSA-N 1 2 349.434 3.905 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000553973713 1040637218 /nfs/dbraw/zinc/63/72/18/1040637218.db2.gz FSGBXNUAUJCHDG-INIZCTEOSA-N 1 2 342.443 3.675 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000319299354 1040662472 /nfs/dbraw/zinc/66/24/72/1040662472.db2.gz IHQWWFNBCYKAEW-NSHDSACASA-N 1 2 341.835 3.733 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000319299353 1040663254 /nfs/dbraw/zinc/66/32/54/1040663254.db2.gz IHQWWFNBCYKAEW-LLVKDONJSA-N 1 2 341.835 3.733 20 0 EHADLO CCOc1c(OC)cc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1OC ZINC000924871282 1040672476 /nfs/dbraw/zinc/67/24/76/1040672476.db2.gz IPOXYEVKQABXCL-CQSZACIVSA-N 1 2 346.427 3.566 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191781270 1040686874 /nfs/dbraw/zinc/68/68/74/1040686874.db2.gz HNRHTDWJYVBAQI-CRAIPNDOSA-N 1 2 349.434 3.622 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191781270 1040686885 /nfs/dbraw/zinc/68/68/85/1040686885.db2.gz HNRHTDWJYVBAQI-CRAIPNDOSA-N 1 2 349.434 3.622 20 0 EHADLO CS[C@H]1CCCC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000600132766 1040700992 /nfs/dbraw/zinc/70/09/92/1040700992.db2.gz OBCZSMZRRVGZTB-NSHDSACASA-N 1 2 333.270 3.701 20 0 EHADLO CS[C@H]1CCCC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000600132766 1040701009 /nfs/dbraw/zinc/70/10/09/1040701009.db2.gz OBCZSMZRRVGZTB-NSHDSACASA-N 1 2 333.270 3.701 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CCCC1 ZINC000664005328 1040761204 /nfs/dbraw/zinc/76/12/04/1040761204.db2.gz NRLMNGXODJLSMG-INIZCTEOSA-N 1 2 332.492 3.599 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CCCC1 ZINC000664005328 1040761218 /nfs/dbraw/zinc/76/12/18/1040761218.db2.gz NRLMNGXODJLSMG-INIZCTEOSA-N 1 2 332.492 3.599 20 0 EHADLO CC(C)C[C@H](c1nc([C@@H]2Cc3ccc(F)cc32)no1)n1cc[nH+]c1 ZINC000924151893 1040779339 /nfs/dbraw/zinc/77/93/39/1040779339.db2.gz UGSYASUBDSFBJW-HZPDHXFCSA-N 1 2 326.375 3.729 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cc1nc(-c2cccnc2)no1 ZINC000051853500 1040801631 /nfs/dbraw/zinc/80/16/31/1040801631.db2.gz MSTODSQSYVKMJC-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cc1nc(-c2cccnc2)no1 ZINC000051853500 1040801655 /nfs/dbraw/zinc/80/16/55/1040801655.db2.gz MSTODSQSYVKMJC-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000490916364 1040817938 /nfs/dbraw/zinc/81/79/38/1040817938.db2.gz GAUQVBMZLDQBPL-SJKOYZFVSA-N 1 2 346.862 3.749 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H](C2CCCC2)C1 ZINC000582115587 1040819491 /nfs/dbraw/zinc/81/94/91/1040819491.db2.gz ULLWBGHBEFYBHO-GOSISDBHSA-N 1 2 338.455 3.594 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555609710 1040909779 /nfs/dbraw/zinc/90/97/79/1040909779.db2.gz YNVYBSCADWUNND-QGZVFWFLSA-N 1 2 342.487 3.947 20 0 EHADLO CO[C@@H](C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C)C1CCCCC1 ZINC000614282747 1040918986 /nfs/dbraw/zinc/91/89/86/1040918986.db2.gz WDOJCOJMTUKQQB-QGZVFWFLSA-N 1 2 327.428 3.919 20 0 EHADLO COc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491137255 1040922564 /nfs/dbraw/zinc/92/25/64/1040922564.db2.gz QBZSFUBVZRMUPG-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO COc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491137255 1040922570 /nfs/dbraw/zinc/92/25/70/1040922570.db2.gz QBZSFUBVZRMUPG-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO CCn1c(C)cc(C(=O)C[NH+]2CCC(c3ncc(C)s3)CC2)c1C ZINC000433156989 1040939051 /nfs/dbraw/zinc/93/90/51/1040939051.db2.gz DSLODOBFRKABFY-UHFFFAOYSA-N 1 2 345.512 3.952 20 0 EHADLO O[C@H](C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1)C(F)(F)F ZINC000570887316 1040964039 /nfs/dbraw/zinc/96/40/39/1040964039.db2.gz GHNCYBSPFYXJOG-CQSZACIVSA-N 1 2 348.365 3.571 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)cc(F)c1F ZINC001143607681 1040997552 /nfs/dbraw/zinc/99/75/52/1040997552.db2.gz VOCKBSHXEFBLRA-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000569867496 1041026723 /nfs/dbraw/zinc/02/67/23/1041026723.db2.gz HYYVELRNUCLULL-UHFFFAOYSA-N 1 2 340.311 3.534 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000668788903 1041035991 /nfs/dbraw/zinc/03/59/91/1041035991.db2.gz MLMVBFKSPCGCFT-ZBEGNZNMSA-N 1 2 338.220 3.800 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C)cn1 ZINC000781928517 1041099866 /nfs/dbraw/zinc/09/98/66/1041099866.db2.gz WXKPATXXOLAIDQ-QGZVFWFLSA-N 1 2 333.476 3.611 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C)cn1 ZINC000781928517 1041099881 /nfs/dbraw/zinc/09/98/81/1041099881.db2.gz WXKPATXXOLAIDQ-QGZVFWFLSA-N 1 2 333.476 3.611 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCCc3ccncc3)CCO2)c(Cl)c1 ZINC000481603838 1041144297 /nfs/dbraw/zinc/14/42/97/1041144297.db2.gz BEJDHFPKWDDUFZ-SFHVURJKSA-N 1 2 334.822 3.880 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCCc3ccncc3)CCO2)c(Cl)c1 ZINC000481603838 1041144304 /nfs/dbraw/zinc/14/43/04/1041144304.db2.gz BEJDHFPKWDDUFZ-SFHVURJKSA-N 1 2 334.822 3.880 20 0 EHADLO CC(C)C1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCC1 ZINC001142646573 1041164146 /nfs/dbraw/zinc/16/41/46/1041164146.db2.gz SWYBUEGWDKSPMJ-UXBLZVDNSA-N 1 2 326.484 3.670 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000512882368 1041170024 /nfs/dbraw/zinc/17/00/24/1041170024.db2.gz AJBJISNBDBDXFW-MRXNPFEDSA-N 1 2 341.455 3.509 20 0 EHADLO COc1cc(C[NH2+]C2(C(F)F)CCCCC2)cc(OC)c1OC ZINC000512892976 1041184905 /nfs/dbraw/zinc/18/49/05/1041184905.db2.gz ZIEQYIHBBMBINA-UHFFFAOYSA-N 1 2 329.387 3.770 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3Cc4ccccc4OC4(CCC4)C3)ccn12 ZINC000899830260 1041190821 /nfs/dbraw/zinc/19/08/21/1041190821.db2.gz SJKNGHNAEJQAPH-UHFFFAOYSA-N 1 2 347.418 3.600 20 0 EHADLO CC(C)C1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000571130512 1041196354 /nfs/dbraw/zinc/19/63/54/1041196354.db2.gz KTBDQVUTMRQOFP-UHFFFAOYSA-N 1 2 339.483 3.805 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000509839476 1041202075 /nfs/dbraw/zinc/20/20/75/1041202075.db2.gz XXNYMBMJIICJSH-UHFFFAOYSA-N 1 2 341.846 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412033212 1041216290 /nfs/dbraw/zinc/21/62/90/1041216290.db2.gz CTYBPEOYZKABFT-RYUDHWBXSA-N 1 2 339.277 3.897 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412033212 1041216297 /nfs/dbraw/zinc/21/62/97/1041216297.db2.gz CTYBPEOYZKABFT-RYUDHWBXSA-N 1 2 339.277 3.897 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(C2CC2)nn1C ZINC000645847482 1041276356 /nfs/dbraw/zinc/27/63/56/1041276356.db2.gz ZRJPLBXJHFGJFV-INIZCTEOSA-N 1 2 328.460 3.578 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCc3ccccc3F)ccc2[nH+]1 ZINC000432061537 1041494332 /nfs/dbraw/zinc/49/43/32/1041494332.db2.gz JSQDCZAFDHEGSC-UHFFFAOYSA-N 1 2 326.375 3.536 20 0 EHADLO CCc1nc(C[NH+]2CCC(Nc3cccc(OC)c3)CC2)cs1 ZINC000111305279 1041552613 /nfs/dbraw/zinc/55/26/13/1041552613.db2.gz RFZAWCYIQMWGKJ-UHFFFAOYSA-N 1 2 331.485 3.791 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)on1 ZINC000047273568 1041604636 /nfs/dbraw/zinc/60/46/36/1041604636.db2.gz YAKJOQZXFSUJMI-SJLPKXTDSA-N 1 2 341.455 3.614 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)on1 ZINC000047273568 1041604640 /nfs/dbraw/zinc/60/46/40/1041604640.db2.gz YAKJOQZXFSUJMI-SJLPKXTDSA-N 1 2 341.455 3.614 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)s1 ZINC000511838786 1041678919 /nfs/dbraw/zinc/67/89/19/1041678919.db2.gz QRVUJXFYPNSWBQ-CRAIPNDOSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)s1 ZINC000511838786 1041678921 /nfs/dbraw/zinc/67/89/21/1041678921.db2.gz QRVUJXFYPNSWBQ-CRAIPNDOSA-N 1 2 345.512 3.951 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(c3noc4cc(F)ccc43)CC2)[nH]1 ZINC000660567888 1041685134 /nfs/dbraw/zinc/68/51/34/1041685134.db2.gz ZOOVOVRWLHBDQD-NSHDSACASA-N 1 2 343.406 3.588 20 0 EHADLO O=C(NCCn1cc[nH+]c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000043947778 1041794032 /nfs/dbraw/zinc/79/40/32/1041794032.db2.gz FBTCCOONVAOKMP-SFHVURJKSA-N 1 2 337.448 3.533 20 0 EHADLO Cc1nc(N2CCC(c3nc4ccccc4[nH]3)CC2)c2c([nH+]1)CCCC2 ZINC000301577357 1041832190 /nfs/dbraw/zinc/83/21/90/1041832190.db2.gz QVHZXPFDCRXNBL-UHFFFAOYSA-N 1 2 347.466 3.924 20 0 EHADLO Cc1nc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c(C)o1 ZINC000660927183 1041875829 /nfs/dbraw/zinc/87/58/29/1041875829.db2.gz YENBJPDMRFQSMN-UHFFFAOYSA-N 1 2 326.318 3.969 20 0 EHADLO CCC(CC)CCCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000660952455 1041886659 /nfs/dbraw/zinc/88/66/59/1041886659.db2.gz OTEJACZCSXYBEV-QGZVFWFLSA-N 1 2 332.492 3.518 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1cncs1 ZINC000164334229 1042019383 /nfs/dbraw/zinc/01/93/83/1042019383.db2.gz DMDVFCPTERWVFI-OAHLLOKOSA-N 1 2 326.469 3.823 20 0 EHADLO CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000661247156 1042029736 /nfs/dbraw/zinc/02/97/36/1042029736.db2.gz GYSZHOKXAAIMNP-OAHLLOKOSA-N 1 2 332.835 3.514 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000045103397 1042041936 /nfs/dbraw/zinc/04/19/36/1042041936.db2.gz OCDVFEBEIFVKNL-HDPALTEOSA-N 1 2 331.485 3.633 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc(OC)c1 ZINC000661477884 1042139694 /nfs/dbraw/zinc/13/96/94/1042139694.db2.gz IXBPEOMQNIBMES-MRXNPFEDSA-N 1 2 344.436 3.889 20 0 EHADLO CC[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001137568700 1042140064 /nfs/dbraw/zinc/14/00/64/1042140064.db2.gz KXIYKXBDMZVPFO-CQSZACIVSA-N 1 2 338.442 3.629 20 0 EHADLO CC[N@H+]1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001137568700 1042140067 /nfs/dbraw/zinc/14/00/67/1042140067.db2.gz KXIYKXBDMZVPFO-CQSZACIVSA-N 1 2 338.442 3.629 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)c2cc(C)[nH]c2C)cc1F ZINC000661658416 1042237994 /nfs/dbraw/zinc/23/79/94/1042237994.db2.gz ISIAJYMGRSMSHQ-QGZVFWFLSA-N 1 2 330.403 3.799 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)c2cc(C)[nH]c2C)cc1F ZINC000661658416 1042237997 /nfs/dbraw/zinc/23/79/97/1042237997.db2.gz ISIAJYMGRSMSHQ-QGZVFWFLSA-N 1 2 330.403 3.799 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)c1 ZINC000652331052 1042378389 /nfs/dbraw/zinc/37/83/89/1042378389.db2.gz WRSNWZDFPZNJLZ-QGZVFWFLSA-N 1 2 327.384 3.884 20 0 EHADLO CC(C)(C)c1csc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000549581031 1042422292 /nfs/dbraw/zinc/42/22/92/1042422292.db2.gz HOJMJRZAPMOVET-UHFFFAOYSA-N 1 2 347.488 3.849 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1ccc(Br)c(F)c1)CC2 ZINC000661955736 1042429897 /nfs/dbraw/zinc/42/98/97/1042429897.db2.gz OTVAJZNRDNJORP-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccccc1 ZINC000661974176 1042439583 /nfs/dbraw/zinc/43/95/83/1042439583.db2.gz VJXDARNOZMUECL-HUUCEWRRSA-N 1 2 327.453 3.670 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccccc1 ZINC000661974176 1042439587 /nfs/dbraw/zinc/43/95/87/1042439587.db2.gz VJXDARNOZMUECL-HUUCEWRRSA-N 1 2 327.453 3.670 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cnc(C2CC2)o1)c1cc(Cl)cc(Cl)c1 ZINC000628300875 1042463874 /nfs/dbraw/zinc/46/38/74/1042463874.db2.gz APPSFXZUZWWLJR-INIZCTEOSA-N 1 2 341.238 3.856 20 0 EHADLO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000662022163 1042465490 /nfs/dbraw/zinc/46/54/90/1042465490.db2.gz SKNJFVBCXVCXIF-ZDUSSCGKSA-N 1 2 341.402 3.873 20 0 EHADLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000662022163 1042465495 /nfs/dbraw/zinc/46/54/95/1042465495.db2.gz SKNJFVBCXVCXIF-ZDUSSCGKSA-N 1 2 341.402 3.873 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1nccs1)[C@@H](C)c1ccc(F)cc1 ZINC000184402891 1042520843 /nfs/dbraw/zinc/52/08/43/1042520843.db2.gz BFROGAPZWICIKS-STQMWFEESA-N 1 2 335.448 3.543 20 0 EHADLO CCc1sc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000253599534 1042568160 /nfs/dbraw/zinc/56/81/60/1042568160.db2.gz QWNCRCGYNMEPGL-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO Cc1ccc(SCC[N@@H+]2CCn3c(nnc3C(C)(C)C)C2)cc1C ZINC000662244420 1042631971 /nfs/dbraw/zinc/63/19/71/1042631971.db2.gz QBEVMJSIPNNBCE-UHFFFAOYSA-N 1 2 344.528 3.800 20 0 EHADLO Cc1ccc(SCC[N@H+]2CCn3c(nnc3C(C)(C)C)C2)cc1C ZINC000662244420 1042631975 /nfs/dbraw/zinc/63/19/75/1042631975.db2.gz QBEVMJSIPNNBCE-UHFFFAOYSA-N 1 2 344.528 3.800 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H](CC(F)(F)F)O1 ZINC000662244814 1042632594 /nfs/dbraw/zinc/63/25/94/1042632594.db2.gz VLZVCFBQSWYKKA-XHDPSFHLSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H](CC(F)(F)F)O1 ZINC000662244814 1042632596 /nfs/dbraw/zinc/63/25/96/1042632596.db2.gz VLZVCFBQSWYKKA-XHDPSFHLSA-N 1 2 342.336 3.916 20 0 EHADLO O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161747915 1042683990 /nfs/dbraw/zinc/68/39/90/1042683990.db2.gz QJRHCQZWGNFNLJ-CRAIPNDOSA-N 1 2 343.858 3.757 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CC4CC3(c3ccccc3)C4)n2)c1 ZINC000662333609 1042686238 /nfs/dbraw/zinc/68/62/38/1042686238.db2.gz YVYJBDQPGPBGHU-UHFFFAOYSA-N 1 2 349.409 3.921 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CC4CC3(c3ccccc3)C4)n2)c1 ZINC000662333609 1042686240 /nfs/dbraw/zinc/68/62/40/1042686240.db2.gz YVYJBDQPGPBGHU-UHFFFAOYSA-N 1 2 349.409 3.921 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000303184120 1042915107 /nfs/dbraw/zinc/91/51/07/1042915107.db2.gz LEQOTSHNYGTGHN-QPGLYAHGSA-N 1 2 328.500 3.916 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000007806389 1042920799 /nfs/dbraw/zinc/92/07/99/1042920799.db2.gz MNNWJLUWQYSJKG-UHFFFAOYSA-N 1 2 330.497 3.662 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000007806389 1042920802 /nfs/dbraw/zinc/92/08/02/1042920802.db2.gz MNNWJLUWQYSJKG-UHFFFAOYSA-N 1 2 330.497 3.662 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408274528 1042921595 /nfs/dbraw/zinc/92/15/95/1042921595.db2.gz ZZBOUVKCIZQOAW-INWMFGNUSA-N 1 2 327.428 3.731 20 0 EHADLO Cc1cc(C[NH+]2CC(Cc3ccccc3)C2)ncc1Br ZINC000628306387 1042930690 /nfs/dbraw/zinc/93/06/90/1042930690.db2.gz ZWHIEKOVUSYHPX-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO CC(C)(CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000303674017 1042940361 /nfs/dbraw/zinc/94/03/61/1042940361.db2.gz KLWTZZWVHGRLDU-UHFFFAOYSA-N 1 2 333.435 3.871 20 0 EHADLO Brc1cnnc(Nc2ccc(NC3CCCC3)[nH+]c2)c1 ZINC000663523682 1042973697 /nfs/dbraw/zinc/97/36/97/1042973697.db2.gz IZBHXNUPOOUNPL-UHFFFAOYSA-N 1 2 334.221 3.732 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)n1 ZINC000722378617 1042990722 /nfs/dbraw/zinc/99/07/22/1042990722.db2.gz KZEHQTDNGZWMNP-UHFFFAOYSA-N 1 2 330.284 3.801 20 0 EHADLO Cc1nc(C)c(CCNc2nc(C)[nH+]c(C)c2Br)s1 ZINC000663581216 1043017508 /nfs/dbraw/zinc/01/75/08/1043017508.db2.gz MJWMFLWYOOKCHS-UHFFFAOYSA-N 1 2 341.278 3.584 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)NCCCNc1cccc[nH+]1 ZINC000115160093 1043025381 /nfs/dbraw/zinc/02/53/81/1043025381.db2.gz FEZRTCVGNGDJIA-UHFFFAOYSA-N 1 2 349.887 3.587 20 0 EHADLO O=C(/C=C/c1ccsc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278970424 1043104904 /nfs/dbraw/zinc/10/49/04/1043104904.db2.gz OLZJCZLIXZWKBC-SNAWJCMRSA-N 1 2 341.480 3.700 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000279021193 1043202822 /nfs/dbraw/zinc/20/28/22/1043202822.db2.gz MRRBNEBMHOVUMC-CHWSQXEVSA-N 1 2 349.887 3.909 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000344087277 1043232714 /nfs/dbraw/zinc/23/27/14/1043232714.db2.gz IDTSGGGWXQGBLX-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)c2)n1 ZINC000344087277 1043232726 /nfs/dbraw/zinc/23/27/26/1043232726.db2.gz IDTSGGGWXQGBLX-IBGZPJMESA-N 1 2 347.418 3.863 20 0 EHADLO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344095054 1043244459 /nfs/dbraw/zinc/24/44/59/1043244459.db2.gz DZBLVPSLGDIELM-GFCCVEGCSA-N 1 2 343.333 3.557 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1CC1CCC1 ZINC000663687806 1043586684 /nfs/dbraw/zinc/58/66/84/1043586684.db2.gz YEYPHXYIQRYZMD-SFHVURJKSA-N 1 2 344.503 3.516 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1F ZINC000606582777 1043700545 /nfs/dbraw/zinc/70/05/45/1043700545.db2.gz CQOMEWDHCJYFKG-HNNXBMFYSA-N 1 2 330.338 3.885 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)c(N(C)C)[nH+]1 ZINC000866897004 1043782220 /nfs/dbraw/zinc/78/22/20/1043782220.db2.gz NWUJYARTCKQKTQ-UHFFFAOYSA-N 1 2 339.439 3.602 20 0 EHADLO Cc1noc(Cl)c1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162842804 1043796406 /nfs/dbraw/zinc/79/64/06/1043796406.db2.gz HEAAVWMIVJVZHZ-UHFFFAOYSA-N 1 2 330.775 3.598 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)cc2[nH+]1 ZINC000344379990 1043853173 /nfs/dbraw/zinc/85/31/73/1043853173.db2.gz ZFTWFBSUGOXNAA-LLVKDONJSA-N 1 2 339.370 3.858 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Cl)c1C ZINC000279339062 1043974006 /nfs/dbraw/zinc/97/40/06/1043974006.db2.gz RMIFVRUSIBVKCQ-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000279375673 1044003311 /nfs/dbraw/zinc/00/33/11/1044003311.db2.gz HKVSKRQNABZOPT-SFHVURJKSA-N 1 2 325.412 3.910 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccccc3F)n2)c1 ZINC000279432325 1044080608 /nfs/dbraw/zinc/08/06/08/1044080608.db2.gz GRVVODHGVWZYIV-STQMWFEESA-N 1 2 325.391 3.726 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1OC(C)C ZINC000344630225 1044217758 /nfs/dbraw/zinc/21/77/58/1044217758.db2.gz LURCZGHVGHKARW-UHFFFAOYSA-N 1 2 335.473 3.747 20 0 EHADLO C[N@H+](CCSCc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000279574393 1044246853 /nfs/dbraw/zinc/24/68/53/1044246853.db2.gz VDXZQSWHJHDHML-UHFFFAOYSA-N 1 2 343.418 3.811 20 0 EHADLO C[N@@H+](CCSCc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000279574393 1044246865 /nfs/dbraw/zinc/24/68/65/1044246865.db2.gz VDXZQSWHJHDHML-UHFFFAOYSA-N 1 2 343.418 3.811 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)s1 ZINC000051063321 1044363852 /nfs/dbraw/zinc/36/38/52/1044363852.db2.gz NDCGIPZPQRLDHD-MRXNPFEDSA-N 1 2 331.485 3.700 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)s1 ZINC000051063321 1044363866 /nfs/dbraw/zinc/36/38/66/1044363866.db2.gz NDCGIPZPQRLDHD-MRXNPFEDSA-N 1 2 331.485 3.700 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000512288452 1044551554 /nfs/dbraw/zinc/55/15/54/1044551554.db2.gz ZYNICNMNKSXJGR-UHFFFAOYSA-N 1 2 344.499 3.698 20 0 EHADLO CSc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000512291431 1044559168 /nfs/dbraw/zinc/55/91/68/1044559168.db2.gz JLLPWJXLPNSGFI-UHFFFAOYSA-N 1 2 332.513 3.633 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000112665643 1044603042 /nfs/dbraw/zinc/60/30/42/1044603042.db2.gz QLPRCAKEHHEBLI-INIZCTEOSA-N 1 2 349.434 3.930 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2ccnn2C)C1 ZINC000344896569 1044670301 /nfs/dbraw/zinc/67/03/01/1044670301.db2.gz RVECQHBBKAXREI-OAHLLOKOSA-N 1 2 336.439 3.669 20 0 EHADLO CO[C@@H]1CCOc2c(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000344916330 1044681624 /nfs/dbraw/zinc/68/16/24/1044681624.db2.gz WUONJRNKRRQINV-GOSISDBHSA-N 1 2 349.390 3.595 20 0 EHADLO O=C(CCc1cc2ccccc2o1)NCCCCNc1cccc[nH+]1 ZINC000345020832 1044834861 /nfs/dbraw/zinc/83/48/61/1044834861.db2.gz ABMSFIDMWVOTMQ-UHFFFAOYSA-N 1 2 337.423 3.769 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892272 1135746714 /nfs/dbraw/zinc/74/67/14/1135746714.db2.gz UWCIVWSNVYCNCN-PWSUYJOCSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892272 1135746719 /nfs/dbraw/zinc/74/67/19/1135746719.db2.gz UWCIVWSNVYCNCN-PWSUYJOCSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000620340770 1125554394 /nfs/dbraw/zinc/55/43/94/1125554394.db2.gz SIGBJGZYOYHVQM-NWDGAFQWSA-N 1 2 325.334 3.730 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000183618272 1125620737 /nfs/dbraw/zinc/62/07/37/1125620737.db2.gz LLZSBSVOMYVPOG-MAUKXSAKSA-N 1 2 342.464 3.667 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000183618272 1125620740 /nfs/dbraw/zinc/62/07/40/1125620740.db2.gz LLZSBSVOMYVPOG-MAUKXSAKSA-N 1 2 342.464 3.667 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCC[C@H]12 ZINC000183720063 1125735972 /nfs/dbraw/zinc/73/59/72/1125735972.db2.gz PWQPOQWFTMJEFM-LZQZEXGQSA-N 1 2 338.455 3.592 20 0 EHADLO Cc1ccc(OCCCC(=O)N(C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000154962495 1125770429 /nfs/dbraw/zinc/77/04/29/1125770429.db2.gz ZGGHCYVHNCXXOW-UHFFFAOYSA-N 1 2 349.862 3.553 20 0 EHADLO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000177949742 1131237350 /nfs/dbraw/zinc/23/73/50/1131237350.db2.gz MCQKGNJXUCSFBC-MRXNPFEDSA-N 1 2 340.427 3.733 20 0 EHADLO CC(C)n1nccc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684362473 1126706165 /nfs/dbraw/zinc/70/61/65/1126706165.db2.gz IPANFSLMQNJDBJ-GHMZBOCLSA-N 1 2 329.288 3.637 20 0 EHADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000622541942 1126717908 /nfs/dbraw/zinc/71/79/08/1126717908.db2.gz LHOSUDVHVUJHKA-UHFFFAOYSA-N 1 2 338.451 3.570 20 0 EHADLO C[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000622545979 1126715959 /nfs/dbraw/zinc/71/59/59/1126715959.db2.gz CNANYDWKQRAIDS-AWEZNQCLSA-N 1 2 334.891 3.641 20 0 EHADLO C[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000622545979 1126715962 /nfs/dbraw/zinc/71/59/62/1126715962.db2.gz CNANYDWKQRAIDS-AWEZNQCLSA-N 1 2 334.891 3.641 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000622527966 1126716412 /nfs/dbraw/zinc/71/64/12/1126716412.db2.gz MWFDEADXXUVVDJ-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000622565136 1126719386 /nfs/dbraw/zinc/71/93/86/1126719386.db2.gz JJQMBLQOUYEFAS-MOPGFXCFSA-N 1 2 340.854 3.576 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984771 1126728491 /nfs/dbraw/zinc/72/84/91/1126728491.db2.gz LPIDXPQNJQBANU-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000184984771 1126728495 /nfs/dbraw/zinc/72/84/95/1126728495.db2.gz LPIDXPQNJQBANU-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@@H]([NH2+]Cc1nccs1)c1cc(Br)cc(F)c1O ZINC000185087776 1126755249 /nfs/dbraw/zinc/75/52/49/1126755249.db2.gz NJEVNAUTQIAUJM-SSDOTTSWSA-N 1 2 331.210 3.601 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3C)c2C1 ZINC000171346236 1126762730 /nfs/dbraw/zinc/76/27/30/1126762730.db2.gz WXMCZFADDJZTNI-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3C)c2C1 ZINC000171346236 1126762734 /nfs/dbraw/zinc/76/27/34/1126762734.db2.gz WXMCZFADDJZTNI-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(Cl)nc2)cc1 ZINC000072580841 1126765614 /nfs/dbraw/zinc/76/56/14/1126765614.db2.gz QXGRLUPNCNZRGD-CQSZACIVSA-N 1 2 345.874 3.736 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(Cl)nc2)cc1 ZINC000072580841 1126765615 /nfs/dbraw/zinc/76/56/15/1126765615.db2.gz QXGRLUPNCNZRGD-CQSZACIVSA-N 1 2 345.874 3.736 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000172168124 1126782929 /nfs/dbraw/zinc/78/29/29/1126782929.db2.gz XNKDVPIMOYLDCV-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000172168124 1126782932 /nfs/dbraw/zinc/78/29/32/1126782932.db2.gz XNKDVPIMOYLDCV-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)c1cccs1 ZINC000172329418 1126789510 /nfs/dbraw/zinc/78/95/10/1126789510.db2.gz KXMSXJXSLYYKSF-HNNXBMFYSA-N 1 2 335.436 3.821 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000174630459 1126857415 /nfs/dbraw/zinc/85/74/15/1126857415.db2.gz PIDAFUJPLCJNOB-LJQANCHMSA-N 1 2 341.432 3.562 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296665 1126910624 /nfs/dbraw/zinc/91/06/24/1126910624.db2.gz NBSBXGWZAUCTTG-WMZOPIPTSA-N 1 2 345.874 3.797 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305756 1126911484 /nfs/dbraw/zinc/91/14/84/1126911484.db2.gz YYIKTDUPWSHQMR-KVZIAJEVSA-N 1 2 337.467 3.678 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2nnc(CC)o2)C(C)C)cc1OCC ZINC000192507676 1126915059 /nfs/dbraw/zinc/91/50/59/1126915059.db2.gz AKBDUGNFYJAEBA-LJQANCHMSA-N 1 2 347.459 3.916 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000623574701 1126989408 /nfs/dbraw/zinc/98/94/08/1126989408.db2.gz UUGZLSANAVMYEA-GFCCVEGCSA-N 1 2 337.313 3.868 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000177828555 1127000878 /nfs/dbraw/zinc/00/08/78/1127000878.db2.gz KFUNHFGIVUTAFK-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000177828555 1127000881 /nfs/dbraw/zinc/00/08/81/1127000881.db2.gz KFUNHFGIVUTAFK-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO COC(=O)C[N@H+](Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC000177888474 1127002298 /nfs/dbraw/zinc/00/22/98/1127002298.db2.gz OFMQSHXZOPBSSO-UHFFFAOYSA-N 1 2 330.453 3.728 20 0 EHADLO COC(=O)C[N@@H+](Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC000177888474 1127002301 /nfs/dbraw/zinc/00/23/01/1127002301.db2.gz OFMQSHXZOPBSSO-UHFFFAOYSA-N 1 2 330.453 3.728 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000623670622 1127010421 /nfs/dbraw/zinc/01/04/21/1127010421.db2.gz ZNRTZGPSYRUBBJ-CQSZACIVSA-N 1 2 334.366 3.655 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000623670622 1127010425 /nfs/dbraw/zinc/01/04/25/1127010425.db2.gz ZNRTZGPSYRUBBJ-CQSZACIVSA-N 1 2 334.366 3.655 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000349403899 1127039237 /nfs/dbraw/zinc/03/92/37/1127039237.db2.gz GWAANPNIFJSVCL-ZWNOBZJWSA-N 1 2 337.395 3.877 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc2ccc(F)cc2c1 ZINC000178975628 1127040680 /nfs/dbraw/zinc/04/06/80/1127040680.db2.gz CAKGMXZUEMBYDK-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1-c1ccccc1Cl ZINC000179835044 1127095454 /nfs/dbraw/zinc/09/54/54/1127095454.db2.gz VVIHIANHQWGPOX-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1F ZINC000179963550 1127105076 /nfs/dbraw/zinc/10/50/76/1127105076.db2.gz CFEHKOIUYKVKKK-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000623798374 1127173974 /nfs/dbraw/zinc/17/39/74/1127173974.db2.gz SYBMTELZMCOBGY-AWEZNQCLSA-N 1 2 331.268 3.972 20 0 EHADLO CC[C@H](CN[C@H](C)c1nc(C)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000623857198 1127199605 /nfs/dbraw/zinc/19/96/05/1127199605.db2.gz KRAXBTKGLWBYNX-CRAIPNDOSA-N 1 2 329.513 3.939 20 0 EHADLO CC[C@H](CN[C@H](C)c1nc(C)cs1)[N@H+]1CCc2ccccc2C1 ZINC000623857198 1127199608 /nfs/dbraw/zinc/19/96/08/1127199608.db2.gz KRAXBTKGLWBYNX-CRAIPNDOSA-N 1 2 329.513 3.939 20 0 EHADLO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1nc2c(s1)CCCC2 ZINC000624052622 1127242926 /nfs/dbraw/zinc/24/29/26/1127242926.db2.gz KGPOOZVWVBJQEE-VIFPVBQESA-N 1 2 344.406 3.625 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)no1 ZINC000624078592 1127247392 /nfs/dbraw/zinc/24/73/92/1127247392.db2.gz NCPRFEJSLRTYPI-PSOPSSQASA-N 1 2 326.318 3.568 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000624155715 1127259487 /nfs/dbraw/zinc/25/94/87/1127259487.db2.gz BELKTZSEAVNCNC-AWEZNQCLSA-N 1 2 326.366 3.694 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000624155715 1127259489 /nfs/dbraw/zinc/25/94/89/1127259489.db2.gz BELKTZSEAVNCNC-AWEZNQCLSA-N 1 2 326.366 3.694 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000181039315 1127264910 /nfs/dbraw/zinc/26/49/10/1127264910.db2.gz OMACTZHXTDYSJM-GOSISDBHSA-N 1 2 349.862 3.933 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000181325650 1127274077 /nfs/dbraw/zinc/27/40/77/1127274077.db2.gz ZGYBERFOXWHAFC-QAPCUYQASA-N 1 2 337.423 3.851 20 0 EHADLO C=C(C)COCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186114275 1127285069 /nfs/dbraw/zinc/28/50/69/1127285069.db2.gz JUKGNALZJFLDDR-SNVBAGLBSA-N 1 2 332.213 3.537 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nnc(C)n2C2CC2)CC(C)C)c1 ZINC000624195139 1127286266 /nfs/dbraw/zinc/28/62/66/1127286266.db2.gz NCNUKFLCPWZKSK-UHFFFAOYSA-N 1 2 328.460 3.588 20 0 EHADLO COc1cccc(C[N@H+](Cc2nnc(C)n2C2CC2)CC(C)C)c1 ZINC000624195139 1127286268 /nfs/dbraw/zinc/28/62/68/1127286268.db2.gz NCNUKFLCPWZKSK-UHFFFAOYSA-N 1 2 328.460 3.588 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1c(F)cccc1Cl ZINC000181734259 1127292610 /nfs/dbraw/zinc/29/26/10/1127292610.db2.gz GICHLVUXHHSJIN-NSHDSACASA-N 1 2 338.785 3.585 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181885822 1127301183 /nfs/dbraw/zinc/30/11/83/1127301183.db2.gz SPMICCJKVMTWEX-GJZGRUSLSA-N 1 2 344.459 3.618 20 0 EHADLO Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000182286121 1127321115 /nfs/dbraw/zinc/32/11/15/1127321115.db2.gz IMOMPCFGJQFXHV-UHFFFAOYSA-N 1 2 335.411 3.516 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000182683159 1127342846 /nfs/dbraw/zinc/34/28/46/1127342846.db2.gz QBBSKASTTHCXJH-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000182683159 1127342851 /nfs/dbraw/zinc/34/28/51/1127342851.db2.gz QBBSKASTTHCXJH-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001238577374 1127343235 /nfs/dbraw/zinc/34/32/35/1127343235.db2.gz HAVFBVXJVZRFQD-IINYFYTJSA-N 1 2 330.653 3.632 20 0 EHADLO Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001238577374 1127343240 /nfs/dbraw/zinc/34/32/40/1127343240.db2.gz HAVFBVXJVZRFQD-IINYFYTJSA-N 1 2 330.653 3.632 20 0 EHADLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(F)ccc1F ZINC000182875815 1127351667 /nfs/dbraw/zinc/35/16/67/1127351667.db2.gz RWODORXUYLWQSX-KRWDZBQOSA-N 1 2 333.382 3.760 20 0 EHADLO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000183059421 1127361222 /nfs/dbraw/zinc/36/12/22/1127361222.db2.gz BYZZKJXHBNZAEG-QAPCUYQASA-N 1 2 348.487 3.668 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2oc3ccccc3c2C)C(C)C)n1 ZINC000183263232 1127369434 /nfs/dbraw/zinc/36/94/34/1127369434.db2.gz ZXFOPBLGPWFWSA-SFHVURJKSA-N 1 2 343.427 3.800 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(F)c1)c1ccco1 ZINC000184181156 1127396834 /nfs/dbraw/zinc/39/68/34/1127396834.db2.gz BVFUOAMBMAOCIR-RHSMWYFYSA-N 1 2 348.418 3.749 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Cl)c1ccco1 ZINC000184580317 1127409076 /nfs/dbraw/zinc/40/90/76/1127409076.db2.gz MFZONHTZCHISGP-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)cs1 ZINC000184727827 1127411762 /nfs/dbraw/zinc/41/17/62/1127411762.db2.gz SGWQRNVMXDSQIQ-SHARSMKWSA-N 1 2 349.544 3.926 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(CC)C2CCCCC2)cs1 ZINC000184743716 1127412611 /nfs/dbraw/zinc/41/26/11/1127412611.db2.gz FRUJEBGYGCABMZ-ZIAGYGMSSA-N 1 2 337.533 3.926 20 0 EHADLO CC[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)C)cc1)c1nccs1 ZINC000185084087 1127420167 /nfs/dbraw/zinc/42/01/67/1127420167.db2.gz YFZUNEOUVXHMAW-KRWDZBQOSA-N 1 2 345.512 3.666 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000193195357 1127434532 /nfs/dbraw/zinc/43/45/32/1127434532.db2.gz HYAUCIXXJBKRLR-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000193195357 1127434535 /nfs/dbraw/zinc/43/45/35/1127434535.db2.gz HYAUCIXXJBKRLR-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2ccc(F)cc21 ZINC000764174911 1127456338 /nfs/dbraw/zinc/45/63/38/1127456338.db2.gz WNRWILJSLTWYJA-UHFFFAOYSA-N 1 2 335.338 3.850 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)ccc1F ZINC000764485639 1127500117 /nfs/dbraw/zinc/50/01/17/1127500117.db2.gz IDABOYOITBGATO-QGZVFWFLSA-N 1 2 343.427 3.712 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)ccc1F ZINC000764485639 1127500118 /nfs/dbraw/zinc/50/01/18/1127500118.db2.gz IDABOYOITBGATO-QGZVFWFLSA-N 1 2 343.427 3.712 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3ccc4cnccc4c3)cc2)CC1 ZINC000785430523 1127545418 /nfs/dbraw/zinc/54/54/18/1127545418.db2.gz YOIQMYNBGOYLNU-UHFFFAOYSA-N 1 2 333.435 3.808 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764879005 1127547374 /nfs/dbraw/zinc/54/73/74/1127547374.db2.gz LTGWZASJOCJHID-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764879005 1127547376 /nfs/dbraw/zinc/54/73/76/1127547376.db2.gz LTGWZASJOCJHID-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1F ZINC000654607264 1127595383 /nfs/dbraw/zinc/59/53/83/1127595383.db2.gz XAEJYDHKYIFQDN-QGZVFWFLSA-N 1 2 330.407 3.520 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)o1 ZINC000765315778 1127595973 /nfs/dbraw/zinc/59/59/73/1127595973.db2.gz KMQVZYWRWCJTGY-LSDHHAIUSA-N 1 2 332.469 3.658 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000765323196 1127597238 /nfs/dbraw/zinc/59/72/38/1127597238.db2.gz QTWRMYRYOVUOOB-PTZVLDCSSA-N 1 2 326.465 3.667 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)cc2[nH+]1 ZINC000010896597 1127633132 /nfs/dbraw/zinc/63/31/32/1127633132.db2.gz JHTZOLAHOQGZAI-LBPRGKRZSA-N 1 2 341.798 3.715 20 0 EHADLO COc1ccc2c(CC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)coc2c1 ZINC000010895697 1127634288 /nfs/dbraw/zinc/63/42/88/1127634288.db2.gz FSTWGZYXLJISSL-UHFFFAOYSA-N 1 2 335.363 3.807 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc3ccccc3n1C)CCC2 ZINC000171974930 1127643667 /nfs/dbraw/zinc/64/36/67/1127643667.db2.gz IQFXTAPCGKCRTN-INIZCTEOSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc3ccccc3n1C)CCC2 ZINC000171974930 1127643668 /nfs/dbraw/zinc/64/36/68/1127643668.db2.gz IQFXTAPCGKCRTN-INIZCTEOSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1cccn2c(CN3Cc4ccc(Br)cc4C3)c[nH+]c12 ZINC000765672760 1127721732 /nfs/dbraw/zinc/72/17/32/1127721732.db2.gz QMALFPJMGBJDGC-UHFFFAOYSA-N 1 2 342.240 3.921 20 0 EHADLO Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654710260 1127730138 /nfs/dbraw/zinc/73/01/38/1127730138.db2.gz DRRYFIXNFPYIAE-QGZVFWFLSA-N 1 2 348.450 3.521 20 0 EHADLO Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654710260 1127730141 /nfs/dbraw/zinc/73/01/41/1127730141.db2.gz DRRYFIXNFPYIAE-QGZVFWFLSA-N 1 2 348.450 3.521 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC001168553084 1127748663 /nfs/dbraw/zinc/74/86/63/1127748663.db2.gz MZGFRWWKVJJTTR-SECBINFHSA-N 1 2 340.748 3.541 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000026324485 1127771014 /nfs/dbraw/zinc/77/10/14/1127771014.db2.gz HYAUCIXXJBKRLR-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000026324485 1127771016 /nfs/dbraw/zinc/77/10/16/1127771016.db2.gz HYAUCIXXJBKRLR-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026325299 1127771167 /nfs/dbraw/zinc/77/11/67/1127771167.db2.gz DZPNKPYETHLECT-VXGBXAGGSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026325299 1127771170 /nfs/dbraw/zinc/77/11/70/1127771170.db2.gz DZPNKPYETHLECT-VXGBXAGGSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000027474151 1127780744 /nfs/dbraw/zinc/78/07/44/1127780744.db2.gz SCBPBHYGFTYTBU-JLTOFOAXSA-N 1 2 340.492 3.935 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000027474151 1127780747 /nfs/dbraw/zinc/78/07/47/1127780747.db2.gz SCBPBHYGFTYTBU-JLTOFOAXSA-N 1 2 340.492 3.935 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265585354 1127797197 /nfs/dbraw/zinc/79/71/97/1127797197.db2.gz DNBPUVZGJOYZGP-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000029434082 1127800567 /nfs/dbraw/zinc/80/05/67/1127800567.db2.gz GYTBGXAHCLDRRF-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO Cc1cc(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)[nH+]1 ZINC000029914715 1127811246 /nfs/dbraw/zinc/81/12/46/1127811246.db2.gz NHCNVPWUXPAIJQ-UHFFFAOYSA-N 1 2 332.816 3.968 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000030608563 1127822190 /nfs/dbraw/zinc/82/21/90/1127822190.db2.gz DDXJLOSCNAXDQW-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO C[C@@H](OCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000030607649 1127822254 /nfs/dbraw/zinc/82/22/54/1127822254.db2.gz IUBLZCSVYHUANB-QGZVFWFLSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nncn2C)[C@H]2CCc3ccccc32)cc1 ZINC000103469068 1127837740 /nfs/dbraw/zinc/83/77/40/1127837740.db2.gz ZFIIKDOVUAPIMO-FQEVSTJZSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nncn2C)[C@H]2CCc3ccccc32)cc1 ZINC000103469068 1127837747 /nfs/dbraw/zinc/83/77/47/1127837747.db2.gz ZFIIKDOVUAPIMO-FQEVSTJZSA-N 1 2 332.451 3.813 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265608986 1127844442 /nfs/dbraw/zinc/84/44/42/1127844442.db2.gz DTUHYZKZQHELCV-OAHLLOKOSA-N 1 2 325.456 3.872 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000042242126 1127888501 /nfs/dbraw/zinc/88/85/01/1127888501.db2.gz CLJUNOGSKHNCIC-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000042242126 1127888504 /nfs/dbraw/zinc/88/85/04/1127888504.db2.gz CLJUNOGSKHNCIC-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC001626054384 1127906602 /nfs/dbraw/zinc/90/66/02/1127906602.db2.gz WAGPTQFIUHFOII-SFHVURJKSA-N 1 2 343.789 3.651 20 0 EHADLO CCCCc1noc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265649128 1127908977 /nfs/dbraw/zinc/90/89/77/1127908977.db2.gz NJEONBTXVQMQMY-UHFFFAOYSA-N 1 2 337.427 3.578 20 0 EHADLO CCCCc1noc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265649128 1127908979 /nfs/dbraw/zinc/90/89/79/1127908979.db2.gz NJEONBTXVQMQMY-UHFFFAOYSA-N 1 2 337.427 3.578 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517854 1127921362 /nfs/dbraw/zinc/92/13/62/1127921362.db2.gz HKSIEVCWJFGIMB-ZFWWWQNUSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCCC3)n2)C1 ZINC000043546195 1127922166 /nfs/dbraw/zinc/92/21/66/1127922166.db2.gz YFQVNILBNREVIA-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCCC3)n2)C1 ZINC000043546195 1127922167 /nfs/dbraw/zinc/92/21/67/1127922167.db2.gz YFQVNILBNREVIA-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCCC3)n2)C1 ZINC000043546193 1127922293 /nfs/dbraw/zinc/92/22/93/1127922293.db2.gz YFQVNILBNREVIA-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCCC3)n2)C1 ZINC000043546193 1127922297 /nfs/dbraw/zinc/92/22/97/1127922297.db2.gz YFQVNILBNREVIA-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000044741559 1127941093 /nfs/dbraw/zinc/94/10/93/1127941093.db2.gz KTGYMQCWCCLAEM-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000044741559 1127941095 /nfs/dbraw/zinc/94/10/95/1127941095.db2.gz KTGYMQCWCCLAEM-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105522 1127968836 /nfs/dbraw/zinc/96/88/36/1127968836.db2.gz JTASXFKUGIEFNA-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000046341803 1127976115 /nfs/dbraw/zinc/97/61/15/1127976115.db2.gz ASPIPYYZODWEEN-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000046341803 1127976116 /nfs/dbraw/zinc/97/61/16/1127976116.db2.gz ASPIPYYZODWEEN-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000046879298 1127994103 /nfs/dbraw/zinc/99/41/03/1127994103.db2.gz DHNITYXSIFOQRB-QAPCUYQASA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000047027373 1127999084 /nfs/dbraw/zinc/99/90/84/1127999084.db2.gz SICGLPZRSMGWNC-KSSFIOAISA-N 1 2 344.434 3.641 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240528 1128004141 /nfs/dbraw/zinc/00/41/41/1128004141.db2.gz NUDHRHQISOMHHV-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO O=C(Nc1cccc2cccnc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047247830 1128004185 /nfs/dbraw/zinc/00/41/85/1128004185.db2.gz KIXQRSPHDTVZPO-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000047247842 1128004213 /nfs/dbraw/zinc/00/42/13/1128004213.db2.gz ZBWXVQXNDWGHKC-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)c(F)cc1F ZINC001670903647 1128004841 /nfs/dbraw/zinc/00/48/41/1128004841.db2.gz CKDBBIHOWCEVQL-UHFFFAOYSA-N 1 2 340.395 3.664 20 0 EHADLO C[C@@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000057380308 1128046394 /nfs/dbraw/zinc/04/63/94/1128046394.db2.gz ULCMBOJHKIXDDC-ZDUSSCGKSA-N 1 2 339.361 3.602 20 0 EHADLO CCc1cc2c(ncnc2N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000058544838 1128071650 /nfs/dbraw/zinc/07/16/50/1128071650.db2.gz ADUWMVFSICZBFF-UHFFFAOYSA-N 1 2 342.468 3.911 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3cnn(-c4ccccc4)c3)co2)c1 ZINC000064411963 1128073102 /nfs/dbraw/zinc/07/31/02/1128073102.db2.gz PENXWMNQNVMTFQ-UHFFFAOYSA-N 1 2 336.420 3.879 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000060614746 1128110469 /nfs/dbraw/zinc/11/04/69/1128110469.db2.gz VNIUJNAYYVHRSL-FQEVSTJZSA-N 1 2 331.419 3.691 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000060674758 1128112148 /nfs/dbraw/zinc/11/21/48/1128112148.db2.gz MCYXKNJPXVKZQL-SFHVURJKSA-N 1 2 337.448 3.970 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nnc2ccccc2c1=S ZINC000734477934 1131242489 /nfs/dbraw/zinc/24/24/89/1131242489.db2.gz VNFOIUGJVYXVBF-ZBFHGGJFSA-N 1 2 336.464 3.996 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nnc2ccccc2c1=S ZINC000734477934 1131242491 /nfs/dbraw/zinc/24/24/91/1131242491.db2.gz VNFOIUGJVYXVBF-ZBFHGGJFSA-N 1 2 336.464 3.996 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000081984533 1128199641 /nfs/dbraw/zinc/19/96/41/1128199641.db2.gz NPSGKOWPNRUNAS-UHFFFAOYSA-N 1 2 331.297 3.606 20 0 EHADLO Cn1cc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000065866115 1128205559 /nfs/dbraw/zinc/20/55/59/1128205559.db2.gz KAWMRXNPECSXTE-UHFFFAOYSA-N 1 2 330.391 3.545 20 0 EHADLO Cc1sc2ncnc(NCc3cc[nH+]c(N4CCCC4)c3)c2c1C ZINC000067182697 1128236394 /nfs/dbraw/zinc/23/63/94/1128236394.db2.gz BVXVEMWPEOANRI-UHFFFAOYSA-N 1 2 339.468 3.915 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000671773442 1128299925 /nfs/dbraw/zinc/29/99/25/1128299925.db2.gz VTFIEEIZLIDNIH-QWRGUYRKSA-N 1 2 343.374 3.687 20 0 EHADLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000073809585 1128329064 /nfs/dbraw/zinc/32/90/64/1128329064.db2.gz RYIJHZJHLQMILM-GOSISDBHSA-N 1 2 342.487 3.719 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccoc1)C1CCCCC1 ZINC000073809540 1128329294 /nfs/dbraw/zinc/32/92/94/1128329294.db2.gz CBQYFAYVGZBZOT-UHFFFAOYSA-N 1 2 344.459 3.801 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000074470863 1128342507 /nfs/dbraw/zinc/34/25/07/1128342507.db2.gz ZRVHPBWZWPJOIE-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000042880389 1128356849 /nfs/dbraw/zinc/35/68/49/1128356849.db2.gz SIDGACKQCKWSII-HNNXBMFYSA-N 1 2 347.418 3.767 20 0 EHADLO CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000084813080 1128373714 /nfs/dbraw/zinc/37/37/14/1128373714.db2.gz XDXANSBZBPDHON-UHFFFAOYSA-N 1 2 349.390 3.686 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([NH2+]CC(F)(F)c3ccccn3)CCO2)cc1 ZINC001168611729 1128376278 /nfs/dbraw/zinc/37/62/78/1128376278.db2.gz XEKBIWLIDDBFQP-RDJZCZTQSA-N 1 2 348.393 3.692 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3cscc3Br)cn21 ZINC000352761619 1128439398 /nfs/dbraw/zinc/43/93/98/1128439398.db2.gz CNFAJPLLUMEPPC-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)/C=C/C3CCOCC3)cc2)[nH+]c1C ZINC000921661508 1128440138 /nfs/dbraw/zinc/44/01/38/1128440138.db2.gz ITNIHFVAGJPFII-FPYGCLRLSA-N 1 2 325.412 3.615 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C=CC3CCOCC3)cc2)[nH+]c1C ZINC000921661508 1128440139 /nfs/dbraw/zinc/44/01/39/1128440139.db2.gz ITNIHFVAGJPFII-FPYGCLRLSA-N 1 2 325.412 3.615 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CC[C@H](C)O3)cc2)[nH+]c1C ZINC000921662769 1128440612 /nfs/dbraw/zinc/44/06/12/1128440612.db2.gz ZDKXMGZPCRTGLK-SJCJKPOMSA-N 1 2 327.428 3.980 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C(F)F)cc2)c1C ZINC000338677825 1128494138 /nfs/dbraw/zinc/49/41/38/1128494138.db2.gz SXGKCQRWTJYAOI-UHFFFAOYSA-N 1 2 334.366 3.917 20 0 EHADLO CC1(c2ccccc2)CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000153662519 1128576445 /nfs/dbraw/zinc/57/64/45/1128576445.db2.gz VIJNSCWMZHXVGL-UHFFFAOYSA-N 1 2 343.858 3.727 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000465757417 1128633247 /nfs/dbraw/zinc/63/32/47/1128633247.db2.gz RAOFKNFXYFJJIZ-ROUUACIJSA-N 1 2 338.455 3.640 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3cccc(Cl)c3)no2)ccn1 ZINC000347665865 1128730216 /nfs/dbraw/zinc/73/02/16/1128730216.db2.gz FRLBGOUVLDUFAA-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO CCc1nc([C@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cs1 ZINC000265738512 1128733146 /nfs/dbraw/zinc/73/31/46/1128733146.db2.gz VCJRIBRJNPKUJJ-NSHDSACASA-N 1 2 329.429 3.544 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(F)cc1F ZINC000921760963 1128734757 /nfs/dbraw/zinc/73/47/57/1128734757.db2.gz BNIRTCYMXFERSY-LLVKDONJSA-N 1 2 330.176 3.691 20 0 EHADLO Oc1ccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)cc1 ZINC000672140780 1128792220 /nfs/dbraw/zinc/79/22/20/1128792220.db2.gz GWOZKDSRNTYAHB-UHFFFAOYSA-N 1 2 339.826 3.920 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Sc1ccccc1 ZINC000672147184 1128799690 /nfs/dbraw/zinc/79/96/90/1128799690.db2.gz ISVXCUKTQJMZEC-HNNXBMFYSA-N 1 2 349.459 3.779 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@@H]1CCc4c[nH+]cn4C1)(C2)C3 ZINC000672149893 1128803800 /nfs/dbraw/zinc/80/38/00/1128803800.db2.gz ZVQOKTPKHGSBCQ-HKOIMECGSA-N 1 2 341.499 3.701 20 0 EHADLO C[C@H]1CCc2c(sc3ncnc(NCCNc4cccc[nH+]4)c23)C1 ZINC000007337612 1128862117 /nfs/dbraw/zinc/86/21/17/1128862117.db2.gz CXCHEGSLHXBDGP-LBPRGKRZSA-N 1 2 339.468 3.735 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532873 1128865024 /nfs/dbraw/zinc/86/50/24/1128865024.db2.gz UZKKAQSXEGZWIM-INIZCTEOSA-N 1 2 348.406 3.617 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NCCc3cccs3)ccc21 ZINC001670366600 1120036121 /nfs/dbraw/zinc/03/61/21/1120036121.db2.gz OIHHKHTYCLYPHS-UHFFFAOYSA-N 1 2 340.452 3.727 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001670571204 1120086949 /nfs/dbraw/zinc/08/69/49/1120086949.db2.gz FDWJQVNAPWEABA-CZUORRHYSA-N 1 2 346.862 3.904 20 0 EHADLO CCOc1ccc[nH+]c1NCCc1ccc(Br)s1 ZINC000226432445 1120153068 /nfs/dbraw/zinc/15/30/68/1120153068.db2.gz MWXANIHCGSQHNI-UHFFFAOYSA-N 1 2 327.247 3.959 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC000184578330 1120380590 /nfs/dbraw/zinc/38/05/90/1120380590.db2.gz KPHANCVNNJXUAN-KUHUBIRLSA-N 1 2 346.425 3.585 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000185235962 1120405257 /nfs/dbraw/zinc/40/52/57/1120405257.db2.gz SPQQHHIOCSIZPY-BHYGNILZSA-N 1 2 343.471 3.903 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]Cc2nn(C)cc2Cl)ccc1OC ZINC000648729491 1120436976 /nfs/dbraw/zinc/43/69/76/1120436976.db2.gz IFWCNGZKLRLLRU-GFCCVEGCSA-N 1 2 337.851 3.549 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186569351 1120466206 /nfs/dbraw/zinc/46/62/06/1120466206.db2.gz BFNWQRBRQPIZDC-RXVVDRJESA-N 1 2 343.515 3.829 20 0 EHADLO OCC[N@H+](Cc1coc(-c2cccs2)n1)Cc1cccc(F)c1 ZINC000494285389 1120526803 /nfs/dbraw/zinc/52/68/03/1120526803.db2.gz PBLUMFYXHPANHU-UHFFFAOYSA-N 1 2 332.400 3.537 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2cccs2)n1)Cc1cccc(F)c1 ZINC000494285389 1120526809 /nfs/dbraw/zinc/52/68/09/1120526809.db2.gz PBLUMFYXHPANHU-UHFFFAOYSA-N 1 2 332.400 3.537 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000325880565 1120559485 /nfs/dbraw/zinc/55/94/85/1120559485.db2.gz NWDGNIVZWGOHCV-MRXNPFEDSA-N 1 2 330.403 3.680 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000325880565 1120559488 /nfs/dbraw/zinc/55/94/88/1120559488.db2.gz NWDGNIVZWGOHCV-MRXNPFEDSA-N 1 2 330.403 3.680 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)CCS1 ZINC000192182124 1120722951 /nfs/dbraw/zinc/72/29/51/1120722951.db2.gz DCOFLVKSEPVPCT-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)CCS1 ZINC000192182124 1120722957 /nfs/dbraw/zinc/72/29/57/1120722957.db2.gz DCOFLVKSEPVPCT-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192781607 1120748690 /nfs/dbraw/zinc/74/86/90/1120748690.db2.gz PFXBDZOIZXMBLL-QGZVFWFLSA-N 1 2 332.444 3.729 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192781607 1120748693 /nfs/dbraw/zinc/74/86/93/1120748693.db2.gz PFXBDZOIZXMBLL-QGZVFWFLSA-N 1 2 332.444 3.729 20 0 EHADLO CCCC(=O)NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000613430684 1120783261 /nfs/dbraw/zinc/78/32/61/1120783261.db2.gz CVDUYMQFIRYRPI-UHFFFAOYSA-N 1 2 349.525 3.752 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C)cccc3C)CCC2)n1 ZINC000494816538 1120863685 /nfs/dbraw/zinc/86/36/85/1120863685.db2.gz TXXHZAAGTUZUGX-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3ccccc3nc2C)c1C ZINC000194997762 1120876893 /nfs/dbraw/zinc/87/68/93/1120876893.db2.gz YZICLGVNOOZJLU-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000542519741 1120892996 /nfs/dbraw/zinc/89/29/96/1120892996.db2.gz JLWYOGBQSWUIKX-PXNSSMCTSA-N 1 2 345.870 3.707 20 0 EHADLO O[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000542519741 1120892999 /nfs/dbraw/zinc/89/29/99/1120892999.db2.gz JLWYOGBQSWUIKX-PXNSSMCTSA-N 1 2 345.870 3.707 20 0 EHADLO C[C@H]([N@H+](C)Cn1nnn(-c2ccc(Cl)cc2)c1=S)C(C)(C)C ZINC000914569058 1120903142 /nfs/dbraw/zinc/90/31/42/1120903142.db2.gz RSCAGFOWDCLDRV-NSHDSACASA-N 1 2 339.896 3.776 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nnn(-c2ccc(Cl)cc2)c1=S)C(C)(C)C ZINC000914569058 1120903145 /nfs/dbraw/zinc/90/31/45/1120903145.db2.gz RSCAGFOWDCLDRV-NSHDSACASA-N 1 2 339.896 3.776 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@H+](C/C=C\c3ccncc3)CCO2)cc1 ZINC000494933153 1120904829 /nfs/dbraw/zinc/90/48/29/1120904829.db2.gz FHHIDNBNPTXQNG-LPQSXRFUSA-N 1 2 346.377 3.770 20 0 EHADLO FC(F)Oc1ccc([C@@H]2C[N@@H+](C/C=C\c3ccncc3)CCO2)cc1 ZINC000494933153 1120904832 /nfs/dbraw/zinc/90/48/32/1120904832.db2.gz FHHIDNBNPTXQNG-LPQSXRFUSA-N 1 2 346.377 3.770 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(Br)cnn2C)s1 ZINC000494961756 1120915602 /nfs/dbraw/zinc/91/56/02/1120915602.db2.gz VJPVDWBTITUKBH-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)s1 ZINC000494961756 1120915606 /nfs/dbraw/zinc/91/56/06/1120915606.db2.gz VJPVDWBTITUKBH-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000494993605 1120927533 /nfs/dbraw/zinc/92/75/33/1120927533.db2.gz UIZQNYHCXMXMAX-UHFFFAOYSA-N 1 2 346.431 3.505 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c(Br)cnn2C)cc1 ZINC000495061076 1120940451 /nfs/dbraw/zinc/94/04/51/1120940451.db2.gz BOTZNPKGQDVUGI-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)cc1 ZINC000495061076 1120940454 /nfs/dbraw/zinc/94/04/54/1120940454.db2.gz BOTZNPKGQDVUGI-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC000495271745 1121032431 /nfs/dbraw/zinc/03/24/31/1121032431.db2.gz UUTHCMOKPWJCIX-NSHDSACASA-N 1 2 332.404 3.576 20 0 EHADLO CC[NH+](CC)CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000303284034 1121133376 /nfs/dbraw/zinc/13/33/76/1121133376.db2.gz MVONVNXINFVHSD-UHFFFAOYSA-N 1 2 340.402 3.649 20 0 EHADLO CCC[C@@](C)([NH2+]CCCOc1ccc2ccccc2c1)C(=O)OC ZINC000303371151 1121141389 /nfs/dbraw/zinc/14/13/89/1121141389.db2.gz LLMNXESGWHWIEM-HXUWFJFHSA-N 1 2 329.440 3.930 20 0 EHADLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455402 1121149399 /nfs/dbraw/zinc/14/93/99/1121149399.db2.gz JTUCZHXYVZLXNG-CJNGLKHVSA-N 1 2 340.870 3.996 20 0 EHADLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455402 1121149403 /nfs/dbraw/zinc/14/94/03/1121149403.db2.gz JTUCZHXYVZLXNG-CJNGLKHVSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)(CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000303665046 1121170919 /nfs/dbraw/zinc/17/09/19/1121170919.db2.gz IJUBZKIVZXLZQR-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1sccc1SC(F)F ZINC000762261865 1121223056 /nfs/dbraw/zinc/22/30/56/1121223056.db2.gz XLHYGCPCUVFXNO-UHFFFAOYSA-N 1 2 339.392 3.641 20 0 EHADLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000172801602 1128973148 /nfs/dbraw/zinc/97/31/48/1128973148.db2.gz VNYWZAGSWYVHIM-HNNXBMFYSA-N 1 2 349.887 3.651 20 0 EHADLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000172801602 1128973150 /nfs/dbraw/zinc/97/31/50/1128973150.db2.gz VNYWZAGSWYVHIM-HNNXBMFYSA-N 1 2 349.887 3.651 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc3c4ccccc4n(C)c3s2)n1 ZINC000762412530 1121289107 /nfs/dbraw/zinc/28/91/07/1121289107.db2.gz UOEBNBDKIHCQLW-UHFFFAOYSA-N 1 2 349.419 3.767 20 0 EHADLO Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000053601605 1121312405 /nfs/dbraw/zinc/31/24/05/1121312405.db2.gz RBNLSCYEGSPUMH-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153570095 1121351519 /nfs/dbraw/zinc/35/15/19/1121351519.db2.gz JRTRGYSBZMQODC-UHFFFAOYSA-N 1 2 346.500 3.621 20 0 EHADLO CCn1c(COc2ccc(C)cc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000153570095 1121351527 /nfs/dbraw/zinc/35/15/27/1121351527.db2.gz JRTRGYSBZMQODC-UHFFFAOYSA-N 1 2 346.500 3.621 20 0 EHADLO CC(C)c1cc(C[NH2+][C@@H](C)c2cc(Br)ncc2F)on1 ZINC000762757420 1121434987 /nfs/dbraw/zinc/43/49/87/1121434987.db2.gz DDYPUXVRFJRQRV-VIFPVBQESA-N 1 2 342.212 3.945 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Br)ncc1F ZINC000762764051 1121438823 /nfs/dbraw/zinc/43/88/23/1121438823.db2.gz AQTSBRGUGWXLCJ-MRVPVSSYSA-N 1 2 344.615 3.882 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3)no2)cn1 ZINC000542573201 1121506964 /nfs/dbraw/zinc/50/69/64/1121506964.db2.gz FGXYSYUVMVCTAP-ZIAGYGMSSA-N 1 2 325.416 3.926 20 0 EHADLO CCc1cnc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000495853573 1121546681 /nfs/dbraw/zinc/54/66/81/1121546681.db2.gz ABQMEZFZTSTJTP-CYBMUJFWSA-N 1 2 345.468 3.855 20 0 EHADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000495853573 1121546687 /nfs/dbraw/zinc/54/66/87/1121546687.db2.gz ABQMEZFZTSTJTP-CYBMUJFWSA-N 1 2 345.468 3.855 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000763113231 1121696231 /nfs/dbraw/zinc/69/62/31/1121696231.db2.gz OSSIEWUNUDZZOA-UHFFFAOYSA-N 1 2 333.800 3.517 20 0 EHADLO CCc1ccccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225167 1121749556 /nfs/dbraw/zinc/74/95/56/1121749556.db2.gz OMCBTKHUZSTHIC-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO COc1c[nH+]c(NCc2ccc(F)c(Cl)c2F)nc1NC1CC1 ZINC001168503478 1121770785 /nfs/dbraw/zinc/77/07/85/1121770785.db2.gz MYLVCZMMOZRSPU-UHFFFAOYSA-N 1 2 340.761 3.603 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(OCC2CC2)cc1 ZINC000055249630 1121810334 /nfs/dbraw/zinc/81/03/34/1121810334.db2.gz MRPWTNMLCAXFJV-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[N@@H+](C)[C@H]3CCSC3)n2)CC1 ZINC000347465653 1121878117 /nfs/dbraw/zinc/87/81/17/1121878117.db2.gz PPYCEGYYXXHGCY-AWEZNQCLSA-N 1 2 347.459 3.534 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[N@H+](C)[C@H]3CCSC3)n2)CC1 ZINC000347465653 1121878122 /nfs/dbraw/zinc/87/81/22/1121878122.db2.gz PPYCEGYYXXHGCY-AWEZNQCLSA-N 1 2 347.459 3.534 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(OCC2CC2)cc1 ZINC000056013976 1121898896 /nfs/dbraw/zinc/89/88/96/1121898896.db2.gz DQCFUUJSNNRTED-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C4CC4)C3)c(=S)n2C)cc1 ZINC000763331308 1121962741 /nfs/dbraw/zinc/96/27/41/1121962741.db2.gz GJNSOGJQZPPANC-MRXNPFEDSA-N 1 2 328.485 3.616 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C4CC4)C3)c(=S)n2C)cc1 ZINC000763331308 1121962748 /nfs/dbraw/zinc/96/27/48/1121962748.db2.gz GJNSOGJQZPPANC-MRXNPFEDSA-N 1 2 328.485 3.616 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000444199908 1121982619 /nfs/dbraw/zinc/98/26/19/1121982619.db2.gz RKTMFUXADLEKMZ-SFHVURJKSA-N 1 2 348.450 3.663 20 0 EHADLO Cc1nc(C)c(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)s1 ZINC000496274820 1122038375 /nfs/dbraw/zinc/03/83/75/1122038375.db2.gz MHURAJDKCQOVBS-UHFFFAOYSA-N 1 2 348.472 3.792 20 0 EHADLO C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)Cc2ccccc21 ZINC000916371923 1122133877 /nfs/dbraw/zinc/13/38/77/1122133877.db2.gz OOQMOTBOBJQQOA-MRXNPFEDSA-N 1 2 331.419 3.691 20 0 EHADLO CN(C)c1[nH+]cc(CSc2nncn2C2CC2)c2ccccc21 ZINC000916522139 1122181627 /nfs/dbraw/zinc/18/16/27/1122181627.db2.gz JORKTPDXIUUAOK-UHFFFAOYSA-N 1 2 325.441 3.520 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125985324 1122373641 /nfs/dbraw/zinc/37/36/41/1122373641.db2.gz QETCRIPKVJFBFW-WMLDXEAASA-N 1 2 331.847 3.579 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125984609 1122374206 /nfs/dbraw/zinc/37/42/06/1122374206.db2.gz QETCRIPKVJFBFW-PBHICJAKSA-N 1 2 331.847 3.579 20 0 EHADLO Cc1ccc2c(CC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)coc2c1 ZINC000126559300 1122412552 /nfs/dbraw/zinc/41/25/52/1122412552.db2.gz QNFHBUOSCYAHCM-MAUKXSAKSA-N 1 2 337.423 3.590 20 0 EHADLO CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccco1 ZINC000126680512 1122418285 /nfs/dbraw/zinc/41/82/85/1122418285.db2.gz MMPHHYWBBYTAFQ-UHFFFAOYSA-N 1 2 344.440 3.871 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1c(F)cccc1Cl ZINC000917008662 1122436523 /nfs/dbraw/zinc/43/65/23/1122436523.db2.gz ZTIMJLXMNPJTNL-CYBMUJFWSA-N 1 2 338.814 3.912 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 ZINC000126909457 1122451742 /nfs/dbraw/zinc/45/17/42/1122451742.db2.gz WWPOYPDHRIMOMQ-ZJNRKIDTSA-N 1 2 347.386 3.728 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 ZINC000126909457 1122451745 /nfs/dbraw/zinc/45/17/45/1122451745.db2.gz WWPOYPDHRIMOMQ-ZJNRKIDTSA-N 1 2 347.386 3.728 20 0 EHADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000066940091 1122491615 /nfs/dbraw/zinc/49/16/15/1122491615.db2.gz XQTTVJCQSVNYKS-BONVTDFDSA-N 1 2 340.320 3.722 20 0 EHADLO C/C=C\c1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000497370196 1122513528 /nfs/dbraw/zinc/51/35/28/1122513528.db2.gz NDLRYHXMUAKWLO-IVZVJUQRSA-N 1 2 338.455 3.940 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)c3ccco3)cn2c1 ZINC000127997728 1122521993 /nfs/dbraw/zinc/52/19/93/1122521993.db2.gz WERSTYXJWOWUQY-CQSZACIVSA-N 1 2 343.452 3.689 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000128061753 1122526501 /nfs/dbraw/zinc/52/65/01/1122526501.db2.gz GNRFYQMLKGJYHW-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000499595271 1129060653 /nfs/dbraw/zinc/06/06/53/1129060653.db2.gz VUOIDSGWPDVFHY-RDTXWAMCSA-N 1 2 347.480 3.781 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000499595271 1129060655 /nfs/dbraw/zinc/06/06/55/1129060655.db2.gz VUOIDSGWPDVFHY-RDTXWAMCSA-N 1 2 347.480 3.781 20 0 EHADLO O=C(NC1CCCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000128276816 1122548408 /nfs/dbraw/zinc/54/84/08/1122548408.db2.gz XJIHKWLGTLRIAF-RTBURBONSA-N 1 2 338.455 3.744 20 0 EHADLO CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc21)Cc1ccccc1Cl ZINC000672757201 1129063650 /nfs/dbraw/zinc/06/36/50/1129063650.db2.gz GHIOLJJJYNWRIM-QGZVFWFLSA-N 1 2 342.870 3.618 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc21)Cc1ccccc1Cl ZINC000672757201 1129063654 /nfs/dbraw/zinc/06/36/54/1129063654.db2.gz GHIOLJJJYNWRIM-QGZVFWFLSA-N 1 2 342.870 3.618 20 0 EHADLO O=C(/C=C/c1ccccc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000917403182 1122596915 /nfs/dbraw/zinc/59/69/15/1122596915.db2.gz TXYXSIVCOABHJM-VMPITWQZSA-N 1 2 325.318 3.802 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917436442 1122602619 /nfs/dbraw/zinc/60/26/19/1122602619.db2.gz HYZYQDOLNRSGSM-CQSZACIVSA-N 1 2 345.516 3.822 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917436442 1122602624 /nfs/dbraw/zinc/60/26/24/1122602624.db2.gz HYZYQDOLNRSGSM-CQSZACIVSA-N 1 2 345.516 3.822 20 0 EHADLO O=c1c2ccccc2sn1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000917473738 1122611818 /nfs/dbraw/zinc/61/18/18/1122611818.db2.gz AZZKPNDJQKUDLP-MRXNPFEDSA-N 1 2 342.439 3.867 20 0 EHADLO O=c1c2ccccc2sn1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000917473738 1122611819 /nfs/dbraw/zinc/61/18/19/1122611819.db2.gz AZZKPNDJQKUDLP-MRXNPFEDSA-N 1 2 342.439 3.867 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917455596 1122611832 /nfs/dbraw/zinc/61/18/32/1122611832.db2.gz YXMMQEKXGDEYGF-CQSZACIVSA-N 1 2 333.505 3.822 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nnn(C(C)(C)C)c1=S ZINC000917455596 1122611834 /nfs/dbraw/zinc/61/18/34/1122611834.db2.gz YXMMQEKXGDEYGF-CQSZACIVSA-N 1 2 333.505 3.822 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1CN1CCSC1=S ZINC000917472866 1122611957 /nfs/dbraw/zinc/61/19/57/1122611957.db2.gz CIWKFZBVTPHKLS-NSHDSACASA-N 1 2 344.908 3.777 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1CN1CCSC1=S ZINC000917472866 1122611960 /nfs/dbraw/zinc/61/19/60/1122611960.db2.gz CIWKFZBVTPHKLS-NSHDSACASA-N 1 2 344.908 3.777 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000128536019 1122619507 /nfs/dbraw/zinc/61/95/07/1122619507.db2.gz JRUBQQPYJJOLCA-DLBZAZTESA-N 1 2 342.508 3.832 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000917524416 1122621741 /nfs/dbraw/zinc/62/17/41/1122621741.db2.gz OXZDRNUAVONRCT-FPLPWBNLSA-N 1 2 346.883 3.759 20 0 EHADLO C[N@H+](CC1CCCCC1)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000917615238 1122653771 /nfs/dbraw/zinc/65/37/71/1122653771.db2.gz NWMDDUFAQPJKJG-UHFFFAOYSA-N 1 2 343.393 3.609 20 0 EHADLO C[N@@H+](CC1CCCCC1)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000917615238 1122653776 /nfs/dbraw/zinc/65/37/76/1122653776.db2.gz NWMDDUFAQPJKJG-UHFFFAOYSA-N 1 2 343.393 3.609 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000068938857 1122730810 /nfs/dbraw/zinc/73/08/10/1122730810.db2.gz KRSSMYOUNPQNFE-LLVKDONJSA-N 1 2 333.794 3.670 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000069070257 1122750386 /nfs/dbraw/zinc/75/03/86/1122750386.db2.gz BHMZEBZIMVMTSK-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000069070257 1122750390 /nfs/dbraw/zinc/75/03/90/1122750390.db2.gz BHMZEBZIMVMTSK-NSHDSACASA-N 1 2 326.318 3.930 20 0 EHADLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC000918187133 1122774251 /nfs/dbraw/zinc/77/42/51/1122774251.db2.gz VUMDEVPUUHNGNF-OAHLLOKOSA-N 1 2 340.471 3.851 20 0 EHADLO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1nc(C(F)(F)F)cs1 ZINC000922073144 1129077627 /nfs/dbraw/zinc/07/76/27/1129077627.db2.gz OUSYCEHLLGTEMO-VIFPVBQESA-N 1 2 330.379 3.934 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(C2SCCS2)cc1 ZINC000918382548 1122796914 /nfs/dbraw/zinc/79/69/14/1122796914.db2.gz IMTFIGRGLUQLOM-UHFFFAOYSA-N 1 2 347.509 3.572 20 0 EHADLO Cc1ccc(-c2nc(CN3CCC[C@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000444806824 1122815759 /nfs/dbraw/zinc/81/57/59/1122815759.db2.gz MZWBONJKHRFKKX-AWEZNQCLSA-N 1 2 342.468 3.825 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(F)cc2Cl)c2nnc[nH]2)cc1 ZINC000556117898 1122825757 /nfs/dbraw/zinc/82/57/57/1122825757.db2.gz IKQHJYGZRIUCDP-INIZCTEOSA-N 1 2 348.784 3.658 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000556151928 1122845581 /nfs/dbraw/zinc/84/55/81/1122845581.db2.gz LPHZAUTURUZGOJ-HIFRSBDPSA-N 1 2 347.821 3.596 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000556151929 1122846026 /nfs/dbraw/zinc/84/60/26/1122846026.db2.gz LPHZAUTURUZGOJ-UKRRQHHQSA-N 1 2 347.821 3.596 20 0 EHADLO COc1nsc(C[NH2+][C@H]2CCCc3occc32)c1Br ZINC000638359085 1122885106 /nfs/dbraw/zinc/88/51/06/1122885106.db2.gz MGCFJBOQBOHXOC-VIFPVBQESA-N 1 2 343.246 3.674 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)no1 ZINC000556241029 1122892227 /nfs/dbraw/zinc/89/22/27/1122892227.db2.gz MGPBCSQLGDGBQB-OXQOHEQNSA-N 1 2 349.434 3.884 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130139890 1122896525 /nfs/dbraw/zinc/89/65/25/1122896525.db2.gz PAVIZLFPQAEAEE-ZBFHGGJFSA-N 1 2 331.485 3.685 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000445009082 1122954589 /nfs/dbraw/zinc/95/45/89/1122954589.db2.gz CEHDFFJRJUPZOD-YESZJQIVSA-N 1 2 332.492 3.524 20 0 EHADLO CCCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000498555486 1122969416 /nfs/dbraw/zinc/96/94/16/1122969416.db2.gz QVSCNHPATTZHON-UHFFFAOYSA-N 1 2 337.467 3.954 20 0 EHADLO CCOCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000131187921 1123057465 /nfs/dbraw/zinc/05/74/65/1123057465.db2.gz JTSCFNISICUXBL-QAPCUYQASA-N 1 2 342.443 3.535 20 0 EHADLO CCOCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000131187528 1123057510 /nfs/dbraw/zinc/05/75/10/1123057510.db2.gz JTSCFNISICUXBL-CRAIPNDOSA-N 1 2 342.443 3.535 20 0 EHADLO CC(C)c1cnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000498872758 1123094512 /nfs/dbraw/zinc/09/45/12/1123094512.db2.gz JMXSKSGFKFIJJJ-INIZCTEOSA-N 1 2 331.485 3.752 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2ccc(OC(F)F)cn2)no1)n1cc[nH+]c1 ZINC000924022646 1123104440 /nfs/dbraw/zinc/10/44/40/1123104440.db2.gz ABHMUXJWCZUWDB-ZDUSSCGKSA-N 1 2 349.341 3.565 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000556752119 1123105002 /nfs/dbraw/zinc/10/50/02/1123105002.db2.gz IURZBMNIHGYQQI-JOQOYGCGSA-N 1 2 344.434 3.684 20 0 EHADLO COc1ccc(-c2nc(COc3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000072674257 1123140878 /nfs/dbraw/zinc/14/08/78/1123140878.db2.gz DSUYQVNVLMSAAG-UHFFFAOYSA-N 1 2 348.362 3.510 20 0 EHADLO CCc1noc(C)c1CNc1[nH+]ccc2cc(Br)ccc21 ZINC000556847352 1123148060 /nfs/dbraw/zinc/14/80/60/1123148060.db2.gz VPZULMZJJQSQAT-UHFFFAOYSA-N 1 2 346.228 3.890 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc2c(c1)CCC2 ZINC000556859439 1123155468 /nfs/dbraw/zinc/15/54/68/1123155468.db2.gz FBVURPIFBGEXEH-WGSAOQKQSA-N 1 2 335.451 3.723 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000556879193 1123169087 /nfs/dbraw/zinc/16/90/87/1123169087.db2.gz COIAXSLWQXGGSO-AKHDSKFASA-N 1 2 333.472 3.515 20 0 EHADLO CCC(CC)[N@H+](Cn1nc(N2CCCC2)sc1=S)C1CC1 ZINC000919941815 1123239941 /nfs/dbraw/zinc/23/99/41/1123239941.db2.gz UYSYLGQRZZTYTK-UHFFFAOYSA-N 1 2 326.535 3.885 20 0 EHADLO CCC(CC)[N@@H+](Cn1nc(N2CCCC2)sc1=S)C1CC1 ZINC000919941815 1123239943 /nfs/dbraw/zinc/23/99/43/1123239943.db2.gz UYSYLGQRZZTYTK-UHFFFAOYSA-N 1 2 326.535 3.885 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000499255174 1123304799 /nfs/dbraw/zinc/30/47/99/1123304799.db2.gz XHLCRVSMCXJOPY-GOSISDBHSA-N 1 2 327.472 3.898 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000499255174 1123304803 /nfs/dbraw/zinc/30/48/03/1123304803.db2.gz XHLCRVSMCXJOPY-GOSISDBHSA-N 1 2 327.472 3.898 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000428827920 1123307337 /nfs/dbraw/zinc/30/73/37/1123307337.db2.gz NLSAYTSCRNRUQR-HZPDHXFCSA-N 1 2 346.519 3.966 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132851429 1123308865 /nfs/dbraw/zinc/30/88/65/1123308865.db2.gz BXSPUDDMUJZZLD-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132851429 1123308867 /nfs/dbraw/zinc/30/88/67/1123308867.db2.gz BXSPUDDMUJZZLD-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000133172658 1123355585 /nfs/dbraw/zinc/35/55/85/1123355585.db2.gz SSAUWZKRTSMEFU-INIZCTEOSA-N 1 2 345.512 3.594 20 0 EHADLO CC(C)c1ncc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)s1 ZINC000133451345 1123395252 /nfs/dbraw/zinc/39/52/52/1123395252.db2.gz HJZNNTFBWHGDMG-UHFFFAOYSA-N 1 2 341.484 3.872 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000133598465 1123406454 /nfs/dbraw/zinc/40/64/54/1123406454.db2.gz UAZOEVXSAOCQGL-SFHVURJKSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000133598465 1123406457 /nfs/dbraw/zinc/40/64/57/1123406457.db2.gz UAZOEVXSAOCQGL-SFHVURJKSA-N 1 2 328.387 3.525 20 0 EHADLO Cc1cc(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc[nH+]1 ZINC000133797638 1123437286 /nfs/dbraw/zinc/43/72/86/1123437286.db2.gz LSJFOUMONXGLOT-UHFFFAOYSA-N 1 2 341.411 3.918 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921149754 1123472173 /nfs/dbraw/zinc/47/21/73/1123472173.db2.gz XUAHSCNIZLOTQR-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1csc2c1CCCC2 ZINC000921204386 1123478467 /nfs/dbraw/zinc/47/84/67/1123478467.db2.gz RLZOSKAGUWMNJS-UHFFFAOYSA-N 1 2 337.448 3.743 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cs1 ZINC000077030399 1123531049 /nfs/dbraw/zinc/53/10/49/1123531049.db2.gz MPDOIMNGHLQNFV-UHFFFAOYSA-N 1 2 339.505 3.756 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000134653086 1123540424 /nfs/dbraw/zinc/54/04/24/1123540424.db2.gz DRMZVTCFXZBQJP-MNOVXSKESA-N 1 2 345.896 3.674 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(Cl)s1 ZINC000134653086 1123540428 /nfs/dbraw/zinc/54/04/28/1123540428.db2.gz DRMZVTCFXZBQJP-MNOVXSKESA-N 1 2 345.896 3.674 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000134653111 1123540650 /nfs/dbraw/zinc/54/06/50/1123540650.db2.gz DRMZVTCFXZBQJP-QWRGUYRKSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(Cl)s1 ZINC000134653111 1123540654 /nfs/dbraw/zinc/54/06/54/1123540654.db2.gz DRMZVTCFXZBQJP-QWRGUYRKSA-N 1 2 345.896 3.674 20 0 EHADLO c1nn(CC2CCC2)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000921480481 1123549256 /nfs/dbraw/zinc/54/92/56/1123549256.db2.gz KJKXYJBYJLSYMY-OAQYLSRUSA-N 1 2 332.451 3.957 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000135147035 1123586563 /nfs/dbraw/zinc/58/65/63/1123586563.db2.gz SRAKLJIZTDJSHG-SFHVURJKSA-N 1 2 345.464 3.887 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000135147035 1123586565 /nfs/dbraw/zinc/58/65/65/1123586565.db2.gz SRAKLJIZTDJSHG-SFHVURJKSA-N 1 2 345.464 3.887 20 0 EHADLO CCCC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000135235471 1123593895 /nfs/dbraw/zinc/59/38/95/1123593895.db2.gz YLKLKGGMRUSJOF-CEXWTWQISA-N 1 2 333.472 3.784 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1csc(-c2ccc(F)cc2)n1 ZINC000064387942 1123595150 /nfs/dbraw/zinc/59/51/50/1123595150.db2.gz NQFXGZWYTFNXCB-UHFFFAOYSA-N 1 2 341.411 3.981 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000064441305 1123618910 /nfs/dbraw/zinc/61/89/10/1123618910.db2.gz QYVXBBJSZZTQQA-CQSZACIVSA-N 1 2 339.361 3.747 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC[C@@H]3C(C)C)cn2c1 ZINC000609768897 1123659103 /nfs/dbraw/zinc/65/91/03/1123659103.db2.gz UCMIKMHXLIBMEH-QGZVFWFLSA-N 1 2 345.512 3.913 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079450345 1123695503 /nfs/dbraw/zinc/69/55/03/1123695503.db2.gz DSQKVJWQMRYICH-UHFFFAOYSA-N 1 2 342.487 3.899 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000615328941 1123779649 /nfs/dbraw/zinc/77/96/49/1123779649.db2.gz HWUHHOPMWVTUMH-KBPBESRZSA-N 1 2 338.411 3.764 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000081389886 1123798556 /nfs/dbraw/zinc/79/85/56/1123798556.db2.gz WSYXHNHZUBMHTD-HNNXBMFYSA-N 1 2 333.391 3.608 20 0 EHADLO COc1cccc(N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000615453590 1123802931 /nfs/dbraw/zinc/80/29/31/1123802931.db2.gz DXCTUJZIRAQXSQ-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccc1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000081458740 1123816204 /nfs/dbraw/zinc/81/62/04/1123816204.db2.gz SMJDNLCROSKSOG-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)[C@H]1c1ccccc1 ZINC000245433540 1123825600 /nfs/dbraw/zinc/82/56/00/1123825600.db2.gz PHVDHMLRCKJCFD-SCLBCKFNSA-N 1 2 346.377 3.920 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)[C@H]1c1ccccc1 ZINC000245433540 1123825604 /nfs/dbraw/zinc/82/56/04/1123825604.db2.gz PHVDHMLRCKJCFD-SCLBCKFNSA-N 1 2 346.377 3.920 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1occc1Br ZINC000081728304 1123885099 /nfs/dbraw/zinc/88/50/99/1123885099.db2.gz WOZOICWXEMVQTM-UHFFFAOYSA-N 1 2 332.157 3.685 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)CC)c1nc(C(F)(F)F)cs1 ZINC000245593692 1123888109 /nfs/dbraw/zinc/88/81/09/1123888109.db2.gz BJRCZUOIWQMHNH-LPEHRKFASA-N 1 2 337.411 3.506 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000245958023 1123989844 /nfs/dbraw/zinc/98/98/44/1123989844.db2.gz RDWUPDUMQABFPS-IPMKNSEASA-N 1 2 337.467 3.630 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC000616717041 1124022751 /nfs/dbraw/zinc/02/27/51/1124022751.db2.gz DDJUHIMGEZSRRE-HUUCEWRRSA-N 1 2 345.418 3.726 20 0 EHADLO COc1ccc(CCC[N@H+](C)Cn2ncn(C(C)(C)C)c2=S)cc1 ZINC000068873439 1124047105 /nfs/dbraw/zinc/04/71/05/1124047105.db2.gz HCFSKRHPZWAZLN-UHFFFAOYSA-N 1 2 348.516 3.700 20 0 EHADLO COc1ccc(CCC[N@@H+](C)Cn2ncn(C(C)(C)C)c2=S)cc1 ZINC000068873439 1124047110 /nfs/dbraw/zinc/04/71/10/1124047110.db2.gz HCFSKRHPZWAZLN-UHFFFAOYSA-N 1 2 348.516 3.700 20 0 EHADLO Cc1cccc(C)c1[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617173511 1124098760 /nfs/dbraw/zinc/09/87/60/1124098760.db2.gz FBCRBIJIUNVFPU-GOSISDBHSA-N 1 2 337.467 3.742 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(F)ccc3OC(C)C)[nH+]c12 ZINC000066432898 1129169369 /nfs/dbraw/zinc/16/93/69/1129169369.db2.gz ZVVSCGDHNKZKEV-UHFFFAOYSA-N 1 2 341.386 3.750 20 0 EHADLO Cc1ccc2cccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)c2n1 ZINC000066461945 1129174152 /nfs/dbraw/zinc/17/41/52/1129174152.db2.gz UAYIPXBFAAQJFD-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO C[C@@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C(C)(C)C ZINC000734534735 1131248905 /nfs/dbraw/zinc/24/89/05/1131248905.db2.gz OPOGFAWWDKIKKH-YFWYWMRJSA-N 1 2 343.515 3.709 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407472 1124525875 /nfs/dbraw/zinc/52/58/75/1124525875.db2.gz PEJKTRHFMNHTOP-UHFFFAOYSA-N 1 2 325.456 3.749 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407472 1124525878 /nfs/dbraw/zinc/52/58/78/1124525878.db2.gz PEJKTRHFMNHTOP-UHFFFAOYSA-N 1 2 325.456 3.749 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000248087550 1124639554 /nfs/dbraw/zinc/63/95/54/1124639554.db2.gz FOYKFWYVEWCDMN-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000248384298 1124653699 /nfs/dbraw/zinc/65/36/99/1124653699.db2.gz DKDWNSZPOHSASZ-BEFAXECRSA-N 1 2 331.435 3.640 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000248384298 1124653700 /nfs/dbraw/zinc/65/37/00/1124653700.db2.gz DKDWNSZPOHSASZ-BEFAXECRSA-N 1 2 331.435 3.640 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000248560246 1124673177 /nfs/dbraw/zinc/67/31/77/1124673177.db2.gz MQYIUYLIGBLGPU-HZPDHXFCSA-N 1 2 341.398 3.619 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000248560246 1124673181 /nfs/dbraw/zinc/67/31/81/1124673181.db2.gz MQYIUYLIGBLGPU-HZPDHXFCSA-N 1 2 341.398 3.619 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000248924294 1124720441 /nfs/dbraw/zinc/72/04/41/1124720441.db2.gz XMQIXWVXLVUBAO-GXFFZTMASA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000248924294 1124720463 /nfs/dbraw/zinc/72/04/63/1124720463.db2.gz XMQIXWVXLVUBAO-GXFFZTMASA-N 1 2 346.254 3.633 20 0 EHADLO CC[C@H](C[N@H+](CC)[C@@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000249462985 1124757378 /nfs/dbraw/zinc/75/73/78/1124757378.db2.gz RJRDEIFKUOPOSO-VQIMIIECSA-N 1 2 326.440 3.811 20 0 EHADLO CC[C@H](C[N@@H+](CC)[C@@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000249462985 1124757380 /nfs/dbraw/zinc/75/73/80/1124757380.db2.gz RJRDEIFKUOPOSO-VQIMIIECSA-N 1 2 326.440 3.811 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181337161 1124770401 /nfs/dbraw/zinc/77/04/01/1124770401.db2.gz YFEUFVNMIUXLJH-UHFFFAOYSA-N 1 2 345.855 3.896 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000091624460 1124993520 /nfs/dbraw/zinc/99/35/20/1124993520.db2.gz PNWASHWCAQXHPI-INIZCTEOSA-N 1 2 347.480 3.977 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000091624460 1124993525 /nfs/dbraw/zinc/99/35/25/1124993525.db2.gz PNWASHWCAQXHPI-INIZCTEOSA-N 1 2 347.480 3.977 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000069797370 1125062084 /nfs/dbraw/zinc/06/20/84/1125062084.db2.gz PJZZVDPRJVSISI-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000069797370 1125062090 /nfs/dbraw/zinc/06/20/90/1125062090.db2.gz PJZZVDPRJVSISI-UHFFFAOYSA-N 1 2 336.530 3.716 20 0 EHADLO CCSCc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000619109731 1125276538 /nfs/dbraw/zinc/27/65/38/1125276538.db2.gz OBHPTTPZEMNBOE-UHFFFAOYSA-N 1 2 340.492 3.685 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccc(F)c(C)c4)C3)n2c1 ZINC000093637839 1125279272 /nfs/dbraw/zinc/27/92/72/1125279272.db2.gz HQIVZNVRIPZWMY-IBGZPJMESA-N 1 2 339.414 3.664 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)sc1C ZINC000182682325 1125353564 /nfs/dbraw/zinc/35/35/64/1125353564.db2.gz SLHCVYAXQXXPNW-UHFFFAOYSA-N 1 2 344.436 3.597 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCCCCNc1cccc[nH+]1 ZINC000255018329 1125362530 /nfs/dbraw/zinc/36/25/30/1125362530.db2.gz NGAILRGLXHSEKL-PTNGSMBKSA-N 1 2 327.453 3.696 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000619682241 1125381834 /nfs/dbraw/zinc/38/18/34/1125381834.db2.gz NCEBPIRRBTWQJK-MOPGFXCFSA-N 1 2 340.471 3.689 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000153179687 1125447865 /nfs/dbraw/zinc/44/78/65/1125447865.db2.gz FKNZBPXKRXEZSM-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000348540015 1129187978 /nfs/dbraw/zinc/18/79/78/1129187978.db2.gz RHQKIJADBVLQOY-LSDHHAIUSA-N 1 2 345.874 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000348540015 1129187981 /nfs/dbraw/zinc/18/79/81/1129187981.db2.gz RHQKIJADBVLQOY-LSDHHAIUSA-N 1 2 345.874 3.741 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000338807166 1129205446 /nfs/dbraw/zinc/20/54/46/1129205446.db2.gz CNSKUJGPPCCJSP-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ncsc1-c1ccccc1 ZINC000682156765 1129209211 /nfs/dbraw/zinc/20/92/11/1129209211.db2.gz VDEWSNFATCQMBG-UHFFFAOYSA-N 1 2 349.459 3.556 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCc4cc(F)cc(C)c43)[nH+]c12 ZINC000066786391 1129210558 /nfs/dbraw/zinc/21/05/58/1129210558.db2.gz QVXBNKWNCJZAIY-UHFFFAOYSA-N 1 2 337.398 3.612 20 0 EHADLO O=C(C1=CCCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282335009 1129229187 /nfs/dbraw/zinc/22/91/87/1129229187.db2.gz OHKYHFVLPMTJGU-KRWDZBQOSA-N 1 2 327.472 3.816 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000682993696 1129257444 /nfs/dbraw/zinc/25/74/44/1129257444.db2.gz DUTXXKMOCSALEV-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1ccc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)cn1 ZINC000357699588 1129294084 /nfs/dbraw/zinc/29/40/84/1129294084.db2.gz MPAHIXKYKCLWIO-UHFFFAOYSA-N 1 2 329.297 3.676 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000079938886 1129308616 /nfs/dbraw/zinc/30/86/16/1129308616.db2.gz AVNLHOHDKGIJOZ-UHFFFAOYSA-N 1 2 344.484 3.572 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000067972584 1129327655 /nfs/dbraw/zinc/32/76/55/1129327655.db2.gz ADKZSNQGRWBDOE-INIZCTEOSA-N 1 2 337.467 3.533 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000068256099 1129356156 /nfs/dbraw/zinc/35/61/56/1129356156.db2.gz PMZYZYQXQVHBBE-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO COc1c(Br)cccc1C[N@H+](C)Cc1cnc(C)s1 ZINC000172924977 1129366967 /nfs/dbraw/zinc/36/69/67/1129366967.db2.gz IGSFSWGSLGVKBI-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1c(Br)cccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000172924977 1129366971 /nfs/dbraw/zinc/36/69/71/1129366971.db2.gz IGSFSWGSLGVKBI-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1ccsc1 ZINC000068407258 1129368831 /nfs/dbraw/zinc/36/88/31/1129368831.db2.gz QXRZNPGYDZCBCJ-GOSISDBHSA-N 1 2 341.480 3.610 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCCCCC2)O1)C(C)(C)C ZINC001307557247 1129386009 /nfs/dbraw/zinc/38/60/09/1129386009.db2.gz MDFYAKXOCUOINN-JKSUJKDBSA-N 1 2 325.493 3.826 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000081316157 1129413185 /nfs/dbraw/zinc/41/31/85/1129413185.db2.gz ZKJUCIQVXRUUJQ-SFHVURJKSA-N 1 2 344.418 3.615 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318368 1129413721 /nfs/dbraw/zinc/41/37/21/1129413721.db2.gz FEQSEUHCAPBHQV-SJLPKXTDSA-N 1 2 327.472 3.892 20 0 EHADLO Fc1ccc(OC(F)F)c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922263891 1129416882 /nfs/dbraw/zinc/41/68/82/1129416882.db2.gz KAWHJYUHPCUTDY-UHFFFAOYSA-N 1 2 345.752 3.971 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC000673447451 1129426445 /nfs/dbraw/zinc/42/64/45/1129426445.db2.gz XHKALKBHLTVEHG-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO O=C(CC1CCCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673472188 1129443142 /nfs/dbraw/zinc/44/31/42/1129443142.db2.gz UWBRAAUHTAGMMP-UHFFFAOYSA-N 1 2 349.544 3.968 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccccc1 ZINC000499752399 1129456474 /nfs/dbraw/zinc/45/64/74/1129456474.db2.gz OEQLGZJKOHIEAP-OXJNMPFZSA-N 1 2 340.467 3.956 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cccc(C(=O)N(C)C)c1 ZINC000922327793 1129471755 /nfs/dbraw/zinc/47/17/55/1129471755.db2.gz AHRAUNNYCRCRBH-UHFFFAOYSA-N 1 2 336.439 3.760 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000118421059 1129508300 /nfs/dbraw/zinc/50/83/00/1129508300.db2.gz QEASPOVTQXASQM-KBXCAEBGSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000118421059 1129508302 /nfs/dbraw/zinc/50/83/02/1129508302.db2.gz QEASPOVTQXASQM-KBXCAEBGSA-N 1 2 346.521 3.543 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000922457218 1129538886 /nfs/dbraw/zinc/53/88/86/1129538886.db2.gz IYVYJCMBIZCRIX-UHFFFAOYSA-N 1 2 345.244 3.504 20 0 EHADLO Cc1cccn2c(CNc3ccc(N(C)C(=O)C4CC4)cc3)c[nH+]c12 ZINC000922564852 1129573850 /nfs/dbraw/zinc/57/38/50/1129573850.db2.gz HNBHYOTVRJHBHQ-UHFFFAOYSA-N 1 2 334.423 3.628 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC ZINC000922578926 1129579777 /nfs/dbraw/zinc/57/97/77/1129579777.db2.gz FSJDJGMCPFAOSV-IFXJQAMLSA-N 1 2 341.455 3.903 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1Cl ZINC000347728607 1129631030 /nfs/dbraw/zinc/63/10/30/1129631030.db2.gz NDAQOSYIAFIIHP-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1Cl ZINC000347728607 1129631033 /nfs/dbraw/zinc/63/10/33/1129631033.db2.gz NDAQOSYIAFIIHP-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)nc1 ZINC000347755392 1129689595 /nfs/dbraw/zinc/68/95/95/1129689595.db2.gz RYQXLAUHQNTYIB-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1cccc(O)c1)Cc1ccccc1Cl ZINC000509096774 1129744770 /nfs/dbraw/zinc/74/47/70/1129744770.db2.gz LVRFWTOQRDHVLF-AWEZNQCLSA-N 1 2 346.858 3.745 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1cccc(O)c1)Cc1ccccc1Cl ZINC000509096774 1129744774 /nfs/dbraw/zinc/74/47/74/1129744774.db2.gz LVRFWTOQRDHVLF-AWEZNQCLSA-N 1 2 346.858 3.745 20 0 EHADLO CCc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000347781057 1129767838 /nfs/dbraw/zinc/76/78/38/1129767838.db2.gz LYQODLXKILGJOP-HNNXBMFYSA-N 1 2 345.437 3.801 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000625276123 1129797958 /nfs/dbraw/zinc/79/79/58/1129797958.db2.gz LVTTWZGHRYEJFT-UHFFFAOYSA-N 1 2 338.455 3.787 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000673725619 1129811586 /nfs/dbraw/zinc/81/15/86/1129811586.db2.gz VUBHFZZGRQUPKC-IRXDYDNUSA-N 1 2 325.456 3.540 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000073895613 1129812890 /nfs/dbraw/zinc/81/28/90/1129812890.db2.gz IHXJLZSLEOASJX-LJQANCHMSA-N 1 2 326.444 3.594 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccncc2Br)C1 ZINC000625323708 1129831830 /nfs/dbraw/zinc/83/18/30/1129831830.db2.gz IZLZAWDGXYMRMO-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccncc2Br)C1 ZINC000625323708 1129831831 /nfs/dbraw/zinc/83/18/31/1129831831.db2.gz IZLZAWDGXYMRMO-MLGOLLRUSA-N 1 2 332.245 3.822 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776557 1129844768 /nfs/dbraw/zinc/84/47/68/1129844768.db2.gz IBNIPLBICHTYPQ-QAPCUYQASA-N 1 2 342.487 3.795 20 0 EHADLO c1cn(-c2ccc(-c3ccc(NC(C4CC4)C4CC4)nn3)cc2)c[nH+]1 ZINC001168743779 1129872629 /nfs/dbraw/zinc/87/26/29/1129872629.db2.gz NRTCRFWWUXPFAH-UHFFFAOYSA-N 1 2 331.423 3.930 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429165364 1129908904 /nfs/dbraw/zinc/90/89/04/1129908904.db2.gz FHBOWRFELYCKIR-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429165364 1129908905 /nfs/dbraw/zinc/90/89/05/1129908905.db2.gz FHBOWRFELYCKIR-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000347863997 1129943337 /nfs/dbraw/zinc/94/33/37/1129943337.db2.gz XQNTYGMDOSVARD-XYOKQWHBSA-N 1 2 336.361 3.524 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2nc(C)nc2C1 ZINC000347863997 1129943339 /nfs/dbraw/zinc/94/33/39/1129943339.db2.gz XQNTYGMDOSVARD-XYOKQWHBSA-N 1 2 336.361 3.524 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(C)c1OC ZINC000347873422 1129953205 /nfs/dbraw/zinc/95/32/05/1129953205.db2.gz VIPOOQMFGFAJHO-SFHVURJKSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(C)c1OC ZINC000347873422 1129953207 /nfs/dbraw/zinc/95/32/07/1129953207.db2.gz VIPOOQMFGFAJHO-SFHVURJKSA-N 1 2 327.424 3.586 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009642 1129956604 /nfs/dbraw/zinc/95/66/04/1129956604.db2.gz LKNFNBWFLWYBFD-QRWLVFNGSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009642 1129956606 /nfs/dbraw/zinc/95/66/06/1129956606.db2.gz LKNFNBWFLWYBFD-QRWLVFNGSA-N 1 2 338.426 3.940 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009274 1129956647 /nfs/dbraw/zinc/95/66/47/1129956647.db2.gz GHSUJLOWJFUGKX-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009274 1129956648 /nfs/dbraw/zinc/95/66/48/1129956648.db2.gz GHSUJLOWJFUGKX-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(F)c1 ZINC000625645041 1129966727 /nfs/dbraw/zinc/96/67/27/1129966727.db2.gz DQZJLAFKKBBGMC-UPJWGTAASA-N 1 2 328.378 3.684 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H](C)C1(F)F ZINC000625649015 1129967781 /nfs/dbraw/zinc/96/77/81/1129967781.db2.gz JRFIGVGZAXCPQU-ZOWXZIJZSA-N 1 2 342.817 3.668 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H](C)C1(F)F ZINC000625649015 1129967783 /nfs/dbraw/zinc/96/77/83/1129967783.db2.gz JRFIGVGZAXCPQU-ZOWXZIJZSA-N 1 2 342.817 3.668 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000466633312 1129994505 /nfs/dbraw/zinc/99/45/05/1129994505.db2.gz FIAAXNBXQQWAKW-UHFFFAOYSA-N 1 2 345.878 3.829 20 0 EHADLO COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674092493 1130001743 /nfs/dbraw/zinc/00/17/43/1130001743.db2.gz JCCOZIXOKMRMHK-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171051014 1130004562 /nfs/dbraw/zinc/00/45/62/1130004562.db2.gz ONOHSQYGEQJEKB-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)OCc3ncc(C(C)(C)C)s3)ccn12 ZINC001128627168 1130015720 /nfs/dbraw/zinc/01/57/20/1130015720.db2.gz ZAGGVKIXEBKLCV-UHFFFAOYSA-N 1 2 329.425 3.754 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674372036 1130078129 /nfs/dbraw/zinc/07/81/29/1130078129.db2.gz XGKXNNWLFJKYHT-RHSMWYFYSA-N 1 2 342.468 3.578 20 0 EHADLO Cc1cc(N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000674410561 1130086365 /nfs/dbraw/zinc/08/63/65/1130086365.db2.gz IWBVTNNETPMSBJ-AOOOYVTPSA-N 1 2 339.283 3.839 20 0 EHADLO CC(C)(C)C(C)(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000509227101 1130091978 /nfs/dbraw/zinc/09/19/78/1130091978.db2.gz MSWBWHBREMHRNJ-UHFFFAOYSA-N 1 2 331.504 3.998 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001212519668 1130104953 /nfs/dbraw/zinc/10/49/53/1130104953.db2.gz BZDFMKOVGUACBX-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccccc2[nH]1 ZINC000674505488 1130112184 /nfs/dbraw/zinc/11/21/84/1130112184.db2.gz JFQZAQHLHUKQLE-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccccc2[nH]1 ZINC000674505488 1130112188 /nfs/dbraw/zinc/11/21/88/1130112188.db2.gz JFQZAQHLHUKQLE-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO CC[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccccc1C ZINC000674569260 1130135010 /nfs/dbraw/zinc/13/50/10/1130135010.db2.gz VTJQLWUQHVULHG-INIZCTEOSA-N 1 2 338.411 3.622 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2cccc(F)c2)c1C ZINC000172511185 1130140937 /nfs/dbraw/zinc/14/09/37/1130140937.db2.gz GESZRHZIHCPJIU-UHFFFAOYSA-N 1 2 344.430 3.782 20 0 EHADLO Clc1ccc(Br)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001137830551 1130146812 /nfs/dbraw/zinc/14/68/12/1130146812.db2.gz IYSVKBQKXWPQDI-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(Br)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001137830551 1130146816 /nfs/dbraw/zinc/14/68/16/1130146816.db2.gz IYSVKBQKXWPQDI-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)c(OCCC(C)C)c1 ZINC000674810660 1130197779 /nfs/dbraw/zinc/19/77/79/1130197779.db2.gz KWTDANGZLMXQLO-UHFFFAOYSA-N 1 2 343.471 3.713 20 0 EHADLO CCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2OC(F)F)nn1 ZINC000658175189 1130233538 /nfs/dbraw/zinc/23/35/38/1130233538.db2.gz CGGRFPNHRHIGOB-GFCCVEGCSA-N 1 2 346.381 3.903 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nccc(OC)c3F)oc21 ZINC000658228210 1130287483 /nfs/dbraw/zinc/28/74/83/1130287483.db2.gz OWTMJNMSFGKWRT-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCCC1 ZINC001128970192 1130294045 /nfs/dbraw/zinc/29/40/45/1130294045.db2.gz CYXBJZPHSAODDC-MOPGFXCFSA-N 1 2 346.540 3.862 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675255141 1130298191 /nfs/dbraw/zinc/29/81/91/1130298191.db2.gz HCANEMRFPBALRF-LRDDRELGSA-N 1 2 341.386 3.800 20 0 EHADLO Fc1c(Cl)cc(C(F)(F)F)cc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212536636 1130322804 /nfs/dbraw/zinc/32/28/04/1130322804.db2.gz SIPINOLHIJLRCM-UHFFFAOYSA-N 1 2 346.671 3.793 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)s1 ZINC000246751840 1130409702 /nfs/dbraw/zinc/40/97/02/1130409702.db2.gz NICKXBBLPYYQSP-SNPRPXQTSA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)s1 ZINC000246751840 1130409703 /nfs/dbraw/zinc/40/97/03/1130409703.db2.gz NICKXBBLPYYQSP-SNPRPXQTSA-N 1 2 337.533 3.702 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccc(C)nc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000675515590 1130417567 /nfs/dbraw/zinc/41/75/67/1130417567.db2.gz FWSLAJOYIUBYJS-OAHLLOKOSA-N 1 2 336.439 3.840 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccc(C)nc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000675515590 1130417574 /nfs/dbraw/zinc/41/75/74/1130417574.db2.gz FWSLAJOYIUBYJS-OAHLLOKOSA-N 1 2 336.439 3.840 20 0 EHADLO FC(F)(F)c1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675633306 1130441247 /nfs/dbraw/zinc/44/12/47/1130441247.db2.gz OGONEXKLTXIBPJ-INIZCTEOSA-N 1 2 346.356 3.745 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000675808267 1130483512 /nfs/dbraw/zinc/48/35/12/1130483512.db2.gz QGMPOSWVDSCTGW-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000675808267 1130483518 /nfs/dbraw/zinc/48/35/18/1130483518.db2.gz QGMPOSWVDSCTGW-ZDUSSCGKSA-N 1 2 328.366 3.739 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000675893254 1130497436 /nfs/dbraw/zinc/49/74/36/1130497436.db2.gz CNBXCTUEWBWGGW-UHFFFAOYSA-N 1 2 331.847 3.902 20 0 EHADLO Cc1cc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)nn1C ZINC000676029106 1130518931 /nfs/dbraw/zinc/51/89/31/1130518931.db2.gz XYHDHZRWTVRYFI-UHFFFAOYSA-N 1 2 327.378 3.886 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000706001606 1130549793 /nfs/dbraw/zinc/54/97/93/1130549793.db2.gz RBRQRCIRICYSAD-FPMFFAJLSA-N 1 2 337.370 3.578 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000535265582 1130587809 /nfs/dbraw/zinc/58/78/09/1130587809.db2.gz KEWMYZQVMAKEFS-KRWDZBQOSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000535265582 1130587811 /nfs/dbraw/zinc/58/78/11/1130587811.db2.gz KEWMYZQVMAKEFS-KRWDZBQOSA-N 1 2 349.247 3.865 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)n1CCc1cccs1 ZINC000727819874 1130600768 /nfs/dbraw/zinc/60/07/68/1130600768.db2.gz OCHAKPIAFBNPQE-CYBMUJFWSA-N 1 2 338.546 3.961 20 0 EHADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)n1CCc1cccs1 ZINC000727819874 1130600773 /nfs/dbraw/zinc/60/07/73/1130600773.db2.gz OCHAKPIAFBNPQE-CYBMUJFWSA-N 1 2 338.546 3.961 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000727825656 1130601735 /nfs/dbraw/zinc/60/17/35/1130601735.db2.gz XDXJMCCAPLLSRI-AWEZNQCLSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000727825656 1130601737 /nfs/dbraw/zinc/60/17/37/1130601737.db2.gz XDXJMCCAPLLSRI-AWEZNQCLSA-N 1 2 333.457 3.925 20 0 EHADLO S=C(NCCNc1cccc[nH+]1)Nc1ccc(Cl)c(Cl)c1 ZINC000730592937 1130721819 /nfs/dbraw/zinc/72/18/19/1130721819.db2.gz GYUMLDDSZFNHAI-UHFFFAOYSA-N 1 2 341.267 3.787 20 0 EHADLO C[C@H]1C[N@H+](Cn2c(-c3ccccn3)csc2=O)Cc2ccccc21 ZINC000731658276 1130824456 /nfs/dbraw/zinc/82/44/56/1130824456.db2.gz ZNLZVMDTIXQXRY-AWEZNQCLSA-N 1 2 337.448 3.549 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c(-c3ccccn3)csc2=O)Cc2ccccc21 ZINC000731658276 1130824462 /nfs/dbraw/zinc/82/44/62/1130824462.db2.gz ZNLZVMDTIXQXRY-AWEZNQCLSA-N 1 2 337.448 3.549 20 0 EHADLO c1ccc(CSCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000731918384 1130861105 /nfs/dbraw/zinc/86/11/05/1130861105.db2.gz JXKMNEDIQDPBMF-UHFFFAOYSA-N 1 2 328.485 3.812 20 0 EHADLO c1ccc(CSCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000731918384 1130861113 /nfs/dbraw/zinc/86/11/13/1130861113.db2.gz JXKMNEDIQDPBMF-UHFFFAOYSA-N 1 2 328.485 3.812 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2ncn(CC)c2=S)cc1 ZINC000732526480 1130932040 /nfs/dbraw/zinc/93/20/40/1130932040.db2.gz GRZVMOVQMDGQRM-MRXNPFEDSA-N 1 2 332.473 3.627 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cn2ncn(CC)c2=S)cc1 ZINC000732526480 1130932044 /nfs/dbraw/zinc/93/20/44/1130932044.db2.gz GRZVMOVQMDGQRM-MRXNPFEDSA-N 1 2 332.473 3.627 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000732809077 1130958806 /nfs/dbraw/zinc/95/88/06/1130958806.db2.gz QTOUGFUZQYYVPM-ZDUSSCGKSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000732809077 1130958811 /nfs/dbraw/zinc/95/88/11/1130958811.db2.gz QTOUGFUZQYYVPM-ZDUSSCGKSA-N 1 2 341.282 3.970 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NCc1ccc(F)cc1 ZINC000732986435 1130979421 /nfs/dbraw/zinc/97/94/21/1130979421.db2.gz LQHWZYNXUXUWEZ-GOSISDBHSA-N 1 2 348.368 3.557 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NCc1ccc(F)cc1 ZINC000732986435 1130979425 /nfs/dbraw/zinc/97/94/25/1130979425.db2.gz LQHWZYNXUXUWEZ-GOSISDBHSA-N 1 2 348.368 3.557 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)NCCCCn3cc[nH+]c3)ccc2c1 ZINC000733166532 1131002938 /nfs/dbraw/zinc/00/29/38/1131002938.db2.gz OFOGCBJRVNHFIA-UITAMQMPSA-N 1 2 349.434 3.655 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)C(C)(C)n3c[nH+]c(C)c3)cc2O1 ZINC000822679075 1131009059 /nfs/dbraw/zinc/00/90/59/1131009059.db2.gz SMPVMNWTKXYCLN-UHFFFAOYSA-N 1 2 343.427 3.853 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000733307524 1131020213 /nfs/dbraw/zinc/02/02/13/1131020213.db2.gz BAAAYBZJDGGQTQ-CQSZACIVSA-N 1 2 337.464 3.535 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000733307524 1131020218 /nfs/dbraw/zinc/02/02/18/1131020218.db2.gz BAAAYBZJDGGQTQ-CQSZACIVSA-N 1 2 337.464 3.535 20 0 EHADLO CCn1cc(C[N@H+](C)Cn2c(=S)oc3ccc(Cl)cc32)cn1 ZINC000733790279 1131079764 /nfs/dbraw/zinc/07/97/64/1131079764.db2.gz JMYOGPRXSFJYDW-UHFFFAOYSA-N 1 2 336.848 3.923 20 0 EHADLO CCn1cc(C[N@@H+](C)Cn2c(=S)oc3ccc(Cl)cc32)cn1 ZINC000733790279 1131079770 /nfs/dbraw/zinc/07/97/70/1131079770.db2.gz JMYOGPRXSFJYDW-UHFFFAOYSA-N 1 2 336.848 3.923 20 0 EHADLO COCCCn1nccc1C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000282565107 1131095978 /nfs/dbraw/zinc/09/59/78/1131095978.db2.gz DUOGXCBJBCTKED-GFCCVEGCSA-N 1 2 325.815 3.563 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282570948 1131100833 /nfs/dbraw/zinc/10/08/33/1131100833.db2.gz YVKABHLTIMHHPB-MRVPVSSYSA-N 1 2 344.230 3.741 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347951575 1131102337 /nfs/dbraw/zinc/10/23/37/1131102337.db2.gz BEIPZYWHPAIUJF-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2cccc(F)c2C1 ZINC000347951575 1131102340 /nfs/dbraw/zinc/10/23/40/1131102340.db2.gz BEIPZYWHPAIUJF-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO O=C(CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000348013189 1131127145 /nfs/dbraw/zinc/12/71/45/1131127145.db2.gz YPWKXMRBHIDSRZ-UHFFFAOYSA-N 1 2 349.409 3.643 20 0 EHADLO O=C(CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000348013189 1131127148 /nfs/dbraw/zinc/12/71/48/1131127148.db2.gz YPWKXMRBHIDSRZ-UHFFFAOYSA-N 1 2 349.409 3.643 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348046372 1131136773 /nfs/dbraw/zinc/13/67/73/1131136773.db2.gz OBJFTXFGJVXQNL-ZDUSSCGKSA-N 1 2 330.457 3.994 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000626093221 1131153433 /nfs/dbraw/zinc/15/34/33/1131153433.db2.gz UXTKSPLVVDDQRE-SCLBCKFNSA-N 1 2 338.455 3.689 20 0 EHADLO CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733968029 1131177851 /nfs/dbraw/zinc/17/78/51/1131177851.db2.gz OCFHHLPFGVZXLL-UHFFFAOYSA-N 1 2 336.395 3.571 20 0 EHADLO Clc1ccc2[nH+]ccc(NCc3nnc(-c4ccccc4)[nH]3)c2c1 ZINC000734141187 1131203509 /nfs/dbraw/zinc/20/35/09/1131203509.db2.gz MXCQIRLSWCLTNV-UHFFFAOYSA-N 1 2 335.798 3.707 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2c(cccc2F)s1 ZINC000734359021 1131224704 /nfs/dbraw/zinc/22/47/04/1131224704.db2.gz SDYICKAEMIEONZ-UHFFFAOYSA-N 1 2 329.400 3.667 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3nc4ccccc4nc3C)CCO2)c1 ZINC000177911059 1131225236 /nfs/dbraw/zinc/22/52/36/1131225236.db2.gz QWSQLGCNKVGDAW-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3nc4ccccc4nc3C)CCO2)c1 ZINC000177911059 1131225242 /nfs/dbraw/zinc/22/52/42/1131225242.db2.gz QWSQLGCNKVGDAW-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(C)c(C)c2)oc1=S ZINC000738077269 1131460472 /nfs/dbraw/zinc/46/04/72/1131460472.db2.gz RRMJZZUGUIKTIL-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(C)c(C)c2)oc1=S ZINC000738077269 1131460476 /nfs/dbraw/zinc/46/04/76/1131460476.db2.gz RRMJZZUGUIKTIL-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059313 1131461962 /nfs/dbraw/zinc/46/19/62/1131461962.db2.gz XKPIHBVLMSMHKZ-BEFAXECRSA-N 1 2 343.446 3.908 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059313 1131461965 /nfs/dbraw/zinc/46/19/65/1131461965.db2.gz XKPIHBVLMSMHKZ-BEFAXECRSA-N 1 2 343.446 3.908 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@@H](C(C)C)CC3)c2=S)n1 ZINC000738237582 1131465787 /nfs/dbraw/zinc/46/57/87/1131465787.db2.gz AHQSFQIFZZGXNE-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@@H](C(C)C)CC3)c2=S)n1 ZINC000738237582 1131465791 /nfs/dbraw/zinc/46/57/91/1131465791.db2.gz AHQSFQIFZZGXNE-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO CC[C@@H](c1nn(C[N@@H+]2CC[C@@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866913 1131512115 /nfs/dbraw/zinc/51/21/15/1131512115.db2.gz IGPLKYNQYWOMTM-GDBMZVCRSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@@H](c1nn(C[N@H+]2CC[C@@H](COC)C2)c(=S)o1)c1ccccc1 ZINC000739866913 1131512119 /nfs/dbraw/zinc/51/21/19/1131512119.db2.gz IGPLKYNQYWOMTM-GDBMZVCRSA-N 1 2 347.484 3.673 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000740853994 1131548703 /nfs/dbraw/zinc/54/87/03/1131548703.db2.gz JZBNHKUVXGYLAV-YLJYHZDGSA-N 1 2 346.446 3.731 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000740853994 1131548704 /nfs/dbraw/zinc/54/87/04/1131548704.db2.gz JZBNHKUVXGYLAV-YLJYHZDGSA-N 1 2 346.446 3.731 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860519 1131549777 /nfs/dbraw/zinc/54/97/77/1131549777.db2.gz QCDJRSCKADTMGS-RYUDHWBXSA-N 1 2 349.456 3.578 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)c1 ZINC000740860519 1131549780 /nfs/dbraw/zinc/54/97/80/1131549780.db2.gz QCDJRSCKADTMGS-RYUDHWBXSA-N 1 2 349.456 3.578 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741144942 1131578462 /nfs/dbraw/zinc/57/84/62/1131578462.db2.gz HGRFCBKUMGJQRD-MPGHIAIKSA-N 1 2 346.471 3.555 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741144942 1131578467 /nfs/dbraw/zinc/57/84/67/1131578467.db2.gz HGRFCBKUMGJQRD-MPGHIAIKSA-N 1 2 346.471 3.555 20 0 EHADLO CCc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000741349271 1131598091 /nfs/dbraw/zinc/59/80/91/1131598091.db2.gz BOCADSYRPIAULT-KRWDZBQOSA-N 1 2 344.480 3.803 20 0 EHADLO CCc1nc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000741349271 1131598095 /nfs/dbraw/zinc/59/80/95/1131598095.db2.gz BOCADSYRPIAULT-KRWDZBQOSA-N 1 2 344.480 3.803 20 0 EHADLO CC[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380508 1131600448 /nfs/dbraw/zinc/60/04/48/1131600448.db2.gz BWWBFVKNEBCJMZ-VQTJNVASSA-N 1 2 339.435 3.582 20 0 EHADLO CC[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380508 1131600450 /nfs/dbraw/zinc/60/04/50/1131600450.db2.gz BWWBFVKNEBCJMZ-VQTJNVASSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783164 1131647230 /nfs/dbraw/zinc/64/72/30/1131647230.db2.gz JZGOKDZFUVYLPD-HIFRSBDPSA-N 1 2 346.377 3.983 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741783164 1131647233 /nfs/dbraw/zinc/64/72/33/1131647233.db2.gz JZGOKDZFUVYLPD-HIFRSBDPSA-N 1 2 346.377 3.983 20 0 EHADLO COC(=O)C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000741789502 1131648617 /nfs/dbraw/zinc/64/86/17/1131648617.db2.gz HOKXDSKRGCWOPA-KRWDZBQOSA-N 1 2 347.418 3.539 20 0 EHADLO CCCCNC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741875085 1131662815 /nfs/dbraw/zinc/66/28/15/1131662815.db2.gz LJSSJODPIIKDQG-CQSZACIVSA-N 1 2 339.936 3.693 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc2c(C)c1 ZINC000742238189 1131699964 /nfs/dbraw/zinc/69/99/64/1131699964.db2.gz WUKZVJJUBMHHFS-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc2c(C)c1 ZINC000742238189 1131699966 /nfs/dbraw/zinc/69/99/66/1131699966.db2.gz WUKZVJJUBMHHFS-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cs1 ZINC000742369008 1131711303 /nfs/dbraw/zinc/71/13/03/1131711303.db2.gz UWJZAYXZRPCPMR-ZDUSSCGKSA-N 1 2 342.468 3.634 20 0 EHADLO CC(C)COCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172477993 1131737685 /nfs/dbraw/zinc/73/76/85/1131737685.db2.gz FVWZEFVZFAINFH-IAGOWNOFSA-N 1 2 332.479 3.633 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000742573586 1131751820 /nfs/dbraw/zinc/75/18/20/1131751820.db2.gz ODMXAQQOCFOCGQ-CYBMUJFWSA-N 1 2 333.457 3.773 20 0 EHADLO CC(C)COCC[C@@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172468152 1131754692 /nfs/dbraw/zinc/75/46/92/1131754692.db2.gz JMAZEJBBFHDAOK-LLVKDONJSA-N 1 2 347.322 3.715 20 0 EHADLO CC(C)COCC[C@@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172468152 1131754697 /nfs/dbraw/zinc/75/46/97/1131754697.db2.gz JMAZEJBBFHDAOK-LLVKDONJSA-N 1 2 347.322 3.715 20 0 EHADLO C[N@H+](CCc1c(F)cccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000742589506 1131755206 /nfs/dbraw/zinc/75/52/06/1131755206.db2.gz POYJKXCQONDPAZ-UHFFFAOYSA-N 1 2 345.805 3.802 20 0 EHADLO C[N@@H+](CCc1c(F)cccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000742589506 1131755212 /nfs/dbraw/zinc/75/52/12/1131755212.db2.gz POYJKXCQONDPAZ-UHFFFAOYSA-N 1 2 345.805 3.802 20 0 EHADLO Cc1c(Br)cccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668458 1131766579 /nfs/dbraw/zinc/76/65/79/1131766579.db2.gz ZKJMSJIWLXIPBE-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC001212669091 1131768988 /nfs/dbraw/zinc/76/89/88/1131768988.db2.gz GQOKIFUPCVQSJR-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO CC(C)Oc1cccc(F)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672056 1131787209 /nfs/dbraw/zinc/78/72/09/1131787209.db2.gz CMCJFPHGDDNJSA-UHFFFAOYSA-N 1 2 330.403 3.533 20 0 EHADLO CC(C)COc1cccc(F)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672821 1131791048 /nfs/dbraw/zinc/79/10/48/1131791048.db2.gz YPSLHSVNLPFKIR-UHFFFAOYSA-N 1 2 344.430 3.781 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 ZINC000743272205 1131889392 /nfs/dbraw/zinc/88/93/92/1131889392.db2.gz PFOXSWLZEYBNJM-UHFFFAOYSA-N 1 2 343.471 3.591 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000743349848 1131905461 /nfs/dbraw/zinc/90/54/61/1131905461.db2.gz WNGJVAJJYYRDLY-CQSZACIVSA-N 1 2 344.377 3.623 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000743349848 1131905469 /nfs/dbraw/zinc/90/54/69/1131905469.db2.gz WNGJVAJJYYRDLY-CQSZACIVSA-N 1 2 344.377 3.623 20 0 EHADLO COc1cccc(C[N@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000743347452 1131905982 /nfs/dbraw/zinc/90/59/82/1131905982.db2.gz PYDNWBCBZGMOPB-GOSISDBHSA-N 1 2 344.842 3.712 20 0 EHADLO COc1cccc(C[N@@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000743347452 1131905991 /nfs/dbraw/zinc/90/59/91/1131905991.db2.gz PYDNWBCBZGMOPB-GOSISDBHSA-N 1 2 344.842 3.712 20 0 EHADLO Cc1cnn(Cc2ccccn2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695217 1131925966 /nfs/dbraw/zinc/92/59/66/1131925966.db2.gz UEODWADEKMSEAS-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO OCc1cc(-c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)no1 ZINC001212699749 1131934726 /nfs/dbraw/zinc/93/47/26/1131934726.db2.gz AVIYTLJJBLYWSP-UHFFFAOYSA-N 1 2 346.390 3.822 20 0 EHADLO C[C@H](CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000743610877 1131950416 /nfs/dbraw/zinc/95/04/16/1131950416.db2.gz ASPQUVAQHCPLGD-WBVHZDCISA-N 1 2 342.487 3.685 20 0 EHADLO C[C@@H]1CC[C@H]([NH+]2CC(Oc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001173069314 1131953656 /nfs/dbraw/zinc/95/36/56/1131953656.db2.gz IVSQSSZNDJSLRF-CVEARBPZSA-N 1 2 346.471 3.538 20 0 EHADLO Fc1cc(Br)ccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000743705965 1131967447 /nfs/dbraw/zinc/96/74/47/1131967447.db2.gz VSCWENZQHHPBPI-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117777 1131972525 /nfs/dbraw/zinc/97/25/25/1131972525.db2.gz XNUNEWCMCAOXMX-LJQANCHMSA-N 1 2 345.483 3.573 20 0 EHADLO CCOC(=O)[C@H](CC)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000743844467 1131990411 /nfs/dbraw/zinc/99/04/11/1131990411.db2.gz NTXQCOUSXGDCAE-AWEZNQCLSA-N 1 2 338.517 3.962 20 0 EHADLO CCc1ccc(C[C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(=O)OC)cc1 ZINC001173241794 1132028965 /nfs/dbraw/zinc/02/89/65/1132028965.db2.gz QKXSTXPGHHTAGO-FOIQADDNSA-N 1 2 343.442 3.693 20 0 EHADLO Cc1cc(C(=O)N(C)C)ccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001212729074 1132072117 /nfs/dbraw/zinc/07/21/17/1132072117.db2.gz YAECJSWKRTYSBZ-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444493 1132101094 /nfs/dbraw/zinc/10/10/94/1132101094.db2.gz XMFNWJBHXNBNAL-YJBOKZPZSA-N 1 2 348.446 3.961 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444493 1132101097 /nfs/dbraw/zinc/10/10/97/1132101097.db2.gz XMFNWJBHXNBNAL-YJBOKZPZSA-N 1 2 348.446 3.961 20 0 EHADLO CC(=O)Nc1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001173830216 1132161403 /nfs/dbraw/zinc/16/14/03/1132161403.db2.gz OBNRZBILIWXBHR-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C(C)=O)cc1 ZINC001173896294 1132166154 /nfs/dbraw/zinc/16/61/54/1132166154.db2.gz QKAQMVVWNCQITD-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088747 1132190485 /nfs/dbraw/zinc/19/04/85/1132190485.db2.gz OHBRJXUFODUEEU-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088747 1132190492 /nfs/dbraw/zinc/19/04/92/1132190492.db2.gz OHBRJXUFODUEEU-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO CCCc1nc(COC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)cs1 ZINC000745101416 1132193775 /nfs/dbraw/zinc/19/37/75/1132193775.db2.gz QDHVUBYIIZHDDZ-QGZVFWFLSA-N 1 2 332.469 3.832 20 0 EHADLO CCCc1nc(COC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cs1 ZINC000745101416 1132193778 /nfs/dbraw/zinc/19/37/78/1132193778.db2.gz QDHVUBYIIZHDDZ-QGZVFWFLSA-N 1 2 332.469 3.832 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000745098519 1132194171 /nfs/dbraw/zinc/19/41/71/1132194171.db2.gz DUBIGTDVLYKLDU-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000745098519 1132194175 /nfs/dbraw/zinc/19/41/75/1132194175.db2.gz DUBIGTDVLYKLDU-FQEVSTJZSA-N 1 2 349.434 3.609 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccccc1COC ZINC001174105328 1132230016 /nfs/dbraw/zinc/23/00/16/1132230016.db2.gz IFOBRKBYUHYONP-UHFFFAOYSA-N 1 2 338.411 3.728 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(C(=O)NC(C)(C)C)cc2)c[nH+]1 ZINC001174126051 1132244834 /nfs/dbraw/zinc/24/48/34/1132244834.db2.gz ALPBIALSXUFVOP-UHFFFAOYSA-N 1 2 326.444 3.810 20 0 EHADLO O=C(c1cccc(Nc2ccccc2-n2cc[nH+]c2)c1)N1CCCC1 ZINC001174170008 1132266027 /nfs/dbraw/zinc/26/60/27/1132266027.db2.gz KMUWIVGKGRFYPN-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO Cn1cc(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@@H+]2CC3)cn1 ZINC001174329645 1132321030 /nfs/dbraw/zinc/32/10/30/1132321030.db2.gz FLDMGHPDSDCRPZ-HXUWFJFHSA-N 1 2 330.435 3.819 20 0 EHADLO Cn1cc(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@H+]2CC3)cn1 ZINC001174329645 1132321037 /nfs/dbraw/zinc/32/10/37/1132321037.db2.gz FLDMGHPDSDCRPZ-HXUWFJFHSA-N 1 2 330.435 3.819 20 0 EHADLO Brc1cc(Nc2cnc3[nH]ccc3c2)c2[nH+]ccn2c1 ZINC001174395940 1132330822 /nfs/dbraw/zinc/33/08/22/1132330822.db2.gz PZKAKHOIRAOBHX-UHFFFAOYSA-N 1 2 328.173 3.668 20 0 EHADLO FC(F)(F)c1ncncc1N=C1CCC[N@H+](Cc2ccccc2)C1 ZINC001174395365 1132331612 /nfs/dbraw/zinc/33/16/12/1132331612.db2.gz XCIVYWHQCWUCOU-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO FC(F)(F)c1ncncc1N=C1CCC[N@@H+](Cc2ccccc2)C1 ZINC001174395365 1132331621 /nfs/dbraw/zinc/33/16/21/1132331621.db2.gz XCIVYWHQCWUCOU-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(CC(=O)N(C)C)cc3)ccc21 ZINC001174381777 1132343380 /nfs/dbraw/zinc/34/33/80/1132343380.db2.gz SJHYXBTZSWSMEG-UHFFFAOYSA-N 1 2 336.439 3.992 20 0 EHADLO COC(=O)c1nc(OC)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382615 1132344500 /nfs/dbraw/zinc/34/45/00/1132344500.db2.gz YVLMLUURGFHRQR-UHFFFAOYSA-N 1 2 340.383 3.551 20 0 EHADLO C[C@H]1CC(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)C1 ZINC000183376153 1132360542 /nfs/dbraw/zinc/36/05/42/1132360542.db2.gz WYFBDBMTVDBBKC-HZPDHXFCSA-N 1 2 330.472 3.530 20 0 EHADLO COC(=O)c1cc(Nc2ccc([NH+]3CCCC3)cc2)ccc1OC ZINC001174527549 1132384033 /nfs/dbraw/zinc/38/40/33/1132384033.db2.gz HZOIDNKRILMVBM-UHFFFAOYSA-N 1 2 326.396 3.826 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001174518278 1132396824 /nfs/dbraw/zinc/39/68/24/1132396824.db2.gz JIHCYARAMKKMFL-UHFFFAOYSA-N 1 2 339.443 3.957 20 0 EHADLO CCc1ccc(C2=CC[N@H+](Cc3occc3C(=O)OC)CC2)cc1 ZINC001168776956 1132425640 /nfs/dbraw/zinc/42/56/40/1132425640.db2.gz YZJOSIZSYYGRCD-UHFFFAOYSA-N 1 2 325.408 3.918 20 0 EHADLO CCc1ccc(C2=CC[N@@H+](Cc3occc3C(=O)OC)CC2)cc1 ZINC001168776956 1132425646 /nfs/dbraw/zinc/42/56/46/1132425646.db2.gz YZJOSIZSYYGRCD-UHFFFAOYSA-N 1 2 325.408 3.918 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189444819 1132444935 /nfs/dbraw/zinc/44/49/35/1132444935.db2.gz NYJZSSFMLTWFGE-GXFFZTMASA-N 1 2 339.270 3.954 20 0 EHADLO CCc1cccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cn2)c1 ZINC000192742183 1132476761 /nfs/dbraw/zinc/47/67/61/1132476761.db2.gz VUOMYNQORQTMGZ-UHFFFAOYSA-N 1 2 336.395 3.731 20 0 EHADLO CCc1cccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)c1 ZINC000192742183 1132476766 /nfs/dbraw/zinc/47/67/66/1132476766.db2.gz VUOMYNQORQTMGZ-UHFFFAOYSA-N 1 2 336.395 3.731 20 0 EHADLO c1ccc(-c2ccccc2Nc2ccc(N3CCOCC3)[nH+]c2)nc1 ZINC001174976180 1132509853 /nfs/dbraw/zinc/50/98/53/1132509853.db2.gz MSAOIGZPFGGWMA-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Clc1c(Nc2ccc(N3CCOCC3)[nH+]c2)cnc2ccccc21 ZINC001174975486 1132510389 /nfs/dbraw/zinc/51/03/89/1132510389.db2.gz WHRXHAKLTPPRBN-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO c1cc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)ccn1 ZINC001174976088 1132510515 /nfs/dbraw/zinc/51/05/15/1132510515.db2.gz KXCYHLIVWVDCTP-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO CC1(F)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001175025977 1132523323 /nfs/dbraw/zinc/52/33/23/1132523323.db2.gz VIIDHZKDULLUMC-CQSZACIVSA-N 1 2 345.245 3.923 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C)[C@H](C)C3)c(=S)n2C)cc1 ZINC000766372841 1132524923 /nfs/dbraw/zinc/52/49/23/1132524923.db2.gz DSKZIZVXIOUGQQ-HUUCEWRRSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)c(=S)n2C)cc1 ZINC000766372841 1132524927 /nfs/dbraw/zinc/52/49/27/1132524927.db2.gz DSKZIZVXIOUGQQ-HUUCEWRRSA-N 1 2 330.501 3.862 20 0 EHADLO CCCCOc1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001175000682 1132526850 /nfs/dbraw/zinc/52/68/50/1132526850.db2.gz UZXCHTCKOKTUED-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000766402422 1132529662 /nfs/dbraw/zinc/52/96/62/1132529662.db2.gz CIDYETFNUNXMPW-DGKWVBSXSA-N 1 2 325.460 3.596 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001174980064 1132534405 /nfs/dbraw/zinc/53/44/05/1132534405.db2.gz NDYCOEWBHVMCFU-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO COc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c(C)c1 ZINC000766425072 1132536862 /nfs/dbraw/zinc/53/68/62/1132536862.db2.gz QPSJEGPTYWZTQJ-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO CCOc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1F ZINC001175066428 1132539924 /nfs/dbraw/zinc/53/99/24/1132539924.db2.gz QLQONSCMSPUOIW-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000746449896 1132540383 /nfs/dbraw/zinc/54/03/83/1132540383.db2.gz KASYKDOHPKTZGF-HXUWFJFHSA-N 1 2 349.434 3.657 20 0 EHADLO Cc1ccccc1CC1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000766430590 1132542456 /nfs/dbraw/zinc/54/24/56/1132542456.db2.gz WPTBZCXFEKJTGW-UHFFFAOYSA-N 1 2 335.455 3.569 20 0 EHADLO CCC1(CC)CN(c2[nH+]cnc3c2cnn3C(C)(C)C)CCS1 ZINC000766438632 1132544701 /nfs/dbraw/zinc/54/47/01/1132544701.db2.gz MXOWZVXRCWRWMA-UHFFFAOYSA-N 1 2 333.505 3.693 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(F)c1Br ZINC001249462133 1132549422 /nfs/dbraw/zinc/54/94/22/1132549422.db2.gz XIHZLSJCAGKXJX-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(F)c1Br ZINC001249462133 1132549427 /nfs/dbraw/zinc/54/94/27/1132549427.db2.gz XIHZLSJCAGKXJX-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1scnc1Cl ZINC000766530451 1132598673 /nfs/dbraw/zinc/59/86/73/1132598673.db2.gz MHESAJRSUFZDRD-CHWSQXEVSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1scnc1Cl ZINC000766530451 1132598679 /nfs/dbraw/zinc/59/86/79/1132598679.db2.gz MHESAJRSUFZDRD-CHWSQXEVSA-N 1 2 349.887 3.532 20 0 EHADLO CCCCOc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001175241280 1132606027 /nfs/dbraw/zinc/60/60/27/1132606027.db2.gz KTWSNDYFNCSTEA-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO O=C(Nc1ccccc1)N1CCC(Nc2cc3cc[nH]c3c[nH+]2)CC1 ZINC001168929138 1132615621 /nfs/dbraw/zinc/61/56/21/1132615621.db2.gz CQFMBCRIBVHHFR-UHFFFAOYSA-N 1 2 335.411 3.671 20 0 EHADLO COC(=O)c1cc(Cl)sc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347177 1132628653 /nfs/dbraw/zinc/62/86/53/1132628653.db2.gz FLBWKCJPDLPNNP-UHFFFAOYSA-N 1 2 337.832 3.927 20 0 EHADLO c1c(CCNc2cncc(Oc3ccccc3)n2)[nH+]c2ccccn12 ZINC001169003354 1132629273 /nfs/dbraw/zinc/62/92/73/1132629273.db2.gz ZOEOPMQOSXCUPC-UHFFFAOYSA-N 1 2 331.379 3.571 20 0 EHADLO CCOc1ccc2cc(NCCc3cn4ccccc4[nH+]3)cnc2c1 ZINC001169008413 1132629901 /nfs/dbraw/zinc/62/99/01/1132629901.db2.gz COVODNFOYWGAPT-UHFFFAOYSA-N 1 2 332.407 3.936 20 0 EHADLO c1c(C2CCC2)nn2cc(Nc3ccc(N4CCCC4)[nH+]c3)cnc12 ZINC001175347721 1132630575 /nfs/dbraw/zinc/63/05/75/1132630575.db2.gz SUVWUWZNTYYNCE-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)c(OC)c1 ZINC001175397081 1132644651 /nfs/dbraw/zinc/64/46/51/1132644651.db2.gz SFXROPKFWFLNOM-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO COC(Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1)OC ZINC001175353099 1132646835 /nfs/dbraw/zinc/64/68/35/1132646835.db2.gz ZLFDBYJKWDEJJB-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO COc1cc(CCNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)ccn1 ZINC001169226251 1132700702 /nfs/dbraw/zinc/70/07/02/1132700702.db2.gz MKKFWRQLIUFCEG-UHFFFAOYSA-N 1 2 336.317 3.640 20 0 EHADLO CC(C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000103130611 1132711086 /nfs/dbraw/zinc/71/10/86/1132711086.db2.gz KMDNEMUHJSZUME-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO C[N@@H+]1CCCC(=Nc2cc(-c3ccc(Br)cc3)no2)C1 ZINC001175573621 1132713173 /nfs/dbraw/zinc/71/31/73/1132713173.db2.gz HMSMXDAEKBNCLS-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO C[N@H+]1CCCC(=Nc2cc(-c3ccc(Br)cc3)no2)C1 ZINC001175573621 1132713180 /nfs/dbraw/zinc/71/31/80/1132713180.db2.gz HMSMXDAEKBNCLS-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO COC(=O)[C@H](C)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175713867 1132740084 /nfs/dbraw/zinc/74/00/84/1132740084.db2.gz NQZZVJTUBADSEE-SECBINFHSA-N 1 2 339.317 3.703 20 0 EHADLO CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(F)c1 ZINC001175712168 1132740153 /nfs/dbraw/zinc/74/01/53/1132740153.db2.gz IDQKGWDMLQDYHH-UHFFFAOYSA-N 1 2 343.280 3.742 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(-c3ccccn3)nc2)c[nH+]1 ZINC001175712827 1132740372 /nfs/dbraw/zinc/74/03/72/1132740372.db2.gz TVMPDQHBSFPCPA-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO COC(=O)c1cc(F)c(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713866 1132740450 /nfs/dbraw/zinc/74/04/50/1132740450.db2.gz NQLZJCBBVBVWEY-UHFFFAOYSA-N 1 2 343.280 3.660 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001175713237 1132740554 /nfs/dbraw/zinc/74/05/54/1132740554.db2.gz YCFVIYYRAMWFCN-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO Clc1cc(Nc2ccc(OC3CCOCC3)nc2)cn2cc[nH+]c12 ZINC001175729751 1132746649 /nfs/dbraw/zinc/74/66/49/1132746649.db2.gz ZMXOUNGKGPROSG-UHFFFAOYSA-N 1 2 344.802 3.684 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCSC(C)(C)C ZINC001175748709 1132752869 /nfs/dbraw/zinc/75/28/69/1132752869.db2.gz HITUBATXSXNJHI-SFHVURJKSA-N 1 2 341.492 3.811 20 0 EHADLO Cc1cc(Br)cnc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707622 1132754744 /nfs/dbraw/zinc/75/47/44/1132754744.db2.gz IHHJNZQWTUKTQL-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001175934318 1132800757 /nfs/dbraw/zinc/80/07/57/1132800757.db2.gz ALDPJZQSGAHVTQ-CYBMUJFWSA-N 1 2 338.732 3.692 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001175934318 1132800765 /nfs/dbraw/zinc/80/07/65/1132800765.db2.gz ALDPJZQSGAHVTQ-CYBMUJFWSA-N 1 2 338.732 3.692 20 0 EHADLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204164611 1132811534 /nfs/dbraw/zinc/81/15/34/1132811534.db2.gz RTVVEIIHVFVWJH-UHFFFAOYSA-N 1 2 344.377 3.804 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001176022252 1132822257 /nfs/dbraw/zinc/82/22/57/1132822257.db2.gz ZBNADFPFFRQNPR-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001176022252 1132822263 /nfs/dbraw/zinc/82/22/63/1132822263.db2.gz ZBNADFPFFRQNPR-CHWSQXEVSA-N 1 2 348.368 3.920 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001176068169 1132841073 /nfs/dbraw/zinc/84/10/73/1132841073.db2.gz DLDTYKRTBLKMTE-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO Cc1cn2c(cccc2Nc2ccc(Cl)c(C(=O)N(C)C)c2)[nH+]1 ZINC001176150162 1132846568 /nfs/dbraw/zinc/84/65/68/1132846568.db2.gz PIXBRNOLBHJZFV-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC001176120668 1132851997 /nfs/dbraw/zinc/85/19/97/1132851997.db2.gz IANOUIAEURCCIW-UHFFFAOYSA-N 1 2 336.269 3.959 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(F)c1I ZINC001176123464 1132853549 /nfs/dbraw/zinc/85/35/49/1132853549.db2.gz VDRSOHMTQGEFRT-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO CCOc1ccccc1OCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001169788333 1132859404 /nfs/dbraw/zinc/85/94/04/1132859404.db2.gz RFCUXTGWXGKKHU-UHFFFAOYSA-N 1 2 327.428 3.553 20 0 EHADLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(S(C)(=O)=O)cc1F ZINC001176276600 1132887140 /nfs/dbraw/zinc/88/71/40/1132887140.db2.gz JRVIQMPGYHWAAT-UHFFFAOYSA-N 1 2 336.432 3.875 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1N(C)C ZINC000103458132 1132899124 /nfs/dbraw/zinc/89/91/24/1132899124.db2.gz QTVRRALIXQTBCO-INIZCTEOSA-N 1 2 345.516 3.508 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc1N(C)C ZINC000103458132 1132899136 /nfs/dbraw/zinc/89/91/36/1132899136.db2.gz QTVRRALIXQTBCO-INIZCTEOSA-N 1 2 345.516 3.508 20 0 EHADLO CCC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)C(=O)OCC ZINC001169933307 1132901314 /nfs/dbraw/zinc/90/13/14/1132901314.db2.gz KJOVPQNNIJLHRW-HNNXBMFYSA-N 1 2 349.471 3.806 20 0 EHADLO CCC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)C(=O)OCC ZINC001169933307 1132901318 /nfs/dbraw/zinc/90/13/18/1132901318.db2.gz KJOVPQNNIJLHRW-HNNXBMFYSA-N 1 2 349.471 3.806 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2cccn3cc[nH+]c23)c1 ZINC001176296997 1132906319 /nfs/dbraw/zinc/90/63/19/1132906319.db2.gz HEKGDPKAMSIWDP-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000766908684 1132912095 /nfs/dbraw/zinc/91/20/95/1132912095.db2.gz CVNPZSNLRBBVMQ-GFCCVEGCSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000766908684 1132912101 /nfs/dbraw/zinc/91/21/01/1132912101.db2.gz CVNPZSNLRBBVMQ-GFCCVEGCSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](C)[C@H]3C)c2cc1C(C)C ZINC000766968605 1132924705 /nfs/dbraw/zinc/92/47/05/1132924705.db2.gz JKHLVSJSKMPSBL-HUUCEWRRSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](C)[C@H]3C)c2cc1C(C)C ZINC000766968605 1132924711 /nfs/dbraw/zinc/92/47/11/1132924711.db2.gz JKHLVSJSKMPSBL-HUUCEWRRSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1ccc(Br)c(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176743302 1132990840 /nfs/dbraw/zinc/99/08/40/1132990840.db2.gz IEJLPBVMOXHWLP-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)c(C(C)=O)cc1OC ZINC001176750731 1132992700 /nfs/dbraw/zinc/99/27/00/1132992700.db2.gz KERGOLCFBHRRGP-UHFFFAOYSA-N 1 2 341.411 3.645 20 0 EHADLO C[C@@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000767432134 1133000971 /nfs/dbraw/zinc/00/09/71/1133000971.db2.gz FEHSMYBRBYBMIS-MWLCHTKSSA-N 1 2 345.315 3.662 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCO1 ZINC001176995359 1133020893 /nfs/dbraw/zinc/02/08/93/1133020893.db2.gz KQXBTQAJGGBRSG-KRWDZBQOSA-N 1 2 349.425 3.788 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCO1 ZINC001176995359 1133020897 /nfs/dbraw/zinc/02/08/97/1133020897.db2.gz KQXBTQAJGGBRSG-KRWDZBQOSA-N 1 2 349.425 3.788 20 0 EHADLO Cc1ccsc1/C=C/C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001177069594 1133028180 /nfs/dbraw/zinc/02/81/80/1133028180.db2.gz QNZOPBCNXNFVAI-ONEGZZNKSA-N 1 2 341.480 3.539 20 0 EHADLO CC(=O)OCc1cccc(Cl)c1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001212777313 1133047245 /nfs/dbraw/zinc/04/72/45/1133047245.db2.gz FOQDGSHHAQAIID-UHFFFAOYSA-N 1 2 329.787 3.633 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 ZINC000767778596 1133052542 /nfs/dbraw/zinc/05/25/42/1133052542.db2.gz LBBVDKDSKVHBHU-QGZVFWFLSA-N 1 2 332.492 3.670 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767876696 1133066287 /nfs/dbraw/zinc/06/62/87/1133066287.db2.gz QLESTCGDPCYCFX-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767876696 1133066292 /nfs/dbraw/zinc/06/62/92/1133066292.db2.gz QLESTCGDPCYCFX-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177621707 1133087879 /nfs/dbraw/zinc/08/78/79/1133087879.db2.gz FWFOETWFXNRCNA-QGZVFWFLSA-N 1 2 328.412 3.590 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177621707 1133087885 /nfs/dbraw/zinc/08/78/85/1133087885.db2.gz FWFOETWFXNRCNA-QGZVFWFLSA-N 1 2 328.412 3.590 20 0 EHADLO OCc1csc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC001177698142 1133094304 /nfs/dbraw/zinc/09/43/04/1133094304.db2.gz OEWZIYUSWNVUDT-GOSISDBHSA-N 1 2 328.412 3.654 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000768142440 1133096356 /nfs/dbraw/zinc/09/63/56/1133096356.db2.gz DAXXQZJWFOBZLG-UHFFFAOYSA-N 1 2 346.906 3.575 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1c(F)cccc1F)C2 ZINC001204203331 1133100879 /nfs/dbraw/zinc/10/08/79/1133100879.db2.gz VHJHBXLRXAVHKO-GOSISDBHSA-N 1 2 338.398 3.550 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001204203331 1133100882 /nfs/dbraw/zinc/10/08/82/1133100882.db2.gz VHJHBXLRXAVHKO-GOSISDBHSA-N 1 2 338.398 3.550 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000768159859 1133102484 /nfs/dbraw/zinc/10/24/84/1133102484.db2.gz KOWYJYRWLLLKNB-BBRMVZONSA-N 1 2 343.858 3.510 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000768248480 1133117509 /nfs/dbraw/zinc/11/75/09/1133117509.db2.gz GIFLTJHUYKBCDD-MRXNPFEDSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000768248480 1133117511 /nfs/dbraw/zinc/11/75/11/1133117511.db2.gz GIFLTJHUYKBCDD-MRXNPFEDSA-N 1 2 335.904 3.926 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](CCO)C1CC1 ZINC000768330035 1133125817 /nfs/dbraw/zinc/12/58/17/1133125817.db2.gz MLUODERPZVKEOO-UHFFFAOYSA-N 1 2 347.890 3.780 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000768330035 1133125819 /nfs/dbraw/zinc/12/58/19/1133125819.db2.gz MLUODERPZVKEOO-UHFFFAOYSA-N 1 2 347.890 3.780 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768544652 1133158016 /nfs/dbraw/zinc/15/80/16/1133158016.db2.gz QGPIFXOLYXDDIA-CJNGLKHVSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000768544652 1133158021 /nfs/dbraw/zinc/15/80/21/1133158021.db2.gz QGPIFXOLYXDDIA-CJNGLKHVSA-N 1 2 349.475 3.820 20 0 EHADLO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001178959202 1133216852 /nfs/dbraw/zinc/21/68/52/1133216852.db2.gz WUHLDYDRHKLQEA-UHFFFAOYSA-N 1 2 344.263 3.687 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cncc3ccccc32)CC1 ZINC000769424429 1133283105 /nfs/dbraw/zinc/28/31/05/1133283105.db2.gz AKCAEDBRMJJREU-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)cc1F ZINC000769428218 1133283432 /nfs/dbraw/zinc/28/34/32/1133283432.db2.gz NPPQTTVHXKOQBJ-GOSISDBHSA-N 1 2 344.409 3.692 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)cc1F ZINC000769428218 1133283437 /nfs/dbraw/zinc/28/34/37/1133283437.db2.gz NPPQTTVHXKOQBJ-GOSISDBHSA-N 1 2 344.409 3.692 20 0 EHADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001179931944 1133301053 /nfs/dbraw/zinc/30/10/53/1133301053.db2.gz VTWWLFRJSVPZCH-MRXNPFEDSA-N 1 2 348.443 3.561 20 0 EHADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001179931944 1133301057 /nfs/dbraw/zinc/30/10/57/1133301057.db2.gz VTWWLFRJSVPZCH-MRXNPFEDSA-N 1 2 348.443 3.561 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3ccc(Br)nc3)CC2)cc1 ZINC001179947607 1133303857 /nfs/dbraw/zinc/30/38/57/1133303857.db2.gz XLNRPOVOKLKZDT-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3ccc(Br)nc3)CC2)cc1 ZINC001179947607 1133303862 /nfs/dbraw/zinc/30/38/62/1133303862.db2.gz XLNRPOVOKLKZDT-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO CC[N@@H+](Cc1c(F)cc(Br)cc1F)C[C@@H]1CCCO1 ZINC001180157548 1133340370 /nfs/dbraw/zinc/34/03/70/1133340370.db2.gz KHAYDLZUJRGFTD-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO CC[N@H+](Cc1c(F)cc(Br)cc1F)C[C@@H]1CCCO1 ZINC001180157548 1133340376 /nfs/dbraw/zinc/34/03/76/1133340376.db2.gz KHAYDLZUJRGFTD-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC001180212254 1133344401 /nfs/dbraw/zinc/34/44/01/1133344401.db2.gz QOTLKTUBYFBMLI-OAQYLSRUSA-N 1 2 349.434 3.741 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C2CC2)c(C2CC2)c1)C1CC1 ZINC001180235505 1133349067 /nfs/dbraw/zinc/34/90/67/1133349067.db2.gz XYGPHFUPJBSEKA-AWEZNQCLSA-N 1 2 347.524 3.839 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C2CC2)c(C2CC2)c1)C1CC1 ZINC001180235505 1133349074 /nfs/dbraw/zinc/34/90/74/1133349074.db2.gz XYGPHFUPJBSEKA-AWEZNQCLSA-N 1 2 347.524 3.839 20 0 EHADLO Cn1cc[nH+]c1CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001180298101 1133358589 /nfs/dbraw/zinc/35/85/89/1133358589.db2.gz NVWTUQRWPXVECH-UHFFFAOYSA-N 1 2 346.390 3.800 20 0 EHADLO COc1cccc(N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1F ZINC000769986337 1133373442 /nfs/dbraw/zinc/37/34/42/1133373442.db2.gz NSUORSZKWLMNFA-FOIQADDNSA-N 1 2 344.430 3.708 20 0 EHADLO Cc1c(Cl)ccc2c1N(C(=O)c1cccc3[nH+]ccn31)CCC2 ZINC000770084793 1133384966 /nfs/dbraw/zinc/38/49/66/1133384966.db2.gz LRBQCYGRFLFCSP-UHFFFAOYSA-N 1 2 325.799 3.889 20 0 EHADLO O=C(Nc1ccnc(Oc2ccccc2)c1)c1cccc2[nH+]ccn21 ZINC000770079918 1133385435 /nfs/dbraw/zinc/38/54/35/1133385435.db2.gz WWCSKZLJVQNRGI-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cccc(C[N@H+](C)CN2C(=S)N=NC2Cc2cccs2)c1 ZINC000746501341 1133407390 /nfs/dbraw/zinc/40/73/90/1133407390.db2.gz DIIVSRBRXMXPIP-UHFFFAOYSA-N 1 2 344.509 3.617 20 0 EHADLO Cc1cccc(C[N@@H+](C)CN2C(=S)N=NC2Cc2cccs2)c1 ZINC000746501341 1133407395 /nfs/dbraw/zinc/40/73/95/1133407395.db2.gz DIIVSRBRXMXPIP-UHFFFAOYSA-N 1 2 344.509 3.617 20 0 EHADLO CCC[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@H](CC)C(=O)OCC ZINC001180858764 1133421400 /nfs/dbraw/zinc/42/14/00/1133421400.db2.gz UUESBROUCCYYFM-MRXNPFEDSA-N 1 2 339.863 3.829 20 0 EHADLO CCC[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@H](CC)C(=O)OCC ZINC001180858764 1133421407 /nfs/dbraw/zinc/42/14/07/1133421407.db2.gz UUESBROUCCYYFM-MRXNPFEDSA-N 1 2 339.863 3.829 20 0 EHADLO Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770417504 1133426000 /nfs/dbraw/zinc/42/60/00/1133426000.db2.gz NWVWTMASZZWZCR-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001180906592 1133426619 /nfs/dbraw/zinc/42/66/19/1133426619.db2.gz GHEZIBSFJXEKSU-MRXNPFEDSA-N 1 2 326.440 3.579 20 0 EHADLO O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccn2cc[nH+]c2c1 ZINC001180913841 1133428028 /nfs/dbraw/zinc/42/80/28/1133428028.db2.gz HDPKQFQCWZMQML-UHFFFAOYSA-N 1 2 333.313 3.924 20 0 EHADLO Cc1c(Cl)ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1Cl ZINC001180926594 1133429448 /nfs/dbraw/zinc/42/94/48/1133429448.db2.gz IXTIDMZNWSZQHN-UHFFFAOYSA-N 1 2 341.282 3.746 20 0 EHADLO Cc1c(Cl)ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1Cl ZINC001180926594 1133429450 /nfs/dbraw/zinc/42/94/50/1133429450.db2.gz IXTIDMZNWSZQHN-UHFFFAOYSA-N 1 2 341.282 3.746 20 0 EHADLO CCOc1cc(/C=C/C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1O ZINC000770472533 1133437670 /nfs/dbraw/zinc/43/76/70/1133437670.db2.gz BZAHPTLQGZMBPM-CSKARUKUSA-N 1 2 349.390 3.629 20 0 EHADLO Cc1ccc([C@H](C)OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000770656334 1133460708 /nfs/dbraw/zinc/46/07/08/1133460708.db2.gz QVWMFMZTJQLTLF-PXNSSMCTSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccc([C@H](C)OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000770656334 1133460711 /nfs/dbraw/zinc/46/07/11/1133460711.db2.gz QVWMFMZTJQLTLF-PXNSSMCTSA-N 1 2 339.435 3.500 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC001181242684 1133467852 /nfs/dbraw/zinc/46/78/52/1133467852.db2.gz CCLWJHSKZCCOHJ-AAEUAGOBSA-N 1 2 334.416 3.619 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC001181242684 1133467855 /nfs/dbraw/zinc/46/78/55/1133467855.db2.gz CCLWJHSKZCCOHJ-AAEUAGOBSA-N 1 2 334.416 3.619 20 0 EHADLO Nc1cc(CC(=O)Nc2ccccc2-c2ccc(Cl)cn2)cc[nH+]1 ZINC001181263712 1133474237 /nfs/dbraw/zinc/47/42/37/1133474237.db2.gz BIWUBHXHZJZZTJ-UHFFFAOYSA-N 1 2 338.798 3.560 20 0 EHADLO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181254422 1133476956 /nfs/dbraw/zinc/47/69/56/1133476956.db2.gz IKJYQIDYFXARIK-IBGZPJMESA-N 1 2 339.483 3.856 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)OCc1cccc2[nH+]ccn21 ZINC000770921478 1133483713 /nfs/dbraw/zinc/48/37/13/1133483713.db2.gz BVDGHYXJDJNIOE-UHFFFAOYSA-N 1 2 344.798 3.890 20 0 EHADLO CCSCc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770925100 1133485615 /nfs/dbraw/zinc/48/56/15/1133485615.db2.gz JPVSFPZKBRKOSS-UHFFFAOYSA-N 1 2 326.421 3.944 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000770929462 1133486271 /nfs/dbraw/zinc/48/62/71/1133486271.db2.gz PIHQLGSGSTZVNN-RXVVDRJESA-N 1 2 332.403 3.672 20 0 EHADLO COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)snc1OC ZINC001181622015 1133507490 /nfs/dbraw/zinc/50/74/90/1133507490.db2.gz NKTOVDRAVVSOFS-GXTWGEPZSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1c(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)snc1OC ZINC001181622015 1133507492 /nfs/dbraw/zinc/50/74/92/1133507492.db2.gz NKTOVDRAVVSOFS-GXTWGEPZSA-N 1 2 346.452 3.521 20 0 EHADLO CCN1CC[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)[C@H](C)C1 ZINC001181708668 1133514726 /nfs/dbraw/zinc/51/47/26/1133514726.db2.gz ZJRIOCBBKMHEHL-MRXNPFEDSA-N 1 2 329.513 3.953 20 0 EHADLO CCN1CC[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)[C@H](C)C1 ZINC001181708668 1133514731 /nfs/dbraw/zinc/51/47/31/1133514731.db2.gz ZJRIOCBBKMHEHL-MRXNPFEDSA-N 1 2 329.513 3.953 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C2)c(O)c1Cl ZINC001181982557 1133557741 /nfs/dbraw/zinc/55/77/41/1133557741.db2.gz DBCMABVWVUOCCI-SNVBAGLBSA-N 1 2 331.243 3.676 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c1Cl ZINC001181982557 1133557739 /nfs/dbraw/zinc/55/77/39/1133557739.db2.gz DBCMABVWVUOCCI-SNVBAGLBSA-N 1 2 331.243 3.676 20 0 EHADLO Cc1cncnc1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182234721 1133595625 /nfs/dbraw/zinc/59/56/25/1133595625.db2.gz BLULXXXBKLJMSC-IBGZPJMESA-N 1 2 346.434 3.597 20 0 EHADLO Cc1cncnc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182234721 1133595627 /nfs/dbraw/zinc/59/56/27/1133595627.db2.gz BLULXXXBKLJMSC-IBGZPJMESA-N 1 2 346.434 3.597 20 0 EHADLO O=C(C[NH2+]Cc1nc2c(s1)CCC2)Nc1cccc2ccccc21 ZINC000771835930 1133597829 /nfs/dbraw/zinc/59/78/29/1133597829.db2.gz WADVAOBUSFNUGZ-UHFFFAOYSA-N 1 2 337.448 3.513 20 0 EHADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1c2cc(Cl)ccc2oc1=S ZINC000771867311 1133603313 /nfs/dbraw/zinc/60/33/13/1133603313.db2.gz HJMBIXJTGUGAEY-NSHDSACASA-N 1 2 340.832 3.602 20 0 EHADLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1c2cc(Cl)ccc2oc1=S ZINC000771867311 1133603315 /nfs/dbraw/zinc/60/33/15/1133603315.db2.gz HJMBIXJTGUGAEY-NSHDSACASA-N 1 2 340.832 3.602 20 0 EHADLO COc1sc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Br ZINC001182238436 1133604524 /nfs/dbraw/zinc/60/45/24/1133604524.db2.gz NYDDIMOJGXFKCS-DTWKUNHWSA-N 1 2 338.217 3.606 20 0 EHADLO COc1sc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Br ZINC001182238436 1133604528 /nfs/dbraw/zinc/60/45/28/1133604528.db2.gz NYDDIMOJGXFKCS-DTWKUNHWSA-N 1 2 338.217 3.606 20 0 EHADLO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)OCCn1cc[nH+]c1 ZINC000771881157 1133606161 /nfs/dbraw/zinc/60/61/61/1133606161.db2.gz LVQHMINUZYKZEM-DAFODLJHSA-N 1 2 344.720 3.812 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(Cl)c(C)c1 ZINC000771926675 1133610172 /nfs/dbraw/zinc/61/01/72/1133610172.db2.gz GRIVIQUJFACVIU-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(Cl)c(C)c1 ZINC000771926675 1133610176 /nfs/dbraw/zinc/61/01/76/1133610176.db2.gz GRIVIQUJFACVIU-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)OCc1cccc2[nH+]ccn21 ZINC000774145329 1133622323 /nfs/dbraw/zinc/62/23/23/1133622323.db2.gz XOYORHNLGXUUEC-OAHLLOKOSA-N 1 2 346.386 3.998 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000774165366 1133626561 /nfs/dbraw/zinc/62/65/61/1133626561.db2.gz NAJXEWNMLYUFBD-YFHOEESVSA-N 1 2 337.810 3.855 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000772182624 1133649748 /nfs/dbraw/zinc/64/97/48/1133649748.db2.gz LIRIQGSPTXVBSA-LSDHHAIUSA-N 1 2 342.817 3.623 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000772182624 1133649750 /nfs/dbraw/zinc/64/97/50/1133649750.db2.gz LIRIQGSPTXVBSA-LSDHHAIUSA-N 1 2 342.817 3.623 20 0 EHADLO CN(C)c1cc(COC(=O)C2(Cc3cccc(F)c3)CCC2)cc[nH+]1 ZINC000774301948 1133654994 /nfs/dbraw/zinc/65/49/94/1133654994.db2.gz ICOGEXBGRHLJST-UHFFFAOYSA-N 1 2 342.414 3.743 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)[C@H]1c1ccccc1 ZINC000785516112 1133716314 /nfs/dbraw/zinc/71/63/14/1133716314.db2.gz GCCJYFLIFOPPMF-SJLPKXTDSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)[C@H]1c1ccccc1 ZINC000785516112 1133716318 /nfs/dbraw/zinc/71/63/18/1133716318.db2.gz GCCJYFLIFOPPMF-SJLPKXTDSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC001182865192 1133740628 /nfs/dbraw/zinc/74/06/28/1133740628.db2.gz TZSAMHCSFSVUOZ-INIZCTEOSA-N 1 2 347.352 3.768 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC001182865192 1133740633 /nfs/dbraw/zinc/74/06/33/1133740633.db2.gz TZSAMHCSFSVUOZ-INIZCTEOSA-N 1 2 347.352 3.768 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)Cc1nnc2ccccn21 ZINC000785977553 1133785436 /nfs/dbraw/zinc/78/54/36/1133785436.db2.gz JQSIYYWCRXBLAH-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)Cc1nnc2ccccn21 ZINC000785977553 1133785440 /nfs/dbraw/zinc/78/54/40/1133785440.db2.gz JQSIYYWCRXBLAH-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CCc3ccc(F)cc3F)CCO2)cc1 ZINC001183363721 1133795086 /nfs/dbraw/zinc/79/50/86/1133795086.db2.gz LTLRFZKKCWCTEJ-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CCc3ccc(F)cc3F)CCO2)cc1 ZINC001183363721 1133795093 /nfs/dbraw/zinc/79/50/93/1133795093.db2.gz LTLRFZKKCWCTEJ-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO O=C(Nc1ccc(-c2cccnc2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183753769 1133855209 /nfs/dbraw/zinc/85/52/09/1133855209.db2.gz UOXJMTOPGUWRAQ-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ccc(-c2cccnc2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183753769 1133855216 /nfs/dbraw/zinc/85/52/16/1133855216.db2.gz UOXJMTOPGUWRAQ-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(N)[nH+]c2)cc1C ZINC001183935050 1133874032 /nfs/dbraw/zinc/87/40/32/1133874032.db2.gz AKRSYGXVOORSRW-IBGZPJMESA-N 1 2 337.467 3.967 20 0 EHADLO C[C@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccn1)C(=O)OC(C)(C)C ZINC001184364798 1133935867 /nfs/dbraw/zinc/93/58/67/1133935867.db2.gz XYVLZRYPPVBDLV-WMZOPIPTSA-N 1 2 340.467 3.728 20 0 EHADLO COC(=O)c1ccc(CNc2[nH+]c3ccccc3n2C(C)(C)C)[nH]1 ZINC001184453541 1133943774 /nfs/dbraw/zinc/94/37/74/1133943774.db2.gz WYJSYMCOCVGGPJ-UHFFFAOYSA-N 1 2 326.400 3.518 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001184504480 1133953854 /nfs/dbraw/zinc/95/38/54/1133953854.db2.gz HLBGJJMYZDPJOH-KGLIPLIRSA-N 1 2 342.443 3.603 20 0 EHADLO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(C2CCC2)[nH+]1 ZINC001184617949 1133965810 /nfs/dbraw/zinc/96/58/10/1133965810.db2.gz WPDXRIXVFLBHGC-UHFFFAOYSA-N 1 2 326.419 3.518 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)NCc1c[nH+]cn1C1CCC1 ZINC001184886518 1133997290 /nfs/dbraw/zinc/99/72/90/1133997290.db2.gz MKUDNDGHQAVCLP-UHFFFAOYSA-N 1 2 341.430 3.875 20 0 EHADLO CCc1cc(NCc2cccc(C(=O)N[C@H](C)CC)c2)nc(CC)[nH+]1 ZINC001184885118 1133997619 /nfs/dbraw/zinc/99/76/19/1133997619.db2.gz HTHKPDMVQPGIOG-CQSZACIVSA-N 1 2 340.471 3.742 20 0 EHADLO CCOc1cc(Nc2ccc[nH+]c2N2CCCC2)cc(C(=O)OC)c1 ZINC001184965097 1134008449 /nfs/dbraw/zinc/00/84/49/1134008449.db2.gz RVPDBDHCYAZGLG-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3ccc(F)c(F)c3)c[nH+]c12 ZINC001185112432 1134037157 /nfs/dbraw/zinc/03/71/57/1134037157.db2.gz MJKPMTLGLVQFTB-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)cn1 ZINC001185486043 1134097329 /nfs/dbraw/zinc/09/73/29/1134097329.db2.gz YFAUNNKSESQCAH-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO O=c1sc2c(n1C[NH+]1CCC(F)(c3ccccc3)CC1)CCCC2 ZINC000788374274 1134119286 /nfs/dbraw/zinc/11/92/86/1134119286.db2.gz ZHTWLFKJMZSDCM-UHFFFAOYSA-N 1 2 346.471 3.707 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000774944211 1134140823 /nfs/dbraw/zinc/14/08/23/1134140823.db2.gz PGCAHDJXXDLVBT-LBPRGKRZSA-N 1 2 333.432 3.544 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c(OC)c1 ZINC000788545756 1134141152 /nfs/dbraw/zinc/14/11/52/1134141152.db2.gz IXFWBEONRVZPSM-CQSZACIVSA-N 1 2 348.830 3.538 20 0 EHADLO CCc1cc(N2CCN(c3ccc(F)cc3Cl)CC2)nc(CC)[nH+]1 ZINC001185846877 1134143029 /nfs/dbraw/zinc/14/30/29/1134143029.db2.gz BFVVBFYKSNQLOM-UHFFFAOYSA-N 1 2 348.853 3.721 20 0 EHADLO Cc1cc(N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1[NH+](C)C ZINC000788725550 1134163304 /nfs/dbraw/zinc/16/33/04/1134163304.db2.gz HVEIPZDUGZPZAC-CQSZACIVSA-N 1 2 333.476 3.728 20 0 EHADLO CC(C)c1cc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)nc(C(C)C)[nH+]1 ZINC001186069983 1134164582 /nfs/dbraw/zinc/16/45/82/1134164582.db2.gz LBBOQPYTEQUDPW-MRXNPFEDSA-N 1 2 342.418 3.690 20 0 EHADLO CCOC(=O)N1CCC[C@@H]([C@@H](C)Nc2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001186185514 1134179108 /nfs/dbraw/zinc/17/91/08/1134179108.db2.gz XZDLPNWXUFONON-GDBMZVCRSA-N 1 2 346.475 3.721 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000788987767 1134200970 /nfs/dbraw/zinc/20/09/70/1134200970.db2.gz BYFMIXQGFGDPQL-UHFFFAOYSA-N 1 2 343.386 3.706 20 0 EHADLO Cc1cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c(F)cc1F ZINC001186375955 1134211159 /nfs/dbraw/zinc/21/11/59/1134211159.db2.gz DRJOZRXWYJOHJW-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCc4sccc4C3)C2=O)c(C)c1 ZINC000789307468 1134252106 /nfs/dbraw/zinc/25/21/06/1134252106.db2.gz YXZHFJBSCSSAGK-QGZVFWFLSA-N 1 2 340.492 3.837 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCc4sccc4C3)C2=O)c(C)c1 ZINC000789307468 1134252111 /nfs/dbraw/zinc/25/21/11/1134252111.db2.gz YXZHFJBSCSSAGK-QGZVFWFLSA-N 1 2 340.492 3.837 20 0 EHADLO CC(=O)c1cc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)ccc1C ZINC000789454311 1134277688 /nfs/dbraw/zinc/27/76/88/1134277688.db2.gz IRNXAXKRCOKBJV-QGZVFWFLSA-N 1 2 341.407 3.612 20 0 EHADLO CC(=O)c1cc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)ccc1C ZINC000789454311 1134277691 /nfs/dbraw/zinc/27/76/91/1134277691.db2.gz IRNXAXKRCOKBJV-QGZVFWFLSA-N 1 2 341.407 3.612 20 0 EHADLO C[C@@H]1C(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)[C@H]1c1ccccc1 ZINC000789526320 1134290641 /nfs/dbraw/zinc/29/06/41/1134290641.db2.gz BYHUTMYQJXFWEM-XJKSGUPXSA-N 1 2 340.389 3.828 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(F)(F)c1cc(Cl)cnc1Cl ZINC001157459864 1134310647 /nfs/dbraw/zinc/31/06/47/1134310647.db2.gz LGAOLSKSSDEAGH-UHFFFAOYSA-N 1 2 335.185 3.656 20 0 EHADLO CCN(CCn1cc[nH+]c1)c1c(Cl)ccc2c(Cl)ncnc21 ZINC001157468558 1134329050 /nfs/dbraw/zinc/32/90/50/1134329050.db2.gz QYTJEVGSFWYRDT-UHFFFAOYSA-N 1 2 336.226 3.660 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1ncoc1-c1ccccc1Cl ZINC000789790818 1134334546 /nfs/dbraw/zinc/33/45/46/1134334546.db2.gz CRTWUVMASHQJGW-UHFFFAOYSA-N 1 2 345.786 3.518 20 0 EHADLO Cc1nc(NCC[C@H]2CC[C@H](C(F)(F)F)O2)c2c([nH+]1)CCCC2 ZINC001187560019 1134345383 /nfs/dbraw/zinc/34/53/83/1134345383.db2.gz WTOCYGPKTLITSX-BXUZGUMPSA-N 1 2 329.366 3.576 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001187678788 1134366669 /nfs/dbraw/zinc/36/66/69/1134366669.db2.gz KISZRAWMXXLPCB-UHFFFAOYSA-N 1 2 349.793 3.949 20 0 EHADLO C[C@H]1CCN(C(=O)OCc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC001188109488 1134428566 /nfs/dbraw/zinc/42/85/66/1134428566.db2.gz KIHBQJCRYXONKL-XJKSGUPXSA-N 1 2 333.819 3.756 20 0 EHADLO CCC1=C(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCO1 ZINC000790540980 1134429780 /nfs/dbraw/zinc/42/97/80/1134429780.db2.gz OXGXBPIEOBSJSQ-UHFFFAOYSA-N 1 2 331.803 3.939 20 0 EHADLO Cc1c(Br)cccc1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000790628761 1134447846 /nfs/dbraw/zinc/44/78/46/1134447846.db2.gz GEPRCSALINLSHY-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000790775025 1134463998 /nfs/dbraw/zinc/46/39/98/1134463998.db2.gz VQDZLMAAWZRLLK-QFBILLFUSA-N 1 2 325.456 3.805 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(C(C)(C)C)[nH]n1 ZINC000791332342 1134532666 /nfs/dbraw/zinc/53/26/66/1134532666.db2.gz DNWRSSOUVSNVCD-UHFFFAOYSA-N 1 2 338.411 3.558 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(-c2cc[nH]n2)c1 ZINC001189022522 1134533611 /nfs/dbraw/zinc/53/36/11/1134533611.db2.gz KIFJESIAENTMCS-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791472843 1134561341 /nfs/dbraw/zinc/56/13/41/1134561341.db2.gz JMHPKUMHIKJDCW-QGZVFWFLSA-N 1 2 343.492 3.827 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791472843 1134561347 /nfs/dbraw/zinc/56/13/47/1134561347.db2.gz JMHPKUMHIKJDCW-QGZVFWFLSA-N 1 2 343.492 3.827 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791473656 1134562072 /nfs/dbraw/zinc/56/20/72/1134562072.db2.gz PRQBJIWKYYEZJP-UHFFFAOYSA-N 1 2 328.393 3.630 20 0 EHADLO CC(C)(C)c1ccc(SCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791572491 1134569809 /nfs/dbraw/zinc/56/98/09/1134569809.db2.gz YBSLXRXEPHNKEF-UHFFFAOYSA-N 1 2 330.453 3.797 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000791643390 1134583280 /nfs/dbraw/zinc/58/32/80/1134583280.db2.gz SPBHGYQJQYLVHO-LSDHHAIUSA-N 1 2 342.266 3.778 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000791643390 1134583285 /nfs/dbraw/zinc/58/32/85/1134583285.db2.gz SPBHGYQJQYLVHO-LSDHHAIUSA-N 1 2 342.266 3.778 20 0 EHADLO Nc1cc(COC(=O)c2occc2CSc2ccccc2)cc[nH+]1 ZINC000791651371 1134585256 /nfs/dbraw/zinc/58/52/56/1134585256.db2.gz OXAFIASVUWBRTC-UHFFFAOYSA-N 1 2 340.404 3.906 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791734317 1134597262 /nfs/dbraw/zinc/59/72/62/1134597262.db2.gz QRJHETKRZWONSL-UHFFFAOYSA-N 1 2 333.391 3.789 20 0 EHADLO Cc1cc(C)c(C(=O)CCCC(=O)OCc2cc[nH+]c(N)c2)c(C)c1 ZINC000791752589 1134602197 /nfs/dbraw/zinc/60/21/97/1134602197.db2.gz WOLAWBWJIKMXBI-UHFFFAOYSA-N 1 2 340.423 3.685 20 0 EHADLO Nc1cc(COC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc[nH+]1 ZINC000792015866 1134642757 /nfs/dbraw/zinc/64/27/57/1134642757.db2.gz JKDXYDNDXJUMGU-UHFFFAOYSA-N 1 2 339.782 3.736 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)c1ccccc1-n1cc[nH+]c1 ZINC001190097735 1134655442 /nfs/dbraw/zinc/65/54/42/1134655442.db2.gz QTTBEBPBZANNKV-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO Fc1c[nH]c2nc[nH+]c(NCc3nc(-c4ccccc4)cs3)c12 ZINC001170241140 1134719862 /nfs/dbraw/zinc/71/98/62/1134719862.db2.gz KQJSJLOIVKQGHW-UHFFFAOYSA-N 1 2 325.372 3.833 20 0 EHADLO C[C@@H]1CC[C@@](C)(/C=C\C(=O)N2CCc3cc[nH+]c(N)c3C2)C1(C)C ZINC001170267424 1134728156 /nfs/dbraw/zinc/72/81/56/1134728156.db2.gz AMONZVGESDPMOQ-PQONFQASSA-N 1 2 327.472 3.567 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001190729432 1134743621 /nfs/dbraw/zinc/74/36/21/1134743621.db2.gz BNLAALXQZNEKEX-FQEVSTJZSA-N 1 2 344.474 3.928 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)on1 ZINC001191031555 1134781872 /nfs/dbraw/zinc/78/18/72/1134781872.db2.gz XFASAIKLKXVGCX-SUMWQHHRSA-N 1 2 346.452 3.530 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)on1 ZINC001191031555 1134781879 /nfs/dbraw/zinc/78/18/79/1134781879.db2.gz XFASAIKLKXVGCX-SUMWQHHRSA-N 1 2 346.452 3.530 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C(C)(C)C)C2)c1C ZINC000792877313 1134810700 /nfs/dbraw/zinc/81/07/00/1134810700.db2.gz DYKWNMXFOJGUEP-HNNXBMFYSA-N 1 2 333.476 3.675 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191362647 1134857594 /nfs/dbraw/zinc/85/75/94/1134857594.db2.gz FWZQQRVHGQOWRR-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793136701 1134861358 /nfs/dbraw/zinc/86/13/58/1134861358.db2.gz HVQKXVNMCYFHNI-UKRRQHHQSA-N 1 2 333.407 3.527 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1SCc1ccco1 ZINC000793242155 1134887057 /nfs/dbraw/zinc/88/70/57/1134887057.db2.gz NCABLLMGULIGKO-UHFFFAOYSA-N 1 2 342.420 3.705 20 0 EHADLO Fc1ncccc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000793284343 1134894670 /nfs/dbraw/zinc/89/46/70/1134894670.db2.gz GTHXPMKVPCPVOA-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO O=C1C[N@@H+](CCCc2ccsc2)CCN1Cc1cccc(Cl)c1 ZINC001192243586 1134984367 /nfs/dbraw/zinc/98/43/67/1134984367.db2.gz MBWZCJZGTWTKGT-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO O=C1C[N@H+](CCCc2ccsc2)CCN1Cc1cccc(Cl)c1 ZINC001192243586 1134984372 /nfs/dbraw/zinc/98/43/72/1134984372.db2.gz MBWZCJZGTWTKGT-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO Cn1nccc1-c1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001192281245 1134992546 /nfs/dbraw/zinc/99/25/46/1134992546.db2.gz PQGWKXHGTAICPA-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO FCCn1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC001192414518 1135010554 /nfs/dbraw/zinc/01/05/54/1135010554.db2.gz YYJCRXQNOKFKOU-GOSISDBHSA-N 1 2 344.821 3.780 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001192524707 1135031389 /nfs/dbraw/zinc/03/13/89/1135031389.db2.gz GCJDSZZIUOUPPN-WFASDCNBSA-N 1 2 325.790 3.554 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001192524707 1135031391 /nfs/dbraw/zinc/03/13/91/1135031391.db2.gz GCJDSZZIUOUPPN-WFASDCNBSA-N 1 2 325.790 3.554 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1cccc(N2CCCC2)c1 ZINC000775549895 1135060843 /nfs/dbraw/zinc/06/08/43/1135060843.db2.gz RIZFMQROVCAUEQ-AWEZNQCLSA-N 1 2 328.460 3.818 20 0 EHADLO CCc1cc(OCC(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC001129482728 1135069452 /nfs/dbraw/zinc/06/94/52/1135069452.db2.gz XQVJHIZFFQUBNS-UHFFFAOYSA-N 1 2 329.787 3.568 20 0 EHADLO Cc1cc(F)c(Br)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129482657 1135069764 /nfs/dbraw/zinc/06/97/64/1135069764.db2.gz WAKZHCVRRQYCBH-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000775568989 1135095086 /nfs/dbraw/zinc/09/50/86/1135095086.db2.gz JZWHQMZMPMPZTB-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000775568989 1135095092 /nfs/dbraw/zinc/09/50/92/1135095092.db2.gz JZWHQMZMPMPZTB-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO CCCCOc1cc(OC)ccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129594542 1135117842 /nfs/dbraw/zinc/11/78/42/1135117842.db2.gz RZEDBRWHMYYSIB-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001193261586 1135119227 /nfs/dbraw/zinc/11/92/27/1135119227.db2.gz RYFRHLMQFAQWPE-FQEVSTJZSA-N 1 2 336.479 3.966 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001193261586 1135119233 /nfs/dbraw/zinc/11/92/33/1135119233.db2.gz RYFRHLMQFAQWPE-FQEVSTJZSA-N 1 2 336.479 3.966 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3occc3s2)CC[N@@H+]1Cc1ccccc1 ZINC001129702118 1135139412 /nfs/dbraw/zinc/13/94/12/1135139412.db2.gz MHQSGMYZICYYNK-AWEZNQCLSA-N 1 2 340.448 3.841 20 0 EHADLO C[C@H]1CN(C(=O)c2cc3occc3s2)CC[N@H+]1Cc1ccccc1 ZINC001129702118 1135139415 /nfs/dbraw/zinc/13/94/15/1135139415.db2.gz MHQSGMYZICYYNK-AWEZNQCLSA-N 1 2 340.448 3.841 20 0 EHADLO Cc1nc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c2c([nH+]1)CCCC2 ZINC000804705210 1135180682 /nfs/dbraw/zinc/18/06/82/1135180682.db2.gz KXJCYJDZYVVXMC-HIFRSBDPSA-N 1 2 326.271 3.684 20 0 EHADLO Cc1cc(N2CCC([C@H](O)c3ccccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000804812410 1135201799 /nfs/dbraw/zinc/20/17/99/1135201799.db2.gz HLIUXTHHUKESFE-FQEVSTJZSA-N 1 2 337.467 3.921 20 0 EHADLO CC(C)(C)COC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001194413780 1135266532 /nfs/dbraw/zinc/26/65/32/1135266532.db2.gz SIROHCWPPYTULW-UHFFFAOYSA-N 1 2 340.414 3.702 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccccc1)C(C)(C)C2 ZINC001194606958 1135292420 /nfs/dbraw/zinc/29/24/20/1135292420.db2.gz AKKXZPKQBCKVMD-UHFFFAOYSA-N 1 2 343.492 3.606 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccccc1)C(C)(C)C2 ZINC001194606958 1135292426 /nfs/dbraw/zinc/29/24/26/1135292426.db2.gz AKKXZPKQBCKVMD-UHFFFAOYSA-N 1 2 343.492 3.606 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000805826563 1135336473 /nfs/dbraw/zinc/33/64/73/1135336473.db2.gz CUANXZMBFXIMND-HNNXBMFYSA-N 1 2 337.489 3.557 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000805826563 1135336480 /nfs/dbraw/zinc/33/64/80/1135336480.db2.gz CUANXZMBFXIMND-HNNXBMFYSA-N 1 2 337.489 3.557 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000805827123 1135337925 /nfs/dbraw/zinc/33/79/25/1135337925.db2.gz GRRBFCOAGJXVQB-LBPRGKRZSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000805827123 1135337930 /nfs/dbraw/zinc/33/79/30/1135337930.db2.gz GRRBFCOAGJXVQB-LBPRGKRZSA-N 1 2 331.243 3.704 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC001194906890 1135338723 /nfs/dbraw/zinc/33/87/23/1135338723.db2.gz JOLVPDRGBNBNQX-UHFFFAOYSA-N 1 2 335.451 3.642 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccccc2-n2cccn2)c1 ZINC001194908741 1135339485 /nfs/dbraw/zinc/33/94/85/1135339485.db2.gz DVIFURONPJGMPF-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccc(F)cc3)CC2)cs1 ZINC000805862237 1135341289 /nfs/dbraw/zinc/34/12/89/1135341289.db2.gz SHDSHEZJLUWFKB-UHFFFAOYSA-N 1 2 348.443 3.546 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Oc3ccccc3C(F)(F)F)n2c1 ZINC001195200869 1135391504 /nfs/dbraw/zinc/39/15/04/1135391504.db2.gz JWHPFZBVYHBPNP-UHFFFAOYSA-N 1 2 349.312 3.950 20 0 EHADLO COc1cc(C[N@@H+]2CCN(c3cccc(Cl)c3)C[C@@H]2C)sn1 ZINC001170500575 1135399176 /nfs/dbraw/zinc/39/91/76/1135399176.db2.gz JGZOBBNHGGFMLO-LBPRGKRZSA-N 1 2 337.876 3.516 20 0 EHADLO COc1cc(C[N@H+]2CCN(c3cccc(Cl)c3)C[C@@H]2C)sn1 ZINC001170500575 1135399181 /nfs/dbraw/zinc/39/91/81/1135399181.db2.gz JGZOBBNHGGFMLO-LBPRGKRZSA-N 1 2 337.876 3.516 20 0 EHADLO Cn1ncc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000806167022 1135406442 /nfs/dbraw/zinc/40/64/42/1135406442.db2.gz GWLRKHZGQBPMSI-GOSISDBHSA-N 1 2 344.821 3.681 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000101903681 1135418020 /nfs/dbraw/zinc/41/80/20/1135418020.db2.gz UGUBMOOBAYIAAW-OAHLLOKOSA-N 1 2 346.500 3.530 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000101903681 1135418025 /nfs/dbraw/zinc/41/80/25/1135418025.db2.gz UGUBMOOBAYIAAW-OAHLLOKOSA-N 1 2 346.500 3.530 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000775669928 1135462882 /nfs/dbraw/zinc/46/28/82/1135462882.db2.gz FIGRBPFMCPGVPI-SFHVURJKSA-N 1 2 338.455 3.528 20 0 EHADLO COc1cc(OC)c(CNc2ccc([NH+](C)C)cc2C)c(OC)c1 ZINC000121425392 1135473390 /nfs/dbraw/zinc/47/33/90/1135473390.db2.gz CQJNJEOXJQXOLV-UHFFFAOYSA-N 1 2 330.428 3.699 20 0 EHADLO Cc1ccc(F)cc1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001195906821 1135489359 /nfs/dbraw/zinc/48/93/59/1135489359.db2.gz MVOGJGRVDVLRKN-INIZCTEOSA-N 1 2 345.443 3.769 20 0 EHADLO COc1cccc(NC(=S)Nc2cccn3c(C)c(C)[nH+]c23)c1 ZINC001196017029 1135506188 /nfs/dbraw/zinc/50/61/88/1135506188.db2.gz MCLCFXVEPWPABO-UHFFFAOYSA-N 1 2 326.425 3.769 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C/C=C\c2ccc(F)cc2)c1C ZINC000747370436 1135519584 /nfs/dbraw/zinc/51/95/84/1135519584.db2.gz HLOWKUZHSTZYSY-PLNGDYQASA-N 1 2 328.387 3.566 20 0 EHADLO CCOCCOCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001196149294 1135522053 /nfs/dbraw/zinc/52/20/53/1135522053.db2.gz ACDNBTYLPPJFRR-KRWDZBQOSA-N 1 2 341.879 3.545 20 0 EHADLO CCOCCOCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001196149294 1135522056 /nfs/dbraw/zinc/52/20/56/1135522056.db2.gz ACDNBTYLPPJFRR-KRWDZBQOSA-N 1 2 341.879 3.545 20 0 EHADLO Cc1cc(F)ccc1NC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001196152082 1135524249 /nfs/dbraw/zinc/52/42/49/1135524249.db2.gz WXCXVKGLDBKHRC-UHFFFAOYSA-N 1 2 332.448 3.617 20 0 EHADLO FC(F)(F)c1ccc(NC(=S)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001196160918 1135525823 /nfs/dbraw/zinc/52/58/23/1135525823.db2.gz FCFRJPYZRNRWPT-UHFFFAOYSA-N 1 2 337.370 3.820 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cnc1Br ZINC001196517867 1135572246 /nfs/dbraw/zinc/57/22/46/1135572246.db2.gz HCHKBWLOTIQJNW-OAHLLOKOSA-N 1 2 341.293 3.790 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)cnc1Br ZINC001196517867 1135572253 /nfs/dbraw/zinc/57/22/53/1135572253.db2.gz HCHKBWLOTIQJNW-OAHLLOKOSA-N 1 2 341.293 3.790 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807808224 1135572411 /nfs/dbraw/zinc/57/24/11/1135572411.db2.gz OYIWKNYGHSAJOC-ZWKOTPCHSA-N 1 2 349.434 3.652 20 0 EHADLO CC(=O)c1ccc(NC(=S)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001196519393 1135573183 /nfs/dbraw/zinc/57/31/83/1135573183.db2.gz JJTCVOZOLMIPHY-UHFFFAOYSA-N 1 2 336.420 3.884 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186145 1135587731 /nfs/dbraw/zinc/58/77/31/1135587731.db2.gz HGHCWMPSTZDTEL-GQCZAWASSA-N 1 2 325.412 3.541 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186145 1135587736 /nfs/dbraw/zinc/58/77/36/1135587736.db2.gz HGHCWMPSTZDTEL-GQCZAWASSA-N 1 2 325.412 3.541 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCSCC1 ZINC000807948568 1135595512 /nfs/dbraw/zinc/59/55/12/1135595512.db2.gz MBCVJTTWAVOSSJ-OAHLLOKOSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCSCC1 ZINC000807948568 1135595515 /nfs/dbraw/zinc/59/55/15/1135595515.db2.gz MBCVJTTWAVOSSJ-OAHLLOKOSA-N 1 2 347.528 3.574 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000808135794 1135621237 /nfs/dbraw/zinc/62/12/37/1135621237.db2.gz TXDYUJVOAZXVJS-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000808135794 1135621238 /nfs/dbraw/zinc/62/12/38/1135621238.db2.gz TXDYUJVOAZXVJS-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000808136977 1135621925 /nfs/dbraw/zinc/62/19/25/1135621925.db2.gz SLTXLFLVGZXLIW-QGZVFWFLSA-N 1 2 346.521 3.973 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000808136977 1135621927 /nfs/dbraw/zinc/62/19/27/1135621927.db2.gz SLTXLFLVGZXLIW-QGZVFWFLSA-N 1 2 346.521 3.973 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@](C)(CC)CC1=O)CCC2 ZINC000808170039 1135629745 /nfs/dbraw/zinc/62/97/45/1135629745.db2.gz AOYLWSSDIUHYCS-KBXCAEBGSA-N 1 2 335.517 3.621 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@](C)(CC)CC1=O)CCC2 ZINC000808170039 1135629746 /nfs/dbraw/zinc/62/97/46/1135629746.db2.gz AOYLWSSDIUHYCS-KBXCAEBGSA-N 1 2 335.517 3.621 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012927 1135640338 /nfs/dbraw/zinc/64/03/38/1135640338.db2.gz JJBPQKXNTWOBQZ-UYAOXDASSA-N 1 2 327.399 3.895 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012927 1135640343 /nfs/dbraw/zinc/64/03/43/1135640343.db2.gz JJBPQKXNTWOBQZ-UYAOXDASSA-N 1 2 327.399 3.895 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc(C)s2)C1 ZINC000102765917 1135646282 /nfs/dbraw/zinc/64/62/82/1135646282.db2.gz LCOZXSOASCBAPE-CYBMUJFWSA-N 1 2 336.526 3.884 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc(C)s2)C1 ZINC000102765917 1135646283 /nfs/dbraw/zinc/64/62/83/1135646283.db2.gz LCOZXSOASCBAPE-CYBMUJFWSA-N 1 2 336.526 3.884 20 0 EHADLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(C)c1OC(C)C ZINC001197228447 1135662280 /nfs/dbraw/zinc/66/22/80/1135662280.db2.gz LJNORSKYKUQKDS-UHFFFAOYSA-N 1 2 341.455 3.764 20 0 EHADLO Cc1csc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC001197872861 1135744613 /nfs/dbraw/zinc/74/46/13/1135744613.db2.gz SWVOFWHYQQWQMV-AWEZNQCLSA-N 1 2 339.505 3.673 20 0 EHADLO Cc1csc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC001197872861 1135744616 /nfs/dbraw/zinc/74/46/16/1135744616.db2.gz SWVOFWHYQQWQMV-AWEZNQCLSA-N 1 2 339.505 3.673 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1Cl ZINC001197881924 1135746197 /nfs/dbraw/zinc/74/61/97/1135746197.db2.gz NIBGZQBOOXFQFI-ZDUSSCGKSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1Cl ZINC001197881924 1135746200 /nfs/dbraw/zinc/74/62/00/1135746200.db2.gz NIBGZQBOOXFQFI-ZDUSSCGKSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1ccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC001197986857 1135763803 /nfs/dbraw/zinc/76/38/03/1135763803.db2.gz IIUHUDOUYMVCIY-QGZVFWFLSA-N 1 2 341.480 3.939 20 0 EHADLO Nc1[nH+]cccc1CNC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC001198079018 1135769071 /nfs/dbraw/zinc/76/90/71/1135769071.db2.gz GSPKQTICHUZUCE-UHFFFAOYSA-N 1 2 332.363 3.885 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)cc1 ZINC000338907896 1135827392 /nfs/dbraw/zinc/82/73/92/1135827392.db2.gz MRBIBZPOZLKRPC-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)cc1 ZINC000338907896 1135827396 /nfs/dbraw/zinc/82/73/96/1135827396.db2.gz MRBIBZPOZLKRPC-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO C[C@@H](c1nc(C2(c3ccccc3Br)CC2)no1)[NH+](C)C ZINC000809517454 1135847071 /nfs/dbraw/zinc/84/70/71/1135847071.db2.gz FOGIWDOGORFTBY-JTQLQIEISA-N 1 2 336.233 3.535 20 0 EHADLO CC(C)C1CCC(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000809559820 1135850652 /nfs/dbraw/zinc/85/06/52/1135850652.db2.gz BKCWKQCUTFRONP-VMBOVVBDSA-N 1 2 333.476 3.783 20 0 EHADLO CC(C)C1CCC(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000809559820 1135850658 /nfs/dbraw/zinc/85/06/58/1135850658.db2.gz BKCWKQCUTFRONP-VMBOVVBDSA-N 1 2 333.476 3.783 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(C2OCCO2)s1 ZINC000809575979 1135852916 /nfs/dbraw/zinc/85/29/16/1135852916.db2.gz HFFPNEKVTPZRSK-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(C2OCCO2)s1 ZINC000809575979 1135852920 /nfs/dbraw/zinc/85/29/20/1135852920.db2.gz HFFPNEKVTPZRSK-HNNXBMFYSA-N 1 2 330.453 3.698 20 0 EHADLO C[C@@H]1C[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)C[C@@H](C)S1 ZINC000809555227 1135855863 /nfs/dbraw/zinc/85/58/63/1135855863.db2.gz DNEIKFBLJSAESA-NXEZZACHSA-N 1 2 330.284 3.967 20 0 EHADLO Clc1cccc(Cl)c1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809610931 1135857531 /nfs/dbraw/zinc/85/75/31/1135857531.db2.gz KDYJGAHYHAIVBU-UHFFFAOYSA-N 1 2 345.251 3.785 20 0 EHADLO CCc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3ccccc3O)o1)C2 ZINC001198820866 1135859575 /nfs/dbraw/zinc/85/95/75/1135859575.db2.gz MOXPFUXGTCLUFP-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CCc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3ccccc3O)o1)C2 ZINC001198820866 1135859579 /nfs/dbraw/zinc/85/95/79/1135859579.db2.gz MOXPFUXGTCLUFP-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ncc(C2OCCO2)s1 ZINC000809650134 1135865510 /nfs/dbraw/zinc/86/55/10/1135865510.db2.gz OQDVADKGCKFKLQ-UHFFFAOYSA-N 1 2 343.452 3.692 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ncc(C2OCCO2)s1 ZINC000809650134 1135865513 /nfs/dbraw/zinc/86/55/13/1135865513.db2.gz OQDVADKGCKFKLQ-UHFFFAOYSA-N 1 2 343.452 3.692 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)Cc2c1cnn2CC ZINC001203919096 1135866915 /nfs/dbraw/zinc/86/69/15/1135866915.db2.gz ABLRDVZYQOZVGJ-HNNXBMFYSA-N 1 2 333.863 3.692 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)Cc2c1cnn2CC ZINC001203919096 1135866918 /nfs/dbraw/zinc/86/69/18/1135866918.db2.gz ABLRDVZYQOZVGJ-HNNXBMFYSA-N 1 2 333.863 3.692 20 0 EHADLO CC(C)COc1cnccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001199099119 1135880648 /nfs/dbraw/zinc/88/06/48/1135880648.db2.gz MNBDLAAQLIDHMN-UHFFFAOYSA-N 1 2 336.395 3.554 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001170586439 1135884069 /nfs/dbraw/zinc/88/40/69/1135884069.db2.gz KBICVLNQJRSNDA-QRQLOZEOSA-N 1 2 335.488 3.818 20 0 EHADLO C[C@H](NC(=O)c1c(O)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000143066885 1135887275 /nfs/dbraw/zinc/88/72/75/1135887275.db2.gz VQIDLPLMBVYEFT-LBPRGKRZSA-N 1 2 341.798 3.722 20 0 EHADLO COc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c2ccccc12 ZINC001131887790 1135894234 /nfs/dbraw/zinc/89/42/34/1135894234.db2.gz WORAWOAYSYWASG-UHFFFAOYSA-N 1 2 345.402 3.986 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000809889521 1135899052 /nfs/dbraw/zinc/89/90/52/1135899052.db2.gz FBHDIAHLUHLNCC-UHFFFAOYSA-N 1 2 342.349 3.687 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cnn(C)n2)[C@@H]2CCc3ccccc32)cc1 ZINC000809956318 1135906083 /nfs/dbraw/zinc/90/60/83/1135906083.db2.gz ISARQMGCUYQHJT-OAQYLSRUSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cnn(C)n2)[C@@H]2CCc3ccccc32)cc1 ZINC000809956318 1135906086 /nfs/dbraw/zinc/90/60/86/1135906086.db2.gz ISARQMGCUYQHJT-OAQYLSRUSA-N 1 2 332.451 3.813 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)C1=CC=CC1)c1ccc(Cl)cc1Cl ZINC001199695423 1135924070 /nfs/dbraw/zinc/92/40/70/1135924070.db2.gz MUECGKWEJBYBCC-HNNXBMFYSA-N 1 2 325.239 3.599 20 0 EHADLO Fc1c(Cl)cccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137963408 1135937509 /nfs/dbraw/zinc/93/75/09/1135937509.db2.gz IAFLVIORLLDIIF-AWEZNQCLSA-N 1 2 332.797 3.785 20 0 EHADLO Cc1nc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)nc2ccccc12 ZINC001199989195 1135943473 /nfs/dbraw/zinc/94/34/73/1135943473.db2.gz BGBJLRFQLPLLJQ-UHFFFAOYSA-N 1 2 329.407 3.618 20 0 EHADLO CCCCCC[C@H](CC)[N@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170601104 1135946398 /nfs/dbraw/zinc/94/63/98/1135946398.db2.gz WVJDGAJCIOPNBZ-INIZCTEOSA-N 1 2 346.519 3.721 20 0 EHADLO CCCCCC[C@H](CC)[N@@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170601104 1135946401 /nfs/dbraw/zinc/94/64/01/1135946401.db2.gz WVJDGAJCIOPNBZ-INIZCTEOSA-N 1 2 346.519 3.721 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810392409 1135959283 /nfs/dbraw/zinc/95/92/83/1135959283.db2.gz ULWNYBSTKKBQRT-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CC(C)C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378829 1135960330 /nfs/dbraw/zinc/96/03/30/1135960330.db2.gz IFYYGVGXRAPKNV-CFVMTHIKSA-N 1 2 348.384 3.769 20 0 EHADLO CC(C)C[C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378829 1135960331 /nfs/dbraw/zinc/96/03/31/1135960331.db2.gz IFYYGVGXRAPKNV-CFVMTHIKSA-N 1 2 348.384 3.769 20 0 EHADLO C[NH+](C)[C@@H](CNC(=S)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001200916583 1135965042 /nfs/dbraw/zinc/96/50/42/1135965042.db2.gz YTWACNBPEHVOSZ-ZDUSSCGKSA-N 1 2 348.343 3.859 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1cc2ccccc2o1 ZINC000810541852 1135974503 /nfs/dbraw/zinc/97/45/03/1135974503.db2.gz PLMJBULKSXURPA-UHFFFAOYSA-N 1 2 346.386 3.964 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC001203961178 1135976704 /nfs/dbraw/zinc/97/67/04/1135976704.db2.gz CCEJQSRSHGUKQQ-HNNXBMFYSA-N 1 2 334.460 3.527 20 0 EHADLO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC001203961178 1135976705 /nfs/dbraw/zinc/97/67/05/1135976705.db2.gz CCEJQSRSHGUKQQ-HNNXBMFYSA-N 1 2 334.460 3.527 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc3cc(Cl)sc3[nH]2)cc[nH+]1 ZINC000810664874 1135990974 /nfs/dbraw/zinc/99/09/74/1135990974.db2.gz LDVFRYDQNGKANC-UHFFFAOYSA-N 1 2 335.816 3.701 20 0 EHADLO CN(CCO)c1ccc(NCc2ccc(C3CC3)c(C3CC3)c2)[nH+]c1 ZINC001201178514 1135992629 /nfs/dbraw/zinc/99/26/29/1135992629.db2.gz CDCCCGIOQVBLIC-UHFFFAOYSA-N 1 2 337.467 3.877 20 0 EHADLO COc1cc(Nc2ccc(N)[nH+]c2)c(Cl)cc1Br ZINC001201295161 1136003591 /nfs/dbraw/zinc/00/35/91/1136003591.db2.gz KXJSLZHQXZALHS-UHFFFAOYSA-N 1 2 328.597 3.832 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001170615294 1136004514 /nfs/dbraw/zinc/00/45/14/1136004514.db2.gz XRTOAIPPQPYGAO-OAHLLOKOSA-N 1 2 339.398 3.540 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001170615294 1136004516 /nfs/dbraw/zinc/00/45/16/1136004516.db2.gz XRTOAIPPQPYGAO-OAHLLOKOSA-N 1 2 339.398 3.540 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1CNc1ccc(N(C)C)[nH+]c1 ZINC001201365562 1136008541 /nfs/dbraw/zinc/00/85/41/1136008541.db2.gz RLIJYRNFOCFSRD-UHFFFAOYSA-N 1 2 335.455 3.871 20 0 EHADLO Cc1cc([C@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)no1 ZINC000810793668 1136008526 /nfs/dbraw/zinc/00/85/26/1136008526.db2.gz KMMXFLSVORYRHM-YJBOKZPZSA-N 1 2 328.412 3.642 20 0 EHADLO Cc1cc([C@H](C)OC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)no1 ZINC000810793668 1136008530 /nfs/dbraw/zinc/00/85/30/1136008530.db2.gz KMMXFLSVORYRHM-YJBOKZPZSA-N 1 2 328.412 3.642 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(OC)ccc2OC(F)F)s1 ZINC001201425689 1136019026 /nfs/dbraw/zinc/01/90/26/1136019026.db2.gz YTFCSIWANPCETD-UHFFFAOYSA-N 1 2 328.384 3.605 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001201524705 1136037872 /nfs/dbraw/zinc/03/78/72/1136037872.db2.gz DKDTZLYGQQMRKG-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2cc(C)c(C)cc2C)c1C ZINC000747670964 1136039830 /nfs/dbraw/zinc/03/98/30/1136039830.db2.gz NNZZCMOTPVHUIN-FPLPWBNLSA-N 1 2 338.451 3.962 20 0 EHADLO CCCOc1ccc(OCC[S@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000811675246 1136120814 /nfs/dbraw/zinc/12/08/14/1136120814.db2.gz GLPSGZSXXGCBMK-DEOSSOPVSA-N 1 2 347.480 3.815 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@H]3C(C)C)c(=O)cc2C)cc1 ZINC000811735988 1136132648 /nfs/dbraw/zinc/13/26/48/1136132648.db2.gz GCEOAGZAJJXVPO-SFHVURJKSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3C(C)C)c(=O)cc2C)cc1 ZINC000811735988 1136132649 /nfs/dbraw/zinc/13/26/49/1136132649.db2.gz GCEOAGZAJJXVPO-SFHVURJKSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](C)COCC2CCCCC2)c(N(C)C)[nH+]1 ZINC001202406001 1136137513 /nfs/dbraw/zinc/13/75/13/1136137513.db2.gz WEUPCOYGHONGRU-OAHLLOKOSA-N 1 2 348.491 3.563 20 0 EHADLO CC[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001133033083 1136146457 /nfs/dbraw/zinc/14/64/57/1136146457.db2.gz PUHZMQQJBDPIJF-WOJBJXKFSA-N 1 2 333.435 3.934 20 0 EHADLO COc1cccc(C2=CC[N@H+](Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000338925559 1136183872 /nfs/dbraw/zinc/18/38/72/1136183872.db2.gz AWVVPQHORGBYIH-UHFFFAOYSA-N 1 2 346.434 3.565 20 0 EHADLO COc1cccc(C2=CC[N@@H+](Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000338925559 1136183873 /nfs/dbraw/zinc/18/38/73/1136183873.db2.gz AWVVPQHORGBYIH-UHFFFAOYSA-N 1 2 346.434 3.565 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2(F)CCCCC2)C[C@H](C)O1 ZINC000812918230 1136269526 /nfs/dbraw/zinc/26/95/26/1136269526.db2.gz QOUYVVCQAHDWFG-IYBDPMFKSA-N 1 2 348.462 3.907 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2(F)CCCCC2)C[C@H](C)O1 ZINC000812918230 1136269527 /nfs/dbraw/zinc/26/95/27/1136269527.db2.gz QOUYVVCQAHDWFG-IYBDPMFKSA-N 1 2 348.462 3.907 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2(F)CCCCC2)C[C@@H](C)O1 ZINC000812918229 1136269805 /nfs/dbraw/zinc/26/98/05/1136269805.db2.gz QOUYVVCQAHDWFG-HZPDHXFCSA-N 1 2 348.462 3.907 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2[nH+]cccc2-n2cccc2)CC1 ZINC001170695261 1136280178 /nfs/dbraw/zinc/28/01/78/1136280178.db2.gz KSDANYBCDABOHV-WKILWMFISA-N 1 2 327.428 3.796 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1cccnc1Cl ZINC000850574262 1136290266 /nfs/dbraw/zinc/29/02/66/1136290266.db2.gz XAMBEXWAIQSQMB-SECBINFHSA-N 1 2 326.730 3.907 20 0 EHADLO CO[C@@H]1CC[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000851013332 1136328526 /nfs/dbraw/zinc/32/85/26/1136328526.db2.gz PMNOVNOJJRJABV-CRAIPNDOSA-N 1 2 340.423 3.607 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)nc1 ZINC000813599833 1136346591 /nfs/dbraw/zinc/34/65/91/1136346591.db2.gz XDXOWXUMZSCBGO-CQSZACIVSA-N 1 2 340.427 3.694 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2c(F)cccc2F)c1C ZINC000747860967 1136351658 /nfs/dbraw/zinc/35/16/58/1136351658.db2.gz JYJMTCHLZQOZFF-LBPRGKRZSA-N 1 2 349.381 3.546 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2c(F)cccc2F)c1C ZINC000747860964 1136351684 /nfs/dbraw/zinc/35/16/84/1136351684.db2.gz JYJMTCHLZQOZFF-GFCCVEGCSA-N 1 2 349.381 3.546 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C)c3ccc(Br)cc3)ccn12 ZINC001133956152 1136368428 /nfs/dbraw/zinc/36/84/28/1136368428.db2.gz AYMJLLVMJMNBSO-UHFFFAOYSA-N 1 2 344.212 3.682 20 0 EHADLO O=C(/C=C\c1cccc(F)c1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397355 1136375996 /nfs/dbraw/zinc/37/59/96/1136375996.db2.gz HIOCACSJSQMUEF-FPLPWBNLSA-N 1 2 340.398 3.694 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1nccc2ccccc21 ZINC000851399000 1136376127 /nfs/dbraw/zinc/37/61/27/1136376127.db2.gz KJHANFOIDHPELW-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1Cl ZINC000851398895 1136376365 /nfs/dbraw/zinc/37/63/65/1136376365.db2.gz IKWRUKXYSUAGRV-UHFFFAOYSA-N 1 2 348.805 3.948 20 0 EHADLO CC(C)c1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000851400065 1136376634 /nfs/dbraw/zinc/37/66/34/1136376634.db2.gz PUDAYZDVINHSTR-UHFFFAOYSA-N 1 2 339.439 3.673 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000851400484 1136376969 /nfs/dbraw/zinc/37/69/69/1136376969.db2.gz FCSFUYRCMHUOJR-RBUKOAKNSA-N 1 2 336.435 3.645 20 0 EHADLO O=C(OCCC[C@@H]1CCCCC1=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813962530 1136379045 /nfs/dbraw/zinc/37/90/45/1136379045.db2.gz HDGYNTPFSVIYBE-OALUTQOASA-N 1 2 343.467 3.734 20 0 EHADLO O=C(OCCC[C@@H]1CCCCC1=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813962530 1136379049 /nfs/dbraw/zinc/37/90/49/1136379049.db2.gz HDGYNTPFSVIYBE-OALUTQOASA-N 1 2 343.467 3.734 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(F)n2)CC1 ZINC000851787069 1136407277 /nfs/dbraw/zinc/40/72/77/1136407277.db2.gz NBXDZFQXTHHEBX-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170736053 1136430346 /nfs/dbraw/zinc/43/03/46/1136430346.db2.gz DVTGCRRJUAMEOJ-FJIDUMEYSA-N 1 2 347.524 3.876 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3cnc(Cl)s3)CC2)c1F ZINC000852109922 1136434343 /nfs/dbraw/zinc/43/43/43/1136434343.db2.gz INJWVEUFUKAHAN-UHFFFAOYSA-N 1 2 343.830 3.787 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3cnc(Cl)s3)CC2)c1F ZINC000852109922 1136434347 /nfs/dbraw/zinc/43/43/47/1136434347.db2.gz INJWVEUFUKAHAN-UHFFFAOYSA-N 1 2 343.830 3.787 20 0 EHADLO CCc1oc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1C(=O)OC ZINC000338942754 1136439928 /nfs/dbraw/zinc/43/99/28/1136439928.db2.gz OLQIBFHBABERNC-HNNXBMFYSA-N 1 2 334.441 3.634 20 0 EHADLO CCCCCC[C@H](CC)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000852266758 1136444307 /nfs/dbraw/zinc/44/43/07/1136444307.db2.gz STCLBBVLRZFFCD-DLBZAZTESA-N 1 2 334.508 3.836 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC000852308114 1136447351 /nfs/dbraw/zinc/44/73/51/1136447351.db2.gz VKKSTCITSVEUOC-UHFFFAOYSA-N 1 2 325.453 3.533 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC000852308114 1136447353 /nfs/dbraw/zinc/44/73/53/1136447353.db2.gz VKKSTCITSVEUOC-UHFFFAOYSA-N 1 2 325.453 3.533 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852442953 1136456572 /nfs/dbraw/zinc/45/65/72/1136456572.db2.gz ISMZPWVDQIGJCA-IAQYHMDHSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852442953 1136456573 /nfs/dbraw/zinc/45/65/73/1136456573.db2.gz ISMZPWVDQIGJCA-IAQYHMDHSA-N 1 2 330.255 3.670 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)CC1=CCCOC1 ZINC000852518563 1136461728 /nfs/dbraw/zinc/46/17/28/1136461728.db2.gz KCLSSTGZKQKROS-UHFFFAOYSA-N 1 2 331.847 3.613 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)CC1=CCCOC1 ZINC000852518563 1136461730 /nfs/dbraw/zinc/46/17/30/1136461730.db2.gz KCLSSTGZKQKROS-UHFFFAOYSA-N 1 2 331.847 3.613 20 0 EHADLO COc1cccc2c1[C@@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000814533826 1136468109 /nfs/dbraw/zinc/46/81/09/1136468109.db2.gz HQWMRGGSHFOIAL-SFHVURJKSA-N 1 2 348.402 3.654 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000853491533 1136537705 /nfs/dbraw/zinc/53/77/05/1136537705.db2.gz QNJKPGFQNVVNDT-PKOBYXMFSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000853491533 1136537707 /nfs/dbraw/zinc/53/77/07/1136537707.db2.gz QNJKPGFQNVVNDT-PKOBYXMFSA-N 1 2 327.472 3.605 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1=S ZINC000853544224 1136542960 /nfs/dbraw/zinc/54/29/60/1136542960.db2.gz QOOKAZBZQHYXOF-QGZVFWFLSA-N 1 2 349.475 3.826 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1=S ZINC000853544224 1136542964 /nfs/dbraw/zinc/54/29/64/1136542964.db2.gz QOOKAZBZQHYXOF-QGZVFWFLSA-N 1 2 349.475 3.826 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)-c1ccccc1C2 ZINC000853553550 1136544149 /nfs/dbraw/zinc/54/41/49/1136544149.db2.gz FPGMWBZDDLQFOI-GOSISDBHSA-N 1 2 349.478 3.674 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CC[C@@H](C3CCCCC3)C1)-c1ccccc1C2 ZINC000853553550 1136544150 /nfs/dbraw/zinc/54/41/50/1136544150.db2.gz FPGMWBZDDLQFOI-GOSISDBHSA-N 1 2 349.478 3.674 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000853607931 1136548879 /nfs/dbraw/zinc/54/88/79/1136548879.db2.gz YYWIPIRTVNQXTE-LBPRGKRZSA-N 1 2 334.407 3.931 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000853607931 1136548883 /nfs/dbraw/zinc/54/88/83/1136548883.db2.gz YYWIPIRTVNQXTE-LBPRGKRZSA-N 1 2 334.407 3.931 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCOc3ccccc3[C@@H]2C)[C@@H]1c1ccccc1 ZINC000853632878 1136550907 /nfs/dbraw/zinc/55/09/07/1136550907.db2.gz YMIISIGVINKZQE-FTRWYGJKSA-N 1 2 336.435 3.619 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCOc3ccccc3[C@@H]2C)[C@@H]1c1ccccc1 ZINC000853632878 1136550910 /nfs/dbraw/zinc/55/09/10/1136550910.db2.gz YMIISIGVINKZQE-FTRWYGJKSA-N 1 2 336.435 3.619 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC=CCCC1 ZINC001134953768 1136578036 /nfs/dbraw/zinc/57/80/36/1136578036.db2.gz QYAFDGPERINXRO-AWEZNQCLSA-N 1 2 347.409 3.876 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815301564 1136579300 /nfs/dbraw/zinc/57/93/00/1136579300.db2.gz IBMXNJXZSYVJSA-UHFFFAOYSA-N 1 2 349.818 3.500 20 0 EHADLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2ccsc2Cl)C1 ZINC000854080628 1136586544 /nfs/dbraw/zinc/58/65/44/1136586544.db2.gz VTDXCYRQOMSLEK-UHFFFAOYSA-N 1 2 346.843 3.620 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000815568344 1136611792 /nfs/dbraw/zinc/61/17/92/1136611792.db2.gz DKHVMQHWDJDZJX-USXIJHARSA-N 1 2 327.476 3.731 20 0 EHADLO COCC1CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000112331446 1136625822 /nfs/dbraw/zinc/62/58/22/1136625822.db2.gz XYNRWFKDRAJHDK-UHFFFAOYSA-N 1 2 335.498 3.657 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c[nH]1 ZINC000338967905 1136675022 /nfs/dbraw/zinc/67/50/22/1136675022.db2.gz JXTWKWVREQXSBH-QGZVFWFLSA-N 1 2 336.794 3.525 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c[nH]1 ZINC000338967905 1136675024 /nfs/dbraw/zinc/67/50/24/1136675024.db2.gz JXTWKWVREQXSBH-QGZVFWFLSA-N 1 2 336.794 3.525 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135395883 1136676212 /nfs/dbraw/zinc/67/62/12/1136676212.db2.gz GDNBTWVKGXANDV-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135410228 1136679427 /nfs/dbraw/zinc/67/94/27/1136679427.db2.gz UKRWXEQRCQETCF-UHFFFAOYSA-N 1 2 347.827 3.565 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1[C@H]1CCCOCC1 ZINC001170816276 1136689852 /nfs/dbraw/zinc/68/98/52/1136689852.db2.gz AXMHZMNBBBTOOL-WMZOPIPTSA-N 1 2 344.480 3.753 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1[C@H]1CCCOCC1 ZINC001170816276 1136689855 /nfs/dbraw/zinc/68/98/55/1136689855.db2.gz AXMHZMNBBBTOOL-WMZOPIPTSA-N 1 2 344.480 3.753 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000816564675 1136737285 /nfs/dbraw/zinc/73/72/85/1136737285.db2.gz MSZCJPJTSVRDBQ-ZROIWOOFSA-N 1 2 333.863 3.755 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000816564675 1136737288 /nfs/dbraw/zinc/73/72/88/1136737288.db2.gz MSZCJPJTSVRDBQ-ZROIWOOFSA-N 1 2 333.863 3.755 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000816609940 1136741240 /nfs/dbraw/zinc/74/12/40/1136741240.db2.gz SJYGKNOVHGBPLV-CQSZACIVSA-N 1 2 340.851 3.535 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609940 1136741243 /nfs/dbraw/zinc/74/12/43/1136741243.db2.gz SJYGKNOVHGBPLV-CQSZACIVSA-N 1 2 340.851 3.535 20 0 EHADLO COc1c(Cl)cc(NC(=O)c2cccc3[nH+]ccn32)cc1Cl ZINC000776872352 1136751877 /nfs/dbraw/zinc/75/18/77/1136751877.db2.gz YAGSUXAIESHNOD-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc2[nH+]1 ZINC000010896334 1136773534 /nfs/dbraw/zinc/77/35/34/1136773534.db2.gz LDEWFJASJVZVDQ-UHFFFAOYSA-N 1 2 343.770 3.548 20 0 EHADLO CCCCC1(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC001135843981 1136786417 /nfs/dbraw/zinc/78/64/17/1136786417.db2.gz IAWZLNOPNOITPT-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C[C@H](CC)O1 ZINC000817280806 1136790720 /nfs/dbraw/zinc/79/07/20/1136790720.db2.gz MHMIBYZNFMGOAY-GASCZTMLSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C[C@H](CC)O1 ZINC000817280806 1136790723 /nfs/dbraw/zinc/79/07/23/1136790723.db2.gz MHMIBYZNFMGOAY-GASCZTMLSA-N 1 2 329.362 3.821 20 0 EHADLO CC(C)c1nn(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c(=S)n1C ZINC000114444846 1136798040 /nfs/dbraw/zinc/79/80/40/1136798040.db2.gz XRLRLPMYUMRKPH-MRXNPFEDSA-N 1 2 330.501 3.521 20 0 EHADLO CC(C)c1nn(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c(=S)n1C ZINC000114444846 1136798041 /nfs/dbraw/zinc/79/80/41/1136798041.db2.gz XRLRLPMYUMRKPH-MRXNPFEDSA-N 1 2 330.501 3.521 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817363881 1136802854 /nfs/dbraw/zinc/80/28/54/1136802854.db2.gz ANSYJFZYRJWICF-SNVBAGLBSA-N 1 2 348.752 3.870 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817363881 1136802859 /nfs/dbraw/zinc/80/28/59/1136802859.db2.gz ANSYJFZYRJWICF-SNVBAGLBSA-N 1 2 348.752 3.870 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135897025 1136803132 /nfs/dbraw/zinc/80/31/32/1136803132.db2.gz OMOIBAOMKCHNST-INIZCTEOSA-N 1 2 331.419 3.783 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000856719382 1136803139 /nfs/dbraw/zinc/80/31/39/1136803139.db2.gz XOIDDQKNKFXTPY-SFHVURJKSA-N 1 2 339.476 3.710 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000856719382 1136803141 /nfs/dbraw/zinc/80/31/41/1136803141.db2.gz XOIDDQKNKFXTPY-SFHVURJKSA-N 1 2 339.476 3.710 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000817365040 1136803503 /nfs/dbraw/zinc/80/35/03/1136803503.db2.gz MNDZKLHKKDYQSG-RYUDHWBXSA-N 1 2 348.434 3.657 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000817365040 1136803505 /nfs/dbraw/zinc/80/35/05/1136803505.db2.gz MNDZKLHKKDYQSG-RYUDHWBXSA-N 1 2 348.434 3.657 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)[C@@H](c2ccco2)C1 ZINC000856727452 1136804489 /nfs/dbraw/zinc/80/44/89/1136804489.db2.gz NJURBFDNOFEDHB-DOTOQJQBSA-N 1 2 339.501 3.800 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)[C@@H](c2ccco2)C1 ZINC000856727452 1136804493 /nfs/dbraw/zinc/80/44/93/1136804493.db2.gz NJURBFDNOFEDHB-DOTOQJQBSA-N 1 2 339.501 3.800 20 0 EHADLO Clc1ccc(OC2CC[NH+](Cc3cncc(Cl)c3)CC2)nc1 ZINC000856746159 1136806349 /nfs/dbraw/zinc/80/63/49/1136806349.db2.gz ISUKWXCIJJXRBA-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO COc1cccc2c(N3CCC[C@](CO)(c4ccccc4)C3)cc[nH+]c12 ZINC000509496137 1136813163 /nfs/dbraw/zinc/81/31/63/1136813163.db2.gz RDVUJWKMTQCATO-QFIPXVFZSA-N 1 2 348.446 3.774 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1F ZINC001138030867 1136813819 /nfs/dbraw/zinc/81/38/19/1136813819.db2.gz VLERVHKRQWIQAS-IINYFYTJSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1F ZINC001138030867 1136813821 /nfs/dbraw/zinc/81/38/21/1136813821.db2.gz VLERVHKRQWIQAS-IINYFYTJSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CC[C@](F)(c4ccccc4F)C3)n21 ZINC000339000751 1136827430 /nfs/dbraw/zinc/82/74/30/1136827430.db2.gz VNQHZJDZDYYXSC-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CC[C@](F)(c4ccccc4F)C3)n21 ZINC000339000751 1136827434 /nfs/dbraw/zinc/82/74/34/1136827434.db2.gz VNQHZJDZDYYXSC-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000818218179 1136866593 /nfs/dbraw/zinc/86/65/93/1136866593.db2.gz ZNYNSQWBFUJCNX-UHFFFAOYSA-N 1 2 342.773 3.594 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(OC2CCCC2)c1 ZINC000857856180 1136913179 /nfs/dbraw/zinc/91/31/79/1136913179.db2.gz GQTAUERLTWJNGL-GOSISDBHSA-N 1 2 341.455 3.907 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCc3ccc(Cl)nc32)nc2cc(F)ccc21 ZINC000857905493 1136920151 /nfs/dbraw/zinc/92/01/51/1136920151.db2.gz IKCAGEGFLUIQTL-LBPRGKRZSA-N 1 2 330.794 3.538 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000857976332 1136927035 /nfs/dbraw/zinc/92/70/35/1136927035.db2.gz BHUWLYLLESRJEB-WDMOLILDSA-N 1 2 336.222 3.555 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984404 1136927187 /nfs/dbraw/zinc/92/71/87/1136927187.db2.gz ZTCKDHJENZMNQH-DPQIITEBSA-N 1 2 335.329 3.566 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984571 1136927225 /nfs/dbraw/zinc/92/72/25/1136927225.db2.gz CEOXDHPFMYRKIN-RISCZKNCSA-N 1 2 337.345 3.657 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987748 1136927423 /nfs/dbraw/zinc/92/74/23/1136927423.db2.gz ZKJBZIKILOYVCB-HNNXBMFYSA-N 1 2 327.453 3.816 20 0 EHADLO Cc1ccc(SC2(C(=O)N[C@H]3CCn4c[nH+]cc43)CCCC2)cc1 ZINC000857986356 1136927521 /nfs/dbraw/zinc/92/75/21/1136927521.db2.gz MRGWBYUPWAYFPY-INIZCTEOSA-N 1 2 341.480 3.858 20 0 EHADLO Cc1ccc2c(CCC(=O)N3CCNc4[nH+]cc(C)cc43)c[nH]c2c1 ZINC000857997257 1136928269 /nfs/dbraw/zinc/92/82/69/1136928269.db2.gz LJHYDRMTBNCVDG-UHFFFAOYSA-N 1 2 334.423 3.571 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)CCN2 ZINC000857997332 1136928271 /nfs/dbraw/zinc/92/82/71/1136928271.db2.gz KHMQXWXCDHYLEP-AWEZNQCLSA-N 1 2 349.356 3.885 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@H](C)c1c[nH]c3ccccc31)CCN2 ZINC000858000821 1136928627 /nfs/dbraw/zinc/92/86/27/1136928627.db2.gz NDYZTRZNSMDYKR-AWEZNQCLSA-N 1 2 334.423 3.824 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014444 1136931343 /nfs/dbraw/zinc/93/13/43/1136931343.db2.gz LHYQWBSJPKZSLI-MRXNPFEDSA-N 1 2 329.469 3.631 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014444 1136931344 /nfs/dbraw/zinc/93/13/44/1136931344.db2.gz LHYQWBSJPKZSLI-MRXNPFEDSA-N 1 2 329.469 3.631 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccnc1Cl ZINC000858016118 1136931621 /nfs/dbraw/zinc/93/16/21/1136931621.db2.gz AHQQJGAWDKIATQ-OAHLLOKOSA-N 1 2 347.821 3.800 20 0 EHADLO Fc1c(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccnc1Cl ZINC000858016118 1136931622 /nfs/dbraw/zinc/93/16/22/1136931622.db2.gz AHQQJGAWDKIATQ-OAHLLOKOSA-N 1 2 347.821 3.800 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccnc1Cl ZINC000858016117 1136931942 /nfs/dbraw/zinc/93/19/42/1136931942.db2.gz AHQQJGAWDKIATQ-HNNXBMFYSA-N 1 2 347.821 3.800 20 0 EHADLO Fc1c(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccnc1Cl ZINC000858016117 1136931945 /nfs/dbraw/zinc/93/19/45/1136931945.db2.gz AHQQJGAWDKIATQ-HNNXBMFYSA-N 1 2 347.821 3.800 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017345 1136932530 /nfs/dbraw/zinc/93/25/30/1136932530.db2.gz NQVBUGXYFJLHHH-YOEHRIQHSA-N 1 2 346.471 3.532 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017345 1136932532 /nfs/dbraw/zinc/93/25/32/1136932532.db2.gz NQVBUGXYFJLHHH-YOEHRIQHSA-N 1 2 346.471 3.532 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037940 1136934390 /nfs/dbraw/zinc/93/43/90/1136934390.db2.gz XTDGIVHWDBQICN-GJZGRUSLSA-N 1 2 329.444 3.890 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037940 1136934392 /nfs/dbraw/zinc/93/43/92/1136934392.db2.gz XTDGIVHWDBQICN-GJZGRUSLSA-N 1 2 329.444 3.890 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819409221 1136937109 /nfs/dbraw/zinc/93/71/09/1136937109.db2.gz POESXSBVSBQCGQ-UHFFFAOYSA-N 1 2 340.471 3.568 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819429263 1136943858 /nfs/dbraw/zinc/94/38/58/1136943858.db2.gz MNIKBJIVIFMTPH-GOEBONIOSA-N 1 2 340.801 3.748 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819429263 1136943859 /nfs/dbraw/zinc/94/38/59/1136943859.db2.gz MNIKBJIVIFMTPH-GOEBONIOSA-N 1 2 340.801 3.748 20 0 EHADLO Cc1ccc(Oc2ccccc2CC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC001136227007 1136944364 /nfs/dbraw/zinc/94/43/64/1136944364.db2.gz ULWLMCZYEJMTCF-QGZVFWFLSA-N 1 2 349.434 3.731 20 0 EHADLO CCC(F)(F)C(C)(C)CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000858165719 1136945526 /nfs/dbraw/zinc/94/55/26/1136945526.db2.gz LSMJTKICPVJBMX-UHFFFAOYSA-N 1 2 343.418 3.578 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)[C@H](CC)CN1C(C)=O ZINC000339011178 1136954721 /nfs/dbraw/zinc/95/47/21/1136954721.db2.gz QEDHFTHKFSXNJP-HUUCEWRRSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)[C@H](CC)CN1C(C)=O ZINC000339011178 1136954724 /nfs/dbraw/zinc/95/47/24/1136954724.db2.gz QEDHFTHKFSXNJP-HUUCEWRRSA-N 1 2 326.843 3.700 20 0 EHADLO CC(C)(C)OC(=O)NCC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000858376129 1136962849 /nfs/dbraw/zinc/96/28/49/1136962849.db2.gz HOUMTMZEPRIINJ-UHFFFAOYSA-N 1 2 341.455 3.976 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000820018311 1136970308 /nfs/dbraw/zinc/97/03/08/1136970308.db2.gz PNWHAMKPAKEMAA-DZGCQCFKSA-N 1 2 342.468 3.957 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000777037753 1136978570 /nfs/dbraw/zinc/97/85/70/1136978570.db2.gz MJQQFAMTKNAHJX-INIZCTEOSA-N 1 2 341.361 3.980 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)c1c[nH+]ccc1Nc1ccccc1 ZINC001136345399 1136993746 /nfs/dbraw/zinc/99/37/46/1136993746.db2.gz VHEAZZWGBDQUMP-UHFFFAOYSA-N 1 2 343.308 3.917 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)OCc1cccc(Cl)c1 ZINC000858902614 1136996514 /nfs/dbraw/zinc/99/65/14/1136996514.db2.gz PLSNUZANDJFYIM-UHFFFAOYSA-N 1 2 345.830 3.630 20 0 EHADLO FC(F)(F)c1cc(Cl)c(N2CC[NH+](C3CC3)CC2)nc1Cl ZINC000820645366 1137001284 /nfs/dbraw/zinc/00/12/84/1137001284.db2.gz RJVMUZCPJZSBFR-UHFFFAOYSA-N 1 2 340.176 3.692 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC000859134685 1137004755 /nfs/dbraw/zinc/00/47/55/1137004755.db2.gz FGLMZHSUCYFNKY-CQSZACIVSA-N 1 2 333.819 3.590 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000859181675 1137006847 /nfs/dbraw/zinc/00/68/47/1137006847.db2.gz SMCFFGISTIMAKO-BPJJOFIESA-N 1 2 333.482 3.543 20 0 EHADLO Cc1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccco1 ZINC000820841447 1137008112 /nfs/dbraw/zinc/00/81/12/1137008112.db2.gz LGBPKNUNKGCHLM-QGZVFWFLSA-N 1 2 336.439 3.589 20 0 EHADLO CCOc1cccc(/C=C/C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000859220684 1137008272 /nfs/dbraw/zinc/00/82/72/1137008272.db2.gz GSMOUQUQYUZDIV-VAWYXSNFSA-N 1 2 339.439 3.502 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3cc(Cl)n(C)n3)c(C)c2c1 ZINC000859250948 1137009784 /nfs/dbraw/zinc/00/97/84/1137009784.db2.gz RLCZNVKQWVFQHS-NSHDSACASA-N 1 2 333.819 3.988 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccc(Br)cc1F ZINC000859300655 1137011134 /nfs/dbraw/zinc/01/11/34/1137011134.db2.gz CPBPKSCUFBNFCY-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1c(F)cccc1F ZINC000821312002 1137022024 /nfs/dbraw/zinc/02/20/24/1137022024.db2.gz SLBLAECYKTZVHQ-WKFLNTIRSA-N 1 2 339.407 3.950 20 0 EHADLO CCOCC[N@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000859830270 1137033574 /nfs/dbraw/zinc/03/35/74/1137033574.db2.gz QNKSWBBBTOMDSZ-KRWDZBQOSA-N 1 2 343.471 3.893 20 0 EHADLO CCOCC[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000859830270 1137033576 /nfs/dbraw/zinc/03/35/76/1137033576.db2.gz QNKSWBBBTOMDSZ-KRWDZBQOSA-N 1 2 343.471 3.893 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)o1 ZINC000859896376 1137036457 /nfs/dbraw/zinc/03/64/57/1137036457.db2.gz QVTNONAEITXQEQ-UHFFFAOYSA-N 1 2 344.459 3.903 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc2scnc2c1 ZINC001136532649 1137047593 /nfs/dbraw/zinc/04/75/93/1137047593.db2.gz ULXCRLPEPOEMQY-LBPRGKRZSA-N 1 2 340.330 3.625 20 0 EHADLO C[N@H+](Cc1ncc(C(F)(F)F)s1)C[C@](C)(O)c1ccccc1 ZINC000822515602 1137064224 /nfs/dbraw/zinc/06/42/24/1137064224.db2.gz CMASYYAHSJBMLU-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1ncc(C(F)(F)F)s1)C[C@](C)(O)c1ccccc1 ZINC000822515602 1137064226 /nfs/dbraw/zinc/06/42/26/1137064226.db2.gz CMASYYAHSJBMLU-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001136596676 1137064729 /nfs/dbraw/zinc/06/47/29/1137064729.db2.gz PVWKMWXTFLNZRY-QGZVFWFLSA-N 1 2 346.515 3.802 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)[C@@H]2CCCCO2)ccc1-n1cc[nH+]c1 ZINC001136625792 1137073243 /nfs/dbraw/zinc/07/32/43/1137073243.db2.gz ZHGCCIKDJGSQMO-KRWDZBQOSA-N 1 2 327.428 3.715 20 0 EHADLO Cc1cc(NC(=O)c2cccc3c2CCOC3)ccc1-n1cc[nH+]c1 ZINC001136625454 1137073322 /nfs/dbraw/zinc/07/33/22/1137073322.db2.gz KVNVYJSOURWWNY-UHFFFAOYSA-N 1 2 333.391 3.506 20 0 EHADLO Cc1cnc(Cl)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001136625519 1137073327 /nfs/dbraw/zinc/07/33/27/1137073327.db2.gz NITMSUNQZLMANH-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO CC(C)Oc1cccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)c1 ZINC000822771309 1137074947 /nfs/dbraw/zinc/07/49/47/1137074947.db2.gz UNHBYCWTGIZCGX-SFHVURJKSA-N 1 2 335.407 3.759 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136637985 1137077645 /nfs/dbraw/zinc/07/76/45/1137077645.db2.gz JTOAILPKKVYMHG-ILXRZTDVSA-N 1 2 343.393 3.805 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Br)c(F)cc2F)[C@@](C)(CO)C1 ZINC001136849837 1137131433 /nfs/dbraw/zinc/13/14/33/1137131433.db2.gz ZVOVFGJVVFZFEZ-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CCN1C1CCCCC1 ZINC001171006475 1137087692 /nfs/dbraw/zinc/08/76/92/1137087692.db2.gz HRAUZSZKPMSYIY-GOSISDBHSA-N 1 2 332.875 3.632 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CCN1C1CCCCC1 ZINC001171006475 1137087694 /nfs/dbraw/zinc/08/76/94/1137087694.db2.gz HRAUZSZKPMSYIY-GOSISDBHSA-N 1 2 332.875 3.632 20 0 EHADLO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661898 1137089287 /nfs/dbraw/zinc/08/92/87/1137089287.db2.gz FTCSRIBQMDXVSQ-INIZCTEOSA-N 1 2 344.817 3.709 20 0 EHADLO O=C1c2ccccc2CN1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661898 1137089288 /nfs/dbraw/zinc/08/92/88/1137089288.db2.gz FTCSRIBQMDXVSQ-INIZCTEOSA-N 1 2 344.817 3.709 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000823311721 1137093691 /nfs/dbraw/zinc/09/36/91/1137093691.db2.gz PBHHYBRSNRQLJF-OTWHNJEPSA-N 1 2 339.483 3.835 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)nc2cc(F)ccc21 ZINC000823937794 1137119987 /nfs/dbraw/zinc/11/99/87/1137119987.db2.gz JZXCMWGPVKCSSC-LBPRGKRZSA-N 1 2 349.331 3.907 20 0 EHADLO O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136834710 1137126525 /nfs/dbraw/zinc/12/65/25/1137126525.db2.gz ZHUQKZKOWOKEIN-UTKZUKDTSA-N 1 2 343.430 3.608 20 0 EHADLO COc1ccccc1Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160340818 1137129342 /nfs/dbraw/zinc/12/93/42/1137129342.db2.gz FJZNCOHZLKRKPR-KRWDZBQOSA-N 1 2 334.366 3.815 20 0 EHADLO CC(C)C[C@H](C(=O)NCCC[C@@H]1CC1(Cl)Cl)n1cc[nH+]c1 ZINC000824245727 1137130116 /nfs/dbraw/zinc/13/01/16/1137130116.db2.gz DZYYDBPRUJBMHG-CHWSQXEVSA-N 1 2 332.275 3.561 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Br)c(F)cc2F)[C@@](C)(CO)C1 ZINC001136849837 1137131432 /nfs/dbraw/zinc/13/14/32/1137131432.db2.gz ZVOVFGJVVFZFEZ-OAHLLOKOSA-N 1 2 348.231 3.710 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC001136857396 1137132593 /nfs/dbraw/zinc/13/25/93/1137132593.db2.gz CQRBQBAAROSNPE-QFBILLFUSA-N 1 2 340.471 3.694 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](Cc1cn(C)nc1Br)C1CC1 ZINC000862217860 1137132688 /nfs/dbraw/zinc/13/26/88/1137132688.db2.gz VQGKBWUPKDGXNJ-LBPRGKRZSA-N 1 2 334.261 3.908 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](Cc1cn(C)nc1Br)C1CC1 ZINC000862217860 1137132690 /nfs/dbraw/zinc/13/26/90/1137132690.db2.gz VQGKBWUPKDGXNJ-LBPRGKRZSA-N 1 2 334.261 3.908 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)C[C@H]12 ZINC001136856516 1137132704 /nfs/dbraw/zinc/13/27/04/1137132704.db2.gz KOYNKRQSJQUMLU-ONGXEEELSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)C[C@H]12 ZINC001136856516 1137132705 /nfs/dbraw/zinc/13/27/05/1137132705.db2.gz KOYNKRQSJQUMLU-ONGXEEELSA-N 1 2 344.199 3.528 20 0 EHADLO Cc1ccn2c(C[N@@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cnc2c1 ZINC001136891539 1137141353 /nfs/dbraw/zinc/14/13/53/1137141353.db2.gz UHBRGUASIPTFOT-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1ccn2c(C[N@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cnc2c1 ZINC001136891539 1137141354 /nfs/dbraw/zinc/14/13/54/1137141354.db2.gz UHBRGUASIPTFOT-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 ZINC000824673369 1137147619 /nfs/dbraw/zinc/14/76/19/1137147619.db2.gz RIBFMOURSABRCE-AWEZNQCLSA-N 1 2 328.403 3.633 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)s1 ZINC000862541038 1137149140 /nfs/dbraw/zinc/14/91/40/1137149140.db2.gz LUBAMPJYEWFXJS-LBPRGKRZSA-N 1 2 327.494 3.612 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)s1 ZINC000862541038 1137149141 /nfs/dbraw/zinc/14/91/41/1137149141.db2.gz LUBAMPJYEWFXJS-LBPRGKRZSA-N 1 2 327.494 3.612 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925514 1137149665 /nfs/dbraw/zinc/14/96/65/1137149665.db2.gz CGFBEABPXWKGMJ-HNNXBMFYSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925514 1137149666 /nfs/dbraw/zinc/14/96/66/1137149666.db2.gz CGFBEABPXWKGMJ-HNNXBMFYSA-N 1 2 339.867 3.614 20 0 EHADLO CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000824807776 1137153308 /nfs/dbraw/zinc/15/33/08/1137153308.db2.gz QCWDVDUUSGWJQN-QGZVFWFLSA-N 1 2 349.434 3.773 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000794444986 1137156301 /nfs/dbraw/zinc/15/63/01/1137156301.db2.gz OHDSIOQNCPGZPJ-IAQYHMDHSA-N 1 2 325.239 3.905 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000794444986 1137156302 /nfs/dbraw/zinc/15/63/02/1137156302.db2.gz OHDSIOQNCPGZPJ-IAQYHMDHSA-N 1 2 325.239 3.905 20 0 EHADLO CCc1nc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2C)co1 ZINC000825050356 1137163322 /nfs/dbraw/zinc/16/33/22/1137163322.db2.gz LDRFTSMWPJVEMW-UHFFFAOYSA-N 1 2 338.455 3.697 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)o1 ZINC000825086589 1137165124 /nfs/dbraw/zinc/16/51/24/1137165124.db2.gz UEDSRRKZHLDDGU-UHFFFAOYSA-N 1 2 344.846 3.815 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)s1 ZINC000339052668 1137170772 /nfs/dbraw/zinc/17/07/72/1137170772.db2.gz NXCWSLYLKJLVCX-UHFFFAOYSA-N 1 2 331.363 3.692 20 0 EHADLO c1cncc(C[NH+](Cc2cccnc2)Cc2ccc3c(c2)COC3)c1 ZINC001137027318 1137175165 /nfs/dbraw/zinc/17/51/65/1137175165.db2.gz SPASAMDEVAXOFC-UHFFFAOYSA-N 1 2 331.419 3.709 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CCCn2cc[nH+]c2)C1 ZINC000863257210 1137178231 /nfs/dbraw/zinc/17/82/31/1137178231.db2.gz PCNHXIADBXNVCF-KRWDZBQOSA-N 1 2 325.456 3.915 20 0 EHADLO CC[C@@H]1[N@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@]12CCC(=O)N2 ZINC001143621914 1137183580 /nfs/dbraw/zinc/18/35/80/1137183580.db2.gz BAJODPXLZVXWHS-GUYCJALGSA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@@H]1[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@]12CCC(=O)N2 ZINC001143621914 1137183581 /nfs/dbraw/zinc/18/35/81/1137183581.db2.gz BAJODPXLZVXWHS-GUYCJALGSA-N 1 2 342.817 3.641 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001143641124 1137185461 /nfs/dbraw/zinc/18/54/61/1137185461.db2.gz GKQAJQPUVJWOPT-RLFYNMQTSA-N 1 2 332.492 3.511 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001143641124 1137185462 /nfs/dbraw/zinc/18/54/62/1137185462.db2.gz GKQAJQPUVJWOPT-RLFYNMQTSA-N 1 2 332.492 3.511 20 0 EHADLO Cc1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC001143677254 1137188526 /nfs/dbraw/zinc/18/85/26/1137188526.db2.gz WFLFPSDYTZYAAL-UHFFFAOYSA-N 1 2 338.373 3.925 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000119481579 1137189476 /nfs/dbraw/zinc/18/94/76/1137189476.db2.gz IUSGWCFQOFZPNX-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000119481579 1137189478 /nfs/dbraw/zinc/18/94/78/1137189478.db2.gz IUSGWCFQOFZPNX-GFCCVEGCSA-N 1 2 336.892 3.961 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(OC(C)C)cc3)no2)c1 ZINC000863660106 1137197340 /nfs/dbraw/zinc/19/73/40/1137197340.db2.gz SOMHONFUHNTSGC-QGZVFWFLSA-N 1 2 339.395 3.581 20 0 EHADLO C[C@@H](c1cccs1)c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000863662314 1137197526 /nfs/dbraw/zinc/19/75/26/1137197526.db2.gz LDSUQOCJUWTCDU-HEHGZKQESA-N 1 2 343.452 3.888 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000119591472 1137199183 /nfs/dbraw/zinc/19/91/83/1137199183.db2.gz WRNYSWONGNCXNN-CQSZACIVSA-N 1 2 328.485 3.970 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000119591472 1137199184 /nfs/dbraw/zinc/19/91/84/1137199184.db2.gz WRNYSWONGNCXNN-CQSZACIVSA-N 1 2 328.485 3.970 20 0 EHADLO c1cn(Cc2cccc(-c3ccc(N4CCSCC4)nc3)c2)c[nH+]1 ZINC000863690468 1137199488 /nfs/dbraw/zinc/19/94/88/1137199488.db2.gz QRYSQJNIADZXIL-UHFFFAOYSA-N 1 2 336.464 3.547 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001171106938 1137199568 /nfs/dbraw/zinc/19/95/68/1137199568.db2.gz OSBAHEKUAFHODU-HNNXBMFYSA-N 1 2 335.407 3.891 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001143791065 1137200083 /nfs/dbraw/zinc/20/00/83/1137200083.db2.gz DMKREUYXPZIMAH-SNVBAGLBSA-N 1 2 339.329 3.754 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000844131343 1137200107 /nfs/dbraw/zinc/20/01/07/1137200107.db2.gz NVGSQCWMRHGVAQ-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3occc3C2)cc1OC(F)(F)F ZINC001143879125 1137208350 /nfs/dbraw/zinc/20/83/50/1137208350.db2.gz XWGADSOKHNLFLD-UHFFFAOYSA-N 1 2 327.302 3.745 20 0 EHADLO COc1ccc(C[N@H+]2CCc3occc3C2)cc1OC(F)(F)F ZINC001143879125 1137208352 /nfs/dbraw/zinc/20/83/52/1137208352.db2.gz XWGADSOKHNLFLD-UHFFFAOYSA-N 1 2 327.302 3.745 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143879919 1137209092 /nfs/dbraw/zinc/20/90/92/1137209092.db2.gz BGSCXLRSCBHKPA-HTQZYQBOSA-N 1 2 328.161 3.967 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143879919 1137209094 /nfs/dbraw/zinc/20/90/94/1137209094.db2.gz BGSCXLRSCBHKPA-HTQZYQBOSA-N 1 2 328.161 3.967 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844371785 1137213077 /nfs/dbraw/zinc/21/30/77/1137213077.db2.gz OSKJBPMXXIUMEL-SFHVURJKSA-N 1 2 349.862 3.549 20 0 EHADLO CCCCc1noc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844371785 1137213079 /nfs/dbraw/zinc/21/30/79/1137213079.db2.gz OSKJBPMXXIUMEL-SFHVURJKSA-N 1 2 349.862 3.549 20 0 EHADLO Cc1c(CN2CC[NH+](Cc3cccnc3)CC2)cccc1C(F)(F)F ZINC001143917988 1137215050 /nfs/dbraw/zinc/21/50/50/1137215050.db2.gz TTZLPEQGXJDXNP-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1-n1cc[nH+]c1 ZINC001143939294 1137216509 /nfs/dbraw/zinc/21/65/09/1137216509.db2.gz CSDIIFDCRZIYPV-UHFFFAOYSA-N 1 2 348.381 3.982 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000844424638 1137219880 /nfs/dbraw/zinc/21/98/80/1137219880.db2.gz JQOPUBCDEWKINF-NSHDSACASA-N 1 2 330.881 3.883 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000844424638 1137219882 /nfs/dbraw/zinc/21/98/82/1137219882.db2.gz JQOPUBCDEWKINF-NSHDSACASA-N 1 2 330.881 3.883 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794620494 1137221287 /nfs/dbraw/zinc/22/12/87/1137221287.db2.gz OTYGSQCMPZBEJM-HNNXBMFYSA-N 1 2 346.500 3.800 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794620494 1137221288 /nfs/dbraw/zinc/22/12/88/1137221288.db2.gz OTYGSQCMPZBEJM-HNNXBMFYSA-N 1 2 346.500 3.800 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C)n1Cc1ccco1 ZINC000844454721 1137221452 /nfs/dbraw/zinc/22/14/52/1137221452.db2.gz ULCILLREMYKSEG-RRQGHBQHSA-N 1 2 348.393 3.514 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C)n1Cc1ccco1 ZINC000844454721 1137221453 /nfs/dbraw/zinc/22/14/53/1137221453.db2.gz ULCILLREMYKSEG-RRQGHBQHSA-N 1 2 348.393 3.514 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438375 1137222592 /nfs/dbraw/zinc/22/25/92/1137222592.db2.gz NTLDPNYCMRGMQX-ZUZCIYMTSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438375 1137222593 /nfs/dbraw/zinc/22/25/93/1137222593.db2.gz NTLDPNYCMRGMQX-ZUZCIYMTSA-N 1 2 346.780 3.927 20 0 EHADLO Cc1ccc([C@H]2CC[N@@H+](Cn3nc(N(C)C)sc3=S)C2)c(C)c1 ZINC000794656127 1137224480 /nfs/dbraw/zinc/22/44/80/1137224480.db2.gz POAOILOYMFIUIL-AWEZNQCLSA-N 1 2 348.541 3.804 20 0 EHADLO Cc1ccc([C@H]2CC[N@H+](Cn3nc(N(C)C)sc3=S)C2)c(C)c1 ZINC000794656127 1137224482 /nfs/dbraw/zinc/22/44/82/1137224482.db2.gz POAOILOYMFIUIL-AWEZNQCLSA-N 1 2 348.541 3.804 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682656 1137226164 /nfs/dbraw/zinc/22/61/64/1137226164.db2.gz BANUQBLDIBTPJI-CQSZACIVSA-N 1 2 346.500 3.880 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682656 1137226166 /nfs/dbraw/zinc/22/61/66/1137226166.db2.gz BANUQBLDIBTPJI-CQSZACIVSA-N 1 2 346.500 3.880 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C[C@@H]1O ZINC001144039174 1137233193 /nfs/dbraw/zinc/23/31/93/1137233193.db2.gz RDNGLOIBFJNCAC-CPCISQLKSA-N 1 2 328.161 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C[C@@H]1O ZINC001144039174 1137233194 /nfs/dbraw/zinc/23/31/94/1137233194.db2.gz RDNGLOIBFJNCAC-CPCISQLKSA-N 1 2 328.161 3.825 20 0 EHADLO COc1ccc(C[NH+]2CC(c3cccnc3)C2)c(OC(F)(F)F)c1 ZINC001144055657 1137235356 /nfs/dbraw/zinc/23/53/56/1137235356.db2.gz HYNAVGZXTMXQRJ-UHFFFAOYSA-N 1 2 338.329 3.588 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138619 1137243018 /nfs/dbraw/zinc/24/30/18/1137243018.db2.gz YGRFHTLALDPHRR-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138619 1137243020 /nfs/dbraw/zinc/24/30/20/1137243020.db2.gz YGRFHTLALDPHRR-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO CC[N@H+](Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CCCC1 ZINC000844684295 1137246643 /nfs/dbraw/zinc/24/66/43/1137246643.db2.gz DGRXLPHIHNQATQ-UHFFFAOYSA-N 1 2 337.876 3.847 20 0 EHADLO CC[N@@H+](Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CCCC1 ZINC000844684295 1137246645 /nfs/dbraw/zinc/24/66/45/1137246645.db2.gz DGRXLPHIHNQATQ-UHFFFAOYSA-N 1 2 337.876 3.847 20 0 EHADLO O=C1C=C(c2ccc(Cl)cc2)CN1C[N@@H+]1CCc2ccsc2C1 ZINC000844697254 1137248445 /nfs/dbraw/zinc/24/84/45/1137248445.db2.gz FLNYJMADRSHTRA-UHFFFAOYSA-N 1 2 344.867 3.643 20 0 EHADLO O=C1C=C(c2ccc(Cl)cc2)CN1C[N@H+]1CCc2ccsc2C1 ZINC000844697254 1137248447 /nfs/dbraw/zinc/24/84/47/1137248447.db2.gz FLNYJMADRSHTRA-UHFFFAOYSA-N 1 2 344.867 3.643 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844704320 1137248831 /nfs/dbraw/zinc/24/88/31/1137248831.db2.gz MMCZTMDXUFRHDF-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844704320 1137248832 /nfs/dbraw/zinc/24/88/32/1137248832.db2.gz MMCZTMDXUFRHDF-UHFFFAOYSA-N 1 2 337.876 3.705 20 0 EHADLO CCSc1nn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844748076 1137249507 /nfs/dbraw/zinc/24/95/07/1137249507.db2.gz OYVXMWDXXNGUCU-NSHDSACASA-N 1 2 337.486 3.865 20 0 EHADLO CCSc1nn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844748076 1137249508 /nfs/dbraw/zinc/24/95/08/1137249508.db2.gz OYVXMWDXXNGUCU-NSHDSACASA-N 1 2 337.486 3.865 20 0 EHADLO CSc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000844844101 1137259378 /nfs/dbraw/zinc/25/93/78/1137259378.db2.gz OQECLRSCSUIVEO-CQSZACIVSA-N 1 2 344.484 3.862 20 0 EHADLO COc1cc(-c2noc(Cn3c[nH+]c(C(C)(C)C)c3)n2)ccc1C ZINC000865376514 1137278501 /nfs/dbraw/zinc/27/85/01/1137278501.db2.gz QTVQNOUVEXYLEL-UHFFFAOYSA-N 1 2 326.400 3.596 20 0 EHADLO Cc1cc([C@@H]2CCCN2c2cc(NCc3ccccc3)[nH+]cn2)no1 ZINC000865433034 1137283220 /nfs/dbraw/zinc/28/32/20/1137283220.db2.gz WUQSTOSVXQVKKH-KRWDZBQOSA-N 1 2 335.411 3.727 20 0 EHADLO Cc1cc([C@@H]2CCCN2c2cc(NCc3ccccc3)nc[nH+]2)no1 ZINC000865433034 1137283222 /nfs/dbraw/zinc/28/32/22/1137283222.db2.gz WUQSTOSVXQVKKH-KRWDZBQOSA-N 1 2 335.411 3.727 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845287174 1137283596 /nfs/dbraw/zinc/28/35/96/1137283596.db2.gz WAVJOASJQHXPGD-WBVHZDCISA-N 1 2 331.504 3.731 20 0 EHADLO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(CC3CCC3)c2)c2ccccc21 ZINC000865487507 1137287984 /nfs/dbraw/zinc/28/79/84/1137287984.db2.gz FIPSGMGVWWGESJ-LJQANCHMSA-N 1 2 341.476 3.647 20 0 EHADLO CC(C)COc1ccc(COC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845449931 1137292681 /nfs/dbraw/zinc/29/26/81/1137292681.db2.gz PXKQBWWFOMAZOW-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cnc3c(F)cccc3c2)no1 ZINC000865533104 1137292709 /nfs/dbraw/zinc/29/27/09/1137292709.db2.gz WSKAQHVZIDUWNL-UHFFFAOYSA-N 1 2 343.402 3.967 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001144446048 1137294595 /nfs/dbraw/zinc/29/45/95/1137294595.db2.gz KLDMYQBVKVHHBV-KRWDZBQOSA-N 1 2 337.467 3.568 20 0 EHADLO CC(C)Oc1cccc([C@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845521945 1137296710 /nfs/dbraw/zinc/29/67/10/1137296710.db2.gz HHNBSKKFARFGFR-HNNXBMFYSA-N 1 2 342.439 3.854 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)OCCCc3[nH+]ccn3C)n2C)c1 ZINC000845523400 1137296847 /nfs/dbraw/zinc/29/68/47/1137296847.db2.gz XLWRSCJFYYHVML-UHFFFAOYSA-N 1 2 337.423 3.524 20 0 EHADLO CN(c1ccc(Nc2ccc(N)cc2CCO)c[nH+]1)C1CCCCC1 ZINC001212614460 1137298663 /nfs/dbraw/zinc/29/86/63/1137298663.db2.gz OPYNNWRFRBLEEF-UHFFFAOYSA-N 1 2 340.471 3.711 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000120643729 1137299038 /nfs/dbraw/zinc/29/90/38/1137299038.db2.gz XRCINEXEVIQVGQ-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000120643729 1137299040 /nfs/dbraw/zinc/29/90/40/1137299040.db2.gz XRCINEXEVIQVGQ-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO COCc1ccccc1/C=C(/C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845578955 1137299472 /nfs/dbraw/zinc/29/94/72/1137299472.db2.gz NHHOEQXPCZHVPG-DDITZMBXSA-N 1 2 328.412 3.627 20 0 EHADLO Cc1cnccc1[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845581679 1137299550 /nfs/dbraw/zinc/29/95/50/1137299550.db2.gz HINMTKYBAUBECW-JXFKEZNVSA-N 1 2 335.407 3.870 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000845583751 1137299987 /nfs/dbraw/zinc/29/99/87/1137299987.db2.gz VLVUOPLPJPAJIP-QGZVFWFLSA-N 1 2 346.377 3.661 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000845651693 1137303583 /nfs/dbraw/zinc/30/35/83/1137303583.db2.gz OLJUONDUOUNEEF-GJZGRUSLSA-N 1 2 325.819 3.698 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(C(F)(F)F)s2)n1 ZINC000865806824 1137313184 /nfs/dbraw/zinc/31/31/84/1137313184.db2.gz FLZTYUCRGCZCDP-UHFFFAOYSA-N 1 2 325.306 3.728 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccc(C(C)(C)C)o2)c1Br ZINC000865815455 1137313988 /nfs/dbraw/zinc/31/39/88/1137313988.db2.gz ZQCVYTACHWCFFY-UHFFFAOYSA-N 1 2 340.265 3.671 20 0 EHADLO FC1(F)C[C@]12CCCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000865911266 1137319958 /nfs/dbraw/zinc/31/99/58/1137319958.db2.gz QLXSNAQYJYZMGD-KRWDZBQOSA-N 1 2 330.382 3.714 20 0 EHADLO FC1(F)C[C@]12CCCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000865911266 1137319960 /nfs/dbraw/zinc/31/99/60/1137319960.db2.gz QLXSNAQYJYZMGD-KRWDZBQOSA-N 1 2 330.382 3.714 20 0 EHADLO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144659591 1137327299 /nfs/dbraw/zinc/32/72/99/1137327299.db2.gz MKCBPYAWXLKWJZ-ZDUSSCGKSA-N 1 2 349.377 3.624 20 0 EHADLO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144659591 1137327301 /nfs/dbraw/zinc/32/73/01/1137327301.db2.gz MKCBPYAWXLKWJZ-ZDUSSCGKSA-N 1 2 349.377 3.624 20 0 EHADLO OCC1(Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)Cc2ccccc2C1 ZINC001171207724 1137327903 /nfs/dbraw/zinc/32/79/03/1137327903.db2.gz WMXIYZDSWKBSDE-UHFFFAOYSA-N 1 2 348.368 3.617 20 0 EHADLO Cc1cccc(C(=O)NC2CCN(c3[nH+]ccc4ccccc43)CC2)c1 ZINC000866078644 1137328322 /nfs/dbraw/zinc/32/83/22/1137328322.db2.gz DUWMLGGDGPCUBY-UHFFFAOYSA-N 1 2 345.446 3.942 20 0 EHADLO COCc1cc[nH+]c(NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000846118249 1137333958 /nfs/dbraw/zinc/33/39/58/1137333958.db2.gz WBCYZQQZNQLZHB-LSDHHAIUSA-N 1 2 349.475 3.676 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]12C[C@H]1CCCC2 ZINC000866199548 1137335056 /nfs/dbraw/zinc/33/50/56/1137335056.db2.gz MGLWCQXIXUGSHP-WIYYLYMNSA-N 1 2 341.499 3.727 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1cccc(F)c1)c1ccccc1F ZINC000866234345 1137337276 /nfs/dbraw/zinc/33/72/76/1137337276.db2.gz MZWOCETUPVGSDL-GOSISDBHSA-N 1 2 342.393 3.650 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H](CF)c1ccc(F)cc1 ZINC000866241329 1137338109 /nfs/dbraw/zinc/33/81/09/1137338109.db2.gz BKAJCPONYOVENH-AWEZNQCLSA-N 1 2 331.370 3.843 20 0 EHADLO ClC1(Cl)C[C@H]1CCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000846212445 1137343600 /nfs/dbraw/zinc/34/36/00/1137343600.db2.gz DTIRGEYEDYHKON-MWLCHTKSSA-N 1 2 331.272 3.519 20 0 EHADLO c1ccc(CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccn2)cc1 ZINC000866363409 1137349771 /nfs/dbraw/zinc/34/97/71/1137349771.db2.gz JZWUCIMRAYYFDT-GOSISDBHSA-N 1 2 333.439 3.541 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC001144927960 1137364585 /nfs/dbraw/zinc/36/45/85/1137364585.db2.gz UHZOWCMZVGRUCJ-FUHIMQAGSA-N 1 2 344.499 3.727 20 0 EHADLO CCc1cccc2c(C3CC[NH+](Cc4cnsn4)CC3)c[nH]c21 ZINC000846779439 1137365296 /nfs/dbraw/zinc/36/52/96/1137365296.db2.gz DPFWOQYVEHIWTE-UHFFFAOYSA-N 1 2 326.469 3.961 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846769977 1137366601 /nfs/dbraw/zinc/36/66/01/1137366601.db2.gz RFNIGZSISBGKGN-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846769977 1137366603 /nfs/dbraw/zinc/36/66/03/1137366603.db2.gz RFNIGZSISBGKGN-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO C/C(=C\c1ccco1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000846860934 1137370053 /nfs/dbraw/zinc/37/00/53/1137370053.db2.gz ISYFCFIQLNMZMA-MDJJKAFGSA-N 1 2 340.423 3.715 20 0 EHADLO CCOC(=O)/C=C/c1ccc[nH+]c1NCc1cc(C)c(OC)cc1C ZINC001160770614 1137370592 /nfs/dbraw/zinc/37/05/92/1137370592.db2.gz AIWVLTMLKBXNIK-CMDGGOBGSA-N 1 2 340.423 3.895 20 0 EHADLO CC(=O)C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000846936948 1137376323 /nfs/dbraw/zinc/37/63/23/1137376323.db2.gz DLEAXRXVPGTIEH-UHFFFAOYSA-N 1 2 330.653 3.904 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccnc(Cl)c3)n2)cc1 ZINC000121724080 1137383181 /nfs/dbraw/zinc/38/31/81/1137383181.db2.gz ZUDPEGXLWMOHHA-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)n1 ZINC000847033318 1137383606 /nfs/dbraw/zinc/38/36/06/1137383606.db2.gz HXIVYVYCMQBYRQ-UHFFFAOYSA-N 1 2 348.516 3.841 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000867843808 1137387786 /nfs/dbraw/zinc/38/77/86/1137387786.db2.gz HHNPDPSWLDTVGZ-IBGZPJMESA-N 1 2 347.462 3.912 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000867843809 1137387901 /nfs/dbraw/zinc/38/79/01/1137387901.db2.gz HHNPDPSWLDTVGZ-LJQANCHMSA-N 1 2 347.462 3.912 20 0 EHADLO Cc1ccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c(N(C)C)[nH+]1 ZINC000127862738 1137407407 /nfs/dbraw/zinc/40/74/07/1137407407.db2.gz GSIOTAQEOVEDLD-UHFFFAOYSA-N 1 2 344.846 3.700 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc2c1OCC2 ZINC001147453005 1137407586 /nfs/dbraw/zinc/40/75/86/1137407586.db2.gz USFHQNZWBIGZGJ-INIZCTEOSA-N 1 2 333.391 3.505 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000868621788 1137416791 /nfs/dbraw/zinc/41/67/91/1137416791.db2.gz MRZGJGYEZKJZSM-GOSISDBHSA-N 1 2 344.434 3.680 20 0 EHADLO Cc1cc(CNC(=O)[C@H](Cc2cccnc2)C2CCCC2)cc(C)[nH+]1 ZINC000868909598 1137428275 /nfs/dbraw/zinc/42/82/75/1137428275.db2.gz IMFWPOIXWWVJQI-HXUWFJFHSA-N 1 2 337.467 3.759 20 0 EHADLO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001148877874 1137435906 /nfs/dbraw/zinc/43/59/06/1137435906.db2.gz BMEUTUGGWSDQMV-UHFFFAOYSA-N 1 2 347.418 3.802 20 0 EHADLO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001148877874 1137435907 /nfs/dbraw/zinc/43/59/07/1137435907.db2.gz BMEUTUGGWSDQMV-UHFFFAOYSA-N 1 2 347.418 3.802 20 0 EHADLO O=C(c1cccc(-c2ccccc2)c1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001148866532 1137436756 /nfs/dbraw/zinc/43/67/56/1137436756.db2.gz LAWLCAPIZDPLSP-INIZCTEOSA-N 1 2 347.418 3.802 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)OCc1ccccc1 ZINC001171341431 1137439573 /nfs/dbraw/zinc/43/95/73/1137439573.db2.gz OYBFBUMEZOONAJ-SUMWQHHRSA-N 1 2 345.389 3.544 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(Br)c3cccnc23)n1 ZINC000348097481 1137440044 /nfs/dbraw/zinc/44/00/44/1137440044.db2.gz PNJKXSLMQQQTDD-SECBINFHSA-N 1 2 347.216 3.540 20 0 EHADLO CC(C)n1cccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282711931 1137440445 /nfs/dbraw/zinc/44/04/45/1137440445.db2.gz GNVMUYWNZHLZLF-MRXNPFEDSA-N 1 2 340.471 3.622 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c(F)cn1 ZINC000348106032 1137441240 /nfs/dbraw/zinc/44/12/40/1137441240.db2.gz PJSBWJOEPATJAB-ZDUSSCGKSA-N 1 2 345.418 3.797 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c(F)c1 ZINC000773002421 1137458328 /nfs/dbraw/zinc/45/83/28/1137458328.db2.gz RPPMOHNRSNUIJM-NSHDSACASA-N 1 2 331.366 3.711 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1c2cc(F)ccc2oc1=O ZINC000773299140 1137487624 /nfs/dbraw/zinc/48/76/24/1137487624.db2.gz BZOPBAFKDFBBGB-HNNXBMFYSA-N 1 2 342.370 3.537 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1c2cc(F)ccc2oc1=O ZINC000773299140 1137487625 /nfs/dbraw/zinc/48/76/25/1137487625.db2.gz BZOPBAFKDFBBGB-HNNXBMFYSA-N 1 2 342.370 3.537 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)O1 ZINC000870349459 1137489504 /nfs/dbraw/zinc/48/95/04/1137489504.db2.gz ONCQWSFCAGXSQT-LBTNJELSSA-N 1 2 340.423 3.605 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171464014 1137490824 /nfs/dbraw/zinc/49/08/24/1137490824.db2.gz ZDHNBOMWWMEELD-YJBOKZPZSA-N 1 2 337.410 3.534 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21)[NH+]1CCSCC1 ZINC001171498166 1137492032 /nfs/dbraw/zinc/49/20/32/1137492032.db2.gz HQOOEJVRPQMRPZ-DOTOQJQBSA-N 1 2 346.540 3.675 20 0 EHADLO CC1=C(C)C[C@](C)(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001171541851 1137494172 /nfs/dbraw/zinc/49/41/72/1137494172.db2.gz NMXJEKKFWQRKIW-OAQYLSRUSA-N 1 2 342.483 3.563 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504365 1137494662 /nfs/dbraw/zinc/49/46/62/1137494662.db2.gz ATAWWVPTCIURQW-SWLSCSKDSA-N 1 2 343.389 3.529 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001171777581 1137510069 /nfs/dbraw/zinc/51/00/69/1137510069.db2.gz CBTMXEUXVZFRHA-MRXNPFEDSA-N 1 2 339.483 3.750 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001171777581 1137510070 /nfs/dbraw/zinc/51/00/70/1137510070.db2.gz CBTMXEUXVZFRHA-MRXNPFEDSA-N 1 2 339.483 3.750 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000871078587 1137521582 /nfs/dbraw/zinc/52/15/82/1137521582.db2.gz WEKWPIRSDHUZOZ-HXUWFJFHSA-N 1 2 325.456 3.596 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172348310 1137553292 /nfs/dbraw/zinc/55/32/92/1137553292.db2.gz PNFGMSCBAORXBC-GLJUWKHASA-N 1 2 327.415 3.932 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172348310 1137553293 /nfs/dbraw/zinc/55/32/93/1137553293.db2.gz PNFGMSCBAORXBC-GLJUWKHASA-N 1 2 327.415 3.932 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4ncccc34)c[nH+]2)C[C@@H](C)O1 ZINC000871861920 1137561239 /nfs/dbraw/zinc/56/12/39/1137561239.db2.gz PWGBPKPXXOTZLE-HZPDHXFCSA-N 1 2 348.450 3.856 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cc(O)ccc1F)c1ccc(F)c(F)c1 ZINC000872053110 1137568277 /nfs/dbraw/zinc/56/82/77/1137568277.db2.gz IAUHFCQJSJDLTC-BTDLBPIBSA-N 1 2 325.330 3.848 20 0 EHADLO [NH3+][C@H](c1nc(CC2CCCC2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872183064 1137575502 /nfs/dbraw/zinc/57/55/02/1137575502.db2.gz ZAASAXYPODABDJ-AWEZNQCLSA-N 1 2 325.334 3.869 20 0 EHADLO CCC[C@H](OC)c1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182456 1137575545 /nfs/dbraw/zinc/57/55/45/1137575545.db2.gz MTPNGEBMILZTMA-RYUDHWBXSA-N 1 2 329.322 3.624 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000872476570 1137580591 /nfs/dbraw/zinc/58/05/91/1137580591.db2.gz WWHZDJHNURPWKL-UHFFFAOYSA-N 1 2 346.834 3.510 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000872476570 1137580592 /nfs/dbraw/zinc/58/05/92/1137580592.db2.gz WWHZDJHNURPWKL-UHFFFAOYSA-N 1 2 346.834 3.510 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000873129100 1137590777 /nfs/dbraw/zinc/59/07/77/1137590777.db2.gz GUVCOBXZKCRNAA-ZWNOBZJWSA-N 1 2 338.224 3.889 20 0 EHADLO CCc1ncc(C[NH2+]Cc2c(C)ccc(Br)c2F)o1 ZINC000873130018 1137590940 /nfs/dbraw/zinc/59/09/40/1137590940.db2.gz WINQOJNJBALCMK-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO CCCc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873817245 1137607025 /nfs/dbraw/zinc/60/70/25/1137607025.db2.gz XALYTGDUACXUNU-AWEZNQCLSA-N 1 2 325.334 3.968 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000874346797 1137613239 /nfs/dbraw/zinc/61/32/39/1137613239.db2.gz QEPNXJSZWJJSFS-OALUTQOASA-N 1 2 325.456 3.624 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+](C)[C@@H](C)c3ccccc3)nn2)cc1 ZINC000876545287 1137654951 /nfs/dbraw/zinc/65/49/51/1137654951.db2.gz CLXLGGGMCAAJQM-INIZCTEOSA-N 1 2 336.439 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+](C)[C@@H](C)c3ccccc3)nn2)cc1 ZINC000876545287 1137654952 /nfs/dbraw/zinc/65/49/52/1137654952.db2.gz CLXLGGGMCAAJQM-INIZCTEOSA-N 1 2 336.439 3.528 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876655151 1137658335 /nfs/dbraw/zinc/65/83/35/1137658335.db2.gz FBXAEXMAZPEMMZ-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876655151 1137658336 /nfs/dbraw/zinc/65/83/36/1137658336.db2.gz FBXAEXMAZPEMMZ-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@@]1(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)C[C@H]1c1ccccc1 ZINC000876666319 1137658695 /nfs/dbraw/zinc/65/86/95/1137658695.db2.gz HROLJJHPTSWMTD-ZWOKBUDYSA-N 1 2 339.439 3.514 20 0 EHADLO C[C@@]1(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)C[C@H]1c1ccccc1 ZINC000876666319 1137658696 /nfs/dbraw/zinc/65/86/96/1137658696.db2.gz HROLJJHPTSWMTD-ZWOKBUDYSA-N 1 2 339.439 3.514 20 0 EHADLO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1ncc(Cl)s1 ZINC001137111599 1137659831 /nfs/dbraw/zinc/65/98/31/1137659831.db2.gz BQXRWCANEYVRSU-UHFFFAOYSA-N 1 2 333.885 3.533 20 0 EHADLO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1ncc(Cl)s1 ZINC001137111599 1137659832 /nfs/dbraw/zinc/65/98/32/1137659832.db2.gz BQXRWCANEYVRSU-UHFFFAOYSA-N 1 2 333.885 3.533 20 0 EHADLO Cc1ccnc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1Br ZINC000876740478 1137660162 /nfs/dbraw/zinc/66/01/62/1137660162.db2.gz OBLGJJBHGMPIGW-INIZCTEOSA-N 1 2 349.272 3.708 20 0 EHADLO Cc1ccnc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1Br ZINC000876740478 1137660163 /nfs/dbraw/zinc/66/01/63/1137660163.db2.gz OBLGJJBHGMPIGW-INIZCTEOSA-N 1 2 349.272 3.708 20 0 EHADLO Cc1cnc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)s1 ZINC000876751855 1137660434 /nfs/dbraw/zinc/66/04/34/1137660434.db2.gz ZIJCGHWYSVVGBC-UHFFFAOYSA-N 1 2 348.859 3.568 20 0 EHADLO Cc1c(Cl)cccc1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000876760589 1137660539 /nfs/dbraw/zinc/66/05/39/1137660539.db2.gz VUVRDISQOFUMRO-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO Cc1c(Cl)cccc1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000876760589 1137660540 /nfs/dbraw/zinc/66/05/40/1137660540.db2.gz VUVRDISQOFUMRO-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000876792851 1137661583 /nfs/dbraw/zinc/66/15/83/1137661583.db2.gz WFSNRGVGBZZGPO-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000876792851 1137661584 /nfs/dbraw/zinc/66/15/84/1137661584.db2.gz WFSNRGVGBZZGPO-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)o1 ZINC000126237647 1137664960 /nfs/dbraw/zinc/66/49/60/1137664960.db2.gz LIIBBWSMQDZHPE-IRXDYDNUSA-N 1 2 335.831 3.602 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2)o1 ZINC000126237647 1137664961 /nfs/dbraw/zinc/66/49/61/1137664961.db2.gz LIIBBWSMQDZHPE-IRXDYDNUSA-N 1 2 335.831 3.602 20 0 EHADLO COc1nsc(C[NH2+]Cc2c(C)cccc2F)c1Br ZINC000877067042 1137669257 /nfs/dbraw/zinc/66/92/57/1137669257.db2.gz ASRHHDWVHZDYAI-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO CCN1C(=O)CCc2cc(NCc3[nH+]cc(C)c(OC)c3C)ccc21 ZINC000877347858 1137674712 /nfs/dbraw/zinc/67/47/12/1137674712.db2.gz UBUKWWOAEIDFPG-UHFFFAOYSA-N 1 2 339.439 3.618 20 0 EHADLO CN(C)CC[N@H+](CCc1ccccc1)Cc1ccc(C(F)F)nc1 ZINC000877523062 1137679569 /nfs/dbraw/zinc/67/95/69/1137679569.db2.gz VYWMCFYZELRDRJ-UHFFFAOYSA-N 1 2 333.426 3.626 20 0 EHADLO CN(C)CC[N@@H+](CCc1ccccc1)Cc1ccc(C(F)F)nc1 ZINC000877523062 1137679570 /nfs/dbraw/zinc/67/95/70/1137679570.db2.gz VYWMCFYZELRDRJ-UHFFFAOYSA-N 1 2 333.426 3.626 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)[nH]1 ZINC000877560295 1137681260 /nfs/dbraw/zinc/68/12/60/1137681260.db2.gz MPNNJSYJCNIOHD-UHFFFAOYSA-N 1 2 345.447 3.565 20 0 EHADLO FC1(F)C[C@@]12CC[N@H+](Cc1nc(Cl)ccc1Br)C2 ZINC000877616656 1137683230 /nfs/dbraw/zinc/68/32/30/1137683230.db2.gz MMBHOUZAMHZIGT-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@@]12CC[N@@H+](Cc1nc(Cl)ccc1Br)C2 ZINC000877616656 1137683231 /nfs/dbraw/zinc/68/32/31/1137683231.db2.gz MMBHOUZAMHZIGT-LLVKDONJSA-N 1 2 337.595 3.729 20 0 EHADLO CC(C)(NCc1c[nH+]c2n1CCC2)c1nc2cc(Cl)ccc2o1 ZINC000877669024 1137685061 /nfs/dbraw/zinc/68/50/61/1137685061.db2.gz UCTCBFXSSIDOCR-UHFFFAOYSA-N 1 2 330.819 3.649 20 0 EHADLO Cn1c(Cl)ncc1C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877669235 1137685186 /nfs/dbraw/zinc/68/51/86/1137685186.db2.gz ZEOLQCPCUGDSEA-UHFFFAOYSA-N 1 2 339.226 3.893 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000877731114 1137687048 /nfs/dbraw/zinc/68/70/48/1137687048.db2.gz QBGLITJARGGUHP-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000877731031 1137687058 /nfs/dbraw/zinc/68/70/58/1137687058.db2.gz LHHPXTSASCLEPF-UHFFFAOYSA-N 1 2 341.789 3.842 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763518 1137688741 /nfs/dbraw/zinc/68/87/41/1137688741.db2.gz AUONTCKGRXRKCB-ZDUSSCGKSA-N 1 2 349.265 3.768 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763518 1137688742 /nfs/dbraw/zinc/68/87/42/1137688742.db2.gz AUONTCKGRXRKCB-ZDUSSCGKSA-N 1 2 349.265 3.768 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000877825099 1137692330 /nfs/dbraw/zinc/69/23/30/1137692330.db2.gz XAIZCWBYIRUYCP-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000877825099 1137692331 /nfs/dbraw/zinc/69/23/31/1137692331.db2.gz XAIZCWBYIRUYCP-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO CC(C)(C)[C@H]1C[C@@]2(CCO1)[NH2+]C(C)(C)C(=O)N2CC1CCCCC1 ZINC000877856987 1137693565 /nfs/dbraw/zinc/69/35/65/1137693565.db2.gz JLGPQDRHFPJTRH-UZLBHIALSA-N 1 2 336.520 3.699 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)c(OC)c1 ZINC000877905683 1137695024 /nfs/dbraw/zinc/69/50/24/1137695024.db2.gz AQQWYKWRAAPRFD-QGZVFWFLSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)c(OC)c1 ZINC000877905683 1137695025 /nfs/dbraw/zinc/69/50/25/1137695025.db2.gz AQQWYKWRAAPRFD-QGZVFWFLSA-N 1 2 342.439 3.908 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H]2CCC3(CCC3)O2)o1 ZINC000877981688 1137698223 /nfs/dbraw/zinc/69/82/23/1137698223.db2.gz VSVCQKNZPNZVOS-QZTJIDSGSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H]2CCC3(CCC3)O2)o1 ZINC000877981688 1137698224 /nfs/dbraw/zinc/69/82/24/1137698224.db2.gz VSVCQKNZPNZVOS-QZTJIDSGSA-N 1 2 339.439 3.579 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878081657 1137701473 /nfs/dbraw/zinc/70/14/73/1137701473.db2.gz GJGWWGNYYMQQFV-UXHICEINSA-N 1 2 337.419 3.709 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878081657 1137701474 /nfs/dbraw/zinc/70/14/74/1137701474.db2.gz GJGWWGNYYMQQFV-UXHICEINSA-N 1 2 337.419 3.709 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3ccccc3O)o2)s1 ZINC000878084473 1137701561 /nfs/dbraw/zinc/70/15/61/1137701561.db2.gz UIWXXQSHJCBATE-LLVKDONJSA-N 1 2 344.440 3.709 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3O)o2)s1 ZINC000878084473 1137701562 /nfs/dbraw/zinc/70/15/62/1137701562.db2.gz UIWXXQSHJCBATE-LLVKDONJSA-N 1 2 344.440 3.709 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3ccccc3O)o2)s1 ZINC000878084474 1137701598 /nfs/dbraw/zinc/70/15/98/1137701598.db2.gz UIWXXQSHJCBATE-NSHDSACASA-N 1 2 344.440 3.709 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3O)o2)s1 ZINC000878084474 1137701599 /nfs/dbraw/zinc/70/15/99/1137701599.db2.gz UIWXXQSHJCBATE-NSHDSACASA-N 1 2 344.440 3.709 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+](CCC(F)(F)F)CC2CC2)o1 ZINC000878179084 1137706068 /nfs/dbraw/zinc/70/60/68/1137706068.db2.gz TZBALILIOOVKSC-UHFFFAOYSA-N 1 2 341.333 3.607 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+](CCC(F)(F)F)CC2CC2)o1 ZINC000878179084 1137706069 /nfs/dbraw/zinc/70/60/69/1137706069.db2.gz TZBALILIOOVKSC-UHFFFAOYSA-N 1 2 341.333 3.607 20 0 EHADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000878255843 1137708784 /nfs/dbraw/zinc/70/87/84/1137708784.db2.gz USMJNXUCTKKBJB-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000878255843 1137708785 /nfs/dbraw/zinc/70/87/85/1137708785.db2.gz USMJNXUCTKKBJB-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nnc(-c3cccc(O)c3)o2)c(C)s1 ZINC000878351367 1137712052 /nfs/dbraw/zinc/71/20/52/1137712052.db2.gz QQDMQJYAQOKKCF-NSHDSACASA-N 1 2 329.425 3.971 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2ccccc2OC)n1)c1ccccc1 ZINC000878357496 1137712353 /nfs/dbraw/zinc/71/23/53/1137712353.db2.gz LBCKYWKBBCONJW-SFHVURJKSA-N 1 2 338.407 3.828 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)co1 ZINC000878418211 1137715112 /nfs/dbraw/zinc/71/51/12/1137715112.db2.gz JPHJZOAWKFUBOQ-CQSZACIVSA-N 1 2 340.427 3.978 20 0 EHADLO C[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(F)c(Cl)c1 ZINC000878511323 1137718404 /nfs/dbraw/zinc/71/84/04/1137718404.db2.gz JDAMUMLZLVLZLG-UHFFFAOYSA-N 1 2 335.872 3.514 20 0 EHADLO C[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(F)c(Cl)c1 ZINC000878511323 1137718405 /nfs/dbraw/zinc/71/84/05/1137718405.db2.gz JDAMUMLZLVLZLG-UHFFFAOYSA-N 1 2 335.872 3.514 20 0 EHADLO C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616766 1137722537 /nfs/dbraw/zinc/72/25/37/1137722537.db2.gz SBVZLNXHTXPYTE-BZUAXINKSA-N 1 2 347.459 3.550 20 0 EHADLO C([C@H]1CCC2(CCC2)O1)[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616766 1137722538 /nfs/dbraw/zinc/72/25/38/1137722538.db2.gz SBVZLNXHTXPYTE-BZUAXINKSA-N 1 2 347.459 3.550 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CCC1 ZINC000878651067 1137723742 /nfs/dbraw/zinc/72/37/42/1137723742.db2.gz TYZYPHGCMSBDPG-LJQANCHMSA-N 1 2 326.440 3.547 20 0 EHADLO O=C(CC[C@@H]1CCc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000878737764 1137726766 /nfs/dbraw/zinc/72/67/66/1137726766.db2.gz ZGDSWJIRFSTJPI-SFHVURJKSA-N 1 2 337.467 3.900 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)sc1Br ZINC000878761753 1137727535 /nfs/dbraw/zinc/72/75/35/1137727535.db2.gz YTEZJGPQTJDHFT-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3cccnc3)C2)sc1Br ZINC000878761753 1137727536 /nfs/dbraw/zinc/72/75/36/1137727536.db2.gz YTEZJGPQTJDHFT-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO FC1(F)[C@H]2C[N@H+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@H]21 ZINC000878813655 1137728801 /nfs/dbraw/zinc/72/88/01/1137728801.db2.gz ZZGHKHVLJYVZON-GASCZTMLSA-N 1 2 327.334 3.587 20 0 EHADLO FC1(F)[C@H]2C[N@@H+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@H]21 ZINC000878813655 1137728802 /nfs/dbraw/zinc/72/88/02/1137728802.db2.gz ZZGHKHVLJYVZON-GASCZTMLSA-N 1 2 327.334 3.587 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878813181 1137728814 /nfs/dbraw/zinc/72/88/14/1137728814.db2.gz JMNCPSNBFPCEIL-XHDPSFHLSA-N 1 2 328.790 3.707 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878813181 1137728815 /nfs/dbraw/zinc/72/88/15/1137728815.db2.gz JMNCPSNBFPCEIL-XHDPSFHLSA-N 1 2 328.790 3.707 20 0 EHADLO Cl/C=C(\Cl)C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000878863562 1137730357 /nfs/dbraw/zinc/73/03/57/1137730357.db2.gz YPMSJKFIUJMTNC-UVTDQMKNSA-N 1 2 337.254 3.970 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878976957 1137734077 /nfs/dbraw/zinc/73/40/77/1137734077.db2.gz XYXZKOCULXRQQZ-INIZCTEOSA-N 1 2 342.468 3.587 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878976957 1137734078 /nfs/dbraw/zinc/73/40/78/1137734078.db2.gz XYXZKOCULXRQQZ-INIZCTEOSA-N 1 2 342.468 3.587 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000879015947 1137735430 /nfs/dbraw/zinc/73/54/30/1137735430.db2.gz HGXBLVLWJFGOIQ-OAHLLOKOSA-N 1 2 349.425 3.892 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000879015945 1137735445 /nfs/dbraw/zinc/73/54/45/1137735445.db2.gz HGXBLVLWJFGOIQ-HNNXBMFYSA-N 1 2 349.425 3.892 20 0 EHADLO CC[C@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(OC)c1OC ZINC000879464619 1137748455 /nfs/dbraw/zinc/74/84/55/1137748455.db2.gz PDEJSHKGKYTOSB-HNNXBMFYSA-N 1 2 330.428 3.812 20 0 EHADLO c1c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000879497697 1137749279 /nfs/dbraw/zinc/74/92/79/1137749279.db2.gz GDKXVSLEFVJEBF-LJQANCHMSA-N 1 2 346.434 3.721 20 0 EHADLO c1c(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000879497697 1137749280 /nfs/dbraw/zinc/74/92/80/1137749280.db2.gz GDKXVSLEFVJEBF-LJQANCHMSA-N 1 2 346.434 3.721 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)n1 ZINC000879564482 1137751244 /nfs/dbraw/zinc/75/12/44/1137751244.db2.gz JTCPMDDKNSESFK-CYBMUJFWSA-N 1 2 349.862 3.885 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](C[C@@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629361 1137752898 /nfs/dbraw/zinc/75/28/98/1137752898.db2.gz MQSXYOFVLOVXNG-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](C[C@@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629361 1137752899 /nfs/dbraw/zinc/75/28/99/1137752899.db2.gz MQSXYOFVLOVXNG-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1F ZINC000626126198 1137753940 /nfs/dbraw/zinc/75/39/40/1137753940.db2.gz JAYOVSNMKGBHOD-HNNXBMFYSA-N 1 2 345.418 3.864 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1F ZINC000626126198 1137753941 /nfs/dbraw/zinc/75/39/41/1137753941.db2.gz JAYOVSNMKGBHOD-HNNXBMFYSA-N 1 2 345.418 3.864 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747873 1137757709 /nfs/dbraw/zinc/75/77/09/1137757709.db2.gz SHMCVBKTRYUOPN-GOSISDBHSA-N 1 2 339.439 3.564 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747873 1137757710 /nfs/dbraw/zinc/75/77/10/1137757710.db2.gz SHMCVBKTRYUOPN-GOSISDBHSA-N 1 2 339.439 3.564 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3c(F)ccc(Cl)c3F)CC2)c1 ZINC001137882854 1137762067 /nfs/dbraw/zinc/76/20/67/1137762067.db2.gz ICZAWDAWYSDLDV-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000880004505 1137764635 /nfs/dbraw/zinc/76/46/35/1137764635.db2.gz WDGZSWCRVJCQGL-HNNXBMFYSA-N 1 2 343.324 3.574 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000880004505 1137764636 /nfs/dbraw/zinc/76/46/36/1137764636.db2.gz WDGZSWCRVJCQGL-HNNXBMFYSA-N 1 2 343.324 3.574 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102079 1137768343 /nfs/dbraw/zinc/76/83/43/1137768343.db2.gz SDGHFJRVVRYPFA-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)n1 ZINC000880191756 1137770579 /nfs/dbraw/zinc/77/05/79/1137770579.db2.gz PJBYDUPGDSUQLY-ROUUACIJSA-N 1 2 346.434 3.508 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)n1 ZINC000880191756 1137770580 /nfs/dbraw/zinc/77/05/80/1137770580.db2.gz PJBYDUPGDSUQLY-ROUUACIJSA-N 1 2 346.434 3.508 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)cc1 ZINC000880296969 1137773716 /nfs/dbraw/zinc/77/37/16/1137773716.db2.gz ICMGWHPXMMFZAP-QGZVFWFLSA-N 1 2 347.455 3.619 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@H](CF)C3)cc2)cc1 ZINC000880296969 1137773717 /nfs/dbraw/zinc/77/37/17/1137773717.db2.gz ICMGWHPXMMFZAP-QGZVFWFLSA-N 1 2 347.455 3.619 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@H](CF)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000880293562 1137773882 /nfs/dbraw/zinc/77/38/82/1137773882.db2.gz AXWYXYPHZOCONK-GFCCVEGCSA-N 1 2 343.427 3.855 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@H](CF)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000880293562 1137773883 /nfs/dbraw/zinc/77/38/83/1137773883.db2.gz AXWYXYPHZOCONK-GFCCVEGCSA-N 1 2 343.427 3.855 20 0 EHADLO Fc1cc(Br)cc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000880365080 1137776373 /nfs/dbraw/zinc/77/63/73/1137776373.db2.gz DSRHQGOYPGYFPA-UHFFFAOYSA-N 1 2 336.208 3.547 20 0 EHADLO COc1cccc(Cl)c1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000880804977 1137790238 /nfs/dbraw/zinc/79/02/38/1137790238.db2.gz ZDVNYPJXJDMJGQ-OAHLLOKOSA-N 1 2 345.830 3.657 20 0 EHADLO COc1cccc(Cl)c1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000880804977 1137790239 /nfs/dbraw/zinc/79/02/39/1137790239.db2.gz ZDVNYPJXJDMJGQ-OAHLLOKOSA-N 1 2 345.830 3.657 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1C ZINC000881063887 1137799279 /nfs/dbraw/zinc/79/92/79/1137799279.db2.gz ODLNBDNDZRTNJF-UHFFFAOYSA-N 1 2 325.412 3.840 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)no1 ZINC001137167925 1137811853 /nfs/dbraw/zinc/81/18/53/1137811853.db2.gz BHHXEJWEQBVXSQ-JTQLQIEISA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)no1 ZINC001137167925 1137811854 /nfs/dbraw/zinc/81/18/54/1137811854.db2.gz BHHXEJWEQBVXSQ-JTQLQIEISA-N 1 2 346.740 3.516 20 0 EHADLO COc1cccc2c(NC[C@@H]3CCC4(CCOCC4)CO3)cc[nH+]c12 ZINC000882787685 1137834243 /nfs/dbraw/zinc/83/42/43/1137834243.db2.gz WYWOBDOCWZMIBU-HNNXBMFYSA-N 1 2 342.439 3.631 20 0 EHADLO C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882870518 1137836212 /nfs/dbraw/zinc/83/62/12/1137836212.db2.gz KTNHKDZCEXLMCQ-JAXLGGSGSA-N 1 2 345.446 3.718 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(c1cccc[nH+]1)CCO2 ZINC000882873398 1137836348 /nfs/dbraw/zinc/83/63/48/1137836348.db2.gz ZGSXFVMFDYJXML-UHFFFAOYSA-N 1 2 341.411 3.828 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131208710 1137848416 /nfs/dbraw/zinc/84/84/16/1137848416.db2.gz OJODTCHNJFYVST-MRXNPFEDSA-N 1 2 347.480 3.625 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131208710 1137848417 /nfs/dbraw/zinc/84/84/17/1137848417.db2.gz OJODTCHNJFYVST-MRXNPFEDSA-N 1 2 347.480 3.625 20 0 EHADLO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883311873 1137853940 /nfs/dbraw/zinc/85/39/40/1137853940.db2.gz NKARWJWGHCUEFA-GOSISDBHSA-N 1 2 345.450 3.709 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883382987 1137858552 /nfs/dbraw/zinc/85/85/52/1137858552.db2.gz RENVEPGBQPIOSB-ICSRJNTNSA-N 1 2 329.415 3.827 20 0 EHADLO F[C@@H]1COc2ccccc2[C@@H]1N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388985 1137859188 /nfs/dbraw/zinc/85/91/88/1137859188.db2.gz IHDLDTKJGYYBLV-GGPKGHCWSA-N 1 2 337.398 3.686 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2F)c[nH+]1 ZINC000883683747 1137867099 /nfs/dbraw/zinc/86/70/99/1137867099.db2.gz KGINUDQDVQZMEN-MSOLQXFVSA-N 1 2 327.403 3.523 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cc(C)[nH+]1 ZINC000883695970 1137867449 /nfs/dbraw/zinc/86/74/49/1137867449.db2.gz RUWIYFRVRKURJY-QZTJIDSGSA-N 1 2 327.403 3.523 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)NCc1c[nH+]cn1C ZINC000883701800 1137867625 /nfs/dbraw/zinc/86/76/25/1137867625.db2.gz XEHSNQODPAUTIQ-FQEVSTJZSA-N 1 2 340.471 3.507 20 0 EHADLO CO[C@@]1(C)CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000348233306 1137870066 /nfs/dbraw/zinc/87/00/66/1137870066.db2.gz RBKLPECBPSICHC-SFHVURJKSA-N 1 2 332.469 3.723 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000348233306 1137870067 /nfs/dbraw/zinc/87/00/67/1137870067.db2.gz RBKLPECBPSICHC-SFHVURJKSA-N 1 2 332.469 3.723 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348245486 1137875106 /nfs/dbraw/zinc/87/51/06/1137875106.db2.gz KAGQBZOTJVOKJT-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348245486 1137875107 /nfs/dbraw/zinc/87/51/07/1137875107.db2.gz KAGQBZOTJVOKJT-KKZNHRDASA-N 1 2 336.304 3.565 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103316423 1137876031 /nfs/dbraw/zinc/87/60/31/1137876031.db2.gz GVWFWKQLLLNOTM-UHFFFAOYSA-N 1 2 340.471 3.516 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000104705874 1137879051 /nfs/dbraw/zinc/87/90/51/1137879051.db2.gz JJRJTFSPNXVEJW-MRXNPFEDSA-N 1 2 333.432 3.872 20 0 EHADLO Cc1ccc(N2CCC[N@H+](Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000133250158 1137882610 /nfs/dbraw/zinc/88/26/10/1137882610.db2.gz BMZSSFKVONPTSZ-UHFFFAOYSA-N 1 2 340.471 3.748 20 0 EHADLO Cc1ccc(N2CCC[N@@H+](Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000133250158 1137882611 /nfs/dbraw/zinc/88/26/11/1137882611.db2.gz BMZSSFKVONPTSZ-UHFFFAOYSA-N 1 2 340.471 3.748 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000800196570 1137902138 /nfs/dbraw/zinc/90/21/38/1137902138.db2.gz JKNHEAHNWHKMQZ-AWEZNQCLSA-N 1 2 339.222 3.735 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(CC)c2ccccc2)cs1 ZINC000111376435 1137904311 /nfs/dbraw/zinc/90/43/11/1137904311.db2.gz IENBBCATUCUWAT-ZIAGYGMSSA-N 1 2 331.485 3.798 20 0 EHADLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000112355649 1137907337 /nfs/dbraw/zinc/90/73/37/1137907337.db2.gz SLRXDVPZFJGJCB-NSHDSACASA-N 1 2 345.270 3.679 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000114747158 1137918728 /nfs/dbraw/zinc/91/87/28/1137918728.db2.gz QXDXENSHJMPSGJ-UWVGGRQHSA-N 1 2 329.322 3.942 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cn1cc(C)cnc1=S)C2 ZINC000133870340 1137919751 /nfs/dbraw/zinc/91/97/51/1137919751.db2.gz JPZDMRDFRHWXFZ-UHFFFAOYSA-N 1 2 329.469 3.726 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cn1cc(C)cnc1=S)C2 ZINC000133870340 1137919752 /nfs/dbraw/zinc/91/97/52/1137919752.db2.gz JPZDMRDFRHWXFZ-UHFFFAOYSA-N 1 2 329.469 3.726 20 0 EHADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccs1 ZINC000115032970 1137919917 /nfs/dbraw/zinc/91/99/17/1137919917.db2.gz WUASIEBJJXGBSN-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000332391185 1137942498 /nfs/dbraw/zinc/94/24/98/1137942498.db2.gz CXPSSRMUDPSGHC-KSSFIOAISA-N 1 2 326.444 3.869 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000332423149 1137943536 /nfs/dbraw/zinc/94/35/36/1137943536.db2.gz OKAOKJXOOGOISC-LBPRGKRZSA-N 1 2 346.818 3.677 20 0 EHADLO O=C(c1cc2c(s1)CCCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000120339836 1137948737 /nfs/dbraw/zinc/94/87/37/1137948737.db2.gz PQHSQNVJYMROIS-UHFFFAOYSA-N 1 2 329.469 3.691 20 0 EHADLO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(F)cc3F)nc(=O)c2c1C ZINC000120543434 1137950676 /nfs/dbraw/zinc/95/06/76/1137950676.db2.gz CFUVOVDSCSJANV-VIFPVBQESA-N 1 2 349.406 3.730 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2c1 ZINC000332997431 1137952528 /nfs/dbraw/zinc/95/25/28/1137952528.db2.gz ATZQKOSSAIJTEZ-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2c1 ZINC000332997431 1137952529 /nfs/dbraw/zinc/95/25/29/1137952529.db2.gz ATZQKOSSAIJTEZ-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO CC1(C)CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333053911 1137954086 /nfs/dbraw/zinc/95/40/86/1137954086.db2.gz QZBVEYYNEUKULZ-MRXNPFEDSA-N 1 2 344.503 3.687 20 0 EHADLO CC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000333123270 1137955951 /nfs/dbraw/zinc/95/59/51/1137955951.db2.gz HLSDKTKVLQJJRI-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC(C)(C)C1 ZINC000333215781 1137958533 /nfs/dbraw/zinc/95/85/33/1137958533.db2.gz DMQWJFZEEORGFJ-YFHUEUNASA-N 1 2 347.503 3.609 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884482009 1137961026 /nfs/dbraw/zinc/96/10/26/1137961026.db2.gz VDEHMTCFHBMYKQ-HUUCEWRRSA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884482009 1137961027 /nfs/dbraw/zinc/96/10/27/1137961027.db2.gz VDEHMTCFHBMYKQ-HUUCEWRRSA-N 1 2 347.509 3.799 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000884672686 1137966514 /nfs/dbraw/zinc/96/65/14/1137966514.db2.gz AKTDLMAONRJTGQ-AWEZNQCLSA-N 1 2 344.377 3.878 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000884702907 1137969139 /nfs/dbraw/zinc/96/91/39/1137969139.db2.gz NGXMWWIBYPCMHL-SFHVURJKSA-N 1 2 343.475 3.733 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000885667622 1138017236 /nfs/dbraw/zinc/01/72/36/1138017236.db2.gz LKHNTVFPDRWZSI-MRXNPFEDSA-N 1 2 340.423 3.573 20 0 EHADLO Cc1nc(C)c(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000885693449 1138018719 /nfs/dbraw/zinc/01/87/19/1138018719.db2.gz KSONFDPDXQBJAY-UHFFFAOYSA-N 1 2 341.436 3.540 20 0 EHADLO C[N@H+](CCOC1CCCCC1)Cc1nccn1Cc1ccccc1 ZINC000886024099 1138033283 /nfs/dbraw/zinc/03/32/83/1138033283.db2.gz YWANDTVNSVHREB-UHFFFAOYSA-N 1 2 327.472 3.713 20 0 EHADLO C[N@@H+](CCOC1CCCCC1)Cc1nccn1Cc1ccccc1 ZINC000886024099 1138033285 /nfs/dbraw/zinc/03/32/85/1138033285.db2.gz YWANDTVNSVHREB-UHFFFAOYSA-N 1 2 327.472 3.713 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000886438904 1138077926 /nfs/dbraw/zinc/07/79/26/1138077926.db2.gz LEBNEKWZTPAKBP-CQSZACIVSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000886438904 1138077928 /nfs/dbraw/zinc/07/79/28/1138077928.db2.gz LEBNEKWZTPAKBP-CQSZACIVSA-N 1 2 325.239 3.862 20 0 EHADLO FC(F)(F)[C@H]1C[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)CCO1 ZINC000348383955 1138078833 /nfs/dbraw/zinc/07/88/33/1138078833.db2.gz UTRCQQOKIMYQLF-GXTWGEPZSA-N 1 2 329.366 3.594 20 0 EHADLO Brc1ccc(-c2cnc(C[NH+]3CCSCC3)o2)cc1 ZINC000075638548 1138128852 /nfs/dbraw/zinc/12/88/52/1138128852.db2.gz UYJJSFAWLVAKLM-UHFFFAOYSA-N 1 2 339.258 3.653 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080913045 1138164852 /nfs/dbraw/zinc/16/48/52/1138164852.db2.gz JLCRWWUUSPFAOJ-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080913045 1138164853 /nfs/dbraw/zinc/16/48/53/1138164853.db2.gz JLCRWWUUSPFAOJ-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799905 1138171420 /nfs/dbraw/zinc/17/14/20/1138171420.db2.gz VEBYYIBXYUZSKJ-WBVHZDCISA-N 1 2 342.487 3.714 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@@H]3CCc4c3cccc4F)o2)cc1 ZINC000886924371 1138172733 /nfs/dbraw/zinc/17/27/33/1138172733.db2.gz XYBPYDUMQBUWEP-QGZVFWFLSA-N 1 2 339.370 3.661 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789206 1138185224 /nfs/dbraw/zinc/18/52/24/1138185224.db2.gz JHGVSWATQYCDHC-HOCLYGCPSA-N 1 2 332.444 3.781 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C ZINC000085789206 1138185226 /nfs/dbraw/zinc/18/52/26/1138185226.db2.gz JHGVSWATQYCDHC-HOCLYGCPSA-N 1 2 332.444 3.781 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)SCCn3cc[nH+]c3)n2)cc1F ZINC000090200320 1138210003 /nfs/dbraw/zinc/21/00/03/1138210003.db2.gz FVTSJGKGSKQCOH-LBPRGKRZSA-N 1 2 332.404 3.875 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887099262 1138210396 /nfs/dbraw/zinc/21/03/96/1138210396.db2.gz XTFFCRNCOFAELL-UHFFFAOYSA-N 1 2 346.805 3.797 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887099262 1138210398 /nfs/dbraw/zinc/21/03/98/1138210398.db2.gz XTFFCRNCOFAELL-UHFFFAOYSA-N 1 2 346.805 3.797 20 0 EHADLO CSc1ccccc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100771 1138210713 /nfs/dbraw/zinc/21/07/13/1138210713.db2.gz PNPVEQLERDUWSA-UHFFFAOYSA-N 1 2 328.428 3.857 20 0 EHADLO CSc1ccccc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100771 1138210717 /nfs/dbraw/zinc/21/07/17/1138210717.db2.gz PNPVEQLERDUWSA-UHFFFAOYSA-N 1 2 328.428 3.857 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cs1 ZINC000091723617 1138221152 /nfs/dbraw/zinc/22/11/52/1138221152.db2.gz FIHUQPLLRPYQQZ-NWDGAFQWSA-N 1 2 329.473 3.777 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000093417347 1138237778 /nfs/dbraw/zinc/23/77/78/1138237778.db2.gz NMKIEAZZISWYJP-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000093417347 1138237779 /nfs/dbraw/zinc/23/77/79/1138237779.db2.gz NMKIEAZZISWYJP-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000333370655 1138282331 /nfs/dbraw/zinc/28/23/31/1138282331.db2.gz WDEIIFODHTVZPB-IKGGRYGDSA-N 1 2 346.519 3.914 20 0 EHADLO O=c1[nH]nc(C2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)[nH]1 ZINC000333484690 1138295532 /nfs/dbraw/zinc/29/55/32/1138295532.db2.gz TXDMGDXNDFKWMO-UHFFFAOYSA-N 1 2 348.859 3.758 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125611162 1138312701 /nfs/dbraw/zinc/31/27/01/1138312701.db2.gz UAFCXBWRKBELAS-LPHOPBHVSA-N 1 2 341.455 3.785 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125746218 1138315376 /nfs/dbraw/zinc/31/53/76/1138315376.db2.gz MKLJIQCTKFLTID-UHFFFAOYSA-N 1 2 346.406 3.680 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263644920 1138334804 /nfs/dbraw/zinc/33/48/04/1138334804.db2.gz BHLTZSIYQGSDCY-UHFFFAOYSA-N 1 2 338.333 3.840 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000127253594 1138351050 /nfs/dbraw/zinc/35/10/50/1138351050.db2.gz QOOSIGDPMCJCGR-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263731816 1138351537 /nfs/dbraw/zinc/35/15/37/1138351537.db2.gz CRKKELUCYKESPN-CYBMUJFWSA-N 1 2 346.862 3.775 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127402243 1138356040 /nfs/dbraw/zinc/35/60/40/1138356040.db2.gz FNOFPYCSGMORRN-XJKSGUPXSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000263771459 1138361549 /nfs/dbraw/zinc/36/15/49/1138361549.db2.gz WOXODJVNGDEFSZ-UHFFFAOYSA-N 1 2 347.409 3.659 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263799831 1138369277 /nfs/dbraw/zinc/36/92/77/1138369277.db2.gz SKVPVBGUFRFODZ-UHFFFAOYSA-N 1 2 326.444 3.973 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128736013 1138396224 /nfs/dbraw/zinc/39/62/24/1138396224.db2.gz UYDILNMIIYYTED-DOTOQJQBSA-N 1 2 342.443 3.705 20 0 EHADLO Cc1nc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cc2s1 ZINC000336962604 1138436172 /nfs/dbraw/zinc/43/61/72/1138436172.db2.gz FMOFLLYGEGBUCR-UHFFFAOYSA-N 1 2 341.440 3.623 20 0 EHADLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000336964992 1138436319 /nfs/dbraw/zinc/43/63/19/1138436319.db2.gz IOGDESVKVYLZPY-CYBMUJFWSA-N 1 2 339.361 3.554 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000264216306 1138445559 /nfs/dbraw/zinc/44/55/59/1138445559.db2.gz WZLIPIJEGXYFDQ-MRXNPFEDSA-N 1 2 343.496 3.712 20 0 EHADLO Fc1ccc(C2CC[NH+](Cc3nnc4n3CCCCC4)CC2)cc1F ZINC000264223330 1138447318 /nfs/dbraw/zinc/44/73/18/1138447318.db2.gz WDCUHSOUBWTSJK-UHFFFAOYSA-N 1 2 346.425 3.662 20 0 EHADLO COc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1OC(F)F ZINC000264232497 1138449657 /nfs/dbraw/zinc/44/96/57/1138449657.db2.gz BXTHJTKWCGXZTB-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337064972 1138459326 /nfs/dbraw/zinc/45/93/26/1138459326.db2.gz ZNKOGLKEEBBOGJ-ARFHVFGLSA-N 1 2 332.492 3.543 20 0 EHADLO CC[C@H]1CCCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000264269462 1138460017 /nfs/dbraw/zinc/46/00/17/1138460017.db2.gz UMDLWMUMFXUTJX-IRXDYDNUSA-N 1 2 345.487 3.734 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264288790 1138464494 /nfs/dbraw/zinc/46/44/94/1138464494.db2.gz YNJBMQMDEUQBDD-CVEARBPZSA-N 1 2 333.476 3.588 20 0 EHADLO COc1c(C)ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000337128537 1138473452 /nfs/dbraw/zinc/47/34/52/1138473452.db2.gz IGJKNZVLBSCTHW-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO CCCc1noc(C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000130772866 1138475145 /nfs/dbraw/zinc/47/51/45/1138475145.db2.gz KFUPKVBXZRHBTB-AWEZNQCLSA-N 1 2 339.443 3.586 20 0 EHADLO CCCc1noc(C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000130772866 1138475148 /nfs/dbraw/zinc/47/51/48/1138475148.db2.gz KFUPKVBXZRHBTB-AWEZNQCLSA-N 1 2 339.443 3.586 20 0 EHADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904770 1138483430 /nfs/dbraw/zinc/48/34/30/1138483430.db2.gz CRRHRZRCOORTNQ-GSDQLPOLSA-N 1 2 327.799 3.558 20 0 EHADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130904770 1138483433 /nfs/dbraw/zinc/48/34/33/1138483433.db2.gz CRRHRZRCOORTNQ-GSDQLPOLSA-N 1 2 327.799 3.558 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2C)o1 ZINC000130924617 1138484461 /nfs/dbraw/zinc/48/44/61/1138484461.db2.gz DDWVNBYENUVJIX-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2C)o1 ZINC000130924617 1138484462 /nfs/dbraw/zinc/48/44/62/1138484462.db2.gz DDWVNBYENUVJIX-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199861 1138493590 /nfs/dbraw/zinc/49/35/90/1138493590.db2.gz ZGMSGOISXFNOIJ-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199861 1138493591 /nfs/dbraw/zinc/49/35/91/1138493591.db2.gz ZGMSGOISXFNOIJ-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000337249700 1138508681 /nfs/dbraw/zinc/50/86/81/1138508681.db2.gz LZUCFVJFBABFMR-SFHVURJKSA-N 1 2 349.409 3.700 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000264476989 1138529141 /nfs/dbraw/zinc/52/91/41/1138529141.db2.gz HELJTJPDQLTVMW-ZDUSSCGKSA-N 1 2 349.381 3.648 20 0 EHADLO CCCn1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C1CC1 ZINC000131660766 1138533688 /nfs/dbraw/zinc/53/36/88/1138533688.db2.gz DBIUMYQXGIALPU-UHFFFAOYSA-N 1 2 335.411 3.813 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)c1c[nH]c3ncccc13)CC2 ZINC000337390878 1138554022 /nfs/dbraw/zinc/55/40/22/1138554022.db2.gz HJXGTNUHFFISFK-CYBMUJFWSA-N 1 2 337.398 3.640 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)c1c[nH]c3ncccc13)CC2 ZINC000337390878 1138554026 /nfs/dbraw/zinc/55/40/26/1138554026.db2.gz HJXGTNUHFFISFK-CYBMUJFWSA-N 1 2 337.398 3.640 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000337397468 1138556427 /nfs/dbraw/zinc/55/64/27/1138556427.db2.gz JWCFMJCGWBHKNQ-CVDCTZTESA-N 1 2 331.456 3.803 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000337397468 1138556430 /nfs/dbraw/zinc/55/64/30/1138556430.db2.gz JWCFMJCGWBHKNQ-CVDCTZTESA-N 1 2 331.456 3.803 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283005728 1138582167 /nfs/dbraw/zinc/58/21/67/1138582167.db2.gz GUOIREKXZUFFJW-HZPDHXFCSA-N 1 2 336.435 3.911 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283005728 1138582170 /nfs/dbraw/zinc/58/21/70/1138582170.db2.gz GUOIREKXZUFFJW-HZPDHXFCSA-N 1 2 336.435 3.911 20 0 EHADLO CCSc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000337596169 1138616301 /nfs/dbraw/zinc/61/63/01/1138616301.db2.gz OZCRHBQYRFKQPZ-GOSISDBHSA-N 1 2 344.455 3.724 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264800200 1138642912 /nfs/dbraw/zinc/64/29/12/1138642912.db2.gz ULAZTHJYGPYMBD-RTWAWAEBSA-N 1 2 345.446 3.998 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264803058 1138643995 /nfs/dbraw/zinc/64/39/95/1138643995.db2.gz CTJUBDWPRAEGQC-QGZVFWFLSA-N 1 2 329.469 3.620 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000133713855 1138652755 /nfs/dbraw/zinc/65/27/55/1138652755.db2.gz DMWPCOWKKGZEBJ-LJQANCHMSA-N 1 2 340.471 3.846 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264905698 1138672590 /nfs/dbraw/zinc/67/25/90/1138672590.db2.gz LXFKVXILMLGPQK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000134849275 1138708523 /nfs/dbraw/zinc/70/85/23/1138708523.db2.gz VHWTXXBQLWIRCN-UHFFFAOYSA-N 1 2 329.419 3.507 20 0 EHADLO CCc1sc(NC(=O)CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000338094757 1138748875 /nfs/dbraw/zinc/74/88/75/1138748875.db2.gz FOYDZXZXOFJDKC-UHFFFAOYSA-N 1 2 326.425 3.598 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338130147 1138760323 /nfs/dbraw/zinc/76/03/23/1138760323.db2.gz YRNRLHOPRMMIMM-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338191485 1138781435 /nfs/dbraw/zinc/78/14/35/1138781435.db2.gz FXNRHKZYIHGOHB-INIZCTEOSA-N 1 2 349.434 3.821 20 0 EHADLO CC1(C)Cc2cc(C[NH2+][C@@H](CO)c3c(F)cccc3F)ccc2O1 ZINC000265254841 1138783827 /nfs/dbraw/zinc/78/38/27/1138783827.db2.gz PMNOJKGNQIAADL-INIZCTEOSA-N 1 2 333.378 3.502 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)s1 ZINC000338231947 1138795676 /nfs/dbraw/zinc/79/56/76/1138795676.db2.gz DJKNBWSFPKVXBH-CQSZACIVSA-N 1 2 331.485 3.631 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000265303828 1138801442 /nfs/dbraw/zinc/80/14/42/1138801442.db2.gz PVKZEKWQJPVIIZ-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1cscn1 ZINC000136706743 1138809983 /nfs/dbraw/zinc/80/99/83/1138809983.db2.gz XPJVSRFKOWNJCI-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1cscn1 ZINC000136706743 1138809987 /nfs/dbraw/zinc/80/99/87/1138809987.db2.gz XPJVSRFKOWNJCI-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000338311783 1138829162 /nfs/dbraw/zinc/82/91/62/1138829162.db2.gz CPZGNJRKMGTOSW-RHSMWYFYSA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000338311783 1138829169 /nfs/dbraw/zinc/82/91/69/1138829169.db2.gz CPZGNJRKMGTOSW-RHSMWYFYSA-N 1 2 331.485 3.631 20 0 EHADLO COCCOc1ccc(CNc2c[nH+]ccc2OC(C)(C)C)cc1 ZINC000338315118 1138830165 /nfs/dbraw/zinc/83/01/65/1138830165.db2.gz LIZQURDQSPRDTF-UHFFFAOYSA-N 1 2 330.428 3.896 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338355024 1138851236 /nfs/dbraw/zinc/85/12/36/1138851236.db2.gz GSDVEYWLXFYAJT-IAGOWNOFSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000338412135 1138901186 /nfs/dbraw/zinc/90/11/86/1138901186.db2.gz OZBXFKPSQPJABV-AWEZNQCLSA-N 1 2 334.847 3.893 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000338412135 1138901191 /nfs/dbraw/zinc/90/11/91/1138901191.db2.gz OZBXFKPSQPJABV-AWEZNQCLSA-N 1 2 334.847 3.893 20 0 EHADLO COc1ccc(OC)c(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)c1 ZINC000265476954 1138916863 /nfs/dbraw/zinc/91/68/63/1138916863.db2.gz NSTNOFVTVFFHQU-GFCCVEGCSA-N 1 2 332.469 3.890 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151180006 1139015580 /nfs/dbraw/zinc/01/55/80/1139015580.db2.gz ZOVSWVRNKOBWTI-CYBMUJFWSA-N 1 2 331.391 3.735 20 0 EHADLO C[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000153762908 1139151165 /nfs/dbraw/zinc/15/11/65/1139151165.db2.gz XBPADLAWSGYSGX-SFHVURJKSA-N 1 2 347.462 3.858 20 0 EHADLO CC(C)CN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889561800 1139234952 /nfs/dbraw/zinc/23/49/52/1139234952.db2.gz YQPZKJNJVCXDOL-WKILWMFISA-N 1 2 330.476 3.635 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccccc2COCc2ccccc2)[nH+]c1C ZINC001137260468 1139303445 /nfs/dbraw/zinc/30/34/45/1139303445.db2.gz GRXUMCTVCFOUBK-UHFFFAOYSA-N 1 2 349.434 3.673 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000826680155 1139312341 /nfs/dbraw/zinc/31/23/41/1139312341.db2.gz DLVOJUUEMDWZJR-OWCLPIDISA-N 1 2 340.389 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000826680155 1139312345 /nfs/dbraw/zinc/31/23/45/1139312345.db2.gz DLVOJUUEMDWZJR-OWCLPIDISA-N 1 2 340.389 3.658 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000890393270 1139352874 /nfs/dbraw/zinc/35/28/74/1139352874.db2.gz HIDTZDRMVFRFMU-SFHVURJKSA-N 1 2 340.471 3.566 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000890393270 1139352878 /nfs/dbraw/zinc/35/28/78/1139352878.db2.gz HIDTZDRMVFRFMU-SFHVURJKSA-N 1 2 340.471 3.566 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnc(C2CC2)o1 ZINC000890458766 1139363480 /nfs/dbraw/zinc/36/34/80/1139363480.db2.gz DWUFHCSZJAYTTI-UHFFFAOYSA-N 1 2 349.390 3.971 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnn(-c3ccccc3)c2)o1 ZINC000174480691 1139423544 /nfs/dbraw/zinc/42/35/44/1139423544.db2.gz VVXNTZHBFTXGHN-GOSISDBHSA-N 1 2 325.412 3.505 20 0 EHADLO Cc1ccc(C)c(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC001202772924 1139482731 /nfs/dbraw/zinc/48/27/31/1139482731.db2.gz JVMAFLYMAFPKKG-UHFFFAOYSA-N 1 2 338.455 3.737 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000177488241 1139622725 /nfs/dbraw/zinc/62/27/25/1139622725.db2.gz VRXYJTDHHICCDI-YRHSSUKESA-N 1 2 327.403 3.535 20 0 EHADLO CCCOc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c(C)c1 ZINC000178184370 1139677634 /nfs/dbraw/zinc/67/76/34/1139677634.db2.gz FZUOSSMMGASZEZ-UHFFFAOYSA-N 1 2 338.411 3.753 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)n2)cc1 ZINC000178713132 1139714591 /nfs/dbraw/zinc/71/45/91/1139714591.db2.gz ZSJKINXTISBZIU-OAHLLOKOSA-N 1 2 339.443 3.509 20 0 EHADLO CCSc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000179187494 1139741184 /nfs/dbraw/zinc/74/11/84/1139741184.db2.gz IMNIXSQLXPRZOQ-OAHLLOKOSA-N 1 2 342.468 3.594 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2scnc2C)c(OC(F)F)c1 ZINC000179426318 1139756204 /nfs/dbraw/zinc/75/62/04/1139756204.db2.gz UNSNHBWSTBICDK-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2scnc2C)c(OC(F)F)c1 ZINC000179426318 1139756209 /nfs/dbraw/zinc/75/62/09/1139756209.db2.gz UNSNHBWSTBICDK-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO O=C1CCCN1C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000179564158 1139765629 /nfs/dbraw/zinc/76/56/29/1139765629.db2.gz FELVXAQPWXFKKW-GOSISDBHSA-N 1 2 346.833 3.932 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000179946304 1139795483 /nfs/dbraw/zinc/79/54/83/1139795483.db2.gz GRJSTUURJHGJPR-FDPIWHGQSA-N 1 2 330.472 3.527 20 0 EHADLO CCc1nnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)o1 ZINC000179996180 1139799766 /nfs/dbraw/zinc/79/97/66/1139799766.db2.gz HJFCSMHMPPXITO-UHFFFAOYSA-N 1 2 325.334 3.820 20 0 EHADLO COc1ccc([C@H]([NH2+]CC(=O)NC(C)C)c2ccccc2Cl)cc1 ZINC000180011736 1139800628 /nfs/dbraw/zinc/80/06/28/1139800628.db2.gz DHTHVMKQHHKORL-IBGZPJMESA-N 1 2 346.858 3.552 20 0 EHADLO CNC(=O)c1ccc(CSCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000180384333 1139830514 /nfs/dbraw/zinc/83/05/14/1139830514.db2.gz VTIQYGXPMNYXRN-UHFFFAOYSA-N 1 2 330.453 3.500 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CC2CC2)c1 ZINC000181335153 1139901129 /nfs/dbraw/zinc/90/11/29/1139901129.db2.gz HQVVEYPXSSKNAR-UHFFFAOYSA-N 1 2 338.455 3.608 20 0 EHADLO Oc1cccc(C[N@H+](Cc2nnc(C3CC3)n2C2CC2)CC2CC2)c1 ZINC000181335153 1139901134 /nfs/dbraw/zinc/90/11/34/1139901134.db2.gz HQVVEYPXSSKNAR-UHFFFAOYSA-N 1 2 338.455 3.608 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000181677127 1139924112 /nfs/dbraw/zinc/92/41/12/1139924112.db2.gz ZXAKLINROGROKQ-LJQANCHMSA-N 1 2 338.407 3.828 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000181718470 1139926300 /nfs/dbraw/zinc/92/63/00/1139926300.db2.gz ORQANZNUOSALBT-KRWDZBQOSA-N 1 2 330.476 3.882 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000181934742 1139941279 /nfs/dbraw/zinc/94/12/79/1139941279.db2.gz BDTHAMJROOMTFW-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000181934742 1139941282 /nfs/dbraw/zinc/94/12/82/1139941282.db2.gz BDTHAMJROOMTFW-NSHDSACASA-N 1 2 336.432 3.879 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc3ccccc3n2C(F)F)cc1 ZINC000181987646 1139943865 /nfs/dbraw/zinc/94/38/65/1139943865.db2.gz VVDBHECGVMHXLF-UHFFFAOYSA-N 1 2 345.393 3.734 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc3ccccc3n2C(F)F)cc1 ZINC000181987646 1139943869 /nfs/dbraw/zinc/94/38/69/1139943869.db2.gz VVDBHECGVMHXLF-UHFFFAOYSA-N 1 2 345.393 3.734 20 0 EHADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182314383 1139964642 /nfs/dbraw/zinc/96/46/42/1139964642.db2.gz INGUEEHIPLOFBB-LSDHHAIUSA-N 1 2 348.454 3.918 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000182348512 1139966600 /nfs/dbraw/zinc/96/66/00/1139966600.db2.gz GUXBXKRWMRRCPY-ZDUSSCGKSA-N 1 2 337.379 3.625 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC000182422826 1139971036 /nfs/dbraw/zinc/97/10/36/1139971036.db2.gz JHMLGZMPVCPHMY-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182644730 1139984039 /nfs/dbraw/zinc/98/40/39/1139984039.db2.gz ZBDDMPIQGAFGRG-HNNXBMFYSA-N 1 2 347.422 3.876 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182843573 1139996982 /nfs/dbraw/zinc/99/69/82/1139996982.db2.gz NQJSTISESPOGSY-NSHDSACASA-N 1 2 330.379 3.504 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182843573 1139996985 /nfs/dbraw/zinc/99/69/85/1139996985.db2.gz NQJSTISESPOGSY-NSHDSACASA-N 1 2 330.379 3.504 20 0 EHADLO C[NH+](C)[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000183293289 1140028608 /nfs/dbraw/zinc/02/86/08/1140028608.db2.gz NUCPJZGLZWKLPL-AZUAARDMSA-N 1 2 339.414 3.796 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2csc(-c3ccccc3F)n2)cnn1C ZINC000183342168 1140030856 /nfs/dbraw/zinc/03/08/56/1140030856.db2.gz FQDBFZBQMDXYLK-LLVKDONJSA-N 1 2 330.432 3.842 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2sc(C)nc2C(F)(F)F)cc1O ZINC000183604784 1140048918 /nfs/dbraw/zinc/04/89/18/1140048918.db2.gz WKRAWKPPMPXCCJ-UHFFFAOYSA-N 1 2 346.374 3.817 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2sc(C)nc2C(F)(F)F)cc1O ZINC000183604784 1140048925 /nfs/dbraw/zinc/04/89/25/1140048925.db2.gz WKRAWKPPMPXCCJ-UHFFFAOYSA-N 1 2 346.374 3.817 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000183981318 1140071370 /nfs/dbraw/zinc/07/13/70/1140071370.db2.gz ABURZHGGFSQWAP-LBPRGKRZSA-N 1 2 345.468 3.506 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777401240 1140075311 /nfs/dbraw/zinc/07/53/11/1140075311.db2.gz MQCRDUJGPABDAT-LJQANCHMSA-N 1 2 340.854 3.785 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cs1 ZINC000184688717 1140115065 /nfs/dbraw/zinc/11/50/65/1140115065.db2.gz IQOBALZONANURU-BFUOFWGJSA-N 1 2 343.496 3.624 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@H](C)c3cccc(F)c3F)on2)cnn1C ZINC000184734581 1140118324 /nfs/dbraw/zinc/11/83/24/1140118324.db2.gz NQCOEMUJCJKCEK-SNVBAGLBSA-N 1 2 332.354 3.513 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccc(C)o1 ZINC000184752709 1140118798 /nfs/dbraw/zinc/11/87/98/1140118798.db2.gz QPWYMQFSOKXWDB-QGZVFWFLSA-N 1 2 341.407 3.789 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)o1 ZINC000184775670 1140119893 /nfs/dbraw/zinc/11/98/93/1140119893.db2.gz HGHADYCFABUENS-MAUKXSAKSA-N 1 2 344.455 3.763 20 0 EHADLO CSCc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184793516 1140120630 /nfs/dbraw/zinc/12/06/30/1140120630.db2.gz ZNSJBNSZKWKHTR-WMLDXEAASA-N 1 2 344.484 3.861 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883765 1140124246 /nfs/dbraw/zinc/12/42/46/1140124246.db2.gz CEWVPCMOQLDUML-NVXWUHKLSA-N 1 2 341.455 3.783 20 0 EHADLO CC(=O)Nc1cccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000185447330 1140150412 /nfs/dbraw/zinc/15/04/12/1140150412.db2.gz LDGGENGFQBLVFO-HNNXBMFYSA-N 1 2 343.496 3.585 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187060145 1140236093 /nfs/dbraw/zinc/23/60/93/1140236093.db2.gz CQCAXDDIJFJYBD-HNNXBMFYSA-N 1 2 347.509 3.570 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187060145 1140236097 /nfs/dbraw/zinc/23/60/97/1140236097.db2.gz CQCAXDDIJFJYBD-HNNXBMFYSA-N 1 2 347.509 3.570 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187060126 1140236345 /nfs/dbraw/zinc/23/63/45/1140236345.db2.gz CQCAXDDIJFJYBD-OAHLLOKOSA-N 1 2 347.509 3.570 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187060126 1140236349 /nfs/dbraw/zinc/23/63/49/1140236349.db2.gz CQCAXDDIJFJYBD-OAHLLOKOSA-N 1 2 347.509 3.570 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)co1 ZINC000187563194 1140261440 /nfs/dbraw/zinc/26/14/40/1140261440.db2.gz RDERSUQEXDKTPI-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)co1 ZINC000187563194 1140261445 /nfs/dbraw/zinc/26/14/45/1140261445.db2.gz RDERSUQEXDKTPI-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)Cc1ccsc1 ZINC000187595891 1140263245 /nfs/dbraw/zinc/26/32/45/1140263245.db2.gz GUIGWDSIQRNWNV-CQSZACIVSA-N 1 2 342.468 3.559 20 0 EHADLO CC(=O)OCCCc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000188530845 1140300288 /nfs/dbraw/zinc/30/02/88/1140300288.db2.gz LICSQTZYAVNQOG-UHFFFAOYSA-N 1 2 337.423 3.751 20 0 EHADLO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000188845254 1140310638 /nfs/dbraw/zinc/31/06/38/1140310638.db2.gz UKNIROFLKMFMCB-UHFFFAOYSA-N 1 2 340.452 3.725 20 0 EHADLO C[C@H](O)C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000189266368 1140331033 /nfs/dbraw/zinc/33/10/33/1140331033.db2.gz BSGSKAFFGBMHEA-JTQLQIEISA-N 1 2 332.669 3.695 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)C(C)C ZINC000189673683 1140358713 /nfs/dbraw/zinc/35/87/13/1140358713.db2.gz GRTWVTPWQIMMOV-WBVHZDCISA-N 1 2 342.491 3.930 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1ccc(F)c(F)c1 ZINC000189737930 1140361444 /nfs/dbraw/zinc/36/14/44/1140361444.db2.gz KYHDLTRYZQHJRV-NEPJUHHUSA-N 1 2 335.402 3.868 20 0 EHADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000190040804 1140382275 /nfs/dbraw/zinc/38/22/75/1140382275.db2.gz BNGZEIPEAWSYAK-GOSISDBHSA-N 1 2 333.334 3.506 20 0 EHADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000190040804 1140382285 /nfs/dbraw/zinc/38/22/85/1140382285.db2.gz BNGZEIPEAWSYAK-GOSISDBHSA-N 1 2 333.334 3.506 20 0 EHADLO COC(=O)c1ccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)o1 ZINC000190612855 1140411949 /nfs/dbraw/zinc/41/19/49/1140411949.db2.gz UNSOSSMOIFOOLD-XJKSGUPXSA-N 1 2 326.396 3.667 20 0 EHADLO COC(=O)c1ccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)o1 ZINC000190612855 1140411952 /nfs/dbraw/zinc/41/19/52/1140411952.db2.gz UNSOSSMOIFOOLD-XJKSGUPXSA-N 1 2 326.396 3.667 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191265190 1140449802 /nfs/dbraw/zinc/44/98/02/1140449802.db2.gz NXVMYQIVWKXHDB-KRWDZBQOSA-N 1 2 330.476 3.919 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CSc2ccccc21 ZINC000192261148 1140516464 /nfs/dbraw/zinc/51/64/64/1140516464.db2.gz KHZCMFLRSZCKDJ-MRXNPFEDSA-N 1 2 343.496 3.574 20 0 EHADLO CC(C)c1cnc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000192388939 1140527788 /nfs/dbraw/zinc/52/77/88/1140527788.db2.gz CXESYBNWVTVYNU-STQMWFEESA-N 1 2 333.461 3.578 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000193488630 1140576985 /nfs/dbraw/zinc/57/69/85/1140576985.db2.gz YVCZTUQNDPUMSG-OAHLLOKOSA-N 1 2 346.475 3.582 20 0 EHADLO COC[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccc(Cl)cc1 ZINC000193679955 1140582359 /nfs/dbraw/zinc/58/23/59/1140582359.db2.gz QAEPEIHNRHZTOL-AWEZNQCLSA-N 1 2 328.243 3.513 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(Cl)cc1 ZINC000193667339 1140582668 /nfs/dbraw/zinc/58/26/68/1140582668.db2.gz LHMBBHHBRZLCGA-QGZVFWFLSA-N 1 2 329.831 3.773 20 0 EHADLO C=Cn1cc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000193800192 1140587561 /nfs/dbraw/zinc/58/75/61/1140587561.db2.gz SZQFNSOYJYJDMA-UHFFFAOYSA-N 1 2 335.455 3.727 20 0 EHADLO C=Cn1cc(C[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000193800192 1140587567 /nfs/dbraw/zinc/58/75/67/1140587567.db2.gz SZQFNSOYJYJDMA-UHFFFAOYSA-N 1 2 335.455 3.727 20 0 EHADLO c1coc(-c2ncc(C[NH+]3CCN(c4cccs4)CC3)s2)c1 ZINC000194415863 1140608984 /nfs/dbraw/zinc/60/89/84/1140608984.db2.gz CUISVYDJGCJITK-UHFFFAOYSA-N 1 2 331.466 3.787 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cccc(Br)c2)cs1 ZINC000266195224 1140654285 /nfs/dbraw/zinc/65/42/85/1140654285.db2.gz JUKHSBJRPVNHCS-SNVBAGLBSA-N 1 2 341.274 3.903 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000266346309 1140671619 /nfs/dbraw/zinc/67/16/19/1140671619.db2.gz ZTCCJAJZFTWONJ-UXLLHSPISA-N 1 2 344.459 3.610 20 0 EHADLO Cc1nc(NCCCCc2nc(-c3cccnc3)cs2)cc[nH+]1 ZINC000266456491 1140689710 /nfs/dbraw/zinc/68/97/10/1140689710.db2.gz XZUTWJNRIJIQFE-UHFFFAOYSA-N 1 2 325.441 3.738 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)cs2)C[C@H]2CCCO2)c1 ZINC000266580121 1140705198 /nfs/dbraw/zinc/70/51/98/1140705198.db2.gz HRSUOOOPJVIALK-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)cs2)C[C@H]2CCCO2)c1 ZINC000266580121 1140705199 /nfs/dbraw/zinc/70/51/99/1140705199.db2.gz HRSUOOOPJVIALK-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@H]1c1cccc(F)c1 ZINC000266925916 1140739802 /nfs/dbraw/zinc/73/98/02/1140739802.db2.gz KAWQUFBPCCRVKD-IFXJQAMLSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@H]1c1cccc(F)c1 ZINC000266925916 1140739806 /nfs/dbraw/zinc/73/98/06/1140739806.db2.gz KAWQUFBPCCRVKD-IFXJQAMLSA-N 1 2 328.435 3.727 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266940165 1140741447 /nfs/dbraw/zinc/74/14/47/1140741447.db2.gz CBMOAQWKJVLNFP-UHFFFAOYSA-N 1 2 342.443 3.918 20 0 EHADLO CC(C)COc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266959268 1140742913 /nfs/dbraw/zinc/74/29/13/1140742913.db2.gz JOMCLKSETFXUCU-UHFFFAOYSA-N 1 2 342.443 3.856 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3ccc(C)cc3)o2)ccc1O ZINC000267351385 1140781540 /nfs/dbraw/zinc/78/15/40/1140781540.db2.gz FXAXIZOJPDJZOH-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3ccc(C)cc3)o2)ccc1O ZINC000267351385 1140781543 /nfs/dbraw/zinc/78/15/43/1140781543.db2.gz FXAXIZOJPDJZOH-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO CCn1nc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1C1CC1 ZINC000267360326 1140782318 /nfs/dbraw/zinc/78/23/18/1140782318.db2.gz CIIRITIRAMOVII-BJMVGYQFSA-N 1 2 347.422 3.618 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(Br)c2)cs1 ZINC000267630825 1140813368 /nfs/dbraw/zinc/81/33/68/1140813368.db2.gz NQGSOUOKEGOXRO-JTQLQIEISA-N 1 2 341.274 3.903 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(Br)cs2)cs1 ZINC000267642797 1140814520 /nfs/dbraw/zinc/81/45/20/1140814520.db2.gz RHOXDADHDIKMHM-QMMMGPOBSA-N 1 2 347.303 3.964 20 0 EHADLO CC(C)(CC1CCC1)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274365139 1140817285 /nfs/dbraw/zinc/81/72/85/1140817285.db2.gz NIDIYFMMXFMPAZ-UHFFFAOYSA-N 1 2 346.437 3.832 20 0 EHADLO CC(C)(CC1CCC1)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274365139 1140817296 /nfs/dbraw/zinc/81/72/96/1140817296.db2.gz NIDIYFMMXFMPAZ-UHFFFAOYSA-N 1 2 346.437 3.832 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](CC)Cc1ccncc1 ZINC000267916208 1140849711 /nfs/dbraw/zinc/84/97/11/1140849711.db2.gz PHSLKKQBSHIXQG-LJQANCHMSA-N 1 2 325.456 3.513 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccncc1 ZINC000267916208 1140849716 /nfs/dbraw/zinc/84/97/16/1140849716.db2.gz PHSLKKQBSHIXQG-LJQANCHMSA-N 1 2 325.456 3.513 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000267992901 1140861734 /nfs/dbraw/zinc/86/17/34/1140861734.db2.gz YRDGQYPISQXYQP-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000267992901 1140861746 /nfs/dbraw/zinc/86/17/46/1140861746.db2.gz YRDGQYPISQXYQP-RDJZCZTQSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268173736 1140897694 /nfs/dbraw/zinc/89/76/94/1140897694.db2.gz TWJYRYZIWLQVIN-HNNXBMFYSA-N 1 2 344.484 3.529 20 0 EHADLO CSc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(Cl)cc1Cl ZINC000268364950 1140926871 /nfs/dbraw/zinc/92/68/71/1140926871.db2.gz QVTQUFVYISHPCD-SECBINFHSA-N 1 2 344.267 3.730 20 0 EHADLO CCOc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000268446865 1140939806 /nfs/dbraw/zinc/93/98/06/1140939806.db2.gz ZGEDEBSQMWOQOO-WMLDXEAASA-N 1 2 342.443 3.705 20 0 EHADLO CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCc2ccccc21 ZINC000268583637 1140958850 /nfs/dbraw/zinc/95/88/50/1140958850.db2.gz QWOHWMZGLJJCAF-IBGZPJMESA-N 1 2 348.450 3.943 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1occc1C(=O)OC)CCC2 ZINC000268624435 1140963546 /nfs/dbraw/zinc/96/35/46/1140963546.db2.gz ACUXHPMVLXWTNV-CYBMUJFWSA-N 1 2 334.441 3.595 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1occc1C(=O)OC)CCC2 ZINC000268624435 1140963551 /nfs/dbraw/zinc/96/35/51/1140963551.db2.gz ACUXHPMVLXWTNV-CYBMUJFWSA-N 1 2 334.441 3.595 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000268799940 1140994670 /nfs/dbraw/zinc/99/46/70/1140994670.db2.gz FYPGJOZBJFEQJJ-KRWDZBQOSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1cc(F)ccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269373052 1141100437 /nfs/dbraw/zinc/10/04/37/1141100437.db2.gz MRHVZHNRFZAJEC-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[S@](=O)Cc1c[nH+]cn1C ZINC000269709827 1141137650 /nfs/dbraw/zinc/13/76/50/1141137650.db2.gz PMDKLGQRLJAUTA-QVQLBTGDSA-N 1 2 349.843 3.738 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(Cc3cccs3)o2)c1 ZINC000270081964 1141177133 /nfs/dbraw/zinc/17/71/33/1141177133.db2.gz ALWLENNLNLODIJ-UHFFFAOYSA-N 1 2 333.438 3.726 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270149705 1141185153 /nfs/dbraw/zinc/18/51/53/1141185153.db2.gz VFOVJZFTJUYVGY-TZMCWYRMSA-N 1 2 349.504 3.563 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4occc43)nn2)c(Cl)c1 ZINC000270236725 1141195695 /nfs/dbraw/zinc/19/56/95/1141195695.db2.gz PDVGSUZQBRRMHB-OAHLLOKOSA-N 1 2 346.793 3.820 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cscn1 ZINC000271064178 1141303026 /nfs/dbraw/zinc/30/30/26/1141303026.db2.gz CSVXEPFDXWBPAG-WCQYABFASA-N 1 2 335.860 3.643 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000271191160 1141322238 /nfs/dbraw/zinc/32/22/38/1141322238.db2.gz PWQKBAWGZPTWIA-INIZCTEOSA-N 1 2 349.887 3.580 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000271191160 1141322245 /nfs/dbraw/zinc/32/22/45/1141322245.db2.gz PWQKBAWGZPTWIA-INIZCTEOSA-N 1 2 349.887 3.580 20 0 EHADLO c1ccc(OC[C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000271674055 1141416350 /nfs/dbraw/zinc/41/63/50/1141416350.db2.gz HAUGEROLIDHYCD-IBGZPJMESA-N 1 2 348.450 3.524 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000271681624 1141417720 /nfs/dbraw/zinc/41/77/20/1141417720.db2.gz ILOKGYLVTABBMA-CYBMUJFWSA-N 1 2 330.457 3.852 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(CCC4CC4)no3)CC2)cs1 ZINC000274034020 1141466279 /nfs/dbraw/zinc/46/62/79/1141466279.db2.gz OMNFAQMMXIWZSH-UHFFFAOYSA-N 1 2 332.473 3.557 20 0 EHADLO c1cn(Cc2cccc(-c3nc([C@@H]4CCCCS4)no3)c2)c[nH+]1 ZINC000274107999 1141475367 /nfs/dbraw/zinc/47/53/67/1141475367.db2.gz UBNKJXGEHNEIRF-HNNXBMFYSA-N 1 2 326.425 3.940 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000274153506 1141480053 /nfs/dbraw/zinc/48/00/53/1141480053.db2.gz FOMLEALDMXLXGD-WDEREUQCSA-N 1 2 345.472 3.542 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nn1-c1ccccc1 ZINC000339137798 1141507166 /nfs/dbraw/zinc/50/71/66/1141507166.db2.gz WCZJDCZBUOWNAC-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431790 1141527382 /nfs/dbraw/zinc/52/73/82/1141527382.db2.gz GZPRCNWYCKNNIZ-GDBMZVCRSA-N 1 2 340.475 3.583 20 0 EHADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431790 1141527383 /nfs/dbraw/zinc/52/73/83/1141527383.db2.gz GZPRCNWYCKNNIZ-GDBMZVCRSA-N 1 2 340.475 3.583 20 0 EHADLO Cc1cc(Br)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274440436 1141529230 /nfs/dbraw/zinc/52/92/30/1141529230.db2.gz JMWDKTIINHUKBV-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO CCC1(CC)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCS1 ZINC000274478308 1141540438 /nfs/dbraw/zinc/54/04/38/1141540438.db2.gz ZSWYUQXEKKCQSJ-UHFFFAOYSA-N 1 2 343.496 3.679 20 0 EHADLO CCN(c1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cn1)C(C)C ZINC000339261868 1141543061 /nfs/dbraw/zinc/54/30/61/1141543061.db2.gz DEJZPIPZXJKROC-UHFFFAOYSA-N 1 2 337.427 3.525 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1c(C)nn(-c2ccccn2)c1C ZINC000283306325 1141593376 /nfs/dbraw/zinc/59/33/76/1141593376.db2.gz HXCJJWZLSCARFH-UHFFFAOYSA-N 1 2 346.438 3.866 20 0 EHADLO C[N@@H+](Cc1nc2ccc(F)cc2s1)C[C@H]1COc2ccccc2O1 ZINC000349062005 1141631650 /nfs/dbraw/zinc/63/16/50/1141631650.db2.gz KLTKBGFKGAMPOI-ZDUSSCGKSA-N 1 2 344.411 3.707 20 0 EHADLO C[N@H+](Cc1nc2ccc(F)cc2s1)C[C@H]1COc2ccccc2O1 ZINC000349062005 1141631654 /nfs/dbraw/zinc/63/16/54/1141631654.db2.gz KLTKBGFKGAMPOI-ZDUSSCGKSA-N 1 2 344.411 3.707 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)c(F)c3)cn2c1 ZINC000055254738 214296617 /nfs/dbraw/zinc/29/66/17/214296617.db2.gz WOPSEXMGRHIBLN-UHFFFAOYSA-N 1 2 347.390 3.793 20 0 EHADLO COc1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)cc1F ZINC000073638077 216404860 /nfs/dbraw/zinc/40/48/60/216404860.db2.gz DPOSUJHKVLBTTL-UHFFFAOYSA-N 1 2 338.342 3.546 20 0 EHADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000097437933 219024922 /nfs/dbraw/zinc/02/49/22/219024922.db2.gz OTLNZPOWCFJXPD-KRWDZBQOSA-N 1 2 339.826 3.894 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2Br)o1 ZINC000034994125 522035519 /nfs/dbraw/zinc/03/55/19/522035519.db2.gz DYLBYDYDKLVVHT-JTQLQIEISA-N 1 2 338.201 3.680 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(C(C)C)CC1 ZINC000822332721 599058603 /nfs/dbraw/zinc/05/86/03/599058603.db2.gz RRWPLRJKMHXXJR-UHFFFAOYSA-N 1 2 336.443 3.596 20 0 EHADLO c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000823791606 599405146 /nfs/dbraw/zinc/40/51/46/599405146.db2.gz FYQXVIBLXFMVIB-UHFFFAOYSA-N 1 2 347.378 3.542 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@@H](CCCO)c3ccccc3)n2)cc1 ZINC000305781151 1125464778 /nfs/dbraw/zinc/46/47/78/1125464778.db2.gz UICRJBYGZDZVQZ-SFHVURJKSA-N 1 2 337.423 3.648 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000536659773 1032073403 /nfs/dbraw/zinc/07/34/03/1032073403.db2.gz WQJJVDZWRMNVEW-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000536659773 1032073420 /nfs/dbraw/zinc/07/34/20/1032073420.db2.gz WQJJVDZWRMNVEW-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000654699683 1014130522 /nfs/dbraw/zinc/13/05/22/1014130522.db2.gz LUXQBCIHEVYART-KRWDZBQOSA-N 1 2 339.483 3.997 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000654699683 1014130530 /nfs/dbraw/zinc/13/05/30/1014130530.db2.gz LUXQBCIHEVYART-KRWDZBQOSA-N 1 2 339.483 3.997 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(F)c(Br)c1 ZINC000393324242 1029060818 /nfs/dbraw/zinc/06/08/18/1029060818.db2.gz ULTAPFFSRBZRDC-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO OC[C@@]1(F)CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000349022771 1014306098 /nfs/dbraw/zinc/30/60/98/1014306098.db2.gz DPZDQEMJPHRTTM-QGZVFWFLSA-N 1 2 325.330 3.521 20 0 EHADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000349022771 1014306110 /nfs/dbraw/zinc/30/61/10/1014306110.db2.gz DPZDQEMJPHRTTM-QGZVFWFLSA-N 1 2 325.330 3.521 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(F)ccc2Br)sc1C ZINC000094965541 1030749027 /nfs/dbraw/zinc/74/90/27/1030749027.db2.gz OZJAHRUYVDNBQU-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3CCC=CCC3)n2)c1 ZINC000904498459 1032093531 /nfs/dbraw/zinc/09/35/31/1032093531.db2.gz ODKGMFMDNPFRPL-UHFFFAOYSA-N 1 2 339.439 3.783 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2csc(C3CCCC3)n2)cc1 ZINC000063887330 1014509490 /nfs/dbraw/zinc/50/94/90/1014509490.db2.gz STBYYZROIWTZAG-UHFFFAOYSA-N 1 2 331.441 3.646 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1nc(C(F)(F)F)cs1 ZINC000274680551 1014535390 /nfs/dbraw/zinc/53/53/90/1014535390.db2.gz ZSDKAOCHHSDNKD-WPRPVWTQSA-N 1 2 330.379 3.624 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000339475369 1014548175 /nfs/dbraw/zinc/54/81/75/1014548175.db2.gz GLZXDHVIVZTEMH-GOSISDBHSA-N 1 2 339.483 3.785 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn(C)c2C2CCC2)c1C ZINC000339490966 1014579116 /nfs/dbraw/zinc/57/91/16/1014579116.db2.gz FTWNSTKNOMSYMX-UHFFFAOYSA-N 1 2 341.455 3.585 20 0 EHADLO Cc1ccc2cc([C@@H](C)Nc3ccc(N(C)CCO)c[nH+]3)oc2c1 ZINC000683159412 1014620135 /nfs/dbraw/zinc/62/01/35/1014620135.db2.gz AUKAJWROXCDXQC-CQSZACIVSA-N 1 2 325.412 3.738 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000654928577 1014616024 /nfs/dbraw/zinc/61/60/24/1014616024.db2.gz BMLMFSCIEDBBHQ-GFCCVEGCSA-N 1 2 331.391 3.688 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000654928577 1014616030 /nfs/dbraw/zinc/61/60/30/1014616030.db2.gz BMLMFSCIEDBBHQ-GFCCVEGCSA-N 1 2 331.391 3.688 20 0 EHADLO CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1(C(=O)[O-])CCC1 ZINC001595286518 980362944 /nfs/dbraw/zinc/36/29/44/980362944.db2.gz GEUPKAPXEHVNTG-DOTOQJQBSA-N 1 2 332.488 3.739 20 0 EHADLO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000547648450 1014661664 /nfs/dbraw/zinc/66/16/64/1014661664.db2.gz WQLDYQGZLPIACT-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO COc1cccc(CCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000547648450 1014661672 /nfs/dbraw/zinc/66/16/72/1014661672.db2.gz WQLDYQGZLPIACT-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182474727 1032101314 /nfs/dbraw/zinc/10/13/14/1032101314.db2.gz SHOVZYWRAHJCHO-UMEYKSNOSA-N 1 2 337.467 3.613 20 0 EHADLO CCC1([NH+]2CCCCC2)CC[NH+](Cc2cc(C(=O)[O-])oc2C)CC1 ZINC001595388163 980943956 /nfs/dbraw/zinc/94/39/56/980943956.db2.gz ZHKCTZILWHUOGF-UHFFFAOYSA-N 1 2 334.460 3.517 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccsc3)cn2c1 ZINC000043507729 1014996726 /nfs/dbraw/zinc/99/67/26/1014996726.db2.gz DMFIPCFXBHBFIS-UHFFFAOYSA-N 1 2 345.493 3.596 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@H](C)[C@@H]3C)cs2)c1 ZINC000339566298 1015020370 /nfs/dbraw/zinc/02/03/70/1015020370.db2.gz HNGHHNWVKOBXIC-GJZGRUSLSA-N 1 2 343.496 3.781 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C)[C@@H]3C)cs2)c1 ZINC000339566298 1015020375 /nfs/dbraw/zinc/02/03/75/1015020375.db2.gz HNGHHNWVKOBXIC-GJZGRUSLSA-N 1 2 343.496 3.781 20 0 EHADLO CC(C)([NH2+]Cc1cnc(C2CC2)nc1)c1nc(C(F)(F)F)cs1 ZINC000459426123 1032110178 /nfs/dbraw/zinc/11/01/78/1032110178.db2.gz NHGHAEKSKGKSGL-UHFFFAOYSA-N 1 2 342.390 3.854 20 0 EHADLO CCN(Cc1ccccc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000339594294 1015122225 /nfs/dbraw/zinc/12/22/25/1015122225.db2.gz PJULEWBWOAHJHW-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000430233908 1015160792 /nfs/dbraw/zinc/16/07/92/1015160792.db2.gz SKGJJKFBWZRBIY-UHFFFAOYSA-N 1 2 349.356 3.847 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000430233908 1015160802 /nfs/dbraw/zinc/16/08/02/1015160802.db2.gz SKGJJKFBWZRBIY-UHFFFAOYSA-N 1 2 349.356 3.847 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000117484593 1015183466 /nfs/dbraw/zinc/18/34/66/1015183466.db2.gz LVDXLKHKGCBOIB-QGZVFWFLSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1ccncc1C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430247986 1015267177 /nfs/dbraw/zinc/26/71/77/1015267177.db2.gz DUMMWWUTBXOUSJ-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1ccncc1C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430247986 1015267188 /nfs/dbraw/zinc/26/71/88/1015267188.db2.gz DUMMWWUTBXOUSJ-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO OCC[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1 ZINC000064845266 1015269912 /nfs/dbraw/zinc/26/99/12/1015269912.db2.gz IUFJRSBYDRLFSJ-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1 ZINC000064845266 1015269916 /nfs/dbraw/zinc/26/99/16/1015269916.db2.gz IUFJRSBYDRLFSJ-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+]3CCC[C@H](C)CC3)c(=S)o2)cc1 ZINC000748083480 1015360683 /nfs/dbraw/zinc/36/06/83/1015360683.db2.gz OMMNWRFRZDIXCO-AWEZNQCLSA-N 1 2 347.484 3.884 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+]3CCC[C@H](C)CC3)c(=S)o2)cc1 ZINC000748083480 1015360686 /nfs/dbraw/zinc/36/06/86/1015360686.db2.gz OMMNWRFRZDIXCO-AWEZNQCLSA-N 1 2 347.484 3.884 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000655361078 1015410031 /nfs/dbraw/zinc/41/00/31/1015410031.db2.gz AMEQJNZENOXMSD-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO COc1ccc(Br)cc1CNc1ccc(N(C)C)[nH+]c1 ZINC000036988940 1015527888 /nfs/dbraw/zinc/52/78/88/1015527888.db2.gz KXOHBNZSNNUQGL-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(Cl)cn1 ZINC000274921057 1015653020 /nfs/dbraw/zinc/65/30/20/1015653020.db2.gz PDQXOEZNKOLEOZ-JTQLQIEISA-N 1 2 345.752 3.922 20 0 EHADLO Cc1cc(N2CCN(c3ccc(F)cc3Cl)CC2)nc(C2CC2)[nH+]1 ZINC000339782589 1015669286 /nfs/dbraw/zinc/66/92/86/1015669286.db2.gz GKTJUDQTZCXAIV-UHFFFAOYSA-N 1 2 346.837 3.782 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CCOC[C@H]3CC3CCC3)sc2c1 ZINC000339778015 1015673776 /nfs/dbraw/zinc/67/37/76/1015673776.db2.gz VRBCGVHTZSQETQ-CQSZACIVSA-N 1 2 332.469 3.696 20 0 EHADLO COc1ccc2nc(C[N@H+]3CCOC[C@H]3CC3CCC3)sc2c1 ZINC000339778015 1015673781 /nfs/dbraw/zinc/67/37/81/1015673781.db2.gz VRBCGVHTZSQETQ-CQSZACIVSA-N 1 2 332.469 3.696 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000339795612 1015678585 /nfs/dbraw/zinc/67/85/85/1015678585.db2.gz HFVLZEOFIQLIMJ-OAHLLOKOSA-N 1 2 348.288 3.780 20 0 EHADLO Cn1ccnc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000339795612 1015678587 /nfs/dbraw/zinc/67/85/87/1015678587.db2.gz HFVLZEOFIQLIMJ-OAHLLOKOSA-N 1 2 348.288 3.780 20 0 EHADLO Cc1cn2cc(NC(=O)C3(Oc4ccc(Cl)cc4)CC3)ccc2[nH+]1 ZINC000339825312 1015705015 /nfs/dbraw/zinc/70/50/15/1015705015.db2.gz ZBDFSLFYNXABFD-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000339831152 1015714305 /nfs/dbraw/zinc/71/43/05/1015714305.db2.gz MBDSYPJNCYJMFL-OAQYLSRUSA-N 1 2 333.435 3.505 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000339831152 1015714312 /nfs/dbraw/zinc/71/43/12/1015714312.db2.gz MBDSYPJNCYJMFL-OAQYLSRUSA-N 1 2 333.435 3.505 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@H]2C=CCCC2)c1)[NH+]1CCOCC1 ZINC000275000806 1015733447 /nfs/dbraw/zinc/73/34/47/1015733447.db2.gz KJFLGKUIUBRDKF-SJORKVTESA-N 1 2 328.456 3.765 20 0 EHADLO O=C(CCC1CCCCC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000060059466 1015792531 /nfs/dbraw/zinc/79/25/31/1015792531.db2.gz ZBJANOAQPXPVJP-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO Cc1cc(C)n(CC[N@@H+](C)Cc2ccc(F)cc2Br)n1 ZINC000362218599 1015821372 /nfs/dbraw/zinc/82/13/72/1015821372.db2.gz MGFIZKCETDDOAB-UHFFFAOYSA-N 1 2 340.240 3.534 20 0 EHADLO Cc1cc(C)n(CC[N@H+](C)Cc2ccc(F)cc2Br)n1 ZINC000362218599 1015821381 /nfs/dbraw/zinc/82/13/81/1015821381.db2.gz MGFIZKCETDDOAB-UHFFFAOYSA-N 1 2 340.240 3.534 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000547751954 1015832129 /nfs/dbraw/zinc/83/21/29/1015832129.db2.gz YWGAOSNEABSSGZ-FUHWJXTLSA-N 1 2 339.439 3.592 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccn2)cc1 ZINC000459444060 1032129464 /nfs/dbraw/zinc/12/94/64/1032129464.db2.gz QROVEOVFNZRAMC-FQEVSTJZSA-N 1 2 346.434 3.642 20 0 EHADLO Cc1noc(C)c1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339932379 1015984175 /nfs/dbraw/zinc/98/41/75/1015984175.db2.gz LWHDHDBBFRZWFP-UHFFFAOYSA-N 1 2 349.394 3.851 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(F)c1 ZINC000547766087 1016028556 /nfs/dbraw/zinc/02/85/56/1016028556.db2.gz PNCLEKNRZHXIQU-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(F)c1 ZINC000547766087 1016028566 /nfs/dbraw/zinc/02/85/66/1016028566.db2.gz PNCLEKNRZHXIQU-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000045859929 1016082018 /nfs/dbraw/zinc/08/20/18/1016082018.db2.gz CQFIQYAKQNQEHV-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461554 1016082363 /nfs/dbraw/zinc/08/23/63/1016082363.db2.gz JAFLUWLELNWEAG-LBPRGKRZSA-N 1 2 325.437 3.588 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461554 1016082376 /nfs/dbraw/zinc/08/23/76/1016082376.db2.gz JAFLUWLELNWEAG-LBPRGKRZSA-N 1 2 325.437 3.588 20 0 EHADLO CC1(C)CN(C(=O)c2sccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000339985267 1016096029 /nfs/dbraw/zinc/09/60/29/1016096029.db2.gz CDRRIPPQGLCTGB-UHFFFAOYSA-N 1 2 332.444 3.624 20 0 EHADLO CC1(C)CN(C(=O)c2sccc2F)CC[N@H+]1Cc1ccccc1 ZINC000339985267 1016096042 /nfs/dbraw/zinc/09/60/42/1016096042.db2.gz CDRRIPPQGLCTGB-UHFFFAOYSA-N 1 2 332.444 3.624 20 0 EHADLO CC(C)C1(C)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000275188885 1016123557 /nfs/dbraw/zinc/12/35/57/1016123557.db2.gz ABUKOLPLGMLWHB-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(Br)c1 ZINC000037844407 1016207803 /nfs/dbraw/zinc/20/78/03/1016207803.db2.gz USGUPEVMJKPFHX-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000155148970 1016223563 /nfs/dbraw/zinc/22/35/63/1016223563.db2.gz FLYCVRXIZIVPPQ-UHFFFAOYSA-N 1 2 331.485 3.766 20 0 EHADLO C[C@H](CN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000340081651 1016224486 /nfs/dbraw/zinc/22/44/86/1016224486.db2.gz AITUISVCVZGIFM-QGZVFWFLSA-N 1 2 333.435 3.807 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3)n2)C1 ZINC000340103672 1016321948 /nfs/dbraw/zinc/32/19/48/1016321948.db2.gz BKHMHKOMNVVOSC-AWEZNQCLSA-N 1 2 329.469 3.556 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3)n2)C1 ZINC000340103672 1016321957 /nfs/dbraw/zinc/32/19/57/1016321957.db2.gz BKHMHKOMNVVOSC-AWEZNQCLSA-N 1 2 329.469 3.556 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388152 1016346867 /nfs/dbraw/zinc/34/68/67/1016346867.db2.gz KNSHNVQIJZHLQI-KRWDZBQOSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001203388152 1016346876 /nfs/dbraw/zinc/34/68/76/1016346876.db2.gz KNSHNVQIJZHLQI-KRWDZBQOSA-N 1 2 342.842 3.779 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376567479 1016507318 /nfs/dbraw/zinc/50/73/18/1016507318.db2.gz WOEPFLSTNMPDDW-INIZCTEOSA-N 1 2 341.455 3.533 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000579891926 1016509839 /nfs/dbraw/zinc/50/98/39/1016509839.db2.gz NBTRVNBGFPPWCP-UXHICEINSA-N 1 2 348.450 3.742 20 0 EHADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000579891926 1016509849 /nfs/dbraw/zinc/50/98/49/1016509849.db2.gz NBTRVNBGFPPWCP-UXHICEINSA-N 1 2 348.450 3.742 20 0 EHADLO OC[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000182914091 1032148966 /nfs/dbraw/zinc/14/89/66/1032148966.db2.gz SJZVDEABRDQFDX-AWEZNQCLSA-N 1 2 336.313 3.670 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccccc2Cl)c2nnc[nH]2)cc1 ZINC000340210917 1016707033 /nfs/dbraw/zinc/70/70/33/1016707033.db2.gz XKCOYVXOKZBONO-MRXNPFEDSA-N 1 2 330.794 3.519 20 0 EHADLO Fc1ccccc1CCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000326782388 1016750813 /nfs/dbraw/zinc/75/08/13/1016750813.db2.gz UTIAHOAOSPUTTD-UHFFFAOYSA-N 1 2 333.370 3.609 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1N ZINC001140895054 1016775375 /nfs/dbraw/zinc/77/53/75/1016775375.db2.gz VSABJXQTKMBUBP-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1N ZINC001140895054 1016775388 /nfs/dbraw/zinc/77/53/88/1016775388.db2.gz VSABJXQTKMBUBP-UHFFFAOYSA-N 1 2 347.256 3.598 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC1CCCCCC1 ZINC001126992431 1032150381 /nfs/dbraw/zinc/15/03/81/1032150381.db2.gz MOJPIOVAMSHCLX-UHFFFAOYSA-N 1 2 345.487 3.916 20 0 EHADLO O=C(c1cc2cc(F)ccc2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000120399591 1016803252 /nfs/dbraw/zinc/80/32/52/1016803252.db2.gz GVQBOVXTOLYPDU-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340263694 1016816970 /nfs/dbraw/zinc/81/69/70/1016816970.db2.gz KGNSSLDJSRZZME-XHSDSOJGSA-N 1 2 334.464 3.687 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000892695169 1016830238 /nfs/dbraw/zinc/83/02/38/1016830238.db2.gz HOKVDMZYXONDOT-HOCLYGCPSA-N 1 2 335.448 3.811 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955259 1016849849 /nfs/dbraw/zinc/84/98/49/1016849849.db2.gz PMMMSWIQOLZRRM-VQIMIIECSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000782955259 1016849867 /nfs/dbraw/zinc/84/98/67/1016849867.db2.gz PMMMSWIQOLZRRM-VQIMIIECSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1cc(N2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000589875422 1016902514 /nfs/dbraw/zinc/90/25/14/1016902514.db2.gz QWZWMBHDKRSODY-INIZCTEOSA-N 1 2 346.519 3.629 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCCCC1CCCCC1)CC2 ZINC001167273276 1016915211 /nfs/dbraw/zinc/91/52/11/1016915211.db2.gz AKUBWJVYGXYMAK-UHFFFAOYSA-N 1 2 344.499 3.530 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)NCCCC1CCCCC1)CC2 ZINC001167273276 1016915223 /nfs/dbraw/zinc/91/52/23/1016915223.db2.gz AKUBWJVYGXYMAK-UHFFFAOYSA-N 1 2 344.499 3.530 20 0 EHADLO CCC[C@@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376648750 1016951135 /nfs/dbraw/zinc/95/11/35/1016951135.db2.gz LSZUUROAOFDHMC-HZPDHXFCSA-N 1 2 332.492 3.687 20 0 EHADLO O=C(Nc1cc(F)ccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000340332329 1016965782 /nfs/dbraw/zinc/96/57/82/1016965782.db2.gz PUURACBCCDVMQB-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cc(F)ccc1O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000340332329 1016965793 /nfs/dbraw/zinc/96/57/93/1016965793.db2.gz PUURACBCCDVMQB-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376693661 1016965983 /nfs/dbraw/zinc/96/59/83/1016965983.db2.gz IBFDZXPLMMXGJW-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000538148070 1032186988 /nfs/dbraw/zinc/18/69/88/1032186988.db2.gz UWDONFWUQZNKPW-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000538148070 1032186994 /nfs/dbraw/zinc/18/69/94/1032186994.db2.gz UWDONFWUQZNKPW-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3nsc(N(C)C)n3)C2)cc1 ZINC000460978333 1032188349 /nfs/dbraw/zinc/18/83/49/1032188349.db2.gz JMJBNQNLPGMICD-INIZCTEOSA-N 1 2 344.528 3.792 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3nsc(N(C)C)n3)C2)cc1 ZINC000460978333 1032188358 /nfs/dbraw/zinc/18/83/58/1032188358.db2.gz JMJBNQNLPGMICD-INIZCTEOSA-N 1 2 344.528 3.792 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080923832 1032206537 /nfs/dbraw/zinc/20/65/37/1032206537.db2.gz VEOJCFHLYYAAGX-GOSISDBHSA-N 1 2 346.496 3.789 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080923832 1032206557 /nfs/dbraw/zinc/20/65/57/1032206557.db2.gz VEOJCFHLYYAAGX-GOSISDBHSA-N 1 2 346.496 3.789 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cn21 ZINC000449127113 1032220233 /nfs/dbraw/zinc/22/02/33/1032220233.db2.gz WFHXVALPTFHJRJ-AWEZNQCLSA-N 1 2 331.341 3.837 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528401442 1032229960 /nfs/dbraw/zinc/22/99/60/1032229960.db2.gz BXSYMGYQHMLBTD-QGZVFWFLSA-N 1 2 347.821 3.502 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528401442 1032229975 /nfs/dbraw/zinc/22/99/75/1032229975.db2.gz BXSYMGYQHMLBTD-QGZVFWFLSA-N 1 2 347.821 3.502 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)C[C@]2(CCOC2)O1 ZINC000459523667 1032242632 /nfs/dbraw/zinc/24/26/32/1032242632.db2.gz JIICNRURTXWDJB-GUYCJALGSA-N 1 2 327.827 3.557 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)C[C@]2(CCOC2)O1 ZINC000459523667 1032242642 /nfs/dbraw/zinc/24/26/42/1032242642.db2.gz JIICNRURTXWDJB-GUYCJALGSA-N 1 2 327.827 3.557 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000536753635 1032247831 /nfs/dbraw/zinc/24/78/31/1032247831.db2.gz HSNMPAKPEDAGNS-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(Cl)c1 ZINC000459528559 1032246589 /nfs/dbraw/zinc/24/65/89/1032246589.db2.gz NTNLGEUXCGXJMP-KRWDZBQOSA-N 1 2 327.827 3.557 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(Cl)c1 ZINC000459528559 1032246596 /nfs/dbraw/zinc/24/65/96/1032246596.db2.gz NTNLGEUXCGXJMP-KRWDZBQOSA-N 1 2 327.827 3.557 20 0 EHADLO COc1ccc([C@@H](OC)[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000536767669 1032259911 /nfs/dbraw/zinc/25/99/11/1032259911.db2.gz LZAKJZACEKBRKW-KSSFIOAISA-N 1 2 329.444 3.527 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@@H]1SC ZINC000459554146 1032272510 /nfs/dbraw/zinc/27/25/10/1032272510.db2.gz CVYQPHGJPXYVSG-KURKYZTESA-N 1 2 331.485 3.810 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc(Cl)c1O ZINC000459567669 1032292789 /nfs/dbraw/zinc/29/27/89/1032292789.db2.gz VGTITQBIKACCMP-PBHICJAKSA-N 1 2 339.863 3.834 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc(Cl)c1O ZINC000459567669 1032292794 /nfs/dbraw/zinc/29/27/94/1032292794.db2.gz VGTITQBIKACCMP-PBHICJAKSA-N 1 2 339.863 3.834 20 0 EHADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459580232 1032304431 /nfs/dbraw/zinc/30/44/31/1032304431.db2.gz ONNWZBCWGMCUEZ-INIZCTEOSA-N 1 2 340.389 3.624 20 0 EHADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459580232 1032304437 /nfs/dbraw/zinc/30/44/37/1032304437.db2.gz ONNWZBCWGMCUEZ-INIZCTEOSA-N 1 2 340.389 3.624 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184784633 1032335348 /nfs/dbraw/zinc/33/53/48/1032335348.db2.gz HAKSNDADDGXKAR-UHFFFAOYSA-N 1 2 337.423 3.678 20 0 EHADLO CSc1cccc(C)c1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185030934 1032340992 /nfs/dbraw/zinc/34/09/92/1032340992.db2.gz NOKBTPRPEYGPJL-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)oc1C ZINC000459627431 1032343550 /nfs/dbraw/zinc/34/35/50/1032343550.db2.gz BOPFNBBDMFAFLN-NXEZZACHSA-N 1 2 334.441 3.732 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)NCCCNc1cccc[nH+]1 ZINC000118725202 1032363836 /nfs/dbraw/zinc/36/38/36/1032363836.db2.gz AFRFJBVMDHZSHL-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1ccon1 ZINC000449237138 1032370703 /nfs/dbraw/zinc/37/07/03/1032370703.db2.gz MUFYMNQRWVBIKG-AMIZOPFISA-N 1 2 325.181 3.914 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784012587 1032376573 /nfs/dbraw/zinc/37/65/73/1032376573.db2.gz SJWFXGRDEAKZQP-HNNXBMFYSA-N 1 2 344.484 3.657 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784012587 1032376584 /nfs/dbraw/zinc/37/65/84/1032376584.db2.gz SJWFXGRDEAKZQP-HNNXBMFYSA-N 1 2 344.484 3.657 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000929113121 1032418671 /nfs/dbraw/zinc/41/86/71/1032418671.db2.gz XYQRXJQFSSTCGS-LLVKDONJSA-N 1 2 327.350 3.641 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000929113121 1032418679 /nfs/dbraw/zinc/41/86/79/1032418679.db2.gz XYQRXJQFSSTCGS-LLVKDONJSA-N 1 2 327.350 3.641 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000449304639 1032422685 /nfs/dbraw/zinc/42/26/85/1032422685.db2.gz ZSVFFDFZLQKITH-HNNXBMFYSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CC(C)(C)[C@H]3c3ccncc3)cn2)cc1 ZINC000449340873 1032457176 /nfs/dbraw/zinc/45/71/76/1032457176.db2.gz QSMAHFTTYBDJJC-HXUWFJFHSA-N 1 2 348.450 3.859 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CC(C)(C)[C@H]3c3ccncc3)cn2)cc1 ZINC000449340873 1032457187 /nfs/dbraw/zinc/45/71/87/1032457187.db2.gz QSMAHFTTYBDJJC-HXUWFJFHSA-N 1 2 348.450 3.859 20 0 EHADLO Cc1[nH+]c(NCc2ccc(OCC3CC3)cc2)ccc1-c1cnn(C)c1 ZINC000449345751 1032460119 /nfs/dbraw/zinc/46/01/19/1032460119.db2.gz JPTTWAQLDVNSJH-UHFFFAOYSA-N 1 2 348.450 3.613 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000118943220 1032468756 /nfs/dbraw/zinc/46/87/56/1032468756.db2.gz YDDYRBHMBGSBDR-ZDUSSCGKSA-N 1 2 349.425 3.702 20 0 EHADLO Cc1nc2sc3c(c2c(N[C@@H](C)Cn2cc[nH+]c2)n1)CCCC3 ZINC000536987428 1032463609 /nfs/dbraw/zinc/46/36/09/1032463609.db2.gz OIEDLPONOZAREV-NSHDSACASA-N 1 2 327.457 3.576 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC(OC4CCCCC4)CC3)ccn12 ZINC000584419298 1032491191 /nfs/dbraw/zinc/49/11/91/1032491191.db2.gz BGMQXFHGLANOTR-UHFFFAOYSA-N 1 2 341.455 3.597 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000086361154 1032484469 /nfs/dbraw/zinc/48/44/69/1032484469.db2.gz VXEBBDWUEFHQGF-MRXNPFEDSA-N 1 2 340.471 3.650 20 0 EHADLO C[C@H](C[N@H+](C)Cc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000459814298 1032486862 /nfs/dbraw/zinc/48/68/62/1032486862.db2.gz UKALADXZUVALBA-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000459814298 1032486866 /nfs/dbraw/zinc/48/68/66/1032486866.db2.gz UKALADXZUVALBA-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cncn3)c(F)c2)cs1 ZINC000547853829 1017089965 /nfs/dbraw/zinc/08/99/65/1017089965.db2.gz KLRXARTZTBENAK-QGZVFWFLSA-N 1 2 343.431 3.508 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(-n3cncn3)c(F)c2)cs1 ZINC000547853829 1017089979 /nfs/dbraw/zinc/08/99/79/1017089979.db2.gz KLRXARTZTBENAK-QGZVFWFLSA-N 1 2 343.431 3.508 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c(C)o1 ZINC000659825731 1017097264 /nfs/dbraw/zinc/09/72/64/1017097264.db2.gz FGZDVRBYXXZPKC-ZDUSSCGKSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@H](C)Sc4ccccc43)[nH+]c12 ZINC000088221590 1032494950 /nfs/dbraw/zinc/49/49/50/1032494950.db2.gz YENRXEFCXLMFKQ-AWEZNQCLSA-N 1 2 337.448 3.713 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000087121237 1032497527 /nfs/dbraw/zinc/49/75/27/1032497527.db2.gz YPSWOPDINRBJCF-JTQLQIEISA-N 1 2 346.283 3.779 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000170250486 1032501525 /nfs/dbraw/zinc/50/15/25/1032501525.db2.gz KMAKKTOPYYCOPA-HXUWFJFHSA-N 1 2 345.446 3.675 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H]3CCCc4cc(F)ccc43)[nH]2)cc1 ZINC000537097387 1032509486 /nfs/dbraw/zinc/50/94/86/1032509486.db2.gz MZLPLLCNQWZBMW-KRWDZBQOSA-N 1 2 340.377 3.917 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@H]3CCCc4cc(F)ccc43)n2)cc1 ZINC000537097387 1032509491 /nfs/dbraw/zinc/50/94/91/1032509491.db2.gz MZLPLLCNQWZBMW-KRWDZBQOSA-N 1 2 340.377 3.917 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1OCc1cccnc1 ZINC000449415246 1032520123 /nfs/dbraw/zinc/52/01/23/1032520123.db2.gz OGRMZBPRNXGHJW-ZDUSSCGKSA-N 1 2 336.382 3.803 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC34CC4)CC2)s1 ZINC000528628881 1032525625 /nfs/dbraw/zinc/52/56/25/1032525625.db2.gz WUZFMDVVZWMRME-KRWDZBQOSA-N 1 2 332.513 3.535 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000537154104 1032537858 /nfs/dbraw/zinc/53/78/58/1032537858.db2.gz SCRXVGCCXGFVOX-ZDUSSCGKSA-N 1 2 346.500 3.762 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1c(F)cccc1Cl ZINC000537173912 1032548112 /nfs/dbraw/zinc/54/81/12/1032548112.db2.gz OALHDSPMPFROHB-UPJWGTAASA-N 1 2 326.843 3.634 20 0 EHADLO CCn1ccnc1C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000449435335 1032550928 /nfs/dbraw/zinc/55/09/28/1032550928.db2.gz AZAORAPRYXVWGD-UHFFFAOYSA-N 1 2 344.406 3.758 20 0 EHADLO O=C(CCCc1ccc2ccccc2c1)NCCCCn1cc[nH+]c1 ZINC000537199216 1032556123 /nfs/dbraw/zinc/55/61/23/1032556123.db2.gz CTZLQMFHQDLLNQ-UHFFFAOYSA-N 1 2 335.451 3.956 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453927 1032571713 /nfs/dbraw/zinc/57/17/13/1032571713.db2.gz YFCZOWGCZBOJST-GRYCIOLGSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453927 1032571716 /nfs/dbraw/zinc/57/17/16/1032571716.db2.gz YFCZOWGCZBOJST-GRYCIOLGSA-N 1 2 334.407 3.677 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000584439898 1032592642 /nfs/dbraw/zinc/59/26/42/1032592642.db2.gz RXOYMOTWUSPEPY-UHFFFAOYSA-N 1 2 338.411 3.581 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000129766919 1032596774 /nfs/dbraw/zinc/59/67/74/1032596774.db2.gz OMLZKXFNVHDLKN-UHFFFAOYSA-N 1 2 334.489 3.706 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000129766919 1032596778 /nfs/dbraw/zinc/59/67/78/1032596778.db2.gz OMLZKXFNVHDLKN-UHFFFAOYSA-N 1 2 334.489 3.706 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC2CCC(c3ccc(F)cc3)CC2)c[nH+]1 ZINC000897356557 1032625413 /nfs/dbraw/zinc/62/54/13/1032625413.db2.gz XPSMTCHEAAHKMR-UHFFFAOYSA-N 1 2 343.446 3.908 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000606355538 1032634429 /nfs/dbraw/zinc/63/44/29/1032634429.db2.gz UKEWLNURRUNNFP-ZDUSSCGKSA-N 1 2 343.496 3.826 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000606355538 1032634442 /nfs/dbraw/zinc/63/44/42/1032634442.db2.gz UKEWLNURRUNNFP-ZDUSSCGKSA-N 1 2 343.496 3.826 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161547 1032645490 /nfs/dbraw/zinc/64/54/90/1032645490.db2.gz PDXJZMYCMQZXMA-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161547 1032645505 /nfs/dbraw/zinc/64/55/05/1032645505.db2.gz PDXJZMYCMQZXMA-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)c(F)c1 ZINC000592982229 1032649479 /nfs/dbraw/zinc/64/94/79/1032649479.db2.gz HKAYVJUSUPQKFF-ZDUSSCGKSA-N 1 2 332.444 3.971 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)c(F)c1 ZINC000592982229 1032649484 /nfs/dbraw/zinc/64/94/84/1032649484.db2.gz HKAYVJUSUPQKFF-ZDUSSCGKSA-N 1 2 332.444 3.971 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)cc1 ZINC000592984228 1032656869 /nfs/dbraw/zinc/65/68/69/1032656869.db2.gz VSWBAKLYRIWMER-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)cc1 ZINC000592984228 1032656876 /nfs/dbraw/zinc/65/68/76/1032656876.db2.gz VSWBAKLYRIWMER-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000606374232 1032657883 /nfs/dbraw/zinc/65/78/83/1032657883.db2.gz CIMJJKDGOJEBTM-MRXNPFEDSA-N 1 2 325.456 3.756 20 0 EHADLO CSCc1cccc(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602138903 1032666550 /nfs/dbraw/zinc/66/65/50/1032666550.db2.gz FGKBHRCMDGOJNF-KRWDZBQOSA-N 1 2 331.485 3.650 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)ccc3C)CC2)s1 ZINC000606395830 1032670926 /nfs/dbraw/zinc/67/09/26/1032670926.db2.gz SRSYHSHTUOINOB-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cnc1Br ZINC000228493638 1032673719 /nfs/dbraw/zinc/67/37/19/1032673719.db2.gz FSSHQOVAJIDZNN-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CC(C)c1sc(NC(=O)Cc2c[nH+]cn2C)nc1-c1ccccc1 ZINC000188700458 1017245141 /nfs/dbraw/zinc/24/51/41/1017245141.db2.gz KKYROTSSYBZLSY-UHFFFAOYSA-N 1 2 340.452 3.848 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450310 1032691094 /nfs/dbraw/zinc/69/10/94/1032691094.db2.gz WBKRFTJJVVXUJF-MRXNPFEDSA-N 1 2 340.442 3.794 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606450310 1032691102 /nfs/dbraw/zinc/69/11/02/1032691102.db2.gz WBKRFTJJVVXUJF-MRXNPFEDSA-N 1 2 340.442 3.794 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449965 1032695558 /nfs/dbraw/zinc/69/55/58/1032695558.db2.gz KOYBAPQVZLKFHO-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449965 1032695565 /nfs/dbraw/zinc/69/55/65/1032695565.db2.gz KOYBAPQVZLKFHO-AWEZNQCLSA-N 1 2 326.415 3.946 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1nnc2ccccn21 ZINC000625302949 1017388742 /nfs/dbraw/zinc/38/87/42/1017388742.db2.gz FZCHTHDNXFTLOD-MRXNPFEDSA-N 1 2 330.819 3.575 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(C)c[nH+]1 ZINC000574036088 1032700681 /nfs/dbraw/zinc/70/06/81/1032700681.db2.gz NQEWILNEBYIROE-OAHLLOKOSA-N 1 2 329.831 3.795 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000121494326 1017458010 /nfs/dbraw/zinc/45/80/10/1017458010.db2.gz NFVMUJRVMOOWQH-SJORKVTESA-N 1 2 340.471 3.509 20 0 EHADLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC001143489155 1017484337 /nfs/dbraw/zinc/48/43/37/1017484337.db2.gz XYDPTUWAPAIBSW-UHFFFAOYSA-N 1 2 325.399 3.897 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cc3n(n2)CCCC3)ccn1 ZINC000655735457 1017484673 /nfs/dbraw/zinc/48/46/73/1017484673.db2.gz VRMWKBKEMHSFPL-INIZCTEOSA-N 1 2 342.487 3.718 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccco1 ZINC000655743144 1017512062 /nfs/dbraw/zinc/51/20/62/1017512062.db2.gz NSCXFTGWIXAAST-SFHVURJKSA-N 1 2 325.412 3.559 20 0 EHADLO C[C@@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000547949543 1017519841 /nfs/dbraw/zinc/51/98/41/1017519841.db2.gz DJBWTYJOCCMCEW-RHSMWYFYSA-N 1 2 342.443 3.642 20 0 EHADLO CCOc1c(C[NH2+][C@@H](C)c2nc(C)cs2)c(C)nn1CC(C)C ZINC000892855738 1017594064 /nfs/dbraw/zinc/59/40/64/1017594064.db2.gz KHGLDQUYLFOEDH-AWEZNQCLSA-N 1 2 336.505 3.862 20 0 EHADLO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CCc1[nH]cc[nH+]1 ZINC001143491758 1017608717 /nfs/dbraw/zinc/60/87/17/1017608717.db2.gz QYHNQWYWTDTZAM-SFHVURJKSA-N 1 2 327.472 3.992 20 0 EHADLO CC(C)(C)C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000655796831 1017636698 /nfs/dbraw/zinc/63/66/98/1017636698.db2.gz JMYOWQCQVYKQLL-HOTGVXAUSA-N 1 2 328.460 3.923 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000177399746 1017673616 /nfs/dbraw/zinc/67/36/16/1017673616.db2.gz MUBPITMCZDJGMH-VXGBXAGGSA-N 1 2 338.864 3.533 20 0 EHADLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000048400591 1017702632 /nfs/dbraw/zinc/70/26/32/1017702632.db2.gz CCFWNHWGNDVIJK-ZDUSSCGKSA-N 1 2 344.224 3.506 20 0 EHADLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1F ZINC000048400591 1017702640 /nfs/dbraw/zinc/70/26/40/1017702640.db2.gz CCFWNHWGNDVIJK-ZDUSSCGKSA-N 1 2 344.224 3.506 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)NCCCC(C)C)CC2)s1 ZINC000606482333 1032721044 /nfs/dbraw/zinc/72/10/44/1032721044.db2.gz OBRFIUFIAULGJQ-UHFFFAOYSA-N 1 2 337.533 3.574 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc2c(c1)COC2 ZINC000340427836 1017760240 /nfs/dbraw/zinc/76/02/40/1017760240.db2.gz UYFSIIONKSRSFW-GHMZBOCLSA-N 1 2 348.244 3.681 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046898680 1017820702 /nfs/dbraw/zinc/82/07/02/1017820702.db2.gz WYZQUBJKZWHTAE-PBHICJAKSA-N 1 2 346.450 3.887 20 0 EHADLO CC(C)c1ncc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000092149062 1032725217 /nfs/dbraw/zinc/72/52/17/1032725217.db2.gz NUXLRHQFJAJYOZ-UHFFFAOYSA-N 1 2 349.525 3.676 20 0 EHADLO CC(C)c1ncc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000092149062 1032725234 /nfs/dbraw/zinc/72/52/34/1032725234.db2.gz NUXLRHQFJAJYOZ-UHFFFAOYSA-N 1 2 349.525 3.676 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000547977753 1017880333 /nfs/dbraw/zinc/88/03/33/1017880333.db2.gz GXPAFKYJBSGBPL-TVQRCGJNSA-N 1 2 339.365 3.509 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(F)cn1 ZINC000547980652 1017905531 /nfs/dbraw/zinc/90/55/31/1017905531.db2.gz KDRGHZRTOZGVIN-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cnnn1-c1ccccc1)CCC2 ZINC000377565630 1017996097 /nfs/dbraw/zinc/99/60/97/1017996097.db2.gz TXEPAGOXZBSGKQ-KRWDZBQOSA-N 1 2 339.468 3.542 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cnnn1-c1ccccc1)CCC2 ZINC000377565630 1017996105 /nfs/dbraw/zinc/99/61/05/1017996105.db2.gz TXEPAGOXZBSGKQ-KRWDZBQOSA-N 1 2 339.468 3.542 20 0 EHADLO CC1(C)CC(Nc2cc(-c3ccncc3)cc[nH+]2)CC(C)(C)N1O ZINC001167719876 1018066045 /nfs/dbraw/zinc/06/60/45/1018066045.db2.gz PVWRNZQCJLLMRM-UHFFFAOYSA-N 1 2 326.444 3.966 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)cc1 ZINC000078968527 1018081475 /nfs/dbraw/zinc/08/14/75/1018081475.db2.gz SHCWWQJOXISHOH-MRXNPFEDSA-N 1 2 336.439 3.905 20 0 EHADLO CCc1nc([C@H]2CCCC[N@@H+]2CCCCCn2cc(C)cn2)no1 ZINC000377632269 1018096604 /nfs/dbraw/zinc/09/66/04/1018096604.db2.gz ZNHIAABWHOQQIA-MRXNPFEDSA-N 1 2 331.464 3.534 20 0 EHADLO CCc1nc([C@H]2CCCC[N@H+]2CCCCCn2cc(C)cn2)no1 ZINC000377632269 1018096613 /nfs/dbraw/zinc/09/66/13/1018096613.db2.gz ZNHIAABWHOQQIA-MRXNPFEDSA-N 1 2 331.464 3.534 20 0 EHADLO OCCC[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000893006202 1018128761 /nfs/dbraw/zinc/12/87/61/1018128761.db2.gz AYRCICHJBYLMPV-ZDUSSCGKSA-N 1 2 330.375 3.765 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccncc1F ZINC000340500643 1018154091 /nfs/dbraw/zinc/15/40/91/1018154091.db2.gz GFSULQPLKOWUSX-KZULUSFZSA-N 1 2 328.366 3.534 20 0 EHADLO CC[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000047501064 1018191525 /nfs/dbraw/zinc/19/15/25/1018191525.db2.gz LHRPMSBDLCODNA-HNNXBMFYSA-N 1 2 332.835 3.597 20 0 EHADLO CC[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000047501066 1018193410 /nfs/dbraw/zinc/19/34/10/1018193410.db2.gz LHRPMSBDLCODNA-OAHLLOKOSA-N 1 2 332.835 3.597 20 0 EHADLO O=C(COc1cccc(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514913 1018210216 /nfs/dbraw/zinc/21/02/16/1018210216.db2.gz KIVWXKNODGHQRJ-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000042532590 1018334165 /nfs/dbraw/zinc/33/41/65/1018334165.db2.gz JLUBWALPYFBHLX-CYBMUJFWSA-N 1 2 347.509 3.570 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000593097401 1032759230 /nfs/dbraw/zinc/75/92/30/1032759230.db2.gz ZAKFUTGEOXYCBU-HNNXBMFYSA-N 1 2 349.475 3.814 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000593097401 1032759248 /nfs/dbraw/zinc/75/92/48/1032759248.db2.gz ZAKFUTGEOXYCBU-HNNXBMFYSA-N 1 2 349.475 3.814 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001143500225 1018373330 /nfs/dbraw/zinc/37/33/30/1018373330.db2.gz YKYZLMNRUVGSAT-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001143500225 1018373339 /nfs/dbraw/zinc/37/33/39/1018373339.db2.gz YKYZLMNRUVGSAT-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580832 1032764923 /nfs/dbraw/zinc/76/49/23/1032764923.db2.gz GLIIHRGNFGLVMC-HIFRSBDPSA-N 1 2 338.386 3.883 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000606581703 1032767395 /nfs/dbraw/zinc/76/73/95/1032767395.db2.gz NJYSDRFCEBYOND-MRXNPFEDSA-N 1 2 338.436 3.656 20 0 EHADLO FC(F)(F)COc1cc(NCc2ccnn2-c2ccccc2)cc[nH+]1 ZINC000340563267 1018489805 /nfs/dbraw/zinc/48/98/05/1018489805.db2.gz WTFSBRSPCDTVHS-UHFFFAOYSA-N 1 2 348.328 3.821 20 0 EHADLO CC(C)C[C@@H](c1nc(COc2ccccc2F)no1)n1cc[nH+]c1 ZINC000924089636 1018509006 /nfs/dbraw/zinc/50/90/06/1018509006.db2.gz ADBNPZWCPJTXJH-AWEZNQCLSA-N 1 2 330.363 3.620 20 0 EHADLO Cc1cc(N2CC[C@H](n3cnc4ccccc43)C2)nc(C2CCC2)[nH+]1 ZINC000893121472 1018556503 /nfs/dbraw/zinc/55/65/03/1018556503.db2.gz RCHDPFISKWZVRA-INIZCTEOSA-N 1 2 333.439 3.854 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1Br ZINC000580105927 1018653530 /nfs/dbraw/zinc/65/35/30/1018653530.db2.gz BOBFLVUTTBBLBP-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000028176131 1018681066 /nfs/dbraw/zinc/68/10/66/1018681066.db2.gz JDULILPESMVOQI-DZGCQCFKSA-N 1 2 346.521 3.920 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000028176131 1018681068 /nfs/dbraw/zinc/68/10/68/1018681068.db2.gz JDULILPESMVOQI-DZGCQCFKSA-N 1 2 346.521 3.920 20 0 EHADLO CCCCN(C)C(=O)C1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000052187019 1018857191 /nfs/dbraw/zinc/85/71/91/1018857191.db2.gz KRXGBROGBHTAAI-UHFFFAOYSA-N 1 2 337.533 3.737 20 0 EHADLO Cc1ccc(F)c(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)c1Cl ZINC001279445875 1018885908 /nfs/dbraw/zinc/88/59/08/1018885908.db2.gz RHWBQGILTXUVCA-UHFFFAOYSA-N 1 2 333.838 3.576 20 0 EHADLO Cc1ccc(F)c(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)c1Cl ZINC001279445875 1018885927 /nfs/dbraw/zinc/88/59/27/1018885927.db2.gz RHWBQGILTXUVCA-UHFFFAOYSA-N 1 2 333.838 3.576 20 0 EHADLO Cc1cc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n(C)n1 ZINC000340628171 1018996557 /nfs/dbraw/zinc/99/65/57/1018996557.db2.gz PEYMLFRIDSZSEM-FQEVSTJZSA-N 1 2 348.450 3.507 20 0 EHADLO Cc1nc([C@H]2CCCCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000408462517 1019022168 /nfs/dbraw/zinc/02/21/68/1019022168.db2.gz DOJRIGVQGGUCQP-OAHLLOKOSA-N 1 2 343.431 3.847 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000119291876 1032804051 /nfs/dbraw/zinc/80/40/51/1032804051.db2.gz UEGQGQVYVWDFMB-CVEARBPZSA-N 1 2 343.446 3.534 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC[C@@H]1c1ccco1)C2 ZINC000476069093 1032805558 /nfs/dbraw/zinc/80/55/58/1032805558.db2.gz CQNQQAPITWAJHJ-RHSMWYFYSA-N 1 2 341.455 3.985 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC[C@@H]1c1ccco1)CC2 ZINC000476069093 1032805577 /nfs/dbraw/zinc/80/55/77/1032805577.db2.gz CQNQQAPITWAJHJ-RHSMWYFYSA-N 1 2 341.455 3.985 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449561591 1032812479 /nfs/dbraw/zinc/81/24/79/1032812479.db2.gz DFDRRHLALSJIEK-ZDUSSCGKSA-N 1 2 329.835 3.593 20 0 EHADLO c1ccc([C@H](C[NH+]2CCOCC2)Nc2nc3ccccc3s2)cc1 ZINC000052722256 1019214442 /nfs/dbraw/zinc/21/44/42/1019214442.db2.gz XYQJKJKEDQEUBX-KRWDZBQOSA-N 1 2 339.464 3.782 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580380531 1019227014 /nfs/dbraw/zinc/22/70/14/1019227014.db2.gz OVMQMDUWXLBZBN-APWZRJJASA-N 1 2 325.456 3.511 20 0 EHADLO CSc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000052750695 1019236508 /nfs/dbraw/zinc/23/65/08/1019236508.db2.gz MPHJNWGJLWBCLD-UHFFFAOYSA-N 1 2 340.492 3.675 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255504411 1019283430 /nfs/dbraw/zinc/28/34/30/1019283430.db2.gz MWVZAMIHYOMUFZ-SBSDFTTDSA-N 1 2 349.356 3.606 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc(-n2cccc2)c1 ZINC000052910055 1019305387 /nfs/dbraw/zinc/30/53/87/1019305387.db2.gz AYAJQFKXPFRAEB-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000052926938 1019314362 /nfs/dbraw/zinc/31/43/62/1019314362.db2.gz DQCYHJUFOJMKJE-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO CCc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)[nH]c(C)c1C(C)=O ZINC000052927506 1019319688 /nfs/dbraw/zinc/31/96/88/1019319688.db2.gz RGQMJGYNGMTYIW-UHFFFAOYSA-N 1 2 336.395 3.526 20 0 EHADLO Clc1ccc2cccnc2c1C[NH+]1CCN(c2nccs2)CC1 ZINC000052358710 1019325660 /nfs/dbraw/zinc/32/56/60/1019325660.db2.gz KOBYAFCURDDZKC-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1noc2ncc(C[NH2+][C@H](COCC(C)C)c3ccco3)cc12 ZINC000894212035 1019345344 /nfs/dbraw/zinc/34/53/44/1019345344.db2.gz WXLKAYZMEUSKMY-MRXNPFEDSA-N 1 2 329.400 3.628 20 0 EHADLO CCc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)s1 ZINC000729408900 1019349994 /nfs/dbraw/zinc/34/99/94/1019349994.db2.gz PDXSRNLJTMLKSZ-AWEZNQCLSA-N 1 2 344.480 3.956 20 0 EHADLO FC(F)c1nnc2ccc(Nc3ccc([NH+]4CCCCC4)cc3)nn21 ZINC000092581707 1032829525 /nfs/dbraw/zinc/82/95/25/1032829525.db2.gz JWYMEWZZAMVLSY-UHFFFAOYSA-N 1 2 344.369 3.796 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c(C)c[nH+]1 ZINC000683947431 1019438305 /nfs/dbraw/zinc/43/83/05/1019438305.db2.gz XROVDFFGVKWJLY-CQSZACIVSA-N 1 2 341.308 3.526 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)c1 ZINC000513323636 1019532623 /nfs/dbraw/zinc/53/26/23/1019532623.db2.gz NVWZMPQMJMEZRH-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000513338847 1019542072 /nfs/dbraw/zinc/54/20/72/1019542072.db2.gz BHOBUZVCXBYEDF-MBOZVWFJSA-N 1 2 344.499 3.628 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000513338847 1019542085 /nfs/dbraw/zinc/54/20/85/1019542085.db2.gz BHOBUZVCXBYEDF-MBOZVWFJSA-N 1 2 344.499 3.628 20 0 EHADLO Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000513342889 1019563131 /nfs/dbraw/zinc/56/31/31/1019563131.db2.gz KSDRSGSTJSVILP-GOSISDBHSA-N 1 2 325.362 3.928 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275907203 1019585652 /nfs/dbraw/zinc/58/56/52/1019585652.db2.gz IWGLRHUTUCZYBQ-LJQANCHMSA-N 1 2 338.455 3.584 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275907203 1019585666 /nfs/dbraw/zinc/58/56/66/1019585666.db2.gz IWGLRHUTUCZYBQ-LJQANCHMSA-N 1 2 338.455 3.584 20 0 EHADLO Fc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OC(F)F ZINC000580543104 1019594595 /nfs/dbraw/zinc/59/45/95/1019594595.db2.gz MUIKZPRRDMZOPF-RDJZCZTQSA-N 1 2 327.346 3.571 20 0 EHADLO Fc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OC(F)F ZINC000580543104 1019594606 /nfs/dbraw/zinc/59/46/06/1019594606.db2.gz MUIKZPRRDMZOPF-RDJZCZTQSA-N 1 2 327.346 3.571 20 0 EHADLO COc1ccc(C[NH+]2CCN([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000513411013 1019615011 /nfs/dbraw/zinc/61/50/11/1019615011.db2.gz IURPPBRDWWGDPX-QGZVFWFLSA-N 1 2 340.467 3.583 20 0 EHADLO C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)c2ncnn21 ZINC000664185253 1019695891 /nfs/dbraw/zinc/69/58/91/1019695891.db2.gz BGVTYRDDRLAPOC-TVQRCGJNSA-N 1 2 333.317 3.963 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c(F)c1F ZINC000430020386 1019781999 /nfs/dbraw/zinc/78/19/99/1019781999.db2.gz PCZMOCWQBWELJP-UHFFFAOYSA-N 1 2 335.304 3.923 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000255661652 1019794503 /nfs/dbraw/zinc/79/45/03/1019794503.db2.gz VNSNYKWREYCSSA-XQJDBVBESA-N 1 2 332.797 3.922 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000255661652 1019794521 /nfs/dbraw/zinc/79/45/21/1019794521.db2.gz VNSNYKWREYCSSA-XQJDBVBESA-N 1 2 332.797 3.922 20 0 EHADLO Clc1cccnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020134 1019826199 /nfs/dbraw/zinc/82/61/99/1019826199.db2.gz HNNGXSZJSAMXKZ-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000047992857 1019879335 /nfs/dbraw/zinc/87/93/35/1019879335.db2.gz BCEFPIRUISEQFI-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nc(N)c3ccccc3n1)[C@H]2C ZINC000340771266 1019964949 /nfs/dbraw/zinc/96/49/49/1019964949.db2.gz CCQYZCMSYSXWKG-KBPBESRZSA-N 1 2 348.450 3.559 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nc(N)c3ccccc3n1)[C@H]2C ZINC000340771266 1019964960 /nfs/dbraw/zinc/96/49/60/1019964960.db2.gz CCQYZCMSYSXWKG-KBPBESRZSA-N 1 2 348.450 3.559 20 0 EHADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000580753415 1019982373 /nfs/dbraw/zinc/98/23/73/1019982373.db2.gz OLGLNOBEVMWAFP-HUUCEWRRSA-N 1 2 338.860 3.643 20 0 EHADLO C[C@@H]1c2ccccc2CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340798001 1020006425 /nfs/dbraw/zinc/00/64/25/1020006425.db2.gz XCGVQWBIVMNMTM-MRXNPFEDSA-N 1 2 346.434 3.718 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000280087849 1020048752 /nfs/dbraw/zinc/04/87/52/1020048752.db2.gz RVJMWCQBMFPLSH-SJLPKXTDSA-N 1 2 345.464 3.501 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000280087849 1020048765 /nfs/dbraw/zinc/04/87/65/1020048765.db2.gz RVJMWCQBMFPLSH-SJLPKXTDSA-N 1 2 345.464 3.501 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000932973383 1020067989 /nfs/dbraw/zinc/06/79/89/1020067989.db2.gz WGAPNLFAFNYQBF-KRWDZBQOSA-N 1 2 340.423 3.528 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000932973383 1020067999 /nfs/dbraw/zinc/06/79/99/1020067999.db2.gz WGAPNLFAFNYQBF-KRWDZBQOSA-N 1 2 340.423 3.528 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1coc(-c2ccccc2Cl)n1 ZINC000345250657 1020070740 /nfs/dbraw/zinc/07/07/40/1020070740.db2.gz MNKCPEPICIRLLA-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO Cc1noc([C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000345306847 1020143918 /nfs/dbraw/zinc/14/39/18/1020143918.db2.gz RYBDMXBVHVKGOI-BZNIZROVSA-N 1 2 335.835 3.850 20 0 EHADLO Cc1noc([C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000345306848 1020145106 /nfs/dbraw/zinc/14/51/06/1020145106.db2.gz RYBDMXBVHVKGOI-MEDUHNTESA-N 1 2 335.835 3.850 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345413810 1020230509 /nfs/dbraw/zinc/23/05/09/1020230509.db2.gz LYKYQVGAHYRBKJ-HNNXBMFYSA-N 1 2 340.354 3.569 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000656332030 1020265612 /nfs/dbraw/zinc/26/56/12/1020265612.db2.gz RXNDJFZIANLOHG-UHFFFAOYSA-N 1 2 344.484 3.819 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345453403 1020267104 /nfs/dbraw/zinc/26/71/04/1020267104.db2.gz SPSYCTLZGYLSKK-HYVNUMGLSA-N 1 2 342.826 3.518 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000345483808 1020292107 /nfs/dbraw/zinc/29/21/07/1020292107.db2.gz MCOBREDPAIEIQL-GUYCJALGSA-N 1 2 330.815 3.518 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000580962354 1020305971 /nfs/dbraw/zinc/30/59/71/1020305971.db2.gz OMMKTEQXOPKHLI-CXAGYDPISA-N 1 2 331.847 3.996 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000580962354 1020305977 /nfs/dbraw/zinc/30/59/77/1020305977.db2.gz OMMKTEQXOPKHLI-CXAGYDPISA-N 1 2 331.847 3.996 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606896917 1032891148 /nfs/dbraw/zinc/89/11/48/1032891148.db2.gz FLWNSTVWCAOWRF-HNNXBMFYSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606896917 1032891167 /nfs/dbraw/zinc/89/11/67/1032891167.db2.gz FLWNSTVWCAOWRF-HNNXBMFYSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)nc2ccccc12 ZINC000280370244 1020330299 /nfs/dbraw/zinc/33/02/99/1020330299.db2.gz KJQVFHGACBDIAC-YJYMSZOUSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)nc2ccccc12 ZINC000280370244 1020330308 /nfs/dbraw/zinc/33/03/08/1020330308.db2.gz KJQVFHGACBDIAC-YJYMSZOUSA-N 1 2 346.858 3.576 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992336 1020339819 /nfs/dbraw/zinc/33/98/19/1020339819.db2.gz MHKIUSHSAIEKEM-OWJWWREXSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992336 1020339826 /nfs/dbraw/zinc/33/98/26/1020339826.db2.gz MHKIUSHSAIEKEM-OWJWWREXSA-N 1 2 347.455 3.961 20 0 EHADLO CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)c3cccc1c32 ZINC000345593902 1020381291 /nfs/dbraw/zinc/38/12/91/1020381291.db2.gz UPHNAXZPBXVQFM-VCBZYWHSSA-N 1 2 349.478 3.862 20 0 EHADLO Cc1nc(N2CCC(F)(c3ccccn3)CC2)c2c([nH+]1)CCCC2 ZINC000581075330 1020404691 /nfs/dbraw/zinc/40/46/91/1020404691.db2.gz QSIXZWKSUKFJGQ-UHFFFAOYSA-N 1 2 326.419 3.524 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000345621697 1020416982 /nfs/dbraw/zinc/41/69/82/1020416982.db2.gz DQLUGPVARPEWTB-ZDUSSCGKSA-N 1 2 349.887 3.834 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1CCC[C@H]1c1cccs1 ZINC000528825613 1032899809 /nfs/dbraw/zinc/89/98/09/1032899809.db2.gz DQTJQZVQGQSRDF-YDHLFZDLSA-N 1 2 347.459 3.685 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)NCCCNc1cccc[nH+]1 ZINC000345649223 1020424400 /nfs/dbraw/zinc/42/44/00/1020424400.db2.gz YWWNAWLIJJPUAC-UHFFFAOYSA-N 1 2 327.359 3.507 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn[nH]c2)c2ccccc2Cl)cc1 ZINC000606914426 1032901595 /nfs/dbraw/zinc/90/15/95/1032901595.db2.gz JIKCWXPCRKLCEG-SFHVURJKSA-N 1 2 327.815 3.951 20 0 EHADLO COCc1cnc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000345705761 1020461096 /nfs/dbraw/zinc/46/10/96/1020461096.db2.gz LCFYUMXHDYIVPR-AWEZNQCLSA-N 1 2 338.860 3.946 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2ccc(CC(C)C)nc2)CCCCC1 ZINC001204552100 1020462857 /nfs/dbraw/zinc/46/28/57/1020462857.db2.gz NCSLDVJGTVQUJU-UHFFFAOYSA-N 1 2 332.488 3.978 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2ccc(CC(C)C)nc2)CCCCC1 ZINC001204552100 1020462865 /nfs/dbraw/zinc/46/28/65/1020462865.db2.gz NCSLDVJGTVQUJU-UHFFFAOYSA-N 1 2 332.488 3.978 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4cc(C)c(O)c(C)c4)no3)[nH+]c12 ZINC000581170711 1020497155 /nfs/dbraw/zinc/49/71/55/1020497155.db2.gz ZQQBYYJVVOQBJS-UHFFFAOYSA-N 1 2 334.379 3.606 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCc2ccccc2C1 ZINC000345900339 1020598303 /nfs/dbraw/zinc/59/83/03/1020598303.db2.gz GMXSIPAEFJXBOW-UHFFFAOYSA-N 1 2 331.419 3.520 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000345944517 1020610734 /nfs/dbraw/zinc/61/07/34/1020610734.db2.gz INRYQPKXSPTWTJ-JZXOWHBKSA-N 1 2 343.496 3.782 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(C2CCC2)cn1 ZINC000581273265 1020620806 /nfs/dbraw/zinc/62/08/06/1020620806.db2.gz ZWZOIAFJTXAGOZ-UHFFFAOYSA-N 1 2 346.434 3.775 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000280736649 1020621980 /nfs/dbraw/zinc/62/19/80/1020621980.db2.gz ZIFXGHRWEPNBFY-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000606928630 1032915219 /nfs/dbraw/zinc/91/52/19/1032915219.db2.gz OMSBIBLZBBTVOW-HNNXBMFYSA-N 1 2 343.496 3.584 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000606928630 1032915229 /nfs/dbraw/zinc/91/52/29/1032915229.db2.gz OMSBIBLZBBTVOW-HNNXBMFYSA-N 1 2 343.496 3.584 20 0 EHADLO CCCOc1cccc2c(NC[C@@H](CO)c3cccnc3)cc[nH+]c12 ZINC000340940257 1020657369 /nfs/dbraw/zinc/65/73/69/1020657369.db2.gz SJGVUPJRNWPOFY-INIZCTEOSA-N 1 2 337.423 3.607 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000501053430 1020687270 /nfs/dbraw/zinc/68/72/70/1020687270.db2.gz KPBMIBYPDLOBKI-MRXNPFEDSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000501053430 1020687271 /nfs/dbraw/zinc/68/72/71/1020687271.db2.gz KPBMIBYPDLOBKI-MRXNPFEDSA-N 1 2 331.378 3.751 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000667530870 1020687822 /nfs/dbraw/zinc/68/78/22/1020687822.db2.gz OCVNRIVOWCOCFJ-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000667530870 1020687827 /nfs/dbraw/zinc/68/78/27/1020687827.db2.gz OCVNRIVOWCOCFJ-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210419 1020755200 /nfs/dbraw/zinc/75/52/00/1020755200.db2.gz YFDDBPFAKOYPHJ-XHDPSFHLSA-N 1 2 327.325 3.784 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210419 1020755213 /nfs/dbraw/zinc/75/52/13/1020755213.db2.gz YFDDBPFAKOYPHJ-XHDPSFHLSA-N 1 2 327.325 3.784 20 0 EHADLO Cc1cc2c(s1)N(c1nccc3n[nH]nc31)c1ccccc1NC2=[NH2+] ZINC001167456774 1020775432 /nfs/dbraw/zinc/77/54/32/1020775432.db2.gz LKIZEWPRJUYJBB-UHFFFAOYSA-N 1 2 347.407 3.543 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000069391837 1020776966 /nfs/dbraw/zinc/77/69/66/1020776966.db2.gz DVPCUESLWBVDLQ-UHFFFAOYSA-N 1 2 345.446 3.837 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341013568 1020851149 /nfs/dbraw/zinc/85/11/49/1020851149.db2.gz KMMQPFYQXQUZDI-KGLIPLIRSA-N 1 2 332.423 3.635 20 0 EHADLO CCCCN(Cc1ccccc1F)C(=O)NCCCCn1cc[nH+]c1 ZINC000060558393 1020905960 /nfs/dbraw/zinc/90/59/60/1020905960.db2.gz CNRIPYVFTPQDSM-UHFFFAOYSA-N 1 2 346.450 3.814 20 0 EHADLO Cc1c[nH+]c(CNc2ccnn2Cc2ccc(C(C)(C)C)cc2)n1C ZINC000341049955 1020922782 /nfs/dbraw/zinc/92/27/82/1020922782.db2.gz QEKVKUBMJHSZAQ-UHFFFAOYSA-N 1 2 337.471 3.883 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Nc1ccc(F)c(C(C)=O)c1)c1ccccc1 ZINC000341090265 1020971311 /nfs/dbraw/zinc/97/13/11/1020971311.db2.gz QQJODBBESFCEFZ-SFHVURJKSA-N 1 2 328.387 3.660 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(F)c(C(C)=O)c1)c1ccccc1 ZINC000341090265 1020971312 /nfs/dbraw/zinc/97/13/12/1020971312.db2.gz QQJODBBESFCEFZ-SFHVURJKSA-N 1 2 328.387 3.660 20 0 EHADLO Fc1ccccc1-c1nc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)co1 ZINC000625558495 1021067668 /nfs/dbraw/zinc/06/76/68/1021067668.db2.gz YZZSJXCCYYCEMQ-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1ccccc1-c1nc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)co1 ZINC000625558495 1021067671 /nfs/dbraw/zinc/06/76/71/1021067671.db2.gz YZZSJXCCYYCEMQ-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000581574722 1021105247 /nfs/dbraw/zinc/10/52/47/1021105247.db2.gz KKNNTZNWNNITDN-ZGUWOUCSSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000581574722 1021105250 /nfs/dbraw/zinc/10/52/50/1021105250.db2.gz KKNNTZNWNNITDN-ZGUWOUCSSA-N 1 2 341.373 3.600 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(NCC(F)(F)F)c2)c[nH+]1 ZINC000897608626 1032955589 /nfs/dbraw/zinc/95/55/89/1032955589.db2.gz VHRBBPCUOZGODQ-UHFFFAOYSA-N 1 2 340.349 3.540 20 0 EHADLO CCc1ccccc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933320500 1021133639 /nfs/dbraw/zinc/13/36/39/1021133639.db2.gz GSDIIICNFMFLOQ-UHFFFAOYSA-N 1 2 346.272 3.971 20 0 EHADLO CSc1ccccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341233718 1021143907 /nfs/dbraw/zinc/14/39/07/1021143907.db2.gz BLFGLECDTPCIDV-UHFFFAOYSA-N 1 2 343.496 3.938 20 0 EHADLO CCOc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341237940 1021149435 /nfs/dbraw/zinc/14/94/35/1021149435.db2.gz IYBRTDZXRKRHSW-UHFFFAOYSA-N 1 2 341.455 3.614 20 0 EHADLO CC(C)c1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c2ccccn21 ZINC000581612203 1021150409 /nfs/dbraw/zinc/15/04/09/1021150409.db2.gz HQNJLXJHNDRXKX-QGZVFWFLSA-N 1 2 337.467 3.841 20 0 EHADLO CC(C)c1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c2ccccn21 ZINC000581612203 1021150412 /nfs/dbraw/zinc/15/04/12/1021150412.db2.gz HQNJLXJHNDRXKX-QGZVFWFLSA-N 1 2 337.467 3.841 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681559 1021157761 /nfs/dbraw/zinc/15/77/61/1021157761.db2.gz HURXGQPLVSKYNM-LSDHHAIUSA-N 1 2 331.485 3.619 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1cscn1 ZINC000656683072 1021160765 /nfs/dbraw/zinc/16/07/65/1021160765.db2.gz XGLLLOVJDBEZMP-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000656683109 1021160866 /nfs/dbraw/zinc/16/08/66/1021160866.db2.gz XPEJLBFSYBGMON-DZKIICNBSA-N 1 2 331.485 3.840 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000656681682 1021163098 /nfs/dbraw/zinc/16/30/98/1021163098.db2.gz JSYGKFJKBRXWCO-MELADBBJSA-N 1 2 331.485 3.622 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000341257468 1021207857 /nfs/dbraw/zinc/20/78/57/1021207857.db2.gz GYPURVYUFPTWKM-MRXNPFEDSA-N 1 2 344.503 3.562 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@]34CCCc3ccccc34)ccc2[nH+]1 ZINC000439170376 1021210698 /nfs/dbraw/zinc/21/06/98/1021210698.db2.gz OYOIGSGYSFBSJH-RXVVDRJESA-N 1 2 331.419 3.875 20 0 EHADLO COC[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000638600048 1021246355 /nfs/dbraw/zinc/24/63/55/1021246355.db2.gz RWLAZODRLWTHMI-HXUWFJFHSA-N 1 2 348.450 3.622 20 0 EHADLO CCCCC[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000076546464 1021269073 /nfs/dbraw/zinc/26/90/73/1021269073.db2.gz SFXMXIUWKZHJLO-WMZOPIPTSA-N 1 2 328.460 3.892 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1nc(CCC(C)C)no1)Cc1ccccc1 ZINC000439262561 1021288550 /nfs/dbraw/zinc/28/85/50/1021288550.db2.gz PKLGORSEWPVCMV-FQEVSTJZSA-N 1 2 345.487 3.821 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1nc(CCC(C)C)no1)Cc1ccccc1 ZINC000439262561 1021288557 /nfs/dbraw/zinc/28/85/57/1021288557.db2.gz PKLGORSEWPVCMV-FQEVSTJZSA-N 1 2 345.487 3.821 20 0 EHADLO O=C1N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)Nc2c3ccccc3sc21 ZINC000172859577 1032971186 /nfs/dbraw/zinc/97/11/86/1032971186.db2.gz QACAJSCGUORDHZ-SFHVURJKSA-N 1 2 346.415 3.941 20 0 EHADLO C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000516364273 1021360879 /nfs/dbraw/zinc/36/08/79/1021360879.db2.gz NRDTZLJDYKURQL-ZDUSSCGKSA-N 1 2 348.397 3.564 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000436927772 1021389063 /nfs/dbraw/zinc/38/90/63/1021389063.db2.gz PGQGLSWSLPJHCV-LBPRGKRZSA-N 1 2 343.814 3.608 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)nc2c3ccccc3oc21 ZINC000625775830 1021411520 /nfs/dbraw/zinc/41/15/20/1021411520.db2.gz RNWQNMVTCFBZHR-NEPJUHHUSA-N 1 2 341.436 3.552 20 0 EHADLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc(C2CCCCC2)cc1 ZINC000449652995 1032977594 /nfs/dbraw/zinc/97/75/94/1032977594.db2.gz RFUZWQONHWXRAL-KRWDZBQOSA-N 1 2 336.426 3.709 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000426381228 1021437898 /nfs/dbraw/zinc/43/78/98/1021437898.db2.gz VZFKPXKYBRNKNU-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000426381228 1021437905 /nfs/dbraw/zinc/43/79/05/1021437905.db2.gz VZFKPXKYBRNKNU-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)on1 ZINC000602571310 1032980450 /nfs/dbraw/zinc/98/04/50/1032980450.db2.gz ZQJMTTVEQWDBAK-OAHLLOKOSA-N 1 2 338.354 3.616 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000516486454 1021479646 /nfs/dbraw/zinc/47/96/46/1021479646.db2.gz QAXZAUPWBPZAJM-AVGNSLFASA-N 1 2 329.366 3.509 20 0 EHADLO CCc1[nH]c(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1C(=O)OC ZINC000894383382 1021512046 /nfs/dbraw/zinc/51/20/46/1021512046.db2.gz HTJNTAOPKIYRFZ-LJQANCHMSA-N 1 2 338.407 3.836 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)cc1F ZINC000518780818 1021538580 /nfs/dbraw/zinc/53/85/80/1021538580.db2.gz ZKIAGRYZMHPCMJ-UHFFFAOYSA-N 1 2 327.403 3.895 20 0 EHADLO Fc1cccc2c1OCC[C@H]2[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000437097165 1021549765 /nfs/dbraw/zinc/54/97/65/1021549765.db2.gz NNDOYZKHQSHXIM-MOPGFXCFSA-N 1 2 335.382 3.819 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3ncc(CSC)s3)CC2)nc1 ZINC000593644735 1032994385 /nfs/dbraw/zinc/99/43/85/1032994385.db2.gz RTIQCUOEWHTMBX-UHFFFAOYSA-N 1 2 349.525 3.789 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C1CC1)C1CCCCC1 ZINC000684405633 1021644833 /nfs/dbraw/zinc/64/48/33/1021644833.db2.gz MTYSBIVCGQOFJY-UHFFFAOYSA-N 1 2 347.409 3.947 20 0 EHADLO Cc1ccc(OCCNc2cc(N3CCCCC3)nc[nH+]2)c(C)c1 ZINC000518902167 1021672125 /nfs/dbraw/zinc/67/21/25/1021672125.db2.gz SVVPLITXCLBHCY-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO Cc1ccc(OCCNc2cc(N3CCCCC3)[nH+]cn2)c(C)c1 ZINC000518902167 1021672134 /nfs/dbraw/zinc/67/21/34/1021672134.db2.gz SVVPLITXCLBHCY-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO Cc1cccc(NC2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC000933421812 1021710366 /nfs/dbraw/zinc/71/03/66/1021710366.db2.gz XHVKFNKYLXSHFW-UHFFFAOYSA-N 1 2 334.423 3.588 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1(C(F)F)CC1 ZINC000843572094 1021728723 /nfs/dbraw/zinc/72/87/23/1021728723.db2.gz CGWVLQOTLJTUMD-UHFFFAOYSA-N 1 2 329.350 3.586 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCOc3ccc(F)cc3C2)cc1OC ZINC000426504912 1021739943 /nfs/dbraw/zinc/73/99/43/1021739943.db2.gz QRCSLRXPVAMCFV-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCOc3ccc(F)cc3C2)cc1OC ZINC000426504912 1021739958 /nfs/dbraw/zinc/73/99/58/1021739958.db2.gz QRCSLRXPVAMCFV-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000607130892 1033006235 /nfs/dbraw/zinc/00/62/35/1033006235.db2.gz NLZFNAFCBLSWEY-NEWSRXKRSA-N 1 2 346.540 3.862 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(C)c1 ZINC000894389286 1021759254 /nfs/dbraw/zinc/75/92/54/1021759254.db2.gz OXSUNJLAOQEJGV-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(C)c1 ZINC000894389286 1021759264 /nfs/dbraw/zinc/75/92/64/1021759264.db2.gz OXSUNJLAOQEJGV-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1Cc2ccc(F)cc21 ZINC000684421738 1021766363 /nfs/dbraw/zinc/76/63/63/1021766363.db2.gz IGIKBPLXZPZFIM-HNNXBMFYSA-N 1 2 341.773 3.943 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C)c(C)c1 ZINC000440807994 1021800883 /nfs/dbraw/zinc/80/08/83/1021800883.db2.gz WTXDHRDOKQQWNA-QGZVFWFLSA-N 1 2 328.460 3.587 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080913009 1021864031 /nfs/dbraw/zinc/86/40/31/1021864031.db2.gz JIOSWVNZMJFGTO-AWEZNQCLSA-N 1 2 335.879 3.562 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080913009 1021864042 /nfs/dbraw/zinc/86/40/42/1021864042.db2.gz JIOSWVNZMJFGTO-AWEZNQCLSA-N 1 2 335.879 3.562 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504745 1021895055 /nfs/dbraw/zinc/89/50/55/1021895055.db2.gz VVGWCQWESSBEKM-IFXJQAMLSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504745 1021895073 /nfs/dbraw/zinc/89/50/73/1021895073.db2.gz VVGWCQWESSBEKM-IFXJQAMLSA-N 1 2 349.475 3.506 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCCc3oc(C)nc32)cc1OC ZINC000925065082 1021901880 /nfs/dbraw/zinc/90/18/80/1021901880.db2.gz KVWKWIXFRVETOK-HZMBPMFUSA-N 1 2 334.391 3.868 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2ccncc2OCC(F)(F)F)s1 ZINC000341453736 1021936152 /nfs/dbraw/zinc/93/61/52/1021936152.db2.gz APKNMHZCJAKNOC-UHFFFAOYSA-N 1 2 345.390 3.892 20 0 EHADLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000519231012 1021949254 /nfs/dbraw/zinc/94/92/54/1021949254.db2.gz YSVUWHFIQPEDDN-LLVKDONJSA-N 1 2 345.834 3.709 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440281246 1022064377 /nfs/dbraw/zinc/06/43/77/1022064377.db2.gz KCSMFKRVBBMQJU-HNNXBMFYSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000441240522 1022075971 /nfs/dbraw/zinc/07/59/71/1022075971.db2.gz XNVBHNXHBSPVBJ-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000441240522 1022075992 /nfs/dbraw/zinc/07/59/92/1022075992.db2.gz XNVBHNXHBSPVBJ-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO C[C@H](CC(=O)N1CC2(CCCC2)c2cccc(F)c21)n1cc[nH+]c1 ZINC000517153380 1022079700 /nfs/dbraw/zinc/07/97/00/1022079700.db2.gz CPVVKEDQVHLROQ-CQSZACIVSA-N 1 2 327.403 3.832 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000519423807 1022082883 /nfs/dbraw/zinc/08/28/83/1022082883.db2.gz PLPSVGJNKKSPLM-IBGZPJMESA-N 1 2 333.435 3.835 20 0 EHADLO Cc1ccc(CNc2[nH+]cnc3c2cnn3C)c(OCCC(C)C)c1 ZINC000506116835 1022087142 /nfs/dbraw/zinc/08/71/42/1022087142.db2.gz BPCVJMAOOUSKBA-UHFFFAOYSA-N 1 2 339.443 3.709 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)no1 ZINC000441251408 1022089690 /nfs/dbraw/zinc/08/96/90/1022089690.db2.gz SMYIHNBHLRTJOK-UHFFFAOYSA-N 1 2 343.349 3.555 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccccc3)n2)CC1 ZINC000036652239 1022109792 /nfs/dbraw/zinc/10/97/92/1022109792.db2.gz PSJDYKUFPFJDCK-UHFFFAOYSA-N 1 2 343.496 3.946 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C)CCC3)n2)C1 ZINC000426653909 1022152263 /nfs/dbraw/zinc/15/22/63/1022152263.db2.gz GUUYEHUKXQVKDC-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C)CCC3)n2)C1 ZINC000426653909 1022152277 /nfs/dbraw/zinc/15/22/77/1022152277.db2.gz GUUYEHUKXQVKDC-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)c(C)c1 ZINC000517242638 1022163686 /nfs/dbraw/zinc/16/36/86/1022163686.db2.gz GCTGVMIYQXRJDB-MRXNPFEDSA-N 1 2 334.423 3.973 20 0 EHADLO Cc1ccc([C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C2CC2)cc1 ZINC000506141453 1022180038 /nfs/dbraw/zinc/18/00/38/1022180038.db2.gz WXGFOPJBLRWUSB-OZOXKJRCSA-N 1 2 349.478 3.730 20 0 EHADLO CCCC[C@@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000441362998 1022186753 /nfs/dbraw/zinc/18/67/53/1022186753.db2.gz INUBRHMPTMWTNK-MOPGFXCFSA-N 1 2 343.471 3.563 20 0 EHADLO c1cc(CN2CC[NH+](Cc3ccccc3Oc3ccccc3)CC2)no1 ZINC000441351443 1022213438 /nfs/dbraw/zinc/21/34/38/1022213438.db2.gz JAWKQCXDTJXIIB-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000425929338 1022236256 /nfs/dbraw/zinc/23/62/56/1022236256.db2.gz ZXCDLCGPRXKZRM-APWZRJJASA-N 1 2 348.450 3.730 20 0 EHADLO CC1(C)C[N@H+](CC(=O)NCCc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000581902246 1022239151 /nfs/dbraw/zinc/23/91/51/1022239151.db2.gz IHIORUOSMZOEKR-GOSISDBHSA-N 1 2 346.471 3.629 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)NCCc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000581902246 1022239159 /nfs/dbraw/zinc/23/91/59/1022239159.db2.gz IHIORUOSMZOEKR-GOSISDBHSA-N 1 2 346.471 3.629 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)c(C)c1 ZINC000437889595 1022248896 /nfs/dbraw/zinc/24/88/96/1022248896.db2.gz CGPISEQXVWCGRF-KRWDZBQOSA-N 1 2 325.456 3.774 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)c(C)c1 ZINC000437889595 1022248910 /nfs/dbraw/zinc/24/89/10/1022248910.db2.gz CGPISEQXVWCGRF-KRWDZBQOSA-N 1 2 325.456 3.774 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC(C)(C)C2CC2)c1C ZINC000458859332 1022254413 /nfs/dbraw/zinc/25/44/13/1022254413.db2.gz IABRCXIZNOBOQS-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nn(-c3ccccc3)c3c2CCC3)on1 ZINC000143358558 1033043589 /nfs/dbraw/zinc/04/35/89/1033043589.db2.gz MRHYANAQHHENOF-FQEVSTJZSA-N 1 2 348.450 3.995 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nn(-c3ccccc3)c3c2CCC3)on1 ZINC000143358558 1033043599 /nfs/dbraw/zinc/04/35/99/1033043599.db2.gz MRHYANAQHHENOF-FQEVSTJZSA-N 1 2 348.450 3.995 20 0 EHADLO COc1c(F)cc(F)cc1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC001143567694 1022286289 /nfs/dbraw/zinc/28/62/89/1022286289.db2.gz GKIOXKGUADPAFZ-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1OC ZINC000923773008 1022290052 /nfs/dbraw/zinc/29/00/52/1022290052.db2.gz HHHBMLDCOQWNRU-CQSZACIVSA-N 1 2 342.399 3.586 20 0 EHADLO CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000112743875 1022328333 /nfs/dbraw/zinc/32/83/33/1022328333.db2.gz KFAOBCPGJMMOAV-LJQANCHMSA-N 1 2 340.471 3.922 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000895017843 1022379990 /nfs/dbraw/zinc/37/99/90/1022379990.db2.gz ZKUKWSFGVWNNKZ-AWEZNQCLSA-N 1 2 339.867 3.606 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000895017843 1022380006 /nfs/dbraw/zinc/38/00/06/1022380006.db2.gz ZKUKWSFGVWNNKZ-AWEZNQCLSA-N 1 2 339.867 3.606 20 0 EHADLO c1cn(C2CC2)c(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n1 ZINC000895010118 1022380316 /nfs/dbraw/zinc/38/03/16/1022380316.db2.gz PEKSTDVGUMQKMA-UHFFFAOYSA-N 1 2 342.512 3.933 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528905975 1033049930 /nfs/dbraw/zinc/04/99/30/1033049930.db2.gz WWBZSDPQKSMWRH-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cocc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528905975 1033049936 /nfs/dbraw/zinc/04/99/36/1033049936.db2.gz WWBZSDPQKSMWRH-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1nnc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000341582384 1022389483 /nfs/dbraw/zinc/38/94/83/1022389483.db2.gz BQTYNWIXWZNHGQ-HNNXBMFYSA-N 1 2 336.233 3.772 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000110983457 1022396556 /nfs/dbraw/zinc/39/65/56/1022396556.db2.gz UFJALBUIKRHHRT-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](c3ncc(C)s3)C3CC3)ccc2[nH+]1 ZINC000438114086 1022398829 /nfs/dbraw/zinc/39/88/29/1022398829.db2.gz HMQPTSVHDQLVIY-HNNXBMFYSA-N 1 2 341.440 3.680 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438149622 1022432418 /nfs/dbraw/zinc/43/24/18/1022432418.db2.gz CLCJOWXJTUBNEC-QEEYODRMSA-N 1 2 347.418 3.555 20 0 EHADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000517556435 1022441739 /nfs/dbraw/zinc/44/17/39/1022441739.db2.gz OGKYTJSTVYGGAW-HIFRSBDPSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000517556435 1022441749 /nfs/dbraw/zinc/44/17/49/1022441749.db2.gz OGKYTJSTVYGGAW-HIFRSBDPSA-N 1 2 334.529 3.675 20 0 EHADLO CCCC[N@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC1 ZINC000341591917 1022448926 /nfs/dbraw/zinc/44/89/26/1022448926.db2.gz XQDHVFBCOWITEZ-UHFFFAOYSA-N 1 2 348.468 3.510 20 0 EHADLO CCCC[N@@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC1 ZINC000341591917 1022448931 /nfs/dbraw/zinc/44/89/31/1022448931.db2.gz XQDHVFBCOWITEZ-UHFFFAOYSA-N 1 2 348.468 3.510 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000086235826 1022503773 /nfs/dbraw/zinc/50/37/73/1022503773.db2.gz HTOLFAYMUYITFA-CQSZACIVSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000086235826 1022503780 /nfs/dbraw/zinc/50/37/80/1022503780.db2.gz HTOLFAYMUYITFA-CQSZACIVSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827902 1022510509 /nfs/dbraw/zinc/51/05/09/1022510509.db2.gz DKJXLSMXALHTNV-GQIGUUNPSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827902 1022510519 /nfs/dbraw/zinc/51/05/19/1022510519.db2.gz DKJXLSMXALHTNV-GQIGUUNPSA-N 1 2 349.478 3.831 20 0 EHADLO COc1ccc(CCC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000292374169 1022520960 /nfs/dbraw/zinc/52/09/60/1022520960.db2.gz ZIBBWFUPOPLXHX-GOSISDBHSA-N 1 2 328.460 3.657 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000438299446 1022539918 /nfs/dbraw/zinc/53/99/18/1022539918.db2.gz MAJIGFXWIMSOPN-HNAYVOBHSA-N 1 2 329.415 3.612 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2csc(Br)c2)c(C2CC2)n1 ZINC000891752755 1022547570 /nfs/dbraw/zinc/54/75/70/1022547570.db2.gz OIBRBLJADNILRW-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2csc(Br)c2)c(C2CC2)n1 ZINC000891752755 1022547580 /nfs/dbraw/zinc/54/75/80/1022547580.db2.gz OIBRBLJADNILRW-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528914941 1033063990 /nfs/dbraw/zinc/06/39/90/1033063990.db2.gz BSQTWHQLULKCJZ-WBVHZDCISA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528914941 1033064008 /nfs/dbraw/zinc/06/40/08/1033064008.db2.gz BSQTWHQLULKCJZ-WBVHZDCISA-N 1 2 347.846 3.627 20 0 EHADLO O=C(Nc1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1)C1CC1 ZINC000438313854 1022552186 /nfs/dbraw/zinc/55/21/86/1022552186.db2.gz WIPVEOIWZSPRDH-UHFFFAOYSA-N 1 2 346.434 3.892 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C)CCCCC3)CC2)c1 ZINC000548373199 1022568440 /nfs/dbraw/zinc/56/84/40/1022568440.db2.gz WXRHKRJCIJJRHT-QGZVFWFLSA-N 1 2 344.499 3.871 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC000438365905 1022597995 /nfs/dbraw/zinc/59/79/95/1022597995.db2.gz DBVPFLJQNZTRBU-UHFFFAOYSA-N 1 2 338.480 3.563 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCc2ncsc2C1 ZINC000438365905 1022598003 /nfs/dbraw/zinc/59/80/03/1022598003.db2.gz DBVPFLJQNZTRBU-UHFFFAOYSA-N 1 2 338.480 3.563 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C)[C@@H](C)O1 ZINC000438370551 1022599334 /nfs/dbraw/zinc/59/93/34/1022599334.db2.gz CUHNBDIOVDHRCV-FRRDWIJNSA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C)[C@@H](C)O1 ZINC000438370551 1022599345 /nfs/dbraw/zinc/59/93/45/1022599345.db2.gz CUHNBDIOVDHRCV-FRRDWIJNSA-N 1 2 349.272 3.995 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC000510505568 1022611114 /nfs/dbraw/zinc/61/11/14/1022611114.db2.gz YHATTZWNHPMAFI-KRWDZBQOSA-N 1 2 333.435 3.850 20 0 EHADLO CCn1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1 ZINC000891770720 1022613558 /nfs/dbraw/zinc/61/35/58/1022613558.db2.gz MSPMLFGRZNPCAY-VXGBXAGGSA-N 1 2 343.315 3.774 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000550174123 1022642645 /nfs/dbraw/zinc/64/26/45/1022642645.db2.gz CAPJPHBIKIYSDD-APWZRJJASA-N 1 2 342.458 3.977 20 0 EHADLO Cc1cc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000894634721 1022647202 /nfs/dbraw/zinc/64/72/02/1022647202.db2.gz NVICQJVDBXCAFQ-DGCLKSJQSA-N 1 2 329.366 3.599 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N(C)Cc3nnc(C)s3)c2c1 ZINC000894638120 1022651085 /nfs/dbraw/zinc/65/10/85/1022651085.db2.gz DHUHOUQQSFIWEW-UHFFFAOYSA-N 1 2 334.832 3.693 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3CCCC3)n2)O1 ZINC000665008943 1022686700 /nfs/dbraw/zinc/68/67/00/1022686700.db2.gz ZLDVVAGDHFIECJ-RHSMWYFYSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3CCCC3)n2)O1 ZINC000665008943 1022686706 /nfs/dbraw/zinc/68/67/06/1022686706.db2.gz ZLDVVAGDHFIECJ-RHSMWYFYSA-N 1 2 327.428 3.689 20 0 EHADLO CCCc1csc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000426024421 1022697679 /nfs/dbraw/zinc/69/76/79/1022697679.db2.gz WOAKBVGIYAWPOT-UHFFFAOYSA-N 1 2 333.476 3.553 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3CC4(CC4)C3)n2)O1 ZINC000665011315 1022706788 /nfs/dbraw/zinc/70/67/88/1022706788.db2.gz CICJOUZDYMGMJY-PBHICJAKSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3CC4(CC4)C3)n2)O1 ZINC000665011315 1022706802 /nfs/dbraw/zinc/70/68/02/1022706802.db2.gz CICJOUZDYMGMJY-PBHICJAKSA-N 1 2 339.439 3.689 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000894694123 1022747053 /nfs/dbraw/zinc/74/70/53/1022747053.db2.gz BPOJTKBJBRDFMQ-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000894694123 1022747040 /nfs/dbraw/zinc/74/70/40/1022747040.db2.gz BPOJTKBJBRDFMQ-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000088505483 1022779446 /nfs/dbraw/zinc/77/94/46/1022779446.db2.gz CRBAXGHTWWEADG-HNNXBMFYSA-N 1 2 331.437 3.880 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000088505483 1022779454 /nfs/dbraw/zinc/77/94/54/1022779454.db2.gz CRBAXGHTWWEADG-HNNXBMFYSA-N 1 2 331.437 3.880 20 0 EHADLO CCOc1cc(F)c(C[N@H+](C)CCCC(=O)c2cccnc2)c(F)c1 ZINC001143576004 1022790872 /nfs/dbraw/zinc/79/08/72/1022790872.db2.gz SWIKURLROOMKQF-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO CCOc1cc(F)c(C[N@@H+](C)CCCC(=O)c2cccnc2)c(F)c1 ZINC001143576004 1022790885 /nfs/dbraw/zinc/79/08/85/1022790885.db2.gz SWIKURLROOMKQF-UHFFFAOYSA-N 1 2 348.393 3.853 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000891808124 1022870272 /nfs/dbraw/zinc/87/02/72/1022870272.db2.gz CWKDSKMKVJQMFX-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000891808124 1022870290 /nfs/dbraw/zinc/87/02/90/1022870290.db2.gz CWKDSKMKVJQMFX-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894773538 1022870317 /nfs/dbraw/zinc/87/03/17/1022870317.db2.gz WMFSRPQYPJLFGZ-STQMWFEESA-N 1 2 333.455 3.585 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894773533 1022870412 /nfs/dbraw/zinc/87/04/12/1022870412.db2.gz WMFSRPQYPJLFGZ-CHWSQXEVSA-N 1 2 333.455 3.585 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)cc1OC ZINC000341663255 1022916097 /nfs/dbraw/zinc/91/60/97/1022916097.db2.gz WYVOQKWXHYOISE-STQMWFEESA-N 1 2 333.432 3.841 20 0 EHADLO CSCc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189483312 1023038085 /nfs/dbraw/zinc/03/80/85/1023038085.db2.gz GYUJZCNUOQTDPR-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO CSc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000438854409 1023080782 /nfs/dbraw/zinc/08/07/82/1023080782.db2.gz WENYFGFBGNUTRR-UHFFFAOYSA-N 1 2 335.420 3.854 20 0 EHADLO CSc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000438854409 1023080794 /nfs/dbraw/zinc/08/07/94/1023080794.db2.gz WENYFGFBGNUTRR-UHFFFAOYSA-N 1 2 335.420 3.854 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@@H]1C ZINC000431005313 1023099273 /nfs/dbraw/zinc/09/92/73/1023099273.db2.gz KOTJCSCZKZKLFB-CWQOZTLDSA-N 1 2 332.492 3.548 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000427081867 1023204475 /nfs/dbraw/zinc/20/44/75/1023204475.db2.gz UJRWKZIEAQXICF-IRXDYDNUSA-N 1 2 330.447 3.777 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000438998385 1023210256 /nfs/dbraw/zinc/21/02/56/1023210256.db2.gz IRHQFGUYGIOKQC-LAUBAEHRSA-N 1 2 329.403 3.715 20 0 EHADLO Cc1ccccc1-c1cnc(CN(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000579426962 1023227984 /nfs/dbraw/zinc/22/79/84/1023227984.db2.gz DTGZFQGTNUHJCE-UHFFFAOYSA-N 1 2 336.439 3.815 20 0 EHADLO CN(C)c1ccc(Nc2ccc(F)c(C(=O)N3CCCCC3)c2)c[nH+]1 ZINC001211866138 1023241813 /nfs/dbraw/zinc/24/18/13/1023241813.db2.gz IODQOEFHSXRTRA-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000507339862 1023256111 /nfs/dbraw/zinc/25/61/11/1023256111.db2.gz NNKLIWBZFUOTRA-QFBILLFUSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000507339862 1023256117 /nfs/dbraw/zinc/25/61/17/1023256117.db2.gz NNKLIWBZFUOTRA-QFBILLFUSA-N 1 2 343.398 3.538 20 0 EHADLO Cc1noc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000276872327 1023271006 /nfs/dbraw/zinc/27/10/06/1023271006.db2.gz YEOVIIVTRFIKCG-HNNXBMFYSA-N 1 2 338.249 3.802 20 0 EHADLO CCc1cc(OCC(=O)N(C)Cc2cccs2)c2ccccc2[nH+]1 ZINC000536425843 1023276057 /nfs/dbraw/zinc/27/60/57/1023276057.db2.gz HBVTVUCMSRFWDO-UHFFFAOYSA-N 1 2 340.448 3.896 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CC(C)(C)O1 ZINC000119516547 1033119197 /nfs/dbraw/zinc/11/91/97/1033119197.db2.gz LOKXEFNUINSMOO-CYBMUJFWSA-N 1 2 333.863 3.740 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CC(C)(C)O1 ZINC000119516547 1033119202 /nfs/dbraw/zinc/11/92/02/1033119202.db2.gz LOKXEFNUINSMOO-CYBMUJFWSA-N 1 2 333.863 3.740 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@H]4CCc5ccccc5C4)no3)c2)c[nH+]1 ZINC000685318762 1033120381 /nfs/dbraw/zinc/12/03/81/1033120381.db2.gz KYDIMMOELKWHKW-INIZCTEOSA-N 1 2 343.390 3.590 20 0 EHADLO Cc1nc2sc3c(c2c(NCCn2cc[nH+]c2)n1)CCCCC3 ZINC000025347391 1023367523 /nfs/dbraw/zinc/36/75/23/1023367523.db2.gz WSRAHUFYTWNKCV-UHFFFAOYSA-N 1 2 327.457 3.577 20 0 EHADLO Cc1ccc(C[S@@](=O)CCc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000548465678 1023386207 /nfs/dbraw/zinc/38/62/07/1023386207.db2.gz YWXDOBSSLVGOQA-NRFANRHFSA-N 1 2 325.836 3.982 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C2CC2)cc1 ZINC000581993245 1023443696 /nfs/dbraw/zinc/44/36/96/1023443696.db2.gz GDJPYJVLMOKJCL-HNNXBMFYSA-N 1 2 338.455 3.868 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449401402 1023448050 /nfs/dbraw/zinc/44/80/50/1023448050.db2.gz MSPRSTPWYDECIF-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4ccc(Cl)cc4C3)ccc2[nH+]1 ZINC000341863014 1023483773 /nfs/dbraw/zinc/48/37/73/1023483773.db2.gz UUYSZNJDPKGANY-UHFFFAOYSA-N 1 2 340.814 3.886 20 0 EHADLO COc1ccccc1CC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891945815 1023485202 /nfs/dbraw/zinc/48/52/02/1023485202.db2.gz YBBPUBPCKCGIHH-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO COc1ccccc1CC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891945815 1023485209 /nfs/dbraw/zinc/48/52/09/1023485209.db2.gz YBBPUBPCKCGIHH-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000341873816 1023505235 /nfs/dbraw/zinc/50/52/35/1023505235.db2.gz GVBIEXRHPHYEMU-FRFSOERESA-N 1 2 347.484 3.751 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000341873819 1023505662 /nfs/dbraw/zinc/50/56/62/1023505662.db2.gz GVBIEXRHPHYEMU-UKPHBRMFSA-N 1 2 347.484 3.751 20 0 EHADLO CCCOc1c(C[NH2+]Cc2ncccc2OC)cccc1OCC ZINC000449743379 1033145972 /nfs/dbraw/zinc/14/59/72/1033145972.db2.gz XDICPICNSPCXNO-UHFFFAOYSA-N 1 2 330.428 3.568 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Br)cc2Cl)c(C)c[nH+]1 ZINC000535748633 1023604593 /nfs/dbraw/zinc/60/45/93/1023604593.db2.gz OUUFASXFOLYJFB-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)c(C)c[nH+]1 ZINC000535748476 1023605168 /nfs/dbraw/zinc/60/51/68/1023605168.db2.gz IKUJEQUEOGVUHF-UHFFFAOYSA-N 1 2 335.432 3.919 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c(C)c[nH+]1 ZINC000535748853 1023605698 /nfs/dbraw/zinc/60/56/98/1023605698.db2.gz MZESUMVEGFQFRN-LLVKDONJSA-N 1 2 339.222 3.833 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000761043058 1033147868 /nfs/dbraw/zinc/14/78/68/1033147868.db2.gz SWOJMEXLAJSUAT-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000761043058 1033147872 /nfs/dbraw/zinc/14/78/72/1033147872.db2.gz SWOJMEXLAJSUAT-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1cccs1 ZINC000535792901 1023640137 /nfs/dbraw/zinc/64/01/37/1023640137.db2.gz SGYIDSYAPRLIBU-STQMWFEESA-N 1 2 332.444 3.511 20 0 EHADLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1cccs1 ZINC000535792901 1023640141 /nfs/dbraw/zinc/64/01/41/1023640141.db2.gz SGYIDSYAPRLIBU-STQMWFEESA-N 1 2 332.444 3.511 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000341915697 1023674951 /nfs/dbraw/zinc/67/49/51/1023674951.db2.gz XBORDBZZKALVIT-VSRDTVRMSA-N 1 2 341.476 3.768 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000341915697 1023674954 /nfs/dbraw/zinc/67/49/54/1023674954.db2.gz XBORDBZZKALVIT-VSRDTVRMSA-N 1 2 341.476 3.768 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144185868 1023684270 /nfs/dbraw/zinc/68/42/70/1023684270.db2.gz KTRVWQIUGFMMQJ-UHFFFAOYSA-N 1 2 348.381 3.731 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761043521 1033154351 /nfs/dbraw/zinc/15/43/51/1033154351.db2.gz WOPFLTHBTVSSJC-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761043521 1033154363 /nfs/dbraw/zinc/15/43/63/1033154363.db2.gz WOPFLTHBTVSSJC-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 ZINC000341981944 1023732465 /nfs/dbraw/zinc/73/24/65/1023732465.db2.gz GCKRMUQBXCLSEJ-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 ZINC000341981944 1023732469 /nfs/dbraw/zinc/73/24/69/1023732469.db2.gz GCKRMUQBXCLSEJ-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO O=S(=O)(CCC[NH+]1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC000341980789 1023732821 /nfs/dbraw/zinc/73/28/21/1023732821.db2.gz BJLDSEQJXXIGHH-UHFFFAOYSA-N 1 2 349.418 3.515 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1cccc(F)c1 ZINC000277069434 1023735728 /nfs/dbraw/zinc/73/57/28/1023735728.db2.gz ADJKOVQTJROEJS-MDZDMXLPSA-N 1 2 329.419 3.537 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341988624 1023742075 /nfs/dbraw/zinc/74/20/75/1023742075.db2.gz JFTCNHFUJUJSNX-LLVKDONJSA-N 1 2 340.349 3.857 20 0 EHADLO O=S(=O)(CCC[N@@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000341990088 1023744193 /nfs/dbraw/zinc/74/41/93/1023744193.db2.gz LRKGYFVJBFIZKU-UHFFFAOYSA-N 1 2 341.476 3.640 20 0 EHADLO O=S(=O)(CCC[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000341990088 1023744200 /nfs/dbraw/zinc/74/42/00/1023744200.db2.gz LRKGYFVJBFIZKU-UHFFFAOYSA-N 1 2 341.476 3.640 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(c3ccccc3F)CC2)n1 ZINC000602786622 1033159139 /nfs/dbraw/zinc/15/91/39/1033159139.db2.gz ZNYFSBPRZCSLDI-GFCCVEGCSA-N 1 2 332.375 3.541 20 0 EHADLO FCC[C@H]1CCCN(c2cc(N3CCC[C@@H](CCF)C3)nc[nH+]2)C1 ZINC000664414829 1023956511 /nfs/dbraw/zinc/95/65/11/1023956511.db2.gz VEUQBIQKVDCSIG-IYBDPMFKSA-N 1 2 338.446 3.629 20 0 EHADLO FCC[C@H]1CCCN(c2cc(N3CCC[C@@H](CCF)C3)[nH+]cn2)C1 ZINC000664414829 1023956526 /nfs/dbraw/zinc/95/65/26/1023956526.db2.gz VEUQBIQKVDCSIG-IYBDPMFKSA-N 1 2 338.446 3.629 20 0 EHADLO CC[C@@H](C)Oc1cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)nc(C)n1 ZINC000895197478 1023958162 /nfs/dbraw/zinc/95/81/62/1023958162.db2.gz SNOQLQPYJAMGCU-IAQYHMDHSA-N 1 2 329.448 3.644 20 0 EHADLO Cc1c(Br)cccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000895204273 1023968345 /nfs/dbraw/zinc/96/83/45/1023968345.db2.gz ADBFZNBIXMNFND-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO C=Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000277175450 1024016649 /nfs/dbraw/zinc/01/66/49/1024016649.db2.gz ASLDEBAQHLOXNF-MRXNPFEDSA-N 1 2 336.435 3.975 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000367086865 1024017740 /nfs/dbraw/zinc/01/77/40/1024017740.db2.gz NJQFVDPUMUDBBC-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(CCc1ccc(F)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513990288 1024020364 /nfs/dbraw/zinc/02/03/64/1024020364.db2.gz UONVNHVWIXRBRG-SFHVURJKSA-N 1 2 346.833 3.585 20 0 EHADLO Cc1noc(C[C@@H]2CCCN(c3[nH+]ccc4cc(F)ccc43)C2)n1 ZINC000896847476 1024037157 /nfs/dbraw/zinc/03/71/57/1024037157.db2.gz UZSXPURHBOQMPN-ZDUSSCGKSA-N 1 2 326.375 3.524 20 0 EHADLO CC(C)CCSCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513998490 1024041980 /nfs/dbraw/zinc/04/19/80/1024041980.db2.gz CMDLSJAIYKLNSE-MRXNPFEDSA-N 1 2 340.920 3.592 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000514000766 1024044580 /nfs/dbraw/zinc/04/45/80/1024044580.db2.gz AXSGNBVAWVCHTN-IBGZPJMESA-N 1 2 342.870 3.672 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000151100692 1024048395 /nfs/dbraw/zinc/04/83/95/1024048395.db2.gz MUPYPMOWVANQNT-HNNXBMFYSA-N 1 2 349.276 3.898 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000522230082 1024060632 /nfs/dbraw/zinc/06/06/32/1024060632.db2.gz FZMJZTVEKPBDMP-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO Cc1cc(CNc2ccc(C)c(C(=O)N(C)C)c2)c2c([nH+]1)CCCC2 ZINC000892388356 1033185166 /nfs/dbraw/zinc/18/51/66/1033185166.db2.gz CXNBSRDVYIBSPR-UHFFFAOYSA-N 1 2 337.467 3.891 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151239775 1024078171 /nfs/dbraw/zinc/07/81/71/1024078171.db2.gz DOIDBHJWNXOSBV-GFCCVEGCSA-N 1 2 345.493 3.563 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000151475011 1024114556 /nfs/dbraw/zinc/11/45/56/1024114556.db2.gz WOXJZMQOMNNOMS-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@H](C)CC2)c1C ZINC000443553811 1024134384 /nfs/dbraw/zinc/13/43/84/1024134384.db2.gz QWIJFMVZVJQRSS-XJKSGUPXSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000167478480 1024143508 /nfs/dbraw/zinc/14/35/08/1024143508.db2.gz CMGLTHZMAXNPNA-HXUWFJFHSA-N 1 2 346.434 3.612 20 0 EHADLO C[C@H](CC(=O)NC(Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC000520588803 1024166583 /nfs/dbraw/zinc/16/65/83/1024166583.db2.gz YOQJAYBOLFTQRJ-GOSISDBHSA-N 1 2 347.462 3.804 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1[C@H]1CCCO1 ZINC000329782619 1024193166 /nfs/dbraw/zinc/19/31/66/1024193166.db2.gz OAIGMNMUHFCLJV-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1[C@H]1CCCO1 ZINC000329782619 1024193173 /nfs/dbraw/zinc/19/31/73/1024193173.db2.gz OAIGMNMUHFCLJV-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329816076 1024207415 /nfs/dbraw/zinc/20/74/15/1024207415.db2.gz FGXXZZPFPITSCU-DYEKYZERSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329816076 1024207427 /nfs/dbraw/zinc/20/74/27/1024207427.db2.gz FGXXZZPFPITSCU-DYEKYZERSA-N 1 2 333.457 3.749 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000329850649 1024222220 /nfs/dbraw/zinc/22/22/20/1024222220.db2.gz QGTCPXXPXZSZPH-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000329850649 1024222235 /nfs/dbraw/zinc/22/22/35/1024222235.db2.gz QGTCPXXPXZSZPH-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000783543476 1024232470 /nfs/dbraw/zinc/23/24/70/1024232470.db2.gz RTHFHXFLFNAQKS-KBPBESRZSA-N 1 2 339.222 3.927 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCO[C@H](c3ccsc3)C2)o1 ZINC000648011193 1024236195 /nfs/dbraw/zinc/23/61/95/1024236195.db2.gz ITEIWRZEGJNART-KRWDZBQOSA-N 1 2 343.452 3.624 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCO[C@H](c3ccsc3)C2)o1 ZINC000648011193 1024236208 /nfs/dbraw/zinc/23/62/08/1024236208.db2.gz ITEIWRZEGJNART-KRWDZBQOSA-N 1 2 343.452 3.624 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(C)s1 ZINC000443615783 1024241281 /nfs/dbraw/zinc/24/12/81/1024241281.db2.gz PAEVKAOOYUSXRF-KRWDZBQOSA-N 1 2 343.496 3.544 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(C)s1 ZINC000443615783 1024241289 /nfs/dbraw/zinc/24/12/89/1024241289.db2.gz PAEVKAOOYUSXRF-KRWDZBQOSA-N 1 2 343.496 3.544 20 0 EHADLO COC(=O)CCC[N@H+](Cc1nc(C)sc1C)Cc1ccccc1 ZINC000443615755 1024243341 /nfs/dbraw/zinc/24/33/41/1024243341.db2.gz OTOUSVFMFQYVEC-UHFFFAOYSA-N 1 2 332.469 3.715 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1nc(C)sc1C)Cc1ccccc1 ZINC000443615755 1024243358 /nfs/dbraw/zinc/24/33/58/1024243358.db2.gz OTOUSVFMFQYVEC-UHFFFAOYSA-N 1 2 332.469 3.715 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCn1cc[nH+]c1 ZINC000342150347 1024248455 /nfs/dbraw/zinc/24/84/55/1024248455.db2.gz QLDFRDXGPCMMTL-UHFFFAOYSA-N 1 2 331.847 3.922 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505461066 1024266052 /nfs/dbraw/zinc/26/60/52/1024266052.db2.gz PPMLPCAQNHMLAQ-QGZVFWFLSA-N 1 2 346.471 3.691 20 0 EHADLO Brc1ncc(Nc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC001216267081 1024291754 /nfs/dbraw/zinc/29/17/54/1024291754.db2.gz IBSHLPVKLYMJMY-UHFFFAOYSA-N 1 2 335.230 3.894 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505467625 1024294664 /nfs/dbraw/zinc/29/46/64/1024294664.db2.gz HHQWWASDWLUVOD-MGPUTAFESA-N 1 2 340.442 3.665 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000897835487 1033200474 /nfs/dbraw/zinc/20/04/74/1033200474.db2.gz FEPDNHKGCZXDPF-SFHVURJKSA-N 1 2 325.456 3.505 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1C ZINC000505469567 1024301721 /nfs/dbraw/zinc/30/17/21/1024301721.db2.gz RGOWLAFHOWRPFB-SFHVURJKSA-N 1 2 346.833 3.883 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000505476302 1024317842 /nfs/dbraw/zinc/31/78/42/1024317842.db2.gz KDNJVSGSEJBRMQ-HXUWFJFHSA-N 1 2 340.442 3.548 20 0 EHADLO O=C(CCc1cccc(Cl)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522356810 1024332461 /nfs/dbraw/zinc/33/24/61/1024332461.db2.gz HUAAOGHRYMTJIE-UHFFFAOYSA-N 1 2 339.826 3.775 20 0 EHADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(N2CCCC2=O)c1 ZINC000727468117 1024354910 /nfs/dbraw/zinc/35/49/10/1024354910.db2.gz PCHKXEATVYBXBB-ZDUSSCGKSA-N 1 2 325.412 3.530 20 0 EHADLO FC(F)(F)c1cnc(N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000895351051 1024362957 /nfs/dbraw/zinc/36/29/57/1024362957.db2.gz CADLJNQQLNIKJX-UHFFFAOYSA-N 1 2 328.363 3.638 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2NCCC3)C[C@H](CC(F)(F)F)O1 ZINC000895353068 1024367168 /nfs/dbraw/zinc/36/71/68/1024367168.db2.gz PYKIVEMRPXZUET-DOMZBBRYSA-N 1 2 328.378 3.586 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2NCCC3)C[C@H](CC(F)(F)F)O1 ZINC000895353068 1024367182 /nfs/dbraw/zinc/36/71/82/1024367182.db2.gz PYKIVEMRPXZUET-DOMZBBRYSA-N 1 2 328.378 3.586 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H](C)C1 ZINC000425172368 1024377144 /nfs/dbraw/zinc/37/71/44/1024377144.db2.gz AKGIUKMPGYOJSG-FZCLSBEQSA-N 1 2 325.456 3.873 20 0 EHADLO COCc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000346092387 1024390475 /nfs/dbraw/zinc/39/04/75/1024390475.db2.gz MTFOESIODOBZBB-UHFFFAOYSA-N 1 2 346.390 3.795 20 0 EHADLO CSCC[C@@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425178576 1024391008 /nfs/dbraw/zinc/39/10/08/1024391008.db2.gz LWOYKWBPJAKRTB-ZBFHGGJFSA-N 1 2 331.485 3.532 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1nc(C(C)(C)C)cs1 ZINC000184503832 1024433203 /nfs/dbraw/zinc/43/32/03/1024433203.db2.gz XAZFPPZXBQZVMR-MOKVOYLWSA-N 1 2 337.533 3.786 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cn1nc(C(F)F)n(C)c1=S ZINC000840166934 1024438371 /nfs/dbraw/zinc/43/83/71/1024438371.db2.gz NVWCPZIOLGFDPQ-JTQLQIEISA-N 1 2 344.406 3.548 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cn1nc(C(F)F)n(C)c1=S ZINC000840166934 1024438380 /nfs/dbraw/zinc/43/83/80/1024438380.db2.gz NVWCPZIOLGFDPQ-JTQLQIEISA-N 1 2 344.406 3.548 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425212534 1024452045 /nfs/dbraw/zinc/45/20/45/1024452045.db2.gz FBYUORUPKUAYQE-NUJGCVRESA-N 1 2 325.456 3.826 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)C1 ZINC000425212537 1024452073 /nfs/dbraw/zinc/45/20/73/1024452073.db2.gz FBYUORUPKUAYQE-RYRKJORJSA-N 1 2 325.456 3.826 20 0 EHADLO Cc1ncoc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000895390207 1024455532 /nfs/dbraw/zinc/45/55/32/1024455532.db2.gz JRRBZMYCNNNEIC-ZETCQYMHSA-N 1 2 331.160 3.875 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CC[C@@H](c4noc(C)n4)C3)c2c1 ZINC000895395583 1024466026 /nfs/dbraw/zinc/46/60/26/1024466026.db2.gz ANTRITYSTTVNTO-LLVKDONJSA-N 1 2 344.802 3.582 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000052047702 1024492072 /nfs/dbraw/zinc/49/20/72/1024492072.db2.gz PYOOLPSUNQVWMJ-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000052047702 1024492082 /nfs/dbraw/zinc/49/20/82/1024492082.db2.gz PYOOLPSUNQVWMJ-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000472047700 1024495517 /nfs/dbraw/zinc/49/55/17/1024495517.db2.gz HQZFZMDJMWGJHR-UHFFFAOYSA-N 1 2 338.455 3.920 20 0 EHADLO CC(C)(CC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000280991761 1024501363 /nfs/dbraw/zinc/50/13/63/1024501363.db2.gz MUQVVLVVMMUXSP-UHFFFAOYSA-N 1 2 339.361 3.526 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cnccn1 ZINC000280974103 1024512000 /nfs/dbraw/zinc/51/20/00/1024512000.db2.gz LNSKGVBBIPXDLZ-XPTSAGLGSA-N 1 2 345.752 3.533 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000114230332 1024518348 /nfs/dbraw/zinc/51/83/48/1024518348.db2.gz UEHXYUMMLMANDA-INIZCTEOSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)n1 ZINC000346228431 1024542535 /nfs/dbraw/zinc/54/25/35/1024542535.db2.gz QPVKBLFTWRSVLM-UHFFFAOYSA-N 1 2 344.465 3.897 20 0 EHADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc(Cl)cs3)C2)cc1C ZINC000895503591 1024563913 /nfs/dbraw/zinc/56/39/13/1024563913.db2.gz WUGJPDJMOVOZNF-CYBMUJFWSA-N 1 2 335.860 3.696 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000669656622 1033220715 /nfs/dbraw/zinc/22/07/15/1033220715.db2.gz CVKLRQHXSJPBBF-HOTGVXAUSA-N 1 2 347.409 3.646 20 0 EHADLO COc1ccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884157 1024588597 /nfs/dbraw/zinc/58/85/97/1024588597.db2.gz FBKXEKBGUSUWGH-NVXWUHKLSA-N 1 2 336.395 3.696 20 0 EHADLO CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342262385 1024609954 /nfs/dbraw/zinc/60/99/54/1024609954.db2.gz YRJHGLNOXVEZRB-OAHLLOKOSA-N 1 2 344.827 3.784 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1(c2nc(C)no2)CC1 ZINC000897896145 1033226523 /nfs/dbraw/zinc/22/65/23/1033226523.db2.gz OVWPAKPJMMMDPB-PKNBQFBNSA-N 1 2 335.354 3.662 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(Br)c1 ZINC000529554975 1024667720 /nfs/dbraw/zinc/66/77/20/1024667720.db2.gz NYQFNRCISDPNGD-UONOGXRCSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(Br)c1 ZINC000529554975 1024667725 /nfs/dbraw/zinc/66/77/25/1024667725.db2.gz NYQFNRCISDPNGD-UONOGXRCSA-N 1 2 345.668 3.641 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000514694641 1024676932 /nfs/dbraw/zinc/67/69/32/1024676932.db2.gz MVVNVWJWZRLRNW-LPHOPBHVSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000514694641 1024676940 /nfs/dbraw/zinc/67/69/40/1024676940.db2.gz MVVNVWJWZRLRNW-LPHOPBHVSA-N 1 2 342.439 3.740 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[nH]1 ZINC000277335742 1024687218 /nfs/dbraw/zinc/68/72/18/1024687218.db2.gz USERKBANGADQPA-AVGNSLFASA-N 1 2 329.448 3.688 20 0 EHADLO COc1cc(CNc2c[nH+]c(C)c(C)c2)ccc1OC(=O)C1CC1 ZINC000895646055 1024691329 /nfs/dbraw/zinc/69/13/29/1024691329.db2.gz UTSISJZHONEBDW-UHFFFAOYSA-N 1 2 326.396 3.635 20 0 EHADLO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333678425 1024701067 /nfs/dbraw/zinc/70/10/67/1024701067.db2.gz DUFPALQSHFQQMG-ZBFHGGJFSA-N 1 2 339.439 3.640 20 0 EHADLO CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000425303602 1024702896 /nfs/dbraw/zinc/70/28/96/1024702896.db2.gz KUKZCPKYXLEHIL-INIZCTEOSA-N 1 2 347.409 3.968 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)CS1 ZINC000277343002 1024705179 /nfs/dbraw/zinc/70/51/79/1024705179.db2.gz VDXHJWPRYUTBIG-KGLIPLIRSA-N 1 2 326.531 3.639 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000346424530 1024751662 /nfs/dbraw/zinc/75/16/62/1024751662.db2.gz UEADUXCWGKYHLS-SQNIBIBYSA-N 1 2 335.492 3.544 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000514817511 1024774618 /nfs/dbraw/zinc/77/46/18/1024774618.db2.gz HSXIJWUSYWFAQW-LLVKDONJSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000514817511 1024774627 /nfs/dbraw/zinc/77/46/27/1024774627.db2.gz HSXIJWUSYWFAQW-LLVKDONJSA-N 1 2 329.362 3.658 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485271 1024793054 /nfs/dbraw/zinc/79/30/54/1024793054.db2.gz LZWQGENCYPNZTG-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485271 1024793064 /nfs/dbraw/zinc/79/30/64/1024793064.db2.gz LZWQGENCYPNZTG-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1ncco1 ZINC000895766655 1024795153 /nfs/dbraw/zinc/79/51/53/1024795153.db2.gz WJQZOFFFWUNTPU-QPUJVOFHSA-N 1 2 325.181 3.914 20 0 EHADLO O=C(c1ccccc1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435329019 1024795520 /nfs/dbraw/zinc/79/55/20/1024795520.db2.gz UERBAOUDLTWUJR-UHFFFAOYSA-N 1 2 339.826 3.879 20 0 EHADLO CC(C)n1cncc1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000425341956 1024807240 /nfs/dbraw/zinc/80/72/40/1024807240.db2.gz XZKAALHYVJDOJN-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425351867 1024822050 /nfs/dbraw/zinc/82/20/50/1024822050.db2.gz NYTVMWIMFJMPSL-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425351867 1024822074 /nfs/dbraw/zinc/82/20/74/1024822074.db2.gz NYTVMWIMFJMPSL-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cs1 ZINC000342317772 1024852430 /nfs/dbraw/zinc/85/24/30/1024852430.db2.gz AHUYMFUBDZRKOC-SWLSCSKDSA-N 1 2 336.505 3.851 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1nccnc1Sc1ccccc1 ZINC000342325314 1024893474 /nfs/dbraw/zinc/89/34/74/1024893474.db2.gz RJBYSCYJENKRET-UHFFFAOYSA-N 1 2 347.403 3.528 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000563212195 1024896364 /nfs/dbraw/zinc/89/63/64/1024896364.db2.gz QQJFBUIYDBKFNJ-XKQJLSEDSA-N 1 2 343.389 3.630 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000563212195 1024896370 /nfs/dbraw/zinc/89/63/70/1024896370.db2.gz QQJFBUIYDBKFNJ-XKQJLSEDSA-N 1 2 343.389 3.630 20 0 EHADLO c1[nH+]cn2ccnc(N3CCC[C@H](c4cc(-c5ccccc5)n[nH]4)C3)c12 ZINC000895137524 1024905169 /nfs/dbraw/zinc/90/51/69/1024905169.db2.gz HXGCCWYLANKITG-INIZCTEOSA-N 1 2 344.422 3.503 20 0 EHADLO COC[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000342331999 1024906219 /nfs/dbraw/zinc/90/62/19/1024906219.db2.gz XXABMVQTJDXZIH-LJQANCHMSA-N 1 2 339.414 3.548 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000895850228 1024910310 /nfs/dbraw/zinc/91/03/10/1024910310.db2.gz GXLHJNBGRJAXGY-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000895850228 1024910317 /nfs/dbraw/zinc/91/03/17/1024910317.db2.gz GXLHJNBGRJAXGY-FQEVSTJZSA-N 1 2 343.471 3.663 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(N3CCCCC3)c2)c[nH+]1 ZINC000895856312 1024916121 /nfs/dbraw/zinc/91/61/21/1024916121.db2.gz UUWPXQMFHHXCCJ-UHFFFAOYSA-N 1 2 326.444 3.556 20 0 EHADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618384 1024929229 /nfs/dbraw/zinc/92/92/29/1024929229.db2.gz YPUMEHPSGZHFOA-SMHULIPUSA-N 1 2 343.421 3.522 20 0 EHADLO CC(C)c1nccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000346604440 1024942996 /nfs/dbraw/zinc/94/29/96/1024942996.db2.gz DXVYWFRCTYWZHA-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO COC(=O)C[N@H+](CCCc1cnccc1C)Cc1ccc(Cl)cc1 ZINC000515020534 1024961506 /nfs/dbraw/zinc/96/15/06/1024961506.db2.gz YEUDMAULXPTJLB-UHFFFAOYSA-N 1 2 346.858 3.651 20 0 EHADLO COC(=O)C[N@@H+](CCCc1cnccc1C)Cc1ccc(Cl)cc1 ZINC000515020534 1024961517 /nfs/dbraw/zinc/96/15/17/1024961517.db2.gz YEUDMAULXPTJLB-UHFFFAOYSA-N 1 2 346.858 3.651 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000895906702 1024964967 /nfs/dbraw/zinc/96/49/67/1024964967.db2.gz VGWNTXUKYNLXGC-UHFFFAOYSA-N 1 2 340.254 3.592 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccsc2)O1 ZINC000892139828 1024979304 /nfs/dbraw/zinc/97/93/04/1024979304.db2.gz FGSMYQGVTQSMSE-IAQYHMDHSA-N 1 2 330.409 3.557 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccsc2)O1 ZINC000892139828 1024979311 /nfs/dbraw/zinc/97/93/11/1024979311.db2.gz FGSMYQGVTQSMSE-IAQYHMDHSA-N 1 2 330.409 3.557 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccnc(OC)c1F)CCC2 ZINC000892142001 1024989735 /nfs/dbraw/zinc/98/97/35/1024989735.db2.gz XOGXUNFLRBRIFC-ZDUSSCGKSA-N 1 2 335.448 3.758 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccnc(OC)c1F)CCC2 ZINC000892142001 1024989751 /nfs/dbraw/zinc/98/97/51/1024989751.db2.gz XOGXUNFLRBRIFC-ZDUSSCGKSA-N 1 2 335.448 3.758 20 0 EHADLO CCN(CC)c1ncc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)s1 ZINC000281392983 1024994977 /nfs/dbraw/zinc/99/49/77/1024994977.db2.gz HDMJZVFHCWCLPR-UHFFFAOYSA-N 1 2 347.381 3.836 20 0 EHADLO C[C@H](CC(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000563221006 1025009049 /nfs/dbraw/zinc/00/90/49/1025009049.db2.gz YIEPUPZFXJAXDI-NJAFHUGGSA-N 1 2 341.455 3.539 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395199 1025021565 /nfs/dbraw/zinc/02/15/65/1025021565.db2.gz MZEKZVHEVCKHEG-HOTGVXAUSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395199 1025021575 /nfs/dbraw/zinc/02/15/75/1025021575.db2.gz MZEKZVHEVCKHEG-HOTGVXAUSA-N 1 2 330.255 3.792 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657314239 1025022199 /nfs/dbraw/zinc/02/21/99/1025022199.db2.gz RUNATOHHQUDGMC-UHFFFAOYSA-N 1 2 340.345 3.899 20 0 EHADLO Fc1cc(F)cc([C@H]2C[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)c1 ZINC000435606795 1025031567 /nfs/dbraw/zinc/03/15/67/1025031567.db2.gz MQAXIBVUWFXYQE-SAZUREKKSA-N 1 2 330.382 3.713 20 0 EHADLO Fc1cc(F)cc([C@H]2C[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)c1 ZINC000435606795 1025031578 /nfs/dbraw/zinc/03/15/78/1025031578.db2.gz MQAXIBVUWFXYQE-SAZUREKKSA-N 1 2 330.382 3.713 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3ccc(F)c(F)c3F)[C@H]2C(C)C)C1 ZINC000895990739 1025032900 /nfs/dbraw/zinc/03/29/00/1025032900.db2.gz XGTAEQMZUIRBMZ-INIZCTEOSA-N 1 2 343.389 3.713 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3ccc(F)c(F)c3F)[C@H]2C(C)C)C1 ZINC000895990739 1025032911 /nfs/dbraw/zinc/03/29/11/1025032911.db2.gz XGTAEQMZUIRBMZ-INIZCTEOSA-N 1 2 343.389 3.713 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)o1 ZINC000428213706 1025050953 /nfs/dbraw/zinc/05/09/53/1025050953.db2.gz VKYXUKVDVLKBCV-DLBZAZTESA-N 1 2 348.487 3.879 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)o1 ZINC000428213706 1025050961 /nfs/dbraw/zinc/05/09/61/1025050961.db2.gz VKYXUKVDVLKBCV-DLBZAZTESA-N 1 2 348.487 3.879 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000428232936 1025058130 /nfs/dbraw/zinc/05/81/30/1025058130.db2.gz PLKGRAXXSHRJBX-UHFFFAOYSA-N 1 2 335.398 3.707 20 0 EHADLO Cc1c(Br)ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1F ZINC000520820147 1025075834 /nfs/dbraw/zinc/07/58/34/1025075834.db2.gz ZWEZGYDXXVKWHK-SECBINFHSA-N 1 2 340.196 3.683 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000896020100 1025081211 /nfs/dbraw/zinc/08/12/11/1025081211.db2.gz MBGGYDQBTIJRML-INIZCTEOSA-N 1 2 325.412 3.755 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022367 1025095166 /nfs/dbraw/zinc/09/51/66/1025095166.db2.gz LMOPRXZDUMJIAP-KRWDZBQOSA-N 1 2 348.450 3.834 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000346782680 1025095565 /nfs/dbraw/zinc/09/55/65/1025095565.db2.gz VZLZFPDEAMBHOX-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO CCOc1cncc(N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000441924692 1025107338 /nfs/dbraw/zinc/10/73/38/1025107338.db2.gz QNSRHJOHMRTCHH-KRWDZBQOSA-N 1 2 337.427 3.542 20 0 EHADLO COc1ccc2oc([C@H](C)NC(=O)C[C@H](C)n3cc[nH+]c3)c(C)c2c1 ZINC000515303598 1025162870 /nfs/dbraw/zinc/16/28/70/1025162870.db2.gz IKYMDBAGOQCQRA-JSGCOSHPSA-N 1 2 341.411 3.775 20 0 EHADLO C[C@]1(F)CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000515377612 1025206319 /nfs/dbraw/zinc/20/63/19/1025206319.db2.gz XRLSHDPQRABHCB-IBGZPJMESA-N 1 2 342.418 3.852 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000152117002 1025215539 /nfs/dbraw/zinc/21/55/39/1025215539.db2.gz KPEHUYGSLJISSR-IEBWSBKVSA-N 1 2 325.456 3.883 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC2CC2)c(C)c1 ZINC000442234095 1025228505 /nfs/dbraw/zinc/22/85/05/1025228505.db2.gz GQCYNHVWABJFHS-IBGZPJMESA-N 1 2 340.471 3.683 20 0 EHADLO Fc1ccc(-n2nccc2C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000474624002 1025232464 /nfs/dbraw/zinc/23/24/64/1025232464.db2.gz UHZUZKVDXUBCHS-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cn1c(Cl)cnc1CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000281579873 1025236540 /nfs/dbraw/zinc/23/65/40/1025236540.db2.gz DEUOKVVSABOBMN-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO Cc1c[nH]c(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000657331424 1025238717 /nfs/dbraw/zinc/23/87/17/1025238717.db2.gz CHRQESKHBOCZHU-UHFFFAOYSA-N 1 2 326.444 3.527 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+]C(C)(C)COCc2ccccc2)n1 ZINC000281579925 1025239774 /nfs/dbraw/zinc/23/97/74/1025239774.db2.gz ZTXPWNCVTLCMFA-CQSZACIVSA-N 1 2 349.500 3.969 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OCc2ccccc2)nn2c1CCC2 ZINC000657334189 1025254212 /nfs/dbraw/zinc/25/42/12/1025254212.db2.gz OZKSWQZBHCMWRO-UHFFFAOYSA-N 1 2 333.435 3.698 20 0 EHADLO CN1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)[C@@H](c2ccccc2)C1 ZINC000425427065 1025260121 /nfs/dbraw/zinc/26/01/21/1025260121.db2.gz XNSHWJRVRDWXOE-JOCHJYFZSA-N 1 2 344.462 3.632 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)[C@@H](c2ccccc2)C1 ZINC000425427065 1025260130 /nfs/dbraw/zinc/26/01/30/1025260130.db2.gz XNSHWJRVRDWXOE-JOCHJYFZSA-N 1 2 344.462 3.632 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000469821429 1025304455 /nfs/dbraw/zinc/30/44/55/1025304455.db2.gz QPCLTOGZFPSKMO-XBDAZTQTSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000469821429 1025304467 /nfs/dbraw/zinc/30/44/67/1025304467.db2.gz QPCLTOGZFPSKMO-XBDAZTQTSA-N 1 2 336.426 3.653 20 0 EHADLO CCN(CC1CCC1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474673182 1025317182 /nfs/dbraw/zinc/31/71/82/1025317182.db2.gz BZAKHZZFVHYFMV-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CCN(CC1CCC1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474673182 1025317194 /nfs/dbraw/zinc/31/71/94/1025317194.db2.gz BZAKHZZFVHYFMV-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000563254179 1025328719 /nfs/dbraw/zinc/32/87/19/1025328719.db2.gz WXJVZEXGMFINCG-ZDUSSCGKSA-N 1 2 342.830 3.631 20 0 EHADLO COCCc1nc(C[N@H+]([C@@H](C)c2ccccc2)C2CCCC2)no1 ZINC000425456620 1025338032 /nfs/dbraw/zinc/33/80/32/1025338032.db2.gz ITCHVHSCPJUOQI-HNNXBMFYSA-N 1 2 329.444 3.764 20 0 EHADLO COCCc1nc(C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)no1 ZINC000425456620 1025338042 /nfs/dbraw/zinc/33/80/42/1025338042.db2.gz ITCHVHSCPJUOQI-HNNXBMFYSA-N 1 2 329.444 3.764 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451283 1025342749 /nfs/dbraw/zinc/34/27/49/1025342749.db2.gz XRQGSJXLAGXWSA-PBHICJAKSA-N 1 2 338.879 3.806 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000051451283 1025342763 /nfs/dbraw/zinc/34/27/63/1025342763.db2.gz XRQGSJXLAGXWSA-PBHICJAKSA-N 1 2 338.879 3.806 20 0 EHADLO COc1c(C)cc(CN(C)c2cc(N3CCCCC3)[nH+]cn2)cc1C ZINC000521364700 1025348444 /nfs/dbraw/zinc/34/84/44/1025348444.db2.gz YRAJNYFSWJHDJP-UHFFFAOYSA-N 1 2 340.471 3.729 20 0 EHADLO COc1c(C)cc(CN(C)c2cc(N3CCCCC3)nc[nH+]2)cc1C ZINC000521364700 1025348457 /nfs/dbraw/zinc/34/84/57/1025348457.db2.gz YRAJNYFSWJHDJP-UHFFFAOYSA-N 1 2 340.471 3.729 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCCSC[C@@H]3C)n2)c1 ZINC000934303666 1025349020 /nfs/dbraw/zinc/34/90/20/1025349020.db2.gz JXJJCKZDNYFNFR-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCCSC[C@@H]3C)n2)c1 ZINC000934303666 1025349036 /nfs/dbraw/zinc/34/90/36/1025349036.db2.gz JXJJCKZDNYFNFR-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000582119422 1025353052 /nfs/dbraw/zinc/35/30/52/1025353052.db2.gz UCOCVFQMFWJHLB-ABHNRTSZSA-N 1 2 346.519 3.693 20 0 EHADLO Cn1cnc2c1C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)CC2 ZINC001143437335 1025355378 /nfs/dbraw/zinc/35/53/78/1025355378.db2.gz XURSFIQWEVOBSI-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1cnc2c1C[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)CC2 ZINC001143437335 1025355395 /nfs/dbraw/zinc/35/53/95/1025355395.db2.gz XURSFIQWEVOBSI-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnnn2Cc2ccccc2)cc1 ZINC000607741580 1033278246 /nfs/dbraw/zinc/27/82/46/1033278246.db2.gz XPMLFDIMBJTWJS-FQEVSTJZSA-N 1 2 347.466 3.757 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nnnn2Cc2ccccc2)cc1 ZINC000607741580 1033278259 /nfs/dbraw/zinc/27/82/59/1033278259.db2.gz XPMLFDIMBJTWJS-FQEVSTJZSA-N 1 2 347.466 3.757 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc3c(cc(Cl)cc3Cl)[nH]2)n1 ZINC000346966134 1025362974 /nfs/dbraw/zinc/36/29/74/1025362974.db2.gz WLOGRSLPUKOJIN-UHFFFAOYSA-N 1 2 348.193 3.849 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522467592 1025367573 /nfs/dbraw/zinc/36/75/73/1025367573.db2.gz ULHHBUJXKGQGJA-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ncc(Cl)cc1Cl ZINC001125583860 1025385139 /nfs/dbraw/zinc/38/51/39/1025385139.db2.gz ACVLRFOPBYHNND-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCNc1ccccc1 ZINC000342430117 1025410960 /nfs/dbraw/zinc/41/09/60/1025410960.db2.gz IMBBQXKMFGWJPZ-LJQANCHMSA-N 1 2 348.450 3.550 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000892203444 1025413061 /nfs/dbraw/zinc/41/30/61/1025413061.db2.gz DPQQMVJWMFLLQX-PSLXWICFSA-N 1 2 331.485 3.539 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000892203444 1025413071 /nfs/dbraw/zinc/41/30/71/1025413071.db2.gz DPQQMVJWMFLLQX-PSLXWICFSA-N 1 2 331.485 3.539 20 0 EHADLO O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342432529 1025427155 /nfs/dbraw/zinc/42/71/55/1025427155.db2.gz GUCORGUEZISTLE-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1ccsc1 ZINC000347153646 1025447312 /nfs/dbraw/zinc/44/73/12/1025447312.db2.gz AWSVDTSKQNBOJR-CYBMUJFWSA-N 1 2 337.313 3.868 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000522800317 1025455535 /nfs/dbraw/zinc/45/55/35/1025455535.db2.gz SAEKYNDQVRKLPK-QAPCUYQASA-N 1 2 332.492 3.720 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000522800317 1025455539 /nfs/dbraw/zinc/45/55/39/1025455539.db2.gz SAEKYNDQVRKLPK-QAPCUYQASA-N 1 2 332.492 3.720 20 0 EHADLO COc1ccncc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000347041532 1025456626 /nfs/dbraw/zinc/45/66/26/1025456626.db2.gz YVSJJIUVZJJRQT-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccncc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000347041532 1025456633 /nfs/dbraw/zinc/45/66/33/1025456633.db2.gz YVSJJIUVZJJRQT-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC000505771564 1025463702 /nfs/dbraw/zinc/46/37/02/1025463702.db2.gz OAASKVSLJMNJNO-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC000505771564 1025463709 /nfs/dbraw/zinc/46/37/09/1025463709.db2.gz OAASKVSLJMNJNO-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO CCc1cccc(F)c1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000474799115 1025478847 /nfs/dbraw/zinc/47/88/47/1025478847.db2.gz BOMFMMUVDALRJH-UHFFFAOYSA-N 1 2 343.446 3.604 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000543848232 1025485133 /nfs/dbraw/zinc/48/51/33/1025485133.db2.gz JDXWFRTUVZUYOY-XOKHGSTOSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000543848232 1025485136 /nfs/dbraw/zinc/48/51/36/1025485136.db2.gz JDXWFRTUVZUYOY-XOKHGSTOSA-N 1 2 336.426 3.653 20 0 EHADLO COc1cccc2c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)cc[nH+]c12 ZINC000413455030 1025496889 /nfs/dbraw/zinc/49/68/89/1025496889.db2.gz RMSCAQDLPMDMOK-FUHWJXTLSA-N 1 2 326.440 3.621 20 0 EHADLO COc1ccc(C(=O)Nc2cccc(CNc3cccc[nH+]3)c2)cc1 ZINC000121570133 1025507905 /nfs/dbraw/zinc/50/79/05/1025507905.db2.gz YNPDFMHUQSBQRS-UHFFFAOYSA-N 1 2 333.391 3.955 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000530261764 1025542502 /nfs/dbraw/zinc/54/25/02/1025542502.db2.gz PQUSCQCAHZTYQW-UHFFFAOYSA-N 1 2 348.472 3.739 20 0 EHADLO OC[C@]1([NH2+]Cc2nc(Cl)ccc2Cl)CCCc2ccccc21 ZINC000281834374 1025578677 /nfs/dbraw/zinc/57/86/77/1025578677.db2.gz XZCZEQHTYDYSNT-QGZVFWFLSA-N 1 2 337.250 3.702 20 0 EHADLO CCc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281854763 1025589828 /nfs/dbraw/zinc/58/98/28/1025589828.db2.gz BLIFENUBGPYVKV-SFHVURJKSA-N 1 2 337.467 3.802 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)C2 ZINC000530281924 1025591358 /nfs/dbraw/zinc/59/13/58/1025591358.db2.gz NBUIDGTXEYMTBH-BZUAXINKSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)CC2 ZINC000530281924 1025591373 /nfs/dbraw/zinc/59/13/73/1025591373.db2.gz NBUIDGTXEYMTBH-BZUAXINKSA-N 1 2 331.504 3.969 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C2CC2)cc1Cl ZINC000655383879 1025607785 /nfs/dbraw/zinc/60/77/85/1025607785.db2.gz HMMJVKSHXSXUTI-GFCCVEGCSA-N 1 2 345.830 3.624 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(SC)c1 ZINC000451181221 1025617335 /nfs/dbraw/zinc/61/73/35/1025617335.db2.gz HGFQVNURKUPFHR-UHFFFAOYSA-N 1 2 331.485 3.720 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442968359 1025628639 /nfs/dbraw/zinc/62/86/39/1025628639.db2.gz WQJRUMASVDFKTC-GDBMZVCRSA-N 1 2 333.863 3.759 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442968359 1025628644 /nfs/dbraw/zinc/62/86/44/1025628644.db2.gz WQJRUMASVDFKTC-GDBMZVCRSA-N 1 2 333.863 3.759 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000521746687 1025649294 /nfs/dbraw/zinc/64/92/94/1025649294.db2.gz OTFKCZOFWJGDSN-BQFCYCMXSA-N 1 2 345.487 3.780 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000442991392 1025651899 /nfs/dbraw/zinc/65/18/99/1025651899.db2.gz NLNWZABMIXNZEJ-SFHVURJKSA-N 1 2 337.398 3.684 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2nc(C(C)C)n3ccccc23)c1C ZINC000582246361 1025663298 /nfs/dbraw/zinc/66/32/98/1025663298.db2.gz WIMICFAOZZYLJB-UHFFFAOYSA-N 1 2 325.460 3.581 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)no1 ZINC000436411060 1025709215 /nfs/dbraw/zinc/70/92/15/1025709215.db2.gz POXVHFGJKJCKJO-UHFFFAOYSA-N 1 2 331.391 3.900 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@H+](Cc1nc(CC(F)(F)F)no1)C2 ZINC000451258776 1025712378 /nfs/dbraw/zinc/71/23/78/1025712378.db2.gz HCLYNSUXEHPFMY-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1nc(CC(F)(F)F)no1)C2 ZINC000451258776 1025712398 /nfs/dbraw/zinc/71/23/98/1025712398.db2.gz HCLYNSUXEHPFMY-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@@H]4C[C@H]4c4ccccc4)no3)c2)c[nH+]1 ZINC000347241967 1025716213 /nfs/dbraw/zinc/71/62/13/1025716213.db2.gz KAHVDXVYYYXSHS-JKSUJKDBSA-N 1 2 329.363 3.588 20 0 EHADLO Cc1ccc(C)c([C@@H]2CN(c3nc(N)c4ccccc4[nH+]3)[C@@H](C)CO2)c1 ZINC000530370513 1025720194 /nfs/dbraw/zinc/72/01/94/1025720194.db2.gz LGRKEGPGRABZOL-KXBFYZLASA-N 1 2 348.450 3.626 20 0 EHADLO Cc1ccc([C@@H](Nc2nc(N)c3ccccc3[nH+]2)c2ccccn2)cc1 ZINC000530379107 1025728787 /nfs/dbraw/zinc/72/87/87/1025728787.db2.gz UOYBEWXDZJBWRK-LJQANCHMSA-N 1 2 341.418 3.947 20 0 EHADLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329291972 1025728684 /nfs/dbraw/zinc/72/86/84/1025728684.db2.gz NOMSERJNQLUREP-LSDHHAIUSA-N 1 2 332.835 3.578 20 0 EHADLO c1[nH]cc(C2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)[nH+]1 ZINC000436444256 1025731841 /nfs/dbraw/zinc/73/18/41/1025731841.db2.gz ZORWGJCJXJPRPZ-UHFFFAOYSA-N 1 2 342.472 3.556 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2sccc2s1 ZINC000521859236 1025735175 /nfs/dbraw/zinc/73/51/75/1025735175.db2.gz NANXRCSWBUAPMI-UHFFFAOYSA-N 1 2 331.466 3.980 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451269951 1025739498 /nfs/dbraw/zinc/73/94/98/1025739498.db2.gz UAKACLIGGUTPFN-WTANOLMUSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451269951 1025739507 /nfs/dbraw/zinc/73/95/07/1025739507.db2.gz UAKACLIGGUTPFN-WTANOLMUSA-N 1 2 335.369 3.826 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000303862583 1025775447 /nfs/dbraw/zinc/77/54/47/1025775447.db2.gz GVOHAHLAASBARY-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 ZINC000451292641 1025776964 /nfs/dbraw/zinc/77/69/64/1025776964.db2.gz FAJKEIYRLXDWSX-UHFFFAOYSA-N 1 2 342.390 3.640 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000443168780 1025779119 /nfs/dbraw/zinc/77/91/19/1025779119.db2.gz HUMOAAXFRVWVNI-INIZCTEOSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)nn1C ZINC000451298965 1025785142 /nfs/dbraw/zinc/78/51/42/1025785142.db2.gz XWPOVNPBQWJUMV-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896905199 1025829656 /nfs/dbraw/zinc/82/96/56/1025829656.db2.gz DDQZXRPEVXWNOC-UHFFFAOYSA-N 1 2 340.452 3.697 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1C ZINC000451330062 1025835154 /nfs/dbraw/zinc/83/51/54/1025835154.db2.gz LGPLJZJBUHOCKY-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1C ZINC000451330062 1025835177 /nfs/dbraw/zinc/83/51/77/1025835177.db2.gz LGPLJZJBUHOCKY-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)c(OCCC(C)C)c1 ZINC000657391554 1025852811 /nfs/dbraw/zinc/85/28/11/1025852811.db2.gz DSPJBUORTAAENN-UHFFFAOYSA-N 1 2 327.472 3.852 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000436550625 1025856077 /nfs/dbraw/zinc/85/60/77/1025856077.db2.gz ZXGUGSXVUROGDO-CQSZACIVSA-N 1 2 327.428 3.567 20 0 EHADLO Cc1ccc(Oc2ccccc2NC(=O)NCc2c[nH+]cn2C)cc1 ZINC000349906247 1025873618 /nfs/dbraw/zinc/87/36/18/1025873618.db2.gz PINTUVJKFMFQBI-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000121827521 1025899452 /nfs/dbraw/zinc/89/94/52/1025899452.db2.gz KPFSCTFSNYGKRE-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)[nH+]c1C ZINC000896910792 1025942752 /nfs/dbraw/zinc/94/27/52/1025942752.db2.gz YBQUMVVQDXOXHQ-SECBINFHSA-N 1 2 325.334 3.622 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCOc1ccccc1 ZINC000277558986 1025957884 /nfs/dbraw/zinc/95/78/84/1025957884.db2.gz MXSOUDHKCQDPJW-UHFFFAOYSA-N 1 2 343.471 3.543 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000304061642 1025986881 /nfs/dbraw/zinc/98/68/81/1025986881.db2.gz PTQABHWCIFIWST-HNNXBMFYSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000304061642 1025986900 /nfs/dbraw/zinc/98/69/00/1025986900.db2.gz PTQABHWCIFIWST-HNNXBMFYSA-N 1 2 344.436 3.577 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)cs2)cc1 ZINC000451437395 1025988508 /nfs/dbraw/zinc/98/85/08/1025988508.db2.gz LOVCEBLHFXHMIV-KRWDZBQOSA-N 1 2 338.423 3.574 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(C(F)F)C3)cs2)cc1 ZINC000451437395 1025988523 /nfs/dbraw/zinc/98/85/23/1025988523.db2.gz LOVCEBLHFXHMIV-KRWDZBQOSA-N 1 2 338.423 3.574 20 0 EHADLO c1[nH+]c(-c2ccc(NCc3cn(C4CCC4)nn3)cc2)n2c1CCCC2 ZINC000657406908 1026045593 /nfs/dbraw/zinc/04/55/93/1026045593.db2.gz MDULLALDXHALPJ-UHFFFAOYSA-N 1 2 348.454 3.815 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@H]1C ZINC000451541744 1026088568 /nfs/dbraw/zinc/08/85/68/1026088568.db2.gz MEAPLGLSGFLVLV-SCDSUCTJSA-N 1 2 349.500 3.822 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@H]1C ZINC000451541744 1026088583 /nfs/dbraw/zinc/08/85/83/1026088583.db2.gz MEAPLGLSGFLVLV-SCDSUCTJSA-N 1 2 349.500 3.822 20 0 EHADLO CCCc1nc(C)c(-c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)o1 ZINC000896821701 1026108012 /nfs/dbraw/zinc/10/80/12/1026108012.db2.gz VVYXNZZUPKQDQY-UHFFFAOYSA-N 1 2 349.394 3.762 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000277578727 1026122199 /nfs/dbraw/zinc/12/21/99/1026122199.db2.gz OILLYCKJAVNFBZ-IBGZPJMESA-N 1 2 339.483 3.804 20 0 EHADLO Cc1cc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000532369566 1026160230 /nfs/dbraw/zinc/16/02/30/1026160230.db2.gz BLLPWSGOSBBSLX-AWEZNQCLSA-N 1 2 331.460 3.611 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000152475019 1026176777 /nfs/dbraw/zinc/17/67/77/1026176777.db2.gz JHHLJDKKCHJNMB-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000451654333 1026180739 /nfs/dbraw/zinc/18/07/39/1026180739.db2.gz UYRSDQBJTRMTKE-INIZCTEOSA-N 1 2 341.542 3.586 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000451654333 1026180746 /nfs/dbraw/zinc/18/07/46/1026180746.db2.gz UYRSDQBJTRMTKE-INIZCTEOSA-N 1 2 341.542 3.586 20 0 EHADLO CC(C)OC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000530686813 1026202011 /nfs/dbraw/zinc/20/20/11/1026202011.db2.gz AIQQSPVIACFZQA-HNNXBMFYSA-N 1 2 329.444 3.611 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475128802 1026214323 /nfs/dbraw/zinc/21/43/23/1026214323.db2.gz JXVKNCLFNAESAO-DJIMGWMZSA-N 1 2 328.460 3.594 20 0 EHADLO Fc1cccc(Cl)c1[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000648078291 1026218980 /nfs/dbraw/zinc/21/89/80/1026218980.db2.gz CREGJSYJEJWECJ-MRXNPFEDSA-N 1 2 345.805 3.700 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000475127152 1026221481 /nfs/dbraw/zinc/22/14/81/1026221481.db2.gz HUPZPGBVAPZZDD-WOJBJXKFSA-N 1 2 345.483 3.826 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000475127152 1026221490 /nfs/dbraw/zinc/22/14/90/1026221490.db2.gz HUPZPGBVAPZZDD-WOJBJXKFSA-N 1 2 345.483 3.826 20 0 EHADLO O=C1NCCC2(CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)O1 ZINC000897014360 1026227549 /nfs/dbraw/zinc/22/75/49/1026227549.db2.gz WBHJXRFSIJGECG-UHFFFAOYSA-N 1 2 347.217 3.597 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000451756754 1026265768 /nfs/dbraw/zinc/26/57/68/1026265768.db2.gz NEDBSZLOTHIJQB-OAQYLSRUSA-N 1 2 325.543 3.920 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000451756754 1026265780 /nfs/dbraw/zinc/26/57/80/1026265780.db2.gz NEDBSZLOTHIJQB-OAQYLSRUSA-N 1 2 325.543 3.920 20 0 EHADLO CC[C@@H]1CN(CC)CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000451736902 1026272504 /nfs/dbraw/zinc/27/25/04/1026272504.db2.gz ZZAOKJHGJFKVNY-CQSZACIVSA-N 1 2 330.394 3.500 20 0 EHADLO CC[C@@H]1CN(CC)CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000451736902 1026272515 /nfs/dbraw/zinc/27/25/15/1026272515.db2.gz ZZAOKJHGJFKVNY-CQSZACIVSA-N 1 2 330.394 3.500 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000530802900 1026307194 /nfs/dbraw/zinc/30/71/94/1026307194.db2.gz AKWYKCJYTRTUJH-MRXNPFEDSA-N 1 2 336.794 3.729 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836916 1026316164 /nfs/dbraw/zinc/31/61/64/1026316164.db2.gz LPWFLUOKHCYLSR-KSSFIOAISA-N 1 2 342.414 3.651 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836916 1026316178 /nfs/dbraw/zinc/31/61/78/1026316178.db2.gz LPWFLUOKHCYLSR-KSSFIOAISA-N 1 2 342.414 3.651 20 0 EHADLO CCC[N@H+](Cc1nc(N(C)C)no1)[C@H](C)c1cc2ccccc2o1 ZINC000192700671 1026325307 /nfs/dbraw/zinc/32/53/07/1026325307.db2.gz URDFZKKMPWZYIQ-CYBMUJFWSA-N 1 2 328.416 3.855 20 0 EHADLO CCC[N@@H+](Cc1nc(N(C)C)no1)[C@H](C)c1cc2ccccc2o1 ZINC000192700671 1026325319 /nfs/dbraw/zinc/32/53/19/1026325319.db2.gz URDFZKKMPWZYIQ-CYBMUJFWSA-N 1 2 328.416 3.855 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2CCC(C)CC2)s1 ZINC000122219093 1026326188 /nfs/dbraw/zinc/32/61/88/1026326188.db2.gz CNVBKDLHKRMWDK-HNFVBEJKSA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2CCC(C)CC2)s1 ZINC000122219093 1026326193 /nfs/dbraw/zinc/32/61/93/1026326193.db2.gz CNVBKDLHKRMWDK-HNFVBEJKSA-N 1 2 337.533 3.702 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030571185 1026335445 /nfs/dbraw/zinc/33/54/45/1026335445.db2.gz BKXNJGCZYGKIPZ-UHFFFAOYSA-N 1 2 338.436 3.850 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846534 1026342437 /nfs/dbraw/zinc/34/24/37/1026342437.db2.gz WQXHXVJGMMRCMD-VLWBHCEFSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846534 1026342446 /nfs/dbraw/zinc/34/24/46/1026342446.db2.gz WQXHXVJGMMRCMD-VLWBHCEFSA-N 1 2 330.472 3.890 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cn1 ZINC000451885448 1026352419 /nfs/dbraw/zinc/35/24/19/1026352419.db2.gz FLPCDCLECYNBRM-CQSZACIVSA-N 1 2 326.469 3.801 20 0 EHADLO CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000530899314 1026383350 /nfs/dbraw/zinc/38/33/50/1026383350.db2.gz YWYOFNCQKAFJBI-HIFRSBDPSA-N 1 2 332.473 3.829 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)C1CC1 ZINC000530905113 1026392407 /nfs/dbraw/zinc/39/24/07/1026392407.db2.gz ZJTGMMIHSDLUKV-ZIAGYGMSSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)C1CC1 ZINC000530905113 1026392419 /nfs/dbraw/zinc/39/24/19/1026392419.db2.gz ZJTGMMIHSDLUKV-ZIAGYGMSSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C2CC2)O1 ZINC000475280441 1026430223 /nfs/dbraw/zinc/43/02/23/1026430223.db2.gz NOZIHEVNIIWRQI-IFXJQAMLSA-N 1 2 334.891 3.940 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C2CC2)O1 ZINC000475280441 1026430231 /nfs/dbraw/zinc/43/02/31/1026430231.db2.gz NOZIHEVNIIWRQI-IFXJQAMLSA-N 1 2 334.891 3.940 20 0 EHADLO COc1cccc2c(N[C@H](CO)Cc3c[nH]c4ccccc34)cc[nH+]c12 ZINC000193483963 1026464975 /nfs/dbraw/zinc/46/49/75/1026464975.db2.gz LTJWQOUKWDNLIG-HNNXBMFYSA-N 1 2 347.418 3.740 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[N@H+](C)Cc1ccnn1C ZINC000475333560 1026484610 /nfs/dbraw/zinc/48/46/10/1026484610.db2.gz NSHQHINDBBHFIS-UHFFFAOYSA-N 1 2 332.467 3.818 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[N@@H+](C)Cc1ccnn1C ZINC000475333560 1026484615 /nfs/dbraw/zinc/48/46/15/1026484615.db2.gz NSHQHINDBBHFIS-UHFFFAOYSA-N 1 2 332.467 3.818 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000511149060 1026491682 /nfs/dbraw/zinc/49/16/82/1026491682.db2.gz BWECKGQDJBDMDZ-KRWDZBQOSA-N 1 2 344.499 3.556 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000342628382 1026508768 /nfs/dbraw/zinc/50/87/68/1026508768.db2.gz CUPIRJRCMZSDOB-QGZVFWFLSA-N 1 2 345.830 3.986 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C ZINC000475363429 1026515490 /nfs/dbraw/zinc/51/54/90/1026515490.db2.gz CXAODAPMELUAIZ-GXFFZTMASA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C ZINC000475363429 1026515496 /nfs/dbraw/zinc/51/54/96/1026515496.db2.gz CXAODAPMELUAIZ-GXFFZTMASA-N 1 2 349.780 3.990 20 0 EHADLO C[N@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342628097 1026517056 /nfs/dbraw/zinc/51/70/56/1026517056.db2.gz CGOXKWWUFLBFID-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342628097 1026517063 /nfs/dbraw/zinc/51/70/63/1026517063.db2.gz CGOXKWWUFLBFID-OAHLLOKOSA-N 1 2 338.329 3.536 20 0 EHADLO CC1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCCC1 ZINC000159197576 1026532502 /nfs/dbraw/zinc/53/25/02/1026532502.db2.gz DZADQJKRAMVETI-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cnc2ccsc2c1 ZINC000152693778 1026543780 /nfs/dbraw/zinc/54/37/80/1026543780.db2.gz OVCHZKBKOKVZHV-CYBMUJFWSA-N 1 2 335.436 3.728 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(CCOCc2ccccc2)CC1 ZINC000452333232 1026666061 /nfs/dbraw/zinc/66/60/61/1026666061.db2.gz ITYWXBPHXXGWCS-UHFFFAOYSA-N 1 2 339.439 3.545 20 0 EHADLO Cc1ccc(C(=O)CCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452333335 1026666492 /nfs/dbraw/zinc/66/64/92/1026666492.db2.gz PLYYCZMCDUIUAK-UHFFFAOYSA-N 1 2 325.412 3.520 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342675133 1026670506 /nfs/dbraw/zinc/67/05/06/1026670506.db2.gz JTPUMQSQGMWMMK-OALUTQOASA-N 1 2 348.450 3.936 20 0 EHADLO Cc1cc(NCCNc2ccc(C(F)(F)F)cn2)nc(C(C)C)[nH+]1 ZINC000301078571 1026676319 /nfs/dbraw/zinc/67/63/19/1026676319.db2.gz HUIKVCRWJGSRES-UHFFFAOYSA-N 1 2 339.365 3.846 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000277721656 1026679667 /nfs/dbraw/zinc/67/96/67/1026679667.db2.gz OLZKYDLNXTVXMH-ZWKOTPCHSA-N 1 2 339.439 3.783 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000039030948 1026684126 /nfs/dbraw/zinc/68/41/26/1026684126.db2.gz JXXRTWXDUMNJOP-IBGZPJMESA-N 1 2 329.827 3.986 20 0 EHADLO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000039030948 1026684134 /nfs/dbraw/zinc/68/41/34/1026684134.db2.gz JXXRTWXDUMNJOP-IBGZPJMESA-N 1 2 329.827 3.986 20 0 EHADLO Cc1cc(NCc2ccc(-n3ccnc3)c(F)c2)nc(C(C)C)[nH+]1 ZINC000301123518 1026693042 /nfs/dbraw/zinc/69/30/42/1026693042.db2.gz OWVHSEUTUVTTJO-UHFFFAOYSA-N 1 2 325.391 3.845 20 0 EHADLO CCc1cc2c(ncnc2NCCCCNc2cccc[nH+]2)s1 ZINC000301167152 1026708640 /nfs/dbraw/zinc/70/86/40/1026708640.db2.gz IUFTWYZTAXFYQD-UHFFFAOYSA-N 1 2 327.457 3.953 20 0 EHADLO OC[C@H](C1CC1)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305291650 1026710421 /nfs/dbraw/zinc/71/04/21/1026710421.db2.gz FKJPPNLDTUXHFV-GOSISDBHSA-N 1 2 341.455 3.500 20 0 EHADLO OC[C@H](C1CC1)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000305291650 1026710432 /nfs/dbraw/zinc/71/04/32/1026710432.db2.gz FKJPPNLDTUXHFV-GOSISDBHSA-N 1 2 341.455 3.500 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000665646460 1026723968 /nfs/dbraw/zinc/72/39/68/1026723968.db2.gz NDDPLSANNSFTNX-BFYDXBDKSA-N 1 2 343.858 3.551 20 0 EHADLO c1ccc2[nH]c(C3CCN(c4cc(NCC5CC5)[nH+]cn4)CC3)nc2c1 ZINC000301299622 1026755061 /nfs/dbraw/zinc/75/50/61/1026755061.db2.gz UGASQKCBGQRCHM-UHFFFAOYSA-N 1 2 348.454 3.559 20 0 EHADLO CC(C)C[C@]1(C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452510291 1026786209 /nfs/dbraw/zinc/78/62/09/1026786209.db2.gz MRCSYQXCXAKUSF-NRFANRHFSA-N 1 2 339.483 3.901 20 0 EHADLO Oc1cccc2c1CC[C@@H]2Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301493531 1026827529 /nfs/dbraw/zinc/82/75/29/1026827529.db2.gz QSYZITYMGHPERI-KRWDZBQOSA-N 1 2 343.390 3.621 20 0 EHADLO Cc1ccc2ncnc(NCc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000301524144 1026839512 /nfs/dbraw/zinc/83/95/12/1026839512.db2.gz GYDBDQCYKDZXQK-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO C[C@]1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000452591157 1026842838 /nfs/dbraw/zinc/84/28/38/1026842838.db2.gz BXMLTVVUZUGDPO-MCBXIFIFSA-N 1 2 329.831 3.578 20 0 EHADLO COCOc1ccccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001211553113 1026860280 /nfs/dbraw/zinc/86/02/80/1026860280.db2.gz ZXAKJHMVOMKNNW-UHFFFAOYSA-N 1 2 348.200 3.823 20 0 EHADLO Cc1nc(N2CC[C@@H](OCCCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671302 1026895426 /nfs/dbraw/zinc/89/54/26/1026895426.db2.gz OKVKHZZBWQVSLY-LJQANCHMSA-N 1 2 325.456 3.630 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCn1cc[nH+]c1)CCC2 ZINC000125600608 1026906653 /nfs/dbraw/zinc/90/66/53/1026906653.db2.gz FZXZPGWDUHLCER-LJQANCHMSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1CNc1nc(N)c2ccccc2[nH+]1 ZINC000301767710 1026930481 /nfs/dbraw/zinc/93/04/81/1026930481.db2.gz HUWZEXHJCLBLQO-UHFFFAOYSA-N 1 2 344.422 3.627 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301817468 1026951333 /nfs/dbraw/zinc/95/13/33/1026951333.db2.gz KBVSDZQSPHZYLA-CYBMUJFWSA-N 1 2 330.395 3.571 20 0 EHADLO CC(C)c1cc(N[C@H](C)C(=O)N2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301826105 1026953753 /nfs/dbraw/zinc/95/37/53/1026953753.db2.gz OXABMGKKWUVQHB-LSDHHAIUSA-N 1 2 332.492 3.925 20 0 EHADLO Cc1cccc(O[C@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301855560 1026964918 /nfs/dbraw/zinc/96/49/18/1026964918.db2.gz BVLUEWCBYBBQIY-CQSZACIVSA-N 1 2 339.443 3.769 20 0 EHADLO Nc1nc(NCCCc2nc3c(s2)CCCC3)[nH+]c2ccccc12 ZINC000301861319 1026968583 /nfs/dbraw/zinc/96/85/83/1026968583.db2.gz FUSILIBEABEUJH-UHFFFAOYSA-N 1 2 339.468 3.592 20 0 EHADLO Nc1nc(N[C@H](c2ccccc2)c2ccccn2)[nH+]c2ccccc12 ZINC000301892094 1026981946 /nfs/dbraw/zinc/98/19/46/1026981946.db2.gz RSIOFJUGESNWBN-GOSISDBHSA-N 1 2 327.391 3.809 20 0 EHADLO CCCC(=O)Nc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000301895929 1026982871 /nfs/dbraw/zinc/98/28/71/1026982871.db2.gz UFUALNBVLAEFLN-UHFFFAOYSA-N 1 2 335.411 3.563 20 0 EHADLO CCc1nc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cs1 ZINC000301897875 1026984702 /nfs/dbraw/zinc/98/47/02/1026984702.db2.gz RQQDRSVPLZCWLR-JTQLQIEISA-N 1 2 330.461 3.773 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3nc4ccccc4n3C3CC3)cn2c1 ZINC000342768966 1026992567 /nfs/dbraw/zinc/99/25/67/1026992567.db2.gz OUKSVMUPMNZOTG-UHFFFAOYSA-N 1 2 331.423 3.617 20 0 EHADLO CCOCCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001167601587 1026995649 /nfs/dbraw/zinc/99/56/49/1026995649.db2.gz DWVSQSZJGNFAPF-GFCCVEGCSA-N 1 2 332.271 3.966 20 0 EHADLO CCOCCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001167601587 1026995657 /nfs/dbraw/zinc/99/56/57/1026995657.db2.gz DWVSQSZJGNFAPF-GFCCVEGCSA-N 1 2 332.271 3.966 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1c(C)noc1C ZINC000301942177 1027002995 /nfs/dbraw/zinc/00/29/95/1027002995.db2.gz VJXYQERPIXQRIV-ZDUSSCGKSA-N 1 2 328.420 3.749 20 0 EHADLO CCC(CC)[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000302077092 1027046335 /nfs/dbraw/zinc/04/63/35/1027046335.db2.gz WOIZQSARUAQTKK-GDBMZVCRSA-N 1 2 345.491 3.977 20 0 EHADLO CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000342791500 1027091932 /nfs/dbraw/zinc/09/19/32/1027091932.db2.gz RFUAHFJNGDGTBK-KUHUBIRLSA-N 1 2 344.434 3.794 20 0 EHADLO CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000342791500 1027091938 /nfs/dbraw/zinc/09/19/38/1027091938.db2.gz RFUAHFJNGDGTBK-KUHUBIRLSA-N 1 2 344.434 3.794 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000125591535 1027094298 /nfs/dbraw/zinc/09/42/98/1027094298.db2.gz RCTZVJWXTRPHKS-UHFFFAOYSA-N 1 2 339.464 3.630 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000125591535 1027094309 /nfs/dbraw/zinc/09/43/09/1027094309.db2.gz RCTZVJWXTRPHKS-UHFFFAOYSA-N 1 2 339.464 3.630 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534449 1027145324 /nfs/dbraw/zinc/14/53/24/1027145324.db2.gz RGHKQAHSTGNNHQ-SNVBAGLBSA-N 1 2 346.793 3.703 20 0 EHADLO CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075532107 1027146075 /nfs/dbraw/zinc/14/60/75/1027146075.db2.gz JROFNBBWDLERQT-KBOKABMXSA-N 1 2 339.439 3.616 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000075534247 1027146154 /nfs/dbraw/zinc/14/61/54/1027146154.db2.gz IAHDOHBGDOYLIR-KBPBESRZSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126112641 1027162339 /nfs/dbraw/zinc/16/23/39/1027162339.db2.gz GOEKRQMWOPDPJH-HKUYNNGSSA-N 1 2 325.456 3.624 20 0 EHADLO CCOc1ccc2c(c1)[C@@H](Nc1nc(N)c3ccccc3[nH+]1)CCO2 ZINC000302491466 1027167098 /nfs/dbraw/zinc/16/70/98/1027167098.db2.gz ZXPTZMQSOQGEPH-INIZCTEOSA-N 1 2 336.395 3.546 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000302497326 1027170621 /nfs/dbraw/zinc/17/06/21/1027170621.db2.gz BRRPWZOWTBDKEX-WFASDCNBSA-N 1 2 331.382 3.804 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000126289826 1027182301 /nfs/dbraw/zinc/18/23/01/1027182301.db2.gz SGMAGEAWNNHJCJ-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000126289826 1027182318 /nfs/dbraw/zinc/18/23/18/1027182318.db2.gz SGMAGEAWNNHJCJ-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000272951943 1027194935 /nfs/dbraw/zinc/19/49/35/1027194935.db2.gz KSIZLENZZOIEGR-IBGZPJMESA-N 1 2 337.471 3.763 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000272951943 1027194944 /nfs/dbraw/zinc/19/49/44/1027194944.db2.gz KSIZLENZZOIEGR-IBGZPJMESA-N 1 2 337.471 3.763 20 0 EHADLO C[N@H+](Cc1csc(-c2ccco2)n1)[C@H](CCO)c1ccccc1 ZINC000075899605 1027206845 /nfs/dbraw/zinc/20/68/45/1027206845.db2.gz PEHWOAUFEZXGGK-MRXNPFEDSA-N 1 2 328.437 3.959 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccco2)n1)[C@H](CCO)c1ccccc1 ZINC000075899605 1027206856 /nfs/dbraw/zinc/20/68/56/1027206856.db2.gz PEHWOAUFEZXGGK-MRXNPFEDSA-N 1 2 328.437 3.959 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC(Oc3cc(C)ccn3)CC2)n1 ZINC000272980876 1027206866 /nfs/dbraw/zinc/20/68/66/1027206866.db2.gz QLUVQFHPGPUOIP-OAHLLOKOSA-N 1 2 344.459 3.720 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000076053422 1027231493 /nfs/dbraw/zinc/23/14/93/1027231493.db2.gz FFUVBSVUEZBEDL-HIFRSBDPSA-N 1 2 338.411 3.806 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076082246 1027238064 /nfs/dbraw/zinc/23/80/64/1027238064.db2.gz BQTOTSQMUSMYFJ-MRXNPFEDSA-N 1 2 340.471 3.585 20 0 EHADLO COCc1noc([C@@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000273037760 1027238839 /nfs/dbraw/zinc/23/88/39/1027238839.db2.gz OFMQYQXSAKTSCD-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000273037760 1027238846 /nfs/dbraw/zinc/23/88/46/1027238846.db2.gz OFMQYQXSAKTSCD-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(c3ncncc3Cl)CC2)cc1 ZINC000302698283 1027243385 /nfs/dbraw/zinc/24/33/85/1027243385.db2.gz HLYRBMXSZIAOMX-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000454220860 1027263976 /nfs/dbraw/zinc/26/39/76/1027263976.db2.gz BFQFLWKKDRJGPL-INIZCTEOSA-N 1 2 338.455 3.551 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000273130234 1027278663 /nfs/dbraw/zinc/27/86/63/1027278663.db2.gz IPQWAFJNBGCRCZ-SNVBAGLBSA-N 1 2 345.390 3.892 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501433015 1027280169 /nfs/dbraw/zinc/28/01/69/1027280169.db2.gz FLYBGQONGOQLIS-HRAATJIYSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000501433015 1027280177 /nfs/dbraw/zinc/28/01/77/1027280177.db2.gz FLYBGQONGOQLIS-HRAATJIYSA-N 1 2 340.442 3.715 20 0 EHADLO CC(C)c1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000127169632 1027280240 /nfs/dbraw/zinc/28/02/40/1027280240.db2.gz ZLLQGKHQXVFIHI-GOSISDBHSA-N 1 2 325.412 3.890 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000302785009 1027290496 /nfs/dbraw/zinc/29/04/96/1027290496.db2.gz MIHOQHZFVGJUQX-GOSISDBHSA-N 1 2 328.485 3.839 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000302785009 1027290516 /nfs/dbraw/zinc/29/05/16/1027290516.db2.gz MIHOQHZFVGJUQX-GOSISDBHSA-N 1 2 328.485 3.839 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2ncc(Cl)n2C)c2ccccn2)cc1 ZINC000273181374 1027297494 /nfs/dbraw/zinc/29/74/94/1027297494.db2.gz JJKKQNFKQFJNOR-KRWDZBQOSA-N 1 2 340.858 3.851 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(OC)cc1 ZINC000302812472 1027306791 /nfs/dbraw/zinc/30/67/91/1027306791.db2.gz ZHHDSYNNKNVBHU-MRXNPFEDSA-N 1 2 344.484 3.602 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(OC)cc1 ZINC000302812472 1027306811 /nfs/dbraw/zinc/30/68/11/1027306811.db2.gz ZHHDSYNNKNVBHU-MRXNPFEDSA-N 1 2 344.484 3.602 20 0 EHADLO Cc1ccc(Br)cc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302824272 1027311561 /nfs/dbraw/zinc/31/15/61/1027311561.db2.gz GCZGKODRBJKHTO-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1ccc(Br)cc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302824272 1027311579 /nfs/dbraw/zinc/31/15/79/1027311579.db2.gz GCZGKODRBJKHTO-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000123453385 1027313932 /nfs/dbraw/zinc/31/39/32/1027313932.db2.gz ZFSNFLCWLBXHIO-MJGOQNOKSA-N 1 2 347.422 3.637 20 0 EHADLO c1cnc2c(c1)cccc2OCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302918997 1027360564 /nfs/dbraw/zinc/36/05/64/1027360564.db2.gz YDZMKBLHWSACON-UHFFFAOYSA-N 1 2 349.438 3.506 20 0 EHADLO c1cnc2c(c1)cccc2OCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302918997 1027360577 /nfs/dbraw/zinc/36/05/77/1027360577.db2.gz YDZMKBLHWSACON-UHFFFAOYSA-N 1 2 349.438 3.506 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000077341386 1027398027 /nfs/dbraw/zinc/39/80/27/1027398027.db2.gz WWBURCLIDVSBPW-MRXNPFEDSA-N 1 2 342.487 3.945 20 0 EHADLO O=C1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc2N1 ZINC000544386295 1027401573 /nfs/dbraw/zinc/40/15/73/1027401573.db2.gz LMQLKAIEFLIUMF-SFHVURJKSA-N 1 2 336.439 3.957 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3ccco3)n2)C1 ZINC000054277836 1027404868 /nfs/dbraw/zinc/40/48/68/1027404868.db2.gz FHRASHNJULZIMF-KTRBRXNASA-N 1 2 331.441 3.620 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3ccco3)n2)C1 ZINC000054277836 1027404873 /nfs/dbraw/zinc/40/48/73/1027404873.db2.gz FHRASHNJULZIMF-KTRBRXNASA-N 1 2 331.441 3.620 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446705 1027418613 /nfs/dbraw/zinc/41/86/13/1027418613.db2.gz OYXJQNIBNNBYFZ-GOSISDBHSA-N 1 2 349.521 3.624 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446705 1027418620 /nfs/dbraw/zinc/41/86/20/1027418620.db2.gz OYXJQNIBNNBYFZ-GOSISDBHSA-N 1 2 349.521 3.624 20 0 EHADLO CCc1ncc(C[N@H+](Cc2cccnc2)Cc2ccccc2C)cn1 ZINC000414446711 1027419272 /nfs/dbraw/zinc/41/92/72/1027419272.db2.gz YLUCUMIAXYGRJV-UHFFFAOYSA-N 1 2 332.451 3.945 20 0 EHADLO CCc1ncc(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)cn1 ZINC000414446711 1027419290 /nfs/dbraw/zinc/41/92/90/1027419290.db2.gz YLUCUMIAXYGRJV-UHFFFAOYSA-N 1 2 332.451 3.945 20 0 EHADLO Cc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)sc1C ZINC000026215188 1027435326 /nfs/dbraw/zinc/43/53/26/1027435326.db2.gz SKBOOFIZJLPOOH-UHFFFAOYSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)nc(C2CC2)[nH+]1 ZINC000664299984 1027441134 /nfs/dbraw/zinc/44/11/34/1027441134.db2.gz AUWZTHKASPEDQB-GFCCVEGCSA-N 1 2 349.360 3.813 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000128757079 1027476765 /nfs/dbraw/zinc/47/67/65/1027476765.db2.gz PVPHRMBVILZTHG-AWEZNQCLSA-N 1 2 334.510 3.648 20 0 EHADLO CC(C)c1nc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273550212 1027487913 /nfs/dbraw/zinc/48/79/13/1027487913.db2.gz VENSNADSAKUTLH-HOTGVXAUSA-N 1 2 333.407 3.684 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273550212 1027487927 /nfs/dbraw/zinc/48/79/27/1027487927.db2.gz VENSNADSAKUTLH-HOTGVXAUSA-N 1 2 333.407 3.684 20 0 EHADLO CCC(CC)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000105004838 1027493374 /nfs/dbraw/zinc/49/33/74/1027493374.db2.gz IITJSJZVNNVWLS-HZPDHXFCSA-N 1 2 347.503 3.854 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000128944441 1027503919 /nfs/dbraw/zinc/50/39/19/1027503919.db2.gz FFEMPWTWMJVAHI-CYBMUJFWSA-N 1 2 334.872 3.921 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCc3ccc(Br)cc3C2)c1C ZINC000342835353 1027545842 /nfs/dbraw/zinc/54/58/42/1027545842.db2.gz DNWCAXHBAPRHBT-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCc3ccc(Br)cc3C2)c1C ZINC000342835353 1027545852 /nfs/dbraw/zinc/54/58/52/1027545852.db2.gz DNWCAXHBAPRHBT-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO Brc1cncc(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000342834272 1027556766 /nfs/dbraw/zinc/55/67/66/1027556766.db2.gz JGNOOBQIFFGJQA-UHFFFAOYSA-N 1 2 349.276 3.737 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)s1 ZINC000273687272 1027562135 /nfs/dbraw/zinc/56/21/35/1027562135.db2.gz LHPXGECWPWYWRC-RYUDHWBXSA-N 1 2 340.452 3.678 20 0 EHADLO Fc1ccc([C@@H]2C[C@H]2Nc2cc[nH+]c(OC3CCOCC3)c2)cc1F ZINC001168070905 1027586459 /nfs/dbraw/zinc/58/64/59/1027586459.db2.gz YHIGLUDLUYYXLL-MAUKXSAKSA-N 1 2 346.377 3.886 20 0 EHADLO O=C(COC/C=C/c1ccccc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000129709093 1027593923 /nfs/dbraw/zinc/59/39/23/1027593923.db2.gz PARTWWHYQOCPDZ-RMKNXTFCSA-N 1 2 333.391 3.541 20 0 EHADLO CCCCO[C@@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273749765 1027599072 /nfs/dbraw/zinc/59/90/72/1027599072.db2.gz NFIHVPGHSSXBDM-AWEZNQCLSA-N 1 2 326.400 3.859 20 0 EHADLO Brc1cncc(NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000078264643 1027604781 /nfs/dbraw/zinc/60/47/81/1027604781.db2.gz OJBKJIQPFOJMKT-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO C[NH2+]Cc1noc([C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000414645353 1027670238 /nfs/dbraw/zinc/67/02/38/1027670238.db2.gz QQWKZUVSRHCHPK-RISCZKNCSA-N 1 2 342.226 3.731 20 0 EHADLO CC[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000434190011 1027670478 /nfs/dbraw/zinc/67/04/78/1027670478.db2.gz GJJJSNOANCPCML-KRWDZBQOSA-N 1 2 346.519 3.933 20 0 EHADLO Cn1c(C[NH2+]Cc2cccc(OC3CC3)c2F)nc2ccccc21 ZINC000657620924 1027681597 /nfs/dbraw/zinc/68/15/97/1027681597.db2.gz UVABSVDHUNVVCX-UHFFFAOYSA-N 1 2 325.387 3.543 20 0 EHADLO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000503276891 1027700713 /nfs/dbraw/zinc/70/07/13/1027700713.db2.gz SOGXLESHANPGGD-NWDGAFQWSA-N 1 2 340.345 3.649 20 0 EHADLO Cc1cc(CNC(=O)NCCCc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000420784209 1027728178 /nfs/dbraw/zinc/72/81/78/1027728178.db2.gz XFQLFBUDHNSJRL-UHFFFAOYSA-N 1 2 331.847 3.784 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)c1 ZINC000282011324 1027760890 /nfs/dbraw/zinc/76/08/90/1027760890.db2.gz OLHIFPRAMCDKPT-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)c1 ZINC000282011324 1027760906 /nfs/dbraw/zinc/76/09/06/1027760906.db2.gz OLHIFPRAMCDKPT-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868475 1027768724 /nfs/dbraw/zinc/76/87/24/1027768724.db2.gz MWZSWNMLSFBKNX-KRWDZBQOSA-N 1 2 334.822 3.740 20 0 EHADLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868475 1027768735 /nfs/dbraw/zinc/76/87/35/1027768735.db2.gz MWZSWNMLSFBKNX-KRWDZBQOSA-N 1 2 334.822 3.740 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1[C@H]2CCCCCC[C@H]12 ZINC000665838324 1027769317 /nfs/dbraw/zinc/76/93/17/1027769317.db2.gz XUVKOZPDFVFUBM-OALUTQOASA-N 1 2 337.467 3.764 20 0 EHADLO Cc1cc(CNC(=O)NCc2cc(F)c(Cl)cc2F)cc(C)[nH+]1 ZINC000420839470 1027781884 /nfs/dbraw/zinc/78/18/84/1027781884.db2.gz MXCIJFHCIQDYQT-UHFFFAOYSA-N 1 2 339.773 3.629 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc(C)[nH+]1 ZINC000420840755 1027784560 /nfs/dbraw/zinc/78/45/60/1027784560.db2.gz BHXKQVHNNRJWKP-FXAWDEMLSA-N 1 2 337.467 3.861 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000420847961 1027789002 /nfs/dbraw/zinc/78/90/02/1027789002.db2.gz LHEQJKUSMOYHKS-QGZVFWFLSA-N 1 2 327.403 3.537 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000420850376 1027795427 /nfs/dbraw/zinc/79/54/27/1027795427.db2.gz PNWKNMHFWSOBQT-HXUWFJFHSA-N 1 2 337.467 3.960 20 0 EHADLO Cc1cc(CNC(=O)NCCc2c[nH]c3c2cccc3C)cc(C)[nH+]1 ZINC000420856992 1027803863 /nfs/dbraw/zinc/80/38/63/1027803863.db2.gz ZDHLAXBAALVSJS-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459384966 1027834500 /nfs/dbraw/zinc/83/45/00/1027834500.db2.gz JGMVZDVTEJXJLP-KVSKMBFKSA-N 1 2 345.487 3.636 20 0 EHADLO c1nc(N2CCC(OC3CCCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000110392642 1027868353 /nfs/dbraw/zinc/86/83/53/1027868353.db2.gz CVGPGMSWZXPNQM-UHFFFAOYSA-N 1 2 344.503 3.785 20 0 EHADLO c1nc(N2CCCCC2)cc(N2CCC(OC3CCCCC3)CC2)[nH+]1 ZINC000110392642 1027868374 /nfs/dbraw/zinc/86/83/74/1027868374.db2.gz CVGPGMSWZXPNQM-UHFFFAOYSA-N 1 2 344.503 3.785 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420929173 1027877829 /nfs/dbraw/zinc/87/78/29/1027877829.db2.gz QAQRDSCWWBDRJM-ZIAGYGMSSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420929173 1027877847 /nfs/dbraw/zinc/87/78/47/1027877847.db2.gz QAQRDSCWWBDRJM-ZIAGYGMSSA-N 1 2 336.476 3.914 20 0 EHADLO CC(C)OCc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000359938438 1027881286 /nfs/dbraw/zinc/88/12/86/1027881286.db2.gz UTLBWOGQWXWYCC-MRXNPFEDSA-N 1 2 342.443 3.746 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccc(F)c(F)c1 ZINC000420941362 1027895633 /nfs/dbraw/zinc/89/56/33/1027895633.db2.gz FNQCITDRSHIIFG-JTQLQIEISA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccc(F)c(F)c1 ZINC000420941362 1027895649 /nfs/dbraw/zinc/89/56/49/1027895649.db2.gz FNQCITDRSHIIFG-JTQLQIEISA-N 1 2 336.304 3.568 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246172087 1027903718 /nfs/dbraw/zinc/90/37/18/1027903718.db2.gz RUEPIWBZLKEBLA-HDMKZQKVSA-N 1 2 345.874 3.825 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)o1 ZINC000111202429 1027913532 /nfs/dbraw/zinc/91/35/32/1027913532.db2.gz UOPGFGBUEPSXSQ-LLVKDONJSA-N 1 2 337.370 3.515 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956708 1027924278 /nfs/dbraw/zinc/92/42/78/1027924278.db2.gz YWJTXPFCACVTNU-WDEREUQCSA-N 1 2 349.784 3.726 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956708 1027924287 /nfs/dbraw/zinc/92/42/87/1027924287.db2.gz YWJTXPFCACVTNU-WDEREUQCSA-N 1 2 349.784 3.726 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956706 1027925317 /nfs/dbraw/zinc/92/53/17/1027925317.db2.gz YWJTXPFCACVTNU-QWRGUYRKSA-N 1 2 349.784 3.726 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956706 1027925333 /nfs/dbraw/zinc/92/53/33/1027925333.db2.gz YWJTXPFCACVTNU-QWRGUYRKSA-N 1 2 349.784 3.726 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)on1 ZINC000503593679 1027937070 /nfs/dbraw/zinc/93/70/70/1027937070.db2.gz BTZLGDGCLWYCAT-ZDUSSCGKSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)on1 ZINC000503593679 1027937084 /nfs/dbraw/zinc/93/70/84/1027937084.db2.gz BTZLGDGCLWYCAT-ZDUSSCGKSA-N 1 2 345.418 3.539 20 0 EHADLO Cc1ccc(-n2cc(NC(=O)NCc3c[nH+]c(C)cc3C)cn2)c(C)c1 ZINC000455247378 1027946315 /nfs/dbraw/zinc/94/63/15/1027946315.db2.gz GPEKVJMYFOWDOQ-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000078546412 1027959028 /nfs/dbraw/zinc/95/90/28/1027959028.db2.gz DCWRNLMSBBLXAP-UHFFFAOYSA-N 1 2 336.391 3.628 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@@H](CC(F)F)c3ccccc3)n2)c1 ZINC000420994999 1027973637 /nfs/dbraw/zinc/97/36/37/1027973637.db2.gz OBHJBUSQWCCXNK-AWEZNQCLSA-N 1 2 344.365 3.926 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1C(F)(F)F ZINC000533487396 1027976843 /nfs/dbraw/zinc/97/68/43/1027976843.db2.gz NJONQOKGEIGMBI-OAHLLOKOSA-N 1 2 337.345 3.809 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1C(F)(F)F ZINC000533487396 1027976862 /nfs/dbraw/zinc/97/68/62/1027976862.db2.gz NJONQOKGEIGMBI-OAHLLOKOSA-N 1 2 337.345 3.809 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3CCCCCC3)CC2)cc1 ZINC000523157906 1027995827 /nfs/dbraw/zinc/99/58/27/1027995827.db2.gz XJTPZFNRWGENEQ-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2(C)CCC2)c(C)c1 ZINC000533527856 1028019883 /nfs/dbraw/zinc/01/98/83/1028019883.db2.gz ISSMKONLBURLAX-SFHVURJKSA-N 1 2 340.471 3.731 20 0 EHADLO Cc1csc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000455360359 1028067723 /nfs/dbraw/zinc/06/77/23/1028067723.db2.gz UFUFUKUCJFVQLS-CQSZACIVSA-N 1 2 349.525 3.706 20 0 EHADLO c1ccc(C2([NH2+]Cc3nc(C4CCCC4)no3)CCOCC2)cc1 ZINC000533557271 1028077166 /nfs/dbraw/zinc/07/71/66/1028077166.db2.gz CYERQNNJCJSAKL-UHFFFAOYSA-N 1 2 327.428 3.523 20 0 EHADLO COc1cc(Cl)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1C ZINC000421111619 1028095352 /nfs/dbraw/zinc/09/53/52/1028095352.db2.gz PYHIJPGIRODLLN-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO [NH3+][C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)c1c(F)cccc1F ZINC000422977352 1028105041 /nfs/dbraw/zinc/10/50/41/1028105041.db2.gz JTADTWBFZZTVIK-SFHVURJKSA-N 1 2 346.377 3.925 20 0 EHADLO CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423008557 1028120836 /nfs/dbraw/zinc/12/08/36/1028120836.db2.gz TWXXCYDOUFMUEB-KPZWWZAWSA-N 1 2 348.393 3.629 20 0 EHADLO COc1ccc(OCc2nc(C[NH+]3CC(C4CC4)C3)cs2)cc1 ZINC000643345314 1028136899 /nfs/dbraw/zinc/13/68/99/1028136899.db2.gz OVLZPAWPMLGNGK-UHFFFAOYSA-N 1 2 330.453 3.573 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711771 1028192763 /nfs/dbraw/zinc/19/27/63/1028192763.db2.gz VJECITJTGCBAGR-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711771 1028192773 /nfs/dbraw/zinc/19/27/73/1028192773.db2.gz VJECITJTGCBAGR-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO Cc1ccc(O[C@@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455478459 1028212780 /nfs/dbraw/zinc/21/27/80/1028212780.db2.gz FYNQVXYGLJDXIE-HNNXBMFYSA-N 1 2 327.428 3.904 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1F ZINC000444740544 1028224955 /nfs/dbraw/zinc/22/49/55/1028224955.db2.gz XQHKORCXEMXVIN-ZDUSSCGKSA-N 1 2 325.387 3.976 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1F ZINC000444740544 1028224973 /nfs/dbraw/zinc/22/49/73/1028224973.db2.gz XQHKORCXEMXVIN-ZDUSSCGKSA-N 1 2 325.387 3.976 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455493833 1028226029 /nfs/dbraw/zinc/22/60/29/1028226029.db2.gz CYVYPJMDSGAUSP-MRXNPFEDSA-N 1 2 343.402 3.964 20 0 EHADLO CC[C@@H](C)Oc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccn1 ZINC000455495908 1028227417 /nfs/dbraw/zinc/22/74/17/1028227417.db2.gz OORGURNPXDCGIC-CQSZACIVSA-N 1 2 342.443 3.901 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000444743518 1028228168 /nfs/dbraw/zinc/22/81/68/1028228168.db2.gz ZKABTUWIURYOBS-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000444743518 1028228180 /nfs/dbraw/zinc/22/81/80/1028228180.db2.gz ZKABTUWIURYOBS-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(OCC(F)F)c2)c(C)[nH+]1 ZINC000455483873 1028249339 /nfs/dbraw/zinc/24/93/39/1028249339.db2.gz QPDMBRBZCQGGLH-UHFFFAOYSA-N 1 2 349.381 3.972 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN(CC(F)F)CC1 ZINC000503958265 1028263506 /nfs/dbraw/zinc/26/35/06/1028263506.db2.gz PERYCEOTSZKVJB-JLHYYAGUSA-N 1 2 348.359 3.991 20 0 EHADLO CCc1ccc([C@H]2COCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000455492802 1028264774 /nfs/dbraw/zinc/26/47/74/1028264774.db2.gz LLHNZPCVSOBMRY-MRXNPFEDSA-N 1 2 343.427 3.768 20 0 EHADLO CCc1oc2ccccc2c1C[NH2+]Cc1n[nH]cc1Br ZINC000523391374 1028270255 /nfs/dbraw/zinc/27/02/55/1028270255.db2.gz QXEDUAMWFIRBDG-UHFFFAOYSA-N 1 2 334.217 3.771 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H](CC2CC2)C1 ZINC000454280329 1028281858 /nfs/dbraw/zinc/28/18/58/1028281858.db2.gz ZWYOARDKDFHMSM-OAHLLOKOSA-N 1 2 348.516 3.783 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H](CC2CC2)C1 ZINC000454280327 1028282830 /nfs/dbraw/zinc/28/28/30/1028282830.db2.gz ZWYOARDKDFHMSM-HNNXBMFYSA-N 1 2 348.516 3.783 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3sccc3C)CC2)s1 ZINC000523400267 1028287608 /nfs/dbraw/zinc/28/76/08/1028287608.db2.gz OOVDORNKWMORJJ-UHFFFAOYSA-N 1 2 334.510 3.638 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1cn2cccnc2n1 ZINC000444790105 1028287640 /nfs/dbraw/zinc/28/76/40/1028287640.db2.gz HMFXEGWBYDNEFH-OAHLLOKOSA-N 1 2 334.345 3.821 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3cccs3)CC2)s1 ZINC000523398410 1028288296 /nfs/dbraw/zinc/28/82/96/1028288296.db2.gz PAKBJARFDBVEHH-CQSZACIVSA-N 1 2 348.537 3.820 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)c(C)[nH+]1 ZINC000455511620 1028289291 /nfs/dbraw/zinc/28/92/91/1028289291.db2.gz HPMDUTMCELIJLT-SFHVURJKSA-N 1 2 349.438 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)c(C)[nH+]1 ZINC000455525453 1028298923 /nfs/dbraw/zinc/29/89/23/1028298923.db2.gz PCMQMTILPRGPHS-UHFFFAOYSA-N 1 2 337.423 3.792 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c(C)[nH+]1 ZINC000455526537 1028301661 /nfs/dbraw/zinc/30/16/61/1028301661.db2.gz PWVBGOAXVSUQLM-CHWSQXEVSA-N 1 2 327.375 3.679 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680764 1028308390 /nfs/dbraw/zinc/30/83/90/1028308390.db2.gz DLNDAQFMHLOBHU-WBVHZDCISA-N 1 2 326.843 3.921 20 0 EHADLO CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680764 1028308409 /nfs/dbraw/zinc/30/84/09/1028308409.db2.gz DLNDAQFMHLOBHU-WBVHZDCISA-N 1 2 326.843 3.921 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2Cc2ccccc2C)c[nH+]1 ZINC000455536849 1028313938 /nfs/dbraw/zinc/31/39/38/1028313938.db2.gz BYMWLDAJEMUPQE-FQEVSTJZSA-N 1 2 337.467 3.924 20 0 EHADLO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1ccsc1 ZINC000421366778 1028319168 /nfs/dbraw/zinc/31/91/68/1028319168.db2.gz CSTSYBHVMCMGQJ-OAHLLOKOSA-N 1 2 341.484 3.755 20 0 EHADLO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1ccsc1 ZINC000421366778 1028319188 /nfs/dbraw/zinc/31/91/88/1028319188.db2.gz CSTSYBHVMCMGQJ-OAHLLOKOSA-N 1 2 341.484 3.755 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(Cl)c1 ZINC000056516379 1028328802 /nfs/dbraw/zinc/32/88/02/1028328802.db2.gz ZRJDBEJDONAVIA-UHFFFAOYSA-N 1 2 326.787 3.847 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000523436226 1028330395 /nfs/dbraw/zinc/33/03/95/1028330395.db2.gz HIQXINFWGYWLOM-IBGZPJMESA-N 1 2 344.405 3.874 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(F)F)C2)n1 ZINC000066962092 1028349766 /nfs/dbraw/zinc/34/97/66/1028349766.db2.gz YLECPSFDTKHTMB-LBPRGKRZSA-N 1 2 347.369 3.502 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(F)F)C2)n1 ZINC000066962092 1028349779 /nfs/dbraw/zinc/34/97/79/1028349779.db2.gz YLECPSFDTKHTMB-LBPRGKRZSA-N 1 2 347.369 3.502 20 0 EHADLO CC(C)(C)c1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000067792774 1028374770 /nfs/dbraw/zinc/37/47/70/1028374770.db2.gz KXTDVABPPUHOPI-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000582974235 1028416484 /nfs/dbraw/zinc/41/64/84/1028416484.db2.gz WDLXODVBKZKTSH-MRXNPFEDSA-N 1 2 343.471 3.782 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000582974235 1028416495 /nfs/dbraw/zinc/41/64/95/1028416495.db2.gz WDLXODVBKZKTSH-MRXNPFEDSA-N 1 2 343.471 3.782 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)C1(Cc2ccccc2)CCC1 ZINC000582982356 1028430075 /nfs/dbraw/zinc/43/00/75/1028430075.db2.gz UBWCZSNSIQVBAW-UHFFFAOYSA-N 1 2 346.434 3.678 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCc3c(F)cccc32)c[nH+]1 ZINC000455553545 1028434256 /nfs/dbraw/zinc/43/42/56/1028434256.db2.gz CQWQVHIHXLDNLT-SFHVURJKSA-N 1 2 327.403 3.714 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1cccs1 ZINC000070754240 1028460807 /nfs/dbraw/zinc/46/08/07/1028460807.db2.gz CPIYGEFYTTWRMC-KSSFIOAISA-N 1 2 340.448 3.725 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(F)cc2Cl)c[nH+]1 ZINC000455562143 1028475701 /nfs/dbraw/zinc/47/57/01/1028475701.db2.gz RKFQTFZWSLKEFU-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000153657020 1028501737 /nfs/dbraw/zinc/50/17/37/1028501737.db2.gz MMFIYNUPZSQQLL-KRWDZBQOSA-N 1 2 349.434 3.528 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000475926761 1028513568 /nfs/dbraw/zinc/51/35/68/1028513568.db2.gz OICHEDHPHASXSQ-GJZGRUSLSA-N 1 2 349.544 3.772 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000475926761 1028513586 /nfs/dbraw/zinc/51/35/86/1028513586.db2.gz OICHEDHPHASXSQ-GJZGRUSLSA-N 1 2 349.544 3.772 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573630 1028566995 /nfs/dbraw/zinc/56/69/95/1028566995.db2.gz BSWWKTSXVJKVFZ-MRXNPFEDSA-N 1 2 332.831 3.826 20 0 EHADLO CC[C@H](C)n1ncc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1C1CC1 ZINC000421578888 1028572311 /nfs/dbraw/zinc/57/23/11/1028572311.db2.gz SFHSMFVZEAXCDF-AWEZNQCLSA-N 1 2 326.444 3.673 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000195047381 1028572464 /nfs/dbraw/zinc/57/24/64/1028572464.db2.gz PUTHIUYLGXCDRL-QGZVFWFLSA-N 1 2 338.432 3.809 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122284736 1028604217 /nfs/dbraw/zinc/60/42/17/1028604217.db2.gz FFUUTMMFSYWYDJ-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122284736 1028604224 /nfs/dbraw/zinc/60/42/24/1028604224.db2.gz FFUUTMMFSYWYDJ-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1F ZINC000523789488 1028606240 /nfs/dbraw/zinc/60/62/40/1028606240.db2.gz PAUDEAHTLPGFLQ-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1F ZINC000523789488 1028606246 /nfs/dbraw/zinc/60/62/46/1028606246.db2.gz PAUDEAHTLPGFLQ-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000026000417 1028614794 /nfs/dbraw/zinc/61/47/94/1028614794.db2.gz ANDCGRAUKQPAKW-UHFFFAOYSA-N 1 2 349.356 3.631 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000523782250 1028616682 /nfs/dbraw/zinc/61/66/82/1028616682.db2.gz KGHVKOUDHSXBTE-UHFFFAOYSA-N 1 2 330.432 3.662 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000074564776 1028624289 /nfs/dbraw/zinc/62/42/89/1028624289.db2.gz WQPNNAXFRDDGNR-MRXNPFEDSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000245422185 1028707362 /nfs/dbraw/zinc/70/73/62/1028707362.db2.gz PERNBIVGLBXLGT-UIAACRFSSA-N 1 2 333.435 3.592 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000523902515 1028708689 /nfs/dbraw/zinc/70/86/89/1028708689.db2.gz MIIDLJJWRRZFPP-UHFFFAOYSA-N 1 2 348.878 3.937 20 0 EHADLO Cc1cccc2nc(C[N@@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000245474356 1028723650 /nfs/dbraw/zinc/72/36/50/1028723650.db2.gz QWYRNUPWONFUBM-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccc2nc(C[N@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000245474356 1028723658 /nfs/dbraw/zinc/72/36/58/1028723658.db2.gz QWYRNUPWONFUBM-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO CCC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000454314593 1028754759 /nfs/dbraw/zinc/75/47/59/1028754759.db2.gz JHICZTTVYCEWJZ-SFHVURJKSA-N 1 2 342.487 3.945 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2c(F)cccc2F)CCC1 ZINC000421759717 1028760053 /nfs/dbraw/zinc/76/00/53/1028760053.db2.gz VKDQFECIQGXTSG-UHFFFAOYSA-N 1 2 345.393 3.516 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1Cl ZINC000504586750 1028764562 /nfs/dbraw/zinc/76/45/62/1028764562.db2.gz OMEPLSBVELNJAU-UKRRQHHQSA-N 1 2 329.831 3.754 20 0 EHADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454336209 1028764771 /nfs/dbraw/zinc/76/47/71/1028764771.db2.gz ZRZJIJIZFINSIX-UYAOXDASSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000454337504 1028766559 /nfs/dbraw/zinc/76/65/59/1028766559.db2.gz NPRGJQJKNAZIDK-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC[C@H]1c1ccccc1 ZINC000569620771 1028772276 /nfs/dbraw/zinc/77/22/76/1028772276.db2.gz FMWBRZGHPRFXON-GPMSIDNRSA-N 1 2 325.456 3.631 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccccc1 ZINC000569620771 1028772293 /nfs/dbraw/zinc/77/22/93/1028772293.db2.gz FMWBRZGHPRFXON-GPMSIDNRSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000583087403 1028780797 /nfs/dbraw/zinc/78/07/97/1028780797.db2.gz UEXIFARPYUBBKK-RDTXWAMCSA-N 1 2 327.403 3.726 20 0 EHADLO COc1ccc2cc(C[NH2+]Cc3nnc(C4CC4)s3)ccc2c1 ZINC000414553204 1028786789 /nfs/dbraw/zinc/78/67/89/1028786789.db2.gz INUUGEVCXSBQQI-UHFFFAOYSA-N 1 2 325.437 3.867 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000079503268 1028795185 /nfs/dbraw/zinc/79/51/85/1028795185.db2.gz ONZPQFSEEIWYBJ-QGZVFWFLSA-N 1 2 343.471 3.591 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000079503268 1028795188 /nfs/dbraw/zinc/79/51/88/1028795188.db2.gz ONZPQFSEEIWYBJ-QGZVFWFLSA-N 1 2 343.471 3.591 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000079503457 1028795678 /nfs/dbraw/zinc/79/56/78/1028795678.db2.gz BFTXOTNWRMISLO-GOSISDBHSA-N 1 2 346.496 3.513 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000079503457 1028795691 /nfs/dbraw/zinc/79/56/91/1028795691.db2.gz BFTXOTNWRMISLO-GOSISDBHSA-N 1 2 346.496 3.513 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccnc2)no1 ZINC000123055910 1028802984 /nfs/dbraw/zinc/80/29/84/1028802984.db2.gz GFMQGJIQAMXQDE-KBPBESRZSA-N 1 2 338.411 3.860 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)csc2C1 ZINC000247690921 1028811825 /nfs/dbraw/zinc/81/18/25/1028811825.db2.gz SPSLCXAYJJMRKU-KEYYUXOJSA-N 1 2 343.496 3.793 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025413002 1028823256 /nfs/dbraw/zinc/82/32/56/1028823256.db2.gz YQGNGSAXEPGGHZ-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO CC(=O)N(Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1)C(C)C ZINC000424139660 1028829725 /nfs/dbraw/zinc/82/97/25/1028829725.db2.gz DPWOSFLUXJEYLL-UHFFFAOYSA-N 1 2 328.460 3.833 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)o1 ZINC000247988091 1028836966 /nfs/dbraw/zinc/83/69/66/1028836966.db2.gz ZNEKMBYRJDKZRS-UHFFFAOYSA-N 1 2 338.407 3.846 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)o1 ZINC000247988091 1028836981 /nfs/dbraw/zinc/83/69/81/1028836981.db2.gz ZNEKMBYRJDKZRS-UHFFFAOYSA-N 1 2 338.407 3.846 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cccc(C(=O)N2CCCCC2)c1 ZINC000424153037 1028841538 /nfs/dbraw/zinc/84/15/38/1028841538.db2.gz KMJIDRUDCNMDTC-UHFFFAOYSA-N 1 2 326.444 3.702 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000445488993 1028851996 /nfs/dbraw/zinc/85/19/96/1028851996.db2.gz XLZBTJUEGQGLED-QHCPKHFHSA-N 1 2 332.375 3.517 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(NCc2c[nH+]cn2C(C)C)c(C)c1 ZINC000424167746 1028865561 /nfs/dbraw/zinc/86/55/61/1028865561.db2.gz HOAZMPCMZRAPPB-HNNXBMFYSA-N 1 2 328.460 3.913 20 0 EHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1C(=O)N(C)C(C)C ZINC000424190054 1028878441 /nfs/dbraw/zinc/87/84/41/1028878441.db2.gz LPJOMAXSCRNRTG-UHFFFAOYSA-N 1 2 328.460 3.865 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1F ZINC000445541550 1028901432 /nfs/dbraw/zinc/90/14/32/1028901432.db2.gz VVPJPWPMAWNGDM-XMMPIXPASA-N 1 2 346.402 3.659 20 0 EHADLO Cc1nc2ccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)cc2s1 ZINC000524160172 1028928099 /nfs/dbraw/zinc/92/80/99/1028928099.db2.gz KQRLVQATWQCVGW-UHFFFAOYSA-N 1 2 336.420 3.742 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475631836 1028941995 /nfs/dbraw/zinc/94/19/95/1028941995.db2.gz PDTBOQOJEMLGCK-GDBMZVCRSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475631836 1028942000 /nfs/dbraw/zinc/94/20/00/1028942000.db2.gz PDTBOQOJEMLGCK-GDBMZVCRSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](C3CCCC3)C1)C2 ZINC000421951967 1028957756 /nfs/dbraw/zinc/95/77/56/1028957756.db2.gz QZOIEFPHZZROEF-HOTGVXAUSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](C3CCCC3)C1)CC2 ZINC000421951967 1028957771 /nfs/dbraw/zinc/95/77/71/1028957771.db2.gz QZOIEFPHZZROEF-HOTGVXAUSA-N 1 2 329.488 3.677 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2nccc3ccccc32)s1 ZINC000424330905 1028978658 /nfs/dbraw/zinc/97/86/58/1028978658.db2.gz RJLJYWLYYIBLIA-VXGBXAGGSA-N 1 2 341.436 3.890 20 0 EHADLO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000524201139 1028980300 /nfs/dbraw/zinc/98/03/00/1028980300.db2.gz DMQLMVVGZPCRDG-KRWDZBQOSA-N 1 2 328.460 3.674 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cnn4ccccc34)C2)c1 ZINC000503032250 1028999366 /nfs/dbraw/zinc/99/93/66/1028999366.db2.gz LFVHLIVSVIOJHD-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cnn4ccccc34)C2)c1 ZINC000503032250 1028999381 /nfs/dbraw/zinc/99/93/81/1028999381.db2.gz LFVHLIVSVIOJHD-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000249384504 1029002026 /nfs/dbraw/zinc/00/20/26/1029002026.db2.gz XXXHNRZNRWPRMO-ZIAGYGMSSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000249384504 1029002044 /nfs/dbraw/zinc/00/20/44/1029002044.db2.gz XXXHNRZNRWPRMO-ZIAGYGMSSA-N 1 2 346.862 3.578 20 0 EHADLO C[C@@H](OCCCNC(=O)C[N@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000249839819 1029024716 /nfs/dbraw/zinc/02/47/16/1029024716.db2.gz VIFFXJPJPMPMCR-IAGOWNOFSA-N 1 2 344.455 3.557 20 0 EHADLO C[C@@H](OCCCNC(=O)C[N@@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000249839819 1029024731 /nfs/dbraw/zinc/02/47/31/1029024731.db2.gz VIFFXJPJPMPMCR-IAGOWNOFSA-N 1 2 344.455 3.557 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC001126755551 1029050101 /nfs/dbraw/zinc/05/01/01/1029050101.db2.gz CCQOAEVTIKTGFM-IAQYHMDHSA-N 1 2 349.425 3.954 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(OC(F)F)c2cccnc12)n1cc[nH+]c1 ZINC001269638361 1029057524 /nfs/dbraw/zinc/05/75/24/1029057524.db2.gz UIMWHKSZRMUVIV-NSHDSACASA-N 1 2 346.337 3.623 20 0 EHADLO COc1ccc(N(CC(C)C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000422071639 1029058855 /nfs/dbraw/zinc/05/88/55/1029058855.db2.gz OHWWLXUETJZIKS-INIZCTEOSA-N 1 2 327.428 3.527 20 0 EHADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569519 1029071268 /nfs/dbraw/zinc/07/12/68/1029071268.db2.gz IMHDMCMHXYPGBA-RKDXNWHRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000414569519 1029071288 /nfs/dbraw/zinc/07/12/88/1029071288.db2.gz IMHDMCMHXYPGBA-RKDXNWHRSA-N 1 2 338.698 3.757 20 0 EHADLO CCCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000077679363 1029137706 /nfs/dbraw/zinc/13/77/06/1029137706.db2.gz AJWJAVWHIHROCY-HOTGVXAUSA-N 1 2 333.476 3.560 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000271734703 1029146301 /nfs/dbraw/zinc/14/63/01/1029146301.db2.gz ZGXFLUYOGDIMEQ-VIFPVBQESA-N 1 2 331.363 3.806 20 0 EHADLO CN1CCCN(Cc2c[nH+]cn2Cc2ccccc2)c2ccccc21 ZINC000445813907 1029151207 /nfs/dbraw/zinc/15/12/07/1029151207.db2.gz OWFNRHGZSQHYHA-UHFFFAOYSA-N 1 2 332.451 3.778 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000524414904 1029166370 /nfs/dbraw/zinc/16/63/70/1029166370.db2.gz FPPCOUSXWZCPLJ-FUHWJXTLSA-N 1 2 325.456 3.878 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cs1 ZINC000271796143 1029174171 /nfs/dbraw/zinc/17/41/71/1029174171.db2.gz KCAREWOPUJKYFK-ZBFHGGJFSA-N 1 2 343.496 3.718 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cs1 ZINC000252442305 1029186442 /nfs/dbraw/zinc/18/64/42/1029186442.db2.gz UXHRZPMKAHNWDJ-HZSPNIEDSA-N 1 2 343.496 3.722 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c(C)o1 ZINC000533012739 1029195280 /nfs/dbraw/zinc/19/52/80/1029195280.db2.gz IOHPYDTZALATTL-LJQANCHMSA-N 1 2 336.391 3.649 20 0 EHADLO CC(C)CCOc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000524467567 1029216115 /nfs/dbraw/zinc/21/61/15/1029216115.db2.gz BCUXNSHTLGNVES-UHFFFAOYSA-N 1 2 341.455 3.739 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CCC[C@H](F)C1 ZINC000424659651 1029222666 /nfs/dbraw/zinc/22/26/66/1029222666.db2.gz IFERPJJJYGALOL-IRXDYDNUSA-N 1 2 333.451 3.607 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245740734 1029223232 /nfs/dbraw/zinc/22/32/32/1029223232.db2.gz LTULBAABHVCGDN-MDZRGWNJSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245740734 1029223248 /nfs/dbraw/zinc/22/32/48/1029223248.db2.gz LTULBAABHVCGDN-MDZRGWNJSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424683865 1029234166 /nfs/dbraw/zinc/23/41/66/1029234166.db2.gz RARLLPVHMJVIOO-QAPCUYQASA-N 1 2 330.472 3.592 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000583207923 1029245559 /nfs/dbraw/zinc/24/55/59/1029245559.db2.gz PENKZNFMNYXQHB-UONOGXRCSA-N 1 2 349.837 3.860 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000505106585 1029245697 /nfs/dbraw/zinc/24/56/97/1029245697.db2.gz BBRACAACNCJZIU-APWZRJJASA-N 1 2 342.487 3.921 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1OC(F)F ZINC000161769691 1029284464 /nfs/dbraw/zinc/28/44/64/1029284464.db2.gz WKTHBCQLUGQLMX-UHFFFAOYSA-N 1 2 329.306 3.930 20 0 EHADLO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@@H](CO)c1ccccc1 ZINC000343122231 1029320059 /nfs/dbraw/zinc/32/00/59/1029320059.db2.gz SUZOJCQOILRWSE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@@H](CO)c1ccccc1 ZINC000343122231 1029320077 /nfs/dbraw/zinc/32/00/77/1029320077.db2.gz SUZOJCQOILRWSE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO O=C(Nc1ccccc1Cl)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154859861 1029328045 /nfs/dbraw/zinc/32/80/45/1029328045.db2.gz VQHPLIHIGJLOQW-CYBMUJFWSA-N 1 2 330.819 3.526 20 0 EHADLO CCC1(CC)CN(C(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000533107163 1029335831 /nfs/dbraw/zinc/33/58/31/1029335831.db2.gz ONQBBSUUHAIAML-UHFFFAOYSA-N 1 2 340.471 3.951 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000459385383 1029341808 /nfs/dbraw/zinc/34/18/08/1029341808.db2.gz HFFQJKMZGPVRAO-MRXNPFEDSA-N 1 2 343.427 3.707 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000459385383 1029341821 /nfs/dbraw/zinc/34/18/21/1029341821.db2.gz HFFQJKMZGPVRAO-MRXNPFEDSA-N 1 2 343.427 3.707 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C12CCC2 ZINC000245826327 1029344099 /nfs/dbraw/zinc/34/40/99/1029344099.db2.gz AZDCIOUEXLKEEW-HYVNUMGLSA-N 1 2 341.455 3.659 20 0 EHADLO O=C(NC1CC(c2cccc(F)c2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000357670584 1029350157 /nfs/dbraw/zinc/35/01/57/1029350157.db2.gz FISMQZUHHWKANN-UHFFFAOYSA-N 1 2 349.409 3.747 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc3occc32)no1 ZINC001211571146 1029355647 /nfs/dbraw/zinc/35/56/47/1029355647.db2.gz LQCYCHCNMMKQHO-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc3occc32)no1 ZINC001211571146 1029355661 /nfs/dbraw/zinc/35/56/61/1029355661.db2.gz LQCYCHCNMMKQHO-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c[nH+]1 ZINC000455582591 1029364120 /nfs/dbraw/zinc/36/41/20/1029364120.db2.gz ZLMCRGPPDYOKML-TZMCWYRMSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2c3cccc4cccc(c34)C2=O)on1 ZINC000054515212 1029400981 /nfs/dbraw/zinc/40/09/81/1029400981.db2.gz SLJZICUKPJKNII-INIZCTEOSA-N 1 2 333.391 3.891 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CN2c3cccc4cccc(c34)C2=O)on1 ZINC000054515212 1029400991 /nfs/dbraw/zinc/40/09/91/1029400991.db2.gz SLJZICUKPJKNII-INIZCTEOSA-N 1 2 333.391 3.891 20 0 EHADLO Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000272320014 1029415353 /nfs/dbraw/zinc/41/53/53/1029415353.db2.gz KDIIZQKZDMERTD-HXUWFJFHSA-N 1 2 346.434 3.861 20 0 EHADLO Cc1cc(CNc2cc[nH+]c3c(Br)cccc23)ncn1 ZINC000677419066 1029424442 /nfs/dbraw/zinc/42/44/42/1029424442.db2.gz VNXPIDKQBUKKKG-UHFFFAOYSA-N 1 2 329.201 3.708 20 0 EHADLO CC(C)C(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000446158538 1029458839 /nfs/dbraw/zinc/45/88/39/1029458839.db2.gz ROMNOSJENBRNHH-MRXNPFEDSA-N 1 2 347.503 3.884 20 0 EHADLO CC(C)(C)OC1CC(Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000272555467 1029511479 /nfs/dbraw/zinc/51/14/79/1029511479.db2.gz DLULEZZDSMRMMH-UHFFFAOYSA-N 1 2 329.444 3.720 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cc3cc(Br)ccc3o2)[nH]1 ZINC000583274113 1029515057 /nfs/dbraw/zinc/51/50/57/1029515057.db2.gz NPTJMOGMDUZUEP-VIFPVBQESA-N 1 2 349.232 3.727 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)c[nH+]1 ZINC000454998416 1029539142 /nfs/dbraw/zinc/53/91/42/1029539142.db2.gz WBBOJJUZTMXYHT-CQSZACIVSA-N 1 2 325.403 3.713 20 0 EHADLO CC(C)COc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272670600 1029558148 /nfs/dbraw/zinc/55/81/48/1029558148.db2.gz QESNKKQTXPQASE-KRWDZBQOSA-N 1 2 345.443 3.553 20 0 EHADLO CC(C)COc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272670600 1029558156 /nfs/dbraw/zinc/55/81/56/1029558156.db2.gz QESNKKQTXPQASE-KRWDZBQOSA-N 1 2 345.443 3.553 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]1C1CC1 ZINC000455021922 1029560736 /nfs/dbraw/zinc/56/07/36/1029560736.db2.gz KTHOKEMWDADXJS-SFHVURJKSA-N 1 2 334.423 3.618 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000611575555 1029581698 /nfs/dbraw/zinc/58/16/98/1029581698.db2.gz QZFQBBCJBDYTKZ-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000611575555 1029581701 /nfs/dbraw/zinc/58/17/01/1029581701.db2.gz QZFQBBCJBDYTKZ-MRXNPFEDSA-N 1 2 330.453 3.728 20 0 EHADLO CSc1cccc(F)c1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000455036862 1029582993 /nfs/dbraw/zinc/58/29/93/1029582993.db2.gz CPMBLFKKVVJMSV-UHFFFAOYSA-N 1 2 333.432 3.559 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2(C(F)(F)F)CCC2)c1 ZINC000343166671 1029588638 /nfs/dbraw/zinc/58/86/38/1029588638.db2.gz TVCLNIMWWZHMFW-UHFFFAOYSA-N 1 2 337.345 3.643 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455103027 1029628108 /nfs/dbraw/zinc/62/81/08/1029628108.db2.gz FFAYBUPIDHNFNS-CYBMUJFWSA-N 1 2 334.851 3.713 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1Cl ZINC000079454894 1029644779 /nfs/dbraw/zinc/64/47/79/1029644779.db2.gz TYRXNYXXBHTLRI-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000428595699 1029736776 /nfs/dbraw/zinc/73/67/76/1029736776.db2.gz OINQQXRCWZIDCV-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000525193892 1029747094 /nfs/dbraw/zinc/74/70/94/1029747094.db2.gz UMYUAFLDVOMOIR-SFHVURJKSA-N 1 2 346.425 3.645 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126603655 1029752931 /nfs/dbraw/zinc/75/29/31/1029752931.db2.gz HQHRGPFJYRFKNP-SJLPKXTDSA-N 1 2 325.456 3.579 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563828 1029756404 /nfs/dbraw/zinc/75/64/04/1029756404.db2.gz VKGAQIOMEWTOSO-OAHLLOKOSA-N 1 2 332.448 3.589 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563828 1029756411 /nfs/dbraw/zinc/75/64/11/1029756411.db2.gz VKGAQIOMEWTOSO-OAHLLOKOSA-N 1 2 332.448 3.589 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000446755694 1029782891 /nfs/dbraw/zinc/78/28/91/1029782891.db2.gz XZVLXITWEDBKMY-SFHVURJKSA-N 1 2 325.387 3.827 20 0 EHADLO CCC1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000080005650 1029806399 /nfs/dbraw/zinc/80/63/99/1029806399.db2.gz FFSZLHALKHYULA-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO COc1ccc2c(cccc2-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580433 1029824577 /nfs/dbraw/zinc/82/45/77/1029824577.db2.gz QJGRJLCAGPQCCI-OAHLLOKOSA-N 1 2 345.349 3.611 20 0 EHADLO COc1ccc2c(cccc2-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580432 1029825306 /nfs/dbraw/zinc/82/53/06/1029825306.db2.gz QJGRJLCAGPQCCI-HNNXBMFYSA-N 1 2 345.349 3.611 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001211581088 1029827597 /nfs/dbraw/zinc/82/75/97/1029827597.db2.gz YNSNORDFNSTYGY-VIFPVBQESA-N 1 2 334.153 3.756 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343232762 1029841717 /nfs/dbraw/zinc/84/17/17/1029841717.db2.gz GHRFQDRDPHQPDX-LJQANCHMSA-N 1 2 348.450 3.578 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000343232762 1029841726 /nfs/dbraw/zinc/84/17/26/1029841726.db2.gz GHRFQDRDPHQPDX-LJQANCHMSA-N 1 2 348.450 3.578 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000428458649 1029853253 /nfs/dbraw/zinc/85/32/53/1029853253.db2.gz CNIYABXGQFZAJN-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000428458649 1029853262 /nfs/dbraw/zinc/85/32/62/1029853262.db2.gz CNIYABXGQFZAJN-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000565035904 1029858614 /nfs/dbraw/zinc/85/86/14/1029858614.db2.gz QSEGLPAWIZBITO-ZWKOTPCHSA-N 1 2 329.488 3.797 20 0 EHADLO C[C@H](c1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000455726796 1029862571 /nfs/dbraw/zinc/86/25/71/1029862571.db2.gz DBCFOUZECGSLPQ-QWHCGFSZSA-N 1 2 339.361 3.615 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127303635 1029862819 /nfs/dbraw/zinc/86/28/19/1029862819.db2.gz HMZOVLFQFLFSFK-HIFRSBDPSA-N 1 2 330.457 3.720 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156604172 1029887299 /nfs/dbraw/zinc/88/72/99/1029887299.db2.gz UKJDNNBRVYXZFA-KSSFIOAISA-N 1 2 344.842 3.594 20 0 EHADLO COC1([C@H](C)[NH2+]CC(F)(F)c2ccc(Cl)cc2)CCOCC1 ZINC000453220781 1029933973 /nfs/dbraw/zinc/93/39/73/1029933973.db2.gz XBQIINISTRERBZ-LBPRGKRZSA-N 1 2 333.806 3.606 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)CCCO2 ZINC000453297937 1030048927 /nfs/dbraw/zinc/04/89/27/1030048927.db2.gz UCKBPQSUWAPAQW-AWEZNQCLSA-N 1 2 334.851 3.893 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc(OC(F)F)c1 ZINC000453307030 1030078316 /nfs/dbraw/zinc/07/83/16/1030078316.db2.gz UFBJIZWSMIVHSY-VIFPVBQESA-N 1 2 347.287 3.948 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2[nH+]1 ZINC000531930586 1030085556 /nfs/dbraw/zinc/08/55/56/1030085556.db2.gz NZOJQDKIKWBVTG-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)n1 ZINC000453324182 1030104279 /nfs/dbraw/zinc/10/42/79/1030104279.db2.gz QJKZIBUOSKPVJV-KRWDZBQOSA-N 1 2 345.874 3.956 20 0 EHADLO O=C1[C@H]([N@@H+]2CCCc3sccc3C2)CCN1c1ccccc1Cl ZINC000600645869 1030105450 /nfs/dbraw/zinc/10/54/50/1030105450.db2.gz ROINQNYGLIYERO-MRXNPFEDSA-N 1 2 346.883 3.955 20 0 EHADLO O=C1[C@H]([N@H+]2CCCc3sccc3C2)CCN1c1ccccc1Cl ZINC000600645869 1030105458 /nfs/dbraw/zinc/10/54/58/1030105458.db2.gz ROINQNYGLIYERO-MRXNPFEDSA-N 1 2 346.883 3.955 20 0 EHADLO CC(C)CC[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1ccoc1 ZINC000453346438 1030134173 /nfs/dbraw/zinc/13/41/73/1030134173.db2.gz ICQXLFNSJUBCCB-OAHLLOKOSA-N 1 2 325.416 3.727 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(F)cn1 ZINC000453367018 1030183274 /nfs/dbraw/zinc/18/32/74/1030183274.db2.gz WSDRNSWOJGXAOA-AMIZOPFISA-N 1 2 340.320 3.985 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000138821522 1030192914 /nfs/dbraw/zinc/19/29/14/1030192914.db2.gz PZNIEVYZCSEXDP-KZNAEPCWSA-N 1 2 346.519 3.743 20 0 EHADLO CCOc1ccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)co2)cc1 ZINC000159423440 1030194913 /nfs/dbraw/zinc/19/49/13/1030194913.db2.gz JMGPDMXOXQZORC-UHFFFAOYSA-N 1 2 342.424 3.713 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000453397959 1030206835 /nfs/dbraw/zinc/20/68/35/1030206835.db2.gz IRSYXEZUBHSJRS-KUHUBIRLSA-N 1 2 325.412 3.945 20 0 EHADLO CC[C@@H]([NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)NC ZINC000453392714 1030239027 /nfs/dbraw/zinc/23/90/27/1030239027.db2.gz DZMPAEKEQWYBDM-IAGOWNOFSA-N 1 2 334.822 3.683 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000121498738 1030282532 /nfs/dbraw/zinc/28/25/32/1030282532.db2.gz ZXSKXWAOXQNDPX-OAHLLOKOSA-N 1 2 327.428 3.939 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000525992562 1030284860 /nfs/dbraw/zinc/28/48/60/1030284860.db2.gz WGGNRFJOEXHUKZ-CJNGLKHVSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000525992562 1030284877 /nfs/dbraw/zinc/28/48/77/1030284877.db2.gz WGGNRFJOEXHUKZ-CJNGLKHVSA-N 1 2 339.863 3.691 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000138872996 1030287772 /nfs/dbraw/zinc/28/77/72/1030287772.db2.gz ACBLQDUMMLVWED-AWEZNQCLSA-N 1 2 327.409 3.841 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000138872996 1030287785 /nfs/dbraw/zinc/28/77/85/1030287785.db2.gz ACBLQDUMMLVWED-AWEZNQCLSA-N 1 2 327.409 3.841 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000121590511 1030303433 /nfs/dbraw/zinc/30/34/33/1030303433.db2.gz OQCVWXGGOIXRMU-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000121590511 1030303453 /nfs/dbraw/zinc/30/34/53/1030303453.db2.gz OQCVWXGGOIXRMU-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CCC(C)(C)CC1)C2 ZINC000526010727 1030322635 /nfs/dbraw/zinc/32/26/35/1030322635.db2.gz PDENXMWWQCCJRI-HNNXBMFYSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CCC(C)(C)CC1)CC2 ZINC000526010727 1030322650 /nfs/dbraw/zinc/32/26/50/1030322650.db2.gz PDENXMWWQCCJRI-HNNXBMFYSA-N 1 2 331.504 3.971 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121757384 1030357099 /nfs/dbraw/zinc/35/70/99/1030357099.db2.gz MDQINMDNWNFNCI-MSOLQXFVSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H](c2nccn2C)C2CC2)s1 ZINC000453598880 1030360544 /nfs/dbraw/zinc/36/05/44/1030360544.db2.gz OQBSWXVCSISSFF-ZDUSSCGKSA-N 1 2 340.290 3.793 20 0 EHADLO O=C(Cc1csc2ccccc12)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343341821 1030379904 /nfs/dbraw/zinc/37/99/04/1030379904.db2.gz KDISNSWHWHRWSN-UHFFFAOYSA-N 1 2 348.431 3.722 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000429725970 1030382653 /nfs/dbraw/zinc/38/26/53/1030382653.db2.gz ZPNNSLQEBRCSDN-SFHVURJKSA-N 1 2 337.423 3.586 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC000092095732 1030383504 /nfs/dbraw/zinc/38/35/04/1030383504.db2.gz GYVDQPSPGSDEEG-DJIMGWMZSA-N 1 2 336.501 3.569 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC000092095732 1030383521 /nfs/dbraw/zinc/38/35/21/1030383521.db2.gz GYVDQPSPGSDEEG-DJIMGWMZSA-N 1 2 336.501 3.569 20 0 EHADLO COc1ccc2ccccc2c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121795417 1030397455 /nfs/dbraw/zinc/39/74/55/1030397455.db2.gz DNJBIINHOPOIOG-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)nc(-c2ccc(Cl)cc2)n1 ZINC000158627126 1030403665 /nfs/dbraw/zinc/40/36/65/1030403665.db2.gz AOVFMYZYVQNLNR-UHFFFAOYSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cc(C[N@H+]2CCOCC23CCC3)nc(-c2ccc(Cl)cc2)n1 ZINC000158627126 1030403672 /nfs/dbraw/zinc/40/36/72/1030403672.db2.gz AOVFMYZYVQNLNR-UHFFFAOYSA-N 1 2 343.858 3.860 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2F)C[C@@]2(CCCOC2)O1 ZINC000482432956 1030413812 /nfs/dbraw/zinc/41/38/12/1030413812.db2.gz BYEOYGNVTTYTBE-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@]2(CCCOC2)O1 ZINC000482432956 1030413820 /nfs/dbraw/zinc/41/38/20/1030413820.db2.gz BYEOYGNVTTYTBE-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO c1cn(Cc2ccccc2)c(CNc2ccc(N3CCCC3)c[nH+]2)n1 ZINC000343345947 1030414821 /nfs/dbraw/zinc/41/48/21/1030414821.db2.gz SAFWVJNBPQQYDU-UHFFFAOYSA-N 1 2 333.439 3.539 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)c(Cl)c1F ZINC000343345772 1030416182 /nfs/dbraw/zinc/41/61/82/1030416182.db2.gz RHOKBJUKDPLXAI-UHFFFAOYSA-N 1 2 348.740 3.510 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000092436264 1030453838 /nfs/dbraw/zinc/45/38/38/1030453838.db2.gz USSITJPKUYOQFF-AWEZNQCLSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000092436264 1030453842 /nfs/dbraw/zinc/45/38/42/1030453842.db2.gz USSITJPKUYOQFF-AWEZNQCLSA-N 1 2 340.345 3.875 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000532168392 1030458822 /nfs/dbraw/zinc/45/88/22/1030458822.db2.gz LAMQEZPXYPAGJP-MRXNPFEDSA-N 1 2 347.503 3.942 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000532168392 1030458829 /nfs/dbraw/zinc/45/88/29/1030458829.db2.gz LAMQEZPXYPAGJP-MRXNPFEDSA-N 1 2 347.503 3.942 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)nc2ccccc12 ZINC000532218593 1030485746 /nfs/dbraw/zinc/48/57/46/1030485746.db2.gz LICGGQTVPHWRIZ-OZAJXLCCSA-N 1 2 339.464 3.526 20 0 EHADLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567993497 1030492299 /nfs/dbraw/zinc/49/22/99/1030492299.db2.gz PTRUEZPHQDSTLU-AWEZNQCLSA-N 1 2 342.443 3.766 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000482528598 1030506208 /nfs/dbraw/zinc/50/62/08/1030506208.db2.gz WKIHGHCJYDLFAW-AWEZNQCLSA-N 1 2 341.904 3.922 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000482528598 1030506214 /nfs/dbraw/zinc/50/62/14/1030506214.db2.gz WKIHGHCJYDLFAW-AWEZNQCLSA-N 1 2 341.904 3.922 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000583711320 1030531343 /nfs/dbraw/zinc/53/13/43/1030531343.db2.gz QAGFBBMWXGZVMR-IBGZPJMESA-N 1 2 326.440 3.589 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000583711320 1030531349 /nfs/dbraw/zinc/53/13/49/1030531349.db2.gz QAGFBBMWXGZVMR-IBGZPJMESA-N 1 2 326.440 3.589 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)cc1 ZINC000092973618 1030537413 /nfs/dbraw/zinc/53/74/13/1030537413.db2.gz XDEGCVQAZPTMMD-NTKDMRAZSA-N 1 2 343.492 3.776 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)cc1 ZINC000092973618 1030537424 /nfs/dbraw/zinc/53/74/24/1030537424.db2.gz XDEGCVQAZPTMMD-NTKDMRAZSA-N 1 2 343.492 3.776 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000092975596 1030541352 /nfs/dbraw/zinc/54/13/52/1030541352.db2.gz QWGMVKXSTLDZQW-LJQANCHMSA-N 1 2 337.398 3.789 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000092975596 1030541358 /nfs/dbraw/zinc/54/13/58/1030541358.db2.gz QWGMVKXSTLDZQW-LJQANCHMSA-N 1 2 337.398 3.789 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000129782030 1030550746 /nfs/dbraw/zinc/55/07/46/1030550746.db2.gz OCSXJZWTBXZHCB-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1ncsc1C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000093078493 1030553332 /nfs/dbraw/zinc/55/33/32/1030553332.db2.gz VLTAQTWKSKTLIH-CYBMUJFWSA-N 1 2 337.439 3.609 20 0 EHADLO CCOCc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000527013502 1030567312 /nfs/dbraw/zinc/56/73/12/1030567312.db2.gz MCSBKVMCRLFSRT-HNNXBMFYSA-N 1 2 341.455 3.813 20 0 EHADLO CCOCc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000527013502 1030567326 /nfs/dbraw/zinc/56/73/26/1030567326.db2.gz MCSBKVMCRLFSRT-HNNXBMFYSA-N 1 2 341.455 3.813 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1F ZINC000343375925 1030576157 /nfs/dbraw/zinc/57/61/57/1030576157.db2.gz REKBQDIKQDZARC-AWEZNQCLSA-N 1 2 338.386 3.598 20 0 EHADLO CCC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC(F)(F)CC1 ZINC000668090981 1030584683 /nfs/dbraw/zinc/58/46/83/1030584683.db2.gz XLAYCTOAHVDNPS-ZDUSSCGKSA-N 1 2 325.403 3.721 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000093363988 1030590107 /nfs/dbraw/zinc/59/01/07/1030590107.db2.gz OTHSJBUPYVLSAC-UHFFFAOYSA-N 1 2 349.413 3.735 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000093363988 1030590116 /nfs/dbraw/zinc/59/01/16/1030590116.db2.gz OTHSJBUPYVLSAC-UHFFFAOYSA-N 1 2 349.413 3.735 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000668091719 1030591327 /nfs/dbraw/zinc/59/13/27/1030591327.db2.gz NDUAZTLEHCWWRE-ONGXEEELSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000668091719 1030591339 /nfs/dbraw/zinc/59/13/39/1030591339.db2.gz NDUAZTLEHCWWRE-ONGXEEELSA-N 1 2 337.183 3.925 20 0 EHADLO COc1c(C)cc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1C ZINC000093413269 1030607659 /nfs/dbraw/zinc/60/76/59/1030607659.db2.gz MESVYLBTAMNLIW-SFHVURJKSA-N 1 2 339.483 3.586 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@@H](Cc3ccccc3)C(C)C)[nH+]c12 ZINC000527057282 1030612176 /nfs/dbraw/zinc/61/21/76/1030612176.db2.gz STEOVSOOYRTBON-LJQANCHMSA-N 1 2 349.478 3.816 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)c[nH+]c12 ZINC000093768981 1030670509 /nfs/dbraw/zinc/67/05/09/1030670509.db2.gz QUJVAJYHADETMB-YOEHRIQHSA-N 1 2 327.453 3.666 20 0 EHADLO COc1ccnc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000448033912 1030671581 /nfs/dbraw/zinc/67/15/81/1030671581.db2.gz FHSYRBJWNYQLGJ-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccnc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000448033912 1030671585 /nfs/dbraw/zinc/67/15/85/1030671585.db2.gz FHSYRBJWNYQLGJ-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1cc(N)nc(SCc2nc3cc(C(F)(F)F)ccc3o2)[nH+]1 ZINC000151134040 1030686684 /nfs/dbraw/zinc/68/66/84/1030686684.db2.gz JCDJEKGFVXVGIC-UHFFFAOYSA-N 1 2 340.330 3.820 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000170650898 1030692961 /nfs/dbraw/zinc/69/29/61/1030692961.db2.gz OPJADFJKYTYPLZ-ZDUSSCGKSA-N 1 2 332.423 3.970 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000122635514 1030700303 /nfs/dbraw/zinc/70/03/03/1030700303.db2.gz ZJPCOUJVSLDDEI-UHFFFAOYSA-N 1 2 333.435 3.775 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000122653549 1030711557 /nfs/dbraw/zinc/71/15/57/1030711557.db2.gz LQJZYFDAECHPKN-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(C)cc3OC(C)C)ccn12 ZINC001126940181 1030715260 /nfs/dbraw/zinc/71/52/60/1030715260.db2.gz GBMKXWNLFIFILY-UHFFFAOYSA-N 1 2 337.423 3.668 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2ccccc2nc1N1CCCCC1)c1nccn1C ZINC000657792996 1030742759 /nfs/dbraw/zinc/74/27/59/1030742759.db2.gz FRERPXVTGHWQAW-MRXNPFEDSA-N 1 2 349.482 3.809 20 0 EHADLO c1nn(-c2ccccc2)cc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194234014 1030763427 /nfs/dbraw/zinc/76/34/27/1030763427.db2.gz FGJBEAYGGCDMJK-UHFFFAOYSA-N 1 2 329.407 3.552 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1Cc2ccccc2-c2ccccc2C1 ZINC000171093363 1030763762 /nfs/dbraw/zinc/76/37/62/1030763762.db2.gz OZBJIMUJQUBITO-UHFFFAOYSA-N 1 2 327.391 3.551 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(Br)cc1 ZINC000171118380 1030763901 /nfs/dbraw/zinc/76/39/01/1030763901.db2.gz QMVCVWVIFUSEFP-SNVBAGLBSA-N 1 2 348.200 3.943 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)C[C@@H]2CCCO2)c(C)n1Cc1cccs1 ZINC000171669611 1030774755 /nfs/dbraw/zinc/77/47/55/1030774755.db2.gz SBUSXTBXPUXWJL-INIZCTEOSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)c(C)n1Cc1cccs1 ZINC000171669611 1030774768 /nfs/dbraw/zinc/77/47/68/1030774768.db2.gz SBUSXTBXPUXWJL-INIZCTEOSA-N 1 2 346.496 3.508 20 0 EHADLO CC[N@H+](CCn1cccn1)Cc1c(Cl)cc(OC)cc1Cl ZINC001142292331 1030777161 /nfs/dbraw/zinc/77/71/61/1030777161.db2.gz CUSMLAIEWXMJCS-UHFFFAOYSA-N 1 2 328.243 3.721 20 0 EHADLO CC[N@@H+](CCn1cccn1)Cc1c(Cl)cc(OC)cc1Cl ZINC001142292331 1030777163 /nfs/dbraw/zinc/77/71/63/1030777163.db2.gz CUSMLAIEWXMJCS-UHFFFAOYSA-N 1 2 328.243 3.721 20 0 EHADLO CC(C)Sc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000115160563 1030826008 /nfs/dbraw/zinc/82/60/08/1030826008.db2.gz FWBIJBIOZMXXCU-UHFFFAOYSA-N 1 2 329.469 3.814 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000172102368 1030833264 /nfs/dbraw/zinc/83/32/64/1030833264.db2.gz IQAAUNFFNZNHKU-UHFFFAOYSA-N 1 2 342.402 3.552 20 0 EHADLO CCn1c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)nc2c1cccc2F ZINC000130720096 1030843809 /nfs/dbraw/zinc/84/38/09/1030843809.db2.gz LAVKZCNTAQWCCO-OAHLLOKOSA-N 1 2 341.434 3.872 20 0 EHADLO CCn1c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)nc2c1cccc2F ZINC000130720096 1030843829 /nfs/dbraw/zinc/84/38/29/1030843829.db2.gz LAVKZCNTAQWCCO-OAHLLOKOSA-N 1 2 341.434 3.872 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)s1 ZINC000657798215 1030896852 /nfs/dbraw/zinc/89/68/52/1030896852.db2.gz LSRDVWMGHSKCCY-UHFFFAOYSA-N 1 2 326.368 3.878 20 0 EHADLO COC(=O)c1cc(C[N@H+](Cc2ccccc2OC)C2CC2)oc1C ZINC000097476004 1030931675 /nfs/dbraw/zinc/93/16/75/1030931675.db2.gz HWMKQDIEQIXBFV-UHFFFAOYSA-N 1 2 329.396 3.548 20 0 EHADLO COC(=O)c1cc(C[N@@H+](Cc2ccccc2OC)C2CC2)oc1C ZINC000097476004 1030931698 /nfs/dbraw/zinc/93/16/98/1030931698.db2.gz HWMKQDIEQIXBFV-UHFFFAOYSA-N 1 2 329.396 3.548 20 0 EHADLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000097493209 1030932619 /nfs/dbraw/zinc/93/26/19/1030932619.db2.gz NJHTWAYJYNJVSG-UHFFFAOYSA-N 1 2 344.798 3.884 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000097493209 1030932635 /nfs/dbraw/zinc/93/26/35/1030932635.db2.gz NJHTWAYJYNJVSG-UHFFFAOYSA-N 1 2 344.798 3.884 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(OC)cc2Cl)oc1C ZINC000097493177 1030934108 /nfs/dbraw/zinc/93/41/08/1030934108.db2.gz ZWQCLALFBQOTSO-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(OC)cc2Cl)oc1C ZINC000097493177 1030934120 /nfs/dbraw/zinc/93/41/20/1030934120.db2.gz ZWQCLALFBQOTSO-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@H+](C)CCN1CCCC1=O ZINC000527510865 1030959497 /nfs/dbraw/zinc/95/94/97/1030959497.db2.gz PJTSKDDNCUFWTE-UHFFFAOYSA-N 1 2 340.920 3.895 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@@H+](C)CCN1CCCC1=O ZINC000527510865 1030959515 /nfs/dbraw/zinc/95/95/15/1030959515.db2.gz PJTSKDDNCUFWTE-UHFFFAOYSA-N 1 2 340.920 3.895 20 0 EHADLO COCC[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1cncs1 ZINC000448369928 1031004054 /nfs/dbraw/zinc/00/40/54/1031004054.db2.gz CYTUUAKEVYFQSN-UHFFFAOYSA-N 1 2 336.404 3.872 20 0 EHADLO COCC[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1cncs1 ZINC000448369928 1031004066 /nfs/dbraw/zinc/00/40/66/1031004066.db2.gz CYTUUAKEVYFQSN-UHFFFAOYSA-N 1 2 336.404 3.872 20 0 EHADLO CC[N@H+](Cc1cnc(C)o1)Cc1cc(Br)ccc1F ZINC000628135977 1031021061 /nfs/dbraw/zinc/02/10/61/1031021061.db2.gz NMNZINYJSZQKTP-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1cnc(C)o1)Cc1cc(Br)ccc1F ZINC000628135977 1031021072 /nfs/dbraw/zinc/02/10/72/1031021072.db2.gz NMNZINYJSZQKTP-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)c(F)cc1Br ZINC000685226651 1031048617 /nfs/dbraw/zinc/04/86/17/1031048617.db2.gz XZRDVOUAJFFLSE-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO CCc1c(NC(=O)c2ccn3c(C)c[nH+]c3c2)cnn1CCC(C)C ZINC000568206203 1031056614 /nfs/dbraw/zinc/05/66/14/1031056614.db2.gz GIAYRKGLNKJDAX-UHFFFAOYSA-N 1 2 339.443 3.700 20 0 EHADLO COc1cc2c(c(C[NH2+]C(C)(C)c3nc(C)cs3)c1)O[C@@H](C)C2 ZINC000116382859 1031110618 /nfs/dbraw/zinc/11/06/18/1031110618.db2.gz HLHIMNYONMFXQT-LBPRGKRZSA-N 1 2 332.469 3.808 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173937836 1031136324 /nfs/dbraw/zinc/13/63/24/1031136324.db2.gz NHQZSKCAUVATHI-KGLIPLIRSA-N 1 2 338.411 3.865 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC000483427765 1031159698 /nfs/dbraw/zinc/15/96/98/1031159698.db2.gz KQVUURXNJAVVME-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC000483427765 1031159705 /nfs/dbraw/zinc/15/97/05/1031159705.db2.gz KQVUURXNJAVVME-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527729826 1031159885 /nfs/dbraw/zinc/15/98/85/1031159885.db2.gz YQPIFNYGWDSLHV-QGZVFWFLSA-N 1 2 342.508 3.580 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cn1 ZINC000343505285 1031180118 /nfs/dbraw/zinc/18/01/18/1031180118.db2.gz MSGOHWBPZONXLR-LKFCYVNXSA-N 1 2 329.202 3.912 20 0 EHADLO C[C@H]1CCN(Cc2ccc(Cl)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000278512708 1031192796 /nfs/dbraw/zinc/19/27/96/1031192796.db2.gz BPGSFHKJCMJXBS-WCQYABFASA-N 1 2 325.243 3.668 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)cn1 ZINC000343514413 1031194521 /nfs/dbraw/zinc/19/45/21/1031194521.db2.gz WSXZZHRCLUIDMX-XHDPSFHLSA-N 1 2 325.815 3.641 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000483529402 1031201573 /nfs/dbraw/zinc/20/15/73/1031201573.db2.gz PHSACTLSNWLFRV-QGZVFWFLSA-N 1 2 332.488 3.839 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000483529402 1031201585 /nfs/dbraw/zinc/20/15/85/1031201585.db2.gz PHSACTLSNWLFRV-QGZVFWFLSA-N 1 2 332.488 3.839 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000174355927 1031202172 /nfs/dbraw/zinc/20/21/72/1031202172.db2.gz IJTQTQUENXCTKF-CMPLNLGQSA-N 1 2 330.856 3.634 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000174355927 1031202188 /nfs/dbraw/zinc/20/21/88/1031202188.db2.gz IJTQTQUENXCTKF-CMPLNLGQSA-N 1 2 330.856 3.634 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cccc(C(F)F)c2F)[C@H](c2ccccc2)C1 ZINC000527779725 1031212429 /nfs/dbraw/zinc/21/24/29/1031212429.db2.gz IUOLVUXWSHXFEJ-INIZCTEOSA-N 1 2 348.368 3.892 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cccc(C(F)F)c2F)[C@H](c2ccccc2)C1 ZINC000527779725 1031212442 /nfs/dbraw/zinc/21/24/42/1031212442.db2.gz IUOLVUXWSHXFEJ-INIZCTEOSA-N 1 2 348.368 3.892 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cnn(CC3CCC3)c2)o1 ZINC000903099130 1031231317 /nfs/dbraw/zinc/23/13/17/1031231317.db2.gz BZZVRSGIINPCHL-RDTXWAMCSA-N 1 2 331.460 3.877 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174650981 1031240753 /nfs/dbraw/zinc/24/07/53/1031240753.db2.gz YNDNVQZZPMQQMB-PZJWPPBQSA-N 1 2 329.403 3.715 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)s1 ZINC000314991542 1031246923 /nfs/dbraw/zinc/24/69/23/1031246923.db2.gz RUYWOGJRYUTUFZ-RKDXNWHRSA-N 1 2 326.368 3.620 20 0 EHADLO CS[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)C(C)(C)C ZINC000343533145 1031278706 /nfs/dbraw/zinc/27/87/06/1031278706.db2.gz MRUFONIVHPTMPG-MRXNPFEDSA-N 1 2 331.485 3.688 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(-c2ccccc2)n(C)n1 ZINC000527851949 1031325645 /nfs/dbraw/zinc/32/56/45/1031325645.db2.gz NNWPYXNJLJVCSY-CQSZACIVSA-N 1 2 335.407 3.667 20 0 EHADLO Cc1ccc(C(=O)N2CCN(c3[nH+]ccc4ccccc43)CC2)s1 ZINC000527859199 1031338361 /nfs/dbraw/zinc/33/83/61/1031338361.db2.gz WTXOFFGOYVOWLQ-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000343549489 1031340371 /nfs/dbraw/zinc/34/03/71/1031340371.db2.gz FVQBKJSNXWMYRO-GJZGRUSLSA-N 1 2 332.473 3.781 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)no1 ZINC000151351682 1031376022 /nfs/dbraw/zinc/37/60/22/1031376022.db2.gz JHNSTTHAUGVHIF-JKSUJKDBSA-N 1 2 329.469 3.905 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)no1 ZINC000151351682 1031376039 /nfs/dbraw/zinc/37/60/39/1031376039.db2.gz JHNSTTHAUGVHIF-JKSUJKDBSA-N 1 2 329.469 3.905 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278562204 1031399604 /nfs/dbraw/zinc/39/96/04/1031399604.db2.gz BOWXWEYDDQERDG-GHMZBOCLSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278562204 1031399614 /nfs/dbraw/zinc/39/96/14/1031399614.db2.gz BOWXWEYDDQERDG-GHMZBOCLSA-N 1 2 325.334 3.671 20 0 EHADLO Cc1[nH]ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176443656 1031439705 /nfs/dbraw/zinc/43/97/05/1031439705.db2.gz FIZGENWAILDXFG-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1[nH]ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176443656 1031439709 /nfs/dbraw/zinc/43/97/09/1031439709.db2.gz FIZGENWAILDXFG-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO c1ccc2c(c1)cc[nH+]c2N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000527911223 1031444008 /nfs/dbraw/zinc/44/40/08/1031444008.db2.gz DQWWALPICUYVMN-GOSISDBHSA-N 1 2 326.440 3.789 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cs1 ZINC000527939366 1031462648 /nfs/dbraw/zinc/46/26/48/1031462648.db2.gz OFJOWKXQRAZOKO-CMPLNLGQSA-N 1 2 332.395 3.917 20 0 EHADLO Cc1ccccc1-c1nsc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000527928447 1031491516 /nfs/dbraw/zinc/49/15/16/1031491516.db2.gz OYDHDSHDVVXIOX-GDBMZVCRSA-N 1 2 339.468 3.798 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083416137 1031498029 /nfs/dbraw/zinc/49/80/29/1031498029.db2.gz IPSJKTMTUMJVDO-LLVKDONJSA-N 1 2 342.892 3.503 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083416137 1031498037 /nfs/dbraw/zinc/49/80/37/1031498037.db2.gz IPSJKTMTUMJVDO-LLVKDONJSA-N 1 2 342.892 3.503 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cccnc2C)nnn1-c1ccc(Cl)cc1 ZINC000527982091 1031520144 /nfs/dbraw/zinc/52/01/44/1031520144.db2.gz ALMOLTBAVNXSQK-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000635447044 1031603713 /nfs/dbraw/zinc/60/37/13/1031603713.db2.gz OKKGCVMGXQLFCK-CRAIPNDOSA-N 1 2 329.444 3.746 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)n1cc[nH+]c1 ZINC000551752794 1031623033 /nfs/dbraw/zinc/62/30/33/1031623033.db2.gz NDHFGAITVNNREO-JTQLQIEISA-N 1 2 348.378 3.875 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)cc(Cl)c2)c1C ZINC000178178842 1031637914 /nfs/dbraw/zinc/63/79/14/1031637914.db2.gz IDRXLXAMVYZLKW-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(-n2cncn2)c(C)c1 ZINC000158890583 1031694727 /nfs/dbraw/zinc/69/47/27/1031694727.db2.gz ZVIAQUUPBZOILK-UHFFFAOYSA-N 1 2 332.411 3.557 20 0 EHADLO Fc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC000484553647 1031716699 /nfs/dbraw/zinc/71/66/99/1031716699.db2.gz AVSFZUBFPBOKHI-AZUAARDMSA-N 1 2 327.399 3.593 20 0 EHADLO Fc1ccc2c(c1)[C@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC000484553647 1031716710 /nfs/dbraw/zinc/71/67/10/1031716710.db2.gz AVSFZUBFPBOKHI-AZUAARDMSA-N 1 2 327.399 3.593 20 0 EHADLO Cc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cccc1-c1ccccn1 ZINC000178866942 1031735276 /nfs/dbraw/zinc/73/52/76/1031735276.db2.gz RQLVEHDQSZLOCS-UHFFFAOYSA-N 1 2 342.402 3.635 20 0 EHADLO CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117573171 1031757288 /nfs/dbraw/zinc/75/72/88/1031757288.db2.gz PPIPBLPOQUIVJU-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000117654472 1031787604 /nfs/dbraw/zinc/78/76/04/1031787604.db2.gz UKXWFEATARNAAS-CYBMUJFWSA-N 1 2 340.452 3.779 20 0 EHADLO CC(C)[C@H]1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000923888263 1031793271 /nfs/dbraw/zinc/79/32/71/1031793271.db2.gz MMZDQSHYSWRMCW-DOTOQJQBSA-N 1 2 338.411 3.841 20 0 EHADLO CC(C)(C)c1cnc(CNc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000551964468 1031807434 /nfs/dbraw/zinc/80/74/34/1031807434.db2.gz DRMRRERTPSFEGV-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000086234061 1031814388 /nfs/dbraw/zinc/81/43/88/1031814388.db2.gz LFGSGPWNXJLQBJ-LLVKDONJSA-N 1 2 338.860 3.836 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000086234061 1031814410 /nfs/dbraw/zinc/81/44/10/1031814410.db2.gz LFGSGPWNXJLQBJ-LLVKDONJSA-N 1 2 338.860 3.836 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000448900079 1031856404 /nfs/dbraw/zinc/85/64/04/1031856404.db2.gz PVTIOGQMDCFSDJ-OXQOHEQNSA-N 1 2 330.447 3.777 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000350005998 1031857989 /nfs/dbraw/zinc/85/79/89/1031857989.db2.gz FEILASKVVMKEEL-UHFFFAOYSA-N 1 2 340.358 3.673 20 0 EHADLO Cc1ccc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cc1Br ZINC000584175562 1031859084 /nfs/dbraw/zinc/85/90/84/1031859084.db2.gz DJZSBSKYKFHPFP-NSHDSACASA-N 1 2 347.216 3.808 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000448901513 1031861464 /nfs/dbraw/zinc/86/14/64/1031861464.db2.gz WBNJUMNDZKYZDF-ZDUSSCGKSA-N 1 2 342.405 3.712 20 0 EHADLO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(Cl)s1)C2 ZINC000343669169 1031863089 /nfs/dbraw/zinc/86/30/89/1031863089.db2.gz CFZGOZGQZZDOAH-MEDUHNTESA-N 1 2 342.892 3.740 20 0 EHADLO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ncc(Cl)s1)C2 ZINC000343669169 1031863102 /nfs/dbraw/zinc/86/31/02/1031863102.db2.gz CFZGOZGQZZDOAH-MEDUHNTESA-N 1 2 342.892 3.740 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccc(C3CCOCC3)cc2)n1 ZINC000904262317 1031891659 /nfs/dbraw/zinc/89/16/59/1031891659.db2.gz DDAVMYAWEVKKMS-UHFFFAOYSA-N 1 2 336.395 3.583 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000904269367 1031897118 /nfs/dbraw/zinc/89/71/18/1031897118.db2.gz CXOBRYFEMDXPMO-OXJNMPFZSA-N 1 2 332.407 3.784 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c(N(C)C)[nH+]1 ZINC000162077482 1031898074 /nfs/dbraw/zinc/89/80/74/1031898074.db2.gz WYTIEBXUSBPMLO-ZDUSSCGKSA-N 1 2 330.407 3.820 20 0 EHADLO COc1cccc([C@H](C)c2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000685274438 1031901034 /nfs/dbraw/zinc/90/10/34/1031901034.db2.gz MCWDWHBEEMQRBJ-KSSFIOAISA-N 1 2 337.423 3.881 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927887 1031904288 /nfs/dbraw/zinc/90/42/88/1031904288.db2.gz JRUJYKAENBOONO-OXQOHEQNSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000904259575 1031906286 /nfs/dbraw/zinc/90/62/86/1031906286.db2.gz GMQHEVZMEXNWRQ-OAHLLOKOSA-N 1 2 336.395 3.583 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000180872131 1031920213 /nfs/dbraw/zinc/92/02/13/1031920213.db2.gz IHLZIXVQMHMWDT-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000180872131 1031920225 /nfs/dbraw/zinc/92/02/25/1031920225.db2.gz IHLZIXVQMHMWDT-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Br)c2)[C@H]1[C@@H]1CCCO1 ZINC000584201245 1031926858 /nfs/dbraw/zinc/92/68/58/1031926858.db2.gz LEUVFKSIGFGAEE-AAEUAGOBSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Br)c2)[C@H]1[C@@H]1CCCO1 ZINC000584201245 1031926874 /nfs/dbraw/zinc/92/68/74/1031926874.db2.gz LEUVFKSIGFGAEE-AAEUAGOBSA-N 1 2 330.291 3.900 20 0 EHADLO CCOc1ccccc1-c1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000537898651 1032003823 /nfs/dbraw/zinc/00/38/23/1032003823.db2.gz FHAXQYNFVZSSIG-UHFFFAOYSA-N 1 2 347.418 3.646 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000537900402 1032007219 /nfs/dbraw/zinc/00/72/19/1032007219.db2.gz SMBUIERNTHDNCN-SFHVURJKSA-N 1 2 333.520 3.995 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000537900402 1032007233 /nfs/dbraw/zinc/00/72/33/1032007233.db2.gz SMBUIERNTHDNCN-SFHVURJKSA-N 1 2 333.520 3.995 20 0 EHADLO Cn1cnnc1C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449015483 1032029769 /nfs/dbraw/zinc/02/97/69/1032029769.db2.gz SVYPEDWKZQPUBH-UHFFFAOYSA-N 1 2 331.272 3.563 20 0 EHADLO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926876 1032035648 /nfs/dbraw/zinc/03/56/48/1032035648.db2.gz XOGXMRSHJMVBBT-UHFFFAOYSA-N 1 2 335.194 3.770 20 0 EHADLO Cc1cccc(C)c1C[N@H+](C)Cn1c(=O)scc1C(F)(F)F ZINC000904439360 1032047941 /nfs/dbraw/zinc/04/79/41/1032047941.db2.gz MXHIOKRYMBWEFZ-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO Cc1cccc(C)c1C[N@@H+](C)Cn1c(=O)scc1C(F)(F)F ZINC000904439360 1032047956 /nfs/dbraw/zinc/04/79/56/1032047956.db2.gz MXHIOKRYMBWEFZ-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1sc2cccc(F)c2c1Cl ZINC000898098858 1033346485 /nfs/dbraw/zinc/34/64/85/1033346485.db2.gz GDTDVUQBXLDSQL-SECBINFHSA-N 1 2 349.818 3.635 20 0 EHADLO CCCC[C@@H](COC)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104289 1033351227 /nfs/dbraw/zinc/35/12/27/1033351227.db2.gz CYWRIVLQJJBENB-YOEHRIQHSA-N 1 2 337.414 3.583 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000603091146 1033354888 /nfs/dbraw/zinc/35/48/88/1033354888.db2.gz ZSHUAHVLKOOTMV-HNNXBMFYSA-N 1 2 344.484 3.727 20 0 EHADLO CC(C)n1ncc2cc(C[NH+]3CC(Cc4ccoc4)C3)c(Cl)nc21 ZINC000898162959 1033362814 /nfs/dbraw/zinc/36/28/14/1033362814.db2.gz ZFJPEBSPWITZMD-UHFFFAOYSA-N 1 2 344.846 3.933 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488404 1033369693 /nfs/dbraw/zinc/36/96/93/1033369693.db2.gz ZCMMIVVSSQNNJH-ZIAGYGMSSA-N 1 2 349.525 3.535 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488404 1033369704 /nfs/dbraw/zinc/36/97/04/1033369704.db2.gz ZCMMIVVSSQNNJH-ZIAGYGMSSA-N 1 2 349.525 3.535 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000173535445 1033382840 /nfs/dbraw/zinc/38/28/40/1033382840.db2.gz SCPRMQHASDKKCT-CYBMUJFWSA-N 1 2 336.427 3.836 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000173535445 1033382849 /nfs/dbraw/zinc/38/28/49/1033382849.db2.gz SCPRMQHASDKKCT-CYBMUJFWSA-N 1 2 336.427 3.836 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2scnc2C(C)C)n1 ZINC000898313345 1033450160 /nfs/dbraw/zinc/45/01/60/1033450160.db2.gz YQBUIYKNCGAEON-UHFFFAOYSA-N 1 2 338.502 3.817 20 0 EHADLO O=C(c1cc(Cl)cs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000760506814 1033457270 /nfs/dbraw/zinc/45/72/70/1033457270.db2.gz YYOUWJCGYDRXPU-UHFFFAOYSA-N 1 2 337.876 3.931 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@@](=O)C[C@H](C)C3)s2)cc1C ZINC000594614301 1033479043 /nfs/dbraw/zinc/47/90/43/1033479043.db2.gz LPTINRKBZWAHCY-JCQPUDPBSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@@](=O)C[C@H](C)C3)s2)cc1C ZINC000594614301 1033479048 /nfs/dbraw/zinc/47/90/48/1033479048.db2.gz LPTINRKBZWAHCY-JCQPUDPBSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608125855 1033484283 /nfs/dbraw/zinc/48/42/83/1033484283.db2.gz BCGQUEGVIVYCFB-OAHLLOKOSA-N 1 2 344.484 3.783 20 0 EHADLO O=C1Nc2ccc(F)cc2C2(C[NH+](C[C@@H]3CCc4ccccc43)C2)O1 ZINC000898370646 1033512852 /nfs/dbraw/zinc/51/28/52/1033512852.db2.gz IPWSVCQKCAJRHX-AWEZNQCLSA-N 1 2 338.382 3.629 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000131165037 1033538057 /nfs/dbraw/zinc/53/80/57/1033538057.db2.gz ABARRHQCRVOBAJ-IAQYHMDHSA-N 1 2 325.334 3.534 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608208592 1033543924 /nfs/dbraw/zinc/54/39/24/1033543924.db2.gz WDSIPOPJCRYMBO-BPQIPLTHSA-N 1 2 325.456 3.646 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000685561009 1033566695 /nfs/dbraw/zinc/56/66/95/1033566695.db2.gz SQOCIEYVJNXXCJ-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1nc(C)c(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000685561009 1033566709 /nfs/dbraw/zinc/56/67/09/1033566709.db2.gz SQOCIEYVJNXXCJ-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO CCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000057612286 1033568013 /nfs/dbraw/zinc/56/80/13/1033568013.db2.gz BUBSEMVVBZDUDE-OAHLLOKOSA-N 1 2 341.858 3.667 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000045052515 1033577418 /nfs/dbraw/zinc/57/74/18/1033577418.db2.gz XZKLVJMJUICFAK-UHFFFAOYSA-N 1 2 349.434 3.591 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685587440 1033592489 /nfs/dbraw/zinc/59/24/89/1033592489.db2.gz HGLGTTSHXZITAY-UHOFOFEASA-N 1 2 336.863 3.556 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685587440 1033592502 /nfs/dbraw/zinc/59/25/02/1033592502.db2.gz HGLGTTSHXZITAY-UHOFOFEASA-N 1 2 336.863 3.556 20 0 EHADLO O=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000608313662 1033613305 /nfs/dbraw/zinc/61/33/05/1033613305.db2.gz GUVCOTODZZWMMD-UHFFFAOYSA-N 1 2 343.390 3.718 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000685605456 1033617438 /nfs/dbraw/zinc/61/74/38/1033617438.db2.gz MKNGZOPHZKMHTB-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000685605456 1033617449 /nfs/dbraw/zinc/61/74/49/1033617449.db2.gz MKNGZOPHZKMHTB-AEFFLSMTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCC2CCCCC2)s1 ZINC000106874866 1033624013 /nfs/dbraw/zinc/62/40/13/1033624013.db2.gz QNVKNIMJLJONEV-CQSZACIVSA-N 1 2 337.533 3.839 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCC2CCCCC2)s1 ZINC000106874866 1033624018 /nfs/dbraw/zinc/62/40/18/1033624018.db2.gz QNVKNIMJLJONEV-CQSZACIVSA-N 1 2 337.533 3.839 20 0 EHADLO CCc1noc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)n1 ZINC000685613309 1033625614 /nfs/dbraw/zinc/62/56/14/1033625614.db2.gz SMZDWHIQQCSJEN-UHFFFAOYSA-N 1 2 338.249 3.728 20 0 EHADLO O[C@@H](CNc1[nH+]cccc1OCc1ccccc1)c1cccc(F)c1 ZINC000760512014 1033635919 /nfs/dbraw/zinc/63/59/19/1033635919.db2.gz STXSRTFSBOFVBL-SFHVURJKSA-N 1 2 338.382 3.945 20 0 EHADLO Cc1ccc([C@H](C[NH2+]Cc2cccc(Cl)c2O)N2CCCC2)o1 ZINC000181068338 1033662052 /nfs/dbraw/zinc/66/20/52/1033662052.db2.gz PUBDOLRNSJDOEO-INIZCTEOSA-N 1 2 334.847 3.874 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC(c3ccncc3)CC2)no1 ZINC000191651386 1033668134 /nfs/dbraw/zinc/66/81/34/1033668134.db2.gz OTSYEUIRVRBIGC-UHFFFAOYSA-N 1 2 334.423 3.820 20 0 EHADLO CCC[C@@H](CC)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608415139 1033673779 /nfs/dbraw/zinc/67/37/79/1033673779.db2.gz UUICYMKAZHFSSV-SJORKVTESA-N 1 2 328.460 3.582 20 0 EHADLO S=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000063790350 1033700648 /nfs/dbraw/zinc/70/06/48/1033700648.db2.gz XPRLHPJWEFHTHL-UHFFFAOYSA-N 1 2 348.475 3.848 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000595094013 1033701498 /nfs/dbraw/zinc/70/14/98/1033701498.db2.gz RXNAKQCRYTVAAY-VIFPVBQESA-N 1 2 343.301 3.658 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC ZINC000669686148 1033710007 /nfs/dbraw/zinc/71/00/07/1033710007.db2.gz IYAFZBNKHRDJSM-AWEZNQCLSA-N 1 2 346.475 3.509 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+](Cc3cccs3)C3CC3)nc2c1 ZINC000595285847 1033727608 /nfs/dbraw/zinc/72/76/08/1033727608.db2.gz ACXLGKBPRXKJPD-UHFFFAOYSA-N 1 2 341.436 3.576 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+](Cc3cccs3)C3CC3)nc2c1 ZINC000595285847 1033727625 /nfs/dbraw/zinc/72/76/25/1033727625.db2.gz ACXLGKBPRXKJPD-UHFFFAOYSA-N 1 2 341.436 3.576 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000132303274 1033760136 /nfs/dbraw/zinc/76/01/36/1033760136.db2.gz NCNZMXLLSVWAAP-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000608560836 1033764063 /nfs/dbraw/zinc/76/40/63/1033764063.db2.gz OMGRCJUEOYSSLC-IBGZPJMESA-N 1 2 349.434 3.898 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000608560836 1033764075 /nfs/dbraw/zinc/76/40/75/1033764075.db2.gz OMGRCJUEOYSSLC-IBGZPJMESA-N 1 2 349.434 3.898 20 0 EHADLO Cc1cc(NCCc2ccc(Br)cc2)nc(C2CC2)[nH+]1 ZINC000343808205 1033773099 /nfs/dbraw/zinc/77/30/99/1033773099.db2.gz JJWCDGGPDXKMLM-UHFFFAOYSA-N 1 2 332.245 3.501 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000595359778 1033781416 /nfs/dbraw/zinc/78/14/16/1033781416.db2.gz FWXYUQKEGXVRKP-KRWDZBQOSA-N 1 2 335.451 3.549 20 0 EHADLO CCc1ccc([C@@H](C[NH2+]Cc2nnc(C(C)C)s2)N(C)C)cc1 ZINC000892420972 1033827172 /nfs/dbraw/zinc/82/71/72/1033827172.db2.gz YIYKTWXTMLIHLQ-MRXNPFEDSA-N 1 2 332.517 3.616 20 0 EHADLO CCCCc1ccc([C@@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000358481213 1033834609 /nfs/dbraw/zinc/83/46/09/1033834609.db2.gz RMMBRVZKVVKTRE-IBGZPJMESA-N 1 2 342.487 3.959 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)csc2C1 ZINC000120473087 1033847656 /nfs/dbraw/zinc/84/76/56/1033847656.db2.gz FEBJOFKMQOIYFW-DZGCQCFKSA-N 1 2 342.464 3.561 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000608714206 1033849958 /nfs/dbraw/zinc/84/99/58/1033849958.db2.gz LDHJFOBVSQLMFT-LJQANCHMSA-N 1 2 338.455 3.771 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cs1 ZINC000603710858 1033865434 /nfs/dbraw/zinc/86/54/34/1033865434.db2.gz AHYWKYSHXZOUJY-UHFFFAOYSA-N 1 2 347.459 3.824 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000608728576 1033868510 /nfs/dbraw/zinc/86/85/10/1033868510.db2.gz LFFZJTMXUPTULS-KRWDZBQOSA-N 1 2 340.471 3.536 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc2ccncc2s1 ZINC000658035405 1033869402 /nfs/dbraw/zinc/86/94/02/1033869402.db2.gz QSKCQBJJELLDBA-VIFPVBQESA-N 1 2 338.358 3.956 20 0 EHADLO CN(Cc1cccc2ccccc21)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944042 1033894123 /nfs/dbraw/zinc/89/41/23/1033894123.db2.gz VGCMGAJRCMHWPQ-UHFFFAOYSA-N 1 2 348.450 3.878 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000084069498 1033904746 /nfs/dbraw/zinc/90/47/46/1033904746.db2.gz VLSJFYKNQOZOAZ-CQSZACIVSA-N 1 2 329.469 3.839 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000084069498 1033904751 /nfs/dbraw/zinc/90/47/51/1033904751.db2.gz VLSJFYKNQOZOAZ-CQSZACIVSA-N 1 2 329.469 3.839 20 0 EHADLO CCC[N@H+](Cc1cccnc1C(F)(F)F)[C@@H](CC)C(=O)OCC ZINC000599390056 1033914033 /nfs/dbraw/zinc/91/40/33/1033914033.db2.gz HRFVTEVNYKXTDP-ZDUSSCGKSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H](CC)C(=O)OCC ZINC000599390056 1033914036 /nfs/dbraw/zinc/91/40/36/1033914036.db2.gz HRFVTEVNYKXTDP-ZDUSSCGKSA-N 1 2 332.366 3.654 20 0 EHADLO CCSCc1cc[nH+]c(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000761344696 1033940015 /nfs/dbraw/zinc/94/00/15/1033940015.db2.gz YHOPCPKNKFUYNO-AWEZNQCLSA-N 1 2 337.489 3.756 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595677060 1033945600 /nfs/dbraw/zinc/94/56/00/1033945600.db2.gz RTKPDEKBQBHUSE-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595677060 1033945606 /nfs/dbraw/zinc/94/56/06/1033945606.db2.gz RTKPDEKBQBHUSE-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000595775160 1033994074 /nfs/dbraw/zinc/99/40/74/1033994074.db2.gz MZMDOIRQYYSZHO-NHYWBVRUSA-N 1 2 335.341 3.690 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1OC)c1nccs1 ZINC000152649210 1034006980 /nfs/dbraw/zinc/00/69/80/1034006980.db2.gz MMVGLJWDOLLPIE-QGZVFWFLSA-N 1 2 336.457 3.584 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000612094434 1034008938 /nfs/dbraw/zinc/00/89/38/1034008938.db2.gz ZVVVTZTXKRYRLG-SNVBAGLBSA-N 1 2 325.334 3.729 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000612094434 1034008959 /nfs/dbraw/zinc/00/89/59/1034008959.db2.gz ZVVVTZTXKRYRLG-SNVBAGLBSA-N 1 2 325.334 3.729 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885089 1034009049 /nfs/dbraw/zinc/00/90/49/1034009049.db2.gz PUUSANFIRXLOAR-HYVNUMGLSA-N 1 2 329.444 3.750 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000658156388 1034011353 /nfs/dbraw/zinc/01/13/53/1034011353.db2.gz JDQUJKZLYHCTJG-KRWDZBQOSA-N 1 2 334.851 3.626 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1ccncc1 ZINC000595915956 1034028480 /nfs/dbraw/zinc/02/84/80/1034028480.db2.gz JNNVTKIJYOLZSS-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1ccncc1 ZINC000595915956 1034028491 /nfs/dbraw/zinc/02/84/91/1034028491.db2.gz JNNVTKIJYOLZSS-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cnn(C2CCCC2)c1 ZINC000548861215 1034038969 /nfs/dbraw/zinc/03/89/69/1034038969.db2.gz QMWDOTMIEQKAEC-GJZGRUSLSA-N 1 2 342.491 3.728 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1cncs1 ZINC000595916822 1034039810 /nfs/dbraw/zinc/03/98/10/1034039810.db2.gz LSSYLFHMMBVFBB-QGZVFWFLSA-N 1 2 344.480 3.627 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1cncs1 ZINC000595916822 1034039822 /nfs/dbraw/zinc/03/98/22/1034039822.db2.gz LSSYLFHMMBVFBB-QGZVFWFLSA-N 1 2 344.480 3.627 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000603916472 1034044651 /nfs/dbraw/zinc/04/46/51/1034044651.db2.gz KVOLLXHEKAGPQM-UHFFFAOYSA-N 1 2 339.345 3.525 20 0 EHADLO CCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)C(C)C ZINC000074869360 1034047304 /nfs/dbraw/zinc/04/73/04/1034047304.db2.gz OWMGUAQWJRUEIF-FUHWJXTLSA-N 1 2 342.487 3.780 20 0 EHADLO O=C(Nc1ccc(-c2ccccn2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685702575 1034059124 /nfs/dbraw/zinc/05/91/24/1034059124.db2.gz GVFWAXYTEKDTCD-SFHVURJKSA-N 1 2 347.422 3.814 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)cc1OC ZINC000603948860 1034066422 /nfs/dbraw/zinc/06/64/22/1034066422.db2.gz OJBIOAFQIILZHQ-GFCCVEGCSA-N 1 2 343.402 3.580 20 0 EHADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(C2CCC2)CCC1 ZINC000456072891 1034066748 /nfs/dbraw/zinc/06/67/48/1034066748.db2.gz UBMJLWQMOXOWMT-INIZCTEOSA-N 1 2 341.499 3.896 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C)n2C2CC2)cc1OCC ZINC000120703472 1034077785 /nfs/dbraw/zinc/07/77/85/1034077785.db2.gz TUNXMUDTQPVKRO-ZDUSSCGKSA-N 1 2 344.459 3.570 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000596151508 1034092717 /nfs/dbraw/zinc/09/27/17/1034092717.db2.gz QNNJZPDSVXFPOW-CHWSQXEVSA-N 1 2 330.350 3.578 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000596215289 1034122834 /nfs/dbraw/zinc/12/28/34/1034122834.db2.gz AKODHITZZQWNTO-BXUZGUMPSA-N 1 2 334.778 3.558 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000596223329 1034126784 /nfs/dbraw/zinc/12/67/84/1034126784.db2.gz MJUUTMSDZUINEF-UHFFFAOYSA-N 1 2 342.826 3.744 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2cc(C3CC3)no2)c1C(=O)OC ZINC000596281564 1034142007 /nfs/dbraw/zinc/14/20/07/1034142007.db2.gz NMRDIROUYRTBHA-UHFFFAOYSA-N 1 2 330.384 3.574 20 0 EHADLO Cc1ccsc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000119502086 1034175419 /nfs/dbraw/zinc/17/54/19/1034175419.db2.gz GBZPECGMDQGOGW-AWEZNQCLSA-N 1 2 349.525 3.706 20 0 EHADLO Cc1c(Br)cccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000534133699 1034176144 /nfs/dbraw/zinc/17/61/44/1034176144.db2.gz GIEFGULQWNWHST-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1c(Br)cccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000534133699 1034176152 /nfs/dbraw/zinc/17/61/52/1034176152.db2.gz GIEFGULQWNWHST-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000120826741 1034178505 /nfs/dbraw/zinc/17/85/05/1034178505.db2.gz WYORJOOMHAAIJS-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cn(C)nn2)[C@@H]2CCc3ccccc32)cc1 ZINC000534137276 1034181797 /nfs/dbraw/zinc/18/17/97/1034181797.db2.gz IBMGVEODKNVHIL-OAQYLSRUSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cn(C)nn2)[C@@H]2CCc3ccccc32)cc1 ZINC000534137276 1034181800 /nfs/dbraw/zinc/18/18/00/1034181800.db2.gz IBMGVEODKNVHIL-OAQYLSRUSA-N 1 2 332.451 3.813 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529554503 1034186222 /nfs/dbraw/zinc/18/62/22/1034186222.db2.gz CADYXLANSVOAQU-TZMCWYRMSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529554503 1034186231 /nfs/dbraw/zinc/18/62/31/1034186231.db2.gz CADYXLANSVOAQU-TZMCWYRMSA-N 1 2 335.391 3.537 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC000119553356 1034193013 /nfs/dbraw/zinc/19/30/13/1034193013.db2.gz BTEUNVIZZFFYCH-GOSISDBHSA-N 1 2 346.519 3.745 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529557378 1034194692 /nfs/dbraw/zinc/19/46/92/1034194692.db2.gz MONBHLBJSGXJRQ-CQSZACIVSA-N 1 2 335.391 3.537 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000529557378 1034194706 /nfs/dbraw/zinc/19/47/06/1034194706.db2.gz MONBHLBJSGXJRQ-CQSZACIVSA-N 1 2 335.391 3.537 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)c(Br)c1 ZINC000658335789 1034210224 /nfs/dbraw/zinc/21/02/24/1034210224.db2.gz GNMZSWJWPOHBEN-QWRGUYRKSA-N 1 2 338.249 3.603 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)c(C)s1 ZINC000658341603 1034218610 /nfs/dbraw/zinc/21/86/10/1034218610.db2.gz BMABJNCVNYCMSD-MRVPVSSYSA-N 1 2 326.368 3.932 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCCCO[C@H]2CCOC2)c1 ZINC000450373721 1034229430 /nfs/dbraw/zinc/22/94/30/1034229430.db2.gz ARRLFCZBZQKPRN-AWEZNQCLSA-N 1 2 340.345 3.861 20 0 EHADLO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332373 1034248927 /nfs/dbraw/zinc/24/89/27/1034248927.db2.gz XLIRXFNKPMVKCE-WWGRRREGSA-N 1 2 341.904 3.927 20 0 EHADLO C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332373 1034248941 /nfs/dbraw/zinc/24/89/41/1034248941.db2.gz XLIRXFNKPMVKCE-WWGRRREGSA-N 1 2 341.904 3.927 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000120903850 1034252940 /nfs/dbraw/zinc/25/29/40/1034252940.db2.gz MWGBICFRPLSWGV-QGZVFWFLSA-N 1 2 339.483 3.569 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C\c2cccs2)[nH+]1 ZINC000255716788 1034256819 /nfs/dbraw/zinc/25/68/19/1034256819.db2.gz BMVGAKGPBAHWSK-KTKRTIGZSA-N 1 2 331.437 3.657 20 0 EHADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120930193 1034261636 /nfs/dbraw/zinc/26/16/36/1034261636.db2.gz ACDVSLZHHZBNSF-OAHLLOKOSA-N 1 2 337.206 3.682 20 0 EHADLO CCCn1cc(C[N@@H+]2CCc3cc(OCC)c(OCC)cc3C2)cn1 ZINC000120976355 1034277232 /nfs/dbraw/zinc/27/72/32/1034277232.db2.gz HVBRJNZNTCHNGC-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCCn1cc(C[N@H+]2CCc3cc(OCC)c(OCC)cc3C2)cn1 ZINC000120976355 1034277250 /nfs/dbraw/zinc/27/72/50/1034277250.db2.gz HVBRJNZNTCHNGC-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1OC ZINC000302597931 1034289516 /nfs/dbraw/zinc/28/95/16/1034289516.db2.gz JANRMLZZMQJVHG-HXUWFJFHSA-N 1 2 340.467 3.737 20 0 EHADLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1OC ZINC000302597931 1034289519 /nfs/dbraw/zinc/28/95/19/1034289519.db2.gz JANRMLZZMQJVHG-HXUWFJFHSA-N 1 2 340.467 3.737 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C ZINC000596592974 1034308918 /nfs/dbraw/zinc/30/89/18/1034308918.db2.gz OCJLCCOUAZWVEB-DYVFJYSZSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C ZINC000596592974 1034308943 /nfs/dbraw/zinc/30/89/43/1034308943.db2.gz OCJLCCOUAZWVEB-DYVFJYSZSA-N 1 2 328.412 3.914 20 0 EHADLO CCn1nc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc21 ZINC000529639079 1034327480 /nfs/dbraw/zinc/32/74/80/1034327480.db2.gz BSNZERLSBAVZSZ-UHFFFAOYSA-N 1 2 349.482 3.702 20 0 EHADLO CCn1nc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc21 ZINC000529639079 1034327494 /nfs/dbraw/zinc/32/74/94/1034327494.db2.gz BSNZERLSBAVZSZ-UHFFFAOYSA-N 1 2 349.482 3.702 20 0 EHADLO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000534286724 1034339556 /nfs/dbraw/zinc/33/95/56/1034339556.db2.gz OUOCCRNDAOCOGC-UHFFFAOYSA-N 1 2 346.228 3.732 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](Cc2ccccc2)OC)cs1 ZINC000450442939 1034339831 /nfs/dbraw/zinc/33/98/31/1034339831.db2.gz UHQABWDFQCEDKJ-QAPCUYQASA-N 1 2 348.512 3.930 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](Cc2ccccc2)OC)cs1 ZINC000450442939 1034339846 /nfs/dbraw/zinc/33/98/46/1034339846.db2.gz UHQABWDFQCEDKJ-QAPCUYQASA-N 1 2 348.512 3.930 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101972444 1034347151 /nfs/dbraw/zinc/34/71/51/1034347151.db2.gz XSEFQVAGAOAQQG-INIZCTEOSA-N 1 2 346.434 3.664 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(C)c[nH+]1 ZINC000534299958 1034356823 /nfs/dbraw/zinc/35/68/23/1034356823.db2.gz OVIKJQXKPNYNAH-UHFFFAOYSA-N 1 2 349.390 3.526 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)ccc2OC)c(C)o1 ZINC000604512884 1034408121 /nfs/dbraw/zinc/40/81/21/1034408121.db2.gz OJMRLRWGGRKBEX-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)c(C)o1 ZINC000604512884 1034408128 /nfs/dbraw/zinc/40/81/28/1034408128.db2.gz OJMRLRWGGRKBEX-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO CC(C)C[C@@H](C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC000635930409 1034410861 /nfs/dbraw/zinc/41/08/61/1034410861.db2.gz IEVQXHARQBGQJO-KFWWJZLASA-N 1 2 345.409 3.955 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450495375 1034431542 /nfs/dbraw/zinc/43/15/42/1034431542.db2.gz VBJNQBUGVYHQTI-LNLFQRSKSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450495375 1034431552 /nfs/dbraw/zinc/43/15/52/1034431552.db2.gz VBJNQBUGVYHQTI-LNLFQRSKSA-N 1 2 334.410 3.573 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000604670773 1034449299 /nfs/dbraw/zinc/44/92/99/1034449299.db2.gz NZQXQZYMWCDDCH-SFHVURJKSA-N 1 2 340.471 3.840 20 0 EHADLO C[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C(C)(C)C ZINC000604691504 1034467293 /nfs/dbraw/zinc/46/72/93/1034467293.db2.gz ZGTMMNZEZMRUNB-CQSZACIVSA-N 1 2 329.444 3.718 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000604737992 1034482579 /nfs/dbraw/zinc/48/25/79/1034482579.db2.gz BMRUBZPHZFJPBZ-QGZVFWFLSA-N 1 2 342.508 3.895 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000597018129 1034499855 /nfs/dbraw/zinc/49/98/55/1034499855.db2.gz CJKAWDRFQDWRIK-CQSZACIVSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000597018129 1034499862 /nfs/dbraw/zinc/49/98/62/1034499862.db2.gz CJKAWDRFQDWRIK-CQSZACIVSA-N 1 2 332.469 3.890 20 0 EHADLO C[C@@H](O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547983 1034505195 /nfs/dbraw/zinc/50/51/95/1034505195.db2.gz GBDLDROPQXHMQZ-ABAIWWIYSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547983 1034505210 /nfs/dbraw/zinc/50/52/10/1034505210.db2.gz GBDLDROPQXHMQZ-ABAIWWIYSA-N 1 2 345.270 3.557 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@@H](n3cccn3)C2)c1 ZINC000450539147 1034514876 /nfs/dbraw/zinc/51/48/76/1034514876.db2.gz JQZUPCYFABNQRD-CQSZACIVSA-N 1 2 332.329 3.902 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604864513 1034534415 /nfs/dbraw/zinc/53/44/15/1034534415.db2.gz MOLQPHUIKPQXSE-QXAKKESOSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000450623728 1034576817 /nfs/dbraw/zinc/57/68/17/1034576817.db2.gz NHKZUUQOBFQBSA-AWEZNQCLSA-N 1 2 337.876 3.968 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000450623728 1034576826 /nfs/dbraw/zinc/57/68/26/1034576826.db2.gz NHKZUUQOBFQBSA-AWEZNQCLSA-N 1 2 337.876 3.968 20 0 EHADLO Cc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C)o1 ZINC000761215106 1034581600 /nfs/dbraw/zinc/58/16/00/1034581600.db2.gz IPAGPHLEXIEAFU-UHFFFAOYSA-N 1 2 335.451 3.894 20 0 EHADLO OC[C@@H]1CC[C@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450640396 1034605851 /nfs/dbraw/zinc/60/58/51/1034605851.db2.gz CPFRYUKJCREBPS-ZJUUUORDSA-N 1 2 339.208 3.709 20 0 EHADLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000605090717 1034624478 /nfs/dbraw/zinc/62/44/78/1034624478.db2.gz JIGQDTZCDPIULJ-MRXNPFEDSA-N 1 2 333.435 3.968 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000605090716 1034624952 /nfs/dbraw/zinc/62/49/52/1034624952.db2.gz JIGQDTZCDPIULJ-INIZCTEOSA-N 1 2 333.435 3.968 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000605156206 1034653751 /nfs/dbraw/zinc/65/37/51/1034653751.db2.gz NHVZOTUJFXYOSJ-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000605156206 1034653758 /nfs/dbraw/zinc/65/37/58/1034653758.db2.gz NHVZOTUJFXYOSJ-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC(F)F)cc1 ZINC000450666632 1034665171 /nfs/dbraw/zinc/66/51/71/1034665171.db2.gz JEZNWMBOCQQPLL-SECBINFHSA-N 1 2 325.384 3.868 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450668476 1034668607 /nfs/dbraw/zinc/66/86/07/1034668607.db2.gz ZMJONUVLUWYUNK-NSHDSACASA-N 1 2 333.457 3.674 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1csnn1 ZINC000450670888 1034670667 /nfs/dbraw/zinc/67/06/67/1034670667.db2.gz DOIWCOZXTFXTQK-UWVGGRQHSA-N 1 2 331.363 3.891 20 0 EHADLO COc1ccnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000450699298 1034713180 /nfs/dbraw/zinc/71/31/80/1034713180.db2.gz XUSCGZXNXNXUSP-INIZCTEOSA-N 1 2 337.345 3.745 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(S(=O)(=O)CC)cc2)CCS1 ZINC000450768880 1034763588 /nfs/dbraw/zinc/76/35/88/1034763588.db2.gz GWVOEKXXKLTHTR-UHFFFAOYSA-N 1 2 341.542 3.588 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(S(=O)(=O)CC)cc2)CCS1 ZINC000450768880 1034763591 /nfs/dbraw/zinc/76/35/91/1034763591.db2.gz GWVOEKXXKLTHTR-UHFFFAOYSA-N 1 2 341.542 3.588 20 0 EHADLO Cc1cc(C)c(CNC(=O)C(C)(C)COCc2ccccc2)c[nH+]1 ZINC000456832020 1034774864 /nfs/dbraw/zinc/77/48/64/1034774864.db2.gz FKXRTAZTYXVKFL-UHFFFAOYSA-N 1 2 326.440 3.558 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3ccc(F)cc3F)CCC2)c[nH+]1 ZINC000456833939 1034775944 /nfs/dbraw/zinc/77/59/44/1034775944.db2.gz GXQNGEMSPBHEQC-UHFFFAOYSA-N 1 2 330.378 3.715 20 0 EHADLO C[N@H+](Cc1cnc(Cl)s1)Cc1cccc(Br)c1N ZINC001232522989 1034785614 /nfs/dbraw/zinc/78/56/14/1034785614.db2.gz FRPYNSCXQXXPMW-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cccc(Br)c1N ZINC001232522989 1034785627 /nfs/dbraw/zinc/78/56/27/1034785627.db2.gz FRPYNSCXQXXPMW-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO CCn1c(C[NH2+]Cc2ccc(Br)cn2)nc2ccccc21 ZINC000761223306 1034792756 /nfs/dbraw/zinc/79/27/56/1034792756.db2.gz ZJEDZZGRRULSOR-UHFFFAOYSA-N 1 2 345.244 3.504 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000529940862 1034798287 /nfs/dbraw/zinc/79/82/87/1034798287.db2.gz NYFDZEWGQWEWDZ-HNNXBMFYSA-N 1 2 348.450 3.930 20 0 EHADLO O=C(c1cccc(Cl)c1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121306981 1034816064 /nfs/dbraw/zinc/81/60/64/1034816064.db2.gz PCZRYAUQQYYIQQ-GFCCVEGCSA-N 1 2 337.206 3.682 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+](C)CC3(c4ccccc4)CC3)no2)c1 ZINC000450814741 1034823151 /nfs/dbraw/zinc/82/31/51/1034823151.db2.gz ZPTPSDKVBNJFEP-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+](C)CC3(c4ccccc4)CC3)no2)c1 ZINC000450814741 1034823168 /nfs/dbraw/zinc/82/31/68/1034823168.db2.gz ZPTPSDKVBNJFEP-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375889408 1034831270 /nfs/dbraw/zinc/83/12/70/1034831270.db2.gz JZKQECFNNWGUOK-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000375889408 1034831282 /nfs/dbraw/zinc/83/12/82/1034831282.db2.gz JZKQECFNNWGUOK-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121358244 1034843327 /nfs/dbraw/zinc/84/33/27/1034843327.db2.gz YDPGTSQANRQWPI-KRWDZBQOSA-N 1 2 342.464 3.876 20 0 EHADLO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1csnn1 ZINC000450843095 1034852328 /nfs/dbraw/zinc/85/23/28/1034852328.db2.gz HQFLPNZERVHYQZ-ULSRQLJBSA-N 1 2 327.812 3.511 20 0 EHADLO CC[N@H+](CC(=O)N1CCC(F)(F)C[C@H]1C)Cc1ccccc1Cl ZINC000530012202 1034862920 /nfs/dbraw/zinc/86/29/20/1034862920.db2.gz XYTNKJNUSPLJFK-CYBMUJFWSA-N 1 2 344.833 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC(F)(F)C[C@H]1C)Cc1ccccc1Cl ZINC000530012202 1034862930 /nfs/dbraw/zinc/86/29/30/1034862930.db2.gz XYTNKJNUSPLJFK-CYBMUJFWSA-N 1 2 344.833 3.808 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000450887054 1034916727 /nfs/dbraw/zinc/91/67/27/1034916727.db2.gz XXCHHSCHLWZATI-INIZCTEOSA-N 1 2 336.432 3.898 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000450887054 1034916730 /nfs/dbraw/zinc/91/67/30/1034916730.db2.gz XXCHHSCHLWZATI-INIZCTEOSA-N 1 2 336.432 3.898 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931092 1034945017 /nfs/dbraw/zinc/94/50/17/1034945017.db2.gz HSAQGVBDMWGPNC-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931092 1034945025 /nfs/dbraw/zinc/94/50/25/1034945025.db2.gz HSAQGVBDMWGPNC-MCMMXHMISA-N 1 2 337.872 3.943 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450926859 1034952118 /nfs/dbraw/zinc/95/21/18/1034952118.db2.gz ABYTZZLQTROKOR-SFHVURJKSA-N 1 2 342.414 3.647 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000628280480 1034963838 /nfs/dbraw/zinc/96/38/38/1034963838.db2.gz MBSRZNGQGKWPPP-UHFFFAOYSA-N 1 2 328.350 3.540 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2ccsc2C(F)(F)F)CC1 ZINC000628280480 1034963844 /nfs/dbraw/zinc/96/38/44/1034963844.db2.gz MBSRZNGQGKWPPP-UHFFFAOYSA-N 1 2 328.350 3.540 20 0 EHADLO Cc1ccc(NC(=O)c2cc(Br)cs2)c(N(C)C)[nH+]1 ZINC000152636687 1034988266 /nfs/dbraw/zinc/98/82/66/1034988266.db2.gz XFXLLPIVVULKKC-UHFFFAOYSA-N 1 2 340.246 3.532 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001625883361 1035016186 /nfs/dbraw/zinc/01/61/86/1035016186.db2.gz WZBGMIOHASYTEO-RTBURBONSA-N 1 2 338.536 3.554 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccsc2)cc1OCC ZINC000016354287 1035036912 /nfs/dbraw/zinc/03/69/12/1035036912.db2.gz BZFNPMXMMLRWNL-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccsc2)cc1OCC ZINC000016354287 1035036923 /nfs/dbraw/zinc/03/69/23/1035036923.db2.gz BZFNPMXMMLRWNL-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO Cc1sc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nc1C(C)C ZINC000570126598 1035067743 /nfs/dbraw/zinc/06/77/43/1035067743.db2.gz HLIQUJCQLBVUPL-UHFFFAOYSA-N 1 2 340.452 3.942 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000179944266 1035070890 /nfs/dbraw/zinc/07/08/90/1035070890.db2.gz VOKZYYADTPUAHP-QGZVFWFLSA-N 1 2 341.455 3.745 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000179944266 1035070897 /nfs/dbraw/zinc/07/08/97/1035070897.db2.gz VOKZYYADTPUAHP-QGZVFWFLSA-N 1 2 341.455 3.745 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c(N(C)C)[nH+]1 ZINC000162266131 1035239429 /nfs/dbraw/zinc/23/94/29/1035239429.db2.gz NYKYHTGDWBUFMI-OAHLLOKOSA-N 1 2 330.457 3.887 20 0 EHADLO CCOC[C@H]1CC[N@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000177629506 1035282870 /nfs/dbraw/zinc/28/28/70/1035282870.db2.gz ZLLCGINNVKSPHL-LBPRGKRZSA-N 1 2 339.892 3.679 20 0 EHADLO CCOC[C@H]1CC[N@@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000177629506 1035282875 /nfs/dbraw/zinc/28/28/75/1035282875.db2.gz ZLLCGINNVKSPHL-LBPRGKRZSA-N 1 2 339.892 3.679 20 0 EHADLO CCOC[C@@H]1CC[N@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000177629495 1035283043 /nfs/dbraw/zinc/28/30/43/1035283043.db2.gz ZLLCGINNVKSPHL-GFCCVEGCSA-N 1 2 339.892 3.679 20 0 EHADLO CCOC[C@@H]1CC[N@@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000177629495 1035283047 /nfs/dbraw/zinc/28/30/47/1035283047.db2.gz ZLLCGINNVKSPHL-GFCCVEGCSA-N 1 2 339.892 3.679 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177634100 1035287836 /nfs/dbraw/zinc/28/78/36/1035287836.db2.gz DBWMHXFKYCNBKK-KBPBESRZSA-N 1 2 343.858 3.533 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177634100 1035287841 /nfs/dbraw/zinc/28/78/41/1035287841.db2.gz DBWMHXFKYCNBKK-KBPBESRZSA-N 1 2 343.858 3.533 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612997453 1035344457 /nfs/dbraw/zinc/34/44/57/1035344457.db2.gz YOYBEEFYMPAJHW-KCXAZCMYSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612997453 1035344464 /nfs/dbraw/zinc/34/44/64/1035344464.db2.gz YOYBEEFYMPAJHW-KCXAZCMYSA-N 1 2 338.854 3.777 20 0 EHADLO CCC[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000613009685 1035354057 /nfs/dbraw/zinc/35/40/57/1035354057.db2.gz SCMOHDIGCHHCIU-DOTOQJQBSA-N 1 2 345.874 3.973 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613016774 1035356524 /nfs/dbraw/zinc/35/65/24/1035356524.db2.gz GVZXNAMLYMIEQM-USXIJHARSA-N 1 2 333.435 3.977 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376183349 1035389724 /nfs/dbraw/zinc/38/97/24/1035389724.db2.gz XYQUZGNZUJMACI-QGZVFWFLSA-N 1 2 347.418 3.554 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376189282 1035394869 /nfs/dbraw/zinc/39/48/69/1035394869.db2.gz BWVWAPOFUSSKKR-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376189282 1035394871 /nfs/dbraw/zinc/39/48/71/1035394871.db2.gz BWVWAPOFUSSKKR-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161697789 1035402630 /nfs/dbraw/zinc/40/26/30/1035402630.db2.gz ZKTNVDZPIIXFJZ-SJORKVTESA-N 1 2 331.504 3.947 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1cc2n(n1)CCC2 ZINC000414056047 1035412709 /nfs/dbraw/zinc/41/27/09/1035412709.db2.gz DBRFIPMSHYROLV-SNVBAGLBSA-N 1 2 338.224 3.582 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(OC)c1F)C2 ZINC000685850798 1035418834 /nfs/dbraw/zinc/41/88/34/1035418834.db2.gz KLZHLPIFWPOLRW-UHFFFAOYSA-N 1 2 327.399 3.890 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(OC)c1F)C2 ZINC000685850798 1035418835 /nfs/dbraw/zinc/41/88/35/1035418835.db2.gz KLZHLPIFWPOLRW-UHFFFAOYSA-N 1 2 327.399 3.890 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000066385652 1035434420 /nfs/dbraw/zinc/43/44/20/1035434420.db2.gz OHIAHEHYGWXZDG-AWEZNQCLSA-N 1 2 340.452 3.803 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000456883638 1035498714 /nfs/dbraw/zinc/49/87/14/1035498714.db2.gz WUPSRDDJELIXTK-RDJZCZTQSA-N 1 2 345.874 3.849 20 0 EHADLO C[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@@H]1COc2ccccc21 ZINC000185647723 1035507338 /nfs/dbraw/zinc/50/73/38/1035507338.db2.gz KRTAAATZWLLNBJ-CJNGLKHVSA-N 1 2 327.428 3.772 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)o2)c1 ZINC000540659053 1035550495 /nfs/dbraw/zinc/55/04/95/1035550495.db2.gz YVALFLAWQTXIHG-UHFFFAOYSA-N 1 2 335.407 3.964 20 0 EHADLO Cn1cc(C[C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)cn1 ZINC000571612443 1035567096 /nfs/dbraw/zinc/56/70/96/1035567096.db2.gz GQYMFUDIYZMSOA-LBPRGKRZSA-N 1 2 344.821 3.830 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3ccc(Br)cc3F)nc12 ZINC000124003514 1035571128 /nfs/dbraw/zinc/57/11/28/1035571128.db2.gz MQNGHPKGARFAIP-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO CCCn1nc(C)c(CNc2[nH+]c3cc(Cl)ccc3n2CC)c1C ZINC000463524322 1035583113 /nfs/dbraw/zinc/58/31/13/1035583113.db2.gz HSIXPFSPWOJULE-UHFFFAOYSA-N 1 2 345.878 3.967 20 0 EHADLO CCCCOc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000186164329 1035595874 /nfs/dbraw/zinc/59/58/74/1035595874.db2.gz OCAHPZZTFIAUDT-UHFFFAOYSA-N 1 2 349.862 3.878 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc2c(F)cccc2c1 ZINC000431803197 1035599100 /nfs/dbraw/zinc/59/91/00/1035599100.db2.gz WWJNARLDBFASMJ-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1Nc1cc(C(C)C)nc2ncnn21 ZINC000613336133 1035599215 /nfs/dbraw/zinc/59/92/15/1035599215.db2.gz NHNJVMXXKALMCO-UHFFFAOYSA-N 1 2 336.443 3.900 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccc3[nH]ccc3c2)c1C ZINC000492301898 1035608994 /nfs/dbraw/zinc/60/89/94/1035608994.db2.gz WRGKHGDBHNNWNB-VURMDHGXSA-N 1 2 349.434 3.860 20 0 EHADLO Cc1cc(C(C)(C)[NH2+]Cc2csnn2)ccc1Br ZINC000571727806 1035630812 /nfs/dbraw/zinc/63/08/12/1035630812.db2.gz CVFNCXZJWNDJOT-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000186281174 1035620302 /nfs/dbraw/zinc/62/03/02/1035620302.db2.gz XKMJVKSRRISCSK-AWEZNQCLSA-N 1 2 331.485 3.700 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000540811134 1035704337 /nfs/dbraw/zinc/70/43/37/1035704337.db2.gz JDBATVLCHXBSIV-IEBWSBKVSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2coc(-c3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000187142861 1035769166 /nfs/dbraw/zinc/76/91/66/1035769166.db2.gz VJVIIESRIQYBHI-XMMPIXPASA-N 1 2 344.411 3.941 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)c(C)[nH+]1 ZINC000187147741 1035771386 /nfs/dbraw/zinc/77/13/86/1035771386.db2.gz STGAPHYWHKUIJS-QFIPXVFZSA-N 1 2 325.380 3.749 20 0 EHADLO CCO[C@H](C)c1nc(C[S@](=O)Cc2ccc(C)[nH+]c2C)cs1 ZINC000187159715 1035778208 /nfs/dbraw/zinc/77/82/08/1035778208.db2.gz RXQMLVKECUIIGZ-MCMMXHMISA-N 1 2 338.498 3.701 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000534964771 1035865644 /nfs/dbraw/zinc/86/56/44/1035865644.db2.gz BWBLGPFACTVAPA-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000534964771 1035865658 /nfs/dbraw/zinc/86/56/58/1035865658.db2.gz BWBLGPFACTVAPA-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534964834 1035865701 /nfs/dbraw/zinc/86/57/01/1035865701.db2.gz DPYMJUBMVPZMFZ-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534964834 1035865716 /nfs/dbraw/zinc/86/57/16/1035865716.db2.gz DPYMJUBMVPZMFZ-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613441753 1035878757 /nfs/dbraw/zinc/87/87/57/1035878757.db2.gz WGTYWBLUYACJEJ-INIZCTEOSA-N 1 2 340.467 3.992 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000613441753 1035878776 /nfs/dbraw/zinc/87/87/76/1035878776.db2.gz WGTYWBLUYACJEJ-INIZCTEOSA-N 1 2 340.467 3.992 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C2CC2)o1 ZINC000613441472 1035896386 /nfs/dbraw/zinc/89/63/86/1035896386.db2.gz GCFIDOCJTUXNHC-UHFFFAOYSA-N 1 2 346.858 3.565 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C2CC2)o1 ZINC000613441472 1035896407 /nfs/dbraw/zinc/89/64/07/1035896407.db2.gz GCFIDOCJTUXNHC-UHFFFAOYSA-N 1 2 346.858 3.565 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000613443775 1035910941 /nfs/dbraw/zinc/91/09/41/1035910941.db2.gz YREREGZZEZYAIO-LPHOPBHVSA-N 1 2 330.472 3.734 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000613443775 1035910949 /nfs/dbraw/zinc/91/09/49/1035910949.db2.gz YREREGZZEZYAIO-LPHOPBHVSA-N 1 2 330.472 3.734 20 0 EHADLO C[C@@H]1CCCC[C@]1(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000457289071 1035921099 /nfs/dbraw/zinc/92/10/99/1035921099.db2.gz NWZHRXRVRPNBQA-UZLBHIALSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccccc3)C(F)(F)F)[nH+]c12 ZINC000588364058 1035924572 /nfs/dbraw/zinc/92/45/72/1035924572.db2.gz UVXJOUCGPCOOGQ-MRXNPFEDSA-N 1 2 347.340 3.605 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000613464642 1035967661 /nfs/dbraw/zinc/96/76/61/1035967661.db2.gz YCYNZSHTMMBCLJ-HUUCEWRRSA-N 1 2 344.430 3.705 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000613464642 1035967675 /nfs/dbraw/zinc/96/76/75/1035967675.db2.gz YCYNZSHTMMBCLJ-HUUCEWRRSA-N 1 2 344.430 3.705 20 0 EHADLO O=C(CNc1cccc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000588778330 1036019759 /nfs/dbraw/zinc/01/97/59/1036019759.db2.gz OUQXGIHPPWFWIS-UHFFFAOYSA-N 1 2 344.777 3.715 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccn(C)n1 ZINC000414201779 1036031206 /nfs/dbraw/zinc/03/12/06/1036031206.db2.gz YSIGKCHBGVHADW-XPTSAGLGSA-N 1 2 338.224 3.660 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CC1 ZINC000613486215 1036049310 /nfs/dbraw/zinc/04/93/10/1036049310.db2.gz WICQPXLHVBHVOR-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CC1 ZINC000613486215 1036049325 /nfs/dbraw/zinc/04/93/25/1036049325.db2.gz WICQPXLHVBHVOR-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO CCc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1 ZINC000170643342 1036055643 /nfs/dbraw/zinc/05/56/43/1036055643.db2.gz KNWFXZRRCIWWIZ-UHFFFAOYSA-N 1 2 347.462 3.661 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1 ZINC000170643342 1036055654 /nfs/dbraw/zinc/05/56/54/1036055654.db2.gz KNWFXZRRCIWWIZ-UHFFFAOYSA-N 1 2 347.462 3.661 20 0 EHADLO CC(C)(C)C1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000457468267 1036134891 /nfs/dbraw/zinc/13/48/91/1036134891.db2.gz NJWSEYFKDYLLEY-UHFFFAOYSA-N 1 2 341.455 3.973 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174906193 1036162316 /nfs/dbraw/zinc/16/23/16/1036162316.db2.gz KCBHJJORYZVJOI-GFCCVEGCSA-N 1 2 339.270 3.610 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000492676675 1036164581 /nfs/dbraw/zinc/16/45/81/1036164581.db2.gz RVQQUQAJAHASNC-FZMZJTMJSA-N 1 2 335.341 3.621 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000892569480 1036176367 /nfs/dbraw/zinc/17/63/67/1036176367.db2.gz ACNQEDIEUBFVPD-UHFFFAOYSA-N 1 2 339.464 3.853 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000190141895 1036197186 /nfs/dbraw/zinc/19/71/86/1036197186.db2.gz DGSURCLWDFBTKO-GOSISDBHSA-N 1 2 333.391 3.637 20 0 EHADLO CSCCCCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492713517 1036203422 /nfs/dbraw/zinc/20/34/22/1036203422.db2.gz WAVVCUUMOMGJBK-YFHOEESVSA-N 1 2 329.469 3.535 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000170763375 1036207539 /nfs/dbraw/zinc/20/75/39/1036207539.db2.gz FVQRWRVOANQGIP-QRWLVFNGSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000170763375 1036207554 /nfs/dbraw/zinc/20/75/54/1036207554.db2.gz FVQRWRVOANQGIP-QRWLVFNGSA-N 1 2 327.424 3.666 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000457532430 1036227795 /nfs/dbraw/zinc/22/77/95/1036227795.db2.gz HYMNBHDZQGIFAL-CHWSQXEVSA-N 1 2 344.377 3.607 20 0 EHADLO CCC1(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000457555750 1036252066 /nfs/dbraw/zinc/25/20/66/1036252066.db2.gz MXGVTNJRBFPKCF-UHFFFAOYSA-N 1 2 340.471 3.844 20 0 EHADLO COc1ccnc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)c1OC ZINC000190572984 1036257409 /nfs/dbraw/zinc/25/74/09/1036257409.db2.gz ZRCFUWUJWHLFHV-KRWDZBQOSA-N 1 2 344.480 3.697 20 0 EHADLO COc1ccnc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)c1OC ZINC000190572984 1036257426 /nfs/dbraw/zinc/25/74/26/1036257426.db2.gz ZRCFUWUJWHLFHV-KRWDZBQOSA-N 1 2 344.480 3.697 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cc2ccccc2o1 ZINC000175194891 1036273265 /nfs/dbraw/zinc/27/32/65/1036273265.db2.gz IUXGNRGLTKWNSE-UHFFFAOYSA-N 1 2 341.411 3.789 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cc2ccccc2o1 ZINC000175194891 1036273284 /nfs/dbraw/zinc/27/32/84/1036273284.db2.gz IUXGNRGLTKWNSE-UHFFFAOYSA-N 1 2 341.411 3.789 20 0 EHADLO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC=C(F)C1 ZINC000492811168 1036303781 /nfs/dbraw/zinc/30/37/81/1036303781.db2.gz VRKUFDRQCGTGQC-IBGZPJMESA-N 1 2 327.399 3.652 20 0 EHADLO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC=C(F)C1 ZINC000492811168 1036303798 /nfs/dbraw/zinc/30/37/98/1036303798.db2.gz VRKUFDRQCGTGQC-IBGZPJMESA-N 1 2 327.399 3.652 20 0 EHADLO CO[C@@H](C)c1noc(CSCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000190964594 1036309755 /nfs/dbraw/zinc/30/97/55/1036309755.db2.gz IUTVOJRDTVNLER-ZDUSSCGKSA-N 1 2 344.440 3.705 20 0 EHADLO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2CC[C@@H](C)O2)n1 ZINC000190899430 1036318656 /nfs/dbraw/zinc/31/86/56/1036318656.db2.gz GGSJJEQAYGTFDW-YLJYHZDGSA-N 1 2 325.456 3.663 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)c1OC ZINC000191062032 1036333474 /nfs/dbraw/zinc/33/34/74/1036333474.db2.gz NYSUJJIOFVTBAT-QGZVFWFLSA-N 1 2 336.382 3.864 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000589283394 1036340612 /nfs/dbraw/zinc/34/06/12/1036340612.db2.gz HPIAHHOXLVCWRQ-IRXDYDNUSA-N 1 2 329.488 3.583 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CSCCc3ccccc32)n1 ZINC000414262595 1036342159 /nfs/dbraw/zinc/34/21/59/1036342159.db2.gz RZLWOQOFCHPJRB-CYBMUJFWSA-N 1 2 339.386 3.616 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CSCCc3ccccc32)n1 ZINC000414262596 1036343690 /nfs/dbraw/zinc/34/36/90/1036343690.db2.gz RZLWOQOFCHPJRB-ZDUSSCGKSA-N 1 2 339.386 3.616 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(C(C)(C)C)cc1 ZINC000414262858 1036345538 /nfs/dbraw/zinc/34/55/38/1036345538.db2.gz DFSYUCJBGVYHBH-SFHVURJKSA-N 1 2 337.471 3.909 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492838803 1036355696 /nfs/dbraw/zinc/35/56/96/1036355696.db2.gz KUAGCNWGRQWCFE-YWEYNIOJSA-N 1 2 338.798 3.632 20 0 EHADLO Brc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)o1 ZINC000191269622 1036359336 /nfs/dbraw/zinc/35/93/36/1036359336.db2.gz SYSKURXZRIXPDB-CYBMUJFWSA-N 1 2 340.217 3.816 20 0 EHADLO Brc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)o1 ZINC000191269622 1036359355 /nfs/dbraw/zinc/35/93/55/1036359355.db2.gz SYSKURXZRIXPDB-CYBMUJFWSA-N 1 2 340.217 3.816 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)(C)C ZINC000191337381 1036368917 /nfs/dbraw/zinc/36/89/17/1036368917.db2.gz WESWKMZRKPFFOE-BBRMVZONSA-N 1 2 344.507 3.847 20 0 EHADLO Cc1cc(C)c2c(c1)N(C(=O)Cc1cn3cccc(C)c3[nH+]1)CCC2 ZINC000589388430 1036386100 /nfs/dbraw/zinc/38/61/00/1036386100.db2.gz CXNWORWOKHRTAO-UHFFFAOYSA-N 1 2 333.435 3.781 20 0 EHADLO OCc1cc[nH+]c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000641285905 1036409291 /nfs/dbraw/zinc/40/92/91/1036409291.db2.gz MINJWEMOKIAMOF-NXEZZACHSA-N 1 2 342.283 3.895 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000457675009 1036409844 /nfs/dbraw/zinc/40/98/44/1036409844.db2.gz WTBFSTSDHLUASS-GOSISDBHSA-N 1 2 343.471 3.563 20 0 EHADLO CC(C)(C)C[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(F)cc1 ZINC000414274686 1036416279 /nfs/dbraw/zinc/41/62/79/1036416279.db2.gz VINKBFLWUYWEOA-OAHLLOKOSA-N 1 2 327.407 3.531 20 0 EHADLO O=C(c1cnc2ccccc2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000457704213 1036421494 /nfs/dbraw/zinc/42/14/94/1036421494.db2.gz GMDWOIGFZCSWMW-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000535383302 1036426111 /nfs/dbraw/zinc/42/61/11/1036426111.db2.gz UFEUHTRHNDYMHX-KRWDZBQOSA-N 1 2 343.414 3.724 20 0 EHADLO CC(C)CCOCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000535383302 1036426121 /nfs/dbraw/zinc/42/61/21/1036426121.db2.gz UFEUHTRHNDYMHX-KRWDZBQOSA-N 1 2 343.414 3.724 20 0 EHADLO Fc1cc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1Cl ZINC000192065779 1036462790 /nfs/dbraw/zinc/46/27/90/1036462790.db2.gz QRZFJORCRLFPTQ-MRXNPFEDSA-N 1 2 325.767 3.524 20 0 EHADLO Fc1cc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1Cl ZINC000192065779 1036462791 /nfs/dbraw/zinc/46/27/91/1036462791.db2.gz QRZFJORCRLFPTQ-MRXNPFEDSA-N 1 2 325.767 3.524 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1OC ZINC000192151460 1036477891 /nfs/dbraw/zinc/47/78/91/1036477891.db2.gz ARXQHYRQRYOAHD-HNNXBMFYSA-N 1 2 329.444 3.905 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1nc(-c2cccnc2)no1 ZINC000192353151 1036499026 /nfs/dbraw/zinc/49/90/26/1036499026.db2.gz CDAWZMADVDOPPN-MLGOLLRUSA-N 1 2 336.395 3.565 20 0 EHADLO Cc1csc2c1ncnc2NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000192529358 1036527255 /nfs/dbraw/zinc/52/72/55/1036527255.db2.gz UTQXDLAUGITZHD-UHFFFAOYSA-N 1 2 339.399 3.937 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000541658262 1036544988 /nfs/dbraw/zinc/54/49/88/1036544988.db2.gz FVFVDYHEYOGTOI-NSHDSACASA-N 1 2 335.448 3.869 20 0 EHADLO CCN(CC)C(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000192775211 1036548919 /nfs/dbraw/zinc/54/89/19/1036548919.db2.gz FKNOQQHBPPJFLK-UHFFFAOYSA-N 1 2 348.450 3.966 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2ccccc2Oc2ccncc2)c1 ZINC000669909560 1036569161 /nfs/dbraw/zinc/56/91/61/1036569161.db2.gz PPUZVSANGFOMTR-UHFFFAOYSA-N 1 2 334.379 3.587 20 0 EHADLO FC(F)(F)COCc1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000589640248 1036570892 /nfs/dbraw/zinc/57/08/92/1036570892.db2.gz MBNLYTBMMFNCOU-UHFFFAOYSA-N 1 2 349.356 3.932 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](CC)c2ccn(C)n2)c1OC(F)F ZINC000541732829 1036601331 /nfs/dbraw/zinc/60/13/31/1036601331.db2.gz AJFUBOSNWMOROD-CYBMUJFWSA-N 1 2 339.386 3.661 20 0 EHADLO CC[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H]1CCCO1 ZINC000175901791 1036605712 /nfs/dbraw/zinc/60/57/12/1036605712.db2.gz BSSLPGXXAZJMMC-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO CC[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H]1CCCO1 ZINC000175901791 1036605717 /nfs/dbraw/zinc/60/57/17/1036605717.db2.gz BSSLPGXXAZJMMC-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1OC ZINC000541779438 1036632580 /nfs/dbraw/zinc/63/25/80/1036632580.db2.gz XKADWBOVDCDOKH-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1OC ZINC000541779438 1036632587 /nfs/dbraw/zinc/63/25/87/1036632587.db2.gz XKADWBOVDCDOKH-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000493074690 1036639596 /nfs/dbraw/zinc/63/95/96/1036639596.db2.gz VIBWDAIELSEVNK-UZYOAWRESA-N 1 2 349.356 3.848 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000493089370 1036659328 /nfs/dbraw/zinc/65/93/28/1036659328.db2.gz SRIMKOUOWFCAHF-CMDGGOBGSA-N 1 2 347.422 3.600 20 0 EHADLO C[C@@H](SCCCC(C)(C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000589973485 1036684789 /nfs/dbraw/zinc/68/47/89/1036684789.db2.gz IJQKDPRAESCKIL-MRXNPFEDSA-N 1 2 349.544 3.678 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000170707649 1036704567 /nfs/dbraw/zinc/70/45/67/1036704567.db2.gz LJNNGQIILIBBSR-UHFFFAOYSA-N 1 2 348.834 3.723 20 0 EHADLO O=C(c1sccc1-c1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987789 1036706284 /nfs/dbraw/zinc/70/62/84/1036706284.db2.gz IUHUDARZPOTILQ-UHFFFAOYSA-N 1 2 336.416 3.714 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000535604371 1036715949 /nfs/dbraw/zinc/71/59/49/1036715949.db2.gz TZKNJPFNYNCVOV-MRXNPFEDSA-N 1 2 332.488 3.838 20 0 EHADLO Cc1nnc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)s1 ZINC000541882228 1036756284 /nfs/dbraw/zinc/75/62/84/1036756284.db2.gz RLEJHNJLXOSVLN-INIZCTEOSA-N 1 2 329.469 3.729 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc3ccccc3nc2OC)o1 ZINC000539502455 1036820867 /nfs/dbraw/zinc/82/08/67/1036820867.db2.gz CANIZBDEBVKXHS-SFHVURJKSA-N 1 2 340.423 3.876 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)N(Cc1cc(OC)cc(C)[nH+]1)[C@H]2C ZINC000541922157 1036822747 /nfs/dbraw/zinc/82/27/47/1036822747.db2.gz PPIRFLRGACEBJR-CABCVRRESA-N 1 2 326.440 3.915 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162285114 1036839119 /nfs/dbraw/zinc/83/91/19/1036839119.db2.gz ULCGREFRGXIJSU-KGLIPLIRSA-N 1 2 336.505 3.594 20 0 EHADLO C[C@@](CO)([NH2+]Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000237656369 1036850708 /nfs/dbraw/zinc/85/07/08/1036850708.db2.gz PHZOFXFHXWFVNR-KRWDZBQOSA-N 1 2 330.478 3.869 20 0 EHADLO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C)cc1 ZINC000103298934 1036882069 /nfs/dbraw/zinc/88/20/69/1036882069.db2.gz YLTUMCPHNCSJMT-SFHVURJKSA-N 1 2 326.444 3.689 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccco2)C1 ZINC000464847900 1036891905 /nfs/dbraw/zinc/89/19/05/1036891905.db2.gz HRLSZTGQTFKFGJ-LRDDRELGSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccco2)C1 ZINC000464847900 1036891924 /nfs/dbraw/zinc/89/19/24/1036891924.db2.gz HRLSZTGQTFKFGJ-LRDDRELGSA-N 1 2 334.366 3.970 20 0 EHADLO Cc1ccc(CCCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000376452938 1036927952 /nfs/dbraw/zinc/92/79/52/1036927952.db2.gz AYTDINDTWXFGFA-UHFFFAOYSA-N 1 2 325.456 3.509 20 0 EHADLO Nc1nc(C[NH+]2CCC(=Cc3ccccc3F)CC2)nc2ccccc12 ZINC000464875353 1036941855 /nfs/dbraw/zinc/94/18/55/1036941855.db2.gz KQYILXLPLMAROD-UHFFFAOYSA-N 1 2 348.425 3.861 20 0 EHADLO Fc1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)cc1 ZINC000539600954 1036983538 /nfs/dbraw/zinc/98/35/38/1036983538.db2.gz SYWSCYRMKNONBG-IBGZPJMESA-N 1 2 327.403 3.621 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725757 1037007200 /nfs/dbraw/zinc/00/72/00/1037007200.db2.gz UKRLAIHURPSRCF-OAHLLOKOSA-N 1 2 347.846 3.801 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000590730039 1037033294 /nfs/dbraw/zinc/03/32/94/1037033294.db2.gz HEMAFRQUGWWVED-QGZVFWFLSA-N 1 2 343.496 3.846 20 0 EHADLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCCC1 ZINC000053153306 1037051032 /nfs/dbraw/zinc/05/10/32/1037051032.db2.gz DPJRJMWFDHNBNB-UHFFFAOYSA-N 1 2 331.485 3.667 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000666451405 1037063109 /nfs/dbraw/zinc/06/31/09/1037063109.db2.gz XOSYXZAIZLTCFZ-MRXNPFEDSA-N 1 2 325.456 3.678 20 0 EHADLO CC[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000666451580 1037066799 /nfs/dbraw/zinc/06/67/99/1037066799.db2.gz LORIVRGPIMIERC-KRWDZBQOSA-N 1 2 336.439 3.912 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)CC[S@](=O)c1ccccc1 ZINC000104663613 1037080286 /nfs/dbraw/zinc/08/02/86/1037080286.db2.gz BKWHDUMWEBBQLT-JOCHJYFZSA-N 1 2 337.872 3.588 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)CC[S@](=O)c1ccccc1 ZINC000104663613 1037080300 /nfs/dbraw/zinc/08/03/00/1037080300.db2.gz BKWHDUMWEBBQLT-JOCHJYFZSA-N 1 2 337.872 3.588 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000590848426 1037082598 /nfs/dbraw/zinc/08/25/98/1037082598.db2.gz LLHHIASEHWMWHT-RTBURBONSA-N 1 2 338.455 3.689 20 0 EHADLO CC(C)[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590857925 1037103022 /nfs/dbraw/zinc/10/30/22/1037103022.db2.gz LDYXXSCZDAKFGX-MOPGFXCFSA-N 1 2 340.471 3.669 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590863047 1037105845 /nfs/dbraw/zinc/10/58/45/1037105845.db2.gz XBIJVSKFUQXTCS-GOSISDBHSA-N 1 2 340.471 3.516 20 0 EHADLO Cc1cc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc[nH+]1 ZINC000104827847 1037111974 /nfs/dbraw/zinc/11/19/74/1037111974.db2.gz MPBLZCUODQMKPC-UHFFFAOYSA-N 1 2 327.771 3.880 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1nc2cccnc2s1 ZINC000376481585 1037133044 /nfs/dbraw/zinc/13/30/44/1037133044.db2.gz JUNGCSZCCQTJLS-UHFFFAOYSA-N 1 2 335.392 3.642 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2cccc(F)c2)c1C ZINC000491336752 1037142385 /nfs/dbraw/zinc/14/23/85/1037142385.db2.gz WPVLKBHANLSTEP-HJWRWDBZSA-N 1 2 328.387 3.518 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)CCCn2cc[nH+]c2)s1 ZINC001126706775 1037157228 /nfs/dbraw/zinc/15/72/28/1037157228.db2.gz VBRLDAMIAZGVQF-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000573018264 1037157648 /nfs/dbraw/zinc/15/76/48/1037157648.db2.gz HIWXBDXSQAEZAN-GOSISDBHSA-N 1 2 336.501 3.572 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000573018264 1037157660 /nfs/dbraw/zinc/15/76/60/1037157660.db2.gz HIWXBDXSQAEZAN-GOSISDBHSA-N 1 2 336.501 3.572 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)o1 ZINC000539763609 1037161179 /nfs/dbraw/zinc/16/11/79/1037161179.db2.gz ULRYFSLLVGCPDY-OAHLLOKOSA-N 1 2 343.475 3.782 20 0 EHADLO CC(C)CN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539810050 1037224769 /nfs/dbraw/zinc/22/47/69/1037224769.db2.gz GLCDROHSBBNENS-UHFFFAOYSA-N 1 2 334.423 3.566 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1OC(F)F ZINC000532441408 1037293154 /nfs/dbraw/zinc/29/31/54/1037293154.db2.gz JEEHZYBWVZHOLI-LLVKDONJSA-N 1 2 335.329 3.926 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136004 1037294546 /nfs/dbraw/zinc/29/45/46/1037294546.db2.gz MOYSAZFFPNMPOZ-YJBOKZPZSA-N 1 2 325.456 3.557 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136004 1037294565 /nfs/dbraw/zinc/29/45/65/1037294565.db2.gz MOYSAZFFPNMPOZ-YJBOKZPZSA-N 1 2 325.456 3.557 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000539910513 1037357366 /nfs/dbraw/zinc/35/73/66/1037357366.db2.gz YYMUIMLSELAUFX-UHFFFAOYSA-N 1 2 336.501 3.572 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000539910513 1037357387 /nfs/dbraw/zinc/35/73/87/1037357387.db2.gz YYMUIMLSELAUFX-UHFFFAOYSA-N 1 2 336.501 3.572 20 0 EHADLO O=C(/C=C\c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000493433524 1037363779 /nfs/dbraw/zinc/36/37/79/1037363779.db2.gz MRQRSQRPYSXHKJ-KTKRTIGZSA-N 1 2 335.451 3.639 20 0 EHADLO C[C@]1(F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000539924524 1037373277 /nfs/dbraw/zinc/37/32/77/1037373277.db2.gz GKXJGWXLCZJSKS-RDJZCZTQSA-N 1 2 327.827 3.832 20 0 EHADLO C[C@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000539924524 1037373285 /nfs/dbraw/zinc/37/32/85/1037373285.db2.gz GKXJGWXLCZJSKS-RDJZCZTQSA-N 1 2 327.827 3.832 20 0 EHADLO CS[C@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301288065 1037377629 /nfs/dbraw/zinc/37/76/29/1037377629.db2.gz NPZONZYXXBCBNW-ZFWWWQNUSA-N 1 2 339.468 3.902 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+]3CCc4[nH]c5ccc(C)cc5c4C3)cc12 ZINC000591382623 1037382765 /nfs/dbraw/zinc/38/27/65/1037382765.db2.gz ABVXPHGUHIPFQT-UHFFFAOYSA-N 1 2 345.450 3.625 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+]3CCc4[nH]c5ccc(C)cc5c4C3)cc12 ZINC000591382623 1037382782 /nfs/dbraw/zinc/38/27/82/1037382782.db2.gz ABVXPHGUHIPFQT-UHFFFAOYSA-N 1 2 345.450 3.625 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC3 ZINC000591382539 1037382929 /nfs/dbraw/zinc/38/29/29/1037382929.db2.gz ZUHWMNJAWFYGKI-INIZCTEOSA-N 1 2 341.499 3.868 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC3 ZINC000591382539 1037382946 /nfs/dbraw/zinc/38/29/46/1037382946.db2.gz ZUHWMNJAWFYGKI-INIZCTEOSA-N 1 2 341.499 3.868 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000171092527 1037453830 /nfs/dbraw/zinc/45/38/30/1037453830.db2.gz UBNNXXOYPDXUMI-MRXNPFEDSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000171092527 1037453843 /nfs/dbraw/zinc/45/38/43/1037453843.db2.gz UBNNXXOYPDXUMI-MRXNPFEDSA-N 1 2 327.428 3.572 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000914260871 1037455577 /nfs/dbraw/zinc/45/55/77/1037455577.db2.gz DONGHTPFNDSLSP-MRXNPFEDSA-N 1 2 338.455 3.737 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000493544240 1037465315 /nfs/dbraw/zinc/46/53/15/1037465315.db2.gz HNAPCMPTXQZTHB-PSKZRQQASA-N 1 2 346.228 3.549 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000171140228 1037474953 /nfs/dbraw/zinc/47/49/53/1037474953.db2.gz FRHDLJSJXPOXEF-AWEZNQCLSA-N 1 2 325.412 3.511 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000152653889 1037492487 /nfs/dbraw/zinc/49/24/87/1037492487.db2.gz QUBVUZRVZIKNMS-NEPJUHHUSA-N 1 2 329.366 3.763 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000760844516 1037522095 /nfs/dbraw/zinc/52/20/95/1037522095.db2.gz UTZWFQQTYSTMKY-DZGCQCFKSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000760844516 1037522110 /nfs/dbraw/zinc/52/21/10/1037522110.db2.gz UTZWFQQTYSTMKY-DZGCQCFKSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000591597223 1037522773 /nfs/dbraw/zinc/52/27/73/1037522773.db2.gz AZVCCAFMCMTFBX-SJORKVTESA-N 1 2 332.492 3.788 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000462903948 1037533094 /nfs/dbraw/zinc/53/30/94/1037533094.db2.gz UFMDIGKXQDTVCB-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000462903948 1037533105 /nfs/dbraw/zinc/53/31/05/1037533105.db2.gz UFMDIGKXQDTVCB-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3c2cc(F)cc3F)s1 ZINC000591660651 1037537112 /nfs/dbraw/zinc/53/71/12/1037537112.db2.gz RTEOGQFPESDKDG-OQPBUACISA-N 1 2 338.379 3.546 20 0 EHADLO Cc1cccc(O[C@H](C)CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000462908002 1037537444 /nfs/dbraw/zinc/53/74/44/1037537444.db2.gz IDZXAIICBBCGHS-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1cccc(O[C@H](C)CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000462908002 1037537454 /nfs/dbraw/zinc/53/74/54/1037537454.db2.gz IDZXAIICBBCGHS-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCC(OCC3CCCC3)CC2)c1C ZINC000177502620 1037561159 /nfs/dbraw/zinc/56/11/59/1037561159.db2.gz JLHNQXGROLBGRZ-UHFFFAOYSA-N 1 2 332.488 3.878 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)s1 ZINC000760879314 1037567385 /nfs/dbraw/zinc/56/73/85/1037567385.db2.gz CQIJJOMUYJNFDL-NWDGAFQWSA-N 1 2 327.457 3.752 20 0 EHADLO Cc1ccccc1/C=C\C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493715233 1037575040 /nfs/dbraw/zinc/57/50/40/1037575040.db2.gz BWPIUHHBZFTNQD-YAINUAMHSA-N 1 2 349.478 3.947 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000925272711 1037609908 /nfs/dbraw/zinc/60/99/08/1037609908.db2.gz VFACYWURVJGGCV-CHWSQXEVSA-N 1 2 346.450 3.946 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1sccc1Br ZINC000540155665 1037630035 /nfs/dbraw/zinc/63/00/35/1037630035.db2.gz AWYWJDJNOUXNQA-KWQFWETISA-N 1 2 326.263 3.962 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1sccc1Br ZINC000540155665 1037630044 /nfs/dbraw/zinc/63/00/44/1037630044.db2.gz AWYWJDJNOUXNQA-KWQFWETISA-N 1 2 326.263 3.962 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(F)cccc3C2)c1C ZINC000152735669 1037623553 /nfs/dbraw/zinc/62/35/53/1037623553.db2.gz NYASBGAGNZGJTO-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(F)cccc3C2)c1C ZINC000152735669 1037623564 /nfs/dbraw/zinc/62/35/64/1037623564.db2.gz NYASBGAGNZGJTO-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462992311 1037625914 /nfs/dbraw/zinc/62/59/14/1037625914.db2.gz LBKABTWMXKTKOD-CABCVRRESA-N 1 2 338.442 3.728 20 0 EHADLO CC(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462992311 1037625924 /nfs/dbraw/zinc/62/59/24/1037625924.db2.gz LBKABTWMXKTKOD-CABCVRRESA-N 1 2 338.442 3.728 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000532559170 1037634669 /nfs/dbraw/zinc/63/46/69/1037634669.db2.gz VSXNICJLVMQMKT-GFCCVEGCSA-N 1 2 325.250 3.570 20 0 EHADLO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000532559170 1037634678 /nfs/dbraw/zinc/63/46/78/1037634678.db2.gz VSXNICJLVMQMKT-GFCCVEGCSA-N 1 2 325.250 3.570 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc(F)cc1F ZINC000463022635 1037653685 /nfs/dbraw/zinc/65/36/85/1037653685.db2.gz FGASMCFTOQAWFA-CYBMUJFWSA-N 1 2 332.398 3.961 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)cc1F ZINC000463022635 1037653700 /nfs/dbraw/zinc/65/37/00/1037653700.db2.gz FGASMCFTOQAWFA-CYBMUJFWSA-N 1 2 332.398 3.961 20 0 EHADLO CCC[C@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1ccccn1 ZINC000913711336 1037653655 /nfs/dbraw/zinc/65/36/55/1037653655.db2.gz PYNRKXJNWGPHLX-SFHVURJKSA-N 1 2 348.450 3.645 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646131721 1037676921 /nfs/dbraw/zinc/67/69/21/1037676921.db2.gz HBJFQKRTUHIBOJ-HUUCEWRRSA-N 1 2 327.428 3.831 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646131721 1037676930 /nfs/dbraw/zinc/67/69/30/1037676930.db2.gz HBJFQKRTUHIBOJ-HUUCEWRRSA-N 1 2 327.428 3.831 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000591927650 1037699448 /nfs/dbraw/zinc/69/94/48/1037699448.db2.gz RIMFXQQZUSWORZ-CQSZACIVSA-N 1 2 330.403 3.790 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)sc1-c1ccccc1 ZINC000151544693 1037702869 /nfs/dbraw/zinc/70/28/69/1037702869.db2.gz FPBCWPLZDBEUPQ-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000463064864 1037718030 /nfs/dbraw/zinc/71/80/30/1037718030.db2.gz RKCSQYKWHWIBPB-UYAOXDASSA-N 1 2 337.467 3.973 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc2ccccc21 ZINC000029554342 1037725016 /nfs/dbraw/zinc/72/50/16/1037725016.db2.gz GNQOAQILYMSKAQ-UHFFFAOYSA-N 1 2 331.419 3.765 20 0 EHADLO CCOc1c(F)cccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000172939208 1037777416 /nfs/dbraw/zinc/77/74/16/1037777416.db2.gz BEURUSAMYNJISE-UHFFFAOYSA-N 1 2 325.343 3.867 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccsc3)n2)c(OC)c1 ZINC000669939998 1037789351 /nfs/dbraw/zinc/78/93/51/1037789351.db2.gz SITFOWCTOYTDDI-LLVKDONJSA-N 1 2 345.424 3.666 20 0 EHADLO CC(C)n1cc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)cn1 ZINC000179436556 1037796004 /nfs/dbraw/zinc/79/60/04/1037796004.db2.gz HBEPABSSPZBCLJ-OAHLLOKOSA-N 1 2 348.441 3.621 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378071479 1037809533 /nfs/dbraw/zinc/80/95/33/1037809533.db2.gz FSTFKGNMCBCESF-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378071479 1037809546 /nfs/dbraw/zinc/80/95/46/1037809546.db2.gz FSTFKGNMCBCESF-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H](C)c2cccc(F)c2)[nH+]1 ZINC000151887956 1037825308 /nfs/dbraw/zinc/82/53/08/1037825308.db2.gz ZSMKKQIVENVUMF-INIZCTEOSA-N 1 2 345.414 3.825 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2c(F)cccc2F)n1 ZINC000592075976 1037829546 /nfs/dbraw/zinc/82/95/46/1037829546.db2.gz SVENYYWTOTXDHY-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2c(F)cccc2F)n1 ZINC000592075976 1037829573 /nfs/dbraw/zinc/82/95/73/1037829573.db2.gz SVENYYWTOTXDHY-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378084686 1037865124 /nfs/dbraw/zinc/86/51/24/1037865124.db2.gz MMQMIDLKIVQDJS-UHFFFAOYSA-N 1 2 339.439 3.775 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378084686 1037865136 /nfs/dbraw/zinc/86/51/36/1037865136.db2.gz MMQMIDLKIVQDJS-UHFFFAOYSA-N 1 2 339.439 3.775 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119318115 1037898299 /nfs/dbraw/zinc/89/82/99/1037898299.db2.gz UMUOKUVKECVOBE-HNNXBMFYSA-N 1 2 343.496 3.545 20 0 EHADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119375260 1037898642 /nfs/dbraw/zinc/89/86/42/1037898642.db2.gz QTHONAFJORVVSO-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccccc2C)c1C ZINC000058466624 1037949829 /nfs/dbraw/zinc/94/98/29/1037949829.db2.gz HWZLODRHLYPPIW-UHFFFAOYSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc4ccccc4nc3Cl)C2)n[nH]1 ZINC000760964348 1037953721 /nfs/dbraw/zinc/95/37/21/1037953721.db2.gz ZRHIIAYTZYEICT-CQSZACIVSA-N 1 2 341.846 3.694 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)n[nH]1 ZINC000760964348 1037953741 /nfs/dbraw/zinc/95/37/41/1037953741.db2.gz ZRHIIAYTZYEICT-CQSZACIVSA-N 1 2 341.846 3.694 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000492087362 1037971131 /nfs/dbraw/zinc/97/11/31/1037971131.db2.gz RAIVWSQFILGJRI-HWKANZROSA-N 1 2 343.736 3.720 20 0 EHADLO Cc1cccc(CSCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123533082 1038036037 /nfs/dbraw/zinc/03/60/37/1038036037.db2.gz GTCDFBVNPLUIMJ-WMZOPIPTSA-N 1 2 343.496 3.534 20 0 EHADLO Cc1nc2ccc(CNc3cc(CSCCO)cc[nH+]3)cc2s1 ZINC000492148624 1038039288 /nfs/dbraw/zinc/03/92/88/1038039288.db2.gz BFBKMLLWKUBSTK-UHFFFAOYSA-N 1 2 345.493 3.837 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000041219315 1038077895 /nfs/dbraw/zinc/07/78/95/1038077895.db2.gz KEGXDVQEWPLRAV-PXNSSMCTSA-N 1 2 348.450 3.669 20 0 EHADLO Fc1cccc2c1CC[N@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000123818180 1038084763 /nfs/dbraw/zinc/08/47/63/1038084763.db2.gz MFMVOSIYEBAMSZ-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Fc1cccc2c1CC[N@@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000123818180 1038084776 /nfs/dbraw/zinc/08/47/76/1038084776.db2.gz MFMVOSIYEBAMSZ-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO CCn1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000124171884 1038145257 /nfs/dbraw/zinc/14/52/57/1038145257.db2.gz BQCMREDJCVSMLL-HNAYVOBHSA-N 1 2 336.439 3.581 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000125206708 1038292867 /nfs/dbraw/zinc/29/28/67/1038292867.db2.gz VKIYQKSJFXXZKR-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC000378250792 1038299460 /nfs/dbraw/zinc/29/94/60/1038299460.db2.gz UONRSJKGICRWBL-LQDVMPOASA-N 1 2 337.489 3.553 20 0 EHADLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC000378250792 1038299482 /nfs/dbraw/zinc/29/94/82/1038299482.db2.gz UONRSJKGICRWBL-LQDVMPOASA-N 1 2 337.489 3.553 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cs1 ZINC000125489540 1038334159 /nfs/dbraw/zinc/33/41/59/1038334159.db2.gz UKMRHHBUFUBKMR-UHFFFAOYSA-N 1 2 347.459 3.695 20 0 EHADLO CCc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nc1 ZINC000549409237 1038343785 /nfs/dbraw/zinc/34/37/85/1038343785.db2.gz VAPGBOZNPXBSBU-HNNXBMFYSA-N 1 2 345.437 3.801 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCCC2 ZINC000538509362 1038350067 /nfs/dbraw/zinc/35/00/67/1038350067.db2.gz OYGYDFGNPQLPSW-UXHICEINSA-N 1 2 344.499 3.981 20 0 EHADLO C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000538528714 1038361002 /nfs/dbraw/zinc/36/10/02/1038361002.db2.gz XACHILGWSSAWEY-QGZVFWFLSA-N 1 2 348.450 3.882 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001168359156 1038384500 /nfs/dbraw/zinc/38/45/00/1038384500.db2.gz OOQYVWGWAWXYHA-BLIJAFNYSA-N 1 2 341.455 3.625 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(C(C)C)CC3)cn2c1 ZINC000461423653 1038410829 /nfs/dbraw/zinc/41/08/29/1038410829.db2.gz RMDWPWNMYLIXFF-UHFFFAOYSA-N 1 2 345.512 3.771 20 0 EHADLO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000659944175 1038456337 /nfs/dbraw/zinc/45/63/37/1038456337.db2.gz RGYAVOQLGIWCGV-NSHDSACASA-N 1 2 329.391 3.928 20 0 EHADLO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000659944175 1038456347 /nfs/dbraw/zinc/45/63/47/1038456347.db2.gz RGYAVOQLGIWCGV-NSHDSACASA-N 1 2 329.391 3.928 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000659945051 1038463446 /nfs/dbraw/zinc/46/34/46/1038463446.db2.gz ZACHBPAOGAKMAA-UONOGXRCSA-N 1 2 347.684 3.623 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000659945051 1038463449 /nfs/dbraw/zinc/46/34/49/1038463449.db2.gz ZACHBPAOGAKMAA-UONOGXRCSA-N 1 2 347.684 3.623 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(c2ccccc2Cl)CCC1 ZINC000651357511 1038477212 /nfs/dbraw/zinc/47/72/12/1038477212.db2.gz ZYABCWKBNAXLND-UHFFFAOYSA-N 1 2 343.858 3.775 20 0 EHADLO COc1sc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1Br ZINC000538727290 1038494412 /nfs/dbraw/zinc/49/44/12/1038494412.db2.gz GVIHXTDHCCAEQP-IUCAKERBSA-N 1 2 336.320 3.845 20 0 EHADLO COc1sc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1Br ZINC000538727290 1038494416 /nfs/dbraw/zinc/49/44/16/1038494416.db2.gz GVIHXTDHCCAEQP-IUCAKERBSA-N 1 2 336.320 3.845 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)s1 ZINC000538730051 1038497660 /nfs/dbraw/zinc/49/76/60/1038497660.db2.gz AXFHHMOOBJGMOD-CJNGLKHVSA-N 1 2 331.485 3.744 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000538735840 1038500497 /nfs/dbraw/zinc/50/04/97/1038500497.db2.gz GRJOGRWZGTZRCW-LJQANCHMSA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000538735840 1038500503 /nfs/dbraw/zinc/50/05/03/1038500503.db2.gz GRJOGRWZGTZRCW-LJQANCHMSA-N 1 2 336.460 3.902 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000339164101 1038516835 /nfs/dbraw/zinc/51/68/35/1038516835.db2.gz AZUYWLRNGCJTDH-ACJLOTCBSA-N 1 2 333.863 3.910 20 0 EHADLO Cc1nccn1CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339167232 1038526079 /nfs/dbraw/zinc/52/60/79/1038526079.db2.gz CGAZVBUJWAZOLO-INIZCTEOSA-N 1 2 349.276 3.576 20 0 EHADLO Cc1nccn1CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339167232 1038526086 /nfs/dbraw/zinc/52/60/86/1038526086.db2.gz CGAZVBUJWAZOLO-INIZCTEOSA-N 1 2 349.276 3.576 20 0 EHADLO Cc1nccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339167236 1038526332 /nfs/dbraw/zinc/52/63/32/1038526332.db2.gz CGAZVBUJWAZOLO-MRXNPFEDSA-N 1 2 349.276 3.576 20 0 EHADLO Cc1nccn1CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339167236 1038526335 /nfs/dbraw/zinc/52/63/35/1038526335.db2.gz CGAZVBUJWAZOLO-MRXNPFEDSA-N 1 2 349.276 3.576 20 0 EHADLO COc1cc2c(cc1C[N@H+](C)Cc1cc(Cl)cn1C)O[C@H](C)C2 ZINC000538812751 1038549317 /nfs/dbraw/zinc/54/93/17/1038549317.db2.gz DSFXEDMZMWADAB-GFCCVEGCSA-N 1 2 334.847 3.643 20 0 EHADLO COc1cc2c(cc1C[N@@H+](C)Cc1cc(Cl)cn1C)O[C@H](C)C2 ZINC000538812751 1038549325 /nfs/dbraw/zinc/54/93/25/1038549325.db2.gz DSFXEDMZMWADAB-GFCCVEGCSA-N 1 2 334.847 3.643 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc(OC(F)F)c1 ZINC000378423865 1038605380 /nfs/dbraw/zinc/60/53/80/1038605380.db2.gz CKKWLGSJSAJFJA-NSHDSACASA-N 1 2 346.337 3.584 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182794341 1038638695 /nfs/dbraw/zinc/63/86/95/1038638695.db2.gz ALKOSZXJWKOCMH-INIZCTEOSA-N 1 2 330.501 3.806 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182794341 1038638702 /nfs/dbraw/zinc/63/87/02/1038638702.db2.gz ALKOSZXJWKOCMH-INIZCTEOSA-N 1 2 330.501 3.806 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651380614 1038645455 /nfs/dbraw/zinc/64/54/55/1038645455.db2.gz ZAUBKJUTFHWUOC-LJQANCHMSA-N 1 2 337.467 3.824 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nccs2)c(Cl)c1OC ZINC000116380147 1038660419 /nfs/dbraw/zinc/66/04/19/1038660419.db2.gz HMLBTVSXYFSYMI-UHFFFAOYSA-N 1 2 326.849 3.839 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000183049988 1038663393 /nfs/dbraw/zinc/66/33/93/1038663393.db2.gz BNLOOWNNUBSBOZ-CYBMUJFWSA-N 1 2 339.505 3.708 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000183049988 1038663395 /nfs/dbraw/zinc/66/33/95/1038663395.db2.gz BNLOOWNNUBSBOZ-CYBMUJFWSA-N 1 2 339.505 3.708 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC000660003969 1038678290 /nfs/dbraw/zinc/67/82/90/1038678290.db2.gz QSHVNXAPRIZMGA-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC000660003969 1038678295 /nfs/dbraw/zinc/67/82/95/1038678295.db2.gz QSHVNXAPRIZMGA-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO c1cn(CCCCNc2ncnc3sc4c(c32)CCCC4)c[nH+]1 ZINC000539292875 1038763759 /nfs/dbraw/zinc/76/37/59/1038763759.db2.gz UGQKAAQNQZEICH-UHFFFAOYSA-N 1 2 327.457 3.659 20 0 EHADLO Clc1ccccc1CCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363886686 1038772248 /nfs/dbraw/zinc/77/22/48/1038772248.db2.gz YAQOEYLWLXMZAR-QGZVFWFLSA-N 1 2 326.831 3.770 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2ccc3nccnc3c2)no1)n1cc[nH+]c1 ZINC000923900409 1038817440 /nfs/dbraw/zinc/81/74/40/1038817440.db2.gz CTRVFPHGXRRLKA-INIZCTEOSA-N 1 2 334.383 3.512 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cccc2nccn21 ZINC000539367530 1038830645 /nfs/dbraw/zinc/83/06/45/1038830645.db2.gz RNRCHTGJRCNUHU-LJQANCHMSA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cccc2nccn21 ZINC000539367530 1038830674 /nfs/dbraw/zinc/83/06/74/1038830674.db2.gz RNRCHTGJRCNUHU-LJQANCHMSA-N 1 2 345.450 3.948 20 0 EHADLO CCCn1nccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000667568767 1038846822 /nfs/dbraw/zinc/84/68/22/1038846822.db2.gz QHBSNZVWQCGVAA-LJQANCHMSA-N 1 2 337.471 4.000 20 0 EHADLO CCCn1nccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000667568767 1038846851 /nfs/dbraw/zinc/84/68/51/1038846851.db2.gz QHBSNZVWQCGVAA-LJQANCHMSA-N 1 2 337.471 4.000 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@H](c3cnn(C)c3)C(C)(C)C)n2)c1 ZINC000539376784 1038866455 /nfs/dbraw/zinc/86/64/55/1038866455.db2.gz KDEJURINVAPROY-QGZVFWFLSA-N 1 2 339.443 3.656 20 0 EHADLO CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000416685444 1038898210 /nfs/dbraw/zinc/89/82/10/1038898210.db2.gz NKQLUAHZMLEBAF-ROUUACIJSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCS[C@H](C)C1 ZINC000246576418 1038901602 /nfs/dbraw/zinc/90/16/02/1038901602.db2.gz FEGHNHBATTUROB-VXGBXAGGSA-N 1 2 337.876 3.812 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCS[C@H](C)C1 ZINC000246576418 1038901620 /nfs/dbraw/zinc/90/16/20/1038901620.db2.gz FEGHNHBATTUROB-VXGBXAGGSA-N 1 2 337.876 3.812 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC3(C)C)n2)C1 ZINC000554110599 1038912938 /nfs/dbraw/zinc/91/29/38/1038912938.db2.gz NMZGEPIIRQWEID-JSGCOSHPSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC3(C)C)n2)C1 ZINC000554110599 1038912955 /nfs/dbraw/zinc/91/29/55/1038912955.db2.gz NMZGEPIIRQWEID-JSGCOSHPSA-N 1 2 336.505 3.685 20 0 EHADLO CCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000500566302 1038997325 /nfs/dbraw/zinc/99/73/25/1038997325.db2.gz OYEVMUSKWDUDES-QGZVFWFLSA-N 1 2 332.488 3.556 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)cc1 ZINC000432743146 1039003143 /nfs/dbraw/zinc/00/31/43/1039003143.db2.gz SZFRWSXHEFVCFT-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ncc(C(F)(F)F)s1 ZINC000432743478 1039006251 /nfs/dbraw/zinc/00/62/51/1039006251.db2.gz VOXIQMPUUFMOHU-UHFFFAOYSA-N 1 2 344.337 3.705 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509745005 1039019919 /nfs/dbraw/zinc/01/99/19/1039019919.db2.gz IELYLZNFQZUFQP-WMZOPIPTSA-N 1 2 344.503 3.709 20 0 EHADLO COC(=O)c1ccc(CSCc2cc(OC)cc(C)[nH+]2)cc1F ZINC000554177069 1039023020 /nfs/dbraw/zinc/02/30/20/1039023020.db2.gz GSHGSORMBUYABE-UHFFFAOYSA-N 1 2 335.400 3.758 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000512407699 1039033187 /nfs/dbraw/zinc/03/31/87/1039033187.db2.gz ZQKOCWOFPRXMCF-NRFANRHFSA-N 1 2 346.430 3.678 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000667600403 1039041520 /nfs/dbraw/zinc/04/15/20/1039041520.db2.gz VHOCYRBUAPNWBN-GOSISDBHSA-N 1 2 326.444 3.739 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000667600403 1039041535 /nfs/dbraw/zinc/04/15/35/1039041535.db2.gz VHOCYRBUAPNWBN-GOSISDBHSA-N 1 2 326.444 3.739 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(Cl)ncc1Br ZINC001139807967 1039043475 /nfs/dbraw/zinc/04/34/75/1039043475.db2.gz PHPDFQYFFNIBOL-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(Cl)ncc1Br ZINC001139807967 1039043489 /nfs/dbraw/zinc/04/34/89/1039043489.db2.gz PHPDFQYFFNIBOL-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000488300432 1039066772 /nfs/dbraw/zinc/06/67/72/1039066772.db2.gz RXIJHGPZLUTSFR-MRXNPFEDSA-N 1 2 348.441 3.731 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000488300432 1039066788 /nfs/dbraw/zinc/06/67/88/1039066788.db2.gz RXIJHGPZLUTSFR-MRXNPFEDSA-N 1 2 348.441 3.731 20 0 EHADLO COc1ccncc1C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000554213936 1039067649 /nfs/dbraw/zinc/06/76/49/1039067649.db2.gz CNSKTKIDZPXYQX-UHFFFAOYSA-N 1 2 338.451 3.802 20 0 EHADLO CC1CCC([N@@H+](Cc2noc(C(C)(C)C)n2)C[C@H]2CCCO2)CC1 ZINC000195740716 1039087712 /nfs/dbraw/zinc/08/77/12/1039087712.db2.gz POVRTVMBKBWJRE-UYSNPLJNSA-N 1 2 335.492 3.927 20 0 EHADLO CC1CCC([N@H+](Cc2noc(C(C)(C)C)n2)C[C@H]2CCCO2)CC1 ZINC000195740716 1039087729 /nfs/dbraw/zinc/08/77/29/1039087729.db2.gz POVRTVMBKBWJRE-UYSNPLJNSA-N 1 2 335.492 3.927 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)c(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898469750 1039099483 /nfs/dbraw/zinc/09/94/83/1039099483.db2.gz DRNRLXWEPHLJIT-AYIQIARFSA-N 1 2 348.359 3.935 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)c(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898469750 1039099501 /nfs/dbraw/zinc/09/95/01/1039099501.db2.gz DRNRLXWEPHLJIT-AYIQIARFSA-N 1 2 348.359 3.935 20 0 EHADLO CCNC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000438301363 1039102991 /nfs/dbraw/zinc/10/29/91/1039102991.db2.gz FVLUFKKHOJEKLH-UHFFFAOYSA-N 1 2 348.450 3.602 20 0 EHADLO O=C(NC[C@@H]1CCCC12CC2)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000626222757 1039125220 /nfs/dbraw/zinc/12/52/20/1039125220.db2.gz XGGSXEFDVAAKLS-AWEZNQCLSA-N 1 2 348.516 3.831 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(SCc2ccccc2)c1 ZINC000554249371 1039128566 /nfs/dbraw/zinc/12/85/66/1039128566.db2.gz FNRNHIVJUHGHBI-OAHLLOKOSA-N 1 2 329.465 3.972 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(SCc2ccccc2)c1 ZINC000554249371 1039128572 /nfs/dbraw/zinc/12/85/72/1039128572.db2.gz FNRNHIVJUHGHBI-OAHLLOKOSA-N 1 2 329.465 3.972 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cncc(F)c1 ZINC000554264093 1039134328 /nfs/dbraw/zinc/13/43/28/1039134328.db2.gz LYJGIOJXGYVOCQ-UAGQMJEPSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cncc(F)c1 ZINC000554264093 1039134338 /nfs/dbraw/zinc/13/43/38/1039134338.db2.gz LYJGIOJXGYVOCQ-UAGQMJEPSA-N 1 2 334.435 3.696 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000488388273 1039136881 /nfs/dbraw/zinc/13/68/81/1039136881.db2.gz PMYHTTKQQLGNFL-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000488388273 1039136889 /nfs/dbraw/zinc/13/68/89/1039136889.db2.gz PMYHTTKQQLGNFL-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1OC ZINC000905861488 1039143593 /nfs/dbraw/zinc/14/35/93/1039143593.db2.gz GZPLAXCAFPTYDA-IEBWSBKVSA-N 1 2 344.430 3.705 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000061758900 1039158476 /nfs/dbraw/zinc/15/84/76/1039158476.db2.gz MJTMPPCRLVNUEH-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000061758900 1039158484 /nfs/dbraw/zinc/15/84/84/1039158484.db2.gz MJTMPPCRLVNUEH-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000061759577 1039168551 /nfs/dbraw/zinc/16/85/51/1039168551.db2.gz AOSORQHCUHDCAO-UHFFFAOYSA-N 1 2 328.909 3.870 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000061759577 1039168563 /nfs/dbraw/zinc/16/85/63/1039168563.db2.gz AOSORQHCUHDCAO-UHFFFAOYSA-N 1 2 328.909 3.870 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)s1 ZINC000554277923 1039174253 /nfs/dbraw/zinc/17/42/53/1039174253.db2.gz FOJDAHRVCZONMA-UHFFFAOYSA-N 1 2 332.454 3.728 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)c2cccc(C)c2)o1 ZINC000905915737 1039181124 /nfs/dbraw/zinc/18/11/24/1039181124.db2.gz WBUWWOPYIIULER-WOJBJXKFSA-N 1 2 349.434 3.519 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)c2cccc(C)c2)o1 ZINC000905915737 1039181133 /nfs/dbraw/zinc/18/11/33/1039181133.db2.gz WBUWWOPYIIULER-WOJBJXKFSA-N 1 2 349.434 3.519 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)CCc2cc(Cl)ccc2Cl)n1 ZINC000488468618 1039208995 /nfs/dbraw/zinc/20/89/95/1039208995.db2.gz SFEZZBSFVBPPIN-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)CCc2cc(Cl)ccc2Cl)n1 ZINC000488468618 1039209008 /nfs/dbraw/zinc/20/90/08/1039209008.db2.gz SFEZZBSFVBPPIN-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)n1 ZINC000552336801 1039209591 /nfs/dbraw/zinc/20/95/91/1039209591.db2.gz KBHCAXKYSDKVIU-VNQPRFMTSA-N 1 2 332.394 3.964 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000339201158 1039212328 /nfs/dbraw/zinc/21/23/28/1039212328.db2.gz PKHXRHSVDIOSOK-UKRRQHHQSA-N 1 2 331.847 3.648 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cc(Br)ccc2F)C1 ZINC000668511057 1039230088 /nfs/dbraw/zinc/23/00/88/1039230088.db2.gz CJANJUIWQAZXBJ-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO CC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000911142928 1039256925 /nfs/dbraw/zinc/25/69/25/1039256925.db2.gz YCHAUFBSQVFYHA-DLBZAZTESA-N 1 2 334.423 3.594 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488553382 1039267257 /nfs/dbraw/zinc/26/72/57/1039267257.db2.gz DSPJXPYLHURERY-HXUWFJFHSA-N 1 2 339.483 3.529 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488553382 1039267262 /nfs/dbraw/zinc/26/72/62/1039267262.db2.gz DSPJXPYLHURERY-HXUWFJFHSA-N 1 2 339.483 3.529 20 0 EHADLO Cc1cc(CNc2cc3c(cc2F)NC(=O)CC3)c2c([nH+]1)CCCC2 ZINC000893717324 1039269523 /nfs/dbraw/zinc/26/95/23/1039269523.db2.gz PIVQSKRNXQVJAJ-UHFFFAOYSA-N 1 2 339.414 3.905 20 0 EHADLO Cc1cccc2[nH]c(C[NH+]3CCN([C@@H](C)c4cccnc4)CC3)cc21 ZINC000667637452 1039297666 /nfs/dbraw/zinc/29/76/66/1039297666.db2.gz UEDJJFBHSJIVMP-KRWDZBQOSA-N 1 2 334.467 3.750 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000366338120 1039352882 /nfs/dbraw/zinc/35/28/82/1039352882.db2.gz BGPNXKBKSQTJPZ-KRWDZBQOSA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000366338120 1039352899 /nfs/dbraw/zinc/35/28/99/1039352899.db2.gz BGPNXKBKSQTJPZ-KRWDZBQOSA-N 1 2 331.435 3.784 20 0 EHADLO COc1ccc(CN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000584617439 1039375854 /nfs/dbraw/zinc/37/58/54/1039375854.db2.gz UIRGXCBBPGTOCL-CVEARBPZSA-N 1 2 341.455 3.670 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000028694880 1039389040 /nfs/dbraw/zinc/38/90/40/1039389040.db2.gz YSGYMRCTTLOLFR-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3c(Cl)cccc3OC)c1)O[C@@H](C)C2 ZINC000480304777 1039413060 /nfs/dbraw/zinc/41/30/60/1039413060.db2.gz KJOPADNIYBZEIH-LBPRGKRZSA-N 1 2 347.842 3.970 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000667658093 1039420146 /nfs/dbraw/zinc/42/01/46/1039420146.db2.gz ZNDLLUXODAUUHG-UHFFFAOYSA-N 1 2 341.352 3.958 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000044138907 1039444029 /nfs/dbraw/zinc/44/40/29/1039444029.db2.gz WZEPVCGGDSNQMI-JTQLQIEISA-N 1 2 342.440 3.573 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542683 1039460654 /nfs/dbraw/zinc/46/06/54/1039460654.db2.gz DIFHKGRIEKEGPK-RDJZCZTQSA-N 1 2 341.459 3.664 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541947 1039462364 /nfs/dbraw/zinc/46/23/64/1039462364.db2.gz SAVZAODQGKYIRY-IRXDYDNUSA-N 1 2 341.459 3.807 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)nn1 ZINC000480356318 1039469387 /nfs/dbraw/zinc/46/93/87/1039469387.db2.gz LZPBQENLXRESNM-UHFFFAOYSA-N 1 2 338.377 3.831 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3c3cncc(C)c3)nn2)cc1 ZINC000906323339 1039473515 /nfs/dbraw/zinc/47/35/15/1039473515.db2.gz RPAADHXADVWRSM-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3c3cncc(C)c3)nn2)cc1 ZINC000906323339 1039473522 /nfs/dbraw/zinc/47/35/22/1039473522.db2.gz RPAADHXADVWRSM-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)n1cc[nH+]c1 ZINC000570283577 1039490967 /nfs/dbraw/zinc/49/09/67/1039490967.db2.gz XNGFGRRGBQHLEP-ZDUSSCGKSA-N 1 2 339.443 3.657 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000432839503 1039526988 /nfs/dbraw/zinc/52/69/88/1039526988.db2.gz MEQDPUZHJUJYDA-JTQLQIEISA-N 1 2 342.365 3.852 20 0 EHADLO COc1ncccc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000489018911 1039559857 /nfs/dbraw/zinc/55/98/57/1039559857.db2.gz HWLUMWLLSJYKJJ-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ncccc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000489018911 1039559875 /nfs/dbraw/zinc/55/98/75/1039559875.db2.gz HWLUMWLLSJYKJJ-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2c[nH]c3cc(F)ccc23)c(C)[nH+]1 ZINC000906467905 1039584459 /nfs/dbraw/zinc/58/44/59/1039584459.db2.gz YRPPJQQLMUXAPY-UHFFFAOYSA-N 1 2 325.387 3.600 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCc4cccc(O)c43)cc2)c1C ZINC000552911928 1039614993 /nfs/dbraw/zinc/61/49/93/1039614993.db2.gz UUXAJHHVMGPROX-GOSISDBHSA-N 1 2 347.418 3.863 20 0 EHADLO c1nnc([C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)C2CCCCC2)[nH]1 ZINC000906526207 1039616119 /nfs/dbraw/zinc/61/61/19/1039616119.db2.gz RXYBINYOTXOQEA-SFHVURJKSA-N 1 2 337.427 3.871 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[C@H]([NH3+])C(F)F)n2)cc1C ZINC000911990458 1039624393 /nfs/dbraw/zinc/62/43/93/1039624393.db2.gz SWJHTMXGISDKRU-LBPRGKRZSA-N 1 2 339.411 3.656 20 0 EHADLO CCCN(CCC)C(=O)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000584731657 1039639750 /nfs/dbraw/zinc/63/97/50/1039639750.db2.gz HADAQGIKRMOALY-UHFFFAOYSA-N 1 2 328.460 3.901 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000480546855 1039686065 /nfs/dbraw/zinc/68/60/65/1039686065.db2.gz CKHIPLXGPJDCBY-BKGUAONASA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000480546855 1039686074 /nfs/dbraw/zinc/68/60/74/1039686074.db2.gz CKHIPLXGPJDCBY-BKGUAONASA-N 1 2 342.405 3.792 20 0 EHADLO CC(C)(CNC(=O)C1CCC(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000898904102 1039690341 /nfs/dbraw/zinc/69/03/41/1039690341.db2.gz RXAGKTLKVQLSSU-UHFFFAOYSA-N 1 2 325.456 3.708 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCC(C)(C)n3cc[nH+]c3)s2)o1 ZINC000898905631 1039692613 /nfs/dbraw/zinc/69/26/13/1039692613.db2.gz CCIBXALSZVMTGL-UHFFFAOYSA-N 1 2 329.425 3.678 20 0 EHADLO COc1cc(F)c([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC000906701398 1039706617 /nfs/dbraw/zinc/70/66/17/1039706617.db2.gz JTKBXDDOMHJRLA-LBPRGKRZSA-N 1 2 346.402 3.654 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cnc(-c2ccco2)s1 ZINC000485952459 1039732910 /nfs/dbraw/zinc/73/29/10/1039732910.db2.gz OGYJKXNVXNXKJD-UHFFFAOYSA-N 1 2 344.827 3.977 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657732 1039766403 /nfs/dbraw/zinc/76/64/03/1039766403.db2.gz OHRHWSUGLWZXPH-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000906803896 1039767223 /nfs/dbraw/zinc/76/72/23/1039767223.db2.gz VNDWVUPKFKZJPL-KDOFPFPSSA-N 1 2 342.414 3.748 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C2CC2)cc1 ZINC000660208836 1039791238 /nfs/dbraw/zinc/79/12/38/1039791238.db2.gz RBJHCXKDCBXQHM-CYBMUJFWSA-N 1 2 343.374 3.806 20 0 EHADLO CC(C)SCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000549471366 1039813684 /nfs/dbraw/zinc/81/36/84/1039813684.db2.gz HTARGHKGMOLSBX-UHFFFAOYSA-N 1 2 330.291 3.785 20 0 EHADLO CC(C)SCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000549471366 1039813706 /nfs/dbraw/zinc/81/37/06/1039813706.db2.gz HTARGHKGMOLSBX-UHFFFAOYSA-N 1 2 330.291 3.785 20 0 EHADLO Cc1noc2ncc(C[N@H+](Cc3ccc(F)cc3F)C3CC3)cc12 ZINC000893928840 1039838556 /nfs/dbraw/zinc/83/85/56/1039838556.db2.gz GFBAWENAZJRXNY-UHFFFAOYSA-N 1 2 329.350 3.974 20 0 EHADLO Cc1noc2ncc(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)cc12 ZINC000893928840 1039838583 /nfs/dbraw/zinc/83/85/83/1039838583.db2.gz GFBAWENAZJRXNY-UHFFFAOYSA-N 1 2 329.350 3.974 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)nc1 ZINC000893963375 1039870649 /nfs/dbraw/zinc/87/06/49/1039870649.db2.gz DFLKPXPXWNKAST-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)nc1 ZINC000893963375 1039870674 /nfs/dbraw/zinc/87/06/74/1039870674.db2.gz DFLKPXPXWNKAST-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO CC(C)c1ccc(CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000489350339 1039878825 /nfs/dbraw/zinc/87/88/25/1039878825.db2.gz FKGBPWYZZFLLMB-UHFFFAOYSA-N 1 2 348.450 3.753 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CC(C)C3)n2)cc1C ZINC000553226792 1039894125 /nfs/dbraw/zinc/89/41/25/1039894125.db2.gz CIIAGMVDSFXJHT-CQSZACIVSA-N 1 2 329.469 3.706 20 0 EHADLO C[C@@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCc2ccccc21 ZINC000553296013 1039941957 /nfs/dbraw/zinc/94/19/57/1039941957.db2.gz DITXPHUATSECGN-OAQYLSRUSA-N 1 2 346.434 3.559 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(-n2cncn2)cc1Cl ZINC000153382557 1039963610 /nfs/dbraw/zinc/96/36/10/1039963610.db2.gz OHQSTTBMQLLJIM-MNOVXSKESA-N 1 2 333.848 3.789 20 0 EHADLO O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162847231 1039969969 /nfs/dbraw/zinc/96/99/69/1039969969.db2.gz FEQYSEKQDLXSGO-UHFFFAOYSA-N 1 2 327.334 3.926 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479105627 1039972280 /nfs/dbraw/zinc/97/22/80/1039972280.db2.gz NTDZXERJXUWJFH-CJNGLKHVSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479105627 1039972292 /nfs/dbraw/zinc/97/22/92/1039972292.db2.gz NTDZXERJXUWJFH-CJNGLKHVSA-N 1 2 330.378 3.609 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162438721 1040004878 /nfs/dbraw/zinc/00/48/78/1040004878.db2.gz ZFKHXAXGFWLRCL-AWEZNQCLSA-N 1 2 330.457 3.887 20 0 EHADLO c1[nH]c(C[NH2+]Cc2cccc3c2OCCCO3)nc1-c1ccccc1 ZINC000584832956 1040036236 /nfs/dbraw/zinc/03/62/36/1040036236.db2.gz GSDIWRHUJNKNPU-UHFFFAOYSA-N 1 2 335.407 3.528 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000894080848 1040061740 /nfs/dbraw/zinc/06/17/40/1040061740.db2.gz ZKDQWXOYHAFIQQ-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)on1 ZINC000924847522 1040080994 /nfs/dbraw/zinc/08/09/94/1040080994.db2.gz GKYYUTCSCHJBNL-NWDGAFQWSA-N 1 2 344.390 3.728 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(C)o1 ZINC000660252937 1040095390 /nfs/dbraw/zinc/09/53/90/1040095390.db2.gz ZSINCXBIHYZQKW-CYBMUJFWSA-N 1 2 329.318 3.806 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000332786889 1040110345 /nfs/dbraw/zinc/11/03/45/1040110345.db2.gz VFFUSKBLGFVMQQ-BRWVUGGUSA-N 1 2 330.476 3.589 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CNc1cccc[nH+]1 ZINC000907778248 1040168287 /nfs/dbraw/zinc/16/82/87/1040168287.db2.gz JPJAKOHZSINTAJ-AWEZNQCLSA-N 1 2 337.345 3.612 20 0 EHADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810144 1040177465 /nfs/dbraw/zinc/17/74/65/1040177465.db2.gz NZUAJSBOYHSSSS-GJZGRUSLSA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810144 1040177476 /nfs/dbraw/zinc/17/74/76/1040177476.db2.gz NZUAJSBOYHSSSS-GJZGRUSLSA-N 1 2 329.488 3.867 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000667482488 1040209453 /nfs/dbraw/zinc/20/94/53/1040209453.db2.gz FIYDDTQSJSXEPT-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000667482488 1040209468 /nfs/dbraw/zinc/20/94/68/1040209468.db2.gz FIYDDTQSJSXEPT-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(-c3cccnc3)ccc2C)c[nH+]1 ZINC000907893251 1040219110 /nfs/dbraw/zinc/21/91/10/1040219110.db2.gz XBBLVJNHUFZXMZ-UHFFFAOYSA-N 1 2 334.423 3.936 20 0 EHADLO CC(C)(C)c1ccnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000555156964 1040240247 /nfs/dbraw/zinc/24/02/47/1040240247.db2.gz IOVUJZPQSZVYEJ-UHFFFAOYSA-N 1 2 325.391 3.711 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2COC(C)(C)C2)c1 ZINC000417837054 1040258045 /nfs/dbraw/zinc/25/80/45/1040258045.db2.gz PIQZMGBZMKBMEF-MRXNPFEDSA-N 1 2 331.485 3.755 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2COC(C)(C)C2)c1 ZINC000417837054 1040258064 /nfs/dbraw/zinc/25/80/64/1040258064.db2.gz PIQZMGBZMKBMEF-MRXNPFEDSA-N 1 2 331.485 3.755 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668641581 1040265619 /nfs/dbraw/zinc/26/56/19/1040265619.db2.gz LEZSHWWSVGAAJU-KURKYZTESA-N 1 2 325.456 3.736 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccnc2s1)c1nc(C(F)(F)F)cs1 ZINC000894100951 1040316911 /nfs/dbraw/zinc/31/69/11/1040316911.db2.gz MEZJXAHRUKXWBV-ZETCQYMHSA-N 1 2 332.376 3.722 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccsc1 ZINC000152914530 1040327508 /nfs/dbraw/zinc/32/75/08/1040327508.db2.gz VVYCRRPGJLAPJK-ZDUSSCGKSA-N 1 2 325.437 3.755 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccsc1 ZINC000152914530 1040327527 /nfs/dbraw/zinc/32/75/27/1040327527.db2.gz VVYCRRPGJLAPJK-ZDUSSCGKSA-N 1 2 325.437 3.755 20 0 EHADLO CCc1cccc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000295402577 1040347430 /nfs/dbraw/zinc/34/74/30/1040347430.db2.gz RZUWVSIKVQBVAS-UHFFFAOYSA-N 1 2 341.430 3.543 20 0 EHADLO COc1cc(F)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000668672704 1040377359 /nfs/dbraw/zinc/37/73/59/1040377359.db2.gz XEPIXGCPTDVJMD-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1cc(F)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000668672704 1040377373 /nfs/dbraw/zinc/37/73/73/1040377373.db2.gz XEPIXGCPTDVJMD-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000511649549 1040394651 /nfs/dbraw/zinc/39/46/51/1040394651.db2.gz SPZRMMXQLPHKMY-PZJWPPBQSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000511649549 1040394661 /nfs/dbraw/zinc/39/46/61/1040394661.db2.gz SPZRMMXQLPHKMY-PZJWPPBQSA-N 1 2 339.435 3.859 20 0 EHADLO CCn1c[nH+]cc1CN1CCc2c(Br)cc(C)cc2C1 ZINC000417984231 1040412127 /nfs/dbraw/zinc/41/21/27/1040412127.db2.gz CYHUPGRQHIOHNZ-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000473466224 1040437934 /nfs/dbraw/zinc/43/79/34/1040437934.db2.gz YWSLWSMMFIEODN-IXDOHACOSA-N 1 2 340.471 3.507 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000908455327 1040474108 /nfs/dbraw/zinc/47/41/08/1040474108.db2.gz SQVONDBWUDUSPP-UHFFFAOYSA-N 1 2 347.724 3.543 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000481237874 1040540325 /nfs/dbraw/zinc/54/03/25/1040540325.db2.gz NNDNFVMFGTYBRX-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000481237874 1040540337 /nfs/dbraw/zinc/54/03/37/1040540337.db2.gz NNDNFVMFGTYBRX-ZDUSSCGKSA-N 1 2 336.391 3.734 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000433046248 1040555975 /nfs/dbraw/zinc/55/59/75/1040555975.db2.gz TZMCLDIBTBJVLP-JSGCOSHPSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000433046248 1040556001 /nfs/dbraw/zinc/55/60/01/1040556001.db2.gz TZMCLDIBTBJVLP-JSGCOSHPSA-N 1 2 329.893 3.754 20 0 EHADLO Cc1nnsc1[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000931059146 1040566750 /nfs/dbraw/zinc/56/67/50/1040566750.db2.gz LQHMLJQVLLIIQN-CPCISQLKSA-N 1 2 332.256 3.538 20 0 EHADLO O=C(Cc1cccc(C2CC2)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000411205348 1040576799 /nfs/dbraw/zinc/57/67/99/1040576799.db2.gz GCONNEJICLOKDM-UHFFFAOYSA-N 1 2 345.446 3.668 20 0 EHADLO O=C(Nc1ccc2c(c1)C=CCCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000667857893 1040601982 /nfs/dbraw/zinc/60/19/82/1040601982.db2.gz YWTDCFMMVRXMNC-LJQANCHMSA-N 1 2 348.450 3.832 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000364272883 1040646665 /nfs/dbraw/zinc/64/66/65/1040646665.db2.gz SMYFWQHTVQIYRQ-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO S=c1n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc(C2CC2)n1Cc1ccco1 ZINC000151226487 1040684024 /nfs/dbraw/zinc/68/40/24/1040684024.db2.gz PNVSMYSOKDZRSN-GASCZTMLSA-N 1 2 344.484 3.622 20 0 EHADLO S=c1n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc(C2CC2)n1Cc1ccco1 ZINC000151226487 1040684027 /nfs/dbraw/zinc/68/40/27/1040684027.db2.gz PNVSMYSOKDZRSN-GASCZTMLSA-N 1 2 344.484 3.622 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000600132393 1040701435 /nfs/dbraw/zinc/70/14/35/1040701435.db2.gz QRXZXJZUDNFKTL-WBVHZDCISA-N 1 2 329.469 3.618 20 0 EHADLO COc1ccc(C[C@H]2CC[N@@H+]2Cc2ncc(CSC)s2)cc1 ZINC001204640467 1040732719 /nfs/dbraw/zinc/73/27/19/1040732719.db2.gz LJUNOETXNUNRDW-CQSZACIVSA-N 1 2 334.510 3.832 20 0 EHADLO COc1ccc(C[C@H]2CC[N@H+]2Cc2ncc(CSC)s2)cc1 ZINC001204640467 1040732734 /nfs/dbraw/zinc/73/27/34/1040732734.db2.gz LJUNOETXNUNRDW-CQSZACIVSA-N 1 2 334.510 3.832 20 0 EHADLO CCC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1F ZINC000614224353 1040748619 /nfs/dbraw/zinc/74/86/19/1040748619.db2.gz AGDOALABPKMHNF-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO CCC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1F ZINC000614224353 1040748637 /nfs/dbraw/zinc/74/86/37/1040748637.db2.gz AGDOALABPKMHNF-UHFFFAOYSA-N 1 2 328.431 3.663 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000150731535 1040766084 /nfs/dbraw/zinc/76/60/84/1040766084.db2.gz FVGIRBJRJXQPAR-QGZVFWFLSA-N 1 2 337.467 3.800 20 0 EHADLO CCc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000490857651 1040794561 /nfs/dbraw/zinc/79/45/61/1040794561.db2.gz UWQSJPVVANZONL-UHFFFAOYSA-N 1 2 328.803 3.872 20 0 EHADLO COCc1cnc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000668758065 1040797699 /nfs/dbraw/zinc/79/76/99/1040797699.db2.gz LFTJMJQDUUWCPR-UHFFFAOYSA-N 1 2 342.464 3.730 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000109386933 1040803672 /nfs/dbraw/zinc/80/36/72/1040803672.db2.gz PTEJBOYCULTOIS-UHFFFAOYSA-N 1 2 341.459 3.550 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000487221697 1040828312 /nfs/dbraw/zinc/82/83/12/1040828312.db2.gz PMMLQYXMHSDJMK-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000668765458 1040832728 /nfs/dbraw/zinc/83/27/28/1040832728.db2.gz FFHYGVMPLRJGRA-QGZVFWFLSA-N 1 2 336.357 3.902 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000668765458 1040832744 /nfs/dbraw/zinc/83/27/44/1040832744.db2.gz FFHYGVMPLRJGRA-QGZVFWFLSA-N 1 2 336.357 3.902 20 0 EHADLO FC(F)(F)C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000668765457 1040833155 /nfs/dbraw/zinc/83/31/55/1040833155.db2.gz FFHYGVMPLRJGRA-KRWDZBQOSA-N 1 2 336.357 3.902 20 0 EHADLO FC(F)(F)C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000668765457 1040833168 /nfs/dbraw/zinc/83/31/68/1040833168.db2.gz FFHYGVMPLRJGRA-KRWDZBQOSA-N 1 2 336.357 3.902 20 0 EHADLO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCCn1cc[nH+]c1 ZINC000067182122 1040918657 /nfs/dbraw/zinc/91/86/57/1040918657.db2.gz FKAUYMWIIBLUCS-SOFGYWHQSA-N 1 2 341.411 3.580 20 0 EHADLO CO[C@H](C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C)C1CCCCC1 ZINC000614282732 1040918791 /nfs/dbraw/zinc/91/87/91/1040918791.db2.gz WDOJCOJMTUKQQB-KRWDZBQOSA-N 1 2 327.428 3.919 20 0 EHADLO Cn1cnc(C[NH+]2CCC(c3ccccc3Br)CC2)c1 ZINC000660378072 1040920440 /nfs/dbraw/zinc/92/04/40/1040920440.db2.gz OTHRBWZGJYEFOU-UHFFFAOYSA-N 1 2 334.261 3.562 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000487326087 1040932569 /nfs/dbraw/zinc/93/25/69/1040932569.db2.gz XTDGUXVMEUAIKU-UHFFFAOYSA-N 1 2 329.831 3.985 20 0 EHADLO Cc1cc(N(C)C2CCN(CC(F)(F)F)CC2)nc(C2CCC2)[nH+]1 ZINC000894125191 1040980124 /nfs/dbraw/zinc/98/01/24/1040980124.db2.gz RMKZWPVRMSJJOI-UHFFFAOYSA-N 1 2 342.409 3.515 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000512804200 1040990753 /nfs/dbraw/zinc/99/07/53/1040990753.db2.gz KCJFZIWBKZIONW-QAQDUYKDSA-N 1 2 325.456 3.951 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3csc4ccccc34)[nH+]c12 ZINC000586752275 1040997420 /nfs/dbraw/zinc/99/74/20/1040997420.db2.gz VFDIFEVBJVYYIQ-UHFFFAOYSA-N 1 2 349.459 3.759 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1CF ZINC000555696897 1041020420 /nfs/dbraw/zinc/02/04/20/1041020420.db2.gz MULWBAAYAYKOLX-LPHOPBHVSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]1CF ZINC000555696897 1041020434 /nfs/dbraw/zinc/02/04/34/1041020434.db2.gz MULWBAAYAYKOLX-LPHOPBHVSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000668788902 1041036930 /nfs/dbraw/zinc/03/69/30/1041036930.db2.gz MLMVBFKSPCGCFT-MEDUHNTESA-N 1 2 338.220 3.800 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000481563641 1041058380 /nfs/dbraw/zinc/05/83/80/1041058380.db2.gz DAUDRAVXEBIVRK-ACBHZAAOSA-N 1 2 347.499 3.653 20 0 EHADLO S=C(NCCn1cc[nH+]c1)Nc1ccccc1Oc1ccccc1 ZINC000054924268 1041068342 /nfs/dbraw/zinc/06/83/42/1041068342.db2.gz QVAZRBHHRVAYEK-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO CC(=O)Nc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)cn1 ZINC000433206921 1041095699 /nfs/dbraw/zinc/09/56/99/1041095699.db2.gz JBTAUHINCMZOFT-UHFFFAOYSA-N 1 2 344.465 3.515 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193612590 1041096428 /nfs/dbraw/zinc/09/64/28/1041096428.db2.gz HYUCQBSQBMQASN-UHFFFAOYSA-N 1 2 335.747 3.788 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193612590 1041096446 /nfs/dbraw/zinc/09/64/46/1041096446.db2.gz HYUCQBSQBMQASN-UHFFFAOYSA-N 1 2 335.747 3.788 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000660391302 1041099563 /nfs/dbraw/zinc/09/95/63/1041099563.db2.gz GKHUUTPRRSAXRV-UHFFFAOYSA-N 1 2 328.334 3.821 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000660391302 1041099577 /nfs/dbraw/zinc/09/95/77/1041099577.db2.gz GKHUUTPRRSAXRV-UHFFFAOYSA-N 1 2 328.334 3.821 20 0 EHADLO CCc1ccccc1NC(=O)C[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068984 1041104231 /nfs/dbraw/zinc/10/42/31/1041104231.db2.gz WEDBLHNBMMRWAS-CQSZACIVSA-N 1 2 327.428 3.620 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(Cl)s1 ZINC000487794519 1041121584 /nfs/dbraw/zinc/12/15/84/1041121584.db2.gz QDZFUDIZWBWLOO-FRRDWIJNSA-N 1 2 349.887 3.746 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396544 1041130263 /nfs/dbraw/zinc/13/02/63/1041130263.db2.gz GTFYXGSVHUXEEF-YJBOKZPZSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)cc(F)c1F ZINC001143611079 1041141347 /nfs/dbraw/zinc/14/13/47/1041141347.db2.gz ORPZGGNYGXNPFU-KRWDZBQOSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)cc(F)c1F ZINC001143611079 1041141354 /nfs/dbraw/zinc/14/13/54/1041141354.db2.gz ORPZGGNYGXNPFU-KRWDZBQOSA-N 1 2 330.378 3.876 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759849120 1041145556 /nfs/dbraw/zinc/14/55/56/1041145556.db2.gz JBDCQVMODFAGOR-HNNXBMFYSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759849120 1041145563 /nfs/dbraw/zinc/14/55/63/1041145563.db2.gz JBDCQVMODFAGOR-HNNXBMFYSA-N 1 2 345.842 3.565 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)nc1 ZINC000569917732 1041167097 /nfs/dbraw/zinc/16/70/97/1041167097.db2.gz XAPSIGCXWCISIT-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)nc1 ZINC000569917732 1041167105 /nfs/dbraw/zinc/16/71/05/1041167105.db2.gz XAPSIGCXWCISIT-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000571056880 1041169539 /nfs/dbraw/zinc/16/95/39/1041169539.db2.gz GCOXFTMYBIZFES-AYBZRNKSSA-N 1 2 325.456 3.506 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000571056880 1041169548 /nfs/dbraw/zinc/16/95/48/1041169548.db2.gz GCOXFTMYBIZFES-AYBZRNKSSA-N 1 2 325.456 3.506 20 0 EHADLO Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000571134404 1041199273 /nfs/dbraw/zinc/19/92/73/1041199273.db2.gz RCXYMEHNIATLQH-MRXNPFEDSA-N 1 2 335.407 3.970 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2cncc(Br)c2)cs1 ZINC000571225793 1041238440 /nfs/dbraw/zinc/23/84/40/1041238440.db2.gz BITFECVNGIOOJI-SECBINFHSA-N 1 2 326.263 3.714 20 0 EHADLO CCCCCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000433322662 1041281142 /nfs/dbraw/zinc/28/11/42/1041281142.db2.gz YMGQEYNTGPIKEO-UHFFFAOYSA-N 1 2 327.472 3.901 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1OCc1cccnc1 ZINC000652078358 1041281348 /nfs/dbraw/zinc/28/13/48/1041281348.db2.gz FGPDPNIFGWVVSS-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1OCc1cccnc1 ZINC000652078358 1041281363 /nfs/dbraw/zinc/28/13/63/1041281363.db2.gz FGPDPNIFGWVVSS-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c(C)o1 ZINC000660428420 1041286411 /nfs/dbraw/zinc/28/64/11/1041286411.db2.gz CDKJJKCKKQGOAW-CQSZACIVSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c(C)o1 ZINC000660428420 1041286417 /nfs/dbraw/zinc/28/64/17/1041286417.db2.gz CDKJJKCKKQGOAW-CQSZACIVSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C(C)C)n1 ZINC000448680124 1041307514 /nfs/dbraw/zinc/30/75/14/1041307514.db2.gz INWHITNJNBLVBR-UHFFFAOYSA-N 1 2 348.450 3.688 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@H](C4OCCO4)C3)cc[nH+]c12 ZINC000194710814 1041315113 /nfs/dbraw/zinc/31/51/13/1041315113.db2.gz QJKWSGGSEQECJL-HNNXBMFYSA-N 1 2 342.439 3.613 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000660437630 1041362057 /nfs/dbraw/zinc/36/20/57/1041362057.db2.gz MCGCKLJUTVTNFY-KRWDZBQOSA-N 1 2 342.443 3.583 20 0 EHADLO CC(C)C1CCC(N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000433410133 1041395946 /nfs/dbraw/zinc/39/59/46/1041395946.db2.gz AFCMBRBLEZMNGL-LXPRWKDFSA-N 1 2 344.503 3.517 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[nH]1 ZINC000431996833 1041453464 /nfs/dbraw/zinc/45/34/64/1041453464.db2.gz BNHSZYLGDMAQIG-UHFFFAOYSA-N 1 2 348.406 3.669 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000432086788 1041569628 /nfs/dbraw/zinc/56/96/28/1041569628.db2.gz APSAZSWAMZUOOK-IXDOHACOSA-N 1 2 345.487 3.638 20 0 EHADLO Cc1nc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(C)o1 ZINC000660494457 1041570741 /nfs/dbraw/zinc/57/07/41/1041570741.db2.gz DDZMXAYAWJIDCU-OAHLLOKOSA-N 1 2 336.233 3.690 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]C2(c3ccc(Br)cc3)CC2)n1 ZINC000925703430 1041581591 /nfs/dbraw/zinc/58/15/91/1041581591.db2.gz UQPCGXOVBCMABC-NSHDSACASA-N 1 2 349.276 3.709 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000047265469 1041600180 /nfs/dbraw/zinc/60/01/80/1041600180.db2.gz YVJGAPSPQJXAMB-GFCCVEGCSA-N 1 2 330.432 3.876 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000047265469 1041600184 /nfs/dbraw/zinc/60/01/84/1041600184.db2.gz YVJGAPSPQJXAMB-GFCCVEGCSA-N 1 2 330.432 3.876 20 0 EHADLO Cc1ccc(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)s1 ZINC000545577029 1041612286 /nfs/dbraw/zinc/61/22/86/1041612286.db2.gz UBTYSUDGONZSBN-UHFFFAOYSA-N 1 2 336.420 3.942 20 0 EHADLO Cc1nc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C)o1 ZINC000660533369 1041635921 /nfs/dbraw/zinc/63/59/21/1041635921.db2.gz JVMGNSOYSZJYFE-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1nc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C)o1 ZINC000660533369 1041635925 /nfs/dbraw/zinc/63/59/25/1041635925.db2.gz JVMGNSOYSZJYFE-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO CC1(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CCCCC1 ZINC000647692152 1041665311 /nfs/dbraw/zinc/66/53/11/1041665311.db2.gz KALLSZDCFKYBSZ-UHFFFAOYSA-N 1 2 349.544 3.968 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(F)c2OC(F)F)[C@H]1[C@@H]1CCCO1 ZINC000660564380 1041675029 /nfs/dbraw/zinc/67/50/29/1041675029.db2.gz UNQQKSGGUVBHKN-ZFWWWQNUSA-N 1 2 329.362 3.817 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(F)c2OC(F)F)[C@H]1[C@@H]1CCCO1 ZINC000660564380 1041675031 /nfs/dbraw/zinc/67/50/31/1041675031.db2.gz UNQQKSGGUVBHKN-ZFWWWQNUSA-N 1 2 329.362 3.817 20 0 EHADLO CO[C@H](C[NH2+]C1(c2noc(C(F)F)n2)CCC1)C1CCCCC1 ZINC000660609362 1041715214 /nfs/dbraw/zinc/71/52/14/1041715214.db2.gz DJVZYDZHZZHKFI-GFCCVEGCSA-N 1 2 329.391 3.571 20 0 EHADLO CSc1cccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000660626603 1041731383 /nfs/dbraw/zinc/73/13/83/1041731383.db2.gz YREDVQDQLJCQER-SNVBAGLBSA-N 1 2 338.274 3.812 20 0 EHADLO CC(C)(C)c1csc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)n1 ZINC000660640547 1041745097 /nfs/dbraw/zinc/74/50/97/1041745097.db2.gz UKEDEQGCQXFSEZ-MRXNPFEDSA-N 1 2 333.501 3.685 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2nsc3ccccc32)C[C@H]1c1ccccc1 ZINC000660670652 1041764705 /nfs/dbraw/zinc/76/47/05/1041764705.db2.gz IMJMRUPQIAGGIZ-QFBILLFUSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2nsc3ccccc32)C[C@H]1c1ccccc1 ZINC000660670652 1041764711 /nfs/dbraw/zinc/76/47/11/1041764711.db2.gz IMJMRUPQIAGGIZ-QFBILLFUSA-N 1 2 342.439 3.596 20 0 EHADLO COc1ccc([C@@H](C)C[N@H+](C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763898 1041811052 /nfs/dbraw/zinc/81/10/52/1041811052.db2.gz GZZPKVBDIASOLN-HNAYVOBHSA-N 1 2 336.439 3.638 20 0 EHADLO COc1ccc([C@@H](C)C[N@@H+](C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763898 1041811056 /nfs/dbraw/zinc/81/10/56/1041811056.db2.gz GZZPKVBDIASOLN-HNAYVOBHSA-N 1 2 336.439 3.638 20 0 EHADLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)[nH]1 ZINC000660809358 1041829258 /nfs/dbraw/zinc/82/92/58/1041829258.db2.gz VIPDRBXXBQXVJK-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)[nH]1 ZINC000660809358 1041829265 /nfs/dbraw/zinc/82/92/65/1041829265.db2.gz VIPDRBXXBQXVJK-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)n1 ZINC000660809358 1041829278 /nfs/dbraw/zinc/82/92/78/1041829278.db2.gz VIPDRBXXBQXVJK-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3cc4cnccc4o3)CCO2)ccc1F ZINC000651644511 1041836342 /nfs/dbraw/zinc/83/63/42/1041836342.db2.gz TZYVHUMYPZDBRP-LJQANCHMSA-N 1 2 326.371 3.849 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3cc4cnccc4o3)CCO2)ccc1F ZINC000651644511 1041836345 /nfs/dbraw/zinc/83/63/45/1041836345.db2.gz TZYVHUMYPZDBRP-LJQANCHMSA-N 1 2 326.371 3.849 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000651648989 1041845170 /nfs/dbraw/zinc/84/51/70/1041845170.db2.gz NSUOEOPSFPORTP-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000651648989 1041845178 /nfs/dbraw/zinc/84/51/78/1041845178.db2.gz NSUOEOPSFPORTP-FQEVSTJZSA-N 1 2 337.423 3.656 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3c(s2)CCC3)cc1OC ZINC000093075336 1041846845 /nfs/dbraw/zinc/84/68/45/1041846845.db2.gz JGRLPCBUKMXOLN-JTQLQIEISA-N 1 2 336.432 3.639 20 0 EHADLO CSCC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1nnc2ccccn21 ZINC000164310574 1041971592 /nfs/dbraw/zinc/97/15/92/1041971592.db2.gz WGOCKYGJVIISDS-KGLIPLIRSA-N 1 2 330.457 3.776 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000661160735 1041975707 /nfs/dbraw/zinc/97/57/07/1041975707.db2.gz CAXGXMBZJQUAHO-UHFFFAOYSA-N 1 2 347.480 3.631 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000651781470 1042025170 /nfs/dbraw/zinc/02/51/70/1042025170.db2.gz LDPJRCRNQHEMBD-LJQANCHMSA-N 1 2 337.467 3.689 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)Nc1cccc2[nH+]ccn21 ZINC001126098617 1042167750 /nfs/dbraw/zinc/16/77/50/1042167750.db2.gz YMJKOEYSSGRMDO-UHFFFAOYSA-N 1 2 325.755 3.915 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)n1 ZINC000661540769 1042176443 /nfs/dbraw/zinc/17/64/43/1042176443.db2.gz NETZOMGFGPIOFK-AWEZNQCLSA-N 1 2 336.361 3.578 20 0 EHADLO Cc1cccc(CC[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)n1 ZINC000661540769 1042176454 /nfs/dbraw/zinc/17/64/54/1042176454.db2.gz NETZOMGFGPIOFK-AWEZNQCLSA-N 1 2 336.361 3.578 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661559600 1042188702 /nfs/dbraw/zinc/18/87/02/1042188702.db2.gz PHQLGGZQLMWRLX-CVEARBPZSA-N 1 2 346.519 3.933 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3cnn(-c4ccccc4)c3)CC23CCOCC3)c1 ZINC000661561433 1042189163 /nfs/dbraw/zinc/18/91/63/1042189163.db2.gz LOARXQXFBQTKHY-FQEVSTJZSA-N 1 2 349.434 3.819 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3cnn(-c4ccccc4)c3)CC23CCOCC3)c1 ZINC000661561433 1042189168 /nfs/dbraw/zinc/18/91/68/1042189168.db2.gz LOARXQXFBQTKHY-FQEVSTJZSA-N 1 2 349.434 3.819 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2)cc1F ZINC000661662517 1042240547 /nfs/dbraw/zinc/24/05/47/1042240547.db2.gz YPDCFRKAEIFSGT-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2)cc1F ZINC000661662517 1042240552 /nfs/dbraw/zinc/24/05/52/1042240552.db2.gz YPDCFRKAEIFSGT-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@@H](CCF)C2)nc2c3ccccc3oc21 ZINC000661691409 1042255365 /nfs/dbraw/zinc/25/53/65/1042255365.db2.gz DJUUURQOGYOCGU-LBPRGKRZSA-N 1 2 329.375 3.653 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@@H](CCF)C2)nc2c3ccccc3oc21 ZINC000661691409 1042255373 /nfs/dbraw/zinc/25/53/73/1042255373.db2.gz DJUUURQOGYOCGU-LBPRGKRZSA-N 1 2 329.375 3.653 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661867929 1042376455 /nfs/dbraw/zinc/37/64/55/1042376455.db2.gz OQZMNTXRWCEWAH-YJBOKZPZSA-N 1 2 347.507 3.520 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000626235095 1042394195 /nfs/dbraw/zinc/39/41/95/1042394195.db2.gz YZJFOXOYRLTJAD-RBUKOAKNSA-N 1 2 343.471 3.563 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C)OC[C@@H]3C)c2cc1C(C)C ZINC000027642396 1042437417 /nfs/dbraw/zinc/43/74/17/1042437417.db2.gz RHZRMDYURHFUNF-LSDHHAIUSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C)OC[C@@H]3C)c2cc1C(C)C ZINC000027642396 1042437419 /nfs/dbraw/zinc/43/74/19/1042437419.db2.gz RHZRMDYURHFUNF-LSDHHAIUSA-N 1 2 329.440 3.834 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000661988631 1042445438 /nfs/dbraw/zinc/44/54/38/1042445438.db2.gz FXQWQXBDMOWSIK-SFHVURJKSA-N 1 2 344.503 3.543 20 0 EHADLO Fc1ccc(-c2cnc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000661996639 1042451702 /nfs/dbraw/zinc/45/17/02/1042451702.db2.gz BPGAABLEIZCROG-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1ccc(-c2cnc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000661996639 1042451706 /nfs/dbraw/zinc/45/17/06/1042451706.db2.gz BPGAABLEIZCROG-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1Br ZINC000662047431 1042483890 /nfs/dbraw/zinc/48/38/90/1042483890.db2.gz IFCRLIAINXCWKS-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO Cc1sc(Cn2cc[nH+]c2)nc1-c1ccc(NC(=O)C(C)C)cc1 ZINC000663218906 1042565650 /nfs/dbraw/zinc/56/56/50/1042565650.db2.gz FFZJBOUMOPUAIE-UHFFFAOYSA-N 1 2 340.452 3.958 20 0 EHADLO CCC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1F ZINC000644832416 1042631401 /nfs/dbraw/zinc/63/14/01/1042631401.db2.gz PHYPUMLROXKZLD-UHFFFAOYSA-N 1 2 338.430 3.878 20 0 EHADLO CCC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1F ZINC000644832416 1042631404 /nfs/dbraw/zinc/63/14/04/1042631404.db2.gz PHYPUMLROXKZLD-UHFFFAOYSA-N 1 2 338.430 3.878 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000161815306 1042688179 /nfs/dbraw/zinc/68/81/79/1042688179.db2.gz DJYXGYNFWYYFJB-UHFFFAOYSA-N 1 2 333.391 3.987 20 0 EHADLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000662382790 1042698211 /nfs/dbraw/zinc/69/82/11/1042698211.db2.gz QOVIOHADKDCNSN-UHFFFAOYSA-N 1 2 349.406 3.511 20 0 EHADLO CC12CC(C1)C[N@H+]2CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000662382790 1042698214 /nfs/dbraw/zinc/69/82/14/1042698214.db2.gz QOVIOHADKDCNSN-UHFFFAOYSA-N 1 2 349.406 3.511 20 0 EHADLO COc1cc(CNc2ccc([NH+](C)C)cc2C)cc(OC)c1OC ZINC000121425966 1042772122 /nfs/dbraw/zinc/77/21/22/1042772122.db2.gz JTDNIQFDAQSICD-UHFFFAOYSA-N 1 2 330.428 3.699 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NCCCNc1cccc[nH+]1 ZINC000663392928 1042807887 /nfs/dbraw/zinc/80/78/87/1042807887.db2.gz XHEABEQSRFGFQI-UHFFFAOYSA-N 1 2 338.333 3.612 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)c1 ZINC000604328388 1042908359 /nfs/dbraw/zinc/90/83/59/1042908359.db2.gz MXFJMIDKFISKFB-HZPDHXFCSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000660539878 1042940012 /nfs/dbraw/zinc/94/00/12/1042940012.db2.gz PDUBTSZZSATQPU-AWEZNQCLSA-N 1 2 329.227 3.812 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278922278 1042955085 /nfs/dbraw/zinc/95/50/85/1042955085.db2.gz LRESXXPRGRAZRR-MNOVXSKESA-N 1 2 349.422 3.604 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3nccc4sccc43)CC2)c(C)s1 ZINC000343960805 1042956645 /nfs/dbraw/zinc/95/66/45/1042956645.db2.gz IRUKOLKSEHWAPO-UHFFFAOYSA-N 1 2 344.509 3.692 20 0 EHADLO C/C(=C/c1ccccc1)CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000500447645 1042962242 /nfs/dbraw/zinc/96/22/42/1042962242.db2.gz RPQAYKLRWDGTEL-VKAVYKQESA-N 1 2 337.467 3.806 20 0 EHADLO CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CCCCC1 ZINC000663524605 1042975548 /nfs/dbraw/zinc/97/55/48/1042975548.db2.gz ZEJCUXYLKVQBCE-MRXNPFEDSA-N 1 2 332.492 3.599 20 0 EHADLO CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CCCCC1 ZINC000663524605 1042975549 /nfs/dbraw/zinc/97/55/49/1042975549.db2.gz ZEJCUXYLKVQBCE-MRXNPFEDSA-N 1 2 332.492 3.599 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1F ZINC001625916460 1043008741 /nfs/dbraw/zinc/00/87/41/1043008741.db2.gz BPMTYJBUWCJMSO-OKILXGFUSA-N 1 2 343.402 3.839 20 0 EHADLO O=C(C[NH2+]Cc1csc(Cl)c1Cl)Nc1ccc(F)cc1 ZINC000432234793 1043017638 /nfs/dbraw/zinc/01/76/38/1043017638.db2.gz FNIZGZYHZSUIAB-UHFFFAOYSA-N 1 2 333.215 3.922 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cccc(OC)c1OC(F)F)CC2 ZINC000512046592 1043038908 /nfs/dbraw/zinc/03/89/08/1043038908.db2.gz VEEPYWPCWNNBMU-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cccc(OC)c1OC(F)F)CC2 ZINC000512046592 1043038912 /nfs/dbraw/zinc/03/89/12/1043038912.db2.gz VEEPYWPCWNNBMU-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759967863 1043061753 /nfs/dbraw/zinc/06/17/53/1043061753.db2.gz DHDCFOPMAOMGLF-NSHDSACASA-N 1 2 339.336 3.521 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)[S@@]1=O ZINC000348553505 1043102889 /nfs/dbraw/zinc/10/28/89/1043102889.db2.gz XGICKXLMMKBFNS-HBAYXTBCSA-N 1 2 335.513 3.522 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)[S@@]1=O ZINC000348553505 1043102894 /nfs/dbraw/zinc/10/28/94/1043102894.db2.gz XGICKXLMMKBFNS-HBAYXTBCSA-N 1 2 335.513 3.522 20 0 EHADLO COc1cc(C)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000344077413 1043214464 /nfs/dbraw/zinc/21/44/64/1043214464.db2.gz PAMDLBZZWFUUTE-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)s1 ZINC000344120964 1043291541 /nfs/dbraw/zinc/29/15/41/1043291541.db2.gz RYDTVCKREFVUKN-UHFFFAOYSA-N 1 2 347.484 3.509 20 0 EHADLO Cc1ccc(Oc2ccccc2)c(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000124058071 1043352685 /nfs/dbraw/zinc/35/26/85/1043352685.db2.gz VVOLIEQIBXLNLZ-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000344187013 1043389547 /nfs/dbraw/zinc/38/95/47/1043389547.db2.gz ZMBRIFROXYSQKT-JXFKEZNVSA-N 1 2 348.450 3.884 20 0 EHADLO CCc1nnc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135970 1043415621 /nfs/dbraw/zinc/41/56/21/1043415621.db2.gz NHHXFAPOLYFLQJ-PBHICJAKSA-N 1 2 329.444 3.890 20 0 EHADLO CCc1nnc([C@@H]2C[N@H+]([C@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135970 1043415627 /nfs/dbraw/zinc/41/56/27/1043415627.db2.gz NHHXFAPOLYFLQJ-PBHICJAKSA-N 1 2 329.444 3.890 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000279161131 1043465586 /nfs/dbraw/zinc/46/55/86/1043465586.db2.gz IEYWIYUELQEOKW-HXUWFJFHSA-N 1 2 345.446 3.711 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000344228483 1043481582 /nfs/dbraw/zinc/48/15/82/1043481582.db2.gz IGTVLBFGWNUQPD-SFHVURJKSA-N 1 2 333.453 3.599 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000344228483 1043481589 /nfs/dbraw/zinc/48/15/89/1043481589.db2.gz IGTVLBFGWNUQPD-SFHVURJKSA-N 1 2 333.453 3.599 20 0 EHADLO COC[C@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccc(C)o1 ZINC000663680789 1043544164 /nfs/dbraw/zinc/54/41/64/1043544164.db2.gz ARWDHOGSENRRBG-NSHDSACASA-N 1 2 340.221 3.557 20 0 EHADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)c(O[C@H](C)CC(C)C)c1 ZINC000344325112 1043667725 /nfs/dbraw/zinc/66/77/25/1043667725.db2.gz NVTNQADEZZSTKT-QGZVFWFLSA-N 1 2 343.471 3.711 20 0 EHADLO C[C@H]1CCN(c2nc3ccccc3n3cccc23)C[C@H]1n1cc[nH+]c1 ZINC000663714693 1043785997 /nfs/dbraw/zinc/78/59/97/1043785997.db2.gz YIPPABDIBYJXGJ-HNAYVOBHSA-N 1 2 331.423 3.772 20 0 EHADLO COc1ccc2ccc(NC3CCN(c4nccs4)CC3)[nH+]c2c1 ZINC000893677534 1043816561 /nfs/dbraw/zinc/81/65/61/1043816561.db2.gz BMGOHKDWGBCCOZ-UHFFFAOYSA-N 1 2 340.452 3.781 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CCCO2 ZINC000163164697 1043913526 /nfs/dbraw/zinc/91/35/26/1043913526.db2.gz BRQPOZARXNHVQM-HXUWFJFHSA-N 1 2 349.434 3.884 20 0 EHADLO CCCCc1noc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000279334189 1043964337 /nfs/dbraw/zinc/96/43/37/1043964337.db2.gz UGJZWDWLXVGLHU-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO CCCCc1noc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000279334189 1043964343 /nfs/dbraw/zinc/96/43/43/1043964343.db2.gz UGJZWDWLXVGLHU-UHFFFAOYSA-N 1 2 347.434 3.733 20 0 EHADLO COc1ccc(COCCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000128821351 1043989665 /nfs/dbraw/zinc/98/96/65/1043989665.db2.gz YBRNANMFBPTKJZ-UHFFFAOYSA-N 1 2 328.412 3.561 20 0 EHADLO c1oc2ccccc2c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001203151904 1043990612 /nfs/dbraw/zinc/99/06/12/1043990612.db2.gz GVOARZSWXDAUHO-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO CCc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)o1 ZINC000279394146 1044026757 /nfs/dbraw/zinc/02/67/57/1044026757.db2.gz CIVNBYUDTOCMPS-QWHCGFSZSA-N 1 2 325.416 3.742 20 0 EHADLO Cc1c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]c1NC1C[C@@H](C)O[C@H](C)C1 ZINC000663763115 1044180696 /nfs/dbraw/zinc/18/06/96/1044180696.db2.gz LDGHOKPSIDPGIE-MNLSVMLLSA-N 1 2 348.491 3.521 20 0 EHADLO Cc1c(NC2C[C@@H](C)O[C@H](C)C2)nc[nH+]c1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000663763115 1044180699 /nfs/dbraw/zinc/18/06/99/1044180699.db2.gz LDGHOKPSIDPGIE-MNLSVMLLSA-N 1 2 348.491 3.521 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1Cl ZINC000279557691 1044227380 /nfs/dbraw/zinc/22/73/80/1044227380.db2.gz UYTTZKHMDGGKLJ-FZMZJTMJSA-N 1 2 335.810 3.707 20 0 EHADLO COc1cc(Cl)c(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000344672908 1044271323 /nfs/dbraw/zinc/27/13/23/1044271323.db2.gz MDPZQXJBUADZEZ-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCc1c[nH+]cn1C ZINC000279716318 1044463479 /nfs/dbraw/zinc/46/34/79/1044463479.db2.gz AXIHVEYFESFIPQ-INIZCTEOSA-N 1 2 325.456 3.743 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cc(C)ccc1C ZINC000637503493 1044680434 /nfs/dbraw/zinc/68/04/34/1044680434.db2.gz BFBQZQRAUAARJI-FUHWJXTLSA-N 1 2 340.471 3.687 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]cc1-c1ccccc1 ZINC000345026308 1044843688 /nfs/dbraw/zinc/84/36/88/1044843688.db2.gz MGQQPZIYLYVTBL-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO Cc1ccc(SCC(=O)NCCCCNc2cccc[nH+]2)c(C)c1 ZINC000345026261 1044843833 /nfs/dbraw/zinc/84/38/33/1044843833.db2.gz MCHAVJAPXSBDRI-UHFFFAOYSA-N 1 2 343.496 3.799 20 0 EHADLO C[N@H+](CCCOCC(F)(F)F)Cc1nc(C(F)(F)F)cs1 ZINC000174986098 1139455347 /nfs/dbraw/zinc/45/53/47/1139455347.db2.gz DYDHCIWISCLTOX-UHFFFAOYSA-N 1 2 336.301 3.563 20 0 EHADLO C[N@@H+](CCCOCC(F)(F)F)Cc1nc(C(F)(F)F)cs1 ZINC000174986098 1139455349 /nfs/dbraw/zinc/45/53/49/1139455349.db2.gz DYDHCIWISCLTOX-UHFFFAOYSA-N 1 2 336.301 3.563 20 0 EHADLO CCCC(=O)NC1CC[NH+](Cc2csc(CCC(C)C)n2)CC1 ZINC000620347532 1125548223 /nfs/dbraw/zinc/54/82/23/1125548223.db2.gz VFJUWBBAYCEYOH-UHFFFAOYSA-N 1 2 337.533 3.612 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000620502314 1125583524 /nfs/dbraw/zinc/58/35/24/1125583524.db2.gz LNHIYYYEFDDRLA-KRWDZBQOSA-N 1 2 340.442 3.664 20 0 EHADLO O=S(=O)(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000153852180 1125668924 /nfs/dbraw/zinc/66/89/24/1125668924.db2.gz XCJRGJCRDRPPMX-UHFFFAOYSA-N 1 2 336.482 3.535 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000620757794 1125697795 /nfs/dbraw/zinc/69/77/95/1125697795.db2.gz IPAOATNNVWEJBG-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000154380767 1125715721 /nfs/dbraw/zinc/71/57/21/1125715721.db2.gz SBORGQHHRPVJAW-UHFFFAOYSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000154380767 1125715724 /nfs/dbraw/zinc/71/57/24/1125715724.db2.gz SBORGQHHRPVJAW-UHFFFAOYSA-N 1 2 343.858 3.860 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[NH+]1CCCCCC1 ZINC000154723254 1125752304 /nfs/dbraw/zinc/75/23/04/1125752304.db2.gz MSMDOBGYXQHRBD-JTQLQIEISA-N 1 2 331.243 3.902 20 0 EHADLO Cc1csc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000184954751 1126720088 /nfs/dbraw/zinc/72/00/88/1126720088.db2.gz SLJXPXAZIYIDQK-MRVPVSSYSA-N 1 2 345.237 3.910 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC2CCCC2)[C@H](C)C1 ZINC000622581998 1126724415 /nfs/dbraw/zinc/72/44/15/1126724415.db2.gz HYISDHYRWBMNMB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC2CCCC2)[C@H](C)C1 ZINC000622581998 1126724418 /nfs/dbraw/zinc/72/44/18/1126724418.db2.gz HYISDHYRWBMNMB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCCc1nc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836896 1126794576 /nfs/dbraw/zinc/79/45/76/1126794576.db2.gz UJEKBMMWZJKFJG-LPHOPBHVSA-N 1 2 329.444 3.622 20 0 EHADLO CCCc1nc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836896 1126794579 /nfs/dbraw/zinc/79/45/79/1126794579.db2.gz UJEKBMMWZJKFJG-LPHOPBHVSA-N 1 2 329.444 3.622 20 0 EHADLO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240286 1126815942 /nfs/dbraw/zinc/81/59/42/1126815942.db2.gz YCCUXHPFWLOUCH-PBHICJAKSA-N 1 2 349.438 3.776 20 0 EHADLO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240286 1126815946 /nfs/dbraw/zinc/81/59/46/1126815946.db2.gz YCCUXHPFWLOUCH-PBHICJAKSA-N 1 2 349.438 3.776 20 0 EHADLO CCC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OCC ZINC000174349047 1126851603 /nfs/dbraw/zinc/85/16/03/1126851603.db2.gz MPYDKKJWKPAQOL-GBESFXJTSA-N 1 2 333.472 3.784 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918649 1126934265 /nfs/dbraw/zinc/93/42/65/1126934265.db2.gz ULDPQIOVIYZJEH-DZGCQCFKSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918649 1126934269 /nfs/dbraw/zinc/93/42/69/1126934269.db2.gz ULDPQIOVIYZJEH-DZGCQCFKSA-N 1 2 343.500 3.889 20 0 EHADLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000185644657 1126967641 /nfs/dbraw/zinc/96/76/41/1126967641.db2.gz LUGALICBQJLJBK-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000185644657 1126967645 /nfs/dbraw/zinc/96/76/45/1126967645.db2.gz LUGALICBQJLJBK-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682263 1126987233 /nfs/dbraw/zinc/98/72/33/1126987233.db2.gz DTJVGMGSJNCCNS-HZPDHXFCSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000177682263 1126987234 /nfs/dbraw/zinc/98/72/34/1126987234.db2.gz DTJVGMGSJNCCNS-HZPDHXFCSA-N 1 2 347.480 3.732 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c(Cl)c1 ZINC000623600311 1126993786 /nfs/dbraw/zinc/99/37/86/1126993786.db2.gz HZJIWBCSKRQBDN-UHFFFAOYSA-N 1 2 335.732 3.830 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](c3ccccc3)C3CC3)no2)cc1 ZINC000179102673 1127044429 /nfs/dbraw/zinc/04/44/29/1127044429.db2.gz MZSFNUGBMDQYFS-IBGZPJMESA-N 1 2 335.407 3.986 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000179199974 1127050184 /nfs/dbraw/zinc/05/01/84/1127050184.db2.gz JRKXMLBCLFWTKB-QGZVFWFLSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1ccc(O)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000179603698 1127074873 /nfs/dbraw/zinc/07/48/73/1127074873.db2.gz AKBNDRXUPOBHIA-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(SC)cc1 ZINC000179927683 1127100527 /nfs/dbraw/zinc/10/05/27/1127100527.db2.gz LPRITDCPDKTFRR-GFCCVEGCSA-N 1 2 348.443 3.846 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 ZINC000180031969 1127111397 /nfs/dbraw/zinc/11/13/97/1127111397.db2.gz WGMOCNCNYZRGHD-MMYVAXCBSA-N 1 2 335.835 3.917 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C)c2nnc3ccccn32)c1Br ZINC000921509936 1127154284 /nfs/dbraw/zinc/15/42/84/1127154284.db2.gz WXJUXFBQIZKVJQ-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000180589673 1127175283 /nfs/dbraw/zinc/17/52/83/1127175283.db2.gz NGKBKXZWFHBNHV-UHFFFAOYSA-N 1 2 339.782 3.981 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000180673357 1127180721 /nfs/dbraw/zinc/18/07/21/1127180721.db2.gz NJMBVHYEZNCCMH-HZPDHXFCSA-N 1 2 344.499 3.838 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623866208 1127201727 /nfs/dbraw/zinc/20/17/27/1127201727.db2.gz OGAFPDPWGFOBDV-XJKSGUPXSA-N 1 2 343.496 3.839 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4scnc43)c[nH+]2)C[C@@H](C)O1 ZINC000623954695 1127221716 /nfs/dbraw/zinc/22/17/16/1127221716.db2.gz XPCBGLAMOGPOIS-NFAWXSAZSA-N 1 2 344.484 3.641 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)cs1 ZINC000624053442 1127243677 /nfs/dbraw/zinc/24/36/77/1127243677.db2.gz GDYAZINVJBBUFY-SECBINFHSA-N 1 2 332.395 3.870 20 0 EHADLO C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cscn1 ZINC000624078394 1127247487 /nfs/dbraw/zinc/24/74/87/1127247487.db2.gz GPVKPOMLCZZQDM-DRCTWCGVSA-N 1 2 328.359 3.728 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H](C[C@@H]3CCOC3)C1)nc1ccccc12 ZINC000624083790 1127247914 /nfs/dbraw/zinc/24/79/14/1127247914.db2.gz CSBMIOJXAHSMDZ-CVEARBPZSA-N 1 2 336.439 3.526 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1C1CC1 ZINC000181573475 1127283832 /nfs/dbraw/zinc/28/38/32/1127283832.db2.gz KLKHTIOSZOWTLV-GFCCVEGCSA-N 1 2 344.434 3.700 20 0 EHADLO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000182327446 1127323580 /nfs/dbraw/zinc/32/35/80/1127323580.db2.gz WWCAQPYAUCZWDZ-XHDPSFHLSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000182327446 1127323583 /nfs/dbraw/zinc/32/35/83/1127323583.db2.gz WWCAQPYAUCZWDZ-XHDPSFHLSA-N 1 2 345.270 3.821 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000182533244 1127335169 /nfs/dbraw/zinc/33/51/69/1127335169.db2.gz XHVPMMVBPVGATF-LLVKDONJSA-N 1 2 327.359 3.776 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000183094747 1127362063 /nfs/dbraw/zinc/36/20/63/1127362063.db2.gz LXNMPEIZVSABNQ-PEBXRYMYSA-N 1 2 336.526 3.650 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2oc3ccccc3c2C)C(C)C)n1 ZINC000183263213 1127369425 /nfs/dbraw/zinc/36/94/25/1127369425.db2.gz ZXFOPBLGPWFWSA-GOSISDBHSA-N 1 2 343.427 3.800 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000184248375 1127399848 /nfs/dbraw/zinc/39/98/48/1127399848.db2.gz XMBQOPKGIYRXGQ-GUYCJALGSA-N 1 2 349.475 3.755 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000184277544 1127400293 /nfs/dbraw/zinc/40/02/93/1127400293.db2.gz LDHAHFUBAKCQKZ-ZJUUUORDSA-N 1 2 348.497 3.778 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000184379064 1127403015 /nfs/dbraw/zinc/40/30/15/1127403015.db2.gz UQQUFGJEFSOOLW-OAHLLOKOSA-N 1 2 339.464 3.520 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cs1 ZINC000184672931 1127411170 /nfs/dbraw/zinc/41/11/70/1127411170.db2.gz JUWJJXFFKHFJAF-IFXJQAMLSA-N 1 2 345.512 3.870 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CC)C2CCCCC2)cs1 ZINC000184743678 1127412286 /nfs/dbraw/zinc/41/22/86/1127412286.db2.gz FRUJEBGYGCABMZ-KGLIPLIRSA-N 1 2 337.533 3.926 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)CCc1c[nH+]cn1C ZINC000193501100 1127438536 /nfs/dbraw/zinc/43/85/36/1127438536.db2.gz QLPHATKLYIXGRI-UHFFFAOYSA-N 1 2 343.471 3.547 20 0 EHADLO Cc1csc(C2([NH2+]CN3C(=O)[C@H](C)[C@H]3c3ccccc3)CCC2)n1 ZINC000764113988 1127444742 /nfs/dbraw/zinc/44/47/42/1127444742.db2.gz SGFQDBUFLGCVAR-ZBFHGGJFSA-N 1 2 341.480 3.597 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000780561533 1127466683 /nfs/dbraw/zinc/46/66/83/1127466683.db2.gz ZNNOCMPIIDGDPI-WDYCEAGBSA-N 1 2 340.471 3.729 20 0 EHADLO CC(C)(C)c1cc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000788060425 1127492166 /nfs/dbraw/zinc/49/21/66/1127492166.db2.gz ZLLVQSQWKAVERE-UHFFFAOYSA-N 1 2 325.368 3.515 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ncc(Cl)s3)CC2)cc1 ZINC000765036201 1127565834 /nfs/dbraw/zinc/56/58/34/1127565834.db2.gz VTNQHOTXDOFHLH-UHFFFAOYSA-N 1 2 336.892 3.943 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(C(F)F)CC1 ZINC000765145342 1127579960 /nfs/dbraw/zinc/57/99/60/1127579960.db2.gz CWLHYHVYOZIWAE-AWEZNQCLSA-N 1 2 328.790 3.548 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000350682382 1127583421 /nfs/dbraw/zinc/58/34/21/1127583421.db2.gz PFTRJVXWJSLFNQ-WDEREUQCSA-N 1 2 341.308 3.929 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2[nH+]1 ZINC000010896736 1127636699 /nfs/dbraw/zinc/63/66/99/1127636699.db2.gz KBFSBAZQFCNCMJ-UHFFFAOYSA-N 1 2 347.418 3.962 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012807728 1127643756 /nfs/dbraw/zinc/64/37/56/1127643756.db2.gz LXDDOWYKDAQZKJ-GOSISDBHSA-N 1 2 329.407 3.759 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000015294231 1127651711 /nfs/dbraw/zinc/65/17/11/1127651711.db2.gz KWAHHRFRMGYZJF-GFCCVEGCSA-N 1 2 334.872 3.811 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000015294231 1127651713 /nfs/dbraw/zinc/65/17/13/1127651713.db2.gz KWAHHRFRMGYZJF-GFCCVEGCSA-N 1 2 334.872 3.811 20 0 EHADLO O=C(CCc1ccc(F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000021135090 1127681071 /nfs/dbraw/zinc/68/10/71/1127681071.db2.gz LMXHJSRFABQMJN-UHFFFAOYSA-N 1 2 347.459 3.839 20 0 EHADLO CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000024152108 1127702968 /nfs/dbraw/zinc/70/29/68/1127702968.db2.gz VNZUQRMDCWJJOX-CQSZACIVSA-N 1 2 329.469 3.653 20 0 EHADLO CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000024152108 1127702971 /nfs/dbraw/zinc/70/29/71/1127702971.db2.gz VNZUQRMDCWJJOX-CQSZACIVSA-N 1 2 329.469 3.653 20 0 EHADLO CC[N@H+](Cc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000024166837 1127703295 /nfs/dbraw/zinc/70/32/95/1127703295.db2.gz VDGMBYRZEWOUQV-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO CC[N@@H+](Cc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000024166837 1127703298 /nfs/dbraw/zinc/70/32/98/1127703298.db2.gz VDGMBYRZEWOUQV-UHFFFAOYSA-N 1 2 327.815 3.599 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000024250283 1127704413 /nfs/dbraw/zinc/70/44/13/1127704413.db2.gz AREAUFAHXPJXBZ-CQSZACIVSA-N 1 2 344.405 3.937 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000024250283 1127704417 /nfs/dbraw/zinc/70/44/17/1127704417.db2.gz AREAUFAHXPJXBZ-CQSZACIVSA-N 1 2 344.405 3.937 20 0 EHADLO CCCc1nc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)co1 ZINC000347493003 1127736083 /nfs/dbraw/zinc/73/60/83/1127736083.db2.gz VWNBAAVYGBUQCA-UHFFFAOYSA-N 1 2 335.367 3.589 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC001168553086 1127749077 /nfs/dbraw/zinc/74/90/77/1127749077.db2.gz MZGFRWWKVJJTTR-VIFPVBQESA-N 1 2 340.748 3.541 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)NCCC1=CCCCC1 ZINC000026877844 1127775234 /nfs/dbraw/zinc/77/52/34/1127775234.db2.gz XUMNTZJDMKGLMB-JOCHJYFZSA-N 1 2 349.478 3.767 20 0 EHADLO O=C(CC1CCOCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172168767 1127794681 /nfs/dbraw/zinc/79/46/81/1127794681.db2.gz QNDWPMXWKIGESH-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO CO[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1SC)c1ccccc1 ZINC000338544345 1127797278 /nfs/dbraw/zinc/79/72/78/1127797278.db2.gz MUKDTZMTVIEMDL-KRWDZBQOSA-N 1 2 344.480 3.667 20 0 EHADLO CO[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1SC)c1ccccc1 ZINC000338544345 1127797282 /nfs/dbraw/zinc/79/72/82/1127797282.db2.gz MUKDTZMTVIEMDL-KRWDZBQOSA-N 1 2 344.480 3.667 20 0 EHADLO CC(C)c1noc2ncc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000029911652 1127811027 /nfs/dbraw/zinc/81/10/27/1127811027.db2.gz TYCODWCSLZWCID-UHFFFAOYSA-N 1 2 347.378 3.784 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917439 1127811086 /nfs/dbraw/zinc/81/10/86/1127811086.db2.gz DIHXMNKGUXDYJK-UHFFFAOYSA-N 1 2 331.419 3.932 20 0 EHADLO CNc1ccc(Nc2ccc(CCNC(=O)OC(C)(C)C)cc2)c[nH+]1 ZINC001203458243 1127831157 /nfs/dbraw/zinc/83/11/57/1127831157.db2.gz HPWMCWDHBRBZMQ-UHFFFAOYSA-N 1 2 342.443 3.934 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000077163250 1127839290 /nfs/dbraw/zinc/83/92/90/1127839290.db2.gz RKQFYXDSFRDOAK-UHFFFAOYSA-N 1 2 347.418 3.973 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000036700658 1127869302 /nfs/dbraw/zinc/86/93/02/1127869302.db2.gz VXBIDKOBABWLKW-UHFFFAOYSA-N 1 2 346.521 3.736 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3cccs3)cn2c1 ZINC000043507642 1127921689 /nfs/dbraw/zinc/92/16/89/1127921689.db2.gz PEEHDWWSLGFVAD-UHFFFAOYSA-N 1 2 345.493 3.596 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(SC)c(OC)c1)C2 ZINC000338632760 1127936617 /nfs/dbraw/zinc/93/66/17/1127936617.db2.gz MMBXVDHIBYKVHE-UHFFFAOYSA-N 1 2 345.464 3.820 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(SC)c(OC)c1)C2 ZINC000338632760 1127936621 /nfs/dbraw/zinc/93/66/21/1127936621.db2.gz MMBXVDHIBYKVHE-UHFFFAOYSA-N 1 2 345.464 3.820 20 0 EHADLO O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045068616 1127945474 /nfs/dbraw/zinc/94/54/74/1127945474.db2.gz REWRNABLPHKHFX-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2cc(F)ccc21 ZINC000045732721 1127957961 /nfs/dbraw/zinc/95/79/61/1127957961.db2.gz DOMBHYCNVCWCCB-UHFFFAOYSA-N 1 2 335.382 3.664 20 0 EHADLO Brc1cscc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000351608769 1127964545 /nfs/dbraw/zinc/96/45/45/1127964545.db2.gz QZRTUEYYYBMWBS-UHFFFAOYSA-N 1 2 338.274 3.540 20 0 EHADLO Cc1ccsc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046341629 1127976282 /nfs/dbraw/zinc/97/62/82/1127976282.db2.gz RKDTZGRSYOSPBS-GJZGRUSLSA-N 1 2 344.480 3.918 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000046502484 1127980783 /nfs/dbraw/zinc/98/07/83/1127980783.db2.gz RJSPCZVSGCJQHQ-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000046502484 1127980787 /nfs/dbraw/zinc/98/07/87/1127980787.db2.gz RJSPCZVSGCJQHQ-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO CCc1ccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047296071 1128005521 /nfs/dbraw/zinc/00/55/21/1128005521.db2.gz NEAFDWMQJACAAW-UHFFFAOYSA-N 1 2 333.435 3.766 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCc2ccccc21 ZINC000047298114 1128005543 /nfs/dbraw/zinc/00/55/43/1128005543.db2.gz SQHAIQLFVIGXAF-FQEVSTJZSA-N 1 2 331.419 3.691 20 0 EHADLO Cc1ccc([C@H](NC(=O)NCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000047597933 1128011685 /nfs/dbraw/zinc/01/16/85/1128011685.db2.gz HHILVKMIZMLGQG-HXUWFJFHSA-N 1 2 348.450 3.670 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccccc1OC1CCCC1 ZINC000047600078 1128012073 /nfs/dbraw/zinc/01/20/73/1128012073.db2.gz NEIDNPMBOYKKKU-UHFFFAOYSA-N 1 2 340.427 3.637 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000056985960 1128033846 /nfs/dbraw/zinc/03/38/46/1128033846.db2.gz HJYYYBUIDIUPQY-UHFFFAOYSA-N 1 2 335.835 3.534 20 0 EHADLO c1ccc(-c2cccnc2)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212366172 1128040701 /nfs/dbraw/zinc/04/07/01/1128040701.db2.gz FFNWEKAEYMOMHN-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)c2ccccc2)c1C ZINC000057607371 1128053149 /nfs/dbraw/zinc/05/31/49/1128053149.db2.gz IXQDXZXKIMAZJK-CQSZACIVSA-N 1 2 341.455 3.652 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000058298476 1128066213 /nfs/dbraw/zinc/06/62/13/1128066213.db2.gz ISEUGYXTLCQINT-GFCCVEGCSA-N 1 2 340.254 3.718 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000347556443 1128080512 /nfs/dbraw/zinc/08/05/12/1128080512.db2.gz IAPUALCCWHMWBJ-AWEZNQCLSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000347556443 1128080515 /nfs/dbraw/zinc/08/05/15/1128080515.db2.gz IAPUALCCWHMWBJ-AWEZNQCLSA-N 1 2 327.384 3.921 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000139925230 1128094008 /nfs/dbraw/zinc/09/40/08/1128094008.db2.gz LLRBNPUNGHCTJQ-MRXNPFEDSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)[C@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000139925230 1128094012 /nfs/dbraw/zinc/09/40/12/1128094012.db2.gz LLRBNPUNGHCTJQ-MRXNPFEDSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000060407804 1128101060 /nfs/dbraw/zinc/10/10/60/1128101060.db2.gz MCFOYGHRPYSCDE-MRXNPFEDSA-N 1 2 343.471 3.545 20 0 EHADLO COc1cccc(CN(C)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000060528953 1128105386 /nfs/dbraw/zinc/10/53/86/1128105386.db2.gz NTVKUEKQNLCEAC-DHZHZOJOSA-N 1 2 347.418 3.553 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000347608233 1128135694 /nfs/dbraw/zinc/13/56/94/1128135694.db2.gz XNOBQWFPPOPDKF-AWEZNQCLSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000347608233 1128135698 /nfs/dbraw/zinc/13/56/98/1128135698.db2.gz XNOBQWFPPOPDKF-AWEZNQCLSA-N 1 2 327.384 3.921 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000063704499 1128152158 /nfs/dbraw/zinc/15/21/58/1128152158.db2.gz AJBJISNBDBDXFW-INIZCTEOSA-N 1 2 341.455 3.509 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)NCCNc1cccc[nH+]1 ZINC000063707309 1128152765 /nfs/dbraw/zinc/15/27/65/1128152765.db2.gz AMKTXPNOWJEHAE-UHFFFAOYSA-N 1 2 349.887 3.836 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000064227429 1128163320 /nfs/dbraw/zinc/16/33/20/1128163320.db2.gz VKQLNOGLALZZCH-QGZVFWFLSA-N 1 2 340.471 3.983 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)c1cccnc1)OCO2 ZINC001649084121 1128184381 /nfs/dbraw/zinc/18/43/81/1128184381.db2.gz KSYQIJALVIMOBL-NRFANRHFSA-N 1 2 348.402 3.698 20 0 EHADLO Cc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)no1 ZINC000067718575 1128248600 /nfs/dbraw/zinc/24/86/00/1128248600.db2.gz YFEXZDJYZUQUQC-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C/c2ccccc2F)[nH+]1 ZINC000073437864 1128252015 /nfs/dbraw/zinc/25/20/15/1128252015.db2.gz VQVIDJLRJZOXTA-VAWYXSNFSA-N 1 2 343.398 3.735 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671753069 1128218494 /nfs/dbraw/zinc/21/84/94/1128218494.db2.gz ZXGRNWQCAPJTQZ-ZETCQYMHSA-N 1 2 340.276 3.941 20 0 EHADLO CCn1c(C[N@H+](C)Cc2cccc(OC)c2)nc2cc(F)ccc21 ZINC000066828473 1128228517 /nfs/dbraw/zinc/22/85/17/1128228517.db2.gz ACLRMIXDRKIEFG-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2cccc(OC)c2)nc2cc(F)ccc21 ZINC000066828473 1128228518 /nfs/dbraw/zinc/22/85/18/1128228518.db2.gz ACLRMIXDRKIEFG-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCc1nc(C[NH2+]Cc2cc(F)cc(Br)c2)cs1 ZINC000067216101 1128236704 /nfs/dbraw/zinc/23/67/04/1128236704.db2.gz ZJXGCFJGRYLCOY-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C[C@@H]1CCCO1 ZINC000067457318 1128241278 /nfs/dbraw/zinc/24/12/78/1128241278.db2.gz LVGRLCMNTFQFPH-NSHDSACASA-N 1 2 342.226 3.654 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C[C@@H]1CCCO1 ZINC000067457318 1128241282 /nfs/dbraw/zinc/24/12/82/1128241282.db2.gz LVGRLCMNTFQFPH-NSHDSACASA-N 1 2 342.226 3.654 20 0 EHADLO CCc1cc(NCCCCNc2cccc[nH+]2)nc(-c2ccncc2)n1 ZINC000068698627 1128272285 /nfs/dbraw/zinc/27/22/85/1128272285.db2.gz JDPWHRDEIBDJAD-UHFFFAOYSA-N 1 2 348.454 3.800 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069164888 1128283149 /nfs/dbraw/zinc/28/31/49/1128283149.db2.gz GWGDRMNKGDVSBW-LJQANCHMSA-N 1 2 341.430 3.632 20 0 EHADLO COCc1nc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cs1 ZINC000072598266 1128302735 /nfs/dbraw/zinc/30/27/35/1128302735.db2.gz WBZPOHWTXPPAFV-UHFFFAOYSA-N 1 2 335.448 3.505 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000368931489 1128356952 /nfs/dbraw/zinc/35/69/52/1128356952.db2.gz IROVFRSXNRYBCE-XYJFISCASA-N 1 2 340.471 3.501 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H](C)c1ccccc1 ZINC000368931485 1128356966 /nfs/dbraw/zinc/35/69/66/1128356966.db2.gz IROVFRSXNRYBCE-RYRKJORJSA-N 1 2 340.471 3.501 20 0 EHADLO CCO[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C(C)C ZINC000624467754 1128369896 /nfs/dbraw/zinc/36/98/96/1128369896.db2.gz GGESJINJDQSGEV-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO O=C1SCCN1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000073585833 1128416224 /nfs/dbraw/zinc/41/62/24/1128416224.db2.gz VWDDKGSXACRGHG-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO O=C1SCCN1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000073585833 1128416225 /nfs/dbraw/zinc/41/62/25/1128416225.db2.gz VWDDKGSXACRGHG-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO Cc1nc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000624537308 1128389339 /nfs/dbraw/zinc/38/93/39/1128389339.db2.gz AVGDNLMZJPIHRT-QGZVFWFLSA-N 1 2 337.402 3.728 20 0 EHADLO Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2N)c(C)[nH+]1 ZINC000186332882 1128392966 /nfs/dbraw/zinc/39/29/66/1128392966.db2.gz IRTATUBENYXJBV-UHFFFAOYSA-N 1 2 345.859 3.616 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3ccccc3C)[nH+]c12 ZINC000624580670 1128398177 /nfs/dbraw/zinc/39/81/77/1128398177.db2.gz JQGNFALJVGOGJO-LJQANCHMSA-N 1 2 333.435 3.857 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC001671000074 1128428486 /nfs/dbraw/zinc/42/84/86/1128428486.db2.gz YLXDQJGYDPTHDB-CVEARBPZSA-N 1 2 347.503 3.605 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC001671000074 1128428488 /nfs/dbraw/zinc/42/84/88/1128428488.db2.gz YLXDQJGYDPTHDB-CVEARBPZSA-N 1 2 347.503 3.605 20 0 EHADLO Cc1ccc(N2CCC(C(=O)Nc3c(O)cccc3Cl)CC2)[nH+]c1 ZINC000655110841 1128431404 /nfs/dbraw/zinc/43/14/04/1128431404.db2.gz QDJTXFZGKVNCQX-UHFFFAOYSA-N 1 2 345.830 3.604 20 0 EHADLO CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921655032 1128436637 /nfs/dbraw/zinc/43/66/37/1128436637.db2.gz HQVLFAOVWGZJFN-DLBZAZTESA-N 1 2 327.428 3.837 20 0 EHADLO CC[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000444887468 1128436888 /nfs/dbraw/zinc/43/68/88/1128436888.db2.gz NFCXOQLGXMYWND-FUHWJXTLSA-N 1 2 340.471 3.503 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1nccc2ccccc21 ZINC000338671199 1128440490 /nfs/dbraw/zinc/44/04/90/1128440490.db2.gz AOZNICFNEOMKCB-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)cc2)[nH+]c1C ZINC000921661919 1128441196 /nfs/dbraw/zinc/44/11/96/1128441196.db2.gz JVKCOLMSARGIHX-ABAIWWIYSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CCCCO3)cc2)[nH+]c1C ZINC000921663490 1128441642 /nfs/dbraw/zinc/44/16/42/1128441642.db2.gz XSZDPJFXNAJGQT-KRWDZBQOSA-N 1 2 327.428 3.981 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC3(O)CCCCC3)cc2)[nH+]c1C ZINC000921663559 1128441836 /nfs/dbraw/zinc/44/18/36/1128441836.db2.gz YEBKNMXMLZQSNI-UHFFFAOYSA-N 1 2 327.428 3.717 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn4c(n3)C[C@H](C)CC4)cc2)[nH+]c1C ZINC000921669361 1128448846 /nfs/dbraw/zinc/44/88/46/1128448846.db2.gz QYAHHFFDXVLDDE-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2coc(C3CC3)n2)no1)c1ccc(Cl)cc1 ZINC000624717099 1128487973 /nfs/dbraw/zinc/48/79/73/1128487973.db2.gz VHFYAKJDBKELTR-AWEZNQCLSA-N 1 2 344.802 3.906 20 0 EHADLO Cc1oc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C ZINC000107275876 1128530286 /nfs/dbraw/zinc/53/02/86/1128530286.db2.gz OXWJETZOQJHLAS-UHFFFAOYSA-N 1 2 341.455 3.910 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873543 1128534527 /nfs/dbraw/zinc/53/45/27/1128534527.db2.gz DYEAYUGYKJFDNN-SFHVURJKSA-N 1 2 334.822 3.684 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000542702369 1128548299 /nfs/dbraw/zinc/54/82/99/1128548299.db2.gz YYNIGPNDVHVYSK-AAEUAGOBSA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000542702369 1128548300 /nfs/dbraw/zinc/54/83/00/1128548300.db2.gz YYNIGPNDVHVYSK-AAEUAGOBSA-N 1 2 335.341 3.766 20 0 EHADLO Cc1noc([C@@H]2OCC[C@@H]2Nc2cc[nH+]c3c(Cl)cccc23)n1 ZINC000624754482 1128639468 /nfs/dbraw/zinc/63/94/68/1128639468.db2.gz VVSJHEFWWNZNLB-DZGCQCFKSA-N 1 2 330.775 3.522 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3noc4c3CCCC4)CC2)c1 ZINC000108850845 1128668038 /nfs/dbraw/zinc/66/80/38/1128668038.db2.gz XSZUEFAAFCNDHN-UHFFFAOYSA-N 1 2 345.874 3.525 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2noc3c2CCCC3)cc1OC ZINC000108851042 1128668395 /nfs/dbraw/zinc/66/83/95/1128668395.db2.gz UMWUGUJOSBXSJP-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2noc3c2CCCC3)cc1OC ZINC000108851042 1128668396 /nfs/dbraw/zinc/66/83/96/1128668396.db2.gz UMWUGUJOSBXSJP-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cc(OC)c1C(C)C ZINC000542827860 1128670971 /nfs/dbraw/zinc/67/09/71/1128670971.db2.gz ABDMKASGFQQQTF-UHFFFAOYSA-N 1 2 328.412 3.513 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921731048 1128680025 /nfs/dbraw/zinc/68/00/25/1128680025.db2.gz AXNVRUFWFUCQGJ-UHFFFAOYSA-N 1 2 326.625 3.605 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000428840036 1128705249 /nfs/dbraw/zinc/70/52/49/1128705249.db2.gz MGYUZKHPHFTWJK-UHFFFAOYSA-N 1 2 344.463 3.516 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc2ccccc2[nH]1 ZINC000921761057 1128734761 /nfs/dbraw/zinc/73/47/61/1128734761.db2.gz NHSZAZMMGIIHOL-HNNXBMFYSA-N 1 2 341.386 3.730 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000265743960 1128746416 /nfs/dbraw/zinc/74/64/16/1128746416.db2.gz WGDHMLNYKKOJSC-AWEZNQCLSA-N 1 2 338.411 3.876 20 0 EHADLO COc1cc(CNc2cc[nH+]c(OC(C)C)c2)cc(OC)c1OC ZINC001168672926 1128774559 /nfs/dbraw/zinc/77/45/59/1128774559.db2.gz OTPUVYIHVAOPIM-UHFFFAOYSA-N 1 2 332.400 3.507 20 0 EHADLO CC[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1nc(C(F)(F)F)cs1 ZINC000921808353 1128780545 /nfs/dbraw/zinc/78/05/45/1128780545.db2.gz XXYGMCVQVCBHEL-JTQLQIEISA-N 1 2 344.406 3.625 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000074869106 1128828875 /nfs/dbraw/zinc/82/88/75/1128828875.db2.gz ZGLYHRNLFTZUBD-NUJGCVRESA-N 1 2 340.471 3.534 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N(C)Cc3ccccc3)ccc21 ZINC001670366720 1120036106 /nfs/dbraw/zinc/03/61/06/1120036106.db2.gz SIAZMVHFYYHQLM-UHFFFAOYSA-N 1 2 334.423 3.965 20 0 EHADLO CCOc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1 ZINC001648841526 1120052627 /nfs/dbraw/zinc/05/26/27/1120052627.db2.gz YJGSJBKDLKGXLX-UHFFFAOYSA-N 1 2 326.440 3.659 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(CC2CCCCC2)OCC(C)C)c[nH+]1 ZINC001648892931 1120061629 /nfs/dbraw/zinc/06/16/29/1120061629.db2.gz KTHYVHKQGCHGQJ-UHFFFAOYSA-N 1 2 335.492 3.923 20 0 EHADLO CC(C)(C)OC(=O)N1CC([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000227608283 1120116528 /nfs/dbraw/zinc/11/65/28/1120116528.db2.gz VZCJLEGIFLBGAU-UHFFFAOYSA-N 1 2 331.243 3.702 20 0 EHADLO CC(C)(C)OC[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496665 1120147161 /nfs/dbraw/zinc/14/71/61/1120147161.db2.gz QTFWDNJNRHOIJD-CYBMUJFWSA-N 1 2 332.271 3.528 20 0 EHADLO CC(C)(C)OC[C@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496665 1120147163 /nfs/dbraw/zinc/14/71/63/1120147163.db2.gz QTFWDNJNRHOIJD-CYBMUJFWSA-N 1 2 332.271 3.528 20 0 EHADLO CC1(C)C[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000226751520 1120187073 /nfs/dbraw/zinc/18/70/73/1120187073.db2.gz NAHWHCWKACWXBY-SNVBAGLBSA-N 1 2 349.066 3.805 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2ccc(F)cc2)no1)c1ccc(F)cc1 ZINC000160547987 1120209237 /nfs/dbraw/zinc/20/92/37/1120209237.db2.gz VWBZRFCIWJCRBZ-UHFFFAOYSA-N 1 2 343.377 3.964 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245548668 1120331091 /nfs/dbraw/zinc/33/10/91/1120331091.db2.gz YDCXHULIDLHJQE-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245548668 1120331097 /nfs/dbraw/zinc/33/10/97/1120331097.db2.gz YDCXHULIDLHJQE-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO Clc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c2ccccc2n1 ZINC000829261169 1120374063 /nfs/dbraw/zinc/37/40/63/1120374063.db2.gz IWQMUJKDYFUHHZ-QGZVFWFLSA-N 1 2 334.872 3.596 20 0 EHADLO Clc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c2ccccc2n1 ZINC000829261169 1120374068 /nfs/dbraw/zinc/37/40/68/1120374068.db2.gz IWQMUJKDYFUHHZ-QGZVFWFLSA-N 1 2 334.872 3.596 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000184493230 1120377782 /nfs/dbraw/zinc/37/77/82/1120377782.db2.gz RONYSTWPXZZCCG-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000184493230 1120377786 /nfs/dbraw/zinc/37/77/86/1120377786.db2.gz RONYSTWPXZZCCG-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO CCCc1csc(CNC[C@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000494371653 1120544142 /nfs/dbraw/zinc/54/41/42/1120544142.db2.gz SWCQQPSIRDXPAP-MRXNPFEDSA-N 1 2 333.501 3.924 20 0 EHADLO Cc1[nH+]cc(CNc2ncccc2OC(F)F)n1-c1ccccc1 ZINC000189272847 1120574117 /nfs/dbraw/zinc/57/41/17/1120574117.db2.gz WOAUEQDLHMSDEM-UHFFFAOYSA-N 1 2 330.338 3.789 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nccs1 ZINC000190449987 1120639032 /nfs/dbraw/zinc/63/90/32/1120639032.db2.gz DIAFWIQGHAHOQV-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000191888708 1120701593 /nfs/dbraw/zinc/70/15/93/1120701593.db2.gz RYSYMMNZESHOQW-KRWDZBQOSA-N 1 2 331.456 3.702 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000494624923 1120704138 /nfs/dbraw/zinc/70/41/38/1120704138.db2.gz IOQSYJDMLWNNKB-CYBMUJFWSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nnc(-c2cccs2)o1 ZINC000494635890 1120708211 /nfs/dbraw/zinc/70/82/11/1120708211.db2.gz WRDKALWDLYDGOI-MNOVXSKESA-N 1 2 335.454 3.552 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000780578873 1120780787 /nfs/dbraw/zinc/78/07/87/1120780787.db2.gz ALGHINBXGCNOBW-WDEREUQCSA-N 1 2 326.322 3.529 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168468703 1120786773 /nfs/dbraw/zinc/78/67/73/1120786773.db2.gz NSPQTNBPHOBSDZ-KXBFYZLASA-N 1 2 329.415 3.521 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[NH2+][C@H](C)c3nncn3C)s2)cc1 ZINC000494796707 1120830719 /nfs/dbraw/zinc/83/07/19/1120830719.db2.gz WRBXUDUNXMOGDL-CYBMUJFWSA-N 1 2 341.484 3.913 20 0 EHADLO COc1cccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)n1 ZINC000112710212 1128944668 /nfs/dbraw/zinc/94/46/68/1128944668.db2.gz CMYOPIYBMIQTBY-UHFFFAOYSA-N 1 2 328.746 3.635 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)CCC(C)(C)C ZINC000542529041 1120919133 /nfs/dbraw/zinc/91/91/33/1120919133.db2.gz KWZGKDWISCWJLL-AWEZNQCLSA-N 1 2 333.476 3.628 20 0 EHADLO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000495066185 1120943261 /nfs/dbraw/zinc/94/32/61/1120943261.db2.gz LCDYKDRDVQQDEK-DNVCBOLYSA-N 1 2 342.487 3.903 20 0 EHADLO Cc1cccn2cc(Cc3noc(CCCc4ccsc4)n3)[nH+]c12 ZINC000761892191 1121003537 /nfs/dbraw/zinc/00/35/37/1121003537.db2.gz XSELNYMCTFFQBT-UHFFFAOYSA-N 1 2 338.436 3.853 20 0 EHADLO Cc1cnc(C2CC[NH+](CN3C[C@H](CC(C)(C)C)CC3=O)CC2)s1 ZINC000762170604 1121142319 /nfs/dbraw/zinc/14/23/19/1121142319.db2.gz OLGYXDBTFZWBEN-HNNXBMFYSA-N 1 2 349.544 3.873 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)NCC2CC2)c2ccccc2Cl)cc1 ZINC000495373687 1121151376 /nfs/dbraw/zinc/15/13/76/1121151376.db2.gz HHLOCADCIKEFGI-FQEVSTJZSA-N 1 2 342.870 3.854 20 0 EHADLO Cc1oc(-c2ccccc2)nc1Cc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351422322 1121162511 /nfs/dbraw/zinc/16/25/11/1121162511.db2.gz VMAVLUDASYDRCX-ZDUSSCGKSA-N 1 2 349.394 3.624 20 0 EHADLO C[C@H]1C[N@H+](CCOc2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000303917768 1121194239 /nfs/dbraw/zinc/19/42/39/1121194239.db2.gz OAOSKZWJSZDTDQ-LIRRHRJNSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000303917768 1121194242 /nfs/dbraw/zinc/19/42/42/1121194242.db2.gz OAOSKZWJSZDTDQ-LIRRHRJNSA-N 1 2 333.378 3.806 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3OC)oc2=S)C1 ZINC000915209702 1121253641 /nfs/dbraw/zinc/25/36/41/1121253641.db2.gz RUAUWWBHUKWTBR-ZDUSSCGKSA-N 1 2 333.457 3.961 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3OC)oc2=S)C1 ZINC000915209702 1121253645 /nfs/dbraw/zinc/25/36/45/1121253645.db2.gz RUAUWWBHUKWTBR-ZDUSSCGKSA-N 1 2 333.457 3.961 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(-c2ccccc2)cc1F ZINC000915351279 1121353380 /nfs/dbraw/zinc/35/33/80/1121353380.db2.gz XFJJVYZQTNHOHC-UHFFFAOYSA-N 1 2 338.386 3.901 20 0 EHADLO CC[C@H]([NH2+]Cc1cnc(C(C)C)s1)c1nnc2n1CCCCC2 ZINC001649015419 1121443286 /nfs/dbraw/zinc/44/32/86/1121443286.db2.gz PIRFLTALDGDSTL-AWEZNQCLSA-N 1 2 333.505 3.825 20 0 EHADLO CC(=O)CCCCOC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000762887073 1121503854 /nfs/dbraw/zinc/50/38/54/1121503854.db2.gz YTQSAIGVRJBDDN-SFHVURJKSA-N 1 2 345.483 3.632 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000171723209 1121514360 /nfs/dbraw/zinc/51/43/60/1121514360.db2.gz QLXHTMDYIPENQH-INIZCTEOSA-N 1 2 339.439 3.606 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1conc1CC ZINC000338783541 1128991355 /nfs/dbraw/zinc/99/13/55/1128991355.db2.gz PGSKEIVDWGEEMI-UHFFFAOYSA-N 1 2 339.395 3.598 20 0 EHADLO C[N@H+](Cc1cscc1Br)Cc1ccc2c(c1)OCO2 ZINC000347677924 1128995896 /nfs/dbraw/zinc/99/58/96/1128995896.db2.gz QXUWIFJWXICRRX-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO C[N@@H+](Cc1cscc1Br)Cc1ccc2c(c1)OCO2 ZINC000347677924 1128995900 /nfs/dbraw/zinc/99/59/00/1128995900.db2.gz QXUWIFJWXICRRX-UHFFFAOYSA-N 1 2 340.242 3.871 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C(F)=C1CCCC1 ZINC000763002815 1121650170 /nfs/dbraw/zinc/65/01/70/1121650170.db2.gz ALNZBBGOBIYNNQ-UHFFFAOYSA-N 1 2 329.375 3.698 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2[nH+]cc(C)cc2C)c(OC)c1 ZINC001212461677 1129004634 /nfs/dbraw/zinc/00/46/34/1129004634.db2.gz GMLHLNJWNJGOCV-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO Cc1ccc(C=CC(=O)Nc2cc[nH+]c(C)c2)c(Br)c1 ZINC000732767479 1121727286 /nfs/dbraw/zinc/72/72/86/1121727286.db2.gz HVZGLFHEMNSQGJ-AATRIKPKSA-N 1 2 331.213 3.535 20 0 EHADLO Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000054224964 1121749923 /nfs/dbraw/zinc/74/99/23/1121749923.db2.gz MHKQDDYRCUHNQR-CQSZACIVSA-N 1 2 339.370 3.726 20 0 EHADLO Cc1ccnn1-c1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000054518138 1121764896 /nfs/dbraw/zinc/76/48/96/1121764896.db2.gz WYZHPIYWURZXEH-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO CC(C)(C)n1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1C1CC1 ZINC000055408945 1121823028 /nfs/dbraw/zinc/82/30/28/1121823028.db2.gz SHELQVOVIGXYHQ-UHFFFAOYSA-N 1 2 349.438 3.954 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763330223 1121961232 /nfs/dbraw/zinc/96/12/32/1121961232.db2.gz AOMMMVFXQDUESJ-ZDUSSCGKSA-N 1 2 334.876 3.746 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763330223 1121961240 /nfs/dbraw/zinc/96/12/40/1121961240.db2.gz AOMMMVFXQDUESJ-ZDUSSCGKSA-N 1 2 334.876 3.746 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000672622484 1129027892 /nfs/dbraw/zinc/02/78/92/1129027892.db2.gz YZJMMDUHFMWFSW-XJKSGUPXSA-N 1 2 335.398 3.838 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023264 1122024834 /nfs/dbraw/zinc/02/48/34/1122024834.db2.gz IZXKZBBUEDEUMY-DOTOQJQBSA-N 1 2 346.544 3.615 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338789872 1129029788 /nfs/dbraw/zinc/02/97/88/1129029788.db2.gz IMKFDYQYHNJHJP-ZYSHUDEJSA-N 1 2 348.450 3.666 20 0 EHADLO C[C@H](C(=O)[C@@H](C#N)c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000153888612 1122087532 /nfs/dbraw/zinc/08/75/32/1122087532.db2.gz PFHQHWPRRLSKID-XLIONFOSSA-N 1 2 347.462 3.601 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000324672396 1122140161 /nfs/dbraw/zinc/14/01/61/1122140161.db2.gz LERPAYZXVPYRKU-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO c1ccc(Cc2nc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)no2)cc1 ZINC000124272800 1122279297 /nfs/dbraw/zinc/27/92/97/1122279297.db2.gz NGZMKJYUBGPWDG-LJQANCHMSA-N 1 2 333.435 3.725 20 0 EHADLO c1ccc(Cc2nc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)no2)cc1 ZINC000124272800 1122279300 /nfs/dbraw/zinc/27/93/00/1122279300.db2.gz NGZMKJYUBGPWDG-LJQANCHMSA-N 1 2 333.435 3.725 20 0 EHADLO COc1c(F)ccc(F)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000124362967 1122282187 /nfs/dbraw/zinc/28/21/87/1122282187.db2.gz MPXCRSWEGHJQAP-UHFFFAOYSA-N 1 2 347.296 3.551 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000124857688 1122298074 /nfs/dbraw/zinc/29/80/74/1122298074.db2.gz FDTHSNBZYVYNKW-GOSISDBHSA-N 1 2 340.471 3.653 20 0 EHADLO CN(C)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000125489616 1122318154 /nfs/dbraw/zinc/31/81/54/1122318154.db2.gz KEPUJCQVHXKUBW-MOPGFXCFSA-N 1 2 338.430 3.531 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(F)cc1 ZINC000497091888 1122333438 /nfs/dbraw/zinc/33/34/38/1122333438.db2.gz SNXQFSZURAYNED-UHFFFAOYSA-N 1 2 331.391 3.858 20 0 EHADLO COCC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccs1 ZINC000497117577 1122340647 /nfs/dbraw/zinc/34/06/47/1122340647.db2.gz UVYKUKFALOUWCW-UHFFFAOYSA-N 1 2 346.496 3.959 20 0 EHADLO COCC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccs1 ZINC000497117577 1122340652 /nfs/dbraw/zinc/34/06/52/1122340652.db2.gz UVYKUKFALOUWCW-UHFFFAOYSA-N 1 2 346.496 3.959 20 0 EHADLO Cc1ccc2c(CC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)coc2c1 ZINC000126559774 1122412619 /nfs/dbraw/zinc/41/26/19/1122412619.db2.gz QNFHBUOSCYAHCM-YJBOKZPZSA-N 1 2 337.423 3.590 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1F ZINC000126725919 1122420472 /nfs/dbraw/zinc/42/04/72/1122420472.db2.gz DYALCLVPUXAPGB-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO CC(C)c1cc(Nc2ccc([NH+]3CCCCC3)cc2)n2ncnc2n1 ZINC000916969885 1122426220 /nfs/dbraw/zinc/42/62/20/1122426220.db2.gz FSXSUTSSPQSCGU-UHFFFAOYSA-N 1 2 336.443 3.982 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)n(C(C)(C)C)n1 ZINC000917040027 1122444116 /nfs/dbraw/zinc/44/41/16/1122444116.db2.gz PEIBAWKYFCUUEO-CQSZACIVSA-N 1 2 340.471 3.504 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)n(C(C)(C)C)n1 ZINC000917040027 1122444121 /nfs/dbraw/zinc/44/41/21/1122444121.db2.gz PEIBAWKYFCUUEO-CQSZACIVSA-N 1 2 340.471 3.504 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)Cc2ccccc21 ZINC000917040911 1122444504 /nfs/dbraw/zinc/44/45/04/1122444504.db2.gz XSAIGEXDCHPILY-CYBMUJFWSA-N 1 2 341.480 3.580 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)Cc2ccccc21 ZINC000917040911 1122444506 /nfs/dbraw/zinc/44/45/06/1122444506.db2.gz XSAIGEXDCHPILY-CYBMUJFWSA-N 1 2 341.480 3.580 20 0 EHADLO Cc1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)cc[nH+]1 ZINC000127162962 1122466403 /nfs/dbraw/zinc/46/64/03/1122466403.db2.gz DBRIPYRBLYLJMS-UHFFFAOYSA-N 1 2 344.212 3.815 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564022 1122474779 /nfs/dbraw/zinc/47/47/79/1122474779.db2.gz AQUBPUVUXCNKJF-RDJZCZTQSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564022 1122474781 /nfs/dbraw/zinc/47/47/81/1122474781.db2.gz AQUBPUVUXCNKJF-RDJZCZTQSA-N 1 2 345.512 3.929 20 0 EHADLO COc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850294 1122487741 /nfs/dbraw/zinc/48/77/41/1122487741.db2.gz RCNPRCCRPRTPGU-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850294 1122487744 /nfs/dbraw/zinc/48/77/44/1122487744.db2.gz RCNPRCCRPRTPGU-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c(Cl)c1 ZINC000127817592 1122509387 /nfs/dbraw/zinc/50/93/87/1122509387.db2.gz YAUXZEYWEDGYPU-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c(Cl)c1 ZINC000127817592 1122509390 /nfs/dbraw/zinc/50/93/90/1122509390.db2.gz YAUXZEYWEDGYPU-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000067462815 1122515648 /nfs/dbraw/zinc/51/56/48/1122515648.db2.gz DBQAKSFBXDEUOE-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000067462815 1122515651 /nfs/dbraw/zinc/51/56/51/1122515651.db2.gz DBQAKSFBXDEUOE-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccoc1)c1ccc(Cl)cc1Cl ZINC000497462012 1122561794 /nfs/dbraw/zinc/56/17/94/1122561794.db2.gz DRUHILPAZBYWQC-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccoc1)c1ccc(Cl)cc1Cl ZINC000497462012 1122561796 /nfs/dbraw/zinc/56/17/96/1122561796.db2.gz DRUHILPAZBYWQC-LLVKDONJSA-N 1 2 341.238 3.896 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128535572 1122619405 /nfs/dbraw/zinc/61/94/05/1122619405.db2.gz JRUBQQPYJJOLCA-IRXDYDNUSA-N 1 2 342.508 3.832 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000917629034 1122651996 /nfs/dbraw/zinc/65/19/96/1122651996.db2.gz QZZNLMASJGVDGC-GHRIWEEISA-N 1 2 331.419 3.651 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](C)CCOc3ccc(Cl)cc3)c2c1 ZINC000917613807 1122653435 /nfs/dbraw/zinc/65/34/35/1122653435.db2.gz QNFRRKOHCBKCKV-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](C)CCOc3ccc(Cl)cc3)c2c1 ZINC000917613807 1122653438 /nfs/dbraw/zinc/65/34/38/1122653438.db2.gz QNFRRKOHCBKCKV-UHFFFAOYSA-N 1 2 346.814 3.525 20 0 EHADLO C[C@@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000068500362 1122658195 /nfs/dbraw/zinc/65/81/95/1122658195.db2.gz XHEXDHBMKVQJFO-JCVNQNCUSA-N 1 2 332.407 3.500 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1F ZINC000672777158 1129070908 /nfs/dbraw/zinc/07/09/08/1129070908.db2.gz UEUMNRDIECBMSR-GFCCVEGCSA-N 1 2 336.798 3.853 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(F)cc1 ZINC000069162734 1122755012 /nfs/dbraw/zinc/75/50/12/1122755012.db2.gz BOMDYIXCHCUNGK-LJQANCHMSA-N 1 2 338.382 3.681 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000918183755 1122772984 /nfs/dbraw/zinc/77/29/84/1122772984.db2.gz LAIIWSKSWJABRD-UHFFFAOYSA-N 1 2 339.439 3.664 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1cc(-c2ccc(F)cc2)no1 ZINC000918185818 1122773608 /nfs/dbraw/zinc/77/36/08/1122773608.db2.gz HWWNXYOOPNDZFL-UHFFFAOYSA-N 1 2 325.343 3.722 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000170704443 1122778233 /nfs/dbraw/zinc/77/82/33/1122778233.db2.gz DFLPDOSDOUZVEB-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000069519023 1122787826 /nfs/dbraw/zinc/78/78/26/1122787826.db2.gz HYQHJORTGIJVNK-CQSZACIVSA-N 1 2 332.469 3.653 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000069519023 1122787828 /nfs/dbraw/zinc/78/78/28/1122787828.db2.gz HYQHJORTGIJVNK-CQSZACIVSA-N 1 2 332.469 3.653 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cnc2c(c1)CCCC2)c1cccc(Cl)c1 ZINC000543003354 1129078347 /nfs/dbraw/zinc/07/83/47/1129078347.db2.gz PNLMAGDDLCPNJA-GOSISDBHSA-N 1 2 343.858 3.855 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000129544517 1122798442 /nfs/dbraw/zinc/79/84/42/1122798442.db2.gz PHCAINVPRWPFEC-LZQZEXGQSA-N 1 2 340.492 3.757 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000556151927 1122845666 /nfs/dbraw/zinc/84/56/66/1122845666.db2.gz LPHZAUTURUZGOJ-DZGCQCFKSA-N 1 2 347.821 3.596 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)C2CC2)C1 ZINC000444878927 1122853664 /nfs/dbraw/zinc/85/36/64/1122853664.db2.gz VDYYATRSRPKAHZ-GDBMZVCRSA-N 1 2 344.484 3.522 20 0 EHADLO Oc1c(F)cc(F)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001212479725 1129082870 /nfs/dbraw/zinc/08/28/70/1129082870.db2.gz OGNPTEGAXCSBQQ-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO Cc1cccn2c(C[N@H+](C)Cc3ccc(Br)o3)cnc12 ZINC000130694537 1122988000 /nfs/dbraw/zinc/98/80/00/1122988000.db2.gz QWSCKTGZJNCNDG-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1cccn2c(C[N@@H+](C)Cc3ccc(Br)o3)cnc12 ZINC000130694537 1122988002 /nfs/dbraw/zinc/98/80/02/1122988002.db2.gz QWSCKTGZJNCNDG-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000130982904 1123028384 /nfs/dbraw/zinc/02/83/84/1123028384.db2.gz VFOTZIXPMFEDBY-UONOGXRCSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000130982904 1123028391 /nfs/dbraw/zinc/02/83/91/1123028391.db2.gz VFOTZIXPMFEDBY-UONOGXRCSA-N 1 2 331.847 3.715 20 0 EHADLO C[C@@H](NCc1c[nH+]c2n1CCCC2)c1nc(C(F)(F)F)cs1 ZINC000556607628 1123056708 /nfs/dbraw/zinc/05/67/08/1123056708.db2.gz ACWBEYPTHIKNLW-SECBINFHSA-N 1 2 330.379 3.546 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763437308 1123086437 /nfs/dbraw/zinc/08/64/37/1123086437.db2.gz MNIGAEZKRSPLNB-WOJBJXKFSA-N 1 2 343.467 3.803 20 0 EHADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763437308 1123086442 /nfs/dbraw/zinc/08/64/42/1123086442.db2.gz MNIGAEZKRSPLNB-WOJBJXKFSA-N 1 2 343.467 3.803 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000131350770 1123088456 /nfs/dbraw/zinc/08/84/56/1123088456.db2.gz BBXMEVVNPBGSNX-OAHLLOKOSA-N 1 2 347.890 3.548 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000131350770 1123088460 /nfs/dbraw/zinc/08/84/60/1123088460.db2.gz BBXMEVVNPBGSNX-OAHLLOKOSA-N 1 2 347.890 3.548 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000072599464 1123127071 /nfs/dbraw/zinc/12/70/71/1123127071.db2.gz QSKHRWTWKWSGRK-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000919731323 1123138060 /nfs/dbraw/zinc/13/80/60/1123138060.db2.gz XYIOPUITANHDFY-UHFFFAOYSA-N 1 2 338.300 3.640 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000919731323 1123138062 /nfs/dbraw/zinc/13/80/62/1123138062.db2.gz XYIOPUITANHDFY-UHFFFAOYSA-N 1 2 338.300 3.640 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)n1 ZINC000499622863 1129102439 /nfs/dbraw/zinc/10/24/39/1129102439.db2.gz CFAXLYZRIWFQNU-CFYYFVFUSA-N 1 2 332.473 3.655 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)n1 ZINC000499622863 1129102440 /nfs/dbraw/zinc/10/24/40/1129102440.db2.gz CFAXLYZRIWFQNU-CFYYFVFUSA-N 1 2 332.473 3.655 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000072773351 1123156087 /nfs/dbraw/zinc/15/60/87/1123156087.db2.gz WSIYYQRHGRNTOR-KDOFPFPSSA-N 1 2 342.414 3.856 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000072773351 1123156092 /nfs/dbraw/zinc/15/60/92/1123156092.db2.gz WSIYYQRHGRNTOR-KDOFPFPSSA-N 1 2 342.414 3.856 20 0 EHADLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000556933941 1123222773 /nfs/dbraw/zinc/22/27/73/1123222773.db2.gz QCDZTAHPZKESTR-INIZCTEOSA-N 1 2 347.425 3.649 20 0 EHADLO Cn1cc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000556933941 1123222776 /nfs/dbraw/zinc/22/27/76/1123222776.db2.gz QCDZTAHPZKESTR-INIZCTEOSA-N 1 2 347.425 3.649 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000556948979 1123236475 /nfs/dbraw/zinc/23/64/75/1123236475.db2.gz WGMUCYAAJWEHEY-UHFFFAOYSA-N 1 2 349.438 3.660 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2cc(-c3ccccc3)cn2)cc1F ZINC000920255879 1123343656 /nfs/dbraw/zinc/34/36/56/1123343656.db2.gz KMEHLDPYNMKBLB-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2cc(-c3ccccc3)cn2)cc1F ZINC000920255879 1123343661 /nfs/dbraw/zinc/34/36/61/1123343661.db2.gz KMEHLDPYNMKBLB-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000920256900 1123344898 /nfs/dbraw/zinc/34/48/98/1123344898.db2.gz CCGZWZFUOVREMU-UHFFFAOYSA-N 1 2 345.830 3.637 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000920768606 1123422062 /nfs/dbraw/zinc/42/20/62/1123422062.db2.gz URMHQMPCJGENSW-AWEZNQCLSA-N 1 2 339.361 3.747 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCc2ccccc21 ZINC000920766984 1123422342 /nfs/dbraw/zinc/42/23/42/1123422342.db2.gz AWAJQMCVPDELSF-ZWKOTPCHSA-N 1 2 325.456 3.534 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C/c1ccccc1 ZINC000174904350 1123450576 /nfs/dbraw/zinc/45/05/76/1123450576.db2.gz FMSZTMJNGWEJIK-VAWYXSNFSA-N 1 2 349.478 3.860 20 0 EHADLO C[N@H+](Cn1ncc2ccccc2c1=O)C1CCC(C(C)(C)C)CC1 ZINC000921046841 1123458749 /nfs/dbraw/zinc/45/87/49/1123458749.db2.gz UFMBJKHZGUCPIG-UHFFFAOYSA-N 1 2 327.472 3.891 20 0 EHADLO C[N@@H+](Cn1ncc2ccccc2c1=O)C1CCC(C(C)(C)C)CC1 ZINC000921046841 1123458751 /nfs/dbraw/zinc/45/87/51/1123458751.db2.gz UFMBJKHZGUCPIG-UHFFFAOYSA-N 1 2 327.472 3.891 20 0 EHADLO CCCc1nc(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000921152740 1123472927 /nfs/dbraw/zinc/47/29/27/1123472927.db2.gz FHCQLAUUQZCMPS-UHFFFAOYSA-N 1 2 340.452 3.520 20 0 EHADLO CC(C)OCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921146897 1123477268 /nfs/dbraw/zinc/47/72/68/1123477268.db2.gz LZCFTGYUGKXNEA-UHFFFAOYSA-N 1 2 349.434 3.727 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000174949053 1123557968 /nfs/dbraw/zinc/55/79/68/1123557968.db2.gz AWHZNRFFZAHKSP-OLZOCXBDSA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000174949053 1123557969 /nfs/dbraw/zinc/55/79/69/1123557969.db2.gz AWHZNRFFZAHKSP-OLZOCXBDSA-N 1 2 336.530 3.715 20 0 EHADLO COc1c(C)c[nH+]c(CSc2n[nH]c(Cc3cccs3)n2)c1C ZINC000078807429 1123652766 /nfs/dbraw/zinc/65/27/66/1123652766.db2.gz GWTJQCQJEQJOKJ-UHFFFAOYSA-N 1 2 346.481 3.770 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136196352 1123675804 /nfs/dbraw/zinc/67/58/04/1123675804.db2.gz LYBDUOWNGLSXAH-IAGOWNOFSA-N 1 2 334.508 3.601 20 0 EHADLO O=C(CCCc1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255613 1123681283 /nfs/dbraw/zinc/68/12/83/1123681283.db2.gz YOHXOYXEKDVDPH-UHFFFAOYSA-N 1 2 337.467 3.711 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000610000986 1123709826 /nfs/dbraw/zinc/70/98/26/1123709826.db2.gz KOZDFYKJMKDEIB-MRXNPFEDSA-N 1 2 333.472 3.877 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(Cl)c3cccnc23)cc[nH+]1 ZINC000079718514 1123715387 /nfs/dbraw/zinc/71/53/87/1123715387.db2.gz VNQIBZIISAKDEW-UHFFFAOYSA-N 1 2 327.771 3.609 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000175705707 1123743353 /nfs/dbraw/zinc/74/33/53/1123743353.db2.gz JGFMRCWOVIGUMI-VHSXEESVSA-N 1 2 329.322 3.942 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000615308779 1123777483 /nfs/dbraw/zinc/77/74/83/1123777483.db2.gz UJCQIADWHUUDJI-KGLIPLIRSA-N 1 2 338.411 3.764 20 0 EHADLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccc2[nH+]ccn21 ZINC000179626643 1123805714 /nfs/dbraw/zinc/80/57/14/1123805714.db2.gz DWXVVRLFFSDREN-UHFFFAOYSA-N 1 2 330.775 3.528 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412358 1123816851 /nfs/dbraw/zinc/81/68/51/1123816851.db2.gz AKSFFYTWLZRXGJ-SNUQEOBHSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412358 1123816856 /nfs/dbraw/zinc/81/68/56/1123816856.db2.gz AKSFFYTWLZRXGJ-SNUQEOBHSA-N 1 2 330.378 3.985 20 0 EHADLO CCOc1ccc(N(CC)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000615690630 1123856873 /nfs/dbraw/zinc/85/68/73/1123856873.db2.gz STXNXNPMIZCQIL-UHFFFAOYSA-N 1 2 349.434 3.997 20 0 EHADLO COC(=O)c1ccc2c(c1)CN(c1c(C)c[nH+]c3c(OC)cccc31)C2 ZINC000615699642 1123859310 /nfs/dbraw/zinc/85/93/10/1123859310.db2.gz MQGLZWWTXFRQQF-UHFFFAOYSA-N 1 2 348.402 3.859 20 0 EHADLO C[C@@H](CC(=O)N(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000615813698 1123887022 /nfs/dbraw/zinc/88/70/22/1123887022.db2.gz NTEASDIIWHDSJY-RYUDHWBXSA-N 1 2 345.834 3.584 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)sc2C1 ZINC000245687563 1123923030 /nfs/dbraw/zinc/92/30/30/1123923030.db2.gz IWRAAHDHWTWIFX-MGPQQGTHSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)sc2C1 ZINC000245687563 1123923032 /nfs/dbraw/zinc/92/30/32/1123923032.db2.gz IWRAAHDHWTWIFX-MGPQQGTHSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245694868 1123927739 /nfs/dbraw/zinc/92/77/39/1123927739.db2.gz PLNSBCHCIWUBQO-QZTJIDSGSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245694868 1123927742 /nfs/dbraw/zinc/92/77/42/1123927742.db2.gz PLNSBCHCIWUBQO-QZTJIDSGSA-N 1 2 336.426 3.797 20 0 EHADLO CC(C)(C)CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543045041 1129154526 /nfs/dbraw/zinc/15/45/26/1129154526.db2.gz GIDWVCGWFJWDAT-UHFFFAOYSA-N 1 2 334.508 3.911 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)cc1OC ZINC000616279415 1123973422 /nfs/dbraw/zinc/97/34/22/1123973422.db2.gz BELLKNCQLXZPDX-HNNXBMFYSA-N 1 2 337.460 3.646 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)cc1OC ZINC000616279415 1123973424 /nfs/dbraw/zinc/97/34/24/1123973424.db2.gz BELLKNCQLXZPDX-HNNXBMFYSA-N 1 2 337.460 3.646 20 0 EHADLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000180415013 1124004323 /nfs/dbraw/zinc/00/43/23/1124004323.db2.gz OUAWNAKYRQYCBH-IBGZPJMESA-N 1 2 329.827 3.720 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000068961165 1124077901 /nfs/dbraw/zinc/07/79/01/1124077901.db2.gz UONBFAWVGBMGDU-UHFFFAOYSA-N 1 2 333.505 3.821 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000068961165 1124077906 /nfs/dbraw/zinc/07/79/06/1124077906.db2.gz UONBFAWVGBMGDU-UHFFFAOYSA-N 1 2 333.505 3.821 20 0 EHADLO C[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)(C)C ZINC000734515322 1131244945 /nfs/dbraw/zinc/24/49/45/1131244945.db2.gz VTHVFPIQUJMGPS-CYBMUJFWSA-N 1 2 338.521 3.933 20 0 EHADLO C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000734520883 1131245288 /nfs/dbraw/zinc/24/52/88/1131245288.db2.gz QDDDDJNWWRSSEJ-OAHLLOKOSA-N 1 2 332.492 3.553 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000246438781 1124467805 /nfs/dbraw/zinc/46/78/05/1124467805.db2.gz HOGZLJKDDYRSQY-AEFFLSMTSA-N 1 2 340.471 3.639 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246438781 1124467808 /nfs/dbraw/zinc/46/78/08/1124467808.db2.gz HOGZLJKDDYRSQY-AEFFLSMTSA-N 1 2 340.471 3.639 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCCc1ccc(C2CCCCC2)cc1 ZINC000617406736 1124526005 /nfs/dbraw/zinc/52/60/05/1124526005.db2.gz VWBFOIBBVQHMFS-UHFFFAOYSA-N 1 2 325.456 3.680 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248231048 1124646444 /nfs/dbraw/zinc/64/64/44/1124646444.db2.gz AKOCPLICDOOPJX-XHBSWPGZSA-N 1 2 342.842 3.551 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458671 1124665963 /nfs/dbraw/zinc/66/59/63/1124665963.db2.gz QKLPPTZCIAMROD-VMDGZTHMSA-N 1 2 344.405 3.630 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248458671 1124665966 /nfs/dbraw/zinc/66/59/66/1124665966.db2.gz QKLPPTZCIAMROD-VMDGZTHMSA-N 1 2 344.405 3.630 20 0 EHADLO Cc1cc(NC[C@@H](O)c2ccccc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000734834692 1131284562 /nfs/dbraw/zinc/28/45/62/1131284562.db2.gz DDAVXZICIMPUCG-CQSZACIVSA-N 1 2 337.345 3.827 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)c2cccs2)c1C ZINC000735185096 1131316886 /nfs/dbraw/zinc/31/68/86/1131316886.db2.gz IZEHGUMRDVOWLM-UHFFFAOYSA-N 1 2 333.457 3.503 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cn1 ZINC000090944545 1124946045 /nfs/dbraw/zinc/94/60/45/1124946045.db2.gz KQHSNQXHTXQFPE-CQSZACIVSA-N 1 2 327.407 3.640 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000735307010 1131329697 /nfs/dbraw/zinc/32/96/97/1131329697.db2.gz WSDOOEVQPGOMFQ-UHFFFAOYSA-N 1 2 342.870 3.860 20 0 EHADLO Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc(C(C)C)n1 ZINC000253479879 1125165324 /nfs/dbraw/zinc/16/53/24/1125165324.db2.gz SWAKMLVBNVWECL-UHFFFAOYSA-N 1 2 344.890 3.884 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1OC ZINC000093606404 1125274377 /nfs/dbraw/zinc/27/43/77/1125274377.db2.gz RNIPUXFYRVFFHX-IFXJQAMLSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1OC ZINC000093606404 1125274380 /nfs/dbraw/zinc/27/43/80/1125274380.db2.gz RNIPUXFYRVFFHX-IFXJQAMLSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865522 1125318957 /nfs/dbraw/zinc/31/89/57/1125318957.db2.gz CREUHMIUSAHYFG-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865522 1125318963 /nfs/dbraw/zinc/31/89/63/1125318963.db2.gz CREUHMIUSAHYFG-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)CC(C)(C)C ZINC000619529057 1125358060 /nfs/dbraw/zinc/35/80/60/1125358060.db2.gz BYPCYNXZLKEPRH-QGZVFWFLSA-N 1 2 345.531 3.835 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000255043131 1125367006 /nfs/dbraw/zinc/36/70/06/1125367006.db2.gz ZSGVEWGEEGHOHX-CGQZWFTASA-N 1 2 340.471 3.585 20 0 EHADLO CC(C)CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1 ZINC000152911073 1125395377 /nfs/dbraw/zinc/39/53/77/1125395377.db2.gz WMIFDXJRCLJLIU-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000619953196 1125442781 /nfs/dbraw/zinc/44/27/81/1125442781.db2.gz OTHVBFDIQARJNJ-ZQIUZPCESA-N 1 2 338.879 3.721 20 0 EHADLO COc1sc(C[N@H+](C)Cc2ccc(C)cn2)cc1Br ZINC000682788319 1129240726 /nfs/dbraw/zinc/24/07/26/1129240726.db2.gz LECAOBCMEBWMQL-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1sc(C[N@@H+](C)Cc2ccc(C)cn2)cc1Br ZINC000682788319 1129240729 /nfs/dbraw/zinc/24/07/29/1129240729.db2.gz LECAOBCMEBWMQL-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCCc1ccccc1Cl ZINC000543139601 1129276674 /nfs/dbraw/zinc/27/66/74/1129276674.db2.gz UGGHVOPVNUSSHE-OAHLLOKOSA-N 1 2 349.887 3.832 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCCc1ccccc1Cl ZINC000543139601 1129276676 /nfs/dbraw/zinc/27/66/76/1129276676.db2.gz UGGHVOPVNUSSHE-OAHLLOKOSA-N 1 2 349.887 3.832 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000067646020 1129292395 /nfs/dbraw/zinc/29/23/95/1129292395.db2.gz FIPFJKZURGXRLZ-UHFFFAOYSA-N 1 2 344.434 3.732 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079954297 1129310366 /nfs/dbraw/zinc/31/03/66/1129310366.db2.gz UCCVWQQMQQQVSA-UHFFFAOYSA-N 1 2 346.519 3.896 20 0 EHADLO CSc1ccccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068525216 1129377469 /nfs/dbraw/zinc/37/74/69/1129377469.db2.gz WUYSAYXOGPZVTR-UHFFFAOYSA-N 1 2 327.453 3.546 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](C)CCS(=O)(=O)CC ZINC000735669799 1131371921 /nfs/dbraw/zinc/37/19/21/1131371921.db2.gz CAAYRABVWAXJDP-UHFFFAOYSA-N 1 2 337.485 3.642 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](C)CCS(=O)(=O)CC ZINC000735669799 1131371926 /nfs/dbraw/zinc/37/19/26/1131371926.db2.gz CAAYRABVWAXJDP-UHFFFAOYSA-N 1 2 337.485 3.642 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C(C)(C)C)C3)cn2c1 ZINC000543346004 1129423963 /nfs/dbraw/zinc/42/39/63/1129423963.db2.gz OXYMCHFBRKVYIH-HNNXBMFYSA-N 1 2 345.512 3.771 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000673471776 1129443222 /nfs/dbraw/zinc/44/32/22/1129443222.db2.gz SJYBMTGXLXZZPJ-QAQDUYKDSA-N 1 2 349.544 3.824 20 0 EHADLO Cn1cc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c(C2CCCC2)n1 ZINC000922323914 1129467552 /nfs/dbraw/zinc/46/75/52/1129467552.db2.gz PJQQOCAUQRGZQL-UHFFFAOYSA-N 1 2 342.487 3.870 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000499769678 1129472173 /nfs/dbraw/zinc/47/21/73/1129472173.db2.gz BWWFQYXHKDEHSY-WMZOPIPTSA-N 1 2 333.428 3.765 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000499769678 1129472176 /nfs/dbraw/zinc/47/21/76/1129472176.db2.gz BWWFQYXHKDEHSY-WMZOPIPTSA-N 1 2 333.428 3.765 20 0 EHADLO COc1ccc(F)c(N[C@H](C[NH+]2CCOCC2)c2ccccc2C)c1 ZINC000543427050 1129481919 /nfs/dbraw/zinc/48/19/19/1129481919.db2.gz CEBKUGSBUPZYFV-HXUWFJFHSA-N 1 2 344.430 3.628 20 0 EHADLO Fc1ccc2ccc(C[NH2+]Cc3nc4c(s3)CCC4)nc2c1F ZINC000922472912 1129544620 /nfs/dbraw/zinc/54/46/20/1129544620.db2.gz PNRKSEXKJGFZOZ-UHFFFAOYSA-N 1 2 331.391 3.748 20 0 EHADLO Fc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1C(F)(F)F ZINC000922580162 1129579749 /nfs/dbraw/zinc/57/97/49/1129579749.db2.gz YJOZDIGBUSWUCF-AWEZNQCLSA-N 1 2 325.309 3.875 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OCC(C)C ZINC000922580341 1129580414 /nfs/dbraw/zinc/58/04/14/1129580414.db2.gz BQDMZLPQEWUAGT-LJQANCHMSA-N 1 2 341.455 3.761 20 0 EHADLO CCCCOc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC ZINC000922582390 1129581443 /nfs/dbraw/zinc/58/14/43/1129581443.db2.gz LPSWJONSLOEVAE-IBGZPJMESA-N 1 2 341.455 3.905 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)cc(Cl)c1 ZINC000362498053 1131385406 /nfs/dbraw/zinc/38/54/06/1131385406.db2.gz OAENNPKKIXBDMB-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000624941596 1129610516 /nfs/dbraw/zinc/61/05/16/1129610516.db2.gz WPJZMKXOKBXWHR-JBBSTSQOSA-N 1 2 333.819 3.524 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000624946353 1129620665 /nfs/dbraw/zinc/62/06/65/1129620665.db2.gz STTLAKSHEMMCSE-UHFFFAOYSA-N 1 2 335.407 3.929 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2nc3c(s2)CCCC3)c1OC ZINC000922699309 1129630890 /nfs/dbraw/zinc/63/08/90/1129630890.db2.gz DMIWDBRNWQRXKW-UHFFFAOYSA-N 1 2 332.469 3.637 20 0 EHADLO CN(C)c1c(C[NH2+]Cc2nc3c(s2)CCCC3)ccc(F)c1F ZINC000922700486 1129631387 /nfs/dbraw/zinc/63/13/87/1129631387.db2.gz POWWYNZOLRXYLD-UHFFFAOYSA-N 1 2 337.439 3.656 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c[nH+]1 ZINC000922784230 1129662648 /nfs/dbraw/zinc/66/26/48/1129662648.db2.gz XWHRJUTWAUERNO-IAGOWNOFSA-N 1 2 345.393 3.547 20 0 EHADLO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347735477 1129668722 /nfs/dbraw/zinc/66/87/22/1129668722.db2.gz QNURKUMIPPMUNR-OAHLLOKOSA-N 1 2 335.835 3.697 20 0 EHADLO CCOC(=O)CCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347735477 1129668723 /nfs/dbraw/zinc/66/87/23/1129668723.db2.gz QNURKUMIPPMUNR-OAHLLOKOSA-N 1 2 335.835 3.697 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCC(C)CC1 ZINC000673668578 1129788487 /nfs/dbraw/zinc/78/84/87/1129788487.db2.gz FHFFCAJTZZMZGM-LAGYLCCXSA-N 1 2 325.456 3.875 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625264827 1129794870 /nfs/dbraw/zinc/79/48/70/1129794870.db2.gz RQNYEVZUTABQAZ-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625264827 1129794872 /nfs/dbraw/zinc/79/48/72/1129794872.db2.gz RQNYEVZUTABQAZ-MRXNPFEDSA-N 1 2 349.272 3.617 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3ccc(CC(C)C)cc3)[nH+]c12 ZINC000673724520 1129810803 /nfs/dbraw/zinc/81/08/03/1129810803.db2.gz FDVFYJATGFBRBX-UHFFFAOYSA-N 1 2 349.478 3.743 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccco1 ZINC000625319900 1129825219 /nfs/dbraw/zinc/82/52/19/1129825219.db2.gz RINQDGXHHYHJCB-ZWKOTPCHSA-N 1 2 348.487 3.517 20 0 EHADLO COCC[C@@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1ccco1 ZINC000625319319 1129825517 /nfs/dbraw/zinc/82/55/17/1129825517.db2.gz LZRODVYNNGKNIK-MRXNPFEDSA-N 1 2 330.359 3.941 20 0 EHADLO Cc1cc(C)c(NC(=S)NNc2cc(C)[nH+]c(C)n2)c(Cl)c1 ZINC000735990356 1131400269 /nfs/dbraw/zinc/40/02/69/1131400269.db2.gz WITSWSWMUKVXFY-UHFFFAOYSA-N 1 2 335.864 3.677 20 0 EHADLO CC(C)[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC000509137579 1129833763 /nfs/dbraw/zinc/83/37/63/1129833763.db2.gz KLUNHTKAUJZGRF-SFHVURJKSA-N 1 2 342.487 3.877 20 0 EHADLO Cc1[nH]nc2ncc(CNc3[nH+]c4ccccc4n3C3CCCC3)cc12 ZINC000347807232 1129839636 /nfs/dbraw/zinc/83/96/36/1129839636.db2.gz DARNEWFMFASKEX-UHFFFAOYSA-N 1 2 346.438 3.765 20 0 EHADLO CCc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282443107 1129844115 /nfs/dbraw/zinc/84/41/15/1129844115.db2.gz VAOCQHBOXZYGOA-QGZVFWFLSA-N 1 2 337.467 3.802 20 0 EHADLO C[C@@H]1CC/C(=C\C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282452330 1129871973 /nfs/dbraw/zinc/87/19/73/1129871973.db2.gz VNIFBZIFEAMCHP-SNZVKZEVSA-N 1 2 327.472 3.672 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000132086126 1129875014 /nfs/dbraw/zinc/87/50/14/1129875014.db2.gz FIENCODWFOHMAL-QGZVFWFLSA-N 1 2 326.444 3.592 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429165361 1129908956 /nfs/dbraw/zinc/90/89/56/1129908956.db2.gz FHBOWRFELYCKIR-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000429165361 1129908959 /nfs/dbraw/zinc/90/89/59/1129908959.db2.gz FHBOWRFELYCKIR-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000282482210 1129930744 /nfs/dbraw/zinc/93/07/44/1129930744.db2.gz LRGPLPPYLRSGHB-NSHDSACASA-N 1 2 336.892 3.769 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCn3c(nnc3C3CCCC3)C2)cc1F ZINC000347856464 1129934304 /nfs/dbraw/zinc/93/43/04/1129934304.db2.gz NQKPTVOJHCSRDX-ONEGZZNKSA-N 1 2 344.409 3.743 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCn3c(nnc3C3CCCC3)C2)cc1F ZINC000347856464 1129934307 /nfs/dbraw/zinc/93/43/07/1129934307.db2.gz NQKPTVOJHCSRDX-ONEGZZNKSA-N 1 2 344.409 3.743 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673989157 1129940820 /nfs/dbraw/zinc/94/08/20/1129940820.db2.gz IBUZFYPCYZHQJZ-HOCLYGCPSA-N 1 2 347.846 3.558 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccn1Cc1ccccc1 ZINC000058383520 1129941470 /nfs/dbraw/zinc/94/14/70/1129941470.db2.gz RFHZFKQHSRTTLU-UHFFFAOYSA-N 1 2 342.402 3.974 20 0 EHADLO CSc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282491518 1129943345 /nfs/dbraw/zinc/94/33/45/1129943345.db2.gz YIZGFFGKBLCTGY-CYBMUJFWSA-N 1 2 345.468 3.554 20 0 EHADLO CCc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000347871197 1129951486 /nfs/dbraw/zinc/95/14/86/1129951486.db2.gz REDUODIIUWJCPK-UHFFFAOYSA-N 1 2 326.284 3.961 20 0 EHADLO CCc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000347871197 1129951488 /nfs/dbraw/zinc/95/14/88/1129951488.db2.gz REDUODIIUWJCPK-UHFFFAOYSA-N 1 2 326.284 3.961 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651082 1129969273 /nfs/dbraw/zinc/96/92/73/1129969273.db2.gz ZAVIVAYZCMDPIY-GRYCIOLGSA-N 1 2 330.806 3.890 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651082 1129969276 /nfs/dbraw/zinc/96/92/76/1129969276.db2.gz ZAVIVAYZCMDPIY-GRYCIOLGSA-N 1 2 330.806 3.890 20 0 EHADLO Cc1cc(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)no1 ZINC000625659075 1129971695 /nfs/dbraw/zinc/97/16/95/1129971695.db2.gz MXRGGTOUKPAVHS-UHFFFAOYSA-N 1 2 344.459 3.868 20 0 EHADLO Clc1cccnc1C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000429211040 1129980576 /nfs/dbraw/zinc/98/05/76/1129980576.db2.gz VTEAZFGNOOWGSP-UHFFFAOYSA-N 1 2 326.831 3.991 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221910 1130010866 /nfs/dbraw/zinc/01/08/66/1130010866.db2.gz SZPIXQKZPOEAFD-RHSMWYFYSA-N 1 2 349.906 3.609 20 0 EHADLO Fc1cc(F)c(F)c(CNc2cc(N3CCCCC3)nc[nH+]2)c1F ZINC000674413722 1130087031 /nfs/dbraw/zinc/08/70/31/1130087031.db2.gz FQURTUFTRPJWNB-UHFFFAOYSA-N 1 2 340.324 3.635 20 0 EHADLO Fc1cc(F)c(F)c(CNc2cc(N3CCCCC3)[nH+]cn2)c1F ZINC000674413722 1130087035 /nfs/dbraw/zinc/08/70/35/1130087035.db2.gz FQURTUFTRPJWNB-UHFFFAOYSA-N 1 2 340.324 3.635 20 0 EHADLO O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc2[nH+]ccn2c1 ZINC000674569056 1130135123 /nfs/dbraw/zinc/13/51/23/1130135123.db2.gz RDMNDABZQCNHMS-RYUDHWBXSA-N 1 2 340.349 3.825 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000674672631 1130174311 /nfs/dbraw/zinc/17/43/11/1130174311.db2.gz KVYVXTJXXAEHLA-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000674690570 1130177074 /nfs/dbraw/zinc/17/70/74/1130177074.db2.gz SRUYJOQVDHZQLI-UHFFFAOYSA-N 1 2 327.762 3.615 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@H+](Cn2c(=S)ncn2-c2ccccc2)C1 ZINC000766089957 1130257978 /nfs/dbraw/zinc/25/79/78/1130257978.db2.gz DZRNTJHYRSXXLI-GFCCVEGCSA-N 1 2 342.390 3.635 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@@H+](Cn2c(=S)ncn2-c2ccccc2)C1 ZINC000766089957 1130257985 /nfs/dbraw/zinc/25/79/85/1130257985.db2.gz DZRNTJHYRSXXLI-GFCCVEGCSA-N 1 2 342.390 3.635 20 0 EHADLO CC[C@]1(C)CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675190219 1130279186 /nfs/dbraw/zinc/27/91/86/1130279186.db2.gz ATIZVHLITMHQQN-FXAWDEMLSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000675257492 1130299160 /nfs/dbraw/zinc/29/91/60/1130299160.db2.gz KWWMOLORZMGNAK-MAUKXSAKSA-N 1 2 345.874 3.887 20 0 EHADLO C[C@H]1c2c(F)cccc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766103492 1130307489 /nfs/dbraw/zinc/30/74/89/1130307489.db2.gz CGZIVEAKNVEVDC-LBPRGKRZSA-N 1 2 339.418 3.844 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)no1 ZINC000675493078 1130413204 /nfs/dbraw/zinc/41/32/04/1130413204.db2.gz QCAUEGJLFIPGIQ-INIZCTEOSA-N 1 2 349.438 3.523 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)no1 ZINC000675493078 1130413209 /nfs/dbraw/zinc/41/32/09/1130413209.db2.gz QCAUEGJLFIPGIQ-INIZCTEOSA-N 1 2 349.438 3.523 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000675566164 1130425020 /nfs/dbraw/zinc/42/50/20/1130425020.db2.gz FWEXJUABZWVIAG-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)sc1C ZINC000675643834 1130437375 /nfs/dbraw/zinc/43/73/75/1130437375.db2.gz ZAADKJNHNMOPIK-UHFFFAOYSA-N 1 2 330.453 3.560 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCc4ccccc4[C@@H]3C(C)C)[nH+]c12 ZINC000675680781 1130450955 /nfs/dbraw/zinc/45/09/55/1130450955.db2.gz ZDVHWEWFZSYTNH-NRFANRHFSA-N 1 2 347.462 3.967 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(C1CC1)C1CCCCC1 ZINC000675961553 1130510447 /nfs/dbraw/zinc/51/04/47/1130510447.db2.gz BZTKPMHUJQANAK-UHFFFAOYSA-N 1 2 338.455 3.879 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)nn1C ZINC000676040475 1130521380 /nfs/dbraw/zinc/52/13/80/1130521380.db2.gz JARQRUTUZGWANI-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2Br)nn1C ZINC000676040475 1130521381 /nfs/dbraw/zinc/52/13/81/1130521381.db2.gz JARQRUTUZGWANI-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Brc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H]1CCCOC1)CC3 ZINC000676084997 1130529548 /nfs/dbraw/zinc/52/95/48/1130529548.db2.gz FWAMWFLXFTVXED-LBPRGKRZSA-N 1 2 349.272 3.715 20 0 EHADLO Brc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H]1CCCOC1)CC3 ZINC000676084997 1130529552 /nfs/dbraw/zinc/52/95/52/1130529552.db2.gz FWAMWFLXFTVXED-LBPRGKRZSA-N 1 2 349.272 3.715 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000676123081 1130536000 /nfs/dbraw/zinc/53/60/00/1130536000.db2.gz HQNJWXWFJBECAM-UHFFFAOYSA-N 1 2 343.818 3.639 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000676305463 1130560030 /nfs/dbraw/zinc/56/00/30/1130560030.db2.gz LGSVPQZLWADMSU-CRAIPNDOSA-N 1 2 338.455 3.652 20 0 EHADLO COc1ccccc1/C(C)=C/C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727862131 1130603210 /nfs/dbraw/zinc/60/32/10/1130603210.db2.gz BOPWTFBSBXZEHP-XOVFHRFOSA-N 1 2 341.455 3.526 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000728041117 1130620128 /nfs/dbraw/zinc/62/01/28/1130620128.db2.gz CCLYTYDBTQAMEV-CQSZACIVSA-N 1 2 328.481 3.657 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000728041117 1130620132 /nfs/dbraw/zinc/62/01/32/1130620132.db2.gz CCLYTYDBTQAMEV-CQSZACIVSA-N 1 2 328.481 3.657 20 0 EHADLO CC(C)Sc1c(Cl)cccc1NC(=O)NCc1c[nH+]cn1C ZINC000290533158 1130636975 /nfs/dbraw/zinc/63/69/75/1130636975.db2.gz XLTSGCYTMJEXFX-UHFFFAOYSA-N 1 2 338.864 3.896 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1=S ZINC000729985747 1130662175 /nfs/dbraw/zinc/66/21/75/1130662175.db2.gz PYALIZYRNAZDSG-KRWDZBQOSA-N 1 2 330.501 3.655 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1=S ZINC000729985747 1130662183 /nfs/dbraw/zinc/66/21/83/1130662183.db2.gz PYALIZYRNAZDSG-KRWDZBQOSA-N 1 2 330.501 3.655 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCc3sccc3C2)C1 ZINC000730457975 1130712556 /nfs/dbraw/zinc/71/25/56/1130712556.db2.gz NCCUPKXRZCWWBL-ZDUSSCGKSA-N 1 2 348.537 3.892 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCCc3sccc3C2)C1 ZINC000730457975 1130712560 /nfs/dbraw/zinc/71/25/60/1130712560.db2.gz NCCUPKXRZCWWBL-ZDUSSCGKSA-N 1 2 348.537 3.892 20 0 EHADLO CCC/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138076 1130889735 /nfs/dbraw/zinc/88/97/35/1130889735.db2.gz LRUXUXAIUPTQPO-RRGWEWPQSA-N 1 2 338.854 3.916 20 0 EHADLO CCC/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138076 1130889742 /nfs/dbraw/zinc/88/97/42/1130889742.db2.gz LRUXUXAIUPTQPO-RRGWEWPQSA-N 1 2 338.854 3.916 20 0 EHADLO Cc1noc2ncc(C[NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)cc12 ZINC000822284933 1130981161 /nfs/dbraw/zinc/98/11/61/1130981161.db2.gz YYNCRWYQRWLVAH-QMMMGPOBSA-N 1 2 342.346 3.857 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@H]2CCCC[C@@H]2C)n1 ZINC000733136571 1130998709 /nfs/dbraw/zinc/99/87/09/1130998709.db2.gz ZHGHTRIWZWLLQC-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO CCc1ccc(-c2noc(C[NH+]3CCC(c4ncco4)CC3)n2)cc1 ZINC000823523700 1131070544 /nfs/dbraw/zinc/07/05/44/1131070544.db2.gz MYLNTONTYDLBHC-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO CO[C@@H](C[N@@H+]1CCc2cc(Br)cc(F)c2C1)C1CCC1 ZINC001307618179 1131127366 /nfs/dbraw/zinc/12/73/66/1131127366.db2.gz MQSIOLRHPJFPLC-INIZCTEOSA-N 1 2 342.252 3.761 20 0 EHADLO CO[C@@H](C[N@H+]1CCc2cc(Br)cc(F)c2C1)C1CCC1 ZINC001307618179 1131127368 /nfs/dbraw/zinc/12/73/68/1131127368.db2.gz MQSIOLRHPJFPLC-INIZCTEOSA-N 1 2 342.252 3.761 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Br)s1 ZINC000282632397 1131127423 /nfs/dbraw/zinc/12/74/23/1131127423.db2.gz JUFNLYIJDHVUGT-VIFPVBQESA-N 1 2 343.294 3.708 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000738283861 1131465771 /nfs/dbraw/zinc/46/57/71/1131465771.db2.gz HJCRIWULXSPKQD-CYBMUJFWSA-N 1 2 349.459 3.643 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000738283861 1131465772 /nfs/dbraw/zinc/46/57/72/1131465772.db2.gz HJCRIWULXSPKQD-CYBMUJFWSA-N 1 2 349.459 3.643 20 0 EHADLO CC(C)([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000738435673 1131469698 /nfs/dbraw/zinc/46/96/98/1131469698.db2.gz JAJJNLXKYBXDKA-UHFFFAOYSA-N 1 2 326.831 3.946 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000739887643 1131512822 /nfs/dbraw/zinc/51/28/22/1131512822.db2.gz ILOUHGXJNRUIHS-ZBFHGGJFSA-N 1 2 345.512 3.860 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000739887643 1131512824 /nfs/dbraw/zinc/51/28/24/1131512824.db2.gz ILOUHGXJNRUIHS-ZBFHGGJFSA-N 1 2 345.512 3.860 20 0 EHADLO C[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000740448932 1131530070 /nfs/dbraw/zinc/53/00/70/1131530070.db2.gz HWMVKEXCVPKTBQ-OAHLLOKOSA-N 1 2 344.459 3.766 20 0 EHADLO C[C@@H](CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000740727363 1131538507 /nfs/dbraw/zinc/53/85/07/1131538507.db2.gz NDQMAWDVRSOURE-BJIFSAINSA-N 1 2 325.456 3.646 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)o1 ZINC000740881045 1131552710 /nfs/dbraw/zinc/55/27/10/1131552710.db2.gz GBKMNIOCVZBUNE-ZIAGYGMSSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)o1 ZINC000740881045 1131552713 /nfs/dbraw/zinc/55/27/13/1131552713.db2.gz GBKMNIOCVZBUNE-ZIAGYGMSSA-N 1 2 337.464 3.533 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986844 1131564059 /nfs/dbraw/zinc/56/40/59/1131564059.db2.gz GVABKPHIBHBFNL-GJZGRUSLSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986844 1131564060 /nfs/dbraw/zinc/56/40/60/1131564060.db2.gz GVABKPHIBHBFNL-GJZGRUSLSA-N 1 2 327.399 3.877 20 0 EHADLO CC(C)c1ccc(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000741030587 1131566644 /nfs/dbraw/zinc/56/66/44/1131566644.db2.gz YDTICCAYYPCLPS-INIZCTEOSA-N 1 2 331.456 3.800 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1cccc(C)c1)c1ccccc1 ZINC000741150245 1131583963 /nfs/dbraw/zinc/58/39/63/1131583963.db2.gz BIFYQIXEBYEHND-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1cccc(C)c1)c1ccccc1 ZINC000741150245 1131583966 /nfs/dbraw/zinc/58/39/66/1131583966.db2.gz BIFYQIXEBYEHND-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741740569 1131641134 /nfs/dbraw/zinc/64/11/34/1131641134.db2.gz TWHORVAROWFBRI-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000741798047 1131651879 /nfs/dbraw/zinc/65/18/79/1131651879.db2.gz PSRQDWNWVXZVID-CQSZACIVSA-N 1 2 349.883 3.561 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000741798047 1131651880 /nfs/dbraw/zinc/65/18/80/1131651880.db2.gz PSRQDWNWVXZVID-CQSZACIVSA-N 1 2 349.883 3.561 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3ncc(C(C)C)o3)CC2)c1C ZINC000741807476 1131653524 /nfs/dbraw/zinc/65/35/24/1131653524.db2.gz DFCSLXCMDKAUBE-UHFFFAOYSA-N 1 2 328.456 3.898 20 0 EHADLO CC[C@H](C)NC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877547 1131663597 /nfs/dbraw/zinc/66/35/97/1131663597.db2.gz XGGHRFPJISLVAY-UONOGXRCSA-N 1 2 339.936 3.692 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1[nH]c(-c2ccc3c(c2)CCC3)nc1=S ZINC000742153451 1131693769 /nfs/dbraw/zinc/69/37/69/1131693769.db2.gz PNFSXXWPXGKECR-QWHCGFSZSA-N 1 2 328.485 3.784 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1[nH]c(-c2ccc3c(c2)CCC3)nc1=S ZINC000742153451 1131693770 /nfs/dbraw/zinc/69/37/70/1131693770.db2.gz PNFSXXWPXGKECR-QWHCGFSZSA-N 1 2 328.485 3.784 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccnc3-c3ccccc3)cc2)C1 ZINC001212665263 1131757543 /nfs/dbraw/zinc/75/75/43/1131757543.db2.gz FPASUJGSFDJWKB-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000742598681 1131758549 /nfs/dbraw/zinc/75/85/49/1131758549.db2.gz FXJVBYUNSLWDQS-XCRHUMRWSA-N 1 2 348.487 3.697 20 0 EHADLO CCCCCC[C@H](CCCC)[N@@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172512041 1131765018 /nfs/dbraw/zinc/76/50/18/1131765018.db2.gz BRNKEFREQSYLDZ-INIZCTEOSA-N 1 2 334.508 3.588 20 0 EHADLO CCCCCC[C@H](CCCC)[N@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172512041 1131765026 /nfs/dbraw/zinc/76/50/26/1131765026.db2.gz BRNKEFREQSYLDZ-INIZCTEOSA-N 1 2 334.508 3.588 20 0 EHADLO Oc1ccc(-c2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2)cc1 ZINC001212669292 1131771444 /nfs/dbraw/zinc/77/14/44/1131771444.db2.gz QAFCPSHITHGGBW-UHFFFAOYSA-N 1 2 346.430 3.979 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572375 1131777607 /nfs/dbraw/zinc/77/76/07/1131777607.db2.gz VVKZBSRCCMHXOU-QFYYESIMSA-N 1 2 349.780 3.526 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572375 1131777608 /nfs/dbraw/zinc/77/76/08/1131777608.db2.gz VVKZBSRCCMHXOU-QFYYESIMSA-N 1 2 349.780 3.526 20 0 EHADLO CC(C)COc1c(F)cccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672576 1131790993 /nfs/dbraw/zinc/79/09/93/1131790993.db2.gz RLWDWOCLAYTTGI-UHFFFAOYSA-N 1 2 344.430 3.781 20 0 EHADLO CCCC[C@H]1C[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642125 1131799014 /nfs/dbraw/zinc/79/90/14/1131799014.db2.gz MJJXQLGPWUTTEK-QKPAOTATSA-N 1 2 346.462 3.937 20 0 EHADLO CC1CCC(=CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000742857229 1131807027 /nfs/dbraw/zinc/80/70/27/1131807027.db2.gz DGENEIKQIVIOGU-CVMIBEPCSA-N 1 2 337.467 3.957 20 0 EHADLO CSCC[C@H]([NH2+][C@H]1CCc2ccc(C)cc2C1)C(=O)OC(C)C ZINC001172830946 1131855494 /nfs/dbraw/zinc/85/54/94/1131855494.db2.gz LLYOAFGESCYZQT-ROUUACIJSA-N 1 2 335.513 3.515 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@H](C)CSc1ccc(Cl)cc1)C(=O)OC ZINC001172875635 1131895447 /nfs/dbraw/zinc/89/54/47/1131895447.db2.gz RCQDXXSAJYISSH-ZOWXZIJZSA-N 1 2 329.893 3.998 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2C)[C@@H]1c1ccccc1 ZINC000743350339 1131896737 /nfs/dbraw/zinc/89/67/37/1131896737.db2.gz YXQLXBAEGYZQRG-DEYYWGMASA-N 1 2 326.465 3.844 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCc3sccc3[C@@H]2C)[C@@H]1c1ccccc1 ZINC000743350339 1131896741 /nfs/dbraw/zinc/89/67/41/1131896741.db2.gz YXQLXBAEGYZQRG-DEYYWGMASA-N 1 2 326.465 3.844 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+](C)C[C@@H](C)c1ccccc1)c2=O ZINC000743361229 1131901913 /nfs/dbraw/zinc/90/19/13/1131901913.db2.gz KTFSWRKXKDQKMR-CQSZACIVSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+](C)C[C@@H](C)c1ccccc1)c2=O ZINC000743361229 1131901921 /nfs/dbraw/zinc/90/19/21/1131901921.db2.gz KTFSWRKXKDQKMR-CQSZACIVSA-N 1 2 341.480 3.768 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1C ZINC000743361459 1131903026 /nfs/dbraw/zinc/90/30/26/1131903026.db2.gz MVSRKYRKHWOKJW-JXFKEZNVSA-N 1 2 338.451 3.613 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1C ZINC000743361459 1131903030 /nfs/dbraw/zinc/90/30/30/1131903030.db2.gz MVSRKYRKHWOKJW-JXFKEZNVSA-N 1 2 338.451 3.613 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371809 1131904682 /nfs/dbraw/zinc/90/46/82/1131904682.db2.gz COATXIRVGSTJEJ-IFXJQAMLSA-N 1 2 339.414 3.520 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371809 1131904689 /nfs/dbraw/zinc/90/46/89/1131904689.db2.gz COATXIRVGSTJEJ-IFXJQAMLSA-N 1 2 339.414 3.520 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000743350714 1131907973 /nfs/dbraw/zinc/90/79/73/1131907973.db2.gz QNUXMKLTJQQZMM-KSSFIOAISA-N 1 2 328.843 3.949 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000743350714 1131907978 /nfs/dbraw/zinc/90/79/78/1131907978.db2.gz QNUXMKLTJQQZMM-KSSFIOAISA-N 1 2 328.843 3.949 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000180976717 1131929009 /nfs/dbraw/zinc/92/90/09/1131929009.db2.gz XYPPNDPQZZALPV-UVFQYZLESA-N 1 2 343.471 3.694 20 0 EHADLO O=C1c2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2CN1C1CC1 ZINC001212699900 1131934392 /nfs/dbraw/zinc/93/43/92/1131934392.db2.gz JFPAGJDNBBSTFF-UHFFFAOYSA-N 1 2 344.418 3.793 20 0 EHADLO CCCCC[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743522743 1131936615 /nfs/dbraw/zinc/93/66/15/1131936615.db2.gz ZZNSKNXTYOAOAC-SJLPKXTDSA-N 1 2 342.487 3.972 20 0 EHADLO CCOC(=O)c1c2c(nn1C)C[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173349884 1132058979 /nfs/dbraw/zinc/05/89/79/1132058979.db2.gz SSJXPGUODUXJSN-HNNXBMFYSA-N 1 2 345.487 3.806 20 0 EHADLO CCOC(=O)c1c2c(nn1C)C[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173349884 1132058984 /nfs/dbraw/zinc/05/89/84/1132058984.db2.gz SSJXPGUODUXJSN-HNNXBMFYSA-N 1 2 345.487 3.806 20 0 EHADLO CCOc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173851654 1132154840 /nfs/dbraw/zinc/15/48/40/1132154840.db2.gz RGRYVSASEHQUIG-KBPBESRZSA-N 1 2 342.443 3.541 20 0 EHADLO COc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc(OC)c1OC ZINC001173905088 1132168421 /nfs/dbraw/zinc/16/84/21/1132168421.db2.gz STYOJLSXKRDUMW-UHFFFAOYSA-N 1 2 333.775 3.757 20 0 EHADLO COc1ccc(F)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001173955338 1132182457 /nfs/dbraw/zinc/18/24/57/1132182457.db2.gz KMMJAXIIUYEXAR-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CCc1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001173969233 1132186815 /nfs/dbraw/zinc/18/68/15/1132186815.db2.gz ASOAINRWHZOAIF-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(C)cc2)no1 ZINC000745081606 1132195125 /nfs/dbraw/zinc/19/51/25/1132195125.db2.gz AEENMDXFBBTXLP-GOSISDBHSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(-c2ccc(C)cc2)no1 ZINC000745081606 1132195129 /nfs/dbraw/zinc/19/51/29/1132195129.db2.gz AEENMDXFBBTXLP-GOSISDBHSA-N 1 2 328.412 3.568 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(OC)c1F ZINC001173971952 1132204125 /nfs/dbraw/zinc/20/41/25/1132204125.db2.gz CFZVWGQIZVKUDK-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO C[C@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182147513 1132211047 /nfs/dbraw/zinc/21/10/47/1132211047.db2.gz OIYYXFMOPBSMCQ-INIZCTEOSA-N 1 2 344.422 3.685 20 0 EHADLO COc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)cc(C)[nH+]1 ZINC001174073656 1132235353 /nfs/dbraw/zinc/23/53/53/1132235353.db2.gz USDZUXIZLVXJTK-UHFFFAOYSA-N 1 2 325.412 3.768 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001174257037 1132303229 /nfs/dbraw/zinc/30/32/29/1132303229.db2.gz BTEQSRVDLFKQCX-UHFFFAOYSA-N 1 2 333.457 3.507 20 0 EHADLO COc1ccc(C2CC[NH+](CC(=O)OCc3ccccc3)CC2)cc1 ZINC000745947263 1132335645 /nfs/dbraw/zinc/33/56/45/1132335645.db2.gz XPBQJWJZZVJMSZ-UHFFFAOYSA-N 1 2 339.435 3.618 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3c(Br)cnn3C)ccc21 ZINC001174381379 1132343661 /nfs/dbraw/zinc/34/36/61/1132343661.db2.gz YHHAZWKNJKEITA-UHFFFAOYSA-N 1 2 334.221 3.857 20 0 EHADLO Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1F ZINC001174432360 1132352650 /nfs/dbraw/zinc/35/26/50/1132352650.db2.gz OMJNCXQRGBYBPH-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174524591 1132401016 /nfs/dbraw/zinc/40/10/16/1132401016.db2.gz OTIGPHVLKAMRHQ-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO COc1ccc(NC(C)=O)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524501 1132401130 /nfs/dbraw/zinc/40/11/30/1132401130.db2.gz MAXDSKWZNAZKOF-UHFFFAOYSA-N 1 2 340.427 3.783 20 0 EHADLO O=C1c2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2CN1C1CC1 ZINC001174524321 1132401656 /nfs/dbraw/zinc/40/16/56/1132401656.db2.gz FWHFUWJMMJJBMW-UHFFFAOYSA-N 1 2 348.450 3.934 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC001174524621 1132401665 /nfs/dbraw/zinc/40/16/65/1132401665.db2.gz PUVNQTQQJMQIFT-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](CC[C@@H]1CC1(Cl)Cl)CC2 ZINC001174593188 1132410458 /nfs/dbraw/zinc/41/04/58/1132410458.db2.gz KDEYYKPWCBZJTB-SNVBAGLBSA-N 1 2 346.229 3.554 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC2 ZINC001174593188 1132410461 /nfs/dbraw/zinc/41/04/61/1132410461.db2.gz KDEYYKPWCBZJTB-SNVBAGLBSA-N 1 2 346.229 3.554 20 0 EHADLO C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1cccc(Cl)c1 ZINC000746319786 1132434866 /nfs/dbraw/zinc/43/48/66/1132434866.db2.gz IEGKFYOGIUNSLL-LBPRGKRZSA-N 1 2 344.833 3.631 20 0 EHADLO C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1cccc(Cl)c1 ZINC000746319786 1132434870 /nfs/dbraw/zinc/43/48/70/1132434870.db2.gz IEGKFYOGIUNSLL-LBPRGKRZSA-N 1 2 344.833 3.631 20 0 EHADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(OCc2ccccc2)c1 ZINC000188693933 1132438033 /nfs/dbraw/zinc/43/80/33/1132438033.db2.gz RCSYDAKOGAPWNT-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(OCc2ccccc2)c1 ZINC000188693933 1132438039 /nfs/dbraw/zinc/43/80/39/1132438039.db2.gz RCSYDAKOGAPWNT-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO c1cncc(-c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)c1 ZINC001174976210 1132509578 /nfs/dbraw/zinc/50/95/78/1132509578.db2.gz NUPWQFVBFUXBOL-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO CCCc1nc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2o1 ZINC001174976177 1132510402 /nfs/dbraw/zinc/51/04/02/1132510402.db2.gz MQYDMINSOBRVKB-UHFFFAOYSA-N 1 2 338.411 3.756 20 0 EHADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc(C)c1O ZINC000766397286 1132529430 /nfs/dbraw/zinc/52/94/30/1132529430.db2.gz ABSCATKOEKXRSL-UHFFFAOYSA-N 1 2 325.416 3.516 20 0 EHADLO Fc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1C(F)(F)F ZINC001174978702 1132532838 /nfs/dbraw/zinc/53/28/38/1132532838.db2.gz ZNIQFABCUGMHIT-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO COc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc2ccccc21 ZINC001174979760 1132534173 /nfs/dbraw/zinc/53/41/73/1132534173.db2.gz GTYFPPBAKKHCKG-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO CC(C)COc1ccc(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979773 1132534530 /nfs/dbraw/zinc/53/45/30/1132534530.db2.gz HDEWVWGMTIVVKK-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO C[C@@H]([NH2+]Cc1ccon1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000766419883 1132539145 /nfs/dbraw/zinc/53/91/45/1132539145.db2.gz GBWVKIIWTODJSG-OAHLLOKOSA-N 1 2 348.406 3.752 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](C)c2cccc(F)c2F)c(N(C)C)[nH+]1 ZINC000766472871 1132551991 /nfs/dbraw/zinc/55/19/91/1132551991.db2.gz WSPXKNIQEIABRB-LLVKDONJSA-N 1 2 334.370 3.617 20 0 EHADLO Fc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1C(F)(F)F ZINC001175074896 1132560323 /nfs/dbraw/zinc/56/03/23/1132560323.db2.gz IRBNFGHVWSVILP-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)Cc2ccccc21 ZINC001168858504 1132581839 /nfs/dbraw/zinc/58/18/39/1132581839.db2.gz CDLAFWSZZQQFPE-LJQANCHMSA-N 1 2 338.426 3.724 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)Cc2ccccc21 ZINC001168858504 1132581846 /nfs/dbraw/zinc/58/18/46/1132581846.db2.gz CDLAFWSZZQQFPE-LJQANCHMSA-N 1 2 338.426 3.724 20 0 EHADLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)ccc1F ZINC001175252139 1132593961 /nfs/dbraw/zinc/59/39/61/1132593961.db2.gz SQHROYVJFXOZMN-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO c1cnn(-c2ccccc2CNc2cccc(Cc3ccncc3)[nH+]2)c1 ZINC001168965753 1132621749 /nfs/dbraw/zinc/62/17/49/1132621749.db2.gz MVKZGZGLLWMNKQ-UHFFFAOYSA-N 1 2 341.418 3.865 20 0 EHADLO CN(C)c1ccc(Nc2ccc3ncc(-c4cnn(C)c4)cc3c2)c[nH+]1 ZINC001175341257 1132626013 /nfs/dbraw/zinc/62/60/13/1132626013.db2.gz FSDLRCNWNLMRJY-UHFFFAOYSA-N 1 2 344.422 3.840 20 0 EHADLO CN(C)c1ccc(Nc2ccc3c(c2Br)C(=O)CC3)c[nH+]1 ZINC001175345416 1132627596 /nfs/dbraw/zinc/62/75/96/1132627596.db2.gz BPWNAAYMJRZNPJ-UHFFFAOYSA-N 1 2 346.228 3.783 20 0 EHADLO CCOC(=O)C(C)(C)Oc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1 ZINC001175344382 1132627669 /nfs/dbraw/zinc/62/76/69/1132627669.db2.gz QRWXQPPSPRQEPG-UHFFFAOYSA-N 1 2 343.427 3.612 20 0 EHADLO Oc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)c1 ZINC001175349371 1132630447 /nfs/dbraw/zinc/63/04/47/1132630447.db2.gz OCTXLUSBLSDCER-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CO[C@@H]1CCOc2c(Nc3ccc(N4CCCC4)[nH+]c3)cccc21 ZINC001175349179 1132642865 /nfs/dbraw/zinc/64/28/65/1132642865.db2.gz LZCXAPAXBQNCOJ-QGZVFWFLSA-N 1 2 325.412 3.895 20 0 EHADLO COc1ncc(C)cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001175337982 1132642953 /nfs/dbraw/zinc/64/29/53/1132642953.db2.gz ZSUMDOSYBPYQAT-UHFFFAOYSA-N 1 2 330.388 3.884 20 0 EHADLO Fc1cccc(Cn2nccc2Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350577 1132645773 /nfs/dbraw/zinc/64/57/73/1132645773.db2.gz WBUGOCOGIWGBGZ-UHFFFAOYSA-N 1 2 337.402 3.809 20 0 EHADLO COc1cc(C(C)=O)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175353192 1132647030 /nfs/dbraw/zinc/64/70/30/1132647030.db2.gz WZGSBCYSSPIQQW-UHFFFAOYSA-N 1 2 329.375 3.776 20 0 EHADLO CC1(C)Cc2c(Nc3ccc(N4CCCC4)[nH+]c3)cccc2NC1=O ZINC001175352677 1132647315 /nfs/dbraw/zinc/64/73/15/1132647315.db2.gz MMSUZFOCEVASGB-UHFFFAOYSA-N 1 2 336.439 3.946 20 0 EHADLO CCOC(=O)CCc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352445 1132647340 /nfs/dbraw/zinc/64/73/40/1132647340.db2.gz JJXDGMMCKHHOAM-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO O=C(NCCC1=CCCCCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000766600799 1132666162 /nfs/dbraw/zinc/66/61/62/1132666162.db2.gz MMKNOPGQWIVYHN-UHFFFAOYSA-N 1 2 338.455 3.952 20 0 EHADLO Cn1ncc2c1cccc2Nc1ccc2[nH+]cc(Br)n2c1 ZINC001175435673 1132669258 /nfs/dbraw/zinc/66/92/58/1132669258.db2.gz GRDZMJBPMHSHHL-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H]1CC2(CO1)CCCCC2 ZINC001169154150 1132679707 /nfs/dbraw/zinc/67/97/07/1132679707.db2.gz VAFPSJQCHUAWKM-CYBMUJFWSA-N 1 2 347.484 3.568 20 0 EHADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H]1CC2(CO1)CCCCC2 ZINC001169154150 1132679711 /nfs/dbraw/zinc/67/97/11/1132679711.db2.gz VAFPSJQCHUAWKM-CYBMUJFWSA-N 1 2 347.484 3.568 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1(C)C ZINC001169159707 1132682084 /nfs/dbraw/zinc/68/20/84/1132682084.db2.gz VXWUIUXVUXDGQD-IEBWSBKVSA-N 1 2 337.467 3.905 20 0 EHADLO Cc1ccc(CCCNc2[nH+]cccc2CC(=O)OC(C)(C)C)cn1 ZINC001169256474 1132711243 /nfs/dbraw/zinc/71/12/43/1132711243.db2.gz OGLNURVAJVODTC-UHFFFAOYSA-N 1 2 341.455 3.714 20 0 EHADLO FC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC001175561431 1132712081 /nfs/dbraw/zinc/71/20/81/1132712081.db2.gz TVOOXEBFNQRJPK-IBGZPJMESA-N 1 2 327.378 3.871 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC001169342568 1132731326 /nfs/dbraw/zinc/73/13/26/1132731326.db2.gz NRYOPPHAJZRNEX-IBGZPJMESA-N 1 2 331.412 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC001169342568 1132731329 /nfs/dbraw/zinc/73/13/29/1132731329.db2.gz NRYOPPHAJZRNEX-IBGZPJMESA-N 1 2 331.412 3.610 20 0 EHADLO COCCNc1cccc(F)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714147 1132741419 /nfs/dbraw/zinc/74/14/19/1132741419.db2.gz PVDJAESLDNZRIA-UHFFFAOYSA-N 1 2 344.312 3.624 20 0 EHADLO CCCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175716007 1132741901 /nfs/dbraw/zinc/74/19/01/1132741901.db2.gz QRQGHIRIRLSHHR-UHFFFAOYSA-N 1 2 339.317 3.993 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c[nH+]1 ZINC001175714514 1132741932 /nfs/dbraw/zinc/74/19/32/1132741932.db2.gz YZBJNCYIFIOGNU-UHFFFAOYSA-N 1 2 348.328 3.544 20 0 EHADLO COc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1Cl ZINC001175894220 1132782926 /nfs/dbraw/zinc/78/29/26/1132782926.db2.gz DXJOROCDAAWCKF-UHFFFAOYSA-N 1 2 332.831 3.924 20 0 EHADLO CCCc1cc(N[C@H]2CCc3ccccc3[C@H]2O)nc(CCC)[nH+]1 ZINC001169620781 1132798788 /nfs/dbraw/zinc/79/87/88/1132798788.db2.gz BZKFJGLEKWBZEK-FXAWDEMLSA-N 1 2 325.456 3.842 20 0 EHADLO Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc(C)c1N ZINC001175931174 1132799877 /nfs/dbraw/zinc/79/98/77/1132799877.db2.gz FIIBJPDIBCZSLT-GASCZTMLSA-N 1 2 326.444 3.638 20 0 EHADLO CCOC(=O)C[C@@H](Nc1ccc([NH+](C)C)c(C)c1)c1cccnc1 ZINC001169679995 1132817719 /nfs/dbraw/zinc/81/77/19/1132817719.db2.gz SHLFKFSWUDOFCX-QGZVFWFLSA-N 1 2 327.428 3.562 20 0 EHADLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1F ZINC001176094294 1132833742 /nfs/dbraw/zinc/83/37/42/1132833742.db2.gz MKWARXAWHVMFCP-UHFFFAOYSA-N 1 2 348.393 3.728 20 0 EHADLO CN(C)C(=O)c1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001176047443 1132835845 /nfs/dbraw/zinc/83/58/45/1132835845.db2.gz MCLFPLVQZNAYCG-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(F)cc1I ZINC001176121547 1132852715 /nfs/dbraw/zinc/85/27/15/1132852715.db2.gz XIQZKJSFLZQJTL-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1Cl)C1CCC(S(C)(=O)=O)CC1 ZINC001169893928 1132887590 /nfs/dbraw/zinc/88/75/90/1132887590.db2.gz JNMLPWNXXJIWLO-UHFFFAOYSA-N 1 2 347.883 3.657 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1Cl)C1CCC(S(C)(=O)=O)CC1 ZINC001169893928 1132887602 /nfs/dbraw/zinc/88/76/02/1132887602.db2.gz JNMLPWNXXJIWLO-UHFFFAOYSA-N 1 2 347.883 3.657 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cncc(C4CC4)c3)c2c1 ZINC001176283248 1132889636 /nfs/dbraw/zinc/88/96/36/1132889636.db2.gz BTOSFGTYTVUIAS-UHFFFAOYSA-N 1 2 333.391 3.849 20 0 EHADLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1O ZINC001176254718 1132895834 /nfs/dbraw/zinc/89/58/34/1132895834.db2.gz RIOYMXKYIDQGHJ-UHFFFAOYSA-N 1 2 331.372 3.886 20 0 EHADLO O=C(Oc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000767125836 1132953220 /nfs/dbraw/zinc/95/32/20/1132953220.db2.gz OKACWBZRNKDQBP-UHFFFAOYSA-N 1 2 348.280 3.990 20 0 EHADLO Cn1c(Cl)nc(Cl)c1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000767290187 1132978199 /nfs/dbraw/zinc/97/81/99/1132978199.db2.gz HBQMWIOBJKFRIB-UHFFFAOYSA-N 1 2 344.633 3.879 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc(-c3ccncc3)cc2)c1 ZINC001176694830 1132984117 /nfs/dbraw/zinc/98/41/17/1132984117.db2.gz VFPRTYMBXZLIMJ-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO COc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)n1 ZINC001176749588 1132991864 /nfs/dbraw/zinc/99/18/64/1132991864.db2.gz HOTFQMMOISOESL-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1ccc(F)c(CN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000767376957 1132991938 /nfs/dbraw/zinc/99/19/38/1132991938.db2.gz BIARBMJSNZVXAT-UHFFFAOYSA-N 1 2 327.407 3.665 20 0 EHADLO Cc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1Br ZINC001176750783 1132992790 /nfs/dbraw/zinc/99/27/90/1132992790.db2.gz WSCCHEZLAGHTKB-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2c(Cl)nc3ccccn32)n1 ZINC000767417481 1132998346 /nfs/dbraw/zinc/99/83/46/1132998346.db2.gz OEXJQTFTLQPGAT-UHFFFAOYSA-N 1 2 344.846 3.850 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001176877453 1133006042 /nfs/dbraw/zinc/00/60/42/1133006042.db2.gz FQHUHOPKPBJBAS-UHFFFAOYSA-N 1 2 349.837 3.547 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccc(Cl)cc1C)C2 ZINC001176872008 1133006105 /nfs/dbraw/zinc/00/61/05/1133006105.db2.gz SZZLZSBRSOHFJD-UHFFFAOYSA-N 1 2 345.826 3.830 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccc(Cl)cc1C)C2 ZINC001176872008 1133006111 /nfs/dbraw/zinc/00/61/11/1133006111.db2.gz SZZLZSBRSOHFJD-UHFFFAOYSA-N 1 2 345.826 3.830 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897221 1133013306 /nfs/dbraw/zinc/01/33/06/1133013306.db2.gz KWLUQUGSKUFNMG-ZIAGYGMSSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897221 1133013313 /nfs/dbraw/zinc/01/33/13/1133013313.db2.gz KWLUQUGSKUFNMG-ZIAGYGMSSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000767682869 1133038450 /nfs/dbraw/zinc/03/84/50/1133038450.db2.gz FTCRTCHUUWXVES-JXQTWKCFSA-N 1 2 345.409 3.783 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(F)c1 ZINC001177190649 1133040954 /nfs/dbraw/zinc/04/09/54/1133040954.db2.gz FSDDKXZOXBXJIP-FQEVSTJZSA-N 1 2 346.409 3.987 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC001177283163 1133052635 /nfs/dbraw/zinc/05/26/35/1133052635.db2.gz TXERSPDGYODVFG-LLVKDONJSA-N 1 2 337.876 3.615 20 0 EHADLO CN(CC(=O)NC1c2ccccc2Oc2ccccc21)c1cccc[nH+]1 ZINC001177417298 1133063447 /nfs/dbraw/zinc/06/34/47/1133063447.db2.gz NPFSTZNZJMJHER-UHFFFAOYSA-N 1 2 345.402 3.529 20 0 EHADLO CCC1(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000780641797 1133066538 /nfs/dbraw/zinc/06/65/38/1133066538.db2.gz QLFCLACWOZHDNV-IBGZPJMESA-N 1 2 345.483 3.791 20 0 EHADLO CCC1(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000780641797 1133066545 /nfs/dbraw/zinc/06/65/45/1133066545.db2.gz QLFCLACWOZHDNV-IBGZPJMESA-N 1 2 345.483 3.791 20 0 EHADLO Fc1ccc(F)c(O[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC001204197686 1133066887 /nfs/dbraw/zinc/06/68/87/1133066887.db2.gz GJOZUOLSANKGBU-ZDUSSCGKSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC001204197686 1133066892 /nfs/dbraw/zinc/06/68/92/1133066892.db2.gz GJOZUOLSANKGBU-ZDUSSCGKSA-N 1 2 325.305 3.896 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177623184 1133087595 /nfs/dbraw/zinc/08/75/95/1133087595.db2.gz XCWHVGKVHDNENC-QGZVFWFLSA-N 1 2 339.370 3.570 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177623184 1133087600 /nfs/dbraw/zinc/08/76/00/1133087600.db2.gz XCWHVGKVHDNENC-QGZVFWFLSA-N 1 2 339.370 3.570 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000768196850 1133111390 /nfs/dbraw/zinc/11/13/90/1133111390.db2.gz UALCCCAZYWUITO-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000768196850 1133111393 /nfs/dbraw/zinc/11/13/93/1133111393.db2.gz UALCCCAZYWUITO-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO c1coc(C[NH+]2CCN(Cc3ccccc3N3CCCCC3)CC2)c1 ZINC000768214405 1133113776 /nfs/dbraw/zinc/11/37/76/1133113776.db2.gz JJYRYLDTMNROSC-UHFFFAOYSA-N 1 2 339.483 3.588 20 0 EHADLO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177928867 1133116218 /nfs/dbraw/zinc/11/62/18/1133116218.db2.gz DLBPYPZVELZJKV-WBVHZDCISA-N 1 2 338.455 3.843 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cscc2Cl)CC1 ZINC000768245795 1133121085 /nfs/dbraw/zinc/12/10/85/1133121085.db2.gz DUIBTBMCEDOHMD-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cscc2Cl)CC1 ZINC000768245795 1133121090 /nfs/dbraw/zinc/12/10/90/1133121090.db2.gz DUIBTBMCEDOHMD-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC[C@@H](CNc1ccc(N2CCC(CO)CC2)c[nH+]1)c1ccccc1 ZINC001178059731 1133128233 /nfs/dbraw/zinc/12/82/33/1133128233.db2.gz HSPLKJHKBMALIM-SFHVURJKSA-N 1 2 339.483 3.896 20 0 EHADLO Cc1cc(NCc2cn(-c3ccc(F)cc3)nn2)ccc1-n1cc[nH+]c1 ZINC001178139332 1133135672 /nfs/dbraw/zinc/13/56/72/1133135672.db2.gz RXBMOISKFVHPOI-UHFFFAOYSA-N 1 2 348.385 3.513 20 0 EHADLO Cc1nn2c(CNc3ccc(-n4cc[nH+]c4)c(C)c3)c(C)nc2s1 ZINC001178139578 1133135689 /nfs/dbraw/zinc/13/56/89/1133135689.db2.gz YYYUKGFFFSRVOI-UHFFFAOYSA-N 1 2 338.440 3.514 20 0 EHADLO Cc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)cnc1Cl ZINC000768531688 1133151041 /nfs/dbraw/zinc/15/10/41/1133151041.db2.gz IKDPKRGOSZJQAQ-AWEZNQCLSA-N 1 2 336.785 3.569 20 0 EHADLO Cn1c(C[NH2+]Cc2ccc(F)c(F)c2F)nc2cccc(Cl)c21 ZINC001178513713 1133175261 /nfs/dbraw/zinc/17/52/61/1133175261.db2.gz AVAGVOPLFQEMLC-UHFFFAOYSA-N 1 2 339.748 3.934 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cnc(C4CC4)s3)c[nH+]2)C[C@H](C)O1 ZINC001178614406 1133185307 /nfs/dbraw/zinc/18/53/07/1133185307.db2.gz MEBJLXZHWZTENN-BETUJISGSA-N 1 2 344.484 3.641 20 0 EHADLO CCc1[nH]c(CNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)c[nH+]1 ZINC001178670175 1133188545 /nfs/dbraw/zinc/18/85/45/1133188545.db2.gz SVFFLEMLZAGEGN-UHFFFAOYSA-N 1 2 325.456 3.834 20 0 EHADLO CCc1[nH]cc(CNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)[nH+]1 ZINC001178670175 1133188549 /nfs/dbraw/zinc/18/85/49/1133188549.db2.gz SVFFLEMLZAGEGN-UHFFFAOYSA-N 1 2 325.456 3.834 20 0 EHADLO CCCn1c[nH+]cc1CNc1cc([C@@H](O)c2ccccn2)ccc1C ZINC001178705646 1133193234 /nfs/dbraw/zinc/19/32/34/1133193234.db2.gz YBTLUKVXJVUEES-HXUWFJFHSA-N 1 2 336.439 3.690 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000768911705 1133202105 /nfs/dbraw/zinc/20/21/05/1133202105.db2.gz SOQXVXLNQVIEMP-LSDHHAIUSA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000768911705 1133202111 /nfs/dbraw/zinc/20/21/11/1133202111.db2.gz SOQXVXLNQVIEMP-LSDHHAIUSA-N 1 2 336.426 3.606 20 0 EHADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1csc(C2CCCCC2)n1 ZINC001178921903 1133212787 /nfs/dbraw/zinc/21/27/87/1133212787.db2.gz DABHXNQAZRAZGS-UHFFFAOYSA-N 1 2 344.484 3.723 20 0 EHADLO COc1cccc2[nH]c(NCc3cc(F)ccc3OC(F)F)[nH+]c21 ZINC001179498159 1133256799 /nfs/dbraw/zinc/25/67/99/1133256799.db2.gz XDPFWOBFUUDMRL-UHFFFAOYSA-N 1 2 337.301 3.924 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)N(C)CCCn3cc[nH+]c3)ccc2c1 ZINC000769306060 1133258041 /nfs/dbraw/zinc/25/80/41/1133258041.db2.gz FGXVEPNWTKNHPM-WEVVVXLNSA-N 1 2 349.434 3.607 20 0 EHADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769401495 1133277297 /nfs/dbraw/zinc/27/72/97/1133277297.db2.gz JVJLBFZUIXMLMF-LJQANCHMSA-N 1 2 345.487 3.555 20 0 EHADLO OCC[N@H+](Cc1occc1Br)[C@H]1CCc2ccccc21 ZINC000769422372 1133281015 /nfs/dbraw/zinc/28/10/15/1133281015.db2.gz AZWWVOFBCVBLAB-HNNXBMFYSA-N 1 2 336.229 3.524 20 0 EHADLO OCC[N@@H+](Cc1occc1Br)[C@H]1CCc2ccccc21 ZINC000769422372 1133281019 /nfs/dbraw/zinc/28/10/19/1133281019.db2.gz AZWWVOFBCVBLAB-HNNXBMFYSA-N 1 2 336.229 3.524 20 0 EHADLO CC(C)c1ccc(CC[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000769452959 1133293713 /nfs/dbraw/zinc/29/37/13/1133293713.db2.gz DUJURAARLMSWPN-GOSISDBHSA-N 1 2 341.455 3.686 20 0 EHADLO CC(C)c1ccc(CC[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000769452959 1133293718 /nfs/dbraw/zinc/29/37/18/1133293718.db2.gz DUJURAARLMSWPN-GOSISDBHSA-N 1 2 341.455 3.686 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccnn1CC(C)C)C2 ZINC001179981443 1133309945 /nfs/dbraw/zinc/30/99/45/1133309945.db2.gz ZQPHRAAYMNWRRO-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccnn1CC(C)C)C2 ZINC001179981443 1133309950 /nfs/dbraw/zinc/30/99/50/1133309950.db2.gz ZQPHRAAYMNWRRO-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO COc1cccc2c(C[N@@H+]3CCNC(=O)[C@H]3c3ccccc3)cccc12 ZINC001179993103 1133311960 /nfs/dbraw/zinc/31/19/60/1133311960.db2.gz GSYCPUHMJRRVBU-OAQYLSRUSA-N 1 2 346.430 3.522 20 0 EHADLO COc1cccc2c(C[N@H+]3CCNC(=O)[C@H]3c3ccccc3)cccc12 ZINC001179993103 1133311962 /nfs/dbraw/zinc/31/19/62/1133311962.db2.gz GSYCPUHMJRRVBU-OAQYLSRUSA-N 1 2 346.430 3.522 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769753692 1133336950 /nfs/dbraw/zinc/33/69/50/1133336950.db2.gz OUIPAHFVYPYQCO-GRNBYLDVSA-N 1 2 343.858 3.883 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2cnc(CCc3ccccc3)s2)CCO1 ZINC001180326606 1133362126 /nfs/dbraw/zinc/36/21/26/1133362126.db2.gz MQYDKCGROMPXHX-SFHVURJKSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2cnc(CCc3ccccc3)s2)CCO1 ZINC001180326606 1133362130 /nfs/dbraw/zinc/36/21/30/1133362130.db2.gz MQYDKCGROMPXHX-SFHVURJKSA-N 1 2 330.497 3.785 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1snc(OC)c1C(=O)OC)Cc1ccccc1 ZINC001180422106 1133373509 /nfs/dbraw/zinc/37/35/09/1133373509.db2.gz DMPKMRQTLSUAGX-CYBMUJFWSA-N 1 2 348.468 3.739 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1snc(OC)c1C(=O)OC)Cc1ccccc1 ZINC001180422106 1133373514 /nfs/dbraw/zinc/37/35/14/1133373514.db2.gz DMPKMRQTLSUAGX-CYBMUJFWSA-N 1 2 348.468 3.739 20 0 EHADLO COc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c2ncccc12 ZINC000770002097 1133376332 /nfs/dbraw/zinc/37/63/32/1133376332.db2.gz JFEZSAHSONPAGO-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO O=C(NC(c1ccccc1)c1ccccc1)c1cccc2[nH+]ccn21 ZINC000770051014 1133382510 /nfs/dbraw/zinc/38/25/10/1133382510.db2.gz BBLIMDJRTSFVEU-UHFFFAOYSA-N 1 2 327.387 3.854 20 0 EHADLO COc1ccccc1NC(=O)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000746501536 1133426992 /nfs/dbraw/zinc/42/69/92/1133426992.db2.gz DBFLBSCLBJGQQX-JLHYYAGUSA-N 1 2 343.254 3.665 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)CCc1ccc(Oc2ccccc2)cc1 ZINC001180929570 1133430382 /nfs/dbraw/zinc/43/03/82/1133430382.db2.gz MGFKQDCJIDYJIM-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO Cc1c[nH]c(CCNC(=O)CCc2ccc(-c3ccccc3)cc2)[nH+]1 ZINC001180943991 1133434169 /nfs/dbraw/zinc/43/41/69/1133434169.db2.gz UXGUGKYIGPAXEI-UHFFFAOYSA-N 1 2 333.435 3.677 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000770611444 1133453624 /nfs/dbraw/zinc/45/36/24/1133453624.db2.gz LYUJICCYWHZOND-UHFFFAOYSA-N 1 2 330.407 3.567 20 0 EHADLO C[C@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000151785302 1133510600 /nfs/dbraw/zinc/51/06/00/1133510600.db2.gz SXRACQUFAUDBMI-AWEZNQCLSA-N 1 2 332.669 3.697 20 0 EHADLO C[C@]1(CO)CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000151785302 1133510605 /nfs/dbraw/zinc/51/06/05/1133510605.db2.gz SXRACQUFAUDBMI-AWEZNQCLSA-N 1 2 332.669 3.697 20 0 EHADLO COc1cc(OC)cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000771198215 1133519248 /nfs/dbraw/zinc/51/92/48/1133519248.db2.gz VARCWWBGZGWTPF-UHFFFAOYSA-N 1 2 348.362 3.607 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)NCc1c[nH+]cn1C1CCC1 ZINC001181877246 1133544880 /nfs/dbraw/zinc/54/48/80/1133544880.db2.gz ANEJEXDWKLDDLT-UHFFFAOYSA-N 1 2 331.847 3.901 20 0 EHADLO CCC(CC)n1ccc(COC(=O)[C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000771365328 1133545889 /nfs/dbraw/zinc/54/58/89/1133545889.db2.gz CPWSGFBPGYYPCB-IBGZPJMESA-N 1 2 343.471 3.980 20 0 EHADLO CCC(CC)n1ccc(COC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000771365328 1133545894 /nfs/dbraw/zinc/54/58/94/1133545894.db2.gz CPWSGFBPGYYPCB-IBGZPJMESA-N 1 2 343.471 3.980 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000771527296 1133570560 /nfs/dbraw/zinc/57/05/60/1133570560.db2.gz YGZYHYNWIMTPGX-KRWDZBQOSA-N 1 2 342.443 3.712 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1O ZINC001182115618 1133574001 /nfs/dbraw/zinc/57/40/01/1133574001.db2.gz NHLBNBZLRGELRP-NWDGAFQWSA-N 1 2 327.266 3.856 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001182148968 1133579323 /nfs/dbraw/zinc/57/93/23/1133579323.db2.gz CPLDEMITQCAXFZ-AYOQOUSVSA-N 1 2 347.503 3.702 20 0 EHADLO CCOC(=O)c1cc(Nc2ccc(C)[nH+]c2C)n(-c2ccccc2)n1 ZINC001203370508 1133591436 /nfs/dbraw/zinc/59/14/36/1133591436.db2.gz MYWBBQDBXRNEEN-UHFFFAOYSA-N 1 2 336.395 3.804 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1ccno1)c1ccccc1Cl ZINC001182224309 1133600070 /nfs/dbraw/zinc/60/00/70/1133600070.db2.gz ZMQOHNDWFMYHDU-WBMJQRKESA-N 1 2 335.835 3.588 20 0 EHADLO Cn1ccnc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242809 1133606668 /nfs/dbraw/zinc/60/66/68/1133606668.db2.gz FIROIMFRHDHNRJ-INIZCTEOSA-N 1 2 346.862 3.629 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000771978316 1133623273 /nfs/dbraw/zinc/62/32/73/1133623273.db2.gz YHADENXJXPQEPE-KGLIPLIRSA-N 1 2 325.195 3.537 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCc4c(C)cccc4C3)nc(N)c2c1C ZINC000772184493 1133649957 /nfs/dbraw/zinc/64/99/57/1133649957.db2.gz UDKHRYFADZRUBD-UHFFFAOYSA-N 1 2 338.480 3.757 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCc4c(C)cccc4C3)nc(N)c2c1C ZINC000772184493 1133649962 /nfs/dbraw/zinc/64/99/62/1133649962.db2.gz UDKHRYFADZRUBD-UHFFFAOYSA-N 1 2 338.480 3.757 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C\c3ccc(Cl)s3)[nH+]c12 ZINC000746539933 1133685315 /nfs/dbraw/zinc/68/53/15/1133685315.db2.gz NQXRGESZSHFSJX-ALCCZGGFSA-N 1 2 345.855 3.730 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(F)(F)F ZINC000772534384 1133695416 /nfs/dbraw/zinc/69/54/16/1133695416.db2.gz YEGSQUBMMLZSQW-RWMBFGLXSA-N 1 2 348.413 3.574 20 0 EHADLO O=C(/C=C\c1cccs1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785609062 1133727272 /nfs/dbraw/zinc/72/72/72/1133727272.db2.gz YFPPPIIPZVIILB-SREVYHEPSA-N 1 2 346.883 3.589 20 0 EHADLO O=C(/C=C\c1cccs1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785609062 1133727275 /nfs/dbraw/zinc/72/72/75/1133727275.db2.gz YFPPPIIPZVIILB-SREVYHEPSA-N 1 2 346.883 3.589 20 0 EHADLO C[C@@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183030934 1133759210 /nfs/dbraw/zinc/75/92/10/1133759210.db2.gz SDOBUJQFZGWCDF-MRXNPFEDSA-N 1 2 348.450 3.940 20 0 EHADLO COC(=O)Cc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC001183085228 1133762560 /nfs/dbraw/zinc/76/25/60/1133762560.db2.gz WZVAYIQKKOPNFY-GOSISDBHSA-N 1 2 347.405 3.758 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000746563247 1133763026 /nfs/dbraw/zinc/76/30/26/1133763026.db2.gz GYXFZGSUXZQYPX-AWEZNQCLSA-N 1 2 346.390 3.547 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCOc4cc(F)ccc4C3)ccc2O1 ZINC001183156629 1133778581 /nfs/dbraw/zinc/77/85/81/1133778581.db2.gz OFLHJGOPMRXUEX-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCOc4cc(F)ccc4C3)ccc2O1 ZINC001183156629 1133778584 /nfs/dbraw/zinc/77/85/84/1133778584.db2.gz OFLHJGOPMRXUEX-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001170054764 1133793768 /nfs/dbraw/zinc/79/37/68/1133793768.db2.gz VTEFORGJIMPYHH-OAHLLOKOSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001170054764 1133793776 /nfs/dbraw/zinc/79/37/76/1133793776.db2.gz VTEFORGJIMPYHH-OAHLLOKOSA-N 1 2 342.842 3.922 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747553 1133852546 /nfs/dbraw/zinc/85/25/46/1133852546.db2.gz KNLGFOZJMHDDMU-HXUWFJFHSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747553 1133852553 /nfs/dbraw/zinc/85/25/53/1133852553.db2.gz KNLGFOZJMHDDMU-HXUWFJFHSA-N 1 2 343.430 3.962 20 0 EHADLO C[C@@H](CC(=O)OCc1cc[nH+]c(N(C)C)c1)c1c[nH]c2ccccc21 ZINC000786489854 1133854501 /nfs/dbraw/zinc/85/45/01/1133854501.db2.gz XRIIQCDAAYHOKK-AWEZNQCLSA-N 1 2 337.423 3.866 20 0 EHADLO CC(C)(CC(=O)NCCOc1cc[nH+]cc1)c1ccccc1Cl ZINC001183893477 1133871359 /nfs/dbraw/zinc/87/13/59/1133871359.db2.gz LUTIPJXXAFKARP-UHFFFAOYSA-N 1 2 332.831 3.598 20 0 EHADLO CC[C@H](C)CCCCC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001273483592 1133885817 /nfs/dbraw/zinc/88/58/17/1133885817.db2.gz KWBLLYZZECSMDJ-AWEZNQCLSA-N 1 2 342.443 3.516 20 0 EHADLO FC(F)(F)c1nc(C[NH+]2CCC(F)(C3CC3)CC2)c2n1CCCC2 ZINC001184125353 1133895746 /nfs/dbraw/zinc/89/57/46/1133895746.db2.gz SCYLQHZBNYNFDX-UHFFFAOYSA-N 1 2 345.384 3.952 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1csc2ccccc21 ZINC000786908739 1133919766 /nfs/dbraw/zinc/91/97/66/1133919766.db2.gz LMMUYEVGFDRTEO-QWHCGFSZSA-N 1 2 325.437 3.538 20 0 EHADLO CC(F)(F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000787000255 1133933066 /nfs/dbraw/zinc/93/30/66/1133933066.db2.gz PSPDQXNNPYLQSH-UHFFFAOYSA-N 1 2 344.405 3.575 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Br)nn2C)cc1 ZINC000787082550 1133948450 /nfs/dbraw/zinc/94/84/50/1133948450.db2.gz WNWZDNNLPKBGCT-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Br)nn2C)cc1 ZINC000787082550 1133948453 /nfs/dbraw/zinc/94/84/53/1133948453.db2.gz WNWZDNNLPKBGCT-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+](C)CCC2CC2)c(=S)o1 ZINC000746638311 1133955319 /nfs/dbraw/zinc/95/53/19/1133955319.db2.gz VKTVKDPVGDJVBT-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+](C)CCC2CC2)c(=S)o1 ZINC000746638311 1133955324 /nfs/dbraw/zinc/95/53/24/1133955324.db2.gz VKTVKDPVGDJVBT-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO Cc1cccc(C[N@H+](CC(C)C)Cn2nc3c(cc2=O)CCCC3)c1 ZINC000746660298 1133965382 /nfs/dbraw/zinc/96/53/82/1133965382.db2.gz GPDAYEXBQHNQKA-UHFFFAOYSA-N 1 2 339.483 3.546 20 0 EHADLO Cc1cccc(C[N@@H+](CC(C)C)Cn2nc3c(cc2=O)CCCC3)c1 ZINC000746660298 1133965387 /nfs/dbraw/zinc/96/53/87/1133965387.db2.gz GPDAYEXBQHNQKA-UHFFFAOYSA-N 1 2 339.483 3.546 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000787217824 1133968967 /nfs/dbraw/zinc/96/89/67/1133968967.db2.gz DYLVBZQTPWOUMD-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787205938 1133975528 /nfs/dbraw/zinc/97/55/28/1133975528.db2.gz OBAJTMQFGOPTOQ-UHFFFAOYSA-N 1 2 332.757 3.509 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787205938 1133975530 /nfs/dbraw/zinc/97/55/30/1133975530.db2.gz OBAJTMQFGOPTOQ-UHFFFAOYSA-N 1 2 332.757 3.509 20 0 EHADLO COC(=O)[C@H]1CCc2cc(Nc3ccc[nH+]c3N3CCCC3)ccc21 ZINC001185041958 1134023585 /nfs/dbraw/zinc/02/35/85/1134023585.db2.gz ABJJVLKZLBFMCB-KRWDZBQOSA-N 1 2 337.423 3.628 20 0 EHADLO Cc1ccccc1C[N@H+](CN1C(=O)CC2(CCCCC2)C1=O)C1CC1 ZINC000746707903 1134038506 /nfs/dbraw/zinc/03/85/06/1134038506.db2.gz ADUYMLJPPBBMEY-UHFFFAOYSA-N 1 2 340.467 3.626 20 0 EHADLO Cc1ccccc1C[N@@H+](CN1C(=O)CC2(CCCCC2)C1=O)C1CC1 ZINC000746707903 1134038511 /nfs/dbraw/zinc/03/85/11/1134038511.db2.gz ADUYMLJPPBBMEY-UHFFFAOYSA-N 1 2 340.467 3.626 20 0 EHADLO Cc1ccc(F)c(NC(=O)N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1 ZINC001185277436 1134061729 /nfs/dbraw/zinc/06/17/29/1134061729.db2.gz ALBBDQXFXDSDQM-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO c1cc2c(c3c1CC[C@H]3CCNc1ccc3c([nH+]1)CCOC3)CCO2 ZINC001170081300 1134074091 /nfs/dbraw/zinc/07/40/91/1134074091.db2.gz CZHRKYBZPXYDLM-HNNXBMFYSA-N 1 2 336.435 3.621 20 0 EHADLO CCN(C)c1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000788511170 1134135195 /nfs/dbraw/zinc/13/51/95/1134135195.db2.gz DFZKNWIUUQYYKU-UHFFFAOYSA-N 1 2 329.391 3.908 20 0 EHADLO CC(=O)N(c1nc(Cn2cc[nH+]c2)cs1)c1ccc(C)cc1C ZINC000788638027 1134154666 /nfs/dbraw/zinc/15/46/66/1134154666.db2.gz FXTOUDMQBWTAFW-UHFFFAOYSA-N 1 2 326.425 3.689 20 0 EHADLO C[C@@H](Sc1nc2ccccc2n2c[nH+]cc12)C(=O)OC(C)(C)C ZINC001186275669 1134192082 /nfs/dbraw/zinc/19/20/82/1134192082.db2.gz PRAHHRBXHOKQJO-LLVKDONJSA-N 1 2 329.425 3.705 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC(F)(F)c1ccccc1 ZINC000788970455 1134198014 /nfs/dbraw/zinc/19/80/14/1134198014.db2.gz TXMBFUYBMNVMHM-UHFFFAOYSA-N 1 2 328.403 3.671 20 0 EHADLO CCc1cc(N2CCc3c(ncn3-c3ccc(C)cc3)C2)nc(CC)[nH+]1 ZINC001186334423 1134204206 /nfs/dbraw/zinc/20/42/06/1134204206.db2.gz CYVFCNJYVMNZLH-UHFFFAOYSA-N 1 2 347.466 3.658 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)cc1F ZINC001186375865 1134210693 /nfs/dbraw/zinc/21/06/93/1134210693.db2.gz CJGKOSBWSGOJGS-UHFFFAOYSA-N 1 2 327.334 3.770 20 0 EHADLO Cc1nc(N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC001186571163 1134233484 /nfs/dbraw/zinc/23/34/84/1134233484.db2.gz DZJLSIYGFALHMB-INIZCTEOSA-N 1 2 343.393 3.600 20 0 EHADLO CSc1ccccc1NC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001186754257 1134251915 /nfs/dbraw/zinc/25/19/15/1134251915.db2.gz VPXDCJLAPRSABV-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO CC(C)(C)OCCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001186952141 1134277337 /nfs/dbraw/zinc/27/73/37/1134277337.db2.gz IKXCOJYAZWGFCA-UHFFFAOYSA-N 1 2 343.406 3.572 20 0 EHADLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170109731 1134292569 /nfs/dbraw/zinc/29/25/69/1134292569.db2.gz SAJPFQAHMPPQKT-ZVZYQTTQSA-N 1 2 333.472 3.726 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(Cl)nc3)ccc21 ZINC001273537661 1134316061 /nfs/dbraw/zinc/31/60/61/1134316061.db2.gz XWLZARZLNKODMD-UHFFFAOYSA-N 1 2 326.787 3.602 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)c4cccn43)c2)[nH+]c1C ZINC000789905185 1134348693 /nfs/dbraw/zinc/34/86/93/1134348693.db2.gz JNLKECJVMFNRDA-KRWDZBQOSA-N 1 2 348.406 3.651 20 0 EHADLO Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(F)c1Cl ZINC000789960661 1134352519 /nfs/dbraw/zinc/35/25/19/1134352519.db2.gz DUHGYTYJWGXGTA-UHFFFAOYSA-N 1 2 348.796 3.589 20 0 EHADLO Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(F)c1Cl ZINC000789960661 1134352525 /nfs/dbraw/zinc/35/25/25/1134352525.db2.gz DUHGYTYJWGXGTA-UHFFFAOYSA-N 1 2 348.796 3.589 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3nccc4occc43)ccc21 ZINC001273544469 1134362107 /nfs/dbraw/zinc/36/21/07/1134362107.db2.gz SGIUPBOSWLGLKW-UHFFFAOYSA-N 1 2 332.363 3.694 20 0 EHADLO C/C(=C/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000790158393 1134376704 /nfs/dbraw/zinc/37/67/04/1134376704.db2.gz RRHHJGVQLIBSDL-SQFISAMPSA-N 1 2 329.488 3.918 20 0 EHADLO CCOc1cc(Nc2ccc(F)c(C(=O)N3CCCC3)c2)cc(C)[nH+]1 ZINC001187854798 1134390409 /nfs/dbraw/zinc/39/04/09/1134390409.db2.gz DHYSBHPAFBRULP-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=S)Nc1ccsc1)c1ccccc1 ZINC000790319759 1134395462 /nfs/dbraw/zinc/39/54/62/1134395462.db2.gz IUQXPCSCWHRJOM-OAHLLOKOSA-N 1 2 342.493 3.752 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000790479332 1134423683 /nfs/dbraw/zinc/42/36/83/1134423683.db2.gz SZBSBERXVGHJOG-NPQIQWPPSA-N 1 2 346.525 3.896 20 0 EHADLO C[C@H]1CCSCC[N@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000790479332 1134423685 /nfs/dbraw/zinc/42/36/85/1134423685.db2.gz SZBSBERXVGHJOG-NPQIQWPPSA-N 1 2 346.525 3.896 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001188478312 1134471100 /nfs/dbraw/zinc/47/11/00/1134471100.db2.gz SCUVQTGEFLZSNG-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2cncnc2)cc1 ZINC001188516515 1134471135 /nfs/dbraw/zinc/47/11/35/1134471135.db2.gz YWQHDWSQVACAPS-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnnn1C1CC1 ZINC000791009333 1134493243 /nfs/dbraw/zinc/49/32/43/1134493243.db2.gz OXGKRDSRLUCTFL-MRVPVSSYSA-N 1 2 345.756 3.531 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000791332574 1134532720 /nfs/dbraw/zinc/53/27/20/1134532720.db2.gz GATBARRZUUCZQH-UHFFFAOYSA-N 1 2 348.362 3.521 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(Cl)n1 ZINC000791364197 1134540937 /nfs/dbraw/zinc/54/09/37/1134540937.db2.gz QHRLOYNVRVYVIS-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO Cc1cncc(/C=C\C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791414532 1134548464 /nfs/dbraw/zinc/54/84/64/1134548464.db2.gz JFAMZBNZUGGEPY-UTCJRWHESA-N 1 2 333.391 3.641 20 0 EHADLO CCc1ncsc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791416377 1134548644 /nfs/dbraw/zinc/54/86/44/1134548644.db2.gz NAKKMGLPWRVYEY-UHFFFAOYSA-N 1 2 327.409 3.557 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1cccc(Cl)c1Cl ZINC001189218857 1134559451 /nfs/dbraw/zinc/55/94/51/1134559451.db2.gz ILALZFQWUWSFRI-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO Cc1sccc1CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791459877 1134559646 /nfs/dbraw/zinc/55/96/46/1134559646.db2.gz VNMIQKXEVZKQSO-UHFFFAOYSA-N 1 2 326.421 3.837 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000791462698 1134560700 /nfs/dbraw/zinc/56/07/00/1134560700.db2.gz MLUIUJQSPJAMQE-LJQANCHMSA-N 1 2 346.386 3.594 20 0 EHADLO Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791509940 1134563324 /nfs/dbraw/zinc/56/33/24/1134563324.db2.gz CBSPBUOQIUDESD-UHFFFAOYSA-N 1 2 343.770 3.638 20 0 EHADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000791567107 1134575240 /nfs/dbraw/zinc/57/52/40/1134575240.db2.gz RZEIJMZVIMNZTR-YUMQZZPRSA-N 1 2 328.235 3.543 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791900717 1134623719 /nfs/dbraw/zinc/62/37/19/1134623719.db2.gz WBJJHMULAQJMMY-INIZCTEOSA-N 1 2 328.412 3.688 20 0 EHADLO Cc1ccc([C@H](NC(=O)c2cccc3[nH+]ccn32)c2ccccn2)cc1 ZINC000791948511 1134630909 /nfs/dbraw/zinc/63/09/09/1134630909.db2.gz XSRLRGHBAWSSTL-FQEVSTJZSA-N 1 2 342.402 3.557 20 0 EHADLO Cc1cc(=O)oc2cc(OCCn3c[nH+]c(C(C)(C)C)c3)ccc12 ZINC001189875507 1134632654 /nfs/dbraw/zinc/63/26/54/1134632654.db2.gz BCCDCRLTRHQBJM-UHFFFAOYSA-N 1 2 326.396 3.674 20 0 EHADLO O=C(Nc1ccc2[nH]nc(Cl)c2c1)c1ccccc1-n1cc[nH+]c1 ZINC001190095893 1134655315 /nfs/dbraw/zinc/65/53/15/1134655315.db2.gz CYYAPFRNNBOVNK-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO CCNc1ccnc(Cl)c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075360 1134658078 /nfs/dbraw/zinc/65/80/78/1134658078.db2.gz QHVKIZNEUYXHEM-UHFFFAOYSA-N 1 2 341.802 3.605 20 0 EHADLO Cc1n[nH]c(C)c1-c1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001190157025 1134664564 /nfs/dbraw/zinc/66/45/64/1134664564.db2.gz MJGBLKPFNIPMIF-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccc3oc4ccccc4c3c2)C[C@@H](C)S1=O ZINC000792389604 1134683666 /nfs/dbraw/zinc/68/36/66/1134683666.db2.gz USVRYQMLUQXONZ-ZIAGYGMSSA-N 1 2 327.449 3.927 20 0 EHADLO CCC[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@H](CC)C(=O)OCC ZINC000792377493 1134685240 /nfs/dbraw/zinc/68/52/40/1134685240.db2.gz UYDKGWNYFQCWGQ-GFCCVEGCSA-N 1 2 333.259 3.942 20 0 EHADLO CCC[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@H](CC)C(=O)OCC ZINC000792377493 1134685242 /nfs/dbraw/zinc/68/52/42/1134685242.db2.gz UYDKGWNYFQCWGQ-GFCCVEGCSA-N 1 2 333.259 3.942 20 0 EHADLO COC(=O)c1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1O ZINC001203719526 1134692473 /nfs/dbraw/zinc/69/24/73/1134692473.db2.gz OIMCWYQGCYRJIP-UHFFFAOYSA-N 1 2 326.396 3.913 20 0 EHADLO CCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CCC1 ZINC000157420286 1134715950 /nfs/dbraw/zinc/71/59/50/1134715950.db2.gz XIBXXOOBZPTVJB-GOSISDBHSA-N 1 2 329.488 3.523 20 0 EHADLO CCCC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CCC1 ZINC000157420286 1134715953 /nfs/dbraw/zinc/71/59/53/1134715953.db2.gz XIBXXOOBZPTVJB-GOSISDBHSA-N 1 2 329.488 3.523 20 0 EHADLO CCC[N@H+](CC[S@](=O)C(F)(F)F)Cc1c(F)cccc1Cl ZINC001190627116 1134728794 /nfs/dbraw/zinc/72/87/94/1134728794.db2.gz FGEAFBKYMJQROK-NRFANRHFSA-N 1 2 345.789 3.960 20 0 EHADLO CCC[N@@H+](CC[S@](=O)C(F)(F)F)Cc1c(F)cccc1Cl ZINC001190627116 1134728798 /nfs/dbraw/zinc/72/87/98/1134728798.db2.gz FGEAFBKYMJQROK-NRFANRHFSA-N 1 2 345.789 3.960 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1ccc(Cl)cn1 ZINC000792703989 1134782830 /nfs/dbraw/zinc/78/28/30/1134782830.db2.gz ICEWUXVFDYDOBA-UHFFFAOYSA-N 1 2 341.798 3.515 20 0 EHADLO O=C([C@@H](F)CC1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000792839798 1134805362 /nfs/dbraw/zinc/80/53/62/1134805362.db2.gz OTAMMVNQWSSAQT-KRWDZBQOSA-N 1 2 338.492 3.701 20 0 EHADLO C[C@H]1C[N@H+](CCCSCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001191216012 1134819095 /nfs/dbraw/zinc/81/90/95/1134819095.db2.gz XLJGDRCKXQASGB-DZGCQCFKSA-N 1 2 333.419 3.962 20 0 EHADLO C[C@H]1C[N@@H+](CCCSCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001191216012 1134819103 /nfs/dbraw/zinc/81/91/03/1134819103.db2.gz XLJGDRCKXQASGB-DZGCQCFKSA-N 1 2 333.419 3.962 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(F)(F)Cc1ccccc1 ZINC000793097197 1134854126 /nfs/dbraw/zinc/85/41/26/1134854126.db2.gz FPUHGHXXPZFAAI-UHFFFAOYSA-N 1 2 327.334 3.689 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)cc1Cl ZINC000793166874 1134859135 /nfs/dbraw/zinc/85/91/35/1134859135.db2.gz JGMANUGEKUREGB-MRXNPFEDSA-N 1 2 333.863 3.998 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000793167903 1134860282 /nfs/dbraw/zinc/86/02/82/1134860282.db2.gz NHFHCROZIXYZLT-HNNXBMFYSA-N 1 2 346.862 3.654 20 0 EHADLO O=S(=O)(CC1CCCC1)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001191522417 1134879451 /nfs/dbraw/zinc/87/94/51/1134879451.db2.gz DJPDBJAYAVDNDT-UHFFFAOYSA-N 1 2 336.501 3.999 20 0 EHADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)c(C)n1C1CCCCC1 ZINC000793249727 1134888641 /nfs/dbraw/zinc/88/86/41/1134888641.db2.gz BFIHOQLNFSGOTP-UHFFFAOYSA-N 1 2 329.444 3.743 20 0 EHADLO Cc1ccccc1C1(C(=O)OCCc2c[nH+]cn2C)CCCCC1 ZINC000793252943 1134889278 /nfs/dbraw/zinc/88/92/78/1134889278.db2.gz MGIBOSGRFTXIHJ-UHFFFAOYSA-N 1 2 326.440 3.716 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1CCc1ccccc1 ZINC000793258221 1134891102 /nfs/dbraw/zinc/89/11/02/1134891102.db2.gz LBMFVGKTGITHAP-UHFFFAOYSA-N 1 2 334.419 3.605 20 0 EHADLO Cc1cc(C[N@H+](CCO)Cc2cccnc2Cl)c2ccccc2n1 ZINC000793364071 1134910158 /nfs/dbraw/zinc/91/01/58/1134910158.db2.gz LIEFODLQPCLHCN-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO Cc1cc(C[N@@H+](CCO)Cc2cccnc2Cl)c2ccccc2n1 ZINC000793364071 1134910166 /nfs/dbraw/zinc/91/01/66/1134910166.db2.gz LIEFODLQPCLHCN-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO OCC[N@H+](C/C=C/c1ccc(Cl)cc1)Cc1cccnc1Cl ZINC000793364352 1134912236 /nfs/dbraw/zinc/91/22/36/1134912236.db2.gz PGOIKFPMUYKHPT-NSCUHMNNSA-N 1 2 337.250 3.896 20 0 EHADLO OCC[N@@H+](C/C=C/c1ccc(Cl)cc1)Cc1cccnc1Cl ZINC000793364352 1134912244 /nfs/dbraw/zinc/91/22/44/1134912244.db2.gz PGOIKFPMUYKHPT-NSCUHMNNSA-N 1 2 337.250 3.896 20 0 EHADLO CC1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000793390093 1134921620 /nfs/dbraw/zinc/92/16/20/1134921620.db2.gz GCLJSRLURHGFQL-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001151976409 1134930302 /nfs/dbraw/zinc/93/03/02/1134930302.db2.gz NGRLQVRIDOOFBI-UHFFFAOYSA-N 1 2 325.799 3.678 20 0 EHADLO CCN(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1C[NH+](C)C1 ZINC001192034533 1134958036 /nfs/dbraw/zinc/95/80/36/1134958036.db2.gz SDAIUUOUSNYBBL-UHFFFAOYSA-N 1 2 336.650 3.815 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001192007601 1134955490 /nfs/dbraw/zinc/95/54/90/1134955490.db2.gz LFNLSRGTHSOALA-UHFFFAOYSA-N 1 2 333.606 3.702 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1Cl ZINC000793558395 1134957477 /nfs/dbraw/zinc/95/74/77/1134957477.db2.gz SKYWCRZSXNTNAQ-RYUDHWBXSA-N 1 2 349.866 3.860 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC001192215176 1134985891 /nfs/dbraw/zinc/98/58/91/1134985891.db2.gz HDFHZZOPLROJKQ-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO Cc1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)c(N(C)C)[nH+]1 ZINC000793733490 1134986672 /nfs/dbraw/zinc/98/66/72/1134986672.db2.gz XVMWJOHVIHHTRL-UHFFFAOYSA-N 1 2 330.819 3.634 20 0 EHADLO O=C(C[C@H]1CCCOC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000793974356 1135009324 /nfs/dbraw/zinc/00/93/24/1135009324.db2.gz ZEQAYBGHTJHVFU-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000747175378 1135018868 /nfs/dbraw/zinc/01/88/68/1135018868.db2.gz ZYOJWBDDKLELHC-VQHVLOKHSA-N 1 2 341.411 3.915 20 0 EHADLO CCCc1cc(NC2CCN(CC(F)(F)F)CC2)nc(CCC)[nH+]1 ZINC001170444729 1135031058 /nfs/dbraw/zinc/03/10/58/1135031058.db2.gz HXYIWACQYVUTPS-UHFFFAOYSA-N 1 2 344.425 3.820 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1OC(F)F ZINC001192744884 1135049534 /nfs/dbraw/zinc/04/95/34/1135049534.db2.gz JNBSFPMEEXBGCC-LLVKDONJSA-N 1 2 345.349 3.788 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1noc(Cc2ccccc2)n1 ZINC001193154337 1135110250 /nfs/dbraw/zinc/11/02/50/1135110250.db2.gz LDTPABIAFVWMPN-HOCLYGCPSA-N 1 2 329.444 3.516 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)cc1F)c1cccc(O)c1 ZINC001193346380 1135127612 /nfs/dbraw/zinc/12/76/12/1135127612.db2.gz RMJZNAHJSDJYKV-SECBINFHSA-N 1 2 325.181 3.540 20 0 EHADLO COC(=O)/C(C)=C/C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC001193374462 1135132716 /nfs/dbraw/zinc/13/27/16/1135132716.db2.gz UBXWFWSXIROCDH-UXBLZVDNSA-N 1 2 346.652 3.654 20 0 EHADLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC001193374462 1135132722 /nfs/dbraw/zinc/13/27/22/1135132722.db2.gz UBXWFWSXIROCDH-UXBLZVDNSA-N 1 2 346.652 3.654 20 0 EHADLO CCCCNc1cc(N[C@H]2CCCc3cn(C(C)C)nc32)nc(N)[nH+]1 ZINC000804605197 1135136245 /nfs/dbraw/zinc/13/62/45/1135136245.db2.gz NQHPANHKISYVIR-AWEZNQCLSA-N 1 2 343.479 3.538 20 0 EHADLO CCCCNc1cc(N[C@H]2CCCc3cn(C(C)C)nc32)[nH+]c(N)n1 ZINC000804605197 1135136247 /nfs/dbraw/zinc/13/62/47/1135136247.db2.gz NQHPANHKISYVIR-AWEZNQCLSA-N 1 2 343.479 3.538 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(Cl)cn1 ZINC000804763529 1135190917 /nfs/dbraw/zinc/19/09/17/1135190917.db2.gz KLJDARCTNJSBOS-SNVBAGLBSA-N 1 2 330.823 3.803 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001194123392 1135229423 /nfs/dbraw/zinc/22/94/23/1135229423.db2.gz GOWFXDXJHVTMTF-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001194123392 1135229428 /nfs/dbraw/zinc/22/94/28/1135229428.db2.gz GOWFXDXJHVTMTF-OAHLLOKOSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)COC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC001194232858 1135240383 /nfs/dbraw/zinc/24/03/83/1135240383.db2.gz YFGTUMJLXIIYON-SFHVURJKSA-N 1 2 325.399 3.748 20 0 EHADLO Cc1c2ccccc2sc1C(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805614328 1135297561 /nfs/dbraw/zinc/29/75/61/1135297561.db2.gz FXMFYZVTGUXNHU-UHFFFAOYSA-N 1 2 345.464 3.810 20 0 EHADLO Cc1cc(=O)[nH]c(C[N@H+]2CCc3ccc(-c4ccccc4)cc3C2)n1 ZINC001194746428 1135308568 /nfs/dbraw/zinc/30/85/68/1135308568.db2.gz URRWMNGUOXLWHR-UHFFFAOYSA-N 1 2 331.419 3.716 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(-c2ccc(F)cc2)cn1 ZINC001194750987 1135309644 /nfs/dbraw/zinc/30/96/44/1135309644.db2.gz JLLCAEVBTLYMEG-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805792829 1135328595 /nfs/dbraw/zinc/32/85/95/1135328595.db2.gz HOLZKVUUEAXDIT-HUUCEWRRSA-N 1 2 333.863 3.751 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805792829 1135328601 /nfs/dbraw/zinc/32/86/01/1135328601.db2.gz HOLZKVUUEAXDIT-HUUCEWRRSA-N 1 2 333.863 3.751 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000805825691 1135336643 /nfs/dbraw/zinc/33/66/43/1135336643.db2.gz CDZRJBGNGQTXNZ-MRXNPFEDSA-N 1 2 345.468 3.521 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000805825691 1135336645 /nfs/dbraw/zinc/33/66/45/1135336645.db2.gz CDZRJBGNGQTXNZ-MRXNPFEDSA-N 1 2 345.468 3.521 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cc1Cl ZINC001203802652 1135344978 /nfs/dbraw/zinc/34/49/78/1135344978.db2.gz RKFOSNVYKJDALJ-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO O=C(OCc1cnc2c(F)cccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000806086860 1135383520 /nfs/dbraw/zinc/38/35/20/1135383520.db2.gz AAXONNADZVQWKG-UHFFFAOYSA-N 1 2 347.349 3.917 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000806179591 1135411400 /nfs/dbraw/zinc/41/14/00/1135411400.db2.gz FOWCMYPYYFELQA-CXAGYDPISA-N 1 2 335.398 3.778 20 0 EHADLO CCCC1CCC(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000775672615 1135477564 /nfs/dbraw/zinc/47/75/64/1135477564.db2.gz LPCKKGJTXLVYBB-VMBOVVBDSA-N 1 2 333.476 3.927 20 0 EHADLO CCCC1CCC(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000775672615 1135477569 /nfs/dbraw/zinc/47/75/69/1135477569.db2.gz LPCKKGJTXLVYBB-VMBOVVBDSA-N 1 2 333.476 3.927 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1cc(C)ccc1C)CC2 ZINC001196149795 1135522165 /nfs/dbraw/zinc/52/21/65/1135522165.db2.gz IGPDXWWCOABJOI-UHFFFAOYSA-N 1 2 327.399 3.787 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC001196149795 1135522169 /nfs/dbraw/zinc/52/21/69/1135522169.db2.gz IGPDXWWCOABJOI-UHFFFAOYSA-N 1 2 327.399 3.787 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)Nc1ccc(F)c(F)c1 ZINC001196238430 1135539019 /nfs/dbraw/zinc/53/90/19/1135539019.db2.gz SBLILBVNLGJVMD-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)Nc1ccc(F)c(F)c1 ZINC001196238430 1135539025 /nfs/dbraw/zinc/53/90/25/1135539025.db2.gz SBLILBVNLGJVMD-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO CC(=O)c1ccc(NC(=S)Nc2cccn3c(C)c(C)[nH+]c23)cc1 ZINC001196530542 1135574303 /nfs/dbraw/zinc/57/43/03/1135574303.db2.gz DUJLQASUEAZLLW-UHFFFAOYSA-N 1 2 338.436 3.963 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1F ZINC001196563061 1135576750 /nfs/dbraw/zinc/57/67/50/1135576750.db2.gz IUSRJBRUDNPTED-LJQANCHMSA-N 1 2 349.833 3.786 20 0 EHADLO CCc1cc(NC(=S)Nc2ccc(Br)cc2)cc[nH+]1 ZINC001196601672 1135582779 /nfs/dbraw/zinc/58/27/79/1135582779.db2.gz RAQOHTAJWRMPCH-UHFFFAOYSA-N 1 2 336.258 3.637 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433401 1135625474 /nfs/dbraw/zinc/62/54/74/1135625474.db2.gz QOVSZJGBIUIXGO-CRAIPNDOSA-N 1 2 330.472 3.842 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433401 1135625477 /nfs/dbraw/zinc/62/54/77/1135625477.db2.gz QOVSZJGBIUIXGO-CRAIPNDOSA-N 1 2 330.472 3.842 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2Cc3ccccc3[C@@H]2C)c1=S ZINC000747464220 1135628045 /nfs/dbraw/zinc/62/80/45/1135628045.db2.gz UZICCDQDGDRYMZ-HNNXBMFYSA-N 1 2 331.485 3.817 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2Cc3ccccc3[C@@H]2C)c1=S ZINC000747464220 1135628048 /nfs/dbraw/zinc/62/80/48/1135628048.db2.gz UZICCDQDGDRYMZ-HNNXBMFYSA-N 1 2 331.485 3.817 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3=CCCCC3)n2)C1 ZINC001196994314 1135638631 /nfs/dbraw/zinc/63/86/31/1135638631.db2.gz DABFCTLLQLLBHU-AWEZNQCLSA-N 1 2 348.516 3.997 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3=CCCCC3)n2)C1 ZINC001196994314 1135638635 /nfs/dbraw/zinc/63/86/35/1135638635.db2.gz DABFCTLLQLLBHU-AWEZNQCLSA-N 1 2 348.516 3.997 20 0 EHADLO COc1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)ccc1OC(F)F ZINC001131261510 1135652566 /nfs/dbraw/zinc/65/25/66/1135652566.db2.gz JOHPSGXOSXJSJK-UHFFFAOYSA-N 1 2 347.321 3.505 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197422241 1135690952 /nfs/dbraw/zinc/69/09/52/1135690952.db2.gz CXDOGUZHKVZKNI-UHFFFAOYSA-N 1 2 346.353 3.507 20 0 EHADLO Fc1cccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC001197667335 1135718708 /nfs/dbraw/zinc/71/87/08/1135718708.db2.gz HNQNWQWDZAXGPZ-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529792 1135741333 /nfs/dbraw/zinc/74/13/33/1135741333.db2.gz BEZWQOHJMKIWBN-ACJLOTCBSA-N 1 2 340.423 3.712 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529792 1135741337 /nfs/dbraw/zinc/74/13/37/1135741337.db2.gz BEZWQOHJMKIWBN-ACJLOTCBSA-N 1 2 340.423 3.712 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C2CCC2)n1 ZINC001197873171 1135744857 /nfs/dbraw/zinc/74/48/57/1135744857.db2.gz NDEBGTKSOLBXMF-UHFFFAOYSA-N 1 2 332.407 3.846 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640867 1135841775 /nfs/dbraw/zinc/84/17/75/1135841775.db2.gz JEPQFPNQCHOTSY-KBPBESRZSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640867 1135841780 /nfs/dbraw/zinc/84/17/80/1135841780.db2.gz JEPQFPNQCHOTSY-KBPBESRZSA-N 1 2 332.435 3.753 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000809580949 1135853409 /nfs/dbraw/zinc/85/34/09/1135853409.db2.gz QZXUMTJWNNSGLT-UHFFFAOYSA-N 1 2 348.443 3.707 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cccc2ccn(C)c21 ZINC001199007963 1135874085 /nfs/dbraw/zinc/87/40/85/1135874085.db2.gz MBANXSYVDLSLSK-UHFFFAOYSA-N 1 2 344.418 3.636 20 0 EHADLO CCOc1c(Cl)cccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001199067773 1135877222 /nfs/dbraw/zinc/87/72/22/1135877222.db2.gz OUFUDZMZCZPWFQ-CYBMUJFWSA-N 1 2 348.834 3.804 20 0 EHADLO O=C1C[C@H](C2CCCC2)CN1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000842603246 1135878077 /nfs/dbraw/zinc/87/80/77/1135878077.db2.gz DWKFCTGVHWHALA-HNNXBMFYSA-N 1 2 332.410 3.647 20 0 EHADLO CCCCC[C@H](C)CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001131919183 1135899975 /nfs/dbraw/zinc/89/99/75/1135899975.db2.gz GWPCEVNKXIMCQO-INIZCTEOSA-N 1 2 349.544 3.858 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1[C@@H]1CCCO1 ZINC000810029270 1135914955 /nfs/dbraw/zinc/91/49/55/1135914955.db2.gz DDLOQSVMQMHAMY-ICSRJNTNSA-N 1 2 338.451 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1[C@@H]1CCCO1 ZINC000810029270 1135914957 /nfs/dbraw/zinc/91/49/57/1135914957.db2.gz DDLOQSVMQMHAMY-ICSRJNTNSA-N 1 2 338.451 3.668 20 0 EHADLO C[NH+](C)c1ccc(NCc2cn3ccc(Br)cc3n2)cc1 ZINC000810147973 1135931214 /nfs/dbraw/zinc/93/12/14/1135931214.db2.gz BOWPIVVXRJFAHX-UHFFFAOYSA-N 1 2 345.244 3.775 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC001137963318 1135936795 /nfs/dbraw/zinc/93/67/95/1135936795.db2.gz BZKJIABBOWFKJW-JSGCOSHPSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC001137963318 1135936797 /nfs/dbraw/zinc/93/67/97/1135936797.db2.gz BZKJIABBOWFKJW-JSGCOSHPSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccco1 ZINC001199972226 1135942141 /nfs/dbraw/zinc/94/21/41/1135942141.db2.gz OBXDWVQPVDZKFI-SFHVURJKSA-N 1 2 340.427 3.568 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000776085233 1135951241 /nfs/dbraw/zinc/95/12/41/1135951241.db2.gz IIJLEBOVPRTIJN-SWLSCSKDSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@@H]2CCC[C@H](c3ccccc3)O2)C2CC2)no1 ZINC001170603505 1135955295 /nfs/dbraw/zinc/95/52/95/1135955295.db2.gz AOCYDFHFNYKTBB-NLWGTHIKSA-N 1 2 341.455 3.903 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@H]1CCc2ccccc21 ZINC000810550526 1135976119 /nfs/dbraw/zinc/97/61/19/1135976119.db2.gz ZBNMYEBKUQAVFO-FQEVSTJZSA-N 1 2 332.403 3.705 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC1CCCCCC1 ZINC000810664004 1135990993 /nfs/dbraw/zinc/99/09/93/1135990993.db2.gz LTTMNTIZDKLQLJ-UHFFFAOYSA-N 1 2 326.440 3.988 20 0 EHADLO COCc1c(Br)cccc1NCc1cccc2[nH+]ccn21 ZINC001201289499 1136001016 /nfs/dbraw/zinc/00/10/16/1136001016.db2.gz YEFKUXJSHCWHOZ-UHFFFAOYSA-N 1 2 346.228 3.855 20 0 EHADLO Nc1ccc(Nc2cc(Br)c(C(F)(F)F)cc2O)c[nH+]1 ZINC001201294515 1136003636 /nfs/dbraw/zinc/00/36/36/1136003636.db2.gz CKQRSIVCAGKPFZ-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO FC(F)c1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cn1 ZINC001201299990 1136004680 /nfs/dbraw/zinc/00/46/80/1136004680.db2.gz ZWOCFEZRDHNWFU-UHFFFAOYSA-N 1 2 344.365 3.907 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cc(OC)ccc2OCOC)c1 ZINC000121585158 1136025596 /nfs/dbraw/zinc/02/55/96/1136025596.db2.gz FLNRDDNPRXTCFZ-UHFFFAOYSA-N 1 2 348.468 3.938 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001132621728 1136046926 /nfs/dbraw/zinc/04/69/26/1136046926.db2.gz IUYOTGMKZPFEDY-LIRRHRJNSA-N 1 2 342.870 3.822 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001132621728 1136046928 /nfs/dbraw/zinc/04/69/28/1136046928.db2.gz IUYOTGMKZPFEDY-LIRRHRJNSA-N 1 2 342.870 3.822 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001132624648 1136047185 /nfs/dbraw/zinc/04/71/85/1136047185.db2.gz XIESXKLCYHRMSC-LJQANCHMSA-N 1 2 338.426 3.550 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001132624648 1136047187 /nfs/dbraw/zinc/04/71/87/1136047187.db2.gz XIESXKLCYHRMSC-LJQANCHMSA-N 1 2 338.426 3.550 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000747681194 1136053475 /nfs/dbraw/zinc/05/34/75/1136053475.db2.gz IZIXHAUWOLPYIO-WFASDCNBSA-N 1 2 343.298 3.681 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000747681194 1136053478 /nfs/dbraw/zinc/05/34/78/1136053478.db2.gz IZIXHAUWOLPYIO-WFASDCNBSA-N 1 2 343.298 3.681 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(CNc2ccc([NH+](C)C)c(C)c2)c1C ZINC001201762038 1136060580 /nfs/dbraw/zinc/06/05/80/1136060580.db2.gz WQKHAFHEUHBYMI-UHFFFAOYSA-N 1 2 329.444 3.795 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1 ZINC000811749621 1136129500 /nfs/dbraw/zinc/12/95/00/1136129500.db2.gz WZUFECGGQJWRDI-ZWKOTPCHSA-N 1 2 344.524 3.689 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1 ZINC000811749621 1136129501 /nfs/dbraw/zinc/12/95/01/1136129501.db2.gz WZUFECGGQJWRDI-ZWKOTPCHSA-N 1 2 344.524 3.689 20 0 EHADLO O=C(Nc1ccc(Br)cc1)Nc1ccn2cc[nH+]c2c1 ZINC001202327094 1136129862 /nfs/dbraw/zinc/12/98/62/1136129862.db2.gz OATGASJXVXVSCZ-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1 ZINC000811727400 1136131172 /nfs/dbraw/zinc/13/11/72/1136131172.db2.gz FOKCIKOCUIUJPW-UHFFFAOYSA-N 1 2 327.350 3.699 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1 ZINC000811727400 1136131174 /nfs/dbraw/zinc/13/11/74/1136131174.db2.gz FOKCIKOCUIUJPW-UHFFFAOYSA-N 1 2 327.350 3.699 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735300 1136132060 /nfs/dbraw/zinc/13/20/60/1136132060.db2.gz QBRDYUPHGBHLRP-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735300 1136132061 /nfs/dbraw/zinc/13/20/61/1136132061.db2.gz QBRDYUPHGBHLRP-OAHLLOKOSA-N 1 2 340.389 3.742 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)c(=O)cc2C)cc1 ZINC000811753488 1136136192 /nfs/dbraw/zinc/13/61/92/1136136192.db2.gz CDXZZTWMAYPROX-KDURUIRLSA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)c(=O)cc2C)cc1 ZINC000811753488 1136136194 /nfs/dbraw/zinc/13/61/94/1136136194.db2.gz CDXZZTWMAYPROX-KDURUIRLSA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CC=CCC3)c(=O)cc2C)cc1 ZINC000811764215 1136137214 /nfs/dbraw/zinc/13/72/14/1136137214.db2.gz QDULKLQUYQDTCJ-GOSISDBHSA-N 1 2 337.467 3.773 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CC=CCC3)c(=O)cc2C)cc1 ZINC000811764215 1136137216 /nfs/dbraw/zinc/13/72/16/1136137216.db2.gz QDULKLQUYQDTCJ-GOSISDBHSA-N 1 2 337.467 3.773 20 0 EHADLO COC(C[N@H+](C)Cc1c(F)c(Cl)ccc1C(F)(F)F)OC ZINC001137984412 1136208808 /nfs/dbraw/zinc/20/88/08/1136208808.db2.gz JLKFKYJVLRVVAE-UHFFFAOYSA-N 1 2 329.721 3.549 20 0 EHADLO COC(C[N@@H+](C)Cc1c(F)c(Cl)ccc1C(F)(F)F)OC ZINC001137984412 1136208809 /nfs/dbraw/zinc/20/88/09/1136208809.db2.gz JLKFKYJVLRVVAE-UHFFFAOYSA-N 1 2 329.721 3.549 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc2cc[nH]c21 ZINC001170669439 1136186565 /nfs/dbraw/zinc/18/65/65/1136186565.db2.gz VHUFBSMFSUVBAB-UHFFFAOYSA-N 1 2 330.391 3.689 20 0 EHADLO O=C1C[C@H](c2cccc(Cl)c2)CN1C[N@@H+]1CCc2ccsc2C1 ZINC000812287638 1136191670 /nfs/dbraw/zinc/19/16/70/1136191670.db2.gz DKXMFOMITRVHTP-HNNXBMFYSA-N 1 2 346.883 3.733 20 0 EHADLO O=C1C[C@H](c2cccc(Cl)c2)CN1C[N@H+]1CCc2ccsc2C1 ZINC000812287638 1136191671 /nfs/dbraw/zinc/19/16/71/1136191671.db2.gz DKXMFOMITRVHTP-HNNXBMFYSA-N 1 2 346.883 3.733 20 0 EHADLO CC(C)[N@H+](Cn1c(=S)snc1-c1ccccc1)[C@H]1CCOC1 ZINC000812291085 1136192426 /nfs/dbraw/zinc/19/24/26/1136192426.db2.gz KBEUBWGXEVGGAJ-AWEZNQCLSA-N 1 2 335.498 3.798 20 0 EHADLO CC(C)[N@@H+](Cn1c(=S)snc1-c1ccccc1)[C@H]1CCOC1 ZINC000812291085 1136192429 /nfs/dbraw/zinc/19/24/29/1136192429.db2.gz KBEUBWGXEVGGAJ-AWEZNQCLSA-N 1 2 335.498 3.798 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccccc1SCc1ccco1 ZINC000747781936 1136193290 /nfs/dbraw/zinc/19/32/90/1136193290.db2.gz CXRCYOKJHREPOV-UHFFFAOYSA-N 1 2 328.393 3.662 20 0 EHADLO Brc1ccc2oc(C[NH2+][C@@H]3CCn4ccnc43)cc2c1 ZINC000850312550 1136234036 /nfs/dbraw/zinc/23/40/36/1136234036.db2.gz QXILJMHTZUNGJD-CYBMUJFWSA-N 1 2 332.201 3.626 20 0 EHADLO COc1ccc([C@H](O)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000812774972 1136245587 /nfs/dbraw/zinc/24/55/87/1136245587.db2.gz BEGFIYXFDBZFJA-IBGZPJMESA-N 1 2 342.439 3.506 20 0 EHADLO Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1cccc2[nH+]ccn21 ZINC000812846583 1136259938 /nfs/dbraw/zinc/25/99/38/1136259938.db2.gz LJQFBBLEXKGXAT-OAQYLSRUSA-N 1 2 344.418 3.732 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccccc1SC(C)(C)C ZINC000850540191 1136282074 /nfs/dbraw/zinc/28/20/74/1136282074.db2.gz JAVAIOLPDIWLDR-NSHDSACASA-N 1 2 349.525 3.983 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813226771 1136305842 /nfs/dbraw/zinc/30/58/42/1136305842.db2.gz OBDSUXNLCVVNBJ-KRWDZBQOSA-N 1 2 342.439 3.814 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813226771 1136305844 /nfs/dbraw/zinc/30/58/44/1136305844.db2.gz OBDSUXNLCVVNBJ-KRWDZBQOSA-N 1 2 342.439 3.814 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc(C(F)F)cc1 ZINC000885585055 1136340473 /nfs/dbraw/zinc/34/04/73/1136340473.db2.gz ZZCZININFPYTIS-LLVKDONJSA-N 1 2 333.260 3.953 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000813608846 1136350783 /nfs/dbraw/zinc/35/07/83/1136350783.db2.gz GHYIASUCYGOOTK-GOSISDBHSA-N 1 2 338.455 3.592 20 0 EHADLO Cc1nc2c(s1)[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CCC2 ZINC000813866241 1136368867 /nfs/dbraw/zinc/36/88/67/1136368867.db2.gz NCEFSHVRXILCPM-HUUCEWRRSA-N 1 2 331.489 3.858 20 0 EHADLO CC(C)c1ncc(C(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000851465669 1136381475 /nfs/dbraw/zinc/38/14/75/1136381475.db2.gz BRUBWBBZGBCUKO-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)c1ncc(C(=O)OC[C@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000851465669 1136381479 /nfs/dbraw/zinc/38/14/79/1136381479.db2.gz BRUBWBBZGBCUKO-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747989 1136405095 /nfs/dbraw/zinc/40/50/95/1136405095.db2.gz MJVOQFNOSREEDT-ROUUACIJSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747989 1136405098 /nfs/dbraw/zinc/40/50/98/1136405098.db2.gz MJVOQFNOSREEDT-ROUUACIJSA-N 1 2 325.399 3.543 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000110261203 1136414629 /nfs/dbraw/zinc/41/46/29/1136414629.db2.gz ONALSRDRUFRKNJ-QGZVFWFLSA-N 1 2 344.480 3.894 20 0 EHADLO Fc1cc(Br)cc([C@H]2CCC[N@H+]2CCOC(F)F)c1 ZINC000851939183 1136421295 /nfs/dbraw/zinc/42/12/95/1136421295.db2.gz AGIDVBFNZLFOGZ-GFCCVEGCSA-N 1 2 338.167 3.964 20 0 EHADLO Fc1cc(Br)cc([C@H]2CCC[N@@H+]2CCOC(F)F)c1 ZINC000851939183 1136421297 /nfs/dbraw/zinc/42/12/97/1136421297.db2.gz AGIDVBFNZLFOGZ-GFCCVEGCSA-N 1 2 338.167 3.964 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)n1 ZINC000851951401 1136421843 /nfs/dbraw/zinc/42/18/43/1136421843.db2.gz MUJMSAANMMTFJJ-IMJJTQAJSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)n1 ZINC000851951401 1136421847 /nfs/dbraw/zinc/42/18/47/1136421847.db2.gz MUJMSAANMMTFJJ-IMJJTQAJSA-N 1 2 334.435 3.696 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000851971184 1136424032 /nfs/dbraw/zinc/42/40/32/1136424032.db2.gz PEDADPJPMFKLRH-CQSZACIVSA-N 1 2 346.500 3.579 20 0 EHADLO COc1cccc(SCC[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000851971184 1136424034 /nfs/dbraw/zinc/42/40/34/1136424034.db2.gz PEDADPJPMFKLRH-CQSZACIVSA-N 1 2 346.500 3.579 20 0 EHADLO OC[C@H]([NH2+]CC=C(Cl)Cl)c1ccccc1OC(F)(F)F ZINC000852001700 1136426723 /nfs/dbraw/zinc/42/67/23/1136426723.db2.gz NMQSEUDACWEOLP-VIFPVBQESA-N 1 2 330.133 3.527 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000852044620 1136428950 /nfs/dbraw/zinc/42/89/50/1136428950.db2.gz FEFITUUADCRGKW-WMLDXEAASA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000852044620 1136428954 /nfs/dbraw/zinc/42/89/54/1136428954.db2.gz FEFITUUADCRGKW-WMLDXEAASA-N 1 2 349.475 3.514 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1cccs1)C2)C(F)(F)F ZINC000852336315 1136450597 /nfs/dbraw/zinc/45/05/97/1136450597.db2.gz UAVPBHNGLFXKQV-UHFFFAOYSA-N 1 2 326.343 3.765 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1cccs1)C2)C(F)(F)F ZINC000852336315 1136450599 /nfs/dbraw/zinc/45/05/99/1136450599.db2.gz UAVPBHNGLFXKQV-UHFFFAOYSA-N 1 2 326.343 3.765 20 0 EHADLO CO[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000814618269 1136480634 /nfs/dbraw/zinc/48/06/34/1136480634.db2.gz BUTXKKZYBOALOR-NVXWUHKLSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138006001 1136499628 /nfs/dbraw/zinc/49/96/28/1136499628.db2.gz SLIKECAWFNFMLW-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138006001 1136499630 /nfs/dbraw/zinc/49/96/30/1136499630.db2.gz SLIKECAWFNFMLW-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](CN1C[C@H](c3ccccn3)CC1=O)CC2 ZINC000853534148 1136542413 /nfs/dbraw/zinc/54/24/13/1136542413.db2.gz PPGGHQNAGJJSSR-HXUWFJFHSA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](CN1C[C@H](c3ccccn3)CC1=O)CC2 ZINC000853534148 1136542416 /nfs/dbraw/zinc/54/24/16/1136542416.db2.gz PPGGHQNAGJJSSR-HXUWFJFHSA-N 1 2 349.478 3.537 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627001 1136550404 /nfs/dbraw/zinc/55/04/04/1136550404.db2.gz MASALNPFXODMSW-CYBMUJFWSA-N 1 2 334.464 3.693 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627001 1136550405 /nfs/dbraw/zinc/55/04/05/1136550405.db2.gz MASALNPFXODMSW-CYBMUJFWSA-N 1 2 334.464 3.693 20 0 EHADLO C[N@@H+](CC1=CCSC1)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000853619751 1136550511 /nfs/dbraw/zinc/55/05/11/1136550511.db2.gz GPPZLZSHCRHQDD-GOSISDBHSA-N 1 2 342.508 3.693 20 0 EHADLO C[N@H+](CC1=CCSC1)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000853619751 1136550513 /nfs/dbraw/zinc/55/05/13/1136550513.db2.gz GPPZLZSHCRHQDD-GOSISDBHSA-N 1 2 342.508 3.693 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(F)cc(F)cc1F)O[C@H](C)C2 ZINC000815151621 1136557437 /nfs/dbraw/zinc/55/74/37/1136557437.db2.gz APKRNBUYRYPYSK-SNVBAGLBSA-N 1 2 337.341 3.726 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)o1 ZINC000815154039 1136557845 /nfs/dbraw/zinc/55/78/45/1136557845.db2.gz JIJJGWDTRINSBX-ZDUSSCGKSA-N 1 2 328.391 3.974 20 0 EHADLO CC(=O)N(c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000815160233 1136558955 /nfs/dbraw/zinc/55/89/55/1136558955.db2.gz UGRKINCCUAJQHW-UHFFFAOYSA-N 1 2 346.434 4.000 20 0 EHADLO CC1(C)C[N@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1ccncc1 ZINC000854038804 1136582242 /nfs/dbraw/zinc/58/22/42/1136582242.db2.gz CWINBDVVOGPZOV-QZTJIDSGSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1ccncc1 ZINC000854038804 1136582245 /nfs/dbraw/zinc/58/22/45/1136582245.db2.gz CWINBDVVOGPZOV-QZTJIDSGSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1ccncc1 ZINC000854038803 1136582516 /nfs/dbraw/zinc/58/25/16/1136582516.db2.gz CWINBDVVOGPZOV-MSOLQXFVSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1ccncc1 ZINC000854038803 1136582518 /nfs/dbraw/zinc/58/25/18/1136582518.db2.gz CWINBDVVOGPZOV-MSOLQXFVSA-N 1 2 343.471 3.618 20 0 EHADLO CC(C)[C@@H](F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854108560 1136588476 /nfs/dbraw/zinc/58/84/76/1136588476.db2.gz AMEDIWDFBGJVBI-VNQPRFMTSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)[C@@H](F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854108560 1136588477 /nfs/dbraw/zinc/58/84/77/1136588477.db2.gz AMEDIWDFBGJVBI-VNQPRFMTSA-N 1 2 333.407 3.698 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC000854164885 1136593993 /nfs/dbraw/zinc/59/39/93/1136593993.db2.gz BTJYNJYZIGEPKM-KKUMJFAQSA-N 1 2 349.475 3.875 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000815568342 1136611757 /nfs/dbraw/zinc/61/17/57/1136611757.db2.gz DKHVMQHWDJDZJX-OIISXLGYSA-N 1 2 327.476 3.731 20 0 EHADLO c1csc([C@@H](Nc2ccc([NH+]3CCCC3)cc2)c2nc[nH]n2)c1 ZINC000815601879 1136617493 /nfs/dbraw/zinc/61/74/93/1136617493.db2.gz HUKLGSLUZYEJIB-MRXNPFEDSA-N 1 2 325.441 3.668 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001170792933 1136617819 /nfs/dbraw/zinc/61/78/19/1136617819.db2.gz JOEWFDJPPJQRSV-KRWDZBQOSA-N 1 2 348.462 3.867 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000815617640 1136619439 /nfs/dbraw/zinc/61/94/39/1136619439.db2.gz RESQPWDIRXPFHD-CQSZACIVSA-N 1 2 340.402 3.682 20 0 EHADLO Cc1nc(-c2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2)cs1 ZINC000776753024 1136639925 /nfs/dbraw/zinc/63/99/25/1136639925.db2.gz MOLOZGADDTXVDJ-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO CC(C)(C)CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381577 1136673860 /nfs/dbraw/zinc/67/38/60/1136673860.db2.gz KCPGFHWPULPCTJ-UHFFFAOYSA-N 1 2 346.515 3.672 20 0 EHADLO Cn1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)n1 ZINC000543705601 1136679096 /nfs/dbraw/zinc/67/90/96/1136679096.db2.gz NWKPNRPOUOPXKC-SFHVURJKSA-N 1 2 343.377 3.901 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+]2Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000113246088 1136688214 /nfs/dbraw/zinc/68/82/14/1136688214.db2.gz NKQAWHXYZUHKLQ-LJQANCHMSA-N 1 2 347.462 3.678 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000113246088 1136688215 /nfs/dbraw/zinc/68/82/15/1136688215.db2.gz NKQAWHXYZUHKLQ-LJQANCHMSA-N 1 2 347.462 3.678 20 0 EHADLO O=C(Nc1cccnc1Oc1ccccc1)c1cccc2[nH+]ccn21 ZINC000776812259 1136697093 /nfs/dbraw/zinc/69/70/93/1136697093.db2.gz WWUWUWHCWNIXQJ-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824324 1136713990 /nfs/dbraw/zinc/71/39/90/1136713990.db2.gz NHRKSDHOVHIFNF-WOJBJXKFSA-N 1 2 344.499 3.797 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000776824324 1136713993 /nfs/dbraw/zinc/71/39/93/1136713993.db2.gz NHRKSDHOVHIFNF-WOJBJXKFSA-N 1 2 344.499 3.797 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000816501321 1136727767 /nfs/dbraw/zinc/72/77/67/1136727767.db2.gz FMYVLNJAWYLFAS-OAHLLOKOSA-N 1 2 346.452 3.553 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000816501321 1136727771 /nfs/dbraw/zinc/72/77/71/1136727771.db2.gz FMYVLNJAWYLFAS-OAHLLOKOSA-N 1 2 346.452 3.553 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000816501320 1136727825 /nfs/dbraw/zinc/72/78/25/1136727825.db2.gz FMYVLNJAWYLFAS-HNNXBMFYSA-N 1 2 346.452 3.553 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000816501320 1136727828 /nfs/dbraw/zinc/72/78/28/1136727828.db2.gz FMYVLNJAWYLFAS-HNNXBMFYSA-N 1 2 346.452 3.553 20 0 EHADLO Oc1ccc(F)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1F ZINC000816516391 1136729670 /nfs/dbraw/zinc/72/96/70/1136729670.db2.gz DCJULLHZJAHFMD-UHFFFAOYSA-N 1 2 331.362 3.692 20 0 EHADLO C[C@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000816527303 1136734399 /nfs/dbraw/zinc/73/43/99/1136734399.db2.gz DUZMACDCHXIICC-CVEARBPZSA-N 1 2 326.440 3.660 20 0 EHADLO Fc1ccccc1COC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000930161922 1136741042 /nfs/dbraw/zinc/74/10/42/1136741042.db2.gz DCUCYSXOBNGKSH-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO CCCc1ccc(-c2nc(NC(=O)Cc3[nH]cc[nH+]3)sc2C)cc1 ZINC000816833065 1136755820 /nfs/dbraw/zinc/75/58/20/1136755820.db2.gz WSQROWYJSYBGRI-UHFFFAOYSA-N 1 2 340.452 3.975 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000816908657 1136764900 /nfs/dbraw/zinc/76/49/00/1136764900.db2.gz NCRJLKNOKHCOGG-UHFFFAOYSA-N 1 2 340.814 3.856 20 0 EHADLO CCC1(CC)CCN(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1=O ZINC000817362412 1136802936 /nfs/dbraw/zinc/80/29/36/1136802936.db2.gz UMSCYJUWDAYNBE-UHFFFAOYSA-N 1 2 347.890 3.820 20 0 EHADLO CCC1(CC)CCN(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1=O ZINC000817362412 1136802940 /nfs/dbraw/zinc/80/29/40/1136802940.db2.gz UMSCYJUWDAYNBE-UHFFFAOYSA-N 1 2 347.890 3.820 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000817405819 1136805309 /nfs/dbraw/zinc/80/53/09/1136805309.db2.gz JEQVFEJWAPVEHD-IAGOWNOFSA-N 1 2 338.451 3.890 20 0 EHADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1coc(C3CC3)n1)CC2 ZINC000817417174 1136806417 /nfs/dbraw/zinc/80/64/17/1136806417.db2.gz GJEROCQZMUHMHB-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO COc1ccc(Cl)cc1NC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817562961 1136828144 /nfs/dbraw/zinc/82/81/44/1136828144.db2.gz RVDKHGZVLGWVFH-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000857026638 1136834198 /nfs/dbraw/zinc/83/41/98/1136834198.db2.gz UJRXWZUAZQTCGB-YOEHRIQHSA-N 1 2 335.469 3.618 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000857026638 1136834200 /nfs/dbraw/zinc/83/42/00/1136834200.db2.gz UJRXWZUAZQTCGB-YOEHRIQHSA-N 1 2 335.469 3.618 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC000776912052 1136841100 /nfs/dbraw/zinc/84/11/00/1136841100.db2.gz LNYCHOMSCDIAJT-LBPRGKRZSA-N 1 2 347.340 3.714 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C)c1 ZINC001205952803 1136864158 /nfs/dbraw/zinc/86/41/58/1136864158.db2.gz WTTABUIMPUZCPA-HNNXBMFYSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C)c1 ZINC001205952803 1136864161 /nfs/dbraw/zinc/86/41/61/1136864161.db2.gz WTTABUIMPUZCPA-HNNXBMFYSA-N 1 2 331.378 3.935 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1occc1C(=O)OC ZINC000818224507 1136867595 /nfs/dbraw/zinc/86/75/95/1136867595.db2.gz LPTBUOXGSUXPPB-UHFFFAOYSA-N 1 2 327.384 3.676 20 0 EHADLO O=C(Nc1ccc(Cl)nc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136146449 1136878773 /nfs/dbraw/zinc/87/87/73/1136878773.db2.gz YYYFNWZYTYJNPG-BETUJISGSA-N 1 2 330.819 3.739 20 0 EHADLO Cc1cccc2c(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)coc21 ZINC000819151315 1136914402 /nfs/dbraw/zinc/91/44/02/1136914402.db2.gz ANNWGXLNECLONB-MRXNPFEDSA-N 1 2 325.412 3.782 20 0 EHADLO O=C(/C=C\[C@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000819111727 1136915137 /nfs/dbraw/zinc/91/51/37/1136915137.db2.gz UEEGYIQKMUTCIY-RXQFDZFGSA-N 1 2 337.423 3.560 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977156 1136926841 /nfs/dbraw/zinc/92/68/41/1136926841.db2.gz AUXMTVBPIPLWPV-JKEYDSJLSA-N 1 2 336.222 3.854 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987298 1136927529 /nfs/dbraw/zinc/92/75/29/1136927529.db2.gz TWIAQIIAYVZEHF-FZMZJTMJSA-N 1 2 337.345 3.657 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024140 1136933524 /nfs/dbraw/zinc/93/35/24/1136933524.db2.gz UYLFAOHJYSAVLS-MLGOLLRUSA-N 1 2 344.484 3.723 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024140 1136933527 /nfs/dbraw/zinc/93/35/27/1136933527.db2.gz UYLFAOHJYSAVLS-MLGOLLRUSA-N 1 2 344.484 3.723 20 0 EHADLO Cc1cc([C@H]2CCCN2c2nc(N3Cc4ccccc4C3)cc[nH+]2)no1 ZINC000858340366 1136959444 /nfs/dbraw/zinc/95/94/44/1136959444.db2.gz DTEPOOYIYJBHJL-GOSISDBHSA-N 1 2 347.422 3.635 20 0 EHADLO CC(C)(C)SCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819875839 1136964396 /nfs/dbraw/zinc/96/43/96/1136964396.db2.gz LIONSQVCYMEMEZ-OAHLLOKOSA-N 1 2 331.485 3.580 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCc3ccc(Cl)cc32)cc(C)[nH+]1 ZINC000858549006 1136977763 /nfs/dbraw/zinc/97/77/63/1136977763.db2.gz ZEJVJQLBHURZDQ-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO Clc1csc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000858821241 1136993433 /nfs/dbraw/zinc/99/34/33/1136993433.db2.gz BRFMVDQZEMCESG-UHFFFAOYSA-N 1 2 332.860 3.600 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2coc3ccc(C)cc23)c1C ZINC000858926303 1136997118 /nfs/dbraw/zinc/99/71/18/1136997118.db2.gz DJRIAWFHTQYONC-UHFFFAOYSA-N 1 2 338.407 3.621 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)OCc1ccccc1C ZINC000859130637 1137004503 /nfs/dbraw/zinc/00/45/03/1137004503.db2.gz ILOKHBHMVFTHOP-UHFFFAOYSA-N 1 2 329.444 3.803 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2noc(C3CCC3)n2)C2CCOCC2)cc1 ZINC000859234038 1137009017 /nfs/dbraw/zinc/00/90/17/1137009017.db2.gz KTBVWPCCRZUDFE-SFHVURJKSA-N 1 2 327.428 3.595 20 0 EHADLO Cn1nc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1Cl ZINC000859235228 1137009161 /nfs/dbraw/zinc/00/91/61/1137009161.db2.gz DJSJGKPTSAHLKO-UHFFFAOYSA-N 1 2 325.790 3.911 20 0 EHADLO CC(C)CC1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000820895765 1137010290 /nfs/dbraw/zinc/01/02/90/1137010290.db2.gz IUKTVKCFZZYEFN-CQSZACIVSA-N 1 2 331.382 3.661 20 0 EHADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](C)CSc1ccccc1C ZINC000859349880 1137012521 /nfs/dbraw/zinc/01/25/21/1137012521.db2.gz JHBBLUCXUCZHHZ-DYVFJYSZSA-N 1 2 327.465 3.604 20 0 EHADLO Cc1ccsc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136442401 1137025617 /nfs/dbraw/zinc/02/56/17/1137025617.db2.gz QKFWJNJRTXISSV-INIZCTEOSA-N 1 2 348.899 3.991 20 0 EHADLO Cc1ccsc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136442401 1137025618 /nfs/dbraw/zinc/02/56/18/1137025618.db2.gz QKFWJNJRTXISSV-INIZCTEOSA-N 1 2 348.899 3.991 20 0 EHADLO CCOCC[N@H+](Cc1cc(Cl)n(C)n1)[C@H]1CCc2ccccc21 ZINC000859831380 1137033627 /nfs/dbraw/zinc/03/36/27/1137033627.db2.gz UCKBVVSTVSRYIT-KRWDZBQOSA-N 1 2 333.863 3.600 20 0 EHADLO CCOCC[N@@H+](Cc1cc(Cl)n(C)n1)[C@H]1CCc2ccccc21 ZINC000859831380 1137033628 /nfs/dbraw/zinc/03/36/28/1137033628.db2.gz UCKBVVSTVSRYIT-KRWDZBQOSA-N 1 2 333.863 3.600 20 0 EHADLO C[C@H](COc1ccccc1)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821621273 1137033857 /nfs/dbraw/zinc/03/38/57/1137033857.db2.gz MYAOAHWMUJMOKV-MRXNPFEDSA-N 1 2 336.391 3.556 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000860043355 1137041641 /nfs/dbraw/zinc/04/16/41/1137041641.db2.gz UKIKUXRRNIHMTQ-GUYCJALGSA-N 1 2 340.402 3.535 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136511684 1137042210 /nfs/dbraw/zinc/04/22/10/1137042210.db2.gz JLKMWXXHQAURDM-WMZOPIPTSA-N 1 2 340.471 3.551 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822310189 1137056407 /nfs/dbraw/zinc/05/64/07/1137056407.db2.gz KLVDOLWXQGVVCV-UHFFFAOYSA-N 1 2 336.338 3.502 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000822710465 1137071537 /nfs/dbraw/zinc/07/15/37/1137071537.db2.gz QCEKEMQDNBDIBG-LJQANCHMSA-N 1 2 347.418 3.557 20 0 EHADLO Cc1cc(NC(=O)c2cc3ccccc3[nH]c2=O)ccc1-n1cc[nH+]c1 ZINC001136624818 1137072862 /nfs/dbraw/zinc/07/28/62/1137072862.db2.gz KTUVXOSDYLRHAE-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000822911558 1137079024 /nfs/dbraw/zinc/07/90/24/1137079024.db2.gz RBFSEEHTQGEXQE-OAHLLOKOSA-N 1 2 341.361 3.688 20 0 EHADLO CC(C)=C[C@@H]1[C@H](c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)C1(C)C ZINC000823397342 1137098143 /nfs/dbraw/zinc/09/81/43/1137098143.db2.gz KZBKFXBVIILDAO-MBNYWOFBSA-N 1 2 335.448 3.507 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000823395551 1137098209 /nfs/dbraw/zinc/09/82/09/1137098209.db2.gz XEVHMJJJWJSQEV-GOSISDBHSA-N 1 2 336.391 3.536 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000823395551 1137098211 /nfs/dbraw/zinc/09/82/11/1137098211.db2.gz XEVHMJJJWJSQEV-GOSISDBHSA-N 1 2 336.391 3.536 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3c3cc(C)on3)cn2)cc1 ZINC000823404031 1137098355 /nfs/dbraw/zinc/09/83/55/1137098355.db2.gz JQKVXXXVWPURCO-IBGZPJMESA-N 1 2 338.411 3.514 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CCC[C@H]3c3cc(C)on3)cn2)cc1 ZINC000823404031 1137098357 /nfs/dbraw/zinc/09/83/57/1137098357.db2.gz JQKVXXXVWPURCO-IBGZPJMESA-N 1 2 338.411 3.514 20 0 EHADLO CCC(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000861444364 1137106684 /nfs/dbraw/zinc/10/66/84/1137106684.db2.gz YXSCPWKQBIDPMJ-KRWDZBQOSA-N 1 2 342.443 3.712 20 0 EHADLO CC[N@H+](CCS(=O)(=O)CC)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000118398790 1137113609 /nfs/dbraw/zinc/11/36/09/1137113609.db2.gz AAXFMDZUJDLHBB-LJQANCHMSA-N 1 2 349.471 3.672 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)CC)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000118398790 1137113611 /nfs/dbraw/zinc/11/36/11/1137113611.db2.gz AAXFMDZUJDLHBB-LJQANCHMSA-N 1 2 349.471 3.672 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)[C@H]1C ZINC000118415247 1137116035 /nfs/dbraw/zinc/11/60/35/1137116035.db2.gz UIQUVEAENYZSTF-QWRGUYRKSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)[C@H]1C ZINC000118415247 1137116036 /nfs/dbraw/zinc/11/60/36/1137116036.db2.gz UIQUVEAENYZSTF-QWRGUYRKSA-N 1 2 346.468 3.766 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000861651462 1137116630 /nfs/dbraw/zinc/11/66/30/1137116630.db2.gz SDYKDUZPTZOXCG-UHFFFAOYSA-N 1 2 342.346 3.543 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Br ZINC001136849664 1137131178 /nfs/dbraw/zinc/13/11/78/1137131178.db2.gz UALNWFGDIAGVKI-BONVTDFDSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Br ZINC001136849664 1137131180 /nfs/dbraw/zinc/13/11/80/1137131180.db2.gz UALNWFGDIAGVKI-BONVTDFDSA-N 1 2 346.215 3.728 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(Br)n1 ZINC000862212787 1137132363 /nfs/dbraw/zinc/13/23/63/1137132363.db2.gz LQOQTLPPEQSXKE-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccs2)c(Br)n1 ZINC000862212787 1137132365 /nfs/dbraw/zinc/13/23/65/1137132365.db2.gz LQOQTLPPEQSXKE-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136858775 1137132878 /nfs/dbraw/zinc/13/28/78/1137132878.db2.gz YTYWLPHNAYPQHI-UHFFFAOYSA-N 1 2 349.862 3.778 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2)n1cc[nH+]c1 ZINC000824452267 1137138206 /nfs/dbraw/zinc/13/82/06/1137138206.db2.gz FXPUQYHRBPNMCG-RBUKOAKNSA-N 1 2 341.455 3.869 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000824620886 1137146934 /nfs/dbraw/zinc/14/69/34/1137146934.db2.gz DCUKXSDYQLCMGN-KRWDZBQOSA-N 1 2 344.459 3.745 20 0 EHADLO Cn1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1C1CCC1 ZINC000339039467 1137149786 /nfs/dbraw/zinc/14/97/86/1137149786.db2.gz HXICFUMYHOCLCE-UHFFFAOYSA-N 1 2 338.386 3.870 20 0 EHADLO CCC1(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCC(F)(F)CC1 ZINC000824814072 1137153504 /nfs/dbraw/zinc/15/35/04/1137153504.db2.gz LLZOEKBUMQCRPX-UHFFFAOYSA-N 1 2 340.414 3.929 20 0 EHADLO COc1ncc(C[N@@H+]2CCn3c(Cl)ccc3[C@H]2C)cc1Cl ZINC000794447148 1137155847 /nfs/dbraw/zinc/15/58/47/1137155847.db2.gz WMQMTDVXIYQPRA-SNVBAGLBSA-N 1 2 326.227 3.775 20 0 EHADLO COc1ncc(C[N@H+]2CCn3c(Cl)ccc3[C@H]2C)cc1Cl ZINC000794447148 1137155849 /nfs/dbraw/zinc/15/58/49/1137155849.db2.gz WMQMTDVXIYQPRA-SNVBAGLBSA-N 1 2 326.227 3.775 20 0 EHADLO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000825091293 1137165364 /nfs/dbraw/zinc/16/53/64/1137165364.db2.gz XJEKDBXFVDGFGL-LLVKDONJSA-N 1 2 336.785 3.737 20 0 EHADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000825091293 1137165366 /nfs/dbraw/zinc/16/53/66/1137165366.db2.gz XJEKDBXFVDGFGL-LLVKDONJSA-N 1 2 336.785 3.737 20 0 EHADLO Clc1cncc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC001136994303 1137167082 /nfs/dbraw/zinc/16/70/82/1137167082.db2.gz PFAWWWOMVFYQRF-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CC(C)C[C@H](C(=O)NC1CCC(OC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000825244004 1137170299 /nfs/dbraw/zinc/17/02/99/1137170299.db2.gz DXNCVHFVLNDUNR-OFLPRAFFSA-N 1 2 335.492 3.713 20 0 EHADLO C/C(=C/C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1C ZINC001137019701 1137172858 /nfs/dbraw/zinc/17/28/58/1137172858.db2.gz NNJAVTXOQWDKQP-QINSGFPZSA-N 1 2 336.426 3.586 20 0 EHADLO C/C(=C/C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1C ZINC001137019701 1137172859 /nfs/dbraw/zinc/17/28/59/1137172859.db2.gz NNJAVTXOQWDKQP-QINSGFPZSA-N 1 2 336.426 3.586 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000863254211 1137177899 /nfs/dbraw/zinc/17/78/99/1137177899.db2.gz AGTQFNWCIPVKNK-DLBZAZTESA-N 1 2 337.467 3.697 20 0 EHADLO Cc1csc(C2([NH2+]CN3C[C@@H](c4ccccc4)OC3=O)CCC2)n1 ZINC000863263153 1137178655 /nfs/dbraw/zinc/17/86/55/1137178655.db2.gz MESHJPTYEALKKH-HNNXBMFYSA-N 1 2 343.452 3.571 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339463 1137181681 /nfs/dbraw/zinc/18/16/81/1137181681.db2.gz FLLUYSPOTHEGKH-MBVDDHJVSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339463 1137181682 /nfs/dbraw/zinc/18/16/82/1137181682.db2.gz FLLUYSPOTHEGKH-MBVDDHJVSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341764 1137181822 /nfs/dbraw/zinc/18/18/22/1137181822.db2.gz UQTILDMGYDAHRG-BAABZTOOSA-N 1 2 329.473 3.638 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341764 1137181823 /nfs/dbraw/zinc/18/18/23/1137181823.db2.gz UQTILDMGYDAHRG-BAABZTOOSA-N 1 2 329.473 3.638 20 0 EHADLO Fc1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(F)c1Cl ZINC001143626127 1137185958 /nfs/dbraw/zinc/18/59/58/1137185958.db2.gz JIGARXMPJNWDJH-UHFFFAOYSA-N 1 2 336.760 3.534 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001143651024 1137186645 /nfs/dbraw/zinc/18/66/45/1137186645.db2.gz POQBSLONJXSQAN-UHFFFAOYSA-N 1 2 346.515 3.802 20 0 EHADLO Cn1nc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)cc1Cl ZINC001171098195 1137193358 /nfs/dbraw/zinc/19/33/58/1137193358.db2.gz ITNJOOPMFGSHQA-UHFFFAOYSA-N 1 2 339.817 3.806 20 0 EHADLO CCCOc1cccc(-c2noc([C@@H]([NH3+])c3cccc(OC)c3)n2)c1 ZINC000863662545 1137197446 /nfs/dbraw/zinc/19/74/46/1137197446.db2.gz UIFQLJUDMDXHRD-KRWDZBQOSA-N 1 2 339.395 3.582 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H](C)c2cccs2)no1 ZINC000863662313 1137197587 /nfs/dbraw/zinc/19/75/87/1137197587.db2.gz LDSUQOCJUWTCDU-DVOMOZLQSA-N 1 2 343.452 3.888 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794567112 1137204434 /nfs/dbraw/zinc/20/44/34/1137204434.db2.gz PEDNSUUORHOBPK-GFCCVEGCSA-N 1 2 333.863 3.623 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794567112 1137204435 /nfs/dbraw/zinc/20/44/35/1137204435.db2.gz PEDNSUUORHOBPK-GFCCVEGCSA-N 1 2 333.863 3.623 20 0 EHADLO Cc1cc(N(Cc2ccccc2)C[C@H](O)c2ccco2)nc(C2CC2)[nH+]1 ZINC000772899603 1137205236 /nfs/dbraw/zinc/20/52/36/1137205236.db2.gz KOQYNKXGJPKKAK-SFHVURJKSA-N 1 2 349.434 3.996 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143892240 1137208823 /nfs/dbraw/zinc/20/88/23/1137208823.db2.gz SGBZVTPYOTZRSO-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143892240 1137208825 /nfs/dbraw/zinc/20/88/25/1137208825.db2.gz SGBZVTPYOTZRSO-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1F ZINC001143903376 1137211668 /nfs/dbraw/zinc/21/16/68/1137211668.db2.gz VVWYSMCLOOTBFD-ZDUSSCGKSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1F ZINC001143903376 1137211669 /nfs/dbraw/zinc/21/16/69/1137211669.db2.gz VVWYSMCLOOTBFD-ZDUSSCGKSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(F)c1F ZINC001143904553 1137211806 /nfs/dbraw/zinc/21/18/06/1137211806.db2.gz QAOYZLKIEHUNEE-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(F)c1F ZINC001143904553 1137211808 /nfs/dbraw/zinc/21/18/08/1137211808.db2.gz QAOYZLKIEHUNEE-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO CC[C@@H](OCC[N@H+](C)Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000844325349 1137213033 /nfs/dbraw/zinc/21/30/33/1137213033.db2.gz WEUILOMXZAAMRG-QGZVFWFLSA-N 1 2 335.879 3.982 20 0 EHADLO CC[C@@H](OCC[N@@H+](C)Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000844325349 1137213034 /nfs/dbraw/zinc/21/30/34/1137213034.db2.gz WEUILOMXZAAMRG-QGZVFWFLSA-N 1 2 335.879 3.982 20 0 EHADLO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049802 1137213222 /nfs/dbraw/zinc/21/32/22/1137213222.db2.gz LMXKPIQBZUZVGO-NWDGAFQWSA-N 1 2 326.282 3.820 20 0 EHADLO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049802 1137213224 /nfs/dbraw/zinc/21/32/24/1137213224.db2.gz LMXKPIQBZUZVGO-NWDGAFQWSA-N 1 2 326.282 3.820 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)n1cc[nH+]c1 ZINC000844347699 1137214070 /nfs/dbraw/zinc/21/40/70/1137214070.db2.gz VJBYPNRAMKXNPL-OAHLLOKOSA-N 1 2 349.438 3.673 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)C1CCCCC1 ZINC001143940371 1137216606 /nfs/dbraw/zinc/21/66/06/1137216606.db2.gz XZWOPFFKYJVPLZ-GOSISDBHSA-N 1 2 327.428 3.715 20 0 EHADLO Cc1cc(NC(=O)c2cn(C)nc2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001143945917 1137217304 /nfs/dbraw/zinc/21/73/04/1137217304.db2.gz FRLXUDIQJRVFRO-UHFFFAOYSA-N 1 2 349.438 3.824 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001143947215 1137217426 /nfs/dbraw/zinc/21/74/26/1137217426.db2.gz LTFHJPOMFCAAIY-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001143947215 1137217428 /nfs/dbraw/zinc/21/74/28/1137217428.db2.gz LTFHJPOMFCAAIY-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000794688554 1137232299 /nfs/dbraw/zinc/23/22/99/1137232299.db2.gz OZGBRBFPFSCMQP-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000794688554 1137232300 /nfs/dbraw/zinc/23/23/00/1137232300.db2.gz OZGBRBFPFSCMQP-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844554638 1137234578 /nfs/dbraw/zinc/23/45/78/1137234578.db2.gz QUAUPTWNUQESRA-NHYWBVRUSA-N 1 2 342.317 3.690 20 0 EHADLO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844695027 1137248307 /nfs/dbraw/zinc/24/83/07/1137248307.db2.gz RWYYIEYSISSASX-LBPRGKRZSA-N 1 2 339.892 3.951 20 0 EHADLO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844695027 1137248308 /nfs/dbraw/zinc/24/83/08/1137248308.db2.gz RWYYIEYSISSASX-LBPRGKRZSA-N 1 2 339.892 3.951 20 0 EHADLO Fc1ccc2n[nH]c(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC001144192908 1137249486 /nfs/dbraw/zinc/24/94/86/1137249486.db2.gz JBWKGZLDPGKASC-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO FC(F)(F)c1nn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844750355 1137249838 /nfs/dbraw/zinc/24/98/38/1137249838.db2.gz KRBGDZUCNBFUPD-VIFPVBQESA-N 1 2 345.362 3.772 20 0 EHADLO FC(F)(F)c1nn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(=S)s1 ZINC000844750355 1137249839 /nfs/dbraw/zinc/24/98/39/1137249839.db2.gz KRBGDZUCNBFUPD-VIFPVBQESA-N 1 2 345.362 3.772 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)cc1C ZINC001144186976 1137251352 /nfs/dbraw/zinc/25/13/52/1137251352.db2.gz PVAHDSSSHLLAOO-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000844739604 1137251540 /nfs/dbraw/zinc/25/15/40/1137251540.db2.gz FSKHNTFEGYBNGO-ZDUSSCGKSA-N 1 2 336.382 3.553 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000844739604 1137251542 /nfs/dbraw/zinc/25/15/42/1137251542.db2.gz FSKHNTFEGYBNGO-ZDUSSCGKSA-N 1 2 336.382 3.553 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3n[nH]c4ccc(F)cc43)C2)n1 ZINC001144202479 1137253587 /nfs/dbraw/zinc/25/35/87/1137253587.db2.gz REXAQUZDSXEGOG-GFCCVEGCSA-N 1 2 343.406 3.588 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3n[nH]c4ccc(F)cc43)C2)n1 ZINC001144202479 1137253588 /nfs/dbraw/zinc/25/35/88/1137253588.db2.gz REXAQUZDSXEGOG-GFCCVEGCSA-N 1 2 343.406 3.588 20 0 EHADLO CSc1ncc2c(n1)C[N@@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251597 1137261472 /nfs/dbraw/zinc/26/14/72/1137261472.db2.gz HOLVHQZEMWJMHV-UHFFFAOYSA-N 1 2 336.464 3.548 20 0 EHADLO CSc1ncc2c(n1)C[N@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251597 1137261474 /nfs/dbraw/zinc/26/14/74/1137261474.db2.gz HOLVHQZEMWJMHV-UHFFFAOYSA-N 1 2 336.464 3.548 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158037 1137265820 /nfs/dbraw/zinc/26/58/20/1137265820.db2.gz FZUIDEOIZMQXQK-QGZVFWFLSA-N 1 2 348.406 3.548 20 0 EHADLO OC[C@]1(F)CC[N@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001144308443 1137271296 /nfs/dbraw/zinc/27/12/96/1137271296.db2.gz NCKOPRXNGXBOOW-INIZCTEOSA-N 1 2 338.220 3.509 20 0 EHADLO OC[C@]1(F)CC[N@@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001144308443 1137271297 /nfs/dbraw/zinc/27/12/97/1137271297.db2.gz NCKOPRXNGXBOOW-INIZCTEOSA-N 1 2 338.220 3.509 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C)c(C)s1)Cc1cccc(OC)c1 ZINC001144378362 1137279442 /nfs/dbraw/zinc/27/94/42/1137279442.db2.gz HMSWFCVITPEIHL-CYBMUJFWSA-N 1 2 334.485 3.806 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C)c(C)s1)Cc1cccc(OC)c1 ZINC001144378362 1137279444 /nfs/dbraw/zinc/27/94/44/1137279444.db2.gz HMSWFCVITPEIHL-CYBMUJFWSA-N 1 2 334.485 3.806 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)nn1 ZINC000865403170 1137280252 /nfs/dbraw/zinc/28/02/52/1137280252.db2.gz SFBIUWQEUUOJTE-FQEVSTJZSA-N 1 2 336.439 3.576 20 0 EHADLO C[C@H](CC(=O)OCCOc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845282031 1137283568 /nfs/dbraw/zinc/28/35/68/1137283568.db2.gz LOIWZVYNAZBGIM-LLVKDONJSA-N 1 2 343.210 3.763 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000865438734 1137283569 /nfs/dbraw/zinc/28/35/69/1137283569.db2.gz GYRCGJHFVQOUGS-UHFFFAOYSA-N 1 2 338.238 3.862 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc3c(F)cccc3c2)s1 ZINC000865491206 1137288390 /nfs/dbraw/zinc/28/83/90/1137288390.db2.gz MITGJIZFRFCHKA-UHFFFAOYSA-N 1 2 330.432 3.813 20 0 EHADLO COc1cc(C)c([C@@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000845517552 1137296550 /nfs/dbraw/zinc/29/65/50/1137296550.db2.gz CVJIMOUOJPSTCE-OAHLLOKOSA-N 1 2 342.439 3.692 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1nccc(C)c1Br ZINC000865619234 1137299395 /nfs/dbraw/zinc/29/93/95/1137299395.db2.gz PYFVKBNTCNDHFP-UHFFFAOYSA-N 1 2 335.245 3.759 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(F)cc1Br ZINC001144582963 1137312702 /nfs/dbraw/zinc/31/27/02/1137312702.db2.gz APKADOWTIVEFEF-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)c(F)cc1Br ZINC001144582963 1137312704 /nfs/dbraw/zinc/31/27/04/1137312704.db2.gz APKADOWTIVEFEF-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1ccc(NCc2cccc3[nH+]ccn32)cc1OCCCCCO ZINC000865832898 1137314983 /nfs/dbraw/zinc/31/49/83/1137314983.db2.gz RBLJDUMYKYBEHB-UHFFFAOYSA-N 1 2 339.439 3.796 20 0 EHADLO FC1(F)CC12CCN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000865909529 1137319720 /nfs/dbraw/zinc/31/97/20/1137319720.db2.gz SXDAVZCAGMUQFG-UHFFFAOYSA-N 1 2 330.382 3.714 20 0 EHADLO FC1(F)CC12CCN(c1cc(NCc3ccccc3)nc[nH+]1)CC2 ZINC000865909529 1137319722 /nfs/dbraw/zinc/31/97/22/1137319722.db2.gz SXDAVZCAGMUQFG-UHFFFAOYSA-N 1 2 330.382 3.714 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc2cccnc2c1 ZINC000866026988 1137325292 /nfs/dbraw/zinc/32/52/92/1137325292.db2.gz RVNZTRDZUQJWJF-UHFFFAOYSA-N 1 2 332.411 3.742 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H](OC3CCC3)CC1)nc1ccccc12 ZINC000866145405 1137331583 /nfs/dbraw/zinc/33/15/83/1137331583.db2.gz LRECYJREODALHR-INIZCTEOSA-N 1 2 336.439 3.811 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H](OC3CCC3)CC1)nc1ccccc12 ZINC000866145406 1137331671 /nfs/dbraw/zinc/33/16/71/1137331671.db2.gz LRECYJREODALHR-MRXNPFEDSA-N 1 2 336.439 3.811 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)OCCCO2 ZINC000866231818 1137337106 /nfs/dbraw/zinc/33/71/06/1137337106.db2.gz AEHBQGDVQVJJQU-RISOHXOYSA-N 1 2 343.398 3.970 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144732527 1137339514 /nfs/dbraw/zinc/33/95/14/1137339514.db2.gz YYNMPNGBIXONPY-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144732527 1137339515 /nfs/dbraw/zinc/33/95/15/1137339515.db2.gz YYNMPNGBIXONPY-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)n1 ZINC000866307091 1137343911 /nfs/dbraw/zinc/34/39/11/1137343911.db2.gz QIGRKKAEJHXQGB-FXAWDEMLSA-N 1 2 337.398 3.742 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2ccnc(Cl)c2c1 ZINC000846263882 1137344422 /nfs/dbraw/zinc/34/44/22/1137344422.db2.gz IHPQWRLLKHOBBW-UHFFFAOYSA-N 1 2 340.814 3.602 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H](C)CCc1cccnc1 ZINC000866316983 1137345249 /nfs/dbraw/zinc/34/52/49/1137345249.db2.gz XKSKERLZIIFXQU-QGZVFWFLSA-N 1 2 325.456 3.660 20 0 EHADLO CCn1ncc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2F)n1 ZINC000866395341 1137351697 /nfs/dbraw/zinc/35/16/97/1137351697.db2.gz QPURTBAWOJLDLY-LJQANCHMSA-N 1 2 342.393 3.650 20 0 EHADLO Fc1cc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)ccn1 ZINC000866475070 1137357810 /nfs/dbraw/zinc/35/78/10/1137357810.db2.gz RNWDZBLLPNIHHI-LBPRGKRZSA-N 1 2 342.237 3.681 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000866483213 1137358263 /nfs/dbraw/zinc/35/82/63/1137358263.db2.gz DNZKQAOHILJVOW-KRWDZBQOSA-N 1 2 341.455 3.616 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000866627412 1137371183 /nfs/dbraw/zinc/37/11/83/1137371183.db2.gz XVXHGQFVBDBPFJ-FXAWDEMLSA-N 1 2 347.478 3.685 20 0 EHADLO CCc1ccccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001144967028 1137373926 /nfs/dbraw/zinc/37/39/26/1137373926.db2.gz RUYMGIGECWYVDW-FLIBITNWSA-N 1 2 334.463 3.720 20 0 EHADLO O=C(N[C@@H]1CCc2ccccc21)c1c[nH+]ccc1Nc1ccccc1 ZINC001146395689 1137389689 /nfs/dbraw/zinc/38/96/89/1137389689.db2.gz DLIYSFWWANYGFY-LJQANCHMSA-N 1 2 329.403 3.664 20 0 EHADLO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867939692 1137390509 /nfs/dbraw/zinc/39/05/09/1137390509.db2.gz IWKAXEJSDARNGZ-SJORKVTESA-N 1 2 349.862 3.732 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CSc2ccccc21 ZINC001147472478 1137407180 /nfs/dbraw/zinc/40/71/80/1137407180.db2.gz ZHKYHWYSGBNEFE-IRXDYDNUSA-N 1 2 349.459 3.895 20 0 EHADLO CC[C@H](C(=O)N1CCCCCc2ccccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC001147549170 1137408895 /nfs/dbraw/zinc/40/88/95/1137408895.db2.gz FGNKVBZTYQTINB-RBUKOAKNSA-N 1 2 344.499 3.635 20 0 EHADLO CC[C@H](C(=O)N1CCCCCc2ccccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC001147549170 1137408896 /nfs/dbraw/zinc/40/88/96/1137408896.db2.gz FGNKVBZTYQTINB-RBUKOAKNSA-N 1 2 344.499 3.635 20 0 EHADLO CC(C)C[C@H](C(=O)NC1(c2ccc(F)cc2)CCC1)n1cc[nH+]c1 ZINC001148712721 1137431636 /nfs/dbraw/zinc/43/16/36/1137431636.db2.gz HOMDQCUDIKWWPG-QGZVFWFLSA-N 1 2 329.419 3.805 20 0 EHADLO Cc1nc2c(cccc2C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000348114793 1137442006 /nfs/dbraw/zinc/44/20/06/1137442006.db2.gz CGNWNMANKKVJGC-UHFFFAOYSA-N 1 2 336.326 3.713 20 0 EHADLO CCCn1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)nn1 ZINC000714402645 1137472493 /nfs/dbraw/zinc/47/24/93/1137472493.db2.gz BVAOCRLZRCNMHR-UHFFFAOYSA-N 1 2 336.439 3.557 20 0 EHADLO COc1cccc([C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)CC[NH2+]2)c1 ZINC000870153230 1137478859 /nfs/dbraw/zinc/47/88/59/1137478859.db2.gz NPUJEPRQRBBUDU-SFHVURJKSA-N 1 2 342.439 3.507 20 0 EHADLO Cc1ccc([C@@H](NC(=O)CCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000339099261 1137479107 /nfs/dbraw/zinc/47/91/07/1137479107.db2.gz SMNMXYVNXWSHSS-NRFANRHFSA-N 1 2 333.435 3.567 20 0 EHADLO CCC[N@@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(F)cc21 ZINC000773300736 1137488340 /nfs/dbraw/zinc/48/83/40/1137488340.db2.gz RDEYQAUYQXOULR-UHFFFAOYSA-N 1 2 332.350 3.742 20 0 EHADLO CCC[N@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(F)cc21 ZINC000773300736 1137488342 /nfs/dbraw/zinc/48/83/42/1137488342.db2.gz RDEYQAUYQXOULR-UHFFFAOYSA-N 1 2 332.350 3.742 20 0 EHADLO Cc1cccc2nc(N3CCC([N@H+](C)CC(F)F)CC3)sc21 ZINC000795111226 1137490285 /nfs/dbraw/zinc/49/02/85/1137490285.db2.gz ZVLGPRTYJXSXOL-UHFFFAOYSA-N 1 2 325.428 3.770 20 0 EHADLO Cc1cccc2nc(N3CCC([N@@H+](C)CC(F)F)CC3)sc21 ZINC000795111226 1137490287 /nfs/dbraw/zinc/49/02/87/1137490287.db2.gz ZVLGPRTYJXSXOL-UHFFFAOYSA-N 1 2 325.428 3.770 20 0 EHADLO CCCc1cc(NC(C)(C)CC(=O)N2CCCC2)nc(CCC)[nH+]1 ZINC001171490866 1137491519 /nfs/dbraw/zinc/49/15/19/1137491519.db2.gz SMURHBQBYIGUPR-UHFFFAOYSA-N 1 2 332.492 3.585 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC2(F)F)C[C@@H]1C(C)(C)C ZINC001171586535 1137496902 /nfs/dbraw/zinc/49/69/02/1137496902.db2.gz RBKLXYKAWQTPSZ-RWMBFGLXSA-N 1 2 332.435 3.798 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC001171707777 1137505343 /nfs/dbraw/zinc/50/53/43/1137505343.db2.gz VZBHUGRXCYEXSO-UONOGXRCSA-N 1 2 331.412 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC001171707777 1137505345 /nfs/dbraw/zinc/50/53/45/1137505345.db2.gz VZBHUGRXCYEXSO-UONOGXRCSA-N 1 2 331.412 3.609 20 0 EHADLO C[C@H]1C[C@@H](NC(C(F)(F)F)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001171732325 1137507218 /nfs/dbraw/zinc/50/72/18/1137507218.db2.gz IXGUFBGAMPIPPE-CMPLNLGQSA-N 1 2 340.311 3.732 20 0 EHADLO C[C@H]1C[C@@H](NC(C(F)(F)F)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001171732325 1137507220 /nfs/dbraw/zinc/50/72/20/1137507220.db2.gz IXGUFBGAMPIPPE-CMPLNLGQSA-N 1 2 340.311 3.732 20 0 EHADLO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001171771590 1137509625 /nfs/dbraw/zinc/50/96/25/1137509625.db2.gz HGJACFIXSDSWOX-FQEVSTJZSA-N 1 2 336.414 3.570 20 0 EHADLO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001171771590 1137509627 /nfs/dbraw/zinc/50/96/27/1137509627.db2.gz HGJACFIXSDSWOX-FQEVSTJZSA-N 1 2 336.414 3.570 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC001171778468 1137510224 /nfs/dbraw/zinc/51/02/24/1137510224.db2.gz LOZMVFMBXJHIBV-GJZGRUSLSA-N 1 2 345.439 3.999 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC001171778468 1137510226 /nfs/dbraw/zinc/51/02/26/1137510226.db2.gz LOZMVFMBXJHIBV-GJZGRUSLSA-N 1 2 345.439 3.999 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(F)(C3CC3)C1)C2 ZINC001172093139 1137532489 /nfs/dbraw/zinc/53/24/89/1137532489.db2.gz UGNXRBXIGHHHST-ZSHCYNCHSA-N 1 2 338.467 3.741 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172340161 1137552213 /nfs/dbraw/zinc/55/22/13/1137552213.db2.gz RNCNYPGECQJTRW-YESZJQIVSA-N 1 2 349.519 3.780 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172340161 1137552215 /nfs/dbraw/zinc/55/22/15/1137552215.db2.gz RNCNYPGECQJTRW-YESZJQIVSA-N 1 2 349.519 3.780 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](c1nnc(C)o1)c1ccccc1OC ZINC001172352148 1137553761 /nfs/dbraw/zinc/55/37/61/1137553761.db2.gz QCVGLMGPQNBOGP-SUNYJGFJSA-N 1 2 347.459 3.659 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1F)c1ccc(F)c(F)c1 ZINC000872053111 1137568297 /nfs/dbraw/zinc/56/82/97/1137568297.db2.gz IAUHFCQJSJDLTC-DYZYQPBXSA-N 1 2 325.330 3.848 20 0 EHADLO CC(F)(F)C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872071971 1137569781 /nfs/dbraw/zinc/56/97/81/1137569781.db2.gz BBZHRAZZUKAIRI-YPMHNXCESA-N 1 2 334.204 3.772 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)on1 ZINC000872091613 1137570837 /nfs/dbraw/zinc/57/08/37/1137570837.db2.gz IFFSMMBPVUHMBU-MRXNPFEDSA-N 1 2 338.354 3.616 20 0 EHADLO COCc1cc([C@H](C)[NH2+]Cc2ncc(Cl)s2)ccc1OC ZINC000872114768 1137571981 /nfs/dbraw/zinc/57/19/81/1137571981.db2.gz CASBKMCSNXBVPH-JTQLQIEISA-N 1 2 326.849 3.802 20 0 EHADLO O=C(C1CC[NH+](C/C(Cl)=C\Cl)CC1)N1CCc2ccccc21 ZINC000124055174 1137578831 /nfs/dbraw/zinc/57/88/31/1137578831.db2.gz SAFPOXNRRRZCFJ-RVDMUPIBSA-N 1 2 339.266 3.607 20 0 EHADLO O=C1C[C@@H](C2CCCCC2)CN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000872565998 1137581506 /nfs/dbraw/zinc/58/15/06/1137581506.db2.gz TWMKDRICWFUVIR-MJGOQNOKSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1C[C@@H](C2CCCCC2)CN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000872565998 1137581507 /nfs/dbraw/zinc/58/15/07/1137581507.db2.gz TWMKDRICWFUVIR-MJGOQNOKSA-N 1 2 327.472 3.605 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cn2ccc(-c3ccsc3)n2)c1C ZINC000872631394 1137582115 /nfs/dbraw/zinc/58/21/15/1137582115.db2.gz SSFIIZMDROBEIW-UHFFFAOYSA-N 1 2 329.473 3.534 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cn2ccc(-c3ccsc3)n2)c1C ZINC000872631394 1137582116 /nfs/dbraw/zinc/58/21/16/1137582116.db2.gz SSFIIZMDROBEIW-UHFFFAOYSA-N 1 2 329.473 3.534 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)(C)C ZINC000872818656 1137585084 /nfs/dbraw/zinc/58/50/84/1137585084.db2.gz NPUXELDVNFTSRD-NSHDSACASA-N 1 2 345.409 3.711 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)C(C)(C)C ZINC000872818656 1137585085 /nfs/dbraw/zinc/58/50/85/1137585085.db2.gz NPUXELDVNFTSRD-NSHDSACASA-N 1 2 345.409 3.711 20 0 EHADLO Clc1cc2c(cc1NCc1ccc(-n3cc[nH+]c3)cc1)OCCO2 ZINC000124336110 1137587328 /nfs/dbraw/zinc/58/73/28/1137587328.db2.gz VJECUHPOXUCXBV-UHFFFAOYSA-N 1 2 341.798 3.909 20 0 EHADLO OCC[C@H]([NH2+]Cc1cccc(Cl)c1Br)c1ccco1 ZINC000873106518 1137590136 /nfs/dbraw/zinc/59/01/36/1137590136.db2.gz QGXLWSOLWCEJOE-LBPRGKRZSA-N 1 2 344.636 3.909 20 0 EHADLO Cc1cc(C2(C(=O)Nc3cccc(-c4[nH]c(C)c(C)[nH+]4)c3)CC2)on1 ZINC000874161115 1137611282 /nfs/dbraw/zinc/61/12/82/1137611282.db2.gz NJBOUFRINWOJBA-UHFFFAOYSA-N 1 2 336.395 3.660 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000874256959 1137612230 /nfs/dbraw/zinc/61/22/30/1137612230.db2.gz QYKIDTJVSIPDMV-UHFFFAOYSA-N 1 2 327.428 3.538 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001137868734 1137631745 /nfs/dbraw/zinc/63/17/45/1137631745.db2.gz PKNGMYHABUURMI-XPTSAGLGSA-N 1 2 341.295 3.629 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001137868734 1137631746 /nfs/dbraw/zinc/63/17/46/1137631746.db2.gz PKNGMYHABUURMI-XPTSAGLGSA-N 1 2 341.295 3.629 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876622323 1137657315 /nfs/dbraw/zinc/65/73/15/1137657315.db2.gz UVQJQSUKSGJAEN-QGZVFWFLSA-N 1 2 348.406 3.757 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876622323 1137657316 /nfs/dbraw/zinc/65/73/16/1137657316.db2.gz UVQJQSUKSGJAEN-QGZVFWFLSA-N 1 2 348.406 3.757 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3c(ccnc3Cl)o2)[C@@H](CC)CN1C(C)=O ZINC000876770663 1137660813 /nfs/dbraw/zinc/66/08/13/1137660813.db2.gz PASAVOLCWCGNBP-UONOGXRCSA-N 1 2 349.862 3.703 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3c(ccnc3Cl)o2)[C@@H](CC)CN1C(C)=O ZINC000876770663 1137660814 /nfs/dbraw/zinc/66/08/14/1137660814.db2.gz PASAVOLCWCGNBP-UONOGXRCSA-N 1 2 349.862 3.703 20 0 EHADLO C[C@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000876809542 1137662165 /nfs/dbraw/zinc/66/21/65/1137662165.db2.gz ZJMVDAULSFIGDD-XHDPSFHLSA-N 1 2 325.243 3.668 20 0 EHADLO COCc1nc2cc(NCc3[nH+]cc(C)c(OC)c3C)ccc2o1 ZINC000877081221 1137669684 /nfs/dbraw/zinc/66/96/84/1137669684.db2.gz ZJZKOQMJGBRYFF-UHFFFAOYSA-N 1 2 327.384 3.607 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1C ZINC000877570148 1137681500 /nfs/dbraw/zinc/68/15/00/1137681500.db2.gz DBCZJUGYJAJJAE-CYBMUJFWSA-N 1 2 336.357 3.901 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)n1 ZINC000877573676 1137681757 /nfs/dbraw/zinc/68/17/57/1137681757.db2.gz SICJSSIPTULPFU-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@]3(CCOC3)C2)n1 ZINC000877573676 1137681758 /nfs/dbraw/zinc/68/17/58/1137681758.db2.gz SICJSSIPTULPFU-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1ccc(OCc2nc(C[NH2+]C3CSC3)cs2)cc1 ZINC000877635073 1137683800 /nfs/dbraw/zinc/68/38/00/1137683800.db2.gz BJGJUDAZSHVARM-UHFFFAOYSA-N 1 2 326.874 3.581 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000877674991 1137685397 /nfs/dbraw/zinc/68/53/97/1137685397.db2.gz OZCZKCJBLCZPOL-UHFFFAOYSA-N 1 2 337.826 3.564 20 0 EHADLO O=C(NC1CC[NH+](Cc2ccc(Cl)o2)CC1)OCc1ccccc1 ZINC000877750819 1137687904 /nfs/dbraw/zinc/68/79/04/1137687904.db2.gz MKJXYTAGYSLAEK-UHFFFAOYSA-N 1 2 348.830 3.824 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c(C)n1 ZINC000877809633 1137690616 /nfs/dbraw/zinc/69/06/16/1137690616.db2.gz FFIPWBFCJAKCIO-JTQLQIEISA-N 1 2 344.365 3.877 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cnc(C3CCC3)s1)CC2 ZINC000877816363 1137691381 /nfs/dbraw/zinc/69/13/81/1137691381.db2.gz DNMHNFDMHIMICE-UHFFFAOYSA-N 1 2 341.480 3.927 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cnc(C3CCC3)s1)CC2 ZINC000877816363 1137691382 /nfs/dbraw/zinc/69/13/82/1137691382.db2.gz DNMHNFDMHIMICE-UHFFFAOYSA-N 1 2 341.480 3.927 20 0 EHADLO CCn1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c2ccccc21 ZINC000877822250 1137692078 /nfs/dbraw/zinc/69/20/78/1137692078.db2.gz FQBPSFTVVWHXBP-WBMJQRKESA-N 1 2 341.377 3.598 20 0 EHADLO CCn1nc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c2ccccc21 ZINC000877822250 1137692079 /nfs/dbraw/zinc/69/20/79/1137692079.db2.gz FQBPSFTVVWHXBP-WBMJQRKESA-N 1 2 341.377 3.598 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000126742935 1137692834 /nfs/dbraw/zinc/69/28/34/1137692834.db2.gz IBAFTFCGTSJNOG-OAHLLOKOSA-N 1 2 332.425 3.715 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000126742935 1137692835 /nfs/dbraw/zinc/69/28/35/1137692835.db2.gz IBAFTFCGTSJNOG-OAHLLOKOSA-N 1 2 332.425 3.715 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)c(OC)c1 ZINC000877905682 1137694973 /nfs/dbraw/zinc/69/49/73/1137694973.db2.gz AQQWYKWRAAPRFD-KRWDZBQOSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)c(OC)c1 ZINC000877905682 1137694974 /nfs/dbraw/zinc/69/49/74/1137694974.db2.gz AQQWYKWRAAPRFD-KRWDZBQOSA-N 1 2 342.439 3.908 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000877915593 1137695432 /nfs/dbraw/zinc/69/54/32/1137695432.db2.gz XAZGEXGRRXGXRR-MRXNPFEDSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000877915593 1137695433 /nfs/dbraw/zinc/69/54/33/1137695433.db2.gz XAZGEXGRRXGXRR-MRXNPFEDSA-N 1 2 327.465 3.566 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000877915900 1137695562 /nfs/dbraw/zinc/69/55/62/1137695562.db2.gz PSOCXNJQOJNVJX-LBPRGKRZSA-N 1 2 333.444 3.561 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000877915900 1137695563 /nfs/dbraw/zinc/69/55/63/1137695563.db2.gz PSOCXNJQOJNVJX-LBPRGKRZSA-N 1 2 333.444 3.561 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)o1 ZINC000877985152 1137698398 /nfs/dbraw/zinc/69/83/98/1137698398.db2.gz UITATPSTBIYPFK-INIZCTEOSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)o1 ZINC000877985152 1137698399 /nfs/dbraw/zinc/69/83/99/1137698399.db2.gz UITATPSTBIYPFK-INIZCTEOSA-N 1 2 339.370 3.918 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000878157049 1137704912 /nfs/dbraw/zinc/70/49/12/1137704912.db2.gz ATXXELANZLOHCW-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000878157049 1137704913 /nfs/dbraw/zinc/70/49/13/1137704913.db2.gz ATXXELANZLOHCW-INIZCTEOSA-N 1 2 334.261 3.910 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccn(C)n3)n2)n1 ZINC000878196811 1137706794 /nfs/dbraw/zinc/70/67/94/1137706794.db2.gz AYBLGRWONVIOHR-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccn(C)n3)n2)n1 ZINC000878196811 1137706795 /nfs/dbraw/zinc/70/67/95/1137706795.db2.gz AYBLGRWONVIOHR-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCCC[C@H]2C2CCC2)c1C ZINC000826030417 1137707686 /nfs/dbraw/zinc/70/76/86/1137707686.db2.gz BORBBHBIACJEEH-KRWDZBQOSA-N 1 2 331.460 3.571 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc2nc(Cl)ccc2c1 ZINC000127070443 1137712443 /nfs/dbraw/zinc/71/24/43/1137712443.db2.gz ODUYXDJABNZYEB-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@@H](C)c2c(C)noc2C)co1 ZINC000878364863 1137712866 /nfs/dbraw/zinc/71/28/66/1137712866.db2.gz PGTOMUABDBYHCC-NSHDSACASA-N 1 2 327.384 3.806 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)cnc2Cl)n1 ZINC000878380169 1137713609 /nfs/dbraw/zinc/71/36/09/1137713609.db2.gz ZMFHVIKKEOHZGX-UHFFFAOYSA-N 1 2 338.864 3.594 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391834 1137714086 /nfs/dbraw/zinc/71/40/86/1137714086.db2.gz JETWSMXOMJBBJP-MNOVXSKESA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391834 1137714087 /nfs/dbraw/zinc/71/40/87/1137714087.db2.gz JETWSMXOMJBBJP-MNOVXSKESA-N 1 2 344.406 3.706 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405437 1137714527 /nfs/dbraw/zinc/71/45/27/1137714527.db2.gz ZYBWJWPRBKTRTH-XJKSGUPXSA-N 1 2 335.398 3.740 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878405437 1137714528 /nfs/dbraw/zinc/71/45/28/1137714528.db2.gz ZYBWJWPRBKTRTH-XJKSGUPXSA-N 1 2 335.398 3.740 20 0 EHADLO Cc1nc(C[NH+]2CCC3(CCOCC3)CC2)sc1Br ZINC000878572928 1137720874 /nfs/dbraw/zinc/72/08/74/1137720874.db2.gz HLZKWFVULHLQMP-UHFFFAOYSA-N 1 2 345.306 3.607 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878615271 1137722393 /nfs/dbraw/zinc/72/23/93/1137722393.db2.gz WLIWOIARCNLQCK-MRXNPFEDSA-N 1 2 328.803 3.917 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878615271 1137722394 /nfs/dbraw/zinc/72/23/94/1137722394.db2.gz WLIWOIARCNLQCK-MRXNPFEDSA-N 1 2 328.803 3.917 20 0 EHADLO O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000878773116 1137727711 /nfs/dbraw/zinc/72/77/11/1137727711.db2.gz BMBGWAUNHWERQC-WCQYABFASA-N 1 2 338.333 3.601 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976402 1137734053 /nfs/dbraw/zinc/73/40/53/1137734053.db2.gz SHSMHEHGOUBILM-GJZGRUSLSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976402 1137734054 /nfs/dbraw/zinc/73/40/54/1137734054.db2.gz SHSMHEHGOUBILM-GJZGRUSLSA-N 1 2 338.238 3.654 20 0 EHADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000879038868 1137736124 /nfs/dbraw/zinc/73/61/24/1137736124.db2.gz ZHEDVQBMILDEAO-WDEREUQCSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC000879038868 1137736125 /nfs/dbraw/zinc/73/61/25/1137736125.db2.gz ZHEDVQBMILDEAO-WDEREUQCSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccccc3cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000879152548 1137739586 /nfs/dbraw/zinc/73/95/86/1137739586.db2.gz QZUFYVJPEGPMMV-LIRRHRJNSA-N 1 2 337.398 3.899 20 0 EHADLO c1nc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)oc1-c1ccccc1 ZINC000879498390 1137749373 /nfs/dbraw/zinc/74/93/73/1137749373.db2.gz SONKDSVZOYCPSH-GOSISDBHSA-N 1 2 346.434 3.721 20 0 EHADLO c1nc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)oc1-c1ccccc1 ZINC000879498390 1137749374 /nfs/dbraw/zinc/74/93/74/1137749374.db2.gz SONKDSVZOYCPSH-GOSISDBHSA-N 1 2 346.434 3.721 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000879740048 1137757279 /nfs/dbraw/zinc/75/72/79/1137757279.db2.gz ZQQDVKNGVRVNDJ-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000879740048 1137757280 /nfs/dbraw/zinc/75/72/80/1137757280.db2.gz ZQQDVKNGVRVNDJ-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001481 1137764296 /nfs/dbraw/zinc/76/42/96/1137764296.db2.gz VVRXPUYJAJFYKF-OTYXRUKQSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001481 1137764297 /nfs/dbraw/zinc/76/42/97/1137764297.db2.gz VVRXPUYJAJFYKF-OTYXRUKQSA-N 1 2 336.304 3.566 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@](C)(C(F)(F)F)C3)nc(N)c2c1C ZINC000880002054 1137764538 /nfs/dbraw/zinc/76/45/38/1137764538.db2.gz DSBXNELOQSWQCE-AWEZNQCLSA-N 1 2 344.406 3.665 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@](C)(C(F)(F)F)C3)nc(N)c2c1C ZINC000880002054 1137764539 /nfs/dbraw/zinc/76/45/39/1137764539.db2.gz DSBXNELOQSWQCE-AWEZNQCLSA-N 1 2 344.406 3.665 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000880004506 1137764617 /nfs/dbraw/zinc/76/46/17/1137764617.db2.gz WDGZSWCRVJCQGL-OAHLLOKOSA-N 1 2 343.324 3.574 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000880004506 1137764618 /nfs/dbraw/zinc/76/46/18/1137764618.db2.gz WDGZSWCRVJCQGL-OAHLLOKOSA-N 1 2 343.324 3.574 20 0 EHADLO C[C@H]1C[N@H+](Cc2nsc3ccccc23)CC[C@H](C(F)(F)F)O1 ZINC000880062852 1137766877 /nfs/dbraw/zinc/76/68/77/1137766877.db2.gz CBEZJTMHMRZSMO-IINYFYTJSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nsc3ccccc23)CC[C@H](C(F)(F)F)O1 ZINC000880062852 1137766878 /nfs/dbraw/zinc/76/68/78/1137766878.db2.gz CBEZJTMHMRZSMO-IINYFYTJSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062112 1137766952 /nfs/dbraw/zinc/76/69/52/1137766952.db2.gz HXSGJKAKNHPELA-GYSYKLTISA-N 1 2 328.334 3.931 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062112 1137766953 /nfs/dbraw/zinc/76/69/53/1137766953.db2.gz HXSGJKAKNHPELA-GYSYKLTISA-N 1 2 328.334 3.931 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)nc1 ZINC000880100103 1137768213 /nfs/dbraw/zinc/76/82/13/1137768213.db2.gz RCNQXSMKSCLYJD-MRVPVSSYSA-N 1 2 328.363 3.680 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)c1nccnc1C ZINC000880103999 1137768300 /nfs/dbraw/zinc/76/83/00/1137768300.db2.gz HUTGAWRPVZCXAP-AWEZNQCLSA-N 1 2 341.846 3.783 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000880296154 1137773799 /nfs/dbraw/zinc/77/37/99/1137773799.db2.gz VXHINGPABCIHTJ-SECBINFHSA-N 1 2 338.732 3.589 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000880296154 1137773800 /nfs/dbraw/zinc/77/38/00/1137773800.db2.gz VXHINGPABCIHTJ-SECBINFHSA-N 1 2 338.732 3.589 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000880303101 1137774095 /nfs/dbraw/zinc/77/40/95/1137774095.db2.gz LUSJVNVGDRUXTO-CQSZACIVSA-N 1 2 346.374 3.865 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000880303101 1137774096 /nfs/dbraw/zinc/77/40/96/1137774096.db2.gz LUSJVNVGDRUXTO-CQSZACIVSA-N 1 2 346.374 3.865 20 0 EHADLO Cc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1Br ZINC000880366559 1137776367 /nfs/dbraw/zinc/77/63/67/1137776367.db2.gz OSZLQXMBADGDEA-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1ccnc(F)c1)CC2 ZINC000880392805 1137777745 /nfs/dbraw/zinc/77/77/45/1137777745.db2.gz ZORCZGPGGBRLSM-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1ccnc(F)c1)CC2 ZINC000880392805 1137777746 /nfs/dbraw/zinc/77/77/46/1137777746.db2.gz ZORCZGPGGBRLSM-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO Fc1ccc(-c2nc(C[NH+]3CCC4(CCCCO4)CC3)no2)c(F)c1 ZINC000880458591 1137779074 /nfs/dbraw/zinc/77/90/74/1137779074.db2.gz YDBYTYMMJIHCOZ-UHFFFAOYSA-N 1 2 349.381 3.550 20 0 EHADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000880494197 1137780027 /nfs/dbraw/zinc/78/00/27/1137780027.db2.gz LFZIRISZXAYECE-JTQLQIEISA-N 1 2 341.263 3.850 20 0 EHADLO OC[C@@H]1C=CC[N@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000880494197 1137780028 /nfs/dbraw/zinc/78/00/28/1137780028.db2.gz LFZIRISZXAYECE-JTQLQIEISA-N 1 2 341.263 3.850 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cs1 ZINC000880551900 1137781166 /nfs/dbraw/zinc/78/11/66/1137781166.db2.gz UWEMHDPKFOBBON-WMLDXEAASA-N 1 2 343.496 3.835 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cs1 ZINC000880551900 1137781167 /nfs/dbraw/zinc/78/11/67/1137781167.db2.gz UWEMHDPKFOBBON-WMLDXEAASA-N 1 2 343.496 3.835 20 0 EHADLO CC(F)(F)c1cc(F)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000880717289 1137786162 /nfs/dbraw/zinc/78/61/62/1137786162.db2.gz IGPYSHGGJPEXIS-UHFFFAOYSA-N 1 2 340.349 3.736 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000880865496 1137792229 /nfs/dbraw/zinc/79/22/29/1137792229.db2.gz XZOMEPGAWOLBJE-UHFFFAOYSA-N 1 2 340.427 3.707 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1N1CCCC1 ZINC000881003958 1137797292 /nfs/dbraw/zinc/79/72/92/1137797292.db2.gz IDKZLLQYGJEOBZ-UHFFFAOYSA-N 1 2 349.438 3.565 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881170413 1137802521 /nfs/dbraw/zinc/80/25/21/1137802521.db2.gz PYWFFPARXGMHSJ-MFKMUULPSA-N 1 2 344.312 3.666 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3coc(C(F)F)c3)CC2)cc1 ZINC000881618333 1137811847 /nfs/dbraw/zinc/81/18/47/1137811847.db2.gz GZDMZISYCCTWKW-UHFFFAOYSA-N 1 2 348.393 3.738 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168113 1137811887 /nfs/dbraw/zinc/81/18/87/1137811887.db2.gz QQEVPOOLIFRRMF-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168113 1137811888 /nfs/dbraw/zinc/81/18/88/1137811888.db2.gz QQEVPOOLIFRRMF-GXTWGEPZSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2(C)C)cc1 ZINC000881660023 1137813174 /nfs/dbraw/zinc/81/31/74/1137813174.db2.gz JQZCQFSMEWQAPN-QZTJIDSGSA-N 1 2 337.467 3.549 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)CCn1cc[nH+]c1 ZINC000881662981 1137813431 /nfs/dbraw/zinc/81/34/31/1137813431.db2.gz VEMQLCQWUJLBDF-OAHLLOKOSA-N 1 2 331.847 3.721 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000882034671 1137819402 /nfs/dbraw/zinc/81/94/02/1137819402.db2.gz VXLFHYCQAPJQEL-HXUWFJFHSA-N 1 2 325.456 3.746 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(Br)cc2F)n1 ZINC000882992982 1137840709 /nfs/dbraw/zinc/84/07/09/1137840709.db2.gz BSECTNVAQKDTQL-UHFFFAOYSA-N 1 2 326.213 3.725 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882571986 1137829624 /nfs/dbraw/zinc/82/96/24/1137829624.db2.gz UBUMKFDQCCXXAR-CQSZACIVSA-N 1 2 329.297 3.875 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000882571838 1137829678 /nfs/dbraw/zinc/82/96/78/1137829678.db2.gz INNUBCGQXJJSFC-FZMZJTMJSA-N 1 2 341.308 3.657 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)[nH+]c12 ZINC000882748285 1137833306 /nfs/dbraw/zinc/83/33/06/1137833306.db2.gz ZPKLKHDMEXVAAF-KXBFYZLASA-N 1 2 331.419 3.646 20 0 EHADLO O=C(C[C@@H]1CCC(F)(F)C1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871411 1137836205 /nfs/dbraw/zinc/83/62/05/1137836205.db2.gz GWMJSQDGYZXSJN-GOEBONIOSA-N 1 2 333.382 3.566 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)n1 ZINC000883193593 1137848071 /nfs/dbraw/zinc/84/80/71/1137848071.db2.gz ZMKCXJPHYUYQAI-CQSZACIVSA-N 1 2 325.815 3.539 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc3cc(Br)ccc3o2)[nH]c1C ZINC000883279740 1137852251 /nfs/dbraw/zinc/85/22/51/1137852251.db2.gz DLFFIVLTAKZNBV-UHFFFAOYSA-N 1 2 334.217 3.825 20 0 EHADLO CCOc1cc(C[NH2+]C2(c3ncccn3)CCC2)cc(Cl)c1OC ZINC000883308004 1137853850 /nfs/dbraw/zinc/85/38/50/1137853850.db2.gz GLUSUMLMQSLTBK-UHFFFAOYSA-N 1 2 347.846 3.706 20 0 EHADLO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883311874 1137853981 /nfs/dbraw/zinc/85/39/81/1137853981.db2.gz NKARWJWGHCUEFA-SFHVURJKSA-N 1 2 345.450 3.709 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]C2(c3ncccn3)CCC2)c(C)c1OC ZINC000883311865 1137854030 /nfs/dbraw/zinc/85/40/30/1137854030.db2.gz MWSNSMRLYCWJGW-CQSZACIVSA-N 1 2 327.428 3.532 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000131521507 1137855500 /nfs/dbraw/zinc/85/55/00/1137855500.db2.gz HGPGQLZDOSGMKB-KRWDZBQOSA-N 1 2 329.469 3.560 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000131521507 1137855501 /nfs/dbraw/zinc/85/55/01/1137855501.db2.gz HGPGQLZDOSGMKB-KRWDZBQOSA-N 1 2 329.469 3.560 20 0 EHADLO COc1cc(F)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1OC ZINC000883381483 1137858453 /nfs/dbraw/zinc/85/84/53/1137858453.db2.gz NWFROAYZAQRHMB-KXBFYZLASA-N 1 2 333.378 3.958 20 0 EHADLO CO[C@]1(C)CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000348233305 1137870035 /nfs/dbraw/zinc/87/00/35/1137870035.db2.gz RBKLPECBPSICHC-GOSISDBHSA-N 1 2 332.469 3.723 20 0 EHADLO CO[C@]1(C)CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000348233305 1137870036 /nfs/dbraw/zinc/87/00/36/1137870036.db2.gz RBKLPECBPSICHC-GOSISDBHSA-N 1 2 332.469 3.723 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C)s3)n2)cc1 ZINC000102774195 1137873986 /nfs/dbraw/zinc/87/39/86/1137873986.db2.gz GLXKBMIZNSWPPG-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C)s3)n2)cc1 ZINC000102774195 1137873987 /nfs/dbraw/zinc/87/39/87/1137873987.db2.gz GLXKBMIZNSWPPG-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO Cc1ccc2c(Nc3c(F)c(F)c(C(N)=O)c(F)c3F)cccc2[nH+]1 ZINC001212796881 1137874549 /nfs/dbraw/zinc/87/45/49/1137874549.db2.gz KJKWKTZJMZZWKF-UHFFFAOYSA-N 1 2 349.287 3.942 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103307642 1137876025 /nfs/dbraw/zinc/87/60/25/1137876025.db2.gz PAFVZIVTAQMYMH-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(Cl)c1)NC1CCCCC1 ZINC001202621897 1137890753 /nfs/dbraw/zinc/89/07/53/1137890753.db2.gz PACSUHGXVPJWSX-UHFFFAOYSA-N 1 2 346.862 3.717 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3csc(-c4ccoc4)n3)ccc2[nH+]1 ZINC000348283215 1137893786 /nfs/dbraw/zinc/89/37/86/1137893786.db2.gz WHMSJMCSKMMUDN-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO O=C([C@H](F)c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103494 1137897798 /nfs/dbraw/zinc/89/77/98/1137897798.db2.gz NKUHWZJJZYHYSK-FUHWJXTLSA-N 1 2 341.430 3.636 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)o1 ZINC000112532482 1137908373 /nfs/dbraw/zinc/90/83/73/1137908373.db2.gz KOFMAPNCUJNSPT-KGLIPLIRSA-N 1 2 338.411 3.764 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918226 1137925499 /nfs/dbraw/zinc/92/54/99/1137925499.db2.gz NXAKQJOQLCRRDL-CZUORRHYSA-N 1 2 331.412 3.777 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918226 1137925500 /nfs/dbraw/zinc/92/55/00/1137925500.db2.gz NXAKQJOQLCRRDL-CZUORRHYSA-N 1 2 331.412 3.777 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000116382950 1137925639 /nfs/dbraw/zinc/92/56/39/1137925639.db2.gz YLJRUBSLNNLHRD-UHFFFAOYSA-N 1 2 336.457 3.502 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)ccc1F ZINC000118982327 1137937121 /nfs/dbraw/zinc/93/71/21/1137937121.db2.gz XTJJHSJYPXCPOI-JTQLQIEISA-N 1 2 328.309 3.855 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ncc(Br)cn1 ZINC000332289437 1137938564 /nfs/dbraw/zinc/93/85/64/1137938564.db2.gz DGLNDHUIDIYAKA-QMTHXVAHSA-N 1 2 348.244 3.673 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332349383 1137940941 /nfs/dbraw/zinc/94/09/41/1137940941.db2.gz SJYFCLFAHGSAFY-KOLCDFICSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332349383 1137940942 /nfs/dbraw/zinc/94/09/42/1137940942.db2.gz SJYFCLFAHGSAFY-KOLCDFICSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332349383 1137940943 /nfs/dbraw/zinc/94/09/43/1137940943.db2.gz SJYFCLFAHGSAFY-KOLCDFICSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332349383 1137940944 /nfs/dbraw/zinc/94/09/44/1137940944.db2.gz SJYFCLFAHGSAFY-KOLCDFICSA-N 1 2 325.771 3.508 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000332423148 1137943498 /nfs/dbraw/zinc/94/34/98/1137943498.db2.gz OKAOKJXOOGOISC-GFCCVEGCSA-N 1 2 346.818 3.677 20 0 EHADLO Cc1cccc(NC(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1C ZINC001202713915 1137943618 /nfs/dbraw/zinc/94/36/18/1137943618.db2.gz YZRJISXVBMPAML-UHFFFAOYSA-N 1 2 338.455 3.737 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120084998 1137946518 /nfs/dbraw/zinc/94/65/18/1137946518.db2.gz ZRTHDAYEOAKIIV-CYBMUJFWSA-N 1 2 349.862 3.536 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120084998 1137946519 /nfs/dbraw/zinc/94/65/19/1137946519.db2.gz ZRTHDAYEOAKIIV-CYBMUJFWSA-N 1 2 349.862 3.536 20 0 EHADLO CC(=O)N1CCc2cc(NC(=O)Nc3c(C)cc(C)[nH+]c3C)ccc21 ZINC000332552558 1137946942 /nfs/dbraw/zinc/94/69/42/1137946942.db2.gz KOIVAZWOFWGDGP-UHFFFAOYSA-N 1 2 338.411 3.560 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000120823954 1137952650 /nfs/dbraw/zinc/95/26/50/1137952650.db2.gz PASXNFKDMIWWBR-UHFFFAOYSA-N 1 2 348.368 3.955 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CNc2ccccc2C[NH+]2CCOCC2)o1 ZINC000120948396 1137953794 /nfs/dbraw/zinc/95/37/94/1137953794.db2.gz HRSYMFOWXNQBAO-MAUKXSAKSA-N 1 2 326.440 3.847 20 0 EHADLO C[C@H]1CC[C@H](c2nc(CC(=O)OCCCn3cc[nH+]c3)cs2)CC1 ZINC000884777886 1137973304 /nfs/dbraw/zinc/97/33/04/1137973304.db2.gz GBSOQWCXVAQWFS-SHTZXODSSA-N 1 2 347.484 3.809 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc2cc(C)ccc2n1 ZINC001137217190 1137987862 /nfs/dbraw/zinc/98/78/62/1137987862.db2.gz NMMWUZQBHZMIKT-NRFANRHFSA-N 1 2 348.446 3.759 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc2cc(C)ccc2n1 ZINC001137217190 1137987864 /nfs/dbraw/zinc/98/78/64/1137987864.db2.gz NMMWUZQBHZMIKT-NRFANRHFSA-N 1 2 348.446 3.759 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885242874 1137991414 /nfs/dbraw/zinc/99/14/14/1137991414.db2.gz RPIACWSHXIUXSL-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885242874 1137991416 /nfs/dbraw/zinc/99/14/16/1137991416.db2.gz RPIACWSHXIUXSL-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO FC(F)[C@@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000828100847 1137992270 /nfs/dbraw/zinc/99/22/70/1137992270.db2.gz BMCVFGPAZOPBLM-LBPRGKRZSA-N 1 2 332.272 3.724 20 0 EHADLO C[N@H+](CCSC(F)(F)F)Cc1nccn1Cc1ccccc1 ZINC000886023024 1138033227 /nfs/dbraw/zinc/03/32/27/1138033227.db2.gz KZJMIYBNIOMTGN-UHFFFAOYSA-N 1 2 329.391 3.616 20 0 EHADLO C[N@@H+](CCSC(F)(F)F)Cc1nccn1Cc1ccccc1 ZINC000886023024 1138033229 /nfs/dbraw/zinc/03/32/29/1138033229.db2.gz KZJMIYBNIOMTGN-UHFFFAOYSA-N 1 2 329.391 3.616 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000045649421 1138040988 /nfs/dbraw/zinc/04/09/88/1138040988.db2.gz XGGYLSMVDLUPOX-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000045649421 1138040990 /nfs/dbraw/zinc/04/09/90/1138040990.db2.gz XGGYLSMVDLUPOX-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC2(CCCC2)C1 ZINC000890260740 1138043734 /nfs/dbraw/zinc/04/37/34/1138043734.db2.gz MOYCTSZTNKGAQQ-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1OC(F)(F)F ZINC000886268787 1138062738 /nfs/dbraw/zinc/06/27/38/1138062738.db2.gz BHUCQMQOCXIJCS-UHFFFAOYSA-N 1 2 330.281 3.880 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ncco1 ZINC000886274379 1138063376 /nfs/dbraw/zinc/06/33/76/1138063376.db2.gz RMMLJXKWIQXVAS-LLVKDONJSA-N 1 2 336.317 3.730 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](CC(=O)c3ccccc3F)C2)n1 ZINC000886689527 1138115836 /nfs/dbraw/zinc/11/58/36/1138115836.db2.gz BUERDOGDYGYWMI-CQSZACIVSA-N 1 2 332.444 3.728 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)c3ccccc3F)C2)n1 ZINC000886689527 1138115837 /nfs/dbraw/zinc/11/58/37/1138115837.db2.gz BUERDOGDYGYWMI-CQSZACIVSA-N 1 2 332.444 3.728 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000075475776 1138128007 /nfs/dbraw/zinc/12/80/07/1138128007.db2.gz KSYXQSCMECFVOB-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc(F)ccc1Cl ZINC000076524708 1138132622 /nfs/dbraw/zinc/13/26/22/1138132622.db2.gz JZVLLNQEXLUMJH-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000077750690 1138143197 /nfs/dbraw/zinc/14/31/97/1138143197.db2.gz LZJNKPDFNSUDAI-QGZVFWFLSA-N 1 2 340.471 3.846 20 0 EHADLO CC[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000077904079 1138144379 /nfs/dbraw/zinc/14/43/79/1138144379.db2.gz UUQMENMBEXTTIS-HNNXBMFYSA-N 1 2 330.501 3.813 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Cl)c1ccc(C)o1 ZINC000080238180 1138161824 /nfs/dbraw/zinc/16/18/24/1138161824.db2.gz PQBYSFJOILGBBN-CYBMUJFWSA-N 1 2 339.819 3.736 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000080509025 1138163039 /nfs/dbraw/zinc/16/30/39/1138163039.db2.gz WFZADDQRTTWBFM-ONEGZZNKSA-N 1 2 339.414 3.541 20 0 EHADLO Cc1sc2nc(C[NH2+][C@H]3CCc4c3cccc4F)nc(N)c2c1C ZINC000886922914 1138172695 /nfs/dbraw/zinc/17/26/95/1138172695.db2.gz DRYFPCIFMRSCMV-AWEZNQCLSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cnccc1Cl ZINC001137236558 1138184309 /nfs/dbraw/zinc/18/43/09/1138184309.db2.gz HGZBMFUGEKVGGZ-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cnccc1Cl ZINC001137236558 1138184311 /nfs/dbraw/zinc/18/43/11/1138184311.db2.gz HGZBMFUGEKVGGZ-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO OC1(C[C@H]2CCCC[N@@H+]2Cc2noc(C3CCC3)n2)CCCCC1 ZINC000887034370 1138187515 /nfs/dbraw/zinc/18/75/15/1138187515.db2.gz RUVZKPYCIOGLEJ-MRXNPFEDSA-N 1 2 333.476 3.777 20 0 EHADLO OC1(C[C@H]2CCCC[N@H+]2Cc2noc(C3CCC3)n2)CCCCC1 ZINC000887034370 1138187516 /nfs/dbraw/zinc/18/75/16/1138187516.db2.gz RUVZKPYCIOGLEJ-MRXNPFEDSA-N 1 2 333.476 3.777 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000087133422 1138188957 /nfs/dbraw/zinc/18/89/57/1138188957.db2.gz CHIZPBOSGFMPJB-KRWDZBQOSA-N 1 2 347.503 3.529 20 0 EHADLO COCCN(C)c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000348550464 1138190112 /nfs/dbraw/zinc/19/01/12/1138190112.db2.gz JBFGJUFQQUQYMP-GOSISDBHSA-N 1 2 345.874 3.765 20 0 EHADLO COCCN(C)c1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000348550464 1138190114 /nfs/dbraw/zinc/19/01/14/1138190114.db2.gz JBFGJUFQQUQYMP-GOSISDBHSA-N 1 2 345.874 3.765 20 0 EHADLO COCc1csc(C[NH+]2CC(O)(c3cccc4ccccc43)C2)c1 ZINC000826535088 1138212387 /nfs/dbraw/zinc/21/23/87/1138212387.db2.gz SAMZIQXZLMDIDS-UHFFFAOYSA-N 1 2 339.460 3.751 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@@H](C)c1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000091702184 1138220370 /nfs/dbraw/zinc/22/03/70/1138220370.db2.gz RRDLPVLAXQTCIG-HOTGVXAUSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000091702184 1138220373 /nfs/dbraw/zinc/22/03/73/1138220373.db2.gz RRDLPVLAXQTCIG-HOTGVXAUSA-N 1 2 343.446 3.823 20 0 EHADLO C[C@H]1COCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000091800825 1138221865 /nfs/dbraw/zinc/22/18/65/1138221865.db2.gz VZKUPWNBXXWCOS-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@H]1COCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000091800825 1138221867 /nfs/dbraw/zinc/22/18/67/1138221867.db2.gz VZKUPWNBXXWCOS-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3cccs3)CCCC2)no1 ZINC000124056764 1138278543 /nfs/dbraw/zinc/27/85/43/1138278543.db2.gz IDILXXUNRIRWKN-UHFFFAOYSA-N 1 2 334.489 3.532 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124521819 1138288292 /nfs/dbraw/zinc/28/82/92/1138288292.db2.gz BYKFQZXMSJDBLT-CRAIPNDOSA-N 1 2 341.430 3.554 20 0 EHADLO CCN1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000348418390 1138290344 /nfs/dbraw/zinc/29/03/44/1138290344.db2.gz XGPVVYDZGHGFHF-MLGOLLRUSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000348418390 1138290346 /nfs/dbraw/zinc/29/03/46/1138290346.db2.gz XGPVVYDZGHGFHF-MLGOLLRUSA-N 1 2 336.842 3.642 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1c[nH+]cn1C ZINC000125941873 1138319420 /nfs/dbraw/zinc/31/94/20/1138319420.db2.gz QYOUPYAFGXAKQL-OAHLLOKOSA-N 1 2 335.883 3.572 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000126367445 1138329781 /nfs/dbraw/zinc/32/97/81/1138329781.db2.gz YFJLCGXPAGDXBW-QBWPFYJZSA-N 1 2 346.434 3.554 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126372856 1138329846 /nfs/dbraw/zinc/32/98/46/1138329846.db2.gz PONNNYHYBSHGTI-RISCZKNCSA-N 1 2 338.238 3.913 20 0 EHADLO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902578 1138345250 /nfs/dbraw/zinc/34/52/50/1138345250.db2.gz TXAGIIKDZLWKCQ-JHNDHUHGSA-N 1 2 331.460 3.701 20 0 EHADLO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 ZINC000333902578 1138345254 /nfs/dbraw/zinc/34/52/54/1138345254.db2.gz TXAGIIKDZLWKCQ-JHNDHUHGSA-N 1 2 331.460 3.701 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccsc2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263728434 1138351392 /nfs/dbraw/zinc/35/13/92/1138351392.db2.gz PMGLRQGPQAEUKG-INIZCTEOSA-N 1 2 341.436 3.544 20 0 EHADLO C[N@H+](Cc1nc(-c2ccsc2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263728434 1138351396 /nfs/dbraw/zinc/35/13/96/1138351396.db2.gz PMGLRQGPQAEUKG-INIZCTEOSA-N 1 2 341.436 3.544 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCCC34CCCC4)[nH+]cn2)C1 ZINC000334029314 1138363079 /nfs/dbraw/zinc/36/30/79/1138363079.db2.gz JQTVGTCUHJNVGI-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCCC34CCCC4)nc[nH+]2)C1 ZINC000334029314 1138363084 /nfs/dbraw/zinc/36/30/84/1138363084.db2.gz JQTVGTCUHJNVGI-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127871812 1138373632 /nfs/dbraw/zinc/37/36/32/1138373632.db2.gz XARDBEQOQDIOST-CYBMUJFWSA-N 1 2 347.846 3.684 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127871812 1138373637 /nfs/dbraw/zinc/37/36/37/1138373637.db2.gz XARDBEQOQDIOST-CYBMUJFWSA-N 1 2 347.846 3.684 20 0 EHADLO COc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129235405 1138406949 /nfs/dbraw/zinc/40/69/49/1138406949.db2.gz HOHLUQFVLOSASR-MLGOLLRUSA-N 1 2 348.834 3.660 20 0 EHADLO CSCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129704853 1138418024 /nfs/dbraw/zinc/41/80/24/1138418024.db2.gz QEYGEETYGLIEGQ-WMLDXEAASA-N 1 2 344.484 3.861 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000336872440 1138418987 /nfs/dbraw/zinc/41/89/87/1138418987.db2.gz PNGKIWAURHYEQS-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000336872440 1138418988 /nfs/dbraw/zinc/41/89/88/1138418988.db2.gz PNGKIWAURHYEQS-NSHDSACASA-N 1 2 342.390 3.640 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)c1 ZINC000336878354 1138419480 /nfs/dbraw/zinc/41/94/80/1138419480.db2.gz DOZDGXYEOXTPBO-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)c1 ZINC000336878354 1138419481 /nfs/dbraw/zinc/41/94/81/1138419481.db2.gz DOZDGXYEOXTPBO-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264151628 1138429866 /nfs/dbraw/zinc/42/98/66/1138429866.db2.gz MVYHDWWYKJOBKA-ZWKOTPCHSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)c1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cs1 ZINC000130176405 1138439870 /nfs/dbraw/zinc/43/98/70/1138439870.db2.gz UJFGKXJVLXJCIP-ZDUSSCGKSA-N 1 2 349.525 3.847 20 0 EHADLO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000337004513 1138446155 /nfs/dbraw/zinc/44/61/55/1138446155.db2.gz XGEILJDKIJMUNX-AEFFLSMTSA-N 1 2 348.393 3.686 20 0 EHADLO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000337004513 1138446156 /nfs/dbraw/zinc/44/61/56/1138446156.db2.gz XGEILJDKIJMUNX-AEFFLSMTSA-N 1 2 348.393 3.686 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCCOc2cccc(C(F)(F)F)c2)no1 ZINC000264278254 1138462332 /nfs/dbraw/zinc/46/23/32/1138462332.db2.gz GAVXLKGEGXRQKW-UHFFFAOYSA-N 1 2 343.349 3.691 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1)[NH+]1CCOCC1 ZINC000264298773 1138467103 /nfs/dbraw/zinc/46/71/03/1138467103.db2.gz XBHIPIPDDPVJLI-HNNXBMFYSA-N 1 2 349.434 3.813 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)s1 ZINC000264301750 1138468405 /nfs/dbraw/zinc/46/84/05/1138468405.db2.gz XMGZRSBZKIPEQP-OAHLLOKOSA-N 1 2 344.480 3.631 20 0 EHADLO CC(C)CCO[C@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000337137094 1138476124 /nfs/dbraw/zinc/47/61/24/1138476124.db2.gz PGDGORCGCDIPNW-QGZVFWFLSA-N 1 2 347.503 3.529 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337150056 1138480022 /nfs/dbraw/zinc/48/00/22/1138480022.db2.gz KOIZWSHTBWAHTB-BRWVUGGUSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1sccc1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337151000 1138480373 /nfs/dbraw/zinc/48/03/73/1138480373.db2.gz LJXHOHHHGUIRJG-MRXNPFEDSA-N 1 2 343.496 3.538 20 0 EHADLO OC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1cccc(Cl)c1F ZINC000337201790 1138494237 /nfs/dbraw/zinc/49/42/37/1138494237.db2.gz DLMXJKJYVBYQEM-ZDUSSCGKSA-N 1 2 348.727 3.716 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1F ZINC000337217553 1138498359 /nfs/dbraw/zinc/49/83/59/1138498359.db2.gz INJHWHXVFWDAIW-CYBMUJFWSA-N 1 2 348.727 3.716 20 0 EHADLO FC1(c2ccccc2)CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000337256056 1138510913 /nfs/dbraw/zinc/51/09/13/1138510913.db2.gz TUVZNJAFBGVYMA-UHFFFAOYSA-N 1 2 336.414 3.728 20 0 EHADLO COc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1OC1CCCC1 ZINC000131545892 1138525185 /nfs/dbraw/zinc/52/51/85/1138525185.db2.gz CJALCDWMDFDKKL-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000337327444 1138534655 /nfs/dbraw/zinc/53/46/55/1138534655.db2.gz QGTLLGIGVXRRDL-UHFFFAOYSA-N 1 2 333.382 3.736 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC000132092722 1138561521 /nfs/dbraw/zinc/56/15/21/1138561521.db2.gz UFDBMJUDVLXHFE-UHFFFAOYSA-N 1 2 347.484 3.561 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)ccc1Br ZINC000337436019 1138568952 /nfs/dbraw/zinc/56/89/52/1138568952.db2.gz XDKQIBPHGWXJEK-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)ccc1Br ZINC000337436019 1138568955 /nfs/dbraw/zinc/56/89/55/1138568955.db2.gz XDKQIBPHGWXJEK-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337473617 1138579137 /nfs/dbraw/zinc/57/91/37/1138579137.db2.gz WYRGBCUYLWPUKU-CQSZACIVSA-N 1 2 339.370 3.829 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cnn(C2CCCC2)c1 ZINC000337521877 1138593632 /nfs/dbraw/zinc/59/36/32/1138593632.db2.gz PRTULHKOERNHLB-LBPRGKRZSA-N 1 2 341.381 3.608 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000337531158 1138597120 /nfs/dbraw/zinc/59/71/20/1138597120.db2.gz DGHWZDVBSJIARU-GVDBMIGSSA-N 1 2 330.476 3.542 20 0 EHADLO O=C(Nc1cccc(Br)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264702712 1138610622 /nfs/dbraw/zinc/61/06/22/1138610622.db2.gz HGKBNZWUTQDSSL-NSHDSACASA-N 1 2 349.232 3.584 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1C(F)(F)F ZINC000337610745 1138620860 /nfs/dbraw/zinc/62/08/60/1138620860.db2.gz VZDOWIDMBRCXBX-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264734961 1138621355 /nfs/dbraw/zinc/62/13/55/1138621355.db2.gz ODSPIZHZGPXVCQ-CQSZACIVSA-N 1 2 328.416 3.528 20 0 EHADLO CCO[C@@H](CCNc1[nH+]cnc2c1cnn2-c1ccccc1)C(C)C ZINC000337633538 1138628133 /nfs/dbraw/zinc/62/81/33/1138628133.db2.gz ZYFORNKNPZZOFD-KRWDZBQOSA-N 1 2 339.443 3.679 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264783988 1138638571 /nfs/dbraw/zinc/63/85/71/1138638571.db2.gz QCZLXPQVKABBTH-RCCFBDPRSA-N 1 2 338.455 3.635 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)n1 ZINC000133525655 1138643320 /nfs/dbraw/zinc/64/33/20/1138643320.db2.gz WLVUUIZTDVNWGF-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO CCOC(=O)C1CCC(N(CC)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000337800669 1138671315 /nfs/dbraw/zinc/67/13/15/1138671315.db2.gz HXGNRRHJWKCOEM-UHFFFAOYSA-N 1 2 331.460 3.611 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000337915369 1138697437 /nfs/dbraw/zinc/69/74/37/1138697437.db2.gz OTCXVMIZLFMCLY-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338042375 1138731729 /nfs/dbraw/zinc/73/17/29/1138731729.db2.gz RMFDJVQXCZLTLK-UHFFFAOYSA-N 1 2 331.828 3.859 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000265169648 1138753720 /nfs/dbraw/zinc/75/37/20/1138753720.db2.gz AGQUXZXYYBIBRQ-HZPDHXFCSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000265221946 1138770853 /nfs/dbraw/zinc/77/08/53/1138770853.db2.gz LOHGIAHOSWEODS-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265282927 1138794891 /nfs/dbraw/zinc/79/48/91/1138794891.db2.gz WWHUVPYLVMODAQ-AWEZNQCLSA-N 1 2 338.411 3.554 20 0 EHADLO O=C(Nc1cccc(-c2ncco2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338253181 1138801720 /nfs/dbraw/zinc/80/17/20/1138801720.db2.gz RFQZSHRHEBDXPW-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO COC[C@@H]([NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000136653424 1138806769 /nfs/dbraw/zinc/80/67/69/1138806769.db2.gz BNDFNQXLZUEZFQ-MOPGFXCFSA-N 1 2 349.434 3.841 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000338285500 1138816616 /nfs/dbraw/zinc/81/66/16/1138816616.db2.gz UHHKMMOPNCFJJO-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1cc(NCc2ccc(NC(=O)NC(C)C)cc2)nc(C2CC2)[nH+]1 ZINC000265358719 1138830301 /nfs/dbraw/zinc/83/03/01/1138830301.db2.gz LUCZEHZCKPJLSX-UHFFFAOYSA-N 1 2 339.443 3.804 20 0 EHADLO Cc1cc(N[C@H](c2nccn2C)c2ccccc2F)nc(C2CC2)[nH+]1 ZINC000265398789 1138856527 /nfs/dbraw/zinc/85/65/27/1138856527.db2.gz XHSSFSOJMFBDOR-KRWDZBQOSA-N 1 2 337.402 3.737 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCc2ccccc2F)o1 ZINC000137574140 1138862515 /nfs/dbraw/zinc/86/25/15/1138862515.db2.gz GUPYNPFUAMBLBS-LJQANCHMSA-N 1 2 337.398 3.859 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCc2ccccc2F)o1 ZINC000137574140 1138862525 /nfs/dbraw/zinc/86/25/25/1138862525.db2.gz GUPYNPFUAMBLBS-LJQANCHMSA-N 1 2 337.398 3.859 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000338392726 1138884984 /nfs/dbraw/zinc/88/49/84/1138884984.db2.gz XBWXPLRHQRJNIU-HNNXBMFYSA-N 1 2 329.469 3.536 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265487850 1138923967 /nfs/dbraw/zinc/92/39/67/1138923967.db2.gz HDVXFGNUBNHIIP-NRFANRHFSA-N 1 2 345.446 3.683 20 0 EHADLO Cc1nc(N2CCOc3ccc(Br)cc3C2)c(C)c(C)[nH+]1 ZINC000338483323 1138935370 /nfs/dbraw/zinc/93/53/70/1138935370.db2.gz CZCDZZJSDJWAAX-UHFFFAOYSA-N 1 2 348.244 3.563 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cccnc3)n2)cc1F ZINC000151105608 1139009431 /nfs/dbraw/zinc/00/94/31/1139009431.db2.gz UGLZOGBEXGCSQA-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1cscc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000151347565 1139026462 /nfs/dbraw/zinc/02/64/62/1139026462.db2.gz HFMXLWZRICXASY-UHFFFAOYSA-N 1 2 331.466 3.885 20 0 EHADLO CC(C)(C)O[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000151614964 1139047850 /nfs/dbraw/zinc/04/78/50/1139047850.db2.gz CVBCVRRXSXODDM-GOSISDBHSA-N 1 2 341.455 3.603 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000152582157 1139098790 /nfs/dbraw/zinc/09/87/90/1139098790.db2.gz CZBJUEKSGDPTGQ-SOLBZPMBSA-N 1 2 326.444 3.545 20 0 EHADLO Cc1c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)sc2cccc(F)c12 ZINC000153383612 1139134740 /nfs/dbraw/zinc/13/47/40/1139134740.db2.gz YZZGPKCJRFGJFP-NSHDSACASA-N 1 2 331.416 3.611 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N(CC1CC1)C1CCC1 ZINC000889548547 1139229988 /nfs/dbraw/zinc/22/99/88/1139229988.db2.gz GXGDVFBXIBXPGG-QAQDUYKDSA-N 1 2 342.487 3.779 20 0 EHADLO CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889565633 1139236742 /nfs/dbraw/zinc/23/67/42/1139236742.db2.gz OJGZLWLUIGGQSH-IYARVYRRSA-N 1 2 338.455 3.646 20 0 EHADLO CC(C)[C@H](C)N(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259201 1139333222 /nfs/dbraw/zinc/33/32/22/1139333222.db2.gz RTPWAQLYITXEJQ-QFBILLFUSA-N 1 2 340.471 3.843 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890264771 1139335098 /nfs/dbraw/zinc/33/50/98/1139335098.db2.gz HTBHFTZLBNVALK-QRQLOZEOSA-N 1 2 340.471 3.845 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890269163 1139335581 /nfs/dbraw/zinc/33/55/81/1139335581.db2.gz WLGVZYNYERYODX-QZTJIDSGSA-N 1 2 326.444 3.599 20 0 EHADLO Cc1cccc2c1C[N@H+](Cc1csc(CC(=O)OC(C)C)n1)CC2 ZINC000429573492 1139363445 /nfs/dbraw/zinc/36/34/45/1139363445.db2.gz ZVELTMHZSKBTSZ-UHFFFAOYSA-N 1 2 344.480 3.504 20 0 EHADLO Cc1cccc2c1C[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)CC2 ZINC000429573492 1139363448 /nfs/dbraw/zinc/36/34/48/1139363448.db2.gz ZVELTMHZSKBTSZ-UHFFFAOYSA-N 1 2 344.480 3.504 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173882123 1139385299 /nfs/dbraw/zinc/38/52/99/1139385299.db2.gz HHXRFSKHNROCDA-WMLDXEAASA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173882123 1139385307 /nfs/dbraw/zinc/38/53/07/1139385307.db2.gz HHXRFSKHNROCDA-WMLDXEAASA-N 1 2 337.427 3.677 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000174629021 1139432074 /nfs/dbraw/zinc/43/20/74/1139432074.db2.gz CIWNHHUQMMLABV-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000174629021 1139432076 /nfs/dbraw/zinc/43/20/76/1139432076.db2.gz CIWNHHUQMMLABV-UHFFFAOYSA-N 1 2 343.402 3.542 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)C(C)C ZINC000174903738 1139449467 /nfs/dbraw/zinc/44/94/67/1139449467.db2.gz NVBAEQWMFUIKJZ-QGZVFWFLSA-N 1 2 331.504 3.829 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000175542322 1139498867 /nfs/dbraw/zinc/49/88/67/1139498867.db2.gz IEZNQDIZJOWMRN-UHFFFAOYSA-N 1 2 329.469 3.612 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000175542322 1139498871 /nfs/dbraw/zinc/49/88/71/1139498871.db2.gz IEZNQDIZJOWMRN-UHFFFAOYSA-N 1 2 329.469 3.612 20 0 EHADLO Cc1cccnc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178056909 1139666224 /nfs/dbraw/zinc/66/62/24/1139666224.db2.gz QPYMXTQJNCGGLR-ZWKOTPCHSA-N 1 2 347.422 3.637 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)cc(F)c2)c1C ZINC000178265818 1139683102 /nfs/dbraw/zinc/68/31/02/1139683102.db2.gz GHTXGDPSMYVSNN-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO CS[C@@H](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179226065 1139744085 /nfs/dbraw/zinc/74/40/85/1139744085.db2.gz QQQYHTNWFABXHO-ZDUSSCGKSA-N 1 2 329.469 3.967 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1cccc(N2CCOC2=O)c1 ZINC000179285848 1139747402 /nfs/dbraw/zinc/74/74/02/1139747402.db2.gz UIFGVHHGCPKXOS-CYBMUJFWSA-N 1 2 336.395 3.703 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2scnc2C)c1 ZINC000179427458 1139756457 /nfs/dbraw/zinc/75/64/57/1139756457.db2.gz SSHQKHFHFBHNFD-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2scnc2C)c1 ZINC000179427458 1139756460 /nfs/dbraw/zinc/75/64/60/1139756460.db2.gz SSHQKHFHFBHNFD-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO FC(F)Oc1ccccc1[C@H](NCCCn1cc[nH+]c1)C(F)(F)F ZINC000179903687 1139791748 /nfs/dbraw/zinc/79/17/48/1139791748.db2.gz QGWZTLXNUJTQMT-ZDUSSCGKSA-N 1 2 349.303 3.768 20 0 EHADLO Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179911035 1139792317 /nfs/dbraw/zinc/79/23/17/1139792317.db2.gz LOHHWOMCNQYTAH-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1ccc(F)cc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179911035 1139792321 /nfs/dbraw/zinc/79/23/21/1139792321.db2.gz LOHHWOMCNQYTAH-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180268637 1139822964 /nfs/dbraw/zinc/82/29/64/1139822964.db2.gz NAUKCKWCHSJJEL-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180268637 1139822970 /nfs/dbraw/zinc/82/29/70/1139822970.db2.gz NAUKCKWCHSJJEL-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(C)o1 ZINC000180459573 1139837218 /nfs/dbraw/zinc/83/72/18/1139837218.db2.gz BQGZIUWASCMNJH-MRXNPFEDSA-N 1 2 348.468 3.839 20 0 EHADLO CCC(CC)n1nc(C(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000180513651 1139840028 /nfs/dbraw/zinc/84/00/28/1139840028.db2.gz UIAJABYASMOAGL-UHFFFAOYSA-N 1 2 343.475 3.570 20 0 EHADLO CCCCc1noc([C@H](C)[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)n1 ZINC000180635573 1139852245 /nfs/dbraw/zinc/85/22/45/1139852245.db2.gz XAPJXFPMLCHJDU-ZFWWWQNUSA-N 1 2 345.443 3.985 20 0 EHADLO CCCCCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000180723600 1139860054 /nfs/dbraw/zinc/86/00/54/1139860054.db2.gz JKPLDVCORTUBIU-UHFFFAOYSA-N 1 2 327.519 3.601 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCO[C@H](C)C2)on1 ZINC000180890456 1139870588 /nfs/dbraw/zinc/87/05/88/1139870588.db2.gz XXPOWUULLMDFJS-CQSZACIVSA-N 1 2 338.407 3.724 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCO[C@H](C)C2)on1 ZINC000180890456 1139870596 /nfs/dbraw/zinc/87/05/96/1139870596.db2.gz XXPOWUULLMDFJS-CQSZACIVSA-N 1 2 338.407 3.724 20 0 EHADLO C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC000181791644 1139930479 /nfs/dbraw/zinc/93/04/79/1139930479.db2.gz MKKNCXXDGZEBNW-AWEZNQCLSA-N 1 2 336.414 3.746 20 0 EHADLO Cc1nscc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000181792078 1139931690 /nfs/dbraw/zinc/93/16/90/1139931690.db2.gz QUWJNRQAPPBIRV-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cocn3)s2)cc1 ZINC000182076027 1139949279 /nfs/dbraw/zinc/94/92/79/1139949279.db2.gz KCFPNVXICLOBCO-NSHDSACASA-N 1 2 329.425 3.966 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2ncc(-c3ccccc3)o2)cc1 ZINC000182402143 1139970070 /nfs/dbraw/zinc/97/00/70/1139970070.db2.gz AZNJBTWOEUPPOI-SFHVURJKSA-N 1 2 338.407 3.564 20 0 EHADLO COCCOc1ccc([C@H](C)Nc2ccc([NH+](C)C)cc2)cc1OC ZINC000182489995 1139975881 /nfs/dbraw/zinc/97/58/81/1139975881.db2.gz PEMKYEZCOXCSRZ-HNNXBMFYSA-N 1 2 344.455 3.960 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cn(Cc3cccnc3)nn2)C2CC2)cc1C ZINC000183092894 1140012471 /nfs/dbraw/zinc/01/24/71/1140012471.db2.gz FECBEPQHIROWKI-UHFFFAOYSA-N 1 2 347.466 3.503 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C2CC2)cc1C ZINC000183092894 1140012475 /nfs/dbraw/zinc/01/24/75/1140012475.db2.gz FECBEPQHIROWKI-UHFFFAOYSA-N 1 2 347.466 3.503 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)s2)o1 ZINC000183180552 1140018394 /nfs/dbraw/zinc/01/83/94/1140018394.db2.gz ZMTHFQZHRBPTHN-LBPRGKRZSA-N 1 2 329.425 3.579 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)cnn1C ZINC000183409904 1140036036 /nfs/dbraw/zinc/03/60/36/1140036036.db2.gz WAIGDEBGKICYNN-VIFPVBQESA-N 1 2 338.333 3.739 20 0 EHADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183853873 1140061850 /nfs/dbraw/zinc/06/18/50/1140061850.db2.gz LKWIIOPHSBIAKO-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c1C ZINC000183968816 1140070523 /nfs/dbraw/zinc/07/05/23/1140070523.db2.gz YPXNLVBNUIYHDC-MFKMUULPSA-N 1 2 347.484 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c1C ZINC000183968816 1140070530 /nfs/dbraw/zinc/07/05/30/1140070530.db2.gz YPXNLVBNUIYHDC-MFKMUULPSA-N 1 2 347.484 3.597 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)s1 ZINC000183966543 1140070618 /nfs/dbraw/zinc/07/06/18/1140070618.db2.gz HBFYVQRHGRIAJO-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO OCC[C@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccco1 ZINC000184510951 1140106937 /nfs/dbraw/zinc/10/69/37/1140106937.db2.gz FKFPPNHGGOHDKQ-ZDUSSCGKSA-N 1 2 344.636 3.909 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccco1 ZINC000184517314 1140107014 /nfs/dbraw/zinc/10/70/14/1140107014.db2.gz BLFCDWCFCIHUNL-CYBMUJFWSA-N 1 2 328.181 3.659 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000184629680 1140112062 /nfs/dbraw/zinc/11/20/62/1140112062.db2.gz SIEKOHGPQDDVJF-AWEZNQCLSA-N 1 2 327.453 3.768 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)o1 ZINC000184826733 1140121379 /nfs/dbraw/zinc/12/13/79/1140121379.db2.gz MNHZTAFYVYSQAQ-GUYCJALGSA-N 1 2 348.418 3.594 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([C@@H]3C[C@@H]3C)o1)n2C ZINC000185839230 1140173071 /nfs/dbraw/zinc/17/30/71/1140173071.db2.gz RVYZLXOKWRZELZ-SWLSCSKDSA-N 1 2 325.412 3.588 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777422715 1140198213 /nfs/dbraw/zinc/19/82/13/1140198213.db2.gz TYNWDRZRXNJILZ-CABCVRRESA-N 1 2 344.833 3.867 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777422715 1140198215 /nfs/dbraw/zinc/19/82/15/1140198215.db2.gz TYNWDRZRXNJILZ-CABCVRRESA-N 1 2 344.833 3.867 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1nc2ccc(Cl)cc2n1C ZINC000186533916 1140208350 /nfs/dbraw/zinc/20/83/50/1140208350.db2.gz VAWFTSKAXNNDNI-RISCZKNCSA-N 1 2 333.819 3.594 20 0 EHADLO CSCC[C@@H](C)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189112393 1140321888 /nfs/dbraw/zinc/32/18/88/1140321888.db2.gz PSLACNVQLFATSH-SNVBAGLBSA-N 1 2 327.400 3.588 20 0 EHADLO CSCC[C@@H](C)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189112393 1140321896 /nfs/dbraw/zinc/32/18/96/1140321896.db2.gz PSLACNVQLFATSH-SNVBAGLBSA-N 1 2 327.400 3.588 20 0 EHADLO O[C@@H](C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000189339765 1140336251 /nfs/dbraw/zinc/33/62/51/1140336251.db2.gz RWHDYTHPQDEXFU-OLZOCXBDSA-N 1 2 339.810 3.743 20 0 EHADLO O[C@@H](C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000189339765 1140336257 /nfs/dbraw/zinc/33/62/57/1140336257.db2.gz RWHDYTHPQDEXFU-OLZOCXBDSA-N 1 2 339.810 3.743 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)cc(F)c1 ZINC000190436383 1140403840 /nfs/dbraw/zinc/40/38/40/1140403840.db2.gz VVVUREKBPKJZMP-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190726640 1140415392 /nfs/dbraw/zinc/41/53/92/1140415392.db2.gz MGLOLUINGIPSOS-UONOGXRCSA-N 1 2 345.443 3.878 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190726640 1140415394 /nfs/dbraw/zinc/41/53/94/1140415394.db2.gz MGLOLUINGIPSOS-UONOGXRCSA-N 1 2 345.443 3.878 20 0 EHADLO CC(=O)CC(C)(C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000191799025 1140485605 /nfs/dbraw/zinc/48/56/05/1140485605.db2.gz GAFCSFBOLIMKFV-UHFFFAOYSA-N 1 2 348.512 3.569 20 0 EHADLO CCCc1cnc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)s1 ZINC000191929429 1140494102 /nfs/dbraw/zinc/49/41/02/1140494102.db2.gz DLKWXONAFHVBGT-UHFFFAOYSA-N 1 2 349.504 3.799 20 0 EHADLO CCCCc1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192040494 1140499275 /nfs/dbraw/zinc/49/92/75/1140499275.db2.gz FNZORFVKHBAGRB-YOEHRIQHSA-N 1 2 335.835 3.685 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000192065011 1140501254 /nfs/dbraw/zinc/50/12/54/1140501254.db2.gz GIELVDSQFDIKJA-WKPIXPDZSA-N 1 2 333.819 3.781 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000192251017 1140514009 /nfs/dbraw/zinc/51/40/09/1140514009.db2.gz JPXQTAZXWFSPOQ-INIZCTEOSA-N 1 2 345.462 3.702 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccccc1F ZINC000192256856 1140514693 /nfs/dbraw/zinc/51/46/93/1140514693.db2.gz MAABJPNRBOPGLV-UHFFFAOYSA-N 1 2 345.462 3.801 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2sccc2[nH]1 ZINC000192256598 1140514888 /nfs/dbraw/zinc/51/48/88/1140514888.db2.gz YECOGVKCPZOZPM-UHFFFAOYSA-N 1 2 330.457 3.541 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC000192256662 1140515513 /nfs/dbraw/zinc/51/55/13/1140515513.db2.gz NULJBHSFIMVJKG-MRXNPFEDSA-N 1 2 345.462 3.702 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC000192258464 1140516685 /nfs/dbraw/zinc/51/66/85/1140516685.db2.gz ALXPOUGQQKIACZ-UHFFFAOYSA-N 1 2 347.890 3.970 20 0 EHADLO CC(C)c1cnc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000192388942 1140528166 /nfs/dbraw/zinc/52/81/66/1140528166.db2.gz CXESYBNWVTVYNU-CHWSQXEVSA-N 1 2 333.461 3.578 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ncc(CC)s1)CCC2 ZINC000192910976 1140554918 /nfs/dbraw/zinc/55/49/18/1140554918.db2.gz IVDUOUFTQYEQLJ-ZDUSSCGKSA-N 1 2 348.468 3.951 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1NCC1CCCCC1 ZINC000193791808 1140588003 /nfs/dbraw/zinc/58/80/03/1140588003.db2.gz XZJCUQJGTPCOAL-UHFFFAOYSA-N 1 2 340.471 3.984 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cnc(-c3ccco3)s2)oc1C ZINC000194317469 1140604691 /nfs/dbraw/zinc/60/46/91/1140604691.db2.gz MPWKLUFIKGBXEL-UHFFFAOYSA-N 1 2 346.408 3.723 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cnc(-c3ccco3)s2)oc1C ZINC000194317469 1140604692 /nfs/dbraw/zinc/60/46/92/1140604692.db2.gz MPWKLUFIKGBXEL-UHFFFAOYSA-N 1 2 346.408 3.723 20 0 EHADLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2sc(C)nc2C)n1 ZINC000266159507 1140649397 /nfs/dbraw/zinc/64/93/97/1140649397.db2.gz NAYFWOXFASXQPZ-LLVKDONJSA-N 1 2 344.440 3.669 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(C2CC2)[nH+]1 ZINC000267007090 1140750008 /nfs/dbraw/zinc/75/00/08/1140750008.db2.gz GTRQEXKRQDKTIG-NPMABZOXSA-N 1 2 329.469 3.597 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000267006471 1140750092 /nfs/dbraw/zinc/75/00/92/1140750092.db2.gz QBQHORFGAYDCTR-KFWWJZLASA-N 1 2 348.878 3.759 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2ccc(Br)s2)cs1 ZINC000267080004 1140757316 /nfs/dbraw/zinc/75/73/16/1140757316.db2.gz KDATVBRAQANHAF-QMMMGPOBSA-N 1 2 347.303 3.964 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267298433 1140776663 /nfs/dbraw/zinc/77/66/63/1140776663.db2.gz BZYWABBNVIWPKQ-YJBOKZPZSA-N 1 2 342.487 3.669 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267298433 1140776669 /nfs/dbraw/zinc/77/66/69/1140776669.db2.gz BZYWABBNVIWPKQ-YJBOKZPZSA-N 1 2 342.487 3.669 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cs1 ZINC000267666584 1140817380 /nfs/dbraw/zinc/81/73/80/1140817380.db2.gz YDPQOVNFUPTNIM-NSHDSACASA-N 1 2 346.431 3.670 20 0 EHADLO CCN(C(=O)C[N@H+](CC)Cc1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000268202491 1140902150 /nfs/dbraw/zinc/90/21/50/1140902150.db2.gz XVXQUQFEPPTEIA-MRXNPFEDSA-N 1 2 343.446 3.652 20 0 EHADLO CCN(C(=O)C[N@@H+](CC)Cc1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000268202491 1140902157 /nfs/dbraw/zinc/90/21/57/1140902157.db2.gz XVXQUQFEPPTEIA-MRXNPFEDSA-N 1 2 343.446 3.652 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1c(F)cccc1F ZINC000268372172 1140928313 /nfs/dbraw/zinc/92/83/13/1140928313.db2.gz VJRZTLKHOSWZPN-DVOMOZLQSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1ccc(Br)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268616197 1140962459 /nfs/dbraw/zinc/96/24/59/1140962459.db2.gz NJTRJNKRDMELLD-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1nnc2n1CCC2 ZINC000268735101 1140979318 /nfs/dbraw/zinc/97/93/18/1140979318.db2.gz BGJITFPPKBXGPA-HNNXBMFYSA-N 1 2 348.878 3.763 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)ccc2[nH+]1 ZINC000268739077 1140980408 /nfs/dbraw/zinc/98/04/08/1140980408.db2.gz HDLKFVITQRTHSF-KRWDZBQOSA-N 1 2 349.438 3.751 20 0 EHADLO c1ccc([C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)Cc3ccccc32)cc1 ZINC000269312318 1141091924 /nfs/dbraw/zinc/09/19/24/1141091924.db2.gz GFEVQAPUYSPLMT-FQEVSTJZSA-N 1 2 344.462 3.762 20 0 EHADLO c1ccc([C@@H]2C[N@H+](Cc3nnc4n3CCCC4)Cc3ccccc32)cc1 ZINC000269312318 1141091932 /nfs/dbraw/zinc/09/19/32/1141091932.db2.gz GFEVQAPUYSPLMT-FQEVSTJZSA-N 1 2 344.462 3.762 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nnc2n1CCCCC2 ZINC000269482879 1141113732 /nfs/dbraw/zinc/11/37/32/1141113732.db2.gz KSLDNPHQWROGJO-UHFFFAOYSA-N 1 2 348.878 3.559 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nnc2n1CCCCC2 ZINC000269482879 1141113736 /nfs/dbraw/zinc/11/37/36/1141113736.db2.gz KSLDNPHQWROGJO-UHFFFAOYSA-N 1 2 348.878 3.559 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000269754642 1141141370 /nfs/dbraw/zinc/14/13/70/1141141370.db2.gz TYPRVWTYKQXMQZ-CHWSQXEVSA-N 1 2 333.382 3.588 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000269783286 1141143963 /nfs/dbraw/zinc/14/39/63/1141143963.db2.gz CPWGANOVUREQIG-IBGZPJMESA-N 1 2 325.456 3.677 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)s1 ZINC000270018908 1141167876 /nfs/dbraw/zinc/16/78/76/1141167876.db2.gz WEUKPIDYHDQZBA-UHFFFAOYSA-N 1 2 345.390 3.866 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(NCc3ccco3)s2)c1 ZINC000270131157 1141183454 /nfs/dbraw/zinc/18/34/54/1141183454.db2.gz NRPMXNWDBKFSMP-UHFFFAOYSA-N 1 2 348.453 3.748 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270149695 1141185179 /nfs/dbraw/zinc/18/51/79/1141185179.db2.gz VFOVJZFTJUYVGY-GXTWGEPZSA-N 1 2 349.504 3.563 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270346176 1141209900 /nfs/dbraw/zinc/20/99/00/1141209900.db2.gz VMOMAEDCMYFEQH-LBPRGKRZSA-N 1 2 344.352 3.540 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270346176 1141209902 /nfs/dbraw/zinc/20/99/02/1141209902.db2.gz VMOMAEDCMYFEQH-LBPRGKRZSA-N 1 2 344.352 3.540 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000271043963 1141299664 /nfs/dbraw/zinc/29/96/64/1141299664.db2.gz KTFIICUYBYYHNY-UHFFFAOYSA-N 1 2 346.368 3.581 20 0 EHADLO CC(C)c1nnc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000271094964 1141306963 /nfs/dbraw/zinc/30/69/63/1141306963.db2.gz YIMDKNRTOWGVDT-UHFFFAOYSA-N 1 2 335.411 3.720 20 0 EHADLO CCN(CC)[C@H](C[NH2+][C@H](C)c1cscn1)c1cccc(OC)c1 ZINC000271113330 1141309519 /nfs/dbraw/zinc/30/95/19/1141309519.db2.gz HVKZYORCVXUBSB-RDTXWAMCSA-N 1 2 333.501 3.885 20 0 EHADLO COc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1OC(F)F ZINC000271199093 1141322991 /nfs/dbraw/zinc/32/29/91/1141322991.db2.gz OSYGJUPVQKBLNM-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO COc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1OC(F)F ZINC000271199093 1141322998 /nfs/dbraw/zinc/32/29/98/1141322998.db2.gz OSYGJUPVQKBLNM-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO C[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000274278561 1141492621 /nfs/dbraw/zinc/49/26/21/1141492621.db2.gz COKLRLPFAGDTAN-BXUZGUMPSA-N 1 2 325.243 3.668 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2nc(Cl)ccc2Cl)cc1 ZINC000274321691 1141497496 /nfs/dbraw/zinc/49/74/96/1141497496.db2.gz OWHJKMBNVQXHNM-CQSZACIVSA-N 1 2 341.238 3.610 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)on2)cn1 ZINC000274413730 1141521107 /nfs/dbraw/zinc/52/11/07/1141521107.db2.gz MQQPEFGCJGLYQK-KRWDZBQOSA-N 1 2 328.803 3.676 20 0 EHADLO Cn1cc(-c2cc(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)on2)cn1 ZINC000274413730 1141521110 /nfs/dbraw/zinc/52/11/10/1141521110.db2.gz MQQPEFGCJGLYQK-KRWDZBQOSA-N 1 2 328.803 3.676 20 0 EHADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431814 1141527461 /nfs/dbraw/zinc/52/74/61/1141527461.db2.gz GZPRCNWYCKNNIZ-ZBFHGGJFSA-N 1 2 340.475 3.583 20 0 EHADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431814 1141527464 /nfs/dbraw/zinc/52/74/64/1141527464.db2.gz GZPRCNWYCKNNIZ-ZBFHGGJFSA-N 1 2 340.475 3.583 20 0 EHADLO CCOc1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000274466229 1141537265 /nfs/dbraw/zinc/53/72/65/1141537265.db2.gz WGIGFDDMCMAKKT-FNORWQNLSA-N 1 2 339.439 3.536 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000283062847 1141546199 /nfs/dbraw/zinc/54/61/99/1141546199.db2.gz CMIXWWJJANGDNJ-INIZCTEOSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000348814770 1141586106 /nfs/dbraw/zinc/58/61/06/1141586106.db2.gz IBPRXCNBFNSQOT-ZDUSSCGKSA-N 1 2 327.306 3.614 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000348814770 1141586108 /nfs/dbraw/zinc/58/61/08/1141586108.db2.gz IBPRXCNBFNSQOT-ZDUSSCGKSA-N 1 2 327.306 3.614 20 0 EHADLO CSCC(C)(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000283375342 1141611943 /nfs/dbraw/zinc/61/19/43/1141611943.db2.gz CVINKZXQUQWCNF-UHFFFAOYSA-N 1 2 341.480 3.930 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[C@H]3C)c2)cc[nH+]1 ZINC000536092961 478241092 /nfs/dbraw/zinc/24/10/92/478241092.db2.gz COUJOBVUMPLNRA-RDTXWAMCSA-N 1 2 338.455 3.563 20 0 EHADLO C[C@H](Nc1nc2ccccc2o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525460774 478392954 /nfs/dbraw/zinc/39/29/54/478392954.db2.gz OORPTBVPIZKSOY-HNAYVOBHSA-N 1 2 337.423 3.529 20 0 EHADLO C[C@H](Nc1nc2ccccc2o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525460774 478392961 /nfs/dbraw/zinc/39/29/61/478392961.db2.gz OORPTBVPIZKSOY-HNAYVOBHSA-N 1 2 337.423 3.529 20 0 EHADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1ccccc1N1CCCCC1 ZINC000032060018 527320552 /nfs/dbraw/zinc/32/05/52/527320552.db2.gz XXFUDZULRNCCEF-UHFFFAOYSA-N 1 2 334.423 3.506 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277782853 564138207 /nfs/dbraw/zinc/13/82/07/564138207.db2.gz MMJFIEYFQZAWFG-LBPRGKRZSA-N 1 2 341.381 3.586 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277782853 564138208 /nfs/dbraw/zinc/13/82/08/564138208.db2.gz MMJFIEYFQZAWFG-LBPRGKRZSA-N 1 2 341.381 3.586 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000822757651 607070923 /nfs/dbraw/zinc/07/09/23/607070923.db2.gz BARVPTTYZYJSOL-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000822757651 607070925 /nfs/dbraw/zinc/07/09/25/607070925.db2.gz BARVPTTYZYJSOL-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Cc1cc(N[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)ccc1[NH+](C)C ZINC000826271633 609277606 /nfs/dbraw/zinc/27/76/06/609277606.db2.gz ZPBUTEMZMQVYES-SFHVURJKSA-N 1 2 348.454 3.731 20 0 EHADLO Clc1cnc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000182431432 1032058920 /nfs/dbraw/zinc/05/89/20/1032058920.db2.gz IBEABZYWDADLNL-CQSZACIVSA-N 1 2 345.270 3.548 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)n(C2CCCC2)n1 ZINC000449028093 1032060452 /nfs/dbraw/zinc/06/04/52/1032060452.db2.gz KDPUIPBGCFZNRI-OAQYLSRUSA-N 1 2 337.467 3.672 20 0 EHADLO c1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)n(C2CCCC2)n1 ZINC000449028093 1032060467 /nfs/dbraw/zinc/06/04/67/1032060467.db2.gz KDPUIPBGCFZNRI-OAQYLSRUSA-N 1 2 337.467 3.672 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000536659774 1032072731 /nfs/dbraw/zinc/07/27/31/1032072731.db2.gz WQJJVDZWRMNVEW-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000536659774 1032072745 /nfs/dbraw/zinc/07/27/45/1032072745.db2.gz WQJJVDZWRMNVEW-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Br)cs3)ccc2[nH+]1 ZINC000339267057 1014133690 /nfs/dbraw/zinc/13/36/90/1014133690.db2.gz XORFXNJGGCOWKN-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO C[C@@H](C(=O)Nc1nc(-c2ccccc2)co1)[N@@H+]1CCc2ccccc2C1 ZINC000339413946 1014377283 /nfs/dbraw/zinc/37/72/83/1014377283.db2.gz XMCUNRPLWCEHLV-HNNXBMFYSA-N 1 2 347.418 3.727 20 0 EHADLO C[C@@H](C(=O)Nc1nc(-c2ccccc2)co1)[N@H+]1CCc2ccccc2C1 ZINC000339413946 1014377295 /nfs/dbraw/zinc/37/72/95/1014377295.db2.gz XMCUNRPLWCEHLV-HNNXBMFYSA-N 1 2 347.418 3.727 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339444901 1014500079 /nfs/dbraw/zinc/50/00/79/1014500079.db2.gz QKPZRCZOIRXSKK-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000339444901 1014500089 /nfs/dbraw/zinc/50/00/89/1014500089.db2.gz QKPZRCZOIRXSKK-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000339465173 1014535439 /nfs/dbraw/zinc/53/54/39/1014535439.db2.gz BXRUFDIGFDKSOB-MRXNPFEDSA-N 1 2 343.496 3.652 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000654928578 1014616157 /nfs/dbraw/zinc/61/61/57/1014616157.db2.gz BMLMFSCIEDBBHQ-LBPRGKRZSA-N 1 2 331.391 3.688 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000654928578 1014616161 /nfs/dbraw/zinc/61/61/61/1014616161.db2.gz BMLMFSCIEDBBHQ-LBPRGKRZSA-N 1 2 331.391 3.688 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1(C2CCC2)CCC1 ZINC000654990044 1014753984 /nfs/dbraw/zinc/75/39/84/1014753984.db2.gz YDDVYURDEGXJDW-UHFFFAOYSA-N 1 2 342.487 3.594 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654996612 1014765482 /nfs/dbraw/zinc/76/54/82/1014765482.db2.gz IZNBQXILKGUJBL-DZGCQCFKSA-N 1 2 335.398 3.502 20 0 EHADLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)c(C)c1Br ZINC000784931724 1014826665 /nfs/dbraw/zinc/82/66/65/1014826665.db2.gz SFEDUORLHSZLSF-UHFFFAOYSA-N 1 2 337.217 3.510 20 0 EHADLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc(C)c1F ZINC001143374191 1014828709 /nfs/dbraw/zinc/82/87/09/1014828709.db2.gz OECOSCMBZQOLQT-IYBDPMFKSA-N 1 2 334.435 3.636 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc(C)c1F ZINC001143374191 1014828724 /nfs/dbraw/zinc/82/87/24/1014828724.db2.gz OECOSCMBZQOLQT-IYBDPMFKSA-N 1 2 334.435 3.636 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC(C)(C)C)C[C@H](C)O1 ZINC000047063064 1014862122 /nfs/dbraw/zinc/86/21/22/1014862122.db2.gz XGYASZYUQVYSDI-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC(C)(C)C)C[C@H](C)O1 ZINC000047063064 1014862134 /nfs/dbraw/zinc/86/21/34/1014862134.db2.gz XGYASZYUQVYSDI-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547673619 1014975279 /nfs/dbraw/zinc/97/52/79/1014975279.db2.gz JKNOZLJYTHXBHC-PBHICJAKSA-N 1 2 346.500 3.736 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C2CC2)c(C)c1 ZINC000579821196 1014984245 /nfs/dbraw/zinc/98/42/45/1014984245.db2.gz ZCRAGXIFGYDLAV-APWZRJJASA-N 1 2 340.471 3.681 20 0 EHADLO CC(C)C[N@H+](C)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000065943749 1015000488 /nfs/dbraw/zinc/00/04/88/1015000488.db2.gz KTSGJQNLJXCZNS-UHFFFAOYSA-N 1 2 341.864 3.983 20 0 EHADLO CC(C)C[N@@H+](C)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000065943749 1015000504 /nfs/dbraw/zinc/00/05/04/1015000504.db2.gz KTSGJQNLJXCZNS-UHFFFAOYSA-N 1 2 341.864 3.983 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cncn2C)ccc1Br ZINC000430211816 1015009929 /nfs/dbraw/zinc/00/99/29/1015009929.db2.gz AZIRWNOZQZKXJU-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cncn2C)ccc1Br ZINC000430211816 1015009940 /nfs/dbraw/zinc/00/99/40/1015009940.db2.gz AZIRWNOZQZKXJU-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430242982 1015207511 /nfs/dbraw/zinc/20/75/11/1015207511.db2.gz KIYQKSKZVRUUKW-GOSISDBHSA-N 1 2 338.480 3.897 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430242982 1015207516 /nfs/dbraw/zinc/20/75/16/1015207516.db2.gz KIYQKSKZVRUUKW-GOSISDBHSA-N 1 2 338.480 3.897 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000154229149 1015253015 /nfs/dbraw/zinc/25/30/15/1015253015.db2.gz NDQBWVNCTFMXPL-VXNCWWDNSA-N 1 2 340.471 3.668 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471187398 1015386804 /nfs/dbraw/zinc/38/68/04/1015386804.db2.gz QDIBQTLJUFVHSK-INIZCTEOSA-N 1 2 330.815 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471187398 1015386817 /nfs/dbraw/zinc/38/68/17/1015386817.db2.gz QDIBQTLJUFVHSK-INIZCTEOSA-N 1 2 330.815 3.734 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045407957 1015398998 /nfs/dbraw/zinc/39/89/98/1015398998.db2.gz BHYJQYSVAGWMTM-BBRMVZONSA-N 1 2 334.851 3.622 20 0 EHADLO C[C@H](C(=O)Nc1cccc(CCC(F)(F)F)c1)[NH+]1CCSCC1 ZINC000153503682 1125505783 /nfs/dbraw/zinc/50/57/83/1125505783.db2.gz IYGZFAVYXUMQAB-GFCCVEGCSA-N 1 2 346.418 3.557 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C)[nH]1 ZINC000339659352 1015476836 /nfs/dbraw/zinc/47/68/36/1015476836.db2.gz YQSVNZJWUAMIRL-MRXNPFEDSA-N 1 2 332.831 3.621 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C)[nH]1 ZINC000339659352 1015476840 /nfs/dbraw/zinc/47/68/40/1015476840.db2.gz YQSVNZJWUAMIRL-MRXNPFEDSA-N 1 2 332.831 3.621 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000536678522 1032118283 /nfs/dbraw/zinc/11/82/83/1032118283.db2.gz FGNKIZYKZFNUKJ-OAQYLSRUSA-N 1 2 333.435 3.620 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000536678522 1032118297 /nfs/dbraw/zinc/11/82/97/1032118297.db2.gz FGNKIZYKZFNUKJ-OAQYLSRUSA-N 1 2 333.435 3.620 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000182688926 1032120834 /nfs/dbraw/zinc/12/08/34/1032120834.db2.gz XKUGEIPJXDWQAT-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000182688926 1032120845 /nfs/dbraw/zinc/12/08/45/1032120845.db2.gz XKUGEIPJXDWQAT-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO O=C(NCC12CCC(CC1)C2)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000339746848 1015642578 /nfs/dbraw/zinc/64/25/78/1015642578.db2.gz ZXLNSJAIONCEMQ-UHFFFAOYSA-N 1 2 348.516 3.831 20 0 EHADLO C[N@H+](CCC[NH+]1CCCC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598478623 992114210 /nfs/dbraw/zinc/11/42/10/992114210.db2.gz KQMAIURJHGBASB-HNNXBMFYSA-N 1 2 345.270 3.537 20 0 EHADLO C[N@@H+](CCC[NH+]1CCCC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598478623 992114216 /nfs/dbraw/zinc/11/42/16/992114216.db2.gz KQMAIURJHGBASB-HNNXBMFYSA-N 1 2 345.270 3.537 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C[C@@H]2C=CCCC2)c1)[NH+]1CCOCC1 ZINC000275000803 1015733976 /nfs/dbraw/zinc/73/39/76/1015733976.db2.gz KJFLGKUIUBRDKF-DLBZAZTESA-N 1 2 328.456 3.765 20 0 EHADLO Cc1cccnc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339846579 1015740998 /nfs/dbraw/zinc/74/09/98/1015740998.db2.gz LLDTYTRLHPREFJ-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)[nH+]c12 ZINC000546719200 1032127923 /nfs/dbraw/zinc/12/79/23/1032127923.db2.gz XGHKAYAYFCFTAY-IAGOWNOFSA-N 1 2 327.472 3.906 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3occc3C(C)C)CC2)c1 ZINC000339888664 1015824206 /nfs/dbraw/zinc/82/42/06/1015824206.db2.gz AMIKSEYBLNDYPY-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2occc2C(C)C)CC1 ZINC000339888787 1015825321 /nfs/dbraw/zinc/82/53/21/1015825321.db2.gz JFACOWWVQSVBFC-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000154898903 1015916122 /nfs/dbraw/zinc/91/61/22/1015916122.db2.gz SGJTWBDXGCJTTJ-VQTJNVASSA-N 1 2 333.435 3.689 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccs3)n2)cc1 ZINC000016434848 1015924579 /nfs/dbraw/zinc/92/45/79/1015924579.db2.gz RDLROOXRRCGRLG-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccs3)n2)cc1 ZINC000016434848 1015924585 /nfs/dbraw/zinc/92/45/85/1015924585.db2.gz RDLROOXRRCGRLG-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO c1cn(C2CCN(c3nccc(-c4c[nH]c5ccccc54)n3)CC2)c[nH+]1 ZINC001167126479 1016211617 /nfs/dbraw/zinc/21/16/17/1016211617.db2.gz WIUNFGXKGFRWII-UHFFFAOYSA-N 1 2 344.422 3.663 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000668270213 1016236882 /nfs/dbraw/zinc/23/68/82/1016236882.db2.gz DHLRLFWXOQPOOP-NSHDSACASA-N 1 2 335.860 3.850 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000683342237 1016274062 /nfs/dbraw/zinc/27/40/62/1016274062.db2.gz OYXULLWVBTWALN-UHFFFAOYSA-N 1 2 330.388 3.565 20 0 EHADLO Cc1cc(N2CCO[C@@](C)(c3ccc(F)cc3)C2)nc(C2CC2)[nH+]1 ZINC001167141914 1016293261 /nfs/dbraw/zinc/29/32/61/1016293261.db2.gz XUKZWBUDCVPAAN-LJQANCHMSA-N 1 2 327.403 3.554 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000683351369 1016308555 /nfs/dbraw/zinc/30/85/55/1016308555.db2.gz CWPIPMVICGDPLU-CQSZACIVSA-N 1 2 330.432 3.678 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000683351369 1016308563 /nfs/dbraw/zinc/30/85/63/1016308563.db2.gz CWPIPMVICGDPLU-CQSZACIVSA-N 1 2 330.432 3.678 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155278808 1016406180 /nfs/dbraw/zinc/40/61/80/1016406180.db2.gz SEUGKGYLTBDCPW-VIFPVBQESA-N 1 2 333.304 3.910 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155278808 1016406186 /nfs/dbraw/zinc/40/61/86/1016406186.db2.gz SEUGKGYLTBDCPW-VIFPVBQESA-N 1 2 333.304 3.910 20 0 EHADLO CC1=C(C)C[C@H](C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000648305900 1016504889 /nfs/dbraw/zinc/50/48/89/1016504889.db2.gz ATVZNWWPORGKKI-RTBURBONSA-N 1 2 337.467 3.957 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000080562500 1032148219 /nfs/dbraw/zinc/14/82/19/1032148219.db2.gz BJMJLDVZVSPGMB-MRXNPFEDSA-N 1 2 334.851 3.623 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](OC)C1CCCC1 ZINC001167199771 1016556824 /nfs/dbraw/zinc/55/68/24/1016556824.db2.gz VSEUFXPZWXIEMZ-QGZVFWFLSA-N 1 2 339.863 3.520 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](OC)C1CCCC1 ZINC001167199771 1016556835 /nfs/dbraw/zinc/55/68/35/1016556835.db2.gz VSEUFXPZWXIEMZ-QGZVFWFLSA-N 1 2 339.863 3.520 20 0 EHADLO COc1ccc2[nH+]c(N3CCC4(C[C@@H](F)CO4)CC3)cc(C)c2c1 ZINC001167209214 1016588041 /nfs/dbraw/zinc/58/80/41/1016588041.db2.gz BWUXCGUTKKELLH-CQSZACIVSA-N 1 2 330.403 3.649 20 0 EHADLO CC(C)c1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000275369962 1016593254 /nfs/dbraw/zinc/59/32/54/1016593254.db2.gz XVCLEZXNTRVIKD-SJLPKXTDSA-N 1 2 342.443 3.585 20 0 EHADLO Oc1ccc(F)c(C[NH2+]Cc2ccc(Br)cc2)c1F ZINC000510239533 1016610664 /nfs/dbraw/zinc/61/06/64/1016610664.db2.gz IFIUTSSDLRYTDE-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cs1 ZINC000340189961 1016653698 /nfs/dbraw/zinc/65/36/98/1016653698.db2.gz APYZDIWDLKXBLA-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cs1 ZINC000340189961 1016653711 /nfs/dbraw/zinc/65/37/11/1016653711.db2.gz APYZDIWDLKXBLA-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO CN(C)CC1([NH2+]Cc2ccc(Cl)cc2Br)CCC1 ZINC000393515624 1039483459 /nfs/dbraw/zinc/48/34/59/1039483459.db2.gz BZLGJJMJBNVSAR-UHFFFAOYSA-N 1 2 331.685 3.676 20 0 EHADLO O=C1[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)C[C@H]2CCCCN12 ZINC000413379674 1016738838 /nfs/dbraw/zinc/73/88/38/1016738838.db2.gz MVSCMUGIIRYOKI-HWPZZCPQSA-N 1 2 333.794 3.593 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ncnn1C(C)(C)C ZINC000376600494 1016773218 /nfs/dbraw/zinc/77/32/18/1016773218.db2.gz SSGCVWDMTODARS-OAHLLOKOSA-N 1 2 348.878 3.998 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCOc3ccccc3Cl)cc2[nH+]1 ZINC000046326163 1016823683 /nfs/dbraw/zinc/82/36/83/1016823683.db2.gz LMNVRCGHZDXXGW-UHFFFAOYSA-N 1 2 329.787 3.932 20 0 EHADLO COc1cc([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc2ccccc21 ZINC000890792762 1016873123 /nfs/dbraw/zinc/87/31/23/1016873123.db2.gz AYPJCMMARZLNNZ-HUUCEWRRSA-N 1 2 337.423 3.873 20 0 EHADLO Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1N(C)C ZINC001210042118 1016972530 /nfs/dbraw/zinc/97/25/30/1016972530.db2.gz WDOLDFYFEIWMAA-UHFFFAOYSA-N 1 2 325.456 3.637 20 0 EHADLO CCCOc1c(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cccc1OCC ZINC000121232430 1016972942 /nfs/dbraw/zinc/97/29/42/1016972942.db2.gz ROCURSWFPVLDNH-MRXNPFEDSA-N 1 2 343.471 3.977 20 0 EHADLO CCCOc1c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cccc1OCC ZINC000121232430 1016972949 /nfs/dbraw/zinc/97/29/49/1016972949.db2.gz ROCURSWFPVLDNH-MRXNPFEDSA-N 1 2 343.471 3.977 20 0 EHADLO Cc1coc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC001266485097 1016987085 /nfs/dbraw/zinc/98/70/85/1016987085.db2.gz RPCKFDFKGZUPKN-GOSISDBHSA-N 1 2 337.423 3.881 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cc(C3CC3)no2)C2CC2)c1 ZINC000659810786 1017056579 /nfs/dbraw/zinc/05/65/79/1017056579.db2.gz BDIHMFTWOOIULG-UHFFFAOYSA-N 1 2 328.412 3.734 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cc(C3CC3)no2)C2CC2)c1 ZINC000659810786 1017056592 /nfs/dbraw/zinc/05/65/92/1017056592.db2.gz BDIHMFTWOOIULG-UHFFFAOYSA-N 1 2 328.412 3.734 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343749482 1032162847 /nfs/dbraw/zinc/16/28/47/1032162847.db2.gz XMBUGBVTHJYCHD-SECBINFHSA-N 1 2 341.242 3.758 20 0 EHADLO Fc1ccc(-n2cc(C[N@H+](CCC(F)(F)F)CC3CC3)nn2)cc1 ZINC000628190140 1032174226 /nfs/dbraw/zinc/17/42/26/1032174226.db2.gz XKWPVPGBUZZCQU-UHFFFAOYSA-N 1 2 342.340 3.571 20 0 EHADLO Fc1ccc(-n2cc(C[N@@H+](CCC(F)(F)F)CC3CC3)nn2)cc1 ZINC000628190140 1032174231 /nfs/dbraw/zinc/17/42/31/1032174231.db2.gz XKWPVPGBUZZCQU-UHFFFAOYSA-N 1 2 342.340 3.571 20 0 EHADLO CCCc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n[nH]1 ZINC000683514995 1017236653 /nfs/dbraw/zinc/23/66/53/1017236653.db2.gz LJQCSODZUVQZAW-UHFFFAOYSA-N 1 2 349.438 3.814 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910503 1032201604 /nfs/dbraw/zinc/20/16/04/1032201604.db2.gz NFDGKTUOBLYQAT-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910503 1032201620 /nfs/dbraw/zinc/20/16/20/1032201620.db2.gz NFDGKTUOBLYQAT-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(-c4ccc[nH]4)cc3)[nH+]c12 ZINC000538220466 1032222620 /nfs/dbraw/zinc/22/26/20/1032222620.db2.gz ODYZWUFRNVEPNV-UHFFFAOYSA-N 1 2 330.391 3.819 20 0 EHADLO Cc1c(CNC(=O)NCc2c[nH+]cn2C)sc2ccc(Cl)cc12 ZINC000358092440 1032224971 /nfs/dbraw/zinc/22/49/71/1032224971.db2.gz LFCGBXHVAQRGPG-UHFFFAOYSA-N 1 2 348.859 3.596 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)CCn3cc[nH+]c3)cc2s1 ZINC000080968624 1032233119 /nfs/dbraw/zinc/23/31/19/1032233119.db2.gz FQFZWJZUOBGPJE-UHFFFAOYSA-N 1 2 328.441 3.819 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1nc(C(F)(F)F)cs1 ZINC000459509903 1032233773 /nfs/dbraw/zinc/23/37/73/1032233773.db2.gz WHXZFQKBXXWBBF-QMMMGPOBSA-N 1 2 328.363 3.680 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1[C@H]1CCCO1 ZINC000329776910 1032238583 /nfs/dbraw/zinc/23/85/83/1032238583.db2.gz KGFOEQGEGBSCBM-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1[C@H]1CCCO1 ZINC000329776910 1032238595 /nfs/dbraw/zinc/23/85/95/1032238595.db2.gz KGFOEQGEGBSCBM-ZBFHGGJFSA-N 1 2 347.846 3.779 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000538275002 1032263433 /nfs/dbraw/zinc/26/34/33/1032263433.db2.gz PTGMSSHNUYJBPH-CDHQVMDDSA-N 1 2 345.462 3.834 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(O)c1Br ZINC000459551938 1032268541 /nfs/dbraw/zinc/26/85/41/1032268541.db2.gz UMDJHWBCFYDJOF-UHFFFAOYSA-N 1 2 339.233 3.784 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000568752562 1032268957 /nfs/dbraw/zinc/26/89/57/1032268957.db2.gz RDUQOGRCUNKCKP-MAUKXSAKSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1ncc(CNc2[nH+]c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000184253300 1032276542 /nfs/dbraw/zinc/27/65/42/1032276542.db2.gz XQQICPDTZOCMEJ-UHFFFAOYSA-N 1 2 335.386 3.819 20 0 EHADLO C[C@H](CC(=O)NCCCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000536783218 1032278327 /nfs/dbraw/zinc/27/83/27/1032278327.db2.gz IWECEJJFBPDYIJ-HNNXBMFYSA-N 1 2 333.863 3.702 20 0 EHADLO CCn1nccc1CNc1[nH+]c2ccc(Br)cc2n1CC ZINC000184257464 1032279281 /nfs/dbraw/zinc/27/92/81/1032279281.db2.gz FHANTMHRASPSEW-UHFFFAOYSA-N 1 2 348.248 3.647 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ncccc3Cl)C2)n1 ZINC000528443805 1032285924 /nfs/dbraw/zinc/28/59/24/1032285924.db2.gz SMUIMHMQEPXLPN-LLVKDONJSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ncccc3Cl)C2)n1 ZINC000528443805 1032285937 /nfs/dbraw/zinc/28/59/37/1032285937.db2.gz SMUIMHMQEPXLPN-LLVKDONJSA-N 1 2 344.768 3.787 20 0 EHADLO COc1ccc(N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000459576587 1032302822 /nfs/dbraw/zinc/30/28/22/1032302822.db2.gz GLNHXUXMATWFCF-UHFFFAOYSA-N 1 2 329.400 3.692 20 0 EHADLO CCSc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000081402434 1032312025 /nfs/dbraw/zinc/31/20/25/1032312025.db2.gz PCNLGWFUFYHSAJ-GOSISDBHSA-N 1 2 341.480 3.797 20 0 EHADLO CCSc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000081402434 1032312039 /nfs/dbraw/zinc/31/20/39/1032312039.db2.gz PCNLGWFUFYHSAJ-GOSISDBHSA-N 1 2 341.480 3.797 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459595280 1032316281 /nfs/dbraw/zinc/31/62/81/1032316281.db2.gz RSCGQXZLNGPMRE-KRWDZBQOSA-N 1 2 343.862 3.985 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459595280 1032316296 /nfs/dbraw/zinc/31/62/96/1032316296.db2.gz RSCGQXZLNGPMRE-KRWDZBQOSA-N 1 2 343.862 3.985 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886409 1032329647 /nfs/dbraw/zinc/32/96/47/1032329647.db2.gz KYSORGOSHGBXRO-KBPBESRZSA-N 1 2 329.444 3.686 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899933 1032329664 /nfs/dbraw/zinc/32/96/64/1032329664.db2.gz BRIAATPHCHDRFS-UONOGXRCSA-N 1 2 329.444 3.686 20 0 EHADLO c1cc2[nH+]ccc(NCc3nc(COc4ccccc4)n[nH]3)c2s1 ZINC000184778379 1032333340 /nfs/dbraw/zinc/33/33/40/1032333340.db2.gz JXZAXURDKVALSJ-UHFFFAOYSA-N 1 2 337.408 3.606 20 0 EHADLO Cc1cccn2cc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)nc12 ZINC000449224257 1032342071 /nfs/dbraw/zinc/34/20/71/1032342071.db2.gz LCHVDFYAUPSLNV-CQSZACIVSA-N 1 2 331.341 3.837 20 0 EHADLO c1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)n(C2CCCC2)n1 ZINC000449224425 1032342719 /nfs/dbraw/zinc/34/27/19/1032342719.db2.gz HYDVKHIYKFGQTC-UHFFFAOYSA-N 1 2 347.466 3.742 20 0 EHADLO c1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)n(C2CCCC2)n1 ZINC000449224425 1032342731 /nfs/dbraw/zinc/34/27/31/1032342731.db2.gz HYDVKHIYKFGQTC-UHFFFAOYSA-N 1 2 347.466 3.742 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459631268 1032348557 /nfs/dbraw/zinc/34/85/57/1032348557.db2.gz KCVGFPPINQXXGU-LLVKDONJSA-N 1 2 349.887 3.883 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000538409307 1032351553 /nfs/dbraw/zinc/35/15/53/1032351553.db2.gz LMAKJSWSLYNQQZ-UHFFFAOYSA-N 1 2 340.492 3.974 20 0 EHADLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449254178 1032360103 /nfs/dbraw/zinc/36/01/03/1032360103.db2.gz WKVUMYAOROUKBI-HNNXBMFYSA-N 1 2 340.496 3.855 20 0 EHADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449254178 1032360117 /nfs/dbraw/zinc/36/01/17/1032360117.db2.gz WKVUMYAOROUKBI-HNNXBMFYSA-N 1 2 340.496 3.855 20 0 EHADLO CC[C@H](CC(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000449254514 1032361410 /nfs/dbraw/zinc/36/14/10/1032361410.db2.gz YKIUTCGQRMMDOJ-GOSISDBHSA-N 1 2 327.472 3.662 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000449256157 1032365360 /nfs/dbraw/zinc/36/53/60/1032365360.db2.gz HNGBVPXSHVPOMH-SFHVURJKSA-N 1 2 328.481 3.539 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000449256157 1032365369 /nfs/dbraw/zinc/36/53/69/1032365369.db2.gz HNGBVPXSHVPOMH-SFHVURJKSA-N 1 2 328.481 3.539 20 0 EHADLO CC(C)[C@H](SCc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799648 1032366482 /nfs/dbraw/zinc/36/64/82/1032366482.db2.gz ZXYCTDIFZDSNHN-AEFFLSMTSA-N 1 2 345.512 3.593 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)co1 ZINC000528486161 1032374052 /nfs/dbraw/zinc/37/40/52/1032374052.db2.gz DZFUMCUKXVFZLA-BCDXTJNWSA-N 1 2 345.464 3.594 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)co1 ZINC000528486161 1032374058 /nfs/dbraw/zinc/37/40/58/1032374058.db2.gz DZFUMCUKXVFZLA-BCDXTJNWSA-N 1 2 345.464 3.594 20 0 EHADLO O=C1NCCc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc21 ZINC000449240627 1032374197 /nfs/dbraw/zinc/37/41/97/1032374197.db2.gz ZXNMNWHLSMFURT-UHFFFAOYSA-N 1 2 341.263 3.631 20 0 EHADLO COc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)cc(OC)c1Cl ZINC000459652946 1032374471 /nfs/dbraw/zinc/37/44/71/1032374471.db2.gz ALBSLBZZVBIICS-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000536872933 1032374961 /nfs/dbraw/zinc/37/49/61/1032374961.db2.gz XZNWXXIODQWYCU-BMIGLBTASA-N 1 2 343.320 3.950 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2c(c1)CCCC2 ZINC000538500465 1032400296 /nfs/dbraw/zinc/40/02/96/1032400296.db2.gz HBEBDIWLFKVMIU-MRXNPFEDSA-N 1 2 337.467 3.970 20 0 EHADLO CCCc1cnc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)s1 ZINC000538485589 1032404071 /nfs/dbraw/zinc/40/40/71/1032404071.db2.gz ZRUZEIUBQHMUCG-AWEZNQCLSA-N 1 2 337.876 3.990 20 0 EHADLO COc1nccnc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000449285291 1032404994 /nfs/dbraw/zinc/40/49/94/1032404994.db2.gz CXBDCTSMWPLTJS-ZDUSSCGKSA-N 1 2 325.334 3.577 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H]3CCCc4sccc43)[nH]2)cc1 ZINC000536906905 1032420179 /nfs/dbraw/zinc/42/01/79/1032420179.db2.gz YRDQHHKUISXSPB-AWEZNQCLSA-N 1 2 328.416 3.840 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@H]3CCCc4sccc43)n2)cc1 ZINC000536906905 1032420184 /nfs/dbraw/zinc/42/01/84/1032420184.db2.gz YRDQHHKUISXSPB-AWEZNQCLSA-N 1 2 328.416 3.840 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(OC)c2)C[C@@H](C)[S@@]1=O ZINC000449320503 1032451980 /nfs/dbraw/zinc/45/19/80/1032451980.db2.gz JETJCIWUDZOKGV-HBAYXTBCSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(OC)c2)C[C@@H](C)[S@@]1=O ZINC000449320503 1032451987 /nfs/dbraw/zinc/45/19/87/1032451987.db2.gz JETJCIWUDZOKGV-HBAYXTBCSA-N 1 2 331.481 3.580 20 0 EHADLO CCc1cnc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)o1 ZINC000528579922 1032462196 /nfs/dbraw/zinc/46/21/96/1032462196.db2.gz XHYIXNNZOKFUHH-UHFFFAOYSA-N 1 2 344.459 3.732 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(-c2c(F)cccc2F)s1)c1ccn(C)n1 ZINC000459780500 1032465104 /nfs/dbraw/zinc/46/51/04/1032465104.db2.gz XRBLFTQVSOJPKQ-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000188806445 1017286796 /nfs/dbraw/zinc/28/67/96/1017286796.db2.gz IJNXLUNHPNLODK-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000188806445 1017286805 /nfs/dbraw/zinc/28/68/05/1017286805.db2.gz IJNXLUNHPNLODK-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000086234252 1032482423 /nfs/dbraw/zinc/48/24/23/1032482423.db2.gz ZAVJSJBEOLAUDK-LFPRZYRFSA-N 1 2 342.483 3.890 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000086234252 1032482433 /nfs/dbraw/zinc/48/24/33/1032482433.db2.gz ZAVJSJBEOLAUDK-LFPRZYRFSA-N 1 2 342.483 3.890 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1c(F)cccc1F ZINC000537029958 1032491955 /nfs/dbraw/zinc/49/19/55/1032491955.db2.gz TTXADJONBASBNV-NSHDSACASA-N 1 2 338.785 3.585 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC000449423532 1032536041 /nfs/dbraw/zinc/53/60/41/1032536041.db2.gz OBYSYEBIVBKKRS-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC000449423532 1032536051 /nfs/dbraw/zinc/53/60/51/1032536051.db2.gz OBYSYEBIVBKKRS-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO Cn1c2ccc(Nc3ncc(Br)cn3)cc2[nH+]c1C1CC1 ZINC000089649050 1032536232 /nfs/dbraw/zinc/53/62/32/1032536232.db2.gz DUUKCXDYCBGKBQ-UHFFFAOYSA-N 1 2 344.216 3.747 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000449418038 1032551882 /nfs/dbraw/zinc/55/18/82/1032551882.db2.gz BBLHFCLSCRVVLZ-ZWKOTPCHSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000449418038 1032551889 /nfs/dbraw/zinc/55/18/89/1032551889.db2.gz BBLHFCLSCRVVLZ-ZWKOTPCHSA-N 1 2 337.797 3.779 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(C(F)(F)F)c1 ZINC001143455391 1032554746 /nfs/dbraw/zinc/55/47/46/1032554746.db2.gz RYKCICHJWCOTGN-UHFFFAOYSA-N 1 2 338.373 3.925 20 0 EHADLO c1cc(-c2noc(C[NH2+][C@H](c3ccccn3)C3CCC3)n2)cs1 ZINC000528651327 1032557362 /nfs/dbraw/zinc/55/73/62/1032557362.db2.gz QUSPVFOOPRMMTI-INIZCTEOSA-N 1 2 326.425 3.824 20 0 EHADLO C[C@@H]1CCC[C@H](C)C1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000081476853 1032558628 /nfs/dbraw/zinc/55/86/28/1032558628.db2.gz XURQUIYYURGQLQ-MCPYQZEQSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@H]1CCC[C@H](C)C1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000081478492 1032558681 /nfs/dbraw/zinc/55/86/81/1032558681.db2.gz CYDDKIOAWFXULL-HOTGVXAUSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1Br ZINC000090223722 1032564000 /nfs/dbraw/zinc/56/40/00/1032564000.db2.gz RHSGBCQFJWWBOH-HUUCEWRRSA-N 1 2 349.276 3.925 20 0 EHADLO CC(C)c1cc(N2CCC(N3CCCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000090112471 1032574265 /nfs/dbraw/zinc/57/42/65/1032574265.db2.gz CYWHUMVQCRWGDQ-UHFFFAOYSA-N 1 2 344.503 3.705 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]2C(C)C)c(C)c1 ZINC000537278398 1032589176 /nfs/dbraw/zinc/58/91/76/1032589176.db2.gz DXYZFFFHLOWKIW-OALUTQOASA-N 1 2 340.471 3.681 20 0 EHADLO CCCCOc1cc(C[NH2+]Cc2nn(C)cc2Cl)ccc1OC ZINC000449481808 1032608338 /nfs/dbraw/zinc/60/83/38/1032608338.db2.gz VVFBAZIDLPHZLA-UHFFFAOYSA-N 1 2 337.851 3.551 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000460132997 1032608804 /nfs/dbraw/zinc/60/88/04/1032608804.db2.gz METLXFUNPYKAHK-MRXNPFEDSA-N 1 2 328.460 3.652 20 0 EHADLO CSc1cccc(C)c1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000546728054 1032637901 /nfs/dbraw/zinc/63/79/01/1032637901.db2.gz NHJJZRYXWDQKSQ-UHFFFAOYSA-N 1 2 325.437 3.854 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)c(F)c1 ZINC000592982228 1032649445 /nfs/dbraw/zinc/64/94/45/1032649445.db2.gz HKAYVJUSUPQKFF-CYBMUJFWSA-N 1 2 332.444 3.971 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)c(F)c1 ZINC000592982228 1032649456 /nfs/dbraw/zinc/64/94/56/1032649456.db2.gz HKAYVJUSUPQKFF-CYBMUJFWSA-N 1 2 332.444 3.971 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611865541 1032658692 /nfs/dbraw/zinc/65/86/92/1032658692.db2.gz JDYXBJHHMVMSMR-BQGCOEIASA-N 1 2 345.874 3.828 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000537362326 1032659435 /nfs/dbraw/zinc/65/94/35/1032659435.db2.gz GWUCEOKADCUNQB-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000188270375 1017104479 /nfs/dbraw/zinc/10/44/79/1017104479.db2.gz ULPXBRXGBSFWHT-UHFFFAOYSA-N 1 2 333.819 3.576 20 0 EHADLO CC1(C)OCC[C@@H]1[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000579916821 1017164148 /nfs/dbraw/zinc/16/41/48/1017164148.db2.gz MWJRSOZTAHVXBA-ZWKOTPCHSA-N 1 2 349.434 3.983 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000890854518 1017164642 /nfs/dbraw/zinc/16/46/42/1017164642.db2.gz FDBRGGCIMDAHRQ-JTQLQIEISA-N 1 2 343.374 3.517 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000890854518 1017164651 /nfs/dbraw/zinc/16/46/51/1017164651.db2.gz FDBRGGCIMDAHRQ-JTQLQIEISA-N 1 2 343.374 3.517 20 0 EHADLO CCCCCN(CCCOC)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376899769 1017189996 /nfs/dbraw/zinc/18/99/96/1017189996.db2.gz VSRHYJHGPVVMBT-INIZCTEOSA-N 1 2 349.519 3.693 20 0 EHADLO CCCCCN(CCCOC)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376899769 1017190001 /nfs/dbraw/zinc/19/00/01/1017190001.db2.gz VSRHYJHGPVVMBT-INIZCTEOSA-N 1 2 349.519 3.693 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2=CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638448 1017222475 /nfs/dbraw/zinc/22/24/75/1017222475.db2.gz FWIHVSYRCGMGPJ-IRXDYDNUSA-N 1 2 336.838 3.841 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2=CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638448 1017222488 /nfs/dbraw/zinc/22/24/88/1017222488.db2.gz FWIHVSYRCGMGPJ-IRXDYDNUSA-N 1 2 336.838 3.841 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)o1 ZINC000892744701 1017306860 /nfs/dbraw/zinc/30/68/60/1017306860.db2.gz DGLPUAYTEXAJND-UHFFFAOYSA-N 1 2 330.211 3.901 20 0 EHADLO FC1(c2cccc(Cl)c2)CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000377151423 1017370536 /nfs/dbraw/zinc/37/05/36/1017370536.db2.gz KRNSZEBDUNPVSQ-UHFFFAOYSA-N 1 2 348.853 3.729 20 0 EHADLO Clc1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c(Cl)s1 ZINC000538875733 1017412198 /nfs/dbraw/zinc/41/21/98/1017412198.db2.gz ABDZDTDQMMEKOX-UHFFFAOYSA-N 1 2 343.283 3.735 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3N(C)C)n2)cc1 ZINC000579940548 1017448234 /nfs/dbraw/zinc/44/82/34/1017448234.db2.gz BSTJNHUWUIHJRH-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3N(C)C)n2)cc1 ZINC000579940548 1017448242 /nfs/dbraw/zinc/44/82/42/1017448242.db2.gz BSTJNHUWUIHJRH-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO CCN(CCOc1ccccc1C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000579940489 1017456113 /nfs/dbraw/zinc/45/61/13/1017456113.db2.gz ZZSGOXWDALNWEW-UHFFFAOYSA-N 1 2 338.411 3.576 20 0 EHADLO O=C(NN=C1CCCC1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000064853073 1017479117 /nfs/dbraw/zinc/47/91/17/1017479117.db2.gz GZZWARQAXDAKQL-NRFANRHFSA-N 1 2 347.462 3.660 20 0 EHADLO O=C(NN=C1CCCC1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC000064853073 1017479133 /nfs/dbraw/zinc/47/91/33/1017479133.db2.gz GZZWARQAXDAKQL-NRFANRHFSA-N 1 2 347.462 3.660 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccccc2F)nc1C)c1ccc(C)o1 ZINC000655741987 1017510704 /nfs/dbraw/zinc/51/07/04/1017510704.db2.gz DCGCYTVAUKGTTE-KRWDZBQOSA-N 1 2 343.402 3.699 20 0 EHADLO Clc1cc(NCc2cc3n(n2)CCCC3)ccc1-n1cc[nH+]c1 ZINC000655749555 1017518996 /nfs/dbraw/zinc/51/89/96/1017518996.db2.gz FGKOWZMGKGHMII-UHFFFAOYSA-N 1 2 327.819 3.671 20 0 EHADLO COC(OC)c1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)o1 ZINC000377268956 1017547211 /nfs/dbraw/zinc/54/72/11/1017547211.db2.gz ZRSRPSBWWXLFLO-UHFFFAOYSA-N 1 2 341.367 3.522 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000020544235 1032707319 /nfs/dbraw/zinc/70/73/19/1032707319.db2.gz WEMZQMKIWVOCDT-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC2(C)CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000537410221 1032711209 /nfs/dbraw/zinc/71/12/09/1032711209.db2.gz CVQZVVLNXQFJHC-SJORKVTESA-N 1 2 332.492 3.836 20 0 EHADLO c1ccc([C@@H]2CCCC[C@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)cc1 ZINC000655793656 1017620723 /nfs/dbraw/zinc/62/07/23/1017620723.db2.gz ANRLQSZBWDFQSQ-SQNIBIBYSA-N 1 2 340.471 3.862 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncc(Br)cc2O)Cc2ccccc21 ZINC001207448583 1017624933 /nfs/dbraw/zinc/62/49/33/1017624933.db2.gz KWQZLAOFVFVFNM-NSHDSACASA-N 1 2 333.229 3.669 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncc(Br)cc2O)Cc2ccccc21 ZINC001207448583 1017624940 /nfs/dbraw/zinc/62/49/40/1017624940.db2.gz KWQZLAOFVFVFNM-NSHDSACASA-N 1 2 333.229 3.669 20 0 EHADLO CC1(C)CC[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655796263 1017630121 /nfs/dbraw/zinc/63/01/21/1017630121.db2.gz DSWLGEKSZYFQLA-HOTGVXAUSA-N 1 2 326.444 3.559 20 0 EHADLO COc1ccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(F)c1 ZINC000651962533 1017703448 /nfs/dbraw/zinc/70/34/48/1017703448.db2.gz GOMDENCMFCUPHR-LJQANCHMSA-N 1 2 339.414 3.641 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ncc(Br)cn1 ZINC000340424467 1017735021 /nfs/dbraw/zinc/73/50/21/1017735021.db2.gz QVSNHFIHTRKYQL-YMTOWFKASA-N 1 2 336.208 3.716 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143494911 1017738909 /nfs/dbraw/zinc/73/89/09/1017738909.db2.gz CBBBPMOMEPJEKC-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143494911 1017738920 /nfs/dbraw/zinc/73/89/20/1017738920.db2.gz CBBBPMOMEPJEKC-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO Cc1ccc(I)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288813 1017748559 /nfs/dbraw/zinc/74/85/59/1017748559.db2.gz WCCYFQYYZSGVBE-UHFFFAOYSA-N 1 2 339.180 3.629 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000340428639 1017760516 /nfs/dbraw/zinc/76/05/16/1017760516.db2.gz XKFORSJTUPJKMF-RKDXNWHRSA-N 1 2 342.187 3.929 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812713 1017814953 /nfs/dbraw/zinc/81/49/53/1017814953.db2.gz GZVIWHOOEFHKNW-OTTFEQOBSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812713 1017814970 /nfs/dbraw/zinc/81/49/70/1017814970.db2.gz GZVIWHOOEFHKNW-OTTFEQOBSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@@H]([NH2+]CCSc1cc(Cl)ccc1Cl)c1ncn(C)n1 ZINC000275645086 1017885293 /nfs/dbraw/zinc/88/52/93/1017885293.db2.gz WOKQJQSIMJFOHO-SECBINFHSA-N 1 2 331.272 3.565 20 0 EHADLO c1cc(N2CC[NH+](C3COC3)CC2)ccc1NC1=CCCCCCC1 ZINC001210449640 1018027906 /nfs/dbraw/zinc/02/79/06/1018027906.db2.gz MZWPVTVAYWUMAK-UHFFFAOYSA-N 1 2 341.499 3.857 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000047273883 1018088062 /nfs/dbraw/zinc/08/80/62/1018088062.db2.gz TZMTYFASROSTTQ-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000047273883 1018088074 /nfs/dbraw/zinc/08/80/74/1018088074.db2.gz TZMTYFASROSTTQ-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)on1 ZINC000047273905 1018088564 /nfs/dbraw/zinc/08/85/64/1018088564.db2.gz WYTMGXUQIJFTKI-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)on1 ZINC000047273905 1018088572 /nfs/dbraw/zinc/08/85/72/1018088572.db2.gz WYTMGXUQIJFTKI-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO C[C@@]1(c2ccc(Cl)cc2)C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC001203154528 1018158512 /nfs/dbraw/zinc/15/85/12/1018158512.db2.gz BTGXIOCQMKJPLK-IBGZPJMESA-N 1 2 341.842 3.735 20 0 EHADLO C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC001203154528 1018158519 /nfs/dbraw/zinc/15/85/19/1018158519.db2.gz BTGXIOCQMKJPLK-IBGZPJMESA-N 1 2 341.842 3.735 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnc(-c2ccccn2)s1 ZINC000340530722 1018236412 /nfs/dbraw/zinc/23/64/12/1018236412.db2.gz LVMRKFYJEAYNNY-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3ccc4cnccc4c3)c[nH+]2)C[C@H](C)O1 ZINC000683752252 1018321107 /nfs/dbraw/zinc/32/11/07/1018321107.db2.gz UPQNBGYBIHCWBE-HOTGVXAUSA-N 1 2 348.450 3.856 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3ccc4cnccc4c3)c[nH+]2)C[C@H](C)O1 ZINC000683752256 1018321474 /nfs/dbraw/zinc/32/14/74/1018321474.db2.gz UPQNBGYBIHCWBE-IYBDPMFKSA-N 1 2 348.450 3.856 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377788484 1018372253 /nfs/dbraw/zinc/37/22/53/1018372253.db2.gz WYIVNCDUGDFGGA-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377788484 1018372261 /nfs/dbraw/zinc/37/22/61/1018372261.db2.gz WYIVNCDUGDFGGA-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3cccs3)C3CC3)[nH+]c12 ZINC000588357614 1018378918 /nfs/dbraw/zinc/37/89/18/1018378918.db2.gz MWFPEOVLHZDULQ-QGZVFWFLSA-N 1 2 325.437 3.514 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000606580498 1032763827 /nfs/dbraw/zinc/76/38/27/1032763827.db2.gz RDTLCQXOGNFIAY-CQSZACIVSA-N 1 2 342.786 3.633 20 0 EHADLO O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc2[nH+]ccn2c1 ZINC000606582106 1032767116 /nfs/dbraw/zinc/76/71/16/1032767116.db2.gz DCFNIUUVRVXGGL-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000377865334 1018491235 /nfs/dbraw/zinc/49/12/35/1018491235.db2.gz REZCZMRSCXARMC-UHFFFAOYSA-N 1 2 342.349 3.687 20 0 EHADLO CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582000 1032768927 /nfs/dbraw/zinc/76/89/27/1032768927.db2.gz ZNHBIJCVVLRJKR-UHFFFAOYSA-N 1 2 344.802 3.530 20 0 EHADLO COC(=O)c1sc2cccnc2c1Nc1cc(C)[nH+]c(OC)c1 ZINC001210774496 1018653116 /nfs/dbraw/zinc/65/31/16/1018653116.db2.gz NKUPBHHAFCFRGJ-UHFFFAOYSA-N 1 2 329.381 3.539 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000052163922 1018772600 /nfs/dbraw/zinc/77/26/00/1018772600.db2.gz DXAKGJAYQOAOGA-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000052163922 1018772619 /nfs/dbraw/zinc/77/26/19/1018772619.db2.gz DXAKGJAYQOAOGA-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000052356508 1018802236 /nfs/dbraw/zinc/80/22/36/1018802236.db2.gz XULGBPAEESLRSX-HXUWFJFHSA-N 1 2 333.435 3.764 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cc(F)ccc1F ZINC000052161749 1018854072 /nfs/dbraw/zinc/85/40/72/1018854072.db2.gz MJXFXTDPTXPGHW-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1cc(F)ccc1F ZINC000052161749 1018854095 /nfs/dbraw/zinc/85/40/95/1018854095.db2.gz MJXFXTDPTXPGHW-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683845447 1018856510 /nfs/dbraw/zinc/85/65/10/1018856510.db2.gz CDTGDNHJYFHMFP-YNEHKIRRSA-N 1 2 335.860 3.565 20 0 EHADLO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000340617343 1018860187 /nfs/dbraw/zinc/86/01/87/1018860187.db2.gz NPDXQJLGGBZRPJ-AWEZNQCLSA-N 1 2 349.390 3.590 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CCc2ccccc21 ZINC000047406048 1018883574 /nfs/dbraw/zinc/88/35/74/1018883574.db2.gz QJTNSCRKTVMAIM-HXUWFJFHSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CCc2ccccc21 ZINC000047406048 1018883595 /nfs/dbraw/zinc/88/35/95/1018883595.db2.gz QJTNSCRKTVMAIM-HXUWFJFHSA-N 1 2 332.447 3.865 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)n1 ZINC000580259637 1018886068 /nfs/dbraw/zinc/88/60/68/1018886068.db2.gz QOMFBYLKYODMSN-DGCLKSJQSA-N 1 2 330.444 3.692 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000119272760 1032793461 /nfs/dbraw/zinc/79/34/61/1032793461.db2.gz JWNJKUARAIPCDP-INIZCTEOSA-N 1 2 333.435 3.668 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c[nH]nc21)c1nc(-c2cccc(F)c2)no1 ZINC000429992093 1018916872 /nfs/dbraw/zinc/91/68/72/1018916872.db2.gz NWAURNQPCRDPMM-NSHDSACASA-N 1 2 337.358 3.603 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@H]1C1CCC1)Nc1ccc(F)cc1Cl ZINC000419374076 1018972454 /nfs/dbraw/zinc/97/24/54/1018972454.db2.gz NSIBCQRVHWINDE-HNNXBMFYSA-N 1 2 342.867 3.635 20 0 EHADLO O=C(C[N@H+]1CCSC[C@H]1C1CCC1)Nc1ccc(F)cc1Cl ZINC000419374076 1018972466 /nfs/dbraw/zinc/97/24/66/1018972466.db2.gz NSIBCQRVHWINDE-HNNXBMFYSA-N 1 2 342.867 3.635 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340628920 1018995311 /nfs/dbraw/zinc/99/53/11/1018995311.db2.gz YMPXBPRRFOYQDU-HXUWFJFHSA-N 1 2 333.435 3.683 20 0 EHADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000924892866 1019078926 /nfs/dbraw/zinc/07/89/26/1019078926.db2.gz JJVXGQFIRHHMKI-VIFPVBQESA-N 1 2 346.784 3.955 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000124940770 1019083989 /nfs/dbraw/zinc/08/39/89/1019083989.db2.gz DVMKRJBWBHHEJT-NSHDSACASA-N 1 2 337.803 3.921 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000124940770 1019084003 /nfs/dbraw/zinc/08/40/03/1019084003.db2.gz DVMKRJBWBHHEJT-NSHDSACASA-N 1 2 337.803 3.921 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000683889284 1019102960 /nfs/dbraw/zinc/10/29/60/1019102960.db2.gz DXRPNDYBXKFUQV-DLBZAZTESA-N 1 2 344.282 3.806 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000683889284 1019102967 /nfs/dbraw/zinc/10/29/67/1019102967.db2.gz DXRPNDYBXKFUQV-DLBZAZTESA-N 1 2 344.282 3.806 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)on1 ZINC000052821715 1019279373 /nfs/dbraw/zinc/27/93/73/1019279373.db2.gz MLOYMQSEHKTSSS-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)on1 ZINC000052821715 1019279384 /nfs/dbraw/zinc/27/93/84/1019279384.db2.gz MLOYMQSEHKTSSS-HNNXBMFYSA-N 1 2 333.819 3.720 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(F)c(F)c(F)c1 ZINC000172643163 1032826687 /nfs/dbraw/zinc/82/66/87/1032826687.db2.gz SQAXOLLSPRRLAS-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000449568303 1032823402 /nfs/dbraw/zinc/82/34/02/1032823402.db2.gz ARLCAAWOLCWRNN-ZANVPECISA-N 1 2 326.227 3.994 20 0 EHADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000548097342 1019394056 /nfs/dbraw/zinc/39/40/56/1019394056.db2.gz GGCLDEGZWBBERD-GJZGRUSLSA-N 1 2 340.471 3.591 20 0 EHADLO CCSc1ccc([C@@H](C)Nc2cc(NC[C@@H](C)O)[nH+]cn2)cc1 ZINC000413120265 1019449992 /nfs/dbraw/zinc/44/99/92/1019449992.db2.gz BDFAKNCSWCISCR-CHWSQXEVSA-N 1 2 332.473 3.554 20 0 EHADLO CCSc1ccc([C@@H](C)Nc2cc(NC[C@@H](C)O)nc[nH+]2)cc1 ZINC000413120265 1019450003 /nfs/dbraw/zinc/45/00/03/1019450003.db2.gz BDFAKNCSWCISCR-CHWSQXEVSA-N 1 2 332.473 3.554 20 0 EHADLO CC(C)CCc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606752462 1032831354 /nfs/dbraw/zinc/83/13/54/1032831354.db2.gz OKNHSNGUFGRZLX-UHFFFAOYSA-N 1 2 343.452 3.724 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000430003918 1019453209 /nfs/dbraw/zinc/45/32/09/1019453209.db2.gz IHXKZURNTVVBBV-UHFFFAOYSA-N 1 2 337.398 3.923 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000430003918 1019453219 /nfs/dbraw/zinc/45/32/19/1019453219.db2.gz IHXKZURNTVVBBV-UHFFFAOYSA-N 1 2 337.398 3.923 20 0 EHADLO CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606752468 1032832101 /nfs/dbraw/zinc/83/21/01/1032832101.db2.gz OUHRHTNMKBTTLS-CYBMUJFWSA-N 1 2 329.425 3.649 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000580501138 1019501240 /nfs/dbraw/zinc/50/12/40/1019501240.db2.gz PVFFUSTWLVBGIC-FUHWJXTLSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000580501138 1019501257 /nfs/dbraw/zinc/50/12/57/1019501257.db2.gz PVFFUSTWLVBGIC-FUHWJXTLSA-N 1 2 348.874 3.620 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000510332019 1019531210 /nfs/dbraw/zinc/53/12/10/1019531210.db2.gz OCVYFGWYMBICAU-YFHUEUNASA-N 1 2 329.488 3.580 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433797379 1019616108 /nfs/dbraw/zinc/61/61/08/1019616108.db2.gz WAMJLOBENOHXSY-BONVTDFDSA-N 1 2 330.819 3.530 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433803346 1019647133 /nfs/dbraw/zinc/64/71/33/1019647133.db2.gz CQRMBHVYPCUQEN-GFCCVEGCSA-N 1 2 339.361 3.542 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(c1cccs1)c1cccs1 ZINC000580583808 1019685250 /nfs/dbraw/zinc/68/52/50/1019685250.db2.gz YTBDKLOWEDIVRV-LLVKDONJSA-N 1 2 331.466 3.617 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(c1cccs1)c1cccs1 ZINC000580583808 1019685269 /nfs/dbraw/zinc/68/52/69/1019685269.db2.gz YTBDKLOWEDIVRV-LLVKDONJSA-N 1 2 331.466 3.617 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160560315 1019696673 /nfs/dbraw/zinc/69/66/73/1019696673.db2.gz HHVWDMNSQMRRTN-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160560315 1019696681 /nfs/dbraw/zinc/69/66/81/1019696681.db2.gz HHVWDMNSQMRRTN-OALUTQOASA-N 1 2 331.843 3.755 20 0 EHADLO Cc1nc(C[NH+]2CCc3ccccc3CC2)sc1Br ZINC001167420696 1019698526 /nfs/dbraw/zinc/69/85/26/1019698526.db2.gz JKNWWPOPXYDOOT-UHFFFAOYSA-N 1 2 337.286 3.815 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@@H](C)O1 ZINC000656258501 1019726040 /nfs/dbraw/zinc/72/60/40/1019726040.db2.gz TZUMUWTXGPXWBT-WBVHZDCISA-N 1 2 346.496 3.663 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@@H](C)O1 ZINC000656258501 1019726053 /nfs/dbraw/zinc/72/60/53/1019726053.db2.gz TZUMUWTXGPXWBT-WBVHZDCISA-N 1 2 346.496 3.663 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000664196159 1019738731 /nfs/dbraw/zinc/73/87/31/1019738731.db2.gz JACARTVANCHNOW-GOSISDBHSA-N 1 2 341.846 3.618 20 0 EHADLO Cc1csc([C@@H](C)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000684024169 1019846641 /nfs/dbraw/zinc/84/66/41/1019846641.db2.gz NZYYEGCMDOCVEE-OAHLLOKOSA-N 1 2 340.496 3.812 20 0 EHADLO CC[C@@H](C)CCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000513617563 1019877178 /nfs/dbraw/zinc/87/71/78/1019877178.db2.gz VBZPTJPJJWXPIX-QGZVFWFLSA-N 1 2 331.504 3.973 20 0 EHADLO C[C@@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255723639 1019936457 /nfs/dbraw/zinc/93/64/57/1019936457.db2.gz QORTWGDYHSMBHR-SBSDFTTDSA-N 1 2 332.407 3.500 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000093329113 1032863125 /nfs/dbraw/zinc/86/31/25/1032863125.db2.gz ZRQMUWRHPAMMRJ-CYBMUJFWSA-N 1 2 343.374 3.519 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000093329113 1032863140 /nfs/dbraw/zinc/86/31/40/1032863140.db2.gz ZRQMUWRHPAMMRJ-CYBMUJFWSA-N 1 2 343.374 3.519 20 0 EHADLO Fc1cccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c12 ZINC000340769899 1019970464 /nfs/dbraw/zinc/97/04/64/1019970464.db2.gz CIKMRJURZIAJJG-UHFFFAOYSA-N 1 2 339.418 3.662 20 0 EHADLO NC(=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000050510683 1020036575 /nfs/dbraw/zinc/03/65/75/1020036575.db2.gz NFDDCOOJECRJFK-UHFFFAOYSA-N 1 2 327.771 3.832 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000574272666 1032874284 /nfs/dbraw/zinc/87/42/84/1032874284.db2.gz NPTSQWCAHVZIRV-ZMSDIMECSA-N 1 2 334.464 3.687 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000574272666 1032874303 /nfs/dbraw/zinc/87/43/03/1032874303.db2.gz NPTSQWCAHVZIRV-ZMSDIMECSA-N 1 2 334.464 3.687 20 0 EHADLO Cc1cn2cc(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)ccc2[nH+]1 ZINC000345247479 1020094739 /nfs/dbraw/zinc/09/47/39/1020094739.db2.gz JMRCQFFRTZKRSJ-GFCCVEGCSA-N 1 2 339.370 3.629 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)[C@H]4C[C@H]4C)cc3)cc2[nH+]1 ZINC000048129948 1020097504 /nfs/dbraw/zinc/09/75/04/1020097504.db2.gz HMMRZHXJUKMOKB-BZNIZROVSA-N 1 2 348.406 3.718 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@]2(CCOC2)O1 ZINC000280137895 1020104616 /nfs/dbraw/zinc/10/46/16/1020104616.db2.gz CVNJCQXMMRKPAI-IBGZPJMESA-N 1 2 344.480 3.580 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@]2(CCOC2)O1 ZINC000280137895 1020104620 /nfs/dbraw/zinc/10/46/20/1020104620.db2.gz CVNJCQXMMRKPAI-IBGZPJMESA-N 1 2 344.480 3.580 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(C3CCSCC3)no2)c1 ZINC000580859144 1020153655 /nfs/dbraw/zinc/15/36/55/1020153655.db2.gz IUONVGRTFXYNQZ-UHFFFAOYSA-N 1 2 326.425 3.841 20 0 EHADLO CCCc1noc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)n1 ZINC000280179028 1020169812 /nfs/dbraw/zinc/16/98/12/1020169812.db2.gz GUJPMVYOHNGZPZ-UHFFFAOYSA-N 1 2 339.443 3.517 20 0 EHADLO C[C@H](NC(=O)CC1(C(F)(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000345357077 1020180648 /nfs/dbraw/zinc/18/06/48/1020180648.db2.gz VFLWNYBKTOEYQV-LBPRGKRZSA-N 1 2 337.345 3.782 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC[C@H]1CCO1 ZINC000602453621 1032882620 /nfs/dbraw/zinc/88/26/20/1032882620.db2.gz IKYZDPGUDFOTAJ-WFASDCNBSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[C@H]1CCO1 ZINC000602453621 1032882631 /nfs/dbraw/zinc/88/26/31/1032882631.db2.gz IKYZDPGUDFOTAJ-WFASDCNBSA-N 1 2 346.254 3.708 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)C12CCC(CC1)C2 ZINC000345420370 1020236769 /nfs/dbraw/zinc/23/67/69/1020236769.db2.gz DEXNFWVFGOUWAP-UHFFFAOYSA-N 1 2 327.472 3.506 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)[nH]c1C ZINC000602434869 1032886431 /nfs/dbraw/zinc/88/64/31/1032886431.db2.gz GAYDDNWTJQYRDB-GFCCVEGCSA-N 1 2 343.452 3.912 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)[nH]c1C ZINC000602434869 1032886442 /nfs/dbraw/zinc/88/64/42/1032886442.db2.gz GAYDDNWTJQYRDB-GFCCVEGCSA-N 1 2 343.452 3.912 20 0 EHADLO C[C@H]1CC[C@@H](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345439607 1020253656 /nfs/dbraw/zinc/25/36/56/1020253656.db2.gz BJISHMLTTMHSEN-JKSUJKDBSA-N 1 2 329.488 3.752 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155925093 1020267901 /nfs/dbraw/zinc/26/79/01/1020267901.db2.gz GKAXCSPGPYOOTC-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000093303566 1032895007 /nfs/dbraw/zinc/89/50/07/1032895007.db2.gz MBUCJTUARWGFNC-CQSZACIVSA-N 1 2 343.452 3.571 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000093303566 1032895021 /nfs/dbraw/zinc/89/50/21/1032895021.db2.gz MBUCJTUARWGFNC-CQSZACIVSA-N 1 2 343.452 3.571 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345460675 1020299825 /nfs/dbraw/zinc/29/98/25/1020299825.db2.gz KSQIIWOEEFNYHQ-ILCGBQQYSA-N 1 2 340.467 3.668 20 0 EHADLO COc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)cc1C ZINC000280421897 1020378398 /nfs/dbraw/zinc/37/83/98/1020378398.db2.gz DEPXDCKEBASARF-GUYCJALGSA-N 1 2 342.443 3.624 20 0 EHADLO CCc1ccsc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000064730822 1020413779 /nfs/dbraw/zinc/41/37/79/1020413779.db2.gz SOSPJYAWTREPIW-UHFFFAOYSA-N 1 2 329.469 3.626 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1nccs1 ZINC000606912907 1032900757 /nfs/dbraw/zinc/90/07/57/1032900757.db2.gz NYENCHHFQATKTQ-KZULUSFZSA-N 1 2 332.469 3.890 20 0 EHADLO O=C(/C=C\C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000255266756 1020421574 /nfs/dbraw/zinc/42/15/74/1020421574.db2.gz JJODWUZOWJKLKE-FLIBITNWSA-N 1 2 328.456 3.594 20 0 EHADLO COCc1nc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cs1 ZINC000345707896 1020462788 /nfs/dbraw/zinc/46/27/88/1020462788.db2.gz OXKUQXPBIWXYEC-CQSZACIVSA-N 1 2 338.860 3.946 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@@]1=O ZINC000581228664 1020554969 /nfs/dbraw/zinc/55/49/69/1020554969.db2.gz ZENQZQXEIOYBDJ-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@@]1=O ZINC000581228664 1020554977 /nfs/dbraw/zinc/55/49/77/1020554977.db2.gz ZENQZQXEIOYBDJ-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000558245071 1020556074 /nfs/dbraw/zinc/55/60/74/1020556074.db2.gz HODQDIDDQGVAIS-UHFFFAOYSA-N 1 2 331.435 3.862 20 0 EHADLO CCCn1c(C(=O)NCc2ccn3cc[nH+]c3c2)cc2ccccc21 ZINC000345881724 1020571148 /nfs/dbraw/zinc/57/11/48/1020571148.db2.gz IDTHEXCMTQAVEC-UHFFFAOYSA-N 1 2 332.407 3.629 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000048327913 1020607351 /nfs/dbraw/zinc/60/73/51/1020607351.db2.gz QQZXYXBRQJUKPQ-CYBMUJFWSA-N 1 2 334.379 3.993 20 0 EHADLO CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510377833 1020634039 /nfs/dbraw/zinc/63/40/39/1020634039.db2.gz MIKYQESLJPKDLF-ROUUACIJSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000501006642 1020643091 /nfs/dbraw/zinc/64/30/91/1020643091.db2.gz UZYUGJUMGYHPLG-NSCUHMNNSA-N 1 2 338.426 3.605 20 0 EHADLO C[C@@H]1SCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1c1ccccc1 ZINC000933135620 1020667990 /nfs/dbraw/zinc/66/79/90/1020667990.db2.gz XXBPYIAVNOGBPW-SCLBCKFNSA-N 1 2 337.448 3.882 20 0 EHADLO CCS(=O)(=O)c1ccc(CSCc2ccc(C)[nH+]c2C)cc1 ZINC000419466746 1020672889 /nfs/dbraw/zinc/67/28/89/1020672889.db2.gz TXWYNBRDEXEUJA-UHFFFAOYSA-N 1 2 335.494 3.925 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1Cl ZINC000341000269 1020801740 /nfs/dbraw/zinc/80/17/40/1020801740.db2.gz HMVSAXKKTUSUMQ-MRXNPFEDSA-N 1 2 339.826 3.902 20 0 EHADLO CCc1ccc2c(c1)CCN2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000891385269 1020840271 /nfs/dbraw/zinc/84/02/71/1020840271.db2.gz YQSNQBUCDJALFV-HNNXBMFYSA-N 1 2 337.345 3.528 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341013572 1020851440 /nfs/dbraw/zinc/85/14/40/1020851440.db2.gz KMMQPFYQXQUZDI-ZIAGYGMSSA-N 1 2 332.423 3.635 20 0 EHADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)NCc1c[nH+]cn1C ZINC000290061562 1020851968 /nfs/dbraw/zinc/85/19/68/1020851968.db2.gz AXZCHJWZOIVQGI-UHFFFAOYSA-N 1 2 332.473 3.941 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000124027231 1020867868 /nfs/dbraw/zinc/86/78/68/1020867868.db2.gz BLJZSNFFQKHGNK-UHFFFAOYSA-N 1 2 331.362 3.765 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(F)c(F)cc2OC)cc(OC)c1 ZINC001143393383 1020909525 /nfs/dbraw/zinc/90/95/25/1020909525.db2.gz LNRCTUYGKRVNLH-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(F)c(F)cc2OC)cc(OC)c1 ZINC001143393383 1020909531 /nfs/dbraw/zinc/90/95/31/1020909531.db2.gz LNRCTUYGKRVNLH-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Cc1cc(N2CCCN(C(=O)CC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000341113118 1020988373 /nfs/dbraw/zinc/98/83/73/1020988373.db2.gz YDTCKIFVMUJYEH-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000341176304 1021047469 /nfs/dbraw/zinc/04/74/69/1021047469.db2.gz IWLCVGZUZDXGHP-RCCFBDPRSA-N 1 2 338.455 3.640 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000656636857 1021069410 /nfs/dbraw/zinc/06/94/10/1021069410.db2.gz NHYLXKYEQPWRCN-IBGZPJMESA-N 1 2 338.455 3.582 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000656636857 1021069418 /nfs/dbraw/zinc/06/94/18/1021069418.db2.gz NHYLXKYEQPWRCN-IBGZPJMESA-N 1 2 338.455 3.582 20 0 EHADLO C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC001125516261 1021100829 /nfs/dbraw/zinc/10/08/29/1021100829.db2.gz XZQQOWPOHGUKMV-YWZLYKJASA-N 1 2 325.456 3.951 20 0 EHADLO Cc1cc(CNc2cccc(C(=O)NC3CC3)c2)c2c([nH+]1)CCCC2 ZINC000891432202 1021121684 /nfs/dbraw/zinc/12/16/84/1021121684.db2.gz YQUPBMJYOFUQAB-UHFFFAOYSA-N 1 2 335.451 3.773 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000341220522 1021121776 /nfs/dbraw/zinc/12/17/76/1021121776.db2.gz NQZLDMKTUXMEQT-GFCCVEGCSA-N 1 2 327.384 3.806 20 0 EHADLO CCc1noc(C)c1-c1noc([C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000581617996 1021158379 /nfs/dbraw/zinc/15/83/79/1021158379.db2.gz MPQRALXNTJLSDS-OAHLLOKOSA-N 1 2 346.818 3.900 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681125 1021159069 /nfs/dbraw/zinc/15/90/69/1021159069.db2.gz AELYWBSSWXXVMW-STQMWFEESA-N 1 2 331.485 3.946 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cc(Cl)ccc1F ZINC000656681272 1021159555 /nfs/dbraw/zinc/15/95/55/1021159555.db2.gz CLYSAEQWSYSCJE-DTWKUNHWSA-N 1 2 327.812 3.613 20 0 EHADLO COc1ccc(Br)cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656685979 1021167866 /nfs/dbraw/zinc/16/78/66/1021167866.db2.gz JVFYORBJOFXHDD-UHFFFAOYSA-N 1 2 338.167 3.842 20 0 EHADLO C[C@H]1C[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H](C)C1 ZINC000341245514 1021173717 /nfs/dbraw/zinc/17/37/17/1021173717.db2.gz CFYGULYTDTYJJV-DZFIZOCASA-N 1 2 331.504 3.974 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc(F)cc1F ZINC000051119464 1021183477 /nfs/dbraw/zinc/18/34/77/1021183477.db2.gz GLWNJBQEYUKJMI-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc(F)cc1F ZINC000051119464 1021183482 /nfs/dbraw/zinc/18/34/82/1021183482.db2.gz GLWNJBQEYUKJMI-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)c2cccs2)c1 ZINC000510438879 1021209282 /nfs/dbraw/zinc/20/92/82/1021209282.db2.gz WRAASRGXRSMZNR-UHFFFAOYSA-N 1 2 339.464 3.950 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3C[C@]34CCCc3ccccc34)ccc2[nH+]1 ZINC000439170375 1021210740 /nfs/dbraw/zinc/21/07/40/1021210740.db2.gz OYOIGSGYSFBSJH-NQIIRXRSSA-N 1 2 331.419 3.875 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000664867478 1021217726 /nfs/dbraw/zinc/21/77/26/1021217726.db2.gz HJEKWLQCBBFHRK-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000664867478 1021217739 /nfs/dbraw/zinc/21/77/39/1021217739.db2.gz HJEKWLQCBBFHRK-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO COc1ccc(F)cc1-c1csc(NC(=O)C[NH+]2CCCC2)n1 ZINC000051126617 1021225061 /nfs/dbraw/zinc/22/50/61/1021225061.db2.gz AWVDNSPUSRCZAZ-UHFFFAOYSA-N 1 2 335.404 3.642 20 0 EHADLO COc1ccc([C@@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000426309973 1021233861 /nfs/dbraw/zinc/23/38/61/1021233861.db2.gz LXXXMRLERWUCJU-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccco1)OCO2 ZINC000449634960 1032968819 /nfs/dbraw/zinc/96/88/19/1032968819.db2.gz AXAXBSWHEANWCC-GOSISDBHSA-N 1 2 327.380 3.744 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1c1ccco1)OCO2 ZINC000449634960 1032968833 /nfs/dbraw/zinc/96/88/33/1032968833.db2.gz AXAXBSWHEANWCC-GOSISDBHSA-N 1 2 327.380 3.744 20 0 EHADLO C[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000449636871 1032969931 /nfs/dbraw/zinc/96/99/31/1032969931.db2.gz XNMLEXOLJHJNLO-QWRGUYRKSA-N 1 2 325.321 3.757 20 0 EHADLO C[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000449636871 1032969938 /nfs/dbraw/zinc/96/99/38/1032969938.db2.gz XNMLEXOLJHJNLO-QWRGUYRKSA-N 1 2 325.321 3.757 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000507513593 1021321339 /nfs/dbraw/zinc/32/13/39/1021321339.db2.gz ABDDSLFGVDQQOT-HUBLWGQQSA-N 1 2 328.239 3.781 20 0 EHADLO COc1cccc(C[C@H](C)[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000638610722 1021376733 /nfs/dbraw/zinc/37/67/33/1021376733.db2.gz XWXVZQJPAOJZSL-KBXCAEBGSA-N 1 2 328.460 3.656 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000518641035 1021385577 /nfs/dbraw/zinc/38/55/77/1021385577.db2.gz KNWACUHZDGUUJG-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1csc(-c3ccoc3)n1)C2 ZINC000664873501 1021389046 /nfs/dbraw/zinc/38/90/46/1021389046.db2.gz GANOFBSVBCWVIZ-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1csc(-c3ccoc3)n1)C2 ZINC000664873501 1021389062 /nfs/dbraw/zinc/38/90/62/1021389062.db2.gz GANOFBSVBCWVIZ-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)cs1 ZINC000276451008 1021396824 /nfs/dbraw/zinc/39/68/24/1021396824.db2.gz ZPYPAGVOBYUXMQ-AAEUAGOBSA-N 1 2 336.505 3.961 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nc(-c3ccccc3)no2)cc1C ZINC000507613688 1021399492 /nfs/dbraw/zinc/39/94/92/1021399492.db2.gz AEULWBDOBKHUJD-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nc(-c3ccccc3)no2)cc1C ZINC000507613688 1021399507 /nfs/dbraw/zinc/39/95/07/1021399507.db2.gz AEULWBDOBKHUJD-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3F)CC2)cc1 ZINC000507633192 1021411691 /nfs/dbraw/zinc/41/16/91/1021411691.db2.gz DBHRVQPEHSIVAQ-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO Cc1cscc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000426395779 1021470065 /nfs/dbraw/zinc/47/00/65/1021470065.db2.gz NIJZFNFHPKQWDJ-UHFFFAOYSA-N 1 2 346.500 3.655 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)s1 ZINC000437074514 1021525572 /nfs/dbraw/zinc/52/55/72/1021525572.db2.gz CXFJPVZESZGPLR-ZDUSSCGKSA-N 1 2 330.432 3.686 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638869888 1021530882 /nfs/dbraw/zinc/53/08/82/1021530882.db2.gz MSNRIPVPCXFJOT-UHFFFAOYSA-N 1 2 330.382 3.655 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000015296289 1021540209 /nfs/dbraw/zinc/54/02/09/1021540209.db2.gz HCXMTYCETBEPGM-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000015296289 1021540225 /nfs/dbraw/zinc/54/02/25/1021540225.db2.gz HCXMTYCETBEPGM-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)C2 ZINC000729479368 1021560132 /nfs/dbraw/zinc/56/01/32/1021560132.db2.gz INLJUYVERKKVME-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)C2 ZINC000729479368 1021560143 /nfs/dbraw/zinc/56/01/43/1021560143.db2.gz INLJUYVERKKVME-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO CCCc1ccc([C@H](NC(=O)N2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000519678208 1021604669 /nfs/dbraw/zinc/60/46/69/1021604669.db2.gz SHLMIDVHIUJLOA-LJQANCHMSA-N 1 2 340.471 3.758 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@H]2CCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000426458001 1021631654 /nfs/dbraw/zinc/63/16/54/1021631654.db2.gz HGBORRVFYDKCKT-BXUZGUMPSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@H]2CCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000426458001 1021631660 /nfs/dbraw/zinc/63/16/60/1021631660.db2.gz HGBORRVFYDKCKT-BXUZGUMPSA-N 1 2 348.295 3.642 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@H+]3CCOC[C@@H]3C)oc21 ZINC000440600275 1021638205 /nfs/dbraw/zinc/63/82/05/1021638205.db2.gz WSSOTSWUWMCPFN-NSHDSACASA-N 1 2 326.849 3.602 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@@H+]3CCOC[C@@H]3C)oc21 ZINC000440600275 1021638212 /nfs/dbraw/zinc/63/82/12/1021638212.db2.gz WSSOTSWUWMCPFN-NSHDSACASA-N 1 2 326.849 3.602 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000138357453 1032992634 /nfs/dbraw/zinc/99/26/34/1032992634.db2.gz PYTSLPKFZGUEJG-GFCCVEGCSA-N 1 2 335.810 3.947 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000138357453 1032992650 /nfs/dbraw/zinc/99/26/50/1032992650.db2.gz PYTSLPKFZGUEJG-GFCCVEGCSA-N 1 2 335.810 3.947 20 0 EHADLO FC(F)(F)c1cccc([C@H]2CCC[N@H+](Cc3csnn3)C2)c1 ZINC000289110005 1021671342 /nfs/dbraw/zinc/67/13/42/1021671342.db2.gz CSGSDEPZESDQBP-LBPRGKRZSA-N 1 2 327.375 3.937 20 0 EHADLO FC(F)(F)c1cccc([C@H]2CCC[N@@H+](Cc3csnn3)C2)c1 ZINC000289110005 1021671345 /nfs/dbraw/zinc/67/13/45/1021671345.db2.gz CSGSDEPZESDQBP-LBPRGKRZSA-N 1 2 327.375 3.937 20 0 EHADLO O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000439733680 1021678922 /nfs/dbraw/zinc/67/89/22/1021678922.db2.gz ONMVPPSFZMLZTL-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)CC(C)C)CC2)c1 ZINC000506668892 1021681614 /nfs/dbraw/zinc/68/16/14/1021681614.db2.gz JQCWMFWQNYXAKE-IRXDYDNUSA-N 1 2 347.503 3.518 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc(C)[nH+]1 ZINC000627787186 1021688108 /nfs/dbraw/zinc/68/81/08/1021688108.db2.gz JTHDFRPFCABPFJ-FGTMMUONSA-N 1 2 326.827 3.554 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)CCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891467714 1021699669 /nfs/dbraw/zinc/69/96/69/1021699669.db2.gz LXOJBHFRPRDMBG-UHFFFAOYSA-N 1 2 349.434 3.683 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)CCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891467714 1021699672 /nfs/dbraw/zinc/69/96/72/1021699672.db2.gz LXOJBHFRPRDMBG-UHFFFAOYSA-N 1 2 349.434 3.683 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000519851604 1021725734 /nfs/dbraw/zinc/72/57/34/1021725734.db2.gz RWQCWQARNLVMCD-UHFFFAOYSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000519851604 1021725750 /nfs/dbraw/zinc/72/57/50/1021725750.db2.gz RWQCWQARNLVMCD-UHFFFAOYSA-N 1 2 347.418 3.554 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)c(-c2cccs2)n1 ZINC000426500789 1021731879 /nfs/dbraw/zinc/73/18/79/1021731879.db2.gz VWEGTUIVRGALRM-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3ccc(F)cc3C2)c(-c2cccs2)n1 ZINC000426500789 1021731894 /nfs/dbraw/zinc/73/18/94/1021731894.db2.gz VWEGTUIVRGALRM-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)CC3 ZINC000729480754 1021738953 /nfs/dbraw/zinc/73/89/53/1021738953.db2.gz QDVWEFPIUKRZSX-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)CC3 ZINC000729480754 1021738967 /nfs/dbraw/zinc/73/89/67/1021738967.db2.gz QDVWEFPIUKRZSX-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000891486397 1021740273 /nfs/dbraw/zinc/74/02/73/1021740273.db2.gz IDJTYWYWDKSMNH-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO Cc1cc(F)ncc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000891486397 1021740291 /nfs/dbraw/zinc/74/02/91/1021740291.db2.gz IDJTYWYWDKSMNH-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1c(F)cccc1F ZINC000519002279 1021751776 /nfs/dbraw/zinc/75/17/76/1021751776.db2.gz ZPLKTEDSQSKTCQ-MCIONIFRSA-N 1 2 344.405 3.982 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)c1c(F)cccc1F)CC3 ZINC000729480518 1021762381 /nfs/dbraw/zinc/76/23/81/1021762381.db2.gz DBGVBKHKOJQJJT-IBGZPJMESA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)c1c(F)cccc1F)CC3 ZINC000729480518 1021762396 /nfs/dbraw/zinc/76/23/96/1021762396.db2.gz DBGVBKHKOJQJJT-IBGZPJMESA-N 1 2 342.389 3.846 20 0 EHADLO CC[C@H](F)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000440759855 1021765621 /nfs/dbraw/zinc/76/56/21/1021765621.db2.gz CVHHPABEEWEGIA-UGFHNGPFSA-N 1 2 330.241 3.959 20 0 EHADLO CC[C@H](F)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000440759855 1021765638 /nfs/dbraw/zinc/76/56/38/1021765638.db2.gz CVHHPABEEWEGIA-UGFHNGPFSA-N 1 2 330.241 3.959 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000519923237 1021780884 /nfs/dbraw/zinc/78/08/84/1021780884.db2.gz WAGYWUBVZRLHKC-UHFFFAOYSA-N 1 2 344.434 3.645 20 0 EHADLO O=C(NC[C@H]1CC=CCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000519055710 1021813981 /nfs/dbraw/zinc/81/39/81/1021813981.db2.gz SWAROTKVHVFIPQ-AWEZNQCLSA-N 1 2 334.489 3.607 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000593696032 1033008410 /nfs/dbraw/zinc/00/84/10/1033008410.db2.gz BHVCDVYDVXKFGB-CYBMUJFWSA-N 1 2 335.473 3.690 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000593696032 1033008429 /nfs/dbraw/zinc/00/84/29/1033008429.db2.gz BHVCDVYDVXKFGB-CYBMUJFWSA-N 1 2 335.473 3.690 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cccc2c1NCCC2)c1nc(C2CC2)no1 ZINC000894391478 1021829495 /nfs/dbraw/zinc/82/94/95/1021829495.db2.gz ITHFOQYURBRWCQ-MRXNPFEDSA-N 1 2 326.444 3.792 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc5c(c4)C[C@H](C)O5)n3)[nH+]c12 ZINC000664776554 1021839972 /nfs/dbraw/zinc/83/99/72/1021839972.db2.gz CXZWHYPHNXPIMN-ZDUSSCGKSA-N 1 2 346.390 3.607 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000593698079 1033011084 /nfs/dbraw/zinc/01/10/84/1033011084.db2.gz OTSPCHKTFPZWKB-AWEZNQCLSA-N 1 2 333.432 3.530 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000593698079 1033011094 /nfs/dbraw/zinc/01/10/94/1033011094.db2.gz OTSPCHKTFPZWKB-AWEZNQCLSA-N 1 2 333.432 3.530 20 0 EHADLO COc1cc(Br)cc(OC)c1C[N@@H+]1CC[C@](C)(CF)C1 ZINC001232692904 1033012712 /nfs/dbraw/zinc/01/27/12/1033012712.db2.gz BPVDRGPITYUTIP-OAHLLOKOSA-N 1 2 346.240 3.648 20 0 EHADLO COc1cc(Br)cc(OC)c1C[N@H+]1CC[C@](C)(CF)C1 ZINC001232692904 1033012726 /nfs/dbraw/zinc/01/27/26/1033012726.db2.gz BPVDRGPITYUTIP-OAHLLOKOSA-N 1 2 346.240 3.648 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC(C(F)(F)F)C1 ZINC000894894956 1021893493 /nfs/dbraw/zinc/89/34/93/1021893493.db2.gz DFVHHUSABLGIDZ-UHFFFAOYSA-N 1 2 327.325 3.622 20 0 EHADLO FC(F)(F)c1cnc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000278774413 1033015261 /nfs/dbraw/zinc/01/52/61/1033015261.db2.gz YQAJUVTZLJAXJO-NSHDSACASA-N 1 2 345.390 3.682 20 0 EHADLO COCC[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1scnc1C ZINC000426562114 1021931250 /nfs/dbraw/zinc/93/12/50/1021931250.db2.gz ZIKLJMZBZLSJGS-UHFFFAOYSA-N 1 2 339.530 3.854 20 0 EHADLO COCC[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1scnc1C ZINC000426562114 1021931268 /nfs/dbraw/zinc/93/12/68/1021931268.db2.gz ZIKLJMZBZLSJGS-UHFFFAOYSA-N 1 2 339.530 3.854 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000891561745 1021940289 /nfs/dbraw/zinc/94/02/89/1021940289.db2.gz DZXOJCQAXBXDAQ-GFCCVEGCSA-N 1 2 326.462 3.706 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000891561745 1021940299 /nfs/dbraw/zinc/94/02/99/1021940299.db2.gz DZXOJCQAXBXDAQ-GFCCVEGCSA-N 1 2 326.462 3.706 20 0 EHADLO COc1cccc2c(N3CCC(Oc4ncccc4C)CC3)cc[nH+]c12 ZINC000517003253 1021949220 /nfs/dbraw/zinc/94/92/20/1021949220.db2.gz VKOJWOUYWYOORG-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cc1OC ZINC000925066118 1021955233 /nfs/dbraw/zinc/95/52/33/1021955233.db2.gz XDMTZALGSBDSFG-STQMWFEESA-N 1 2 347.434 3.788 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000298996410 1021966641 /nfs/dbraw/zinc/96/66/41/1021966641.db2.gz LNYSMLHLIBZOTH-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673435 1033019248 /nfs/dbraw/zinc/01/92/48/1033019248.db2.gz OVEFNSBETQCMQS-PELKAZGASA-N 1 2 346.151 3.878 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673435 1033019265 /nfs/dbraw/zinc/01/92/65/1033019265.db2.gz OVEFNSBETQCMQS-PELKAZGASA-N 1 2 346.151 3.878 20 0 EHADLO CC[N@@H+](Cc1c(Br)cncc1Br)CC1CC1 ZINC000517061715 1021987964 /nfs/dbraw/zinc/98/79/64/1021987964.db2.gz FDFTUYHPHTTZCE-UHFFFAOYSA-N 1 2 348.082 3.839 20 0 EHADLO CC[N@H+](Cc1c(Br)cncc1Br)CC1CC1 ZINC000517061715 1021987970 /nfs/dbraw/zinc/98/79/70/1021987970.db2.gz FDFTUYHPHTTZCE-UHFFFAOYSA-N 1 2 348.082 3.839 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCOC1 ZINC000437619398 1022006659 /nfs/dbraw/zinc/00/66/59/1022006659.db2.gz IAFANAJRGXHTEA-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCOC1 ZINC000437619398 1022006647 /nfs/dbraw/zinc/00/66/47/1022006647.db2.gz IAFANAJRGXHTEA-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(C)o1 ZINC000276625747 1022021382 /nfs/dbraw/zinc/02/13/82/1022021382.db2.gz MWCLZGNNGQIIBJ-QGZVFWFLSA-N 1 2 325.412 3.641 20 0 EHADLO CCCCCc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000517119545 1022044410 /nfs/dbraw/zinc/04/44/10/1022044410.db2.gz ZKZSRJRVHXRRAO-IRXDYDNUSA-N 1 2 347.503 3.650 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1)OC ZINC000437799163 1022150378 /nfs/dbraw/zinc/15/03/78/1022150378.db2.gz VLZJFFGQEVSTSG-INIZCTEOSA-N 1 2 332.448 3.606 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000083019071 1022152817 /nfs/dbraw/zinc/15/28/17/1022152817.db2.gz CCLKTTCHDNUVST-CABCVRRESA-N 1 2 348.878 3.760 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000073645058 1022152843 /nfs/dbraw/zinc/15/28/43/1022152843.db2.gz BRIXXERBGJPCGK-DYESRHJHSA-N 1 2 348.446 3.972 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000437829595 1022166459 /nfs/dbraw/zinc/16/64/59/1022166459.db2.gz SNHZATFNWZSIDB-YWZLYKJASA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000437829595 1022166464 /nfs/dbraw/zinc/16/64/64/1022166464.db2.gz SNHZATFNWZSIDB-YWZLYKJASA-N 1 2 336.435 3.533 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnc2cc(C)ccn12 ZINC000506149200 1022204725 /nfs/dbraw/zinc/20/47/25/1022204725.db2.gz WNZIILWASREXGB-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000506149200 1022204734 /nfs/dbraw/zinc/20/47/34/1022204734.db2.gz WNZIILWASREXGB-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO Cc1cn2cc(NC(=O)c3ncoc3-c3ccc(F)cc3)ccc2[nH+]1 ZINC000471790368 1022224317 /nfs/dbraw/zinc/22/43/17/1022224317.db2.gz FOTCXSBZHCTZOD-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000045954000 1022251149 /nfs/dbraw/zinc/25/11/49/1022251149.db2.gz REPWUXZOYWMPBS-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001167990201 1022257065 /nfs/dbraw/zinc/25/70/65/1022257065.db2.gz OVOBDIWLLXRYQN-UHFFFAOYSA-N 1 2 341.777 3.968 20 0 EHADLO O=C1[C@@H](Nc2cccc[nH+]2)CCCN1c1ccc(Cl)cc1Cl ZINC000473912552 1022273670 /nfs/dbraw/zinc/27/36/70/1022273670.db2.gz OXXLEOUJVYMWLK-ZDUSSCGKSA-N 1 2 336.222 3.996 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F)CSCC2 ZINC000894940038 1022276203 /nfs/dbraw/zinc/27/62/03/1022276203.db2.gz GYAVMEYDJGWXGJ-QGZVFWFLSA-N 1 2 349.450 3.825 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F)CSCC2 ZINC000894940038 1022276210 /nfs/dbraw/zinc/27/62/10/1022276210.db2.gz GYAVMEYDJGWXGJ-QGZVFWFLSA-N 1 2 349.450 3.825 20 0 EHADLO CC(C)Cn1nccc1C[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000647197918 1022283270 /nfs/dbraw/zinc/28/32/70/1022283270.db2.gz UXLAOSXRUZQHPI-FQEVSTJZSA-N 1 2 338.430 3.952 20 0 EHADLO Cc1scc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1C ZINC000631142639 1022290240 /nfs/dbraw/zinc/29/02/40/1022290240.db2.gz KBOIDMVMOQELRS-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO CCCN1CCC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)CC1=O ZINC000471805545 1022306823 /nfs/dbraw/zinc/30/68/23/1022306823.db2.gz RQZLEXPWDURAQH-UHFFFAOYSA-N 1 2 343.496 3.563 20 0 EHADLO CCCN1CCC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)CC1=O ZINC000471805545 1022306835 /nfs/dbraw/zinc/30/68/35/1022306835.db2.gz RQZLEXPWDURAQH-UHFFFAOYSA-N 1 2 343.496 3.563 20 0 EHADLO CSc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)nc1 ZINC000341561042 1022327608 /nfs/dbraw/zinc/32/76/08/1022327608.db2.gz JLOMGFNBJKFMCB-HNNXBMFYSA-N 1 2 335.860 3.698 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)cs1 ZINC000291660639 1022329095 /nfs/dbraw/zinc/32/90/95/1022329095.db2.gz FAWDQSBOZXWFMW-GOSISDBHSA-N 1 2 343.496 3.992 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)on1 ZINC000602637709 1033047803 /nfs/dbraw/zinc/04/78/03/1033047803.db2.gz PMLAUMIVYHDESA-AWEZNQCLSA-N 1 2 342.317 3.553 20 0 EHADLO CC(C)C1CC[NH+](Cn2c(Cc3cccs3)n[nH]c2=S)CC1 ZINC000172956372 1033047998 /nfs/dbraw/zinc/04/79/98/1033047998.db2.gz ZKWVUENACQEIBT-UHFFFAOYSA-N 1 2 336.530 3.918 20 0 EHADLO CC(C)C1CC[NH+](Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000172955665 1033048213 /nfs/dbraw/zinc/04/82/13/1033048213.db2.gz HXSWMYSUPPXHGC-UHFFFAOYSA-N 1 2 326.535 3.600 20 0 EHADLO Cc1cnccc1/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125544530 1022378047 /nfs/dbraw/zinc/37/80/47/1022378047.db2.gz LNEKJUHNHWPOMB-GORDUTHDSA-N 1 2 338.798 3.881 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCC[C@H]2CCOC2)c1 ZINC000438084210 1022383291 /nfs/dbraw/zinc/38/32/91/1022383291.db2.gz XRGPUDMITYNFTR-HNNXBMFYSA-N 1 2 331.485 3.614 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC[C@H]2CCOC2)c1 ZINC000438084210 1022383310 /nfs/dbraw/zinc/38/33/10/1022383310.db2.gz XRGPUDMITYNFTR-HNNXBMFYSA-N 1 2 331.485 3.614 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458880322 1022388280 /nfs/dbraw/zinc/38/82/80/1022388280.db2.gz JZWZDTZGPVAPMU-BETUJISGSA-N 1 2 332.835 3.608 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458880323 1022388719 /nfs/dbraw/zinc/38/87/19/1022388719.db2.gz JZWZDTZGPVAPMU-CHWSQXEVSA-N 1 2 332.835 3.608 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccco1 ZINC000341586378 1022410511 /nfs/dbraw/zinc/41/05/11/1022410511.db2.gz PHQFKLPPDRTZGS-QGZVFWFLSA-N 1 2 336.395 3.512 20 0 EHADLO Cc1cc(NCc2ncc(Br)s2)nc(C2CCC2)[nH+]1 ZINC000895036669 1022411264 /nfs/dbraw/zinc/41/12/64/1022411264.db2.gz ZOYKXGLNUIRNPZ-UHFFFAOYSA-N 1 2 339.262 3.884 20 0 EHADLO COc1ccccc1[C@@H]1CN(c2cc(C)[nH+]c(C3CCC3)n2)CCO1 ZINC000895028219 1022418637 /nfs/dbraw/zinc/41/86/37/1022418637.db2.gz CIANSHCXPZHEJR-SFHVURJKSA-N 1 2 339.439 3.639 20 0 EHADLO CC1(C)CN(Cc2c[nH+]cn2Cc2ccccc2)[C@H]1c1cccnc1 ZINC000664823841 1022437395 /nfs/dbraw/zinc/43/73/95/1022437395.db2.gz PYEJARSXAUXKAB-FQEVSTJZSA-N 1 2 332.451 3.910 20 0 EHADLO Cc1ccc2cc(C[NH2+][C@@H](CO)c3c(F)cccc3F)ccc2n1 ZINC000438198328 1022452193 /nfs/dbraw/zinc/45/21/93/1022452193.db2.gz JJOORPVFIIAHOO-SFHVURJKSA-N 1 2 328.362 3.645 20 0 EHADLO COC(=O)c1[nH]c2ccccc2c1C[NH2+]Cc1nc(C(C)C)cs1 ZINC000894350554 1022471431 /nfs/dbraw/zinc/47/14/31/1022471431.db2.gz QLKBKODRYLLWBM-UHFFFAOYSA-N 1 2 343.452 3.824 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000101543956 1022505047 /nfs/dbraw/zinc/50/50/47/1022505047.db2.gz JWODYIPJBNKYDB-LJQANCHMSA-N 1 2 343.398 3.625 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000086366498 1022511903 /nfs/dbraw/zinc/51/19/03/1022511903.db2.gz PNBAFSANPLTYBS-MRXNPFEDSA-N 1 2 340.471 3.650 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000425970219 1022524250 /nfs/dbraw/zinc/52/42/50/1022524250.db2.gz ZIAVMMZWCWMIBG-GFCCVEGCSA-N 1 2 326.824 3.979 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000425970219 1022524259 /nfs/dbraw/zinc/52/42/59/1022524259.db2.gz ZIAVMMZWCWMIBG-GFCCVEGCSA-N 1 2 326.824 3.979 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCc1cccc(F)c1 ZINC000438294220 1022527031 /nfs/dbraw/zinc/52/70/31/1022527031.db2.gz RCDXWQALZDPRHK-LJQANCHMSA-N 1 2 329.415 3.522 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000438302078 1022542561 /nfs/dbraw/zinc/54/25/61/1022542561.db2.gz HGBSYGLJVYYVKD-DNVCBOLYSA-N 1 2 329.415 3.612 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc2ccc(Cl)cc2n1 ZINC000438331950 1022556700 /nfs/dbraw/zinc/55/67/00/1022556700.db2.gz PIUYPOKXMGQIQM-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000476229917 1033066945 /nfs/dbraw/zinc/06/69/45/1033066945.db2.gz SVTYGXDOQGFDQY-CRAIPNDOSA-N 1 2 332.463 3.857 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000330457691 1022585380 /nfs/dbraw/zinc/58/53/80/1022585380.db2.gz OUQMSLYWNUGBSU-JTQLQIEISA-N 1 2 331.243 3.902 20 0 EHADLO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000330457691 1022585390 /nfs/dbraw/zinc/58/53/90/1022585390.db2.gz OUQMSLYWNUGBSU-JTQLQIEISA-N 1 2 331.243 3.902 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833610 1022589373 /nfs/dbraw/zinc/58/93/73/1022589373.db2.gz QECNAFQZVSFQSZ-FZKQIMNGSA-N 1 2 334.423 3.612 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833610 1022589379 /nfs/dbraw/zinc/58/93/79/1022589379.db2.gz QECNAFQZVSFQSZ-FZKQIMNGSA-N 1 2 334.423 3.612 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CCCS3)n2)O1 ZINC000665004919 1022643911 /nfs/dbraw/zinc/64/39/11/1022643911.db2.gz JATQJLWBJLTJIK-FVQBIDKESA-N 1 2 345.468 3.600 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CCCS3)n2)O1 ZINC000665004919 1022643916 /nfs/dbraw/zinc/64/39/16/1022643916.db2.gz JATQJLWBJLTJIK-FVQBIDKESA-N 1 2 345.468 3.600 20 0 EHADLO CCC(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009269 1022691389 /nfs/dbraw/zinc/69/13/89/1022691389.db2.gz LFBAACLJOFICPS-PBHICJAKSA-N 1 2 329.444 3.935 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2ccccc2OCC(F)F)cn1 ZINC000894660093 1022691526 /nfs/dbraw/zinc/69/15/26/1022691526.db2.gz ISMUQYBUGJYVON-UHFFFAOYSA-N 1 2 335.398 3.876 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2ccccc2OCC(F)F)cn1 ZINC000894660093 1022691532 /nfs/dbraw/zinc/69/15/32/1022691532.db2.gz ISMUQYBUGJYVON-UHFFFAOYSA-N 1 2 335.398 3.876 20 0 EHADLO CCC(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009269 1022691399 /nfs/dbraw/zinc/69/13/99/1022691399.db2.gz LFBAACLJOFICPS-PBHICJAKSA-N 1 2 329.444 3.935 20 0 EHADLO Cn1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)nc2ccc(Cl)cc21 ZINC000438480026 1022703172 /nfs/dbraw/zinc/70/31/72/1022703172.db2.gz DHEWFDRCRWCSPI-CQSZACIVSA-N 1 2 345.805 3.979 20 0 EHADLO C[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000438503808 1022717117 /nfs/dbraw/zinc/71/71/17/1022717117.db2.gz ZQQSOZJPAWAMEI-IBGZPJMESA-N 1 2 330.378 3.567 20 0 EHADLO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000438503808 1022717125 /nfs/dbraw/zinc/71/71/25/1022717125.db2.gz ZQQSOZJPAWAMEI-IBGZPJMESA-N 1 2 330.378 3.567 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000780496465 1022740772 /nfs/dbraw/zinc/74/07/72/1022740772.db2.gz UCCKZSXTLSYUEK-MRXNPFEDSA-N 1 2 339.361 3.551 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000780496465 1022740778 /nfs/dbraw/zinc/74/07/78/1022740778.db2.gz UCCKZSXTLSYUEK-MRXNPFEDSA-N 1 2 339.361 3.551 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NNc1cc(C)cc[nH+]1 ZINC000088424526 1022766680 /nfs/dbraw/zinc/76/66/80/1022766680.db2.gz FZSIKMVKJCOWHW-UHFFFAOYSA-N 1 2 327.409 3.756 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000053025300 1022801680 /nfs/dbraw/zinc/80/16/80/1022801680.db2.gz ZLHRIKPWSQMMBE-MRXNPFEDSA-N 1 2 341.455 3.661 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000430899040 1022847823 /nfs/dbraw/zinc/84/78/23/1022847823.db2.gz GIJGCXZMUKUDSM-MRXNPFEDSA-N 1 2 340.471 3.819 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC000409844734 1022848715 /nfs/dbraw/zinc/84/87/15/1022848715.db2.gz SFYDJAJAAATVBB-OAHLLOKOSA-N 1 2 345.817 3.839 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2sccc2C)cc1 ZINC000008309908 1022853007 /nfs/dbraw/zinc/85/30/07/1022853007.db2.gz ITCNNNYEIPWFND-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2sccc2C)cc1 ZINC000008309908 1022853027 /nfs/dbraw/zinc/85/30/27/1022853027.db2.gz ITCNNNYEIPWFND-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157217701 1022858221 /nfs/dbraw/zinc/85/82/21/1022858221.db2.gz XTWDOWDFGYEJHJ-AWEZNQCLSA-N 1 2 329.444 3.886 20 0 EHADLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157217701 1022858241 /nfs/dbraw/zinc/85/82/41/1022858241.db2.gz XTWDOWDFGYEJHJ-AWEZNQCLSA-N 1 2 329.444 3.886 20 0 EHADLO O[C@H](C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C(F)(F)F ZINC000305139685 1022863966 /nfs/dbraw/zinc/86/39/66/1022863966.db2.gz LYWKYZMAUDNZML-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO CC(C)(O)c1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000326516109 1022901126 /nfs/dbraw/zinc/90/11/26/1022901126.db2.gz LCXAIXYDLZAZNM-UHFFFAOYSA-N 1 2 325.456 3.911 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729470895 1022909918 /nfs/dbraw/zinc/90/99/18/1022909918.db2.gz CNZJGSBIPZSJKQ-QGZVFWFLSA-N 1 2 348.491 3.936 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729470895 1022909931 /nfs/dbraw/zinc/90/99/31/1022909931.db2.gz CNZJGSBIPZSJKQ-QGZVFWFLSA-N 1 2 348.491 3.936 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000341666460 1022931939 /nfs/dbraw/zinc/93/19/39/1022931939.db2.gz FVJRYTWHPMFGIJ-OAHLLOKOSA-N 1 2 347.459 3.756 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000341666460 1022931950 /nfs/dbraw/zinc/93/19/50/1022931950.db2.gz FVJRYTWHPMFGIJ-OAHLLOKOSA-N 1 2 347.459 3.756 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)n1 ZINC000438697296 1022932902 /nfs/dbraw/zinc/93/29/02/1022932902.db2.gz NKYUWPJGZUUAGQ-UHFFFAOYSA-N 1 2 329.444 3.663 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)n1 ZINC000438697296 1022932912 /nfs/dbraw/zinc/93/29/12/1022932912.db2.gz NKYUWPJGZUUAGQ-UHFFFAOYSA-N 1 2 329.444 3.663 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891833893 1023001501 /nfs/dbraw/zinc/00/15/01/1023001501.db2.gz VWXMYWJPFWNWOB-MRXNPFEDSA-N 1 2 336.483 3.634 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000506369680 1023012365 /nfs/dbraw/zinc/01/23/65/1023012365.db2.gz MKXPLKDUBWSVPZ-OAQYLSRUSA-N 1 2 340.442 3.999 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000506369680 1023012376 /nfs/dbraw/zinc/01/23/76/1023012376.db2.gz MKXPLKDUBWSVPZ-OAQYLSRUSA-N 1 2 340.442 3.999 20 0 EHADLO O=C1NCC[N@H+](CCCSCc2ccccc2)[C@@H]1c1cccs1 ZINC000341685257 1023015477 /nfs/dbraw/zinc/01/54/77/1023015477.db2.gz FHDWJFNIJMALMO-QGZVFWFLSA-N 1 2 346.521 3.545 20 0 EHADLO O=C1NCC[N@@H+](CCCSCc2ccccc2)[C@@H]1c1cccs1 ZINC000341685257 1023015482 /nfs/dbraw/zinc/01/54/82/1023015482.db2.gz FHDWJFNIJMALMO-QGZVFWFLSA-N 1 2 346.521 3.545 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC(C)C)c(C)c1 ZINC000506375992 1023032794 /nfs/dbraw/zinc/03/27/94/1023032794.db2.gz XPXHEZYMSPMESK-PKOBYXMFSA-N 1 2 342.487 3.975 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000189487616 1023038262 /nfs/dbraw/zinc/03/82/62/1023038262.db2.gz SUDGLGUUZSWEAL-IFXJQAMLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CO)cc1 ZINC000189487616 1023038272 /nfs/dbraw/zinc/03/82/72/1023038272.db2.gz SUDGLGUUZSWEAL-IFXJQAMLSA-N 1 2 331.843 3.794 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000189553892 1023052285 /nfs/dbraw/zinc/05/22/85/1023052285.db2.gz FYPLHIWRKBDXJB-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429621329 1023068882 /nfs/dbraw/zinc/06/88/82/1023068882.db2.gz BIFLFBKFURDKLL-UHFFFAOYSA-N 1 2 337.427 3.673 20 0 EHADLO COCc1ccccc1/C=C(/C)CN1CC[NH+](Cc2ccco2)CC1 ZINC000507048177 1023097424 /nfs/dbraw/zinc/09/74/24/1023097424.db2.gz OMMQXCXFALHKBF-JXAWBTAJSA-N 1 2 340.467 3.647 20 0 EHADLO Oc1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1Cl ZINC000507143292 1023146776 /nfs/dbraw/zinc/14/67/76/1023146776.db2.gz LGAWURJJWVLWAQ-UHFFFAOYSA-N 1 2 334.822 3.503 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000366735969 1023154226 /nfs/dbraw/zinc/15/42/26/1023154226.db2.gz GPTOFJOSYUEJOV-WZPWBUNQSA-N 1 2 343.858 3.612 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068748 1023160635 /nfs/dbraw/zinc/16/06/35/1023160635.db2.gz KGHTVLSESZHNTC-FOWTUZBSSA-N 1 2 337.467 3.897 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068748 1023160642 /nfs/dbraw/zinc/16/06/42/1023160642.db2.gz KGHTVLSESZHNTC-FOWTUZBSSA-N 1 2 337.467 3.897 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000471917111 1023163564 /nfs/dbraw/zinc/16/35/64/1023163564.db2.gz CYQCVZZEACWXSG-INIZCTEOSA-N 1 2 347.503 3.605 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000471917111 1023163569 /nfs/dbraw/zinc/16/35/69/1023163569.db2.gz CYQCVZZEACWXSG-INIZCTEOSA-N 1 2 347.503 3.605 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cc(C(N)=O)cs2)c1 ZINC000507199610 1023177782 /nfs/dbraw/zinc/17/77/82/1023177782.db2.gz AVKAEKJIXMTSNM-UHFFFAOYSA-N 1 2 340.448 3.951 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cc(C(N)=O)cs2)c1 ZINC000507199610 1023177789 /nfs/dbraw/zinc/17/77/89/1023177789.db2.gz AVKAEKJIXMTSNM-UHFFFAOYSA-N 1 2 340.448 3.951 20 0 EHADLO CCn1nccc1[C@@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343284566 1023179918 /nfs/dbraw/zinc/17/99/18/1023179918.db2.gz VBVXDHLFKVCQTH-IAQYHMDHSA-N 1 2 340.349 3.507 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1csc(C(F)(F)F)c1 ZINC000926276521 1023190088 /nfs/dbraw/zinc/19/00/88/1023190088.db2.gz XHGQKWRRRDDPCJ-YUMQZZPRSA-N 1 2 331.367 3.500 20 0 EHADLO Brc1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)nc1 ZINC000518296119 1023199823 /nfs/dbraw/zinc/19/98/23/1023199823.db2.gz DJFIDOPWGXIRNV-UHFFFAOYSA-N 1 2 334.221 3.732 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000427081865 1023204188 /nfs/dbraw/zinc/20/41/88/1023204188.db2.gz UJRWKZIEAQXICF-DLBZAZTESA-N 1 2 330.447 3.777 20 0 EHADLO CSCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441493606 1023231809 /nfs/dbraw/zinc/23/18/09/1023231809.db2.gz TZBRCMPNHYOABN-QGZVFWFLSA-N 1 2 331.485 3.501 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3c2cccc3C(F)(F)F)c[nH+]1 ZINC000459072355 1023237943 /nfs/dbraw/zinc/23/79/43/1023237943.db2.gz IGPCZWUHKWDLEA-UHFFFAOYSA-N 1 2 349.356 3.990 20 0 EHADLO Cc1cc2cc(C[NH+]3CCN(C(=O)C(C)(C)C)CC3)oc2cc1C ZINC000506475837 1023238368 /nfs/dbraw/zinc/23/83/68/1023238368.db2.gz BLNAXCXIFPSIGZ-UHFFFAOYSA-N 1 2 328.456 3.740 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1)C1CCCCC1 ZINC000440493119 1023243967 /nfs/dbraw/zinc/24/39/67/1023243967.db2.gz YYFDIDAUBFNGFM-INIZCTEOSA-N 1 2 346.519 3.602 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1)C1CCCCC1 ZINC000440493119 1023243973 /nfs/dbraw/zinc/24/39/73/1023243973.db2.gz YYFDIDAUBFNGFM-INIZCTEOSA-N 1 2 346.519 3.602 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000507339863 1023256289 /nfs/dbraw/zinc/25/62/89/1023256289.db2.gz NNKLIWBZFUOTRA-VQIMIIECSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000507339863 1023256294 /nfs/dbraw/zinc/25/62/94/1023256294.db2.gz NNKLIWBZFUOTRA-VQIMIIECSA-N 1 2 343.398 3.538 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3c1OCO3)[C@@H]2c1ccccc1 ZINC000507351952 1023260665 /nfs/dbraw/zinc/26/06/65/1023260665.db2.gz HLFJNAXGXXNXAV-HXUWFJFHSA-N 1 2 332.403 3.822 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3c1OCO3)[C@@H]2c1ccccc1 ZINC000507351952 1023260674 /nfs/dbraw/zinc/26/06/74/1023260674.db2.gz HLFJNAXGXXNXAV-HXUWFJFHSA-N 1 2 332.403 3.822 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1C(F)(F)F ZINC000190188099 1023268282 /nfs/dbraw/zinc/26/82/82/1023268282.db2.gz PAUMAIDYEZBVPH-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1C(F)(F)F ZINC000190188099 1023268309 /nfs/dbraw/zinc/26/83/09/1023268309.db2.gz PAUMAIDYEZBVPH-LLVKDONJSA-N 1 2 329.322 3.740 20 0 EHADLO CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000593961744 1033128427 /nfs/dbraw/zinc/12/84/27/1033128427.db2.gz LAHXMUOXFBKFEH-UHFFFAOYSA-N 1 2 343.427 3.713 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000471949629 1023403385 /nfs/dbraw/zinc/40/33/85/1023403385.db2.gz XFEMRPZUDUYONS-CJNGLKHVSA-N 1 2 325.437 3.821 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC(C(C)C)CC1 ZINC000476318108 1033132444 /nfs/dbraw/zinc/13/24/44/1033132444.db2.gz HCMBGFNADDLHLW-UHFFFAOYSA-N 1 2 349.425 3.954 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]CCSC2CCCCC2)no1 ZINC000352704227 1023462678 /nfs/dbraw/zinc/46/26/78/1023462678.db2.gz DNFNPPKITQDRHH-ZDUSSCGKSA-N 1 2 327.494 3.711 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3F)cnc2n1 ZINC000449737455 1033136592 /nfs/dbraw/zinc/13/65/92/1033136592.db2.gz YTULOUZOJUOYHT-GOSISDBHSA-N 1 2 342.393 3.961 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3F)cnc2n1 ZINC000449737455 1033136602 /nfs/dbraw/zinc/13/66/02/1033136602.db2.gz YTULOUZOJUOYHT-GOSISDBHSA-N 1 2 342.393 3.961 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341883416 1023529414 /nfs/dbraw/zinc/52/94/14/1023529414.db2.gz FNJJPEAMYDFGSH-KRWDZBQOSA-N 1 2 347.503 3.687 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]Cc1cc[nH]n1 ZINC000535713978 1023578994 /nfs/dbraw/zinc/57/89/94/1023578994.db2.gz MRUMTHWBCXCLKC-UHFFFAOYSA-N 1 2 343.862 3.836 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000684594779 1023603883 /nfs/dbraw/zinc/60/38/83/1023603883.db2.gz MOXUBMWKXFURTQ-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000684594779 1023603884 /nfs/dbraw/zinc/60/38/84/1023603884.db2.gz MOXUBMWKXFURTQ-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1csc(-c3ccsc3)n1)CC2 ZINC000277003948 1023673518 /nfs/dbraw/zinc/67/35/18/1023673518.db2.gz WUFRPUUWQOBSCC-UHFFFAOYSA-N 1 2 329.450 3.531 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1csc(-c3ccsc3)n1)CC2 ZINC000277003948 1023673521 /nfs/dbraw/zinc/67/35/21/1023673521.db2.gz WUFRPUUWQOBSCC-UHFFFAOYSA-N 1 2 329.450 3.531 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)s1 ZINC000602784674 1033158339 /nfs/dbraw/zinc/15/83/39/1033158339.db2.gz VHQSPFJVQUGGFV-HNNXBMFYSA-N 1 2 348.493 3.610 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCS[C@H](c3ccccc3)C2)s1 ZINC000602784674 1033158346 /nfs/dbraw/zinc/15/83/46/1033158346.db2.gz VHQSPFJVQUGGFV-HNNXBMFYSA-N 1 2 348.493 3.610 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)cnc1Cl ZINC000277077366 1023749198 /nfs/dbraw/zinc/74/91/98/1023749198.db2.gz MBJORDRCAURIMZ-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO O=C(NCc1ccc(C2CCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000277140543 1023826147 /nfs/dbraw/zinc/82/61/47/1023826147.db2.gz CVNQQECTLGPERS-UHFFFAOYSA-N 1 2 338.455 3.697 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000065189348 1023876231 /nfs/dbraw/zinc/87/62/31/1023876231.db2.gz ZGTISMXALABBIH-INIZCTEOSA-N 1 2 348.288 3.866 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000065189348 1023876236 /nfs/dbraw/zinc/87/62/36/1023876236.db2.gz ZGTISMXALABBIH-INIZCTEOSA-N 1 2 348.288 3.866 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(F)CC1)c1cc2ccccc2o1 ZINC000684623802 1023897879 /nfs/dbraw/zinc/89/78/79/1023897879.db2.gz ICEDAUAKKFEVKL-OLZOCXBDSA-N 1 2 336.382 3.730 20 0 EHADLO COc1cccc2c(NCc3nnc(C(C)(C)C)[nH]3)c(C)c[nH+]c12 ZINC000413422619 1023922428 /nfs/dbraw/zinc/92/24/28/1023922428.db2.gz YJEIENOBPVOTGV-UHFFFAOYSA-N 1 2 325.416 3.580 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884108 1023941012 /nfs/dbraw/zinc/94/10/12/1023941012.db2.gz AYNNJHLYEVJVSL-WMZOPIPTSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884108 1023941017 /nfs/dbraw/zinc/94/10/17/1023941017.db2.gz AYNNJHLYEVJVSL-WMZOPIPTSA-N 1 2 338.854 3.921 20 0 EHADLO O=C(N[C@H]1CCCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000888252569 1023955522 /nfs/dbraw/zinc/95/55/22/1023955522.db2.gz OMNDTXHMLPMTDX-NRFANRHFSA-N 1 2 345.446 3.609 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)c(F)c1 ZINC000046468127 1033174799 /nfs/dbraw/zinc/17/47/99/1033174799.db2.gz MUCRLRGDFVGIQA-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CC2(CC2(F)F)C1 ZINC000895200836 1023960663 /nfs/dbraw/zinc/96/06/63/1023960663.db2.gz UMCOZKZETHSFJD-UHFFFAOYSA-N 1 2 330.400 3.936 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000192257696 1023963265 /nfs/dbraw/zinc/96/32/65/1023963265.db2.gz CGDHSPLWQJTBHX-YESZJQIVSA-N 1 2 334.508 3.692 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cn(-c2ccccc2)nn1 ZINC000150859456 1023967990 /nfs/dbraw/zinc/96/79/90/1023967990.db2.gz YRKZJAZVUZTRRF-CYBMUJFWSA-N 1 2 344.365 3.720 20 0 EHADLO CCOc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468997 1033176199 /nfs/dbraw/zinc/17/61/99/1033176199.db2.gz XBFMOARHPBIZFC-MRXNPFEDSA-N 1 2 330.432 3.518 20 0 EHADLO CCc1ccc([C@@H](C[NH2+]Cc2c(F)ccc(O)c2F)N(C)C)cc1 ZINC000509616463 1023971877 /nfs/dbraw/zinc/97/18/77/1023971877.db2.gz IKMYVTSTQLUKDY-QGZVFWFLSA-N 1 2 334.410 3.625 20 0 EHADLO O=c1cc[nH]c2cc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)ccc12 ZINC000895207925 1023973423 /nfs/dbraw/zinc/97/34/23/1023973423.db2.gz YRMSITOKODXPOT-KRWDZBQOSA-N 1 2 342.389 3.884 20 0 EHADLO CCc1ccccc1O[C@@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000443462012 1023979341 /nfs/dbraw/zinc/97/93/41/1023979341.db2.gz OXJIPDOHPBKUQK-HXUWFJFHSA-N 1 2 349.434 3.717 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2ccc(F)cc2)CCCCC1 ZINC000522189218 1024012550 /nfs/dbraw/zinc/01/25/50/1024012550.db2.gz IMFCQTOONFDXAW-UHFFFAOYSA-N 1 2 343.446 3.821 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)on1 ZINC000513995162 1024023733 /nfs/dbraw/zinc/02/37/33/1024023733.db2.gz UGOOOWYYKSLKSS-MLGOLLRUSA-N 1 2 347.846 3.628 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CCC(F)(F)F)cc1 ZINC000514009811 1024033686 /nfs/dbraw/zinc/03/36/86/1024033686.db2.gz NKHWFNKXUXQCJT-AWEZNQCLSA-N 1 2 344.421 3.947 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000514009811 1024033699 /nfs/dbraw/zinc/03/36/99/1024033699.db2.gz NKHWFNKXUXQCJT-AWEZNQCLSA-N 1 2 344.421 3.947 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000443850798 1024050130 /nfs/dbraw/zinc/05/01/30/1024050130.db2.gz GRBCZZJQHOREIX-GOSISDBHSA-N 1 2 333.863 3.741 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000443850798 1024050145 /nfs/dbraw/zinc/05/01/45/1024050145.db2.gz GRBCZZJQHOREIX-GOSISDBHSA-N 1 2 333.863 3.741 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)ccc1OC(C)C ZINC000434471994 1024059998 /nfs/dbraw/zinc/05/99/98/1024059998.db2.gz WWKJWARRNYNLKB-CQSZACIVSA-N 1 2 332.448 3.506 20 0 EHADLO CCc1cc2c(ncnc2N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000134064835 1024064999 /nfs/dbraw/zinc/06/49/99/1024064999.db2.gz UIUFXLCWLUBPPE-SWLSCSKDSA-N 1 2 327.457 3.538 20 0 EHADLO Cc1occc1C[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000637971483 1024074455 /nfs/dbraw/zinc/07/44/55/1024074455.db2.gz VVRJSWBCBWXPRU-UHFFFAOYSA-N 1 2 327.350 3.772 20 0 EHADLO Cc1occc1C[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000637971483 1024074472 /nfs/dbraw/zinc/07/44/72/1024074472.db2.gz VVRJSWBCBWXPRU-UHFFFAOYSA-N 1 2 327.350 3.772 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586295 1024078128 /nfs/dbraw/zinc/07/81/28/1024078128.db2.gz WBNGKVBCDWTZCO-IAGOWNOFSA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586295 1024078140 /nfs/dbraw/zinc/07/81/40/1024078140.db2.gz WBNGKVBCDWTZCO-IAGOWNOFSA-N 1 2 334.435 3.718 20 0 EHADLO CN(c1nc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cs1)C1CC1 ZINC000151285180 1024085015 /nfs/dbraw/zinc/08/50/15/1024085015.db2.gz WEFHMJKSGRSEHQ-QGZVFWFLSA-N 1 2 330.501 3.807 20 0 EHADLO CN(c1nc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cs1)C1CC1 ZINC000151285180 1024085033 /nfs/dbraw/zinc/08/50/33/1024085033.db2.gz WEFHMJKSGRSEHQ-QGZVFWFLSA-N 1 2 330.501 3.807 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)[nH+]1 ZINC000594111371 1033186504 /nfs/dbraw/zinc/18/65/04/1033186504.db2.gz LUPSTLZEZSLSJN-HNNXBMFYSA-N 1 2 349.475 3.742 20 0 EHADLO CC1(C)Cc2cc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)ccc2O1 ZINC000346030616 1024114300 /nfs/dbraw/zinc/11/43/00/1024114300.db2.gz LORGWOHOZJHNCC-GOSISDBHSA-N 1 2 336.435 3.613 20 0 EHADLO CC1(C)Cc2cc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)ccc2O1 ZINC000346030616 1024114308 /nfs/dbraw/zinc/11/43/08/1024114308.db2.gz LORGWOHOZJHNCC-GOSISDBHSA-N 1 2 336.435 3.613 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000514113347 1024146716 /nfs/dbraw/zinc/14/67/16/1024146716.db2.gz RXTYXCMEUNLFEC-DLBZAZTESA-N 1 2 340.467 3.783 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000514113347 1024146727 /nfs/dbraw/zinc/14/67/27/1024146727.db2.gz RXTYXCMEUNLFEC-DLBZAZTESA-N 1 2 340.467 3.783 20 0 EHADLO Cc1cn2cc(NC(=O)c3cscc3Br)ccc2[nH+]1 ZINC000351835304 1024150980 /nfs/dbraw/zinc/15/09/80/1024150980.db2.gz XPKWXENFCNAQGP-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614701605 1024151559 /nfs/dbraw/zinc/15/15/59/1024151559.db2.gz YLTFIYXCVNLRCO-LJQANCHMSA-N 1 2 337.467 3.605 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000514132691 1024159574 /nfs/dbraw/zinc/15/95/74/1024159574.db2.gz OGCXOPKNPMUNOH-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000514132691 1024159582 /nfs/dbraw/zinc/15/95/82/1024159582.db2.gz OGCXOPKNPMUNOH-OAHLLOKOSA-N 1 2 344.430 3.992 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)s1 ZINC000631082809 1024187479 /nfs/dbraw/zinc/18/74/79/1024187479.db2.gz FUYUVXQCNXABNZ-UHFFFAOYSA-N 1 2 326.849 3.666 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000329790980 1024198281 /nfs/dbraw/zinc/19/82/81/1024198281.db2.gz DEGRFUXNQFOHPB-KRWDZBQOSA-N 1 2 343.475 3.554 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000329790980 1024198285 /nfs/dbraw/zinc/19/82/85/1024198285.db2.gz DEGRFUXNQFOHPB-KRWDZBQOSA-N 1 2 343.475 3.554 20 0 EHADLO COc1coc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1=O ZINC000346033558 1024202898 /nfs/dbraw/zinc/20/28/98/1024202898.db2.gz QRYZAIRQHSFSLV-UHFFFAOYSA-N 1 2 347.361 3.606 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329816078 1024207360 /nfs/dbraw/zinc/20/73/60/1024207360.db2.gz FGXXZZPFPITSCU-YRGRVCCFSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329816078 1024207367 /nfs/dbraw/zinc/20/73/67/1024207367.db2.gz FGXXZZPFPITSCU-YRGRVCCFSA-N 1 2 333.457 3.749 20 0 EHADLO CC(C)[C@H](CC1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522312839 1024214512 /nfs/dbraw/zinc/21/45/12/1024214512.db2.gz VWWPTHGEMAJDGG-IBGZPJMESA-N 1 2 343.515 3.973 20 0 EHADLO CCOc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000342141246 1024224517 /nfs/dbraw/zinc/22/45/17/1024224517.db2.gz ZYYOXKWBDKJSKA-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000783543478 1024232740 /nfs/dbraw/zinc/23/27/40/1024232740.db2.gz RTHFHXFLFNAQKS-KGLIPLIRSA-N 1 2 339.222 3.927 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505468191 1024291768 /nfs/dbraw/zinc/29/17/68/1024291768.db2.gz JCVCJTSDTMABFQ-UZLBHIALSA-N 1 2 340.442 3.801 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443638016 1024296891 /nfs/dbraw/zinc/29/68/91/1024296891.db2.gz HOPUGTCIFMMVAQ-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443638016 1024296905 /nfs/dbraw/zinc/29/69/05/1024296905.db2.gz HOPUGTCIFMMVAQ-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517017 1024322036 /nfs/dbraw/zinc/32/20/36/1024322036.db2.gz RXQLJAZSLBEQJQ-HOTGVXAUSA-N 1 2 347.480 3.732 20 0 EHADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000113517017 1024322044 /nfs/dbraw/zinc/32/20/44/1024322044.db2.gz RXQLJAZSLBEQJQ-HOTGVXAUSA-N 1 2 347.480 3.732 20 0 EHADLO O=C(c1ccccc1Cl)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001271154947 1024323603 /nfs/dbraw/zinc/32/36/03/1024323603.db2.gz OKNNOLQTWSVNAH-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO O=C(c1ccccc1Cl)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001271154947 1024323617 /nfs/dbraw/zinc/32/36/17/1024323617.db2.gz OKNNOLQTWSVNAH-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443650054 1024332005 /nfs/dbraw/zinc/33/20/05/1024332005.db2.gz IKPIZXVJPCUKNQ-CYBMUJFWSA-N 1 2 349.814 3.763 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443650054 1024332019 /nfs/dbraw/zinc/33/20/19/1024332019.db2.gz IKPIZXVJPCUKNQ-CYBMUJFWSA-N 1 2 349.814 3.763 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(C2CCCCC2)cc1 ZINC000193455085 1024336591 /nfs/dbraw/zinc/33/65/91/1024336591.db2.gz BWDCWOFYZCRFEX-IBGZPJMESA-N 1 2 327.476 3.745 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)[nH]1 ZINC000277252471 1024343518 /nfs/dbraw/zinc/34/35/18/1024343518.db2.gz OBTVGOSUKMHCGD-DGCLKSJQSA-N 1 2 332.496 3.737 20 0 EHADLO COc1cccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c1OC ZINC000101597056 1024345688 /nfs/dbraw/zinc/34/56/88/1024345688.db2.gz NCIDGRFTEXJWKT-MRXNPFEDSA-N 1 2 333.428 3.800 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505491918 1024354155 /nfs/dbraw/zinc/35/41/55/1024354155.db2.gz UIAHOCSTQJYNPZ-SFHVURJKSA-N 1 2 346.833 3.585 20 0 EHADLO Cc1cc(Br)cnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353448 1024369710 /nfs/dbraw/zinc/36/97/10/1024369710.db2.gz MYATVUWLGYHJHV-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505498977 1024381689 /nfs/dbraw/zinc/38/16/89/1024381689.db2.gz PNHFLNXQOTUHNI-BUSNORKWSA-N 1 2 338.426 3.792 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1CCF ZINC000281570733 1024409453 /nfs/dbraw/zinc/40/94/53/1024409453.db2.gz DWFLHCSFYAGWKC-INIZCTEOSA-N 1 2 334.439 3.523 20 0 EHADLO C[C@H]1c2nncn2CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000280904416 1024417850 /nfs/dbraw/zinc/41/78/50/1024417850.db2.gz PVSIOJPXPWDBCV-NSHDSACASA-N 1 2 325.243 3.594 20 0 EHADLO C[C@H]1c2nncn2CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000280904416 1024417857 /nfs/dbraw/zinc/41/78/57/1024417857.db2.gz PVSIOJPXPWDBCV-NSHDSACASA-N 1 2 325.243 3.594 20 0 EHADLO Cc1ccc2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)csc2c1 ZINC000280907298 1024422095 /nfs/dbraw/zinc/42/20/95/1024422095.db2.gz GFTCJEPMOOGAFF-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO O=C(CCc1ccccc1Cl)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505518146 1024428275 /nfs/dbraw/zinc/42/82/75/1024428275.db2.gz ZTBFLMGILGKKDU-GOSISDBHSA-N 1 2 346.833 3.585 20 0 EHADLO CC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1nccs1 ZINC000425193527 1024431046 /nfs/dbraw/zinc/43/10/46/1024431046.db2.gz MKCNRIUPUNHXAY-LSDHHAIUSA-N 1 2 340.452 3.656 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000505541968 1024446910 /nfs/dbraw/zinc/44/69/10/1024446910.db2.gz DKHHCSPVDWUAEB-HXUWFJFHSA-N 1 2 340.442 3.548 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc2cccnc12 ZINC000346154151 1024456258 /nfs/dbraw/zinc/45/62/58/1024456258.db2.gz QOVCSQCCFHDDAT-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc2cccnc12 ZINC000346154151 1024456271 /nfs/dbraw/zinc/45/62/71/1024456271.db2.gz QOVCSQCCFHDDAT-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504903 1024459211 /nfs/dbraw/zinc/45/92/11/1024459211.db2.gz PLHUJFIMHZBFEN-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504903 1024459218 /nfs/dbraw/zinc/45/92/18/1024459218.db2.gz PLHUJFIMHZBFEN-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO CCC[N@@H+](Cc1ccccc1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000173292059 1033212600 /nfs/dbraw/zinc/21/26/00/1033212600.db2.gz JWTBLSFNEOZXAG-UHFFFAOYSA-N 1 2 341.480 3.945 20 0 EHADLO CCC[N@H+](Cc1ccccc1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000173292059 1033212620 /nfs/dbraw/zinc/21/26/20/1033212620.db2.gz JWTBLSFNEOZXAG-UHFFFAOYSA-N 1 2 341.480 3.945 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc(C)[nH+]1 ZINC000895412442 1024484111 /nfs/dbraw/zinc/48/41/11/1024484111.db2.gz VVHGWVFWQGESEM-KOMQPUFPSA-N 1 2 345.393 3.722 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC[S@]1=O ZINC000346195264 1024516666 /nfs/dbraw/zinc/51/66/66/1024516666.db2.gz WJBOSPXJVISQTG-IIBYNOLFSA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[S@]1=O ZINC000346195264 1024516670 /nfs/dbraw/zinc/51/66/70/1024516670.db2.gz WJBOSPXJVISQTG-IIBYNOLFSA-N 1 2 325.905 3.950 20 0 EHADLO CCn1nccc1CN(C)c1[nH+]ccc2cc(Br)ccc21 ZINC000425259557 1024536294 /nfs/dbraw/zinc/53/62/94/1024536294.db2.gz MIXVCEVDJFDNMD-UHFFFAOYSA-N 1 2 345.244 3.850 20 0 EHADLO CCCC1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000137285631 1024558047 /nfs/dbraw/zinc/55/80/47/1024558047.db2.gz QDBBLZSEOZHMIH-LXPRWKDFSA-N 1 2 346.519 3.743 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1sccc1OC ZINC000435034961 1024558403 /nfs/dbraw/zinc/55/84/03/1024558403.db2.gz ONLDREUOOHIOOT-GJZGRUSLSA-N 1 2 331.437 3.635 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1sccc1OC ZINC000435034961 1024558411 /nfs/dbraw/zinc/55/84/11/1024558411.db2.gz ONLDREUOOHIOOT-GJZGRUSLSA-N 1 2 331.437 3.635 20 0 EHADLO O=C1CCCN1[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000413564132 1033220555 /nfs/dbraw/zinc/22/05/55/1033220555.db2.gz DGKDMNTWNQYGLE-CQSZACIVSA-N 1 2 343.858 3.870 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000895513570 1024578029 /nfs/dbraw/zinc/57/80/29/1024578029.db2.gz HRUYQSRSTNEGPF-KRWDZBQOSA-N 1 2 347.480 3.645 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459754 1024581333 /nfs/dbraw/zinc/58/13/33/1024581333.db2.gz ZFVSRZLDUUFREA-GJZGRUSLSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459754 1024581341 /nfs/dbraw/zinc/58/13/41/1024581341.db2.gz ZFVSRZLDUUFREA-GJZGRUSLSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c[nH+]1 ZINC000895544834 1024602221 /nfs/dbraw/zinc/60/22/21/1024602221.db2.gz OERMTXQULANLIR-UHFFFAOYSA-N 1 2 343.761 3.820 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCCC[C@H]1c1ccncc1 ZINC000281066541 1024612738 /nfs/dbraw/zinc/61/27/38/1024612738.db2.gz ZUEXOQONGJMRBK-KRWDZBQOSA-N 1 2 335.411 3.879 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000514628950 1024619447 /nfs/dbraw/zinc/61/94/47/1024619447.db2.gz WYYBONDTVPFVFK-NWANDNLSSA-N 1 2 338.377 3.852 20 0 EHADLO CC(C)[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(F)(F)F ZINC000425279000 1024631872 /nfs/dbraw/zinc/63/18/72/1024631872.db2.gz HTCSIQYCNPVEQB-ZFWWWQNUSA-N 1 2 339.361 3.635 20 0 EHADLO CCCc1ccc([C@@H]([NH2+]Cc2nc(CCOC)no2)C(C)C)cc1 ZINC000505615187 1024651671 /nfs/dbraw/zinc/65/16/71/1024651671.db2.gz WAPQYKXKJOHPCX-IBGZPJMESA-N 1 2 331.460 3.698 20 0 EHADLO Cc1oc(C2CC2)nc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346388150 1024677041 /nfs/dbraw/zinc/67/70/41/1024677041.db2.gz NZNGXKUGFLMRNC-UHFFFAOYSA-N 1 2 333.351 3.763 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000346360739 1024680099 /nfs/dbraw/zinc/68/00/99/1024680099.db2.gz JLKAWARCYPLRKU-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000346360739 1024680101 /nfs/dbraw/zinc/68/01/01/1024680101.db2.gz JLKAWARCYPLRKU-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO COCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000892098788 1024681528 /nfs/dbraw/zinc/68/15/28/1024681528.db2.gz PMZFRLSPTKWJEP-VQIMIIECSA-N 1 2 345.439 3.575 20 0 EHADLO COCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000892098788 1024681539 /nfs/dbraw/zinc/68/15/39/1024681539.db2.gz PMZFRLSPTKWJEP-VQIMIIECSA-N 1 2 345.439 3.575 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c[nH+]1 ZINC000895639057 1024683213 /nfs/dbraw/zinc/68/32/13/1024683213.db2.gz YHNHWDZRYUEPAW-HNNXBMFYSA-N 1 2 329.444 3.591 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC(C)(C)C3CC3)cn2c1 ZINC000514723746 1024698202 /nfs/dbraw/zinc/69/82/02/1024698202.db2.gz XSRVYAFNAMANEO-UHFFFAOYSA-N 1 2 345.512 3.818 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c[nH+]1 ZINC000897861207 1033230058 /nfs/dbraw/zinc/23/00/58/1033230058.db2.gz FEGLFVRXLZASID-HDJSIYSDSA-N 1 2 331.847 3.642 20 0 EHADLO CC1(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000342286619 1024717018 /nfs/dbraw/zinc/71/70/18/1024717018.db2.gz HXCZEQNRIAWXJE-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO C[NH+](C)[C@@H](CN[C@H](c1ccc(F)cc1)c1ccccn1)c1ccco1 ZINC000346437642 1024732625 /nfs/dbraw/zinc/73/26/25/1024732625.db2.gz GWEQPPQQSZENPI-AZUAARDMSA-N 1 2 339.414 3.796 20 0 EHADLO CCc1nc(N2CCC[C@H]2c2cncc(Br)c2)cc(C)[nH+]1 ZINC000895710384 1024747827 /nfs/dbraw/zinc/74/78/27/1024747827.db2.gz UPGUXMYIZZCXHM-AWEZNQCLSA-N 1 2 347.260 3.846 20 0 EHADLO Cn1ccnc1C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000281206535 1024748769 /nfs/dbraw/zinc/74/87/69/1024748769.db2.gz JJRXACIAPVDVPJ-UHFFFAOYSA-N 1 2 341.352 3.900 20 0 EHADLO CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000346468163 1024755193 /nfs/dbraw/zinc/75/51/93/1024755193.db2.gz LMINVAPLPAJTJF-CQSZACIVSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)n1cncc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000425321694 1024758166 /nfs/dbraw/zinc/75/81/66/1024758166.db2.gz FSDIJTACIAANKP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CC(C)n1cncc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000425321694 1024758183 /nfs/dbraw/zinc/75/81/83/1024758183.db2.gz FSDIJTACIAANKP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CCC[N@H+](Cc1cncn1C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000425329951 1024768436 /nfs/dbraw/zinc/76/84/36/1024768436.db2.gz VFEZKZJENXZJAX-INIZCTEOSA-N 1 2 328.460 3.703 20 0 EHADLO CCC[N@@H+](Cc1cncn1C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000425329951 1024768442 /nfs/dbraw/zinc/76/84/42/1024768442.db2.gz VFEZKZJENXZJAX-INIZCTEOSA-N 1 2 328.460 3.703 20 0 EHADLO COc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474336428 1024776650 /nfs/dbraw/zinc/77/66/50/1024776650.db2.gz ZOVIRYDMVVTPEF-IBGZPJMESA-N 1 2 342.414 3.828 20 0 EHADLO COc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474336428 1024776664 /nfs/dbraw/zinc/77/66/64/1024776664.db2.gz ZOVIRYDMVVTPEF-IBGZPJMESA-N 1 2 342.414 3.828 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3sccc3[C@H]1C)C2 ZINC000474376976 1024851455 /nfs/dbraw/zinc/85/14/55/1024851455.db2.gz NGXGCMAMORDIRG-OLZOCXBDSA-N 1 2 343.496 3.845 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3sccc3[C@H]1C)CC2 ZINC000474376976 1024851471 /nfs/dbraw/zinc/85/14/71/1024851471.db2.gz NGXGCMAMORDIRG-OLZOCXBDSA-N 1 2 343.496 3.845 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc(Cl)c1F ZINC000104980353 1024866834 /nfs/dbraw/zinc/86/68/34/1024866834.db2.gz RDBZUAYBQJNXKY-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1OCc1ccccc1 ZINC000508057635 1024875793 /nfs/dbraw/zinc/87/57/93/1024875793.db2.gz NGCPDEASQPJMCA-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1OCc1ccccc1 ZINC000508057635 1024875801 /nfs/dbraw/zinc/87/58/01/1024875801.db2.gz NGCPDEASQPJMCA-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO FC1(F)CC[C@H](c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310363 1024875827 /nfs/dbraw/zinc/87/58/27/1024875827.db2.gz HYHCDZMQOQSGGL-GJZGRUSLSA-N 1 2 349.381 3.546 20 0 EHADLO FC1(F)CC[C@H](c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310363 1024875838 /nfs/dbraw/zinc/87/58/38/1024875838.db2.gz HYHCDZMQOQSGGL-GJZGRUSLSA-N 1 2 349.381 3.546 20 0 EHADLO c1cn2c(CNc3ccc(N4CCCC4)c[nH+]3)c(C3CC3)nc2s1 ZINC000425372890 1024900895 /nfs/dbraw/zinc/90/08/95/1024900895.db2.gz UJPBKQHGIOWDGS-UHFFFAOYSA-N 1 2 339.468 3.881 20 0 EHADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cscc1C(F)F ZINC000895848422 1024908803 /nfs/dbraw/zinc/90/88/03/1024908803.db2.gz NSDHRFQYQCAYBU-UHFFFAOYSA-N 1 2 342.436 3.535 20 0 EHADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cscc1C(F)F ZINC000895848422 1024908817 /nfs/dbraw/zinc/90/88/17/1024908817.db2.gz NSDHRFQYQCAYBU-UHFFFAOYSA-N 1 2 342.436 3.535 20 0 EHADLO CCCOc1ccc([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1OC ZINC000514942424 1024918649 /nfs/dbraw/zinc/91/86/49/1024918649.db2.gz ZDBHSTARSOIKAW-HUUCEWRRSA-N 1 2 345.443 3.509 20 0 EHADLO CCOc1ccc(CN(C)c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000346621052 1024933982 /nfs/dbraw/zinc/93/39/82/1024933982.db2.gz OKGIDOZAUBHUIR-UHFFFAOYSA-N 1 2 326.444 3.502 20 0 EHADLO CCOc1ccc(CN(C)c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000346621052 1024933994 /nfs/dbraw/zinc/93/39/94/1024933994.db2.gz OKGIDOZAUBHUIR-UHFFFAOYSA-N 1 2 326.444 3.502 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)c3cccc(F)c3F)ccc2[nH+]1 ZINC000346621231 1024934191 /nfs/dbraw/zinc/93/41/91/1024934191.db2.gz BQULQYRCKYGWOS-LLVKDONJSA-N 1 2 330.338 3.804 20 0 EHADLO CCCCCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000096954226 1024936861 /nfs/dbraw/zinc/93/68/61/1024936861.db2.gz WSVQJULDVKLIGK-HNNXBMFYSA-N 1 2 331.485 3.740 20 0 EHADLO CCCCCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000096954226 1024936864 /nfs/dbraw/zinc/93/68/64/1024936864.db2.gz WSVQJULDVKLIGK-HNNXBMFYSA-N 1 2 331.485 3.740 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000346606949 1024946766 /nfs/dbraw/zinc/94/67/66/1024946766.db2.gz KAYSLOIHZYLMQF-BXWFABGCSA-N 1 2 337.467 3.631 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2cccc(F)c2F)CC1)n1cc[nH+]c1 ZINC000563218254 1024961632 /nfs/dbraw/zinc/96/16/32/1024961632.db2.gz RWULMVIWKANRHZ-CYBMUJFWSA-N 1 2 333.382 3.519 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1ccccc1 ZINC000068406688 1024963089 /nfs/dbraw/zinc/96/30/89/1024963089.db2.gz ASFHVYBDAPWUMU-HXUWFJFHSA-N 1 2 335.451 3.549 20 0 EHADLO Cc1cc(C(F)(F)F)cc(N2CCn3c(C(C)C)nnc3[C@@H]2C)[nH+]1 ZINC000895908974 1024969275 /nfs/dbraw/zinc/96/92/75/1024969275.db2.gz LQSKVCQTZWPLBK-NSHDSACASA-N 1 2 339.365 3.705 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC[C@H](C)C[C@@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516822 1024981153 /nfs/dbraw/zinc/98/11/53/1024981153.db2.gz JGKMYPGBQYHACD-SWLSCSKDSA-N 1 2 340.427 3.841 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC[C@H](C)C[C@@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516822 1024981160 /nfs/dbraw/zinc/98/11/60/1024981160.db2.gz JGKMYPGBQYHACD-SWLSCSKDSA-N 1 2 340.427 3.841 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000897942064 1033253142 /nfs/dbraw/zinc/25/31/42/1033253142.db2.gz KPNCDWCLDYDNAE-CQSZACIVSA-N 1 2 332.444 3.676 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCC(C)(C)C3)cn2c1 ZINC000474470264 1025013386 /nfs/dbraw/zinc/01/33/86/1025013386.db2.gz NOVDFYWVJZOMNC-HNNXBMFYSA-N 1 2 345.512 3.961 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1 ZINC000346688703 1025016079 /nfs/dbraw/zinc/01/60/79/1025016079.db2.gz NWAAHENZRGSLIF-MRXNPFEDSA-N 1 2 347.418 3.604 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C)CC)[C@@H](C)C1 ZINC000508333971 1025037822 /nfs/dbraw/zinc/03/78/22/1025037822.db2.gz OUNZLPPMCFJRBU-IRXDYDNUSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C)CC)[C@@H](C)C1 ZINC000508333971 1025037827 /nfs/dbraw/zinc/03/78/27/1025037827.db2.gz OUNZLPPMCFJRBU-IRXDYDNUSA-N 1 2 332.488 3.554 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cncc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000639366729 1025042665 /nfs/dbraw/zinc/04/26/65/1025042665.db2.gz MTHRLRCIULRQCI-DLBZAZTESA-N 1 2 347.256 3.542 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cncc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000639366729 1025042672 /nfs/dbraw/zinc/04/26/72/1025042672.db2.gz MTHRLRCIULRQCI-DLBZAZTESA-N 1 2 347.256 3.542 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000582036029 1025067983 /nfs/dbraw/zinc/06/79/83/1025067983.db2.gz KJNCONWLSAREIE-IBGZPJMESA-N 1 2 340.471 3.931 20 0 EHADLO CCCOc1cc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000277431792 1025077331 /nfs/dbraw/zinc/07/73/31/1025077331.db2.gz NODAQXSCYWAKDN-UONOGXRCSA-N 1 2 346.475 3.966 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)on1 ZINC000520899312 1025120285 /nfs/dbraw/zinc/12/02/85/1025120285.db2.gz VICYEFVERFSZMX-UHFFFAOYSA-N 1 2 328.243 3.900 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccsc1 ZINC000342379839 1025125846 /nfs/dbraw/zinc/12/58/46/1025125846.db2.gz SGCNBGPNYOQNKV-CABCVRRESA-N 1 2 346.471 3.896 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)c2ccccc21 ZINC000582066214 1025147530 /nfs/dbraw/zinc/14/75/30/1025147530.db2.gz UEQONQHHVFAJFL-BXWFABGCSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21)n1cc[nH+]c1 ZINC000515303347 1025163025 /nfs/dbraw/zinc/16/30/25/1025163025.db2.gz APLZNMRXYDXLOV-IUODEOHRSA-N 1 2 333.819 3.518 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OC ZINC000277458890 1025179434 /nfs/dbraw/zinc/17/94/34/1025179434.db2.gz QEFKYTLSOLCRNW-UONOGXRCSA-N 1 2 346.475 3.966 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OC ZINC000277458882 1025179901 /nfs/dbraw/zinc/17/99/01/1025179901.db2.gz QEFKYTLSOLCRNW-KBPBESRZSA-N 1 2 346.475 3.966 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(O)c1 ZINC000444011147 1025181934 /nfs/dbraw/zinc/18/19/34/1025181934.db2.gz RJFKRYFRARZPBO-NSHDSACASA-N 1 2 346.793 3.616 20 0 EHADLO CC(C)n1nccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000515348713 1025184424 /nfs/dbraw/zinc/18/44/24/1025184424.db2.gz IKTCHOLOXCIBIZ-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000665437857 1025189393 /nfs/dbraw/zinc/18/93/93/1025189393.db2.gz NCMLNWOIKIQGRB-AQNXPRMDSA-N 1 2 345.446 3.624 20 0 EHADLO O=C(c1csc(Cl)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000342399820 1025194242 /nfs/dbraw/zinc/19/42/42/1025194242.db2.gz LACCAZULAJPXNP-UHFFFAOYSA-N 1 2 337.876 3.931 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000152103543 1025195495 /nfs/dbraw/zinc/19/54/95/1025195495.db2.gz HXYATSJRHYNFAE-CVEARBPZSA-N 1 2 327.428 3.727 20 0 EHADLO CC1(C)C[N@H+](CC2=Cc3ccccc3OC2)C[C@](C)(C(F)(F)F)O1 ZINC000582078338 1025196728 /nfs/dbraw/zinc/19/67/28/1025196728.db2.gz FQGDKVOHFVENDZ-QGZVFWFLSA-N 1 2 341.373 3.894 20 0 EHADLO CC1(C)C[N@@H+](CC2=Cc3ccccc3OC2)C[C@](C)(C(F)(F)F)O1 ZINC000582078338 1025196733 /nfs/dbraw/zinc/19/67/33/1025196733.db2.gz FQGDKVOHFVENDZ-QGZVFWFLSA-N 1 2 341.373 3.894 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000191883783 1025202914 /nfs/dbraw/zinc/20/29/14/1025202914.db2.gz NIFCDQNSNFAEGY-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000442209622 1025204374 /nfs/dbraw/zinc/20/43/74/1025204374.db2.gz PHPDUHHCDJFWLK-SECBINFHSA-N 1 2 340.761 3.753 20 0 EHADLO C[C@@]1(F)CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000515377613 1025206395 /nfs/dbraw/zinc/20/63/95/1025206395.db2.gz XRLSHDPQRABHCB-LJQANCHMSA-N 1 2 342.418 3.852 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000444045471 1025207530 /nfs/dbraw/zinc/20/75/30/1025207530.db2.gz LGHKPKMMZWUBNE-RDBSUJKOSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000444045471 1025207538 /nfs/dbraw/zinc/20/75/38/1025207538.db2.gz LGHKPKMMZWUBNE-RDBSUJKOSA-N 1 2 336.505 3.685 20 0 EHADLO FC(F)(F)c1cnc(CN2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000896195817 1025228482 /nfs/dbraw/zinc/22/84/82/1025228482.db2.gz SXRBASNSYPFYND-UHFFFAOYSA-N 1 2 342.390 3.633 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346838932 1025228797 /nfs/dbraw/zinc/22/87/97/1025228797.db2.gz FSQXHLUIRKVKIK-MRXNPFEDSA-N 1 2 331.419 3.518 20 0 EHADLO CCC(C)(C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442235913 1025229746 /nfs/dbraw/zinc/22/97/46/1025229746.db2.gz LEKAZMGYFBWPDS-KRWDZBQOSA-N 1 2 328.460 3.729 20 0 EHADLO Oc1cccc(/C=C/c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000435951902 1025236168 /nfs/dbraw/zinc/23/61/68/1025236168.db2.gz JCWBZNMSLQIVPJ-BQYQJAHWSA-N 1 2 344.374 3.857 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC000521180837 1025256642 /nfs/dbraw/zinc/25/66/42/1025256642.db2.gz IESVGYUSZXJZCW-OAHLLOKOSA-N 1 2 339.222 3.940 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CC2CCC1CC2 ZINC000563247541 1025259280 /nfs/dbraw/zinc/25/92/80/1025259280.db2.gz GZJJCQPOROPJKZ-GIOUXUJVSA-N 1 2 330.476 3.514 20 0 EHADLO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000281618358 1025283609 /nfs/dbraw/zinc/28/36/09/1025283609.db2.gz NLKBXBDUDFSLMZ-HKUYNNGSSA-N 1 2 339.483 3.957 20 0 EHADLO CCC(CC)N(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000515502374 1025293010 /nfs/dbraw/zinc/29/30/10/1025293010.db2.gz TVFNQYSXXUCXQI-UHFFFAOYSA-N 1 2 340.471 3.794 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000521269387 1025304686 /nfs/dbraw/zinc/30/46/86/1025304686.db2.gz ZRPPJFOCHUIIBM-CYBMUJFWSA-N 1 2 347.409 3.838 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000521269387 1025304694 /nfs/dbraw/zinc/30/46/94/1025304694.db2.gz ZRPPJFOCHUIIBM-CYBMUJFWSA-N 1 2 347.409 3.838 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2cccc(F)c2F)c1 ZINC000346914597 1025310656 /nfs/dbraw/zinc/31/06/56/1025310656.db2.gz YZTCNTXNGWJEIF-ZDUSSCGKSA-N 1 2 341.361 3.950 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCSC[C@H]2C)c(Cl)c1 ZINC000934299289 1025331522 /nfs/dbraw/zinc/33/15/22/1025331522.db2.gz IKXAEEOYOZNSKY-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCSC[C@H]2C)c(Cl)c1 ZINC000934299289 1025331537 /nfs/dbraw/zinc/33/15/37/1025331537.db2.gz IKXAEEOYOZNSKY-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO C[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1)[NH+]1CCSCC1 ZINC000442495646 1025336108 /nfs/dbraw/zinc/33/61/08/1025336108.db2.gz OUNBMJXZEOFFJJ-KRWDZBQOSA-N 1 2 340.492 3.657 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)no1 ZINC000281655608 1025337917 /nfs/dbraw/zinc/33/79/17/1025337917.db2.gz PXHACLSXRJTGMG-KRWDZBQOSA-N 1 2 333.407 3.765 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000607735328 1033275469 /nfs/dbraw/zinc/27/54/69/1033275469.db2.gz HEPXOVHOKZZBAV-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000607735328 1033275473 /nfs/dbraw/zinc/27/54/73/1033275473.db2.gz HEPXOVHOKZZBAV-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccccc2Oc2ccccc2)n1 ZINC000346947698 1025342895 /nfs/dbraw/zinc/34/28/95/1025342895.db2.gz UVRVUALWEKGGDY-UHFFFAOYSA-N 1 2 332.363 3.853 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ncc(Br)cn1 ZINC000353894679 1025368083 /nfs/dbraw/zinc/36/80/83/1025368083.db2.gz DZNDANAITZEMFV-LLVKDONJSA-N 1 2 343.228 3.638 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+](Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425465053 1025378940 /nfs/dbraw/zinc/37/89/40/1025378940.db2.gz YULBRRKWUGFEDZ-LLVKDONJSA-N 1 2 325.334 3.916 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+](Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425465053 1025378949 /nfs/dbraw/zinc/37/89/49/1025378949.db2.gz YULBRRKWUGFEDZ-LLVKDONJSA-N 1 2 325.334 3.916 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000347002690 1025383561 /nfs/dbraw/zinc/38/35/61/1025383561.db2.gz JHDWJMOAAUANEW-OALUTQOASA-N 1 2 325.456 3.764 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1Cl ZINC000342427143 1025383629 /nfs/dbraw/zinc/38/36/29/1025383629.db2.gz UOOBBEWCVZIGRZ-UHFFFAOYSA-N 1 2 343.736 3.596 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccco2)CC[C@H]1C(F)(F)F ZINC000896372642 1025387777 /nfs/dbraw/zinc/38/77/77/1025387777.db2.gz YNDDKIZXESUMNB-CHWSQXEVSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccco2)CC[C@H]1C(F)(F)F ZINC000896372642 1025387789 /nfs/dbraw/zinc/38/77/89/1025387789.db2.gz YNDDKIZXESUMNB-CHWSQXEVSA-N 1 2 348.365 3.557 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC34CCC4)n2)C1 ZINC000436099080 1025388986 /nfs/dbraw/zinc/38/89/86/1025388986.db2.gz GKTBHYCNXRASAR-AWEZNQCLSA-N 1 2 348.516 3.925 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC34CCC4)n2)C1 ZINC000436099080 1025389002 /nfs/dbraw/zinc/38/90/02/1025389002.db2.gz GKTBHYCNXRASAR-AWEZNQCLSA-N 1 2 348.516 3.925 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770503 1025406854 /nfs/dbraw/zinc/40/68/54/1025406854.db2.gz CDUKUPMBEBDXKV-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770503 1025406858 /nfs/dbraw/zinc/40/68/58/1025406858.db2.gz CDUKUPMBEBDXKV-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO CCc1nc(CCNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)sc1C ZINC000347013764 1025409953 /nfs/dbraw/zinc/40/99/53/1025409953.db2.gz TVCPOQPIPNHATL-CYBMUJFWSA-N 1 2 345.516 3.695 20 0 EHADLO CCc1nc(CCNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)sc1C ZINC000347013764 1025409962 /nfs/dbraw/zinc/40/99/62/1025409962.db2.gz TVCPOQPIPNHATL-CYBMUJFWSA-N 1 2 345.516 3.695 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ncc(Br)cn1 ZINC000353899176 1025418624 /nfs/dbraw/zinc/41/86/24/1025418624.db2.gz LLSBMLYUQJHVIH-NSHDSACASA-N 1 2 332.245 3.579 20 0 EHADLO OC[C@]1([NH2+]Cc2cccc(Cl)c2Cl)CCOc2ccccc21 ZINC000281743190 1025420120 /nfs/dbraw/zinc/42/01/20/1025420120.db2.gz QOHZQUBCZFFQJE-QGZVFWFLSA-N 1 2 338.234 3.753 20 0 EHADLO c1c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)nnn1C1CCC1 ZINC000657354730 1025428095 /nfs/dbraw/zinc/42/80/95/1025428095.db2.gz YSXADFUZIILCSK-NRFANRHFSA-N 1 2 348.450 3.913 20 0 EHADLO Cc1cc(NCc2ccncc2OCC(F)(F)F)nc(C2CC2)[nH+]1 ZINC000281761184 1025449198 /nfs/dbraw/zinc/44/91/98/1025449198.db2.gz FPVWITGJNDJYRZ-UHFFFAOYSA-N 1 2 338.333 3.611 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c(C)c[nH+]1 ZINC000684778287 1025452361 /nfs/dbraw/zinc/45/23/61/1025452361.db2.gz VEKHLSDREYXPFP-AZUAARDMSA-N 1 2 331.419 3.951 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@H]2CCCc3ccccc32)c2cn[nH]n2)cc1 ZINC000521551165 1025457207 /nfs/dbraw/zinc/45/72/07/1025457207.db2.gz GPFYHZNJUYCNOR-UZLBHIALSA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@H]2CCCc3ccccc32)c2c[nH]nn2)cc1 ZINC000521551165 1025457218 /nfs/dbraw/zinc/45/72/18/1025457218.db2.gz GPFYHZNJUYCNOR-UZLBHIALSA-N 1 2 336.414 3.743 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cc(F)c(Cl)cc1Cl ZINC000014217206 1025457650 /nfs/dbraw/zinc/45/76/50/1025457650.db2.gz BDHPCCHCUGPOIO-ZETCQYMHSA-N 1 2 340.189 3.982 20 0 EHADLO COCCOc1cccc(CNc2cc[nH+]c3c(OC)cccc23)c1 ZINC000436196876 1025469475 /nfs/dbraw/zinc/46/94/75/1025469475.db2.gz WLOLZXOEUOMJPV-UHFFFAOYSA-N 1 2 338.407 3.881 20 0 EHADLO Cc1cnc([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000582158044 1025472700 /nfs/dbraw/zinc/47/27/00/1025472700.db2.gz DUPMZSAVKFYHMX-HNNXBMFYSA-N 1 2 331.423 3.873 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(F)cn2)no1)c1cccc(Cl)c1 ZINC000347065868 1025478763 /nfs/dbraw/zinc/47/87/63/1025478763.db2.gz HZTQPZDREKOSPX-CQSZACIVSA-N 1 2 332.766 3.575 20 0 EHADLO CCCCC1(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000896479195 1025485670 /nfs/dbraw/zinc/48/56/70/1025485670.db2.gz MJLGHHKEAIOGTB-QGZVFWFLSA-N 1 2 326.444 3.646 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2(C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000548699603 1025489863 /nfs/dbraw/zinc/48/98/63/1025489863.db2.gz CMGWEZHRHSORCR-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO O=C1CCN1c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000442800873 1025495118 /nfs/dbraw/zinc/49/51/18/1025495118.db2.gz NPMGYGLTGPKEKK-JOCHJYFZSA-N 1 2 343.430 3.698 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCc4sccc43)[nH+]c12 ZINC000684785371 1025507780 /nfs/dbraw/zinc/50/77/80/1025507780.db2.gz ICJXUBUIKWGCOK-UHFFFAOYSA-N 1 2 325.437 3.616 20 0 EHADLO c1cn([C@@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000425503640 1025518166 /nfs/dbraw/zinc/51/81/66/1025518166.db2.gz SWQFFZVEZBSWFU-MRXNPFEDSA-N 1 2 331.489 3.619 20 0 EHADLO c1cn([C@@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000425503640 1025518182 /nfs/dbraw/zinc/51/81/82/1025518182.db2.gz SWQFFZVEZBSWFU-MRXNPFEDSA-N 1 2 331.489 3.619 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665453794 1025547104 /nfs/dbraw/zinc/54/71/04/1025547104.db2.gz UCMNWKXQUKNREO-DLBZAZTESA-N 1 2 330.476 3.733 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)N1CCCc2ccccc21 ZINC000515736124 1025549377 /nfs/dbraw/zinc/54/93/77/1025549377.db2.gz QZCGJZWDFSGTQQ-ZIAGYGMSSA-N 1 2 344.405 3.983 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442882435 1025562350 /nfs/dbraw/zinc/56/23/50/1025562350.db2.gz DTDRJNJBEQMENZ-LLVKDONJSA-N 1 2 330.379 3.703 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442882435 1025562357 /nfs/dbraw/zinc/56/23/57/1025562357.db2.gz DTDRJNJBEQMENZ-LLVKDONJSA-N 1 2 330.379 3.703 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281841552 1025565080 /nfs/dbraw/zinc/56/50/80/1025565080.db2.gz ANYPWHXDGBXAAC-HNNXBMFYSA-N 1 2 341.430 3.687 20 0 EHADLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884917 1025565592 /nfs/dbraw/zinc/56/55/92/1025565592.db2.gz ZTYZAHDCVMWCPY-QRWLVFNGSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CCO1 ZINC000442884917 1025565606 /nfs/dbraw/zinc/56/56/06/1025565606.db2.gz ZTYZAHDCVMWCPY-QRWLVFNGSA-N 1 2 326.440 3.668 20 0 EHADLO O=C(Nc1ccccc1F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000582206892 1025576105 /nfs/dbraw/zinc/57/61/05/1025576105.db2.gz AXPQDOUHIPBXHM-HDJSIYSDSA-N 1 2 328.391 3.766 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000007017886 1033292159 /nfs/dbraw/zinc/29/21/59/1033292159.db2.gz ZMRYORJWEPDASY-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000007017886 1033292166 /nfs/dbraw/zinc/29/21/66/1033292166.db2.gz ZMRYORJWEPDASY-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000281837047 1025584378 /nfs/dbraw/zinc/58/43/78/1025584378.db2.gz HRSUZHRBCPJNMB-IYOUNJFTSA-N 1 2 339.439 3.638 20 0 EHADLO Cc1c(Cl)c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)nn1C ZINC000648054090 1025617830 /nfs/dbraw/zinc/61/78/30/1025617830.db2.gz QWTYJSHEVAIXJQ-GOSISDBHSA-N 1 2 347.890 3.545 20 0 EHADLO Cc1c(Cl)c(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CCC2)nn1C ZINC000648054090 1025617839 /nfs/dbraw/zinc/61/78/39/1025617839.db2.gz QWTYJSHEVAIXJQ-GOSISDBHSA-N 1 2 347.890 3.545 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000442959458 1025621062 /nfs/dbraw/zinc/62/10/62/1025621062.db2.gz ABCOTTDMGHMIGA-LPHOPBHVSA-N 1 2 337.467 3.666 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000469831693 1025628333 /nfs/dbraw/zinc/62/83/33/1025628333.db2.gz PTPKKIYHDZANTD-JDTTZNEISA-N 1 2 327.255 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000469831693 1025628340 /nfs/dbraw/zinc/62/83/40/1025628340.db2.gz PTPKKIYHDZANTD-JDTTZNEISA-N 1 2 327.255 3.640 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccc3[nH]ccc3c2)c1 ZINC000442999291 1025639829 /nfs/dbraw/zinc/63/98/29/1025639829.db2.gz LADLGXBQBLAIQM-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1scnc1C(C)C ZINC000451179284 1025643581 /nfs/dbraw/zinc/64/35/81/1025643581.db2.gz CXNUNFHPUHIOPT-UHFFFAOYSA-N 1 2 334.489 3.578 20 0 EHADLO O=C(NC[C@H]1CCCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000303721012 1025651424 /nfs/dbraw/zinc/65/14/24/1025651424.db2.gz WFXZBVAUZUSSKF-GOSISDBHSA-N 1 2 331.419 3.722 20 0 EHADLO COc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C2CC2)cc1Cl ZINC000655385181 1025651990 /nfs/dbraw/zinc/65/19/90/1025651990.db2.gz LTNVHVVSYSZGQO-SNVBAGLBSA-N 1 2 333.819 3.766 20 0 EHADLO COc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C2CC2)cc1Cl ZINC000655385181 1025651997 /nfs/dbraw/zinc/65/19/97/1025651997.db2.gz LTNVHVVSYSZGQO-SNVBAGLBSA-N 1 2 333.819 3.766 20 0 EHADLO C[C@H]1C[C@H](CCNC(=O)N(C)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000444114003 1025656153 /nfs/dbraw/zinc/65/61/53/1025656153.db2.gz UUKFBFAHCWCDHE-IRXDYDNUSA-N 1 2 334.508 3.767 20 0 EHADLO C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)CC(C)(C)C ZINC000443017248 1025666791 /nfs/dbraw/zinc/66/67/91/1025666791.db2.gz YUICWPLNJCSKEX-INIZCTEOSA-N 1 2 346.519 3.943 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000443065257 1025683633 /nfs/dbraw/zinc/68/36/33/1025683633.db2.gz HXMKHLJPDZRBLB-CYBMUJFWSA-N 1 2 347.768 3.901 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000443065257 1025683634 /nfs/dbraw/zinc/68/36/34/1025683634.db2.gz HXMKHLJPDZRBLB-CYBMUJFWSA-N 1 2 347.768 3.901 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2Cc3cccc(C)c3CC2(C)C)n1 ZINC000451259301 1025712222 /nfs/dbraw/zinc/71/22/22/1025712222.db2.gz HXIBXFXSCSGMOC-CQSZACIVSA-N 1 2 329.444 3.812 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2Cc3cccc(C)c3CC2(C)C)n1 ZINC000451259301 1025712240 /nfs/dbraw/zinc/71/22/40/1025712240.db2.gz HXIBXFXSCSGMOC-CQSZACIVSA-N 1 2 329.444 3.812 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000443098636 1025727829 /nfs/dbraw/zinc/72/78/29/1025727829.db2.gz AZMQPDJCBKGFAR-NVXWUHKLSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CCSCC1 ZINC000474875687 1025745572 /nfs/dbraw/zinc/74/55/72/1025745572.db2.gz BRVSAESXUJRABD-QLFBSQMISA-N 1 2 335.517 3.639 20 0 EHADLO Cc1cc(Nc2ccc(NC3CCCC3)[nH+]c2)nc(-c2ccccn2)n1 ZINC000521882016 1025747217 /nfs/dbraw/zinc/74/72/17/1025747217.db2.gz MYQJNGKFJYOOIJ-UHFFFAOYSA-N 1 2 346.438 3.762 20 0 EHADLO Cc1csc(C[C@@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896621033 1025749991 /nfs/dbraw/zinc/74/99/91/1025749991.db2.gz OHRUWVGTKDKKGZ-AWEZNQCLSA-N 1 2 328.485 3.886 20 0 EHADLO COCC(C)(C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425566114 1025770674 /nfs/dbraw/zinc/77/06/74/1025770674.db2.gz HMMOMKMYCXQLQK-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC000436493072 1025777758 /nfs/dbraw/zinc/77/77/58/1025777758.db2.gz KYUMXXPXPKCPKE-UHFFFAOYSA-N 1 2 342.418 3.500 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3F)CC2)c(C)[nH+]1 ZINC000436494159 1025779271 /nfs/dbraw/zinc/77/92/71/1025779271.db2.gz MUMUWHHVBBNCBB-UHFFFAOYSA-N 1 2 342.418 3.500 20 0 EHADLO C[C@H](c1nc(CCC(F)(F)F)no1)[N@@H+]1CCc2ccccc2C1 ZINC000443198358 1025800284 /nfs/dbraw/zinc/80/02/84/1025800284.db2.gz OEJMRFINTPKJNQ-LLVKDONJSA-N 1 2 325.334 3.684 20 0 EHADLO C[C@H](c1nc(CCC(F)(F)F)no1)[N@H+]1CCc2ccccc2C1 ZINC000443198358 1025800304 /nfs/dbraw/zinc/80/03/04/1025800304.db2.gz OEJMRFINTPKJNQ-LLVKDONJSA-N 1 2 325.334 3.684 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000444166729 1025861184 /nfs/dbraw/zinc/86/11/84/1025861184.db2.gz KMJIYALTJJMQFH-ABAIWWIYSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000444166729 1025861207 /nfs/dbraw/zinc/86/12/07/1025861207.db2.gz KMJIYALTJJMQFH-ABAIWWIYSA-N 1 2 333.432 3.612 20 0 EHADLO Brc1ccc(-n2ccnc2SCCn2cc[nH+]c2)cc1 ZINC000121867229 1025920699 /nfs/dbraw/zinc/92/06/99/1025920699.db2.gz IODGOEBXSZABCV-UHFFFAOYSA-N 1 2 349.257 3.624 20 0 EHADLO COCC1CC[NH+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141910025 1025930266 /nfs/dbraw/zinc/93/02/66/1025930266.db2.gz ILRLMOIWEFQXSY-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO Cc1[nH]c(CNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)[nH+]c1C ZINC000896911190 1025939199 /nfs/dbraw/zinc/93/91/99/1025939199.db2.gz MKCSSQQUDLIEGR-UHFFFAOYSA-N 1 2 333.863 3.955 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccco2)C(C)C)c1C ZINC000444248590 1025963187 /nfs/dbraw/zinc/96/31/87/1025963187.db2.gz OUWRTIQOSVFRPV-INIZCTEOSA-N 1 2 346.471 3.999 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccco2)C(C)C)c1C ZINC000444248590 1025963197 /nfs/dbraw/zinc/96/31/97/1025963197.db2.gz OUWRTIQOSVFRPV-INIZCTEOSA-N 1 2 346.471 3.999 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896919604 1026025408 /nfs/dbraw/zinc/02/54/08/1026025408.db2.gz UPUVGBACMQSROD-JTQLQIEISA-N 1 2 339.361 3.855 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1Cl ZINC000684838073 1026030004 /nfs/dbraw/zinc/03/00/04/1026030004.db2.gz AGFPNXBZBJLOSV-UHFFFAOYSA-N 1 2 345.752 3.999 20 0 EHADLO COC[C@@H](C)Oc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000657406432 1026033631 /nfs/dbraw/zinc/03/36/31/1026033631.db2.gz DAVFEGDOEMMQSN-MRXNPFEDSA-N 1 2 337.423 3.898 20 0 EHADLO Clc1cc(NCc2ccnn2CC2CC2)ccc1-n1cc[nH+]c1 ZINC000657409196 1026064289 /nfs/dbraw/zinc/06/42/89/1026064289.db2.gz YBSBDUBUYXFFAL-UHFFFAOYSA-N 1 2 327.819 3.744 20 0 EHADLO CC(C)(C)c1nc(-c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)co1 ZINC000896819285 1026077749 /nfs/dbraw/zinc/07/77/49/1026077749.db2.gz SHENASPBNSEWCF-UHFFFAOYSA-N 1 2 349.394 3.799 20 0 EHADLO Cc1csc2nc(C)nc(N3CCC[C@H]3c3[nH]c(C)c(C)[nH+]3)c12 ZINC000895192548 1026087216 /nfs/dbraw/zinc/08/72/16/1026087216.db2.gz IGTNKTYKKFBZNK-ZDUSSCGKSA-N 1 2 327.457 3.990 20 0 EHADLO c1cn(-c2ccc(Cc3noc(CC4CCSCC4)n3)cc2)c[nH+]1 ZINC000896822831 1026092725 /nfs/dbraw/zinc/09/27/25/1026092725.db2.gz IXXYSAALUQSIOY-UHFFFAOYSA-N 1 2 340.452 3.532 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1OCC ZINC000896930183 1026093777 /nfs/dbraw/zinc/09/37/77/1026093777.db2.gz WZNFCONSVVRIKF-UHFFFAOYSA-N 1 2 345.443 3.534 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366649791 1026094379 /nfs/dbraw/zinc/09/43/79/1026094379.db2.gz DLDLVKQRSLHIQW-DZKIICNBSA-N 1 2 345.874 3.750 20 0 EHADLO CCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1OCCC ZINC000896930398 1026096936 /nfs/dbraw/zinc/09/69/36/1026096936.db2.gz XFJRSPVRJZRRBA-UHFFFAOYSA-N 1 2 345.443 3.534 20 0 EHADLO FC(F)C1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCCC1 ZINC000896821984 1026106856 /nfs/dbraw/zinc/10/68/56/1026106856.db2.gz XXIROOQZWFRIBY-UHFFFAOYSA-N 1 2 344.365 3.923 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@H](Cc3nccs3)C2)c(C)[nH+]1 ZINC000928281292 1026107003 /nfs/dbraw/zinc/10/70/03/1026107003.db2.gz WLFHIYQHAMEQOK-OAHLLOKOSA-N 1 2 329.469 3.558 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000428307328 1026115705 /nfs/dbraw/zinc/11/57/05/1026115705.db2.gz UDWMCMWCJAGXEY-UHFFFAOYSA-N 1 2 331.435 3.563 20 0 EHADLO Cc1nc(C(C)C)oc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000428307328 1026115721 /nfs/dbraw/zinc/11/57/21/1026115721.db2.gz UDWMCMWCJAGXEY-UHFFFAOYSA-N 1 2 331.435 3.563 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451579828 1026130706 /nfs/dbraw/zinc/13/07/06/1026130706.db2.gz ZCKUKXMBYKWDCA-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451579828 1026130714 /nfs/dbraw/zinc/13/07/14/1026130714.db2.gz ZCKUKXMBYKWDCA-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc[nH+]1 ZINC000896954205 1026154163 /nfs/dbraw/zinc/15/41/63/1026154163.db2.gz AZXMSCUTRWRODE-AWEZNQCLSA-N 1 2 332.448 3.519 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3cncc(Br)c3C)[nH]c21 ZINC000657421282 1026174165 /nfs/dbraw/zinc/17/41/65/1026174165.db2.gz FVZZUFYFWZKXKD-UHFFFAOYSA-N 1 2 345.244 3.627 20 0 EHADLO C[C@@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC=CCC1 ZINC000451659844 1026210829 /nfs/dbraw/zinc/21/08/29/1026210829.db2.gz BYVQPIIYSOFDRB-OXJNMPFZSA-N 1 2 327.472 3.672 20 0 EHADLO O=C([C@H]1CCCCC1(F)F)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000451692082 1026231512 /nfs/dbraw/zinc/23/15/12/1026231512.db2.gz SFKVCIJUDQOEJN-CABCVRRESA-N 1 2 342.817 3.638 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCc3ccccc32)s1 ZINC000122109327 1026242750 /nfs/dbraw/zinc/24/27/50/1026242750.db2.gz AOZYWWHZKIHFFX-CQSZACIVSA-N 1 2 343.496 3.596 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCc3ccccc32)s1 ZINC000122109327 1026242760 /nfs/dbraw/zinc/24/27/60/1026242760.db2.gz AOZYWWHZKIHFFX-CQSZACIVSA-N 1 2 343.496 3.596 20 0 EHADLO CCCCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122119329 1026245832 /nfs/dbraw/zinc/24/58/32/1026245832.db2.gz JBPVYRLNLRFDGW-AWEZNQCLSA-N 1 2 325.522 3.655 20 0 EHADLO CCCCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122119329 1026245844 /nfs/dbraw/zinc/24/58/44/1026245844.db2.gz JBPVYRLNLRFDGW-AWEZNQCLSA-N 1 2 325.522 3.655 20 0 EHADLO CC(C)CC(CC(C)C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000451752311 1026261081 /nfs/dbraw/zinc/26/10/81/1026261081.db2.gz YNTULKNEVPNBDK-UHFFFAOYSA-N 1 2 328.460 3.973 20 0 EHADLO OCC1(C(F)(F)F)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000897044527 1026262750 /nfs/dbraw/zinc/26/27/50/1026262750.db2.gz BNBKJCZWFOCWLM-UHFFFAOYSA-N 1 2 347.324 3.904 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c(C)n1-c1nccs1 ZINC000530778064 1026287647 /nfs/dbraw/zinc/28/76/47/1026287647.db2.gz HDIZSRCLPHKFTE-CHWSQXEVSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cc(C)cc(C)c2)c1 ZINC000530820238 1026320038 /nfs/dbraw/zinc/32/00/38/1026320038.db2.gz QFZKBDLISJJHAK-UHFFFAOYSA-N 1 2 333.435 3.770 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2cnc3cc(C)nn3c2C)c[nH+]1 ZINC000192762779 1026338481 /nfs/dbraw/zinc/33/84/81/1026338481.db2.gz CMYYYOZBPITUJG-AWEZNQCLSA-N 1 2 338.459 3.760 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000192762915 1026339425 /nfs/dbraw/zinc/33/94/25/1026339425.db2.gz OUBUYYOGGPVUJN-CQSZACIVSA-N 1 2 347.484 3.504 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847903 1026341052 /nfs/dbraw/zinc/34/10/52/1026341052.db2.gz YYFCFIWGFJCVHB-HPFXQQBRSA-N 1 2 330.472 3.985 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847903 1026341063 /nfs/dbraw/zinc/34/10/63/1026341063.db2.gz YYFCFIWGFJCVHB-HPFXQQBRSA-N 1 2 330.472 3.985 20 0 EHADLO CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(O)c1 ZINC000563366544 1026366237 /nfs/dbraw/zinc/36/62/37/1026366237.db2.gz RGUDKLFTFOXPBU-UHFFFAOYSA-N 1 2 346.456 3.503 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000451903285 1026368013 /nfs/dbraw/zinc/36/80/13/1026368013.db2.gz DOPGEZWURYMKLB-INIZCTEOSA-N 1 2 342.270 3.768 20 0 EHADLO CC(C)OC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000530925834 1026406296 /nfs/dbraw/zinc/40/62/96/1026406296.db2.gz YJCMYMJXEYLGCT-UHFFFAOYSA-N 1 2 330.241 3.978 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986518 1026423022 /nfs/dbraw/zinc/42/30/22/1026423022.db2.gz XWPVIFJJWSWSDM-KRWDZBQOSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986518 1026423029 /nfs/dbraw/zinc/42/30/29/1026423029.db2.gz XWPVIFJJWSWSDM-KRWDZBQOSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@H+](Cc3noc(-c4ccccc4C)n3)C2)c1 ZINC000582495248 1026424759 /nfs/dbraw/zinc/42/47/59/1026424759.db2.gz BWBKDZNFQMWARG-MRXNPFEDSA-N 1 2 334.423 3.738 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4C)n3)C2)c1 ZINC000582495248 1026424770 /nfs/dbraw/zinc/42/47/70/1026424770.db2.gz BWBKDZNFQMWARG-MRXNPFEDSA-N 1 2 334.423 3.738 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C2CC2)O1 ZINC000475280442 1026430729 /nfs/dbraw/zinc/43/07/29/1026430729.db2.gz NOZIHEVNIIWRQI-KUHUBIRLSA-N 1 2 334.891 3.940 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C2CC2)O1 ZINC000475280442 1026430732 /nfs/dbraw/zinc/43/07/32/1026430732.db2.gz NOZIHEVNIIWRQI-KUHUBIRLSA-N 1 2 334.891 3.940 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452063394 1026457312 /nfs/dbraw/zinc/45/73/12/1026457312.db2.gz WOGADUDTVYQOQI-KRWDZBQOSA-N 1 2 349.500 3.713 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311977 1026467690 /nfs/dbraw/zinc/46/76/90/1026467690.db2.gz AIQHTPWJWJURAZ-MSOLQXFVSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311977 1026467694 /nfs/dbraw/zinc/46/76/94/1026467694.db2.gz AIQHTPWJWJURAZ-MSOLQXFVSA-N 1 2 341.854 3.794 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277660722 1026478565 /nfs/dbraw/zinc/47/85/65/1026478565.db2.gz OYTOSPBSSGTUEY-FYSMJZIKSA-N 1 2 343.492 3.705 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277660722 1026478567 /nfs/dbraw/zinc/47/85/67/1026478567.db2.gz OYTOSPBSSGTUEY-FYSMJZIKSA-N 1 2 343.492 3.705 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCSC4(CCCCC4)C3)ccn12 ZINC000563380949 1026484632 /nfs/dbraw/zinc/48/46/32/1026484632.db2.gz LISFZEIYEYMRMY-UHFFFAOYSA-N 1 2 329.469 3.535 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)cc1Br)C[C@@H]1CCCCO1 ZINC001142010535 1026513222 /nfs/dbraw/zinc/51/32/22/1026513222.db2.gz BQQUZHQJPZBETI-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)cc1Br)C[C@@H]1CCCCO1 ZINC001142010535 1026513228 /nfs/dbraw/zinc/51/32/28/1026513228.db2.gz BQQUZHQJPZBETI-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000657453159 1026523409 /nfs/dbraw/zinc/52/34/09/1026523409.db2.gz WKOHGLOGGGPNPA-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)c1ccc(F)cc1 ZINC000475373775 1026534029 /nfs/dbraw/zinc/53/40/29/1026534029.db2.gz XRPXQKJPFIVSGT-CQSZACIVSA-N 1 2 340.402 3.766 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000582554938 1026575561 /nfs/dbraw/zinc/57/55/61/1026575561.db2.gz XZHGRJRJJPHPTI-WMZOPIPTSA-N 1 2 344.842 3.829 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000582554938 1026575568 /nfs/dbraw/zinc/57/55/68/1026575568.db2.gz XZHGRJRJJPHPTI-WMZOPIPTSA-N 1 2 344.842 3.829 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000475413245 1026587771 /nfs/dbraw/zinc/58/77/71/1026587771.db2.gz LSRMRCPRYSMSCO-KRWDZBQOSA-N 1 2 329.488 3.905 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000897271028 1026630049 /nfs/dbraw/zinc/63/00/49/1026630049.db2.gz FXBHLWUNCDBVIT-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000897271028 1026630053 /nfs/dbraw/zinc/63/00/53/1026630053.db2.gz FXBHLWUNCDBVIT-LBPRGKRZSA-N 1 2 334.407 3.801 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1C ZINC000611624793 1026639983 /nfs/dbraw/zinc/63/99/83/1026639983.db2.gz QDNOWHFPXQGRQS-SOLBZPMBSA-N 1 2 344.503 3.696 20 0 EHADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335486 1026668357 /nfs/dbraw/zinc/66/83/57/1026668357.db2.gz QPBLKKQBYXNVDZ-GFCCVEGCSA-N 1 2 345.830 3.720 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531199912 1026681879 /nfs/dbraw/zinc/68/18/79/1026681879.db2.gz PCPLUCGEZGTGID-UHFFFAOYSA-N 1 2 342.443 3.917 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531199912 1026681884 /nfs/dbraw/zinc/68/18/84/1026681884.db2.gz PCPLUCGEZGTGID-UHFFFAOYSA-N 1 2 342.443 3.917 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3nc4ccccc4[nH]3)CC2)s1 ZINC000301092376 1026682770 /nfs/dbraw/zinc/68/27/70/1026682770.db2.gz SUSGPIWQZPCFSN-UHFFFAOYSA-N 1 2 332.860 3.600 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531202472 1026683673 /nfs/dbraw/zinc/68/36/73/1026683673.db2.gz YTINZXFGWQHVMB-INIZCTEOSA-N 1 2 330.457 3.512 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531202472 1026683678 /nfs/dbraw/zinc/68/36/78/1026683678.db2.gz YTINZXFGWQHVMB-INIZCTEOSA-N 1 2 330.457 3.512 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000039030949 1026684513 /nfs/dbraw/zinc/68/45/13/1026684513.db2.gz JXXRTWXDUMNJOP-LJQANCHMSA-N 1 2 329.827 3.986 20 0 EHADLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000039030949 1026684520 /nfs/dbraw/zinc/68/45/20/1026684520.db2.gz JXXRTWXDUMNJOP-LJQANCHMSA-N 1 2 329.827 3.986 20 0 EHADLO Cc1ccc(Br)cc1NC(=O)CCNc1cccc[nH+]1 ZINC000301131393 1026697532 /nfs/dbraw/zinc/69/75/32/1026697532.db2.gz RVKAUCUHPPDZGY-UHFFFAOYSA-N 1 2 334.217 3.593 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cncc(Cl)n2)CC1 ZINC000301469406 1026818407 /nfs/dbraw/zinc/81/84/07/1026818407.db2.gz RWULKYMYAKEDLN-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(C)c[nH+]1 ZINC000548746319 1026819109 /nfs/dbraw/zinc/81/91/09/1026819109.db2.gz AAQZQBZFNHGNDO-WBVHZDCISA-N 1 2 327.403 3.717 20 0 EHADLO c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000684958335 1026853087 /nfs/dbraw/zinc/85/30/87/1026853087.db2.gz XNDKVVZHEPECLJ-LJQANCHMSA-N 1 2 332.451 3.688 20 0 EHADLO CCOc1cc(C)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301600220 1026868182 /nfs/dbraw/zinc/86/81/82/1026868182.db2.gz IJCCKSAFAWIKFF-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO CCOc1cc(C)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301600220 1026868186 /nfs/dbraw/zinc/86/81/86/1026868186.db2.gz IJCCKSAFAWIKFF-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000122944782 1026869909 /nfs/dbraw/zinc/86/99/09/1026869909.db2.gz ZABOYEBJDUCGAX-ZFWWWQNUSA-N 1 2 332.469 3.870 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000122944782 1026869919 /nfs/dbraw/zinc/86/99/19/1026869919.db2.gz ZABOYEBJDUCGAX-ZFWWWQNUSA-N 1 2 332.469 3.870 20 0 EHADLO CC(C)CCc1nc(C[NH2+][C@]2(CO)CCc3ccccc32)cs1 ZINC000305720046 1026926004 /nfs/dbraw/zinc/92/60/04/1026926004.db2.gz JISXZFLAUGPUSG-IBGZPJMESA-N 1 2 330.497 3.655 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(OC(F)F)cc1 ZINC000301787743 1026937947 /nfs/dbraw/zinc/93/79/47/1026937947.db2.gz PLFZPRLYDVJDHM-JTQLQIEISA-N 1 2 330.338 3.987 20 0 EHADLO Clc1ccccc1O[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301804242 1026944233 /nfs/dbraw/zinc/94/42/33/1026944233.db2.gz BDAHYYJCKAKKGE-AWEZNQCLSA-N 1 2 344.846 3.610 20 0 EHADLO Clc1ccccc1O[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301804242 1026944240 /nfs/dbraw/zinc/94/42/40/1026944240.db2.gz BDAHYYJCKAKKGE-AWEZNQCLSA-N 1 2 344.846 3.610 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301817469 1026950924 /nfs/dbraw/zinc/95/09/24/1026950924.db2.gz KBVSDZQSPHZYLA-ZDUSSCGKSA-N 1 2 330.395 3.571 20 0 EHADLO COc1ccc([C@@H](O)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000301823242 1026951902 /nfs/dbraw/zinc/95/19/02/1026951902.db2.gz NBEHVQFVTAVMJG-KRWDZBQOSA-N 1 2 329.444 3.878 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1c[nH]c2ccccc12 ZINC000301826135 1026953931 /nfs/dbraw/zinc/95/39/31/1026953931.db2.gz DZIAWFYXLUZJOP-UHFFFAOYSA-N 1 2 334.427 3.717 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc(Cl)cc1 ZINC000301844277 1026961607 /nfs/dbraw/zinc/96/16/07/1026961607.db2.gz SCEQVZUAUFNUTG-UHFFFAOYSA-N 1 2 329.835 3.889 20 0 EHADLO COc1cccc(C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000301854767 1026965524 /nfs/dbraw/zinc/96/55/24/1026965524.db2.gz CJZFKKNNTXUMOC-UHFFFAOYSA-N 1 2 334.423 3.605 20 0 EHADLO Nc1nc(NCCCOc2cccc3cccnc32)[nH+]c2ccccc12 ZINC000301861408 1026969262 /nfs/dbraw/zinc/96/92/62/1026969262.db2.gz FXEMNJPWAHLLEU-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccccc1Cl ZINC000301871842 1026972355 /nfs/dbraw/zinc/97/23/55/1026972355.db2.gz HLZGVCAFKNVYND-UHFFFAOYSA-N 1 2 329.835 3.889 20 0 EHADLO CCOc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301872415 1026973089 /nfs/dbraw/zinc/97/30/89/1026973089.db2.gz HOXNOJLSVRAWLJ-UHFFFAOYSA-N 1 2 325.416 3.592 20 0 EHADLO Nc1nc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)[nH+]c2ccccc12 ZINC000301886448 1026980556 /nfs/dbraw/zinc/98/05/56/1026980556.db2.gz PBEFGDLJZFETFZ-MAUKXSAKSA-N 1 2 334.423 3.792 20 0 EHADLO CCc1ccc([C@H](COC)Nc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000301890555 1026982009 /nfs/dbraw/zinc/98/20/09/1026982009.db2.gz NVDVOKSKWYNRJY-AWEZNQCLSA-N 1 2 343.431 3.536 20 0 EHADLO Cc1c[nH+]c(CN2CCc3c(Br)cccc3[C@@H]2C)n1C ZINC000342768029 1026990070 /nfs/dbraw/zinc/99/00/70/1026990070.db2.gz IAZIXTZRCORAGS-LBPRGKRZSA-N 1 2 334.261 3.610 20 0 EHADLO CC(=O)N(c1nc(CNc2c[nH+]cc3c2CCCC3)cs1)C1CC1 ZINC000657533345 1027004946 /nfs/dbraw/zinc/00/49/46/1027004946.db2.gz MCDDENBQOQMBFS-UHFFFAOYSA-N 1 2 342.468 3.544 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(NC5CC5)[nH+]cn4)C3)nc2c1 ZINC000665691664 1027015145 /nfs/dbraw/zinc/01/51/45/1027015145.db2.gz LQFDPQXVEAHBDT-CYBMUJFWSA-N 1 2 335.411 3.576 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(NC5CC5)nc[nH+]4)C3)nc2c1 ZINC000665691664 1027015151 /nfs/dbraw/zinc/01/51/51/1027015151.db2.gz LQFDPQXVEAHBDT-CYBMUJFWSA-N 1 2 335.411 3.576 20 0 EHADLO Cc1nc(N2CCC(OC3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302072203 1027043124 /nfs/dbraw/zinc/04/31/24/1027043124.db2.gz ZBMNLGYHERKMTC-UHFFFAOYSA-N 1 2 329.488 3.982 20 0 EHADLO CCO[C@H](C)c1nc(CN(C)c2nc(C)[nH+]c3c2CCCC3)cs1 ZINC000302081157 1027047727 /nfs/dbraw/zinc/04/77/27/1027047727.db2.gz JDAWXXHNAPJWSP-GFCCVEGCSA-N 1 2 346.500 3.854 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000074581586 1027053758 /nfs/dbraw/zinc/05/37/58/1027053758.db2.gz FLBIMNBVZYJRFQ-QGZVFWFLSA-N 1 2 349.409 3.950 20 0 EHADLO OCC[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000665698741 1027075790 /nfs/dbraw/zinc/07/57/90/1027075790.db2.gz UPWRWSPJXVHBNM-GFCCVEGCSA-N 1 2 335.245 3.596 20 0 EHADLO CC[N@H+](Cc1nnc(C)n1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123280933 1027083791 /nfs/dbraw/zinc/08/37/91/1027083791.db2.gz DKIFGCJPOXFZBR-LLVKDONJSA-N 1 2 326.366 3.725 20 0 EHADLO CC[N@@H+](Cc1nnc(C)n1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123280933 1027083804 /nfs/dbraw/zinc/08/38/04/1027083804.db2.gz DKIFGCJPOXFZBR-LLVKDONJSA-N 1 2 326.366 3.725 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1C ZINC000272734727 1027090700 /nfs/dbraw/zinc/09/07/00/1027090700.db2.gz LXVGLLICWINXLG-AEFFLSMTSA-N 1 2 348.487 3.507 20 0 EHADLO Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000531600045 1027092880 /nfs/dbraw/zinc/09/28/80/1027092880.db2.gz FCMOYGBDEHBPJO-UHFFFAOYSA-N 1 2 344.503 3.574 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](CC)C2)ccc1OCC(F)(F)F ZINC000125570829 1027093576 /nfs/dbraw/zinc/09/35/76/1027093576.db2.gz OHSFRLALRSUIIW-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](CC)C2)ccc1OCC(F)(F)F ZINC000125570829 1027093585 /nfs/dbraw/zinc/09/35/85/1027093585.db2.gz OHSFRLALRSUIIW-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000531623905 1027102282 /nfs/dbraw/zinc/10/22/82/1027102282.db2.gz JRCAXADOVFQTKB-UHFFFAOYSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000125642201 1027104714 /nfs/dbraw/zinc/10/47/14/1027104714.db2.gz MKZUQABEWSBPHW-HLLBOEOZSA-N 1 2 337.423 3.843 20 0 EHADLO Cc1occc1CN(C)c1cc(N(C)Cc2ccoc2C)[nH+]cn1 ZINC000302247160 1027109559 /nfs/dbraw/zinc/10/95/59/1027109559.db2.gz UESNARJWBIDZTP-UHFFFAOYSA-N 1 2 326.400 3.552 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC=C(COC)CC1 ZINC000302415594 1027145958 /nfs/dbraw/zinc/14/59/58/1027145958.db2.gz NGEVKKQCTCZBEC-UHFFFAOYSA-N 1 2 340.423 3.503 20 0 EHADLO Cc1ccc(CSCCNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454217873 1027184392 /nfs/dbraw/zinc/18/43/92/1027184392.db2.gz JQNXNNDRUUMZOG-UHFFFAOYSA-N 1 2 343.496 3.739 20 0 EHADLO CC(C)Cn1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cn1 ZINC000272936832 1027185511 /nfs/dbraw/zinc/18/55/11/1027185511.db2.gz UONOXNRCQFTHAD-UHFFFAOYSA-N 1 2 349.482 3.503 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000302631389 1027218073 /nfs/dbraw/zinc/21/80/73/1027218073.db2.gz GPFVYFFGTQUQLX-UHFFFAOYSA-N 1 2 349.360 3.815 20 0 EHADLO COc1ccc2oc(C[NH2+][C@@H]3CCCn4nc(C(C)C)nc43)cc2c1 ZINC000126599557 1027221811 /nfs/dbraw/zinc/22/18/11/1027221811.db2.gz SQJODBPDSMPIKM-MRXNPFEDSA-N 1 2 340.427 3.781 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCCCS1 ZINC000273009547 1027223589 /nfs/dbraw/zinc/22/35/89/1027223589.db2.gz UZZXPSYSVMWAPK-QGZVFWFLSA-N 1 2 339.464 3.826 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CCCCC3)cn2c1 ZINC000075829984 1027228239 /nfs/dbraw/zinc/22/82/39/1027228239.db2.gz PSTRNUZYZURVLW-UHFFFAOYSA-N 1 2 331.485 3.572 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076051594 1027230928 /nfs/dbraw/zinc/23/09/28/1027230928.db2.gz IAZXQITYEIQHLG-WMLDXEAASA-N 1 2 326.444 3.622 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071506 1027236217 /nfs/dbraw/zinc/23/62/17/1027236217.db2.gz QDMJEBBPBGBBEI-HOTGVXAUSA-N 1 2 331.485 3.766 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2noc(Cc3ccccc3)n2)C1 ZINC000076071506 1027236220 /nfs/dbraw/zinc/23/62/20/1027236220.db2.gz QDMJEBBPBGBBEI-HOTGVXAUSA-N 1 2 331.485 3.766 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076076940 1027238727 /nfs/dbraw/zinc/23/87/27/1027238727.db2.gz ZRTILLRPUNCSAU-CZUORRHYSA-N 1 2 344.846 3.640 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000531713747 1027239982 /nfs/dbraw/zinc/23/99/82/1027239982.db2.gz OGRXZUUCHRECNU-ZFWWWQNUSA-N 1 2 334.261 3.673 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1 ZINC000126855487 1027248201 /nfs/dbraw/zinc/24/82/01/1027248201.db2.gz FYJPWJSXFQKGJF-GOEBONIOSA-N 1 2 344.459 3.708 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1 ZINC000126855487 1027248217 /nfs/dbraw/zinc/24/82/17/1027248217.db2.gz FYJPWJSXFQKGJF-GOEBONIOSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000892293037 1027249152 /nfs/dbraw/zinc/24/91/52/1027249152.db2.gz LVWBXDYNCPWRPM-UHFFFAOYSA-N 1 2 331.460 3.611 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501410899 1027267890 /nfs/dbraw/zinc/26/78/90/1027267890.db2.gz NXSJGSPWZSMDPS-MDOVXXIYSA-N 1 2 328.431 3.839 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@](C)(F)C1 ZINC000501410899 1027267906 /nfs/dbraw/zinc/26/79/06/1027267906.db2.gz NXSJGSPWZSMDPS-MDOVXXIYSA-N 1 2 328.431 3.839 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc(F)c(F)c1 ZINC000302759224 1027275930 /nfs/dbraw/zinc/27/59/30/1027275930.db2.gz JSKXSQCNGCJMQA-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccnc(OC2CCOCC2)c1 ZINC000531758134 1027289382 /nfs/dbraw/zinc/28/93/82/1027289382.db2.gz LAVHBEZXVAIJFC-UHFFFAOYSA-N 1 2 349.434 3.530 20 0 EHADLO Fc1cccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)ncnc12 ZINC000302797642 1027297450 /nfs/dbraw/zinc/29/74/50/1027297450.db2.gz RCYULVIRNYFVIA-UHFFFAOYSA-N 1 2 333.370 3.626 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302807269 1027303407 /nfs/dbraw/zinc/30/34/07/1027303407.db2.gz XOOGHCMBQRWBTF-CQSZACIVSA-N 1 2 338.411 3.541 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302807269 1027303422 /nfs/dbraw/zinc/30/34/22/1027303422.db2.gz XOOGHCMBQRWBTF-CQSZACIVSA-N 1 2 338.411 3.541 20 0 EHADLO COc1cccc2c(NCc3ccc(OC(F)F)cn3)cc[nH+]c12 ZINC000302807937 1027303921 /nfs/dbraw/zinc/30/39/21/1027303921.db2.gz GESYDUPDTOFLQC-UHFFFAOYSA-N 1 2 331.322 3.852 20 0 EHADLO FC(F)Oc1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)ccn1 ZINC000342810051 1027313535 /nfs/dbraw/zinc/31/35/35/1027313535.db2.gz NWCHVQKZPXSSGM-GOSISDBHSA-N 1 2 341.361 3.957 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)c2ncnn21 ZINC000657568697 1027329177 /nfs/dbraw/zinc/32/91/77/1027329177.db2.gz JAOFYRQBUBNHGA-RNCFNFMXSA-N 1 2 347.216 3.582 20 0 EHADLO CSC1(CNc2cc(NCC3(SC)CCC3)[nH+]cn2)CCC1 ZINC000302863065 1027330654 /nfs/dbraw/zinc/33/06/54/1027330654.db2.gz RQQXUVXXVXXAMF-UHFFFAOYSA-N 1 2 338.546 3.872 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)c2ncnn21 ZINC000657570389 1027334444 /nfs/dbraw/zinc/33/44/44/1027334444.db2.gz SEHCLDUESQZOJE-IAQYHMDHSA-N 1 2 328.803 3.987 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000302873778 1027336342 /nfs/dbraw/zinc/33/63/42/1027336342.db2.gz CWVIUNOJOTVCRU-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1c1cc(N2CCSCC2)nc[nH+]1 ZINC000302873778 1027336355 /nfs/dbraw/zinc/33/63/55/1027336355.db2.gz CWVIUNOJOTVCRU-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2nsnc21)c1nc(C2CCCCC2)no1 ZINC000273259273 1027340416 /nfs/dbraw/zinc/34/04/16/1027340416.db2.gz BUTRUENLLHZQHP-NSHDSACASA-N 1 2 343.456 3.973 20 0 EHADLO Clc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccn1 ZINC000273288167 1027357450 /nfs/dbraw/zinc/35/74/50/1027357450.db2.gz FDKPUZRYEGBQKI-UHFFFAOYSA-N 1 2 338.842 3.737 20 0 EHADLO OC[C@@H]1CCCCN1c1cc(NCc2ccc3ccccc3c2)[nH+]cn1 ZINC000302917177 1027362099 /nfs/dbraw/zinc/36/20/99/1027362099.db2.gz WRNZILSWQHZRGS-IBGZPJMESA-N 1 2 348.450 3.593 20 0 EHADLO OC[C@@H]1CCCCN1c1cc(NCc2ccc3ccccc3c2)nc[nH+]1 ZINC000302917177 1027362120 /nfs/dbraw/zinc/36/21/20/1027362120.db2.gz WRNZILSWQHZRGS-IBGZPJMESA-N 1 2 348.450 3.593 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(CO)cc3)n2)ccc1F ZINC000273301923 1027364437 /nfs/dbraw/zinc/36/44/37/1027364437.db2.gz KUPUKARMVIOUTK-ZDUSSCGKSA-N 1 2 341.386 3.527 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000045951806 1027371838 /nfs/dbraw/zinc/37/18/38/1027371838.db2.gz VXCVIXSMYORSRQ-UHFFFAOYSA-N 1 2 338.455 3.797 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)cs1 ZINC000453111609 1027379709 /nfs/dbraw/zinc/37/97/09/1027379709.db2.gz PCRAZFNUXZAQCA-CYBMUJFWSA-N 1 2 326.469 3.957 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000077341384 1027396341 /nfs/dbraw/zinc/39/63/41/1027396341.db2.gz WWBURCLIDVSBPW-INIZCTEOSA-N 1 2 342.487 3.945 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)c(F)cc3F)CC2)c1 ZINC000475492759 1027415310 /nfs/dbraw/zinc/41/53/10/1027415310.db2.gz MFSFETHWUQQQGW-UHFFFAOYSA-N 1 2 349.396 3.982 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(OC[C@@H]2CCCO2)c1 ZINC000453150423 1027418312 /nfs/dbraw/zinc/41/83/12/1027418312.db2.gz XVHOTWJNDYKOSH-BPQIPLTHSA-N 1 2 341.455 3.545 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000077549251 1027428149 /nfs/dbraw/zinc/42/81/49/1027428149.db2.gz NQWWMPXZAGNREM-SJORKVTESA-N 1 2 340.471 3.845 20 0 EHADLO COc1ccccc1-n1nccc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000430040911 1027440625 /nfs/dbraw/zinc/44/06/25/1027440625.db2.gz KJXNANZTIWVRGF-UHFFFAOYSA-N 1 2 345.406 3.679 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000128560292 1027450691 /nfs/dbraw/zinc/45/06/91/1027450691.db2.gz XVHGDFAXDYUDGG-GOSISDBHSA-N 1 2 341.411 3.554 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000128757319 1027476718 /nfs/dbraw/zinc/47/67/18/1027476718.db2.gz PVPHRMBVILZTHG-CQSZACIVSA-N 1 2 334.510 3.648 20 0 EHADLO CCC(CC)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000105004840 1027493481 /nfs/dbraw/zinc/49/34/81/1027493481.db2.gz IITJSJZVNNVWLS-HOTGVXAUSA-N 1 2 347.503 3.854 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c(C)c[nH+]1 ZINC000536574851 1027500008 /nfs/dbraw/zinc/50/00/08/1027500008.db2.gz QVMDAHJCHIDODQ-HNNXBMFYSA-N 1 2 326.440 3.824 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000501767621 1027516571 /nfs/dbraw/zinc/51/65/71/1027516571.db2.gz SCPNMZHLURSHGL-UHFFFAOYSA-N 1 2 348.450 3.789 20 0 EHADLO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nnc(C)n2C)s1 ZINC000047541325 1027591501 /nfs/dbraw/zinc/59/15/01/1027591501.db2.gz OXPGXXMDWVEGSZ-UHFFFAOYSA-N 1 2 340.496 3.738 20 0 EHADLO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nnc(C)n2C)s1 ZINC000047541325 1027591510 /nfs/dbraw/zinc/59/15/10/1027591510.db2.gz OXPGXXMDWVEGSZ-UHFFFAOYSA-N 1 2 340.496 3.738 20 0 EHADLO Clc1cccc2c(N3CCC(O[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000342845536 1027619707 /nfs/dbraw/zinc/61/97/07/1027619707.db2.gz GJJSXZCYXVRLRF-AWEZNQCLSA-N 1 2 332.831 3.663 20 0 EHADLO CCn1c(C[NH2+][C@H](COC)c2cccc(OC)c2)nc2ccccc21 ZINC000657611754 1027628926 /nfs/dbraw/zinc/62/89/26/1027628926.db2.gz PQNKKTOTIXVSPL-GOSISDBHSA-N 1 2 339.439 3.542 20 0 EHADLO Cc1nc(N2CC3(CCOCC3)[C@@H]2c2ccco2)c2c([nH+]1)CCCC2 ZINC000664306147 1027639012 /nfs/dbraw/zinc/63/90/12/1027639012.db2.gz AFFAQHFCAWOGSI-SFHVURJKSA-N 1 2 339.439 3.615 20 0 EHADLO CCCOc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000048123256 1027655703 /nfs/dbraw/zinc/65/57/03/1027655703.db2.gz XMNCMMAIFLOQSF-UHFFFAOYSA-N 1 2 336.823 3.537 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000422252385 1027671909 /nfs/dbraw/zinc/67/19/09/1027671909.db2.gz BGOCQOLDHJJQID-MRXNPFEDSA-N 1 2 348.397 3.626 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCOc2ccccc2)n1 ZINC000119375996 1027674467 /nfs/dbraw/zinc/67/44/67/1027674467.db2.gz FYZPFQQVBHRDQA-AWEZNQCLSA-N 1 2 335.473 3.785 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCOc2ccccc2)n1 ZINC000119375996 1027674472 /nfs/dbraw/zinc/67/44/72/1027674472.db2.gz FYZPFQQVBHRDQA-AWEZNQCLSA-N 1 2 335.473 3.785 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)S[C@H](C)C2)c(Cl)c1 ZINC000072771445 1027691439 /nfs/dbraw/zinc/69/14/39/1027691439.db2.gz WSBMBXRGQWHTAO-UPJWGTAASA-N 1 2 326.893 3.801 20 0 EHADLO Cc1c2cc(F)ccc2oc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420775007 1027721452 /nfs/dbraw/zinc/72/14/52/1027721452.db2.gz BJDBAFLGKBASLX-UHFFFAOYSA-N 1 2 341.386 3.892 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@H](c3cccnc3)C3CC3)o2)cc1 ZINC000347332648 1027731420 /nfs/dbraw/zinc/73/14/20/1027731420.db2.gz CHOSSXLYYMUMCC-FQEVSTJZSA-N 1 2 335.407 3.986 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](C)Oc2ccccc2Cl)cc(C)[nH+]1 ZINC000420794378 1027755055 /nfs/dbraw/zinc/75/50/55/1027755055.db2.gz KOUGKOXJQQJKAA-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO CCC(CC)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000503376216 1027758310 /nfs/dbraw/zinc/75/83/10/1027758310.db2.gz NXNCAICIWPBGGM-LJQANCHMSA-N 1 2 340.471 3.970 20 0 EHADLO COC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(Cl)c1 ZINC000420835234 1027766819 /nfs/dbraw/zinc/76/68/19/1027766819.db2.gz GHKZGBPCBIPGLP-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO FC[C@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000414473650 1027775572 /nfs/dbraw/zinc/77/55/72/1027775572.db2.gz BKHZQLATDVATLY-NSHDSACASA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000414473650 1027775591 /nfs/dbraw/zinc/77/55/91/1027775591.db2.gz BKHZQLATDVATLY-NSHDSACASA-N 1 2 325.733 3.919 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414475205 1027785308 /nfs/dbraw/zinc/78/53/08/1027785308.db2.gz UNHNBTIFLRDYSR-HXUWFJFHSA-N 1 2 326.415 3.889 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414475205 1027785323 /nfs/dbraw/zinc/78/53/23/1027785323.db2.gz UNHNBTIFLRDYSR-HXUWFJFHSA-N 1 2 326.415 3.889 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc(C)[nH+]1 ZINC000420847976 1027788338 /nfs/dbraw/zinc/78/83/38/1027788338.db2.gz LKLTVZAFQSIRJJ-TZMCWYRMSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(F)(c3ccccc3)CC2)cc(C)[nH+]1 ZINC000420845468 1027789444 /nfs/dbraw/zinc/78/94/44/1027789444.db2.gz IFJJAXGICZZKIF-UHFFFAOYSA-N 1 2 341.430 3.869 20 0 EHADLO CC(C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000105092388 1027797784 /nfs/dbraw/zinc/79/77/84/1027797784.db2.gz OEPZYQKXGAQUFI-IBGZPJMESA-N 1 2 340.471 3.970 20 0 EHADLO Cc1cc(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000420856184 1027801079 /nfs/dbraw/zinc/80/10/79/1027801079.db2.gz XRCMTKXEXNOMMI-UHFFFAOYSA-N 1 2 339.414 3.836 20 0 EHADLO CC(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)(c1ccccc1)c1ccccc1 ZINC000132118911 1027876410 /nfs/dbraw/zinc/87/64/10/1027876410.db2.gz KJNKGCJVPHLDLL-QGZVFWFLSA-N 1 2 345.446 3.525 20 0 EHADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420915621 1027901579 /nfs/dbraw/zinc/90/15/79/1027901579.db2.gz FEPKEBNMJMIWRP-CQSZACIVSA-N 1 2 337.872 3.502 20 0 EHADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420915621 1027901584 /nfs/dbraw/zinc/90/15/84/1027901584.db2.gz FEPKEBNMJMIWRP-CQSZACIVSA-N 1 2 337.872 3.502 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000425223442 1027905179 /nfs/dbraw/zinc/90/51/79/1027905179.db2.gz KCEXJDQXTHACER-OAHLLOKOSA-N 1 2 349.356 3.653 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420947923 1027909298 /nfs/dbraw/zinc/90/92/98/1027909298.db2.gz NKKDEORYTVXQPC-GFCCVEGCSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420947923 1027909312 /nfs/dbraw/zinc/90/93/12/1027909312.db2.gz NKKDEORYTVXQPC-GFCCVEGCSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1cc(NC(=O)NCC2(c3ccccc3Cl)CC2)c(C)c[nH+]1 ZINC000536619464 1027913825 /nfs/dbraw/zinc/91/38/25/1027913825.db2.gz HCAXVDQGVNYRIZ-UHFFFAOYSA-N 1 2 329.831 3.627 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@H](CC)O1 ZINC000420959709 1027933313 /nfs/dbraw/zinc/93/33/13/1027933313.db2.gz QRFWLNIMHWNJJF-IYBDPMFKSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@H](CC)O1 ZINC000420959709 1027933323 /nfs/dbraw/zinc/93/33/23/1027933323.db2.gz QRFWLNIMHWNJJF-IYBDPMFKSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000532681692 1027943395 /nfs/dbraw/zinc/94/33/95/1027943395.db2.gz JAPGFXPJIGHQLN-MRXNPFEDSA-N 1 2 343.858 3.773 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000532681692 1027943402 /nfs/dbraw/zinc/94/34/02/1027943402.db2.gz JAPGFXPJIGHQLN-MRXNPFEDSA-N 1 2 343.858 3.773 20 0 EHADLO CCCOc1cccc2c(N[C@@H](CCO)C3CCOCC3)cc[nH+]c12 ZINC000503603256 1027945609 /nfs/dbraw/zinc/94/56/09/1027945609.db2.gz RFTCVIHSMSKSDQ-KRWDZBQOSA-N 1 2 344.455 3.613 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000132643143 1027948896 /nfs/dbraw/zinc/94/88/96/1027948896.db2.gz JZSHENWFIGDTNN-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)sc1C ZINC000347340153 1027958984 /nfs/dbraw/zinc/95/89/84/1027958984.db2.gz PJKVNWOWZLGKJC-HUUCEWRRSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)sc1C ZINC000347340153 1027958999 /nfs/dbraw/zinc/95/89/99/1027958999.db2.gz PJKVNWOWZLGKJC-HUUCEWRRSA-N 1 2 334.510 3.761 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@H](CC)CO)n1 ZINC000347340301 1027963801 /nfs/dbraw/zinc/96/38/01/1027963801.db2.gz OTKBOXPSUVPVGW-GDBMZVCRSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@H](CC)CO)n1 ZINC000347340301 1027963818 /nfs/dbraw/zinc/96/38/18/1027963818.db2.gz OTKBOXPSUVPVGW-GDBMZVCRSA-N 1 2 349.500 3.657 20 0 EHADLO C[C@@H](F)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455280337 1027975620 /nfs/dbraw/zinc/97/56/20/1027975620.db2.gz GCBQXFDGBCOIRE-CYBMUJFWSA-N 1 2 330.407 3.756 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000353120926 1027994051 /nfs/dbraw/zinc/99/40/51/1027994051.db2.gz BYDYLCKHEBANOI-HNNXBMFYSA-N 1 2 347.846 3.547 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1c2ccccc2-c2ccccc21 ZINC000133121771 1028000406 /nfs/dbraw/zinc/00/04/06/1028000406.db2.gz IQVLPSIZGZGLQK-OAHLLOKOSA-N 1 2 343.430 3.674 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000523170526 1028003280 /nfs/dbraw/zinc/00/32/80/1028003280.db2.gz RUCUGPQLIFEMNP-MSOLQXFVSA-N 1 2 340.471 3.559 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ncccc1Oc1ccccc1 ZINC000685040317 1028018939 /nfs/dbraw/zinc/01/89/39/1028018939.db2.gz CWESMSAPMUXKLS-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2nccn2C(C)C)s1 ZINC000657672920 1028022514 /nfs/dbraw/zinc/02/25/14/1028022514.db2.gz ANAIZGGFYFQAAQ-UHFFFAOYSA-N 1 2 328.279 3.886 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000120458916 1028036153 /nfs/dbraw/zinc/03/61/53/1028036153.db2.gz KREYGWRURXSJCU-IBGZPJMESA-N 1 2 348.512 3.908 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000120458916 1028036175 /nfs/dbraw/zinc/03/61/75/1028036175.db2.gz KREYGWRURXSJCU-IBGZPJMESA-N 1 2 348.512 3.908 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277951630 1028092210 /nfs/dbraw/zinc/09/22/10/1028092210.db2.gz LCSVWDKSMUJVEG-HNNXBMFYSA-N 1 2 349.434 3.736 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nncn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000444647699 1028111701 /nfs/dbraw/zinc/11/17/01/1028111701.db2.gz LVOABLVYUZCOHY-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000444647699 1028111707 /nfs/dbraw/zinc/11/17/07/1028111707.db2.gz LVOABLVYUZCOHY-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO Cc1nsc(N2CC[NH+](Cc3cc4cc(C)c(C)cc4o3)CC2)n1 ZINC000353663197 1028131559 /nfs/dbraw/zinc/13/15/59/1028131559.db2.gz CKIVPTXIRCOEPJ-UHFFFAOYSA-N 1 2 342.468 3.532 20 0 EHADLO CC(C)([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000444686584 1028132303 /nfs/dbraw/zinc/13/23/03/1028132303.db2.gz WLJXZYXIJRWMBY-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3cc(Cl)ccc3F)cc12 ZINC000444687759 1028146306 /nfs/dbraw/zinc/14/63/06/1028146306.db2.gz BTEHJZXUCSAJSF-UHFFFAOYSA-N 1 2 332.810 3.701 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3cc(Cl)ccc3F)cc12 ZINC000444687759 1028146310 /nfs/dbraw/zinc/14/63/10/1028146310.db2.gz BTEHJZXUCSAJSF-UHFFFAOYSA-N 1 2 332.810 3.701 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000134972398 1028161676 /nfs/dbraw/zinc/16/16/76/1028161676.db2.gz PYRTWNXOZPLRQY-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333583276 1028166500 /nfs/dbraw/zinc/16/65/00/1028166500.db2.gz KLHNDCJBWGIVQU-PXNSSMCTSA-N 1 2 344.503 3.543 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(F)c(Cl)c1 ZINC000444694125 1028167358 /nfs/dbraw/zinc/16/73/58/1028167358.db2.gz PYZANEQTSXHDCP-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(F)c(Cl)c1 ZINC000444694125 1028167365 /nfs/dbraw/zinc/16/73/65/1028167365.db2.gz PYZANEQTSXHDCP-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423090681 1028176999 /nfs/dbraw/zinc/17/69/99/1028176999.db2.gz YENSFKJFCBVIGM-QGZVFWFLSA-N 1 2 334.366 3.528 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710535 1028189108 /nfs/dbraw/zinc/18/91/08/1028189108.db2.gz VMOFCUXWYSCSMM-ZDUSSCGKSA-N 1 2 332.394 3.986 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710535 1028189117 /nfs/dbraw/zinc/18/91/17/1028189117.db2.gz VMOFCUXWYSCSMM-ZDUSSCGKSA-N 1 2 332.394 3.986 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)o1 ZINC000444711480 1028193161 /nfs/dbraw/zinc/19/31/61/1028193161.db2.gz XECSQAWHTUKGKA-NSHDSACASA-N 1 2 338.249 3.896 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)o1 ZINC000444711480 1028193169 /nfs/dbraw/zinc/19/31/69/1028193169.db2.gz XECSQAWHTUKGKA-NSHDSACASA-N 1 2 338.249 3.896 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC[C@H]1C1CCCC1 ZINC000548778999 1028194574 /nfs/dbraw/zinc/19/45/74/1028194574.db2.gz PBWAPDFWVSTDNB-KRWDZBQOSA-N 1 2 339.443 3.513 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC2(c3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC000455469306 1028203534 /nfs/dbraw/zinc/20/35/34/1028203534.db2.gz HRGJTOSDMILVQS-UHFFFAOYSA-N 1 2 327.403 3.999 20 0 EHADLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000053944869 1028214469 /nfs/dbraw/zinc/21/44/69/1028214469.db2.gz SNRSXQHTEAYSQY-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000053944869 1028214486 /nfs/dbraw/zinc/21/44/86/1028214486.db2.gz SNRSXQHTEAYSQY-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739660 1028223570 /nfs/dbraw/zinc/22/35/70/1028223570.db2.gz VGLFQCDMPWUZJO-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739660 1028223583 /nfs/dbraw/zinc/22/35/83/1028223583.db2.gz VGLFQCDMPWUZJO-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136222714 1028241664 /nfs/dbraw/zinc/24/16/64/1028241664.db2.gz NBPBUQMKWLHKAB-IRXDYDNUSA-N 1 2 334.508 3.599 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cc(C)c(O)c(C)c2)c(C)[nH+]1 ZINC000455492790 1028265676 /nfs/dbraw/zinc/26/56/76/1028265676.db2.gz BXMRWSUNGDWENE-UHFFFAOYSA-N 1 2 327.428 3.694 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c(C)[nH+]1 ZINC000455501347 1028274623 /nfs/dbraw/zinc/27/46/23/1028274623.db2.gz UKRNORFWEQIEJQ-AWEZNQCLSA-N 1 2 327.428 3.807 20 0 EHADLO CC(C)c1ccsc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697102 1028285122 /nfs/dbraw/zinc/28/51/22/1028285122.db2.gz GRTNNUXYOAZYEV-UHFFFAOYSA-N 1 2 325.437 3.987 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000246371397 1028291035 /nfs/dbraw/zinc/29/10/35/1028291035.db2.gz RKRNAQAMCGERJK-OCCSQVGLSA-N 1 2 343.496 3.731 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000246371397 1028291055 /nfs/dbraw/zinc/29/10/55/1028291055.db2.gz RKRNAQAMCGERJK-OCCSQVGLSA-N 1 2 343.496 3.731 20 0 EHADLO O=C(CCSc1cccc(Cl)c1)NCc1ccn2cc[nH+]c2c1 ZINC000342944614 1028305893 /nfs/dbraw/zinc/30/58/93/1028305893.db2.gz STNMVORPESJBCR-UHFFFAOYSA-N 1 2 345.855 3.786 20 0 EHADLO Cn1cccc1C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000195673945 1028308560 /nfs/dbraw/zinc/30/85/60/1028308560.db2.gz ICKRTXLPGPVVGY-UHFFFAOYSA-N 1 2 336.357 3.891 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000195673945 1028308576 /nfs/dbraw/zinc/30/85/76/1028308576.db2.gz ICKRTXLPGPVVGY-UHFFFAOYSA-N 1 2 336.357 3.891 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)nn1C ZINC000421362365 1028314381 /nfs/dbraw/zinc/31/43/81/1028314381.db2.gz JAVIZKGPKCZDNM-UHFFFAOYSA-N 1 2 349.862 3.627 20 0 EHADLO CSCc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000171281080 1028329021 /nfs/dbraw/zinc/32/90/21/1028329021.db2.gz ZAKAXTLLTFTFKM-UHFFFAOYSA-N 1 2 330.457 3.568 20 0 EHADLO Cc1ccc(C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)o1 ZINC000354122231 1028329770 /nfs/dbraw/zinc/32/97/70/1028329770.db2.gz XWUGZHXNQMGIRY-CQSZACIVSA-N 1 2 346.858 3.517 20 0 EHADLO Cc1ccc(C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)o1 ZINC000354122231 1028329787 /nfs/dbraw/zinc/32/97/87/1028329787.db2.gz XWUGZHXNQMGIRY-CQSZACIVSA-N 1 2 346.858 3.517 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000056541582 1028330402 /nfs/dbraw/zinc/33/04/02/1028330402.db2.gz FORAGXGNPSKBMK-UHFFFAOYSA-N 1 2 332.407 3.683 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000566416844 1028343922 /nfs/dbraw/zinc/34/39/22/1028343922.db2.gz KNKZBKGISKVTAD-RDTXWAMCSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000566416844 1028343940 /nfs/dbraw/zinc/34/39/40/1028343940.db2.gz KNKZBKGISKVTAD-RDTXWAMCSA-N 1 2 339.863 3.509 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cs1 ZINC000067457940 1028366171 /nfs/dbraw/zinc/36/61/71/1028366171.db2.gz IACKMDJXHCXKGT-OAHLLOKOSA-N 1 2 349.887 3.962 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cs1 ZINC000067457940 1028366190 /nfs/dbraw/zinc/36/61/90/1028366190.db2.gz IACKMDJXHCXKGT-OAHLLOKOSA-N 1 2 349.887 3.962 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cs1 ZINC000067457941 1028367190 /nfs/dbraw/zinc/36/71/90/1028367190.db2.gz IACKMDJXHCXKGT-HNNXBMFYSA-N 1 2 349.887 3.962 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cs1 ZINC000067457941 1028367205 /nfs/dbraw/zinc/36/72/05/1028367205.db2.gz IACKMDJXHCXKGT-HNNXBMFYSA-N 1 2 349.887 3.962 20 0 EHADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](C)C(C)C ZINC000067702888 1028375486 /nfs/dbraw/zinc/37/54/86/1028375486.db2.gz MMNLZFFRHBBACA-CQSZACIVSA-N 1 2 332.423 3.587 20 0 EHADLO CC(C)(CCNc1cc[nH+]c2c(Cl)cccc12)S(C)(=O)=O ZINC000413520686 1028376276 /nfs/dbraw/zinc/37/62/76/1028376276.db2.gz NBEJGCMDHBCJFF-UHFFFAOYSA-N 1 2 326.849 3.513 20 0 EHADLO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000069065935 1028417666 /nfs/dbraw/zinc/41/76/66/1028417666.db2.gz NKLNRBBFYDKEOY-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000069065935 1028417673 /nfs/dbraw/zinc/41/76/73/1028417673.db2.gz NKLNRBBFYDKEOY-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000069631243 1028436094 /nfs/dbraw/zinc/43/60/94/1028436094.db2.gz UEOKLXVQWOJPMI-RBUKOAKNSA-N 1 2 340.471 3.641 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455557327 1028452773 /nfs/dbraw/zinc/45/27/73/1028452773.db2.gz LFZCPIIYRKIGNW-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)cc2)n1 ZINC000729683875 1028466840 /nfs/dbraw/zinc/46/68/40/1028466840.db2.gz DYZDWUCLLNEEAC-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698153 1028468425 /nfs/dbraw/zinc/46/84/25/1028468425.db2.gz YLNKVHFZIWGOIA-RISCZKNCSA-N 1 2 348.447 3.550 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000072698153 1028468433 /nfs/dbraw/zinc/46/84/33/1028468433.db2.gz YLNKVHFZIWGOIA-RISCZKNCSA-N 1 2 348.447 3.550 20 0 EHADLO Oc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(F)c1F ZINC001212000059 1028477501 /nfs/dbraw/zinc/47/75/01/1028477501.db2.gz KSRMZWKVYXOWLI-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO CCCCOc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071961723 1028493104 /nfs/dbraw/zinc/49/31/04/1028493104.db2.gz NIBXRZQHZWLVMN-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523649828 1028501185 /nfs/dbraw/zinc/50/11/85/1028501185.db2.gz QVKNZUWICKIEEE-DZGCQCFKSA-N 1 2 331.391 3.545 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CCS1 ZINC000072862158 1028524707 /nfs/dbraw/zinc/52/47/07/1028524707.db2.gz XSQWJFPFXHWOIS-CYBMUJFWSA-N 1 2 348.434 3.677 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CCS1 ZINC000072862158 1028524713 /nfs/dbraw/zinc/52/47/13/1028524713.db2.gz XSQWJFPFXHWOIS-CYBMUJFWSA-N 1 2 348.434 3.677 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1scnc1C1CC1)c1cccc(Cl)c1 ZINC000342991364 1028556277 /nfs/dbraw/zinc/55/62/77/1028556277.db2.gz RGTWUHGBJJSCCF-CQSZACIVSA-N 1 2 335.860 3.915 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)C2 ZINC000897336656 1028561176 /nfs/dbraw/zinc/56/11/76/1028561176.db2.gz KICZCSIZEDHEFZ-UHFFFAOYSA-N 1 2 340.254 3.777 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)C2 ZINC000897336656 1028561190 /nfs/dbraw/zinc/56/11/90/1028561190.db2.gz KICZCSIZEDHEFZ-UHFFFAOYSA-N 1 2 340.254 3.777 20 0 EHADLO O[C@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1F ZINC000195069767 1028574540 /nfs/dbraw/zinc/57/45/40/1028574540.db2.gz POXVVXQURSHTAU-IAGOWNOFSA-N 1 2 346.402 3.834 20 0 EHADLO O[C@@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1c(F)cccc1F ZINC000195069924 1028575818 /nfs/dbraw/zinc/57/58/18/1028575818.db2.gz AWYSHBRBZDASKF-RDJZCZTQSA-N 1 2 346.402 3.834 20 0 EHADLO Cc1ccc([C@@H](NC(=O)NCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000504331748 1028575750 /nfs/dbraw/zinc/57/57/50/1028575750.db2.gz JDVUBCMTUASVGC-LJQANCHMSA-N 1 2 338.455 3.643 20 0 EHADLO CN(CC1CC[NH+](C/C(Cl)=C/Cl)CC1)C(=O)OC(C)(C)C ZINC000763532288 1125325807 /nfs/dbraw/zinc/32/58/07/1125325807.db2.gz GTRPEZHHMJJEMR-LCYFTJDESA-N 1 2 337.291 3.884 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000074166946 1028599777 /nfs/dbraw/zinc/59/97/77/1028599777.db2.gz RCBBXCMZTKKVCT-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO C[C@@H](c1nnc(SCC(F)(F)F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000074250846 1028602148 /nfs/dbraw/zinc/60/21/48/1028602148.db2.gz CMHDUAYFOVSZEQ-VIFPVBQESA-N 1 2 348.369 3.683 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCCOc2ccccc2)c1 ZINC000074215768 1028602224 /nfs/dbraw/zinc/60/22/24/1028602224.db2.gz WFKMTTLUOTXWNN-UHFFFAOYSA-N 1 2 349.434 3.722 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000074536200 1028621938 /nfs/dbraw/zinc/62/19/38/1028621938.db2.gz USLGKEZYIYYYFK-SFHVURJKSA-N 1 2 331.419 3.810 20 0 EHADLO Cc1ccc(CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000074564995 1028625053 /nfs/dbraw/zinc/62/50/53/1028625053.db2.gz MIFCZKSEMHCABJ-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)c1cccs1 ZINC000523791564 1028628198 /nfs/dbraw/zinc/62/81/98/1028628198.db2.gz FLUVXHCNBSDZSF-ZBFHGGJFSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)c1cccs1 ZINC000523791564 1028628204 /nfs/dbraw/zinc/62/82/04/1028628204.db2.gz FLUVXHCNBSDZSF-ZBFHGGJFSA-N 1 2 346.521 3.715 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C2CCOCC2)n1 ZINC000343404198 1028699408 /nfs/dbraw/zinc/69/94/08/1028699408.db2.gz QNTJMFWJYPNHIR-KRWDZBQOSA-N 1 2 345.374 3.521 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000245465572 1028719763 /nfs/dbraw/zinc/71/97/63/1028719763.db2.gz ISGQADNYFLVFER-DNVCBOLYSA-N 1 2 349.434 3.925 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000245465572 1028719779 /nfs/dbraw/zinc/71/97/79/1028719779.db2.gz ISGQADNYFLVFER-DNVCBOLYSA-N 1 2 349.434 3.925 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000114116327 1028735234 /nfs/dbraw/zinc/73/52/34/1028735234.db2.gz BYDNHDIJXRLGTM-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000075698515 1028766830 /nfs/dbraw/zinc/76/68/30/1028766830.db2.gz XBLHYBXBDIJBMK-UHFFFAOYSA-N 1 2 335.451 3.832 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000075698515 1028766844 /nfs/dbraw/zinc/76/68/44/1028766844.db2.gz XBLHYBXBDIJBMK-UHFFFAOYSA-N 1 2 335.451 3.832 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245531267 1028772637 /nfs/dbraw/zinc/77/26/37/1028772637.db2.gz GXZVMRWFBXFIKZ-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245531267 1028772649 /nfs/dbraw/zinc/77/26/49/1028772649.db2.gz GXZVMRWFBXFIKZ-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C ZINC000502889628 1028784689 /nfs/dbraw/zinc/78/46/89/1028784689.db2.gz RXNZHJWKBJPIHQ-XJKCOSOUSA-N 1 2 333.476 3.673 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143557684 1028793186 /nfs/dbraw/zinc/79/31/86/1028793186.db2.gz MALFXJIVDQDDTK-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143557684 1028793199 /nfs/dbraw/zinc/79/31/99/1028793199.db2.gz MALFXJIVDQDDTK-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247665256 1028808709 /nfs/dbraw/zinc/80/87/09/1028808709.db2.gz QITWRIQDFIVULH-UHOSZYNNSA-N 1 2 325.456 3.732 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000153857457 1028839831 /nfs/dbraw/zinc/83/98/31/1028839831.db2.gz DFIZCODDWALDGA-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153857457 1028839849 /nfs/dbraw/zinc/83/98/49/1028839849.db2.gz DFIZCODDWALDGA-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccncc1Cl ZINC000421846030 1028868489 /nfs/dbraw/zinc/86/84/89/1028868489.db2.gz YMATXULNSZJAPL-HZSPNIEDSA-N 1 2 346.862 3.917 20 0 EHADLO CCCc1[nH]ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000421891394 1028900391 /nfs/dbraw/zinc/90/03/91/1028900391.db2.gz QDRAHBKQJKBNMQ-OAHLLOKOSA-N 1 2 340.471 3.520 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123420346 1028909661 /nfs/dbraw/zinc/90/96/61/1028909661.db2.gz GELOJBNIZCBFAZ-BXWFABGCSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000524150652 1028916209 /nfs/dbraw/zinc/91/62/09/1028916209.db2.gz SHEMNNZVERQTRC-UHFFFAOYSA-N 1 2 342.443 3.848 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cn1 ZINC000248911085 1028965679 /nfs/dbraw/zinc/96/56/79/1028965679.db2.gz YCEKLYWXWOKXHD-QAPCUYQASA-N 1 2 345.512 3.950 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cn1 ZINC000248911085 1028965697 /nfs/dbraw/zinc/96/56/97/1028965697.db2.gz YCEKLYWXWOKXHD-QAPCUYQASA-N 1 2 345.512 3.950 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nccc(OC)n2)cc1 ZINC000424306537 1028990113 /nfs/dbraw/zinc/99/01/13/1028990113.db2.gz ILWXEDFNANDYCV-OAHLLOKOSA-N 1 2 329.444 3.905 20 0 EHADLO COc1ccc([C@@H](CCC(C)C)[NH2+]Cc2nccc(OC)n2)cc1 ZINC000424308104 1028992585 /nfs/dbraw/zinc/99/25/85/1028992585.db2.gz NUORCHAXRBHKEJ-QGZVFWFLSA-N 1 2 329.444 3.761 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000249831228 1029025707 /nfs/dbraw/zinc/02/57/07/1029025707.db2.gz OKBHMFSXGAQWEY-YJBOKZPZSA-N 1 2 326.440 3.808 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000249831228 1029025724 /nfs/dbraw/zinc/02/57/24/1029025724.db2.gz OKBHMFSXGAQWEY-YJBOKZPZSA-N 1 2 326.440 3.808 20 0 EHADLO COCCC[C@H](Cc1ccccc1)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343079628 1029039377 /nfs/dbraw/zinc/03/93/77/1029039377.db2.gz IKPIIMUINBXTOY-GOSISDBHSA-N 1 2 340.471 3.527 20 0 EHADLO COCCC[C@H](Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343079628 1029039389 /nfs/dbraw/zinc/03/93/89/1029039389.db2.gz IKPIIMUINBXTOY-GOSISDBHSA-N 1 2 340.471 3.527 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(c3ccccc3C)CC2)n1 ZINC000076728415 1029040902 /nfs/dbraw/zinc/04/09/02/1029040902.db2.gz CBYCKULBDJEWRM-OAHLLOKOSA-N 1 2 329.444 3.855 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC=CC1 ZINC000076998572 1029070140 /nfs/dbraw/zinc/07/01/40/1029070140.db2.gz GDEFSVOAEMGELV-INIZCTEOSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC=CC1 ZINC000076998572 1029070156 /nfs/dbraw/zinc/07/01/56/1029070156.db2.gz GDEFSVOAEMGELV-INIZCTEOSA-N 1 2 336.838 3.526 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271706632 1029134006 /nfs/dbraw/zinc/13/40/06/1029134006.db2.gz FRVWFGWWLSLGKE-MRXNPFEDSA-N 1 2 325.456 3.775 20 0 EHADLO O=C(c1ccc(OCC2CCCCC2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000524401167 1029145381 /nfs/dbraw/zinc/14/53/81/1029145381.db2.gz VWWPNWLRFHHAQP-UHFFFAOYSA-N 1 2 339.439 3.539 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524404750 1029150171 /nfs/dbraw/zinc/15/01/71/1029150171.db2.gz RLSWBQXEUMRQAX-DOTOQJQBSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@H](F)C2)C[C@H](C)O1 ZINC000424606280 1029164694 /nfs/dbraw/zinc/16/46/94/1029164694.db2.gz PUUAWSNKGWXASW-HPFXQQBRSA-N 1 2 348.462 3.763 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@H](F)C2)C[C@H](C)O1 ZINC000424606280 1029164704 /nfs/dbraw/zinc/16/47/04/1029164704.db2.gz PUUAWSNKGWXASW-HPFXQQBRSA-N 1 2 348.462 3.763 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475634932 1029165922 /nfs/dbraw/zinc/16/59/22/1029165922.db2.gz LVGBBEMTDOMPKL-ZBFHGGJFSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475634932 1029165929 /nfs/dbraw/zinc/16/59/29/1029165929.db2.gz LVGBBEMTDOMPKL-ZBFHGGJFSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1c(F)cccc1F ZINC000271787830 1029172548 /nfs/dbraw/zinc/17/25/48/1029172548.db2.gz QCKNVGDMUUKFJF-SNVBAGLBSA-N 1 2 337.370 3.540 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(F)cc1C(F)(F)F ZINC000524437329 1029174131 /nfs/dbraw/zinc/17/41/31/1029174131.db2.gz HCQSGIQXKBMCDH-UHFFFAOYSA-N 1 2 344.312 3.643 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)nnn1-c1ccc(Cl)cc1 ZINC000154428807 1029184541 /nfs/dbraw/zinc/18/45/41/1029184541.db2.gz GYOJEINHNFPVIF-LBPRGKRZSA-N 1 2 342.830 3.786 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245733629 1029194698 /nfs/dbraw/zinc/19/46/98/1029194698.db2.gz JZXMKFXIYSKPPG-BXUZGUMPSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245733629 1029194703 /nfs/dbraw/zinc/19/47/03/1029194703.db2.gz JZXMKFXIYSKPPG-BXUZGUMPSA-N 1 2 332.398 3.901 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(C)o1 ZINC000533012738 1029195186 /nfs/dbraw/zinc/19/51/86/1029195186.db2.gz IOHPYDTZALATTL-IBGZPJMESA-N 1 2 336.391 3.649 20 0 EHADLO Clc1cc2[nH]c(=NCCCCn3cc[nH+]c3)oc2c(Cl)c1 ZINC000583197121 1029197903 /nfs/dbraw/zinc/19/79/03/1029197903.db2.gz CLZQBBUDWBTMEA-UHFFFAOYSA-N 1 2 325.199 3.645 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000424653237 1029216385 /nfs/dbraw/zinc/21/63/85/1029216385.db2.gz XNMPBAVDDOIQLP-JTDSTZFVSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1C ZINC000278141684 1029290452 /nfs/dbraw/zinc/29/04/52/1029290452.db2.gz RYRZBXRLNQUMMA-CZUORRHYSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1C ZINC000278141684 1029290468 /nfs/dbraw/zinc/29/04/68/1029290468.db2.gz RYRZBXRLNQUMMA-CZUORRHYSA-N 1 2 347.846 3.933 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(C)o1 ZINC000272138398 1029329015 /nfs/dbraw/zinc/32/90/15/1029329015.db2.gz BJAJXWLQLKBTLK-HNNXBMFYSA-N 1 2 347.846 3.996 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524594778 1029349019 /nfs/dbraw/zinc/34/90/19/1029349019.db2.gz VUIQUVTYHWEYMP-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524594778 1029349028 /nfs/dbraw/zinc/34/90/28/1029349028.db2.gz VUIQUVTYHWEYMP-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO Cc1ccncc1[C@@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000272197485 1029355010 /nfs/dbraw/zinc/35/50/10/1029355010.db2.gz AVXLVJIFOAOYHL-OWCLPIDISA-N 1 2 326.444 3.572 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000272236099 1029375323 /nfs/dbraw/zinc/37/53/23/1029375323.db2.gz FOPKMXGRSVOHEI-UGSOOPFHSA-N 1 2 331.387 3.502 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000272236099 1029375340 /nfs/dbraw/zinc/37/53/40/1029375340.db2.gz FOPKMXGRSVOHEI-UGSOOPFHSA-N 1 2 331.387 3.502 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000272329394 1029418480 /nfs/dbraw/zinc/41/84/80/1029418480.db2.gz VVLFUXDSMXSSNU-UHFFFAOYSA-N 1 2 343.267 3.718 20 0 EHADLO COc1c(O)cccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000272329394 1029418491 /nfs/dbraw/zinc/41/84/91/1029418491.db2.gz VVLFUXDSMXSSNU-UHFFFAOYSA-N 1 2 343.267 3.718 20 0 EHADLO CCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000357957708 1029442055 /nfs/dbraw/zinc/44/20/55/1029442055.db2.gz YMJSGTIBHMQPFS-QGZVFWFLSA-N 1 2 341.455 3.602 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C[N@H+](C)C(C)C)n2)cc1 ZINC000278170687 1029470518 /nfs/dbraw/zinc/47/05/18/1029470518.db2.gz WKGYKZQLIXXOSZ-CQSZACIVSA-N 1 2 344.459 3.605 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C[N@@H+](C)C(C)C)n2)cc1 ZINC000278170687 1029470528 /nfs/dbraw/zinc/47/05/28/1029470528.db2.gz WKGYKZQLIXXOSZ-CQSZACIVSA-N 1 2 344.459 3.605 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505344895 1029472087 /nfs/dbraw/zinc/47/20/87/1029472087.db2.gz NFLNYKQQBSOVIE-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO COCC[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccco1 ZINC000272490512 1029480850 /nfs/dbraw/zinc/48/08/50/1029480850.db2.gz FIYFXNITJTVAMX-CQSZACIVSA-N 1 2 340.217 3.615 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000533221943 1029485498 /nfs/dbraw/zinc/48/54/98/1029485498.db2.gz ZOJFJSFFTWCHSB-AWEZNQCLSA-N 1 2 346.858 3.832 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000533221943 1029485504 /nfs/dbraw/zinc/48/55/04/1029485504.db2.gz ZOJFJSFFTWCHSB-AWEZNQCLSA-N 1 2 346.858 3.832 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000513819453 1029519578 /nfs/dbraw/zinc/51/95/78/1029519578.db2.gz XGFVPKXGGQWVPG-GHXNOFRVSA-N 1 2 326.484 3.814 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccc(C(C)(F)F)cc2)c[nH+]1 ZINC000454990536 1029528873 /nfs/dbraw/zinc/52/88/73/1029528873.db2.gz BLFKQAQXCDLIAM-UHFFFAOYSA-N 1 2 333.382 3.810 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)sc1C ZINC000533251856 1029530401 /nfs/dbraw/zinc/53/04/01/1029530401.db2.gz XODUZYXFWJJLJD-INIZCTEOSA-N 1 2 347.459 3.929 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)sc1C ZINC000533251856 1029530403 /nfs/dbraw/zinc/53/04/03/1029530403.db2.gz XODUZYXFWJJLJD-INIZCTEOSA-N 1 2 347.459 3.929 20 0 EHADLO Cc1ccc(-c2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2C)s1 ZINC000548790808 1029534673 /nfs/dbraw/zinc/53/46/73/1029534673.db2.gz LOOXUBJUNVJMSF-UHFFFAOYSA-N 1 2 332.454 3.783 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1csc(N(C)C3CC3)n1)C2 ZINC000533272009 1029550248 /nfs/dbraw/zinc/55/02/48/1029550248.db2.gz VKPWRJHFVCETDP-UHFFFAOYSA-N 1 2 343.496 3.699 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1csc(N(C)C3CC3)n1)C2 ZINC000533272009 1029550257 /nfs/dbraw/zinc/55/02/57/1029550257.db2.gz VKPWRJHFVCETDP-UHFFFAOYSA-N 1 2 343.496 3.699 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000155585697 1029580025 /nfs/dbraw/zinc/58/00/25/1029580025.db2.gz NQNSTTFBYAQGFA-INIZCTEOSA-N 1 2 347.480 3.977 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000155585697 1029580034 /nfs/dbraw/zinc/58/00/34/1029580034.db2.gz NQNSTTFBYAQGFA-INIZCTEOSA-N 1 2 347.480 3.977 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCCOC3CCSCC3)c21 ZINC000897511960 1029616407 /nfs/dbraw/zinc/61/64/07/1029616407.db2.gz SJLRWUYEXVLZHC-UHFFFAOYSA-N 1 2 346.431 3.574 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150892112 1029618004 /nfs/dbraw/zinc/61/80/04/1029618004.db2.gz ZTLGRJGEYUUKNN-INIZCTEOSA-N 1 2 336.439 3.905 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nc(-c2cccnc2)n1C1CC1 ZINC000728562173 1029620080 /nfs/dbraw/zinc/62/00/80/1029620080.db2.gz HHZDOUYOQGFXMY-INIZCTEOSA-N 1 2 341.484 3.643 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CC2)nc(-c2cccnc2)n1C1CC1 ZINC000728562173 1029620085 /nfs/dbraw/zinc/62/00/85/1029620085.db2.gz HHZDOUYOQGFXMY-INIZCTEOSA-N 1 2 341.484 3.643 20 0 EHADLO Brc1ccsc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000148172009 1029637312 /nfs/dbraw/zinc/63/73/12/1029637312.db2.gz YCBTZXMNJPKQBJ-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO CCC(CC)c1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)on1 ZINC000155795822 1029664593 /nfs/dbraw/zinc/66/45/93/1029664593.db2.gz BLZWIQSKZWJONA-UHFFFAOYSA-N 1 2 338.411 3.694 20 0 EHADLO CC1(C)CCCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000446507983 1029670439 /nfs/dbraw/zinc/67/04/39/1029670439.db2.gz ZQRKKPLTVCGGGJ-UHFFFAOYSA-N 1 2 344.434 3.733 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000446527952 1029672672 /nfs/dbraw/zinc/67/26/72/1029672672.db2.gz DTAAGUIHNALGBG-JOCHJYFZSA-N 1 2 345.446 3.985 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000114704505 1029689278 /nfs/dbraw/zinc/68/92/78/1029689278.db2.gz PITMAEKWTIIOCE-SQNIBIBYSA-N 1 2 329.488 3.503 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155996291 1029719837 /nfs/dbraw/zinc/71/98/37/1029719837.db2.gz BFLDRAJIYQROPP-UXHICEINSA-N 1 2 345.446 3.546 20 0 EHADLO C[C@@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCc2ccccc2C1 ZINC000525240866 1029762829 /nfs/dbraw/zinc/76/28/29/1029762829.db2.gz IWLJTXUOZNQALY-JOCHJYFZSA-N 1 2 345.446 3.684 20 0 EHADLO Cc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1C(F)(F)F ZINC001211579318 1029773157 /nfs/dbraw/zinc/77/31/57/1029773157.db2.gz AIJWUMKMSDCZSQ-SNVBAGLBSA-N 1 2 347.287 3.776 20 0 EHADLO CCCCOc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211580096 1029800044 /nfs/dbraw/zinc/80/00/44/1029800044.db2.gz MNFSTRRBLUIGOM-CQSZACIVSA-N 1 2 337.370 3.628 20 0 EHADLO C[N@@H+]1CCN(C(=O)[C@H]2SCCc3sccc32)c2ccccc2C1 ZINC000080029325 1029812991 /nfs/dbraw/zinc/81/29/91/1029812991.db2.gz PNKQEMGEZGKTAT-KRWDZBQOSA-N 1 2 344.505 3.557 20 0 EHADLO C[N@H+]1CCN(C(=O)[C@H]2SCCc3sccc32)c2ccccc2C1 ZINC000080029325 1029812997 /nfs/dbraw/zinc/81/29/97/1029812997.db2.gz PNKQEMGEZGKTAT-KRWDZBQOSA-N 1 2 344.505 3.557 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000583435076 1029818623 /nfs/dbraw/zinc/81/86/23/1029818623.db2.gz HSDJSVUQIHXMCQ-UHFFFAOYSA-N 1 2 329.444 3.960 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000127170995 1029844120 /nfs/dbraw/zinc/84/41/20/1029844120.db2.gz SUXWGXIXCDPQIN-CYBMUJFWSA-N 1 2 339.468 3.794 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000127170995 1029844125 /nfs/dbraw/zinc/84/41/25/1029844125.db2.gz SUXWGXIXCDPQIN-CYBMUJFWSA-N 1 2 339.468 3.794 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000127209655 1029848945 /nfs/dbraw/zinc/84/89/45/1029848945.db2.gz DXCWYQNJRRTHOZ-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc(C(F)(F)F)s1 ZINC000446966924 1029868742 /nfs/dbraw/zinc/86/87/42/1029868742.db2.gz PLDBAFAYQQSOEL-UHFFFAOYSA-N 1 2 344.337 3.705 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000448770109 1029888402 /nfs/dbraw/zinc/88/84/02/1029888402.db2.gz KQECIBJCOBBNNE-UHFFFAOYSA-N 1 2 331.432 3.749 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CCO1 ZINC000453193119 1029892155 /nfs/dbraw/zinc/89/21/55/1029892155.db2.gz DPRYWOFRMOHXMC-NEWSRXKRSA-N 1 2 346.450 3.607 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CCO1 ZINC000453193119 1029892162 /nfs/dbraw/zinc/89/21/62/1029892162.db2.gz DPRYWOFRMOHXMC-NEWSRXKRSA-N 1 2 346.450 3.607 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC34CCCC4)n2)C1 ZINC000428686016 1029898630 /nfs/dbraw/zinc/89/86/30/1029898630.db2.gz APVXQPAZCJFUSR-UKRRQHHQSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC34CCCC4)n2)C1 ZINC000428686016 1029898637 /nfs/dbraw/zinc/89/86/37/1029898637.db2.gz APVXQPAZCJFUSR-UKRRQHHQSA-N 1 2 348.516 3.829 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455775173 1029926262 /nfs/dbraw/zinc/92/62/62/1029926262.db2.gz RGNHXZLRAHZHOL-UHFFFAOYSA-N 1 2 334.370 3.933 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455775173 1029926276 /nfs/dbraw/zinc/92/62/76/1029926276.db2.gz RGNHXZLRAHZHOL-UHFFFAOYSA-N 1 2 334.370 3.933 20 0 EHADLO Cc1cccc(C)c1NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000089506560 1029932716 /nfs/dbraw/zinc/93/27/16/1029932716.db2.gz KAQUJGRNHFQWKE-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000525617316 1029969858 /nfs/dbraw/zinc/96/98/58/1029969858.db2.gz FYBIHMVDDNHYOJ-UHFFFAOYSA-N 1 2 329.787 3.784 20 0 EHADLO CC(=O)c1ccc(Cl)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000531890293 1029989406 /nfs/dbraw/zinc/98/94/06/1029989406.db2.gz JWTUDHUEWCPZNT-UHFFFAOYSA-N 1 2 341.798 3.680 20 0 EHADLO Cc1cnc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)s1 ZINC000481827137 1030004305 /nfs/dbraw/zinc/00/43/05/1030004305.db2.gz WZXUSOCDXVRKGI-KKUMJFAQSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1cnc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)s1 ZINC000481827137 1030004326 /nfs/dbraw/zinc/00/43/26/1030004326.db2.gz WZXUSOCDXVRKGI-KKUMJFAQSA-N 1 2 336.501 3.926 20 0 EHADLO CSc1cccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000360935253 1030015071 /nfs/dbraw/zinc/01/50/71/1030015071.db2.gz FZXLDEWKKYXJGM-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO CC(C)c1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)ncn1 ZINC000481843136 1030033318 /nfs/dbraw/zinc/03/33/18/1030033318.db2.gz SUDDSPKRPBBDLE-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc(OC)c1 ZINC000453298882 1030048705 /nfs/dbraw/zinc/04/87/05/1030048705.db2.gz JSFKTXQGBJOQMT-AWEZNQCLSA-N 1 2 325.334 3.745 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1OCC ZINC000453330532 1030061469 /nfs/dbraw/zinc/06/14/69/1030061469.db2.gz XCVSBDOFRADHRT-GFCCVEGCSA-N 1 2 337.851 3.722 20 0 EHADLO O=C(C[C@H]1C=CCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343279078 1030068745 /nfs/dbraw/zinc/06/87/45/1030068745.db2.gz IQFPJNCJDZJDJA-INIZCTEOSA-N 1 2 349.438 3.618 20 0 EHADLO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ncc(C(F)(F)F)cn2)C1 ZINC000453303665 1030069516 /nfs/dbraw/zinc/06/95/16/1030069516.db2.gz NNGPCFZGAVHBTN-LBPRGKRZSA-N 1 2 325.334 3.892 20 0 EHADLO O=C(NCC1(C2CC2)CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361136390 1030070752 /nfs/dbraw/zinc/07/07/52/1030070752.db2.gz PVPMYBSDJMHSGO-UHFFFAOYSA-N 1 2 344.503 3.665 20 0 EHADLO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343281459 1030080101 /nfs/dbraw/zinc/08/01/01/1030080101.db2.gz DHFGQQYRVGWEGI-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO C[C@H](C[N@H+](C)Cc1c(F)cncc1Br)c1nccs1 ZINC000667974574 1030102663 /nfs/dbraw/zinc/10/26/63/1030102663.db2.gz XNXZCEPXAZKKLO-SECBINFHSA-N 1 2 344.253 3.675 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1c(F)cncc1Br)c1nccs1 ZINC000667974574 1030102670 /nfs/dbraw/zinc/10/26/70/1030102670.db2.gz XNXZCEPXAZKKLO-SECBINFHSA-N 1 2 344.253 3.675 20 0 EHADLO C[C@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2sccc21 ZINC000453322503 1030102685 /nfs/dbraw/zinc/10/26/85/1030102685.db2.gz PALBMJHXVQIFQN-JOYOIKCWSA-N 1 2 340.290 3.972 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)s1 ZINC000525782630 1030117479 /nfs/dbraw/zinc/11/74/79/1030117479.db2.gz KJSWAFOJNXJTIQ-SFHVURJKSA-N 1 2 346.471 3.903 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)s1 ZINC000525782630 1030117488 /nfs/dbraw/zinc/11/74/88/1030117488.db2.gz KJSWAFOJNXJTIQ-SFHVURJKSA-N 1 2 346.471 3.903 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453351765 1030142992 /nfs/dbraw/zinc/14/29/92/1030142992.db2.gz FLNITTPTVSMIPU-ZDUSSCGKSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000525826242 1030149784 /nfs/dbraw/zinc/14/97/84/1030149784.db2.gz ZHIMIOPXGUYFHI-ZBFHGGJFSA-N 1 2 335.407 3.827 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nnc(-c2cccs2)o1 ZINC000525834315 1030158834 /nfs/dbraw/zinc/15/88/34/1030158834.db2.gz ZMXCEDRDRGARIN-XHDPSFHLSA-N 1 2 326.425 3.995 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2ccccc2NC1=O ZINC000525834287 1030159772 /nfs/dbraw/zinc/15/97/72/1030159772.db2.gz UZDMKAPLLGRSEN-MRXNPFEDSA-N 1 2 346.434 3.526 20 0 EHADLO c1cn(-c2ccc(-c3nc(-c4ccc5c(c4)CCO5)no3)cc2)c[nH+]1 ZINC000178927624 1030210331 /nfs/dbraw/zinc/21/03/31/1030210331.db2.gz JNGZXJSSSZPBRQ-UHFFFAOYSA-N 1 2 330.347 3.524 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)c2cn(C)nc2C)c2ccco2)cc1 ZINC000453406758 1030214965 /nfs/dbraw/zinc/21/49/65/1030214965.db2.gz PLFWXWZMDWNXBP-DJJJIMSYSA-N 1 2 325.412 3.770 20 0 EHADLO CC1(C)CC(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000550809094 1030221894 /nfs/dbraw/zinc/22/18/94/1030221894.db2.gz BGWMDOIINNSOTN-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161479 1030232726 /nfs/dbraw/zinc/23/27/26/1030232726.db2.gz ZDEVNPIJFLRISG-SJORKVTESA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161479 1030232734 /nfs/dbraw/zinc/23/27/34/1030232734.db2.gz ZDEVNPIJFLRISG-SJORKVTESA-N 1 2 349.837 3.681 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1CCC1CCCC1 ZINC000532010507 1030233495 /nfs/dbraw/zinc/23/34/95/1030233495.db2.gz SIGFYMJNFNXYDZ-SFHVURJKSA-N 1 2 332.492 3.808 20 0 EHADLO CCSCc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000583608469 1030273389 /nfs/dbraw/zinc/27/33/89/1030273389.db2.gz WDRVWQDCXCDMDT-UHFFFAOYSA-N 1 2 332.473 3.738 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1cc(Cl)ccc1F ZINC000138869938 1030287044 /nfs/dbraw/zinc/28/70/44/1030287044.db2.gz CMWKRFIHYUTCTF-KRWDZBQOSA-N 1 2 348.805 3.960 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1cc(Cl)ccc1F ZINC000138869938 1030287058 /nfs/dbraw/zinc/28/70/58/1030287058.db2.gz CMWKRFIHYUTCTF-KRWDZBQOSA-N 1 2 348.805 3.960 20 0 EHADLO COc1ccccc1[C@@H](CNc1cccc[nH+]1)NC(=O)OC(C)(C)C ZINC000052468564 1030291863 /nfs/dbraw/zinc/29/18/63/1030291863.db2.gz SMEUIWVGHKCMKJ-OAHLLOKOSA-N 1 2 343.427 3.768 20 0 EHADLO Cc1c2cccc(C)c2oc1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000650731438 1030304409 /nfs/dbraw/zinc/30/44/09/1030304409.db2.gz YADFXBUBRAFPMJ-AWEZNQCLSA-N 1 2 325.412 3.856 20 0 EHADLO CCc1[nH]nc(Cl)c1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000892346680 1030306624 /nfs/dbraw/zinc/30/66/24/1030306624.db2.gz IUDVHEXVSRRYHR-UHFFFAOYSA-N 1 2 345.834 3.513 20 0 EHADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000091815036 1030313381 /nfs/dbraw/zinc/31/33/81/1030313381.db2.gz OSNPIQWAVUZOBD-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@@H]1COCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000091815036 1030313401 /nfs/dbraw/zinc/31/34/01/1030313401.db2.gz OSNPIQWAVUZOBD-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000453577912 1030368826 /nfs/dbraw/zinc/36/88/26/1030368826.db2.gz YCGSSNCAJTZKBD-SSDOTTSWSA-N 1 2 332.292 3.830 20 0 EHADLO Cc1cccnc1OC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000429725543 1030384520 /nfs/dbraw/zinc/38/45/20/1030384520.db2.gz SMNVARISBFUWDD-UHFFFAOYSA-N 1 2 348.450 3.619 20 0 EHADLO C[C@H](CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343343239 1030409435 /nfs/dbraw/zinc/40/94/35/1030409435.db2.gz XRVAHEIWYQORPT-MRXNPFEDSA-N 1 2 334.423 3.849 20 0 EHADLO Cc1cc(N2C[C@@H](O)C(C)(C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000447816881 1030494020 /nfs/dbraw/zinc/49/40/20/1030494020.db2.gz NDGPXUALKAHZJR-CQSZACIVSA-N 1 2 340.345 3.649 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000668064722 1030504747 /nfs/dbraw/zinc/50/47/47/1030504747.db2.gz VQPRPRZXHLIEQN-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000668064722 1030504754 /nfs/dbraw/zinc/50/47/54/1030504754.db2.gz VQPRPRZXHLIEQN-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000052525703 1030508687 /nfs/dbraw/zinc/50/86/87/1030508687.db2.gz MJQKIUFFEAUFFT-UHFFFAOYSA-N 1 2 331.510 3.571 20 0 EHADLO CSc1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000157433942 1030532806 /nfs/dbraw/zinc/53/28/06/1030532806.db2.gz ZETBUUTWGNGTCB-OAHLLOKOSA-N 1 2 342.468 3.594 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000129738040 1030540598 /nfs/dbraw/zinc/54/05/98/1030540598.db2.gz POJNKVKBADTKBW-IBGZPJMESA-N 1 2 334.423 3.550 20 0 EHADLO Fc1ccccc1-c1csc(C[NH2+]Cc2ccnn2CC2CC2)n1 ZINC000668082173 1030559501 /nfs/dbraw/zinc/55/95/01/1030559501.db2.gz JKYMOXQFUYHAAT-UHFFFAOYSA-N 1 2 342.443 3.846 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCc4ccc(F)cc43)[nH+]c12 ZINC000527016201 1030568368 /nfs/dbraw/zinc/56/83/68/1030568368.db2.gz AXIYBOHBERZPRM-GOSISDBHSA-N 1 2 337.398 3.518 20 0 EHADLO COc1ccccc1CN(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060529179 1030571382 /nfs/dbraw/zinc/57/13/82/1030571382.db2.gz GVZUYLNQXLLDJC-FMIVXFBMSA-N 1 2 347.418 3.553 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000066438049 1030576601 /nfs/dbraw/zinc/57/66/01/1030576601.db2.gz HDXKWRJKONIEOW-QGZVFWFLSA-N 1 2 342.405 3.918 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000066438049 1030576608 /nfs/dbraw/zinc/57/66/08/1030576608.db2.gz HDXKWRJKONIEOW-QGZVFWFLSA-N 1 2 342.405 3.918 20 0 EHADLO CCSc1ccccc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157522385 1030598461 /nfs/dbraw/zinc/59/84/61/1030598461.db2.gz IJYCDTAALABNRV-CQSZACIVSA-N 1 2 330.501 3.967 20 0 EHADLO c1ccc(CSCCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000193898508 1030617467 /nfs/dbraw/zinc/61/74/67/1030617467.db2.gz CQXVFEPAKSKACT-UHFFFAOYSA-N 1 2 342.508 3.864 20 0 EHADLO C[C@H]1CCc2sc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2C1 ZINC000024152210 1030633044 /nfs/dbraw/zinc/63/30/44/1030633044.db2.gz RXTYJPCWGHZELO-JTQLQIEISA-N 1 2 347.509 3.570 20 0 EHADLO C[C@H]1CCc2sc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2C1 ZINC000024152210 1030633053 /nfs/dbraw/zinc/63/30/53/1030633053.db2.gz RXTYJPCWGHZELO-JTQLQIEISA-N 1 2 347.509 3.570 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000130114034 1030653746 /nfs/dbraw/zinc/65/37/46/1030653746.db2.gz AYIGVLITLVAAOM-QGZVFWFLSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000130114034 1030653755 /nfs/dbraw/zinc/65/37/55/1030653755.db2.gz AYIGVLITLVAAOM-QGZVFWFLSA-N 1 2 338.411 3.723 20 0 EHADLO CC1(C)CN(C(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000482704559 1030655102 /nfs/dbraw/zinc/65/51/02/1030655102.db2.gz FKNFJKFUWZXOKE-MRXNPFEDSA-N 1 2 344.484 3.738 20 0 EHADLO CSc1ccccc1CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000527150686 1030675353 /nfs/dbraw/zinc/67/53/53/1030675353.db2.gz XAEQXPOYIQZNJH-UHFFFAOYSA-N 1 2 339.464 3.566 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935080635 1030681369 /nfs/dbraw/zinc/68/13/69/1030681369.db2.gz IRJOMQAKEGJQAO-HALQFCHDSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935080635 1030681375 /nfs/dbraw/zinc/68/13/75/1030681375.db2.gz IRJOMQAKEGJQAO-HALQFCHDSA-N 1 2 336.838 3.531 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000157625177 1030685430 /nfs/dbraw/zinc/68/54/30/1030685430.db2.gz QLYNNAHQUNDPGR-INIZCTEOSA-N 1 2 337.398 3.568 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000157625177 1030685444 /nfs/dbraw/zinc/68/54/44/1030685444.db2.gz QLYNNAHQUNDPGR-INIZCTEOSA-N 1 2 337.398 3.568 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555748 1030689821 /nfs/dbraw/zinc/68/98/21/1030689821.db2.gz IOMJYRXCNSQPBX-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555748 1030689826 /nfs/dbraw/zinc/68/98/26/1030689826.db2.gz IOMJYRXCNSQPBX-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO NC(=O)c1csc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000093898452 1030695263 /nfs/dbraw/zinc/69/52/63/1030695263.db2.gz XGWFCYDLTFVMNG-UHFFFAOYSA-N 1 2 338.432 3.665 20 0 EHADLO NC(=O)c1csc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000093898452 1030695271 /nfs/dbraw/zinc/69/52/71/1030695271.db2.gz XGWFCYDLTFVMNG-UHFFFAOYSA-N 1 2 338.432 3.665 20 0 EHADLO O=C(Nc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000170692376 1030697998 /nfs/dbraw/zinc/69/79/98/1030697998.db2.gz OYJYHBFPUMZRSE-RBUKOAKNSA-N 1 2 332.407 3.933 20 0 EHADLO CCc1nc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)sc1C ZINC000527236504 1030728773 /nfs/dbraw/zinc/72/87/73/1030728773.db2.gz HWGJKGPACRHESO-LLVKDONJSA-N 1 2 332.473 3.604 20 0 EHADLO CCc1nc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)sc1C ZINC000527236504 1030728790 /nfs/dbraw/zinc/72/87/90/1030728790.db2.gz HWGJKGPACRHESO-LLVKDONJSA-N 1 2 332.473 3.604 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000476642545 1030761040 /nfs/dbraw/zinc/76/10/40/1030761040.db2.gz WYGWWGFIRSMREF-MRXNPFEDSA-N 1 2 349.478 3.872 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000476642545 1030761058 /nfs/dbraw/zinc/76/10/58/1030761058.db2.gz WYGWWGFIRSMREF-MRXNPFEDSA-N 1 2 349.478 3.872 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(-c2c(F)cccc2F)s1)c1nccn1C ZINC000657794615 1030763474 /nfs/dbraw/zinc/76/34/74/1030763474.db2.gz YJDNDYUNRZAITF-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000171566914 1030797020 /nfs/dbraw/zinc/79/70/20/1030797020.db2.gz QCKNSSAPJHWRNZ-UHFFFAOYSA-N 1 2 331.419 3.529 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000115159829 1030826178 /nfs/dbraw/zinc/82/61/78/1030826178.db2.gz MKOMSSOWQNUJTL-UHFFFAOYSA-N 1 2 346.434 3.684 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000508624552 1030832794 /nfs/dbraw/zinc/83/27/94/1030832794.db2.gz FLYWYUDMOGYTBF-BXWFABGCSA-N 1 2 348.487 3.546 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000448224641 1030847330 /nfs/dbraw/zinc/84/73/30/1030847330.db2.gz SNQCEMWUXJYMTD-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000448224641 1030847339 /nfs/dbraw/zinc/84/73/39/1030847339.db2.gz SNQCEMWUXJYMTD-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(c3cccc(OC)c3)CC2)n1 ZINC000172320846 1030882355 /nfs/dbraw/zinc/88/23/55/1030882355.db2.gz PUOYMFIGRWLCMB-AWEZNQCLSA-N 1 2 345.443 3.555 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2=O)cs1 ZINC000115600095 1030886140 /nfs/dbraw/zinc/88/61/40/1030886140.db2.gz XOKDDCLKRDITEX-WFASDCNBSA-N 1 2 347.459 3.691 20 0 EHADLO c1nnc([C@@H]([NH2+]CCc2ccc3ccccc3c2)c2ccccc2)[nH]1 ZINC000527378118 1030887755 /nfs/dbraw/zinc/88/77/55/1030887755.db2.gz QBJXCIZYWOHRRV-FQEVSTJZSA-N 1 2 328.419 3.880 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000131000677 1030930981 /nfs/dbraw/zinc/93/09/81/1030930981.db2.gz POKQEFMAUSJFEY-WBVHZDCISA-N 1 2 330.472 3.592 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCN(C)c2ccccc2)o1 ZINC000131136648 1030966777 /nfs/dbraw/zinc/96/67/77/1030966777.db2.gz MWQAKZXTJSPLLD-FQEVSTJZSA-N 1 2 348.450 3.614 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCN(C)c2ccccc2)o1 ZINC000131136648 1030966786 /nfs/dbraw/zinc/96/67/86/1030966786.db2.gz MWQAKZXTJSPLLD-FQEVSTJZSA-N 1 2 348.450 3.614 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000448359460 1030982455 /nfs/dbraw/zinc/98/24/55/1030982455.db2.gz MNCQLMCCWNBYNN-AWEZNQCLSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000448359460 1030982469 /nfs/dbraw/zinc/98/24/69/1030982469.db2.gz MNCQLMCCWNBYNN-AWEZNQCLSA-N 1 2 339.863 3.509 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483127961 1030988644 /nfs/dbraw/zinc/98/86/44/1030988644.db2.gz OMBJBLPRAICVMG-UHFFFAOYSA-N 1 2 332.879 3.967 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000131257036 1030995907 /nfs/dbraw/zinc/99/59/07/1030995907.db2.gz DAROLAWANANPJS-WFASDCNBSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000527540170 1030997615 /nfs/dbraw/zinc/99/76/15/1030997615.db2.gz UTLIGTJQFIOBQN-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000527540170 1030997632 /nfs/dbraw/zinc/99/76/32/1030997632.db2.gz UTLIGTJQFIOBQN-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO O=C(CCSCc1ccccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000098129765 1031012356 /nfs/dbraw/zinc/01/23/56/1031012356.db2.gz ZHVULRLMMUVBRN-UHFFFAOYSA-N 1 2 338.436 3.529 20 0 EHADLO CN(C)c1ccccc1C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483247526 1031056648 /nfs/dbraw/zinc/05/66/48/1031056648.db2.gz BLVVVNMRAZIQTL-OAHLLOKOSA-N 1 2 339.266 3.883 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1Cl ZINC000527636090 1031064188 /nfs/dbraw/zinc/06/41/88/1031064188.db2.gz LNNYRDBDUVTDSX-UHFFFAOYSA-N 1 2 337.801 3.903 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000173554809 1031111075 /nfs/dbraw/zinc/11/10/75/1031111075.db2.gz LJXNBIJCQDJOOL-IBGZPJMESA-N 1 2 333.435 3.966 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccc(F)cc3Br)cn2c1 ZINC000551205077 1031126910 /nfs/dbraw/zinc/12/69/10/1031126910.db2.gz DUJZURDXVZLOSR-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000483370132 1031133758 /nfs/dbraw/zinc/13/37/58/1031133758.db2.gz BPDZWPMVGZQERM-SQNIBIBYSA-N 1 2 348.535 3.939 20 0 EHADLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2ccc(C)cc2[nH]1 ZINC000668251002 1031189332 /nfs/dbraw/zinc/18/93/32/1031189332.db2.gz LFKBZQAGRDIXCT-OAQYLSRUSA-N 1 2 347.462 3.539 20 0 EHADLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2ccc(C)cc2[nH]1 ZINC000668251002 1031189339 /nfs/dbraw/zinc/18/93/39/1031189339.db2.gz LFKBZQAGRDIXCT-OAQYLSRUSA-N 1 2 347.462 3.539 20 0 EHADLO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c1 ZINC000469090309 1031193476 /nfs/dbraw/zinc/19/34/76/1031193476.db2.gz WEZRAODKSMZYFJ-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO CCn1c(C[N@H+](CCOC)Cc2ccccc2)nc2c1cccc2F ZINC000343515219 1031197247 /nfs/dbraw/zinc/19/72/47/1031197247.db2.gz JUJUKKDDXXJNBJ-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO CCn1c(C[N@@H+](CCOC)Cc2ccccc2)nc2c1cccc2F ZINC000343515219 1031197248 /nfs/dbraw/zinc/19/72/48/1031197248.db2.gz JUJUKKDDXXJNBJ-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cnn2C)c(OC2CCCC2)c1 ZINC000131966831 1031200228 /nfs/dbraw/zinc/20/02/28/1031200228.db2.gz MAUIXSGAIWSUHB-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063121 1031229070 /nfs/dbraw/zinc/22/90/70/1031229070.db2.gz CXLJTILFZGNCLK-NWDGAFQWSA-N 1 2 349.397 3.590 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063121 1031229086 /nfs/dbraw/zinc/22/90/86/1031229086.db2.gz CXLJTILFZGNCLK-NWDGAFQWSA-N 1 2 349.397 3.590 20 0 EHADLO CC(C)(C)c1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)no1 ZINC000375743020 1031239611 /nfs/dbraw/zinc/23/96/11/1031239611.db2.gz NLCCUKYXNIMVKE-QGZVFWFLSA-N 1 2 336.476 3.522 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)oc1C ZINC000343527663 1031267988 /nfs/dbraw/zinc/26/79/88/1031267988.db2.gz LIOLUHZUOIGWOW-GOSISDBHSA-N 1 2 345.874 3.750 20 0 EHADLO COCCOc1c(F)cccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091922 1031283891 /nfs/dbraw/zinc/28/38/91/1031283891.db2.gz RRDPGYIDWPESEJ-UHFFFAOYSA-N 1 2 327.359 3.985 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448590561 1031289187 /nfs/dbraw/zinc/28/91/87/1031289187.db2.gz CYWSKUHSFCGMNG-IEBWSBKVSA-N 1 2 330.472 3.674 20 0 EHADLO c1csc([C@@H](CNc2nccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000527830592 1031296174 /nfs/dbraw/zinc/29/61/74/1031296174.db2.gz JTTXEUOBJURFCL-QGZVFWFLSA-N 1 2 339.464 3.782 20 0 EHADLO COc1ccc[nH+]c1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000527853492 1031324539 /nfs/dbraw/zinc/32/45/39/1031324539.db2.gz PLIMJTJZKOCUBF-UHFFFAOYSA-N 1 2 325.412 3.831 20 0 EHADLO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865430 1031360932 /nfs/dbraw/zinc/36/09/32/1031360932.db2.gz VJRHGKMDCGEWEI-LSDHHAIUSA-N 1 2 347.484 3.877 20 0 EHADLO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865430 1031360937 /nfs/dbraw/zinc/36/09/37/1031360937.db2.gz VJRHGKMDCGEWEI-LSDHHAIUSA-N 1 2 347.484 3.877 20 0 EHADLO CCn1c(C[N@H+](C)Cc2cccc(OC)c2)nc2c1cccc2F ZINC000343561017 1031389272 /nfs/dbraw/zinc/38/92/72/1031389272.db2.gz RNOQTGJQHNMEFN-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2cccc(OC)c2)nc2c1cccc2F ZINC000343561017 1031389287 /nfs/dbraw/zinc/38/92/87/1031389287.db2.gz RNOQTGJQHNMEFN-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1nccc(C(F)F)n1)CC2 ZINC000527899961 1031400426 /nfs/dbraw/zinc/40/04/26/1031400426.db2.gz MWHVHJKJMLAJBZ-LBPRGKRZSA-N 1 2 327.737 3.984 20 0 EHADLO Cc1nnsc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527900660 1031421334 /nfs/dbraw/zinc/42/13/34/1031421334.db2.gz HWSLXERPEOSQEM-ZCFIWIBFSA-N 1 2 348.216 3.738 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000102407392 1031423750 /nfs/dbraw/zinc/42/37/50/1031423750.db2.gz BEWGOLXVFMPBND-ZDUSSCGKSA-N 1 2 336.382 3.599 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccoc1 ZINC000102407392 1031423760 /nfs/dbraw/zinc/42/37/60/1031423760.db2.gz BEWGOLXVFMPBND-ZDUSSCGKSA-N 1 2 336.382 3.599 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000520957132 1031434869 /nfs/dbraw/zinc/43/48/69/1031434869.db2.gz RPIXPGPPIRPCRS-INIZCTEOSA-N 1 2 336.439 3.905 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2ccc3ccccc3c2OC(F)F)n1 ZINC000527919159 1031455441 /nfs/dbraw/zinc/45/54/41/1031455441.db2.gz BSRUMTBZWNGJIV-LBPRGKRZSA-N 1 2 346.381 3.903 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cs1 ZINC000527939367 1031462951 /nfs/dbraw/zinc/46/29/51/1031462951.db2.gz OFJOWKXQRAZOKO-JQWIXIFHSA-N 1 2 332.395 3.917 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1cccc(O)c1)CC1CC1 ZINC000176620415 1031468127 /nfs/dbraw/zinc/46/81/27/1031468127.db2.gz FCAJSORQMQUVDK-UHFFFAOYSA-N 1 2 347.418 3.630 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C(C)C)s1)CCS2 ZINC000343580302 1031484524 /nfs/dbraw/zinc/48/45/24/1031484524.db2.gz WBAXOZACOPBUHD-CYBMUJFWSA-N 1 2 335.498 3.997 20 0 EHADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000176881236 1031499646 /nfs/dbraw/zinc/49/96/46/1031499646.db2.gz WYWRRPJJMDCRGB-HNNXBMFYSA-N 1 2 344.484 3.563 20 0 EHADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000176881236 1031499657 /nfs/dbraw/zinc/49/96/57/1031499657.db2.gz WYWRRPJJMDCRGB-HNNXBMFYSA-N 1 2 344.484 3.563 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1C ZINC000347417963 1031507766 /nfs/dbraw/zinc/50/77/66/1031507766.db2.gz ALPOUYYIXPEIRG-AWEZNQCLSA-N 1 2 331.847 3.710 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000177381814 1031535958 /nfs/dbraw/zinc/53/59/58/1031535958.db2.gz OMMBEOIXWICQRM-UHFFFAOYSA-N 1 2 342.443 3.720 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177547932 1031551870 /nfs/dbraw/zinc/55/18/70/1031551870.db2.gz MWPDDQNIUHHNFF-AEFFLSMTSA-N 1 2 325.456 3.579 20 0 EHADLO CCc1cc(OCC(=O)NCc2ccccc2F)c2ccccc2[nH+]1 ZINC000551683836 1031555659 /nfs/dbraw/zinc/55/56/59/1031555659.db2.gz UAUNIJNVOWJHCC-UHFFFAOYSA-N 1 2 338.382 3.632 20 0 EHADLO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000527999622 1031560175 /nfs/dbraw/zinc/56/01/75/1031560175.db2.gz BRICHJVIMDMEJJ-QZTJIDSGSA-N 1 2 344.405 3.669 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737246 1031564072 /nfs/dbraw/zinc/56/40/72/1031564072.db2.gz UOOWKAPASXRYHA-CABCVRRESA-N 1 2 339.505 3.517 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737246 1031564085 /nfs/dbraw/zinc/56/40/85/1031564085.db2.gz UOOWKAPASXRYHA-CABCVRRESA-N 1 2 339.505 3.517 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000177799727 1031568684 /nfs/dbraw/zinc/56/86/84/1031568684.db2.gz BEHXKJYUHQFGGW-MOEXGYKKSA-N 1 2 329.831 3.549 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551710814 1031594104 /nfs/dbraw/zinc/59/41/04/1031594104.db2.gz CBDWHMYPSFQFIF-UHFFFAOYSA-N 1 2 344.377 3.688 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2ccc3nc(C(F)F)sc3c2)C1 ZINC000584061978 1031612100 /nfs/dbraw/zinc/61/21/00/1031612100.db2.gz APLMINTVNCRUCS-UHFFFAOYSA-N 1 2 325.384 3.514 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)n2)CC1 ZINC000448769512 1031656335 /nfs/dbraw/zinc/65/63/35/1031656335.db2.gz IJGFWSZJMRVWKP-OFQRWUPVSA-N 1 2 333.501 3.750 20 0 EHADLO Cc1csc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000448773198 1031661937 /nfs/dbraw/zinc/66/19/37/1031661937.db2.gz WQXULXOETOVOSH-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1csc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000448773198 1031661939 /nfs/dbraw/zinc/66/19/39/1031661939.db2.gz WQXULXOETOVOSH-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO CCN(CC)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cn1 ZINC000278616799 1031667137 /nfs/dbraw/zinc/66/71/37/1031667137.db2.gz JKIBONJEVPYHJC-UHFFFAOYSA-N 1 2 344.406 3.693 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000484495318 1031670389 /nfs/dbraw/zinc/67/03/89/1031670389.db2.gz AWTBPXYBRRHHKC-HNNXBMFYSA-N 1 2 336.439 3.744 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536139 1031686619 /nfs/dbraw/zinc/68/66/19/1031686619.db2.gz GEWMRJDJGXAAQT-PMACEKPBSA-N 1 2 345.483 3.648 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536139 1031686629 /nfs/dbraw/zinc/68/66/29/1031686629.db2.gz GEWMRJDJGXAAQT-PMACEKPBSA-N 1 2 345.483 3.648 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](CCOc3ccccc3OC)CCO2)cc1 ZINC000484554742 1031717468 /nfs/dbraw/zinc/71/74/68/1031717468.db2.gz CBIGRBVEIIMDIL-NRFANRHFSA-N 1 2 341.451 3.710 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](CCOc3ccccc3OC)CCO2)cc1 ZINC000484554742 1031717486 /nfs/dbraw/zinc/71/74/86/1031717486.db2.gz CBIGRBVEIIMDIL-NRFANRHFSA-N 1 2 341.451 3.710 20 0 EHADLO FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000179093427 1031733081 /nfs/dbraw/zinc/73/30/81/1031733081.db2.gz KKEXVGLBRSOXFW-SECBINFHSA-N 1 2 333.404 3.998 20 0 EHADLO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000179093427 1031733095 /nfs/dbraw/zinc/73/30/95/1031733095.db2.gz KKEXVGLBRSOXFW-SECBINFHSA-N 1 2 333.404 3.998 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000448836753 1031748202 /nfs/dbraw/zinc/74/82/02/1031748202.db2.gz QINLVRNOVDLDBY-UHFFFAOYSA-N 1 2 337.345 3.688 20 0 EHADLO O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117585982 1031758896 /nfs/dbraw/zinc/75/88/96/1031758896.db2.gz MKIHYEAAEHOGJJ-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117656953 1031790067 /nfs/dbraw/zinc/79/00/67/1031790067.db2.gz IFRSHDSKQKFLNH-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCO1 ZINC000179666172 1031798503 /nfs/dbraw/zinc/79/85/03/1031798503.db2.gz DRGUPQIEWISZQE-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCO1 ZINC000179666172 1031798515 /nfs/dbraw/zinc/79/85/15/1031798515.db2.gz DRGUPQIEWISZQE-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccsc3C(F)(F)F)n2)C1 ZINC000528154416 1031807502 /nfs/dbraw/zinc/80/75/02/1031807502.db2.gz GJKGMTGFJQONEW-JTQLQIEISA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccsc3C(F)(F)F)n2)C1 ZINC000528154416 1031807515 /nfs/dbraw/zinc/80/75/15/1031807515.db2.gz GJKGMTGFJQONEW-JTQLQIEISA-N 1 2 347.362 3.599 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000159045198 1031829826 /nfs/dbraw/zinc/82/98/26/1031829826.db2.gz RVJGZPKHEHLBDJ-DYVFJYSZSA-N 1 2 330.407 3.700 20 0 EHADLO CCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2Oc2cccc(C)c2)no1 ZINC000484644835 1031833187 /nfs/dbraw/zinc/83/31/87/1031833187.db2.gz MRHFILFXAHYSOW-IAGOWNOFSA-N 1 2 329.444 3.810 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000117761426 1031849181 /nfs/dbraw/zinc/84/91/81/1031849181.db2.gz ZCKGCYPNUDXGCC-IBGZPJMESA-N 1 2 335.382 3.989 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H](C)c1cnn(C)c1C ZINC000180399929 1031849716 /nfs/dbraw/zinc/84/97/16/1031849716.db2.gz GPBYFEOUXIYWEX-GFCCVEGCSA-N 1 2 338.411 3.627 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180437339 1031852121 /nfs/dbraw/zinc/85/21/21/1031852121.db2.gz WKVLDFOFVVSEKR-HNNXBMFYSA-N 1 2 327.302 3.571 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180437339 1031852143 /nfs/dbraw/zinc/85/21/43/1031852143.db2.gz WKVLDFOFVVSEKR-HNNXBMFYSA-N 1 2 327.302 3.571 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000180323569 1031878189 /nfs/dbraw/zinc/87/81/89/1031878189.db2.gz JDZREGOSEVWPCN-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000448914556 1031884775 /nfs/dbraw/zinc/88/47/75/1031884775.db2.gz YAJRJISWNJNHPT-UZLBHIALSA-N 1 2 328.456 3.765 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000448914552 1031884920 /nfs/dbraw/zinc/88/49/20/1031884920.db2.gz YAJRJISWNJNHPT-JXFKEZNVSA-N 1 2 328.456 3.765 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000448914555 1031885074 /nfs/dbraw/zinc/88/50/74/1031885074.db2.gz YAJRJISWNJNHPT-OXQOHEQNSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000904263245 1031889856 /nfs/dbraw/zinc/88/98/56/1031889856.db2.gz VHYXLXFJVIKVIL-CQSZACIVSA-N 1 2 336.395 3.715 20 0 EHADLO CCC(CC)n1nc(-c2nc(-c3c[nH+]c(N)cc3C)no2)cc1C ZINC000904269340 1031897401 /nfs/dbraw/zinc/89/74/01/1031897401.db2.gz BNGQQXOSMPZXPG-UHFFFAOYSA-N 1 2 326.404 3.555 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180747333 1031907413 /nfs/dbraw/zinc/90/74/13/1031907413.db2.gz YMOPXYFZOPNHLO-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1 ZINC000180747333 1031907429 /nfs/dbraw/zinc/90/74/29/1031907429.db2.gz YMOPXYFZOPNHLO-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(C(C)C)[nH+]1 ZINC000343682771 1031926353 /nfs/dbraw/zinc/92/63/53/1031926353.db2.gz JIONLCSRPCFFAO-INIZCTEOSA-N 1 2 325.460 3.852 20 0 EHADLO COc1cc(Br)ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000180942470 1031928095 /nfs/dbraw/zinc/92/80/95/1031928095.db2.gz RRKNHROFVHRJSU-UHFFFAOYSA-N 1 2 341.274 3.939 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000171011725 1032010143 /nfs/dbraw/zinc/01/01/43/1032010143.db2.gz OBUBDYJKXSOVFT-UHFFFAOYSA-N 1 2 326.444 3.504 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000455794958 1032018373 /nfs/dbraw/zinc/01/83/73/1032018373.db2.gz PAIKEQBYGLWWIK-PKOBYXMFSA-N 1 2 325.456 3.739 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000449012670 1032022515 /nfs/dbraw/zinc/02/25/15/1032022515.db2.gz FYJIJWMYSULFJV-UHFFFAOYSA-N 1 2 340.467 3.999 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000449012670 1032022528 /nfs/dbraw/zinc/02/25/28/1032022528.db2.gz FYJIJWMYSULFJV-UHFFFAOYSA-N 1 2 340.467 3.999 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000449015113 1032027380 /nfs/dbraw/zinc/02/73/80/1032027380.db2.gz RZWAGZABULQIIX-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000449015113 1032027395 /nfs/dbraw/zinc/02/73/95/1032027395.db2.gz RZWAGZABULQIIX-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccnc3c(Br)cccc23)no1 ZINC000449016370 1032028173 /nfs/dbraw/zinc/02/81/73/1032028173.db2.gz VTYQEQCGWAPDOU-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccnc3c(Br)cccc23)no1 ZINC000449016370 1032028184 /nfs/dbraw/zinc/02/81/84/1032028184.db2.gz VTYQEQCGWAPDOU-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC000449008276 1032049439 /nfs/dbraw/zinc/04/94/39/1032049439.db2.gz IOUYPPXKPHTPLA-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449009722 1032054245 /nfs/dbraw/zinc/05/42/45/1032054245.db2.gz PNBUDAQHBZGYPF-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449009722 1032054262 /nfs/dbraw/zinc/05/42/62/1032054262.db2.gz PNBUDAQHBZGYPF-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416340 1033307181 /nfs/dbraw/zinc/30/71/81/1033307181.db2.gz KQVYHFVTGMHPNM-GXFFZTMASA-N 1 2 347.768 3.667 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416340 1033307191 /nfs/dbraw/zinc/30/71/91/1033307191.db2.gz KQVYHFVTGMHPNM-GXFFZTMASA-N 1 2 347.768 3.667 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056476 1033310512 /nfs/dbraw/zinc/31/05/12/1033310512.db2.gz NZYHHGMSNWSTAG-AWEZNQCLSA-N 1 2 328.378 3.634 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056476 1033310529 /nfs/dbraw/zinc/31/05/29/1033310529.db2.gz NZYHHGMSNWSTAG-AWEZNQCLSA-N 1 2 328.378 3.634 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000173419311 1033313783 /nfs/dbraw/zinc/31/37/83/1033313783.db2.gz ZPZSWEZELCDRRK-AWEZNQCLSA-N 1 2 340.389 3.543 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426518 1033317683 /nfs/dbraw/zinc/31/76/83/1033317683.db2.gz VQHFOPCJLDDOIX-AAEUAGOBSA-N 1 2 347.377 3.528 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc(OC)c1OCC(F)F ZINC000685426518 1033317696 /nfs/dbraw/zinc/31/76/96/1033317696.db2.gz VQHFOPCJLDDOIX-AAEUAGOBSA-N 1 2 347.377 3.528 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(OC3CCC3)CC2)n1 ZINC000574623718 1033325134 /nfs/dbraw/zinc/32/51/34/1033325134.db2.gz KLGGNJCQOVEGML-UHFFFAOYSA-N 1 2 341.455 3.502 20 0 EHADLO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574641715 1033333326 /nfs/dbraw/zinc/33/33/26/1033333326.db2.gz YGOPCVPYCWNDCH-YQVWRLOYSA-N 1 2 341.455 3.649 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccccc1OCc1ccncc1 ZINC000607852211 1033360899 /nfs/dbraw/zinc/36/08/99/1033360899.db2.gz HTNCZKPGNGTVIJ-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486443 1033366242 /nfs/dbraw/zinc/36/62/42/1033366242.db2.gz UMZHBCOCZNEUHE-ZIAGYGMSSA-N 1 2 340.562 3.704 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486443 1033366252 /nfs/dbraw/zinc/36/62/52/1033366252.db2.gz UMZHBCOCZNEUHE-ZIAGYGMSSA-N 1 2 340.562 3.704 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000173536559 1033382179 /nfs/dbraw/zinc/38/21/79/1033382179.db2.gz PLVLWHDRXYRHBY-QGZVFWFLSA-N 1 2 333.505 3.737 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000173536559 1033382191 /nfs/dbraw/zinc/38/21/91/1033382191.db2.gz PLVLWHDRXYRHBY-QGZVFWFLSA-N 1 2 333.505 3.737 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000358117610 1033409945 /nfs/dbraw/zinc/40/99/45/1033409945.db2.gz MBBVXVFCWYAKET-MRXNPFEDSA-N 1 2 334.851 3.660 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@]1(C)CC=CCC1 ZINC001142542487 1033412651 /nfs/dbraw/zinc/41/26/51/1033412651.db2.gz SXIXLZYBKOIDOV-IBGZPJMESA-N 1 2 340.427 3.523 20 0 EHADLO Cc1nc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc[nH+]1 ZINC000608086774 1033460545 /nfs/dbraw/zinc/46/05/45/1033460545.db2.gz LACHUGAQCYQZQK-UHFFFAOYSA-N 1 2 337.452 3.688 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000669672837 1033461589 /nfs/dbraw/zinc/46/15/89/1033461589.db2.gz OQKAAEQDAMQIKY-HNNXBMFYSA-N 1 2 343.496 3.918 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3c(c2)OCC3(C)C)cc(C)[nH+]1 ZINC000529151059 1033489341 /nfs/dbraw/zinc/48/93/41/1033489341.db2.gz RYSUWACTJYUDDZ-UHFFFAOYSA-N 1 2 325.412 3.690 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)Nc2cccc3[nH+]ccn32)ccc1Cl ZINC000460333758 1033501483 /nfs/dbraw/zinc/50/14/83/1033501483.db2.gz IKLSPEBZTXQRAA-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000529159577 1033509215 /nfs/dbraw/zinc/50/92/15/1033509215.db2.gz JLSXHTMHTWEIPT-UHFFFAOYSA-N 1 2 345.487 3.530 20 0 EHADLO c1cn2c(cccc2CNc2[nH+]c3ccccc3n2C2CCCC2)n1 ZINC000537506215 1033511569 /nfs/dbraw/zinc/51/15/69/1033511569.db2.gz ITKFUXRHTMTUBP-UHFFFAOYSA-N 1 2 331.423 3.833 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120208897 1033517285 /nfs/dbraw/zinc/51/72/85/1033517285.db2.gz DRQXAAFVPATEJK-ZDUSSCGKSA-N 1 2 349.862 3.536 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120208897 1033517292 /nfs/dbraw/zinc/51/72/92/1033517292.db2.gz DRQXAAFVPATEJK-ZDUSSCGKSA-N 1 2 349.862 3.536 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120208747 1033517527 /nfs/dbraw/zinc/51/75/27/1033517527.db2.gz DRQXAAFVPATEJK-CYBMUJFWSA-N 1 2 349.862 3.536 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120208747 1033517537 /nfs/dbraw/zinc/51/75/37/1033517537.db2.gz DRQXAAFVPATEJK-CYBMUJFWSA-N 1 2 349.862 3.536 20 0 EHADLO CCc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1CC(C)C ZINC000120224144 1033527412 /nfs/dbraw/zinc/52/74/12/1033527412.db2.gz KZPFQZRIYAVBGS-UHFFFAOYSA-N 1 2 337.427 3.540 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1)C2 ZINC001168289764 1033529796 /nfs/dbraw/zinc/52/97/96/1033529796.db2.gz VGBHUJMZMIPPSP-ICSRJNTNSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@H]1c1ccc(Cl)cc1)C2 ZINC001168289764 1033529807 /nfs/dbraw/zinc/52/98/07/1033529807.db2.gz VGBHUJMZMIPPSP-ICSRJNTNSA-N 1 2 343.854 3.889 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669675760 1033535679 /nfs/dbraw/zinc/53/56/79/1033535679.db2.gz VKCJSWLKCUDSHN-OAHLLOKOSA-N 1 2 332.492 3.639 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000608205145 1033542166 /nfs/dbraw/zinc/54/21/66/1033542166.db2.gz OCVXGXXAWMSFBR-KRWDZBQOSA-N 1 2 345.402 3.880 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608260399 1033556429 /nfs/dbraw/zinc/55/64/29/1033556429.db2.gz LXRNWYNAVYUGKB-SFHVURJKSA-N 1 2 334.423 3.834 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(F)cc1Cl ZINC000106242652 1033558892 /nfs/dbraw/zinc/55/88/92/1033558892.db2.gz PSABCUOCBVJIBM-IUCAKERBSA-N 1 2 327.812 3.613 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106240715 1033560519 /nfs/dbraw/zinc/56/05/19/1033560519.db2.gz LKDKFZBFCLLYCO-STQMWFEESA-N 1 2 331.485 3.946 20 0 EHADLO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000598918782 1033574017 /nfs/dbraw/zinc/57/40/17/1033574017.db2.gz CUNYZJNBEJDMOJ-LBPRGKRZSA-N 1 2 348.393 3.530 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(CNc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000598956432 1033610069 /nfs/dbraw/zinc/61/00/69/1033610069.db2.gz FRAVEBJODBHXMT-UHFFFAOYSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651086 1033671213 /nfs/dbraw/zinc/67/12/13/1033671213.db2.gz ZXOUSMTYXYPQKE-WDEREUQCSA-N 1 2 326.322 3.529 20 0 EHADLO O=C(NCCOc1cccc2ccccc21)Nc1ccn2cc[nH+]c2c1 ZINC000685651858 1033675108 /nfs/dbraw/zinc/67/51/08/1033675108.db2.gz RGHCEFHRCJTPAO-UHFFFAOYSA-N 1 2 346.390 3.688 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000431619657 1033688420 /nfs/dbraw/zinc/68/84/20/1033688420.db2.gz HAPZESFWXUHXSY-UHFFFAOYSA-N 1 2 348.431 3.722 20 0 EHADLO CCc1ccccc1NC(=S)NCc1ccccc1-n1cc[nH+]c1 ZINC000063790336 1033699701 /nfs/dbraw/zinc/69/97/01/1033699701.db2.gz IUZHQJSHYRBCAC-UHFFFAOYSA-N 1 2 336.464 3.921 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC ZINC000669686149 1033710187 /nfs/dbraw/zinc/71/01/87/1033710187.db2.gz IYAFZBNKHRDJSM-CQSZACIVSA-N 1 2 346.475 3.509 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@@H](C)c3cccs3)nc2c1 ZINC000595297787 1033722374 /nfs/dbraw/zinc/72/23/74/1033722374.db2.gz OQUZVYMSNRVHRK-NSHDSACASA-N 1 2 329.425 3.604 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@@H](C)c3cccs3)nc2c1 ZINC000595297787 1033722385 /nfs/dbraw/zinc/72/23/85/1033722385.db2.gz OQUZVYMSNRVHRK-NSHDSACASA-N 1 2 329.425 3.604 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@H]1C1CC1)C2 ZINC000574971046 1033745740 /nfs/dbraw/zinc/74/57/40/1033745740.db2.gz AINUOLFCQXYVLN-PMPSAXMXSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@H]1C1CC1)CC2 ZINC000574971046 1033745758 /nfs/dbraw/zinc/74/57/58/1033745758.db2.gz AINUOLFCQXYVLN-PMPSAXMXSA-N 1 2 329.488 3.581 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000081370625 1033745973 /nfs/dbraw/zinc/74/59/73/1033745973.db2.gz DRTDSDWERYMJHT-JOCHJYFZSA-N 1 2 341.414 3.942 20 0 EHADLO C[C@@](CO)([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000599170850 1033785255 /nfs/dbraw/zinc/78/52/55/1033785255.db2.gz RSMVWWSGTCRPDL-IBGZPJMESA-N 1 2 344.361 3.617 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179176 1033805046 /nfs/dbraw/zinc/80/50/46/1033805046.db2.gz FBUVAOISTMBMDC-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000599179176 1033805062 /nfs/dbraw/zinc/80/50/62/1033805062.db2.gz FBUVAOISTMBMDC-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)nn1-c1ccc(Cl)cc1 ZINC000537589192 1033824042 /nfs/dbraw/zinc/82/40/42/1033824042.db2.gz REGDQPWLWSLJSN-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO COc1ccc(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000061198407 1033834910 /nfs/dbraw/zinc/83/49/10/1033834910.db2.gz PAUPEKUYJCHELP-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(Cc2cccc(Cl)c2)CC1 ZINC000450180720 1033842205 /nfs/dbraw/zinc/84/22/05/1033842205.db2.gz LIUIEXXNPIRGCL-UHFFFAOYSA-N 1 2 339.826 3.627 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000129932871 1033859354 /nfs/dbraw/zinc/85/93/54/1033859354.db2.gz RJQAISQPHGLTOL-GOSISDBHSA-N 1 2 347.462 3.943 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000608728577 1033867520 /nfs/dbraw/zinc/86/75/20/1033867520.db2.gz LFFZJTMXUPTULS-QGZVFWFLSA-N 1 2 340.471 3.536 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595638728 1033912448 /nfs/dbraw/zinc/91/24/48/1033912448.db2.gz SZKGOCDSBPTFMF-INIZCTEOSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595638728 1033912463 /nfs/dbraw/zinc/91/24/63/1033912463.db2.gz SZKGOCDSBPTFMF-INIZCTEOSA-N 1 2 343.423 3.636 20 0 EHADLO C[C@H](c1c(F)cccc1F)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120543681 1033919736 /nfs/dbraw/zinc/91/97/36/1033919736.db2.gz LDBWOENBOMJXHN-LSDHHAIUSA-N 1 2 331.410 3.800 20 0 EHADLO C[C@@H](c1csnn1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000450238061 1033959056 /nfs/dbraw/zinc/95/90/56/1033959056.db2.gz TZGNCYIAGHBRCI-STQMWFEESA-N 1 2 336.892 3.631 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)NCCn2cc[nH+]c2)c1 ZINC000118052107 1034000971 /nfs/dbraw/zinc/00/09/71/1034000971.db2.gz NHJWNHKBWYGGRX-SFHVURJKSA-N 1 2 326.444 3.518 20 0 EHADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c2c(n1)onc2C(C)C ZINC000603886324 1034009488 /nfs/dbraw/zinc/00/94/88/1034009488.db2.gz YRLDQSWMLAXPMI-UHFFFAOYSA-N 1 2 335.367 3.555 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1C ZINC000603890687 1034011917 /nfs/dbraw/zinc/01/19/17/1034011917.db2.gz ZJRXTKOULASKFU-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(-c3ccccc3F)s2)n1 ZINC000658159029 1034014822 /nfs/dbraw/zinc/01/48/22/1034014822.db2.gz MORFFVILIGCYGS-LLVKDONJSA-N 1 2 346.431 3.670 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000658158124 1034014977 /nfs/dbraw/zinc/01/49/77/1034014977.db2.gz FXZDBJXIZSDGRR-HNNXBMFYSA-N 1 2 343.258 3.745 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579228 1034022115 /nfs/dbraw/zinc/02/21/15/1034022115.db2.gz AHEPNAQHDLPKCF-DZGCQCFKSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579228 1034022120 /nfs/dbraw/zinc/02/21/20/1034022120.db2.gz AHEPNAQHDLPKCF-DZGCQCFKSA-N 1 2 336.476 3.772 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1cc(F)cc(F)c1 ZINC000605575662 1034046576 /nfs/dbraw/zinc/04/65/76/1034046576.db2.gz AZPFUFAEBQSIOF-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO COC(=O)c1ccc2c(c1)CN(c1cc(C(F)(F)F)cc(C)[nH+]1)C2 ZINC000596116096 1034081993 /nfs/dbraw/zinc/08/19/93/1034081993.db2.gz IICCDFBSIOACJA-UHFFFAOYSA-N 1 2 336.313 3.716 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000596185969 1034102464 /nfs/dbraw/zinc/10/24/64/1034102464.db2.gz IJONBOZJZVCGBO-HNNXBMFYSA-N 1 2 349.434 3.556 20 0 EHADLO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000529529689 1034114446 /nfs/dbraw/zinc/11/44/46/1034114446.db2.gz CCEOKNCPDQVQQF-JTQLQIEISA-N 1 2 344.406 3.936 20 0 EHADLO Clc1cc(Cl)c(Cl)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC001231597837 1034130094 /nfs/dbraw/zinc/13/00/94/1034130094.db2.gz IWYYLKKHMHHPJN-UHFFFAOYSA-N 1 2 336.646 3.986 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000529525591 1034135364 /nfs/dbraw/zinc/13/53/64/1034135364.db2.gz XSVQZKIKGNHHOK-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000529525591 1034135373 /nfs/dbraw/zinc/13/53/73/1034135373.db2.gz XSVQZKIKGNHHOK-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596278263 1034139926 /nfs/dbraw/zinc/13/99/26/1034139926.db2.gz NZRRUUHVAPSZPR-KBPBESRZSA-N 1 2 341.455 3.621 20 0 EHADLO CCCCNC(=O)[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000534143614 1034161000 /nfs/dbraw/zinc/16/10/00/1034161000.db2.gz AITMJDLVWRWQJY-INIZCTEOSA-N 1 2 346.519 3.856 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450334955 1034164110 /nfs/dbraw/zinc/16/41/10/1034164110.db2.gz VPZNKMHQFYVRGC-CYBMUJFWSA-N 1 2 327.457 3.554 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450334955 1034164121 /nfs/dbraw/zinc/16/41/21/1034164121.db2.gz VPZNKMHQFYVRGC-CYBMUJFWSA-N 1 2 327.457 3.554 20 0 EHADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000604066517 1034193561 /nfs/dbraw/zinc/19/35/61/1034193561.db2.gz PAFUUHLVIPUSSK-GOSISDBHSA-N 1 2 349.434 3.553 20 0 EHADLO CCc1ccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000057613803 1034201576 /nfs/dbraw/zinc/20/15/76/1034201576.db2.gz HOLXUOLFRMUBGF-UHFFFAOYSA-N 1 2 347.484 3.673 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)c(Br)c1 ZINC000658335790 1034209732 /nfs/dbraw/zinc/20/97/32/1034209732.db2.gz GNMZSWJWPOHBEN-WDEREUQCSA-N 1 2 338.249 3.603 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000604109427 1034221592 /nfs/dbraw/zinc/22/15/92/1034221592.db2.gz YLILEAHLKSWKNV-KRWDZBQOSA-N 1 2 340.471 3.840 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171199825 1034226977 /nfs/dbraw/zinc/22/69/77/1034226977.db2.gz GVFNGMOWLNMEHY-UHFFFAOYSA-N 1 2 348.450 3.993 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000599903557 1034244981 /nfs/dbraw/zinc/24/49/81/1034244981.db2.gz XTKBINBAQLTXQY-OALUTQOASA-N 1 2 333.435 3.638 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)no2)c1 ZINC000450388308 1034247918 /nfs/dbraw/zinc/24/79/18/1034247918.db2.gz IXVXLOXHQAUQRE-CQSZACIVSA-N 1 2 338.386 3.569 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)no2)c1 ZINC000450388308 1034247931 /nfs/dbraw/zinc/24/79/31/1034247931.db2.gz IXVXLOXHQAUQRE-CQSZACIVSA-N 1 2 338.386 3.569 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000534231939 1034298800 /nfs/dbraw/zinc/29/88/00/1034298800.db2.gz CNXYOIGVVZXVGN-UHFFFAOYSA-N 1 2 326.843 3.702 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000534231939 1034298809 /nfs/dbraw/zinc/29/88/09/1034298809.db2.gz CNXYOIGVVZXVGN-UHFFFAOYSA-N 1 2 326.843 3.702 20 0 EHADLO CN(C)C(=O)CC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450438642 1034328906 /nfs/dbraw/zinc/32/89/06/1034328906.db2.gz VROMQBBUIJJMBL-UHFFFAOYSA-N 1 2 349.837 3.722 20 0 EHADLO CN(C)[C@H](C(=O)Nc1cccc(C2CCCCC2)c1)c1c[nH+]cn1C ZINC000529651992 1034361297 /nfs/dbraw/zinc/36/12/97/1034361297.db2.gz ZVEYYEYHHUNIIL-IBGZPJMESA-N 1 2 340.471 3.709 20 0 EHADLO CCOCCOCCN(C)c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450473670 1034389320 /nfs/dbraw/zinc/38/93/20/1034389320.db2.gz HWVUULSDCPHCTA-UHFFFAOYSA-N 1 2 326.799 3.517 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c(C)c[nH+]1 ZINC000534325338 1034399283 /nfs/dbraw/zinc/39/92/83/1034399283.db2.gz BKIJKHPYSHRMDF-GOSISDBHSA-N 1 2 327.403 3.841 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000450487524 1034415195 /nfs/dbraw/zinc/41/51/95/1034415195.db2.gz NBWSOGMWTKDXQB-UHFFFAOYSA-N 1 2 349.418 3.645 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000450487524 1034415201 /nfs/dbraw/zinc/41/52/01/1034415201.db2.gz NBWSOGMWTKDXQB-UHFFFAOYSA-N 1 2 349.418 3.645 20 0 EHADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)c2ccccc21 ZINC000359199577 1034430606 /nfs/dbraw/zinc/43/06/06/1034430606.db2.gz QLHBJDASNBRTIU-GFCCVEGCSA-N 1 2 342.830 3.787 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450495374 1034431819 /nfs/dbraw/zinc/43/18/19/1034431819.db2.gz VBJNQBUGVYHQTI-JENIJYKNSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450495374 1034431829 /nfs/dbraw/zinc/43/18/29/1034431829.db2.gz VBJNQBUGVYHQTI-JENIJYKNSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450495376 1034432243 /nfs/dbraw/zinc/43/22/43/1034432243.db2.gz VBJNQBUGVYHQTI-SCTDSRPQSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450495376 1034432248 /nfs/dbraw/zinc/43/22/48/1034432248.db2.gz VBJNQBUGVYHQTI-SCTDSRPQSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000604630979 1034440837 /nfs/dbraw/zinc/44/08/37/1034440837.db2.gz SDCIPIJBESBMHI-DOTOQJQBSA-N 1 2 334.508 3.956 20 0 EHADLO Cc1ccc2c(C3=CC[N@H+](Cc4cn(CC5CC5)nn4)CC3)c[nH]c2c1 ZINC000450522039 1034473409 /nfs/dbraw/zinc/47/34/09/1034473409.db2.gz YYISJMXLKBMUFV-UHFFFAOYSA-N 1 2 347.466 3.767 20 0 EHADLO Cc1ccc2c(C3=CC[N@@H+](Cc4cn(CC5CC5)nn4)CC3)c[nH]c2c1 ZINC000450522039 1034473417 /nfs/dbraw/zinc/47/34/17/1034473417.db2.gz YYISJMXLKBMUFV-UHFFFAOYSA-N 1 2 347.466 3.767 20 0 EHADLO O=C([C@@H]1CCCCC1(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450540130 1034517485 /nfs/dbraw/zinc/51/74/85/1034517485.db2.gz MUKZWSFOLITRPR-INIZCTEOSA-N 1 2 339.430 3.727 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C ZINC000604847606 1034523972 /nfs/dbraw/zinc/52/39/72/1034523972.db2.gz SNMOMYUNWBTASL-MRXNPFEDSA-N 1 2 332.488 3.920 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597089661 1034538918 /nfs/dbraw/zinc/53/89/18/1034538918.db2.gz ZZFBLQPFBGIEJZ-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597089661 1034538923 /nfs/dbraw/zinc/53/89/23/1034538923.db2.gz ZZFBLQPFBGIEJZ-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO C[C@H]1[C@H](CO)CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000413601281 1034569972 /nfs/dbraw/zinc/56/99/72/1034569972.db2.gz ZZKVDIXYYQTHDA-AAEUAGOBSA-N 1 2 335.245 3.595 20 0 EHADLO CCc1oc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1C(=O)OC ZINC000597201684 1034605457 /nfs/dbraw/zinc/60/54/57/1034605457.db2.gz ZNOMSFRNTNSETE-UHFFFAOYSA-N 1 2 347.386 3.599 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000605095051 1034626380 /nfs/dbraw/zinc/62/63/80/1034626380.db2.gz SRSNCKHVIUJWSZ-UHFFFAOYSA-N 1 2 333.435 3.757 20 0 EHADLO COCCCC[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000605150669 1034650627 /nfs/dbraw/zinc/65/06/27/1034650627.db2.gz NNFISBZDQLMGNY-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO COCCCC[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000605150669 1034650635 /nfs/dbraw/zinc/65/06/35/1034650635.db2.gz NNFISBZDQLMGNY-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2c(c1)OCCO2 ZINC000892481191 1034713197 /nfs/dbraw/zinc/71/31/97/1034713197.db2.gz LERNBYJAHLTTIY-SECBINFHSA-N 1 2 344.358 3.784 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000456792121 1034735590 /nfs/dbraw/zinc/73/55/90/1034735590.db2.gz AFBKCKFWYWBJPD-AWEZNQCLSA-N 1 2 331.847 3.788 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3occc3s2)[C@@H](c2ccccc2)C1 ZINC000605453869 1034741950 /nfs/dbraw/zinc/74/19/50/1034741950.db2.gz SXCMFIGPNGHHDL-CQSZACIVSA-N 1 2 326.421 3.623 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3occc3s2)[C@@H](c2ccccc2)C1 ZINC000605453869 1034741965 /nfs/dbraw/zinc/74/19/65/1034741965.db2.gz SXCMFIGPNGHHDL-CQSZACIVSA-N 1 2 326.421 3.623 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](OCC)[C@H](C)C1 ZINC000450744344 1034749880 /nfs/dbraw/zinc/74/98/80/1034749880.db2.gz MFKFUAUVPKFOLG-RDTXWAMCSA-N 1 2 342.439 3.663 20 0 EHADLO CCCCN(CC(F)(F)F)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000605503869 1034755603 /nfs/dbraw/zinc/75/56/03/1034755603.db2.gz MOSAPALCNAMRNY-CQSZACIVSA-N 1 2 342.405 3.624 20 0 EHADLO CCCCN(CC(F)(F)F)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000605503869 1034755611 /nfs/dbraw/zinc/75/56/11/1034755611.db2.gz MOSAPALCNAMRNY-CQSZACIVSA-N 1 2 342.405 3.624 20 0 EHADLO CCCc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccccc1 ZINC000456839383 1034786254 /nfs/dbraw/zinc/78/62/54/1034786254.db2.gz MVRQLPXKTWGWBF-UHFFFAOYSA-N 1 2 348.450 3.767 20 0 EHADLO CO[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C[C@H]1C ZINC000450779283 1034807186 /nfs/dbraw/zinc/80/71/86/1034807186.db2.gz VXYFNWVGOMNRSF-IAQYHMDHSA-N 1 2 335.245 3.859 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121311513 1034814913 /nfs/dbraw/zinc/81/49/13/1034814913.db2.gz AXOVRJQLLPXMSL-QGZVFWFLSA-N 1 2 342.464 3.552 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000761228562 1034834532 /nfs/dbraw/zinc/83/45/32/1034834532.db2.gz LJCYMRJOVTXITF-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000761228562 1034834543 /nfs/dbraw/zinc/83/45/43/1034834543.db2.gz LJCYMRJOVTXITF-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCOCCc2ccccc2)o1 ZINC000605901361 1034840458 /nfs/dbraw/zinc/84/04/58/1034840458.db2.gz JFHMCEACAGHYGV-FQEVSTJZSA-N 1 2 343.467 3.865 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCOCCc2ccccc2)o1 ZINC000605901361 1034840471 /nfs/dbraw/zinc/84/04/71/1034840471.db2.gz JFHMCEACAGHYGV-FQEVSTJZSA-N 1 2 343.467 3.865 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)O1 ZINC000450913174 1034932872 /nfs/dbraw/zinc/93/28/72/1034932872.db2.gz YSUOEVUNBJRITE-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](CCc3cc(Cl)ccc3Cl)C2)O1 ZINC000450913174 1034932881 /nfs/dbraw/zinc/93/28/81/1034932881.db2.gz YSUOEVUNBJRITE-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO Cc1ccc(C)c(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000066006638 1035096666 /nfs/dbraw/zinc/09/66/66/1035096666.db2.gz ZIRQSOHHMXPCRU-MRXNPFEDSA-N 1 2 330.501 3.901 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)nnn1-c1cccc(Cl)c1 ZINC000154393181 1035205128 /nfs/dbraw/zinc/20/51/28/1035205128.db2.gz KHGUDYVDQAPBFP-LBPRGKRZSA-N 1 2 342.830 3.786 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000612818842 1035242891 /nfs/dbraw/zinc/24/28/91/1035242891.db2.gz PKKNBALDEPOJQP-ZDUSSCGKSA-N 1 2 336.888 3.880 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000612818842 1035242896 /nfs/dbraw/zinc/24/28/96/1035242896.db2.gz PKKNBALDEPOJQP-ZDUSSCGKSA-N 1 2 336.888 3.880 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376099601 1035263698 /nfs/dbraw/zinc/26/36/98/1035263698.db2.gz YBDZOURUDZVOOJ-UKYUDJEDSA-N 1 2 343.858 3.883 20 0 EHADLO COc1ccc(CCCCCC(=O)Nc2c(C)c[nH+]cc2C)cc1 ZINC001625884249 1035270089 /nfs/dbraw/zinc/27/00/89/1035270089.db2.gz MRQIZBJXAUXZCT-UHFFFAOYSA-N 1 2 326.440 3.871 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001625884517 1035359915 /nfs/dbraw/zinc/35/99/15/1035359915.db2.gz PRBCHXZGGRWANV-LLVKDONJSA-N 1 2 339.222 3.833 20 0 EHADLO COc1cccc(C2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC2)c1 ZINC000636239956 1035382299 /nfs/dbraw/zinc/38/22/99/1035382299.db2.gz ZSFLIZDICUICCJ-SFHVURJKSA-N 1 2 341.455 3.675 20 0 EHADLO Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613103816 1035400658 /nfs/dbraw/zinc/40/06/58/1035400658.db2.gz XSBJVHNGSYZYSE-IAGOWNOFSA-N 1 2 332.407 3.533 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414069928 1035436089 /nfs/dbraw/zinc/43/60/89/1035436089.db2.gz CAPBRYKWNQMGDV-FZMZJTMJSA-N 1 2 346.452 3.667 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H]1C1CCCC1 ZINC000431760283 1035440619 /nfs/dbraw/zinc/44/06/19/1035440619.db2.gz WXNUHFXRXLPWSN-FQEVSTJZSA-N 1 2 337.467 3.655 20 0 EHADLO Nc1nc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)[nH+]c2ccccc12 ZINC000549008136 1035467886 /nfs/dbraw/zinc/46/78/86/1035467886.db2.gz FJPCACJNZNHSRH-ZDUSSCGKSA-N 1 2 336.361 3.601 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2cccc3ccccc23)C1 ZINC000492283177 1035558854 /nfs/dbraw/zinc/55/88/54/1035558854.db2.gz KBXWDUZFGSXVGJ-LPADLIQXSA-N 1 2 331.419 3.603 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000491298276 1035612243 /nfs/dbraw/zinc/61/22/43/1035612243.db2.gz VXZFBCAHKPQOND-IBGZPJMESA-N 1 2 330.859 3.854 20 0 EHADLO COc1ccc(C2([NH2+][C@H](C)c3nnn(-c4ccccc4)c3C)CC2)cc1 ZINC000540723217 1035612536 /nfs/dbraw/zinc/61/25/36/1035612536.db2.gz GOLXTKAMAXQRCJ-OAHLLOKOSA-N 1 2 348.450 3.924 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCO[C@H](c4cccs4)C3)ccc2O1 ZINC000186311446 1035614519 /nfs/dbraw/zinc/61/45/19/1035614519.db2.gz SHWVJMAORKBNSH-KRWDZBQOSA-N 1 2 345.464 3.967 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCO[C@H](c4cccs4)C3)ccc2O1 ZINC000186311446 1035614525 /nfs/dbraw/zinc/61/45/25/1035614525.db2.gz SHWVJMAORKBNSH-KRWDZBQOSA-N 1 2 345.464 3.967 20 0 EHADLO CC(C)C1(C)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000186326365 1035617991 /nfs/dbraw/zinc/61/79/91/1035617991.db2.gz CDJSIKAGKOZQKP-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186288526 1035623051 /nfs/dbraw/zinc/62/30/51/1035623051.db2.gz HIHUZBGVPUUQCS-UHFFFAOYSA-N 1 2 346.740 3.767 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000186520668 1035655820 /nfs/dbraw/zinc/65/58/20/1035655820.db2.gz SEGDSXKFKUYBBP-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO COc1ccc2nc(C[N@H+](C)Cc3ccccc3OC)sc2c1 ZINC000186550215 1035657427 /nfs/dbraw/zinc/65/74/27/1035657427.db2.gz KNIHRXPCEKQGRG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1ccc2nc(C[N@@H+](C)Cc3ccccc3OC)sc2c1 ZINC000186550215 1035657434 /nfs/dbraw/zinc/65/74/34/1035657434.db2.gz KNIHRXPCEKQGRG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO C[C@](CO)([NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000237639012 1035691483 /nfs/dbraw/zinc/69/14/83/1035691483.db2.gz ZHXXXHVYMYVBLF-QGZVFWFLSA-N 1 2 330.478 3.869 20 0 EHADLO CC(C)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC(C)(C)C1 ZINC000457081816 1035695553 /nfs/dbraw/zinc/69/55/53/1035695553.db2.gz XMPPGIONZYWVJU-UHFFFAOYSA-N 1 2 339.483 3.900 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)s1 ZINC000414138305 1035726615 /nfs/dbraw/zinc/72/66/15/1035726615.db2.gz KEOBQUIBUPWOPB-JTQLQIEISA-N 1 2 340.395 3.892 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)s1 ZINC000414150654 1035789136 /nfs/dbraw/zinc/78/91/36/1035789136.db2.gz YISCRJQBRIPRFP-SECBINFHSA-N 1 2 326.368 3.718 20 0 EHADLO CCSc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414152855 1035797256 /nfs/dbraw/zinc/79/72/56/1035797256.db2.gz XKLKEDOKEIDBLU-LLVKDONJSA-N 1 2 336.482 3.893 20 0 EHADLO CCNc1ccc(Cl)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000540914441 1035803869 /nfs/dbraw/zinc/80/38/69/1035803869.db2.gz ZIUFBCGOQKYOTB-UHFFFAOYSA-N 1 2 342.830 3.909 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000540916185 1035807644 /nfs/dbraw/zinc/80/76/44/1035807644.db2.gz ZOIHZTPETWCJSJ-LBPRGKRZSA-N 1 2 345.468 3.634 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000514675410 1035892544 /nfs/dbraw/zinc/89/25/44/1035892544.db2.gz RHWDBXJARGPZAD-PXNSSMCTSA-N 1 2 343.430 3.624 20 0 EHADLO CC[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCO1 ZINC000230343217 1035906107 /nfs/dbraw/zinc/90/61/07/1035906107.db2.gz KNIVHNFQOUUCRQ-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CC[N@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCO1 ZINC000230343217 1035906119 /nfs/dbraw/zinc/90/61/19/1035906119.db2.gz KNIVHNFQOUUCRQ-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CSCC[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OC(C)C ZINC001168168376 1035906829 /nfs/dbraw/zinc/90/68/29/1035906829.db2.gz RRRMDRQGQHPUAE-CJNGLKHVSA-N 1 2 343.920 3.934 20 0 EHADLO COC[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230347408 1035906885 /nfs/dbraw/zinc/90/68/85/1035906885.db2.gz CDPNUTGJFSEDHZ-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230347408 1035906895 /nfs/dbraw/zinc/90/68/95/1035906895.db2.gz CDPNUTGJFSEDHZ-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO Cc1ccc(-n2ncc(C(=O)Nc3cc(C)[nH+]cc3C)c2C(C)C)cc1 ZINC000535035214 1035915223 /nfs/dbraw/zinc/91/52/23/1035915223.db2.gz OXZUWZBXJWGTTN-UHFFFAOYSA-N 1 2 348.450 3.990 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccn(C)n2)cc(C)c1OCC(F)(F)F ZINC000535082212 1035975024 /nfs/dbraw/zinc/97/50/24/1035975024.db2.gz UENNRTRAZYUXTJ-UHFFFAOYSA-N 1 2 341.377 3.610 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccn(C)n2)cc(C)c1OCC(F)(F)F ZINC000535082212 1035975037 /nfs/dbraw/zinc/97/50/37/1035975037.db2.gz UENNRTRAZYUXTJ-UHFFFAOYSA-N 1 2 341.377 3.610 20 0 EHADLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C2 ZINC000541088120 1035975637 /nfs/dbraw/zinc/97/56/37/1035975637.db2.gz XBTFBSVRISWLAD-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C2 ZINC000541088120 1035975644 /nfs/dbraw/zinc/97/56/44/1035975644.db2.gz XBTFBSVRISWLAD-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CCc1cc(N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)nc(C)[nH+]1 ZINC000541090323 1035978183 /nfs/dbraw/zinc/97/81/83/1035978183.db2.gz ODMHRKHQXRFXEF-PXAZEXFGSA-N 1 2 331.847 3.967 20 0 EHADLO COc1sc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1Br ZINC000535085279 1035979781 /nfs/dbraw/zinc/97/97/81/1035979781.db2.gz RZQGMOYNLXVPMM-RKDXNWHRSA-N 1 2 336.320 3.845 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000535084714 1035980716 /nfs/dbraw/zinc/98/07/16/1035980716.db2.gz MSMWXURRGHSJGM-SFHVURJKSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000535084714 1035980728 /nfs/dbraw/zinc/98/07/28/1035980728.db2.gz MSMWXURRGHSJGM-SFHVURJKSA-N 1 2 346.496 3.895 20 0 EHADLO Cc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cccc(C)c1 ZINC000646464661 1036011311 /nfs/dbraw/zinc/01/13/11/1036011311.db2.gz FUMZPWDTBGIHLB-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO Cn1c(=S)n(C[NH+]2CCC(C)(c3ccccc3)CC2)nc1C1CC1 ZINC000156892825 1036058635 /nfs/dbraw/zinc/05/86/35/1036058635.db2.gz AHTBYJIEVNVCEL-UHFFFAOYSA-N 1 2 342.512 3.840 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168445385 1036079821 /nfs/dbraw/zinc/07/98/21/1036079821.db2.gz KDJSRVCMLAQSPP-IRXDYDNUSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168445385 1036079842 /nfs/dbraw/zinc/07/98/42/1036079842.db2.gz KDJSRVCMLAQSPP-IRXDYDNUSA-N 1 2 334.435 3.582 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCOCC1CC1 ZINC000428778790 1036110881 /nfs/dbraw/zinc/11/08/81/1036110881.db2.gz BALJUBYHVLVAQU-GUYCJALGSA-N 1 2 343.389 3.894 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCOCC1CC1 ZINC000428778790 1036110890 /nfs/dbraw/zinc/11/08/90/1036110890.db2.gz BALJUBYHVLVAQU-GUYCJALGSA-N 1 2 343.389 3.894 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572504896 1036119575 /nfs/dbraw/zinc/11/95/75/1036119575.db2.gz OMFOCQWJQGAGCD-UHFFFAOYSA-N 1 2 349.438 3.689 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CCO1 ZINC000174874387 1036147568 /nfs/dbraw/zinc/14/75/68/1036147568.db2.gz BNGFGHGKDVPLIG-KRWDZBQOSA-N 1 2 346.496 3.781 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)CCO1 ZINC000174874387 1036147579 /nfs/dbraw/zinc/14/75/79/1036147579.db2.gz BNGFGHGKDVPLIG-KRWDZBQOSA-N 1 2 346.496 3.781 20 0 EHADLO Cc1ccc(/C=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000491236942 1036196277 /nfs/dbraw/zinc/19/62/77/1036196277.db2.gz NEACOGNTSFPOIC-KHPPLWFESA-N 1 2 347.418 3.922 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000457528209 1036223448 /nfs/dbraw/zinc/22/34/48/1036223448.db2.gz OSHNYUKQHLFLJP-CQSZACIVSA-N 1 2 341.430 3.550 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@](C)(c3ccccc3)C(F)(F)F)ccn12 ZINC001127260038 1036228003 /nfs/dbraw/zinc/22/80/03/1036228003.db2.gz PYPPMYOONWTGNF-KRWDZBQOSA-N 1 2 347.340 3.850 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC000175092990 1036237930 /nfs/dbraw/zinc/23/79/30/1036237930.db2.gz JSUHDGZBPPPDFX-MRXNPFEDSA-N 1 2 348.512 3.621 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC000175092990 1036237952 /nfs/dbraw/zinc/23/79/52/1036237952.db2.gz JSUHDGZBPPPDFX-MRXNPFEDSA-N 1 2 348.512 3.621 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000892577616 1036244219 /nfs/dbraw/zinc/24/42/19/1036244219.db2.gz VSAVANUGSHDGQB-UHFFFAOYSA-N 1 2 347.333 3.982 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175176650 1036264509 /nfs/dbraw/zinc/26/45/09/1036264509.db2.gz AUSZZSCSAQMBRS-CYBMUJFWSA-N 1 2 333.391 3.862 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175176650 1036264523 /nfs/dbraw/zinc/26/45/23/1036264523.db2.gz AUSZZSCSAQMBRS-CYBMUJFWSA-N 1 2 333.391 3.862 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000175181716 1036266302 /nfs/dbraw/zinc/26/63/02/1036266302.db2.gz YSQOORPGVSKRCC-IAGOWNOFSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1(C)C ZINC000457594780 1036292661 /nfs/dbraw/zinc/29/26/61/1036292661.db2.gz IUTLXFDIXCFGIC-GOSISDBHSA-N 1 2 344.503 3.648 20 0 EHADLO O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492796612 1036312967 /nfs/dbraw/zinc/31/29/67/1036312967.db2.gz HFVWFCRATKAAPI-SOFGYWHQSA-N 1 2 344.374 3.725 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000170893280 1036422204 /nfs/dbraw/zinc/42/22/04/1036422204.db2.gz LJDNLRMHZHGLIY-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO CCn1c(C)nnc1C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000376385145 1036433955 /nfs/dbraw/zinc/43/39/55/1036433955.db2.gz KDSMATMFGQAZSD-UHFFFAOYSA-N 1 2 336.842 3.721 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2ncccn2)cc1OC ZINC000191880865 1036436153 /nfs/dbraw/zinc/43/61/53/1036436153.db2.gz NMKGIHSFIKOZMA-UHFFFAOYSA-N 1 2 329.444 3.686 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2ncccn2)cc1OC ZINC000191880865 1036436156 /nfs/dbraw/zinc/43/61/56/1036436156.db2.gz NMKGIHSFIKOZMA-UHFFFAOYSA-N 1 2 329.444 3.686 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000541550094 1036441583 /nfs/dbraw/zinc/44/15/83/1036441583.db2.gz VYPAJLOFIYFFJE-FQEVSTJZSA-N 1 2 337.398 3.894 20 0 EHADLO c1nnc([C@H]([NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)c2cccnc2)[nH]1 ZINC000572713669 1036466373 /nfs/dbraw/zinc/46/63/73/1036466373.db2.gz MDVVXYYEMCEGCE-YZGWKJHDSA-N 1 2 347.466 3.853 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCC(=O)Nc2ccccc21 ZINC000192106543 1036472990 /nfs/dbraw/zinc/47/29/90/1036472990.db2.gz PTJHEEXYHRCMBB-UHFFFAOYSA-N 1 2 332.407 3.530 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC001168175733 1036492742 /nfs/dbraw/zinc/49/27/42/1036492742.db2.gz QLERTSQQAPNYJI-GOSISDBHSA-N 1 2 349.858 3.892 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC001168175733 1036492751 /nfs/dbraw/zinc/49/27/51/1036492751.db2.gz QLERTSQQAPNYJI-GOSISDBHSA-N 1 2 349.858 3.892 20 0 EHADLO Cc1nc(C(=O)OCc2cccc3[nH+]ccn32)c(-c2ccccc2)o1 ZINC000760245245 1036529025 /nfs/dbraw/zinc/52/90/25/1036529025.db2.gz UNZAUVBDQXGNCF-UHFFFAOYSA-N 1 2 333.347 3.655 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000376402498 1036529291 /nfs/dbraw/zinc/52/92/91/1036529291.db2.gz UKDXLUMMDGKWIT-KRWDZBQOSA-N 1 2 345.455 3.707 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000376402498 1036529301 /nfs/dbraw/zinc/52/93/01/1036529301.db2.gz UKDXLUMMDGKWIT-KRWDZBQOSA-N 1 2 345.455 3.707 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000572878896 1036541866 /nfs/dbraw/zinc/54/18/66/1036541866.db2.gz HWMZOXBDZNGOTK-JKSUJKDBSA-N 1 2 345.361 3.528 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]2C[N@@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000572878896 1036541882 /nfs/dbraw/zinc/54/18/82/1036541882.db2.gz HWMZOXBDZNGOTK-JKSUJKDBSA-N 1 2 345.361 3.528 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc(F)c1 ZINC000589639921 1036570687 /nfs/dbraw/zinc/57/06/87/1036570687.db2.gz MZCGUFHBQTZGPO-HXUWFJFHSA-N 1 2 346.409 3.987 20 0 EHADLO CC[C@@H]1CN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C[C@@H]1O ZINC000535510326 1036572105 /nfs/dbraw/zinc/57/21/05/1036572105.db2.gz JXWKYNGVSJNUPC-RISCZKNCSA-N 1 2 340.345 3.649 20 0 EHADLO Fc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000025371413 1036581676 /nfs/dbraw/zinc/58/16/76/1036581676.db2.gz BKHTXJCHDUFDLC-UHFFFAOYSA-N 1 2 327.428 3.758 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@@H](CO)c3c(F)cccc3F)cc2c1 ZINC001168393078 1036583523 /nfs/dbraw/zinc/58/35/23/1036583523.db2.gz NTHBNOOOGJOFOU-SFHVURJKSA-N 1 2 328.362 3.645 20 0 EHADLO O=C(/C=C/C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493052006 1036598949 /nfs/dbraw/zinc/59/89/49/1036598949.db2.gz PMEBWCAFLBXSBH-SXSDINLZSA-N 1 2 327.472 3.672 20 0 EHADLO c1cn2cc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)nc2s1 ZINC000175950647 1036641638 /nfs/dbraw/zinc/64/16/38/1036641638.db2.gz YNDSFMMOGLQGLJ-SFHVURJKSA-N 1 2 341.480 3.620 20 0 EHADLO c1cn2cc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)nc2s1 ZINC000175950647 1036641641 /nfs/dbraw/zinc/64/16/41/1036641641.db2.gz YNDSFMMOGLQGLJ-SFHVURJKSA-N 1 2 341.480 3.620 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)CCCn1cc[nH+]c1 ZINC000648462200 1036651532 /nfs/dbraw/zinc/65/15/32/1036651532.db2.gz MHFSMUMMEGJFNJ-UHFFFAOYSA-N 1 2 327.472 3.965 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000589957729 1036678913 /nfs/dbraw/zinc/67/89/13/1036678913.db2.gz QQQSXHQHKRAFSR-OAHLLOKOSA-N 1 2 331.847 3.710 20 0 EHADLO CCc1cc2c(Cc3nc(Cc4c[nH+]cn4C)no3)csc2s1 ZINC000866953989 1036681001 /nfs/dbraw/zinc/68/10/01/1036681001.db2.gz CDZSYSYAGQXDCJ-UHFFFAOYSA-N 1 2 344.465 3.823 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000541869458 1036737917 /nfs/dbraw/zinc/73/79/17/1036737917.db2.gz YHERJVYMJPHZEX-GOSISDBHSA-N 1 2 339.391 3.904 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525379 1036741292 /nfs/dbraw/zinc/74/12/92/1036741292.db2.gz CSEUIYCTGDPZRT-AEFFLSMTSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525379 1036741312 /nfs/dbraw/zinc/74/13/12/1036741312.db2.gz CSEUIYCTGDPZRT-AEFFLSMTSA-N 1 2 333.435 3.540 20 0 EHADLO c1ccc(OC[C@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000541873408 1036743886 /nfs/dbraw/zinc/74/38/86/1036743886.db2.gz DXVQOELHTVFZAD-INIZCTEOSA-N 1 2 335.407 3.638 20 0 EHADLO c1ccc(OC[C@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000541873408 1036743908 /nfs/dbraw/zinc/74/39/08/1036743908.db2.gz DXVQOELHTVFZAD-INIZCTEOSA-N 1 2 335.407 3.638 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)s1 ZINC000541881531 1036758131 /nfs/dbraw/zinc/75/81/31/1036758131.db2.gz BYRIRORPXDRTBJ-ZETCQYMHSA-N 1 2 330.226 3.599 20 0 EHADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000414341407 1036786547 /nfs/dbraw/zinc/78/65/47/1036786547.db2.gz LKBSQJITYUAFQF-VXGBXAGGSA-N 1 2 335.448 3.513 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000162180174 1036789226 /nfs/dbraw/zinc/78/92/26/1036789226.db2.gz OUBOABKJZKIEAM-UHFFFAOYSA-N 1 2 338.455 3.868 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000176258564 1036796918 /nfs/dbraw/zinc/79/69/18/1036796918.db2.gz UQUWFVAQCDVSPS-INIZCTEOSA-N 1 2 341.455 3.881 20 0 EHADLO C[C@H]1COCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000513972308 1036809025 /nfs/dbraw/zinc/80/90/25/1036809025.db2.gz ZXYXXWAELOCONM-CYBMUJFWSA-N 1 2 336.888 3.856 20 0 EHADLO C[C@H]1COCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000513972308 1036809049 /nfs/dbraw/zinc/80/90/49/1036809049.db2.gz ZXYXXWAELOCONM-CYBMUJFWSA-N 1 2 336.888 3.856 20 0 EHADLO CC[C@H](C)[C@H](NCc1[nH+]cc(C)c(OC)c1C)C(=O)OC(C)(C)C ZINC000539492849 1036815371 /nfs/dbraw/zinc/81/53/71/1036815371.db2.gz JNSOWAQIOZAHDO-LRDDRELGSA-N 1 2 336.476 3.553 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000590286569 1036819873 /nfs/dbraw/zinc/81/98/73/1036819873.db2.gz JJWBISQZNRATON-KRWDZBQOSA-N 1 2 346.515 3.802 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)N(Cc1cc(OC)cc(C)[nH+]1)[C@@H]2C ZINC000541922160 1036825168 /nfs/dbraw/zinc/82/51/68/1036825168.db2.gz PPIRFLRGACEBJR-LSDHHAIUSA-N 1 2 326.440 3.915 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCCc3ccncc3)CCO2)cc1Cl ZINC000462322920 1036831644 /nfs/dbraw/zinc/83/16/44/1036831644.db2.gz RTLGPXZXDMOEDP-SFHVURJKSA-N 1 2 334.822 3.880 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCCc3ccncc3)CCO2)cc1Cl ZINC000462322920 1036831665 /nfs/dbraw/zinc/83/16/65/1036831665.db2.gz RTLGPXZXDMOEDP-SFHVURJKSA-N 1 2 334.822 3.880 20 0 EHADLO Cc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c(Cl)c1 ZINC000572965893 1036910293 /nfs/dbraw/zinc/91/02/93/1036910293.db2.gz BCAZXQFAONDLKX-UHFFFAOYSA-N 1 2 345.874 3.864 20 0 EHADLO CCN(Cc1ccccc1Cl)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177757873 1036929481 /nfs/dbraw/zinc/92/94/81/1036929481.db2.gz CJIJPPHOEYKNMN-UHFFFAOYSA-N 1 2 342.830 3.719 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000186722905 1036978170 /nfs/dbraw/zinc/97/81/70/1036978170.db2.gz DUOMRNMUQCCQKE-SWLSCSKDSA-N 1 2 329.366 3.558 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000186722892 1036980089 /nfs/dbraw/zinc/98/00/89/1036980089.db2.gz DUOMRNMUQCCQKE-WFASDCNBSA-N 1 2 329.366 3.558 20 0 EHADLO c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)[nH+]cc1N1CCCCC1 ZINC000539626771 1037003636 /nfs/dbraw/zinc/00/36/36/1037003636.db2.gz VPGCTPJEVUCQQZ-QRQLOZEOSA-N 1 2 327.472 3.832 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590728407 1037006731 /nfs/dbraw/zinc/00/67/31/1037006731.db2.gz SOJSTRABTBCFGE-MRXNPFEDSA-N 1 2 331.847 3.678 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590728405 1037008783 /nfs/dbraw/zinc/00/87/83/1037008783.db2.gz SOJSTRABTBCFGE-INIZCTEOSA-N 1 2 331.847 3.678 20 0 EHADLO CCC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000590711584 1037019238 /nfs/dbraw/zinc/01/92/38/1037019238.db2.gz UECKRWDRWSKGQK-UHFFFAOYSA-N 1 2 349.887 3.631 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CC3)n2)C1 ZINC000590798778 1037063518 /nfs/dbraw/zinc/06/35/18/1037063518.db2.gz NKIWFWQAXLZODJ-BBRMVZONSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CC3)n2)C1 ZINC000590798778 1037063537 /nfs/dbraw/zinc/06/35/37/1037063537.db2.gz NKIWFWQAXLZODJ-BBRMVZONSA-N 1 2 348.516 3.781 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542096540 1037069457 /nfs/dbraw/zinc/06/94/57/1037069457.db2.gz XYYMDZZAVBVZEJ-MAUKXSAKSA-N 1 2 342.405 3.936 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542096540 1037069476 /nfs/dbraw/zinc/06/94/76/1037069476.db2.gz XYYMDZZAVBVZEJ-MAUKXSAKSA-N 1 2 342.405 3.936 20 0 EHADLO CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000178695181 1037078716 /nfs/dbraw/zinc/07/87/16/1037078716.db2.gz VDDNGEABABELJS-MSOLQXFVSA-N 1 2 338.455 3.501 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccc(F)cc1 ZINC000761504848 1037087685 /nfs/dbraw/zinc/08/76/85/1037087685.db2.gz BQBZGLXTZYULRV-UHFFFAOYSA-N 1 2 334.464 3.694 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590871094 1037108933 /nfs/dbraw/zinc/10/89/33/1037108933.db2.gz NEDXWDAJPNEXDI-MOPGFXCFSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2cccc(F)c21 ZINC000761551935 1037126447 /nfs/dbraw/zinc/12/64/47/1037126447.db2.gz NBHXWCFQAJAKSS-UHFFFAOYSA-N 1 2 335.338 3.850 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470953732 1037192527 /nfs/dbraw/zinc/19/25/27/1037192527.db2.gz ROWZXZRDAUWGSM-TZMCWYRMSA-N 1 2 328.378 3.769 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470953732 1037192537 /nfs/dbraw/zinc/19/25/37/1037192537.db2.gz ROWZXZRDAUWGSM-TZMCWYRMSA-N 1 2 328.378 3.769 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccco1 ZINC000008197603 1037192498 /nfs/dbraw/zinc/19/24/98/1037192498.db2.gz BKYDNFJYTDETLW-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccco1 ZINC000008197603 1037192509 /nfs/dbraw/zinc/19/25/09/1037192509.db2.gz BKYDNFJYTDETLW-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000591027698 1037211284 /nfs/dbraw/zinc/21/12/84/1037211284.db2.gz DRCVLZFSNOQUNM-SFHVURJKSA-N 1 2 349.438 3.608 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187114376 1037220649 /nfs/dbraw/zinc/22/06/49/1037220649.db2.gz LZLDVRFJFCPRIL-MJGOQNOKSA-N 1 2 348.450 3.545 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000591122327 1037239754 /nfs/dbraw/zinc/23/97/54/1037239754.db2.gz DNPCBNHAFXTJKM-UHFFFAOYSA-N 1 2 333.435 3.892 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)s1 ZINC000414388534 1037246181 /nfs/dbraw/zinc/24/61/81/1037246181.db2.gz YZUDILFBZRZLQZ-INIZCTEOSA-N 1 2 349.521 3.606 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)s1 ZINC000414388534 1037246192 /nfs/dbraw/zinc/24/61/92/1037246192.db2.gz YZUDILFBZRZLQZ-INIZCTEOSA-N 1 2 349.521 3.606 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000052661443 1037258176 /nfs/dbraw/zinc/25/81/76/1037258176.db2.gz PYULHUKVWFEDHL-UTKZUKDTSA-N 1 2 348.446 3.972 20 0 EHADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1 ZINC000028621764 1037265598 /nfs/dbraw/zinc/26/55/98/1037265598.db2.gz LVKFHEQJHODPCV-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO Cc1oc(C)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1C ZINC000591250207 1037268304 /nfs/dbraw/zinc/26/83/04/1037268304.db2.gz MABYWAFEEBQCJW-AWEZNQCLSA-N 1 2 342.439 3.850 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc2c(c1)OCCO2)CC3 ZINC000591384373 1037362617 /nfs/dbraw/zinc/36/26/17/1037362617.db2.gz VZVBLTASSNUUAR-UHFFFAOYSA-N 1 2 334.419 3.806 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc2c(c1)OCCO2)CC3 ZINC000591384373 1037362636 /nfs/dbraw/zinc/36/26/36/1037362636.db2.gz VZVBLTASSNUUAR-UHFFFAOYSA-N 1 2 334.419 3.806 20 0 EHADLO Cc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)n1 ZINC000230307963 1037362725 /nfs/dbraw/zinc/36/27/25/1037362725.db2.gz ZEBQAHOEGWENBC-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO O=C(CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)NC1CCCC1 ZINC000104724806 1037366124 /nfs/dbraw/zinc/36/61/24/1037366124.db2.gz KXEHBRKAHMFIGI-UHFFFAOYSA-N 1 2 345.874 3.628 20 0 EHADLO O=C(CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)NC1CCCC1 ZINC000104724806 1037366137 /nfs/dbraw/zinc/36/61/37/1037366137.db2.gz KXEHBRKAHMFIGI-UHFFFAOYSA-N 1 2 345.874 3.628 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000303438323 1037407194 /nfs/dbraw/zinc/40/71/94/1037407194.db2.gz AGUHVYFZIQYSFD-SGTLLEGYSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000303438323 1037407203 /nfs/dbraw/zinc/40/72/03/1037407203.db2.gz AGUHVYFZIQYSFD-SGTLLEGYSA-N 1 2 348.368 3.902 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491350520 1037410503 /nfs/dbraw/zinc/41/05/03/1037410503.db2.gz KFHIGQWGSGRFIK-UTCJRWHESA-N 1 2 349.356 3.848 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000573235117 1037423595 /nfs/dbraw/zinc/42/35/95/1037423595.db2.gz KDQHQFWUIUSXKU-UHFFFAOYSA-N 1 2 329.835 3.974 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491423892 1037452541 /nfs/dbraw/zinc/45/25/41/1037452541.db2.gz QDGDKOHPAYNQBQ-SCLBCKFNSA-N 1 2 348.849 3.991 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)NCc1cn2c([nH+]1)CCCC2 ZINC000491479813 1037499360 /nfs/dbraw/zinc/49/93/60/1037499360.db2.gz SWOQEALYSPZHJL-FPLPWBNLSA-N 1 2 349.356 3.568 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1cccc(F)c1 ZINC000177397226 1037512173 /nfs/dbraw/zinc/51/21/73/1037512173.db2.gz MAZHEXXNTKPDRN-HNNXBMFYSA-N 1 2 346.427 3.563 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1cccc(F)c1 ZINC000177397226 1037512188 /nfs/dbraw/zinc/51/21/88/1037512188.db2.gz MAZHEXXNTKPDRN-HNNXBMFYSA-N 1 2 346.427 3.563 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](C)c2ccccc2F)c1C ZINC000171207770 1037516369 /nfs/dbraw/zinc/51/63/69/1037516369.db2.gz KUCAQHMTRQVALL-ZDUSSCGKSA-N 1 2 344.430 3.998 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591593436 1037534655 /nfs/dbraw/zinc/53/46/55/1037534655.db2.gz LFVQHOBOVWFXNT-DLBZAZTESA-N 1 2 332.492 3.932 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3c2cc(F)cc3F)s1 ZINC000591660650 1037536621 /nfs/dbraw/zinc/53/66/21/1037536621.db2.gz RTEOGQFPESDKDG-ISVAXAHUSA-N 1 2 338.379 3.546 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(F)c1 ZINC000532529234 1037550309 /nfs/dbraw/zinc/55/03/09/1037550309.db2.gz HJKCLBZWFWWPDT-GOSISDBHSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(F)c1 ZINC000532529234 1037550318 /nfs/dbraw/zinc/55/03/18/1037550318.db2.gz HJKCLBZWFWWPDT-GOSISDBHSA-N 1 2 327.403 3.613 20 0 EHADLO C[N@@H+](Cc1ccccc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204705 1037606297 /nfs/dbraw/zinc/60/62/97/1037606297.db2.gz ZRHIWBKUURDEGD-UHFFFAOYSA-N 1 2 330.482 3.682 20 0 EHADLO C[N@H+](Cc1ccccc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204705 1037606303 /nfs/dbraw/zinc/60/63/03/1037606303.db2.gz ZRHIWBKUURDEGD-UHFFFAOYSA-N 1 2 330.482 3.682 20 0 EHADLO Fc1cc(Cl)c(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001233439441 1037631403 /nfs/dbraw/zinc/63/14/03/1037631403.db2.gz GOERROVVRHJYHO-KOLCDFICSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1cc(Cl)c(Br)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001233439441 1037631407 /nfs/dbraw/zinc/63/14/07/1037631407.db2.gz GOERROVVRHJYHO-KOLCDFICSA-N 1 2 348.643 3.710 20 0 EHADLO O=C(/C=C/c1cncs1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000493807046 1037645282 /nfs/dbraw/zinc/64/52/82/1037645282.db2.gz XNCABCYCYJXBGT-DUXPYHPUSA-N 1 2 330.800 3.634 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000058207474 1037653285 /nfs/dbraw/zinc/65/32/85/1037653285.db2.gz QRZCIBJOSVCRQG-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000058207474 1037653302 /nfs/dbraw/zinc/65/33/02/1037653302.db2.gz QRZCIBJOSVCRQG-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000913711662 1037657302 /nfs/dbraw/zinc/65/73/02/1037657302.db2.gz CHWMGQYAHRUZQG-DLBZAZTESA-N 1 2 337.448 3.532 20 0 EHADLO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)c1 ZINC000546692611 1037669435 /nfs/dbraw/zinc/66/94/35/1037669435.db2.gz HXPJDJFCEWXWPA-ZDUSSCGKSA-N 1 2 347.484 3.702 20 0 EHADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)s1 ZINC000591849847 1037680130 /nfs/dbraw/zinc/68/01/30/1037680130.db2.gz OLDBVTNFMFMKHX-CYBMUJFWSA-N 1 2 339.505 3.577 20 0 EHADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)s1 ZINC000591849847 1037680137 /nfs/dbraw/zinc/68/01/37/1037680137.db2.gz OLDBVTNFMFMKHX-CYBMUJFWSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1cccc(/C=C\C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000493866602 1037684346 /nfs/dbraw/zinc/68/43/46/1037684346.db2.gz CZLLKNWBQMCOPS-HJWRWDBZSA-N 1 2 349.478 3.947 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132976 1037690271 /nfs/dbraw/zinc/69/02/71/1037690271.db2.gz KGYYBQHTBMIXGU-HZPDHXFCSA-N 1 2 330.472 3.610 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132976 1037690280 /nfs/dbraw/zinc/69/02/80/1037690280.db2.gz KGYYBQHTBMIXGU-HZPDHXFCSA-N 1 2 330.472 3.610 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000913741570 1037708636 /nfs/dbraw/zinc/70/86/36/1037708636.db2.gz UWHKSLLYICKAAA-OAHLLOKOSA-N 1 2 348.443 3.812 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000913741570 1037708654 /nfs/dbraw/zinc/70/86/54/1037708654.db2.gz UWHKSLLYICKAAA-OAHLLOKOSA-N 1 2 348.443 3.812 20 0 EHADLO Cc1ccoc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000493914424 1037708819 /nfs/dbraw/zinc/70/88/19/1037708819.db2.gz AAGCGJVDQQOQHF-GFCCVEGCSA-N 1 2 348.472 3.598 20 0 EHADLO Cc1ccoc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000493914424 1037708827 /nfs/dbraw/zinc/70/88/27/1037708827.db2.gz AAGCGJVDQQOQHF-GFCCVEGCSA-N 1 2 348.472 3.598 20 0 EHADLO CC[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1F ZINC000378050481 1037765422 /nfs/dbraw/zinc/76/54/22/1037765422.db2.gz ASXWMHCJDXGNIT-INIZCTEOSA-N 1 2 348.397 3.728 20 0 EHADLO CC[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1F ZINC000378050481 1037765440 /nfs/dbraw/zinc/76/54/40/1037765440.db2.gz ASXWMHCJDXGNIT-INIZCTEOSA-N 1 2 348.397 3.728 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(C)c2Br)c(N(C)C)[nH+]1 ZINC000152857919 1037767245 /nfs/dbraw/zinc/76/72/45/1037767245.db2.gz HRIMZLDXEZVPTO-UHFFFAOYSA-N 1 2 348.244 3.779 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccsc1 ZINC000128402211 1037835761 /nfs/dbraw/zinc/83/57/61/1037835761.db2.gz JBUCQFHGXUGZFW-JTQLQIEISA-N 1 2 326.824 4.000 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccsc1 ZINC000128402211 1037835783 /nfs/dbraw/zinc/83/57/83/1037835783.db2.gz JBUCQFHGXUGZFW-JTQLQIEISA-N 1 2 326.824 4.000 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c(C)[nH+]1 ZINC000913791077 1037866698 /nfs/dbraw/zinc/86/66/98/1037866698.db2.gz OKLCFHJCMUKISN-INIZCTEOSA-N 1 2 340.471 3.873 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492023585 1037880979 /nfs/dbraw/zinc/88/09/79/1037880979.db2.gz ZHBAXLDUWODNTP-WGXYTZMTSA-N 1 2 349.356 3.685 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000492046642 1037899072 /nfs/dbraw/zinc/89/90/72/1037899072.db2.gz WWNWKYJNPUICHT-GORDUTHDSA-N 1 2 343.736 3.720 20 0 EHADLO C[C@H](CN(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(C)(C)C ZINC000913804996 1037905188 /nfs/dbraw/zinc/90/51/88/1037905188.db2.gz COHKASGWKQHEJV-MRXNPFEDSA-N 1 2 342.487 3.749 20 0 EHADLO CC(C)C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000378107311 1037919539 /nfs/dbraw/zinc/91/95/39/1037919539.db2.gz JRNLHSUMKOZXEZ-KRWDZBQOSA-N 1 2 346.862 3.849 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000120289731 1037928432 /nfs/dbraw/zinc/92/84/32/1037928432.db2.gz YIBMPTLVIRPSLZ-MRXNPFEDSA-N 1 2 345.512 3.594 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(F)c3)CCC2)s1 ZINC000592393138 1037934862 /nfs/dbraw/zinc/93/48/62/1037934862.db2.gz FKLSROKICLPCAQ-NSHDSACASA-N 1 2 334.416 3.799 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000463266448 1037948728 /nfs/dbraw/zinc/94/87/28/1037948728.db2.gz NIDAAUFITKLXMS-MGPUTAFESA-N 1 2 348.450 3.847 20 0 EHADLO Clc1ccc(-c2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2)s1 ZINC000651302519 1037976099 /nfs/dbraw/zinc/97/60/99/1037976099.db2.gz AGBIOESQFOFBKO-UHFFFAOYSA-N 1 2 345.859 3.897 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc(C(C)(C)O)cc1 ZINC000925518966 1038008803 /nfs/dbraw/zinc/00/88/03/1038008803.db2.gz QHJVJNIBIIBOLX-LBPRGKRZSA-N 1 2 333.501 3.914 20 0 EHADLO COc1ccc(OCc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000761589551 1038011586 /nfs/dbraw/zinc/01/15/86/1038011586.db2.gz GDGSAGHCMZSBJX-UHFFFAOYSA-N 1 2 348.362 3.510 20 0 EHADLO Cc1cc(C)c(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC000741027702 1038024170 /nfs/dbraw/zinc/02/41/70/1038024170.db2.gz BLCIKLJKSUOTMS-QGZVFWFLSA-N 1 2 331.456 3.602 20 0 EHADLO C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000106544424 1038101973 /nfs/dbraw/zinc/10/19/73/1038101973.db2.gz GAXGFCUXTLYSAY-MRXNPFEDSA-N 1 2 346.434 3.701 20 0 EHADLO Clc1ccc(-c2ccc(N3CCC(c4c[nH]c[nH+]4)CC3)nn2)s1 ZINC000651325413 1038154121 /nfs/dbraw/zinc/15/41/21/1038154121.db2.gz HKZJMDBUVRVIPC-UHFFFAOYSA-N 1 2 345.859 3.966 20 0 EHADLO CCc1cc(N(Cc2ccccc2)C[C@H](O)c2ccco2)nc(C)[nH+]1 ZINC000180450463 1038177783 /nfs/dbraw/zinc/17/77/83/1038177783.db2.gz JCKLEVQDSQHMIW-SFHVURJKSA-N 1 2 337.423 3.681 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(F)c(F)c(F)c1F ZINC000125236500 1038295493 /nfs/dbraw/zinc/29/54/93/1038295493.db2.gz KMOIITFOGLQYRX-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO CCc1cccc(CC)c1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043340981 1038309779 /nfs/dbraw/zinc/30/97/79/1038309779.db2.gz PGQLOXOJNUAKHP-UHFFFAOYSA-N 1 2 338.455 3.561 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)n[nH]c1C ZINC000125336329 1038314946 /nfs/dbraw/zinc/31/49/46/1038314946.db2.gz XFJGWECEZXWIRQ-UHFFFAOYSA-N 1 2 334.851 3.531 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)n[nH]c1C ZINC000125336329 1038314964 /nfs/dbraw/zinc/31/49/64/1038314964.db2.gz XFJGWECEZXWIRQ-UHFFFAOYSA-N 1 2 334.851 3.531 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181054067 1038326575 /nfs/dbraw/zinc/32/65/75/1038326575.db2.gz SHKNLZQGVOTABA-OAHLLOKOSA-N 1 2 345.443 3.689 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181054067 1038326589 /nfs/dbraw/zinc/32/65/89/1038326589.db2.gz SHKNLZQGVOTABA-OAHLLOKOSA-N 1 2 345.443 3.689 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000436086804 1038341722 /nfs/dbraw/zinc/34/17/22/1038341722.db2.gz BXWSFITWZWYSAY-GFCCVEGCSA-N 1 2 347.488 3.586 20 0 EHADLO CCc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)nc1 ZINC000549409251 1038345243 /nfs/dbraw/zinc/34/52/43/1038345243.db2.gz VAPGBOZNPXBSBU-OAHLLOKOSA-N 1 2 345.437 3.801 20 0 EHADLO C[C@](CO)([NH2+]Cc1cc(C2CC2)no1)c1cccc(C(F)(F)F)c1 ZINC000659938713 1038409332 /nfs/dbraw/zinc/40/93/32/1038409332.db2.gz LHSXXCLIVGRHJG-MRXNPFEDSA-N 1 2 340.345 3.568 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632484 1038440591 /nfs/dbraw/zinc/44/05/91/1038440591.db2.gz LOFDAGGNCSKNQL-LBPRGKRZSA-N 1 2 342.405 3.715 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632484 1038440594 /nfs/dbraw/zinc/44/05/94/1038440594.db2.gz LOFDAGGNCSKNQL-LBPRGKRZSA-N 1 2 342.405 3.715 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c(OC)c1OC ZINC000538731648 1038497337 /nfs/dbraw/zinc/49/73/37/1038497337.db2.gz BYUBKJLOIVBOBB-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)c(OC)c1OC ZINC000538731648 1038497342 /nfs/dbraw/zinc/49/73/42/1038497342.db2.gz BYUBKJLOIVBOBB-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c(C)o1 ZINC000659963877 1038526272 /nfs/dbraw/zinc/52/62/72/1038526272.db2.gz ZXEZCTFAENLWQE-ZDUSSCGKSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)C)c2ccc(F)cc2Cl)cc1 ZINC000108352019 1038538801 /nfs/dbraw/zinc/53/88/01/1038538801.db2.gz LTABEMOFRLJCMN-SFHVURJKSA-N 1 2 334.822 3.555 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc(OC(F)F)c1 ZINC000378423864 1038605925 /nfs/dbraw/zinc/60/59/25/1038605925.db2.gz CKKWLGSJSAJFJA-LLVKDONJSA-N 1 2 346.337 3.584 20 0 EHADLO CSc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1C ZINC000378439199 1038619657 /nfs/dbraw/zinc/61/96/57/1038619657.db2.gz MYZBQVLIOUYJLZ-QGZVFWFLSA-N 1 2 341.480 3.715 20 0 EHADLO CSc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1C ZINC000378439199 1038619662 /nfs/dbraw/zinc/61/96/62/1038619662.db2.gz MYZBQVLIOUYJLZ-QGZVFWFLSA-N 1 2 341.480 3.715 20 0 EHADLO C[C@H](CC(=O)N(C)[C@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000552028563 1038627927 /nfs/dbraw/zinc/62/79/27/1038627927.db2.gz SIJPXXZGQQMGLL-CHWSQXEVSA-N 1 2 328.441 3.664 20 0 EHADLO C[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCO1 ZINC000905313001 1038791100 /nfs/dbraw/zinc/79/11/00/1038791100.db2.gz KHPFVOBEWUDDGZ-KSSFIOAISA-N 1 2 340.423 3.607 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000539377139 1038842876 /nfs/dbraw/zinc/84/28/76/1038842876.db2.gz MPCPXUDZQGWTTI-CYBMUJFWSA-N 1 2 334.822 3.755 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@H](C)O[C@](C)(C(F)F)C3)cc2c1 ZINC000668821763 1038860417 /nfs/dbraw/zinc/86/04/17/1038860417.db2.gz KSZIMTVOQQEPIA-GTNSWQLSSA-N 1 2 325.355 3.686 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@H](C)O[C@](C)(C(F)F)C3)cc2c1 ZINC000668821763 1038860439 /nfs/dbraw/zinc/86/04/39/1038860439.db2.gz KSZIMTVOQQEPIA-GTNSWQLSSA-N 1 2 325.355 3.686 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2ccccc2c1)c1ccco1 ZINC000184549068 1038864825 /nfs/dbraw/zinc/86/48/25/1038864825.db2.gz ITEHLMNNOHKOEO-RDTXWAMCSA-N 1 2 338.407 3.737 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000539380993 1038872606 /nfs/dbraw/zinc/87/26/06/1038872606.db2.gz AYOSYKJZGXRZPE-ZDUSSCGKSA-N 1 2 334.822 3.755 20 0 EHADLO CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000910349083 1038872954 /nfs/dbraw/zinc/87/29/54/1038872954.db2.gz YCHAUFBSQVFYHA-IRXDYDNUSA-N 1 2 334.423 3.594 20 0 EHADLO CC[N@H+](Cc1nc(COC)no1)C(c1ccccc1)c1ccccc1 ZINC000554065319 1038875338 /nfs/dbraw/zinc/87/53/38/1038875338.db2.gz RELPUZGTRCVGQZ-UHFFFAOYSA-N 1 2 337.423 3.828 20 0 EHADLO CC[N@@H+](Cc1nc(COC)no1)C(c1ccccc1)c1ccccc1 ZINC000554065319 1038875365 /nfs/dbraw/zinc/87/53/65/1038875365.db2.gz RELPUZGTRCVGQZ-UHFFFAOYSA-N 1 2 337.423 3.828 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1nnc(C2CCC(F)(F)CC2)o1 ZINC000905427116 1038889936 /nfs/dbraw/zinc/88/99/36/1038889936.db2.gz RVMXVWADMQQRBJ-UHFFFAOYSA-N 1 2 325.363 3.752 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668824007 1038894542 /nfs/dbraw/zinc/89/45/42/1038894542.db2.gz DHEPFXIOAHLBID-INIZCTEOSA-N 1 2 341.789 3.586 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668824007 1038894559 /nfs/dbraw/zinc/89/45/59/1038894559.db2.gz DHEPFXIOAHLBID-INIZCTEOSA-N 1 2 341.789 3.586 20 0 EHADLO c1cc(-c2nc(CNc3ccc(N4CCCC4)c[nH+]3)cs2)cs1 ZINC000552068932 1038935524 /nfs/dbraw/zinc/93/55/24/1038935524.db2.gz VAWHHDIGDMVMCC-UHFFFAOYSA-N 1 2 342.493 3.901 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000570036161 1038938460 /nfs/dbraw/zinc/93/84/60/1038938460.db2.gz KGHUADMKAFSANH-KBPBESRZSA-N 1 2 344.459 3.720 20 0 EHADLO C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162838944 1038945971 /nfs/dbraw/zinc/94/59/71/1038945971.db2.gz BJBZMHIPONOMLO-NSHDSACASA-N 1 2 343.333 3.761 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC1(C)C ZINC000416738297 1038961592 /nfs/dbraw/zinc/96/15/92/1038961592.db2.gz QEWRTWROFCUTHP-ZWKOTPCHSA-N 1 2 346.519 3.910 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)n2)s1 ZINC000668469144 1038982726 /nfs/dbraw/zinc/98/27/26/1038982726.db2.gz FWOROTJIAAECDD-GHMZBOCLSA-N 1 2 344.465 3.656 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931688 1038997779 /nfs/dbraw/zinc/99/77/79/1038997779.db2.gz DJLBRAUMBRJYLJ-LPMFXHHGSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931688 1038997796 /nfs/dbraw/zinc/99/77/96/1038997796.db2.gz DJLBRAUMBRJYLJ-LPMFXHHGSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000554211090 1039048978 /nfs/dbraw/zinc/04/89/78/1039048978.db2.gz SCBPBHYGFTYTBU-VLIAUNLRSA-N 1 2 340.492 3.935 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000554211090 1039048999 /nfs/dbraw/zinc/04/89/99/1039048999.db2.gz SCBPBHYGFTYTBU-VLIAUNLRSA-N 1 2 340.492 3.935 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000185292817 1039068179 /nfs/dbraw/zinc/06/81/79/1039068179.db2.gz PQJOYPXVIGOHPF-AWEZNQCLSA-N 1 2 338.791 3.881 20 0 EHADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000910818330 1039093717 /nfs/dbraw/zinc/09/37/17/1039093717.db2.gz QXQPQJCJSVZBBY-ZIAGYGMSSA-N 1 2 337.345 3.596 20 0 EHADLO Fc1ccc(F)c(CC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)c1 ZINC000567214970 1039121882 /nfs/dbraw/zinc/12/18/82/1039121882.db2.gz YBXDWWUSIYQGDO-UHFFFAOYSA-N 1 2 333.382 3.680 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000067400669 1039124234 /nfs/dbraw/zinc/12/42/34/1039124234.db2.gz UABVUGZSWWXESL-KRWDZBQOSA-N 1 2 349.862 3.792 20 0 EHADLO Cc1cc(C)c(C[N@@H+]2CCOCC23CC3)c(OCc2ccccc2)n1 ZINC000554262343 1039132579 /nfs/dbraw/zinc/13/25/79/1039132579.db2.gz BWINJIQZWOQTPT-UHFFFAOYSA-N 1 2 338.451 3.642 20 0 EHADLO Cc1cc(C)c(C[N@H+]2CCOCC23CC3)c(OCc2ccccc2)n1 ZINC000554262343 1039132587 /nfs/dbraw/zinc/13/25/87/1039132587.db2.gz BWINJIQZWOQTPT-UHFFFAOYSA-N 1 2 338.451 3.642 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)O[C@H](C)C2 ZINC000552282597 1039132800 /nfs/dbraw/zinc/13/28/00/1039132800.db2.gz GRNIBIWBEOXZEI-JLTOFOAXSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)O[C@H](C)C2 ZINC000552282597 1039132813 /nfs/dbraw/zinc/13/28/13/1039132813.db2.gz GRNIBIWBEOXZEI-JLTOFOAXSA-N 1 2 338.451 3.997 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000552299681 1039170195 /nfs/dbraw/zinc/17/01/95/1039170195.db2.gz KTFZKEFLSBLDOK-AWEZNQCLSA-N 1 2 331.334 3.501 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000552299681 1039170202 /nfs/dbraw/zinc/17/02/02/1039170202.db2.gz KTFZKEFLSBLDOK-AWEZNQCLSA-N 1 2 331.334 3.501 20 0 EHADLO C[C@H](c1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503493 1039178678 /nfs/dbraw/zinc/17/86/78/1039178678.db2.gz MGEBPJFNPVKFFH-DOMZBBRYSA-N 1 2 346.368 3.516 20 0 EHADLO C[C@H](c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503493 1039178685 /nfs/dbraw/zinc/17/86/85/1039178685.db2.gz MGEBPJFNPVKFFH-DOMZBBRYSA-N 1 2 346.368 3.516 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000614057696 1039219780 /nfs/dbraw/zinc/21/97/80/1039219780.db2.gz ZSZSKBXGKSSEBR-GUDVDZBRSA-N 1 2 343.430 3.702 20 0 EHADLO C[N@@H+](Cc1nnc(C(F)(F)F)s1)C[C@@H]1CCc2ccccc21 ZINC000662197899 1039240607 /nfs/dbraw/zinc/24/06/07/1039240607.db2.gz WFSKGKMJMCCVMF-NSHDSACASA-N 1 2 327.375 3.719 20 0 EHADLO C[N@H+](Cc1nnc(C(F)(F)F)s1)C[C@@H]1CCc2ccccc21 ZINC000662197899 1039240626 /nfs/dbraw/zinc/24/06/26/1039240626.db2.gz WFSKGKMJMCCVMF-NSHDSACASA-N 1 2 327.375 3.719 20 0 EHADLO C=Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1 ZINC000906060842 1039271553 /nfs/dbraw/zinc/27/15/53/1039271553.db2.gz BZNPDNQWTGZVPM-UHFFFAOYSA-N 1 2 342.464 3.854 20 0 EHADLO C=Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1 ZINC000906060842 1039271565 /nfs/dbraw/zinc/27/15/65/1039271565.db2.gz BZNPDNQWTGZVPM-UHFFFAOYSA-N 1 2 342.464 3.854 20 0 EHADLO COCc1noc2c1C[N@H+](Cc1c[nH]c3ccc(Cl)cc13)CC2 ZINC001137711231 1039293474 /nfs/dbraw/zinc/29/34/74/1039293474.db2.gz MGQQMGZWRNGLTJ-UHFFFAOYSA-N 1 2 331.803 3.514 20 0 EHADLO COCc1noc2c1C[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)CC2 ZINC001137711231 1039293478 /nfs/dbraw/zinc/29/34/78/1039293478.db2.gz MGQQMGZWRNGLTJ-UHFFFAOYSA-N 1 2 331.803 3.514 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)oc1C ZINC000432807711 1039311350 /nfs/dbraw/zinc/31/13/50/1039311350.db2.gz FWIJSMGWRDVIKP-PEBVRCNWSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)oc1C ZINC000432807711 1039311371 /nfs/dbraw/zinc/31/13/71/1039311371.db2.gz FWIJSMGWRDVIKP-PEBVRCNWSA-N 1 2 349.452 3.959 20 0 EHADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726102 1039347349 /nfs/dbraw/zinc/34/73/49/1039347349.db2.gz NEZKABSDWRMPQP-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726102 1039347367 /nfs/dbraw/zinc/34/73/67/1039347367.db2.gz NEZKABSDWRMPQP-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO CC1(C)CC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000667315540 1039350948 /nfs/dbraw/zinc/35/09/48/1039350948.db2.gz AAEFFLHZJWZBJB-ZWKOTPCHSA-N 1 2 338.455 3.600 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464270 1039360072 /nfs/dbraw/zinc/36/00/72/1039360072.db2.gz JDZBAUCZGYEDPN-INIZCTEOSA-N 1 2 349.438 3.826 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCOC[C@H](C2CCC2)C1 ZINC000488728331 1039370892 /nfs/dbraw/zinc/37/08/92/1039370892.db2.gz BYSDFLDOYSOBCT-MRXNPFEDSA-N 1 2 326.440 3.805 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)Cc1ccco1 ZINC000051563451 1039387503 /nfs/dbraw/zinc/38/75/03/1039387503.db2.gz PJEYVRCXLBFDMJ-AWEZNQCLSA-N 1 2 326.396 3.677 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000051563451 1039387520 /nfs/dbraw/zinc/38/75/20/1039387520.db2.gz PJEYVRCXLBFDMJ-AWEZNQCLSA-N 1 2 326.396 3.677 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000667657353 1039401450 /nfs/dbraw/zinc/40/14/50/1039401450.db2.gz HTDUTEHZUUIYRN-UHFFFAOYSA-N 1 2 341.352 3.958 20 0 EHADLO c1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nnn1C1CC1 ZINC000906252206 1039410628 /nfs/dbraw/zinc/41/06/28/1039410628.db2.gz DLAMQKTWNKUZLX-UHFFFAOYSA-N 1 2 339.468 3.602 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@H+](Cc3cn(C4CC4)nn3)C2)c1 ZINC000906304931 1039461604 /nfs/dbraw/zinc/46/16/04/1039461604.db2.gz XWYMJLHAPZEULS-INIZCTEOSA-N 1 2 334.876 3.633 20 0 EHADLO Clc1cccc(S[C@H]2CC[N@@H+](Cc3cn(C4CC4)nn3)C2)c1 ZINC000906304931 1039461613 /nfs/dbraw/zinc/46/16/13/1039461613.db2.gz XWYMJLHAPZEULS-INIZCTEOSA-N 1 2 334.876 3.633 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543809 1039464661 /nfs/dbraw/zinc/46/46/61/1039464661.db2.gz MVGKCQUBLKXVQZ-INIZCTEOSA-N 1 2 327.432 3.513 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000554556790 1039471616 /nfs/dbraw/zinc/47/16/16/1039471616.db2.gz XZCVOVLOCUOXOC-WMLDXEAASA-N 1 2 342.491 3.899 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2ccccc2o1 ZINC000364041218 1039485592 /nfs/dbraw/zinc/48/55/92/1039485592.db2.gz XECNHMFDDZLKTG-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO CCCC[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000500849596 1039585483 /nfs/dbraw/zinc/58/54/83/1039585483.db2.gz ILKXEOLUGMSLBQ-DLBZAZTESA-N 1 2 332.488 3.727 20 0 EHADLO FC(F)(F)CN1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000552907167 1039607906 /nfs/dbraw/zinc/60/79/06/1039607906.db2.gz VTOVGXMGXZIUJU-UHFFFAOYSA-N 1 2 329.753 3.573 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)cc(C)nc2C)n1 ZINC000911965265 1039613894 /nfs/dbraw/zinc/61/38/94/1039613894.db2.gz XTBKICMMVIKWHX-UHFFFAOYSA-N 1 2 332.473 3.557 20 0 EHADLO COc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(Cl)c1 ZINC000554725973 1039630934 /nfs/dbraw/zinc/63/09/34/1039630934.db2.gz PIWPZCDVSJLBMX-GOSISDBHSA-N 1 2 336.838 3.880 20 0 EHADLO CC1(C)C[C@@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C(C)(C)O1 ZINC000893730437 1039649112 /nfs/dbraw/zinc/64/91/12/1039649112.db2.gz FVIULXYCZATAJD-KRWDZBQOSA-N 1 2 342.439 3.682 20 0 EHADLO CCc1nc2cc(CNc3nccn4c[nH+]cc34)ccc2n1C1CC1 ZINC000893723692 1039652256 /nfs/dbraw/zinc/65/22/56/1039652256.db2.gz PMOYYRFXEPWNKU-UHFFFAOYSA-N 1 2 332.411 3.588 20 0 EHADLO COc1c(F)cccc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001143533786 1039691551 /nfs/dbraw/zinc/69/15/51/1039691551.db2.gz JOFCHMYEBMQXMD-MRXNPFEDSA-N 1 2 342.405 3.530 20 0 EHADLO CC(C)(CNC(=O)C1(c2ccc(F)cc2F)CCCC1)n1cc[nH+]c1 ZINC000898910908 1039700414 /nfs/dbraw/zinc/70/04/14/1039700414.db2.gz BDMPRYKTOPHBON-UHFFFAOYSA-N 1 2 347.409 3.525 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143536732 1039705421 /nfs/dbraw/zinc/70/54/21/1039705421.db2.gz GNERTHAUNMEJLL-CQSZACIVSA-N 1 2 329.297 3.691 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143536732 1039705435 /nfs/dbraw/zinc/70/54/35/1039705435.db2.gz GNERTHAUNMEJLL-CQSZACIVSA-N 1 2 329.297 3.691 20 0 EHADLO CC(C)(c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)C1CCOCC1 ZINC000554804710 1039731515 /nfs/dbraw/zinc/73/15/15/1039731515.db2.gz YQZKCAYBULHWKO-UHFFFAOYSA-N 1 2 338.411 3.627 20 0 EHADLO Cc1cccc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000489242943 1039748172 /nfs/dbraw/zinc/74/81/72/1039748172.db2.gz UZASKPPLJYJUBA-RDJZCZTQSA-N 1 2 328.460 3.667 20 0 EHADLO CC1(C)CC[N@H+](CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000553084567 1039751413 /nfs/dbraw/zinc/75/14/13/1039751413.db2.gz PSHWFWCGMSZWCL-UHFFFAOYSA-N 1 2 336.435 3.588 20 0 EHADLO CC1(C)CC[N@@H+](CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000553084567 1039751429 /nfs/dbraw/zinc/75/14/29/1039751429.db2.gz PSHWFWCGMSZWCL-UHFFFAOYSA-N 1 2 336.435 3.588 20 0 EHADLO Cc1cc(N[C@@H](C)c2noc(COC(C)C)n2)nc(C2CCC2)[nH+]1 ZINC000893923629 1039831544 /nfs/dbraw/zinc/83/15/44/1039831544.db2.gz NNXLTPPVVBIZBV-LBPRGKRZSA-N 1 2 331.420 3.534 20 0 EHADLO O=c1oc2ccc(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)cc2o1 ZINC000893928651 1039841574 /nfs/dbraw/zinc/84/15/74/1039841574.db2.gz BQQLQQYMCHVPHS-UHFFFAOYSA-N 1 2 331.318 3.829 20 0 EHADLO O=c1oc2ccc(C[N@H+](Cc3ccc(F)cc3F)C3CC3)cc2o1 ZINC000893928651 1039841593 /nfs/dbraw/zinc/84/15/93/1039841593.db2.gz BQQLQQYMCHVPHS-UHFFFAOYSA-N 1 2 331.318 3.829 20 0 EHADLO Cc1nc(-c2cccc(CNC(=O)C[C@H](C)n3cc[nH+]c3)c2)cs1 ZINC000898999263 1039863530 /nfs/dbraw/zinc/86/35/30/1039863530.db2.gz GSZBAAVYYYVMFG-ZDUSSCGKSA-N 1 2 340.452 3.583 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000628531110 1039867743 /nfs/dbraw/zinc/86/77/43/1039867743.db2.gz YMABLMSJTLYZKD-GFCCVEGCSA-N 1 2 349.631 3.664 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000628531110 1039867766 /nfs/dbraw/zinc/86/77/66/1039867766.db2.gz YMABLMSJTLYZKD-GFCCVEGCSA-N 1 2 349.631 3.664 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893967466 1039898214 /nfs/dbraw/zinc/89/82/14/1039898214.db2.gz MJTTXCUAEOOLRK-INIZCTEOSA-N 1 2 349.390 3.610 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893967466 1039898238 /nfs/dbraw/zinc/89/82/38/1039898238.db2.gz MJTTXCUAEOOLRK-INIZCTEOSA-N 1 2 349.390 3.610 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000554883859 1039906755 /nfs/dbraw/zinc/90/67/55/1039906755.db2.gz DMDRFBXMVRIRDT-SNVBAGLBSA-N 1 2 335.675 3.714 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000554883859 1039906767 /nfs/dbraw/zinc/90/67/67/1039906767.db2.gz DMDRFBXMVRIRDT-SNVBAGLBSA-N 1 2 335.675 3.714 20 0 EHADLO OC[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)Cc1ccc(F)c(F)c1 ZINC000553244824 1039909981 /nfs/dbraw/zinc/90/99/81/1039909981.db2.gz AYSYYKJABQPOPV-LLVKDONJSA-N 1 2 346.299 3.642 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479114124 1039959554 /nfs/dbraw/zinc/95/95/54/1039959554.db2.gz FQRHFZDWRSQXHI-CJNGLKHVSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479114124 1039959568 /nfs/dbraw/zinc/95/95/68/1039959568.db2.gz FQRHFZDWRSQXHI-CJNGLKHVSA-N 1 2 330.378 3.609 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)co1 ZINC000894033181 1039986822 /nfs/dbraw/zinc/98/68/22/1039986822.db2.gz CPQKDFWJBVXBDW-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)co1 ZINC000894033181 1039986843 /nfs/dbraw/zinc/98/68/43/1039986843.db2.gz CPQKDFWJBVXBDW-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567504116 1040011962 /nfs/dbraw/zinc/01/19/62/1040011962.db2.gz BPAPAVRMKTWZQA-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567504118 1040013086 /nfs/dbraw/zinc/01/30/86/1040013086.db2.gz BPAPAVRMKTWZQA-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cc(OC)ccc1Cl ZINC000489476307 1040018537 /nfs/dbraw/zinc/01/85/37/1040018537.db2.gz HTYXVMDMPBZOEW-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cc(OC)ccc1Cl ZINC000489476307 1040018551 /nfs/dbraw/zinc/01/85/51/1040018551.db2.gz HTYXVMDMPBZOEW-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000553384980 1040036396 /nfs/dbraw/zinc/03/63/96/1040036396.db2.gz YSGJSFODNUQBJR-WBVHZDCISA-N 1 2 340.496 3.617 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000553384980 1040036413 /nfs/dbraw/zinc/03/64/13/1040036413.db2.gz YSGJSFODNUQBJR-WBVHZDCISA-N 1 2 340.496 3.617 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000907425640 1040054674 /nfs/dbraw/zinc/05/46/74/1040054674.db2.gz BFKFFIVMKNLRDO-CQSZACIVSA-N 1 2 339.464 3.648 20 0 EHADLO C[C@H](CC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000584842844 1040059684 /nfs/dbraw/zinc/05/96/84/1040059684.db2.gz HZTBDHZWXZXFNY-WIYYLYMNSA-N 1 2 347.462 3.977 20 0 EHADLO C[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000584842841 1040060582 /nfs/dbraw/zinc/06/05/82/1040060582.db2.gz HZTBDHZWXZXFNY-GHTZIAJQSA-N 1 2 347.462 3.977 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000480901233 1040133197 /nfs/dbraw/zinc/13/31/97/1040133197.db2.gz SOWREJUYQAFLML-VIFPVBQESA-N 1 2 325.733 3.929 20 0 EHADLO COc1cccc(SC)c1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000417669591 1040147289 /nfs/dbraw/zinc/14/72/89/1040147289.db2.gz LZTLHHQLXOKJBC-GFCCVEGCSA-N 1 2 346.456 3.552 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(=O)C2CCC2)cc1)Cc1ccccc1 ZINC000489708824 1040148406 /nfs/dbraw/zinc/14/84/06/1040148406.db2.gz XMLCGLRVBGSWPL-UHFFFAOYSA-N 1 2 336.435 3.740 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(=O)C2CCC2)cc1)Cc1ccccc1 ZINC000489708824 1040148414 /nfs/dbraw/zinc/14/84/14/1040148414.db2.gz XMLCGLRVBGSWPL-UHFFFAOYSA-N 1 2 336.435 3.740 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc(C)n(C)n2)c2ccc(F)cc2)cc1 ZINC000486461302 1040162798 /nfs/dbraw/zinc/16/27/98/1040162798.db2.gz PIUWJFJPQDEDIV-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC000907782172 1040169795 /nfs/dbraw/zinc/16/97/95/1040169795.db2.gz XACJKWAAKKGNAI-KRWDZBQOSA-N 1 2 346.434 3.502 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000432922705 1040184880 /nfs/dbraw/zinc/18/48/80/1040184880.db2.gz PEBCIAGTRGIJOC-GLQYFDAESA-N 1 2 329.362 3.883 20 0 EHADLO CC[N@H+](Cc1ccccc1C(=O)N(C)C)Cc1c(F)cccc1F ZINC000417763531 1040221983 /nfs/dbraw/zinc/22/19/83/1040221983.db2.gz NKZONDDYFIDHGG-UHFFFAOYSA-N 1 2 332.394 3.689 20 0 EHADLO CC[N@@H+](Cc1ccccc1C(=O)N(C)C)Cc1c(F)cccc1F ZINC000417763531 1040222001 /nfs/dbraw/zinc/22/20/01/1040222001.db2.gz NKZONDDYFIDHGG-UHFFFAOYSA-N 1 2 332.394 3.689 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(CO)on2)ccc1OCC(C)C ZINC000924815771 1040257031 /nfs/dbraw/zinc/25/70/31/1040257031.db2.gz RFZFOLKOZTVGGP-ZIAGYGMSSA-N 1 2 348.443 3.622 20 0 EHADLO CCC[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000669019356 1040258825 /nfs/dbraw/zinc/25/88/25/1040258825.db2.gz UENIBLNVJCQJAF-RHSMWYFYSA-N 1 2 333.863 3.873 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291523 1040263679 /nfs/dbraw/zinc/26/36/79/1040263679.db2.gz ZSFKZLYHAOQRMT-HNNXBMFYSA-N 1 2 328.460 3.555 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553639227 1040266965 /nfs/dbraw/zinc/26/69/65/1040266965.db2.gz ZGYWBGZEAMKQQK-LJQANCHMSA-N 1 2 348.450 3.780 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490025850 1040294391 /nfs/dbraw/zinc/29/43/91/1040294391.db2.gz OFWCAPQURVIYNJ-ZDUSSCGKSA-N 1 2 336.501 3.543 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490025850 1040294409 /nfs/dbraw/zinc/29/44/09/1040294409.db2.gz OFWCAPQURVIYNJ-ZDUSSCGKSA-N 1 2 336.501 3.543 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000908130294 1040304915 /nfs/dbraw/zinc/30/49/15/1040304915.db2.gz BKNIUZSSEPBCBZ-WBVHZDCISA-N 1 2 339.439 3.502 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000477651369 1040395865 /nfs/dbraw/zinc/39/58/65/1040395865.db2.gz RRJGNEGRHZHGET-DOTOQJQBSA-N 1 2 329.444 3.935 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000477651369 1040395883 /nfs/dbraw/zinc/39/58/83/1040395883.db2.gz RRJGNEGRHZHGET-DOTOQJQBSA-N 1 2 329.444 3.935 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cnc(C(C)(C)C)nc3)ccc21 ZINC000575833974 1040398464 /nfs/dbraw/zinc/39/84/64/1040398464.db2.gz LPNVGVUHIMZTTH-UHFFFAOYSA-N 1 2 349.438 3.641 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1OC(F)F ZINC000486759398 1040414808 /nfs/dbraw/zinc/41/48/08/1040414808.db2.gz HNMPPFXUGGEBDP-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000486772731 1040427365 /nfs/dbraw/zinc/42/73/65/1040427365.db2.gz OCRWKONJCUMEHV-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000486772731 1040427374 /nfs/dbraw/zinc/42/73/74/1040427374.db2.gz OCRWKONJCUMEHV-UHFFFAOYSA-N 1 2 344.480 3.767 20 0 EHADLO Cc1ccc(-n2cnc3c2CCN(c2cc(C)[nH+]c(C(C)C)n2)C3)cc1 ZINC000486785649 1040445581 /nfs/dbraw/zinc/44/55/81/1040445581.db2.gz CTULRZOGBHLDTA-UHFFFAOYSA-N 1 2 347.466 3.965 20 0 EHADLO CC(C)C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)n1cc[nH+]c1 ZINC000899420626 1040480353 /nfs/dbraw/zinc/48/03/53/1040480353.db2.gz OIIMKMJFUYHDNO-DZKIICNBSA-N 1 2 343.393 3.661 20 0 EHADLO CC[C@@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(C)cc1 ZINC000411133561 1040480904 /nfs/dbraw/zinc/48/09/04/1040480904.db2.gz ZPAWTGXLSVVONR-QGZVFWFLSA-N 1 2 339.439 3.521 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000500100839 1040500507 /nfs/dbraw/zinc/50/05/07/1040500507.db2.gz UYPLFCLVWHXFRX-MRXNPFEDSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000500100839 1040500531 /nfs/dbraw/zinc/50/05/31/1040500531.db2.gz UYPLFCLVWHXFRX-MRXNPFEDSA-N 1 2 331.378 3.751 20 0 EHADLO CC(C)CNC(=S)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000912969409 1040511627 /nfs/dbraw/zinc/51/16/27/1040511627.db2.gz UZKUJZZSBIXXMP-AWEZNQCLSA-N 1 2 339.936 3.549 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cn1 ZINC000364230917 1040526523 /nfs/dbraw/zinc/52/65/23/1040526523.db2.gz UYDGRQCRWNILPK-KRWDZBQOSA-N 1 2 341.846 3.801 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cn1 ZINC000364230917 1040526542 /nfs/dbraw/zinc/52/65/42/1040526542.db2.gz UYDGRQCRWNILPK-KRWDZBQOSA-N 1 2 341.846 3.801 20 0 EHADLO COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3cnoc3C)n2)c1 ZINC000364234372 1040528722 /nfs/dbraw/zinc/52/87/22/1040528722.db2.gz KTNRYECHWYAYRG-GOSISDBHSA-N 1 2 338.411 3.719 20 0 EHADLO COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3cnoc3C)n2)c1 ZINC000364234372 1040528738 /nfs/dbraw/zinc/52/87/38/1040528738.db2.gz KTNRYECHWYAYRG-GOSISDBHSA-N 1 2 338.411 3.719 20 0 EHADLO C[C@H](SCc1c[nH+]cn1Cc1ccccc1)C(=O)OC(C)(C)C ZINC000479704948 1040548597 /nfs/dbraw/zinc/54/85/97/1040548597.db2.gz KMGQXYRJUAKSQM-AWEZNQCLSA-N 1 2 332.469 3.895 20 0 EHADLO Cc1cc(Br)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000343860656 1040568996 /nfs/dbraw/zinc/56/89/96/1040568996.db2.gz MJWUHPSTDXOOBP-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1cc(Br)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000343860656 1040569009 /nfs/dbraw/zinc/56/90/09/1040569009.db2.gz MJWUHPSTDXOOBP-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000418103753 1040591191 /nfs/dbraw/zinc/59/11/91/1040591191.db2.gz WQQNMTRCURGGQH-UHFFFAOYSA-N 1 2 342.283 3.644 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000151170880 1040634644 /nfs/dbraw/zinc/63/46/44/1040634644.db2.gz DRBHSPHWCGPVRO-IYBDPMFKSA-N 1 2 343.500 3.575 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000151170880 1040634651 /nfs/dbraw/zinc/63/46/51/1040634651.db2.gz DRBHSPHWCGPVRO-IYBDPMFKSA-N 1 2 343.500 3.575 20 0 EHADLO Cc1cccnc1CCCNc1nc(C)[nH+]c(C)c1Br ZINC000663966240 1040648528 /nfs/dbraw/zinc/64/85/28/1040648528.db2.gz TZDRRUQWCQZPCH-UHFFFAOYSA-N 1 2 335.249 3.604 20 0 EHADLO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487044639 1040679932 /nfs/dbraw/zinc/67/99/32/1040679932.db2.gz RFCDZMMZPWFADP-FQEVSTJZSA-N 1 2 349.434 3.655 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)n1 ZINC000600128545 1040695195 /nfs/dbraw/zinc/69/51/95/1040695195.db2.gz CVIYRPKMHQNUOJ-LLVKDONJSA-N 1 2 336.794 3.902 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@@]1(C)CO ZINC000668736804 1040702285 /nfs/dbraw/zinc/70/22/85/1040702285.db2.gz HHIDMPFTDCFHQQ-PELKAZGASA-N 1 2 338.698 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@@]1(C)CO ZINC000668736804 1040702300 /nfs/dbraw/zinc/70/23/00/1040702300.db2.gz HHIDMPFTDCFHQQ-PELKAZGASA-N 1 2 338.698 3.614 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248367374 1040741271 /nfs/dbraw/zinc/74/12/71/1040741271.db2.gz TYSRVLIJPFOSHX-IJLUTSLNSA-N 1 2 325.250 3.506 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248367374 1040741257 /nfs/dbraw/zinc/74/12/57/1040741257.db2.gz TYSRVLIJPFOSHX-IJLUTSLNSA-N 1 2 325.250 3.506 20 0 EHADLO C[S@@](=O)CC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000828037350 1040759278 /nfs/dbraw/zinc/75/92/78/1040759278.db2.gz ZZJCYSJCKAKTNJ-XMSQKQJNSA-N 1 2 333.884 3.818 20 0 EHADLO C[S@@](=O)CC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000828037350 1040759293 /nfs/dbraw/zinc/75/92/93/1040759293.db2.gz ZZJCYSJCKAKTNJ-XMSQKQJNSA-N 1 2 333.884 3.818 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000192260773 1040776327 /nfs/dbraw/zinc/77/63/27/1040776327.db2.gz MZILJDXIFWDKTP-WUKNDPDISA-N 1 2 325.456 3.788 20 0 EHADLO CC(C)=CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001167750277 1040776854 /nfs/dbraw/zinc/77/68/54/1040776854.db2.gz ZBYIJEYHLDFHNI-UHFFFAOYSA-N 1 2 327.255 3.717 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc2ncccc21 ZINC000433119827 1040785014 /nfs/dbraw/zinc/78/50/14/1040785014.db2.gz HPCPLWDTXYHYAU-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000151349363 1040798466 /nfs/dbraw/zinc/79/84/66/1040798466.db2.gz ILVHUTDZMRERJJ-UHFFFAOYSA-N 1 2 343.818 3.635 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000509783580 1040814050 /nfs/dbraw/zinc/81/40/50/1040814050.db2.gz QWPWQFOFUVZWNK-INIZCTEOSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000509783580 1040814065 /nfs/dbraw/zinc/81/40/65/1040814065.db2.gz QWPWQFOFUVZWNK-INIZCTEOSA-N 1 2 347.480 3.947 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCNc1cccc[nH+]1)CC2 ZINC000429858595 1040830138 /nfs/dbraw/zinc/83/01/38/1040830138.db2.gz NAUCDKCOGPEIHF-SFHVURJKSA-N 1 2 338.455 3.604 20 0 EHADLO CC[C@H](C(=O)N1CCCCC[C@@H]1c1ccco1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555559638 1040830450 /nfs/dbraw/zinc/83/04/50/1040830450.db2.gz QYYBFJSMFVSQGH-KZNAEPCWSA-N 1 2 348.487 3.613 20 0 EHADLO CC[C@H](C(=O)N1CCCCC[C@@H]1c1ccco1)[N@H+]1CCO[C@H](CC)C1 ZINC000555559638 1040830461 /nfs/dbraw/zinc/83/04/61/1040830461.db2.gz QYYBFJSMFVSQGH-KZNAEPCWSA-N 1 2 348.487 3.613 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000491007033 1040855433 /nfs/dbraw/zinc/85/54/33/1040855433.db2.gz XVJPKAGFBMBWQR-AWEZNQCLSA-N 1 2 335.411 3.601 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000668769082 1040857959 /nfs/dbraw/zinc/85/79/59/1040857959.db2.gz WCZQOKABVRIFNT-SWLSCSKDSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000668769082 1040857969 /nfs/dbraw/zinc/85/79/69/1040857969.db2.gz WCZQOKABVRIFNT-SWLSCSKDSA-N 1 2 339.361 3.618 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000138749251 1040889238 /nfs/dbraw/zinc/88/92/38/1040889238.db2.gz HUTDTJQQJMDHMA-UHFFFAOYSA-N 1 2 331.759 3.620 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2c(Cl)ccc3cccnc32)CCCC1 ZINC000512777484 1040890483 /nfs/dbraw/zinc/89/04/83/1040890483.db2.gz FHMDAMJPTGAUEW-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CCCC1 ZINC000512777484 1040890496 /nfs/dbraw/zinc/89/04/96/1040890496.db2.gz FHMDAMJPTGAUEW-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NCCn1cc[nH+]c1 ZINC000067182121 1040918483 /nfs/dbraw/zinc/91/84/83/1040918483.db2.gz FKAUYMWIIBLUCS-VURMDHGXSA-N 1 2 341.411 3.580 20 0 EHADLO CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000487597561 1040981286 /nfs/dbraw/zinc/98/12/86/1040981286.db2.gz RBSKZDSFZNXKRM-UHFFFAOYSA-N 1 2 342.786 3.507 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000054731605 1040985987 /nfs/dbraw/zinc/98/59/87/1040985987.db2.gz NQZDOESZOHEHNT-CQSZACIVSA-N 1 2 349.525 3.706 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586748978 1040994827 /nfs/dbraw/zinc/99/48/27/1040994827.db2.gz RRERYSLKKMVZHH-UHFFFAOYSA-N 1 2 347.422 3.584 20 0 EHADLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000586753652 1040999453 /nfs/dbraw/zinc/99/94/53/1040999453.db2.gz CPXSNQALJQHZCI-GFCCVEGCSA-N 1 2 340.254 3.890 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433192171 1041031928 /nfs/dbraw/zinc/03/19/28/1041031928.db2.gz KBZWVVLHPWBORF-HIFRSBDPSA-N 1 2 344.546 3.585 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433192171 1041031942 /nfs/dbraw/zinc/03/19/42/1041031942.db2.gz KBZWVVLHPWBORF-HIFRSBDPSA-N 1 2 344.546 3.585 20 0 EHADLO FC(F)(F)Cc1nnc([C@H]2CCCC[N@@H+]2CCOCC2CCC2)o1 ZINC000419283438 1041077165 /nfs/dbraw/zinc/07/71/65/1041077165.db2.gz RTSYUBABCGWCBN-CYBMUJFWSA-N 1 2 347.381 3.518 20 0 EHADLO FC(F)(F)Cc1nnc([C@H]2CCCC[N@H+]2CCOCC2CCC2)o1 ZINC000419283438 1041077178 /nfs/dbraw/zinc/07/71/78/1041077178.db2.gz RTSYUBABCGWCBN-CYBMUJFWSA-N 1 2 347.381 3.518 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481585241 1041100461 /nfs/dbraw/zinc/10/04/61/1041100461.db2.gz MHUZPPUNSUGMBP-SAABIXHNSA-N 1 2 335.382 3.687 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)s1 ZINC000652070479 1041111181 /nfs/dbraw/zinc/11/11/81/1041111181.db2.gz YOYGXHRZJTXJIW-BZSNNMDCSA-N 1 2 344.480 3.784 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)s1 ZINC000652070479 1041111193 /nfs/dbraw/zinc/11/11/93/1041111193.db2.gz YOYGXHRZJTXJIW-BZSNNMDCSA-N 1 2 344.480 3.784 20 0 EHADLO C[N@H+](Cc1ncnn1CC(F)F)Cc1ccccc1-c1ccccc1 ZINC000487879803 1041142942 /nfs/dbraw/zinc/14/29/42/1041142942.db2.gz XUXIVEHAQCDOQT-UHFFFAOYSA-N 1 2 342.393 3.842 20 0 EHADLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1ccccc1-c1ccccc1 ZINC000487879803 1041142955 /nfs/dbraw/zinc/14/29/55/1041142955.db2.gz XUXIVEHAQCDOQT-UHFFFAOYSA-N 1 2 342.393 3.842 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759849121 1041147154 /nfs/dbraw/zinc/14/71/54/1041147154.db2.gz JBDCQVMODFAGOR-OAHLLOKOSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759849121 1041147164 /nfs/dbraw/zinc/14/71/64/1041147164.db2.gz JBDCQVMODFAGOR-OAHLLOKOSA-N 1 2 345.842 3.565 20 0 EHADLO Cc1ccc([C@@H](CCn2cncn2)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000571073236 1041174427 /nfs/dbraw/zinc/17/44/27/1041174427.db2.gz KERQMMBTINVYOO-HXUWFJFHSA-N 1 2 333.439 3.798 20 0 EHADLO CC(C)[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccnc1 ZINC000487915941 1041180133 /nfs/dbraw/zinc/18/01/33/1041180133.db2.gz JQXFGRNVSNUESU-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccnc1 ZINC000487915941 1041180142 /nfs/dbraw/zinc/18/01/42/1041180142.db2.gz JQXFGRNVSNUESU-UHFFFAOYSA-N 1 2 342.393 3.956 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000500920919 1041203486 /nfs/dbraw/zinc/20/34/86/1041203486.db2.gz DVCXSDQYKAELIU-MRXNPFEDSA-N 1 2 329.444 3.816 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000500920919 1041203496 /nfs/dbraw/zinc/20/34/96/1041203496.db2.gz DVCXSDQYKAELIU-MRXNPFEDSA-N 1 2 329.444 3.816 20 0 EHADLO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000481671809 1041217285 /nfs/dbraw/zinc/21/72/85/1041217285.db2.gz QIEYXIRYDLHWIB-RYUDHWBXSA-N 1 2 331.378 3.956 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000669188413 1041226948 /nfs/dbraw/zinc/22/69/48/1041226948.db2.gz WAYOKWQJLJYAEM-JXFKEZNVSA-N 1 2 345.446 3.905 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000487981799 1041234528 /nfs/dbraw/zinc/23/45/28/1041234528.db2.gz OZXRTZHMULQSHZ-ZDUSSCGKSA-N 1 2 326.375 3.772 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000487981799 1041234548 /nfs/dbraw/zinc/23/45/48/1041234548.db2.gz OZXRTZHMULQSHZ-ZDUSSCGKSA-N 1 2 326.375 3.772 20 0 EHADLO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000759869026 1041252956 /nfs/dbraw/zinc/25/29/56/1041252956.db2.gz QOLURTPXIOCXSD-TVQRCGJNSA-N 1 2 341.814 3.544 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(Br)cc(F)c1F)c1ccco1 ZINC000571288216 1041255786 /nfs/dbraw/zinc/25/57/86/1041255786.db2.gz SQZBKJYXGVYYSJ-LBPRGKRZSA-N 1 2 346.171 3.534 20 0 EHADLO CCC[C@]1(COC)CCC[N@@H+]1Cc1ncsc1Br ZINC000660430287 1041293618 /nfs/dbraw/zinc/29/36/18/1041293618.db2.gz MFBVYLOBYCIKRF-CYBMUJFWSA-N 1 2 333.295 3.687 20 0 EHADLO CCC[C@]1(COC)CCC[N@H+]1Cc1ncsc1Br ZINC000660430287 1041293633 /nfs/dbraw/zinc/29/36/33/1041293633.db2.gz MFBVYLOBYCIKRF-CYBMUJFWSA-N 1 2 333.295 3.687 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cc(F)ccc1F ZINC000052035308 1041431408 /nfs/dbraw/zinc/43/14/08/1041431408.db2.gz TXIKHWVUXNPBHI-MRXNPFEDSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cc(F)ccc1F ZINC000052035308 1041431421 /nfs/dbraw/zinc/43/14/21/1041431421.db2.gz TXIKHWVUXNPBHI-MRXNPFEDSA-N 1 2 348.368 3.750 20 0 EHADLO CCc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000043333729 1041497056 /nfs/dbraw/zinc/49/70/56/1041497056.db2.gz FWVAJLBOZDUETI-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO COc1cc[nH+]cc1Nc1c(F)cc(Br)cc1OC ZINC001176124471 1132852683 /nfs/dbraw/zinc/85/26/83/1132852683.db2.gz PVGZQKHAOPOQNG-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccccc3)C2)oc1C ZINC000292718231 1041600848 /nfs/dbraw/zinc/60/08/48/1041600848.db2.gz UJXGJOKOVPZESB-FZKQIMNGSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@@H](c3ccccc3)C2)oc1C ZINC000292718231 1041600853 /nfs/dbraw/zinc/60/08/53/1041600853.db2.gz UJXGJOKOVPZESB-FZKQIMNGSA-N 1 2 329.396 3.509 20 0 EHADLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111476761 1041656774 /nfs/dbraw/zinc/65/67/74/1041656774.db2.gz FVBKMFQXIQMOFY-YWZLYKJASA-N 1 2 346.434 3.605 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cc(C3CC3)no2)Cc2cccs2)C1 ZINC000660550098 1041658564 /nfs/dbraw/zinc/65/85/64/1041658564.db2.gz SYYIWIYVKODMSM-DZGCQCFKSA-N 1 2 330.453 3.553 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cc(C3CC3)no2)Cc2cccs2)C1 ZINC000660550098 1041658568 /nfs/dbraw/zinc/65/85/68/1041658568.db2.gz SYYIWIYVKODMSM-DZGCQCFKSA-N 1 2 330.453 3.553 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2n[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000651604424 1041778076 /nfs/dbraw/zinc/77/80/76/1041778076.db2.gz JZRVFQLOYLMMMX-FQEVSTJZSA-N 1 2 335.451 3.947 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000066438069 1041778908 /nfs/dbraw/zinc/77/89/08/1041778908.db2.gz OTPOPVJDEWWUJL-GFCCVEGCSA-N 1 2 342.361 3.836 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000066438069 1041778912 /nfs/dbraw/zinc/77/89/12/1041778912.db2.gz OTPOPVJDEWWUJL-GFCCVEGCSA-N 1 2 342.361 3.836 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000651620904 1041800807 /nfs/dbraw/zinc/80/08/07/1041800807.db2.gz YIVQCRCCFDTGRI-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000651620904 1041800811 /nfs/dbraw/zinc/80/08/11/1041800811.db2.gz YIVQCRCCFDTGRI-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO C[N@H+](CC[C@@H]1CCc2ccccc21)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766149 1041813325 /nfs/dbraw/zinc/81/33/25/1041813325.db2.gz KJUCQLMDMVFTOK-PXNSSMCTSA-N 1 2 332.451 3.946 20 0 EHADLO C[N@@H+](CC[C@@H]1CCc2ccccc21)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766149 1041813330 /nfs/dbraw/zinc/81/33/30/1041813330.db2.gz KJUCQLMDMVFTOK-PXNSSMCTSA-N 1 2 332.451 3.946 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ncc(-c3ccc(F)cc3)s2)CC1 ZINC000432212461 1041832825 /nfs/dbraw/zinc/83/28/25/1041832825.db2.gz IMJQPJOUIHZWMO-UHFFFAOYSA-N 1 2 333.432 3.620 20 0 EHADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651646089 1041842800 /nfs/dbraw/zinc/84/28/00/1041842800.db2.gz NZEGRCHVVXXRIJ-VXGBXAGGSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651646089 1041842805 /nfs/dbraw/zinc/84/28/05/1041842805.db2.gz NZEGRCHVVXXRIJ-VXGBXAGGSA-N 1 2 349.887 3.628 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)c(F)c1 ZINC000661163822 1041978269 /nfs/dbraw/zinc/97/82/69/1041978269.db2.gz QZUVJICUNQBFOM-AWEZNQCLSA-N 1 2 330.403 3.934 20 0 EHADLO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651748251 1041996722 /nfs/dbraw/zinc/99/67/22/1041996722.db2.gz DROFVZXHKDQUHI-CQSZACIVSA-N 1 2 337.826 3.561 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)cn1 ZINC000651760793 1042009573 /nfs/dbraw/zinc/00/95/73/1042009573.db2.gz SBZIFESQOGNVEP-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)cn1 ZINC000651760793 1042009578 /nfs/dbraw/zinc/00/95/78/1042009578.db2.gz SBZIFESQOGNVEP-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661424180 1042113832 /nfs/dbraw/zinc/11/38/32/1042113832.db2.gz OGWTVPNDYVEXCR-LSDHHAIUSA-N 1 2 343.496 3.621 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)no1 ZINC000661430082 1042118266 /nfs/dbraw/zinc/11/82/66/1042118266.db2.gz NZNWXXZMOOHYNO-GOSISDBHSA-N 1 2 349.862 3.728 20 0 EHADLO O=c1cc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc(C2CC2)[nH]1 ZINC000661434673 1042121775 /nfs/dbraw/zinc/12/17/75/1042121775.db2.gz LVLNVMPANSQSLV-KRWDZBQOSA-N 1 2 325.412 3.770 20 0 EHADLO O=c1cc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc(C2CC2)[nH]1 ZINC000661434673 1042121778 /nfs/dbraw/zinc/12/17/78/1042121778.db2.gz LVLNVMPANSQSLV-KRWDZBQOSA-N 1 2 325.412 3.770 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(N2CCCCCC2)cc1 ZINC001126097479 1042165107 /nfs/dbraw/zinc/16/51/07/1042165107.db2.gz OAHTZZHWUSGUMI-UHFFFAOYSA-N 1 2 334.423 3.967 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533788 1042172519 /nfs/dbraw/zinc/17/25/19/1042172519.db2.gz APBPCCWJLLTOPY-AWEZNQCLSA-N 1 2 336.361 3.578 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533788 1042172522 /nfs/dbraw/zinc/17/25/22/1042172522.db2.gz APBPCCWJLLTOPY-AWEZNQCLSA-N 1 2 336.361 3.578 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661559390 1042188151 /nfs/dbraw/zinc/18/81/51/1042188151.db2.gz OHYMSMVSAODBNN-OAHLLOKOSA-N 1 2 346.519 3.933 20 0 EHADLO COc1ccc(-c2cc(C[N@H+](C)Cc3scnc3C)on2)cc1 ZINC000595587368 1042213979 /nfs/dbraw/zinc/21/39/79/1042213979.db2.gz AIDGUEWNUWUOCC-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+](C)Cc3scnc3C)on2)cc1 ZINC000595587368 1042213982 /nfs/dbraw/zinc/21/39/82/1042213982.db2.gz AIDGUEWNUWUOCC-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc3n(n2)CCCC3)cc1F ZINC000661659583 1042237958 /nfs/dbraw/zinc/23/79/58/1042237958.db2.gz JJNKQNSOYJRQSY-GOSISDBHSA-N 1 2 329.419 3.704 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc3n(n2)CCCC3)cc1F ZINC000661659583 1042237961 /nfs/dbraw/zinc/23/79/61/1042237961.db2.gz JJNKQNSOYJRQSY-GOSISDBHSA-N 1 2 329.419 3.704 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000661739961 1042296118 /nfs/dbraw/zinc/29/61/18/1042296118.db2.gz HYOQLLKKNPZPTG-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000661739961 1042296119 /nfs/dbraw/zinc/29/61/19/1042296119.db2.gz HYOQLLKKNPZPTG-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873303 1042380105 /nfs/dbraw/zinc/38/01/05/1042380105.db2.gz FHKCAPAXSIBINS-SJORKVTESA-N 1 2 333.476 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873303 1042380110 /nfs/dbraw/zinc/38/01/10/1042380110.db2.gz FHKCAPAXSIBINS-SJORKVTESA-N 1 2 333.476 3.898 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000048581413 1042393912 /nfs/dbraw/zinc/39/39/12/1042393912.db2.gz TZVORZWSRPMMSP-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000048581413 1042393919 /nfs/dbraw/zinc/39/39/19/1042393919.db2.gz TZVORZWSRPMMSP-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1ccn(-c3ccc(Cl)cc3)n1)CC2 ZINC000661957936 1042432097 /nfs/dbraw/zinc/43/20/97/1042432097.db2.gz LYUPZAMFUQMVHY-UHFFFAOYSA-N 1 2 343.858 3.861 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCC(F)(F)F ZINC000796801487 1042447208 /nfs/dbraw/zinc/44/72/08/1042447208.db2.gz DHRGLMKMFGSITD-UHFFFAOYSA-N 1 2 336.260 3.509 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C1CC1 ZINC000661991040 1042449530 /nfs/dbraw/zinc/44/95/30/1042449530.db2.gz RRJBLVLNMYAQNY-RHSMWYFYSA-N 1 2 335.517 3.571 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1C ZINC000661997241 1042451405 /nfs/dbraw/zinc/45/14/05/1042451405.db2.gz LRLAXMSPFTXZMT-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1C ZINC000661997241 1042451407 /nfs/dbraw/zinc/45/14/07/1042451407.db2.gz LRLAXMSPFTXZMT-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)cs2)co1 ZINC000661997172 1042451538 /nfs/dbraw/zinc/45/15/38/1042451538.db2.gz PEFWZRNDKQTQPC-UHFFFAOYSA-N 1 2 330.453 3.794 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)cs2)co1 ZINC000661997172 1042451540 /nfs/dbraw/zinc/45/15/40/1042451540.db2.gz PEFWZRNDKQTQPC-UHFFFAOYSA-N 1 2 330.453 3.794 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998107 1042455409 /nfs/dbraw/zinc/45/54/09/1042455409.db2.gz SUMHHQOHYFKJSB-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998107 1042455410 /nfs/dbraw/zinc/45/54/10/1042455410.db2.gz SUMHHQOHYFKJSB-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662051026 1042482927 /nfs/dbraw/zinc/48/29/27/1042482927.db2.gz XTIOTEROXLIYRG-AWEZNQCLSA-N 1 2 339.439 3.868 20 0 EHADLO OCc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000662091366 1042512805 /nfs/dbraw/zinc/51/28/05/1042512805.db2.gz FLZRMKFCKHESSV-KRWDZBQOSA-N 1 2 332.241 3.888 20 0 EHADLO OCc1ccc(C[N@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000662091366 1042512808 /nfs/dbraw/zinc/51/28/08/1042512808.db2.gz FLZRMKFCKHESSV-KRWDZBQOSA-N 1 2 332.241 3.888 20 0 EHADLO CN(C)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000060297191 1042601583 /nfs/dbraw/zinc/60/15/83/1042601583.db2.gz LTBBHXMNFKZQIQ-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO c1ccc2c(c1)C=CC1(CC[NH+](Cc3nnc(C4CC4)s3)CC1)O2 ZINC000662216625 1042611745 /nfs/dbraw/zinc/61/17/45/1042611745.db2.gz UGASZBNAKDAEJZ-UHFFFAOYSA-N 1 2 339.464 3.856 20 0 EHADLO CC[C@H](OCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223543 1042614942 /nfs/dbraw/zinc/61/49/42/1042614942.db2.gz OXRHLVYKUXQJEL-CVEARBPZSA-N 1 2 331.378 3.808 20 0 EHADLO CC[C@H](OCC[N@H+]1CCO[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662223543 1042614944 /nfs/dbraw/zinc/61/49/44/1042614944.db2.gz OXRHLVYKUXQJEL-CVEARBPZSA-N 1 2 331.378 3.808 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCOc2ccc3ccccc3c2)s1 ZINC000662259931 1042642760 /nfs/dbraw/zinc/64/27/60/1042642760.db2.gz DZEBZKKGBCYQEN-UHFFFAOYSA-N 1 2 327.453 3.901 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCOc2ccc3ccccc3c2)s1 ZINC000662259931 1042642764 /nfs/dbraw/zinc/64/27/64/1042642764.db2.gz DZEBZKKGBCYQEN-UHFFFAOYSA-N 1 2 327.453 3.901 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)CC3=CCSC3)nc(=O)c2c1C ZINC000662268199 1042643442 /nfs/dbraw/zinc/64/34/42/1042643442.db2.gz SEIJNPPOMUWHCD-JTQLQIEISA-N 1 2 335.498 3.680 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)CC3=CCSC3)nc(=O)c2c1C ZINC000662268199 1042643449 /nfs/dbraw/zinc/64/34/49/1042643449.db2.gz SEIJNPPOMUWHCD-JTQLQIEISA-N 1 2 335.498 3.680 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000663306768 1042659256 /nfs/dbraw/zinc/65/92/56/1042659256.db2.gz OWAPFEGHCOTXPO-CYBMUJFWSA-N 1 2 345.399 3.511 20 0 EHADLO Fc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000663306768 1042659258 /nfs/dbraw/zinc/65/92/58/1042659258.db2.gz OWAPFEGHCOTXPO-CYBMUJFWSA-N 1 2 345.399 3.511 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000161758810 1042683925 /nfs/dbraw/zinc/68/39/25/1042683925.db2.gz DSDYGJVVEOJEOM-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC4CC3(c3ccccc3)C4)no2)cc1 ZINC000662335455 1042687064 /nfs/dbraw/zinc/68/70/64/1042687064.db2.gz JREDPMAYZKQGSJ-UHFFFAOYSA-N 1 2 347.418 3.866 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC4CC3(c3ccccc3)C4)no2)cc1 ZINC000662335455 1042687066 /nfs/dbraw/zinc/68/70/66/1042687066.db2.gz JREDPMAYZKQGSJ-UHFFFAOYSA-N 1 2 347.418 3.866 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2c1C ZINC000066941418 1042701053 /nfs/dbraw/zinc/70/10/53/1042701053.db2.gz KWVWDKCUUMOQRU-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1F)c1ncc(Br)cc1F ZINC000186921169 1042725012 /nfs/dbraw/zinc/72/50/12/1042725012.db2.gz KZZGUVAOCCQLGH-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CC(C)(NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000067407978 1042776553 /nfs/dbraw/zinc/77/65/53/1042776553.db2.gz HESAKHUYKOEBBV-UHFFFAOYSA-N 1 2 334.851 3.551 20 0 EHADLO Fc1ccc(-n2ccc(COc3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000343911954 1042805917 /nfs/dbraw/zinc/80/59/17/1042805917.db2.gz WFRLHNZZCUYKFY-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO Fc1ccc(OCc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000178509612 1042867230 /nfs/dbraw/zinc/86/72/30/1042867230.db2.gz NEQUTPKNJCELNS-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO CC1(O)CCN(c2cc(NCc3cccc4ccccc43)[nH+]cn2)CC1 ZINC000663457410 1042876563 /nfs/dbraw/zinc/87/65/63/1042876563.db2.gz PGCWCHUAHUVWSQ-UHFFFAOYSA-N 1 2 348.450 3.593 20 0 EHADLO CC1(O)CCN(c2cc(NCc3cccc4ccccc43)nc[nH+]2)CC1 ZINC000663457410 1042876567 /nfs/dbraw/zinc/87/65/67/1042876567.db2.gz PGCWCHUAHUVWSQ-UHFFFAOYSA-N 1 2 348.450 3.593 20 0 EHADLO CC1(C)C[C@]1(C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000663476326 1042906521 /nfs/dbraw/zinc/90/65/21/1042906521.db2.gz BQLSNPOEAMMMKI-NQIIRXRSSA-N 1 2 332.451 3.852 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000893615095 1042917170 /nfs/dbraw/zinc/91/71/70/1042917170.db2.gz WQCHSUZJYXCUAC-QGZVFWFLSA-N 1 2 349.496 3.761 20 0 EHADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1nc2ccccc2s1 ZINC000303297715 1042925654 /nfs/dbraw/zinc/92/56/54/1042925654.db2.gz MFEJGCRNQJLGJP-UHFFFAOYSA-N 1 2 343.477 3.961 20 0 EHADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1nc2ccccc2s1 ZINC000303297715 1042925657 /nfs/dbraw/zinc/92/56/57/1042925657.db2.gz MFEJGCRNQJLGJP-UHFFFAOYSA-N 1 2 343.477 3.961 20 0 EHADLO CC(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303472162 1042933406 /nfs/dbraw/zinc/93/34/06/1042933406.db2.gz IYTQUJIBBYGPOC-HNNXBMFYSA-N 1 2 326.843 3.606 20 0 EHADLO CC(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303472162 1042933409 /nfs/dbraw/zinc/93/34/09/1042933409.db2.gz IYTQUJIBBYGPOC-HNNXBMFYSA-N 1 2 326.843 3.606 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000278916737 1042939711 /nfs/dbraw/zinc/93/97/11/1042939711.db2.gz WGKALKFLCIKBGV-LLVKDONJSA-N 1 2 327.375 3.979 20 0 EHADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000278916737 1042939715 /nfs/dbraw/zinc/93/97/15/1042939715.db2.gz WGKALKFLCIKBGV-LLVKDONJSA-N 1 2 327.375 3.979 20 0 EHADLO O=C(Nc1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278928576 1042975935 /nfs/dbraw/zinc/97/59/35/1042975935.db2.gz UTRJZDNPVAGQCR-UHFFFAOYSA-N 1 2 342.418 3.770 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCCC1 ZINC000066985751 1043024263 /nfs/dbraw/zinc/02/42/63/1043024263.db2.gz WSDVKGSFEBDCQB-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@H](C)[S@@]1=O ZINC000348554476 1043197006 /nfs/dbraw/zinc/19/70/06/1043197006.db2.gz YHQXYSFIWVRJMJ-IWBYOKNISA-N 1 2 335.444 3.817 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@H](C)[S@@]1=O ZINC000348554476 1043197016 /nfs/dbraw/zinc/19/70/16/1043197016.db2.gz YHQXYSFIWVRJMJ-IWBYOKNISA-N 1 2 335.444 3.817 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000344075136 1043206633 /nfs/dbraw/zinc/20/66/33/1043206633.db2.gz ROXRKQQDXGLWGI-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000344075136 1043206642 /nfs/dbraw/zinc/20/66/42/1043206642.db2.gz ROXRKQQDXGLWGI-UHFFFAOYSA-N 1 2 338.430 3.709 20 0 EHADLO CCCC1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000344106395 1043265738 /nfs/dbraw/zinc/26/57/38/1043265738.db2.gz UQPRLXNKMVKRIB-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344121146 1043291869 /nfs/dbraw/zinc/29/18/69/1043291869.db2.gz SNSDXPOEUZKGFI-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344121146 1043291879 /nfs/dbraw/zinc/29/18/79/1043291879.db2.gz SNSDXPOEUZKGFI-UHFFFAOYSA-N 1 2 331.437 3.708 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000344132224 1043305126 /nfs/dbraw/zinc/30/51/26/1043305126.db2.gz YLIUBUFHPPLUNB-OAHLLOKOSA-N 1 2 328.460 3.578 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000344132224 1043305136 /nfs/dbraw/zinc/30/51/36/1043305136.db2.gz YLIUBUFHPPLUNB-OAHLLOKOSA-N 1 2 328.460 3.578 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CCc2ccccc2O)c(C)n1C1CC1 ZINC000344174184 1043376993 /nfs/dbraw/zinc/37/69/93/1043376993.db2.gz FANFBBBJIFDCOB-UHFFFAOYSA-N 1 2 326.440 3.503 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CCc2ccccc2O)c(C)n1C1CC1 ZINC000344174184 1043377000 /nfs/dbraw/zinc/37/70/00/1043377000.db2.gz FANFBBBJIFDCOB-UHFFFAOYSA-N 1 2 326.440 3.503 20 0 EHADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344208118 1043426312 /nfs/dbraw/zinc/42/63/12/1043426312.db2.gz JQJIPIDRBJUPHN-KRWDZBQOSA-N 1 2 349.434 3.686 20 0 EHADLO CCN(CCc1cccs1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344221913 1043468129 /nfs/dbraw/zinc/46/81/29/1043468129.db2.gz PCKJQHKPNHYGES-UHFFFAOYSA-N 1 2 325.437 3.639 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+](C)CCC(=O)OC(C)(C)C)cs2)o1 ZINC000344223942 1043471147 /nfs/dbraw/zinc/47/11/47/1043471147.db2.gz WMXBGYQPDXHDMZ-UHFFFAOYSA-N 1 2 336.457 3.875 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cs2)o1 ZINC000344223942 1043471157 /nfs/dbraw/zinc/47/11/57/1043471157.db2.gz WMXBGYQPDXHDMZ-UHFFFAOYSA-N 1 2 336.457 3.875 20 0 EHADLO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000344252511 1043520850 /nfs/dbraw/zinc/52/08/50/1043520850.db2.gz RJSMMYHMOYFGCW-IXDOHACOSA-N 1 2 349.425 3.589 20 0 EHADLO O=C(CCCOCc1ccccc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000050561742 1043571451 /nfs/dbraw/zinc/57/14/51/1043571451.db2.gz RGABOSBZZPDAIQ-UHFFFAOYSA-N 1 2 335.407 3.808 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1 ZINC000344309092 1043633622 /nfs/dbraw/zinc/63/36/22/1043633622.db2.gz XFNNYNIAAZAGQR-GOSISDBHSA-N 1 2 326.440 3.685 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1 ZINC000344309092 1043633628 /nfs/dbraw/zinc/63/36/28/1043633628.db2.gz XFNNYNIAAZAGQR-GOSISDBHSA-N 1 2 326.440 3.685 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCc2c1cccc2Cl ZINC000606582806 1043699930 /nfs/dbraw/zinc/69/99/30/1043699930.db2.gz DWRSLCCJSAATTE-HNNXBMFYSA-N 1 2 326.787 3.797 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC2(CCCCC2)C1 ZINC000111825677 1043762962 /nfs/dbraw/zinc/76/29/62/1043762962.db2.gz CGFTWRZURQCXDP-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000162765082 1043783707 /nfs/dbraw/zinc/78/37/07/1043783707.db2.gz GJCSSGIYZXPOKH-UHFFFAOYSA-N 1 2 335.392 3.781 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000344372769 1043806535 /nfs/dbraw/zinc/80/65/35/1043806535.db2.gz GHLGUTRXAFPKSA-INIZCTEOSA-N 1 2 328.412 3.772 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000344404052 1043966337 /nfs/dbraw/zinc/96/63/37/1043966337.db2.gz YBBSPZOUOPENRC-IBGZPJMESA-N 1 2 345.446 3.967 20 0 EHADLO Cc1sc2nc(C)nc(NCCc3cn4ccccc4[nH+]3)c2c1C ZINC000344452651 1044016721 /nfs/dbraw/zinc/01/67/21/1044016721.db2.gz CZNNQFBAZJDOIJ-UHFFFAOYSA-N 1 2 337.452 3.919 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000247655224 1044028158 /nfs/dbraw/zinc/02/81/58/1044028158.db2.gz POLWEKDKZSLNKX-NEWSRXKRSA-N 1 2 340.471 3.935 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ncnn1-c1ccccc1 ZINC000279418779 1044060953 /nfs/dbraw/zinc/06/09/53/1044060953.db2.gz FOQKWICALUQTFL-GOSISDBHSA-N 1 2 334.423 3.579 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000344546644 1044115382 /nfs/dbraw/zinc/11/53/82/1044115382.db2.gz ZYVRYICDEHRYEH-UHFFFAOYSA-N 1 2 341.361 3.669 20 0 EHADLO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)CCCO2 ZINC000279501472 1044141396 /nfs/dbraw/zinc/14/13/96/1044141396.db2.gz MPSPTTAHSKCACV-IBGZPJMESA-N 1 2 348.450 3.888 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(F)cc3F)n2)c1 ZINC000279525867 1044187353 /nfs/dbraw/zinc/18/73/53/1044187353.db2.gz OTTBBQFEEJVRFQ-NEPJUHHUSA-N 1 2 343.381 3.865 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cc(Br)cs2)s1 ZINC000344659286 1044247064 /nfs/dbraw/zinc/24/70/64/1044247064.db2.gz CTPPLETUNFXHBI-UHFFFAOYSA-N 1 2 332.292 3.775 20 0 EHADLO Fc1cncc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000344671750 1044268535 /nfs/dbraw/zinc/26/85/35/1044268535.db2.gz BHPLDCZGQRRSSK-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Fc1cncc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000344671750 1044268543 /nfs/dbraw/zinc/26/85/43/1044268543.db2.gz BHPLDCZGQRRSSK-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(c3cccc[nH+]3)C[C@@H]1C)CCC2 ZINC000344697020 1044294447 /nfs/dbraw/zinc/29/44/47/1044294447.db2.gz FYGYKYNJKJZSOE-FFZOFVMBSA-N 1 2 349.478 3.656 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000344702550 1044309095 /nfs/dbraw/zinc/30/90/95/1044309095.db2.gz JQGVVRCEQFLXSB-GWQWAINWSA-N 1 2 331.460 3.674 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000337884608 1044520007 /nfs/dbraw/zinc/52/00/07/1044520007.db2.gz XCISMCIOTXJIKO-GHMZBOCLSA-N 1 2 349.360 3.986 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000344862301 1044540554 /nfs/dbraw/zinc/54/05/54/1044540554.db2.gz OMSSRIKMJFVSAS-LBPRGKRZSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000344862301 1044540566 /nfs/dbraw/zinc/54/05/66/1044540566.db2.gz OMSSRIKMJFVSAS-LBPRGKRZSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CCO2 ZINC000512296608 1044569327 /nfs/dbraw/zinc/56/93/27/1044569327.db2.gz ZITVLKBGHSIENK-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CCO2 ZINC000512296608 1044569344 /nfs/dbraw/zinc/56/93/44/1044569344.db2.gz ZITVLKBGHSIENK-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)nn(C)c1C ZINC000112350149 1044601862 /nfs/dbraw/zinc/60/18/62/1044601862.db2.gz DPFWJVLWHJKJBZ-UHFFFAOYSA-N 1 2 348.878 3.541 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)nn(C)c1C ZINC000112350149 1044601870 /nfs/dbraw/zinc/60/18/70/1044601870.db2.gz DPFWJVLWHJKJBZ-UHFFFAOYSA-N 1 2 348.878 3.541 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841741 1044733039 /nfs/dbraw/zinc/73/30/39/1044733039.db2.gz RQXUDCDOVKFASZ-STQMWFEESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841741 1044733054 /nfs/dbraw/zinc/73/30/54/1044733054.db2.gz RQXUDCDOVKFASZ-STQMWFEESA-N 1 2 327.827 3.810 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000620410976 1125566776 /nfs/dbraw/zinc/56/67/76/1125566776.db2.gz SENJEHVMRDZGBH-HXUWFJFHSA-N 1 2 333.435 3.764 20 0 EHADLO CC(C)CN(CCc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000620548147 1125597806 /nfs/dbraw/zinc/59/78/06/1125597806.db2.gz DEEWTSJUSWKDMQ-UHFFFAOYSA-N 1 2 342.487 3.574 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@]1(C)Cc1cccc2ccccc21 ZINC000620588833 1125602476 /nfs/dbraw/zinc/60/24/76/1125602476.db2.gz DGUCGRKAYBLSCU-JOCHJYFZSA-N 1 2 347.462 3.740 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000675249234 1130295788 /nfs/dbraw/zinc/29/57/88/1130295788.db2.gz UCOYERADXSTOEW-ZDUSSCGKSA-N 1 2 328.225 3.515 20 0 EHADLO CCCC[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(OC)cc1 ZINC000171367345 1126763433 /nfs/dbraw/zinc/76/34/33/1126763433.db2.gz QQDGHSFPGHUEQH-MRXNPFEDSA-N 1 2 325.416 3.715 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171912499 1126769595 /nfs/dbraw/zinc/76/95/95/1126769595.db2.gz KPLPCYYWWMAUHJ-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171912499 1126769598 /nfs/dbraw/zinc/76/95/98/1126769598.db2.gz KPLPCYYWWMAUHJ-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1CCO)Nc1c(Cl)cccc1Cl ZINC000671246992 1126817248 /nfs/dbraw/zinc/81/72/48/1126817248.db2.gz SYFYUKHYKANVDM-LBPRGKRZSA-N 1 2 345.270 3.559 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1CCO)Nc1c(Cl)cccc1Cl ZINC000671246992 1126817250 /nfs/dbraw/zinc/81/72/50/1126817250.db2.gz SYFYUKHYKANVDM-LBPRGKRZSA-N 1 2 345.270 3.559 20 0 EHADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC000172864549 1126819342 /nfs/dbraw/zinc/81/93/42/1126819342.db2.gz QKBJMUSHWJAAMH-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC000172864549 1126819344 /nfs/dbraw/zinc/81/93/44/1126819344.db2.gz QKBJMUSHWJAAMH-VXGBXAGGSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000339439923 1126844232 /nfs/dbraw/zinc/84/42/32/1126844232.db2.gz ZDDZUHJAPRXEAN-RKVPGOIHSA-N 1 2 345.874 3.825 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000174231065 1126850033 /nfs/dbraw/zinc/85/00/33/1126850033.db2.gz OEFINJCIPSDTDZ-OLZOCXBDSA-N 1 2 348.393 3.960 20 0 EHADLO CC[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000623173675 1126889219 /nfs/dbraw/zinc/88/92/19/1126889219.db2.gz MIESQLVEDXDLLL-KGLIPLIRSA-N 1 2 325.334 3.644 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000623233709 1126900072 /nfs/dbraw/zinc/90/00/72/1126900072.db2.gz JHTHZKZVEHDTRG-UYAOXDASSA-N 1 2 348.446 3.736 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623237005 1126900886 /nfs/dbraw/zinc/90/08/86/1126900886.db2.gz MXYLVXBVBGWYSQ-SGTLLEGYSA-N 1 2 344.842 3.713 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)o1 ZINC000623256593 1126903651 /nfs/dbraw/zinc/90/36/51/1126903651.db2.gz BPOIVXKJJKBGKO-PBHICJAKSA-N 1 2 327.428 3.571 20 0 EHADLO CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)o2)cc1 ZINC000623265039 1126907988 /nfs/dbraw/zinc/90/79/88/1126907988.db2.gz ZPXOJXJKFHMQFZ-INIZCTEOSA-N 1 2 349.434 3.795 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000623292772 1126912134 /nfs/dbraw/zinc/91/21/34/1126912134.db2.gz VZYLEVBPEBKOQX-UHFFFAOYSA-N 1 2 326.425 3.789 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000623332775 1126916762 /nfs/dbraw/zinc/91/67/62/1126916762.db2.gz VQJAGOSJCBXUTF-CYBMUJFWSA-N 1 2 332.473 3.664 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000192546425 1126918250 /nfs/dbraw/zinc/91/82/50/1126918250.db2.gz UPSKQTNHXYGATN-MRXNPFEDSA-N 1 2 341.455 3.712 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(F)cc1Cl ZINC001238298168 1126952918 /nfs/dbraw/zinc/95/29/18/1126952918.db2.gz FNRXVZOOUPQDSP-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(F)cc1Cl ZINC001238298168 1126952920 /nfs/dbraw/zinc/95/29/20/1126952920.db2.gz FNRXVZOOUPQDSP-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)nc2c1 ZINC000623437384 1126956157 /nfs/dbraw/zinc/95/61/57/1126956157.db2.gz DBJSJGWTVBHAPR-UHFFFAOYSA-N 1 2 330.382 3.505 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)[nH]c2c1 ZINC000623437384 1126956159 /nfs/dbraw/zinc/95/61/59/1126956159.db2.gz DBJSJGWTVBHAPR-UHFFFAOYSA-N 1 2 330.382 3.505 20 0 EHADLO COc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)ccc1Cl ZINC000623442600 1126956667 /nfs/dbraw/zinc/95/66/67/1126956667.db2.gz WEVGPMBSGICTHW-SNVBAGLBSA-N 1 2 326.849 3.802 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178357019 1127015677 /nfs/dbraw/zinc/01/56/77/1127015677.db2.gz GZKQYSNRZHDAEK-OAHLLOKOSA-N 1 2 337.423 3.541 20 0 EHADLO Cc1cccc(C)c1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000180152569 1127126891 /nfs/dbraw/zinc/12/68/91/1127126891.db2.gz AZRYVFVLNXDYJM-UHFFFAOYSA-N 1 2 343.496 3.927 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3cn(C)nc3C(C)(C)C)CCO2)ccc1F ZINC000180414727 1127153570 /nfs/dbraw/zinc/15/35/70/1127153570.db2.gz UUTNYLAVKCLRKY-GOSISDBHSA-N 1 2 345.462 3.739 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3cn(C)nc3C(C)(C)C)CCO2)ccc1F ZINC000180414727 1127153572 /nfs/dbraw/zinc/15/35/72/1127153572.db2.gz UUTNYLAVKCLRKY-GOSISDBHSA-N 1 2 345.462 3.739 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180625841 1127177635 /nfs/dbraw/zinc/17/76/35/1127177635.db2.gz FNFBCCCQLRBTEU-TZMCWYRMSA-N 1 2 345.443 3.940 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000180833880 1127189373 /nfs/dbraw/zinc/18/93/73/1127189373.db2.gz VNSNYKWREYCSSA-YWVDXFKGSA-N 1 2 332.797 3.922 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000180833880 1127189375 /nfs/dbraw/zinc/18/93/75/1127189375.db2.gz VNSNYKWREYCSSA-YWVDXFKGSA-N 1 2 332.797 3.922 20 0 EHADLO O=C1[C@@H]([NH2+][C@H]2CCCc3scnc32)CCN1c1ccccc1Cl ZINC000623913214 1127213593 /nfs/dbraw/zinc/21/35/93/1127213593.db2.gz ISQDUSOWOZXCKU-STQMWFEESA-N 1 2 347.871 3.569 20 0 EHADLO C=CCSCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185969042 1127216641 /nfs/dbraw/zinc/21/66/41/1127216641.db2.gz BYLWYFBBDNSYDK-VIFPVBQESA-N 1 2 334.254 3.864 20 0 EHADLO Cc1ccccc1-c1nsc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000623937098 1127218923 /nfs/dbraw/zinc/21/89/23/1127218923.db2.gz USHAEKOBBDPMEI-AWEZNQCLSA-N 1 2 325.441 3.552 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000623945930 1127220040 /nfs/dbraw/zinc/22/00/40/1127220040.db2.gz ICPOKQXUIPWLFX-LEWJYISDSA-N 1 2 345.446 3.660 20 0 EHADLO Cc1cccc([C@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)n1 ZINC000624042038 1127240811 /nfs/dbraw/zinc/24/08/11/1127240811.db2.gz QYWOYCSJLVSNPI-QGZVFWFLSA-N 1 2 329.407 3.927 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)N(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624099775 1127250724 /nfs/dbraw/zinc/25/07/24/1127250724.db2.gz AUMVBXMXYAGGBP-RDTXWAMCSA-N 1 2 329.407 3.865 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](CCc2ccccc2)C(F)F)c[nH+]1 ZINC000624178898 1127275673 /nfs/dbraw/zinc/27/56/73/1127275673.db2.gz DRHCCIWPRRJOAV-QGZVFWFLSA-N 1 2 347.409 3.764 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](c2ccccc2F)C2CCCC2)n1 ZINC000181490496 1127279481 /nfs/dbraw/zinc/27/94/81/1127279481.db2.gz VBZRILYKRLJCFY-IBGZPJMESA-N 1 2 329.419 3.905 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(Br)c(C)n3)n2c1 ZINC000181593574 1127284647 /nfs/dbraw/zinc/28/46/47/1127284647.db2.gz XNAVOLOQGGRSFW-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000181985152 1127306430 /nfs/dbraw/zinc/30/64/30/1127306430.db2.gz VYZCBNXZTFQGKZ-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000181985152 1127306434 /nfs/dbraw/zinc/30/64/34/1127306434.db2.gz VYZCBNXZTFQGKZ-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000182408023 1127328010 /nfs/dbraw/zinc/32/80/10/1127328010.db2.gz XIAYHEJCZBTUHS-OAHLLOKOSA-N 1 2 344.436 3.625 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1nccn1C ZINC000182561275 1127336973 /nfs/dbraw/zinc/33/69/73/1127336973.db2.gz QEKXUNVEOSNKGF-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ncnn3CC(C)C)oc21 ZINC000182650821 1127341345 /nfs/dbraw/zinc/34/13/45/1127341345.db2.gz ZWHJHGJKTVTUNP-CQSZACIVSA-N 1 2 342.443 3.930 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000182727555 1127345203 /nfs/dbraw/zinc/34/52/03/1127345203.db2.gz VOHZBDHSTWSHNG-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000182727555 1127345207 /nfs/dbraw/zinc/34/52/07/1127345207.db2.gz VOHZBDHSTWSHNG-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CC(C)C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccn1 ZINC000182871666 1127351863 /nfs/dbraw/zinc/35/18/63/1127351863.db2.gz GHVBWKPULWAWEC-GOSISDBHSA-N 1 2 326.444 3.513 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000183076816 1127361524 /nfs/dbraw/zinc/36/15/24/1127361524.db2.gz ZTJWLUIDLGAHRH-IQMFZBJNSA-N 1 2 346.477 3.613 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nccn2C)c(OC2CCCC2)c1 ZINC000183070876 1127361671 /nfs/dbraw/zinc/36/16/71/1127361671.db2.gz YTLXJGRKYMHUCV-CQSZACIVSA-N 1 2 329.444 3.601 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183352326 1127373723 /nfs/dbraw/zinc/37/37/23/1127373723.db2.gz RHRXKFMFEMCVQH-LJQANCHMSA-N 1 2 336.414 3.561 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1cccc(-n2cccn2)c1 ZINC000183608736 1127382174 /nfs/dbraw/zinc/38/21/74/1127382174.db2.gz RBBKRUDETXQOGI-CQSZACIVSA-N 1 2 337.427 3.764 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)n1 ZINC000184245098 1127398969 /nfs/dbraw/zinc/39/89/69/1127398969.db2.gz WNHKNUWCYIXEGB-HUUCEWRRSA-N 1 2 331.485 3.596 20 0 EHADLO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184496322 1127406745 /nfs/dbraw/zinc/40/67/45/1127406745.db2.gz IFDQSNSEVYXBML-CYBMUJFWSA-N 1 2 325.522 3.740 20 0 EHADLO CC(C)N(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000184496660 1127406749 /nfs/dbraw/zinc/40/67/49/1127406749.db2.gz KMDCWKYLRFTZEW-ZDUSSCGKSA-N 1 2 325.522 3.737 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1nccs1 ZINC000185049411 1127418764 /nfs/dbraw/zinc/41/87/64/1127418764.db2.gz JVAYNDBEUBXUMN-LBPRGKRZSA-N 1 2 327.812 3.615 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000193031981 1127431944 /nfs/dbraw/zinc/43/19/44/1127431944.db2.gz FQEOEFWVSGYORS-UHFFFAOYSA-N 1 2 341.455 3.951 20 0 EHADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194316084 1127456977 /nfs/dbraw/zinc/45/69/77/1127456977.db2.gz AUYWHAZPZMMRNK-UHFFFAOYSA-N 1 2 347.871 3.882 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000194622752 1127463729 /nfs/dbraw/zinc/46/37/29/1127463729.db2.gz JPHSOQKGBWIUGX-LZLYRXPVSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1ccc(I)c(C[N@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001238803045 1127485583 /nfs/dbraw/zinc/48/55/83/1127485583.db2.gz AGSIGNUFQDGADD-ZYHUDNBSSA-N 1 2 333.188 3.532 20 0 EHADLO Cc1ccc(I)c(C[N@@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001238803045 1127485586 /nfs/dbraw/zinc/48/55/86/1127485586.db2.gz AGSIGNUFQDGADD-ZYHUDNBSSA-N 1 2 333.188 3.532 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000654586921 1127582136 /nfs/dbraw/zinc/58/21/36/1127582136.db2.gz AXZZOJYYOWOMJS-CQSZACIVSA-N 1 2 345.874 3.870 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000654586921 1127582140 /nfs/dbraw/zinc/58/21/40/1127582140.db2.gz AXZZOJYYOWOMJS-CQSZACIVSA-N 1 2 345.874 3.870 20 0 EHADLO C/C=C(/C=C/C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)CC ZINC000765430623 1127611094 /nfs/dbraw/zinc/61/10/94/1127611094.db2.gz ZGWOJDXQPLSRJO-YNQIUSAUSA-N 1 2 328.456 3.931 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010107254 1127628199 /nfs/dbraw/zinc/62/81/99/1127628199.db2.gz DCNBHSXTJNBHGP-LJQANCHMSA-N 1 2 346.471 3.759 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010107254 1127628201 /nfs/dbraw/zinc/62/82/01/1127628201.db2.gz DCNBHSXTJNBHGP-LJQANCHMSA-N 1 2 346.471 3.759 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1F ZINC000010128627 1127628735 /nfs/dbraw/zinc/62/87/35/1127628735.db2.gz LAQCAASCRPGRPT-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1F ZINC000010128627 1127628736 /nfs/dbraw/zinc/62/87/36/1127628736.db2.gz LAQCAASCRPGRPT-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000015296374 1127651764 /nfs/dbraw/zinc/65/17/64/1127651764.db2.gz REVINMABSWAMQK-IBGZPJMESA-N 1 2 340.467 3.785 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000015296374 1127651766 /nfs/dbraw/zinc/65/17/66/1127651766.db2.gz REVINMABSWAMQK-IBGZPJMESA-N 1 2 340.467 3.785 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000015296267 1127652055 /nfs/dbraw/zinc/65/20/55/1127652055.db2.gz SOECGIVXXZUCNY-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000015296267 1127652059 /nfs/dbraw/zinc/65/20/59/1127652059.db2.gz SOECGIVXXZUCNY-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)cc1OC ZINC000172016480 1127660888 /nfs/dbraw/zinc/66/08/88/1127660888.db2.gz FYBYOTCELCUICK-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)cc1OC ZINC000172016480 1127660890 /nfs/dbraw/zinc/66/08/90/1127660890.db2.gz FYBYOTCELCUICK-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO C[N@H+](Cc1cc(-c2cccs2)on1)Cc1ccc2c(c1)OCO2 ZINC000016351977 1127661699 /nfs/dbraw/zinc/66/16/99/1127661699.db2.gz XVRMJECZQLJTIM-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO C[N@@H+](Cc1cc(-c2cccs2)on1)Cc1ccc2c(c1)OCO2 ZINC000016351977 1127661700 /nfs/dbraw/zinc/66/17/00/1127661700.db2.gz XVRMJECZQLJTIM-UHFFFAOYSA-N 1 2 328.393 3.764 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000921530742 1127672808 /nfs/dbraw/zinc/67/28/08/1127672808.db2.gz URJFYTYXBYFKNT-QGZVFWFLSA-N 1 2 344.455 3.820 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc2ccccc2c1 ZINC000019535643 1127676907 /nfs/dbraw/zinc/67/69/07/1127676907.db2.gz FPJSROYPHCGWJO-UHFFFAOYSA-N 1 2 339.460 3.746 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc2ccccc2c1 ZINC000019535643 1127676910 /nfs/dbraw/zinc/67/69/10/1127676910.db2.gz FPJSROYPHCGWJO-UHFFFAOYSA-N 1 2 339.460 3.746 20 0 EHADLO CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050401 1127701823 /nfs/dbraw/zinc/70/18/23/1127701823.db2.gz STBXKKHGTHQMKR-UHFFFAOYSA-N 1 2 348.431 3.754 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000024152338 1127703195 /nfs/dbraw/zinc/70/31/95/1127703195.db2.gz QYEQNKRGEIOTQD-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000024152338 1127703198 /nfs/dbraw/zinc/70/31/98/1127703198.db2.gz QYEQNKRGEIOTQD-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000921568607 1127753863 /nfs/dbraw/zinc/75/38/63/1127753863.db2.gz UEUCZDWZGYGBAU-UHFFFAOYSA-N 1 2 326.440 3.577 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCCC2=O)cc1 ZINC000921601038 1127758962 /nfs/dbraw/zinc/75/89/62/1127758962.db2.gz RAVSESXOWQLHPY-CQSZACIVSA-N 1 2 341.455 3.950 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(F)cc2cccnc21 ZINC000025945016 1127767607 /nfs/dbraw/zinc/76/76/07/1127767607.db2.gz OGQVNSFNLVFVRW-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(F)cc2cccnc21 ZINC000025945016 1127767610 /nfs/dbraw/zinc/76/76/10/1127767610.db2.gz OGQVNSFNLVFVRW-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)c(OC)c1 ZINC000026322713 1127771113 /nfs/dbraw/zinc/77/11/13/1127771113.db2.gz RDUKQUKHXDPMCJ-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)c(OC)c1 ZINC000026322713 1127771114 /nfs/dbraw/zinc/77/11/14/1127771114.db2.gz RDUKQUKHXDPMCJ-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C=C(C1CC1)C1CC1 ZINC000265578836 1127784308 /nfs/dbraw/zinc/78/43/08/1127784308.db2.gz CRQDDUFEEMCILP-UHFFFAOYSA-N 1 2 340.467 3.512 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000027817959 1127784590 /nfs/dbraw/zinc/78/45/90/1127784590.db2.gz FURXJUIANMIBLK-CQSZACIVSA-N 1 2 342.443 3.605 20 0 EHADLO O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030691449 1127823120 /nfs/dbraw/zinc/82/31/20/1127823120.db2.gz VICBGTBKKHVICV-SFHVURJKSA-N 1 2 331.419 3.722 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000030920617 1127825915 /nfs/dbraw/zinc/82/59/15/1127825915.db2.gz URDSOKLTBZAQBX-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000030920617 1127825918 /nfs/dbraw/zinc/82/59/18/1127825918.db2.gz URDSOKLTBZAQBX-UHFFFAOYSA-N 1 2 343.496 3.727 20 0 EHADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000031906429 1127842912 /nfs/dbraw/zinc/84/29/12/1127842912.db2.gz MQGCLZIQUROBGN-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc(Cl)ccc1F ZINC000043527726 1127922203 /nfs/dbraw/zinc/92/22/03/1127922203.db2.gz JEXWCQALYMDRLS-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438067 1127936868 /nfs/dbraw/zinc/93/68/68/1127936868.db2.gz KALYZGPKTUOSDE-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438067 1127936870 /nfs/dbraw/zinc/93/68/70/1127936870.db2.gz KALYZGPKTUOSDE-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO CC(C)[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000045151122 1127946660 /nfs/dbraw/zinc/94/66/60/1127946660.db2.gz GHVFVRLOXOIXDW-SFHVURJKSA-N 1 2 344.434 3.719 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000046944985 1127995727 /nfs/dbraw/zinc/99/57/27/1127995727.db2.gz IYBJVDQNZLZZHN-AWEZNQCLSA-N 1 2 344.484 3.666 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1cccs1)C1CC1 ZINC000047298858 1128005491 /nfs/dbraw/zinc/00/54/91/1128005491.db2.gz CJMZGBTWWMNMBX-UHFFFAOYSA-N 1 2 337.448 3.798 20 0 EHADLO c1c2ccccc2n2c1C[N@H+](Cc1ccc3c(c1)OCCO3)CCC2 ZINC000347496720 1128013025 /nfs/dbraw/zinc/01/30/25/1128013025.db2.gz MMPVFWPYPPUOGX-UHFFFAOYSA-N 1 2 334.419 3.818 20 0 EHADLO c1c2ccccc2n2c1C[N@@H+](Cc1ccc3c(c1)OCCO3)CCC2 ZINC000347496720 1128013028 /nfs/dbraw/zinc/01/30/28/1128013028.db2.gz MMPVFWPYPPUOGX-UHFFFAOYSA-N 1 2 334.419 3.818 20 0 EHADLO Clc1nccc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc21 ZINC001212364252 1128028857 /nfs/dbraw/zinc/02/88/57/1128028857.db2.gz BNKWTJPMTDSHBH-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccs1 ZINC000057243637 1128042549 /nfs/dbraw/zinc/04/25/49/1128042549.db2.gz BIIVGOVYMLVWAR-HNNXBMFYSA-N 1 2 344.484 3.694 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000057431067 1128049114 /nfs/dbraw/zinc/04/91/14/1128049114.db2.gz UICTZKVSSXMFCT-OLZOCXBDSA-N 1 2 339.361 3.600 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000057449842 1128050074 /nfs/dbraw/zinc/05/00/74/1128050074.db2.gz UWOBQHYHRMAHKM-OAHLLOKOSA-N 1 2 341.430 3.631 20 0 EHADLO CCOc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058601153 1128073150 /nfs/dbraw/zinc/07/31/50/1128073150.db2.gz KFGSEZYJLMRSKN-UHFFFAOYSA-N 1 2 343.427 3.770 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)cc2F)c1C ZINC000058605448 1128073903 /nfs/dbraw/zinc/07/39/03/1128073903.db2.gz IDYDMAMPVBEOOP-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccn1 ZINC000347555644 1128082481 /nfs/dbraw/zinc/08/24/81/1128082481.db2.gz HKSQOAVLKJLMLG-ZIAGYGMSSA-N 1 2 338.411 3.860 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccn1 ZINC000347555640 1128082583 /nfs/dbraw/zinc/08/25/83/1128082583.db2.gz HKSQOAVLKJLMLG-KGLIPLIRSA-N 1 2 338.411 3.860 20 0 EHADLO CCc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)sc1C ZINC000060216134 1128095152 /nfs/dbraw/zinc/09/51/52/1128095152.db2.gz PUTKPLCUJUYILQ-UHFFFAOYSA-N 1 2 332.469 3.912 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000347574846 1128110443 /nfs/dbraw/zinc/11/04/43/1128110443.db2.gz JCTQKNQHWVSLSI-MRXNPFEDSA-N 1 2 343.496 3.818 20 0 EHADLO Clc1cccc(OCC[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000060942588 1128116714 /nfs/dbraw/zinc/11/67/14/1128116714.db2.gz MTBKQYJAPQGAIG-UHFFFAOYSA-N 1 2 336.888 3.598 20 0 EHADLO Cc1occc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000060953453 1128117247 /nfs/dbraw/zinc/11/72/47/1128117247.db2.gz IHTQKJDBXMEUMI-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254510 1128132127 /nfs/dbraw/zinc/13/21/27/1128132127.db2.gz JELURJWLQMNSAG-SJORKVTESA-N 1 2 327.472 3.672 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccc(Cl)c2)CCCC1 ZINC000065587201 1128195246 /nfs/dbraw/zinc/19/52/46/1128195246.db2.gz ZBHCFTAWCHRMLP-UHFFFAOYSA-N 1 2 341.846 3.941 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccs2)oc1C ZINC000067653541 1128245963 /nfs/dbraw/zinc/24/59/63/1128245963.db2.gz VIMZURBPQGYFAN-HNNXBMFYSA-N 1 2 347.484 3.544 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2cccs2)oc1C ZINC000067653541 1128245966 /nfs/dbraw/zinc/24/59/66/1128245966.db2.gz VIMZURBPQGYFAN-HNNXBMFYSA-N 1 2 347.484 3.544 20 0 EHADLO O=C(c1sccc1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067125256 1128234731 /nfs/dbraw/zinc/23/47/31/1128234731.db2.gz DYUHSDCAPCFYFX-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO COc1c(C)cc([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1Cl ZINC000671757480 1128235928 /nfs/dbraw/zinc/23/59/28/1128235928.db2.gz NKXWRIHSHZXHLH-CYBMUJFWSA-N 1 2 349.862 3.654 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Cl)c1 ZINC000067523225 1128242914 /nfs/dbraw/zinc/24/29/14/1128242914.db2.gz BIIPWGUIOLLQEE-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CN1CC[N@H+](Cc2coc(-c3cccs3)n2)Cc2ccccc21 ZINC000069090291 1128282581 /nfs/dbraw/zinc/28/25/81/1128282581.db2.gz JSYOCHRGHWKKCV-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CN1CC[N@@H+](Cc2coc(-c3cccs3)n2)Cc2ccccc21 ZINC000069090291 1128282585 /nfs/dbraw/zinc/28/25/85/1128282585.db2.gz JSYOCHRGHWKKCV-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069265418 1128285108 /nfs/dbraw/zinc/28/51/08/1128285108.db2.gz LDQGWUITUMFDOJ-SJLPKXTDSA-N 1 2 346.519 3.666 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000072621544 1128302614 /nfs/dbraw/zinc/30/26/14/1128302614.db2.gz GPBLQAZLSFNRGI-UHFFFAOYSA-N 1 2 332.816 3.689 20 0 EHADLO COc1ccc([C@@H](CNCc2ccc(Cl)o2)[NH+]2CCCC2)cc1 ZINC000072726323 1128304704 /nfs/dbraw/zinc/30/47/04/1128304704.db2.gz WKGQCYXNEHRXRM-QGZVFWFLSA-N 1 2 334.847 3.868 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000073139022 1128317328 /nfs/dbraw/zinc/31/73/28/1128317328.db2.gz OWFNMLMOMRHALF-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1c1cc(N2CCC(F)(F)C[C@H]2C)[nH+]cn1 ZINC000624637235 1128413925 /nfs/dbraw/zinc/41/39/25/1128413925.db2.gz WOFWEUXLACBFPY-VXGBXAGGSA-N 1 2 346.372 3.725 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000051582591 1128390962 /nfs/dbraw/zinc/39/09/62/1128390962.db2.gz HUVQOTLPORYDJF-UHFFFAOYSA-N 1 2 327.428 3.954 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3c[nH]nc3C(C)(C)C)cc2)[nH+]c1C ZINC000921656329 1128437245 /nfs/dbraw/zinc/43/72/45/1128437245.db2.gz MYTYZGHIYISYPI-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn[nH]c3C(C)(C)C)cc2)[nH+]c1C ZINC000921656329 1128437246 /nfs/dbraw/zinc/43/72/46/1128437246.db2.gz MYTYZGHIYISYPI-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)[nH+]c1C ZINC000921657315 1128438544 /nfs/dbraw/zinc/43/85/44/1128438544.db2.gz RDLRKGHMIUNVMG-ZWKOTPCHSA-N 1 2 332.407 3.831 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(SCc2ccccc2)cc1 ZINC000054777305 1128487380 /nfs/dbraw/zinc/48/73/80/1128487380.db2.gz PJXJDMJGIGIKLW-UHFFFAOYSA-N 1 2 337.448 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](SC)c2ccccc2)c1C ZINC000172530645 1128494730 /nfs/dbraw/zinc/49/47/30/1128494730.db2.gz ZMAYDBHJONGWFT-GOSISDBHSA-N 1 2 344.480 3.770 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC000347640139 1128503564 /nfs/dbraw/zinc/50/35/64/1128503564.db2.gz LAUPZVNMLMLVLM-CQSZACIVSA-N 1 2 334.778 3.834 20 0 EHADLO O=C(c1csc(Cl)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282288070 1128504176 /nfs/dbraw/zinc/50/41/76/1128504176.db2.gz LGOYRPMJNMAYPL-GFCCVEGCSA-N 1 2 349.887 3.954 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCCc3ccccc3C2)c1C ZINC000106887158 1128515930 /nfs/dbraw/zinc/51/59/30/1128515930.db2.gz VRTWYZIZTHHMLT-HNNXBMFYSA-N 1 2 338.451 3.854 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCCc3ccccc3C2)c1C ZINC000106887158 1128515933 /nfs/dbraw/zinc/51/59/33/1128515933.db2.gz VRTWYZIZTHHMLT-HNNXBMFYSA-N 1 2 338.451 3.854 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636586 1128529500 /nfs/dbraw/zinc/52/95/00/1128529500.db2.gz QJJXOWDGNBASFI-LXZKKBNFSA-N 1 2 325.399 3.892 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CC[C@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636586 1128529501 /nfs/dbraw/zinc/52/95/01/1128529501.db2.gz QJJXOWDGNBASFI-LXZKKBNFSA-N 1 2 325.399 3.892 20 0 EHADLO C[N@H+](C/C=C/c1ccc(F)cc1F)CC(=O)Nc1cccc(F)c1 ZINC000542703638 1128548978 /nfs/dbraw/zinc/54/89/78/1128548978.db2.gz WPJOTRHXSWVENP-ONEGZZNKSA-N 1 2 334.341 3.688 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(F)cc1F)CC(=O)Nc1cccc(F)c1 ZINC000542703638 1128548981 /nfs/dbraw/zinc/54/89/81/1128548981.db2.gz WPJOTRHXSWVENP-ONEGZZNKSA-N 1 2 334.341 3.688 20 0 EHADLO CC(C)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000465718352 1128587205 /nfs/dbraw/zinc/58/72/05/1128587205.db2.gz GMWLNCYSCFQBSZ-UHFFFAOYSA-N 1 2 344.434 3.589 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057375861 1128634206 /nfs/dbraw/zinc/63/42/06/1128634206.db2.gz BPEJIQJAWJCMNZ-INIZCTEOSA-N 1 2 344.459 3.511 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3/C=C/c3ccccc3)[nH+]c12 ZINC000542804657 1128641833 /nfs/dbraw/zinc/64/18/33/1128641833.db2.gz SBPZNNHRHMHHKL-SGWGQVFISA-N 1 2 345.446 3.890 20 0 EHADLO C[C@H](CNC(=O)C1(c2cccc(F)c2)CCCCC1)Cn1cc[nH+]c1 ZINC000153749362 1128667080 /nfs/dbraw/zinc/66/70/80/1128667080.db2.gz TVGQCKBTPMBRBT-MRXNPFEDSA-N 1 2 343.446 3.677 20 0 EHADLO C[N@H+](Cc1noc2c1CCCC2)Cc1ccccc1N1CCCC1 ZINC000108917082 1128672289 /nfs/dbraw/zinc/67/22/89/1128672289.db2.gz KTEGLXCJRTUUKY-UHFFFAOYSA-N 1 2 325.456 3.786 20 0 EHADLO C[N@@H+](Cc1noc2c1CCCC2)Cc1ccccc1N1CCCC1 ZINC000108917082 1128672292 /nfs/dbraw/zinc/67/22/92/1128672292.db2.gz KTEGLXCJRTUUKY-UHFFFAOYSA-N 1 2 325.456 3.786 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)c(OC)c1 ZINC000108851229 1128668474 /nfs/dbraw/zinc/66/84/74/1128668474.db2.gz HFQLQWOFVXROFQ-SFHVURJKSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2noc3c2CCCC3)c(OC)c1 ZINC000108851229 1128668475 /nfs/dbraw/zinc/66/84/75/1128668475.db2.gz HFQLQWOFVXROFQ-SFHVURJKSA-N 1 2 342.439 3.908 20 0 EHADLO c1ccc(C[N@@H+](Cc2noc3c2CCCC3)C[C@@H]2CCCO2)cc1 ZINC000108856597 1128669279 /nfs/dbraw/zinc/66/92/79/1128669279.db2.gz STCSPACGNFTXOP-KRWDZBQOSA-N 1 2 326.440 3.735 20 0 EHADLO c1ccc(C[N@H+](Cc2noc3c2CCCC3)C[C@@H]2CCCO2)cc1 ZINC000108856597 1128669280 /nfs/dbraw/zinc/66/92/80/1128669280.db2.gz STCSPACGNFTXOP-KRWDZBQOSA-N 1 2 326.440 3.735 20 0 EHADLO COc1cc(Br)ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000542855560 1128695451 /nfs/dbraw/zinc/69/54/51/1128695451.db2.gz SXQHEAZNIJKPKH-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO COc1cc(Br)ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000542855560 1128695454 /nfs/dbraw/zinc/69/54/54/1128695454.db2.gz SXQHEAZNIJKPKH-GFCCVEGCSA-N 1 2 335.245 3.836 20 0 EHADLO Clc1ccc(Cl)c(C[NH2+]Cc2cnc3n2CCOC3)c1Cl ZINC000921756694 1128732179 /nfs/dbraw/zinc/73/21/79/1128732179.db2.gz XKCGVLIABZNJSQ-UHFFFAOYSA-N 1 2 346.645 3.663 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](Cc3cccc(F)c3)C3CC3)cs2)cn1 ZINC000060478794 1128732799 /nfs/dbraw/zinc/73/27/99/1128732799.db2.gz YICNKVQDNBTBEX-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](Cc3cccc(F)c3)C3CC3)cs2)cn1 ZINC000060478794 1128732802 /nfs/dbraw/zinc/73/28/02/1128732802.db2.gz YICNKVQDNBTBEX-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269261816 1128755985 /nfs/dbraw/zinc/75/59/85/1128755985.db2.gz BLXZFZHHLCMVJO-RHSMWYFYSA-N 1 2 338.455 3.721 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269261817 1128756112 /nfs/dbraw/zinc/75/61/12/1128756112.db2.gz BLXZFZHHLCMVJO-WMLDXEAASA-N 1 2 338.455 3.721 20 0 EHADLO COC(=O)c1coc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000338734706 1128787210 /nfs/dbraw/zinc/78/72/10/1128787210.db2.gz OVGRIEWBZLOUEG-SJKOYZFVSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1coc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000338734706 1128787211 /nfs/dbraw/zinc/78/72/11/1128787211.db2.gz OVGRIEWBZLOUEG-SJKOYZFVSA-N 1 2 329.396 3.947 20 0 EHADLO CC[NH2+]Cc1noc([C@H](C)Sc2ccc(Br)cc2)n1 ZINC000843144212 1128791395 /nfs/dbraw/zinc/79/13/95/1128791395.db2.gz OAYSIAAKSDDCIX-VIFPVBQESA-N 1 2 342.262 3.795 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000061800652 1128792041 /nfs/dbraw/zinc/79/20/41/1128792041.db2.gz IXLWNGIPNIMNPD-UHFFFAOYSA-N 1 2 330.497 3.927 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061800652 1128792043 /nfs/dbraw/zinc/79/20/43/1128792043.db2.gz IXLWNGIPNIMNPD-UHFFFAOYSA-N 1 2 330.497 3.927 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000542912513 1128833593 /nfs/dbraw/zinc/83/35/93/1128833593.db2.gz ZOIRAXOYXRKEQA-LJQANCHMSA-N 1 2 340.398 3.866 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000357173784 1128834777 /nfs/dbraw/zinc/83/47/77/1128834777.db2.gz UCSFNXMUTBJCCD-UHFFFAOYSA-N 1 2 329.444 3.518 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000357173784 1128834781 /nfs/dbraw/zinc/83/47/81/1128834781.db2.gz UCSFNXMUTBJCCD-UHFFFAOYSA-N 1 2 329.444 3.518 20 0 EHADLO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933489 1128868741 /nfs/dbraw/zinc/86/87/41/1128868741.db2.gz OETADKNZVXNMOU-XHDPSFHLSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933489 1128868744 /nfs/dbraw/zinc/86/87/44/1128868744.db2.gz OETADKNZVXNMOU-XHDPSFHLSA-N 1 2 345.270 3.821 20 0 EHADLO Clc1cccc2c1SCC[C@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000354968884 1128887193 /nfs/dbraw/zinc/88/71/93/1128887193.db2.gz PZEVGAXVQDHYPF-CYBMUJFWSA-N 1 2 334.876 3.595 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000007918435 1128892203 /nfs/dbraw/zinc/89/22/03/1128892203.db2.gz DJXXWQOXQQKDFY-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000007918435 1128892209 /nfs/dbraw/zinc/89/22/09/1128892209.db2.gz DJXXWQOXQQKDFY-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110038522 1120132486 /nfs/dbraw/zinc/13/24/86/1120132486.db2.gz AHXYCNWRUJUOBV-QGZVFWFLSA-N 1 2 329.831 3.728 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110038522 1120132487 /nfs/dbraw/zinc/13/24/87/1120132487.db2.gz AHXYCNWRUJUOBV-QGZVFWFLSA-N 1 2 329.831 3.728 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3csc(N(C)C)n3)s2)o1 ZINC000129048821 1120140423 /nfs/dbraw/zinc/14/04/23/1120140423.db2.gz ZPQJGLIEZLHJDK-UHFFFAOYSA-N 1 2 334.470 3.524 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c(C)o1 ZINC000660481277 1128895221 /nfs/dbraw/zinc/89/52/21/1128895221.db2.gz LTDQOVJDXMVPFZ-CYBMUJFWSA-N 1 2 337.217 3.667 20 0 EHADLO CC(C)C[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000184885239 1120391879 /nfs/dbraw/zinc/39/18/79/1120391879.db2.gz VBWPBRLBVKLJAY-OAHLLOKOSA-N 1 2 329.444 3.718 20 0 EHADLO CC(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185244325 1120406226 /nfs/dbraw/zinc/40/62/26/1120406226.db2.gz MNIPUXOAGWOTKU-GVDBMIGSSA-N 1 2 332.488 3.917 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000185314366 1120408699 /nfs/dbraw/zinc/40/86/99/1120408699.db2.gz ZLOMUHJIPAGGKU-CYBMUJFWSA-N 1 2 333.382 3.995 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000185314366 1120408703 /nfs/dbraw/zinc/40/87/03/1120408703.db2.gz ZLOMUHJIPAGGKU-CYBMUJFWSA-N 1 2 333.382 3.995 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1 ZINC000185595763 1120420199 /nfs/dbraw/zinc/42/01/99/1120420199.db2.gz WMXOLKPKGFIOEH-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1 ZINC000185595763 1120420203 /nfs/dbraw/zinc/42/02/03/1120420203.db2.gz WMXOLKPKGFIOEH-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(c1cnc(-c2ccsc2)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000112280773 1128916998 /nfs/dbraw/zinc/91/69/98/1128916998.db2.gz QSOKZQRJBPHFKX-UHFFFAOYSA-N 1 2 344.465 3.545 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186569410 1120466449 /nfs/dbraw/zinc/46/64/49/1120466449.db2.gz BFNWQRBRQPIZDC-WIYYLYMNSA-N 1 2 343.515 3.829 20 0 EHADLO CCC1(CC)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000186683704 1120470529 /nfs/dbraw/zinc/47/05/29/1120470529.db2.gz NNNDXHOSWTYVHC-UHFFFAOYSA-N 1 2 344.503 3.662 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)C1CCCCC1 ZINC000186775324 1120474247 /nfs/dbraw/zinc/47/42/47/1120474247.db2.gz FADVBOAEEIMMRW-UHFFFAOYSA-N 1 2 329.893 3.898 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)C1CCCCC1 ZINC000186775324 1120474251 /nfs/dbraw/zinc/47/42/51/1120474251.db2.gz FADVBOAEEIMMRW-UHFFFAOYSA-N 1 2 329.893 3.898 20 0 EHADLO O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000064321456 1128921202 /nfs/dbraw/zinc/92/12/02/1128921202.db2.gz JKSIBVAELHFSRU-UHFFFAOYSA-N 1 2 349.409 3.880 20 0 EHADLO OCC[N@H+](Cc1ncc(-c2ccccc2F)o1)Cc1cccc(F)c1 ZINC000494254761 1120515909 /nfs/dbraw/zinc/51/59/09/1120515909.db2.gz UVXYLFADHDWXOG-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1ncc(-c2ccccc2F)o1)Cc1cccc(F)c1 ZINC000494254761 1120515913 /nfs/dbraw/zinc/51/59/13/1120515913.db2.gz UVXYLFADHDWXOG-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1cccc(F)c1 ZINC000494291585 1120527457 /nfs/dbraw/zinc/52/74/57/1120527457.db2.gz XXQBEIMMUNDUOT-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO OCC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1cccc(F)c1 ZINC000494291585 1120527462 /nfs/dbraw/zinc/52/74/62/1120527462.db2.gz XXQBEIMMUNDUOT-UHFFFAOYSA-N 1 2 344.361 3.614 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000609203526 1120558771 /nfs/dbraw/zinc/55/87/71/1120558771.db2.gz GSVWAVKCMXYJOF-UHFFFAOYSA-N 1 2 331.334 3.503 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000609203526 1120558774 /nfs/dbraw/zinc/55/87/74/1120558774.db2.gz GSVWAVKCMXYJOF-UHFFFAOYSA-N 1 2 331.334 3.503 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168465978 1120607084 /nfs/dbraw/zinc/60/70/84/1120607084.db2.gz AGIJRBXEYIJPBN-KUHUBIRLSA-N 1 2 347.405 3.660 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccccc1OCC(F)(F)F)C1CCC1 ZINC000190091587 1120625528 /nfs/dbraw/zinc/62/55/28/1120625528.db2.gz HIKUABQOHTYVJV-LBPRGKRZSA-N 1 2 345.361 3.544 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CCC1 ZINC000190091587 1120625530 /nfs/dbraw/zinc/62/55/30/1120625530.db2.gz HIKUABQOHTYVJV-LBPRGKRZSA-N 1 2 345.361 3.544 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@H]1C(F)(F)F ZINC000190155953 1120627973 /nfs/dbraw/zinc/62/79/73/1120627973.db2.gz APQYOYWSOLRPHL-CYBMUJFWSA-N 1 2 332.341 3.675 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(F)c2)CC[C@H]1C(F)(F)F ZINC000190155953 1120627977 /nfs/dbraw/zinc/62/79/77/1120627977.db2.gz APQYOYWSOLRPHL-CYBMUJFWSA-N 1 2 332.341 3.675 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190190146 1120629176 /nfs/dbraw/zinc/62/91/76/1120629176.db2.gz YJVLSCJODONMEU-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190190146 1120629180 /nfs/dbraw/zinc/62/91/80/1120629180.db2.gz YJVLSCJODONMEU-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000190411414 1120636997 /nfs/dbraw/zinc/63/69/97/1120636997.db2.gz ZGLBDGRJNPPDMM-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000190411414 1120636998 /nfs/dbraw/zinc/63/69/98/1120636998.db2.gz ZGLBDGRJNPPDMM-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1F ZINC000190457067 1120638598 /nfs/dbraw/zinc/63/85/98/1120638598.db2.gz FMDFYMVXIJGYGJ-UHFFFAOYSA-N 1 2 349.837 3.770 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000494625433 1120705258 /nfs/dbraw/zinc/70/52/58/1120705258.db2.gz KQXNNFAOXBSXBX-MNOVXSKESA-N 1 2 335.454 3.552 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000494807062 1120846291 /nfs/dbraw/zinc/84/62/91/1120846291.db2.gz GPEAABIOXLCGPL-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000194954888 1120873104 /nfs/dbraw/zinc/87/31/04/1120873104.db2.gz QMCMRVWAXNMKID-GOSISDBHSA-N 1 2 334.822 3.636 20 0 EHADLO CC(C)(C)c1ccc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001127309978 1120901762 /nfs/dbraw/zinc/90/17/62/1120901762.db2.gz LIXJFLINQTXXTQ-DLENHJPASA-N 1 2 349.478 3.787 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000914567438 1120902800 /nfs/dbraw/zinc/90/28/00/1120902800.db2.gz ZJLBSBKVHPVDDE-UHFFFAOYSA-N 1 2 335.473 3.884 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000914567438 1120902803 /nfs/dbraw/zinc/90/28/03/1120902803.db2.gz ZJLBSBKVHPVDDE-UHFFFAOYSA-N 1 2 335.473 3.884 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000053421430 1120959502 /nfs/dbraw/zinc/95/95/02/1120959502.db2.gz RKYJRJXTDWTVEF-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000053421430 1120959505 /nfs/dbraw/zinc/95/95/05/1120959505.db2.gz RKYJRJXTDWTVEF-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO C[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@H]1CCCCO1 ZINC000230343180 1121001860 /nfs/dbraw/zinc/00/18/60/1121001860.db2.gz PABJMIOQUXZSLM-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO C[N@H+](Cc1c(F)ccc(Br)c1F)C[C@H]1CCCCO1 ZINC000230343180 1121001864 /nfs/dbraw/zinc/00/18/64/1121001864.db2.gz PABJMIOQUXZSLM-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCCC[C@H]2C2CC2)c1C ZINC000648755454 1121005214 /nfs/dbraw/zinc/00/52/14/1121005214.db2.gz DBTQOYGPOOIBTO-IRXDYDNUSA-N 1 2 330.472 3.882 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455404 1121149195 /nfs/dbraw/zinc/14/91/95/1121149195.db2.gz JTUCZHXYVZLXNG-XJKSGUPXSA-N 1 2 340.870 3.996 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455404 1121149199 /nfs/dbraw/zinc/14/91/99/1121149199.db2.gz JTUCZHXYVZLXNG-XJKSGUPXSA-N 1 2 340.870 3.996 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)C[C@H](C)O1 ZINC000303520058 1121155487 /nfs/dbraw/zinc/15/54/87/1121155487.db2.gz YUVXDZAUGJWYAM-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)C[C@H](C)O1 ZINC000303520058 1121155489 /nfs/dbraw/zinc/15/54/89/1121155489.db2.gz YUVXDZAUGJWYAM-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1OC(F)F ZINC000157076788 1128966577 /nfs/dbraw/zinc/96/65/77/1128966577.db2.gz WHIDPOJLEJMUFC-JTQLQIEISA-N 1 2 327.400 3.661 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)Nc1ccccc1OCC(F)F ZINC000762219526 1121185010 /nfs/dbraw/zinc/18/50/10/1121185010.db2.gz AKSRJXXSQKCPTG-UHFFFAOYSA-N 1 2 332.310 3.622 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000762500828 1121329372 /nfs/dbraw/zinc/32/93/72/1121329372.db2.gz GJSWPVWJHDVHDJ-SFHVURJKSA-N 1 2 328.431 3.521 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC4(CCCC4)CC3)n2c(C)c1C ZINC000153577151 1121351018 /nfs/dbraw/zinc/35/10/18/1121351018.db2.gz KESGBLJQPZLVTR-UHFFFAOYSA-N 1 2 345.516 3.799 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000542570203 1121435673 /nfs/dbraw/zinc/43/56/73/1121435673.db2.gz WYCCJRSJXZAWCY-CYBMUJFWSA-N 1 2 339.370 3.770 20 0 EHADLO COc1ccc(C[C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000237436557 1121484393 /nfs/dbraw/zinc/48/43/93/1121484393.db2.gz TZQQHYQORNHWPB-HNNXBMFYSA-N 1 2 341.455 3.742 20 0 EHADLO O=C(Nc1ccc(C2CC2)cn1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000888280402 1121510914 /nfs/dbraw/zinc/51/09/14/1121510914.db2.gz MXPBXICDKZTECD-UHFFFAOYSA-N 1 2 347.422 3.520 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000763112366 1121685524 /nfs/dbraw/zinc/68/55/24/1121685524.db2.gz JLTRMWVBAKOBIT-UHFFFAOYSA-N 1 2 333.800 3.517 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000041284093 1121701754 /nfs/dbraw/zinc/70/17/54/1121701754.db2.gz QWISLLPGEYXQNW-UHFFFAOYSA-N 1 2 343.814 3.794 20 0 EHADLO O=C(COc1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225479 1121749459 /nfs/dbraw/zinc/74/94/59/1121749459.db2.gz VVDJAPXPFUQOIV-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000025445813 1121760850 /nfs/dbraw/zinc/76/08/50/1121760850.db2.gz JKKKCJDXHKRQIV-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000025445813 1121760856 /nfs/dbraw/zinc/76/08/56/1121760856.db2.gz JKKKCJDXHKRQIV-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO CC(C)OCc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696192 1121857343 /nfs/dbraw/zinc/85/73/43/1121857343.db2.gz WEGJGZJMAHPAOL-UHFFFAOYSA-N 1 2 349.434 3.727 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1F ZINC000444127592 1121868508 /nfs/dbraw/zinc/86/85/08/1121868508.db2.gz OHSCDDSAFNEDHT-ZBFHGGJFSA-N 1 2 344.434 3.518 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000055712658 1121872756 /nfs/dbraw/zinc/87/27/56/1121872756.db2.gz OIDSRZZCNSCMKF-SFHVURJKSA-N 1 2 337.810 3.943 20 0 EHADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466948 1121881635 /nfs/dbraw/zinc/88/16/35/1121881635.db2.gz DUHFOYUZBSTJHW-SJORKVTESA-N 1 2 328.460 3.537 20 0 EHADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466948 1121881639 /nfs/dbraw/zinc/88/16/39/1121881639.db2.gz DUHFOYUZBSTJHW-SJORKVTESA-N 1 2 328.460 3.537 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)CCc2ccccc2)cs1 ZINC000347469964 1121903426 /nfs/dbraw/zinc/90/34/26/1121903426.db2.gz UXDYSYUZGAQCSZ-QAPCUYQASA-N 1 2 348.512 3.666 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CCc2ccccc2)cs1 ZINC000347469964 1121903434 /nfs/dbraw/zinc/90/34/34/1121903434.db2.gz UXDYSYUZGAQCSZ-QAPCUYQASA-N 1 2 348.512 3.666 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485325 1121921067 /nfs/dbraw/zinc/92/10/67/1121921067.db2.gz BLODYOXETKCZKK-CQSZACIVSA-N 1 2 346.862 3.940 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000763276016 1121936841 /nfs/dbraw/zinc/93/68/41/1121936841.db2.gz FHCGPFGJBDUADJ-GOSISDBHSA-N 1 2 341.430 3.808 20 0 EHADLO COC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1F ZINC000672611400 1129022956 /nfs/dbraw/zinc/02/29/56/1129022956.db2.gz ABWRRVMSGHMZJF-KRWDZBQOSA-N 1 2 347.821 3.875 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1OC(F)F)C2 ZINC000077409696 1129026438 /nfs/dbraw/zinc/02/64/38/1129026438.db2.gz HDEBPJQFUZVNJG-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC000077409696 1129026441 /nfs/dbraw/zinc/02/64/41/1129026441.db2.gz HDEBPJQFUZVNJG-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO CC[C@@H](CSc1ccccc1)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127413714 1122230412 /nfs/dbraw/zinc/23/04/12/1122230412.db2.gz PHGJRJIPUZIQTK-INIZCTEOSA-N 1 2 339.464 3.943 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3ccc(F)cc3)cn2c1 ZINC000123508446 1122255669 /nfs/dbraw/zinc/25/56/69/1122255669.db2.gz LGVHLAXXPYQWHL-UHFFFAOYSA-N 1 2 343.427 3.678 20 0 EHADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ncccc1F ZINC000126398807 1122403864 /nfs/dbraw/zinc/40/38/64/1122403864.db2.gz LMOOEJDBOFIPMD-UHFFFAOYSA-N 1 2 346.356 3.591 20 0 EHADLO CN(C)c1nnc(SCc2c[nH+]c(N(C)C)c3ccccc23)s1 ZINC000917024415 1122442621 /nfs/dbraw/zinc/44/26/21/1122442621.db2.gz NTAKNHLGMOTLCW-UHFFFAOYSA-N 1 2 345.497 3.511 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154266452 1122463566 /nfs/dbraw/zinc/46/35/66/1122463566.db2.gz HCECQDOKIYYVKN-UHFFFAOYSA-N 1 2 349.765 3.847 20 0 EHADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)NCC1CCC1 ZINC000066473678 1122470720 /nfs/dbraw/zinc/47/07/20/1122470720.db2.gz SKMGTNMLDKPSOK-UHFFFAOYSA-N 1 2 334.510 3.728 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127555763 1122493236 /nfs/dbraw/zinc/49/32/36/1122493236.db2.gz HNWYNFGKRKGBGZ-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127555763 1122493238 /nfs/dbraw/zinc/49/32/38/1122493238.db2.gz HNWYNFGKRKGBGZ-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CCC2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127686332 1122502263 /nfs/dbraw/zinc/50/22/63/1122502263.db2.gz OUSBZLQJJYBQCZ-MJGOQNOKSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CCC2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127686332 1122502269 /nfs/dbraw/zinc/50/22/69/1122502269.db2.gz OUSBZLQJJYBQCZ-MJGOQNOKSA-N 1 2 336.426 3.797 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)c1nc(-c3ccccc3)no1)CC2 ZINC000067462706 1122515665 /nfs/dbraw/zinc/51/56/65/1122515665.db2.gz XQFOHRAPAIIXTJ-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1nc(-c3ccccc3)no1)CC2 ZINC000067462706 1122515670 /nfs/dbraw/zinc/51/56/70/1122515670.db2.gz XQFOHRAPAIIXTJ-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO CCc1cc(=O)[nH]c(SCc2c[nH+]c(N(C)C)c3ccccc23)n1 ZINC000917513477 1122623771 /nfs/dbraw/zinc/62/37/71/1122623771.db2.gz UFKCVIWMBIHRDK-UHFFFAOYSA-N 1 2 340.452 3.651 20 0 EHADLO COc1ccc2oc(C(=O)NNc3cc[nH+]cc3Cl)c(C)c2c1 ZINC000154442446 1122634143 /nfs/dbraw/zinc/63/41/43/1122634143.db2.gz ICLQKRIYTMDQPK-UHFFFAOYSA-N 1 2 331.759 3.555 20 0 EHADLO CCCC[NH+](CCCC)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000917615023 1122653533 /nfs/dbraw/zinc/65/35/33/1122653533.db2.gz FOHJWPMKOIQLEH-UHFFFAOYSA-N 1 2 345.409 3.999 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1nccn1-c1ccccc1 ZINC000672781004 1129071413 /nfs/dbraw/zinc/07/14/13/1129071413.db2.gz ZDPHRNDFXLOTTJ-HNNXBMFYSA-N 1 2 331.423 3.610 20 0 EHADLO FC(F)O[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000679681501 1129075008 /nfs/dbraw/zinc/07/50/08/1129075008.db2.gz IGQRQBVPJCUZGN-QMMMGPOBSA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000679681501 1129075011 /nfs/dbraw/zinc/07/50/11/1129075011.db2.gz IGQRQBVPJCUZGN-QMMMGPOBSA-N 1 2 326.206 3.714 20 0 EHADLO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000129421619 1122779067 /nfs/dbraw/zinc/77/90/67/1122779067.db2.gz PDHKAPQOAXHBIA-OAHLLOKOSA-N 1 2 335.407 3.698 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000069519610 1122787733 /nfs/dbraw/zinc/78/77/33/1122787733.db2.gz DUUIHABSIHJCNB-NSHDSACASA-N 1 2 326.849 3.646 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000069519610 1122787736 /nfs/dbraw/zinc/78/77/36/1122787736.db2.gz DUUIHABSIHJCNB-NSHDSACASA-N 1 2 326.849 3.646 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)NNc1cc[nH+]cc1Cl ZINC000154705312 1122793840 /nfs/dbraw/zinc/79/38/40/1122793840.db2.gz HPWUVTZWOMGWLK-ZDUSSCGKSA-N 1 2 345.830 3.697 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001123796681 1122798780 /nfs/dbraw/zinc/79/87/80/1122798780.db2.gz ZCOFPALDXLONBG-UHFFFAOYSA-N 1 2 338.864 3.570 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2nnc[nH]2)cc1 ZINC000556117899 1122825332 /nfs/dbraw/zinc/82/53/32/1122825332.db2.gz IKQHJYGZRIUCDP-MRXNPFEDSA-N 1 2 348.784 3.658 20 0 EHADLO CC[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000444887470 1122868398 /nfs/dbraw/zinc/86/83/98/1122868398.db2.gz NFCXOQLGXMYWND-WMZOPIPTSA-N 1 2 340.471 3.503 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 ZINC000444932226 1122885541 /nfs/dbraw/zinc/88/55/41/1122885541.db2.gz TVUBPPVYJBHQAO-INIZCTEOSA-N 1 2 349.438 3.827 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn2ccccc2n1)c1ccc(Br)cn1 ZINC000556244576 1122895384 /nfs/dbraw/zinc/89/53/84/1122895384.db2.gz DOJFEJFXXHDQCK-NEPJUHHUSA-N 1 2 345.244 3.904 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738923 1122902403 /nfs/dbraw/zinc/90/24/03/1122902403.db2.gz BCBSXHTURNERAY-DGCLKSJQSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738923 1122902405 /nfs/dbraw/zinc/90/24/05/1122902405.db2.gz BCBSXHTURNERAY-DGCLKSJQSA-N 1 2 328.815 3.751 20 0 EHADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483415 1122939695 /nfs/dbraw/zinc/93/96/95/1122939695.db2.gz JUEUQMCFXNGNNP-CJNGLKHVSA-N 1 2 340.870 3.852 20 0 EHADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483415 1122939699 /nfs/dbraw/zinc/93/96/99/1122939699.db2.gz JUEUQMCFXNGNNP-CJNGLKHVSA-N 1 2 340.870 3.852 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3[nH]2)cc1OC(F)F ZINC000130407673 1122948451 /nfs/dbraw/zinc/94/84/51/1122948451.db2.gz ZOICFIKAMSTMQF-UHFFFAOYSA-N 1 2 347.365 3.805 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)cc1OC(F)F ZINC000130407673 1122948456 /nfs/dbraw/zinc/94/84/56/1122948456.db2.gz ZOICFIKAMSTMQF-UHFFFAOYSA-N 1 2 347.365 3.805 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000131316606 1123079839 /nfs/dbraw/zinc/07/98/39/1123079839.db2.gz MOOBJZPRSRPPPZ-FQEVSTJZSA-N 1 2 338.451 3.940 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000131316606 1123079843 /nfs/dbraw/zinc/07/98/43/1123079843.db2.gz MOOBJZPRSRPPPZ-FQEVSTJZSA-N 1 2 338.451 3.940 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CCC(C(F)F)CC1)C2 ZINC000556731534 1123097670 /nfs/dbraw/zinc/09/76/70/1123097670.db2.gz LTFXIAPMDISPRI-OTTFEQOBSA-N 1 2 339.430 3.578 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCC(C(F)F)CC1)CC2 ZINC000556731534 1123097673 /nfs/dbraw/zinc/09/76/73/1123097673.db2.gz LTFXIAPMDISPRI-OTTFEQOBSA-N 1 2 339.430 3.578 20 0 EHADLO COc1ccc(C[C@H](C)C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000131449729 1123111006 /nfs/dbraw/zinc/11/10/06/1123111006.db2.gz YGYBPVMXBWKNFK-HNNXBMFYSA-N 1 2 335.407 3.698 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674329 1123140870 /nfs/dbraw/zinc/14/08/70/1123140870.db2.gz OGJQRWJGCZMPKH-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO C[C@H]1CC(Nc2[nH+]ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000556839624 1123144739 /nfs/dbraw/zinc/14/47/39/1123144739.db2.gz NKHACRHYKRCBTH-QWRGUYRKSA-N 1 2 335.245 3.787 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1csc(C2CC2)n1 ZINC000556859228 1123155407 /nfs/dbraw/zinc/15/54/07/1123155407.db2.gz SUFZJMIXPDJAJG-HDJSIYSDSA-N 1 2 342.468 3.569 20 0 EHADLO CSc1ccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000072802199 1123160437 /nfs/dbraw/zinc/16/04/37/1123160437.db2.gz WWKDHSPEPDOUNT-UHFFFAOYSA-N 1 2 332.391 3.621 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802166 1123160593 /nfs/dbraw/zinc/16/05/93/1123160593.db2.gz RBPQDOJGVDECSO-UHFFFAOYSA-N 1 2 329.341 3.970 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132058391 1123199105 /nfs/dbraw/zinc/19/91/05/1123199105.db2.gz YMVBLTXEGXEZHE-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000919941892 1123240313 /nfs/dbraw/zinc/24/03/13/1123240313.db2.gz AOQCCAAJBBDXDL-UHFFFAOYSA-N 1 2 339.848 3.737 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000919941892 1123240317 /nfs/dbraw/zinc/24/03/17/1123240317.db2.gz AOQCCAAJBBDXDL-UHFFFAOYSA-N 1 2 339.848 3.737 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132520998 1123242274 /nfs/dbraw/zinc/24/22/74/1123242274.db2.gz DERYXWVJDVVUQK-OAHLLOKOSA-N 1 2 325.456 3.665 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132520998 1123242278 /nfs/dbraw/zinc/24/22/78/1123242278.db2.gz DERYXWVJDVVUQK-OAHLLOKOSA-N 1 2 325.456 3.665 20 0 EHADLO CC(C)C[C@H](c1nc(CO[C@@H]2CCCC[C@@H]2C)no1)n1cc[nH+]c1 ZINC000923869865 1123259368 /nfs/dbraw/zinc/25/93/68/1123259368.db2.gz BMMKUNIGVJSBTO-ARFHVFGLSA-N 1 2 332.448 3.997 20 0 EHADLO COc1cccc(C2(C(=O)Nc3ccn4cc[nH+]c4c3)CCCC2)c1 ZINC000557020291 1123267234 /nfs/dbraw/zinc/26/72/34/1123267234.db2.gz QFOPVODEZVCFMT-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1Cl ZINC000557022801 1123268113 /nfs/dbraw/zinc/26/81/13/1123268113.db2.gz OCUMELWHPADINY-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1Cl ZINC000557022801 1123268115 /nfs/dbraw/zinc/26/81/15/1123268115.db2.gz OCUMELWHPADINY-CQSZACIVSA-N 1 2 332.806 3.907 20 0 EHADLO CCOc1ccc(OC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000920244335 1123346836 /nfs/dbraw/zinc/34/68/36/1123346836.db2.gz PFBMWBCTNSYJEJ-IBGZPJMESA-N 1 2 325.408 3.655 20 0 EHADLO CCOc1ccc(OC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000920244335 1123346840 /nfs/dbraw/zinc/34/68/40/1123346840.db2.gz PFBMWBCTNSYJEJ-IBGZPJMESA-N 1 2 325.408 3.655 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1nccn1Cc1ccccc1 ZINC000075608883 1123406476 /nfs/dbraw/zinc/40/64/76/1123406476.db2.gz IVDPPEKQMQQGQA-UHFFFAOYSA-N 1 2 339.414 3.581 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nccn1Cc1ccccc1 ZINC000075608883 1123406479 /nfs/dbraw/zinc/40/64/79/1123406479.db2.gz IVDPPEKQMQQGQA-UHFFFAOYSA-N 1 2 339.414 3.581 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 ZINC000352906791 1123407169 /nfs/dbraw/zinc/40/71/69/1123407169.db2.gz DJHXKGBSRXFLOO-NSHDSACASA-N 1 2 336.798 3.624 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2C1 ZINC000920768883 1123422358 /nfs/dbraw/zinc/42/23/58/1123422358.db2.gz WOSJNFPESASWAK-GUYCJALGSA-N 1 2 345.512 3.914 20 0 EHADLO CCCC(CCC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000133734270 1123426368 /nfs/dbraw/zinc/42/63/68/1123426368.db2.gz NZRTVDSAERAOOB-UHFFFAOYSA-N 1 2 332.488 3.982 20 0 EHADLO C[C@@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875578 1123434778 /nfs/dbraw/zinc/43/47/78/1123434778.db2.gz PWYKBHYRXRONPY-FMKPAKJESA-N 1 2 344.484 3.517 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000133805236 1123438294 /nfs/dbraw/zinc/43/82/94/1123438294.db2.gz ZZBMZQGJLGAQIN-INIZCTEOSA-N 1 2 343.446 3.727 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969402 1123448400 /nfs/dbraw/zinc/44/84/00/1123448400.db2.gz QLOUUCSBKWUGJV-GFCCVEGCSA-N 1 2 328.378 3.850 20 0 EHADLO CCc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000921143999 1123476522 /nfs/dbraw/zinc/47/65/22/1123476522.db2.gz YNSGLBNLVGAQCB-UHFFFAOYSA-N 1 2 336.464 3.921 20 0 EHADLO CC[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921201099 1123478368 /nfs/dbraw/zinc/47/83/68/1123478368.db2.gz KSEOYBQWHBTBRL-GOSISDBHSA-N 1 2 348.450 3.865 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201331 1123478429 /nfs/dbraw/zinc/47/84/29/1123478429.db2.gz JIUYOKBEJFCQJF-MRXNPFEDSA-N 1 2 328.460 3.886 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076385684 1123490914 /nfs/dbraw/zinc/49/09/14/1123490914.db2.gz CJGFXQRVVNBOSD-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2ccccn2)CC1 ZINC000064306240 1123558250 /nfs/dbraw/zinc/55/82/50/1123558250.db2.gz DTHCPBMWJABKEL-UHFFFAOYSA-N 1 2 332.810 3.938 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000174950214 1123558875 /nfs/dbraw/zinc/55/88/75/1123558875.db2.gz FJIUXORWWPGAFE-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000174950214 1123558878 /nfs/dbraw/zinc/55/88/78/1123558878.db2.gz FJIUXORWWPGAFE-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)c(Cl)c1OC ZINC000134909827 1123564036 /nfs/dbraw/zinc/56/40/36/1123564036.db2.gz ZNPMFDWYMQGXSY-JTQLQIEISA-N 1 2 326.849 3.973 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)[C@@H]1C ZINC000174958145 1123565399 /nfs/dbraw/zinc/56/53/99/1123565399.db2.gz SQPZEPIQVHRXJW-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)[C@@H]1C ZINC000174958145 1123565402 /nfs/dbraw/zinc/56/54/02/1123565402.db2.gz SQPZEPIQVHRXJW-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(F)c1 ZINC000136458826 1123697379 /nfs/dbraw/zinc/69/73/79/1123697379.db2.gz BDYMEZPEUJTHIP-UHFFFAOYSA-N 1 2 334.416 3.628 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1CCC(C)C ZINC000137090425 1123750021 /nfs/dbraw/zinc/75/00/21/1123750021.db2.gz ARELREYSLGUGNP-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO CCC[N@@H+](Cc1nc([C@H](C)SCC)no1)C[C@@H]1CCCCO1 ZINC000137240008 1123755485 /nfs/dbraw/zinc/75/54/85/1123755485.db2.gz YQIXYCFQIRCVGF-KBPBESRZSA-N 1 2 327.494 3.665 20 0 EHADLO CCC[N@H+](Cc1nc([C@H](C)SCC)no1)C[C@@H]1CCCCO1 ZINC000137240008 1123755489 /nfs/dbraw/zinc/75/54/89/1123755489.db2.gz YQIXYCFQIRCVGF-KBPBESRZSA-N 1 2 327.494 3.665 20 0 EHADLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1CCC(C)C ZINC000137494035 1123763203 /nfs/dbraw/zinc/76/32/03/1123763203.db2.gz IRVZYBDQCKGUIQ-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1c(F)cccc1F ZINC000615333523 1123783099 /nfs/dbraw/zinc/78/30/99/1123783099.db2.gz DZVRTMAHEABSBN-ZJUUUORDSA-N 1 2 340.320 3.921 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000245505965 1123852414 /nfs/dbraw/zinc/85/24/14/1123852414.db2.gz GQXAJKQQDDVOKF-IYARVYRRSA-N 1 2 329.488 3.760 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000615710820 1123861258 /nfs/dbraw/zinc/86/12/58/1123861258.db2.gz XBWLJWOHWRHLSG-PBFPGSCMSA-N 1 2 347.821 3.584 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577408 1123881086 /nfs/dbraw/zinc/88/10/86/1123881086.db2.gz FQRCXKDTRVSTTB-DLBZAZTESA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577408 1123881093 /nfs/dbraw/zinc/88/10/93/1123881093.db2.gz FQRCXKDTRVSTTB-DLBZAZTESA-N 1 2 338.854 3.921 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3nc4ccc(F)cc4s3)nc2c1 ZINC000428847141 1129155199 /nfs/dbraw/zinc/15/51/99/1129155199.db2.gz TTYYPGWMGOCMCT-UHFFFAOYSA-N 1 2 326.400 3.681 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000245867418 1123965185 /nfs/dbraw/zinc/96/51/85/1123965185.db2.gz LWDINXZYPGBGEA-GJZGRUSLSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000245867418 1123965190 /nfs/dbraw/zinc/96/51/90/1123965190.db2.gz LWDINXZYPGBGEA-GJZGRUSLSA-N 1 2 348.418 3.969 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c(=S)n1CCc1cccs1 ZINC000068867376 1124045431 /nfs/dbraw/zinc/04/54/31/1124045431.db2.gz GUFJNQLPXOSZPS-CYBMUJFWSA-N 1 2 336.530 3.716 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c(=S)n1CCc1cccs1 ZINC000068867376 1124045435 /nfs/dbraw/zinc/04/54/35/1124045435.db2.gz GUFJNQLPXOSZPS-CYBMUJFWSA-N 1 2 336.530 3.716 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC[C@@H]2C=CCC2)CC1 ZINC001687440320 1124055584 /nfs/dbraw/zinc/05/55/84/1124055584.db2.gz XGMLMGOEEGWIBJ-VQIMIIECSA-N 1 2 345.462 3.570 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143615544 1129169957 /nfs/dbraw/zinc/16/99/57/1129169957.db2.gz DUZDUMDEMGYDFP-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143615544 1129169959 /nfs/dbraw/zinc/16/99/59/1129169959.db2.gz DUZDUMDEMGYDFP-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CN(CCO)c1ccc(NCc2ccccc2-c2ccccc2)[nH+]c1 ZINC000763485607 1124494764 /nfs/dbraw/zinc/49/47/64/1124494764.db2.gz KVZMDVICUQKJNK-UHFFFAOYSA-N 1 2 333.435 3.789 20 0 EHADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246842053 1124557089 /nfs/dbraw/zinc/55/70/89/1124557089.db2.gz VFOTZIXPMFEDBY-ZIAGYGMSSA-N 1 2 331.847 3.715 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246842053 1124557096 /nfs/dbraw/zinc/55/70/96/1124557096.db2.gz VFOTZIXPMFEDBY-ZIAGYGMSSA-N 1 2 331.847 3.715 20 0 EHADLO CCC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OCC ZINC000247435439 1124610948 /nfs/dbraw/zinc/61/09/48/1124610948.db2.gz MPYDKKJWKPAQOL-FHWLQOOXSA-N 1 2 333.472 3.784 20 0 EHADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000735055212 1131304702 /nfs/dbraw/zinc/30/47/02/1131304702.db2.gz SSMKEOVBIYOBMZ-CMUBDUJZSA-N 1 2 336.426 3.648 20 0 EHADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000735055212 1131304707 /nfs/dbraw/zinc/30/47/07/1131304707.db2.gz SSMKEOVBIYOBMZ-CMUBDUJZSA-N 1 2 336.426 3.648 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccn(C4CCCC4)n3)c(C)n2n1 ZINC000090572741 1124922905 /nfs/dbraw/zinc/92/29/05/1124922905.db2.gz PCPKEXXQCSKUCD-CQSZACIVSA-N 1 2 338.459 3.509 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000091624461 1124993473 /nfs/dbraw/zinc/99/34/73/1124993473.db2.gz PNWASHWCAQXHPI-MRXNPFEDSA-N 1 2 347.480 3.977 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000091624461 1124993479 /nfs/dbraw/zinc/99/34/79/1124993479.db2.gz PNWASHWCAQXHPI-MRXNPFEDSA-N 1 2 347.480 3.977 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618182744 1125014414 /nfs/dbraw/zinc/01/44/14/1125014414.db2.gz OPMZLKQVBLOILH-HXUWFJFHSA-N 1 2 337.467 3.974 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000069797358 1125061983 /nfs/dbraw/zinc/06/19/83/1125061983.db2.gz PMFLCVZYCZNBBC-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000069797358 1125061987 /nfs/dbraw/zinc/06/19/87/1125061987.db2.gz PMFLCVZYCZNBBC-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000618440569 1125080609 /nfs/dbraw/zinc/08/06/09/1125080609.db2.gz HPWLOLCJBGITFK-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000618440569 1125080618 /nfs/dbraw/zinc/08/06/18/1125080618.db2.gz HPWLOLCJBGITFK-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1CCCc1ccccc1Cl)c1ccco1 ZINC000182020096 1125119367 /nfs/dbraw/zinc/11/93/67/1125119367.db2.gz PSDOSVDZCMLNNR-WMZOPIPTSA-N 1 2 349.858 3.690 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1CCCc1ccccc1Cl)c1ccco1 ZINC000182020096 1125119368 /nfs/dbraw/zinc/11/93/68/1125119368.db2.gz PSDOSVDZCMLNNR-WMZOPIPTSA-N 1 2 349.858 3.690 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H](CCF)C1 ZINC000618697217 1125168254 /nfs/dbraw/zinc/16/82/54/1125168254.db2.gz ATFYCRSPKBHUOP-DOTOQJQBSA-N 1 2 329.419 3.530 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000093478333 1125259471 /nfs/dbraw/zinc/25/94/71/1125259471.db2.gz CGCYRCXJWTWFLR-LJQANCHMSA-N 1 2 337.423 3.860 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000093478333 1125259474 /nfs/dbraw/zinc/25/94/74/1125259474.db2.gz CGCYRCXJWTWFLR-LJQANCHMSA-N 1 2 337.423 3.860 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000076022817 1125276762 /nfs/dbraw/zinc/27/67/62/1125276762.db2.gz QMJNYIYCHQBSHC-CRAIPNDOSA-N 1 2 327.472 3.780 20 0 EHADLO C[C@H](C[NH+]1CCOCC1)N(C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000763532162 1125325960 /nfs/dbraw/zinc/32/59/60/1125325960.db2.gz FMXJQCSCVVATDQ-QJISPJEISA-N 1 2 343.298 3.528 20 0 EHADLO Cc1ccccc1C1([NH2+]Cc2nn(C)cc2Br)CCC1 ZINC000649644486 1125332325 /nfs/dbraw/zinc/33/23/25/1125332325.db2.gz DPBHXVFBVBERML-UHFFFAOYSA-N 1 2 334.261 3.660 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(F)ccc2o1 ZINC000735468564 1131350427 /nfs/dbraw/zinc/35/04/27/1131350427.db2.gz MQBQXEUGIUBIRX-MRXNPFEDSA-N 1 2 329.375 3.613 20 0 EHADLO COc1cc(C)[nH+]c(CN(C)Cc2cccc(Br)c2)c1 ZINC000404198489 1125454839 /nfs/dbraw/zinc/45/48/39/1125454839.db2.gz NZZBJVJENNEYCP-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000114821247 1129196882 /nfs/dbraw/zinc/19/68/82/1129196882.db2.gz ADIVNKOPMXDTNG-SFHVURJKSA-N 1 2 344.503 3.650 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001128412560 1129202440 /nfs/dbraw/zinc/20/24/40/1129202440.db2.gz WRLDHQUCWQBQFX-QGZVFWFLSA-N 1 2 346.515 3.944 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001128412560 1129202444 /nfs/dbraw/zinc/20/24/44/1129202444.db2.gz WRLDHQUCWQBQFX-QGZVFWFLSA-N 1 2 346.515 3.944 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657384616 1129286322 /nfs/dbraw/zinc/28/63/22/1129286322.db2.gz VMJSSDFHZPSXAW-SFHVURJKSA-N 1 2 328.460 3.889 20 0 EHADLO O=C(CSc1ccccc1Cl)NCC[NH+]1Cc2ccccc2C1 ZINC000067744269 1129302239 /nfs/dbraw/zinc/30/22/39/1129302239.db2.gz WWKXCSBTVZKSEO-UHFFFAOYSA-N 1 2 346.883 3.564 20 0 EHADLO CSc1ccc(Cl)c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000067744404 1129302475 /nfs/dbraw/zinc/30/24/75/1129302475.db2.gz PXIQHASHKGMCPY-UHFFFAOYSA-N 1 2 346.883 3.808 20 0 EHADLO C[C@@H](CCCC(C)(C)O)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168709547 1129312248 /nfs/dbraw/zinc/31/22/48/1129312248.db2.gz WWQHWYTYKKQPEE-HNNXBMFYSA-N 1 2 329.444 3.797 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000068101506 1129342512 /nfs/dbraw/zinc/34/25/12/1129342512.db2.gz PDJNOCRNQSCXKK-QGZVFWFLSA-N 1 2 347.462 3.914 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000081316705 1129412873 /nfs/dbraw/zinc/41/28/73/1129412873.db2.gz QILFVXQNJUERTQ-QGZVFWFLSA-N 1 2 339.464 3.514 20 0 EHADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)c1 ZINC000543366351 1129439176 /nfs/dbraw/zinc/43/91/76/1129439176.db2.gz MBRWJIOQAFVSRV-QGZVFWFLSA-N 1 2 346.434 3.514 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000673521658 1129479178 /nfs/dbraw/zinc/47/91/78/1129479178.db2.gz PPHXDNNSRPGXIV-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO COC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000673521658 1129479181 /nfs/dbraw/zinc/47/91/81/1129479181.db2.gz PPHXDNNSRPGXIV-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO CCn1ncc(C[NH2+]Cc2cc(Br)c3ccccc3c2)n1 ZINC000922459882 1129540947 /nfs/dbraw/zinc/54/09/47/1129540947.db2.gz ZITLCLQPMBHGSL-UHFFFAOYSA-N 1 2 345.244 3.504 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000922483410 1129547445 /nfs/dbraw/zinc/54/74/45/1129547445.db2.gz YDSZSRSHHKQNOA-UHFFFAOYSA-N 1 2 340.652 3.535 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000922490330 1129550786 /nfs/dbraw/zinc/55/07/86/1129550786.db2.gz NVPKZHYZRJWISM-UHFFFAOYSA-N 1 2 347.381 3.652 20 0 EHADLO FC(F)COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521832 1129561684 /nfs/dbraw/zinc/56/16/84/1129561684.db2.gz YTUDDMWKHXCNOO-QAPCUYQASA-N 1 2 337.341 3.892 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000078640312 1129568018 /nfs/dbraw/zinc/56/80/18/1129568018.db2.gz WZAJMJLLDAUYPS-QWRGUYRKSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000078640312 1129568020 /nfs/dbraw/zinc/56/80/20/1129568020.db2.gz WZAJMJLLDAUYPS-QWRGUYRKSA-N 1 2 347.322 3.636 20 0 EHADLO Cc1noc2ncc(CNc3[nH+]c4ccccc4n3CC3CC3)cc12 ZINC000922558338 1129569653 /nfs/dbraw/zinc/56/96/53/1129569653.db2.gz BOUKFARFCFFBRN-UHFFFAOYSA-N 1 2 333.395 3.903 20 0 EHADLO OC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(Cl)c1F ZINC000499936132 1129578410 /nfs/dbraw/zinc/57/84/10/1129578410.db2.gz MSNDQUGWIPHFSP-ZDUSSCGKSA-N 1 2 345.748 3.904 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cc(C(F)(F)F)c1 ZINC000922577240 1129578894 /nfs/dbraw/zinc/57/88/94/1129578894.db2.gz OUFWBPXKASIXPE-HNNXBMFYSA-N 1 2 337.345 3.745 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1nc3c(s1)C[C@H](C)CC3)n2C ZINC000347755961 1129691699 /nfs/dbraw/zinc/69/16/99/1129691699.db2.gz QQTBBUZWKQYTEY-CYBMUJFWSA-N 1 2 340.496 3.753 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625194892 1129758215 /nfs/dbraw/zinc/75/82/15/1129758215.db2.gz KUVRSQXELVVQNQ-LBPRGKRZSA-N 1 2 343.814 3.758 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128519877 1129764491 /nfs/dbraw/zinc/76/44/91/1129764491.db2.gz YOGCJTNHYRJAQK-UYAOXDASSA-N 1 2 338.451 3.639 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282422745 1129777262 /nfs/dbraw/zinc/77/72/62/1129777262.db2.gz RHCGWTITYPTKDS-SJORKVTESA-N 1 2 346.377 3.610 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282422745 1129777263 /nfs/dbraw/zinc/77/72/63/1129777263.db2.gz RHCGWTITYPTKDS-SJORKVTESA-N 1 2 346.377 3.610 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nccn2Cc2ccccc2)cc(C)c1O ZINC000347787556 1129781427 /nfs/dbraw/zinc/78/14/27/1129781427.db2.gz SCHPAOIBIOQHKN-UHFFFAOYSA-N 1 2 335.451 3.886 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)cc(C)c1O ZINC000347787556 1129781429 /nfs/dbraw/zinc/78/14/29/1129781429.db2.gz SCHPAOIBIOQHKN-UHFFFAOYSA-N 1 2 335.451 3.886 20 0 EHADLO CCc1sc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1C ZINC000673725927 1129813217 /nfs/dbraw/zinc/81/32/17/1129813217.db2.gz ZCGHUIMZEXJIOT-UHFFFAOYSA-N 1 2 327.453 3.548 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H]3CCCc4ccccc43)[nH+]c12 ZINC000673725862 1129813325 /nfs/dbraw/zinc/81/33/25/1129813325.db2.gz GHRVDPXBZAAPGB-GOSISDBHSA-N 1 2 347.462 3.812 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](C)Cc3cc4ccccc4o3)cs2)cn1 ZINC000673756534 1129830930 /nfs/dbraw/zinc/83/09/30/1129830930.db2.gz GSATXMWBOQNYSL-UHFFFAOYSA-N 1 2 338.436 3.922 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](C)Cc3cc4ccccc4o3)cs2)cn1 ZINC000673756534 1129830933 /nfs/dbraw/zinc/83/09/33/1129830933.db2.gz GSATXMWBOQNYSL-UHFFFAOYSA-N 1 2 338.436 3.922 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc4cccnc43)[nH+]c12 ZINC000673757729 1129831715 /nfs/dbraw/zinc/83/17/15/1129831715.db2.gz GFZYQUPUHKOSJQ-UHFFFAOYSA-N 1 2 345.406 3.555 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC(C(C)(C)C)CC3)[nH+]c12 ZINC000673781195 1129843256 /nfs/dbraw/zinc/84/32/56/1129843256.db2.gz OCAVABNIGKKEGB-UHFFFAOYSA-N 1 2 342.487 3.653 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381660 1129850877 /nfs/dbraw/zinc/85/08/77/1129850877.db2.gz HRVWJRDZFWFUSS-SCZZXKLOSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381660 1129850881 /nfs/dbraw/zinc/85/08/81/1129850881.db2.gz HRVWJRDZFWFUSS-SCZZXKLOSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381659 1129851376 /nfs/dbraw/zinc/85/13/76/1129851376.db2.gz HRVWJRDZFWFUSS-PSASIEDQSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381659 1129851378 /nfs/dbraw/zinc/85/13/78/1129851378.db2.gz HRVWJRDZFWFUSS-PSASIEDQSA-N 1 2 338.732 3.690 20 0 EHADLO CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1c(F)cccc1F ZINC000347816080 1129867494 /nfs/dbraw/zinc/86/74/94/1129867494.db2.gz OCWJUMNBGOJDSC-UHFFFAOYSA-N 1 2 337.366 3.710 20 0 EHADLO CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1c(F)cccc1F ZINC000347816080 1129867495 /nfs/dbraw/zinc/86/74/95/1129867495.db2.gz OCWJUMNBGOJDSC-UHFFFAOYSA-N 1 2 337.366 3.710 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440739 1129873939 /nfs/dbraw/zinc/87/39/39/1129873939.db2.gz SZKBPUMSDOBLHS-RBUKOAKNSA-N 1 2 342.414 3.523 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440739 1129873942 /nfs/dbraw/zinc/87/39/42/1129873942.db2.gz SZKBPUMSDOBLHS-RBUKOAKNSA-N 1 2 342.414 3.523 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168745778 1129882345 /nfs/dbraw/zinc/88/23/45/1129882345.db2.gz ZYJKJDPFNVFWEA-QGZVFWFLSA-N 1 2 346.833 3.883 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)C1 ZINC000455735936 1129913876 /nfs/dbraw/zinc/91/38/76/1129913876.db2.gz SUHRGPZLFDSHHS-QGZVFWFLSA-N 1 2 338.455 3.710 20 0 EHADLO CC[NH+](CC)Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282501267 1129954971 /nfs/dbraw/zinc/95/49/71/1129954971.db2.gz RXQJESFITBFNTA-CYBMUJFWSA-N 1 2 331.313 3.989 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008468 1129955774 /nfs/dbraw/zinc/95/57/74/1129955774.db2.gz BDLAFCRAFITWLD-OXQOHEQNSA-N 1 2 340.442 3.628 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008468 1129955775 /nfs/dbraw/zinc/95/57/75/1129955775.db2.gz BDLAFCRAFITWLD-OXQOHEQNSA-N 1 2 340.442 3.628 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009643 1129956824 /nfs/dbraw/zinc/95/68/24/1129956824.db2.gz LKNFNBWFLWYBFD-YWZLYKJASA-N 1 2 338.426 3.940 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009643 1129956827 /nfs/dbraw/zinc/95/68/27/1129956827.db2.gz LKNFNBWFLWYBFD-YWZLYKJASA-N 1 2 338.426 3.940 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010214 1129957390 /nfs/dbraw/zinc/95/73/90/1129957390.db2.gz PRSQJAWFHQUNLW-RBUKOAKNSA-N 1 2 342.414 3.998 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010214 1129957394 /nfs/dbraw/zinc/95/73/94/1129957394.db2.gz PRSQJAWFHQUNLW-RBUKOAKNSA-N 1 2 342.414 3.998 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013012 1129959611 /nfs/dbraw/zinc/95/96/11/1129959611.db2.gz JFMLDELKSYDCKN-HNAYVOBHSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013012 1129959613 /nfs/dbraw/zinc/95/96/13/1129959613.db2.gz JFMLDELKSYDCKN-HNAYVOBHSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646900 1129965011 /nfs/dbraw/zinc/96/50/11/1129965011.db2.gz CNXGQWIEPZJZHX-MELADBBJSA-N 1 2 335.398 3.945 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625654909 1129967296 /nfs/dbraw/zinc/96/72/96/1129967296.db2.gz IRGIDELCCVTHHZ-AWEZNQCLSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625654909 1129967300 /nfs/dbraw/zinc/96/73/00/1129967300.db2.gz IRGIDELCCVTHHZ-AWEZNQCLSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000164403490 1129976371 /nfs/dbraw/zinc/97/63/71/1129976371.db2.gz SCYNNXLDDQNJOH-UHFFFAOYSA-N 1 2 336.479 3.942 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)c1ccon1 ZINC000543574933 1129984695 /nfs/dbraw/zinc/98/46/95/1129984695.db2.gz SIBHGSFZWJTOFS-HNNXBMFYSA-N 1 2 327.428 3.691 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccon1 ZINC000543574135 1129987240 /nfs/dbraw/zinc/98/72/40/1129987240.db2.gz NDTWMAATANDUDM-OAHLLOKOSA-N 1 2 333.476 3.819 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(c2ccc(F)cc2)CCC1 ZINC000674133846 1130013871 /nfs/dbraw/zinc/01/38/71/1130013871.db2.gz HWNNTDFDJSYZIV-UHFFFAOYSA-N 1 2 349.409 3.750 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C1CCCC1 ZINC000674238632 1130035156 /nfs/dbraw/zinc/03/51/56/1130035156.db2.gz VCDCVTAUIDXOBD-OAHLLOKOSA-N 1 2 341.455 3.863 20 0 EHADLO Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573857 1130037958 /nfs/dbraw/zinc/03/79/58/1130037958.db2.gz HXOZXAQXKVZQMN-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000429226938 1130076866 /nfs/dbraw/zinc/07/68/66/1130076866.db2.gz CIPTVVOENBZMRN-CYBMUJFWSA-N 1 2 331.460 3.870 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000429226938 1130076872 /nfs/dbraw/zinc/07/68/72/1130076872.db2.gz CIPTVVOENBZMRN-CYBMUJFWSA-N 1 2 331.460 3.870 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000171999377 1130100337 /nfs/dbraw/zinc/10/03/37/1130100337.db2.gz YIIMFJXKDUHZMN-LLVKDONJSA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000171999377 1130100339 /nfs/dbraw/zinc/10/03/39/1130100339.db2.gz YIIMFJXKDUHZMN-LLVKDONJSA-N 1 2 338.300 3.639 20 0 EHADLO COc1ccccc1C[N@H+](Cn1ccc(-c2nccs2)n1)C1CC1 ZINC000766065194 1130182199 /nfs/dbraw/zinc/18/21/99/1130182199.db2.gz BWYIJEKTUYXBET-UHFFFAOYSA-N 1 2 340.452 3.637 20 0 EHADLO COc1ccccc1C[N@@H+](Cn1ccc(-c2nccs2)n1)C1CC1 ZINC000766065194 1130182202 /nfs/dbraw/zinc/18/22/02/1130182202.db2.gz BWYIJEKTUYXBET-UHFFFAOYSA-N 1 2 340.452 3.637 20 0 EHADLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cn1 ZINC000674749920 1130190053 /nfs/dbraw/zinc/19/00/53/1130190053.db2.gz CRKSBOVSXQULKE-GHMZBOCLSA-N 1 2 342.283 3.653 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000674799205 1130196436 /nfs/dbraw/zinc/19/64/36/1130196436.db2.gz CXVZAJZRAMZEHW-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC000674869668 1130212094 /nfs/dbraw/zinc/21/20/94/1130212094.db2.gz YQEVFPMAASMFEY-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC000674869668 1130212097 /nfs/dbraw/zinc/21/20/97/1130212097.db2.gz YQEVFPMAASMFEY-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212526767 1130236895 /nfs/dbraw/zinc/23/68/95/1130236895.db2.gz YYGGKKKVTNBQFR-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000429243458 1130251959 /nfs/dbraw/zinc/25/19/59/1130251959.db2.gz APQMAXIWCOQXID-CYBMUJFWSA-N 1 2 343.377 3.817 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000429243458 1130251960 /nfs/dbraw/zinc/25/19/60/1130251960.db2.gz APQMAXIWCOQXID-CYBMUJFWSA-N 1 2 343.377 3.817 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)c1F ZINC000658228819 1130288427 /nfs/dbraw/zinc/28/84/27/1130288427.db2.gz WWHAJJFIBFZUIN-HNNXBMFYSA-N 1 2 330.403 3.850 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000675249234 1130295785 /nfs/dbraw/zinc/29/57/85/1130295785.db2.gz UCOYERADXSTOEW-ZDUSSCGKSA-N 1 2 328.225 3.515 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000675257596 1130299924 /nfs/dbraw/zinc/29/99/24/1130299924.db2.gz OAQHTAQJOLMGNY-LMSBXDPUSA-N 1 2 341.455 3.642 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000766123986 1130358479 /nfs/dbraw/zinc/35/84/79/1130358479.db2.gz YQLXVIZBLOANPF-HNNXBMFYSA-N 1 2 327.428 3.751 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000766123986 1130358485 /nfs/dbraw/zinc/35/84/85/1130358485.db2.gz YQLXVIZBLOANPF-HNNXBMFYSA-N 1 2 327.428 3.751 20 0 EHADLO CN(c1ccccc1NC(=O)CCCn1cc[nH+]c1)C1CCCC1 ZINC000675572271 1130427012 /nfs/dbraw/zinc/42/70/12/1130427012.db2.gz AWUGOKBYBQHPEQ-UHFFFAOYSA-N 1 2 326.444 3.681 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000675610114 1130435994 /nfs/dbraw/zinc/43/59/94/1130435994.db2.gz DQNNAQABNVRJOX-UONOGXRCSA-N 1 2 338.411 3.942 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000675896422 1130498461 /nfs/dbraw/zinc/49/84/61/1130498461.db2.gz YGFXNGZNDHIPMZ-GXTWGEPZSA-N 1 2 339.443 3.901 20 0 EHADLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000676065643 1130525029 /nfs/dbraw/zinc/52/50/29/1130525029.db2.gz KKQAZBQRADFANV-ZDUSSCGKSA-N 1 2 339.361 3.554 20 0 EHADLO Cc1cccn2cc(CCNc3ncncc3-c3ccccc3)[nH+]c12 ZINC000676306449 1130560216 /nfs/dbraw/zinc/56/02/16/1130560216.db2.gz RKKLHOQAJFRDBB-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727824431 1130600450 /nfs/dbraw/zinc/60/04/50/1130600450.db2.gz PHXDPIYISQQIEJ-ZDUSSCGKSA-N 1 2 349.456 3.722 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727824431 1130600451 /nfs/dbraw/zinc/60/04/51/1130600451.db2.gz PHXDPIYISQQIEJ-ZDUSSCGKSA-N 1 2 349.456 3.722 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619658 1130626319 /nfs/dbraw/zinc/62/63/19/1130626319.db2.gz KGNNVDDVIURUMP-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619658 1130626323 /nfs/dbraw/zinc/62/63/23/1130626323.db2.gz KGNNVDDVIURUMP-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000729986219 1130662370 /nfs/dbraw/zinc/66/23/70/1130662370.db2.gz YEGHJMFGBFIXPV-UHFFFAOYSA-N 1 2 345.830 3.582 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729985321 1130662805 /nfs/dbraw/zinc/66/28/05/1130662805.db2.gz KZEKNTCXWRCATD-INIZCTEOSA-N 1 2 328.485 3.661 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729985321 1130662810 /nfs/dbraw/zinc/66/28/10/1130662810.db2.gz KZEKNTCXWRCATD-INIZCTEOSA-N 1 2 328.485 3.661 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1nc(-c2ccccc2)no1 ZINC000729987591 1130663836 /nfs/dbraw/zinc/66/38/36/1130663836.db2.gz LUMLSDKSMDXFOB-UHFFFAOYSA-N 1 2 342.786 3.631 20 0 EHADLO O=C(/C=C/c1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730506380 1130715333 /nfs/dbraw/zinc/71/53/33/1130715333.db2.gz KAPMHBMPFIQHBI-ZHACJKMWSA-N 1 2 335.451 3.792 20 0 EHADLO CC[C@](C)(NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000730903383 1130747616 /nfs/dbraw/zinc/74/76/16/1130747616.db2.gz XKQIAIXBTRSACX-IBGZPJMESA-N 1 2 326.444 3.508 20 0 EHADLO Fc1c(F)c(F)c(N2CC[NH+]([C@H]3C=CCCC3)CC2)c(F)c1F ZINC000731210258 1130776582 /nfs/dbraw/zinc/77/65/82/1130776582.db2.gz HNCHVZWVJNHEIQ-JTQLQIEISA-N 1 2 332.316 3.613 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3ccc(C)cc3)CC2)cs1 ZINC000731598479 1130820170 /nfs/dbraw/zinc/82/01/70/1130820170.db2.gz LRGIODGAXNUWND-UHFFFAOYSA-N 1 2 330.453 3.578 20 0 EHADLO CSc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000731670285 1130827694 /nfs/dbraw/zinc/82/76/94/1130827694.db2.gz URSBLFAWYODUGW-CQSZACIVSA-N 1 2 336.501 3.850 20 0 EHADLO CSc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000731670285 1130827701 /nfs/dbraw/zinc/82/77/01/1130827701.db2.gz URSBLFAWYODUGW-CQSZACIVSA-N 1 2 336.501 3.850 20 0 EHADLO C/C(=C\C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000732060933 1130881821 /nfs/dbraw/zinc/88/18/21/1130881821.db2.gz CIITVQQXZWNVSE-IDKBZEPQSA-N 1 2 329.419 3.657 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732410480 1130925333 /nfs/dbraw/zinc/92/53/33/1130925333.db2.gz BSHNKJJGOMSLMX-KSZKVXGTSA-N 1 2 344.499 3.626 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732410480 1130925337 /nfs/dbraw/zinc/92/53/37/1130925337.db2.gz BSHNKJJGOMSLMX-KSZKVXGTSA-N 1 2 344.499 3.626 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Cc2ccccc2)n1 ZINC000732551232 1130935837 /nfs/dbraw/zinc/93/58/37/1130935837.db2.gz GCSXYJCEXJVUQS-CQSZACIVSA-N 1 2 331.485 3.802 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000732808572 1130962434 /nfs/dbraw/zinc/96/24/34/1130962434.db2.gz JWDOYVZOAFMOFV-OAHLLOKOSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000732808572 1130962439 /nfs/dbraw/zinc/96/24/39/1130962439.db2.gz JWDOYVZOAFMOFV-OAHLLOKOSA-N 1 2 341.282 3.970 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000732989965 1130979958 /nfs/dbraw/zinc/97/99/58/1130979958.db2.gz YNQJJPUVSPPVJQ-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000732989965 1130979966 /nfs/dbraw/zinc/97/99/66/1130979966.db2.gz YNQJJPUVSPPVJQ-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000733276776 1131017318 /nfs/dbraw/zinc/01/73/18/1131017318.db2.gz WUQBRWFJWFGJKJ-UHFFFAOYSA-N 1 2 334.872 3.865 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000733293587 1131023837 /nfs/dbraw/zinc/02/38/37/1131023837.db2.gz QDFDUKGJCWWWGI-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000733293587 1131023843 /nfs/dbraw/zinc/02/38/43/1131023843.db2.gz QDFDUKGJCWWWGI-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO Fc1cccc2c1C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000347958144 1131104598 /nfs/dbraw/zinc/10/45/98/1131104598.db2.gz YJUIYWAEFBFSOM-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO Fc1cccc2c1C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000347958144 1131104602 /nfs/dbraw/zinc/10/46/02/1131104602.db2.gz YJUIYWAEFBFSOM-UHFFFAOYSA-N 1 2 340.320 3.720 20 0 EHADLO F[C@@H](c1noc(CCn2cc[nH+]c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000282584279 1131107075 /nfs/dbraw/zinc/10/70/75/1131107075.db2.gz ZXMOUCYIEIPYBL-CYBMUJFWSA-N 1 2 340.280 3.587 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccncc1 ZINC000348075109 1131140388 /nfs/dbraw/zinc/14/03/88/1131140388.db2.gz MZXYFXIMQDQTFR-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccncc1 ZINC000348075109 1131140390 /nfs/dbraw/zinc/14/03/90/1131140390.db2.gz MZXYFXIMQDQTFR-UHFFFAOYSA-N 1 2 328.803 3.807 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccn2C(C)C)CC2CC2)c(OC)c1 ZINC000282699707 1131151765 /nfs/dbraw/zinc/15/17/65/1131151765.db2.gz KVFXYWJONYXNPK-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccn2C(C)C)CC2CC2)c(OC)c1 ZINC000282699707 1131151769 /nfs/dbraw/zinc/15/17/69/1131151769.db2.gz KVFXYWJONYXNPK-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000378925759 1131167558 /nfs/dbraw/zinc/16/75/58/1131167558.db2.gz SVHDDDSZDRCTAA-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3cnc4ccccc4c3)cc2)CC1 ZINC000734157581 1131208031 /nfs/dbraw/zinc/20/80/31/1131208031.db2.gz GLYSDINTIJDXBL-UHFFFAOYSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CCSC[C@@H]3c3ccccc3)c2c1 ZINC000738070851 1131459643 /nfs/dbraw/zinc/45/96/43/1131459643.db2.gz YSOKESXGAPYYND-QGZVFWFLSA-N 1 2 340.448 3.651 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CCSC[C@@H]3c3ccccc3)c2c1 ZINC000738070851 1131459646 /nfs/dbraw/zinc/45/96/46/1131459646.db2.gz YSOKESXGAPYYND-QGZVFWFLSA-N 1 2 340.448 3.651 20 0 EHADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(C)cc2C)oc1=S ZINC000738084399 1131459924 /nfs/dbraw/zinc/45/99/24/1131459924.db2.gz ZVJOVEOXBBUNMJ-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(C)cc2C)oc1=S ZINC000738084399 1131459929 /nfs/dbraw/zinc/45/99/29/1131459929.db2.gz ZVJOVEOXBBUNMJ-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO CCCn1c(=S)n(C[N@H+](CC)C2CCC2)nc1-c1ccncc1 ZINC000738056517 1131462037 /nfs/dbraw/zinc/46/20/37/1131462037.db2.gz XCXDFMQJFUVLQO-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](CC)C2CCC2)nc1-c1ccncc1 ZINC000738056517 1131462038 /nfs/dbraw/zinc/46/20/38/1131462038.db2.gz XCXDFMQJFUVLQO-UHFFFAOYSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccco3)n(C)c2=S)CC1 ZINC000738240391 1131465337 /nfs/dbraw/zinc/46/53/37/1131465337.db2.gz OTVOMBNGDXIECU-AWEZNQCLSA-N 1 2 334.489 3.927 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccco3)n(C)c2=S)CC1 ZINC000738240391 1131465341 /nfs/dbraw/zinc/46/53/41/1131465341.db2.gz OTVOMBNGDXIECU-AWEZNQCLSA-N 1 2 334.489 3.927 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC000738305139 1131467574 /nfs/dbraw/zinc/46/75/74/1131467574.db2.gz PTKUAFYHTUPTOS-GOSISDBHSA-N 1 2 330.403 3.636 20 0 EHADLO Cc1ccc(/C=C/S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738392071 1131468307 /nfs/dbraw/zinc/46/83/07/1131468307.db2.gz WXZMNJBQLOASBJ-FMIVXFBMSA-N 1 2 340.404 3.560 20 0 EHADLO O=c1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)c2ccc(O)cc2o1 ZINC000739917621 1131517181 /nfs/dbraw/zinc/51/71/81/1131517181.db2.gz ACGBKMPIAIHARG-UHFFFAOYSA-N 1 2 341.794 3.710 20 0 EHADLO O=c1cc(C[N@H+]2CCc3c(Cl)cccc3C2)c2ccc(O)cc2o1 ZINC000739917621 1131517185 /nfs/dbraw/zinc/51/71/85/1131517185.db2.gz ACGBKMPIAIHARG-UHFFFAOYSA-N 1 2 341.794 3.710 20 0 EHADLO CC(C)[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)c1ccccc1 ZINC000741028736 1131571277 /nfs/dbraw/zinc/57/12/77/1131571277.db2.gz HUJPGTWKDPTFRS-VQIMIIECSA-N 1 2 331.456 3.702 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000741147525 1131583064 /nfs/dbraw/zinc/58/30/64/1131583064.db2.gz VIIRUMKNQNCRJJ-CQSZACIVSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000741147525 1131583069 /nfs/dbraw/zinc/58/30/69/1131583069.db2.gz VIIRUMKNQNCRJJ-CQSZACIVSA-N 1 2 334.441 3.629 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000741777381 1131645337 /nfs/dbraw/zinc/64/53/37/1131645337.db2.gz VTUORZKKKWFKRF-ZDUSSCGKSA-N 1 2 330.403 3.738 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000741777381 1131645341 /nfs/dbraw/zinc/64/53/41/1131645341.db2.gz VTUORZKKKWFKRF-ZDUSSCGKSA-N 1 2 330.403 3.738 20 0 EHADLO CC(C)CNC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741874644 1131662829 /nfs/dbraw/zinc/66/28/29/1131662829.db2.gz JBPUKHBPCIJSSA-AWEZNQCLSA-N 1 2 339.936 3.549 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000742014762 1131679544 /nfs/dbraw/zinc/67/95/44/1131679544.db2.gz SLEYQEPWXYLHGX-CDNLZTBQSA-N 1 2 344.842 3.852 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@@H+]3CCC[C@H]3C3CC3)[nH]2)c1 ZINC000742147926 1131691170 /nfs/dbraw/zinc/69/11/70/1131691170.db2.gz LNDDLRDZURGTFW-AWEZNQCLSA-N 1 2 336.411 3.718 20 0 EHADLO Fc1cc(F)cc(-c2nc(=S)n(C[N@H+]3CCC[C@H]3C3CC3)[nH]2)c1 ZINC000742147926 1131691174 /nfs/dbraw/zinc/69/11/74/1131691174.db2.gz LNDDLRDZURGTFW-AWEZNQCLSA-N 1 2 336.411 3.718 20 0 EHADLO Cc1cc2nn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)n2c2ccccc12 ZINC000742166030 1131692691 /nfs/dbraw/zinc/69/26/91/1131692691.db2.gz KDNREIZBIWDOHU-GASCZTMLSA-N 1 2 338.480 3.872 20 0 EHADLO Cc1cc2nn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)n2c2ccccc12 ZINC000742166030 1131692693 /nfs/dbraw/zinc/69/26/93/1131692693.db2.gz KDNREIZBIWDOHU-GASCZTMLSA-N 1 2 338.480 3.872 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@@H+]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000742154154 1131694173 /nfs/dbraw/zinc/69/41/73/1131694173.db2.gz DOQBQRKXRFIBST-LJQANCHMSA-N 1 2 334.419 3.776 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@H+]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000742154154 1131694176 /nfs/dbraw/zinc/69/41/76/1131694176.db2.gz DOQBQRKXRFIBST-LJQANCHMSA-N 1 2 334.419 3.776 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 ZINC000742236853 1131698721 /nfs/dbraw/zinc/69/87/21/1131698721.db2.gz BHNCQZRLLNQAMA-UHFFFAOYSA-N 1 2 338.442 3.542 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 ZINC000742236853 1131698723 /nfs/dbraw/zinc/69/87/23/1131698723.db2.gz BHNCQZRLLNQAMA-UHFFFAOYSA-N 1 2 338.442 3.542 20 0 EHADLO CCCCC[C@H](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000742489074 1131736127 /nfs/dbraw/zinc/73/61/27/1131736127.db2.gz UWYCULGBUVRBLK-SFHVURJKSA-N 1 2 346.515 3.742 20 0 EHADLO Cc1ccc(OC(C)C)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670234 1131780872 /nfs/dbraw/zinc/78/08/72/1131780872.db2.gz NQFKERIQCRDPQU-UHFFFAOYSA-N 1 2 326.440 3.702 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172579715 1131791406 /nfs/dbraw/zinc/79/14/06/1131791406.db2.gz XXRGWRBRNPGIBX-BMIGLBTASA-N 1 2 333.806 3.871 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cl)c4cnccc34)cc2)C1 ZINC001212671014 1131793607 /nfs/dbraw/zinc/79/36/07/1131793607.db2.gz BSFATXZAWLNXKY-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000742856918 1131807138 /nfs/dbraw/zinc/80/71/38/1131807138.db2.gz AGEBMYXFHXUGQL-SYGIOELKSA-N 1 2 331.419 3.534 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCc1ccccc1 ZINC001172725793 1131825221 /nfs/dbraw/zinc/82/52/21/1131825221.db2.gz DQDISRPMELGCQZ-VQIMIIECSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCc3sccc3[C@H]2C)[C@H]1c1ccccc1 ZINC000743350345 1131897940 /nfs/dbraw/zinc/89/79/40/1131897940.db2.gz YXQLXBAEGYZQRG-PMUMKWKESA-N 1 2 326.465 3.844 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCc3sccc3[C@H]2C)[C@H]1c1ccccc1 ZINC000743350345 1131897946 /nfs/dbraw/zinc/89/79/46/1131897946.db2.gz YXQLXBAEGYZQRG-PMUMKWKESA-N 1 2 326.465 3.844 20 0 EHADLO CCOC(=O)c1ccsc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692471 1131903282 /nfs/dbraw/zinc/90/32/82/1131903282.db2.gz VLKKCXSTMCSYSU-UHFFFAOYSA-N 1 2 327.409 3.913 20 0 EHADLO COc1cccc(-n2ccn(C[NH+]3C[C@@H](C)S[C@H](C)C3)c2=S)c1 ZINC000743377137 1131913513 /nfs/dbraw/zinc/91/35/13/1131913513.db2.gz NCYFKAMSBFKEPG-ZIAGYGMSSA-N 1 2 349.525 3.800 20 0 EHADLO O=c1[nH]c(Br)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694321 1131923144 /nfs/dbraw/zinc/92/31/44/1131923144.db2.gz UTAVYOKZKKAODQ-UHFFFAOYSA-N 1 2 345.200 3.538 20 0 EHADLO Fc1ccc(OC2COC2)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699321 1131933339 /nfs/dbraw/zinc/93/33/39/1131933339.db2.gz ZPZGZTOFJBKBJQ-UHFFFAOYSA-N 1 2 339.370 3.592 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CCC1 ZINC001173077872 1131958993 /nfs/dbraw/zinc/95/89/93/1131958993.db2.gz HLLBDUZFYPLJDZ-LBPRGKRZSA-N 1 2 345.361 3.592 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001173172847 1131991524 /nfs/dbraw/zinc/99/15/24/1131991524.db2.gz GUDOPSBBCYBPAO-LZLYRXPVSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001173172847 1131991528 /nfs/dbraw/zinc/99/15/28/1131991528.db2.gz GUDOPSBBCYBPAO-LZLYRXPVSA-N 1 2 347.503 3.534 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173342684 1132056172 /nfs/dbraw/zinc/05/61/72/1132056172.db2.gz DHDQEIWGAALJKE-MOPGFXCFSA-N 1 2 344.499 3.957 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342226 1132056434 /nfs/dbraw/zinc/05/64/34/1132056434.db2.gz BNUGPIUSYBFBSP-KRWDZBQOSA-N 1 2 346.519 3.912 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342226 1132056440 /nfs/dbraw/zinc/05/64/40/1132056440.db2.gz BNUGPIUSYBFBSP-KRWDZBQOSA-N 1 2 346.519 3.912 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2ccccc2nc1C)c1ccc(F)c(F)c1 ZINC000181428921 1132062453 /nfs/dbraw/zinc/06/24/53/1132062453.db2.gz SSRCNAFYFRWAJE-IBGZPJMESA-N 1 2 343.377 3.694 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3ncncc3Nc3ccccc3)C2)cc1 ZINC001173791620 1132149523 /nfs/dbraw/zinc/14/95/23/1132149523.db2.gz ZQJVEBIFKQELDO-FQEVSTJZSA-N 1 2 346.434 3.794 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3ncncc3Nc3ccccc3)C2)cc1 ZINC001173791620 1132149526 /nfs/dbraw/zinc/14/95/26/1132149526.db2.gz ZQJVEBIFKQELDO-FQEVSTJZSA-N 1 2 346.434 3.794 20 0 EHADLO Ic1ccc2c(Nc3cccnc3)cc[nH+]c2c1 ZINC001173855538 1132155681 /nfs/dbraw/zinc/15/56/81/1132155681.db2.gz MLXMKOPBLSOQEM-UHFFFAOYSA-N 1 2 347.159 3.978 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCCC2)cc(OC)c1OC ZINC001173904258 1132168227 /nfs/dbraw/zinc/16/82/27/1132168227.db2.gz JBOBZERYHCVEJL-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO COc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC001173906023 1132169189 /nfs/dbraw/zinc/16/91/89/1132169189.db2.gz HYHHANMZXKHEOC-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1OC ZINC001173885902 1132180403 /nfs/dbraw/zinc/18/04/03/1132180403.db2.gz UZLDSVUWGPDGJM-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccoc3)ccc2n1C ZINC001173935428 1132189155 /nfs/dbraw/zinc/18/91/55/1132189155.db2.gz RNNRISOZKXHJOO-UHFFFAOYSA-N 1 2 327.384 3.796 20 0 EHADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Br ZINC000745081461 1132194998 /nfs/dbraw/zinc/19/49/98/1132194998.db2.gz ZKEHZBPENWYYQM-FZMZJTMJSA-N 1 2 326.234 3.538 20 0 EHADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1Br ZINC000745081461 1132195004 /nfs/dbraw/zinc/19/50/04/1132195004.db2.gz ZKEHZBPENWYYQM-FZMZJTMJSA-N 1 2 326.234 3.538 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Cl)cc1Br ZINC000745078190 1132195342 /nfs/dbraw/zinc/19/53/42/1132195342.db2.gz BAKTWBFVGFNERV-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Cl)cc1Br ZINC000745078190 1132195344 /nfs/dbraw/zinc/19/53/44/1132195344.db2.gz BAKTWBFVGFNERV-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1F ZINC001174019487 1132216087 /nfs/dbraw/zinc/21/60/87/1132216087.db2.gz IPURDDVFXDZTME-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO CCCCNC(=O)c1ccc(Nc2ccc(N(C)CC)[nH+]c2)cc1 ZINC001174122748 1132242745 /nfs/dbraw/zinc/24/27/45/1132242745.db2.gz UJNFCKQWTVRAGO-UHFFFAOYSA-N 1 2 326.444 3.811 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000745783234 1132315589 /nfs/dbraw/zinc/31/55/89/1132315589.db2.gz LSILOMIJVWHWBB-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO OCc1c(F)cccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001214607759 1132343763 /nfs/dbraw/zinc/34/37/63/1132343763.db2.gz IQXRGTLPTQEMSV-UHFFFAOYSA-N 1 2 347.187 3.794 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3c(Cl)nccc3C(N)=O)ccc21 ZINC001174381822 1132343880 /nfs/dbraw/zinc/34/38/80/1132343880.db2.gz PVRRPSKYXPTABS-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO CNC(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccc1F ZINC001174384565 1132345464 /nfs/dbraw/zinc/34/54/64/1132345464.db2.gz ZOMKNWKAHYNBKI-UHFFFAOYSA-N 1 2 326.375 3.860 20 0 EHADLO COc1ccc(F)c(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001174424437 1132349236 /nfs/dbraw/zinc/34/92/36/1132349236.db2.gz TXNAWRQZLWWMMX-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO CCOc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174434113 1132354040 /nfs/dbraw/zinc/35/40/40/1132354040.db2.gz CHXOMYTWTMSEQG-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO CC(C)(C)OC(=O)N1CC=C(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001174441830 1132358790 /nfs/dbraw/zinc/35/87/90/1132358790.db2.gz PUZHMWIETWMCRV-UHFFFAOYSA-N 1 2 340.427 3.809 20 0 EHADLO COC(=O)c1cc(Br)cc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174411004 1132365921 /nfs/dbraw/zinc/36/59/21/1132365921.db2.gz DFVKACWPSXSAGN-UHFFFAOYSA-N 1 2 346.184 3.807 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000746123829 1132379793 /nfs/dbraw/zinc/37/97/93/1132379793.db2.gz UUBHZORBJOVCDC-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000746123829 1132379802 /nfs/dbraw/zinc/37/98/02/1132379802.db2.gz UUBHZORBJOVCDC-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174554861 1132415576 /nfs/dbraw/zinc/41/55/76/1132415576.db2.gz AMTPWOOFTZOWSL-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Brc1cnsc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC001174630660 1132420604 /nfs/dbraw/zinc/42/06/04/1132420604.db2.gz HJYTYOMJZJHIIW-CYBMUJFWSA-N 1 2 345.306 3.687 20 0 EHADLO C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1cccc(Cl)c1 ZINC000746319784 1132433488 /nfs/dbraw/zinc/43/34/88/1132433488.db2.gz IEGKFYOGIUNSLL-GFCCVEGCSA-N 1 2 344.833 3.631 20 0 EHADLO C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1cccc(Cl)c1 ZINC000746319784 1132433493 /nfs/dbraw/zinc/43/34/93/1132433493.db2.gz IEGKFYOGIUNSLL-GFCCVEGCSA-N 1 2 344.833 3.631 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000746320364 1132436256 /nfs/dbraw/zinc/43/62/56/1132436256.db2.gz CQIPWVNVFBNRGD-UITAMQMPSA-N 1 2 336.426 3.668 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000746320364 1132436261 /nfs/dbraw/zinc/43/62/61/1132436261.db2.gz CQIPWVNVFBNRGD-UITAMQMPSA-N 1 2 336.426 3.668 20 0 EHADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000189045216 1132441172 /nfs/dbraw/zinc/44/11/72/1132441172.db2.gz FQMVCCIZRKKZDM-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000189045216 1132441178 /nfs/dbraw/zinc/44/11/78/1132441178.db2.gz FQMVCCIZRKKZDM-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000188995529 1132441655 /nfs/dbraw/zinc/44/16/55/1132441655.db2.gz YIOAHSWYHJCWIV-GOSISDBHSA-N 1 2 325.412 3.910 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000188995529 1132441659 /nfs/dbraw/zinc/44/16/59/1132441659.db2.gz YIOAHSWYHJCWIV-GOSISDBHSA-N 1 2 325.412 3.910 20 0 EHADLO Cc1ccccc1Oc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000193179067 1132480040 /nfs/dbraw/zinc/48/00/40/1132480040.db2.gz VBOWHAZZVHXZRK-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1ccccc1Oc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000193179067 1132480044 /nfs/dbraw/zinc/48/00/44/1132480044.db2.gz VBOWHAZZVHXZRK-UHFFFAOYSA-N 1 2 335.407 3.759 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(Br)o1 ZINC000048760400 1132487130 /nfs/dbraw/zinc/48/71/30/1132487130.db2.gz YLYLVHUCXGAPFF-UHFFFAOYSA-N 1 2 325.206 3.514 20 0 EHADLO CCCOc1cccc2c(NCC3(OC)CCOCC3)cc[nH+]c12 ZINC000194729401 1132489992 /nfs/dbraw/zinc/48/99/92/1132489992.db2.gz SXPDAWFMYHAXRT-UHFFFAOYSA-N 1 2 330.428 3.631 20 0 EHADLO CN(C)c1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001174877719 1132493858 /nfs/dbraw/zinc/49/38/58/1132493858.db2.gz QCYMEWTVRAFPCL-UHFFFAOYSA-N 1 2 331.217 3.906 20 0 EHADLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Br ZINC001174976144 1132509902 /nfs/dbraw/zinc/50/99/02/1132509902.db2.gz LOSZDXZYTBEDST-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CN(C)c1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001174961694 1132519206 /nfs/dbraw/zinc/51/92/06/1132519206.db2.gz DSYSAABXZALWFA-UHFFFAOYSA-N 1 2 331.217 3.906 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000766376080 1132525822 /nfs/dbraw/zinc/52/58/22/1132525822.db2.gz XBMSYOUYIPAFIL-OWCLPIDISA-N 1 2 330.501 3.959 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000766376080 1132525830 /nfs/dbraw/zinc/52/58/30/1132525830.db2.gz XBMSYOUYIPAFIL-OWCLPIDISA-N 1 2 330.501 3.959 20 0 EHADLO CCOc1ccc(Nc2[nH+]cccc2CCO)cc1C(F)(F)F ZINC001175034761 1132543807 /nfs/dbraw/zinc/54/38/07/1132543807.db2.gz UVSFIHVNDUERNO-UHFFFAOYSA-N 1 2 326.318 3.778 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(F)c2F)c(N(C)C)[nH+]1 ZINC000766472872 1132551521 /nfs/dbraw/zinc/55/15/21/1132551521.db2.gz WSPXKNIQEIABRB-NSHDSACASA-N 1 2 334.370 3.617 20 0 EHADLO CCOc1ccc(F)cc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001175081630 1132562440 /nfs/dbraw/zinc/56/24/40/1132562440.db2.gz KKHGUGUMZYIYRP-UHFFFAOYSA-N 1 2 343.446 3.715 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001175092661 1132565930 /nfs/dbraw/zinc/56/59/30/1132565930.db2.gz NGNIXLYYNNZVOI-KBPBESRZSA-N 1 2 342.443 3.541 20 0 EHADLO CCOc1cccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001175092661 1132565938 /nfs/dbraw/zinc/56/59/38/1132565938.db2.gz NGNIXLYYNNZVOI-KBPBESRZSA-N 1 2 342.443 3.541 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC001175229717 1132601934 /nfs/dbraw/zinc/60/19/34/1132601934.db2.gz TVGJFVIRQMGQSH-GXFFZTMASA-N 1 2 334.204 3.866 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC001175229717 1132601938 /nfs/dbraw/zinc/60/19/38/1132601938.db2.gz TVGJFVIRQMGQSH-GXFFZTMASA-N 1 2 334.204 3.866 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000766549022 1132608045 /nfs/dbraw/zinc/60/80/45/1132608045.db2.gz HMDUHRSQXSRNQF-CYBMUJFWSA-N 1 2 344.484 3.639 20 0 EHADLO CN(C)c1ccc(Nc2ccccc2C(=O)Nc2cccnc2)c[nH+]1 ZINC001175344078 1132627615 /nfs/dbraw/zinc/62/76/15/1132627615.db2.gz SJJBKIBJOMBWJT-UHFFFAOYSA-N 1 2 333.395 3.539 20 0 EHADLO CN(C)c1ccc(Nc2ccc3c(cnn3[C@H]3CCCCO3)c2)c[nH+]1 ZINC001175343023 1132628253 /nfs/dbraw/zinc/62/82/53/1132628253.db2.gz CXQFNZXFQAAHDZ-LJQANCHMSA-N 1 2 337.427 3.940 20 0 EHADLO Fc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Br ZINC001175346558 1132628620 /nfs/dbraw/zinc/62/86/20/1132628620.db2.gz WWJDWUJZDWXPRE-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO Clc1nc(Cl)c(NCCc2cn3ccccc3[nH+]2)c(Cl)n1 ZINC001169004547 1132630636 /nfs/dbraw/zinc/63/06/36/1132630636.db2.gz ODTFUHNVJRGAOE-UHFFFAOYSA-N 1 2 342.617 3.739 20 0 EHADLO Cc1nc2c(ccn2C)c(NCCOc2cccc3ccccc32)[nH+]1 ZINC001169011771 1132631096 /nfs/dbraw/zinc/63/10/96/1132631096.db2.gz YWWXHEPOIFSAIA-UHFFFAOYSA-N 1 2 332.407 3.921 20 0 EHADLO COC(=O)c1sc2nc(C)ccc2c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340517 1132644660 /nfs/dbraw/zinc/64/46/60/1132644660.db2.gz JQITZKHLCHSEJE-UHFFFAOYSA-N 1 2 342.424 3.596 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC001175352033 1132645570 /nfs/dbraw/zinc/64/55/70/1132645570.db2.gz YYBVDKHIBFWNIC-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO Nc1c(F)c(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1F ZINC001175352262 1132645689 /nfs/dbraw/zinc/64/56/89/1132645689.db2.gz TWTCMTQDTIVOSD-UHFFFAOYSA-N 1 2 326.297 3.564 20 0 EHADLO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001169081384 1132658427 /nfs/dbraw/zinc/65/84/27/1132658427.db2.gz XWVIKAYHAINVNE-SFHVURJKSA-N 1 2 326.488 3.875 20 0 EHADLO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001169081384 1132658430 /nfs/dbraw/zinc/65/84/30/1132658430.db2.gz XWVIKAYHAINVNE-SFHVURJKSA-N 1 2 326.488 3.875 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1nc(Cc2ccccc2)no1 ZINC000466750976 1132665155 /nfs/dbraw/zinc/66/51/55/1132665155.db2.gz GFCDBGBWEUWVQD-CQSZACIVSA-N 1 2 332.407 3.993 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(-c3ccccc3)c3ccccc23)C[NH2+]1 ZINC001169132823 1132666931 /nfs/dbraw/zinc/66/69/31/1132666931.db2.gz ZLPAEHRAQMGOJP-IERDGZPVSA-N 1 2 346.430 3.822 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491781 1132682114 /nfs/dbraw/zinc/68/21/14/1132682114.db2.gz LSMJQNOBBVHAIO-TZIWHRDSSA-N 1 2 344.474 3.881 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491781 1132682118 /nfs/dbraw/zinc/68/21/18/1132682118.db2.gz LSMJQNOBBVHAIO-TZIWHRDSSA-N 1 2 344.474 3.881 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)CC2 ZINC001175576357 1132714293 /nfs/dbraw/zinc/71/42/93/1132714293.db2.gz CCVZXRIOJXVPDB-CQSZACIVSA-N 1 2 346.902 3.796 20 0 EHADLO Cc1c(Cl)ccc2c1C[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)CC2 ZINC001175576357 1132714296 /nfs/dbraw/zinc/71/42/96/1132714296.db2.gz CCVZXRIOJXVPDB-CQSZACIVSA-N 1 2 346.902 3.796 20 0 EHADLO Cc1ccc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001175613665 1132726869 /nfs/dbraw/zinc/72/68/69/1132726869.db2.gz GVPWJKHEOAPVLG-UHFFFAOYSA-N 1 2 325.437 3.873 20 0 EHADLO CC(C)c1nc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cn2n1 ZINC001175713008 1132740823 /nfs/dbraw/zinc/74/08/23/1132740823.db2.gz XQEPJSIVMWJPSA-UHFFFAOYSA-N 1 2 336.321 3.592 20 0 EHADLO Cc1[nH]c(=O)c(CNc2[nH+]cccc2OC(C)C)c2c1CCCC2 ZINC001169403900 1132741676 /nfs/dbraw/zinc/74/16/76/1132741676.db2.gz DUUGZLRKQMVBMT-UHFFFAOYSA-N 1 2 327.428 3.769 20 0 EHADLO COC(=O)c1c(C)cccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716084 1132741682 /nfs/dbraw/zinc/74/16/82/1132741682.db2.gz SPOQFXVXDOAWEQ-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO COCCOc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175714284 1132742068 /nfs/dbraw/zinc/74/20/68/1132742068.db2.gz LYDZMAYDBKLLCJ-UHFFFAOYSA-N 1 2 345.296 3.591 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000804322989 1132751095 /nfs/dbraw/zinc/75/10/95/1132751095.db2.gz CGJDTFYEFXMVEF-DOTOQJQBSA-N 1 2 349.434 3.956 20 0 EHADLO CC(=O)c1ccnc(Cl)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175705777 1132753966 /nfs/dbraw/zinc/75/39/66/1132753966.db2.gz GQLVVAHYCOATGW-UHFFFAOYSA-N 1 2 330.697 3.677 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2nc(C(F)(F)F)cs2)c[nH+]1 ZINC001175710113 1132755585 /nfs/dbraw/zinc/75/55/85/1132755585.db2.gz TZMAFQXINQLUBZ-UHFFFAOYSA-N 1 2 328.241 3.902 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000773540116 1132803145 /nfs/dbraw/zinc/80/31/45/1132803145.db2.gz FABJYBYNSYXDSR-UHFFFAOYSA-N 1 2 332.860 3.591 20 0 EHADLO CN(C)c1ccc(NC2=C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c[nH+]1 ZINC001176086433 1132831237 /nfs/dbraw/zinc/83/12/37/1132831237.db2.gz AZZDLDIGROEVDF-CVEARBPZSA-N 1 2 344.459 3.615 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001176067379 1132840758 /nfs/dbraw/zinc/84/07/58/1132840758.db2.gz ULPIDJFXXUMFAS-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(I)cc1F ZINC001176120429 1132852349 /nfs/dbraw/zinc/85/23/49/1132852349.db2.gz AKTQSMRSHIMXQY-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC001176118271 1132852490 /nfs/dbraw/zinc/85/24/90/1132852490.db2.gz HQQJMDMSBJEYAU-UHFFFAOYSA-N 1 2 330.388 3.600 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001176122612 1132853003 /nfs/dbraw/zinc/85/30/03/1132853003.db2.gz DBYYORIUMOVCIU-UHFFFAOYSA-N 1 2 343.427 3.901 20 0 EHADLO Cc1nc2c(ccn2C)c(NCc2ccc(-c3ccccn3)cc2)[nH+]1 ZINC001169887983 1132881483 /nfs/dbraw/zinc/88/14/83/1132881483.db2.gz FRPMSPUUSNVRNZ-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO O=C1CCc2cc(Nc3cc(Br)c4[nH+]ccn4c3)ccc21 ZINC001176232742 1132881521 /nfs/dbraw/zinc/88/15/21/1132881521.db2.gz BGQAXWCJDVLPGZ-UHFFFAOYSA-N 1 2 342.196 3.969 20 0 EHADLO CCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)OCC ZINC001169933564 1132901345 /nfs/dbraw/zinc/90/13/45/1132901345.db2.gz PUYTUHPSUQUBME-XHDPSFHLSA-N 1 2 348.270 3.690 20 0 EHADLO CCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)OCC ZINC001169933564 1132901349 /nfs/dbraw/zinc/90/13/49/1132901349.db2.gz PUYTUHPSUQUBME-XHDPSFHLSA-N 1 2 348.270 3.690 20 0 EHADLO CC(C)Cn1ncc(NC(=O)c2cccc3[nH+]ccn32)c1C(C)C ZINC000767124540 1132953631 /nfs/dbraw/zinc/95/36/31/1132953631.db2.gz HFMVBRCXTHQTEI-UHFFFAOYSA-N 1 2 325.416 3.563 20 0 EHADLO CCN(CC)C(=O)c1cc(-n2c(C)[nH+]c3ccc(N)cc32)ccc1F ZINC001176518844 1132956269 /nfs/dbraw/zinc/95/62/69/1132956269.db2.gz VEBGOZYGZJDBOZ-UHFFFAOYSA-N 1 2 340.402 3.537 20 0 EHADLO O=C(c1ccc(F)c(Nc2cccc3[nH+]ccn32)c1)N1CCCCC1 ZINC001176682740 1132982614 /nfs/dbraw/zinc/98/26/14/1132982614.db2.gz JRGCWEOQJSJAEY-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO Fc1ccc(Br)c(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176750588 1132993078 /nfs/dbraw/zinc/99/30/78/1132993078.db2.gz ZRPHRUZENCSRJP-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO CC(C)(C)NC(=O)c1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751040 1132993231 /nfs/dbraw/zinc/99/32/31/1132993231.db2.gz SXKLCEZQJWJJJY-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO CCOC(=O)c1cnc(Cl)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750014 1132993287 /nfs/dbraw/zinc/99/32/87/1132993287.db2.gz LWIMODUKFUJPIB-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO C[C@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000767432135 1133000923 /nfs/dbraw/zinc/00/09/23/1133000923.db2.gz FEHSMYBRBYBMIS-ONGXEEELSA-N 1 2 345.315 3.662 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2C(C)C)CCO1 ZINC001176820155 1133002776 /nfs/dbraw/zinc/00/27/76/1133002776.db2.gz UXGJFVYGFGNRNM-LJQANCHMSA-N 1 2 333.472 3.697 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2C(C)C)CCO1 ZINC001176820155 1133002778 /nfs/dbraw/zinc/00/27/78/1133002778.db2.gz UXGJFVYGFGNRNM-LJQANCHMSA-N 1 2 333.472 3.697 20 0 EHADLO FC(F)(F)[C@H]1CSCCCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001176871944 1133006030 /nfs/dbraw/zinc/00/60/30/1133006030.db2.gz QPBUKZZPBBJXIG-OAHLLOKOSA-N 1 2 341.402 3.742 20 0 EHADLO CC(C)n1c(=S)n(C[NH+]2CC(C)(C)CC(C)(C)C2)nc1N(C)C ZINC000767517500 1133011799 /nfs/dbraw/zinc/01/17/99/1133011799.db2.gz WJCOQZOERJFKGW-UHFFFAOYSA-N 1 2 339.553 3.777 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967284 1133017421 /nfs/dbraw/zinc/01/74/21/1133017421.db2.gz IPSHYVRHPYWJCU-QGZVFWFLSA-N 1 2 347.418 3.796 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967698 1133017688 /nfs/dbraw/zinc/01/76/88/1133017688.db2.gz UKJUVMHMCJZLRN-OAHLLOKOSA-N 1 2 339.414 3.953 20 0 EHADLO O=C(Nc1cccc2cc(O)ccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967589 1133017768 /nfs/dbraw/zinc/01/77/68/1133017768.db2.gz QGEUKHLYBFBKDN-INIZCTEOSA-N 1 2 347.418 3.796 20 0 EHADLO CCn1c(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)nc2c1cccc2F ZINC001176996006 1133020534 /nfs/dbraw/zinc/02/05/34/1133020534.db2.gz QNBLJVLLZXYKCK-MRXNPFEDSA-N 1 2 333.451 3.832 20 0 EHADLO CCn1c(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)nc2c1cccc2F ZINC001176996006 1133020540 /nfs/dbraw/zinc/02/05/40/1133020540.db2.gz QNBLJVLLZXYKCK-MRXNPFEDSA-N 1 2 333.451 3.832 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001177014473 1133021735 /nfs/dbraw/zinc/02/17/35/1133021735.db2.gz YZDFNOZKDADWNO-FQEVSTJZSA-N 1 2 340.442 3.811 20 0 EHADLO CCOC(C[N@H+](CC)Cc1ccccc1Br)OCC ZINC000767772699 1133051101 /nfs/dbraw/zinc/05/11/01/1133051101.db2.gz GRQRVEFCQDDJOA-UHFFFAOYSA-N 1 2 330.266 3.670 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1ccccc1Br)OCC ZINC000767772699 1133051105 /nfs/dbraw/zinc/05/11/05/1133051105.db2.gz GRQRVEFCQDDJOA-UHFFFAOYSA-N 1 2 330.266 3.670 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 ZINC000767778368 1133052671 /nfs/dbraw/zinc/05/26/71/1133052671.db2.gz LBBVDKDSKVHBHU-KRWDZBQOSA-N 1 2 332.492 3.670 20 0 EHADLO COC(=O)c1cnc(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)s1 ZINC001204206141 1133109443 /nfs/dbraw/zinc/10/94/43/1133109443.db2.gz ZMNYFLHKXBJWFT-UHFFFAOYSA-N 1 2 332.469 3.648 20 0 EHADLO COC(=O)c1cnc(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)s1 ZINC001204206141 1133109447 /nfs/dbraw/zinc/10/94/47/1133109447.db2.gz ZMNYFLHKXBJWFT-UHFFFAOYSA-N 1 2 332.469 3.648 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000768192833 1133111792 /nfs/dbraw/zinc/11/17/92/1133111792.db2.gz UQKWRNNTBLCBSH-MRXNPFEDSA-N 1 2 326.396 3.660 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000768192833 1133111796 /nfs/dbraw/zinc/11/17/96/1133111796.db2.gz UQKWRNNTBLCBSH-MRXNPFEDSA-N 1 2 326.396 3.660 20 0 EHADLO Oc1ccc(C[NH2+]Cc2c(F)cc(Br)cc2F)cc1F ZINC001177913354 1133111850 /nfs/dbraw/zinc/11/18/50/1133111850.db2.gz WXYKXWBBCMQKSU-UHFFFAOYSA-N 1 2 346.146 3.862 20 0 EHADLO COc1cc2c(cc1C[N@H+](C)Cc1ccc(Cl)nc1)O[C@H](C)C2 ZINC000768238215 1133112475 /nfs/dbraw/zinc/11/24/75/1133112475.db2.gz WRTAEPNAGDBKFX-GFCCVEGCSA-N 1 2 332.831 3.699 20 0 EHADLO COc1cc2c(cc1C[N@@H+](C)Cc1ccc(Cl)nc1)O[C@H](C)C2 ZINC000768238215 1133112480 /nfs/dbraw/zinc/11/24/80/1133112480.db2.gz WRTAEPNAGDBKFX-GFCCVEGCSA-N 1 2 332.831 3.699 20 0 EHADLO COCC[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000768241618 1133112490 /nfs/dbraw/zinc/11/24/90/1133112490.db2.gz YLLMOVMFKILLQQ-UHFFFAOYSA-N 1 2 342.270 3.625 20 0 EHADLO COCC[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000768241618 1133112494 /nfs/dbraw/zinc/11/24/94/1133112494.db2.gz YLLMOVMFKILLQQ-UHFFFAOYSA-N 1 2 342.270 3.625 20 0 EHADLO CC(C)Oc1cc(NC(=O)CCc2[nH]cc[nH+]2)cc(C(F)(F)F)c1 ZINC001177996279 1133121954 /nfs/dbraw/zinc/12/19/54/1133121954.db2.gz BETRFIFQTQMQGR-UHFFFAOYSA-N 1 2 341.333 3.787 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001177993677 1133126906 /nfs/dbraw/zinc/12/69/06/1133126906.db2.gz NEANTFDFPKOHJK-UHFFFAOYSA-N 1 2 326.787 3.696 20 0 EHADLO c1cc2nsnc2c(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001178253695 1133145778 /nfs/dbraw/zinc/14/57/78/1133145778.db2.gz CXGMMDOFNAIYEN-UHFFFAOYSA-N 1 2 325.441 3.689 20 0 EHADLO Clc1ccc2nc(CNc3ccc(N4CCCCC4)[nH+]c3)cn2c1 ZINC001178254654 1133146180 /nfs/dbraw/zinc/14/61/80/1133146180.db2.gz UMQCQYAIXGCBIC-UHFFFAOYSA-N 1 2 341.846 3.985 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000768598433 1133161489 /nfs/dbraw/zinc/16/14/89/1133161489.db2.gz YRPOXQWNNSHTIH-CQSZACIVSA-N 1 2 335.879 3.846 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000768598433 1133161493 /nfs/dbraw/zinc/16/14/93/1133161493.db2.gz YRPOXQWNNSHTIH-CQSZACIVSA-N 1 2 335.879 3.846 20 0 EHADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000773767082 1133193925 /nfs/dbraw/zinc/19/39/25/1133193925.db2.gz VMNVBVBODKYKDE-QUCCMNQESA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000773767082 1133193930 /nfs/dbraw/zinc/19/39/30/1133193930.db2.gz VMNVBVBODKYKDE-QUCCMNQESA-N 1 2 345.870 3.973 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc(N=S(C)(C)=O)c3)n2c1 ZINC001178914236 1133211704 /nfs/dbraw/zinc/21/17/04/1133211704.db2.gz SNSJMPLCDYZIHU-UHFFFAOYSA-N 1 2 328.441 3.614 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3ccc(OC(F)F)cc3F)c2c1 ZINC001179390969 1133250000 /nfs/dbraw/zinc/25/00/00/1133250000.db2.gz OEANYFVMYHTYIH-UHFFFAOYSA-N 1 2 340.276 3.997 20 0 EHADLO CCC(=O)N(C)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001179458635 1133253350 /nfs/dbraw/zinc/25/33/50/1133253350.db2.gz XAUDACVWICBXOA-UHFFFAOYSA-N 1 2 334.423 3.857 20 0 EHADLO Fc1ccc(/C=C\C[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC001179579972 1133265851 /nfs/dbraw/zinc/26/58/51/1133265851.db2.gz YTWMFMCEPVSDHU-ARJAWSKDSA-N 1 2 341.361 3.742 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769385096 1133274051 /nfs/dbraw/zinc/27/40/51/1133274051.db2.gz SPEKVSWUCBNEQI-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769385096 1133274055 /nfs/dbraw/zinc/27/40/55/1133274055.db2.gz SPEKVSWUCBNEQI-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1occc1Br)Cc1ccccc1 ZINC000769498030 1133301876 /nfs/dbraw/zinc/30/18/76/1133301876.db2.gz JSHREUICMAENFO-CQSZACIVSA-N 1 2 338.245 3.815 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1occc1Br)Cc1ccccc1 ZINC000769498030 1133301881 /nfs/dbraw/zinc/30/18/81/1133301881.db2.gz JSHREUICMAENFO-CQSZACIVSA-N 1 2 338.245 3.815 20 0 EHADLO CSCc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001180025273 1133318858 /nfs/dbraw/zinc/31/88/58/1133318858.db2.gz YHRPDVDSHJLEKE-UHFFFAOYSA-N 1 2 346.540 3.774 20 0 EHADLO CCNc1ccccc1C[NH+]1CCN(CCc2cccs2)CC1 ZINC001180076884 1133325584 /nfs/dbraw/zinc/32/55/84/1133325584.db2.gz JXIBHPALCPMKEK-UHFFFAOYSA-N 1 2 329.513 3.540 20 0 EHADLO Brc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000769655113 1133325996 /nfs/dbraw/zinc/32/59/96/1133325996.db2.gz XLKKWUTXTLVKQD-UHFFFAOYSA-N 1 2 335.230 3.703 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000769769113 1133339542 /nfs/dbraw/zinc/33/95/42/1133339542.db2.gz GJGYBBMVXIQPFI-QULHZPMSSA-N 1 2 337.467 3.765 20 0 EHADLO CCC[C@H]1CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000769781143 1133344074 /nfs/dbraw/zinc/34/40/74/1133344074.db2.gz FAIPLJOQUKNVLZ-AWEZNQCLSA-N 1 2 336.426 3.750 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccccc2F)n2c1CCCC2 ZINC001180394543 1133365600 /nfs/dbraw/zinc/36/56/00/1133365600.db2.gz XIGIDUSWTYVEIF-AWEZNQCLSA-N 1 2 344.430 3.943 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccccc2F)n2c1CCCC2 ZINC001180394543 1133365604 /nfs/dbraw/zinc/36/56/04/1133365604.db2.gz XIGIDUSWTYVEIF-AWEZNQCLSA-N 1 2 344.430 3.943 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@@H](C)c3ccncc3)cc12 ZINC000769933429 1133368853 /nfs/dbraw/zinc/36/88/53/1133368853.db2.gz ZXMWLUAPMDONFI-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@@H](C)c3ccncc3)cc12 ZINC000769933429 1133368855 /nfs/dbraw/zinc/36/88/55/1133368855.db2.gz ZXMWLUAPMDONFI-LBPRGKRZSA-N 1 2 329.835 3.518 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770000963 1133376570 /nfs/dbraw/zinc/37/65/70/1133376570.db2.gz HWSXNHUBMAPNLO-INIZCTEOSA-N 1 2 329.893 3.690 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770000963 1133376574 /nfs/dbraw/zinc/37/65/74/1133376574.db2.gz HWSXNHUBMAPNLO-INIZCTEOSA-N 1 2 329.893 3.690 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)cc1C ZINC001180547249 1133391507 /nfs/dbraw/zinc/39/15/07/1133391507.db2.gz ZHBAPEIYQKSPPB-UHFFFAOYSA-N 1 2 330.859 3.985 20 0 EHADLO CCC(CC)n1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000770140482 1133392776 /nfs/dbraw/zinc/39/27/76/1133392776.db2.gz ZNCQJXFXRWYCJU-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC001180707204 1133408448 /nfs/dbraw/zinc/40/84/48/1133408448.db2.gz GCUISRKANLWWJX-HNAYVOBHSA-N 1 2 342.870 3.925 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC001180707204 1133408453 /nfs/dbraw/zinc/40/84/53/1133408453.db2.gz GCUISRKANLWWJX-HNAYVOBHSA-N 1 2 342.870 3.925 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)cs1 ZINC000770416954 1133425895 /nfs/dbraw/zinc/42/58/95/1133425895.db2.gz KLYLTEXPTGYUHG-ZDUSSCGKSA-N 1 2 348.431 3.949 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)C(=O)OC ZINC001180962276 1133436611 /nfs/dbraw/zinc/43/66/11/1133436611.db2.gz KVXGSNUIVOJVKC-OKZBNKHCSA-N 1 2 333.472 3.944 20 0 EHADLO C[C@@H]1CN(c2ccc(NC[C@@H]3C[C@H]3c3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC001181348665 1133483130 /nfs/dbraw/zinc/48/31/30/1133483130.db2.gz HWCQWASQAAMEGY-HBXLWWENSA-N 1 2 337.467 3.911 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921948 1133484791 /nfs/dbraw/zinc/48/47/91/1133484791.db2.gz GUDIITJKWMZLPO-UHFFFAOYSA-N 1 2 329.425 3.754 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Br)s1 ZINC000770924024 1133484902 /nfs/dbraw/zinc/48/49/02/1133484902.db2.gz AASQTIROHPJUCC-UHFFFAOYSA-N 1 2 337.198 3.515 20 0 EHADLO Cc1c[nH]c(CCNC(=O)C[C@@H](C)Sc2ccc(Cl)cc2)[nH+]1 ZINC001181772167 1133524844 /nfs/dbraw/zinc/52/48/44/1133524844.db2.gz VVLVKDIIBZQDOF-GFCCVEGCSA-N 1 2 337.876 3.601 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181901976 1133548665 /nfs/dbraw/zinc/54/86/65/1133548665.db2.gz MTXIYPBSJDMDRU-JRMCHAMMSA-N 1 2 338.495 3.814 20 0 EHADLO CCCC[C@H](C)[C@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181958892 1133556494 /nfs/dbraw/zinc/55/64/94/1133556494.db2.gz RMFDQJYBLIPWGM-HOTGVXAUSA-N 1 2 348.491 3.597 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc3c2NCCC3)C[C@@H](C(F)(F)F)O1 ZINC001181970242 1133562436 /nfs/dbraw/zinc/56/24/36/1133562436.db2.gz BMSFHWADYDSURP-AWEZNQCLSA-N 1 2 328.378 3.586 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc3c2NCCC3)C[C@@H](C(F)(F)F)O1 ZINC001181970242 1133562439 /nfs/dbraw/zinc/56/24/39/1133562439.db2.gz BMSFHWADYDSURP-AWEZNQCLSA-N 1 2 328.378 3.586 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N(C)c1ccccc1N)c1ccccc1Cl ZINC001182222815 1133599157 /nfs/dbraw/zinc/59/91/57/1133599157.db2.gz WXPBSTZDSXDACC-GOSISDBHSA-N 1 2 345.874 3.968 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1ncccc1O)c1ccccc1 ZINC001182238101 1133604379 /nfs/dbraw/zinc/60/43/79/1133604379.db2.gz RIDCLTHYYNWGSF-IBGZPJMESA-N 1 2 347.418 3.599 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1ncccc1O)c1ccccc1 ZINC001182238101 1133604382 /nfs/dbraw/zinc/60/43/82/1133604382.db2.gz RIDCLTHYYNWGSF-IBGZPJMESA-N 1 2 347.418 3.599 20 0 EHADLO C[C@H](C[N@H+](C)Cc1c(Cl)ccnc1Cl)C(=O)OC(C)(C)C ZINC001182239072 1133605879 /nfs/dbraw/zinc/60/58/79/1133605879.db2.gz TYCKGFNLQWZKTM-SNVBAGLBSA-N 1 2 333.259 3.798 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1c(Cl)ccnc1Cl)C(=O)OC(C)(C)C ZINC001182239072 1133605882 /nfs/dbraw/zinc/60/58/82/1133605882.db2.gz TYCKGFNLQWZKTM-SNVBAGLBSA-N 1 2 333.259 3.798 20 0 EHADLO CC[C@@H](C(=O)OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000771991722 1133624680 /nfs/dbraw/zinc/62/46/80/1133624680.db2.gz BTHJCLZIQVCUCC-CQSZACIVSA-N 1 2 326.318 3.639 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2(F)CCCC2)c(C)c1 ZINC000772185997 1133650151 /nfs/dbraw/zinc/65/01/51/1133650151.db2.gz MONCOBPUBGXELB-KRWDZBQOSA-N 1 2 329.419 3.640 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Oc1ccc2cncnc2c1)c1ccccc1 ZINC000772527123 1133694595 /nfs/dbraw/zinc/69/45/95/1133694595.db2.gz WBDOIMNEQCZHGR-IBGZPJMESA-N 1 2 335.407 3.618 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C2CC2)cc1 ZINC000772567873 1133701176 /nfs/dbraw/zinc/70/11/76/1133701176.db2.gz OONWWZKJKARFHM-QGZVFWFLSA-N 1 2 326.444 3.997 20 0 EHADLO CC[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1c[nH]c2ccccc12 ZINC000785518458 1133717413 /nfs/dbraw/zinc/71/74/13/1133717413.db2.gz POYWLISPRWVXOP-UHFFFAOYSA-N 1 2 345.450 3.830 20 0 EHADLO CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1c[nH]c2ccccc12 ZINC000785518458 1133717418 /nfs/dbraw/zinc/71/74/18/1133717418.db2.gz POYWLISPRWVXOP-UHFFFAOYSA-N 1 2 345.450 3.830 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC001182880755 1133741811 /nfs/dbraw/zinc/74/18/11/1133741811.db2.gz KBAOTBRVKXIUOT-MRXNPFEDSA-N 1 2 349.368 3.909 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1c(C)nc3scc(C)n13)C2 ZINC001182911112 1133749073 /nfs/dbraw/zinc/74/90/73/1133749073.db2.gz UZZQDDDHWBPFEZ-UHFFFAOYSA-N 1 2 327.453 3.580 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1c(C)nc3scc(C)n13)C2 ZINC001182911112 1133749075 /nfs/dbraw/zinc/74/90/75/1133749075.db2.gz UZZQDDDHWBPFEZ-UHFFFAOYSA-N 1 2 327.453 3.580 20 0 EHADLO Fc1ccc2c(c1)OC[C@H]([NH2+][C@H](CCc1ccccc1)C(F)F)C2 ZINC001182960138 1133751444 /nfs/dbraw/zinc/75/14/44/1133751444.db2.gz OUIGNKQPAYPKKJ-IAGOWNOFSA-N 1 2 335.369 3.985 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN(C(=O)C(CC)CC)CC2)c(C)c1 ZINC001183000634 1133756422 /nfs/dbraw/zinc/75/64/22/1133756422.db2.gz NYGBRCXDCGWTNP-UHFFFAOYSA-N 1 2 346.515 3.864 20 0 EHADLO C[C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000785848941 1133764689 /nfs/dbraw/zinc/76/46/89/1133764689.db2.gz NWWKAWPHICZNIY-GFCCVEGCSA-N 1 2 347.340 3.887 20 0 EHADLO Clc1ccnc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC001183363444 1133794537 /nfs/dbraw/zinc/79/45/37/1133794537.db2.gz KJCPKEWBUJALRZ-CYBMUJFWSA-N 1 2 345.270 3.548 20 0 EHADLO COc1cc(Br)c(CNc2c[nH+]c(C)c(C)c2)cc1O ZINC001183526171 1133814918 /nfs/dbraw/zinc/81/49/18/1133814918.db2.gz LLWASRIUBJHPJB-UHFFFAOYSA-N 1 2 337.217 3.787 20 0 EHADLO COCC1=CC[N@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000774646546 1133824970 /nfs/dbraw/zinc/82/49/70/1133824970.db2.gz VOEHTFMCGLAHRW-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO COCC1=CC[N@@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000774646546 1133824977 /nfs/dbraw/zinc/82/49/77/1133824977.db2.gz VOEHTFMCGLAHRW-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO Nc1cn2ccc(NC/C(=C/F)CCc3ccc(F)cc3)cc2[nH+]1 ZINC001170056129 1133828349 /nfs/dbraw/zinc/82/83/49/1133828349.db2.gz IFUJZXVVIDJLIC-GXDHUFHOSA-N 1 2 328.366 3.954 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc2scnc21 ZINC001183753480 1133854593 /nfs/dbraw/zinc/85/45/93/1133854593.db2.gz SPQDAZOGFWMSPO-MRXNPFEDSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc2scnc21 ZINC001183753480 1133854595 /nfs/dbraw/zinc/85/45/95/1133854595.db2.gz SPQDAZOGFWMSPO-MRXNPFEDSA-N 1 2 337.448 3.818 20 0 EHADLO Fc1cccc2cc(C[N@@H+]3CCS[C@@H](C(F)(F)F)C3)cnc12 ZINC001183831425 1133862495 /nfs/dbraw/zinc/86/24/95/1133862495.db2.gz BQQVZCPWAQHARR-CYBMUJFWSA-N 1 2 330.350 3.854 20 0 EHADLO Fc1cccc2cc(C[N@H+]3CCS[C@@H](C(F)(F)F)C3)cnc12 ZINC001183831425 1133862502 /nfs/dbraw/zinc/86/25/02/1133862502.db2.gz BQQVZCPWAQHARR-CYBMUJFWSA-N 1 2 330.350 3.854 20 0 EHADLO COCC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C)c(C)c1 ZINC001183854633 1133865798 /nfs/dbraw/zinc/86/57/98/1133865798.db2.gz IWOBIZJGVBGNEB-UHFFFAOYSA-N 1 2 341.377 3.694 20 0 EHADLO COCC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C)c(C)c1 ZINC001183854633 1133865807 /nfs/dbraw/zinc/86/58/07/1133865807.db2.gz IWOBIZJGVBGNEB-UHFFFAOYSA-N 1 2 341.377 3.694 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1 ZINC001184022754 1133885831 /nfs/dbraw/zinc/88/58/31/1133885831.db2.gz GYHKNGALDBDTGN-IBGZPJMESA-N 1 2 343.442 3.911 20 0 EHADLO Cc1nc(NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cc[nH+]1 ZINC000786824887 1133905183 /nfs/dbraw/zinc/90/51/83/1133905183.db2.gz ZCXAACIOSODTHI-LJQANCHMSA-N 1 2 347.418 3.724 20 0 EHADLO CCCCC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000786881320 1133923661 /nfs/dbraw/zinc/92/36/61/1133923661.db2.gz DFOCMKVVUVZTKR-ROUUACIJSA-N 1 2 325.456 3.883 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000787088929 1133950106 /nfs/dbraw/zinc/95/01/06/1133950106.db2.gz XPOMXPMQUDRCOX-LLVKDONJSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000787088929 1133950110 /nfs/dbraw/zinc/95/01/10/1133950110.db2.gz XPOMXPMQUDRCOX-LLVKDONJSA-N 1 2 330.881 3.891 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)cc1C ZINC000746659772 1133966585 /nfs/dbraw/zinc/96/65/85/1133966585.db2.gz FIVQAKSOHMKNAR-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)cc1C ZINC000746659772 1133966590 /nfs/dbraw/zinc/96/65/90/1133966590.db2.gz FIVQAKSOHMKNAR-FQEVSTJZSA-N 1 2 337.467 3.534 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184657695 1133973146 /nfs/dbraw/zinc/97/31/46/1133973146.db2.gz JUGOLYMDXCDWEA-UHFFFAOYSA-N 1 2 334.410 3.927 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001184878212 1134001794 /nfs/dbraw/zinc/00/17/94/1134001794.db2.gz PKNIYBQTUZQYHH-HNNXBMFYSA-N 1 2 341.430 3.767 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000787447506 1134005741 /nfs/dbraw/zinc/00/57/41/1134005741.db2.gz SKSFASYGWJQSGE-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO COC(=O)c1cc(C)c(Nc2ccc[nH+]c2N2CCCC2)c(C)c1 ZINC001184969037 1134009657 /nfs/dbraw/zinc/00/96/57/1134009657.db2.gz VQVUXPAOYVYFGE-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO CC(C)(C)c1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000774801615 1134012007 /nfs/dbraw/zinc/01/20/07/1134012007.db2.gz AXNHIJKBIQDJKU-UHFFFAOYSA-N 1 2 335.407 3.922 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000787648735 1134024994 /nfs/dbraw/zinc/02/49/94/1134024994.db2.gz DAFMFTNSHKNVGV-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000787648735 1134025001 /nfs/dbraw/zinc/02/50/01/1134025001.db2.gz DAFMFTNSHKNVGV-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc2c(c1)OCCO2 ZINC000774824752 1134025790 /nfs/dbraw/zinc/02/57/90/1134025790.db2.gz XIQZFBVWACEMKU-QGZVFWFLSA-N 1 2 345.443 3.625 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccccc1-c1ccccc1 ZINC000073745502 1134037342 /nfs/dbraw/zinc/03/73/42/1134037342.db2.gz XIWKFTQVZAWGKA-UHFFFAOYSA-N 1 2 345.446 3.859 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(C2CCC2)ccn1 ZINC001185304684 1134067337 /nfs/dbraw/zinc/06/73/37/1134067337.db2.gz OGEFTCWPVYCWFF-UHFFFAOYSA-N 1 2 346.434 3.807 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(C)cc(Cl)n1)c1ccccc1 ZINC000788100827 1134074881 /nfs/dbraw/zinc/07/48/81/1134074881.db2.gz MIXOBAVXQPNOEP-KRWDZBQOSA-N 1 2 332.831 3.780 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(C)cc(Cl)n1)c1ccccc1 ZINC000788100827 1134074887 /nfs/dbraw/zinc/07/48/87/1134074887.db2.gz MIXOBAVXQPNOEP-KRWDZBQOSA-N 1 2 332.831 3.780 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268649 1134106387 /nfs/dbraw/zinc/10/63/87/1134106387.db2.gz IDYNVILQZNFXTK-GHMZBOCLSA-N 1 2 340.901 3.903 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268649 1134106392 /nfs/dbraw/zinc/10/63/92/1134106392.db2.gz IDYNVILQZNFXTK-GHMZBOCLSA-N 1 2 340.901 3.903 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268650 1134106473 /nfs/dbraw/zinc/10/64/73/1134106473.db2.gz IDYNVILQZNFXTK-MNOVXSKESA-N 1 2 340.901 3.903 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268650 1134106477 /nfs/dbraw/zinc/10/64/77/1134106477.db2.gz IDYNVILQZNFXTK-MNOVXSKESA-N 1 2 340.901 3.903 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788330512 1134109672 /nfs/dbraw/zinc/10/96/72/1134109672.db2.gz BQNUBMAIASERMP-QGZVFWFLSA-N 1 2 327.453 3.549 20 0 EHADLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H]1CCC=CO1 ZINC000774904320 1134113657 /nfs/dbraw/zinc/11/36/57/1134113657.db2.gz HKFPWUGMMMHZEO-INIZCTEOSA-N 1 2 331.416 3.591 20 0 EHADLO CC(C)c1cccc2c1CC[N@H+](Cn1c(=O)sc3c1CCCC3)C2 ZINC000788780602 1134175011 /nfs/dbraw/zinc/17/50/11/1134175011.db2.gz BXFJLFHDEUGLPO-UHFFFAOYSA-N 1 2 342.508 3.928 20 0 EHADLO CC(C)c1cccc2c1CC[N@@H+](Cn1c(=O)sc3c1CCCC3)C2 ZINC000788780602 1134175016 /nfs/dbraw/zinc/17/50/16/1134175016.db2.gz BXFJLFHDEUGLPO-UHFFFAOYSA-N 1 2 342.508 3.928 20 0 EHADLO C[C@@H](NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001186318191 1134194268 /nfs/dbraw/zinc/19/42/68/1134194268.db2.gz UCZVZBAPDSYBRA-OAHLLOKOSA-N 1 2 331.460 3.603 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)OC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074686844 1134221454 /nfs/dbraw/zinc/22/14/54/1134221454.db2.gz CIPCGEAMHAJQIZ-HZPDHXFCSA-N 1 2 341.455 3.787 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)OC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074686847 1134221725 /nfs/dbraw/zinc/22/17/25/1134221725.db2.gz CIPCGEAMHAJQIZ-CVEARBPZSA-N 1 2 341.455 3.787 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000789720793 1134326349 /nfs/dbraw/zinc/32/63/49/1134326349.db2.gz MMSKLIWLHQGDCX-HXUWFJFHSA-N 1 2 334.419 3.876 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000789720793 1134326356 /nfs/dbraw/zinc/32/63/56/1134326356.db2.gz MMSKLIWLHQGDCX-HXUWFJFHSA-N 1 2 334.419 3.876 20 0 EHADLO CCc1ccccc1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001187633001 1134359228 /nfs/dbraw/zinc/35/92/28/1134359228.db2.gz ZHQGSZYHCLSXKZ-KRWDZBQOSA-N 1 2 325.412 3.719 20 0 EHADLO CCC[NH+](CCC)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000790261090 1134392002 /nfs/dbraw/zinc/39/20/02/1134392002.db2.gz NJXPXSRBDCREAZ-UHFFFAOYSA-N 1 2 325.869 3.531 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001188044313 1134413462 /nfs/dbraw/zinc/41/34/62/1134413462.db2.gz JGACYAKOWJWAPJ-MRXNPFEDSA-N 1 2 343.452 3.879 20 0 EHADLO Cc1c(C[N@H+](C)Cn2c(=S)oc3cc(Cl)ccc32)cnn1C ZINC000790427311 1134415461 /nfs/dbraw/zinc/41/54/61/1134415461.db2.gz GVOGENAZYUZNKV-UHFFFAOYSA-N 1 2 336.848 3.749 20 0 EHADLO Cc1c(C[N@@H+](C)Cn2c(=S)oc3cc(Cl)ccc32)cnn1C ZINC000790427311 1134415464 /nfs/dbraw/zinc/41/54/64/1134415464.db2.gz GVOGENAZYUZNKV-UHFFFAOYSA-N 1 2 336.848 3.749 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001188487407 1134468405 /nfs/dbraw/zinc/46/84/05/1134468405.db2.gz DKIKTFTXGZNEJV-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO C[C@@H]1C[N@@H+](CCSc2ncc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC001188555824 1134475582 /nfs/dbraw/zinc/47/55/82/1134475582.db2.gz ALGDOQDHTUPBLG-BETUJISGSA-N 1 2 336.432 3.682 20 0 EHADLO C[C@@H]1C[N@H+](CCSc2ncc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC001188555824 1134475585 /nfs/dbraw/zinc/47/55/85/1134475585.db2.gz ALGDOQDHTUPBLG-BETUJISGSA-N 1 2 336.432 3.682 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(Cl)c(N)c1 ZINC000791268525 1134524226 /nfs/dbraw/zinc/52/42/26/1134524226.db2.gz IIZGJAWXEOQDNZ-UHFFFAOYSA-N 1 2 341.798 3.773 20 0 EHADLO O=C(C=Cc1ccco1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272275 1134525163 /nfs/dbraw/zinc/52/51/63/1134525163.db2.gz LNBFFJWNSWUYBM-SLZMIMFISA-N 1 2 339.439 3.737 20 0 EHADLO O=C(C=Cc1ccco1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272275 1134525169 /nfs/dbraw/zinc/52/51/69/1134525169.db2.gz LNBFFJWNSWUYBM-SLZMIMFISA-N 1 2 339.439 3.737 20 0 EHADLO O=C(C=Cc1ccco1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272272 1134525484 /nfs/dbraw/zinc/52/54/84/1134525484.db2.gz LNBFFJWNSWUYBM-GDXASINISA-N 1 2 339.439 3.737 20 0 EHADLO O=C(C=Cc1ccco1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272272 1134525488 /nfs/dbraw/zinc/52/54/88/1134525488.db2.gz LNBFFJWNSWUYBM-GDXASINISA-N 1 2 339.439 3.737 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2c(c1)CCCCC2 ZINC001626112630 1134529856 /nfs/dbraw/zinc/52/98/56/1134529856.db2.gz GCKRNUXADUZBEK-UHFFFAOYSA-N 1 2 334.423 3.925 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)Cc1ccccc1 ZINC000791449454 1134553582 /nfs/dbraw/zinc/55/35/82/1134553582.db2.gz BAWXBRRYEPAZQW-QGZVFWFLSA-N 1 2 349.521 3.672 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)Cc1ccccc1 ZINC000791449454 1134553585 /nfs/dbraw/zinc/55/35/85/1134553585.db2.gz BAWXBRRYEPAZQW-QGZVFWFLSA-N 1 2 349.521 3.672 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000791567106 1134575349 /nfs/dbraw/zinc/57/53/49/1134575349.db2.gz RZEIJMZVIMNZTR-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000791567106 1134575352 /nfs/dbraw/zinc/57/53/52/1134575352.db2.gz RZEIJMZVIMNZTR-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000791643387 1134583592 /nfs/dbraw/zinc/58/35/92/1134583592.db2.gz SPBHGYQJQYLVHO-GJZGRUSLSA-N 1 2 342.266 3.778 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000791643387 1134583596 /nfs/dbraw/zinc/58/35/96/1134583596.db2.gz SPBHGYQJQYLVHO-GJZGRUSLSA-N 1 2 342.266 3.778 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000791856144 1134612758 /nfs/dbraw/zinc/61/27/58/1134612758.db2.gz JEQSIZRMURMING-CKXPSTMWSA-N 1 2 326.396 3.598 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000791868211 1134625734 /nfs/dbraw/zinc/62/57/34/1134625734.db2.gz BDLQTRHEZBMWBF-STQMWFEESA-N 1 2 337.206 3.818 20 0 EHADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791931685 1134628774 /nfs/dbraw/zinc/62/87/74/1134628774.db2.gz UPCOPRFYQVOZCF-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO CCc1ccc(C(=O)Cn2c[nH+]c(Cc3ccccc3OC)c2)cc1 ZINC001190274593 1134676115 /nfs/dbraw/zinc/67/61/15/1134676115.db2.gz XJLKMFBYYOKDQQ-UHFFFAOYSA-N 1 2 334.419 3.928 20 0 EHADLO Cc1ccccc1-c1cccc(C(=O)NCCOc2cc[nH+]cc2)c1 ZINC001190305833 1134678107 /nfs/dbraw/zinc/67/81/07/1134678107.db2.gz FZDOJNKEGOFIOW-UHFFFAOYSA-N 1 2 332.403 3.866 20 0 EHADLO COc1ccccc1Cc1cn(CCc2noc3ccccc23)c[nH+]1 ZINC001190283413 1134680205 /nfs/dbraw/zinc/68/02/05/1134680205.db2.gz LNGLSPMZGQKPKA-UHFFFAOYSA-N 1 2 333.391 3.866 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000792483087 1134691035 /nfs/dbraw/zinc/69/10/35/1134691035.db2.gz VDUSCQUJOYDWMW-GFCCVEGCSA-N 1 2 345.447 3.505 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000792481356 1134691166 /nfs/dbraw/zinc/69/11/66/1134691166.db2.gz IVLJCPASLBHOTA-BBRMVZONSA-N 1 2 346.479 3.595 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(Br)cc1F)c1nccn1C ZINC000775387215 1134700567 /nfs/dbraw/zinc/70/05/67/1134700567.db2.gz KTRXTWHOHWJZFY-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170257363 1134725115 /nfs/dbraw/zinc/72/51/15/1134725115.db2.gz ZFZPXIDABOSIPP-WFASDCNBSA-N 1 2 329.843 3.931 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1Cl)[C@@H]2C ZINC001170274376 1134729761 /nfs/dbraw/zinc/72/97/61/1134729761.db2.gz QQVKSHXJZQBGAC-UONOGXRCSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)[C@@H]2C ZINC001170274376 1134729765 /nfs/dbraw/zinc/72/97/65/1134729765.db2.gz QQVKSHXJZQBGAC-UONOGXRCSA-N 1 2 333.863 3.691 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191070932 1134787665 /nfs/dbraw/zinc/78/76/65/1134787665.db2.gz QNNCFUVCEYVZPC-DNVCBOLYSA-N 1 2 345.389 3.744 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191070932 1134787668 /nfs/dbraw/zinc/78/76/68/1134787668.db2.gz QNNCFUVCEYVZPC-DNVCBOLYSA-N 1 2 345.389 3.744 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(Br)nc1N ZINC001191040781 1134790422 /nfs/dbraw/zinc/79/04/22/1134790422.db2.gz ZPBVBCJWRRHFSN-HNNXBMFYSA-N 1 2 346.272 3.936 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Br)nc1N ZINC001191040781 1134790428 /nfs/dbraw/zinc/79/04/28/1134790428.db2.gz ZPBVBCJWRRHFSN-HNNXBMFYSA-N 1 2 346.272 3.936 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](OC)c2ccc(F)cc2)o1 ZINC001191122903 1134797852 /nfs/dbraw/zinc/79/78/52/1134797852.db2.gz STZIVSMBGYHMPJ-MJGOQNOKSA-N 1 2 333.403 3.742 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](OC)c2ccc(F)cc2)o1 ZINC001191122903 1134797858 /nfs/dbraw/zinc/79/78/58/1134797858.db2.gz STZIVSMBGYHMPJ-MJGOQNOKSA-N 1 2 333.403 3.742 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792909949 1134820005 /nfs/dbraw/zinc/82/00/05/1134820005.db2.gz UOXYBKQTEPYGCJ-GOEBONIOSA-N 1 2 341.282 3.703 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792909949 1134820010 /nfs/dbraw/zinc/82/00/10/1134820010.db2.gz UOXYBKQTEPYGCJ-GOEBONIOSA-N 1 2 341.282 3.703 20 0 EHADLO O=C(OCc1csc(Cl)n1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000793245320 1134888017 /nfs/dbraw/zinc/88/80/17/1134888017.db2.gz JGZXAJDVCIELRM-CQSZACIVSA-N 1 2 336.844 3.504 20 0 EHADLO O=C(OCc1csc(Cl)n1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000793245320 1134888022 /nfs/dbraw/zinc/88/80/22/1134888022.db2.gz JGZXAJDVCIELRM-CQSZACIVSA-N 1 2 336.844 3.504 20 0 EHADLO C/C(=C/C(=O)OCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000793255544 1134890210 /nfs/dbraw/zinc/89/02/10/1134890210.db2.gz MEZMOEJCKFXPQH-XFXZXTDPSA-N 1 2 338.329 3.628 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1Cl ZINC000793365036 1134910984 /nfs/dbraw/zinc/91/09/84/1134910984.db2.gz WSCPEBAGGDMUEF-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1Cl ZINC000793365036 1134910991 /nfs/dbraw/zinc/91/09/91/1134910991.db2.gz WSCPEBAGGDMUEF-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1nccs1 ZINC000793391154 1134922196 /nfs/dbraw/zinc/92/21/96/1134922196.db2.gz MGAUGWPAUWRHNT-UHFFFAOYSA-N 1 2 325.393 3.562 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793568198 1134958702 /nfs/dbraw/zinc/95/87/02/1134958702.db2.gz AIIDBQJJFUHGRJ-OAHLLOKOSA-N 1 2 340.858 3.963 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793568198 1134958707 /nfs/dbraw/zinc/95/87/07/1134958707.db2.gz AIIDBQJJFUHGRJ-OAHLLOKOSA-N 1 2 340.858 3.963 20 0 EHADLO Cc1cn2cc(NC(=O)Nc3ccc(OC(F)F)cc3)ccc2[nH+]1 ZINC001192149614 1134971074 /nfs/dbraw/zinc/97/10/74/1134971074.db2.gz WSCJFTJZLNNFJI-UHFFFAOYSA-N 1 2 332.310 3.888 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000793794788 1134990116 /nfs/dbraw/zinc/99/01/16/1134990116.db2.gz DCDDRMJDIKYTGU-NSHDSACASA-N 1 2 344.322 3.556 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000793794788 1134990122 /nfs/dbraw/zinc/99/01/22/1134990122.db2.gz DCDDRMJDIKYTGU-NSHDSACASA-N 1 2 344.322 3.556 20 0 EHADLO CC/C=C\CC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291212 1134994756 /nfs/dbraw/zinc/99/47/56/1134994756.db2.gz BRWWNGLAQNDGRQ-YVACAVLKSA-N 1 2 340.261 3.951 20 0 EHADLO CC/C=C\CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291212 1134994761 /nfs/dbraw/zinc/99/47/61/1134994761.db2.gz BRWWNGLAQNDGRQ-YVACAVLKSA-N 1 2 340.261 3.951 20 0 EHADLO COc1cccc(-c2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)cn2)c1 ZINC001192365286 1135007251 /nfs/dbraw/zinc/00/72/51/1135007251.db2.gz BGTRYGSYZLLEQE-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccnc(Cl)c1F ZINC000794208547 1135033208 /nfs/dbraw/zinc/03/32/08/1135033208.db2.gz SPJPLTDKXUXIBM-UHFFFAOYSA-N 1 2 330.750 3.825 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC001192902614 1135070617 /nfs/dbraw/zinc/07/06/17/1135070617.db2.gz YYLLHRHFEGGSBF-KRWDZBQOSA-N 1 2 325.437 3.682 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001193027398 1135091606 /nfs/dbraw/zinc/09/16/06/1135091606.db2.gz HXIQABUCTMHRFF-HCWHUNCVSA-N 1 2 329.488 3.606 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2ccccc2Oc2ccc(C)cc2)[nH+]1 ZINC001193079289 1135096200 /nfs/dbraw/zinc/09/62/00/1135096200.db2.gz FVBNRVSQCXJZQB-UHFFFAOYSA-N 1 2 335.407 3.791 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775591199 1135129751 /nfs/dbraw/zinc/12/97/51/1135129751.db2.gz LNMCFCANDKIEGZ-FQEVSTJZSA-N 1 2 348.450 3.672 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775591199 1135129755 /nfs/dbraw/zinc/12/97/55/1135129755.db2.gz LNMCFCANDKIEGZ-FQEVSTJZSA-N 1 2 348.450 3.672 20 0 EHADLO C[C@H](Oc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1)c1ccccc1 ZINC001129649080 1135130786 /nfs/dbraw/zinc/13/07/86/1135130786.db2.gz POFWDPPQZXHUIA-INIZCTEOSA-N 1 2 349.434 3.533 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC001193565427 1135152842 /nfs/dbraw/zinc/15/28/42/1135152842.db2.gz XXOZHZPWCRIRSC-OAHLLOKOSA-N 1 2 345.361 3.891 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC001193565427 1135152845 /nfs/dbraw/zinc/15/28/45/1135152845.db2.gz XXOZHZPWCRIRSC-OAHLLOKOSA-N 1 2 345.361 3.891 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC001193565416 1135152877 /nfs/dbraw/zinc/15/28/77/1135152877.db2.gz XXOZHZPWCRIRSC-HNNXBMFYSA-N 1 2 345.361 3.891 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC001193565416 1135152880 /nfs/dbraw/zinc/15/28/80/1135152880.db2.gz XXOZHZPWCRIRSC-HNNXBMFYSA-N 1 2 345.361 3.891 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001193977202 1135209234 /nfs/dbraw/zinc/20/92/34/1135209234.db2.gz PVPCXXNGSUKNLA-UHNFBRDESA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001193977202 1135209237 /nfs/dbraw/zinc/20/92/37/1135209237.db2.gz PVPCXXNGSUKNLA-UHNFBRDESA-N 1 2 330.255 3.526 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Oc2ccc(Cl)cc2)CC1 ZINC001194049031 1135221642 /nfs/dbraw/zinc/22/16/42/1135221642.db2.gz UWMFPYQCLJIONQ-UHFFFAOYSA-N 1 2 345.830 3.781 20 0 EHADLO Cc1cc(CNC(=O)Cc2csc(-c3cccs3)n2)cc(C)[nH+]1 ZINC001130042524 1135225886 /nfs/dbraw/zinc/22/58/86/1135225886.db2.gz CBXFNCMFOXXAKO-UHFFFAOYSA-N 1 2 343.477 3.742 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001194562284 1135286185 /nfs/dbraw/zinc/28/61/85/1135286185.db2.gz JMQDJMSHFOQDQE-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001194562284 1135286190 /nfs/dbraw/zinc/28/61/90/1135286190.db2.gz JMQDJMSHFOQDQE-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)Oc1ccc(Br)cc1 ZINC001194571904 1135286925 /nfs/dbraw/zinc/28/69/25/1135286925.db2.gz SJHAEHFWLSDLOA-UHFFFAOYSA-N 1 2 332.157 3.708 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nn2)[C@H](c2ccco2)C1 ZINC000775608695 1135314621 /nfs/dbraw/zinc/31/46/21/1135314621.db2.gz FCFBGWLSADGIAE-APWZRJJASA-N 1 2 336.439 3.893 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@H](c2ccco2)C1 ZINC000775608695 1135314625 /nfs/dbraw/zinc/31/46/25/1135314625.db2.gz FCFBGWLSADGIAE-APWZRJJASA-N 1 2 336.439 3.893 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cncc3ccccc32)c1 ZINC001194927254 1135341923 /nfs/dbraw/zinc/34/19/23/1135341923.db2.gz JYHJUBTXHFNUSC-UHFFFAOYSA-N 1 2 342.402 3.565 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194888058 1135343033 /nfs/dbraw/zinc/34/30/33/1135343033.db2.gz SQQOMHKEHXBIFQ-HNNXBMFYSA-N 1 2 331.419 3.847 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3ccc(C)c(C)c3)CC2)cs1 ZINC000805847615 1135344625 /nfs/dbraw/zinc/34/46/25/1135344625.db2.gz SQXVUPOKJAPREN-UHFFFAOYSA-N 1 2 344.480 3.886 20 0 EHADLO O=C(COC1CCCCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000101665840 1135370362 /nfs/dbraw/zinc/37/03/62/1135370362.db2.gz FUSIVIZBTPXCJN-UHFFFAOYSA-N 1 2 333.819 3.814 20 0 EHADLO O=C(c1sccc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001195206900 1135393385 /nfs/dbraw/zinc/39/33/85/1135393385.db2.gz BTUFJBCXTUQWJB-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO O=C(c1sccc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001195206900 1135393392 /nfs/dbraw/zinc/39/33/92/1135393392.db2.gz BTUFJBCXTUQWJB-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccnc1OC ZINC001195213985 1135394441 /nfs/dbraw/zinc/39/44/41/1135394441.db2.gz NKJUCTAKDYYOLY-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccnc1OC ZINC001195213985 1135394445 /nfs/dbraw/zinc/39/44/45/1135394445.db2.gz NKJUCTAKDYYOLY-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000775646927 1135399058 /nfs/dbraw/zinc/39/90/58/1135399058.db2.gz MJGDXKDDNPTGQI-UHFFFAOYSA-N 1 2 344.842 3.571 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1ccncc1Cl)C2 ZINC001195250259 1135399180 /nfs/dbraw/zinc/39/91/80/1135399180.db2.gz KRFZDNGLLPCANH-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1ccncc1Cl)C2 ZINC001195250259 1135399184 /nfs/dbraw/zinc/39/91/84/1135399184.db2.gz KRFZDNGLLPCANH-UHFFFAOYSA-N 1 2 332.831 3.917 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC001137934977 1135443489 /nfs/dbraw/zinc/44/34/89/1135443489.db2.gz YHWXDGKEMRICMX-CYBMUJFWSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC001137934977 1135443495 /nfs/dbraw/zinc/44/34/95/1135443495.db2.gz YHWXDGKEMRICMX-CYBMUJFWSA-N 1 2 325.305 3.896 20 0 EHADLO Cc1ccc(-c2ccc(C)cc2C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC001195697394 1135456692 /nfs/dbraw/zinc/45/66/92/1135456692.db2.gz LKNHKYHYWXYOIA-UHFFFAOYSA-N 1 2 333.435 3.676 20 0 EHADLO CCc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000806554221 1135457067 /nfs/dbraw/zinc/45/70/67/1135457067.db2.gz NMGAZTGTYVXQNU-MRXNPFEDSA-N 1 2 332.423 3.821 20 0 EHADLO CCc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000806555538 1135457403 /nfs/dbraw/zinc/45/74/03/1135457403.db2.gz UEBIKOOLLMLHLL-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO COCCC1(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCCC1 ZINC000775683257 1135505615 /nfs/dbraw/zinc/50/56/15/1135505615.db2.gz QBJAITVXQFUJEU-UHFFFAOYSA-N 1 2 348.491 3.565 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3[nH]ccc32)n1 ZINC000747367754 1135512288 /nfs/dbraw/zinc/51/22/88/1135512288.db2.gz FMDNUDKXXCUKKX-UHFFFAOYSA-N 1 2 328.441 3.719 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2F)cc1Cl ZINC001196073028 1135513132 /nfs/dbraw/zinc/51/31/32/1135513132.db2.gz AXANUZCRKVOCBV-UHFFFAOYSA-N 1 2 346.833 3.842 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C/C=C/c2ccc(F)cc2)c1C ZINC000747370438 1135519145 /nfs/dbraw/zinc/51/91/45/1135519145.db2.gz HLOWKUZHSTZYSY-SNAWJCMRSA-N 1 2 328.387 3.566 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196212763 1135533068 /nfs/dbraw/zinc/53/30/68/1135533068.db2.gz XTOZDWVVGZIONF-UHFFFAOYSA-N 1 2 342.390 3.969 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564529 1135576620 /nfs/dbraw/zinc/57/66/20/1135576620.db2.gz XJJQROOLYSTESE-GWCFXTLKSA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564529 1135576625 /nfs/dbraw/zinc/57/66/25/1135576625.db2.gz XJJQROOLYSTESE-GWCFXTLKSA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1 ZINC001196735662 1135605163 /nfs/dbraw/zinc/60/51/63/1135605163.db2.gz GBLMFZBIVLJFIV-SFHVURJKSA-N 1 2 331.843 3.647 20 0 EHADLO Cc1cn2cc(NC(=S)NCc3ccccc3Cl)ccc2[nH+]1 ZINC001196801472 1135612359 /nfs/dbraw/zinc/61/23/59/1135612359.db2.gz FGVPIOCUYIRKPZ-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)CN1CC2(CCCC2)CC1=O ZINC000747452185 1135614764 /nfs/dbraw/zinc/61/47/64/1135614764.db2.gz YJDGZWZJLPVUBU-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)CN1CC2(CCCC2)CC1=O ZINC000747452185 1135614767 /nfs/dbraw/zinc/61/47/67/1135614767.db2.gz YJDGZWZJLPVUBU-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000747467272 1135630903 /nfs/dbraw/zinc/63/09/03/1135630903.db2.gz IUCQJJFDZQDLIY-PKOBYXMFSA-N 1 2 347.462 3.616 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000747467272 1135630906 /nfs/dbraw/zinc/63/09/06/1135630906.db2.gz IUCQJJFDZQDLIY-PKOBYXMFSA-N 1 2 347.462 3.616 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808231036 1135633915 /nfs/dbraw/zinc/63/39/15/1135633915.db2.gz WFZYSVBVGXDCSB-HNNXBMFYSA-N 1 2 348.541 3.798 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808231036 1135633918 /nfs/dbraw/zinc/63/39/18/1135633918.db2.gz WFZYSVBVGXDCSB-HNNXBMFYSA-N 1 2 348.541 3.798 20 0 EHADLO CCCCCc1ccc(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001197009202 1135639925 /nfs/dbraw/zinc/63/99/25/1135639925.db2.gz PLNFGXNGOQLBAH-QGZVFWFLSA-N 1 2 347.503 3.604 20 0 EHADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808465667 1135681745 /nfs/dbraw/zinc/68/17/45/1135681745.db2.gz CLVQOTHGWBBWKZ-ZIAGYGMSSA-N 1 2 348.796 3.774 20 0 EHADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808465667 1135681747 /nfs/dbraw/zinc/68/17/47/1135681747.db2.gz CLVQOTHGWBBWKZ-ZIAGYGMSSA-N 1 2 348.796 3.774 20 0 EHADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCOc1cccc2ccccc21 ZINC001197531063 1135698983 /nfs/dbraw/zinc/69/89/83/1135698983.db2.gz BDTSCQWGQKNKRR-LJQANCHMSA-N 1 2 341.451 3.930 20 0 EHADLO CNc1ccc(Cl)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000808610404 1135699134 /nfs/dbraw/zinc/69/91/34/1135699134.db2.gz UXNZOQUYEBAILN-UHFFFAOYSA-N 1 2 341.798 3.924 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001131383165 1135700416 /nfs/dbraw/zinc/70/04/16/1135700416.db2.gz WHSNXCUDOSDEJV-SFHVURJKSA-N 1 2 337.398 3.603 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000808785372 1135737465 /nfs/dbraw/zinc/73/74/65/1135737465.db2.gz DOULUAAZSIVODF-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000808785372 1135737470 /nfs/dbraw/zinc/73/74/70/1135737470.db2.gz DOULUAAZSIVODF-UHFFFAOYSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1ccc(NC(=S)NCc2c[nH+]c3ccc(F)cn23)c(C)c1 ZINC001198022766 1135766910 /nfs/dbraw/zinc/76/69/10/1135766910.db2.gz NCJSPTMZVJGHES-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467929 1135818883 /nfs/dbraw/zinc/81/88/83/1135818883.db2.gz QNDPHFMNNDLQPJ-YSVLISHTSA-N 1 2 339.888 3.629 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467929 1135818890 /nfs/dbraw/zinc/81/88/90/1135818890.db2.gz QNDPHFMNNDLQPJ-YSVLISHTSA-N 1 2 339.888 3.629 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001198498485 1135823391 /nfs/dbraw/zinc/82/33/91/1135823391.db2.gz HTMSTAFTHSKWTC-KBPBESRZSA-N 1 2 329.394 3.905 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001198498485 1135823394 /nfs/dbraw/zinc/82/33/94/1135823394.db2.gz HTMSTAFTHSKWTC-KBPBESRZSA-N 1 2 329.394 3.905 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640868 1135842020 /nfs/dbraw/zinc/84/20/20/1135842020.db2.gz JEPQFPNQCHOTSY-KGLIPLIRSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640868 1135842024 /nfs/dbraw/zinc/84/20/24/1135842024.db2.gz JEPQFPNQCHOTSY-KGLIPLIRSA-N 1 2 332.435 3.753 20 0 EHADLO CSC1(C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000809557944 1135856429 /nfs/dbraw/zinc/85/64/29/1135856429.db2.gz WQHOVZKMIJUZGK-AWEZNQCLSA-N 1 2 342.302 3.718 20 0 EHADLO CSC1(C[N@H+]2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000809557944 1135856433 /nfs/dbraw/zinc/85/64/33/1135856433.db2.gz WQHOVZKMIJUZGK-AWEZNQCLSA-N 1 2 342.302 3.718 20 0 EHADLO C[C@H](O)c1ncc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000809600251 1135860262 /nfs/dbraw/zinc/86/02/62/1135860262.db2.gz RLKUYOOMDKQIDH-JTQLQIEISA-N 1 2 334.832 3.648 20 0 EHADLO Fc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809602958 1135861169 /nfs/dbraw/zinc/86/11/69/1135861169.db2.gz FHYGCMYWJWNOCS-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131967121 1135906270 /nfs/dbraw/zinc/90/62/70/1135906270.db2.gz ZTJYNDXLEHKXLK-QUCCMNQESA-N 1 2 344.499 3.556 20 0 EHADLO Fc1ccc2c(c1)onc2C1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000810046210 1135915373 /nfs/dbraw/zinc/91/53/73/1135915373.db2.gz JKMWHNUDFRISLC-UHFFFAOYSA-N 1 2 346.793 3.790 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cs1 ZINC000810171166 1135930138 /nfs/dbraw/zinc/93/01/38/1135930138.db2.gz VKDRVMPMDLKXNR-UHFFFAOYSA-N 1 2 332.469 3.683 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)NCC3CCCCC3)c[nH+]c12 ZINC001199934794 1135939799 /nfs/dbraw/zinc/93/97/99/1135939799.db2.gz XSNOAVYXLBNKQU-AWEZNQCLSA-N 1 2 330.501 3.748 20 0 EHADLO O=C(OCc1cc(-c2ccccc2)n[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776097280 1135954674 /nfs/dbraw/zinc/95/46/74/1135954674.db2.gz JNAGXISKWHHRHZ-UHFFFAOYSA-N 1 2 344.374 3.619 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3ccc(F)c(C)c3)c[nH+]c12 ZINC001201040763 1135980790 /nfs/dbraw/zinc/98/07/90/1135980790.db2.gz WYQAQROPYDWACS-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000810625545 1135982755 /nfs/dbraw/zinc/98/27/55/1135982755.db2.gz KLVRALQAESWNHD-UHFFFAOYSA-N 1 2 326.421 3.587 20 0 EHADLO Cc1cc(Cl)c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1C ZINC001132405061 1135993971 /nfs/dbraw/zinc/99/39/71/1135993971.db2.gz PUVFMLQLCAYVJP-SFHVURJKSA-N 1 2 328.843 3.873 20 0 EHADLO Cc1cc(Cl)c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1C ZINC001132405061 1135993973 /nfs/dbraw/zinc/99/39/73/1135993973.db2.gz PUVFMLQLCAYVJP-SFHVURJKSA-N 1 2 328.843 3.873 20 0 EHADLO Cc1ccc(I)c(C)c1Nc1ccc(N)[nH+]c1 ZINC001201291699 1136001673 /nfs/dbraw/zinc/00/16/73/1136001673.db2.gz NRRHHNAVMWRWKQ-UHFFFAOYSA-N 1 2 339.180 3.629 20 0 EHADLO CC(C)(C)OC(=O)n1ncc2cccc(Nc3ccc(N)[nH+]c3)c21 ZINC001201295235 1136003554 /nfs/dbraw/zinc/00/35/54/1136003554.db2.gz MYBQSAFKWCYBSU-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+]Cc1c(Cl)ncn1CC ZINC001201594762 1136044479 /nfs/dbraw/zinc/04/44/79/1136044479.db2.gz KXDPPMPMOUZLDV-UHFFFAOYSA-N 1 2 328.243 3.898 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000747675395 1136049915 /nfs/dbraw/zinc/04/99/15/1136049915.db2.gz NMYVQGHGPLEVAF-UHFFFAOYSA-N 1 2 326.440 3.935 20 0 EHADLO Cc1cc(CNc2ccc(-c3nnnn3C(C)C)c(F)c2)cc(C)[nH+]1 ZINC001201644402 1136051184 /nfs/dbraw/zinc/05/11/84/1136051184.db2.gz DSSCPXZGTHWSSJ-UHFFFAOYSA-N 1 2 340.406 3.684 20 0 EHADLO Brc1ccoc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518277 1136097852 /nfs/dbraw/zinc/09/78/52/1136097852.db2.gz ITJBBDRCCFEMLD-OCCSQVGLSA-N 1 2 326.234 3.576 20 0 EHADLO Brc1ccoc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518277 1136097856 /nfs/dbraw/zinc/09/78/56/1136097856.db2.gz ITJBBDRCCFEMLD-OCCSQVGLSA-N 1 2 326.234 3.576 20 0 EHADLO CC(C)Cc1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528046 1136099462 /nfs/dbraw/zinc/09/94/62/1136099462.db2.gz AQFWNTPVMISMOD-HUUCEWRRSA-N 1 2 348.384 3.504 20 0 EHADLO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000811528046 1136099465 /nfs/dbraw/zinc/09/94/65/1136099465.db2.gz AQFWNTPVMISMOD-HUUCEWRRSA-N 1 2 348.384 3.504 20 0 EHADLO O=C(Nc1cccc(Cl)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001202247110 1136119501 /nfs/dbraw/zinc/11/95/01/1136119501.db2.gz GTUJHVHYBQTXCC-UHFFFAOYSA-N 1 2 345.830 3.816 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)CCOc3cccc(Cl)c3)[nH+]c12 ZINC000811676269 1136120869 /nfs/dbraw/zinc/12/08/69/1136120869.db2.gz ACTUBBGRDSFLTK-QHCPKHFHSA-N 1 2 348.855 3.624 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](CC3CC3)C(C)C)c(=O)cc2C)cc1 ZINC000811731164 1136131691 /nfs/dbraw/zinc/13/16/91/1136131691.db2.gz CYXIVIACRPUGPD-UHFFFAOYSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](CC3CC3)C(C)C)c(=O)cc2C)cc1 ZINC000811731164 1136131692 /nfs/dbraw/zinc/13/16/92/1136131692.db2.gz CYXIVIACRPUGPD-UHFFFAOYSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@H]3CCC[C@H](C)C3)c(=O)cc2C)cc1 ZINC000811732351 1136132194 /nfs/dbraw/zinc/13/21/94/1136132194.db2.gz QFPQYJWNHDKASP-LPHOPBHVSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@H]3CCC[C@H](C)C3)c(=O)cc2C)cc1 ZINC000811732351 1136132195 /nfs/dbraw/zinc/13/21/95/1136132195.db2.gz QFPQYJWNHDKASP-LPHOPBHVSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C3CCC(C)CC3)c(=O)cc2C)cc1 ZINC000811733260 1136132473 /nfs/dbraw/zinc/13/24/73/1136132473.db2.gz KZGJUVZACXNYKF-UHFFFAOYSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C3CCC(C)CC3)c(=O)cc2C)cc1 ZINC000811733260 1136132476 /nfs/dbraw/zinc/13/24/76/1136132476.db2.gz KZGJUVZACXNYKF-UHFFFAOYSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@H](C(C)C)C3)c(=O)cc2C)cc1 ZINC000811769133 1136133350 /nfs/dbraw/zinc/13/33/50/1136133350.db2.gz RCCQZJFFNJFGHZ-IBGZPJMESA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@H](C(C)C)C3)c(=O)cc2C)cc1 ZINC000811769133 1136133355 /nfs/dbraw/zinc/13/33/55/1136133355.db2.gz RCCQZJFFNJFGHZ-IBGZPJMESA-N 1 2 339.483 3.853 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1F)Nc1ccc(F)cc1 ZINC001202366810 1136134156 /nfs/dbraw/zinc/13/41/56/1136134156.db2.gz YKFJSRKRPNSOLC-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3C[C@H](C)CCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811750786 1136135626 /nfs/dbraw/zinc/13/56/26/1136135626.db2.gz FEAUMDYMFPQGTD-AEFFLSMTSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3C[C@H](C)CCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811750786 1136135628 /nfs/dbraw/zinc/13/56/28/1136135628.db2.gz FEAUMDYMFPQGTD-AEFFLSMTSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC4(CCC4)C[C@@H]3C)c(=O)cc2C)cc1 ZINC000811766695 1136137262 /nfs/dbraw/zinc/13/72/62/1136137262.db2.gz FFCIVAMCQQIRCY-KRWDZBQOSA-N 1 2 337.467 3.749 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC4(CCC4)C[C@@H]3C)c(=O)cc2C)cc1 ZINC000811766695 1136137264 /nfs/dbraw/zinc/13/72/64/1136137264.db2.gz FFCIVAMCQQIRCY-KRWDZBQOSA-N 1 2 337.467 3.749 20 0 EHADLO Cc1nc(NCc2ccc(C(=O)OCc3ccccc3)cc2)cc[nH+]1 ZINC000811852793 1136147111 /nfs/dbraw/zinc/14/71/11/1136147111.db2.gz GXGVJJYPKKUNOG-UHFFFAOYSA-N 1 2 333.391 3.754 20 0 EHADLO CCOC(=O)/C(=C/c1cc(-n2cc[nH+]c2)cs1)c1ccnc(F)c1 ZINC000812248042 1136189444 /nfs/dbraw/zinc/18/94/44/1136189444.db2.gz ZSJOKOJDLPTDSF-OQLLNIDSSA-N 1 2 343.383 3.572 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC[C@@H]1C[C@H]1c1ccccc1 ZINC000812598930 1136226391 /nfs/dbraw/zinc/22/63/91/1136226391.db2.gz YWUDEDDCVYVZON-FPOVZHCZSA-N 1 2 346.430 3.821 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000747799111 1136230453 /nfs/dbraw/zinc/23/04/53/1136230453.db2.gz ZGTISMXALABBIH-MRXNPFEDSA-N 1 2 348.288 3.866 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3cc(Br)cn3)C2)cc1 ZINC000747799111 1136230457 /nfs/dbraw/zinc/23/04/57/1136230457.db2.gz ZGTISMXALABBIH-MRXNPFEDSA-N 1 2 348.288 3.866 20 0 EHADLO CC(C)[C@H](O)[C@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000850395028 1136248079 /nfs/dbraw/zinc/24/80/79/1136248079.db2.gz MAZPTZOIJLIGBE-CVEARBPZSA-N 1 2 338.245 3.890 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001133454102 1136252639 /nfs/dbraw/zinc/25/26/39/1136252639.db2.gz VSTZEIPVBNDZGJ-IEBWSBKVSA-N 1 2 337.467 3.641 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(CF)(CF)C1 ZINC000850453711 1136261927 /nfs/dbraw/zinc/26/19/27/1136261927.db2.gz CMRSHMDWOOYWFK-INIZCTEOSA-N 1 2 339.426 3.617 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+][C@H](CO)c2cc(F)ccc2F)s1 ZINC001204048064 1136282776 /nfs/dbraw/zinc/28/27/76/1136282776.db2.gz NDCVWZJQOFEDLL-CQSZACIVSA-N 1 2 326.412 3.542 20 0 EHADLO CC(C)COC[C@H](N[C@H](C)c1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000813324650 1136315665 /nfs/dbraw/zinc/31/56/65/1136315665.db2.gz QJOVQKONKFTQBR-WBVHZDCISA-N 1 2 331.460 3.877 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC000813334927 1136319832 /nfs/dbraw/zinc/31/98/32/1136319832.db2.gz FJQVWITXNFCKHO-KRWDZBQOSA-N 1 2 325.387 3.755 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC000813334927 1136319834 /nfs/dbraw/zinc/31/98/34/1136319834.db2.gz FJQVWITXNFCKHO-KRWDZBQOSA-N 1 2 325.387 3.755 20 0 EHADLO CO[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000851013335 1136328439 /nfs/dbraw/zinc/32/84/39/1136328439.db2.gz PMNOVNOJJRJABV-MAUKXSAKSA-N 1 2 340.423 3.607 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc(C(F)F)cc1 ZINC000885585056 1136340329 /nfs/dbraw/zinc/34/03/29/1136340329.db2.gz ZZCZININFPYTIS-NSHDSACASA-N 1 2 333.260 3.953 20 0 EHADLO CC(C)(CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000851400628 1136376482 /nfs/dbraw/zinc/37/64/82/1136376482.db2.gz KHBDOYDWQGRDNO-UHFFFAOYSA-N 1 2 344.377 3.820 20 0 EHADLO Cc1ccc(CCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000851400723 1136377122 /nfs/dbraw/zinc/37/71/22/1136377122.db2.gz NLHMWWGBBYAMGL-UHFFFAOYSA-N 1 2 344.480 3.844 20 0 EHADLO C[C@@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000851399705 1136377136 /nfs/dbraw/zinc/37/71/36/1136377136.db2.gz ZPRVMCMZRILREZ-CQSZACIVSA-N 1 2 330.453 3.706 20 0 EHADLO CCCCCOc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814179475 1136412138 /nfs/dbraw/zinc/41/21/38/1136412138.db2.gz DANCRSZPGXRIQM-INIZCTEOSA-N 1 2 349.471 3.790 20 0 EHADLO CCCCCOc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814179475 1136412140 /nfs/dbraw/zinc/41/21/40/1136412140.db2.gz DANCRSZPGXRIQM-INIZCTEOSA-N 1 2 349.471 3.790 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814250380 1136430715 /nfs/dbraw/zinc/43/07/15/1136430715.db2.gz QQLARQMNTVWSAE-ZIAGYGMSSA-N 1 2 329.400 3.742 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C(=O)OC ZINC000338941863 1136436081 /nfs/dbraw/zinc/43/60/81/1136436081.db2.gz DZTDBLUSTXSIOB-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C(=O)OC ZINC000338941863 1136436084 /nfs/dbraw/zinc/43/60/84/1136436084.db2.gz DZTDBLUSTXSIOB-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO C[N@H+](CC=C(Cl)Cl)C[C@@H](O)c1cccc(Br)c1 ZINC000852171488 1136438210 /nfs/dbraw/zinc/43/82/10/1136438210.db2.gz HBEABIGAEZIJJC-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO C[N@@H+](CC=C(Cl)Cl)C[C@@H](O)c1cccc(Br)c1 ZINC000852171488 1136438211 /nfs/dbraw/zinc/43/82/11/1136438211.db2.gz HBEABIGAEZIJJC-LLVKDONJSA-N 1 2 339.060 3.733 20 0 EHADLO CCc1oc(C[NH2+][C@](C)(CC)c2nc(C)cs2)cc1C(=O)OC ZINC000338943228 1136444322 /nfs/dbraw/zinc/44/43/22/1136444322.db2.gz WDZAFIPNXDPFTB-QGZVFWFLSA-N 1 2 336.457 3.809 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322224 1136448535 /nfs/dbraw/zinc/44/85/35/1136448535.db2.gz DSECJMVRKJDATK-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322224 1136448537 /nfs/dbraw/zinc/44/85/37/1136448537.db2.gz DSECJMVRKJDATK-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO O=S(=O)(c1ccc(C[NH+]2CCC(C3CCC3)CC2)cc1)C(F)F ZINC000852407964 1136454269 /nfs/dbraw/zinc/45/42/69/1136454269.db2.gz KZCVGEXBYUNGCD-UHFFFAOYSA-N 1 2 343.439 3.695 20 0 EHADLO CN(C)c1cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)ccn1 ZINC000852551055 1136465862 /nfs/dbraw/zinc/46/58/62/1136465862.db2.gz OKZLYLBFNSMMAF-SFHVURJKSA-N 1 2 343.446 3.639 20 0 EHADLO CN(C)c1cc(C[N@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)ccn1 ZINC000852551055 1136465864 /nfs/dbraw/zinc/46/58/64/1136465864.db2.gz OKZLYLBFNSMMAF-SFHVURJKSA-N 1 2 343.446 3.639 20 0 EHADLO C[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@]1=O ZINC000338950509 1136474133 /nfs/dbraw/zinc/47/41/33/1136474133.db2.gz YEXHRQXXOHEMAI-JBEBIEQOSA-N 1 2 349.446 3.550 20 0 EHADLO C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@]1=O ZINC000338950509 1136474135 /nfs/dbraw/zinc/47/41/35/1136474135.db2.gz YEXHRQXXOHEMAI-JBEBIEQOSA-N 1 2 349.446 3.550 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000852673298 1136475722 /nfs/dbraw/zinc/47/57/22/1136475722.db2.gz PFUGXKUQVGJBNU-UHFFFAOYSA-N 1 2 341.455 3.790 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](CC)c2ccccc2OC)n1 ZINC000814630354 1136482185 /nfs/dbraw/zinc/48/21/85/1136482185.db2.gz UUCMNVWQNQMZIG-CYBMUJFWSA-N 1 2 334.441 3.569 20 0 EHADLO COC(=O)NC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000852769997 1136484402 /nfs/dbraw/zinc/48/44/02/1136484402.db2.gz AEGPVNIYTXZGRC-UHFFFAOYSA-N 1 2 337.489 3.511 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(N(C)C)[nH+]1 ZINC000814678179 1136489799 /nfs/dbraw/zinc/48/97/99/1136489799.db2.gz QYASZIHBRMGOFS-KOMQPUFPSA-N 1 2 342.418 3.663 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(C(C)(F)F)cc2)c(N(C)C)[nH+]1 ZINC000814679051 1136490121 /nfs/dbraw/zinc/49/01/21/1136490121.db2.gz ZRVHUXKAUJDYFA-UHFFFAOYSA-N 1 2 348.397 3.889 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3noc4c3CCCC4)[C@H](C)C2)cc1C ZINC000747968131 1136491279 /nfs/dbraw/zinc/49/12/79/1136491279.db2.gz KGWFOCFCPGSAEV-QGZVFWFLSA-N 1 2 339.483 3.881 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3noc4c3CCCC4)[C@H](C)C2)cc1C ZINC000747968131 1136491280 /nfs/dbraw/zinc/49/12/80/1136491280.db2.gz KGWFOCFCPGSAEV-QGZVFWFLSA-N 1 2 339.483 3.881 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(F)cc(Cl)c1 ZINC000338953424 1136491420 /nfs/dbraw/zinc/49/14/20/1136491420.db2.gz TXSIWDVVHRBXFD-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(F)cc(Cl)c1 ZINC000338953424 1136491423 /nfs/dbraw/zinc/49/14/23/1136491423.db2.gz TXSIWDVVHRBXFD-UHFFFAOYSA-N 1 2 340.851 3.679 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)n1 ZINC000747971941 1136500008 /nfs/dbraw/zinc/50/00/08/1136500008.db2.gz XJYFLZOCYMSUIY-HZPDHXFCSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)n1 ZINC000747971941 1136500010 /nfs/dbraw/zinc/50/00/10/1136500010.db2.gz XJYFLZOCYMSUIY-HZPDHXFCSA-N 1 2 328.460 3.521 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000111165691 1136517603 /nfs/dbraw/zinc/51/76/03/1136517603.db2.gz RTRFSEFBXVAIMR-ZDUSSCGKSA-N 1 2 331.489 3.746 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000111165691 1136517607 /nfs/dbraw/zinc/51/76/07/1136517607.db2.gz RTRFSEFBXVAIMR-ZDUSSCGKSA-N 1 2 331.489 3.746 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000111165610 1136517624 /nfs/dbraw/zinc/51/76/24/1136517624.db2.gz DSXYYQYOQVWEMQ-CQSZACIVSA-N 1 2 333.505 3.821 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000111165610 1136517626 /nfs/dbraw/zinc/51/76/26/1136517626.db2.gz DSXYYQYOQVWEMQ-CQSZACIVSA-N 1 2 333.505 3.821 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2CC[C@@H](C3CCCCC3)C2=O)on1 ZINC000853491371 1136537547 /nfs/dbraw/zinc/53/75/47/1136537547.db2.gz QMRNCVXQCZFPKI-IRXDYDNUSA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CN2CC[C@@H](C3CCCCC3)C2=O)on1 ZINC000853491371 1136537550 /nfs/dbraw/zinc/53/75/50/1136537550.db2.gz QMRNCVXQCZFPKI-IRXDYDNUSA-N 1 2 331.460 3.506 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)[C@H]1C1CC1 ZINC000853539022 1136542706 /nfs/dbraw/zinc/54/27/06/1136542706.db2.gz ZVUJNFWPDKQCCE-IRXDYDNUSA-N 1 2 328.456 3.801 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)[C@H]1C1CC1 ZINC000853539022 1136542707 /nfs/dbraw/zinc/54/27/07/1136542707.db2.gz ZVUJNFWPDKQCCE-IRXDYDNUSA-N 1 2 328.456 3.801 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000853563279 1136544919 /nfs/dbraw/zinc/54/49/19/1136544919.db2.gz QHODYMLRXXVHBD-UHFFFAOYSA-N 1 2 343.446 3.909 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000853563279 1136544923 /nfs/dbraw/zinc/54/49/23/1136544923.db2.gz QHODYMLRXXVHBD-UHFFFAOYSA-N 1 2 343.446 3.909 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000815071657 1136546672 /nfs/dbraw/zinc/54/66/72/1136546672.db2.gz PKWDRCVSFVENIG-UHFFFAOYSA-N 1 2 346.544 3.512 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)C[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000853611290 1136549550 /nfs/dbraw/zinc/54/95/50/1136549550.db2.gz XOMJZWXJXSKNKA-MRXNPFEDSA-N 1 2 342.512 3.931 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)C[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000853611290 1136549553 /nfs/dbraw/zinc/54/95/53/1136549553.db2.gz XOMJZWXJXSKNKA-MRXNPFEDSA-N 1 2 342.512 3.931 20 0 EHADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000853627261 1136550267 /nfs/dbraw/zinc/55/02/67/1136550267.db2.gz SEPWCQIOLIEZGL-AWEZNQCLSA-N 1 2 343.500 3.746 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000853627261 1136550269 /nfs/dbraw/zinc/55/02/69/1136550269.db2.gz SEPWCQIOLIEZGL-AWEZNQCLSA-N 1 2 343.500 3.746 20 0 EHADLO Cn1ncc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c1Cl ZINC000815134671 1136560534 /nfs/dbraw/zinc/56/05/34/1136560534.db2.gz GJZMPSNELFUBNF-OAHLLOKOSA-N 1 2 333.867 3.552 20 0 EHADLO COc1ccccc1[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853875026 1136571749 /nfs/dbraw/zinc/57/17/49/1136571749.db2.gz UCFLNRWDJFFBGT-DZGCQCFKSA-N 1 2 337.427 3.558 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000853997919 1136579018 /nfs/dbraw/zinc/57/90/18/1136579018.db2.gz PTMGHQRDFUXTTH-INIZCTEOSA-N 1 2 348.454 3.708 20 0 EHADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776750034 1136631062 /nfs/dbraw/zinc/63/10/62/1136631062.db2.gz LGXGEBUTMNNBNC-GFCCVEGCSA-N 1 2 336.420 3.777 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000338964414 1136646727 /nfs/dbraw/zinc/64/67/27/1136646727.db2.gz KQKUVAKEUDUYSE-LBPRGKRZSA-N 1 2 334.407 3.844 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000338964414 1136646730 /nfs/dbraw/zinc/64/67/30/1136646730.db2.gz KQKUVAKEUDUYSE-LBPRGKRZSA-N 1 2 334.407 3.844 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000776801863 1136682335 /nfs/dbraw/zinc/68/23/35/1136682335.db2.gz CEMICYKRUAIGDF-UHFFFAOYSA-N 1 2 325.799 3.793 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000816636716 1136743111 /nfs/dbraw/zinc/74/31/11/1136743111.db2.gz FUACNIFNRWJHMT-OAHLLOKOSA-N 1 2 333.863 3.672 20 0 EHADLO COC[C@H]1CC[N@H+]1Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000816636716 1136743113 /nfs/dbraw/zinc/74/31/13/1136743113.db2.gz FUACNIFNRWJHMT-OAHLLOKOSA-N 1 2 333.863 3.672 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)cc(Br)c1OC ZINC000816646865 1136744897 /nfs/dbraw/zinc/74/48/97/1136744897.db2.gz JVICWZCDGWELJX-WDEREUQCSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)[C@H]2C)cc(Br)c1OC ZINC000816646865 1136744901 /nfs/dbraw/zinc/74/49/01/1136744901.db2.gz JVICWZCDGWELJX-WDEREUQCSA-N 1 2 328.250 3.697 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)c2=S)n1 ZINC000114445270 1136797893 /nfs/dbraw/zinc/79/78/93/1136797893.db2.gz DZMZFQBKKQGHJW-SFHVURJKSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)c2=S)n1 ZINC000114445270 1136797896 /nfs/dbraw/zinc/79/78/96/1136797896.db2.gz DZMZFQBKKQGHJW-SFHVURJKSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000114445250 1136798328 /nfs/dbraw/zinc/79/83/28/1136798328.db2.gz DBTHMZGYWNVILL-SFHVURJKSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000114445250 1136798332 /nfs/dbraw/zinc/79/83/32/1136798332.db2.gz DBTHMZGYWNVILL-SFHVURJKSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000114445253 1136798423 /nfs/dbraw/zinc/79/84/23/1136798423.db2.gz DBTHMZGYWNVILL-GOSISDBHSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000114445253 1136798426 /nfs/dbraw/zinc/79/84/26/1136798426.db2.gz DBTHMZGYWNVILL-GOSISDBHSA-N 1 2 343.500 3.657 20 0 EHADLO CCC1(CC)CCN(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)C1=O ZINC000817359690 1136803006 /nfs/dbraw/zinc/80/30/06/1136803006.db2.gz BMCJYNCBLOUQCF-OAHLLOKOSA-N 1 2 335.517 3.757 20 0 EHADLO CCC1(CC)CCN(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)C1=O ZINC000817359690 1136803010 /nfs/dbraw/zinc/80/30/10/1136803010.db2.gz BMCJYNCBLOUQCF-OAHLLOKOSA-N 1 2 335.517 3.757 20 0 EHADLO C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000817460599 1136808771 /nfs/dbraw/zinc/80/87/71/1136808771.db2.gz DONGQBZACGPWSW-FQEVSTJZSA-N 1 2 337.398 3.711 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c(Cl)n1 ZINC000856788667 1136811325 /nfs/dbraw/zinc/81/13/25/1136811325.db2.gz QQYQYFYFANABPG-UHFFFAOYSA-N 1 2 336.867 3.573 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(COC)cs1)c1ccccc1 ZINC000857044002 1136836647 /nfs/dbraw/zinc/83/66/47/1136836647.db2.gz JVHDRKKCJXTGSP-KRWDZBQOSA-N 1 2 333.453 3.631 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(COC)cs1)c1ccccc1 ZINC000857044002 1136836649 /nfs/dbraw/zinc/83/66/49/1136836649.db2.gz JVHDRKKCJXTGSP-KRWDZBQOSA-N 1 2 333.453 3.631 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)nc1 ZINC000339003965 1136863146 /nfs/dbraw/zinc/86/31/46/1136863146.db2.gz PEHVCRBXASZVRF-FQEVSTJZSA-N 1 2 338.430 3.738 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)nc1 ZINC000339003965 1136863150 /nfs/dbraw/zinc/86/31/50/1136863150.db2.gz PEHVCRBXASZVRF-FQEVSTJZSA-N 1 2 338.430 3.738 20 0 EHADLO CCCCCC[C@H](O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001136135186 1136870566 /nfs/dbraw/zinc/87/05/66/1136870566.db2.gz VFIKZCACEFSVSY-SFHVURJKSA-N 1 2 329.444 3.922 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1F ZINC001137656554 1136885167 /nfs/dbraw/zinc/88/51/67/1136885167.db2.gz LDXMGLPTXDCCDE-OLZOCXBDSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1F ZINC001137656554 1136885171 /nfs/dbraw/zinc/88/51/71/1136885171.db2.gz LDXMGLPTXDCCDE-OLZOCXBDSA-N 1 2 343.723 3.706 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776970619 1136907619 /nfs/dbraw/zinc/90/76/19/1136907619.db2.gz OIBHFYZLIKGKHQ-FXAWDEMLSA-N 1 2 349.434 3.540 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)c2)[nH+]c1C ZINC000857852052 1136913879 /nfs/dbraw/zinc/91/38/79/1136913879.db2.gz KNJNEAMKMSXSPI-DIFFPNOSSA-N 1 2 349.438 3.721 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn4c(n3)CC[C@H](C)C4)c2)[nH+]c1C ZINC000857919074 1136922846 /nfs/dbraw/zinc/92/28/46/1136922846.db2.gz HWMXKGLOYAWHCD-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857980793 1136926901 /nfs/dbraw/zinc/92/69/01/1136926901.db2.gz PWSDBODYSSDDPP-GOSISDBHSA-N 1 2 325.456 3.666 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857983459 1136927221 /nfs/dbraw/zinc/92/72/21/1136927221.db2.gz ACJOZBLURODABN-RISCZKNCSA-N 1 2 337.345 3.657 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1C1CCCCC1 ZINC000857983535 1136927228 /nfs/dbraw/zinc/92/72/28/1136927228.db2.gz BIBSDKGBEICRDE-KRWDZBQOSA-N 1 2 326.444 3.681 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857986465 1136927455 /nfs/dbraw/zinc/92/74/55/1136927455.db2.gz VQQIZIFPMKDVGP-QGZVFWFLSA-N 1 2 325.456 3.765 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000857985359 1136927509 /nfs/dbraw/zinc/92/75/09/1136927509.db2.gz JBOZIDIQLFJHDL-INIZCTEOSA-N 1 2 343.858 4.000 20 0 EHADLO CC[C@H](CC(=O)N1CCNc2[nH+]cc(C)cc21)c1ccc(OC)cc1 ZINC000857999457 1136928262 /nfs/dbraw/zinc/92/82/62/1136928262.db2.gz DQIYVJGPIYLLSM-OAHLLOKOSA-N 1 2 339.439 3.741 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046218 1136935018 /nfs/dbraw/zinc/93/50/18/1136935018.db2.gz JOEKRPJPBHYSMH-INIZCTEOSA-N 1 2 327.428 3.724 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046218 1136935021 /nfs/dbraw/zinc/93/50/21/1136935021.db2.gz JOEKRPJPBHYSMH-INIZCTEOSA-N 1 2 327.428 3.724 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000777005796 1136943109 /nfs/dbraw/zinc/94/31/09/1136943109.db2.gz QXRWPXCEJODSFO-LLVKDONJSA-N 1 2 349.312 3.724 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC001136246917 1136955053 /nfs/dbraw/zinc/95/50/53/1136955053.db2.gz FIZHUWZYRLCXCI-MRXNPFEDSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC001136246917 1136955055 /nfs/dbraw/zinc/95/50/55/1136955055.db2.gz FIZHUWZYRLCXCI-MRXNPFEDSA-N 1 2 329.831 3.647 20 0 EHADLO CN(C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000858395952 1136964441 /nfs/dbraw/zinc/96/44/41/1136964441.db2.gz UHTXGYCWCSDBAP-HNNXBMFYSA-N 1 2 341.455 3.928 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000777037755 1136978558 /nfs/dbraw/zinc/97/85/58/1136978558.db2.gz MJQQFAMTKNAHJX-MRXNPFEDSA-N 1 2 341.361 3.980 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728083 1136989273 /nfs/dbraw/zinc/98/92/73/1136989273.db2.gz UYNZYGXBPWVFTG-SJLPKXTDSA-N 1 2 327.472 3.601 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001136351637 1136997443 /nfs/dbraw/zinc/99/74/43/1136997443.db2.gz UYXKWIQBDXZRRH-KQTLUZQSSA-N 1 2 333.501 3.750 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccnc(F)c2)c(SC)cc1OC ZINC000859147349 1137005024 /nfs/dbraw/zinc/00/50/24/1137005024.db2.gz HLGRXDFBADJDDE-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccnc(F)c2)c(SC)cc1OC ZINC000859147349 1137005025 /nfs/dbraw/zinc/00/50/25/1137005025.db2.gz HLGRXDFBADJDDE-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201985 1137007386 /nfs/dbraw/zinc/00/73/86/1137007386.db2.gz QEPBFFVRQIHKRW-DLBZAZTESA-N 1 2 345.418 3.564 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201985 1137007388 /nfs/dbraw/zinc/00/73/88/1137007388.db2.gz QEPBFFVRQIHKRW-DLBZAZTESA-N 1 2 345.418 3.564 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccncc1Br ZINC000859210006 1137007985 /nfs/dbraw/zinc/00/79/85/1137007985.db2.gz CPRUDBCBRAATRU-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccncc1Br ZINC000859210006 1137007986 /nfs/dbraw/zinc/00/79/86/1137007986.db2.gz CPRUDBCBRAATRU-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO CC(C)c1cccnc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821246929 1137021210 /nfs/dbraw/zinc/02/12/10/1137021210.db2.gz LANGTAMJGMXVGQ-GFCCVEGCSA-N 1 2 326.322 3.534 20 0 EHADLO C[C@@H](c1ccc2ccccc2c1)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001136428215 1137021319 /nfs/dbraw/zinc/02/13/19/1137021319.db2.gz PQXWZNDMGNHZLF-HNNXBMFYSA-N 1 2 333.435 3.868 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H]3CCC34CCC4)CC2)cs1 ZINC000821804141 1137039121 /nfs/dbraw/zinc/03/91/21/1137039121.db2.gz IDOPBZGDPOKTSE-MRXNPFEDSA-N 1 2 334.485 3.539 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CCCC(=O)C3CC3)c2)[nH+]c1C ZINC000822730388 1137071907 /nfs/dbraw/zinc/07/19/07/1137071907.db2.gz KSMWBRPVYUSVGN-UHFFFAOYSA-N 1 2 325.412 3.781 20 0 EHADLO CCc1nocc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000860747249 1137076334 /nfs/dbraw/zinc/07/63/34/1137076334.db2.gz CVRISWSYSNQXFR-UHFFFAOYSA-N 1 2 337.379 3.656 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001136637988 1137077692 /nfs/dbraw/zinc/07/76/92/1137077692.db2.gz JTOAILPKKVYMHG-RBSFLKMASA-N 1 2 343.393 3.805 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000823311712 1137093532 /nfs/dbraw/zinc/09/35/32/1137093532.db2.gz PBHHYBRSNRQLJF-IPMKNSEASA-N 1 2 339.483 3.835 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823316721 1137093779 /nfs/dbraw/zinc/09/37/79/1137093779.db2.gz AFOWUCSSCPRFIU-KSZLIROESA-N 1 2 325.456 3.526 20 0 EHADLO Cc1ccc(N(Cc2cccs2)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001136698956 1137094251 /nfs/dbraw/zinc/09/42/51/1137094251.db2.gz DIYDHVFIFMRROI-UHFFFAOYSA-N 1 2 325.437 3.566 20 0 EHADLO C/C(=C/c1ccc(F)cc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394274 1137097895 /nfs/dbraw/zinc/09/78/95/1137097895.db2.gz XUSBAOWNXOFCAT-FPAJZGIOSA-N 1 2 347.390 3.501 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000823404714 1137098617 /nfs/dbraw/zinc/09/86/17/1137098617.db2.gz UZXUQMQYIUQQJO-LBPRGKRZSA-N 1 2 326.366 3.818 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000823404714 1137098619 /nfs/dbraw/zinc/09/86/19/1137098619.db2.gz UZXUQMQYIUQQJO-LBPRGKRZSA-N 1 2 326.366 3.818 20 0 EHADLO COC(=O)[C@@H](Nc1ccc2c(c1)[nH+]cn2-c1ccccc1)C(F)(F)F ZINC001171016031 1137098831 /nfs/dbraw/zinc/09/88/31/1137098831.db2.gz WVXFBBLTPQWEAD-OAHLLOKOSA-N 1 2 349.312 3.541 20 0 EHADLO C[C@@H]1C[C@@H](C[N@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823441954 1137099544 /nfs/dbraw/zinc/09/95/44/1137099544.db2.gz CNKDSYZNRYZABS-OLZOCXBDSA-N 1 2 332.435 3.752 20 0 EHADLO C[C@@H]1C[C@@H](C[N@@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823441954 1137099546 /nfs/dbraw/zinc/09/95/46/1137099546.db2.gz CNKDSYZNRYZABS-OLZOCXBDSA-N 1 2 332.435 3.752 20 0 EHADLO CCC[C@@H](CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001136722982 1137100055 /nfs/dbraw/zinc/10/00/55/1137100055.db2.gz QCANCKNAFQUYPG-DLBZAZTESA-N 1 2 332.488 3.727 20 0 EHADLO COC(=O)[C@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(F)(F)F ZINC001171016554 1137100097 /nfs/dbraw/zinc/10/00/97/1137100097.db2.gz YRNHGQZYLLPIMP-AWEZNQCLSA-N 1 2 349.312 3.746 20 0 EHADLO C[C@H]1SCC[N@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@H]1C ZINC000118383665 1137113234 /nfs/dbraw/zinc/11/32/34/1137113234.db2.gz RIUOWLHUZYDUMM-QWHCGFSZSA-N 1 2 340.562 3.847 20 0 EHADLO C[C@H]1SCC[N@@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)[C@H]1C ZINC000118383665 1137113235 /nfs/dbraw/zinc/11/32/35/1137113235.db2.gz RIUOWLHUZYDUMM-QWHCGFSZSA-N 1 2 340.562 3.847 20 0 EHADLO O=C(C[C@H]1CCCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770370 1137113404 /nfs/dbraw/zinc/11/34/04/1137113404.db2.gz QSLNSOTVGGRNAT-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO COC1(C)CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001136849485 1137131208 /nfs/dbraw/zinc/13/12/08/1137131208.db2.gz MCROQCFRMQAZQO-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC001136856151 1137132679 /nfs/dbraw/zinc/13/26/79/1137132679.db2.gz BIESEZQLYXQNJA-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC001136856151 1137132680 /nfs/dbraw/zinc/13/26/80/1137132680.db2.gz BIESEZQLYXQNJA-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO CN1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)Cc2cccnc21 ZINC001136861169 1137133724 /nfs/dbraw/zinc/13/37/24/1137133724.db2.gz RAULAPJFWGMVFD-UHFFFAOYSA-N 1 2 326.831 3.668 20 0 EHADLO CN1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)Cc2cccnc21 ZINC001136861169 1137133725 /nfs/dbraw/zinc/13/37/25/1137133725.db2.gz RAULAPJFWGMVFD-UHFFFAOYSA-N 1 2 326.831 3.668 20 0 EHADLO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000777249857 1137138859 /nfs/dbraw/zinc/13/88/59/1137138859.db2.gz USBUHVPBMFWGRF-CABCVRRESA-N 1 2 348.491 3.786 20 0 EHADLO Fc1cc(F)c2c(c1)[C@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCC2 ZINC000824468787 1137140666 /nfs/dbraw/zinc/14/06/66/1137140666.db2.gz NZRQJSYDJUPZLZ-LJQANCHMSA-N 1 2 340.377 3.713 20 0 EHADLO Cc1ccccc1C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824673327 1137147643 /nfs/dbraw/zinc/14/76/43/1137147643.db2.gz QFOGKMDKQLCNOK-AWEZNQCLSA-N 1 2 328.403 3.633 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001143309643 1137150062 /nfs/dbraw/zinc/15/00/62/1137150062.db2.gz AQGDSGHEFVKSPV-LLVKDONJSA-N 1 2 333.325 3.654 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001143309643 1137150063 /nfs/dbraw/zinc/15/00/63/1137150063.db2.gz AQGDSGHEFVKSPV-LLVKDONJSA-N 1 2 333.325 3.654 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136930188 1137150316 /nfs/dbraw/zinc/15/03/16/1137150316.db2.gz BBYMAOOWQIUHQP-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cn1 ZINC001136930188 1137150317 /nfs/dbraw/zinc/15/03/17/1137150317.db2.gz BBYMAOOWQIUHQP-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946352 1137153173 /nfs/dbraw/zinc/15/31/73/1137153173.db2.gz WRGIRMYKFWCTKT-INIZCTEOSA-N 1 2 345.446 3.564 20 0 EHADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946352 1137153174 /nfs/dbraw/zinc/15/31/74/1137153174.db2.gz WRGIRMYKFWCTKT-INIZCTEOSA-N 1 2 345.446 3.564 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000794443942 1137154538 /nfs/dbraw/zinc/15/45/38/1137154538.db2.gz KSHBTCQWYMBGEE-OAHLLOKOSA-N 1 2 340.858 3.963 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000794443942 1137154539 /nfs/dbraw/zinc/15/45/39/1137154539.db2.gz KSHBTCQWYMBGEE-OAHLLOKOSA-N 1 2 340.858 3.963 20 0 EHADLO Cc1ccc2c(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c2c1 ZINC001136977105 1137162087 /nfs/dbraw/zinc/16/20/87/1137162087.db2.gz UESCJLGYHLYRQA-GOSISDBHSA-N 1 2 333.426 3.782 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000825058022 1137163732 /nfs/dbraw/zinc/16/37/32/1137163732.db2.gz VMAXILQZLFYSQC-GHMZBOCLSA-N 1 2 327.331 3.764 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000825058022 1137163733 /nfs/dbraw/zinc/16/37/33/1137163733.db2.gz VMAXILQZLFYSQC-GHMZBOCLSA-N 1 2 327.331 3.764 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)o1 ZINC000825085414 1137164776 /nfs/dbraw/zinc/16/47/76/1137164776.db2.gz KNMRCROENZVTCQ-UHFFFAOYSA-N 1 2 344.846 3.971 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1 ZINC000266048659 1137165494 /nfs/dbraw/zinc/16/54/94/1137165494.db2.gz ZZEKIBFOUXUMGG-AWEZNQCLSA-N 1 2 343.858 3.755 20 0 EHADLO CC1(C)CCc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2O1 ZINC000863046320 1137168219 /nfs/dbraw/zinc/16/82/19/1137168219.db2.gz BMXYGBZMOKDLHX-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO C[C@H](CC(=O)NCc1cn(C(F)F)c2ccccc12)n1cc[nH+]c1 ZINC000863132550 1137171183 /nfs/dbraw/zinc/17/11/83/1137171183.db2.gz DJYDGJKGUUQCQL-GFCCVEGCSA-N 1 2 332.354 3.500 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341074 1137181652 /nfs/dbraw/zinc/18/16/52/1137181652.db2.gz PFYJJLUDJSENEZ-RGDDUWESSA-N 1 2 331.485 3.711 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341074 1137181653 /nfs/dbraw/zinc/18/16/53/1137181653.db2.gz PFYJJLUDJSENEZ-RGDDUWESSA-N 1 2 331.485 3.711 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1(C(F)F)CC1 ZINC000843530891 1137183161 /nfs/dbraw/zinc/18/31/61/1137183161.db2.gz RLSBDVXMCLWMIW-UHFFFAOYSA-N 1 2 331.366 3.870 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2F)[C@@H]1C ZINC001143626516 1137185950 /nfs/dbraw/zinc/18/59/50/1137185950.db2.gz YMFRSSDDTXTSTR-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)[C@@H]1C ZINC001143626516 1137185951 /nfs/dbraw/zinc/18/59/51/1137185951.db2.gz YMFRSSDDTXTSTR-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143710703 1137192930 /nfs/dbraw/zinc/19/29/30/1137192930.db2.gz WTYMTGQLJSZELQ-LLVKDONJSA-N 1 2 347.686 3.858 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143710703 1137192932 /nfs/dbraw/zinc/19/29/32/1137192932.db2.gz WTYMTGQLJSZELQ-LLVKDONJSA-N 1 2 347.686 3.858 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001143738963 1137193755 /nfs/dbraw/zinc/19/37/55/1137193755.db2.gz CTGCQVSLPJEYBY-XJKSGUPXSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001143738963 1137193756 /nfs/dbraw/zinc/19/37/56/1137193756.db2.gz CTGCQVSLPJEYBY-XJKSGUPXSA-N 1 2 327.827 3.879 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2nc(C3CC3)[nH+]c(C)c2OC)c1 ZINC001171101214 1137196673 /nfs/dbraw/zinc/19/66/73/1137196673.db2.gz GMBYHMNZRQJRIA-NSHDSACASA-N 1 2 341.411 3.631 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105222 1137198893 /nfs/dbraw/zinc/19/88/93/1137198893.db2.gz QEMCCJUVDVNXSK-CVEARBPZSA-N 1 2 341.854 3.857 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1F ZINC001143825382 1137202316 /nfs/dbraw/zinc/20/23/16/1137202316.db2.gz LJNPTPFSYATUEY-SWLSCSKDSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1F ZINC001143825382 1137202317 /nfs/dbraw/zinc/20/23/17/1137202317.db2.gz LJNPTPFSYATUEY-SWLSCSKDSA-N 1 2 327.827 3.879 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001143810019 1137202685 /nfs/dbraw/zinc/20/26/85/1137202685.db2.gz JZWYNURYRLVIJB-UHFFFAOYSA-N 1 2 329.753 3.651 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1Br ZINC001143813265 1137202859 /nfs/dbraw/zinc/20/28/59/1137202859.db2.gz MHCWZTJNONEYTO-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1Br ZINC001143813265 1137202860 /nfs/dbraw/zinc/20/28/60/1137202860.db2.gz MHCWZTJNONEYTO-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO COc1c(F)cc(C[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC001143837489 1137204381 /nfs/dbraw/zinc/20/43/81/1137204381.db2.gz RBFAFWXAASPGKQ-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CN1C(=O)CCC12CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143867444 1137206729 /nfs/dbraw/zinc/20/67/29/1137206729.db2.gz COUOZWFUWDRDEC-UHFFFAOYSA-N 1 2 345.245 3.719 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc(SC(F)F)cc1)n1cc[nH+]c1 ZINC000844334628 1137211406 /nfs/dbraw/zinc/21/14/06/1137211406.db2.gz YODRHRYRMXUISN-NSHDSACASA-N 1 2 326.368 3.892 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143903156 1137211565 /nfs/dbraw/zinc/21/15/65/1137211565.db2.gz STMVLZSSFXDIPL-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143903156 1137211567 /nfs/dbraw/zinc/21/15/67/1137211567.db2.gz STMVLZSSFXDIPL-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844372034 1137213318 /nfs/dbraw/zinc/21/33/18/1137213318.db2.gz UABYIRMHHQVNDE-GOSISDBHSA-N 1 2 349.862 3.504 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844372034 1137213319 /nfs/dbraw/zinc/21/33/19/1137213319.db2.gz UABYIRMHHQVNDE-GOSISDBHSA-N 1 2 349.862 3.504 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(F)c1F ZINC001143915319 1137214843 /nfs/dbraw/zinc/21/48/43/1137214843.db2.gz DBXJBUQEBWUXBM-OAHLLOKOSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(F)c1F ZINC001143915319 1137214845 /nfs/dbraw/zinc/21/48/45/1137214845.db2.gz DBXJBUQEBWUXBM-OAHLLOKOSA-N 1 2 331.362 3.678 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)c2ccc(Cl)cc2)c1C ZINC000844361530 1137215379 /nfs/dbraw/zinc/21/53/79/1137215379.db2.gz UESHWAVYYSEQDQ-GFCCVEGCSA-N 1 2 332.831 3.780 20 0 EHADLO CCOc1ccc(F)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1F ZINC001143946678 1137217265 /nfs/dbraw/zinc/21/72/65/1137217265.db2.gz UNSVDWJLLQGWTC-AWEZNQCLSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1F ZINC001143946678 1137217266 /nfs/dbraw/zinc/21/72/66/1137217266.db2.gz UNSVDWJLLQGWTC-AWEZNQCLSA-N 1 2 333.378 3.799 20 0 EHADLO O=C1C[C@@H](c2cccc(F)c2)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000119906882 1137218699 /nfs/dbraw/zinc/21/86/99/1137218699.db2.gz IARKCZJIAOQIAJ-OAHLLOKOSA-N 1 2 344.455 3.825 20 0 EHADLO O=C1C[C@@H](c2cccc(F)c2)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000119906882 1137218701 /nfs/dbraw/zinc/21/87/01/1137218701.db2.gz IARKCZJIAOQIAJ-OAHLLOKOSA-N 1 2 344.455 3.825 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](CC(C)C)C3CC3)c2=S)cc1 ZINC000794616385 1137221124 /nfs/dbraw/zinc/22/11/24/1137221124.db2.gz GWAFXEUIQGMPKZ-UHFFFAOYSA-N 1 2 346.500 3.798 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](CC(C)C)C3CC3)c2=S)cc1 ZINC000794616385 1137221125 /nfs/dbraw/zinc/22/11/25/1137221125.db2.gz GWAFXEUIQGMPKZ-UHFFFAOYSA-N 1 2 346.500 3.798 20 0 EHADLO C/C=C/C=C/C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144005119 1137225238 /nfs/dbraw/zinc/22/52/38/1137225238.db2.gz POIHAFOTHODYIL-BYQOACHNSA-N 1 2 327.255 3.845 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001143996601 1137226863 /nfs/dbraw/zinc/22/68/63/1137226863.db2.gz CZONBFKCYAAFIO-KBPBESRZSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001143996601 1137226865 /nfs/dbraw/zinc/22/68/65/1137226865.db2.gz CZONBFKCYAAFIO-KBPBESRZSA-N 1 2 339.304 3.866 20 0 EHADLO Cc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1Br ZINC000844489072 1137228185 /nfs/dbraw/zinc/22/81/85/1137228185.db2.gz HNRYBQBUFOAPQO-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCC(Oc3cccnc3)CC2)cc1F ZINC001144028294 1137230456 /nfs/dbraw/zinc/23/04/56/1137230456.db2.gz ZAMZBZMGWAUJIH-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccns1 ZINC001144050639 1137232039 /nfs/dbraw/zinc/23/20/39/1137232039.db2.gz YIANDYHUUXVPCL-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccns1 ZINC001144050639 1137232041 /nfs/dbraw/zinc/23/20/41/1137232041.db2.gz YIANDYHUUXVPCL-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)cn1 ZINC001212613230 1137233479 /nfs/dbraw/zinc/23/34/79/1137233479.db2.gz JUGDENJPVJEHSM-UHFFFAOYSA-N 1 2 339.443 3.948 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1Cl ZINC001144125858 1137241966 /nfs/dbraw/zinc/24/19/66/1137241966.db2.gz SMJKCIMTOMODKM-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCCN(c3ccccn3)CC2)cc1Cl ZINC001144125858 1137241967 /nfs/dbraw/zinc/24/19/67/1137241967.db2.gz SMJKCIMTOMODKM-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144135697 1137242653 /nfs/dbraw/zinc/24/26/53/1137242653.db2.gz ZLQBLEVDDVHUNQ-UHFFFAOYSA-N 1 2 344.833 3.841 20 0 EHADLO Cc1ccnn1C1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144133503 1137242679 /nfs/dbraw/zinc/24/26/79/1137242679.db2.gz CARGWFXFYOIGQT-UHFFFAOYSA-N 1 2 325.790 3.960 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131115 1137244383 /nfs/dbraw/zinc/24/43/83/1137244383.db2.gz VGDQFOOJKHMKDE-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131115 1137244385 /nfs/dbraw/zinc/24/43/85/1137244385.db2.gz VGDQFOOJKHMKDE-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO CCc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc(CC)c1O ZINC001144151587 1137245636 /nfs/dbraw/zinc/24/56/36/1137245636.db2.gz YZSPDNABMTUYND-UHFFFAOYSA-N 1 2 346.515 3.597 20 0 EHADLO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000864912966 1137252041 /nfs/dbraw/zinc/25/20/41/1137252041.db2.gz RIOMUPAGOCXZCG-BTAUFWJCSA-N 1 2 342.483 3.526 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nc(C(C)(C)C)cs2)c1C ZINC000865051596 1137260543 /nfs/dbraw/zinc/26/05/43/1137260543.db2.gz PEQVVYNWWZRNSK-UHFFFAOYSA-N 1 2 347.484 3.733 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140744 1137265011 /nfs/dbraw/zinc/26/50/11/1137265011.db2.gz JNNTVXBKQASXTM-VIFPVBQESA-N 1 2 345.346 3.634 20 0 EHADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000865148690 1137265526 /nfs/dbraw/zinc/26/55/26/1137265526.db2.gz VXHIAYXCEAYZLO-FQEVSTJZSA-N 1 2 349.434 3.568 20 0 EHADLO CCN(c1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1)C(C)C ZINC000845137612 1137276014 /nfs/dbraw/zinc/27/60/14/1137276014.db2.gz VJWNMUFPSXPGKF-UHFFFAOYSA-N 1 2 340.471 3.635 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000865415557 1137281567 /nfs/dbraw/zinc/28/15/67/1137281567.db2.gz MJZRNJXAMSUFIS-UHFFFAOYSA-N 1 2 345.512 3.870 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1nccc(C)c1Br ZINC000865426482 1137282688 /nfs/dbraw/zinc/28/26/88/1137282688.db2.gz QUPOTIMNBMXSPS-UHFFFAOYSA-N 1 2 335.245 3.841 20 0 EHADLO Cc1ccccc1-c1cnc(COC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000845280735 1137283159 /nfs/dbraw/zinc/28/31/59/1137283159.db2.gz DHATWQVTZCDZJA-CQSZACIVSA-N 1 2 325.368 3.541 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC001144420619 1137290801 /nfs/dbraw/zinc/29/08/01/1137290801.db2.gz GYNULHPPJZQLCD-INIZCTEOSA-N 1 2 337.467 3.649 20 0 EHADLO CC[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000845473758 1137294261 /nfs/dbraw/zinc/29/42/61/1137294261.db2.gz INNPTHFOFGNAGP-MRXNPFEDSA-N 1 2 334.366 3.735 20 0 EHADLO COc1cc(C)c([C@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000845517525 1137296526 /nfs/dbraw/zinc/29/65/26/1137296526.db2.gz CVJIMOUOJPSTCE-HNNXBMFYSA-N 1 2 342.439 3.692 20 0 EHADLO C[C@@H](CC(=O)O[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000845561515 1137298145 /nfs/dbraw/zinc/29/81/45/1137298145.db2.gz JQGDNTLCMYKVNQ-UAGQMJEPSA-N 1 2 328.412 3.624 20 0 EHADLO COc1ncc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cc1F ZINC001144469973 1137298873 /nfs/dbraw/zinc/29/88/73/1137298873.db2.gz WVQZXKJVCOVIJI-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000865665394 1137302813 /nfs/dbraw/zinc/30/28/13/1137302813.db2.gz XFZHWXGGEQROHZ-QGZVFWFLSA-N 1 2 340.858 3.932 20 0 EHADLO C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000845655543 1137303787 /nfs/dbraw/zinc/30/37/87/1137303787.db2.gz ZQPCWZARPMFZJK-LBPRGKRZSA-N 1 2 344.833 3.631 20 0 EHADLO C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000845655543 1137303788 /nfs/dbraw/zinc/30/37/88/1137303788.db2.gz ZQPCWZARPMFZJK-LBPRGKRZSA-N 1 2 344.833 3.631 20 0 EHADLO Cc1[nH+]c(NCc2cc(F)c(F)c(F)c2)ccc1-c1cnn(C)c1 ZINC001202519285 1137304653 /nfs/dbraw/zinc/30/46/53/1137304653.db2.gz GEBNHTJBBLOEMT-UHFFFAOYSA-N 1 2 332.329 3.820 20 0 EHADLO Oc1cc(F)c(C[N@H+](Cc2ccccc2)C2CCOCC2)c(F)c1 ZINC001144555191 1137309154 /nfs/dbraw/zinc/30/91/54/1137309154.db2.gz YWZLZIBLGHEUPA-UHFFFAOYSA-N 1 2 333.378 3.852 20 0 EHADLO Oc1cc(F)c(C[N@@H+](Cc2ccccc2)C2CCOCC2)c(F)c1 ZINC001144555191 1137309156 /nfs/dbraw/zinc/30/91/56/1137309156.db2.gz YWZLZIBLGHEUPA-UHFFFAOYSA-N 1 2 333.378 3.852 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c(C)o1 ZINC000865803628 1137312694 /nfs/dbraw/zinc/31/26/94/1137312694.db2.gz GLGDSWMITMWMBY-UHFFFAOYSA-N 1 2 327.350 3.738 20 0 EHADLO COC(C)(C)c1nsc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000865805455 1137312981 /nfs/dbraw/zinc/31/29/81/1137312981.db2.gz ZMYAVSYFIMHDCR-JOCQHMNTSA-N 1 2 347.488 3.650 20 0 EHADLO O=C(/C=C\c1ccsc1C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000865804569 1137313144 /nfs/dbraw/zinc/31/31/44/1137313144.db2.gz BAIOASSPYVUCLG-ARJAWSKDSA-N 1 2 343.374 3.573 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(F)cc1Br ZINC001144591325 1137313690 /nfs/dbraw/zinc/31/36/90/1137313690.db2.gz VVTUASVLAXQKTQ-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(F)cc1Br ZINC001144591325 1137313692 /nfs/dbraw/zinc/31/36/92/1137313692.db2.gz VVTUASVLAXQKTQ-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(C)s1)c1cccc(Br)c1 ZINC000865822435 1137314169 /nfs/dbraw/zinc/31/41/69/1137314169.db2.gz GZZDAHZOOQHKPC-CYBMUJFWSA-N 1 2 341.274 3.691 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC001144611048 1137316961 /nfs/dbraw/zinc/31/69/61/1137316961.db2.gz ISWJKYMZDKQOQF-MRXNPFEDSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC001144611048 1137316963 /nfs/dbraw/zinc/31/69/63/1137316963.db2.gz ISWJKYMZDKQOQF-MRXNPFEDSA-N 1 2 347.256 3.972 20 0 EHADLO c1[nH+]c(CN2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c2ccccn12 ZINC001144618503 1137318984 /nfs/dbraw/zinc/31/89/84/1137318984.db2.gz UUEVNNRLXSIVQU-KNQAVFIVSA-N 1 2 347.462 3.873 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866002410 1137324011 /nfs/dbraw/zinc/32/40/11/1137324011.db2.gz WKYKCVOKFVIRAY-XLIONFOSSA-N 1 2 327.472 3.540 20 0 EHADLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CCCCCC(C)(C)C)c12 ZINC001144679104 1137328046 /nfs/dbraw/zinc/32/80/46/1137328046.db2.gz OJIWQFLZAOTTLU-UHFFFAOYSA-N 1 2 346.431 3.680 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001144689788 1137331117 /nfs/dbraw/zinc/33/11/17/1137331117.db2.gz MURJVNHVWPKHPW-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001144689788 1137331119 /nfs/dbraw/zinc/33/11/19/1137331119.db2.gz MURJVNHVWPKHPW-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@@H](F)C1 ZINC001144710248 1137336027 /nfs/dbraw/zinc/33/60/27/1137336027.db2.gz LFIFZYLQIJGWRN-MRXNPFEDSA-N 1 2 347.434 3.559 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H](F)C1 ZINC001144710248 1137336029 /nfs/dbraw/zinc/33/60/29/1137336029.db2.gz LFIFZYLQIJGWRN-MRXNPFEDSA-N 1 2 347.434 3.559 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2noc3ccc(F)cc23)c1 ZINC000866514056 1137360574 /nfs/dbraw/zinc/36/05/74/1137360574.db2.gz USZZRGVLWKIDBA-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO C[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000846753027 1137364840 /nfs/dbraw/zinc/36/48/40/1137364840.db2.gz YXGCASQWSGJBNL-KRWDZBQOSA-N 1 2 348.450 3.882 20 0 EHADLO Brc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)nc1 ZINC000866569066 1137365487 /nfs/dbraw/zinc/36/54/87/1137365487.db2.gz KUQIWYZPOOPQCN-HNNXBMFYSA-N 1 2 349.276 3.978 20 0 EHADLO COc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2cnsn2)cc1OC ZINC000846792277 1137366134 /nfs/dbraw/zinc/36/61/34/1137366134.db2.gz CQVXTPFPSDBTPV-MRXNPFEDSA-N 1 2 347.484 3.543 20 0 EHADLO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2cnsn2)cc1OC ZINC000846792277 1137366137 /nfs/dbraw/zinc/36/61/37/1137366137.db2.gz CQVXTPFPSDBTPV-MRXNPFEDSA-N 1 2 347.484 3.543 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000866581374 1137366660 /nfs/dbraw/zinc/36/66/60/1137366660.db2.gz GTBWWYWLTVGXEW-MAUKXSAKSA-N 1 2 343.446 3.800 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(Br)s2)c(C)n1 ZINC000866616858 1137369881 /nfs/dbraw/zinc/36/98/81/1137369881.db2.gz VLLPOCULBOTNNP-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Brc1ccc2[nH+]ccn2c1N[C@@H]1COCc2ccccc21 ZINC001171301676 1137403300 /nfs/dbraw/zinc/40/33/00/1137403300.db2.gz OBMSYJWDKLWPMX-CQSZACIVSA-N 1 2 344.212 3.780 20 0 EHADLO C/C(=C\c1ccc(Br)o1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868791274 1137423873 /nfs/dbraw/zinc/42/38/73/1137423873.db2.gz KOKCJGFKWFKTAP-YRNVUSSQSA-N 1 2 349.228 3.774 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCCCCC1CC1)c1ccccc1 ZINC000869055770 1137435209 /nfs/dbraw/zinc/43/52/09/1137435209.db2.gz VEICWEAOHVBHKI-GOSISDBHSA-N 1 2 340.471 3.583 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000869104217 1137436620 /nfs/dbraw/zinc/43/66/20/1137436620.db2.gz CTJCMBNSVYZKRJ-ZWKOTPCHSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000869104217 1137436622 /nfs/dbraw/zinc/43/66/22/1137436622.db2.gz CTJCMBNSVYZKRJ-ZWKOTPCHSA-N 1 2 341.480 3.781 20 0 EHADLO CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1(CC)CC ZINC001148989404 1137439192 /nfs/dbraw/zinc/43/91/92/1137439192.db2.gz XYXQHSFNTQUHEE-IAGOWNOFSA-N 1 2 329.444 3.619 20 0 EHADLO C[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccsc1 ZINC000348098853 1137440269 /nfs/dbraw/zinc/44/02/69/1137440269.db2.gz URSGGCWZVFHNIC-GJZGRUSLSA-N 1 2 344.480 3.884 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000348110849 1137441504 /nfs/dbraw/zinc/44/15/04/1137441504.db2.gz NSHPFWNHAGIVIZ-HXUWFJFHSA-N 1 2 337.467 3.657 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000348110849 1137441505 /nfs/dbraw/zinc/44/15/05/1137441505.db2.gz NSHPFWNHAGIVIZ-HXUWFJFHSA-N 1 2 337.467 3.657 20 0 EHADLO COCc1noc(C[N@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000348116083 1137442232 /nfs/dbraw/zinc/44/22/32/1137442232.db2.gz AXVPZEOPEMAUHV-UHFFFAOYSA-N 1 2 343.349 3.645 20 0 EHADLO COCc1noc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000348116083 1137442233 /nfs/dbraw/zinc/44/22/33/1137442233.db2.gz AXVPZEOPEMAUHV-UHFFFAOYSA-N 1 2 343.349 3.645 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2csc(CC(=O)OC(C)C)n2)c(C)o1 ZINC000348109279 1137445614 /nfs/dbraw/zinc/44/56/14/1137445614.db2.gz LFCHOIPMDIZALJ-LBPRGKRZSA-N 1 2 336.457 3.698 20 0 EHADLO Cc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282778525 1137449916 /nfs/dbraw/zinc/44/99/16/1137449916.db2.gz IJMUVQLKHYAOCT-INIZCTEOSA-N 1 2 338.455 3.939 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cc2ccccc2o1 ZINC000712481640 1137468172 /nfs/dbraw/zinc/46/81/72/1137468172.db2.gz JBCRXFGCBJSJHX-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2ncc(Br)s2)c1 ZINC000713628985 1137470446 /nfs/dbraw/zinc/47/04/46/1137470446.db2.gz KLSXSHQZOSCTNH-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO Cc1ccc([C@H](NC(=O)CCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000339099262 1137478939 /nfs/dbraw/zinc/47/89/39/1137478939.db2.gz SMNMXYVNXWSHSS-OAQYLSRUSA-N 1 2 333.435 3.567 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773256208 1137481731 /nfs/dbraw/zinc/48/17/31/1137481731.db2.gz BHSNABDZHAQTIW-OLZOCXBDSA-N 1 2 339.530 3.648 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773256208 1137481732 /nfs/dbraw/zinc/48/17/32/1137481732.db2.gz BHSNABDZHAQTIW-OLZOCXBDSA-N 1 2 339.530 3.648 20 0 EHADLO Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCN(c3c(F)cccc3F)CC2)c1 ZINC001171521813 1137496147 /nfs/dbraw/zinc/49/61/47/1137496147.db2.gz HMOPVEAPLSSEKD-YJBOKZPZSA-N 1 2 332.369 3.782 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC2(F)F)C[C@@H]1C(C)(C)C ZINC001171586537 1137497020 /nfs/dbraw/zinc/49/70/20/1137497020.db2.gz RBKLXYKAWQTPSZ-YNEHKIRRSA-N 1 2 332.435 3.798 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601829 1137500239 /nfs/dbraw/zinc/50/02/39/1137500239.db2.gz MFOHHJBOHOEMNF-YJNKXOJESA-N 1 2 346.462 3.792 20 0 EHADLO CC[C@@H]1C[C@H]([NH2+][C@H]2CC2(F)F)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171812507 1137514631 /nfs/dbraw/zinc/51/46/31/1137514631.db2.gz QBHBCXBTYKCHBQ-CRWXNKLISA-N 1 2 332.435 3.940 20 0 EHADLO CCCC[C@@H]1C[N@H+](Cc2cccnc2)CCN1C(=O)OC(C)(C)C ZINC001204076225 1137516317 /nfs/dbraw/zinc/51/63/17/1137516317.db2.gz PQTKTSMYPBPPOY-QGZVFWFLSA-N 1 2 333.476 3.693 20 0 EHADLO CCCC[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C(=O)OC(C)(C)C ZINC001204076225 1137516318 /nfs/dbraw/zinc/51/63/18/1137516318.db2.gz PQTKTSMYPBPPOY-QGZVFWFLSA-N 1 2 333.476 3.693 20 0 EHADLO COc1ccc2[nH+]ccc(Nc3ccc(C4CCOCC4)cc3)c2n1 ZINC001212652188 1137548022 /nfs/dbraw/zinc/54/80/22/1137548022.db2.gz BPXOVHHDZCPEQZ-UHFFFAOYSA-N 1 2 335.407 3.698 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172343862 1137552763 /nfs/dbraw/zinc/55/27/63/1137552763.db2.gz VUOFXKPERDOBRC-QWRGUYRKSA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172343862 1137552765 /nfs/dbraw/zinc/55/27/65/1137552765.db2.gz VUOFXKPERDOBRC-QWRGUYRKSA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172348314 1137553454 /nfs/dbraw/zinc/55/34/54/1137553454.db2.gz PNFGMSCBAORXBC-SUNYJGFJSA-N 1 2 327.415 3.932 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172348314 1137553456 /nfs/dbraw/zinc/55/34/56/1137553456.db2.gz PNFGMSCBAORXBC-SUNYJGFJSA-N 1 2 327.415 3.932 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000123840375 1137561255 /nfs/dbraw/zinc/56/12/55/1137561255.db2.gz PMOFGZBYZDNCAO-JKSUJKDBSA-N 1 2 346.475 3.540 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000872056332 1137568449 /nfs/dbraw/zinc/56/84/49/1137568449.db2.gz PZOJFCRVCRYILS-QFBILLFUSA-N 1 2 332.488 3.653 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)CCO1 ZINC000872056332 1137568450 /nfs/dbraw/zinc/56/84/50/1137568450.db2.gz PZOJFCRVCRYILS-QFBILLFUSA-N 1 2 332.488 3.653 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000872061008 1137568930 /nfs/dbraw/zinc/56/89/30/1137568930.db2.gz VIUIXQKMUJOGER-SUMDDJOVSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(O)c1F ZINC000872077791 1137570128 /nfs/dbraw/zinc/57/01/28/1137570128.db2.gz BORSNXQYROUNBX-AUYAEMIRSA-N 1 2 337.416 3.517 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cc(O)ccc1F ZINC000872082964 1137570309 /nfs/dbraw/zinc/57/03/09/1137570309.db2.gz FGKVEXCFTJTTRZ-KUHUBIRLSA-N 1 2 339.414 3.899 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000872134972 1137573514 /nfs/dbraw/zinc/57/35/14/1137573514.db2.gz AUMHMTHRZYNKTQ-CYBMUJFWSA-N 1 2 344.415 3.808 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000872135322 1137573628 /nfs/dbraw/zinc/57/36/28/1137573628.db2.gz FOQMVRBDDMZJML-ZDUSSCGKSA-N 1 2 325.384 3.860 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000872134973 1137573634 /nfs/dbraw/zinc/57/36/34/1137573634.db2.gz AUMHMTHRZYNKTQ-ZDUSSCGKSA-N 1 2 344.415 3.808 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000872136312 1137573687 /nfs/dbraw/zinc/57/36/87/1137573687.db2.gz MEAXTUOZIDBVBK-CYBMUJFWSA-N 1 2 336.233 3.653 20 0 EHADLO COC[C@]1(c2nc(C(C)(C)c3ccccc3Cl)no2)CCCC[NH2+]1 ZINC000872180204 1137575381 /nfs/dbraw/zinc/57/53/81/1137575381.db2.gz MWLGIGOZALHVJW-SFHVURJKSA-N 1 2 349.862 3.664 20 0 EHADLO [NH3+][C@@H](c1nc(CCc2ccco2)no1)c1cccc(C(F)(F)F)c1 ZINC000872176770 1137575494 /nfs/dbraw/zinc/57/54/94/1137575494.db2.gz XMACHMUGMDWPEL-CQSZACIVSA-N 1 2 337.301 3.515 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CN2C[C@@H](C3CCCCC3)CC2=O)on1 ZINC000872560318 1137581518 /nfs/dbraw/zinc/58/15/18/1137581518.db2.gz KACSWMBBRYWHNS-DLBZAZTESA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CN2C[C@@H](C3CCCCC3)CC2=O)on1 ZINC000872560318 1137581519 /nfs/dbraw/zinc/58/15/19/1137581519.db2.gz KACSWMBBRYWHNS-DLBZAZTESA-N 1 2 331.460 3.506 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccsc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000872816743 1137584866 /nfs/dbraw/zinc/58/48/66/1137584866.db2.gz NKHWMRGCQQVKCJ-RISCZKNCSA-N 1 2 345.390 3.611 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccsc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000872816743 1137584867 /nfs/dbraw/zinc/58/48/67/1137584867.db2.gz NKHWMRGCQQVKCJ-RISCZKNCSA-N 1 2 345.390 3.611 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2c(F)cccc2OCC)c1 ZINC000873014381 1137588176 /nfs/dbraw/zinc/58/81/76/1137588176.db2.gz PQNFRSOLCYMOBW-UHFFFAOYSA-N 1 2 344.430 3.654 20 0 EHADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCCCC1 ZINC000874259557 1137612184 /nfs/dbraw/zinc/61/21/84/1137612184.db2.gz ULGNJGHBNOIZPG-AWEZNQCLSA-N 1 2 331.382 3.948 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000874345520 1137613216 /nfs/dbraw/zinc/61/32/16/1137613216.db2.gz AOVPPSVXNCXFAH-XLIONFOSSA-N 1 2 341.430 3.554 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000874346798 1137613247 /nfs/dbraw/zinc/61/32/47/1137613247.db2.gz QEPNXJSZWJJSFS-RBUKOAKNSA-N 1 2 325.456 3.624 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001137081758 1137620515 /nfs/dbraw/zinc/62/05/15/1137620515.db2.gz QDWXWOIZOPQVPS-UHFFFAOYSA-N 1 2 339.361 3.921 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001137081758 1137620516 /nfs/dbraw/zinc/62/05/16/1137620516.db2.gz QDWXWOIZOPQVPS-UHFFFAOYSA-N 1 2 339.361 3.921 20 0 EHADLO CCC1(CC)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000875044306 1137628402 /nfs/dbraw/zinc/62/84/02/1137628402.db2.gz XLRTWJLCUAUVLN-UHFFFAOYSA-N 1 2 330.476 3.546 20 0 EHADLO C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC001137088777 1137632790 /nfs/dbraw/zinc/63/27/90/1137632790.db2.gz QHBSYSCNCGPWNT-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000875486433 1137634124 /nfs/dbraw/zinc/63/41/24/1137634124.db2.gz XKBJPZCQHUYWHI-UHFFFAOYSA-N 1 2 327.306 3.629 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000825815127 1137637885 /nfs/dbraw/zinc/63/78/85/1137637885.db2.gz ZACQYYGVHCWIPK-KRWDZBQOSA-N 1 2 330.403 3.538 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2cccnc2Br)c1 ZINC000876791540 1137661412 /nfs/dbraw/zinc/66/14/12/1137661412.db2.gz FKQAFAZKMJEYLY-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2cccnc2Br)c1 ZINC000876791540 1137661413 /nfs/dbraw/zinc/66/14/13/1137661413.db2.gz FKQAFAZKMJEYLY-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(NC(=O)C(C)C)c2)c1C ZINC000876820363 1137662631 /nfs/dbraw/zinc/66/26/31/1137662631.db2.gz UEOZSXGUQCMJPV-UHFFFAOYSA-N 1 2 327.428 3.914 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccnc2Br)C1 ZINC000877342097 1137674623 /nfs/dbraw/zinc/67/46/23/1137674623.db2.gz ITOIYQSVLOTGHY-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccnc2Br)C1 ZINC000877342097 1137674624 /nfs/dbraw/zinc/67/46/24/1137674624.db2.gz ITOIYQSVLOTGHY-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1nc2ccccc2nc1C[NH2+][C@H]1CCCc2cn(C(C)C)nc21 ZINC000877375850 1137675038 /nfs/dbraw/zinc/67/50/38/1137675038.db2.gz GNACSPUJKQTYDD-SFHVURJKSA-N 1 2 335.455 3.883 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)o1 ZINC000877459995 1137676961 /nfs/dbraw/zinc/67/69/61/1137676961.db2.gz QNUXVTNHCAFDSY-UHFFFAOYSA-N 1 2 343.427 3.524 20 0 EHADLO C[N@H+](Cc1nc(Cl)cs1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000877569044 1137681620 /nfs/dbraw/zinc/68/16/20/1137681620.db2.gz YLNCGFPLNSLBIF-UHFFFAOYSA-N 1 2 345.896 3.676 20 0 EHADLO C[N@@H+](Cc1nc(Cl)cs1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000877569044 1137681621 /nfs/dbraw/zinc/68/16/21/1137681621.db2.gz YLNCGFPLNSLBIF-UHFFFAOYSA-N 1 2 345.896 3.676 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(OC(F)F)cc2F)c1C ZINC000877663524 1137684796 /nfs/dbraw/zinc/68/47/96/1137684796.db2.gz CUXZPUDENOOFSG-UHFFFAOYSA-N 1 2 341.377 3.892 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2F)c1C ZINC000877663524 1137684797 /nfs/dbraw/zinc/68/47/97/1137684797.db2.gz CUXZPUDENOOFSG-UHFFFAOYSA-N 1 2 341.377 3.892 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000877672428 1137685141 /nfs/dbraw/zinc/68/51/41/1137685141.db2.gz DZUWKWNATJQKNB-UKRRQHHQSA-N 1 2 336.229 3.740 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000877672428 1137685142 /nfs/dbraw/zinc/68/51/42/1137685142.db2.gz DZUWKWNATJQKNB-UKRRQHHQSA-N 1 2 336.229 3.740 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000877764154 1137688805 /nfs/dbraw/zinc/68/88/05/1137688805.db2.gz VJNPKWPXGGKJBE-GOSISDBHSA-N 1 2 338.459 3.586 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877981689 1137698234 /nfs/dbraw/zinc/69/82/34/1137698234.db2.gz VSVCQKNZPNZVOS-ROUUACIJSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877981689 1137698235 /nfs/dbraw/zinc/69/82/35/1137698235.db2.gz VSVCQKNZPNZVOS-ROUUACIJSA-N 1 2 339.439 3.579 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000877985153 1137698336 /nfs/dbraw/zinc/69/83/36/1137698336.db2.gz UITATPSTBIYPFK-MRXNPFEDSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000877985153 1137698337 /nfs/dbraw/zinc/69/83/37/1137698337.db2.gz UITATPSTBIYPFK-MRXNPFEDSA-N 1 2 339.370 3.918 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000878115090 1137702875 /nfs/dbraw/zinc/70/28/75/1137702875.db2.gz WIAMSEXWENQVDY-QAPCUYQASA-N 1 2 341.480 3.507 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000878115090 1137702876 /nfs/dbraw/zinc/70/28/76/1137702876.db2.gz WIAMSEXWENQVDY-QAPCUYQASA-N 1 2 341.480 3.507 20 0 EHADLO COC(=O)CCC[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccccc1 ZINC000878203024 1137706909 /nfs/dbraw/zinc/70/69/09/1137706909.db2.gz VZRRODNTJSTGBH-UHFFFAOYSA-N 1 2 342.439 3.509 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccccc1 ZINC000878203024 1137706910 /nfs/dbraw/zinc/70/69/10/1137706910.db2.gz VZRRODNTJSTGBH-UHFFFAOYSA-N 1 2 342.439 3.509 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2scnc2Cl)C1 ZINC000878562823 1137720378 /nfs/dbraw/zinc/72/03/78/1137720378.db2.gz GLUAVLSZJRYIDY-HNNXBMFYSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2scnc2Cl)C1 ZINC000878562823 1137720379 /nfs/dbraw/zinc/72/03/79/1137720379.db2.gz GLUAVLSZJRYIDY-HNNXBMFYSA-N 1 2 345.896 3.533 20 0 EHADLO C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616768 1137722438 /nfs/dbraw/zinc/72/24/38/1137722438.db2.gz SBVZLNXHTXPYTE-OWCLPIDISA-N 1 2 347.459 3.550 20 0 EHADLO C([C@H]1CCC2(CCC2)O1)[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616768 1137722439 /nfs/dbraw/zinc/72/24/39/1137722439.db2.gz SBVZLNXHTXPYTE-OWCLPIDISA-N 1 2 347.459 3.550 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)no1 ZINC000878631486 1137723120 /nfs/dbraw/zinc/72/31/20/1137723120.db2.gz BKXKJONDWWGCGR-BHYGNILZSA-N 1 2 345.443 3.566 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2csc(-c3ccn(C)n3)n2)c1C ZINC000878639283 1137723497 /nfs/dbraw/zinc/72/34/97/1137723497.db2.gz GPFWOATZPBUAHK-UHFFFAOYSA-N 1 2 326.469 3.792 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2csc(-c3ccn(C)n3)n2)c1C ZINC000878639283 1137723498 /nfs/dbraw/zinc/72/34/98/1137723498.db2.gz GPFWOATZPBUAHK-UHFFFAOYSA-N 1 2 326.469 3.792 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1c1ccccc1 ZINC000878665948 1137724124 /nfs/dbraw/zinc/72/41/24/1137724124.db2.gz NMSQYOCOXITJOO-HZPDHXFCSA-N 1 2 343.320 3.598 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1c1ccccc1 ZINC000878665948 1137724125 /nfs/dbraw/zinc/72/41/25/1137724125.db2.gz NMSQYOCOXITJOO-HZPDHXFCSA-N 1 2 343.320 3.598 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1c1ccccc1 ZINC000878665950 1137724195 /nfs/dbraw/zinc/72/41/95/1137724195.db2.gz NMSQYOCOXITJOO-JKSUJKDBSA-N 1 2 343.320 3.598 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1c1ccccc1 ZINC000878665950 1137724196 /nfs/dbraw/zinc/72/41/96/1137724196.db2.gz NMSQYOCOXITJOO-JKSUJKDBSA-N 1 2 343.320 3.598 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2scnc2Cl)CC1 ZINC000878763678 1137727399 /nfs/dbraw/zinc/72/73/99/1137727399.db2.gz LBYNVOOPOGVPRL-UHFFFAOYSA-N 1 2 330.881 3.740 20 0 EHADLO O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000878767919 1137727599 /nfs/dbraw/zinc/72/75/99/1137727599.db2.gz RVMHSVVYMNSPNF-ROUUACIJSA-N 1 2 327.472 3.514 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000878916844 1137732013 /nfs/dbraw/zinc/73/20/13/1137732013.db2.gz UWVKSMRHFIZYJF-SFHVURJKSA-N 1 2 340.423 3.969 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000878916844 1137732014 /nfs/dbraw/zinc/73/20/14/1137732014.db2.gz UWVKSMRHFIZYJF-SFHVURJKSA-N 1 2 340.423 3.969 20 0 EHADLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000879100108 1137737650 /nfs/dbraw/zinc/73/76/50/1137737650.db2.gz INQCCXOWYURDSH-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1ccccc1-c1nc(CSCc2cc[nH+]c(N(C)C)c2)no1 ZINC000127675051 1137744713 /nfs/dbraw/zinc/74/47/13/1137744713.db2.gz XPTUXOWJCZVSKB-UHFFFAOYSA-N 1 2 340.452 3.939 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OC)c1OC ZINC000879464810 1137748562 /nfs/dbraw/zinc/74/85/62/1137748562.db2.gz VCTKSZZHUCHQFO-ZDUSSCGKSA-N 1 2 343.383 3.588 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CCCC(=O)c3ccccc3)CCO2)cc1 ZINC000879635717 1137752964 /nfs/dbraw/zinc/75/29/64/1137752964.db2.gz BCVDXUXZQZCSOL-NRFANRHFSA-N 1 2 339.435 3.732 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CCCC(=O)c3ccccc3)CCO2)cc1 ZINC000879635717 1137752965 /nfs/dbraw/zinc/75/29/65/1137752965.db2.gz BCVDXUXZQZCSOL-NRFANRHFSA-N 1 2 339.435 3.732 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1ccnn1C ZINC000879686202 1137755393 /nfs/dbraw/zinc/75/53/93/1137755393.db2.gz VYINNKZHXZVUEU-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO Cc1ccc(-c2cc(C[N@@H+]3CCO[C@H](C(F)(F)F)CC3)on2)cc1 ZINC000880046122 1137766628 /nfs/dbraw/zinc/76/66/28/1137766628.db2.gz RXRRRVDVPHXCIB-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO Cc1ccc(-c2cc(C[N@H+]3CCO[C@H](C(F)(F)F)CC3)on2)cc1 ZINC000880046122 1137766629 /nfs/dbraw/zinc/76/66/29/1137766629.db2.gz RXRRRVDVPHXCIB-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(C(F)(F)F)nc1 ZINC000880099714 1137768113 /nfs/dbraw/zinc/76/81/13/1137768113.db2.gz IWMKCCRTXYLQSJ-VIFPVBQESA-N 1 2 338.289 3.594 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880287958 1137773478 /nfs/dbraw/zinc/77/34/78/1137773478.db2.gz SQXHZNBLGBQAAN-CYBMUJFWSA-N 1 2 335.835 3.638 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880287958 1137773479 /nfs/dbraw/zinc/77/34/79/1137773479.db2.gz SQXHZNBLGBQAAN-CYBMUJFWSA-N 1 2 335.835 3.638 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000880303743 1137774071 /nfs/dbraw/zinc/77/40/71/1137774071.db2.gz RFHUBYKVLQGSMB-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000880303743 1137774072 /nfs/dbraw/zinc/77/40/72/1137774072.db2.gz RFHUBYKVLQGSMB-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO Fc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1Br ZINC000880365705 1137776429 /nfs/dbraw/zinc/77/64/29/1137776429.db2.gz QGDYIMDSYJKDHQ-UHFFFAOYSA-N 1 2 336.208 3.547 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)n1 ZINC000880383826 1137777325 /nfs/dbraw/zinc/77/73/25/1137777325.db2.gz KFASBQMSXKPDMY-SNVBAGLBSA-N 1 2 343.349 3.821 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1cccc(F)n1)CC2 ZINC000880394250 1137777797 /nfs/dbraw/zinc/77/77/97/1137777797.db2.gz ZEVDYMZMGVLXMZ-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1cccc(F)n1)CC2 ZINC000880394250 1137777798 /nfs/dbraw/zinc/77/77/98/1137777798.db2.gz ZEVDYMZMGVLXMZ-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO FC(F)(F)c1nnc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)s1 ZINC000880577617 1137781669 /nfs/dbraw/zinc/78/16/69/1137781669.db2.gz MUUZKQGSIHGQLW-LBPRGKRZSA-N 1 2 349.422 3.586 20 0 EHADLO FC(F)(F)c1nnc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)s1 ZINC000880577617 1137781670 /nfs/dbraw/zinc/78/16/70/1137781670.db2.gz MUUZKQGSIHGQLW-LBPRGKRZSA-N 1 2 349.422 3.586 20 0 EHADLO CC1(C)C=Cc2cccc(NC(=O)NCCCCn3cc[nH+]c3)c2O1 ZINC000880637926 1137782991 /nfs/dbraw/zinc/78/29/91/1137782991.db2.gz BQGFOHDAUYZTFJ-UHFFFAOYSA-N 1 2 340.427 3.669 20 0 EHADLO Cc1csc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC001137158588 1137785116 /nfs/dbraw/zinc/78/51/16/1137785116.db2.gz ZLILNRMBECILCR-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCCCS[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873662 1137836405 /nfs/dbraw/zinc/83/64/05/1137836405.db2.gz GZPAXJZIFFPUQB-DOTOQJQBSA-N 1 2 331.485 3.662 20 0 EHADLO CCOCCOc1cc(C)ccc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883036504 1137842340 /nfs/dbraw/zinc/84/23/40/1137842340.db2.gz OKGQGHDCAQNNQQ-UHFFFAOYSA-N 1 2 331.460 3.547 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000131007615 1137845035 /nfs/dbraw/zinc/84/50/35/1137845035.db2.gz UQTZDFFORCQTSS-HNNXBMFYSA-N 1 2 348.541 3.711 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000131007615 1137845036 /nfs/dbraw/zinc/84/50/36/1137845036.db2.gz UQTZDFFORCQTSS-HNNXBMFYSA-N 1 2 348.541 3.711 20 0 EHADLO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000131119822 1137846506 /nfs/dbraw/zinc/84/65/06/1137846506.db2.gz DVELSJHQVRIRCW-IBGZPJMESA-N 1 2 341.455 3.673 20 0 EHADLO COc1cc(F)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1OC ZINC000883381481 1137858373 /nfs/dbraw/zinc/85/83/73/1137858373.db2.gz NWFROAYZAQRHMB-DNVCBOLYSA-N 1 2 333.378 3.958 20 0 EHADLO COc1cc(F)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1OC ZINC000883381482 1137858392 /nfs/dbraw/zinc/85/83/92/1137858392.db2.gz NWFROAYZAQRHMB-HNAYVOBHSA-N 1 2 333.378 3.958 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883383134 1137858607 /nfs/dbraw/zinc/85/86/07/1137858607.db2.gz UBWVYLSERVJFFB-ICSRJNTNSA-N 1 2 345.414 3.793 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000131912168 1137861289 /nfs/dbraw/zinc/86/12/89/1137861289.db2.gz SIGHYEXQEBYEPW-IAGOWNOFSA-N 1 2 343.515 3.664 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C2CC2)O1 ZINC000348226685 1137861889 /nfs/dbraw/zinc/86/18/89/1137861889.db2.gz ICGSMDSXYFZSMV-HRAATJIYSA-N 1 2 338.451 3.660 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C2CC2)O1 ZINC000348226685 1137861890 /nfs/dbraw/zinc/86/18/90/1137861890.db2.gz ICGSMDSXYFZSMV-HRAATJIYSA-N 1 2 338.451 3.660 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000132090974 1137862791 /nfs/dbraw/zinc/86/27/91/1137862791.db2.gz PYUBUDWBNXJFQD-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000132090974 1137862792 /nfs/dbraw/zinc/86/27/92/1137862792.db2.gz PYUBUDWBNXJFQD-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000132099475 1137862978 /nfs/dbraw/zinc/86/29/78/1137862978.db2.gz LIJKIMSKIBXYKP-GOSISDBHSA-N 1 2 326.444 3.592 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3cnc(-c4ccccc4)n3)CCC2)c(F)c1 ZINC000132601094 1137867655 /nfs/dbraw/zinc/86/76/55/1137867655.db2.gz SSQJELHSDOQHCV-UHFFFAOYSA-N 1 2 340.377 3.850 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101866097 1137871859 /nfs/dbraw/zinc/87/18/59/1137871859.db2.gz JHBWQGLZHRFTAA-UHFFFAOYSA-N 1 2 329.469 3.614 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2c(C)cccc2Cl)c1C ZINC000133062771 1137877051 /nfs/dbraw/zinc/87/70/51/1137877051.db2.gz HQZTXBJJBRAVLT-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000883979956 1137885968 /nfs/dbraw/zinc/88/59/68/1137885968.db2.gz ZXUDKYLDMUWWQJ-UHFFFAOYSA-N 1 2 349.356 3.662 20 0 EHADLO Cc1cc(Cl)cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348266739 1137889135 /nfs/dbraw/zinc/88/91/35/1137889135.db2.gz KDELWIVPMCGYFD-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)cs1 ZINC000111376125 1137904401 /nfs/dbraw/zinc/90/44/01/1137904401.db2.gz XPWXDKPQEIGZGJ-KGLIPLIRSA-N 1 2 343.496 3.724 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331714456 1137918044 /nfs/dbraw/zinc/91/80/44/1137918044.db2.gz MSPSNZUHMURNAD-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000331714456 1137918045 /nfs/dbraw/zinc/91/80/45/1137918045.db2.gz MSPSNZUHMURNAD-KRWDZBQOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000331824019 1137922031 /nfs/dbraw/zinc/92/20/31/1137922031.db2.gz MRLIMNUPRRADLL-QGZVFWFLSA-N 1 2 343.402 3.751 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccccn1 ZINC000119776517 1137944424 /nfs/dbraw/zinc/94/44/24/1137944424.db2.gz NAHMPXHKTYVRRA-GOSISDBHSA-N 1 2 345.512 3.869 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccccn1 ZINC000119776517 1137944425 /nfs/dbraw/zinc/94/44/25/1137944425.db2.gz NAHMPXHKTYVRRA-GOSISDBHSA-N 1 2 345.512 3.869 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000120197687 1137947344 /nfs/dbraw/zinc/94/73/44/1137947344.db2.gz QTQNOCZSNVBGAH-UHFFFAOYSA-N 1 2 340.399 3.752 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000121013684 1137954400 /nfs/dbraw/zinc/95/44/00/1137954400.db2.gz GVFUHOHZQUFAPC-GOSISDBHSA-N 1 2 334.485 3.520 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000121013684 1137954401 /nfs/dbraw/zinc/95/44/01/1137954401.db2.gz GVFUHOHZQUFAPC-GOSISDBHSA-N 1 2 334.485 3.520 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)no1 ZINC000121126685 1137955307 /nfs/dbraw/zinc/95/53/07/1137955307.db2.gz BKDJOKXKGWXOPL-GFCCVEGCSA-N 1 2 336.461 3.503 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)no1 ZINC000121126685 1137955308 /nfs/dbraw/zinc/95/53/08/1137955308.db2.gz BKDJOKXKGWXOPL-GFCCVEGCSA-N 1 2 336.461 3.503 20 0 EHADLO O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000282921147 1137963692 /nfs/dbraw/zinc/96/36/92/1137963692.db2.gz DUVQGOXXMUWFQA-GFCCVEGCSA-N 1 2 331.445 3.545 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H](O)c1ccccc1 ZINC000215875702 1137964441 /nfs/dbraw/zinc/96/44/41/1137964441.db2.gz TYHAHPZEOWONQV-SFHVURJKSA-N 1 2 336.391 3.557 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000885243211 1137991207 /nfs/dbraw/zinc/99/12/07/1137991207.db2.gz ZQWKUMPCBLTJFY-MRXNPFEDSA-N 1 2 337.876 3.612 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2cccnc21 ZINC000885362034 1137996744 /nfs/dbraw/zinc/99/67/44/1137996744.db2.gz OOTDGUNELDYQGZ-ZWKOTPCHSA-N 1 2 346.434 3.521 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c(F)c1OC ZINC000885999564 1138031371 /nfs/dbraw/zinc/03/13/71/1138031371.db2.gz JWWQNPBGVXTXSV-OAHLLOKOSA-N 1 2 336.432 3.849 20 0 EHADLO C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206603 1138059225 /nfs/dbraw/zinc/05/92/25/1138059225.db2.gz YHPVPBCTTGKMBT-ULQDDVLXSA-N 1 2 331.460 3.822 20 0 EHADLO C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206603 1138059228 /nfs/dbraw/zinc/05/92/28/1138059228.db2.gz YHPVPBCTTGKMBT-ULQDDVLXSA-N 1 2 331.460 3.822 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)[C@H](CO)c3ccccc3C)o2)cc1 ZINC000886431614 1138076276 /nfs/dbraw/zinc/07/62/76/1138076276.db2.gz BVSKYLKIRIZDRV-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)[C@H](CO)c3ccccc3C)o2)cc1 ZINC000886431614 1138076277 /nfs/dbraw/zinc/07/62/77/1138076277.db2.gz BVSKYLKIRIZDRV-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO COc1cc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c(F)cn1 ZINC000348387010 1138086627 /nfs/dbraw/zinc/08/66/27/1138086627.db2.gz XYTHBXIVTPMGEG-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO CC(C)[C@H]([NH2+][C@H]1CCc2cccnc21)c1nc(-c2cccnc2)no1 ZINC000886522257 1138089419 /nfs/dbraw/zinc/08/94/19/1138089419.db2.gz GAHPXQJZFVLLAG-HOTGVXAUSA-N 1 2 335.411 3.501 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)cs1 ZINC000886544820 1138093732 /nfs/dbraw/zinc/09/37/32/1138093732.db2.gz BFCNBRAQDLYJRN-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@H](C)[C@@H]2c2ccccc2)cs1 ZINC000886544820 1138093735 /nfs/dbraw/zinc/09/37/35/1138093735.db2.gz BFCNBRAQDLYJRN-XJKSGUPXSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000886583824 1138099080 /nfs/dbraw/zinc/09/90/80/1138099080.db2.gz DACIBWLQHGLUBJ-NVXWUHKLSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cccc([C@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC000886712769 1138123052 /nfs/dbraw/zinc/12/30/52/1138123052.db2.gz LWIJGBSYDQTGNH-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)c(F)c1 ZINC000078357116 1138148921 /nfs/dbraw/zinc/14/89/21/1138148921.db2.gz IPULMHVZQZWBSI-UHFFFAOYSA-N 1 2 337.395 3.660 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000080601522 1138163490 /nfs/dbraw/zinc/16/34/90/1138163490.db2.gz HWKJGLJIBPYBEC-UHFFFAOYSA-N 1 2 346.862 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080913037 1138164798 /nfs/dbraw/zinc/16/47/98/1138164798.db2.gz JLCRWWUUSPFAOJ-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080913037 1138164799 /nfs/dbraw/zinc/16/47/99/1138164799.db2.gz JLCRWWUUSPFAOJ-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@@H]3CCc4c3cccc4F)n2)cc1 ZINC000886924079 1138172745 /nfs/dbraw/zinc/17/27/45/1138172745.db2.gz IABZHWJJKKPYLN-QGZVFWFLSA-N 1 2 339.370 3.661 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cnccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001137231850 1138180394 /nfs/dbraw/zinc/18/03/94/1138180394.db2.gz VJIMKSDLKWLUOW-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cnccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001137231850 1138180393 /nfs/dbraw/zinc/18/03/93/1138180393.db2.gz VJIMKSDLKWLUOW-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(OC(C)(C)C)c1 ZINC000084926086 1138182732 /nfs/dbraw/zinc/18/27/32/1138182732.db2.gz XDMGMZGRROQNRU-GOSISDBHSA-N 1 2 344.430 3.628 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+](C)[C@H]3CCSC3)cs2)cc1 ZINC000089936840 1138207776 /nfs/dbraw/zinc/20/77/76/1138207776.db2.gz DXRRPAFWNLHRFH-HNNXBMFYSA-N 1 2 334.510 3.968 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+](C)[C@H]3CCSC3)cs2)cc1 ZINC000089936840 1138207777 /nfs/dbraw/zinc/20/77/77/1138207777.db2.gz DXRRPAFWNLHRFH-HNNXBMFYSA-N 1 2 334.510 3.968 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)SCCn3cc[nH+]c3)n2)cc1F ZINC000090200319 1138209981 /nfs/dbraw/zinc/20/99/81/1138209981.db2.gz FVTSJGKGSKQCOH-GFCCVEGCSA-N 1 2 332.404 3.875 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000091413855 1138219340 /nfs/dbraw/zinc/21/93/40/1138219340.db2.gz NIKDOHQHBFVXQM-YVEFUNNKSA-N 1 2 345.393 3.890 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](c3cccs3)C2)cc1C ZINC000091592306 1138220129 /nfs/dbraw/zinc/22/01/29/1138220129.db2.gz UTSQYRGERHTRCZ-JSGCOSHPSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](c3cccs3)C2)cc1C ZINC000091592306 1138220130 /nfs/dbraw/zinc/22/01/30/1138220130.db2.gz UTSQYRGERHTRCZ-JSGCOSHPSA-N 1 2 335.425 3.571 20 0 EHADLO c1coc(-c2nnc(C[N@@H+]3Cc4ccccc4OC4(CCC4)C3)o2)c1 ZINC000887151475 1138223644 /nfs/dbraw/zinc/22/36/44/1138223644.db2.gz ZDEIHUFDCXYTFG-UHFFFAOYSA-N 1 2 337.379 3.647 20 0 EHADLO c1coc(-c2nnc(C[N@H+]3Cc4ccccc4OC4(CCC4)C3)o2)c1 ZINC000887151475 1138223647 /nfs/dbraw/zinc/22/36/47/1138223647.db2.gz ZDEIHUFDCXYTFG-UHFFFAOYSA-N 1 2 337.379 3.647 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092900441 1138232589 /nfs/dbraw/zinc/23/25/89/1138232589.db2.gz RVCSYHFKMDAJOA-LBPRGKRZSA-N 1 2 339.296 3.608 20 0 EHADLO CC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1c(F)cccc1F ZINC000092935720 1138233051 /nfs/dbraw/zinc/23/30/51/1138233051.db2.gz VBKDCGUWQXMNSP-UHFFFAOYSA-N 1 2 342.393 3.782 20 0 EHADLO CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)Cc1c(F)cccc1F ZINC000092935720 1138233052 /nfs/dbraw/zinc/23/30/52/1138233052.db2.gz VBKDCGUWQXMNSP-UHFFFAOYSA-N 1 2 342.393 3.782 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C(C)(C)C)c1 ZINC000093660543 1138239060 /nfs/dbraw/zinc/23/90/60/1138239060.db2.gz ZXAAGXGOIOKNLZ-UHFFFAOYSA-N 1 2 342.487 3.716 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C(C)(C)C)c1 ZINC000093660543 1138239061 /nfs/dbraw/zinc/23/90/61/1138239061.db2.gz ZXAAGXGOIOKNLZ-UHFFFAOYSA-N 1 2 342.487 3.716 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123578144 1138271505 /nfs/dbraw/zinc/27/15/05/1138271505.db2.gz BGPQVQCJUAYJKO-ZHALLVOQSA-N 1 2 325.456 3.795 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123628159 1138272764 /nfs/dbraw/zinc/27/27/64/1138272764.db2.gz AWPPKBUWPANGFP-KOLCDFICSA-N 1 2 344.267 3.975 20 0 EHADLO c1cc2c(c(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c1)CCCC2 ZINC000333378489 1138282971 /nfs/dbraw/zinc/28/29/71/1138282971.db2.gz ANVHMHYYBZNKSU-MAUKXSAKSA-N 1 2 339.439 3.541 20 0 EHADLO c1cc2c(c(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c1)CCCC2 ZINC000333378489 1138282973 /nfs/dbraw/zinc/28/29/73/1138282973.db2.gz ANVHMHYYBZNKSU-MAUKXSAKSA-N 1 2 339.439 3.541 20 0 EHADLO O=C(NC1CCCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333541271 1138302225 /nfs/dbraw/zinc/30/22/25/1138302225.db2.gz ZWRJTUPAESFOPO-UHFFFAOYSA-N 1 2 344.503 3.831 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000333553870 1138303306 /nfs/dbraw/zinc/30/33/06/1138303306.db2.gz VBNBREHCDPSCGI-IRXDYDNUSA-N 1 2 330.476 3.515 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(CC[C@H]3CCCC3(F)F)nn2)cc1 ZINC000887427029 1138321762 /nfs/dbraw/zinc/32/17/62/1138321762.db2.gz ZRUGJIOEZLSEOM-CQSZACIVSA-N 1 2 338.377 3.533 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000333729933 1138326576 /nfs/dbraw/zinc/32/65/76/1138326576.db2.gz KVXGEIGKBMLANQ-IYOUNJFTSA-N 1 2 339.439 3.638 20 0 EHADLO CC(C)c1ncsc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000333746837 1138328024 /nfs/dbraw/zinc/32/80/24/1138328024.db2.gz YWIJXTBBXQHARZ-CHWSQXEVSA-N 1 2 333.461 3.578 20 0 EHADLO C[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126373127 1138329974 /nfs/dbraw/zinc/32/99/74/1138329974.db2.gz PONNNYHYBSHGTI-FZMZJTMJSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126604100 1138333683 /nfs/dbraw/zinc/33/36/83/1138333683.db2.gz HQHRGPFJYRFKNP-AEFFLSMTSA-N 1 2 325.456 3.579 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000263691214 1138343971 /nfs/dbraw/zinc/34/39/71/1138343971.db2.gz JULBORMIOOKKRV-AWEZNQCLSA-N 1 2 329.469 3.978 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000263691214 1138343973 /nfs/dbraw/zinc/34/39/73/1138343973.db2.gz JULBORMIOOKKRV-AWEZNQCLSA-N 1 2 329.469 3.978 20 0 EHADLO CCC[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000263764054 1138359747 /nfs/dbraw/zinc/35/97/47/1138359747.db2.gz KROWWNXPDJFMKS-HNNXBMFYSA-N 1 2 339.361 3.950 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127644357 1138365590 /nfs/dbraw/zinc/36/55/90/1138365590.db2.gz DTCQWWODQTXVEH-ZDUSSCGKSA-N 1 2 347.846 3.684 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127644357 1138365594 /nfs/dbraw/zinc/36/55/94/1138365594.db2.gz DTCQWWODQTXVEH-ZDUSSCGKSA-N 1 2 347.846 3.684 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(C(C)(C)C)n2)c1C ZINC000263789584 1138366382 /nfs/dbraw/zinc/36/63/82/1138366382.db2.gz IIFJKVNKMWZTOD-UHFFFAOYSA-N 1 2 347.484 3.733 20 0 EHADLO CSc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127899211 1138374688 /nfs/dbraw/zinc/37/46/88/1138374688.db2.gz DTVYUNNTOKCURS-CJNGLKHVSA-N 1 2 330.457 3.720 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1Cl ZINC000127978373 1138377081 /nfs/dbraw/zinc/37/70/81/1138377081.db2.gz DAUJWVXISAIADC-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1Cl ZINC000127978373 1138377085 /nfs/dbraw/zinc/37/70/85/1138377085.db2.gz DAUJWVXISAIADC-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2C1 ZINC000263909581 1138390534 /nfs/dbraw/zinc/39/05/34/1138390534.db2.gz BERZDYYPMAQQAX-STQMWFEESA-N 1 2 329.469 3.616 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128654264 1138395136 /nfs/dbraw/zinc/39/51/36/1138395136.db2.gz RAHUWJJVSRMJJT-CJNGLKHVSA-N 1 2 346.406 3.536 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263948465 1138396595 /nfs/dbraw/zinc/39/65/95/1138396595.db2.gz KVLRRCBKAAAPPN-HNNXBMFYSA-N 1 2 346.862 3.585 20 0 EHADLO CCC[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000264048515 1138410836 /nfs/dbraw/zinc/41/08/36/1138410836.db2.gz HGIGEIUMRPMPJV-UHFFFAOYSA-N 1 2 329.341 3.997 20 0 EHADLO CCC[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000264048515 1138410838 /nfs/dbraw/zinc/41/08/38/1138410838.db2.gz HGIGEIUMRPMPJV-UHFFFAOYSA-N 1 2 329.341 3.997 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC2(C)C)C[C@H](C)O1 ZINC000264064412 1138413157 /nfs/dbraw/zinc/41/31/57/1138413157.db2.gz YANJDNHODBXAGH-HOTGVXAUSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccccc1Cl ZINC000336975318 1138439525 /nfs/dbraw/zinc/43/95/25/1138439525.db2.gz VGIXOYMLNZWBFZ-NSHDSACASA-N 1 2 341.835 3.733 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000264197694 1138440339 /nfs/dbraw/zinc/44/03/39/1138440339.db2.gz DLOAPPPCFDQTIP-IAGOWNOFSA-N 1 2 345.487 3.734 20 0 EHADLO CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000264235589 1138451063 /nfs/dbraw/zinc/45/10/63/1138451063.db2.gz IXEHQEAFMYRPFH-INIZCTEOSA-N 1 2 340.452 3.577 20 0 EHADLO COc1ccccc1C[C@H](C)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000337040994 1138454405 /nfs/dbraw/zinc/45/44/05/1138454405.db2.gz KHCLAGQULXORHE-AWEZNQCLSA-N 1 2 337.423 3.859 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000264266275 1138459139 /nfs/dbraw/zinc/45/91/39/1138459139.db2.gz SVWKRWRZXWCPJA-BRWVUGGUSA-N 1 2 345.487 3.590 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CSC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000264293927 1138465762 /nfs/dbraw/zinc/46/57/62/1138465762.db2.gz WILWZRWZBBHWFT-AWEZNQCLSA-N 1 2 336.501 3.550 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(C)n1 ZINC000337141366 1138477254 /nfs/dbraw/zinc/47/72/54/1138477254.db2.gz VNHLZWGAFKLVRQ-SJKOYZFVSA-N 1 2 327.428 3.675 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(C)n1 ZINC000337141366 1138477256 /nfs/dbraw/zinc/47/72/56/1138477256.db2.gz VNHLZWGAFKLVRQ-SJKOYZFVSA-N 1 2 327.428 3.675 20 0 EHADLO O=C([C@@H]1CC12CCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337164113 1138482934 /nfs/dbraw/zinc/48/29/34/1138482934.db2.gz WPSICYVBYCNKGK-RDJZCZTQSA-N 1 2 327.472 3.506 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(Cl)o1 ZINC000264371555 1138491918 /nfs/dbraw/zinc/49/19/18/1138491918.db2.gz HKCRLEVXFOZZKF-UHFFFAOYSA-N 1 2 333.819 3.638 20 0 EHADLO CC(C)n1nccc1C[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000337214477 1138497234 /nfs/dbraw/zinc/49/72/34/1138497234.db2.gz XOSPAMKSSQLAJN-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2cccs2)s1 ZINC000264462646 1138524771 /nfs/dbraw/zinc/52/47/71/1138524771.db2.gz VNSFAZHHAHKSOM-CMPLNLGQSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2cccs2)s1 ZINC000264462646 1138524775 /nfs/dbraw/zinc/52/47/75/1138524775.db2.gz VNSFAZHHAHKSOM-CMPLNLGQSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000337309471 1138527409 /nfs/dbraw/zinc/52/74/09/1138527409.db2.gz VOYLUZPHCKYHPS-UHFFFAOYSA-N 1 2 349.409 3.577 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cs1 ZINC000264473451 1138527429 /nfs/dbraw/zinc/52/74/29/1138527429.db2.gz RJYIOMRGQIIBIA-CQSZACIVSA-N 1 2 347.459 3.645 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cs1 ZINC000264473451 1138527432 /nfs/dbraw/zinc/52/74/32/1138527432.db2.gz RJYIOMRGQIIBIA-CQSZACIVSA-N 1 2 347.459 3.645 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000264540469 1138552793 /nfs/dbraw/zinc/55/27/93/1138552793.db2.gz MKOKGFBJLMTJKB-UHFFFAOYSA-N 1 2 333.382 3.523 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2ccc(Cl)cc2)CCC1 ZINC000337395659 1138555626 /nfs/dbraw/zinc/55/56/26/1138555626.db2.gz NCXGERRFLMNEDO-UHFFFAOYSA-N 1 2 327.819 3.551 20 0 EHADLO O=c1ccccn1C[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1 ZINC000337438495 1138569659 /nfs/dbraw/zinc/56/96/59/1138569659.db2.gz IQIYTLFVQFFUGJ-LJQANCHMSA-N 1 2 340.373 3.658 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337462549 1138576243 /nfs/dbraw/zinc/57/62/43/1138576243.db2.gz RRSZKDXFSDOVEC-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)nn1C ZINC000337505901 1138589256 /nfs/dbraw/zinc/58/92/56/1138589256.db2.gz FHWWIQLCALYLAG-CQSZACIVSA-N 1 2 340.402 3.906 20 0 EHADLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cc2ccccc2s1 ZINC000337518376 1138592815 /nfs/dbraw/zinc/59/28/15/1138592815.db2.gz SBVXLFUHZZBUED-ZDUSSCGKSA-N 1 2 340.452 3.769 20 0 EHADLO CC(C)c1nc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000264680538 1138602521 /nfs/dbraw/zinc/60/25/21/1138602521.db2.gz ACAYDSHZACZHES-UHFFFAOYSA-N 1 2 329.444 3.622 20 0 EHADLO CC(C)c1nc(C[N@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000264680538 1138602524 /nfs/dbraw/zinc/60/25/24/1138602524.db2.gz ACAYDSHZACZHES-UHFFFAOYSA-N 1 2 329.444 3.622 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264702750 1138610999 /nfs/dbraw/zinc/61/09/99/1138610999.db2.gz AVSLYSQIXKMZFK-ZWKOTPCHSA-N 1 2 338.455 3.635 20 0 EHADLO CC(C)COc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264746498 1138625248 /nfs/dbraw/zinc/62/52/48/1138625248.db2.gz QMELOBHVCYHUKN-HNNXBMFYSA-N 1 2 342.443 3.856 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000264775852 1138636152 /nfs/dbraw/zinc/63/61/52/1138636152.db2.gz XPDWCQCNHJPSMO-GFCCVEGCSA-N 1 2 348.834 3.873 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000337808402 1138673275 /nfs/dbraw/zinc/67/32/75/1138673275.db2.gz LIBYJFCELRYTFD-OAHLLOKOSA-N 1 2 328.391 3.546 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000337808402 1138673277 /nfs/dbraw/zinc/67/32/77/1138673277.db2.gz LIBYJFCELRYTFD-OAHLLOKOSA-N 1 2 328.391 3.546 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000338076405 1138743024 /nfs/dbraw/zinc/74/30/24/1138743024.db2.gz FAJFPUVTBYYMRL-UHFFFAOYSA-N 1 2 331.419 3.742 20 0 EHADLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000135425082 1138750122 /nfs/dbraw/zinc/75/01/22/1138750122.db2.gz TWIWGGYLYGNLOQ-UHFFFAOYSA-N 1 2 331.847 3.678 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000338101919 1138751012 /nfs/dbraw/zinc/75/10/12/1138751012.db2.gz YRPYWOUIUUWCRG-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000338111895 1138754695 /nfs/dbraw/zinc/75/46/95/1138754695.db2.gz JRRLXQBZQAHCPO-UHFFFAOYSA-N 1 2 339.370 3.630 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000338261577 1138804820 /nfs/dbraw/zinc/80/48/20/1138804820.db2.gz ODYAUNJFDIVDOY-KRWDZBQOSA-N 1 2 346.883 3.849 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)n1 ZINC000265310158 1138804905 /nfs/dbraw/zinc/80/49/05/1138804905.db2.gz DYRLIVUDAJOOMY-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)n1 ZINC000265310158 1138804906 /nfs/dbraw/zinc/80/49/06/1138804906.db2.gz DYRLIVUDAJOOMY-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2)n1 ZINC000338265461 1138807115 /nfs/dbraw/zinc/80/71/15/1138807115.db2.gz ZCJUWNRILGNEPN-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccncc1F ZINC000338364685 1138858311 /nfs/dbraw/zinc/85/83/11/1138858311.db2.gz DYRZQIUIKDEYCF-AWEZNQCLSA-N 1 2 336.414 3.746 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)cn2)[C@H](C)C2CC2)c(OC)c1 ZINC000338378909 1138872265 /nfs/dbraw/zinc/87/22/65/1138872265.db2.gz WBPYSRAKBWGLAV-OAHLLOKOSA-N 1 2 341.455 3.603 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)cn2)[C@H](C)C2CC2)c(OC)c1 ZINC000338378909 1138872273 /nfs/dbraw/zinc/87/22/73/1138872273.db2.gz WBPYSRAKBWGLAV-OAHLLOKOSA-N 1 2 341.455 3.603 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000142249336 1138959394 /nfs/dbraw/zinc/95/93/94/1138959394.db2.gz ZXVBAPHEEGPVJK-CQSZACIVSA-N 1 2 339.464 3.748 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150855994 1138987492 /nfs/dbraw/zinc/98/74/92/1138987492.db2.gz VREVOVAGBUDEHF-CVEARBPZSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000151674641 1139051585 /nfs/dbraw/zinc/05/15/85/1139051585.db2.gz KJNBASYIHYFHLC-GRDNDAEWSA-N 1 2 346.862 3.890 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000151677940 1139051686 /nfs/dbraw/zinc/05/16/86/1139051686.db2.gz SBLZKWIEAKEJDN-GRDNDAEWSA-N 1 2 346.862 3.890 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000152620916 1139100534 /nfs/dbraw/zinc/10/05/34/1139100534.db2.gz RWFRRZQVYMEKLF-UHFFFAOYSA-N 1 2 340.427 3.541 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001137250413 1139158378 /nfs/dbraw/zinc/15/83/78/1139158378.db2.gz YTFQKDVWZFDZBE-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001137250413 1139158380 /nfs/dbraw/zinc/15/83/80/1139158380.db2.gz YTFQKDVWZFDZBE-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCCC12CCC2 ZINC000889549230 1139230184 /nfs/dbraw/zinc/23/01/84/1139230184.db2.gz SZDBDHYYZSTPJK-WKILWMFISA-N 1 2 328.460 3.533 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173882110 1139385261 /nfs/dbraw/zinc/38/52/61/1139385261.db2.gz HHXRFSKHNROCDA-RHSMWYFYSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173882110 1139385268 /nfs/dbraw/zinc/38/52/68/1139385268.db2.gz HHXRFSKHNROCDA-RHSMWYFYSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1n[nH]cc1C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000174425456 1139419605 /nfs/dbraw/zinc/41/96/05/1139419605.db2.gz UJUNDVHVWPLBNT-UHFFFAOYSA-N 1 2 348.859 3.697 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)s1 ZINC000174669272 1139434647 /nfs/dbraw/zinc/43/46/47/1139434647.db2.gz YNDYVMAHFIMSSL-JTQLQIEISA-N 1 2 332.404 3.800 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)cc1 ZINC000174907225 1139449874 /nfs/dbraw/zinc/44/98/74/1139449874.db2.gz UNPHJRIEPYDBIP-UHFFFAOYSA-N 1 2 341.430 3.599 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC=CCC1 ZINC000174913396 1139450285 /nfs/dbraw/zinc/45/02/85/1139450285.db2.gz KDNPFNQFZSHCRS-SFHVURJKSA-N 1 2 327.472 3.503 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175255863 1139476770 /nfs/dbraw/zinc/47/67/70/1139476770.db2.gz XVGXHBWXZSAHDR-QWHCGFSZSA-N 1 2 333.457 3.528 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000175386250 1139487241 /nfs/dbraw/zinc/48/72/41/1139487241.db2.gz CIBRXQVTUFXJCZ-OWJWWREXSA-N 1 2 346.496 3.637 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000175386250 1139487246 /nfs/dbraw/zinc/48/72/46/1139487246.db2.gz CIBRXQVTUFXJCZ-OWJWWREXSA-N 1 2 346.496 3.637 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(OC(C)(C)C)cc3)sc2C1 ZINC000177009744 1139592005 /nfs/dbraw/zinc/59/20/05/1139592005.db2.gz CVTPMGDHKDPTJF-UHFFFAOYSA-N 1 2 345.468 3.561 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(OC(C)(C)C)cc3)sc2C1 ZINC000177009744 1139592010 /nfs/dbraw/zinc/59/20/10/1139592010.db2.gz CVTPMGDHKDPTJF-UHFFFAOYSA-N 1 2 345.468 3.561 20 0 EHADLO CCOc1c(Cl)cc(C[NH2+][C@@H](COC)c2ccco2)cc1OC ZINC000177575899 1139626970 /nfs/dbraw/zinc/62/69/70/1139626970.db2.gz FWTMOROSONOPEJ-AWEZNQCLSA-N 1 2 339.819 3.818 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000177774575 1139640900 /nfs/dbraw/zinc/64/09/00/1139640900.db2.gz VMKJTBJETYEEQL-KRWDZBQOSA-N 1 2 338.386 3.520 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000178687058 1139711861 /nfs/dbraw/zinc/71/18/61/1139711861.db2.gz HCBDXWAILKAJLG-GOSISDBHSA-N 1 2 334.485 3.518 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000178687058 1139711866 /nfs/dbraw/zinc/71/18/66/1139711866.db2.gz HCBDXWAILKAJLG-GOSISDBHSA-N 1 2 334.485 3.518 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000178723044 1139714148 /nfs/dbraw/zinc/71/41/48/1139714148.db2.gz HKQMLHCSHIUHAB-OAHLLOKOSA-N 1 2 341.455 3.647 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000178723044 1139714154 /nfs/dbraw/zinc/71/41/54/1139714154.db2.gz HKQMLHCSHIUHAB-OAHLLOKOSA-N 1 2 341.455 3.647 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc3ccccc3s2)C1=O ZINC000179305478 1139748468 /nfs/dbraw/zinc/74/84/68/1139748468.db2.gz OPXBNUVEOQVIDP-ZFWWWQNUSA-N 1 2 331.485 3.689 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc3ccccc3s2)C1=O ZINC000179305478 1139748475 /nfs/dbraw/zinc/74/84/75/1139748475.db2.gz OPXBNUVEOQVIDP-ZFWWWQNUSA-N 1 2 331.485 3.689 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179395857 1139754170 /nfs/dbraw/zinc/75/41/70/1139754170.db2.gz WCGSISRIWOGHDX-WYMLVPIESA-N 1 2 329.831 3.804 20 0 EHADLO CC(C)OC(=O)NCc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000179430404 1139757674 /nfs/dbraw/zinc/75/76/74/1139757674.db2.gz AQFINAAXZMRXRL-UHFFFAOYSA-N 1 2 338.411 3.581 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000179598962 1139767803 /nfs/dbraw/zinc/76/78/03/1139767803.db2.gz JYBVVYKSOYEWCQ-NSHDSACASA-N 1 2 325.359 3.864 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000179752589 1139780356 /nfs/dbraw/zinc/78/03/56/1139780356.db2.gz IKPZEDWBYBAPIE-AWEZNQCLSA-N 1 2 327.384 3.969 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000180249687 1139820936 /nfs/dbraw/zinc/82/09/36/1139820936.db2.gz XGYJKFHRAXXXGL-OAHLLOKOSA-N 1 2 343.349 3.722 20 0 EHADLO COCc1noc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C2CC2)n1 ZINC000180270252 1139823326 /nfs/dbraw/zinc/82/33/26/1139823326.db2.gz LJDIEXRVXOCAAW-IBGZPJMESA-N 1 2 329.444 3.655 20 0 EHADLO CN(C(=O)C[N@H+](Cc1cccnc1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000180283580 1139824614 /nfs/dbraw/zinc/82/46/14/1139824614.db2.gz ODMUTSHMICRWGN-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1cccnc1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000180283580 1139824617 /nfs/dbraw/zinc/82/46/17/1139824617.db2.gz ODMUTSHMICRWGN-NRFANRHFSA-N 1 2 349.478 3.582 20 0 EHADLO Cc1cc(N2CCC[C@H]2CC(=O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000180342922 1139827816 /nfs/dbraw/zinc/82/78/16/1139827816.db2.gz NMIPJHUAWLGHOR-AWEZNQCLSA-N 1 2 327.453 3.966 20 0 EHADLO COc1ccc(Cl)cc1-c1nc(SCCCn2cc[nH+]c2)n[nH]1 ZINC000180430662 1139834738 /nfs/dbraw/zinc/83/47/38/1139834738.db2.gz ZKGZPUIPPCSOQR-UHFFFAOYSA-N 1 2 349.847 3.513 20 0 EHADLO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000180569127 1139846181 /nfs/dbraw/zinc/84/61/81/1139846181.db2.gz ZUAVLKJICVAVHN-CQSZACIVSA-N 1 2 338.308 3.652 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000181137741 1139887467 /nfs/dbraw/zinc/88/74/67/1139887467.db2.gz LGGRJCZRKAPVJW-ZLOXQWCVSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000181137741 1139887472 /nfs/dbraw/zinc/88/74/72/1139887472.db2.gz LGGRJCZRKAPVJW-ZLOXQWCVSA-N 1 2 328.437 3.758 20 0 EHADLO c1nc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)nn1-c1ccccc1 ZINC000181217765 1139893692 /nfs/dbraw/zinc/89/36/92/1139893692.db2.gz QQFQMNGEPVCTET-XLIONFOSSA-N 1 2 348.450 3.525 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181232049 1139894895 /nfs/dbraw/zinc/89/48/95/1139894895.db2.gz UPFOHTVMDYHQOB-ZBFHGGJFSA-N 1 2 329.444 3.625 20 0 EHADLO CN(C(=O)C[N@H+](Cc1ccccn1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000181390689 1139903595 /nfs/dbraw/zinc/90/35/95/1139903595.db2.gz KNZJZVVTUZKZHA-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1ccccn1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000181390689 1139903597 /nfs/dbraw/zinc/90/35/97/1139903597.db2.gz KNZJZVVTUZKZHA-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)Cn1cc[nH+]c1 ZINC000181434730 1139906594 /nfs/dbraw/zinc/90/65/94/1139906594.db2.gz SVKJJDHZXRQEFH-JTQLQIEISA-N 1 2 345.752 3.621 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(C(=O)OC)ccc1Cl)c1nccs1 ZINC000182008875 1139944840 /nfs/dbraw/zinc/94/48/40/1139944840.db2.gz PXIBBHTYXXBIOR-MRXNPFEDSA-N 1 2 338.860 3.998 20 0 EHADLO CC[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1nccn1C ZINC000182412214 1139970720 /nfs/dbraw/zinc/97/07/20/1139970720.db2.gz NISPZZSGULZPTA-KRWDZBQOSA-N 1 2 340.402 3.987 20 0 EHADLO COCCC[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182496491 1139976345 /nfs/dbraw/zinc/97/63/45/1139976345.db2.gz FBFHYMRXZGZLSC-HNNXBMFYSA-N 1 2 341.455 3.888 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)n1 ZINC000182856570 1139997862 /nfs/dbraw/zinc/99/78/62/1139997862.db2.gz OHRCIGLEFVMNQT-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)n1 ZINC000182856570 1139997865 /nfs/dbraw/zinc/99/78/65/1139997865.db2.gz OHRCIGLEFVMNQT-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)cs1 ZINC000183571194 1140047164 /nfs/dbraw/zinc/04/71/64/1140047164.db2.gz ZAVYHYHQTYGTTQ-STQMWFEESA-N 1 2 348.468 3.669 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000183565988 1140047309 /nfs/dbraw/zinc/04/73/09/1140047309.db2.gz AHGMNOIQQBMYAX-OAHLLOKOSA-N 1 2 334.416 3.618 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184170738 1140085494 /nfs/dbraw/zinc/08/54/94/1140085494.db2.gz LSIVNJYOEMQHDF-GOSISDBHSA-N 1 2 330.428 3.742 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@H](COCC(C)C)c2ccco2)c1C ZINC000184202789 1140087611 /nfs/dbraw/zinc/08/76/11/1140087611.db2.gz OYVSATAVXGSFHK-QGZVFWFLSA-N 1 2 332.444 3.804 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(C)cccc2F)c1C ZINC000184457083 1140103368 /nfs/dbraw/zinc/10/33/68/1140103368.db2.gz HBVUTSAVLPNBSN-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO C[C@H](c1cnccn1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000184581222 1140109632 /nfs/dbraw/zinc/10/96/32/1140109632.db2.gz NGXRXKZMHOWUHJ-LSDHHAIUSA-N 1 2 330.863 3.570 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cs1 ZINC000184688701 1140115402 /nfs/dbraw/zinc/11/54/02/1140115402.db2.gz IQOBALZONANURU-DJJJIMSYSA-N 1 2 343.496 3.624 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2nc3ccccc3s2)cs1 ZINC000184700234 1140116338 /nfs/dbraw/zinc/11/63/38/1140116338.db2.gz PYPCYUDVJCKHPP-JTQLQIEISA-N 1 2 346.481 3.605 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(C)o1 ZINC000184731087 1140117547 /nfs/dbraw/zinc/11/75/47/1140117547.db2.gz ZJMKCKRDODWANP-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc2cc(Cl)ccc2o1 ZINC000184843605 1140122024 /nfs/dbraw/zinc/12/20/24/1140122024.db2.gz ITUABYWWZCZUSJ-LLVKDONJSA-N 1 2 330.819 3.865 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184836909 1140122034 /nfs/dbraw/zinc/12/20/34/1140122034.db2.gz SYDWAWBVYLJFEM-GOSISDBHSA-N 1 2 345.439 3.921 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)o1 ZINC000184839598 1140122178 /nfs/dbraw/zinc/12/21/78/1140122178.db2.gz PIHJGBHIPCNGKA-NVXWUHKLSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000184989924 1140129546 /nfs/dbraw/zinc/12/95/46/1140129546.db2.gz GIGLXMOISXFVPY-HNNXBMFYSA-N 1 2 331.485 3.539 20 0 EHADLO CC(=O)Nc1cccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000185447351 1140150628 /nfs/dbraw/zinc/15/06/28/1140150628.db2.gz LDGGENGFQBLVFO-OAHLLOKOSA-N 1 2 343.496 3.585 20 0 EHADLO FC(F)(F)COCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185609549 1140158581 /nfs/dbraw/zinc/15/85/81/1140158581.db2.gz MZPXCUMDPXDPNT-CQSZACIVSA-N 1 2 337.769 3.682 20 0 EHADLO FC(F)(F)COCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185609549 1140158583 /nfs/dbraw/zinc/15/85/83/1140158583.db2.gz MZPXCUMDPXDPNT-CQSZACIVSA-N 1 2 337.769 3.682 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669957 1140162001 /nfs/dbraw/zinc/16/20/01/1140162001.db2.gz UITUOAGNHQAILX-HIFRSBDPSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669957 1140162005 /nfs/dbraw/zinc/16/20/05/1140162005.db2.gz UITUOAGNHQAILX-HIFRSBDPSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669992 1140162250 /nfs/dbraw/zinc/16/22/50/1140162250.db2.gz UITUOAGNHQAILX-ZFWWWQNUSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000185669992 1140162253 /nfs/dbraw/zinc/16/22/53/1140162253.db2.gz UITUOAGNHQAILX-ZFWWWQNUSA-N 1 2 344.484 3.719 20 0 EHADLO C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185930460 1140178116 /nfs/dbraw/zinc/17/81/16/1140178116.db2.gz BNGUCRYAMZQEJJ-JKSUJKDBSA-N 1 2 327.428 3.727 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc21 ZINC000186424223 1140203297 /nfs/dbraw/zinc/20/32/97/1140203297.db2.gz ZPVSRJGBMROVHN-SFHVURJKSA-N 1 2 348.450 3.896 20 0 EHADLO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000188934561 1140314415 /nfs/dbraw/zinc/31/44/15/1140314415.db2.gz YWWQGWGEYUQXPR-SNVBAGLBSA-N 1 2 329.297 3.650 20 0 EHADLO Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000188934561 1140314422 /nfs/dbraw/zinc/31/44/22/1140314422.db2.gz YWWQGWGEYUQXPR-SNVBAGLBSA-N 1 2 329.297 3.650 20 0 EHADLO FC(F)C(F)(F)COCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000189808693 1140365184 /nfs/dbraw/zinc/36/51/84/1140365184.db2.gz UMOSCORAVIFJDO-UHFFFAOYSA-N 1 2 346.324 3.594 20 0 EHADLO FC(F)C(F)(F)COCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000189808693 1140365187 /nfs/dbraw/zinc/36/51/87/1140365187.db2.gz UMOSCORAVIFJDO-UHFFFAOYSA-N 1 2 346.324 3.594 20 0 EHADLO Cn1ccc2cccc(NC(=O)NCCCCNc3cccc[nH+]3)c21 ZINC000190076246 1140384558 /nfs/dbraw/zinc/38/45/58/1140384558.db2.gz KSSCTVYATZBBLO-UHFFFAOYSA-N 1 2 337.427 3.587 20 0 EHADLO CCc1nnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190357787 1140400910 /nfs/dbraw/zinc/40/09/10/1140400910.db2.gz ZGHHOJBNZJDIHO-SNVBAGLBSA-N 1 2 344.242 3.838 20 0 EHADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190357787 1140400915 /nfs/dbraw/zinc/40/09/15/1140400915.db2.gz ZGHHOJBNZJDIHO-SNVBAGLBSA-N 1 2 344.242 3.838 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C[C@H]1C ZINC000191839762 1140489271 /nfs/dbraw/zinc/48/92/71/1140489271.db2.gz QZEARMHPOCLRCX-CJNGLKHVSA-N 1 2 345.468 3.518 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C[C@H]1C ZINC000191839762 1140489273 /nfs/dbraw/zinc/48/92/73/1140489273.db2.gz QZEARMHPOCLRCX-CJNGLKHVSA-N 1 2 345.468 3.518 20 0 EHADLO CCCCc1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192040483 1140498746 /nfs/dbraw/zinc/49/87/46/1140498746.db2.gz FNZORFVKHBAGRB-WMLDXEAASA-N 1 2 335.835 3.685 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000192064994 1140500712 /nfs/dbraw/zinc/50/07/12/1140500712.db2.gz GIELVDSQFDIKJA-COLVAYQJSA-N 1 2 333.819 3.781 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC000192250021 1140513793 /nfs/dbraw/zinc/51/37/93/1140513793.db2.gz OXPFDSPIWIOUOA-UHFFFAOYSA-N 1 2 331.435 3.754 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2s1 ZINC000192945110 1140556181 /nfs/dbraw/zinc/55/61/81/1140556181.db2.gz ZAUQACHKOFPNAG-UHFFFAOYSA-N 1 2 328.441 3.725 20 0 EHADLO C/C(=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000266137320 1140646196 /nfs/dbraw/zinc/64/61/96/1140646196.db2.gz ZJFOWOODUYVNMZ-SRXBQZRASA-N 1 2 337.345 3.510 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3SCCc4sccc43)ccc2[nH+]1 ZINC000266283386 1140663043 /nfs/dbraw/zinc/66/30/43/1140663043.db2.gz LOOPOGFWFSDSAL-OAHLLOKOSA-N 1 2 329.450 3.673 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266301161 1140665546 /nfs/dbraw/zinc/66/55/46/1140665546.db2.gz RARIXYUKUSBTJF-ZBFHGGJFSA-N 1 2 329.419 3.524 20 0 EHADLO Cc1nc(C2([NH2+]C[C@H](O)c3cccc(Cl)c3)CCCCC2)no1 ZINC000266679735 1140715104 /nfs/dbraw/zinc/71/51/04/1140715104.db2.gz RVQGYUXZZSQPGB-HNNXBMFYSA-N 1 2 335.835 3.514 20 0 EHADLO CC(C)[N@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccco1 ZINC000266765447 1140722684 /nfs/dbraw/zinc/72/26/84/1140722684.db2.gz URVBGPCYKWNEHE-UHFFFAOYSA-N 1 2 343.452 3.763 20 0 EHADLO CC(C)[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccco1 ZINC000266765447 1140722689 /nfs/dbraw/zinc/72/26/89/1140722689.db2.gz URVBGPCYKWNEHE-UHFFFAOYSA-N 1 2 343.452 3.763 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000266917515 1140737548 /nfs/dbraw/zinc/73/75/48/1140737548.db2.gz JIKPHJOXHHHUCN-UHFFFAOYSA-N 1 2 341.455 3.523 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@H]1c1cccc(F)c1 ZINC000266925914 1140739273 /nfs/dbraw/zinc/73/92/73/1140739273.db2.gz KAWQUFBPCCRVKD-AUUYWEPGSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@H]1c1cccc(F)c1 ZINC000266925914 1140739279 /nfs/dbraw/zinc/73/92/79/1140739279.db2.gz KAWQUFBPCCRVKD-AUUYWEPGSA-N 1 2 328.435 3.727 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267255761 1140772044 /nfs/dbraw/zinc/77/20/44/1140772044.db2.gz CAHJZAPSTNWNND-IRXDYDNUSA-N 1 2 347.503 3.980 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(Br)cn2)s1 ZINC000267480800 1140795976 /nfs/dbraw/zinc/79/59/76/1140795976.db2.gz AAHIJATYZCCMSB-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267334607 1140779931 /nfs/dbraw/zinc/77/99/31/1140779931.db2.gz JSKDNXPYPHZYKT-GOSISDBHSA-N 1 2 342.487 3.623 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267334607 1140779935 /nfs/dbraw/zinc/77/99/35/1140779935.db2.gz JSKDNXPYPHZYKT-GOSISDBHSA-N 1 2 342.487 3.623 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cs1 ZINC000268049843 1140874339 /nfs/dbraw/zinc/87/43/39/1140874339.db2.gz SAUPMRJKCFOVQE-NSHDSACASA-N 1 2 346.431 3.670 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000268390635 1140932672 /nfs/dbraw/zinc/93/26/72/1140932672.db2.gz QJNMESYXJOYJSC-PKOBYXMFSA-N 1 2 337.467 3.641 20 0 EHADLO CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCc2ccccc21 ZINC000268583640 1140958928 /nfs/dbraw/zinc/95/89/28/1140958928.db2.gz QWOHWMZGLJJCAF-LJQANCHMSA-N 1 2 348.450 3.943 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000268986007 1141039435 /nfs/dbraw/zinc/03/94/35/1141039435.db2.gz LOSHGXPVJYNEQF-IBGZPJMESA-N 1 2 325.456 3.972 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000269335487 1141094573 /nfs/dbraw/zinc/09/45/73/1141094573.db2.gz BJJKKFTUMYCDTL-UHFFFAOYSA-N 1 2 341.842 3.609 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000269335487 1141094580 /nfs/dbraw/zinc/09/45/80/1141094580.db2.gz BJJKKFTUMYCDTL-UHFFFAOYSA-N 1 2 341.842 3.609 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccncc1 ZINC000271054825 1141301373 /nfs/dbraw/zinc/30/13/73/1141301373.db2.gz YSSWUGCSTVJYCU-GOSISDBHSA-N 1 2 345.512 3.869 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccncc1 ZINC000271054825 1141301379 /nfs/dbraw/zinc/30/13/79/1141301379.db2.gz YSSWUGCSTVJYCU-GOSISDBHSA-N 1 2 345.512 3.869 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000271167937 1141317516 /nfs/dbraw/zinc/31/75/16/1141317516.db2.gz COUPKVOEEOBTGF-QGZVFWFLSA-N 1 2 333.501 3.890 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000271167937 1141317527 /nfs/dbraw/zinc/31/75/27/1141317527.db2.gz COUPKVOEEOBTGF-QGZVFWFLSA-N 1 2 333.501 3.890 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(CSC(F)F)o3)C2)n[nH]1 ZINC000271275082 1141338115 /nfs/dbraw/zinc/33/81/15/1141338115.db2.gz KPZNGWMXJPWYLV-NSHDSACASA-N 1 2 342.415 3.542 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)n[nH]1 ZINC000271275082 1141338123 /nfs/dbraw/zinc/33/81/23/1141338123.db2.gz KPZNGWMXJPWYLV-NSHDSACASA-N 1 2 342.415 3.542 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000271360272 1141351310 /nfs/dbraw/zinc/35/13/10/1141351310.db2.gz QWFRJPNFSNEXDH-CYBMUJFWSA-N 1 2 345.516 3.816 20 0 EHADLO Cc1cc(C)c(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000271384501 1141355292 /nfs/dbraw/zinc/35/52/92/1141355292.db2.gz PKNXRVIDKAVOHC-UHFFFAOYSA-N 1 2 347.462 3.716 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 ZINC000271470447 1141376018 /nfs/dbraw/zinc/37/60/18/1141376018.db2.gz LSZHHDFMHNJEDN-WBMJQRKESA-N 1 2 349.377 3.510 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000271583142 1141402162 /nfs/dbraw/zinc/40/21/62/1141402162.db2.gz SDIPJRUPSOIXSM-HZPDHXFCSA-N 1 2 342.443 3.757 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000271583146 1141402413 /nfs/dbraw/zinc/40/24/13/1141402413.db2.gz SDIPJRUPSOIXSM-JKSUJKDBSA-N 1 2 342.443 3.757 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000339119281 1141502390 /nfs/dbraw/zinc/50/23/90/1141502390.db2.gz FAXGDTKIHWTVEA-UHFFFAOYSA-N 1 2 333.313 3.843 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000339163583 1141514724 /nfs/dbraw/zinc/51/47/24/1141514724.db2.gz PYNPGKIFUHJFFL-RDTXWAMCSA-N 1 2 337.467 3.769 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000339208954 1141528535 /nfs/dbraw/zinc/52/85/35/1141528535.db2.gz SBYABXVGJJEHRO-OAHLLOKOSA-N 1 2 329.419 3.844 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572562 1141553527 /nfs/dbraw/zinc/55/35/27/1141553527.db2.gz CGFXJAHOLQAHQQ-SJORKVTESA-N 1 2 339.483 3.650 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572562 1141553530 /nfs/dbraw/zinc/55/35/30/1141553530.db2.gz CGFXJAHOLQAHQQ-SJORKVTESA-N 1 2 339.483 3.650 20 0 EHADLO O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283135442 1141559050 /nfs/dbraw/zinc/55/90/50/1141559050.db2.gz IWDDOIIXPSQQAL-AWEZNQCLSA-N 1 2 338.436 3.553 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348844739 1141594931 /nfs/dbraw/zinc/59/49/31/1141594931.db2.gz USWPPBHJDYKTQU-GFCCVEGCSA-N 1 2 348.368 3.514 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348844739 1141594932 /nfs/dbraw/zinc/59/49/32/1141594932.db2.gz USWPPBHJDYKTQU-GFCCVEGCSA-N 1 2 348.368 3.514 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000283319623 1141597008 /nfs/dbraw/zinc/59/70/08/1141597008.db2.gz ZNCLATSTSJJYSQ-OAHLLOKOSA-N 1 2 348.878 3.836 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2cccs2)s1)Cc1cccnc1 ZINC000348967776 1141617288 /nfs/dbraw/zinc/61/72/88/1141617288.db2.gz QNHNUMGHVXTXDJ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1cccnc1 ZINC000348967776 1141617293 /nfs/dbraw/zinc/61/72/93/1141617293.db2.gz QNHNUMGHVXTXDJ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO CC(C)Cc1ncc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000349009172 1141621500 /nfs/dbraw/zinc/62/15/00/1141621500.db2.gz JBJNNQDDHJIKQH-QGZVFWFLSA-N 1 2 346.862 3.570 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1OCC ZINC000349028640 1141624469 /nfs/dbraw/zinc/62/44/69/1141624469.db2.gz JFSCXVAYCXJSFB-LJQANCHMSA-N 1 2 339.451 3.561 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1OCC ZINC000349028640 1141624473 /nfs/dbraw/zinc/62/44/73/1141624473.db2.gz JFSCXVAYCXJSFB-LJQANCHMSA-N 1 2 339.451 3.561 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000349033009 1141624661 /nfs/dbraw/zinc/62/46/61/1141624661.db2.gz GGZLXMMZOSEBKM-HNNXBMFYSA-N 1 2 343.496 3.667 20 0 EHADLO COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cc1 ZINC000072058567 216000363 /nfs/dbraw/zinc/00/03/63/216000363.db2.gz DUEPRLOSHPXTET-UHFFFAOYSA-N 1 2 349.390 3.869 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000023822711 212396325 /nfs/dbraw/zinc/39/63/25/212396325.db2.gz GUKGBJAYJXCMOK-OAHLLOKOSA-N 1 2 328.843 3.859 20 0 EHADLO CCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000022289409 212288905 /nfs/dbraw/zinc/28/89/05/212288905.db2.gz HOUVQNPQRIBTGC-UHFFFAOYSA-N 1 2 329.469 3.944 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1c(F)cccc1F ZINC000078296633 217038330 /nfs/dbraw/zinc/03/83/30/217038330.db2.gz AKJOUKNNTROPGC-UHFFFAOYSA-N 1 2 337.395 3.660 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026340 217273107 /nfs/dbraw/zinc/27/31/07/217273107.db2.gz IALMHOVMOBKHQO-CQSZACIVSA-N 1 2 334.379 3.747 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026340 217273110 /nfs/dbraw/zinc/27/31/10/217273110.db2.gz IALMHOVMOBKHQO-CQSZACIVSA-N 1 2 334.379 3.747 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000014196309 135705126 /nfs/dbraw/zinc/70/51/26/135705126.db2.gz BHAFXPWSYVYSHR-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccccc1F ZINC000123277099 222247390 /nfs/dbraw/zinc/24/73/90/222247390.db2.gz YNHRWCVVSZIVPB-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccccc1F ZINC000123277099 222247392 /nfs/dbraw/zinc/24/73/92/222247392.db2.gz YNHRWCVVSZIVPB-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CCc1cc(NCC2(c3cc(C)ccc3OC)CCOCC2)nc[nH+]1 ZINC000603382103 479366432 /nfs/dbraw/zinc/36/64/32/479366432.db2.gz TVQBFJQVXVMWJH-UHFFFAOYSA-N 1 2 341.455 3.516 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cs1 ZINC000041010650 526894234 /nfs/dbraw/zinc/89/42/34/526894234.db2.gz BLGRPAXCUNZUHI-ZDUSSCGKSA-N 1 2 339.258 3.827 20 0 EHADLO Cn1ccnc1-c1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000097080863 563967218 /nfs/dbraw/zinc/96/72/18/563967218.db2.gz IPBZTDQQUGFUON-UHFFFAOYSA-N 1 2 333.439 3.563 20 0 EHADLO COc1cccc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c1OC ZINC000275523107 564009140 /nfs/dbraw/zinc/00/91/40/564009140.db2.gz LFCOJJGNWMKNLI-KRWDZBQOSA-N 1 2 341.455 3.643 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1OC ZINC000275523107 564009141 /nfs/dbraw/zinc/00/91/41/564009141.db2.gz LFCOJJGNWMKNLI-KRWDZBQOSA-N 1 2 341.455 3.643 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1OC ZINC000275523107 564009142 /nfs/dbraw/zinc/00/91/42/564009142.db2.gz LFCOJJGNWMKNLI-KRWDZBQOSA-N 1 2 341.455 3.643 20 0 EHADLO O=C([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001595244967 949510539 /nfs/dbraw/zinc/51/05/39/949510539.db2.gz JKCPOOFLPIKOKF-VQTJNVASSA-N 1 2 347.418 3.600 20 0 EHADLO COc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccc2c1 ZINC000620058807 1125462925 /nfs/dbraw/zinc/46/29/25/1125462925.db2.gz GAAAZTGUKYGZOW-UHFFFAOYSA-N 1 2 348.381 3.602 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)cs1 ZINC000620131159 1125480320 /nfs/dbraw/zinc/48/03/20/1125480320.db2.gz MRXKTXMSXVAPGC-KRWDZBQOSA-N 1 2 348.512 3.502 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)cs1 ZINC000620131159 1125480324 /nfs/dbraw/zinc/48/03/24/1125480324.db2.gz MRXKTXMSXVAPGC-KRWDZBQOSA-N 1 2 348.512 3.502 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2conc2C)c2ccccc2OC)cc1 ZINC000339317260 1014210401 /nfs/dbraw/zinc/21/04/01/1014210401.db2.gz MHLQKRPTRZKACU-HXUWFJFHSA-N 1 2 338.407 3.879 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)cc1F ZINC000090232758 1014228726 /nfs/dbraw/zinc/22/87/26/1014228726.db2.gz DVJDMECHGFSJND-CYBMUJFWSA-N 1 2 342.443 3.979 20 0 EHADLO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCCO2 ZINC000090232780 1014229813 /nfs/dbraw/zinc/22/98/13/1014229813.db2.gz OBRZECUYJQKEMK-FQEVSTJZSA-N 1 2 348.450 3.888 20 0 EHADLO O=C(NCc1ccc(C2CCCCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000579715122 1014244110 /nfs/dbraw/zinc/24/41/10/1014244110.db2.gz PXDPKJKQLAOSNP-IBGZPJMESA-N 1 2 337.467 3.810 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000683097566 1014293211 /nfs/dbraw/zinc/29/32/11/1014293211.db2.gz IRXFQJDTYYACAB-JTQLQIEISA-N 1 2 332.354 3.606 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000274600844 1014300712 /nfs/dbraw/zinc/30/07/12/1014300712.db2.gz MVRJQOJZODYUQU-HNNXBMFYSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1Cl ZINC000683112462 1014346928 /nfs/dbraw/zinc/34/69/28/1014346928.db2.gz RROFLAOWBRRBHY-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc2cnncc21)c1cccc(Cl)c1 ZINC000683131722 1014436946 /nfs/dbraw/zinc/43/69/46/1014436946.db2.gz PHIOMEPELACKIY-KRWDZBQOSA-N 1 2 340.814 3.525 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1O ZINC000459417103 1032093334 /nfs/dbraw/zinc/09/33/34/1032093334.db2.gz BVCCJTRQCABKSO-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1O ZINC000459417103 1032093352 /nfs/dbraw/zinc/09/33/52/1032093352.db2.gz BVCCJTRQCABKSO-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC[C@H]1CCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497466 1032093497 /nfs/dbraw/zinc/09/34/97/1032093497.db2.gz KXJKTXUYYQNKNW-WMZOPIPTSA-N 1 2 341.455 3.863 20 0 EHADLO CC1(c2ccccc2)CC[NH+](Cc2noc(C3CCOCC3)n2)CC1 ZINC000153913063 1014543418 /nfs/dbraw/zinc/54/34/18/1014543418.db2.gz SSEFPPFBLMINOT-UHFFFAOYSA-N 1 2 341.455 3.517 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000355813045 1014620427 /nfs/dbraw/zinc/62/04/27/1014620427.db2.gz NNCZMPKUQMKHET-NRFANRHFSA-N 1 2 331.419 3.517 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000355813045 1014620436 /nfs/dbraw/zinc/62/04/36/1014620436.db2.gz NNCZMPKUQMKHET-NRFANRHFSA-N 1 2 331.419 3.517 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547643350 1014629727 /nfs/dbraw/zinc/62/97/27/1014629727.db2.gz BGQVHLSWYYYQFB-CYBMUJFWSA-N 1 2 334.803 3.631 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547643350 1014629729 /nfs/dbraw/zinc/62/97/29/1014629729.db2.gz BGQVHLSWYYYQFB-CYBMUJFWSA-N 1 2 334.803 3.631 20 0 EHADLO CCS[C@H](C)c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000153947479 1014631137 /nfs/dbraw/zinc/63/11/37/1014631137.db2.gz IOVZVJSPJQZDLD-GFCCVEGCSA-N 1 2 330.413 3.648 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000654948506 1014650598 /nfs/dbraw/zinc/65/05/98/1014650598.db2.gz RXMKOVJQCVYVAJ-CQSZACIVSA-N 1 2 347.846 3.801 20 0 EHADLO CC[C@@]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)(C(=O)[O-])c1ccccc1 ZINC001595298810 980421060 /nfs/dbraw/zinc/42/10/60/980421060.db2.gz DJTWSZMVIGVGLX-NRFANRHFSA-N 1 2 349.434 3.660 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ncoc1C1CC1 ZINC000339550112 1014819151 /nfs/dbraw/zinc/81/91/51/1014819151.db2.gz ZGYAZSVVKFTCQX-UHFFFAOYSA-N 1 2 328.759 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650107361 1014856733 /nfs/dbraw/zinc/85/67/33/1014856733.db2.gz XFRQIWJQXWMVOC-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000650107361 1014856744 /nfs/dbraw/zinc/85/67/44/1014856744.db2.gz XFRQIWJQXWMVOC-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)cc1F ZINC000154055434 1014931967 /nfs/dbraw/zinc/93/19/67/1014931967.db2.gz FHOLOJJMSCUFHP-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)cc1F ZINC000154055434 1014931974 /nfs/dbraw/zinc/93/19/74/1014931974.db2.gz FHOLOJJMSCUFHP-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc(OC)c1OC ZINC000536672176 1032106778 /nfs/dbraw/zinc/10/67/78/1032106778.db2.gz CFZDVQBUMOFEKH-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO COc1cc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)cc(OC)c1OC ZINC000536672176 1032106786 /nfs/dbraw/zinc/10/67/86/1032106786.db2.gz CFZDVQBUMOFEKH-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000536672976 1032108492 /nfs/dbraw/zinc/10/84/92/1032108492.db2.gz FNNKIVSDMXRQSP-QGZVFWFLSA-N 1 2 332.831 3.733 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000536672976 1032108498 /nfs/dbraw/zinc/10/84/98/1032108498.db2.gz FNNKIVSDMXRQSP-QGZVFWFLSA-N 1 2 332.831 3.733 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccc(F)c2)CCCCC1 ZINC000063255713 1015188547 /nfs/dbraw/zinc/18/85/47/1015188547.db2.gz BVKPGKMPRZXISC-UHFFFAOYSA-N 1 2 339.418 3.816 20 0 EHADLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000024053613 1015221262 /nfs/dbraw/zinc/22/12/62/1015221262.db2.gz GFBVRQVIWFORLB-GFCCVEGCSA-N 1 2 342.830 3.861 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655229103 1015247707 /nfs/dbraw/zinc/24/77/07/1015247707.db2.gz GGBHLNVUTQSMTD-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccccc1OC(F)F ZINC000471175166 1015265345 /nfs/dbraw/zinc/26/53/45/1015265345.db2.gz AGOMOSLAENEJDJ-HNNXBMFYSA-N 1 2 332.350 3.674 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1ccccc1OC(F)F ZINC000471175166 1015265351 /nfs/dbraw/zinc/26/53/51/1015265351.db2.gz AGOMOSLAENEJDJ-HNNXBMFYSA-N 1 2 332.350 3.674 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C(C)=O)no2)C(C)(C)C)c(OC)c1 ZINC000579855122 1015284795 /nfs/dbraw/zinc/28/47/95/1015284795.db2.gz VDYSYECSJBHWIJ-UHFFFAOYSA-N 1 2 346.427 3.695 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C(C)=O)no2)C(C)(C)C)c(OC)c1 ZINC000579855122 1015284799 /nfs/dbraw/zinc/28/47/99/1015284799.db2.gz VDYSYECSJBHWIJ-UHFFFAOYSA-N 1 2 346.427 3.695 20 0 EHADLO S=c1scc(-c2ccccc2)n1C[NH+]1CCC2(CC1)OCCO2 ZINC000083104884 1015373340 /nfs/dbraw/zinc/37/33/40/1015373340.db2.gz OWHSHYLEKFJHDZ-UHFFFAOYSA-N 1 2 348.493 3.742 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000179504958 1015414434 /nfs/dbraw/zinc/41/44/34/1015414434.db2.gz AICWOYHEWUIUEB-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000179504958 1015414435 /nfs/dbraw/zinc/41/44/35/1015414435.db2.gz AICWOYHEWUIUEB-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)CCc2c[nH+]cn2C)c(F)c1 ZINC000655361326 1015422841 /nfs/dbraw/zinc/42/28/41/1015422841.db2.gz YLXXBQHLHZWJGT-UHFFFAOYSA-N 1 2 333.407 3.555 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccc12 ZINC001266318663 1015524501 /nfs/dbraw/zinc/52/45/01/1015524501.db2.gz XXPRFQKKEJBZSQ-INIZCTEOSA-N 1 2 331.419 3.552 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001590603260 990266064 /nfs/dbraw/zinc/26/60/64/990266064.db2.gz WQPLOVOZJCAPFS-BRWVUGGUSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001590603260 990266066 /nfs/dbraw/zinc/26/60/66/990266066.db2.gz WQPLOVOZJCAPFS-BRWVUGGUSA-N 1 2 347.503 3.709 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC000683257473 1015553897 /nfs/dbraw/zinc/55/38/97/1015553897.db2.gz WUVDHMRLIVBZMP-UHFFFAOYSA-N 1 2 343.471 3.785 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cc(F)cc(Cl)c2)c1 ZINC000274962372 1015681224 /nfs/dbraw/zinc/68/12/24/1015681224.db2.gz BLTZBEBMYWAGRP-UHFFFAOYSA-N 1 2 326.824 3.712 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000154744934 1015790865 /nfs/dbraw/zinc/79/08/65/1015790865.db2.gz BQBMZHMGXWVYGZ-UHFFFAOYSA-N 1 2 347.509 3.524 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)c2ccc(C)cc2)cs1 ZINC000075887880 1015824078 /nfs/dbraw/zinc/82/40/78/1015824078.db2.gz OZPREHGEYYSAPZ-PBHICJAKSA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)c2ccc(C)cc2)cs1 ZINC000075887880 1015824085 /nfs/dbraw/zinc/82/40/85/1015824085.db2.gz OZPREHGEYYSAPZ-PBHICJAKSA-N 1 2 334.485 3.714 20 0 EHADLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000075955778 1015828839 /nfs/dbraw/zinc/82/88/39/1015828839.db2.gz BGEWNXMLIWQGJJ-INIZCTEOSA-N 1 2 331.481 3.781 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000075955778 1015828846 /nfs/dbraw/zinc/82/88/46/1015828846.db2.gz BGEWNXMLIWQGJJ-INIZCTEOSA-N 1 2 331.481 3.781 20 0 EHADLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000547757098 1015868103 /nfs/dbraw/zinc/86/81/03/1015868103.db2.gz DZZRJYYTICAHEW-AWEZNQCLSA-N 1 2 349.438 3.544 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000339928151 1015961998 /nfs/dbraw/zinc/96/19/98/1015961998.db2.gz WYRCXNQQJXPFMH-AWEZNQCLSA-N 1 2 341.430 3.550 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000278722509 1032134475 /nfs/dbraw/zinc/13/44/75/1032134475.db2.gz RIBCQUYFRUKBGR-JSGCOSHPSA-N 1 2 346.397 3.550 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C ZINC000584323129 1032136417 /nfs/dbraw/zinc/13/64/17/1032136417.db2.gz ZAXHMUCXZOMFFE-ZHALLVOQSA-N 1 2 339.483 3.662 20 0 EHADLO Cc1csc(C2([NH2+][C@@H](C)C(=O)c3c[nH]c4ncccc34)CCC2)n1 ZINC000275134401 1016086824 /nfs/dbraw/zinc/08/68/24/1016086824.db2.gz CHESEJBBBBATRA-LBPRGKRZSA-N 1 2 340.452 3.568 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1C(F)(F)F ZINC000547780564 1016138964 /nfs/dbraw/zinc/13/89/64/1016138964.db2.gz AEYHPVKBFHTXOD-UHFFFAOYSA-N 1 2 345.752 3.766 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(Br)c1 ZINC000037652901 1016143222 /nfs/dbraw/zinc/14/32/22/1016143222.db2.gz CJOMKVTUTZOHFK-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO Cc1ccc(C)c(-c2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2)c1 ZINC001167125764 1016206270 /nfs/dbraw/zinc/20/62/70/1016206270.db2.gz WGGCRGDSRBWUPO-UHFFFAOYSA-N 1 2 333.439 3.798 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000683335443 1016248195 /nfs/dbraw/zinc/24/81/95/1016248195.db2.gz SHVFMOOJSUVGIY-UHFFFAOYSA-N 1 2 328.174 3.846 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000155259396 1016367013 /nfs/dbraw/zinc/36/70/13/1016367013.db2.gz JBUZXXFUJHPRPQ-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000155259396 1016367017 /nfs/dbraw/zinc/36/70/17/1016367017.db2.gz JBUZXXFUJHPRPQ-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1cccc(F)c1 ZINC000115560879 1016381066 /nfs/dbraw/zinc/38/10/66/1016381066.db2.gz RYQGIUIGNXRIOO-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)Nc1cccc(F)c1 ZINC000115560879 1016381080 /nfs/dbraw/zinc/38/10/80/1016381080.db2.gz RYQGIUIGNXRIOO-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cs1 ZINC000115561543 1016383108 /nfs/dbraw/zinc/38/31/08/1016383108.db2.gz DQPGTELAHPLOFB-UHFFFAOYSA-N 1 2 348.443 3.871 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cs1 ZINC000115561543 1016383113 /nfs/dbraw/zinc/38/31/13/1016383113.db2.gz DQPGTELAHPLOFB-UHFFFAOYSA-N 1 2 348.443 3.871 20 0 EHADLO O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000177636789 1016403994 /nfs/dbraw/zinc/40/39/94/1016403994.db2.gz DMANVEHBLBBWQU-HNNXBMFYSA-N 1 2 337.345 3.723 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000275383584 1016647757 /nfs/dbraw/zinc/64/77/57/1016647757.db2.gz BWCVDVIOBBAHPF-LBPRGKRZSA-N 1 2 334.370 3.933 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197706 1016680303 /nfs/dbraw/zinc/68/03/03/1016680303.db2.gz ACUIOSOBYAPZBK-RISCZKNCSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197706 1016680310 /nfs/dbraw/zinc/68/03/10/1016680310.db2.gz ACUIOSOBYAPZBK-RISCZKNCSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199819 1016684971 /nfs/dbraw/zinc/68/49/71/1016684971.db2.gz FORGQKZPZYJYPK-CABCVRRESA-N 1 2 340.345 3.619 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199819 1016684974 /nfs/dbraw/zinc/68/49/74/1016684974.db2.gz FORGQKZPZYJYPK-CABCVRRESA-N 1 2 340.345 3.619 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000430400189 1016720880 /nfs/dbraw/zinc/72/08/80/1016720880.db2.gz MWRBPLHGZHCFDA-ZLGUVYLKSA-N 1 2 345.446 3.597 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@@H](c3cccs3)c3nnc[nH]3)c21 ZINC000340227526 1016733811 /nfs/dbraw/zinc/73/38/11/1016733811.db2.gz CXMKJZBQCHWTIE-KRWDZBQOSA-N 1 2 337.452 3.578 20 0 EHADLO O=C1[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)C[C@@H]2CCCCN12 ZINC000413379676 1016738113 /nfs/dbraw/zinc/73/81/13/1016738113.db2.gz MVSCMUGIIRYOKI-MGPLVRAMSA-N 1 2 333.794 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(Br)cc1 ZINC000181121418 1016909881 /nfs/dbraw/zinc/90/98/81/1016909881.db2.gz RELWUZGMBYVFEN-JTQLQIEISA-N 1 2 348.200 3.943 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(CNc2[nH+]cccc2OC)o1 ZINC000547838219 1017019173 /nfs/dbraw/zinc/01/91/73/1017019173.db2.gz WDPTYZRBRMMAAZ-UHFFFAOYSA-N 1 2 338.363 3.749 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000183563526 1032179927 /nfs/dbraw/zinc/17/99/27/1032179927.db2.gz MWWKWBKYXRZQDA-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO C[C@H](NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccn1C ZINC000538207067 1032205506 /nfs/dbraw/zinc/20/55/06/1032205506.db2.gz BIAYXCBZRPWTST-YOEHRIQHSA-N 1 2 332.879 3.561 20 0 EHADLO C[C@@](CO)([NH2+]Cc1ncccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000528385713 1032207399 /nfs/dbraw/zinc/20/73/99/1032207399.db2.gz CSSXVRCWVFEVEL-HNNXBMFYSA-N 1 2 344.764 3.751 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3ccccc3C)o2)ccc1O ZINC000080847131 1032215460 /nfs/dbraw/zinc/21/54/60/1032215460.db2.gz KOPLNGSXVTVRBH-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3ccccc3C)o2)ccc1O ZINC000080847131 1032215477 /nfs/dbraw/zinc/21/54/77/1032215477.db2.gz KOPLNGSXVTVRBH-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cn2c1 ZINC000449131878 1032225908 /nfs/dbraw/zinc/22/59/08/1032225908.db2.gz QBWKYCQMRIUAJD-AWEZNQCLSA-N 1 2 331.341 3.837 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184035592 1032227585 /nfs/dbraw/zinc/22/75/85/1032227585.db2.gz PUIGHZJEARITNZ-UHFFFAOYSA-N 1 2 348.809 3.618 20 0 EHADLO Fc1ccc(Br)c(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959230 1032228766 /nfs/dbraw/zinc/22/87/66/1032228766.db2.gz DLTLUDPNJJEGPQ-LLVKDONJSA-N 1 2 338.224 3.691 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCCO2 ZINC000183844640 1032232359 /nfs/dbraw/zinc/23/23/59/1032232359.db2.gz STRUBXXKIGNIHL-HNNXBMFYSA-N 1 2 346.862 3.580 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCCO2 ZINC000183844662 1032232672 /nfs/dbraw/zinc/23/26/72/1032232672.db2.gz STRUBXXKIGNIHL-OAHLLOKOSA-N 1 2 346.862 3.580 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(C)cc1OC)c1nnc2n1CCCCC2 ZINC000449113871 1032237480 /nfs/dbraw/zinc/23/74/80/1032237480.db2.gz XXSADVSVEHHDBX-INIZCTEOSA-N 1 2 328.460 3.562 20 0 EHADLO c1cn(C2CCCC2)nc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000538234434 1032241967 /nfs/dbraw/zinc/24/19/67/1032241967.db2.gz OFITUJOYBNODGB-UHFFFAOYSA-N 1 2 325.412 3.506 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1cccnc1 ZINC000528426412 1032281449 /nfs/dbraw/zinc/28/14/49/1032281449.db2.gz ZSYCHJXOUVLTMP-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1cccnc1 ZINC000528426412 1032281459 /nfs/dbraw/zinc/28/14/59/1032281459.db2.gz ZSYCHJXOUVLTMP-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184382017 1032290262 /nfs/dbraw/zinc/29/02/62/1032290262.db2.gz YPNNLMNMIVLOGT-HNNXBMFYSA-N 1 2 343.386 3.593 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)[nH]1 ZINC000459568116 1032296147 /nfs/dbraw/zinc/29/61/47/1032296147.db2.gz KKPXXGQYLHDISN-UHFFFAOYSA-N 1 2 336.439 3.641 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ncccc1Cl ZINC000528440337 1032299764 /nfs/dbraw/zinc/29/97/64/1032299764.db2.gz LBCZEDLZWMNMRB-VIFPVBQESA-N 1 2 346.784 3.961 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459574863 1032300368 /nfs/dbraw/zinc/30/03/68/1032300368.db2.gz DEVUYVGUORAJPM-UHFFFAOYSA-N 1 2 344.480 3.922 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1Cc2sccc2CC1(C)C ZINC000459574863 1032300376 /nfs/dbraw/zinc/30/03/76/1032300376.db2.gz DEVUYVGUORAJPM-UHFFFAOYSA-N 1 2 344.480 3.922 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2ccccc2n1C(F)F ZINC000459589206 1032309612 /nfs/dbraw/zinc/30/96/12/1032309612.db2.gz HIILKXVUJIZREC-UHFFFAOYSA-N 1 2 347.413 3.823 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2ccccc2n1C(F)F ZINC000459589206 1032309625 /nfs/dbraw/zinc/30/96/25/1032309625.db2.gz HIILKXVUJIZREC-UHFFFAOYSA-N 1 2 347.413 3.823 20 0 EHADLO O=C(C[N@@H+]1CCC12CCC2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000081563733 1032329243 /nfs/dbraw/zinc/32/92/43/1032329243.db2.gz FKPMJUTVGBZMQD-UHFFFAOYSA-N 1 2 349.406 3.655 20 0 EHADLO O=C(C[N@H+]1CCC12CCC2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000081563733 1032329249 /nfs/dbraw/zinc/32/92/49/1032329249.db2.gz FKPMJUTVGBZMQD-UHFFFAOYSA-N 1 2 349.406 3.655 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184876402 1032326762 /nfs/dbraw/zinc/32/67/62/1032326762.db2.gz BUAZZGIUUPSHDW-YQQAZPJKSA-N 1 2 341.455 3.687 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184870287 1032327415 /nfs/dbraw/zinc/32/74/15/1032327415.db2.gz MOFBZEZELCLHIJ-HOTGVXAUSA-N 1 2 349.434 3.870 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862970 1032328450 /nfs/dbraw/zinc/32/84/50/1032328450.db2.gz GNOPLMVATUPXFR-CABCVRRESA-N 1 2 329.444 3.543 20 0 EHADLO Clc1cc(C[NH+]2CC3(C2)CCOCC3)ccc1Br ZINC000459620079 1032332876 /nfs/dbraw/zinc/33/28/76/1032332876.db2.gz MYBAQYWASOKPCB-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185047904 1032341178 /nfs/dbraw/zinc/34/11/78/1032341178.db2.gz HXPFXJSYIVUMAQ-UHFFFAOYSA-N 1 2 335.407 3.666 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185034282 1032341886 /nfs/dbraw/zinc/34/18/86/1032341886.db2.gz MRYNNMIVBHPTFY-GXTWGEPZSA-N 1 2 349.525 3.700 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([S@](C)=O)cc1 ZINC000278750703 1032342059 /nfs/dbraw/zinc/34/20/59/1032342059.db2.gz WHILTLLECDZYED-AUADJRAKSA-N 1 2 348.415 3.750 20 0 EHADLO O=C(C1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1)C(F)(F)F ZINC000278754323 1032371623 /nfs/dbraw/zinc/37/16/23/1032371623.db2.gz SPBXXAAKWQWRQM-UHFFFAOYSA-N 1 2 344.358 3.747 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nc2cc(Cl)ccc12 ZINC000683525643 1017260347 /nfs/dbraw/zinc/26/03/47/1017260347.db2.gz YMNZVLFATZFTOO-VIFPVBQESA-N 1 2 345.752 3.763 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)nc2cc(Cl)ccc12 ZINC000683525643 1017260359 /nfs/dbraw/zinc/26/03/59/1017260359.db2.gz YMNZVLFATZFTOO-VIFPVBQESA-N 1 2 345.752 3.763 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(C)c(O)c(C)c1 ZINC001211910878 1032410344 /nfs/dbraw/zinc/41/03/44/1032410344.db2.gz DRHPQAOAXIZLMF-UHFFFAOYSA-N 1 2 338.411 3.904 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1SC ZINC000459704643 1032411800 /nfs/dbraw/zinc/41/18/00/1032411800.db2.gz HNBXZCCVZAHSHJ-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(OC)cc1 ZINC000536907475 1032420554 /nfs/dbraw/zinc/42/05/54/1032420554.db2.gz AHGUFYZGYSWWKZ-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(OC)cc1 ZINC000536907475 1032420560 /nfs/dbraw/zinc/42/05/60/1032420560.db2.gz AHGUFYZGYSWWKZ-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)sc3Cl)C2)n1 ZINC000449314190 1032448109 /nfs/dbraw/zinc/44/81/09/1032448109.db2.gz QMLRDMZMBFVGOM-SECBINFHSA-N 1 2 343.283 3.637 20 0 EHADLO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)sc3Cl)C2)n1 ZINC000449314190 1032448111 /nfs/dbraw/zinc/44/81/11/1032448111.db2.gz QMLRDMZMBFVGOM-SECBINFHSA-N 1 2 343.283 3.637 20 0 EHADLO Fc1ccccc1C1CC([NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000340377924 1017087549 /nfs/dbraw/zinc/08/75/49/1017087549.db2.gz UQWXLFQNVXAJSJ-PPUFBPAQSA-N 1 2 328.416 3.631 20 0 EHADLO Cc1[nH+]c(NCc2ccccc2OC(C)C)ccc1-c1cnn(C)c1 ZINC000449350486 1032467116 /nfs/dbraw/zinc/46/71/16/1032467116.db2.gz ZMSBACNPMLTURE-UHFFFAOYSA-N 1 2 336.439 3.612 20 0 EHADLO CCSc1cccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c1 ZINC000449347013 1032462960 /nfs/dbraw/zinc/46/29/60/1032462960.db2.gz PRCXQDBUVVRHLE-UHFFFAOYSA-N 1 2 338.480 3.937 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000315507284 1017302825 /nfs/dbraw/zinc/30/28/25/1017302825.db2.gz YUHAAZILBBPPQR-QMMMGPOBSA-N 1 2 325.206 3.610 20 0 EHADLO Cc1sc2nc([C@H](C)[N@H+](C)Cc3cccc(O)c3)nc(N)c2c1C ZINC000537048757 1032502242 /nfs/dbraw/zinc/50/22/42/1032502242.db2.gz BAFYCCSTSWLRKT-NSHDSACASA-N 1 2 342.468 3.789 20 0 EHADLO Cc1sc2nc([C@H](C)[N@@H+](C)Cc3cccc(O)c3)nc(N)c2c1C ZINC000537048757 1032502249 /nfs/dbraw/zinc/50/22/49/1032502249.db2.gz BAFYCCSTSWLRKT-NSHDSACASA-N 1 2 342.468 3.789 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3noc(C4CC4)n3)CC2(C)C)c1 ZINC000528618091 1032514167 /nfs/dbraw/zinc/51/41/67/1032514167.db2.gz DCGSUFRFUBTTEC-MRXNPFEDSA-N 1 2 327.428 3.581 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3noc(C4CC4)n3)CC2(C)C)c1 ZINC000528618091 1032514172 /nfs/dbraw/zinc/51/41/72/1032514172.db2.gz DCGSUFRFUBTTEC-MRXNPFEDSA-N 1 2 327.428 3.581 20 0 EHADLO Cc1nc(C[NH2+]Cc2cccc(C)c2F)sc1Br ZINC000449400484 1032522718 /nfs/dbraw/zinc/52/27/18/1032522718.db2.gz IUAHQRCSARFNKZ-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000459915304 1032526010 /nfs/dbraw/zinc/52/60/10/1032526010.db2.gz AUZAUJSMLPXBJF-PXAZEXFGSA-N 1 2 330.453 3.957 20 0 EHADLO CNC(=O)c1cccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1 ZINC000090070400 1032557975 /nfs/dbraw/zinc/55/79/75/1032557975.db2.gz QNSOHZYUVMIFKA-UHFFFAOYSA-N 1 2 326.444 3.695 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cnccn2)c2ccccc2OC)cc1 ZINC000090772213 1032594917 /nfs/dbraw/zinc/59/49/17/1032594917.db2.gz LUCRFIDEXCMCNV-YCRPNKLZSA-N 1 2 349.434 3.934 20 0 EHADLO O[C@@]1(C(F)F)CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000449474951 1032597018 /nfs/dbraw/zinc/59/70/18/1032597018.db2.gz SKBKDTPYLCEMRA-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000449474951 1032597024 /nfs/dbraw/zinc/59/70/24/1032597024.db2.gz SKBKDTPYLCEMRA-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c(C3CC3)nc3sccn23)s1 ZINC000537312729 1032622453 /nfs/dbraw/zinc/62/24/53/1032622453.db2.gz YVRLMZIVODKXHQ-UHFFFAOYSA-N 1 2 347.513 3.712 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000606365850 1032653506 /nfs/dbraw/zinc/65/35/06/1032653506.db2.gz XZJJSTKYVJAPTQ-QGZVFWFLSA-N 1 2 346.515 3.531 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000606365850 1032653517 /nfs/dbraw/zinc/65/35/17/1032653517.db2.gz XZJJSTKYVJAPTQ-QGZVFWFLSA-N 1 2 346.515 3.531 20 0 EHADLO CCC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000460182814 1032654458 /nfs/dbraw/zinc/65/44/58/1032654458.db2.gz CJQQHYYSAYQBRH-SJORKVTESA-N 1 2 332.492 3.836 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611865542 1032657982 /nfs/dbraw/zinc/65/79/82/1032657982.db2.gz JDYXBJHHMVMSMR-DLTLXFJOSA-N 1 2 345.874 3.828 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000606373690 1032658285 /nfs/dbraw/zinc/65/82/85/1032658285.db2.gz OTUNSZXQQLXQQM-SNGWPZLWSA-N 1 2 327.453 3.736 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000606373690 1032658289 /nfs/dbraw/zinc/65/82/89/1032658289.db2.gz OTUNSZXQQLXQQM-SNGWPZLWSA-N 1 2 327.453 3.736 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000606373688 1032658874 /nfs/dbraw/zinc/65/88/74/1032658874.db2.gz OTUNSZXQQLXQQM-OFAQMXQXSA-N 1 2 327.453 3.736 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000606373688 1032658889 /nfs/dbraw/zinc/65/88/89/1032658889.db2.gz OTUNSZXQQLXQQM-OFAQMXQXSA-N 1 2 327.453 3.736 20 0 EHADLO O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602144034 1032668953 /nfs/dbraw/zinc/66/89/53/1032668953.db2.gz YRXZICYVHMNRCH-QZTJIDSGSA-N 1 2 337.467 3.823 20 0 EHADLO O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602144034 1032668958 /nfs/dbraw/zinc/66/89/58/1032668958.db2.gz YRXZICYVHMNRCH-QZTJIDSGSA-N 1 2 337.467 3.823 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2c1cccc2Cl ZINC000119189539 1032679366 /nfs/dbraw/zinc/67/93/66/1032679366.db2.gz GTVTVZAIVDBGCS-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nc(C)n1 ZINC000659827380 1017126418 /nfs/dbraw/zinc/12/64/18/1017126418.db2.gz WEJSMBNBGDPHGA-HNNXBMFYSA-N 1 2 344.890 3.626 20 0 EHADLO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343839920 1017261783 /nfs/dbraw/zinc/26/17/83/1017261783.db2.gz SFNUVBRCVRNMKK-WOPDTQHZSA-N 1 2 335.439 3.933 20 0 EHADLO CCN(CC)[C@@H](C[NH2+]Cc1csc(C(F)(F)F)n1)c1ccco1 ZINC000892738940 1017282453 /nfs/dbraw/zinc/28/24/53/1017282453.db2.gz BYJOPYQISGJDIE-LBPRGKRZSA-N 1 2 347.406 3.928 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000650238919 1017324974 /nfs/dbraw/zinc/32/49/74/1017324974.db2.gz LCEGRHWEOOSSGW-UHFFFAOYSA-N 1 2 335.407 3.508 20 0 EHADLO Brc1ccc2nc(NCCCn3cc[nH+]c3)ccc2c1 ZINC000091424595 1032695525 /nfs/dbraw/zinc/69/55/25/1032695525.db2.gz SKOYQXZYSJGHSK-UHFFFAOYSA-N 1 2 331.217 3.696 20 0 EHADLO COCc1cc[nH+]c(NCc2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000650244886 1017465926 /nfs/dbraw/zinc/46/59/26/1017465926.db2.gz TZBVIYVDLGHINQ-UHFFFAOYSA-N 1 2 340.402 3.782 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CCO2 ZINC000449529363 1032701651 /nfs/dbraw/zinc/70/16/51/1032701651.db2.gz WNSWCWZRJRJAPU-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccsc1)CCO2 ZINC000449529363 1032701668 /nfs/dbraw/zinc/70/16/68/1032701668.db2.gz WNSWCWZRJRJAPU-UHFFFAOYSA-N 1 2 341.436 3.541 20 0 EHADLO CCC(CC)N(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000530922452 1017477606 /nfs/dbraw/zinc/47/76/06/1017477606.db2.gz BYNCNJSPAQQGGM-UHFFFAOYSA-N 1 2 330.476 3.544 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)c2ccccn2)cc1 ZINC000655735099 1017502747 /nfs/dbraw/zinc/50/27/47/1017502747.db2.gz FILULIHOFZAMFN-JOCHJYFZSA-N 1 2 346.478 3.996 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000081799928 1032704361 /nfs/dbraw/zinc/70/43/61/1032704361.db2.gz LTOZUAJIEUTZJK-OAHLLOKOSA-N 1 2 348.450 3.683 20 0 EHADLO FC(F)Oc1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528734271 1032704714 /nfs/dbraw/zinc/70/47/14/1032704714.db2.gz PKPSOOLUHLLNSG-UHFFFAOYSA-N 1 2 331.366 3.514 20 0 EHADLO FC(F)Oc1cccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528734271 1032704728 /nfs/dbraw/zinc/70/47/28/1032704728.db2.gz PKPSOOLUHLLNSG-UHFFFAOYSA-N 1 2 331.366 3.514 20 0 EHADLO Cc1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)ccc1O ZINC000683595248 1017585493 /nfs/dbraw/zinc/58/54/93/1017585493.db2.gz BBHILMJRJWTWCF-UHFFFAOYSA-N 1 2 332.363 3.662 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncc(Br)cc2O)Cc2ccccc21 ZINC001207448582 1017621978 /nfs/dbraw/zinc/62/19/78/1017621978.db2.gz KWQZLAOFVFVFNM-LLVKDONJSA-N 1 2 333.229 3.669 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncc(Br)cc2O)Cc2ccccc21 ZINC001207448582 1017621983 /nfs/dbraw/zinc/62/19/83/1017621983.db2.gz KWQZLAOFVFVFNM-LLVKDONJSA-N 1 2 333.229 3.669 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795043 1017628893 /nfs/dbraw/zinc/62/88/93/1017628893.db2.gz VQUTVFYQDOLGBM-GDBMZVCRSA-N 1 2 334.851 3.797 20 0 EHADLO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)cc1 ZINC000655796435 1017630641 /nfs/dbraw/zinc/63/06/41/1017630641.db2.gz HQNYPRAWMDOFGC-HRCADAONSA-N 1 2 346.862 3.736 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796826 1017632872 /nfs/dbraw/zinc/63/28/72/1017632872.db2.gz JMIYWTUWPRFMED-DOMZBBRYSA-N 1 2 332.473 3.619 20 0 EHADLO C[C@H](CCCc1cccnc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000413389872 1017633049 /nfs/dbraw/zinc/63/30/49/1017633049.db2.gz CEKHRBJTRUETTP-MRXNPFEDSA-N 1 2 325.460 3.685 20 0 EHADLO C[C@H](CCCc1cccnc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000413389872 1017633054 /nfs/dbraw/zinc/63/30/54/1017633054.db2.gz CEKHRBJTRUETTP-MRXNPFEDSA-N 1 2 325.460 3.685 20 0 EHADLO CCc1nnc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)s1 ZINC000650259532 1017661315 /nfs/dbraw/zinc/66/13/15/1017661315.db2.gz FKQNFEDYRUBNHT-UHFFFAOYSA-N 1 2 337.439 3.833 20 0 EHADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCc3c4ccccc4sc32)n1 ZINC000655814703 1017676574 /nfs/dbraw/zinc/67/65/74/1017676574.db2.gz PPNIQHMCHDIRHL-AWEZNQCLSA-N 1 2 341.484 3.810 20 0 EHADLO Clc1ccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000067854481 1017741942 /nfs/dbraw/zinc/74/19/42/1017741942.db2.gz GJALRNXDEGDQNC-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)CC2 ZINC000340431270 1017773845 /nfs/dbraw/zinc/77/38/45/1017773845.db2.gz HQVPLHIVXMVVOK-BONVTDFDSA-N 1 2 348.244 3.586 20 0 EHADLO FC(F)(F)[C@@H](C[C@@H]1CCCO1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000655853580 1017788484 /nfs/dbraw/zinc/78/84/84/1017788484.db2.gz MAUGKQORNCVZRH-GXTWGEPZSA-N 1 2 345.390 3.523 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000155470327 1017848853 /nfs/dbraw/zinc/84/88/53/1017848853.db2.gz RSSSTYRUNWJQQI-PKOBYXMFSA-N 1 2 325.456 3.542 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2noc(Cc3ccccc3)n2)c1 ZINC000537425362 1032726181 /nfs/dbraw/zinc/72/61/81/1032726181.db2.gz PXMHRJDDUHTAAE-UHFFFAOYSA-N 1 2 341.436 3.806 20 0 EHADLO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000377506856 1017923823 /nfs/dbraw/zinc/92/38/23/1017923823.db2.gz DHUITJJYNPTBGO-WOJBJXKFSA-N 1 2 347.418 3.522 20 0 EHADLO C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1(C)C ZINC000275655783 1017937056 /nfs/dbraw/zinc/93/70/56/1017937056.db2.gz WVCZVGWYBFIFEX-WFASDCNBSA-N 1 2 325.412 3.657 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000075755587 1018007019 /nfs/dbraw/zinc/00/70/19/1018007019.db2.gz SMWPTHXHIAPFRS-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO CC(C)(C)c1nsc(NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397655689 1018021627 /nfs/dbraw/zinc/02/16/27/1018021627.db2.gz YHIGKIOTOUDFNK-UHFFFAOYSA-N 1 2 344.528 3.582 20 0 EHADLO CC(C)(C)c1nc(=NCC2CC[NH+](Cc3ccccc3)CC2)s[nH]1 ZINC000397655689 1018021638 /nfs/dbraw/zinc/02/16/38/1018021638.db2.gz YHIGKIOTOUDFNK-UHFFFAOYSA-N 1 2 344.528 3.582 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc([C@H]4CCc5ccccc5C4)no3)ccn12 ZINC000655987170 1018131002 /nfs/dbraw/zinc/13/10/02/1018131002.db2.gz JHERMNKBBKOHJQ-INIZCTEOSA-N 1 2 330.391 3.965 20 0 EHADLO CC(C)[C@@H]1C[C@H](C[NH2+][C@H](c2nnc[nH]2)c2cccnc2)c2ccccc21 ZINC000340500999 1018157057 /nfs/dbraw/zinc/15/70/57/1018157057.db2.gz TVWJDFPJJPSQMJ-UXPWSPDFSA-N 1 2 347.466 3.806 20 0 EHADLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000047501297 1018192222 /nfs/dbraw/zinc/19/22/22/1018192222.db2.gz NGXVYMYKMDUTOB-HNNXBMFYSA-N 1 2 334.423 3.707 20 0 EHADLO O=C(CCSc1ccccc1Cl)NCCCNc1cccc[nH+]1 ZINC000340523165 1018207739 /nfs/dbraw/zinc/20/77/39/1018207739.db2.gz RGUVAVSNNGEBFT-UHFFFAOYSA-N 1 2 349.887 3.836 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3cc4c(s3)CCCC4)ccc2[nH+]1 ZINC000606570111 1032754019 /nfs/dbraw/zinc/75/40/19/1032754019.db2.gz UDVMSCRALDIRTE-UHFFFAOYSA-N 1 2 340.452 3.905 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000593097404 1032758191 /nfs/dbraw/zinc/75/81/91/1032758191.db2.gz ZAKFUTGEOXYCBU-OAHLLOKOSA-N 1 2 349.475 3.814 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000593097404 1032758204 /nfs/dbraw/zinc/75/82/04/1032758204.db2.gz ZAKFUTGEOXYCBU-OAHLLOKOSA-N 1 2 349.475 3.814 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc(C)c1Cl ZINC000669635241 1032762050 /nfs/dbraw/zinc/76/20/50/1032762050.db2.gz AJHZOTNKVGRHFZ-QGZVFWFLSA-N 1 2 343.858 3.955 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc(C)c1Cl ZINC000669635241 1032762062 /nfs/dbraw/zinc/76/20/62/1032762062.db2.gz AJHZOTNKVGRHFZ-QGZVFWFLSA-N 1 2 343.858 3.955 20 0 EHADLO COc1cc(-c2ccccc2)sc1C(=O)OCCCn1cc[nH+]c1 ZINC000783060019 1018418777 /nfs/dbraw/zinc/41/87/77/1018418777.db2.gz DGWMMGABWCTPJV-UHFFFAOYSA-N 1 2 342.420 3.867 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)cc2)n1 ZINC000377818762 1018422047 /nfs/dbraw/zinc/42/20/47/1018422047.db2.gz LZWSNPXZQCCOTP-AWEZNQCLSA-N 1 2 338.436 3.900 20 0 EHADLO C[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]2C[C@H]2C1 ZINC000343849312 1018438507 /nfs/dbraw/zinc/43/85/07/1018438507.db2.gz BYHGQPWTSBFCPA-JIPZTSHUSA-N 1 2 333.435 3.977 20 0 EHADLO CCc1cc(Nc2ccc(N(CC)CC)[nH+]c2)nc(-c2ccccn2)n1 ZINC000597915935 1032765113 /nfs/dbraw/zinc/76/51/13/1032765113.db2.gz MIBHBKONMPWWJA-UHFFFAOYSA-N 1 2 348.454 3.508 20 0 EHADLO Cc1nn(C(C)C)cc1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000340561431 1018457883 /nfs/dbraw/zinc/45/78/83/1018457883.db2.gz KIEJRICPHZSKLR-UHFFFAOYSA-N 1 2 328.338 3.721 20 0 EHADLO CC(C)Cc1ccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cn1 ZINC000893104307 1018504936 /nfs/dbraw/zinc/50/49/36/1018504936.db2.gz WETSRHYMDZHELR-MRXNPFEDSA-N 1 2 335.455 3.712 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581630 1032768596 /nfs/dbraw/zinc/76/85/96/1032768596.db2.gz KSWPVBHUYSGCBN-NSHDSACASA-N 1 2 330.338 3.837 20 0 EHADLO FC(F)(F)c1nn(Cc2ccc(C(F)(F)F)cn2)c2cc[nH+]cc21 ZINC000340596249 1018605683 /nfs/dbraw/zinc/60/56/83/1018605683.db2.gz LYKKSFXPMWRIET-UHFFFAOYSA-N 1 2 346.234 3.912 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1F ZINC000580082449 1018608438 /nfs/dbraw/zinc/60/84/38/1018608438.db2.gz DJBQKSXGSLUXTD-MEDUHNTESA-N 1 2 338.220 3.800 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000683806669 1018644912 /nfs/dbraw/zinc/64/49/12/1018644912.db2.gz KSRUWMUEBFBQBS-HKUYNNGSSA-N 1 2 347.462 3.898 20 0 EHADLO CSCC1(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000593167482 1032777308 /nfs/dbraw/zinc/77/73/08/1032777308.db2.gz UPJCKUBORAAFGI-UHFFFAOYSA-N 1 2 349.887 3.675 20 0 EHADLO COc1cccc2c(N3CCC[C@H](c4nncn4C4CC4)C3)cc[nH+]c12 ZINC000275796983 1018668580 /nfs/dbraw/zinc/66/85/80/1018668580.db2.gz JOJMEHFEDFZJJU-AWEZNQCLSA-N 1 2 349.438 3.554 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000580154756 1018715236 /nfs/dbraw/zinc/71/52/36/1018715236.db2.gz OENKXZOCAOIZFJ-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cnccc1C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000580154756 1018715244 /nfs/dbraw/zinc/71/52/44/1018715244.db2.gz OENKXZOCAOIZFJ-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccncc1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614352929 1018744154 /nfs/dbraw/zinc/74/41/54/1018744154.db2.gz HCZQTUVRTVMSFR-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO CCc1cc2c(ncnc2NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000052185372 1018773985 /nfs/dbraw/zinc/77/39/85/1018773985.db2.gz MHWLKICLYHFSMF-UHFFFAOYSA-N 1 2 339.468 3.730 20 0 EHADLO O=C(CCc1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052410082 1018796916 /nfs/dbraw/zinc/79/69/16/1018796916.db2.gz FQUFQRFYSZWBCX-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO Cc1ccc([C@H](CNc2nc3ccccc3o2)[NH+]2CCOCC2)cc1 ZINC000052488428 1018823053 /nfs/dbraw/zinc/82/30/53/1018823053.db2.gz GZBVZNJVOHIFQW-SFHVURJKSA-N 1 2 337.423 3.622 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC(F)(F)C[C@H]3C)nc(N)c2c1C ZINC000528773805 1032797711 /nfs/dbraw/zinc/79/77/11/1032797711.db2.gz RKLPCZMYEPVNTL-MRVPVSSYSA-N 1 2 326.416 3.510 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC(F)(F)C[C@H]3C)nc(N)c2c1C ZINC000528773805 1032797722 /nfs/dbraw/zinc/79/77/22/1032797722.db2.gz RKLPCZMYEPVNTL-MRVPVSSYSA-N 1 2 326.416 3.510 20 0 EHADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255893183 1019007615 /nfs/dbraw/zinc/00/76/15/1019007615.db2.gz IXYDJJYPOVMXMU-ZFWWWQNUSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255893183 1019007628 /nfs/dbraw/zinc/00/76/28/1019007628.db2.gz IXYDJJYPOVMXMU-ZFWWWQNUSA-N 1 2 331.485 3.594 20 0 EHADLO CS(=O)(=O)CC1(CCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000664156519 1019069670 /nfs/dbraw/zinc/06/96/70/1019069670.db2.gz FCTMDCXFFHDOON-UHFFFAOYSA-N 1 2 338.860 3.515 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000894184908 1019091747 /nfs/dbraw/zinc/09/17/47/1019091747.db2.gz MVWUVKQIYRJEFQ-ZDUSSCGKSA-N 1 2 349.736 3.784 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000894184907 1019093173 /nfs/dbraw/zinc/09/31/73/1019093173.db2.gz MVWUVKQIYRJEFQ-CYBMUJFWSA-N 1 2 349.736 3.784 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000558504570 1019112095 /nfs/dbraw/zinc/11/20/95/1019112095.db2.gz DOBVUZPFHMJCAQ-UHFFFAOYSA-N 1 2 333.435 3.777 20 0 EHADLO Cc1cnc(C[N@H+](Cc2cccc(Br)c2)C2CC2)nc1 ZINC000340658477 1019120313 /nfs/dbraw/zinc/12/03/13/1019120313.db2.gz DUWRHVZLKZLGDY-UHFFFAOYSA-N 1 2 332.245 3.712 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)nc1 ZINC000340658477 1019120323 /nfs/dbraw/zinc/12/03/23/1019120323.db2.gz DUWRHVZLKZLGDY-UHFFFAOYSA-N 1 2 332.245 3.712 20 0 EHADLO Cc1oc2nc(C[N@H+](Cc3ccc(F)cc3)C3CC3)nc(N)c2c1C ZINC000152947215 1019185297 /nfs/dbraw/zinc/18/52/97/1019185297.db2.gz OAQMWYZLEHPJAO-UHFFFAOYSA-N 1 2 340.402 3.726 20 0 EHADLO Cc1oc2nc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)nc(N)c2c1C ZINC000152947215 1019185311 /nfs/dbraw/zinc/18/53/11/1019185311.db2.gz OAQMWYZLEHPJAO-UHFFFAOYSA-N 1 2 340.402 3.726 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3cccc(C)c3)n2C)c1 ZINC000533806468 1019187809 /nfs/dbraw/zinc/18/78/09/1019187809.db2.gz LUKKPAMQNCXVII-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO C[C@@H](c1cccc(NC(=S)NC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000729162322 1019213142 /nfs/dbraw/zinc/21/31/42/1019213142.db2.gz MRNOINDZXBFXJZ-HNNXBMFYSA-N 1 2 347.528 3.699 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000022271965 1019245401 /nfs/dbraw/zinc/24/54/01/1019245401.db2.gz ZINULGSNXBKOSD-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000683927751 1019300713 /nfs/dbraw/zinc/30/07/13/1019300713.db2.gz WAUSFFROLZFBOG-ZETCQYMHSA-N 1 2 342.346 3.595 20 0 EHADLO CC1(C)CC[N@H+](Cc2cc(Cl)cc3cccnc32)CC[S@]1=O ZINC000449573930 1032828195 /nfs/dbraw/zinc/82/81/95/1032828195.db2.gz UQKYZRGZYOWJGM-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[S@]1=O ZINC000449573930 1032828214 /nfs/dbraw/zinc/82/82/14/1032828214.db2.gz UQKYZRGZYOWJGM-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(Cc2ccccc2Cl)CC1 ZINC000275892309 1019442818 /nfs/dbraw/zinc/44/28/18/1019442818.db2.gz SILXKNCUPXSPAP-OAHLLOKOSA-N 1 2 343.858 3.792 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471588913 1019553787 /nfs/dbraw/zinc/55/37/87/1019553787.db2.gz DEDUEMYOJMEZGC-DLBZAZTESA-N 1 2 328.460 3.688 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366962 1019574994 /nfs/dbraw/zinc/57/49/94/1019574994.db2.gz NFKFVLJGJKYFLD-WOJBJXKFSA-N 1 2 338.451 3.738 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccnc3)C2)cc1 ZINC000513366962 1019575007 /nfs/dbraw/zinc/57/50/07/1019575007.db2.gz NFKFVLJGJKYFLD-WOJBJXKFSA-N 1 2 338.451 3.738 20 0 EHADLO C[C@](O)(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000580543621 1019590825 /nfs/dbraw/zinc/59/08/25/1019590825.db2.gz LZXJXDYRMHYZGV-CABCVRRESA-N 1 2 344.764 3.727 20 0 EHADLO COc1ccc(C=CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC ZINC000054535776 1032843294 /nfs/dbraw/zinc/84/32/94/1032843294.db2.gz IBGHNCMFWVEJMP-WEVVVXLNSA-N 1 2 337.379 3.540 20 0 EHADLO COc1cncc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000580596293 1019713846 /nfs/dbraw/zinc/71/38/46/1019713846.db2.gz RZPZDKAQYXZAJK-UHFFFAOYSA-N 1 2 335.407 3.869 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]C/C(C)=C\c2ccccc2COC)no1 ZINC000513508293 1019750325 /nfs/dbraw/zinc/75/03/25/1019750325.db2.gz LSXMTWZOWYRUSA-KAMYIIQDSA-N 1 2 329.444 3.707 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)COC(C)(C)O3)C2 ZINC000656274813 1019880036 /nfs/dbraw/zinc/88/00/36/1019880036.db2.gz GADVYGFWCUCOFB-UHFFFAOYSA-N 1 2 325.408 3.856 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)COC(C)(C)O3)C2 ZINC000656274813 1019880054 /nfs/dbraw/zinc/88/00/54/1019880054.db2.gz GADVYGFWCUCOFB-UHFFFAOYSA-N 1 2 325.408 3.856 20 0 EHADLO CC(=O)c1c(F)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340771057 1019965680 /nfs/dbraw/zinc/96/56/80/1019965680.db2.gz CWOSUBQZFKPGCL-UHFFFAOYSA-N 1 2 329.419 3.922 20 0 EHADLO Cn1cccc1[C@@H]1CCCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255730699 1019971846 /nfs/dbraw/zinc/97/18/46/1019971846.db2.gz PEUSIFYETHWHFC-WUQYLLKWSA-N 1 2 346.434 3.588 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000345173938 1020009206 /nfs/dbraw/zinc/00/92/06/1020009206.db2.gz WPNWRZRMMSRACD-ZJUUUORDSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000345173938 1020009217 /nfs/dbraw/zinc/00/92/17/1020009217.db2.gz WPNWRZRMMSRACD-ZJUUUORDSA-N 1 2 344.274 3.504 20 0 EHADLO Cc1cccc(CC2(O)CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC000280102189 1020082861 /nfs/dbraw/zinc/08/28/61/1020082861.db2.gz BCUNJTUFZSNBRR-UHFFFAOYSA-N 1 2 337.467 3.545 20 0 EHADLO C(c1nc(C2CC2)no1)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000580829953 1020111254 /nfs/dbraw/zinc/11/12/54/1020111254.db2.gz FDABWEASKKJVHE-UHFFFAOYSA-N 1 2 344.484 3.662 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cc(Br)ccc2Cl)o1 ZINC000449609082 1032875930 /nfs/dbraw/zinc/87/59/30/1032875930.db2.gz LXLNLKUQAHPPIZ-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cscc3s2)C[C@H]1n1cc[nH+]c1 ZINC000528828894 1032879927 /nfs/dbraw/zinc/87/99/27/1032879927.db2.gz PCFBAWCLFYOFAS-DGCLKSJQSA-N 1 2 331.466 3.883 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc(Br)ccc2OC)o1 ZINC000449612486 1032882626 /nfs/dbraw/zinc/88/26/26/1032882626.db2.gz MKUFWSSGEFLFGL-UHFFFAOYSA-N 1 2 339.233 3.688 20 0 EHADLO Cc1sccc1CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000345470620 1020283739 /nfs/dbraw/zinc/28/37/39/1020283739.db2.gz RUAMYXOCSXBTKC-CQSZACIVSA-N 1 2 346.471 3.644 20 0 EHADLO C[C@H]1C[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@@H](C)C1 ZINC000345472721 1020285253 /nfs/dbraw/zinc/28/52/53/1020285253.db2.gz ZBZNGBKVBBNWQD-VQFNDLOPSA-N 1 2 343.515 3.998 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cnc3c(c2)CN=N3)cs1 ZINC001168111137 1032889738 /nfs/dbraw/zinc/88/97/38/1032889738.db2.gz ONVSTUYSUXWJGS-UHFFFAOYSA-N 1 2 348.501 3.542 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)ncc1Br ZINC000628323749 1020294106 /nfs/dbraw/zinc/29/41/06/1020294106.db2.gz LCRWBKBUNMCVQH-AWEZNQCLSA-N 1 2 327.266 3.542 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)ncc1Br ZINC000628323749 1020294116 /nfs/dbraw/zinc/29/41/16/1020294116.db2.gz LCRWBKBUNMCVQH-AWEZNQCLSA-N 1 2 327.266 3.542 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093236192 1032890261 /nfs/dbraw/zinc/89/02/61/1032890261.db2.gz DXPKNKXVSCZJBK-CVEARBPZSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093236192 1032890277 /nfs/dbraw/zinc/89/02/77/1032890277.db2.gz DXPKNKXVSCZJBK-CVEARBPZSA-N 1 2 325.456 3.514 20 0 EHADLO Cc1cc2[nH]c(C[N@@H+]3CCCC[C@H]3C(=O)NCC(F)F)cc2c(C)c1 ZINC000449599302 1032891732 /nfs/dbraw/zinc/89/17/32/1032891732.db2.gz GCYBUVKFZCRVLB-KRWDZBQOSA-N 1 2 349.425 3.521 20 0 EHADLO Cc1cc2[nH]c(C[N@H+]3CCCC[C@H]3C(=O)NCC(F)F)cc2c(C)c1 ZINC000449599302 1032891747 /nfs/dbraw/zinc/89/17/47/1032891747.db2.gz GCYBUVKFZCRVLB-KRWDZBQOSA-N 1 2 349.425 3.521 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)nc2ccccc12 ZINC000280370231 1020329937 /nfs/dbraw/zinc/32/99/37/1020329937.db2.gz KJQVFHGACBDIAC-BFUOFWGJSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)nc2ccccc12 ZINC000280370231 1020329947 /nfs/dbraw/zinc/32/99/47/1020329947.db2.gz KJQVFHGACBDIAC-BFUOFWGJSA-N 1 2 346.858 3.576 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627551 1020402548 /nfs/dbraw/zinc/40/25/48/1020402548.db2.gz PTCWZKBWISHNSO-APWZRJJASA-N 1 2 340.492 3.558 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627551 1020402554 /nfs/dbraw/zinc/40/25/54/1020402554.db2.gz PTCWZKBWISHNSO-APWZRJJASA-N 1 2 340.492 3.558 20 0 EHADLO C[C@@H]1CCN(C(=O)CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000280470702 1020409365 /nfs/dbraw/zinc/40/93/65/1020409365.db2.gz UBQNYXGTRRFORQ-AEFFLSMTSA-N 1 2 343.496 3.616 20 0 EHADLO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000030141842 1020436080 /nfs/dbraw/zinc/43/60/80/1020436080.db2.gz JZPMMKFWQWASAH-ZDUSSCGKSA-N 1 2 339.277 3.818 20 0 EHADLO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000030141842 1020436091 /nfs/dbraw/zinc/43/60/91/1020436091.db2.gz JZPMMKFWQWASAH-ZDUSSCGKSA-N 1 2 339.277 3.818 20 0 EHADLO COc1ccc([C@H](C)CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000175875632 1020449837 /nfs/dbraw/zinc/44/98/37/1020449837.db2.gz QLEWNWREWNBXBH-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO CC[NH+](CC)[C@H](c1nc(COC)no1)c1cccc(C(F)(F)F)c1 ZINC000345742014 1020490341 /nfs/dbraw/zinc/49/03/41/1020490341.db2.gz VEMKITNLKQFSBT-AWEZNQCLSA-N 1 2 343.349 3.666 20 0 EHADLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000345953372 1020626881 /nfs/dbraw/zinc/62/68/81/1020626881.db2.gz UKNSLELRFVELII-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2COc2cccnc2C)cs1 ZINC000419406407 1020638774 /nfs/dbraw/zinc/63/87/74/1020638774.db2.gz WSOBESXJKHHYEV-ZBFHGGJFSA-N 1 2 347.484 3.597 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2COc2cccnc2C)cs1 ZINC000419406407 1020638778 /nfs/dbraw/zinc/63/87/78/1020638778.db2.gz WSOBESXJKHHYEV-ZBFHGGJFSA-N 1 2 347.484 3.597 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3nc(-c4ccco4)oc3C)cc2[nH+]1 ZINC000340952250 1020670635 /nfs/dbraw/zinc/67/06/35/1020670635.db2.gz IDYQJPRSYWVUQM-UHFFFAOYSA-N 1 2 336.351 3.609 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000292415236 1020697265 /nfs/dbraw/zinc/69/72/65/1020697265.db2.gz SYEVCCVOIHTRGI-SFHVURJKSA-N 1 2 340.471 3.507 20 0 EHADLO Cc1cc[nH+]c(NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000188394933 1020745118 /nfs/dbraw/zinc/74/51/18/1020745118.db2.gz CRZRCFQYYGHEOS-UHFFFAOYSA-N 1 2 329.709 3.819 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000684209447 1020751423 /nfs/dbraw/zinc/75/14/23/1020751423.db2.gz BKHLPVYQKSJJCE-YPMHNXCESA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000684209447 1020751431 /nfs/dbraw/zinc/75/14/31/1020751431.db2.gz BKHLPVYQKSJJCE-YPMHNXCESA-N 1 2 325.334 3.818 20 0 EHADLO COc1cncc(Nc2cc(Br)cn3cc[nH+]c23)c1C ZINC001215731383 1020753072 /nfs/dbraw/zinc/75/30/72/1020753072.db2.gz ALLFTSLWUOCDBS-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO C[C@@H](CC(=O)N(C)c1nc2c(cccc2Cl)s1)n1cc[nH+]c1 ZINC000581373266 1020757934 /nfs/dbraw/zinc/75/79/34/1020757934.db2.gz PGHAMFQICDVYNH-JTQLQIEISA-N 1 2 334.832 3.760 20 0 EHADLO OC[C@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccccc1 ZINC000581400661 1020805465 /nfs/dbraw/zinc/80/54/65/1020805465.db2.gz VUJGCNCNLJADKB-IBGZPJMESA-N 1 2 334.419 3.849 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684230151 1020827147 /nfs/dbraw/zinc/82/71/47/1020827147.db2.gz FYSSLJQKNLNRJX-GOEBONIOSA-N 1 2 338.386 3.931 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCc3cccc(Br)c3C2)c1C ZINC000093480314 1032938887 /nfs/dbraw/zinc/93/88/87/1032938887.db2.gz JNDWUNUILGZQBO-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCc3cccc(Br)c3C2)c1C ZINC000093480314 1032938897 /nfs/dbraw/zinc/93/88/97/1032938897.db2.gz JNDWUNUILGZQBO-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCOCC1 ZINC000581464123 1020935615 /nfs/dbraw/zinc/93/56/15/1020935615.db2.gz ZFMDJMNVSFGJLN-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000341090468 1020971919 /nfs/dbraw/zinc/97/19/19/1020971919.db2.gz JHHFMAPWJZXETI-UHFFFAOYSA-N 1 2 344.308 3.808 20 0 EHADLO CCC1(O)CC[NH+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000072723766 1021017574 /nfs/dbraw/zinc/01/75/74/1021017574.db2.gz CJOHWAINDKSYOX-UHFFFAOYSA-N 1 2 331.485 3.932 20 0 EHADLO CCN1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)C1=O ZINC000656642368 1021073755 /nfs/dbraw/zinc/07/37/55/1021073755.db2.gz OWOLHBWJMQODGO-QZTJIDSGSA-N 1 2 346.833 3.779 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1 ZINC000341197562 1021082886 /nfs/dbraw/zinc/08/28/86/1021082886.db2.gz XBRWVZJDFGKQGN-HNNXBMFYSA-N 1 2 334.441 3.834 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccccc2OCc2ccncc2)cs1 ZINC000341211744 1021107735 /nfs/dbraw/zinc/10/77/35/1021107735.db2.gz PIDLDSHBJRDOII-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000581584556 1021113726 /nfs/dbraw/zinc/11/37/26/1021113726.db2.gz RLDYXTIUSHZYGW-RDJZCZTQSA-N 1 2 332.492 3.720 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341220306 1021121734 /nfs/dbraw/zinc/12/17/34/1021121734.db2.gz SLKZQAZSTITHEP-KRWDZBQOSA-N 1 2 333.435 3.991 20 0 EHADLO CCc1ccsc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341239282 1021154741 /nfs/dbraw/zinc/15/47/41/1021154741.db2.gz KOURVVRMVCGMKJ-UHFFFAOYSA-N 1 2 331.485 3.840 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681557 1021158243 /nfs/dbraw/zinc/15/82/43/1021158243.db2.gz HURXGQPLVSKYNM-GJZGRUSLSA-N 1 2 331.485 3.619 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000656681387 1021159093 /nfs/dbraw/zinc/15/90/93/1021159093.db2.gz FIGVCDSXDXNCRO-NXEZZACHSA-N 1 2 343.374 3.840 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)c1cscn1 ZINC000656681347 1021159201 /nfs/dbraw/zinc/15/92/01/1021159201.db2.gz DORJXHKLHNHGOS-MJBXVCDLSA-N 1 2 329.469 3.550 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+]Cc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000644904256 1021162323 /nfs/dbraw/zinc/16/23/23/1021162323.db2.gz FKXKCOPISZUTIA-UHFFFAOYSA-N 1 2 349.887 3.712 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000656681650 1021163330 /nfs/dbraw/zinc/16/33/30/1021163330.db2.gz JEURUYWVSOCKLJ-NXEZZACHSA-N 1 2 343.374 3.840 20 0 EHADLO CC(C)c1nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000341245038 1021171354 /nfs/dbraw/zinc/17/13/54/1021171354.db2.gz ZICNCJHRWVNYAY-UHFFFAOYSA-N 1 2 346.500 3.796 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581637463 1021228806 /nfs/dbraw/zinc/22/88/06/1021228806.db2.gz XREPCKANJVAAMU-ZFWWWQNUSA-N 1 2 338.386 3.883 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514091842 1021248039 /nfs/dbraw/zinc/24/80/39/1021248039.db2.gz YRMSYFHCDLORBH-MSOLQXFVSA-N 1 2 347.842 3.874 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514091842 1021248048 /nfs/dbraw/zinc/24/80/48/1021248048.db2.gz YRMSYFHCDLORBH-MSOLQXFVSA-N 1 2 347.842 3.874 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cs1 ZINC000426334025 1021288969 /nfs/dbraw/zinc/28/89/69/1021288969.db2.gz WHXHBEHLJGWPES-CYBMUJFWSA-N 1 2 341.480 3.969 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1scnc1C(C)C ZINC000455859896 1032966421 /nfs/dbraw/zinc/96/64/21/1032966421.db2.gz GUDCZFJZZHFGKK-UHFFFAOYSA-N 1 2 349.504 3.970 20 0 EHADLO COCc1csc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000656769796 1021310615 /nfs/dbraw/zinc/31/06/15/1021310615.db2.gz ZBPQZGNOROWRGC-KBPBESRZSA-N 1 2 347.484 3.515 20 0 EHADLO Cc1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc(C)c1O ZINC000436877270 1021321484 /nfs/dbraw/zinc/32/14/84/1021321484.db2.gz FONYARUREWUSOX-UHFFFAOYSA-N 1 2 346.390 3.971 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000507513595 1021321752 /nfs/dbraw/zinc/32/17/52/1021321752.db2.gz ABDDSLFGVDQQOT-LALPHHSUSA-N 1 2 328.239 3.781 20 0 EHADLO Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000533817991 1021351227 /nfs/dbraw/zinc/35/12/27/1021351227.db2.gz UCDXPQDOIQXVKF-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO COCCC1(C)C[NH+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000656795245 1021363626 /nfs/dbraw/zinc/36/36/26/1021363626.db2.gz DBPRNMUGKVREJE-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000516387955 1021378295 /nfs/dbraw/zinc/37/82/95/1021378295.db2.gz LMUXEFIANSATNR-HKUYNNGSSA-N 1 2 339.483 3.807 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000516390497 1021384043 /nfs/dbraw/zinc/38/40/43/1021384043.db2.gz YEAACDITGYUEBM-LPHOPBHVSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516393921 1021385956 /nfs/dbraw/zinc/38/59/56/1021385956.db2.gz IEZKIUHURLWNAG-GOEBONIOSA-N 1 2 329.419 3.844 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(SC3CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000341300632 1021388262 /nfs/dbraw/zinc/38/82/62/1021388262.db2.gz FTLZDHYSBFEHJP-RDTXWAMCSA-N 1 2 341.480 3.861 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C(=O)OC(C)(C)C ZINC000519614170 1021420907 /nfs/dbraw/zinc/42/09/07/1021420907.db2.gz XWDGFLQUBDCZBD-CQSZACIVSA-N 1 2 343.427 3.737 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000341317775 1021429174 /nfs/dbraw/zinc/42/91/74/1021429174.db2.gz LHUAIPVIXWSARU-UHFFFAOYSA-N 1 2 328.460 3.886 20 0 EHADLO OCC[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(F)c1 ZINC000426384281 1021431127 /nfs/dbraw/zinc/43/11/27/1021431127.db2.gz GAKIIEKAQFLLLK-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO OCC[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(F)c1 ZINC000426384281 1021431137 /nfs/dbraw/zinc/43/11/37/1021431137.db2.gz GAKIIEKAQFLLLK-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)c(Sc2ccccc2)c1 ZINC000427497842 1021436841 /nfs/dbraw/zinc/43/68/41/1021436841.db2.gz BADYGJJQIJNYBN-UHFFFAOYSA-N 1 2 349.459 3.999 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000507700397 1021451427 /nfs/dbraw/zinc/45/14/27/1021451427.db2.gz HEBHIJGYCMFRIT-LZLYRXPVSA-N 1 2 335.451 3.694 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000341331974 1021456648 /nfs/dbraw/zinc/45/66/48/1021456648.db2.gz RFYCREIZSWINDM-UHFFFAOYSA-N 1 2 347.871 3.925 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000341331974 1021456650 /nfs/dbraw/zinc/45/66/50/1021456650.db2.gz RFYCREIZSWINDM-UHFFFAOYSA-N 1 2 347.871 3.925 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccccc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000425692775 1021496150 /nfs/dbraw/zinc/49/61/50/1021496150.db2.gz OJRQMZFXNVHVEJ-DOMZBBRYSA-N 1 2 334.370 3.936 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(-c4ncco4)c3C)[nH+]c12 ZINC000581683632 1021504085 /nfs/dbraw/zinc/50/40/85/1021504085.db2.gz ZUTAEOMJEFYHIN-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)s1 ZINC000437074512 1021524566 /nfs/dbraw/zinc/52/45/66/1021524566.db2.gz CXFJPVZESZGPLR-CYBMUJFWSA-N 1 2 330.432 3.686 20 0 EHADLO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3cocn3)cc2)c1 ZINC000341360751 1021532954 /nfs/dbraw/zinc/53/29/54/1021532954.db2.gz YVPAZBIQPOSRTM-UHFFFAOYSA-N 1 2 340.379 3.774 20 0 EHADLO Cc1c[nH+]c(CNc2cc(C(F)(F)F)ccc2N2CCCC2)n1C ZINC000341366879 1021560500 /nfs/dbraw/zinc/56/05/00/1021560500.db2.gz CUIAFPHJIGQYQH-UHFFFAOYSA-N 1 2 338.377 3.960 20 0 EHADLO CC(C)[N@H+](Cc1nnnn1Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000581703062 1021569257 /nfs/dbraw/zinc/56/92/57/1021569257.db2.gz XJODERZEXUKHTR-KRWDZBQOSA-N 1 2 335.455 3.693 20 0 EHADLO CC(C)[N@@H+](Cc1nnnn1Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000581703062 1021569271 /nfs/dbraw/zinc/56/92/71/1021569271.db2.gz XJODERZEXUKHTR-KRWDZBQOSA-N 1 2 335.455 3.693 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000729480086 1021574017 /nfs/dbraw/zinc/57/40/17/1021574017.db2.gz XVGBCDIRYRDIEQ-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000729480086 1021574028 /nfs/dbraw/zinc/57/40/28/1021574028.db2.gz XVGBCDIRYRDIEQ-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000078611652 1021582389 /nfs/dbraw/zinc/58/23/89/1021582389.db2.gz DXBAOMNDVBMRKF-UHFFFAOYSA-N 1 2 339.782 3.981 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437122029 1021586064 /nfs/dbraw/zinc/58/60/64/1021586064.db2.gz GTNDGLKZMLHFEF-IBGZPJMESA-N 1 2 325.456 3.850 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437122029 1021586079 /nfs/dbraw/zinc/58/60/79/1021586079.db2.gz GTNDGLKZMLHFEF-IBGZPJMESA-N 1 2 325.456 3.850 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1ccccc1Oc1ccccc1 ZINC000440599212 1021636752 /nfs/dbraw/zinc/63/67/52/1021636752.db2.gz UARJLDRBUVLJNK-OAHLLOKOSA-N 1 2 340.402 3.891 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc2cc(Br)ccc2o1 ZINC000276533024 1021645867 /nfs/dbraw/zinc/64/58/67/1021645867.db2.gz CWOLTSYGZVCGNC-ZJUUUORDSA-N 1 2 349.232 3.736 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C2CC2)O1 ZINC000684411165 1021664158 /nfs/dbraw/zinc/66/41/58/1021664158.db2.gz CEJGQTYGHCEJEU-IFXJQAMLSA-N 1 2 345.874 3.584 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C2CC2)O1 ZINC000684411165 1021664167 /nfs/dbraw/zinc/66/41/67/1021664167.db2.gz CEJGQTYGHCEJEU-IFXJQAMLSA-N 1 2 345.874 3.584 20 0 EHADLO COc1cccc2c(N[C@@H](C)C(=O)N3Cc4ccccc4C3)cc[nH+]c12 ZINC000440639300 1021683474 /nfs/dbraw/zinc/68/34/74/1021683474.db2.gz RRTKBXRZLJCYMJ-AWEZNQCLSA-N 1 2 347.418 3.586 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000289213961 1021689215 /nfs/dbraw/zinc/68/92/15/1021689215.db2.gz CDYIMZILRHMBHR-GXFFZTMASA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000289213961 1021689227 /nfs/dbraw/zinc/68/92/27/1021689227.db2.gz CDYIMZILRHMBHR-GXFFZTMASA-N 1 2 342.188 3.986 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000519809363 1021698829 /nfs/dbraw/zinc/69/88/29/1021698829.db2.gz AVAONMICULNBKJ-IMJJTQAJSA-N 1 2 343.858 3.936 20 0 EHADLO Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000521051585 1021724892 /nfs/dbraw/zinc/72/48/92/1021724892.db2.gz FGBBLRGLKUNXFF-LBPRGKRZSA-N 1 2 341.333 3.722 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC000891479924 1021726940 /nfs/dbraw/zinc/72/69/40/1021726940.db2.gz HMLVDEDAVDVYIX-UHFFFAOYSA-N 1 2 348.422 3.538 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000891479924 1021726957 /nfs/dbraw/zinc/72/69/57/1021726957.db2.gz HMLVDEDAVDVYIX-UHFFFAOYSA-N 1 2 348.422 3.538 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccsc1 ZINC000127290635 1021728830 /nfs/dbraw/zinc/72/88/30/1021728830.db2.gz RHHAERRDIFAEGP-LLVKDONJSA-N 1 2 340.395 3.809 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccsc1 ZINC000127290635 1021728846 /nfs/dbraw/zinc/72/88/46/1021728846.db2.gz RHHAERRDIFAEGP-LLVKDONJSA-N 1 2 340.395 3.809 20 0 EHADLO CC1=CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000437347930 1021747979 /nfs/dbraw/zinc/74/79/79/1021747979.db2.gz QWKXTALJXUIVCO-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO CC1=CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000437347930 1021747995 /nfs/dbraw/zinc/74/79/95/1021747995.db2.gz QWKXTALJXUIVCO-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000440759843 1021767244 /nfs/dbraw/zinc/76/72/44/1021767244.db2.gz CVHHPABEEWEGIA-BYCMXARLSA-N 1 2 330.241 3.959 20 0 EHADLO CC[C@H](F)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000440759843 1021767260 /nfs/dbraw/zinc/76/72/60/1021767260.db2.gz CVHHPABEEWEGIA-BYCMXARLSA-N 1 2 330.241 3.959 20 0 EHADLO CC(C)CN(Cc1ccccc1F)C(=O)NCCCCn1cc[nH+]c1 ZINC000519922874 1021777657 /nfs/dbraw/zinc/77/76/57/1021777657.db2.gz KNGHMBDSXFMMPK-UHFFFAOYSA-N 1 2 346.450 3.670 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1Cl)CC1CC1 ZINC000341414990 1021791079 /nfs/dbraw/zinc/79/10/79/1021791079.db2.gz LBIDONMCRAHUKE-HNNXBMFYSA-N 1 2 343.858 3.538 20 0 EHADLO Cc1ccc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000439906739 1021805450 /nfs/dbraw/zinc/80/54/50/1021805450.db2.gz ZCKUFTSXRCERPG-TZIWHRDSSA-N 1 2 345.446 3.660 20 0 EHADLO O=C(NC[C@@H]1CC=CCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000519055711 1021813718 /nfs/dbraw/zinc/81/37/18/1021813718.db2.gz SWAROTKVHVFIPQ-CQSZACIVSA-N 1 2 334.489 3.607 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cccc2c1NCCC2)c1nc(C2CC2)no1 ZINC000894391477 1021829897 /nfs/dbraw/zinc/82/98/97/1021829897.db2.gz ITHFOQYURBRWCQ-INIZCTEOSA-N 1 2 326.444 3.792 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000516896743 1021837095 /nfs/dbraw/zinc/83/70/95/1021837095.db2.gz QTFKVFYPOSHJGJ-HXUWFJFHSA-N 1 2 334.423 3.920 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440902467 1021856155 /nfs/dbraw/zinc/85/61/55/1021856155.db2.gz GYRYXMKDROEPLY-HNNXBMFYSA-N 1 2 344.430 3.993 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000440902467 1021856174 /nfs/dbraw/zinc/85/61/74/1021856174.db2.gz GYRYXMKDROEPLY-HNNXBMFYSA-N 1 2 344.430 3.993 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000548256388 1021896820 /nfs/dbraw/zinc/89/68/20/1021896820.db2.gz KMBZTXOMKNPSET-ZDUSSCGKSA-N 1 2 337.533 3.926 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000548256388 1021896832 /nfs/dbraw/zinc/89/68/32/1021896832.db2.gz KMBZTXOMKNPSET-ZDUSSCGKSA-N 1 2 337.533 3.926 20 0 EHADLO CC(C)([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000506743208 1021903187 /nfs/dbraw/zinc/90/31/87/1021903187.db2.gz MWPFBDXUVAERKU-UHFFFAOYSA-N 1 2 341.386 3.813 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441044688 1021941250 /nfs/dbraw/zinc/94/12/50/1021941250.db2.gz AYLNTOUPIRBNDY-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441044688 1021941259 /nfs/dbraw/zinc/94/12/59/1021941259.db2.gz AYLNTOUPIRBNDY-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(Cc2ccc(F)cc2)CC1 ZINC000437566408 1021954477 /nfs/dbraw/zinc/95/44/77/1021954477.db2.gz HWFNRDIJYTZQLQ-UHFFFAOYSA-N 1 2 335.382 3.973 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cccc(C)c1C)C2 ZINC000441076445 1021957537 /nfs/dbraw/zinc/95/75/37/1021957537.db2.gz RIMDLJHCMCKCIG-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cccc(C)c1C)C2 ZINC000441076445 1021957550 /nfs/dbraw/zinc/95/75/50/1021957550.db2.gz RIMDLJHCMCKCIG-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000437581690 1021971958 /nfs/dbraw/zinc/97/19/58/1021971958.db2.gz MFIMIZIQSUIXOM-GDBMZVCRSA-N 1 2 330.501 3.620 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000437581690 1021971970 /nfs/dbraw/zinc/97/19/70/1021971970.db2.gz MFIMIZIQSUIXOM-GDBMZVCRSA-N 1 2 330.501 3.620 20 0 EHADLO COC(=O)[C@H](c1ccccc1Cl)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441135461 1022014705 /nfs/dbraw/zinc/01/47/05/1022014705.db2.gz SXSAVGYHIJSGQL-WFASDCNBSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@H](c1ccccc1Cl)[N@H+]1CCCC[C@H](SC)C1 ZINC000441135461 1022014723 /nfs/dbraw/zinc/01/47/23/1022014723.db2.gz SXSAVGYHIJSGQL-WFASDCNBSA-N 1 2 327.877 3.772 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000506806976 1022050480 /nfs/dbraw/zinc/05/04/80/1022050480.db2.gz TXPQWXSCJCKWEE-UHFFFAOYSA-N 1 2 344.256 3.968 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000506806976 1022050490 /nfs/dbraw/zinc/05/04/90/1022050490.db2.gz TXPQWXSCJCKWEE-UHFFFAOYSA-N 1 2 344.256 3.968 20 0 EHADLO O=C(CCC(F)F)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000684439276 1022062341 /nfs/dbraw/zinc/06/23/41/1022062341.db2.gz SXHZHMWSQFIUGY-CYBMUJFWSA-N 1 2 348.796 3.605 20 0 EHADLO O=C(CCC(F)F)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000684439276 1022062357 /nfs/dbraw/zinc/06/23/57/1022062357.db2.gz SXHZHMWSQFIUGY-CYBMUJFWSA-N 1 2 348.796 3.605 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1C(C)(C)C ZINC000299583878 1022089665 /nfs/dbraw/zinc/08/96/65/1022089665.db2.gz ZAUOIVSUVKRDTG-UHFFFAOYSA-N 1 2 337.427 3.843 20 0 EHADLO Cc1nnsc1C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000517211683 1022122801 /nfs/dbraw/zinc/12/28/01/1022122801.db2.gz ADYLMMCGZKPIFP-UHFFFAOYSA-N 1 2 336.873 3.913 20 0 EHADLO COc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000548300245 1022162628 /nfs/dbraw/zinc/16/26/28/1022162628.db2.gz KCJHKLZVPKQDPN-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000548300245 1022162636 /nfs/dbraw/zinc/16/26/36/1022162636.db2.gz KCJHKLZVPKQDPN-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO Cn1c(C[NH2+][C@@H]2COc3ccc(F)cc32)nc2cc(Cl)ccc21 ZINC000341536987 1022165730 /nfs/dbraw/zinc/16/57/30/1022165730.db2.gz VRHBKMXNJJFALL-CQSZACIVSA-N 1 2 331.778 3.589 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000437830383 1022169804 /nfs/dbraw/zinc/16/98/04/1022169804.db2.gz XMYPSXXDWHEKLL-RDJZCZTQSA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000437830383 1022169816 /nfs/dbraw/zinc/16/98/16/1022169816.db2.gz XMYPSXXDWHEKLL-RDJZCZTQSA-N 1 2 329.444 3.620 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCOc2ccc(C)c(C)c2)n1 ZINC000441372170 1022194147 /nfs/dbraw/zinc/19/41/47/1022194147.db2.gz BNROJUDAEWWASX-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(C)c(C)c2)n1 ZINC000441372170 1022194153 /nfs/dbraw/zinc/19/41/53/1022194153.db2.gz BNROJUDAEWWASX-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000437840226 1022202120 /nfs/dbraw/zinc/20/21/20/1022202120.db2.gz VQQBVGLHRRGOKB-HNNXBMFYSA-N 1 2 337.448 3.552 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000437840226 1022202130 /nfs/dbraw/zinc/20/21/30/1022202130.db2.gz VQQBVGLHRRGOKB-HNNXBMFYSA-N 1 2 337.448 3.552 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)c1 ZINC000187707157 1022223196 /nfs/dbraw/zinc/22/31/96/1022223196.db2.gz ZRBPRQOFQBSNCI-JTQLQIEISA-N 1 2 345.251 3.914 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000607157830 1033041835 /nfs/dbraw/zinc/04/18/35/1033041835.db2.gz WYONTHRHAVJRII-HOTGVXAUSA-N 1 2 335.492 3.972 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000607157830 1033041843 /nfs/dbraw/zinc/04/18/43/1033041843.db2.gz WYONTHRHAVJRII-HOTGVXAUSA-N 1 2 335.492 3.972 20 0 EHADLO CCc1nc(C[NH2+]Cc2cccc(Br)c2OC)cs1 ZINC000084056411 1022268416 /nfs/dbraw/zinc/26/84/16/1022268416.db2.gz YMMPNJOUSQVSLJ-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)NC1(c2cccc(Cl)c2)CC1 ZINC000607213903 1033044662 /nfs/dbraw/zinc/04/46/62/1033044662.db2.gz ZQZPQNSWWBVSBA-UHFFFAOYSA-N 1 2 326.787 3.799 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000664974973 1022314906 /nfs/dbraw/zinc/31/49/06/1022314906.db2.gz JMDIYLDFXNRNBZ-BBRMVZONSA-N 1 2 344.846 3.610 20 0 EHADLO CC(C)[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000581915359 1022363296 /nfs/dbraw/zinc/36/32/96/1022363296.db2.gz YDMOZQSVRZBZOJ-JOCHJYFZSA-N 1 2 347.462 3.987 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1c(Cl)nnc(Cl)c1Cl ZINC001167993898 1022388366 /nfs/dbraw/zinc/38/83/66/1022388366.db2.gz ZPNTVRWGPSAWLA-UHFFFAOYSA-N 1 2 334.569 3.607 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000341582386 1022389764 /nfs/dbraw/zinc/38/97/64/1022389764.db2.gz BQTYNWIXWZNHGQ-OAHLLOKOSA-N 1 2 336.233 3.772 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@H+](Cc2cccnc2)C2CC2)s1 ZINC000894489737 1022399762 /nfs/dbraw/zinc/39/97/62/1022399762.db2.gz HLSVNONOSSXFGT-UHFFFAOYSA-N 1 2 327.375 3.808 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@@H+](Cc2cccnc2)C2CC2)s1 ZINC000894489737 1022399781 /nfs/dbraw/zinc/39/97/81/1022399781.db2.gz HLSVNONOSSXFGT-UHFFFAOYSA-N 1 2 327.375 3.808 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000438126551 1022405918 /nfs/dbraw/zinc/40/59/18/1022405918.db2.gz YYFVJNPZZCHCSV-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000438126551 1022405927 /nfs/dbraw/zinc/40/59/27/1022405927.db2.gz YYFVJNPZZCHCSV-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822709 1022405877 /nfs/dbraw/zinc/40/58/77/1022405877.db2.gz JLFINECFQDYOOY-IAGOWNOFSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822709 1022405882 /nfs/dbraw/zinc/40/58/82/1022405882.db2.gz JLFINECFQDYOOY-IAGOWNOFSA-N 1 2 329.488 3.502 20 0 EHADLO CCN(CC1CCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458888311 1022425273 /nfs/dbraw/zinc/42/52/73/1022425273.db2.gz RNZOKZLBQKXAIU-UHFFFAOYSA-N 1 2 346.862 3.857 20 0 EHADLO CN(C)C(=O)c1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccc1F ZINC001211844151 1022437049 /nfs/dbraw/zinc/43/70/49/1022437049.db2.gz KQDMPRGZHIBLQG-UHFFFAOYSA-N 1 2 343.789 3.895 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C[C@@H]21 ZINC000172938440 1033052614 /nfs/dbraw/zinc/05/26/14/1033052614.db2.gz KGVNIMBYMBXYTC-IYBDPMFKSA-N 1 2 340.496 3.826 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C[C@@H]21 ZINC000172938440 1033052628 /nfs/dbraw/zinc/05/26/28/1033052628.db2.gz KGVNIMBYMBXYTC-IYBDPMFKSA-N 1 2 340.496 3.826 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1)C1CCCC1 ZINC000664826730 1022469000 /nfs/dbraw/zinc/46/90/00/1022469000.db2.gz XTEHCVAXRLSYNO-LJQANCHMSA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1)C1CCCC1 ZINC000664826730 1022469007 /nfs/dbraw/zinc/46/90/07/1022469007.db2.gz XTEHCVAXRLSYNO-LJQANCHMSA-N 1 2 329.488 3.644 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000111292130 1022469496 /nfs/dbraw/zinc/46/94/96/1022469496.db2.gz OCKYNECPOSEFGA-CQSZACIVSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000111292130 1022469510 /nfs/dbraw/zinc/46/95/10/1022469510.db2.gz OCKYNECPOSEFGA-CQSZACIVSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1nc(N(C)Cc2ccc(Br)s2)c(C)c(C)[nH+]1 ZINC000301665887 1022519399 /nfs/dbraw/zinc/51/93/99/1022519399.db2.gz CBEWQCSMRMTIJN-UHFFFAOYSA-N 1 2 326.263 3.862 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cccc(F)c2OC(F)F)C1 ZINC000668514596 1022509662 /nfs/dbraw/zinc/50/96/62/1022509662.db2.gz LAPFFYSNWCUWBA-UHFFFAOYSA-N 1 2 329.362 3.676 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc4oc(=O)oc4c3)CCO2)cc1 ZINC000894551532 1022539856 /nfs/dbraw/zinc/53/98/56/1022539856.db2.gz MEWBOGDQPRFKEG-LJQANCHMSA-N 1 2 339.391 3.522 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc4oc(=O)oc4c3)CCO2)cc1 ZINC000894551532 1022539863 /nfs/dbraw/zinc/53/98/63/1022539863.db2.gz MEWBOGDQPRFKEG-LJQANCHMSA-N 1 2 339.391 3.522 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831487 1022551213 /nfs/dbraw/zinc/55/12/13/1022551213.db2.gz GNVZCNVLTYXLPB-QINHECLXSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831487 1022551218 /nfs/dbraw/zinc/55/12/18/1022551218.db2.gz GNVZCNVLTYXLPB-QINHECLXSA-N 1 2 349.478 3.831 20 0 EHADLO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)CC1 ZINC000086962511 1022553451 /nfs/dbraw/zinc/55/34/51/1022553451.db2.gz LWECCYVOKNBVKW-UHFFFAOYSA-N 1 2 332.444 3.640 20 0 EHADLO Cc1cc(N[C@H]2CCc3ccccc3-n3ccnc32)nc(C2CC2)[nH+]1 ZINC000664689306 1022564984 /nfs/dbraw/zinc/56/49/84/1022564984.db2.gz UOOGURSKSOQKGQ-INIZCTEOSA-N 1 2 331.423 3.948 20 0 EHADLO Cn1nc2c(c1C[N@H+](C)Cc1ccc(F)c(Cl)c1)CSCC2 ZINC000894567521 1022567902 /nfs/dbraw/zinc/56/79/02/1022567902.db2.gz UGJBHIOBWLCBQU-UHFFFAOYSA-N 1 2 339.867 3.634 20 0 EHADLO Cn1nc2c(c1C[N@@H+](C)Cc1ccc(F)c(Cl)c1)CSCC2 ZINC000894567521 1022567914 /nfs/dbraw/zinc/56/79/14/1022567914.db2.gz UGJBHIOBWLCBQU-UHFFFAOYSA-N 1 2 339.867 3.634 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000517751647 1022622670 /nfs/dbraw/zinc/62/26/70/1022622670.db2.gz ZINIEMGJMRKXSA-ROUUACIJSA-N 1 2 338.455 3.519 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cn(C)nc1C1CC1)CC2 ZINC000894647680 1022662958 /nfs/dbraw/zinc/66/29/58/1022662958.db2.gz VTPFYNHDASFAPL-UHFFFAOYSA-N 1 2 331.847 3.518 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cn(C)nc1C1CC1)CC2 ZINC000894647680 1022662964 /nfs/dbraw/zinc/66/29/64/1022662964.db2.gz VTPFYNHDASFAPL-UHFFFAOYSA-N 1 2 331.847 3.518 20 0 EHADLO CCCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CC1 ZINC000665008311 1022681025 /nfs/dbraw/zinc/68/10/25/1022681025.db2.gz INYFZVAXQSTLLY-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO CCCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CC1 ZINC000665008311 1022681029 /nfs/dbraw/zinc/68/10/29/1022681029.db2.gz INYFZVAXQSTLLY-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO Fc1cc2c(cc1Br)[C@H]([NH2+][C@H]1CCc3cccnc31)CO2 ZINC000894672810 1022689903 /nfs/dbraw/zinc/68/99/03/1022689903.db2.gz IRVOUZWHADEREO-UONOGXRCSA-N 1 2 349.203 3.694 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(SC(F)F)c1 ZINC000067356774 1022710400 /nfs/dbraw/zinc/71/04/00/1022710400.db2.gz HJXTYUAUZFVPDC-UHFFFAOYSA-N 1 2 340.399 3.800 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000345985670 1022718302 /nfs/dbraw/zinc/71/83/02/1022718302.db2.gz SRROIHVKSGUJQR-FUHWJXTLSA-N 1 2 343.496 3.783 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000341642286 1022748841 /nfs/dbraw/zinc/74/88/41/1022748841.db2.gz URYWMKDHJDBELL-CYBMUJFWSA-N 1 2 325.243 3.827 20 0 EHADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000506264876 1022759405 /nfs/dbraw/zinc/75/94/05/1022759405.db2.gz SJZSFLKKXHKHAS-GOSISDBHSA-N 1 2 339.483 3.608 20 0 EHADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000506264876 1022759422 /nfs/dbraw/zinc/75/94/22/1022759422.db2.gz SJZSFLKKXHKHAS-GOSISDBHSA-N 1 2 339.483 3.608 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)n1 ZINC000894719681 1022791322 /nfs/dbraw/zinc/79/13/22/1022791322.db2.gz PTFHLHNDZICKNN-UHFFFAOYSA-N 1 2 339.336 3.620 20 0 EHADLO CC[C@H](C)[C@H](OC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345986852 1022797292 /nfs/dbraw/zinc/79/72/92/1022797292.db2.gz SAIYAYCUDCBZRP-BBRMVZONSA-N 1 2 326.400 3.715 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000506284343 1022808761 /nfs/dbraw/zinc/80/87/61/1022808761.db2.gz VPROMONVAGQDPU-LLVKDONJSA-N 1 2 335.753 3.744 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000506284343 1022808777 /nfs/dbraw/zinc/80/87/77/1022808777.db2.gz VPROMONVAGQDPU-LLVKDONJSA-N 1 2 335.753 3.744 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000341651969 1022814595 /nfs/dbraw/zinc/81/45/95/1022814595.db2.gz BGFARJYNBODRGT-OLZOCXBDSA-N 1 2 333.432 3.840 20 0 EHADLO Brc1cccc([C@@H]2CC[N@H+](Cc3nccn3C3CC3)C2)c1 ZINC000894722831 1022821115 /nfs/dbraw/zinc/82/11/15/1022821115.db2.gz LOCUCEKUENRAEL-CQSZACIVSA-N 1 2 346.272 3.970 20 0 EHADLO Brc1cccc([C@@H]2CC[N@@H+](Cc3nccn3C3CC3)C2)c1 ZINC000894722831 1022821129 /nfs/dbraw/zinc/82/11/29/1022821129.db2.gz LOCUCEKUENRAEL-CQSZACIVSA-N 1 2 346.272 3.970 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[nH]1 ZINC000894774438 1022873721 /nfs/dbraw/zinc/87/37/21/1022873721.db2.gz SGFGHAKHMPLTEW-SECBINFHSA-N 1 2 333.848 3.741 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1c(C)noc1C ZINC000189439878 1023025417 /nfs/dbraw/zinc/02/54/17/1023025417.db2.gz CGGOXXVSKQZWRP-INIZCTEOSA-N 1 2 328.391 3.857 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CCO1 ZINC000506379122 1023036184 /nfs/dbraw/zinc/03/61/84/1023036184.db2.gz FIIGZWNKEJKMSR-GOSISDBHSA-N 1 2 347.890 3.812 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CCO1 ZINC000506379122 1023036194 /nfs/dbraw/zinc/03/61/94/1023036194.db2.gz FIIGZWNKEJKMSR-GOSISDBHSA-N 1 2 347.890 3.812 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000189547985 1023049524 /nfs/dbraw/zinc/04/95/24/1023049524.db2.gz AKFVUYDFCUCPOQ-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC000165917817 1033101372 /nfs/dbraw/zinc/10/13/72/1033101372.db2.gz KYNXCYCAAMTOBF-ZDUSSCGKSA-N 1 2 337.876 3.797 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC000165917817 1033101382 /nfs/dbraw/zinc/10/13/82/1033101382.db2.gz KYNXCYCAAMTOBF-ZDUSSCGKSA-N 1 2 337.876 3.797 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccnc(OC)c2F)ccc1SC ZINC000891850224 1023053388 /nfs/dbraw/zinc/05/33/88/1023053388.db2.gz PBQBMTVPMMIXFG-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccnc(OC)c2F)ccc1SC ZINC000891850224 1023053402 /nfs/dbraw/zinc/05/34/02/1023053402.db2.gz PBQBMTVPMMIXFG-UHFFFAOYSA-N 1 2 336.432 3.592 20 0 EHADLO COc1nsc(CNc2ccc([NH+](C)C)cc2)c1Br ZINC000690084039 1023056714 /nfs/dbraw/zinc/05/67/14/1023056714.db2.gz UGBUJZGXUIZBCT-UHFFFAOYSA-N 1 2 342.262 3.592 20 0 EHADLO CC(F)(F)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000518174966 1023082803 /nfs/dbraw/zinc/08/28/03/1023082803.db2.gz LKPUSUBWERUCQG-UHFFFAOYSA-N 1 2 334.370 3.663 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000548425679 1023107525 /nfs/dbraw/zinc/10/75/25/1023107525.db2.gz DKKUVSCXCXJURC-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000548425679 1023107530 /nfs/dbraw/zinc/10/75/30/1023107530.db2.gz DKKUVSCXCXJURC-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO CCC(=O)c1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438885294 1023115885 /nfs/dbraw/zinc/11/58/85/1023115885.db2.gz UEVUELVVEKOYDS-UHFFFAOYSA-N 1 2 347.418 3.705 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000440485292 1023121845 /nfs/dbraw/zinc/12/18/45/1023121845.db2.gz KKISPBJOZUICIM-OAHLLOKOSA-N 1 2 331.485 3.625 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cnc1F ZINC000891870948 1023165851 /nfs/dbraw/zinc/16/58/51/1023165851.db2.gz GPICCRLUYMEEGE-SFHVURJKSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cnc1F ZINC000891870948 1023165857 /nfs/dbraw/zinc/16/58/57/1023165857.db2.gz GPICCRLUYMEEGE-SFHVURJKSA-N 1 2 342.393 3.623 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(C)C)cc1O ZINC000427030486 1023166566 /nfs/dbraw/zinc/16/65/66/1023166566.db2.gz ZNKIYERGKAANGW-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)C)cc1O ZINC000427030486 1023166573 /nfs/dbraw/zinc/16/65/73/1023166573.db2.gz ZNKIYERGKAANGW-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346019762 1023167581 /nfs/dbraw/zinc/16/75/81/1023167581.db2.gz QAGSBPFQOIAJTL-MRXNPFEDSA-N 1 2 332.492 3.664 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)NCCNc3cccc[nH+]3)o2)cc1 ZINC000438952885 1023167655 /nfs/dbraw/zinc/16/76/55/1023167655.db2.gz NUNYLIJQCOXXEQ-UHFFFAOYSA-N 1 2 335.407 3.746 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC(F)(F)c1ccccc1 ZINC000518264643 1023174614 /nfs/dbraw/zinc/17/46/14/1023174614.db2.gz LFCGYNPCUPMSQW-ZDUSSCGKSA-N 1 2 336.357 3.924 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000130540399 1023185439 /nfs/dbraw/zinc/18/54/39/1023185439.db2.gz UABMIJNKJHYHIJ-CQSZACIVSA-N 1 2 342.491 3.900 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000130540399 1023185444 /nfs/dbraw/zinc/18/54/44/1023185444.db2.gz UABMIJNKJHYHIJ-CQSZACIVSA-N 1 2 342.491 3.900 20 0 EHADLO O=C(NCCn1cccc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439025199 1023214985 /nfs/dbraw/zinc/21/49/85/1023214985.db2.gz WQAFOXHZMUTIEA-UHFFFAOYSA-N 1 2 349.438 3.510 20 0 EHADLO Cc1ccc(C(C)(C)c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)nc1 ZINC000665078167 1023230268 /nfs/dbraw/zinc/23/02/68/1023230268.db2.gz MEGYLUGYFJLZPO-UHFFFAOYSA-N 1 2 347.422 3.646 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427150420 1023242281 /nfs/dbraw/zinc/24/22/81/1023242281.db2.gz PHWLZVLNYBIKBR-OAHLLOKOSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427150420 1023242284 /nfs/dbraw/zinc/24/22/84/1023242284.db2.gz PHWLZVLNYBIKBR-OAHLLOKOSA-N 1 2 331.416 3.515 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000341745820 1023245958 /nfs/dbraw/zinc/24/59/58/1023245958.db2.gz ZLYVOUUQLBZIMA-LBPRGKRZSA-N 1 2 333.457 3.536 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000507338363 1023256002 /nfs/dbraw/zinc/25/60/02/1023256002.db2.gz FNEPTBJLNHNGEZ-HXUWFJFHSA-N 1 2 345.414 3.807 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000507338363 1023256009 /nfs/dbraw/zinc/25/60/09/1023256009.db2.gz FNEPTBJLNHNGEZ-HXUWFJFHSA-N 1 2 345.414 3.807 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)c[nH+]1 ZINC000459090458 1023275747 /nfs/dbraw/zinc/27/57/47/1023275747.db2.gz ZPJCTYXCYQLTOI-MJBXVCDLSA-N 1 2 343.393 3.959 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602730437 1033120072 /nfs/dbraw/zinc/12/00/72/1033120072.db2.gz QQQSMCNCZQMILW-FQEVSTJZSA-N 1 2 343.471 3.811 20 0 EHADLO Cc1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)nn1C ZINC000487393456 1023295300 /nfs/dbraw/zinc/29/53/00/1023295300.db2.gz IKKOYNKWZQYJON-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO Cc1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)nn1C ZINC000487393456 1023295306 /nfs/dbraw/zinc/29/53/06/1023295306.db2.gz IKKOYNKWZQYJON-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO CC1(C)C[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC(C)(C)O1 ZINC000190562679 1023304051 /nfs/dbraw/zinc/30/40/51/1023304051.db2.gz WZOHYMFUQIQMGY-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO Cc1c(Cl)cc(F)c(NC(=O)NCCNc2cccc[nH+]2)c1F ZINC000341784872 1023310173 /nfs/dbraw/zinc/31/01/73/1023310173.db2.gz FCVSDMFABSSSLG-UHFFFAOYSA-N 1 2 340.761 3.555 20 0 EHADLO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000548453775 1023337770 /nfs/dbraw/zinc/33/77/70/1023337770.db2.gz TUIPWEFLSAVVHS-GFCCVEGCSA-N 1 2 345.270 3.645 20 0 EHADLO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000548453775 1023337775 /nfs/dbraw/zinc/33/77/75/1023337775.db2.gz TUIPWEFLSAVVHS-GFCCVEGCSA-N 1 2 345.270 3.645 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)nn1 ZINC000449734125 1033127106 /nfs/dbraw/zinc/12/71/06/1033127106.db2.gz RCKWQHURJSAVIY-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000471949631 1023403766 /nfs/dbraw/zinc/40/37/66/1023403766.db2.gz XFEMRPZUDUYONS-XJKSGUPXSA-N 1 2 325.437 3.821 20 0 EHADLO CC[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000891932155 1023437013 /nfs/dbraw/zinc/43/70/13/1023437013.db2.gz USLRSFGCBQJKEX-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CC[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000891932155 1023437018 /nfs/dbraw/zinc/43/70/18/1023437018.db2.gz USLRSFGCBQJKEX-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602762388 1033133013 /nfs/dbraw/zinc/13/30/13/1033133013.db2.gz VINIINFIYKOLFM-HNNXBMFYSA-N 1 2 347.846 3.558 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccnn1-c1ccccc1 ZINC000471966725 1023471155 /nfs/dbraw/zinc/47/11/55/1023471155.db2.gz JAVOVXYAQJACCQ-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458121882 1023591916 /nfs/dbraw/zinc/59/19/16/1023591916.db2.gz IBQSXIJOUXUNGC-ICSRJNTNSA-N 1 2 349.478 3.980 20 0 EHADLO COC[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000449761179 1033152720 /nfs/dbraw/zinc/15/27/20/1033152720.db2.gz VKNCRMPIXVTSIB-MRXNPFEDSA-N 1 2 332.469 3.723 20 0 EHADLO O=C(NCC1(c2ccncc2)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000535760148 1023609257 /nfs/dbraw/zinc/60/92/57/1023609257.db2.gz YGBCDVUXUHKCGH-UHFFFAOYSA-N 1 2 346.434 3.509 20 0 EHADLO COC[C@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000449761179 1033152737 /nfs/dbraw/zinc/15/27/37/1033152737.db2.gz VKNCRMPIXVTSIB-MRXNPFEDSA-N 1 2 332.469 3.723 20 0 EHADLO c1nc(C2CCCCC2)sc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000535775569 1023625638 /nfs/dbraw/zinc/62/56/38/1023625638.db2.gz ZQVXQNXAKIZHQL-UHFFFAOYSA-N 1 2 342.512 3.908 20 0 EHADLO Cc1cccc([C@@H](NCc2c[nH+]cn2C(C)C)C(=O)OC(C)(C)C)c1 ZINC000897749434 1033148798 /nfs/dbraw/zinc/14/87/98/1033148798.db2.gz IWIGHNULUQCNFG-GOSISDBHSA-N 1 2 343.471 3.945 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3)C1)O[C@@H](C)C2 ZINC000535782048 1023630606 /nfs/dbraw/zinc/63/06/06/1023630606.db2.gz DVKVCXAUEJDTSZ-YCRPNKLZSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3)C1)O[C@@H](C)C2 ZINC000535782048 1023630612 /nfs/dbraw/zinc/63/06/12/1023630612.db2.gz DVKVCXAUEJDTSZ-YCRPNKLZSA-N 1 2 339.435 3.592 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)s1 ZINC000602773800 1033151006 /nfs/dbraw/zinc/15/10/06/1033151006.db2.gz VVRRTUXEBCINGE-HNNXBMFYSA-N 1 2 346.452 3.666 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H]2c2ccccc2OC)s1 ZINC000602773800 1033151016 /nfs/dbraw/zinc/15/10/16/1033151016.db2.gz VVRRTUXEBCINGE-HNNXBMFYSA-N 1 2 346.452 3.666 20 0 EHADLO Fc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1F ZINC000594051535 1033151210 /nfs/dbraw/zinc/15/12/10/1033151210.db2.gz CBXRLIXGMMINCK-UHFFFAOYSA-N 1 2 339.389 3.929 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000934048612 1023689994 /nfs/dbraw/zinc/68/99/94/1023689994.db2.gz SSBAFDDRDGTYHK-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000934048612 1023689996 /nfs/dbraw/zinc/68/99/96/1023689996.db2.gz SSBAFDDRDGTYHK-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341978958 1023739383 /nfs/dbraw/zinc/73/93/83/1023739383.db2.gz XLDIOULPJAICIB-OAHLLOKOSA-N 1 2 346.496 3.625 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341978958 1023739387 /nfs/dbraw/zinc/73/93/87/1023739387.db2.gz XLDIOULPJAICIB-OAHLLOKOSA-N 1 2 346.496 3.625 20 0 EHADLO Cc1cccn2cc(Cc3nc([C@H](C)Oc4ccccc4)no3)[nH+]c12 ZINC000544998659 1023753315 /nfs/dbraw/zinc/75/33/15/1023753315.db2.gz MLBLWNMGJLOJPN-AWEZNQCLSA-N 1 2 334.379 3.757 20 0 EHADLO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2csc(C)n2)c2ccccc2)n1 ZINC000277093543 1023757969 /nfs/dbraw/zinc/75/79/69/1023757969.db2.gz KUTBBTRXYYWHQW-XHDPSFHLSA-N 1 2 328.441 3.778 20 0 EHADLO COCC[C@H]([NH2+]Cc1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000342035135 1023771320 /nfs/dbraw/zinc/77/13/20/1023771320.db2.gz QGMWEKHLKGBYIU-AWEZNQCLSA-N 1 2 326.227 3.651 20 0 EHADLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000342064413 1023814268 /nfs/dbraw/zinc/81/42/68/1023814268.db2.gz QBGRAVZGGJDMBJ-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)c2C1 ZINC000458263185 1023816400 /nfs/dbraw/zinc/81/64/00/1023816400.db2.gz SVIMAHHGQKETQK-ALKREAHSSA-N 1 2 349.478 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)c2C1 ZINC000458263185 1023816404 /nfs/dbraw/zinc/81/64/04/1023816404.db2.gz SVIMAHHGQKETQK-ALKREAHSSA-N 1 2 349.478 3.531 20 0 EHADLO CC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC(F)(F)CC1 ZINC000528963582 1033171675 /nfs/dbraw/zinc/17/16/75/1033171675.db2.gz OVBUMYVUKNUUHC-UHFFFAOYSA-N 1 2 333.382 3.704 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000150844501 1023949248 /nfs/dbraw/zinc/94/92/48/1023949248.db2.gz HYIATHVPFVBSSH-QWHCGFSZSA-N 1 2 328.366 3.957 20 0 EHADLO CO[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000513886852 1023952968 /nfs/dbraw/zinc/95/29/68/1023952968.db2.gz RRKHDQFWXRTFRA-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO CO[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000513886852 1023952977 /nfs/dbraw/zinc/95/29/77/1023952977.db2.gz RRKHDQFWXRTFRA-KRWDZBQOSA-N 1 2 332.831 3.598 20 0 EHADLO COc1ccc(Br)cc1C1([NH2+]Cc2ocnc2C)CC1 ZINC000895076721 1023986746 /nfs/dbraw/zinc/98/67/46/1023986746.db2.gz RSVJMPIZGRARAP-UHFFFAOYSA-N 1 2 337.217 3.533 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H](C)C1CCCCC1 ZINC000434401180 1024016995 /nfs/dbraw/zinc/01/69/95/1024016995.db2.gz XXKUKWYWJLOTCG-JTDSTZFVSA-N 1 2 345.487 3.849 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000192468827 1024028100 /nfs/dbraw/zinc/02/81/00/1024028100.db2.gz QYWYJGHWGBRJSJ-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1F ZINC000520543920 1024078066 /nfs/dbraw/zinc/07/80/66/1024078066.db2.gz YGJIPOJYXRRTID-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000434536854 1024126604 /nfs/dbraw/zinc/12/66/04/1024126604.db2.gz WYXUUKJLTXHURJ-ZDUSSCGKSA-N 1 2 336.842 3.859 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000434536854 1024126612 /nfs/dbraw/zinc/12/66/12/1024126612.db2.gz WYXUUKJLTXHURJ-ZDUSSCGKSA-N 1 2 336.842 3.859 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC000277189011 1024133485 /nfs/dbraw/zinc/13/34/85/1024133485.db2.gz BJZFCZJGWKRMEC-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000514115631 1024148672 /nfs/dbraw/zinc/14/86/72/1024148672.db2.gz BYHQKAJKNLAYLZ-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000514115631 1024148684 /nfs/dbraw/zinc/14/86/84/1024148684.db2.gz BYHQKAJKNLAYLZ-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)CC2 ZINC000639099987 1024161059 /nfs/dbraw/zinc/16/10/59/1024161059.db2.gz XJWONRSMGJLHJA-SMDDNHRTSA-N 1 2 345.443 3.722 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823008 1033191499 /nfs/dbraw/zinc/19/14/99/1033191499.db2.gz IQRYLRVELKDXEA-PWSUYJOCSA-N 1 2 346.349 3.577 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823008 1033191511 /nfs/dbraw/zinc/19/15/11/1033191511.db2.gz IQRYLRVELKDXEA-PWSUYJOCSA-N 1 2 346.349 3.577 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@@]1=O ZINC000277205898 1024205053 /nfs/dbraw/zinc/20/50/53/1024205053.db2.gz MYDJAOQQLQCKBQ-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@@]1=O ZINC000277205898 1024205066 /nfs/dbraw/zinc/20/50/66/1024205066.db2.gz MYDJAOQQLQCKBQ-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520602385 1024205466 /nfs/dbraw/zinc/20/54/66/1024205466.db2.gz KLOXFCUUKOCASL-NUJGCVRESA-N 1 2 345.487 3.780 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000609555788 1024238677 /nfs/dbraw/zinc/23/86/77/1024238677.db2.gz FYFMVNYWUVEJKM-AWEZNQCLSA-N 1 2 330.457 3.684 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)sc2C)C[C@@H]2CCCO2)c1 ZINC000443627952 1024259021 /nfs/dbraw/zinc/25/90/21/1024259021.db2.gz KDIQEXFAICIVGD-SFHVURJKSA-N 1 2 346.496 3.950 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)sc2C)C[C@@H]2CCCO2)c1 ZINC000443627952 1024259038 /nfs/dbraw/zinc/25/90/38/1024259038.db2.gz KDIQEXFAICIVGD-SFHVURJKSA-N 1 2 346.496 3.950 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000281104907 1024290009 /nfs/dbraw/zinc/29/00/09/1024290009.db2.gz LGRYAVMUYZHIEZ-VIFPVBQESA-N 1 2 341.304 3.865 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505476018 1024317336 /nfs/dbraw/zinc/31/73/36/1024317336.db2.gz IDVHFTVHASTUDP-SFHVURJKSA-N 1 2 346.833 3.503 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@@H](CC)C2)nc1-c1ccncc1 ZINC000119493625 1024340082 /nfs/dbraw/zinc/34/00/82/1024340082.db2.gz AUYKOMWXDZRIDU-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@@H](CC)C2)nc1-c1ccncc1 ZINC000119493625 1024340100 /nfs/dbraw/zinc/34/01/00/1024340100.db2.gz AUYKOMWXDZRIDU-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO COc1ccc(OC)c(C[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000101597058 1024344927 /nfs/dbraw/zinc/34/49/27/1024344927.db2.gz FGTRFZXCNZKVAR-KRWDZBQOSA-N 1 2 333.428 3.800 20 0 EHADLO COc1cccc2cnc(N3CCC(Nc4cccc[nH+]4)CC3)cc21 ZINC000895347763 1024349507 /nfs/dbraw/zinc/34/95/07/1024349507.db2.gz PSMCSXCQGQDWMD-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO Fc1cc2ccnc(N3CCC(Nc4cccc[nH+]4)CC3)c2cc1F ZINC000895347989 1024351945 /nfs/dbraw/zinc/35/19/45/1024351945.db2.gz YEAPQRUSVMEBGU-UHFFFAOYSA-N 1 2 340.377 3.989 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000346090266 1024389208 /nfs/dbraw/zinc/38/92/08/1024389208.db2.gz ZPBGUUIDCWJQAL-LBPRGKRZSA-N 1 2 339.407 3.609 20 0 EHADLO Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000892035488 1024429272 /nfs/dbraw/zinc/42/92/72/1024429272.db2.gz AFMDRTUNLKIPEX-UHFFFAOYSA-N 1 2 330.476 3.502 20 0 EHADLO CCSCC[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425198340 1024435955 /nfs/dbraw/zinc/43/59/55/1024435955.db2.gz XHINFTSMLYSWKV-HOCLYGCPSA-N 1 2 331.485 3.580 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505530375 1024443912 /nfs/dbraw/zinc/44/39/12/1024443912.db2.gz QBHLPNFKCVTBSK-POIDEFEESA-N 1 2 338.426 3.711 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1N1CCc2ccccc21 ZINC000346148792 1024449993 /nfs/dbraw/zinc/44/99/93/1024449993.db2.gz MFWUUWDVUGOWFA-UHFFFAOYSA-N 1 2 332.407 3.675 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)s1 ZINC000346152098 1024452934 /nfs/dbraw/zinc/45/29/34/1024452934.db2.gz OTLVKEOXCMBOAZ-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)s1 ZINC000346152098 1024452939 /nfs/dbraw/zinc/45/29/39/1024452939.db2.gz OTLVKEOXCMBOAZ-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)c(F)c1 ZINC000472328207 1033212035 /nfs/dbraw/zinc/21/20/35/1033212035.db2.gz PYGFLBRPWSUZMR-SFHVURJKSA-N 1 2 329.419 3.638 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c(F)c1 ZINC000472328207 1033212046 /nfs/dbraw/zinc/21/20/46/1033212046.db2.gz PYGFLBRPWSUZMR-SFHVURJKSA-N 1 2 329.419 3.638 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505543725 1024456574 /nfs/dbraw/zinc/45/65/74/1024456574.db2.gz VDCROXPZPBOSMX-YTXYEVPYSA-N 1 2 344.474 3.905 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000346187341 1024470404 /nfs/dbraw/zinc/47/04/04/1024470404.db2.gz MOWRQUWJDDOCSD-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000346187341 1024470413 /nfs/dbraw/zinc/47/04/13/1024470413.db2.gz MOWRQUWJDDOCSD-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505557335 1024475861 /nfs/dbraw/zinc/47/58/61/1024475861.db2.gz IOINLFPVVMVUOJ-IBGZPJMESA-N 1 2 340.442 3.910 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000113936105 1024479267 /nfs/dbraw/zinc/47/92/67/1024479267.db2.gz ASLUJNSRNAQXSZ-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000113936105 1024479282 /nfs/dbraw/zinc/47/92/82/1024479282.db2.gz ASLUJNSRNAQXSZ-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000895408570 1024479760 /nfs/dbraw/zinc/47/97/60/1024479760.db2.gz GOPZFGPPLUREIP-QGZVFWFLSA-N 1 2 326.387 3.715 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000895408570 1024479770 /nfs/dbraw/zinc/47/97/70/1024479770.db2.gz GOPZFGPPLUREIP-QGZVFWFLSA-N 1 2 326.387 3.715 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000434904117 1024495588 /nfs/dbraw/zinc/49/55/88/1024495588.db2.gz MPQWXYWZZMEXOE-UHFFFAOYSA-N 1 2 347.509 3.576 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000434904117 1024495594 /nfs/dbraw/zinc/49/55/94/1024495594.db2.gz MPQWXYWZZMEXOE-UHFFFAOYSA-N 1 2 347.509 3.576 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000536466160 1024500363 /nfs/dbraw/zinc/50/03/63/1024500363.db2.gz DOGVDEQAQIOQLK-BEFAXECRSA-N 1 2 340.471 3.772 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1Cl ZINC000505565264 1024500324 /nfs/dbraw/zinc/50/03/24/1024500324.db2.gz IVMRDJUTILPZML-KRWDZBQOSA-N 1 2 346.833 3.503 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000446255028 1024502234 /nfs/dbraw/zinc/50/22/34/1024502234.db2.gz GKZSGFXIJHMFHS-DOTOQJQBSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)n1 ZINC000892056031 1024504081 /nfs/dbraw/zinc/50/40/81/1024504081.db2.gz YWHFZMPYNBULIC-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncc(Br)cc2O)n1 ZINC000892056031 1024504096 /nfs/dbraw/zinc/50/40/96/1024504096.db2.gz YWHFZMPYNBULIC-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO COc1ccc2c(c1)CCN2C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342238227 1024511761 /nfs/dbraw/zinc/51/17/61/1024511761.db2.gz LWMKFYZXORZSCR-GOSISDBHSA-N 1 2 347.418 3.530 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000342238177 1024512202 /nfs/dbraw/zinc/51/22/02/1024512202.db2.gz LHQOEWRTCZSYFM-VQTJNVASSA-N 1 2 345.446 3.948 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052434127 1024524656 /nfs/dbraw/zinc/52/46/56/1024524656.db2.gz KGDGMNMRZLQETO-UHFFFAOYSA-N 1 2 347.344 3.551 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000505582773 1024535639 /nfs/dbraw/zinc/53/56/39/1024535639.db2.gz WKNXBZBMJPEACP-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000505582773 1024535649 /nfs/dbraw/zinc/53/56/49/1024535649.db2.gz WKNXBZBMJPEACP-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(-c2ccccc2)no1)C1CCCC1 ZINC000434985398 1024541118 /nfs/dbraw/zinc/54/11/18/1024541118.db2.gz AMNRHMVNKHVNNB-UHFFFAOYSA-N 1 2 328.412 3.649 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CCCC1 ZINC000434985398 1024541130 /nfs/dbraw/zinc/54/11/30/1024541130.db2.gz AMNRHMVNKHVNNB-UHFFFAOYSA-N 1 2 328.412 3.649 20 0 EHADLO CCC(CC)(NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000459185337 1024554212 /nfs/dbraw/zinc/55/42/12/1024554212.db2.gz SMJVLPSGRJNDLQ-UHFFFAOYSA-N 1 2 348.878 3.631 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(-n3cccn3)cc2)n1-c1ccccc1 ZINC000327223797 1024558326 /nfs/dbraw/zinc/55/83/26/1024558326.db2.gz IZOSGFBHPISLDA-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)cc1 ZINC000665504029 1024565529 /nfs/dbraw/zinc/56/55/29/1024565529.db2.gz BCQNDTPJAWXOKN-RTBURBONSA-N 1 2 337.467 3.838 20 0 EHADLO O=C1CCCN1[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000413564131 1033220303 /nfs/dbraw/zinc/22/03/03/1033220303.db2.gz DGKDMNTWNQYGLE-AWEZNQCLSA-N 1 2 343.858 3.870 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)c1ccccc1)C2 ZINC000474202290 1024574119 /nfs/dbraw/zinc/57/41/19/1024574119.db2.gz SQNVYPSHKWSBQK-GOEBONIOSA-N 1 2 325.456 3.558 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)c1ccccc1)CC2 ZINC000474202290 1024574128 /nfs/dbraw/zinc/57/41/28/1024574128.db2.gz SQNVYPSHKWSBQK-GOEBONIOSA-N 1 2 325.456 3.558 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000897879439 1033220871 /nfs/dbraw/zinc/22/08/71/1033220871.db2.gz HBUVOBFJLXKNRC-ZWKOTPCHSA-N 1 2 325.456 3.627 20 0 EHADLO COc1ccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884158 1024589946 /nfs/dbraw/zinc/58/99/46/1024589946.db2.gz FBKXEKBGUSUWGH-RDJZCZTQSA-N 1 2 336.395 3.696 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000346280733 1024596740 /nfs/dbraw/zinc/59/67/40/1024596740.db2.gz KBAGPUPUHSMTJQ-UHFFFAOYSA-N 1 2 348.450 3.674 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2ccccc2C1 ZINC000665397207 1024607924 /nfs/dbraw/zinc/60/79/24/1024607924.db2.gz XJJIGTXYKMWPBO-VQTJNVASSA-N 1 2 345.446 3.605 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2ccccc2C1 ZINC000665397206 1024608286 /nfs/dbraw/zinc/60/82/86/1024608286.db2.gz XJJIGTXYKMWPBO-UXHICEINSA-N 1 2 345.446 3.605 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1ccccc1 ZINC000116393188 1024612406 /nfs/dbraw/zinc/61/24/06/1024612406.db2.gz ATKVGJCSLHVJDU-FZKQIMNGSA-N 1 2 329.444 3.552 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1Sc1ccccc1 ZINC000346350401 1024645236 /nfs/dbraw/zinc/64/52/36/1024645236.db2.gz DWUSQLPXGCPTDV-UHFFFAOYSA-N 1 2 337.448 3.728 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672668 1024650716 /nfs/dbraw/zinc/65/07/16/1024650716.db2.gz XAUDNSYUBXWCRO-OAHLLOKOSA-N 1 2 337.533 3.680 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000664473176 1024660410 /nfs/dbraw/zinc/66/04/10/1024660410.db2.gz REXNSOJDMIMLEV-LJQANCHMSA-N 1 2 336.439 3.920 20 0 EHADLO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333678421 1024702131 /nfs/dbraw/zinc/70/21/31/1024702131.db2.gz DUFPALQSHFQQMG-GOEBONIOSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1Oc1cccnc1 ZINC000514732127 1024708331 /nfs/dbraw/zinc/70/83/31/1024708331.db2.gz BXTPJYBHGXKQBZ-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO c1cn(-c2cccc(-c3noc(CCCC4CCOCC4)n3)c2)c[nH+]1 ZINC000346395314 1024712082 /nfs/dbraw/zinc/71/20/82/1024712082.db2.gz WDAYIUAMBAOMQS-UHFFFAOYSA-N 1 2 338.411 3.672 20 0 EHADLO Oc1ccc([C@@H]2CC[N@H+](Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895667049 1024713173 /nfs/dbraw/zinc/71/31/73/1024713173.db2.gz XBZBPWBAGJEMLP-LLVKDONJSA-N 1 2 328.359 3.857 20 0 EHADLO Oc1ccc([C@@H]2CC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895667049 1024713189 /nfs/dbraw/zinc/71/31/89/1024713189.db2.gz XBZBPWBAGJEMLP-LLVKDONJSA-N 1 2 328.359 3.857 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]1c1cccc(F)c1 ZINC000346434273 1024731189 /nfs/dbraw/zinc/73/11/89/1024731189.db2.gz OLGIGFBIVUXTCP-MRAWALMUSA-N 1 2 327.403 3.578 20 0 EHADLO CCc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccccc2n1 ZINC000544362709 1024734556 /nfs/dbraw/zinc/73/45/56/1024734556.db2.gz HDQORYXXIDDAKX-UHFFFAOYSA-N 1 2 342.402 3.657 20 0 EHADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCOCC2)cc1 ZINC000435241531 1024735857 /nfs/dbraw/zinc/73/58/57/1024735857.db2.gz GMTOLXKWCWKZDC-UHFFFAOYSA-N 1 2 333.435 3.680 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114705345 1024744710 /nfs/dbraw/zinc/74/47/10/1024744710.db2.gz QRMGHRQCLRWEBO-MJGOQNOKSA-N 1 2 343.515 3.893 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114705347 1024745081 /nfs/dbraw/zinc/74/50/81/1024745081.db2.gz QRMGHRQCLRWEBO-IEBWSBKVSA-N 1 2 343.515 3.893 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000346455178 1024748357 /nfs/dbraw/zinc/74/83/57/1024748357.db2.gz MZTGETURKMPWST-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000346455178 1024748363 /nfs/dbraw/zinc/74/83/63/1024748363.db2.gz MZTGETURKMPWST-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277363793 1024758747 /nfs/dbraw/zinc/75/87/47/1024758747.db2.gz FARKREWVCRKRFR-VOIUYBSRSA-N 1 2 343.492 3.705 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277363793 1024758760 /nfs/dbraw/zinc/75/87/60/1024758760.db2.gz FARKREWVCRKRFR-VOIUYBSRSA-N 1 2 343.492 3.705 20 0 EHADLO Cc1nc2ccc(C[NH2+]Cc3nccc(C(F)(F)F)n3)cc2s1 ZINC000514824003 1024768798 /nfs/dbraw/zinc/76/87/98/1024768798.db2.gz KZEWMGMHPDFCEZ-UHFFFAOYSA-N 1 2 338.358 3.703 20 0 EHADLO CC(C)N(Cc1c[nH+]cn1C(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000425331209 1024770283 /nfs/dbraw/zinc/77/02/83/1024770283.db2.gz XNRSHLDNZADDAZ-UHFFFAOYSA-N 1 2 339.443 3.523 20 0 EHADLO COC(=O)[C@@H](NCc1c[nH+]cn1C(C)C)c1ccc2ccccc2c1 ZINC000425336701 1024779940 /nfs/dbraw/zinc/77/99/40/1024779940.db2.gz LORGWPKWKNFRGV-IBGZPJMESA-N 1 2 337.423 3.621 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc2c1OCC2 ZINC000892114119 1024780722 /nfs/dbraw/zinc/78/07/22/1024780722.db2.gz KVDQYOWATSTNAG-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc2c1OCC2 ZINC000892114119 1024780733 /nfs/dbraw/zinc/78/07/33/1024780733.db2.gz KVDQYOWATSTNAG-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO O[C@H]1CCCC[N@@H+](Cc2c(F)cc(Cl)cc2Br)C1 ZINC001141837782 1024783591 /nfs/dbraw/zinc/78/35/91/1024783591.db2.gz QFFOMPBMIPVDGU-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO O[C@H]1CCCC[N@H+](Cc2c(F)cc(Cl)cc2Br)C1 ZINC001141837782 1024783580 /nfs/dbraw/zinc/78/35/80/1024783580.db2.gz QFFOMPBMIPVDGU-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO COc1cncc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)c1 ZINC000343681151 1024789253 /nfs/dbraw/zinc/78/92/53/1024789253.db2.gz FRVNZBMHLWMEHK-UHFFFAOYSA-N 1 2 331.363 3.590 20 0 EHADLO CC(C)n1cncc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000425331892 1024792573 /nfs/dbraw/zinc/79/25/73/1024792573.db2.gz CWDQMJZYXIRVTQ-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC(C)n1cncc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000425331892 1024792583 /nfs/dbraw/zinc/79/25/83/1024792583.db2.gz CWDQMJZYXIRVTQ-UHFFFAOYSA-N 1 2 329.288 3.781 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ccsc2Br)CC1 ZINC000895828529 1024875117 /nfs/dbraw/zinc/87/51/17/1024875117.db2.gz WIQVYPUZKDVDKN-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO COc1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368372 1024882426 /nfs/dbraw/zinc/88/24/26/1024882426.db2.gz WJSSLCYFFCBOOX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368372 1024882439 /nfs/dbraw/zinc/88/24/39/1024882439.db2.gz WJSSLCYFFCBOOX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000435406931 1024886079 /nfs/dbraw/zinc/88/60/79/1024886079.db2.gz WRWZTVZXYXKMFE-HXUWFJFHSA-N 1 2 347.418 3.905 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)ccc2[nH+]1 ZINC000346552601 1024892208 /nfs/dbraw/zinc/89/22/08/1024892208.db2.gz SVUNYNQHAHCJLP-UHFFFAOYSA-N 1 2 345.406 3.714 20 0 EHADLO CC(C)CN(Cc1ccccn1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000895860469 1024904247 /nfs/dbraw/zinc/90/42/47/1024904247.db2.gz ZTKYFPLWSOZBAA-UHFFFAOYSA-N 1 2 338.459 3.639 20 0 EHADLO CC(C)Cc1ccc(C[NH2+]Cc2ncc(Br)s2)cn1 ZINC000895862266 1024906129 /nfs/dbraw/zinc/90/61/29/1024906129.db2.gz XGEGNMCETKPFED-UHFFFAOYSA-N 1 2 340.290 3.789 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000342332498 1024910571 /nfs/dbraw/zinc/91/05/71/1024910571.db2.gz ISLWESTVUFVUAG-UHFFFAOYSA-N 1 2 340.467 3.501 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000342332498 1024910577 /nfs/dbraw/zinc/91/05/77/1024910577.db2.gz ISLWESTVUFVUAG-UHFFFAOYSA-N 1 2 340.467 3.501 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)ccn12 ZINC000514950308 1024926907 /nfs/dbraw/zinc/92/69/07/1024926907.db2.gz NIQPUAIPJBFDLZ-SJLPKXTDSA-N 1 2 333.435 3.736 20 0 EHADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618378 1024930187 /nfs/dbraw/zinc/93/01/87/1024930187.db2.gz YPUMEHPSGZHFOA-GBLZOACLSA-N 1 2 343.421 3.522 20 0 EHADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157521620 1024940480 /nfs/dbraw/zinc/94/04/80/1024940480.db2.gz LBPPEHVOJVBRBZ-ZDUSSCGKSA-N 1 2 348.878 3.907 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000157530630 1024942133 /nfs/dbraw/zinc/94/21/33/1024942133.db2.gz HDJZLAUUBMTZEK-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000157530630 1024942143 /nfs/dbraw/zinc/94/21/43/1024942143.db2.gz HDJZLAUUBMTZEK-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[C@H]1OCC[C@@]12CN(c1cc[nH+]c3c(Cl)cccc13)C[C@@H](C)O2 ZINC000557674245 1024943009 /nfs/dbraw/zinc/94/30/09/1024943009.db2.gz YEOXYIUNURGBTG-SNUQEOBHSA-N 1 2 332.831 3.661 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000607643867 1033247718 /nfs/dbraw/zinc/24/77/18/1033247718.db2.gz JUJAHHSCQBJMIV-AOIWGVFYSA-N 1 2 344.499 3.727 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000326821854 1024956133 /nfs/dbraw/zinc/95/61/33/1024956133.db2.gz XYDCUANPNIFNPI-SFHVURJKSA-N 1 2 336.439 3.972 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)nc1C1CC1 ZINC000425391018 1024977855 /nfs/dbraw/zinc/97/78/55/1024977855.db2.gz ZJLZRZBSMOWFAR-UHFFFAOYSA-N 1 2 346.377 3.622 20 0 EHADLO C[C@H](CC(=O)NC1CCC(C)(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000515062236 1024993310 /nfs/dbraw/zinc/99/33/10/1024993310.db2.gz DJCFZNQQUYPXNW-PPDQVPDSSA-N 1 2 325.456 3.851 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCCOc3ccccc3)c12 ZINC000342347513 1025011616 /nfs/dbraw/zinc/01/16/16/1025011616.db2.gz RYQZRKZZTASYLO-UHFFFAOYSA-N 1 2 345.406 3.697 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc3c2CCCC3)c1C ZINC000346695987 1025022011 /nfs/dbraw/zinc/02/20/11/1025022011.db2.gz JWGHKBYMRIZUNM-UHFFFAOYSA-N 1 2 344.480 3.920 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)n1 ZINC000346724285 1025036914 /nfs/dbraw/zinc/03/69/14/1025036914.db2.gz LGYSUADBTBBEGO-UHFFFAOYSA-N 1 2 344.465 3.828 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4C[C@]4(F)c4ccccc4)n3)[nH+]c12 ZINC000515146092 1025043605 /nfs/dbraw/zinc/04/36/05/1025043605.db2.gz FRGMGUMWHCIUKY-JXFKEZNVSA-N 1 2 348.381 3.969 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1Oc1cccc(F)c1 ZINC000346731413 1025046334 /nfs/dbraw/zinc/04/63/34/1025046334.db2.gz HKQGSNFVHXLUEZ-UHFFFAOYSA-N 1 2 325.343 3.843 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCc2ccccc21 ZINC000520800142 1025060534 /nfs/dbraw/zinc/06/05/34/1025060534.db2.gz HPHTUBRURNBKLA-AZUAARDMSA-N 1 2 345.446 3.778 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000515200640 1025086891 /nfs/dbraw/zinc/08/68/91/1025086891.db2.gz YNIZYHSSDUXGGA-UHFFFAOYSA-N 1 2 349.478 3.934 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000515200640 1025086902 /nfs/dbraw/zinc/08/69/02/1025086902.db2.gz YNIZYHSSDUXGGA-UHFFFAOYSA-N 1 2 349.478 3.934 20 0 EHADLO Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000487413016 1025115652 /nfs/dbraw/zinc/11/56/52/1025115652.db2.gz NPCLRCDNZDVDJW-GOSISDBHSA-N 1 2 347.462 3.943 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000342379846 1025125272 /nfs/dbraw/zinc/12/52/72/1025125272.db2.gz SGCNBGPNYOQNKV-LSDHHAIUSA-N 1 2 346.471 3.896 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000582060422 1025127126 /nfs/dbraw/zinc/12/71/26/1025127126.db2.gz IEKXGQCAITZIHQ-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000582060422 1025127132 /nfs/dbraw/zinc/12/71/32/1025127132.db2.gz IEKXGQCAITZIHQ-KGLIPLIRSA-N 1 2 336.476 3.772 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc2c(c1)CCC=C2 ZINC000342387232 1025150884 /nfs/dbraw/zinc/15/08/84/1025150884.db2.gz PZKXPDNCXJRBMT-UHFFFAOYSA-N 1 2 333.435 3.571 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000515310276 1025153312 /nfs/dbraw/zinc/15/33/12/1025153312.db2.gz POIJRQUDQXDVHS-SFHVURJKSA-N 1 2 335.407 3.629 20 0 EHADLO O=C(NCc1cc(C2CC2)ccc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000515297127 1025158660 /nfs/dbraw/zinc/15/86/60/1025158660.db2.gz IAFCAECMRAIHPQ-UHFFFAOYSA-N 1 2 342.418 3.515 20 0 EHADLO O=C(NCc1cc(C2CC2)ccc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000515297127 1025158666 /nfs/dbraw/zinc/15/86/66/1025158666.db2.gz IAFCAECMRAIHPQ-UHFFFAOYSA-N 1 2 342.418 3.515 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)CCCC(C)C ZINC000474572725 1025159983 /nfs/dbraw/zinc/15/99/83/1025159983.db2.gz FCQINYDBKCANJZ-GFCCVEGCSA-N 1 2 337.414 3.954 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCCOc2c(Cl)cccc21)n1cc[nH+]c1 ZINC000515303349 1025162792 /nfs/dbraw/zinc/16/27/92/1025162792.db2.gz APLZNMRXYDXLOV-WFASDCNBSA-N 1 2 333.819 3.518 20 0 EHADLO COc1ccc2oc([C@@H](C)NC(=O)C[C@H](C)n3cc[nH+]c3)c(C)c2c1 ZINC000515303597 1025163047 /nfs/dbraw/zinc/16/30/47/1025163047.db2.gz IKYMDBAGOQCQRA-GXTWGEPZSA-N 1 2 341.411 3.775 20 0 EHADLO COc1ccncc1-c1noc([C@@H]2CCC[C@@H](c3ccccc3)[NH2+]2)n1 ZINC001211886233 1025169065 /nfs/dbraw/zinc/16/90/65/1025169065.db2.gz XWBRMTKPTWDEJX-HOTGVXAUSA-N 1 2 336.395 3.696 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OC ZINC000277458886 1025179336 /nfs/dbraw/zinc/17/93/36/1025179336.db2.gz QEFKYTLSOLCRNW-KGLIPLIRSA-N 1 2 346.475 3.966 20 0 EHADLO COc1cnc([C@H]2CCC[N@@H+]2CCCc2ccccc2Cl)[nH]c1=O ZINC000934272791 1025204835 /nfs/dbraw/zinc/20/48/35/1025204835.db2.gz LSQVUUOXVYFPGC-OAHLLOKOSA-N 1 2 347.846 3.614 20 0 EHADLO COc1cnc([C@H]2CCC[N@H+]2CCCc2ccccc2Cl)[nH]c1=O ZINC000934272791 1025204844 /nfs/dbraw/zinc/20/48/44/1025204844.db2.gz LSQVUUOXVYFPGC-OAHLLOKOSA-N 1 2 347.846 3.614 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1CCF ZINC000281570741 1025244185 /nfs/dbraw/zinc/24/41/85/1025244185.db2.gz DWFLHCSFYAGWKC-MRXNPFEDSA-N 1 2 334.439 3.523 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c[nH+]1 ZINC000896210390 1025248313 /nfs/dbraw/zinc/24/83/13/1025248313.db2.gz MFROBWULERFMEQ-UHFFFAOYSA-N 1 2 340.471 3.802 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)n(C)c1C ZINC000327670963 1025249739 /nfs/dbraw/zinc/24/97/39/1025249739.db2.gz KJIPUMRZIQWXKC-IBGZPJMESA-N 1 2 338.407 3.592 20 0 EHADLO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccco1 ZINC000521188269 1025253017 /nfs/dbraw/zinc/25/30/17/1025253017.db2.gz VHGCMQHLGKFIHX-MRXNPFEDSA-N 1 2 326.440 3.858 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccco1 ZINC000521188269 1025253026 /nfs/dbraw/zinc/25/30/26/1025253026.db2.gz VHGCMQHLGKFIHX-MRXNPFEDSA-N 1 2 326.440 3.858 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2o1)Cc1ccc(OC)cc1OC ZINC000521192534 1025253855 /nfs/dbraw/zinc/25/38/55/1025253855.db2.gz CCKSSSYXVWOQEU-UHFFFAOYSA-N 1 2 326.396 3.867 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(OC)cc1OC ZINC000521192534 1025253866 /nfs/dbraw/zinc/25/38/66/1025253866.db2.gz CCKSSSYXVWOQEU-UHFFFAOYSA-N 1 2 326.396 3.867 20 0 EHADLO Cc1cc(N2CCC(c3nc4c(s3)CCC4)CC2)nc(C2CC2)[nH+]1 ZINC000896233279 1025269143 /nfs/dbraw/zinc/26/91/43/1025269143.db2.gz RAMSDTGFTOXKIP-UHFFFAOYSA-N 1 2 340.496 3.992 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000435992876 1025279151 /nfs/dbraw/zinc/27/91/51/1025279151.db2.gz IKGVEVIVLCEXLH-MRXNPFEDSA-N 1 2 338.430 3.933 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000892185534 1025280364 /nfs/dbraw/zinc/28/03/64/1025280364.db2.gz NMPVZIKHCMJJRD-MRXNPFEDSA-N 1 2 336.476 3.522 20 0 EHADLO COc1cccc([C@@H](C)CCCc2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000346903074 1025283104 /nfs/dbraw/zinc/28/31/04/1025283104.db2.gz VSNZACGNJRIDKX-AWEZNQCLSA-N 1 2 340.427 3.529 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c(C)nn(C(C)(C)C)c1C ZINC000436018097 1025318025 /nfs/dbraw/zinc/31/80/25/1025318025.db2.gz CFKCNRSJSCHWKY-UHFFFAOYSA-N 1 2 343.450 3.798 20 0 EHADLO COC1(c2noc(C3([NH+](C)C)CC3)n2)CCC(c2ccccc2)CC1 ZINC000896285551 1025318500 /nfs/dbraw/zinc/31/85/00/1025318500.db2.gz CUUXQRXDXGKOLZ-UHFFFAOYSA-N 1 2 341.455 3.820 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@H](Oc2ccccc2)c2ccccc2)n1 ZINC000346927906 1025320289 /nfs/dbraw/zinc/32/02/89/1025320289.db2.gz DCNBCSRKZQQNGC-LJQANCHMSA-N 1 2 346.390 3.562 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759113677 1025320342 /nfs/dbraw/zinc/32/03/42/1025320342.db2.gz OESWWTDWLTUEQU-ZBEGNZNMSA-N 1 2 325.239 3.905 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759113677 1025320351 /nfs/dbraw/zinc/32/03/51/1025320351.db2.gz OESWWTDWLTUEQU-ZBEGNZNMSA-N 1 2 325.239 3.905 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000611577244 1025326177 /nfs/dbraw/zinc/32/61/77/1025326177.db2.gz SXRDKJONIAMNMA-AWEZNQCLSA-N 1 2 345.361 3.545 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000611577244 1025326190 /nfs/dbraw/zinc/32/61/90/1025326190.db2.gz SXRDKJONIAMNMA-AWEZNQCLSA-N 1 2 345.361 3.545 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000515548037 1025339218 /nfs/dbraw/zinc/33/92/18/1025339218.db2.gz CEPLELCOJLPZLI-CQSZACIVSA-N 1 2 326.431 3.728 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000515548037 1025339232 /nfs/dbraw/zinc/33/92/32/1025339232.db2.gz CEPLELCOJLPZLI-CQSZACIVSA-N 1 2 326.431 3.728 20 0 EHADLO Cc1nc(C(C)C)oc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000428252957 1025358347 /nfs/dbraw/zinc/35/83/47/1025358347.db2.gz NFMSDNGCDXLDMZ-JXMROGBWSA-N 1 2 339.483 3.937 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000428252957 1025358362 /nfs/dbraw/zinc/35/83/62/1025358362.db2.gz NFMSDNGCDXLDMZ-JXMROGBWSA-N 1 2 339.483 3.937 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCC1(F)F ZINC000515559653 1025369079 /nfs/dbraw/zinc/36/90/79/1025369079.db2.gz RIYRHMIKABGJFK-LLVKDONJSA-N 1 2 327.325 3.628 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCC1(F)F ZINC000515559653 1025369095 /nfs/dbraw/zinc/36/90/95/1025369095.db2.gz RIYRHMIKABGJFK-LLVKDONJSA-N 1 2 327.325 3.628 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cn2ccsc2n1 ZINC000425468088 1025395082 /nfs/dbraw/zinc/39/50/82/1025395082.db2.gz DLBRIJOYGTYEKK-OAHLLOKOSA-N 1 2 349.500 3.872 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1Cc1cn2ccsc2n1 ZINC000425468088 1025395095 /nfs/dbraw/zinc/39/50/95/1025395095.db2.gz DLBRIJOYGTYEKK-OAHLLOKOSA-N 1 2 349.500 3.872 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@@H]2CCOc3ccccc32)no1)c1ccccc1 ZINC000521508903 1025432325 /nfs/dbraw/zinc/43/23/25/1025432325.db2.gz DNDXKRFGYRDEAC-AEFFLSMTSA-N 1 2 335.407 3.635 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031698 1025436729 /nfs/dbraw/zinc/43/67/29/1025436729.db2.gz FFWNQMTWLBTOAQ-DYVFJYSZSA-N 1 2 345.443 3.685 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031698 1025436736 /nfs/dbraw/zinc/43/67/36/1025436736.db2.gz FFWNQMTWLBTOAQ-DYVFJYSZSA-N 1 2 345.443 3.685 20 0 EHADLO O=C(c1cc(F)ccc1-c1ccoc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375672895 1025443970 /nfs/dbraw/zinc/44/39/70/1025443970.db2.gz NZRKVILGGPFAEX-UHFFFAOYSA-N 1 2 339.370 3.760 20 0 EHADLO Cc1cc(C)c(/C=C\C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000639233566 1025444134 /nfs/dbraw/zinc/44/41/34/1025444134.db2.gz JWRFUWZTQLGIHI-RDBXKPKDSA-N 1 2 347.524 3.526 20 0 EHADLO Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000639233566 1025444139 /nfs/dbraw/zinc/44/41/39/1025444139.db2.gz JWRFUWZTQLGIHI-RDBXKPKDSA-N 1 2 347.524 3.526 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000347055306 1025451114 /nfs/dbraw/zinc/45/11/14/1025451114.db2.gz NQUBHAOIPDVEQE-IBGZPJMESA-N 1 2 349.400 3.768 20 0 EHADLO COc1cccc2c(NCCCN(C)CC(F)(F)F)cc[nH+]c12 ZINC000436181827 1025453872 /nfs/dbraw/zinc/45/38/72/1025453872.db2.gz OPDGOKGCRCWQNC-UHFFFAOYSA-N 1 2 327.350 3.540 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000442742903 1025461261 /nfs/dbraw/zinc/46/12/61/1025461261.db2.gz JIFCHBCHVQDGDS-INIZCTEOSA-N 1 2 347.418 3.729 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474786292 1025482981 /nfs/dbraw/zinc/48/29/81/1025482981.db2.gz YYSNYMQYIJLPIH-DOMZBBRYSA-N 1 2 335.398 3.708 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000665453361 1025489323 /nfs/dbraw/zinc/48/93/23/1025489323.db2.gz KCPBHGFOZQXXSU-HZPDHXFCSA-N 1 2 330.476 3.802 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)[nH]n1 ZINC000442803690 1025500092 /nfs/dbraw/zinc/50/00/92/1025500092.db2.gz ULJNSWZMSKBICK-OAHLLOKOSA-N 1 2 339.361 3.610 20 0 EHADLO FC(F)(F)c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)[nH]n1 ZINC000442803690 1025500102 /nfs/dbraw/zinc/50/01/02/1025500102.db2.gz ULJNSWZMSKBICK-OAHLLOKOSA-N 1 2 339.361 3.610 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(-c2ccccc2)o1 ZINC000347111625 1025516825 /nfs/dbraw/zinc/51/68/25/1025516825.db2.gz OJGJGGDCCNPARA-UHFFFAOYSA-N 1 2 335.407 3.752 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c(C)c1 ZINC000657365139 1025536317 /nfs/dbraw/zinc/53/63/17/1025536317.db2.gz GEWVMBLCMPJDLS-SFHVURJKSA-N 1 2 335.394 3.885 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccco1 ZINC000530269771 1025554878 /nfs/dbraw/zinc/55/48/78/1025554878.db2.gz ZIGUTIGINDTFNL-BZUAXINKSA-N 1 2 327.428 3.708 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3CCC(CCO)CC3)cs2)cc1 ZINC000521657713 1025573985 /nfs/dbraw/zinc/57/39/85/1025573985.db2.gz XLXBYCQWECRTMJ-UHFFFAOYSA-N 1 2 346.496 3.625 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530281667 1025590761 /nfs/dbraw/zinc/59/07/61/1025590761.db2.gz GSTBZHRLKDCWAQ-PBHICJAKSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530281667 1025590775 /nfs/dbraw/zinc/59/07/75/1025590775.db2.gz GSTBZHRLKDCWAQ-PBHICJAKSA-N 1 2 337.467 3.750 20 0 EHADLO CC(C)CCOCCNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000515780466 1025590431 /nfs/dbraw/zinc/59/04/31/1025590431.db2.gz GRVRGPWYOQZGNJ-HNNXBMFYSA-N 1 2 340.895 3.512 20 0 EHADLO CC(C)CCOCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000515780466 1025590456 /nfs/dbraw/zinc/59/04/56/1025590456.db2.gz GRVRGPWYOQZGNJ-HNNXBMFYSA-N 1 2 340.895 3.512 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530281669 1025591734 /nfs/dbraw/zinc/59/17/34/1025591734.db2.gz GSTBZHRLKDCWAQ-WMLDXEAASA-N 1 2 337.467 3.750 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530281669 1025591747 /nfs/dbraw/zinc/59/17/47/1025591747.db2.gz GSTBZHRLKDCWAQ-WMLDXEAASA-N 1 2 337.467 3.750 20 0 EHADLO CCCc1cnc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530290244 1025596631 /nfs/dbraw/zinc/59/66/31/1025596631.db2.gz GIPOSHPPNCIIOK-LLVKDONJSA-N 1 2 332.473 3.686 20 0 EHADLO CCCc1cnc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530290244 1025596640 /nfs/dbraw/zinc/59/66/40/1025596640.db2.gz GIPOSHPPNCIIOK-LLVKDONJSA-N 1 2 332.473 3.686 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281891769 1025640363 /nfs/dbraw/zinc/64/03/63/1025640363.db2.gz DWFDAVQFJBAXPC-OAHLLOKOSA-N 1 2 343.858 3.893 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200657 1025642153 /nfs/dbraw/zinc/64/21/53/1025642153.db2.gz NVGVAGDXFQMSKO-DYVFJYSZSA-N 1 2 329.831 3.757 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200657 1025642157 /nfs/dbraw/zinc/64/21/57/1025642157.db2.gz NVGVAGDXFQMSKO-DYVFJYSZSA-N 1 2 329.831 3.757 20 0 EHADLO CC(C)n1cccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000121689389 1025645537 /nfs/dbraw/zinc/64/55/37/1025645537.db2.gz ZXROTYWBIUFDPS-UHFFFAOYSA-N 1 2 340.471 3.774 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000530365778 1025710369 /nfs/dbraw/zinc/71/03/69/1025710369.db2.gz SXWOBMVDEKNZMA-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469762721 1025736905 /nfs/dbraw/zinc/73/69/05/1025736905.db2.gz YZKLDAAKYLVNIK-XDNAFOTISA-N 1 2 332.492 3.692 20 0 EHADLO C[C@@H](CC(=O)N(C)c1nc2cccc(Cl)c2s1)n1cc[nH+]c1 ZINC000521881151 1025747102 /nfs/dbraw/zinc/74/71/02/1025747102.db2.gz RSWAKCRRLPZEBR-JTQLQIEISA-N 1 2 334.832 3.760 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282332 1025755630 /nfs/dbraw/zinc/75/56/30/1025755630.db2.gz LFKSOFIQSWMRLD-MJGOQNOKSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282332 1025755640 /nfs/dbraw/zinc/75/56/40/1025755640.db2.gz LFKSOFIQSWMRLD-MJGOQNOKSA-N 1 2 349.833 3.649 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@@H]1C ZINC000451283808 1025757949 /nfs/dbraw/zinc/75/79/49/1025757949.db2.gz GSIWWPPJADSDKX-RYRKJORJSA-N 1 2 343.515 3.998 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](C(C)C)Nc4ccccc43)ccn12 ZINC000655392185 1025764900 /nfs/dbraw/zinc/76/49/00/1025764900.db2.gz SBNWZOYNFXIHQR-QGZVFWFLSA-N 1 2 334.423 3.740 20 0 EHADLO CCO[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000436494823 1025776719 /nfs/dbraw/zinc/77/67/19/1025776719.db2.gz OEPHIEQDXNKVSF-KRWDZBQOSA-N 1 2 327.428 3.906 20 0 EHADLO CCCOc1cccc2c(NC[C@@H]3CCCN(C(C)=O)C3)cc[nH+]c12 ZINC000281954874 1025777986 /nfs/dbraw/zinc/77/79/86/1025777986.db2.gz SKLNULLIURQLFT-INIZCTEOSA-N 1 2 341.455 3.694 20 0 EHADLO Cc1cc(N2CC(c3nc(-c4ccccc4)no3)C2)nc(C2CCC2)[nH+]1 ZINC000896648334 1025784785 /nfs/dbraw/zinc/78/47/85/1025784785.db2.gz ZTFSMPVVGFSILU-UHFFFAOYSA-N 1 2 347.422 3.706 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000051583683 1025809560 /nfs/dbraw/zinc/80/95/60/1025809560.db2.gz GBRFYXKVHOIMRX-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000521943464 1025812603 /nfs/dbraw/zinc/81/26/03/1025812603.db2.gz BGOVWJKUMBGKAA-MSOLQXFVSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000521943464 1025812626 /nfs/dbraw/zinc/81/26/26/1025812626.db2.gz BGOVWJKUMBGKAA-MSOLQXFVSA-N 1 2 347.409 3.540 20 0 EHADLO CC(C)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)c(O)c1 ZINC000436530135 1025837439 /nfs/dbraw/zinc/83/74/39/1025837439.db2.gz BFSODVREHQITMV-UHFFFAOYSA-N 1 2 327.428 3.533 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)c(C)c[nH+]1 ZINC000530441120 1025843497 /nfs/dbraw/zinc/84/34/97/1025843497.db2.gz ZQMUXPQZIGEKOH-GFCCVEGCSA-N 1 2 327.359 3.888 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccoc2C2CC2)c1)[NH+]1CCOCC1 ZINC000281981919 1025845057 /nfs/dbraw/zinc/84/50/57/1025845057.db2.gz UBZOKBCWYWTUFW-AWEZNQCLSA-N 1 2 340.423 3.803 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(O)cc2)no1)c1cccc(Cl)c1 ZINC000436563465 1025890136 /nfs/dbraw/zinc/89/01/36/1025890136.db2.gz HJWMKCCIBWLCKC-HNNXBMFYSA-N 1 2 329.787 3.747 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nccn2C(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000657393469 1025893497 /nfs/dbraw/zinc/89/34/97/1025893497.db2.gz AHDNXCNYIHKEPI-SFHVURJKSA-N 1 2 343.471 3.620 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(F)c1 ZINC000443313217 1025902150 /nfs/dbraw/zinc/90/21/50/1025902150.db2.gz PMRHYWOPTRAEMR-OAHLLOKOSA-N 1 2 348.462 3.885 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(F)c1 ZINC000443313217 1025902165 /nfs/dbraw/zinc/90/21/65/1025902165.db2.gz PMRHYWOPTRAEMR-OAHLLOKOSA-N 1 2 348.462 3.885 20 0 EHADLO CCC(CC)(COCc1ccccc1)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896908320 1025908878 /nfs/dbraw/zinc/90/88/78/1025908878.db2.gz ZJIDTNYNHODXRO-UHFFFAOYSA-N 1 2 343.471 3.666 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443323040 1025913214 /nfs/dbraw/zinc/91/32/14/1025913214.db2.gz VNSQVDCYJBNHFO-SNVBAGLBSA-N 1 2 343.294 3.609 20 0 EHADLO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1cc2cccc(F)c2o1 ZINC000530491242 1025933814 /nfs/dbraw/zinc/93/38/14/1025933814.db2.gz WVNVUMMBRANPKY-LLVKDONJSA-N 1 2 326.375 3.523 20 0 EHADLO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1cc2cccc(F)c2o1 ZINC000530491242 1025933831 /nfs/dbraw/zinc/93/38/31/1025933831.db2.gz WVNVUMMBRANPKY-LLVKDONJSA-N 1 2 326.375 3.523 20 0 EHADLO Cc1[nH]c(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)[nH+]c1C ZINC000896910700 1025942410 /nfs/dbraw/zinc/94/24/10/1025942410.db2.gz SWGQKPGDOFZJQO-UHFFFAOYSA-N 1 2 347.462 3.744 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000436617759 1025949052 /nfs/dbraw/zinc/94/90/52/1025949052.db2.gz JJCAWMNDDLMUSL-KBXCAEBGSA-N 1 2 341.455 3.744 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C[C@@H](C)O2 ZINC000342512039 1025988534 /nfs/dbraw/zinc/98/85/34/1025988534.db2.gz HCXQEYIVUMOSKC-MRXNPFEDSA-N 1 2 347.418 3.668 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001167567289 1025992755 /nfs/dbraw/zinc/99/27/55/1025992755.db2.gz CNNOACHVZSSJBM-OAGGEKHMSA-N 1 2 349.475 3.699 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001167567289 1025992767 /nfs/dbraw/zinc/99/27/67/1025992767.db2.gz CNNOACHVZSSJBM-OAGGEKHMSA-N 1 2 349.475 3.699 20 0 EHADLO Cc1ccnc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)c1 ZINC000516114272 1026001809 /nfs/dbraw/zinc/00/18/09/1026001809.db2.gz AZBCMAMZCNOVJT-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO CCC(CC)c1nnc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000522965490 1026009540 /nfs/dbraw/zinc/00/95/40/1026009540.db2.gz JVSDCCJGHPSUNZ-UHFFFAOYSA-N 1 2 343.456 3.579 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C(F)F)c1 ZINC000684836366 1026010370 /nfs/dbraw/zinc/01/03/70/1026010370.db2.gz VRSZSQUKZWJIOI-UKPHBRMFSA-N 1 2 327.415 3.921 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)no1 ZINC000451506158 1026027057 /nfs/dbraw/zinc/02/70/57/1026027057.db2.gz UIIRSRFIENHUCK-HZPDHXFCSA-N 1 2 329.444 3.667 20 0 EHADLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(Cl)cs2)C1 ZINC000828043628 1026027019 /nfs/dbraw/zinc/02/70/19/1026027019.db2.gz BFHQRXWYFBGGJZ-UHFFFAOYSA-N 1 2 346.843 3.620 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCCc3cccnc3)c12 ZINC000443434320 1026037762 /nfs/dbraw/zinc/03/77/62/1026037762.db2.gz HQBYEKAFFBLHAS-UHFFFAOYSA-N 1 2 346.203 3.608 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152423119 1026053907 /nfs/dbraw/zinc/05/39/07/1026053907.db2.gz ANWQQKWTTVGDCH-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1occc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152423119 1026053921 /nfs/dbraw/zinc/05/39/21/1026053921.db2.gz ANWQQKWTTVGDCH-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814132 1026061917 /nfs/dbraw/zinc/06/19/17/1026061917.db2.gz ZZIUSASECQZBGB-NEPJUHHUSA-N 1 2 326.227 3.772 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@H]2CC2(Cl)Cl)no1)c1ccccc1 ZINC000896814132 1026061935 /nfs/dbraw/zinc/06/19/35/1026061935.db2.gz ZZIUSASECQZBGB-NEPJUHHUSA-N 1 2 326.227 3.772 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000934417211 1026069685 /nfs/dbraw/zinc/06/96/85/1026069685.db2.gz QXKXVDWGZOBCGA-ZDUSSCGKSA-N 1 2 339.395 3.649 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000934417211 1026069701 /nfs/dbraw/zinc/06/97/01/1026069701.db2.gz QXKXVDWGZOBCGA-ZDUSSCGKSA-N 1 2 339.395 3.649 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000329611564 1026074449 /nfs/dbraw/zinc/07/44/49/1026074449.db2.gz RKYOHBAUAXUYAJ-SWLSCSKDSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000329611564 1026074469 /nfs/dbraw/zinc/07/44/69/1026074469.db2.gz RKYOHBAUAXUYAJ-SWLSCSKDSA-N 1 2 333.819 3.624 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC000511109673 1026079629 /nfs/dbraw/zinc/07/96/29/1026079629.db2.gz OSWGLCLICOEGHI-LJQANCHMSA-N 1 2 347.409 3.807 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)[nH+]c1C ZINC000895193861 1026090946 /nfs/dbraw/zinc/09/09/46/1026090946.db2.gz VNMSWZQWHSCKMN-MRXNPFEDSA-N 1 2 334.427 3.528 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)OC(C)(C)C)CC3)c2c1 ZINC000103469010 1026092295 /nfs/dbraw/zinc/09/22/95/1026092295.db2.gz WCENKENBOYYRCI-UHFFFAOYSA-N 1 2 342.439 3.607 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)OC(C)(C)C)CC3)c2c1 ZINC000103469010 1026092312 /nfs/dbraw/zinc/09/23/12/1026092312.db2.gz WCENKENBOYYRCI-UHFFFAOYSA-N 1 2 342.439 3.607 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCC[C@@H]3C)cn2c1 ZINC000042463912 1026092435 /nfs/dbraw/zinc/09/24/35/1026092435.db2.gz GYWPCYWFUILQJF-HOCLYGCPSA-N 1 2 331.485 3.571 20 0 EHADLO O=S(=O)(CC1CCCCC1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000475008852 1026094457 /nfs/dbraw/zinc/09/44/57/1026094457.db2.gz PHIDZXFPPOPDJQ-UHFFFAOYSA-N 1 2 344.480 3.998 20 0 EHADLO Cc1c(Br)cncc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000657413168 1026099577 /nfs/dbraw/zinc/09/95/77/1026099577.db2.gz MLLZWAULHKNUOU-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CC34CCCC4)n2)c1 ZINC000530634001 1026140273 /nfs/dbraw/zinc/14/02/73/1026140273.db2.gz HDUCJVJBXZXVRS-QGZVFWFLSA-N 1 2 339.439 3.617 20 0 EHADLO Fc1cc(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)c(F)cn1 ZINC000896946026 1026140994 /nfs/dbraw/zinc/14/09/94/1026140994.db2.gz NLROCHCGQZKWEI-UHFFFAOYSA-N 1 2 349.450 3.760 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(O)c1 ZINC000436755804 1026146925 /nfs/dbraw/zinc/14/69/25/1026146925.db2.gz AATJQDFHDDONQO-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccccc2o1 ZINC000530627952 1026154662 /nfs/dbraw/zinc/15/46/62/1026154662.db2.gz ZITXRSZSJVOPPV-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2ccccc2o1 ZINC000530627952 1026154667 /nfs/dbraw/zinc/15/46/67/1026154667.db2.gz ZITXRSZSJVOPPV-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C[C@@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091539 1026308565 /nfs/dbraw/zinc/30/85/65/1026308565.db2.gz UFRRDEAIWVFORA-UZLBHIALSA-N 1 2 349.434 3.829 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C[C@@H]2COc3ccccc32)no1)c1ccccc1 ZINC000897091539 1026308581 /nfs/dbraw/zinc/30/85/81/1026308581.db2.gz UFRRDEAIWVFORA-UZLBHIALSA-N 1 2 349.434 3.829 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847906 1026340836 /nfs/dbraw/zinc/34/08/36/1026340836.db2.gz YYFCFIWGFJCVHB-YFHUEUNASA-N 1 2 330.472 3.985 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847906 1026340850 /nfs/dbraw/zinc/34/08/50/1026340850.db2.gz YYFCFIWGFJCVHB-YFHUEUNASA-N 1 2 330.472 3.985 20 0 EHADLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2nccs2)nc[nH+]1 ZINC000413491121 1026354256 /nfs/dbraw/zinc/35/42/56/1026354256.db2.gz YPAYJCINRLITGV-WOSRLPQWSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1 ZINC000413491121 1026354267 /nfs/dbraw/zinc/35/42/67/1026354267.db2.gz YPAYJCINRLITGV-WOSRLPQWSA-N 1 2 347.488 3.722 20 0 EHADLO c1cn(-c2ccc(-c3nc([C@@H]4CCOC5(CCC5)C4)no3)cc2)c[nH+]1 ZINC000897105098 1026354519 /nfs/dbraw/zinc/35/45/19/1026354519.db2.gz SCLABKBKTXNKED-OAHLLOKOSA-N 1 2 336.395 3.739 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000119841740 1026365448 /nfs/dbraw/zinc/36/54/48/1026365448.db2.gz RWZHTKBXTFHCDP-LJQANCHMSA-N 1 2 325.456 3.561 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000119841740 1026365456 /nfs/dbraw/zinc/36/54/56/1026365456.db2.gz RWZHTKBXTFHCDP-LJQANCHMSA-N 1 2 325.456 3.561 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110046 1026370642 /nfs/dbraw/zinc/37/06/42/1026370642.db2.gz DACCMJRUZHYAAS-DLBZAZTESA-N 1 2 341.455 3.927 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110046 1026370654 /nfs/dbraw/zinc/37/06/54/1026370654.db2.gz DACCMJRUZHYAAS-DLBZAZTESA-N 1 2 341.455 3.927 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907739 1026372479 /nfs/dbraw/zinc/37/24/79/1026372479.db2.gz MREZXAUCXSZVHD-GXTWGEPZSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907739 1026372489 /nfs/dbraw/zinc/37/24/89/1026372489.db2.gz MREZXAUCXSZVHD-GXTWGEPZSA-N 1 2 348.434 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3c(c2)CCC=C3)c1C ZINC000342589710 1026387383 /nfs/dbraw/zinc/38/73/83/1026387383.db2.gz UWLHHKNWYBAVEU-UHFFFAOYSA-N 1 2 336.435 3.939 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)o1 ZINC000451962623 1026398816 /nfs/dbraw/zinc/39/88/16/1026398816.db2.gz WXHHSIACUFNYIL-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO Cc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000024691030 1026434781 /nfs/dbraw/zinc/43/47/81/1026434781.db2.gz CVMMERMTWFEXBL-UHFFFAOYSA-N 1 2 334.423 3.604 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451997673 1026441731 /nfs/dbraw/zinc/44/17/31/1026441731.db2.gz RJELIRURRPHHDH-WCQYABFASA-N 1 2 344.286 3.790 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451997673 1026441735 /nfs/dbraw/zinc/44/17/35/1026441735.db2.gz RJELIRURRPHHDH-WCQYABFASA-N 1 2 344.286 3.790 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000122438652 1026466296 /nfs/dbraw/zinc/46/62/96/1026466296.db2.gz LGQFSPQAYRDOOQ-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000122438652 1026466302 /nfs/dbraw/zinc/46/63/02/1026466302.db2.gz LGQFSPQAYRDOOQ-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nc(C3CCCC3)no2)c2cccs2)CCC1 ZINC000452057720 1026469742 /nfs/dbraw/zinc/46/97/42/1026469742.db2.gz GQVCTHKKHBOPNG-INIZCTEOSA-N 1 2 347.484 3.782 20 0 EHADLO CCCOc1ccc(C[N@H+](C)Cc2ccnn2C)c(OCCC)c1 ZINC000475334148 1026499702 /nfs/dbraw/zinc/49/97/02/1026499702.db2.gz NTYBABCOAIXGAY-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)Cc2ccnn2C)c(OCCC)c1 ZINC000475334148 1026499703 /nfs/dbraw/zinc/49/97/03/1026499703.db2.gz NTYBABCOAIXGAY-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159144702 1026500706 /nfs/dbraw/zinc/50/07/06/1026500706.db2.gz ALBZWPLCLFKPFK-MRXNPFEDSA-N 1 2 342.443 3.759 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(F)c1 ZINC000167915731 1026566077 /nfs/dbraw/zinc/56/60/77/1026566077.db2.gz QLDUYAYOKCVPBM-WBMJQRKESA-N 1 2 332.423 3.735 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684912201 1026571170 /nfs/dbraw/zinc/57/11/70/1026571170.db2.gz RNTCBZNBNQVNFA-MRXNPFEDSA-N 1 2 328.460 3.534 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC(F)(F)C1 ZINC000452211188 1026577138 /nfs/dbraw/zinc/57/71/38/1026577138.db2.gz YHMWECGNZKDGFW-NSHDSACASA-N 1 2 339.773 3.577 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccccc2)C2CC2)c1C ZINC000051755180 1026585364 /nfs/dbraw/zinc/58/53/64/1026585364.db2.gz HLNMGNLBZSHEDS-UHFFFAOYSA-N 1 2 339.439 3.581 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccccc2F)on1 ZINC000128325928 1026602015 /nfs/dbraw/zinc/60/20/15/1026602015.db2.gz ARPSXQZSOCLBKY-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc3c(cc2F)CCC3=O)C1 ZINC001227756422 1026648039 /nfs/dbraw/zinc/64/80/39/1026648039.db2.gz CGNIQPBNFDEIRF-DZGCQCFKSA-N 1 2 340.398 3.564 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc3c(cc2F)CCC3=O)C1 ZINC001227756422 1026648048 /nfs/dbraw/zinc/64/80/48/1026648048.db2.gz CGNIQPBNFDEIRF-DZGCQCFKSA-N 1 2 340.398 3.564 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000452321242 1026654029 /nfs/dbraw/zinc/65/40/29/1026654029.db2.gz YFTRLIBDUWHEEB-HIFRSBDPSA-N 1 2 343.446 3.963 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000452321242 1026654034 /nfs/dbraw/zinc/65/40/34/1026654034.db2.gz YFTRLIBDUWHEEB-HIFRSBDPSA-N 1 2 343.446 3.963 20 0 EHADLO C[C@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccnn1C ZINC000192960917 1026655168 /nfs/dbraw/zinc/65/51/68/1026655168.db2.gz MITTZIXUGKWQSO-SCLBCKFNSA-N 1 2 326.831 3.909 20 0 EHADLO Cc1ccc(C(=O)CCCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452334500 1026668159 /nfs/dbraw/zinc/66/81/59/1026668159.db2.gz NEJJMIJHSADSKY-UHFFFAOYSA-N 1 2 339.439 3.910 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000301184332 1026715101 /nfs/dbraw/zinc/71/51/01/1026715101.db2.gz RBJCHHBFEZVQKM-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO C[NH+](C)[C@@H](CNc1ncnc2ccccc21)c1c(F)cccc1F ZINC000301249504 1026738178 /nfs/dbraw/zinc/73/81/78/1026738178.db2.gz BTKNZKSKPZZYEN-INIZCTEOSA-N 1 2 328.366 3.623 20 0 EHADLO Cc1ccnc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000301251013 1026739215 /nfs/dbraw/zinc/73/92/15/1026739215.db2.gz BMEMOFYBWSKMBQ-UHFFFAOYSA-N 1 2 325.441 3.617 20 0 EHADLO Cc1ccnc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000301251013 1026739228 /nfs/dbraw/zinc/73/92/28/1026739228.db2.gz BMEMOFYBWSKMBQ-UHFFFAOYSA-N 1 2 325.441 3.617 20 0 EHADLO Nc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc[nH+]1 ZINC000193059173 1026835379 /nfs/dbraw/zinc/83/53/79/1026835379.db2.gz IMKUJMOLHQLBLD-UHFFFAOYSA-N 1 2 349.419 3.797 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccnc(C(C)(C)C)n1)c1c(F)cccc1F ZINC000301607692 1026871579 /nfs/dbraw/zinc/87/15/79/1026871579.db2.gz ZKQJRJGGGWGIMP-AWEZNQCLSA-N 1 2 334.414 3.767 20 0 EHADLO C[NH+](C)[C@H](CNc1nnc(C(C)(C)C)s1)c1c(F)cccc1F ZINC000301715586 1026912944 /nfs/dbraw/zinc/91/29/44/1026912944.db2.gz GRIGOKJVGZNOPO-GFCCVEGCSA-N 1 2 340.443 3.829 20 0 EHADLO COc1cc(OC)cc([C@@H](O)CNc2[nH+]c3ccccc3cc2C)c1 ZINC000301743942 1026923376 /nfs/dbraw/zinc/92/33/76/1026923376.db2.gz ZORISKMQGDKWJJ-IBGZPJMESA-N 1 2 338.407 3.706 20 0 EHADLO Nc1nc(NCc2ccc(F)cc2C(F)(F)F)[nH+]c2ccccc12 ZINC000301853939 1026966005 /nfs/dbraw/zinc/96/60/05/1026966005.db2.gz CEUFUHOIRIDSRH-UHFFFAOYSA-N 1 2 336.292 3.982 20 0 EHADLO Nc1nc(N2CC[C@H](Oc3ccccc3Cl)C2)[nH+]c2ccccc12 ZINC000301879915 1026977013 /nfs/dbraw/zinc/97/70/13/1026977013.db2.gz HTKOUHCPASRHEX-LBPRGKRZSA-N 1 2 340.814 3.523 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCOc2ccc(F)cc21 ZINC000301883660 1026977722 /nfs/dbraw/zinc/97/77/22/1026977722.db2.gz LEILHMYHNMGLKQ-CQSZACIVSA-N 1 2 341.390 3.656 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000301898228 1026985764 /nfs/dbraw/zinc/98/57/64/1026985764.db2.gz RWDXBTRTOXAVEQ-QMTHXVAHSA-N 1 2 343.381 3.828 20 0 EHADLO CCc1ncnc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1F ZINC000301909656 1026990370 /nfs/dbraw/zinc/99/03/70/1026990370.db2.gz FTJGDIGYRXMSID-CYBMUJFWSA-N 1 2 348.853 3.715 20 0 EHADLO Nc1nc(N2CC[C@H](Oc3cccc(Cl)c3)C2)[nH+]c2ccccc12 ZINC000301922326 1026994987 /nfs/dbraw/zinc/99/49/87/1026994987.db2.gz XTSLHOUEMILJNU-AWEZNQCLSA-N 1 2 340.814 3.523 20 0 EHADLO Fc1cccc2c1OCCC[C@@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000302020698 1027025805 /nfs/dbraw/zinc/02/58/05/1027025805.db2.gz DRIYUFLOSFRSOT-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1cccc2c1OCCC[C@@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000302020698 1027025808 /nfs/dbraw/zinc/02/58/08/1027025808.db2.gz DRIYUFLOSFRSOT-HNNXBMFYSA-N 1 2 328.391 3.763 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@@H](c4nccs4)C3)nc[nH+]2)C1 ZINC000302074291 1027044444 /nfs/dbraw/zinc/04/44/44/1027044444.db2.gz VODXTMQJOPIVGF-LSDHHAIUSA-N 1 2 343.500 3.553 20 0 EHADLO C[C@H]1CCCN(c2cc(N3CCC[C@@H](c4nccs4)C3)[nH+]cn2)C1 ZINC000302074291 1027044451 /nfs/dbraw/zinc/04/44/51/1027044451.db2.gz VODXTMQJOPIVGF-LSDHHAIUSA-N 1 2 343.500 3.553 20 0 EHADLO CCC1(CC)CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC[S@@]1=O ZINC000302219848 1027093961 /nfs/dbraw/zinc/09/39/61/1027093961.db2.gz MJASTODIQMGHJS-QHCPKHFHSA-N 1 2 337.533 3.851 20 0 EHADLO C[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1n1cc[nH+]c1 ZINC000125775414 1027121258 /nfs/dbraw/zinc/12/12/58/1027121258.db2.gz GSZCFTDFBXARME-GGEQCSGTSA-N 1 2 327.472 3.509 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000302497325 1027170633 /nfs/dbraw/zinc/17/06/33/1027170633.db2.gz BRRPWZOWTBDKEX-SWLSCSKDSA-N 1 2 331.382 3.804 20 0 EHADLO Cc1cc(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000075555124 1027171551 /nfs/dbraw/zinc/17/15/51/1027171551.db2.gz IPMIVGPLERIVPR-INIZCTEOSA-N 1 2 341.455 3.627 20 0 EHADLO COc1cccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)c1 ZINC000075615304 1027180845 /nfs/dbraw/zinc/18/08/45/1027180845.db2.gz ZJIUSGGAINYZOF-UHFFFAOYSA-N 1 2 332.469 3.752 20 0 EHADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)c1 ZINC000075615304 1027180851 /nfs/dbraw/zinc/18/08/51/1027180851.db2.gz ZJIUSGGAINYZOF-UHFFFAOYSA-N 1 2 332.469 3.752 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)[nH+]1 ZINC000123355421 1027186169 /nfs/dbraw/zinc/18/61/69/1027186169.db2.gz GMLIDGILOVVPAP-DIFFPNOSSA-N 1 2 337.423 3.854 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc(C)nn1 ZINC000414429651 1027202347 /nfs/dbraw/zinc/20/23/47/1027202347.db2.gz COUWIENZPVIVJY-HNNXBMFYSA-N 1 2 346.272 3.884 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc(C)nn1 ZINC000414429651 1027202362 /nfs/dbraw/zinc/20/23/62/1027202362.db2.gz COUWIENZPVIVJY-HNNXBMFYSA-N 1 2 346.272 3.884 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)c(F)c2)cc1 ZINC000428348774 1027218106 /nfs/dbraw/zinc/21/81/06/1027218106.db2.gz ABNPUIJXNRKESY-KRWDZBQOSA-N 1 2 349.409 3.742 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000076051429 1027231516 /nfs/dbraw/zinc/23/15/16/1027231516.db2.gz HFGVQAYUYVVTSJ-TZMCWYRMSA-N 1 2 332.835 3.713 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126949204 1027255474 /nfs/dbraw/zinc/25/54/74/1027255474.db2.gz HLRMGBRLOFOPLD-GOSISDBHSA-N 1 2 341.503 3.927 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126949204 1027255488 /nfs/dbraw/zinc/25/54/88/1027255488.db2.gz HLRMGBRLOFOPLD-GOSISDBHSA-N 1 2 341.503 3.927 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000273102485 1027268526 /nfs/dbraw/zinc/26/85/26/1027268526.db2.gz IXIQLXVLFLFUQF-WBVHZDCISA-N 1 2 335.407 3.866 20 0 EHADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)on1 ZINC000531723197 1027271218 /nfs/dbraw/zinc/27/12/18/1027271218.db2.gz FJPVKMPKUGRTQW-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2ccc(C)nn2)C3)cs1 ZINC000414436466 1027280069 /nfs/dbraw/zinc/28/00/69/1027280069.db2.gz SRSSHIIAOHMVPM-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2ccc(C)nn2)C3)cs1 ZINC000414436466 1027280079 /nfs/dbraw/zinc/28/00/79/1027280079.db2.gz SRSSHIIAOHMVPM-UHFFFAOYSA-N 1 2 342.493 3.837 20 0 EHADLO Fc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)c(C(F)(F)F)c1 ZINC000302767750 1027281507 /nfs/dbraw/zinc/28/15/07/1027281507.db2.gz AYZQDVHLDAMCOR-UHFFFAOYSA-N 1 2 340.324 3.847 20 0 EHADLO Fc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)c(C(F)(F)F)c1 ZINC000302767750 1027281519 /nfs/dbraw/zinc/28/15/19/1027281519.db2.gz AYZQDVHLDAMCOR-UHFFFAOYSA-N 1 2 340.324 3.847 20 0 EHADLO Cc1ccc([C@H](C)N(C)c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302793870 1027294231 /nfs/dbraw/zinc/29/42/31/1027294231.db2.gz NLDCJSPIDDGYTL-HNNXBMFYSA-N 1 2 328.485 3.536 20 0 EHADLO Cc1ccc([C@H](C)N(C)c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302793870 1027294242 /nfs/dbraw/zinc/29/42/42/1027294242.db2.gz NLDCJSPIDDGYTL-HNNXBMFYSA-N 1 2 328.485 3.536 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248449181 1027298207 /nfs/dbraw/zinc/29/82/07/1027298207.db2.gz ICPYPAKDLMGZLA-IUODEOHRSA-N 1 2 333.407 3.721 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248449181 1027298219 /nfs/dbraw/zinc/29/82/19/1027298219.db2.gz ICPYPAKDLMGZLA-IUODEOHRSA-N 1 2 333.407 3.721 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(N5CCCC5)[nH+]cn4)C3)nc2c1 ZINC000302805073 1027303786 /nfs/dbraw/zinc/30/37/86/1027303786.db2.gz WMLLZQRLHJAQPN-OAHLLOKOSA-N 1 2 349.438 3.602 20 0 EHADLO c1ccc2oc([C@@H]3CCCN(c4cc(N5CCCC5)nc[nH+]4)C3)nc2c1 ZINC000302805073 1027303808 /nfs/dbraw/zinc/30/38/08/1027303808.db2.gz WMLLZQRLHJAQPN-OAHLLOKOSA-N 1 2 349.438 3.602 20 0 EHADLO CC(C)c1noc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804810 1027304842 /nfs/dbraw/zinc/30/48/42/1027304842.db2.gz FHTAISVFBANQBN-KBPBESRZSA-N 1 2 338.814 3.843 20 0 EHADLO CC(C)c1noc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804810 1027304860 /nfs/dbraw/zinc/30/48/60/1027304860.db2.gz FHTAISVFBANQBN-KBPBESRZSA-N 1 2 338.814 3.843 20 0 EHADLO CC1(C)C[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)c2ccccc21 ZINC000302847466 1027322659 /nfs/dbraw/zinc/32/26/59/1027322659.db2.gz OLYPWRGGYBPQJW-INIZCTEOSA-N 1 2 340.496 3.864 20 0 EHADLO CC1(C)C[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)c2ccccc21 ZINC000302847466 1027322676 /nfs/dbraw/zinc/32/26/76/1027322676.db2.gz OLYPWRGGYBPQJW-INIZCTEOSA-N 1 2 340.496 3.864 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)o1 ZINC000657569099 1027326937 /nfs/dbraw/zinc/32/69/37/1027326937.db2.gz MSOZOWJRNZLRKV-ZBEGNZNMSA-N 1 2 326.375 3.781 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncnn21 ZINC000657568741 1027328913 /nfs/dbraw/zinc/32/89/13/1027328913.db2.gz LGOJADIHDKFSMV-QPUJVOFHSA-N 1 2 330.741 3.746 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1ccc(Cl)cc1 ZINC000302897048 1027348700 /nfs/dbraw/zinc/34/87/00/1027348700.db2.gz PGJDOYKEDFRCGR-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1ccc(Cl)cc1 ZINC000302897048 1027348715 /nfs/dbraw/zinc/34/87/15/1027348715.db2.gz PGJDOYKEDFRCGR-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO c1nc(N2CCC[C@H]2C2CCCCC2)cc(N2CCSCC2)[nH+]1 ZINC000302897771 1027349020 /nfs/dbraw/zinc/34/90/20/1027349020.db2.gz PPIRMDIGECRETO-INIZCTEOSA-N 1 2 332.517 3.579 20 0 EHADLO c1nc(N2CCSCC2)cc(N2CCC[C@H]2C2CCCCC2)[nH+]1 ZINC000302897771 1027349038 /nfs/dbraw/zinc/34/90/38/1027349038.db2.gz PPIRMDIGECRETO-INIZCTEOSA-N 1 2 332.517 3.579 20 0 EHADLO CCOc1nnc(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)s1 ZINC000076733066 1027349422 /nfs/dbraw/zinc/34/94/22/1027349422.db2.gz MFMBBKMZMDXXLW-LLVKDONJSA-N 1 2 325.865 3.653 20 0 EHADLO CCOc1nnc(C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)s1 ZINC000076733066 1027349436 /nfs/dbraw/zinc/34/94/36/1027349436.db2.gz MFMBBKMZMDXXLW-LLVKDONJSA-N 1 2 325.865 3.653 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NCCCC2CCCCC2)on1 ZINC000076994146 1027372345 /nfs/dbraw/zinc/37/23/45/1027372345.db2.gz CUNPVLLFKDAXBA-QGZVFWFLSA-N 1 2 333.476 3.597 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NCCCC2CCCCC2)on1 ZINC000076994146 1027372360 /nfs/dbraw/zinc/37/23/60/1027372360.db2.gz CUNPVLLFKDAXBA-QGZVFWFLSA-N 1 2 333.476 3.597 20 0 EHADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000513716703 1027379954 /nfs/dbraw/zinc/37/99/54/1027379954.db2.gz GRGNSTIZNITKKM-LJQANCHMSA-N 1 2 330.859 3.980 20 0 EHADLO CN(C)c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000513716703 1027379974 /nfs/dbraw/zinc/37/99/74/1027379974.db2.gz GRGNSTIZNITKKM-LJQANCHMSA-N 1 2 330.859 3.980 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)o1 ZINC000171234900 1027402293 /nfs/dbraw/zinc/40/22/93/1027402293.db2.gz OMTKSQZKIOGEHN-VQIMIIECSA-N 1 2 326.440 3.992 20 0 EHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)o1 ZINC000171234906 1027402312 /nfs/dbraw/zinc/40/23/12/1027402312.db2.gz OMTKSQZKIOGEHN-QFBILLFUSA-N 1 2 326.440 3.992 20 0 EHADLO Cc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1Br ZINC000273383310 1027403271 /nfs/dbraw/zinc/40/32/71/1027403271.db2.gz TYVZTHCDIXXXRE-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3ccco3)n2)C1 ZINC000054277837 1027403959 /nfs/dbraw/zinc/40/39/59/1027403959.db2.gz FHRASHNJULZIMF-YBJDMEARSA-N 1 2 331.441 3.620 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3ccco3)n2)C1 ZINC000054277837 1027403982 /nfs/dbraw/zinc/40/39/82/1027403982.db2.gz FHRASHNJULZIMF-YBJDMEARSA-N 1 2 331.441 3.620 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1cnn(C)c1 ZINC000273400398 1027410403 /nfs/dbraw/zinc/41/04/03/1027410403.db2.gz QVLPUOBJULKQLH-GFCCVEGCSA-N 1 2 346.887 3.972 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446707 1027418129 /nfs/dbraw/zinc/41/81/29/1027418129.db2.gz OYXJQNIBNNBYFZ-SFHVURJKSA-N 1 2 349.521 3.624 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446707 1027418132 /nfs/dbraw/zinc/41/81/32/1027418132.db2.gz OYXJQNIBNNBYFZ-SFHVURJKSA-N 1 2 349.521 3.624 20 0 EHADLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459301226 1027425767 /nfs/dbraw/zinc/42/57/67/1027425767.db2.gz RFDFKEQQMKCDCL-UHFFFAOYSA-N 1 2 342.874 3.638 20 0 EHADLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000128525376 1027448567 /nfs/dbraw/zinc/44/85/67/1027448567.db2.gz BJVLQLJHWUSOBN-GOSISDBHSA-N 1 2 337.398 3.821 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccc(F)cc2)on1 ZINC000128612799 1027457202 /nfs/dbraw/zinc/45/72/02/1027457202.db2.gz DVIBGIHDMDJFPW-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)C[C@@H](c1nc(Cc2ccc(F)cc2F)no1)n1cc[nH+]c1 ZINC000923822053 1027482906 /nfs/dbraw/zinc/48/29/06/1027482906.db2.gz RDXDNZUSVNVBES-HNNXBMFYSA-N 1 2 332.354 3.771 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000128819968 1027484163 /nfs/dbraw/zinc/48/41/63/1027484163.db2.gz JIJRWYKVJAHGHQ-CYBMUJFWSA-N 1 2 334.872 3.921 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000657584616 1027496869 /nfs/dbraw/zinc/49/68/69/1027496869.db2.gz UOTDEPPTCGPIRA-UHFFFAOYSA-N 1 2 340.311 3.534 20 0 EHADLO Cc1cc(C(=O)COc2cc[nH+]cc2)c(C)n1Cc1cccs1 ZINC000431484178 1027502823 /nfs/dbraw/zinc/50/28/23/1027502823.db2.gz CILMKQRSTSPLBC-UHFFFAOYSA-N 1 2 326.421 3.871 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000273582095 1027503232 /nfs/dbraw/zinc/50/32/32/1027503232.db2.gz HBPHHSXRRQGYSE-STQMWFEESA-N 1 2 346.500 3.956 20 0 EHADLO CC(C)c1ccc(Cc2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)cc1 ZINC000420483671 1027549150 /nfs/dbraw/zinc/54/91/50/1027549150.db2.gz WCQRUJVIVRJSDX-QGZVFWFLSA-N 1 2 329.444 3.566 20 0 EHADLO CC(C)c1ccc(Cc2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)cc1 ZINC000420483671 1027549154 /nfs/dbraw/zinc/54/91/54/1027549154.db2.gz WCQRUJVIVRJSDX-QGZVFWFLSA-N 1 2 329.444 3.566 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)s1 ZINC000273675784 1027553298 /nfs/dbraw/zinc/55/32/98/1027553298.db2.gz JIASIPAJWMUHIN-RYUDHWBXSA-N 1 2 332.473 3.648 20 0 EHADLO Cc1ccc([C@@H](c2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495182 1027564538 /nfs/dbraw/zinc/56/45/38/1027564538.db2.gz BKZRDJHFMNHARD-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccc([C@@H](c2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495182 1027564547 /nfs/dbraw/zinc/56/45/47/1027564547.db2.gz BKZRDJHFMNHARD-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000153220731 1027575800 /nfs/dbraw/zinc/57/58/00/1027575800.db2.gz MKHBJANGZSLASM-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO CC[C@@](C)(NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000664252462 1027599171 /nfs/dbraw/zinc/59/91/71/1027599171.db2.gz OOHNJMYRFXQHBZ-FXAWDEMLSA-N 1 2 340.471 3.582 20 0 EHADLO COc1cc(OC)c(NC(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000454234325 1027599728 /nfs/dbraw/zinc/59/97/28/1027599728.db2.gz PDQFCUMWACYWRW-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO Cc1cc(C)cc(C2(c3noc([C@H]4C[N@H+](C(C)C)CCO4)n3)CC2)c1 ZINC000420500620 1027603435 /nfs/dbraw/zinc/60/34/35/1027603435.db2.gz LZDIBKVOLBTVFY-QGZVFWFLSA-N 1 2 341.455 3.548 20 0 EHADLO Cc1cc(C)cc(C2(c3noc([C@H]4C[N@@H+](C(C)C)CCO4)n3)CC2)c1 ZINC000420500620 1027603448 /nfs/dbraw/zinc/60/34/48/1027603448.db2.gz LZDIBKVOLBTVFY-QGZVFWFLSA-N 1 2 341.455 3.548 20 0 EHADLO COCCC[C@@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273768447 1027611082 /nfs/dbraw/zinc/61/10/82/1027611082.db2.gz PNPJHHKZNDACNY-CQSZACIVSA-N 1 2 326.400 3.512 20 0 EHADLO CCc1noc(C)c1C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000119203892 1027619044 /nfs/dbraw/zinc/61/90/44/1027619044.db2.gz JCUJCUZWRBUSGW-QGZVFWFLSA-N 1 2 344.455 3.735 20 0 EHADLO CCc1noc(C)c1C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000119203892 1027619052 /nfs/dbraw/zinc/61/90/52/1027619052.db2.gz JCUJCUZWRBUSGW-QGZVFWFLSA-N 1 2 344.455 3.735 20 0 EHADLO Cc1ccccc1Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000273796145 1027629451 /nfs/dbraw/zinc/62/94/51/1027629451.db2.gz VNZXANCBPGUNHW-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO Cc1ccccc1Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000273796145 1027629459 /nfs/dbraw/zinc/62/94/59/1027629459.db2.gz VNZXANCBPGUNHW-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1cccc(OC)c1 ZINC000657613441 1027630077 /nfs/dbraw/zinc/63/00/77/1027630077.db2.gz VJHSIAJHNSKXLT-OAHLLOKOSA-N 1 2 334.485 3.927 20 0 EHADLO Cc1cc(CNC(=O)N2CC(c3cccc(Cl)c3)C2)cc(C)[nH+]1 ZINC000422219536 1027656460 /nfs/dbraw/zinc/65/64/60/1027656460.db2.gz ZSLHRYBTESHWDY-UHFFFAOYSA-N 1 2 329.831 3.661 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H]([C@@H]4CCOC4)C3)cc[nH+]c12 ZINC000501958980 1027666773 /nfs/dbraw/zinc/66/67/73/1027666773.db2.gz ROWOYLSGMNLTQM-HZPDHXFCSA-N 1 2 326.440 3.886 20 0 EHADLO C[NH2+]Cc1noc([C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000414645348 1027670058 /nfs/dbraw/zinc/67/00/58/1027670058.db2.gz QQWKZUVSRHCHPK-BXUZGUMPSA-N 1 2 342.226 3.731 20 0 EHADLO Cc1cn2cc(NC(=O)Nc3nc4c(s3)CCCC4)ccc2[nH+]1 ZINC000664255992 1027672129 /nfs/dbraw/zinc/67/21/29/1027672129.db2.gz RGVXZIQIWAHXBA-UHFFFAOYSA-N 1 2 327.413 3.622 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130511357 1027676820 /nfs/dbraw/zinc/67/68/20/1027676820.db2.gz DNZBAUQTEOFJGW-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)n1 ZINC000503244213 1027682889 /nfs/dbraw/zinc/68/28/89/1027682889.db2.gz KCIKVKVMSQNCOT-UHFFFAOYSA-N 1 2 336.439 3.939 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)CCC(C)(C)C)cn2c1 ZINC001627454636 1027699697 /nfs/dbraw/zinc/69/96/97/1027699697.db2.gz NCYOFECPEYKTCS-UHFFFAOYSA-N 1 2 333.501 3.771 20 0 EHADLO Cc1c(Cl)nc(-c2ccccc2)nc1NCc1cc[nH+]c(N)c1 ZINC001167617396 1027715264 /nfs/dbraw/zinc/71/52/64/1027715264.db2.gz PKNSQZIBSIUYFG-UHFFFAOYSA-N 1 2 325.803 3.695 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@@H](C)c2c(F)cccc2F)cc(C)[nH+]1 ZINC000420841708 1027784207 /nfs/dbraw/zinc/78/42/07/1027784207.db2.gz CSVNVDAFVVJWSX-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000342872982 1027785959 /nfs/dbraw/zinc/78/59/59/1027785959.db2.gz QLCWGJCAJIMTLQ-QRWLVFNGSA-N 1 2 349.434 3.768 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000420850490 1027795103 /nfs/dbraw/zinc/79/51/03/1027795103.db2.gz VLPYLAHCAGRQLS-HUUCEWRRSA-N 1 2 343.393 3.866 20 0 EHADLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131835892 1027826123 /nfs/dbraw/zinc/82/61/23/1027826123.db2.gz YNZOQOJEKBTENZ-ICSRJNTNSA-N 1 2 347.418 3.522 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000347337846 1027826997 /nfs/dbraw/zinc/82/69/97/1027826997.db2.gz HAHXTFLZJIENMG-SFHVURJKSA-N 1 2 337.423 3.510 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000347337846 1027827010 /nfs/dbraw/zinc/82/70/10/1027827010.db2.gz HAHXTFLZJIENMG-SFHVURJKSA-N 1 2 337.423 3.510 20 0 EHADLO CCC(CC)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000131922197 1027841933 /nfs/dbraw/zinc/84/19/33/1027841933.db2.gz TYXZSOQFJDTNSR-CQSZACIVSA-N 1 2 345.874 3.931 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922314 1027870272 /nfs/dbraw/zinc/87/02/72/1027870272.db2.gz FHQBCUBCTZDZPK-KGLIPLIRSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922314 1027870291 /nfs/dbraw/zinc/87/02/91/1027870291.db2.gz FHQBCUBCTZDZPK-KGLIPLIRSA-N 1 2 336.476 3.914 20 0 EHADLO c1nc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c(-c2ccccc2)o1 ZINC000359990400 1027890213 /nfs/dbraw/zinc/89/02/13/1027890213.db2.gz BGYHJFRLTKXCIF-INIZCTEOSA-N 1 2 341.436 3.939 20 0 EHADLO CCOCCC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000132222833 1027899459 /nfs/dbraw/zinc/89/94/59/1027899459.db2.gz GBTVLEFATRODHM-UHFFFAOYSA-N 1 2 327.428 3.798 20 0 EHADLO Cc1cc(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c[nH+]1 ZINC000536618247 1027934510 /nfs/dbraw/zinc/93/45/10/1027934510.db2.gz HKCZIRQWAABROW-QWHCGFSZSA-N 1 2 329.366 3.611 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+][C@@]3(CO)CCc4ccccc43)o2)cc1 ZINC000132530261 1027934745 /nfs/dbraw/zinc/93/47/45/1027934745.db2.gz JTYIRYVDHWNXRE-OAQYLSRUSA-N 1 2 334.419 3.574 20 0 EHADLO Cc1ocnc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000277929914 1027964207 /nfs/dbraw/zinc/96/42/07/1027964207.db2.gz DFPUJWNNXAXSLF-CQSZACIVSA-N 1 2 328.347 3.509 20 0 EHADLO Cc1ocnc1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000277929914 1027964226 /nfs/dbraw/zinc/96/42/26/1027964226.db2.gz DFPUJWNNXAXSLF-CQSZACIVSA-N 1 2 328.347 3.509 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1nnc2n1CCCCC2 ZINC000268870316 1027980164 /nfs/dbraw/zinc/98/01/64/1027980164.db2.gz UEZZEPIGAWJSOK-GDBMZVCRSA-N 1 2 330.480 3.584 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@]34CCOC4)cs2)cc1 ZINC000421007933 1027987146 /nfs/dbraw/zinc/98/71/46/1027987146.db2.gz ANAULVYPDKIXLS-GOSISDBHSA-N 1 2 330.453 3.574 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@]34CCOC4)cs2)cc1 ZINC000421007933 1027987161 /nfs/dbraw/zinc/98/71/61/1027987161.db2.gz ANAULVYPDKIXLS-GOSISDBHSA-N 1 2 330.453 3.574 20 0 EHADLO CCCn1ncnc1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367151803 1028038236 /nfs/dbraw/zinc/03/82/36/1028038236.db2.gz RFAHLZHLGSWPGU-GOSISDBHSA-N 1 2 334.414 3.750 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000455324036 1028040882 /nfs/dbraw/zinc/04/08/82/1028040882.db2.gz LGJHMHCYJSZPHZ-QGZVFWFLSA-N 1 2 334.423 3.918 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H](CC(F)(F)F)C3)ccc2[nH+]1 ZINC000421062161 1028044997 /nfs/dbraw/zinc/04/49/97/1028044997.db2.gz YZHKCQQHXKKKCT-GFCCVEGCSA-N 1 2 340.349 3.839 20 0 EHADLO CCOc1ccc(F)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1F ZINC000421080195 1028087253 /nfs/dbraw/zinc/08/72/53/1028087253.db2.gz DJELGLZAJGSXLL-UHFFFAOYSA-N 1 2 335.354 3.697 20 0 EHADLO Cc1cccc(C)c1C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000444636972 1028089666 /nfs/dbraw/zinc/08/96/66/1028089666.db2.gz OVOVQIVLRACNRO-MRXNPFEDSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1cccc(C)c1C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000444636972 1028089682 /nfs/dbraw/zinc/08/96/82/1028089682.db2.gz OVOVQIVLRACNRO-MRXNPFEDSA-N 1 2 329.465 3.839 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2cccs2)cc1)C1CC1 ZINC000444654094 1028117550 /nfs/dbraw/zinc/11/75/50/1028117550.db2.gz XUNIDPYUQSANHW-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CC1 ZINC000444654094 1028117560 /nfs/dbraw/zinc/11/75/60/1028117560.db2.gz XUNIDPYUQSANHW-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000353663556 1028132136 /nfs/dbraw/zinc/13/21/36/1028132136.db2.gz CUOLFUNFTSWHHU-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)c(C)[nH+]1 ZINC000455472118 1028205547 /nfs/dbraw/zinc/20/55/47/1028205547.db2.gz BTXWIGWDZNTXNK-MAUKXSAKSA-N 1 2 341.455 3.683 20 0 EHADLO Cc1csc(CSCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000421227319 1028212533 /nfs/dbraw/zinc/21/25/33/1028212533.db2.gz QGJBIVHGZAXUQQ-UHFFFAOYSA-N 1 2 334.510 3.717 20 0 EHADLO Cc1sc2nc(C[N@H+](C)Cc3ccc(F)c(C)c3)nc(N)c2c1C ZINC000444740675 1028225382 /nfs/dbraw/zinc/22/53/82/1028225382.db2.gz GKJOIWHLLJLKHK-UHFFFAOYSA-N 1 2 344.459 3.970 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)Cc3ccc(F)c(C)c3)nc(N)c2c1C ZINC000444740675 1028225398 /nfs/dbraw/zinc/22/53/98/1028225398.db2.gz GKJOIWHLLJLKHK-UHFFFAOYSA-N 1 2 344.459 3.970 20 0 EHADLO Cc1ccc(Br)c(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000414508414 1028239013 /nfs/dbraw/zinc/23/90/13/1028239013.db2.gz BCSGCRWQYPFDSQ-UHFFFAOYSA-N 1 2 330.176 3.639 20 0 EHADLO CCOC(=O)c1cnn2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc12 ZINC001213086263 1028249918 /nfs/dbraw/zinc/24/99/18/1028249918.db2.gz LAFSSQQGSZVWRW-UHFFFAOYSA-N 1 2 347.378 3.645 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423213321 1028257112 /nfs/dbraw/zinc/25/71/12/1028257112.db2.gz JRYCZMMJYKHRSU-GFCCVEGCSA-N 1 2 325.412 3.795 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)s1 ZINC000136591074 1028258020 /nfs/dbraw/zinc/25/80/20/1028258020.db2.gz CTJQNZFUSASOLQ-LLVKDONJSA-N 1 2 338.502 3.574 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)s1 ZINC000136591074 1028258036 /nfs/dbraw/zinc/25/80/36/1028258036.db2.gz CTJQNZFUSASOLQ-LLVKDONJSA-N 1 2 338.502 3.574 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502502166 1028263941 /nfs/dbraw/zinc/26/39/41/1028263941.db2.gz XQWANIJGVVEKTP-HOTGVXAUSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000502502166 1028263954 /nfs/dbraw/zinc/26/39/54/1028263954.db2.gz XQWANIJGVVEKTP-HOTGVXAUSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ncsc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388415 1028270150 /nfs/dbraw/zinc/27/01/50/1028270150.db2.gz NSYKVFKRQXSUBM-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO FC(F)(F)c1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414510609 1028271394 /nfs/dbraw/zinc/27/13/94/1028271394.db2.gz VPMCHKKIIRJBOM-UHFFFAOYSA-N 1 2 335.251 3.804 20 0 EHADLO CSCc1cc(F)ccc1C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421339306 1028281071 /nfs/dbraw/zinc/28/10/71/1028281071.db2.gz RKVZXRHDXBBKRN-UHFFFAOYSA-N 1 2 327.856 3.674 20 0 EHADLO Clc1ccc(OCCOc2cc[nH+]cc2)c(Br)c1 ZINC000431507221 1028320255 /nfs/dbraw/zinc/32/02/55/1028320255.db2.gz LZKIXCNCTAHGPO-UHFFFAOYSA-N 1 2 328.593 3.955 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)c(F)c1F ZINC000056524159 1028329173 /nfs/dbraw/zinc/32/91/73/1028329173.db2.gz NTJQCCIYJRMVOH-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)C(C)C)CC2)c1 ZINC000473545476 1028358809 /nfs/dbraw/zinc/35/88/09/1028358809.db2.gz BJGSZUOQKWEBIC-INIZCTEOSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)nn1C ZINC000421389766 1028364929 /nfs/dbraw/zinc/36/49/29/1028364929.db2.gz YJLMRRGOACEAAU-NSHDSACASA-N 1 2 347.825 3.558 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)c(Br)cn1 ZINC000582962903 1028383518 /nfs/dbraw/zinc/38/35/18/1028383518.db2.gz XVVFDDNGFLRJQT-QMMMGPOBSA-N 1 2 349.154 3.560 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)no1 ZINC000536634675 1028406508 /nfs/dbraw/zinc/40/65/08/1028406508.db2.gz PQIDAFHTIKKHIF-UHFFFAOYSA-N 1 2 347.159 3.637 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000069070296 1028418074 /nfs/dbraw/zinc/41/80/74/1028418074.db2.gz OKBHMFSXGAQWEY-CRAIPNDOSA-N 1 2 326.440 3.808 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000069070296 1028418087 /nfs/dbraw/zinc/41/80/87/1028418087.db2.gz OKBHMFSXGAQWEY-CRAIPNDOSA-N 1 2 326.440 3.808 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000079025991 1028420669 /nfs/dbraw/zinc/42/06/69/1028420669.db2.gz MRMIMOWRLXZVAG-VQIMIIECSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000070695577 1028458527 /nfs/dbraw/zinc/45/85/27/1028458527.db2.gz ROBCGAWVQDYBEN-AUUYWEPGSA-N 1 2 343.398 3.654 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000070695577 1028458532 /nfs/dbraw/zinc/45/85/32/1028458532.db2.gz ROBCGAWVQDYBEN-AUUYWEPGSA-N 1 2 343.398 3.654 20 0 EHADLO O[C@@]1(C2CC2)CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000664351588 1028460383 /nfs/dbraw/zinc/46/03/83/1028460383.db2.gz PDUXJFFEEPKHCQ-KRWDZBQOSA-N 1 2 336.357 3.995 20 0 EHADLO C[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1(F)F ZINC000421493004 1028476512 /nfs/dbraw/zinc/47/65/12/1028476512.db2.gz BGIAQDBHAPVZNI-QGZVFWFLSA-N 1 2 329.350 3.586 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000475926762 1028511798 /nfs/dbraw/zinc/51/17/98/1028511798.db2.gz OICHEDHPHASXSQ-HUUCEWRRSA-N 1 2 349.544 3.772 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000475926762 1028511810 /nfs/dbraw/zinc/51/18/10/1028511810.db2.gz OICHEDHPHASXSQ-HUUCEWRRSA-N 1 2 349.544 3.772 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)[nH+]1 ZINC000072751077 1028517959 /nfs/dbraw/zinc/51/79/59/1028517959.db2.gz YWDCHYWKKPPSJD-VIFPVBQESA-N 1 2 347.831 3.924 20 0 EHADLO CCCCc1noc(COc2cc(C)[nH+]c3ccc(OC)cc32)n1 ZINC000504257281 1028524933 /nfs/dbraw/zinc/52/49/33/1028524933.db2.gz DHWUFGYXEJZYLI-UHFFFAOYSA-N 1 2 327.384 3.856 20 0 EHADLO c1nn(-c2ccccc2)nc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000065613793 1028540281 /nfs/dbraw/zinc/54/02/81/1028540281.db2.gz YWXMHJUGDVTUAJ-UHFFFAOYSA-N 1 2 348.450 3.558 20 0 EHADLO c1c[nH]c([C@H]([NH2+]CCOc2ccc3ccccc3c2)c2cccnc2)n1 ZINC000194974376 1028568078 /nfs/dbraw/zinc/56/80/78/1028568078.db2.gz WRHAEWXVPMAADS-HXUWFJFHSA-N 1 2 344.418 3.716 20 0 EHADLO Cc1cccc(-c2cccc(CNc3[nH+]cnc4c3cnn4C)c2)c1 ZINC000502723511 1028598449 /nfs/dbraw/zinc/59/84/49/1028598449.db2.gz BWMZVCYCCRKSAC-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523749496 1028601087 /nfs/dbraw/zinc/60/10/87/1028601087.db2.gz AKAXPIJOEXKMPE-UHFFFAOYSA-N 1 2 328.460 3.840 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cnc1F ZINC000894285813 1028606998 /nfs/dbraw/zinc/60/69/98/1028606998.db2.gz QUNXDDFQOCIQSL-IBGZPJMESA-N 1 2 349.450 3.505 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cnc1F ZINC000894285813 1028607005 /nfs/dbraw/zinc/60/70/05/1028607005.db2.gz QUNXDDFQOCIQSL-IBGZPJMESA-N 1 2 349.450 3.505 20 0 EHADLO Cc1ncc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)o1 ZINC000628196924 1028631760 /nfs/dbraw/zinc/63/17/60/1028631760.db2.gz IVGQPXVSPDYYMG-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO Cc1ncc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)o1 ZINC000628196924 1028631772 /nfs/dbraw/zinc/63/17/72/1028631772.db2.gz IVGQPXVSPDYYMG-UHFFFAOYSA-N 1 2 328.441 3.684 20 0 EHADLO COc1ccc([C@H]2CCCN2c2nc(N)c3ccccc3[nH+]2)cc1F ZINC000664367881 1028650714 /nfs/dbraw/zinc/65/07/14/1028650714.db2.gz MXWSMAGPECNFIU-MRXNPFEDSA-N 1 2 338.386 3.701 20 0 EHADLO COc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1Br ZINC000583056161 1028693860 /nfs/dbraw/zinc/69/38/60/1028693860.db2.gz FPOOJNMEOQSSRF-UHFFFAOYSA-N 1 2 332.188 3.689 20 0 EHADLO CC1(C)CC[C@H](CNC(=O)CCCn2cc[nH+]c2)c2ccccc21 ZINC000091764534 1028715106 /nfs/dbraw/zinc/71/51/06/1028715106.db2.gz YJOQMKMEYVULEL-MRXNPFEDSA-N 1 2 325.456 3.635 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1SCCc2ccccc21 ZINC000079450666 1028732111 /nfs/dbraw/zinc/73/21/11/1028732111.db2.gz VKCNGHFVHHPKKH-GOSISDBHSA-N 1 2 335.432 3.841 20 0 EHADLO CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454321973 1028740392 /nfs/dbraw/zinc/74/03/92/1028740392.db2.gz CCOLTGKRAFRKAD-OALUTQOASA-N 1 2 340.471 3.557 20 0 EHADLO Fc1c(F)c(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1F ZINC000749556427 1028743832 /nfs/dbraw/zinc/74/38/32/1028743832.db2.gz BFLAHGUQTZSCAF-VHSXEESVSA-N 1 2 335.316 3.631 20 0 EHADLO Fc1c(F)c(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1F ZINC000749556427 1028743846 /nfs/dbraw/zinc/74/38/46/1028743846.db2.gz BFLAHGUQTZSCAF-VHSXEESVSA-N 1 2 335.316 3.631 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000091810744 1028749867 /nfs/dbraw/zinc/74/98/67/1028749867.db2.gz CYOVCTFKTSSKRQ-CQSZACIVSA-N 1 2 343.324 3.612 20 0 EHADLO CC[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454310684 1028751760 /nfs/dbraw/zinc/75/17/60/1028751760.db2.gz GNOWNFLFRNLLAP-RBUKOAKNSA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000454313219 1028753615 /nfs/dbraw/zinc/75/36/15/1028753615.db2.gz HSLFNHPBORKSSZ-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247324402 1028777720 /nfs/dbraw/zinc/77/77/20/1028777720.db2.gz GELOJBNIZCBFAZ-FRQCXROJSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)oc2cc1C ZINC000122964428 1028781472 /nfs/dbraw/zinc/78/14/72/1028781472.db2.gz CROYWXBHYMDFTB-SUMWQHHRSA-N 1 2 337.423 3.969 20 0 EHADLO FC(F)(F)Oc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414551990 1028782209 /nfs/dbraw/zinc/78/22/09/1028782209.db2.gz GCHRTWABFNSKCD-UHFFFAOYSA-N 1 2 329.347 3.604 20 0 EHADLO CCC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000454328936 1028783994 /nfs/dbraw/zinc/78/39/94/1028783994.db2.gz RTGXHKDLALMYJT-INIZCTEOSA-N 1 2 332.492 3.564 20 0 EHADLO Fc1ccc(Cc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1F ZINC000445443874 1028797931 /nfs/dbraw/zinc/79/79/31/1028797931.db2.gz UKADWHLHISBGHJ-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1SCCc2sccc21 ZINC000079516941 1028807472 /nfs/dbraw/zinc/80/74/72/1028807472.db2.gz NJRNNGXREIMCSR-INIZCTEOSA-N 1 2 341.461 3.903 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532760712 1028807738 /nfs/dbraw/zinc/80/77/38/1028807738.db2.gz FUHIATAOHFCYOK-ZDUSSCGKSA-N 1 2 330.428 3.936 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532760712 1028807755 /nfs/dbraw/zinc/80/77/55/1028807755.db2.gz FUHIATAOHFCYOK-ZDUSSCGKSA-N 1 2 330.428 3.936 20 0 EHADLO O=C(CCc1cccs1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000247762711 1028816721 /nfs/dbraw/zinc/81/67/21/1028816721.db2.gz IIODPTLGMSOIDK-UHFFFAOYSA-N 1 2 341.436 3.595 20 0 EHADLO COC(=O)c1occc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000247829774 1028817389 /nfs/dbraw/zinc/81/73/89/1028817389.db2.gz KUZYHTGCCYMWRZ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1occc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000247829774 1028817403 /nfs/dbraw/zinc/81/74/03/1028817403.db2.gz KUZYHTGCCYMWRZ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO Cc1cc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc[nH+]1 ZINC000075936825 1028823614 /nfs/dbraw/zinc/82/36/14/1028823614.db2.gz HQGYEXUVMOLKGP-UHFFFAOYSA-N 1 2 340.358 3.541 20 0 EHADLO COC(=O)CCCc1nc(C[N@@H+]2CCCC3(C2)CCCCCC3)no1 ZINC000075968354 1028827735 /nfs/dbraw/zinc/82/77/35/1028827735.db2.gz UEMJDXHCFHXFQE-UHFFFAOYSA-N 1 2 349.475 3.502 20 0 EHADLO COC(=O)CCCc1nc(C[N@H+]2CCCC3(C2)CCCCCC3)no1 ZINC000075968354 1028827754 /nfs/dbraw/zinc/82/77/54/1028827754.db2.gz UEMJDXHCFHXFQE-UHFFFAOYSA-N 1 2 349.475 3.502 20 0 EHADLO CC(C)n1cncc1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000424145695 1028833355 /nfs/dbraw/zinc/83/33/55/1028833355.db2.gz OFAUYGLXTVSWBZ-UHFFFAOYSA-N 1 2 340.496 3.996 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccncc1Cl ZINC000421818713 1028838334 /nfs/dbraw/zinc/83/83/34/1028838334.db2.gz CCJLURUYLNAXHU-SNVBAGLBSA-N 1 2 345.752 3.922 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3cc[nH+]c(N4CCCC4)c3)coc2c1 ZINC000026926604 1028845643 /nfs/dbraw/zinc/84/56/43/1028845643.db2.gz GBMAIYCRGXPEBK-UHFFFAOYSA-N 1 2 349.434 3.595 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc(C3CC3)s2)C2CC2)c(F)c1 ZINC000421855294 1028845904 /nfs/dbraw/zinc/84/59/04/1028845904.db2.gz MEAVCFQXZQACOK-MRXNPFEDSA-N 1 2 333.432 3.804 20 0 EHADLO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664380039 1028860836 /nfs/dbraw/zinc/86/08/36/1028860836.db2.gz UYUJKQWDNURRSA-YCPHGPKFSA-N 1 2 348.516 3.687 20 0 EHADLO CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)NCc1c[nH+]cn1C ZINC000458819199 1028872228 /nfs/dbraw/zinc/87/22/28/1028872228.db2.gz VGGRTZGQQQISNR-SFHVURJKSA-N 1 2 348.878 3.530 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3C3CCC3)cn2c1 ZINC000343061749 1028879145 /nfs/dbraw/zinc/87/91/45/1028879145.db2.gz HRFQCIZOLYKRBR-QGZVFWFLSA-N 1 2 343.496 3.667 20 0 EHADLO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502950762 1028889735 /nfs/dbraw/zinc/88/97/35/1028889735.db2.gz MRAHOGWPJFQGLP-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO Cc1cccc(C)c1C[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445541916 1028901577 /nfs/dbraw/zinc/90/15/77/1028901577.db2.gz VHFSBSCZBYDPQM-XMMPIXPASA-N 1 2 338.476 3.997 20 0 EHADLO Cc1cn2cc(NC(=O)NCCOC3CCCCCC3)ccc2[nH+]1 ZINC000524129488 1028910921 /nfs/dbraw/zinc/91/09/21/1028910921.db2.gz VQHRHQLJVGUPKT-UHFFFAOYSA-N 1 2 330.432 3.504 20 0 EHADLO c1nc(-c2noc(C[NH+](Cc3ccccc3)Cc3ccccc3)n2)co1 ZINC000445555271 1028915262 /nfs/dbraw/zinc/91/52/62/1028915262.db2.gz AUTFXHZQFRFWAR-UHFFFAOYSA-N 1 2 346.390 3.927 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@]2(CCOC2)O1 ZINC000475630661 1028923589 /nfs/dbraw/zinc/92/35/89/1028923589.db2.gz HWLWNHKSIAPTHC-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@]2(CCOC2)O1 ZINC000475630661 1028923604 /nfs/dbraw/zinc/92/36/04/1028923604.db2.gz HWLWNHKSIAPTHC-MRXNPFEDSA-N 1 2 347.352 3.614 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)n1C ZINC000029541740 1028925609 /nfs/dbraw/zinc/92/56/09/1028925609.db2.gz DAZJKRMGICFDMU-ZDUSSCGKSA-N 1 2 334.489 3.560 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)n1C ZINC000029541740 1028925621 /nfs/dbraw/zinc/92/56/21/1028925621.db2.gz DAZJKRMGICFDMU-ZDUSSCGKSA-N 1 2 334.489 3.560 20 0 EHADLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)ccc1OCC(C)C ZINC000421922145 1028938108 /nfs/dbraw/zinc/93/81/08/1028938108.db2.gz PYYUZFWNRXMPIC-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO COc1ccnc(C[NH2+][C@H](c2ccccc2OC)C2CCCC2)n1 ZINC000424312554 1028961318 /nfs/dbraw/zinc/96/13/18/1028961318.db2.gz WUENGDVVQKIDAQ-IBGZPJMESA-N 1 2 327.428 3.515 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OC)cc2C)s1 ZINC000424337688 1028973261 /nfs/dbraw/zinc/97/32/61/1028973261.db2.gz ZTOHGEQUJHTIOE-NEPJUHHUSA-N 1 2 334.441 3.659 20 0 EHADLO CCCc1cnc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000343074483 1028980091 /nfs/dbraw/zinc/98/00/91/1028980091.db2.gz WYSGZNXQMHJCPI-HNNXBMFYSA-N 1 2 340.452 3.979 20 0 EHADLO COc1sc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1Br ZINC000449575699 1028982477 /nfs/dbraw/zinc/98/24/77/1028982477.db2.gz YQDTZBTVLZAMBZ-KCJUWKMLSA-N 1 2 342.262 3.511 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)n1 ZINC000424305706 1028988101 /nfs/dbraw/zinc/98/81/01/1028988101.db2.gz FFBPEUFOWXGKAR-INIZCTEOSA-N 1 2 327.428 3.612 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454506510 1028989627 /nfs/dbraw/zinc/98/96/27/1028989627.db2.gz KWDCCXUQRYUPRR-JTDSTZFVSA-N 1 2 345.487 3.558 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454506510 1028989647 /nfs/dbraw/zinc/98/96/47/1028989647.db2.gz KWDCCXUQRYUPRR-JTDSTZFVSA-N 1 2 345.487 3.558 20 0 EHADLO Cc1cccc(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000524219081 1028990947 /nfs/dbraw/zinc/99/09/47/1028990947.db2.gz UHHNILNRUQWRFZ-UHFFFAOYSA-N 1 2 343.496 3.865 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000249831226 1029026465 /nfs/dbraw/zinc/02/64/65/1029026465.db2.gz OKBHMFSXGAQWEY-QAPCUYQASA-N 1 2 326.440 3.808 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000249831226 1029026478 /nfs/dbraw/zinc/02/64/78/1029026478.db2.gz OKBHMFSXGAQWEY-QAPCUYQASA-N 1 2 326.440 3.808 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698656 1029032313 /nfs/dbraw/zinc/03/23/13/1029032313.db2.gz MZWZOGKEBCKGPN-UZLBHIALSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698656 1029032329 /nfs/dbraw/zinc/03/23/29/1029032329.db2.gz MZWZOGKEBCKGPN-UZLBHIALSA-N 1 2 337.467 3.610 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475633515 1029064214 /nfs/dbraw/zinc/06/42/14/1029064214.db2.gz XFDLEIYUGZWGEF-SFHVURJKSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475633515 1029064231 /nfs/dbraw/zinc/06/42/31/1029064231.db2.gz XFDLEIYUGZWGEF-SFHVURJKSA-N 1 2 339.863 3.509 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454561878 1029069664 /nfs/dbraw/zinc/06/96/64/1029069664.db2.gz RYQVPCDBZUVSER-CQSZACIVSA-N 1 2 341.455 3.700 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000271727346 1029140920 /nfs/dbraw/zinc/14/09/20/1029140920.db2.gz XVDRSFDUPIHHGY-KGLIPLIRSA-N 1 2 333.432 3.663 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000445807021 1029143112 /nfs/dbraw/zinc/14/31/12/1029143112.db2.gz DDJOHPOJVQNTGJ-UHFFFAOYSA-N 1 2 325.362 3.929 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccc(F)cc1 ZINC000445807769 1029144936 /nfs/dbraw/zinc/14/49/36/1029144936.db2.gz MTGXFMJVGQXXKW-GOSISDBHSA-N 1 2 343.377 3.628 20 0 EHADLO Cc1cc(C)c(NC(=O)CCC[NH2+]C(C)(C)C(=O)OC(C)C)c(C)c1 ZINC000934819017 1029146693 /nfs/dbraw/zinc/14/66/93/1029146693.db2.gz KMKWEFVEBHHLBU-UHFFFAOYSA-N 1 2 348.487 3.650 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000524414905 1029165603 /nfs/dbraw/zinc/16/56/03/1029165603.db2.gz FPPCOUSXWZCPLJ-SJLPKXTDSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1nc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc[nH+]1 ZINC000154453829 1029177079 /nfs/dbraw/zinc/17/70/79/1029177079.db2.gz ADLSWFXVQLQTKD-SNVBAGLBSA-N 1 2 328.363 3.644 20 0 EHADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424655091 1029216718 /nfs/dbraw/zinc/21/67/18/1029216718.db2.gz AUJQCCSKGQAPKL-WMZOPIPTSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000271916773 1029229148 /nfs/dbraw/zinc/22/91/48/1029229148.db2.gz CQXJXVMNIBJOHS-CYBMUJFWSA-N 1 2 346.862 3.939 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424683866 1029234662 /nfs/dbraw/zinc/23/46/62/1029234662.db2.gz RARLLPVHMJVIOO-YJBOKZPZSA-N 1 2 330.472 3.592 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(OC(F)F)c2)c[nH+]1 ZINC000454788172 1029302120 /nfs/dbraw/zinc/30/21/20/1029302120.db2.gz OLWDRILFYPSWTK-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO CCCc1nc(C)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)o1 ZINC000428427394 1029304806 /nfs/dbraw/zinc/30/48/06/1029304806.db2.gz RIVWYSOTOHSLCH-UHFFFAOYSA-N 1 2 326.444 3.847 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000505162205 1029331560 /nfs/dbraw/zinc/33/15/60/1029331560.db2.gz LGHQORDRKWXXDO-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CCC1 ZINC000524595442 1029348833 /nfs/dbraw/zinc/34/88/33/1029348833.db2.gz KTWNWUWPUQATAD-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CCC1 ZINC000524595442 1029348848 /nfs/dbraw/zinc/34/88/48/1029348848.db2.gz KTWNWUWPUQATAD-CYBMUJFWSA-N 1 2 336.505 3.781 20 0 EHADLO CC(C)n1cc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cn1 ZINC000272232375 1029372207 /nfs/dbraw/zinc/37/22/07/1029372207.db2.gz HXMBGJNMMFXMOI-BZUAXINKSA-N 1 2 343.475 3.646 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000255955359 1029386772 /nfs/dbraw/zinc/38/67/72/1029386772.db2.gz YXKUVALXIQQQCF-RYUDHWBXSA-N 1 2 347.871 3.527 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000255955359 1029386792 /nfs/dbraw/zinc/38/67/92/1029386792.db2.gz YXKUVALXIQQQCF-RYUDHWBXSA-N 1 2 347.871 3.527 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000424852254 1029386803 /nfs/dbraw/zinc/38/68/03/1029386803.db2.gz KUXBBYBSKUDOAW-QAPCUYQASA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000245875014 1029409052 /nfs/dbraw/zinc/40/90/52/1029409052.db2.gz GVNWGNFHMULVED-SPOLIRPYSA-N 1 2 329.488 3.899 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000272320010 1029413511 /nfs/dbraw/zinc/41/35/11/1029413511.db2.gz KDIIZQKZDMERTD-FQEVSTJZSA-N 1 2 346.434 3.861 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428578641 1029420559 /nfs/dbraw/zinc/42/05/59/1029420559.db2.gz HKOCVIXWPIURAD-CVEARBPZSA-N 1 2 332.492 3.577 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000150857507 1029447592 /nfs/dbraw/zinc/44/75/92/1029447592.db2.gz NKGDQJSTNSURFA-INIZCTEOSA-N 1 2 346.434 3.823 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000150857507 1029447599 /nfs/dbraw/zinc/44/75/99/1029447599.db2.gz NKGDQJSTNSURFA-INIZCTEOSA-N 1 2 346.434 3.823 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cn(C)nc1C(C)(C)C ZINC000162052557 1029450281 /nfs/dbraw/zinc/45/02/81/1029450281.db2.gz KOQSIMZONRFXSW-UHFFFAOYSA-N 1 2 329.423 3.838 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446408 1029461327 /nfs/dbraw/zinc/46/13/27/1029461327.db2.gz DBDZPIQQSMIDLO-GXTWGEPZSA-N 1 2 330.457 3.553 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446408 1029461339 /nfs/dbraw/zinc/46/13/39/1029461339.db2.gz DBDZPIQQSMIDLO-GXTWGEPZSA-N 1 2 330.457 3.553 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454942938 1029481297 /nfs/dbraw/zinc/48/12/97/1029481297.db2.gz ZNWGMLDWYXAKFA-CQSZACIVSA-N 1 2 329.469 3.981 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000272495919 1029482997 /nfs/dbraw/zinc/48/29/97/1029482997.db2.gz CXIOELPXFGJQBV-CABCVRRESA-N 1 2 347.484 3.785 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000272495919 1029483005 /nfs/dbraw/zinc/48/30/05/1029483005.db2.gz CXIOELPXFGJQBV-CABCVRRESA-N 1 2 347.484 3.785 20 0 EHADLO Cc1cc(CNc2cc(C(=O)N(C)C)ccc2C)c2c([nH+]1)CCCC2 ZINC000892331444 1029485549 /nfs/dbraw/zinc/48/55/49/1029485549.db2.gz ITXHQVYUPMFQBZ-UHFFFAOYSA-N 1 2 337.467 3.891 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454935532 1029499932 /nfs/dbraw/zinc/49/99/32/1029499932.db2.gz RSJIFQNNSCDXKQ-UHFFFAOYSA-N 1 2 329.448 3.715 20 0 EHADLO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272546001 1029508143 /nfs/dbraw/zinc/50/81/43/1029508143.db2.gz CLOFJYJZTOZEHK-UHFFFAOYSA-N 1 2 346.406 3.748 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000533251484 1029531186 /nfs/dbraw/zinc/53/11/86/1029531186.db2.gz AMSFZMXSCLUZKX-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CCO1 ZINC000533251484 1029531196 /nfs/dbraw/zinc/53/11/96/1029531196.db2.gz AMSFZMXSCLUZKX-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO CCCC1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000434256753 1029535636 /nfs/dbraw/zinc/53/56/36/1029535636.db2.gz PGORXCRUZKOXKW-LEOMRAHMSA-N 1 2 331.460 3.603 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000079031038 1029540378 /nfs/dbraw/zinc/54/03/78/1029540378.db2.gz XPSIJHOVJBJLAF-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000079031038 1029540392 /nfs/dbraw/zinc/54/03/92/1029540392.db2.gz XPSIJHOVJBJLAF-UHFFFAOYSA-N 1 2 344.405 3.621 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434304183 1029556695 /nfs/dbraw/zinc/55/66/95/1029556695.db2.gz DJSVVTPONLCYRP-LBPRGKRZSA-N 1 2 349.887 3.950 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434304183 1029556701 /nfs/dbraw/zinc/55/67/01/1029556701.db2.gz DJSVVTPONLCYRP-LBPRGKRZSA-N 1 2 349.887 3.950 20 0 EHADLO CC(C)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434308395 1029560495 /nfs/dbraw/zinc/56/04/95/1029560495.db2.gz VAUPQDBFBIQADR-GOSISDBHSA-N 1 2 345.487 3.851 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455027712 1029574336 /nfs/dbraw/zinc/57/43/36/1029574336.db2.gz WALIDEDVNMBFDE-SFHVURJKSA-N 1 2 336.439 3.864 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 ZINC000272715463 1029577607 /nfs/dbraw/zinc/57/76/07/1029577607.db2.gz ANRMELGFVBKBEP-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000428443796 1029653676 /nfs/dbraw/zinc/65/36/76/1029653676.db2.gz AMQYHULWVLBEOJ-SFHVURJKSA-N 1 2 328.456 3.940 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000428443796 1029653683 /nfs/dbraw/zinc/65/36/83/1029653683.db2.gz AMQYHULWVLBEOJ-SFHVURJKSA-N 1 2 328.456 3.940 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCC2(CCCC2)C1 ZINC000446583264 1029711602 /nfs/dbraw/zinc/71/16/02/1029711602.db2.gz CNUNCTNSXOJTAK-UHFFFAOYSA-N 1 2 342.487 3.548 20 0 EHADLO CCC[N@H+](Cc1cc(C)ncn1)Cc1ccccc1Br ZINC000428450149 1029743133 /nfs/dbraw/zinc/74/31/33/1029743133.db2.gz WKBPBHGPTMDBDH-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO CCC[N@@H+](Cc1cc(C)ncn1)Cc1ccccc1Br ZINC000428450149 1029743136 /nfs/dbraw/zinc/74/31/36/1029743136.db2.gz WKBPBHGPTMDBDH-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC000615114945 1029750440 /nfs/dbraw/zinc/75/04/40/1029750440.db2.gz FHRSZFGLDOXNRZ-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC000615114945 1029750447 /nfs/dbraw/zinc/75/04/47/1029750447.db2.gz FHRSZFGLDOXNRZ-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156097246 1029750781 /nfs/dbraw/zinc/75/07/81/1029750781.db2.gz DZFVLIJRYBIOTB-KRWDZBQOSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000525270763 1029765774 /nfs/dbraw/zinc/76/57/74/1029765774.db2.gz AEHGLAQJGQISOQ-HOTGVXAUSA-N 1 2 342.508 3.723 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000525270763 1029765777 /nfs/dbraw/zinc/76/57/77/1029765777.db2.gz AEHGLAQJGQISOQ-HOTGVXAUSA-N 1 2 342.508 3.723 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC2(CCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001167668297 1029770657 /nfs/dbraw/zinc/77/06/57/1029770657.db2.gz LWEBPGIFAMUCIZ-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO O[C@@H](C[N@H+]1CCOC2(CCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001167668297 1029770666 /nfs/dbraw/zinc/77/06/66/1029770666.db2.gz LWEBPGIFAMUCIZ-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+]Cc2csc(C)n2)cc1Cl ZINC000126617162 1029773379 /nfs/dbraw/zinc/77/33/79/1029773379.db2.gz VYEXSNRFSKCRIU-VIFPVBQESA-N 1 2 326.849 3.973 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000446755693 1029783223 /nfs/dbraw/zinc/78/32/23/1029783223.db2.gz XZVLXITWEDBKMY-GOSISDBHSA-N 1 2 325.387 3.827 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455637101 1029790412 /nfs/dbraw/zinc/79/04/12/1029790412.db2.gz ZOVAKKJEOMWSEV-INIZCTEOSA-N 1 2 334.508 3.910 20 0 EHADLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C ZINC000162595881 1029796269 /nfs/dbraw/zinc/79/62/69/1029796269.db2.gz TUIYKZAUGWOFFE-UHFFFAOYSA-N 1 2 334.504 3.977 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211580683 1029821641 /nfs/dbraw/zinc/82/16/41/1029821641.db2.gz SMYRFKDLASVJCZ-HNNXBMFYSA-N 1 2 329.350 3.910 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)c1 ZINC000156356352 1029822545 /nfs/dbraw/zinc/82/25/45/1029822545.db2.gz NVYUEZNSQKJKOW-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533810690 1029869627 /nfs/dbraw/zinc/86/96/27/1029869627.db2.gz NPYPJHDWBKEXGH-UHFFFAOYSA-N 1 2 342.508 3.760 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cc(F)cc(F)c1 ZINC000446976376 1029870285 /nfs/dbraw/zinc/87/02/85/1029870285.db2.gz WCAUDRNBTHRFFJ-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cc(F)cc(F)c1 ZINC000446976376 1029870294 /nfs/dbraw/zinc/87/02/94/1029870294.db2.gz WCAUDRNBTHRFFJ-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000120039274 1029915362 /nfs/dbraw/zinc/91/53/62/1029915362.db2.gz PWFNZLKQQBQVLT-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000120039274 1029915371 /nfs/dbraw/zinc/91/53/71/1029915371.db2.gz PWFNZLKQQBQVLT-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO CC(C)(C)CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000511240291 1029919574 /nfs/dbraw/zinc/91/95/74/1029919574.db2.gz KFNLDHCKCYMWRB-UHFFFAOYSA-N 1 2 342.487 3.947 20 0 EHADLO O=C(C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)NCc1cccs1 ZINC000481795232 1029972273 /nfs/dbraw/zinc/97/22/73/1029972273.db2.gz KYJRWWXQHRJHBW-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)NCc1cccs1 ZINC000481795232 1029972302 /nfs/dbraw/zinc/97/23/02/1029972302.db2.gz KYJRWWXQHRJHBW-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cc2n(n1)CCCC2 ZINC000647296644 1029981850 /nfs/dbraw/zinc/98/18/50/1029981850.db2.gz QYACYAJELPXMGL-HNNXBMFYSA-N 1 2 325.460 3.778 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266935 1030004221 /nfs/dbraw/zinc/00/42/21/1030004221.db2.gz MRSYNJSRAIUPAU-SIIHOXLZSA-N 1 2 342.414 3.779 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266935 1030004238 /nfs/dbraw/zinc/00/42/38/1030004238.db2.gz MRSYNJSRAIUPAU-SIIHOXLZSA-N 1 2 342.414 3.779 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](C)CCOCc3ccccc3)o2)c(C)o1 ZINC000089909474 1030027586 /nfs/dbraw/zinc/02/75/86/1030027586.db2.gz AIBZAFKPDZGRBS-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](C)CCOCc3ccccc3)o2)c(C)o1 ZINC000089909474 1030027595 /nfs/dbraw/zinc/02/75/95/1030027595.db2.gz AIBZAFKPDZGRBS-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000090004342 1030057285 /nfs/dbraw/zinc/05/72/85/1030057285.db2.gz UQFVKTUKGBJOPX-AWEZNQCLSA-N 1 2 332.517 3.629 20 0 EHADLO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000090004342 1030057303 /nfs/dbraw/zinc/05/73/03/1030057303.db2.gz UQFVKTUKGBJOPX-AWEZNQCLSA-N 1 2 332.517 3.629 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115053 1030065696 /nfs/dbraw/zinc/06/56/96/1030065696.db2.gz VHVCZTPETUDAGS-JTQLQIEISA-N 1 2 346.254 3.863 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115053 1030065711 /nfs/dbraw/zinc/06/57/11/1030065711.db2.gz VHVCZTPETUDAGS-JTQLQIEISA-N 1 2 346.254 3.863 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453302768 1030070645 /nfs/dbraw/zinc/07/06/45/1030070645.db2.gz AVPFBIJPYLNEMV-SMDDNHRTSA-N 1 2 334.261 3.829 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2c(c(Cl)c1)OCO2 ZINC000343287100 1030109802 /nfs/dbraw/zinc/10/98/02/1030109802.db2.gz PHGWTWZGUBZTMM-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCC[C@H]1CC ZINC000428481270 1030132574 /nfs/dbraw/zinc/13/25/74/1030132574.db2.gz JSQVNOYDYRTQCO-SJORKVTESA-N 1 2 334.508 3.836 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000531965575 1030153121 /nfs/dbraw/zinc/15/31/21/1030153121.db2.gz MKWFPGBGFQGXLC-LBPRGKRZSA-N 1 2 327.350 3.613 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cnc(C)cc2C)nnn1-c1ccc(F)cc1 ZINC000453381243 1030160983 /nfs/dbraw/zinc/16/09/83/1030160983.db2.gz XKFRODHMBPRKIP-AWEZNQCLSA-N 1 2 339.418 3.577 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635064404 1030174512 /nfs/dbraw/zinc/17/45/12/1030174512.db2.gz WIDUNEVOSANZSG-GFCCVEGCSA-N 1 2 347.724 3.677 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000052452041 1030202144 /nfs/dbraw/zinc/20/21/44/1030202144.db2.gz ZPIFPCBQGDBEDT-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000052452041 1030202155 /nfs/dbraw/zinc/20/21/55/1030202155.db2.gz ZPIFPCBQGDBEDT-UHFFFAOYSA-N 1 2 334.485 3.960 20 0 EHADLO c1cn(Cc2cccc(CNc3noc(-c4ccccc4)n3)c2)c[nH+]1 ZINC000157025659 1030210241 /nfs/dbraw/zinc/21/02/41/1030210241.db2.gz OCNJLIUMTFVALX-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)nc1 ZINC000657773610 1030211973 /nfs/dbraw/zinc/21/19/73/1030211973.db2.gz UCMNTMKNUDNLEF-HNNXBMFYSA-N 1 2 341.238 3.610 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091082792 1030219745 /nfs/dbraw/zinc/21/97/45/1030219745.db2.gz WITCWNOOHGNJIS-AWEZNQCLSA-N 1 2 335.398 3.675 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091082792 1030219761 /nfs/dbraw/zinc/21/97/61/1030219761.db2.gz WITCWNOOHGNJIS-AWEZNQCLSA-N 1 2 335.398 3.675 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161578 1030235306 /nfs/dbraw/zinc/23/53/06/1030235306.db2.gz MHIFLOYUFOZFQK-SJORKVTESA-N 1 2 336.838 3.697 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161578 1030235319 /nfs/dbraw/zinc/23/53/19/1030235319.db2.gz MHIFLOYUFOZFQK-SJORKVTESA-N 1 2 336.838 3.697 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(Br)ccc2F)sc1C ZINC000091437436 1030267462 /nfs/dbraw/zinc/26/74/62/1030267462.db2.gz XNRKNWOIVOVQNQ-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000447534084 1030269810 /nfs/dbraw/zinc/26/98/10/1030269810.db2.gz ZUQNPKBDKOEOSZ-ZDUSSCGKSA-N 1 2 344.411 3.633 20 0 EHADLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000635114182 1030360823 /nfs/dbraw/zinc/36/08/23/1030360823.db2.gz OXXWLIYBJKXQMC-TVQRCGJNSA-N 1 2 347.287 3.532 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000532094765 1030390553 /nfs/dbraw/zinc/39/05/53/1030390553.db2.gz LYEOVTUFRWRYOP-VQIMIIECSA-N 1 2 340.471 3.799 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NC[C@H]3C[C@@](C)(O)C3)ccc21 ZINC001168347332 1030395750 /nfs/dbraw/zinc/39/57/50/1030395750.db2.gz GVEOZUWKMSZIFV-LDTOLXSISA-N 1 2 337.423 3.607 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000668037767 1030400214 /nfs/dbraw/zinc/40/02/14/1030400214.db2.gz DCOVOTGZUZSYOI-RDJZCZTQSA-N 1 2 326.444 3.554 20 0 EHADLO COC(=O)C[N@H+](Cc1ccccc1OCC(F)(F)F)C1CCCC1 ZINC000532144691 1030435807 /nfs/dbraw/zinc/43/58/07/1030435807.db2.gz UOTZDSIYAAQFJB-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CCCC1 ZINC000532144691 1030435818 /nfs/dbraw/zinc/43/58/18/1030435818.db2.gz UOTZDSIYAAQFJB-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cncs1 ZINC000092485978 1030460451 /nfs/dbraw/zinc/46/04/51/1030460451.db2.gz TYRWQUNMPZOHMA-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cncs1 ZINC000092485978 1030460465 /nfs/dbraw/zinc/46/04/65/1030460465.db2.gz TYRWQUNMPZOHMA-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824182 1030501055 /nfs/dbraw/zinc/50/10/55/1030501055.db2.gz XZPSMOSKCOCKNT-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824182 1030501061 /nfs/dbraw/zinc/50/10/61/1030501061.db2.gz XZPSMOSKCOCKNT-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000668084279 1030564315 /nfs/dbraw/zinc/56/43/15/1030564315.db2.gz GGTHDVMUWNALTJ-UHFFFAOYSA-N 1 2 341.430 3.527 20 0 EHADLO CC(C)N1CCC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000447891429 1030572173 /nfs/dbraw/zinc/57/21/73/1030572173.db2.gz QIRIAKZWJBQUEN-AWEZNQCLSA-N 1 2 341.282 3.972 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000093226757 1030573455 /nfs/dbraw/zinc/57/34/55/1030573455.db2.gz BHWJKDXDSYRPRH-PQUAAJSLSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000093226757 1030573466 /nfs/dbraw/zinc/57/34/66/1030573466.db2.gz BHWJKDXDSYRPRH-PQUAAJSLSA-N 1 2 329.488 3.644 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1cccc(O)c1 ZINC000527039968 1030586205 /nfs/dbraw/zinc/58/62/05/1030586205.db2.gz ASFFECBORQKBKY-UHFFFAOYSA-N 1 2 336.391 3.754 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193701362 1030602129 /nfs/dbraw/zinc/60/21/29/1030602129.db2.gz QOADZBTZJUHWIG-GOSISDBHSA-N 1 2 330.472 3.674 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000093392966 1030605559 /nfs/dbraw/zinc/60/55/59/1030605559.db2.gz CSYKPNUIUNPBCD-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000093392966 1030605569 /nfs/dbraw/zinc/60/55/69/1030605569.db2.gz CSYKPNUIUNPBCD-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCc1cccs1 ZINC000093418430 1030609453 /nfs/dbraw/zinc/60/94/53/1030609453.db2.gz HAGWGJVHSYZOOC-CABCVRRESA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCc1cccs1 ZINC000093418430 1030609465 /nfs/dbraw/zinc/60/94/65/1030609465.db2.gz HAGWGJVHSYZOOC-CABCVRRESA-N 1 2 347.480 3.945 20 0 EHADLO Cc1cc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)ccc1F ZINC000527074945 1030626346 /nfs/dbraw/zinc/62/63/46/1030626346.db2.gz JVDBHKLJDSEGGO-GOSISDBHSA-N 1 2 338.386 3.820 20 0 EHADLO C[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093713172 1030663913 /nfs/dbraw/zinc/66/39/13/1030663913.db2.gz RCIKYXRGCVLMAF-QFIPXVFZSA-N 1 2 334.510 3.780 20 0 EHADLO C[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093713172 1030663919 /nfs/dbraw/zinc/66/39/19/1030663919.db2.gz RCIKYXRGCVLMAF-QFIPXVFZSA-N 1 2 334.510 3.780 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)CC12CCC2 ZINC000668110694 1030665274 /nfs/dbraw/zinc/66/52/74/1030665274.db2.gz NHYGIDGUECNCGE-CQSZACIVSA-N 1 2 328.382 3.558 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)CC12CCC2 ZINC000668110694 1030665288 /nfs/dbraw/zinc/66/52/88/1030665288.db2.gz NHYGIDGUECNCGE-CQSZACIVSA-N 1 2 328.382 3.558 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)ccc1-n1cncn1 ZINC000093758807 1030669118 /nfs/dbraw/zinc/66/91/18/1030669118.db2.gz MXEPBUMERGIJPP-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO Cc1cc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)ccc1-n1cncn1 ZINC000093758807 1030669131 /nfs/dbraw/zinc/66/91/31/1030669131.db2.gz MXEPBUMERGIJPP-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3cc(C)[nH+]cc3C)C2)c1 ZINC000548810224 1030726567 /nfs/dbraw/zinc/72/65/67/1030726567.db2.gz QHGOKJSLIMGXGQ-LJQANCHMSA-N 1 2 345.393 3.670 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CSc3ccccc31)C2 ZINC000527247623 1030736394 /nfs/dbraw/zinc/73/63/94/1030736394.db2.gz JOLVQZAGZVJTHD-MLGOLLRUSA-N 1 2 341.480 3.601 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CSc3ccccc31)CC2 ZINC000527247623 1030736402 /nfs/dbraw/zinc/73/64/02/1030736402.db2.gz JOLVQZAGZVJTHD-MLGOLLRUSA-N 1 2 341.480 3.601 20 0 EHADLO COc1ccc(CCN(CC(C)C)c2cc[nH+]c(C)n2)cc1OC ZINC000448124722 1030753391 /nfs/dbraw/zinc/75/33/91/1030753391.db2.gz BQYVODSBADQQGK-UHFFFAOYSA-N 1 2 329.444 3.507 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142161 1030767465 /nfs/dbraw/zinc/76/74/65/1030767465.db2.gz UJVBTAPATANZDQ-BEFAXECRSA-N 1 2 340.471 3.985 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142161 1030767483 /nfs/dbraw/zinc/76/74/83/1030767483.db2.gz UJVBTAPATANZDQ-BEFAXECRSA-N 1 2 340.471 3.985 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)c1nccn1C ZINC000657794834 1030769681 /nfs/dbraw/zinc/76/96/81/1030769681.db2.gz XKGIGXVAGAFYEC-CABCVRRESA-N 1 2 332.467 3.892 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000343419010 1030801502 /nfs/dbraw/zinc/80/15/02/1030801502.db2.gz CZOWJDPOQBQFTR-CQSZACIVSA-N 1 2 345.406 3.548 20 0 EHADLO Cc1nn(C)c(C[N@H+](C)CCCc2ccccc2)c1Br ZINC000448218300 1030805393 /nfs/dbraw/zinc/80/53/93/1030805393.db2.gz UMYOWABSEACVPK-UHFFFAOYSA-N 1 2 336.277 3.556 20 0 EHADLO Cc1nn(C)c(C[N@@H+](C)CCCc2ccccc2)c1Br ZINC000448218300 1030805412 /nfs/dbraw/zinc/80/54/12/1030805412.db2.gz UMYOWABSEACVPK-UHFFFAOYSA-N 1 2 336.277 3.556 20 0 EHADLO CC(C)(C)C1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000172115972 1030836001 /nfs/dbraw/zinc/83/60/01/1030836001.db2.gz NYGLIBRVSROUEH-UHFFFAOYSA-N 1 2 344.503 3.518 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CCC(C(C)(C)C)CC2)cs1)C1CC1 ZINC000172031043 1030866389 /nfs/dbraw/zinc/86/63/89/1030866389.db2.gz VJSIOGKANSSREA-UHFFFAOYSA-N 1 2 335.517 3.917 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2=O)cs1 ZINC000115600092 1030884909 /nfs/dbraw/zinc/88/49/09/1030884909.db2.gz XOKDDCLKRDITEX-SWLSCSKDSA-N 1 2 347.459 3.691 20 0 EHADLO O=C(NCCC1CCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000172449876 1030946884 /nfs/dbraw/zinc/94/68/84/1030946884.db2.gz VNYAXVZNRDYGNE-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)o1 ZINC000131126443 1030962375 /nfs/dbraw/zinc/96/23/75/1030962375.db2.gz SFZNEJDPTGKECN-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2C)o1 ZINC000131126443 1030962386 /nfs/dbraw/zinc/96/23/86/1030962386.db2.gz SFZNEJDPTGKECN-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000527526409 1030967500 /nfs/dbraw/zinc/96/75/00/1030967500.db2.gz GYUWJHOREJQFML-CQSZACIVSA-N 1 2 337.464 3.699 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000527526409 1030967514 /nfs/dbraw/zinc/96/75/14/1030967514.db2.gz GYUWJHOREJQFML-CQSZACIVSA-N 1 2 337.464 3.699 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000157981451 1030992808 /nfs/dbraw/zinc/99/28/08/1030992808.db2.gz ZPJJBXAVHWFKFJ-LBPRGKRZSA-N 1 2 345.493 3.563 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCc4nc(C(C)C)ncc4C3)cc2c1 ZINC000527619242 1031044342 /nfs/dbraw/zinc/04/43/42/1031044342.db2.gz PGOKZCAXYJYZLG-UHFFFAOYSA-N 1 2 337.423 3.913 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCc4nc(C(C)C)ncc4C3)cc2c1 ZINC000527619242 1031044355 /nfs/dbraw/zinc/04/43/55/1031044355.db2.gz PGOKZCAXYJYZLG-UHFFFAOYSA-N 1 2 337.423 3.913 20 0 EHADLO Cc1cccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000042625024 1031046567 /nfs/dbraw/zinc/04/65/67/1031046567.db2.gz PARMLSNFUSEPKK-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO Clc1cc(C[NH2+]Cc2nnc3n2CCC3)ccc1-c1ccccc1 ZINC000527636248 1031065203 /nfs/dbraw/zinc/06/52/03/1031065203.db2.gz RWCLECQCELMPJE-UHFFFAOYSA-N 1 2 338.842 3.835 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3CCCc4sccc43)ccc2[nH+]1 ZINC000343485200 1031073203 /nfs/dbraw/zinc/07/32/03/1031073203.db2.gz GRMKHPONSZMGEZ-AWEZNQCLSA-N 1 2 326.425 3.903 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1ccsc1Br ZINC000527646675 1031074454 /nfs/dbraw/zinc/07/44/54/1031074454.db2.gz YUXYTXSCGQUIQR-UHFFFAOYSA-N 1 2 341.274 3.984 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1 ZINC000483277989 1031083578 /nfs/dbraw/zinc/08/35/78/1031083578.db2.gz AXLOPISJJBZNDX-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1 ZINC000483277989 1031083594 /nfs/dbraw/zinc/08/35/94/1031083594.db2.gz AXLOPISJJBZNDX-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COC1(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000483279987 1031083655 /nfs/dbraw/zinc/08/36/55/1031083655.db2.gz IPYJKIRBPNBHOK-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000483279987 1031083666 /nfs/dbraw/zinc/08/36/66/1031083666.db2.gz IPYJKIRBPNBHOK-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000668241122 1031140394 /nfs/dbraw/zinc/14/03/94/1031140394.db2.gz BSWDVMKIWYRCHY-UHFFFAOYSA-N 1 2 327.268 3.647 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483387575 1031143693 /nfs/dbraw/zinc/14/36/93/1031143693.db2.gz YNNVKMONQIDNOC-IGCXYCKISA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483387575 1031143697 /nfs/dbraw/zinc/14/36/97/1031143697.db2.gz YNNVKMONQIDNOC-IGCXYCKISA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043459 1031158935 /nfs/dbraw/zinc/15/89/35/1031158935.db2.gz AMUANYMWCVCJGV-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043459 1031158947 /nfs/dbraw/zinc/15/89/47/1031158947.db2.gz AMUANYMWCVCJGV-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO CCc1ccc([C@@H]2CN(Cc3c[nH+]c4c(C)cccn34)CCO2)cc1 ZINC000483428790 1031159816 /nfs/dbraw/zinc/15/98/16/1031159816.db2.gz OSLAIUHGGFLXKG-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCC1 ZINC000483428159 1031160961 /nfs/dbraw/zinc/16/09/61/1031160961.db2.gz MVUYPMSJCLWSPT-CQSZACIVSA-N 1 2 347.455 3.558 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCC1 ZINC000483428159 1031160974 /nfs/dbraw/zinc/16/09/74/1031160974.db2.gz MVUYPMSJCLWSPT-CQSZACIVSA-N 1 2 347.455 3.558 20 0 EHADLO C[C@@H]1CCN(Cc2ccc(Cl)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000278512711 1031192449 /nfs/dbraw/zinc/19/24/49/1031192449.db2.gz BPGSFHKJCMJXBS-YPMHNXCESA-N 1 2 325.243 3.668 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000483528292 1031201210 /nfs/dbraw/zinc/20/12/10/1031201210.db2.gz CRJDNAPPNLPGRO-KRWDZBQOSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000483528292 1031201223 /nfs/dbraw/zinc/20/12/23/1031201223.db2.gz CRJDNAPPNLPGRO-KRWDZBQOSA-N 1 2 344.842 3.734 20 0 EHADLO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000551304507 1031206810 /nfs/dbraw/zinc/20/68/10/1031206810.db2.gz HJBITUIJTSZIPB-RCCFBDPRSA-N 1 2 346.450 3.607 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2ccc(Cl)cc2)c2cn[nH]n2)cc1 ZINC000551306976 1031210095 /nfs/dbraw/zinc/21/00/95/1031210095.db2.gz BSPSPVPXSBFNOH-GOSISDBHSA-N 1 2 344.821 3.909 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2ccc(Cl)cc2)c2c[nH]nn2)cc1 ZINC000551306976 1031210110 /nfs/dbraw/zinc/21/01/10/1031210110.db2.gz BSPSPVPXSBFNOH-GOSISDBHSA-N 1 2 344.821 3.909 20 0 EHADLO Cc1ccccc1C1([NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000647316611 1031249770 /nfs/dbraw/zinc/24/97/70/1031249770.db2.gz YLIZZIGGFRKZNR-KRWDZBQOSA-N 1 2 345.439 3.632 20 0 EHADLO C[N@H+](Cc1nccs1)Cc1ccc(OCc2ccccn2)cc1 ZINC000175075644 1031274557 /nfs/dbraw/zinc/27/45/57/1031274557.db2.gz ZCYMLQAUQHHMKZ-UHFFFAOYSA-N 1 2 325.437 3.749 20 0 EHADLO C[N@@H+](Cc1nccs1)Cc1ccc(OCc2ccccn2)cc1 ZINC000175075644 1031274567 /nfs/dbraw/zinc/27/45/67/1031274567.db2.gz ZCYMLQAUQHHMKZ-UHFFFAOYSA-N 1 2 325.437 3.749 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(C1CC1)C1CCCC1 ZINC000175382326 1031300549 /nfs/dbraw/zinc/30/05/49/1031300549.db2.gz KOXDCXLBKOVTOG-UHFFFAOYSA-N 1 2 342.418 3.628 20 0 EHADLO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)Nc1ccc2c(c1)CCC2 ZINC000551403342 1031300490 /nfs/dbraw/zinc/30/04/90/1031300490.db2.gz HXTQYUFVBZPEIC-UHFFFAOYSA-N 1 2 340.389 3.778 20 0 EHADLO CC(C)(C)[C@@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668262820 1031327024 /nfs/dbraw/zinc/32/70/24/1031327024.db2.gz BJXQTDMEBHHSNU-IRXDYDNUSA-N 1 2 325.456 3.969 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc(F)s2)c1)[NH+]1CCOCC1 ZINC000668269419 1031352780 /nfs/dbraw/zinc/35/27/80/1031352780.db2.gz KOUGVDHXEUPMNH-GFCCVEGCSA-N 1 2 334.416 3.533 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H]1C ZINC000448639937 1031410763 /nfs/dbraw/zinc/41/07/63/1031410763.db2.gz SJYROAZHHYGESZ-ZHALLVOQSA-N 1 2 339.483 3.662 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000483993291 1031426364 /nfs/dbraw/zinc/42/63/64/1031426364.db2.gz KVNKUCQHTUOJOO-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000483993291 1031426380 /nfs/dbraw/zinc/42/63/80/1031426380.db2.gz KVNKUCQHTUOJOO-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCn2c[nH+]cc2C1 ZINC000151440644 1031442246 /nfs/dbraw/zinc/44/22/46/1031442246.db2.gz KKSRKRODBSROSU-ZDUSSCGKSA-N 1 2 331.375 3.984 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347426034 1031512229 /nfs/dbraw/zinc/51/22/29/1031512229.db2.gz HGAAKMWAOAZUFO-GDBMZVCRSA-N 1 2 345.874 3.658 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccccc2)CCCCCC1 ZINC000527979766 1031515000 /nfs/dbraw/zinc/51/50/00/1031515000.db2.gz GTDCLSODPIKZOD-QGZVFWFLSA-N 1 2 325.456 3.680 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000347429903 1031518190 /nfs/dbraw/zinc/51/81/90/1031518190.db2.gz LTYCUTLOCWIUPP-ZACQAIPSSA-N 1 2 331.504 3.979 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)NCc1cccs1 ZINC000343594139 1031540951 /nfs/dbraw/zinc/54/09/51/1031540951.db2.gz YJDNZBKUCXGLPP-CYBMUJFWSA-N 1 2 336.888 3.928 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)NCc1cccs1 ZINC000343594139 1031540968 /nfs/dbraw/zinc/54/09/68/1031540968.db2.gz YJDNZBKUCXGLPP-CYBMUJFWSA-N 1 2 336.888 3.928 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000177963751 1031600378 /nfs/dbraw/zinc/60/03/78/1031600378.db2.gz XCCDPSOGLKIVAX-LJQANCHMSA-N 1 2 346.434 3.589 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccs1 ZINC000177980188 1031602173 /nfs/dbraw/zinc/60/21/73/1031602173.db2.gz KYNNVBILLDTONL-GJZGRUSLSA-N 1 2 346.500 3.597 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074461 1031616554 /nfs/dbraw/zinc/61/65/54/1031616554.db2.gz HYPKBMSHFXPQAM-AWEZNQCLSA-N 1 2 333.395 3.568 20 0 EHADLO CC(C)c1cc(NC[C@H](n2cccn2)C(F)(F)F)nc(C(C)C)[nH+]1 ZINC000528083334 1031678227 /nfs/dbraw/zinc/67/82/27/1031678227.db2.gz UBWNPIRSHOJUKI-ZDUSSCGKSA-N 1 2 341.381 3.557 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CCCO2 ZINC000178422719 1031698820 /nfs/dbraw/zinc/69/88/20/1031698820.db2.gz UXCHATFNAZVZON-GFCCVEGCSA-N 1 2 339.258 3.909 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741839 1031761103 /nfs/dbraw/zinc/76/11/03/1031761103.db2.gz JCSAJYMGUWNRDM-JHJVBQTASA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741839 1031761114 /nfs/dbraw/zinc/76/11/14/1031761114.db2.gz JCSAJYMGUWNRDM-JHJVBQTASA-N 1 2 339.277 3.754 20 0 EHADLO Cc1noc(C23CC(C2)CN3c2cc[nH+]c3c(Cl)cccc23)n1 ZINC000528124925 1031771464 /nfs/dbraw/zinc/77/14/64/1031771464.db2.gz PXYIIJZIOFOYCT-UHFFFAOYSA-N 1 2 326.787 3.705 20 0 EHADLO CC(C)Oc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117624368 1031782457 /nfs/dbraw/zinc/78/24/57/1031782457.db2.gz SCNXDTGBCCKAJC-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cnc(C(C)(C)C)s1)C2 ZINC000179531619 1031783876 /nfs/dbraw/zinc/78/38/76/1031783876.db2.gz XZIHKUJBLJBUHP-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnc(C(C)(C)C)s1)C2 ZINC000179531619 1031783889 /nfs/dbraw/zinc/78/38/89/1031783889.db2.gz XZIHKUJBLJBUHP-UHFFFAOYSA-N 1 2 343.496 3.957 20 0 EHADLO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2noc(C)n2)cc1 ZINC000484623836 1031816951 /nfs/dbraw/zinc/81/69/51/1031816951.db2.gz YHBBXUVUNGIKED-ROUUACIJSA-N 1 2 345.443 3.647 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000343657580 1031818543 /nfs/dbraw/zinc/81/85/43/1031818543.db2.gz HHTUWGXZLLZUFB-NEWSRXKRSA-N 1 2 335.451 3.518 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1nnc2n1CCCCC2 ZINC000657831419 1031827083 /nfs/dbraw/zinc/82/70/83/1031827083.db2.gz XXGKAEDFQCEUEM-QWHCGFSZSA-N 1 2 325.416 3.558 20 0 EHADLO O=C(NCCCc1c[nH]c2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000117795598 1031854360 /nfs/dbraw/zinc/85/43/60/1031854360.db2.gz FOXOYMOKRXFJEV-UHFFFAOYSA-N 1 2 344.418 3.716 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCc3ccccc3C1)C2 ZINC000475746609 1031859977 /nfs/dbraw/zinc/85/99/77/1031859977.db2.gz ALZARTYJFPZXEV-MRXNPFEDSA-N 1 2 337.467 3.613 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCc3ccccc3C1)CC2 ZINC000475746609 1031859995 /nfs/dbraw/zinc/85/99/95/1031859995.db2.gz ALZARTYJFPZXEV-MRXNPFEDSA-N 1 2 337.467 3.613 20 0 EHADLO OCC[N@H+](Cc1cccc(F)c1)Cc1ccccc1Br ZINC000343676478 1031889869 /nfs/dbraw/zinc/88/98/69/1031889869.db2.gz AGTGMDCBVMARRM-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO OCC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1Br ZINC000343676478 1031889884 /nfs/dbraw/zinc/88/98/84/1031889884.db2.gz AGTGMDCBVMARRM-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC000904262836 1031891434 /nfs/dbraw/zinc/89/14/34/1031891434.db2.gz LTZJMRAIGAXMMD-VNQPRFMTSA-N 1 2 338.798 3.729 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2cccc([C@H]3CCCOC3)c2)n1 ZINC000904269599 1031896855 /nfs/dbraw/zinc/89/68/55/1031896855.db2.gz MGFGNYZDBUBGJC-HNNXBMFYSA-N 1 2 336.395 3.583 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CO[C@H]2CCCc3ccccc32)n1 ZINC000904268872 1031897080 /nfs/dbraw/zinc/89/70/80/1031897080.db2.gz LWMCYDNIDDZCCZ-INIZCTEOSA-N 1 2 336.395 3.616 20 0 EHADLO CC[C@@H](Cc1nc(-c2c[nH+]c(N)cc2C)no1)c1ccc(OC)cc1 ZINC000904270104 1031898219 /nfs/dbraw/zinc/89/82/19/1031898219.db2.gz WSFXRQKYYBQQOV-ZDUSSCGKSA-N 1 2 338.411 3.767 20 0 EHADLO Cc1nc(C(C)(C)C)sc1-c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257653 1031904699 /nfs/dbraw/zinc/90/46/99/1031904699.db2.gz ALPRDUYQZUADTC-UHFFFAOYSA-N 1 2 329.429 3.752 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1nc(Br)ccc1F ZINC000924644063 1031923416 /nfs/dbraw/zinc/92/34/16/1031923416.db2.gz RKFFEGFNARKHIH-NWDGAFQWSA-N 1 2 344.272 3.508 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC12CCCCC2 ZINC000537808951 1031929670 /nfs/dbraw/zinc/92/96/70/1031929670.db2.gz MZYFIVFQIUKNDS-OAHLLOKOSA-N 1 2 348.516 3.973 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000151717680 1031950211 /nfs/dbraw/zinc/95/02/11/1031950211.db2.gz DEXRNSFLDULSPD-RTBURBONSA-N 1 2 339.439 3.704 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)s2)c1 ZINC000195014956 1031960572 /nfs/dbraw/zinc/96/05/72/1031960572.db2.gz MUTHJNRBBCWQCT-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)s2)c1 ZINC000195014956 1031960589 /nfs/dbraw/zinc/96/05/89/1031960589.db2.gz MUTHJNRBBCWQCT-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO Clc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccnc1)OCCO2 ZINC000343700776 1031985860 /nfs/dbraw/zinc/98/58/60/1031985860.db2.gz YMEHVWDNQGHSMY-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccnc1)OCCO2 ZINC000343700776 1031985876 /nfs/dbraw/zinc/98/58/76/1031985876.db2.gz YMEHVWDNQGHSMY-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2c(c1)OCCO2 ZINC000278687866 1031998441 /nfs/dbraw/zinc/99/84/41/1031998441.db2.gz PNZJMJZGUSDWIO-SECBINFHSA-N 1 2 344.358 3.784 20 0 EHADLO COc1ccc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000904363042 1031998646 /nfs/dbraw/zinc/99/86/46/1031998646.db2.gz UNJMHFFSZXEXIM-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455815605 1032023437 /nfs/dbraw/zinc/02/34/37/1032023437.db2.gz WLNLEWIXNGWPDW-GFCCVEGCSA-N 1 2 334.370 3.933 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343711559 1032035044 /nfs/dbraw/zinc/03/50/44/1032035044.db2.gz HVNGFOHBBFKXQY-LPHOPBHVSA-N 1 2 337.467 3.835 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1ccnn1C1CCCC1)CC2 ZINC000449003779 1032042384 /nfs/dbraw/zinc/04/23/84/1032042384.db2.gz SQENCBOLIQXWJZ-UHFFFAOYSA-N 1 2 341.455 3.574 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccnn1C1CCCC1)CC2 ZINC000449003779 1032042401 /nfs/dbraw/zinc/04/24/01/1032042401.db2.gz SQENCBOLIQXWJZ-UHFFFAOYSA-N 1 2 341.455 3.574 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000685411631 1033296649 /nfs/dbraw/zinc/29/66/49/1033296649.db2.gz JPKCCQBMVIZGQT-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)ccc1SCC(F)F)n1cc[nH+]c1 ZINC000574576369 1033303979 /nfs/dbraw/zinc/30/39/79/1033303979.db2.gz NHISPBNHEWMMMX-SNVBAGLBSA-N 1 2 343.374 3.969 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)nn1 ZINC000685426822 1033319639 /nfs/dbraw/zinc/31/96/39/1033319639.db2.gz GOAMUGPNSLOVCE-KGLIPLIRSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)nn1 ZINC000685426822 1033319651 /nfs/dbraw/zinc/31/96/51/1033319651.db2.gz GOAMUGPNSLOVCE-KGLIPLIRSA-N 1 2 338.377 3.739 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ncoc1-c1ccccc1Cl ZINC000607830853 1033322588 /nfs/dbraw/zinc/32/25/88/1033322588.db2.gz UKJVDPXPJHJYLI-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO O=C(c1ccccc1Cl)C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000898130438 1033342040 /nfs/dbraw/zinc/34/20/40/1033342040.db2.gz INIPILHXBWJSIX-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO FC(F)(F)c1nc2n(c1C[NH+]1CC(Cc3ccoc3)C1)CCCC2 ZINC000898159652 1033359211 /nfs/dbraw/zinc/35/92/11/1033359211.db2.gz AUEHMFOBHRQXBL-UHFFFAOYSA-N 1 2 339.361 3.506 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000607855849 1033362627 /nfs/dbraw/zinc/36/26/27/1033362627.db2.gz PATLDWLHFBLTBX-FXAWDEMLSA-N 1 2 347.462 3.837 20 0 EHADLO CC(C)(CNC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000603158592 1033398149 /nfs/dbraw/zinc/39/81/49/1033398149.db2.gz XWOFZXMNEFLYTJ-UHFFFAOYSA-N 1 2 337.826 3.550 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000358125088 1033406569 /nfs/dbraw/zinc/40/65/69/1033406569.db2.gz XVMHJIBGECDMJO-FQEVSTJZSA-N 1 2 348.450 3.593 20 0 EHADLO CC[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cc(F)ccc1F ZINC000278780166 1033410235 /nfs/dbraw/zinc/41/02/35/1033410235.db2.gz ZHFRVKZMGSDFLR-AWEZNQCLSA-N 1 2 340.805 3.715 20 0 EHADLO Cc1ccc(F)c(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000065704010 1033426384 /nfs/dbraw/zinc/42/63/84/1033426384.db2.gz YKWDRJJWKICQQH-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000659936553 1033444323 /nfs/dbraw/zinc/44/43/23/1033444323.db2.gz RLWXTPUFQJRNOZ-UHFFFAOYSA-N 1 2 328.256 3.869 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000659936553 1033444328 /nfs/dbraw/zinc/44/43/28/1033444328.db2.gz RLWXTPUFQJRNOZ-UHFFFAOYSA-N 1 2 328.256 3.869 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(c3ccccc3F)CC2)n1 ZINC000898313316 1033449249 /nfs/dbraw/zinc/44/92/49/1033449249.db2.gz XPDOSDVXKKVOAH-UHFFFAOYSA-N 1 2 347.459 3.794 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC1(CSC)CC1 ZINC000594711466 1033500463 /nfs/dbraw/zinc/50/04/63/1033500463.db2.gz NUKBIKVMTMIJMI-OAHLLOKOSA-N 1 2 341.904 3.547 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1nccn1Cc1ccccc1 ZINC000537506660 1033535127 /nfs/dbraw/zinc/53/51/27/1033535127.db2.gz YJZMSMRCCIZKMC-UHFFFAOYSA-N 1 2 345.450 3.725 20 0 EHADLO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000598918781 1033574085 /nfs/dbraw/zinc/57/40/85/1033574085.db2.gz CUNYZJNBEJDMOJ-GFCCVEGCSA-N 1 2 348.393 3.530 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000529208271 1033603643 /nfs/dbraw/zinc/60/36/43/1033603643.db2.gz QDEOKXNIKFWODR-HNNXBMFYSA-N 1 2 341.455 3.712 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cn3ccsc3n2)s1 ZINC000598957534 1033610182 /nfs/dbraw/zinc/61/01/82/1033610182.db2.gz XGURUVBDBAQZIH-UHFFFAOYSA-N 1 2 349.481 3.702 20 0 EHADLO Clc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)o1 ZINC000685612103 1033617031 /nfs/dbraw/zinc/61/70/31/1033617031.db2.gz IXNXRZPRQMKIOR-UHFFFAOYSA-N 1 2 340.608 3.633 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2noc3c2CCCC3)s1 ZINC000598974522 1033620761 /nfs/dbraw/zinc/62/07/61/1033620761.db2.gz RFTWWPMREQQAPU-UHFFFAOYSA-N 1 2 348.468 3.860 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000529244703 1033643090 /nfs/dbraw/zinc/64/30/90/1033643090.db2.gz XKBJAKXHAVMZEI-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000529244703 1033643100 /nfs/dbraw/zinc/64/31/00/1033643100.db2.gz XKBJAKXHAVMZEI-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(C)CCC[C@H]1C ZINC000450052117 1033669317 /nfs/dbraw/zinc/66/93/17/1033669317.db2.gz YPKUZHBRBSNDKD-DYESRHJHSA-N 1 2 343.515 3.973 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC000450052120 1033670296 /nfs/dbraw/zinc/67/02/96/1033670296.db2.gz YPKUZHBRBSNDKD-UWJYYQICSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1nnc2ccccn21 ZINC000081009475 1033716059 /nfs/dbraw/zinc/71/60/59/1033716059.db2.gz DRUYCWPFMHHAFP-GFCCVEGCSA-N 1 2 332.354 3.524 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000081009475 1033716070 /nfs/dbraw/zinc/71/60/70/1033716070.db2.gz DRUYCWPFMHHAFP-GFCCVEGCSA-N 1 2 332.354 3.524 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)[C@H](C)CO1 ZINC000608498606 1033729802 /nfs/dbraw/zinc/72/98/02/1033729802.db2.gz ACDWWTZRSNHZKG-LZJOCLMNSA-N 1 2 339.435 3.597 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)[C@H](C)CO1 ZINC000608498606 1033729815 /nfs/dbraw/zinc/72/98/15/1033729815.db2.gz ACDWWTZRSNHZKG-LZJOCLMNSA-N 1 2 339.435 3.597 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Cc2ccccc2)ccc1O ZINC000081459818 1033751811 /nfs/dbraw/zinc/75/18/11/1033751811.db2.gz RTFGBPMIAFNUIB-UHFFFAOYSA-N 1 2 335.407 3.598 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccsc2)C[C@H](C)O1 ZINC000046344052 1033755727 /nfs/dbraw/zinc/75/57/27/1033755727.db2.gz JIUHPEAGRVKIAA-GASCZTMLSA-N 1 2 344.480 3.539 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccsc2)C[C@H](C)O1 ZINC000046344052 1033755743 /nfs/dbraw/zinc/75/57/43/1033755743.db2.gz JIUHPEAGRVKIAA-GASCZTMLSA-N 1 2 344.480 3.539 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2F)[C@H](C)C1 ZINC000575063416 1033773689 /nfs/dbraw/zinc/77/36/89/1033773689.db2.gz UTEPMGUENDZPRC-SKDRFNHKSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2F)[C@H](C)C1 ZINC000575063416 1033773705 /nfs/dbraw/zinc/77/37/05/1033773705.db2.gz UTEPMGUENDZPRC-SKDRFNHKSA-N 1 2 334.204 3.727 20 0 EHADLO CCc1nc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000533922139 1033779173 /nfs/dbraw/zinc/77/91/73/1033779173.db2.gz HHLLHTIKKQNREW-CYBMUJFWSA-N 1 2 330.375 3.548 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000599171946 1033786761 /nfs/dbraw/zinc/78/67/61/1033786761.db2.gz MDYDOXZBEXCRQS-GOSISDBHSA-N 1 2 328.437 3.709 20 0 EHADLO Brc1ccc(CCNc2[nH+]cccc2-n2cccc2)nc1 ZINC001168308209 1033845709 /nfs/dbraw/zinc/84/57/09/1033845709.db2.gz UFCUQKWILUWYJJ-UHFFFAOYSA-N 1 2 343.228 3.684 20 0 EHADLO Cc1cc(F)cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000174266752 1033853484 /nfs/dbraw/zinc/85/34/84/1033853484.db2.gz GDSZLEGYWFFWBC-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO CCCCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000608727866 1033867823 /nfs/dbraw/zinc/86/78/23/1033867823.db2.gz VTTXNECZNFCFAZ-GOSISDBHSA-N 1 2 340.471 3.678 20 0 EHADLO CCCN(CC(C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608729755 1033868126 /nfs/dbraw/zinc/86/81/26/1033868126.db2.gz YRSYBCRXQAYNAK-SFHVURJKSA-N 1 2 342.487 3.782 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)c(Br)c1 ZINC000658095901 1033926623 /nfs/dbraw/zinc/92/66/23/1033926623.db2.gz ANVAYNBJRDHHCU-ZDMBXUJBSA-N 1 2 339.212 3.536 20 0 EHADLO Cc1ccc(-c2nc(CC(=O)Nc3ccc4[nH+]ccn4c3)cs2)o1 ZINC000603785799 1033934617 /nfs/dbraw/zinc/93/46/17/1033934617.db2.gz IZASKGWPLOUKKY-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808579 1033940106 /nfs/dbraw/zinc/94/01/06/1033940106.db2.gz CIESTABZHVKGQN-OAHLLOKOSA-N 1 2 335.407 3.792 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000450241983 1033945505 /nfs/dbraw/zinc/94/55/05/1033945505.db2.gz HTBQMRAXZUPJKK-GUDVDZBRSA-N 1 2 337.467 3.710 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000450230397 1033946440 /nfs/dbraw/zinc/94/64/40/1033946440.db2.gz PRJXSNYUJOSETF-UHFFFAOYSA-N 1 2 343.492 3.860 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000595685812 1033947979 /nfs/dbraw/zinc/94/79/79/1033947979.db2.gz VWJCVVSUZSWKJX-NHCUHLMSSA-N 1 2 344.414 3.628 20 0 EHADLO Brc1ccoc1CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000227363299 1033948819 /nfs/dbraw/zinc/94/88/19/1033948819.db2.gz ZIEVMQMGUJPHQL-ZDUSSCGKSA-N 1 2 339.233 3.562 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000595694971 1033949184 /nfs/dbraw/zinc/94/91/84/1033949184.db2.gz XKIQTTBJLBHXMF-KRWDZBQOSA-N 1 2 333.407 3.521 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000595776831 1033997278 /nfs/dbraw/zinc/99/72/78/1033997278.db2.gz TZKRYLOZDHANOD-OAHLLOKOSA-N 1 2 335.341 3.519 20 0 EHADLO CCOC(=O)CCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595844674 1034008775 /nfs/dbraw/zinc/00/87/75/1034008775.db2.gz JSVYHQWGJGVKQQ-AWEZNQCLSA-N 1 2 326.234 3.539 20 0 EHADLO CCOC(=O)CCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595844674 1034008793 /nfs/dbraw/zinc/00/87/93/1034008793.db2.gz JSVYHQWGJGVKQQ-AWEZNQCLSA-N 1 2 326.234 3.539 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(OCc2ccncc2)cc1 ZINC000603885461 1034009418 /nfs/dbraw/zinc/00/94/18/1034009418.db2.gz UNBQFOSDYUJVHK-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579230 1034022737 /nfs/dbraw/zinc/02/27/37/1034022737.db2.gz AHEPNAQHDLPKCF-HIFRSBDPSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579230 1034022751 /nfs/dbraw/zinc/02/27/51/1034022751.db2.gz AHEPNAQHDLPKCF-HIFRSBDPSA-N 1 2 336.476 3.772 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1Cl ZINC000450271552 1034024539 /nfs/dbraw/zinc/02/45/39/1034024539.db2.gz RGBJWZMFIGMMSZ-CQSZACIVSA-N 1 2 334.803 3.760 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1Cl ZINC000450271552 1034024559 /nfs/dbraw/zinc/02/45/59/1034024559.db2.gz RGBJWZMFIGMMSZ-CQSZACIVSA-N 1 2 334.803 3.760 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)s1 ZINC000658226392 1034086610 /nfs/dbraw/zinc/08/66/10/1034086610.db2.gz OABYQHLCZNUZOJ-JTQLQIEISA-N 1 2 340.290 3.813 20 0 EHADLO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000534081657 1034092264 /nfs/dbraw/zinc/09/22/64/1034092264.db2.gz DKDIYLNYJKXFJW-CQSZACIVSA-N 1 2 326.396 3.520 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529525729 1034137514 /nfs/dbraw/zinc/13/75/14/1034137514.db2.gz LZCDJQVUQOBRBZ-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529525729 1034137519 /nfs/dbraw/zinc/13/75/19/1034137519.db2.gz LZCDJQVUQOBRBZ-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000604034503 1034163092 /nfs/dbraw/zinc/16/30/92/1034163092.db2.gz NCYYTZDNZVWJDY-SQNIBIBYSA-N 1 2 329.488 3.503 20 0 EHADLO COC(=O)[C@@H]1CC12CCN(c1cc[nH+]c3cc(F)c(Cl)cc31)CC2 ZINC000450335491 1034164136 /nfs/dbraw/zinc/16/41/36/1034164136.db2.gz YLVUTXHSXXFOKE-LBPRGKRZSA-N 1 2 348.805 3.807 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)n2C2CC2)ccc1OC(C)C ZINC000120822006 1034175324 /nfs/dbraw/zinc/17/53/24/1034175324.db2.gz JEGGLOIXJLWZJP-ZDUSSCGKSA-N 1 2 344.459 3.568 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000119821406 1034230806 /nfs/dbraw/zinc/23/08/06/1034230806.db2.gz OWENXQLBWQOLFZ-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000119821406 1034230817 /nfs/dbraw/zinc/23/08/17/1034230817.db2.gz OWENXQLBWQOLFZ-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000120903999 1034252112 /nfs/dbraw/zinc/25/21/12/1034252112.db2.gz MWGBICFRPLSWGV-KRWDZBQOSA-N 1 2 339.483 3.569 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C(C)C ZINC000456298634 1034289625 /nfs/dbraw/zinc/28/96/25/1034289625.db2.gz RUPJHTGXMHDASU-OALUTQOASA-N 1 2 325.456 3.684 20 0 EHADLO C[C@H](c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416904 1034304508 /nfs/dbraw/zinc/30/45/08/1034304508.db2.gz BEFBLYIWCNQDIM-OCWCGTNQSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@H](c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416904 1034304517 /nfs/dbraw/zinc/30/45/17/1034304517.db2.gz BEFBLYIWCNQDIM-OCWCGTNQSA-N 1 2 333.419 3.694 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(OC2CCCC2)cc1 ZINC000604267727 1034309201 /nfs/dbraw/zinc/30/92/01/1034309201.db2.gz AMJZEOLZQQBXHW-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614384 1034323566 /nfs/dbraw/zinc/32/35/66/1034323566.db2.gz XJJNCFWJUVHYJD-CWRNSKLLSA-N 1 2 347.484 3.846 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614384 1034323574 /nfs/dbraw/zinc/32/35/74/1034323574.db2.gz XJJNCFWJUVHYJD-CWRNSKLLSA-N 1 2 347.484 3.846 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000534299246 1034356410 /nfs/dbraw/zinc/35/64/10/1034356410.db2.gz CQFLWHVXMFWKBK-LSDHHAIUSA-N 1 2 334.341 3.881 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299046 1034356471 /nfs/dbraw/zinc/35/64/71/1034356471.db2.gz LBDPXTCGVSWHEV-UHFFFAOYSA-N 1 2 337.448 3.728 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H]2CCc3ccc(C)cc32)cs1)C1CC1 ZINC000604416156 1034370120 /nfs/dbraw/zinc/37/01/20/1034370120.db2.gz JYDAELRHJDUIIY-SFHVURJKSA-N 1 2 341.480 3.744 20 0 EHADLO OCCCCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450493018 1034427486 /nfs/dbraw/zinc/42/74/86/1034427486.db2.gz YTSDGSQTCZYECM-UHFFFAOYSA-N 1 2 327.197 3.711 20 0 EHADLO CC(C)(C)n1ncnc1CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450506206 1034441035 /nfs/dbraw/zinc/44/10/35/1034441035.db2.gz IGOGVVADLIVCIH-UHFFFAOYSA-N 1 2 333.798 3.986 20 0 EHADLO Cc1cc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000604758761 1034499907 /nfs/dbraw/zinc/49/99/07/1034499907.db2.gz UNUAGHDAQTXKAN-CQSZACIVSA-N 1 2 342.874 3.676 20 0 EHADLO Cc1cc(NCc2ccnc(Oc3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000604757112 1034500976 /nfs/dbraw/zinc/50/09/76/1034500976.db2.gz VAHHFNBYTUBYBU-UHFFFAOYSA-N 1 2 332.407 3.884 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1c1cc(N2CCCC2)[nH+]cn1 ZINC000450573678 1034535621 /nfs/dbraw/zinc/53/56/21/1034535621.db2.gz XBUNSWXPNUIIJH-XQQFMLRXSA-N 1 2 328.382 3.633 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1c1cc(N2CCCC2)nc[nH+]1 ZINC000450573678 1034535632 /nfs/dbraw/zinc/53/56/32/1034535632.db2.gz XBUNSWXPNUIIJH-XQQFMLRXSA-N 1 2 328.382 3.633 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CC2 ZINC000431636799 1034559109 /nfs/dbraw/zinc/55/91/09/1034559109.db2.gz XQHLFLHKNDKJOK-QGZVFWFLSA-N 1 2 333.391 3.754 20 0 EHADLO OC[C@H](CC(F)(F)F)Nc1cc[nH+]c2c(Br)cccc12 ZINC000534500651 1034610349 /nfs/dbraw/zinc/61/03/49/1034610349.db2.gz UGADOVBIRJRAIE-QMMMGPOBSA-N 1 2 349.150 3.723 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121290564 1034636018 /nfs/dbraw/zinc/63/60/18/1034636018.db2.gz LUQKRWUVXWDILY-RCCFBDPRSA-N 1 2 342.826 3.518 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000534526819 1034647105 /nfs/dbraw/zinc/64/71/05/1034647105.db2.gz KAYMUYHHBSLDDG-INIZCTEOSA-N 1 2 328.481 3.504 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1)c1cccs1 ZINC000605156512 1034655400 /nfs/dbraw/zinc/65/54/00/1034655400.db2.gz XVKXSSTUXZSOFY-PBHICJAKSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1)c1cccs1 ZINC000605156512 1034655405 /nfs/dbraw/zinc/65/54/05/1034655405.db2.gz XVKXSSTUXZSOFY-PBHICJAKSA-N 1 2 346.521 3.715 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546174 1034657093 /nfs/dbraw/zinc/65/70/93/1034657093.db2.gz WUSALXNPKGWBGC-OAHLLOKOSA-N 1 2 342.361 3.607 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546174 1034657103 /nfs/dbraw/zinc/65/71/03/1034657103.db2.gz WUSALXNPKGWBGC-OAHLLOKOSA-N 1 2 342.361 3.607 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000450667956 1034666408 /nfs/dbraw/zinc/66/64/08/1034666408.db2.gz MGEVYOSDHXUGBQ-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000450667683 1034668404 /nfs/dbraw/zinc/66/84/04/1034668404.db2.gz WQBAJNLRMOYZDJ-GFCCVEGCSA-N 1 2 335.473 3.920 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)n1 ZINC000450674997 1034700591 /nfs/dbraw/zinc/70/05/91/1034700591.db2.gz CRGNENNYUVVYPM-OAHLLOKOSA-N 1 2 340.395 3.695 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000375847167 1034708449 /nfs/dbraw/zinc/70/84/49/1034708449.db2.gz ALVOCBFOQBJXLI-IXDOHACOSA-N 1 2 343.471 3.808 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2oc3ccccc3c2C)n1 ZINC000450722439 1034708655 /nfs/dbraw/zinc/70/86/55/1034708655.db2.gz BRDGNBPULMCICZ-LLVKDONJSA-N 1 2 330.409 3.835 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000450767224 1034761037 /nfs/dbraw/zinc/76/10/37/1034761037.db2.gz ZFYOSKWFAGARGO-KBPBESRZSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1C[C@@H]1CCCCC1(F)F)c1cccs1 ZINC000450767224 1034761048 /nfs/dbraw/zinc/76/10/48/1034761048.db2.gz ZFYOSKWFAGARGO-KBPBESRZSA-N 1 2 343.439 3.847 20 0 EHADLO Cc1csc(C(=O)NCc2c[nH+]c(C)cc2C)c1Br ZINC000456831868 1034774188 /nfs/dbraw/zinc/77/41/88/1034774188.db2.gz FFAIPUHESWXSKA-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)s1 ZINC000450756767 1034778363 /nfs/dbraw/zinc/77/83/63/1034778363.db2.gz LRYFWFXTKAXCEB-QGZVFWFLSA-N 1 2 344.528 3.662 20 0 EHADLO Cc1cc(C)c(CNC(=O)CSc2ccc3c(c2)CCC3)c[nH+]1 ZINC000456841555 1034787669 /nfs/dbraw/zinc/78/76/69/1034787669.db2.gz FKWIHWNFXMDHLI-UHFFFAOYSA-N 1 2 326.465 3.596 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000375891543 1034843131 /nfs/dbraw/zinc/84/31/31/1034843131.db2.gz WGWIGZNTDQUPPV-PELKAZGASA-N 1 2 339.363 3.597 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530039588 1034893230 /nfs/dbraw/zinc/89/32/30/1034893230.db2.gz FIGDGTFYSYFPKF-FQEVSTJZSA-N 1 2 345.446 3.553 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530043028 1034907921 /nfs/dbraw/zinc/90/79/21/1034907921.db2.gz VFZMORVWQFVDOP-JXFKEZNVSA-N 1 2 345.446 3.789 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530043028 1034907927 /nfs/dbraw/zinc/90/79/27/1034907927.db2.gz VFZMORVWQFVDOP-JXFKEZNVSA-N 1 2 345.446 3.789 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255865687 1034924165 /nfs/dbraw/zinc/92/41/65/1034924165.db2.gz UNDNXOAZGSOATC-ZYNVHPMPSA-N 1 2 341.426 3.663 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255865687 1034924171 /nfs/dbraw/zinc/92/41/71/1034924171.db2.gz UNDNXOAZGSOATC-ZYNVHPMPSA-N 1 2 341.426 3.663 20 0 EHADLO Cc1cc2occ(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)c2cc1C ZINC000375927151 1034939945 /nfs/dbraw/zinc/93/99/45/1034939945.db2.gz KKESEXMYBHDDHN-UHFFFAOYSA-N 1 2 337.423 3.855 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931093 1034945082 /nfs/dbraw/zinc/94/50/82/1034945082.db2.gz HSAQGVBDMWGPNC-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931093 1034945084 /nfs/dbraw/zinc/94/50/84/1034945084.db2.gz HSAQGVBDMWGPNC-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450926857 1034952667 /nfs/dbraw/zinc/95/26/67/1034952667.db2.gz ABYTZZLQTROKOR-GOSISDBHSA-N 1 2 342.414 3.647 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001625883360 1035016807 /nfs/dbraw/zinc/01/68/07/1035016807.db2.gz WZBGMIOHASYTEO-RBUKOAKNSA-N 1 2 338.536 3.554 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CCc3ccccc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000451040696 1035041074 /nfs/dbraw/zinc/04/10/74/1035041074.db2.gz HEELVKXSTLHHAP-VQTJNVASSA-N 1 2 339.483 3.515 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CCc3ccccc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000451040696 1035041083 /nfs/dbraw/zinc/04/10/83/1035041083.db2.gz HEELVKXSTLHHAP-VQTJNVASSA-N 1 2 339.483 3.515 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451023621 1035043114 /nfs/dbraw/zinc/04/31/14/1035043114.db2.gz KXMRBNTYZNOIJN-UHFFFAOYSA-N 1 2 339.464 3.531 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451023621 1035043125 /nfs/dbraw/zinc/04/31/25/1035043125.db2.gz KXMRBNTYZNOIJN-UHFFFAOYSA-N 1 2 339.464 3.531 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1(C)C ZINC000612552971 1035055952 /nfs/dbraw/zinc/05/59/52/1035055952.db2.gz POWYDLGIGQWGJR-IEBWSBKVSA-N 1 2 341.499 3.927 20 0 EHADLO CCC[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000612580656 1035070082 /nfs/dbraw/zinc/07/00/82/1035070082.db2.gz BQIWGRVTXNKCIB-KRWDZBQOSA-N 1 2 333.863 3.969 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892505718 1035092753 /nfs/dbraw/zinc/09/27/53/1035092753.db2.gz HVMSXQYCCHGWDQ-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(C3CCC3)cn1)C2 ZINC000647487785 1035100049 /nfs/dbraw/zinc/10/00/49/1035100049.db2.gz CNJADURQJLSAHS-AWEZNQCLSA-N 1 2 338.455 3.939 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C3CCC3)cn1)CC2 ZINC000647487785 1035100052 /nfs/dbraw/zinc/10/00/52/1035100052.db2.gz CNJADURQJLSAHS-AWEZNQCLSA-N 1 2 338.455 3.939 20 0 EHADLO Cc1ccc2sc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2c1 ZINC000685790954 1035132825 /nfs/dbraw/zinc/13/28/25/1035132825.db2.gz PNDGHZFTWALBAS-HNNXBMFYSA-N 1 2 337.448 3.613 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000066155697 1035268240 /nfs/dbraw/zinc/26/82/40/1035268240.db2.gz IXCSISFDYMKAFB-UHFFFAOYSA-N 1 2 329.778 3.615 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000066155697 1035268243 /nfs/dbraw/zinc/26/82/43/1035268243.db2.gz IXCSISFDYMKAFB-UHFFFAOYSA-N 1 2 329.778 3.615 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@](C)(Cc1ccccc1)c1ccccc1 ZINC000414049157 1035403873 /nfs/dbraw/zinc/40/38/73/1035403873.db2.gz FRUAJGIMZLLLAF-JOCHJYFZSA-N 1 2 347.462 3.627 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685849587 1035412437 /nfs/dbraw/zinc/41/24/37/1035412437.db2.gz PLTNGIAZGPQRNI-HKUYNNGSSA-N 1 2 327.472 3.836 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685849587 1035412441 /nfs/dbraw/zinc/41/24/41/1035412441.db2.gz PLTNGIAZGPQRNI-HKUYNNGSSA-N 1 2 327.472 3.836 20 0 EHADLO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414069937 1035436058 /nfs/dbraw/zinc/43/60/58/1035436058.db2.gz CAPBRYKWNQMGDV-SMDDNHRTSA-N 1 2 346.452 3.667 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000177937174 1035460366 /nfs/dbraw/zinc/46/03/66/1035460366.db2.gz UIPOSVWWDIRRDT-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000177937174 1035460368 /nfs/dbraw/zinc/46/03/68/1035460368.db2.gz UIPOSVWWDIRRDT-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000456883632 1035498530 /nfs/dbraw/zinc/49/85/30/1035498530.db2.gz WUPSRDDJELIXTK-DOTOQJQBSA-N 1 2 345.874 3.849 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CCCC[C@H]1C ZINC000511475012 1035508737 /nfs/dbraw/zinc/50/87/37/1035508737.db2.gz SISZJZBUXMKYRV-TVFCKZIOSA-N 1 2 329.488 3.581 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CCCC[C@H]1C ZINC000511475009 1035509339 /nfs/dbraw/zinc/50/93/39/1035509339.db2.gz SISZJZBUXMKYRV-BRSBDYLESA-N 1 2 329.488 3.581 20 0 EHADLO C[C@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000613315265 1035543446 /nfs/dbraw/zinc/54/34/46/1035543446.db2.gz JKAPKIHZHHJVCE-ZDUSSCGKSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000613315265 1035543460 /nfs/dbraw/zinc/54/34/60/1035543460.db2.gz JKAPKIHZHHJVCE-ZDUSSCGKSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000571645800 1035581664 /nfs/dbraw/zinc/58/16/64/1035581664.db2.gz IPDLEKZPHAXPBG-SMDDNHRTSA-N 1 2 343.324 3.783 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000463536013 1035620289 /nfs/dbraw/zinc/62/02/89/1035620289.db2.gz MYRSNSAZJXWUFQ-ROUUACIJSA-N 1 2 343.471 3.747 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000463590385 1035661961 /nfs/dbraw/zinc/66/19/61/1035661961.db2.gz OYDNFLZRJYGISK-YFHUEUNASA-N 1 2 330.472 3.671 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414130359 1035681421 /nfs/dbraw/zinc/68/14/21/1035681421.db2.gz JKRUKLXSVPMLCN-QWRGUYRKSA-N 1 2 338.249 3.603 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929378 1035715390 /nfs/dbraw/zinc/71/53/90/1035715390.db2.gz OUDPAMCMFVWMNF-UHFFFAOYSA-N 1 2 331.375 3.891 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccc(F)cc1 ZINC000534863393 1035725147 /nfs/dbraw/zinc/72/51/47/1035725147.db2.gz CIHMYRBRPYBFHQ-IBGZPJMESA-N 1 2 346.471 3.759 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccc(F)cc1 ZINC000534863393 1035725165 /nfs/dbraw/zinc/72/51/65/1035725165.db2.gz CIHMYRBRPYBFHQ-IBGZPJMESA-N 1 2 346.471 3.759 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457116617 1035728900 /nfs/dbraw/zinc/72/89/00/1035728900.db2.gz KASHCUDLVZIPEE-WBVHZDCISA-N 1 2 331.847 3.769 20 0 EHADLO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012075 1035755410 /nfs/dbraw/zinc/75/54/10/1035755410.db2.gz CHDCXWCGWIJXGF-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000174012075 1035755428 /nfs/dbraw/zinc/75/54/28/1035755428.db2.gz CHDCXWCGWIJXGF-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1nc(C)cs1 ZINC000187112691 1035765560 /nfs/dbraw/zinc/76/55/60/1035765560.db2.gz NWMBKBCQYFICED-UHFFFAOYSA-N 1 2 325.437 3.812 20 0 EHADLO Cc1ccc(C[S@@](=O)CCCOCCc2ccccc2)c(C)[nH+]1 ZINC000187145444 1035767134 /nfs/dbraw/zinc/76/71/34/1035767134.db2.gz SOVCGWTUZXTGNC-QHCPKHFHSA-N 1 2 331.481 3.597 20 0 EHADLO O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000666168378 1035774475 /nfs/dbraw/zinc/77/44/75/1035774475.db2.gz WCCMJZWBHGBFMW-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2nnc(-c3ccccc3)s2)c(C)[nH+]1 ZINC000187180222 1035781262 /nfs/dbraw/zinc/78/12/62/1035781262.db2.gz QIIIQMUBFAGRIA-QHCPKHFHSA-N 1 2 343.477 3.666 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000588169060 1035796368 /nfs/dbraw/zinc/79/63/68/1035796368.db2.gz QQVWFQSWEWRZGW-GOSISDBHSA-N 1 2 344.455 3.768 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000588169060 1035796382 /nfs/dbraw/zinc/79/63/82/1035796382.db2.gz QQVWFQSWEWRZGW-GOSISDBHSA-N 1 2 344.455 3.768 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2ccccc2SC(F)(F)F)n1 ZINC000926745846 1035798780 /nfs/dbraw/zinc/79/87/80/1035798780.db2.gz ISDPURVWUGOMQC-SNVBAGLBSA-N 1 2 330.379 3.761 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ncc(Br)cc1F ZINC000414152800 1035799162 /nfs/dbraw/zinc/79/91/62/1035799162.db2.gz YHPDTGQFFYYFBN-DTWKUNHWSA-N 1 2 342.187 3.929 20 0 EHADLO CC(C)C[C@H](C(=O)NCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000613413000 1035804924 /nfs/dbraw/zinc/80/49/24/1035804924.db2.gz IUPCUAKUBLKDDX-KRWDZBQOSA-N 1 2 333.863 3.562 20 0 EHADLO CC(C)(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1=CCCC1 ZINC000457181942 1035828191 /nfs/dbraw/zinc/82/81/91/1035828191.db2.gz NJJXENZLIVDUFK-UHFFFAOYSA-N 1 2 337.467 3.727 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1cc2n(n1)CCC2 ZINC000414163627 1035835352 /nfs/dbraw/zinc/83/53/52/1035835352.db2.gz NJBORIIDIRUQQJ-OAHLLOKOSA-N 1 2 342.487 3.890 20 0 EHADLO Cc1ccc(CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000588269807 1035872088 /nfs/dbraw/zinc/87/20/88/1035872088.db2.gz XXMGNTNKEFOZPA-UHFFFAOYSA-N 1 2 340.471 3.548 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3ccccc3)CC(C)C)[nH+]c12 ZINC000588359933 1035909927 /nfs/dbraw/zinc/90/99/27/1035909927.db2.gz MIJKVULAMUAQQI-UHFFFAOYSA-N 1 2 335.451 3.870 20 0 EHADLO CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000588362932 1035921784 /nfs/dbraw/zinc/92/17/84/1035921784.db2.gz RWTFKSACOXTQGP-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457284131 1035939665 /nfs/dbraw/zinc/93/96/65/1035939665.db2.gz QEOHNGSWWVAYEN-IEBWSBKVSA-N 1 2 335.451 3.589 20 0 EHADLO c1coc(C[N@H+](Cc2ccccc2)Cc2cnc(N3CCCC3)nc2)c1 ZINC000535068663 1035988623 /nfs/dbraw/zinc/98/86/23/1035988623.db2.gz QZQAHXCNULRCMP-UHFFFAOYSA-N 1 2 348.450 3.872 20 0 EHADLO c1coc(C[N@@H+](Cc2ccccc2)Cc2cnc(N3CCCC3)nc2)c1 ZINC000535068663 1035988631 /nfs/dbraw/zinc/98/86/31/1035988631.db2.gz QZQAHXCNULRCMP-UHFFFAOYSA-N 1 2 348.450 3.872 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)n1 ZINC000189088752 1036013435 /nfs/dbraw/zinc/01/34/35/1036013435.db2.gz GRMUBNPZPPAUJU-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)n1 ZINC000189088752 1036013455 /nfs/dbraw/zinc/01/34/55/1036013455.db2.gz GRMUBNPZPPAUJU-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CCn1ccc(C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000414201513 1036028781 /nfs/dbraw/zinc/02/87/81/1036028781.db2.gz CELXZVLETPFMAM-MRXNPFEDSA-N 1 2 337.471 3.865 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000613484205 1036037347 /nfs/dbraw/zinc/03/73/47/1036037347.db2.gz RSBGEDSFGKZPLI-UHFFFAOYSA-N 1 2 332.488 3.698 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000613484205 1036037368 /nfs/dbraw/zinc/03/73/68/1036037368.db2.gz RSBGEDSFGKZPLI-UHFFFAOYSA-N 1 2 332.488 3.698 20 0 EHADLO CCN(C(=O)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000669893091 1036050260 /nfs/dbraw/zinc/05/02/60/1036050260.db2.gz DNRFHLJEFOMQJV-UHFFFAOYSA-N 1 2 325.334 3.735 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000414206960 1036067666 /nfs/dbraw/zinc/06/76/66/1036067666.db2.gz GGCOKCFHBJRBHL-LLVKDONJSA-N 1 2 326.625 3.534 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457396889 1036087559 /nfs/dbraw/zinc/08/75/59/1036087559.db2.gz ZEEREDWZUDENBS-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000024749655 1036131697 /nfs/dbraw/zinc/13/16/97/1036131697.db2.gz KQFRJVFSNJTEQM-UHFFFAOYSA-N 1 2 349.478 3.764 20 0 EHADLO CSCc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000130111975 1036143797 /nfs/dbraw/zinc/14/37/97/1036143797.db2.gz IEHDDQBDUMCYHK-QGZVFWFLSA-N 1 2 343.452 3.630 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174906178 1036160730 /nfs/dbraw/zinc/16/07/30/1036160730.db2.gz KCBHJJORYZVJOI-LBPRGKRZSA-N 1 2 339.270 3.610 20 0 EHADLO CCc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000492679533 1036167142 /nfs/dbraw/zinc/16/71/42/1036167142.db2.gz GURDZKRVLXXGJK-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO CCc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000492679533 1036167152 /nfs/dbraw/zinc/16/71/52/1036167152.db2.gz GURDZKRVLXXGJK-HXUWFJFHSA-N 1 2 329.415 3.840 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)ccc1F ZINC000541326434 1036204511 /nfs/dbraw/zinc/20/45/11/1036204511.db2.gz DWDKNFQHRIOBBS-KRWDZBQOSA-N 1 2 337.435 3.629 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)ccc1F ZINC000541326434 1036204527 /nfs/dbraw/zinc/20/45/27/1036204527.db2.gz DWDKNFQHRIOBBS-KRWDZBQOSA-N 1 2 337.435 3.629 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2ccccc2C(F)(F)F)c1OC ZINC000190312952 1036221491 /nfs/dbraw/zinc/22/14/91/1036221491.db2.gz LIXNQUDUOVEJSK-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1OC ZINC000190312952 1036221509 /nfs/dbraw/zinc/22/15/09/1036221509.db2.gz LIXNQUDUOVEJSK-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000457547537 1036272048 /nfs/dbraw/zinc/27/20/48/1036272048.db2.gz ICZZUQLGVOXWTC-CYBMUJFWSA-N 1 2 343.393 3.667 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2nccn2-c2ccccc2)c(C)c1 ZINC000190675785 1036273943 /nfs/dbraw/zinc/27/39/43/1036273943.db2.gz JZQYDIMDYIWDRX-UHFFFAOYSA-N 1 2 348.450 3.526 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CC(C(C)(C)C)C1 ZINC000457573173 1036295969 /nfs/dbraw/zinc/29/59/69/1036295969.db2.gz JJNWWKFYYSJNIG-UHFFFAOYSA-N 1 2 344.499 3.838 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(Cl)cc1 ZINC000414255905 1036305260 /nfs/dbraw/zinc/30/52/60/1036305260.db2.gz DIGXVMGVOUWAPA-HNNXBMFYSA-N 1 2 329.835 3.655 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3ccccc3)o2)CC2(CCCC2)O1 ZINC000190963026 1036310111 /nfs/dbraw/zinc/31/01/11/1036310111.db2.gz QCDNVJSNHWDGDA-UHFFFAOYSA-N 1 2 327.428 3.660 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccccc3)o2)CC2(CCCC2)O1 ZINC000190963026 1036310134 /nfs/dbraw/zinc/31/01/34/1036310134.db2.gz QCDNVJSNHWDGDA-UHFFFAOYSA-N 1 2 327.428 3.660 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414257455 1036313265 /nfs/dbraw/zinc/31/32/65/1036313265.db2.gz OSFJAJISEAKXRH-NSHDSACASA-N 1 2 325.334 3.745 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc2c(c1)CCO2 ZINC000897418409 1036320035 /nfs/dbraw/zinc/32/00/35/1036320035.db2.gz OBHDOQARJAKPAE-SECBINFHSA-N 1 2 328.359 3.948 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000589283395 1036340983 /nfs/dbraw/zinc/34/09/83/1036340983.db2.gz HPIAHHOXLVCWRQ-SJORKVTESA-N 1 2 329.488 3.583 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1cccs1 ZINC000249730932 1036369041 /nfs/dbraw/zinc/36/90/41/1036369041.db2.gz TURCCLBMGVZYTC-CJNGLKHVSA-N 1 2 332.444 3.902 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)c1cccs1 ZINC000249730932 1036369053 /nfs/dbraw/zinc/36/90/53/1036369053.db2.gz TURCCLBMGVZYTC-CJNGLKHVSA-N 1 2 332.444 3.902 20 0 EHADLO CCN(C)c1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cn1 ZINC000191346210 1036369711 /nfs/dbraw/zinc/36/97/11/1036369711.db2.gz CNRPDOULZLWWRJ-UHFFFAOYSA-N 1 2 328.441 3.544 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249731633 1036376187 /nfs/dbraw/zinc/37/61/87/1036376187.db2.gz TZVORZWSRPMMSP-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249731633 1036376204 /nfs/dbraw/zinc/37/62/04/1036376204.db2.gz TZVORZWSRPMMSP-DOMZBBRYSA-N 1 2 339.277 3.501 20 0 EHADLO Fc1cc(NCc2nccn2-c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000191408440 1036378668 /nfs/dbraw/zinc/37/86/68/1036378668.db2.gz IQLHLFUURKSARF-UHFFFAOYSA-N 1 2 333.370 3.809 20 0 EHADLO C=CCOc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000056626048 1036387239 /nfs/dbraw/zinc/38/72/39/1036387239.db2.gz XZBFQYHQGQVZPB-QGZVFWFLSA-N 1 2 342.443 3.684 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457679643 1036387657 /nfs/dbraw/zinc/38/76/57/1036387657.db2.gz VMWKMSDEUAKTRJ-OAHLLOKOSA-N 1 2 345.874 3.658 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2COCc3ccccc32)nnn1-c1ccc(C)cc1 ZINC000572585722 1036390132 /nfs/dbraw/zinc/39/01/32/1036390132.db2.gz LWDAGWKRJRNPSW-FOIQADDNSA-N 1 2 348.450 3.806 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157018123 1036396625 /nfs/dbraw/zinc/39/66/25/1036396625.db2.gz ZSWSACMNLHIXDI-DGCLKSJQSA-N 1 2 326.387 3.625 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157018123 1036396644 /nfs/dbraw/zinc/39/66/44/1036396644.db2.gz ZSWSACMNLHIXDI-DGCLKSJQSA-N 1 2 326.387 3.625 20 0 EHADLO CCCOc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)cc1OCCC ZINC001625885068 1036414526 /nfs/dbraw/zinc/41/45/26/1036414526.db2.gz ZCKBLQMFMQVGRL-UHFFFAOYSA-N 1 2 342.439 3.950 20 0 EHADLO O=C(c1cccc2[nH]ccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541532583 1036429127 /nfs/dbraw/zinc/42/91/27/1036429127.db2.gz IYNQWIOLAQFHPS-UHFFFAOYSA-N 1 2 336.439 3.697 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000470908966 1036571466 /nfs/dbraw/zinc/57/14/66/1036571466.db2.gz LQYYHYCJJGMMJD-ZBEGNZNMSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000470908966 1036571485 /nfs/dbraw/zinc/57/14/85/1036571485.db2.gz LQYYHYCJJGMMJD-ZBEGNZNMSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000193379235 1036597933 /nfs/dbraw/zinc/59/79/33/1036597933.db2.gz DPNDZXRZEBWLDK-HXUWFJFHSA-N 1 2 331.419 3.669 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000193379235 1036597943 /nfs/dbraw/zinc/59/79/43/1036597943.db2.gz DPNDZXRZEBWLDK-HXUWFJFHSA-N 1 2 331.419 3.669 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000008036614 1036632836 /nfs/dbraw/zinc/63/28/36/1036632836.db2.gz CRVUWACTZODYHI-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000008036614 1036632848 /nfs/dbraw/zinc/63/28/48/1036632848.db2.gz CRVUWACTZODYHI-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000491248202 1036634346 /nfs/dbraw/zinc/63/43/46/1036634346.db2.gz BAHUYGXZFMHTHJ-LEJCZOIISA-N 1 2 339.370 3.500 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000589954670 1036679706 /nfs/dbraw/zinc/67/97/06/1036679706.db2.gz AYDWZLLRUOUSPQ-INIZCTEOSA-N 1 2 348.450 3.523 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425828 1036682195 /nfs/dbraw/zinc/68/21/95/1036682195.db2.gz JFMMXEIVHGQGGT-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425828 1036682208 /nfs/dbraw/zinc/68/22/08/1036682208.db2.gz JFMMXEIVHGQGGT-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO Cn1c(=S)n(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000057089891 1036684505 /nfs/dbraw/zinc/68/45/05/1036684505.db2.gz SNXIMCHGWWTDRN-QGZVFWFLSA-N 1 2 340.496 3.938 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000057089891 1036684513 /nfs/dbraw/zinc/68/45/13/1036684513.db2.gz SNXIMCHGWWTDRN-QGZVFWFLSA-N 1 2 340.496 3.938 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005684 1036696114 /nfs/dbraw/zinc/69/61/14/1036696114.db2.gz KHXWOWWLQBPXRW-UHFFFAOYSA-N 1 2 344.414 3.503 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000176806470 1036697424 /nfs/dbraw/zinc/69/74/24/1036697424.db2.gz HFOXEUMMVMIMOE-INIZCTEOSA-N 1 2 325.391 3.846 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772363 1036762575 /nfs/dbraw/zinc/76/25/75/1036762575.db2.gz MNSLMMIWRUARDO-IAQYHMDHSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CCS1 ZINC000464772363 1036762596 /nfs/dbraw/zinc/76/25/96/1036762596.db2.gz MNSLMMIWRUARDO-IAQYHMDHSA-N 1 2 344.883 3.880 20 0 EHADLO NC(=O)[C@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)c1ccccc1 ZINC000134303707 1036773253 /nfs/dbraw/zinc/77/32/53/1036773253.db2.gz BEWBQCWCKDXOGC-GOEBONIOSA-N 1 2 335.234 3.797 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590174542 1036799489 /nfs/dbraw/zinc/79/94/89/1036799489.db2.gz CGMSRPGHZUGOPT-GVDBMIGSSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cc(C)cc(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC001168183857 1036833795 /nfs/dbraw/zinc/83/37/95/1036833795.db2.gz HWRJGJAADHLGJW-UHFFFAOYSA-N 1 2 342.870 3.801 20 0 EHADLO Cc1cc(C)cc(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC001168183857 1036833813 /nfs/dbraw/zinc/83/38/13/1036833813.db2.gz HWRJGJAADHLGJW-UHFFFAOYSA-N 1 2 342.870 3.801 20 0 EHADLO Cc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC000103243322 1036860498 /nfs/dbraw/zinc/86/04/98/1036860498.db2.gz STRMSCFXWJECTI-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000541982519 1036944349 /nfs/dbraw/zinc/94/43/49/1036944349.db2.gz DUMXGWVIHCSBPF-QGZVFWFLSA-N 1 2 326.371 3.612 20 0 EHADLO COc1ccc(F)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127266246 1036954535 /nfs/dbraw/zinc/95/45/35/1036954535.db2.gz XGOVKKWODCSSJT-INIZCTEOSA-N 1 2 336.794 3.729 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590133 1036958534 /nfs/dbraw/zinc/95/85/34/1036958534.db2.gz CIRBZWSIYBQAEP-NYUZSIGZSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590133 1036958550 /nfs/dbraw/zinc/95/85/50/1036958550.db2.gz CIRBZWSIYBQAEP-NYUZSIGZSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H](N(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000360106473 1036977620 /nfs/dbraw/zinc/97/76/20/1036977620.db2.gz ZWHGWPFQMRUJNH-OAHLLOKOSA-N 1 2 328.460 3.567 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1Cl ZINC000590687082 1036990579 /nfs/dbraw/zinc/99/05/79/1036990579.db2.gz YGWHHHUFQCMALH-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCOc3ccccc3C2)cc1Cl ZINC000590687082 1036990589 /nfs/dbraw/zinc/99/05/89/1036990589.db2.gz YGWHHHUFQCMALH-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)coc2c1C ZINC000590730989 1037032498 /nfs/dbraw/zinc/03/24/98/1037032498.db2.gz LNUOXEUMMDWBNN-KRWDZBQOSA-N 1 2 337.423 3.652 20 0 EHADLO Cc1c(C(=O)NCc2ccn3cc[nH+]c3c2)sc2cccc(F)c12 ZINC000178379575 1037033430 /nfs/dbraw/zinc/03/34/30/1037033430.db2.gz VYOKBBMPBMVJPF-UHFFFAOYSA-N 1 2 339.395 3.927 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c[nH+]1 ZINC000539658161 1037037748 /nfs/dbraw/zinc/03/77/48/1037037748.db2.gz QRKVDPFQVOCJKZ-AWEZNQCLSA-N 1 2 338.455 3.986 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000462504019 1037051879 /nfs/dbraw/zinc/05/18/79/1037051879.db2.gz MCJXILOGVSWCPT-HHXXYDBFSA-N 1 2 340.471 3.531 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178623458 1037069905 /nfs/dbraw/zinc/06/99/05/1037069905.db2.gz QFGNZTSORWKBGT-UHFFFAOYSA-N 1 2 334.423 3.807 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccoc1C ZINC000414373412 1037097424 /nfs/dbraw/zinc/09/74/24/1037097424.db2.gz RZMWBHCQNPVHNW-UHFFFAOYSA-N 1 2 340.345 3.856 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccoc1C ZINC000414373412 1037097442 /nfs/dbraw/zinc/09/74/42/1037097442.db2.gz RZMWBHCQNPVHNW-UHFFFAOYSA-N 1 2 340.345 3.856 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000590854769 1037101296 /nfs/dbraw/zinc/10/12/96/1037101296.db2.gz RDCZYNKEQUFALN-UHFFFAOYSA-N 1 2 340.452 3.645 20 0 EHADLO CC[C@H]1C[C@@H](C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000465065757 1037103376 /nfs/dbraw/zinc/10/33/76/1037103376.db2.gz KCARJXVFSFJDGY-HIFRSBDPSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178987488 1037147813 /nfs/dbraw/zinc/14/78/13/1037147813.db2.gz OMKRXKBJYYUBPQ-UHFFFAOYSA-N 1 2 338.798 3.707 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000666514022 1037174258 /nfs/dbraw/zinc/17/42/58/1037174258.db2.gz URYUFUMFURTYCV-BFYDXBDKSA-N 1 2 329.419 3.566 20 0 EHADLO CC(C)CCO[C@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000068881984 1037177852 /nfs/dbraw/zinc/17/78/52/1037177852.db2.gz HNNCQTNYUDFVTR-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)c(Br)c1 ZINC000591083314 1037215228 /nfs/dbraw/zinc/21/52/28/1037215228.db2.gz DBFGHYJXYHTCGP-CHWSQXEVSA-N 1 2 339.277 3.959 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC(c1ccccc1)c1ccccc1 ZINC000591106455 1037236427 /nfs/dbraw/zinc/23/64/27/1037236427.db2.gz BSGNWKWYMGGEHO-UHFFFAOYSA-N 1 2 333.435 3.612 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000591206983 1037262409 /nfs/dbraw/zinc/26/24/09/1037262409.db2.gz ZRJNPGRKQBSUFI-UHFFFAOYSA-N 1 2 347.409 3.913 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760814510 1037275653 /nfs/dbraw/zinc/27/56/53/1037275653.db2.gz DCNQUNPGOHSKLO-IBGZPJMESA-N 1 2 344.405 3.588 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760814510 1037275673 /nfs/dbraw/zinc/27/56/73/1037275673.db2.gz DCNQUNPGOHSKLO-IBGZPJMESA-N 1 2 344.405 3.588 20 0 EHADLO CCn1nc(C)c(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1C ZINC000640141026 1037296745 /nfs/dbraw/zinc/29/67/45/1037296745.db2.gz BIKWCFMTIDXMRG-UHFFFAOYSA-N 1 2 329.448 3.504 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1c(Cl)cccc1Cl ZINC000573134287 1037297872 /nfs/dbraw/zinc/29/78/72/1037297872.db2.gz DUDHDSSDAYOJKC-QWRGUYRKSA-N 1 2 340.254 3.815 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1c(Cl)cccc1Cl ZINC000573134287 1037297887 /nfs/dbraw/zinc/29/78/87/1037297887.db2.gz DUDHDSSDAYOJKC-QWRGUYRKSA-N 1 2 340.254 3.815 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395576 1037316411 /nfs/dbraw/zinc/31/64/11/1037316411.db2.gz KHLYUJMDNMPBPT-LSDHHAIUSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395576 1037316427 /nfs/dbraw/zinc/31/64/27/1037316427.db2.gz KHLYUJMDNMPBPT-LSDHHAIUSA-N 1 2 349.521 3.838 20 0 EHADLO COc1cc(C[N@H+](C)Cc2coc(-c3cccc(F)c3)n2)ccc1O ZINC000177051613 1037340307 /nfs/dbraw/zinc/34/03/07/1037340307.db2.gz YGRFRUMIZNZABO-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)ccc1O ZINC000177051613 1037340326 /nfs/dbraw/zinc/34/03/26/1037340326.db2.gz YGRFRUMIZNZABO-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccnc1 ZINC000115472795 1037363703 /nfs/dbraw/zinc/36/37/03/1037363703.db2.gz HRNVSFKRLLFIJR-VGMNTSGFSA-N 1 2 346.434 3.890 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000493481428 1037402998 /nfs/dbraw/zinc/40/29/98/1037402998.db2.gz FZGYBSWVOMHQQL-WAYWQWQTSA-N 1 2 333.794 3.564 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000505477759 1037427252 /nfs/dbraw/zinc/42/72/52/1037427252.db2.gz WUMGMYOVNZSBCG-AEFFLSMTSA-N 1 2 344.499 3.775 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000462828923 1037431405 /nfs/dbraw/zinc/43/14/05/1037431405.db2.gz STRFKOMZOWYJHZ-JTQLQIEISA-N 1 2 328.416 3.951 20 0 EHADLO Cc1ccc(/C=C\C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000493547277 1037444596 /nfs/dbraw/zinc/44/45/96/1037444596.db2.gz FJKOOQIHGDTQSM-FYFZZSKRSA-N 1 2 325.412 3.536 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000591504935 1037452034 /nfs/dbraw/zinc/45/20/34/1037452034.db2.gz RJMOAEKEBXJYEE-IRXDYDNUSA-N 1 2 347.503 3.506 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491419497 1037466974 /nfs/dbraw/zinc/46/69/74/1037466974.db2.gz QTWFSOPKMZQYET-PLNGDYQASA-N 1 2 349.356 3.848 20 0 EHADLO CC(C)CCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000591521310 1037474746 /nfs/dbraw/zinc/47/47/46/1037474746.db2.gz LWWBPFDFFZSBHM-MRXNPFEDSA-N 1 2 333.476 3.638 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccn3)n2)ccc1F ZINC000532504018 1037529979 /nfs/dbraw/zinc/52/99/79/1037529979.db2.gz VOINCSXGVBBRGI-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccn3)n2)ccc1F ZINC000532504018 1037529992 /nfs/dbraw/zinc/52/99/92/1037529992.db2.gz VOINCSXGVBBRGI-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]1c1ccccc1 ZINC000491518582 1037534076 /nfs/dbraw/zinc/53/40/76/1037534076.db2.gz DXOXCQPHVRYNQV-WUQYLLKWSA-N 1 2 329.403 3.859 20 0 EHADLO CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505377 1037534063 /nfs/dbraw/zinc/53/40/63/1037534063.db2.gz HAEDRWSLPJXDFU-ZIAGYGMSSA-N 1 2 330.925 3.535 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nc1 ZINC000760843395 1037535000 /nfs/dbraw/zinc/53/50/00/1037535000.db2.gz JDEBRGSMHDXQDU-QGZVFWFLSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nc1 ZINC000760843395 1037535017 /nfs/dbraw/zinc/53/50/17/1037535017.db2.gz JDEBRGSMHDXQDU-QGZVFWFLSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c(C(C)C)n1 ZINC000913712074 1037658506 /nfs/dbraw/zinc/65/85/06/1037658506.db2.gz OHHQOOIMETVQNB-UHFFFAOYSA-N 1 2 348.450 3.807 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000463028402 1037658649 /nfs/dbraw/zinc/65/86/49/1037658649.db2.gz AHGDACLMMWRWJE-CYBMUJFWSA-N 1 2 332.271 3.663 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000463028402 1037658655 /nfs/dbraw/zinc/65/86/55/1037658655.db2.gz AHGDACLMMWRWJE-CYBMUJFWSA-N 1 2 332.271 3.663 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@](C)(Cc3ccccc3)C3CC3)[nH+]c12 ZINC000573682084 1037661634 /nfs/dbraw/zinc/66/16/34/1037661634.db2.gz AHBOEFQQBOMIDD-JOCHJYFZSA-N 1 2 347.462 3.713 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000573661639 1037675116 /nfs/dbraw/zinc/67/51/16/1037675116.db2.gz MHSMIDVYSMCNOZ-SYNHAJSKSA-N 1 2 344.503 3.543 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646131720 1037678093 /nfs/dbraw/zinc/67/80/93/1037678093.db2.gz HBJFQKRTUHIBOJ-GJZGRUSLSA-N 1 2 327.428 3.831 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646131720 1037678103 /nfs/dbraw/zinc/67/81/03/1037678103.db2.gz HBJFQKRTUHIBOJ-GJZGRUSLSA-N 1 2 327.428 3.831 20 0 EHADLO CCc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1C ZINC000181981148 1037714965 /nfs/dbraw/zinc/71/49/65/1037714965.db2.gz KDLQFADNVMHSHZ-UHFFFAOYSA-N 1 2 338.455 3.874 20 0 EHADLO Cc1cccc(C2(C(=O)N(C)CCCn3cc[nH+]c3)CCCC2)c1 ZINC000493953812 1037743254 /nfs/dbraw/zinc/74/32/54/1037743254.db2.gz XBTBONKXUJAVEB-UHFFFAOYSA-N 1 2 325.456 3.552 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)n1 ZINC000494096562 1037816087 /nfs/dbraw/zinc/81/60/87/1037816087.db2.gz BXUYCBZWEGMJPY-UHFFFAOYSA-N 1 2 326.469 3.630 20 0 EHADLO O=C(C[C@@H]1OCCc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000115032294 1037816274 /nfs/dbraw/zinc/81/62/74/1037816274.db2.gz SIAZLFBCZQHPKZ-IBGZPJMESA-N 1 2 333.391 3.515 20 0 EHADLO c1ccc(C[C@@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000592109310 1037822179 /nfs/dbraw/zinc/82/21/79/1037822179.db2.gz YOMLPBOIFZUYPX-IBGZPJMESA-N 1 2 336.483 3.926 20 0 EHADLO c1ccc(C[C@@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000592109310 1037822210 /nfs/dbraw/zinc/82/22/10/1037822210.db2.gz YOMLPBOIFZUYPX-IBGZPJMESA-N 1 2 336.483 3.926 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000651260847 1037822863 /nfs/dbraw/zinc/82/28/63/1037822863.db2.gz GIMJKWMKRMCAQZ-FQEVSTJZSA-N 1 2 341.430 3.559 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000187900104 1037829500 /nfs/dbraw/zinc/82/95/00/1037829500.db2.gz AGMYCOBCPORBFS-BCFOUKGLSA-N 1 2 347.422 3.692 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117662774 1037858272 /nfs/dbraw/zinc/85/82/72/1037858272.db2.gz WJVHTAYAGQNZIM-KRWDZBQOSA-N 1 2 329.469 3.620 20 0 EHADLO Cc1cc(NNC(=O)Nc2cc(Cl)cc(Cl)c2)nc(C)[nH+]1 ZINC000152940777 1037894603 /nfs/dbraw/zinc/89/46/03/1037894603.db2.gz HKJXGBINCSWXIA-UHFFFAOYSA-N 1 2 326.187 3.549 20 0 EHADLO CC(C)[N@H+](Cc1c(F)ccc(Br)c1F)[C@@H]1CCOC1 ZINC000463231113 1037908530 /nfs/dbraw/zinc/90/85/30/1037908530.db2.gz VOVPNZSMVPXIHU-SNVBAGLBSA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)[N@@H+](Cc1c(F)ccc(Br)c1F)[C@@H]1CCOC1 ZINC000463231113 1037908537 /nfs/dbraw/zinc/90/85/37/1037908537.db2.gz VOVPNZSMVPXIHU-SNVBAGLBSA-N 1 2 334.204 3.727 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1nnc2ccccn21 ZINC000183043754 1037927060 /nfs/dbraw/zinc/92/70/60/1037927060.db2.gz PEDPYKKJLDSVKA-UHFFFAOYSA-N 1 2 344.418 3.695 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)[C@@H]1SC ZINC000592394181 1037937241 /nfs/dbraw/zinc/93/72/41/1037937241.db2.gz GHDMLEGCULQRJX-JJXSEGSLSA-N 1 2 329.456 3.752 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000463266450 1037948256 /nfs/dbraw/zinc/94/82/56/1037948256.db2.gz NIDAAUFITKLXMS-YWZLYKJASA-N 1 2 348.450 3.847 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000463266447 1037948305 /nfs/dbraw/zinc/94/83/05/1037948305.db2.gz NIDAAUFITKLXMS-FOIQADDNSA-N 1 2 348.450 3.847 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574015130 1037975540 /nfs/dbraw/zinc/97/55/40/1037975540.db2.gz HZNUPFVJLLTMSO-BRWVUGGUSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NC1CCCCC1 ZINC000540475646 1037986146 /nfs/dbraw/zinc/98/61/46/1037986146.db2.gz SABDRXKDFKUBKK-RYUDHWBXSA-N 1 2 326.843 3.967 20 0 EHADLO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCc2sccc2C1 ZINC000124278966 1038162549 /nfs/dbraw/zinc/16/25/49/1038162549.db2.gz YKQROYDFUQWYIK-UHFFFAOYSA-N 1 2 331.391 3.975 20 0 EHADLO Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCc2sccc2C1 ZINC000124278966 1038162557 /nfs/dbraw/zinc/16/25/57/1038162557.db2.gz YKQROYDFUQWYIK-UHFFFAOYSA-N 1 2 331.391 3.975 20 0 EHADLO CCSc1cccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000124308526 1038168758 /nfs/dbraw/zinc/16/87/58/1038168758.db2.gz XYGHTNOBAPJXFM-OAHLLOKOSA-N 1 2 343.496 3.627 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(F)cc2F)s1 ZINC000106875187 1038239657 /nfs/dbraw/zinc/23/96/57/1038239657.db2.gz RXVLKLHHEADBNE-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)s1 ZINC000106875187 1038239663 /nfs/dbraw/zinc/23/96/63/1038239663.db2.gz RXVLKLHHEADBNE-SNVBAGLBSA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3ccc(F)cc3Cl)cc12 ZINC000107063025 1038274077 /nfs/dbraw/zinc/27/40/77/1038274077.db2.gz ISVQSLIPQYZRSA-UHFFFAOYSA-N 1 2 332.810 3.701 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3ccc(F)cc3Cl)cc12 ZINC000107063025 1038274082 /nfs/dbraw/zinc/27/40/82/1038274082.db2.gz ISVQSLIPQYZRSA-UHFFFAOYSA-N 1 2 332.810 3.701 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1CC(C)C ZINC000125520743 1038338965 /nfs/dbraw/zinc/33/89/65/1038338965.db2.gz OZOQFLJTDROMDC-UHFFFAOYSA-N 1 2 337.427 3.744 20 0 EHADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)COc1cc(Cl)ccc1Cl ZINC000398099693 1038420080 /nfs/dbraw/zinc/42/00/80/1038420080.db2.gz YQJINXLQCJTRMH-ZWNOBZJWSA-N 1 2 340.197 3.511 20 0 EHADLO COCc1noc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000538615632 1038426072 /nfs/dbraw/zinc/42/60/72/1038426072.db2.gz UPVYYMKLBGAYBD-UHFFFAOYSA-N 1 2 335.407 3.659 20 0 EHADLO COCc1noc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000538615632 1038426078 /nfs/dbraw/zinc/42/60/78/1038426078.db2.gz UPVYYMKLBGAYBD-UHFFFAOYSA-N 1 2 335.407 3.659 20 0 EHADLO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000538739971 1038504557 /nfs/dbraw/zinc/50/45/57/1038504557.db2.gz YEYHSBNATFXZLC-FQEVSTJZSA-N 1 2 348.450 3.824 20 0 EHADLO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000538739971 1038504566 /nfs/dbraw/zinc/50/45/66/1038504566.db2.gz YEYHSBNATFXZLC-FQEVSTJZSA-N 1 2 348.450 3.824 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)o2)cc1 ZINC000538740402 1038504786 /nfs/dbraw/zinc/50/47/86/1038504786.db2.gz LSPRVHCXYXUUIS-HNNXBMFYSA-N 1 2 349.496 3.764 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)o2)cc1 ZINC000538740402 1038504789 /nfs/dbraw/zinc/50/47/89/1038504789.db2.gz LSPRVHCXYXUUIS-HNNXBMFYSA-N 1 2 349.496 3.764 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nsc3ccccc32)[C@H](CC)CN1C(C)=O ZINC000659977253 1038591188 /nfs/dbraw/zinc/59/11/88/1038591188.db2.gz LTZQLRANEWUTLR-HUUCEWRRSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nsc3ccccc32)[C@H](CC)CN1C(C)=O ZINC000659977253 1038591193 /nfs/dbraw/zinc/59/11/93/1038591193.db2.gz LTZQLRANEWUTLR-HUUCEWRRSA-N 1 2 331.485 3.518 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000416424575 1038656926 /nfs/dbraw/zinc/65/69/26/1038656926.db2.gz DXQDBPUETSMHJI-UHFFFAOYSA-N 1 2 326.469 3.601 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)[C@]12CCCO2 ZINC000545458354 1038665343 /nfs/dbraw/zinc/66/53/43/1038665343.db2.gz UKPROPFGBONOCY-SFNKJDCFSA-N 1 2 339.426 3.569 20 0 EHADLO Cc1nc(N2CCC3(CC2)C(F)(F)C3(F)F)c2c([nH+]1)CCCC2 ZINC000651388606 1038709472 /nfs/dbraw/zinc/70/94/72/1038709472.db2.gz JGXJNXFAPXZMBL-UHFFFAOYSA-N 1 2 329.341 3.535 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC000660020749 1038718274 /nfs/dbraw/zinc/71/82/74/1038718274.db2.gz YFBOMOKYXSGAFQ-UHFFFAOYSA-N 1 2 347.484 3.561 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H](c2ccsc2)O1 ZINC000378568488 1038730472 /nfs/dbraw/zinc/73/04/72/1038730472.db2.gz XKSKHKZUVANDPR-SJKOYZFVSA-N 1 2 329.425 3.693 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H](c2ccsc2)O1 ZINC000378568488 1038730478 /nfs/dbraw/zinc/73/04/78/1038730478.db2.gz XKSKHKZUVANDPR-SJKOYZFVSA-N 1 2 329.425 3.693 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000539225210 1038738322 /nfs/dbraw/zinc/73/83/22/1038738322.db2.gz GQIDKDHGDLZRJA-QWHCGFSZSA-N 1 2 348.393 3.960 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000485248475 1038803972 /nfs/dbraw/zinc/80/39/72/1038803972.db2.gz VOTNDZKBSIQFLX-UHFFFAOYSA-N 1 2 343.423 3.755 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000485248475 1038803997 /nfs/dbraw/zinc/80/39/97/1038803997.db2.gz VOTNDZKBSIQFLX-UHFFFAOYSA-N 1 2 343.423 3.755 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)cc1 ZINC000378650751 1038826407 /nfs/dbraw/zinc/82/64/07/1038826407.db2.gz XJAUBGZALSFDBR-OAQYLSRUSA-N 1 2 345.446 3.870 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000539378010 1038868479 /nfs/dbraw/zinc/86/84/79/1038868479.db2.gz YWYUMQXRFWOZST-LBPRGKRZSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@@](C)(C(F)F)O1 ZINC000668821850 1038876603 /nfs/dbraw/zinc/87/66/03/1038876603.db2.gz MMENHIUGESDYTO-SGTLLEGYSA-N 1 2 341.398 3.576 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@@](C)(C(F)F)O1 ZINC000668821850 1038876626 /nfs/dbraw/zinc/87/66/26/1038876626.db2.gz MMENHIUGESDYTO-SGTLLEGYSA-N 1 2 341.398 3.576 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000432715948 1038896557 /nfs/dbraw/zinc/89/65/57/1038896557.db2.gz HANYJDSWLJJYLR-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000432715948 1038896577 /nfs/dbraw/zinc/89/65/77/1038896577.db2.gz HANYJDSWLJJYLR-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO CCCCOc1ccc(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001211716747 1038902632 /nfs/dbraw/zinc/90/26/32/1038902632.db2.gz KYORTPNULYMCQQ-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cc1cc(Br)oc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162825331 1038905134 /nfs/dbraw/zinc/90/51/34/1038905134.db2.gz OPSUYJIGYQFDEU-UHFFFAOYSA-N 1 2 346.184 3.993 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363928064 1038968929 /nfs/dbraw/zinc/96/89/29/1038968929.db2.gz YFYXWBQQKQIZJG-IBGZPJMESA-N 1 2 341.455 3.667 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363928064 1038968945 /nfs/dbraw/zinc/96/89/45/1038968945.db2.gz YFYXWBQQKQIZJG-IBGZPJMESA-N 1 2 341.455 3.667 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2)c1 ZINC000488235896 1038993983 /nfs/dbraw/zinc/99/39/83/1038993983.db2.gz UNZQPYBERWGUIA-HOTGVXAUSA-N 1 2 347.459 3.660 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2)c1 ZINC000488235896 1038993997 /nfs/dbraw/zinc/99/39/97/1038993997.db2.gz UNZQPYBERWGUIA-HOTGVXAUSA-N 1 2 347.459 3.660 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753495 1039035398 /nfs/dbraw/zinc/03/53/98/1039035398.db2.gz CZHIZFCFNDBEFK-RISCZKNCSA-N 1 2 348.365 3.713 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753495 1039035416 /nfs/dbraw/zinc/03/54/16/1039035416.db2.gz CZHIZFCFNDBEFK-RISCZKNCSA-N 1 2 348.365 3.713 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)NCCCn1cc[nH+]c1 ZINC000108446706 1039060983 /nfs/dbraw/zinc/06/09/83/1039060983.db2.gz PQVRIFYFOKJKHC-UHFFFAOYSA-N 1 2 325.456 3.754 20 0 EHADLO CCCn1ncnc1C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000363955729 1039093169 /nfs/dbraw/zinc/09/31/69/1039093169.db2.gz XKGXPOIYUABGQL-UHFFFAOYSA-N 1 2 339.443 3.517 20 0 EHADLO COCCOc1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438329227 1039105580 /nfs/dbraw/zinc/10/55/80/1039105580.db2.gz PUCQREYFTSEVIT-UHFFFAOYSA-N 1 2 337.423 3.569 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2)ccc1F ZINC000554241251 1039116405 /nfs/dbraw/zinc/11/64/05/1039116405.db2.gz GNOUOIANZCBNGS-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3cccnc3)n2)ccc1F ZINC000554241251 1039116409 /nfs/dbraw/zinc/11/64/09/1039116409.db2.gz GNOUOIANZCBNGS-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000552269867 1039128712 /nfs/dbraw/zinc/12/87/12/1039128712.db2.gz VKURBJOMLGFSDZ-XOYOTBSWSA-N 1 2 333.472 3.658 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000512438618 1039160341 /nfs/dbraw/zinc/16/03/41/1039160341.db2.gz HWGKFIGGVYETAM-OAHLLOKOSA-N 1 2 329.271 3.730 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000512438618 1039160355 /nfs/dbraw/zinc/16/03/55/1039160355.db2.gz HWGKFIGGVYETAM-OAHLLOKOSA-N 1 2 329.271 3.730 20 0 EHADLO Cc1cc(F)ccc1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000488440222 1039183513 /nfs/dbraw/zinc/18/35/13/1039183513.db2.gz PWJFHIMVBWSTKR-UHFFFAOYSA-N 1 2 340.446 3.908 20 0 EHADLO Cc1cc(F)ccc1C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000488440222 1039183529 /nfs/dbraw/zinc/18/35/29/1039183529.db2.gz PWJFHIMVBWSTKR-UHFFFAOYSA-N 1 2 340.446 3.908 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C)(OCC)CC1 ZINC000488466679 1039207857 /nfs/dbraw/zinc/20/78/57/1039207857.db2.gz PSKNDHCAHURPNU-UHFFFAOYSA-N 1 2 342.439 3.807 20 0 EHADLO Cc1cc2cc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)ccc2[nH]1 ZINC000431908102 1039216120 /nfs/dbraw/zinc/21/61/20/1039216120.db2.gz XRNSAYHRIAQNEN-UHFFFAOYSA-N 1 2 344.418 3.902 20 0 EHADLO Fc1cccc([C@H]2CC[N@H+](Cc3ncc(Cl)nc3Cl)C2)c1 ZINC001141137708 1039239098 /nfs/dbraw/zinc/23/90/98/1039239098.db2.gz CVMYYDJWVDKSFG-NSHDSACASA-N 1 2 326.202 3.912 20 0 EHADLO Fc1cccc([C@H]2CC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)c1 ZINC001141137708 1039239107 /nfs/dbraw/zinc/23/91/07/1039239107.db2.gz CVMYYDJWVDKSFG-NSHDSACASA-N 1 2 326.202 3.912 20 0 EHADLO Cc1ccccc1-c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000051437618 1039256494 /nfs/dbraw/zinc/25/64/94/1039256494.db2.gz DIWPHPNDEPAZAB-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccccc2)O1 ZINC000512461910 1039258472 /nfs/dbraw/zinc/25/84/72/1039258472.db2.gz GNIRDAMLMGKRHT-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H](c2ccccc2)O1 ZINC000512461910 1039258485 /nfs/dbraw/zinc/25/84/85/1039258485.db2.gz GNIRDAMLMGKRHT-MGPUTAFESA-N 1 2 327.399 3.861 20 0 EHADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cc3ccccc3o2)c2cc(F)ccc21 ZINC000363982754 1039276082 /nfs/dbraw/zinc/27/60/82/1039276082.db2.gz IQUCHFUDGJLQFB-MRXNPFEDSA-N 1 2 345.395 3.580 20 0 EHADLO O=C(/C=C/c1cccnc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000363983108 1039278897 /nfs/dbraw/zinc/27/88/97/1039278897.db2.gz KWQOJCMURCOPLN-MDZDMXLPSA-N 1 2 342.402 3.649 20 0 EHADLO CCC1(CC)CC[NH+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000186110217 1039292562 /nfs/dbraw/zinc/29/25/62/1039292562.db2.gz OZWGOUAOQQFDIJ-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO COc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000151144534 1039293496 /nfs/dbraw/zinc/29/34/96/1039293496.db2.gz REGRDOYQHOYFFI-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000318848993 1039294669 /nfs/dbraw/zinc/29/46/69/1039294669.db2.gz HWFWJLWCYQQEPN-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000318848993 1039294694 /nfs/dbraw/zinc/29/46/94/1039294694.db2.gz HWFWJLWCYQQEPN-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000439484385 1039346808 /nfs/dbraw/zinc/34/68/08/1039346808.db2.gz OKJRDBPJJCUAHE-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000439484385 1039346815 /nfs/dbraw/zinc/34/68/15/1039346815.db2.gz OKJRDBPJJCUAHE-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2ncc(C3CC3)o2)c1C(=O)OC ZINC000419043716 1039352562 /nfs/dbraw/zinc/35/25/62/1039352562.db2.gz KGPXRXUEOFWQNF-UHFFFAOYSA-N 1 2 330.384 3.574 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554463365 1039360279 /nfs/dbraw/zinc/36/02/79/1039360279.db2.gz OCUAMPVUZRXQBR-MRXNPFEDSA-N 1 2 327.432 3.513 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000488753519 1039373866 /nfs/dbraw/zinc/37/38/66/1039373866.db2.gz ZGKZQVDLPGPGSQ-HXUWFJFHSA-N 1 2 348.450 3.785 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000488753519 1039373882 /nfs/dbraw/zinc/37/38/82/1039373882.db2.gz ZGKZQVDLPGPGSQ-HXUWFJFHSA-N 1 2 348.450 3.785 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1F ZINC000641725209 1039398872 /nfs/dbraw/zinc/39/88/72/1039398872.db2.gz JFFLJVHMEONZEH-GFCCVEGCSA-N 1 2 343.402 3.580 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1)c1ccccc1 ZINC000554497534 1039406329 /nfs/dbraw/zinc/40/63/29/1039406329.db2.gz RHOULJAPYKVDMH-SFHVURJKSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1)c1ccccc1 ZINC000554497534 1039406339 /nfs/dbraw/zinc/40/63/39/1039406339.db2.gz RHOULJAPYKVDMH-SFHVURJKSA-N 1 2 343.858 3.520 20 0 EHADLO CCc1noc([C@@H](C)[N@H+](CC)Cc2cccc(Br)c2)n1 ZINC000488797114 1039412055 /nfs/dbraw/zinc/41/20/55/1039412055.db2.gz QWVBTFWQZAMTQG-LLVKDONJSA-N 1 2 338.249 3.978 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+](CC)Cc2cccc(Br)c2)n1 ZINC000488797114 1039412061 /nfs/dbraw/zinc/41/20/61/1039412061.db2.gz QWVBTFWQZAMTQG-LLVKDONJSA-N 1 2 338.249 3.978 20 0 EHADLO C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000554513096 1039421177 /nfs/dbraw/zinc/42/11/77/1039421177.db2.gz CNYNYUGWWDLYTJ-MJGOQNOKSA-N 1 2 340.471 3.846 20 0 EHADLO c1cc(-c2ccccc2)oc1C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000485705912 1039432202 /nfs/dbraw/zinc/43/22/02/1039432202.db2.gz RAMUKRDMEZZWFD-LJQANCHMSA-N 1 2 327.424 3.574 20 0 EHADLO c1cc(-c2ccccc2)oc1C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000485705912 1039432207 /nfs/dbraw/zinc/43/22/07/1039432207.db2.gz RAMUKRDMEZZWFD-LJQANCHMSA-N 1 2 327.424 3.574 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(C2CC2)nn1 ZINC000906282116 1039437195 /nfs/dbraw/zinc/43/71/95/1039437195.db2.gz DXJZQOXTEWPTAQ-SFHVURJKSA-N 1 2 328.460 3.889 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(C2CC2)nn1 ZINC000906282115 1039437544 /nfs/dbraw/zinc/43/75/44/1039437544.db2.gz DXJZQOXTEWPTAQ-GOSISDBHSA-N 1 2 328.460 3.889 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccccc2F)nn1)c1ccccc1OC ZINC000906286970 1039450558 /nfs/dbraw/zinc/45/05/58/1039450558.db2.gz GZVVGIRCYDELBG-KRWDZBQOSA-N 1 2 340.402 3.656 20 0 EHADLO CCOC(=O)c1csc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000432832215 1039479077 /nfs/dbraw/zinc/47/90/77/1039479077.db2.gz XQAUDIHGHMCELK-QGZVFWFLSA-N 1 2 342.464 3.972 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000432832215 1039479085 /nfs/dbraw/zinc/47/90/85/1039479085.db2.gz XQAUDIHGHMCELK-QGZVFWFLSA-N 1 2 342.464 3.972 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC1(C)C ZINC000500776648 1039481219 /nfs/dbraw/zinc/48/12/19/1039481219.db2.gz VHWGUKRLEWRNMR-GOSISDBHSA-N 1 2 343.515 3.973 20 0 EHADLO Brc1cccc2c(N3CCO[C@@H]4CCC[C@@H]43)cc[nH+]c12 ZINC000552805834 1039527343 /nfs/dbraw/zinc/52/73/43/1039527343.db2.gz FLKUTTHIJMPVKI-LSDHHAIUSA-N 1 2 333.229 3.755 20 0 EHADLO c1cc(CN2CCSC3(CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667673637 1039541069 /nfs/dbraw/zinc/54/10/69/1039541069.db2.gz HZJBGGCKOCKNRC-UHFFFAOYSA-N 1 2 328.485 3.519 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000485782093 1039552981 /nfs/dbraw/zinc/55/29/81/1039552981.db2.gz FPPUUXQKPSUIHF-WBAXXEDZSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000485782093 1039552989 /nfs/dbraw/zinc/55/29/89/1039552989.db2.gz FPPUUXQKPSUIHF-WBAXXEDZSA-N 1 2 348.437 3.797 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000419192600 1039576017 /nfs/dbraw/zinc/57/60/17/1039576017.db2.gz PLBGBGTTWGZVQG-FUHWJXTLSA-N 1 2 341.476 3.640 20 0 EHADLO CC(C)CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000364063112 1039602527 /nfs/dbraw/zinc/60/25/27/1039602527.db2.gz RJUCMFNYKFPZAI-UHFFFAOYSA-N 1 2 346.519 3.762 20 0 EHADLO C[C@@H](CC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2)n1cc[nH+]c1 ZINC000584724130 1039633374 /nfs/dbraw/zinc/63/33/74/1039633374.db2.gz VAQRXFGAMMOSOW-NSHDSACASA-N 1 2 333.819 3.840 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c(C)[nH+]1 ZINC000906567494 1039650752 /nfs/dbraw/zinc/65/07/52/1039650752.db2.gz VSGKZPUNHYHXIS-QGZVFWFLSA-N 1 2 344.842 3.874 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc(C)c3)no2)cc1C ZINC000489158640 1039667636 /nfs/dbraw/zinc/66/76/36/1039667636.db2.gz SSGMIHVSJQQIST-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)cc1C ZINC000489158640 1039667640 /nfs/dbraw/zinc/66/76/40/1039667640.db2.gz SSGMIHVSJQQIST-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO CC(C)(CNC(=O)c1sc2ccccc2c1Cl)n1cc[nH+]c1 ZINC000898894276 1039683566 /nfs/dbraw/zinc/68/35/66/1039683566.db2.gz XDEMLJJGQVETOG-UHFFFAOYSA-N 1 2 333.844 3.916 20 0 EHADLO CC(C)(CNC(=O)c1ccc(C2SCCS2)cc1)n1cc[nH+]c1 ZINC000898893648 1039683721 /nfs/dbraw/zinc/68/37/21/1039683721.db2.gz OUPFFGWNZFGBHY-UHFFFAOYSA-N 1 2 347.509 3.527 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000367439263 1039694558 /nfs/dbraw/zinc/69/45/58/1039694558.db2.gz SPKOOWNTNRSOAO-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000367439263 1039694565 /nfs/dbraw/zinc/69/45/65/1039694565.db2.gz SPKOOWNTNRSOAO-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907186 1039695809 /nfs/dbraw/zinc/69/58/09/1039695809.db2.gz MVSZSZBTUHMWAY-HZPDHXFCSA-N 1 2 325.456 3.724 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000367439262 1039696252 /nfs/dbraw/zinc/69/62/52/1039696252.db2.gz SPKOOWNTNRSOAO-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000367439262 1039696266 /nfs/dbraw/zinc/69/62/66/1039696266.db2.gz SPKOOWNTNRSOAO-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3cc(C4CC4)no3)CCOCC2)c(F)c1 ZINC000660202009 1039735565 /nfs/dbraw/zinc/73/55/65/1039735565.db2.gz JYNQDHJCYJHZLD-UHFFFAOYSA-N 1 2 334.366 3.626 20 0 EHADLO Cc1ccc(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000554792226 1039736895 /nfs/dbraw/zinc/73/68/95/1039736895.db2.gz AERKVKGEPBRBFJ-UHFFFAOYSA-N 1 2 330.391 3.881 20 0 EHADLO C[N@H+](CCc1c(F)cccc1F)Cc1nccn1Cc1ccccc1 ZINC000645808715 1039752369 /nfs/dbraw/zinc/75/23/69/1039752369.db2.gz HBBJNDZQJZJRJP-UHFFFAOYSA-N 1 2 341.405 3.884 20 0 EHADLO C[N@@H+](CCc1c(F)cccc1F)Cc1nccn1Cc1ccccc1 ZINC000645808715 1039752383 /nfs/dbraw/zinc/75/23/83/1039752383.db2.gz HBBJNDZQJZJRJP-UHFFFAOYSA-N 1 2 341.405 3.884 20 0 EHADLO COc1ccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000554808706 1039763871 /nfs/dbraw/zinc/76/38/71/1039763871.db2.gz XHUPZUZCTFDHKT-SHTZXODSSA-N 1 2 340.427 3.635 20 0 EHADLO Clc1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000893863612 1039767807 /nfs/dbraw/zinc/76/78/07/1039767807.db2.gz JWQQNZSPENIZNK-CQSZACIVSA-N 1 2 349.887 3.580 20 0 EHADLO Clc1nc(N2CCOCC2)sc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000893863612 1039767820 /nfs/dbraw/zinc/76/78/20/1039767820.db2.gz JWQQNZSPENIZNK-CQSZACIVSA-N 1 2 349.887 3.580 20 0 EHADLO CSc1c(F)cccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000667408295 1039769146 /nfs/dbraw/zinc/76/91/46/1039769146.db2.gz PJMKMDOCZAPOPP-UHFFFAOYSA-N 1 2 334.420 3.566 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667412568 1039781874 /nfs/dbraw/zinc/78/18/74/1039781874.db2.gz MOEDZTILUNHZEA-IUODEOHRSA-N 1 2 348.447 3.859 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1O ZINC000486059837 1039840967 /nfs/dbraw/zinc/84/09/67/1039840967.db2.gz FNDMKNYJMIFAOO-UHFFFAOYSA-N 1 2 332.363 3.662 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc[nH+]1 ZINC000486106284 1039883969 /nfs/dbraw/zinc/88/39/69/1039883969.db2.gz ZRFNOLHKIRIICJ-INIZCTEOSA-N 1 2 332.403 3.885 20 0 EHADLO Cc1cc(N2CCC(CO)(c3ccccc3)CC2)nc(C2CCC2)[nH+]1 ZINC000893971564 1039902779 /nfs/dbraw/zinc/90/27/79/1039902779.db2.gz UBOAIZSDXUODGF-UHFFFAOYSA-N 1 2 337.467 3.583 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000912496575 1039922109 /nfs/dbraw/zinc/92/21/09/1039922109.db2.gz ZQYQKZWXBMXYQT-QGZVFWFLSA-N 1 2 332.394 3.506 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)[NH+]1CCSCC1 ZINC000479076703 1039948875 /nfs/dbraw/zinc/94/88/75/1039948875.db2.gz GVKKURURGARTRR-HNNXBMFYSA-N 1 2 342.464 3.855 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)CSCC2 ZINC000894025339 1039992326 /nfs/dbraw/zinc/99/23/26/1039992326.db2.gz CXKSGMAABMFHDO-KRWDZBQOSA-N 1 2 349.450 3.825 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)CSCC2 ZINC000894025339 1039992332 /nfs/dbraw/zinc/99/23/32/1039992332.db2.gz CXKSGMAABMFHDO-KRWDZBQOSA-N 1 2 349.450 3.825 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000668977340 1039999628 /nfs/dbraw/zinc/99/96/28/1039999628.db2.gz FRBFEMWHICPUME-SFHVURJKSA-N 1 2 342.483 3.736 20 0 EHADLO C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000907322636 1040013411 /nfs/dbraw/zinc/01/34/11/1040013411.db2.gz ATNWACHJDDGCHM-INIZCTEOSA-N 1 2 340.471 3.503 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907358372 1040023865 /nfs/dbraw/zinc/02/38/65/1040023865.db2.gz NJJIVVOXUUAIHW-IBGZPJMESA-N 1 2 340.471 3.790 20 0 EHADLO CCc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000549844503 1040027198 /nfs/dbraw/zinc/02/71/98/1040027198.db2.gz WXCFIELJNJBTKA-UHFFFAOYSA-N 1 2 326.284 3.961 20 0 EHADLO CCc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000549844503 1040027204 /nfs/dbraw/zinc/02/72/04/1040027204.db2.gz WXCFIELJNJBTKA-UHFFFAOYSA-N 1 2 326.284 3.961 20 0 EHADLO COCC[N@H+](Cc1nc(C2CCCCC2)cs1)[C@@H]1CCO[C@H]1C ZINC000489503694 1040028438 /nfs/dbraw/zinc/02/84/38/1040028438.db2.gz VJOUPRIIIRLKFA-WMLDXEAASA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1nc(C2CCCCC2)cs1)[C@@H]1CCO[C@H]1C ZINC000489503694 1040028457 /nfs/dbraw/zinc/02/84/57/1040028457.db2.gz VJOUPRIIIRLKFA-WMLDXEAASA-N 1 2 338.517 3.817 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cn(C(F)F)c3ccccc23)c[nH+]1 ZINC000899142634 1040073458 /nfs/dbraw/zinc/07/34/58/1040073458.db2.gz ADSRFTVRDRHSJF-UHFFFAOYSA-N 1 2 346.381 3.593 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)Nc2ccnc3c2cnn3C)c(C)c1 ZINC000553509759 1040139091 /nfs/dbraw/zinc/13/90/91/1040139091.db2.gz GWPSCFNSDGZWIU-LJQANCHMSA-N 1 2 346.438 3.635 20 0 EHADLO Fc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(Cl)c1Cl ZINC000432914225 1040143453 /nfs/dbraw/zinc/14/34/53/1040143453.db2.gz CVHBTJKYNHQBIB-UHFFFAOYSA-N 1 2 348.245 3.762 20 0 EHADLO Fc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c(Cl)c1Cl ZINC000432914225 1040143463 /nfs/dbraw/zinc/14/34/63/1040143463.db2.gz CVHBTJKYNHQBIB-UHFFFAOYSA-N 1 2 348.245 3.762 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245598974 1040171520 /nfs/dbraw/zinc/17/15/20/1040171520.db2.gz IHDOKHAMEFLBIB-OAGGEKHMSA-N 1 2 330.255 3.670 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245598974 1040171534 /nfs/dbraw/zinc/17/15/34/1040171534.db2.gz IHDOKHAMEFLBIB-OAGGEKHMSA-N 1 2 330.255 3.670 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@@H](NC(=O)CC)C3)cc[nH+]c12 ZINC000486484100 1040174334 /nfs/dbraw/zinc/17/43/34/1040174334.db2.gz BZSUNEFTAGAOTO-OAHLLOKOSA-N 1 2 341.455 3.519 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811000 1040177536 /nfs/dbraw/zinc/17/75/36/1040177536.db2.gz RCRISWBZWXBGQS-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811000 1040177541 /nfs/dbraw/zinc/17/75/41/1040177541.db2.gz RCRISWBZWXBGQS-AWEZNQCLSA-N 1 2 327.428 3.646 20 0 EHADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810146 1040178660 /nfs/dbraw/zinc/17/86/60/1040178660.db2.gz NZUAJSBOYHSSSS-LSDHHAIUSA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810146 1040178668 /nfs/dbraw/zinc/17/86/68/1040178668.db2.gz NZUAJSBOYHSSSS-LSDHHAIUSA-N 1 2 329.488 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC12CCC2 ZINC000907813849 1040181261 /nfs/dbraw/zinc/18/12/61/1040181261.db2.gz AQFURSTYCZFXIV-CABCVRRESA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC12CCC2 ZINC000907813849 1040181268 /nfs/dbraw/zinc/18/12/68/1040181268.db2.gz AQFURSTYCZFXIV-CABCVRRESA-N 1 2 327.472 3.621 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)F ZINC000907814871 1040181343 /nfs/dbraw/zinc/18/13/43/1040181343.db2.gz IAJXPYSQIUDKFQ-ZYHUDNBSSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)F ZINC000907814871 1040181351 /nfs/dbraw/zinc/18/13/51/1040181351.db2.gz IAJXPYSQIUDKFQ-ZYHUDNBSSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907815226 1040182335 /nfs/dbraw/zinc/18/23/35/1040182335.db2.gz JQMDUXOKJQVYAU-FVQBIDKESA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907815226 1040182344 /nfs/dbraw/zinc/18/23/44/1040182344.db2.gz JQMDUXOKJQVYAU-FVQBIDKESA-N 1 2 329.488 3.867 20 0 EHADLO O=C(C=C1CCCC1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816504 1040183601 /nfs/dbraw/zinc/18/36/01/1040183601.db2.gz VDPZWYMIVPKAIX-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO O=C(C=C1CCCC1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816504 1040183606 /nfs/dbraw/zinc/18/36/06/1040183606.db2.gz VDPZWYMIVPKAIX-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000584878228 1040186731 /nfs/dbraw/zinc/18/67/31/1040186731.db2.gz MGZXEUCPDLGUEL-IKGGRYGDSA-N 1 2 346.519 3.772 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000667483844 1040212591 /nfs/dbraw/zinc/21/25/91/1040212591.db2.gz TYFPWGGDXZRSCF-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000667483844 1040212607 /nfs/dbraw/zinc/21/26/07/1040212607.db2.gz TYFPWGGDXZRSCF-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO CCOc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1Br ZINC000489941835 1040247290 /nfs/dbraw/zinc/24/72/90/1040247290.db2.gz CSRXAZJBNKJTPV-UHFFFAOYSA-N 1 2 333.189 3.863 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000162503241 1040284705 /nfs/dbraw/zinc/28/47/05/1040284705.db2.gz HPBNKMSKXPLCLE-GFCCVEGCSA-N 1 2 348.397 3.959 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000908130291 1040306105 /nfs/dbraw/zinc/30/61/05/1040306105.db2.gz BKNIUZSSEPBCBZ-RDJZCZTQSA-N 1 2 339.439 3.502 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1ccsc1 ZINC000152909018 1040320562 /nfs/dbraw/zinc/32/05/62/1040320562.db2.gz QNCRZEXOJPFACX-NSHDSACASA-N 1 2 331.466 3.817 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1ccsc1 ZINC000152909018 1040320578 /nfs/dbraw/zinc/32/05/78/1040320578.db2.gz QNCRZEXOJPFACX-NSHDSACASA-N 1 2 331.466 3.817 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2ccsc2n1 ZINC000490049025 1040321661 /nfs/dbraw/zinc/32/16/61/1040321661.db2.gz VEXYKWXUXWFYIH-HNNXBMFYSA-N 1 2 335.860 3.869 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000490049025 1040321676 /nfs/dbraw/zinc/32/16/76/1040321676.db2.gz VEXYKWXUXWFYIH-HNNXBMFYSA-N 1 2 335.860 3.869 20 0 EHADLO CCCN(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000481083776 1040338352 /nfs/dbraw/zinc/33/83/52/1040338352.db2.gz YKCMRQCSCNULMT-UHFFFAOYSA-N 1 2 332.423 3.589 20 0 EHADLO C[C@H]1C[C@H](CCNc2nc(C3CC3)ns2)C[N@@H+]1Cc1ccccc1 ZINC000511645359 1040355287 /nfs/dbraw/zinc/35/52/87/1040355287.db2.gz JUBARYGDXHYZHD-HOCLYGCPSA-N 1 2 342.512 3.550 20 0 EHADLO C[C@H]1C[C@H](CCNc2nc(C3CC3)ns2)C[N@H+]1Cc1ccccc1 ZINC000511645359 1040355307 /nfs/dbraw/zinc/35/53/07/1040355307.db2.gz JUBARYGDXHYZHD-HOCLYGCPSA-N 1 2 342.512 3.550 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000667511805 1040365621 /nfs/dbraw/zinc/36/56/21/1040365621.db2.gz VAJXZFZLLVBZIA-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000667511805 1040365636 /nfs/dbraw/zinc/36/56/36/1040365636.db2.gz VAJXZFZLLVBZIA-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)c(N(C)C)[nH+]1 ZINC000759993640 1040423475 /nfs/dbraw/zinc/42/34/75/1040423475.db2.gz KKOACBSCVNJNRO-CYBMUJFWSA-N 1 2 344.381 3.699 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000553801007 1040445850 /nfs/dbraw/zinc/44/58/50/1040445850.db2.gz DQWAIXFXGDCPRZ-HNNXBMFYSA-N 1 2 326.223 3.825 20 0 EHADLO CCn1c[nH+]cc1CN(C)Cc1cc(Br)ccc1Cl ZINC000418022404 1040458578 /nfs/dbraw/zinc/45/85/78/1040458578.db2.gz AUDDGUXNBKIFLK-UHFFFAOYSA-N 1 2 342.668 3.951 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)cc1 ZINC000490397787 1040529355 /nfs/dbraw/zinc/52/93/55/1040529355.db2.gz KQQNBDWGXOAIOO-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO COc1ccc2cc(C[N@@H+]3CCNC(=O)[C@H]3c3ccccc3)ccc2c1 ZINC000512697139 1040545772 /nfs/dbraw/zinc/54/57/72/1040545772.db2.gz NDUAGHYPLQPJGX-OAQYLSRUSA-N 1 2 346.430 3.522 20 0 EHADLO COc1ccc2cc(C[N@H+]3CCNC(=O)[C@H]3c3ccccc3)ccc2c1 ZINC000512697139 1040545790 /nfs/dbraw/zinc/54/57/90/1040545790.db2.gz NDUAGHYPLQPJGX-OAQYLSRUSA-N 1 2 346.430 3.522 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC000630031600 1040559038 /nfs/dbraw/zinc/55/90/38/1040559038.db2.gz GTRVOEQNZNMBQE-OAQYLSRUSA-N 1 2 348.421 3.960 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC000630031600 1040559053 /nfs/dbraw/zinc/55/90/53/1040559053.db2.gz GTRVOEQNZNMBQE-OAQYLSRUSA-N 1 2 348.421 3.960 20 0 EHADLO Cc1nc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC000425286472 1040561289 /nfs/dbraw/zinc/56/12/89/1040561289.db2.gz UISPOXRDNQGETN-QZTJIDSGSA-N 1 2 343.858 3.630 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433053050 1040570372 /nfs/dbraw/zinc/57/03/72/1040570372.db2.gz OUBUPGQIDIORHA-IBGZPJMESA-N 1 2 336.435 3.707 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433053050 1040570385 /nfs/dbraw/zinc/57/03/85/1040570385.db2.gz OUBUPGQIDIORHA-IBGZPJMESA-N 1 2 336.435 3.707 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000418101014 1040582551 /nfs/dbraw/zinc/58/25/51/1040582551.db2.gz QRQGIANLLKMWLH-UHFFFAOYSA-N 1 2 342.155 3.585 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000490567644 1040611882 /nfs/dbraw/zinc/61/18/82/1040611882.db2.gz MKGBWGIEDFYJBN-OXJNMPFZSA-N 1 2 341.451 3.980 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000490567644 1040611886 /nfs/dbraw/zinc/61/18/86/1040611886.db2.gz MKGBWGIEDFYJBN-OXJNMPFZSA-N 1 2 341.451 3.980 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc[nH+]c2N)n1)CCCCC3 ZINC000663963122 1040619524 /nfs/dbraw/zinc/61/95/24/1040619524.db2.gz SNJSJFXRUWUOAS-UHFFFAOYSA-N 1 2 339.468 3.858 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000600132390 1040700492 /nfs/dbraw/zinc/70/04/92/1040700492.db2.gz QRXZXJZUDNFKTL-NVXWUHKLSA-N 1 2 329.469 3.618 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2c(F)cccc2Cl)n1 ZINC000600137192 1040711089 /nfs/dbraw/zinc/71/10/89/1040711089.db2.gz JVZSZBIPPLGQJB-NSHDSACASA-N 1 2 336.794 3.902 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC000614270171 1040897404 /nfs/dbraw/zinc/89/74/04/1040897404.db2.gz JFTCKQHMEIILEH-CYBMUJFWSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)cc[nH+]1 ZINC000500317106 1041032530 /nfs/dbraw/zinc/03/25/30/1041032530.db2.gz OBTYVJRHZWQOJH-UHFFFAOYSA-N 1 2 336.366 3.782 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](COC(F)F)C2)c(Cl)c1 ZINC000512824448 1041039419 /nfs/dbraw/zinc/03/94/19/1041039419.db2.gz SHSLZOLACQITEV-NWDGAFQWSA-N 1 2 346.805 3.537 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](COC(F)F)C2)c(Cl)c1 ZINC000512824448 1041039422 /nfs/dbraw/zinc/03/94/22/1041039422.db2.gz SHSLZOLACQITEV-NWDGAFQWSA-N 1 2 346.805 3.537 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487696649 1041055328 /nfs/dbraw/zinc/05/53/28/1041055328.db2.gz YAJQIBANFDZYOP-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nnc1C1CCC1 ZINC000419280649 1041068723 /nfs/dbraw/zinc/06/87/23/1041068723.db2.gz AERLLAPBTVREFR-MRXNPFEDSA-N 1 2 346.425 3.568 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nnc1C1CCC1 ZINC000419280649 1041068742 /nfs/dbraw/zinc/06/87/42/1041068742.db2.gz AERLLAPBTVREFR-MRXNPFEDSA-N 1 2 346.425 3.568 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NC(C)(C)C)CC1 ZINC000054926402 1041074311 /nfs/dbraw/zinc/07/43/11/1041074311.db2.gz STHKQAYGXHGOBD-ZDUSSCGKSA-N 1 2 339.936 3.692 20 0 EHADLO Oc1cccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1Cl ZINC000390587119 1041075659 /nfs/dbraw/zinc/07/56/59/1041075659.db2.gz NAYLHISLSDAHSM-KRWDZBQOSA-N 1 2 330.859 3.800 20 0 EHADLO FC(F)(F)Cc1nnc([C@@H]2CCCC[N@@H+]2CCOCC2CCC2)o1 ZINC000419283443 1041078238 /nfs/dbraw/zinc/07/82/38/1041078238.db2.gz RTSYUBABCGWCBN-ZDUSSCGKSA-N 1 2 347.381 3.518 20 0 EHADLO FC(F)(F)Cc1nnc([C@@H]2CCCC[N@H+]2CCOCC2CCC2)o1 ZINC000419283443 1041078256 /nfs/dbraw/zinc/07/82/56/1041078256.db2.gz RTSYUBABCGWCBN-ZDUSSCGKSA-N 1 2 347.381 3.518 20 0 EHADLO CCc1ccccc1NC(=O)C[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068983 1041105529 /nfs/dbraw/zinc/10/55/29/1041105529.db2.gz WEDBLHNBMMRWAS-AWEZNQCLSA-N 1 2 327.428 3.620 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000667907859 1041120463 /nfs/dbraw/zinc/12/04/63/1041120463.db2.gz ACWXDGOJMABJQU-WOJBJXKFSA-N 1 2 343.430 3.733 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000433235411 1041123565 /nfs/dbraw/zinc/12/35/65/1041123565.db2.gz NLNKASSROUDEET-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000433235411 1041123572 /nfs/dbraw/zinc/12/35/72/1041123572.db2.gz NLNKASSROUDEET-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000509835590 1041150517 /nfs/dbraw/zinc/15/05/17/1041150517.db2.gz MQPPXJRCXISDFZ-UHFFFAOYSA-N 1 2 341.846 3.575 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(OC)cc1 ZINC000052038869 1041151918 /nfs/dbraw/zinc/15/19/18/1041151918.db2.gz BGCYENBFKFRWSH-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(OC)cc1 ZINC000052038869 1041151926 /nfs/dbraw/zinc/15/19/26/1041151926.db2.gz BGCYENBFKFRWSH-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000571102775 1041184465 /nfs/dbraw/zinc/18/44/65/1041184465.db2.gz UUOQOGGAXHWSIM-ZDUSSCGKSA-N 1 2 327.403 3.586 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000571102775 1041184472 /nfs/dbraw/zinc/18/44/72/1041184472.db2.gz UUOQOGGAXHWSIM-ZDUSSCGKSA-N 1 2 327.403 3.586 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000571176052 1041193599 /nfs/dbraw/zinc/19/35/99/1041193599.db2.gz OCXCYOWDPBSFPW-CQSZACIVSA-N 1 2 327.428 3.939 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000571176052 1041193604 /nfs/dbraw/zinc/19/36/04/1041193604.db2.gz OCXCYOWDPBSFPW-CQSZACIVSA-N 1 2 327.428 3.939 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000194052732 1041201525 /nfs/dbraw/zinc/20/15/25/1041201525.db2.gz LTCWLHOYEOIWOK-SJCJKPOMSA-N 1 2 327.340 3.696 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000194052732 1041201542 /nfs/dbraw/zinc/20/15/42/1041201542.db2.gz LTCWLHOYEOIWOK-SJCJKPOMSA-N 1 2 327.340 3.696 20 0 EHADLO CCN(CC)[C@@H](C[NH2+]Cc1ncc(C(F)(F)F)s1)c1ccco1 ZINC000433303699 1041245936 /nfs/dbraw/zinc/24/59/36/1041245936.db2.gz LRYGTTKIPLUFOH-NSHDSACASA-N 1 2 347.406 3.928 20 0 EHADLO COc1cccc2c1CCCN2Cc1c[nH+]cn1Cc1ccccc1 ZINC000433318732 1041270235 /nfs/dbraw/zinc/27/02/35/1041270235.db2.gz HFEMFZLONHPLAS-UHFFFAOYSA-N 1 2 333.435 3.893 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433318293 1041273020 /nfs/dbraw/zinc/27/30/20/1041273020.db2.gz LDNJNXZWZGNZNH-GXTWGEPZSA-N 1 2 335.835 3.810 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433318293 1041273033 /nfs/dbraw/zinc/27/30/33/1041273033.db2.gz LDNJNXZWZGNZNH-GXTWGEPZSA-N 1 2 335.835 3.810 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)NCc1cccs1 ZINC000052077447 1041282077 /nfs/dbraw/zinc/28/20/77/1041282077.db2.gz SOFZWDUZUZIGLL-INIZCTEOSA-N 1 2 334.872 3.855 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)NCc1cccs1 ZINC000052077447 1041282086 /nfs/dbraw/zinc/28/20/86/1041282086.db2.gz SOFZWDUZUZIGLL-INIZCTEOSA-N 1 2 334.872 3.855 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1C ZINC000428751495 1041352318 /nfs/dbraw/zinc/35/23/18/1041352318.db2.gz SCMOPMXDUZAUJG-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2csc(CC(=O)OC(C)C)n2)c1C ZINC000428751495 1041352331 /nfs/dbraw/zinc/35/23/31/1041352331.db2.gz SCMOPMXDUZAUJG-UHFFFAOYSA-N 1 2 346.496 3.886 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)CCc1c[nH+]cn1C ZINC000647690471 1041439887 /nfs/dbraw/zinc/43/98/87/1041439887.db2.gz HUEZUWAIFXIHOD-KRWDZBQOSA-N 1 2 327.472 3.907 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021194 1041478817 /nfs/dbraw/zinc/47/88/17/1041478817.db2.gz UPEPGSFEJINXSF-RDTXWAMCSA-N 1 2 336.426 3.893 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432021194 1041478822 /nfs/dbraw/zinc/47/88/22/1041478822.db2.gz UPEPGSFEJINXSF-RDTXWAMCSA-N 1 2 336.426 3.893 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000660478378 1041546661 /nfs/dbraw/zinc/54/66/61/1041546661.db2.gz BDYGRKUCXTVQFY-AWEZNQCLSA-N 1 2 349.228 3.928 20 0 EHADLO CCC1(CC)[C@H]([N@H+](C)Cc2sncc2Br)C[C@@H]1OC ZINC001167767717 1041622958 /nfs/dbraw/zinc/62/29/58/1041622958.db2.gz ZZSDEAJISAJCIU-OLZOCXBDSA-N 1 2 347.322 3.931 20 0 EHADLO CCC1(CC)[C@H]([N@@H+](C)Cc2sncc2Br)C[C@@H]1OC ZINC001167767717 1041622963 /nfs/dbraw/zinc/62/29/63/1041622963.db2.gz ZZSDEAJISAJCIU-OLZOCXBDSA-N 1 2 347.322 3.931 20 0 EHADLO CC(C)(C)c1nnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000432144416 1041647776 /nfs/dbraw/zinc/64/77/76/1041647776.db2.gz XTNBFGKUMVVJCP-YFHOEESVSA-N 1 2 342.512 3.671 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660548305 1041655352 /nfs/dbraw/zinc/65/53/52/1041655352.db2.gz KDUOJUCXMRMDOK-CYBMUJFWSA-N 1 2 325.384 3.585 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660548305 1041655355 /nfs/dbraw/zinc/65/53/55/1041655355.db2.gz KDUOJUCXMRMDOK-CYBMUJFWSA-N 1 2 325.384 3.585 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(c3noc4cc(F)ccc43)CC2)[nH]1 ZINC000660567887 1041684891 /nfs/dbraw/zinc/68/48/91/1041684891.db2.gz ZOOVOVRWLHBDQD-LLVKDONJSA-N 1 2 343.406 3.588 20 0 EHADLO Cc1scc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1C ZINC000647693263 1041692577 /nfs/dbraw/zinc/69/25/77/1041692577.db2.gz FDPSSFDMANHPFU-UHFFFAOYSA-N 1 2 349.525 3.599 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000660586903 1041706777 /nfs/dbraw/zinc/70/67/77/1041706777.db2.gz LYXANGQMYKMEHX-ZDUSSCGKSA-N 1 2 345.752 3.724 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000660586903 1041706784 /nfs/dbraw/zinc/70/67/84/1041706784.db2.gz LYXANGQMYKMEHX-ZDUSSCGKSA-N 1 2 345.752 3.724 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000026630504 1041721225 /nfs/dbraw/zinc/72/12/25/1041721225.db2.gz DBLREHOXGPPCQK-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000026630504 1041721226 /nfs/dbraw/zinc/72/12/26/1041721226.db2.gz DBLREHOXGPPCQK-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629582 1041739089 /nfs/dbraw/zinc/73/90/89/1041739089.db2.gz CNBSXKJVWBEGEG-UONOGXRCSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629582 1041739091 /nfs/dbraw/zinc/73/90/91/1041739091.db2.gz CNBSXKJVWBEGEG-UONOGXRCSA-N 1 2 345.393 3.566 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1nc2ccccc2s1 ZINC000278841369 1041830940 /nfs/dbraw/zinc/83/09/40/1041830940.db2.gz QVWVQZWYBAKGME-JTQLQIEISA-N 1 2 343.374 3.509 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1nc2ccccc2s1 ZINC000278841369 1041830941 /nfs/dbraw/zinc/83/09/41/1041830941.db2.gz QVWVQZWYBAKGME-JTQLQIEISA-N 1 2 343.374 3.509 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3cc4cnccc4o3)CCO2)ccc1F ZINC000651644510 1041835810 /nfs/dbraw/zinc/83/58/10/1041835810.db2.gz TZYVHUMYPZDBRP-IBGZPJMESA-N 1 2 326.371 3.849 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3cc4cnccc4o3)CCO2)ccc1F ZINC000651644510 1041835816 /nfs/dbraw/zinc/83/58/16/1041835816.db2.gz TZYVHUMYPZDBRP-IBGZPJMESA-N 1 2 326.371 3.849 20 0 EHADLO O=C(CCc1cccnc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568712 1041952333 /nfs/dbraw/zinc/95/23/33/1041952333.db2.gz LGDGQIFLDPVXOQ-UHFFFAOYSA-N 1 2 346.434 3.853 20 0 EHADLO COc1cc(OC)c(C[NH2+]C2(c3nccs3)CCCC2)cc1F ZINC000651714203 1041953122 /nfs/dbraw/zinc/95/31/22/1041953122.db2.gz TUWIUKQQTNJXJL-UHFFFAOYSA-N 1 2 336.432 3.859 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000661161989 1041976675 /nfs/dbraw/zinc/97/66/75/1041976675.db2.gz DXYCEJJKMRRPKH-CQSZACIVSA-N 1 2 340.423 3.689 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2c(F)cccc2F)CCc2ccccc21 ZINC000661211057 1042005678 /nfs/dbraw/zinc/00/56/78/1042005678.db2.gz DYTYQQYWFHMNST-UHFFFAOYSA-N 1 2 344.405 3.739 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2c(F)cccc2F)CCc2ccccc21 ZINC000661211057 1042005685 /nfs/dbraw/zinc/00/56/85/1042005685.db2.gz DYTYQQYWFHMNST-UHFFFAOYSA-N 1 2 344.405 3.739 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000661376113 1042088006 /nfs/dbraw/zinc/08/80/06/1042088006.db2.gz VJZMTCFZRABHDW-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000661376113 1042088010 /nfs/dbraw/zinc/08/80/10/1042088010.db2.gz VJZMTCFZRABHDW-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Fc1ccc(OCc2noc(C[NH+]3CCC(C4CCC4)CC3)n2)cc1 ZINC000661376415 1042089157 /nfs/dbraw/zinc/08/91/57/1042089157.db2.gz JTDWLKGPFBWJDL-UHFFFAOYSA-N 1 2 345.418 3.800 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440978 1042125708 /nfs/dbraw/zinc/12/57/08/1042125708.db2.gz WAWUSINXUZDGNT-APWZRJJASA-N 1 2 338.451 3.902 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440978 1042125716 /nfs/dbraw/zinc/12/57/16/1042125716.db2.gz WAWUSINXUZDGNT-APWZRJJASA-N 1 2 338.451 3.902 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898339 1042155660 /nfs/dbraw/zinc/15/56/60/1042155660.db2.gz BWAFYCMOHGAUMD-GHTZIAJQSA-N 1 2 336.483 3.557 20 0 EHADLO C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898339 1042155666 /nfs/dbraw/zinc/15/56/66/1042155666.db2.gz BWAFYCMOHGAUMD-GHTZIAJQSA-N 1 2 336.483 3.557 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1c(Cl)nc2cc(Cl)ccn21 ZINC001126097489 1042165234 /nfs/dbraw/zinc/16/52/34/1042165234.db2.gz OHLIHBWNWKVMSZ-UHFFFAOYSA-N 1 2 346.177 3.541 20 0 EHADLO COc1cccc(-c2nc(C[N@H+](C)CC3=CCCOC3)cs2)c1 ZINC000661657844 1042237826 /nfs/dbraw/zinc/23/78/26/1042237826.db2.gz WPQXKVMBONIRKV-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+](C)CC3=CCCOC3)cs2)c1 ZINC000661657844 1042237827 /nfs/dbraw/zinc/23/78/27/1042237827.db2.gz WPQXKVMBONIRKV-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO FCC[C@H]1CCC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000661688537 1042255956 /nfs/dbraw/zinc/25/59/56/1042255956.db2.gz CZVWRPMVIDMUMH-LLVKDONJSA-N 1 2 325.334 3.586 20 0 EHADLO FCC[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000661688537 1042255962 /nfs/dbraw/zinc/25/59/62/1042255962.db2.gz CZVWRPMVIDMUMH-LLVKDONJSA-N 1 2 325.334 3.586 20 0 EHADLO FCC[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000661688538 1042256453 /nfs/dbraw/zinc/25/64/53/1042256453.db2.gz CZVWRPMVIDMUMH-NSHDSACASA-N 1 2 325.334 3.586 20 0 EHADLO FCC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000661688538 1042256460 /nfs/dbraw/zinc/25/64/60/1042256460.db2.gz CZVWRPMVIDMUMH-NSHDSACASA-N 1 2 325.334 3.586 20 0 EHADLO Clc1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)ccn1 ZINC000066898809 1042283078 /nfs/dbraw/zinc/28/30/78/1042283078.db2.gz SUMBESJGTQEDJI-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)ccn1 ZINC000066898809 1042283083 /nfs/dbraw/zinc/28/30/83/1042283083.db2.gz SUMBESJGTQEDJI-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO Cc1noc(CCC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661735465 1042291066 /nfs/dbraw/zinc/29/10/66/1042291066.db2.gz FMQYUUHTIHBGNS-INIZCTEOSA-N 1 2 349.862 3.816 20 0 EHADLO Cc1noc(CCC[N@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661735465 1042291071 /nfs/dbraw/zinc/29/10/71/1042291071.db2.gz FMQYUUHTIHBGNS-INIZCTEOSA-N 1 2 349.862 3.816 20 0 EHADLO Cc1nccn1CCCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736661 1042291528 /nfs/dbraw/zinc/29/15/28/1042291528.db2.gz RZPTVUCBORXABH-LJQANCHMSA-N 1 2 345.462 3.963 20 0 EHADLO Cc1nccn1CCCC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736661 1042291530 /nfs/dbraw/zinc/29/15/30/1042291530.db2.gz RZPTVUCBORXABH-LJQANCHMSA-N 1 2 345.462 3.963 20 0 EHADLO Cc1[nH+]ccn1CCCCN1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736661 1042291533 /nfs/dbraw/zinc/29/15/33/1042291533.db2.gz RZPTVUCBORXABH-LJQANCHMSA-N 1 2 345.462 3.963 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736811 1042293229 /nfs/dbraw/zinc/29/32/29/1042293229.db2.gz PVCWBAYNFWBYKK-KRWDZBQOSA-N 1 2 333.863 3.734 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736811 1042293236 /nfs/dbraw/zinc/29/32/36/1042293236.db2.gz PVCWBAYNFWBYKK-KRWDZBQOSA-N 1 2 333.863 3.734 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000652330894 1042374569 /nfs/dbraw/zinc/37/45/69/1042374569.db2.gz RVITXMPUTMQLGU-ZDUSSCGKSA-N 1 2 340.427 3.685 20 0 EHADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)c1cc(OC)c(OC)c(OC)c1 ZINC000652331787 1042379700 /nfs/dbraw/zinc/37/97/00/1042379700.db2.gz UJHHBCMWYSXQAA-OAHLLOKOSA-N 1 2 346.427 3.817 20 0 EHADLO CC(C)C[C@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)n1cc[nH+]c1 ZINC000924174972 1042382897 /nfs/dbraw/zinc/38/28/97/1042382897.db2.gz WBTMXVXLOBZILR-HUUCEWRRSA-N 1 2 330.432 3.718 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2)cc1 ZINC000661969174 1042437263 /nfs/dbraw/zinc/43/72/63/1042437263.db2.gz ILWLIIQJLNLDCF-ROUUACIJSA-N 1 2 341.476 3.670 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2)cc1 ZINC000661969174 1042437267 /nfs/dbraw/zinc/43/72/67/1042437267.db2.gz ILWLIIQJLNLDCF-ROUUACIJSA-N 1 2 341.476 3.670 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCc2c(Cl)ccc(Cl)c21 ZINC000662046292 1042479680 /nfs/dbraw/zinc/47/96/80/1042479680.db2.gz RYAQTMOLPXSPIQ-UHFFFAOYSA-N 1 2 338.238 3.950 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)o2)cc1 ZINC000093772726 1042499452 /nfs/dbraw/zinc/49/94/52/1042499452.db2.gz FSVRVYYFBMYUDM-UHFFFAOYSA-N 1 2 335.469 3.510 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)o2)cc1 ZINC000093772726 1042499454 /nfs/dbraw/zinc/49/94/54/1042499454.db2.gz FSVRVYYFBMYUDM-UHFFFAOYSA-N 1 2 335.469 3.510 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(F)cc1F ZINC000662162648 1042555292 /nfs/dbraw/zinc/55/52/92/1042555292.db2.gz GCURFLCPYDQJKD-CQSZACIVSA-N 1 2 347.283 3.529 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2Cc3ccc(C)c(Br)c3C2)n1 ZINC000662191437 1042575245 /nfs/dbraw/zinc/57/52/45/1042575245.db2.gz PHCZAQILOGEVKP-UHFFFAOYSA-N 1 2 334.261 3.587 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2Cc3ccc(C)c(Br)c3C2)n1 ZINC000662191437 1042575247 /nfs/dbraw/zinc/57/52/47/1042575247.db2.gz PHCZAQILOGEVKP-UHFFFAOYSA-N 1 2 334.261 3.587 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000255265735 1042638120 /nfs/dbraw/zinc/63/81/20/1042638120.db2.gz XHANWSJEZVXMCI-ARJAWSKDSA-N 1 2 335.382 3.731 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@@]3(c4ccccc4)CC3(C)C)n2)c1 ZINC000662339578 1042687692 /nfs/dbraw/zinc/68/76/92/1042687692.db2.gz AMOGPWWYSSINSI-HXUWFJFHSA-N 1 2 334.423 3.855 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000663325743 1042691366 /nfs/dbraw/zinc/69/13/66/1042691366.db2.gz LGBPMQYBOODBKD-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000663325743 1042691370 /nfs/dbraw/zinc/69/13/70/1042691370.db2.gz LGBPMQYBOODBKD-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)n2)c1 ZINC000278873795 1042794681 /nfs/dbraw/zinc/79/46/81/1042794681.db2.gz YUAOJRRGEJAONQ-YDHLFZDLSA-N 1 2 337.427 3.742 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000069070301 1042797693 /nfs/dbraw/zinc/79/76/93/1042797693.db2.gz PSKQNNJGLCFAEF-NSHDSACASA-N 1 2 342.317 3.810 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000069070301 1042797700 /nfs/dbraw/zinc/79/77/00/1042797700.db2.gz PSKQNNJGLCFAEF-NSHDSACASA-N 1 2 342.317 3.810 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785217 1042844119 /nfs/dbraw/zinc/84/41/19/1042844119.db2.gz GCDLVKGOBPBACM-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)nc(Cl)c1 ZINC000314955368 1042887984 /nfs/dbraw/zinc/88/79/84/1042887984.db2.gz TVPFSXRGXGVMPT-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Fc1ccc2[nH]cc(CCC[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)c2c1 ZINC000343945578 1042905029 /nfs/dbraw/zinc/90/50/29/1042905029.db2.gz WDEXDWXNGPGQTQ-LJQANCHMSA-N 1 2 349.413 3.737 20 0 EHADLO CC(C)(NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1 ZINC000637065428 1042977231 /nfs/dbraw/zinc/97/72/31/1042977231.db2.gz TYMYNUFJHHMDJU-SFHVURJKSA-N 1 2 348.450 3.586 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000663533052 1042977627 /nfs/dbraw/zinc/97/76/27/1042977627.db2.gz ZGZBLOBHGFWAER-GOSISDBHSA-N 1 2 347.418 3.930 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000003491582 1042992231 /nfs/dbraw/zinc/99/22/31/1042992231.db2.gz RFGMLARJFMIWTE-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000003491582 1042992233 /nfs/dbraw/zinc/99/22/33/1042992233.db2.gz RFGMLARJFMIWTE-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000052711137 1042996658 /nfs/dbraw/zinc/99/66/58/1042996658.db2.gz NSWNWHGLCOJJEM-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000052711137 1042996660 /nfs/dbraw/zinc/99/66/60/1042996660.db2.gz NSWNWHGLCOJJEM-UHFFFAOYSA-N 1 2 329.425 3.617 20 0 EHADLO Cc1cccc2ncc(C[NH2+][C@@H](COCC(C)C)c3ccco3)n21 ZINC000343986395 1043061522 /nfs/dbraw/zinc/06/15/22/1043061522.db2.gz OLBGIQGFWMWAEP-KRWDZBQOSA-N 1 2 327.428 3.739 20 0 EHADLO CC[N@H+](Cc1cncc(OC)c1)Cc1ccccc1Br ZINC000343987451 1043066787 /nfs/dbraw/zinc/06/67/87/1043066787.db2.gz RVRQKUDFGBHJSD-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1cncc(OC)c1)Cc1ccccc1Br ZINC000343987451 1043066796 /nfs/dbraw/zinc/06/67/96/1043066796.db2.gz RVRQKUDFGBHJSD-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278954783 1043080580 /nfs/dbraw/zinc/08/05/80/1043080580.db2.gz OUKYIXPOUWZNKQ-JTQLQIEISA-N 1 2 337.411 3.509 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)cnn1C ZINC000344066889 1043192639 /nfs/dbraw/zinc/19/26/39/1043192639.db2.gz HYFJBFCUFVGZGM-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)cnn1C ZINC000344066889 1043192642 /nfs/dbraw/zinc/19/26/42/1043192642.db2.gz HYFJBFCUFVGZGM-LBPRGKRZSA-N 1 2 340.290 3.890 20 0 EHADLO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000344087825 1043232527 /nfs/dbraw/zinc/23/25/27/1043232527.db2.gz ILKJJBMPRMCUGH-NSHDSACASA-N 1 2 328.343 3.604 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000663664664 1043359253 /nfs/dbraw/zinc/35/92/53/1043359253.db2.gz YSFVGLSVGVJIRK-BFUOFWGJSA-N 1 2 337.398 3.923 20 0 EHADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000279131511 1043399246 /nfs/dbraw/zinc/39/92/46/1043399246.db2.gz DZEFGSNDVKSUJM-QMMMGPOBSA-N 1 2 330.190 3.666 20 0 EHADLO O=C(NCc1ccccc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000344205725 1043435733 /nfs/dbraw/zinc/43/57/33/1043435733.db2.gz FXQHIIVVDVWXPC-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+][C@H]1CCO[C@H]1c1cccnc1 ZINC000344250989 1043530213 /nfs/dbraw/zinc/53/02/13/1043530213.db2.gz PKJFMXOEDJCLFI-BZSNNMDCSA-N 1 2 332.394 3.768 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000512169300 1043576485 /nfs/dbraw/zinc/57/64/85/1043576485.db2.gz GKYBWFIIUSKJHP-GFCCVEGCSA-N 1 2 325.250 3.652 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000512169300 1043576494 /nfs/dbraw/zinc/57/64/94/1043576494.db2.gz GKYBWFIIUSKJHP-GFCCVEGCSA-N 1 2 325.250 3.652 20 0 EHADLO CC(C)c1nnc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000279225218 1043614500 /nfs/dbraw/zinc/61/45/00/1043614500.db2.gz IOBLKNQOMGMWPT-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO CC(C)c1nnc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000279225218 1043614505 /nfs/dbraw/zinc/61/45/05/1043614505.db2.gz IOBLKNQOMGMWPT-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000728899687 1043686277 /nfs/dbraw/zinc/68/62/77/1043686277.db2.gz MBLSQKFNGDMQPN-UHFFFAOYSA-N 1 2 339.553 3.919 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000728899687 1043686283 /nfs/dbraw/zinc/68/62/83/1043686283.db2.gz MBLSQKFNGDMQPN-UHFFFAOYSA-N 1 2 339.553 3.919 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)CN(C)C(=O)N3)c2c([nH+]1)CCCC2 ZINC000893669260 1043785480 /nfs/dbraw/zinc/78/54/80/1043785480.db2.gz XBMKFZJIAPRTTH-UHFFFAOYSA-N 1 2 336.439 3.858 20 0 EHADLO C[C@@H]1CCN(c2cc(Nc3ccccc3)ncn2)C[C@@H]1n1cc[nH+]c1 ZINC000663714422 1043787915 /nfs/dbraw/zinc/78/79/15/1043787915.db2.gz UITCRYKNDCVUGT-WBVHZDCISA-N 1 2 334.427 3.504 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187077097 1043788930 /nfs/dbraw/zinc/78/89/30/1043788930.db2.gz XFYCRTFVQNSTEW-UHFFFAOYSA-N 1 2 344.846 3.793 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187077097 1043788942 /nfs/dbraw/zinc/78/89/42/1043788942.db2.gz XFYCRTFVQNSTEW-UHFFFAOYSA-N 1 2 344.846 3.793 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(N(C)C)[nH+]c1 ZINC000162945983 1043861994 /nfs/dbraw/zinc/86/19/94/1043861994.db2.gz WYJHZYYXEFLLLJ-UHFFFAOYSA-N 1 2 335.455 3.621 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC(C1CCC1)C1CCC1 ZINC000344433185 1043999233 /nfs/dbraw/zinc/99/92/33/1043999233.db2.gz ICAFBFNVBLUGQA-UHFFFAOYSA-N 1 2 338.455 3.640 20 0 EHADLO COc1cc(C)ccc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000432545792 1044163237 /nfs/dbraw/zinc/16/32/37/1044163237.db2.gz KMDLJTJIDZKVCV-UHFFFAOYSA-N 1 2 346.390 3.965 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279539559 1044198080 /nfs/dbraw/zinc/19/80/80/1044198080.db2.gz PYGCDNRVLAIQFN-ZIAGYGMSSA-N 1 2 337.427 3.596 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N([C@@H](C)C3CC3)C3CC3)cn2c1 ZINC000344635377 1044224152 /nfs/dbraw/zinc/22/41/52/1044224152.db2.gz XKFDYPDLMKCPJS-AWEZNQCLSA-N 1 2 343.496 3.665 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1(c2ccccc2)CC1 ZINC000279610206 1044292946 /nfs/dbraw/zinc/29/29/46/1044292946.db2.gz WTUXDHHAKDQUED-UHFFFAOYSA-N 1 2 349.478 3.657 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccsc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000344701841 1044309465 /nfs/dbraw/zinc/30/94/65/1044309465.db2.gz LXNSGLNWWWWDBK-LLVKDONJSA-N 1 2 343.477 3.743 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccsc2s1)[N@H+]1CCc2ccccc2C1 ZINC000344701841 1044309473 /nfs/dbraw/zinc/30/94/73/1044309473.db2.gz LXNSGLNWWWWDBK-LLVKDONJSA-N 1 2 343.477 3.743 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)S[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000344774276 1044415811 /nfs/dbraw/zinc/41/58/11/1044415811.db2.gz MNMQOLYKHBUSBL-KBPBESRZSA-N 1 2 340.920 3.687 20 0 EHADLO Cc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1Br ZINC000344799258 1044433641 /nfs/dbraw/zinc/43/36/41/1044433641.db2.gz SOTAWJIMGNNTTG-UHFFFAOYSA-N 1 2 330.176 3.639 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606841807 1044457755 /nfs/dbraw/zinc/45/77/55/1044457755.db2.gz LNNDUKAVHIJEKH-RTBURBONSA-N 1 2 325.456 3.562 20 0 EHADLO CC(C)n1nccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000279741472 1044502809 /nfs/dbraw/zinc/50/28/09/1044502809.db2.gz XBTLMZDEGGCDAU-IBGZPJMESA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1nccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000279741472 1044502819 /nfs/dbraw/zinc/50/28/19/1044502819.db2.gz XBTLMZDEGGCDAU-IBGZPJMESA-N 1 2 331.435 3.784 20 0 EHADLO O=C(N[C@H]1CCCc2sccc21)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000344994555 1044793661 /nfs/dbraw/zinc/79/36/61/1044793661.db2.gz RFUGIWNOTIPNNW-IRXDYDNUSA-N 1 2 326.465 3.516 20 0 EHADLO O=C(N[C@H]1CCCc2sccc21)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000344994555 1044793672 /nfs/dbraw/zinc/79/36/72/1044793672.db2.gz RFUGIWNOTIPNNW-IRXDYDNUSA-N 1 2 326.465 3.516 20 0 EHADLO O=C(N[C@H]1CCCc2sccc21)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000344994553 1044794605 /nfs/dbraw/zinc/79/46/05/1044794605.db2.gz RFUGIWNOTIPNNW-DLBZAZTESA-N 1 2 326.465 3.516 20 0 EHADLO O=C(N[C@H]1CCCc2sccc21)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000344994553 1044794623 /nfs/dbraw/zinc/79/46/23/1044794623.db2.gz RFUGIWNOTIPNNW-DLBZAZTESA-N 1 2 326.465 3.516 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000620409953 1125569275 /nfs/dbraw/zinc/56/92/75/1125569275.db2.gz MMWYAGHVLSHSBT-UHFFFAOYSA-N 1 2 337.345 3.662 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1N1CCc2ccccc21 ZINC000620410122 1125569294 /nfs/dbraw/zinc/56/92/94/1125569294.db2.gz YGKDQGSNUISOPQ-UHFFFAOYSA-N 1 2 346.434 3.996 20 0 EHADLO Cc1ncsc1C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000154218369 1125704130 /nfs/dbraw/zinc/70/41/30/1125704130.db2.gz GOVKZXGYSFFDEC-UHFFFAOYSA-N 1 2 339.867 3.562 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000675249233 1130295689 /nfs/dbraw/zinc/29/56/89/1130295689.db2.gz UCOYERADXSTOEW-CYBMUJFWSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000675249233 1130295695 /nfs/dbraw/zinc/29/56/95/1130295695.db2.gz UCOYERADXSTOEW-CYBMUJFWSA-N 1 2 328.225 3.515 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622681496 1126747255 /nfs/dbraw/zinc/74/72/55/1126747255.db2.gz OKQIYHACHXXVLM-IBGZPJMESA-N 1 2 334.891 3.857 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622681496 1126747260 /nfs/dbraw/zinc/74/72/60/1126747260.db2.gz OKQIYHACHXXVLM-IBGZPJMESA-N 1 2 334.891 3.857 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccccc2)c1C ZINC000171821496 1126765230 /nfs/dbraw/zinc/76/52/30/1126765230.db2.gz WVPJUJYNHMFXCG-AWEZNQCLSA-N 1 2 326.440 3.544 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000172079613 1126779649 /nfs/dbraw/zinc/77/96/49/1126779649.db2.gz KSLDXUXQTYMGNR-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000172079613 1126779654 /nfs/dbraw/zinc/77/96/54/1126779654.db2.gz KSLDXUXQTYMGNR-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3cc(F)ccc3o2)c1C ZINC000172113866 1126781307 /nfs/dbraw/zinc/78/13/07/1126781307.db2.gz YZLDAKOJXFXOTP-UHFFFAOYSA-N 1 2 342.370 3.865 20 0 EHADLO CC(C)CN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000172650099 1126805545 /nfs/dbraw/zinc/80/55/45/1126805545.db2.gz VESXIABKWLEZNV-UHFFFAOYSA-N 1 2 342.487 3.550 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1nc(C(C)(C)C)no1 ZINC000173199384 1126826116 /nfs/dbraw/zinc/82/61/16/1126826116.db2.gz DEPUZVGKHPHNIE-KBPBESRZSA-N 1 2 339.443 3.965 20 0 EHADLO COc1ccccc1[C@H](NCc1c[nH+]cn1C)c1ccccc1Cl ZINC000174456887 1126853439 /nfs/dbraw/zinc/85/34/39/1126853439.db2.gz WVYXHFDDZRAOHO-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(C1CC1)C1CCCC1 ZINC000175233565 1126867776 /nfs/dbraw/zinc/86/77/76/1126867776.db2.gz BTVLJUCHDCLXCU-UHFFFAOYSA-N 1 2 342.487 3.689 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000623121048 1126880323 /nfs/dbraw/zinc/88/03/23/1126880323.db2.gz OJOFUVGBDKZPGS-UHFFFAOYSA-N 1 2 342.405 3.760 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000623121048 1126880327 /nfs/dbraw/zinc/88/03/27/1126880327.db2.gz OJOFUVGBDKZPGS-UHFFFAOYSA-N 1 2 342.405 3.760 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000623121516 1126880960 /nfs/dbraw/zinc/88/09/60/1126880960.db2.gz ZXFBIVKVLJYMTQ-UHFFFAOYSA-N 1 2 334.426 3.830 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000623121516 1126880964 /nfs/dbraw/zinc/88/09/64/1126880964.db2.gz ZXFBIVKVLJYMTQ-UHFFFAOYSA-N 1 2 334.426 3.830 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+](CC)CCC(F)(F)F)n2)cc1 ZINC000623121269 1126881423 /nfs/dbraw/zinc/88/14/23/1126881423.db2.gz STHTZSODVXXRON-UHFFFAOYSA-N 1 2 343.349 3.910 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+](CC)CCC(F)(F)F)n2)cc1 ZINC000623121269 1126881428 /nfs/dbraw/zinc/88/14/28/1126881428.db2.gz STHTZSODVXXRON-UHFFFAOYSA-N 1 2 343.349 3.910 20 0 EHADLO CCCCCOc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1OC ZINC000623236982 1126900993 /nfs/dbraw/zinc/90/09/93/1126900993.db2.gz LZBOAWRRLUOWNF-UHFFFAOYSA-N 1 2 329.444 3.546 20 0 EHADLO CCCCCOc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1OC ZINC000623236982 1126900994 /nfs/dbraw/zinc/90/09/94/1126900994.db2.gz LZBOAWRRLUOWNF-UHFFFAOYSA-N 1 2 329.444 3.546 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1cccc(COc2ccccc2)c1 ZINC000623273924 1126906868 /nfs/dbraw/zinc/90/68/68/1126906868.db2.gz WHSTVGGSINOLMR-UHFFFAOYSA-N 1 2 349.434 3.559 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296096 1126910678 /nfs/dbraw/zinc/91/06/78/1126910678.db2.gz ATXYKWFDTOCVGL-RDJZCZTQSA-N 1 2 331.847 3.551 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301819 1126911495 /nfs/dbraw/zinc/91/14/95/1126911495.db2.gz UKKXOIUZSHFUOB-QVFKTBPPSA-N 1 2 343.515 3.947 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000623308509 1126915751 /nfs/dbraw/zinc/91/57/51/1126915751.db2.gz COEQPBCUAGROMW-QGZVFWFLSA-N 1 2 337.467 3.525 20 0 EHADLO Cc1csc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)n1 ZINC000623350796 1126927779 /nfs/dbraw/zinc/92/77/79/1126927779.db2.gz SYZZYBNZXGGGFZ-UHFFFAOYSA-N 1 2 334.338 3.822 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462543 1126961007 /nfs/dbraw/zinc/96/10/07/1126961007.db2.gz NLLSQIPDDFGWGR-KSSFIOAISA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462543 1126961010 /nfs/dbraw/zinc/96/10/10/1126961010.db2.gz NLLSQIPDDFGWGR-KSSFIOAISA-N 1 2 343.858 3.577 20 0 EHADLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3ccccc3c2)cn1 ZINC000072981466 1126962425 /nfs/dbraw/zinc/96/24/25/1126962425.db2.gz PRSOMUZMOIQZNJ-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3ccccc3c2)cn1 ZINC000072981466 1126962428 /nfs/dbraw/zinc/96/24/28/1126962428.db2.gz PRSOMUZMOIQZNJ-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)o1 ZINC000623531385 1126977341 /nfs/dbraw/zinc/97/73/41/1126977341.db2.gz XCCSENDCGAMRID-UHFFFAOYSA-N 1 2 346.324 3.915 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000177959715 1127003722 /nfs/dbraw/zinc/00/37/22/1127003722.db2.gz YPNVOKWVGYWZMB-OALUTQOASA-N 1 2 348.450 3.545 20 0 EHADLO CO[C@H]1CCC[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349668168 1127046248 /nfs/dbraw/zinc/04/62/48/1127046248.db2.gz KPVCCNRMDWVUGU-IRXDYDNUSA-N 1 2 338.411 3.654 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000179263150 1127053664 /nfs/dbraw/zinc/05/36/64/1127053664.db2.gz IUSWGWKPWPTHTD-GOSISDBHSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1cccc(N2CCCC2=O)c1 ZINC000179285788 1127055042 /nfs/dbraw/zinc/05/50/42/1127055042.db2.gz BDEOULLNKNILOO-CQSZACIVSA-N 1 2 334.423 3.873 20 0 EHADLO Fc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000351027517 1127132545 /nfs/dbraw/zinc/13/25/45/1127132545.db2.gz RSNWBPIOOYGBGK-CZUORRHYSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000351027517 1127132550 /nfs/dbraw/zinc/13/25/50/1127132550.db2.gz RSNWBPIOOYGBGK-CZUORRHYSA-N 1 2 343.358 3.548 20 0 EHADLO CCO[C@@H](C)c1noc(CSCc2[nH+]cc(C)c(OC)c2C)n1 ZINC000180391022 1127151580 /nfs/dbraw/zinc/15/15/80/1127151580.db2.gz WVWZBJPBGLMGPF-LBPRGKRZSA-N 1 2 337.445 3.621 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)c1 ZINC000180672099 1127179560 /nfs/dbraw/zinc/17/95/60/1127179560.db2.gz FCUXDPIPTRQGAJ-LBPRGKRZSA-N 1 2 340.427 3.671 20 0 EHADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)NCCCC1CCCCC1 ZINC000180871495 1127190692 /nfs/dbraw/zinc/19/06/92/1127190692.db2.gz VUIGRLMHQDBTEH-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)NCCCC1CCCCC1 ZINC000180871495 1127190694 /nfs/dbraw/zinc/19/06/94/1127190694.db2.gz VUIGRLMHQDBTEH-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO CC[C@H](CN[C@@H](C)c1nc(C)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000623857203 1127199412 /nfs/dbraw/zinc/19/94/12/1127199412.db2.gz KRAXBTKGLWBYNX-MAUKXSAKSA-N 1 2 329.513 3.939 20 0 EHADLO CC[C@H](CN[C@@H](C)c1nc(C)cs1)[N@H+]1CCc2ccccc2C1 ZINC000623857203 1127199416 /nfs/dbraw/zinc/19/94/16/1127199416.db2.gz KRAXBTKGLWBYNX-MAUKXSAKSA-N 1 2 329.513 3.939 20 0 EHADLO C[C@H](CN[C@@H]1CCCc2scnc21)[N@@H+]1CCc2ccccc2C1 ZINC000623875570 1127203679 /nfs/dbraw/zinc/20/36/79/1127203679.db2.gz OBUIHYZMEQRTFG-RHSMWYFYSA-N 1 2 327.497 3.557 20 0 EHADLO C[C@H](CN[C@@H]1CCCc2scnc21)[N@H+]1CCc2ccccc2C1 ZINC000623875570 1127203680 /nfs/dbraw/zinc/20/36/80/1127203680.db2.gz OBUIHYZMEQRTFG-RHSMWYFYSA-N 1 2 327.497 3.557 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)c(N2CCCC2)n1 ZINC000623957384 1127222129 /nfs/dbraw/zinc/22/21/29/1127222129.db2.gz HKVSAVFCVAVBDY-HNNXBMFYSA-N 1 2 328.485 3.614 20 0 EHADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2csnn2)cc1 ZINC000181256324 1127271480 /nfs/dbraw/zinc/27/14/80/1127271480.db2.gz YPXIQHXKKDYAPY-GOSISDBHSA-N 1 2 343.427 3.759 20 0 EHADLO Clc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc(Cl)n1 ZINC000083414037 1127294531 /nfs/dbraw/zinc/29/45/31/1127294531.db2.gz MBDNRJHTRAXLQW-CQSZACIVSA-N 1 2 345.270 3.548 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)cc1F ZINC000181762234 1127295006 /nfs/dbraw/zinc/29/50/06/1127295006.db2.gz QLXHXTKNGRDBIV-KRWDZBQOSA-N 1 2 334.414 3.848 20 0 EHADLO Cc1nnc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)n1C1CC1 ZINC000182186676 1127316073 /nfs/dbraw/zinc/31/60/73/1127316073.db2.gz AZHJKPASGRJEEI-UHFFFAOYSA-N 1 2 332.451 3.975 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](CCCOCc2ccccc2)CCO1 ZINC000182317528 1127323158 /nfs/dbraw/zinc/32/31/58/1127323158.db2.gz WSEIDLWYWDEWJH-HXUWFJFHSA-N 1 2 329.415 3.806 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](CCCOCc2ccccc2)CCO1 ZINC000182317528 1127323162 /nfs/dbraw/zinc/32/31/62/1127323162.db2.gz WSEIDLWYWDEWJH-HXUWFJFHSA-N 1 2 329.415 3.806 20 0 EHADLO C[C@@H](NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccn1C ZINC000182388674 1127327479 /nfs/dbraw/zinc/32/74/79/1127327479.db2.gz KSCCYWAAUPHOTH-RHSMWYFYSA-N 1 2 332.879 3.561 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000182574998 1127337565 /nfs/dbraw/zinc/33/75/65/1127337565.db2.gz UFCSJLSUBVHVTG-QGZVFWFLSA-N 1 2 335.835 3.543 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000183094769 1127362344 /nfs/dbraw/zinc/36/23/44/1127362344.db2.gz LXNMPEIZVSABNQ-RCDICMHDSA-N 1 2 336.526 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1cccc(-n2cccn2)c1 ZINC000183598842 1127382407 /nfs/dbraw/zinc/38/24/07/1127382407.db2.gz KCVLPIDNVHSSJQ-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO CCn1c(C[NH2+]C(C)(C)c2ncc(C)s2)nc2cc(F)ccc21 ZINC000183968016 1127390681 /nfs/dbraw/zinc/39/06/81/1127390681.db2.gz NNLAHXJHIZJWRU-UHFFFAOYSA-N 1 2 332.448 3.985 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1nccs1 ZINC000184451907 1127404741 /nfs/dbraw/zinc/40/47/41/1127404741.db2.gz RQNZCQMDSAQUPK-ZJUUUORDSA-N 1 2 338.502 3.575 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1nc(C(C)(C)C)cs1 ZINC000184506655 1127407026 /nfs/dbraw/zinc/40/70/26/1127407026.db2.gz RLOMTZMDZHTTQQ-OLZOCXBDSA-N 1 2 349.544 3.881 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184555997 1127408635 /nfs/dbraw/zinc/40/86/35/1127408635.db2.gz NGUZEAOGODHJCW-PBHICJAKSA-N 1 2 344.455 3.709 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)cs1 ZINC000184737574 1127412501 /nfs/dbraw/zinc/41/25/01/1127412501.db2.gz QVAJRBYIGXQZBY-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(CC)cc2)o1 ZINC000184773303 1127413046 /nfs/dbraw/zinc/41/30/46/1127413046.db2.gz YLLGOLZMHDUWEE-KSSFIOAISA-N 1 2 344.455 3.709 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@H](CC)c1nccs1)c1ccccc1 ZINC000185106381 1127420709 /nfs/dbraw/zinc/42/07/09/1127420709.db2.gz VFMIVSJTRHNLOR-HZPDHXFCSA-N 1 2 331.485 3.841 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1nccs1 ZINC000185104436 1127420776 /nfs/dbraw/zinc/42/07/76/1127420776.db2.gz KDYICKLJTJJPEX-GOEBONIOSA-N 1 2 331.485 3.678 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000193722373 1127443358 /nfs/dbraw/zinc/44/33/58/1127443358.db2.gz OALXERFEINKVHX-UHFFFAOYSA-N 1 2 331.504 4.000 20 0 EHADLO Cc1csc(C2([NH2+]CN3C(=O)[C@@H](C)[C@H]3c3ccccc3)CCC2)n1 ZINC000764113987 1127444714 /nfs/dbraw/zinc/44/47/14/1127444714.db2.gz SGFQDBUFLGCVAR-HOCLYGCPSA-N 1 2 341.480 3.597 20 0 EHADLO O=C(Nc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194316452 1127456831 /nfs/dbraw/zinc/45/68/31/1127456831.db2.gz DYAAEFFRVKOHHS-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO CC[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000764180225 1127457955 /nfs/dbraw/zinc/45/79/55/1127457955.db2.gz ZRROXHCHEQYQCV-INIZCTEOSA-N 1 2 342.405 3.507 20 0 EHADLO CC[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000764180225 1127457956 /nfs/dbraw/zinc/45/79/56/1127457956.db2.gz ZRROXHCHEQYQCV-INIZCTEOSA-N 1 2 342.405 3.507 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)C2CCC(C)CC2)nc1-c1ccccn1 ZINC000764890530 1127546360 /nfs/dbraw/zinc/54/63/60/1127546360.db2.gz WUGNJJVCXUBNAK-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)C2CCC(C)CC2)nc1-c1ccccn1 ZINC000764890530 1127546362 /nfs/dbraw/zinc/54/63/62/1127546362.db2.gz WUGNJJVCXUBNAK-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914510 1127550859 /nfs/dbraw/zinc/55/08/59/1127550859.db2.gz IJFCFRNBMOBHPZ-HNNXBMFYSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914510 1127550863 /nfs/dbraw/zinc/55/08/63/1127550863.db2.gz IJFCFRNBMOBHPZ-HNNXBMFYSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058678 1127568098 /nfs/dbraw/zinc/56/80/98/1127568098.db2.gz WIEDDQNERSXOKS-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000765058678 1127568099 /nfs/dbraw/zinc/56/80/99/1127568099.db2.gz WIEDDQNERSXOKS-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765310765 1127595486 /nfs/dbraw/zinc/59/54/86/1127595486.db2.gz MRKKKRAYQLMMJU-RDJZCZTQSA-N 1 2 338.373 3.624 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765310765 1127595488 /nfs/dbraw/zinc/59/54/88/1127595488.db2.gz MRKKKRAYQLMMJU-RDJZCZTQSA-N 1 2 338.373 3.624 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000654608101 1127596228 /nfs/dbraw/zinc/59/62/28/1127596228.db2.gz JCPPBBUTESBGLH-OLMNPRSZSA-N 1 2 344.434 3.766 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000765317999 1127598500 /nfs/dbraw/zinc/59/85/00/1127598500.db2.gz GZCQAZIHOSTKQO-MAUKXSAKSA-N 1 2 346.471 3.534 20 0 EHADLO CC[NH+](CC)[C@H](CNCc1ccnn1C1CCC1)c1ccsc1 ZINC000921525214 1127625827 /nfs/dbraw/zinc/62/58/27/1127625827.db2.gz WXOWKNIRUSHMMF-GOSISDBHSA-N 1 2 332.517 3.842 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000010107141 1127628207 /nfs/dbraw/zinc/62/82/07/1127628207.db2.gz BLDUGBXARNDBLW-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000010107141 1127628210 /nfs/dbraw/zinc/62/82/10/1127628210.db2.gz BLDUGBXARNDBLW-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO COc1ccc(OCCCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000010896037 1127634358 /nfs/dbraw/zinc/63/43/58/1127634358.db2.gz QAUHBZBAWDJBEM-UHFFFAOYSA-N 1 2 339.395 3.678 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014930024 1127649341 /nfs/dbraw/zinc/64/93/41/1127649341.db2.gz OBHWDSQGJUKOQA-WCQYABFASA-N 1 2 335.860 3.961 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014930024 1127649343 /nfs/dbraw/zinc/64/93/43/1127649343.db2.gz OBHWDSQGJUKOQA-WCQYABFASA-N 1 2 335.860 3.961 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014924163 1127649440 /nfs/dbraw/zinc/64/94/40/1127649440.db2.gz XGGYLSMVDLUPOX-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014924163 1127649443 /nfs/dbraw/zinc/64/94/43/1127649443.db2.gz XGGYLSMVDLUPOX-UONOGXRCSA-N 1 2 328.378 3.905 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572000 1127655925 /nfs/dbraw/zinc/65/59/25/1127655925.db2.gz HSELUROSFLUFJB-MRXNPFEDSA-N 1 2 334.510 3.672 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015572000 1127655927 /nfs/dbraw/zinc/65/59/27/1127655927.db2.gz HSELUROSFLUFJB-MRXNPFEDSA-N 1 2 334.510 3.672 20 0 EHADLO C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)csc2C1 ZINC000023607765 1127698608 /nfs/dbraw/zinc/69/86/08/1127698608.db2.gz CMXOQEMEXKYUDX-JTQLQIEISA-N 1 2 347.509 3.570 20 0 EHADLO C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)csc2C1 ZINC000023607765 1127698611 /nfs/dbraw/zinc/69/86/11/1127698611.db2.gz CMXOQEMEXKYUDX-JTQLQIEISA-N 1 2 347.509 3.570 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2(C(F)(F)F)CCCC2)c2cnn[nH]2)cc1 ZINC000624273189 1127711597 /nfs/dbraw/zinc/71/15/97/1127711597.db2.gz XXWKKTBQXFYVHZ-AWEZNQCLSA-N 1 2 342.340 3.746 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)nc2ccccc12 ZINC000765639386 1127717418 /nfs/dbraw/zinc/71/74/18/1127717418.db2.gz ZIUBAKHGINEPGD-OAHLLOKOSA-N 1 2 343.434 3.975 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C)nc1 ZINC000765644179 1127718393 /nfs/dbraw/zinc/71/83/93/1127718393.db2.gz ZJQBIXHYKNIJEI-QGZVFWFLSA-N 1 2 333.476 3.611 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C)nc1 ZINC000765644179 1127718396 /nfs/dbraw/zinc/71/83/96/1127718396.db2.gz ZJQBIXHYKNIJEI-QGZVFWFLSA-N 1 2 333.476 3.611 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029832932 1127809516 /nfs/dbraw/zinc/80/95/16/1127809516.db2.gz BQCGJBXHBSNAGR-LBPRGKRZSA-N 1 2 332.354 3.799 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029832932 1127809518 /nfs/dbraw/zinc/80/95/18/1127809518.db2.gz BQCGJBXHBSNAGR-LBPRGKRZSA-N 1 2 332.354 3.799 20 0 EHADLO Cc1cc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000029951414 1127811582 /nfs/dbraw/zinc/81/15/82/1127811582.db2.gz QMDZDBZJRXZKGR-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000030274542 1127817047 /nfs/dbraw/zinc/81/70/47/1127817047.db2.gz IWUCAWMZLCTIDO-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000030274542 1127817052 /nfs/dbraw/zinc/81/70/52/1127817052.db2.gz IWUCAWMZLCTIDO-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO O=C(Nc1ccccc1N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030605467 1127822563 /nfs/dbraw/zinc/82/25/63/1127822563.db2.gz WSVNCHNZOXNSDG-UHFFFAOYSA-N 1 2 332.407 3.725 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1C(F)(F)F ZINC000031242682 1127831138 /nfs/dbraw/zinc/83/11/38/1127831138.db2.gz DNSXLOWUGRURCO-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1C(F)(F)F ZINC000031242682 1127831142 /nfs/dbraw/zinc/83/11/42/1127831142.db2.gz DNSXLOWUGRURCO-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265634042 1127881617 /nfs/dbraw/zinc/88/16/17/1127881617.db2.gz KFFJPFUHUXQNJL-MAUKXSAKSA-N 1 2 325.456 3.872 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)cc1F ZINC000043275767 1127916564 /nfs/dbraw/zinc/91/65/64/1127916564.db2.gz VQQFLNMFXIFKCL-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC3=CCCCC3)cn2c1 ZINC000043507591 1127921551 /nfs/dbraw/zinc/92/15/51/1127921551.db2.gz VOAMTUHLEMXEOI-UHFFFAOYSA-N 1 2 343.496 3.883 20 0 EHADLO CCc1ccc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000043864754 1127928511 /nfs/dbraw/zinc/92/85/11/1127928511.db2.gz IDQHQOSLWDTKFV-MAUKXSAKSA-N 1 2 328.460 3.531 20 0 EHADLO CCc1noc([C@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000044344935 1127935287 /nfs/dbraw/zinc/93/52/87/1127935287.db2.gz TZCWOMDMYYGSQK-ZDUSSCGKSA-N 1 2 325.412 3.987 20 0 EHADLO CCc1noc([C@H](C)[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000044344935 1127935289 /nfs/dbraw/zinc/93/52/89/1127935289.db2.gz TZCWOMDMYYGSQK-ZDUSSCGKSA-N 1 2 325.412 3.987 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914044 1127963759 /nfs/dbraw/zinc/96/37/59/1127963759.db2.gz PXJYFTXGUOSLET-DNVCBOLYSA-N 1 2 343.471 3.919 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000046341615 1127976304 /nfs/dbraw/zinc/97/63/04/1127976304.db2.gz BNGREDKFVQKNMB-HUUCEWRRSA-N 1 2 342.414 3.687 20 0 EHADLO O=C(Nc1nc(-c2ccco2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047170712 1128001760 /nfs/dbraw/zinc/00/17/60/1128001760.db2.gz WNRFFRRMMZZUAZ-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000047248063 1128003940 /nfs/dbraw/zinc/00/39/40/1128003940.db2.gz GVARKHZPRQWDHF-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056745416 1128027423 /nfs/dbraw/zinc/02/74/23/1128027423.db2.gz OIDRBNJLQYHBJA-OAHLLOKOSA-N 1 2 330.432 3.662 20 0 EHADLO C[N@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168581119 1128036204 /nfs/dbraw/zinc/03/62/04/1128036204.db2.gz ZSCOOIAHGBDMCD-NXEZZACHSA-N 1 2 346.340 3.514 20 0 EHADLO C[N@@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168581119 1128036206 /nfs/dbraw/zinc/03/62/06/1128036206.db2.gz ZSCOOIAHGBDMCD-NXEZZACHSA-N 1 2 346.340 3.514 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057903258 1128060999 /nfs/dbraw/zinc/06/09/99/1128060999.db2.gz ZPWLUPVJLOVBCS-SWLSCSKDSA-N 1 2 325.437 3.883 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057903258 1128061005 /nfs/dbraw/zinc/06/10/05/1128061005.db2.gz ZPWLUPVJLOVBCS-SWLSCSKDSA-N 1 2 325.437 3.883 20 0 EHADLO FC(F)(F)Cn1ccnc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000057873118 1128060526 /nfs/dbraw/zinc/06/05/26/1128060526.db2.gz YVOBDXSHNBSJRQ-UHFFFAOYSA-N 1 2 327.350 3.983 20 0 EHADLO FC(F)(F)Cn1ccnc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000057873118 1128060531 /nfs/dbraw/zinc/06/05/31/1128060531.db2.gz YVOBDXSHNBSJRQ-UHFFFAOYSA-N 1 2 327.350 3.983 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000061021237 1128118201 /nfs/dbraw/zinc/11/82/01/1128118201.db2.gz SYTHMRAAAHCTQX-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1C ZINC000352097262 1128145570 /nfs/dbraw/zinc/14/55/70/1128145570.db2.gz QDTDJXGHLKONIE-QWHCGFSZSA-N 1 2 344.377 3.644 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000064139804 1128163348 /nfs/dbraw/zinc/16/33/48/1128163348.db2.gz GNEQJZNTBVKFGH-LLVKDONJSA-N 1 2 338.320 3.529 20 0 EHADLO Fc1cccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c12 ZINC000067904909 1128253306 /nfs/dbraw/zinc/25/33/06/1128253306.db2.gz RGVWVGAVDVMQFC-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(N(C)C(C)C)c3)[nH+]c12 ZINC000068164260 1128260423 /nfs/dbraw/zinc/26/04/23/1128260423.db2.gz KORGXEWNLNCLSV-UHFFFAOYSA-N 1 2 336.439 3.669 20 0 EHADLO CSc1ccc(C)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000065737907 1128200115 /nfs/dbraw/zinc/20/01/15/1128200115.db2.gz BYMJGFCTZLQVPZ-UHFFFAOYSA-N 1 2 337.448 3.833 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000067523597 1128243308 /nfs/dbraw/zinc/24/33/08/1128243308.db2.gz NCDWYIKKWXZALY-GOSISDBHSA-N 1 2 349.409 3.748 20 0 EHADLO NC(=O)c1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000068621726 1128270077 /nfs/dbraw/zinc/27/00/77/1128270077.db2.gz CXDSAJXMJMUVMQ-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072484760 1128298526 /nfs/dbraw/zinc/29/85/26/1128298526.db2.gz VPWBDOTWUOBXGT-UHFFFAOYSA-N 1 2 342.487 3.755 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000072484721 1128298731 /nfs/dbraw/zinc/29/87/31/1128298731.db2.gz JFJPOMPWDBLHKO-UHFFFAOYSA-N 1 2 346.434 3.742 20 0 EHADLO CCCn1cc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)cn1 ZINC000072923938 1128309907 /nfs/dbraw/zinc/30/99/07/1128309907.db2.gz VCMUKPVHLGRKAD-UHFFFAOYSA-N 1 2 332.395 3.793 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000072979113 1128312360 /nfs/dbraw/zinc/31/23/60/1128312360.db2.gz YEWVDPKAMFUSLS-UWJYYQICSA-N 1 2 339.483 3.846 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000073180572 1128317843 /nfs/dbraw/zinc/31/78/43/1128317843.db2.gz BHXRNFRXCFJMCI-LJQANCHMSA-N 1 2 339.464 3.974 20 0 EHADLO Cc1ccc(/C=C/C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000073171642 1128318125 /nfs/dbraw/zinc/31/81/25/1128318125.db2.gz ULFDLLRUOPXWDX-ZHACJKMWSA-N 1 2 331.419 3.569 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000073376153 1128322424 /nfs/dbraw/zinc/32/24/24/1128322424.db2.gz GPVWCOVWYXVOJS-UHFFFAOYSA-N 1 2 329.762 3.981 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3cccc(C(C)C)c3)[nH+]c12 ZINC000655001224 1128376667 /nfs/dbraw/zinc/37/66/67/1128376667.db2.gz VJTJWTDLXNIBIB-UHFFFAOYSA-N 1 2 335.451 3.668 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3CC4(C3)CCCO4)c12 ZINC000624543650 1128390479 /nfs/dbraw/zinc/39/04/79/1128390479.db2.gz GAICEVCJPYXBKS-UHFFFAOYSA-N 1 2 337.192 3.506 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Cl)c(F)c2)c1C ZINC000051615096 1128392153 /nfs/dbraw/zinc/39/21/53/1128392153.db2.gz PVLGZMCWGLEVFY-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3ccccc3C)[nH+]c12 ZINC000624580669 1128398074 /nfs/dbraw/zinc/39/80/74/1128398074.db2.gz JQGNFALJVGOGJO-IBGZPJMESA-N 1 2 333.435 3.857 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(Br)c[nH]1 ZINC000921645018 1128404437 /nfs/dbraw/zinc/40/44/37/1128404437.db2.gz TXALBPXKHNNEPK-GFCCVEGCSA-N 1 2 338.249 3.812 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(Br)c[nH]1 ZINC000921645022 1128404725 /nfs/dbraw/zinc/40/47/25/1128404725.db2.gz TXALBPXKHNNEPK-LBPRGKRZSA-N 1 2 338.249 3.812 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3c(C4CCC4)cnn3C)cc2)[nH+]c1C ZINC000921654000 1128435902 /nfs/dbraw/zinc/43/59/02/1128435902.db2.gz MPSFWMJIPOFBON-UHFFFAOYSA-N 1 2 349.438 3.947 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccnn3CC(C)C)cc2)[nH+]c1C ZINC000921654941 1128436670 /nfs/dbraw/zinc/43/66/70/1128436670.db2.gz KWXOAHWLZLOZDA-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCC(=O)[C@@H]3C)cc2)[nH+]c1C ZINC000921658325 1128438655 /nfs/dbraw/zinc/43/86/55/1128438655.db2.gz RGMYPRXGMCDHEC-ABAIWWIYSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCOC4(CCC4)C3)cc2)[nH+]c1C ZINC000921668145 1128447966 /nfs/dbraw/zinc/44/79/66/1128447966.db2.gz OPMXERPEKAPMAA-MRXNPFEDSA-N 1 2 339.439 3.981 20 0 EHADLO Cc1ccc(S(=O)(=O)CCCSc2[nH+]cc3ccccn32)cc1 ZINC000091577048 1128459820 /nfs/dbraw/zinc/45/98/20/1128459820.db2.gz MEKZYVRIWMOTNT-UHFFFAOYSA-N 1 2 346.477 3.599 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000369320515 1128525766 /nfs/dbraw/zinc/52/57/66/1128525766.db2.gz YTCLHNQAZOABGD-IXDOHACOSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1csc([C@@H]2CCCC[N@@H+]2Cc2cnn(CC(F)(F)F)c2)n1 ZINC000353106572 1128533999 /nfs/dbraw/zinc/53/39/99/1128533999.db2.gz DEXRIGJJRYWCBF-ZDUSSCGKSA-N 1 2 344.406 3.938 20 0 EHADLO Cc1csc([C@@H]2CCCC[N@H+]2Cc2cnn(CC(F)(F)F)c2)n1 ZINC000353106572 1128534001 /nfs/dbraw/zinc/53/40/01/1128534001.db2.gz DEXRIGJJRYWCBF-ZDUSSCGKSA-N 1 2 344.406 3.938 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465713021 1128579849 /nfs/dbraw/zinc/57/98/49/1128579849.db2.gz AWPBESBWOUDVRR-LSDHHAIUSA-N 1 2 344.434 3.732 20 0 EHADLO O=C(CCC1CCCCC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000301689806 1128602437 /nfs/dbraw/zinc/60/24/37/1128602437.db2.gz XPDIRSVKDGQVCY-UHFFFAOYSA-N 1 2 344.499 3.570 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2CCC(C)CC2)cc1 ZINC000303679986 1128687223 /nfs/dbraw/zinc/68/72/23/1128687223.db2.gz RMNNHZXWTKRJNV-KVZIAJEVSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2CCC(C)CC2)cc1 ZINC000303679986 1128687224 /nfs/dbraw/zinc/68/72/24/1128687224.db2.gz RMNNHZXWTKRJNV-KVZIAJEVSA-N 1 2 346.540 3.780 20 0 EHADLO Clc1cc(Cl)cc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000303907701 1128707195 /nfs/dbraw/zinc/70/71/95/1128707195.db2.gz MHGQPZMHRBMEAD-GFCCVEGCSA-N 1 2 340.254 3.975 20 0 EHADLO Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000303907701 1128707197 /nfs/dbraw/zinc/70/71/97/1128707197.db2.gz MHGQPZMHRBMEAD-GFCCVEGCSA-N 1 2 340.254 3.975 20 0 EHADLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000060493712 1128734418 /nfs/dbraw/zinc/73/44/18/1128734418.db2.gz PGSULQSBDIZVOA-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO CCCN(CC(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265741995 1128741013 /nfs/dbraw/zinc/74/10/13/1128741013.db2.gz AJYNXDAYJWGNQG-UHFFFAOYSA-N 1 2 344.459 3.862 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000672140951 1128792288 /nfs/dbraw/zinc/79/22/88/1128792288.db2.gz RLHIXQCDJDNEQK-SJLPKXTDSA-N 1 2 341.455 3.672 20 0 EHADLO CC[C@@](C)([NH2+]Cc1ccc(Br)cn1)c1nccs1 ZINC000265762147 1128795584 /nfs/dbraw/zinc/79/55/84/1128795584.db2.gz KCFALYGNFUBOMC-CYBMUJFWSA-N 1 2 326.263 3.716 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672157678 1128821217 /nfs/dbraw/zinc/82/12/17/1128821217.db2.gz HGQRXPHMHDSSPK-IBGZPJMESA-N 1 2 339.483 3.536 20 0 EHADLO COc1ccc(Br)cc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672198952 1128844443 /nfs/dbraw/zinc/84/44/43/1128844443.db2.gz ZGWADFNSJZOPFA-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO OCC1CCN(c2ccc(NCc3ccc(Cl)c(F)c3)[nH+]c2)CC1 ZINC000150937547 1128868590 /nfs/dbraw/zinc/86/85/90/1128868590.db2.gz CELQHTYBQYEMPO-UHFFFAOYSA-N 1 2 349.837 3.695 20 0 EHADLO Cn1ccc(C[N@H+](C)Cc2cccc(OCc3ccc(F)cc3)c2)n1 ZINC001653238773 1120071089 /nfs/dbraw/zinc/07/10/89/1120071089.db2.gz PDMPCEKTFBPARD-UHFFFAOYSA-N 1 2 339.414 3.770 20 0 EHADLO Cn1ccc(C[N@@H+](C)Cc2cccc(OCc3ccc(F)cc3)c2)n1 ZINC001653238773 1120071093 /nfs/dbraw/zinc/07/10/93/1120071093.db2.gz PDMPCEKTFBPARD-UHFFFAOYSA-N 1 2 339.414 3.770 20 0 EHADLO Cc1ccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)cc1C ZINC000227827175 1120185209 /nfs/dbraw/zinc/18/52/09/1120185209.db2.gz HTQZIAMKDZVWDG-UHFFFAOYSA-N 1 2 328.403 3.553 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(c3cccc(Cl)c3)CCC2)c[nH+]1 ZINC001648932783 1120237941 /nfs/dbraw/zinc/23/79/41/1120237941.db2.gz SQXWGZAUDRASFW-UHFFFAOYSA-N 1 2 345.874 3.818 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000182029643 1120312035 /nfs/dbraw/zinc/31/20/35/1120312035.db2.gz BWTAKCKBBPKEAT-UHFFFAOYSA-N 1 2 330.815 3.686 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000182029643 1120312038 /nfs/dbraw/zinc/31/20/38/1120312038.db2.gz BWTAKCKBBPKEAT-UHFFFAOYSA-N 1 2 330.815 3.686 20 0 EHADLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001648994630 1120338615 /nfs/dbraw/zinc/33/86/15/1120338615.db2.gz XVOUEKKNWCTJSM-OAHLLOKOSA-N 1 2 344.842 3.537 20 0 EHADLO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001648994630 1120338619 /nfs/dbraw/zinc/33/86/19/1120338619.db2.gz XVOUEKKNWCTJSM-OAHLLOKOSA-N 1 2 344.842 3.537 20 0 EHADLO COCC1=CC[N@H+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000481847925 1120348659 /nfs/dbraw/zinc/34/86/59/1120348659.db2.gz MTBNETIKABJLTI-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO COCC1=CC[N@@H+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000481847925 1120348663 /nfs/dbraw/zinc/34/86/63/1120348663.db2.gz MTBNETIKABJLTI-UHFFFAOYSA-N 1 2 329.469 3.974 20 0 EHADLO CC(C)n1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001203165614 1120379701 /nfs/dbraw/zinc/37/97/01/1120379701.db2.gz TXOYAUWAJGBJFD-UHFFFAOYSA-N 1 2 329.444 3.524 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000185033071 1120396818 /nfs/dbraw/zinc/39/68/18/1120396818.db2.gz VMCURQXBFHVMIJ-NRFANRHFSA-N 1 2 348.446 3.943 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000185585578 1120420539 /nfs/dbraw/zinc/42/05/39/1120420539.db2.gz DNXCBKLFYHLADI-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000185585578 1120420543 /nfs/dbraw/zinc/42/05/43/1120420543.db2.gz DNXCBKLFYHLADI-LBPRGKRZSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)CCn1cccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000185609856 1120421470 /nfs/dbraw/zinc/42/14/70/1120421470.db2.gz YWDUSUPZDOZDIG-KRWDZBQOSA-N 1 2 346.544 3.870 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1csc(Cl)c1 ZINC000189037899 1120527159 /nfs/dbraw/zinc/52/71/59/1120527159.db2.gz URCJLEQLWYGZQX-UHFFFAOYSA-N 1 2 345.855 3.619 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cccnc2OCC(F)(F)F)n1 ZINC000494308154 1120530169 /nfs/dbraw/zinc/53/01/69/1120530169.db2.gz GZNVWGCCVYYTSQ-UHFFFAOYSA-N 1 2 345.390 3.722 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c[nH+]1 ZINC000494337650 1120532701 /nfs/dbraw/zinc/53/27/01/1120532701.db2.gz YYUIGJDNPPRXDY-UHFFFAOYSA-N 1 2 341.411 3.720 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000542482533 1120552944 /nfs/dbraw/zinc/55/29/44/1120552944.db2.gz VOLIPFRHZCGUSH-AWEZNQCLSA-N 1 2 345.512 3.605 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000191371924 1120670742 /nfs/dbraw/zinc/67/07/42/1120670742.db2.gz AIZYBDPHPAJMMB-OAQYLSRUSA-N 1 2 339.435 3.755 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000191371924 1120670744 /nfs/dbraw/zinc/67/07/44/1120670744.db2.gz AIZYBDPHPAJMMB-OAQYLSRUSA-N 1 2 339.435 3.755 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CC4(CCOCC4)c4ccccc43)n2c1 ZINC000191620835 1120682361 /nfs/dbraw/zinc/68/23/61/1120682361.db2.gz SQDGAZOGZIMHMH-UHFFFAOYSA-N 1 2 333.435 3.711 20 0 EHADLO c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494661765 1120714823 /nfs/dbraw/zinc/71/48/23/1120714823.db2.gz PVUYOECHTOGYQX-SFHVURJKSA-N 1 2 343.496 3.700 20 0 EHADLO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494661765 1120714825 /nfs/dbraw/zinc/71/48/25/1120714825.db2.gz PVUYOECHTOGYQX-SFHVURJKSA-N 1 2 343.496 3.700 20 0 EHADLO COc1cccc(C)c1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000192946588 1120754104 /nfs/dbraw/zinc/75/41/04/1120754104.db2.gz RAPQZBNKIKVKDP-DHZHZOJOSA-N 1 2 333.391 3.841 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193971284 1120812742 /nfs/dbraw/zinc/81/27/42/1120812742.db2.gz NNBQXLRZFPVLDY-VQIMIIECSA-N 1 2 340.471 3.652 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@H](c1nc[nH]n1)C1CCCCC1)c1ccco1 ZINC000494875754 1120890284 /nfs/dbraw/zinc/89/02/84/1120890284.db2.gz CIUMFMIZHXDLGZ-AEFFLSMTSA-N 1 2 345.491 3.692 20 0 EHADLO CCN(CC)[C@H](C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1ccco1 ZINC000494875754 1120890288 /nfs/dbraw/zinc/89/02/88/1120890288.db2.gz CIUMFMIZHXDLGZ-AEFFLSMTSA-N 1 2 345.491 3.692 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000494923987 1120906439 /nfs/dbraw/zinc/90/64/39/1120906439.db2.gz RXXBTBBJARIMSV-INIZCTEOSA-N 1 2 338.879 3.572 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000494923987 1120906443 /nfs/dbraw/zinc/90/64/43/1120906443.db2.gz RXXBTBBJARIMSV-INIZCTEOSA-N 1 2 338.879 3.572 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCO1 ZINC000494977546 1120925795 /nfs/dbraw/zinc/92/57/95/1120925795.db2.gz SGYSOSXDXXYAEO-SQNIBIBYSA-N 1 2 334.508 4.000 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c(=O)c2ccccc12 ZINC000153274061 1120933305 /nfs/dbraw/zinc/93/33/05/1120933305.db2.gz UUDNSWWIDSXWSH-MRXNPFEDSA-N 1 2 327.472 3.811 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)c(=O)c2ccccc12 ZINC000153274061 1120933310 /nfs/dbraw/zinc/93/33/10/1120933310.db2.gz UUDNSWWIDSXWSH-MRXNPFEDSA-N 1 2 327.472 3.811 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000153284188 1120936596 /nfs/dbraw/zinc/93/65/96/1120936596.db2.gz QGDAQACETNLMAY-GFCCVEGCSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000153284188 1120936599 /nfs/dbraw/zinc/93/65/99/1120936599.db2.gz QGDAQACETNLMAY-GFCCVEGCSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000153294071 1120942615 /nfs/dbraw/zinc/94/26/15/1120942615.db2.gz BEMUMMXNFCUMIN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000153294071 1120942616 /nfs/dbraw/zinc/94/26/16/1120942616.db2.gz BEMUMMXNFCUMIN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO COc1ccc(C[C@H](C)C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000495066191 1120943168 /nfs/dbraw/zinc/94/31/68/1120943168.db2.gz LCDYKDRDVQQDEK-KXBFYZLASA-N 1 2 342.487 3.903 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)o1 ZINC000495070562 1120944415 /nfs/dbraw/zinc/94/44/15/1120944415.db2.gz YRUCQQIWHWYITO-NSHDSACASA-N 1 2 332.404 3.576 20 0 EHADLO Clc1csc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000495081140 1120948075 /nfs/dbraw/zinc/94/80/75/1120948075.db2.gz SYWVVUBCOKAJTG-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153316811 1120957381 /nfs/dbraw/zinc/95/73/81/1120957381.db2.gz PEKCAIJSCFDSLD-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153316811 1120957384 /nfs/dbraw/zinc/95/73/84/1120957384.db2.gz PEKCAIJSCFDSLD-HNNXBMFYSA-N 1 2 329.419 3.519 20 0 EHADLO CCc1cnc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC000495171614 1120978393 /nfs/dbraw/zinc/97/83/93/1120978393.db2.gz FVYJDHWHEBEUMI-UHFFFAOYSA-N 1 2 339.505 3.537 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCn3cc[nH+]c3)cc2C1 ZINC000301197639 1121051886 /nfs/dbraw/zinc/05/18/86/1121051886.db2.gz MDVKNJCYGLKOQK-OAHLLOKOSA-N 1 2 345.512 3.916 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1nnc2ccccn21 ZINC000495385346 1121152712 /nfs/dbraw/zinc/15/27/12/1121152712.db2.gz KUGSCMIQUOJCLY-IBGZPJMESA-N 1 2 347.422 3.871 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000303634776 1121167548 /nfs/dbraw/zinc/16/75/48/1121167548.db2.gz PJURXIMRIYFSGB-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000303634776 1121167553 /nfs/dbraw/zinc/16/75/53/1121167553.db2.gz PJURXIMRIYFSGB-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000303684363 1121172837 /nfs/dbraw/zinc/17/28/37/1121172837.db2.gz SVCLZLSHGYTFKQ-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000303684363 1121172840 /nfs/dbraw/zinc/17/28/40/1121172840.db2.gz SVCLZLSHGYTFKQ-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO CC(C)[N@H+](CC1CC1)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000915207848 1121251877 /nfs/dbraw/zinc/25/18/77/1121251877.db2.gz GXZIQWKIPNTKFQ-UHFFFAOYSA-N 1 2 337.880 3.530 20 0 EHADLO CC(C)[N@@H+](CC1CC1)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000915207848 1121251881 /nfs/dbraw/zinc/25/18/81/1121251881.db2.gz GXZIQWKIPNTKFQ-UHFFFAOYSA-N 1 2 337.880 3.530 20 0 EHADLO CSCc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=S)o1 ZINC000915209639 1121252842 /nfs/dbraw/zinc/25/28/42/1121252842.db2.gz LUKLXDYQVORTRO-YNEHKIRRSA-N 1 2 327.519 3.927 20 0 EHADLO CSCc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=S)o1 ZINC000915209639 1121252846 /nfs/dbraw/zinc/25/28/46/1121252846.db2.gz LUKLXDYQVORTRO-YNEHKIRRSA-N 1 2 327.519 3.927 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 ZINC000915209947 1121254610 /nfs/dbraw/zinc/25/46/10/1121254610.db2.gz QWIFKLGSCPIBLA-GMBSWORKSA-N 1 2 325.456 3.563 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 ZINC000915209947 1121254614 /nfs/dbraw/zinc/25/46/14/1121254614.db2.gz QWIFKLGSCPIBLA-GMBSWORKSA-N 1 2 325.456 3.563 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)C[C@H]1CCC2(CCCCCC2)O1 ZINC000929258884 1128974220 /nfs/dbraw/zinc/97/42/20/1128974220.db2.gz IOJLYQDHSDXUEP-CQSZACIVSA-N 1 2 327.419 3.982 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)C[C@H]1CCC2(CCCCCC2)O1 ZINC000929258884 1128974224 /nfs/dbraw/zinc/97/42/24/1128974224.db2.gz IOJLYQDHSDXUEP-CQSZACIVSA-N 1 2 327.419 3.982 20 0 EHADLO C[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1cccc(O)c1 ZINC000495582449 1121290076 /nfs/dbraw/zinc/29/00/76/1121290076.db2.gz HUPAHVJDMZSYHY-UHFFFAOYSA-N 1 2 349.456 3.828 20 0 EHADLO C[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1cccc(O)c1 ZINC000495582449 1121290084 /nfs/dbraw/zinc/29/00/84/1121290084.db2.gz HUPAHVJDMZSYHY-UHFFFAOYSA-N 1 2 349.456 3.828 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762563949 1121355331 /nfs/dbraw/zinc/35/53/31/1121355331.db2.gz YRXWOJOGBBMWKU-QWGSZXSUSA-N 1 2 349.434 3.841 20 0 EHADLO Cc1ccc(Oc2ccccc2)c(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000350173366 1121459808 /nfs/dbraw/zinc/45/98/08/1121459808.db2.gz BKYXATONYVFFDZ-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)cn1 ZINC000542573337 1121501120 /nfs/dbraw/zinc/50/11/20/1121501120.db2.gz HVGVJMWWRSNENZ-NWDGAFQWSA-N 1 2 331.445 3.987 20 0 EHADLO O=C(CSC1CCCCC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000077211232 1128999368 /nfs/dbraw/zinc/99/93/68/1128999368.db2.gz JYHVLVXICQVAIE-UHFFFAOYSA-N 1 2 339.530 3.743 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000194296044 1121839948 /nfs/dbraw/zinc/83/99/48/1121839948.db2.gz WHMBIXJRDJJRAH-FQEVSTJZSA-N 1 2 348.450 3.556 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)CCc2ccccc2)cs1 ZINC000347469965 1121903555 /nfs/dbraw/zinc/90/35/55/1121903555.db2.gz UXDYSYUZGAQCSZ-YJBOKZPZSA-N 1 2 348.512 3.666 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CCc2ccccc2)cs1 ZINC000347469965 1121903560 /nfs/dbraw/zinc/90/35/60/1121903560.db2.gz UXDYSYUZGAQCSZ-YJBOKZPZSA-N 1 2 348.512 3.666 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000763288355 1121943447 /nfs/dbraw/zinc/94/34/47/1121943447.db2.gz SXHZOQSWWMTOST-UHFFFAOYSA-N 1 2 336.391 3.709 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)OCCCn1cc[nH+]c1 ZINC000763295230 1121947461 /nfs/dbraw/zinc/94/74/61/1121947461.db2.gz ZRRNWKGASBYSGY-UHFFFAOYSA-N 1 2 333.438 3.624 20 0 EHADLO C[C@@H]1[C@@H]([NH2+]Cc2cccc(O)c2Cl)CCN1Cc1ccccc1 ZINC000328200203 1122069196 /nfs/dbraw/zinc/06/91/96/1122069196.db2.gz FYYSCQACMRZJCJ-PBHICJAKSA-N 1 2 330.859 3.798 20 0 EHADLO CC[C@@H]1C[C@H](CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496441833 1122083907 /nfs/dbraw/zinc/08/39/07/1122083907.db2.gz WUUYJVPEWFKBMR-GDBMZVCRSA-N 1 2 349.475 3.723 20 0 EHADLO CC[C@H]1C[C@@H](CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496441835 1122083927 /nfs/dbraw/zinc/08/39/27/1122083927.db2.gz WUUYJVPEWFKBMR-HOCLYGCPSA-N 1 2 349.475 3.723 20 0 EHADLO C[C@H](C(=O)[C@H](C#N)c1ccccn1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000153888802 1122088195 /nfs/dbraw/zinc/08/81/95/1122088195.db2.gz PFHQHWPRRLSKID-YLJYHZDGSA-N 1 2 347.462 3.601 20 0 EHADLO CCc1nc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)cs1 ZINC000496459271 1122089469 /nfs/dbraw/zinc/08/94/69/1122089469.db2.gz ZTJHSCKFLVZBSQ-UHFFFAOYSA-N 1 2 348.472 3.737 20 0 EHADLO CC(C)(NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000499576722 1129033801 /nfs/dbraw/zinc/03/38/01/1129033801.db2.gz XWQWZVPOWMEMBD-UHFFFAOYSA-N 1 2 342.830 3.722 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000153986577 1122157608 /nfs/dbraw/zinc/15/76/08/1122157608.db2.gz OHUFCGWRBRLZSI-HNNXBMFYSA-N 1 2 345.468 3.521 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000153986577 1122157610 /nfs/dbraw/zinc/15/76/10/1122157610.db2.gz OHUFCGWRBRLZSI-HNNXBMFYSA-N 1 2 345.468 3.521 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000110668246 1129038765 /nfs/dbraw/zinc/03/87/65/1129038765.db2.gz ZDPHNCVPSFMDKH-UHFFFAOYSA-N 1 2 339.826 3.713 20 0 EHADLO CC(C)c1cccnc1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901186295 1122235469 /nfs/dbraw/zinc/23/54/69/1122235469.db2.gz LRWHSJUBGOZFAU-UHFFFAOYSA-N 1 2 349.438 3.766 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cn(-c2ccccc2)nn1 ZINC000154117510 1122242985 /nfs/dbraw/zinc/24/29/85/1122242985.db2.gz BIWGRBJFSIEHDH-CYBMUJFWSA-N 1 2 341.484 3.872 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1csnn1 ZINC000497055874 1122253723 /nfs/dbraw/zinc/25/37/23/1122253723.db2.gz JMABRQYUEYUXLH-NSHDSACASA-N 1 2 334.445 3.736 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000125586558 1122321229 /nfs/dbraw/zinc/32/12/29/1122321229.db2.gz DJGVRGBFLPNNQY-HXUWFJFHSA-N 1 2 327.424 3.755 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000125586558 1122321234 /nfs/dbraw/zinc/32/12/34/1122321234.db2.gz DJGVRGBFLPNNQY-HXUWFJFHSA-N 1 2 327.424 3.755 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000126297580 1122400269 /nfs/dbraw/zinc/40/02/69/1122400269.db2.gz PSUMJXKDPNTWRL-FUHWJXTLSA-N 1 2 344.499 3.982 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cccc(C)c2Br)c1Cl ZINC000922041470 1129054573 /nfs/dbraw/zinc/05/45/73/1129054573.db2.gz KZRZGHACPZWIHW-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000917040904 1122444234 /nfs/dbraw/zinc/44/42/34/1122444234.db2.gz XMHJEMQSDSTTID-AWEZNQCLSA-N 1 2 342.405 3.653 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000917040904 1122444237 /nfs/dbraw/zinc/44/42/37/1122444237.db2.gz XMHJEMQSDSTTID-AWEZNQCLSA-N 1 2 342.405 3.653 20 0 EHADLO COCCCOc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000127475195 1122488177 /nfs/dbraw/zinc/48/81/77/1122488177.db2.gz JUZNDSONMZLXJN-UHFFFAOYSA-N 1 2 327.428 3.690 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000067462760 1122515871 /nfs/dbraw/zinc/51/58/71/1122515871.db2.gz GZWZPFNMQQIEPA-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000067462760 1122515874 /nfs/dbraw/zinc/51/58/74/1122515874.db2.gz GZWZPFNMQQIEPA-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCC1 ZINC000067645786 1122525635 /nfs/dbraw/zinc/52/56/35/1122525635.db2.gz PLPXPSSPCFINES-UHFFFAOYSA-N 1 2 344.434 3.876 20 0 EHADLO O=C(NC1CCCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128276575 1122548621 /nfs/dbraw/zinc/54/86/21/1122548621.db2.gz XJIHKWLGTLRIAF-RBUKOAKNSA-N 1 2 338.455 3.744 20 0 EHADLO CC(C)[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000497547530 1122581957 /nfs/dbraw/zinc/58/19/57/1122581957.db2.gz OUNRZUNUMVHJMA-AWEZNQCLSA-N 1 2 343.496 3.932 20 0 EHADLO CC(C)[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000497547530 1122581960 /nfs/dbraw/zinc/58/19/60/1122581960.db2.gz OUNRZUNUMVHJMA-AWEZNQCLSA-N 1 2 343.496 3.932 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1csc(Br)c1 ZINC000917392647 1122590845 /nfs/dbraw/zinc/59/08/45/1122590845.db2.gz IPNPZHKPFUFPOY-UHFFFAOYSA-N 1 2 325.231 3.866 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2ccccc2)oc1=O)c1ccccc1 ZINC000917431363 1122607110 /nfs/dbraw/zinc/60/71/10/1122607110.db2.gz DADLIESVKSUWFX-KRWDZBQOSA-N 1 2 337.423 3.838 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128759741 1122662484 /nfs/dbraw/zinc/66/24/84/1122662484.db2.gz FNGQROLCEGYCGG-HNNXBMFYSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128759741 1122662487 /nfs/dbraw/zinc/66/24/87/1122662487.db2.gz FNGQROLCEGYCGG-HNNXBMFYSA-N 1 2 344.842 3.740 20 0 EHADLO COc1ccc2oc(C)c(C(=O)NNc3cc[nH+]cc3Cl)c2c1 ZINC000154583130 1122719921 /nfs/dbraw/zinc/71/99/21/1122719921.db2.gz OMDTXOILHMVLKU-UHFFFAOYSA-N 1 2 331.759 3.555 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069068415 1122750337 /nfs/dbraw/zinc/75/03/37/1122750337.db2.gz VGMCPZLFHXNCLV-INIZCTEOSA-N 1 2 341.455 3.820 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069068415 1122750342 /nfs/dbraw/zinc/75/03/42/1122750342.db2.gz VGMCPZLFHXNCLV-INIZCTEOSA-N 1 2 341.455 3.820 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000918184064 1122772874 /nfs/dbraw/zinc/77/28/74/1122772874.db2.gz WRMPSHNNHHINTQ-UHFFFAOYSA-N 1 2 346.814 3.742 20 0 EHADLO FC(F)(F)CN1CCC[N@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000129448430 1122782072 /nfs/dbraw/zinc/78/20/72/1122782072.db2.gz XJHDOTMSYJUXFB-UHFFFAOYSA-N 1 2 347.450 3.871 20 0 EHADLO FC(F)(F)CN1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000129448430 1122782077 /nfs/dbraw/zinc/78/20/77/1122782077.db2.gz XJHDOTMSYJUXFB-UHFFFAOYSA-N 1 2 347.450 3.871 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C ZINC000918563875 1122849365 /nfs/dbraw/zinc/84/93/65/1122849365.db2.gz ZPVQREAJLNKPNG-FPLPWBNLSA-N 1 2 337.467 3.517 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(F)c3Cl)[nH+]c12 ZINC000672848331 1129084299 /nfs/dbraw/zinc/08/42/99/1129084299.db2.gz KLYSITJQAGPURX-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO CC1(C)CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000466008541 1129084410 /nfs/dbraw/zinc/08/44/10/1129084410.db2.gz XQGXCIHTRVYNIO-UHFFFAOYSA-N 1 2 335.517 3.544 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)CC12CCCCC2 ZINC000498911195 1123108273 /nfs/dbraw/zinc/10/82/73/1123108273.db2.gz IASUSQKTANSKBO-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)CC12CCCCC2 ZINC000498911195 1123108275 /nfs/dbraw/zinc/10/82/75/1123108275.db2.gz IASUSQKTANSKBO-AWEZNQCLSA-N 1 2 336.426 3.893 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000498924784 1123115821 /nfs/dbraw/zinc/11/58/21/1123115821.db2.gz PMSFOQCODRJFTP-QGZVFWFLSA-N 1 2 333.435 3.773 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000131481701 1123119379 /nfs/dbraw/zinc/11/93/79/1123119379.db2.gz CNTLWNSJYBBHDD-PXNSSMCTSA-N 1 2 345.446 3.962 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649213222 1123120641 /nfs/dbraw/zinc/12/06/41/1123120641.db2.gz JMYHISXSWCPEAW-LZWOXQAQSA-N 1 2 345.874 3.750 20 0 EHADLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1CC(=O)Nc1nccs1 ZINC000556865378 1123154153 /nfs/dbraw/zinc/15/41/53/1123154153.db2.gz LNBDPXQTKGZRLF-DZGCQCFKSA-N 1 2 345.468 3.563 20 0 EHADLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1CC(=O)Nc1nccs1 ZINC000556865378 1123154155 /nfs/dbraw/zinc/15/41/55/1123154155.db2.gz LNBDPXQTKGZRLF-DZGCQCFKSA-N 1 2 345.468 3.563 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499058167 1123177745 /nfs/dbraw/zinc/17/77/45/1123177745.db2.gz XOSFXVILUMQPMN-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499058167 1123177747 /nfs/dbraw/zinc/17/77/47/1123177747.db2.gz XOSFXVILUMQPMN-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132093663 1123200920 /nfs/dbraw/zinc/20/09/20/1123200920.db2.gz KZSUXVDSPKQUAY-MRXNPFEDSA-N 1 2 344.434 3.732 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)o1 ZINC000073895024 1123228726 /nfs/dbraw/zinc/22/87/26/1123228726.db2.gz QEQAHHIIYZFGDH-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)o1 ZINC000073895024 1123228729 /nfs/dbraw/zinc/22/87/29/1123228729.db2.gz QEQAHHIIYZFGDH-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000133049391 1123334273 /nfs/dbraw/zinc/33/42/73/1123334273.db2.gz JCESUNVIJUCUTO-RLLQIKCJSA-N 1 2 337.467 3.630 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCc1c(F)cccc1Cl)C2 ZINC000609313628 1123348272 /nfs/dbraw/zinc/34/82/72/1123348272.db2.gz HAYCSDYSBQWBEV-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCc1c(F)cccc1Cl)C2 ZINC000609313628 1123348274 /nfs/dbraw/zinc/34/82/74/1123348274.db2.gz HAYCSDYSBQWBEV-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO Brc1cscc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000352865052 1123358358 /nfs/dbraw/zinc/35/83/58/1123358358.db2.gz DEEVGZQGMUVVNU-UHFFFAOYSA-N 1 2 336.258 3.719 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000075408571 1123395139 /nfs/dbraw/zinc/39/51/39/1123395139.db2.gz WFWZBRLENSIONG-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000075833143 1123428953 /nfs/dbraw/zinc/42/89/53/1123428953.db2.gz JATJKXGGQMPKLY-LJQANCHMSA-N 1 2 331.410 3.629 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000075833143 1123428956 /nfs/dbraw/zinc/42/89/56/1123428956.db2.gz JATJKXGGQMPKLY-LJQANCHMSA-N 1 2 331.410 3.629 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868249 1123434708 /nfs/dbraw/zinc/43/47/08/1123434708.db2.gz MIPWHMLPGWCYNV-CABCVRRESA-N 1 2 326.440 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868249 1123434713 /nfs/dbraw/zinc/43/47/13/1123434713.db2.gz MIPWHMLPGWCYNV-CABCVRRESA-N 1 2 326.440 3.666 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)C3 ZINC000920901465 1123439083 /nfs/dbraw/zinc/43/90/83/1123439083.db2.gz NNRLKTXWNLNELR-UHFFFAOYSA-N 1 2 349.434 3.695 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920994624 1123445715 /nfs/dbraw/zinc/44/57/15/1123445715.db2.gz RETYKPOWYYOWOW-CVEARBPZSA-N 1 2 338.565 3.978 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543026944 1129123045 /nfs/dbraw/zinc/12/30/45/1129123045.db2.gz PSQULHZXRYROMO-HOCLYGCPSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543026944 1129123047 /nfs/dbraw/zinc/12/30/47/1129123047.db2.gz PSQULHZXRYROMO-HOCLYGCPSA-N 1 2 342.405 3.792 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000921151932 1123473084 /nfs/dbraw/zinc/47/30/84/1123473084.db2.gz DQJDNUAGGPXKCF-UHFFFAOYSA-N 1 2 349.409 3.750 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000921205078 1123487952 /nfs/dbraw/zinc/48/79/52/1123487952.db2.gz ODSGHVOPXKSIQO-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO Cc1nc2ccccc2nc1C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000638557457 1123519823 /nfs/dbraw/zinc/51/98/23/1123519823.db2.gz QFSXMGNQMIFGCL-UHFFFAOYSA-N 1 2 326.469 3.982 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000174956117 1123561699 /nfs/dbraw/zinc/56/16/99/1123561699.db2.gz FNYKNVIBCHZOJJ-QWHCGFSZSA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000174956117 1123561701 /nfs/dbraw/zinc/56/17/01/1123561701.db2.gz FNYKNVIBCHZOJJ-QWHCGFSZSA-N 1 2 332.473 3.621 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000638571860 1123575799 /nfs/dbraw/zinc/57/57/99/1123575799.db2.gz QGKYCWRWXDMWCP-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(F)(F)F)nc1 ZINC000077763371 1123579177 /nfs/dbraw/zinc/57/91/77/1123579177.db2.gz WQFYHTCDZNVBEL-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Clc1ccc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)o1 ZINC000350452767 1123597784 /nfs/dbraw/zinc/59/77/84/1123597784.db2.gz PZNBAVBVNWNGRV-UHFFFAOYSA-N 1 2 340.770 3.819 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265378 1123644046 /nfs/dbraw/zinc/64/40/46/1123644046.db2.gz QRWDVKXFVLDACJ-TZMCWYRMSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265378 1123644051 /nfs/dbraw/zinc/64/40/51/1123644051.db2.gz QRWDVKXFVLDACJ-TZMCWYRMSA-N 1 2 334.514 3.576 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000136155375 1123672738 /nfs/dbraw/zinc/67/27/38/1123672738.db2.gz SYADFRGXDAPRNR-INIZCTEOSA-N 1 2 329.469 3.571 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000079853375 1123727517 /nfs/dbraw/zinc/72/75/17/1123727517.db2.gz JNZDGPRJIKTBSI-UHFFFAOYSA-N 1 2 328.890 3.520 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000079853375 1123727522 /nfs/dbraw/zinc/72/75/22/1123727522.db2.gz JNZDGPRJIKTBSI-UHFFFAOYSA-N 1 2 328.890 3.520 20 0 EHADLO COc1cc2c(c(C[NH2+]C(C)(C)c3ncc(C)s3)c1)O[C@@H](C)C2 ZINC000080346298 1123751402 /nfs/dbraw/zinc/75/14/02/1123751402.db2.gz HIOMALRMVIFATC-NSHDSACASA-N 1 2 332.469 3.808 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080468789 1123755626 /nfs/dbraw/zinc/75/56/26/1123755626.db2.gz AMQLRJXFBOGSSY-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080468789 1123755629 /nfs/dbraw/zinc/75/56/29/1123755629.db2.gz AMQLRJXFBOGSSY-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)NCCCn2cc[nH+]c2)c1C ZINC000080630089 1123759542 /nfs/dbraw/zinc/75/95/42/1123759542.db2.gz JCQPQLVSYCQXEK-IBGZPJMESA-N 1 2 340.471 3.827 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cscc1Br)[NH+]1CCCCC1 ZINC000615729259 1123864442 /nfs/dbraw/zinc/86/44/42/1123864442.db2.gz BQKUXBLJTQFOMK-CYBMUJFWSA-N 1 2 345.306 3.960 20 0 EHADLO O=C(NCC(C1CC1)C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543043672 1129152993 /nfs/dbraw/zinc/15/29/93/1129152993.db2.gz HLMHAKTZIITYNK-UHFFFAOYSA-N 1 2 344.503 3.521 20 0 EHADLO CCOCC[N@H+](C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000179878968 1123885894 /nfs/dbraw/zinc/88/58/94/1123885894.db2.gz GDNYCXURABPPDW-UHFFFAOYSA-N 1 2 328.787 3.816 20 0 EHADLO CCOCC[N@@H+](C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000179878968 1123885899 /nfs/dbraw/zinc/88/58/99/1123885899.db2.gz GDNYCXURABPPDW-UHFFFAOYSA-N 1 2 328.787 3.816 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(SC(F)F)cc1 ZINC000068254422 1123894381 /nfs/dbraw/zinc/89/43/81/1123894381.db2.gz BYPJQDLNJGBZMG-UHFFFAOYSA-N 1 2 348.418 3.747 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180062789 1123935124 /nfs/dbraw/zinc/93/51/24/1123935124.db2.gz IZCXXLZYHUKVGL-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180062789 1123935128 /nfs/dbraw/zinc/93/51/28/1123935128.db2.gz IZCXXLZYHUKVGL-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000245923263 1123980824 /nfs/dbraw/zinc/98/08/24/1123980824.db2.gz XCOIFZPZFMSHBA-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000245923263 1123980828 /nfs/dbraw/zinc/98/08/28/1123980828.db2.gz XCOIFZPZFMSHBA-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ncsc1CC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000180540753 1124023949 /nfs/dbraw/zinc/02/39/49/1124023949.db2.gz USNLWDKSSDWWKC-QGZVFWFLSA-N 1 2 346.496 3.742 20 0 EHADLO Cc1[nH+]c(NCc2nc(C(C)(C)C)co2)ccc1-c1cnn(C)c1 ZINC000922150837 1129162912 /nfs/dbraw/zinc/16/29/12/1129162912.db2.gz VGSXBQMZKGWEPD-UHFFFAOYSA-N 1 2 325.416 3.688 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000180777031 1124070789 /nfs/dbraw/zinc/07/07/89/1124070789.db2.gz TZWNWACFHBNVFK-AWEZNQCLSA-N 1 2 349.390 3.749 20 0 EHADLO C[C@@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C(C)(C)C ZINC000734534732 1131248504 /nfs/dbraw/zinc/24/85/04/1131248504.db2.gz OPOGFAWWDKIKKH-MZEUMTGBSA-N 1 2 343.515 3.709 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000069246666 1124578801 /nfs/dbraw/zinc/57/88/01/1124578801.db2.gz IBBANPXWEXDZKG-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000069246666 1124578805 /nfs/dbraw/zinc/57/88/05/1124578805.db2.gz IBBANPXWEXDZKG-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO CCC[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OCC ZINC000247435446 1124611493 /nfs/dbraw/zinc/61/14/93/1124611493.db2.gz MPYDKKJWKPAQOL-QYZOEREBSA-N 1 2 333.472 3.784 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248654090 1124685204 /nfs/dbraw/zinc/68/52/04/1124685204.db2.gz CGDHSPLWQJTBHX-BRWVUGGUSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC001127622371 1124697488 /nfs/dbraw/zinc/69/74/88/1124697488.db2.gz AIBYULOKAYKLOB-MRXNPFEDSA-N 1 2 343.858 3.669 20 0 EHADLO C[C@@H]1CC(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000617664732 1124715163 /nfs/dbraw/zinc/71/51/63/1124715163.db2.gz OUYFMQBXXNGSBJ-HOTGVXAUSA-N 1 2 325.456 3.734 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC1 ZINC000249398695 1124755204 /nfs/dbraw/zinc/75/52/04/1124755204.db2.gz UJBNUDCPMFVIJI-UAPYVXQJSA-N 1 2 344.499 3.982 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000735070913 1131306834 /nfs/dbraw/zinc/30/68/34/1131306834.db2.gz TWEFUYOZKROUNH-APWZRJJASA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1=O ZINC000735070913 1131306838 /nfs/dbraw/zinc/30/68/38/1131306838.db2.gz TWEFUYOZKROUNH-APWZRJJASA-N 1 2 348.874 3.856 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(N(C)C)c3)n2)cc1 ZINC000089923149 1124873670 /nfs/dbraw/zinc/87/36/70/1124873670.db2.gz UEYPLIFGYBBAEW-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)Cc3cccc(N(C)C)c3)n2)cc1 ZINC000089923149 1124873674 /nfs/dbraw/zinc/87/36/74/1124873674.db2.gz UEYPLIFGYBBAEW-UHFFFAOYSA-N 1 2 336.439 3.743 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C ZINC000091591953 1124990116 /nfs/dbraw/zinc/99/01/16/1124990116.db2.gz MFRFFJKMIPFHAT-FOIQADDNSA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C ZINC000091591953 1124990124 /nfs/dbraw/zinc/99/01/24/1124990124.db2.gz MFRFFJKMIPFHAT-FOIQADDNSA-N 1 2 343.423 3.683 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263647422 1125017732 /nfs/dbraw/zinc/01/77/32/1125017732.db2.gz BUXXXYWNUFESJJ-UHFFFAOYSA-N 1 2 345.472 3.547 20 0 EHADLO CC[N@H+](Cc1cnc(C2CC2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362520 1125236875 /nfs/dbraw/zinc/23/68/75/1125236875.db2.gz BSYLYONNPRLRHH-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO CC[N@@H+](Cc1cnc(C2CC2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362520 1125236878 /nfs/dbraw/zinc/23/68/78/1125236878.db2.gz BSYLYONNPRLRHH-KRWDZBQOSA-N 1 2 341.480 3.648 20 0 EHADLO C[C@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc2C1(C)C ZINC000619018131 1125266260 /nfs/dbraw/zinc/26/62/60/1125266260.db2.gz BHPWGYSLGXUCNA-CQSZACIVSA-N 1 2 332.407 3.594 20 0 EHADLO O=C(NC1CCC2(CC2(F)F)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000619228525 1125321030 /nfs/dbraw/zinc/32/10/30/1125321030.db2.gz VAGOKXDAHMNUHT-UHFFFAOYSA-N 1 2 345.393 3.629 20 0 EHADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763542986 1125330532 /nfs/dbraw/zinc/33/05/32/1125330532.db2.gz IAWMNOFADWSGMM-SFKKXYGYSA-N 1 2 333.303 3.809 20 0 EHADLO CC1(C)CN(C(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000619322287 1125334912 /nfs/dbraw/zinc/33/49/12/1125334912.db2.gz YXQPQJWJHVPAHR-GOSISDBHSA-N 1 2 338.455 3.676 20 0 EHADLO O=C(Cc1cc2ccccc2o1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000619523944 1125356360 /nfs/dbraw/zinc/35/63/60/1125356360.db2.gz VBIOQPUJOWGTJD-UHFFFAOYSA-N 1 2 345.402 3.537 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000735469029 1131350767 /nfs/dbraw/zinc/35/07/67/1131350767.db2.gz RMDJFLDJNCBQRV-CSHXORCISA-N 1 2 348.450 3.676 20 0 EHADLO Cc1nc(C[N@@H+]2CCOC3(C2)CCCCCC3)nc2ccccc12 ZINC000152892138 1125393742 /nfs/dbraw/zinc/39/37/42/1125393742.db2.gz BHEZDCUBKJYNNA-UHFFFAOYSA-N 1 2 325.456 3.863 20 0 EHADLO Cc1nc(C[N@H+]2CCOC3(C2)CCCCCC3)nc2ccccc12 ZINC000152892138 1125393745 /nfs/dbraw/zinc/39/37/45/1125393745.db2.gz BHEZDCUBKJYNNA-UHFFFAOYSA-N 1 2 325.456 3.863 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCCO[C@@H](CC)C1 ZINC000543075581 1129184450 /nfs/dbraw/zinc/18/44/50/1129184450.db2.gz FUQMLCWDEACMSK-HNNXBMFYSA-N 1 2 342.439 3.725 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)ccn1 ZINC000347693692 1129257310 /nfs/dbraw/zinc/25/73/10/1129257310.db2.gz YTBWQJULGREOFS-WDEREUQCSA-N 1 2 330.413 3.614 20 0 EHADLO O=C(CC1CCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000079372926 1129261014 /nfs/dbraw/zinc/26/10/14/1129261014.db2.gz ARUWQOQRDGDAAZ-UHFFFAOYSA-N 1 2 340.389 3.540 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl ZINC000068938768 1129264425 /nfs/dbraw/zinc/26/44/25/1129264425.db2.gz JGFNKUQEKFGWEB-NSHDSACASA-N 1 2 333.794 3.670 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Sc2ccccc2)c1C ZINC000499664496 1129280461 /nfs/dbraw/zinc/28/04/61/1129280461.db2.gz PPNLEPBLFLCLGZ-OAHLLOKOSA-N 1 2 344.480 3.846 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068408090 1129368856 /nfs/dbraw/zinc/36/88/56/1129368856.db2.gz RFAVZVUTQWZBGL-OAHLLOKOSA-N 1 2 341.430 3.544 20 0 EHADLO COc1ccc(C2(C(=O)Nc3ccn4cc[nH+]c4c3)CCCC2)cc1 ZINC000673435935 1129396327 /nfs/dbraw/zinc/39/63/27/1129396327.db2.gz HEYVUTZRHQRCRH-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4ccc(C)cc4)C3)ccc2[nH+]1 ZINC000543306284 1129400986 /nfs/dbraw/zinc/40/09/86/1129400986.db2.gz JGDRQHOXALEHBW-QGZVFWFLSA-N 1 2 334.423 3.973 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000543366065 1129438754 /nfs/dbraw/zinc/43/87/54/1129438754.db2.gz JIGYPUDQXWXDCH-GOSISDBHSA-N 1 2 333.435 3.510 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000117476861 1129446061 /nfs/dbraw/zinc/44/60/61/1129446061.db2.gz ZNFUOJOEYJZIPM-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348609 1129449703 /nfs/dbraw/zinc/44/97/03/1129449703.db2.gz CINVXGFXVNRAJN-MNOVXSKESA-N 1 2 347.406 3.525 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282348609 1129449704 /nfs/dbraw/zinc/44/97/04/1129449704.db2.gz CINVXGFXVNRAJN-MNOVXSKESA-N 1 2 347.406 3.525 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)[C@@H]2C[C@@H]21 ZINC001168723012 1129471508 /nfs/dbraw/zinc/47/15/08/1129471508.db2.gz XPHYTPREHPARRY-XYPHTWIQSA-N 1 2 348.874 3.501 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)[C@@H]2C[C@@H]21 ZINC001168723012 1129471512 /nfs/dbraw/zinc/47/15/12/1129471512.db2.gz XPHYTPREHPARRY-XYPHTWIQSA-N 1 2 348.874 3.501 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000118052126 1129485346 /nfs/dbraw/zinc/48/53/46/1129485346.db2.gz GGZZBVMHYMRYSY-PKOBYXMFSA-N 1 2 340.471 3.907 20 0 EHADLO O=C1CC2(CC[NH+](Cc3scnc3Cl)CC2)c2ccccc21 ZINC001137826032 1129503242 /nfs/dbraw/zinc/50/32/42/1129503242.db2.gz NYDCBTGDOJWOEC-UHFFFAOYSA-N 1 2 332.856 3.917 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2ccc[nH+]c2N)c1 ZINC000922366588 1129503897 /nfs/dbraw/zinc/50/38/97/1129503897.db2.gz MWWYLIZKPGNEPL-AWEZNQCLSA-N 1 2 328.412 3.606 20 0 EHADLO CC[C@H](C(=O)OCc1ccc(N)[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000922515328 1129559241 /nfs/dbraw/zinc/55/92/41/1129559241.db2.gz QPMZVOZPEBTQSQ-AWEZNQCLSA-N 1 2 338.329 3.920 20 0 EHADLO C[C@H]1CCC[C@@H](OCCCCCC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922575662 1129577607 /nfs/dbraw/zinc/57/76/07/1129577607.db2.gz DEAALOZWMOMWDO-DOTOQJQBSA-N 1 2 334.460 3.863 20 0 EHADLO Fc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Br ZINC000922581840 1129581514 /nfs/dbraw/zinc/58/15/14/1129581514.db2.gz KOXCWQSLTJEUEV-AWEZNQCLSA-N 1 2 336.208 3.619 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922581267 1129581534 /nfs/dbraw/zinc/58/15/34/1129581534.db2.gz SQSZOOXPLIOVGF-MRXNPFEDSA-N 1 2 339.468 3.613 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001168729182 1129587168 /nfs/dbraw/zinc/58/71/68/1129587168.db2.gz GVOFDOWVJJWMIL-SFHVURJKSA-N 1 2 344.842 3.525 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc(F)cc2C)cs1 ZINC000922664888 1129621634 /nfs/dbraw/zinc/62/16/34/1129621634.db2.gz JGLXIJVRNHWNPP-GFCCVEGCSA-N 1 2 335.448 3.814 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922686508 1129626710 /nfs/dbraw/zinc/62/67/10/1129626710.db2.gz GPJFYHMUHOLCPE-MRXNPFEDSA-N 1 2 330.476 3.802 20 0 EHADLO Cc1cnc(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c(C)c1 ZINC000922741328 1129645416 /nfs/dbraw/zinc/64/54/16/1129645416.db2.gz JGPCHTMRQMIQBX-UHFFFAOYSA-N 1 2 348.472 3.792 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(-c2cnn(C)c2)s1 ZINC000509044044 1129693229 /nfs/dbraw/zinc/69/32/29/1129693229.db2.gz BGXGVWHRUNKPPP-UHFFFAOYSA-N 1 2 337.452 3.552 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000735919528 1131391283 /nfs/dbraw/zinc/39/12/83/1131391283.db2.gz FEGMXVPERKHQDC-AWEZNQCLSA-N 1 2 335.407 3.634 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000735919528 1131391288 /nfs/dbraw/zinc/39/12/88/1131391288.db2.gz FEGMXVPERKHQDC-AWEZNQCLSA-N 1 2 335.407 3.634 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H]1C ZINC000347764009 1129702229 /nfs/dbraw/zinc/70/22/29/1129702229.db2.gz PKILVTKLEUGDCB-FMKPAKJESA-N 1 2 344.434 3.635 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673632671 1129717457 /nfs/dbraw/zinc/71/74/57/1129717457.db2.gz UMJQEEYLCDEOFZ-INIZCTEOSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673632671 1129717459 /nfs/dbraw/zinc/71/74/59/1129717459.db2.gz UMJQEEYLCDEOFZ-INIZCTEOSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(c1cccc2c1CCCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128518782 1129756515 /nfs/dbraw/zinc/75/65/15/1129756515.db2.gz BQKWNLJDNUZQGZ-GOSISDBHSA-N 1 2 336.435 3.644 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625206766 1129762307 /nfs/dbraw/zinc/76/23/07/1129762307.db2.gz GTQBCWZJLWPTII-UHFFFAOYSA-N 1 2 327.359 3.623 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NC(C1CCC1)C1CCC1 ZINC000347783646 1129768221 /nfs/dbraw/zinc/76/82/21/1129768221.db2.gz ULBNBNOQOAUEFL-UHFFFAOYSA-N 1 2 330.476 3.542 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC000673720776 1129810326 /nfs/dbraw/zinc/81/03/26/1129810326.db2.gz BPBMPMAXUVGZRW-QGZVFWFLSA-N 1 2 329.444 3.576 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000073895615 1129813172 /nfs/dbraw/zinc/81/31/72/1129813172.db2.gz IHXJLZSLEOASJX-IBGZPJMESA-N 1 2 326.444 3.594 20 0 EHADLO Brc1cnccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000625334080 1129830055 /nfs/dbraw/zinc/83/00/55/1129830055.db2.gz OTKHDLFGSMMOQQ-UHFFFAOYSA-N 1 2 329.241 3.892 20 0 EHADLO Brc1cnccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000625334080 1129830056 /nfs/dbraw/zinc/83/00/56/1129830056.db2.gz OTKHDLFGSMMOQQ-UHFFFAOYSA-N 1 2 329.241 3.892 20 0 EHADLO OC[C@]1([N@H+](Cc2ccsc2Cl)Cc2ccccc2)CCOC1 ZINC000625391656 1129854349 /nfs/dbraw/zinc/85/43/49/1129854349.db2.gz IHHXUKAFZQUPJD-QGZVFWFLSA-N 1 2 337.872 3.555 20 0 EHADLO OC[C@]1([N@@H+](Cc2ccsc2Cl)Cc2ccccc2)CCOC1 ZINC000625391656 1129854353 /nfs/dbraw/zinc/85/43/53/1129854353.db2.gz IHHXUKAFZQUPJD-QGZVFWFLSA-N 1 2 337.872 3.555 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000347823215 1129883861 /nfs/dbraw/zinc/88/38/61/1129883861.db2.gz ZRJKGEXVWWVWCM-INIZCTEOSA-N 1 2 329.362 3.838 20 0 EHADLO CCC(=O)CCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000347823215 1129883865 /nfs/dbraw/zinc/88/38/65/1129883865.db2.gz ZRJKGEXVWWVWCM-INIZCTEOSA-N 1 2 329.362 3.838 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1coc(Br)c1 ZINC000162780311 1129904826 /nfs/dbraw/zinc/90/48/26/1129904826.db2.gz YQFKEOVTZZUOOM-UHFFFAOYSA-N 1 2 332.157 3.685 20 0 EHADLO CCn1cc(C[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C(C)C)cn1 ZINC000625512482 1129912922 /nfs/dbraw/zinc/91/29/22/1129912922.db2.gz DRNWDVUNACDRNC-UHFFFAOYSA-N 1 2 342.418 3.617 20 0 EHADLO CCn1cc(C[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C(C)C)cn1 ZINC000625512482 1129912924 /nfs/dbraw/zinc/91/29/24/1129912924.db2.gz DRNWDVUNACDRNC-UHFFFAOYSA-N 1 2 342.418 3.617 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2csc(C)n2)o1 ZINC000132944561 1129924926 /nfs/dbraw/zinc/92/49/26/1129924926.db2.gz MRIQZPPCBRBZJC-UHFFFAOYSA-N 1 2 342.420 3.788 20 0 EHADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347855444 1129931864 /nfs/dbraw/zinc/93/18/64/1129931864.db2.gz APUANTYRMGDKFK-OLZOCXBDSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347855444 1129931867 /nfs/dbraw/zinc/93/18/67/1129931867.db2.gz APUANTYRMGDKFK-OLZOCXBDSA-N 1 2 339.361 3.500 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cn1 ZINC000347859202 1129936725 /nfs/dbraw/zinc/93/67/25/1129936725.db2.gz UIRUIMMLGMJRAP-HXUWFJFHSA-N 1 2 338.430 3.738 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cn1 ZINC000347859202 1129936727 /nfs/dbraw/zinc/93/67/27/1129936727.db2.gz UIRUIMMLGMJRAP-HXUWFJFHSA-N 1 2 338.430 3.738 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347866485 1129947580 /nfs/dbraw/zinc/94/75/80/1129947580.db2.gz PAVHVLSDSBCPTQ-ZDUSSCGKSA-N 1 2 337.920 3.921 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347866485 1129947582 /nfs/dbraw/zinc/94/75/82/1129947582.db2.gz PAVHVLSDSBCPTQ-ZDUSSCGKSA-N 1 2 337.920 3.921 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008668 1129955416 /nfs/dbraw/zinc/95/54/16/1129955416.db2.gz AUZPJFNNNINVAT-BEFAXECRSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008668 1129955418 /nfs/dbraw/zinc/95/54/18/1129955418.db2.gz AUZPJFNNNINVAT-BEFAXECRSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000674012139 1129958947 /nfs/dbraw/zinc/95/89/47/1129958947.db2.gz YMPQRMYDDAOEBN-GQIGUUNPSA-N 1 2 340.442 3.881 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000674012139 1129958950 /nfs/dbraw/zinc/95/89/50/1129958950.db2.gz YMPQRMYDDAOEBN-GQIGUUNPSA-N 1 2 340.442 3.881 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012998 1129959800 /nfs/dbraw/zinc/95/98/00/1129959800.db2.gz IUYBMBBABGNHTB-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012998 1129959804 /nfs/dbraw/zinc/95/98/04/1129959804.db2.gz IUYBMBBABGNHTB-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO C[C@H]1C[NH+](Cc2nc(CCc3ccccc3)no2)C[C@H](C)C1(F)F ZINC000625648241 1129965713 /nfs/dbraw/zinc/96/57/13/1129965713.db2.gz HIUFBGXRPIYBIU-KBPBESRZSA-N 1 2 335.398 3.578 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CCc2ccccc2)no1 ZINC000625682096 1129977224 /nfs/dbraw/zinc/97/72/24/1129977224.db2.gz GINJELJZKUCAKV-GASCZTMLSA-N 1 2 333.382 3.617 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CCc2ccccc2)no1 ZINC000625682096 1129977225 /nfs/dbraw/zinc/97/72/25/1129977225.db2.gz GINJELJZKUCAKV-GASCZTMLSA-N 1 2 333.382 3.617 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)NCc1ccccc1F ZINC000059390467 1129985406 /nfs/dbraw/zinc/98/54/06/1129985406.db2.gz VSAMZXYPYORUEA-GOSISDBHSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)NCc1ccccc1F ZINC000059390467 1129985408 /nfs/dbraw/zinc/98/54/08/1129985408.db2.gz VSAMZXYPYORUEA-GOSISDBHSA-N 1 2 346.833 3.932 20 0 EHADLO CCc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000059410149 1129987134 /nfs/dbraw/zinc/98/71/34/1129987134.db2.gz HQWGSARDJIOSLG-UHFFFAOYSA-N 1 2 333.435 3.650 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000059410149 1129987137 /nfs/dbraw/zinc/98/71/37/1129987137.db2.gz HQWGSARDJIOSLG-UHFFFAOYSA-N 1 2 333.435 3.650 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)C1CCCC1 ZINC000674097430 1130002776 /nfs/dbraw/zinc/00/27/76/1130002776.db2.gz BQKAIYAIRJOTQD-KRWDZBQOSA-N 1 2 343.515 3.973 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000674097736 1130003075 /nfs/dbraw/zinc/00/30/75/1130003075.db2.gz NGPOSJKWEFLZOY-CRAIPNDOSA-N 1 2 325.456 3.646 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H](C)C2CCCC2)c1)[NH+]1CCOCC1 ZINC000674107829 1130005743 /nfs/dbraw/zinc/00/57/43/1130005743.db2.gz YLDSURYURUCVOT-JKSUJKDBSA-N 1 2 330.472 3.845 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@H]3C[C@@H](C)n4ncnc43)c(C)c2c1 ZINC000658101640 1130158621 /nfs/dbraw/zinc/15/86/21/1130158621.db2.gz MIWUPIHRBUYMKQ-GMXABZIVSA-N 1 2 326.400 3.698 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674682806 1130172881 /nfs/dbraw/zinc/17/28/81/1130172881.db2.gz ARNLFUGPGRNHJW-KRWDZBQOSA-N 1 2 345.874 3.969 20 0 EHADLO Cc1cccc(-c2noc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)n2)c1 ZINC000675023144 1130241958 /nfs/dbraw/zinc/24/19/58/1130241958.db2.gz GGOBGIQTOVHJLK-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000675026739 1130242673 /nfs/dbraw/zinc/24/26/73/1130242673.db2.gz PAVRPHOASYHOPH-CQSZACIVSA-N 1 2 348.450 3.552 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ncc(Br)cc1F ZINC000187028703 1130345441 /nfs/dbraw/zinc/34/54/41/1130345441.db2.gz ALRIDYNUSWIFFA-MRVPVSSYSA-N 1 2 344.615 3.882 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001137610147 1130352941 /nfs/dbraw/zinc/35/29/41/1130352941.db2.gz DMAKVPQIRNXEJJ-NSHDSACASA-N 1 2 331.243 3.554 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001137610147 1130352948 /nfs/dbraw/zinc/35/29/48/1130352948.db2.gz DMAKVPQIRNXEJJ-NSHDSACASA-N 1 2 331.243 3.554 20 0 EHADLO Cc1nc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548957 1130426044 /nfs/dbraw/zinc/42/60/44/1130426044.db2.gz BISSPFQKRWVONN-NXEZZACHSA-N 1 2 327.272 3.579 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000675644055 1130437636 /nfs/dbraw/zinc/43/76/36/1130437636.db2.gz STTUYINCPKKVLN-KDOFPFPSSA-N 1 2 329.444 3.923 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000675644055 1130437639 /nfs/dbraw/zinc/43/76/39/1130437639.db2.gz STTUYINCPKKVLN-KDOFPFPSSA-N 1 2 329.444 3.923 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)n1 ZINC000675898582 1130498081 /nfs/dbraw/zinc/49/80/81/1130498081.db2.gz XUXVGNAAFFXHFQ-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2csc(-c3cnn(C)c3)n2)n1 ZINC000675898582 1130498084 /nfs/dbraw/zinc/49/80/84/1130498084.db2.gz XUXVGNAAFFXHFQ-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)nc(N)c2c1C ZINC000676084367 1130530041 /nfs/dbraw/zinc/53/00/41/1130530041.db2.gz RMZZUKKLGVNVGE-OAHLLOKOSA-N 1 2 340.402 3.898 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)nc(N)c2c1C ZINC000676084367 1130530044 /nfs/dbraw/zinc/53/00/44/1130530044.db2.gz RMZZUKKLGVNVGE-OAHLLOKOSA-N 1 2 340.402 3.898 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000706030413 1130550615 /nfs/dbraw/zinc/55/06/15/1130550615.db2.gz PPXPSRJQJACMBZ-KBXCAEBGSA-N 1 2 329.444 3.798 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000706002742 1130550837 /nfs/dbraw/zinc/55/08/37/1130550837.db2.gz CPNFXYCHWOWXRD-IFXJQAMLSA-N 1 2 349.434 3.557 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000536031539 1130592137 /nfs/dbraw/zinc/59/21/37/1130592137.db2.gz BZKVULONVGKLBJ-GOSISDBHSA-N 1 2 348.402 3.988 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000536031539 1130592144 /nfs/dbraw/zinc/59/21/44/1130592144.db2.gz BZKVULONVGKLBJ-GOSISDBHSA-N 1 2 348.402 3.988 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@@H+]3CCC[C@@H]3c3ccsc3)C2=O)CC1 ZINC000727818765 1130600315 /nfs/dbraw/zinc/60/03/15/1130600315.db2.gz WQIWVBIYPPFPSH-NLGTXKQRSA-N 1 2 346.496 3.798 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@H+]3CCC[C@@H]3c3ccsc3)C2=O)CC1 ZINC000727818765 1130600318 /nfs/dbraw/zinc/60/03/18/1130600318.db2.gz WQIWVBIYPPFPSH-NLGTXKQRSA-N 1 2 346.496 3.798 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727940766 1130612390 /nfs/dbraw/zinc/61/23/90/1130612390.db2.gz OBKQHRGLMIOPBT-UKRRQHHQSA-N 1 2 346.862 3.583 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCc2ccccc2)C1 ZINC000728046225 1130620571 /nfs/dbraw/zinc/62/05/71/1130620571.db2.gz UZIZMTGYYHNGKE-HNNXBMFYSA-N 1 2 330.497 3.557 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCc2ccccc2)C1 ZINC000728046225 1130620574 /nfs/dbraw/zinc/62/05/74/1130620574.db2.gz UZIZMTGYYHNGKE-HNNXBMFYSA-N 1 2 330.497 3.557 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000290460461 1130637200 /nfs/dbraw/zinc/63/72/00/1130637200.db2.gz SPJUZTQUSQMRJW-UHFFFAOYSA-N 1 2 343.456 3.649 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2OCC(C)C)c1C ZINC000731325569 1130786823 /nfs/dbraw/zinc/78/68/23/1130786823.db2.gz UYXUPJWSVUNCPL-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO C/C(=C/C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000732060935 1130881783 /nfs/dbraw/zinc/88/17/83/1130881783.db2.gz CIITVQQXZWNVSE-QXSWTLKVSA-N 1 2 329.419 3.657 20 0 EHADLO CCC/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138074 1130889531 /nfs/dbraw/zinc/88/95/31/1130889531.db2.gz LRUXUXAIUPTQPO-IEXSPKMKSA-N 1 2 338.854 3.916 20 0 EHADLO CCC/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732138074 1130889536 /nfs/dbraw/zinc/88/95/36/1130889536.db2.gz LRUXUXAIUPTQPO-IEXSPKMKSA-N 1 2 338.854 3.916 20 0 EHADLO O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000732829408 1130960760 /nfs/dbraw/zinc/96/07/60/1130960760.db2.gz OBRYXXIYQQMXRS-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732984629 1130978538 /nfs/dbraw/zinc/97/85/38/1130978538.db2.gz ACLMVZOGVXRALQ-SFHVURJKSA-N 1 2 336.426 3.749 20 0 EHADLO CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732984629 1130978541 /nfs/dbraw/zinc/97/85/41/1130978541.db2.gz ACLMVZOGVXRALQ-SFHVURJKSA-N 1 2 336.426 3.749 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732986401 1130979175 /nfs/dbraw/zinc/97/91/75/1130979175.db2.gz LGXDVASJAIPHNC-LJQANCHMSA-N 1 2 344.405 3.760 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732986401 1130979178 /nfs/dbraw/zinc/97/91/78/1130979178.db2.gz LGXDVASJAIPHNC-LJQANCHMSA-N 1 2 344.405 3.760 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(-c2cccs2)no1)c1c(C)nn(C)c1C ZINC000348049899 1131129163 /nfs/dbraw/zinc/12/91/63/1131129163.db2.gz QPVAKRMBWJPPHX-YPMHNXCESA-N 1 2 345.472 3.950 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CSCCc3ccccc32)cs1 ZINC000348045819 1131136359 /nfs/dbraw/zinc/13/63/59/1131136359.db2.gz RNCJIHXCVMWDLM-BLLLJJGKSA-N 1 2 334.510 3.971 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(Br)c1 ZINC000168800789 1131169126 /nfs/dbraw/zinc/16/91/26/1131169126.db2.gz QQMCKDMNRSIKRJ-CQSZACIVSA-N 1 2 328.250 3.613 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000168800789 1131169130 /nfs/dbraw/zinc/16/91/30/1131169130.db2.gz QQMCKDMNRSIKRJ-CQSZACIVSA-N 1 2 328.250 3.613 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000738223364 1131463824 /nfs/dbraw/zinc/46/38/24/1131463824.db2.gz IHOXLBISWRMUNK-CYBMUJFWSA-N 1 2 334.464 3.979 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000738223364 1131463826 /nfs/dbraw/zinc/46/38/26/1131463826.db2.gz IHOXLBISWRMUNK-CYBMUJFWSA-N 1 2 334.464 3.979 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCSC[C@H]1C ZINC000738337995 1131466336 /nfs/dbraw/zinc/46/63/36/1131466336.db2.gz DTDSQERFWXPMMV-CYBMUJFWSA-N 1 2 335.904 3.831 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCSC[C@H]1C ZINC000738337995 1131466338 /nfs/dbraw/zinc/46/63/38/1131466338.db2.gz DTDSQERFWXPMMV-CYBMUJFWSA-N 1 2 335.904 3.831 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C[C@H](C(C)C)CC2=O)cc1 ZINC000738244207 1131466577 /nfs/dbraw/zinc/46/65/77/1131466577.db2.gz GJBPBJIJATYIPI-QZTJIDSGSA-N 1 2 332.513 3.547 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C[C@H](C(C)C)CC2=O)cc1 ZINC000738244207 1131466579 /nfs/dbraw/zinc/46/65/79/1131466579.db2.gz GJBPBJIJATYIPI-QZTJIDSGSA-N 1 2 332.513 3.547 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)c2ccc(C)cc2)c1C ZINC000738467007 1131472449 /nfs/dbraw/zinc/47/24/49/1131472449.db2.gz GQUSPMNQKTUCJD-CQSZACIVSA-N 1 2 341.455 3.618 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)CN1C(=O)CC2(CCCCC2)C1=O ZINC000739887644 1131512793 /nfs/dbraw/zinc/51/27/93/1131512793.db2.gz ILRGZGPWULDMIL-KRWDZBQOSA-N 1 2 343.471 3.522 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1C(=O)CC2(CCCCC2)C1=O ZINC000739887644 1131512796 /nfs/dbraw/zinc/51/27/96/1131512796.db2.gz ILRGZGPWULDMIL-KRWDZBQOSA-N 1 2 343.471 3.522 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=S)o1 ZINC000740861185 1131549195 /nfs/dbraw/zinc/54/91/95/1131549195.db2.gz LTGHRDDVGSPXJK-QWHCGFSZSA-N 1 2 333.457 3.959 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=S)o1 ZINC000740861185 1131549197 /nfs/dbraw/zinc/54/91/97/1131549197.db2.gz LTGHRDDVGSPXJK-QWHCGFSZSA-N 1 2 333.457 3.959 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)cc1 ZINC000740860475 1131549707 /nfs/dbraw/zinc/54/97/07/1131549707.db2.gz FFSHPLJSBMVIDD-KGLIPLIRSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3C[C@H](C)C[C@@H]3C)c(=S)o2)cc1 ZINC000740860475 1131549712 /nfs/dbraw/zinc/54/97/12/1131549712.db2.gz FFSHPLJSBMVIDD-KGLIPLIRSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860917 1131554212 /nfs/dbraw/zinc/55/42/12/1131554212.db2.gz SIPWMRHRDZRWBK-ZIAGYGMSSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3C[C@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860917 1131554217 /nfs/dbraw/zinc/55/42/17/1131554217.db2.gz SIPWMRHRDZRWBK-ZIAGYGMSSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC000741031472 1131567327 /nfs/dbraw/zinc/56/73/27/1131567327.db2.gz RCYYYIWBGGADIK-SJORKVTESA-N 1 2 331.456 3.682 20 0 EHADLO CC(C)[C@H](OC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)c1ccccc1 ZINC000741022182 1131570504 /nfs/dbraw/zinc/57/05/04/1131570504.db2.gz QTQOQQWTFGYEMV-RCJHGTSTSA-N 1 2 331.456 3.698 20 0 EHADLO CC(C)[C@H](OC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)c1ccccc1 ZINC000741022182 1131570507 /nfs/dbraw/zinc/57/05/07/1131570507.db2.gz QTQOQQWTFGYEMV-RCJHGTSTSA-N 1 2 331.456 3.698 20 0 EHADLO CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(C)cc1 ZINC000065304461 1131601160 /nfs/dbraw/zinc/60/11/60/1131601160.db2.gz BMARRERPWCQFCB-QGZVFWFLSA-N 1 2 341.455 3.966 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741970728 1131677177 /nfs/dbraw/zinc/67/71/77/1131677177.db2.gz KOCQVSKBYLHYJB-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO CCC1(O)CC[NH+](Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 ZINC000742172130 1131692757 /nfs/dbraw/zinc/69/27/57/1131692757.db2.gz XTOCUFZNYNDNIS-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO CC(C)c1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ncn1 ZINC000742417425 1131722058 /nfs/dbraw/zinc/72/20/58/1131722058.db2.gz QNHZKCSBMYRCNW-UHFFFAOYSA-N 1 2 339.487 3.747 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567854 1131775745 /nfs/dbraw/zinc/77/57/45/1131775745.db2.gz NECBGCFFNZHUNE-JTQLQIEISA-N 1 2 333.806 3.871 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172571475 1131778227 /nfs/dbraw/zinc/77/82/27/1131778227.db2.gz OFVKMSLDTHYHEI-MFKMUULPSA-N 1 2 333.781 3.942 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172571475 1131778232 /nfs/dbraw/zinc/77/82/32/1131778232.db2.gz OFVKMSLDTHYHEI-MFKMUULPSA-N 1 2 333.781 3.942 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180592517 1131779725 /nfs/dbraw/zinc/77/97/25/1131779725.db2.gz VDAIVBSEVLZSBC-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Cc1nc2cc(Cl)c(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2o1 ZINC001212670291 1131780074 /nfs/dbraw/zinc/78/00/74/1131780074.db2.gz PWAWTVGWPMVNHX-UHFFFAOYSA-N 1 2 343.814 3.710 20 0 EHADLO FC(F)(F)c1nnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172727555 1131827017 /nfs/dbraw/zinc/82/70/17/1131827017.db2.gz TYWJZZNDSZTPTE-UHFFFAOYSA-N 1 2 328.382 3.616 20 0 EHADLO FC(F)(F)c1nnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172727555 1131827022 /nfs/dbraw/zinc/82/70/22/1131827022.db2.gz TYWJZZNDSZTPTE-UHFFFAOYSA-N 1 2 328.382 3.616 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001172868420 1131863271 /nfs/dbraw/zinc/86/32/71/1131863271.db2.gz HJNVMAYRNSNPTI-UGSOOPFHSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001172868420 1131863277 /nfs/dbraw/zinc/86/32/77/1131863277.db2.gz HJNVMAYRNSNPTI-UGSOOPFHSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC001172863821 1131880632 /nfs/dbraw/zinc/88/06/32/1131880632.db2.gz KUSOADMHRQTZGV-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001172873514 1131891981 /nfs/dbraw/zinc/89/19/81/1131891981.db2.gz UGGPGCLVHFTMHC-FZKQIMNGSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001172873514 1131891987 /nfs/dbraw/zinc/89/19/87/1131891987.db2.gz UGGPGCLVHFTMHC-FZKQIMNGSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2C)[C@H]1c1ccccc1 ZINC000743350348 1131896856 /nfs/dbraw/zinc/89/68/56/1131896856.db2.gz YXQLXBAEGYZQRG-SUNYJGFJSA-N 1 2 326.465 3.844 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCc3sccc3[C@@H]2C)[C@H]1c1ccccc1 ZINC000743350348 1131896865 /nfs/dbraw/zinc/89/68/65/1131896865.db2.gz YXQLXBAEGYZQRG-SUNYJGFJSA-N 1 2 326.465 3.844 20 0 EHADLO CCOc1ccc(C[N@H+](C)CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000743347302 1131905857 /nfs/dbraw/zinc/90/58/57/1131905857.db2.gz NIPMCVONJOIHIP-OXQOHEQNSA-N 1 2 338.451 3.694 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000743347302 1131905867 /nfs/dbraw/zinc/90/58/67/1131905867.db2.gz NIPMCVONJOIHIP-OXQOHEQNSA-N 1 2 338.451 3.694 20 0 EHADLO Nc1ccc(N(c2ccc(Cn3cc[nH+]c3)cc2)C2CCCC2)nc1 ZINC001212694992 1131923897 /nfs/dbraw/zinc/92/38/97/1131923897.db2.gz HWIGLPXPAKFRQN-UHFFFAOYSA-N 1 2 333.439 3.989 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1c(C)cccc1F)c1ccccc1 ZINC000743483554 1131931850 /nfs/dbraw/zinc/93/18/50/1131931850.db2.gz BNXOVPHFCIBOMQ-LJQANCHMSA-N 1 2 328.431 3.833 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1C ZINC000743575684 1131945514 /nfs/dbraw/zinc/94/55/14/1131945514.db2.gz WPAHFILYRKFGCH-KDOFPFPSSA-N 1 2 339.439 3.610 20 0 EHADLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173116713 1131972105 /nfs/dbraw/zinc/97/21/05/1131972105.db2.gz WBPCYMTVSLAWLZ-IBGZPJMESA-N 1 2 345.483 3.959 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2c(F)cccc2F)[C@@H](C)CO1 ZINC000743852874 1131986344 /nfs/dbraw/zinc/98/63/44/1131986344.db2.gz VYIYZEOYPPRRIF-JVPBZIDWSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2c(F)cccc2F)[C@@H](C)CO1 ZINC000743852874 1131986351 /nfs/dbraw/zinc/98/63/51/1131986351.db2.gz VYIYZEOYPPRRIF-JVPBZIDWSA-N 1 2 347.405 3.769 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc3[nH+]ccn32)s1 ZINC000744367769 1132078080 /nfs/dbraw/zinc/07/80/80/1132078080.db2.gz OQYVAOCDQKRPBK-FPLPWBNLSA-N 1 2 326.425 3.740 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(NC(C)=O)c3)c2c1 ZINC001173831397 1132162745 /nfs/dbraw/zinc/16/27/45/1132162745.db2.gz JEVKDMJPJYDHCH-UHFFFAOYSA-N 1 2 349.390 3.535 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1csc(-c2ccc(C)o2)n1 ZINC000745086409 1132190767 /nfs/dbraw/zinc/19/07/67/1132190767.db2.gz RNAXPGLNGXSAOT-CQSZACIVSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1csc(-c2ccc(C)o2)n1 ZINC000745086409 1132190770 /nfs/dbraw/zinc/19/07/70/1132190770.db2.gz RNAXPGLNGXSAOT-CQSZACIVSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088741 1132190827 /nfs/dbraw/zinc/19/08/27/1132190827.db2.gz OHBRJXUFODUEEU-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000745088741 1132190831 /nfs/dbraw/zinc/19/08/31/1132190831.db2.gz OHBRJXUFODUEEU-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO CCCCc1noc([C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000745100632 1132193512 /nfs/dbraw/zinc/19/35/12/1132193512.db2.gz MJBUSIUJXIKDAQ-RHSMWYFYSA-N 1 2 345.443 3.709 20 0 EHADLO CCCCc1noc([C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000745100632 1132193515 /nfs/dbraw/zinc/19/35/15/1132193515.db2.gz MJBUSIUJXIKDAQ-RHSMWYFYSA-N 1 2 345.443 3.709 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(Br)ccc1Cl ZINC000745080522 1132195471 /nfs/dbraw/zinc/19/54/71/1132195471.db2.gz SNPAQGIWOQCCIS-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(Br)ccc1Cl ZINC000745080522 1132195475 /nfs/dbraw/zinc/19/54/75/1132195475.db2.gz SNPAQGIWOQCCIS-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO O=C(c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1)N1CCCC1 ZINC001174067637 1132213171 /nfs/dbraw/zinc/21/31/71/1132213171.db2.gz IBVXNGYDTJVGFM-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO Cc1cn2c(cccc2Nc2ccc(C(=O)NCc3ccco3)cc2)[nH+]1 ZINC001174153759 1132256500 /nfs/dbraw/zinc/25/65/00/1132256500.db2.gz OJKLCJHDMHKUJA-UHFFFAOYSA-N 1 2 346.390 3.909 20 0 EHADLO O=C(NCc1ccco1)c1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001174155302 1132257717 /nfs/dbraw/zinc/25/77/17/1132257717.db2.gz VHGPTRKSPCSSCU-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO CCN(C)c1ccc(Nc2cccc(C(=O)N(CC)CC)c2)c[nH+]1 ZINC001174165279 1132262692 /nfs/dbraw/zinc/26/26/92/1132262692.db2.gz NSAJMPVECWCTDJ-UHFFFAOYSA-N 1 2 326.444 3.763 20 0 EHADLO Cc1c[nH+]c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC001174260918 1132304163 /nfs/dbraw/zinc/30/41/63/1132304163.db2.gz JXEIAGKWDKZAHQ-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174267128 1132304841 /nfs/dbraw/zinc/30/48/41/1132304841.db2.gz FIVDPJVVPLBBSI-UHFFFAOYSA-N 1 2 345.468 3.608 20 0 EHADLO CNS(=O)(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC001174264691 1132304856 /nfs/dbraw/zinc/30/48/56/1132304856.db2.gz XKODGAOZUMUZST-UHFFFAOYSA-N 1 2 347.827 3.540 20 0 EHADLO Cn1ncc2ccc(Nc3cc(Br)c4[nH+]ccn4c3)cc21 ZINC001174337833 1132322587 /nfs/dbraw/zinc/32/25/87/1132322587.db2.gz BRLFVYUVVHXXOV-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(CCc1ccccc1)C1CC1 ZINC000745893602 1132328479 /nfs/dbraw/zinc/32/84/79/1132328479.db2.gz XNYINAWBNDXYFR-UHFFFAOYSA-N 1 2 345.446 3.779 20 0 EHADLO CCOC(=O)c1scnc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174380839 1132343422 /nfs/dbraw/zinc/34/34/22/1132343422.db2.gz MKAKHMXBHASGLI-UHFFFAOYSA-N 1 2 330.413 3.994 20 0 EHADLO CSc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432306 1132352474 /nfs/dbraw/zinc/35/24/74/1132352474.db2.gz MWIGEKOJUGZPKD-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1C ZINC001174432005 1132353343 /nfs/dbraw/zinc/35/33/43/1132353343.db2.gz HQZCYNNSPVOKCV-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc2c1CN=N2 ZINC001174433801 1132353915 /nfs/dbraw/zinc/35/39/15/1132353915.db2.gz QTJAZZMVJYDWSN-UHFFFAOYSA-N 1 2 338.411 3.739 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccc4[nH+]c(C)cn43)cn2)cc1 ZINC001174435437 1132354556 /nfs/dbraw/zinc/35/45/56/1132354556.db2.gz UVGFYMCYTOSMFB-UHFFFAOYSA-N 1 2 333.395 3.640 20 0 EHADLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1 ZINC001174432624 1132354573 /nfs/dbraw/zinc/35/45/73/1132354573.db2.gz VGEJUCFCXYDXKC-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC(=O)c1ccnc(Cl)c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174444399 1132362154 /nfs/dbraw/zinc/36/21/54/1132362154.db2.gz LFZQQCHADNSRJY-UHFFFAOYSA-N 1 2 345.830 3.513 20 0 EHADLO CC(=O)c1c(F)cccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446388 1132363550 /nfs/dbraw/zinc/36/35/50/1132363550.db2.gz BLEUQMOYKXFNNC-UHFFFAOYSA-N 1 2 328.387 3.604 20 0 EHADLO CCOc1ncccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001174455206 1132374574 /nfs/dbraw/zinc/37/45/74/1132374574.db2.gz IUCSJYCKTCKXNJ-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO C[NH+]1CCN(c2ccc(Nc3ccc4c[nH]nc4c3)cc2Cl)CC1 ZINC001174499860 1132378779 /nfs/dbraw/zinc/37/87/79/1132378779.db2.gz CXDPQYJSIDPFDE-UHFFFAOYSA-N 1 2 341.846 3.712 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746171744 1132386727 /nfs/dbraw/zinc/38/67/27/1132386727.db2.gz ZIAKBZGBXJAMOE-UHFFFAOYSA-N 1 2 343.492 3.754 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746171744 1132386733 /nfs/dbraw/zinc/38/67/33/1132386733.db2.gz ZIAKBZGBXJAMOE-UHFFFAOYSA-N 1 2 343.492 3.754 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(-c2ccccn2)n1 ZINC001174523621 1132400695 /nfs/dbraw/zinc/40/06/95/1132400695.db2.gz RSMKLOOMBBFSOV-UHFFFAOYSA-N 1 2 334.427 3.705 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C ZINC001174524120 1132401057 /nfs/dbraw/zinc/40/10/57/1132401057.db2.gz FGGHHZQIVDUGMP-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186848788 1132425186 /nfs/dbraw/zinc/42/51/86/1132425186.db2.gz UUOFBUNCHQOBRN-YPMHNXCESA-N 1 2 338.377 3.666 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000188524896 1132436028 /nfs/dbraw/zinc/43/60/28/1132436028.db2.gz UPRMUVGECZGWFS-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000188524896 1132436035 /nfs/dbraw/zinc/43/60/35/1132436035.db2.gz UPRMUVGECZGWFS-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CCCOc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1OCCC ZINC000188981985 1132440796 /nfs/dbraw/zinc/44/07/96/1132440796.db2.gz MIVHNUDEAWVLCR-UHFFFAOYSA-N 1 2 331.416 3.559 20 0 EHADLO CCCOc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1OCCC ZINC000188981985 1132440800 /nfs/dbraw/zinc/44/08/00/1132440800.db2.gz MIVHNUDEAWVLCR-UHFFFAOYSA-N 1 2 331.416 3.559 20 0 EHADLO FC(F)(F)C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCO1 ZINC001174771126 1132460259 /nfs/dbraw/zinc/46/02/59/1132460259.db2.gz MLSXALGWXQNQNR-AWEZNQCLSA-N 1 2 337.769 3.762 20 0 EHADLO FC(F)(F)C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCO1 ZINC001174771126 1132460265 /nfs/dbraw/zinc/46/02/65/1132460265.db2.gz MLSXALGWXQNQNR-AWEZNQCLSA-N 1 2 337.769 3.762 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001174749682 1132465537 /nfs/dbraw/zinc/46/55/37/1132465537.db2.gz RYOULWYLCWRMPI-SJLPKXTDSA-N 1 2 345.483 3.743 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001174749682 1132465541 /nfs/dbraw/zinc/46/55/41/1132465541.db2.gz RYOULWYLCWRMPI-SJLPKXTDSA-N 1 2 345.483 3.743 20 0 EHADLO Cc1c(COc2ccccc2)cccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000193418399 1132480782 /nfs/dbraw/zinc/48/07/82/1132480782.db2.gz FAKNBCHVYWRFBK-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1c(COc2ccccc2)cccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000193418399 1132480788 /nfs/dbraw/zinc/48/07/88/1132480788.db2.gz FAKNBCHVYWRFBK-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO c1cncc(Oc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)c1 ZINC001174847401 1132485734 /nfs/dbraw/zinc/48/57/34/1132485734.db2.gz FTJKEVWCEFAFJO-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO C/C(=C\C(=O)NCCCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000746398756 1132509237 /nfs/dbraw/zinc/50/92/37/1132509237.db2.gz HHGZVUHHFOOFDO-LZYBPNLTSA-N 1 2 341.499 3.942 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001174932676 1132511735 /nfs/dbraw/zinc/51/17/35/1132511735.db2.gz DZHKRMYDWCQLMP-IYBDPMFKSA-N 1 2 336.863 3.924 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001174932676 1132511739 /nfs/dbraw/zinc/51/17/39/1132511739.db2.gz DZHKRMYDWCQLMP-IYBDPMFKSA-N 1 2 336.863 3.924 20 0 EHADLO Nc1cc(Cl)cc(Cl)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977321 1132511882 /nfs/dbraw/zinc/51/18/82/1132511882.db2.gz JXVVGFUSWKXVCM-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000766376083 1132526004 /nfs/dbraw/zinc/52/60/04/1132526004.db2.gz XBMSYOUYIPAFIL-PMPSAXMXSA-N 1 2 330.501 3.959 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000766376083 1132526012 /nfs/dbraw/zinc/52/60/12/1132526012.db2.gz XBMSYOUYIPAFIL-PMPSAXMXSA-N 1 2 330.501 3.959 20 0 EHADLO C[C@H](COc1cccc(F)c1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766403279 1132530409 /nfs/dbraw/zinc/53/04/09/1132530409.db2.gz IVJTVAFRSHSYQG-GFCCVEGCSA-N 1 2 343.406 3.600 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cccc(F)c1F ZINC000766406669 1132530850 /nfs/dbraw/zinc/53/08/50/1132530850.db2.gz CZPYSMWMFKKVKC-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000804288288 1132552075 /nfs/dbraw/zinc/55/20/75/1132552075.db2.gz TVSBIIJDNNDMTE-OAQYLSRUSA-N 1 2 333.435 3.918 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)C1CCCCC1 ZINC000766521691 1132595367 /nfs/dbraw/zinc/59/53/67/1132595367.db2.gz MHKAGWBPXKRHBH-UHFFFAOYSA-N 1 2 345.487 3.772 20 0 EHADLO CCOc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1F ZINC001175234944 1132603487 /nfs/dbraw/zinc/60/34/87/1132603487.db2.gz VGSNZHKNZKENPZ-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)c[nH+]1 ZINC001175341270 1132626030 /nfs/dbraw/zinc/62/60/30/1132626030.db2.gz FWZNTBMEXVIVLZ-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO CN(C)c1ccc(Nc2cccc(C(=O)Nc3cccnc3)c2)c[nH+]1 ZINC001175345242 1132627521 /nfs/dbraw/zinc/62/75/21/1132627521.db2.gz SOZAIHNVTNFKTE-UHFFFAOYSA-N 1 2 333.395 3.539 20 0 EHADLO CC(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1Br ZINC001175346107 1132629380 /nfs/dbraw/zinc/62/93/80/1132629380.db2.gz MXOVDNSXAIVNSE-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO Cc1ccc(-c2ccc(NCCc3cn4ccccc4[nH+]3)nn2)s1 ZINC001169005788 1132629861 /nfs/dbraw/zinc/62/98/61/1132629861.db2.gz YBXDSPMCODWPJL-UHFFFAOYSA-N 1 2 335.436 3.816 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cn(C)nc1Br ZINC001169012900 1132631043 /nfs/dbraw/zinc/63/10/43/1132631043.db2.gz BRXKIKWGQJPHGW-HNNXBMFYSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cn(C)nc1Br ZINC001169012900 1132631049 /nfs/dbraw/zinc/63/10/49/1132631049.db2.gz BRXKIKWGQJPHGW-HNNXBMFYSA-N 1 2 334.261 3.520 20 0 EHADLO Cc1c(NCCc2cn3ccccc3[nH+]2)cncc1-c1ccncc1 ZINC001169010085 1132631791 /nfs/dbraw/zinc/63/17/91/1132631791.db2.gz ZSGYYWXWUNWMSW-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001169024361 1132640457 /nfs/dbraw/zinc/64/04/57/1132640457.db2.gz LVSALEGHVAVFGI-UIAACRFSSA-N 1 2 345.870 3.878 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001169024361 1132640464 /nfs/dbraw/zinc/64/04/64/1132640464.db2.gz LVSALEGHVAVFGI-UIAACRFSSA-N 1 2 345.870 3.878 20 0 EHADLO COCCOc1ccc(F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351536 1132645659 /nfs/dbraw/zinc/64/56/59/1132645659.db2.gz HUERZPMEDKUSLA-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(OC)c2)o1 ZINC001169178423 1132693065 /nfs/dbraw/zinc/69/30/65/1132693065.db2.gz QCTSGCAHKGBJEA-ZDUSSCGKSA-N 1 2 338.411 3.553 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCC2CCC3(CCC(=O)N3)CC2)c1C ZINC001169292439 1132718456 /nfs/dbraw/zinc/71/84/56/1132718456.db2.gz DCVCYNGIUWIWPQ-UHFFFAOYSA-N 1 2 344.503 3.642 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cccc([C@@H]2CCCOC2)c1 ZINC000766659789 1132720366 /nfs/dbraw/zinc/72/03/66/1132720366.db2.gz CCZLTQLEWCXOQW-QGZVFWFLSA-N 1 2 336.391 3.585 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(N3CCCC3=O)cc2)c[nH+]1 ZINC001175712965 1132740762 /nfs/dbraw/zinc/74/07/62/1132740762.db2.gz VQGAVDBTPRRIMK-UHFFFAOYSA-N 1 2 336.317 3.553 20 0 EHADLO COC(=O)c1ccc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717932 1132743062 /nfs/dbraw/zinc/74/30/62/1132743062.db2.gz YJQBJYDPIFAMBI-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nncn1-c1ccccc1 ZINC000766686032 1132744561 /nfs/dbraw/zinc/74/45/61/1132744561.db2.gz OXRUQIGOXGKTGN-UHFFFAOYSA-N 1 2 346.438 3.877 20 0 EHADLO OCC[C@@H](Nc1ccc2c([nH+]1)CCOC2)c1cccc2ccccc21 ZINC001169421788 1132749657 /nfs/dbraw/zinc/74/96/57/1132749657.db2.gz FJOFYGBMWBTEQD-HXUWFJFHSA-N 1 2 334.419 3.843 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2csc(Br)n2)c[nH+]1 ZINC001175706229 1132753265 /nfs/dbraw/zinc/75/32/65/1132753265.db2.gz LXHHIAUWORTEDT-UHFFFAOYSA-N 1 2 339.140 3.645 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2c(N)cc(Cl)nc2Cl)c[nH+]1 ZINC001175706218 1132753503 /nfs/dbraw/zinc/75/35/03/1132753503.db2.gz LLNDJOAOPOXEBJ-UHFFFAOYSA-N 1 2 338.120 3.710 20 0 EHADLO COc1ccccc1[C@H]1CSCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001175945362 1132791234 /nfs/dbraw/zinc/79/12/34/1132791234.db2.gz DKTKLAWMSHRDNO-MRXNPFEDSA-N 1 2 331.485 3.715 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC001175945362 1132791242 /nfs/dbraw/zinc/79/12/42/1132791242.db2.gz DKTKLAWMSHRDNO-MRXNPFEDSA-N 1 2 331.485 3.715 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1nc(C)c(C)[nH]1 ZINC001175945362 1132791250 /nfs/dbraw/zinc/79/12/50/1132791250.db2.gz DKTKLAWMSHRDNO-MRXNPFEDSA-N 1 2 331.485 3.715 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001176022255 1132823324 /nfs/dbraw/zinc/82/33/24/1132823324.db2.gz ZBNADFPFFRQNPR-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001176022255 1132823330 /nfs/dbraw/zinc/82/33/30/1132823330.db2.gz ZBNADFPFFRQNPR-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO CC(=O)N1CC=C(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC001176026280 1132823858 /nfs/dbraw/zinc/82/38/58/1132823858.db2.gz OFUFJPIHWCDJNA-UHFFFAOYSA-N 1 2 335.329 3.802 20 0 EHADLO CCOC(=O)C[C@@H](Nc1[nH+]ccc2cc(F)ccc21)c1cccnc1 ZINC001169674399 1132825612 /nfs/dbraw/zinc/82/56/12/1132825612.db2.gz STEKYUGNONQOCR-QGZVFWFLSA-N 1 2 339.370 3.875 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc2c1OCC2 ZINC001176075725 1132829621 /nfs/dbraw/zinc/82/96/21/1132829621.db2.gz URGLQJQHIDRQPY-UHFFFAOYSA-N 1 2 336.395 3.517 20 0 EHADLO COC(=O)c1cccc(-c2ccc(NCc3ncccc3O)[nH+]c2C)c1 ZINC001169734397 1132844006 /nfs/dbraw/zinc/84/40/06/1132844006.db2.gz WSXVPDNEWHISEH-UHFFFAOYSA-N 1 2 349.390 3.556 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC001176152478 1132864391 /nfs/dbraw/zinc/86/43/91/1132864391.db2.gz ZSDMEEUUZNVOBC-UHFFFAOYSA-N 1 2 344.846 3.781 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001176204802 1132872279 /nfs/dbraw/zinc/87/22/79/1132872279.db2.gz IHEDFWDMSHEHGW-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO OC[C@@H](CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21)Cc1ccccc1 ZINC001169903106 1132893859 /nfs/dbraw/zinc/89/38/59/1132893859.db2.gz DFEXUBBTCCKVAR-CYBMUJFWSA-N 1 2 349.356 3.845 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000767067178 1132940842 /nfs/dbraw/zinc/94/08/42/1132940842.db2.gz LYSVMCKDKILQKB-INIZCTEOSA-N 1 2 325.412 3.782 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc1 ZINC000767093657 1132948662 /nfs/dbraw/zinc/94/86/62/1132948662.db2.gz ZCTWACBBLHDQCO-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO Fc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc(N2CCOCC2)c1 ZINC001176500285 1132950333 /nfs/dbraw/zinc/95/03/33/1132950333.db2.gz DSKLSQKCLVRNAW-UHFFFAOYSA-N 1 2 346.793 3.707 20 0 EHADLO Clc1cc(Nc2cnc(N3CCCCC3)nc2)cn2cc[nH+]c12 ZINC001176505995 1132952381 /nfs/dbraw/zinc/95/23/81/1132952381.db2.gz GFVFOSPMHOHNAD-UHFFFAOYSA-N 1 2 328.807 3.512 20 0 EHADLO FC(F)(F)Oc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001176535331 1132957833 /nfs/dbraw/zinc/95/78/33/1132957833.db2.gz LBDAUSOMUMEMQA-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000804349778 1132968997 /nfs/dbraw/zinc/96/89/97/1132968997.db2.gz JFTCHUWEPAOASC-KSZLIROESA-N 1 2 331.419 3.743 20 0 EHADLO COc1ccccc1-n1ncc(C)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176748994 1132991746 /nfs/dbraw/zinc/99/17/46/1132991746.db2.gz NDWAMROINBFYSL-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1CCC1CCCCCC1 ZINC001176760952 1132999079 /nfs/dbraw/zinc/99/90/79/1132999079.db2.gz KYDRESDMKVXQNY-IBGZPJMESA-N 1 2 331.456 3.956 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1CCC1CCCCCC1 ZINC001176760952 1132999083 /nfs/dbraw/zinc/99/90/83/1132999083.db2.gz KYDRESDMKVXQNY-IBGZPJMESA-N 1 2 331.456 3.956 20 0 EHADLO COc1ccc(C[N@H+](CCCO)Cc2c(F)ccc(C)c2F)cc1 ZINC001176827405 1133002925 /nfs/dbraw/zinc/00/29/25/1133002925.db2.gz DQTCQPJAVYEJJB-UHFFFAOYSA-N 1 2 335.394 3.666 20 0 EHADLO COc1ccc(C[N@@H+](CCCO)Cc2c(F)ccc(C)c2F)cc1 ZINC001176827405 1133002930 /nfs/dbraw/zinc/00/29/30/1133002930.db2.gz DQTCQPJAVYEJJB-UHFFFAOYSA-N 1 2 335.394 3.666 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC001176832515 1133003904 /nfs/dbraw/zinc/00/39/04/1133003904.db2.gz UGADBDLUTWSYSU-UHFFFAOYSA-N 1 2 334.404 3.868 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CCCC(C)(F)F)CCO2)cc1OC ZINC001176946626 1133015531 /nfs/dbraw/zinc/01/55/31/1133015531.db2.gz QUCWESWAUZWMHC-INIZCTEOSA-N 1 2 329.387 3.513 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CCCC(C)(F)F)CCO2)cc1OC ZINC001176946626 1133015537 /nfs/dbraw/zinc/01/55/37/1133015537.db2.gz QUCWESWAUZWMHC-INIZCTEOSA-N 1 2 329.387 3.513 20 0 EHADLO COc1cc(C)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1C ZINC001176968101 1133017518 /nfs/dbraw/zinc/01/75/18/1133017518.db2.gz ZFKXEDBFGXFQPK-INIZCTEOSA-N 1 2 339.439 3.562 20 0 EHADLO Cc1cccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1Br ZINC000767581005 1133018888 /nfs/dbraw/zinc/01/88/88/1133018888.db2.gz RLLCGOYDXGVQCL-UHFFFAOYSA-N 1 2 349.228 3.576 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001177040111 1133025003 /nfs/dbraw/zinc/02/50/03/1133025003.db2.gz KOZXPRCUPCDUHS-KRWDZBQOSA-N 1 2 330.403 3.636 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001169971690 1133040115 /nfs/dbraw/zinc/04/01/15/1133040115.db2.gz VXWKXDGQUSMBCT-LBPRGKRZSA-N 1 2 344.308 3.876 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001169971690 1133040119 /nfs/dbraw/zinc/04/01/19/1133040119.db2.gz VXWKXDGQUSMBCT-LBPRGKRZSA-N 1 2 344.308 3.876 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(Cc2cccs2)oc1=S ZINC000767766851 1133049569 /nfs/dbraw/zinc/04/95/69/1133049569.db2.gz CMGXRUGISXWMKF-NSHDSACASA-N 1 2 341.527 3.643 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(Cc2cccs2)oc1=S ZINC000767766851 1133049575 /nfs/dbraw/zinc/04/95/75/1133049575.db2.gz CMGXRUGISXWMKF-NSHDSACASA-N 1 2 341.527 3.643 20 0 EHADLO CN(CC(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1cccc[nH+]1 ZINC001177409133 1133063275 /nfs/dbraw/zinc/06/32/75/1133063275.db2.gz RGNSZIKOXUTHEE-UHFFFAOYSA-N 1 2 349.356 3.750 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767874760 1133066405 /nfs/dbraw/zinc/06/64/05/1133066405.db2.gz ATGJPJCWSNJRNX-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767874760 1133066410 /nfs/dbraw/zinc/06/64/10/1133066410.db2.gz ATGJPJCWSNJRNX-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767876693 1133066627 /nfs/dbraw/zinc/06/66/27/1133066627.db2.gz QLESTCGDPCYCFX-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767876693 1133066631 /nfs/dbraw/zinc/06/66/31/1133066631.db2.gz QLESTCGDPCYCFX-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)NCC1CCCCC1 ZINC000773668856 1133067487 /nfs/dbraw/zinc/06/74/87/1133067487.db2.gz KMCDXXPCNRHAFL-UHFFFAOYSA-N 1 2 347.890 3.521 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)NCC1CCCCC1 ZINC000773668856 1133067492 /nfs/dbraw/zinc/06/74/92/1133067492.db2.gz KMCDXXPCNRHAFL-UHFFFAOYSA-N 1 2 347.890 3.521 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2nc3ccccc3s2)c(C)c[nH+]1 ZINC000767948610 1133074209 /nfs/dbraw/zinc/07/42/09/1133074209.db2.gz BUBFPHNFTJZUPG-GFCCVEGCSA-N 1 2 326.425 3.613 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000767964533 1133078397 /nfs/dbraw/zinc/07/83/97/1133078397.db2.gz FIAOLAPUQUOKIC-YJBOKZPZSA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000767964533 1133078399 /nfs/dbraw/zinc/07/83/99/1133078399.db2.gz FIAOLAPUQUOKIC-YJBOKZPZSA-N 1 2 334.847 3.610 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]Cc3ccc(F)c(Cl)c3)cs2)n1 ZINC001177590027 1133084161 /nfs/dbraw/zinc/08/41/61/1133084161.db2.gz CNEJTNPTNBGFCE-UHFFFAOYSA-N 1 2 336.823 3.626 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177622776 1133087424 /nfs/dbraw/zinc/08/74/24/1133087424.db2.gz RTDDLQDLPGTXNF-QGZVFWFLSA-N 1 2 342.439 3.886 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC001177622776 1133087430 /nfs/dbraw/zinc/08/74/30/1133087430.db2.gz RTDDLQDLPGTXNF-QGZVFWFLSA-N 1 2 342.439 3.886 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768133217 1133100438 /nfs/dbraw/zinc/10/04/38/1133100438.db2.gz SXWYUKGFAZNRFK-KRWDZBQOSA-N 1 2 325.456 3.638 20 0 EHADLO CC[N@H+](CCO)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000768140254 1133101681 /nfs/dbraw/zinc/10/16/81/1133101681.db2.gz GMNGMGSGEIDSGD-UHFFFAOYSA-N 1 2 335.879 3.637 20 0 EHADLO CC[N@@H+](CCO)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000768140254 1133101687 /nfs/dbraw/zinc/10/16/87/1133101687.db2.gz GMNGMGSGEIDSGD-UHFFFAOYSA-N 1 2 335.879 3.637 20 0 EHADLO Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926271 1133114010 /nfs/dbraw/zinc/11/40/10/1133114010.db2.gz GMCXGKFFSJOHPB-CYBMUJFWSA-N 1 2 344.415 3.738 20 0 EHADLO O=C(Cc1ccc(-c2ccccn2)cc1)NCc1c[nH+]cn1C1CCC1 ZINC001177953376 1133121544 /nfs/dbraw/zinc/12/15/44/1133121544.db2.gz QYDVDISZBVEQLW-UHFFFAOYSA-N 1 2 346.434 3.529 20 0 EHADLO O=C(Nc1cc(C2CCCCC2)ccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118606 1133132415 /nfs/dbraw/zinc/13/24/15/1133132415.db2.gz VTKKWEANUWYHAP-MRXNPFEDSA-N 1 2 339.439 3.838 20 0 EHADLO CN(C(=O)C[NH2+]Cc1cc(Cl)sc1Cl)C1CCCCC1 ZINC001178184063 1133140301 /nfs/dbraw/zinc/14/03/01/1133140301.db2.gz GILCSFVXPZTOOI-UHFFFAOYSA-N 1 2 335.300 3.936 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC001204214309 1133152832 /nfs/dbraw/zinc/15/28/32/1133152832.db2.gz WDAFQCHZZBZVPU-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1F ZINC001204214309 1133152836 /nfs/dbraw/zinc/15/28/36/1133152836.db2.gz WDAFQCHZZBZVPU-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC(C(F)F)C1 ZINC000768707778 1133170823 /nfs/dbraw/zinc/17/08/23/1133170823.db2.gz JYGQWDCQLBGKEO-YMAMQOFZSA-N 1 2 325.399 3.573 20 0 EHADLO CCc1[nH]c(CNC(=O)CSCc2ccc(C(C)(C)C)cc2)c[nH+]1 ZINC001178669699 1133189016 /nfs/dbraw/zinc/18/90/16/1133189016.db2.gz MPSBSNUBYVOFFE-UHFFFAOYSA-N 1 2 345.512 3.819 20 0 EHADLO CCc1[nH]cc(CNC(=O)CSCc2ccc(C(C)(C)C)cc2)[nH+]1 ZINC001178669699 1133189018 /nfs/dbraw/zinc/18/90/18/1133189018.db2.gz MPSBSNUBYVOFFE-UHFFFAOYSA-N 1 2 345.512 3.819 20 0 EHADLO CCn1ncc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)n1 ZINC001179228474 1133237446 /nfs/dbraw/zinc/23/74/46/1133237446.db2.gz JMFDJCMHPAQKSB-UHFFFAOYSA-N 1 2 326.375 3.519 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC001179378153 1133248316 /nfs/dbraw/zinc/24/83/16/1133248316.db2.gz RBLFWQVLQOTYQV-KRWDZBQOSA-N 1 2 334.891 3.857 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC001179378153 1133248321 /nfs/dbraw/zinc/24/83/21/1133248321.db2.gz RBLFWQVLQOTYQV-KRWDZBQOSA-N 1 2 334.891 3.857 20 0 EHADLO COc1nccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2F)c1F ZINC001179369662 1133248371 /nfs/dbraw/zinc/24/83/71/1133248371.db2.gz KIGYJFUHGVBGED-UHFFFAOYSA-N 1 2 333.165 3.965 20 0 EHADLO CCOc1ccc(Cl)cc1C[NH2+]Cc1nn(C)cc1C(F)F ZINC001179386896 1133248802 /nfs/dbraw/zinc/24/88/02/1133248802.db2.gz WELNPVKCXPDBLM-UHFFFAOYSA-N 1 2 329.778 3.700 20 0 EHADLO Cc1cc(CNc2cc3n(n2)CCN(Cc2ccccc2)C3)cc(C)[nH+]1 ZINC001179438548 1133251199 /nfs/dbraw/zinc/25/11/99/1133251199.db2.gz WNFSCKGXSSNABT-UHFFFAOYSA-N 1 2 347.466 3.523 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3ccc4c(c3)COC4)CC2)s1 ZINC000769317526 1133260532 /nfs/dbraw/zinc/26/05/32/1133260532.db2.gz RZSRJEKHEFHSSO-UHFFFAOYSA-N 1 2 342.508 3.659 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000769329411 1133263664 /nfs/dbraw/zinc/26/36/64/1133263664.db2.gz LAVIERCKIRXIRG-HNNXBMFYSA-N 1 2 333.863 3.870 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000769329411 1133263668 /nfs/dbraw/zinc/26/36/68/1133263668.db2.gz LAVIERCKIRXIRG-HNNXBMFYSA-N 1 2 333.863 3.870 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000769342299 1133267487 /nfs/dbraw/zinc/26/74/87/1133267487.db2.gz JVCCZSFLPJMLDW-AWEZNQCLSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000769342299 1133267492 /nfs/dbraw/zinc/26/74/92/1133267492.db2.gz JVCCZSFLPJMLDW-AWEZNQCLSA-N 1 2 341.282 3.970 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1nccc2ccccc21 ZINC000769379819 1133272704 /nfs/dbraw/zinc/27/27/04/1133272704.db2.gz NWISDNDXEWMTGG-NRFANRHFSA-N 1 2 348.446 3.841 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1nccc2ccccc21 ZINC000769379819 1133272708 /nfs/dbraw/zinc/27/27/08/1133272708.db2.gz NWISDNDXEWMTGG-NRFANRHFSA-N 1 2 348.446 3.841 20 0 EHADLO O=C(/C=C/c1c(F)ccc(F)c1Cl)Nc1cccc2[nH+]ccn21 ZINC001179767339 1133276309 /nfs/dbraw/zinc/27/63/09/1133276309.db2.gz KIPAOPVQYMAMIF-QPJJXVBHSA-N 1 2 333.725 3.918 20 0 EHADLO CC(C)c1ncc(C[NH2+]Cc2ncccc2Br)s1 ZINC001179793720 1133283362 /nfs/dbraw/zinc/28/33/62/1133283362.db2.gz OGYNFTYZCOCDAK-UHFFFAOYSA-N 1 2 326.263 3.714 20 0 EHADLO CCCn1cncc1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001179877754 1133298060 /nfs/dbraw/zinc/29/80/60/1133298060.db2.gz JAFWOJUXCVIFOB-MRXNPFEDSA-N 1 2 346.906 3.825 20 0 EHADLO O=C(Cc1ccccc1Oc1ccccc1)NCCOc1cc[nH+]cc1 ZINC001179879672 1133298550 /nfs/dbraw/zinc/29/85/50/1133298550.db2.gz IXNPZHFIHBVXFD-UHFFFAOYSA-N 1 2 348.402 3.612 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000769565767 1133316243 /nfs/dbraw/zinc/31/62/43/1133316243.db2.gz QCITZVULZOVKSF-KRWDZBQOSA-N 1 2 337.778 3.687 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000769565767 1133316249 /nfs/dbraw/zinc/31/62/49/1133316249.db2.gz QCITZVULZOVKSF-KRWDZBQOSA-N 1 2 337.778 3.687 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)COC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001180327487 1133361718 /nfs/dbraw/zinc/36/17/18/1133361718.db2.gz LSZKHEBIGATSQD-CQSZACIVSA-N 1 2 347.286 3.527 20 0 EHADLO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCO[C@H](C)C3)n2c1 ZINC001180368298 1133366900 /nfs/dbraw/zinc/36/69/00/1133366900.db2.gz KQCWRVATBLHTNL-OAHLLOKOSA-N 1 2 339.414 3.670 20 0 EHADLO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCO[C@H](C)C3)n2c1 ZINC001180368298 1133366903 /nfs/dbraw/zinc/36/69/03/1133366903.db2.gz KQCWRVATBLHTNL-OAHLLOKOSA-N 1 2 339.414 3.670 20 0 EHADLO CCc1[nH]c(C[N@H+](C)Cc2ccc(Cl)s2)cc1C(=O)OC ZINC001180412774 1133372351 /nfs/dbraw/zinc/37/23/51/1133372351.db2.gz GZJGMYIBHOWGIX-UHFFFAOYSA-N 1 2 326.849 3.711 20 0 EHADLO CCc1[nH]c(C[N@@H+](C)Cc2ccc(Cl)s2)cc1C(=O)OC ZINC001180412774 1133372358 /nfs/dbraw/zinc/37/23/58/1133372358.db2.gz GZJGMYIBHOWGIX-UHFFFAOYSA-N 1 2 326.849 3.711 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]2)cc1 ZINC000769988041 1133374300 /nfs/dbraw/zinc/37/43/00/1133374300.db2.gz PDTNINUPLRSUJZ-GVDBMIGSSA-N 1 2 340.471 3.832 20 0 EHADLO Fc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1Cl ZINC001204286369 1133429004 /nfs/dbraw/zinc/42/90/04/1133429004.db2.gz IIIZXFBCMJOXTE-HNNXBMFYSA-N 1 2 332.797 3.785 20 0 EHADLO Cc1ccc([C@H](C)OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000770656332 1133460264 /nfs/dbraw/zinc/46/02/64/1133460264.db2.gz QVWMFMZTJQLTLF-FXAWDEMLSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccc([C@H](C)OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000770656332 1133460266 /nfs/dbraw/zinc/46/02/66/1133460266.db2.gz QVWMFMZTJQLTLF-FXAWDEMLSA-N 1 2 339.435 3.500 20 0 EHADLO CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)c[nH]1 ZINC000770652794 1133460797 /nfs/dbraw/zinc/46/07/97/1133460797.db2.gz APYSVOKLNDDTNS-OAHLLOKOSA-N 1 2 345.406 3.606 20 0 EHADLO COc1ccc2oc(C(=O)OCc3cccc4[nH+]ccn43)c(C)c2c1 ZINC000770920405 1133483813 /nfs/dbraw/zinc/48/38/13/1133483813.db2.gz JIUCDQRKEMDFTN-UHFFFAOYSA-N 1 2 336.347 3.755 20 0 EHADLO COc1ccc(S[C@@H](C)C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770922911 1133484704 /nfs/dbraw/zinc/48/47/04/1133484704.db2.gz UNLUXWJCTLBXGW-ZDUSSCGKSA-N 1 2 342.420 3.567 20 0 EHADLO CC(C)(C)n1nc(C(=O)OCc2cccc3[nH+]ccn32)cc1C1CC1 ZINC000770923706 1133484722 /nfs/dbraw/zinc/48/47/22/1133484722.db2.gz CIDPABYYMDMRHO-UHFFFAOYSA-N 1 2 338.411 3.520 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)c2)[nH+]c1C ZINC000771268146 1133534100 /nfs/dbraw/zinc/53/41/00/1133534100.db2.gz YTVJRAYTLFNAIY-UHFFFAOYSA-N 1 2 348.406 3.924 20 0 EHADLO CC[C@H](CC(C)C)C(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001181855951 1133541027 /nfs/dbraw/zinc/54/10/27/1133541027.db2.gz VWHJRMXNVAWLQT-MRXNPFEDSA-N 1 2 343.471 3.629 20 0 EHADLO O=C(C1c2ccccc2-c2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC001181914286 1133550913 /nfs/dbraw/zinc/55/09/13/1133550913.db2.gz HYGJLSVQJBLPHF-UHFFFAOYSA-N 1 2 343.430 3.859 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cc2cc(Br)cnc2F)C1 ZINC001182043117 1133565163 /nfs/dbraw/zinc/56/51/63/1133565163.db2.gz FWXSDQWIKVEFQF-JTQLQIEISA-N 1 2 333.270 3.558 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cc2cc(Br)cnc2F)C1 ZINC001182043117 1133565161 /nfs/dbraw/zinc/56/51/61/1133565161.db2.gz FWXSDQWIKVEFQF-JTQLQIEISA-N 1 2 333.270 3.558 20 0 EHADLO Cc1c[nH]c(CCNC(=O)C2(Cc3ccccc3)CCCCC2)[nH+]1 ZINC001182216729 1133597345 /nfs/dbraw/zinc/59/73/45/1133597345.db2.gz CWZGAXLIRNLBNQ-UHFFFAOYSA-N 1 2 325.456 3.570 20 0 EHADLO CCCN(CCOC)C(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182219180 1133598021 /nfs/dbraw/zinc/59/80/21/1133598021.db2.gz OPJPPIQQNGLTKP-QGZVFWFLSA-N 1 2 340.895 3.608 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(OC)ccn1)c1ccccc1Cl ZINC001182218427 1133598281 /nfs/dbraw/zinc/59/82/81/1133598281.db2.gz JVMIRAWDKIHONB-QGZVFWFLSA-N 1 2 347.846 3.765 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N(CCOC)C(C)C)c1ccccc1Cl ZINC001182225041 1133600061 /nfs/dbraw/zinc/60/00/61/1133600061.db2.gz MXUNZSUBEUDZOF-QGZVFWFLSA-N 1 2 340.895 3.606 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1C ZINC001182344982 1133638742 /nfs/dbraw/zinc/63/87/42/1133638742.db2.gz LXGJPOIFBUXFBQ-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1C ZINC001182344982 1133638743 /nfs/dbraw/zinc/63/87/43/1133638743.db2.gz LXGJPOIFBUXFBQ-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO O[C@@]1(c2ccc(Cl)cc2)CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC001182704398 1133721332 /nfs/dbraw/zinc/72/13/32/1133721332.db2.gz NQLCCBCZAJGDDQ-HNNXBMFYSA-N 1 2 343.279 3.934 20 0 EHADLO O[C@@]1(c2ccc(Cl)cc2)CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC001182704398 1133721336 /nfs/dbraw/zinc/72/13/36/1133721336.db2.gz NQLCCBCZAJGDDQ-HNNXBMFYSA-N 1 2 343.279 3.934 20 0 EHADLO C[C@@H](NC(=O)c1nccc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183031917 1133758964 /nfs/dbraw/zinc/75/89/64/1133758964.db2.gz XDDPWBMBPZOAPR-CYBMUJFWSA-N 1 2 332.363 3.505 20 0 EHADLO C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183018497 1133761410 /nfs/dbraw/zinc/76/14/10/1133761410.db2.gz NHLLHWWWVLOSAP-CYBMUJFWSA-N 1 2 348.381 3.984 20 0 EHADLO COC(=O)Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC001183085279 1133762569 /nfs/dbraw/zinc/76/25/69/1133762569.db2.gz WZVAYIQKKOPNFY-SFHVURJKSA-N 1 2 347.405 3.758 20 0 EHADLO CCOc1ccccc1-c1cccc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000772671698 1133762698 /nfs/dbraw/zinc/76/26/98/1133762698.db2.gz JYEDFLVSRWGYEK-UHFFFAOYSA-N 1 2 336.391 3.843 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC001183066088 1133765519 /nfs/dbraw/zinc/76/55/19/1133765519.db2.gz UQSJWUSVSBEGSY-UHFFFAOYSA-N 1 2 346.858 3.927 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC001183066088 1133765521 /nfs/dbraw/zinc/76/55/21/1133765521.db2.gz UQSJWUSVSBEGSY-UHFFFAOYSA-N 1 2 346.858 3.927 20 0 EHADLO CCOc1cccc(F)c1C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001183169136 1133774920 /nfs/dbraw/zinc/77/49/20/1133774920.db2.gz BOWCMPSERDFENZ-CYBMUJFWSA-N 1 2 340.439 3.569 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001183169136 1133774926 /nfs/dbraw/zinc/77/49/26/1133774926.db2.gz BOWCMPSERDFENZ-CYBMUJFWSA-N 1 2 340.439 3.569 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001183226911 1133781195 /nfs/dbraw/zinc/78/11/95/1133781195.db2.gz KZNWNSGMWPTSFM-HNNXBMFYSA-N 1 2 348.796 3.849 20 0 EHADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001183226911 1133781201 /nfs/dbraw/zinc/78/12/01/1133781201.db2.gz KZNWNSGMWPTSFM-HNNXBMFYSA-N 1 2 348.796 3.849 20 0 EHADLO COc1cc(C)cc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000786147567 1133805937 /nfs/dbraw/zinc/80/59/37/1133805937.db2.gz ULEZPBIKUNLQEO-UHFFFAOYSA-N 1 2 343.427 3.654 20 0 EHADLO CC(C)(C)c1ccnc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001184568219 1133959296 /nfs/dbraw/zinc/95/92/96/1133959296.db2.gz ITHYMHQBIFKGCI-UHFFFAOYSA-N 1 2 334.423 3.876 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3sccc3Cl)C2)C1 ZINC001205320482 1134014477 /nfs/dbraw/zinc/01/44/77/1134014477.db2.gz ZZIPIUYDFJMSOJ-UHFFFAOYSA-N 1 2 342.892 3.844 20 0 EHADLO O=C1c2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2CN1C1CC1 ZINC001185043970 1134025033 /nfs/dbraw/zinc/02/50/33/1134025033.db2.gz SMWUMMIQNRRKBE-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO Brc1ccc2nc(C[NH+]3CCSCC3)sc2c1 ZINC000774827752 1134028282 /nfs/dbraw/zinc/02/82/82/1134028282.db2.gz UYRYWEYGCSFGRJ-UHFFFAOYSA-N 1 2 329.288 3.608 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000774858935 1134073953 /nfs/dbraw/zinc/07/39/53/1134073953.db2.gz XTHREAOILCUBFX-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO C[C@@H](CC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872998 1134089866 /nfs/dbraw/zinc/08/98/66/1134089866.db2.gz DJOZWLCISLCABU-WMLDXEAASA-N 1 2 327.428 3.514 20 0 EHADLO C[C@@H](CC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872998 1134089870 /nfs/dbraw/zinc/08/98/70/1134089870.db2.gz DJOZWLCISLCABU-WMLDXEAASA-N 1 2 327.428 3.514 20 0 EHADLO Cc1nc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(Br)c(C)[nH+]1 ZINC001185857243 1134144432 /nfs/dbraw/zinc/14/44/32/1134144432.db2.gz KTIIWOCUSTURML-SQWLQELKSA-N 1 2 344.256 3.996 20 0 EHADLO O=C(Nc1cc[nH+]c(N2CCCC2)c1)Nc1c(F)cc(F)cc1F ZINC001186020236 1134160976 /nfs/dbraw/zinc/16/09/76/1134160976.db2.gz AAWUPCVQYTUWDF-UHFFFAOYSA-N 1 2 336.317 3.743 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(c2ccc3ncccc3c2)CC1 ZINC001186081108 1134165492 /nfs/dbraw/zinc/16/54/92/1134165492.db2.gz CIOWZMYTHRVJLK-UHFFFAOYSA-N 1 2 328.375 3.553 20 0 EHADLO C/C=C(\CC)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788733599 1134167808 /nfs/dbraw/zinc/16/78/08/1134167808.db2.gz ORDFAACNUQGHTI-CRKCGEKBSA-N 1 2 340.389 3.706 20 0 EHADLO CCc1cc(N(Cc2ccccc2)C[C@@](C)(O)CC)nc(CC)[nH+]1 ZINC001186155645 1134176543 /nfs/dbraw/zinc/17/65/43/1134176543.db2.gz CBBWZQDDHXVGKV-FQEVSTJZSA-N 1 2 327.472 3.769 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C(F)(F)F)c(F)c1F ZINC001186460711 1134223958 /nfs/dbraw/zinc/22/39/58/1134223958.db2.gz WAIZLJUIYUHGTJ-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000789255369 1134244058 /nfs/dbraw/zinc/24/40/58/1134244058.db2.gz RRAXLIKUJIUCAS-LJQANCHMSA-N 1 2 348.402 3.741 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000775062671 1134274751 /nfs/dbraw/zinc/27/47/51/1134274751.db2.gz GJWATWUEPVQBFY-NSHDSACASA-N 1 2 326.209 3.639 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000775062671 1134274755 /nfs/dbraw/zinc/27/47/55/1134274755.db2.gz GJWATWUEPVQBFY-NSHDSACASA-N 1 2 326.209 3.639 20 0 EHADLO FC(F)(F)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000789526346 1134290618 /nfs/dbraw/zinc/29/06/18/1134290618.db2.gz CQLMFAXUIRLIBF-UHFFFAOYSA-N 1 2 330.379 3.629 20 0 EHADLO CC(C)c1cc(NCCc2ccc(O)c(CO)c2)nc(C(C)C)[nH+]1 ZINC001187495893 1134343221 /nfs/dbraw/zinc/34/32/21/1134343221.db2.gz BJBGFQJOIWQFQK-UHFFFAOYSA-N 1 2 329.444 3.576 20 0 EHADLO CCc1cc(NCc2cc(-c3cccc(OC)c3)no2)nc(CC)[nH+]1 ZINC001187724948 1134375247 /nfs/dbraw/zinc/37/52/47/1134375247.db2.gz VDBUFUQBSSSIRO-UHFFFAOYSA-N 1 2 338.411 3.877 20 0 EHADLO COCC[N@H+](Cn1nc(OC(C)C)sc1=S)[C@@H]1CC[C@H](C)C1 ZINC000790480200 1134423184 /nfs/dbraw/zinc/42/31/84/1134423184.db2.gz RFIVVMIIEZHXDV-QWHCGFSZSA-N 1 2 345.534 3.556 20 0 EHADLO COCC[N@@H+](Cn1nc(OC(C)C)sc1=S)[C@@H]1CC[C@H](C)C1 ZINC000790480200 1134423190 /nfs/dbraw/zinc/42/31/90/1134423190.db2.gz RFIVVMIIEZHXDV-QWHCGFSZSA-N 1 2 345.534 3.556 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791752127 1134602293 /nfs/dbraw/zinc/60/22/93/1134602293.db2.gz SOZZZJCPEYEIPI-CQSZACIVSA-N 1 2 328.412 3.606 20 0 EHADLO O=C(Nc1ccccc1-c1cnco1)c1ccccc1-n1cc[nH+]c1 ZINC001190096560 1134654841 /nfs/dbraw/zinc/65/48/41/1134654841.db2.gz HMNNKIOSWZGIIH-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2ccccc2-n2cc[nH+]c2)c1 ZINC001190098921 1134654861 /nfs/dbraw/zinc/65/48/61/1134654861.db2.gz BFRGNHSWKQROOC-QGZVFWFLSA-N 1 2 349.434 3.686 20 0 EHADLO COc1cc2[nH]ccc2c(NC(=O)c2ccccc2-n2cc[nH+]c2)c1 ZINC001190100289 1134656191 /nfs/dbraw/zinc/65/61/91/1134656191.db2.gz RBTVOCCFRYXLIW-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO CCC1(NC(=O)c2ccccc2-n2cc[nH+]c2)CCC(F)(F)CC1 ZINC001190113666 1134661618 /nfs/dbraw/zinc/66/16/18/1134661618.db2.gz MTEBRVNBRCNRSM-UHFFFAOYSA-N 1 2 333.382 3.960 20 0 EHADLO Cc1n[nH]c(C)c1-c1ccccc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001190185949 1134663787 /nfs/dbraw/zinc/66/37/87/1134663787.db2.gz POKDNAMYCWFQCR-UHFFFAOYSA-N 1 2 349.438 3.545 20 0 EHADLO Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c2nccc(C)c2c1 ZINC000792677282 1134776697 /nfs/dbraw/zinc/77/66/97/1134776697.db2.gz KCKZBATVUOXTPT-UHFFFAOYSA-N 1 2 335.407 3.670 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cn2[nH]c(/C=C\c3ccccc3)nc2=S)C1 ZINC000792719222 1134778569 /nfs/dbraw/zinc/77/85/69/1134778569.db2.gz HICKDMHIUDZGHM-DANTVBBOSA-N 1 2 346.525 3.753 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cn2[nH]c(/C=C\c3ccccc3)nc2=S)C1 ZINC000792719222 1134778573 /nfs/dbraw/zinc/77/85/73/1134778573.db2.gz HICKDMHIUDZGHM-DANTVBBOSA-N 1 2 346.525 3.753 20 0 EHADLO CCOC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCCC1 ZINC000792824777 1134797222 /nfs/dbraw/zinc/79/72/22/1134797222.db2.gz IPUZZNVKBMDSRN-UHFFFAOYSA-N 1 2 328.412 3.573 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C(C)(C)C)C2)c1C ZINC000792877314 1134810654 /nfs/dbraw/zinc/81/06/54/1134810654.db2.gz DYKWNMXFOJGUEP-OAHLLOKOSA-N 1 2 333.476 3.675 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000793249426 1134888732 /nfs/dbraw/zinc/88/87/32/1134888732.db2.gz HBMJIPJJGWYGFL-UHFFFAOYSA-N 1 2 340.354 3.751 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)n1 ZINC001191682371 1134899380 /nfs/dbraw/zinc/89/93/80/1134899380.db2.gz QDUACANWYJBUNL-IBGZPJMESA-N 1 2 349.482 3.762 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)n1 ZINC001191682371 1134899387 /nfs/dbraw/zinc/89/93/87/1134899387.db2.gz QDUACANWYJBUNL-IBGZPJMESA-N 1 2 349.482 3.762 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cncc(F)c1 ZINC000793377209 1134915239 /nfs/dbraw/zinc/91/52/39/1134915239.db2.gz GYFPMKHSINSDPP-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793489624 1134940308 /nfs/dbraw/zinc/94/03/08/1134940308.db2.gz GSEYTNKIJDIDRF-INIZCTEOSA-N 1 2 342.405 3.700 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793489624 1134940315 /nfs/dbraw/zinc/94/03/15/1134940315.db2.gz GSEYTNKIJDIDRF-INIZCTEOSA-N 1 2 342.405 3.700 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCc1ccc(F)cc1 ZINC000796698002 1134943933 /nfs/dbraw/zinc/94/39/33/1134943933.db2.gz FROBTIPAEXYMEO-UHFFFAOYSA-N 1 2 348.324 3.548 20 0 EHADLO CCSc1nn(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(=S)s1 ZINC000793549397 1134954378 /nfs/dbraw/zinc/95/43/78/1134954378.db2.gz ZVLWQBROUFSHQG-GZMMTYOYSA-N 1 2 337.486 3.721 20 0 EHADLO CCSc1nn(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(=S)s1 ZINC000793549397 1134954383 /nfs/dbraw/zinc/95/43/83/1134954383.db2.gz ZVLWQBROUFSHQG-GZMMTYOYSA-N 1 2 337.486 3.721 20 0 EHADLO FC1(F)CC[NH+](Cc2cccc(I)c2)CC1 ZINC000793586249 1134963326 /nfs/dbraw/zinc/96/33/26/1134963326.db2.gz HKVSWCKPRMWBKW-UHFFFAOYSA-N 1 2 337.151 3.522 20 0 EHADLO c1cnn(-c2ccccc2CNc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000158220556 1134990882 /nfs/dbraw/zinc/99/08/82/1134990882.db2.gz HLJGFXWZATUBAB-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC000793968670 1135008713 /nfs/dbraw/zinc/00/87/13/1135008713.db2.gz WVGMZKBVPVCNPT-QGZVFWFLSA-N 1 2 337.483 3.993 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534111 1135024512 /nfs/dbraw/zinc/02/45/12/1135024512.db2.gz CRMANBJOTFENMT-DNVCBOLYSA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534111 1135024517 /nfs/dbraw/zinc/02/45/17/1135024517.db2.gz CRMANBJOTFENMT-DNVCBOLYSA-N 1 2 327.424 3.992 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccc(C2OCCO2)c1 ZINC000794214754 1135033336 /nfs/dbraw/zinc/03/33/36/1135033336.db2.gz YNCIXUPBQYDPKK-UHFFFAOYSA-N 1 2 349.390 3.683 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000775537835 1135039007 /nfs/dbraw/zinc/03/90/07/1135039007.db2.gz QFMDANLEOLISQI-HOCLYGCPSA-N 1 2 329.444 3.625 20 0 EHADLO CCCOc1nc2ccccc2cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129479798 1135068714 /nfs/dbraw/zinc/06/87/14/1135068714.db2.gz AWAZYZKWWOTDBC-UHFFFAOYSA-N 1 2 346.390 3.924 20 0 EHADLO Cc1c(F)c(Br)ccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129482654 1135069791 /nfs/dbraw/zinc/06/97/91/1135069791.db2.gz VXZGTLYSENCOTJ-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1)C1CCCC1 ZINC001192918007 1135073310 /nfs/dbraw/zinc/07/33/10/1135073310.db2.gz IRBFEXXJFHKPLT-UHFFFAOYSA-N 1 2 334.891 3.878 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1)C1CCCC1 ZINC001192918007 1135073314 /nfs/dbraw/zinc/07/33/14/1135073314.db2.gz IRBFEXXJFHKPLT-UHFFFAOYSA-N 1 2 334.891 3.878 20 0 EHADLO CCOC(=O)C[N@H+](CC[C@H](O)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001192965311 1135084168 /nfs/dbraw/zinc/08/41/68/1135084168.db2.gz PFESULNNZMHOMY-PXNSSMCTSA-N 1 2 341.451 3.736 20 0 EHADLO CCOC(=O)C[N@@H+](CC[C@H](O)c1ccccc1)[C@@H](C)c1ccccc1 ZINC001192965311 1135084175 /nfs/dbraw/zinc/08/41/75/1135084175.db2.gz PFESULNNZMHOMY-PXNSSMCTSA-N 1 2 341.451 3.736 20 0 EHADLO CC(C)=CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001192966244 1135084845 /nfs/dbraw/zinc/08/48/45/1135084845.db2.gz WEJZEXNYEUTYGY-OAHLLOKOSA-N 1 2 326.362 3.535 20 0 EHADLO CC(C)=CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001192966244 1135084852 /nfs/dbraw/zinc/08/48/52/1135084852.db2.gz WEJZEXNYEUTYGY-OAHLLOKOSA-N 1 2 326.362 3.535 20 0 EHADLO C[C@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977605 1135086576 /nfs/dbraw/zinc/08/65/76/1135086576.db2.gz XPQDBSLKMIIULB-NHYWBVRUSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977605 1135086581 /nfs/dbraw/zinc/08/65/81/1135086581.db2.gz XPQDBSLKMIIULB-NHYWBVRUSA-N 1 2 332.797 3.896 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OCc2ccccc2)cn1 ZINC001129594595 1135117781 /nfs/dbraw/zinc/11/77/81/1135117781.db2.gz UWNVSIYABFYOFP-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO C[C@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001193355111 1135128871 /nfs/dbraw/zinc/12/88/71/1135128871.db2.gz MOTGHZRQDWODEF-GFCCVEGCSA-N 1 2 340.414 3.842 20 0 EHADLO C[C@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001193355111 1135128874 /nfs/dbraw/zinc/12/88/74/1135128874.db2.gz MOTGHZRQDWODEF-GFCCVEGCSA-N 1 2 340.414 3.842 20 0 EHADLO CCCCCNC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001193357834 1135129462 /nfs/dbraw/zinc/12/94/62/1135129462.db2.gz YPZYOWANJUTBAE-UHFFFAOYSA-N 1 2 334.851 3.574 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cn2ccc3ccc(Cl)cc32)c[nH+]1 ZINC001129714322 1135142950 /nfs/dbraw/zinc/14/29/50/1135142950.db2.gz NXHOKCWOANHKLJ-UHFFFAOYSA-N 1 2 327.815 3.623 20 0 EHADLO C[C@H]1C[C@H]1N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001129766014 1135153640 /nfs/dbraw/zinc/15/36/40/1135153640.db2.gz QFOARUYUZITPDG-OXJNMPFZSA-N 1 2 331.419 3.987 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1F)OC1CCCCC1 ZINC001193650237 1135166691 /nfs/dbraw/zinc/16/66/91/1135166691.db2.gz KAKFAIYJBOWYNH-UHFFFAOYSA-N 1 2 331.391 3.629 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(Oc3ccccn3)c2)c[nH+]1 ZINC001129841972 1135169308 /nfs/dbraw/zinc/16/93/08/1135169308.db2.gz OYEBKXHGAJIVMW-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001193797717 1135186514 /nfs/dbraw/zinc/18/65/14/1135186514.db2.gz OCCLDUSOVZCOBB-HXUWFJFHSA-N 1 2 336.414 3.646 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001193797717 1135186517 /nfs/dbraw/zinc/18/65/17/1135186517.db2.gz OCCLDUSOVZCOBB-HXUWFJFHSA-N 1 2 336.414 3.646 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001194036908 1135218669 /nfs/dbraw/zinc/21/86/69/1135218669.db2.gz VVCRYAANNFMWEG-UHFFFAOYSA-N 1 2 332.787 3.777 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000805016728 1135224395 /nfs/dbraw/zinc/22/43/95/1135224395.db2.gz VWBHGHSMKBZKHR-LAUBAEHRSA-N 1 2 349.478 3.795 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(F)c(C(F)(F)F)cc1F ZINC000805459432 1135274548 /nfs/dbraw/zinc/27/45/48/1135274548.db2.gz LOVKXYXNFOGWJN-CYBMUJFWSA-N 1 2 337.288 3.511 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(F)c(C(F)(F)F)cc1F ZINC000805459432 1135274550 /nfs/dbraw/zinc/27/45/50/1135274550.db2.gz LOVKXYXNFOGWJN-CYBMUJFWSA-N 1 2 337.288 3.511 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)OCC(CC)CC ZINC001194688373 1135306692 /nfs/dbraw/zinc/30/66/92/1135306692.db2.gz SWTVMCLJUQHVPL-UHFFFAOYSA-N 1 2 346.431 3.823 20 0 EHADLO CCOC1CC(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000805997932 1135369883 /nfs/dbraw/zinc/36/98/83/1135369883.db2.gz HWGAGNIHXXISJL-UHFFFAOYSA-N 1 2 340.423 3.607 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000775641889 1135381227 /nfs/dbraw/zinc/38/12/27/1135381227.db2.gz LIKQJXGBVPYVQY-MRVPVSSYSA-N 1 2 348.166 3.710 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000775641889 1135381230 /nfs/dbraw/zinc/38/12/30/1135381230.db2.gz LIKQJXGBVPYVQY-MRVPVSSYSA-N 1 2 348.166 3.710 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1cn(-c2ccccc2)nn1 ZINC000806147495 1135400758 /nfs/dbraw/zinc/40/07/58/1135400758.db2.gz JXBCBENHLDFPRI-SWLSCSKDSA-N 1 2 339.830 3.654 20 0 EHADLO Cc1ccc2c(Nc3ccccc3S(=O)(=O)N(C)C)cccc2[nH+]1 ZINC001195586800 1135439188 /nfs/dbraw/zinc/43/91/88/1135439188.db2.gz SMPSVXSTEGTVIY-UHFFFAOYSA-N 1 2 341.436 3.537 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195910253 1135489177 /nfs/dbraw/zinc/48/91/77/1135489177.db2.gz LVJRZQIBEVGLGQ-UHFFFAOYSA-N 1 2 344.418 3.541 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=S)Nc3cc(F)ccc3C)n2c1 ZINC001195923010 1135491757 /nfs/dbraw/zinc/49/17/57/1135491757.db2.gz PONRFUQYWBKZMX-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001137939332 1135508622 /nfs/dbraw/zinc/50/86/22/1135508622.db2.gz QSHRTWHHSVVMGB-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001137939332 1135508626 /nfs/dbraw/zinc/50/86/26/1135508626.db2.gz QSHRTWHHSVVMGB-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC001196263322 1135537829 /nfs/dbraw/zinc/53/78/29/1135537829.db2.gz OGORPUDAQSRNDS-CYBMUJFWSA-N 1 2 344.368 3.591 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)NC[C@@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000747400783 1135552294 /nfs/dbraw/zinc/55/22/94/1135552294.db2.gz NUSBQYBFGXVLOG-KZJSRBBCSA-N 1 2 349.434 3.511 20 0 EHADLO CCC(C)(C)c1noc(C2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000867175596 1135562665 /nfs/dbraw/zinc/56/26/65/1135562665.db2.gz MZKGAVPVRZSLNU-UHFFFAOYSA-N 1 2 334.489 3.902 20 0 EHADLO S=C(Nc1ccc(Br)cc1)Nc1ccc2[nH+]ccn2c1 ZINC001196594499 1135581465 /nfs/dbraw/zinc/58/14/65/1135581465.db2.gz VWUHPEPRLDFFIY-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001196575189 1135584853 /nfs/dbraw/zinc/58/48/53/1135584853.db2.gz RRLRFFWNEZCXDT-HHXXYDBFSA-N 1 2 335.875 3.840 20 0 EHADLO OC1(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCCC1 ZINC000775730738 1135591194 /nfs/dbraw/zinc/59/11/94/1135591194.db2.gz GYRCKKKJCVGIHC-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO OC1(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCCC1 ZINC000775730738 1135591199 /nfs/dbraw/zinc/59/11/99/1135591199.db2.gz GYRCKKKJCVGIHC-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO FC(F)Sc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000747450245 1135609379 /nfs/dbraw/zinc/60/93/79/1135609379.db2.gz MJLOZCAWJQLZRO-UHFFFAOYSA-N 1 2 338.423 3.912 20 0 EHADLO Cc1cc(OC(C)C)ccc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001196787306 1135609437 /nfs/dbraw/zinc/60/94/37/1135609437.db2.gz NYHWNQQFCNHPLU-UHFFFAOYSA-N 1 2 327.428 3.634 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808165938 1135620604 /nfs/dbraw/zinc/62/06/04/1135620604.db2.gz HNPRIURUOVCYKY-IBGZPJMESA-N 1 2 349.434 3.827 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808165938 1135620606 /nfs/dbraw/zinc/62/06/06/1135620606.db2.gz HNPRIURUOVCYKY-IBGZPJMESA-N 1 2 349.434 3.827 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808137276 1135622460 /nfs/dbraw/zinc/62/24/60/1135622460.db2.gz YDBQLVJGOAGHQL-GUYCJALGSA-N 1 2 341.480 3.629 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808137276 1135622465 /nfs/dbraw/zinc/62/24/65/1135622465.db2.gz YDBQLVJGOAGHQL-GUYCJALGSA-N 1 2 341.480 3.629 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808185522 1135627299 /nfs/dbraw/zinc/62/72/99/1135627299.db2.gz JAIMIUSTSGUCTA-UHFFFAOYSA-N 1 2 337.423 3.659 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808185522 1135627302 /nfs/dbraw/zinc/62/73/02/1135627302.db2.gz JAIMIUSTSGUCTA-UHFFFAOYSA-N 1 2 337.423 3.659 20 0 EHADLO S=C(Nc1cccc(Br)c1)Nc1cc[nH+]c2c1CCC2 ZINC001196979988 1135636187 /nfs/dbraw/zinc/63/61/87/1135636187.db2.gz KUXGEXNDDJYBKJ-UHFFFAOYSA-N 1 2 348.269 3.564 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230421 1135638670 /nfs/dbraw/zinc/63/86/70/1135638670.db2.gz IXYQRXSWVPPTLG-CQSZACIVSA-N 1 2 332.448 3.622 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230421 1135638673 /nfs/dbraw/zinc/63/86/73/1135638673.db2.gz IXYQRXSWVPPTLG-CQSZACIVSA-N 1 2 332.448 3.622 20 0 EHADLO CCOc1ccc(C)c(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001197141869 1135649699 /nfs/dbraw/zinc/64/96/99/1135649699.db2.gz TUPLSIMNABORKE-UHFFFAOYSA-N 1 2 349.434 3.852 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cc2cnccc2o1 ZINC001197229424 1135661986 /nfs/dbraw/zinc/66/19/86/1135661986.db2.gz FMJHMXIORWZVQY-LLVKDONJSA-N 1 2 339.424 3.536 20 0 EHADLO Fc1cccc(NC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001197641759 1135715242 /nfs/dbraw/zinc/71/52/42/1135715242.db2.gz ZENNOLBEPGSBEM-UHFFFAOYSA-N 1 2 326.400 3.879 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2Cc2nc(C(F)(F)F)cs2)[nH+]c1C ZINC001197711008 1135728586 /nfs/dbraw/zinc/72/85/86/1135728586.db2.gz QHAGWPGJXLZNOL-SNVBAGLBSA-N 1 2 330.379 3.839 20 0 EHADLO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000808796147 1135739934 /nfs/dbraw/zinc/73/99/34/1135739934.db2.gz FLYUVGJFAMBOCP-CQSZACIVSA-N 1 2 336.785 3.738 20 0 EHADLO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000808796147 1135739939 /nfs/dbraw/zinc/73/99/39/1135739939.db2.gz FLYUVGJFAMBOCP-CQSZACIVSA-N 1 2 336.785 3.738 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198313807 1135798980 /nfs/dbraw/zinc/79/89/80/1135798980.db2.gz FDVUUBMLZQHRFM-UHFFFAOYSA-N 1 2 347.484 3.817 20 0 EHADLO FC1(F)CC[C@H](Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000809303168 1135817221 /nfs/dbraw/zinc/81/72/21/1135817221.db2.gz QQTRKWJIJGTZBN-CYBMUJFWSA-N 1 2 344.365 3.959 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCNC(=O)OC(C)(C)C)nc2c1 ZINC000809566577 1135851501 /nfs/dbraw/zinc/85/15/01/1135851501.db2.gz NZCPLWZSMIUCRP-MRXNPFEDSA-N 1 2 344.459 3.533 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCNC(=O)OC(C)(C)C)nc2c1 ZINC000809566577 1135851505 /nfs/dbraw/zinc/85/15/05/1135851505.db2.gz NZCPLWZSMIUCRP-MRXNPFEDSA-N 1 2 344.459 3.533 20 0 EHADLO c1nc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)sc1C1OCCO1 ZINC000809550844 1135855313 /nfs/dbraw/zinc/85/53/13/1135855313.db2.gz NOIILDOAQGFXLT-INIZCTEOSA-N 1 2 342.464 3.840 20 0 EHADLO c1nc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)sc1C1OCCO1 ZINC000809550844 1135855317 /nfs/dbraw/zinc/85/53/17/1135855317.db2.gz NOIILDOAQGFXLT-INIZCTEOSA-N 1 2 342.464 3.840 20 0 EHADLO CCSCc1cc[nH+]c(NC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000809629238 1135862374 /nfs/dbraw/zinc/86/23/74/1135862374.db2.gz JEBHYJJGJQCXOW-UHFFFAOYSA-N 1 2 337.489 3.802 20 0 EHADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nc2ccccn2c1Br ZINC000809632037 1135862983 /nfs/dbraw/zinc/86/29/83/1135862983.db2.gz LXSLTKPYBLCNFJ-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1occc1Br)Cc1ccccc1 ZINC000809642494 1135864488 /nfs/dbraw/zinc/86/44/88/1135864488.db2.gz GLRXSRNQTSKATF-AWEZNQCLSA-N 1 2 338.245 3.815 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1occc1Br)Cc1ccccc1 ZINC000809642494 1135864493 /nfs/dbraw/zinc/86/44/93/1135864493.db2.gz GLRXSRNQTSKATF-AWEZNQCLSA-N 1 2 338.245 3.815 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000809655716 1135866393 /nfs/dbraw/zinc/86/63/93/1135866393.db2.gz JORPWQNZLMMAQW-XHDPSFHLSA-N 1 2 340.876 3.669 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000809655716 1135866395 /nfs/dbraw/zinc/86/63/95/1135866395.db2.gz JORPWQNZLMMAQW-XHDPSFHLSA-N 1 2 340.876 3.669 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000809692892 1135867107 /nfs/dbraw/zinc/86/71/07/1135867107.db2.gz IZTXBZGSAFPPFO-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+](C)[C@H]1CCCOC1 ZINC000809692892 1135867109 /nfs/dbraw/zinc/86/71/09/1135867109.db2.gz IZTXBZGSAFPPFO-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000809718483 1135877674 /nfs/dbraw/zinc/87/76/74/1135877674.db2.gz KGYKPMUDFSWCLI-QGZVFWFLSA-N 1 2 347.459 3.575 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000809718483 1135877678 /nfs/dbraw/zinc/87/76/78/1135877678.db2.gz KGYKPMUDFSWCLI-QGZVFWFLSA-N 1 2 347.459 3.575 20 0 EHADLO C[C@@H](NC(=O)c1c(O)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000143067082 1135887612 /nfs/dbraw/zinc/88/76/12/1135887612.db2.gz VQIDLPLMBVYEFT-GFCCVEGCSA-N 1 2 341.798 3.722 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1N1CCCCC1 ZINC001199359990 1135900064 /nfs/dbraw/zinc/90/00/64/1135900064.db2.gz MRWWWYGWCRLMKY-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)s1 ZINC000775968648 1135906517 /nfs/dbraw/zinc/90/65/17/1135906517.db2.gz LOJFXOANMCVCBL-STQMWFEESA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)s1 ZINC000775968648 1135906519 /nfs/dbraw/zinc/90/65/19/1135906519.db2.gz LOJFXOANMCVCBL-STQMWFEESA-N 1 2 339.505 3.535 20 0 EHADLO COCCOc1cc(C)ccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC001199598504 1135913867 /nfs/dbraw/zinc/91/38/67/1135913867.db2.gz DHDLJYXZQIZYEA-UHFFFAOYSA-N 1 2 343.452 3.880 20 0 EHADLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001137962350 1135919821 /nfs/dbraw/zinc/91/98/21/1135919821.db2.gz DVMGWHFPHBSFBG-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810126558 1135924502 /nfs/dbraw/zinc/92/45/02/1135924502.db2.gz HDBGUUYSEZBIBK-CQSZACIVSA-N 1 2 342.443 3.561 20 0 EHADLO CC[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1nnc2n1CCCCC2 ZINC001199942133 1135940069 /nfs/dbraw/zinc/94/00/69/1135940069.db2.gz QQERSHYDPPATTE-AWEZNQCLSA-N 1 2 347.532 3.999 20 0 EHADLO CCC(CC)(CNC(=O)C(F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378873 1135960590 /nfs/dbraw/zinc/96/05/90/1135960590.db2.gz JOGRDEQWUZCXSX-TZMCWYRMSA-N 1 2 348.384 3.913 20 0 EHADLO CCC(CC)(CNC(=O)[C@@H](F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378873 1135960592 /nfs/dbraw/zinc/96/05/92/1135960592.db2.gz JOGRDEQWUZCXSX-TZMCWYRMSA-N 1 2 348.384 3.913 20 0 EHADLO CC[C@@H](C)Oc1cc(CNc2ccc(N(C)C)c[nH+]2)ccc1OC ZINC001201180401 1135992644 /nfs/dbraw/zinc/99/26/44/1135992644.db2.gz VKCRZMAYSASMQZ-CQSZACIVSA-N 1 2 329.444 3.946 20 0 EHADLO C[C@@H]1CC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000810693242 1135997637 /nfs/dbraw/zinc/99/76/37/1135997637.db2.gz WBWMCGGNGJBJKM-GPMSIDNRSA-N 1 2 326.440 3.842 20 0 EHADLO Nc1ccc(Nc2ccccc2NC(=O)c2cccnc2Cl)c[nH+]1 ZINC001201284648 1136001079 /nfs/dbraw/zinc/00/10/79/1136001079.db2.gz VEDDVBMAKIWCNI-UHFFFAOYSA-N 1 2 339.786 3.708 20 0 EHADLO Nc1ccc(Nc2ccc(Cl)c(I)c2)c[nH+]1 ZINC001201292479 1136001550 /nfs/dbraw/zinc/00/15/50/1136001550.db2.gz ONEQXVPGZHNKLN-UHFFFAOYSA-N 1 2 345.571 3.665 20 0 EHADLO Br/C(=C\c1ccccc1)CN1CC[NH+](C2CCC2)CC1 ZINC001201450634 1136026384 /nfs/dbraw/zinc/02/63/84/1136026384.db2.gz FOBPAFMBDXYQFV-SSZFMOIBSA-N 1 2 335.289 3.593 20 0 EHADLO CC(C)=CCC[C@@H](C)CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201487683 1136027718 /nfs/dbraw/zinc/02/77/18/1136027718.db2.gz RQSVNAWDAQDTOA-GOSISDBHSA-N 1 2 330.520 3.677 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3ccc(C)c(F)c3)[nH+]c12 ZINC000747660217 1136027767 /nfs/dbraw/zinc/02/77/67/1136027767.db2.gz UPYFGTWRRAECGZ-UHFFFAOYSA-N 1 2 342.443 3.619 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001132624254 1136047379 /nfs/dbraw/zinc/04/73/79/1136047379.db2.gz VDXSNCHCKCDFKX-MRXNPFEDSA-N 1 2 335.234 3.910 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001132624254 1136047381 /nfs/dbraw/zinc/04/73/81/1136047381.db2.gz VDXSNCHCKCDFKX-MRXNPFEDSA-N 1 2 335.234 3.910 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1cscc1Cl)c1ccccc1Cl ZINC001201727478 1136055640 /nfs/dbraw/zinc/05/56/40/1136055640.db2.gz REUNTJFRJMIOEL-ZDUSSCGKSA-N 1 2 329.252 3.761 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000811702142 1136127977 /nfs/dbraw/zinc/12/79/77/1136127977.db2.gz WUIGYJJOOWIFCZ-UHFFFAOYSA-N 1 2 338.436 3.699 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@@H](C)CC3)c(=O)cc2C)cc1 ZINC000811738978 1136132990 /nfs/dbraw/zinc/13/29/90/1136132990.db2.gz BAQWBPHQFYVLGA-OAHLLOKOSA-N 1 2 325.456 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@@H](C)CC3)c(=O)cc2C)cc1 ZINC000811738978 1136132992 /nfs/dbraw/zinc/13/29/92/1136132992.db2.gz BAQWBPHQFYVLGA-OAHLLOKOSA-N 1 2 325.456 3.607 20 0 EHADLO c1csc(-c2ccn(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000811790833 1136141005 /nfs/dbraw/zinc/14/10/05/1136141005.db2.gz OJZMBKJPXBSLGD-DOTOQJQBSA-N 1 2 329.469 3.603 20 0 EHADLO c1csc(-c2ccn(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000811790833 1136141009 /nfs/dbraw/zinc/14/10/09/1136141009.db2.gz OJZMBKJPXBSLGD-DOTOQJQBSA-N 1 2 329.469 3.603 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1=S ZINC000811794060 1136141377 /nfs/dbraw/zinc/14/13/77/1136141377.db2.gz YORZPYGYMBTSHY-SJORKVTESA-N 1 2 343.496 3.700 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1=S ZINC000811794060 1136141381 /nfs/dbraw/zinc/14/13/81/1136141381.db2.gz YORZPYGYMBTSHY-SJORKVTESA-N 1 2 343.496 3.700 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ncsc2c1 ZINC001133032515 1136146469 /nfs/dbraw/zinc/14/64/69/1136146469.db2.gz DBOLTCSKOTVVCG-QGZVFWFLSA-N 1 2 348.431 3.664 20 0 EHADLO Cc1nc2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)cc2o1 ZINC001133033061 1136146663 /nfs/dbraw/zinc/14/66/63/1136146663.db2.gz PKPWOFSEXMOXGC-SFHVURJKSA-N 1 2 346.390 3.504 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867619 1136154523 /nfs/dbraw/zinc/15/45/23/1136154523.db2.gz ZSWSACMNLHIXDI-YPMHNXCESA-N 1 2 326.387 3.625 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867619 1136154525 /nfs/dbraw/zinc/15/45/25/1136154525.db2.gz ZSWSACMNLHIXDI-YPMHNXCESA-N 1 2 326.387 3.625 20 0 EHADLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCCC1 ZINC000265926365 1136166719 /nfs/dbraw/zinc/16/67/19/1136166719.db2.gz LEHWZISASMWPCK-UHFFFAOYSA-N 1 2 342.443 3.759 20 0 EHADLO CCCCCCOCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107479847 1136170334 /nfs/dbraw/zinc/17/03/34/1136170334.db2.gz QOAZMYIZHMDSSM-UHFFFAOYSA-N 1 2 347.503 3.675 20 0 EHADLO O[C@@H](c1ccccc1)[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000850307855 1136233575 /nfs/dbraw/zinc/23/35/75/1136233575.db2.gz RCHWQFQLYJZXJM-RTWAWAEBSA-N 1 2 348.450 3.568 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812797120 1136252733 /nfs/dbraw/zinc/25/27/33/1136252733.db2.gz UCRWIXSPHMKEAU-UHFFFAOYSA-N 1 2 341.798 3.730 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ncc(Br)s1 ZINC000850527799 1136278355 /nfs/dbraw/zinc/27/83/55/1136278355.db2.gz HLYVTJNXDLNIFO-XXILOJSOSA-N 1 2 339.258 3.735 20 0 EHADLO C/C(=C\C(=O)OCCOCCCc1cccc(C)[nH+]1)c1ccco1 ZINC000850840212 1136310514 /nfs/dbraw/zinc/31/05/14/1136310514.db2.gz MHTDOGKDXKUMDT-CCEZHUSRSA-N 1 2 329.396 3.579 20 0 EHADLO O=S(=O)(c1sccc1F)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000338931548 1136341638 /nfs/dbraw/zinc/34/16/38/1136341638.db2.gz SFWXWXYXZFSDJD-UHFFFAOYSA-N 1 2 348.424 3.678 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170709622 1136350663 /nfs/dbraw/zinc/35/06/63/1136350663.db2.gz BYCHIBPFQWLGOE-MHORFTMASA-N 1 2 329.484 3.964 20 0 EHADLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OC(C)(C)C ZINC001170709588 1136350927 /nfs/dbraw/zinc/35/09/27/1136350927.db2.gz BUBMYLBDYYFPIE-LJIZCISZSA-N 1 2 339.520 3.925 20 0 EHADLO CC[C@H](CC(F)F)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401273 1136376957 /nfs/dbraw/zinc/37/69/57/1136376957.db2.gz IZFMAVWUNGABKX-CQSZACIVSA-N 1 2 326.387 3.523 20 0 EHADLO CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cc(OC)cc(OC)c1 ZINC000851474222 1136383424 /nfs/dbraw/zinc/38/34/24/1136383424.db2.gz VUJIBUXDFKFXOQ-DYVFJYSZSA-N 1 2 332.400 3.546 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918936 1136419764 /nfs/dbraw/zinc/41/97/64/1136419764.db2.gz GELIZSRZFLHLLE-IOASZLSFSA-N 1 2 329.362 3.646 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918936 1136419767 /nfs/dbraw/zinc/41/97/67/1136419767.db2.gz GELIZSRZFLHLLE-IOASZLSFSA-N 1 2 329.362 3.646 20 0 EHADLO O=C1CC[C@H](C[NH2+]C2(c3noc(C4CCCC4)n3)CCCCCC2)O1 ZINC000851936378 1136421484 /nfs/dbraw/zinc/42/14/84/1136421484.db2.gz ZHWPJURDXSGQAG-OAHLLOKOSA-N 1 2 347.459 3.572 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cn3nc(N(C)C)sc3=S)C2)cc1 ZINC000814225639 1136425724 /nfs/dbraw/zinc/42/57/24/1136425724.db2.gz URFRJBIWYNJFEF-HNNXBMFYSA-N 1 2 348.541 3.749 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cn3nc(N(C)C)sc3=S)C2)cc1 ZINC000814225639 1136425727 /nfs/dbraw/zinc/42/57/27/1136425727.db2.gz URFRJBIWYNJFEF-HNNXBMFYSA-N 1 2 348.541 3.749 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)OC ZINC000338941862 1136435882 /nfs/dbraw/zinc/43/58/82/1136435882.db2.gz DZTDBLUSTXSIOB-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)OC ZINC000338941862 1136435885 /nfs/dbraw/zinc/43/58/85/1136435885.db2.gz DZTDBLUSTXSIOB-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CC1(C)OC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156773 1136437285 /nfs/dbraw/zinc/43/72/85/1136437285.db2.gz QUYFKJBTLRSZCY-CZUORRHYSA-N 1 2 349.862 3.895 20 0 EHADLO CC1(C)OC[C@@H](C[N@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1 ZINC000852156773 1136437287 /nfs/dbraw/zinc/43/72/87/1136437287.db2.gz QUYFKJBTLRSZCY-CZUORRHYSA-N 1 2 349.862 3.895 20 0 EHADLO CCN(c1ccc(NC(=O)C[NH2+][C@@H](C)c2cscn2)cc1)C(C)C ZINC000852418801 1136454887 /nfs/dbraw/zinc/45/48/87/1136454887.db2.gz FPRSRKFYMWWOGW-AWEZNQCLSA-N 1 2 346.500 3.667 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000852533634 1136463701 /nfs/dbraw/zinc/46/37/01/1136463701.db2.gz VLVISHMPJSEUHZ-VIFPVBQESA-N 1 2 327.753 3.664 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CCF)C2)c1Cl ZINC000852533634 1136463704 /nfs/dbraw/zinc/46/37/04/1136463704.db2.gz VLVISHMPJSEUHZ-VIFPVBQESA-N 1 2 327.753 3.664 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000852771743 1136485028 /nfs/dbraw/zinc/48/50/28/1136485028.db2.gz CKOKDWAEQDVIQW-GOSISDBHSA-N 1 2 330.863 3.611 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)Nc1cccnc1Cl ZINC000814641297 1136487836 /nfs/dbraw/zinc/48/78/36/1136487836.db2.gz FBSUYFXAQXMMJY-HNNXBMFYSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)Nc1cccnc1Cl ZINC000814641297 1136487838 /nfs/dbraw/zinc/48/78/38/1136487838.db2.gz FBSUYFXAQXMMJY-HNNXBMFYSA-N 1 2 329.831 3.553 20 0 EHADLO COc1c(O)cccc1C[NH2+]Cc1ccsc1Br ZINC000338953741 1136494904 /nfs/dbraw/zinc/49/49/04/1136494904.db2.gz LKRWZBWAJMYDHT-UHFFFAOYSA-N 1 2 328.231 3.515 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000853125256 1136512367 /nfs/dbraw/zinc/51/23/67/1136512367.db2.gz OQLFYMBYUJHLIY-GFCCVEGCSA-N 1 2 336.220 3.754 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](C3CCC3)C2)nc1-c1ccco1 ZINC000853588929 1136547132 /nfs/dbraw/zinc/54/71/32/1136547132.db2.gz JFUFANOHOZZRTM-AWEZNQCLSA-N 1 2 332.473 3.681 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](C3CCC3)C2)nc1-c1ccco1 ZINC000853588929 1136547135 /nfs/dbraw/zinc/54/71/35/1136547135.db2.gz JFUFANOHOZZRTM-AWEZNQCLSA-N 1 2 332.473 3.681 20 0 EHADLO Cc1nn(C[N@@H+]2CCCC[C@H]2CC2CCC2)c(=O)c2ccccc12 ZINC000853604511 1136548342 /nfs/dbraw/zinc/54/83/42/1136548342.db2.gz FREBAEYEQOGBMP-KRWDZBQOSA-N 1 2 325.456 3.707 20 0 EHADLO Cc1nn(C[N@H+]2CCCC[C@H]2CC2CCC2)c(=O)c2ccccc12 ZINC000853604511 1136548345 /nfs/dbraw/zinc/54/83/45/1136548345.db2.gz FREBAEYEQOGBMP-KRWDZBQOSA-N 1 2 325.456 3.707 20 0 EHADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000853627038 1136550564 /nfs/dbraw/zinc/55/05/64/1136550564.db2.gz MMXFZUQZDSKZLL-AWEZNQCLSA-N 1 2 343.500 3.746 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000853627038 1136550567 /nfs/dbraw/zinc/55/05/67/1136550567.db2.gz MMXFZUQZDSKZLL-AWEZNQCLSA-N 1 2 343.500 3.746 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1 ZINC000815146243 1136562146 /nfs/dbraw/zinc/56/21/46/1136562146.db2.gz OLWZZPMOQGMHHJ-MRXNPFEDSA-N 1 2 345.361 3.544 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1 ZINC000815146243 1136562148 /nfs/dbraw/zinc/56/21/48/1136562148.db2.gz OLWZZPMOQGMHHJ-MRXNPFEDSA-N 1 2 345.361 3.544 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cccc3nsnc31)CC2 ZINC000815260146 1136574317 /nfs/dbraw/zinc/57/43/17/1136574317.db2.gz KTAHSMWWKCAINV-UHFFFAOYSA-N 1 2 345.855 3.912 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cccc3nsnc31)CC2 ZINC000815260146 1136574319 /nfs/dbraw/zinc/57/43/19/1136574319.db2.gz KTAHSMWWKCAINV-UHFFFAOYSA-N 1 2 345.855 3.912 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000338958161 1136587725 /nfs/dbraw/zinc/58/77/25/1136587725.db2.gz SHJCUUKHIKEWPW-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1cc(C)ccc1F ZINC000338958161 1136587726 /nfs/dbraw/zinc/58/77/26/1136587726.db2.gz SHJCUUKHIKEWPW-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccccc2OCC2CCCC2)no1 ZINC000854148493 1136592451 /nfs/dbraw/zinc/59/24/51/1136592451.db2.gz QRVYNWXTVCCMIY-INIZCTEOSA-N 1 2 345.443 3.730 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NOC3CC[NH+](C)CC3)CCCC2)cc1 ZINC000854356459 1136610276 /nfs/dbraw/zinc/61/02/76/1136610276.db2.gz ADMBKSVZKDAJRT-UHFFFAOYSA-N 1 2 344.499 3.764 20 0 EHADLO Cc1cccc2c(CCC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c[nH]c21 ZINC000265969331 1136633015 /nfs/dbraw/zinc/63/30/15/1136633015.db2.gz URSLEGMPYMBGNF-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@H]1c1cccs1 ZINC001135280313 1136653060 /nfs/dbraw/zinc/65/30/60/1136653060.db2.gz SHHWQXFKJWBVSJ-HNNXBMFYSA-N 1 2 339.420 3.617 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000265973167 1136658355 /nfs/dbraw/zinc/65/83/55/1136658355.db2.gz JMXQKAZIVOSWBH-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000265973167 1136658356 /nfs/dbraw/zinc/65/83/56/1136658356.db2.gz JMXQKAZIVOSWBH-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](C4CC4)C3)c2cc1C(C)C ZINC000776801209 1136681195 /nfs/dbraw/zinc/68/11/95/1136681195.db2.gz RMYRLOSYCCZTIK-HXUWFJFHSA-N 1 2 341.451 3.836 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](C4CC4)C3)c2cc1C(C)C ZINC000776801209 1136681197 /nfs/dbraw/zinc/68/11/97/1136681197.db2.gz RMYRLOSYCCZTIK-HXUWFJFHSA-N 1 2 341.451 3.836 20 0 EHADLO CCCCN(Cc1ccccc1F)C(=O)c1cccc2[nH+]ccn21 ZINC000776806109 1136686282 /nfs/dbraw/zinc/68/62/82/1136686282.db2.gz VQEGYZIRDGSGBX-UHFFFAOYSA-N 1 2 325.387 3.916 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(CCc1ccccc1)C1CCCC1 ZINC000776807361 1136687112 /nfs/dbraw/zinc/68/71/12/1136687112.db2.gz SQPYOTYOKBUQMA-UHFFFAOYSA-N 1 2 333.435 3.962 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cnc3ccccc3c2)no1 ZINC000776808832 1136692417 /nfs/dbraw/zinc/69/24/17/1136692417.db2.gz LHJLIGMTMSJAOI-UHFFFAOYSA-N 1 2 325.412 3.828 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3cnn(C)c3Cl)ccc2c1 ZINC000816482481 1136723776 /nfs/dbraw/zinc/72/37/76/1136723776.db2.gz HSNITBCRJNTWJK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3cnn(C)c3Cl)ccc2c1 ZINC000816482481 1136723779 /nfs/dbraw/zinc/72/37/79/1136723779.db2.gz HSNITBCRJNTWJK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO O=C([C@H]1CCCC[C@@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602770 1136725402 /nfs/dbraw/zinc/72/54/02/1136725402.db2.gz FVZHODDGCWLJFA-MSOLQXFVSA-N 1 2 332.513 3.609 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C(C)=C/C(C)(C)C)CC1 ZINC001135665596 1136748362 /nfs/dbraw/zinc/74/83/62/1136748362.db2.gz JZVAPNRNWOATAT-SAPNQHFASA-N 1 2 344.499 3.640 20 0 EHADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1NC(=O)OC(C)(C)C ZINC000856371592 1136781697 /nfs/dbraw/zinc/78/16/97/1136781697.db2.gz TZVVFYIRJFZHCK-UHFFFAOYSA-N 1 2 344.415 3.567 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)Cc2ccccc2Cl)cc(C)[nH+]1 ZINC000817153743 1136782483 /nfs/dbraw/zinc/78/24/83/1136782483.db2.gz DEBRIAVXFPHDQC-CQSZACIVSA-N 1 2 331.847 3.782 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001135853843 1136789641 /nfs/dbraw/zinc/78/96/41/1136789641.db2.gz LCUOXCBXCKISIP-HNNXBMFYSA-N 1 2 346.434 3.921 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001135853843 1136789642 /nfs/dbraw/zinc/78/96/42/1136789642.db2.gz LCUOXCBXCKISIP-HNNXBMFYSA-N 1 2 346.434 3.921 20 0 EHADLO CCCOC(=O)c1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000817301834 1136794662 /nfs/dbraw/zinc/79/46/62/1136794662.db2.gz JHXYLBRILKKKLM-UHFFFAOYSA-N 1 2 341.411 3.587 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370992 1136801252 /nfs/dbraw/zinc/80/12/52/1136801252.db2.gz QIXFCSIDKOVCLD-MRXNPFEDSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370992 1136801253 /nfs/dbraw/zinc/80/12/53/1136801253.db2.gz QIXFCSIDKOVCLD-MRXNPFEDSA-N 1 2 341.430 3.519 20 0 EHADLO O=S(=O)(CC[N@H+](Cc1ccco1)C1CCCC1)C1CCCCC1 ZINC000856721171 1136803032 /nfs/dbraw/zinc/80/30/32/1136803032.db2.gz BOOPQFSKYRJRKM-UHFFFAOYSA-N 1 2 339.501 3.772 20 0 EHADLO O=S(=O)(CC[N@@H+](Cc1ccco1)C1CCCC1)C1CCCCC1 ZINC000856721171 1136803035 /nfs/dbraw/zinc/80/30/35/1136803035.db2.gz BOOPQFSKYRJRKM-UHFFFAOYSA-N 1 2 339.501 3.772 20 0 EHADLO Cn1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c(Cl)n1 ZINC000856776633 1136810268 /nfs/dbraw/zinc/81/02/68/1136810268.db2.gz WPVQDZGVVYIPIK-GFCCVEGCSA-N 1 2 335.732 3.996 20 0 EHADLO Fc1ccc(COC2CC[NH+](Cc3c(F)cncc3F)CC2)cc1 ZINC000930164801 1136813227 /nfs/dbraw/zinc/81/32/27/1136813227.db2.gz XOEQOXMHBYMGEA-UHFFFAOYSA-N 1 2 336.357 3.680 20 0 EHADLO O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccc2[nH+]ccn21 ZINC000776900871 1136819954 /nfs/dbraw/zinc/81/99/54/1136819954.db2.gz REZUIKZBCZBHEZ-UHFFFAOYSA-N 1 2 348.337 3.913 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C(C)(C)c2cccs2)[nH+]1 ZINC000115000814 1136858571 /nfs/dbraw/zinc/85/85/71/1136858571.db2.gz XXCRNKCTPYJSOM-UHFFFAOYSA-N 1 2 347.480 3.922 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1F ZINC001138034815 1136861347 /nfs/dbraw/zinc/86/13/47/1136861347.db2.gz VHGNMFQGLBIQHV-INIZCTEOSA-N 1 2 338.854 3.764 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1F ZINC001138034815 1136861351 /nfs/dbraw/zinc/86/13/51/1136861351.db2.gz VHGNMFQGLBIQHV-INIZCTEOSA-N 1 2 338.854 3.764 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000818194957 1136864816 /nfs/dbraw/zinc/86/48/16/1136864816.db2.gz SYHFETMVCBXLND-UHFFFAOYSA-N 1 2 347.434 3.719 20 0 EHADLO O=C(C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)OCc1ccccc1 ZINC001170898654 1136870088 /nfs/dbraw/zinc/87/00/88/1136870088.db2.gz XQKWHYAQBXYAAS-MRXNPFEDSA-N 1 2 329.827 3.530 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@]1(O)C(F)(F)F ZINC001137656515 1136881153 /nfs/dbraw/zinc/88/11/53/1136881153.db2.gz IJPVPEAFVJOHCX-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@]1(O)C(F)(F)F ZINC001137656515 1136881156 /nfs/dbraw/zinc/88/11/56/1136881156.db2.gz IJPVPEAFVJOHCX-ZANVPECISA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512939 1136903380 /nfs/dbraw/zinc/90/33/80/1136903380.db2.gz POEHNDAZEOIQLJ-FXAWDEMLSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512939 1136903382 /nfs/dbraw/zinc/90/33/82/1136903382.db2.gz POEHNDAZEOIQLJ-FXAWDEMLSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)N1CCc2ccccc21 ZINC001136185509 1136911299 /nfs/dbraw/zinc/91/12/99/1136911299.db2.gz BOWFDZWUCFSSIQ-MRXNPFEDSA-N 1 2 346.434 3.652 20 0 EHADLO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000857865688 1136915336 /nfs/dbraw/zinc/91/53/36/1136915336.db2.gz NYCFXLBGRUGZOD-SFHVURJKSA-N 1 2 334.423 3.551 20 0 EHADLO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000857865688 1136915340 /nfs/dbraw/zinc/91/53/40/1136915340.db2.gz NYCFXLBGRUGZOD-SFHVURJKSA-N 1 2 334.423 3.551 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000857984808 1136927177 /nfs/dbraw/zinc/92/71/77/1136927177.db2.gz DXHSECYAWCCFKR-HZSPNIEDSA-N 1 2 336.222 3.555 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCn4c[nH+]cc43)c2c1 ZINC000857983603 1136927532 /nfs/dbraw/zinc/92/75/32/1136927532.db2.gz SZKMWLRFKHFHMD-KRWDZBQOSA-N 1 2 346.434 3.800 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014443 1136930996 /nfs/dbraw/zinc/93/09/96/1136930996.db2.gz LHYQWBSJPKZSLI-INIZCTEOSA-N 1 2 329.469 3.631 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014443 1136930997 /nfs/dbraw/zinc/93/09/97/1136930997.db2.gz LHYQWBSJPKZSLI-INIZCTEOSA-N 1 2 329.469 3.631 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCC2(O)CCCCC2)c1 ZINC000819440723 1136939836 /nfs/dbraw/zinc/93/98/36/1136939836.db2.gz VTKALSBIPDOAOH-UHFFFAOYSA-N 1 2 345.512 3.882 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC2(O)CCCCC2)c1 ZINC000819440723 1136939839 /nfs/dbraw/zinc/93/98/39/1136939839.db2.gz VTKALSBIPDOAOH-UHFFFAOYSA-N 1 2 345.512 3.882 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1cc(F)ccc1F ZINC000858143356 1136943690 /nfs/dbraw/zinc/94/36/90/1136943690.db2.gz WEASBJVPOCWECO-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc2[nH+]ccn21 ZINC000777005110 1136944162 /nfs/dbraw/zinc/94/41/62/1136944162.db2.gz MTCVVCPITFOZJE-CQSZACIVSA-N 1 2 325.334 3.575 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccncc1Cl ZINC000858173870 1136946560 /nfs/dbraw/zinc/94/65/60/1136946560.db2.gz IAJNFADWUKGNJT-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCc4cccnc43)c2)[nH+]c1C ZINC000819846178 1136963861 /nfs/dbraw/zinc/96/38/61/1136963861.db2.gz WLYSONABBOARIW-QGZVFWFLSA-N 1 2 332.407 3.757 20 0 EHADLO CCC[C@H](C)CCC[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000858467809 1136970345 /nfs/dbraw/zinc/97/03/45/1136970345.db2.gz UKRZPWJBPSUCOP-JKSUJKDBSA-N 1 2 331.508 3.828 20 0 EHADLO CCC[C@H](C)CCC[C@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000858467807 1136970365 /nfs/dbraw/zinc/97/03/65/1136970365.db2.gz UKRZPWJBPSUCOP-HOTGVXAUSA-N 1 2 331.508 3.828 20 0 EHADLO CC1(C)C[C@H](NC(=O)c2cccc3[nH+]ccn32)c2ccc(F)cc2O1 ZINC000777032259 1136975147 /nfs/dbraw/zinc/97/51/47/1136975147.db2.gz AZQDRDDUIUNDPU-AWEZNQCLSA-N 1 2 339.370 3.506 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)sc1-c1ccccc1 ZINC001136302285 1136976463 /nfs/dbraw/zinc/97/64/63/1136976463.db2.gz CYWZZFHXLJSWOD-AWEZNQCLSA-N 1 2 329.469 3.930 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)sc1-c1ccccc1 ZINC001136302285 1136976464 /nfs/dbraw/zinc/97/64/64/1136976464.db2.gz CYWZZFHXLJSWOD-AWEZNQCLSA-N 1 2 329.469 3.930 20 0 EHADLO Cc1cc(CNc2nc(C)[nH+]c(C)c2Br)cc(Cl)n1 ZINC000858595426 1136981721 /nfs/dbraw/zinc/98/17/21/1136981721.db2.gz SALXCRLACBXHOE-UHFFFAOYSA-N 1 2 341.640 3.825 20 0 EHADLO CCCCCCNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000116260447 1136986539 /nfs/dbraw/zinc/98/65/39/1136986539.db2.gz ARJHOXRGPUZEDE-QGZVFWFLSA-N 1 2 344.503 3.575 20 0 EHADLO C[C@H]1CCN(C(=O)c2sccc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000820861142 1137006816 /nfs/dbraw/zinc/00/68/16/1137006816.db2.gz PZTYTWLCVHEUQN-JQWIXIFHSA-N 1 2 325.384 3.606 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccnc(F)c2)Cc2ccccc21 ZINC000859346012 1137012104 /nfs/dbraw/zinc/01/21/04/1137012104.db2.gz MOFDCBIPLYESSG-QGZVFWFLSA-N 1 2 342.414 3.662 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccnc(F)c2)Cc2ccccc21 ZINC000859346012 1137012105 /nfs/dbraw/zinc/01/21/05/1137012105.db2.gz MOFDCBIPLYESSG-QGZVFWFLSA-N 1 2 342.414 3.662 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)c2)[nH+]c1C ZINC001136399194 1137012711 /nfs/dbraw/zinc/01/27/11/1137012711.db2.gz NBDAMPXRIFQZDH-GTNSWQLSSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001136469379 1137031918 /nfs/dbraw/zinc/03/19/18/1137031918.db2.gz ZWTNAPPEORKXIR-UHFFFAOYSA-N 1 2 347.462 3.817 20 0 EHADLO Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c(Cl)n1 ZINC000859832590 1137033607 /nfs/dbraw/zinc/03/36/07/1137033607.db2.gz JUZUEOSPLSERCM-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)o1 ZINC001136483938 1137035662 /nfs/dbraw/zinc/03/56/62/1137035662.db2.gz HRHSHYNTUCMEHB-UHFFFAOYSA-N 1 2 340.427 3.767 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000821874933 1137041334 /nfs/dbraw/zinc/04/13/34/1137041334.db2.gz DTWUTMUGGAWQNJ-NWANDNLSSA-N 1 2 349.356 3.548 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000821874933 1137041335 /nfs/dbraw/zinc/04/13/35/1137041335.db2.gz DTWUTMUGGAWQNJ-NWANDNLSSA-N 1 2 349.356 3.548 20 0 EHADLO CC(C)Oc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1 ZINC000822733613 1137072196 /nfs/dbraw/zinc/07/21/96/1137072196.db2.gz GKVOYWGCZWNHDA-GOSISDBHSA-N 1 2 335.407 3.911 20 0 EHADLO Cc1cc(NC(=O)CCO[C@@H](C)CC(C)C)ccc1-n1cc[nH+]c1 ZINC001136624614 1137072852 /nfs/dbraw/zinc/07/28/52/1137072852.db2.gz BNXCFAGMPLANMM-INIZCTEOSA-N 1 2 329.444 3.961 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)n1cc[nH+]c1 ZINC000822788807 1137073983 /nfs/dbraw/zinc/07/39/83/1137073983.db2.gz NHYHKIPHDANWEX-NFAWXSAZSA-N 1 2 344.286 3.513 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171005004 1137086376 /nfs/dbraw/zinc/08/63/76/1137086376.db2.gz KWFKQVDQFLQLIL-MRXNPFEDSA-N 1 2 347.455 3.810 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171005004 1137086377 /nfs/dbraw/zinc/08/63/77/1137086377.db2.gz KWFKQVDQFLQLIL-MRXNPFEDSA-N 1 2 347.455 3.810 20 0 EHADLO O=C(OCc1ccc2cc[nH]c2n1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000861030614 1137088386 /nfs/dbraw/zinc/08/83/86/1137088386.db2.gz SARJCUKDXNZPFZ-IBGZPJMESA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccc2cc[nH]c2n1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000861030614 1137088389 /nfs/dbraw/zinc/08/83/89/1137088389.db2.gz SARJCUKDXNZPFZ-IBGZPJMESA-N 1 2 349.434 3.661 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1CC2(CC2(F)F)C1 ZINC000823215866 1137090863 /nfs/dbraw/zinc/09/08/63/1137090863.db2.gz QNFXRSNUKYMXPN-UHFFFAOYSA-N 1 2 341.427 3.503 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000339024866 1137096775 /nfs/dbraw/zinc/09/67/75/1137096775.db2.gz WNXCLXQNGYYUPM-FQEVSTJZSA-N 1 2 326.440 3.793 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000339024866 1137096777 /nfs/dbraw/zinc/09/67/77/1137096777.db2.gz WNXCLXQNGYYUPM-FQEVSTJZSA-N 1 2 326.440 3.793 20 0 EHADLO C/C(=C/c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccc(F)cc1 ZINC000823398100 1137098007 /nfs/dbraw/zinc/09/80/07/1137098007.db2.gz YCYKZMWESXPSFD-FPAJZGIOSA-N 1 2 347.390 3.501 20 0 EHADLO CCC[C@@H](CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001136722983 1137100078 /nfs/dbraw/zinc/10/00/78/1137100078.db2.gz QCANCKNAFQUYPG-IAGOWNOFSA-N 1 2 332.488 3.727 20 0 EHADLO O=C(OCc1cnc(C2CC2)o1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000861375588 1137103506 /nfs/dbraw/zinc/10/35/06/1137103506.db2.gz IXHRFESKBSNLKN-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1cnc(C2CC2)o1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000861375588 1137103507 /nfs/dbraw/zinc/10/35/07/1137103507.db2.gz IXHRFESKBSNLKN-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)cccc3F)CC2)s1 ZINC001136854983 1137132232 /nfs/dbraw/zinc/13/22/32/1137132232.db2.gz QEJJLBBYUBJHKN-UHFFFAOYSA-N 1 2 346.471 3.716 20 0 EHADLO Cc1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)n1 ZINC000862249937 1137135415 /nfs/dbraw/zinc/13/54/15/1137135415.db2.gz ALVICHHMOYCLBA-MRXNPFEDSA-N 1 2 327.453 3.515 20 0 EHADLO Cc1c[nH]c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)n1 ZINC000862249937 1137135416 /nfs/dbraw/zinc/13/54/16/1137135416.db2.gz ALVICHHMOYCLBA-MRXNPFEDSA-N 1 2 327.453 3.515 20 0 EHADLO Cc1[nH]c(CN2CCN(C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000862370139 1137140905 /nfs/dbraw/zinc/14/09/05/1137140905.db2.gz IANQNDWKGOHTPN-UHFFFAOYSA-N 1 2 342.443 3.788 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1C ZINC001136890411 1137140935 /nfs/dbraw/zinc/14/09/35/1137140935.db2.gz MXXNSOASCLVKFO-LRXXLLMYSA-N 1 2 349.478 3.699 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)oc21 ZINC000862506629 1137147510 /nfs/dbraw/zinc/14/75/10/1137147510.db2.gz FKWJOZUZBXYWTL-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)oc21 ZINC000862506629 1137147511 /nfs/dbraw/zinc/14/75/11/1137147511.db2.gz FKWJOZUZBXYWTL-UHFFFAOYSA-N 1 2 335.407 3.667 20 0 EHADLO Cc1ccsc1C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824673355 1137147687 /nfs/dbraw/zinc/14/76/87/1137147687.db2.gz RBXJEIBZMZSHOC-LLVKDONJSA-N 1 2 334.432 3.695 20 0 EHADLO Clc1ccc(Cl)c(SCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000118970905 1137151108 /nfs/dbraw/zinc/15/11/08/1137151108.db2.gz DXUNTWCHJQYHPW-UHFFFAOYSA-N 1 2 334.268 3.534 20 0 EHADLO Clc1ccc(Cl)c(SCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000118970905 1137151110 /nfs/dbraw/zinc/15/11/10/1137151110.db2.gz DXUNTWCHJQYHPW-UHFFFAOYSA-N 1 2 334.268 3.534 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cncc(Cl)c1 ZINC001136995474 1137167384 /nfs/dbraw/zinc/16/73/84/1137167384.db2.gz MXAMPAQZIXMBQR-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cncc(Cl)c1 ZINC001136995474 1137167386 /nfs/dbraw/zinc/16/73/86/1137167386.db2.gz MXAMPAQZIXMBQR-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)ccc1C(F)(F)F ZINC001143352294 1137181481 /nfs/dbraw/zinc/18/14/81/1137181481.db2.gz PRWBNBMXITVEGM-AWEZNQCLSA-N 1 2 337.345 3.841 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)ccc1C(F)(F)F ZINC001143352294 1137181483 /nfs/dbraw/zinc/18/14/83/1137181483.db2.gz PRWBNBMXITVEGM-AWEZNQCLSA-N 1 2 337.345 3.841 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000863375150 1137183843 /nfs/dbraw/zinc/18/38/43/1137183843.db2.gz ZPQKWYSFXAXQEJ-XIRDDKMYSA-N 1 2 345.817 3.594 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)[C@@H](c1ccccc1)C1CCCCC1 ZINC001143631825 1137184748 /nfs/dbraw/zinc/18/47/48/1137184748.db2.gz GTNVQVGWMTVQDV-FQEVSTJZSA-N 1 2 338.451 3.941 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000119481714 1137189548 /nfs/dbraw/zinc/18/95/48/1137189548.db2.gz IUSGWCFQOFZPNX-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000119481714 1137189549 /nfs/dbraw/zinc/18/95/49/1137189549.db2.gz IUSGWCFQOFZPNX-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001143780684 1137199245 /nfs/dbraw/zinc/19/92/45/1137199245.db2.gz DAANAHSVUAGPQS-UHFFFAOYSA-N 1 2 325.252 3.955 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844132735 1137200056 /nfs/dbraw/zinc/20/00/56/1137200056.db2.gz LLQNMUPKCWPKHX-PKOBYXMFSA-N 1 2 325.456 3.883 20 0 EHADLO O=C1NC2(CO1)CC[NH+](Cc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC001143801427 1137200814 /nfs/dbraw/zinc/20/08/14/1137200814.db2.gz TXZLODDHSNDICU-UHFFFAOYSA-N 1 2 349.645 3.721 20 0 EHADLO C[N@H+](CCc1cccnc1)Cc1c(F)ccc(F)c1Br ZINC001143819665 1137201237 /nfs/dbraw/zinc/20/12/37/1137201237.db2.gz IMPRYQBXOYWNFE-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1cccnc1)Cc1c(F)ccc(F)c1Br ZINC001143819665 1137201239 /nfs/dbraw/zinc/20/12/39/1137201239.db2.gz IMPRYQBXOYWNFE-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO O=C1NCCC2(CC[NH+](Cc3c(F)ccc(Cl)c3Cl)CC2)O1 ZINC001143866789 1137206449 /nfs/dbraw/zinc/20/64/49/1137206449.db2.gz KQMATOAMZAOPEF-UHFFFAOYSA-N 1 2 347.217 3.597 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCCOC2)O1 ZINC000794580243 1137209930 /nfs/dbraw/zinc/20/99/30/1137209930.db2.gz ASXAQZYGRTWWCA-KUHUBIRLSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCCOC2)O1 ZINC000794580243 1137209932 /nfs/dbraw/zinc/20/99/32/1137209932.db2.gz ASXAQZYGRTWWCA-KUHUBIRLSA-N 1 2 346.858 3.658 20 0 EHADLO OC[C@H]1CC[N@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143888481 1137210550 /nfs/dbraw/zinc/21/05/50/1137210550.db2.gz ISHLWTVMDCLKPG-QMMMGPOBSA-N 1 2 328.161 3.826 20 0 EHADLO OC[C@H]1CC[N@@H+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)C1 ZINC001143888481 1137210552 /nfs/dbraw/zinc/21/05/52/1137210552.db2.gz ISHLWTVMDCLKPG-QMMMGPOBSA-N 1 2 328.161 3.826 20 0 EHADLO C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cc1cccs1 ZINC000266064441 1137213360 /nfs/dbraw/zinc/21/33/60/1137213360.db2.gz JIONTTMKPSHCPC-HNNXBMFYSA-N 1 2 339.464 3.602 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)[C@@H]2C ZINC001171120574 1137215019 /nfs/dbraw/zinc/21/50/19/1137215019.db2.gz DWZNFCLUQHFWLW-CXAGYDPISA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)[C@@H]2C ZINC001171120574 1137215021 /nfs/dbraw/zinc/21/50/21/1137215021.db2.gz DWZNFCLUQHFWLW-CXAGYDPISA-N 1 2 345.874 3.617 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c(F)c1F ZINC001143917554 1137215024 /nfs/dbraw/zinc/21/50/24/1137215024.db2.gz JRQQYKQKSPHCTQ-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c(F)c1F ZINC001143917554 1137215026 /nfs/dbraw/zinc/21/50/26/1137215026.db2.gz JRQQYKQKSPHCTQ-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cc(NC(=O)c2c(Cl)n[nH]c2C2CC2)ccc1-n1cc[nH+]c1 ZINC001143940036 1137216590 /nfs/dbraw/zinc/21/65/90/1137216590.db2.gz RTGMKHNSPIXXCE-UHFFFAOYSA-N 1 2 341.802 3.687 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1nc2ccc(Cl)cc2n1C)n1cc[nH+]c1 ZINC000844417794 1137219209 /nfs/dbraw/zinc/21/92/09/1137219209.db2.gz PJSWECHJUVWSDG-VXGBXAGGSA-N 1 2 346.818 3.679 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794616693 1137220898 /nfs/dbraw/zinc/22/08/98/1137220898.db2.gz IYAYZRPSOGYMST-UHFFFAOYSA-N 1 2 334.489 3.800 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794616693 1137220900 /nfs/dbraw/zinc/22/09/00/1137220900.db2.gz IYAYZRPSOGYMST-UHFFFAOYSA-N 1 2 334.489 3.800 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452122 1137221160 /nfs/dbraw/zinc/22/11/60/1137221160.db2.gz LSYISFNRUKXNJQ-IXDOHACOSA-N 1 2 346.352 3.702 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452122 1137221161 /nfs/dbraw/zinc/22/11/61/1137221161.db2.gz LSYISFNRUKXNJQ-IXDOHACOSA-N 1 2 346.352 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438372 1137222725 /nfs/dbraw/zinc/22/27/25/1137222725.db2.gz NTLDPNYCMRGMQX-BONVTDFDSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438372 1137222726 /nfs/dbraw/zinc/22/27/26/1137222726.db2.gz NTLDPNYCMRGMQX-BONVTDFDSA-N 1 2 346.780 3.927 20 0 EHADLO Cc1nc2ccc(Nc3ccc(N(C)C4CCCCC4)[nH+]c3)cn2n1 ZINC001212613419 1137244391 /nfs/dbraw/zinc/24/43/91/1137244391.db2.gz SIHWJRHLDBRJNK-UHFFFAOYSA-N 1 2 336.443 3.945 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000844691442 1137244722 /nfs/dbraw/zinc/24/47/22/1137244722.db2.gz MSVYYHGYYQHQFW-CQSZACIVSA-N 1 2 349.887 3.847 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000844691442 1137244723 /nfs/dbraw/zinc/24/47/23/1137244723.db2.gz MSVYYHGYYQHQFW-CQSZACIVSA-N 1 2 349.887 3.847 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000844690891 1137244880 /nfs/dbraw/zinc/24/48/80/1137244880.db2.gz AJGXHKODZRZUNL-UHFFFAOYSA-N 1 2 349.478 3.629 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000844690891 1137244882 /nfs/dbraw/zinc/24/48/82/1137244882.db2.gz AJGXHKODZRZUNL-UHFFFAOYSA-N 1 2 349.478 3.629 20 0 EHADLO C[C@@H]1C[N@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)CCC1(F)F ZINC000844708915 1137247088 /nfs/dbraw/zinc/24/70/88/1137247088.db2.gz PRWZQFFJXHXLOF-GFCCVEGCSA-N 1 2 340.801 3.500 20 0 EHADLO C[C@@H]1C[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)CCC1(F)F ZINC000844708915 1137247089 /nfs/dbraw/zinc/24/70/89/1137247089.db2.gz PRWZQFFJXHXLOF-GFCCVEGCSA-N 1 2 340.801 3.500 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1ccco1 ZINC000120253115 1137248722 /nfs/dbraw/zinc/24/87/22/1137248722.db2.gz OWWXALJYPIVWPX-OAHLLOKOSA-N 1 2 340.452 3.658 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1ccco1 ZINC000120253115 1137248724 /nfs/dbraw/zinc/24/87/24/1137248724.db2.gz OWWXALJYPIVWPX-OAHLLOKOSA-N 1 2 340.452 3.658 20 0 EHADLO Fc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H](Sc4ccncc4)C3)c2c1 ZINC001144199754 1137250418 /nfs/dbraw/zinc/25/04/18/1137250418.db2.gz RTYDXDXZXQNCIK-OAHLLOKOSA-N 1 2 342.443 3.854 20 0 EHADLO Fc1ccc2[nH]nc(C[N@H+]3CCC[C@@H](Sc4ccncc4)C3)c2c1 ZINC001144199754 1137250419 /nfs/dbraw/zinc/25/04/19/1137250419.db2.gz RTYDXDXZXQNCIK-OAHLLOKOSA-N 1 2 342.443 3.854 20 0 EHADLO CSc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000844844100 1137259303 /nfs/dbraw/zinc/25/93/03/1137259303.db2.gz OQECLRSCSUIVEO-AWEZNQCLSA-N 1 2 344.484 3.862 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140743 1137265004 /nfs/dbraw/zinc/26/50/04/1137265004.db2.gz JNNTVXBKQASXTM-SECBINFHSA-N 1 2 345.346 3.634 20 0 EHADLO O=C1SCCN1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000120477598 1137272881 /nfs/dbraw/zinc/27/28/81/1137272881.db2.gz PPVOZCUPZZEHDC-LLVKDONJSA-N 1 2 347.267 3.573 20 0 EHADLO O=C1SCCN1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000120477598 1137272883 /nfs/dbraw/zinc/27/28/83/1137272883.db2.gz PPVOZCUPZZEHDC-LLVKDONJSA-N 1 2 347.267 3.573 20 0 EHADLO CC(C)(C)c1cn(Cc2cccc(C(=O)NCc3ccco3)c2)c[nH+]1 ZINC000865375770 1137278521 /nfs/dbraw/zinc/27/85/21/1137278521.db2.gz NMRWGCQORTVRJM-UHFFFAOYSA-N 1 2 337.423 3.752 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)sc1C ZINC001144375293 1137280349 /nfs/dbraw/zinc/28/03/49/1137280349.db2.gz OLTPJOLLMRPWRB-OCCSQVGLSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)sc1C ZINC001144375293 1137280350 /nfs/dbraw/zinc/28/03/50/1137280350.db2.gz OLTPJOLLMRPWRB-OCCSQVGLSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)sc1C ZINC001144375671 1137280528 /nfs/dbraw/zinc/28/05/28/1137280528.db2.gz WTEWNTTXMNISEJ-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO Cc1nc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)sc1C ZINC001144375671 1137280530 /nfs/dbraw/zinc/28/05/30/1137280530.db2.gz WTEWNTTXMNISEJ-LBPRGKRZSA-N 1 2 339.505 3.591 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865413657 1137281012 /nfs/dbraw/zinc/28/10/12/1137281012.db2.gz SLTZBHXUQROERC-UHFFFAOYSA-N 1 2 338.386 3.834 20 0 EHADLO C[C@H](CC(=O)OCc1csc(Cc2ccccc2)n1)n1cc[nH+]c1 ZINC000845279929 1137283273 /nfs/dbraw/zinc/28/32/73/1137283273.db2.gz FTKNTRFJTVRGFY-CQSZACIVSA-N 1 2 341.436 3.625 20 0 EHADLO CCCn1cc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)nn1 ZINC000865456427 1137285582 /nfs/dbraw/zinc/28/55/82/1137285582.db2.gz KORVEYQEXLSLSS-HXUWFJFHSA-N 1 2 336.439 3.598 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](c2ccccc2)CC1 ZINC000845419920 1137290718 /nfs/dbraw/zinc/29/07/18/1137290718.db2.gz VGGSHMPNMRAYPR-SFHVURJKSA-N 1 2 337.467 3.558 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccnc1Br ZINC000865538198 1137292994 /nfs/dbraw/zinc/29/29/94/1137292994.db2.gz ITKPKXSUWYPVEK-ZDUSSCGKSA-N 1 2 337.192 3.597 20 0 EHADLO COc1ccc([C@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000845457769 1137293429 /nfs/dbraw/zinc/29/34/29/1137293429.db2.gz CLGCTYWCHCSZPM-LBPRGKRZSA-N 1 2 348.830 3.728 20 0 EHADLO C[C@H](CC(=O)O[C@@H]1CCc2cc(Br)ccc21)n1cc[nH+]c1 ZINC000845463950 1137293604 /nfs/dbraw/zinc/29/36/04/1137293604.db2.gz UGJFJQNIBRLKMP-IAQYHMDHSA-N 1 2 349.228 3.827 20 0 EHADLO CC[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1cc(C)ccc1OC ZINC000845500552 1137295403 /nfs/dbraw/zinc/29/54/03/1137295403.db2.gz LHLTXYXQAAIAMR-QGZVFWFLSA-N 1 2 342.439 3.773 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cc(Cl)cc(OC)c3)CC2)c1 ZINC001144478112 1137298001 /nfs/dbraw/zinc/29/80/01/1137298001.db2.gz AWLOORBXCVSATL-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO COc1ccccc1C1([NH2+]Cc2cccnc2Br)CC1 ZINC000865613112 1137298854 /nfs/dbraw/zinc/29/88/54/1137298854.db2.gz QHILOGBIEFRRFH-UHFFFAOYSA-N 1 2 333.229 3.632 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)cc(OC)c1 ZINC001144490016 1137300087 /nfs/dbraw/zinc/30/00/87/1137300087.db2.gz SWXKVNDRVUXIRB-JQFCIGGWSA-N 1 2 337.847 3.512 20 0 EHADLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc(OC)c1 ZINC001144490016 1137300089 /nfs/dbraw/zinc/30/00/89/1137300089.db2.gz SWXKVNDRVUXIRB-JQFCIGGWSA-N 1 2 337.847 3.512 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)c2ccco2)cc1 ZINC000845596697 1137300737 /nfs/dbraw/zinc/30/07/37/1137300737.db2.gz ZDCFFMAIKVKJQQ-KUHUBIRLSA-N 1 2 340.379 3.769 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@H](Cc4ccncc4)C3)nc[nH+]2)cc1 ZINC000865670539 1137303707 /nfs/dbraw/zinc/30/37/07/1137303707.db2.gz ZFRDSKRDILZEHB-LJQANCHMSA-N 1 2 345.450 3.553 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@H](Cc4ccncc4)C3)[nH+]cn2)cc1 ZINC000865670539 1137303710 /nfs/dbraw/zinc/30/37/10/1137303710.db2.gz ZFRDSKRDILZEHB-LJQANCHMSA-N 1 2 345.450 3.553 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)n1 ZINC001144558788 1137309607 /nfs/dbraw/zinc/30/96/07/1137309607.db2.gz DNONOFWJCUSYKF-NSHDSACASA-N 1 2 337.370 3.556 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)n1 ZINC001144558788 1137309610 /nfs/dbraw/zinc/30/96/10/1137309610.db2.gz DNONOFWJCUSYKF-NSHDSACASA-N 1 2 337.370 3.556 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001144561561 1137309902 /nfs/dbraw/zinc/30/99/02/1137309902.db2.gz WXKXZTVUBDTADN-HNNXBMFYSA-N 1 2 328.378 3.882 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001144561561 1137309905 /nfs/dbraw/zinc/30/99/05/1137309905.db2.gz WXKXZTVUBDTADN-HNNXBMFYSA-N 1 2 328.378 3.882 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccccc2OC2CCCC2)n1 ZINC000865808753 1137313314 /nfs/dbraw/zinc/31/33/14/1137313314.db2.gz BWDMIBVDZJMSEU-UHFFFAOYSA-N 1 2 335.398 3.969 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)cc1F ZINC000845958676 1137323677 /nfs/dbraw/zinc/32/36/77/1137323677.db2.gz QJAWDWCRZZSPKG-MRXNPFEDSA-N 1 2 347.434 3.788 20 0 EHADLO COCc1cc[nH+]c(NC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC000846117076 1137334225 /nfs/dbraw/zinc/33/42/25/1137334225.db2.gz KHRCRGLFRPTYHQ-OAHLLOKOSA-N 1 2 337.464 3.579 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)OCCO2 ZINC000866215570 1137335627 /nfs/dbraw/zinc/33/56/27/1137335627.db2.gz KHPOMIAMEHDCQW-ODYMNIRHSA-N 1 2 329.371 3.580 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccn1 ZINC000866222061 1137336047 /nfs/dbraw/zinc/33/60/47/1137336047.db2.gz XSXDCNUUWSVGNV-MRXNPFEDSA-N 1 2 349.360 3.630 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)no1 ZINC001144726150 1137336726 /nfs/dbraw/zinc/33/67/26/1137336726.db2.gz GTIDURQYUBZPAC-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144727124 1137336911 /nfs/dbraw/zinc/33/69/11/1137336911.db2.gz RFJDIGNEPCGOJC-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144727124 1137336914 /nfs/dbraw/zinc/33/69/14/1137336914.db2.gz RFJDIGNEPCGOJC-SNVBAGLBSA-N 1 2 331.790 3.782 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1F ZINC000866235242 1137337368 /nfs/dbraw/zinc/33/73/68/1137337368.db2.gz ZNSNGFDEXLFFAK-SFHVURJKSA-N 1 2 342.393 3.650 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866419826 1137353145 /nfs/dbraw/zinc/35/31/45/1137353145.db2.gz JCAPRIDOAYBYFW-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866419826 1137353147 /nfs/dbraw/zinc/35/31/47/1137353147.db2.gz JCAPRIDOAYBYFW-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO CCc1noc(C)c1[C@@H](C)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000866497824 1137359006 /nfs/dbraw/zinc/35/90/06/1137359006.db2.gz LZTMCVDYFDEEAI-QAPCUYQASA-N 1 2 327.472 3.779 20 0 EHADLO CCc1noc(C)c1[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000866497824 1137359008 /nfs/dbraw/zinc/35/90/08/1137359008.db2.gz LZTMCVDYFDEEAI-QAPCUYQASA-N 1 2 327.472 3.779 20 0 EHADLO CCCCCCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846653929 1137360609 /nfs/dbraw/zinc/36/06/09/1137360609.db2.gz HPCOCEARGSBWRB-BZSNNMDCSA-N 1 2 347.503 3.906 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000846660533 1137360787 /nfs/dbraw/zinc/36/07/87/1137360787.db2.gz GXDOCOQNXDMSIR-MRXNPFEDSA-N 1 2 340.471 3.711 20 0 EHADLO O[C@H](c1ccccc1)C1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846767944 1137364178 /nfs/dbraw/zinc/36/41/78/1137364178.db2.gz RZRXKGOISBUMPI-QGZVFWFLSA-N 1 2 334.822 3.820 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1OC(F)F ZINC000866562823 1137364775 /nfs/dbraw/zinc/36/47/75/1137364775.db2.gz GGPFEESXHXQHIX-VIFPVBQESA-N 1 2 331.313 3.810 20 0 EHADLO COC(=O)/C=C\c1ccc(CNc2[nH+]c3ccccc3n2C2CC2)o1 ZINC000846775719 1137366885 /nfs/dbraw/zinc/36/68/85/1137366885.db2.gz UPRNZEGOHJIYRX-KHPPLWFESA-N 1 2 337.379 3.763 20 0 EHADLO Brc1ccc([C@H]([NH2+]Cc2cnsn2)C2CCC2)cc1 ZINC000846843682 1137371203 /nfs/dbraw/zinc/37/12/03/1137371203.db2.gz AEXLZRRRORINLO-CQSZACIVSA-N 1 2 338.274 3.932 20 0 EHADLO CCc1cc2c(CC(=O)N(C)CCCn3cc[nH+]c3)csc2s1 ZINC000866744276 1137375702 /nfs/dbraw/zinc/37/57/02/1137375702.db2.gz LDVBUXFQISGEIK-UHFFFAOYSA-N 1 2 347.509 3.813 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001146661772 1137392498 /nfs/dbraw/zinc/39/24/98/1137392498.db2.gz NGUICTXEOSUCID-INIZCTEOSA-N 1 2 325.412 3.841 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C(C)(C)C)nc1 ZINC001147802987 1137413083 /nfs/dbraw/zinc/41/30/83/1137413083.db2.gz HKNDZOATMKMRSE-UHFFFAOYSA-N 1 2 348.450 3.837 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)n1 ZINC000348118404 1137442540 /nfs/dbraw/zinc/44/25/40/1137442540.db2.gz YQBFMRIEODOPEW-KBXCAEBGSA-N 1 2 343.496 3.678 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)[nH]1 ZINC000348129893 1137444240 /nfs/dbraw/zinc/44/42/40/1137444240.db2.gz YVFADKWEIHWWBV-GOSISDBHSA-N 1 2 344.430 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)[nH]1 ZINC000348129893 1137444242 /nfs/dbraw/zinc/44/42/42/1137444242.db2.gz YVFADKWEIHWWBV-GOSISDBHSA-N 1 2 344.430 3.635 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4occc4c3)CC2)cc1 ZINC000348136161 1137445007 /nfs/dbraw/zinc/44/50/07/1137445007.db2.gz WYJIEFHDLUQTFR-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000348135753 1137445021 /nfs/dbraw/zinc/44/50/21/1137445021.db2.gz MKCYVOJCKCGEOU-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000348167142 1137449676 /nfs/dbraw/zinc/44/96/76/1137449676.db2.gz CZNGVDDMTHELMM-GFCCVEGCSA-N 1 2 339.826 3.846 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000348167142 1137449677 /nfs/dbraw/zinc/44/96/77/1137449677.db2.gz CZNGVDDMTHELMM-GFCCVEGCSA-N 1 2 339.826 3.846 20 0 EHADLO COCC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000282786380 1137451161 /nfs/dbraw/zinc/45/11/61/1137451161.db2.gz PWIXDWSXEMEQLY-WWNBULGVSA-N 1 2 332.488 3.917 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1)c1ccccc1 ZINC000348221971 1137453599 /nfs/dbraw/zinc/45/35/99/1137453599.db2.gz CCEQTKKJXTZPFW-FVCZOJIISA-N 1 2 344.499 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1)c1ccccc1 ZINC000348221971 1137453600 /nfs/dbraw/zinc/45/36/00/1137453600.db2.gz CCEQTKKJXTZPFW-FVCZOJIISA-N 1 2 344.499 3.532 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC(C)(C)C ZINC001171348904 1137456030 /nfs/dbraw/zinc/45/60/30/1137456030.db2.gz FTSOCDMFRXFBDQ-CJNGLKHVSA-N 1 2 325.399 3.532 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000339092026 1137457706 /nfs/dbraw/zinc/45/77/06/1137457706.db2.gz SORORJJKOVGASO-KRWDZBQOSA-N 1 2 331.435 3.786 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000870123314 1137477859 /nfs/dbraw/zinc/47/78/59/1137477859.db2.gz QBUNCWTZPTVLRV-CQSZACIVSA-N 1 2 341.480 3.540 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000773252155 1137481418 /nfs/dbraw/zinc/48/14/18/1137481418.db2.gz NQPIBYCCUYWXSM-OAHLLOKOSA-N 1 2 347.890 3.676 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000773252155 1137481420 /nfs/dbraw/zinc/48/14/20/1137481420.db2.gz NQPIBYCCUYWXSM-OAHLLOKOSA-N 1 2 347.890 3.676 20 0 EHADLO Cc1cc(C)c(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000773289430 1137486347 /nfs/dbraw/zinc/48/63/47/1137486347.db2.gz CFDCRUXSIREPJV-UHFFFAOYSA-N 1 2 333.435 3.656 20 0 EHADLO CCC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171463587 1137490755 /nfs/dbraw/zinc/49/07/55/1137490755.db2.gz WQLZACNHRRZFMM-YOEHRIQHSA-N 1 2 339.426 3.922 20 0 EHADLO C[C@H](C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21)[NH+]1CCSCC1 ZINC001171498176 1137492103 /nfs/dbraw/zinc/49/21/03/1137492103.db2.gz HQOOEJVRPQMRPZ-WBVHZDCISA-N 1 2 346.540 3.675 20 0 EHADLO Cc1cc(NC2CCN(c3cccnc3)CC2)[nH+]cc1C(F)(F)F ZINC001171466874 1137492339 /nfs/dbraw/zinc/49/23/39/1137492339.db2.gz XXWRCDMMAYGEGM-UHFFFAOYSA-N 1 2 336.361 3.885 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471813 1137492795 /nfs/dbraw/zinc/49/27/95/1137492795.db2.gz VSGSOCYNIYYUAI-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471813 1137492796 /nfs/dbraw/zinc/49/27/96/1137492796.db2.gz VSGSOCYNIYYUAI-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC ZINC001171474991 1137493224 /nfs/dbraw/zinc/49/32/24/1137493224.db2.gz ZZHOXJFYDLBWKO-YOEHRIQHSA-N 1 2 325.399 3.534 20 0 EHADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)[C@@H](C)CC ZINC001171515477 1137495789 /nfs/dbraw/zinc/49/57/89/1137495789.db2.gz JABUCYQOLIYQMH-GSDQYQHOSA-N 1 2 343.389 3.529 20 0 EHADLO C[C@H](c1ccccc1Br)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001171554835 1137497562 /nfs/dbraw/zinc/49/75/62/1137497562.db2.gz PEBMQXZJYLNVJQ-NEPJUHHUSA-N 1 2 345.231 3.535 20 0 EHADLO C[C@H](c1ccccc1Br)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001171554835 1137497564 /nfs/dbraw/zinc/49/75/64/1137497564.db2.gz PEBMQXZJYLNVJQ-NEPJUHHUSA-N 1 2 345.231 3.535 20 0 EHADLO Cc1nc([C@@H]2COCC[N@@H+]2[C@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567157 1137498471 /nfs/dbraw/zinc/49/84/71/1137498471.db2.gz NOTAXTZYKRFURF-LPHOPBHVSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@@H]2COCC[N@H+]2[C@H]2CCc3c(C)cccc3C2)cs1 ZINC001171567157 1137498472 /nfs/dbraw/zinc/49/84/72/1137498472.db2.gz NOTAXTZYKRFURF-LPHOPBHVSA-N 1 2 328.481 3.691 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccc(C(C)C)cc3C2)cc1 ZINC001171815807 1137514828 /nfs/dbraw/zinc/51/48/28/1137514828.db2.gz VRSQXIVSQPBIBT-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCc3ccc(C(C)C)cc3C2)cc1 ZINC001171815807 1137514830 /nfs/dbraw/zinc/51/48/30/1137514830.db2.gz VRSQXIVSQPBIBT-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC(F)(F)C2)CC12CCC2 ZINC001171845015 1137515388 /nfs/dbraw/zinc/51/53/88/1137515388.db2.gz AVWVHIZTOFPKDH-ZDUSSCGKSA-N 1 2 330.419 3.650 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC(F)(F)C2)CC12CCC2 ZINC001171845015 1137515389 /nfs/dbraw/zinc/51/53/89/1137515389.db2.gz AVWVHIZTOFPKDH-ZDUSSCGKSA-N 1 2 330.419 3.650 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H]1c1ccccc1 ZINC000888578710 1137544240 /nfs/dbraw/zinc/54/42/40/1137544240.db2.gz WJTIXKVHCKARDN-BEFAXECRSA-N 1 2 334.423 3.627 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172358325 1137554554 /nfs/dbraw/zinc/55/45/54/1137554554.db2.gz GEOCWXDZRKMUFJ-IXDOHACOSA-N 1 2 332.479 3.776 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872117836 1137572454 /nfs/dbraw/zinc/57/24/54/1137572454.db2.gz XBSAIWPTKJGQEX-VIFPVBQESA-N 1 2 330.741 3.703 20 0 EHADLO CCS[C@H](C)c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872176631 1137575166 /nfs/dbraw/zinc/57/51/66/1137575166.db2.gz WJIYMYNGVPNXSG-KCJUWKMLSA-N 1 2 331.363 3.951 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872262068 1137576833 /nfs/dbraw/zinc/57/68/33/1137576833.db2.gz OGTZURBFOZCCSG-GFCCVEGCSA-N 1 2 332.275 3.651 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872262068 1137576834 /nfs/dbraw/zinc/57/68/34/1137576834.db2.gz OGTZURBFOZCCSG-GFCCVEGCSA-N 1 2 332.275 3.651 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000872320771 1137578402 /nfs/dbraw/zinc/57/84/02/1137578402.db2.gz AODYQWRIFSZXKK-YVMONPNESA-N 1 2 341.842 3.665 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2ncc3ccccc3c2=O)c1 ZINC000124050461 1137578752 /nfs/dbraw/zinc/57/87/52/1137578752.db2.gz OIDRMEGLAGLBBM-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2ncc3ccccc3c2=O)c1 ZINC000124050461 1137578753 /nfs/dbraw/zinc/57/87/53/1137578753.db2.gz OIDRMEGLAGLBBM-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873129872 1137590878 /nfs/dbraw/zinc/59/08/78/1137590878.db2.gz SEEZFHSMOGRNNQ-NSHDSACASA-N 1 2 340.240 3.964 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)c2C1 ZINC000873175863 1137592483 /nfs/dbraw/zinc/59/24/83/1137592483.db2.gz UVGKRRNOUYEYRZ-UHFFFAOYSA-N 1 2 336.439 3.869 20 0 EHADLO S=c1n(C[NH+]2CCCCCCC2)nc(N2CCCCC2)n1C1CC1 ZINC000873865641 1137607496 /nfs/dbraw/zinc/60/74/96/1137607496.db2.gz MSPANFJNJRQDCC-UHFFFAOYSA-N 1 2 349.548 3.963 20 0 EHADLO C[N@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCCC1 ZINC000873968332 1137608556 /nfs/dbraw/zinc/60/85/56/1137608556.db2.gz JAIFPLYSMUHKKN-UHFFFAOYSA-N 1 2 335.521 3.571 20 0 EHADLO C[N@@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCCC1 ZINC000873968332 1137608557 /nfs/dbraw/zinc/60/85/57/1137608557.db2.gz JAIFPLYSMUHKKN-UHFFFAOYSA-N 1 2 335.521 3.571 20 0 EHADLO CC(C)C[C@H](C(=O)NCc1cccc(OC(C)C)c1)n1cc[nH+]c1 ZINC000874084360 1137610311 /nfs/dbraw/zinc/61/03/11/1137610311.db2.gz BQNJMUZVFMIRNX-GOSISDBHSA-N 1 2 329.444 3.574 20 0 EHADLO Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC000874453073 1137614382 /nfs/dbraw/zinc/61/43/82/1137614382.db2.gz RFWPEYQGDYMDIB-QZTJIDSGSA-N 1 2 335.407 3.956 20 0 EHADLO Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC000874453073 1137614383 /nfs/dbraw/zinc/61/43/83/1137614383.db2.gz RFWPEYQGDYMDIB-QZTJIDSGSA-N 1 2 335.407 3.956 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC000874603608 1137618821 /nfs/dbraw/zinc/61/88/21/1137618821.db2.gz PDXZNUKSYXGMRK-OAHLLOKOSA-N 1 2 331.847 3.709 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC000874606157 1137619026 /nfs/dbraw/zinc/61/90/26/1137619026.db2.gz WTWWJXJUKRYCKV-KRWDZBQOSA-N 1 2 345.874 3.801 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(Cl)nc(Cl)c1 ZINC000125157401 1137622540 /nfs/dbraw/zinc/62/25/40/1137622540.db2.gz KARKXDUSGGIRCS-UHFFFAOYSA-N 1 2 329.227 3.938 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(Cl)nc(Cl)c1 ZINC000125157401 1137622541 /nfs/dbraw/zinc/62/25/41/1137622541.db2.gz KARKXDUSGGIRCS-UHFFFAOYSA-N 1 2 329.227 3.938 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000825797878 1137634691 /nfs/dbraw/zinc/63/46/91/1137634691.db2.gz KSQFTADEWYGELF-UHFFFAOYSA-N 1 2 325.334 3.711 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000825797878 1137634692 /nfs/dbraw/zinc/63/46/92/1137634692.db2.gz KSQFTADEWYGELF-UHFFFAOYSA-N 1 2 325.334 3.711 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000875902517 1137640379 /nfs/dbraw/zinc/64/03/79/1137640379.db2.gz CNYMFRPVKYEWHZ-CJNGLKHVSA-N 1 2 344.846 3.640 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000876335989 1137649003 /nfs/dbraw/zinc/64/90/03/1137649003.db2.gz JETJRAZFURXBSC-UHFFFAOYSA-N 1 2 346.500 3.858 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000876335989 1137649004 /nfs/dbraw/zinc/64/90/04/1137649004.db2.gz JETJRAZFURXBSC-UHFFFAOYSA-N 1 2 346.500 3.858 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[C@H]2C=CCC2)c1C ZINC000876342777 1137649331 /nfs/dbraw/zinc/64/93/31/1137649331.db2.gz WHYNRYDKBXJGNS-INIZCTEOSA-N 1 2 331.460 3.595 20 0 EHADLO CC(C)[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1cccc(Cl)c1 ZINC000876582704 1137656183 /nfs/dbraw/zinc/65/61/83/1137656183.db2.gz XGUYFDKCKSLKFS-SFHVURJKSA-N 1 2 348.878 3.521 20 0 EHADLO CC(C)[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1cccc(Cl)c1 ZINC000876582704 1137656184 /nfs/dbraw/zinc/65/61/84/1137656184.db2.gz XGUYFDKCKSLKFS-SFHVURJKSA-N 1 2 348.878 3.521 20 0 EHADLO CC(C)OCCC[N@H+](C)Cc1nc(Cl)ccc1Br ZINC000876752148 1137660417 /nfs/dbraw/zinc/66/04/17/1137660417.db2.gz HZLDFITVJIVULU-UHFFFAOYSA-N 1 2 335.673 3.744 20 0 EHADLO CC(C)OCCC[N@@H+](C)Cc1nc(Cl)ccc1Br ZINC000876752148 1137660418 /nfs/dbraw/zinc/66/04/18/1137660418.db2.gz HZLDFITVJIVULU-UHFFFAOYSA-N 1 2 335.673 3.744 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+]C[C@H]3CC3(Cl)Cl)cc2)C[C@@H](C)O1 ZINC000876854939 1137663802 /nfs/dbraw/zinc/66/38/02/1137663802.db2.gz VXTDLLOBIUDIFB-JHJVBQTASA-N 1 2 329.271 3.906 20 0 EHADLO CCO[P@@](C)(=O)CC[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000876954933 1137666156 /nfs/dbraw/zinc/66/61/56/1137666156.db2.gz PVWBOSDNCLLXTG-RCDICMHDSA-N 1 2 325.393 3.817 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2c(F)cccc2OC(F)F)c1C ZINC000877068136 1137669466 /nfs/dbraw/zinc/66/94/66/1137669466.db2.gz MFDLUAAGUZJFRX-UHFFFAOYSA-N 1 2 340.345 3.737 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2c(F)cccc2OC(F)F)c1C ZINC000877068136 1137669467 /nfs/dbraw/zinc/66/94/67/1137669467.db2.gz MFDLUAAGUZJFRX-UHFFFAOYSA-N 1 2 340.345 3.737 20 0 EHADLO CCOCCOc1cc(C)ccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877102195 1137670260 /nfs/dbraw/zinc/67/02/60/1137670260.db2.gz BGOVNPOOIYACTP-UHFFFAOYSA-N 1 2 340.876 3.810 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)o1 ZINC000877109077 1137670323 /nfs/dbraw/zinc/67/03/23/1137670323.db2.gz YYFVFQKGHRKALL-CQSZACIVSA-N 1 2 345.443 3.859 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000877616661 1137683126 /nfs/dbraw/zinc/68/31/26/1137683126.db2.gz MPFAJTZHEHKUFK-FHWLQOOXSA-N 1 2 342.414 3.724 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000877616661 1137683127 /nfs/dbraw/zinc/68/31/27/1137683127.db2.gz MPFAJTZHEHKUFK-FHWLQOOXSA-N 1 2 342.414 3.724 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C2CSC2)cs1)c1ccc(C)c(C)c1 ZINC000877633787 1137683719 /nfs/dbraw/zinc/68/37/19/1137683719.db2.gz HCYCHASUFLRVEF-UHFFFAOYSA-N 1 2 347.509 3.650 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)sn1 ZINC000877806424 1137690435 /nfs/dbraw/zinc/69/04/35/1137690435.db2.gz GWCGMHFBWYFBBJ-UHFFFAOYSA-N 1 2 337.754 3.509 20 0 EHADLO FC(F)(F)c1ccccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877821693 1137691742 /nfs/dbraw/zinc/69/17/42/1137691742.db2.gz OQZIVZJGNGBMDT-LBPRGKRZSA-N 1 2 327.268 3.859 20 0 EHADLO FC(F)(F)c1ccccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877821693 1137691743 /nfs/dbraw/zinc/69/17/43/1137691743.db2.gz OQZIVZJGNGBMDT-LBPRGKRZSA-N 1 2 327.268 3.859 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3cc(F)ccc3o2)CC[C@H](C(F)(F)F)O1 ZINC000877822382 1137691916 /nfs/dbraw/zinc/69/19/16/1137691916.db2.gz QYUKIHCBXNRFRP-TVQRCGJNSA-N 1 2 332.297 3.509 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3cc(F)ccc3o2)CC[C@H](C(F)(F)F)O1 ZINC000877822382 1137691917 /nfs/dbraw/zinc/69/19/17/1137691917.db2.gz QYUKIHCBXNRFRP-TVQRCGJNSA-N 1 2 332.297 3.509 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H]2CCCC(C)(C)O2)o1 ZINC000877981672 1137698211 /nfs/dbraw/zinc/69/82/11/1137698211.db2.gz VFCARIOPFBKVAS-QZTJIDSGSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H]2CCCC(C)(C)O2)o1 ZINC000877981672 1137698212 /nfs/dbraw/zinc/69/82/12/1137698212.db2.gz VFCARIOPFBKVAS-QZTJIDSGSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@@H]2CCCC(C)(C)O2)o1 ZINC000877981673 1137698231 /nfs/dbraw/zinc/69/82/31/1137698231.db2.gz VFCARIOPFBKVAS-ROUUACIJSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@@H]2CCCC(C)(C)O2)o1 ZINC000877981673 1137698232 /nfs/dbraw/zinc/69/82/32/1137698232.db2.gz VFCARIOPFBKVAS-ROUUACIJSA-N 1 2 341.455 3.825 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000878023192 1137699890 /nfs/dbraw/zinc/69/98/90/1137699890.db2.gz SFDREWKFRUZIMK-UHFFFAOYSA-N 1 2 349.425 3.612 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)[C@H](CO)c2ccccc2)co1 ZINC000878048174 1137700734 /nfs/dbraw/zinc/70/07/34/1137700734.db2.gz MXFGXJCPSSKVCP-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)[C@H](CO)c2ccccc2)co1 ZINC000878048174 1137700735 /nfs/dbraw/zinc/70/07/35/1137700735.db2.gz MXFGXJCPSSKVCP-GOSISDBHSA-N 1 2 338.407 3.516 20 0 EHADLO C[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](CCO)c1ccccc1 ZINC000878139490 1137704165 /nfs/dbraw/zinc/70/41/65/1137704165.db2.gz OQWSVPOBTILLJA-GOSISDBHSA-N 1 2 328.456 3.745 20 0 EHADLO C[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](CCO)c1ccccc1 ZINC000878139490 1137704166 /nfs/dbraw/zinc/70/41/66/1137704166.db2.gz OQWSVPOBTILLJA-GOSISDBHSA-N 1 2 328.456 3.745 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)nc1Cl ZINC000878375050 1137713291 /nfs/dbraw/zinc/71/32/91/1137713291.db2.gz JPIVQRYPVKDUQM-OAHLLOKOSA-N 1 2 329.835 3.573 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+][C@H](C)c2nc3ccccc3s2)s1 ZINC000878418204 1137715090 /nfs/dbraw/zinc/71/50/90/1137715090.db2.gz WEUWXDGVHTYRAE-SNVBAGLBSA-N 1 2 347.465 3.780 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524819 1137718754 /nfs/dbraw/zinc/71/87/54/1137718754.db2.gz SEFRKGGOWOGYMX-CABCVRRESA-N 1 2 326.227 3.587 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524819 1137718755 /nfs/dbraw/zinc/71/87/55/1137718755.db2.gz SEFRKGGOWOGYMX-CABCVRRESA-N 1 2 326.227 3.587 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000878553693 1137720021 /nfs/dbraw/zinc/72/00/21/1137720021.db2.gz ORRWZIRFJLOOQS-GOSISDBHSA-N 1 2 340.471 3.758 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000878553693 1137720022 /nfs/dbraw/zinc/72/00/22/1137720022.db2.gz ORRWZIRFJLOOQS-GOSISDBHSA-N 1 2 340.471 3.758 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC(n4cc[nH+]c4)CC3)c2s1 ZINC000878556287 1137720108 /nfs/dbraw/zinc/72/01/08/1137720108.db2.gz FILNOKJORDBCKQ-UHFFFAOYSA-N 1 2 345.493 3.874 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000878574776 1137720912 /nfs/dbraw/zinc/72/09/12/1137720912.db2.gz WUZQDRNSUFAUCE-UHFFFAOYSA-N 1 2 344.377 3.731 20 0 EHADLO CC(C)(C)c1ccc(C(=O)C2CC[NH+](Cc3cc[nH]n3)CC2)cc1 ZINC001137133350 1137721221 /nfs/dbraw/zinc/72/12/21/1137721221.db2.gz COUIERRZZHNSIW-UHFFFAOYSA-N 1 2 325.456 3.802 20 0 EHADLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1scnc1Cl ZINC000878607458 1137722073 /nfs/dbraw/zinc/72/20/73/1137722073.db2.gz VVRXVDWGICBHEZ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1scnc1Cl ZINC000878607458 1137722074 /nfs/dbraw/zinc/72/20/74/1137722074.db2.gz VVRXVDWGICBHEZ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)N(C)c1ccc(C)cc1 ZINC000878613770 1137722309 /nfs/dbraw/zinc/72/23/09/1137722309.db2.gz WMINEQJNPUNRQQ-DYVFJYSZSA-N 1 2 347.409 3.760 20 0 EHADLO Clc1ccccc1N1CCC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000878614967 1137722361 /nfs/dbraw/zinc/72/23/61/1137722361.db2.gz UGFUKFODEJKFLE-UHFFFAOYSA-N 1 2 331.847 3.918 20 0 EHADLO Clc1ccccc1N1CCC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC000878614967 1137722362 /nfs/dbraw/zinc/72/23/62/1137722362.db2.gz UGFUKFODEJKFLE-UHFFFAOYSA-N 1 2 331.847 3.918 20 0 EHADLO CC1(C)CCc2onc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2C1 ZINC000878631499 1137723114 /nfs/dbraw/zinc/72/31/14/1137723114.db2.gz HCAMSUVLUFMWBV-MSOLQXFVSA-N 1 2 330.472 3.723 20 0 EHADLO CC1(C)CCc2onc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2C1 ZINC000878631499 1137723115 /nfs/dbraw/zinc/72/31/15/1137723115.db2.gz HCAMSUVLUFMWBV-MSOLQXFVSA-N 1 2 330.472 3.723 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804300 1137728777 /nfs/dbraw/zinc/72/87/77/1137728777.db2.gz UEJJEEZQHSDTNZ-OAHLLOKOSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878804300 1137728778 /nfs/dbraw/zinc/72/87/78/1137728778.db2.gz UEJJEEZQHSDTNZ-OAHLLOKOSA-N 1 2 330.428 3.740 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(SC)CC1 ZINC000879100936 1137737826 /nfs/dbraw/zinc/73/78/26/1137737826.db2.gz YEXIFLPNLJMJDO-AWEZNQCLSA-N 1 2 347.402 3.747 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157053 1137739684 /nfs/dbraw/zinc/73/96/84/1137739684.db2.gz BTXPYIJLEVZALN-GFCCVEGCSA-N 1 2 349.862 3.707 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557089 1137750875 /nfs/dbraw/zinc/75/08/75/1137750875.db2.gz BDAJSGAXDYEQJB-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000879557089 1137750876 /nfs/dbraw/zinc/75/08/76/1137750876.db2.gz BDAJSGAXDYEQJB-GHMZBOCLSA-N 1 2 345.295 3.617 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC[C@](C)(F)C3)ccc21 ZINC000879718270 1137756436 /nfs/dbraw/zinc/75/64/36/1137756436.db2.gz LJYZEBUZOMUANY-SFHVURJKSA-N 1 2 330.407 3.657 20 0 EHADLO CN(Cc1csc(C(C)(C)O)n1)c1[nH+]ccc2cc(F)ccc21 ZINC000826121623 1137757092 /nfs/dbraw/zinc/75/70/92/1137757092.db2.gz NFTLHNREJWNRCL-UHFFFAOYSA-N 1 2 331.416 3.694 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000879782034 1137758636 /nfs/dbraw/zinc/75/86/36/1137758636.db2.gz NRTRRCGTADWOLG-ROUUACIJSA-N 1 2 337.467 3.636 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043528 1137766333 /nfs/dbraw/zinc/76/63/33/1137766333.db2.gz LDICXZWEPHFUOG-OAHLLOKOSA-N 1 2 340.345 3.803 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043528 1137766334 /nfs/dbraw/zinc/76/63/34/1137766334.db2.gz LDICXZWEPHFUOG-OAHLLOKOSA-N 1 2 340.345 3.803 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@H](C(F)(F)F)O1 ZINC000880065195 1137767086 /nfs/dbraw/zinc/76/70/86/1137767086.db2.gz RNNULEOUQWCGLC-GXSJLCMTSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)CC[C@H](C(F)(F)F)O1 ZINC000880065195 1137767087 /nfs/dbraw/zinc/76/70/87/1137767087.db2.gz RNNULEOUQWCGLC-GXSJLCMTSA-N 1 2 342.283 3.642 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223460 1137771443 /nfs/dbraw/zinc/77/14/43/1137771443.db2.gz GKCCOWJUROOIAE-RVWIWJKTSA-N 1 2 334.419 3.790 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@H](CF)C2)nc2cc(C(F)(F)F)ccc21 ZINC000880232916 1137771677 /nfs/dbraw/zinc/77/16/77/1137771677.db2.gz GTVJTSDPPBVPBM-SNVBAGLBSA-N 1 2 343.324 3.536 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@H](CF)C2)nc2cc(C(F)(F)F)ccc21 ZINC000880232916 1137771678 /nfs/dbraw/zinc/77/16/78/1137771678.db2.gz GTVJTSDPPBVPBM-SNVBAGLBSA-N 1 2 343.324 3.536 20 0 EHADLO CCc1cnc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC23CCC3)o1 ZINC000880348744 1137775748 /nfs/dbraw/zinc/77/57/48/1137775748.db2.gz JFUNQWZQXYQFDZ-UHFFFAOYSA-N 1 2 349.475 3.603 20 0 EHADLO CCc1cnc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC23CCC3)o1 ZINC000880348744 1137775749 /nfs/dbraw/zinc/77/57/49/1137775749.db2.gz JFUNQWZQXYQFDZ-UHFFFAOYSA-N 1 2 349.475 3.603 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880386917 1137777519 /nfs/dbraw/zinc/77/75/19/1137777519.db2.gz BHZOOAQFAVXLSG-KRWDZBQOSA-N 1 2 330.501 3.614 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880386917 1137777520 /nfs/dbraw/zinc/77/75/20/1137777520.db2.gz BHZOOAQFAVXLSG-KRWDZBQOSA-N 1 2 330.501 3.614 20 0 EHADLO OC[C@H]1C=CC[N@@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000880494198 1137780041 /nfs/dbraw/zinc/78/00/41/1137780041.db2.gz LFZIRISZXAYECE-SNVBAGLBSA-N 1 2 341.263 3.850 20 0 EHADLO OC[C@H]1C=CC[N@H+]1Cc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000880494198 1137780042 /nfs/dbraw/zinc/78/00/42/1137780042.db2.gz LFZIRISZXAYECE-SNVBAGLBSA-N 1 2 341.263 3.850 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132801 1137783518 /nfs/dbraw/zinc/78/35/18/1137783518.db2.gz ZGRAXFORPJIWKO-GWCFXTLKSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132801 1137783519 /nfs/dbraw/zinc/78/35/19/1137783519.db2.gz ZGRAXFORPJIWKO-GWCFXTLKSA-N 1 2 328.225 3.514 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135083 1137789997 /nfs/dbraw/zinc/78/99/97/1137789997.db2.gz SJNIIVJASQJPPD-RHSMWYFYSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCc2ccccc21 ZINC000626135083 1137789998 /nfs/dbraw/zinc/78/99/98/1137789998.db2.gz SJNIIVJASQJPPD-RHSMWYFYSA-N 1 2 343.471 3.892 20 0 EHADLO CCc1ccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc1 ZINC000881201727 1137803524 /nfs/dbraw/zinc/80/35/24/1137803524.db2.gz TZOHTUGKRRKSRG-WKILWMFISA-N 1 2 339.443 3.584 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2(C)C)cc1 ZINC000881659450 1137813122 /nfs/dbraw/zinc/81/31/22/1137813122.db2.gz CZJOWPACDPNQFE-MJGOQNOKSA-N 1 2 337.467 3.549 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000025453259 1137831999 /nfs/dbraw/zinc/83/19/99/1137831999.db2.gz NMIQAQOFEIAGQL-MRXNPFEDSA-N 1 2 328.485 3.888 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H]2CCc3ccccc32)nc1C1CC1 ZINC000025453259 1137832000 /nfs/dbraw/zinc/83/20/00/1137832000.db2.gz NMIQAQOFEIAGQL-MRXNPFEDSA-N 1 2 328.485 3.888 20 0 EHADLO COC(=O)Cc1ccccc1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000130337725 1137836317 /nfs/dbraw/zinc/83/63/17/1137836317.db2.gz ARKUULOTYOBRCT-UHFFFAOYSA-N 1 2 339.391 3.791 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cn(C2CC2)cn1 ZINC000883213499 1137849035 /nfs/dbraw/zinc/84/90/35/1137849035.db2.gz IWPNHHJBFOFPGU-UHFFFAOYSA-N 1 2 339.443 3.606 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCCc3[nH]ncc31)CCCC2 ZINC000883348102 1137856753 /nfs/dbraw/zinc/85/67/53/1137856753.db2.gz HPZWZDZUXHWRGV-IAGOWNOFSA-N 1 2 341.455 3.862 20 0 EHADLO C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000883411408 1137860109 /nfs/dbraw/zinc/86/01/09/1137860109.db2.gz XVNSJJNCIWNTHC-YJBOKZPZSA-N 1 2 326.444 3.502 20 0 EHADLO O=C(NCC1(C2CC2)CCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883546451 1137863363 /nfs/dbraw/zinc/86/33/63/1137863363.db2.gz DNNMCTVIHWOJKZ-GOSISDBHSA-N 1 2 338.455 3.504 20 0 EHADLO Cc1ccc([C@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000101678663 1137871261 /nfs/dbraw/zinc/87/12/61/1137871261.db2.gz NWPDDDZMMILCQD-HNNXBMFYSA-N 1 2 348.830 3.514 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000101863330 1137871819 /nfs/dbraw/zinc/87/18/19/1137871819.db2.gz GHDGTKJRMFDIFI-UHFFFAOYSA-N 1 2 341.430 3.698 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC(n4cc[nH+]c4)CC3)csc2C1 ZINC000101863544 1137871871 /nfs/dbraw/zinc/87/18/71/1137871871.db2.gz BGYZJHBBDXMZBF-ZDUSSCGKSA-N 1 2 329.469 3.547 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000883827551 1137873056 /nfs/dbraw/zinc/87/30/56/1137873056.db2.gz AXYKWOJGCSTUJK-HNNXBMFYSA-N 1 2 344.484 3.611 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(C)n1C(C)C ZINC000104002849 1137877370 /nfs/dbraw/zinc/87/73/70/1137877370.db2.gz XNYQHNNHCWYPAU-UHFFFAOYSA-N 1 2 328.460 3.703 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(Cl)cc1F ZINC000104974144 1137879791 /nfs/dbraw/zinc/87/97/91/1137879791.db2.gz FCAOKRWINLILTJ-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO Cc1ccc(-c2nc(CN(C)Cc3cn4c([nH+]3)CCCC4)co2)cc1 ZINC000429558140 1137882308 /nfs/dbraw/zinc/88/23/08/1137882308.db2.gz TXJLJBQSTUZNJZ-UHFFFAOYSA-N 1 2 336.439 3.815 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1Cc2ccccc2C1 ZINC000107306770 1137886224 /nfs/dbraw/zinc/88/62/24/1137886224.db2.gz GTQHEKWLCVNIOS-INIZCTEOSA-N 1 2 335.451 3.630 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272716 1137891597 /nfs/dbraw/zinc/89/15/97/1137891597.db2.gz ZFMVWBDSYCFYHB-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cncs1 ZINC000348272716 1137891598 /nfs/dbraw/zinc/89/15/98/1137891598.db2.gz ZFMVWBDSYCFYHB-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282874765 1137892008 /nfs/dbraw/zinc/89/20/08/1137892008.db2.gz AXLWNCHTRRKSET-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111158375 1137903773 /nfs/dbraw/zinc/90/37/73/1137903773.db2.gz ZVIUETAPCUQQID-NHCUHLMSSA-N 1 2 345.446 3.998 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000111306935 1137904053 /nfs/dbraw/zinc/90/40/53/1137904053.db2.gz RKRPGDRKLBXGQQ-OAHLLOKOSA-N 1 2 347.846 3.607 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000111306935 1137904054 /nfs/dbraw/zinc/90/40/54/1137904054.db2.gz RKRPGDRKLBXGQQ-OAHLLOKOSA-N 1 2 347.846 3.607 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000111376612 1137904475 /nfs/dbraw/zinc/90/44/75/1137904475.db2.gz JXTJNXQPWUGYDG-ZJUUUORDSA-N 1 2 339.411 3.662 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111750147 1137905475 /nfs/dbraw/zinc/90/54/75/1137905475.db2.gz QQOJFYRUGDIFSX-UHFFFAOYSA-N 1 2 344.484 3.658 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000133698967 1137906416 /nfs/dbraw/zinc/90/64/16/1137906416.db2.gz BYYGDBPBSKAPKG-UHFFFAOYSA-N 1 2 343.374 3.909 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000133698967 1137906417 /nfs/dbraw/zinc/90/64/17/1137906417.db2.gz BYYGDBPBSKAPKG-UHFFFAOYSA-N 1 2 343.374 3.909 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1Br ZINC000112518376 1137908174 /nfs/dbraw/zinc/90/81/74/1137908174.db2.gz XBBFWSZSTULXAR-IUCAKERBSA-N 1 2 340.221 3.561 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3cc(F)ccc3F)c[nH+]c12 ZINC001202666252 1137913042 /nfs/dbraw/zinc/91/30/42/1137913042.db2.gz OVLYTICHRRBZPH-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000331665855 1137916430 /nfs/dbraw/zinc/91/64/30/1137916430.db2.gz OLPZABWIBIUDJM-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1C ZINC000114804243 1137919024 /nfs/dbraw/zinc/91/90/24/1137919024.db2.gz OREMIVYKQKRPBJ-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780709 1137920299 /nfs/dbraw/zinc/92/02/99/1137920299.db2.gz FZKHJLMXTVJCTE-GHMZBOCLSA-N 1 2 328.338 3.666 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780709 1137920300 /nfs/dbraw/zinc/92/03/00/1137920300.db2.gz FZKHJLMXTVJCTE-GHMZBOCLSA-N 1 2 328.338 3.666 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000331800293 1137921336 /nfs/dbraw/zinc/92/13/36/1137921336.db2.gz WZWJLKWARDNHME-NSHDSACASA-N 1 2 333.461 3.575 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000331802274 1137921344 /nfs/dbraw/zinc/92/13/44/1137921344.db2.gz QSQIKQBAOBCDJW-WMLDXEAASA-N 1 2 329.419 3.872 20 0 EHADLO Nc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000162016770 1137921869 /nfs/dbraw/zinc/92/18/69/1137921869.db2.gz AFKRKLXQXIWQTQ-MRXNPFEDSA-N 1 2 332.245 3.763 20 0 EHADLO Nc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000162016770 1137921870 /nfs/dbraw/zinc/92/18/70/1137921870.db2.gz AFKRKLXQXIWQTQ-MRXNPFEDSA-N 1 2 332.245 3.763 20 0 EHADLO CCC1(CC)CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000332416582 1137943250 /nfs/dbraw/zinc/94/32/50/1137943250.db2.gz UUHLKIZJCHVKBI-UHFFFAOYSA-N 1 2 332.492 3.979 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332414907 1137943323 /nfs/dbraw/zinc/94/33/23/1137943323.db2.gz LTLSGPWUYURMHX-ZFWWWQNUSA-N 1 2 328.416 3.529 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccn1 ZINC000119841605 1137944838 /nfs/dbraw/zinc/94/48/38/1137944838.db2.gz ZFFRBMBJYHUJNW-RTBURBONSA-N 1 2 347.422 3.637 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)no1 ZINC000282911494 1137945898 /nfs/dbraw/zinc/94/58/98/1137945898.db2.gz XJBQLZFYPVPZLE-GOSISDBHSA-N 1 2 349.862 3.512 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(OC)ccc1OCOC)c1nccs1 ZINC000120020544 1137946063 /nfs/dbraw/zinc/94/60/63/1137946063.db2.gz RDBUPVPUJQHEOX-KRWDZBQOSA-N 1 2 336.457 3.549 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(F)c1 ZINC000120050928 1137946294 /nfs/dbraw/zinc/94/62/94/1137946294.db2.gz YATFKROVORILEZ-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(F)c1 ZINC000120050928 1137946295 /nfs/dbraw/zinc/94/62/95/1137946295.db2.gz YATFKROVORILEZ-GFCCVEGCSA-N 1 2 337.826 3.585 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000120279422 1137948048 /nfs/dbraw/zinc/94/80/48/1137948048.db2.gz XGZOQKWVNYGAJT-UHFFFAOYSA-N 1 2 347.871 3.887 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000120279422 1137948049 /nfs/dbraw/zinc/94/80/49/1137948049.db2.gz XGZOQKWVNYGAJT-UHFFFAOYSA-N 1 2 347.871 3.887 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)no1 ZINC000121126542 1137955364 /nfs/dbraw/zinc/95/53/64/1137955364.db2.gz BKDJOKXKGWXOPL-LBPRGKRZSA-N 1 2 336.461 3.503 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)no1 ZINC000121126542 1137955365 /nfs/dbraw/zinc/95/53/65/1137955365.db2.gz BKDJOKXKGWXOPL-LBPRGKRZSA-N 1 2 336.461 3.503 20 0 EHADLO CC(C)C1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000333179250 1137957326 /nfs/dbraw/zinc/95/73/26/1137957326.db2.gz RWHYFWZDKZWTTF-UHFFFAOYSA-N 1 2 344.503 3.545 20 0 EHADLO C[C@H](CC(=O)OC[C@@H]1CCC[C@H](c2ccccc2)O1)n1cc[nH+]c1 ZINC000884566784 1137963286 /nfs/dbraw/zinc/96/32/86/1137963286.db2.gz SZUKVMLZIRNIRX-BPQIPLTHSA-N 1 2 328.412 3.688 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1cnn(Cc2ccccc2)c1 ZINC000348345623 1137996157 /nfs/dbraw/zinc/99/61/57/1137996157.db2.gz QAGDTWKQNGKZQY-HNNXBMFYSA-N 1 2 332.407 3.923 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3sccc3Br)nc2c1 ZINC001649171456 1138020599 /nfs/dbraw/zinc/02/05/99/1138020599.db2.gz SBYMPADFXWAVDU-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO COc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(F)c1OC ZINC000885991102 1138030613 /nfs/dbraw/zinc/03/06/13/1138030613.db2.gz WDKXSQIHNADBLC-UHFFFAOYSA-N 1 2 336.432 3.859 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000886116860 1138048438 /nfs/dbraw/zinc/04/84/38/1138048438.db2.gz TZEOISNIAOUONI-SFHVURJKSA-N 1 2 337.467 3.580 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000886116860 1138048440 /nfs/dbraw/zinc/04/84/40/1138048440.db2.gz TZEOISNIAOUONI-SFHVURJKSA-N 1 2 337.467 3.580 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2c(F)cc(F)cc2F)c1OC ZINC000886127081 1138049832 /nfs/dbraw/zinc/04/98/32/1138049832.db2.gz AWUBWWKJJFYAPM-UHFFFAOYSA-N 1 2 325.330 3.719 20 0 EHADLO O=C(Cc1cccc(Cl)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000067815893 1138082106 /nfs/dbraw/zinc/08/21/06/1138082106.db2.gz YHALSXHDLYMHHI-UHFFFAOYSA-N 1 2 343.858 3.584 20 0 EHADLO CC(C)C[C@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000072662811 1138106803 /nfs/dbraw/zinc/10/68/03/1138106803.db2.gz RBEPZPBJTISHFJ-INIZCTEOSA-N 1 2 345.512 3.871 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000073590028 1138115087 /nfs/dbraw/zinc/11/50/87/1138115087.db2.gz IJRNBRZWPWFXES-HNNXBMFYSA-N 1 2 342.487 3.544 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714811 1138124083 /nfs/dbraw/zinc/12/40/83/1138124083.db2.gz VKAISDHEPUOYKA-ZUOKHONESA-N 1 2 337.398 3.823 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000886728784 1138127174 /nfs/dbraw/zinc/12/71/74/1138127174.db2.gz JCYNCWFPIVCBKN-UHFFFAOYSA-N 1 2 344.480 3.974 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)C1(c2cccc(Cl)c2)CCCC1 ZINC000075885672 1138129126 /nfs/dbraw/zinc/12/91/26/1138129126.db2.gz RAMFQJCVQPWLFM-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccco1 ZINC000076868227 1138135504 /nfs/dbraw/zinc/13/55/04/1138135504.db2.gz YIQGRBVTHIETSY-GOSISDBHSA-N 1 2 340.423 3.625 20 0 EHADLO Cc1ccncc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080641535 1138163657 /nfs/dbraw/zinc/16/36/57/1138163657.db2.gz NUTVSLOFICDHCH-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccncc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000080641535 1138163658 /nfs/dbraw/zinc/16/36/58/1138163658.db2.gz NUTVSLOFICDHCH-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080915179 1138164901 /nfs/dbraw/zinc/16/49/01/1138164901.db2.gz ZBYRCDBBGPLVRQ-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000080915179 1138164903 /nfs/dbraw/zinc/16/49/03/1138164903.db2.gz ZBYRCDBBGPLVRQ-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@H+](Cc3cnccc3Cl)C2)no1 ZINC001137236833 1138184702 /nfs/dbraw/zinc/18/47/02/1138184702.db2.gz QLOJUBXPEFBWGE-SECBINFHSA-N 1 2 346.740 3.516 20 0 EHADLO FC(F)(F)c1nc([C@@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)no1 ZINC001137236833 1138184704 /nfs/dbraw/zinc/18/47/04/1138184704.db2.gz QLOJUBXPEFBWGE-SECBINFHSA-N 1 2 346.740 3.516 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3nc(C4CC4)cs3)c(C)n2n1 ZINC000090460577 1138210768 /nfs/dbraw/zinc/21/07/68/1138210768.db2.gz AAVWNTIPCLUWQJ-NSHDSACASA-N 1 2 327.457 3.531 20 0 EHADLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1OCc1cccs1 ZINC000091814999 1138221692 /nfs/dbraw/zinc/22/16/92/1138221692.db2.gz MMVOCOOBZVTDQJ-AWEZNQCLSA-N 1 2 333.453 3.556 20 0 EHADLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1OCc1cccs1 ZINC000091814999 1138221693 /nfs/dbraw/zinc/22/16/93/1138221693.db2.gz MMVOCOOBZVTDQJ-AWEZNQCLSA-N 1 2 333.453 3.556 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cnccc1Cl ZINC001137238451 1138224335 /nfs/dbraw/zinc/22/43/35/1138224335.db2.gz WVBBDPDDMBANIK-CQSZACIVSA-N 1 2 334.847 3.781 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cnccc1Cl ZINC001137238451 1138224336 /nfs/dbraw/zinc/22/43/36/1138224336.db2.gz WVBBDPDDMBANIK-CQSZACIVSA-N 1 2 334.847 3.781 20 0 EHADLO C/C(=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122956344 1138264377 /nfs/dbraw/zinc/26/43/77/1138264377.db2.gz VRXYJTDHHICCDI-XQXPXKAISA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000123208616 1138267523 /nfs/dbraw/zinc/26/75/23/1138267523.db2.gz WHFBPJIQFQIAMM-IIDMSEBBSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124064211 1138278904 /nfs/dbraw/zinc/27/89/04/1138278904.db2.gz GOLYRZUCSCWTEM-BXUZGUMPSA-N 1 2 338.238 3.913 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124373082 1138285252 /nfs/dbraw/zinc/28/52/52/1138285252.db2.gz HUCVTLQMENHASH-JQHSSLGASA-N 1 2 343.496 3.864 20 0 EHADLO Clc1nc2ccccn2c1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000098161618 1138286933 /nfs/dbraw/zinc/28/69/33/1138286933.db2.gz DVYJLLAFHYOQJX-CQSZACIVSA-N 1 2 344.846 3.507 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C)C2)cs1)c1ccc(F)cc1 ZINC000263728643 1138351250 /nfs/dbraw/zinc/35/12/50/1138351250.db2.gz PRMPEULVVAUPGN-GFCCVEGCSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C)C2)cs1)c1ccc(F)cc1 ZINC000263728643 1138351252 /nfs/dbraw/zinc/35/12/52/1138351252.db2.gz PRMPEULVVAUPGN-GFCCVEGCSA-N 1 2 333.432 3.809 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000127613108 1138364363 /nfs/dbraw/zinc/36/43/63/1138364363.db2.gz RAPUMSCIXZMSQO-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c(Cl)c1 ZINC000128045746 1138379016 /nfs/dbraw/zinc/37/90/16/1138379016.db2.gz QIEJQGXNVZPQOA-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c(Cl)c1 ZINC000128045746 1138379020 /nfs/dbraw/zinc/37/90/20/1138379020.db2.gz QIEJQGXNVZPQOA-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3csc(C(C)(C)C)n3)ccc2[nH+]1 ZINC000263841288 1138379125 /nfs/dbraw/zinc/37/91/25/1138379125.db2.gz SBEIYUHLBPIJEX-UHFFFAOYSA-N 1 2 328.441 3.578 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263951237 1138397112 /nfs/dbraw/zinc/39/71/12/1138397112.db2.gz LKLSVDDUWIFIDW-MRXNPFEDSA-N 1 2 340.471 3.585 20 0 EHADLO CCn1cc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nn1 ZINC000887546589 1138410978 /nfs/dbraw/zinc/41/09/78/1138410978.db2.gz YLAISWZQVSQIHN-UHFFFAOYSA-N 1 2 333.439 3.525 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nn1 ZINC000887546589 1138410980 /nfs/dbraw/zinc/41/09/80/1138410980.db2.gz YLAISWZQVSQIHN-UHFFFAOYSA-N 1 2 333.439 3.525 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1)[NH+]1CCOCC1 ZINC000264221051 1138447093 /nfs/dbraw/zinc/44/70/93/1138447093.db2.gz KOBPZVRYIBWSFW-HNNXBMFYSA-N 1 2 349.434 3.813 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000264237349 1138451008 /nfs/dbraw/zinc/45/10/08/1138451008.db2.gz IXEHQEAFMYRPFH-MRXNPFEDSA-N 1 2 340.452 3.577 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000264242268 1138452312 /nfs/dbraw/zinc/45/23/12/1138452312.db2.gz ZNXKUVWGSOYOFL-GOSISDBHSA-N 1 2 325.456 3.946 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCCOc2cccc3ccccc32)no1 ZINC000264258107 1138456405 /nfs/dbraw/zinc/45/64/05/1138456405.db2.gz BILXMXGVOMMADH-UHFFFAOYSA-N 1 2 325.412 3.825 20 0 EHADLO CC[C@@H]1CCCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000264269460 1138459994 /nfs/dbraw/zinc/45/99/94/1138459994.db2.gz UMDLWMUMFXUTJX-DLBZAZTESA-N 1 2 345.487 3.734 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000887578667 1138468765 /nfs/dbraw/zinc/46/87/65/1138468765.db2.gz BRJXIVZHBQKRQL-QAPCUYQASA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000887578667 1138468767 /nfs/dbraw/zinc/46/87/67/1138468767.db2.gz BRJXIVZHBQKRQL-QAPCUYQASA-N 1 2 325.456 3.631 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000337134826 1138475070 /nfs/dbraw/zinc/47/50/70/1138475070.db2.gz BLPNUECSJRPAJH-UHFFFAOYSA-N 1 2 347.724 3.506 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(N(C)CCCn2cc[nH+]c2)n1 ZINC000337162115 1138482547 /nfs/dbraw/zinc/48/25/47/1138482547.db2.gz YAERHVJESLZQII-UHFFFAOYSA-N 1 2 343.500 3.921 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000131000255 1138489280 /nfs/dbraw/zinc/48/92/80/1138489280.db2.gz POKQEFMAUSJFEY-RDJZCZTQSA-N 1 2 330.472 3.592 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2ncnn2-c2ccccc2)CC2CC2)cc1 ZINC000337192411 1138491596 /nfs/dbraw/zinc/49/15/96/1138491596.db2.gz TYPUTOVVJKFVKG-UHFFFAOYSA-N 1 2 336.414 3.819 20 0 EHADLO Fc1ccc(C[N@H+](Cc2ncnn2-c2ccccc2)CC2CC2)cc1 ZINC000337192411 1138491597 /nfs/dbraw/zinc/49/15/97/1138491597.db2.gz TYPUTOVVJKFVKG-UHFFFAOYSA-N 1 2 336.414 3.819 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000337277658 1138517384 /nfs/dbraw/zinc/51/73/84/1138517384.db2.gz FSJDTVAWXJXTON-UHFFFAOYSA-N 1 2 346.784 3.995 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000337350063 1138541075 /nfs/dbraw/zinc/54/10/75/1138541075.db2.gz RFNKVVMJCSHVOK-UHFFFAOYSA-N 1 2 338.436 3.650 20 0 EHADLO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1F ZINC000337372089 1138548224 /nfs/dbraw/zinc/54/82/24/1138548224.db2.gz AENVBNWTPGZMKU-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO Clc1cc(C[NH2+]Cc2noc3c2CCCC3)cc2c1OCCCO2 ZINC000264568729 1138561568 /nfs/dbraw/zinc/56/15/68/1138561568.db2.gz QLOSJRSLACCGJX-UHFFFAOYSA-N 1 2 348.830 3.658 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000337580931 1138612138 /nfs/dbraw/zinc/61/21/38/1138612138.db2.gz IPOBVKREJICOPV-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C(C)C)no1 ZINC000132986750 1138614865 /nfs/dbraw/zinc/61/48/65/1138614865.db2.gz VRHDLAOBCFMEGD-CYBMUJFWSA-N 1 2 333.432 3.793 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C(C)C)no1 ZINC000132986750 1138614867 /nfs/dbraw/zinc/61/48/67/1138614867.db2.gz VRHDLAOBCFMEGD-CYBMUJFWSA-N 1 2 333.432 3.793 20 0 EHADLO O=C(c1ccc(C2CCC2)cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337591035 1138615173 /nfs/dbraw/zinc/61/51/73/1138615173.db2.gz MXYNDFWZCMIILW-HXUWFJFHSA-N 1 2 338.426 3.880 20 0 EHADLO O=C(Nc1ccc2c(c1)CCCO2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337596125 1138616226 /nfs/dbraw/zinc/61/62/26/1138616226.db2.gz KSHWDDZARBHAQI-UHFFFAOYSA-N 1 2 333.391 3.509 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000264725462 1138618461 /nfs/dbraw/zinc/61/84/61/1138618461.db2.gz OITFGMWANRCNDU-UHFFFAOYSA-N 1 2 343.471 3.796 20 0 EHADLO CC(C)(C)c1nc(C[N@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000264725462 1138618463 /nfs/dbraw/zinc/61/84/63/1138618463.db2.gz OITFGMWANRCNDU-UHFFFAOYSA-N 1 2 343.471 3.796 20 0 EHADLO O=C(c1ccc2ccccc2c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337606849 1138619510 /nfs/dbraw/zinc/61/95/10/1138619510.db2.gz VMMGSRWSBSYVFD-HXUWFJFHSA-N 1 2 334.394 3.766 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1coc2ccccc12 ZINC000264948211 1138683475 /nfs/dbraw/zinc/68/34/75/1138683475.db2.gz VRFWORFFSZUGMZ-UHFFFAOYSA-N 1 2 335.407 3.748 20 0 EHADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000337884613 1138690673 /nfs/dbraw/zinc/69/06/73/1138690673.db2.gz XCISMCIOTXJIKO-QWRGUYRKSA-N 1 2 349.360 3.986 20 0 EHADLO O=S(=O)(CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000338209285 1138788711 /nfs/dbraw/zinc/78/87/11/1138788711.db2.gz UOSCHCBGKJIDGI-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000338209285 1138788712 /nfs/dbraw/zinc/78/87/12/1138788712.db2.gz UOSCHCBGKJIDGI-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265273649 1138791244 /nfs/dbraw/zinc/79/12/44/1138791244.db2.gz LFGSYGXJUUXPHF-HNNXBMFYSA-N 1 2 333.476 3.780 20 0 EHADLO CC(C)(C)C1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000265314898 1138806151 /nfs/dbraw/zinc/80/61/51/1138806151.db2.gz YVUSHJDMHSUNLT-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000338276750 1138812181 /nfs/dbraw/zinc/81/21/81/1138812181.db2.gz AURDYXQTGIHWEV-SFHVURJKSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000338276750 1138812186 /nfs/dbraw/zinc/81/21/86/1138812186.db2.gz AURDYXQTGIHWEV-SFHVURJKSA-N 1 2 327.449 3.595 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1 ZINC000338280282 1138813660 /nfs/dbraw/zinc/81/36/60/1138813660.db2.gz LYJYFBIWQYQBLJ-NWDGAFQWSA-N 1 2 337.514 3.997 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000338391608 1138885079 /nfs/dbraw/zinc/88/50/79/1138885079.db2.gz GZLABCCSHXBVPZ-UHFFFAOYSA-N 1 2 348.450 3.675 20 0 EHADLO O=C(COc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338393686 1138886236 /nfs/dbraw/zinc/88/62/36/1138886236.db2.gz WLDXJAZXUIKHQY-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000348497820 1138953856 /nfs/dbraw/zinc/95/38/56/1138953856.db2.gz SGEUFGIUPCAZLQ-KSSFIOAISA-N 1 2 343.496 3.678 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000152121226 1139074404 /nfs/dbraw/zinc/07/44/04/1139074404.db2.gz CUZJWGOXDIPBIC-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccn2)nnn1-c1ccc(F)cc1 ZINC000152376083 1139086897 /nfs/dbraw/zinc/08/68/97/1139086897.db2.gz RYQSWTSOFNJHAV-OLZOCXBDSA-N 1 2 325.391 3.522 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152848982 1139110368 /nfs/dbraw/zinc/11/03/68/1139110368.db2.gz WULUVOILVUSNPZ-HNAYVOBHSA-N 1 2 338.455 3.553 20 0 EHADLO CC[C@@](C)(NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889542850 1139228452 /nfs/dbraw/zinc/22/84/52/1139228452.db2.gz IEOQVRXTECWNKR-GPMSIDNRSA-N 1 2 330.476 3.683 20 0 EHADLO CCN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H](C)C(C)C ZINC000889561329 1139234412 /nfs/dbraw/zinc/23/44/12/1139234412.db2.gz IGBIQSYQPXFSPN-BRWVUGGUSA-N 1 2 332.492 3.881 20 0 EHADLO CC(NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)(C1CC1)C1CC1 ZINC000890243775 1139328719 /nfs/dbraw/zinc/32/87/19/1139328719.db2.gz UQIIWCFEPHSMGP-SFHVURJKSA-N 1 2 338.455 3.502 20 0 EHADLO C[C@]12CCCC[C@H]1CN2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243759 1139328886 /nfs/dbraw/zinc/32/88/86/1139328886.db2.gz UCTJGMAUCPRXSQ-BJLQDIEVSA-N 1 2 338.455 3.599 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(c2ccccc2)CC1 ZINC000890269091 1139335238 /nfs/dbraw/zinc/33/52/38/1139335238.db2.gz VZQUPPAOAGUTCE-AWEZNQCLSA-N 1 2 343.858 3.942 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173851632 1139382366 /nfs/dbraw/zinc/38/23/66/1139382366.db2.gz IMYDICYPLKJRFU-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173851632 1139382374 /nfs/dbraw/zinc/38/23/74/1139382374.db2.gz IMYDICYPLKJRFU-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO FC(F)(F)C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000174192705 1139405885 /nfs/dbraw/zinc/40/58/85/1139405885.db2.gz USAVZEMNXNOCPE-UHFFFAOYSA-N 1 2 327.375 3.979 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174591698 1139430243 /nfs/dbraw/zinc/43/02/43/1139430243.db2.gz IJHQFLLBTNEXBK-OAHLLOKOSA-N 1 2 345.874 3.522 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174591698 1139430247 /nfs/dbraw/zinc/43/02/47/1139430247.db2.gz IJHQFLLBTNEXBK-OAHLLOKOSA-N 1 2 345.874 3.522 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001202766812 1139436984 /nfs/dbraw/zinc/43/69/84/1139436984.db2.gz IVJYSDTYYVVVFM-KRWDZBQOSA-N 1 2 325.412 3.774 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000174913415 1139449707 /nfs/dbraw/zinc/44/97/07/1139449707.db2.gz KDNPFNQFZSHCRS-GOSISDBHSA-N 1 2 327.472 3.503 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000175210753 1139472875 /nfs/dbraw/zinc/47/28/75/1139472875.db2.gz CCDTZESPLNAQTN-HZPDHXFCSA-N 1 2 345.487 3.560 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000176220204 1139545952 /nfs/dbraw/zinc/54/59/52/1139545952.db2.gz DLBGOCWFRQMUPP-UHFFFAOYSA-N 1 2 337.379 3.746 20 0 EHADLO C[C@H](CNC(=O)C1CCC(c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000176399311 1139556188 /nfs/dbraw/zinc/55/61/88/1139556188.db2.gz ONTLDYHQZUVVED-IPJUCJBFSA-N 1 2 325.456 3.609 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1oc(C)cc1C ZINC000176974537 1139590821 /nfs/dbraw/zinc/59/08/21/1139590821.db2.gz VCQOKCMHUSKRED-UHFFFAOYSA-N 1 2 341.455 3.670 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000177491461 1139622413 /nfs/dbraw/zinc/62/24/13/1139622413.db2.gz SZPSAFFIDPGMHF-IUODEOHRSA-N 1 2 343.427 3.960 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Br)ccc1OC)c1ccco1 ZINC000177574047 1139626801 /nfs/dbraw/zinc/62/68/01/1139626801.db2.gz QWBHCRFJLRGUOF-ZDUSSCGKSA-N 1 2 340.217 3.528 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cs1 ZINC000177681611 1139634034 /nfs/dbraw/zinc/63/40/34/1139634034.db2.gz XSOFWPXWUURKMW-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cs1 ZINC000177681611 1139634036 /nfs/dbraw/zinc/63/40/36/1139634036.db2.gz XSOFWPXWUURKMW-KBXCAEBGSA-N 1 2 346.496 3.722 20 0 EHADLO Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178225624 1139680375 /nfs/dbraw/zinc/68/03/75/1139680375.db2.gz JVGZNELNKSCIJA-UHFFFAOYSA-N 1 2 349.438 3.906 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)n1C ZINC000178306086 1139685871 /nfs/dbraw/zinc/68/58/71/1139685871.db2.gz FNHAGTJBCMPNON-ZDUSSCGKSA-N 1 2 340.402 3.906 20 0 EHADLO COc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1Cl ZINC000179208773 1139742267 /nfs/dbraw/zinc/74/22/67/1139742267.db2.gz BBWMZDQZGKYYDR-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(F)cc2F)c1C ZINC000179272935 1139746564 /nfs/dbraw/zinc/74/65/64/1139746564.db2.gz TTYFQMZSKNFNJR-UHFFFAOYSA-N 1 2 348.393 3.576 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc3ccccc3s2)C1=O ZINC000179305487 1139748415 /nfs/dbraw/zinc/74/84/15/1139748415.db2.gz OPXBNUVEOQVIDP-DZGCQCFKSA-N 1 2 331.485 3.689 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc3ccccc3s2)C1=O ZINC000179305487 1139748420 /nfs/dbraw/zinc/74/84/20/1139748420.db2.gz OPXBNUVEOQVIDP-DZGCQCFKSA-N 1 2 331.485 3.689 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518087 1139762439 /nfs/dbraw/zinc/76/24/39/1139762439.db2.gz SDMWHOZMVHRLLA-AAEUAGOBSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518087 1139762442 /nfs/dbraw/zinc/76/24/42/1139762442.db2.gz SDMWHOZMVHRLLA-AAEUAGOBSA-N 1 2 332.398 3.901 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000179630195 1139770666 /nfs/dbraw/zinc/77/06/66/1139770666.db2.gz YQBRQZWHOAHUNR-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000179630195 1139770671 /nfs/dbraw/zinc/77/06/71/1139770671.db2.gz YQBRQZWHOAHUNR-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179911015 1139792747 /nfs/dbraw/zinc/79/27/47/1139792747.db2.gz LOHHWOMCNQYTAH-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1ccc(F)cc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179911015 1139792748 /nfs/dbraw/zinc/79/27/48/1139792748.db2.gz LOHHWOMCNQYTAH-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Fc1ccc(CNc2nnc(SCCCn3cc[nH+]c3)s2)cc1 ZINC000180433847 1139834111 /nfs/dbraw/zinc/83/41/11/1139834111.db2.gz HOJYWNLOUNYAJQ-UHFFFAOYSA-N 1 2 349.460 3.668 20 0 EHADLO COc1ccccc1Nc1nnc(SCCCn2cc[nH+]c2)s1 ZINC000180429061 1139834750 /nfs/dbraw/zinc/83/47/50/1139834750.db2.gz XLWHKNATJNPMFD-UHFFFAOYSA-N 1 2 347.469 3.669 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000181033452 1139880542 /nfs/dbraw/zinc/88/05/42/1139880542.db2.gz RNOAZQAHHXKAKR-GOSISDBHSA-N 1 2 338.455 3.836 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000181033452 1139880550 /nfs/dbraw/zinc/88/05/50/1139880550.db2.gz RNOAZQAHHXKAKR-GOSISDBHSA-N 1 2 338.455 3.836 20 0 EHADLO C[C@H](c1nc2ccccc2o1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000181119662 1139886293 /nfs/dbraw/zinc/88/62/93/1139886293.db2.gz CRYSIEWYCDBGBE-HZPDHXFCSA-N 1 2 336.439 3.663 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000181282893 1139897989 /nfs/dbraw/zinc/89/79/89/1139897989.db2.gz IBLWULVLCFHVSD-KBPBESRZSA-N 1 2 338.411 3.690 20 0 EHADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(O)c3)n2)ccc1C ZINC000181523188 1139912172 /nfs/dbraw/zinc/91/21/72/1139912172.db2.gz MNSXJOAYRYJXRM-ZDUSSCGKSA-N 1 2 339.395 3.610 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(OC)cc1 ZINC000181828375 1139935129 /nfs/dbraw/zinc/93/51/29/1139935129.db2.gz UHBUTWSYBIIMEC-GOSISDBHSA-N 1 2 337.423 3.910 20 0 EHADLO CCCC[C@H]([NH2+]Cc1nc([C@H](C)OC)no1)c1ccc(OC)cc1 ZINC000182142815 1139953518 /nfs/dbraw/zinc/95/35/18/1139953518.db2.gz ICSOADDOBAFSMW-BBRMVZONSA-N 1 2 333.432 3.807 20 0 EHADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404056 1139970094 /nfs/dbraw/zinc/97/00/94/1139970094.db2.gz XAGLQAXHJAYEGZ-ZFWWWQNUSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404056 1139970095 /nfs/dbraw/zinc/97/00/95/1139970095.db2.gz XAGLQAXHJAYEGZ-ZFWWWQNUSA-N 1 2 344.484 3.801 20 0 EHADLO CC[C@H](C)C[N@H+](CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182533784 1139978708 /nfs/dbraw/zinc/97/87/08/1139978708.db2.gz UYUOCURKDOBJNC-ZDUSSCGKSA-N 1 2 332.473 3.658 20 0 EHADLO CC[C@H](C)C[N@@H+](CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182533784 1139978709 /nfs/dbraw/zinc/97/87/09/1139978709.db2.gz UYUOCURKDOBJNC-ZDUSSCGKSA-N 1 2 332.473 3.658 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182845499 1139997197 /nfs/dbraw/zinc/99/71/97/1139997197.db2.gz ITGHGDQPTFKAFU-AWEZNQCLSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182845499 1139997200 /nfs/dbraw/zinc/99/72/00/1139997200.db2.gz ITGHGDQPTFKAFU-AWEZNQCLSA-N 1 2 341.381 3.516 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(S(C)(=O)=O)cc1 ZINC000182955844 1140003142 /nfs/dbraw/zinc/00/31/42/1140003142.db2.gz LYGSFRLTLZIHCA-AWEZNQCLSA-N 1 2 344.480 3.646 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(S(C)(=O)=O)cc1 ZINC000182955844 1140003148 /nfs/dbraw/zinc/00/31/48/1140003148.db2.gz LYGSFRLTLZIHCA-AWEZNQCLSA-N 1 2 344.480 3.646 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1C ZINC000183555729 1140046369 /nfs/dbraw/zinc/04/63/69/1140046369.db2.gz DIQAFPSQWUWNEY-BXUZGUMPSA-N 1 2 334.441 3.941 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000184482481 1140105120 /nfs/dbraw/zinc/10/51/20/1140105120.db2.gz WKRITYLHVWVKHU-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000184482481 1140105123 /nfs/dbraw/zinc/10/51/23/1140105123.db2.gz WKRITYLHVWVKHU-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO OCC[C@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccco1 ZINC000184514476 1140107058 /nfs/dbraw/zinc/10/70/58/1140107058.db2.gz WIFJIDAZGSBAKO-ZDUSSCGKSA-N 1 2 344.636 3.909 20 0 EHADLO COc1cccc2c(N3CCC(Oc4cc(C)ccn4)CC3)cc[nH+]c12 ZINC000357450040 1140108430 /nfs/dbraw/zinc/10/84/30/1140108430.db2.gz GQJAQVZBJUGHIX-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)c(C)c1)c1ccc(C)o1 ZINC000184634826 1140112994 /nfs/dbraw/zinc/11/29/94/1140112994.db2.gz FUUGFRWMMZRNLG-RDJZCZTQSA-N 1 2 330.428 3.509 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)cccc1C)c1ccc(C)o1 ZINC000184731472 1140117417 /nfs/dbraw/zinc/11/74/17/1140117417.db2.gz VMUVXEUCICZFMM-HZPDHXFCSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(CC)Cc2ccccc2)cs1 ZINC000184733081 1140118103 /nfs/dbraw/zinc/11/81/03/1140118103.db2.gz ZYWCEMMGNBXOMM-LSDHHAIUSA-N 1 2 345.512 3.793 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000184999532 1140130289 /nfs/dbraw/zinc/13/02/89/1140130289.db2.gz CFKYOIYLHZOOGX-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000185699983 1140164196 /nfs/dbraw/zinc/16/41/96/1140164196.db2.gz XVBQPRRMHLAQDT-XJKSGUPXSA-N 1 2 348.397 3.613 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777422720 1140197969 /nfs/dbraw/zinc/19/79/69/1140197969.db2.gz TYNWDRZRXNJILZ-GJZGRUSLSA-N 1 2 344.833 3.867 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777422720 1140197970 /nfs/dbraw/zinc/19/79/70/1140197970.db2.gz TYNWDRZRXNJILZ-GJZGRUSLSA-N 1 2 344.833 3.867 20 0 EHADLO c1csc([C@H]2CSCC[N@H+]2CCCOCc2ccccc2)n1 ZINC000187039096 1140233844 /nfs/dbraw/zinc/23/38/44/1140233844.db2.gz MVYWCXLXNUICJG-MRXNPFEDSA-N 1 2 334.510 3.840 20 0 EHADLO c1csc([C@H]2CSCC[N@@H+]2CCCOCc2ccccc2)n1 ZINC000187039096 1140233849 /nfs/dbraw/zinc/23/38/49/1140233849.db2.gz MVYWCXLXNUICJG-MRXNPFEDSA-N 1 2 334.510 3.840 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCCc2ccccc2C1 ZINC000187676924 1140267473 /nfs/dbraw/zinc/26/74/73/1140267473.db2.gz QFQHDKHVNLIQEN-OAHLLOKOSA-N 1 2 329.465 3.600 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCCc2ccccc2C1 ZINC000187676924 1140267477 /nfs/dbraw/zinc/26/74/77/1140267477.db2.gz QFQHDKHVNLIQEN-OAHLLOKOSA-N 1 2 329.465 3.600 20 0 EHADLO COCCn1c(C)c(C)nc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000187851988 1140274111 /nfs/dbraw/zinc/27/41/11/1140274111.db2.gz CRKXWEZHHZAZCF-UHFFFAOYSA-N 1 2 342.468 3.624 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(c2ccsc2)CC1 ZINC000187983533 1140278890 /nfs/dbraw/zinc/27/88/90/1140278890.db2.gz BWLDTNVUTARXJK-UHFFFAOYSA-N 1 2 337.448 3.954 20 0 EHADLO O[C@@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)CC(F)(F)F ZINC000189310454 1140334479 /nfs/dbraw/zinc/33/44/79/1140334479.db2.gz DPYLLFGNQUITBW-CQSZACIVSA-N 1 2 349.356 3.962 20 0 EHADLO O[C@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)CC(F)(F)F ZINC000189310476 1140334672 /nfs/dbraw/zinc/33/46/72/1140334672.db2.gz DPYLLFGNQUITBW-AWEZNQCLSA-N 1 2 349.356 3.962 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000189974978 1140376324 /nfs/dbraw/zinc/37/63/24/1140376324.db2.gz CILDTCXOUOHDHX-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000189974978 1140376332 /nfs/dbraw/zinc/37/63/32/1140376332.db2.gz CILDTCXOUOHDHX-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000190013987 1140379716 /nfs/dbraw/zinc/37/97/16/1140379716.db2.gz QKBRTONUHSOYCD-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000190013987 1140379724 /nfs/dbraw/zinc/37/97/24/1140379724.db2.gz QKBRTONUHSOYCD-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190544375 1140409277 /nfs/dbraw/zinc/40/92/77/1140409277.db2.gz LHVVOQDAWZOEGT-GUYCJALGSA-N 1 2 346.862 3.692 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cn1 ZINC000191194182 1140444145 /nfs/dbraw/zinc/44/41/45/1140444145.db2.gz CRWDAMGTTNUSDC-UHFFFAOYSA-N 1 2 336.439 3.871 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000191639142 1140476294 /nfs/dbraw/zinc/47/62/94/1140476294.db2.gz YCVNKAYPWFYMRA-HNNXBMFYSA-N 1 2 344.459 3.578 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCS[C@H](C)CC2)c(Cl)c1 ZINC000192193002 1140509644 /nfs/dbraw/zinc/50/96/44/1140509644.db2.gz XCICPHNEISJOFP-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCS[C@H](C)CC2)c(Cl)c1 ZINC000192193002 1140509647 /nfs/dbraw/zinc/50/96/47/1140509647.db2.gz XCICPHNEISJOFP-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000192258556 1140516519 /nfs/dbraw/zinc/51/65/19/1140516519.db2.gz MJGZBTJUWZHNOY-UHFFFAOYSA-N 1 2 342.418 3.618 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000192470865 1140533664 /nfs/dbraw/zinc/53/36/64/1140533664.db2.gz OEZPRTXJAXGWSD-INIZCTEOSA-N 1 2 349.434 3.667 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000192471438 1140534701 /nfs/dbraw/zinc/53/47/01/1140534701.db2.gz UFYBFAPAOPYYDX-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000192746834 1140549469 /nfs/dbraw/zinc/54/94/69/1140549469.db2.gz SLHHKHINXZCXSM-GRDNDAEWSA-N 1 2 327.428 3.766 20 0 EHADLO COc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000194422017 1140609014 /nfs/dbraw/zinc/60/90/14/1140609014.db2.gz XXRLLWASSKDNNO-DOMZBBRYSA-N 1 2 348.834 3.660 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C(\C)C1CC1 ZINC000266460317 1140690586 /nfs/dbraw/zinc/69/05/86/1140690586.db2.gz ZLSYZVJIYTVRLT-JQIJEIRASA-N 1 2 327.472 3.503 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000266708338 1140717951 /nfs/dbraw/zinc/71/79/51/1140717951.db2.gz GXNVRWUANPMCAT-ZBFHGGJFSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000266708338 1140717957 /nfs/dbraw/zinc/71/79/57/1140717957.db2.gz GXNVRWUANPMCAT-ZBFHGGJFSA-N 1 2 347.434 3.932 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267458891 1140793818 /nfs/dbraw/zinc/79/38/18/1140793818.db2.gz JAHJVOGHDNCIET-JTQLQIEISA-N 1 2 341.308 3.587 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000267616925 1140810594 /nfs/dbraw/zinc/81/05/94/1140810594.db2.gz PIRQYCWJTBADSH-UHFFFAOYSA-N 1 2 338.407 3.657 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(Cc2ccccc2)CC1 ZINC000267637522 1140815513 /nfs/dbraw/zinc/81/55/13/1140815513.db2.gz PZTDTLKFTOHXHF-UHFFFAOYSA-N 1 2 345.446 3.571 20 0 EHADLO Fc1ccc([C@@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000268024024 1140868226 /nfs/dbraw/zinc/86/82/26/1140868226.db2.gz KERBIFUYEIOKQR-CYBMUJFWSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000268024024 1140868241 /nfs/dbraw/zinc/86/82/41/1140868241.db2.gz KERBIFUYEIOKQR-CYBMUJFWSA-N 1 2 327.325 3.574 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)c1 ZINC000268390617 1140932356 /nfs/dbraw/zinc/93/23/56/1140932356.db2.gz QJNMESYXJOYJSC-HKUYNNGSSA-N 1 2 337.467 3.641 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268397522 1140932518 /nfs/dbraw/zinc/93/25/18/1140932518.db2.gz OQQOKRLIDWFIHC-SNVBAGLBSA-N 1 2 341.308 3.587 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@H]1n1cc[nH+]c1 ZINC000268412971 1140935471 /nfs/dbraw/zinc/93/54/71/1140935471.db2.gz URHNKNUSRUTEPE-CMPLNLGQSA-N 1 2 347.469 3.669 20 0 EHADLO CCOc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000268446853 1140940091 /nfs/dbraw/zinc/94/00/91/1140940091.db2.gz ZGEDEBSQMWOQOO-PBHICJAKSA-N 1 2 342.443 3.705 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268731655 1140978369 /nfs/dbraw/zinc/97/83/69/1140978369.db2.gz UGLQERDBYIAOEL-MISYRCLQSA-N 1 2 341.499 3.525 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000268782715 1140990255 /nfs/dbraw/zinc/99/02/55/1140990255.db2.gz BBZWIYWHIJCUEM-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cs1 ZINC000268812298 1140998363 /nfs/dbraw/zinc/99/83/63/1140998363.db2.gz UQDOORRZMSTBTR-CYBMUJFWSA-N 1 2 339.258 3.827 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)c1nnc2n1CCCCC2 ZINC000268821352 1140999977 /nfs/dbraw/zinc/99/99/77/1140999977.db2.gz HFYJSXZVQZWCJY-GDBMZVCRSA-N 1 2 328.460 3.815 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000268911875 1141023962 /nfs/dbraw/zinc/02/39/62/1141023962.db2.gz OIBHKOJRNMDTDO-OCCSQVGLSA-N 1 2 341.484 3.583 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H](c2ccsc2)O1 ZINC000269009683 1141045055 /nfs/dbraw/zinc/04/50/55/1141045055.db2.gz MIJOZJPIKKWEPC-IAQYHMDHSA-N 1 2 331.466 3.715 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H](c2ccsc2)O1 ZINC000269009683 1141045060 /nfs/dbraw/zinc/04/50/60/1141045060.db2.gz MIJOZJPIKKWEPC-IAQYHMDHSA-N 1 2 331.466 3.715 20 0 EHADLO OCCC[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000269009815 1141045343 /nfs/dbraw/zinc/04/53/43/1141045343.db2.gz UJRZRFDRMLIEAZ-UHFFFAOYSA-N 1 2 328.437 3.788 20 0 EHADLO OCCC[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000269009815 1141045350 /nfs/dbraw/zinc/04/53/50/1141045350.db2.gz UJRZRFDRMLIEAZ-UHFFFAOYSA-N 1 2 328.437 3.788 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269864410 1141152338 /nfs/dbraw/zinc/15/23/38/1141152338.db2.gz WNGDSBZXLJXLHI-HNNXBMFYSA-N 1 2 341.459 3.504 20 0 EHADLO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270189327 1141189991 /nfs/dbraw/zinc/18/99/91/1141189991.db2.gz CRZDVPLMYWRLPE-LSDHHAIUSA-N 1 2 336.439 3.864 20 0 EHADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(F)cccc2F)cc1 ZINC000270231601 1141194519 /nfs/dbraw/zinc/19/45/19/1141194519.db2.gz OSMLKLDABDURGX-LBPRGKRZSA-N 1 2 339.407 3.609 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC1(Cl)Cl ZINC000270442499 1141224226 /nfs/dbraw/zinc/22/42/26/1141224226.db2.gz JXMRUQWMDRYENV-ZDUSSCGKSA-N 1 2 348.233 3.734 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)cc1OC ZINC000270645122 1141250579 /nfs/dbraw/zinc/25/05/79/1141250579.db2.gz SIYYSIPOVPVEMK-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)cc1OC ZINC000270645122 1141250583 /nfs/dbraw/zinc/25/05/83/1141250583.db2.gz SIYYSIPOVPVEMK-OAHLLOKOSA-N 1 2 328.412 3.906 20 0 EHADLO CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccncc1 ZINC000270982626 1141290820 /nfs/dbraw/zinc/29/08/20/1141290820.db2.gz GLXMWDMCGLDAJH-UHFFFAOYSA-N 1 2 332.451 3.778 20 0 EHADLO CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccncc1 ZINC000270982626 1141290822 /nfs/dbraw/zinc/29/08/22/1141290822.db2.gz GLXMWDMCGLDAJH-UHFFFAOYSA-N 1 2 332.451 3.778 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271045243 1141299630 /nfs/dbraw/zinc/29/96/30/1141299630.db2.gz QIKUOXJXYRPAOK-GOSISDBHSA-N 1 2 343.496 3.625 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc3ccsc32)C[C@@H]1n1cc[nH+]c1 ZINC000274279370 1141492662 /nfs/dbraw/zinc/49/26/62/1141492662.db2.gz DGNPWVFUVHSMSV-CJNGLKHVSA-N 1 2 325.437 3.821 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cl)ccc1Cl)C(=O)NCC1CCCC1 ZINC000274298383 1141494873 /nfs/dbraw/zinc/49/48/73/1141494873.db2.gz JBPIJBZIAQSYPR-UHFFFAOYSA-N 1 2 344.286 3.563 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000274362072 1141503817 /nfs/dbraw/zinc/50/38/17/1141503817.db2.gz ZZGRNSLOEMZAHO-LHSJRXKWSA-N 1 2 343.279 3.598 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339168684 1141516494 /nfs/dbraw/zinc/51/64/94/1141516494.db2.gz CUIVMVXTDSKLNC-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339168684 1141516497 /nfs/dbraw/zinc/51/64/97/1141516497.db2.gz CUIVMVXTDSKLNC-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339168682 1141516582 /nfs/dbraw/zinc/51/65/82/1141516582.db2.gz CUIVMVXTDSKLNC-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339168682 1141516587 /nfs/dbraw/zinc/51/65/87/1141516587.db2.gz CUIVMVXTDSKLNC-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]3c3ccc(Cl)cc3)on2)cn1 ZINC000274413732 1141521031 /nfs/dbraw/zinc/52/10/31/1141521031.db2.gz MQQPEFGCJGLYQK-QGZVFWFLSA-N 1 2 328.803 3.676 20 0 EHADLO Cn1cc(-c2cc(C[N@H+]3CC[C@@H]3c3ccc(Cl)cc3)on2)cn1 ZINC000274413732 1141521034 /nfs/dbraw/zinc/52/10/34/1141521034.db2.gz MQQPEFGCJGLYQK-QGZVFWFLSA-N 1 2 328.803 3.676 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000339201506 1141526720 /nfs/dbraw/zinc/52/67/20/1141526720.db2.gz SRLQZOIFTOZQEC-DOTOQJQBSA-N 1 2 329.419 3.695 20 0 EHADLO Cc1cc(Br)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274440438 1141529119 /nfs/dbraw/zinc/52/91/19/1141529119.db2.gz JMWDKTIINHUKBV-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000274464239 1141536629 /nfs/dbraw/zinc/53/66/29/1141536629.db2.gz CIBRBOCYBJERHD-UHFFFAOYSA-N 1 2 349.352 3.904 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)c(C2CCCCC2)n1 ZINC000348873932 1141601925 /nfs/dbraw/zinc/60/19/25/1141601925.db2.gz GKUPMDZHUPBMBD-UHFFFAOYSA-N 1 2 341.455 3.568 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3cc(O)ccc3C2)c(C2CCCCC2)n1 ZINC000348873932 1141601927 /nfs/dbraw/zinc/60/19/27/1141601927.db2.gz GKUPMDZHUPBMBD-UHFFFAOYSA-N 1 2 341.455 3.568 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2cccnc2)nc2ccc(Cl)cc21 ZINC000348919747 1141609400 /nfs/dbraw/zinc/60/94/00/1141609400.db2.gz GRJLTFJVMPVAAQ-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2cccnc2)nc2ccc(Cl)cc21 ZINC000348919747 1141609402 /nfs/dbraw/zinc/60/94/02/1141609402.db2.gz GRJLTFJVMPVAAQ-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO COCC[N@H+](Cc1cnc(C2CCCC2)s1)Cc1cccnc1 ZINC000348968391 1141617597 /nfs/dbraw/zinc/61/75/97/1141617597.db2.gz RSBGKDZOEPSVQV-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO COCC[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1cccnc1 ZINC000348968391 1141617599 /nfs/dbraw/zinc/61/75/99/1141617599.db2.gz RSBGKDZOEPSVQV-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc2c3c(cccc31)CC2 ZINC000349034763 1141625499 /nfs/dbraw/zinc/62/54/99/1141625499.db2.gz ILBOMTQBELTSOU-UHFFFAOYSA-N 1 2 345.446 3.743 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083659 1141636121 /nfs/dbraw/zinc/63/61/21/1141636121.db2.gz YOJGDEMWJOXIHC-BGGTVIOKSA-N 1 2 344.409 3.853 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083659 1141636124 /nfs/dbraw/zinc/63/61/24/1141636124.db2.gz YOJGDEMWJOXIHC-BGGTVIOKSA-N 1 2 344.409 3.853 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2F)nc1C1CC1 ZINC000349124757 1141642008 /nfs/dbraw/zinc/64/20/08/1141642008.db2.gz CJYNPHGDVBJXRP-UHFFFAOYSA-N 1 2 348.805 3.828 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)c[nH+]1 ZINC001299356244 1141644383 /nfs/dbraw/zinc/64/43/83/1141644383.db2.gz LNGZXKLGYCRBNB-UHFFFAOYSA-N 1 2 341.798 3.937 20 0 EHADLO CCC[N@H+](CC(=O)NC1CC1)[C@H](C)c1ccccc1Br ZINC000052134831 214118749 /nfs/dbraw/zinc/11/87/49/214118749.db2.gz SKMDUFTWLDKURH-GFCCVEGCSA-N 1 2 339.277 3.501 20 0 EHADLO CCC[N@@H+](CC(=O)NC1CC1)[C@H](C)c1ccccc1Br ZINC000052134831 214118752 /nfs/dbraw/zinc/11/87/52/214118752.db2.gz SKMDUFTWLDKURH-GFCCVEGCSA-N 1 2 339.277 3.501 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000098070769 219077363 /nfs/dbraw/zinc/07/73/63/219077363.db2.gz QFDOIYXKNKUCDM-XJKSGUPXSA-N 1 2 343.496 3.881 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000098070769 219077365 /nfs/dbraw/zinc/07/73/65/219077365.db2.gz QFDOIYXKNKUCDM-XJKSGUPXSA-N 1 2 343.496 3.881 20 0 EHADLO CC1=NN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000049637106 214023555 /nfs/dbraw/zinc/02/35/55/214023555.db2.gz PRMPNCMDBXHZNE-UHFFFAOYSA-N 1 2 345.406 3.711 20 0 EHADLO C[C@@H](Nc1nc2ccccc2o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525460772 478393364 /nfs/dbraw/zinc/39/33/64/478393364.db2.gz OORPTBVPIZKSOY-BEFAXECRSA-N 1 2 337.423 3.529 20 0 EHADLO C[C@@H](Nc1nc2ccccc2o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525460772 478393373 /nfs/dbraw/zinc/39/33/73/478393373.db2.gz OORPTBVPIZKSOY-BEFAXECRSA-N 1 2 337.423 3.529 20 0 EHADLO COc1cc(Br)c(C[NH2+][C@H](C)c2ccco2)cc1OC ZINC000035012610 522022545 /nfs/dbraw/zinc/02/25/45/522022545.db2.gz PEAYUOMYNMJFMA-SNVBAGLBSA-N 1 2 340.217 3.910 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532232 609134665 /nfs/dbraw/zinc/13/46/65/609134665.db2.gz SUINGRAIMKVLGP-UWVGGRQHSA-N 1 2 347.344 3.696 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)ccc1[NH+](C)C ZINC000826270661 609277779 /nfs/dbraw/zinc/27/77/79/609277779.db2.gz JXWIIUVFQQXROG-LBPRGKRZSA-N 1 2 340.406 3.553 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392402 1032070333 /nfs/dbraw/zinc/07/03/33/1032070333.db2.gz ZZBZYNSRTCYQLY-UHFFFAOYSA-N 1 2 327.211 3.735 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392402 1032070348 /nfs/dbraw/zinc/07/03/48/1032070348.db2.gz ZZBZYNSRTCYQLY-UHFFFAOYSA-N 1 2 327.211 3.735 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1 ZINC000620132202 1125480153 /nfs/dbraw/zinc/48/01/53/1125480153.db2.gz IUCQSXZHGCRNNE-FQEVSTJZSA-N 1 2 340.467 3.703 20 0 EHADLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccsc2C)n1 ZINC000339291051 1014169511 /nfs/dbraw/zinc/16/95/11/1014169511.db2.gz RDGJUGRNZXPTRR-NSHDSACASA-N 1 2 329.425 3.966 20 0 EHADLO CSCc1cnc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000339301939 1014191422 /nfs/dbraw/zinc/19/14/22/1014191422.db2.gz LVMSYYDDZUXACE-UHFFFAOYSA-N 1 2 334.445 3.943 20 0 EHADLO Oc1cccc(CNc2ccccc2OCCn2cc[nH+]c2)c1Cl ZINC000339308518 1014200404 /nfs/dbraw/zinc/20/04/04/1014200404.db2.gz AJRUCYDJYNTTKQ-UHFFFAOYSA-N 1 2 343.814 3.933 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(C)ccc1OC ZINC000090232684 1014226519 /nfs/dbraw/zinc/22/65/19/1014226519.db2.gz KUVFUOILCYOZPW-LJQANCHMSA-N 1 2 336.439 3.825 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000579729239 1014304414 /nfs/dbraw/zinc/30/44/14/1014304414.db2.gz MXXCILVUSXOSJT-JOCHJYFZSA-N 1 2 349.478 3.684 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000579729239 1014304427 /nfs/dbraw/zinc/30/44/27/1014304427.db2.gz MXXCILVUSXOSJT-JOCHJYFZSA-N 1 2 349.478 3.684 20 0 EHADLO Cc1cn2cc(NC(=O)CCOc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000339394810 1014329740 /nfs/dbraw/zinc/32/97/40/1014329740.db2.gz YMBHSVHXUFPUCB-UHFFFAOYSA-N 1 2 329.787 3.704 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683113044 1014349270 /nfs/dbraw/zinc/34/92/70/1014349270.db2.gz BQDMTOKOQZCGLO-HOTGVXAUSA-N 1 2 336.435 3.661 20 0 EHADLO Cc1[nH+]cc(C2CC2)cc1Nc1c(Br)cccc1C(N)=O ZINC001213501117 1014398673 /nfs/dbraw/zinc/39/86/73/1014398673.db2.gz ITVNHIDGMMRGSJ-UHFFFAOYSA-N 1 2 346.228 3.872 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000339473792 1014542282 /nfs/dbraw/zinc/54/22/82/1014542282.db2.gz SNCIVJVABONZQU-RKFCVKKLSA-N 1 2 341.499 3.733 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339474853 1014547399 /nfs/dbraw/zinc/54/73/99/1014547399.db2.gz BCBCYZCCYOVXLM-QZTJIDSGSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339476217 1014550517 /nfs/dbraw/zinc/55/05/17/1014550517.db2.gz LTIQAOPCOKIZMR-OLZOCXBDSA-N 1 2 349.887 3.570 20 0 EHADLO CCC[C@H](CC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497954 1032094921 /nfs/dbraw/zinc/09/49/21/1032094921.db2.gz LOAKIJXMWSZHQV-INIZCTEOSA-N 1 2 329.444 3.863 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000355813047 1014620601 /nfs/dbraw/zinc/62/06/01/1014620601.db2.gz NNCZMPKUQMKHET-OAQYLSRUSA-N 1 2 331.419 3.517 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000355813047 1014620610 /nfs/dbraw/zinc/62/06/10/1014620610.db2.gz NNCZMPKUQMKHET-OAQYLSRUSA-N 1 2 331.419 3.517 20 0 EHADLO CC[C@]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)(C(=O)[O-])c1ccccc1 ZINC001595298811 980421050 /nfs/dbraw/zinc/42/10/50/980421050.db2.gz DJTWSZMVIGVGLX-OAQYLSRUSA-N 1 2 349.434 3.660 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000274729050 1014702496 /nfs/dbraw/zinc/70/24/96/1014702496.db2.gz WGPPVHVDDYICFI-AWEZNQCLSA-N 1 2 346.862 3.514 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@H](C)CSc2ccccc2)c(C)c[nH+]1 ZINC000650106953 1014852089 /nfs/dbraw/zinc/85/20/89/1014852089.db2.gz HHNODGPGFFACGX-OAHLLOKOSA-N 1 2 329.469 3.765 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000655053428 1014890580 /nfs/dbraw/zinc/89/05/80/1014890580.db2.gz VMKKIPIVWPSVLV-CYBMUJFWSA-N 1 2 349.837 3.729 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000655053428 1014890593 /nfs/dbraw/zinc/89/05/93/1014890593.db2.gz VMKKIPIVWPSVLV-CYBMUJFWSA-N 1 2 349.837 3.729 20 0 EHADLO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1csnn1 ZINC000430219153 1015070095 /nfs/dbraw/zinc/07/00/95/1015070095.db2.gz LZMNWFKOCPSRAP-ZDUSSCGKSA-N 1 2 338.274 3.714 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CNc1ccc(N(C)C)c[nH+]1 ZINC000459426802 1032109680 /nfs/dbraw/zinc/10/96/80/1032109680.db2.gz FAYQCKGAUNNIRU-UHFFFAOYSA-N 1 2 327.457 3.655 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)ccc1Br ZINC000430229455 1015126339 /nfs/dbraw/zinc/12/63/39/1015126339.db2.gz VRFIESYVVLGQEE-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)ccc1Br ZINC000430229455 1015126343 /nfs/dbraw/zinc/12/63/43/1015126343.db2.gz VRFIESYVVLGQEE-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c(C)n1C ZINC000533386968 1015196806 /nfs/dbraw/zinc/19/68/06/1015196806.db2.gz LMGHMBBPAGQVPF-MRXNPFEDSA-N 1 2 331.485 3.599 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c(C)n1C ZINC000533386968 1015196812 /nfs/dbraw/zinc/19/68/12/1015196812.db2.gz LMGHMBBPAGQVPF-MRXNPFEDSA-N 1 2 331.485 3.599 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2c(c1)CCCC2 ZINC000430248119 1015263755 /nfs/dbraw/zinc/26/37/55/1015263755.db2.gz ITXUFSQSMBDCIF-UHFFFAOYSA-N 1 2 334.423 3.642 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2c(c1)CCCC2 ZINC000430248119 1015263760 /nfs/dbraw/zinc/26/37/60/1015263760.db2.gz ITXUFSQSMBDCIF-UHFFFAOYSA-N 1 2 334.423 3.642 20 0 EHADLO Brc1cccc2[nH]cc(C[N@@H+]3CCc4cccnc4C3)c21 ZINC001139965973 1015315115 /nfs/dbraw/zinc/31/51/15/1015315115.db2.gz FBKNOTPPSVUJDG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2[nH]cc(C[N@H+]3CCc4cccnc4C3)c21 ZINC001139965973 1015315123 /nfs/dbraw/zinc/31/51/23/1015315123.db2.gz FBKNOTPPSVUJDG-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO C[C@@H]1Cc2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c2O1 ZINC001125301937 1015324360 /nfs/dbraw/zinc/32/43/60/1015324360.db2.gz ZBOTVPOOICYICN-GFCCVEGCSA-N 1 2 337.354 3.587 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2occc2s1 ZINC000683257792 1015559779 /nfs/dbraw/zinc/55/97/79/1015559779.db2.gz ZHHJHIQRSGWEBY-UHFFFAOYSA-N 1 2 331.441 3.806 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(C)n2-c2ccccc2)c1 ZINC000339709642 1015586601 /nfs/dbraw/zinc/58/66/01/1015586601.db2.gz YRBGFKDIIWOFJJ-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339786918 1015670868 /nfs/dbraw/zinc/67/08/68/1015670868.db2.gz MSEYNUCAOFDIBB-CYBMUJFWSA-N 1 2 344.455 3.933 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339786918 1015670874 /nfs/dbraw/zinc/67/08/74/1015670874.db2.gz MSEYNUCAOFDIBB-CYBMUJFWSA-N 1 2 344.455 3.933 20 0 EHADLO COCC1=CC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000275019145 1015755052 /nfs/dbraw/zinc/75/50/52/1015755052.db2.gz TUXNOVBUERZLLC-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO COCC1=CC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000275019145 1015755056 /nfs/dbraw/zinc/75/50/56/1015755056.db2.gz TUXNOVBUERZLLC-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000120700672 1015890510 /nfs/dbraw/zinc/89/05/10/1015890510.db2.gz WNSQRHZWCCQTDE-YJBOKZPZSA-N 1 2 326.444 3.592 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000077582045 1015889020 /nfs/dbraw/zinc/88/90/20/1015889020.db2.gz QZZNLMASJGVDGC-LGMDPLHJSA-N 1 2 331.419 3.651 20 0 EHADLO COCc1ncc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)s1 ZINC000375603884 1015890244 /nfs/dbraw/zinc/89/02/44/1015890244.db2.gz CBRUGBUOHNLSAI-UHFFFAOYSA-N 1 2 342.424 3.549 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000183097201 1032131912 /nfs/dbraw/zinc/13/19/12/1032131912.db2.gz RERMMBYHPXVMOS-GFCCVEGCSA-N 1 2 342.365 3.684 20 0 EHADLO Clc1cnccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430299217 1015925654 /nfs/dbraw/zinc/92/56/54/1015925654.db2.gz DUODDVACGAWFBN-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO Clc1cnccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430299217 1015925662 /nfs/dbraw/zinc/92/56/62/1015925662.db2.gz DUODDVACGAWFBN-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000048040320 1016047717 /nfs/dbraw/zinc/04/77/17/1016047717.db2.gz XRSTXIMWEZMHHF-SFHVURJKSA-N 1 2 341.842 3.961 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1 ZINC000275214367 1016155975 /nfs/dbraw/zinc/15/59/75/1016155975.db2.gz BBVVSGJPFJHNMM-FUHWJXTLSA-N 1 2 342.443 3.585 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155181379 1016269029 /nfs/dbraw/zinc/26/90/29/1016269029.db2.gz UEVIVXACSPQAGM-KRWDZBQOSA-N 1 2 342.487 3.810 20 0 EHADLO CCOC1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCCC1 ZINC000375607559 1016346957 /nfs/dbraw/zinc/34/69/57/1016346957.db2.gz UGMZDXATLXSMMO-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCCC1 ZINC000510184451 1016362585 /nfs/dbraw/zinc/36/25/85/1016362585.db2.gz IFRRZOYCDOLEEE-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC=CCC2)C[C@@H](C)O1 ZINC000247080347 1016427065 /nfs/dbraw/zinc/42/70/65/1016427065.db2.gz ZIDJDGVESBIRNB-JFIYKMOQSA-N 1 2 343.471 3.526 20 0 EHADLO CCc1cc(C)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000407960477 1016487722 /nfs/dbraw/zinc/48/77/22/1016487722.db2.gz YBXLTOUUQLFZOK-OAHLLOKOSA-N 1 2 341.455 3.703 20 0 EHADLO Fc1ccc(NC(=S)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000782891520 1016557763 /nfs/dbraw/zinc/55/77/63/1016557763.db2.gz ZVWZAPTUPNYSOD-UHFFFAOYSA-N 1 2 346.475 3.911 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197702 1016681269 /nfs/dbraw/zinc/68/12/69/1016681269.db2.gz ACUIOSOBYAPZBK-FZMZJTMJSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197702 1016681279 /nfs/dbraw/zinc/68/12/79/1016681279.db2.gz ACUIOSOBYAPZBK-FZMZJTMJSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201993 1016690432 /nfs/dbraw/zinc/69/04/32/1016690432.db2.gz JJXZJJPNRJWACM-BBRMVZONSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201993 1016690440 /nfs/dbraw/zinc/69/04/40/1016690440.db2.gz JJXZJJPNRJWACM-BBRMVZONSA-N 1 2 340.345 3.619 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000510247439 1016706969 /nfs/dbraw/zinc/70/69/69/1016706969.db2.gz XQXUGCQHNRLWSS-LLVKDONJSA-N 1 2 338.776 3.919 20 0 EHADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)ccc1C ZINC000178573282 1016723534 /nfs/dbraw/zinc/72/35/34/1016723534.db2.gz AFVDDKHMQAJZJC-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)ccc1C ZINC000178573282 1016723549 /nfs/dbraw/zinc/72/35/49/1016723549.db2.gz AFVDDKHMQAJZJC-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000178729149 1016760724 /nfs/dbraw/zinc/76/07/24/1016760724.db2.gz CXUYZPMGUKNEDF-UHFFFAOYSA-N 1 2 340.471 3.828 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000275446327 1016796117 /nfs/dbraw/zinc/79/61/17/1016796117.db2.gz LCNRJIYEDOXYME-LBPRGKRZSA-N 1 2 336.823 3.534 20 0 EHADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)cc1F ZINC000706017174 1016842114 /nfs/dbraw/zinc/84/21/14/1016842114.db2.gz RPNJRWPDQYOMIL-DYVFJYSZSA-N 1 2 341.386 3.789 20 0 EHADLO Fc1nc(F)c(F)c(N2CCC(CCCn3cc[nH+]c3)CC2)c1F ZINC000782977544 1016924363 /nfs/dbraw/zinc/92/43/63/1016924363.db2.gz HDYBRNFMPDNXSN-UHFFFAOYSA-N 1 2 342.340 3.531 20 0 EHADLO O=C(c1c[nH]cc1-c1ccccc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278809175 1016945425 /nfs/dbraw/zinc/94/54/25/1016945425.db2.gz XFDGYIRGBQJWBH-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO COc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000431835594 1016976701 /nfs/dbraw/zinc/97/67/01/1016976701.db2.gz PEGDORZGHALGQK-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)n1 ZINC000547837298 1017014952 /nfs/dbraw/zinc/01/49/52/1017014952.db2.gz AXTZOQBNDHWUJA-FQEVSTJZSA-N 1 2 341.455 3.680 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)n1 ZINC000547837298 1017014963 /nfs/dbraw/zinc/01/49/63/1017014963.db2.gz AXTZOQBNDHWUJA-FQEVSTJZSA-N 1 2 341.455 3.680 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000376740384 1017040511 /nfs/dbraw/zinc/04/05/11/1017040511.db2.gz UJURZLGKKQVDHI-AWEZNQCLSA-N 1 2 334.851 3.690 20 0 EHADLO OCC1CCN(c2[nH+]cccc2NCc2ccc(C3CC3)cc2)CC1 ZINC000459460368 1032158753 /nfs/dbraw/zinc/15/87/53/1032158753.db2.gz SNIYHIIWHCUBSY-UHFFFAOYSA-N 1 2 337.467 3.780 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)nc2c1 ZINC000528354728 1032161771 /nfs/dbraw/zinc/16/17/71/1032161771.db2.gz ZUKJIBUOADCOMO-UHFFFAOYSA-N 1 2 343.418 3.675 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CCCN(CC(F)(F)F)CC3)nc2c1 ZINC000528354728 1032161776 /nfs/dbraw/zinc/16/17/76/1032161776.db2.gz ZUKJIBUOADCOMO-UHFFFAOYSA-N 1 2 343.418 3.675 20 0 EHADLO C[C@H]1C[C@@H](NCc2ccc(O)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379625617 1032182156 /nfs/dbraw/zinc/18/21/56/1032182156.db2.gz FWRARHXBISILAA-YJBOKZPZSA-N 1 2 328.431 3.674 20 0 EHADLO C[C@H]1C[C@@H](NCc2ccc(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379625617 1032182164 /nfs/dbraw/zinc/18/21/64/1032182164.db2.gz FWRARHXBISILAA-YJBOKZPZSA-N 1 2 328.431 3.674 20 0 EHADLO C[C@@H]1C[C@@H](NCc2ccc(O)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379625614 1032183125 /nfs/dbraw/zinc/18/31/25/1032183125.db2.gz FWRARHXBISILAA-QAPCUYQASA-N 1 2 328.431 3.674 20 0 EHADLO C[C@@H]1C[C@@H](NCc2ccc(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379625614 1032183135 /nfs/dbraw/zinc/18/31/35/1032183135.db2.gz FWRARHXBISILAA-QAPCUYQASA-N 1 2 328.431 3.674 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000584354331 1032185064 /nfs/dbraw/zinc/18/50/64/1032185064.db2.gz KJRWFQFCPBHRDO-BEFAXECRSA-N 1 2 329.419 3.597 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000584358045 1032196449 /nfs/dbraw/zinc/19/64/49/1032196449.db2.gz BPJIMYYCZSNVII-WDSOQIARSA-N 1 2 337.467 3.800 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(Cl)c1 ZINC000459500243 1032200191 /nfs/dbraw/zinc/20/01/91/1032200191.db2.gz GEDZSJDWGHGNOX-CYBMUJFWSA-N 1 2 327.827 3.557 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(Cl)c1 ZINC000459500243 1032200205 /nfs/dbraw/zinc/20/02/05/1032200205.db2.gz GEDZSJDWGHGNOX-CYBMUJFWSA-N 1 2 327.827 3.557 20 0 EHADLO CSc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184022245 1032225249 /nfs/dbraw/zinc/22/52/49/1032225249.db2.gz DVNYKZNSVMXJLE-UHFFFAOYSA-N 1 2 342.468 3.548 20 0 EHADLO Cc1ccn2cc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)nc2c1 ZINC000449131701 1032226958 /nfs/dbraw/zinc/22/69/58/1032226958.db2.gz OYPWVGTYPPHEDR-CQSZACIVSA-N 1 2 331.341 3.837 20 0 EHADLO CC1=CCC[C@@H](C)[C@H]1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000538271842 1032261148 /nfs/dbraw/zinc/26/11/48/1032261148.db2.gz WCRHTYOINJXAPY-APWZRJJASA-N 1 2 329.488 3.695 20 0 EHADLO CCC1(CO)CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528427947 1032261784 /nfs/dbraw/zinc/26/17/84/1032261784.db2.gz BDFBKMQSWDSOPW-UHFFFAOYSA-N 1 2 348.231 3.712 20 0 EHADLO Cc1ccc2sc(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)nc2c1 ZINC000528420927 1032273899 /nfs/dbraw/zinc/27/38/99/1032273899.db2.gz MHFXKCZMZYBXER-OAHLLOKOSA-N 1 2 326.469 3.848 20 0 EHADLO Cc1ccc2sc(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)nc2c1 ZINC000528420927 1032273902 /nfs/dbraw/zinc/27/39/02/1032273902.db2.gz MHFXKCZMZYBXER-OAHLLOKOSA-N 1 2 326.469 3.848 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459571697 1032298591 /nfs/dbraw/zinc/29/85/91/1032298591.db2.gz SGXOBQIGDRGKJV-MGPLVRAMSA-N 1 2 334.213 3.767 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000081487281 1032312786 /nfs/dbraw/zinc/31/27/86/1032312786.db2.gz UUSIVUCGAJGSBG-LBPRGKRZSA-N 1 2 338.814 3.516 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCCC12CC2 ZINC000528465959 1032334810 /nfs/dbraw/zinc/33/48/10/1032334810.db2.gz RDBLNAGSYVFKHP-KRWDZBQOSA-N 1 2 327.472 3.659 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([S@@](C)=O)cc1 ZINC000278750710 1032342162 /nfs/dbraw/zinc/34/21/62/1032342162.db2.gz WHILTLLECDZYED-GTUYJWLHSA-N 1 2 348.415 3.750 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccnc(Cl)c3)n2)c1 ZINC000185108178 1032365718 /nfs/dbraw/zinc/36/57/18/1032365718.db2.gz QZRBOCYUFFPXAP-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528501896 1032366826 /nfs/dbraw/zinc/36/68/26/1032366826.db2.gz FRFZTNJEMKEOJY-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528501896 1032366829 /nfs/dbraw/zinc/36/68/29/1032366829.db2.gz FRFZTNJEMKEOJY-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO O=[S@@](CCOC1CCCCC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000905196431 1032368267 /nfs/dbraw/zinc/36/82/67/1032368267.db2.gz SITNVEIGBAOYIY-DEOSSOPVSA-N 1 2 346.496 3.529 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185268076 1032373521 /nfs/dbraw/zinc/37/35/21/1032373521.db2.gz ZLSAMPIEJRLEOA-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000185330065 1032380266 /nfs/dbraw/zinc/38/02/66/1032380266.db2.gz QJKZVAPDIOQPCS-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000185330065 1032380276 /nfs/dbraw/zinc/38/02/76/1032380276.db2.gz QJKZVAPDIOQPCS-NSHDSACASA-N 1 2 331.322 3.597 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 ZINC000278760591 1032436671 /nfs/dbraw/zinc/43/66/71/1032436671.db2.gz MRECRULEQWNATP-HNNXBMFYSA-N 1 2 346.299 3.856 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc(-c3ccccn3)s2)o1 ZINC000084664996 1032446791 /nfs/dbraw/zinc/44/67/91/1032446791.db2.gz MVOZIQYWQCSMHV-INIZCTEOSA-N 1 2 343.452 3.838 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccn(C)n2)cc1Cl ZINC000459739032 1032453964 /nfs/dbraw/zinc/45/39/64/1032453964.db2.gz APFYFWGCLFUUMT-JTQLQIEISA-N 1 2 342.668 3.995 20 0 EHADLO O=S(=O)(Cc1ccccc1Cl)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000170033883 1032461031 /nfs/dbraw/zinc/46/10/31/1032461031.db2.gz IPJPVGPZYMHLNW-UHFFFAOYSA-N 1 2 347.827 3.672 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@H](CCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000449365068 1032480383 /nfs/dbraw/zinc/48/03/83/1032480383.db2.gz UXCXRHKOHGKWIS-GOSISDBHSA-N 1 2 343.471 3.541 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cs1 ZINC000537061983 1032498065 /nfs/dbraw/zinc/49/80/65/1032498065.db2.gz DUHHLMROQMHANA-ZDUSSCGKSA-N 1 2 348.468 3.958 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449399626 1032522579 /nfs/dbraw/zinc/52/25/79/1032522579.db2.gz CHLOBEJAEZBKRW-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(-c4ncco4)ccc3C)[nH+]c12 ZINC000089618385 1032532470 /nfs/dbraw/zinc/53/24/70/1032532470.db2.gz YPUNRTIDHDXNIK-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000449423531 1032536102 /nfs/dbraw/zinc/53/61/02/1032536102.db2.gz OBYSYEBIVBKKRS-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000449423531 1032536112 /nfs/dbraw/zinc/53/61/12/1032536112.db2.gz OBYSYEBIVBKKRS-FUHWJXTLSA-N 1 2 337.797 3.779 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000089970450 1032549325 /nfs/dbraw/zinc/54/93/25/1032549325.db2.gz UQKDQQBJRBULBV-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO COc1cc(C)cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000537205699 1032568046 /nfs/dbraw/zinc/56/80/46/1032568046.db2.gz NMNXDFIHWIJYIU-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO CCCC(=O)NC[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088614 1032570721 /nfs/dbraw/zinc/57/07/21/1032570721.db2.gz FVDQPKLPFQQGLH-MRXNPFEDSA-N 1 2 346.519 3.856 20 0 EHADLO O[C@]1(C(F)F)CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000449471847 1032590692 /nfs/dbraw/zinc/59/06/92/1032590692.db2.gz PHQWEGXBHJQXRG-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@]1(C(F)F)CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000449471847 1032590700 /nfs/dbraw/zinc/59/07/00/1032590700.db2.gz PHQWEGXBHJQXRG-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO CC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1F ZINC000606235001 1032611569 /nfs/dbraw/zinc/61/15/69/1032611569.db2.gz IJJYTYLMUAJGFU-KRWDZBQOSA-N 1 2 343.377 3.731 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCC(C)(C)C)CC2)cc1 ZINC000606347581 1032631289 /nfs/dbraw/zinc/63/12/89/1032631289.db2.gz FHFCYUOJWVHYDJ-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172364805 1032638538 /nfs/dbraw/zinc/63/85/38/1032638538.db2.gz QTXYECNQNPWVAJ-LJQANCHMSA-N 1 2 349.438 3.560 20 0 EHADLO O=C(C[N@@H+]1CCCc2sccc2C1)Nc1cc(Cl)ccc1F ZINC000592981938 1032650291 /nfs/dbraw/zinc/65/02/91/1032650291.db2.gz QGIRJZWGXFPNNT-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO O=C(C[N@H+]1CCCc2sccc2C1)Nc1cc(Cl)ccc1F ZINC000592981938 1032650315 /nfs/dbraw/zinc/65/03/15/1032650315.db2.gz QGIRJZWGXFPNNT-UHFFFAOYSA-N 1 2 338.835 3.928 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCCc2sccc2C1 ZINC000592981967 1032652786 /nfs/dbraw/zinc/65/27/86/1032652786.db2.gz TZNNRGCKDUPFIG-NSHDSACASA-N 1 2 336.407 3.802 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCCc2sccc2C1 ZINC000592981967 1032652792 /nfs/dbraw/zinc/65/27/92/1032652792.db2.gz TZNNRGCKDUPFIG-NSHDSACASA-N 1 2 336.407 3.802 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)c1 ZINC000592981993 1032653094 /nfs/dbraw/zinc/65/30/94/1032653094.db2.gz WQDRICUHORUQPE-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)c1 ZINC000592981993 1032653107 /nfs/dbraw/zinc/65/31/07/1032653107.db2.gz WQDRICUHORUQPE-ZDUSSCGKSA-N 1 2 342.464 3.726 20 0 EHADLO CSCc1cc(F)ccc1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602113742 1032659127 /nfs/dbraw/zinc/65/91/27/1032659127.db2.gz PKXVCGUTMXATIL-QGZVFWFLSA-N 1 2 349.475 3.789 20 0 EHADLO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677035 1032682474 /nfs/dbraw/zinc/68/24/74/1032682474.db2.gz OXZDRNUAVONRCT-BQYQJAHWSA-N 1 2 346.883 3.759 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000135617422 1017332998 /nfs/dbraw/zinc/33/29/98/1017332998.db2.gz HONVMASLTHLVEG-ZDUSSCGKSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000135617422 1017333012 /nfs/dbraw/zinc/33/30/12/1017333012.db2.gz HONVMASLTHLVEG-ZDUSSCGKSA-N 1 2 328.441 3.646 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC2CCC1CC2 ZINC000431838967 1017358700 /nfs/dbraw/zinc/35/87/00/1017358700.db2.gz APIYMHNMBITOAA-VMWRSERWSA-N 1 2 327.472 3.514 20 0 EHADLO CC(C)CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCCC1 ZINC000635448804 1032697015 /nfs/dbraw/zinc/69/70/15/1032697015.db2.gz XVTAADDBOXMYEH-AWEZNQCLSA-N 1 2 331.382 3.804 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606450853 1032694021 /nfs/dbraw/zinc/69/40/21/1032694021.db2.gz UNPWNDIURRGJKA-GJYPPUQNSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606450853 1032694026 /nfs/dbraw/zinc/69/40/26/1032694026.db2.gz UNPWNDIURRGJKA-GJYPPUQNSA-N 1 2 344.474 3.926 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](C2CCCCC2)C1 ZINC000618182677 1017490023 /nfs/dbraw/zinc/49/00/23/1017490023.db2.gz NHQQMTGIEWPGPJ-FQEVSTJZSA-N 1 2 337.467 3.974 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)CC(C)(C)C ZINC000510288745 1017513142 /nfs/dbraw/zinc/51/31/42/1017513142.db2.gz GYDGZQPWHAHXOU-UHFFFAOYSA-N 1 2 346.519 3.718 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247234645 1017560362 /nfs/dbraw/zinc/56/03/62/1017560362.db2.gz WMVHNEAQUSXFDD-CABCVRRESA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247234645 1017560372 /nfs/dbraw/zinc/56/03/72/1017560372.db2.gz WMVHNEAQUSXFDD-CABCVRRESA-N 1 2 347.402 3.678 20 0 EHADLO C[C@H]1CCN(C(=O)NCC2(C)CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000537410213 1032711330 /nfs/dbraw/zinc/71/13/30/1032711330.db2.gz CVQZVVLNXQFJHC-DLBZAZTESA-N 1 2 332.492 3.836 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655793797 1017617461 /nfs/dbraw/zinc/61/74/61/1017617461.db2.gz CVAMLJJGUWMUFX-NUEKZKHPSA-N 1 2 346.862 3.736 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(OC(C)(C)C)cc1 ZINC000655793773 1017623944 /nfs/dbraw/zinc/62/39/44/1017623944.db2.gz CJFSTNDYWUIWLQ-CJNGLKHVSA-N 1 2 344.459 3.684 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795473 1017628540 /nfs/dbraw/zinc/62/85/40/1017628540.db2.gz CHIWRRZYSMEECJ-CABCVRRESA-N 1 2 334.851 3.941 20 0 EHADLO Clc1ccc([C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CC2)cc1 ZINC000655797807 1017635308 /nfs/dbraw/zinc/63/53/08/1017635308.db2.gz QLXHXRHXYVDKHP-GDBMZVCRSA-N 1 2 332.835 3.551 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000377382233 1017725222 /nfs/dbraw/zinc/72/52/22/1017725222.db2.gz KPIPQLLHANDDOD-QGHHPUGFSA-N 1 2 331.778 3.739 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472755217 1017732355 /nfs/dbraw/zinc/73/23/55/1017732355.db2.gz SVWQRLLGWDOCGI-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000472755217 1017732359 /nfs/dbraw/zinc/73/23/59/1017732359.db2.gz SVWQRLLGWDOCGI-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000155470436 1017850810 /nfs/dbraw/zinc/85/08/10/1017850810.db2.gz RSSSTYRUNWJQQI-IEBWSBKVSA-N 1 2 325.456 3.542 20 0 EHADLO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccsc1C(=O)OC ZINC000892944250 1017853196 /nfs/dbraw/zinc/85/31/96/1017853196.db2.gz IEEOENXYCPCZLP-OAHLLOKOSA-N 1 2 331.437 3.711 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)no1 ZINC000340460389 1017919467 /nfs/dbraw/zinc/91/94/67/1017919467.db2.gz MDYAGCCCOQSVRW-VBQJREDUSA-N 1 2 345.418 3.525 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC2(CC2)c2ccccc21 ZINC000172481463 1032734914 /nfs/dbraw/zinc/73/49/14/1032734914.db2.gz ZWWVAIXCFVDQSX-UHFFFAOYSA-N 1 2 344.418 3.634 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000026195538 1018063780 /nfs/dbraw/zinc/06/37/80/1018063780.db2.gz PEFUHIQLJHUKKX-GQIGUUNPSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000026195538 1018063797 /nfs/dbraw/zinc/06/37/97/1018063797.db2.gz PEFUHIQLJHUKKX-GQIGUUNPSA-N 1 2 340.467 3.516 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708349 1018101318 /nfs/dbraw/zinc/10/13/18/1018101318.db2.gz GQVLTFXDRTYODI-HNAYVOBHSA-N 1 2 344.430 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708349 1018101325 /nfs/dbraw/zinc/10/13/25/1018101325.db2.gz GQVLTFXDRTYODI-HNAYVOBHSA-N 1 2 344.430 3.849 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340515327 1018199577 /nfs/dbraw/zinc/19/95/77/1018199577.db2.gz UJEKNCVCPZVUAS-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO Cc1cc(NC2CC(C)(C)N(O)C(C)(C)C2)cc(OC(F)F)[nH+]1 ZINC001167721132 1018244270 /nfs/dbraw/zinc/24/42/70/1018244270.db2.gz KEMQZWJDAVNJHM-UHFFFAOYSA-N 1 2 329.391 3.814 20 0 EHADLO Cc1cn2cc(NC(=O)Nc3cccc(OC(F)F)c3)ccc2[nH+]1 ZINC000606568836 1032752020 /nfs/dbraw/zinc/75/20/20/1032752020.db2.gz ATQWCFCIRMSGHX-UHFFFAOYSA-N 1 2 332.310 3.888 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000606569018 1032752187 /nfs/dbraw/zinc/75/21/87/1032752187.db2.gz QBGPZARHJZHOJW-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000377746569 1018309441 /nfs/dbraw/zinc/30/94/41/1018309441.db2.gz DSOXWHVBUQLJML-GOSISDBHSA-N 1 2 332.363 3.838 20 0 EHADLO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CCC1(F)F ZINC001143499884 1018327099 /nfs/dbraw/zinc/32/70/99/1018327099.db2.gz SPLDDYRMNGZAOR-SNVBAGLBSA-N 1 2 343.723 3.808 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CCC1(F)F ZINC001143499884 1018327108 /nfs/dbraw/zinc/32/71/08/1018327108.db2.gz SPLDDYRMNGZAOR-SNVBAGLBSA-N 1 2 343.723 3.808 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000377766043 1018335879 /nfs/dbraw/zinc/33/58/79/1018335879.db2.gz KAMJHELUIFLCTJ-OALUTQOASA-N 1 2 341.430 3.545 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000377766043 1018335888 /nfs/dbraw/zinc/33/58/88/1018335888.db2.gz KAMJHELUIFLCTJ-OALUTQOASA-N 1 2 341.430 3.545 20 0 EHADLO FC(F)(F)c1cccnc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377790059 1018376843 /nfs/dbraw/zinc/37/68/43/1018376843.db2.gz WLMNHCKVHNSNJR-HUUCEWRRSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1cccnc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377790059 1018376856 /nfs/dbraw/zinc/37/68/56/1018376856.db2.gz WLMNHCKVHNSNJR-HUUCEWRRSA-N 1 2 326.362 3.634 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043174419 1018409894 /nfs/dbraw/zinc/40/98/94/1018409894.db2.gz PTQSECJNODRMCO-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377818374 1018420339 /nfs/dbraw/zinc/42/03/39/1018420339.db2.gz GGQCENYLUNOXDV-QGZVFWFLSA-N 1 2 347.418 3.938 20 0 EHADLO C[C@H](OCCCNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000606581359 1032763421 /nfs/dbraw/zinc/76/34/21/1032763421.db2.gz ADGJIBCDQRQIAQ-HNNXBMFYSA-N 1 2 338.411 3.624 20 0 EHADLO O=C(NCCCn1ccc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000606581324 1032763457 /nfs/dbraw/zinc/76/34/57/1032763457.db2.gz ZAIHSNYRUIHJMB-UHFFFAOYSA-N 1 2 333.395 3.501 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606580501 1032763726 /nfs/dbraw/zinc/76/37/26/1032763726.db2.gz RJIKPNAESWCXFV-UHFFFAOYSA-N 1 2 338.386 3.717 20 0 EHADLO COc1ccc(C2(c3noc([C@@H](C)[NH+](C)C)n3)CCCC2)cc1OC ZINC000924028034 1018459022 /nfs/dbraw/zinc/45/90/22/1018459022.db2.gz JZTLHDSAYGMZAT-CYBMUJFWSA-N 1 2 345.443 3.570 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073081 1032766621 /nfs/dbraw/zinc/76/66/21/1032766621.db2.gz FJBCEIJTFKNGLN-NSHDSACASA-N 1 2 327.325 3.947 20 0 EHADLO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000377861908 1018489233 /nfs/dbraw/zinc/48/92/33/1018489233.db2.gz UNFWPZZBTOOHCN-UHFFFAOYSA-N 1 2 343.434 3.832 20 0 EHADLO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000377861908 1018489245 /nfs/dbraw/zinc/48/92/45/1018489245.db2.gz UNFWPZZBTOOHCN-UHFFFAOYSA-N 1 2 343.434 3.832 20 0 EHADLO FC1CC2(C1)C[NH+](Cc1nc3cc(Br)ccc3o1)C2 ZINC000639252287 1018524759 /nfs/dbraw/zinc/52/47/59/1018524759.db2.gz DCVIAMQJOPMSHP-UHFFFAOYSA-N 1 2 325.181 3.524 20 0 EHADLO CCCN(Cc1ccccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584213 1032771234 /nfs/dbraw/zinc/77/12/34/1032771234.db2.gz ITMVFBDDWZNQFM-UHFFFAOYSA-N 1 2 326.375 3.918 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000580081786 1018609415 /nfs/dbraw/zinc/60/94/15/1018609415.db2.gz ZLMMHWNQNAUHSV-SFHVURJKSA-N 1 2 343.377 3.980 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000580081786 1018609425 /nfs/dbraw/zinc/60/94/25/1018609425.db2.gz ZLMMHWNQNAUHSV-SFHVURJKSA-N 1 2 343.377 3.980 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000606642234 1032776481 /nfs/dbraw/zinc/77/64/81/1032776481.db2.gz RTROXSCXYADFLP-FUHWJXTLSA-N 1 2 344.503 3.661 20 0 EHADLO O=C(CCSc1ccccn1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000087158208 1018662658 /nfs/dbraw/zinc/66/26/58/1018662658.db2.gz IRCPYSMBMXZYOM-UHFFFAOYSA-N 1 2 342.399 3.527 20 0 EHADLO COC[C@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816597 1018681107 /nfs/dbraw/zinc/68/11/07/1018681107.db2.gz UDENEPYWQWETSI-OALUTQOASA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816597 1018681111 /nfs/dbraw/zinc/68/11/11/1018681111.db2.gz UDENEPYWQWETSI-OALUTQOASA-N 1 2 330.859 3.804 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000052105673 1018732116 /nfs/dbraw/zinc/73/21/16/1018732116.db2.gz NEGBMPLVWROJAM-HNNXBMFYSA-N 1 2 327.255 3.753 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000052105673 1018732129 /nfs/dbraw/zinc/73/21/29/1018732129.db2.gz NEGBMPLVWROJAM-HNNXBMFYSA-N 1 2 327.255 3.753 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(Br)cnn1C ZINC000683830790 1018753573 /nfs/dbraw/zinc/75/35/73/1018753573.db2.gz WUIWFNHATVWXFX-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(Br)cnn1C ZINC000683830790 1018753591 /nfs/dbraw/zinc/75/35/91/1018753591.db2.gz WUIWFNHATVWXFX-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419353998 1018785711 /nfs/dbraw/zinc/78/57/11/1018785711.db2.gz CPAJEFJXEDBAKN-UKRRQHHQSA-N 1 2 339.505 3.521 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419353998 1018785718 /nfs/dbraw/zinc/78/57/18/1018785718.db2.gz CPAJEFJXEDBAKN-UKRRQHHQSA-N 1 2 339.505 3.521 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052452946 1018815311 /nfs/dbraw/zinc/81/53/11/1018815311.db2.gz VNYHHQIZLLAWDO-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052452946 1018815327 /nfs/dbraw/zinc/81/53/27/1018815327.db2.gz VNYHHQIZLLAWDO-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(Oc3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000580283122 1018919179 /nfs/dbraw/zinc/91/91/79/1018919179.db2.gz KFRZZBFVSMHTNL-UHFFFAOYSA-N 1 2 330.815 3.580 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccsc1 ZINC000122572836 1018923634 /nfs/dbraw/zinc/92/36/34/1018923634.db2.gz OMDZWBNNZGJOJJ-OAHLLOKOSA-N 1 2 334.510 3.777 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000122572836 1018923645 /nfs/dbraw/zinc/92/36/45/1018923645.db2.gz OMDZWBNNZGJOJJ-OAHLLOKOSA-N 1 2 334.510 3.777 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000255360834 1018930360 /nfs/dbraw/zinc/93/03/60/1018930360.db2.gz PAYAPFQTYBGVCM-ZBFHGGJFSA-N 1 2 343.496 3.692 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000255360834 1018930376 /nfs/dbraw/zinc/93/03/76/1018930376.db2.gz PAYAPFQTYBGVCM-ZBFHGGJFSA-N 1 2 343.496 3.692 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CCCC34CCCCC4)[nH+]cn2)CC1 ZINC000664150561 1018984153 /nfs/dbraw/zinc/98/41/53/1018984153.db2.gz PSTFDGUFZVFFNV-MRXNPFEDSA-N 1 2 344.503 3.743 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CCCC34CCCCC4)nc[nH+]2)CC1 ZINC000664150561 1018984166 /nfs/dbraw/zinc/98/41/66/1018984166.db2.gz PSTFDGUFZVFFNV-MRXNPFEDSA-N 1 2 344.503 3.743 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCC34CCCCC4)[nH+]cn2)C1 ZINC000664150272 1018997051 /nfs/dbraw/zinc/99/70/51/1018997051.db2.gz KQSOEGBQOBXHRY-ULQDDVLXSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCC34CCCCC4)nc[nH+]2)C1 ZINC000664150272 1018997066 /nfs/dbraw/zinc/99/70/66/1018997066.db2.gz KQSOEGBQOBXHRY-ULQDDVLXSA-N 1 2 344.503 3.599 20 0 EHADLO COc1cccc2c1CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC000408463630 1019042631 /nfs/dbraw/zinc/04/26/31/1019042631.db2.gz GKQMDRDSCIMWHF-UHFFFAOYSA-N 1 2 339.439 3.648 20 0 EHADLO CCc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000340636929 1019042670 /nfs/dbraw/zinc/04/26/70/1019042670.db2.gz ALPGTJHBABDVRN-UHFFFAOYSA-N 1 2 333.435 3.766 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000124941003 1019084438 /nfs/dbraw/zinc/08/44/38/1019084438.db2.gz DVMKRJBWBHHEJT-LLVKDONJSA-N 1 2 337.803 3.921 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)ccc2OC)o1 ZINC000124941003 1019084454 /nfs/dbraw/zinc/08/44/54/1019084454.db2.gz DVMKRJBWBHHEJT-LLVKDONJSA-N 1 2 337.803 3.921 20 0 EHADLO CCc1ccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000022271996 1019244810 /nfs/dbraw/zinc/24/48/10/1019244810.db2.gz COFPQSUONQDWKE-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052910113 1019304960 /nfs/dbraw/zinc/30/49/60/1019304960.db2.gz YDJQYKPHYRGSPC-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(/C=C\c1nc2ccccc2o1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000255513598 1019341221 /nfs/dbraw/zinc/34/12/21/1019341221.db2.gz GAPQNHUUAPXNBY-KTKRTIGZSA-N 1 2 330.347 3.870 20 0 EHADLO C[C@@H](C1CC1)n1nccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255511690 1019341681 /nfs/dbraw/zinc/34/16/81/1019341681.db2.gz AWFUMRKKVOWRQX-NOKKCYSASA-N 1 2 347.422 3.692 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C\c2ccccc2)c1)[NH+]1CCOCC1 ZINC000729409316 1019349105 /nfs/dbraw/zinc/34/91/05/1019349105.db2.gz VNAUFSGHZKESHC-QXPKXGMISA-N 1 2 336.435 3.732 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000580447725 1019376986 /nfs/dbraw/zinc/37/69/86/1019376986.db2.gz QIBCLMGLRHNXCU-HUUCEWRRSA-N 1 2 325.456 3.560 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000580447725 1019377003 /nfs/dbraw/zinc/37/70/03/1019377003.db2.gz QIBCLMGLRHNXCU-HUUCEWRRSA-N 1 2 325.456 3.560 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1OC ZINC000513181777 1019400370 /nfs/dbraw/zinc/40/03/70/1019400370.db2.gz CVGHVHJJNOEMJZ-UHFFFAOYSA-N 1 2 338.879 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1OC ZINC000513181777 1019400377 /nfs/dbraw/zinc/40/03/77/1019400377.db2.gz CVGHVHJJNOEMJZ-UHFFFAOYSA-N 1 2 338.879 3.573 20 0 EHADLO COc1ccsc1[C@@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000471581222 1019437896 /nfs/dbraw/zinc/43/78/96/1019437896.db2.gz NCVXSHSKGZIQDX-HZSPNIEDSA-N 1 2 347.484 3.938 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1OC ZINC000513223122 1019439247 /nfs/dbraw/zinc/43/92/47/1019439247.db2.gz MAHZSUDCWKLGPX-UHFFFAOYSA-N 1 2 338.879 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1OC ZINC000513223122 1019439253 /nfs/dbraw/zinc/43/92/53/1019439253.db2.gz MAHZSUDCWKLGPX-UHFFFAOYSA-N 1 2 338.879 3.573 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2cc(C)cc(C)c2)c1C ZINC000050254172 1019473336 /nfs/dbraw/zinc/47/33/36/1019473336.db2.gz OIQFLLONKLASIX-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000513246792 1019475290 /nfs/dbraw/zinc/47/52/90/1019475290.db2.gz CUPQSJZNVJHILW-GFCCVEGCSA-N 1 2 333.382 3.773 20 0 EHADLO COc1cc2ccccc2cc1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449575175 1032833918 /nfs/dbraw/zinc/83/39/18/1032833918.db2.gz KVOPJKDJFXKUIV-QHCPKHFHSA-N 1 2 331.481 3.581 20 0 EHADLO COc1cc2ccccc2cc1C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449575175 1032833924 /nfs/dbraw/zinc/83/39/24/1032833924.db2.gz KVOPJKDJFXKUIV-QHCPKHFHSA-N 1 2 331.481 3.581 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000119143462 1019485576 /nfs/dbraw/zinc/48/55/76/1019485576.db2.gz BJSCFJNJFQFNKK-GOSISDBHSA-N 1 2 344.503 3.936 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513280500 1019498716 /nfs/dbraw/zinc/49/87/16/1019498716.db2.gz AAYVYBJQMMJYPD-CEXWTWQISA-N 1 2 343.515 3.971 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000476093075 1032840969 /nfs/dbraw/zinc/84/09/69/1032840969.db2.gz XESKIGKSLAQOTE-CHWSQXEVSA-N 1 2 335.398 3.708 20 0 EHADLO CCCOc1cc(C)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433777269 1019599309 /nfs/dbraw/zinc/59/93/09/1019599309.db2.gz JTJCNXFYRNWUFM-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO CCCOc1cc(C)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433777269 1019599323 /nfs/dbraw/zinc/59/93/23/1019599323.db2.gz JTJCNXFYRNWUFM-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO CCCc1nc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cs1 ZINC000513392793 1019603466 /nfs/dbraw/zinc/60/34/66/1019603466.db2.gz XWTFMRCHMUGRAN-UHFFFAOYSA-N 1 2 333.476 3.947 20 0 EHADLO CCCc1nc(C[N@H+]2CCCN(c3ccccc3F)CC2)cs1 ZINC000513392793 1019603480 /nfs/dbraw/zinc/60/34/80/1019603480.db2.gz XWTFMRCHMUGRAN-UHFFFAOYSA-N 1 2 333.476 3.947 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000433774779 1019608827 /nfs/dbraw/zinc/60/88/27/1019608827.db2.gz NLIOQZADKQVVGV-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000433774779 1019608832 /nfs/dbraw/zinc/60/88/32/1019608832.db2.gz NLIOQZADKQVVGV-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000340726835 1019634277 /nfs/dbraw/zinc/63/42/77/1019634277.db2.gz IIKKLTWQNPIKKU-LLVKDONJSA-N 1 2 333.461 3.575 20 0 EHADLO CCCN(C(=O)NCc1c[nH+]cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000291787213 1019723710 /nfs/dbraw/zinc/72/37/10/1019723710.db2.gz GMKFKSZNHBZZLV-CQSZACIVSA-N 1 2 340.427 3.849 20 0 EHADLO CO[C@@H]1CCC[C@H]([C@H](CO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000664202624 1019746839 /nfs/dbraw/zinc/74/68/39/1019746839.db2.gz WCWPPNRILPTTLD-UXLLHSPISA-N 1 2 335.492 3.701 20 0 EHADLO Cc1cnc([C@@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000255671350 1019815389 /nfs/dbraw/zinc/81/53/89/1019815389.db2.gz RGAWEYQKRMINCW-BMWLXYDHSA-N 1 2 338.436 3.528 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+]C2CC(c3cccc(F)c3)C2)n1 ZINC000557394203 1019824012 /nfs/dbraw/zinc/82/40/12/1019824012.db2.gz LTCGFYAUGFHDGO-UHFFFAOYSA-N 1 2 336.357 3.857 20 0 EHADLO Cc1ccc2oc(=Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000513625863 1019900779 /nfs/dbraw/zinc/90/07/79/1019900779.db2.gz TZHYOGKLXVFLHO-HNNXBMFYSA-N 1 2 337.423 3.695 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000580717738 1019905486 /nfs/dbraw/zinc/90/54/86/1019905486.db2.gz ICKJEZDAQXCWES-APWZRJJASA-N 1 2 341.455 3.987 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C(/C)c2ccc(F)cc2)c1C ZINC000050447887 1019931723 /nfs/dbraw/zinc/93/17/23/1019931723.db2.gz YEGMJAMNHMLYRA-XFXZXTDPSA-N 1 2 328.387 3.566 20 0 EHADLO CCCCn1c(SCc2conc2C)nnc1[C@H](CC)[NH+](C)C ZINC000580785121 1020016382 /nfs/dbraw/zinc/01/63/82/1020016382.db2.gz OUBGSLFWKHEKAB-AWEZNQCLSA-N 1 2 337.493 3.680 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043560 1020040408 /nfs/dbraw/zinc/04/04/08/1020040408.db2.gz BGUKDEJGWOQJGZ-YJBOKZPZSA-N 1 2 330.472 3.770 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C2CC2)o1 ZINC000048043560 1020040419 /nfs/dbraw/zinc/04/04/19/1020040419.db2.gz BGUKDEJGWOQJGZ-YJBOKZPZSA-N 1 2 330.472 3.770 20 0 EHADLO CC(C)n1nccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000280102581 1020085455 /nfs/dbraw/zinc/08/54/55/1020085455.db2.gz USUZTBVDLLXTDC-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO CC(C)n1nccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000280102581 1020085462 /nfs/dbraw/zinc/08/54/62/1020085462.db2.gz USUZTBVDLLXTDC-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@@H]4C)cc3)cc2[nH+]1 ZINC000048129942 1020097279 /nfs/dbraw/zinc/09/72/79/1020097279.db2.gz HMMRZHXJUKMOKB-MEDUHNTESA-N 1 2 348.406 3.718 20 0 EHADLO CCCCn1c(SCc2cccc(N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000580843284 1020133918 /nfs/dbraw/zinc/13/39/18/1020133918.db2.gz BKWCRJVUHMWZJQ-INIZCTEOSA-N 1 2 347.532 3.965 20 0 EHADLO Cc1nc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc(C)c1CC(C)C ZINC000345307234 1020144064 /nfs/dbraw/zinc/14/40/64/1020144064.db2.gz MJEXKZGJSQUGRS-KBXCAEBGSA-N 1 2 327.476 3.576 20 0 EHADLO CCOC(=O)c1cc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)on1 ZINC000602452210 1032880198 /nfs/dbraw/zinc/88/01/98/1032880198.db2.gz IVKRRNPOTAYIBV-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)on1 ZINC000602452210 1032880213 /nfs/dbraw/zinc/88/02/13/1032880213.db2.gz IVKRRNPOTAYIBV-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc(F)c2Cl)CCN1 ZINC000093170215 1032880783 /nfs/dbraw/zinc/88/07/83/1032880783.db2.gz DMWXKGVCDRKFHS-MRXNPFEDSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(F)c2Cl)CCN1 ZINC000093170215 1032880792 /nfs/dbraw/zinc/88/07/92/1032880792.db2.gz DMWXKGVCDRKFHS-MRXNPFEDSA-N 1 2 332.806 3.542 20 0 EHADLO Fc1cccc(Br)c1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000093193730 1032883712 /nfs/dbraw/zinc/88/37/12/1032883712.db2.gz GVCGYTRLVIVESU-LLVKDONJSA-N 1 2 338.224 3.691 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C/C3CCCC3)CC2)cc1 ZINC000843558194 1020211537 /nfs/dbraw/zinc/21/15/37/1020211537.db2.gz XOURZDHUVJBXHW-KPKJPENVSA-N 1 2 341.499 3.584 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC000345444409 1020257854 /nfs/dbraw/zinc/25/78/54/1020257854.db2.gz WTNVZBGBYLYFNQ-UHFFFAOYSA-N 1 2 328.460 3.594 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606934882 1032887501 /nfs/dbraw/zinc/88/75/01/1032887501.db2.gz CECSHWLIKDSXIE-RBSFLKMASA-N 1 2 334.891 3.876 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606934882 1032887516 /nfs/dbraw/zinc/88/75/16/1032887516.db2.gz CECSHWLIKDSXIE-RBSFLKMASA-N 1 2 334.891 3.876 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606935538 1032887572 /nfs/dbraw/zinc/88/75/72/1032887572.db2.gz VXCMNUHZKAWYHE-AWEZNQCLSA-N 1 2 334.891 3.878 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606935538 1032887588 /nfs/dbraw/zinc/88/75/88/1032887588.db2.gz VXCMNUHZKAWYHE-AWEZNQCLSA-N 1 2 334.891 3.878 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000280293990 1020263493 /nfs/dbraw/zinc/26/34/93/1020263493.db2.gz FHZNUGOPGWJIGL-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000280293990 1020263500 /nfs/dbraw/zinc/26/35/00/1020263500.db2.gz FHZNUGOPGWJIGL-LBPRGKRZSA-N 1 2 349.887 3.916 20 0 EHADLO O[C@@H]1CCOC2(CC[NH+](Cc3cc(Cl)sc3Cl)CC2)C1 ZINC000933055542 1020314230 /nfs/dbraw/zinc/31/42/30/1020314230.db2.gz NJNQLKTXHGNXIA-LLVKDONJSA-N 1 2 336.284 3.561 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000090165430 1020320501 /nfs/dbraw/zinc/32/05/01/1020320501.db2.gz GSEVINBQNIMWQS-UHFFFAOYSA-N 1 2 334.139 3.814 20 0 EHADLO Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000345550407 1020354198 /nfs/dbraw/zinc/35/41/98/1020354198.db2.gz RNAAEUZMOWCFQE-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO COc1cc(NC(=O)NCCCCNc2cccc[nH+]2)c(C)cc1C ZINC000280497226 1020416946 /nfs/dbraw/zinc/41/69/46/1020416946.db2.gz LZHSIOWCRGGSDF-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1CCC[C@H]1c1cccs1 ZINC000528825600 1032899502 /nfs/dbraw/zinc/89/95/02/1032899502.db2.gz DQTJQZVQGQSRDF-GUTXKFCHSA-N 1 2 347.459 3.685 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933088333 1020436542 /nfs/dbraw/zinc/43/65/42/1020436542.db2.gz KUBWHZIMSRTMOW-LBPRGKRZSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933088333 1020436549 /nfs/dbraw/zinc/43/65/49/1020436549.db2.gz KUBWHZIMSRTMOW-LBPRGKRZSA-N 1 2 345.306 3.544 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000780369369 1020513730 /nfs/dbraw/zinc/51/37/30/1020513730.db2.gz HGPXKUIOHPMDOT-WFASDCNBSA-N 1 2 347.377 3.666 20 0 EHADLO C[C@@H](Nc1cc(N[C@H](C)c2cncs2)[nH+]cn1)c1cncs1 ZINC000340879405 1020524545 /nfs/dbraw/zinc/52/45/45/1020524545.db2.gz UBLPIHQBIPSSLX-NXEZZACHSA-N 1 2 332.458 3.736 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cc(C)ccc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280656125 1020549723 /nfs/dbraw/zinc/54/97/23/1020549723.db2.gz KPJRSXZEVAZCJM-DNVCBOLYSA-N 1 2 349.471 3.707 20 0 EHADLO Cc1cccn2cc(Cc3noc(COC4CCC(C)CC4)n3)[nH+]c12 ZINC000581276314 1020624128 /nfs/dbraw/zinc/62/41/28/1020624128.db2.gz DFWNTJJNOFTITB-UHFFFAOYSA-N 1 2 340.427 3.712 20 0 EHADLO C[C@H]1SCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1c1ccccc1 ZINC000933135619 1020668227 /nfs/dbraw/zinc/66/82/27/1020668227.db2.gz XXBPYIAVNOGBPW-FZKQIMNGSA-N 1 2 337.448 3.882 20 0 EHADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000656472268 1020677843 /nfs/dbraw/zinc/67/78/43/1020677843.db2.gz UONJJQRINMKDSU-QGZVFWFLSA-N 1 2 339.826 3.565 20 0 EHADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000656472268 1020677852 /nfs/dbraw/zinc/67/78/52/1020677852.db2.gz UONJJQRINMKDSU-QGZVFWFLSA-N 1 2 339.826 3.565 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419486865 1020687720 /nfs/dbraw/zinc/68/77/20/1020687720.db2.gz FXYXQJYDEIWVHP-HOTGVXAUSA-N 1 2 328.460 3.691 20 0 EHADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000581371686 1020755870 /nfs/dbraw/zinc/75/58/70/1020755870.db2.gz IFSQYMUTYFBORY-OXQOHEQNSA-N 1 2 341.430 3.593 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncc(-c3ccccc3)o2)C2CC2)cn1 ZINC000528849805 1032925390 /nfs/dbraw/zinc/92/53/90/1032925390.db2.gz VTAGKXKESCKNCJ-HXUWFJFHSA-N 1 2 335.407 3.986 20 0 EHADLO Fc1ccccc1[C@]1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000581382129 1020772013 /nfs/dbraw/zinc/77/20/13/1020772013.db2.gz YHBWIWJMKFJBHH-IBGZPJMESA-N 1 2 344.409 3.681 20 0 EHADLO Fc1ccccc1[C@]1(F)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000581382129 1020772020 /nfs/dbraw/zinc/77/20/20/1020772020.db2.gz YHBWIWJMKFJBHH-IBGZPJMESA-N 1 2 344.409 3.681 20 0 EHADLO CC(C)(C)SCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069536589 1020786611 /nfs/dbraw/zinc/78/66/11/1020786611.db2.gz QERMMCCROWCVMK-UHFFFAOYSA-N 1 2 327.519 3.599 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000187403699 1020798166 /nfs/dbraw/zinc/79/81/66/1020798166.db2.gz JGPQHHHOGSXXFJ-PMACEKPBSA-N 1 2 340.467 3.585 20 0 EHADLO CCc1cnc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341013260 1020850228 /nfs/dbraw/zinc/85/02/28/1020850228.db2.gz DFVPZEXHLOMILH-UHFFFAOYSA-N 1 2 347.488 3.626 20 0 EHADLO Cc1cc2c(s1)N(c1cccc3ncnn31)c1ccccc1NC2=[NH2+] ZINC001167463382 1020919246 /nfs/dbraw/zinc/91/92/46/1020919246.db2.gz NPTYAQHZXDJBQG-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO Cn1c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2nc1C(C)(C)C ZINC000761022549 1032946593 /nfs/dbraw/zinc/94/65/93/1032946593.db2.gz ODNJHNASUOWVAF-UHFFFAOYSA-N 1 2 347.422 3.771 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)c1c[nH]c2ccccc12 ZINC000137613911 1032944276 /nfs/dbraw/zinc/94/42/76/1032944276.db2.gz SQKFRYRRIWZGFJ-UHFFFAOYSA-N 1 2 326.371 3.501 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)c1c[nH]c2ccccc12 ZINC000137613911 1032944296 /nfs/dbraw/zinc/94/42/96/1032944296.db2.gz SQKFRYRRIWZGFJ-UHFFFAOYSA-N 1 2 326.371 3.501 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCOc1ccccc1 ZINC000341143987 1021011114 /nfs/dbraw/zinc/01/11/14/1021011114.db2.gz JAMOSCDLBBYOEP-LJQANCHMSA-N 1 2 349.434 3.517 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCCc2occc2C1 ZINC000341150587 1021016215 /nfs/dbraw/zinc/01/62/15/1021016215.db2.gz VSHLQCYHONJTBS-UHFFFAOYSA-N 1 2 336.391 3.957 20 0 EHADLO COc1cccc2c(NCc3ccc([C@@H](C)O)c(C)n3)c(C)c[nH+]c12 ZINC000276330822 1021045047 /nfs/dbraw/zinc/04/50/47/1021045047.db2.gz REHZCXZWAIPAEB-CQSZACIVSA-N 1 2 337.423 3.921 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCCOc3c(F)cccc32)c(C)[nH+]1 ZINC001266762908 1021109839 /nfs/dbraw/zinc/10/98/39/1021109839.db2.gz OAXMJRKRTCQXTM-MRXNPFEDSA-N 1 2 328.387 3.790 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000581584555 1021113754 /nfs/dbraw/zinc/11/37/54/1021113754.db2.gz RLDYXTIUSHZYGW-NVXWUHKLSA-N 1 2 332.492 3.720 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cc2ccccc2s1)[C@H]1CCC[C@@H](OC)C1 ZINC000581610829 1021148456 /nfs/dbraw/zinc/14/84/56/1021148456.db2.gz DPPMATHXONFHEB-HDMKZQKVSA-N 1 2 347.480 3.738 20 0 EHADLO COc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1C ZINC000341240107 1021157214 /nfs/dbraw/zinc/15/72/14/1021157214.db2.gz MIZOVCITJCZCQF-UHFFFAOYSA-N 1 2 341.455 3.533 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000656681345 1021159083 /nfs/dbraw/zinc/15/90/83/1021159083.db2.gz DORJXHKLHNHGOS-IHRRRGAJSA-N 1 2 329.469 3.550 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccc(F)cc1Cl ZINC000656682543 1021163164 /nfs/dbraw/zinc/16/31/64/1021163164.db2.gz UFGFEYFCXOIFSP-RKDXNWHRSA-N 1 2 327.812 3.613 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556199 1021170239 /nfs/dbraw/zinc/17/02/39/1021170239.db2.gz BDRAFCBJDUIYMR-LBPRGKRZSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1F ZINC000341247077 1021177829 /nfs/dbraw/zinc/17/78/29/1021177829.db2.gz NSRSYXSVIBPNLC-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO O[C@@H](C[NH+](Cc1ccco1)Cc1ccco1)c1ccc(F)cc1F ZINC000051126531 1021224515 /nfs/dbraw/zinc/22/45/15/1021224515.db2.gz PJLMFKGXPMWFCM-SFHVURJKSA-N 1 2 333.334 3.887 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CCc2ccccc21)c1ccon1 ZINC000440501820 1021284241 /nfs/dbraw/zinc/28/42/41/1021284241.db2.gz GCODPULHJLJHEC-OAHLLOKOSA-N 1 2 347.418 3.789 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000342464779 1021290005 /nfs/dbraw/zinc/29/00/05/1021290005.db2.gz OUCKNQFQOAYIIY-HXUWFJFHSA-N 1 2 336.435 3.882 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000342464779 1021290016 /nfs/dbraw/zinc/29/00/16/1021290016.db2.gz OUCKNQFQOAYIIY-HXUWFJFHSA-N 1 2 336.435 3.882 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)cn1 ZINC000296241110 1021295551 /nfs/dbraw/zinc/29/55/51/1021295551.db2.gz XAFQZONMBPMTMH-SNVBAGLBSA-N 1 2 338.333 3.914 20 0 EHADLO Cc1noc(C2CCC(Nc3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000341285959 1021303766 /nfs/dbraw/zinc/30/37/66/1021303766.db2.gz PPQIVUSIFZHWMQ-UHFFFAOYSA-N 1 2 343.475 3.975 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(O)cc3F)no2)c1 ZINC000436871352 1021315057 /nfs/dbraw/zinc/31/50/57/1021315057.db2.gz HGYJTRRWXDKXMR-UHFFFAOYSA-N 1 2 336.326 3.742 20 0 EHADLO CC(C)C[C@H](c1nc(Cc2ccc3c(c2)CCC3)no1)n1cc[nH+]c1 ZINC000923975499 1021321993 /nfs/dbraw/zinc/32/19/93/1021321993.db2.gz CAHYMDLMYKKINT-GOSISDBHSA-N 1 2 336.439 3.981 20 0 EHADLO CC(C)CCc1nnc(NCc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000656776250 1021325253 /nfs/dbraw/zinc/32/52/53/1021325253.db2.gz KWHPBKBAPRHKFR-UHFFFAOYSA-N 1 2 333.486 3.986 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)c(C)c1OC ZINC000518604297 1021364116 /nfs/dbraw/zinc/36/41/16/1021364116.db2.gz VGZNALFRYJKVRB-CQSZACIVSA-N 1 2 329.444 3.829 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc3nc(C)sc3c2)CC[S@@]1=O ZINC000426365248 1021390185 /nfs/dbraw/zinc/39/01/85/1021390185.db2.gz KRPBZRONHLUOHI-QFIPXVFZSA-N 1 2 336.526 3.728 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[S@@]1=O ZINC000426365248 1021390203 /nfs/dbraw/zinc/39/02/03/1021390203.db2.gz KRPBZRONHLUOHI-QFIPXVFZSA-N 1 2 336.526 3.728 20 0 EHADLO CCOc1cccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000348678595 1021402285 /nfs/dbraw/zinc/40/22/85/1021402285.db2.gz XEECJXGSBWBLNY-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CCOc1cccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000348678595 1021402289 /nfs/dbraw/zinc/40/22/89/1021402289.db2.gz XEECJXGSBWBLNY-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000439427359 1021423196 /nfs/dbraw/zinc/42/31/96/1021423196.db2.gz DAYAGTPEDKTWFI-QZTJIDSGSA-N 1 2 333.497 3.757 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000439427359 1021423201 /nfs/dbraw/zinc/42/32/01/1021423201.db2.gz DAYAGTPEDKTWFI-QZTJIDSGSA-N 1 2 333.497 3.757 20 0 EHADLO CCC[C@@H]([NH2+]Cc1cc(C(=O)OCC)no1)c1ccc(F)cc1F ZINC000602569461 1032978268 /nfs/dbraw/zinc/97/82/68/1032978268.db2.gz RATGCMBZPYQUJP-OAHLLOKOSA-N 1 2 338.354 3.761 20 0 EHADLO COC(=O)[C@@H](CC1CCCCC1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000426389732 1021448742 /nfs/dbraw/zinc/44/87/42/1021448742.db2.gz GMXDRAYXSJSWGC-QGZVFWFLSA-N 1 2 347.484 3.535 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1csc(C(F)(F)F)c1 ZINC000624596652 1021495450 /nfs/dbraw/zinc/49/54/50/1021495450.db2.gz FOVDSZMBJPREKL-UHFFFAOYSA-N 1 2 340.370 3.513 20 0 EHADLO CCN(CC)c1ccc(-c2nnc(SCc3c[nH+]cn3C)o2)cc1 ZINC000439540555 1021527517 /nfs/dbraw/zinc/52/75/17/1021527517.db2.gz ISGNVTRHXSCCRE-UHFFFAOYSA-N 1 2 343.456 3.609 20 0 EHADLO CC[C@H](C)n1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1 ZINC000439547524 1021534558 /nfs/dbraw/zinc/53/45/58/1021534558.db2.gz WVPUOIOTZNQSEE-ZDUSSCGKSA-N 1 2 327.457 3.942 20 0 EHADLO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1[nH+]cnc2c1cnn2C ZINC000509608472 1021550970 /nfs/dbraw/zinc/55/09/70/1021550970.db2.gz LTFNIQCSQWCSLG-SECBINFHSA-N 1 2 348.237 3.794 20 0 EHADLO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437104431 1021557475 /nfs/dbraw/zinc/55/74/75/1021557475.db2.gz OTWJGKPDZFNOBS-IBGZPJMESA-N 1 2 336.414 3.551 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccccc1 ZINC000437108977 1021563606 /nfs/dbraw/zinc/56/36/06/1021563606.db2.gz PSQGVZIFDPTVAT-FQEVSTJZSA-N 1 2 338.430 3.952 20 0 EHADLO C[C@H](Nc1[nH+]cccc1CC(=O)OC(C)(C)C)c1ccc(F)cn1 ZINC001167479812 1021585835 /nfs/dbraw/zinc/58/58/35/1021585835.db2.gz VFJCJQMKEVSSCT-LBPRGKRZSA-N 1 2 331.391 3.673 20 0 EHADLO O=C(CCOc1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000340575063 1021644404 /nfs/dbraw/zinc/64/44/04/1021644404.db2.gz CJGCORRJPOGJQY-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncnn1C)c1cc2cc(Br)ccc2o1 ZINC000276533014 1021645641 /nfs/dbraw/zinc/64/56/41/1021645641.db2.gz CWOLTSYGZVCGNC-NXEZZACHSA-N 1 2 349.232 3.736 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000933396258 1021652219 /nfs/dbraw/zinc/65/22/19/1021652219.db2.gz SDAUTNNYPNMLNW-ZDUSSCGKSA-N 1 2 347.846 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000933396258 1021652228 /nfs/dbraw/zinc/65/22/28/1021652228.db2.gz SDAUTNNYPNMLNW-ZDUSSCGKSA-N 1 2 347.846 3.516 20 0 EHADLO COc1cccc2c(NCc3ccncc3OCC(F)F)cc[nH+]c12 ZINC000440669397 1021700281 /nfs/dbraw/zinc/70/02/81/1021700281.db2.gz SLYDRGCGFVSDIZ-UHFFFAOYSA-N 1 2 345.349 3.894 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(C(F)(F)F)CCCCC2)c[nH+]1 ZINC000933423544 1021714437 /nfs/dbraw/zinc/71/44/37/1021714437.db2.gz SQNHBRWGWRPRAV-UHFFFAOYSA-N 1 2 329.366 3.763 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCC)o1 ZINC000891481227 1021729485 /nfs/dbraw/zinc/72/94/85/1021729485.db2.gz FHKMKIRFQSTKLG-UHFFFAOYSA-N 1 2 346.427 3.538 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCC)o1 ZINC000891481227 1021729502 /nfs/dbraw/zinc/72/95/02/1021729502.db2.gz FHKMKIRFQSTKLG-UHFFFAOYSA-N 1 2 346.427 3.538 20 0 EHADLO C[C@H](CC(=O)N1CC=C(c2ccccc2Cl)CC1)n1cc[nH+]c1 ZINC000516773915 1021731647 /nfs/dbraw/zinc/73/16/47/1021731647.db2.gz CNXAYBFENLPNAD-CQSZACIVSA-N 1 2 329.831 3.804 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1csc([C@H](C)OC)n1)C2 ZINC000289443714 1021737255 /nfs/dbraw/zinc/73/72/55/1021737255.db2.gz DYROJDVUBNPXBL-ZDUSSCGKSA-N 1 2 344.480 3.907 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1csc([C@H](C)OC)n1)C2 ZINC000289443714 1021737268 /nfs/dbraw/zinc/73/72/68/1021737268.db2.gz DYROJDVUBNPXBL-ZDUSSCGKSA-N 1 2 344.480 3.907 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000506707147 1021794630 /nfs/dbraw/zinc/79/46/30/1021794630.db2.gz JOQHQWPIOTYOKR-UHFFFAOYSA-N 1 2 334.847 3.947 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000506707147 1021794643 /nfs/dbraw/zinc/79/46/43/1021794643.db2.gz JOQHQWPIOTYOKR-UHFFFAOYSA-N 1 2 334.847 3.947 20 0 EHADLO Cc1c(-c2cc(CSCCc3[nH+]cc(C)cc3C)on2)cnn1C ZINC000581824172 1021809593 /nfs/dbraw/zinc/80/95/93/1021809593.db2.gz AQUQNJJLHCLVJD-UHFFFAOYSA-N 1 2 342.468 3.871 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000891523970 1021836672 /nfs/dbraw/zinc/83/66/72/1021836672.db2.gz FSCCJTIKPYBOIK-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000891523970 1021836689 /nfs/dbraw/zinc/83/66/89/1021836689.db2.gz FSCCJTIKPYBOIK-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO Cc1c(Cl)cc(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000519988545 1021847132 /nfs/dbraw/zinc/84/71/32/1021847132.db2.gz YLELPFGIEPQRGM-UHFFFAOYSA-N 1 2 339.226 3.930 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000437458637 1021853899 /nfs/dbraw/zinc/85/38/99/1021853899.db2.gz GJQAXVXRZWZWTN-IYARVYRRSA-N 1 2 331.419 3.857 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@H](CC(F)(F)F)O1 ZINC000664634025 1021860778 /nfs/dbraw/zinc/86/07/78/1021860778.db2.gz BXKWUALXLORUJY-GWCFXTLKSA-N 1 2 328.309 3.920 20 0 EHADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000516930221 1021866852 /nfs/dbraw/zinc/86/68/52/1021866852.db2.gz HPDZHYLQEXNFEQ-LBPRGKRZSA-N 1 2 325.334 3.906 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504743 1021894865 /nfs/dbraw/zinc/89/48/65/1021894865.db2.gz VVGWCQWESSBEKM-AUUYWEPGSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)o1 ZINC000933504743 1021894873 /nfs/dbraw/zinc/89/48/73/1021894873.db2.gz VVGWCQWESSBEKM-AUUYWEPGSA-N 1 2 349.475 3.506 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440954067 1021901109 /nfs/dbraw/zinc/90/11/09/1021901109.db2.gz WBXMZNPZDSXMDF-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440954067 1021901115 /nfs/dbraw/zinc/90/11/15/1021901115.db2.gz WBXMZNPZDSXMDF-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1ncc(C)c(OC)c1C)C2 ZINC000441057814 1021947576 /nfs/dbraw/zinc/94/75/76/1021947576.db2.gz HBGPSRWAFOLQCE-UHFFFAOYSA-N 1 2 326.440 3.664 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1ncc(C)c(OC)c1C)C2 ZINC000441057814 1021947591 /nfs/dbraw/zinc/94/75/91/1021947591.db2.gz HBGPSRWAFOLQCE-UHFFFAOYSA-N 1 2 326.440 3.664 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000298892574 1021948873 /nfs/dbraw/zinc/94/88/73/1021948873.db2.gz YFGQBEVLNWWLJC-NEPJUHHUSA-N 1 2 346.377 3.845 20 0 EHADLO C[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(Cl)nc1 ZINC000891563696 1021956234 /nfs/dbraw/zinc/95/62/34/1021956234.db2.gz BDTWGAWRNUFTIW-UHFFFAOYSA-N 1 2 335.782 3.928 20 0 EHADLO C[N@@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(Cl)nc1 ZINC000891563696 1021956241 /nfs/dbraw/zinc/95/62/41/1021956241.db2.gz BDTWGAWRNUFTIW-UHFFFAOYSA-N 1 2 335.782 3.928 20 0 EHADLO Cc1cnc(CC[N@@H+](C)[C@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000276608360 1022002190 /nfs/dbraw/zinc/00/21/90/1022002190.db2.gz SDUDPNCFASTZBG-CYBMUJFWSA-N 1 2 328.441 3.737 20 0 EHADLO Cc1cnc(CC[N@H+](C)[C@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000276608360 1022002201 /nfs/dbraw/zinc/00/22/01/1022002201.db2.gz SDUDPNCFASTZBG-CYBMUJFWSA-N 1 2 328.441 3.737 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1OCC1CC1 ZINC000506780068 1022005504 /nfs/dbraw/zinc/00/55/04/1022005504.db2.gz XIGIEGKWVUZEKN-UHFFFAOYSA-N 1 2 342.414 3.685 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1OCC1CC1 ZINC000506780068 1022005510 /nfs/dbraw/zinc/00/55/10/1022005510.db2.gz XIGIEGKWVUZEKN-UHFFFAOYSA-N 1 2 342.414 3.685 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000441178558 1022035775 /nfs/dbraw/zinc/03/57/75/1022035775.db2.gz SXCYEKAWIZSKBN-LJQANCHMSA-N 1 2 331.412 3.521 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000441178558 1022035792 /nfs/dbraw/zinc/03/57/92/1022035792.db2.gz SXCYEKAWIZSKBN-LJQANCHMSA-N 1 2 331.412 3.521 20 0 EHADLO COc1ccc2oc(C[N@H+](C)CC(=O)Nc3cccc(F)c3)cc2c1 ZINC000506804479 1022039314 /nfs/dbraw/zinc/03/93/14/1022039314.db2.gz JRXISGZDTXKAJH-UHFFFAOYSA-N 1 2 342.370 3.651 20 0 EHADLO COc1ccc2oc(C[N@@H+](C)CC(=O)Nc3cccc(F)c3)cc2c1 ZINC000506804479 1022039332 /nfs/dbraw/zinc/03/93/32/1022039332.db2.gz JRXISGZDTXKAJH-UHFFFAOYSA-N 1 2 342.370 3.651 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000341506984 1022045931 /nfs/dbraw/zinc/04/59/31/1022045931.db2.gz OBRDSKQCCZMNMF-WDEREUQCSA-N 1 2 343.349 3.985 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC000520224468 1022053493 /nfs/dbraw/zinc/05/34/93/1022053493.db2.gz HSCLWVCOBFYYOW-IUODEOHRSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC000520224468 1022053504 /nfs/dbraw/zinc/05/35/04/1022053504.db2.gz HSCLWVCOBFYYOW-IUODEOHRSA-N 1 2 336.501 3.820 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCOCC1 ZINC000517133683 1022057867 /nfs/dbraw/zinc/05/78/67/1022057867.db2.gz KOYWRCHTIVROPG-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)o1 ZINC000073604704 1022057942 /nfs/dbraw/zinc/05/79/42/1022057942.db2.gz LBHXOLRILITTPH-IBGZPJMESA-N 1 2 328.456 3.918 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)n1 ZINC000925023865 1022080697 /nfs/dbraw/zinc/08/06/97/1022080697.db2.gz PUTPHIUSABYOGO-LSDHHAIUSA-N 1 2 345.491 3.666 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000506114662 1022083833 /nfs/dbraw/zinc/08/38/33/1022083833.db2.gz UBAAKNQQNBXHNQ-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000290865804 1022115285 /nfs/dbraw/zinc/11/52/85/1022115285.db2.gz KVPJWPRYXMOJQZ-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000290865804 1022115293 /nfs/dbraw/zinc/11/52/93/1022115293.db2.gz KVPJWPRYXMOJQZ-GFCCVEGCSA-N 1 2 345.244 3.685 20 0 EHADLO O=C(c1c[nH]cc1-c1ccccc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000426650614 1022146118 /nfs/dbraw/zinc/14/61/18/1022146118.db2.gz FCUYWSXZJMSTBQ-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO O=C(c1c[nH]cc1-c1ccccc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000426650614 1022146125 /nfs/dbraw/zinc/14/61/25/1022146125.db2.gz FCUYWSXZJMSTBQ-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000073645055 1022151988 /nfs/dbraw/zinc/15/19/88/1022151988.db2.gz BRIXXERBGJPCGK-UWJYYQICSA-N 1 2 348.446 3.972 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349543899 1022170438 /nfs/dbraw/zinc/17/04/38/1022170438.db2.gz JFKCGSQJCQHJNZ-CYBMUJFWSA-N 1 2 336.526 3.978 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349543899 1022170448 /nfs/dbraw/zinc/17/04/48/1022170448.db2.gz JFKCGSQJCQHJNZ-CYBMUJFWSA-N 1 2 336.526 3.978 20 0 EHADLO Fc1cc(Br)cc(OCCSCCn2cc[nH+]c2)c1 ZINC000187531737 1022180696 /nfs/dbraw/zinc/18/06/96/1022180696.db2.gz YCZNXAQAFVMLNA-UHFFFAOYSA-N 1 2 345.237 3.597 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c4occc43)sc2C1 ZINC000891640580 1022191306 /nfs/dbraw/zinc/19/13/06/1022191306.db2.gz ZWEBFWCOMUAPKD-UHFFFAOYSA-N 1 2 347.827 3.783 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c4occc43)sc2C1 ZINC000891640580 1022191315 /nfs/dbraw/zinc/19/13/15/1022191315.db2.gz ZWEBFWCOMUAPKD-UHFFFAOYSA-N 1 2 347.827 3.783 20 0 EHADLO CCCc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000141688085 1033035596 /nfs/dbraw/zinc/03/55/96/1033035596.db2.gz YTCJQZKNOJVSGM-UHFFFAOYSA-N 1 2 333.435 3.814 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172937033 1033035673 /nfs/dbraw/zinc/03/56/73/1033035673.db2.gz XMNVWYMKQFGKBX-RHSMWYFYSA-N 1 2 330.501 3.826 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172937033 1033035684 /nfs/dbraw/zinc/03/56/84/1033035684.db2.gz XMNVWYMKQFGKBX-RHSMWYFYSA-N 1 2 330.501 3.826 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000506159069 1022240300 /nfs/dbraw/zinc/24/03/00/1022240300.db2.gz DXCBMDCHPLDSQL-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000506159069 1022240312 /nfs/dbraw/zinc/24/03/12/1022240312.db2.gz DXCBMDCHPLDSQL-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437901750 1022244451 /nfs/dbraw/zinc/24/44/51/1022244451.db2.gz MLJUQRJTVVXPJK-INIZCTEOSA-N 1 2 339.483 3.974 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437901750 1022244459 /nfs/dbraw/zinc/24/44/59/1022244459.db2.gz MLJUQRJTVVXPJK-INIZCTEOSA-N 1 2 339.483 3.974 20 0 EHADLO CC(C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159155 1022247160 /nfs/dbraw/zinc/24/71/60/1022247160.db2.gz FJONYTOKPQHEIO-QGZVFWFLSA-N 1 2 348.878 3.666 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C(C)C)c1 ZINC000046007447 1022251036 /nfs/dbraw/zinc/25/10/36/1022251036.db2.gz ZIVDOJPHUNUTOW-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2c3cc(Cl)ccc3oc2=O)n1 ZINC000178236500 1022259653 /nfs/dbraw/zinc/25/96/53/1022259653.db2.gz SNBCSMUSKOFILE-OAHLLOKOSA-N 1 2 343.814 3.746 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2c3cc(Cl)ccc3oc2=O)n1 ZINC000178236500 1022259664 /nfs/dbraw/zinc/25/96/64/1022259664.db2.gz SNBCSMUSKOFILE-OAHLLOKOSA-N 1 2 343.814 3.746 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919041 1033041869 /nfs/dbraw/zinc/04/18/69/1033041869.db2.gz ZNIFAGUWNKIRAK-GJZGRUSLSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000172919041 1033041879 /nfs/dbraw/zinc/04/18/79/1033041879.db2.gz ZNIFAGUWNKIRAK-GJZGRUSLSA-N 1 2 329.419 3.517 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000607157829 1033042802 /nfs/dbraw/zinc/04/28/02/1033042802.db2.gz WYONTHRHAVJRII-CVEARBPZSA-N 1 2 335.492 3.972 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000607157829 1033042811 /nfs/dbraw/zinc/04/28/11/1033042811.db2.gz WYONTHRHAVJRII-CVEARBPZSA-N 1 2 335.492 3.972 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000090528313 1022353766 /nfs/dbraw/zinc/35/37/66/1022353766.db2.gz WACFOBVEMPNCEG-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000090528313 1022353779 /nfs/dbraw/zinc/35/37/79/1022353779.db2.gz WACFOBVEMPNCEG-IBGZPJMESA-N 1 2 347.842 3.931 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000143604527 1033048636 /nfs/dbraw/zinc/04/86/36/1033048636.db2.gz DNWRLGZWJJNHLE-OAHLLOKOSA-N 1 2 336.505 3.781 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000172938223 1033049623 /nfs/dbraw/zinc/04/96/23/1033049623.db2.gz JKADJTQBZJNTNY-UHFFFAOYSA-N 1 2 330.457 3.881 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172938223 1033049634 /nfs/dbraw/zinc/04/96/34/1033049634.db2.gz JKADJTQBZJNTNY-UHFFFAOYSA-N 1 2 330.457 3.881 20 0 EHADLO CCN(CC(C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458885379 1022398195 /nfs/dbraw/zinc/39/81/95/1022398195.db2.gz OYZJTKHAGUERNH-UHFFFAOYSA-N 1 2 334.851 3.713 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)c3ccc(F)cc3F)ccc2[nH+]1 ZINC000438128177 1022407843 /nfs/dbraw/zinc/40/78/43/1022407843.db2.gz FZRKOQLBBVWKCS-LLVKDONJSA-N 1 2 344.365 3.846 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000895037004 1022411370 /nfs/dbraw/zinc/41/13/70/1022411370.db2.gz YMDCNMXHERYIFU-UHFFFAOYSA-N 1 2 348.491 3.509 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438149614 1022433035 /nfs/dbraw/zinc/43/30/35/1022433035.db2.gz CLCJOWXJTUBNEC-AUSJPIAWSA-N 1 2 347.418 3.555 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000341591055 1022439688 /nfs/dbraw/zinc/43/96/88/1022439688.db2.gz WOQKLOCESNZCJQ-UHFFFAOYSA-N 1 2 337.448 3.786 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124113710 1022445540 /nfs/dbraw/zinc/44/55/40/1022445540.db2.gz GUSOHPUGNGOKGA-HIFRSBDPSA-N 1 2 346.500 3.570 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc2c(c1)OCCO2 ZINC000341595649 1022480965 /nfs/dbraw/zinc/48/09/65/1022480965.db2.gz VEWFIBUCJNQGTP-CQSZACIVSA-N 1 2 330.428 3.984 20 0 EHADLO Fc1ccc(Br)c(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000225992799 1022504825 /nfs/dbraw/zinc/50/48/25/1022504825.db2.gz CILUGFLVIGAVHQ-MRXNPFEDSA-N 1 2 336.204 3.949 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCCC2(CC2)C1 ZINC000891740906 1022505572 /nfs/dbraw/zinc/50/55/72/1022505572.db2.gz ZVCOVANIKKNEPO-KRWDZBQOSA-N 1 2 342.487 3.594 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827906 1022510419 /nfs/dbraw/zinc/51/04/19/1022510419.db2.gz DKJXLSMXALHTNV-GUXCAODWSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827906 1022510430 /nfs/dbraw/zinc/51/04/30/1022510430.db2.gz DKJXLSMXALHTNV-GUXCAODWSA-N 1 2 349.478 3.831 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H](C)[S@@]1=O ZINC000602661099 1033059899 /nfs/dbraw/zinc/05/98/99/1033059899.db2.gz IXSXDHJVNZOCGV-SIMDFCGZSA-N 1 2 333.419 3.523 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H](C)[S@@]1=O ZINC000602661099 1033059909 /nfs/dbraw/zinc/05/99/09/1033059909.db2.gz IXSXDHJVNZOCGV-SIMDFCGZSA-N 1 2 333.419 3.523 20 0 EHADLO CCOC(=O)c1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438303213 1022545078 /nfs/dbraw/zinc/54/50/78/1022545078.db2.gz WTZSQFNBHDTIJT-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2cccs2)c1C ZINC000051334081 1022545483 /nfs/dbraw/zinc/54/54/83/1022545483.db2.gz JQWPCORKOVPYPW-ZDUSSCGKSA-N 1 2 333.457 3.671 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc(C2CC2)n1 ZINC000517734502 1022606301 /nfs/dbraw/zinc/60/63/01/1022606301.db2.gz VVONHEZGGWGNEX-INIZCTEOSA-N 1 2 332.407 3.843 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000430707640 1022610844 /nfs/dbraw/zinc/61/08/44/1022610844.db2.gz YHVQTGSKFDNINQ-RYGJVYDSSA-N 1 2 331.419 3.538 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCCC[C@H]1c1nc3ccccc3n1C)CCC2 ZINC000891770410 1022611522 /nfs/dbraw/zinc/61/15/22/1022611522.db2.gz JJXFQTSIMFKRQJ-IBGZPJMESA-N 1 2 349.482 3.523 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCCC[C@H]1c1nc3ccccc3n1C)CCC2 ZINC000891770410 1022611529 /nfs/dbraw/zinc/61/15/29/1022611529.db2.gz JJXFQTSIMFKRQJ-IBGZPJMESA-N 1 2 349.482 3.523 20 0 EHADLO CCn1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1 ZINC000891770718 1022613504 /nfs/dbraw/zinc/61/35/04/1022613504.db2.gz MSPMLFGRZNPCAY-TXEJJXNPSA-N 1 2 343.315 3.774 20 0 EHADLO CCn1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1 ZINC000891770718 1022613506 /nfs/dbraw/zinc/61/35/06/1022613506.db2.gz MSPMLFGRZNPCAY-TXEJJXNPSA-N 1 2 343.315 3.774 20 0 EHADLO CC(C)C(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002823 1022620009 /nfs/dbraw/zinc/62/00/09/1022620009.db2.gz LMFBXHPKDXYVGO-RDJZCZTQSA-N 1 2 343.471 3.965 20 0 EHADLO CC(C)C(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002823 1022620015 /nfs/dbraw/zinc/62/00/15/1022620015.db2.gz LMFBXHPKDXYVGO-RDJZCZTQSA-N 1 2 343.471 3.965 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665004959 1022638357 /nfs/dbraw/zinc/63/83/57/1022638357.db2.gz BLTHGGDAUXBZQP-LGKSBMSXSA-N 1 2 325.412 3.621 20 0 EHADLO C/C=C/C=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665004959 1022638358 /nfs/dbraw/zinc/63/83/58/1022638358.db2.gz BLTHGGDAUXBZQP-LGKSBMSXSA-N 1 2 325.412 3.621 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000664834818 1022644121 /nfs/dbraw/zinc/64/41/21/1022644121.db2.gz VRPGXWVSYUMYED-RBUKOAKNSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000664834818 1022644129 /nfs/dbraw/zinc/64/41/29/1022644129.db2.gz VRPGXWVSYUMYED-RBUKOAKNSA-N 1 2 335.451 3.660 20 0 EHADLO COc1cccc(C[NH+]2CCN([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000517783286 1022653296 /nfs/dbraw/zinc/65/32/96/1022653296.db2.gz ZRNWTXOJJJGDAO-QGZVFWFLSA-N 1 2 340.467 3.583 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CC3CCCC3)n2)O1 ZINC000665007190 1022665522 /nfs/dbraw/zinc/66/55/22/1022665522.db2.gz IYVRQTAMJARKHA-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CC3CCCC3)n2)O1 ZINC000665007190 1022665530 /nfs/dbraw/zinc/66/55/30/1022665530.db2.gz IYVRQTAMJARKHA-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430769605 1022673515 /nfs/dbraw/zinc/67/35/15/1022673515.db2.gz WPJOSXXZTPVDIR-OAHLLOKOSA-N 1 2 338.224 3.957 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430769605 1022673526 /nfs/dbraw/zinc/67/35/26/1022673526.db2.gz WPJOSXXZTPVDIR-OAHLLOKOSA-N 1 2 338.224 3.957 20 0 EHADLO C/C(=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665007744 1022674421 /nfs/dbraw/zinc/67/44/21/1022674421.db2.gz LJJGYODPZPVACN-WZEYAMKMSA-N 1 2 339.439 3.845 20 0 EHADLO C/C(=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665007744 1022674434 /nfs/dbraw/zinc/67/44/34/1022674434.db2.gz LJJGYODPZPVACN-WZEYAMKMSA-N 1 2 339.439 3.845 20 0 EHADLO CC(C)O[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000293007214 1022690804 /nfs/dbraw/zinc/69/08/04/1022690804.db2.gz GRTMNRNCLISNBR-IBGZPJMESA-N 1 2 341.455 3.556 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838502 1022710339 /nfs/dbraw/zinc/71/03/39/1022710339.db2.gz SLIORJHXPSBNJF-OXJNMPFZSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838502 1022710353 /nfs/dbraw/zinc/71/03/53/1022710353.db2.gz SLIORJHXPSBNJF-OXJNMPFZSA-N 1 2 337.467 3.684 20 0 EHADLO COCC[N@H+](Cc1c(F)cncc1Br)[C@H]1CC[C@H](C)C1 ZINC000668055419 1022722676 /nfs/dbraw/zinc/72/26/76/1022722676.db2.gz AQVJQTKQDNNNLS-RYUDHWBXSA-N 1 2 345.256 3.620 20 0 EHADLO COCC[N@@H+](Cc1c(F)cncc1Br)[C@H]1CC[C@H](C)C1 ZINC000668055419 1022722689 /nfs/dbraw/zinc/72/26/89/1022722689.db2.gz AQVJQTKQDNNNLS-RYUDHWBXSA-N 1 2 345.256 3.620 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000506253244 1022725251 /nfs/dbraw/zinc/72/52/51/1022725251.db2.gz HNMRXYNYKJUDPX-VQTJNVASSA-N 1 2 346.515 3.637 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000506253244 1022725259 /nfs/dbraw/zinc/72/52/59/1022725259.db2.gz HNMRXYNYKJUDPX-VQTJNVASSA-N 1 2 346.515 3.637 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[C@H]1C ZINC000517899897 1022806743 /nfs/dbraw/zinc/80/67/43/1022806743.db2.gz XHZGNTCIAFMUFW-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO Cc1cccc(C)c1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510647278 1022820749 /nfs/dbraw/zinc/82/07/49/1022820749.db2.gz SFTASTZNZPHMLM-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO Cc1cccc(C)c1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510647278 1022820766 /nfs/dbraw/zinc/82/07/66/1022820766.db2.gz SFTASTZNZPHMLM-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO CC(C)(CC(=O)NCCNc1cccc[nH+]1)Cc1ccc(Cl)cc1 ZINC000438584575 1022841076 /nfs/dbraw/zinc/84/10/76/1022841076.db2.gz RTLLNAZZMRVEII-UHFFFAOYSA-N 1 2 345.874 3.922 20 0 EHADLO CN(C)c1ccc(NCc2cn(C)nc2-c2cc3ccccc3o2)[nH+]c1 ZINC000150902320 1033084997 /nfs/dbraw/zinc/08/49/97/1033084997.db2.gz RHKOCNVRGMGNAR-UHFFFAOYSA-N 1 2 347.422 3.906 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894772504 1022867268 /nfs/dbraw/zinc/86/72/68/1022867268.db2.gz MGDPJLHBHBURRU-CYBMUJFWSA-N 1 2 333.455 3.729 20 0 EHADLO Cc1ccncc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536335463 1022897027 /nfs/dbraw/zinc/89/70/27/1022897027.db2.gz FLSNGBSCWGRHSI-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341674439 1022950082 /nfs/dbraw/zinc/95/00/82/1022950082.db2.gz IOJBUMSRTVTKQL-HNNXBMFYSA-N 1 2 342.870 3.745 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341674439 1022950094 /nfs/dbraw/zinc/95/00/94/1022950094.db2.gz IOJBUMSRTVTKQL-HNNXBMFYSA-N 1 2 342.870 3.745 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000029810144 1022957720 /nfs/dbraw/zinc/95/77/20/1022957720.db2.gz VRUUHYUQWNIXNP-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000029810144 1022957728 /nfs/dbraw/zinc/95/77/28/1022957728.db2.gz VRUUHYUQWNIXNP-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000438755671 1022970000 /nfs/dbraw/zinc/97/00/00/1022970000.db2.gz GVUIDYYIINGDNM-UHFFFAOYSA-N 1 2 338.455 3.561 20 0 EHADLO COC(=O)c1cc(CNc2cc[nH+]c3c(OC)cccc23)oc1C ZINC000189167035 1022983501 /nfs/dbraw/zinc/98/35/01/1022983501.db2.gz NXIGVRMQELGZPV-UHFFFAOYSA-N 1 2 326.352 3.544 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000506362079 1023010093 /nfs/dbraw/zinc/01/00/93/1023010093.db2.gz JSHWHTSKZNDDGY-RRFJBIMHSA-N 1 2 338.442 3.728 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000506362079 1023010113 /nfs/dbraw/zinc/01/01/13/1023010113.db2.gz JSHWHTSKZNDDGY-RRFJBIMHSA-N 1 2 338.442 3.728 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000506371243 1023014398 /nfs/dbraw/zinc/01/43/98/1023014398.db2.gz URSVJBQMSWPYNJ-MGPUTAFESA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000506371243 1023014406 /nfs/dbraw/zinc/01/44/06/1023014406.db2.gz URSVJBQMSWPYNJ-MGPUTAFESA-N 1 2 339.435 3.592 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000458991399 1023015166 /nfs/dbraw/zinc/01/51/66/1023015166.db2.gz VCBWIQUJDNUONR-IAGOWNOFSA-N 1 2 332.492 3.519 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc2cc(Br)ccc2o1 ZINC000213113348 1023062432 /nfs/dbraw/zinc/06/24/32/1023062432.db2.gz BQWXIACYDYJRJT-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000518194810 1023116695 /nfs/dbraw/zinc/11/66/95/1023116695.db2.gz SQJIZPRHQKKGOR-GUYCJALGSA-N 1 2 331.847 3.612 20 0 EHADLO CCOc1cccc(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)n1 ZINC000507221958 1023187695 /nfs/dbraw/zinc/18/76/95/1023187695.db2.gz QBWGKVYLRBWHJJ-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO CCOc1cccc(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)n1 ZINC000507221958 1023187702 /nfs/dbraw/zinc/18/77/02/1023187702.db2.gz QBWGKVYLRBWHJJ-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000190469647 1023203456 /nfs/dbraw/zinc/20/34/56/1023203456.db2.gz FERBUGBSDFSFTI-DLBZAZTESA-N 1 2 334.508 3.836 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)cc2c1OCCO2 ZINC000507253921 1023210329 /nfs/dbraw/zinc/21/03/29/1023210329.db2.gz SSAZWNFBQQZDKJ-GFCCVEGCSA-N 1 2 349.377 3.938 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)cc2c1OCCO2 ZINC000507253921 1023210335 /nfs/dbraw/zinc/21/03/35/1023210335.db2.gz SSAZWNFBQQZDKJ-GFCCVEGCSA-N 1 2 349.377 3.938 20 0 EHADLO Cc1c(Cl)cc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000341745349 1023234709 /nfs/dbraw/zinc/23/47/09/1023234709.db2.gz YETWAUHNCFXXLA-VIFPVBQESA-N 1 2 327.215 3.709 20 0 EHADLO CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439063057 1023238115 /nfs/dbraw/zinc/23/81/15/1023238115.db2.gz NUCIDASGLFFNOM-UHFFFAOYSA-N 1 2 344.802 3.530 20 0 EHADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(OC(F)F)c1 ZINC000439051849 1023243543 /nfs/dbraw/zinc/24/35/43/1023243543.db2.gz WQAKEFKOZAIKJF-LLVKDONJSA-N 1 2 346.337 3.818 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)no2)cc1 ZINC000341751934 1023250264 /nfs/dbraw/zinc/25/02/64/1023250264.db2.gz RUPRSUCIGZMCEF-CYBMUJFWSA-N 1 2 335.473 3.782 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000507338361 1023256394 /nfs/dbraw/zinc/25/63/94/1023256394.db2.gz FNEPTBJLNHNGEZ-FQEVSTJZSA-N 1 2 345.414 3.807 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000507338361 1023256398 /nfs/dbraw/zinc/25/63/98/1023256398.db2.gz FNEPTBJLNHNGEZ-FQEVSTJZSA-N 1 2 345.414 3.807 20 0 EHADLO Cc1cscc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000426275346 1023263591 /nfs/dbraw/zinc/26/35/91/1023263591.db2.gz GFISTZZPIHWDPR-AWEZNQCLSA-N 1 2 349.525 3.706 20 0 EHADLO C[C@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551458 1023266137 /nfs/dbraw/zinc/26/61/37/1023266137.db2.gz HRDMERBJEONJNT-XHSDSOJGSA-N 1 2 326.444 3.621 20 0 EHADLO Cc1nc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)[nH]c1C ZINC000665089813 1023284834 /nfs/dbraw/zinc/28/48/34/1023284834.db2.gz MQRWAOSCMUGLPC-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1nc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)[nH]c1C ZINC000665089813 1023284837 /nfs/dbraw/zinc/28/48/37/1023284837.db2.gz MQRWAOSCMUGLPC-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000602737277 1033126830 /nfs/dbraw/zinc/12/68/30/1033126830.db2.gz DJMCOJAQUJIHBH-ZWKOTPCHSA-N 1 2 335.407 3.531 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000602759087 1033131002 /nfs/dbraw/zinc/13/10/02/1033131002.db2.gz KCOCKYXGXWGPJY-ZDUSSCGKSA-N 1 2 330.428 3.952 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000602759087 1033131010 /nfs/dbraw/zinc/13/10/10/1033131010.db2.gz KCOCKYXGXWGPJY-ZDUSSCGKSA-N 1 2 330.428 3.952 20 0 EHADLO CC(C)[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1 ZINC000341832510 1023425391 /nfs/dbraw/zinc/42/53/91/1023425391.db2.gz BGFBXASSTAQLDX-UHFFFAOYSA-N 1 2 335.444 3.640 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1 ZINC000341832510 1023425395 /nfs/dbraw/zinc/42/53/95/1023425395.db2.gz BGFBXASSTAQLDX-UHFFFAOYSA-N 1 2 335.444 3.640 20 0 EHADLO Fc1c(Cl)cccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016379 1023444095 /nfs/dbraw/zinc/44/40/95/1023444095.db2.gz CUUAVOZCYWNKIY-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1c(Cl)cccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016379 1023444100 /nfs/dbraw/zinc/44/41/00/1023444100.db2.gz CUUAVOZCYWNKIY-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582005990 1023508293 /nfs/dbraw/zinc/50/82/93/1023508293.db2.gz UOMKHQVEILEBLI-OALUTQOASA-N 1 2 339.483 3.624 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000761043056 1033145878 /nfs/dbraw/zinc/14/58/78/1033145878.db2.gz SWOJMEXLAJSUAT-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000761043056 1033145887 /nfs/dbraw/zinc/14/58/87/1033145887.db2.gz SWOJMEXLAJSUAT-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO CSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000449757477 1033146478 /nfs/dbraw/zinc/14/64/78/1033146478.db2.gz RYTPVNVRAHBEAW-UHFFFAOYSA-N 1 2 341.480 3.724 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458123042 1023585182 /nfs/dbraw/zinc/58/51/82/1023585182.db2.gz JCZUQDCPVJHBPM-HXUWFJFHSA-N 1 2 337.467 3.887 20 0 EHADLO COc1ccc2sc(C(=O)Nc3cc(C)[nH+]cc3C)c(C)c2c1 ZINC000535748409 1023604661 /nfs/dbraw/zinc/60/46/61/1023604661.db2.gz GFJJGDKLYRDZOK-UHFFFAOYSA-N 1 2 326.421 3.904 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)c[nH+]1 ZINC000535772798 1023623856 /nfs/dbraw/zinc/62/38/56/1023623856.db2.gz RRJWCUFLSIFQKN-CQSZACIVSA-N 1 2 331.416 3.618 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785522 1023633125 /nfs/dbraw/zinc/63/31/25/1023633125.db2.gz FPLLHANEOPZWDZ-AWEZNQCLSA-N 1 2 330.863 3.923 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785522 1023633128 /nfs/dbraw/zinc/63/31/28/1023633128.db2.gz FPLLHANEOPZWDZ-AWEZNQCLSA-N 1 2 330.863 3.923 20 0 EHADLO Cn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000341905072 1023677504 /nfs/dbraw/zinc/67/75/04/1023677504.db2.gz ARYPEAXJWNVFFB-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000247586989 1023693309 /nfs/dbraw/zinc/69/33/09/1023693309.db2.gz MMIWQDYMBMLWDR-ZLFYYGENSA-N 1 2 347.405 3.849 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000247586989 1023693313 /nfs/dbraw/zinc/69/33/13/1023693313.db2.gz MMIWQDYMBMLWDR-ZLFYYGENSA-N 1 2 347.405 3.849 20 0 EHADLO OCC1(C[N@H+](Cc2nc(-c3ccccc3)no2)Cc2ccccc2)CC1 ZINC000341968113 1023724523 /nfs/dbraw/zinc/72/45/23/1023724523.db2.gz KVMFUHRSGYJEKY-UHFFFAOYSA-N 1 2 349.434 3.511 20 0 EHADLO OCC1(C[N@@H+](Cc2nc(-c3ccccc3)no2)Cc2ccccc2)CC1 ZINC000341968113 1023724528 /nfs/dbraw/zinc/72/45/28/1023724528.db2.gz KVMFUHRSGYJEKY-UHFFFAOYSA-N 1 2 349.434 3.511 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000342056527 1023807673 /nfs/dbraw/zinc/80/76/73/1023807673.db2.gz NPAUNHKJSJJUKP-LRYGQEGESA-N 1 2 340.471 3.545 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC(=O)c4ccccc43)c2C1 ZINC000277136995 1023815410 /nfs/dbraw/zinc/81/54/10/1023815410.db2.gz JOLROVXRCBMYGK-KRWDZBQOSA-N 1 2 334.419 3.721 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC(=O)c4ccccc43)c2C1 ZINC000277136995 1023815415 /nfs/dbraw/zinc/81/54/15/1023815415.db2.gz JOLROVXRCBMYGK-KRWDZBQOSA-N 1 2 334.419 3.721 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000342068713 1023819838 /nfs/dbraw/zinc/81/98/38/1023819838.db2.gz YATXQDXGVUOYQA-UHFFFAOYSA-N 1 2 341.436 3.598 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967592 1023913760 /nfs/dbraw/zinc/91/37/60/1023913760.db2.gz JYZYOLUDXZCQAY-PXNSSMCTSA-N 1 2 349.434 3.657 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967592 1023913766 /nfs/dbraw/zinc/91/37/66/1023913766.db2.gz JYZYOLUDXZCQAY-PXNSSMCTSA-N 1 2 349.434 3.657 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000138408690 1033172435 /nfs/dbraw/zinc/17/24/35/1033172435.db2.gz NXWBGDLMIVMQEM-LJQANCHMSA-N 1 2 325.456 3.972 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(C(=O)OC)co1)c1ccc(Cl)s1 ZINC000602801505 1033175979 /nfs/dbraw/zinc/17/59/79/1033175979.db2.gz FBULDNVXBDQFGK-BDAKNGLRSA-N 1 2 328.821 3.978 20 0 EHADLO CC(C)(C)OC(=O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000192297508 1023980999 /nfs/dbraw/zinc/98/09/99/1023980999.db2.gz MMXPMGXFZBERHK-UHFFFAOYSA-N 1 2 349.818 3.586 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749809407 1023985960 /nfs/dbraw/zinc/98/59/60/1023985960.db2.gz IMSTYKDZYZSQGB-CHWSQXEVSA-N 1 2 340.414 3.967 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749809407 1023985971 /nfs/dbraw/zinc/98/59/71/1023985971.db2.gz IMSTYKDZYZSQGB-CHWSQXEVSA-N 1 2 340.414 3.967 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cl)c1F ZINC000046469842 1033178252 /nfs/dbraw/zinc/17/82/52/1033178252.db2.gz VCODXLMFIHDKTO-CYBMUJFWSA-N 1 2 338.814 3.912 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459109240 1024000991 /nfs/dbraw/zinc/00/09/91/1024000991.db2.gz DUKBFVXYOFMXST-SJORKVTESA-N 1 2 346.519 3.967 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000648067548 1024020867 /nfs/dbraw/zinc/02/08/67/1024020867.db2.gz LVOGFBVBIIJKQC-VLIAUNLRSA-N 1 2 345.462 3.646 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000648067548 1024020884 /nfs/dbraw/zinc/02/08/84/1024020884.db2.gz LVOGFBVBIIJKQC-VLIAUNLRSA-N 1 2 345.462 3.646 20 0 EHADLO Cc1noc(C[C@@H]2CCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C2)n1 ZINC000896847148 1024034095 /nfs/dbraw/zinc/03/40/95/1024034095.db2.gz CAROMYNHEIBUCI-HNNXBMFYSA-N 1 2 343.475 3.874 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280348617 1024041458 /nfs/dbraw/zinc/04/14/58/1024041458.db2.gz SSDLZSQNGYVSIR-CQSZACIVSA-N 1 2 347.283 3.687 20 0 EHADLO CCCCOC1CC[NH+](Cc2nc([C@@H](C)OCC(C)C)no2)CC1 ZINC000342106490 1024047091 /nfs/dbraw/zinc/04/70/91/1024047091.db2.gz BCZYGCJRBOOVJQ-OAHLLOKOSA-N 1 2 339.480 3.584 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2c(C)cc(C)nc2C)nc1C ZINC000602811047 1033186422 /nfs/dbraw/zinc/18/64/22/1033186422.db2.gz WNOLWNJFOXOVIZ-AWEZNQCLSA-N 1 2 347.484 3.799 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1F ZINC001141743082 1024142013 /nfs/dbraw/zinc/14/20/13/1024142013.db2.gz CNCADDJWBQMOET-GXFFZTMASA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1F ZINC001141743082 1024142022 /nfs/dbraw/zinc/14/20/22/1024142022.db2.gz CNCADDJWBQMOET-GXFFZTMASA-N 1 2 346.215 3.728 20 0 EHADLO CC(C)(C)Oc1ccc(C[NH2+]Cc2c[nH]cn2)c(C(F)(F)F)c1 ZINC000894298261 1024167158 /nfs/dbraw/zinc/16/71/58/1024167158.db2.gz IPVOVHBMGZUULL-UHFFFAOYSA-N 1 2 327.350 3.896 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000151586036 1024189177 /nfs/dbraw/zinc/18/91/77/1024189177.db2.gz SPMCGTZTPIXXAM-AWEZNQCLSA-N 1 2 344.484 3.629 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346033974 1024204133 /nfs/dbraw/zinc/20/41/33/1024204133.db2.gz RFQDLCHSPMIOTP-UONOGXRCSA-N 1 2 330.378 3.781 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346033974 1024204143 /nfs/dbraw/zinc/20/41/43/1024204143.db2.gz RFQDLCHSPMIOTP-UONOGXRCSA-N 1 2 330.378 3.781 20 0 EHADLO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000342144965 1024234297 /nfs/dbraw/zinc/23/42/97/1024234297.db2.gz BDFVTPAWYWELKO-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329890069 1024236738 /nfs/dbraw/zinc/23/67/38/1024236738.db2.gz FNXZTOZIRKYUBR-BFQNTYOBSA-N 1 2 347.846 3.950 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329890069 1024236753 /nfs/dbraw/zinc/23/67/53/1024236753.db2.gz FNXZTOZIRKYUBR-BFQNTYOBSA-N 1 2 347.846 3.950 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)CC2CCCCC2)CC[NH2+]1 ZINC000505452876 1024237250 /nfs/dbraw/zinc/23/72/50/1024237250.db2.gz GIDQBAJFPWRYSN-LPHOPBHVSA-N 1 2 344.499 3.775 20 0 EHADLO CN(Cc1ccccc1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000514222630 1024252942 /nfs/dbraw/zinc/25/29/42/1024252942.db2.gz LWRZHYHCNPKINW-JYRVWZFOSA-N 1 2 349.478 3.569 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505468189 1024291429 /nfs/dbraw/zinc/29/14/29/1024291429.db2.gz JCVCJTSDTMABFQ-OXJNMPFZSA-N 1 2 340.442 3.801 20 0 EHADLO CSc1ccc(F)cc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000342177853 1024324632 /nfs/dbraw/zinc/32/46/32/1024324632.db2.gz XHIIRNKEZMVVMM-UHFFFAOYSA-N 1 2 342.443 3.727 20 0 EHADLO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000548540019 1024345104 /nfs/dbraw/zinc/34/51/04/1024345104.db2.gz PGSZGYIAZGGQIZ-IRXDYDNUSA-N 1 2 327.428 3.735 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)CS1 ZINC000277254437 1024347415 /nfs/dbraw/zinc/34/74/15/1024347415.db2.gz OGXVHKNFSPBXKJ-JQFCIGGWSA-N 1 2 333.476 3.768 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CC2CCCCCC2)CC[NH2+]1 ZINC000505505010 1024400792 /nfs/dbraw/zinc/40/07/92/1024400792.db2.gz HHLNNJHKKWFILG-SFHVURJKSA-N 1 2 330.472 3.529 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000434735981 1024400977 /nfs/dbraw/zinc/40/09/77/1024400977.db2.gz DXPDUSNNCZTXEU-OAQYLSRUSA-N 1 2 332.451 3.739 20 0 EHADLO Cc1ccc([C@]2(C)CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)cc1 ZINC000434735981 1024400982 /nfs/dbraw/zinc/40/09/82/1024400982.db2.gz DXPDUSNNCZTXEU-OAQYLSRUSA-N 1 2 332.451 3.739 20 0 EHADLO CCC1(CC)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425179118 1024408450 /nfs/dbraw/zinc/40/84/50/1024408450.db2.gz ACWQZQQWQMDNFX-QGZVFWFLSA-N 1 2 325.456 3.970 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000505507586 1024410638 /nfs/dbraw/zinc/41/06/38/1024410638.db2.gz RQTUVNUPHLFTQH-ACJLOTCBSA-N 1 2 346.833 3.756 20 0 EHADLO Clc1ccccc1OCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000443687171 1024422319 /nfs/dbraw/zinc/42/23/19/1024422319.db2.gz RFGPPYSYZJEPFZ-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO Clc1ccccc1OCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000443687171 1024422327 /nfs/dbraw/zinc/42/23/27/1024422327.db2.gz RFGPPYSYZJEPFZ-UHFFFAOYSA-N 1 2 332.835 3.611 20 0 EHADLO O=C(c1cc2ccccc2s1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000434783262 1024423720 /nfs/dbraw/zinc/42/37/20/1024423720.db2.gz IUUFMFYYGPRGHB-INIZCTEOSA-N 1 2 326.465 3.768 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184480443 1024430702 /nfs/dbraw/zinc/43/07/02/1024430702.db2.gz VATZVFVQMDOQEE-RDBSUJKOSA-N 1 2 337.533 3.786 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522400838 1024442689 /nfs/dbraw/zinc/44/26/89/1024442689.db2.gz JRMXOPZLVZBFHU-GOSISDBHSA-N 1 2 326.444 3.592 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC[C@@H]1CC1CCC1 ZINC000664450528 1024450092 /nfs/dbraw/zinc/45/00/92/1024450092.db2.gz ORDPGQFCODYVFL-QGZVFWFLSA-N 1 2 326.444 3.589 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](c1cccnc1)C1CC1 ZINC000425224278 1024467652 /nfs/dbraw/zinc/46/76/52/1024467652.db2.gz KVUCXFGZQFBVDV-AZUAARDMSA-N 1 2 346.434 3.594 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cs1 ZINC000895404698 1024478346 /nfs/dbraw/zinc/47/83/46/1024478346.db2.gz KUSCBODTAAAGHJ-DGCLKSJQSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cs1 ZINC000895404698 1024478353 /nfs/dbraw/zinc/47/83/53/1024478353.db2.gz KUSCBODTAAAGHJ-DGCLKSJQSA-N 1 2 334.407 3.943 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2cccc(F)c2)C2CC2)c[nH+]1 ZINC000459132012 1024481556 /nfs/dbraw/zinc/48/15/56/1024481556.db2.gz XECJTJNJCHUBBX-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO CCc1ccc([C@H](NC(=O)NCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000514453301 1024482132 /nfs/dbraw/zinc/48/21/32/1024482132.db2.gz HPKUSNTZBJRVCK-LJQANCHMSA-N 1 2 340.471 3.752 20 0 EHADLO C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C[C@@H]1CCCO1 ZINC000052101889 1024483018 /nfs/dbraw/zinc/48/30/18/1024483018.db2.gz OHVHAOYHYOWBSB-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C[C@@H]1CCCO1 ZINC000052101889 1024483025 /nfs/dbraw/zinc/48/30/25/1024483025.db2.gz OHVHAOYHYOWBSB-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO COc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C)cc1C ZINC000434901272 1024492576 /nfs/dbraw/zinc/49/25/76/1024492576.db2.gz UFQCNUGLASTUMM-UHFFFAOYSA-N 1 2 342.443 3.509 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277301927 1024512150 /nfs/dbraw/zinc/51/21/50/1024512150.db2.gz BDLRSHIACCOEFE-GYCJOSAFSA-N 1 2 343.492 3.563 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277301927 1024512161 /nfs/dbraw/zinc/51/21/61/1024512161.db2.gz BDLRSHIACCOEFE-GYCJOSAFSA-N 1 2 343.492 3.563 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187581 1024512920 /nfs/dbraw/zinc/51/29/20/1024512920.db2.gz YKCDEGSOMOWSKM-LSDHHAIUSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187581 1024512924 /nfs/dbraw/zinc/51/29/24/1024512924.db2.gz YKCDEGSOMOWSKM-LSDHHAIUSA-N 1 2 345.270 3.557 20 0 EHADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000346195248 1024516340 /nfs/dbraw/zinc/51/63/40/1024516340.db2.gz WIHMAAUESSNXCQ-OAHLLOKOSA-N 1 2 328.378 3.711 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@H]12 ZINC001141807681 1024516150 /nfs/dbraw/zinc/51/61/50/1024516150.db2.gz YNMPTHBKQUMZJO-SKDRFNHKSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@H]12 ZINC001141807681 1024516157 /nfs/dbraw/zinc/51/61/57/1024516157.db2.gz YNMPTHBKQUMZJO-SKDRFNHKSA-N 1 2 344.199 3.528 20 0 EHADLO CCN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000346195248 1024516349 /nfs/dbraw/zinc/51/63/49/1024516349.db2.gz WIHMAAUESSNXCQ-OAHLLOKOSA-N 1 2 328.378 3.711 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H]2CCc3c2cccc3Cl)CC[S@]1=O ZINC000346195268 1024516562 /nfs/dbraw/zinc/51/65/62/1024516562.db2.gz WJBOSPXJVISQTG-HRAATJIYSA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[S@]1=O ZINC000346195268 1024516566 /nfs/dbraw/zinc/51/65/66/1024516566.db2.gz WJBOSPXJVISQTG-HRAATJIYSA-N 1 2 325.905 3.950 20 0 EHADLO CCN(c1ccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1)C(C)C ZINC000895461844 1024528753 /nfs/dbraw/zinc/52/87/53/1024528753.db2.gz CPNKAYQICVUGSE-UHFFFAOYSA-N 1 2 328.460 3.800 20 0 EHADLO C[N@H+](Cc1ccns1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000895454178 1024531233 /nfs/dbraw/zinc/53/12/33/1024531233.db2.gz VYEXJQYAYWHCKX-UHFFFAOYSA-N 1 2 334.338 3.855 20 0 EHADLO C[N@@H+](Cc1ccns1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000895454178 1024531235 /nfs/dbraw/zinc/53/12/35/1024531235.db2.gz VYEXJQYAYWHCKX-UHFFFAOYSA-N 1 2 334.338 3.855 20 0 EHADLO CC(C)Oc1ccc(CC[C@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000052472949 1024532517 /nfs/dbraw/zinc/53/25/17/1024532517.db2.gz MZTQHJBHWRLMSV-AWEZNQCLSA-N 1 2 339.443 3.584 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895494503 1024560125 /nfs/dbraw/zinc/56/01/25/1024560125.db2.gz ZRIXDBIIZRWHSS-UHFFFAOYSA-N 1 2 339.439 3.894 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366621390 1024586777 /nfs/dbraw/zinc/58/67/77/1024586777.db2.gz WMRBFXNTHIXALN-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO CCCCOC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000346281586 1024600008 /nfs/dbraw/zinc/60/00/08/1024600008.db2.gz PVPKBFSZEGNFRU-HNNXBMFYSA-N 1 2 335.496 3.520 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(c4ccsc4)CC3)[nH+]c12 ZINC000548601491 1024633398 /nfs/dbraw/zinc/63/33/98/1024633398.db2.gz KEIVWQSRTKXTDB-UHFFFAOYSA-N 1 2 339.464 3.653 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671065 1024647853 /nfs/dbraw/zinc/64/78/53/1024647853.db2.gz ZONXJUWILMWMOH-AEFFLSMTSA-N 1 2 349.544 3.824 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccco1 ZINC000346357369 1024651886 /nfs/dbraw/zinc/65/18/86/1024651886.db2.gz VLAXSZAZLOULHB-UHFFFAOYSA-N 1 2 330.453 3.629 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccco1 ZINC000346357369 1024651897 /nfs/dbraw/zinc/65/18/97/1024651897.db2.gz VLAXSZAZLOULHB-UHFFFAOYSA-N 1 2 330.453 3.629 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3cc(N(C)C)ccc3c2)c[nH+]1 ZINC000897897578 1033226572 /nfs/dbraw/zinc/22/65/72/1033226572.db2.gz ZKXXAQFWTAGTLN-UHFFFAOYSA-N 1 2 336.439 3.785 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1CCCCC1(C)C ZINC000505621482 1024663400 /nfs/dbraw/zinc/66/34/00/1024663400.db2.gz MZMAHZRMOHCMSP-INIZCTEOSA-N 1 2 345.487 3.772 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000511033766 1024677012 /nfs/dbraw/zinc/67/70/12/1024677012.db2.gz VOZLVMFXHYPYQK-MRXNPFEDSA-N 1 2 329.488 3.905 20 0 EHADLO Clc1ccccc1OC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000157006255 1024697261 /nfs/dbraw/zinc/69/72/61/1024697261.db2.gz AAYFGOJRDDGKRH-ZDUSSCGKSA-N 1 2 347.846 3.891 20 0 EHADLO Clc1ccccc1OC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000157006255 1024697265 /nfs/dbraw/zinc/69/72/65/1024697265.db2.gz AAYFGOJRDDGKRH-ZDUSSCGKSA-N 1 2 347.846 3.891 20 0 EHADLO COCc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000346438263 1024732992 /nfs/dbraw/zinc/73/29/92/1024732992.db2.gz HLZUYAPWQISCRL-FQEVSTJZSA-N 1 2 337.398 3.641 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000505639500 1024735896 /nfs/dbraw/zinc/73/58/96/1024735896.db2.gz QOWUHNIPOXPWJN-KSSFIOAISA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000505639500 1024735908 /nfs/dbraw/zinc/73/59/08/1024735908.db2.gz QOWUHNIPOXPWJN-KSSFIOAISA-N 1 2 342.439 3.872 20 0 EHADLO C[C@@H](CCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000151822454 1024748944 /nfs/dbraw/zinc/74/89/44/1024748944.db2.gz LIDRFFAUKOHGSC-ROUUACIJSA-N 1 2 339.483 3.785 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C2CC2)cn1 ZINC000639358468 1024756259 /nfs/dbraw/zinc/75/62/59/1024756259.db2.gz YEYYJJZJAKNOBI-QZTJIDSGSA-N 1 2 341.459 3.571 20 0 EHADLO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000346471863 1024758533 /nfs/dbraw/zinc/75/85/33/1024758533.db2.gz DGHABUGUYWYKEU-HXUWFJFHSA-N 1 2 336.414 3.561 20 0 EHADLO C[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)(F)F ZINC000425327765 1024772141 /nfs/dbraw/zinc/77/21/41/1024772141.db2.gz NLRNWLVXXRNCIX-JSGCOSHPSA-N 1 2 339.361 3.636 20 0 EHADLO COc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474336431 1024776876 /nfs/dbraw/zinc/77/68/76/1024776876.db2.gz ZOVIRYDMVVTPEF-LJQANCHMSA-N 1 2 342.414 3.828 20 0 EHADLO COc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474336431 1024776893 /nfs/dbraw/zinc/77/68/93/1024776893.db2.gz ZOVIRYDMVVTPEF-LJQANCHMSA-N 1 2 342.414 3.828 20 0 EHADLO Cc1cc2occ(CC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2cc1C(C)C ZINC000042534805 1024781198 /nfs/dbraw/zinc/78/11/98/1024781198.db2.gz XMWXRLAOKUWHSS-HNNXBMFYSA-N 1 2 339.439 3.809 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(Br)cc2F)[nH+]1 ZINC000343800844 1024807421 /nfs/dbraw/zinc/80/74/21/1024807421.db2.gz CAUPCRXFCIEYAB-MRVPVSSYSA-N 1 2 349.207 3.763 20 0 EHADLO CC(C)n1cc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)nn1 ZINC000425345745 1024815356 /nfs/dbraw/zinc/81/53/56/1024815356.db2.gz FBIYYNGWHNNPLP-UHFFFAOYSA-N 1 2 345.516 3.574 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000425351213 1024818198 /nfs/dbraw/zinc/81/81/98/1024818198.db2.gz GHIUHGDVQYVAJY-LJQANCHMSA-N 1 2 333.476 3.552 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000425351213 1024818218 /nfs/dbraw/zinc/81/82/18/1024818218.db2.gz GHIUHGDVQYVAJY-LJQANCHMSA-N 1 2 333.476 3.552 20 0 EHADLO Cc1ccoc1C[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000427843996 1024819587 /nfs/dbraw/zinc/81/95/87/1024819587.db2.gz NGCJYFNODCATDK-HXUWFJFHSA-N 1 2 334.419 3.735 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000761048985 1033236189 /nfs/dbraw/zinc/23/61/89/1033236189.db2.gz ZSJJMYKQLSEKKC-MRVPVSSYSA-N 1 2 341.160 3.816 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000761048985 1033236198 /nfs/dbraw/zinc/23/61/98/1033236198.db2.gz ZSJJMYKQLSEKKC-MRVPVSSYSA-N 1 2 341.160 3.816 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3sccc3[C@@H]1C)C2 ZINC000474376978 1024851943 /nfs/dbraw/zinc/85/19/43/1024851943.db2.gz NGXGCMAMORDIRG-QWHCGFSZSA-N 1 2 343.496 3.845 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3sccc3[C@@H]1C)CC2 ZINC000474376978 1024851950 /nfs/dbraw/zinc/85/19/50/1024851950.db2.gz NGXGCMAMORDIRG-QWHCGFSZSA-N 1 2 343.496 3.845 20 0 EHADLO OCC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1cccnc1)c1ccco1 ZINC000346553447 1024893379 /nfs/dbraw/zinc/89/33/79/1024893379.db2.gz AGKAIRLQRKCUTO-PKOBYXMFSA-N 1 2 326.371 3.616 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@H]3CC(C)(C)CO3)c2)[nH+]c1C ZINC000895855853 1024914839 /nfs/dbraw/zinc/91/48/39/1024914839.db2.gz ULOFDUCJKKMHCB-INIZCTEOSA-N 1 2 327.428 3.837 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000053125208 1024933620 /nfs/dbraw/zinc/93/36/20/1024933620.db2.gz ZBSZMEZUUCTAPN-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000053125208 1024933633 /nfs/dbraw/zinc/93/36/33/1024933633.db2.gz ZBSZMEZUUCTAPN-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2OC(F)F)no1)Cc1ccccc1 ZINC000096953898 1024936169 /nfs/dbraw/zinc/93/61/69/1024936169.db2.gz OARZDLIWVKTAAZ-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2OC(F)F)no1)Cc1ccccc1 ZINC000096953898 1024936176 /nfs/dbraw/zinc/93/61/76/1024936176.db2.gz OARZDLIWVKTAAZ-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000346648835 1024960783 /nfs/dbraw/zinc/96/07/83/1024960783.db2.gz HJWKPAFYLKLZOK-UHFFFAOYSA-N 1 2 347.466 3.558 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000097039970 1024967935 /nfs/dbraw/zinc/96/79/35/1024967935.db2.gz LFQIFWVTDWQCDI-VQHVLOKHSA-N 1 2 326.396 3.676 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)C[C@H]2CCCCO2)cs1 ZINC000157629303 1024970615 /nfs/dbraw/zinc/97/06/15/1024970615.db2.gz WSZVCTSOONABKQ-OAHLLOKOSA-N 1 2 332.469 3.820 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)C[C@H]2CCCCO2)cs1 ZINC000157629303 1024970627 /nfs/dbraw/zinc/97/06/27/1024970627.db2.gz WSZVCTSOONABKQ-OAHLLOKOSA-N 1 2 332.469 3.820 20 0 EHADLO O=C(Nc1ccccc1F)NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346635551 1024975690 /nfs/dbraw/zinc/97/56/90/1024975690.db2.gz AXPQDOUHIPBXHM-UHFFFAOYSA-N 1 2 328.391 3.766 20 0 EHADLO O=C(CCc1ccnc2ccccc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000346655777 1024991558 /nfs/dbraw/zinc/99/15/58/1024991558.db2.gz VPBSBSNAZIKZLU-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO CCc1occc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000281393245 1024995514 /nfs/dbraw/zinc/99/55/14/1024995514.db2.gz HEZAINHMYKZLLW-UHFFFAOYSA-N 1 2 327.428 3.547 20 0 EHADLO c1coc(C2=CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000375660490 1025002179 /nfs/dbraw/zinc/00/21/79/1025002179.db2.gz NYNIWSAXXCEQKC-UHFFFAOYSA-N 1 2 335.407 3.737 20 0 EHADLO c1coc(C2=CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000375660490 1025002190 /nfs/dbraw/zinc/00/21/90/1025002190.db2.gz NYNIWSAXXCEQKC-UHFFFAOYSA-N 1 2 335.407 3.737 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000342343864 1025006832 /nfs/dbraw/zinc/00/68/32/1025006832.db2.gz NEWHGHSGEJYFQU-LJQANCHMSA-N 1 2 343.377 3.628 20 0 EHADLO C[C@H](CC(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000563221008 1025009602 /nfs/dbraw/zinc/00/96/02/1025009602.db2.gz YIEPUPZFXJAXDI-NXHRZFHOSA-N 1 2 341.455 3.539 20 0 EHADLO CC(C)Sc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548647722 1025017878 /nfs/dbraw/zinc/01/78/78/1025017878.db2.gz NSDDVBRWPIDJEC-CYBMUJFWSA-N 1 2 330.457 3.520 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000508298141 1025019874 /nfs/dbraw/zinc/01/98/74/1025019874.db2.gz HXEWNPBBKMNKOB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000508298141 1025019885 /nfs/dbraw/zinc/01/98/85/1025019885.db2.gz HXEWNPBBKMNKOB-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000515118916 1025030731 /nfs/dbraw/zinc/03/07/31/1025030731.db2.gz WAUAWXUSEBRSCA-CQSZACIVSA-N 1 2 331.485 3.711 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)[nH]1 ZINC000428215604 1025051843 /nfs/dbraw/zinc/05/18/43/1025051843.db2.gz MHIDHJCPUVPODZ-UHFFFAOYSA-N 1 2 339.443 3.648 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)[nH]1 ZINC000428215604 1025051857 /nfs/dbraw/zinc/05/18/57/1025051857.db2.gz MHIDHJCPUVPODZ-UHFFFAOYSA-N 1 2 339.443 3.648 20 0 EHADLO c1cn2cccc(-c3noc([C@@H]4CCC[C@@H](c5ccccc5)[NH2+]4)n3)c2n1 ZINC001211885886 1025052793 /nfs/dbraw/zinc/05/27/93/1025052793.db2.gz VABNBPOBGBHYJT-IRXDYDNUSA-N 1 2 345.406 3.940 20 0 EHADLO c1cn2cccc(-c3noc([C@@H]4CCC[C@H](c5ccccc5)[NH2+]4)n3)c2n1 ZINC001211885887 1025053226 /nfs/dbraw/zinc/05/32/26/1025053226.db2.gz VABNBPOBGBHYJT-SJORKVTESA-N 1 2 345.406 3.940 20 0 EHADLO CCn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C(F)(F)F)n1 ZINC000435691688 1025083610 /nfs/dbraw/zinc/08/36/10/1025083610.db2.gz MKCSYHZMZIHBHU-UHFFFAOYSA-N 1 2 349.316 3.564 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+]C(C)(C)c3cnn(C)c3)n2)cc1F ZINC000546000753 1025105879 /nfs/dbraw/zinc/10/58/79/1025105879.db2.gz JGHJKOTWFOAYKZ-LBPRGKRZSA-N 1 2 343.406 3.504 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nc(C(F)F)no1 ZINC000425406186 1025114768 /nfs/dbraw/zinc/11/47/68/1025114768.db2.gz LUWSOWMHGMJTKF-UHFFFAOYSA-N 1 2 331.750 3.562 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nc(C(F)F)no1 ZINC000425406186 1025114779 /nfs/dbraw/zinc/11/47/79/1025114779.db2.gz LUWSOWMHGMJTKF-UHFFFAOYSA-N 1 2 331.750 3.562 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000346777154 1025114793 /nfs/dbraw/zinc/11/47/93/1025114793.db2.gz CAGXUGLOTWGSAA-YHOLWWCESA-N 1 2 332.513 3.780 20 0 EHADLO Cc1ccc(NC(=O)N(C)C)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000435741055 1025117881 /nfs/dbraw/zinc/11/78/81/1025117881.db2.gz HHGAAZMIMUBBOC-UHFFFAOYSA-N 1 2 349.438 3.886 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000520943051 1025129186 /nfs/dbraw/zinc/12/91/86/1025129186.db2.gz AJSVAJZIBSRLBW-VQTJNVASSA-N 1 2 348.450 3.672 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000780499326 1025133515 /nfs/dbraw/zinc/13/35/15/1025133515.db2.gz RSBZBUSNMHKFQJ-MRXNPFEDSA-N 1 2 330.501 3.944 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000780499326 1025133519 /nfs/dbraw/zinc/13/35/19/1025133519.db2.gz RSBZBUSNMHKFQJ-MRXNPFEDSA-N 1 2 330.501 3.944 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000158088335 1025135305 /nfs/dbraw/zinc/13/53/05/1025135305.db2.gz SDNOFXGUXFCVJE-UHFFFAOYSA-N 1 2 347.789 3.717 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCC2CC2)C[C@H](C)O1 ZINC000157811614 1025161742 /nfs/dbraw/zinc/16/17/42/1025161742.db2.gz VDMUEXVMMMRYKO-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCC2CC2)C[C@H](C)O1 ZINC000157811614 1025161751 /nfs/dbraw/zinc/16/17/51/1025161751.db2.gz VDMUEXVMMMRYKO-IYBDPMFKSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390708 1025163643 /nfs/dbraw/zinc/16/36/43/1025163643.db2.gz QSMNQRTUVYKDIQ-RDBSUJKOSA-N 1 2 336.505 3.780 20 0 EHADLO C[C@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390708 1025163648 /nfs/dbraw/zinc/16/36/48/1025163648.db2.gz QSMNQRTUVYKDIQ-RDBSUJKOSA-N 1 2 336.505 3.780 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000657322964 1025164340 /nfs/dbraw/zinc/16/43/40/1025164340.db2.gz LKJZBKWKCUJBJJ-OAHLLOKOSA-N 1 2 328.460 3.738 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc(C(F)(F)F)s2)o1 ZINC000443991258 1025166417 /nfs/dbraw/zinc/16/64/17/1025166417.db2.gz TVEXFZBYRIPBQR-NSHDSACASA-N 1 2 334.363 3.795 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000602917288 1033263465 /nfs/dbraw/zinc/26/34/65/1033263465.db2.gz CHYDQBMWODQRQR-BJJXKVORSA-N 1 2 333.457 3.504 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@H]1C1CC1 ZINC000896144702 1025172779 /nfs/dbraw/zinc/17/27/79/1025172779.db2.gz YOJOTLBOHRMZJT-NWDGAFQWSA-N 1 2 342.892 3.596 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1C1CC1 ZINC000896144702 1025172786 /nfs/dbraw/zinc/17/27/86/1025172786.db2.gz YOJOTLBOHRMZJT-NWDGAFQWSA-N 1 2 342.892 3.596 20 0 EHADLO Fc1ccc2nc(C[NH2+]Cc3ccc4c(n3)CCCC4)sc2c1 ZINC000444004526 1025177606 /nfs/dbraw/zinc/17/76/06/1025177606.db2.gz MLSIBTQMICJKJJ-UHFFFAOYSA-N 1 2 327.428 3.999 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nc(Br)c[nH]1)C(C)(C)C ZINC000897994459 1033266900 /nfs/dbraw/zinc/26/69/00/1033266900.db2.gz QWEZHGBOQKSHKC-AWEZNQCLSA-N 1 2 337.265 3.753 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638151252 1025216823 /nfs/dbraw/zinc/21/68/23/1025216823.db2.gz BNRNQILMDFMUCO-MSOLQXFVSA-N 1 2 327.476 3.992 20 0 EHADLO CCCN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442240456 1025221516 /nfs/dbraw/zinc/22/15/16/1025221516.db2.gz GTHGTHFMZMYHHV-SFHVURJKSA-N 1 2 328.460 3.683 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000431352181 1025225162 /nfs/dbraw/zinc/22/51/62/1025225162.db2.gz RYQFQXOKTHWIDV-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281555550 1025226941 /nfs/dbraw/zinc/22/69/41/1025226941.db2.gz XUDNUJQJGJFNHM-GOSISDBHSA-N 1 2 336.439 3.620 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281555550 1025226948 /nfs/dbraw/zinc/22/69/48/1025226948.db2.gz XUDNUJQJGJFNHM-GOSISDBHSA-N 1 2 336.439 3.620 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(c2ccc(F)cc2F)CCC1 ZINC000346853405 1025243235 /nfs/dbraw/zinc/24/32/35/1025243235.db2.gz SPAIJULBYLXEBH-UHFFFAOYSA-N 1 2 327.334 3.673 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346853248 1025243524 /nfs/dbraw/zinc/24/35/24/1025243524.db2.gz WBCHTMIRTYAQRH-UHFFFAOYSA-N 1 2 345.402 3.950 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)C2CCC2)c1C ZINC000521204667 1025263242 /nfs/dbraw/zinc/26/32/42/1025263242.db2.gz DZDFMOQFYDGSFL-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1ncnn1-c1ccccc1)C(C)(C)C ZINC000934290057 1025278986 /nfs/dbraw/zinc/27/89/86/1025278986.db2.gz UXVOBWKYLWKCMP-IBGZPJMESA-N 1 2 335.455 3.848 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)C(C)(C)C ZINC000934290001 1025279146 /nfs/dbraw/zinc/27/91/46/1025279146.db2.gz UCNOCWGHIBSFHH-HXUWFJFHSA-N 1 2 349.482 3.907 20 0 EHADLO CCOC(=O)CC[N@H+](C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000435996474 1025282795 /nfs/dbraw/zinc/28/27/95/1025282795.db2.gz TWMFMLKSDQUOBQ-UHFFFAOYSA-N 1 2 333.457 3.580 20 0 EHADLO CCOC(=O)CC[N@@H+](C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000435996474 1025282813 /nfs/dbraw/zinc/28/28/13/1025282813.db2.gz TWMFMLKSDQUOBQ-UHFFFAOYSA-N 1 2 333.457 3.580 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281610271 1025295341 /nfs/dbraw/zinc/29/53/41/1025295341.db2.gz SGVZIEUTUHHMKM-CWRNSKLLSA-N 1 2 344.846 3.508 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@@H](C)C[C@@H]3c3ccco3)nc(N)c2c1C ZINC000154088774 1025305186 /nfs/dbraw/zinc/30/51/86/1025305186.db2.gz PCVUQMDQABCCAZ-BXUZGUMPSA-N 1 2 340.427 3.988 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@@H](C)C[C@@H]3c3ccco3)nc(N)c2c1C ZINC000154088774 1025305198 /nfs/dbraw/zinc/30/51/98/1025305198.db2.gz PCVUQMDQABCCAZ-BXUZGUMPSA-N 1 2 340.427 3.988 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436051012 1025330690 /nfs/dbraw/zinc/33/06/90/1025330690.db2.gz JTGOAKFHZJNFEM-RDJZCZTQSA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436051012 1025330706 /nfs/dbraw/zinc/33/07/06/1025330706.db2.gz JTGOAKFHZJNFEM-RDJZCZTQSA-N 1 2 349.837 3.681 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cccc(OC4CC4)c3F)cn2c1 ZINC000657346999 1025349518 /nfs/dbraw/zinc/34/95/18/1025349518.db2.gz KVRGDYMJKCBIGB-UHFFFAOYSA-N 1 2 325.387 3.613 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc(Br)o1 ZINC000349698279 1025351135 /nfs/dbraw/zinc/35/11/35/1025351135.db2.gz GUVLPEHYAXPGCE-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000349698279 1025351144 /nfs/dbraw/zinc/35/11/44/1025351144.db2.gz GUVLPEHYAXPGCE-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346978643 1025356332 /nfs/dbraw/zinc/35/63/32/1025356332.db2.gz ULSKLQYWMMCMHP-LJQANCHMSA-N 1 2 337.467 3.982 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346978643 1025356348 /nfs/dbraw/zinc/35/63/48/1025356348.db2.gz ULSKLQYWMMCMHP-LJQANCHMSA-N 1 2 337.467 3.982 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1F ZINC000607746483 1033278079 /nfs/dbraw/zinc/27/80/79/1033278079.db2.gz RQYVIKSGOUAXSK-DJJJIMSYSA-N 1 2 333.378 3.935 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1F ZINC000607746483 1033278093 /nfs/dbraw/zinc/27/80/93/1033278093.db2.gz RQYVIKSGOUAXSK-DJJJIMSYSA-N 1 2 333.378 3.935 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC12CCCC2 ZINC000474699090 1025358818 /nfs/dbraw/zinc/35/88/18/1025358818.db2.gz UVWMKJDYBDTOIK-ZBFHGGJFSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC12CCCC2 ZINC000474699090 1025358832 /nfs/dbraw/zinc/35/88/32/1025358832.db2.gz UVWMKJDYBDTOIK-ZBFHGGJFSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CC12CCCC2 ZINC000474699087 1025360148 /nfs/dbraw/zinc/36/01/48/1025360148.db2.gz UVWMKJDYBDTOIK-GDBMZVCRSA-N 1 2 348.437 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CC12CCCC2 ZINC000474699087 1025360165 /nfs/dbraw/zinc/36/01/65/1025360165.db2.gz UVWMKJDYBDTOIK-GDBMZVCRSA-N 1 2 348.437 3.626 20 0 EHADLO CCC[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccn1 ZINC000346971878 1025368905 /nfs/dbraw/zinc/36/89/05/1025368905.db2.gz IZHJVCHQERSTNS-ZDUSSCGKSA-N 1 2 349.360 3.774 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346982796 1025383827 /nfs/dbraw/zinc/38/38/27/1025383827.db2.gz OCUKRLYAOZUUOU-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346982796 1025383838 /nfs/dbraw/zinc/38/38/38/1025383838.db2.gz OCUKRLYAOZUUOU-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000346985527 1025385295 /nfs/dbraw/zinc/38/52/95/1025385295.db2.gz OXKGNDMGDJWLTO-DQLDELGASA-N 1 2 345.446 3.597 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000346985541 1025385381 /nfs/dbraw/zinc/38/53/81/1025385381.db2.gz OYQWHSGLXGWSGB-CQSZACIVSA-N 1 2 345.874 3.710 20 0 EHADLO C[C@H](CC(=O)N(C)[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000515657364 1025439166 /nfs/dbraw/zinc/43/91/66/1025439166.db2.gz USQAASMSVMQQTD-IUODEOHRSA-N 1 2 325.334 3.596 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000281739355 1025439651 /nfs/dbraw/zinc/43/96/51/1025439651.db2.gz VKWYLFQXIPCMIH-UHFFFAOYSA-N 1 2 346.450 3.761 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000281739355 1025439665 /nfs/dbraw/zinc/43/96/65/1025439665.db2.gz VKWYLFQXIPCMIH-UHFFFAOYSA-N 1 2 346.450 3.761 20 0 EHADLO OCC[C@@H]1CCc2ccccc2N1Cc1c[nH+]cn1Cc1ccccc1 ZINC000425484213 1025441320 /nfs/dbraw/zinc/44/13/20/1025441320.db2.gz IBQQRYFWUCMYGE-FQEVSTJZSA-N 1 2 347.462 3.635 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CCS1 ZINC000896454899 1025444910 /nfs/dbraw/zinc/44/49/10/1025444910.db2.gz BGPBSYGIZUFSCT-LLVKDONJSA-N 1 2 333.404 3.618 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CCS1 ZINC000896454899 1025444920 /nfs/dbraw/zinc/44/49/20/1025444920.db2.gz BGPBSYGIZUFSCT-LLVKDONJSA-N 1 2 333.404 3.618 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000014279474 1025459998 /nfs/dbraw/zinc/45/99/98/1025459998.db2.gz QCWHAZXNAORLTE-GFCCVEGCSA-N 1 2 331.832 3.666 20 0 EHADLO COC1CC[NH+](Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 ZINC000054358468 1025466291 /nfs/dbraw/zinc/46/62/91/1025466291.db2.gz ZMTHCWGOXOBYSS-UHFFFAOYSA-N 1 2 331.485 3.693 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)sc1C ZINC000121519047 1025480364 /nfs/dbraw/zinc/48/03/64/1025480364.db2.gz YOKPXEKZGBLHNM-MRXNPFEDSA-N 1 2 330.453 3.698 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000436245590 1025492615 /nfs/dbraw/zinc/49/26/15/1025492615.db2.gz VQOMIXVRFGHMFP-UHFFFAOYSA-N 1 2 346.793 3.690 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000451068027 1025509722 /nfs/dbraw/zinc/50/97/22/1025509722.db2.gz GYULQXRKCYBKLT-GFCCVEGCSA-N 1 2 345.447 3.837 20 0 EHADLO Fc1cncc([C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C2CC2)c1 ZINC000281814058 1025519452 /nfs/dbraw/zinc/51/94/52/1025519452.db2.gz ZEXJRDXPCXNCOC-QGZVFWFLSA-N 1 2 340.427 3.980 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665453795 1025547333 /nfs/dbraw/zinc/54/73/33/1025547333.db2.gz UCMNWKXQUKNREO-IAGOWNOFSA-N 1 2 330.476 3.733 20 0 EHADLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H](C)c1cccc(OC)c1 ZINC000582190363 1025552853 /nfs/dbraw/zinc/55/28/53/1025552853.db2.gz RWUHFBXXCDWMGK-OAHLLOKOSA-N 1 2 337.423 3.875 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccs1 ZINC000281833133 1025554380 /nfs/dbraw/zinc/55/43/80/1025554380.db2.gz ADHJGRGPPRDUAF-GJZGRUSLSA-N 1 2 343.496 3.791 20 0 EHADLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1c[nH]c2ccccc12 ZINC000442890122 1025571323 /nfs/dbraw/zinc/57/13/23/1025571323.db2.gz NEMSEJDIEXUCQP-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1c[nH]c2ccccc12 ZINC000442890122 1025571332 /nfs/dbraw/zinc/57/13/32/1025571332.db2.gz NEMSEJDIEXUCQP-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO F[C@]1(c2ccccc2)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000582193324 1025573786 /nfs/dbraw/zinc/57/37/86/1025573786.db2.gz PWCNRGMLNYNYPR-LJQANCHMSA-N 1 2 326.419 3.542 20 0 EHADLO F[C@]1(c2ccccc2)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000582193324 1025573799 /nfs/dbraw/zinc/57/37/99/1025573799.db2.gz PWCNRGMLNYNYPR-LJQANCHMSA-N 1 2 326.419 3.542 20 0 EHADLO C/C=C/C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404639 1025575061 /nfs/dbraw/zinc/57/50/61/1025575061.db2.gz DQJGFCIIYUEUHO-RCAFFNEUSA-N 1 2 342.487 3.570 20 0 EHADLO O=C(CC1=CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281835209 1025581632 /nfs/dbraw/zinc/58/16/32/1025581632.db2.gz AGBVCCLOWOXOMB-KRWDZBQOSA-N 1 2 327.472 3.816 20 0 EHADLO Cc1nnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)s1 ZINC000425513725 1025592115 /nfs/dbraw/zinc/59/21/15/1025592115.db2.gz OWKSNQFZBADWHV-UHFFFAOYSA-N 1 2 334.514 3.561 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000469831691 1025627311 /nfs/dbraw/zinc/62/73/11/1025627311.db2.gz PTPKKIYHDZANTD-CKRXIKOQSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000469831691 1025627320 /nfs/dbraw/zinc/62/73/20/1025627320.db2.gz PTPKKIYHDZANTD-CKRXIKOQSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892227018 1025630893 /nfs/dbraw/zinc/63/08/93/1025630893.db2.gz YZHZUBQVBYYTGI-LQAWEQHXSA-N 1 2 341.373 3.518 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892227018 1025630896 /nfs/dbraw/zinc/63/08/96/1025630896.db2.gz YZHZUBQVBYYTGI-LQAWEQHXSA-N 1 2 341.373 3.518 20 0 EHADLO CCC[C@@](C)(NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000892225701 1025638749 /nfs/dbraw/zinc/63/87/49/1025638749.db2.gz CKHLWSDLEHNONL-LJQANCHMSA-N 1 2 328.460 3.678 20 0 EHADLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000329171554 1025643310 /nfs/dbraw/zinc/64/33/10/1025643310.db2.gz KOHMBXOGOJWPPF-CABCVRRESA-N 1 2 332.835 3.578 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000511093160 1025645729 /nfs/dbraw/zinc/64/57/29/1025645729.db2.gz CQEIUHIKTNYPGT-UHFFFAOYSA-N 1 2 347.890 3.825 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000515853582 1025679804 /nfs/dbraw/zinc/67/98/04/1025679804.db2.gz AHZWCHRWLVPHHV-UHFFFAOYSA-N 1 2 345.370 3.888 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892233478 1025695355 /nfs/dbraw/zinc/69/53/55/1025695355.db2.gz RLQRIKNMRXTRID-KRWDZBQOSA-N 1 2 327.403 3.595 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892233478 1025695361 /nfs/dbraw/zinc/69/53/61/1025695361.db2.gz RLQRIKNMRXTRID-KRWDZBQOSA-N 1 2 327.403 3.595 20 0 EHADLO CCCCOC1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000347229098 1025697103 /nfs/dbraw/zinc/69/71/03/1025697103.db2.gz JYZLKPUQTIVNPN-UHFFFAOYSA-N 1 2 341.455 3.602 20 0 EHADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000073127095 1025704657 /nfs/dbraw/zinc/70/46/57/1025704657.db2.gz JZQXMCYOOAYLCT-CQSZACIVSA-N 1 2 326.227 3.848 20 0 EHADLO CC(C)[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccccc1F ZINC000521821287 1025711168 /nfs/dbraw/zinc/71/11/68/1025711168.db2.gz BQTNQJTWBIMDSC-CQSZACIVSA-N 1 2 334.460 3.975 20 0 EHADLO CC(C)[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccccc1F ZINC000521821287 1025711186 /nfs/dbraw/zinc/71/11/86/1025711186.db2.gz BQTNQJTWBIMDSC-CQSZACIVSA-N 1 2 334.460 3.975 20 0 EHADLO Cc1ccc(C)c([C@H]2CN(c3nc(N)c4ccccc4[nH+]3)[C@@H](C)CO2)c1 ZINC000530370512 1025721648 /nfs/dbraw/zinc/72/16/48/1025721648.db2.gz LGRKEGPGRABZOL-HNAYVOBHSA-N 1 2 348.450 3.626 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329293087 1025729000 /nfs/dbraw/zinc/72/90/00/1025729000.db2.gz BCWKGIPZZIYQCR-LBPRGKRZSA-N 1 2 333.819 3.563 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCOCC2(CC2)C1 ZINC000329293087 1025729018 /nfs/dbraw/zinc/72/90/18/1025729018.db2.gz BCWKGIPZZIYQCR-LBPRGKRZSA-N 1 2 333.819 3.563 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249411 1025743779 /nfs/dbraw/zinc/74/37/79/1025743779.db2.gz NJPIENZLFOZBNZ-GUYCJALGSA-N 1 2 328.485 3.720 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000347249411 1025743794 /nfs/dbraw/zinc/74/37/94/1025743794.db2.gz NJPIENZLFOZBNZ-GUYCJALGSA-N 1 2 328.485 3.720 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657384614 1025764867 /nfs/dbraw/zinc/76/48/67/1025764867.db2.gz VMJSSDFHZPSXAW-GOSISDBHSA-N 1 2 328.460 3.889 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128239208 1025768391 /nfs/dbraw/zinc/76/83/91/1025768391.db2.gz WGOMCICHXYMEFN-GDBMZVCRSA-N 1 2 345.512 3.984 20 0 EHADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128239208 1025768399 /nfs/dbraw/zinc/76/83/99/1025768399.db2.gz WGOMCICHXYMEFN-GDBMZVCRSA-N 1 2 345.512 3.984 20 0 EHADLO COCCN(Cc1ccc(C)o1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436491819 1025775106 /nfs/dbraw/zinc/77/51/06/1025775106.db2.gz IIAOKFXYBYGODC-UHFFFAOYSA-N 1 2 331.416 3.589 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(-c3cc[nH]n3)cc1)C2 ZINC000530422143 1025793394 /nfs/dbraw/zinc/79/33/94/1025793394.db2.gz WPCOUOPNASWORT-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(-c3cc[nH]n3)cc1)CC2 ZINC000530422143 1025793410 /nfs/dbraw/zinc/79/34/10/1025793410.db2.gz WPCOUOPNASWORT-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO Cc1cc(C)c(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)c(C)c1 ZINC000443203224 1025806880 /nfs/dbraw/zinc/80/68/80/1025806880.db2.gz LNLQYUFSMGHBQJ-HNNXBMFYSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1cc(C)c(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)c(C)c1 ZINC000443203224 1025806899 /nfs/dbraw/zinc/80/68/99/1025806899.db2.gz LNLQYUFSMGHBQJ-HNNXBMFYSA-N 1 2 331.485 3.523 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccn2)cc1 ZINC000451382851 1025884079 /nfs/dbraw/zinc/88/40/79/1025884079.db2.gz YDWPKMRJPOLKCS-QGZVFWFLSA-N 1 2 339.483 3.589 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccn2)cc1 ZINC000451382851 1025884095 /nfs/dbraw/zinc/88/40/95/1025884095.db2.gz YDWPKMRJPOLKCS-QGZVFWFLSA-N 1 2 339.483 3.589 20 0 EHADLO CCc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)sc1C ZINC000582339984 1025896027 /nfs/dbraw/zinc/89/60/27/1025896027.db2.gz LWRHAMYKRCFJEH-UONOGXRCSA-N 1 2 333.457 3.595 20 0 EHADLO CCc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)sc1C ZINC000582339984 1025896039 /nfs/dbraw/zinc/89/60/39/1025896039.db2.gz LWRHAMYKRCFJEH-UONOGXRCSA-N 1 2 333.457 3.595 20 0 EHADLO Cc1sc2nc(SCCn3cc[nH+]c3)n(C(C)C)c(=O)c2c1C ZINC000121848471 1025912898 /nfs/dbraw/zinc/91/28/98/1025912898.db2.gz VNTGIWJEZZAYSR-UHFFFAOYSA-N 1 2 348.497 3.645 20 0 EHADLO CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000522479768 1025918106 /nfs/dbraw/zinc/91/81/06/1025918106.db2.gz NXLULPQDNRAOMT-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)[nH+]c1C ZINC000896910973 1025944834 /nfs/dbraw/zinc/94/48/34/1025944834.db2.gz ICBYIFIKYSFHOF-UHFFFAOYSA-N 1 2 331.725 3.629 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522480744 1025963717 /nfs/dbraw/zinc/96/37/17/1025963717.db2.gz JTJDBRUFRLZLQC-UHFFFAOYSA-N 1 2 348.450 3.993 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c1C ZINC000444269445 1025991563 /nfs/dbraw/zinc/99/15/63/1025991563.db2.gz OKIHAIJUNBILTA-UHFFFAOYSA-N 1 2 330.394 3.972 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c1C ZINC000444269445 1025991574 /nfs/dbraw/zinc/99/15/74/1025991574.db2.gz OKIHAIJUNBILTA-UHFFFAOYSA-N 1 2 330.394 3.972 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc4ccccc4c3)[nH+]c12 ZINC000522965004 1026009277 /nfs/dbraw/zinc/00/92/77/1026009277.db2.gz IBOWYSYRMDICTH-UHFFFAOYSA-N 1 2 343.430 3.997 20 0 EHADLO O=C(/C=C/c1ccc(Cl)s1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012729 1026023794 /nfs/dbraw/zinc/02/37/94/1026023794.db2.gz PNBBMQGFYTWEPM-GQCTYLIASA-N 1 2 347.871 3.726 20 0 EHADLO Cc1[nH]c(CNC(=O)CCC(=O)c2ccc(CC(C)C)cc2)[nH+]c1C ZINC000896921846 1026040894 /nfs/dbraw/zinc/04/08/94/1026040894.db2.gz GYRFEMWRCUCFAE-UHFFFAOYSA-N 1 2 341.455 3.504 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327726 1026062484 /nfs/dbraw/zinc/06/24/84/1026062484.db2.gz ICNHCDOSDNBOBY-GJZGRUSLSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327726 1026062501 /nfs/dbraw/zinc/06/25/01/1026062501.db2.gz ICNHCDOSDNBOBY-GJZGRUSLSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327729 1026063419 /nfs/dbraw/zinc/06/34/19/1026063419.db2.gz ICNHCDOSDNBOBY-CABCVRRESA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327729 1026063439 /nfs/dbraw/zinc/06/34/39/1026063439.db2.gz ICNHCDOSDNBOBY-CABCVRRESA-N 1 2 344.430 3.532 20 0 EHADLO CCOCCCCCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821909 1026106160 /nfs/dbraw/zinc/10/61/60/1026106160.db2.gz XJQDEPPFFZADAS-UHFFFAOYSA-N 1 2 340.427 3.595 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938132 1026115612 /nfs/dbraw/zinc/11/56/12/1026115612.db2.gz JCPHMVJJRUOEPL-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938132 1026115621 /nfs/dbraw/zinc/11/56/21/1026115621.db2.gz JCPHMVJJRUOEPL-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000530666269 1026184060 /nfs/dbraw/zinc/18/40/60/1026184060.db2.gz RZROQQPVVKSOMS-GOSISDBHSA-N 1 2 346.858 3.745 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000530666269 1026184064 /nfs/dbraw/zinc/18/40/64/1026184064.db2.gz RZROQQPVVKSOMS-GOSISDBHSA-N 1 2 346.858 3.745 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000152486671 1026205546 /nfs/dbraw/zinc/20/55/46/1026205546.db2.gz LVFSQROSGQGBGQ-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000511121508 1026237763 /nfs/dbraw/zinc/23/77/63/1026237763.db2.gz KORICGKQFINOBG-UHFFFAOYSA-N 1 2 336.464 3.833 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000511121508 1026237773 /nfs/dbraw/zinc/23/77/73/1026237773.db2.gz KORICGKQFINOBG-UHFFFAOYSA-N 1 2 336.464 3.833 20 0 EHADLO CC(C)[C@@H](NC(=O)COc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000530717665 1026241590 /nfs/dbraw/zinc/24/15/90/1026241590.db2.gz TZRJYWYXIMTQFK-OAQYLSRUSA-N 1 2 349.434 3.765 20 0 EHADLO C[N@H+](CCC(=O)c1ccc(F)cc1)Cc1nc2c(s1)CCCC2 ZINC000122124184 1026248496 /nfs/dbraw/zinc/24/84/96/1026248496.db2.gz PNFSAUJRKDGZIQ-UHFFFAOYSA-N 1 2 332.444 3.866 20 0 EHADLO C[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1nc2c(s1)CCCC2 ZINC000122124184 1026248509 /nfs/dbraw/zinc/24/85/09/1026248509.db2.gz PNFSAUJRKDGZIQ-UHFFFAOYSA-N 1 2 332.444 3.866 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccccc2F)CC1 ZINC000277603266 1026269561 /nfs/dbraw/zinc/26/95/61/1026269561.db2.gz QCXCOUOTHMVSEM-UHFFFAOYSA-N 1 2 343.446 3.555 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451801884 1026291702 /nfs/dbraw/zinc/29/17/02/1026291702.db2.gz RJIFOVCQNYZHGM-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451801884 1026291713 /nfs/dbraw/zinc/29/17/13/1026291713.db2.gz RJIFOVCQNYZHGM-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccnn2CC2CCC2)o1 ZINC000925139637 1026321689 /nfs/dbraw/zinc/32/16/89/1026321689.db2.gz FHVXGQBYCQXQIL-PBHICJAKSA-N 1 2 331.460 3.877 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H](C2CC2)C1 ZINC000342582248 1026354308 /nfs/dbraw/zinc/35/43/08/1026354308.db2.gz HMTKRSJLTFGESK-HNNXBMFYSA-N 1 2 348.516 3.783 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3CCCCCC3)cn2c1 ZINC000043507494 1026358165 /nfs/dbraw/zinc/35/81/65/1026358165.db2.gz LHGXSLQYJQWTDL-UHFFFAOYSA-N 1 2 331.485 3.715 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000530863694 1026363496 /nfs/dbraw/zinc/36/34/96/1026363496.db2.gz NAIIHFUGOPNGTH-AWEZNQCLSA-N 1 2 339.277 3.898 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000530863694 1026363506 /nfs/dbraw/zinc/36/35/06/1026363506.db2.gz NAIIHFUGOPNGTH-AWEZNQCLSA-N 1 2 339.277 3.898 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897105624 1026365087 /nfs/dbraw/zinc/36/50/87/1026365087.db2.gz CRPRKPLOPAMNEL-JKSUJKDBSA-N 1 2 327.428 3.537 20 0 EHADLO Fc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)cc1F ZINC001142005754 1026421282 /nfs/dbraw/zinc/42/12/82/1026421282.db2.gz ISAXJVXHBPBFHZ-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1cc(Br)c(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1F ZINC001142005754 1026421289 /nfs/dbraw/zinc/42/12/89/1026421289.db2.gz ISAXJVXHBPBFHZ-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000511140948 1026427362 /nfs/dbraw/zinc/42/73/62/1026427362.db2.gz LFPIKFXYECGGKN-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451971660 1026428628 /nfs/dbraw/zinc/42/86/28/1026428628.db2.gz NHEJVFLUUHWKNJ-KRWDZBQOSA-N 1 2 345.455 3.707 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451971660 1026428633 /nfs/dbraw/zinc/42/86/33/1026428633.db2.gz NHEJVFLUUHWKNJ-KRWDZBQOSA-N 1 2 345.455 3.707 20 0 EHADLO c1nn2c(c1CNc1cccc(-c3[nH+]cc4n3CCCC4)c1)CCC2 ZINC000657449852 1026481501 /nfs/dbraw/zinc/48/15/01/1026481501.db2.gz GUDDTUIQDWJRCZ-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475367432 1026525676 /nfs/dbraw/zinc/52/56/76/1026525676.db2.gz GQHAKKQGSJQKTR-KRWDZBQOSA-N 1 2 328.460 3.835 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000684906846 1026533295 /nfs/dbraw/zinc/53/32/95/1026533295.db2.gz ZNGNVEQCHYUAMX-INIZCTEOSA-N 1 2 347.503 3.614 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CCCC1 ZINC000475382341 1026542654 /nfs/dbraw/zinc/54/26/54/1026542654.db2.gz UWATVLGCIBGLIS-UHFFFAOYSA-N 1 2 328.460 3.835 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582555730 1026578326 /nfs/dbraw/zinc/57/83/26/1026578326.db2.gz PZWFSARLAIAYCF-HUUCEWRRSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582555730 1026578333 /nfs/dbraw/zinc/57/83/33/1026578333.db2.gz PZWFSARLAIAYCF-HUUCEWRRSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582555731 1026578502 /nfs/dbraw/zinc/57/85/02/1026578502.db2.gz PZWFSARLAIAYCF-LSDHHAIUSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582555731 1026578509 /nfs/dbraw/zinc/57/85/09/1026578509.db2.gz PZWFSARLAIAYCF-LSDHHAIUSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@]2(C)CC2(C)C)C[C@H](C)O1 ZINC000665625945 1026616923 /nfs/dbraw/zinc/61/69/23/1026616923.db2.gz PDSWAJSUNTZEIZ-MDOVXXIYSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@]2(C)CC2(C)C)C[C@H](C)O1 ZINC000665625945 1026616926 /nfs/dbraw/zinc/61/69/26/1026616926.db2.gz PDSWAJSUNTZEIZ-MDOVXXIYSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000760112100 1026619616 /nfs/dbraw/zinc/61/96/16/1026619616.db2.gz ILAFZEUNUDHIBF-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(Cc2ccccc2Cl)CC1 ZINC000347324406 1026633206 /nfs/dbraw/zinc/63/32/06/1026633206.db2.gz FNHPUOVPDDJTJQ-UHFFFAOYSA-N 1 2 325.799 3.949 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167965325 1026637734 /nfs/dbraw/zinc/63/77/34/1026637734.db2.gz YKCCVQQMBDGKEK-ZBFHGGJFSA-N 1 2 328.460 3.904 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1C ZINC000611624792 1026640640 /nfs/dbraw/zinc/64/06/40/1026640640.db2.gz QDNOWHFPXQGRQS-RYRKJORJSA-N 1 2 344.503 3.696 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000452331126 1026662315 /nfs/dbraw/zinc/66/23/15/1026662315.db2.gz CFMKSAFCVUKTOU-ZOBORPQBSA-N 1 2 325.412 3.678 20 0 EHADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335487 1026668017 /nfs/dbraw/zinc/66/80/17/1026668017.db2.gz QPBLKKQBYXNVDZ-LBPRGKRZSA-N 1 2 345.830 3.720 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000582597590 1026706383 /nfs/dbraw/zinc/70/63/83/1026706383.db2.gz VHSAGUFCFNOFTJ-KRWDZBQOSA-N 1 2 347.418 3.663 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCc1c(C)noc1C ZINC000301202079 1026722022 /nfs/dbraw/zinc/72/20/22/1026722022.db2.gz QOVDZBQABLQKBY-UHFFFAOYSA-N 1 2 339.395 3.671 20 0 EHADLO CCCCCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729576977 1026725334 /nfs/dbraw/zinc/72/53/34/1026725334.db2.gz YTEJPLORDDETQY-INIZCTEOSA-N 1 2 333.476 3.782 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122778996 1026727426 /nfs/dbraw/zinc/72/74/26/1026727426.db2.gz UCOZMMGDLVJPDN-IIVZCXTMSA-N 1 2 343.858 3.750 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000611643694 1026728703 /nfs/dbraw/zinc/72/87/03/1026728703.db2.gz NYIHGUYGQBNLCA-QRVBRYPASA-N 1 2 341.499 3.583 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ccccc3-n3cccn3)[nH+]cn2)C1 ZINC000301251705 1026739032 /nfs/dbraw/zinc/73/90/32/1026739032.db2.gz PYIXSAYKNOGNDU-INIZCTEOSA-N 1 2 348.454 3.511 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ccccc3-n3cccn3)nc[nH+]2)C1 ZINC000301251705 1026739036 /nfs/dbraw/zinc/73/90/36/1026739036.db2.gz PYIXSAYKNOGNDU-INIZCTEOSA-N 1 2 348.454 3.511 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000277746303 1026769182 /nfs/dbraw/zinc/76/91/82/1026769182.db2.gz QNZJFUMTWAAFOE-DOMZBBRYSA-N 1 2 339.361 3.638 20 0 EHADLO Cc1cc(-c2noc(Cn3cc[nH+]c3)n2)ccc1N1CCC[C@H](C)C1 ZINC000277750600 1026795137 /nfs/dbraw/zinc/79/51/37/1026795137.db2.gz CJPMNRAIQQEXKX-AWEZNQCLSA-N 1 2 337.427 3.526 20 0 EHADLO CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccncc1 ZINC000342712052 1026803014 /nfs/dbraw/zinc/80/30/14/1026803014.db2.gz ILESEPKVHYCRFK-ROUUACIJSA-N 1 2 334.423 3.594 20 0 EHADLO CC(C)(C)c1nccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000301509664 1026834787 /nfs/dbraw/zinc/83/47/87/1026834787.db2.gz ICILRHSORHLLNH-UHFFFAOYSA-N 1 2 325.391 3.711 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122974745 1026881174 /nfs/dbraw/zinc/88/11/74/1026881174.db2.gz RPHVNZZDAJMBSI-IAQYHMDHSA-N 1 2 338.238 3.913 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ccnc(Cl)c3)CC2)cc1 ZINC000301648816 1026887435 /nfs/dbraw/zinc/88/74/35/1026887435.db2.gz QVSVLAAGEXWKMU-UHFFFAOYSA-N 1 2 330.863 3.882 20 0 EHADLO Cc1ccc2c(c1)[C@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CO2 ZINC000301669589 1026893031 /nfs/dbraw/zinc/89/30/31/1026893031.db2.gz NREXEKMNLRJWAV-QGZVFWFLSA-N 1 2 343.390 3.670 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccccc3C(C)(C)C)[nH+]c12 ZINC000125548836 1026901745 /nfs/dbraw/zinc/90/17/45/1026901745.db2.gz CKFRHJHSKBZJGX-UHFFFAOYSA-N 1 2 335.451 3.913 20 0 EHADLO FC(F)(F)c1csc(Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000301732215 1026918948 /nfs/dbraw/zinc/91/89/48/1026918948.db2.gz PSCFMJRJNDJORR-UHFFFAOYSA-N 1 2 343.374 3.738 20 0 EHADLO O[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000301826320 1026954850 /nfs/dbraw/zinc/95/48/50/1026954850.db2.gz MXJOEYZLBVIVNA-GOSISDBHSA-N 1 2 334.423 3.597 20 0 EHADLO O[C@H](CNc1cc(NCC2CC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000301826320 1026954859 /nfs/dbraw/zinc/95/48/59/1026954859.db2.gz MXJOEYZLBVIVNA-GOSISDBHSA-N 1 2 334.423 3.597 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccccc1OC(F)F ZINC000301850393 1026964122 /nfs/dbraw/zinc/96/41/22/1026964122.db2.gz ADCWNDOQCZPIJU-UHFFFAOYSA-N 1 2 347.369 3.795 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301855424 1026965211 /nfs/dbraw/zinc/96/52/11/1026965211.db2.gz ASZJJSFAKXCYPL-CYBMUJFWSA-N 1 2 330.395 3.571 20 0 EHADLO CN(Cc1cc2ccccc2o1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301868457 1026971430 /nfs/dbraw/zinc/97/14/30/1026971430.db2.gz GRUXECGWDVBFFB-UHFFFAOYSA-N 1 2 335.411 3.964 20 0 EHADLO Cc1cccn2c(CN[C@H](C)c3nc(C4CCCCC4)no3)c[nH+]c12 ZINC000237360285 1026973515 /nfs/dbraw/zinc/97/35/15/1026973515.db2.gz GCIKQONGTWBYRO-CQSZACIVSA-N 1 2 339.443 3.924 20 0 EHADLO CO[C@@H](CNc1nc(N)c2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000301877514 1026974218 /nfs/dbraw/zinc/97/42/18/1026974218.db2.gz HERCACBTASRFMI-HNNXBMFYSA-N 1 2 328.803 3.665 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1-n1cccn1 ZINC000301892830 1026982032 /nfs/dbraw/zinc/98/20/32/1026982032.db2.gz MMYFHRCBGRXABD-ZDUSSCGKSA-N 1 2 330.395 3.571 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903041 1026986821 /nfs/dbraw/zinc/98/68/21/1026986821.db2.gz WYXOHSPJLAISPC-STQMWFEESA-N 1 2 333.505 3.692 20 0 EHADLO Nc1nc(NC[C@H](O)c2c(Cl)cccc2Cl)[nH+]c2ccccc12 ZINC000301916053 1026994346 /nfs/dbraw/zinc/99/43/46/1026994346.db2.gz VSNOZZGWECMSEI-ZDUSSCGKSA-N 1 2 349.221 3.664 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)CC1CCOCC1 ZINC000301950785 1027004814 /nfs/dbraw/zinc/00/48/14/1027004814.db2.gz IWTAILVYSMTGSA-UHFFFAOYSA-N 1 2 342.439 3.583 20 0 EHADLO CCOc1cc(CNc2nc(C)[nH+]c3c2CCCC3)ccc1OC ZINC000302030036 1027029148 /nfs/dbraw/zinc/02/91/48/1027029148.db2.gz BMLWTNMACHOJQE-UHFFFAOYSA-N 1 2 327.428 3.683 20 0 EHADLO COc1ccc(OC(F)F)c(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000302091119 1027049748 /nfs/dbraw/zinc/04/97/48/1027049748.db2.gz MFCXLPDGRAPLPL-UHFFFAOYSA-N 1 2 349.381 3.886 20 0 EHADLO Cc1nc(NC[C@@H](C)c2nc(-c3ccccc3)no2)c2c([nH+]1)CCCC2 ZINC000302099722 1027051910 /nfs/dbraw/zinc/05/19/10/1027051910.db2.gz PKSBPMUZDDVCSR-CYBMUJFWSA-N 1 2 349.438 3.929 20 0 EHADLO Cc1nc(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302096455 1027052615 /nfs/dbraw/zinc/05/26/15/1027052615.db2.gz OHLBSWQQXCBPGY-ZWKOTPCHSA-N 1 2 345.393 3.884 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c2c([nH+]1)CCCC2 ZINC000302101000 1027054134 /nfs/dbraw/zinc/05/41/34/1027054134.db2.gz PVBRTDLPJJLCNB-SJKOYZFVSA-N 1 2 329.469 3.692 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000272734734 1027090231 /nfs/dbraw/zinc/09/02/31/1027090231.db2.gz LXVGLLICWINXLG-SJLPKXTDSA-N 1 2 348.487 3.507 20 0 EHADLO CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000272766675 1027103317 /nfs/dbraw/zinc/10/33/17/1027103317.db2.gz QBAVZIVOFRTXEH-MAUKXSAKSA-N 1 2 327.428 3.652 20 0 EHADLO CCC(CC)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000075197819 1027109390 /nfs/dbraw/zinc/10/93/90/1027109390.db2.gz ONESWVBMGJMNIG-INIZCTEOSA-N 1 2 325.456 3.874 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000125679065 1027109855 /nfs/dbraw/zinc/10/98/55/1027109855.db2.gz UYERCXKLZMVFES-OAQYLSRUSA-N 1 2 333.435 3.754 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532438 1027145811 /nfs/dbraw/zinc/14/58/11/1027145811.db2.gz UGBPHBFHIJCROG-QGZVFWFLSA-N 1 2 348.450 3.744 20 0 EHADLO c1nc(C[NH2+]Cc2cccc3c2OCCCO3)c(-c2ccccc2)o1 ZINC000531662405 1027170601 /nfs/dbraw/zinc/17/06/01/1027170601.db2.gz UJJQBWCCPYBHMZ-UHFFFAOYSA-N 1 2 336.391 3.793 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000501274064 1027172123 /nfs/dbraw/zinc/17/21/23/1027172123.db2.gz QKPOABLIGJCMGQ-UHFFFAOYSA-N 1 2 349.478 3.881 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H](C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000272932780 1027182710 /nfs/dbraw/zinc/18/27/10/1027182710.db2.gz IPDIZFQGIJBQFU-DLBZAZTESA-N 1 2 338.451 3.822 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c(C)[nH+]1 ZINC000123355148 1027186020 /nfs/dbraw/zinc/18/60/20/1027186020.db2.gz GMLIDGILOVVPAP-GTNSWQLSSA-N 1 2 337.423 3.854 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000126337535 1027191628 /nfs/dbraw/zinc/19/16/28/1027191628.db2.gz NJVPEKYTXGUAPW-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO CCC1(O)CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000075858414 1027195774 /nfs/dbraw/zinc/19/57/74/1027195774.db2.gz KBPYFYIBQFSUHW-ZDUSSCGKSA-N 1 2 349.862 3.612 20 0 EHADLO Cc1cc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000302569482 1027200187 /nfs/dbraw/zinc/20/01/87/1027200187.db2.gz PXFXQUKWJYZWFV-ZDUSSCGKSA-N 1 2 344.425 3.983 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1ccc(O)cc1 ZINC000302594416 1027207518 /nfs/dbraw/zinc/20/75/18/1027207518.db2.gz AUDFQPXNZKBCTF-UHFFFAOYSA-N 1 2 336.391 3.754 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)[C@@H](C)c1nc(COC)no1 ZINC000272980873 1027208559 /nfs/dbraw/zinc/20/85/59/1027208559.db2.gz DAWYOTDJJUIINN-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C)c1nc(COC)no1 ZINC000272980873 1027208565 /nfs/dbraw/zinc/20/85/65/1027208565.db2.gz DAWYOTDJJUIINN-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000075964979 1027217036 /nfs/dbraw/zinc/21/70/36/1027217036.db2.gz LFKIRIHEVBZFOO-ZDUSSCGKSA-N 1 2 335.498 3.551 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000075964979 1027217047 /nfs/dbraw/zinc/21/70/47/1027217047.db2.gz LFKIRIHEVBZFOO-ZDUSSCGKSA-N 1 2 335.498 3.551 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000014193861 1027230777 /nfs/dbraw/zinc/23/07/77/1027230777.db2.gz IGHFUYQEUYRSLG-JTQLQIEISA-N 1 2 345.668 3.915 20 0 EHADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000014193861 1027230793 /nfs/dbraw/zinc/23/07/93/1027230793.db2.gz IGHFUYQEUYRSLG-JTQLQIEISA-N 1 2 345.668 3.915 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)s1 ZINC000076073118 1027234730 /nfs/dbraw/zinc/23/47/30/1027234730.db2.gz UTMQDQGELVQTGT-QWRGUYRKSA-N 1 2 338.864 3.775 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000531713746 1027240073 /nfs/dbraw/zinc/24/00/73/1027240073.db2.gz OGRXZUUCHRECNU-UKRRQHHQSA-N 1 2 334.261 3.673 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3C(C)(C)C)cn2c1 ZINC000513714438 1027270421 /nfs/dbraw/zinc/27/04/21/1027270421.db2.gz CGDSJUSDLQNUAF-INIZCTEOSA-N 1 2 345.512 3.913 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127134357 1027275927 /nfs/dbraw/zinc/27/59/27/1027275927.db2.gz OTONKDDIBSABHR-OAHLLOKOSA-N 1 2 331.803 3.729 20 0 EHADLO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000127194268 1027280881 /nfs/dbraw/zinc/28/08/81/1027280881.db2.gz AGJILNPRHGTSOE-INIZCTEOSA-N 1 2 348.397 3.612 20 0 EHADLO COc1ccc2cc(CNc3cc(N4CCCC4)nc[nH+]3)ccc2c1 ZINC000302778547 1027285307 /nfs/dbraw/zinc/28/53/07/1027285307.db2.gz HBIBYRXRMSVSCH-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO COc1ccc2cc(CNc3cc(N4CCCC4)[nH+]cn3)ccc2c1 ZINC000302778547 1027285313 /nfs/dbraw/zinc/28/53/13/1027285313.db2.gz HBIBYRXRMSVSCH-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)s1 ZINC000302777954 1027286297 /nfs/dbraw/zinc/28/62/97/1027286297.db2.gz GNRANBRUCSEQMB-CYBMUJFWSA-N 1 2 334.464 3.684 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000302779252 1027286341 /nfs/dbraw/zinc/28/63/41/1027286341.db2.gz HPHIRDCZLFGQSH-CYBMUJFWSA-N 1 2 348.491 3.858 20 0 EHADLO CCc1ncc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000414436859 1027290207 /nfs/dbraw/zinc/29/02/07/1027290207.db2.gz SMPUGHMZXMSQBD-BBWFWOEESA-N 1 2 345.487 3.514 20 0 EHADLO CCc1ncc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000414436859 1027290216 /nfs/dbraw/zinc/29/02/16/1027290216.db2.gz SMPUGHMZXMSQBD-BBWFWOEESA-N 1 2 345.487 3.514 20 0 EHADLO COc1cc(CN(c2cc(C)[nH+]c(C(C)C)n2)C2CC2)ccc1O ZINC000302798930 1027297103 /nfs/dbraw/zinc/29/71/03/1027297103.db2.gz BHYPAVZZCRSFNY-UHFFFAOYSA-N 1 2 327.428 3.792 20 0 EHADLO CCCOc1cccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000127327897 1027298722 /nfs/dbraw/zinc/29/87/22/1027298722.db2.gz BAKUVTMREDVHRL-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO CC[C@H](C)Oc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC000302831292 1027313791 /nfs/dbraw/zinc/31/37/91/1027313791.db2.gz QRBPERVTGYSUFU-HNNXBMFYSA-N 1 2 341.459 3.651 20 0 EHADLO CC[C@H](C)Oc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC000302831292 1027313813 /nfs/dbraw/zinc/31/38/13/1027313813.db2.gz QRBPERVTGYSUFU-HNNXBMFYSA-N 1 2 341.459 3.651 20 0 EHADLO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835654 1027319319 /nfs/dbraw/zinc/31/93/19/1027319319.db2.gz VUEDRPBXYQFRBQ-SJLPKXTDSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835654 1027319343 /nfs/dbraw/zinc/31/93/43/1027319343.db2.gz VUEDRPBXYQFRBQ-SJLPKXTDSA-N 1 2 347.821 3.934 20 0 EHADLO Cc1cc(C)c(CNc2cc(N3CCSCC3)nc[nH+]2)c(C)c1 ZINC000302873037 1027336468 /nfs/dbraw/zinc/33/64/68/1027336468.db2.gz CGWOHCSQXWCPCJ-UHFFFAOYSA-N 1 2 328.485 3.567 20 0 EHADLO Cc1cc(C)c(CNc2cc(N3CCSCC3)[nH+]cn2)c(C)c1 ZINC000302873037 1027336481 /nfs/dbraw/zinc/33/64/81/1027336481.db2.gz CGWOHCSQXWCPCJ-UHFFFAOYSA-N 1 2 328.485 3.567 20 0 EHADLO CC(C)CCOCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453083365 1027339568 /nfs/dbraw/zinc/33/95/68/1027339568.db2.gz IKLFJGYZZUTKCV-KRWDZBQOSA-N 1 2 335.879 3.815 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@@H](C)C1 ZINC000248567721 1027341067 /nfs/dbraw/zinc/34/10/67/1027341067.db2.gz NRFNBUAKFAVQFG-KBPBESRZSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@@H](C)C1 ZINC000248567721 1027341084 /nfs/dbraw/zinc/34/10/84/1027341084.db2.gz NRFNBUAKFAVQFG-KBPBESRZSA-N 1 2 344.484 3.658 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1nc(C(F)(F)F)cs1 ZINC000273329646 1027377310 /nfs/dbraw/zinc/37/73/10/1027377310.db2.gz UGXJCBMZEQYBIX-SNVBAGLBSA-N 1 2 331.363 3.806 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ncc(-c2ccccc2)n1C ZINC000453138239 1027444345 /nfs/dbraw/zinc/44/43/45/1027444345.db2.gz HGMJVYVTOGWBHY-KSSFIOAISA-N 1 2 339.414 3.610 20 0 EHADLO Clc1ccc(-c2nc(C[NH2+][C@H]3CCc4cn[nH]c4C3)cs2)cc1 ZINC000531818519 1027462053 /nfs/dbraw/zinc/46/20/53/1027462053.db2.gz YANYUDOTNQFGSD-AWEZNQCLSA-N 1 2 344.871 3.834 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(Br)c2C)s1 ZINC000273627358 1027526170 /nfs/dbraw/zinc/52/61/70/1027526170.db2.gz RSNOOEQMPPXEMP-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(Br)c1 ZINC000501791898 1027535912 /nfs/dbraw/zinc/53/59/12/1027535912.db2.gz HRTXYKIQMSWZDY-OLZOCXBDSA-N 1 2 339.277 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(Br)c1 ZINC000501791898 1027535925 /nfs/dbraw/zinc/53/59/25/1027535925.db2.gz HRTXYKIQMSWZDY-OLZOCXBDSA-N 1 2 339.277 3.674 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000129458357 1027560411 /nfs/dbraw/zinc/56/04/11/1027560411.db2.gz HVNFVYMYRHXRCX-HXUWFJFHSA-N 1 2 343.398 3.633 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000129458357 1027560419 /nfs/dbraw/zinc/56/04/19/1027560419.db2.gz HVNFVYMYRHXRCX-HXUWFJFHSA-N 1 2 343.398 3.633 20 0 EHADLO CCOCc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129608317 1027582651 /nfs/dbraw/zinc/58/26/51/1027582651.db2.gz YXOUHEIVQHHABC-CRAIPNDOSA-N 1 2 342.443 3.535 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000151948802 1027637008 /nfs/dbraw/zinc/63/70/08/1027637008.db2.gz NRYPBNHERUYBJV-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1cc(CNC(=O)N2CC3(CCC3)c3c2cccc3F)cc(C)[nH+]1 ZINC000422196828 1027641287 /nfs/dbraw/zinc/64/12/87/1027641287.db2.gz ALKDQKKSYOWMMH-UHFFFAOYSA-N 1 2 339.414 3.989 20 0 EHADLO O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342851916 1027644481 /nfs/dbraw/zinc/64/44/81/1027644481.db2.gz LFTXRRCSWDISSK-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130230036 1027650984 /nfs/dbraw/zinc/65/09/84/1027650984.db2.gz PCHQGYBPLWYWOT-SECBINFHSA-N 1 2 343.736 3.756 20 0 EHADLO CCCC[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000282006751 1027669995 /nfs/dbraw/zinc/66/99/95/1027669995.db2.gz UTTIVQDOIUAZQC-KRWDZBQOSA-N 1 2 331.504 3.973 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000422253754 1027674132 /nfs/dbraw/zinc/67/41/32/1027674132.db2.gz DXDDMZJPRUCDIU-OAHLLOKOSA-N 1 2 348.397 3.695 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000342856616 1027682303 /nfs/dbraw/zinc/68/23/03/1027682303.db2.gz GCHDSYYSORURQQ-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccnc(OC)c1 ZINC000342856616 1027682308 /nfs/dbraw/zinc/68/23/08/1027682308.db2.gz GCHDSYYSORURQQ-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO Clc1ccc(-c2cnc(SCCC[NH+]3CCOCC3)o2)cc1 ZINC000503275906 1027699115 /nfs/dbraw/zinc/69/91/15/1027699115.db2.gz MOAFZRICYYHUQJ-UHFFFAOYSA-N 1 2 338.860 3.809 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C1CCC1 ZINC000130782826 1027705643 /nfs/dbraw/zinc/70/56/43/1027705643.db2.gz LEHSLGZZCPLWQR-MRXNPFEDSA-N 1 2 344.503 3.518 20 0 EHADLO O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342861325 1027706413 /nfs/dbraw/zinc/70/64/13/1027706413.db2.gz WYJRYOJBPCIYEP-UHFFFAOYSA-N 1 2 349.438 3.971 20 0 EHADLO COc1ccc(C)cc1[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420777606 1027722827 /nfs/dbraw/zinc/72/28/27/1027722827.db2.gz XTVVVHQTZYXHIW-HNNXBMFYSA-N 1 2 327.428 3.576 20 0 EHADLO Cc1c[nH]c(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)n1 ZINC000657642247 1027762270 /nfs/dbraw/zinc/76/22/70/1027762270.db2.gz XOVISPRRHRFWRA-CYBMUJFWSA-N 1 2 338.274 3.558 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000513786846 1027767844 /nfs/dbraw/zinc/76/78/44/1027767844.db2.gz OIKBSOWVDJNIGP-OAHLLOKOSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000513786846 1027767861 /nfs/dbraw/zinc/76/78/61/1027767861.db2.gz OIKBSOWVDJNIGP-OAHLLOKOSA-N 1 2 345.361 3.545 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc(C)[nH+]1 ZINC000420840758 1027782365 /nfs/dbraw/zinc/78/23/65/1027782365.db2.gz BHXKQVHNNRJWKP-XLIONFOSSA-N 1 2 337.467 3.861 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc(C)[nH+]1 ZINC000420840759 1027783046 /nfs/dbraw/zinc/78/30/46/1027783046.db2.gz BHXKQVHNNRJWKP-YLJYHZDGSA-N 1 2 337.467 3.861 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H](C)c2c(F)cccc2F)cc(C)[nH+]1 ZINC000420841707 1027783199 /nfs/dbraw/zinc/78/31/99/1027783199.db2.gz CSVNVDAFVVJWSX-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO CSc1ccccc1CN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420841143 1027783975 /nfs/dbraw/zinc/78/39/75/1027783975.db2.gz BTDIUSLJIQBARE-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2cc(Cl)ccc2F)cc(C)[nH+]1 ZINC000420840651 1027784104 /nfs/dbraw/zinc/78/41/04/1027784104.db2.gz AVOQORZJWZCRKF-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1Oc1cccnc1 ZINC000131504813 1027786222 /nfs/dbraw/zinc/78/62/22/1027786222.db2.gz JVPBRUNKRJNIJV-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)cc(C)[nH+]1 ZINC000420853363 1027796794 /nfs/dbraw/zinc/79/67/94/1027796794.db2.gz UEWANKXOVDAYIE-SFHVURJKSA-N 1 2 327.403 3.884 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000420852840 1027798023 /nfs/dbraw/zinc/79/80/23/1027798023.db2.gz SUQNFVRXIGHIFQ-ZDUSSCGKSA-N 1 2 332.473 3.674 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000131674048 1027807992 /nfs/dbraw/zinc/80/79/92/1027807992.db2.gz VKZJYONKVFVYFL-GOSISDBHSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000131674048 1027808007 /nfs/dbraw/zinc/80/80/07/1027808007.db2.gz VKZJYONKVFVYFL-GOSISDBHSA-N 1 2 327.815 3.790 20 0 EHADLO COc1ccc(C[N@H+](Cc2nn(C)cc2Cl)[C@H](C)C2CC2)cc1 ZINC000420902377 1027841205 /nfs/dbraw/zinc/84/12/05/1027841205.db2.gz MRTHYTHZJMWISH-CYBMUJFWSA-N 1 2 333.863 3.883 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nn(C)cc2Cl)[C@H](C)C2CC2)cc1 ZINC000420902377 1027841230 /nfs/dbraw/zinc/84/12/30/1027841230.db2.gz MRTHYTHZJMWISH-CYBMUJFWSA-N 1 2 333.863 3.883 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000359928810 1027879178 /nfs/dbraw/zinc/87/91/78/1027879178.db2.gz ZYCATDOPUUKSGW-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000359928810 1027879198 /nfs/dbraw/zinc/87/91/98/1027879198.db2.gz ZYCATDOPUUKSGW-GXTWGEPZSA-N 1 2 348.368 3.920 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(OC)ccc1OCOC)c1nccs1 ZINC000120020696 1027880837 /nfs/dbraw/zinc/88/08/37/1027880837.db2.gz RDBUPVPUJQHEOX-QGZVFWFLSA-N 1 2 336.457 3.549 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000132354700 1027913524 /nfs/dbraw/zinc/91/35/24/1027913524.db2.gz KENSNCRNYGVHHM-UHFFFAOYSA-N 1 2 344.358 3.624 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C2(CCC2)C1 ZINC000420997516 1027978128 /nfs/dbraw/zinc/97/81/28/1027978128.db2.gz SAXLQGCZVXRXJP-ZDUSSCGKSA-N 1 2 340.254 3.521 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C2(CCC2)C1 ZINC000420997516 1027978136 /nfs/dbraw/zinc/97/81/36/1027978136.db2.gz SAXLQGCZVXRXJP-ZDUSSCGKSA-N 1 2 340.254 3.521 20 0 EHADLO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@H]1CCCCO1 ZINC000050961239 1027978901 /nfs/dbraw/zinc/97/89/01/1027978901.db2.gz CSVJRULAILNSJW-QGZVFWFLSA-N 1 2 343.446 3.501 20 0 EHADLO C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@H]1CCCCO1 ZINC000050961239 1027978916 /nfs/dbraw/zinc/97/89/16/1027978916.db2.gz CSVJRULAILNSJW-QGZVFWFLSA-N 1 2 343.446 3.501 20 0 EHADLO O=C(COc1cc[nH+]cc1)NCCC(c1ccccc1)c1ccccc1 ZINC000431498858 1028005199 /nfs/dbraw/zinc/00/51/99/1028005199.db2.gz YOFCGLWHWMLVPK-UHFFFAOYSA-N 1 2 346.430 3.799 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](c3ccncc3)C2)c1 ZINC000582847286 1028010782 /nfs/dbraw/zinc/01/07/82/1028010782.db2.gz IRMGNWDXOZJHJG-SFHVURJKSA-N 1 2 346.434 3.596 20 0 EHADLO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000503663315 1028019746 /nfs/dbraw/zinc/01/97/46/1028019746.db2.gz NGPNTBRMVIDIJJ-NSHDSACASA-N 1 2 331.243 3.902 20 0 EHADLO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000503663315 1028019764 /nfs/dbraw/zinc/01/97/64/1028019764.db2.gz NGPNTBRMVIDIJJ-NSHDSACASA-N 1 2 331.243 3.902 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000367150597 1028023833 /nfs/dbraw/zinc/02/38/33/1028023833.db2.gz HNBQKQUKIQXHDQ-QGZVFWFLSA-N 1 2 347.846 3.506 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000367150597 1028023849 /nfs/dbraw/zinc/02/38/49/1028023849.db2.gz HNBQKQUKIQXHDQ-QGZVFWFLSA-N 1 2 347.846 3.506 20 0 EHADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001167628898 1028024647 /nfs/dbraw/zinc/02/46/47/1028024647.db2.gz GYLJNGLTQZPHCU-WCQYABFASA-N 1 2 328.239 3.551 20 0 EHADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001167628898 1028024649 /nfs/dbraw/zinc/02/46/49/1028024649.db2.gz GYLJNGLTQZPHCU-WCQYABFASA-N 1 2 328.239 3.551 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)cc1F ZINC000133403961 1028028143 /nfs/dbraw/zinc/02/81/43/1028028143.db2.gz CHFMYUCVNQLRFL-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccccc2OCC2CC2)cc(C)[nH+]1 ZINC000421066553 1028049479 /nfs/dbraw/zinc/04/94/79/1028049479.db2.gz QZGBNHLBJDNRBC-UHFFFAOYSA-N 1 2 325.412 3.809 20 0 EHADLO Clc1cnn(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000459369427 1028053937 /nfs/dbraw/zinc/05/39/37/1028053937.db2.gz QAUQWIUQSLLZSE-OAHLLOKOSA-N 1 2 330.819 3.905 20 0 EHADLO Clc1cnn(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000459369427 1028053955 /nfs/dbraw/zinc/05/39/55/1028053955.db2.gz QAUQWIUQSLLZSE-OAHLLOKOSA-N 1 2 330.819 3.905 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421075329 1028059738 /nfs/dbraw/zinc/05/97/38/1028059738.db2.gz ZCIAMBLESWROLP-UHFFFAOYSA-N 1 2 329.448 3.715 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000533548327 1028064238 /nfs/dbraw/zinc/06/42/38/1028064238.db2.gz FGLJZRBPRKXLQW-PBHICJAKSA-N 1 2 331.485 3.801 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(COC(C)C)cc2)cc(C)[nH+]1 ZINC000421088149 1028073415 /nfs/dbraw/zinc/07/34/15/1028073415.db2.gz RLKMEMXZASGXGV-UHFFFAOYSA-N 1 2 327.428 3.945 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000422945846 1028081526 /nfs/dbraw/zinc/08/15/26/1028081526.db2.gz VLGWURRVXALKFH-AWEZNQCLSA-N 1 2 344.814 3.728 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000134377702 1028116959 /nfs/dbraw/zinc/11/69/59/1028116959.db2.gz MKRDGKUUJHFFCR-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO Brc1ccc(-c2noc(COc3cc[nH+]cc3)n2)s1 ZINC000431503562 1028138794 /nfs/dbraw/zinc/13/87/94/1028138794.db2.gz BKGDIZYTNRIBGY-UHFFFAOYSA-N 1 2 338.186 3.535 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(Br)cc1 ZINC000353721545 1028156467 /nfs/dbraw/zinc/15/64/67/1028156467.db2.gz QMHAVAZPMHKDRE-KRWDZBQOSA-N 1 2 332.241 3.541 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Br)cc1 ZINC000353721545 1028156478 /nfs/dbraw/zinc/15/64/78/1028156478.db2.gz QMHAVAZPMHKDRE-KRWDZBQOSA-N 1 2 332.241 3.541 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)o1 ZINC000444690048 1028163738 /nfs/dbraw/zinc/16/37/38/1028163738.db2.gz IHXJSNVFVCGFLI-CYBMUJFWSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)o1 ZINC000444690048 1028163749 /nfs/dbraw/zinc/16/37/49/1028163749.db2.gz IHXJSNVFVCGFLI-CYBMUJFWSA-N 1 2 339.361 3.743 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444694000 1028165622 /nfs/dbraw/zinc/16/56/22/1028165622.db2.gz IUMCZEMHQMUYCT-OCCSQVGLSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444694000 1028165631 /nfs/dbraw/zinc/16/56/31/1028165631.db2.gz IUMCZEMHQMUYCT-OCCSQVGLSA-N 1 2 339.361 3.996 20 0 EHADLO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444694387 1028168634 /nfs/dbraw/zinc/16/86/34/1028168634.db2.gz QGBFNBBOUQIPHQ-IBGZPJMESA-N 1 2 344.405 3.590 20 0 EHADLO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444694387 1028168645 /nfs/dbraw/zinc/16/86/45/1028168645.db2.gz QGBFNBBOUQIPHQ-IBGZPJMESA-N 1 2 344.405 3.590 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697089 1028169780 /nfs/dbraw/zinc/16/97/80/1028169780.db2.gz PYLJNELKSIGOCF-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697089 1028169788 /nfs/dbraw/zinc/16/97/88/1028169788.db2.gz PYLJNELKSIGOCF-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccc(F)cc1Br ZINC000444697442 1028172227 /nfs/dbraw/zinc/17/22/27/1028172227.db2.gz KISXLAIENUVQTC-OAHLLOKOSA-N 1 2 346.240 3.563 20 0 EHADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccc(F)cc1Br ZINC000444697442 1028172236 /nfs/dbraw/zinc/17/22/36/1028172236.db2.gz KISXLAIENUVQTC-OAHLLOKOSA-N 1 2 346.240 3.563 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000455440245 1028179144 /nfs/dbraw/zinc/17/91/44/1028179144.db2.gz SRTAIFMFNYDWPS-HNNXBMFYSA-N 1 2 327.432 3.583 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708387 1028186628 /nfs/dbraw/zinc/18/66/28/1028186628.db2.gz QNKWJKSYOSEDEO-CQSZACIVSA-N 1 2 336.426 3.792 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708387 1028186639 /nfs/dbraw/zinc/18/66/39/1028186639.db2.gz QNKWJKSYOSEDEO-CQSZACIVSA-N 1 2 336.426 3.792 20 0 EHADLO C[N@H+](Cc1cncn1Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444708999 1028186808 /nfs/dbraw/zinc/18/68/08/1028186808.db2.gz SNFUMMHJCBIYQZ-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO C[N@@H+](Cc1cncn1Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444708999 1028186813 /nfs/dbraw/zinc/18/68/13/1028186813.db2.gz SNFUMMHJCBIYQZ-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)NCCCNc2cccc[nH+]2)s1 ZINC000135443699 1028193484 /nfs/dbraw/zinc/19/34/84/1028193484.db2.gz PDWQLENWBZLAEO-UHFFFAOYSA-N 1 2 347.488 3.669 20 0 EHADLO CC(C)CN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000548779057 1028199080 /nfs/dbraw/zinc/19/90/80/1028199080.db2.gz XCVSCRUZMXPBPK-UHFFFAOYSA-N 1 2 341.459 3.759 20 0 EHADLO COC1(CCSCc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000421215344 1028199837 /nfs/dbraw/zinc/19/98/37/1028199837.db2.gz DJNNBFLYILLCRJ-UHFFFAOYSA-N 1 2 335.513 3.711 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135562638 1028203747 /nfs/dbraw/zinc/20/37/47/1028203747.db2.gz LXYMTJLQEQVDSR-HOTGVXAUSA-N 1 2 338.542 3.897 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135562638 1028203762 /nfs/dbraw/zinc/20/37/62/1028203762.db2.gz LXYMTJLQEQVDSR-HOTGVXAUSA-N 1 2 338.542 3.897 20 0 EHADLO COCCN(Cc1cccs1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479803 1028216757 /nfs/dbraw/zinc/21/67/57/1028216757.db2.gz NVUDINRMWFKESI-UHFFFAOYSA-N 1 2 333.457 3.749 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H](c2cccnc2)C(C)C)c(C)[nH+]1 ZINC000455495400 1028227190 /nfs/dbraw/zinc/22/71/90/1028227190.db2.gz OAUKQDRKMZXKRP-QGZVFWFLSA-N 1 2 326.444 3.963 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000455494087 1028228155 /nfs/dbraw/zinc/22/81/55/1028228155.db2.gz MQNFDESZNNKMGB-IEBWSBKVSA-N 1 2 339.439 3.906 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)c(C)[nH+]1 ZINC000455497043 1028231337 /nfs/dbraw/zinc/23/13/37/1028231337.db2.gz POFFAMXLPRAYOL-UHFFFAOYSA-N 1 2 347.850 3.726 20 0 EHADLO COc1cc(C)nc(C[NH2+]Cc2cc(C)ccc2Br)c1 ZINC000414509963 1028247092 /nfs/dbraw/zinc/24/70/92/1028247092.db2.gz CWTRIRWIUHGDQJ-UHFFFAOYSA-N 1 2 335.245 3.759 20 0 EHADLO COc1cc2c(cc1F)CN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC000455484532 1028252156 /nfs/dbraw/zinc/25/21/56/1028252156.db2.gz JOQJXTRFDVXPMX-UHFFFAOYSA-N 1 2 343.402 3.745 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)COc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000431505005 1028255227 /nfs/dbraw/zinc/25/52/27/1028255227.db2.gz AQBFVXODRMNDLG-QGZVFWFLSA-N 1 2 330.403 3.893 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)s1 ZINC000136591029 1028258393 /nfs/dbraw/zinc/25/83/93/1028258393.db2.gz CTJQNZFUSASOLQ-NSHDSACASA-N 1 2 338.502 3.574 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)s1 ZINC000136591029 1028258408 /nfs/dbraw/zinc/25/84/08/1028258408.db2.gz CTJQNZFUSASOLQ-NSHDSACASA-N 1 2 338.502 3.574 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)nn1C ZINC000421323048 1028265519 /nfs/dbraw/zinc/26/55/19/1028265519.db2.gz FVELUMGUKZRPGN-SFHVURJKSA-N 1 2 349.862 3.640 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC(F)(c3cccnc3)CC2)c(C)[nH+]1 ZINC000455530946 1028303663 /nfs/dbraw/zinc/30/36/63/1028303663.db2.gz RSORKEOEZOBCDO-UHFFFAOYSA-N 1 2 342.418 3.895 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287705 1028305002 /nfs/dbraw/zinc/30/50/02/1028305002.db2.gz XPBLXISMWMXXEM-SFHVURJKSA-N 1 2 344.503 3.661 20 0 EHADLO c1ncn2c1C[N@H+](Cc1cnn(C3CCCC3)c1-c1ccccc1)CC2 ZINC000421359663 1028307782 /nfs/dbraw/zinc/30/77/82/1028307782.db2.gz XILJGWZCAUSNRT-UHFFFAOYSA-N 1 2 347.466 3.878 20 0 EHADLO c1ncn2c1C[N@@H+](Cc1cnn(C3CCCC3)c1-c1ccccc1)CC2 ZINC000421359663 1028307798 /nfs/dbraw/zinc/30/77/98/1028307798.db2.gz XILJGWZCAUSNRT-UHFFFAOYSA-N 1 2 347.466 3.878 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1C ZINC000342946610 1028321641 /nfs/dbraw/zinc/32/16/41/1028321641.db2.gz MCIYDUYSCVMOAO-ZDUSSCGKSA-N 1 2 348.468 3.745 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1C ZINC000342946610 1028321655 /nfs/dbraw/zinc/32/16/55/1028321655.db2.gz MCIYDUYSCVMOAO-ZDUSSCGKSA-N 1 2 348.468 3.745 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000548780118 1028341054 /nfs/dbraw/zinc/34/10/54/1028341054.db2.gz ZZDLTQPOVDYKQO-LJQANCHMSA-N 1 2 341.459 3.761 20 0 EHADLO CC(C)C(=O)N1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000161882258 1028341910 /nfs/dbraw/zinc/34/19/10/1028341910.db2.gz JIPINTHSAUPWIY-UHFFFAOYSA-N 1 2 332.492 3.782 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000523450119 1028343621 /nfs/dbraw/zinc/34/36/21/1028343621.db2.gz IOCBAHYBSUIDTP-GFCCVEGCSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000523450119 1028343635 /nfs/dbraw/zinc/34/36/35/1028343635.db2.gz IOCBAHYBSUIDTP-GFCCVEGCSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862335 1028344621 /nfs/dbraw/zinc/34/46/21/1028344621.db2.gz XSSVYWPCPTVNBJ-QGZVFWFLSA-N 1 2 348.450 3.693 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000067133005 1028356959 /nfs/dbraw/zinc/35/69/59/1028356959.db2.gz ROECVKXCRLYBNQ-JXFKEZNVSA-N 1 2 334.419 3.664 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475615872 1028378619 /nfs/dbraw/zinc/37/86/19/1028378619.db2.gz MALSZDVRVWIWNH-FZMZJTMJSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475615872 1028378636 /nfs/dbraw/zinc/37/86/36/1028378636.db2.gz MALSZDVRVWIWNH-FZMZJTMJSA-N 1 2 335.391 3.537 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000141375322 1028421646 /nfs/dbraw/zinc/42/16/46/1028421646.db2.gz JDDBOKXQYQHRCO-HZPDHXFCSA-N 1 2 334.508 3.599 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cs1 ZINC000162101227 1028445507 /nfs/dbraw/zinc/44/55/07/1028445507.db2.gz MYHZUJPRLDNZRL-OCCSQVGLSA-N 1 2 347.459 3.691 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000523610170 1028466346 /nfs/dbraw/zinc/46/63/46/1028466346.db2.gz CXUYHHXSBVBNPV-SJLPKXTDSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000523610170 1028466356 /nfs/dbraw/zinc/46/63/56/1028466356.db2.gz CXUYHHXSBVBNPV-SJLPKXTDSA-N 1 2 340.467 3.692 20 0 EHADLO COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1C1CC1 ZINC000278006787 1028467839 /nfs/dbraw/zinc/46/78/39/1028467839.db2.gz PPNLTKRYUKQQGA-UHFFFAOYSA-N 1 2 339.439 3.590 20 0 EHADLO Cn1c[nH+]cc1CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000343381853 1028470982 /nfs/dbraw/zinc/47/09/82/1028470982.db2.gz DURDSMNEHBUTLC-GFCCVEGCSA-N 1 2 337.267 3.832 20 0 EHADLO Cc1c(C[N@H+](C)Cc2c(Cl)cccc2N2CCCC2)cnn1C ZINC000583004800 1028508225 /nfs/dbraw/zinc/50/82/25/1028508225.db2.gz WYZIVVAWPFYWFF-UHFFFAOYSA-N 1 2 332.879 3.614 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)cnn1C ZINC000583004800 1028508229 /nfs/dbraw/zinc/50/82/29/1028508229.db2.gz WYZIVVAWPFYWFF-UHFFFAOYSA-N 1 2 332.879 3.614 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000523720151 1028561142 /nfs/dbraw/zinc/56/11/42/1028561142.db2.gz WNGJYAUKVGEGKJ-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000073635626 1028564292 /nfs/dbraw/zinc/56/42/92/1028564292.db2.gz IXYOZFQCFWKEGJ-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575210 1028570701 /nfs/dbraw/zinc/57/07/01/1028570701.db2.gz JETMNWRRCVCTRF-SFHVURJKSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(C[NH+](CCCc2ccccc2)Cc2cc(C)no2)on1 ZINC000073804834 1028581660 /nfs/dbraw/zinc/58/16/60/1028581660.db2.gz PSEYTFJWIJXVBG-UHFFFAOYSA-N 1 2 325.412 3.914 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000523790569 1028605931 /nfs/dbraw/zinc/60/59/31/1028605931.db2.gz QCAUQQXEPKZIEP-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000523790569 1028605945 /nfs/dbraw/zinc/60/59/45/1028605945.db2.gz QCAUQQXEPKZIEP-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO Cc1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278034167 1028613015 /nfs/dbraw/zinc/61/30/15/1028613015.db2.gz KRUIECDKUHYKLU-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(Cl)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278034167 1028613027 /nfs/dbraw/zinc/61/30/27/1028613027.db2.gz KRUIECDKUHYKLU-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278034163 1028613693 /nfs/dbraw/zinc/61/36/93/1028613693.db2.gz KRUIECDKUHYKLU-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(Cl)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278034163 1028613707 /nfs/dbraw/zinc/61/37/07/1028613707.db2.gz KRUIECDKUHYKLU-DZGCQCFKSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000583035751 1028617332 /nfs/dbraw/zinc/61/73/32/1028617332.db2.gz RUWNHPVILUYHLH-AWEZNQCLSA-N 1 2 328.243 3.547 20 0 EHADLO COc1cc(/C(C#N)=C/c2c[nH+]c3ccc(C)cn23)ccc1[N+](=O)[O-] ZINC000091540185 1028683787 /nfs/dbraw/zinc/68/37/87/1028683787.db2.gz ZOMQXMRXABDTSZ-VGOFMYFVSA-N 1 2 334.335 3.624 20 0 EHADLO C[C@@H](CNC(=O)CSc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000153762252 1028701671 /nfs/dbraw/zinc/70/16/71/1028701671.db2.gz GIUOFQQZNPEXDI-HNNXBMFYSA-N 1 2 339.464 3.581 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454319807 1028736678 /nfs/dbraw/zinc/73/66/78/1028736678.db2.gz BEFRBXAQEACHSZ-HNNXBMFYSA-N 1 2 328.460 3.555 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1SCCc2ccccc21 ZINC000079498738 1028773251 /nfs/dbraw/zinc/77/32/51/1028773251.db2.gz DLQIFCUVTZEESR-SFHVURJKSA-N 1 2 335.432 3.841 20 0 EHADLO COc1cccc([C@H](CN[C@@H](C)c2ccncc2Cl)[NH+](C)C)c1 ZINC000421800029 1028788557 /nfs/dbraw/zinc/78/85/57/1028788557.db2.gz GBXQQNZPHGXORB-UGSOOPFHSA-N 1 2 333.863 3.697 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nc(-c2cccnc2)no1 ZINC000123056427 1028803266 /nfs/dbraw/zinc/80/32/66/1028803266.db2.gz GFMQGJIQAMXQDE-UONOGXRCSA-N 1 2 338.411 3.860 20 0 EHADLO Cc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)n(Cc2ccccc2)n1 ZINC000454351619 1028803911 /nfs/dbraw/zinc/80/39/11/1028803911.db2.gz TXKFSAZWYRPNDE-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000245547997 1028811812 /nfs/dbraw/zinc/81/18/12/1028811812.db2.gz XGUCRNZTYPDOFF-LSDHHAIUSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000245547997 1028811828 /nfs/dbraw/zinc/81/18/28/1028811828.db2.gz XGUCRNZTYPDOFF-LSDHHAIUSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1csnn1 ZINC000414555197 1028851698 /nfs/dbraw/zinc/85/16/98/1028851698.db2.gz WGDGHOGJSSTRHL-QMMMGPOBSA-N 1 2 342.251 3.972 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000123315428 1028879014 /nfs/dbraw/zinc/87/90/14/1028879014.db2.gz QITWRIQDFIVULH-BHIYHBOVSA-N 1 2 325.456 3.732 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)s1 ZINC000424196991 1028883938 /nfs/dbraw/zinc/88/39/38/1028883938.db2.gz HAKFWZMLXZEHTR-GFCCVEGCSA-N 1 2 343.452 3.879 20 0 EHADLO Cc1cc(CNC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421919929 1028936006 /nfs/dbraw/zinc/93/60/06/1028936006.db2.gz NGKSYELLDVSOES-LBPRGKRZSA-N 1 2 344.842 3.877 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)s1 ZINC000424319134 1028965107 /nfs/dbraw/zinc/96/51/07/1028965107.db2.gz DWYRNZUTBKDTKA-VHSXEESVSA-N 1 2 347.465 3.951 20 0 EHADLO CC(C)(c1noc(CCn2cc[nH+]c2)n1)c1ccc(Cl)cc1F ZINC000445592456 1028973438 /nfs/dbraw/zinc/97/34/38/1028973438.db2.gz LWDCRIYLYJRYBJ-UHFFFAOYSA-N 1 2 334.782 3.627 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000245653803 1028977676 /nfs/dbraw/zinc/97/76/76/1028977676.db2.gz CYJOMINRCZZFJX-DLBZAZTESA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000245653803 1028977694 /nfs/dbraw/zinc/97/76/94/1028977694.db2.gz CYJOMINRCZZFJX-DLBZAZTESA-N 1 2 325.456 3.569 20 0 EHADLO Cn1ccc2c1cccc2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000524231131 1028982313 /nfs/dbraw/zinc/98/23/13/1028982313.db2.gz NQFGFXYNRAGQMK-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000123706957 1029003148 /nfs/dbraw/zinc/00/31/48/1029003148.db2.gz KYNJHKSMWCYLIL-ZFWWWQNUSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000123706957 1029003159 /nfs/dbraw/zinc/00/31/59/1029003159.db2.gz KYNJHKSMWCYLIL-ZFWWWQNUSA-N 1 2 342.386 3.698 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)o1 ZINC000532903816 1029019740 /nfs/dbraw/zinc/01/97/40/1029019740.db2.gz PQMUQNJWMBNOPS-LJQANCHMSA-N 1 2 328.456 3.576 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)o1 ZINC000532903816 1029019753 /nfs/dbraw/zinc/01/97/53/1029019753.db2.gz PQMUQNJWMBNOPS-LJQANCHMSA-N 1 2 328.456 3.576 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N(C)c1ccc(F)cc1 ZINC000428413066 1029034763 /nfs/dbraw/zinc/03/47/63/1029034763.db2.gz NSJBVPVTNGNIPM-UHFFFAOYSA-N 1 2 332.423 3.553 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000123807769 1029035500 /nfs/dbraw/zinc/03/55/00/1029035500.db2.gz CHYWKGPEVRBYAB-BMGDILEWSA-N 1 2 329.419 3.626 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)sc1C ZINC000532915789 1029037910 /nfs/dbraw/zinc/03/79/10/1029037910.db2.gz DHPOSMGEZOBDBN-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)sc1C ZINC000532915789 1029037920 /nfs/dbraw/zinc/03/79/20/1029037920.db2.gz DHPOSMGEZOBDBN-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000503097707 1029060576 /nfs/dbraw/zinc/06/05/76/1029060576.db2.gz OTQDNEARVWBCNC-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000154290508 1029085097 /nfs/dbraw/zinc/08/50/97/1029085097.db2.gz RHIPOSVFHBTDFK-MOPGFXCFSA-N 1 2 337.467 3.883 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000077546793 1029124072 /nfs/dbraw/zinc/12/40/72/1029124072.db2.gz AQZFTRKVHDMBDD-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO Cc1cc(N)nc(SCc2coc(-c3ccc(F)c(F)c3)n2)[nH+]1 ZINC000077565641 1029125420 /nfs/dbraw/zinc/12/54/20/1029125420.db2.gz ZDCXPVHVKWFKRO-UHFFFAOYSA-N 1 2 334.351 3.593 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1Cl ZINC000245719394 1029130898 /nfs/dbraw/zinc/13/08/98/1029130898.db2.gz QUTNWFYBOYMGOI-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1Cl ZINC000245719394 1029130908 /nfs/dbraw/zinc/13/09/08/1029130908.db2.gz QUTNWFYBOYMGOI-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1Cl ZINC000245719401 1029131036 /nfs/dbraw/zinc/13/10/36/1029131036.db2.gz QUTNWFYBOYMGOI-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1Cl ZINC000245719401 1029131043 /nfs/dbraw/zinc/13/10/43/1029131043.db2.gz QUTNWFYBOYMGOI-ZIAGYGMSSA-N 1 2 331.847 3.605 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H]1c1ccccc1 ZINC000431525893 1029131309 /nfs/dbraw/zinc/13/13/09/1029131309.db2.gz XABWIOIZQJUYCX-OAQYLSRUSA-N 1 2 345.446 3.838 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000424570987 1029144282 /nfs/dbraw/zinc/14/42/82/1029144282.db2.gz TWNBPILQVITEPY-LEWJYISDSA-N 1 2 345.446 3.660 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3cccc(O)c3)nc(=O)c2c1C ZINC000532988330 1029146024 /nfs/dbraw/zinc/14/60/24/1029146024.db2.gz HQZMCSKPEWUXKJ-NSHDSACASA-N 1 2 343.452 3.912 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3cccc(O)c3)nc(=O)c2c1C ZINC000532988330 1029146039 /nfs/dbraw/zinc/14/60/39/1029146039.db2.gz HQZMCSKPEWUXKJ-NSHDSACASA-N 1 2 343.452 3.912 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H](F)C2)C[C@H](C)O1 ZINC000424606282 1029165659 /nfs/dbraw/zinc/16/56/59/1029165659.db2.gz PUUAWSNKGWXASW-KYHPRHEASA-N 1 2 348.462 3.763 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@@H](F)C2)C[C@H](C)O1 ZINC000424606282 1029165673 /nfs/dbraw/zinc/16/56/73/1029165673.db2.gz PUUAWSNKGWXASW-KYHPRHEASA-N 1 2 348.462 3.763 20 0 EHADLO FC(F)(F)C1=CC[N@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000271813624 1029184941 /nfs/dbraw/zinc/18/49/41/1029184941.db2.gz MLSLPENZRZLNNW-UHFFFAOYSA-N 1 2 327.375 3.968 20 0 EHADLO FC(F)(F)C1=CC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000271813624 1029184953 /nfs/dbraw/zinc/18/49/53/1029184953.db2.gz MLSLPENZRZLNNW-UHFFFAOYSA-N 1 2 327.375 3.968 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CCC(F)(F)F)C1=O ZINC000533032595 1029211670 /nfs/dbraw/zinc/21/16/70/1029211670.db2.gz MCGPVORXORQZGO-AWEZNQCLSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1=O ZINC000533032595 1029211677 /nfs/dbraw/zinc/21/16/77/1029211677.db2.gz MCGPVORXORQZGO-AWEZNQCLSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1ccc(Cc2cnc(NCc3c[nH+]cn3C(C)C)s2)cc1F ZINC000424719417 1029270770 /nfs/dbraw/zinc/27/07/70/1029270770.db2.gz JVRLKANSBYDLSW-UHFFFAOYSA-N 1 2 344.459 3.993 20 0 EHADLO CC(C)c1ccc(OCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000524546780 1029291953 /nfs/dbraw/zinc/29/19/53/1029291953.db2.gz PYNGZEBWJUXQOP-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO CC[C@@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000533084757 1029294628 /nfs/dbraw/zinc/29/46/28/1029294628.db2.gz ZFULIMPAFBBKJZ-MJGOQNOKSA-N 1 2 340.471 3.683 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@H]1C)c1cccc2ccccc21 ZINC000446071568 1029388678 /nfs/dbraw/zinc/38/86/78/1029388678.db2.gz JXDRUDPFHXTIHZ-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@H]1C)c1cccc2ccccc21 ZINC000446071568 1029388693 /nfs/dbraw/zinc/38/86/93/1029388693.db2.gz JXDRUDPFHXTIHZ-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1nccs1 ZINC000078731329 1029433552 /nfs/dbraw/zinc/43/35/52/1029433552.db2.gz SOTRGBORERHPET-UHFFFAOYSA-N 1 2 329.425 3.522 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1nccs1 ZINC000078731329 1029433559 /nfs/dbraw/zinc/43/35/59/1029433559.db2.gz SOTRGBORERHPET-UHFFFAOYSA-N 1 2 329.425 3.522 20 0 EHADLO Cc1sc([C@@H]2COCC[NH2+]2)nc1-c1ccccc1Br ZINC000446148127 1029433784 /nfs/dbraw/zinc/43/37/84/1029433784.db2.gz UAQYCWIDMUFJLB-LBPRGKRZSA-N 1 2 339.258 3.542 20 0 EHADLO Clc1ccc2c(c1)ncnc2NCCCCNc1cccc[nH+]1 ZINC000261394481 1029442763 /nfs/dbraw/zinc/44/27/63/1029442763.db2.gz AEOYVUPSKJILQV-UHFFFAOYSA-N 1 2 327.819 3.982 20 0 EHADLO Brc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)n1 ZINC000272426067 1029455636 /nfs/dbraw/zinc/45/56/36/1029455636.db2.gz PDOFHABNBPCXPR-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO COCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000125223403 1029456447 /nfs/dbraw/zinc/45/64/47/1029456447.db2.gz FMNHGZAMNQXKKY-UHFFFAOYSA-N 1 2 331.391 3.547 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC(F)F)c1 ZINC000505343673 1029472341 /nfs/dbraw/zinc/47/23/41/1029472341.db2.gz LLSAGVGFACQVOY-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000272524477 1029495190 /nfs/dbraw/zinc/49/51/90/1029495190.db2.gz ZTHMMJNRQKTWAO-CQSZACIVSA-N 1 2 344.484 3.715 20 0 EHADLO NC(=O)c1csc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000162216209 1029509182 /nfs/dbraw/zinc/50/91/82/1029509182.db2.gz NREXEMJDEUFBSS-UHFFFAOYSA-N 1 2 326.421 3.642 20 0 EHADLO NC(=O)c1csc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000162216209 1029509191 /nfs/dbraw/zinc/50/91/91/1029509191.db2.gz NREXEMJDEUFBSS-UHFFFAOYSA-N 1 2 326.421 3.642 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000434234544 1029522508 /nfs/dbraw/zinc/52/25/08/1029522508.db2.gz QTVMRTOGMJKPKY-ZDUSSCGKSA-N 1 2 347.459 3.686 20 0 EHADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000434234544 1029522514 /nfs/dbraw/zinc/52/25/14/1029522514.db2.gz QTVMRTOGMJKPKY-ZDUSSCGKSA-N 1 2 347.459 3.686 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccc(OC)cc2Br)s1 ZINC000286732536 1029533450 /nfs/dbraw/zinc/53/34/50/1029533450.db2.gz XTDSWUMBWKZRSS-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO CCSc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454997990 1029538922 /nfs/dbraw/zinc/53/89/22/1029538922.db2.gz KQFHCIUMHMKPEA-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO Cc1cscc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272642261 1029547730 /nfs/dbraw/zinc/54/77/30/1029547730.db2.gz LTTSYBOEWJFXTM-MRXNPFEDSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cscc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272642261 1029547739 /nfs/dbraw/zinc/54/77/39/1029547739.db2.gz LTTSYBOEWJFXTM-MRXNPFEDSA-N 1 2 341.436 3.680 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000272705372 1029573067 /nfs/dbraw/zinc/57/30/67/1029573067.db2.gz WYXFSIARYANQJY-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000272705372 1029573078 /nfs/dbraw/zinc/57/30/78/1029573078.db2.gz WYXFSIARYANQJY-ZDUSSCGKSA-N 1 2 342.226 3.825 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCCC1(C)C ZINC000455102170 1029626164 /nfs/dbraw/zinc/62/61/64/1029626164.db2.gz ZADVEUYPICBNJO-MRXNPFEDSA-N 1 2 334.508 3.693 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000666823780 1029626567 /nfs/dbraw/zinc/62/65/67/1029626567.db2.gz URHWGSONJNZUSN-DUVNUKRYSA-N 1 2 344.846 3.508 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000155714104 1029629721 /nfs/dbraw/zinc/62/97/21/1029629721.db2.gz WBCOZCLFVCJNEP-IEBWSBKVSA-N 1 2 337.467 3.763 20 0 EHADLO Cc1cc(C)n2c(C[NH2+][C@@H](c3ccco3)c3ccccc3)cnc2n1 ZINC000155700916 1029636104 /nfs/dbraw/zinc/63/61/04/1029636104.db2.gz XJHMFSYILYLGMN-LJQANCHMSA-N 1 2 332.407 3.818 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1ccncc1 ZINC000728564277 1029725748 /nfs/dbraw/zinc/72/57/48/1029725748.db2.gz XVKVMDWSPOWBRP-INIZCTEOSA-N 1 2 343.500 3.718 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1ccncc1 ZINC000728564277 1029725755 /nfs/dbraw/zinc/72/57/55/1029725755.db2.gz XVKVMDWSPOWBRP-INIZCTEOSA-N 1 2 343.500 3.718 20 0 EHADLO C[N@H+](Cc1nc(C(F)F)no1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000583377680 1029741900 /nfs/dbraw/zinc/74/19/00/1029741900.db2.gz YXEVUWJDDZMZJZ-STQMWFEESA-N 1 2 337.370 3.685 20 0 EHADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000583377680 1029741907 /nfs/dbraw/zinc/74/19/07/1029741907.db2.gz YXEVUWJDDZMZJZ-STQMWFEESA-N 1 2 337.370 3.685 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@]1(CC)C(C)C ZINC000455636280 1029789069 /nfs/dbraw/zinc/78/90/69/1029789069.db2.gz XVVKIIVIOWDLRS-VQIMIIECSA-N 1 2 334.508 3.692 20 0 EHADLO Fc1cccc(Cl)c1CCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000446816883 1029801846 /nfs/dbraw/zinc/80/18/46/1029801846.db2.gz HWBNGHKJBCZKAU-UHFFFAOYSA-N 1 2 347.865 3.625 20 0 EHADLO CC(C)C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccs1 ZINC000533772503 1029804968 /nfs/dbraw/zinc/80/49/68/1029804968.db2.gz TZWOLLQVBDAIKM-LSDHHAIUSA-N 1 2 346.500 3.768 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000446839407 1029822534 /nfs/dbraw/zinc/82/25/34/1029822534.db2.gz SHPPZYIPHYDXPB-HXUWFJFHSA-N 1 2 327.472 3.990 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000446839407 1029822542 /nfs/dbraw/zinc/82/25/42/1029822542.db2.gz SHPPZYIPHYDXPB-HXUWFJFHSA-N 1 2 327.472 3.990 20 0 EHADLO CC(C)c1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000156426394 1029833681 /nfs/dbraw/zinc/83/36/81/1029833681.db2.gz OSMZDVKEIYYXQZ-IBGZPJMESA-N 1 2 345.487 3.529 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@](=O)C1 ZINC000446974755 1029869033 /nfs/dbraw/zinc/86/90/33/1029869033.db2.gz LNEYFAJTWMRFJF-MYYSRTQBSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@](=O)C1 ZINC000446974755 1029869040 /nfs/dbraw/zinc/86/90/40/1029869040.db2.gz LNEYFAJTWMRFJF-MYYSRTQBSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458547797 1029875328 /nfs/dbraw/zinc/87/53/28/1029875328.db2.gz AAOVMAQOZLORBX-GPMSIDNRSA-N 1 2 348.450 3.810 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156604427 1029887614 /nfs/dbraw/zinc/88/76/14/1029887614.db2.gz UKJDNNBRVYXZFA-KBXCAEBGSA-N 1 2 344.842 3.594 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CCO1 ZINC000453193121 1029892473 /nfs/dbraw/zinc/89/24/73/1029892473.db2.gz DPRYWOFRMOHXMC-NZSAHSFTSA-N 1 2 346.450 3.607 20 0 EHADLO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CCO1 ZINC000453193121 1029892487 /nfs/dbraw/zinc/89/24/87/1029892487.db2.gz DPRYWOFRMOHXMC-NZSAHSFTSA-N 1 2 346.450 3.607 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCCCC[C@H]1c1ccco1 ZINC000152267182 1029955904 /nfs/dbraw/zinc/95/59/04/1029955904.db2.gz TZFKZMXTNMZLBZ-INIZCTEOSA-N 1 2 342.443 3.804 20 0 EHADLO Cc1c(NC(=O)NCCCCn2cc[nH+]c2)cccc1C(F)(F)F ZINC000531874963 1029959253 /nfs/dbraw/zinc/95/92/53/1029959253.db2.gz BUQQKSYGZYQTEV-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)c2cn[nH]n2)cc1 ZINC000453247472 1029976326 /nfs/dbraw/zinc/97/63/26/1029976326.db2.gz WKHGKPJUQZACCD-ICSRJNTNSA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)c2c[nH]nn2)cc1 ZINC000453247472 1029976345 /nfs/dbraw/zinc/97/63/45/1029976345.db2.gz WKHGKPJUQZACCD-ICSRJNTNSA-N 1 2 336.414 3.817 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266933 1030005176 /nfs/dbraw/zinc/00/51/76/1030005176.db2.gz MRSYNJSRAIUPAU-QIIPPGSGSA-N 1 2 342.414 3.779 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266933 1030005196 /nfs/dbraw/zinc/00/51/96/1030005196.db2.gz MRSYNJSRAIUPAU-QIIPPGSGSA-N 1 2 342.414 3.779 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cnccc2C)sc1Br ZINC000453267837 1030005422 /nfs/dbraw/zinc/00/54/22/1030005422.db2.gz MWXKRHMZWLBNSA-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1C ZINC000120465830 1030014520 /nfs/dbraw/zinc/01/45/20/1030014520.db2.gz CCOBBIDQTLAOON-UHFFFAOYSA-N 1 2 347.462 3.715 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1C ZINC000120465830 1030014535 /nfs/dbraw/zinc/01/45/35/1030014535.db2.gz CCOBBIDQTLAOON-UHFFFAOYSA-N 1 2 347.462 3.715 20 0 EHADLO Cc1ncc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)n1-c1ccccc1 ZINC000537628725 1030040028 /nfs/dbraw/zinc/04/00/28/1030040028.db2.gz UQNNLPGWYHGIDV-QFIPXVFZSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1ncc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)n1-c1ccccc1 ZINC000537628725 1030040041 /nfs/dbraw/zinc/04/00/41/1030040041.db2.gz UQNNLPGWYHGIDV-QFIPXVFZSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000531903221 1030061054 /nfs/dbraw/zinc/06/10/54/1030061054.db2.gz APWHLMSYRVUGQF-UHFFFAOYSA-N 1 2 344.455 3.601 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000531903221 1030061074 /nfs/dbraw/zinc/06/10/74/1030061074.db2.gz APWHLMSYRVUGQF-UHFFFAOYSA-N 1 2 344.455 3.601 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453302762 1030068962 /nfs/dbraw/zinc/06/89/62/1030068962.db2.gz AVPFBIJPYLNEMV-BXUZGUMPSA-N 1 2 334.261 3.829 20 0 EHADLO Cc1cc(C)cc(C2(c3noc(C[N@@H+](C)[C@H]4CCSC4)n3)CC2)c1 ZINC000453304972 1030073958 /nfs/dbraw/zinc/07/39/58/1030073958.db2.gz GWKPKVFQWHSOBV-INIZCTEOSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1cc(C)cc(C2(c3noc(C[N@H+](C)[C@H]4CCSC4)n3)CC2)c1 ZINC000453304972 1030073972 /nfs/dbraw/zinc/07/39/72/1030073972.db2.gz GWKPKVFQWHSOBV-INIZCTEOSA-N 1 2 343.496 3.704 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631346 1030089409 /nfs/dbraw/zinc/08/94/09/1030089409.db2.gz LNCDPHFGIDXMDV-KBPBESRZSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631346 1030089426 /nfs/dbraw/zinc/08/94/26/1030089426.db2.gz LNCDPHFGIDXMDV-KBPBESRZSA-N 1 2 342.386 3.698 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000600640972 1030097660 /nfs/dbraw/zinc/09/76/60/1030097660.db2.gz JMZDNOVHWSHYJI-IRXDYDNUSA-N 1 2 325.456 3.530 20 0 EHADLO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c(C)c1 ZINC000453327704 1030109075 /nfs/dbraw/zinc/10/90/75/1030109075.db2.gz ZVAJZQLIFRWWJF-LPHOPBHVSA-N 1 2 348.487 3.586 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1C[C@H](C)n3ccnc31)CCC2 ZINC000453339806 1030123557 /nfs/dbraw/zinc/12/35/57/1030123557.db2.gz GWPQEKDZSBKDLK-IACUBPJLSA-N 1 2 343.427 3.634 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cn1 ZINC000428479162 1030124448 /nfs/dbraw/zinc/12/44/48/1030124448.db2.gz JPDUUNFHDSNXMU-VXGBXAGGSA-N 1 2 331.370 3.942 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)F)C2 ZINC000481966424 1030138626 /nfs/dbraw/zinc/13/86/26/1030138626.db2.gz TZVLRINXSSOFCS-CJNGLKHVSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](c1ccccc1)C(F)F)CC2 ZINC000481966424 1030138649 /nfs/dbraw/zinc/13/86/49/1030138649.db2.gz TZVLRINXSSOFCS-CJNGLKHVSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](c1ccccc1)C(F)F)C2 ZINC000481966421 1030138886 /nfs/dbraw/zinc/13/88/86/1030138886.db2.gz TZVLRINXSSOFCS-BBRMVZONSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)F)CC2 ZINC000481966421 1030138895 /nfs/dbraw/zinc/13/88/95/1030138895.db2.gz TZVLRINXSSOFCS-BBRMVZONSA-N 1 2 347.409 3.761 20 0 EHADLO CC(C)(C)[C@@H](NCc1c[nH+]cn1Cc1ccccc1)C(F)(F)F ZINC000525833130 1030156301 /nfs/dbraw/zinc/15/63/01/1030156301.db2.gz VRKIYSJXQYEQBL-OAHLLOKOSA-N 1 2 325.378 3.998 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000657772544 1030165810 /nfs/dbraw/zinc/16/58/10/1030165810.db2.gz FNUSSWLLMMBAHY-OAHLLOKOSA-N 1 2 344.213 3.964 20 0 EHADLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000447398568 1030166542 /nfs/dbraw/zinc/16/65/42/1030166542.db2.gz SIRGIKJQTAGTGN-HNNXBMFYSA-N 1 2 348.450 3.811 20 0 EHADLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000447398568 1030166557 /nfs/dbraw/zinc/16/65/57/1030166557.db2.gz SIRGIKJQTAGTGN-HNNXBMFYSA-N 1 2 348.450 3.811 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H]2CCCc3c2cnn3C)c2ccco2)cc1 ZINC000453404834 1030210786 /nfs/dbraw/zinc/21/07/86/1030210786.db2.gz NXHZYUDZDSVYEM-PXNSSMCTSA-N 1 2 337.423 3.778 20 0 EHADLO C[C@@H]([NH2+]CC1(F)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000525995464 1030289349 /nfs/dbraw/zinc/28/93/49/1030289349.db2.gz SSKSJLFKQYQZLH-SECBINFHSA-N 1 2 340.196 3.652 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000091704706 1030290542 /nfs/dbraw/zinc/29/05/42/1030290542.db2.gz VPLUPMIJDYQGCI-AQFXKWCLSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000091704706 1030290558 /nfs/dbraw/zinc/29/05/58/1030290558.db2.gz VPLUPMIJDYQGCI-AQFXKWCLSA-N 1 2 329.488 3.644 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1F ZINC000278355577 1030344653 /nfs/dbraw/zinc/34/46/53/1030344653.db2.gz IHMFWICXVTVWSI-MRXNPFEDSA-N 1 2 333.407 3.972 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cc2n(n1)CCCC2 ZINC000647302254 1030380858 /nfs/dbraw/zinc/38/08/58/1030380858.db2.gz JXUGOXVSSRFGJR-NWDGAFQWSA-N 1 2 349.276 3.789 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1cccc(F)c1 ZINC000378082447 1030421443 /nfs/dbraw/zinc/42/14/43/1030421443.db2.gz GZDFPCZICSHIAC-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)Cc1cccc(F)c1 ZINC000378082447 1030421451 /nfs/dbraw/zinc/42/14/51/1030421451.db2.gz GZDFPCZICSHIAC-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCCOC2)O1 ZINC000482447737 1030425484 /nfs/dbraw/zinc/42/54/84/1030425484.db2.gz FDZULDMWDKRBSB-HNNXBMFYSA-N 1 2 349.418 3.927 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCCOC2)O1 ZINC000482447737 1030425491 /nfs/dbraw/zinc/42/54/91/1030425491.db2.gz FDZULDMWDKRBSB-HNNXBMFYSA-N 1 2 349.418 3.927 20 0 EHADLO CCn1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2ccccc21 ZINC000343348454 1030435890 /nfs/dbraw/zinc/43/58/90/1030435890.db2.gz YDHQEKQWPWGDRY-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO c1c2ccncc2sc1C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000668053868 1030445990 /nfs/dbraw/zinc/44/59/90/1030445990.db2.gz FQJGPZXNMQAJGR-KRWDZBQOSA-N 1 2 340.448 3.576 20 0 EHADLO c1c2ccncc2sc1C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000668053868 1030445995 /nfs/dbraw/zinc/44/59/95/1030445995.db2.gz FQJGPZXNMQAJGR-KRWDZBQOSA-N 1 2 340.448 3.576 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000092452421 1030455618 /nfs/dbraw/zinc/45/56/18/1030455618.db2.gz JITOUOIZABYTDH-KRWDZBQOSA-N 1 2 348.240 3.728 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000092452421 1030455620 /nfs/dbraw/zinc/45/56/20/1030455620.db2.gz JITOUOIZABYTDH-KRWDZBQOSA-N 1 2 348.240 3.728 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482126 1030465608 /nfs/dbraw/zinc/46/56/08/1030465608.db2.gz HCODUPHPQWMXMR-IUODEOHRSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482126 1030465615 /nfs/dbraw/zinc/46/56/15/1030465615.db2.gz HCODUPHPQWMXMR-IUODEOHRSA-N 1 2 329.893 3.754 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)nnn1-c1ccccc1 ZINC000532229317 1030492603 /nfs/dbraw/zinc/49/26/03/1030492603.db2.gz NZTVRECLKRZIAF-GJZGRUSLSA-N 1 2 338.459 3.765 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccccc3)c[nH]1)CO2 ZINC000447816041 1030493792 /nfs/dbraw/zinc/49/37/92/1030493792.db2.gz HKRQTEXSLZMTNV-INIZCTEOSA-N 1 2 325.799 3.953 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000278383490 1030508509 /nfs/dbraw/zinc/50/85/09/1030508509.db2.gz ZBMBCJCEYWVBNW-ZBFHGGJFSA-N 1 2 326.444 3.631 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1c[nH+]cn1C ZINC000526972422 1030530034 /nfs/dbraw/zinc/53/00/34/1030530034.db2.gz SZBHHRXIVVAAIC-UHFFFAOYSA-N 1 2 341.499 3.626 20 0 EHADLO Cc1cccc2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)oc21 ZINC000343370333 1030535180 /nfs/dbraw/zinc/53/51/80/1030535180.db2.gz RFVDWYFVBATJSL-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1c(Cl)cccc1Cl ZINC000527000477 1030537956 /nfs/dbraw/zinc/53/79/56/1030537956.db2.gz TZWYJKPZFQFFML-HNNXBMFYSA-N 1 2 336.222 3.693 20 0 EHADLO O=C(C[NH2+]Cc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 ZINC000550852481 1030555589 /nfs/dbraw/zinc/55/55/89/1030555589.db2.gz JMHPLEVHWHTGRQ-UHFFFAOYSA-N 1 2 341.411 3.678 20 0 EHADLO NC(=O)c1cccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000532359322 1030565204 /nfs/dbraw/zinc/56/52/04/1030565204.db2.gz ZQAONDSGRWNZQG-UHFFFAOYSA-N 1 2 335.234 3.871 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)o1 ZINC000093480430 1030616308 /nfs/dbraw/zinc/61/63/08/1030616308.db2.gz MKKCXEIOTCIZJQ-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)o1 ZINC000093480430 1030616311 /nfs/dbraw/zinc/61/63/11/1030616311.db2.gz MKKCXEIOTCIZJQ-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO O=C(CCc1ccc(Br)cc1)Nc1cccc2[nH+]ccn21 ZINC000482667909 1030626380 /nfs/dbraw/zinc/62/63/80/1030626380.db2.gz IYVRVKLSAMAGPL-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO Cc1cc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)ccc1F ZINC000527074946 1030627051 /nfs/dbraw/zinc/62/70/51/1030627051.db2.gz JVDBHKLJDSEGGO-SFHVURJKSA-N 1 2 338.386 3.820 20 0 EHADLO Cc1nc(Cc2nnc(SCCc3[nH+]cc(C)cc3C)o2)cs1 ZINC000583752221 1030635037 /nfs/dbraw/zinc/63/50/37/1030635037.db2.gz XGDXFWSFIFVEQC-UHFFFAOYSA-N 1 2 346.481 3.772 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000151099935 1030641887 /nfs/dbraw/zinc/64/18/87/1030641887.db2.gz VPYKVFFEYKRKQR-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F ZINC000657791204 1030670856 /nfs/dbraw/zinc/67/08/56/1030670856.db2.gz BNSDAKOXBRTCSQ-OAHLLOKOSA-N 1 2 349.274 3.946 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000093768734 1030671891 /nfs/dbraw/zinc/67/18/91/1030671891.db2.gz SFMTXFUDKLGDHO-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000093768734 1030671897 /nfs/dbraw/zinc/67/18/97/1030671897.db2.gz SFMTXFUDKLGDHO-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO FC(F)(F)c1cc(CN2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000628125177 1030694809 /nfs/dbraw/zinc/69/48/09/1030694809.db2.gz NRQDJQGAVVRBMW-UHFFFAOYSA-N 1 2 330.375 3.678 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235618 1030726249 /nfs/dbraw/zinc/72/62/49/1030726249.db2.gz LRXMWZQVMCOPIW-WBVHZDCISA-N 1 2 337.467 3.750 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235618 1030726265 /nfs/dbraw/zinc/72/62/65/1030726265.db2.gz LRXMWZQVMCOPIW-WBVHZDCISA-N 1 2 337.467 3.750 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000527235615 1030726671 /nfs/dbraw/zinc/72/66/71/1030726671.db2.gz LRXMWZQVMCOPIW-DOTOQJQBSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000527235615 1030726674 /nfs/dbraw/zinc/72/66/74/1030726674.db2.gz LRXMWZQVMCOPIW-DOTOQJQBSA-N 1 2 337.467 3.750 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527242851 1030732758 /nfs/dbraw/zinc/73/27/58/1030732758.db2.gz ABWMWGLZWYYWHO-DZGCQCFKSA-N 1 2 341.455 3.984 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527242851 1030732764 /nfs/dbraw/zinc/73/27/64/1030732764.db2.gz ABWMWGLZWYYWHO-DZGCQCFKSA-N 1 2 341.455 3.984 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2cccc(Cl)c2)c2cn[nH]n2)cc1 ZINC000550887070 1030767357 /nfs/dbraw/zinc/76/73/57/1030767357.db2.gz LRLLQDLXXRNPSU-QGZVFWFLSA-N 1 2 330.794 3.519 20 0 EHADLO CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccs1 ZINC000171653323 1030772789 /nfs/dbraw/zinc/77/27/89/1030772789.db2.gz OFAKXFNDYDHZNW-CQSZACIVSA-N 1 2 332.473 3.786 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)c1nccn1C ZINC000657794059 1030783280 /nfs/dbraw/zinc/78/32/80/1030783280.db2.gz NFWNSRDCJHNYOT-CYBMUJFWSA-N 1 2 343.862 3.727 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000172169611 1030844438 /nfs/dbraw/zinc/84/44/38/1030844438.db2.gz GLBDPFAXRFPMRW-ZDUSSCGKSA-N 1 2 347.484 3.618 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000172169611 1030844464 /nfs/dbraw/zinc/84/44/64/1030844464.db2.gz GLBDPFAXRFPMRW-ZDUSSCGKSA-N 1 2 347.484 3.618 20 0 EHADLO c1n[nH]c([C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C2CCCCC2)n1 ZINC000650759949 1030852071 /nfs/dbraw/zinc/85/20/71/1030852071.db2.gz UPERDMVKHWJTJS-IEBWSBKVSA-N 1 2 339.487 3.833 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cccc1OC1CC1 ZINC000668181019 1030855923 /nfs/dbraw/zinc/85/59/23/1030855923.db2.gz FIZXGSPYNQWJGR-AWEZNQCLSA-N 1 2 335.810 3.664 20 0 EHADLO Fc1c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cccc1OC1CC1 ZINC000668181019 1030855945 /nfs/dbraw/zinc/85/59/45/1030855945.db2.gz FIZXGSPYNQWJGR-AWEZNQCLSA-N 1 2 335.810 3.664 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966234 1030867862 /nfs/dbraw/zinc/86/78/62/1030867862.db2.gz MMFDLQGKJWUKSV-GXTWGEPZSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966234 1030867880 /nfs/dbraw/zinc/86/78/80/1030867880.db2.gz MMFDLQGKJWUKSV-GXTWGEPZSA-N 1 2 331.485 3.736 20 0 EHADLO CC(C)CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000172450185 1030948805 /nfs/dbraw/zinc/94/88/05/1030948805.db2.gz YFMAVIYXILJBPM-UHFFFAOYSA-N 1 2 342.443 3.614 20 0 EHADLO C[C@@H]1CC=CC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000551036967 1030961994 /nfs/dbraw/zinc/96/19/94/1030961994.db2.gz GBSHZQUDGIOTOZ-CRAIPNDOSA-N 1 2 339.439 3.639 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000527522334 1030966632 /nfs/dbraw/zinc/96/66/32/1030966632.db2.gz FJKXAPHTKSBWJA-UHFFFAOYSA-N 1 2 336.395 3.524 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483107789 1030973047 /nfs/dbraw/zinc/97/30/47/1030973047.db2.gz SDBWMTXXVWWBER-MAUKXSAKSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483107789 1030973049 /nfs/dbraw/zinc/97/30/49/1030973049.db2.gz SDBWMTXXVWWBER-MAUKXSAKSA-N 1 2 331.362 3.668 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000460527476 1030984208 /nfs/dbraw/zinc/98/42/08/1030984208.db2.gz YETQBLLEXBVFNE-DYVFJYSZSA-N 1 2 346.862 3.849 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000098033625 1030998065 /nfs/dbraw/zinc/99/80/65/1030998065.db2.gz RWNVJOVXESWCDY-HNNXBMFYSA-N 1 2 332.407 3.706 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483173771 1031012346 /nfs/dbraw/zinc/01/23/46/1031012346.db2.gz IAYBIDAAVICWFL-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483173771 1031012369 /nfs/dbraw/zinc/01/23/69/1031012369.db2.gz IAYBIDAAVICWFL-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)c(F)cc1OC ZINC000527669175 1031099551 /nfs/dbraw/zinc/09/95/51/1031099551.db2.gz ILCDGHYNTBQGMW-UHFFFAOYSA-N 1 2 343.402 3.708 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccccc2OCC(F)(F)F)cs1 ZINC000343498448 1031143791 /nfs/dbraw/zinc/14/37/91/1031143791.db2.gz VOPFAVGWRARDLA-UHFFFAOYSA-N 1 2 346.374 3.520 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000158183566 1031155615 /nfs/dbraw/zinc/15/56/15/1031155615.db2.gz ISQXNWNGYDDOLY-NXHRZFHOSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000158183566 1031155625 /nfs/dbraw/zinc/15/56/25/1031155625.db2.gz ISQXNWNGYDDOLY-NXHRZFHOSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000174074360 1031164774 /nfs/dbraw/zinc/16/47/74/1031164774.db2.gz BXVDCDNSIGSFHD-YJBOKZPZSA-N 1 2 347.418 3.798 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc2cccnc12 ZINC000483439186 1031171835 /nfs/dbraw/zinc/17/18/35/1031171835.db2.gz NYWNFBDHLHYYNM-OAQYLSRUSA-N 1 2 348.446 3.823 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc2cccnc12 ZINC000483439186 1031171844 /nfs/dbraw/zinc/17/18/44/1031171844.db2.gz NYWNFBDHLHYYNM-OAQYLSRUSA-N 1 2 348.446 3.823 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCC1 ZINC000483443488 1031174239 /nfs/dbraw/zinc/17/42/39/1031174239.db2.gz XIJLOAYSWXRJKW-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCC1 ZINC000483443488 1031174250 /nfs/dbraw/zinc/17/42/50/1031174250.db2.gz XIJLOAYSWXRJKW-SNVBAGLBSA-N 1 2 333.325 3.761 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C(F)F)CC1 ZINC000483521925 1031207594 /nfs/dbraw/zinc/20/75/94/1031207594.db2.gz DBKUGPRLPDFSGT-LLVKDONJSA-N 1 2 339.361 3.838 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1coc3ccccc13)C2 ZINC000583953106 1031217520 /nfs/dbraw/zinc/21/75/20/1031217520.db2.gz OKVDALCUOSISHL-ZDUSSCGKSA-N 1 2 337.423 3.701 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1coc3ccccc13)CC2 ZINC000583953106 1031217534 /nfs/dbraw/zinc/21/75/34/1031217534.db2.gz OKVDALCUOSISHL-ZDUSSCGKSA-N 1 2 337.423 3.701 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cc(F)c(Br)cc2F)s1 ZINC000527790689 1031226740 /nfs/dbraw/zinc/22/67/40/1031226740.db2.gz JEEIXYAODJECBU-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CC23CCCCC3)c1)[NH+]1CCOCC1 ZINC000477109793 1031262963 /nfs/dbraw/zinc/26/29/63/1031262963.db2.gz DLBXNXJPUZRLOQ-APWZRJJASA-N 1 2 342.483 3.989 20 0 EHADLO Cc1cccc(NC[C@H]2CCN(Cc3nc(C4CC4)cs3)C2)[nH+]1 ZINC000343530494 1031283574 /nfs/dbraw/zinc/28/35/74/1031283574.db2.gz NYVBMPSINIMKOF-CQSZACIVSA-N 1 2 328.485 3.658 20 0 EHADLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536161 1031285813 /nfs/dbraw/zinc/28/58/13/1031285813.db2.gz RNZLPFJJNBCLAO-IEBWSBKVSA-N 1 2 345.874 3.542 20 0 EHADLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536161 1031285822 /nfs/dbraw/zinc/28/58/22/1031285822.db2.gz RNZLPFJJNBCLAO-IEBWSBKVSA-N 1 2 345.874 3.542 20 0 EHADLO COc1ccc(Br)c(C[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000527828385 1031293678 /nfs/dbraw/zinc/29/36/78/1031293678.db2.gz SUQGWPOJOMTXPA-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC(F)(F)CC1 ZINC000527882625 1031370973 /nfs/dbraw/zinc/37/09/73/1031370973.db2.gz NUPVAMQRFGYKMY-UHFFFAOYSA-N 1 2 347.409 3.763 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)cc1F ZINC000176175327 1031389946 /nfs/dbraw/zinc/38/99/46/1031389946.db2.gz CPOUGOFNXHYEKK-UHFFFAOYSA-N 1 2 345.324 3.528 20 0 EHADLO Cc1cccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000666078880 1031401754 /nfs/dbraw/zinc/40/17/54/1031401754.db2.gz FYJCMDGKAGRUDJ-RTBURBONSA-N 1 2 349.434 3.654 20 0 EHADLO C[C@@H](Cc1nc(-c2cc(Br)cs2)no1)n1cc[nH+]c1 ZINC000565779898 1031403693 /nfs/dbraw/zinc/40/36/93/1031403693.db2.gz YSPPWHWCHJYGAS-QMMMGPOBSA-N 1 2 339.218 3.561 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000527922986 1031412285 /nfs/dbraw/zinc/41/22/85/1031412285.db2.gz ZOAQOOTVEASBCJ-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C)c1cccc2ccccc21 ZINC000477304780 1031417972 /nfs/dbraw/zinc/41/79/72/1031417972.db2.gz FZFIAWMSGJABDS-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C)c1cccc2ccccc21 ZINC000477304780 1031417982 /nfs/dbraw/zinc/41/79/82/1031417982.db2.gz FZFIAWMSGJABDS-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000176546097 1031458221 /nfs/dbraw/zinc/45/82/21/1031458221.db2.gz JVQMSCVQQZGTTQ-UHFFFAOYSA-N 1 2 327.428 3.602 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000527940047 1031465154 /nfs/dbraw/zinc/46/51/54/1031465154.db2.gz ULNVSIUXNUNNSG-AWEZNQCLSA-N 1 2 343.475 3.774 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000177104372 1031510616 /nfs/dbraw/zinc/51/06/16/1031510616.db2.gz XHANWSJEZVXMCI-ONEGZZNKSA-N 1 2 335.382 3.731 20 0 EHADLO Cn1c(C[N@H+](C)Cc2cc(F)cc3cccnc32)nc2ccccc21 ZINC000177203272 1031521237 /nfs/dbraw/zinc/52/12/37/1031521237.db2.gz MPEBEYXACWKITJ-UHFFFAOYSA-N 1 2 334.398 3.893 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2cc(F)cc3cccnc32)nc2ccccc21 ZINC000177203272 1031521250 /nfs/dbraw/zinc/52/12/50/1031521250.db2.gz MPEBEYXACWKITJ-UHFFFAOYSA-N 1 2 334.398 3.893 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(Br)c1 ZINC000084221724 1031589373 /nfs/dbraw/zinc/58/93/73/1031589373.db2.gz PHYRQGLMRHNJPV-LLVKDONJSA-N 1 2 328.250 3.611 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000084221724 1031589379 /nfs/dbraw/zinc/58/93/79/1031589379.db2.gz PHYRQGLMRHNJPV-LLVKDONJSA-N 1 2 328.250 3.611 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000448759188 1031608935 /nfs/dbraw/zinc/60/89/35/1031608935.db2.gz MVMBFMHYMOPFAV-HUUCEWRRSA-N 1 2 341.480 3.653 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000448759188 1031608941 /nfs/dbraw/zinc/60/89/41/1031608941.db2.gz MVMBFMHYMOPFAV-HUUCEWRRSA-N 1 2 341.480 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCC23CC3)C[C@H](C)O1 ZINC000528035770 1031616389 /nfs/dbraw/zinc/61/63/89/1031616389.db2.gz KVSHZPLDCQFDHA-JZXOWHBKSA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCC23CC3)C[C@H](C)O1 ZINC000528035770 1031616398 /nfs/dbraw/zinc/61/63/98/1031616398.db2.gz KVSHZPLDCQFDHA-JZXOWHBKSA-N 1 2 342.483 3.815 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074447 1031618086 /nfs/dbraw/zinc/61/80/86/1031618086.db2.gz HYPKBMSHFXPQAM-CQSZACIVSA-N 1 2 333.395 3.568 20 0 EHADLO COc1cc(O)ccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001213092969 1031663011 /nfs/dbraw/zinc/66/30/11/1031663011.db2.gz XBIHCJLKCRXYBG-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccccc21 ZINC000278618152 1031672748 /nfs/dbraw/zinc/67/27/48/1031672748.db2.gz JVMUZAJZEKWWDP-CABCVRRESA-N 1 2 336.439 3.791 20 0 EHADLO Clc1ccc2nc([C@@H]3CCC[N@@H+]3CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000329663980 1031673383 /nfs/dbraw/zinc/67/33/83/1031673383.db2.gz JRMYIIALPHWLQV-IRXDYDNUSA-N 1 2 349.862 3.896 20 0 EHADLO Clc1ccc2nc([C@@H]3CCC[N@H+]3CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000329663980 1031673392 /nfs/dbraw/zinc/67/33/92/1031673392.db2.gz JRMYIIALPHWLQV-IRXDYDNUSA-N 1 2 349.862 3.896 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000133669524 1031677715 /nfs/dbraw/zinc/67/77/15/1031677715.db2.gz ZWTTZKUTVXHWKT-UHFFFAOYSA-N 1 2 347.871 3.842 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2cccc(F)c2)CCCC1 ZINC000178390671 1031691839 /nfs/dbraw/zinc/69/18/39/1031691839.db2.gz YJNBBQAJEPZZIN-UHFFFAOYSA-N 1 2 337.398 3.602 20 0 EHADLO CCC[C@@H](OCC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528097194 1031699317 /nfs/dbraw/zinc/69/93/17/1031699317.db2.gz CYUGIPIRQWOYCV-MRXNPFEDSA-N 1 2 326.400 3.859 20 0 EHADLO Cc1noc(C)c1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000584091564 1031711436 /nfs/dbraw/zinc/71/14/36/1031711436.db2.gz ISMWKSINPDQLHY-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000477633399 1031751276 /nfs/dbraw/zinc/75/12/76/1031751276.db2.gz HVHDUCJRSKYZNL-AWEZNQCLSA-N 1 2 341.386 3.948 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000477633399 1031751297 /nfs/dbraw/zinc/75/12/97/1031751297.db2.gz HVHDUCJRSKYZNL-AWEZNQCLSA-N 1 2 341.386 3.948 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000117576065 1031756400 /nfs/dbraw/zinc/75/64/00/1031756400.db2.gz OTKWCWZKJRROPO-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528141378 1031769917 /nfs/dbraw/zinc/76/99/17/1031769917.db2.gz SXZPFUJXEMKMQB-LSDHHAIUSA-N 1 2 347.509 3.933 20 0 EHADLO O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117619623 1031781250 /nfs/dbraw/zinc/78/12/50/1031781250.db2.gz NSWRTOKNYADGEW-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117634319 1031786125 /nfs/dbraw/zinc/78/61/25/1031786125.db2.gz TYMLLBXHRSYQHQ-HNNXBMFYSA-N 1 2 335.407 3.762 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234907 1031811415 /nfs/dbraw/zinc/81/14/15/1031811415.db2.gz DLQQYYHPKRXCRH-MRXNPFEDSA-N 1 2 326.440 3.854 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234907 1031811453 /nfs/dbraw/zinc/81/14/53/1031811453.db2.gz DLQQYYHPKRXCRH-MRXNPFEDSA-N 1 2 326.440 3.854 20 0 EHADLO CCC[C@H](c1nc(Cc2c[nH+]cn2C)no1)c1cccc(Cl)c1 ZINC000528159812 1031813577 /nfs/dbraw/zinc/81/35/77/1031813577.db2.gz JKELUDWBTCGIDA-HNNXBMFYSA-N 1 2 330.819 3.979 20 0 EHADLO Cc1nc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc[nH+]1 ZINC000278649007 1031818992 /nfs/dbraw/zinc/81/89/92/1031818992.db2.gz DMKSADHHWKXDLZ-UHFFFAOYSA-N 1 2 345.446 3.940 20 0 EHADLO CCCc1nc(C[NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)no1 ZINC000484644836 1031833642 /nfs/dbraw/zinc/83/36/42/1031833642.db2.gz MRHFILFXAHYSOW-IRXDYDNUSA-N 1 2 329.444 3.810 20 0 EHADLO COc1ccccc1OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180468546 1031860026 /nfs/dbraw/zinc/86/00/26/1031860026.db2.gz OGUGJHQIBJEWLA-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO COc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180468546 1031860039 /nfs/dbraw/zinc/86/00/39/1031860039.db2.gz OGUGJHQIBJEWLA-UHFFFAOYSA-N 1 2 338.407 3.764 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCc2nc(C3CC3)ncc2C1 ZINC000528197566 1031886858 /nfs/dbraw/zinc/88/68/58/1031886858.db2.gz PUGRLHPOOVCOBU-UHFFFAOYSA-N 1 2 346.434 3.782 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000904269369 1031895367 /nfs/dbraw/zinc/89/53/67/1031895367.db2.gz CXOBRYFEMDXPMO-UZLBHIALSA-N 1 2 332.407 3.784 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000904272124 1031899389 /nfs/dbraw/zinc/89/93/89/1031899389.db2.gz KQDAOQYLCAMWAV-UWVGGRQHSA-N 1 2 326.322 3.858 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448926729 1031900284 /nfs/dbraw/zinc/90/02/84/1031900284.db2.gz FIZPFYGXTWPVEG-QZTJIDSGSA-N 1 2 329.488 3.760 20 0 EHADLO COc1ccc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)o1 ZINC000892373144 1031901001 /nfs/dbraw/zinc/90/10/01/1031901001.db2.gz NLDZNECPLGHZGE-UHFFFAOYSA-N 1 2 343.452 3.989 20 0 EHADLO COc1ccc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)o1 ZINC000892373144 1031901012 /nfs/dbraw/zinc/90/10/12/1031901012.db2.gz NLDZNECPLGHZGE-UHFFFAOYSA-N 1 2 343.452 3.989 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)[nH+]c12 ZINC000152877641 1031901738 /nfs/dbraw/zinc/90/17/38/1031901738.db2.gz ZBZDJAGSJHYMAA-RYRKJORJSA-N 1 2 340.471 3.548 20 0 EHADLO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000924644059 1031923374 /nfs/dbraw/zinc/92/33/74/1031923374.db2.gz RKFFEGFNARKHIH-NEPJUHHUSA-N 1 2 344.272 3.508 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C)s1 ZINC000460660162 1031941372 /nfs/dbraw/zinc/94/13/72/1031941372.db2.gz YRQUBBLWUBRBSQ-UHFFFAOYSA-N 1 2 329.469 3.867 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc[nH+]c12 ZINC000528218804 1031956222 /nfs/dbraw/zinc/95/62/22/1031956222.db2.gz JCNDUPISVCLKKU-JPMUSVJPSA-N 1 2 344.480 3.513 20 0 EHADLO C[C@H]1[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(F)F ZINC000460688086 1031963921 /nfs/dbraw/zinc/96/39/21/1031963921.db2.gz CFVGVGWXMFFXBZ-XHDPSFHLSA-N 1 2 331.366 3.726 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387268 1031982027 /nfs/dbraw/zinc/98/20/27/1031982027.db2.gz RGEGIJCWNDGZBN-CXAGYDPISA-N 1 2 328.435 3.805 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387268 1031982042 /nfs/dbraw/zinc/98/20/42/1031982042.db2.gz RGEGIJCWNDGZBN-CXAGYDPISA-N 1 2 328.435 3.805 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000347479386 1031982307 /nfs/dbraw/zinc/98/23/07/1031982307.db2.gz GBWZJBPBSNSMEI-MRXNPFEDSA-N 1 2 345.874 3.802 20 0 EHADLO Cn1c(C[N@H+](C)CCCOc2cccc(Cl)c2)nnc1C1CCC1 ZINC000181128613 1031986129 /nfs/dbraw/zinc/98/61/29/1031986129.db2.gz KHNNQEHMSLOCFO-UHFFFAOYSA-N 1 2 348.878 3.637 20 0 EHADLO Cn1c(C[N@@H+](C)CCCOc2cccc(Cl)c2)nnc1C1CCC1 ZINC000181128613 1031986152 /nfs/dbraw/zinc/98/61/52/1031986152.db2.gz KHNNQEHMSLOCFO-UHFFFAOYSA-N 1 2 348.878 3.637 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482346 1031993187 /nfs/dbraw/zinc/99/31/87/1031993187.db2.gz ZKCYWEDVIWBGTH-DLBZAZTESA-N 1 2 346.519 3.906 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482346 1031993194 /nfs/dbraw/zinc/99/31/94/1031993194.db2.gz ZKCYWEDVIWBGTH-DLBZAZTESA-N 1 2 346.519 3.906 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477602 1031993804 /nfs/dbraw/zinc/99/38/04/1031993804.db2.gz XELJIPNFALEGHX-SJORKVTESA-N 1 2 346.519 3.906 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477602 1031993827 /nfs/dbraw/zinc/99/38/27/1031993827.db2.gz XELJIPNFALEGHX-SJORKVTESA-N 1 2 346.519 3.906 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449002056 1032009552 /nfs/dbraw/zinc/00/95/52/1032009552.db2.gz IVIIAKOFNANSTF-VMPITWQZSA-N 1 2 333.435 3.659 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccnn2C2CCCC2)cc(OC)c1 ZINC000449013870 1032023147 /nfs/dbraw/zinc/02/31/47/1032023147.db2.gz MVFZKOVHUAAYID-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccnn2C2CCCC2)cc(OC)c1 ZINC000449013870 1032023156 /nfs/dbraw/zinc/02/31/56/1032023156.db2.gz MVFZKOVHUAAYID-UHFFFAOYSA-N 1 2 329.444 3.647 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccnn2C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000449017088 1032031951 /nfs/dbraw/zinc/03/19/51/1032031951.db2.gz GVCCWTWBSGCFBM-JXFKEZNVSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccnn2C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000449017088 1032031961 /nfs/dbraw/zinc/03/19/61/1032031961.db2.gz GVCCWTWBSGCFBM-JXFKEZNVSA-N 1 2 325.456 3.960 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000533892632 1032035097 /nfs/dbraw/zinc/03/50/97/1032035097.db2.gz UQKPSKRVWLSLFI-VQIMIIECSA-N 1 2 340.471 3.942 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)cs1 ZINC000536655659 1032046650 /nfs/dbraw/zinc/04/66/50/1032046650.db2.gz DAVFJNBDKCXWGS-UHFFFAOYSA-N 1 2 326.412 3.981 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(OCC(F)F)cc2)cs1 ZINC000536655659 1032046664 /nfs/dbraw/zinc/04/66/64/1032046664.db2.gz DAVFJNBDKCXWGS-UHFFFAOYSA-N 1 2 326.412 3.981 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CC[C@H](C)C1 ZINC000484889185 1032056287 /nfs/dbraw/zinc/05/62/87/1032056287.db2.gz RVDRISKQTVYAGW-MAUKXSAKSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CC[C@H](C)C1 ZINC000484889185 1032056297 /nfs/dbraw/zinc/05/62/97/1032056297.db2.gz RVDRISKQTVYAGW-MAUKXSAKSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1cc(F)c(C[NH+]2CC(c3cccnc3)C2)cc1Br ZINC001140697950 1033303455 /nfs/dbraw/zinc/30/34/55/1033303455.db2.gz NFQWXNUGSQASLC-UHFFFAOYSA-N 1 2 335.220 3.891 20 0 EHADLO CSC[C@@H]1CCCN1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603021860 1033314981 /nfs/dbraw/zinc/31/49/81/1033314981.db2.gz NIOXCTLBSPZFGI-HNNXBMFYSA-N 1 2 344.484 3.660 20 0 EHADLO Cc1ncc2c(n1)CCC[C@H]2Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000842028403 1033342573 /nfs/dbraw/zinc/34/25/73/1033342573.db2.gz OBHQOQDMYCYHLK-OAHLLOKOSA-N 1 2 348.385 3.838 20 0 EHADLO CCCCc1nc(CO[NH+]=C(N)Cc2ccc(OC)cc2)cs1 ZINC000063457105 1033358433 /nfs/dbraw/zinc/35/84/33/1033358433.db2.gz NEQMQJLRMRIILO-UHFFFAOYSA-N 1 2 333.457 3.526 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2c(C)cc(C)nc2OC)cc1C ZINC000598648181 1033363160 /nfs/dbraw/zinc/36/31/60/1033363160.db2.gz IAHCDZUSEICRME-AWEZNQCLSA-N 1 2 346.427 3.588 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2c(C)cc(C)nc2OC)cc1C ZINC000598648181 1033363174 /nfs/dbraw/zinc/36/31/74/1033363174.db2.gz IAHCDZUSEICRME-AWEZNQCLSA-N 1 2 346.427 3.588 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173537752 1033381835 /nfs/dbraw/zinc/38/18/35/1033381835.db2.gz ZRWNJHNYTGNDFC-SFHVURJKSA-N 1 2 331.485 3.832 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173537752 1033381851 /nfs/dbraw/zinc/38/18/51/1033381851.db2.gz ZRWNJHNYTGNDFC-SFHVURJKSA-N 1 2 331.485 3.832 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@@H]1F ZINC000898188735 1033384557 /nfs/dbraw/zinc/38/45/57/1033384557.db2.gz OQAZXDQKNIIBRE-OALUTQOASA-N 1 2 343.446 3.570 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@@H]1F ZINC000898188735 1033384574 /nfs/dbraw/zinc/38/45/74/1033384574.db2.gz OQAZXDQKNIIBRE-OALUTQOASA-N 1 2 343.446 3.570 20 0 EHADLO O[C@@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C[C@@H]1F ZINC000898187378 1033384666 /nfs/dbraw/zinc/38/46/66/1033384666.db2.gz FSEPPZGHPUSYLC-MKMATAJISA-N 1 2 341.426 3.684 20 0 EHADLO O[C@@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C[C@@H]1F ZINC000898187378 1033384686 /nfs/dbraw/zinc/38/46/86/1033384686.db2.gz FSEPPZGHPUSYLC-MKMATAJISA-N 1 2 341.426 3.684 20 0 EHADLO Cc1cc(Br)ccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460326562 1033399091 /nfs/dbraw/zinc/39/90/91/1033399091.db2.gz SVCAEIWHJPIIOO-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC(C)c1ccc(-c2nc(C(=O)NCCc3[nH]cc[nH+]3)cs2)cc1 ZINC000171758433 1033419175 /nfs/dbraw/zinc/41/91/75/1033419175.db2.gz LDBKQYRWABYZRN-UHFFFAOYSA-N 1 2 340.452 3.629 20 0 EHADLO Cc1ccccc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000063509617 1033423552 /nfs/dbraw/zinc/42/35/52/1033423552.db2.gz SWHOMWCJMLKGPZ-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO CC(C)n1cc(Br)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608133589 1033512561 /nfs/dbraw/zinc/51/25/61/1033512561.db2.gz SUYRJNGNJGOAGS-UHFFFAOYSA-N 1 2 347.216 3.732 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127165601 1033522504 /nfs/dbraw/zinc/52/25/04/1033522504.db2.gz SDBJXSGLRPENEN-UHFFFAOYSA-N 1 2 325.437 3.603 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccco1 ZINC000080240393 1033550785 /nfs/dbraw/zinc/55/07/85/1033550785.db2.gz DIAUKSPOCOCLSM-QGZVFWFLSA-N 1 2 345.830 3.655 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3ccccc3C)cn2c1 ZINC000598913925 1033570527 /nfs/dbraw/zinc/57/05/27/1033570527.db2.gz ZAUPYPQKOHMXFV-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2[nH]ncc2C)c2ccc(F)cc2)cc1 ZINC000685614249 1033619073 /nfs/dbraw/zinc/61/90/73/1033619073.db2.gz ZNUZIHFPISGOMK-IBGZPJMESA-N 1 2 325.387 3.745 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2n[nH]cc2C)c2ccc(F)cc2)cc1 ZINC000685614249 1033619083 /nfs/dbraw/zinc/61/90/83/1033619083.db2.gz ZNUZIHFPISGOMK-IBGZPJMESA-N 1 2 325.387 3.745 20 0 EHADLO C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000608388394 1033666011 /nfs/dbraw/zinc/66/60/11/1033666011.db2.gz JDWPHCOLSYOQON-VQIMIIECSA-N 1 2 348.450 3.764 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC2(C1)CCCCC2 ZINC000608435329 1033686838 /nfs/dbraw/zinc/68/68/38/1033686838.db2.gz GUDGPFQDLZLVFY-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H](CC1CC1)c1ccccc1 ZINC000608436596 1033689025 /nfs/dbraw/zinc/68/90/25/1033689025.db2.gz NFZSNHCOWYXKOO-GOSISDBHSA-N 1 2 338.455 3.724 20 0 EHADLO Cc1cc(F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000529250038 1033693987 /nfs/dbraw/zinc/69/39/87/1033693987.db2.gz IDHFZHMZQHKKIJ-GFCCVEGCSA-N 1 2 348.809 3.583 20 0 EHADLO Cc1cccc(C)c1NC(=S)NCc1ccccc1-n1cc[nH+]c1 ZINC000063790394 1033701047 /nfs/dbraw/zinc/70/10/47/1033701047.db2.gz CDHLWNBJNDPVCF-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCCC1 ZINC000046019268 1033713730 /nfs/dbraw/zinc/71/37/30/1033713730.db2.gz WEODBXYVOAKEEA-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)c1 ZINC000120355005 1033724565 /nfs/dbraw/zinc/72/45/65/1033724565.db2.gz IIZRWPFPFWXVOW-CQSZACIVSA-N 1 2 345.786 3.636 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)c1 ZINC000120355005 1033724579 /nfs/dbraw/zinc/72/45/79/1033724579.db2.gz IIZRWPFPFWXVOW-CQSZACIVSA-N 1 2 345.786 3.636 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)cc2cccnc21 ZINC000136173017 1033753368 /nfs/dbraw/zinc/75/33/68/1033753368.db2.gz NEAVEADSJACNBP-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO Cc1ccc(CN(C(=O)CCCn2cc[nH+]c2)c2ccc(F)cc2)o1 ZINC000595362424 1033780397 /nfs/dbraw/zinc/78/03/97/1033780397.db2.gz VCQYZHDDAFVCPM-UHFFFAOYSA-N 1 2 341.386 3.937 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000063858861 1033792022 /nfs/dbraw/zinc/79/20/22/1033792022.db2.gz UGGDTJBXUJGKME-AWEZNQCLSA-N 1 2 337.880 3.530 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000063858861 1033792034 /nfs/dbraw/zinc/79/20/34/1033792034.db2.gz UGGDTJBXUJGKME-AWEZNQCLSA-N 1 2 337.880 3.530 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC12CCCCC2 ZINC000533979081 1033819103 /nfs/dbraw/zinc/81/91/03/1033819103.db2.gz GFBLXRVVEDNSHL-UHFFFAOYSA-N 1 2 338.455 3.881 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000599295981 1033859684 /nfs/dbraw/zinc/85/96/84/1033859684.db2.gz FAJHFDZHSLGVGS-CQSZACIVSA-N 1 2 335.860 3.886 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000599295981 1033859701 /nfs/dbraw/zinc/85/97/01/1033859701.db2.gz FAJHFDZHSLGVGS-CQSZACIVSA-N 1 2 335.860 3.886 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921035 1033880261 /nfs/dbraw/zinc/88/02/61/1033880261.db2.gz AAZNKTNDZUBNDD-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO O=C1CCCN1CCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450207469 1033894469 /nfs/dbraw/zinc/89/44/69/1033894469.db2.gz FDEWULHUMSKFFO-UHFFFAOYSA-N 1 2 337.345 3.678 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC13CCCCC3)C2 ZINC000476484628 1033933555 /nfs/dbraw/zinc/93/35/55/1033933555.db2.gz OXTVOOPYTBTWAL-OAHLLOKOSA-N 1 2 329.488 3.963 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC13CCCCC3)CC2 ZINC000476484628 1033933564 /nfs/dbraw/zinc/93/35/64/1033933564.db2.gz OXTVOOPYTBTWAL-OAHLLOKOSA-N 1 2 329.488 3.963 20 0 EHADLO Cc1ccoc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529418420 1033939978 /nfs/dbraw/zinc/93/99/78/1033939978.db2.gz NGNMPMXBDZVYFA-MRXNPFEDSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccoc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529418420 1033939983 /nfs/dbraw/zinc/93/99/83/1033939983.db2.gz NGNMPMXBDZVYFA-MRXNPFEDSA-N 1 2 332.831 3.522 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](c2ccccc2F)C(C)C)cs1 ZINC000595689674 1033947678 /nfs/dbraw/zinc/94/76/78/1033947678.db2.gz DAYRUVBJAAEAEE-OAHLLOKOSA-N 1 2 336.432 3.946 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(Br)c(F)c1 ZINC000658103520 1033950749 /nfs/dbraw/zinc/95/07/49/1033950749.db2.gz VWUYOIDCBXBMHV-ZDMBXUJBSA-N 1 2 339.212 3.536 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2occc2Br)c1 ZINC000227365268 1033952720 /nfs/dbraw/zinc/95/27/20/1033952720.db2.gz NYLSGOSUSASFIM-SNVBAGLBSA-N 1 2 337.217 3.851 20 0 EHADLO CC(C)(C[NH2+]Cc1ccn[nH]1)Sc1ccc(Br)cc1 ZINC000174603509 1033999125 /nfs/dbraw/zinc/99/91/25/1033999125.db2.gz PAPAJWVPCFNEJX-UHFFFAOYSA-N 1 2 340.290 3.833 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1OCc1ccncc1 ZINC000603884623 1034009304 /nfs/dbraw/zinc/00/93/04/1034009304.db2.gz YVATYRUTPZSKRL-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC(C)c1c(C(=O)Nc2ccc3[nH+]ccn3c2)cnn1-c1ccccc1 ZINC000603884269 1034010616 /nfs/dbraw/zinc/01/06/16/1034010616.db2.gz FEHIZCGVTGHMEO-UHFFFAOYSA-N 1 2 345.406 3.896 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](c2ccccc2C)C2CCC(C)CC2)n1 ZINC000658158601 1034016572 /nfs/dbraw/zinc/01/65/72/1034016572.db2.gz HMOPHBNAKPVTJO-QJXPYNDKSA-N 1 2 342.487 3.917 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)C2CCC(C)CC2)n1 ZINC000658158602 1034016885 /nfs/dbraw/zinc/01/68/85/1034016885.db2.gz HMOPHBNAKPVTJO-SGHGTVFPSA-N 1 2 342.487 3.917 20 0 EHADLO CSc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccn1 ZINC000101665714 1034026029 /nfs/dbraw/zinc/02/60/29/1034026029.db2.gz QQJLBNBGVBTHRU-UHFFFAOYSA-N 1 2 344.827 3.895 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)cs1 ZINC000595911516 1034028214 /nfs/dbraw/zinc/02/82/14/1034028214.db2.gz XYKNEJABGYFGCT-GOSISDBHSA-N 1 2 330.453 3.735 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000056817574 1034048026 /nfs/dbraw/zinc/04/80/26/1034048026.db2.gz AHIKAGDCRMNXNP-LPHOPBHVSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H]1CC=C(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000456024571 1034060396 /nfs/dbraw/zinc/06/03/96/1034060396.db2.gz BBUPZEPSXXPNGY-ZDUSSCGKSA-N 1 2 329.831 3.888 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000603944161 1034060715 /nfs/dbraw/zinc/06/07/15/1034060715.db2.gz IGXVRBKFRQQAAI-GOSISDBHSA-N 1 2 330.378 3.913 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000603944161 1034060732 /nfs/dbraw/zinc/06/07/32/1034060732.db2.gz IGXVRBKFRQQAAI-GOSISDBHSA-N 1 2 330.378 3.913 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cc(F)ccc1Nc1ccc(F)cc1F ZINC000119160801 1034091082 /nfs/dbraw/zinc/09/10/82/1034091082.db2.gz WVVDLOIJJLMNDJ-UHFFFAOYSA-N 1 2 346.312 3.683 20 0 EHADLO CCCOc1ccc(CNc2cc(CC(=O)OC)cc[nH+]2)c(C)c1 ZINC000596208442 1034119764 /nfs/dbraw/zinc/11/97/64/1034119764.db2.gz YYTUIDNQZGMTOD-UHFFFAOYSA-N 1 2 328.412 3.506 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C)c(OC(F)F)c3)[nH+]c12 ZINC000604014359 1034139503 /nfs/dbraw/zinc/13/95/03/1034139503.db2.gz RNQZQPQYXCDLFD-UHFFFAOYSA-N 1 2 345.349 3.734 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000119399075 1034140919 /nfs/dbraw/zinc/14/09/19/1034140919.db2.gz CQICLNOCSIRQBJ-HQRMLTQVSA-N 1 2 337.467 3.754 20 0 EHADLO Cc1nnsc1[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000929176649 1034159155 /nfs/dbraw/zinc/15/91/55/1034159155.db2.gz AAWUPMVXOCZTKU-QMMMGPOBSA-N 1 2 332.292 3.864 20 0 EHADLO Cc1nnsc1[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000929176649 1034159163 /nfs/dbraw/zinc/15/91/63/1034159163.db2.gz AAWUPMVXOCZTKU-QMMMGPOBSA-N 1 2 332.292 3.864 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccsc1Br ZINC000529536032 1034163224 /nfs/dbraw/zinc/16/32/24/1034163224.db2.gz WUHVMNPFCUSDGF-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1Br ZINC000529536032 1034163233 /nfs/dbraw/zinc/16/32/33/1034163233.db2.gz WUHVMNPFCUSDGF-AWEZNQCLSA-N 1 2 338.270 3.602 20 0 EHADLO Cc1noc(C2(C)CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)n1 ZINC000529539502 1034169937 /nfs/dbraw/zinc/16/99/37/1034169937.db2.gz ASPFPKRKVTUVRX-UHFFFAOYSA-N 1 2 341.789 3.863 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc2n(n1)CCCC2 ZINC000658329331 1034181759 /nfs/dbraw/zinc/18/17/59/1034181759.db2.gz LCXRPVHVUKNUGD-LLVKDONJSA-N 1 2 339.361 3.811 20 0 EHADLO c1cc(CSCC[C@H]2CCCCO2)cc(C[NH+]2CCOCC2)c1 ZINC000596375869 1034212518 /nfs/dbraw/zinc/21/25/18/1034212518.db2.gz XSLUZLDHKJFJBT-LJQANCHMSA-N 1 2 335.513 3.711 20 0 EHADLO CCOC[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529597329 1034236594 /nfs/dbraw/zinc/23/65/94/1034236594.db2.gz GSWDTYXMIGFTLC-GFCCVEGCSA-N 1 2 347.684 3.889 20 0 EHADLO CCOC[C@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529597329 1034236599 /nfs/dbraw/zinc/23/65/99/1034236599.db2.gz GSWDTYXMIGFTLC-GFCCVEGCSA-N 1 2 347.684 3.889 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000612133808 1034239137 /nfs/dbraw/zinc/23/91/37/1034239137.db2.gz VDGOGQPCBHSVBL-UHFFFAOYSA-N 1 2 338.451 3.779 20 0 EHADLO Cn1cc(-c2nc(C[NH+]3CC(c4ccc(Cl)cc4)C3)cs2)cn1 ZINC000529598161 1034239262 /nfs/dbraw/zinc/23/92/62/1034239262.db2.gz ZCLPBIPBDPWXBP-UHFFFAOYSA-N 1 2 344.871 3.796 20 0 EHADLO COCCSc1ccc([C@@H](C)Nc2[nH+]c3ccccc3n2C)cc1 ZINC000534242434 1034287534 /nfs/dbraw/zinc/28/75/34/1034287534.db2.gz CWKJUXXNBJNITR-CQSZACIVSA-N 1 2 341.480 3.907 20 0 EHADLO O=C(c1nc2ccccc2cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685707888 1034292473 /nfs/dbraw/zinc/29/24/73/1034292473.db2.gz KMJRIFCOSIJKOK-AWEZNQCLSA-N 1 2 340.814 3.562 20 0 EHADLO CCc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450416254 1034301828 /nfs/dbraw/zinc/30/18/28/1034301828.db2.gz GLBPPCWERGZMOX-CQSZACIVSA-N 1 2 327.350 3.938 20 0 EHADLO CCc1ccc([C@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450416254 1034301843 /nfs/dbraw/zinc/30/18/43/1034301843.db2.gz GLBPPCWERGZMOX-CQSZACIVSA-N 1 2 327.350 3.938 20 0 EHADLO C[C@@H](O)C[C@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450434777 1034320402 /nfs/dbraw/zinc/32/04/02/1034320402.db2.gz HCMCNSJLPBIGAV-DTWKUNHWSA-N 1 2 327.197 3.708 20 0 EHADLO CC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000450437417 1034329362 /nfs/dbraw/zinc/32/93/62/1034329362.db2.gz KMKHQTRFCQYCPJ-JLTOFOAXSA-N 1 2 327.399 3.990 20 0 EHADLO CC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000450437417 1034329372 /nfs/dbraw/zinc/32/93/72/1034329372.db2.gz KMKHQTRFCQYCPJ-JLTOFOAXSA-N 1 2 327.399 3.990 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000450439952 1034334352 /nfs/dbraw/zinc/33/43/52/1034334352.db2.gz PIYHUSIKZVJHSO-ZDUSSCGKSA-N 1 2 348.493 3.544 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000450439952 1034334365 /nfs/dbraw/zinc/33/43/65/1034334365.db2.gz PIYHUSIKZVJHSO-ZDUSSCGKSA-N 1 2 348.493 3.544 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCCCCC1 ZINC000121041370 1034359513 /nfs/dbraw/zinc/35/95/13/1034359513.db2.gz GKHKIPDXZCPHJL-OAHLLOKOSA-N 1 2 337.533 3.970 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000121041370 1034359529 /nfs/dbraw/zinc/35/95/29/1034359529.db2.gz GKHKIPDXZCPHJL-OAHLLOKOSA-N 1 2 337.533 3.970 20 0 EHADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601318267 1034450630 /nfs/dbraw/zinc/45/06/30/1034450630.db2.gz LVSKKZOICYIUTJ-SUMWQHHRSA-N 1 2 349.377 3.739 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393583 1034470559 /nfs/dbraw/zinc/47/05/59/1034470559.db2.gz SOUZHSRGLFQXRR-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534393583 1034470571 /nfs/dbraw/zinc/47/05/71/1034470571.db2.gz SOUZHSRGLFQXRR-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394485 1034473277 /nfs/dbraw/zinc/47/32/77/1034473277.db2.gz JYAKDJAAEGSCPG-IAGOWNOFSA-N 1 2 336.838 3.841 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394485 1034473290 /nfs/dbraw/zinc/47/32/90/1034473290.db2.gz JYAKDJAAEGSCPG-IAGOWNOFSA-N 1 2 336.838 3.841 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000359429496 1034475394 /nfs/dbraw/zinc/47/53/94/1034475394.db2.gz SWCHVWNCKUBBRK-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000359429496 1034475402 /nfs/dbraw/zinc/47/54/02/1034475402.db2.gz SWCHVWNCKUBBRK-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC000121173873 1034485800 /nfs/dbraw/zinc/48/58/00/1034485800.db2.gz UXJVZSCPIGCVHT-HNNXBMFYSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000121173873 1034485805 /nfs/dbraw/zinc/48/58/05/1034485805.db2.gz UXJVZSCPIGCVHT-HNNXBMFYSA-N 1 2 337.533 3.826 20 0 EHADLO C[C@](Cc1ccccc1)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000636032772 1034496710 /nfs/dbraw/zinc/49/67/10/1034496710.db2.gz BSPQRRFGSUMTSS-WOIUINJBSA-N 1 2 345.446 3.788 20 0 EHADLO C[C@](Cc1ccccc1)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000636032772 1034496718 /nfs/dbraw/zinc/49/67/18/1034496718.db2.gz BSPQRRFGSUMTSS-WOIUINJBSA-N 1 2 345.446 3.788 20 0 EHADLO Cc1cnn([C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)c1 ZINC000450542014 1034498754 /nfs/dbraw/zinc/49/87/54/1034498754.db2.gz ULWUXMYMFZDHTI-LBPRGKRZSA-N 1 2 330.794 3.984 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000604847529 1034523957 /nfs/dbraw/zinc/52/39/57/1034523957.db2.gz HTOURVCDFDCLDR-WMZOPIPTSA-N 1 2 330.472 3.674 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604864660 1034533926 /nfs/dbraw/zinc/53/39/26/1034533926.db2.gz MOLQPHUIKPQXSE-YTQUADARSA-N 1 2 325.456 3.877 20 0 EHADLO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000007683391 1034546853 /nfs/dbraw/zinc/54/68/53/1034546853.db2.gz MBXIWNYVGUAYRP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000007683391 1034546864 /nfs/dbraw/zinc/54/68/64/1034546864.db2.gz MBXIWNYVGUAYRP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO c1ccc(N2CCCC2)c(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000601509813 1034561951 /nfs/dbraw/zinc/56/19/51/1034561951.db2.gz YPTKAJMDBAUMJY-UHFFFAOYSA-N 1 2 337.471 3.679 20 0 EHADLO c1ccc(N2CCCC2)c(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000601509813 1034561961 /nfs/dbraw/zinc/56/19/61/1034561961.db2.gz YPTKAJMDBAUMJY-UHFFFAOYSA-N 1 2 337.471 3.679 20 0 EHADLO c1cc([C@@H]2CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)[nH]n1 ZINC000121220312 1034567242 /nfs/dbraw/zinc/56/72/42/1034567242.db2.gz YSTNTHKTKRPCOC-QGZVFWFLSA-N 1 2 348.450 3.763 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000450637987 1034626024 /nfs/dbraw/zinc/62/60/24/1034626024.db2.gz RQPJCOHMPAIIIP-HNNXBMFYSA-N 1 2 346.519 3.841 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528862 1034647139 /nfs/dbraw/zinc/64/71/39/1034647139.db2.gz WEILJBQKLONHDO-OKZBNKHCSA-N 1 2 347.528 3.544 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1F ZINC000605155195 1034654632 /nfs/dbraw/zinc/65/46/32/1034654632.db2.gz KXGSFJTYCSPIHB-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1F ZINC000605155195 1034654646 /nfs/dbraw/zinc/65/46/46/1034654646.db2.gz KXGSFJTYCSPIHB-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000605156229 1034655261 /nfs/dbraw/zinc/65/52/61/1034655261.db2.gz NVXDWNOBWUFUMT-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000605156229 1034655276 /nfs/dbraw/zinc/65/52/76/1034655276.db2.gz NVXDWNOBWUFUMT-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155979 1034655680 /nfs/dbraw/zinc/65/56/80/1034655680.db2.gz FZWJESJVZVASLP-KSSFIOAISA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155979 1034655689 /nfs/dbraw/zinc/65/56/89/1034655689.db2.gz FZWJESJVZVASLP-KSSFIOAISA-N 1 2 344.455 3.943 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000612267183 1034679756 /nfs/dbraw/zinc/67/97/56/1034679756.db2.gz PQEGIOOWSAHART-CHWSQXEVSA-N 1 2 337.345 3.657 20 0 EHADLO O=C(c1cccc(Nc2ccccc2)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000605303214 1034682679 /nfs/dbraw/zinc/68/26/79/1034682679.db2.gz IJVISHOGKLRFHJ-UHFFFAOYSA-N 1 2 345.402 3.729 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3C[C@@H](F)[C@@H](F)C3)c12 ZINC000450708247 1034722608 /nfs/dbraw/zinc/72/26/08/1034722608.db2.gz JMKGRJIQOACGBA-AOOOYVTPSA-N 1 2 331.135 3.633 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000456776370 1034722734 /nfs/dbraw/zinc/72/27/34/1034722734.db2.gz QTVRNCZDVATPNC-CMKODMSKSA-N 1 2 337.467 3.536 20 0 EHADLO Fc1cc2[nH+]ccc(N3C[C@@H](F)[C@@H](F)C3)c2cc1Br ZINC000450710220 1034724374 /nfs/dbraw/zinc/72/43/74/1034724374.db2.gz NCIITTCMRCDNIF-PHIMTYICSA-N 1 2 331.135 3.633 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccccc1Cc1ccccc1 ZINC000605392406 1034726534 /nfs/dbraw/zinc/72/65/34/1034726534.db2.gz HGDHPRBVULHRQK-UHFFFAOYSA-N 1 2 345.446 3.904 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc2occc2s1 ZINC000605460031 1034744191 /nfs/dbraw/zinc/74/41/91/1034744191.db2.gz IKFYKBXMVLOFGZ-UHFFFAOYSA-N 1 2 342.420 3.579 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](OCC)[C@H](C)C1 ZINC000450744342 1034748819 /nfs/dbraw/zinc/74/88/19/1034748819.db2.gz MFKFUAUVPKFOLG-KDOFPFPSSA-N 1 2 342.439 3.663 20 0 EHADLO OCCC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000605427817 1034751158 /nfs/dbraw/zinc/75/11/58/1034751158.db2.gz YTHDJYXTLSUHRF-UHFFFAOYSA-N 1 2 336.888 3.734 20 0 EHADLO OCCC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000605427817 1034751173 /nfs/dbraw/zinc/75/11/73/1034751173.db2.gz YTHDJYXTLSUHRF-UHFFFAOYSA-N 1 2 336.888 3.734 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2sccc2Cl)CC1 ZINC000558831842 1034762630 /nfs/dbraw/zinc/76/26/30/1034762630.db2.gz PWEJRTGRCQKXLZ-UHFFFAOYSA-N 1 2 336.888 3.728 20 0 EHADLO Cc1cc(C)c(CNC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456829473 1034774553 /nfs/dbraw/zinc/77/45/53/1034774553.db2.gz CDJNUDDPRVFILU-CYBMUJFWSA-N 1 2 344.842 3.877 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c3c(nc4ccccc42)CCC3)c[nH+]1 ZINC000456863549 1034798031 /nfs/dbraw/zinc/79/80/31/1034798031.db2.gz REIJJPXNKCOWHF-UHFFFAOYSA-N 1 2 331.419 3.665 20 0 EHADLO CCCOc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1OCC ZINC000456868019 1034799409 /nfs/dbraw/zinc/79/94/09/1034799409.db2.gz WVCYDYJKFXGDEA-UHFFFAOYSA-N 1 2 342.439 3.816 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C)n1cc[nH+]c1 ZINC000529943875 1034806330 /nfs/dbraw/zinc/80/63/30/1034806330.db2.gz TURVKLFDGLBUIF-YOEHRIQHSA-N 1 2 329.419 3.768 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2cccc(Br)c2C)c[nH+]1 ZINC000456851644 1034809851 /nfs/dbraw/zinc/80/98/51/1034809851.db2.gz WVLFRZJMBUURBJ-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Fc1ccc(C[C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000605698685 1034820021 /nfs/dbraw/zinc/82/00/21/1034820021.db2.gz KZRXJISFPOLVHD-QGZVFWFLSA-N 1 2 340.446 3.675 20 0 EHADLO Fc1ccc(C[C@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000605698685 1034820035 /nfs/dbraw/zinc/82/00/35/1034820035.db2.gz KZRXJISFPOLVHD-QGZVFWFLSA-N 1 2 340.446 3.675 20 0 EHADLO C[C@H]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000612347641 1034823937 /nfs/dbraw/zinc/82/39/37/1034823937.db2.gz PDWVNSZBXKTXEM-KBPBESRZSA-N 1 2 343.393 3.805 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3C)n2)c1 ZINC000450846246 1034856742 /nfs/dbraw/zinc/85/67/42/1034856742.db2.gz OEWNJLURWZTMHG-UHFFFAOYSA-N 1 2 326.375 3.520 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3C)n2)c1 ZINC000450846246 1034856751 /nfs/dbraw/zinc/85/67/51/1034856751.db2.gz OEWNJLURWZTMHG-UHFFFAOYSA-N 1 2 326.375 3.520 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1 ZINC000892492370 1034873152 /nfs/dbraw/zinc/87/31/52/1034873152.db2.gz ONGUOSKZKANOFO-UHFFFAOYSA-N 1 2 332.473 3.546 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000530036783 1034889305 /nfs/dbraw/zinc/88/93/05/1034889305.db2.gz FHBSJHSTUSYNTN-WMLDXEAASA-N 1 2 329.419 3.768 20 0 EHADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cc3c(cc1Cl)CCC3)C2 ZINC000530021280 1034900323 /nfs/dbraw/zinc/90/03/23/1034900323.db2.gz ODOJENQZJXARSK-ZDUSSCGKSA-N 1 2 329.831 3.604 20 0 EHADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cc3c(cc1Cl)CCC3)CC2 ZINC000530021280 1034900329 /nfs/dbraw/zinc/90/03/29/1034900329.db2.gz ODOJENQZJXARSK-ZDUSSCGKSA-N 1 2 329.831 3.604 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000375921963 1034926711 /nfs/dbraw/zinc/92/67/11/1034926711.db2.gz XZEYQNIKVYYDCA-CJNGLKHVSA-N 1 2 345.418 3.828 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000375921963 1034926717 /nfs/dbraw/zinc/92/67/17/1034926717.db2.gz XZEYQNIKVYYDCA-CJNGLKHVSA-N 1 2 345.418 3.828 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530099052 1034960690 /nfs/dbraw/zinc/96/06/90/1034960690.db2.gz PAJIVEAVQQVBKD-ZIAGYGMSSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530099052 1034960697 /nfs/dbraw/zinc/96/06/97/1034960697.db2.gz PAJIVEAVQQVBKD-ZIAGYGMSSA-N 1 2 347.409 3.657 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933840 1034980427 /nfs/dbraw/zinc/98/04/27/1034980427.db2.gz JTXYQIHXRLOMFW-GJZGRUSLSA-N 1 2 341.373 3.955 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548933840 1034980437 /nfs/dbraw/zinc/98/04/37/1034980437.db2.gz JTXYQIHXRLOMFW-GJZGRUSLSA-N 1 2 341.373 3.955 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977863 1035007419 /nfs/dbraw/zinc/00/74/19/1035007419.db2.gz KDWCYJVTMLDISJ-DNVCBOLYSA-N 1 2 340.471 3.670 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977863 1035007429 /nfs/dbraw/zinc/00/74/29/1035007429.db2.gz KDWCYJVTMLDISJ-DNVCBOLYSA-N 1 2 340.471 3.670 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CCc3ccccc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000451040694 1035040143 /nfs/dbraw/zinc/04/01/43/1035040143.db2.gz HEELVKXSTLHHAP-PMACEKPBSA-N 1 2 339.483 3.515 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CCc3ccccc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000451040694 1035040152 /nfs/dbraw/zinc/04/01/52/1035040152.db2.gz HEELVKXSTLHHAP-PMACEKPBSA-N 1 2 339.483 3.515 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451023628 1035042703 /nfs/dbraw/zinc/04/27/03/1035042703.db2.gz LBPJWDPHVJWCEV-MRXNPFEDSA-N 1 2 335.451 3.760 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023628 1035042715 /nfs/dbraw/zinc/04/27/15/1035042715.db2.gz LBPJWDPHVJWCEV-MRXNPFEDSA-N 1 2 335.451 3.760 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451026538 1035047120 /nfs/dbraw/zinc/04/71/20/1035047120.db2.gz TZTWUZQRLSZGSO-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451026538 1035047130 /nfs/dbraw/zinc/04/71/30/1035047130.db2.gz TZTWUZQRLSZGSO-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000343827241 1035116135 /nfs/dbraw/zinc/11/61/35/1035116135.db2.gz AICWHAIDJCZWTM-PVBMHHQDSA-N 1 2 348.415 3.750 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c(N(C)C)[nH+]1 ZINC000162261779 1035219462 /nfs/dbraw/zinc/21/94/62/1035219462.db2.gz YLRDJZWXWZNOAS-LBPRGKRZSA-N 1 2 348.397 3.959 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000177711718 1035338131 /nfs/dbraw/zinc/33/81/31/1035338131.db2.gz ZGVINWOYGRAGFA-GHXNOFRVSA-N 1 2 348.661 3.705 20 0 EHADLO COc1ccc(C)cc1Cc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923781688 1035364003 /nfs/dbraw/zinc/36/40/03/1035364003.db2.gz XMBWGRKMPJWOAH-MRXNPFEDSA-N 1 2 340.427 3.809 20 0 EHADLO FC(F)(F)Oc1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC001218010066 1035366610 /nfs/dbraw/zinc/36/66/10/1035366610.db2.gz KXCWJIVPEZHIEO-JTQLQIEISA-N 1 2 331.668 3.615 20 0 EHADLO O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001125807264 1035423071 /nfs/dbraw/zinc/42/30/71/1035423071.db2.gz ZPYACQLQKRTOAM-ZWKOTPCHSA-N 1 2 333.435 3.866 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(OC(C)C)c2)s1 ZINC000414064672 1035429413 /nfs/dbraw/zinc/42/94/13/1035429413.db2.gz FYVBILLOYXEQNS-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)CC(C)(C)C ZINC000613175190 1035438955 /nfs/dbraw/zinc/43/89/55/1035438955.db2.gz OPXZZWCNVPKMBR-SFHVURJKSA-N 1 2 346.515 3.672 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1csc(-c2ccccc2)n1)C(=O)NC(C)(C)C ZINC000414073980 1035447641 /nfs/dbraw/zinc/44/76/41/1035447641.db2.gz MLABZJLHJWNZRF-CHWSQXEVSA-N 1 2 331.485 3.764 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(N(C)C)sc2=S)c1 ZINC000066448333 1035470914 /nfs/dbraw/zinc/47/09/14/1035470914.db2.gz GTFTZILOBWCFNE-CQSZACIVSA-N 1 2 334.514 3.843 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(N(C)C)sc2=S)c1 ZINC000066448333 1035470917 /nfs/dbraw/zinc/47/09/17/1035470917.db2.gz GTFTZILOBWCFNE-CQSZACIVSA-N 1 2 334.514 3.843 20 0 EHADLO CCc1ccc([C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000161741950 1035475533 /nfs/dbraw/zinc/47/55/33/1035475533.db2.gz XRSPPKDLLNLPFR-MJGOQNOKSA-N 1 2 325.456 3.521 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(OCC(F)(F)F)c1 ZINC000414091669 1035476014 /nfs/dbraw/zinc/47/60/14/1035476014.db2.gz DUSRNWLESAAWOJ-GFCCVEGCSA-N 1 2 327.350 3.520 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492231031 1035504497 /nfs/dbraw/zinc/50/44/97/1035504497.db2.gz GUOYMHHANNFPKB-QXPKXGMISA-N 1 2 341.455 3.622 20 0 EHADLO O=C(/C=C\C1CCOCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492246944 1035523854 /nfs/dbraw/zinc/52/38/54/1035523854.db2.gz FLQXPTUMKYTWEN-FPLPWBNLSA-N 1 2 349.434 3.523 20 0 EHADLO Cc1ccc(-c2nnc(NCc3c[nH+]c4c(C)cccn34)o2)s1 ZINC000185906995 1035536585 /nfs/dbraw/zinc/53/65/85/1035536585.db2.gz FZVXFYNFBKNOKG-UHFFFAOYSA-N 1 2 325.397 3.675 20 0 EHADLO Cn1c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)nnc1-c1ccccc1 ZINC000186160968 1035595783 /nfs/dbraw/zinc/59/57/83/1035595783.db2.gz XCLCXKWDVKTKBB-UHFFFAOYSA-N 1 2 330.435 3.530 20 0 EHADLO Cn1c(C[N@H+]2Cc3ccccc3C3(CC3)C2)nnc1-c1ccccc1 ZINC000186160968 1035595790 /nfs/dbraw/zinc/59/57/90/1035595790.db2.gz XCLCXKWDVKTKBB-UHFFFAOYSA-N 1 2 330.435 3.530 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431813746 1035674019 /nfs/dbraw/zinc/67/40/19/1035674019.db2.gz RBFGVCOIKZUICB-UHFFFAOYSA-N 1 2 346.519 3.943 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000588170144 1035795099 /nfs/dbraw/zinc/79/50/99/1035795099.db2.gz LGPSKGSOIAHEAC-UHFFFAOYSA-N 1 2 328.456 3.874 20 0 EHADLO Cc1cnn(CCCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187278596 1035804183 /nfs/dbraw/zinc/80/41/83/1035804183.db2.gz UEHAVRHCDMJIPE-IBGZPJMESA-N 1 2 349.425 3.714 20 0 EHADLO Cc1cnn(CCCCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187278596 1035804214 /nfs/dbraw/zinc/80/42/14/1035804214.db2.gz UEHAVRHCDMJIPE-IBGZPJMESA-N 1 2 349.425 3.714 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000187433592 1035820097 /nfs/dbraw/zinc/82/00/97/1035820097.db2.gz KCCKYVNJDSICKZ-IRXDYDNUSA-N 1 2 332.492 3.835 20 0 EHADLO FC(F)(F)[C@H](C[NH2+][C@H]1COCc2cccc(Cl)c21)n1cccn1 ZINC000926746103 1035820711 /nfs/dbraw/zinc/82/07/11/1035820711.db2.gz KIDLHUQLKCRTKI-STQMWFEESA-N 1 2 345.752 3.501 20 0 EHADLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC(C)C)c1 ZINC000055904529 1035825398 /nfs/dbraw/zinc/82/53/98/1035825398.db2.gz RNUJIRGEOWNFNW-UHFFFAOYSA-N 1 2 336.435 3.526 20 0 EHADLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OC(C)C)c1 ZINC000055904529 1035825421 /nfs/dbraw/zinc/82/54/21/1035825421.db2.gz RNUJIRGEOWNFNW-UHFFFAOYSA-N 1 2 336.435 3.526 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000669887378 1035858029 /nfs/dbraw/zinc/85/80/29/1035858029.db2.gz NPDONYACOPULOT-KBPBESRZSA-N 1 2 349.525 3.959 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000534964732 1035867021 /nfs/dbraw/zinc/86/70/21/1035867021.db2.gz AQIPCVOKTXRZMT-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000534964732 1035867041 /nfs/dbraw/zinc/86/70/41/1035867041.db2.gz AQIPCVOKTXRZMT-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO COc1ccc(OC2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000613457702 1035950839 /nfs/dbraw/zinc/95/08/39/1035950839.db2.gz XYORNGGTIQQOOO-CQSZACIVSA-N 1 2 345.443 3.806 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C)cs1)c1ccccc1F ZINC000174412090 1035959537 /nfs/dbraw/zinc/95/95/37/1035959537.db2.gz RBZOVTNSTGDIQA-GFCCVEGCSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C)cs1)c1ccccc1F ZINC000174412090 1035959552 /nfs/dbraw/zinc/95/95/52/1035959552.db2.gz RBZOVTNSTGDIQA-GFCCVEGCSA-N 1 2 333.432 3.951 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000613464406 1035963370 /nfs/dbraw/zinc/96/33/70/1035963370.db2.gz QTBNWLBEGXHGBM-GPMSIDNRSA-N 1 2 332.463 4.000 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000613464406 1035963388 /nfs/dbraw/zinc/96/33/88/1035963388.db2.gz QTBNWLBEGXHGBM-GPMSIDNRSA-N 1 2 332.463 4.000 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCn3c(C4CCCC4)nnc3[C@H]2C)cn1 ZINC000572080894 1035965818 /nfs/dbraw/zinc/96/58/18/1035965818.db2.gz OZOGTAMIZQHNHJ-MRXNPFEDSA-N 1 2 339.487 3.649 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCn3c(C4CCCC4)nnc3[C@H]2C)cn1 ZINC000572080894 1035965834 /nfs/dbraw/zinc/96/58/34/1035965834.db2.gz OZOGTAMIZQHNHJ-MRXNPFEDSA-N 1 2 339.487 3.649 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCn3c(C4CCCC4)nnc3[C@@H]2C)cn1 ZINC000572080876 1035966562 /nfs/dbraw/zinc/96/65/62/1035966562.db2.gz OZOGTAMIZQHNHJ-INIZCTEOSA-N 1 2 339.487 3.649 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCn3c(C4CCCC4)nnc3[C@@H]2C)cn1 ZINC000572080876 1035966576 /nfs/dbraw/zinc/96/65/76/1035966576.db2.gz OZOGTAMIZQHNHJ-INIZCTEOSA-N 1 2 339.487 3.649 20 0 EHADLO CCc1cccc(N(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457330390 1035998040 /nfs/dbraw/zinc/99/80/40/1035998040.db2.gz RKXSHTHZBGJBPC-HNNXBMFYSA-N 1 2 325.456 3.863 20 0 EHADLO CCc1cccc(N(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457330390 1035998049 /nfs/dbraw/zinc/99/80/49/1035998049.db2.gz RKXSHTHZBGJBPC-HNNXBMFYSA-N 1 2 325.456 3.863 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000414213942 1036094034 /nfs/dbraw/zinc/09/40/34/1036094034.db2.gz VCBULPCRUNLUDL-ZDUSSCGKSA-N 1 2 343.862 3.901 20 0 EHADLO C[C@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000541219417 1036099419 /nfs/dbraw/zinc/09/94/19/1036099419.db2.gz MKGQFJYFFAPVRZ-QGZVFWFLSA-N 1 2 348.450 3.865 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2c1)NCc1cn2c([nH+]1)CCCC2 ZINC000492642380 1036121355 /nfs/dbraw/zinc/12/13/55/1036121355.db2.gz QFAOSTSVFFOXGT-PKNBQFBNSA-N 1 2 331.419 3.702 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000613502404 1036129089 /nfs/dbraw/zinc/12/90/89/1036129089.db2.gz NFAJKXBKIAGHIS-HNNXBMFYSA-N 1 2 339.439 3.766 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000613502404 1036129091 /nfs/dbraw/zinc/12/90/91/1036129091.db2.gz NFAJKXBKIAGHIS-HNNXBMFYSA-N 1 2 339.439 3.766 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000457514923 1036185836 /nfs/dbraw/zinc/18/58/36/1036185836.db2.gz GADHCVQWDQINCW-CHWSQXEVSA-N 1 2 346.368 3.619 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000376350268 1036229863 /nfs/dbraw/zinc/22/98/63/1036229863.db2.gz LERYZZSNMWEZCC-BFUOFWGJSA-N 1 2 339.439 3.744 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000170785663 1036233819 /nfs/dbraw/zinc/23/38/19/1036233819.db2.gz CQKZULFECXFWJH-GOSISDBHSA-N 1 2 348.450 3.828 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000170785663 1036233841 /nfs/dbraw/zinc/23/38/41/1036233841.db2.gz CQKZULFECXFWJH-GOSISDBHSA-N 1 2 348.450 3.828 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1nnnn1C1CC1 ZINC000190497383 1036246360 /nfs/dbraw/zinc/24/63/60/1036246360.db2.gz CLCALCMOGDXDFG-DTWKUNHWSA-N 1 2 326.231 3.727 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCC1 ZINC000457554233 1036250367 /nfs/dbraw/zinc/25/03/67/1036250367.db2.gz JWNITRJEZZWCJW-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190875421 1036284938 /nfs/dbraw/zinc/28/49/38/1036284938.db2.gz JKRPKDHNZAWTAV-UHFFFAOYSA-N 1 2 336.439 3.736 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000457616867 1036301259 /nfs/dbraw/zinc/30/12/59/1036301259.db2.gz AVAVLNQNARNIJP-UHFFFAOYSA-N 1 2 347.846 3.870 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000457616867 1036301280 /nfs/dbraw/zinc/30/12/80/1036301280.db2.gz AVAVLNQNARNIJP-UHFFFAOYSA-N 1 2 347.846 3.870 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c(C)c1 ZINC000414258994 1036324207 /nfs/dbraw/zinc/32/42/07/1036324207.db2.gz YABIPACIXHYACZ-LLVKDONJSA-N 1 2 325.334 3.663 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3(Cc4ccccc4)CCC3)[nH+]c12 ZINC000134159544 1036343267 /nfs/dbraw/zinc/34/32/67/1036343267.db2.gz ZTCASBFNEFKMBI-UHFFFAOYSA-N 1 2 347.462 3.714 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000414263138 1036344577 /nfs/dbraw/zinc/34/45/77/1036344577.db2.gz SGUDVZJDLJCTQZ-GFCCVEGCSA-N 1 2 327.737 3.926 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000584509076 1036348154 /nfs/dbraw/zinc/34/81/54/1036348154.db2.gz JPHSOQKGBWIUGX-RYRKJORJSA-N 1 2 332.492 3.835 20 0 EHADLO Clc1ccc([C@H]([NH2+]Cc2nc3ncccn3n2)C2CCCC2)cc1 ZINC000414266121 1036361189 /nfs/dbraw/zinc/36/11/89/1036361189.db2.gz HSIBWXPKHGQANY-QGZVFWFLSA-N 1 2 341.846 3.799 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1cccs1 ZINC000249730927 1036370622 /nfs/dbraw/zinc/37/06/22/1036370622.db2.gz TURCCLBMGVZYTC-BBRMVZONSA-N 1 2 332.444 3.902 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)c1cccs1 ZINC000249730927 1036370640 /nfs/dbraw/zinc/37/06/40/1036370640.db2.gz TURCCLBMGVZYTC-BBRMVZONSA-N 1 2 332.444 3.902 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000492904549 1036378269 /nfs/dbraw/zinc/37/82/69/1036378269.db2.gz XVFAWUZPRCTXKN-ZBTGYSDGSA-N 1 2 339.439 3.540 20 0 EHADLO CN(CCCc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000535366541 1036400242 /nfs/dbraw/zinc/40/02/42/1036400242.db2.gz VYOZVEXKWPRKAE-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000175563397 1036407094 /nfs/dbraw/zinc/40/70/94/1036407094.db2.gz FACHXSHGXPVTEQ-MRXNPFEDSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175562286 1036408015 /nfs/dbraw/zinc/40/80/15/1036408015.db2.gz ZXUGTZBBNVXKKR-CVEARBPZSA-N 1 2 328.460 3.555 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000457675011 1036409157 /nfs/dbraw/zinc/40/91/57/1036409157.db2.gz WTBFSTSDHLUASS-SFHVURJKSA-N 1 2 343.471 3.563 20 0 EHADLO CC(C)N(C)c1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cn1 ZINC000191559082 1036412356 /nfs/dbraw/zinc/41/23/56/1036412356.db2.gz HHYKIEAGAASOLH-UHFFFAOYSA-N 1 2 327.407 3.564 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000170893263 1036423196 /nfs/dbraw/zinc/42/31/96/1036423196.db2.gz PIEMAJGGKMTETK-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000191684689 1036434101 /nfs/dbraw/zinc/43/41/01/1036434101.db2.gz FBKZQMUQNKRIAT-UHFFFAOYSA-N 1 2 338.377 3.766 20 0 EHADLO Fc1cc(OCC[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1Cl ZINC000192065773 1036464171 /nfs/dbraw/zinc/46/41/71/1036464171.db2.gz QRZFJORCRLFPTQ-INIZCTEOSA-N 1 2 325.767 3.524 20 0 EHADLO Fc1cc(OCC[N@H+]2CCO[C@H](c3ccco3)C2)ccc1Cl ZINC000192065773 1036464176 /nfs/dbraw/zinc/46/41/76/1036464176.db2.gz QRZFJORCRLFPTQ-INIZCTEOSA-N 1 2 325.767 3.524 20 0 EHADLO O=C(c1ccccc1Oc1ccncc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669904910 1036468524 /nfs/dbraw/zinc/46/85/24/1036468524.db2.gz MHIHYPLXNCPUCP-INIZCTEOSA-N 1 2 348.406 3.548 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175852209 1036494063 /nfs/dbraw/zinc/49/40/63/1036494063.db2.gz UBHHDYRWBTUIQQ-MRXNPFEDSA-N 1 2 346.434 3.529 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175885441 1036510844 /nfs/dbraw/zinc/51/08/44/1036510844.db2.gz IIKLQLBXJLPJJH-IRXDYDNUSA-N 1 2 346.519 3.764 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000532402357 1036516027 /nfs/dbraw/zinc/51/60/27/1036516027.db2.gz HFYVLHODBBZMOU-UHFFFAOYSA-N 1 2 336.439 3.765 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000457811981 1036525557 /nfs/dbraw/zinc/52/55/57/1036525557.db2.gz ITLGHWOUWSAIJP-PBHICJAKSA-N 1 2 346.862 3.862 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000589601179 1036544974 /nfs/dbraw/zinc/54/49/74/1036544974.db2.gz IGYVEJWKAPJMFX-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000589601179 1036544994 /nfs/dbraw/zinc/54/49/94/1036544994.db2.gz IGYVEJWKAPJMFX-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000193005298 1036571163 /nfs/dbraw/zinc/57/11/63/1036571163.db2.gz XIDGLBVTCXSBDY-UHFFFAOYSA-N 1 2 340.254 3.711 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)n1 ZINC000646079850 1036580301 /nfs/dbraw/zinc/58/03/01/1036580301.db2.gz UIIUEBKNKAGYQD-KRWDZBQOSA-N 1 2 341.455 3.527 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000464587379 1036580391 /nfs/dbraw/zinc/58/03/91/1036580391.db2.gz NWHQPHNFHCIXOA-QGZVFWFLSA-N 1 2 349.434 3.529 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000464587379 1036580400 /nfs/dbraw/zinc/58/04/00/1036580400.db2.gz NWHQPHNFHCIXOA-QGZVFWFLSA-N 1 2 349.434 3.529 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343831589 1036587635 /nfs/dbraw/zinc/58/76/35/1036587635.db2.gz HPVNCEZXPSFMHI-QMMMGPOBSA-N 1 2 347.337 3.590 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C/c2cccc(F)c2)c1C ZINC000176267325 1036591624 /nfs/dbraw/zinc/59/16/24/1036591624.db2.gz RRYXRDUHJFYRLY-SOFGYWHQSA-N 1 2 342.414 3.908 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771524 1036641427 /nfs/dbraw/zinc/64/14/27/1036641427.db2.gz LGCKJDYJLUTGOG-DGCLKSJQSA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771524 1036641441 /nfs/dbraw/zinc/64/14/41/1036641441.db2.gz LGCKJDYJLUTGOG-DGCLKSJQSA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000535567560 1036658155 /nfs/dbraw/zinc/65/81/55/1036658155.db2.gz SEQUGHGBUDUZNK-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000535567560 1036658163 /nfs/dbraw/zinc/65/81/63/1036658163.db2.gz SEQUGHGBUDUZNK-HRAATJIYSA-N 1 2 340.467 3.518 20 0 EHADLO Cc1cccn2cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000007435019 1036671498 /nfs/dbraw/zinc/67/14/98/1036671498.db2.gz VWGVFEYAEGJEGI-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO C#CC[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032514278 1036738166 /nfs/dbraw/zinc/73/81/66/1036738166.db2.gz BZXMGQKHOLFNEL-INIZCTEOSA-N 1 2 332.325 3.608 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C2CC2)cc1 ZINC000186439794 1036773736 /nfs/dbraw/zinc/77/37/36/1036773736.db2.gz XIFBXRFUOCTXHJ-NRFANRHFSA-N 1 2 348.450 3.933 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470927771 1036784456 /nfs/dbraw/zinc/78/44/56/1036784456.db2.gz AUZNYBLSHGUYFN-ZWNOBZJWSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470927771 1036784480 /nfs/dbraw/zinc/78/44/80/1036784480.db2.gz AUZNYBLSHGUYFN-ZWNOBZJWSA-N 1 2 332.391 3.620 20 0 EHADLO COc1ccccc1C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000103035663 1036806418 /nfs/dbraw/zinc/80/64/18/1036806418.db2.gz UJUCTQXDGFZRCP-UHFFFAOYSA-N 1 2 335.407 3.546 20 0 EHADLO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1Cl ZINC001168183485 1036817399 /nfs/dbraw/zinc/81/73/99/1036817399.db2.gz AZIGHQIQYIXOPK-UHFFFAOYSA-N 1 2 349.858 3.711 20 0 EHADLO COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1Cl ZINC001168183485 1036817422 /nfs/dbraw/zinc/81/74/22/1036817422.db2.gz AZIGHQIQYIXOPK-UHFFFAOYSA-N 1 2 349.858 3.711 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(N(C)C)[nH+]1 ZINC000162422888 1036899179 /nfs/dbraw/zinc/89/91/79/1036899179.db2.gz MWMSKIVMGBNPHT-QGZVFWFLSA-N 1 2 342.418 3.964 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000493224272 1036937527 /nfs/dbraw/zinc/93/75/27/1036937527.db2.gz DBAGQTUWRICXII-UHFFFAOYSA-N 1 2 327.428 3.940 20 0 EHADLO C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1noc(Cc2ccccc2)n1 ZINC000493230738 1036949909 /nfs/dbraw/zinc/94/99/09/1036949909.db2.gz PJEYXHSCVIDRHB-IUDNXUCKSA-N 1 2 329.444 3.657 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000539601205 1036981902 /nfs/dbraw/zinc/98/19/02/1036981902.db2.gz RYOAESYKKYQBPW-UHFFFAOYSA-N 1 2 346.862 3.715 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000666420562 1037004750 /nfs/dbraw/zinc/00/47/50/1037004750.db2.gz FOBBPBAGQXKAQD-IYARVYRRSA-N 1 2 341.499 3.773 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590726284 1037005087 /nfs/dbraw/zinc/00/50/87/1037005087.db2.gz BEZCKVCPFHBALY-OAHLLOKOSA-N 1 2 329.469 3.861 20 0 EHADLO NC(=O)Cc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000685920985 1037032024 /nfs/dbraw/zinc/03/20/24/1037032024.db2.gz NYLAQKQLQRWBLZ-UHFFFAOYSA-N 1 2 325.799 3.528 20 0 EHADLO C[C@]12CC3CC(C(=O)NCc4ccn5cc[nH+]c5c4)(C1)C[C@@](C)(C3)C2 ZINC000178390915 1037033165 /nfs/dbraw/zinc/03/31/65/1037033165.db2.gz OSEGLCVPGTYDMN-SHYIKFMPSA-N 1 2 337.467 3.947 20 0 EHADLO CC(C)[C@@H](CC[N@H+](C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC000178468102 1037049033 /nfs/dbraw/zinc/04/90/33/1037049033.db2.gz IDSHOQFGCRGLRF-CQSZACIVSA-N 1 2 327.494 3.514 20 0 EHADLO CC(C)[C@@H](CC[N@@H+](C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC000178468102 1037049047 /nfs/dbraw/zinc/04/90/47/1037049047.db2.gz IDSHOQFGCRGLRF-CQSZACIVSA-N 1 2 327.494 3.514 20 0 EHADLO CCc1ncc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cn1 ZINC000414370450 1037054764 /nfs/dbraw/zinc/05/47/64/1037054764.db2.gz LTQNAGJIULHTNX-OAHLLOKOSA-N 1 2 344.890 3.571 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1C1CC1)c1cc(Cl)ccc1Cl ZINC000590789905 1037061796 /nfs/dbraw/zinc/06/17/96/1037061796.db2.gz ZIOZWWXSQYTXBE-AWEZNQCLSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1C1CC1)c1cc(Cl)ccc1Cl ZINC000590789905 1037061812 /nfs/dbraw/zinc/06/18/12/1037061812.db2.gz ZIOZWWXSQYTXBE-AWEZNQCLSA-N 1 2 348.295 3.642 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613537401 1037063027 /nfs/dbraw/zinc/06/30/27/1037063027.db2.gz LTYJFUMXMQZGCL-DLVXIWMQSA-N 1 2 337.467 3.600 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1[C@H](C)C1CC1 ZINC000539686382 1037070227 /nfs/dbraw/zinc/07/02/27/1037070227.db2.gz REGIWEDKQXXGAA-CYBMUJFWSA-N 1 2 335.411 3.805 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590845509 1037080477 /nfs/dbraw/zinc/08/04/77/1037080477.db2.gz XHYCWXZJEDRGMN-CZUORRHYSA-N 1 2 332.835 3.644 20 0 EHADLO CCCn1nc(C)c(CNc2[nH+]c3ccccc3n2CCC)c1C ZINC000539708389 1037094282 /nfs/dbraw/zinc/09/42/82/1037094282.db2.gz WWKARFMBDGQRQW-UHFFFAOYSA-N 1 2 325.460 3.704 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000104971351 1037116441 /nfs/dbraw/zinc/11/64/41/1037116441.db2.gz RWMHDXULPVPGNF-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000187067316 1037193132 /nfs/dbraw/zinc/19/31/32/1037193132.db2.gz CRXKZVLJSQVOAR-OAHLLOKOSA-N 1 2 339.361 3.639 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000462635111 1037213316 /nfs/dbraw/zinc/21/33/16/1037213316.db2.gz AFNWQTMSPFDQTP-DYVFJYSZSA-N 1 2 330.378 3.528 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1C ZINC000539838696 1037245274 /nfs/dbraw/zinc/24/52/74/1037245274.db2.gz LXHGIBGZWHWPTE-LJQANCHMSA-N 1 2 333.378 3.855 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1C ZINC000539838696 1037245283 /nfs/dbraw/zinc/24/52/83/1037245283.db2.gz LXHGIBGZWHWPTE-LJQANCHMSA-N 1 2 333.378 3.855 20 0 EHADLO CC(C)c1cnc(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000542466868 1037341154 /nfs/dbraw/zinc/34/11/54/1037341154.db2.gz LVRMJEIHWQHCAZ-UHFFFAOYSA-N 1 2 331.485 3.711 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000088484681 1037374350 /nfs/dbraw/zinc/37/43/50/1037374350.db2.gz LWDINXZYPGBGEA-CABCVRRESA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000088484681 1037374360 /nfs/dbraw/zinc/37/43/60/1037374360.db2.gz LWDINXZYPGBGEA-CABCVRRESA-N 1 2 348.418 3.969 20 0 EHADLO Cc1cc(N)nc(SCCOc2ccc(Cl)cc2Cl)[nH+]1 ZINC000007048759 1037388360 /nfs/dbraw/zinc/38/83/60/1037388360.db2.gz GZXTVBODMCBGMC-UHFFFAOYSA-N 1 2 330.240 3.845 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)[nH]1 ZINC000462799013 1037393437 /nfs/dbraw/zinc/39/34/37/1037393437.db2.gz VOIINTOKVRMBQJ-CYBMUJFWSA-N 1 2 344.459 3.734 20 0 EHADLO O=C(CCCc1ccccn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000591451231 1037411303 /nfs/dbraw/zinc/41/13/03/1037411303.db2.gz ZAIRHXPDFBFMHL-UHFFFAOYSA-N 1 2 340.814 3.882 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc(C(C)(C)C)cs3)[nH+]c12 ZINC000573268497 1037436647 /nfs/dbraw/zinc/43/66/47/1037436647.db2.gz XGUSPSGLPVEINQ-UHFFFAOYSA-N 1 2 328.441 3.578 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)n1cccn1 ZINC000573318079 1037464715 /nfs/dbraw/zinc/46/47/15/1037464715.db2.gz DVERKNXABTXHMM-HNNXBMFYSA-N 1 2 349.438 3.673 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(-c2ccccc2F)s1 ZINC000493580790 1037469144 /nfs/dbraw/zinc/46/91/44/1037469144.db2.gz HUPXNZHHGWCJKX-CLFYSBASSA-N 1 2 341.411 3.617 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000573336660 1037472101 /nfs/dbraw/zinc/47/21/01/1037472101.db2.gz XLNWKFKTODZXRO-CQSZACIVSA-N 1 2 345.874 3.723 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000573336660 1037472109 /nfs/dbraw/zinc/47/21/09/1037472109.db2.gz XLNWKFKTODZXRO-CQSZACIVSA-N 1 2 345.874 3.723 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3C[C@@H]3Cc3ccccc3)c12 ZINC000462883306 1037512300 /nfs/dbraw/zinc/51/23/00/1037512300.db2.gz JSFDXTSWVZZXMT-QFBILLFUSA-N 1 2 341.418 3.859 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000493647601 1037529734 /nfs/dbraw/zinc/52/97/34/1037529734.db2.gz QVDYCBMINJDFPY-FPLPWBNLSA-N 1 2 335.329 3.633 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)nc2ccccc12 ZINC000532492777 1037539961 /nfs/dbraw/zinc/53/99/61/1037539961.db2.gz ZMHXAVBNQMSHTO-CYBMUJFWSA-N 1 2 338.430 3.994 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000613546598 1037540355 /nfs/dbraw/zinc/54/03/55/1037540355.db2.gz ZMAIRGUZZMFACI-CVEARBPZSA-N 1 2 332.513 3.924 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccc(Br)cn3)nc2c1 ZINC000516829948 1037546539 /nfs/dbraw/zinc/54/65/39/1037546539.db2.gz GDBBEDZOXFQRDH-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(Br)cn3)[nH]c2c1 ZINC000516829948 1037546545 /nfs/dbraw/zinc/54/65/45/1037546545.db2.gz GDBBEDZOXFQRDH-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c(C)o1 ZINC000545328624 1037551741 /nfs/dbraw/zinc/55/17/41/1037551741.db2.gz BSPPBWUSINSNGI-UHFFFAOYSA-N 1 2 347.361 3.942 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c(C)o1 ZINC000545328624 1037551749 /nfs/dbraw/zinc/55/17/49/1037551749.db2.gz BSPPBWUSINSNGI-UHFFFAOYSA-N 1 2 347.361 3.942 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/C1CCCC1 ZINC000493675762 1037560992 /nfs/dbraw/zinc/56/09/92/1037560992.db2.gz RIEUBHOJBXFTRW-CMDGGOBGSA-N 1 2 328.456 3.512 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000493717229 1037577469 /nfs/dbraw/zinc/57/74/69/1037577469.db2.gz FOBLAGAUFUXBMA-GSNSEPGXSA-N 1 2 333.435 3.533 20 0 EHADLO CCc1ccc(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000573489891 1037584427 /nfs/dbraw/zinc/58/44/27/1037584427.db2.gz QCYQIFQDLCFGIV-UHFFFAOYSA-N 1 2 347.462 3.695 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000026460817 1037611912 /nfs/dbraw/zinc/61/19/12/1037611912.db2.gz XSBSVZOSWVHVIS-INIZCTEOSA-N 1 2 340.467 3.553 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000026460817 1037611924 /nfs/dbraw/zinc/61/19/24/1037611924.db2.gz XSBSVZOSWVHVIS-INIZCTEOSA-N 1 2 340.467 3.553 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccoc1 ZINC000540169042 1037637430 /nfs/dbraw/zinc/63/74/30/1037637430.db2.gz QFIRBKPJPHSDCP-MRVPVSSYSA-N 1 2 344.724 3.845 20 0 EHADLO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000669861191 1037641801 /nfs/dbraw/zinc/64/18/01/1037641801.db2.gz BLPHUXAVVQYXKI-WMLDXEAASA-N 1 2 346.521 3.715 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000493820638 1037655242 /nfs/dbraw/zinc/65/52/42/1037655242.db2.gz KWVHJWVCNKWCIP-ZHACJKMWSA-N 1 2 327.403 3.924 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)NCCCCn1cc[nH+]c1 ZINC000491874809 1037730061 /nfs/dbraw/zinc/73/00/61/1037730061.db2.gz WJGGFDDRBYORJV-YVMONPNESA-N 1 2 337.345 3.512 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1)n1cc[nH+]c1 ZINC000573687939 1037744672 /nfs/dbraw/zinc/74/46/72/1037744672.db2.gz GCSGQCKAGVDUIA-JTQLQIEISA-N 1 2 338.289 3.635 20 0 EHADLO Cc1cc([C@@H]([NH2+]CC(=O)NC2CC2)c2ccccc2Cl)ccc1F ZINC000172923756 1037762801 /nfs/dbraw/zinc/76/28/01/1037762801.db2.gz AHHFQDGHOBJMPQ-LJQANCHMSA-N 1 2 346.833 3.745 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000378066393 1037795031 /nfs/dbraw/zinc/79/50/31/1037795031.db2.gz FQEZXPSFLBHFFA-RYZJOYRSSA-N 1 2 329.488 3.858 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084312 1037866425 /nfs/dbraw/zinc/86/64/25/1037866425.db2.gz LZCMRMHQDKJJAH-HUUCEWRRSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084312 1037866435 /nfs/dbraw/zinc/86/64/35/1037866435.db2.gz LZCMRMHQDKJJAH-HUUCEWRRSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378090369 1037879568 /nfs/dbraw/zinc/87/95/68/1037879568.db2.gz UBGSBUQRDUWRQW-QWHCGFSZSA-N 1 2 347.821 3.712 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378090369 1037879576 /nfs/dbraw/zinc/87/95/76/1037879576.db2.gz UBGSBUQRDUWRQW-QWHCGFSZSA-N 1 2 347.821 3.712 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119808257 1037911140 /nfs/dbraw/zinc/91/11/40/1037911140.db2.gz NTDILBFXNPWTHU-RBUKOAKNSA-N 1 2 339.483 3.624 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000592333153 1037926670 /nfs/dbraw/zinc/92/66/70/1037926670.db2.gz XSXQTBKEXCEJSO-KRWDZBQOSA-N 1 2 344.480 3.600 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000592333153 1037926677 /nfs/dbraw/zinc/92/66/77/1037926677.db2.gz XSXQTBKEXCEJSO-KRWDZBQOSA-N 1 2 344.480 3.600 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccccc1 ZINC000784396650 1037931838 /nfs/dbraw/zinc/93/18/38/1037931838.db2.gz BHOLMBCOPNTLMO-IBGZPJMESA-N 1 2 331.460 3.530 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccccc1 ZINC000784396650 1037931852 /nfs/dbraw/zinc/93/18/52/1037931852.db2.gz BHOLMBCOPNTLMO-IBGZPJMESA-N 1 2 331.460 3.530 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C(F)(F)F)O1 ZINC000929761303 1037988136 /nfs/dbraw/zinc/98/81/36/1037988136.db2.gz PGRRJKCSQFTCRD-FMKGYKFTSA-N 1 2 335.316 3.687 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C(F)(F)F)O1 ZINC000929761303 1037988162 /nfs/dbraw/zinc/98/81/62/1037988162.db2.gz PGRRJKCSQFTCRD-FMKGYKFTSA-N 1 2 335.316 3.687 20 0 EHADLO O=S(=O)(Nc1cc[nH+]cc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188022332 1037989036 /nfs/dbraw/zinc/98/90/36/1037989036.db2.gz ZRQKFMYJUGDUPR-UHFFFAOYSA-N 1 2 336.722 3.555 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)CC2 ZINC000592505848 1038011353 /nfs/dbraw/zinc/01/13/53/1038011353.db2.gz KEROZDHIKUYKIU-LJQANCHMSA-N 1 2 346.434 3.667 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(N3CCCC3)c(F)c2)c(C)[nH+]1 ZINC000106606466 1038151865 /nfs/dbraw/zinc/15/18/65/1038151865.db2.gz JNTXGFNGPLSBBD-UHFFFAOYSA-N 1 2 327.403 3.998 20 0 EHADLO COc1ccc(Cl)cc1CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000124444844 1038185545 /nfs/dbraw/zinc/18/55/45/1038185545.db2.gz LCSVLKVSDYXKRF-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO COc1cc[nH+]c(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000106860777 1038230082 /nfs/dbraw/zinc/23/00/82/1038230082.db2.gz GKXJVCTYNMMTRA-UHFFFAOYSA-N 1 2 327.815 3.783 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000106878604 1038240427 /nfs/dbraw/zinc/24/04/27/1038240427.db2.gz RKRNAQAMCGERJK-JSGCOSHPSA-N 1 2 343.496 3.731 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000106878604 1038240437 /nfs/dbraw/zinc/24/04/37/1038240437.db2.gz RKRNAQAMCGERJK-JSGCOSHPSA-N 1 2 343.496 3.731 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc2cc(Cl)ccc21 ZINC000532645920 1038319410 /nfs/dbraw/zinc/31/94/10/1038319410.db2.gz PYUWHWGWTYIBLP-HUUCEWRRSA-N 1 2 349.887 3.849 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc2cc(Cl)ccc21 ZINC000532645920 1038319425 /nfs/dbraw/zinc/31/94/25/1038319425.db2.gz PYUWHWGWTYIBLP-HUUCEWRRSA-N 1 2 349.887 3.849 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000667107950 1038387427 /nfs/dbraw/zinc/38/74/27/1038387427.db2.gz IYTODWJODLWRBA-WOJBJXKFSA-N 1 2 345.446 3.868 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000538731543 1038497925 /nfs/dbraw/zinc/49/79/25/1038497925.db2.gz TULKLRHSDONKEP-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO Cc1ccc(C)n1-c1sccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001168359694 1038563913 /nfs/dbraw/zinc/56/39/13/1038563913.db2.gz RSTIOOMZCDJUEI-UHFFFAOYSA-N 1 2 342.468 3.517 20 0 EHADLO CCCOc1ncccc1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000182612500 1038618406 /nfs/dbraw/zinc/61/84/06/1038618406.db2.gz JBYPFRXRFRYMFO-QGZVFWFLSA-N 1 2 336.382 3.626 20 0 EHADLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC(C)(C)C ZINC000893237228 1038620624 /nfs/dbraw/zinc/62/06/24/1038620624.db2.gz FZSWWHFWOFMIIX-AWEZNQCLSA-N 1 2 339.439 3.744 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000538962822 1038624156 /nfs/dbraw/zinc/62/41/56/1038624156.db2.gz NDJGSODNQZNWAN-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000538962822 1038624160 /nfs/dbraw/zinc/62/41/60/1038624160.db2.gz NDJGSODNQZNWAN-UHFFFAOYSA-N 1 2 337.467 3.982 20 0 EHADLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCc1cccnc1 ZINC000538998328 1038638281 /nfs/dbraw/zinc/63/82/81/1038638281.db2.gz SVMJBGWWRMNKHO-SFHVURJKSA-N 1 2 346.858 3.904 20 0 EHADLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCc1cccnc1 ZINC000538998328 1038638283 /nfs/dbraw/zinc/63/82/83/1038638283.db2.gz SVMJBGWWRMNKHO-SFHVURJKSA-N 1 2 346.858 3.904 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659995656 1038652868 /nfs/dbraw/zinc/65/28/68/1038652868.db2.gz AJZSVJCMSYFHPL-LJQANCHMSA-N 1 2 335.455 3.800 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659995656 1038652874 /nfs/dbraw/zinc/65/28/74/1038652874.db2.gz AJZSVJCMSYFHPL-LJQANCHMSA-N 1 2 335.455 3.800 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000416429162 1038661179 /nfs/dbraw/zinc/66/11/79/1038661179.db2.gz UXQQAOWBKULXIH-UHFFFAOYSA-N 1 2 334.851 3.554 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccccc1SC(F)(F)F ZINC000924685648 1038713778 /nfs/dbraw/zinc/71/37/78/1038713778.db2.gz QNVSBQWCBHNEMX-JTQLQIEISA-N 1 2 330.379 3.761 20 0 EHADLO COc1ncc(Br)cc1C[N@H+](Cc1ccco1)C(C)C ZINC000659856541 1038797841 /nfs/dbraw/zinc/79/78/41/1038797841.db2.gz DMMGLULWMPGMNA-UHFFFAOYSA-N 1 2 339.233 3.856 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+](Cc1ccco1)C(C)C ZINC000659856541 1038797852 /nfs/dbraw/zinc/79/78/52/1038797852.db2.gz DMMGLULWMPGMNA-UHFFFAOYSA-N 1 2 339.233 3.856 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000539363418 1038856129 /nfs/dbraw/zinc/85/61/29/1038856129.db2.gz WGOBNWGHIPVSCQ-HXUWFJFHSA-N 1 2 338.430 3.504 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000462219911 1038883946 /nfs/dbraw/zinc/88/39/46/1038883946.db2.gz BMPZRDHQZDYICM-OAHLLOKOSA-N 1 2 347.528 3.717 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432717439 1038912354 /nfs/dbraw/zinc/91/23/54/1038912354.db2.gz DJZBXFOFMGCSIT-LBPRGKRZSA-N 1 2 336.234 3.760 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432717439 1038912362 /nfs/dbraw/zinc/91/23/62/1038912362.db2.gz DJZBXFOFMGCSIT-LBPRGKRZSA-N 1 2 336.234 3.760 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178537660 1038921136 /nfs/dbraw/zinc/92/11/36/1038921136.db2.gz GUOQSWCGGRAOEM-HNNXBMFYSA-N 1 2 339.464 3.520 20 0 EHADLO Fc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(Cl)c1Cl ZINC000432728410 1038932824 /nfs/dbraw/zinc/93/28/24/1038932824.db2.gz YKWXCPJXTCUVHP-RYUDHWBXSA-N 1 2 336.259 3.839 20 0 EHADLO Fc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(Cl)c1Cl ZINC000432728410 1038932835 /nfs/dbraw/zinc/93/28/35/1038932835.db2.gz YKWXCPJXTCUVHP-RYUDHWBXSA-N 1 2 336.259 3.839 20 0 EHADLO CCC(CC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000485364030 1038955756 /nfs/dbraw/zinc/95/57/56/1038955756.db2.gz ZZPKYFWPVLWICX-UHFFFAOYSA-N 1 2 348.878 3.937 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000007788674 1038967553 /nfs/dbraw/zinc/96/75/53/1038967553.db2.gz PSEDKGCBFIBYCU-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000007788674 1038967574 /nfs/dbraw/zinc/96/75/74/1038967574.db2.gz PSEDKGCBFIBYCU-UHFFFAOYSA-N 1 2 330.378 3.876 20 0 EHADLO CCCCOc1ccc(F)cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001211719023 1038992551 /nfs/dbraw/zinc/99/25/51/1038992551.db2.gz SMEGBNZFPZEGOG-INIZCTEOSA-N 1 2 345.418 3.714 20 0 EHADLO CN(C)[C@@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccc(Cl)cc1 ZINC000552133992 1038997448 /nfs/dbraw/zinc/99/74/48/1038997448.db2.gz ZXLQFXAPYOJYEL-HNNXBMFYSA-N 1 2 340.801 3.716 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@]45CCO[C@@H]4CCCC5)n3)c2)c[nH+]1 ZINC000923890193 1039026267 /nfs/dbraw/zinc/02/62/67/1039026267.db2.gz XQNHDCPFPBFHNW-VQIMIIECSA-N 1 2 336.395 3.523 20 0 EHADLO CSc1ccccc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910789873 1039076482 /nfs/dbraw/zinc/07/64/82/1039076482.db2.gz HDYAXULFYSJOMY-UHFFFAOYSA-N 1 2 338.476 3.509 20 0 EHADLO CSc1ccccc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910789873 1039076503 /nfs/dbraw/zinc/07/65/03/1039076503.db2.gz HDYAXULFYSJOMY-UHFFFAOYSA-N 1 2 338.476 3.509 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CSc1ccc2ccccc2c1 ZINC000488316420 1039080722 /nfs/dbraw/zinc/08/07/22/1039080722.db2.gz QRWXYGBPGLPVFZ-UHFFFAOYSA-N 1 2 339.464 3.677 20 0 EHADLO CC(C)C[C@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000185413601 1039101246 /nfs/dbraw/zinc/10/12/46/1039101246.db2.gz QEHKASRWAJHALU-INIZCTEOSA-N 1 2 331.504 3.520 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000552243991 1039107776 /nfs/dbraw/zinc/10/77/76/1039107776.db2.gz SVUIMTDVDDJSIQ-DZXKJOIRSA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000552243991 1039107782 /nfs/dbraw/zinc/10/77/82/1039107782.db2.gz SVUIMTDVDDJSIQ-DZXKJOIRSA-N 1 2 325.399 3.592 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)sc1C ZINC000488351881 1039112209 /nfs/dbraw/zinc/11/22/09/1039112209.db2.gz HVCQGBJRYXSFPV-UHFFFAOYSA-N 1 2 344.459 3.703 20 0 EHADLO CO[C@H](Cc1ccccc1)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000418915128 1039118387 /nfs/dbraw/zinc/11/83/87/1039118387.db2.gz CENPIDJCMLJWHR-CYBMUJFWSA-N 1 2 335.329 3.708 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000432781005 1039160394 /nfs/dbraw/zinc/16/03/94/1039160394.db2.gz PMUCKUCDXMVFOJ-ZDUSSCGKSA-N 1 2 346.475 3.750 20 0 EHADLO Cc1ccc(-c2ncc(CN(C)Cc3cn4c([nH+]3)CCCC4)s2)o1 ZINC000432792890 1039197386 /nfs/dbraw/zinc/19/73/86/1039197386.db2.gz MNYMAGADGXTMHU-UHFFFAOYSA-N 1 2 342.468 3.876 20 0 EHADLO Cc1ccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000044083130 1039211251 /nfs/dbraw/zinc/21/12/51/1039211251.db2.gz BGENZPNDASMAIE-UHFFFAOYSA-N 1 2 340.496 3.654 20 0 EHADLO Cc1cccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000044083144 1039212287 /nfs/dbraw/zinc/21/22/87/1039212287.db2.gz DFNAYCIQAJWQGN-UHFFFAOYSA-N 1 2 340.496 3.654 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1OCC1CC1 ZINC000432795018 1039216480 /nfs/dbraw/zinc/21/64/80/1039216480.db2.gz VGHMTMZASSHRSI-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO COc1ncc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000367438238 1039240378 /nfs/dbraw/zinc/24/03/78/1039240378.db2.gz LQXCINYAXIROPG-FZMZJTMJSA-N 1 2 349.866 3.644 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000488498963 1039241572 /nfs/dbraw/zinc/24/15/72/1039241572.db2.gz XSEAQQIFKLOCQD-CQSZACIVSA-N 1 2 344.405 3.765 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000488498963 1039241588 /nfs/dbraw/zinc/24/15/88/1039241588.db2.gz XSEAQQIFKLOCQD-CQSZACIVSA-N 1 2 344.405 3.765 20 0 EHADLO Cc1cn2cc(-c3cc(F)ccc3OC[C@@H]3CCOC3)ccc2[nH+]1 ZINC000906160335 1039328335 /nfs/dbraw/zinc/32/83/35/1039328335.db2.gz QGVMETDQDRJXRI-CQSZACIVSA-N 1 2 326.371 3.864 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000667642732 1039339586 /nfs/dbraw/zinc/33/95/86/1039339586.db2.gz IYJHJILPNASJTM-HNNXBMFYSA-N 1 2 341.402 3.729 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000667642732 1039339599 /nfs/dbraw/zinc/33/95/99/1039339599.db2.gz IYJHJILPNASJTM-HNNXBMFYSA-N 1 2 341.402 3.729 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCOCC34CCC4)cn2)cc1 ZINC000667651663 1039385034 /nfs/dbraw/zinc/38/50/34/1039385034.db2.gz DALOILUPWXPFFO-UHFFFAOYSA-N 1 2 328.387 3.768 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCOCC34CCC4)cn2)cc1 ZINC000667651663 1039385041 /nfs/dbraw/zinc/38/50/41/1039385041.db2.gz DALOILUPWXPFFO-UHFFFAOYSA-N 1 2 328.387 3.768 20 0 EHADLO Cc1cccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000044129594 1039395505 /nfs/dbraw/zinc/39/55/05/1039395505.db2.gz LVXWDCOVCAPGIV-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000237608947 1039396900 /nfs/dbraw/zinc/39/69/00/1039396900.db2.gz ZKKDJLQNTQJNRO-ZDUSSCGKSA-N 1 2 342.443 3.927 20 0 EHADLO Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C2CC2)nn1 ZINC000906286456 1039449433 /nfs/dbraw/zinc/44/94/33/1039449433.db2.gz UKBQVCWBCSURFM-HXUWFJFHSA-N 1 2 336.414 3.826 20 0 EHADLO CCn1ncnc1C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000488961568 1039507815 /nfs/dbraw/zinc/50/78/15/1039507815.db2.gz AGQASGQWDJFUAC-NSHDSACASA-N 1 2 343.258 3.504 20 0 EHADLO CCn1ncnc1C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000488961568 1039507826 /nfs/dbraw/zinc/50/78/26/1039507826.db2.gz AGQASGQWDJFUAC-NSHDSACASA-N 1 2 343.258 3.504 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1nccs1 ZINC000118848648 1039514176 /nfs/dbraw/zinc/51/41/76/1039514176.db2.gz KLJBUCWPXVDQHA-UHFFFAOYSA-N 1 2 344.267 3.913 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(C)(C)[C@@H]3C(C)C)cn2c1 ZINC000480402174 1039524485 /nfs/dbraw/zinc/52/44/85/1039524485.db2.gz IOMQZVRMKKEPCK-SFHVURJKSA-N 1 2 345.512 3.769 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000898781527 1039535801 /nfs/dbraw/zinc/53/58/01/1039535801.db2.gz CAEXHYRZVAKSAS-UHFFFAOYSA-N 1 2 326.227 3.550 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nnc(C(C)(C)C)[nH]3)oc21 ZINC000432856343 1039549046 /nfs/dbraw/zinc/54/90/46/1039549046.db2.gz WHRFHZYYHNIXGF-NSHDSACASA-N 1 2 328.416 3.708 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](c3ccccc3)C(F)F)ccc2[nH+]1 ZINC000432853460 1039554418 /nfs/dbraw/zinc/55/44/18/1039554418.db2.gz OZKQAKULDPILAV-OAHLLOKOSA-N 1 2 330.338 3.771 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(OC3CCCCC3)CC2)c(C)[nH+]1 ZINC000906467703 1039585151 /nfs/dbraw/zinc/58/51/51/1039585151.db2.gz TZRAPYXOIBXRSK-UHFFFAOYSA-N 1 2 330.472 3.961 20 0 EHADLO CC[N@H+](CCc1nccs1)Cc1c(F)cncc1Br ZINC000667679240 1039594872 /nfs/dbraw/zinc/59/48/72/1039594872.db2.gz ZPMMDPLBERYGSB-UHFFFAOYSA-N 1 2 344.253 3.504 20 0 EHADLO CC[N@@H+](CCc1nccs1)Cc1c(F)cncc1Br ZINC000667679240 1039594883 /nfs/dbraw/zinc/59/48/83/1039594883.db2.gz ZPMMDPLBERYGSB-UHFFFAOYSA-N 1 2 344.253 3.504 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccsc2)O1 ZINC000667680632 1039597882 /nfs/dbraw/zinc/59/78/82/1039597882.db2.gz MJVAKHFRDCNJGN-UGSOOPFHSA-N 1 2 331.485 3.711 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccsc2)O1 ZINC000667680632 1039597887 /nfs/dbraw/zinc/59/78/87/1039597887.db2.gz MJVAKHFRDCNJGN-UGSOOPFHSA-N 1 2 331.485 3.711 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@H](C)[C@H]1O ZINC000668555037 1039601472 /nfs/dbraw/zinc/60/14/72/1039601472.db2.gz VGUHRMFJPKQBKJ-VROVMSAKSA-N 1 2 338.698 3.613 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@H](C)[C@H]1O ZINC000668555037 1039601476 /nfs/dbraw/zinc/60/14/76/1039601476.db2.gz VGUHRMFJPKQBKJ-VROVMSAKSA-N 1 2 338.698 3.613 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C(C)(C)CC(F)(F)F)n1 ZINC000911965261 1039613709 /nfs/dbraw/zinc/61/37/09/1039613709.db2.gz XNWJOFZZFJQEIX-UHFFFAOYSA-N 1 2 337.411 3.902 20 0 EHADLO Fc1cc(F)c2c(c1)C[N@@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000667686163 1039628666 /nfs/dbraw/zinc/62/86/66/1039628666.db2.gz WUVWIGJQDCXKFA-SFHVURJKSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1cc(F)c2c(c1)C[N@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000667686163 1039628676 /nfs/dbraw/zinc/62/86/76/1039628676.db2.gz WUVWIGJQDCXKFA-SFHVURJKSA-N 1 2 345.389 3.691 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1)n1cc[nH+]c1 ZINC000912036387 1039638515 /nfs/dbraw/zinc/63/85/15/1039638515.db2.gz JQAUGCXBIJOAAL-ROUUACIJSA-N 1 2 338.455 3.619 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000554745327 1039666348 /nfs/dbraw/zinc/66/63/48/1039666348.db2.gz HXYPBQRHWDEQRE-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000554745327 1039666358 /nfs/dbraw/zinc/66/63/58/1039666358.db2.gz HXYPBQRHWDEQRE-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901509 1039679631 /nfs/dbraw/zinc/67/96/31/1039679631.db2.gz JDDQMHKFBLNNIX-UHFFFAOYSA-N 1 2 331.416 3.710 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000480558837 1039695429 /nfs/dbraw/zinc/69/54/29/1039695429.db2.gz YHOQXZDXMFNTNU-LSDHHAIUSA-N 1 2 340.870 3.727 20 0 EHADLO CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccn1 ZINC000347414678 1039717233 /nfs/dbraw/zinc/71/72/33/1039717233.db2.gz LDSIXZAKJIEODE-CYBMUJFWSA-N 1 2 336.395 3.901 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000007878741 1039730989 /nfs/dbraw/zinc/73/09/89/1039730989.db2.gz KWSPQYLSHQHGNK-CYBMUJFWSA-N 1 2 326.465 3.795 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000007878741 1039731005 /nfs/dbraw/zinc/73/10/05/1039731005.db2.gz KWSPQYLSHQHGNK-CYBMUJFWSA-N 1 2 326.465 3.795 20 0 EHADLO O=c1[nH]c2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2[nH]1 ZINC000641774734 1039742161 /nfs/dbraw/zinc/74/21/61/1039742161.db2.gz SXIHWGSUPVLSEO-OAHLLOKOSA-N 1 2 331.366 3.625 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000486036711 1039789945 /nfs/dbraw/zinc/78/99/45/1039789945.db2.gz CEBZELBQGOKLRC-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143542590 1039791348 /nfs/dbraw/zinc/79/13/48/1039791348.db2.gz WMGGKAVWSYPADN-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Oc1ccc2c(c1)CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143542590 1039791365 /nfs/dbraw/zinc/79/13/65/1039791365.db2.gz WMGGKAVWSYPADN-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c(C)[nH+]1 ZINC000906859976 1039795931 /nfs/dbraw/zinc/79/59/31/1039795931.db2.gz OVLDCSSUNMVDRN-HNNXBMFYSA-N 1 2 334.423 3.684 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000489321247 1039821153 /nfs/dbraw/zinc/82/11/53/1039821153.db2.gz BGEAIZPGXPHNCT-WRWLIDTKSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000489321247 1039821179 /nfs/dbraw/zinc/82/11/79/1039821179.db2.gz BGEAIZPGXPHNCT-WRWLIDTKSA-N 1 2 345.870 3.705 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000554849123 1039832196 /nfs/dbraw/zinc/83/21/96/1039832196.db2.gz UWJAWUAYDNPZLV-YOEHRIQHSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000554849123 1039832216 /nfs/dbraw/zinc/83/22/16/1039832216.db2.gz UWJAWUAYDNPZLV-YOEHRIQHSA-N 1 2 335.806 3.796 20 0 EHADLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000048054508 1039861545 /nfs/dbraw/zinc/86/15/45/1039861545.db2.gz VQZTZILUVQAYMZ-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000553239603 1039890484 /nfs/dbraw/zinc/89/04/84/1039890484.db2.gz SKLYHUOAQVRMGP-VQIMIIECSA-N 1 2 337.467 3.666 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000417493479 1039902592 /nfs/dbraw/zinc/90/25/92/1039902592.db2.gz YTJFVYUQYNJNJW-DYVFJYSZSA-N 1 2 346.406 3.536 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cc2ccccc2o1 ZINC000364137550 1039918436 /nfs/dbraw/zinc/91/84/36/1039918436.db2.gz WEWBRHVVVWDURD-CYBMUJFWSA-N 1 2 338.411 3.806 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cc2ccccc2o1 ZINC000364137550 1039918455 /nfs/dbraw/zinc/91/84/55/1039918455.db2.gz WEWBRHVVVWDURD-CYBMUJFWSA-N 1 2 338.411 3.806 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1nc(Br)cs1 ZINC000927089354 1039932648 /nfs/dbraw/zinc/93/26/48/1039932648.db2.gz AKEFGXDEDMXTOC-VIFPVBQESA-N 1 2 339.258 3.691 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cc2ccccc2)CC1 ZINC000893990086 1039943104 /nfs/dbraw/zinc/94/31/04/1039943104.db2.gz AKDSOXIGHGRRBH-FQEVSTJZSA-N 1 2 345.446 3.764 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)[NH+]1CCSCC1 ZINC000479077155 1039949039 /nfs/dbraw/zinc/94/90/39/1039949039.db2.gz GVKKURURGARTRR-OAHLLOKOSA-N 1 2 342.464 3.855 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c1 ZINC000584817599 1039971669 /nfs/dbraw/zinc/97/16/69/1039971669.db2.gz GHOMYRJTBBIWIX-UHFFFAOYSA-N 1 2 333.819 3.644 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cc12 ZINC000894043007 1040001413 /nfs/dbraw/zinc/00/14/13/1040001413.db2.gz QKWCNSABOZINFX-XIKOKIGWSA-N 1 2 341.386 3.632 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cc12 ZINC000894043007 1040001427 /nfs/dbraw/zinc/00/14/27/1040001427.db2.gz QKWCNSABOZINFX-XIKOKIGWSA-N 1 2 341.386 3.632 20 0 EHADLO CC(C)(CNC(=O)C1(c2cccs2)CCCCC1)n1cc[nH+]c1 ZINC000912614954 1040036438 /nfs/dbraw/zinc/03/64/38/1040036438.db2.gz FTBJZPSHWKISBN-UHFFFAOYSA-N 1 2 331.485 3.698 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614223 1040036680 /nfs/dbraw/zinc/03/66/80/1040036680.db2.gz KSHVUWIYQBBRIU-UHFFFAOYSA-N 1 2 333.863 3.657 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000555008425 1040050030 /nfs/dbraw/zinc/05/00/30/1040050030.db2.gz FKFGEGQGYYUPLQ-RBUKOAKNSA-N 1 2 337.467 3.756 20 0 EHADLO Cc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489552395 1040068813 /nfs/dbraw/zinc/06/88/13/1040068813.db2.gz WLTCYWMSYYPZKH-ZHALLVOQSA-N 1 2 337.467 3.682 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000512553658 1040083752 /nfs/dbraw/zinc/08/37/52/1040083752.db2.gz HLMHMPGWXZKYOH-SJORKVTESA-N 1 2 345.487 3.876 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161927577 1040092589 /nfs/dbraw/zinc/09/25/89/1040092589.db2.gz YMWDSLLNNRAERP-DYVFJYSZSA-N 1 2 331.847 3.612 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(C)o1 ZINC000660250302 1040101449 /nfs/dbraw/zinc/10/14/49/1040101449.db2.gz HENWZWONAGOLNJ-ZDUSSCGKSA-N 1 2 329.318 3.806 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000667471100 1040152846 /nfs/dbraw/zinc/15/28/46/1040152846.db2.gz XKQKGCVBTALCAE-OAHLLOKOSA-N 1 2 338.377 3.951 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000667471100 1040152857 /nfs/dbraw/zinc/15/28/57/1040152857.db2.gz XKQKGCVBTALCAE-OAHLLOKOSA-N 1 2 338.377 3.951 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@H](C)c3nnc4n3CCCCC4)cc2c1 ZINC000660264861 1040167163 /nfs/dbraw/zinc/16/71/63/1040167163.db2.gz HHWSHNMUDXNJBD-OAHLLOKOSA-N 1 2 335.455 3.712 20 0 EHADLO CC(F)(F)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000429840080 1040169387 /nfs/dbraw/zinc/16/93/87/1040169387.db2.gz MXKLMFXOCUSFGX-UHFFFAOYSA-N 1 2 345.393 3.724 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCC1 ZINC000907815995 1040185594 /nfs/dbraw/zinc/18/55/94/1040185594.db2.gz QBSXJEFQFMNDML-CZUORRHYSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCC1 ZINC000907815995 1040185608 /nfs/dbraw/zinc/18/56/08/1040185608.db2.gz QBSXJEFQFMNDML-CZUORRHYSA-N 1 2 329.488 3.867 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C(C)C)n(C)n1 ZINC000417772201 1040226368 /nfs/dbraw/zinc/22/63/68/1040226368.db2.gz HJXAKRSREYXFAM-IBGZPJMESA-N 1 2 337.471 3.996 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C(C)C)n(C)n1 ZINC000417772201 1040226379 /nfs/dbraw/zinc/22/63/79/1040226379.db2.gz HJXAKRSREYXFAM-IBGZPJMESA-N 1 2 337.471 3.996 20 0 EHADLO COc1cccc(-c2cc(C[NH+]3Cc4ccccc4C3)on2)c1OC ZINC000899258036 1040233770 /nfs/dbraw/zinc/23/37/70/1040233770.db2.gz ALBSWVLYIJLICB-UHFFFAOYSA-N 1 2 336.391 3.875 20 0 EHADLO CC(C)C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000189683612 1040277832 /nfs/dbraw/zinc/27/78/32/1040277832.db2.gz KEOPPBZUDGLLEE-UHFFFAOYSA-N 1 2 332.492 3.553 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1csc(C(C)C)n1)c1ccccc1 ZINC000152123342 1040322253 /nfs/dbraw/zinc/32/22/53/1040322253.db2.gz YUWJDDZRVGVLLJ-XJKSGUPXSA-N 1 2 332.469 3.907 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000490050180 1040324349 /nfs/dbraw/zinc/32/43/49/1040324349.db2.gz ZYIQIMBCJGJXDJ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000490050180 1040324364 /nfs/dbraw/zinc/32/43/64/1040324364.db2.gz ZYIQIMBCJGJXDJ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000490064401 1040329879 /nfs/dbraw/zinc/32/98/79/1040329879.db2.gz SXMWDEJFTPUAGE-QMMMGPOBSA-N 1 2 347.337 3.590 20 0 EHADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000190030141 1040330596 /nfs/dbraw/zinc/33/05/96/1040330596.db2.gz MIPCKSYYURZZBE-SFHVURJKSA-N 1 2 331.799 3.882 20 0 EHADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000190030141 1040330607 /nfs/dbraw/zinc/33/06/07/1040330607.db2.gz MIPCKSYYURZZBE-SFHVURJKSA-N 1 2 331.799 3.882 20 0 EHADLO Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490081645 1040341541 /nfs/dbraw/zinc/34/15/41/1040341541.db2.gz ABMVRVLMOCUWQG-JTQLQIEISA-N 1 2 340.374 3.969 20 0 EHADLO Cc1ccc(CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C2CC2)o1 ZINC000614168306 1040342162 /nfs/dbraw/zinc/34/21/62/1040342162.db2.gz LMIRAIMXXXNSIG-UHFFFAOYSA-N 1 2 335.407 3.638 20 0 EHADLO C[C@H]1C[C@@H](CCNc2nc(C3CC3)ns2)C[N@@H+]1Cc1ccccc1 ZINC000511645358 1040356864 /nfs/dbraw/zinc/35/68/64/1040356864.db2.gz JUBARYGDXHYZHD-GOEBONIOSA-N 1 2 342.512 3.550 20 0 EHADLO C[C@H]1C[C@@H](CCNc2nc(C3CC3)ns2)C[N@H+]1Cc1ccccc1 ZINC000511645358 1040356877 /nfs/dbraw/zinc/35/68/77/1040356877.db2.gz JUBARYGDXHYZHD-GOEBONIOSA-N 1 2 342.512 3.550 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000663908733 1040378763 /nfs/dbraw/zinc/37/87/63/1040378763.db2.gz XIPDLNGGBBFJTO-SVFBPWRDSA-N 1 2 345.446 3.826 20 0 EHADLO CC(C)[C@@H]1N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1(C)C ZINC000908380890 1040423387 /nfs/dbraw/zinc/42/33/87/1040423387.db2.gz PCUFOPHGXKPDPK-SFHVURJKSA-N 1 2 340.471 3.502 20 0 EHADLO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3ncn[nH]3)C3CCCCC3)C2)c1 ZINC000651463553 1040443293 /nfs/dbraw/zinc/44/32/93/1040443293.db2.gz MZYMUCMVNWMWHQ-ZHALLVOQSA-N 1 2 340.471 3.971 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000667848096 1040549833 /nfs/dbraw/zinc/54/98/33/1040549833.db2.gz PTWFYXNGXGXMAA-OALUTQOASA-N 1 2 325.456 3.848 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000553886452 1040571030 /nfs/dbraw/zinc/57/10/30/1040571030.db2.gz NLNIPKGYBMLDCN-LJQANCHMSA-N 1 2 343.492 3.826 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000553886452 1040571039 /nfs/dbraw/zinc/57/10/39/1040571039.db2.gz NLNIPKGYBMLDCN-LJQANCHMSA-N 1 2 343.492 3.826 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC3(CCc4ccccc4O3)CC2)nn1C ZINC000668714457 1040576591 /nfs/dbraw/zinc/57/65/91/1040576591.db2.gz AGJUAYBNLZTBAM-UHFFFAOYSA-N 1 2 345.874 3.742 20 0 EHADLO Cc1[nH]c(C2CCN(C(=O)c3ccc4ccccc4c3O)CC2)[nH+]c1C ZINC000899504058 1040616318 /nfs/dbraw/zinc/61/63/18/1040616318.db2.gz KROSKGVVTCPMSC-UHFFFAOYSA-N 1 2 349.434 3.905 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccccc1OC(F)F ZINC000927119475 1040626617 /nfs/dbraw/zinc/62/66/17/1040626617.db2.gz KXPUZMOSBLFJNP-SNVBAGLBSA-N 1 2 340.395 3.668 20 0 EHADLO CCCn1ccnc1C(=O)c1ccnc(NCc2c[nH+]c(C)cc2C)c1 ZINC000663987332 1040704496 /nfs/dbraw/zinc/70/44/96/1040704496.db2.gz UDFMXKYHWGFUQO-UHFFFAOYSA-N 1 2 349.438 3.543 20 0 EHADLO CC(C)(c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CCOCC1 ZINC001211774479 1040794865 /nfs/dbraw/zinc/79/48/65/1040794865.db2.gz GKZITGXLPDJRLB-UHFFFAOYSA-N 1 2 338.411 3.627 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000668758217 1040797439 /nfs/dbraw/zinc/79/74/39/1040797439.db2.gz SIJLPXWEXNMHTK-UHFFFAOYSA-N 1 2 329.831 3.514 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364325442 1040802746 /nfs/dbraw/zinc/80/27/46/1040802746.db2.gz CHZNGMLUOKYYEE-INIZCTEOSA-N 1 2 341.455 3.614 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000364325442 1040802761 /nfs/dbraw/zinc/80/27/61/1040802761.db2.gz CHZNGMLUOKYYEE-INIZCTEOSA-N 1 2 341.455 3.614 20 0 EHADLO CC(C)Oc1cccc(F)c1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001211772945 1040806872 /nfs/dbraw/zinc/80/68/72/1040806872.db2.gz JLBOZICMMNSOAT-UHFFFAOYSA-N 1 2 345.418 3.713 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)Cc2ccccc21 ZINC000600215221 1040855455 /nfs/dbraw/zinc/85/54/55/1040855455.db2.gz NDMZLZUEJAIVMV-MRXNPFEDSA-N 1 2 344.480 3.713 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnc(C(C)(C)C)s2)Cc2ccccc21 ZINC000600215221 1040855462 /nfs/dbraw/zinc/85/54/62/1040855462.db2.gz NDMZLZUEJAIVMV-MRXNPFEDSA-N 1 2 344.480 3.713 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000249047517 1040896518 /nfs/dbraw/zinc/89/65/18/1040896518.db2.gz HNRHTDWJYVBAQI-QAPCUYQASA-N 1 2 349.434 3.622 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000249047517 1040896527 /nfs/dbraw/zinc/89/65/27/1040896527.db2.gz HNRHTDWJYVBAQI-QAPCUYQASA-N 1 2 349.434 3.622 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)[nH+]c12 ZINC000586720676 1040989973 /nfs/dbraw/zinc/98/99/73/1040989973.db2.gz YPPRBBBTYASVIG-BRWVUGGUSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1[nH+]c2cc(OCc3nc(Cc4ccccc4C)no3)ccc2n1C ZINC000664052971 1040998746 /nfs/dbraw/zinc/99/87/46/1040998746.db2.gz JKUCEOFNXWDVFG-UHFFFAOYSA-N 1 2 348.406 3.743 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511518 1041005873 /nfs/dbraw/zinc/00/58/73/1041005873.db2.gz XYQQYHPYVPTXQM-XUWXXGDYSA-N 1 2 335.517 3.996 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511518 1041005882 /nfs/dbraw/zinc/00/58/82/1041005882.db2.gz XYQQYHPYVPTXQM-XUWXXGDYSA-N 1 2 335.517 3.996 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000512827133 1041046826 /nfs/dbraw/zinc/04/68/26/1041046826.db2.gz LLLOJDGIKAXXJB-DLBZAZTESA-N 1 2 332.492 3.789 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844488 1041101446 /nfs/dbraw/zinc/10/14/46/1041101446.db2.gz NFUMCBWCAYVBDL-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844488 1041101453 /nfs/dbraw/zinc/10/14/53/1041101453.db2.gz NFUMCBWCAYVBDL-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000899781737 1041105773 /nfs/dbraw/zinc/10/57/73/1041105773.db2.gz DQRICHCTUCHUGR-QGZVFWFLSA-N 1 2 343.471 3.812 20 0 EHADLO CCCCC[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000487778951 1041108232 /nfs/dbraw/zinc/10/82/32/1041108232.db2.gz BSORIOOCLWWQQT-SFHVURJKSA-N 1 2 344.503 3.936 20 0 EHADLO Cc1cc(OC(C)C)ccc1Nc1[nH+]cccc1N1CCOCC1 ZINC001211812488 1041112522 /nfs/dbraw/zinc/11/25/22/1041112522.db2.gz CPHUCINGLVWOMU-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000433235410 1041124653 /nfs/dbraw/zinc/12/46/53/1041124653.db2.gz NLNKASSROUDEET-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000433235410 1041124659 /nfs/dbraw/zinc/12/46/59/1041124659.db2.gz NLNKASSROUDEET-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO COc1ccccc1CCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000555774829 1041131712 /nfs/dbraw/zinc/13/17/12/1041131712.db2.gz HKLRZRNCNLXAIT-UHFFFAOYSA-N 1 2 333.435 3.829 20 0 EHADLO COc1ccccc1CCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000555774829 1041131723 /nfs/dbraw/zinc/13/17/23/1041131723.db2.gz HKLRZRNCNLXAIT-UHFFFAOYSA-N 1 2 333.435 3.829 20 0 EHADLO CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](CC)c1ccccc1 ZINC000570931298 1041138164 /nfs/dbraw/zinc/13/81/64/1041138164.db2.gz KOADIIFNMVMSLU-MJGOQNOKSA-N 1 2 325.456 3.835 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419294824 1041141062 /nfs/dbraw/zinc/14/10/62/1041141062.db2.gz BTMNIMPYJSXIHA-UHFFFAOYSA-N 1 2 331.435 3.729 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC2(CC1)C(F)(F)C2(F)F ZINC000664063689 1041196654 /nfs/dbraw/zinc/19/66/54/1041196654.db2.gz VJUYZCGHXBWMTO-UHFFFAOYSA-N 1 2 325.309 3.688 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939026 1041214623 /nfs/dbraw/zinc/21/46/23/1041214623.db2.gz HDQMRKSQFKRRIK-LKFCYVNXSA-N 1 2 338.238 3.699 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939026 1041214639 /nfs/dbraw/zinc/21/46/39/1041214639.db2.gz HDQMRKSQFKRRIK-LKFCYVNXSA-N 1 2 338.238 3.699 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000481678499 1041226837 /nfs/dbraw/zinc/22/68/37/1041226837.db2.gz QIEYXIRYDLHWIB-NWDGAFQWSA-N 1 2 331.378 3.956 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(Cc3csc(C)n3)oc2=S)C1 ZINC000126236602 1041316259 /nfs/dbraw/zinc/31/62/59/1041316259.db2.gz KISXRKGZAWUNOR-GFCCVEGCSA-N 1 2 338.502 3.641 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(Cc3csc(C)n3)oc2=S)C1 ZINC000126236602 1041316272 /nfs/dbraw/zinc/31/62/72/1041316272.db2.gz KISXRKGZAWUNOR-GFCCVEGCSA-N 1 2 338.502 3.641 20 0 EHADLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(C2CC2)cc1 ZINC000419331614 1041371536 /nfs/dbraw/zinc/37/15/36/1041371536.db2.gz CZIGLPBWMXDJQS-JTQLQIEISA-N 1 2 325.334 3.903 20 0 EHADLO CN(C)c1ccc(NCc2c(F)ccc(Br)c2F)[nH+]c1 ZINC000500428488 1041446035 /nfs/dbraw/zinc/44/60/35/1041446035.db2.gz JTTAMXYFCAUSFM-UHFFFAOYSA-N 1 2 342.187 3.800 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000109782022 1041489901 /nfs/dbraw/zinc/48/99/01/1041489901.db2.gz MEBBPSQCBNOPTP-NSHDSACASA-N 1 2 342.424 3.750 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000109782022 1041489904 /nfs/dbraw/zinc/48/99/04/1041489904.db2.gz MEBBPSQCBNOPTP-NSHDSACASA-N 1 2 342.424 3.750 20 0 EHADLO CCCC[N@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1F ZINC000111208829 1041534085 /nfs/dbraw/zinc/53/40/85/1041534085.db2.gz OCQMYMSGIQZWEG-UHFFFAOYSA-N 1 2 335.448 3.547 20 0 EHADLO CCCC[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1F ZINC000111208829 1041534092 /nfs/dbraw/zinc/53/40/92/1041534092.db2.gz OCQMYMSGIQZWEG-UHFFFAOYSA-N 1 2 335.448 3.547 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000025984157 1041614120 /nfs/dbraw/zinc/61/41/20/1041614120.db2.gz JXJTUIRJFXTYNJ-UHFFFAOYSA-N 1 2 333.844 3.961 20 0 EHADLO Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517830 1041639588 /nfs/dbraw/zinc/63/95/88/1041639588.db2.gz MPYJWFVCUCFMFJ-UHFFFAOYSA-N 1 2 344.484 3.759 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccccc3)n2)C1 ZINC000043547634 1041660080 /nfs/dbraw/zinc/66/00/80/1041660080.db2.gz URSBTEXHFBADCA-CQSZACIVSA-N 1 2 344.484 3.697 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccccc3)n2)C1 ZINC000043547634 1041660083 /nfs/dbraw/zinc/66/00/83/1041660083.db2.gz URSBTEXHFBADCA-CQSZACIVSA-N 1 2 344.484 3.697 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1Cl ZINC000660626445 1041731997 /nfs/dbraw/zinc/73/19/97/1041731997.db2.gz JWQUILDFIDJEFZ-CQSZACIVSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1Cl ZINC000660626445 1041732004 /nfs/dbraw/zinc/73/20/04/1041732004.db2.gz JWQUILDFIDJEFZ-CQSZACIVSA-N 1 2 329.831 3.553 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000660707349 1041784921 /nfs/dbraw/zinc/78/49/21/1041784921.db2.gz GEJULENTOPBISA-BLLLJJGKSA-N 1 2 337.851 3.752 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000660707349 1041784929 /nfs/dbraw/zinc/78/49/29/1041784929.db2.gz GEJULENTOPBISA-BLLLJJGKSA-N 1 2 337.851 3.752 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000651620905 1041800524 /nfs/dbraw/zinc/80/05/24/1041800524.db2.gz YIVQCRCCFDTGRI-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000651620905 1041800529 /nfs/dbraw/zinc/80/05/29/1041800529.db2.gz YIVQCRCCFDTGRI-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000893405124 1041819023 /nfs/dbraw/zinc/81/90/23/1041819023.db2.gz BFWJNEBITFXIAV-AWEZNQCLSA-N 1 2 335.400 3.677 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)c(OC(F)F)c1 ZINC000093076725 1041848640 /nfs/dbraw/zinc/84/86/40/1041848640.db2.gz GPHQJYNALCVYPQ-UHFFFAOYSA-N 1 2 340.395 3.532 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000044438046 1041932163 /nfs/dbraw/zinc/93/21/63/1041932163.db2.gz JRQVLZWPSSZBME-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000044438046 1041932168 /nfs/dbraw/zinc/93/21/68/1041932168.db2.gz JRQVLZWPSSZBME-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1cnc[nH]1 ZINC000661089236 1041936406 /nfs/dbraw/zinc/93/64/06/1041936406.db2.gz YSEOMMWTBILBHI-UHFFFAOYSA-N 1 2 332.860 3.835 20 0 EHADLO C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1cnc[nH]1 ZINC000661089236 1041936411 /nfs/dbraw/zinc/93/64/11/1041936411.db2.gz YSEOMMWTBILBHI-UHFFFAOYSA-N 1 2 332.860 3.835 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2cccc(C)c2)nc1C)c1ccco1 ZINC000651729162 1041971786 /nfs/dbraw/zinc/97/17/86/1041971786.db2.gz YAFFBQZUDXWSRI-SFHVURJKSA-N 1 2 325.412 3.559 20 0 EHADLO Cc1nc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)cs1 ZINC000800223435 1041976145 /nfs/dbraw/zinc/97/61/45/1041976145.db2.gz BLTZSGQNRGVHRC-UHFFFAOYSA-N 1 2 340.474 3.545 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccco2)CC1 ZINC000661161266 1041976325 /nfs/dbraw/zinc/97/63/25/1041976325.db2.gz PAPGDWFBQPNWMD-CQSZACIVSA-N 1 2 329.448 3.712 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651783874 1042031321 /nfs/dbraw/zinc/03/13/21/1042031321.db2.gz TXEZQVHZVPZMIG-UHFFFAOYSA-N 1 2 345.370 3.888 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000661371772 1042088760 /nfs/dbraw/zinc/08/87/60/1042088760.db2.gz PXMUKRPOMIQUBJ-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000661371772 1042088767 /nfs/dbraw/zinc/08/87/67/1042088767.db2.gz PXMUKRPOMIQUBJ-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534850 1042176172 /nfs/dbraw/zinc/17/61/72/1042176172.db2.gz HJFAYIPLLSEYFT-ZIAGYGMSSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534850 1042176174 /nfs/dbraw/zinc/17/61/74/1042176174.db2.gz HJFAYIPLLSEYFT-ZIAGYGMSSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534849 1042176542 /nfs/dbraw/zinc/17/65/42/1042176542.db2.gz HJFAYIPLLSEYFT-UONOGXRCSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534849 1042176548 /nfs/dbraw/zinc/17/65/48/1042176548.db2.gz HJFAYIPLLSEYFT-UONOGXRCSA-N 1 2 343.393 3.574 20 0 EHADLO Brc1c[nH]nc1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652153283 1042245549 /nfs/dbraw/zinc/24/55/49/1042245549.db2.gz FPLHKACVLKRZFH-MRXNPFEDSA-N 1 2 349.276 3.978 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000652173877 1042261852 /nfs/dbraw/zinc/26/18/52/1042261852.db2.gz XKVUIMWQYPICKS-BHIYHBOVSA-N 1 2 340.471 3.545 20 0 EHADLO CCn1nc(C[N@H+](C)Cc2ccc(OC)cc2OC)c2ccccc21 ZINC000473140391 1042277369 /nfs/dbraw/zinc/27/73/69/1042277369.db2.gz MXTSRIUMIPLEEV-UHFFFAOYSA-N 1 2 339.439 3.705 20 0 EHADLO CCn1nc(C[N@@H+](C)Cc2ccc(OC)cc2OC)c2ccccc21 ZINC000473140391 1042277375 /nfs/dbraw/zinc/27/73/75/1042277375.db2.gz MXTSRIUMIPLEEV-UHFFFAOYSA-N 1 2 339.439 3.705 20 0 EHADLO Cc1cncc(CC[N@@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661736479 1042291549 /nfs/dbraw/zinc/29/15/49/1042291549.db2.gz NMPBHNPKQGFXLI-GOSISDBHSA-N 1 2 345.874 3.833 20 0 EHADLO Cc1cncc(CC[N@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661736479 1042291550 /nfs/dbraw/zinc/29/15/50/1042291550.db2.gz NMPBHNPKQGFXLI-GOSISDBHSA-N 1 2 345.874 3.833 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854821 1042369440 /nfs/dbraw/zinc/36/94/40/1042369440.db2.gz QJTPCEDQWLCHBI-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854821 1042369444 /nfs/dbraw/zinc/36/94/44/1042369444.db2.gz QJTPCEDQWLCHBI-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)[nH]c2scc(-c3ccccc3)c21 ZINC000661976847 1042438584 /nfs/dbraw/zinc/43/85/84/1042438584.db2.gz VLKZJJLNAKLXGF-ZIAGYGMSSA-N 1 2 337.448 3.906 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)[nH]c2scc(-c3ccccc3)c21 ZINC000661976847 1042438586 /nfs/dbraw/zinc/43/85/86/1042438586.db2.gz VLKZJJLNAKLXGF-ZIAGYGMSSA-N 1 2 337.448 3.906 20 0 EHADLO Fc1cc(Br)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662042739 1042477996 /nfs/dbraw/zinc/47/79/96/1042477996.db2.gz DIUCVJBXRAUUME-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO Clc1ccc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)cc1 ZINC000662045174 1042479640 /nfs/dbraw/zinc/47/96/40/1042479640.db2.gz VISNYJGVNSPSEI-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000662091740 1042512199 /nfs/dbraw/zinc/51/21/99/1042512199.db2.gz GSPYGCQESZSHLW-MRXNPFEDSA-N 1 2 334.261 3.709 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000662091740 1042512201 /nfs/dbraw/zinc/51/22/01/1042512201.db2.gz GSPYGCQESZSHLW-MRXNPFEDSA-N 1 2 334.261 3.709 20 0 EHADLO Brc1ccc([C@@H]2CC[N@@H+]2CCO[C@@H]2CCCCO2)cc1 ZINC000662094497 1042514969 /nfs/dbraw/zinc/51/49/69/1042514969.db2.gz MXJDSVPFTOKDSD-JKSUJKDBSA-N 1 2 340.261 3.739 20 0 EHADLO Brc1ccc([C@@H]2CC[N@H+]2CCO[C@@H]2CCCCO2)cc1 ZINC000662094497 1042514972 /nfs/dbraw/zinc/51/49/72/1042514972.db2.gz MXJDSVPFTOKDSD-JKSUJKDBSA-N 1 2 340.261 3.739 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(-c4ccccc4)no3)CCC2)c1 ZINC000662108935 1042527806 /nfs/dbraw/zinc/52/78/06/1042527806.db2.gz SPSCSLOFHQDHQI-UHFFFAOYSA-N 1 2 335.407 3.914 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1nccs1 ZINC000184425444 1042541255 /nfs/dbraw/zinc/54/12/55/1042541255.db2.gz YHCPQAUFTSGKBF-SMDDNHRTSA-N 1 2 337.514 3.759 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)[nH]1 ZINC000662153268 1042548814 /nfs/dbraw/zinc/54/88/14/1042548814.db2.gz CHBARRDSQDRCLR-INIZCTEOSA-N 1 2 338.377 3.729 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)[nH]1 ZINC000662153268 1042548816 /nfs/dbraw/zinc/54/88/16/1042548816.db2.gz CHBARRDSQDRCLR-INIZCTEOSA-N 1 2 338.377 3.729 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000059384924 1042549458 /nfs/dbraw/zinc/54/94/58/1042549458.db2.gz HNMYDUKCHZALBQ-UHFFFAOYSA-N 1 2 348.849 3.960 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000059384924 1042549460 /nfs/dbraw/zinc/54/94/60/1042549460.db2.gz HNMYDUKCHZALBQ-UHFFFAOYSA-N 1 2 348.849 3.960 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473165327 1042585749 /nfs/dbraw/zinc/58/57/49/1042585749.db2.gz YPJHLAMNOGFZAM-CYBMUJFWSA-N 1 2 336.426 3.747 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473165327 1042585753 /nfs/dbraw/zinc/58/57/53/1042585753.db2.gz YPJHLAMNOGFZAM-CYBMUJFWSA-N 1 2 336.426 3.747 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000662207567 1042590465 /nfs/dbraw/zinc/59/04/65/1042590465.db2.gz BEDROIIJAHWRCO-CQSZACIVSA-N 1 2 347.459 3.838 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000662207567 1042590468 /nfs/dbraw/zinc/59/04/68/1042590468.db2.gz BEDROIIJAHWRCO-CQSZACIVSA-N 1 2 347.459 3.838 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662215980 1042609154 /nfs/dbraw/zinc/60/91/54/1042609154.db2.gz YLAWXUKOMOSQCU-CQSZACIVSA-N 1 2 337.423 3.948 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H](CC(F)(F)F)O1 ZINC000662242683 1042628833 /nfs/dbraw/zinc/62/88/33/1042628833.db2.gz PEQKTYRPEOOQIF-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H](CC(F)(F)F)O1 ZINC000662242683 1042628834 /nfs/dbraw/zinc/62/88/34/1042628834.db2.gz PEQKTYRPEOOQIF-GXFFZTMASA-N 1 2 339.304 3.830 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCc2ccccc2Br)s1 ZINC000662256818 1042637196 /nfs/dbraw/zinc/63/71/96/1042637196.db2.gz LGGBORBQTABZNR-UHFFFAOYSA-N 1 2 340.290 3.674 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCc2ccccc2Br)s1 ZINC000662256818 1042637199 /nfs/dbraw/zinc/63/71/99/1042637199.db2.gz LGGBORBQTABZNR-UHFFFAOYSA-N 1 2 340.290 3.674 20 0 EHADLO Cc1nnc(C[N@H+](C)CCCCCn2c(C)nc3ccccc32)s1 ZINC000662255562 1042639140 /nfs/dbraw/zinc/63/91/40/1042639140.db2.gz DRMXHQBLSOFGBA-UHFFFAOYSA-N 1 2 343.500 3.807 20 0 EHADLO Cc1nnc(C[N@@H+](C)CCCCCn2c(C)nc3ccccc32)s1 ZINC000662255562 1042639146 /nfs/dbraw/zinc/63/91/46/1042639146.db2.gz DRMXHQBLSOFGBA-UHFFFAOYSA-N 1 2 343.500 3.807 20 0 EHADLO COc1cc(C)c(CN(C)c2[nH+]ccc3c(N)cccc32)cc1OC ZINC000663347852 1042735451 /nfs/dbraw/zinc/73/54/51/1042735451.db2.gz XYWPRVWAICZLHV-UHFFFAOYSA-N 1 2 337.423 3.779 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000663366491 1042758451 /nfs/dbraw/zinc/75/84/51/1042758451.db2.gz ICLYDSICEWSSOR-IBGZPJMESA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000663366491 1042758457 /nfs/dbraw/zinc/75/84/57/1042758457.db2.gz ICLYDSICEWSSOR-IBGZPJMESA-N 1 2 340.471 3.637 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153155825 1042837316 /nfs/dbraw/zinc/83/73/16/1042837316.db2.gz FTZQKPLQEHOTKN-KGLIPLIRSA-N 1 2 346.500 3.553 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000278891321 1042848521 /nfs/dbraw/zinc/84/85/21/1042848521.db2.gz QJALDJZTWMJXOT-GFCCVEGCSA-N 1 2 343.324 3.574 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000278891321 1042848525 /nfs/dbraw/zinc/84/85/25/1042848525.db2.gz QJALDJZTWMJXOT-GFCCVEGCSA-N 1 2 343.324 3.574 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000153168106 1042850597 /nfs/dbraw/zinc/85/05/97/1042850597.db2.gz KCKBXVCUQRIMAJ-RKVPGOIHSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1[nH]c(CN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)[nH+]c1C ZINC001167813329 1042872061 /nfs/dbraw/zinc/87/20/61/1042872061.db2.gz VRLHCKXIORKQTH-SFHVURJKSA-N 1 2 341.846 3.691 20 0 EHADLO COc1ccccc1O[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000343985792 1043059665 /nfs/dbraw/zinc/05/96/65/1043059665.db2.gz MVDCTFOOWAJLRH-MRXNPFEDSA-N 1 2 339.439 3.719 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278967715 1043101938 /nfs/dbraw/zinc/10/19/38/1043101938.db2.gz YWHMGWUXEBBBQK-UHFFFAOYSA-N 1 2 338.455 3.939 20 0 EHADLO CCOC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000432416831 1043126958 /nfs/dbraw/zinc/12/69/58/1043126958.db2.gz SPVNPLWSLHQBDS-UHFFFAOYSA-N 1 2 327.409 3.723 20 0 EHADLO COC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1C ZINC000432420287 1043149583 /nfs/dbraw/zinc/14/95/83/1043149583.db2.gz ASNHCNVNCVHDMQ-UHFFFAOYSA-N 1 2 335.407 3.888 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279026640 1043216478 /nfs/dbraw/zinc/21/64/78/1043216478.db2.gz WITFHKRDIHUMLW-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)c(Br)c1 ZINC000344121507 1043293444 /nfs/dbraw/zinc/29/34/44/1043293444.db2.gz HYKDIZFDYKIJPR-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125969 1043301972 /nfs/dbraw/zinc/30/19/72/1043301972.db2.gz WJWCLDBLNCOVHP-UKRRQHHQSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125969 1043301979 /nfs/dbraw/zinc/30/19/79/1043301979.db2.gz WJWCLDBLNCOVHP-UKRRQHHQSA-N 1 2 328.460 3.748 20 0 EHADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000348834935 1043312860 /nfs/dbraw/zinc/31/28/60/1043312860.db2.gz RYNQQODDUUHWEJ-UHFFFAOYSA-N 1 2 337.533 3.665 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000348834935 1043312868 /nfs/dbraw/zinc/31/28/68/1043312868.db2.gz RYNQQODDUUHWEJ-UHFFFAOYSA-N 1 2 337.533 3.665 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3C)CC2)s1 ZINC000606395191 1043387954 /nfs/dbraw/zinc/38/79/54/1043387954.db2.gz PHEPFLSERRTWSY-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO COc1cccc(-c2csc(C[NH2+][C@@H](CCO)c3ccco3)n2)c1 ZINC000893644609 1043463337 /nfs/dbraw/zinc/46/33/37/1043463337.db2.gz GDHROERMVKSAEU-HNNXBMFYSA-N 1 2 344.436 3.625 20 0 EHADLO Brc1cccc(NC2CC[NH+](Cc3cocn3)CC2)c1 ZINC000279174210 1043504838 /nfs/dbraw/zinc/50/48/38/1043504838.db2.gz CDKIYSBAWKMUCS-UHFFFAOYSA-N 1 2 336.233 3.514 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)CCc2[nH]cc[nH+]2)s1 ZINC000279195676 1043540468 /nfs/dbraw/zinc/54/04/68/1043540468.db2.gz KHFWMEGRUSXQBT-UHFFFAOYSA-N 1 2 329.425 3.534 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000279243372 1043632266 /nfs/dbraw/zinc/63/22/66/1043632266.db2.gz QRBCCINAVGUCKT-KDOFPFPSSA-N 1 2 341.455 3.995 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000344355629 1043715565 /nfs/dbraw/zinc/71/55/65/1043715565.db2.gz TXANOGIRXPCSPI-AWEZNQCLSA-N 1 2 346.427 3.564 20 0 EHADLO COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162780987 1043779365 /nfs/dbraw/zinc/77/93/65/1043779365.db2.gz IXBUBXCDWJYRNI-UHFFFAOYSA-N 1 2 349.390 3.687 20 0 EHADLO C[C@@H]1CCN(c2nc3ccccc3n3cccc23)C[C@H]1n1cc[nH+]c1 ZINC000663714692 1043785440 /nfs/dbraw/zinc/78/54/40/1043785440.db2.gz YIPPABDIBYJXGJ-DNVCBOLYSA-N 1 2 331.423 3.772 20 0 EHADLO CC(C)n1c(=S)n(C[NH2+]C2(c3ccccc3)CCC2)nc1N(C)C ZINC000728899976 1043815448 /nfs/dbraw/zinc/81/54/48/1043815448.db2.gz ZXNMIMRDIUJRAM-UHFFFAOYSA-N 1 2 345.516 3.687 20 0 EHADLO Cc1cccnc1OC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000279316336 1043925411 /nfs/dbraw/zinc/92/54/11/1043925411.db2.gz RUKLCGPAZRXPAA-UHFFFAOYSA-N 1 2 329.444 3.719 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000051882661 1044013126 /nfs/dbraw/zinc/01/31/26/1044013126.db2.gz GKTZAZZCGJOKPS-QGZVFWFLSA-N 1 2 346.496 3.846 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000051882661 1044013141 /nfs/dbraw/zinc/01/31/41/1044013141.db2.gz GKTZAZZCGJOKPS-QGZVFWFLSA-N 1 2 346.496 3.846 20 0 EHADLO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nc4c([nH]3)CCCC4)o2)n[nH]1 ZINC000279400371 1044036792 /nfs/dbraw/zinc/03/67/92/1044036792.db2.gz MNTXQROWVOHZRF-QGZVFWFLSA-N 1 2 337.427 3.609 20 0 EHADLO c1cc(-c2ccc(C[N@H+]3CCC[C@@H]3c3nc4c([nH]3)CCCC4)o2)n[nH]1 ZINC000279400371 1044036805 /nfs/dbraw/zinc/03/68/05/1044036805.db2.gz MNTXQROWVOHZRF-QGZVFWFLSA-N 1 2 337.427 3.609 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2sncc2Br)CC1 ZINC001190700266 1134733961 /nfs/dbraw/zinc/73/39/61/1134733961.db2.gz WOKIYMLIZMCLPB-UHFFFAOYSA-N 1 2 347.322 3.933 20 0 EHADLO Cc1c(NC2C[C@H](C)O[C@@H](C)C2)nc[nH+]c1NC1C[C@H](C)O[C@@H](C)C1 ZINC000663763116 1044181842 /nfs/dbraw/zinc/18/18/42/1044181842.db2.gz LDGHOKPSIDPGIE-XUXIUFHCSA-N 1 2 348.491 3.521 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OC(F)F ZINC000344643437 1044219040 /nfs/dbraw/zinc/21/90/40/1044219040.db2.gz VGKUKHYNGRGXEH-UHFFFAOYSA-N 1 2 343.399 3.561 20 0 EHADLO CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000279551201 1044220858 /nfs/dbraw/zinc/22/08/58/1044220858.db2.gz ANJXVKRVNSVXHG-ZFWWWQNUSA-N 1 2 331.391 3.545 20 0 EHADLO Fc1ccc2nc(C(F)F)nc(NCCCCn3cc[nH+]c3)c2c1 ZINC000663771887 1044266317 /nfs/dbraw/zinc/26/63/17/1044266317.db2.gz UBWFKWCYRGERFX-UHFFFAOYSA-N 1 2 335.333 3.795 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1cccc(C)n1 ZINC000348572764 1044361368 /nfs/dbraw/zinc/36/13/68/1044361368.db2.gz TYZXSHWAHMIDGS-UHFFFAOYSA-N 1 2 338.407 3.945 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1cccc(C)n1 ZINC000348572764 1044361384 /nfs/dbraw/zinc/36/13/84/1044361384.db2.gz TYZXSHWAHMIDGS-UHFFFAOYSA-N 1 2 338.407 3.945 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648276 1044364090 /nfs/dbraw/zinc/36/40/90/1044364090.db2.gz BJWPOYHDBMAJQI-VCBZYWHSSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648276 1044364106 /nfs/dbraw/zinc/36/41/06/1044364106.db2.gz BJWPOYHDBMAJQI-VCBZYWHSSA-N 1 2 344.480 3.578 20 0 EHADLO CCCCOc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000344782166 1044409940 /nfs/dbraw/zinc/40/99/40/1044409940.db2.gz VWZISVMMJBTXEY-UHFFFAOYSA-N 1 2 339.483 3.578 20 0 EHADLO O=C(C[NH2+]Cc1csc(-c2ccsc2)n1)Nc1cccc(F)c1 ZINC000051188712 1044449673 /nfs/dbraw/zinc/44/96/73/1044449673.db2.gz LSLQQJXHAJRWKH-UHFFFAOYSA-N 1 2 347.440 3.739 20 0 EHADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000112357177 1044600649 /nfs/dbraw/zinc/60/06/49/1044600649.db2.gz FQSDBVXNYAQSFJ-UHFFFAOYSA-N 1 2 328.412 3.647 20 0 EHADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000112357177 1044600656 /nfs/dbraw/zinc/60/06/56/1044600656.db2.gz FQSDBVXNYAQSFJ-UHFFFAOYSA-N 1 2 328.412 3.647 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)CC(F)(F)F ZINC000613999729 1044648378 /nfs/dbraw/zinc/64/83/78/1044648378.db2.gz HRSGHDVLDBJYIN-UHFFFAOYSA-N 1 2 333.398 3.663 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279804575 1044675504 /nfs/dbraw/zinc/67/55/04/1044675504.db2.gz FCYJPNDYXMCYLD-APWZRJJASA-N 1 2 325.456 3.764 20 0 EHADLO CO[C@@H]1CCOc2c(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cccc21 ZINC000344936618 1044703990 /nfs/dbraw/zinc/70/39/90/1044703990.db2.gz RYVBKQUDRAQRRP-GOSISDBHSA-N 1 2 349.390 3.595 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000500465609 1044879274 /nfs/dbraw/zinc/87/92/74/1044879274.db2.gz VRRQPCPAKCZQGV-IFXJQAMLSA-N 1 2 338.842 3.946 20 0 EHADLO C[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000620368861 1125557805 /nfs/dbraw/zinc/55/78/05/1125557805.db2.gz UKIQGJWCMDSZPA-QGZVFWFLSA-N 1 2 339.483 3.807 20 0 EHADLO COc1cc(Br)c(C[NH2+]Cc2ccc(Cl)o2)cc1O ZINC000620438739 1125572453 /nfs/dbraw/zinc/57/24/53/1125572453.db2.gz INRMGHKERAZAJX-UHFFFAOYSA-N 1 2 346.608 3.700 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000153560208 1125631061 /nfs/dbraw/zinc/63/10/61/1125631061.db2.gz LBHZDVYBDVPPSL-DYVFJYSZSA-N 1 2 345.830 3.659 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000153836376 1125666693 /nfs/dbraw/zinc/66/66/93/1125666693.db2.gz ZHSOJEHAJYZZEZ-SFHVURJKSA-N 1 2 326.440 3.514 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000153836376 1125666695 /nfs/dbraw/zinc/66/66/95/1125666695.db2.gz ZHSOJEHAJYZZEZ-SFHVURJKSA-N 1 2 326.440 3.514 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000153964482 1125679268 /nfs/dbraw/zinc/67/92/68/1125679268.db2.gz MUIUKWRJEPDVFB-MSOLQXFVSA-N 1 2 329.488 3.797 20 0 EHADLO Cc1cc(C)cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000622546367 1126715497 /nfs/dbraw/zinc/71/54/97/1126715497.db2.gz TWVFTYZSTHEEBK-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1cc(C)cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000622546367 1126715501 /nfs/dbraw/zinc/71/55/01/1126715501.db2.gz TWVFTYZSTHEEBK-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cn1cc(Cl)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000171292135 1126760267 /nfs/dbraw/zinc/76/02/67/1126760267.db2.gz APBYRZKZPZSSPH-UHFFFAOYSA-N 1 2 335.194 3.770 20 0 EHADLO CCCCn1c(SCC2CCOCC2)nnc1[C@H](CC)[NH+](C)C ZINC000171860767 1126766959 /nfs/dbraw/zinc/76/69/59/1126766959.db2.gz TZRPZLBXYWWAIW-HNNXBMFYSA-N 1 2 340.537 3.610 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000671242948 1126811917 /nfs/dbraw/zinc/81/19/17/1126811917.db2.gz XIYGHOVVYPGAIG-FVQBIDKESA-N 1 2 329.444 3.527 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000671242948 1126811921 /nfs/dbraw/zinc/81/19/21/1126811921.db2.gz XIYGHOVVYPGAIG-FVQBIDKESA-N 1 2 329.444 3.527 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000174231052 1126850117 /nfs/dbraw/zinc/85/01/17/1126850117.db2.gz OEFINJCIPSDTDZ-CHWSQXEVSA-N 1 2 348.393 3.960 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(Cl)n1 ZINC000072688674 1126854056 /nfs/dbraw/zinc/85/40/56/1126854056.db2.gz KFZBIKAELLBCHF-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(Cl)n1 ZINC000072688674 1126854059 /nfs/dbraw/zinc/85/40/59/1126854059.db2.gz KFZBIKAELLBCHF-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C[C@@H](C)O2 ZINC000175061380 1126865476 /nfs/dbraw/zinc/86/54/76/1126865476.db2.gz UYKMFQCCEXBRAL-OAHLLOKOSA-N 1 2 333.391 3.608 20 0 EHADLO CCc1noc(C[NH2+][C@H](C)c2ccc(-c3csc(C)n3)cc2)n1 ZINC000623052900 1126867249 /nfs/dbraw/zinc/86/72/49/1126867249.db2.gz BXBBEHCHQLFUDR-LLVKDONJSA-N 1 2 328.441 3.915 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000623121717 1126880755 /nfs/dbraw/zinc/88/07/55/1126880755.db2.gz FOSHCJBIJLGTMF-UHFFFAOYSA-N 1 2 340.292 3.501 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000623121717 1126880760 /nfs/dbraw/zinc/88/07/60/1126880760.db2.gz FOSHCJBIJLGTMF-UHFFFAOYSA-N 1 2 340.292 3.501 20 0 EHADLO CC[C@@H](C[NH2+]Cc1cn[nH]c1C)Oc1ccccc1C(F)(F)F ZINC000175804320 1126881780 /nfs/dbraw/zinc/88/17/80/1126881780.db2.gz LLKGYCRGLPHHEU-ZDUSSCGKSA-N 1 2 327.350 3.684 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1=O ZINC000623232113 1126899277 /nfs/dbraw/zinc/89/92/77/1126899277.db2.gz VBCOJRBDEOXNKL-FUHWJXTLSA-N 1 2 342.439 3.666 20 0 EHADLO CO[C@@H](C[N@@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccc(Cl)cc1 ZINC000623262630 1126907837 /nfs/dbraw/zinc/90/78/37/1126907837.db2.gz JBBCJYZJJBBAJY-SFHVURJKSA-N 1 2 344.842 3.506 20 0 EHADLO CO[C@@H](C[N@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccc(Cl)cc1 ZINC000623262630 1126907840 /nfs/dbraw/zinc/90/78/40/1126907840.db2.gz JBBCJYZJJBBAJY-SFHVURJKSA-N 1 2 344.842 3.506 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000623251491 1126905838 /nfs/dbraw/zinc/90/58/38/1126905838.db2.gz KZYSPVPSGGLXRA-OAQYLSRUSA-N 1 2 345.446 3.838 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623262844 1126907594 /nfs/dbraw/zinc/90/75/94/1126907594.db2.gz RZDXFSBAARJFSX-AWEZNQCLSA-N 1 2 341.480 3.581 20 0 EHADLO CC(C)(CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)Cc1ccc(Cl)cc1 ZINC000623303190 1126911491 /nfs/dbraw/zinc/91/14/91/1126911491.db2.gz XDHGCCTYLPMKTB-MRXNPFEDSA-N 1 2 345.874 3.627 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000072916806 1126926098 /nfs/dbraw/zinc/92/60/98/1126926098.db2.gz OVRNRVBGJBNZDA-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000072916806 1126926100 /nfs/dbraw/zinc/92/61/00/1126926100.db2.gz OVRNRVBGJBNZDA-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000072915829 1126926133 /nfs/dbraw/zinc/92/61/33/1126926133.db2.gz RPRFEUJCMYDNGP-GDBMZVCRSA-N 1 2 335.517 3.613 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000072915829 1126926136 /nfs/dbraw/zinc/92/61/36/1126926136.db2.gz RPRFEUJCMYDNGP-GDBMZVCRSA-N 1 2 335.517 3.613 20 0 EHADLO COc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1OC1CC1 ZINC000623467997 1126961542 /nfs/dbraw/zinc/96/15/42/1126961542.db2.gz CAMCIBDKIHBNHT-UHFFFAOYSA-N 1 2 339.439 3.844 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462544 1126961215 /nfs/dbraw/zinc/96/12/15/1126961215.db2.gz NLLSQIPDDFGWGR-RDTXWAMCSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462544 1126961217 /nfs/dbraw/zinc/96/12/17/1126961217.db2.gz NLLSQIPDDFGWGR-RDTXWAMCSA-N 1 2 343.858 3.577 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000670271826 1126969543 /nfs/dbraw/zinc/96/95/43/1126969543.db2.gz QQBCTDVVMYXMDR-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000670271826 1126969546 /nfs/dbraw/zinc/96/95/46/1126969546.db2.gz QQBCTDVVMYXMDR-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000623504261 1126972138 /nfs/dbraw/zinc/97/21/38/1126972138.db2.gz HGLOMLJURZHTNA-RBUKOAKNSA-N 1 2 340.492 3.504 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(Br)cc(F)c1O ZINC000185698050 1126987909 /nfs/dbraw/zinc/98/79/09/1126987909.db2.gz CDONFFQHEJUGFD-WCBMZHEXSA-N 1 2 334.254 3.840 20 0 EHADLO COc1cc(C[NH2+]Cc2nccc(OC)c2F)cc(C(F)(F)F)c1 ZINC000623570595 1126989033 /nfs/dbraw/zinc/98/90/33/1126989033.db2.gz YHWMELSMHXUGSX-UHFFFAOYSA-N 1 2 344.308 3.547 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361839 1127059337 /nfs/dbraw/zinc/05/93/37/1127059337.db2.gz XPMATQABRHRQQC-IUIKQTSFSA-N 1 2 326.843 3.633 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361839 1127059342 /nfs/dbraw/zinc/05/93/42/1127059342.db2.gz XPMATQABRHRQQC-IUIKQTSFSA-N 1 2 326.843 3.633 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(OC(F)F)cc1 ZINC000179604533 1127074544 /nfs/dbraw/zinc/07/45/44/1127074544.db2.gz AZZDOQXJKXSKFB-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Br)c1)Cc1cnccn1 ZINC000179886430 1127098131 /nfs/dbraw/zinc/09/81/31/1127098131.db2.gz RUHJTSLPDYGTDO-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Br)c1)Cc1cnccn1 ZINC000179886430 1127098132 /nfs/dbraw/zinc/09/81/32/1127098132.db2.gz RUHJTSLPDYGTDO-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1C ZINC000179894817 1127098783 /nfs/dbraw/zinc/09/87/83/1127098783.db2.gz CKOZJVRQEBLPOH-RYUDHWBXSA-N 1 2 335.375 3.934 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)c(C)c1 ZINC000179906728 1127099468 /nfs/dbraw/zinc/09/94/68/1127099468.db2.gz ISBBWWMOZFTSKV-CQSZACIVSA-N 1 2 330.403 3.740 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921507750 1127134740 /nfs/dbraw/zinc/13/47/40/1127134740.db2.gz KNUIEPXYWPABGP-UHFFFAOYSA-N 1 2 329.444 3.856 20 0 EHADLO CCO[C@@H](C)c1nc(CN(C)Cc2cccc3[nH+]ccn32)cs1 ZINC000180516728 1127168276 /nfs/dbraw/zinc/16/82/76/1127168276.db2.gz GSGTXVRZCZRVKV-ZDUSSCGKSA-N 1 2 330.457 3.520 20 0 EHADLO CCCc1csc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000180620556 1127177710 /nfs/dbraw/zinc/17/77/10/1127177710.db2.gz MXZRBXAMOJPWBY-UHFFFAOYSA-N 1 2 333.461 3.504 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ncn(C)n1 ZINC000623965814 1127223823 /nfs/dbraw/zinc/22/38/23/1127223823.db2.gz WDLGKKTYKFFIMG-MEBBXXQBSA-N 1 2 329.835 3.678 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc(C)sc1C ZINC000624009075 1127231599 /nfs/dbraw/zinc/23/15/99/1127231599.db2.gz OFJNHPMKDCEGES-GJZGRUSLSA-N 1 2 334.489 3.966 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+][C@H]1CCCc3scnc31)CCc1ccccc1-2 ZINC000624017250 1127233864 /nfs/dbraw/zinc/23/38/64/1127233864.db2.gz UUWHUEOHIHYHJW-GJZGRUSLSA-N 1 2 336.464 3.983 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000181704084 1127289888 /nfs/dbraw/zinc/28/98/88/1127289888.db2.gz UVESJOJEUOMYBO-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000181704084 1127289891 /nfs/dbraw/zinc/28/98/91/1127289891.db2.gz UVESJOJEUOMYBO-KRWDZBQOSA-N 1 2 337.435 3.711 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000181762455 1127294795 /nfs/dbraw/zinc/29/47/95/1127294795.db2.gz GEERFHSXYGMYTJ-KRWDZBQOSA-N 1 2 342.487 3.968 20 0 EHADLO CC(C)OCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000182332806 1127324207 /nfs/dbraw/zinc/32/42/07/1127324207.db2.gz YYNQDRDYHBURSF-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO CC(C)OCCCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000182332806 1127324210 /nfs/dbraw/zinc/32/42/10/1127324210.db2.gz YYNQDRDYHBURSF-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO Clc1ccc2c(c1)CC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182884616 1127352233 /nfs/dbraw/zinc/35/22/33/1127352233.db2.gz YNPIYUXXRXPTBP-KRWDZBQOSA-N 1 2 329.831 3.671 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cnn1C ZINC000183403852 1127376489 /nfs/dbraw/zinc/37/64/89/1127376489.db2.gz XNTXCLASVVMRCO-ZDUSSCGKSA-N 1 2 326.469 3.627 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184161029 1127396409 /nfs/dbraw/zinc/39/64/09/1127396409.db2.gz GMXFYYRVCTVADT-GOSISDBHSA-N 1 2 344.455 3.838 20 0 EHADLO Cc1ccnn1-c1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000184304211 1127401436 /nfs/dbraw/zinc/40/14/36/1127401436.db2.gz ZVSAJEAMNFLLSR-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1nc(C(C)(C)C)cs1 ZINC000184451887 1127404676 /nfs/dbraw/zinc/40/46/76/1127404676.db2.gz RQNZCQMDSAQUPK-VHSXEESVSA-N 1 2 338.502 3.575 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1nccs1 ZINC000185046644 1127418696 /nfs/dbraw/zinc/41/86/96/1127418696.db2.gz XTNQKJWALZWLPB-SECBINFHSA-N 1 2 333.442 3.549 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1nccs1 ZINC000185051719 1127419447 /nfs/dbraw/zinc/41/94/47/1127419447.db2.gz LZFMAZIBEGXRGK-SMDDNHRTSA-N 1 2 337.876 3.715 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+](Cc3ccc(F)cc3F)C3CC3)cc12 ZINC000193464895 1127437794 /nfs/dbraw/zinc/43/77/94/1127437794.db2.gz YDUDDQUZKHSUCF-UHFFFAOYSA-N 1 2 342.393 3.720 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)cc12 ZINC000193464895 1127437796 /nfs/dbraw/zinc/43/77/96/1127437796.db2.gz YDUDDQUZKHSUCF-UHFFFAOYSA-N 1 2 342.393 3.720 20 0 EHADLO Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001127729987 1127443451 /nfs/dbraw/zinc/44/34/51/1127443451.db2.gz HUJIDWDCKSGDIK-UHFFFAOYSA-N 1 2 327.384 3.635 20 0 EHADLO c1[nH]c(CNc2ccccc2C[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000194382271 1127458607 /nfs/dbraw/zinc/45/86/07/1127458607.db2.gz WFUIFHWSRRHZQK-UHFFFAOYSA-N 1 2 348.450 3.521 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000764209274 1127463968 /nfs/dbraw/zinc/46/39/68/1127463968.db2.gz SETZRHHDOKITJU-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)C(F)(F)F ZINC000764463541 1127496993 /nfs/dbraw/zinc/49/69/93/1127496993.db2.gz OMBXHNIGZUSUCZ-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H](F)C(F)(F)F ZINC000764463541 1127496995 /nfs/dbraw/zinc/49/69/95/1127496995.db2.gz OMBXHNIGZUSUCZ-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000671437916 1127494534 /nfs/dbraw/zinc/49/45/34/1127494534.db2.gz PKPMBZMZOGMWFC-RYBIEJRYSA-N 1 2 325.456 3.514 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000671437916 1127494536 /nfs/dbraw/zinc/49/45/36/1127494536.db2.gz PKPMBZMZOGMWFC-RYBIEJRYSA-N 1 2 325.456 3.514 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1(C3CCC3)CCC1)C2 ZINC000654592692 1127586137 /nfs/dbraw/zinc/58/61/37/1127586137.db2.gz QGAZSMDEWJWUPN-AWEZNQCLSA-N 1 2 329.488 3.725 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1(C3CCC3)CCC1)CC2 ZINC000654592692 1127586142 /nfs/dbraw/zinc/58/61/42/1127586142.db2.gz QGAZSMDEWJWUPN-AWEZNQCLSA-N 1 2 329.488 3.725 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000015309585 1127652592 /nfs/dbraw/zinc/65/25/92/1127652592.db2.gz KIBFSYIVQXQSIE-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000015309585 1127652593 /nfs/dbraw/zinc/65/25/93/1127652593.db2.gz KIBFSYIVQXQSIE-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](CC)Cc2cccs2)c1C ZINC000019537871 1127677220 /nfs/dbraw/zinc/67/72/20/1127677220.db2.gz LJRDZWRQHUIHLC-UHFFFAOYSA-N 1 2 348.468 3.575 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](CC)Cc2cccs2)c1C ZINC000019537871 1127677224 /nfs/dbraw/zinc/67/72/24/1127677224.db2.gz LJRDZWRQHUIHLC-UHFFFAOYSA-N 1 2 348.468 3.575 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)c1C ZINC000024813974 1127711408 /nfs/dbraw/zinc/71/14/08/1127711408.db2.gz VDGGUDZDEXANNG-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)c1C ZINC000024813974 1127711411 /nfs/dbraw/zinc/71/14/11/1127711411.db2.gz VDGGUDZDEXANNG-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO Cc1ccc2[nH+]cc(CN3Cc4ccc(Br)cc4C3)n2c1 ZINC000765670784 1127722089 /nfs/dbraw/zinc/72/20/89/1127722089.db2.gz AYDMRTZWEXATAA-UHFFFAOYSA-N 1 2 342.240 3.921 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000355547803 1127735942 /nfs/dbraw/zinc/73/59/42/1127735942.db2.gz QRJUHOIVOCECAS-BRSBDYLESA-N 1 2 329.488 3.733 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728085 1127744632 /nfs/dbraw/zinc/74/46/32/1127744632.db2.gz UINJRPPUBNNPFK-YLJYHZDGSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728085 1127744633 /nfs/dbraw/zinc/74/46/33/1127744633.db2.gz UINJRPPUBNNPFK-YLJYHZDGSA-N 1 2 339.435 3.789 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000785439883 1127750759 /nfs/dbraw/zinc/75/07/59/1127750759.db2.gz RWQFUBBOCQHUGX-GJZGRUSLSA-N 1 2 329.465 3.770 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000785439883 1127750763 /nfs/dbraw/zinc/75/07/63/1127750763.db2.gz RWQFUBBOCQHUGX-GJZGRUSLSA-N 1 2 329.465 3.770 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000785439882 1127750929 /nfs/dbraw/zinc/75/09/29/1127750929.db2.gz RWQFUBBOCQHUGX-CABCVRRESA-N 1 2 329.465 3.770 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000785439882 1127750931 /nfs/dbraw/zinc/75/09/31/1127750931.db2.gz RWQFUBBOCQHUGX-CABCVRRESA-N 1 2 329.465 3.770 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026325303 1127771214 /nfs/dbraw/zinc/77/12/14/1127771214.db2.gz DZPNKPYETHLECT-NWDGAFQWSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026325303 1127771217 /nfs/dbraw/zinc/77/12/17/1127771217.db2.gz DZPNKPYETHLECT-NWDGAFQWSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152893 1127814550 /nfs/dbraw/zinc/81/45/50/1127814550.db2.gz BRXBEJOFLLJIDH-SCLBCKFNSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152893 1127814554 /nfs/dbraw/zinc/81/45/54/1127814554.db2.gz BRXBEJOFLLJIDH-SCLBCKFNSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030602610 1127822601 /nfs/dbraw/zinc/82/26/01/1127822601.db2.gz MFCCHPFWGIGWJJ-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000030608997 1127822848 /nfs/dbraw/zinc/82/28/48/1127822848.db2.gz UTSUPEHHPDAGRI-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3cc(Br)cc(C)c3C2)c(C)nn1 ZINC001168571184 1127865323 /nfs/dbraw/zinc/86/53/23/1127865323.db2.gz VJIIAXXCGGFIQX-UHFFFAOYSA-N 1 2 346.272 3.723 20 0 EHADLO Cc1cc(C[N@H+]2CCc3cc(Br)cc(C)c3C2)c(C)nn1 ZINC001168571184 1127865327 /nfs/dbraw/zinc/86/53/27/1127865327.db2.gz VJIIAXXCGGFIQX-UHFFFAOYSA-N 1 2 346.272 3.723 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc(F)ccc2o1 ZINC000338622852 1127920489 /nfs/dbraw/zinc/92/04/89/1127920489.db2.gz KJTGEFZFJFOKIO-CABCVRRESA-N 1 2 338.386 3.521 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc(F)ccc2o1 ZINC000338622852 1127920491 /nfs/dbraw/zinc/92/04/91/1127920491.db2.gz KJTGEFZFJFOKIO-CABCVRRESA-N 1 2 338.386 3.521 20 0 EHADLO Clc1ccc2c(c1)nccc2Nc1ccc[nH+]c1N1CCOCC1 ZINC001212354239 1127926245 /nfs/dbraw/zinc/92/62/45/1127926245.db2.gz KAYVHUDWRHYPHK-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)NCCn3cc[nH+]c3)cc2C1 ZINC000043945865 1127929379 /nfs/dbraw/zinc/92/93/79/1127929379.db2.gz ZHZIDJVWMGVXDA-AWEZNQCLSA-N 1 2 331.485 3.526 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438626 1127937010 /nfs/dbraw/zinc/93/70/10/1127937010.db2.gz LBVPFWCEAQWEPO-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438626 1127937014 /nfs/dbraw/zinc/93/70/14/1127937014.db2.gz LBVPFWCEAQWEPO-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000045773963 1127959933 /nfs/dbraw/zinc/95/99/33/1127959933.db2.gz YEKDJXDNKITPNO-ZDUSSCGKSA-N 1 2 348.393 3.995 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000045773963 1127959937 /nfs/dbraw/zinc/95/99/37/1127959937.db2.gz YEKDJXDNKITPNO-ZDUSSCGKSA-N 1 2 348.393 3.995 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCCO1 ZINC000186182091 1127969902 /nfs/dbraw/zinc/96/99/02/1127969902.db2.gz WXCBVXAHZOJUAJ-QCZZGDTMSA-N 1 2 346.240 3.902 20 0 EHADLO c1ccc(Oc2cccnc2)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212360137 1127980107 /nfs/dbraw/zinc/98/01/07/1127980107.db2.gz LEELIHIRWOGOLV-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO Clc1nc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2s1 ZINC001212360526 1127980247 /nfs/dbraw/zinc/98/02/47/1127980247.db2.gz VGPJJCVUSRWIMZ-UHFFFAOYSA-N 1 2 346.843 3.925 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccs3)no2)ccn1 ZINC000347523038 1128035519 /nfs/dbraw/zinc/03/55/19/1128035519.db2.gz AZSRBWMYUUFXJA-GHMZBOCLSA-N 1 2 330.413 3.614 20 0 EHADLO CC(C)COc1c(F)cccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366528 1128042323 /nfs/dbraw/zinc/04/23/23/1128042323.db2.gz RRUJWMKLLNJKQC-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccn1 ZINC000282185745 1128044610 /nfs/dbraw/zinc/04/46/10/1128044610.db2.gz ZUSYHXFPZLSEBH-LLVKDONJSA-N 1 2 334.445 3.736 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc(-c3ccco3)no2)ccc1SC ZINC000058528682 1128070937 /nfs/dbraw/zinc/07/09/37/1128070937.db2.gz IYIKDWBWHOGTAG-UHFFFAOYSA-N 1 2 345.424 3.692 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)ccc1SC ZINC000058528682 1128070941 /nfs/dbraw/zinc/07/09/41/1128070941.db2.gz IYIKDWBWHOGTAG-UHFFFAOYSA-N 1 2 345.424 3.692 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1C ZINC000058956910 1128086168 /nfs/dbraw/zinc/08/61/68/1128086168.db2.gz ZOWPCGPYEKSRJA-IRXDYDNUSA-N 1 2 342.414 3.608 20 0 EHADLO CC[N@@H+](Cc1nc(C)c2ccccc2n1)C[C@H]1COc2ccccc2O1 ZINC000107895880 1128086752 /nfs/dbraw/zinc/08/67/52/1128086752.db2.gz OHXCXVVAPNZJGJ-INIZCTEOSA-N 1 2 349.434 3.600 20 0 EHADLO CC[N@H+](Cc1nc(C)c2ccccc2n1)C[C@H]1COc2ccccc2O1 ZINC000107895880 1128086754 /nfs/dbraw/zinc/08/67/54/1128086754.db2.gz OHXCXVVAPNZJGJ-INIZCTEOSA-N 1 2 349.434 3.600 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000061526623 1128126161 /nfs/dbraw/zinc/12/61/61/1128126161.db2.gz FFOMBXHZRRMBPX-SFHVURJKSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(O)c1 ZINC000282255789 1128134290 /nfs/dbraw/zinc/13/42/90/1128134290.db2.gz JSGZROQEBJYBPH-QLFBSQMISA-N 1 2 327.428 3.574 20 0 EHADLO CC(C)c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000642584193 1128145060 /nfs/dbraw/zinc/14/50/60/1128145060.db2.gz DOICBCZLDNPPGL-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO CC(C)c1ccc(SCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000063704632 1128152970 /nfs/dbraw/zinc/15/29/70/1128152970.db2.gz IYESFFXACOCMDL-UHFFFAOYSA-N 1 2 329.469 3.525 20 0 EHADLO C[C@@H](COc1ccc(C(C)(C)C)cc1)Nc1[nH+]cnc2c1cnn2C ZINC000064030223 1128162179 /nfs/dbraw/zinc/16/21/79/1128162179.db2.gz JPVAHXTZWSGAPD-ZDUSSCGKSA-N 1 2 339.443 3.540 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109256006 1128188863 /nfs/dbraw/zinc/18/88/63/1128188863.db2.gz LIDGSNLGTWMGGQ-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](C)C(C)C ZINC000067698272 1128248089 /nfs/dbraw/zinc/24/80/89/1128248089.db2.gz BWSHJEUUDXNWGX-MRXNPFEDSA-N 1 2 328.460 3.507 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000068421560 1128266361 /nfs/dbraw/zinc/26/63/61/1128266361.db2.gz VYVDGFHGIKOAPF-DLBZAZTESA-N 1 2 343.858 3.847 20 0 EHADLO CCOC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000624366500 1128215279 /nfs/dbraw/zinc/21/52/79/1128215279.db2.gz CKPMZPHYAUWXQP-UHFFFAOYSA-N 1 2 328.243 3.642 20 0 EHADLO Cc1occc1C(=O)NC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000066890345 1128229644 /nfs/dbraw/zinc/22/96/44/1128229644.db2.gz FBXCOHYVEKIZMY-UHFFFAOYSA-N 1 2 347.484 3.562 20 0 EHADLO CCCCS[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523796 1128243297 /nfs/dbraw/zinc/24/32/97/1128243297.db2.gz LWQBKTSYUASKDT-ZDUSSCGKSA-N 1 2 335.448 3.549 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067104 1128281840 /nfs/dbraw/zinc/28/18/40/1128281840.db2.gz UKFTYJVDFZZORF-MGPUTAFESA-N 1 2 326.440 3.848 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067104 1128281843 /nfs/dbraw/zinc/28/18/43/1128281843.db2.gz UKFTYJVDFZZORF-MGPUTAFESA-N 1 2 326.440 3.848 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc2cnccc21 ZINC000073020668 1128314095 /nfs/dbraw/zinc/31/40/95/1128314095.db2.gz JHSPMXZHBPAGEX-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC1(c2ccccc2)CCCCC1 ZINC000073205960 1128318668 /nfs/dbraw/zinc/31/86/68/1128318668.db2.gz JJTJCBKSBQFSEL-UHFFFAOYSA-N 1 2 340.471 3.822 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC001671000075 1128428468 /nfs/dbraw/zinc/42/84/68/1128428468.db2.gz YLXDQJGYDPTHDB-HOTGVXAUSA-N 1 2 347.503 3.605 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC001671000075 1128428470 /nfs/dbraw/zinc/42/84/70/1128428470.db2.gz YLXDQJGYDPTHDB-HOTGVXAUSA-N 1 2 347.503 3.605 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@H](C)[S@]1=O ZINC000348549021 1128444248 /nfs/dbraw/zinc/44/42/48/1128444248.db2.gz RDAJOVHKJZMUQV-TUVUNVSASA-N 1 2 331.481 3.986 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@H](C)[S@]1=O ZINC000348549021 1128444250 /nfs/dbraw/zinc/44/42/50/1128444250.db2.gz RDAJOVHKJZMUQV-TUVUNVSASA-N 1 2 331.481 3.986 20 0 EHADLO c1ccc(-c2cc(CNc3cc(N4CCCC4)nc[nH+]3)ccn2)cc1 ZINC000624705197 1128462240 /nfs/dbraw/zinc/46/22/40/1128462240.db2.gz AZNLMVDKASVHKK-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO c1ccc(-c2cc(CNc3cc(N4CCCC4)[nH+]cn3)ccn2)cc1 ZINC000624705197 1128462247 /nfs/dbraw/zinc/46/22/47/1128462247.db2.gz AZNLMVDKASVHKK-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccc(C)o1 ZINC000347634107 1128484236 /nfs/dbraw/zinc/48/42/36/1128484236.db2.gz IRGOUNCJTJRXRQ-DLBZAZTESA-N 1 2 344.455 3.818 20 0 EHADLO Cc1cscc1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000347640939 1128503575 /nfs/dbraw/zinc/50/35/75/1128503575.db2.gz HOCSJSYUCWZVQL-UHFFFAOYSA-N 1 2 345.493 3.562 20 0 EHADLO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282289887 1128510237 /nfs/dbraw/zinc/51/02/37/1128510237.db2.gz LLMOJODBQILMQA-KRWDZBQOSA-N 1 2 348.450 3.721 20 0 EHADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000356250428 1128559228 /nfs/dbraw/zinc/55/92/28/1128559228.db2.gz RMTOROLXVRFPCY-GOSISDBHSA-N 1 2 331.435 3.597 20 0 EHADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000356250428 1128559230 /nfs/dbraw/zinc/55/92/30/1128559230.db2.gz RMTOROLXVRFPCY-GOSISDBHSA-N 1 2 331.435 3.597 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000369320514 1128526013 /nfs/dbraw/zinc/52/60/13/1128526013.db2.gz YTCLHNQAZOABGD-IKGGRYGDSA-N 1 2 332.492 3.524 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc(OC)c1 ZINC000542709679 1128552515 /nfs/dbraw/zinc/55/25/15/1128552515.db2.gz CBGJSVWKPYJPCC-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc(OC)c1 ZINC000542709679 1128552518 /nfs/dbraw/zinc/55/25/18/1128552518.db2.gz CBGJSVWKPYJPCC-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000465713015 1128579381 /nfs/dbraw/zinc/57/93/81/1128579381.db2.gz AWPBESBWOUDVRR-CABCVRRESA-N 1 2 344.434 3.732 20 0 EHADLO CC(C)n1cnc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000282307450 1128669803 /nfs/dbraw/zinc/66/98/03/1128669803.db2.gz LNNBKKRMOAXDSC-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000072677659 1128732318 /nfs/dbraw/zinc/73/23/18/1128732318.db2.gz ABZWHBVLCDLZAD-UHFFFAOYSA-N 1 2 340.452 3.791 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(O)c2ccccc2c1 ZINC000354442056 1128743106 /nfs/dbraw/zinc/74/31/06/1128743106.db2.gz VODXCGNDMPSFEK-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000265756279 1128776670 /nfs/dbraw/zinc/77/66/70/1128776670.db2.gz IYZNIYFTJYXJTE-YGRLFVJLSA-N 1 2 335.860 3.561 20 0 EHADLO CC[NH2+]Cc1noc(COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000843144804 1128788642 /nfs/dbraw/zinc/78/86/42/1128788642.db2.gz KATLQOIWHRUUDH-UHFFFAOYSA-N 1 2 336.606 3.718 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccccc1 ZINC000061780445 1128790781 /nfs/dbraw/zinc/79/07/81/1128790781.db2.gz SFYGWZBYOMAEJW-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccccc1 ZINC000061780445 1128790783 /nfs/dbraw/zinc/79/07/83/1128790783.db2.gz SFYGWZBYOMAEJW-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000672144048 1128796995 /nfs/dbraw/zinc/79/69/95/1128796995.db2.gz RZNQHOOCGLVBCZ-ZDUSSCGKSA-N 1 2 342.443 3.714 20 0 EHADLO Cc1ccc(C)c(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c1 ZINC000150929782 1128798644 /nfs/dbraw/zinc/79/86/44/1128798644.db2.gz LAHVDMIGJVYQHW-UHFFFAOYSA-N 1 2 325.456 3.519 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1F ZINC000656207399 1128816907 /nfs/dbraw/zinc/81/69/07/1128816907.db2.gz VYPZITDZDMOEOB-RHSMWYFYSA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1F ZINC000656207399 1128816910 /nfs/dbraw/zinc/81/69/10/1128816910.db2.gz VYPZITDZDMOEOB-RHSMWYFYSA-N 1 2 344.434 3.530 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)n1cc[nH+]c1 ZINC000077137457 1120031241 /nfs/dbraw/zinc/03/12/41/1120031241.db2.gz VKGWULJFAQCQMI-KXBFYZLASA-N 1 2 337.398 3.683 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3Cc4ccccc4CO3)ccc21 ZINC001670371759 1120044199 /nfs/dbraw/zinc/04/41/99/1120044199.db2.gz XNPNKLUGYBVJJP-UHFFFAOYSA-N 1 2 348.406 3.780 20 0 EHADLO CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000109931179 1120128922 /nfs/dbraw/zinc/12/89/22/1120128922.db2.gz HADWMXPNVNNFOF-AWEZNQCLSA-N 1 2 333.391 3.566 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]Cc3ccn(C4CCCC4)n3)cn2)cc1 ZINC000129040859 1120139920 /nfs/dbraw/zinc/13/99/20/1120139920.db2.gz OKFFKUXZYFXQFK-UHFFFAOYSA-N 1 2 339.418 3.613 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000129603009 1120149069 /nfs/dbraw/zinc/14/90/69/1120149069.db2.gz BRUHESSCLOETAB-CVEARBPZSA-N 1 2 334.423 3.638 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)CCC[N@H+]3C)ccc1-n1cncn1 ZINC000123362422 1120183835 /nfs/dbraw/zinc/18/38/35/1120183835.db2.gz XXRBLOYXNCYETE-UHFFFAOYSA-N 1 2 333.439 3.570 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)CCC[N@@H+]3C)ccc1-n1cncn1 ZINC000123362422 1120183839 /nfs/dbraw/zinc/18/38/39/1120183839.db2.gz XXRBLOYXNCYETE-UHFFFAOYSA-N 1 2 333.439 3.570 20 0 EHADLO CC[C@H](C)C[C@@H](C)Nc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001168694338 1128901636 /nfs/dbraw/zinc/90/16/36/1128901636.db2.gz MPAQXMVCNWFJNU-LSDHHAIUSA-N 1 2 328.460 3.703 20 0 EHADLO CCCCNc1ccccc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001648950797 1120252244 /nfs/dbraw/zinc/25/22/44/1120252244.db2.gz CAADWGMAUOWFKX-FQEVSTJZSA-N 1 2 337.467 3.815 20 0 EHADLO CCCCNc1ccccc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001648950797 1120252248 /nfs/dbraw/zinc/25/22/48/1120252248.db2.gz CAADWGMAUOWFKX-FQEVSTJZSA-N 1 2 337.467 3.815 20 0 EHADLO [NH3+][C@@H](c1nc(-c2ccc(F)cc2Br)no1)c1ccccc1 ZINC000228257606 1120291775 /nfs/dbraw/zinc/29/17/75/1120291775.db2.gz KEGLOHLEUDGDCC-CYBMUJFWSA-N 1 2 348.175 3.686 20 0 EHADLO CCCOc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000185611897 1120421550 /nfs/dbraw/zinc/42/15/50/1120421550.db2.gz PQABOBWAWVJOQA-MRXNPFEDSA-N 1 2 345.512 3.811 20 0 EHADLO Cc1ncsc1/C=C/C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000188823538 1120509001 /nfs/dbraw/zinc/50/90/01/1120509001.db2.gz KWGSLWDAYOEYFE-AATRIKPKSA-N 1 2 348.497 3.546 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@H+](CCO)Cc2cccc(F)c2)s1 ZINC000494259115 1120519005 /nfs/dbraw/zinc/51/90/05/1120519005.db2.gz HOUSTILEUTUQOX-UHFFFAOYSA-N 1 2 348.365 3.604 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@@H+](CCO)Cc2cccc(F)c2)s1 ZINC000494259115 1120519007 /nfs/dbraw/zinc/51/90/07/1120519007.db2.gz HOUSTILEUTUQOX-UHFFFAOYSA-N 1 2 348.365 3.604 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000494303524 1120530337 /nfs/dbraw/zinc/53/03/37/1120530337.db2.gz KGXFHXYUAWGFMM-ZDUSSCGKSA-N 1 2 347.459 3.683 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000609196032 1120548601 /nfs/dbraw/zinc/54/86/01/1120548601.db2.gz STEHBZAPWKVGHU-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000609196032 1120548606 /nfs/dbraw/zinc/54/86/06/1120548606.db2.gz STEHBZAPWKVGHU-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO CCCCn1c(SC[C@@H]2CC[C@H](C)O2)nnc1[C@@H](CC)[NH+](C)C ZINC000189988363 1120620424 /nfs/dbraw/zinc/62/04/24/1120620424.db2.gz LKPZNDMWLRIZRJ-SOUVJXGZSA-N 1 2 340.537 3.751 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@@H](CO)c3sccc3C)o2)cc1 ZINC000494651721 1120706552 /nfs/dbraw/zinc/70/65/52/1120706552.db2.gz VNVXAJKAKOMLIH-HNNXBMFYSA-N 1 2 344.436 3.543 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000494628056 1120706610 /nfs/dbraw/zinc/70/66/10/1120706610.db2.gz AMGNLKULSZKOOC-ZDUSSCGKSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000192644480 1120741864 /nfs/dbraw/zinc/74/18/64/1120741864.db2.gz NPWLSVDIXUJRBL-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000192792965 1120748720 /nfs/dbraw/zinc/74/87/20/1120748720.db2.gz CFAXLYZRIWFQNU-HBWSCVEGSA-N 1 2 332.473 3.655 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000192792965 1120748723 /nfs/dbraw/zinc/74/87/23/1120748723.db2.gz CFAXLYZRIWFQNU-HBWSCVEGSA-N 1 2 332.473 3.655 20 0 EHADLO CC(C)c1noc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000193744435 1120795027 /nfs/dbraw/zinc/79/50/27/1120795027.db2.gz ROBOINNDBMISCD-AWEZNQCLSA-N 1 2 348.878 3.725 20 0 EHADLO Fc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1Oc1ccccc1 ZINC000761694180 1120820205 /nfs/dbraw/zinc/82/02/05/1120820205.db2.gz RIJORIVEMSPVAV-UHFFFAOYSA-N 1 2 343.398 3.957 20 0 EHADLO Fc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1Oc1ccccc1 ZINC000761694180 1120820206 /nfs/dbraw/zinc/82/02/06/1120820206.db2.gz RIJORIVEMSPVAV-UHFFFAOYSA-N 1 2 343.398 3.957 20 0 EHADLO CC[N@H+](Cc1cc(C)sc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000194361670 1120838003 /nfs/dbraw/zinc/83/80/03/1120838003.db2.gz PDBYSRFMLYNZQD-UHFFFAOYSA-N 1 2 327.453 3.624 20 0 EHADLO CC[N@@H+](Cc1cc(C)sc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000194361670 1120838006 /nfs/dbraw/zinc/83/80/06/1120838006.db2.gz PDBYSRFMLYNZQD-UHFFFAOYSA-N 1 2 327.453 3.624 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000194947338 1120872416 /nfs/dbraw/zinc/87/24/16/1120872416.db2.gz RJQMXBMDTNFHOU-GJZGRUSLSA-N 1 2 331.213 3.895 20 0 EHADLO CCN(c1[nH+]cnc2c1cnn2C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000194952145 1120872719 /nfs/dbraw/zinc/87/27/19/1120872719.db2.gz NMSXFORFRQSGMO-NSHDSACASA-N 1 2 349.360 3.970 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(OC2CCCCC2)cc1 ZINC000194978050 1120875479 /nfs/dbraw/zinc/87/54/79/1120875479.db2.gz GVJARLHFHMOHNE-UHFFFAOYSA-N 1 2 337.427 3.687 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1F ZINC000494998787 1120925763 /nfs/dbraw/zinc/92/57/63/1120925763.db2.gz QAIYDZGQWPNNDN-UHFFFAOYSA-N 1 2 327.403 3.743 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1F ZINC000494998787 1120925765 /nfs/dbraw/zinc/92/57/65/1120925765.db2.gz QAIYDZGQWPNNDN-UHFFFAOYSA-N 1 2 327.403 3.743 20 0 EHADLO Clc1cccc(Cl)c1OCCN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495005365 1120929578 /nfs/dbraw/zinc/92/95/78/1120929578.db2.gz JDQOWRLTVDFWTE-GFCCVEGCSA-N 1 2 340.254 3.975 20 0 EHADLO COc1ccc([C@H](NCC[NH+]2CCC2)c2ccccc2Cl)cc1 ZINC000495011466 1120930758 /nfs/dbraw/zinc/93/07/58/1120930758.db2.gz WSEBBSQDNOCGEV-IBGZPJMESA-N 1 2 330.859 3.733 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433195849 1120941223 /nfs/dbraw/zinc/94/12/23/1120941223.db2.gz ZEABXWLDFNMKCD-BLLLJJGKSA-N 1 2 334.261 3.766 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433195849 1120941225 /nfs/dbraw/zinc/94/12/25/1120941225.db2.gz ZEABXWLDFNMKCD-BLLLJJGKSA-N 1 2 334.261 3.766 20 0 EHADLO CCCCCn1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000495061500 1120943738 /nfs/dbraw/zinc/94/37/38/1120943738.db2.gz CTMILKUBZQJFDR-SFHVURJKSA-N 1 2 344.507 3.911 20 0 EHADLO Cc1cccn2cc(Cc3noc(/C=C/c4ccccc4F)n3)[nH+]c12 ZINC000761891794 1121003337 /nfs/dbraw/zinc/00/33/37/1121003337.db2.gz TUHOHTUAPUMAMM-CMDGGOBGSA-N 1 2 334.354 3.926 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000393364291 1121043877 /nfs/dbraw/zinc/04/38/77/1121043877.db2.gz AGTPWXUZRHPPEQ-HNNXBMFYSA-N 1 2 338.224 3.563 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000393364293 1121044496 /nfs/dbraw/zinc/04/44/96/1121044496.db2.gz AGTPWXUZRHPPEQ-OAHLLOKOSA-N 1 2 338.224 3.563 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC4(CCC4)C[C@@H]3C)c(=O)c2c(C)c1C ZINC000762140616 1121128154 /nfs/dbraw/zinc/12/81/54/1121128154.db2.gz HDDKERHYMNFQSI-NSHDSACASA-N 1 2 331.485 3.605 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC4(CCC4)C[C@@H]3C)c(=O)c2c(C)c1C ZINC000762140616 1121128158 /nfs/dbraw/zinc/12/81/58/1121128158.db2.gz HDDKERHYMNFQSI-NSHDSACASA-N 1 2 331.485 3.605 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ncccc1C(F)(F)F ZINC000762213122 1121183107 /nfs/dbraw/zinc/18/31/07/1121183107.db2.gz XFCUUTBYYBZUHR-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(-c2ccccc2)c1 ZINC000495624986 1121316665 /nfs/dbraw/zinc/31/66/65/1121316665.db2.gz NRZSNQPTLWGGQG-UHFFFAOYSA-N 1 2 332.407 3.982 20 0 EHADLO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127366555 1121407155 /nfs/dbraw/zinc/40/71/55/1121407155.db2.gz ZIIOJVORITVMBH-INIZCTEOSA-N 1 2 327.428 3.561 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3sccc3C)o2)cc1 ZINC000053781475 1121446035 /nfs/dbraw/zinc/44/60/35/1121446035.db2.gz XYGWAZSTBDTXGG-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3sccc3C)o2)cc1 ZINC000053781475 1121446039 /nfs/dbraw/zinc/44/60/39/1121446039.db2.gz XYGWAZSTBDTXGG-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CCCC[C@@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001272624239 1121526625 /nfs/dbraw/zinc/52/66/25/1121526625.db2.gz MSVASNBGKSAMBS-OAHLLOKOSA-N 1 2 349.544 3.702 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001168498945 1121630223 /nfs/dbraw/zinc/63/02/23/1121630223.db2.gz ACAVJXVVRJDWFX-YOEHRIQHSA-N 1 2 326.406 3.562 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001168499178 1121631795 /nfs/dbraw/zinc/63/17/95/1121631795.db2.gz XEYHSZBAZHXAOI-UZLBHIALSA-N 1 2 329.415 3.537 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001168499178 1121631801 /nfs/dbraw/zinc/63/18/01/1121631801.db2.gz XEYHSZBAZHXAOI-UZLBHIALSA-N 1 2 329.415 3.537 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C(F)=C2CCCC2)c1)[NH+]1CCOCC1 ZINC000763044101 1121665651 /nfs/dbraw/zinc/66/56/51/1121665651.db2.gz WAPOYDSQHICGEA-AWEZNQCLSA-N 1 2 332.419 3.816 20 0 EHADLO CCCCC1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000049934804 1121705656 /nfs/dbraw/zinc/70/56/56/1121705656.db2.gz CGOKJBPJQHLZJA-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccccc1SCc1cccs1 ZINC000356789088 1129006226 /nfs/dbraw/zinc/00/62/26/1129006226.db2.gz TUMNETGRZXCURQ-UHFFFAOYSA-N 1 2 343.477 3.704 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccccc2)on1 ZINC000054224379 1121749140 /nfs/dbraw/zinc/74/91/40/1121749140.db2.gz CEAOKHJIIJIUQX-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC2(C)CCCCCC2)C1 ZINC000444128607 1121868761 /nfs/dbraw/zinc/86/87/61/1121868761.db2.gz MDBKBSOKGCMNRQ-MRXNPFEDSA-N 1 2 332.492 3.670 20 0 EHADLO O=C(CC[N@@H+]1Cc2cccc(Cl)c2C1)N1CCc2ccccc21 ZINC000347466803 1121880212 /nfs/dbraw/zinc/88/02/12/1121880212.db2.gz ZABNTCYMHCZLRF-UHFFFAOYSA-N 1 2 326.827 3.635 20 0 EHADLO O=C(CC[N@H+]1Cc2cccc(Cl)c2C1)N1CCc2ccccc21 ZINC000347466803 1121880223 /nfs/dbraw/zinc/88/02/23/1121880223.db2.gz ZABNTCYMHCZLRF-UHFFFAOYSA-N 1 2 326.827 3.635 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000648914329 1121884300 /nfs/dbraw/zinc/88/43/00/1121884300.db2.gz QUDGKCYPCPWKLK-ZDUSSCGKSA-N 1 2 340.814 3.562 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(C2SCCCS2)cc1 ZINC000763286819 1121941008 /nfs/dbraw/zinc/94/10/08/1121941008.db2.gz JGHBCKKRJXCFEB-UHFFFAOYSA-N 1 2 348.493 3.999 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(N3CCc4ccccc43)CC2)n1 ZINC000282134920 1121983249 /nfs/dbraw/zinc/98/32/49/1121983249.db2.gz ROKZBRRIJYFOFI-OAHLLOKOSA-N 1 2 340.471 3.781 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000672622481 1129028545 /nfs/dbraw/zinc/02/85/45/1129028545.db2.gz YZJMMDUHFMWFSW-BBRMVZONSA-N 1 2 335.398 3.838 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444206688 1122234722 /nfs/dbraw/zinc/23/47/22/1122234722.db2.gz RYDOXMPITZGPLH-INIZCTEOSA-N 1 2 334.508 3.770 20 0 EHADLO c1[nH+]c2cc(NC3(c4cccnn4)CC3)ccc2n1-c1ccccc1 ZINC001168513434 1122268321 /nfs/dbraw/zinc/26/83/21/1122268321.db2.gz HIJILKRYIQBHET-UHFFFAOYSA-N 1 2 327.391 3.917 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C)cc1OC)c1ccccc1 ZINC000124559197 1122287972 /nfs/dbraw/zinc/28/79/72/1122287972.db2.gz ZTDJGCGTQLCBQC-FQEVSTJZSA-N 1 2 340.467 3.703 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000125945835 1122364016 /nfs/dbraw/zinc/36/40/16/1122364016.db2.gz RRTNRRHESSOEKM-SFHVURJKSA-N 1 2 340.810 3.916 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126176438 1122391904 /nfs/dbraw/zinc/39/19/04/1122391904.db2.gz FAFXUIVLCUYDRS-QFBILLFUSA-N 1 2 339.483 3.833 20 0 EHADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000126898580 1122451320 /nfs/dbraw/zinc/45/13/20/1122451320.db2.gz RZRUFYSCVPPNOL-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000126898580 1122451323 /nfs/dbraw/zinc/45/13/23/1122451323.db2.gz RZRUFYSCVPPNOL-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000127137763 1122465008 /nfs/dbraw/zinc/46/50/08/1122465008.db2.gz BUUDKIQDAODERR-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000127137763 1122465010 /nfs/dbraw/zinc/46/50/10/1122465010.db2.gz BUUDKIQDAODERR-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000127676870 1122501377 /nfs/dbraw/zinc/50/13/77/1122501377.db2.gz UOVJKPWTBVTSON-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000127676870 1122501379 /nfs/dbraw/zinc/50/13/79/1122501379.db2.gz UOVJKPWTBVTSON-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccoc1)c1ccc(Cl)cc1Cl ZINC000497469875 1122558285 /nfs/dbraw/zinc/55/82/85/1122558285.db2.gz DRUHILPAZBYWQC-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccoc1)c1ccc(Cl)cc1Cl ZINC000497469875 1122558288 /nfs/dbraw/zinc/55/82/88/1122558288.db2.gz DRUHILPAZBYWQC-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO CC[N@H+](Cn1nnn(-c2ccc(C)c(C)c2)c1=S)C1CCCC1 ZINC000917465016 1122614893 /nfs/dbraw/zinc/61/48/93/1122614893.db2.gz ICDVCMLFRVDGIH-UHFFFAOYSA-N 1 2 331.489 3.637 20 0 EHADLO CC[N@@H+](Cn1nnn(-c2ccc(C)c(C)c2)c1=S)C1CCCC1 ZINC000917465016 1122614894 /nfs/dbraw/zinc/61/48/94/1122614894.db2.gz ICDVCMLFRVDGIH-UHFFFAOYSA-N 1 2 331.489 3.637 20 0 EHADLO CCN(c1ccc(C(=O)NNc2cc[nH+]cc2Cl)cc1)C(C)C ZINC000154708431 1122791926 /nfs/dbraw/zinc/79/19/26/1122791926.db2.gz XFPDGXDITUWQHH-UHFFFAOYSA-N 1 2 332.835 3.727 20 0 EHADLO CC[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000444887469 1122867872 /nfs/dbraw/zinc/86/78/72/1122867872.db2.gz NFCXOQLGXMYWND-SJLPKXTDSA-N 1 2 340.471 3.503 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(F)cc1 ZINC000498349884 1122880176 /nfs/dbraw/zinc/88/01/76/1122880176.db2.gz LYQQRLDAYZEVEA-MLGOLLRUSA-N 1 2 334.460 3.884 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCSc2ccccc2)c2cnn[nH]2)cc1 ZINC000556263774 1122905265 /nfs/dbraw/zinc/90/52/65/1122905265.db2.gz ISSLLTWDBZDWGJ-GOSISDBHSA-N 1 2 342.443 3.805 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCSc2ccccc2)c2cn[nH]n2)cc1 ZINC000556263774 1122905267 /nfs/dbraw/zinc/90/52/67/1122905267.db2.gz ISSLLTWDBZDWGJ-GOSISDBHSA-N 1 2 342.443 3.805 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(F)c4ccccc4c3)n2)C1 ZINC000556309268 1122921687 /nfs/dbraw/zinc/92/16/87/1122921687.db2.gz XJURFSMDWHQCGC-KRWDZBQOSA-N 1 2 341.386 3.811 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(F)c4ccccc4c3)n2)C1 ZINC000556309268 1122921690 /nfs/dbraw/zinc/92/16/90/1122921690.db2.gz XJURFSMDWHQCGC-KRWDZBQOSA-N 1 2 341.386 3.811 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505338 1123003176 /nfs/dbraw/zinc/00/31/76/1123003176.db2.gz IHWUSAPFNJFLTN-SNVBAGLBSA-N 1 2 349.784 3.726 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000556632870 1123066827 /nfs/dbraw/zinc/06/68/27/1123066827.db2.gz JMLLNQCYXIFVET-UHFFFAOYSA-N 1 2 349.438 3.692 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000556689469 1123084625 /nfs/dbraw/zinc/08/46/25/1123084625.db2.gz ZEKIOYXIEQIWNB-GDBMZVCRSA-N 1 2 331.847 3.757 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1F ZINC000131380573 1123094282 /nfs/dbraw/zinc/09/42/82/1123094282.db2.gz JYYDYBXRJBNKCG-KBPBESRZSA-N 1 2 340.402 3.827 20 0 EHADLO COc1ccc(SCCCn2cc[nH+]c2)cc1Br ZINC000919604128 1123094681 /nfs/dbraw/zinc/09/46/81/1123094681.db2.gz PRKAEIPAFSQMMS-UHFFFAOYSA-N 1 2 327.247 3.837 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000131482135 1123119466 /nfs/dbraw/zinc/11/94/66/1123119466.db2.gz MWMHVFDMIUXWKT-UTKZUKDTSA-N 1 2 345.446 3.962 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000672888528 1129101038 /nfs/dbraw/zinc/10/10/38/1129101038.db2.gz GKFYKWGTNXKLCY-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000556813229 1123134142 /nfs/dbraw/zinc/13/41/42/1123134142.db2.gz CTESOLMAPQPGOG-NRFANRHFSA-N 1 2 339.435 3.650 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000556813229 1123134143 /nfs/dbraw/zinc/13/41/43/1123134143.db2.gz CTESOLMAPQPGOG-NRFANRHFSA-N 1 2 339.435 3.650 20 0 EHADLO CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672888537 1129101247 /nfs/dbraw/zinc/10/12/47/1129101247.db2.gz MQUYOYFHTVFLQJ-UHFFFAOYSA-N 1 2 347.374 3.773 20 0 EHADLO Cc1sc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)c(C)c1C ZINC000072674412 1123141011 /nfs/dbraw/zinc/14/10/11/1123141011.db2.gz MKIBWLDDRBMNOL-UHFFFAOYSA-N 1 2 341.436 3.877 20 0 EHADLO Cn1c(C[N@H+](C)C2c3ccccc3-c3ccccc32)nnc1C1CC1 ZINC000072694845 1123143339 /nfs/dbraw/zinc/14/33/39/1123143339.db2.gz LHWICHUFMILRRX-UHFFFAOYSA-N 1 2 330.435 3.894 20 0 EHADLO Cn1c(C[N@@H+](C)C2c3ccccc3-c3ccccc32)nnc1C1CC1 ZINC000072694845 1123143341 /nfs/dbraw/zinc/14/33/41/1123143341.db2.gz LHWICHUFMILRRX-UHFFFAOYSA-N 1 2 330.435 3.894 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000466020659 1129105592 /nfs/dbraw/zinc/10/55/92/1129105592.db2.gz JCKJJMCJGPNYHA-OXQOHEQNSA-N 1 2 346.434 3.775 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccs1 ZINC000078083451 1129100794 /nfs/dbraw/zinc/10/07/94/1129100794.db2.gz BPRVEIJQLNCQNE-AWEZNQCLSA-N 1 2 341.436 3.766 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000073712201 1123217143 /nfs/dbraw/zinc/21/71/43/1123217143.db2.gz BKPDOLBFNYSUPX-LJQANCHMSA-N 1 2 340.471 3.509 20 0 EHADLO COc1cc2c(cc1Cl)CN(Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000556961283 1123239355 /nfs/dbraw/zinc/23/93/55/1123239355.db2.gz NCEWEIJSXCCZDK-UHFFFAOYSA-N 1 2 341.842 3.863 20 0 EHADLO Cc1[nH]ncc1C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000556961559 1123240185 /nfs/dbraw/zinc/24/01/85/1123240185.db2.gz JELNVDCUYNTZSM-UHFFFAOYSA-N 1 2 339.361 3.996 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347476608 1123241133 /nfs/dbraw/zinc/24/11/33/1123241133.db2.gz OSHCFKDJMKIGEJ-QZTJIDSGSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347476608 1123241136 /nfs/dbraw/zinc/24/11/36/1123241136.db2.gz OSHCFKDJMKIGEJ-QZTJIDSGSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000920485582 1123374951 /nfs/dbraw/zinc/37/49/51/1123374951.db2.gz UGGDTJBXUJGKME-CQSZACIVSA-N 1 2 337.880 3.530 20 0 EHADLO CC(C)[C@H]1CCC[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000920485582 1123374954 /nfs/dbraw/zinc/37/49/54/1123374954.db2.gz UGGDTJBXUJGKME-CQSZACIVSA-N 1 2 337.880 3.530 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868418 1123434859 /nfs/dbraw/zinc/43/48/59/1123434859.db2.gz WYZIRUZYMMQJSN-CABCVRRESA-N 1 2 332.488 3.810 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000920868418 1123434861 /nfs/dbraw/zinc/43/48/61/1123434861.db2.gz WYZIRUZYMMQJSN-CABCVRRESA-N 1 2 332.488 3.810 20 0 EHADLO CC(C)CC[N@H+](C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000921049846 1123458786 /nfs/dbraw/zinc/45/87/86/1123458786.db2.gz GSOLGTUTIZWNPD-UHFFFAOYSA-N 1 2 329.227 3.525 20 0 EHADLO CC(C)CC[N@@H+](C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000921049846 1123458788 /nfs/dbraw/zinc/45/87/88/1123458788.db2.gz GSOLGTUTIZWNPD-UHFFFAOYSA-N 1 2 329.227 3.525 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1O ZINC000921147795 1123477084 /nfs/dbraw/zinc/47/70/84/1123477084.db2.gz VBTUPJTWKZDXBY-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)o1 ZINC000076546663 1123500246 /nfs/dbraw/zinc/50/02/46/1123500246.db2.gz WTERGKJYEVKPLA-LBPRGKRZSA-N 1 2 329.425 3.657 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)o1 ZINC000076546663 1123500248 /nfs/dbraw/zinc/50/02/48/1123500248.db2.gz WTERGKJYEVKPLA-LBPRGKRZSA-N 1 2 329.425 3.657 20 0 EHADLO CCCN(CCC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134717381 1123545625 /nfs/dbraw/zinc/54/56/25/1123545625.db2.gz IPRYEXKSSGVZMR-DLBZAZTESA-N 1 2 339.430 3.542 20 0 EHADLO CCCN(CCC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134717381 1123545629 /nfs/dbraw/zinc/54/56/29/1123545629.db2.gz IPRYEXKSSGVZMR-DLBZAZTESA-N 1 2 339.430 3.542 20 0 EHADLO C[C@@H](c1nnc(SCCCF)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000135061688 1123578508 /nfs/dbraw/zinc/57/85/08/1123578508.db2.gz OTCVODHHXQTHMY-NSHDSACASA-N 1 2 342.871 3.995 20 0 EHADLO CCc1ccccc1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000077849011 1123584252 /nfs/dbraw/zinc/58/42/52/1123584252.db2.gz YKCJJRWUJPWYAA-UHFFFAOYSA-N 1 2 341.455 3.611 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000064440850 1123618056 /nfs/dbraw/zinc/61/80/56/1123618056.db2.gz YJWWLGIVBWFOIG-LJQANCHMSA-N 1 2 339.483 3.536 20 0 EHADLO FC(F)(Br)C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000922126450 1129133775 /nfs/dbraw/zinc/13/37/75/1129133775.db2.gz ICQOKXOOMLFOIB-NWDGAFQWSA-N 1 2 326.225 3.549 20 0 EHADLO Cc1ccc(-c2csc(Cc3noc([C@@H](C)[NH+](C)C)n3)n2)cc1 ZINC000923762646 1123702734 /nfs/dbraw/zinc/70/27/34/1123702734.db2.gz MVJPEZATEZYASG-GFCCVEGCSA-N 1 2 328.441 3.715 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000610000958 1123709941 /nfs/dbraw/zinc/70/99/41/1123709941.db2.gz GADCLXGWATZYDX-LBPRGKRZSA-N 1 2 341.398 3.538 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000610004677 1123711368 /nfs/dbraw/zinc/71/13/68/1123711368.db2.gz XFDZMUWMVPHCIT-APBUJDDRSA-N 1 2 338.325 3.538 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000610004677 1123711372 /nfs/dbraw/zinc/71/13/72/1123711372.db2.gz XFDZMUWMVPHCIT-APBUJDDRSA-N 1 2 338.325 3.538 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000136860234 1123733515 /nfs/dbraw/zinc/73/35/15/1123733515.db2.gz CPKYFHITHYZSSR-UHFFFAOYSA-N 1 2 341.329 3.961 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000615333489 1123782790 /nfs/dbraw/zinc/78/27/90/1123782790.db2.gz CUWDUGHBHLUYCF-UONOGXRCSA-N 1 2 332.394 3.629 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081687587 1123875622 /nfs/dbraw/zinc/87/56/22/1123875622.db2.gz JKLKJCWFEUYXMC-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081687587 1123875626 /nfs/dbraw/zinc/87/56/26/1123875626.db2.gz JKLKJCWFEUYXMC-BBRMVZONSA-N 1 2 347.459 3.514 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245650904 1123910721 /nfs/dbraw/zinc/91/07/21/1123910721.db2.gz DKWFFLRECSKARB-IAGOWNOFSA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245650904 1123910725 /nfs/dbraw/zinc/91/07/25/1123910725.db2.gz DKWFFLRECSKARB-IAGOWNOFSA-N 1 2 349.356 3.671 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698381 1123930715 /nfs/dbraw/zinc/93/07/15/1123930715.db2.gz MWDJMCKUBHEXFB-UZLBHIALSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000245698381 1123930718 /nfs/dbraw/zinc/93/07/18/1123930718.db2.gz MWDJMCKUBHEXFB-UZLBHIALSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@@H](c2ccsc2)O1 ZINC000245770550 1123949940 /nfs/dbraw/zinc/94/99/40/1123949940.db2.gz RQSJHKIXNQSSLP-KUHUBIRLSA-N 1 2 327.449 3.986 20 0 EHADLO C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@@H](c2ccsc2)O1 ZINC000245770550 1123949945 /nfs/dbraw/zinc/94/99/45/1123949945.db2.gz RQSJHKIXNQSSLP-KUHUBIRLSA-N 1 2 327.449 3.986 20 0 EHADLO COc1c(F)ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1F ZINC001212494398 1129155778 /nfs/dbraw/zinc/15/57/78/1129155778.db2.gz HNVGFLNDPKFUKK-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328499 1123983685 /nfs/dbraw/zinc/98/36/85/1123983685.db2.gz MGQHECXUIASBKD-WJFTUGDTSA-N 1 2 337.467 3.708 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000180323778 1123987733 /nfs/dbraw/zinc/98/77/33/1123987733.db2.gz MYQYLXJYAMMRTJ-LDADJPATSA-N 1 2 345.446 3.960 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1CC(F)(F)F ZINC000246144499 1124031687 /nfs/dbraw/zinc/03/16/87/1124031687.db2.gz CGUBVBLFQSVWJI-YPMHNXCESA-N 1 2 348.434 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1CC(F)(F)F ZINC000246144499 1124031693 /nfs/dbraw/zinc/03/16/93/1124031693.db2.gz CGUBVBLFQSVWJI-YPMHNXCESA-N 1 2 348.434 3.676 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2F)c1 ZINC000068867078 1124045371 /nfs/dbraw/zinc/04/53/71/1124045371.db2.gz NLKPZWADGGDETE-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2F)c1 ZINC000068867078 1124045375 /nfs/dbraw/zinc/04/53/75/1124045375.db2.gz NLKPZWADGGDETE-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO Cc1cc[nH+]c(NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1 ZINC000180703076 1124050838 /nfs/dbraw/zinc/05/08/38/1124050838.db2.gz HHHASALMYIODGP-LLVKDONJSA-N 1 2 344.465 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000246208421 1124054403 /nfs/dbraw/zinc/05/44/03/1124054403.db2.gz XYCKMFAOCBWESB-QAPCUYQASA-N 1 2 346.496 3.684 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000246208421 1124054407 /nfs/dbraw/zinc/05/44/07/1124054407.db2.gz XYCKMFAOCBWESB-QAPCUYQASA-N 1 2 346.496 3.684 20 0 EHADLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180777388 1124071709 /nfs/dbraw/zinc/07/17/09/1124071709.db2.gz BUWYRBKPVBSJFX-CYBMUJFWSA-N 1 2 325.836 3.601 20 0 EHADLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180777388 1124071711 /nfs/dbraw/zinc/07/17/11/1124071711.db2.gz BUWYRBKPVBSJFX-CYBMUJFWSA-N 1 2 325.836 3.601 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c1C ZINC000734525923 1131246707 /nfs/dbraw/zinc/24/67/07/1131246707.db2.gz QWGDPWZDJSATGM-CZUORRHYSA-N 1 2 333.476 3.723 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000617249710 1124456529 /nfs/dbraw/zinc/45/65/29/1124456529.db2.gz WMSQYQLVHWIAKJ-LBPRGKRZSA-N 1 2 332.835 3.558 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181054045 1124497340 /nfs/dbraw/zinc/49/73/40/1124497340.db2.gz SHKNLZQGVOTABA-HNNXBMFYSA-N 1 2 345.443 3.689 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181054045 1124497348 /nfs/dbraw/zinc/49/73/48/1124497348.db2.gz SHKNLZQGVOTABA-HNNXBMFYSA-N 1 2 345.443 3.689 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617515541 1124621032 /nfs/dbraw/zinc/62/10/32/1124621032.db2.gz GFRWQWFWIZYBPQ-LJQANCHMSA-N 1 2 345.874 3.630 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC(C2CCC2)CC1 ZINC000617770905 1124770823 /nfs/dbraw/zinc/77/08/23/1124770823.db2.gz ZTUADOODJUDUFQ-LJQANCHMSA-N 1 2 337.467 3.970 20 0 EHADLO COc1cc(C[N@H+](Cc2nc(C)c3ccccc3n2)C2CC2)ccc1O ZINC000089974094 1124878200 /nfs/dbraw/zinc/87/82/00/1124878200.db2.gz XODIJMJYNFSXDQ-UHFFFAOYSA-N 1 2 349.434 3.817 20 0 EHADLO COc1cc(C[N@@H+](Cc2nc(C)c3ccccc3n2)C2CC2)ccc1O ZINC000089974094 1124878206 /nfs/dbraw/zinc/87/82/06/1124878206.db2.gz XODIJMJYNFSXDQ-UHFFFAOYSA-N 1 2 349.434 3.817 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1=Cc2cc(F)ccc2OC1 ZINC000090499661 1124915195 /nfs/dbraw/zinc/91/51/95/1124915195.db2.gz WUDBHAYJBLWAOT-UHFFFAOYSA-N 1 2 335.338 3.630 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000181983520 1125109401 /nfs/dbraw/zinc/10/94/01/1125109401.db2.gz FANALMUDFSVGDN-MRXNPFEDSA-N 1 2 335.350 3.634 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1nc(-c2ccco2)no1)CC1CC1 ZINC000618609689 1125124205 /nfs/dbraw/zinc/12/42/05/1125124205.db2.gz QIMULXUAYGHLSP-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1nc(-c2ccco2)no1)CC1CC1 ZINC000618609689 1125124209 /nfs/dbraw/zinc/12/42/09/1125124209.db2.gz QIMULXUAYGHLSP-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO Fc1ccccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918773 1125171743 /nfs/dbraw/zinc/17/17/43/1125171743.db2.gz VQNBDHHTCGMRHT-UHFFFAOYSA-N 1 2 325.265 3.668 20 0 EHADLO C[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@H](c2ccsc2)O1 ZINC000093768948 1125304354 /nfs/dbraw/zinc/30/43/54/1125304354.db2.gz RQSJHKIXNQSSLP-IFXJQAMLSA-N 1 2 327.449 3.986 20 0 EHADLO C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@H](c2ccsc2)O1 ZINC000093768948 1125304360 /nfs/dbraw/zinc/30/43/60/1125304360.db2.gz RQSJHKIXNQSSLP-IFXJQAMLSA-N 1 2 327.449 3.986 20 0 EHADLO Cc1cc([C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)c(O)cc1Cl ZINC000619380112 1125343299 /nfs/dbraw/zinc/34/32/99/1125343299.db2.gz RWRAAEUFDBCQNU-KBPBESRZSA-N 1 2 347.846 3.518 20 0 EHADLO O=C(NCCCC1CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152682162 1125369001 /nfs/dbraw/zinc/36/90/01/1125369001.db2.gz VMIZKSWAVNHTSV-OALUTQOASA-N 1 2 338.455 3.601 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000619705609 1125384924 /nfs/dbraw/zinc/38/49/24/1125384924.db2.gz VBPVVCZEEKWIJU-HZSPNIEDSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000619705609 1125384926 /nfs/dbraw/zinc/38/49/26/1125384926.db2.gz VBPVVCZEEKWIJU-HZSPNIEDSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000619705610 1125385030 /nfs/dbraw/zinc/38/50/30/1125385030.db2.gz VBPVVCZEEKWIJU-IHRRRGAJSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000619705610 1125385031 /nfs/dbraw/zinc/38/50/31/1125385031.db2.gz VBPVVCZEEKWIJU-IHRRRGAJSA-N 1 2 338.521 3.931 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000619760574 1125397012 /nfs/dbraw/zinc/39/70/12/1125397012.db2.gz PSJCXAIJTNEJSE-QGZVFWFLSA-N 1 2 327.815 3.658 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619946890 1125432380 /nfs/dbraw/zinc/43/23/80/1125432380.db2.gz PQYRRBUHNWKQBD-SJLPKXTDSA-N 1 2 344.503 3.697 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000619961921 1125438206 /nfs/dbraw/zinc/43/82/06/1125438206.db2.gz IGCMLYPTHKLKEJ-NXVRBGIVSA-N 1 2 329.419 3.578 20 0 EHADLO Cc1cc2occ(CC(=O)OCc3c[nH+]cn3C)c2cc1C(C)C ZINC000085988948 1129189149 /nfs/dbraw/zinc/18/91/49/1129189149.db2.gz OOGCGKBZHIRGHN-UHFFFAOYSA-N 1 2 326.396 3.884 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077135 1129206557 /nfs/dbraw/zinc/20/65/57/1129206557.db2.gz WXCWVXKTWSYWDO-HUUCEWRRSA-N 1 2 347.459 3.986 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077135 1129206562 /nfs/dbraw/zinc/20/65/62/1129206562.db2.gz WXCWVXKTWSYWDO-HUUCEWRRSA-N 1 2 347.459 3.986 20 0 EHADLO CCn1c(C[N@H+](C)Cc2ccc(OC)cc2)nc2cc(F)ccc21 ZINC000066828444 1129215045 /nfs/dbraw/zinc/21/50/45/1129215045.db2.gz FHCIAJQILMCSIP-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2ccc(OC)cc2)nc2cc(F)ccc21 ZINC000066828444 1129215049 /nfs/dbraw/zinc/21/50/49/1129215049.db2.gz FHCIAJQILMCSIP-UHFFFAOYSA-N 1 2 327.403 3.836 20 0 EHADLO CC(C)c1nc2cc(NC(=O)NCCNc3cccc[nH+]3)ccc2o1 ZINC000079268717 1129253072 /nfs/dbraw/zinc/25/30/72/1129253072.db2.gz ADUBHJAFVNRJHH-UHFFFAOYSA-N 1 2 339.399 3.580 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000357613898 1129280626 /nfs/dbraw/zinc/28/06/26/1129280626.db2.gz YQHQAMKKWNJYGA-LJQANCHMSA-N 1 2 342.487 3.815 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1C ZINC000080083014 1129323227 /nfs/dbraw/zinc/32/32/27/1129323227.db2.gz JGUCPLJWVPNPAS-UHFFFAOYSA-N 1 2 333.435 3.705 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1C ZINC000080083014 1129323233 /nfs/dbraw/zinc/32/32/33/1129323233.db2.gz JGUCPLJWVPNPAS-UHFFFAOYSA-N 1 2 333.435 3.705 20 0 EHADLO Nc1ccc(COC(=O)c2ccc(C3SCCCS3)cc2)c[nH+]1 ZINC000922199595 1129338537 /nfs/dbraw/zinc/33/85/37/1129338537.db2.gz MXFLWNRSLCNFOU-UHFFFAOYSA-N 1 2 346.477 3.890 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000466286976 1129363537 /nfs/dbraw/zinc/36/35/37/1129363537.db2.gz LTNODPHSVCJKSS-HNNXBMFYSA-N 1 2 344.434 3.733 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068407623 1129368649 /nfs/dbraw/zinc/36/86/49/1129368649.db2.gz UQELAVVFUSJBQT-UHFFFAOYSA-N 1 2 337.467 3.542 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143616924 1129371974 /nfs/dbraw/zinc/37/19/74/1129371974.db2.gz XHNFHZJHMYFIPJ-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143616924 1129371979 /nfs/dbraw/zinc/37/19/79/1129371979.db2.gz XHNFHZJHMYFIPJ-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000922219253 1129372566 /nfs/dbraw/zinc/37/25/66/1129372566.db2.gz SGLKTYMLBYPXGD-FQEVSTJZSA-N 1 2 346.478 3.768 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cc(Cl)ccc1F ZINC000068527561 1129378147 /nfs/dbraw/zinc/37/81/47/1129378147.db2.gz SQGNBEQRCWKXRV-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000068803862 1129400084 /nfs/dbraw/zinc/40/00/84/1129400084.db2.gz MEWYNSJUHDZTPX-GOSISDBHSA-N 1 2 349.434 3.558 20 0 EHADLO Cc1cccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000081317188 1129413023 /nfs/dbraw/zinc/41/30/23/1129413023.db2.gz QFRRIUDZPNIRMD-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000081325059 1129414173 /nfs/dbraw/zinc/41/41/73/1129414173.db2.gz SMNULGQBMSDDEG-KRWDZBQOSA-N 1 2 339.464 3.514 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1F ZINC000466390098 1129417000 /nfs/dbraw/zinc/41/70/00/1129417000.db2.gz UFHSARBBIYKMRS-ZDUSSCGKSA-N 1 2 333.712 3.720 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000069162519 1129428207 /nfs/dbraw/zinc/42/82/07/1129428207.db2.gz UFCCEPFEVYDKNK-HNNXBMFYSA-N 1 2 338.835 3.650 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000543366069 1129438746 /nfs/dbraw/zinc/43/87/46/1129438746.db2.gz JIGYPUDQXWXDCH-SFHVURJKSA-N 1 2 333.435 3.510 20 0 EHADLO CCS(=O)(=O)c1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000466439954 1129450379 /nfs/dbraw/zinc/45/03/79/1129450379.db2.gz BPLUQCULRMNNTA-UHFFFAOYSA-N 1 2 345.468 3.609 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000543393576 1129457841 /nfs/dbraw/zinc/45/78/41/1129457841.db2.gz JYBSWCWPRIIENT-UHFFFAOYSA-N 1 2 337.533 3.927 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3ccnn3C3CCC3)no2)c(F)c1 ZINC000922322253 1129464566 /nfs/dbraw/zinc/46/45/66/1129464566.db2.gz APQDVPPPDZSHRZ-UHFFFAOYSA-N 1 2 344.365 3.831 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@@H+](CCO[C@H]1CCCCO1)C2 ZINC000543444311 1129492350 /nfs/dbraw/zinc/49/23/50/1129492350.db2.gz JXFNIVUTFGIOHN-INIZCTEOSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@H+](CCO[C@H]1CCCCO1)C2 ZINC000543444311 1129492353 /nfs/dbraw/zinc/49/23/53/1129492353.db2.gz JXFNIVUTFGIOHN-INIZCTEOSA-N 1 2 330.255 3.895 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000499813060 1129518597 /nfs/dbraw/zinc/51/85/97/1129518597.db2.gz OJGYJIRHOJHGRG-JENIJYKNSA-N 1 2 338.536 3.599 20 0 EHADLO O=C(NC(C1CCC1)C1CCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922460489 1129541143 /nfs/dbraw/zinc/54/11/43/1129541143.db2.gz AFARAOVTSDPQPT-UHFFFAOYSA-N 1 2 342.487 3.636 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2nc3c(s2)CCC3)cc1OC ZINC000922473246 1129544933 /nfs/dbraw/zinc/54/49/33/1129544933.db2.gz SAYKGCPCHSROBG-UHFFFAOYSA-N 1 2 338.860 3.592 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OC ZINC000922582417 1129581851 /nfs/dbraw/zinc/58/18/51/1129581851.db2.gz MISZLHZZLROGRR-SFHVURJKSA-N 1 2 327.428 3.515 20 0 EHADLO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001168729180 1129587113 /nfs/dbraw/zinc/58/71/13/1129587113.db2.gz GVOFDOWVJJWMIL-GOSISDBHSA-N 1 2 344.842 3.525 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(C)ncn1 ZINC000428963509 1129646940 /nfs/dbraw/zinc/64/69/40/1129646940.db2.gz CYADABFJKZBOME-HNNXBMFYSA-N 1 2 346.272 3.884 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(C)ncn1 ZINC000428963509 1129646942 /nfs/dbraw/zinc/64/69/42/1129646942.db2.gz CYADABFJKZBOME-HNNXBMFYSA-N 1 2 346.272 3.884 20 0 EHADLO Cn1c[nH+]cc1CNc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000347730451 1129662082 /nfs/dbraw/zinc/66/20/82/1129662082.db2.gz ISFKCJHKZZWOQC-UHFFFAOYSA-N 1 2 340.814 3.938 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[S@@]1=O ZINC000347753482 1129686546 /nfs/dbraw/zinc/68/65/46/1129686546.db2.gz KKLGZNDPBNOWDQ-QHCPKHFHSA-N 1 2 335.513 3.523 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[S@@]1=O ZINC000347753482 1129686550 /nfs/dbraw/zinc/68/65/50/1129686550.db2.gz KKLGZNDPBNOWDQ-QHCPKHFHSA-N 1 2 335.513 3.523 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000021670985 1129730783 /nfs/dbraw/zinc/73/07/83/1129730783.db2.gz QMCGKMVITUPGDR-ZDUSSCGKSA-N 1 2 336.888 3.847 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000021670985 1129730785 /nfs/dbraw/zinc/73/07/85/1129730785.db2.gz QMCGKMVITUPGDR-ZDUSSCGKSA-N 1 2 336.888 3.847 20 0 EHADLO Cn1nc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)c2ccccc21 ZINC000393127587 1129736842 /nfs/dbraw/zinc/73/68/42/1129736842.db2.gz SZDBENSDOTXUTO-NRFANRHFSA-N 1 2 328.419 3.848 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133300 1129741520 /nfs/dbraw/zinc/74/15/20/1129741520.db2.gz YNWFTAVHKDZCTG-IRXDYDNUSA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000625133300 1129741522 /nfs/dbraw/zinc/74/15/22/1129741522.db2.gz YNWFTAVHKDZCTG-IRXDYDNUSA-N 1 2 327.827 3.668 20 0 EHADLO c1ccc2oc([C@@H]3CCC[N@@H+](Cc4noc(C5CCC5)n4)C3)nc2c1 ZINC000625230856 1129773117 /nfs/dbraw/zinc/77/31/17/1129773117.db2.gz NYVSYHWRFKNPSZ-CQSZACIVSA-N 1 2 338.411 3.858 20 0 EHADLO c1ccc2oc([C@@H]3CCC[N@H+](Cc4noc(C5CCC5)n4)C3)nc2c1 ZINC000625230856 1129773122 /nfs/dbraw/zinc/77/31/22/1129773122.db2.gz NYVSYHWRFKNPSZ-CQSZACIVSA-N 1 2 338.411 3.858 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC000625238620 1129776552 /nfs/dbraw/zinc/77/65/52/1129776552.db2.gz ZIWDFCOPSZDIJI-QWHCGFSZSA-N 1 2 346.368 3.619 20 0 EHADLO O=C(CCC(=O)c1cccc(F)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000347790391 1129783659 /nfs/dbraw/zinc/78/36/59/1129783659.db2.gz MSIRMKGFOSFPII-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCCC34CCOCC4)cc2)CCO1 ZINC000282428639 1129789750 /nfs/dbraw/zinc/78/97/50/1129789750.db2.gz DALNVUADUQPUAB-VQIMIIECSA-N 1 2 330.472 3.673 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673724188 1129811766 /nfs/dbraw/zinc/81/17/66/1129811766.db2.gz JTLAKCMANXRGGB-UHFFFAOYSA-N 1 2 333.391 3.670 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429120772 1129829271 /nfs/dbraw/zinc/82/92/71/1129829271.db2.gz CCJOQTXMLAVQJO-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429120772 1129829274 /nfs/dbraw/zinc/82/92/74/1129829274.db2.gz CCJOQTXMLAVQJO-DLBZAZTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(Cl)c3C)[nH+]c12 ZINC000673757492 1129831432 /nfs/dbraw/zinc/83/14/32/1129831432.db2.gz BBVYJHXQNDPKNJ-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673780614 1129842218 /nfs/dbraw/zinc/84/22/18/1129842218.db2.gz ZPIGPDAJAYPPLH-QGZVFWFLSA-N 1 2 328.460 3.549 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776556 1129844320 /nfs/dbraw/zinc/84/43/20/1129844320.db2.gz IBNIPLBICHTYPQ-MAUKXSAKSA-N 1 2 342.487 3.795 20 0 EHADLO Cc1cccn2cc(CCNc3ncnc4c5ccccc5oc43)[nH+]c12 ZINC000673817135 1129863479 /nfs/dbraw/zinc/86/34/79/1129863479.db2.gz MPGUTGJHNFPBIC-UHFFFAOYSA-N 1 2 343.390 3.987 20 0 EHADLO CC1(C)C[N@H+](Cc2coc(-c3ccccc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000625433190 1129869149 /nfs/dbraw/zinc/86/91/49/1129869149.db2.gz RDYGLWGVGZBPCI-IRXDYDNUSA-N 1 2 330.403 3.870 20 0 EHADLO CC1(C)C[N@@H+](Cc2coc(-c3ccccc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000625433190 1129869154 /nfs/dbraw/zinc/86/91/54/1129869154.db2.gz RDYGLWGVGZBPCI-IRXDYDNUSA-N 1 2 330.403 3.870 20 0 EHADLO Cc1cccc(F)c1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168745702 1129882394 /nfs/dbraw/zinc/88/23/94/1129882394.db2.gz YSGNMUFFXOTHIY-MRXNPFEDSA-N 1 2 332.806 3.574 20 0 EHADLO C[C@H](CC1CCOCC1)[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000133109342 1129932982 /nfs/dbraw/zinc/93/29/82/1129932982.db2.gz IPHLMJDKAQRQSC-VQIMIIECSA-N 1 2 347.499 3.734 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031005175 1129937131 /nfs/dbraw/zinc/93/71/31/1129937131.db2.gz LGGFQRUIMCENRC-LBPRGKRZSA-N 1 2 327.815 3.770 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031005175 1129937134 /nfs/dbraw/zinc/93/71/34/1129937134.db2.gz LGGFQRUIMCENRC-LBPRGKRZSA-N 1 2 327.815 3.770 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429185153 1129937418 /nfs/dbraw/zinc/93/74/18/1129937418.db2.gz VBZUWNZEQMONFC-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429185153 1129937420 /nfs/dbraw/zinc/93/74/20/1129937420.db2.gz VBZUWNZEQMONFC-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCCC[C@H]2c2cccn2C)nn1 ZINC000347865609 1129945005 /nfs/dbraw/zinc/94/50/05/1129945005.db2.gz ZWFSOYCYCOYICC-FQEVSTJZSA-N 1 2 335.455 3.641 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)nn1 ZINC000347865609 1129945008 /nfs/dbraw/zinc/94/50/08/1129945008.db2.gz ZWFSOYCYCOYICC-FQEVSTJZSA-N 1 2 335.455 3.641 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009231 1129956656 /nfs/dbraw/zinc/95/66/56/1129956656.db2.gz HQBPWGQNNDFBRA-JXFKEZNVSA-N 1 2 340.442 3.928 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009231 1129956657 /nfs/dbraw/zinc/95/66/57/1129956657.db2.gz HQBPWGQNNDFBRA-JXFKEZNVSA-N 1 2 340.442 3.928 20 0 EHADLO COc1ncc(Br)cc1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625654188 1129969572 /nfs/dbraw/zinc/96/95/72/1129969572.db2.gz QZCLPRZLIUMKNJ-NXEZZACHSA-N 1 2 349.219 3.576 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)NCc1ccccc1F ZINC000059390468 1129985370 /nfs/dbraw/zinc/98/53/70/1129985370.db2.gz VSAMZXYPYORUEA-SFHVURJKSA-N 1 2 346.833 3.932 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)NCc1ccccc1F ZINC000059390468 1129985371 /nfs/dbraw/zinc/98/53/71/1129985371.db2.gz VSAMZXYPYORUEA-SFHVURJKSA-N 1 2 346.833 3.932 20 0 EHADLO COC(=O)c1coc(C[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000171029578 1130001799 /nfs/dbraw/zinc/00/17/99/1130001799.db2.gz IFKSEHSWXFZJSB-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1coc(C[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000171029578 1130001803 /nfs/dbraw/zinc/00/18/03/1130001803.db2.gz IFKSEHSWXFZJSB-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO CCO[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCCCC2 ZINC000674282640 1130052286 /nfs/dbraw/zinc/05/22/86/1130052286.db2.gz JVAFAJKNQLDBOY-CVEARBPZSA-N 1 2 342.443 3.584 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674372035 1130078175 /nfs/dbraw/zinc/07/81/75/1130078175.db2.gz XGKXNNWLFJKYHT-PBHICJAKSA-N 1 2 342.468 3.578 20 0 EHADLO COC[C@@H]1CCC[N@@H+]1Cc1csc(COc2ccc(C)cc2)n1 ZINC000674466716 1130098703 /nfs/dbraw/zinc/09/87/03/1130098703.db2.gz NDWUOSOKYKHSNM-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO COC[C@@H]1CCC[N@H+]1Cc1csc(COc2ccc(C)cc2)n1 ZINC000674466716 1130098707 /nfs/dbraw/zinc/09/87/07/1130098707.db2.gz NDWUOSOKYKHSNM-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccccc2F)c1C ZINC000172343784 1130126128 /nfs/dbraw/zinc/12/61/28/1130126128.db2.gz TZNBGUWBWPZPSE-CYBMUJFWSA-N 1 2 344.430 3.683 20 0 EHADLO COC[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000674766974 1130192593 /nfs/dbraw/zinc/19/25/93/1130192593.db2.gz XWCPBEKPQNJPCZ-AWEZNQCLSA-N 1 2 347.484 3.569 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC23CCCCC3)c(C)[nH+]1 ZINC000658172954 1130230019 /nfs/dbraw/zinc/23/00/19/1130230019.db2.gz GBYUNFYBLPLZQS-MRXNPFEDSA-N 1 2 343.471 3.565 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000675022785 1130242423 /nfs/dbraw/zinc/24/24/23/1130242423.db2.gz CUHMFJXYQTTWTO-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO Fc1ccc(-c2nc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)co2)cc1 ZINC000675026487 1130242743 /nfs/dbraw/zinc/24/27/43/1130242743.db2.gz HJSWXBUZHUPUQZ-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030105 1130289187 /nfs/dbraw/zinc/28/91/87/1130289187.db2.gz WWYGURPXCVFKDI-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030105 1130289191 /nfs/dbraw/zinc/28/91/91/1130289191.db2.gz WWYGURPXCVFKDI-SFHVURJKSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)nnn1-c1ccc(C)cc1 ZINC000658242148 1130303883 /nfs/dbraw/zinc/30/38/83/1130303883.db2.gz XYCQAKJOFRJGNU-VLIAUNLRSA-N 1 2 348.450 3.928 20 0 EHADLO CC(C)c1cc(Br)ccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212537245 1130324716 /nfs/dbraw/zinc/32/47/16/1130324716.db2.gz GBGZQHVFPAEWPL-UHFFFAOYSA-N 1 2 347.216 3.867 20 0 EHADLO CCc1oc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000675460926 1130387227 /nfs/dbraw/zinc/38/72/27/1130387227.db2.gz YAYNGSAHZUXHIG-INIZCTEOSA-N 1 2 337.423 3.598 20 0 EHADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H](C)c1cc2ccccc2o1 ZINC000131461833 1130533533 /nfs/dbraw/zinc/53/35/33/1130533533.db2.gz PFBWIWDWQWNQSU-GOEBONIOSA-N 1 2 337.423 3.801 20 0 EHADLO O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727939164 1130612441 /nfs/dbraw/zinc/61/24/41/1130612441.db2.gz GBWMAQFUADMZSN-VQBCORBOSA-N 1 2 342.487 3.515 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccccc2C)C1 ZINC000728041204 1130619904 /nfs/dbraw/zinc/61/99/04/1130619904.db2.gz NCRICTFMYYDKMO-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccccc2C)C1 ZINC000728041204 1130619907 /nfs/dbraw/zinc/61/99/07/1130619907.db2.gz NCRICTFMYYDKMO-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000730063743 1130668188 /nfs/dbraw/zinc/66/81/88/1130668188.db2.gz SQNCWXWSYXYWSN-CYBMUJFWSA-N 1 2 328.441 3.548 20 0 EHADLO CC(C)c1ccccc1-n1ccn(C[N@H+](C)[C@H]2CCOC2)c1=S ZINC000730260393 1130692471 /nfs/dbraw/zinc/69/24/71/1130692471.db2.gz PXGWICMIYJZGTC-HNNXBMFYSA-N 1 2 331.485 3.810 20 0 EHADLO CC(C)c1ccccc1-n1ccn(C[N@@H+](C)[C@H]2CCOC2)c1=S ZINC000730260393 1130692474 /nfs/dbraw/zinc/69/24/74/1130692474.db2.gz PXGWICMIYJZGTC-HNNXBMFYSA-N 1 2 331.485 3.810 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000730264805 1130693417 /nfs/dbraw/zinc/69/34/17/1130693417.db2.gz HLQABLNCALPGSJ-UHFFFAOYSA-N 1 2 337.876 3.517 20 0 EHADLO CCCCN(C)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000730667740 1130727381 /nfs/dbraw/zinc/72/73/81/1130727381.db2.gz BMHFWNSQZJGCMB-UHFFFAOYSA-N 1 2 343.475 3.721 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1 ZINC000731660338 1130824348 /nfs/dbraw/zinc/82/43/48/1130824348.db2.gz JFKHAVYLBWEVEE-UHFFFAOYSA-N 1 2 347.484 3.623 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000731660561 1130825471 /nfs/dbraw/zinc/82/54/71/1130825471.db2.gz NQXKUNSHIDSFMD-UHFFFAOYSA-N 1 2 347.484 3.623 20 0 EHADLO O=C(C=C1CCCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732137240 1130890266 /nfs/dbraw/zinc/89/02/66/1130890266.db2.gz GPSSGQOHJCNVCY-INIZCTEOSA-N 1 2 348.437 3.936 20 0 EHADLO O=C(C=C1CCCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732137240 1130890274 /nfs/dbraw/zinc/89/02/74/1130890274.db2.gz GPSSGQOHJCNVCY-INIZCTEOSA-N 1 2 348.437 3.936 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cn2c1 ZINC000732412001 1130924968 /nfs/dbraw/zinc/92/49/68/1130924968.db2.gz AVCKPJPOKZXVGO-CBGDNZLLSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1ccc2nc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cn2c1 ZINC000732412001 1130924972 /nfs/dbraw/zinc/92/49/72/1130924972.db2.gz AVCKPJPOKZXVGO-CBGDNZLLSA-N 1 2 335.451 3.993 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000732985754 1130978605 /nfs/dbraw/zinc/97/86/05/1130978605.db2.gz HAHZDCDFGUFIBC-GOSISDBHSA-N 1 2 336.426 3.941 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000732985754 1130978612 /nfs/dbraw/zinc/97/86/12/1130978612.db2.gz HAHZDCDFGUFIBC-GOSISDBHSA-N 1 2 336.426 3.941 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@H]2CCCC[C@H]2C)n1 ZINC000733136569 1130998669 /nfs/dbraw/zinc/99/86/69/1130998669.db2.gz ZHGHTRIWZWLLQC-HIFRSBDPSA-N 1 2 339.505 3.519 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000733290069 1131017814 /nfs/dbraw/zinc/01/78/14/1131017814.db2.gz WGSYGGYBQGGHNU-CYBMUJFWSA-N 1 2 329.271 3.887 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000733290069 1131017819 /nfs/dbraw/zinc/01/78/19/1131017819.db2.gz WGSYGGYBQGGHNU-CYBMUJFWSA-N 1 2 329.271 3.887 20 0 EHADLO CC(C)c1cnc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000733303668 1131019336 /nfs/dbraw/zinc/01/93/36/1131019336.db2.gz BEYHRPPRCOFILC-TWGQIWQCSA-N 1 2 325.456 3.629 20 0 EHADLO O=C(C[NH2+]Cc1csc(C2CC2)n1)Nc1cccc2ccccc21 ZINC000733328022 1131026428 /nfs/dbraw/zinc/02/64/28/1131026428.db2.gz JYGIQJRZHVSYAO-UHFFFAOYSA-N 1 2 337.448 3.902 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c(OC)c1 ZINC000733331538 1131028295 /nfs/dbraw/zinc/02/82/95/1131028295.db2.gz PBCAXXRQKKUSFG-UHFFFAOYSA-N 1 2 341.436 3.512 20 0 EHADLO COCCCn1nccc1C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000282565110 1131096622 /nfs/dbraw/zinc/09/66/22/1131096622.db2.gz DUOGXCBJBCTKED-LBPRGKRZSA-N 1 2 325.815 3.563 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccncc1 ZINC000348080020 1131142910 /nfs/dbraw/zinc/14/29/10/1131142910.db2.gz SHYWEMIQIFKDRY-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccncc1 ZINC000348080020 1131142911 /nfs/dbraw/zinc/14/29/11/1131142911.db2.gz SHYWEMIQIFKDRY-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000626094431 1131154325 /nfs/dbraw/zinc/15/43/25/1131154325.db2.gz ZLZBJXGPHSZMQG-CMPLNLGQSA-N 1 2 343.374 3.687 20 0 EHADLO c1coc([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CCO2)c1 ZINC000177675302 1131170722 /nfs/dbraw/zinc/17/07/22/1131170722.db2.gz FBHAWIHFEMPKCS-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO c1coc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CCO2)c1 ZINC000177675302 1131170726 /nfs/dbraw/zinc/17/07/26/1131170726.db2.gz FBHAWIHFEMPKCS-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000734214813 1131212133 /nfs/dbraw/zinc/21/21/33/1131212133.db2.gz BWSVEFAQEVLREG-GOSISDBHSA-N 1 2 340.471 3.840 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c(Cl)c1 ZINC000736355536 1131418399 /nfs/dbraw/zinc/41/83/99/1131418399.db2.gz QHDQOMHWLRWHCV-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CC[N@H+](Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S)C1CCC1 ZINC000738053762 1131461207 /nfs/dbraw/zinc/46/12/07/1131461207.db2.gz MCCJYDQLYICUNN-UHFFFAOYSA-N 1 2 349.456 3.722 20 0 EHADLO CC[N@@H+](Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S)C1CCC1 ZINC000738053762 1131461209 /nfs/dbraw/zinc/46/12/09/1131461209.db2.gz MCCJYDQLYICUNN-UHFFFAOYSA-N 1 2 349.456 3.722 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000738239088 1131465502 /nfs/dbraw/zinc/46/55/02/1131465502.db2.gz IIWXJHFQXYPJQB-INIZCTEOSA-N 1 2 328.456 3.548 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000738239088 1131465505 /nfs/dbraw/zinc/46/55/05/1131465505.db2.gz IIWXJHFQXYPJQB-INIZCTEOSA-N 1 2 328.456 3.548 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccnc(Cl)c2)cn1 ZINC000738307806 1131467389 /nfs/dbraw/zinc/46/73/89/1131467389.db2.gz ALJOBSAMFUDKBI-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccnc(Cl)c2)cn1 ZINC000738307806 1131467391 /nfs/dbraw/zinc/46/73/91/1131467391.db2.gz ALJOBSAMFUDKBI-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC2(CCCC2)CC1 ZINC000738461046 1131471975 /nfs/dbraw/zinc/47/19/75/1131471975.db2.gz LTKAUZIDIQSBIH-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(Cl)nc2)cn1 ZINC000738876942 1131489919 /nfs/dbraw/zinc/48/99/19/1131489919.db2.gz LWFASSQFNVKGEP-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(Cl)nc2)cn1 ZINC000738876942 1131489920 /nfs/dbraw/zinc/48/99/20/1131489920.db2.gz LWFASSQFNVKGEP-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738951510 1131490796 /nfs/dbraw/zinc/49/07/96/1131490796.db2.gz WEIGKFADRZATOI-UHFFFAOYSA-N 1 2 326.375 3.916 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000065276963 1131502157 /nfs/dbraw/zinc/50/21/57/1131502157.db2.gz FVFQCFXHJWHGAR-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943221 1131559316 /nfs/dbraw/zinc/55/93/16/1131559316.db2.gz SZPNRAVLSPRFTC-CHWSQXEVSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943221 1131559320 /nfs/dbraw/zinc/55/93/20/1131559320.db2.gz SZPNRAVLSPRFTC-CHWSQXEVSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)OCC(=O)c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000741029896 1131571176 /nfs/dbraw/zinc/57/11/76/1131571176.db2.gz CEUOHYYVOMYTCY-MRXNPFEDSA-N 1 2 339.435 3.830 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccccc1C)c1ccccc1 ZINC000741150508 1131584077 /nfs/dbraw/zinc/58/40/77/1131584077.db2.gz HPUNNBVBRKONEV-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccccc1C)c1ccccc1 ZINC000741150508 1131584081 /nfs/dbraw/zinc/58/40/81/1131584081.db2.gz HPUNNBVBRKONEV-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741149503 1131584167 /nfs/dbraw/zinc/58/41/67/1131584167.db2.gz ZFWLMQIYNCVOCD-HNNXBMFYSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741149503 1131584168 /nfs/dbraw/zinc/58/41/68/1131584168.db2.gz ZFWLMQIYNCVOCD-HNNXBMFYSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCCOc1ccccc1)c1ccccc1 ZINC000741149929 1131584186 /nfs/dbraw/zinc/58/41/86/1131584186.db2.gz WNANAQWSBZZYGR-IBGZPJMESA-N 1 2 327.424 3.692 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCCOc1ccccc1)c1ccccc1 ZINC000741149929 1131584190 /nfs/dbraw/zinc/58/41/90/1131584190.db2.gz WNANAQWSBZZYGR-IBGZPJMESA-N 1 2 327.424 3.692 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)c2cccc(C)c2)c1C ZINC000741279354 1131590602 /nfs/dbraw/zinc/59/06/02/1131590602.db2.gz SYGFICDEZHNQTC-CQSZACIVSA-N 1 2 341.455 3.618 20 0 EHADLO COC(=O)C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000741789503 1131648937 /nfs/dbraw/zinc/64/89/37/1131648937.db2.gz HOKXDSKRGCWOPA-QGZVFWFLSA-N 1 2 347.418 3.539 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000742488262 1131740812 /nfs/dbraw/zinc/74/08/12/1131740812.db2.gz ASVILABWRGVRAI-SAPNQHFASA-N 1 2 344.499 3.640 20 0 EHADLO Cc1ccc(N2CCC[C@@H](Nc3ccc([NH+](C)C)cc3C)C2=O)cc1 ZINC000742701748 1131775950 /nfs/dbraw/zinc/77/59/50/1131775950.db2.gz ACSVFWIKXGFMSQ-HXUWFJFHSA-N 1 2 337.467 3.977 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(F)ccc3C(F)(F)F)cc2)C1 ZINC001212670237 1131780683 /nfs/dbraw/zinc/78/06/83/1131780683.db2.gz NSFSBKRFXSZHIL-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO OCCc1ccc2c(c1)O[C@@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)C1)O2 ZINC001172546976 1131784051 /nfs/dbraw/zinc/78/40/51/1131784051.db2.gz TZAVNPRGGXOUCW-LQWHRVPQSA-N 1 2 339.435 3.592 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cl)c4cccnc34)cc2)C1 ZINC001212672210 1131787928 /nfs/dbraw/zinc/78/79/28/1131787928.db2.gz GNQFPMFXMOZWRN-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642122 1131797609 /nfs/dbraw/zinc/79/76/09/1131797609.db2.gz MJJXQLGPWUTTEK-FPCVCCKLSA-N 1 2 346.462 3.937 20 0 EHADLO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642122 1131797617 /nfs/dbraw/zinc/79/76/17/1131797617.db2.gz MJJXQLGPWUTTEK-FPCVCCKLSA-N 1 2 346.462 3.937 20 0 EHADLO COC(=O)[C@@H]([NH2+]C1CCC2(CCCC2)CC1)[C@@H](C)OC(C)(C)C ZINC001172724843 1131826139 /nfs/dbraw/zinc/82/61/39/1131826139.db2.gz BUQQOAIZPPNIOQ-ZBFHGGJFSA-N 1 2 325.493 3.824 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC001172868668 1131861967 /nfs/dbraw/zinc/86/19/67/1131861967.db2.gz UUPJGMNLFCRWHI-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1c(F)cc(F)cc1F ZINC000743221351 1131878199 /nfs/dbraw/zinc/87/81/99/1131878199.db2.gz WEXUGJAXWPBTSB-CYBMUJFWSA-N 1 2 340.349 3.537 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)CSc2ccc(Cl)cc2)CCCC1 ZINC001172875568 1131892507 /nfs/dbraw/zinc/89/25/07/1131892507.db2.gz PTUSXNRCHAKXCL-GFCCVEGCSA-N 1 2 327.877 3.896 20 0 EHADLO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001172882774 1131897514 /nfs/dbraw/zinc/89/75/14/1131897514.db2.gz RKQNPAJIFMNMOA-NSHDSACASA-N 1 2 333.831 3.931 20 0 EHADLO COc1nsc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1Cl ZINC001206180888 1131900334 /nfs/dbraw/zinc/90/03/34/1131900334.db2.gz TXZUQVDRVSXRAW-UHFFFAOYSA-N 1 2 326.824 3.619 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+](C)C[C@H](C)c1ccccc1)c2=O ZINC000743361228 1131902151 /nfs/dbraw/zinc/90/21/51/1131902151.db2.gz KTFSWRKXKDQKMR-AWEZNQCLSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+](C)C[C@H](C)c1ccccc1)c2=O ZINC000743361228 1131902157 /nfs/dbraw/zinc/90/21/57/1131902157.db2.gz KTFSWRKXKDQKMR-AWEZNQCLSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@H](C(C)C)CC1)c2=O ZINC000743365626 1131903204 /nfs/dbraw/zinc/90/32/04/1131903204.db2.gz GHJLWHBVNOGRFJ-HNNXBMFYSA-N 1 2 333.501 3.790 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@H](C(C)C)CC1)c2=O ZINC000743365626 1131903209 /nfs/dbraw/zinc/90/32/09/1131903209.db2.gz GHJLWHBVNOGRFJ-HNNXBMFYSA-N 1 2 333.501 3.790 20 0 EHADLO Brc1ncccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693262 1131906554 /nfs/dbraw/zinc/90/65/54/1131906554.db2.gz LUANUERTMQKCKU-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000743391328 1131908457 /nfs/dbraw/zinc/90/84/57/1131908457.db2.gz PHDHCUZUEFPGTA-UHFFFAOYSA-N 1 2 328.485 3.935 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000743391328 1131908463 /nfs/dbraw/zinc/90/84/63/1131908463.db2.gz PHDHCUZUEFPGTA-UHFFFAOYSA-N 1 2 328.485 3.935 20 0 EHADLO Fc1nccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1Br ZINC001212695017 1131924560 /nfs/dbraw/zinc/92/45/60/1131924560.db2.gz JKOFKJTVXOBRHI-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO Cc1cccc(F)c1C[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000743484006 1131932506 /nfs/dbraw/zinc/93/25/06/1131932506.db2.gz JPWGCJVJZFGVER-FQEVSTJZSA-N 1 2 340.442 3.978 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC001212696987 1131935216 /nfs/dbraw/zinc/93/52/16/1131935216.db2.gz YSVRBAHYFNQEBT-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO CC1(C)Oc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2NC1=O ZINC001212697578 1131937097 /nfs/dbraw/zinc/93/70/97/1131937097.db2.gz HBQJRWUBSDNCGP-UHFFFAOYSA-N 1 2 348.406 3.785 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000181064346 1131958225 /nfs/dbraw/zinc/95/82/25/1131958225.db2.gz YPZKLSWSSVGFSM-SNVBAGLBSA-N 1 2 328.243 3.892 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1SC(F)(F)F ZINC000743838347 1131983250 /nfs/dbraw/zinc/98/32/50/1131983250.db2.gz VNSYEXGGZWYXEV-UHFFFAOYSA-N 1 2 335.391 3.918 20 0 EHADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1SC(F)(F)F ZINC000743838347 1131983258 /nfs/dbraw/zinc/98/32/58/1131983258.db2.gz VNSYEXGGZWYXEV-UHFFFAOYSA-N 1 2 335.391 3.918 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000743873154 1131998504 /nfs/dbraw/zinc/99/85/04/1131998504.db2.gz LJKOIINEHVFBQE-ZMYBRWDISA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000743873154 1131998514 /nfs/dbraw/zinc/99/85/14/1131998514.db2.gz LJKOIINEHVFBQE-ZMYBRWDISA-N 1 2 331.843 3.835 20 0 EHADLO CCC/C(C)=C\C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000743893466 1131999153 /nfs/dbraw/zinc/99/91/53/1131999153.db2.gz RECKJOSBLKRTOO-SQFISAMPSA-N 1 2 348.491 3.543 20 0 EHADLO Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1-n1cccc1 ZINC000743920986 1132001058 /nfs/dbraw/zinc/00/10/58/1132001058.db2.gz FBKZPCCGTASTGA-UHFFFAOYSA-N 1 2 345.446 3.531 20 0 EHADLO CC[N@H+](CCc1ccccn1)Cc1c(F)c(F)c(F)c(F)c1F ZINC000744194354 1132044444 /nfs/dbraw/zinc/04/44/44/1132044444.db2.gz DAPJMTGAXOJJNE-UHFFFAOYSA-N 1 2 330.300 3.842 20 0 EHADLO CC[N@@H+](CCc1ccccn1)Cc1c(F)c(F)c(F)c(F)c1F ZINC000744194354 1132044452 /nfs/dbraw/zinc/04/44/52/1132044452.db2.gz DAPJMTGAXOJJNE-UHFFFAOYSA-N 1 2 330.300 3.842 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000744432065 1132095319 /nfs/dbraw/zinc/09/53/19/1132095319.db2.gz FQHKDKXQWDXXEP-UXHICEINSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000744432065 1132095329 /nfs/dbraw/zinc/09/53/29/1132095329.db2.gz FQHKDKXQWDXXEP-UXHICEINSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)CCOc2cccc(Cl)c2)C1 ZINC000744431314 1132096400 /nfs/dbraw/zinc/09/64/00/1132096400.db2.gz GMSWUPSLQVWPOI-OAHLLOKOSA-N 1 2 338.879 3.503 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)CCOc2cccc(Cl)c2)C1 ZINC000744431314 1132096407 /nfs/dbraw/zinc/09/64/07/1132096407.db2.gz GMSWUPSLQVWPOI-OAHLLOKOSA-N 1 2 338.879 3.503 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000744440824 1132099431 /nfs/dbraw/zinc/09/94/31/1132099431.db2.gz HZFYOERKXOCJFL-GOEBONIOSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000744440824 1132099440 /nfs/dbraw/zinc/09/94/40/1132099440.db2.gz HZFYOERKXOCJFL-GOEBONIOSA-N 1 2 345.516 3.964 20 0 EHADLO CSc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173814253 1132143635 /nfs/dbraw/zinc/14/36/35/1132143635.db2.gz JFTMUBYXJIRECV-BETUJISGSA-N 1 2 344.484 3.864 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)CCO3)c2[nH+]ccn2c1 ZINC001174008975 1132202433 /nfs/dbraw/zinc/20/24/33/1132202433.db2.gz NRMWGYYYPTVEOC-UHFFFAOYSA-N 1 2 330.185 3.775 20 0 EHADLO CCOc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)cc(C)[nH+]1 ZINC001174068383 1132232800 /nfs/dbraw/zinc/23/28/00/1132232800.db2.gz UWAOHLVIUWIJLD-UHFFFAOYSA-N 1 2 325.412 3.768 20 0 EHADLO CCCCNC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174120928 1132263318 /nfs/dbraw/zinc/26/33/18/1132263318.db2.gz PYPKNNSFWAICRM-UHFFFAOYSA-N 1 2 338.455 3.955 20 0 EHADLO Cn1c[nH+]c2cc(Nc3cccc(C(=O)NCc4ccco4)c3)ccc21 ZINC001174201293 1132282589 /nfs/dbraw/zinc/28/25/89/1132282589.db2.gz YGVGJAJWHZAJGD-UHFFFAOYSA-N 1 2 346.390 3.840 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3nc(Cl)ccc3C(N)=O)ccc21 ZINC001174380871 1132343272 /nfs/dbraw/zinc/34/32/72/1132343272.db2.gz NTLOHUGOKAVWJE-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cncnc3Br)ccc21 ZINC001174381836 1132343677 /nfs/dbraw/zinc/34/36/77/1132343677.db2.gz QINVJANAFGLJDY-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO CCC[N@@H+](Cc1ccc(F)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746034586 1132351515 /nfs/dbraw/zinc/35/15/15/1132351515.db2.gz WUXXYMYYJALLSP-UHFFFAOYSA-N 1 2 346.446 3.705 20 0 EHADLO CCC[N@H+](Cc1ccc(F)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000746034586 1132351524 /nfs/dbraw/zinc/35/15/24/1132351524.db2.gz WUXXYMYYJALLSP-UHFFFAOYSA-N 1 2 346.446 3.705 20 0 EHADLO Oc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1Cl ZINC001174432204 1132353241 /nfs/dbraw/zinc/35/32/41/1132353241.db2.gz LZNOKAWZVDVHMJ-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO c1ccc2nc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ccc2c1 ZINC001174430447 1132353389 /nfs/dbraw/zinc/35/33/89/1132353389.db2.gz YEELPLUDZHLIMC-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CCN(C)c1ccc(Nc2cnn(Cc3ccc(OC)cc3)c2)c[nH+]1 ZINC001174436606 1132355500 /nfs/dbraw/zinc/35/55/00/1132355500.db2.gz IVJXCPKOQNNSKT-UHFFFAOYSA-N 1 2 337.427 3.535 20 0 EHADLO C[C@@H]1CC(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC000183376135 1132361331 /nfs/dbraw/zinc/36/13/31/1132361331.db2.gz WYFBDBMTVDBBKC-HOTGVXAUSA-N 1 2 330.472 3.530 20 0 EHADLO CCCCCc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001174493592 1132371508 /nfs/dbraw/zinc/37/15/08/1132371508.db2.gz LGVCKXRCKNUQRA-UHFFFAOYSA-N 1 2 342.487 3.692 20 0 EHADLO COC(Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1)OC ZINC001174525396 1132382549 /nfs/dbraw/zinc/38/25/49/1132382549.db2.gz WRRHZXQOXZEKRM-UHFFFAOYSA-N 1 2 341.455 3.977 20 0 EHADLO Cc1cc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)c(C)n1C1CCCCC1 ZINC000746241648 1132395822 /nfs/dbraw/zinc/39/58/22/1132395822.db2.gz AKDJKBSWOMGSOU-CMDGGOBGSA-N 1 2 340.471 3.705 20 0 EHADLO COC(=O)c1nc(Cl)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522390 1132399382 /nfs/dbraw/zinc/39/93/82/1132399382.db2.gz JYSSDEYPHUBELE-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1CN1CCc2ccccc21 ZINC000188682667 1132438017 /nfs/dbraw/zinc/43/80/17/1132438017.db2.gz WKENVUVRGQSFKL-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1CN1CCc2ccccc21 ZINC000188682667 1132438020 /nfs/dbraw/zinc/43/80/20/1132438020.db2.gz WKENVUVRGQSFKL-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO Cc1cccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cn2)c1C ZINC000189024410 1132440705 /nfs/dbraw/zinc/44/07/05/1132440705.db2.gz IWJWHOORBWXSSQ-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO Cc1cccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)c1C ZINC000189024410 1132440710 /nfs/dbraw/zinc/44/07/10/1132440710.db2.gz IWJWHOORBWXSSQ-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO CC(C)c1cc(Br)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000189360576 1132444554 /nfs/dbraw/zinc/44/45/54/1132444554.db2.gz FHVZKIMWOVOCPH-UHFFFAOYSA-N 1 2 336.233 3.867 20 0 EHADLO CC(C)c1cc(Br)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000189360576 1132444558 /nfs/dbraw/zinc/44/45/58/1132444558.db2.gz FHVZKIMWOVOCPH-UHFFFAOYSA-N 1 2 336.233 3.867 20 0 EHADLO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000192739485 1132475958 /nfs/dbraw/zinc/47/59/58/1132475958.db2.gz QPDWJMROIXEDCT-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000192739485 1132475964 /nfs/dbraw/zinc/47/59/64/1132475964.db2.gz QPDWJMROIXEDCT-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO FC(F)(F)Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174978206 1132516911 /nfs/dbraw/zinc/51/69/11/1132516911.db2.gz SYAAJCGIBHCBQB-UHFFFAOYSA-N 1 2 337.345 3.767 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@H](C)[C@@H](C)C3)c(=S)n2C)c1 ZINC000766379252 1132522299 /nfs/dbraw/zinc/52/22/99/1132522299.db2.gz CBAYPKWDRDCXNT-GJZGRUSLSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)c(=S)n2C)c1 ZINC000766379252 1132522305 /nfs/dbraw/zinc/52/23/05/1132522305.db2.gz CBAYPKWDRDCXNT-GJZGRUSLSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)o1 ZINC000766382476 1132524144 /nfs/dbraw/zinc/52/41/44/1132524144.db2.gz TXSKNFNBPYNPKR-ASOISWSRSA-N 1 2 332.473 3.948 20 0 EHADLO Cc1ccc(/C=C\c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)o1 ZINC000766382476 1132524152 /nfs/dbraw/zinc/52/41/52/1132524152.db2.gz TXSKNFNBPYNPKR-ASOISWSRSA-N 1 2 332.473 3.948 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)cc(OC)c1 ZINC001175010191 1132528498 /nfs/dbraw/zinc/52/84/98/1132528498.db2.gz NSOSUALXRORMFX-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@H]1c1cccc(F)c1 ZINC000766416502 1132533065 /nfs/dbraw/zinc/53/30/65/1132533065.db2.gz OALPBOPWOAUSAD-HNNXBMFYSA-N 1 2 325.391 3.672 20 0 EHADLO CC(=O)c1cc(Cl)c(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978977 1132533222 /nfs/dbraw/zinc/53/32/22/1132533222.db2.gz FFIACZNBRVYQJX-UHFFFAOYSA-N 1 2 349.793 3.657 20 0 EHADLO CC1(C)CCc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2O1 ZINC001174982372 1132534892 /nfs/dbraw/zinc/53/48/92/1132534892.db2.gz WDXAXEOMWUPBMH-UHFFFAOYSA-N 1 2 339.439 3.765 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@](C)(COC)C1 ZINC001175063285 1132539230 /nfs/dbraw/zinc/53/92/30/1132539230.db2.gz XMHWLMHHSWPBCQ-CVEARBPZSA-N 1 2 342.277 3.638 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@](C)(COC)C1 ZINC001175063285 1132539237 /nfs/dbraw/zinc/53/92/37/1132539237.db2.gz XMHWLMHHSWPBCQ-CVEARBPZSA-N 1 2 342.277 3.638 20 0 EHADLO CCOc1nnc(C[NH+]2CCC(c3ccc(CC)cc3)CC2)s1 ZINC001175088171 1132564862 /nfs/dbraw/zinc/56/48/62/1132564862.db2.gz NMPLJJYPGUTBGO-UHFFFAOYSA-N 1 2 331.485 3.879 20 0 EHADLO Cc1ccc([C@@H](C)Nc2[nH+]cccc2CC(=O)OC(C)(C)C)nc1 ZINC001168851350 1132587915 /nfs/dbraw/zinc/58/79/15/1132587915.db2.gz LTCKFQFUYJHTON-CQSZACIVSA-N 1 2 327.428 3.842 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CCC(C)(C)OC ZINC001175175761 1132589382 /nfs/dbraw/zinc/58/93/82/1132589382.db2.gz WLMBSMOGBVKXGI-IBGZPJMESA-N 1 2 343.467 3.719 20 0 EHADLO CSc1cccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c1 ZINC001175289821 1132614383 /nfs/dbraw/zinc/61/43/83/1132614383.db2.gz YZRBGXNLRVJKBO-CHWSQXEVSA-N 1 2 344.484 3.864 20 0 EHADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)n(Cc2ccccc2F)n1 ZINC001175342635 1132626541 /nfs/dbraw/zinc/62/65/41/1132626541.db2.gz VELJCNRTYSRYJF-UHFFFAOYSA-N 1 2 325.391 3.584 20 0 EHADLO COCc1ccc(Br)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175344667 1132627500 /nfs/dbraw/zinc/62/75/00/1132627500.db2.gz VXCLBLXCIVCUOA-UHFFFAOYSA-N 1 2 336.233 3.800 20 0 EHADLO Cc1cc(C)c(NCCc2cn3ccccc3[nH+]2)nc1Br ZINC001169003934 1132629925 /nfs/dbraw/zinc/62/99/25/1132629925.db2.gz KQYPENKBZKQBSQ-UHFFFAOYSA-N 1 2 345.244 3.763 20 0 EHADLO Fc1cccc(Br)c1NCCc1cn2ccccc2[nH+]1 ZINC001169003773 1132630051 /nfs/dbraw/zinc/63/00/51/1132630051.db2.gz DVJLLQMWCSCULA-UHFFFAOYSA-N 1 2 334.192 3.891 20 0 EHADLO Cc1noc(-c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)c1N ZINC001169003889 1132630162 /nfs/dbraw/zinc/63/01/62/1132630162.db2.gz JXIYAMGKJPOFFU-UHFFFAOYSA-N 1 2 333.395 3.535 20 0 EHADLO CCOC(=O)c1cc2c(cccc2NCCc2cn3ccccc3[nH+]2)[nH]1 ZINC001169004539 1132630339 /nfs/dbraw/zinc/63/03/39/1132630339.db2.gz NZYYFOSSCDZBET-UHFFFAOYSA-N 1 2 348.406 3.647 20 0 EHADLO C[S@](=O)c1ccccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001175304287 1132631368 /nfs/dbraw/zinc/63/13/68/1132631368.db2.gz VKHOIFPBYKNUES-DEOSSOPVSA-N 1 2 347.440 3.910 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(OC)c1 ZINC001175352340 1132645486 /nfs/dbraw/zinc/64/54/86/1132645486.db2.gz ULUKYCFQSBODIC-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001169068117 1132649899 /nfs/dbraw/zinc/64/98/99/1132649899.db2.gz LFVUDADFBWQAQD-NQIIRXRSSA-N 1 2 341.451 3.523 20 0 EHADLO Cc1cc(CNc2ccc3[nH+]cn(C)c3c2)ncc1Br ZINC001169199050 1132689116 /nfs/dbraw/zinc/68/91/16/1132689116.db2.gz CWPXORGTABQCOR-UHFFFAOYSA-N 1 2 331.217 3.651 20 0 EHADLO CCc1ccc[nH+]c1Nc1ccc2cc(NS(C)(=O)=O)ccc2c1 ZINC001175532020 1132701390 /nfs/dbraw/zinc/70/13/90/1132701390.db2.gz QMPUCACAWZMQNJ-UHFFFAOYSA-N 1 2 341.436 3.912 20 0 EHADLO Cc1nc(Nc2ccc3ccncc3c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175701922 1132730701 /nfs/dbraw/zinc/73/07/01/1132730701.db2.gz DBINSVNZXGEJMD-OKILXGFUSA-N 1 2 349.438 3.690 20 0 EHADLO COC(=O)c1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C)cc1C ZINC001175715573 1132741484 /nfs/dbraw/zinc/74/14/84/1132741484.db2.gz OWAHNKFPUUHQFS-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO COC(=O)CCc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175716430 1132742053 /nfs/dbraw/zinc/74/20/53/1132742053.db2.gz UVLMXAJVCYHSAJ-UHFFFAOYSA-N 1 2 339.317 3.532 20 0 EHADLO CCOc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cn1 ZINC001175739228 1132749468 /nfs/dbraw/zinc/74/94/68/1132749468.db2.gz IKDCWFXCXYZWQX-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO Cn1nc(C(C)(C)C)cc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212771083 1132754662 /nfs/dbraw/zinc/75/46/62/1132754662.db2.gz GBLAGRTXOAZEOW-UHFFFAOYSA-N 1 2 348.410 3.620 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccnc(Br)c2)c[nH+]1 ZINC001175709681 1132755666 /nfs/dbraw/zinc/75/56/66/1132755666.db2.gz JSLIIYYSOZFZEN-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO CC(C)c1cc2ncc(Nc3c[nH+]c(N)cc3C(F)(F)F)cn2n1 ZINC001175710707 1132756056 /nfs/dbraw/zinc/75/60/56/1132756056.db2.gz KBDPAASGGMVDCT-UHFFFAOYSA-N 1 2 336.321 3.592 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(-c4ccccc4)nc3)c[nH+]2)CC1 ZINC001175832825 1132771248 /nfs/dbraw/zinc/77/12/48/1132771248.db2.gz LBZBWEOGOOPGED-UHFFFAOYSA-N 1 2 346.434 3.848 20 0 EHADLO CC(=O)N1CC[C@@H]([N@@H+](Cc2c(Cl)cccc2Cl)C(C)C)C1 ZINC001169560333 1132786256 /nfs/dbraw/zinc/78/62/56/1132786256.db2.gz LTHKUCHIUCJSRD-CYBMUJFWSA-N 1 2 329.271 3.825 20 0 EHADLO CC(=O)N1CC[C@@H]([N@H+](Cc2c(Cl)cccc2Cl)C(C)C)C1 ZINC001169560333 1132786260 /nfs/dbraw/zinc/78/62/60/1132786260.db2.gz LTHKUCHIUCJSRD-CYBMUJFWSA-N 1 2 329.271 3.825 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804332731 1132800516 /nfs/dbraw/zinc/80/05/16/1132800516.db2.gz QHWOFYMSUNKNTG-QGZVFWFLSA-N 1 2 341.455 3.587 20 0 EHADLO c1cn(Cc2ccc(Nc3cccc(N4CCOCC4)c3)cc2)c[nH+]1 ZINC001176018042 1132821461 /nfs/dbraw/zinc/82/14/61/1132821461.db2.gz XKAYXVMIIXDVDZ-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001176070209 1132827453 /nfs/dbraw/zinc/82/74/53/1132827453.db2.gz HQHVMGAYNCGERH-UHFFFAOYSA-N 1 2 330.407 3.512 20 0 EHADLO CN(C)C(=O)c1cc(Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC001176151833 1132864549 /nfs/dbraw/zinc/86/45/49/1132864549.db2.gz NOTBGDNKCHIUBN-UHFFFAOYSA-N 1 2 340.814 3.971 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1NCc1ccc(-c2ccccn2)cc1 ZINC001169888051 1132881211 /nfs/dbraw/zinc/88/12/11/1132881211.db2.gz INNOLDMAWCICPE-UHFFFAOYSA-N 1 2 349.390 3.551 20 0 EHADLO Cc1cc(NCCOc2ccc3c(c2)OCO3)[nH+]cc1C(F)(F)F ZINC001169929585 1132900780 /nfs/dbraw/zinc/90/07/80/1132900780.db2.gz FFQCARKNAZUQIP-UHFFFAOYSA-N 1 2 340.301 3.628 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000766883625 1132902480 /nfs/dbraw/zinc/90/24/80/1132902480.db2.gz XCPTVYWIIQIITK-CHWSQXEVSA-N 1 2 346.308 3.599 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(-n2c(C)[nH+]c3ccc(N)cc32)c1 ZINC001176297581 1132906945 /nfs/dbraw/zinc/90/69/45/1132906945.db2.gz BXFBFNISHXHZIN-UHFFFAOYSA-N 1 2 340.402 3.537 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000767034403 1132937258 /nfs/dbraw/zinc/93/72/58/1132937258.db2.gz HZXPHOHMMCTVAQ-OBIHZWKSSA-N 1 2 338.238 3.798 20 0 EHADLO COc1cccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000767093263 1132948685 /nfs/dbraw/zinc/94/86/85/1132948685.db2.gz UYDDCXYCCYTFHQ-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(Cl)c(Cl)c(Cl)c1 ZINC001176627197 1132974083 /nfs/dbraw/zinc/97/40/83/1132974083.db2.gz SLOOJVBBRDXHJX-UHFFFAOYSA-N 1 2 334.590 3.591 20 0 EHADLO Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)n1 ZINC001176744364 1132991151 /nfs/dbraw/zinc/99/11/51/1132991151.db2.gz VAWQMDJWTWDFNA-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COC(=O)c1cc(Nc2ccc[nH+]c2N2CCCC2)c(Cl)s1 ZINC001176749486 1132992257 /nfs/dbraw/zinc/99/22/57/1132992257.db2.gz GCQQRZGKUIMVIF-UHFFFAOYSA-N 1 2 337.832 3.927 20 0 EHADLO Cc1cnc(Br)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749456 1132992349 /nfs/dbraw/zinc/99/23/49/1132992349.db2.gz DMCPNXGHLONCEM-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Fc1cnc(Br)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176750870 1132993212 /nfs/dbraw/zinc/99/32/12/1132993212.db2.gz YKDFCXCTGJIZBM-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767418465 1132998734 /nfs/dbraw/zinc/99/87/34/1132998734.db2.gz KLXKYTIFTSJZHI-UHFFFAOYSA-N 1 2 349.434 3.599 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001176878090 1133006002 /nfs/dbraw/zinc/00/60/02/1133006002.db2.gz BRDQCUQVUGIWFL-UHFFFAOYSA-N 1 2 327.334 3.857 20 0 EHADLO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccnc(N(C)C)c1 ZINC001176957585 1133015070 /nfs/dbraw/zinc/01/50/70/1133015070.db2.gz CJPMRYBPARIIND-CQSZACIVSA-N 1 2 344.528 3.751 20 0 EHADLO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccnc(N(C)C)c1 ZINC001176957585 1133015075 /nfs/dbraw/zinc/01/50/75/1133015075.db2.gz CJPMRYBPARIIND-CQSZACIVSA-N 1 2 344.528 3.751 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCCC[C@]23CCCOC3)nc2cc(Cl)ccc21 ZINC001177015750 1133023162 /nfs/dbraw/zinc/02/31/62/1133023162.db2.gz OFHXDZJKOYWJCB-GOSISDBHSA-N 1 2 347.846 3.524 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCCC[C@]23CCCOC3)nc2cc(Cl)ccc21 ZINC001177015750 1133023167 /nfs/dbraw/zinc/02/31/67/1133023167.db2.gz OFHXDZJKOYWJCB-GOSISDBHSA-N 1 2 347.846 3.524 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001177175104 1133040574 /nfs/dbraw/zinc/04/05/74/1133040574.db2.gz ADGUFVONCIVYPX-UHFFFAOYSA-N 1 2 338.785 3.963 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3cccc4cnccc43)cc2)CC1 ZINC001177349167 1133059043 /nfs/dbraw/zinc/05/90/43/1133059043.db2.gz AMRCEJBXKJXLQQ-UHFFFAOYSA-N 1 2 333.435 3.808 20 0 EHADLO CN(CC(=O)Nc1ccccc1Cc1ccccc1)c1cccc[nH+]1 ZINC001177412790 1133063468 /nfs/dbraw/zinc/06/34/68/1133063468.db2.gz JNVOWMIELGAXFD-UHFFFAOYSA-N 1 2 331.419 3.747 20 0 EHADLO COC(=O)/C(C)=C\C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000746492739 1133064391 /nfs/dbraw/zinc/06/43/91/1133064391.db2.gz ADHWCOQESNZKIP-GDNBJRDFSA-N 1 2 345.464 3.878 20 0 EHADLO COC(=O)/C(C)=C\C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000746492739 1133064395 /nfs/dbraw/zinc/06/43/95/1133064395.db2.gz ADHWCOQESNZKIP-GDNBJRDFSA-N 1 2 345.464 3.878 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001177524441 1133074468 /nfs/dbraw/zinc/07/44/68/1133074468.db2.gz DWIAAGDYLDUURT-UHFFFAOYSA-N 1 2 343.434 3.656 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]1C[C@@H]1c1cccs1 ZINC001177540286 1133078310 /nfs/dbraw/zinc/07/83/10/1133078310.db2.gz PAYFFXNEALXMCM-IRXDYDNUSA-N 1 2 337.448 3.696 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177629939 1133088664 /nfs/dbraw/zinc/08/86/64/1133088664.db2.gz XKUXHORQKIFMBO-SFHVURJKSA-N 1 2 328.387 3.899 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177629939 1133088666 /nfs/dbraw/zinc/08/86/66/1133088666.db2.gz XKUXHORQKIFMBO-SFHVURJKSA-N 1 2 328.387 3.899 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000096700721 1133099097 /nfs/dbraw/zinc/09/90/97/1133099097.db2.gz YDWPMNYBOGDNLN-UHFFFAOYSA-N 1 2 334.891 3.607 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)CCC2)c1 ZINC000768138109 1133101532 /nfs/dbraw/zinc/10/15/32/1133101532.db2.gz JWTLTQLQASOKAC-QGZVFWFLSA-N 1 2 337.467 3.556 20 0 EHADLO COc1ccccc1/C=C/C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000768170813 1133104939 /nfs/dbraw/zinc/10/49/39/1133104939.db2.gz VSGCTZLQSFVKRE-VQHVLOKHSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000768170813 1133104943 /nfs/dbraw/zinc/10/49/43/1133104943.db2.gz VSGCTZLQSFVKRE-VQHVLOKHSA-N 1 2 344.842 3.932 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1ccccc1I ZINC000768202879 1133106628 /nfs/dbraw/zinc/10/66/28/1133106628.db2.gz CNBYIXHCRARQLX-UHFFFAOYSA-N 1 2 343.233 3.985 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1ccccc1I ZINC000768202879 1133106631 /nfs/dbraw/zinc/10/66/31/1133106631.db2.gz CNBYIXHCRARQLX-UHFFFAOYSA-N 1 2 343.233 3.985 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000768228842 1133115693 /nfs/dbraw/zinc/11/56/93/1133115693.db2.gz KOQRWUAWQRWHEN-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000768228842 1133115698 /nfs/dbraw/zinc/11/56/98/1133115698.db2.gz KOQRWUAWQRWHEN-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nccc2ccccc21 ZINC000768237464 1133116616 /nfs/dbraw/zinc/11/66/16/1133116616.db2.gz SLYGJSKPBZFKRS-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1nccc2ccccc21 ZINC000768237464 1133116620 /nfs/dbraw/zinc/11/66/20/1133116620.db2.gz SLYGJSKPBZFKRS-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000768512721 1133147880 /nfs/dbraw/zinc/14/78/80/1133147880.db2.gz DDJTVSLFYGCDFP-INIZCTEOSA-N 1 2 334.826 3.542 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)COc1cccc(F)c1 ZINC000768515104 1133153871 /nfs/dbraw/zinc/15/38/71/1133153871.db2.gz AHKOYJVSWQSNPB-MRXNPFEDSA-N 1 2 326.371 3.534 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C)[NH+]1CCSCC1 ZINC001178500332 1133170094 /nfs/dbraw/zinc/17/00/94/1133170094.db2.gz XYKSVKMDKLYCML-KBPBESRZSA-N 1 2 332.513 3.847 20 0 EHADLO Cc1ccc2c(/C=C/C(=O)N3CCC(n4cc[nH+]c4)CC3)c[nH]c2c1 ZINC001178492039 1133173563 /nfs/dbraw/zinc/17/35/63/1133173563.db2.gz KIWDEIQIQPYBRI-HWKANZROSA-N 1 2 334.423 3.550 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)n1 ZINC000768748567 1133177182 /nfs/dbraw/zinc/17/71/82/1133177182.db2.gz UISUDIZSJDVTAE-UHFFFAOYSA-N 1 2 338.496 3.543 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)n1 ZINC000768748567 1133177185 /nfs/dbraw/zinc/17/71/85/1133177185.db2.gz UISUDIZSJDVTAE-UHFFFAOYSA-N 1 2 338.496 3.543 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000768782004 1133182057 /nfs/dbraw/zinc/18/20/57/1133182057.db2.gz MTQFFZSHEVCQRK-UHFFFAOYSA-N 1 2 344.846 3.822 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000768782004 1133182062 /nfs/dbraw/zinc/18/20/62/1133182062.db2.gz MTQFFZSHEVCQRK-UHFFFAOYSA-N 1 2 344.846 3.822 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001178828311 1133202309 /nfs/dbraw/zinc/20/23/09/1133202309.db2.gz ZAPGFEBLNVPGAP-UHFFFAOYSA-N 1 2 344.821 3.966 20 0 EHADLO CCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000769019495 1133214498 /nfs/dbraw/zinc/21/44/98/1133214498.db2.gz GGRXWNKROFYUQQ-OALUTQOASA-N 1 2 340.471 3.991 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000769046710 1133218486 /nfs/dbraw/zinc/21/84/86/1133218486.db2.gz HJMCDPYDWWMHAN-IAGOWNOFSA-N 1 2 334.508 3.767 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCC4(CC4)C3)cn2c1 ZINC001178993952 1133219862 /nfs/dbraw/zinc/21/98/62/1133219862.db2.gz BTILMMSSGZMERU-OAHLLOKOSA-N 1 2 343.496 3.715 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3cccnc3Cl)on2)cc1 ZINC001179117106 1133229419 /nfs/dbraw/zinc/22/94/19/1133229419.db2.gz XFWZUQIDXGNYCF-UHFFFAOYSA-N 1 2 329.787 3.688 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2c(Cl)nc3ccccn32)cc1C ZINC000769234854 1133248052 /nfs/dbraw/zinc/24/80/52/1133248052.db2.gz XPJDARCEXUJKIO-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2c(Cl)nc3ccccn32)cc1C ZINC000769234854 1133248057 /nfs/dbraw/zinc/24/80/57/1133248057.db2.gz XPJDARCEXUJKIO-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO Cc1ccc2[nH+]c(NCc3cc4c(cc3OC(F)F)OCO4)[nH]c2c1 ZINC001179443575 1133251590 /nfs/dbraw/zinc/25/15/90/1133251590.db2.gz QYPDBKMPLAIWRL-UHFFFAOYSA-N 1 2 347.321 3.814 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(OCCOC)o1 ZINC001179485092 1133254351 /nfs/dbraw/zinc/25/43/51/1133254351.db2.gz YEBVCRGNGWOLTP-UHFFFAOYSA-N 1 2 349.818 3.940 20 0 EHADLO FC(F)Oc1cccc(C[NH2+]Cc2ncccc2Br)c1 ZINC001179793804 1133283204 /nfs/dbraw/zinc/28/32/04/1133283204.db2.gz POEGDXAXMLHDIH-UHFFFAOYSA-N 1 2 343.171 3.735 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](Cc3cccc4c3NCCC4)CCO2)c1 ZINC001180047456 1133315416 /nfs/dbraw/zinc/31/54/16/1133315416.db2.gz KBRYRXPQTAGQPT-IBGZPJMESA-N 1 2 326.415 3.757 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3NCCC4)CCO2)c1 ZINC001180047456 1133315421 /nfs/dbraw/zinc/31/54/21/1133315421.db2.gz KBRYRXPQTAGQPT-IBGZPJMESA-N 1 2 326.415 3.757 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769781366 1133344708 /nfs/dbraw/zinc/34/47/08/1133344708.db2.gz GIVHAEADZHRVJI-AEFFLSMTSA-N 1 2 348.437 3.893 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC001180271115 1133353311 /nfs/dbraw/zinc/35/33/11/1133353311.db2.gz CPJVIGSCWCZVCB-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC001180271115 1133353318 /nfs/dbraw/zinc/35/33/18/1133353318.db2.gz CPJVIGSCWCZVCB-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001180301381 1133354037 /nfs/dbraw/zinc/35/40/37/1133354037.db2.gz MQLVJKFOLHHELR-ZFWWWQNUSA-N 1 2 349.381 3.651 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C(F)(F)F)o1 ZINC000769897018 1133355887 /nfs/dbraw/zinc/35/58/87/1133355887.db2.gz ACWGDQNWDYSNFW-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCO[C@@H](C)C3)n2c1 ZINC001180368296 1133366938 /nfs/dbraw/zinc/36/69/38/1133366938.db2.gz KQCWRVATBLHTNL-HNNXBMFYSA-N 1 2 339.414 3.670 20 0 EHADLO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCO[C@@H](C)C3)n2c1 ZINC001180368296 1133366941 /nfs/dbraw/zinc/36/69/41/1133366941.db2.gz KQCWRVATBLHTNL-HNNXBMFYSA-N 1 2 339.414 3.670 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C1(C(F)(F)F)CCCC1 ZINC001180477379 1133374006 /nfs/dbraw/zinc/37/40/06/1133374006.db2.gz FAGDSJBYCXEKSA-UHFFFAOYSA-N 1 2 337.345 3.993 20 0 EHADLO O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc2[nH+]ccn21 ZINC000770054519 1133382265 /nfs/dbraw/zinc/38/22/65/1133382265.db2.gz ASQVHHMBOTZOFY-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)c3cccc4[nH+]ccn43)c2)oc1C ZINC000770078374 1133385395 /nfs/dbraw/zinc/38/53/95/1133385395.db2.gz PPKCIGURHRQEBQ-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO Cc1ccc(SC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770103937 1133387093 /nfs/dbraw/zinc/38/70/93/1133387093.db2.gz GHUDRQOAHONIOJ-AWEZNQCLSA-N 1 2 325.437 3.553 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001180707202 1133408901 /nfs/dbraw/zinc/40/89/01/1133408901.db2.gz GCUISRKANLWWJX-BEFAXECRSA-N 1 2 342.870 3.925 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001180707202 1133408904 /nfs/dbraw/zinc/40/89/04/1133408904.db2.gz GCUISRKANLWWJX-BEFAXECRSA-N 1 2 342.870 3.925 20 0 EHADLO Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1OCC(F)F ZINC000770418346 1133426769 /nfs/dbraw/zinc/42/67/69/1133426769.db2.gz RQHWMBJYRMIPNG-UHFFFAOYSA-N 1 2 331.322 3.539 20 0 EHADLO Fc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1Cl ZINC001204286370 1133428372 /nfs/dbraw/zinc/42/83/72/1133428372.db2.gz IIIZXFBCMJOXTE-OAHLLOKOSA-N 1 2 332.797 3.785 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000770441846 1133430632 /nfs/dbraw/zinc/43/06/32/1133430632.db2.gz ONJQJPZZQXMEKX-HNNXBMFYSA-N 1 2 344.484 3.695 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC001180954752 1133436001 /nfs/dbraw/zinc/43/60/01/1133436001.db2.gz YYLQFXMUSPPASA-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO CCOc1cccc(F)c1C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC001180954752 1133436002 /nfs/dbraw/zinc/43/60/02/1133436002.db2.gz YYLQFXMUSPPASA-OAHLLOKOSA-N 1 2 335.341 3.768 20 0 EHADLO CN(CCCOc1ccc(Cl)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770658319 1133460430 /nfs/dbraw/zinc/46/04/30/1133460430.db2.gz OQPZDCUSGCRENC-UHFFFAOYSA-N 1 2 343.814 3.529 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(OC)c(Br)cc2F)CCCO1 ZINC001181154471 1133460597 /nfs/dbraw/zinc/46/05/97/1133460597.db2.gz PTAMGCZQNYNYAE-LBPRGKRZSA-N 1 2 346.240 3.598 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(Br)cc2F)CCCO1 ZINC001181154471 1133460600 /nfs/dbraw/zinc/46/06/00/1133460600.db2.gz PTAMGCZQNYNYAE-LBPRGKRZSA-N 1 2 346.240 3.598 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CCO1 ZINC000770708371 1133463612 /nfs/dbraw/zinc/46/36/12/1133463612.db2.gz YMUAONNNDAMYIR-AWEZNQCLSA-N 1 2 349.418 3.924 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CCO1 ZINC000770708371 1133463614 /nfs/dbraw/zinc/46/36/14/1133463614.db2.gz YMUAONNNDAMYIR-AWEZNQCLSA-N 1 2 349.418 3.924 20 0 EHADLO CCCC[C@H](O)CCC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001181387416 1133482397 /nfs/dbraw/zinc/48/23/97/1133482397.db2.gz VFCMPSGYPDQRIX-SJORKVTESA-N 1 2 349.519 3.675 20 0 EHADLO Cn1c(C(=O)OCc2cccc3[nH+]ccn32)ccc1-c1ccccc1 ZINC000770925588 1133485323 /nfs/dbraw/zinc/48/53/23/1133485323.db2.gz NBCDGUOUEZELMK-UHFFFAOYSA-N 1 2 331.375 3.697 20 0 EHADLO CCCCCC[C@](C)(CCC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771034076 1133502114 /nfs/dbraw/zinc/50/21/14/1133502114.db2.gz PTCMQVCKXUZFRH-QUCCMNQESA-N 1 2 338.536 3.696 20 0 EHADLO CC[C@@H]1C[N@H+](CN2c3ccccc3C(=O)C2=O)CC[C@H]1c1ccccc1 ZINC000746380269 1133514321 /nfs/dbraw/zinc/51/43/21/1133514321.db2.gz CHZQDCXXZUBWLR-SJLPKXTDSA-N 1 2 348.446 3.689 20 0 EHADLO CC[C@@H]1C[N@@H+](CN2c3ccccc3C(=O)C2=O)CC[C@H]1c1ccccc1 ZINC000746380269 1133514327 /nfs/dbraw/zinc/51/43/27/1133514327.db2.gz CHZQDCXXZUBWLR-SJLPKXTDSA-N 1 2 348.446 3.689 20 0 EHADLO CC[C@H]1C[N@H+](CN2c3ccccc3C(=O)C2=O)CC[C@H]1c1ccccc1 ZINC000746380268 1133514741 /nfs/dbraw/zinc/51/47/41/1133514741.db2.gz CHZQDCXXZUBWLR-FUHWJXTLSA-N 1 2 348.446 3.689 20 0 EHADLO CC[C@H]1C[N@@H+](CN2c3ccccc3C(=O)C2=O)CC[C@H]1c1ccccc1 ZINC000746380268 1133514746 /nfs/dbraw/zinc/51/47/46/1133514746.db2.gz CHZQDCXXZUBWLR-FUHWJXTLSA-N 1 2 348.446 3.689 20 0 EHADLO Cc1cc(OC(F)(F)F)ccc1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001181718483 1133516237 /nfs/dbraw/zinc/51/62/37/1133516237.db2.gz NQADWPKZRLEBTQ-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC001181808842 1133530649 /nfs/dbraw/zinc/53/06/49/1133530649.db2.gz QOQJXANMJQEIQA-OLZOCXBDSA-N 1 2 330.419 3.553 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc3c2NCCC3)C[C@H](C(F)(F)F)O1 ZINC001181970244 1133562456 /nfs/dbraw/zinc/56/24/56/1133562456.db2.gz BMSFHWADYDSURP-CQSZACIVSA-N 1 2 328.378 3.586 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc3c2NCCC3)C[C@H](C(F)(F)F)O1 ZINC001181970244 1133562461 /nfs/dbraw/zinc/56/24/61/1133562461.db2.gz BMSFHWADYDSURP-CQSZACIVSA-N 1 2 328.378 3.586 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1ccncc1)c1ccccc1Cl ZINC001182218398 1133597926 /nfs/dbraw/zinc/59/79/26/1133597926.db2.gz JAYFGOADAVUMHX-KDOFPFPSSA-N 1 2 345.874 3.995 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N(C)CC(F)(F)F)c1ccccc1Cl ZINC001182218842 1133598070 /nfs/dbraw/zinc/59/80/70/1133598070.db2.gz MIJFFGOAPWVVML-CYBMUJFWSA-N 1 2 336.785 3.744 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1ccncc1)c1ccccc1Cl ZINC001182218400 1133598197 /nfs/dbraw/zinc/59/81/97/1133598197.db2.gz JAYFGOADAVUMHX-RDTXWAMCSA-N 1 2 345.874 3.995 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1Cl ZINC001182222943 1133599007 /nfs/dbraw/zinc/59/90/07/1133599007.db2.gz GZGVSTZIIWQOAR-CSFVBSKPSA-N 1 2 338.854 3.539 20 0 EHADLO COc1ccccc1/C=C(/C(=O)OCCn1cc[nH+]c1)c1ccccc1 ZINC000771859360 1133608244 /nfs/dbraw/zinc/60/82/44/1133608244.db2.gz RTKPUKDARHSPEL-XDJHFCHBSA-N 1 2 348.402 3.676 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCC3(C)C)CC2)cc1 ZINC000772097697 1133639110 /nfs/dbraw/zinc/63/91/10/1133639110.db2.gz PVIQKUZOLJANEK-IBGZPJMESA-N 1 2 343.515 3.664 20 0 EHADLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206505556 1133651564 /nfs/dbraw/zinc/65/15/64/1133651564.db2.gz RGIDMNNXTKFGEJ-LLVKDONJSA-N 1 2 341.146 3.568 20 0 EHADLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206505556 1133651565 /nfs/dbraw/zinc/65/15/65/1133651565.db2.gz RGIDMNNXTKFGEJ-LLVKDONJSA-N 1 2 341.146 3.568 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)C2CCCCC2)c1C ZINC000772355899 1133674623 /nfs/dbraw/zinc/67/46/23/1133674623.db2.gz CJDUCXMWZJEVES-HNNXBMFYSA-N 1 2 333.476 3.817 20 0 EHADLO COc1cc(C)c(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000772620246 1133704646 /nfs/dbraw/zinc/70/46/46/1133704646.db2.gz HQHZPQLJAJACDB-UHFFFAOYSA-N 1 2 343.427 3.654 20 0 EHADLO Cc1nc(F)ccc1C[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000785509782 1133713186 /nfs/dbraw/zinc/71/31/86/1133713186.db2.gz RCBGQBNIPVZNGG-IBGZPJMESA-N 1 2 325.362 3.942 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000785516116 1133716299 /nfs/dbraw/zinc/71/62/99/1133716299.db2.gz GCCJYFLIFOPPMF-WMZOPIPTSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000785516116 1133716303 /nfs/dbraw/zinc/71/63/03/1133716303.db2.gz GCCJYFLIFOPPMF-WMZOPIPTSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC001182990817 1133754316 /nfs/dbraw/zinc/75/43/16/1133754316.db2.gz TWYIVWOGYSPMMR-QGZVFWFLSA-N 1 2 325.330 3.942 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC001182990817 1133754324 /nfs/dbraw/zinc/75/43/24/1133754324.db2.gz TWYIVWOGYSPMMR-QGZVFWFLSA-N 1 2 325.330 3.942 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183032058 1133758995 /nfs/dbraw/zinc/75/89/95/1133758995.db2.gz ZEONVHQCDQKKSC-JLTOFOAXSA-N 1 2 349.409 3.919 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nccc2ccncc21)c1ccc(Cl)cc1 ZINC001183367306 1133800225 /nfs/dbraw/zinc/80/02/25/1133800225.db2.gz DBOUXPOHSYESRF-INIZCTEOSA-N 1 2 340.814 3.525 20 0 EHADLO CC(=O)CCC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000786226002 1133822868 /nfs/dbraw/zinc/82/28/68/1133822868.db2.gz ACPJJBWGGOEZSU-UHFFFAOYSA-N 1 2 328.412 3.619 20 0 EHADLO Cc1cccc([C@H]2CC(=O)N(C[N@@H+]3Cc4ccccc4C4(CC4)C3)C2)c1 ZINC000774676214 1133849301 /nfs/dbraw/zinc/84/93/01/1133849301.db2.gz KTNKMNKLWZWWHA-FQEVSTJZSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1cccc([C@H]2CC(=O)N(C[N@H+]3Cc4ccccc4C4(CC4)C3)C2)c1 ZINC000774676214 1133849310 /nfs/dbraw/zinc/84/93/10/1133849310.db2.gz KTNKMNKLWZWWHA-FQEVSTJZSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1cccn2c(CN[C@H](C)c3noc(-c4ccccc4)n3)c[nH+]c12 ZINC000153217916 1133868541 /nfs/dbraw/zinc/86/85/41/1133868541.db2.gz OFMLAQQCWKTBFW-CQSZACIVSA-N 1 2 333.395 3.544 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C(C)(C)CC2CCC2)CC1 ZINC001183916141 1133878052 /nfs/dbraw/zinc/87/80/52/1133878052.db2.gz QQQVWPICIVERCP-UHFFFAOYSA-N 1 2 329.488 3.672 20 0 EHADLO COc1cccc(-c2cc(C[NH2+]Cc3cnc4ccccc4n3)on2)c1 ZINC001183991978 1133886801 /nfs/dbraw/zinc/88/68/01/1133886801.db2.gz PQAWAGLGTXXSLT-UHFFFAOYSA-N 1 2 346.390 3.583 20 0 EHADLO COC(=O)c1cnc(C[NH+]2CCC(c3cc(C)ccc3C)CC2)s1 ZINC001184187591 1133902586 /nfs/dbraw/zinc/90/25/86/1133902586.db2.gz GYUFASOAQXDBEA-UHFFFAOYSA-N 1 2 344.480 3.926 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000787062246 1133952117 /nfs/dbraw/zinc/95/21/17/1133952117.db2.gz TVXAQZCPSJJTTJ-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000787062246 1133952123 /nfs/dbraw/zinc/95/21/23/1133952123.db2.gz TVXAQZCPSJJTTJ-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](CCc2ccccc2)C2CC2)cs1 ZINC000746652494 1133962281 /nfs/dbraw/zinc/96/22/81/1133962281.db2.gz OMSKCVGRUZQYNJ-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](CCc2ccccc2)C2CC2)cs1 ZINC000746652494 1133962288 /nfs/dbraw/zinc/96/22/88/1133962288.db2.gz OMSKCVGRUZQYNJ-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO Cn1nc(Br)cc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000787196823 1133973446 /nfs/dbraw/zinc/97/34/46/1133973446.db2.gz OROPNXRQMYYDLP-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000787196823 1133973449 /nfs/dbraw/zinc/97/34/49/1133973449.db2.gz OROPNXRQMYYDLP-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000787205860 1133974791 /nfs/dbraw/zinc/97/47/91/1133974791.db2.gz NOCRMMMHSSZMKC-UHFFFAOYSA-N 1 2 344.768 3.857 20 0 EHADLO Cc1ccc(F)c(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001185256346 1134058059 /nfs/dbraw/zinc/05/80/59/1134058059.db2.gz ZVASZYHSKVVCNY-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(N2CCCC2=O)cc1 ZINC000788022204 1134074219 /nfs/dbraw/zinc/07/42/19/1134074219.db2.gz ZJAYPKVYADJKDI-CQSZACIVSA-N 1 2 341.455 3.950 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC001185520626 1134102513 /nfs/dbraw/zinc/10/25/13/1134102513.db2.gz HOBCLDZJXNNAEQ-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO Cc1cc(N(C)Cc2cc(Br)cn2C)nc(C2CCC2)[nH+]1 ZINC001185792867 1134136522 /nfs/dbraw/zinc/13/65/22/1134136522.db2.gz IWYSCGTYMWIHOO-UHFFFAOYSA-N 1 2 349.276 3.790 20 0 EHADLO Cc1cc(C)c(/C=C\C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000788832135 1134179295 /nfs/dbraw/zinc/17/92/95/1134179295.db2.gz LUSCVBJMVUCMAZ-BBIZLLLXSA-N 1 2 336.435 3.700 20 0 EHADLO C[C@H](CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C)OCc1ccccc1 ZINC000789082525 1134219516 /nfs/dbraw/zinc/21/95/16/1134219516.db2.gz IHEUODNDMMFXIH-YLJYHZDGSA-N 1 2 341.451 3.828 20 0 EHADLO Cc1cn2c(cccc2NC(=O)NCc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC001186773919 1134256723 /nfs/dbraw/zinc/25/67/23/1134256723.db2.gz PWPLTFQFGUNJSZ-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](CC)c2ccccc2OC)cs1 ZINC000775076483 1134283318 /nfs/dbraw/zinc/28/33/18/1134283318.db2.gz KSPMKUCANFTKJC-AWEZNQCLSA-N 1 2 334.441 3.569 20 0 EHADLO COc1ccccc1[C@@H]1C[C@H]1Nc1nc(C)[nH+]c(C)c1Br ZINC001187052444 1134288953 /nfs/dbraw/zinc/28/89/53/1134288953.db2.gz HCOZKEFTOAYUQI-QWHCGFSZSA-N 1 2 348.244 3.833 20 0 EHADLO CCNc1cc(CNc2nc3cc(C)nn3c3ccccc32)cc[nH+]1 ZINC001187241966 1134313067 /nfs/dbraw/zinc/31/30/67/1134313067.db2.gz DGDBAISQMXOCGO-UHFFFAOYSA-N 1 2 332.411 3.630 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001187637860 1134360578 /nfs/dbraw/zinc/36/05/78/1134360578.db2.gz UZXWJLWPBIFXRZ-MRXNPFEDSA-N 1 2 337.414 3.586 20 0 EHADLO CNc1cc(CNc2nc(C)nc3sc4c(c32)CCC4)cc[nH+]1 ZINC001187686821 1134367053 /nfs/dbraw/zinc/36/70/53/1134367053.db2.gz SRMMHFKUYWSONQ-UHFFFAOYSA-N 1 2 325.441 3.537 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C2 ZINC000790447141 1134419713 /nfs/dbraw/zinc/41/97/13/1134419713.db2.gz NHKQJJCWAPCHIE-IBGZPJMESA-N 1 2 340.854 3.938 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C2 ZINC000790447141 1134419719 /nfs/dbraw/zinc/41/97/19/1134419719.db2.gz NHKQJJCWAPCHIE-IBGZPJMESA-N 1 2 340.854 3.938 20 0 EHADLO COCC[N@H+](Cn1nc(C2CC2)sc1=S)[C@H]1CC[C@@H](C)C1 ZINC000790477744 1134422758 /nfs/dbraw/zinc/42/27/58/1134422758.db2.gz HPKSTAKYXKCXKJ-YPMHNXCESA-N 1 2 327.519 3.646 20 0 EHADLO COCC[N@@H+](Cn1nc(C2CC2)sc1=S)[C@H]1CC[C@@H](C)C1 ZINC000790477744 1134422760 /nfs/dbraw/zinc/42/27/60/1134422760.db2.gz HPKSTAKYXKCXKJ-YPMHNXCESA-N 1 2 327.519 3.646 20 0 EHADLO COc1ccc(OC)c(NC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001188312842 1134450847 /nfs/dbraw/zinc/45/08/47/1134450847.db2.gz NFEKCQJRTBFZKD-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO COc1cc(C)[nH+]c(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000790947512 1134483286 /nfs/dbraw/zinc/48/32/86/1134483286.db2.gz WRWXLLGLZOUIBZ-IYBDPMFKSA-N 1 2 341.455 3.624 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)c1nnnn1C1CC1 ZINC000791009235 1134493118 /nfs/dbraw/zinc/49/31/18/1134493118.db2.gz NXRWBYWJVLGULU-NSHDSACASA-N 1 2 343.431 3.726 20 0 EHADLO COc1ccc(NC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1OC ZINC001188753987 1134498883 /nfs/dbraw/zinc/49/88/83/1134498883.db2.gz LJCYWFIUEKZCQF-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001188753302 1134499386 /nfs/dbraw/zinc/49/93/86/1134499386.db2.gz JUIQMEKMNPOIQJ-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCc1ccsc1 ZINC000791305611 1134528116 /nfs/dbraw/zinc/52/81/16/1134528116.db2.gz LUQORNCCMSIDNQ-UHFFFAOYSA-N 1 2 326.421 3.918 20 0 EHADLO Cc1ccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791349801 1134539075 /nfs/dbraw/zinc/53/90/75/1134539075.db2.gz DATNWVNDCJOXDA-UHFFFAOYSA-N 1 2 326.421 3.837 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(Cl)cn1 ZINC000791390375 1134543153 /nfs/dbraw/zinc/54/31/53/1134543153.db2.gz JHIRAOVBBDUIOE-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO Cn1c2ccccc2c2cc(C(=O)OCc3cc[nH+]c(N)c3)sc21 ZINC000791457672 1134554810 /nfs/dbraw/zinc/55/48/10/1134554810.db2.gz XICAKIGDVICZOG-UHFFFAOYSA-N 1 2 337.404 3.727 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584117 1134571590 /nfs/dbraw/zinc/57/15/90/1134571590.db2.gz NMUPLFXNVSCWQX-JOYOIKCWSA-N 1 2 329.297 3.648 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584117 1134571594 /nfs/dbraw/zinc/57/15/94/1134571594.db2.gz NMUPLFXNVSCWQX-JOYOIKCWSA-N 1 2 329.297 3.648 20 0 EHADLO CCc1c(NC(=O)c2cccc3[nH+]ccn32)cnn1-c1cccc(C)c1 ZINC000791614901 1134576790 /nfs/dbraw/zinc/57/67/90/1134576790.db2.gz WEYXSVYNNCOTDP-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO Nc1cc(COC(=O)c2cccc(-c3c(F)cccc3F)c2)cc[nH+]1 ZINC000792068404 1134647479 /nfs/dbraw/zinc/64/74/79/1134647479.db2.gz DAGNHCFASZVAII-UHFFFAOYSA-N 1 2 340.329 3.966 20 0 EHADLO C[C@@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccc(Br)cc1 ZINC000792040927 1134648865 /nfs/dbraw/zinc/64/88/65/1134648865.db2.gz LPOOWCBKQYNNBT-NSHDSACASA-N 1 2 349.228 3.663 20 0 EHADLO CC1(C)CN(C(=O)c2ccccc2-n2cc[nH+]c2)Cc2ccccc21 ZINC001190097720 1134654890 /nfs/dbraw/zinc/65/48/90/1134654890.db2.gz QJKBHXGUEHESBI-UHFFFAOYSA-N 1 2 331.419 3.806 20 0 EHADLO Nc1cccc2cccc(NC(=O)c3ccccc3-n3cc[nH+]c3)c12 ZINC001190098151 1134655197 /nfs/dbraw/zinc/65/51/97/1134655197.db2.gz UMFSXPVVIKLYQN-UHFFFAOYSA-N 1 2 328.375 3.860 20 0 EHADLO O=C(Nc1cccc2c1C(=O)CCC2)c1ccccc1-n1cc[nH+]c1 ZINC001190099392 1134655837 /nfs/dbraw/zinc/65/58/37/1134655837.db2.gz HQBDYEYAZJZLIA-UHFFFAOYSA-N 1 2 331.375 3.644 20 0 EHADLO COc1ccccc1CC(C)(C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190114180 1134661409 /nfs/dbraw/zinc/66/14/09/1134661409.db2.gz PFRUOLYBYKJHOI-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO COc1ccccc1Cc1cn(CC(=O)C2CCC(F)(F)CC2)c[nH+]1 ZINC001190274495 1134676246 /nfs/dbraw/zinc/67/62/46/1134676246.db2.gz UDTFLXHVVHTHHR-UHFFFAOYSA-N 1 2 348.393 3.877 20 0 EHADLO CCOC(=O)c1nc(C)oc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718608 1134687797 /nfs/dbraw/zinc/68/77/97/1134687797.db2.gz HNNFAYHRIXBWQS-UHFFFAOYSA-N 1 2 329.400 3.894 20 0 EHADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC001170184958 1134701377 /nfs/dbraw/zinc/70/13/77/1134701377.db2.gz YUWJSIQLAWPRFY-OTWHNJEPSA-N 1 2 347.499 3.877 20 0 EHADLO Nc1[nH+]ccc2c1CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)CC2 ZINC001170260067 1134725988 /nfs/dbraw/zinc/72/59/88/1134725988.db2.gz YYXVMWCXRKMZDW-UPHRSURJSA-N 1 2 348.233 3.569 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170353854 1134753996 /nfs/dbraw/zinc/75/39/96/1134753996.db2.gz KXPXENVFRBOACC-UHFFFAOYSA-N 1 2 333.476 3.565 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001191139716 1134810525 /nfs/dbraw/zinc/81/05/25/1134810525.db2.gz YZMLRTWMOOSIGL-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO C[C@H]1C[N@H+](CCCSCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001191216015 1134818575 /nfs/dbraw/zinc/81/85/75/1134818575.db2.gz XLJGDRCKXQASGB-ZFWWWQNUSA-N 1 2 333.419 3.962 20 0 EHADLO C[C@H]1C[N@@H+](CCCSCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001191216015 1134818582 /nfs/dbraw/zinc/81/85/82/1134818582.db2.gz XLJGDRCKXQASGB-ZFWWWQNUSA-N 1 2 333.419 3.962 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792921777 1134825828 /nfs/dbraw/zinc/82/58/28/1134825828.db2.gz MYVATOUNRIMOHV-NWDGAFQWSA-N 1 2 334.769 3.897 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792921777 1134825838 /nfs/dbraw/zinc/82/58/38/1134825838.db2.gz MYVATOUNRIMOHV-NWDGAFQWSA-N 1 2 334.769 3.897 20 0 EHADLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1c[nH+]cn1C ZINC000793159182 1134858048 /nfs/dbraw/zinc/85/80/48/1134858048.db2.gz CRFURKMGXGOMFE-CYBMUJFWSA-N 1 2 340.345 3.751 20 0 EHADLO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473129 1134869475 /nfs/dbraw/zinc/86/94/75/1134869475.db2.gz CRCLMPLXRWJHLB-CRAIPNDOSA-N 1 2 333.472 3.914 20 0 EHADLO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473129 1134869477 /nfs/dbraw/zinc/86/94/77/1134869477.db2.gz CRCLMPLXRWJHLB-CRAIPNDOSA-N 1 2 333.472 3.914 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000793254622 1134890153 /nfs/dbraw/zinc/89/01/53/1134890153.db2.gz VUDCOZLCXPEACQ-UHFFFAOYSA-N 1 2 338.194 3.608 20 0 EHADLO OCC[N@H+](Cc1ccc(C(F)F)cc1)Cc1cccnc1Cl ZINC000793366935 1134911367 /nfs/dbraw/zinc/91/13/67/1134911367.db2.gz UALKQEOKQFOYFG-UHFFFAOYSA-N 1 2 326.774 3.667 20 0 EHADLO OCC[N@@H+](Cc1ccc(C(F)F)cc1)Cc1cccnc1Cl ZINC000793366935 1134911373 /nfs/dbraw/zinc/91/13/73/1134911373.db2.gz UALKQEOKQFOYFG-UHFFFAOYSA-N 1 2 326.774 3.667 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1Br ZINC000158009636 1134911954 /nfs/dbraw/zinc/91/19/54/1134911954.db2.gz QDABFKXLNZPOEO-UHFFFAOYSA-N 1 2 349.247 3.910 20 0 EHADLO C[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(F)(F)F ZINC000793391186 1134923066 /nfs/dbraw/zinc/92/30/66/1134923066.db2.gz NDKRRNNEMVYAJS-LLVKDONJSA-N 1 2 338.329 3.990 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1C ZINC000793543798 1134953058 /nfs/dbraw/zinc/95/30/58/1134953058.db2.gz RFTFPDNPQJHVNJ-CYBMUJFWSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1C ZINC000793543798 1134953065 /nfs/dbraw/zinc/95/30/65/1134953065.db2.gz RFTFPDNPQJHVNJ-CYBMUJFWSA-N 1 2 330.497 3.741 20 0 EHADLO CCc1c(Br)cccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001192409658 1135015954 /nfs/dbraw/zinc/01/59/54/1135015954.db2.gz CHTKAKBMRWIKSP-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000794204700 1135027794 /nfs/dbraw/zinc/02/77/94/1135027794.db2.gz DMFDUFZEVYNPEM-QGZVFWFLSA-N 1 2 346.434 3.947 20 0 EHADLO CC(C)([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccc(F)c(F)c1 ZINC001192720009 1135051645 /nfs/dbraw/zinc/05/16/45/1135051645.db2.gz QZYXVIVVOUOHCT-UHFFFAOYSA-N 1 2 345.349 3.745 20 0 EHADLO CCc1nc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc(C)[nH+]1 ZINC000804564098 1135121509 /nfs/dbraw/zinc/12/15/09/1135121509.db2.gz LKHLIWLTRFEKGU-QGZVFWFLSA-N 1 2 337.423 3.681 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cnc(OC)c2ccccc12)C1CC1 ZINC001193562992 1135153109 /nfs/dbraw/zinc/15/31/09/1135153109.db2.gz HXCWSXRLNWDJRD-GOSISDBHSA-N 1 2 342.439 3.550 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cnc(OC)c2ccccc12)C1CC1 ZINC001193562992 1135153113 /nfs/dbraw/zinc/15/31/13/1135153113.db2.gz HXCWSXRLNWDJRD-GOSISDBHSA-N 1 2 342.439 3.550 20 0 EHADLO CCCN1CC[N@H+](Cc2cccc(OC(C)(C)C)c2)C(C)(C)C1=O ZINC001193626821 1135161220 /nfs/dbraw/zinc/16/12/20/1135161220.db2.gz OUXJJWLDCIVOMC-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO CCCN1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C(C)(C)C1=O ZINC001193626821 1135161226 /nfs/dbraw/zinc/16/12/26/1135161226.db2.gz OUXJJWLDCIVOMC-UHFFFAOYSA-N 1 2 332.488 3.697 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(F)c1)OC1CCCCC1 ZINC001193650121 1135166621 /nfs/dbraw/zinc/16/66/21/1135166621.db2.gz DXCWUSBOFVSQPF-UHFFFAOYSA-N 1 2 331.391 3.629 20 0 EHADLO [NH2+]=C(Nc1ccc2c(c1)NCC2)c1ccc(Br)cc1F ZINC001170465056 1135184653 /nfs/dbraw/zinc/18/46/53/1135184653.db2.gz RTLDQQOTUAACKC-UHFFFAOYSA-N 1 2 334.192 3.994 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(NC4CC4)nc3)c2)[nH+]c1C ZINC000747214247 1135198823 /nfs/dbraw/zinc/19/88/23/1135198823.db2.gz UEZJBRINJDJNDM-UHFFFAOYSA-N 1 2 347.422 3.915 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)sn1 ZINC001194052072 1135222693 /nfs/dbraw/zinc/22/26/93/1135222693.db2.gz NNHJJFNFQBXKJH-GOSISDBHSA-N 1 2 325.437 3.734 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnn([C@@H](C)c4ccccc4)c3)ccn12 ZINC001130222390 1135280195 /nfs/dbraw/zinc/28/01/95/1135280195.db2.gz HBDHINGBXYRVTN-HNNXBMFYSA-N 1 2 345.406 3.701 20 0 EHADLO CCC(CC)COC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001194706533 1135310805 /nfs/dbraw/zinc/31/08/05/1135310805.db2.gz IPKPVNPPUDTQTF-UHFFFAOYSA-N 1 2 347.503 3.809 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nn2)[C@@H](c2ccco2)C1 ZINC000775608698 1135314178 /nfs/dbraw/zinc/31/41/78/1135314178.db2.gz FCFBGWLSADGIAE-VQIMIIECSA-N 1 2 336.439 3.893 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@@H](c2ccco2)C1 ZINC000775608698 1135314184 /nfs/dbraw/zinc/31/41/84/1135314184.db2.gz FCFBGWLSADGIAE-VQIMIIECSA-N 1 2 336.439 3.893 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000805789844 1135328246 /nfs/dbraw/zinc/32/82/46/1135328246.db2.gz MACVISRXMZEUTR-CMPLNLGQSA-N 1 2 329.275 3.506 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000805789844 1135328252 /nfs/dbraw/zinc/32/82/52/1135328252.db2.gz MACVISRXMZEUTR-CMPLNLGQSA-N 1 2 329.275 3.506 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C(=O)C3CC3)cc2)c1 ZINC001194908322 1135338890 /nfs/dbraw/zinc/33/88/90/1135338890.db2.gz WIYSFVFYUBKQRJ-UHFFFAOYSA-N 1 2 345.402 3.932 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194916827 1135340381 /nfs/dbraw/zinc/34/03/81/1135340381.db2.gz FFAYMWRIXYBWPY-MRXNPFEDSA-N 1 2 333.435 3.838 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Oc2ccc(F)cc2)CC1 ZINC001195035666 1135357355 /nfs/dbraw/zinc/35/73/55/1135357355.db2.gz NOUOOHUWDWMDJU-CQSZACIVSA-N 1 2 346.377 3.842 20 0 EHADLO CC[C@H]1CC([N@@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494468 1135362582 /nfs/dbraw/zinc/36/25/82/1135362582.db2.gz VYQNAXCCWSZXJK-GJZGRUSLSA-N 1 2 338.492 3.608 20 0 EHADLO CC[C@H]1CC([N@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494468 1135362586 /nfs/dbraw/zinc/36/25/86/1135362586.db2.gz VYQNAXCCWSZXJK-GJZGRUSLSA-N 1 2 338.492 3.608 20 0 EHADLO O=C(c1cc(Cl)c(Cl)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001195173548 1135387576 /nfs/dbraw/zinc/38/75/76/1135387576.db2.gz ZALYPFJMQASJSC-UHFFFAOYSA-N 1 2 330.240 3.798 20 0 EHADLO O=C(c1cc(Cl)c(Cl)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001195173548 1135387572 /nfs/dbraw/zinc/38/75/72/1135387572.db2.gz ZALYPFJMQASJSC-UHFFFAOYSA-N 1 2 330.240 3.798 20 0 EHADLO Cc1cccc(C2=CC[N@H+](Cc3cn(Cc4ccccc4)nn3)CC2)c1 ZINC000775649012 1135405152 /nfs/dbraw/zinc/40/51/52/1135405152.db2.gz DOAWXINNCMKSLW-UHFFFAOYSA-N 1 2 344.462 3.924 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](Cc3cn(Cc4ccccc4)nn3)CC2)c1 ZINC000775649012 1135405156 /nfs/dbraw/zinc/40/51/56/1135405156.db2.gz DOAWXINNCMKSLW-UHFFFAOYSA-N 1 2 344.462 3.924 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1c(C)cccc1Cl)CC2 ZINC001195475515 1135430299 /nfs/dbraw/zinc/43/02/99/1135430299.db2.gz BYTYNWWGMLKORP-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1c(C)cccc1Cl)CC2 ZINC001195475515 1135430300 /nfs/dbraw/zinc/43/03/00/1135430300.db2.gz BYTYNWWGMLKORP-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000775669507 1135465695 /nfs/dbraw/zinc/46/56/95/1135465695.db2.gz AEYYVCXOUYUWPL-RDJZCZTQSA-N 1 2 345.874 3.797 20 0 EHADLO Cc1cn2c(cccc2NC(=S)NCc2cccc(Cl)c2)[nH+]1 ZINC001195946507 1135498506 /nfs/dbraw/zinc/49/85/06/1135498506.db2.gz OSDYTEQAXYVRFG-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(Cl)c1)[C@H](C)C(=O)OC(C)(C)C ZINC001196057671 1135509238 /nfs/dbraw/zinc/50/92/38/1135509238.db2.gz SCLFOUOOCIWWOX-GFCCVEGCSA-N 1 2 327.852 3.901 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@H](C)C(=O)OC(C)(C)C ZINC001196057671 1135509241 /nfs/dbraw/zinc/50/92/41/1135509241.db2.gz SCLFOUOOCIWWOX-GFCCVEGCSA-N 1 2 327.852 3.901 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)n(CC)c2=S)cc1 ZINC000102389073 1135538885 /nfs/dbraw/zinc/53/88/85/1135538885.db2.gz QZKAAORXMSIKBK-KRWDZBQOSA-N 1 2 346.500 3.936 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)n(CC)c2=S)cc1 ZINC000102389073 1135538888 /nfs/dbraw/zinc/53/88/88/1135538888.db2.gz QZKAAORXMSIKBK-KRWDZBQOSA-N 1 2 346.500 3.936 20 0 EHADLO CC/C(=C\C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(OC)cc1 ZINC000747404090 1135551908 /nfs/dbraw/zinc/55/19/08/1135551908.db2.gz ZWPUUOBLDXUMIV-QCUIPMNBSA-N 1 2 339.439 3.549 20 0 EHADLO Cc1cccc(NC(=S)N2CCCN(c3cccc[nH+]3)CC2)c1C ZINC001196385744 1135553181 /nfs/dbraw/zinc/55/31/81/1135553181.db2.gz MEBSVZKFLJCETB-UHFFFAOYSA-N 1 2 340.496 3.608 20 0 EHADLO C[NH+]1CCC(c2ccc(NC(=O)c3cc(Cl)ncc3O)cc2)CC1 ZINC001196395488 1135554471 /nfs/dbraw/zinc/55/44/71/1135554471.db2.gz GNELTJFAKWFNLV-UHFFFAOYSA-N 1 2 345.830 3.502 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000867179842 1135574724 /nfs/dbraw/zinc/57/47/24/1135574724.db2.gz BYDCAWNVYYQJKY-HZPDHXFCSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000867179842 1135574728 /nfs/dbraw/zinc/57/47/28/1135574728.db2.gz BYDCAWNVYYQJKY-HZPDHXFCSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1c(NC(=O)c2cccc3[nH+]ccn32)cnn1-c1cc(C)ccc1C ZINC000747438379 1135594112 /nfs/dbraw/zinc/59/41/12/1135594112.db2.gz SSUVFRBWQQYYMQ-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO O=C1N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)CCN1c1ccccc1 ZINC000808137128 1135621939 /nfs/dbraw/zinc/62/19/39/1135621939.db2.gz VXQZXHZPJPERCR-UHFFFAOYSA-N 1 2 339.414 3.690 20 0 EHADLO O=C1N(C[N@H+](Cc2ccc(F)cc2)C2CC2)CCN1c1ccccc1 ZINC000808137128 1135621941 /nfs/dbraw/zinc/62/19/41/1135621941.db2.gz VXQZXHZPJPERCR-UHFFFAOYSA-N 1 2 339.414 3.690 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000808141465 1135623600 /nfs/dbraw/zinc/62/36/00/1135623600.db2.gz DLZCSQWLEGPSSR-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000808141465 1135623604 /nfs/dbraw/zinc/62/36/04/1135623604.db2.gz DLZCSQWLEGPSSR-MRXNPFEDSA-N 1 2 328.378 3.743 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1ccncc1)CC2 ZINC000808180399 1135626309 /nfs/dbraw/zinc/62/63/09/1135626309.db2.gz KDLQCZJONHKFFH-HXUWFJFHSA-N 1 2 349.478 3.624 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](CN1C(=O)C(C)(C)[C@H]1c1ccncc1)CC2 ZINC000808180399 1135626313 /nfs/dbraw/zinc/62/63/13/1135626313.db2.gz KDLQCZJONHKFFH-HXUWFJFHSA-N 1 2 349.478 3.624 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(F)(c3ccccc3OC)CC2)C1 ZINC000808184227 1135627250 /nfs/dbraw/zinc/62/72/50/1135627250.db2.gz YWVODCVDNOKQSX-IBGZPJMESA-N 1 2 348.462 3.562 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnc(-c2ccccc2Cl)nc1 ZINC001131309685 1135672322 /nfs/dbraw/zinc/67/23/22/1135672322.db2.gz URBVAVUYPAZJJH-UHFFFAOYSA-N 1 2 349.781 3.697 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCC[C@@H]3CC3CCC3)[nH+]c12 ZINC001131311883 1135673721 /nfs/dbraw/zinc/67/37/21/1135673721.db2.gz IAESQQVHBDRHMG-GOSISDBHSA-N 1 2 325.456 3.757 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198052843 1135765259 /nfs/dbraw/zinc/76/52/59/1135765259.db2.gz IZMKDSATJAHEMV-UHFFFAOYSA-N 1 2 342.390 3.621 20 0 EHADLO Cc1sccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001131587344 1135793383 /nfs/dbraw/zinc/79/33/83/1135793383.db2.gz RWDPPPLIGLMGBL-MRXNPFEDSA-N 1 2 325.437 3.504 20 0 EHADLO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC001198429878 1135814226 /nfs/dbraw/zinc/81/42/26/1135814226.db2.gz OCQXXNHGGZWNMW-LBPRGKRZSA-N 1 2 325.250 3.652 20 0 EHADLO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC001198429878 1135814219 /nfs/dbraw/zinc/81/42/19/1135814219.db2.gz OCQXXNHGGZWNMW-LBPRGKRZSA-N 1 2 325.250 3.652 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000338907954 1135828094 /nfs/dbraw/zinc/82/80/94/1135828094.db2.gz NVUQTOSUZMWOBI-UHFFFAOYSA-N 1 2 339.826 3.910 20 0 EHADLO Cc1cccn2cc(Cc3noc(C[C@H]4CCC(F)(F)C4)n3)[nH+]c12 ZINC000809367086 1135832246 /nfs/dbraw/zinc/83/22/46/1135832246.db2.gz FXXSRFOAVQZUFZ-GFCCVEGCSA-N 1 2 332.354 3.594 20 0 EHADLO Cc1cccnc1[C@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001198641995 1135841839 /nfs/dbraw/zinc/84/18/39/1135841839.db2.gz VIYKFKHPNOYLBH-ZDUSSCGKSA-N 1 2 328.366 3.705 20 0 EHADLO CCCCOc1ccccc1NC(=O)NCc1cc[nH+]c(NC)c1 ZINC001198758147 1135854697 /nfs/dbraw/zinc/85/46/97/1135854697.db2.gz KCNJRLVTIPOFQN-UHFFFAOYSA-N 1 2 328.416 3.624 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809605700 1135856301 /nfs/dbraw/zinc/85/63/01/1135856301.db2.gz GJKLJGJIQZIHJA-CYBMUJFWSA-N 1 2 348.468 3.827 20 0 EHADLO CC[C@@H](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(C)(C)C ZINC001131919799 1135899889 /nfs/dbraw/zinc/89/98/89/1135899889.db2.gz QWFBSUPKIRLMPR-INIZCTEOSA-N 1 2 349.544 3.713 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](Sc4ccccc4)C3)ccn12 ZINC001131937616 1135901254 /nfs/dbraw/zinc/90/12/54/1135901254.db2.gz TYMLEGMUPQTGEI-JCNLHEQBSA-N 1 2 337.448 3.696 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)OCCC(F)(F)F ZINC000867318779 1135904358 /nfs/dbraw/zinc/90/43/58/1135904358.db2.gz GLLKDBBHYDPJSR-UHFFFAOYSA-N 1 2 347.724 3.704 20 0 EHADLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc2[nH+]ccn21 ZINC000776003055 1135916536 /nfs/dbraw/zinc/91/65/36/1135916536.db2.gz XLNDKJPRFXKYQY-AWEZNQCLSA-N 1 2 341.798 3.631 20 0 EHADLO Cc1cc(OC2CC[NH+](Cc3cccc(Cl)c3F)CC2)ncn1 ZINC001137963579 1135934991 /nfs/dbraw/zinc/93/49/91/1135934991.db2.gz PNUFHEUFPXPSPC-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC001137963319 1135936812 /nfs/dbraw/zinc/93/68/12/1135936812.db2.gz BZKJIABBOWFKJW-OCCSQVGLSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC001137963319 1135936815 /nfs/dbraw/zinc/93/68/15/1135936815.db2.gz BZKJIABBOWFKJW-OCCSQVGLSA-N 1 2 340.826 3.530 20 0 EHADLO CCC(CC)(CNC(=O)C(F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378870 1135960297 /nfs/dbraw/zinc/96/02/97/1135960297.db2.gz JOGRDEQWUZCXSX-GXTWGEPZSA-N 1 2 348.384 3.913 20 0 EHADLO CCC(CC)(CNC(=O)[C@@H](F)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000810378870 1135960299 /nfs/dbraw/zinc/96/02/99/1135960299.db2.gz JOGRDEQWUZCXSX-GXTWGEPZSA-N 1 2 348.384 3.913 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(C(C)C)cn2)[nH+]1 ZINC000810582914 1135978530 /nfs/dbraw/zinc/97/85/30/1135978530.db2.gz INAJRDRURRKHSW-UHFFFAOYSA-N 1 2 342.439 3.715 20 0 EHADLO C[C@H]1CCC[C@H](COC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810655654 1135986511 /nfs/dbraw/zinc/98/65/11/1135986511.db2.gz VPZQSRBLJPWMAQ-WMZOPIPTSA-N 1 2 326.440 3.843 20 0 EHADLO Cc1cc(I)cc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201285483 1136001215 /nfs/dbraw/zinc/00/12/15/1136001215.db2.gz IXHJZGHIESCDRQ-UHFFFAOYSA-N 1 2 339.180 3.629 20 0 EHADLO Nc1ccc(Nc2ccc(C(F)(F)F)nc2Br)c[nH+]1 ZINC001201275979 1136003232 /nfs/dbraw/zinc/00/32/32/1136003232.db2.gz NRUBIMQFKXFDOG-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Oc1ccc2cc[nH]c2c1 ZINC000810876173 1136015530 /nfs/dbraw/zinc/01/55/30/1136015530.db2.gz CTLVUSAFARWZHN-UHFFFAOYSA-N 1 2 331.375 3.561 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001132621725 1136046944 /nfs/dbraw/zinc/04/69/44/1136046944.db2.gz IUYOTGMKZPFEDY-KUHUBIRLSA-N 1 2 342.870 3.822 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001132621725 1136046948 /nfs/dbraw/zinc/04/69/48/1136046948.db2.gz IUYOTGMKZPFEDY-KUHUBIRLSA-N 1 2 342.870 3.822 20 0 EHADLO FC(F)COc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC001201823369 1136067898 /nfs/dbraw/zinc/06/78/98/1136067898.db2.gz YSOUTYKHULJAAG-UHFFFAOYSA-N 1 2 336.367 3.585 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811492636 1136093671 /nfs/dbraw/zinc/09/36/71/1136093671.db2.gz YAKODDONDVBGAR-UHFFFAOYSA-N 1 2 336.222 3.649 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1Cl ZINC000811512977 1136103140 /nfs/dbraw/zinc/10/31/40/1136103140.db2.gz BRZIXOONCFHTCP-GFCCVEGCSA-N 1 2 333.785 3.857 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1Cl ZINC000811512977 1136103144 /nfs/dbraw/zinc/10/31/44/1136103144.db2.gz BRZIXOONCFHTCP-GFCCVEGCSA-N 1 2 333.785 3.857 20 0 EHADLO CCCOc1ccc(OCC[S@@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000811675251 1136120882 /nfs/dbraw/zinc/12/08/82/1136120882.db2.gz GLPSGZSXXGCBMK-XMMPIXPASA-N 1 2 347.480 3.815 20 0 EHADLO Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2cccc(F)c2)c1 ZINC001202320950 1136129228 /nfs/dbraw/zinc/12/92/28/1136129228.db2.gz NYEQAOQUUCRYPE-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@H]3CC=CCC3)c(=O)cc2C)cc1 ZINC000811764216 1136136900 /nfs/dbraw/zinc/13/69/00/1136136900.db2.gz QDULKLQUYQDTCJ-SFHVURJKSA-N 1 2 337.467 3.773 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CC=CCC3)c(=O)cc2C)cc1 ZINC000811764216 1136136904 /nfs/dbraw/zinc/13/69/04/1136136904.db2.gz QDULKLQUYQDTCJ-SFHVURJKSA-N 1 2 337.467 3.773 20 0 EHADLO Clc1nn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000811790319 1136140992 /nfs/dbraw/zinc/14/09/92/1136140992.db2.gz AVPCXRSZZDNBCM-HOTGVXAUSA-N 1 2 331.847 3.681 20 0 EHADLO Clc1nn(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000811790319 1136140994 /nfs/dbraw/zinc/14/09/94/1136140994.db2.gz AVPCXRSZZDNBCM-HOTGVXAUSA-N 1 2 331.847 3.681 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](CCCC(F)(F)F)C2)c1 ZINC001202441246 1136144532 /nfs/dbraw/zinc/14/45/32/1136144532.db2.gz AGTISHQJXPHCFB-AWEZNQCLSA-N 1 2 349.418 3.612 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](CCCC(F)(F)F)C2)c1 ZINC001202441246 1136144533 /nfs/dbraw/zinc/14/45/33/1136144533.db2.gz AGTISHQJXPHCFB-AWEZNQCLSA-N 1 2 349.418 3.612 20 0 EHADLO Cc1ccccc1CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033161 1136146288 /nfs/dbraw/zinc/14/62/88/1136146288.db2.gz RKHUEBRHALNPQG-FQEVSTJZSA-N 1 2 333.435 3.682 20 0 EHADLO CCC(CC)n1nc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000776313264 1136152194 /nfs/dbraw/zinc/15/21/94/1136152194.db2.gz JUYULRRKFKOCPO-UHFFFAOYSA-N 1 2 344.459 3.503 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000106898346 1136155584 /nfs/dbraw/zinc/15/55/84/1136155584.db2.gz GIMRSHNKXHVFSJ-JTQLQIEISA-N 1 2 338.249 3.980 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000825537292 1136165290 /nfs/dbraw/zinc/16/52/90/1136165290.db2.gz USWCIWJCZAUWTR-SNVBAGLBSA-N 1 2 345.315 3.707 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000825537292 1136165292 /nfs/dbraw/zinc/16/52/92/1136165292.db2.gz USWCIWJCZAUWTR-SNVBAGLBSA-N 1 2 345.315 3.707 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670027 1136187205 /nfs/dbraw/zinc/18/72/05/1136187205.db2.gz PEKCKKXPMCSCIC-MAUKXSAKSA-N 1 2 337.410 3.534 20 0 EHADLO O=C1C[C@H](c2cccc(Cl)c2)CN1C[N@@H+]1CCc2ccccc2C1 ZINC000812278869 1136191240 /nfs/dbraw/zinc/19/12/40/1136191240.db2.gz QCSMKHGVEWLWRT-SFHVURJKSA-N 1 2 340.854 3.672 20 0 EHADLO O=C1C[C@H](c2cccc(Cl)c2)CN1C[N@H+]1CCc2ccccc2C1 ZINC000812278869 1136191241 /nfs/dbraw/zinc/19/12/41/1136191241.db2.gz QCSMKHGVEWLWRT-SFHVURJKSA-N 1 2 340.854 3.672 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccccc1SCc1cscn1 ZINC000747781600 1136191664 /nfs/dbraw/zinc/19/16/64/1136191664.db2.gz NBBITCQGTYDGOF-UHFFFAOYSA-N 1 2 345.449 3.526 20 0 EHADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1c[nH+]cn1C ZINC000747781597 1136191900 /nfs/dbraw/zinc/19/19/00/1136191900.db2.gz MXONDQMOJZWHEV-UHFFFAOYSA-N 1 2 349.749 3.533 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1cncc(C(F)(F)F)c1 ZINC000812304988 1136193526 /nfs/dbraw/zinc/19/35/26/1136193526.db2.gz QACKHHRPBZLECO-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000747782757 1136196041 /nfs/dbraw/zinc/19/60/41/1136196041.db2.gz PMHZRRVIRWWZOC-KBPBESRZSA-N 1 2 325.195 3.574 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cs1 ZINC000850151135 1136214728 /nfs/dbraw/zinc/21/47/28/1136214728.db2.gz SEINSFXFEKDGRL-SECBINFHSA-N 1 2 332.395 3.870 20 0 EHADLO COc1c[nH+]c(NCc2ccc(Br)c(Cl)n2)c(C)c1 ZINC001158847081 1136221826 /nfs/dbraw/zinc/22/18/26/1136221826.db2.gz WWAGCFFDQNHLEN-UHFFFAOYSA-N 1 2 342.624 3.822 20 0 EHADLO Clc1ccc2c(c1Cl)OCC[C@@H]2[NH2+]Cc1cc2n(n1)CCC2 ZINC000850276139 1136229954 /nfs/dbraw/zinc/22/99/54/1136229954.db2.gz XFDMSKFMLHPWCI-AWEZNQCLSA-N 1 2 338.238 3.750 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncnn21 ZINC000850351821 1136239647 /nfs/dbraw/zinc/23/96/47/1136239647.db2.gz IVYFBSQFLMHYCM-PRHODGIISA-N 1 2 330.741 3.746 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCCCNC(=O)OC(C)(C)C)cc2)c1C ZINC000812785012 1136247396 /nfs/dbraw/zinc/24/73/96/1136247396.db2.gz CATLUSLCSQVJAK-UHFFFAOYSA-N 1 2 344.459 3.816 20 0 EHADLO COC(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000812856995 1136255427 /nfs/dbraw/zinc/25/54/27/1136255427.db2.gz FDFMCTLFILMCPQ-UHFFFAOYSA-N 1 2 332.787 3.699 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000850454832 1136262649 /nfs/dbraw/zinc/26/26/49/1136262649.db2.gz OPECFSHWZBJKPG-SJORKVTESA-N 1 2 335.513 3.815 20 0 EHADLO CCOC(=O)NC1CCC(Nc2ccc3c(c2)CCC[N@H+]3C)CC1 ZINC000850457630 1136263052 /nfs/dbraw/zinc/26/30/52/1136263052.db2.gz HZQFZYLIEFXAGN-UHFFFAOYSA-N 1 2 331.460 3.538 20 0 EHADLO CCOC(=O)NC1CCC(Nc2ccc3c(c2)CCC[N@@H+]3C)CC1 ZINC000850457630 1136263056 /nfs/dbraw/zinc/26/30/56/1136263056.db2.gz HZQFZYLIEFXAGN-UHFFFAOYSA-N 1 2 331.460 3.538 20 0 EHADLO CCOC(=O)NC1CCC([NH2+]c2ccc3c(c2)CCCN3C)CC1 ZINC000850457630 1136263059 /nfs/dbraw/zinc/26/30/59/1136263059.db2.gz HZQFZYLIEFXAGN-UHFFFAOYSA-N 1 2 331.460 3.538 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1cscn1 ZINC000850512165 1136274145 /nfs/dbraw/zinc/27/41/45/1136274145.db2.gz XACBGAFNIUXERZ-VHSXEESVSA-N 1 2 346.424 3.551 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747833469 1136280247 /nfs/dbraw/zinc/28/02/47/1136280247.db2.gz WVULBSZGQZSBHM-JKSUJKDBSA-N 1 2 345.468 3.579 20 0 EHADLO S=c1oc(-c2ccccc2)nn1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747833469 1136280248 /nfs/dbraw/zinc/28/02/48/1136280248.db2.gz WVULBSZGQZSBHM-JKSUJKDBSA-N 1 2 345.468 3.579 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H]2CCCC3(CC3)C2)[nH+]1 ZINC000850840444 1136310226 /nfs/dbraw/zinc/31/02/26/1136310226.db2.gz SYRHVDXHXONCBZ-QGZVFWFLSA-N 1 2 331.456 3.853 20 0 EHADLO CC[C@H](C)CONC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000813689364 1136356731 /nfs/dbraw/zinc/35/67/31/1136356731.db2.gz JVNRCFBDIATOLY-KBXCAEBGSA-N 1 2 344.459 3.518 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401272 1136376492 /nfs/dbraw/zinc/37/64/92/1136376492.db2.gz IZFMAVWUNGABKX-AWEZNQCLSA-N 1 2 326.387 3.523 20 0 EHADLO O=C(OC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000851469759 1136382826 /nfs/dbraw/zinc/38/28/26/1136382826.db2.gz WNDBATLEKHTHME-FXAWDEMLSA-N 1 2 349.430 3.564 20 0 EHADLO O=C(OC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000851469759 1136382830 /nfs/dbraw/zinc/38/28/30/1136382830.db2.gz WNDBATLEKHTHME-FXAWDEMLSA-N 1 2 349.430 3.564 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000173205492 1136384507 /nfs/dbraw/zinc/38/45/07/1136384507.db2.gz CIEBQJHRUAGBJJ-ZIAGYGMSSA-N 1 2 325.416 3.791 20 0 EHADLO CCCCOc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OCC ZINC000814181124 1136411961 /nfs/dbraw/zinc/41/19/61/1136411961.db2.gz VYEQBNKTQPVCSY-INIZCTEOSA-N 1 2 349.471 3.790 20 0 EHADLO CCCCOc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OCC ZINC000814181124 1136411964 /nfs/dbraw/zinc/41/19/64/1136411964.db2.gz VYEQBNKTQPVCSY-INIZCTEOSA-N 1 2 349.471 3.790 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cnon2)ccc1OCc1ccccc1 ZINC000851897253 1136417208 /nfs/dbraw/zinc/41/72/08/1136417208.db2.gz NKHJXYCWLYBTAH-CQSZACIVSA-N 1 2 339.395 3.508 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCc1nsc3ccccc31)[C@H]2C ZINC000851971700 1136424220 /nfs/dbraw/zinc/42/42/20/1136424220.db2.gz RRRONKVUNMTFHJ-ZDUSSCGKSA-N 1 2 341.484 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCc1nsc3ccccc31)[C@H]2C ZINC000851971700 1136424222 /nfs/dbraw/zinc/42/42/22/1136424222.db2.gz RRRONKVUNMTFHJ-ZDUSSCGKSA-N 1 2 341.484 3.631 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226124 1136425310 /nfs/dbraw/zinc/42/53/10/1136425310.db2.gz PETXTEIMFHOWHH-FQEVSTJZSA-N 1 2 345.446 3.747 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226124 1136425314 /nfs/dbraw/zinc/42/53/14/1136425314.db2.gz PETXTEIMFHOWHH-FQEVSTJZSA-N 1 2 345.446 3.747 20 0 EHADLO CCOC(C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OCC ZINC000852127450 1136435333 /nfs/dbraw/zinc/43/53/33/1136435333.db2.gz SILRBTHZUAZWQP-NSHDSACASA-N 1 2 325.840 3.608 20 0 EHADLO CCOC(C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)OCC ZINC000852127450 1136435335 /nfs/dbraw/zinc/43/53/35/1136435335.db2.gz SILRBTHZUAZWQP-NSHDSACASA-N 1 2 325.840 3.608 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000338942105 1136438431 /nfs/dbraw/zinc/43/84/31/1136438431.db2.gz PNKGXNWZEXICME-MRXNPFEDSA-N 1 2 347.484 3.544 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000338942105 1136438433 /nfs/dbraw/zinc/43/84/33/1136438433.db2.gz PNKGXNWZEXICME-MRXNPFEDSA-N 1 2 347.484 3.544 20 0 EHADLO CC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cc(F)ccc1F ZINC000265954801 1136463783 /nfs/dbraw/zinc/46/37/83/1136463783.db2.gz OQYCOEYKJPSORW-INIZCTEOSA-N 1 2 348.397 3.728 20 0 EHADLO C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000852681145 1136477413 /nfs/dbraw/zinc/47/74/13/1136477413.db2.gz LVHOTISCHAFVTB-NVXWUHKLSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)[C@H]([NH2+]CC(F)(F)C(F)F)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730380 1136481292 /nfs/dbraw/zinc/48/12/92/1136481292.db2.gz DTNPLIWXZWFKJF-RYUDHWBXSA-N 1 2 327.749 3.888 20 0 EHADLO CCOC(=O)c1csc(C[NH+]2CCC(c3ccc(F)cc3)CC2)n1 ZINC000814625956 1136482255 /nfs/dbraw/zinc/48/22/55/1136482255.db2.gz KYNFQDCEUJYTPH-UHFFFAOYSA-N 1 2 348.443 3.839 20 0 EHADLO CCC(=O)N(CC)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001138005547 1136500693 /nfs/dbraw/zinc/50/06/93/1136500693.db2.gz IRQRVONZZIIADJ-UHFFFAOYSA-N 1 2 344.833 3.841 20 0 EHADLO O[C@@H](C[N@@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067158 1136505370 /nfs/dbraw/zinc/50/53/70/1136505370.db2.gz PUXMXYOKSOENPB-WMZOPIPTSA-N 1 2 330.378 3.620 20 0 EHADLO O[C@@H](C[N@H+]1CC2(CCC2)[C@@H]1c1ccncc1)c1c(F)cccc1F ZINC000853067158 1136505374 /nfs/dbraw/zinc/50/53/74/1136505374.db2.gz PUXMXYOKSOENPB-WMZOPIPTSA-N 1 2 330.378 3.620 20 0 EHADLO Clc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000111110123 1136511963 /nfs/dbraw/zinc/51/19/63/1136511963.db2.gz USNITLVPCIGNPZ-HNNXBMFYSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000111110123 1136511965 /nfs/dbraw/zinc/51/19/65/1136511965.db2.gz USNITLVPCIGNPZ-HNNXBMFYSA-N 1 2 348.830 3.722 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000338955565 1136516468 /nfs/dbraw/zinc/51/64/68/1136516468.db2.gz FXKAGEUKFQORCT-CQSZACIVSA-N 1 2 348.270 3.629 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000338955565 1136516469 /nfs/dbraw/zinc/51/64/69/1136516469.db2.gz FXKAGEUKFQORCT-CQSZACIVSA-N 1 2 348.270 3.629 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc(=O)c2O)no1 ZINC000853489801 1136536917 /nfs/dbraw/zinc/53/69/17/1136536917.db2.gz IGVKKFOGDPLFQK-KRWDZBQOSA-N 1 2 328.412 3.509 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(C)C)cc(=O)c2O)no1 ZINC000853489801 1136536920 /nfs/dbraw/zinc/53/69/20/1136536920.db2.gz IGVKKFOGDPLFQK-KRWDZBQOSA-N 1 2 328.412 3.509 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853554008 1136544071 /nfs/dbraw/zinc/54/40/71/1136544071.db2.gz JFOLQEMWCDAGQF-LBPRGKRZSA-N 1 2 334.407 3.788 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853554008 1136544073 /nfs/dbraw/zinc/54/40/73/1136544073.db2.gz JFOLQEMWCDAGQF-LBPRGKRZSA-N 1 2 334.407 3.788 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815092933 1136545489 /nfs/dbraw/zinc/54/54/89/1136545489.db2.gz WDOBUBFKEVCXJI-OAHLLOKOSA-N 1 2 333.428 3.520 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815092933 1136545491 /nfs/dbraw/zinc/54/54/91/1136545491.db2.gz WDOBUBFKEVCXJI-OAHLLOKOSA-N 1 2 333.428 3.520 20 0 EHADLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccnc(Br)c1 ZINC000815073548 1136546986 /nfs/dbraw/zinc/54/69/86/1136546986.db2.gz PNNIFJKCKPDXIW-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccnc(Br)c1 ZINC000815073548 1136546989 /nfs/dbraw/zinc/54/69/89/1136546989.db2.gz PNNIFJKCKPDXIW-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815074767 1136547403 /nfs/dbraw/zinc/54/74/03/1136547403.db2.gz DGNCLYPKOSMABW-GOSISDBHSA-N 1 2 347.418 3.988 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815074767 1136547406 /nfs/dbraw/zinc/54/74/06/1136547406.db2.gz DGNCLYPKOSMABW-GOSISDBHSA-N 1 2 347.418 3.988 20 0 EHADLO CCCCCC[C@H](CC)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000747992782 1136547834 /nfs/dbraw/zinc/54/78/34/1136547834.db2.gz WXLGUIFISVJDKP-RBUKOAKNSA-N 1 2 338.536 3.696 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnn(C)c2Cl)c2ccccc2)cc1 ZINC000815113710 1136550890 /nfs/dbraw/zinc/55/08/90/1136550890.db2.gz HTFHEVLJXIKRLQ-SFHVURJKSA-N 1 2 341.842 3.961 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000853636488 1136551746 /nfs/dbraw/zinc/55/17/46/1136551746.db2.gz DFKTVKANMTWPCO-OAQYLSRUSA-N 1 2 331.419 3.791 20 0 EHADLO Cn1ncc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)c1Cl ZINC000815119991 1136552207 /nfs/dbraw/zinc/55/22/07/1136552207.db2.gz LIHDSFHRRBRLCL-UHFFFAOYSA-N 1 2 327.240 3.626 20 0 EHADLO Cn1ncc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1Cl ZINC000815130674 1136555285 /nfs/dbraw/zinc/55/52/85/1136555285.db2.gz DVFJREPEUXHUEU-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1OCc1ccc[nH+]c1N ZINC000853681475 1136555356 /nfs/dbraw/zinc/55/53/56/1136555356.db2.gz DREOGTPLNWUPMY-UHFFFAOYSA-N 1 2 329.400 3.898 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000815187247 1136563889 /nfs/dbraw/zinc/56/38/89/1136563889.db2.gz QPVRRZGZNDYWIV-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc(F)cc1Cl ZINC000815167648 1136565553 /nfs/dbraw/zinc/56/55/53/1136565553.db2.gz BVDILMRCUBFPKK-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc(F)cc1Cl ZINC000815167648 1136565554 /nfs/dbraw/zinc/56/55/54/1136565554.db2.gz BVDILMRCUBFPKK-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[C@@](O)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Cl)cc1 ZINC000815167229 1136565689 /nfs/dbraw/zinc/56/56/89/1136565689.db2.gz VLKUZJFIWZOZHM-SFHVURJKSA-N 1 2 341.798 3.576 20 0 EHADLO FC1(F)CC12CC(c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)C2 ZINC000854032459 1136581650 /nfs/dbraw/zinc/58/16/50/1136581650.db2.gz VPWXVGBLRCHGLS-UHFFFAOYSA-N 1 2 328.322 3.825 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nn(C)cc1Br ZINC001170784676 1136593305 /nfs/dbraw/zinc/59/33/05/1136593305.db2.gz VVAACCWPPJGEPO-VXGBXAGGSA-N 1 2 328.298 3.829 20 0 EHADLO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1nn(C)cc1Br ZINC001170784676 1136593308 /nfs/dbraw/zinc/59/33/08/1136593308.db2.gz VVAACCWPPJGEPO-VXGBXAGGSA-N 1 2 328.298 3.829 20 0 EHADLO CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc2[nH+]ccn21 ZINC000776746525 1136621614 /nfs/dbraw/zinc/62/16/14/1136621614.db2.gz OYSDLMCGVNXHLU-UHFFFAOYSA-N 1 2 334.206 3.913 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001135241129 1136642207 /nfs/dbraw/zinc/64/22/07/1136642207.db2.gz RVSZNWSLQCJZFB-KBPBESRZSA-N 1 2 347.409 3.565 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000265973472 1136664895 /nfs/dbraw/zinc/66/48/95/1136664895.db2.gz UXFNXAPOBNOOSJ-OAHLLOKOSA-N 1 2 342.443 3.553 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cn1nc(C2CC2)n(C)c1=S ZINC000113246667 1136688629 /nfs/dbraw/zinc/68/86/29/1136688629.db2.gz FZXCDSVCZZKAII-UHFFFAOYSA-N 1 2 348.491 3.880 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cn1nc(C2CC2)n(C)c1=S ZINC000113246667 1136688631 /nfs/dbraw/zinc/68/86/31/1136688631.db2.gz FZXCDSVCZZKAII-UHFFFAOYSA-N 1 2 348.491 3.880 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)[nH+]c12 ZINC000855555006 1136706619 /nfs/dbraw/zinc/70/66/19/1136706619.db2.gz OKEYTWJSKMKPOV-LJQANCHMSA-N 1 2 349.434 3.584 20 0 EHADLO CCc1occc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816397754 1136709971 /nfs/dbraw/zinc/70/99/71/1136709971.db2.gz QBOKBXXKKDQTAJ-CQSZACIVSA-N 1 2 341.455 3.900 20 0 EHADLO CCc1occc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816397754 1136709973 /nfs/dbraw/zinc/70/99/73/1136709973.db2.gz QBOKBXXKKDQTAJ-CQSZACIVSA-N 1 2 341.455 3.900 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137654397 1136713464 /nfs/dbraw/zinc/71/34/64/1136713464.db2.gz OWSAYEZLRBUWHN-ABAIWWIYSA-N 1 2 342.842 3.824 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137654397 1136713468 /nfs/dbraw/zinc/71/34/68/1136713468.db2.gz OWSAYEZLRBUWHN-ABAIWWIYSA-N 1 2 342.842 3.824 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000816833448 1136755632 /nfs/dbraw/zinc/75/56/32/1136755632.db2.gz JCTRQYSFTVJAFJ-UHFFFAOYSA-N 1 2 348.431 3.791 20 0 EHADLO Cc1ccc(O)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000816835496 1136755723 /nfs/dbraw/zinc/75/57/23/1136755723.db2.gz IQOLYNYJUYXXCW-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(O)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000816835496 1136755727 /nfs/dbraw/zinc/75/57/27/1136755727.db2.gz IQOLYNYJUYXXCW-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000856274616 1136772032 /nfs/dbraw/zinc/77/20/32/1136772032.db2.gz KWBMVCHVXWRVHW-OAQYLSRUSA-N 1 2 333.435 3.729 20 0 EHADLO CC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1OC ZINC000817160671 1136782912 /nfs/dbraw/zinc/78/29/12/1136782912.db2.gz ZXSFARZSULGFND-KRWDZBQOSA-N 1 2 327.428 3.658 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)nc1 ZINC000338995616 1136787541 /nfs/dbraw/zinc/78/75/41/1136787541.db2.gz NKKIZCFYJVUOND-SFHVURJKSA-N 1 2 343.858 3.535 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)nc1 ZINC000338995616 1136787543 /nfs/dbraw/zinc/78/75/43/1136787543.db2.gz NKKIZCFYJVUOND-SFHVURJKSA-N 1 2 343.858 3.535 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)C1CCCCC1)Cc1cccs1 ZINC000856721812 1136802962 /nfs/dbraw/zinc/80/29/62/1136802962.db2.gz IPLRCPBESCTGLY-UHFFFAOYSA-N 1 2 329.531 3.706 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)C1CCCCC1)Cc1cccs1 ZINC000856721812 1136802966 /nfs/dbraw/zinc/80/29/66/1136802966.db2.gz IPLRCPBESCTGLY-UHFFFAOYSA-N 1 2 329.531 3.706 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1cn(-c3ccccc3)nc1C)C2 ZINC000338998428 1136803838 /nfs/dbraw/zinc/80/38/38/1136803838.db2.gz LZBOMCDUPBQSGY-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1cn(-c3ccccc3)nc1C)C2 ZINC000338998428 1136803841 /nfs/dbraw/zinc/80/38/41/1136803841.db2.gz LZBOMCDUPBQSGY-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)[C@H](c2ccco2)C1 ZINC000856727455 1136804048 /nfs/dbraw/zinc/80/40/48/1136804048.db2.gz NJURBFDNOFEDHB-WBVHZDCISA-N 1 2 339.501 3.800 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)[C@H](c2ccco2)C1 ZINC000856727455 1136804050 /nfs/dbraw/zinc/80/40/50/1136804050.db2.gz NJURBFDNOFEDHB-WBVHZDCISA-N 1 2 339.501 3.800 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406005 1136804849 /nfs/dbraw/zinc/80/48/49/1136804849.db2.gz HQFWQZBUGIBERW-RTBURBONSA-N 1 2 343.492 3.950 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406005 1136804852 /nfs/dbraw/zinc/80/48/52/1136804852.db2.gz HQFWQZBUGIBERW-RTBURBONSA-N 1 2 343.492 3.950 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2Cl)ncn1 ZINC000856776815 1136810253 /nfs/dbraw/zinc/81/02/53/1136810253.db2.gz JALXOBPNFSUJOK-SECBINFHSA-N 1 2 330.741 3.703 20 0 EHADLO c1cnc2c(c1)CC[C@@H]([NH2+]c1ccc(N3CCSCC3)cc1)CC2 ZINC000817587019 1136826295 /nfs/dbraw/zinc/82/62/95/1136826295.db2.gz UYYUQUVYLCZFQW-QGZVFWFLSA-N 1 2 339.508 3.994 20 0 EHADLO OCC[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccccc1Br ZINC000782088409 1136908945 /nfs/dbraw/zinc/90/89/45/1136908945.db2.gz KNLQOUYYTQNHSD-ZVTBTPLYSA-N 1 2 339.060 3.781 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(c3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000817785929 1136840012 /nfs/dbraw/zinc/84/00/12/1136840012.db2.gz PMGKDOXWWSBFCB-UHFFFAOYSA-N 1 2 341.430 3.927 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cscc2C(F)(F)F)c1C ZINC000857092114 1136844115 /nfs/dbraw/zinc/84/41/15/1136844115.db2.gz INOIZNXJZIZRTB-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C(\C)c1cccs1 ZINC000857192246 1136851855 /nfs/dbraw/zinc/85/18/55/1136851855.db2.gz FRKFZQIGUIWESG-CCEZHUSRSA-N 1 2 331.485 3.849 20 0 EHADLO Cc1nc2c(o1)CC[N@@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170890553 1136863882 /nfs/dbraw/zinc/86/38/82/1136863882.db2.gz VJEKNXYGJXLHDV-HNNXBMFYSA-N 1 2 347.256 3.661 20 0 EHADLO Cc1nc2c(o1)CC[N@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170890553 1136863884 /nfs/dbraw/zinc/86/38/84/1136863884.db2.gz VJEKNXYGJXLHDV-HNNXBMFYSA-N 1 2 347.256 3.661 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230644 1136868063 /nfs/dbraw/zinc/86/80/63/1136868063.db2.gz QVIWHSCGYWJQTB-IEBWSBKVSA-N 1 2 333.378 3.844 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCSc2ccccc21 ZINC001136140023 1136877350 /nfs/dbraw/zinc/87/73/50/1136877350.db2.gz DYXJLVVPYQSRJB-UHFFFAOYSA-N 1 2 349.459 3.944 20 0 EHADLO CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1cccc(C)c1 ZINC001136169916 1136893390 /nfs/dbraw/zinc/89/33/90/1136893390.db2.gz GNDYSNYAGYHPRK-UHFFFAOYSA-N 1 2 348.450 3.970 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858010912 1136929388 /nfs/dbraw/zinc/92/93/88/1136929388.db2.gz ODQODJIIRGPIJN-KRWDZBQOSA-N 1 2 348.450 3.879 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858010912 1136929389 /nfs/dbraw/zinc/92/93/89/1136929389.db2.gz ODQODJIIRGPIJN-KRWDZBQOSA-N 1 2 348.450 3.879 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000858014215 1136930626 /nfs/dbraw/zinc/93/06/26/1136930626.db2.gz MFVDYOUIDFZNSL-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000858014215 1136930627 /nfs/dbraw/zinc/93/06/27/1136930627.db2.gz MFVDYOUIDFZNSL-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037942 1136934525 /nfs/dbraw/zinc/93/45/25/1136934525.db2.gz XTDGIVHWDBQICN-HUUCEWRRSA-N 1 2 329.444 3.890 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)nc1 ZINC000858037942 1136934528 /nfs/dbraw/zinc/93/45/28/1136934528.db2.gz XTDGIVHWDBQICN-HUUCEWRRSA-N 1 2 329.444 3.890 20 0 EHADLO C/C=C/C[C@@H]1CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000858166732 1136945980 /nfs/dbraw/zinc/94/59/80/1136945980.db2.gz YXXWQJMLZJLCDE-SQRWCISFSA-N 1 2 331.460 3.595 20 0 EHADLO CCCc1nc(C)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000777014679 1136954693 /nfs/dbraw/zinc/95/46/93/1136954693.db2.gz SJVWEBADDGOLAS-ZDUSSCGKSA-N 1 2 349.504 3.837 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC001136302021 1136975877 /nfs/dbraw/zinc/97/58/77/1136975877.db2.gz VGATZCJMJRDRQT-HNNXBMFYSA-N 1 2 347.459 3.684 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC001136302021 1136975879 /nfs/dbraw/zinc/97/58/79/1136975879.db2.gz VGATZCJMJRDRQT-HNNXBMFYSA-N 1 2 347.459 3.684 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)CC2 ZINC001170945305 1136985656 /nfs/dbraw/zinc/98/56/56/1136985656.db2.gz VMBBGQUFKRAVQL-QFBILLFUSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@H+]1CCOC[C@@H]1c1cccnc1)CC2 ZINC001170945305 1136985657 /nfs/dbraw/zinc/98/56/57/1136985657.db2.gz VMBBGQUFKRAVQL-QFBILLFUSA-N 1 2 328.843 3.666 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccsc2C(F)(F)F)c1C ZINC000858926875 1136997140 /nfs/dbraw/zinc/99/71/40/1136997140.db2.gz KUUSLAOVDYZXBL-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1C ZINC000858927226 1136997311 /nfs/dbraw/zinc/99/73/11/1136997311.db2.gz MZKDQBLMBCXHKU-UHFFFAOYSA-N 1 2 339.439 3.720 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1C ZINC000858928468 1136997399 /nfs/dbraw/zinc/99/73/99/1136997399.db2.gz WKUKGNNYNVQVAW-IAGOWNOFSA-N 1 2 342.414 3.656 20 0 EHADLO Clc1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc(Cl)n1 ZINC000805753804 1137001583 /nfs/dbraw/zinc/00/15/83/1137001583.db2.gz SKAUQIJMZZZTTD-AWEZNQCLSA-N 1 2 338.238 3.575 20 0 EHADLO Clc1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc(Cl)n1 ZINC000805753804 1137001585 /nfs/dbraw/zinc/00/15/85/1137001585.db2.gz SKAUQIJMZZZTTD-AWEZNQCLSA-N 1 2 338.238 3.575 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859111816 1137003676 /nfs/dbraw/zinc/00/36/76/1137003676.db2.gz ADGGSOVQUWDIKT-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000859111816 1137003677 /nfs/dbraw/zinc/00/36/77/1137003677.db2.gz ADGGSOVQUWDIKT-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO Cn1nc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1Cl ZINC000859120000 1137004051 /nfs/dbraw/zinc/00/40/51/1137004051.db2.gz IXWIPMFNNGQAFZ-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C=O)ccc3F)c2C1 ZINC000859139096 1137004620 /nfs/dbraw/zinc/00/46/20/1137004620.db2.gz QFVQDZMXTAKVLY-UHFFFAOYSA-N 1 2 326.371 3.616 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C=O)ccc3F)c2C1 ZINC000859139096 1137004621 /nfs/dbraw/zinc/00/46/21/1137004621.db2.gz QFVQDZMXTAKVLY-UHFFFAOYSA-N 1 2 326.371 3.616 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)c1 ZINC000820841174 1137008115 /nfs/dbraw/zinc/00/81/15/1137008115.db2.gz ILKPUIWWXHWPFR-QGZVFWFLSA-N 1 2 344.798 3.699 20 0 EHADLO O=C(/C=C\C=C(Cl)Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001136388520 1137009481 /nfs/dbraw/zinc/00/94/81/1137009481.db2.gz VALNSWAYAQBJBC-IWQZZHSRSA-N 1 2 340.185 3.503 20 0 EHADLO C[N@H+](CCc1ccncc1)Cc1nc(Cl)ccc1Br ZINC000820880401 1137009926 /nfs/dbraw/zinc/00/99/26/1137009926.db2.gz FYMZGUOHSNKBLD-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[N@@H+](CCc1ccncc1)Cc1nc(Cl)ccc1Br ZINC000820880401 1137009928 /nfs/dbraw/zinc/00/99/28/1137009928.db2.gz FYMZGUOHSNKBLD-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO CC(C)(C)Cc1ncc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC001136394124 1137010917 /nfs/dbraw/zinc/01/09/17/1137010917.db2.gz GLAIGFYXTFVZTI-CQSZACIVSA-N 1 2 348.516 3.773 20 0 EHADLO CC(C)N(CCc1ccccc1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001136436946 1137024177 /nfs/dbraw/zinc/02/41/77/1137024177.db2.gz QCHJNARPQGLQCP-UHFFFAOYSA-N 1 2 347.462 3.895 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001202502110 1137036364 /nfs/dbraw/zinc/03/63/64/1137036364.db2.gz BNOYLMBXIXVBGV-INIZCTEOSA-N 1 2 334.423 3.775 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1cc(-c2ccccc2)on1)NC(=O)OC(C)(C)C ZINC000860097930 1137043930 /nfs/dbraw/zinc/04/39/30/1137043930.db2.gz UIYQLESIGQLGCR-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1cc(-c2ccccc2)on1)NC(=O)OC(C)(C)C ZINC000860097930 1137043931 /nfs/dbraw/zinc/04/39/31/1137043931.db2.gz UIYQLESIGQLGCR-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO O[C@H](C[N@@H+]1CCOc2cc(F)ccc2C1)c1ccc(Cl)c(F)c1 ZINC000860172651 1137047893 /nfs/dbraw/zinc/04/78/93/1137047893.db2.gz IHJWQQZXAADFDM-MRXNPFEDSA-N 1 2 339.769 3.546 20 0 EHADLO O[C@H](C[N@H+]1CCOc2cc(F)ccc2C1)c1ccc(Cl)c(F)c1 ZINC000860172651 1137047894 /nfs/dbraw/zinc/04/78/94/1137047894.db2.gz IHJWQQZXAADFDM-MRXNPFEDSA-N 1 2 339.769 3.546 20 0 EHADLO O=C(/C=C/c1csc(C(F)(F)F)c1)OCCCn1cc[nH+]c1 ZINC000860262101 1137052390 /nfs/dbraw/zinc/05/23/90/1137052390.db2.gz RYUBYJRJHGBEQM-NSCUHMNNSA-N 1 2 330.331 3.610 20 0 EHADLO Cc1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1-n1cc[nH+]c1 ZINC001136624171 1137072544 /nfs/dbraw/zinc/07/25/44/1137072544.db2.gz LLEZGWYSPXVFLB-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO Cc1cc(NC(=O)CCC(=O)c2cccs2)ccc1-n1cc[nH+]c1 ZINC001136624132 1137072578 /nfs/dbraw/zinc/07/25/78/1137072578.db2.gz KCEACNNXNKIBBG-UHFFFAOYSA-N 1 2 339.420 3.844 20 0 EHADLO c1nc(-c2ccccc2)nn1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000117862768 1137085175 /nfs/dbraw/zinc/08/51/75/1137085175.db2.gz DQUSYZHMZJFIKF-HXUWFJFHSA-N 1 2 348.450 3.584 20 0 EHADLO c1nc(-c2ccccc2)nn1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000117862768 1137085176 /nfs/dbraw/zinc/08/51/76/1137085176.db2.gz DQUSYZHMZJFIKF-HXUWFJFHSA-N 1 2 348.450 3.584 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000823386811 1137097562 /nfs/dbraw/zinc/09/75/62/1137097562.db2.gz OIRMZSZJDFVGEV-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000823386811 1137097564 /nfs/dbraw/zinc/09/75/64/1137097564.db2.gz OIRMZSZJDFVGEV-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000861348031 1137102438 /nfs/dbraw/zinc/10/24/38/1137102438.db2.gz MUWYKPJAOTWJPX-KRWDZBQOSA-N 1 2 329.488 3.733 20 0 EHADLO Oc1ccc2c(c1)C[C@@H](Nc1cccc(Cc3ccncc3)[nH+]1)CC2 ZINC001171030830 1137113214 /nfs/dbraw/zinc/11/32/14/1137113214.db2.gz ZIGLYQNKAQVQKH-IBGZPJMESA-N 1 2 331.419 3.742 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)cc2Oc2ccccc2)n1 ZINC000824018747 1137123063 /nfs/dbraw/zinc/12/30/63/1137123063.db2.gz WDHUMXAQBDDJGN-UHFFFAOYSA-N 1 2 336.439 3.997 20 0 EHADLO Cc1c(F)nccc1C[N@H+](C)Cc1csc(Br)c1 ZINC000862229678 1137133499 /nfs/dbraw/zinc/13/34/99/1137133499.db2.gz INQISFAMYJMKRT-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1c(F)nccc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000862229678 1137133500 /nfs/dbraw/zinc/13/35/00/1137133500.db2.gz INQISFAMYJMKRT-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO CCn1c[nH+]cc1CN1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000862551159 1137149719 /nfs/dbraw/zinc/14/97/19/1137149719.db2.gz PGJUZQYGVPWILT-UHFFFAOYSA-N 1 2 342.443 3.571 20 0 EHADLO FC(F)COc1ccc(C[NH+]2CC(OCc3ccccc3)C2)cc1 ZINC001136939870 1137151471 /nfs/dbraw/zinc/15/14/71/1137151471.db2.gz ZSSFBHXRVZFIBT-UHFFFAOYSA-N 1 2 333.378 3.732 20 0 EHADLO Cn1c2ccccc2n(C[N@H+](C)Cc2ccc3ccccc3c2)c1=O ZINC000014211839 1137153799 /nfs/dbraw/zinc/15/37/99/1137153799.db2.gz DFPUDHMASFXSQN-UHFFFAOYSA-N 1 2 331.419 3.583 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+](C)Cc2ccc3ccccc3c2)c1=O ZINC000014211839 1137153801 /nfs/dbraw/zinc/15/38/01/1137153801.db2.gz DFPUDHMASFXSQN-UHFFFAOYSA-N 1 2 331.419 3.583 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000825005856 1137160138 /nfs/dbraw/zinc/16/01/38/1137160138.db2.gz UEIISWULTHNZDT-CYBMUJFWSA-N 1 2 343.862 3.808 20 0 EHADLO Cc1ccc2c(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c2c1 ZINC001136977106 1137162037 /nfs/dbraw/zinc/16/20/37/1137162037.db2.gz UESCJLGYHLYRQA-SFHVURJKSA-N 1 2 333.426 3.782 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@@H]3C[C@H](C)n4ccnc43)c(Cl)nc21 ZINC000825016917 1137162060 /nfs/dbraw/zinc/16/20/60/1137162060.db2.gz JGIYDOHOLKFXDL-SMDDNHRTSA-N 1 2 344.850 3.658 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045441 1137163001 /nfs/dbraw/zinc/16/30/01/1137163001.db2.gz DOJFYAUFCCDRPY-NSHDSACASA-N 1 2 329.753 3.576 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3c2O[C@@H](C)C3)n1 ZINC000825390065 1137174371 /nfs/dbraw/zinc/17/43/71/1137174371.db2.gz YHVGGYVGFGHKLH-LBPRGKRZSA-N 1 2 345.468 3.561 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341511 1137181827 /nfs/dbraw/zinc/18/18/27/1137181827.db2.gz RSJMHLFLHRNCAO-SQRWCISFSA-N 1 2 345.516 3.821 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341511 1137181830 /nfs/dbraw/zinc/18/18/30/1137181830.db2.gz RSJMHLFLHRNCAO-SQRWCISFSA-N 1 2 345.516 3.821 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1Cl ZINC001143371226 1137183563 /nfs/dbraw/zinc/18/35/63/1137183563.db2.gz JYJHMHMNCJBMGV-NSHDSACASA-N 1 2 343.826 3.651 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1Cl ZINC001143371226 1137183564 /nfs/dbraw/zinc/18/35/64/1137183564.db2.gz JYJHMHMNCJBMGV-NSHDSACASA-N 1 2 343.826 3.651 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001143641123 1137185399 /nfs/dbraw/zinc/18/53/99/1137185399.db2.gz GKQAJQPUVJWOPT-MPGHIAIKSA-N 1 2 332.492 3.511 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001143641123 1137185400 /nfs/dbraw/zinc/18/54/00/1137185400.db2.gz GKQAJQPUVJWOPT-MPGHIAIKSA-N 1 2 332.492 3.511 20 0 EHADLO Cc1c[nH]c(CCNC(=O)CC(c2ccccc2)c2ccccc2)[nH+]1 ZINC001143702243 1137192206 /nfs/dbraw/zinc/19/22/06/1137192206.db2.gz IGTXIFOQKHGPSL-UHFFFAOYSA-N 1 2 333.435 3.599 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cc(Cl)ccc2OC(F)(F)F)cn1 ZINC001143706721 1137192484 /nfs/dbraw/zinc/19/24/84/1137192484.db2.gz KTOONZFABSZMDH-UHFFFAOYSA-N 1 2 345.752 3.969 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cc(Cl)ccc2OC(F)(F)F)cn1 ZINC001143706721 1137192486 /nfs/dbraw/zinc/19/24/86/1137192486.db2.gz KTOONZFABSZMDH-UHFFFAOYSA-N 1 2 345.752 3.969 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2cc(F)c(OCC)c(Cl)c2)CC1 ZINC001143739357 1137194880 /nfs/dbraw/zinc/19/48/80/1137194880.db2.gz SBCDQTYSAINKHI-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO c1cn(Cc2cccc(-c3ccc(NCC4CCOCC4)nc3)c2)c[nH+]1 ZINC000863689894 1137199569 /nfs/dbraw/zinc/19/95/69/1137199569.db2.gz IDUUUZPRXWCLSA-UHFFFAOYSA-N 1 2 348.450 3.832 20 0 EHADLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@@H]21 ZINC001143867719 1137206904 /nfs/dbraw/zinc/20/69/04/1137206904.db2.gz HVCYXVAZWSKOHT-HZMBPMFUSA-N 1 2 345.245 3.575 20 0 EHADLO CN1C(=O)CC[C@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@@H]21 ZINC001143867719 1137206906 /nfs/dbraw/zinc/20/69/06/1137206906.db2.gz HVCYXVAZWSKOHT-HZMBPMFUSA-N 1 2 345.245 3.575 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000844301578 1137210259 /nfs/dbraw/zinc/21/02/59/1137210259.db2.gz YFCXAEUHRMAQDP-VXGBXAGGSA-N 1 2 348.353 3.883 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1F ZINC001143899376 1137211123 /nfs/dbraw/zinc/21/11/23/1137211123.db2.gz OGRYUIDEITZXFT-LBPRGKRZSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1F ZINC001143899376 1137211125 /nfs/dbraw/zinc/21/11/25/1137211125.db2.gz OGRYUIDEITZXFT-LBPRGKRZSA-N 1 2 336.794 3.536 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1=S ZINC000119832979 1137213773 /nfs/dbraw/zinc/21/37/73/1137213773.db2.gz PIMINKFTIYXGPO-WFASDCNBSA-N 1 2 334.464 3.717 20 0 EHADLO CCn1c(C)nn(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1=S ZINC000119832979 1137213774 /nfs/dbraw/zinc/21/37/74/1137213774.db2.gz PIMINKFTIYXGPO-WFASDCNBSA-N 1 2 334.464 3.717 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001143910077 1137213908 /nfs/dbraw/zinc/21/39/08/1137213908.db2.gz AVAWUQNUQKZVIF-CYBMUJFWSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(F)c1F ZINC001143910077 1137213909 /nfs/dbraw/zinc/21/39/09/1137213909.db2.gz AVAWUQNUQKZVIF-CYBMUJFWSA-N 1 2 341.398 3.527 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cc3ccccc3c(Cl)n2)o1 ZINC000794583527 1137214740 /nfs/dbraw/zinc/21/47/40/1137214740.db2.gz UFWVUITWAKLANP-UHFFFAOYSA-N 1 2 330.815 3.784 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cc3ccccc3c(Cl)n2)o1 ZINC000794583527 1137214742 /nfs/dbraw/zinc/21/47/42/1137214742.db2.gz UFWVUITWAKLANP-UHFFFAOYSA-N 1 2 330.815 3.784 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001143937361 1137216104 /nfs/dbraw/zinc/21/61/04/1137216104.db2.gz KWJVKRCUMHTDOK-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001143937361 1137216105 /nfs/dbraw/zinc/21/61/05/1137216105.db2.gz KWJVKRCUMHTDOK-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO Cc1cc(NC(=O)[C@@](C)(O)CCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001143939255 1137216464 /nfs/dbraw/zinc/21/64/64/1137216464.db2.gz BEGOWOYULXEJIG-NRFANRHFSA-N 1 2 349.434 3.503 20 0 EHADLO C[C@H](CC(=O)OCc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000844392473 1137216565 /nfs/dbraw/zinc/21/65/65/1137216565.db2.gz IZDXILBFTCUYGA-SNVBAGLBSA-N 1 2 344.745 3.832 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C)n1cc[nH+]c1 ZINC000844418436 1137219299 /nfs/dbraw/zinc/21/92/99/1137219299.db2.gz USYFCOIEVIOOPD-NEPJUHHUSA-N 1 2 346.818 3.679 20 0 EHADLO CCCC(C)(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000844408037 1137220338 /nfs/dbraw/zinc/22/03/38/1137220338.db2.gz BVXBGKPYLSTXDU-UHFFFAOYSA-N 1 2 331.504 3.664 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000794653952 1137223969 /nfs/dbraw/zinc/22/39/69/1137223969.db2.gz DKYYCWGFBLESIO-UHFFFAOYSA-N 1 2 332.400 3.545 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000794653952 1137223970 /nfs/dbraw/zinc/22/39/70/1137223970.db2.gz DKYYCWGFBLESIO-UHFFFAOYSA-N 1 2 332.400 3.545 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440910 1137224054 /nfs/dbraw/zinc/22/40/54/1137224054.db2.gz WKTQRZKYQZMZQB-XHDPSFHLSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440910 1137224055 /nfs/dbraw/zinc/22/40/55/1137224055.db2.gz WKTQRZKYQZMZQB-XHDPSFHLSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ccccc1Br)n1cc[nH+]c1 ZINC000844479741 1137225074 /nfs/dbraw/zinc/22/50/74/1137225074.db2.gz QVMWCWHVBJZVTJ-NEPJUHHUSA-N 1 2 337.217 3.901 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CC2CCC2)nc1-c1cccnc1 ZINC000794683738 1137226034 /nfs/dbraw/zinc/22/60/34/1137226034.db2.gz RDWLVDUARHUZEA-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CC2CCC2)nc1-c1cccnc1 ZINC000794683738 1137226037 /nfs/dbraw/zinc/22/60/37/1137226037.db2.gz RDWLVDUARHUZEA-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCN(c3ccccc3C)CC2)cc1F ZINC001144023559 1137229735 /nfs/dbraw/zinc/22/97/35/1137229735.db2.gz WKFCQRLSZUANND-UHFFFAOYSA-N 1 2 346.421 3.994 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC001171134200 1137237766 /nfs/dbraw/zinc/23/77/66/1137237766.db2.gz WSMFOWXKELHSHP-HNNXBMFYSA-N 1 2 346.368 3.682 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC001171134200 1137237768 /nfs/dbraw/zinc/23/77/68/1137237768.db2.gz WSMFOWXKELHSHP-HNNXBMFYSA-N 1 2 346.368 3.682 20 0 EHADLO COCc1cc[nH+]c(NCc2cc3cnn(C(C)C)c3nc2Cl)c1 ZINC000844709458 1137247182 /nfs/dbraw/zinc/24/71/82/1137247182.db2.gz ZGYPCJHHJQTJSP-UHFFFAOYSA-N 1 2 345.834 3.819 20 0 EHADLO C[N@H+](Cc1ccc2cc[nH]c2n1)Cc1ccccc1Br ZINC001144168741 1137248721 /nfs/dbraw/zinc/24/87/21/1137248721.db2.gz JLVIDAWAIMZSRR-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO C[N@@H+](Cc1ccc2cc[nH]c2n1)Cc1ccccc1Br ZINC001144168741 1137248723 /nfs/dbraw/zinc/24/87/23/1137248723.db2.gz JLVIDAWAIMZSRR-UHFFFAOYSA-N 1 2 330.229 3.957 20 0 EHADLO CC(C)c1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)c(C(C)C)c1 ZINC000864850796 1137249255 /nfs/dbraw/zinc/24/92/55/1137249255.db2.gz NCSSCDTUDRGXJS-WAYWQWQTSA-N 1 2 330.472 3.760 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@]3(CC3(F)F)C2)C1 ZINC000844747531 1137249570 /nfs/dbraw/zinc/24/95/70/1137249570.db2.gz LOZDTBOWZFCTQL-LRDDRELGSA-N 1 2 342.455 3.503 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@]3(CC3(F)F)C2)C1 ZINC000844747531 1137249571 /nfs/dbraw/zinc/24/95/71/1137249571.db2.gz LOZDTBOWZFCTQL-LRDDRELGSA-N 1 2 342.455 3.503 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC(COc4ccccc4)CC3)c2c1 ZINC001144197779 1137250068 /nfs/dbraw/zinc/25/00/68/1137250068.db2.gz XURHDDJMCGYYOZ-UHFFFAOYSA-N 1 2 339.414 3.993 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000865175428 1137267068 /nfs/dbraw/zinc/26/70/68/1137267068.db2.gz FXJQSUJXYZXTHR-MRXNPFEDSA-N 1 2 343.446 3.798 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cccc(CC)c2)Cc2nn(CC)cc21 ZINC001144321630 1137272165 /nfs/dbraw/zinc/27/21/65/1137272165.db2.gz SWOWIBQTGAWVKW-SFHVURJKSA-N 1 2 327.472 3.601 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cccc(CC)c2)Cc2nn(CC)cc21 ZINC001144321630 1137272167 /nfs/dbraw/zinc/27/21/67/1137272167.db2.gz SWOWIBQTGAWVKW-SFHVURJKSA-N 1 2 327.472 3.601 20 0 EHADLO C[C@@H](CC(=O)OCCOc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000845279681 1137283337 /nfs/dbraw/zinc/28/33/37/1137283337.db2.gz XNGPUDMLAXKHEC-NSHDSACASA-N 1 2 343.210 3.763 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@@H]3c3ccccn3)nc[nH+]2)cc1 ZINC000865463026 1137285999 /nfs/dbraw/zinc/28/59/99/1137285999.db2.gz UFBPTPSBZBVJCT-GOSISDBHSA-N 1 2 331.423 3.825 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@@H]3c3ccccn3)[nH+]cn2)cc1 ZINC000865463026 1137286000 /nfs/dbraw/zinc/28/60/00/1137286000.db2.gz UFBPTPSBZBVJCT-GOSISDBHSA-N 1 2 331.423 3.825 20 0 EHADLO Cc1ccc(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000865505979 1137289785 /nfs/dbraw/zinc/28/97/85/1137289785.db2.gz NWGJPVKTEDPIMH-LBPRGKRZSA-N 1 2 329.391 3.659 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cccc(C(F)(F)F)c1 ZINC000845450276 1137292716 /nfs/dbraw/zinc/29/27/16/1137292716.db2.gz WXJBLCZJGLIWSU-UHFFFAOYSA-N 1 2 338.329 3.524 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cc2c(cccc2Cl)[nH]1 ZINC000845487182 1137294515 /nfs/dbraw/zinc/29/45/15/1137294515.db2.gz SSRMOWXSSCLGCB-UHFFFAOYSA-N 1 2 343.814 3.640 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001144441927 1137296056 /nfs/dbraw/zinc/29/60/56/1137296056.db2.gz AWYWDLRLOHZRIB-ZGBFETHSSA-N 1 2 348.490 3.956 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2ccc(OC(F)F)cc2F)o1 ZINC000865577384 1137296463 /nfs/dbraw/zinc/29/64/63/1137296463.db2.gz KSBUQIPCRPRPJS-UHFFFAOYSA-N 1 2 328.334 3.966 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1F ZINC000865616351 1137299026 /nfs/dbraw/zinc/29/90/26/1137299026.db2.gz GGYSLFFZBTVBHA-HWPZZCPQSA-N 1 2 343.320 3.778 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)n1 ZINC000865622206 1137299535 /nfs/dbraw/zinc/29/95/35/1137299535.db2.gz PDMIBXUREVYVMQ-UHFFFAOYSA-N 1 2 330.379 3.539 20 0 EHADLO CN(c1ccc(Nc2cnn3c2OCCC3)c[nH+]1)C1CCCCC1 ZINC001212614839 1137300202 /nfs/dbraw/zinc/30/02/02/1137300202.db2.gz XDRFQOYFXIIDHI-UHFFFAOYSA-N 1 2 327.432 3.573 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3noc4ccc(F)cc34)c1)O[C@@H](C)C2 ZINC000865761703 1137309527 /nfs/dbraw/zinc/30/95/27/1137309527.db2.gz ZQAHFVVOARJVEO-NSHDSACASA-N 1 2 342.370 3.589 20 0 EHADLO Cc1n[nH]cc1C1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865771613 1137310228 /nfs/dbraw/zinc/31/02/28/1137310228.db2.gz XCUOPVZNUYUXCF-UHFFFAOYSA-N 1 2 348.454 3.504 20 0 EHADLO C[C@@H]([NH2+]Cc1oc2ccccc2c1Br)c1ccnn1C ZINC000865837229 1137315764 /nfs/dbraw/zinc/31/57/64/1137315764.db2.gz BLEHBRQIJGREPV-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO Brc1cnc(C[NH2+]Cc2scnc2C2CC2)s1 ZINC000865849207 1137316350 /nfs/dbraw/zinc/31/63/50/1137316350.db2.gz MGAKUANFKKLFQC-UHFFFAOYSA-N 1 2 330.276 3.529 20 0 EHADLO O=C1CC2(CC[NH+](Cc3ncn4ccccc34)CC2)c2cc(F)ccc21 ZINC001144617374 1137318932 /nfs/dbraw/zinc/31/89/32/1137318932.db2.gz YBWGNKYKDCIANB-UHFFFAOYSA-N 1 2 349.409 3.594 20 0 EHADLO CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001144640176 1137320090 /nfs/dbraw/zinc/32/00/90/1137320090.db2.gz YPSJVUPXASHJLX-BRWVUGGUSA-N 1 2 342.474 3.925 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1F ZINC001144665400 1137325074 /nfs/dbraw/zinc/32/50/74/1137325074.db2.gz AOXPPCBAZZHKLW-UHFFFAOYSA-N 1 2 331.362 3.692 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1F ZINC000846012624 1137325615 /nfs/dbraw/zinc/32/56/15/1137325615.db2.gz GHAMPTKUSZONFV-XPTSAGLGSA-N 1 2 329.202 3.739 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866220866 1137336004 /nfs/dbraw/zinc/33/60/04/1137336004.db2.gz LETAILNMXCEATR-PKOBYXMFSA-N 1 2 342.414 3.843 20 0 EHADLO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000866250078 1137339144 /nfs/dbraw/zinc/33/91/44/1137339144.db2.gz TYWCURGQZGRPDS-LJQANCHMSA-N 1 2 349.434 3.884 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000846211412 1137343508 /nfs/dbraw/zinc/34/35/08/1137343508.db2.gz FQFUMVSIJQTASS-HZPDHXFCSA-N 1 2 349.475 3.866 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000866332147 1137346338 /nfs/dbraw/zinc/34/63/38/1137346338.db2.gz UREGIJQTLDTWEN-XEGUMIITSA-N 1 2 342.483 3.670 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866355422 1137348960 /nfs/dbraw/zinc/34/89/60/1137348960.db2.gz YFDLPWDMLNRXHN-JTQLQIEISA-N 1 2 333.823 3.679 20 0 EHADLO CC[C@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)c1nccn1C ZINC000866483649 1137358273 /nfs/dbraw/zinc/35/82/73/1137358273.db2.gz LYCXJSXPNYXCFO-INIZCTEOSA-N 1 2 329.444 3.616 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000846653358 1137360531 /nfs/dbraw/zinc/36/05/31/1137360531.db2.gz DLFIBUWBUZXBAQ-JYJNAYRXSA-N 1 2 327.428 3.626 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c(O)cccc1Cl ZINC000846653133 1137360606 /nfs/dbraw/zinc/36/06/06/1137360606.db2.gz ALOOAYPSNOMYBB-JOCQHMNTSA-N 1 2 345.830 3.594 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nn(C)cc2C(F)F)C(C)C)c(F)c1 ZINC000866568551 1137365464 /nfs/dbraw/zinc/36/54/64/1137365464.db2.gz XVAKCPRGGZMJPZ-INIZCTEOSA-N 1 2 341.377 3.992 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCCc1c(F)cccc1F)[C@H]2C ZINC000846867487 1137370217 /nfs/dbraw/zinc/37/02/17/1137370217.db2.gz AYYSMJCNDATVTK-ZDUSSCGKSA-N 1 2 334.414 3.689 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCCc1c(F)cccc1F)[C@H]2C ZINC000846867487 1137370219 /nfs/dbraw/zinc/37/02/19/1137370219.db2.gz AYYSMJCNDATVTK-ZDUSSCGKSA-N 1 2 334.414 3.689 20 0 EHADLO CCC[C@@H]([NH2+]Cc1ncc(Br)s1)c1cccnc1 ZINC000866621102 1137370430 /nfs/dbraw/zinc/37/04/30/1137370430.db2.gz YMHWWLORYOIFPK-LLVKDONJSA-N 1 2 326.263 3.932 20 0 EHADLO CC(=O)C1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000846951773 1137378639 /nfs/dbraw/zinc/37/86/39/1137378639.db2.gz JWTVRIHNCBNLFY-UHFFFAOYSA-N 1 2 331.847 3.635 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1)n1cc[nH+]c1 ZINC001145056272 1137384277 /nfs/dbraw/zinc/38/42/77/1137384277.db2.gz OJRNYZFSRKVYRG-AZUAARDMSA-N 1 2 343.446 3.800 20 0 EHADLO Cc1cccc2c1CCCN2C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001146354254 1137389685 /nfs/dbraw/zinc/38/96/85/1137389685.db2.gz PDCWVRTXPCHTSF-UHFFFAOYSA-N 1 2 331.419 3.703 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC2 ZINC001171291790 1137396766 /nfs/dbraw/zinc/39/67/66/1137396766.db2.gz GRJZKFNVKBPBJO-RYUDHWBXSA-N 1 2 339.863 3.526 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348113361 1137441764 /nfs/dbraw/zinc/44/17/64/1137441764.db2.gz ROBAZVNMLIRVSO-ZJUUUORDSA-N 1 2 341.839 3.922 20 0 EHADLO Cc1nc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2o1 ZINC000348159097 1137446997 /nfs/dbraw/zinc/44/69/97/1137446997.db2.gz NVYWZKQJUJIKCM-UHFFFAOYSA-N 1 2 336.326 3.713 20 0 EHADLO O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000348213412 1137452683 /nfs/dbraw/zinc/45/26/83/1137452683.db2.gz ARENPHFYXFGBSU-UHFFFAOYSA-N 1 2 337.354 3.817 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](C)Oc3cnc4ccccc4c3)ccc2[nH+]1 ZINC000348203662 1137454703 /nfs/dbraw/zinc/45/47/03/1137454703.db2.gz BRVLVVOUMJPEEG-CQSZACIVSA-N 1 2 346.390 3.597 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1cc2ccccc2o1 ZINC000712481638 1137468231 /nfs/dbraw/zinc/46/82/31/1137468231.db2.gz JBCRXFGCBJSJHX-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CC(C)Oc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000714952585 1137475077 /nfs/dbraw/zinc/47/50/77/1137475077.db2.gz UVZKSPMAIUNRJD-UHFFFAOYSA-N 1 2 341.274 3.983 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000870119775 1137477847 /nfs/dbraw/zinc/47/78/47/1137477847.db2.gz FGKOZPPRPXQDEM-ZDUSSCGKSA-N 1 2 334.366 3.736 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000795101056 1137478511 /nfs/dbraw/zinc/47/85/11/1137478511.db2.gz PLXIWNQHEVIOQW-BQFYNABESA-N 1 2 335.275 3.637 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000795101056 1137478513 /nfs/dbraw/zinc/47/85/13/1137478513.db2.gz PLXIWNQHEVIOQW-BQFYNABESA-N 1 2 335.275 3.637 20 0 EHADLO Clc1cccc(Cl)c1CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC001171435223 1137482036 /nfs/dbraw/zinc/48/20/36/1137482036.db2.gz JMAGZTAKRMFFFI-OAHLLOKOSA-N 1 2 332.296 3.744 20 0 EHADLO Clc1cccc(Cl)c1CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC001171435223 1137482038 /nfs/dbraw/zinc/48/20/38/1137482038.db2.gz JMAGZTAKRMFFFI-OAHLLOKOSA-N 1 2 332.296 3.744 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171436991 1137483380 /nfs/dbraw/zinc/48/33/80/1137483380.db2.gz JDOKWXOUIOLIFB-MRXNPFEDSA-N 1 2 347.455 3.810 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171436991 1137483381 /nfs/dbraw/zinc/48/33/81/1137483381.db2.gz JDOKWXOUIOLIFB-MRXNPFEDSA-N 1 2 347.455 3.810 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC(C)(C)C ZINC001171518634 1137496048 /nfs/dbraw/zinc/49/60/48/1137496048.db2.gz XZJWXBIJPSJCKB-FZMZJTMJSA-N 1 2 343.389 3.671 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171656287 1137502141 /nfs/dbraw/zinc/50/21/41/1137502141.db2.gz YZTGWRHNRZVZPV-XLIONFOSSA-N 1 2 325.452 3.690 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000173638956 1137504476 /nfs/dbraw/zinc/50/44/76/1137504476.db2.gz BEPWMSPBXQGEEK-JTQLQIEISA-N 1 2 325.243 3.772 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001171809704 1137514161 /nfs/dbraw/zinc/51/41/61/1137514161.db2.gz LPGFTCNBCUNKIR-KRWDZBQOSA-N 1 2 333.410 3.672 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001171809704 1137514163 /nfs/dbraw/zinc/51/41/63/1137514163.db2.gz LPGFTCNBCUNKIR-KRWDZBQOSA-N 1 2 333.410 3.672 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccc(C)cc3C2)cc1Cl ZINC001171814986 1137514528 /nfs/dbraw/zinc/51/45/28/1137514528.db2.gz AIIFITSZCPPQIA-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCc3ccc(C)cc3C2)cc1Cl ZINC001171814986 1137514530 /nfs/dbraw/zinc/51/45/30/1137514530.db2.gz AIIFITSZCPPQIA-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000871078586 1137521659 /nfs/dbraw/zinc/52/16/59/1137521659.db2.gz WEKWPIRSDHUZOZ-FQEVSTJZSA-N 1 2 325.456 3.596 20 0 EHADLO Brc1cnc2c(c1)C[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001172206421 1137541001 /nfs/dbraw/zinc/54/10/01/1137541001.db2.gz QPZCJUFJDVNBFT-AWEZNQCLSA-N 1 2 347.281 3.877 20 0 EHADLO Brc1cnc2c(c1)C[N@@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001172206421 1137541002 /nfs/dbraw/zinc/54/10/02/1137541002.db2.gz QPZCJUFJDVNBFT-AWEZNQCLSA-N 1 2 347.281 3.877 20 0 EHADLO CC(C)[C@H](C)[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000871852244 1137560612 /nfs/dbraw/zinc/56/06/12/1137560612.db2.gz WTEBAFZSYLAWHP-QWHCGFSZSA-N 1 2 341.293 3.724 20 0 EHADLO O=C1[C@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CCCN1Cc1ccccc1 ZINC000871925009 1137563112 /nfs/dbraw/zinc/56/31/12/1137563112.db2.gz TVKYCOYISHCYCE-MOPGFXCFSA-N 1 2 344.405 3.617 20 0 EHADLO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl ZINC000871925213 1137563164 /nfs/dbraw/zinc/56/31/64/1137563164.db2.gz XSVVXUPEKQTFKZ-QMTHXVAHSA-N 1 2 339.773 3.502 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3nccnc3C)nc(=O)c2c1C ZINC000871937635 1137563423 /nfs/dbraw/zinc/56/34/23/1137563423.db2.gz WSCBQMSUSSLYRJ-MNOVXSKESA-N 1 2 343.456 3.524 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1cccc(O)c1F)O[C@H](C)C2 ZINC000872020096 1137565043 /nfs/dbraw/zinc/56/50/43/1137565043.db2.gz CTHIDPNFZLTKLE-VXGBXAGGSA-N 1 2 331.387 3.714 20 0 EHADLO OC1CCN(c2ccc([NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872056515 1137568514 /nfs/dbraw/zinc/56/85/14/1137568514.db2.gz RTCXCOYZOLRTFM-QGZVFWFLSA-N 1 2 330.472 3.551 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872056515 1137568515 /nfs/dbraw/zinc/56/85/15/1137568515.db2.gz RTCXCOYZOLRTFM-QGZVFWFLSA-N 1 2 330.472 3.551 20 0 EHADLO CC[C@H]([NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000872059997 1137568785 /nfs/dbraw/zinc/56/87/85/1137568785.db2.gz MJHNAXKQBXYHKN-BOSXTWCSSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000872061009 1137568857 /nfs/dbraw/zinc/56/88/57/1137568857.db2.gz VIUIXQKMUJOGER-SZVBFZGTSA-N 1 2 332.488 3.917 20 0 EHADLO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1nn(C)cc1Cl)CCCC2 ZINC000872077028 1137570029 /nfs/dbraw/zinc/57/00/29/1137570029.db2.gz XOQQUHFHGDODGL-HNNXBMFYSA-N 1 2 349.862 3.648 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872318789 1137578383 /nfs/dbraw/zinc/57/83/83/1137578383.db2.gz QHQNRCWPIASQRW-OAHLLOKOSA-N 1 2 334.423 3.750 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318789 1137578384 /nfs/dbraw/zinc/57/83/84/1137578384.db2.gz QHQNRCWPIASQRW-OAHLLOKOSA-N 1 2 334.423 3.750 20 0 EHADLO CCn1c(=S)n(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccco1 ZINC000872712519 1137583097 /nfs/dbraw/zinc/58/30/97/1137583097.db2.gz QSLQXAMPLJSOKE-OKILXGFUSA-N 1 2 330.457 3.549 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccco1 ZINC000872712519 1137583098 /nfs/dbraw/zinc/58/30/98/1137583098.db2.gz QSLQXAMPLJSOKE-OKILXGFUSA-N 1 2 330.457 3.549 20 0 EHADLO CCc1cc(C[NH2+]Cc2cccc(Cl)c2Br)on1 ZINC000873058857 1137589133 /nfs/dbraw/zinc/58/91/33/1137589133.db2.gz KHNPJLMLGHAYJK-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1coc(C(C)(C)C)n1 ZINC000873494229 1137600970 /nfs/dbraw/zinc/60/09/70/1137600970.db2.gz RGTLVUGYPZRGMA-UHFFFAOYSA-N 1 2 339.395 3.823 20 0 EHADLO CCCCN(C)c1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000124596138 1137604749 /nfs/dbraw/zinc/60/47/49/1137604749.db2.gz DVSAQMGSSJPGGL-UHFFFAOYSA-N 1 2 343.475 3.673 20 0 EHADLO C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1c(F)cccc1F ZINC000873969825 1137608577 /nfs/dbraw/zinc/60/85/77/1137608577.db2.gz RCFDFTZDTAEQMR-CABZTGNLSA-N 1 2 347.287 3.532 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1C ZINC000874105944 1137610625 /nfs/dbraw/zinc/61/06/25/1137610625.db2.gz RTMMILYBTPDEOR-AWEZNQCLSA-N 1 2 325.334 3.656 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C/C=C\Cc1ccccc1 ZINC000874158868 1137611176 /nfs/dbraw/zinc/61/11/76/1137611176.db2.gz JUCAHIXGAYPCDO-ZEVQVBBLSA-N 1 2 325.456 3.603 20 0 EHADLO CC(F)(F)c1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874890651 1137625610 /nfs/dbraw/zinc/62/56/10/1137625610.db2.gz WKAJSHODMHCZKT-KRWDZBQOSA-N 1 2 348.368 3.724 20 0 EHADLO CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)c(C)c1 ZINC000874928982 1137626531 /nfs/dbraw/zinc/62/65/31/1137626531.db2.gz VIKLCDAMEHJBKE-AWEZNQCLSA-N 1 2 343.324 3.877 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2F)CCC[C@]1(O)C(F)(F)F ZINC001137868735 1137631731 /nfs/dbraw/zinc/63/17/31/1137631731.db2.gz PKNGMYHABUURMI-YMTOWFKASA-N 1 2 341.295 3.629 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2F)CCC[C@]1(O)C(F)(F)F ZINC001137868735 1137631732 /nfs/dbraw/zinc/63/17/32/1137631732.db2.gz PKNGMYHABUURMI-YMTOWFKASA-N 1 2 341.295 3.629 20 0 EHADLO CC(F)(F)C(C)(C)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000825827911 1137639685 /nfs/dbraw/zinc/63/96/85/1137639685.db2.gz GRRYHOHGAFHXSP-AWEZNQCLSA-N 1 2 335.398 3.729 20 0 EHADLO [NH3+][C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F ZINC000825835773 1137641585 /nfs/dbraw/zinc/64/15/85/1137641585.db2.gz KNRLLPKEKNHXPF-SFHVURJKSA-N 1 2 345.393 3.594 20 0 EHADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876648019 1137658216 /nfs/dbraw/zinc/65/82/16/1137658216.db2.gz LGUJZDTYMXJQRP-AWEZNQCLSA-N 1 2 342.874 3.546 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@H](C)CO1 ZINC000876757153 1137660617 /nfs/dbraw/zinc/66/06/17/1137660617.db2.gz DGJKTMHYUHJTCS-KUHUBIRLSA-N 1 2 338.407 3.804 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@H](C)CO1 ZINC000876757153 1137660618 /nfs/dbraw/zinc/66/06/18/1137660618.db2.gz DGJKTMHYUHJTCS-KUHUBIRLSA-N 1 2 338.407 3.804 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3c(ccnc3Cl)o2)[C@H](CC)CN1C(C)=O ZINC000876770664 1137660874 /nfs/dbraw/zinc/66/08/74/1137660874.db2.gz PASAVOLCWCGNBP-ZIAGYGMSSA-N 1 2 349.862 3.703 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3c(ccnc3Cl)o2)[C@H](CC)CN1C(C)=O ZINC000876770664 1137660875 /nfs/dbraw/zinc/66/08/75/1137660875.db2.gz PASAVOLCWCGNBP-ZIAGYGMSSA-N 1 2 349.862 3.703 20 0 EHADLO CCOCCOCc1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000876823157 1137662750 /nfs/dbraw/zinc/66/27/50/1137662750.db2.gz ZSYQJXMURVDAPN-UHFFFAOYSA-N 1 2 344.455 3.872 20 0 EHADLO C[C@H]([NH2+]Cc1cc2c(ccnc2Cl)o1)c1nnc2n1CCCCC2 ZINC000876922002 1137665328 /nfs/dbraw/zinc/66/53/28/1137665328.db2.gz OVYJPIWRQMJUST-NSHDSACASA-N 1 2 345.834 3.650 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(Cl)cs2)ccc1OC(C)C ZINC000876925708 1137665510 /nfs/dbraw/zinc/66/55/10/1137665510.db2.gz CXMQDNXKSOOAMB-UHFFFAOYSA-N 1 2 326.849 3.882 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877473797 1137677352 /nfs/dbraw/zinc/67/73/52/1137677352.db2.gz NGMFBWFKRGJJET-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877473797 1137677353 /nfs/dbraw/zinc/67/73/53/1137677353.db2.gz NGMFBWFKRGJJET-SECBINFHSA-N 1 2 335.698 3.825 20 0 EHADLO Cc1noc(C[C@@H]([NH2+]Cc2nc(Cl)cs2)c2ccccc2)n1 ZINC000877479966 1137677656 /nfs/dbraw/zinc/67/76/56/1137677656.db2.gz ZETOIDBXHANFSM-GFCCVEGCSA-N 1 2 334.832 3.562 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1Br ZINC000877485797 1137678146 /nfs/dbraw/zinc/67/81/46/1137678146.db2.gz AEZKCYSEHOHREB-VHSXEESVSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1Br ZINC000877485797 1137678147 /nfs/dbraw/zinc/67/81/47/1137678147.db2.gz AEZKCYSEHOHREB-VHSXEESVSA-N 1 2 337.183 3.925 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc(NC(=O)N(C)C)c2C)c1C ZINC000877489505 1137678277 /nfs/dbraw/zinc/67/82/77/1137678277.db2.gz PHOODIFEKWOUOQ-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCC1CCSCC1 ZINC000877571935 1137681576 /nfs/dbraw/zinc/68/15/76/1137681576.db2.gz BZZCYDIMMOKGNZ-UHFFFAOYSA-N 1 2 337.489 3.661 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nn1 ZINC000877616885 1137683167 /nfs/dbraw/zinc/68/31/67/1137683167.db2.gz PREWQJZBXRMBGZ-ULQDDVLXSA-N 1 2 329.831 3.625 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nn1 ZINC000877616885 1137683168 /nfs/dbraw/zinc/68/31/68/1137683168.db2.gz PREWQJZBXRMBGZ-ULQDDVLXSA-N 1 2 329.831 3.625 20 0 EHADLO CSC1CC[NH+](Cc2cc(Br)cnc2Cl)CC1 ZINC000877663418 1137684909 /nfs/dbraw/zinc/68/49/09/1137684909.db2.gz QSYCMKUYBMBRNL-UHFFFAOYSA-N 1 2 335.698 3.825 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cccnc2Br)[C@@H](c2ccccc2)C1 ZINC000877672438 1137685257 /nfs/dbraw/zinc/68/52/57/1137685257.db2.gz FBOHNYYPJNMFGT-JKSUJKDBSA-N 1 2 347.256 3.542 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cccnc2Br)[C@@H](c2ccccc2)C1 ZINC000877672438 1137685258 /nfs/dbraw/zinc/68/52/58/1137685258.db2.gz FBOHNYYPJNMFGT-JKSUJKDBSA-N 1 2 347.256 3.542 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cnc(CC(C)C)s1)CC2 ZINC000877681186 1137685560 /nfs/dbraw/zinc/68/55/60/1137685560.db2.gz IAIZGHIRDQIPCF-UHFFFAOYSA-N 1 2 343.496 3.858 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cnc(CC(C)C)s1)CC2 ZINC000877681186 1137685561 /nfs/dbraw/zinc/68/55/61/1137685561.db2.gz IAIZGHIRDQIPCF-UHFFFAOYSA-N 1 2 343.496 3.858 20 0 EHADLO c1oc(C2CC2)nc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735642 1137687200 /nfs/dbraw/zinc/68/72/00/1137687200.db2.gz AMVSHFKUGTVBLQ-UHFFFAOYSA-N 1 2 328.416 3.582 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000877734613 1137687251 /nfs/dbraw/zinc/68/72/51/1137687251.db2.gz BTMWHYOQWQPWLW-UHFFFAOYSA-N 1 2 343.185 3.589 20 0 EHADLO FC(F)(F)c1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877820329 1137691727 /nfs/dbraw/zinc/69/17/27/1137691727.db2.gz HMBQXAZXLQSYEA-LBPRGKRZSA-N 1 2 327.268 3.859 20 0 EHADLO FC(F)(F)c1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877820329 1137691728 /nfs/dbraw/zinc/69/17/28/1137691728.db2.gz HMBQXAZXLQSYEA-LBPRGKRZSA-N 1 2 327.268 3.859 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CC[C@H](C(F)(F)F)O1 ZINC000877824812 1137692113 /nfs/dbraw/zinc/69/21/13/1137692113.db2.gz UWJBBYCCCLYYPH-GXFFZTMASA-N 1 2 334.407 3.564 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@H](C(F)(F)F)O1 ZINC000877824812 1137692114 /nfs/dbraw/zinc/69/21/14/1137692114.db2.gz UWJBBYCCCLYYPH-GXFFZTMASA-N 1 2 334.407 3.564 20 0 EHADLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000877829644 1137692652 /nfs/dbraw/zinc/69/26/52/1137692652.db2.gz ZAPQJWBSJFGYMH-SNVBAGLBSA-N 1 2 347.789 3.572 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCO[C@@H](C(C)(C)C)C2 ZINC000877853866 1137693450 /nfs/dbraw/zinc/69/34/50/1137693450.db2.gz NDWZUWNRGULQOQ-UZLBHIALSA-N 1 2 336.520 3.843 20 0 EHADLO c1cc2c(cc1[C@@H]1CCC[N@H+]1Cc1nc3c(o1)CCCC3)OCCO2 ZINC000877937463 1137696401 /nfs/dbraw/zinc/69/64/01/1137696401.db2.gz MOTODXJOWGXRDO-INIZCTEOSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(cc1[C@@H]1CCC[N@@H+]1Cc1nc3c(o1)CCCC3)OCCO2 ZINC000877937463 1137696402 /nfs/dbraw/zinc/69/64/02/1137696402.db2.gz MOTODXJOWGXRDO-INIZCTEOSA-N 1 2 340.423 3.662 20 0 EHADLO Clc1ccc2ccc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)nc2c1 ZINC000877977674 1137698123 /nfs/dbraw/zinc/69/81/23/1137698123.db2.gz REATYUFEFNHXDP-CQSZACIVSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc2ccc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)nc2c1 ZINC000877977674 1137698124 /nfs/dbraw/zinc/69/81/24/1137698124.db2.gz REATYUFEFNHXDP-CQSZACIVSA-N 1 2 326.831 3.991 20 0 EHADLO CCCC[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)[C@H](C)c1ccc(C)o1 ZINC000878011753 1137699410 /nfs/dbraw/zinc/69/94/10/1137699410.db2.gz ABAOJWCXLVELNZ-CQSZACIVSA-N 1 2 345.443 3.520 20 0 EHADLO CCCC[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)[C@H](C)c1ccc(C)o1 ZINC000878011753 1137699411 /nfs/dbraw/zinc/69/94/11/1137699411.db2.gz ABAOJWCXLVELNZ-CQSZACIVSA-N 1 2 345.443 3.520 20 0 EHADLO COCC(C)(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878044633 1137700599 /nfs/dbraw/zinc/70/05/99/1137700599.db2.gz OWKORYAMRWXWPN-UHFFFAOYSA-N 1 2 330.215 3.558 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ncccc1C ZINC000878079822 1137701371 /nfs/dbraw/zinc/70/13/71/1137701371.db2.gz MZXKQFQIZHJXFQ-QGZVFWFLSA-N 1 2 339.439 3.564 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ncccc1C ZINC000878079822 1137701372 /nfs/dbraw/zinc/70/13/72/1137701372.db2.gz MZXKQFQIZHJXFQ-QGZVFWFLSA-N 1 2 339.439 3.564 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCS(=O)(=O)C(C)(C)C)s1 ZINC000878130232 1137703587 /nfs/dbraw/zinc/70/35/87/1137703587.db2.gz FWJLWQBFFHVNHV-CYBMUJFWSA-N 1 2 346.562 3.610 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C)s1 ZINC000878130232 1137703588 /nfs/dbraw/zinc/70/35/88/1137703588.db2.gz FWJLWQBFFHVNHV-CYBMUJFWSA-N 1 2 346.562 3.610 20 0 EHADLO COCCc1noc(C[N@H+](C)Cc2c(C)ccc3cc(C)ccc32)n1 ZINC000878189157 1137706404 /nfs/dbraw/zinc/70/64/04/1137706404.db2.gz YZQQJMMASDZNTA-UHFFFAOYSA-N 1 2 339.439 3.661 20 0 EHADLO COCCc1noc(C[N@@H+](C)Cc2c(C)ccc3cc(C)ccc32)n1 ZINC000878189157 1137706405 /nfs/dbraw/zinc/70/64/05/1137706405.db2.gz YZQQJMMASDZNTA-UHFFFAOYSA-N 1 2 339.439 3.661 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878306125 1137710560 /nfs/dbraw/zinc/71/05/60/1137710560.db2.gz SVIUYASSZHPZHV-MRXNPFEDSA-N 1 2 340.467 3.502 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878306125 1137710561 /nfs/dbraw/zinc/71/05/61/1137710561.db2.gz SVIUYASSZHPZHV-MRXNPFEDSA-N 1 2 340.467 3.502 20 0 EHADLO OC1(Cc2ccc(F)cc2)CC[NH+](Cc2scnc2Cl)CC1 ZINC000878451858 1137716638 /nfs/dbraw/zinc/71/66/38/1137716638.db2.gz NXFPWKGMICOSLJ-UHFFFAOYSA-N 1 2 340.851 3.505 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2nocc2C)cc1 ZINC000878542123 1137719640 /nfs/dbraw/zinc/71/96/40/1137719640.db2.gz XADNKXPHRDSGMA-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2nocc2C)cc1 ZINC000878542123 1137719641 /nfs/dbraw/zinc/71/96/41/1137719641.db2.gz XADNKXPHRDSGMA-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000878546390 1137719738 /nfs/dbraw/zinc/71/97/38/1137719738.db2.gz USKFJQWCEBHPDU-ZDUSSCGKSA-N 1 2 344.484 3.829 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000878553694 1137720086 /nfs/dbraw/zinc/72/00/86/1137720086.db2.gz ORRWZIRFJLOOQS-SFHVURJKSA-N 1 2 340.471 3.758 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000878553694 1137720087 /nfs/dbraw/zinc/72/00/87/1137720087.db2.gz ORRWZIRFJLOOQS-SFHVURJKSA-N 1 2 340.471 3.758 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(Cc3nc(C(C)(C)C)cs3)CC2)n1 ZINC000878930783 1137732601 /nfs/dbraw/zinc/73/26/01/1137732601.db2.gz FYZXADJIEIWYOA-UHFFFAOYSA-N 1 2 344.528 3.994 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001137139698 1137734836 /nfs/dbraw/zinc/73/48/36/1137734836.db2.gz PKFLZHGWSSSWNH-NRFANRHFSA-N 1 2 336.479 3.889 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001137139698 1137734837 /nfs/dbraw/zinc/73/48/37/1137734837.db2.gz PKFLZHGWSSSWNH-NRFANRHFSA-N 1 2 336.479 3.889 20 0 EHADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000879038867 1137736089 /nfs/dbraw/zinc/73/60/89/1137736089.db2.gz ZHEDVQBMILDEAO-QWRGUYRKSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000879038867 1137736090 /nfs/dbraw/zinc/73/60/90/1137736090.db2.gz ZHEDVQBMILDEAO-QWRGUYRKSA-N 1 2 330.881 3.596 20 0 EHADLO CC(C)Oc1ccccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137140782 1137737922 /nfs/dbraw/zinc/73/79/22/1137737922.db2.gz QBKRKMXKPOIHIY-SFHVURJKSA-N 1 2 338.442 3.779 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000879214996 1137741380 /nfs/dbraw/zinc/74/13/80/1137741380.db2.gz XVQKQGORQVWZNF-INIZCTEOSA-N 1 2 329.831 3.957 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000879214996 1137741381 /nfs/dbraw/zinc/74/13/81/1137741381.db2.gz XVQKQGORQVWZNF-INIZCTEOSA-N 1 2 329.831 3.957 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1sc2cccc(F)c2c1Cl ZINC000879553091 1137750626 /nfs/dbraw/zinc/75/06/26/1137750626.db2.gz WKLSECBDLUYOQQ-SECBINFHSA-N 1 2 349.818 3.635 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000879669799 1137754690 /nfs/dbraw/zinc/75/46/90/1137754690.db2.gz VHQPLFITXIEVAB-JHJVBQTASA-N 1 2 347.381 3.790 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC[C@@H](CF)C3)ccc21 ZINC000879722608 1137756506 /nfs/dbraw/zinc/75/65/06/1137756506.db2.gz WVVAGTUQWYSIMJ-ZDUSSCGKSA-N 1 2 330.407 3.514 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cncc(C)c2)c(F)c1 ZINC000879747517 1137757583 /nfs/dbraw/zinc/75/75/83/1137757583.db2.gz NBXACWUPVYSHQL-SFHVURJKSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cncc(C)c2)c(F)c1 ZINC000879747517 1137757584 /nfs/dbraw/zinc/75/75/84/1137757584.db2.gz NBXACWUPVYSHQL-SFHVURJKSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cncc(C)c3)o2)c(C)o1 ZINC000879749005 1137757795 /nfs/dbraw/zinc/75/77/95/1137757795.db2.gz ROKBIBFAKUHUJY-KRWDZBQOSA-N 1 2 338.411 3.987 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H]3c3cncc(C)c3)o2)c(C)o1 ZINC000879749005 1137757796 /nfs/dbraw/zinc/75/77/96/1137757796.db2.gz ROKBIBFAKUHUJY-KRWDZBQOSA-N 1 2 338.411 3.987 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000879781885 1137758601 /nfs/dbraw/zinc/75/86/01/1137758601.db2.gz KXESMMYBQNVJDV-INIZCTEOSA-N 1 2 337.398 3.732 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H](C(F)(F)F)O1 ZINC000880055715 1137766729 /nfs/dbraw/zinc/76/67/29/1137766729.db2.gz DPJCHUIXRSAQKK-GXFFZTMASA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@H](C(F)(F)F)O1 ZINC000880055715 1137766730 /nfs/dbraw/zinc/76/67/30/1137766730.db2.gz DPJCHUIXRSAQKK-GXFFZTMASA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H](C(F)(F)F)O1 ZINC000880055716 1137766739 /nfs/dbraw/zinc/76/67/39/1137766739.db2.gz DPJCHUIXRSAQKK-MFKMUULPSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@@H](C(F)(F)F)O1 ZINC000880055716 1137766740 /nfs/dbraw/zinc/76/67/40/1137766740.db2.gz DPJCHUIXRSAQKK-MFKMUULPSA-N 1 2 330.375 3.838 20 0 EHADLO C=Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000880214223 1137771144 /nfs/dbraw/zinc/77/11/44/1137771144.db2.gz ABYGPLMJKHLJBA-UHFFFAOYSA-N 1 2 327.453 3.741 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(F)CC3)cs2)cc1 ZINC000880241134 1137771910 /nfs/dbraw/zinc/77/19/10/1137771910.db2.gz SRXPRFRLPQNQOK-UHFFFAOYSA-N 1 2 347.459 3.567 20 0 EHADLO Cc1csc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001137155872 1137780306 /nfs/dbraw/zinc/78/03/06/1137780306.db2.gz LDTBGHFFJGWECO-UHFFFAOYSA-N 1 2 341.436 3.577 20 0 EHADLO Cc1csc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001137155872 1137780307 /nfs/dbraw/zinc/78/03/07/1137780307.db2.gz LDTBGHFFJGWECO-UHFFFAOYSA-N 1 2 341.436 3.577 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000880688333 1137784583 /nfs/dbraw/zinc/78/45/83/1137784583.db2.gz UGABTZVBEDMEBA-JTQLQIEISA-N 1 2 338.333 3.518 20 0 EHADLO CCCOc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1C(C)C ZINC000882653192 1137830763 /nfs/dbraw/zinc/83/07/63/1137830763.db2.gz ZXZZGJICIIFZQD-UHFFFAOYSA-N 1 2 329.444 3.904 20 0 EHADLO C[C@H](CC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F)n1cc[nH+]c1 ZINC000882728458 1137832709 /nfs/dbraw/zinc/83/27/09/1137832709.db2.gz YMBOGHQEIQZYDB-YGRLFVJLSA-N 1 2 327.762 3.610 20 0 EHADLO CC(C)(C)CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000882886543 1137836954 /nfs/dbraw/zinc/83/69/54/1137836954.db2.gz ZJKFNXDPUKFCHI-UHFFFAOYSA-N 1 2 327.472 3.850 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000131031974 1137845290 /nfs/dbraw/zinc/84/52/90/1137845290.db2.gz YRGLSVVYHRVCFF-UHFFFAOYSA-N 1 2 343.374 3.909 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000131031974 1137845291 /nfs/dbraw/zinc/84/52/91/1137845291.db2.gz YRGLSVVYHRVCFF-UHFFFAOYSA-N 1 2 343.374 3.909 20 0 EHADLO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000883329062 1137855416 /nfs/dbraw/zinc/85/54/16/1137855416.db2.gz CQOKFFLUHXODNW-AWEZNQCLSA-N 1 2 342.370 3.979 20 0 EHADLO OCCCCOc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883381284 1137858302 /nfs/dbraw/zinc/85/83/02/1137858302.db2.gz KHLCGLWLZHBTIR-PZJWPPBQSA-N 1 2 343.442 3.953 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883383133 1137858494 /nfs/dbraw/zinc/85/84/94/1137858494.db2.gz UBWVYLSERVJFFB-AZUAARDMSA-N 1 2 345.414 3.793 20 0 EHADLO C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000883411406 1137860133 /nfs/dbraw/zinc/86/01/33/1137860133.db2.gz XVNSJJNCIWNTHC-MAUKXSAKSA-N 1 2 326.444 3.502 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883622610 1137865607 /nfs/dbraw/zinc/86/56/07/1137865607.db2.gz VIBCUFCOLARBGJ-YJBOKZPZSA-N 1 2 326.444 3.502 20 0 EHADLO C[C@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C)n1cc[nH+]c1 ZINC001137197333 1137870264 /nfs/dbraw/zinc/87/02/64/1137870264.db2.gz RFLBPVHURPZFGY-GHMZBOCLSA-N 1 2 338.238 3.897 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000102773819 1137873933 /nfs/dbraw/zinc/87/39/33/1137873933.db2.gz JBAJBCXDZFVLDF-UHFFFAOYSA-N 1 2 345.436 3.685 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000102773819 1137873934 /nfs/dbraw/zinc/87/39/34/1137873934.db2.gz JBAJBCXDZFVLDF-UHFFFAOYSA-N 1 2 345.436 3.685 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)CC(F)F)c1C ZINC000883878898 1137876885 /nfs/dbraw/zinc/87/68/85/1137876885.db2.gz ANGVSIJUSPLWTM-UHFFFAOYSA-N 1 2 343.418 3.530 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)nc(N)c2c1C ZINC000348249996 1137878653 /nfs/dbraw/zinc/87/86/53/1137878653.db2.gz XYLDOVWATKVQLL-PSASIEDQSA-N 1 2 344.406 3.663 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)nc(N)c2c1C ZINC000348249996 1137878654 /nfs/dbraw/zinc/87/86/54/1137878654.db2.gz XYLDOVWATKVQLL-PSASIEDQSA-N 1 2 344.406 3.663 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1CC1CCOCC1 ZINC001202598613 1137882646 /nfs/dbraw/zinc/88/26/46/1137882646.db2.gz ORQJKDORBFKZRL-UHFFFAOYSA-N 1 2 343.446 3.667 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1CC1CCOCC1 ZINC001202598613 1137882647 /nfs/dbraw/zinc/88/26/47/1137882647.db2.gz ORQJKDORBFKZRL-UHFFFAOYSA-N 1 2 343.446 3.667 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007661721 1137892332 /nfs/dbraw/zinc/89/23/32/1137892332.db2.gz YVEWDXHCRQSDOE-CYBMUJFWSA-N 1 2 332.469 3.989 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007661721 1137892333 /nfs/dbraw/zinc/89/23/33/1137892333.db2.gz YVEWDXHCRQSDOE-CYBMUJFWSA-N 1 2 332.469 3.989 20 0 EHADLO COc1ccc(OC)c(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000133489456 1137894407 /nfs/dbraw/zinc/89/44/07/1137894407.db2.gz PYJVTQMVKRNJEU-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000133489456 1137894408 /nfs/dbraw/zinc/89/44/08/1137894408.db2.gz PYJVTQMVKRNJEU-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000800103669 1137897783 /nfs/dbraw/zinc/89/77/83/1137897783.db2.gz VBFFRODYCKIURT-IRVMHKCDSA-N 1 2 329.488 3.918 20 0 EHADLO O=C(C(F)=C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103882 1137897905 /nfs/dbraw/zinc/89/79/05/1137897905.db2.gz RCUYMSFIIDVSPV-HNNXBMFYSA-N 1 2 331.435 3.723 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000111376754 1137904484 /nfs/dbraw/zinc/90/44/84/1137904484.db2.gz FQLIFFCWHDLJIN-VXGBXAGGSA-N 1 2 335.448 3.831 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000112995904 1137911191 /nfs/dbraw/zinc/91/11/91/1137911191.db2.gz SRZXGJWQJQBMKR-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000112995904 1137911192 /nfs/dbraw/zinc/91/11/92/1137911192.db2.gz SRZXGJWQJQBMKR-INIZCTEOSA-N 1 2 344.436 3.577 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000114708555 1137918510 /nfs/dbraw/zinc/91/85/10/1137918510.db2.gz TVINZESPFJYLQQ-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000114708555 1137918511 /nfs/dbraw/zinc/91/85/11/1137918511.db2.gz TVINZESPFJYLQQ-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918228 1137925550 /nfs/dbraw/zinc/92/55/50/1137925550.db2.gz NXAKQJOQLCRRDL-XJKSGUPXSA-N 1 2 331.412 3.777 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918228 1137925551 /nfs/dbraw/zinc/92/55/51/1137925551.db2.gz NXAKQJOQLCRRDL-XJKSGUPXSA-N 1 2 331.412 3.777 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331991678 1137927951 /nfs/dbraw/zinc/92/79/51/1137927951.db2.gz ZNEAZCSSKQLGAP-UHFFFAOYSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1Cl ZINC000118991586 1137937142 /nfs/dbraw/zinc/93/71/42/1137937142.db2.gz KRQNISPQFMDVLD-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)[C@H](C)C1 ZINC000119124160 1137938343 /nfs/dbraw/zinc/93/83/43/1137938343.db2.gz VXNXNQYQLCXOKW-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)[C@H](C)C1 ZINC000119124160 1137938344 /nfs/dbraw/zinc/93/83/44/1137938344.db2.gz VXNXNQYQLCXOKW-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000119124740 1137938366 /nfs/dbraw/zinc/93/83/66/1137938366.db2.gz CWFRXFYGUCUAFQ-UHFFFAOYSA-N 1 2 348.878 3.546 20 0 EHADLO Cc1c(F)c(F)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000332414863 1137943284 /nfs/dbraw/zinc/94/32/84/1137943284.db2.gz LRBAZRNNWWKZNS-XHDPSFHLSA-N 1 2 334.370 3.585 20 0 EHADLO CC(C)(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)F ZINC000348317593 1137946831 /nfs/dbraw/zinc/94/68/31/1137946831.db2.gz GUYYWJGOJPDLEO-UHFFFAOYSA-N 1 2 331.366 3.832 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120314711 1137948526 /nfs/dbraw/zinc/94/85/26/1137948526.db2.gz YZAFPUDHZXHNOI-IBGZPJMESA-N 1 2 325.456 3.562 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000135996276 1138011807 /nfs/dbraw/zinc/01/18/07/1138011807.db2.gz JFCKZDFESCTYIJ-INIZCTEOSA-N 1 2 347.821 3.786 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000135996276 1138011810 /nfs/dbraw/zinc/01/18/10/1138011810.db2.gz JFCKZDFESCTYIJ-INIZCTEOSA-N 1 2 347.821 3.786 20 0 EHADLO Cc1n[nH]c(C[NH2+]Cc2csc(CCc3ccccc3)n2)c1C ZINC000886012583 1138032264 /nfs/dbraw/zinc/03/22/64/1138032264.db2.gz KOLCOKACFSXJOL-UHFFFAOYSA-N 1 2 326.469 3.558 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000348361873 1138044910 /nfs/dbraw/zinc/04/49/10/1138044910.db2.gz AYVNJICEABDUAI-NRFANRHFSA-N 1 2 345.446 3.629 20 0 EHADLO CC(C)(C)c1ccc(/C=C\C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000886122405 1138049198 /nfs/dbraw/zinc/04/91/98/1138049198.db2.gz AJLMRIGSYNODJY-XFXZXTDPSA-N 1 2 349.478 3.741 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000065163579 1138073109 /nfs/dbraw/zinc/07/31/09/1138073109.db2.gz GPABEZFSKXQEOS-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000065163579 1138073111 /nfs/dbraw/zinc/07/31/11/1138073111.db2.gz GPABEZFSKXQEOS-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000886433537 1138076545 /nfs/dbraw/zinc/07/65/45/1138076545.db2.gz NACLMSYWXDSLFN-SFHVURJKSA-N 1 2 340.398 3.955 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000886433537 1138076547 /nfs/dbraw/zinc/07/65/47/1138076547.db2.gz NACLMSYWXDSLFN-SFHVURJKSA-N 1 2 340.398 3.955 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000886651796 1138107467 /nfs/dbraw/zinc/10/74/67/1138107467.db2.gz RLNKOHHTWJRGCW-IGNZVWTISA-N 1 2 328.387 3.544 20 0 EHADLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000072874930 1138108560 /nfs/dbraw/zinc/10/85/60/1138108560.db2.gz PKPNRWCYLJGIQR-VIFPVBQESA-N 1 2 331.641 3.525 20 0 EHADLO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000072874930 1138108561 /nfs/dbraw/zinc/10/85/61/1138108561.db2.gz PKPNRWCYLJGIQR-VIFPVBQESA-N 1 2 331.641 3.525 20 0 EHADLO Cc1ccccc1-c1cnc(C[NH+]2CCC(C(=O)OC(C)C)CC2)o1 ZINC000886724048 1138125790 /nfs/dbraw/zinc/12/57/90/1138125790.db2.gz VEVDQEOHXBFJIK-UHFFFAOYSA-N 1 2 342.439 3.814 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCC(C(=O)OC(C)C)CC3)nc2c1 ZINC000886732595 1138128367 /nfs/dbraw/zinc/12/83/67/1138128367.db2.gz LACGUXIDDHTMLS-UHFFFAOYSA-N 1 2 332.469 3.768 20 0 EHADLO CC1(C)CCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000078576940 1138150486 /nfs/dbraw/zinc/15/04/86/1138150486.db2.gz SINURCIOMXSEDB-QGZVFWFLSA-N 1 2 342.443 3.662 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1OC ZINC000079303288 1138155292 /nfs/dbraw/zinc/15/52/92/1138155292.db2.gz LJNVMAUXMBASCN-OLZOCXBDSA-N 1 2 333.432 3.930 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000080015919 1138160117 /nfs/dbraw/zinc/16/01/17/1138160117.db2.gz BVTQODAHMNPJGX-CRAIPNDOSA-N 1 2 326.444 3.502 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137231960 1138181473 /nfs/dbraw/zinc/18/14/73/1138181473.db2.gz YVANHVPYSCERNL-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137231960 1138181476 /nfs/dbraw/zinc/18/14/76/1138181476.db2.gz YVANHVPYSCERNL-KRWDZBQOSA-N 1 2 339.867 3.614 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c(C)c1 ZINC000348399117 1138183287 /nfs/dbraw/zinc/18/32/87/1138183287.db2.gz ADEMZVJUFCWSOH-UHFFFAOYSA-N 1 2 346.434 3.688 20 0 EHADLO CCc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 ZINC000348403374 1138195340 /nfs/dbraw/zinc/19/53/40/1138195340.db2.gz DQDACHRFHFIUMP-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093336026 1138236234 /nfs/dbraw/zinc/23/62/34/1138236234.db2.gz KMSBDMFZRRJQML-UHFFFAOYSA-N 1 2 329.469 3.612 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093336026 1138236235 /nfs/dbraw/zinc/23/62/35/1138236235.db2.gz KMSBDMFZRRJQML-UHFFFAOYSA-N 1 2 329.469 3.612 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(C)CC=CCC3)CC2)cc1 ZINC000826543244 1138236468 /nfs/dbraw/zinc/23/64/68/1138236468.db2.gz LUHQAKRFFGTPPE-NRFANRHFSA-N 1 2 341.499 3.584 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1O ZINC000093606377 1138238563 /nfs/dbraw/zinc/23/85/63/1138238563.db2.gz FVZWGCJTOKVWMP-BFUOFWGJSA-N 1 2 331.387 3.502 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1O ZINC000093606377 1138238564 /nfs/dbraw/zinc/23/85/64/1138238564.db2.gz FVZWGCJTOKVWMP-BFUOFWGJSA-N 1 2 331.387 3.502 20 0 EHADLO COCCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769023 1138240836 /nfs/dbraw/zinc/24/08/36/1138240836.db2.gz FQPOZBLQFNZELY-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO COCCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769023 1138240837 /nfs/dbraw/zinc/24/08/37/1138240837.db2.gz FQPOZBLQFNZELY-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000093807624 1138241349 /nfs/dbraw/zinc/24/13/49/1138241349.db2.gz KMZPRLGBZRLXHU-UHFFFAOYSA-N 1 2 330.432 3.867 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000093807624 1138241351 /nfs/dbraw/zinc/24/13/51/1138241351.db2.gz KMZPRLGBZRLXHU-UHFFFAOYSA-N 1 2 330.432 3.867 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000122871542 1138263209 /nfs/dbraw/zinc/26/32/09/1138263209.db2.gz QGOIWBSWHCEJNE-OAHLLOKOSA-N 1 2 330.432 3.614 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2cnccn2)c(OC(F)F)c1 ZINC000123270545 1138268573 /nfs/dbraw/zinc/26/85/73/1138268573.db2.gz NBJPEHSHLCKISQ-LBPRGKRZSA-N 1 2 337.370 3.718 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)c(OC(F)F)c1 ZINC000123982865 1138277037 /nfs/dbraw/zinc/27/70/37/1138277037.db2.gz VQKRVBFAQNNELM-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124742450 1138293564 /nfs/dbraw/zinc/29/35/64/1138293564.db2.gz FTZCLFGCWDWTKC-MJGOQNOKSA-N 1 2 337.467 3.706 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124888689 1138296511 /nfs/dbraw/zinc/29/65/11/1138296511.db2.gz DUKFUCWXSVRULL-YJBOKZPZSA-N 1 2 342.443 3.787 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1Cl ZINC000333508411 1138298415 /nfs/dbraw/zinc/29/84/15/1138298415.db2.gz DUGVAURDYISWRA-GXTWGEPZSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1Cl ZINC000333508411 1138298418 /nfs/dbraw/zinc/29/84/18/1138298418.db2.gz DUGVAURDYISWRA-GXTWGEPZSA-N 1 2 333.819 3.624 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000125517011 1138310698 /nfs/dbraw/zinc/31/06/98/1138310698.db2.gz MSQMTXAEFKNHAE-UHFFFAOYSA-N 1 2 330.432 3.614 20 0 EHADLO CCc1ccsc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126144487 1138324942 /nfs/dbraw/zinc/32/49/42/1138324942.db2.gz KQSXCEPOWHEJPK-UHFFFAOYSA-N 1 2 344.480 3.703 20 0 EHADLO CCCOc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000263665870 1138339177 /nfs/dbraw/zinc/33/91/77/1138339177.db2.gz DCHAOCACLFWWRU-VMPITWQZSA-N 1 2 339.439 3.549 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C2CC2)cc1 ZINC000263718454 1138349079 /nfs/dbraw/zinc/34/90/79/1138349079.db2.gz AOOGTWLXKGJBFS-SFHVURJKSA-N 1 2 338.455 3.758 20 0 EHADLO Cc1c(C(=O)NCc2cn3c([nH+]2)CCCC3)oc2c1c(C)ccc2C ZINC000263733235 1138352211 /nfs/dbraw/zinc/35/22/11/1138352211.db2.gz AFJWLYVDXLYTSU-UHFFFAOYSA-N 1 2 337.423 3.821 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263935870 1138395128 /nfs/dbraw/zinc/39/51/28/1138395128.db2.gz FXWTWIJGNYLOSQ-GOSISDBHSA-N 1 2 325.456 3.872 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000128850535 1138398861 /nfs/dbraw/zinc/39/88/61/1138398861.db2.gz FYHBLYJXBGPBLS-KSSFIOAISA-N 1 2 342.443 3.705 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263981371 1138401043 /nfs/dbraw/zinc/40/10/43/1138401043.db2.gz JKFPEFXWIDZUCT-UHFFFAOYSA-N 1 2 347.462 3.991 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000264084414 1138416247 /nfs/dbraw/zinc/41/62/47/1138416247.db2.gz OOWBDWJBGXGDSM-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000264084414 1138416250 /nfs/dbraw/zinc/41/62/50/1138416250.db2.gz OOWBDWJBGXGDSM-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000129706512 1138419032 /nfs/dbraw/zinc/41/90/32/1138419032.db2.gz BWYPUJXMRQHOIW-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860898 1138425446 /nfs/dbraw/zinc/42/54/46/1138425446.db2.gz NNKXZFVMRVGEDU-MEDUHNTESA-N 1 2 330.453 3.728 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860898 1138425447 /nfs/dbraw/zinc/42/54/47/1138425447.db2.gz NNKXZFVMRVGEDU-MEDUHNTESA-N 1 2 330.453 3.728 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1)[NH+]1CCOCC1 ZINC000264207900 1138443053 /nfs/dbraw/zinc/44/30/53/1138443053.db2.gz GKZSJGDJBFSELS-DLBZAZTESA-N 1 2 343.471 3.558 20 0 EHADLO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1cccc[nH+]1 ZINC000336999163 1138445155 /nfs/dbraw/zinc/44/51/55/1138445155.db2.gz RDIFOBKHJYPTEE-UHFFFAOYSA-N 1 2 338.238 3.531 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)cn1 ZINC000337016683 1138448764 /nfs/dbraw/zinc/44/87/64/1138448764.db2.gz RMQFJLWORSNXNX-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000264246962 1138453290 /nfs/dbraw/zinc/45/32/90/1138453290.db2.gz ZLLIAZCFMOFZID-UHFFFAOYSA-N 1 2 331.847 3.898 20 0 EHADLO CC[C@H]1CCCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000264269463 1138459800 /nfs/dbraw/zinc/45/98/00/1138459800.db2.gz UMDLWMUMFXUTJX-SJORKVTESA-N 1 2 345.487 3.734 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)s1 ZINC000264301748 1138468353 /nfs/dbraw/zinc/46/83/53/1138468353.db2.gz XMGZRSBZKIPEQP-HNNXBMFYSA-N 1 2 344.480 3.631 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(F)cc1 ZINC000337122297 1138471135 /nfs/dbraw/zinc/47/11/35/1138471135.db2.gz ARTFZVWOLGTJID-UHFFFAOYSA-N 1 2 327.403 3.531 20 0 EHADLO COc1ncc(C[NH+]2CCC(=Cc3ccccc3F)CC2)c(C)n1 ZINC000337132151 1138474402 /nfs/dbraw/zinc/47/44/02/1138474402.db2.gz AIDYLOHKKHAKHP-UHFFFAOYSA-N 1 2 327.403 3.612 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337150059 1138480155 /nfs/dbraw/zinc/48/01/55/1138480155.db2.gz KOIZWSHTBWAHTB-ZACQAIPSSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264337310 1138480831 /nfs/dbraw/zinc/48/08/31/1138480831.db2.gz AAVNSUBQERCNMR-NEPJUHHUSA-N 1 2 340.254 3.573 20 0 EHADLO CC[C@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(C)cs1 ZINC000264369425 1138491322 /nfs/dbraw/zinc/49/13/22/1138491322.db2.gz LGVHILWJXPGPAP-OCCSQVGLSA-N 1 2 347.484 3.911 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)C[C@@H](C)O1 ZINC000337330282 1138535932 /nfs/dbraw/zinc/53/59/32/1138535932.db2.gz GKUXWWZSJPGTQN-BRWVUGGUSA-N 1 2 328.456 3.591 20 0 EHADLO Cn1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000264500651 1138538284 /nfs/dbraw/zinc/53/82/84/1138538284.db2.gz IERCWPABDZBCOX-NRFANRHFSA-N 1 2 333.435 3.624 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264531011 1138549217 /nfs/dbraw/zinc/54/92/17/1138549217.db2.gz IXAMRVRALVUGQD-UHFFFAOYSA-N 1 2 331.485 3.980 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264535310 1138550721 /nfs/dbraw/zinc/55/07/21/1138550721.db2.gz OVFZFAPRVFPSDD-JKSUJKDBSA-N 1 2 326.444 3.677 20 0 EHADLO CC[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(OC)cc1OC ZINC000337514621 1138591608 /nfs/dbraw/zinc/59/16/08/1138591608.db2.gz XVZNJQPAPLKHQT-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO CC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(OC)cc1OC ZINC000337514621 1138591609 /nfs/dbraw/zinc/59/16/09/1138591609.db2.gz XVZNJQPAPLKHQT-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000132857563 1138607195 /nfs/dbraw/zinc/60/71/95/1138607195.db2.gz RULFRYINRJPJNM-GJZGRUSLSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000132857563 1138607197 /nfs/dbraw/zinc/60/71/97/1138607197.db2.gz RULFRYINRJPJNM-GJZGRUSLSA-N 1 2 338.904 3.947 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1ccc2ccccc2c1 ZINC000337615366 1138621798 /nfs/dbraw/zinc/62/17/98/1138621798.db2.gz DIVQINFEPCDESV-HRAATJIYSA-N 1 2 345.446 3.511 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337626270 1138625649 /nfs/dbraw/zinc/62/56/49/1138625649.db2.gz JSLSDUQOEZVKHH-UHFFFAOYSA-N 1 2 341.361 3.813 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337631909 1138627383 /nfs/dbraw/zinc/62/73/83/1138627383.db2.gz PHWCSRPRMATSNU-IBGZPJMESA-N 1 2 347.418 3.688 20 0 EHADLO CC(C)(C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337694639 1138645451 /nfs/dbraw/zinc/64/54/51/1138645451.db2.gz XGAUBNWJZWNNGU-HNNXBMFYSA-N 1 2 332.492 3.545 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1F ZINC000264865917 1138661821 /nfs/dbraw/zinc/66/18/21/1138661821.db2.gz NHXQUTLGWIVTPL-JTQLQIEISA-N 1 2 338.308 3.738 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H](C)c1ccccc1C(F)(F)F ZINC000337884748 1138690562 /nfs/dbraw/zinc/69/05/62/1138690562.db2.gz XCISMCIOTXJIKO-WDEREUQCSA-N 1 2 349.360 3.986 20 0 EHADLO COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccncc2F)c1 ZINC000337951611 1138706098 /nfs/dbraw/zinc/70/60/98/1138706098.db2.gz ZMVFUUYFYOQZHM-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000265111925 1138732346 /nfs/dbraw/zinc/73/23/46/1138732346.db2.gz HUAJSKJDUJQHMN-UXHICEINSA-N 1 2 336.435 3.692 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000265111925 1138732350 /nfs/dbraw/zinc/73/23/50/1138732350.db2.gz HUAJSKJDUJQHMN-UXHICEINSA-N 1 2 336.435 3.692 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1nnc2n1CCC2 ZINC000265217608 1138769053 /nfs/dbraw/zinc/76/90/53/1138769053.db2.gz WEGBVMCLLWZXGE-NSHDSACASA-N 1 2 344.365 3.613 20 0 EHADLO CCn1c(C)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1C ZINC000338262779 1138805785 /nfs/dbraw/zinc/80/57/85/1138805785.db2.gz SVOPKMDFVIDUBX-GOSISDBHSA-N 1 2 345.874 3.565 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000338287782 1138817153 /nfs/dbraw/zinc/81/71/53/1138817153.db2.gz VYSQDNJRTVYZQE-UHFFFAOYSA-N 1 2 349.276 3.575 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C)on2)CC2CCC2)c(OC)c1 ZINC000338327651 1138835303 /nfs/dbraw/zinc/83/53/03/1138835303.db2.gz GLVVOVBJHYIQCV-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C)on2)CC2CCC2)c(OC)c1 ZINC000338327651 1138835308 /nfs/dbraw/zinc/83/53/08/1138835308.db2.gz GLVVOVBJHYIQCV-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO COc1cc([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc(OC)c1OC ZINC000265388515 1138846832 /nfs/dbraw/zinc/84/68/32/1138846832.db2.gz SUCQSDWSMZQBPB-GFCCVEGCSA-N 1 2 343.427 3.861 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccncc1F ZINC000338361014 1138855343 /nfs/dbraw/zinc/85/53/43/1138855343.db2.gz YSWDQHIFSPPOIR-SECBINFHSA-N 1 2 349.207 3.710 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cs1 ZINC000338363595 1138858562 /nfs/dbraw/zinc/85/85/62/1138858562.db2.gz XOFPXKNZOWBCJF-GFCCVEGCSA-N 1 2 334.407 3.844 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cs1 ZINC000338363595 1138858567 /nfs/dbraw/zinc/85/85/67/1138858567.db2.gz XOFPXKNZOWBCJF-GFCCVEGCSA-N 1 2 334.407 3.844 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000338470411 1138930312 /nfs/dbraw/zinc/93/03/12/1138930312.db2.gz SXHALMXBIGESJG-HUUCEWRRSA-N 1 2 344.434 3.637 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccnc3)n2)cc1F ZINC000151105561 1139008981 /nfs/dbraw/zinc/00/89/81/1139008981.db2.gz UGLZOGBEXGCSQA-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000153447206 1139136900 /nfs/dbraw/zinc/13/69/00/1139136900.db2.gz XKJVDNRTJHJPIR-OAHLLOKOSA-N 1 2 339.464 3.986 20 0 EHADLO C[C@H](C(=O)Nc1ccc(CCC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000153494016 1139139081 /nfs/dbraw/zinc/13/90/81/1139139081.db2.gz HYIKINLRFZKZMA-GFCCVEGCSA-N 1 2 346.418 3.557 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000153590797 1139143845 /nfs/dbraw/zinc/14/38/45/1139143845.db2.gz BBFNYYBZCNOFSM-HUUCEWRRSA-N 1 2 346.500 3.515 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889369601 1139196343 /nfs/dbraw/zinc/19/63/43/1139196343.db2.gz IVAOOIJWLBIELG-JFIYKMOQSA-N 1 2 330.476 3.539 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CCC=CCCC1 ZINC000890050300 1139306803 /nfs/dbraw/zinc/30/68/03/1139306803.db2.gz ULGAJYYJBYLKEP-GOSISDBHSA-N 1 2 337.467 3.727 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175138277 1139466527 /nfs/dbraw/zinc/46/65/27/1139466527.db2.gz NZJJLLMJBNBMKH-SFHVURJKSA-N 1 2 341.455 3.590 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175138277 1139466532 /nfs/dbraw/zinc/46/65/32/1139466532.db2.gz NZJJLLMJBNBMKH-SFHVURJKSA-N 1 2 341.455 3.590 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000175181776 1139470093 /nfs/dbraw/zinc/47/00/93/1139470093.db2.gz HXAALPPIZGVDLJ-QZTJIDSGSA-N 1 2 342.487 3.546 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000175234459 1139474752 /nfs/dbraw/zinc/47/47/52/1139474752.db2.gz KYTZZEIHOFPZOH-VXGBXAGGSA-N 1 2 335.498 3.851 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000175617636 1139503745 /nfs/dbraw/zinc/50/37/45/1139503745.db2.gz FCRFHDQGPHHWCK-IYBDPMFKSA-N 1 2 342.439 3.758 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000175617636 1139503750 /nfs/dbraw/zinc/50/37/50/1139503750.db2.gz FCRFHDQGPHHWCK-IYBDPMFKSA-N 1 2 342.439 3.758 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177759693 1139638306 /nfs/dbraw/zinc/63/83/06/1139638306.db2.gz GUMDJAOUPQARTD-MRXNPFEDSA-N 1 2 348.450 3.845 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177791137 1139641963 /nfs/dbraw/zinc/64/19/63/1139641963.db2.gz OFTBHOLSNVZSJW-GOSISDBHSA-N 1 2 334.423 3.689 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178924191 1139725825 /nfs/dbraw/zinc/72/58/25/1139725825.db2.gz AWPDFRFQZOHJTM-IAGOWNOFSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000179426170 1139755919 /nfs/dbraw/zinc/75/59/19/1139755919.db2.gz QIMIBPNEMDGFLJ-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000179426170 1139755925 /nfs/dbraw/zinc/75/59/25/1139755925.db2.gz QIMIBPNEMDGFLJ-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ccon2)ccc1OCc1ccncc1 ZINC000179703336 1139775760 /nfs/dbraw/zinc/77/57/60/1139775760.db2.gz XUBOEJNKKJDEEH-CQSZACIVSA-N 1 2 339.395 3.508 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180284599 1139824280 /nfs/dbraw/zinc/82/42/80/1139824280.db2.gz WFGGNTBQLSILJX-SJKOYZFVSA-N 1 2 333.407 3.937 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nnc4n3CCCCC4)oc21 ZINC000181409659 1139904983 /nfs/dbraw/zinc/90/49/83/1139904983.db2.gz QISWCTBCFLOZHI-ZDUSSCGKSA-N 1 2 340.427 3.610 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cn(C)nc1-c1ccncc1 ZINC000181479150 1139909162 /nfs/dbraw/zinc/90/91/62/1139909162.db2.gz ZSJLMALBEOQMHF-UHFFFAOYSA-N 1 2 346.438 3.854 20 0 EHADLO COC[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000181704710 1139925933 /nfs/dbraw/zinc/92/59/33/1139925933.db2.gz DUNDSKKGINIPIP-NRFANRHFSA-N 1 2 347.462 3.838 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000182344049 1139966903 /nfs/dbraw/zinc/96/69/03/1139966903.db2.gz XQSLEUGVKNIQIR-OAHLLOKOSA-N 1 2 327.428 3.683 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000182344049 1139966905 /nfs/dbraw/zinc/96/69/05/1139966905.db2.gz XQSLEUGVKNIQIR-OAHLLOKOSA-N 1 2 327.428 3.683 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000182957312 1140003944 /nfs/dbraw/zinc/00/39/44/1140003944.db2.gz DPMAINJKLWCXAH-HNNXBMFYSA-N 1 2 333.439 3.823 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000182957312 1140003948 /nfs/dbraw/zinc/00/39/48/1140003948.db2.gz DPMAINJKLWCXAH-HNNXBMFYSA-N 1 2 333.439 3.823 20 0 EHADLO Cc1ncc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)n1 ZINC000183066977 1140010853 /nfs/dbraw/zinc/01/08/53/1140010853.db2.gz YKXPBZFBDUKXAT-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183117699 1140014671 /nfs/dbraw/zinc/01/46/71/1140014671.db2.gz CKAALKORWLHTAC-ZHRRBRCNSA-N 1 2 336.526 3.695 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)s2)o1 ZINC000183180529 1140018406 /nfs/dbraw/zinc/01/84/06/1140018406.db2.gz ZMTHFQZHRBPTHN-GFCCVEGCSA-N 1 2 329.425 3.579 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183855907 1140061590 /nfs/dbraw/zinc/06/15/90/1140061590.db2.gz IIVDCMVLWSHXRO-LLVKDONJSA-N 1 2 333.505 3.528 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183855922 1140061787 /nfs/dbraw/zinc/06/17/87/1140061787.db2.gz IIVDCMVLWSHXRO-NSHDSACASA-N 1 2 333.505 3.528 20 0 EHADLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183919323 1140065307 /nfs/dbraw/zinc/06/53/07/1140065307.db2.gz QPYHYRVGHYRZMY-UHFFFAOYSA-N 1 2 348.368 3.721 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1C)c1ccco1 ZINC000184619433 1140111432 /nfs/dbraw/zinc/11/14/32/1140111432.db2.gz CVVBWCBRPDWDKP-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cs1 ZINC000184678269 1140114500 /nfs/dbraw/zinc/11/45/00/1140114500.db2.gz JWVWLQOICBVJTM-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cs1 ZINC000184722227 1140117660 /nfs/dbraw/zinc/11/76/60/1140117660.db2.gz OGKWTWMFDFUBMY-UKRRQHHQSA-N 1 2 329.469 3.723 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@@H](C)c3cccc(F)c3F)on2)cnn1C ZINC000184734563 1140118372 /nfs/dbraw/zinc/11/83/72/1140118372.db2.gz NQCOEMUJCJKCEK-JTQLQIEISA-N 1 2 332.354 3.513 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccccc2OC(F)F)o1 ZINC000184778753 1140119746 /nfs/dbraw/zinc/11/97/46/1140119746.db2.gz OTSQONBBUJGKLE-AWEZNQCLSA-N 1 2 325.355 3.921 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)CC(C)C ZINC000185423758 1140149662 /nfs/dbraw/zinc/14/96/62/1140149662.db2.gz DTUYPXXSVXPAAV-QGZVFWFLSA-N 1 2 331.504 3.829 20 0 EHADLO C[C@H](CNC(=O)CC1(CSc2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000185811920 1140171471 /nfs/dbraw/zinc/17/14/71/1140171471.db2.gz KSTPKQYEFQWCOH-MRXNPFEDSA-N 1 2 343.496 3.598 20 0 EHADLO COCC1=CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000185839788 1140173159 /nfs/dbraw/zinc/17/31/59/1140173159.db2.gz BXBQQTRRQFDDKI-UHFFFAOYSA-N 1 2 336.407 3.867 20 0 EHADLO COCC1=CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000185839788 1140173162 /nfs/dbraw/zinc/17/31/62/1140173162.db2.gz BXBQQTRRQFDDKI-UHFFFAOYSA-N 1 2 336.407 3.867 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185918550 1140177344 /nfs/dbraw/zinc/17/73/44/1140177344.db2.gz SFGOIQKSGALFOM-LLVKDONJSA-N 1 2 349.422 3.605 20 0 EHADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000186437991 1140204258 /nfs/dbraw/zinc/20/42/58/1140204258.db2.gz CHVLOTRQBUXCMW-MRXNPFEDSA-N 1 2 336.439 3.851 20 0 EHADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000190040783 1140382240 /nfs/dbraw/zinc/38/22/40/1140382240.db2.gz BNGZEIPEAWSYAK-SFHVURJKSA-N 1 2 333.334 3.506 20 0 EHADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000190040783 1140382250 /nfs/dbraw/zinc/38/22/50/1140382250.db2.gz BNGZEIPEAWSYAK-SFHVURJKSA-N 1 2 333.334 3.506 20 0 EHADLO COC(=O)C1CCC([NH2+]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190302650 1140397781 /nfs/dbraw/zinc/39/77/81/1140397781.db2.gz NDLROHDLTDYUGL-YHRBYZFPSA-N 1 2 328.456 3.819 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c(Cl)c1 ZINC000190420581 1140402806 /nfs/dbraw/zinc/40/28/06/1140402806.db2.gz ZCUVLGJXUUTSGP-LBPRGKRZSA-N 1 2 326.893 3.580 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c(Cl)c1 ZINC000190420581 1140402810 /nfs/dbraw/zinc/40/28/10/1140402810.db2.gz ZCUVLGJXUUTSGP-LBPRGKRZSA-N 1 2 326.893 3.580 20 0 EHADLO C[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000190470079 1140406451 /nfs/dbraw/zinc/40/64/51/1140406451.db2.gz QZMRPTNUIBAIGA-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000190470079 1140406453 /nfs/dbraw/zinc/40/64/53/1140406453.db2.gz QZMRPTNUIBAIGA-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191312284 1140453504 /nfs/dbraw/zinc/45/35/04/1140453504.db2.gz KBTOVHOYDXHQBL-HNNXBMFYSA-N 1 2 330.476 3.809 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000191561236 1140472194 /nfs/dbraw/zinc/47/21/94/1140472194.db2.gz MEPGOFDDLYAJPU-HNNXBMFYSA-N 1 2 334.851 3.690 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnc(Cl)cc1C ZINC000191917616 1140492613 /nfs/dbraw/zinc/49/26/13/1140492613.db2.gz ASEQOTYIAYULTF-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC000192246365 1140514248 /nfs/dbraw/zinc/51/42/48/1140514248.db2.gz ZSNUAUNJKRLYNE-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnc(SCC)c1 ZINC000192258797 1140516488 /nfs/dbraw/zinc/51/64/88/1140516488.db2.gz VREUBOCWXWAXAV-UHFFFAOYSA-N 1 2 346.500 3.505 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CSc2ccccc21 ZINC000192261154 1140516842 /nfs/dbraw/zinc/51/68/42/1140516842.db2.gz KHZCMFLRSZCKDJ-INIZCTEOSA-N 1 2 343.496 3.574 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccoc2Cl)C[C@H](C)O1 ZINC000192279248 1140518489 /nfs/dbraw/zinc/51/84/89/1140518489.db2.gz WJTXYQVBZCWPOA-BETUJISGSA-N 1 2 348.830 3.795 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccoc2Cl)C[C@H](C)O1 ZINC000192279248 1140518493 /nfs/dbraw/zinc/51/84/93/1140518493.db2.gz WJTXYQVBZCWPOA-BETUJISGSA-N 1 2 348.830 3.795 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000193165628 1140566110 /nfs/dbraw/zinc/56/61/10/1140566110.db2.gz KTBOVVVLNMVDJD-SFHVURJKSA-N 1 2 331.847 3.664 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000193513766 1140577718 /nfs/dbraw/zinc/57/77/18/1140577718.db2.gz RBKMYDRXYKPDFI-HNNXBMFYSA-N 1 2 336.867 3.837 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(Cl)cc1 ZINC000193667321 1140582688 /nfs/dbraw/zinc/58/26/88/1140582688.db2.gz LHMBBHHBRZLCGA-KRWDZBQOSA-N 1 2 329.831 3.773 20 0 EHADLO CCN(CC)C(=O)c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000195060655 1140629098 /nfs/dbraw/zinc/62/90/98/1140629098.db2.gz GQEMNPGJBFPWFO-UHFFFAOYSA-N 1 2 336.439 3.737 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000266134927 1140645220 /nfs/dbraw/zinc/64/52/20/1140645220.db2.gz FIGHGMYNOBXGNR-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000267033542 1140752380 /nfs/dbraw/zinc/75/23/80/1140752380.db2.gz BOWRIWIDZWTYQZ-UHFFFAOYSA-N 1 2 342.226 3.500 20 0 EHADLO Fc1cc(Br)cc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267451703 1140793012 /nfs/dbraw/zinc/79/30/12/1140793012.db2.gz ROJIVLFIERRDGV-GFCCVEGCSA-N 1 2 338.224 3.691 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cs1 ZINC000267656109 1140816194 /nfs/dbraw/zinc/81/61/94/1140816194.db2.gz VSUQDKCBJDCZJN-GFCCVEGCSA-N 1 2 328.441 3.530 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267776267 1140832113 /nfs/dbraw/zinc/83/21/13/1140832113.db2.gz LRWHJWRSVMOURD-HNNXBMFYSA-N 1 2 333.476 3.780 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000268361066 1140927711 /nfs/dbraw/zinc/92/77/11/1140927711.db2.gz GZUXCWSTDPUFGC-HZPDHXFCSA-N 1 2 347.459 3.874 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000268361066 1140927715 /nfs/dbraw/zinc/92/77/15/1140927715.db2.gz GZUXCWSTDPUFGC-HZPDHXFCSA-N 1 2 347.459 3.874 20 0 EHADLO Cc1ccc([C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000268490410 1140946802 /nfs/dbraw/zinc/94/68/02/1140946802.db2.gz DLOQUVOKAQAQSJ-IBGZPJMESA-N 1 2 334.423 3.593 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3nc(C(C)C)cs3)ccc2[nH+]1 ZINC000268776609 1140989396 /nfs/dbraw/zinc/98/93/96/1140989396.db2.gz WDORRTLHSDRQNZ-UHFFFAOYSA-N 1 2 329.429 3.544 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c(OCCC)c1 ZINC000268929014 1141027919 /nfs/dbraw/zinc/02/79/19/1141027919.db2.gz SHNAKYYDLVDLSZ-HUUCEWRRSA-N 1 2 346.475 3.805 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nccn2C)c(OCCC)c1 ZINC000268958619 1141034329 /nfs/dbraw/zinc/03/43/29/1141034329.db2.gz ZJOIHSCHBUZHEI-OAHLLOKOSA-N 1 2 331.460 3.849 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc(CC(C)C)s2)cs1 ZINC000269430592 1141107665 /nfs/dbraw/zinc/10/76/65/1141107665.db2.gz PIXOUMAKYHEVRU-NSHDSACASA-N 1 2 325.503 3.795 20 0 EHADLO CCSc1ccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000269820753 1141147359 /nfs/dbraw/zinc/14/73/59/1141147359.db2.gz PBYNVTVMDVLZHR-QAPCUYQASA-N 1 2 343.496 3.647 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269864412 1141152023 /nfs/dbraw/zinc/15/20/23/1141152023.db2.gz WNGDSBZXLJXLHI-OAHLLOKOSA-N 1 2 341.459 3.504 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c(OC)c1 ZINC000269877940 1141153547 /nfs/dbraw/zinc/15/35/47/1141153547.db2.gz XMUMVRXOKWERLN-MRXNPFEDSA-N 1 2 349.377 3.768 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270037086 1141171548 /nfs/dbraw/zinc/17/15/48/1141171548.db2.gz RGZNJAISVLXBDR-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC=C(C)CC1 ZINC000270093832 1141178595 /nfs/dbraw/zinc/17/85/95/1141178595.db2.gz AWCJYKJNFPNQTK-UHFFFAOYSA-N 1 2 326.396 3.670 20 0 EHADLO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC=C(C)CC1 ZINC000270093832 1141178599 /nfs/dbraw/zinc/17/85/99/1141178599.db2.gz AWCJYKJNFPNQTK-UHFFFAOYSA-N 1 2 326.396 3.670 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270149699 1141185072 /nfs/dbraw/zinc/18/50/72/1141185072.db2.gz VFOVJZFTJUYVGY-JSGCOSHPSA-N 1 2 349.504 3.563 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270711710 1141260085 /nfs/dbraw/zinc/26/00/85/1141260085.db2.gz OQDTUKPURVTHCP-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734700 1141264194 /nfs/dbraw/zinc/26/41/94/1141264194.db2.gz VOODRUXOQMBAFV-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734700 1141264198 /nfs/dbraw/zinc/26/41/98/1141264198.db2.gz VOODRUXOQMBAFV-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1F ZINC000270740243 1141264912 /nfs/dbraw/zinc/26/49/12/1141264912.db2.gz XFSIINLLPUKHKQ-AEFFLSMTSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1F ZINC000270740243 1141264916 /nfs/dbraw/zinc/26/49/16/1141264916.db2.gz XFSIINLLPUKHKQ-AEFFLSMTSA-N 1 2 348.368 3.588 20 0 EHADLO COCCn1cc(C[N@H+](Cc2ccco2)Cc2ccc(C)s2)cn1 ZINC000271217277 1141326927 /nfs/dbraw/zinc/32/69/27/1141326927.db2.gz YBBRFAWJDGIMHE-UHFFFAOYSA-N 1 2 345.468 3.695 20 0 EHADLO COCCn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C)s2)cn1 ZINC000271217277 1141326931 /nfs/dbraw/zinc/32/69/31/1141326931.db2.gz YBBRFAWJDGIMHE-UHFFFAOYSA-N 1 2 345.468 3.695 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)[nH]1 ZINC000271395479 1141356855 /nfs/dbraw/zinc/35/68/55/1141356855.db2.gz UUZDKEUZZOYKJK-LLVKDONJSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)[nH]1 ZINC000271395479 1141356858 /nfs/dbraw/zinc/35/68/58/1141356858.db2.gz UUZDKEUZZOYKJK-LLVKDONJSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)n1 ZINC000271395479 1141356862 /nfs/dbraw/zinc/35/68/62/1141356862.db2.gz UUZDKEUZZOYKJK-LLVKDONJSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)n1 ZINC000271395479 1141356867 /nfs/dbraw/zinc/35/68/67/1141356867.db2.gz UUZDKEUZZOYKJK-LLVKDONJSA-N 1 2 342.340 3.651 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1cn[nH]c1 ZINC000274133567 1141478390 /nfs/dbraw/zinc/47/83/90/1141478390.db2.gz WNYWVKWEINWKNY-LLVKDONJSA-N 1 2 332.860 3.961 20 0 EHADLO Cc1c(-c2cc(C[NH2+][C@@H](C)c3c(F)cccc3F)on2)cnn1C ZINC000274369292 1141506162 /nfs/dbraw/zinc/50/61/62/1141506162.db2.gz ZUBVUIRRFHIZHD-JTQLQIEISA-N 1 2 332.354 3.513 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccc(F)cn1 ZINC000339174391 1141517844 /nfs/dbraw/zinc/51/78/44/1141517844.db2.gz VJLMPWFWAQKLGO-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CC1=CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000339195328 1141524506 /nfs/dbraw/zinc/52/45/06/1141524506.db2.gz LMEYEKQODUGOLW-AWEZNQCLSA-N 1 2 334.489 3.559 20 0 EHADLO CC1=CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000339195328 1141524509 /nfs/dbraw/zinc/52/45/09/1141524509.db2.gz LMEYEKQODUGOLW-AWEZNQCLSA-N 1 2 334.489 3.559 20 0 EHADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431798 1141527409 /nfs/dbraw/zinc/52/74/09/1141527409.db2.gz GZPRCNWYCKNNIZ-GOEBONIOSA-N 1 2 340.475 3.583 20 0 EHADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000274431798 1141527412 /nfs/dbraw/zinc/52/74/12/1141527412.db2.gz GZPRCNWYCKNNIZ-GOEBONIOSA-N 1 2 340.475 3.583 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217405 1141531397 /nfs/dbraw/zinc/53/13/97/1141531397.db2.gz CHZCBXAUZIGGDF-KBXCAEBGSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000339217405 1141531401 /nfs/dbraw/zinc/53/14/01/1141531401.db2.gz CHZCBXAUZIGGDF-KBXCAEBGSA-N 1 2 345.512 3.929 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCCCCCCOc1ccc(Cl)cc1 ZINC000274476499 1141539594 /nfs/dbraw/zinc/53/95/94/1141539594.db2.gz QOTVLNWELSCNSF-UHFFFAOYSA-N 1 2 349.862 3.682 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2ccccc2)C1 ZINC000348881760 1141603109 /nfs/dbraw/zinc/60/31/09/1141603109.db2.gz SCCGZDBDWAPWKN-NRFANRHFSA-N 1 2 345.446 3.951 20 0 EHADLO Fc1cc(C[N@H+]2CCCN(CC(F)F)CC2)cc(C(F)(F)F)c1 ZINC000349131536 1141643411 /nfs/dbraw/zinc/64/34/11/1141643411.db2.gz PYBINQHVAYWBTK-UHFFFAOYSA-N 1 2 340.311 3.617 20 0 EHADLO Fc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)cc(C(F)(F)F)c1 ZINC000349131536 1141643413 /nfs/dbraw/zinc/64/34/13/1141643413.db2.gz PYBINQHVAYWBTK-UHFFFAOYSA-N 1 2 340.311 3.617 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cccc(F)c1 ZINC000098081297 219080487 /nfs/dbraw/zinc/08/04/87/219080487.db2.gz INQVYWRDELCTLX-IBGZPJMESA-N 1 2 328.431 3.867 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(F)c1 ZINC000098081297 219080490 /nfs/dbraw/zinc/08/04/90/219080490.db2.gz INQVYWRDELCTLX-IBGZPJMESA-N 1 2 328.431 3.867 20 0 EHADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736093 212393420 /nfs/dbraw/zinc/39/34/20/212393420.db2.gz YNNKERMLLANLCM-UHFFFAOYSA-N 1 2 336.460 3.859 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(F)cc1F ZINC000022964952 212339636 /nfs/dbraw/zinc/33/96/36/212339636.db2.gz GMNUBOINUAYGPZ-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(F)cc1F ZINC000022964952 212339638 /nfs/dbraw/zinc/33/96/38/212339638.db2.gz GMNUBOINUAYGPZ-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO Cc1ccccc1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291716 212288670 /nfs/dbraw/zinc/28/86/70/212288670.db2.gz UKPIIMQQAWMAMD-UHFFFAOYSA-N 1 2 343.496 3.865 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026343 217272606 /nfs/dbraw/zinc/27/26/06/217272606.db2.gz IALMHOVMOBKHQO-AWEZNQCLSA-N 1 2 334.379 3.747 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026343 217272610 /nfs/dbraw/zinc/27/26/10/217272610.db2.gz IALMHOVMOBKHQO-AWEZNQCLSA-N 1 2 334.379 3.747 20 0 EHADLO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000097513684 219031448 /nfs/dbraw/zinc/03/14/48/219031448.db2.gz UGPHXGGJYFQSSF-DAXSKMNVSA-N 1 2 345.446 3.639 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000123228387 222238994 /nfs/dbraw/zinc/23/89/94/222238994.db2.gz ORCGQPKRLTXLMV-JTQLQIEISA-N 1 2 342.226 3.921 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000123228387 222238996 /nfs/dbraw/zinc/23/89/96/222238996.db2.gz ORCGQPKRLTXLMV-JTQLQIEISA-N 1 2 342.226 3.921 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000027557426 518359635 /nfs/dbraw/zinc/35/96/35/518359635.db2.gz KXYZKAJDBNEIJD-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000027557426 518359641 /nfs/dbraw/zinc/35/96/41/518359641.db2.gz KXYZKAJDBNEIJD-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286070113 563642970 /nfs/dbraw/zinc/64/29/70/563642970.db2.gz CVNCDOQUTPKOFZ-HZPDHXFCSA-N 1 2 346.431 3.507 20 0 EHADLO CCc1noc(C)c1C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286070113 563642973 /nfs/dbraw/zinc/64/29/73/563642973.db2.gz CVNCDOQUTPKOFZ-HZPDHXFCSA-N 1 2 346.431 3.507 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000833347768 601383395 /nfs/dbraw/zinc/38/33/95/601383395.db2.gz RYUYAPZOVDZPAN-GFCCVEGCSA-N 1 2 341.436 3.702 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000833347768 601383397 /nfs/dbraw/zinc/38/33/97/601383397.db2.gz RYUYAPZOVDZPAN-GFCCVEGCSA-N 1 2 341.436 3.702 20 0 EHADLO CC(C)c1cc(NCc2cccc(-c3nn[nH]n3)c2)nc(C(C)C)[nH+]1 ZINC000824347758 608047988 /nfs/dbraw/zinc/04/79/88/608047988.db2.gz MUNWUJWPBIBEGA-UHFFFAOYSA-N 1 2 337.431 3.516 20 0 EHADLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000826298578 608527515 /nfs/dbraw/zinc/52/75/15/608527515.db2.gz ZRWOWIMNALWQPZ-UHFFFAOYSA-N 1 2 349.394 3.564 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000826298578 608527516 /nfs/dbraw/zinc/52/75/16/608527516.db2.gz ZRWOWIMNALWQPZ-UHFFFAOYSA-N 1 2 349.394 3.564 20 0 EHADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1F ZINC000824293856 608532335 /nfs/dbraw/zinc/53/23/35/608532335.db2.gz ZVALILXBUZXSTH-UHFFFAOYSA-N 1 2 343.381 3.556 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1F ZINC000824293856 608532336 /nfs/dbraw/zinc/53/23/36/608532336.db2.gz ZVALILXBUZXSTH-UHFFFAOYSA-N 1 2 343.381 3.556 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1c(F)cccc1F ZINC000824532233 609134808 /nfs/dbraw/zinc/13/48/08/609134808.db2.gz SUINGRAIMKVLGP-VHSXEESVSA-N 1 2 347.344 3.696 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824606554 609332192 /nfs/dbraw/zinc/33/21/92/609332192.db2.gz QAGUSUABLFBGFV-VIFPVBQESA-N 1 2 349.772 3.649 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@H](c2ccccc2)C(CC)CC)n1 ZINC000459394017 1032058191 /nfs/dbraw/zinc/05/81/91/1032058191.db2.gz NJAHBSTXTJHENF-INIZCTEOSA-N 1 2 331.416 3.513 20 0 EHADLO C[N@H+](Cc1ncc(Cl)cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000305795420 1125465498 /nfs/dbraw/zinc/46/54/98/1125465498.db2.gz DVNXBIZWODOELT-INIZCTEOSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1ncc(Cl)cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000305795420 1125465499 /nfs/dbraw/zinc/46/54/99/1125465499.db2.gz DVNXBIZWODOELT-INIZCTEOSA-N 1 2 325.239 3.944 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001588748771 961205670 /nfs/dbraw/zinc/20/56/70/961205670.db2.gz VFMHAMRSJJZBQP-KRWDZBQOSA-N 1 2 341.455 3.716 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001588748771 961205684 /nfs/dbraw/zinc/20/56/84/961205684.db2.gz VFMHAMRSJJZBQP-KRWDZBQOSA-N 1 2 341.455 3.716 20 0 EHADLO Cc1ccnc(C[NH2+]Cc2cnc(Cl)s2)c1Br ZINC000895152846 1025193833 /nfs/dbraw/zinc/19/38/33/1025193833.db2.gz YDMNIXORDZNJGT-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO C[C@@H](C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037017 1032081482 /nfs/dbraw/zinc/08/14/82/1032081482.db2.gz WULBLSOUFKMPBN-DJJJIMSYSA-N 1 2 333.378 3.847 20 0 EHADLO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037017 1032081493 /nfs/dbraw/zinc/08/14/93/1032081493.db2.gz WULBLSOUFKMPBN-DJJJIMSYSA-N 1 2 333.378 3.847 20 0 EHADLO COc1ccc(Cc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000118166377 1032082565 /nfs/dbraw/zinc/08/25/65/1032082565.db2.gz CBWJFMAWJWOXCR-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)n2)s1 ZINC000654760833 1014362099 /nfs/dbraw/zinc/36/20/99/1014362099.db2.gz YPAASBFYXUBRQK-SNVBAGLBSA-N 1 2 346.481 3.974 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)n2)s1 ZINC000654760833 1014362106 /nfs/dbraw/zinc/36/21/06/1014362106.db2.gz YPAASBFYXUBRQK-SNVBAGLBSA-N 1 2 346.481 3.974 20 0 EHADLO Cc1csc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1Br ZINC000683118277 1014390109 /nfs/dbraw/zinc/39/01/09/1014390109.db2.gz YOBVPFDLWTXJJS-UHFFFAOYSA-N 1 2 340.246 3.532 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000339434244 1014432012 /nfs/dbraw/zinc/43/20/12/1014432012.db2.gz RZRNTCQXDPFPQT-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO Clc1cccc(N2CCOCC2)c1C[NH+]1Cc2ccccc2C1 ZINC000449022392 1032093097 /nfs/dbraw/zinc/09/30/97/1032093097.db2.gz ISGGRKZRMTZANW-UHFFFAOYSA-N 1 2 328.843 3.692 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339471919 1014537672 /nfs/dbraw/zinc/53/76/72/1014537672.db2.gz WXZSKAMMSQGEQV-INIZCTEOSA-N 1 2 332.492 3.696 20 0 EHADLO C(=C\C1CCCC1)\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497415 1032095132 /nfs/dbraw/zinc/09/51/32/1032095132.db2.gz MCBUOUKGHXMCIX-HJWRWDBZSA-N 1 2 339.439 3.772 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000339521995 1014694136 /nfs/dbraw/zinc/69/41/36/1014694136.db2.gz ZDQYKQFIBMYJCO-UHFFFAOYSA-N 1 2 325.378 3.962 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654996615 1014764537 /nfs/dbraw/zinc/76/45/37/1014764537.db2.gz IZNBQXILKGUJBL-ZFWWWQNUSA-N 1 2 335.398 3.502 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3[C@@H]4Cc5c(cccc5Cl)[C@@H]43)ccc2[nH+]1 ZINC000528343974 1032104087 /nfs/dbraw/zinc/10/40/87/1032104087.db2.gz FVXCSOKFUUMQFE-FHLIZLRMSA-N 1 2 337.810 3.821 20 0 EHADLO CCOC(=O)c1nc(Cl)nc(Cl)c1Nc1c[nH+]c(C)cc1C ZINC001213508239 1014843397 /nfs/dbraw/zinc/84/33/97/1014843397.db2.gz NYPVDLWWTAAHLC-UHFFFAOYSA-N 1 2 341.198 3.716 20 0 EHADLO COC(=O)c1c(Cl)cc(Cl)nc1Nc1c[nH+]c(C)cc1C ZINC001213508290 1014843660 /nfs/dbraw/zinc/84/36/60/1014843660.db2.gz OXNCJSUQXWNPQT-UHFFFAOYSA-N 1 2 326.183 3.930 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC(C)(C)C)C[C@H](C)O1 ZINC000047063066 1014861427 /nfs/dbraw/zinc/86/14/27/1014861427.db2.gz XGYASZYUQVYSDI-HOTGVXAUSA-N 1 2 347.503 3.854 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc1F ZINC000008152642 1015013642 /nfs/dbraw/zinc/01/36/42/1015013642.db2.gz BDYQVVNPPAQOEI-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc1F ZINC000008152642 1015013654 /nfs/dbraw/zinc/01/36/54/1015013654.db2.gz BDYQVVNPPAQOEI-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127805043 1015123976 /nfs/dbraw/zinc/12/39/76/1015123976.db2.gz PUADRGMAMCJFKF-BBRMVZONSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127804810 1015130747 /nfs/dbraw/zinc/13/07/47/1015130747.db2.gz PUADRGMAMCJFKF-CZUORRHYSA-N 1 2 332.835 3.960 20 0 EHADLO C[C@@H](CC(=O)N[C@H](CC(F)(F)F)c1ccccc1)n1cc[nH+]c1 ZINC000579838909 1015155295 /nfs/dbraw/zinc/15/52/95/1015155295.db2.gz DTSJKXNLNBPPBA-GXTWGEPZSA-N 1 2 325.334 3.644 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000154229361 1015252386 /nfs/dbraw/zinc/25/23/86/1015252386.db2.gz NDQBWVNCTFMXPL-VXIBKDFQSA-N 1 2 340.471 3.668 20 0 EHADLO CC[C@H]1c2ccccc2CN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000890615610 1015280607 /nfs/dbraw/zinc/28/06/07/1015280607.db2.gz XZUCBNMPQUYGOP-LSDHHAIUSA-N 1 2 337.345 3.870 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(Br)cc1 ZINC000471182849 1015336551 /nfs/dbraw/zinc/33/65/51/1015336551.db2.gz ULYHLYHUDFTOAO-MRXNPFEDSA-N 1 2 345.240 3.835 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(Br)cc1 ZINC000471182849 1015336555 /nfs/dbraw/zinc/33/65/55/1015336555.db2.gz ULYHLYHUDFTOAO-MRXNPFEDSA-N 1 2 345.240 3.835 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2Cc3cc(C)ccc3CC2(C)C)cs1 ZINC000339637364 1015442021 /nfs/dbraw/zinc/44/20/21/1015442021.db2.gz YVSLLHHHEKJYMV-UHFFFAOYSA-N 1 2 329.469 3.747 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2Cc3cc(C)ccc3CC2(C)C)cs1 ZINC000339637364 1015442029 /nfs/dbraw/zinc/44/20/29/1015442029.db2.gz YVSLLHHHEKJYMV-UHFFFAOYSA-N 1 2 329.469 3.747 20 0 EHADLO C[C@@H]1CCC[N@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)CC1 ZINC000748084933 1015480121 /nfs/dbraw/zinc/48/01/21/1015480121.db2.gz ZYLBKAKYHVGONE-MRXNPFEDSA-N 1 2 348.446 3.962 20 0 EHADLO C[C@@H]1CCC[N@@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)CC1 ZINC000748084933 1015480128 /nfs/dbraw/zinc/48/01/28/1015480128.db2.gz ZYLBKAKYHVGONE-MRXNPFEDSA-N 1 2 348.446 3.962 20 0 EHADLO Cc1ccnc(C[NH2+]C2(c3cccc(Br)c3)CCC2)n1 ZINC000339666106 1015487519 /nfs/dbraw/zinc/48/75/19/1015487519.db2.gz QKJOUHPPWRQALW-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO Cc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000339670106 1015491216 /nfs/dbraw/zinc/49/12/16/1015491216.db2.gz KZNIFPMTEBIARB-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO CC(C)c1ocnc1C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000092795565 1015503413 /nfs/dbraw/zinc/50/34/13/1015503413.db2.gz XIABLHTURQOHLW-AWEZNQCLSA-N 1 2 337.464 3.677 20 0 EHADLO CC(C)c1ocnc1C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000092795565 1015503426 /nfs/dbraw/zinc/50/34/26/1015503426.db2.gz XIABLHTURQOHLW-AWEZNQCLSA-N 1 2 337.464 3.677 20 0 EHADLO c1cn(-c2ccc(Cc3nc(CCc4ccccc4)no3)cc2)c[nH+]1 ZINC000904580228 1032119065 /nfs/dbraw/zinc/11/90/65/1032119065.db2.gz OJNIYJIMTFMINE-UHFFFAOYSA-N 1 2 330.391 3.631 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(Br)s1)CC(C)C ZINC000109315860 1015616729 /nfs/dbraw/zinc/61/67/29/1015616729.db2.gz MPNFOQJGYIBEMS-UHFFFAOYSA-N 1 2 334.279 3.532 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(Br)s1)CC(C)C ZINC000109315860 1015616735 /nfs/dbraw/zinc/61/67/35/1015616735.db2.gz MPNFOQJGYIBEMS-UHFFFAOYSA-N 1 2 334.279 3.532 20 0 EHADLO Brc1ccccc1C[C@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000339800021 1015689133 /nfs/dbraw/zinc/68/91/33/1015689133.db2.gz CNTWLLNYDBSMSR-OAHLLOKOSA-N 1 2 346.272 3.836 20 0 EHADLO Brc1ccccc1C[C@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000339800021 1015689138 /nfs/dbraw/zinc/68/91/38/1015689138.db2.gz CNTWLLNYDBSMSR-OAHLLOKOSA-N 1 2 346.272 3.836 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000274981597 1015693473 /nfs/dbraw/zinc/69/34/73/1015693473.db2.gz KDFVEEUOZXJKNN-KRWDZBQOSA-N 1 2 330.428 3.775 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(C)n1C ZINC000339847269 1015742287 /nfs/dbraw/zinc/74/22/87/1015742287.db2.gz MTSPJZBTTMJNDD-UHFFFAOYSA-N 1 2 346.434 3.809 20 0 EHADLO Fc1cc(NCc2ccnn2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC000449052483 1032127490 /nfs/dbraw/zinc/12/74/90/1032127490.db2.gz YVURUTBZCRBUAZ-UHFFFAOYSA-N 1 2 325.391 3.935 20 0 EHADLO c1cn(Cc2ccc(NCc3ccc(-c4ncon4)cc3)cc2)c[nH+]1 ZINC001167097831 1015817228 /nfs/dbraw/zinc/81/72/28/1015817228.db2.gz VIVPHOCLKLPPOJ-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCCC1 ZINC000180538817 1015972225 /nfs/dbraw/zinc/97/22/25/1015972225.db2.gz MNZPWTINIRTLFH-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000048040318 1016048690 /nfs/dbraw/zinc/04/86/90/1016048690.db2.gz XRSTXIMWEZMHHF-GOSISDBHSA-N 1 2 341.842 3.961 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC001167108540 1016049984 /nfs/dbraw/zinc/04/99/84/1016049984.db2.gz QNNKEIFVNQEIQL-CYBMUJFWSA-N 1 2 347.377 3.628 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC001167108540 1016049994 /nfs/dbraw/zinc/04/99/94/1016049994.db2.gz QNNKEIFVNQEIQL-CYBMUJFWSA-N 1 2 347.377 3.628 20 0 EHADLO CCc1nc(N2CCC[C@H]2c2ccc(OC)cc2OC)cc(C)[nH+]1 ZINC000339969140 1016087008 /nfs/dbraw/zinc/08/70/08/1016087008.db2.gz OLIVZPPJUJNVJT-INIZCTEOSA-N 1 2 327.428 3.706 20 0 EHADLO COc1ccc2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2c1 ZINC000339980942 1016099762 /nfs/dbraw/zinc/09/97/62/1016099762.db2.gz KSLSJGZSSVCCNJ-UHFFFAOYSA-N 1 2 349.434 3.866 20 0 EHADLO CC(C)n1ccc2c1nc(Cl)nc2N1CCC(n2cc[nH+]c2)CC1 ZINC001167125520 1016205398 /nfs/dbraw/zinc/20/53/98/1016205398.db2.gz KANYVSQKILWFQJ-UHFFFAOYSA-N 1 2 344.850 3.704 20 0 EHADLO CC(C)CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC001625852084 1016216997 /nfs/dbraw/zinc/21/69/97/1016216997.db2.gz IWMACEGEIUOUCP-UHFFFAOYSA-N 1 2 325.456 3.842 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)c1C ZINC000460949160 1032144311 /nfs/dbraw/zinc/14/43/11/1032144311.db2.gz YHQZTEPLQXJQKU-GFCCVEGCSA-N 1 2 348.393 3.747 20 0 EHADLO Clc1cc(Cl)cc(N2CC[NH+](Cc3cncs3)CC2)c1 ZINC001209549615 1016391741 /nfs/dbraw/zinc/39/17/41/1016391741.db2.gz AZSKFFIZVXEJLY-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccccc1F ZINC001167186303 1016512948 /nfs/dbraw/zinc/51/29/48/1016512948.db2.gz DQFYOXFZSSAVBJ-KRWDZBQOSA-N 1 2 327.399 3.690 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccccc1F ZINC001167186303 1016512954 /nfs/dbraw/zinc/51/29/54/1016512954.db2.gz DQFYOXFZSSAVBJ-KRWDZBQOSA-N 1 2 327.399 3.690 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(C)ccc1OC(F)F)CC(C)C ZINC001167199286 1016553999 /nfs/dbraw/zinc/55/39/99/1016553999.db2.gz KHPXKNVXVFNHJA-UHFFFAOYSA-N 1 2 329.387 3.618 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(C)ccc1OC(F)F)CC(C)C ZINC001167199286 1016554011 /nfs/dbraw/zinc/55/40/11/1016554011.db2.gz KHPXKNVXVFNHJA-UHFFFAOYSA-N 1 2 329.387 3.618 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363315 1016562669 /nfs/dbraw/zinc/56/26/69/1016562669.db2.gz ROHFVGAMFJBNGQ-QWHCGFSZSA-N 1 2 337.407 3.605 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363315 1016562675 /nfs/dbraw/zinc/56/26/75/1016562675.db2.gz ROHFVGAMFJBNGQ-QWHCGFSZSA-N 1 2 337.407 3.605 20 0 EHADLO CSc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000580208466 1016623314 /nfs/dbraw/zinc/62/33/14/1016623314.db2.gz CNTQDILDARGYQM-HNNXBMFYSA-N 1 2 335.860 3.698 20 0 EHADLO c1ccc(CSc2cc[nH+]c(N3CC[C@@H]4OCC[C@H]4C3)c2)cc1 ZINC001167219413 1016626502 /nfs/dbraw/zinc/62/65/02/1016626502.db2.gz XZYHDJLXUGPBRI-WMZOPIPTSA-N 1 2 326.465 3.989 20 0 EHADLO OC[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000182916983 1032149194 /nfs/dbraw/zinc/14/91/94/1032149194.db2.gz SZQXMNBAOMGMJQ-MRXNPFEDSA-N 1 2 328.799 3.818 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201996 1016689897 /nfs/dbraw/zinc/68/98/97/1016689897.db2.gz JJXZJJPNRJWACM-CJNGLKHVSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@@H]([C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201996 1016689908 /nfs/dbraw/zinc/68/99/08/1016689908.db2.gz JJXZJJPNRJWACM-CJNGLKHVSA-N 1 2 340.345 3.619 20 0 EHADLO c1csc([C@@H]([NH2+]CCCCOCc2ccccc2)c2nnc[nH]2)c1 ZINC000340213129 1016710954 /nfs/dbraw/zinc/71/09/54/1016710954.db2.gz AITNAXPXFUPNCS-QGZVFWFLSA-N 1 2 342.468 3.542 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cnccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000178731293 1016762596 /nfs/dbraw/zinc/76/25/96/1016762596.db2.gz HQTGJTLXAMMOIN-UHFFFAOYSA-N 1 2 339.830 3.527 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000178731293 1016762607 /nfs/dbraw/zinc/76/26/07/1016762607.db2.gz HQTGJTLXAMMOIN-UHFFFAOYSA-N 1 2 339.830 3.527 20 0 EHADLO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340263689 1016816637 /nfs/dbraw/zinc/81/66/37/1016816637.db2.gz KGNSSLDJSRZZME-ARFHVFGLSA-N 1 2 334.464 3.687 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1cc[nH]n1)OCCO3 ZINC000340288043 1016864527 /nfs/dbraw/zinc/86/45/27/1016864527.db2.gz RMOVPGPVRYYGIV-CQSZACIVSA-N 1 2 339.439 3.570 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1cc[nH]n1)OCCO3 ZINC000340288043 1016864539 /nfs/dbraw/zinc/86/45/39/1016864539.db2.gz RMOVPGPVRYYGIV-CQSZACIVSA-N 1 2 339.439 3.570 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000782960902 1016869148 /nfs/dbraw/zinc/86/91/48/1016869148.db2.gz VIQPPZRMGMEKDP-QGZVFWFLSA-N 1 2 345.443 3.807 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000890796915 1016907378 /nfs/dbraw/zinc/90/73/78/1016907378.db2.gz SKPRFPQIEBWQJX-UHFFFAOYSA-N 1 2 334.423 3.876 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1F ZINC000376616905 1016940492 /nfs/dbraw/zinc/94/04/92/1016940492.db2.gz BUHDWRAYSFDXBJ-CYBMUJFWSA-N 1 2 349.793 3.868 20 0 EHADLO O=C(Nc1cc(F)ccc1O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000340332330 1016964269 /nfs/dbraw/zinc/96/42/69/1016964269.db2.gz PUURACBCCDVMQB-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cc(F)ccc1O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000340332330 1016964285 /nfs/dbraw/zinc/96/42/85/1016964285.db2.gz PUURACBCCDVMQB-QGZVFWFLSA-N 1 2 346.377 3.664 20 0 EHADLO c1cc(CN2CCOCC2)[nH+]c(N[C@@H]2CCCCC23CCCC3)c1 ZINC000340344801 1016987000 /nfs/dbraw/zinc/98/70/00/1016987000.db2.gz FXMDSOUSJBQMMG-GOSISDBHSA-N 1 2 329.488 3.829 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)s1 ZINC000547833435 1017003670 /nfs/dbraw/zinc/00/36/70/1017003670.db2.gz HGOLGUIFMUUKDA-GFCCVEGCSA-N 1 2 332.860 3.811 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)s1 ZINC000547833435 1017003683 /nfs/dbraw/zinc/00/36/83/1017003683.db2.gz HGOLGUIFMUUKDA-GFCCVEGCSA-N 1 2 332.860 3.811 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)c1ncnn1C ZINC000459492820 1032213101 /nfs/dbraw/zinc/21/31/01/1032213101.db2.gz GEQFZBWZFNWYCI-HNNXBMFYSA-N 1 2 336.439 3.650 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C(F)(F)F ZINC000528398154 1032226243 /nfs/dbraw/zinc/22/62/43/1032226243.db2.gz SZEKPUTXKMWORK-ZDUSSCGKSA-N 1 2 337.345 3.757 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c(=S)o1 ZINC000176832370 1032226388 /nfs/dbraw/zinc/22/63/88/1032226388.db2.gz QGQUNJHERFDCEP-LBPRGKRZSA-N 1 2 333.457 3.959 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(=S)o1 ZINC000176832370 1032226399 /nfs/dbraw/zinc/22/63/99/1032226399.db2.gz QGQUNJHERFDCEP-LBPRGKRZSA-N 1 2 333.457 3.959 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000080665016 1032228384 /nfs/dbraw/zinc/22/83/84/1032228384.db2.gz QAVGGHQPFUVJFF-NVXWUHKLSA-N 1 2 344.459 3.611 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000538247701 1032236985 /nfs/dbraw/zinc/23/69/85/1032236985.db2.gz ILJFPQYNBUDMKO-UHFFFAOYSA-N 1 2 335.517 3.665 20 0 EHADLO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC000081000586 1032240135 /nfs/dbraw/zinc/24/01/35/1032240135.db2.gz PNMQWRUGIHHJSC-UHFFFAOYSA-N 1 2 326.227 3.627 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)nc2c1 ZINC000528405103 1032242901 /nfs/dbraw/zinc/24/29/01/1032242901.db2.gz KSSLOIGOBNUTNJ-OAHLLOKOSA-N 1 2 344.402 3.740 20 0 EHADLO Cc1cc(NCc2nccn2CCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000081033189 1032251477 /nfs/dbraw/zinc/25/14/77/1032251477.db2.gz CZUXOBUDBFCLBY-UHFFFAOYSA-N 1 2 333.439 3.714 20 0 EHADLO COCc1cc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)no1 ZINC000459541995 1032262352 /nfs/dbraw/zinc/26/23/52/1032262352.db2.gz JCXDNWKKTLGDSK-SFHVURJKSA-N 1 2 336.382 3.883 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000459548817 1032265544 /nfs/dbraw/zinc/26/55/44/1032265544.db2.gz QXYXJGQANJMXIM-ZYHUDNBSSA-N 1 2 339.760 3.780 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000459548817 1032265549 /nfs/dbraw/zinc/26/55/49/1032265549.db2.gz QXYXJGQANJMXIM-ZYHUDNBSSA-N 1 2 339.760 3.780 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(F)F ZINC000459552536 1032269968 /nfs/dbraw/zinc/26/99/68/1032269968.db2.gz ZSDPLIHRXDAGEY-SSDOTTSWSA-N 1 2 344.711 3.931 20 0 EHADLO COCCOc1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000081292631 1032290073 /nfs/dbraw/zinc/29/00/73/1032290073.db2.gz GJBUSENEJTZESA-UHFFFAOYSA-N 1 2 337.423 3.818 20 0 EHADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000925302977 1032299585 /nfs/dbraw/zinc/29/95/85/1032299585.db2.gz KPPYXEFMHISTIF-CQSZACIVSA-N 1 2 348.830 3.965 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000184483139 1032304239 /nfs/dbraw/zinc/30/42/39/1032304239.db2.gz XZZDYCQLBWASMT-HUUCEWRRSA-N 1 2 337.464 3.527 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000184483139 1032304248 /nfs/dbraw/zinc/30/42/48/1032304248.db2.gz XZZDYCQLBWASMT-HUUCEWRRSA-N 1 2 337.464 3.527 20 0 EHADLO C[C@H]1C[C@H](C)C[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000139265458 1032315974 /nfs/dbraw/zinc/31/59/74/1032315974.db2.gz UXUJXOJIUWIHFK-RYUDHWBXSA-N 1 2 343.452 3.723 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000184868549 1032328115 /nfs/dbraw/zinc/32/81/15/1032328115.db2.gz OQZUOVJAXZTQPP-CYBMUJFWSA-N 1 2 333.432 3.798 20 0 EHADLO CC(C)CC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000343774530 1032351205 /nfs/dbraw/zinc/35/12/05/1032351205.db2.gz XYWISPSMYMIVSC-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO COCCC1(C)C[NH+](Cc2cc(Cl)ccc2Br)C1 ZINC000459634196 1032352523 /nfs/dbraw/zinc/35/25/23/1032352523.db2.gz QTAXEUIBCVWMKR-UHFFFAOYSA-N 1 2 332.669 3.961 20 0 EHADLO COc1cccc(C[NH+]2CC(COc3ccccc3)C2)c1OC(F)F ZINC000459635259 1032355229 /nfs/dbraw/zinc/35/52/29/1032355229.db2.gz SUPOOYLPPDQKSF-UHFFFAOYSA-N 1 2 349.377 3.807 20 0 EHADLO COc1cc2c(c(C[NH+]3CC(C)(CC(F)(F)F)C3)c1)O[C@@H](C)C2 ZINC000459640207 1032361540 /nfs/dbraw/zinc/36/15/40/1032361540.db2.gz PNSOHIUWYPNZII-NSHDSACASA-N 1 2 329.362 3.793 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)nn1-c1ccccc1Cl ZINC000538443493 1032370003 /nfs/dbraw/zinc/37/00/03/1032370003.db2.gz FOHZKIUCHGNPBZ-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1ccon1 ZINC000449237141 1032370484 /nfs/dbraw/zinc/37/04/84/1032370484.db2.gz MUFYMNQRWVBIKG-SDBXPKJASA-N 1 2 325.181 3.914 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccccc3F)s2)s1 ZINC000449239627 1032372354 /nfs/dbraw/zinc/37/23/54/1032372354.db2.gz WJDWMYDSNCEKBY-VIFPVBQESA-N 1 2 334.445 3.960 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCC2 ZINC000666132147 1032385674 /nfs/dbraw/zinc/38/56/74/1032385674.db2.gz RAWXYTCMZHVXMX-HUUCEWRRSA-N 1 2 342.443 3.582 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)c1 ZINC000924666327 1032408791 /nfs/dbraw/zinc/40/87/91/1032408791.db2.gz XGFDORUTBDUBBS-KRWDZBQOSA-N 1 2 330.815 3.660 20 0 EHADLO OC[C@]1([NH2+]Cc2cc(Cl)sc2Cl)CCOc2ccccc21 ZINC000449299900 1032417174 /nfs/dbraw/zinc/41/71/74/1032417174.db2.gz BPYGFRGVVXBMCC-OAHLLOKOSA-N 1 2 344.263 3.815 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459784023 1032467064 /nfs/dbraw/zinc/46/70/64/1032467064.db2.gz IQTHUDBVRMKBTN-HNNXBMFYSA-N 1 2 342.487 3.956 20 0 EHADLO Cc1[nH+]c(NCc2ccc3c(c2)CC(C)(C)O3)ccc1-c1cnn(C)c1 ZINC000449349314 1032465802 /nfs/dbraw/zinc/46/58/02/1032465802.db2.gz WZSMXUJRAQLPTK-UHFFFAOYSA-N 1 2 348.450 3.538 20 0 EHADLO Cc1[nH+]c(NCc2cnc(C(C)(C)C)s2)ccc1-c1cnn(C)c1 ZINC000449350108 1032465941 /nfs/dbraw/zinc/46/59/41/1032465941.db2.gz YXMHRRJESULERR-UHFFFAOYSA-N 1 2 341.484 3.579 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)cc1 ZINC000635541688 1032474441 /nfs/dbraw/zinc/47/44/41/1032474441.db2.gz WCAFTEYEWWNSFK-ZIAGYGMSSA-N 1 2 338.436 3.838 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)n2)cc1 ZINC000635541688 1032474443 /nfs/dbraw/zinc/47/44/43/1032474443.db2.gz WCAFTEYEWWNSFK-ZIAGYGMSSA-N 1 2 338.436 3.838 20 0 EHADLO COCc1nc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)cs1 ZINC000449337016 1032474462 /nfs/dbraw/zinc/47/44/62/1032474462.db2.gz OYPKFNSKYSCZFV-UHFFFAOYSA-N 1 2 349.456 3.842 20 0 EHADLO COCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000528572404 1032473074 /nfs/dbraw/zinc/47/30/74/1032473074.db2.gz BPNPRUXCIGKRMF-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1c(F)cccc1F ZINC000537029957 1032490899 /nfs/dbraw/zinc/49/08/99/1032490899.db2.gz TTXADJONBASBNV-LLVKDONJSA-N 1 2 338.785 3.585 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000537021686 1032485422 /nfs/dbraw/zinc/48/54/22/1032485422.db2.gz IUIGHFNVXWHYPE-ZDUSSCGKSA-N 1 2 348.468 3.958 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000528590061 1032493907 /nfs/dbraw/zinc/49/39/07/1032493907.db2.gz CPPBHWIDIZBIGC-UHFFFAOYSA-N 1 2 347.409 3.934 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000528590061 1032493911 /nfs/dbraw/zinc/49/39/11/1032493911.db2.gz CPPBHWIDIZBIGC-UHFFFAOYSA-N 1 2 347.409 3.934 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)C2 ZINC000528590531 1032494462 /nfs/dbraw/zinc/49/44/62/1032494462.db2.gz DBCDRQKVJNFHAX-KRWDZBQOSA-N 1 2 345.874 3.519 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)c1cccc(Cl)c1)C2 ZINC000528590531 1032494465 /nfs/dbraw/zinc/49/44/65/1032494465.db2.gz DBCDRQKVJNFHAX-KRWDZBQOSA-N 1 2 345.874 3.519 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000528590576 1032495792 /nfs/dbraw/zinc/49/57/92/1032495792.db2.gz DXDAZPSCOOCDEF-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000528590576 1032495803 /nfs/dbraw/zinc/49/58/03/1032495803.db2.gz DXDAZPSCOOCDEF-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC000537104761 1032513961 /nfs/dbraw/zinc/51/39/61/1032513961.db2.gz RXRPDVRYUJEOKW-GFCCVEGCSA-N 1 2 333.457 3.536 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000528658819 1032545484 /nfs/dbraw/zinc/54/54/84/1032545484.db2.gz NQJYEUGHFBLAII-UXHICEINSA-N 1 2 335.451 3.532 20 0 EHADLO C[C@H]1CCC[C@H](C)C1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000081476854 1032558160 /nfs/dbraw/zinc/55/81/60/1032558160.db2.gz XURQUIYYURGQLQ-HOTGVXAUSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cc[nH]n2)c1)c1ccc(Cl)cc1 ZINC000537209569 1032562612 /nfs/dbraw/zinc/56/26/12/1032562612.db2.gz XUPNZSJTNQCQDG-UHFFFAOYSA-N 1 2 340.814 3.605 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nc(-c3cccs3)no2)cc1F ZINC000528675596 1032563602 /nfs/dbraw/zinc/56/36/02/1032563602.db2.gz PBOZHJWSLGIAKM-UHFFFAOYSA-N 1 2 347.415 3.971 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4c([nH]c5ccccc54)C3)ccc2[nH+]1 ZINC000090478413 1032569740 /nfs/dbraw/zinc/56/97/40/1032569740.db2.gz YAJOYHVAMZDKAP-UHFFFAOYSA-N 1 2 345.406 3.714 20 0 EHADLO Cc1cc([C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C2CC2)ccc1F ZINC000537222020 1032574141 /nfs/dbraw/zinc/57/41/41/1032574141.db2.gz YBQKDDUMXSPOPY-HNNXBMFYSA-N 1 2 343.324 3.863 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ncccc2F)cnn1-c1ccc(F)cc1 ZINC000090720749 1032591413 /nfs/dbraw/zinc/59/14/13/1032591413.db2.gz LEPGMOMFKIFWCG-GFCCVEGCSA-N 1 2 328.366 3.705 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528699069 1032603667 /nfs/dbraw/zinc/60/36/67/1032603667.db2.gz BCFBTKWTBQYOBM-SFHVURJKSA-N 1 2 341.499 3.727 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000606345756 1032626973 /nfs/dbraw/zinc/62/69/73/1032626973.db2.gz DVLQBOZFJJQRQW-RUDMXATFSA-N 1 2 340.492 3.886 20 0 EHADLO Cc1[nH+]ccn1CCCNC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593062308 1032664575 /nfs/dbraw/zinc/66/45/75/1032664575.db2.gz HGKDYMLVFATAOI-UHFFFAOYSA-N 1 2 335.492 3.606 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000606395694 1032672383 /nfs/dbraw/zinc/67/23/83/1032672383.db2.gz GEBZQKUDPZDLRS-UHFFFAOYSA-N 1 2 348.899 3.922 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000528719807 1032671525 /nfs/dbraw/zinc/67/15/25/1032671525.db2.gz NCJFIMPDPJZWPW-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000528719807 1032671532 /nfs/dbraw/zinc/67/15/32/1032671532.db2.gz NCJFIMPDPJZWPW-UHFFFAOYSA-N 1 2 348.368 3.623 20 0 EHADLO CSCC1(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000593048991 1032680708 /nfs/dbraw/zinc/68/07/08/1032680708.db2.gz OTSCFOPUQLUVTF-HNNXBMFYSA-N 1 2 348.512 3.552 20 0 EHADLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343839919 1017262163 /nfs/dbraw/zinc/26/21/63/1017262163.db2.gz SFNUVBRCVRNMKK-UTUOFQBUSA-N 1 2 335.439 3.933 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000332979270 1017275578 /nfs/dbraw/zinc/27/55/78/1017275578.db2.gz KJNBASYIHYFHLC-JJRVBVJISA-N 1 2 346.862 3.890 20 0 EHADLO CCN(CC)[C@H](C[NH2+]Cc1csc(C(F)(F)F)n1)c1ccco1 ZINC000892738938 1017279093 /nfs/dbraw/zinc/27/90/93/1017279093.db2.gz BYJOPYQISGJDIE-GFCCVEGCSA-N 1 2 347.406 3.928 20 0 EHADLO CC1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCCCCC1 ZINC000537392021 1032691216 /nfs/dbraw/zinc/69/12/16/1032691216.db2.gz BUVRRINTLWZGFI-UHFFFAOYSA-N 1 2 344.499 3.609 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606448776 1032691790 /nfs/dbraw/zinc/69/17/90/1032691790.db2.gz GORMRTXRBLKRAQ-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606448776 1032691796 /nfs/dbraw/zinc/69/17/96/1032691796.db2.gz GORMRTXRBLKRAQ-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000683564619 1017389824 /nfs/dbraw/zinc/38/98/24/1017389824.db2.gz RNJNGSCYGOSZFP-HUUCEWRRSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000683564619 1017389836 /nfs/dbraw/zinc/38/98/36/1017389836.db2.gz RNJNGSCYGOSZFP-HUUCEWRRSA-N 1 2 349.887 3.589 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528732653 1032699378 /nfs/dbraw/zinc/69/93/78/1032699378.db2.gz DEOOAMMTAYUKOP-SFHVURJKSA-N 1 2 333.382 3.638 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528732653 1032699369 /nfs/dbraw/zinc/69/93/69/1032699369.db2.gz DEOOAMMTAYUKOP-SFHVURJKSA-N 1 2 333.382 3.638 20 0 EHADLO CCc1nn(C)cc1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000092411893 1017456905 /nfs/dbraw/zinc/45/69/05/1017456905.db2.gz CAKNEVCQQVTWTG-LJQANCHMSA-N 1 2 340.858 3.910 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000584451977 1032702684 /nfs/dbraw/zinc/70/26/84/1032702684.db2.gz MFHWVUYJLZFRCR-IAQYHMDHSA-N 1 2 335.329 3.615 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(C(F)F)o1 ZINC000625352778 1017569176 /nfs/dbraw/zinc/56/91/76/1017569176.db2.gz LIBKZNANMWXSRI-UHFFFAOYSA-N 1 2 349.381 3.923 20 0 EHADLO CCc1ccc([C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C(C)C)cc1 ZINC000655793799 1017616797 /nfs/dbraw/zinc/61/67/97/1017616797.db2.gz CZPHKWURHUSXMZ-FUHWJXTLSA-N 1 2 328.460 3.706 20 0 EHADLO CCCCc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655795448 1017628334 /nfs/dbraw/zinc/62/83/34/1017628334.db2.gz BWQXMXQWMPUOBQ-RHSMWYFYSA-N 1 2 328.460 3.850 20 0 EHADLO C([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000655796148 1017633361 /nfs/dbraw/zinc/63/33/61/1017633361.db2.gz GMANXHQZYXDJFR-BBWFWOEESA-N 1 2 332.492 3.885 20 0 EHADLO CCc1sc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)nc1-c1ccccc1 ZINC000574097497 1032717242 /nfs/dbraw/zinc/71/72/42/1032717242.db2.gz BCRNVBPJHXIFBN-LBPRGKRZSA-N 1 2 340.452 3.913 20 0 EHADLO CCc1sc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)nc1-c1ccccc1 ZINC000574097497 1032717253 /nfs/dbraw/zinc/71/72/53/1032717253.db2.gz BCRNVBPJHXIFBN-LBPRGKRZSA-N 1 2 340.452 3.913 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613668855 1017712077 /nfs/dbraw/zinc/71/20/77/1017712077.db2.gz DOPDQOYILDIKNC-HZPDHXFCSA-N 1 2 331.847 3.551 20 0 EHADLO COc1ccc([C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C2CC2)cc1 ZINC000574097893 1032719319 /nfs/dbraw/zinc/71/93/19/1032719319.db2.gz HVPJLKIJCGOIKF-LJQANCHMSA-N 1 2 335.407 3.532 20 0 EHADLO Cc1ccnc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275637900 1017855625 /nfs/dbraw/zinc/85/56/25/1017855625.db2.gz BBQJHBLVJJIZAG-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccnc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275637900 1017855644 /nfs/dbraw/zinc/85/56/44/1017855644.db2.gz BBQJHBLVJJIZAG-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000340462865 1017929474 /nfs/dbraw/zinc/92/94/74/1017929474.db2.gz DRUBFWDYGQVSNY-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000053073494 1032730925 /nfs/dbraw/zinc/73/09/25/1032730925.db2.gz ZOPSYQHTDAQOFK-UHFFFAOYSA-N 1 2 325.437 3.922 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000053073494 1032730944 /nfs/dbraw/zinc/73/09/44/1032730944.db2.gz ZOPSYQHTDAQOFK-UHFFFAOYSA-N 1 2 325.437 3.922 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000019541821 1018019692 /nfs/dbraw/zinc/01/96/92/1018019692.db2.gz JBUAGOHAJCVUAV-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000019541821 1018019708 /nfs/dbraw/zinc/01/97/08/1018019708.db2.gz JBUAGOHAJCVUAV-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc([S@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892980733 1018039911 /nfs/dbraw/zinc/03/99/11/1018039911.db2.gz GYDHCZZJZRYPFI-NPMABZOXSA-N 1 2 329.469 3.963 20 0 EHADLO O=C1CC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)c2cc(F)ccc2N1 ZINC000340496647 1018149542 /nfs/dbraw/zinc/14/95/42/1018149542.db2.gz KOLAHIPGHAFXCV-OAHLLOKOSA-N 1 2 338.304 3.806 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000644659189 1018162496 /nfs/dbraw/zinc/16/24/96/1018162496.db2.gz UYMZGSLAODMHQT-SFHVURJKSA-N 1 2 349.478 3.879 20 0 EHADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3cc(C)on3)ccc2NC1=O ZINC000340521641 1018204597 /nfs/dbraw/zinc/20/45/97/1018204597.db2.gz BOTWPNGLMZOQIV-OZVIIMIRSA-N 1 2 329.400 3.504 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000377705295 1018224750 /nfs/dbraw/zinc/22/47/50/1018224750.db2.gz OAIAZCFHNTXPAW-CQSZACIVSA-N 1 2 338.879 3.785 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000377705295 1018224761 /nfs/dbraw/zinc/22/47/61/1018224761.db2.gz OAIAZCFHNTXPAW-CQSZACIVSA-N 1 2 338.879 3.785 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1Br ZINC000683742169 1018266433 /nfs/dbraw/zinc/26/64/33/1018266433.db2.gz XKWIKVOIKUHBQE-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O=C1CC(Nc2cc(-c3ccccc3)c3cc4c(cc3[nH+]2)OCCO4)C1 ZINC001167338691 1018274876 /nfs/dbraw/zinc/27/48/76/1018274876.db2.gz HTQRTCLHQKPOLU-UHFFFAOYSA-N 1 2 346.386 3.816 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3C)CC2)cc1 ZINC001204513187 1018296947 /nfs/dbraw/zinc/29/69/47/1018296947.db2.gz UHSPFYMVGMADDT-UHFFFAOYSA-N 1 2 326.415 3.659 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606540756 1032756333 /nfs/dbraw/zinc/75/63/33/1032756333.db2.gz GAULKPOXMWAYGY-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606540756 1032756348 /nfs/dbraw/zinc/75/63/48/1032756348.db2.gz GAULKPOXMWAYGY-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)ccc1Br ZINC000377774899 1018347697 /nfs/dbraw/zinc/34/76/97/1018347697.db2.gz FOFOUVMYSAKXHQ-LLVKDONJSA-N 1 2 334.217 3.539 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)s2)cc1 ZINC000377775849 1018349975 /nfs/dbraw/zinc/34/99/75/1018349975.db2.gz IDEOJDJRRUTPIM-NVXWUHKLSA-N 1 2 341.480 3.739 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)s2)cc1 ZINC000377775849 1018349990 /nfs/dbraw/zinc/34/99/90/1018349990.db2.gz IDEOJDJRRUTPIM-NVXWUHKLSA-N 1 2 341.480 3.739 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(COc3ccccc3)CC2)n1 ZINC000064515294 1018366422 /nfs/dbraw/zinc/36/64/22/1018366422.db2.gz CSJNLAUODJDZEG-UHFFFAOYSA-N 1 2 343.471 3.949 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000593098186 1032759144 /nfs/dbraw/zinc/75/91/44/1032759144.db2.gz KJVMIPSNCYZHKM-UHFFFAOYSA-N 1 2 343.471 3.750 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000593105833 1032761291 /nfs/dbraw/zinc/76/12/91/1032761291.db2.gz OMRSKYDVBOJZDV-CQSZACIVSA-N 1 2 340.452 3.664 20 0 EHADLO CCOc1ccc(F)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1F ZINC000536282005 1018412607 /nfs/dbraw/zinc/41/26/07/1018412607.db2.gz STIZPENMNAHXNF-UHFFFAOYSA-N 1 2 345.349 3.501 20 0 EHADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ncc(-c2ccccc2)o1 ZINC000377815922 1018417087 /nfs/dbraw/zinc/41/70/87/1018417087.db2.gz AEFUCXQJKLCFPD-CYBMUJFWSA-N 1 2 347.378 3.872 20 0 EHADLO COc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(OC)c1 ZINC000340557128 1018431572 /nfs/dbraw/zinc/43/15/72/1018431572.db2.gz LFUOAHXCWZMXME-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO Clc1ccccc1-c1nnc(C[N@@H+]2CCOCC23CCCCC3)o1 ZINC000580038078 1018432141 /nfs/dbraw/zinc/43/21/41/1018432141.db2.gz KKGUNEVMWGXZQP-UHFFFAOYSA-N 1 2 347.846 3.925 20 0 EHADLO Clc1ccccc1-c1nnc(C[N@H+]2CCOCC23CCCCC3)o1 ZINC000580038078 1018432149 /nfs/dbraw/zinc/43/21/49/1018432149.db2.gz KKGUNEVMWGXZQP-UHFFFAOYSA-N 1 2 347.846 3.925 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606580662 1032766572 /nfs/dbraw/zinc/76/65/72/1032766572.db2.gz YTCWTCWVUFCYBQ-KRWDZBQOSA-N 1 2 336.395 3.712 20 0 EHADLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000377850527 1018478156 /nfs/dbraw/zinc/47/81/56/1018478156.db2.gz NYQJEZLSQDVDGM-AWEZNQCLSA-N 1 2 343.858 3.624 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000606582219 1032768347 /nfs/dbraw/zinc/76/83/47/1032768347.db2.gz HKARPCQKKGMSEA-QGZVFWFLSA-N 1 2 335.411 3.879 20 0 EHADLO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000683778076 1018511923 /nfs/dbraw/zinc/51/19/23/1018511923.db2.gz AVZNEHLSVMDXBT-QMMMGPOBSA-N 1 2 326.347 3.889 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2ccc3ccccc3c2)c1 ZINC000584540673 1018523326 /nfs/dbraw/zinc/52/33/26/1018523326.db2.gz HRBLRLWXTUYYID-NRFANRHFSA-N 1 2 330.431 3.821 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2ccc3ccccc3c2)c1 ZINC000584540673 1018523338 /nfs/dbraw/zinc/52/33/38/1018523338.db2.gz HRBLRLWXTUYYID-NRFANRHFSA-N 1 2 330.431 3.821 20 0 EHADLO COc1cc(Nc2ccc(Cl)nc2Br)cc(C)[nH+]1 ZINC001210775540 1018654603 /nfs/dbraw/zinc/65/46/03/1018654603.db2.gz XFKSAVQMCQTSJN-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO Cn1cc(C[NH2+]C2(c3ccccc3Br)CCCCC2)nn1 ZINC000449550094 1032777149 /nfs/dbraw/zinc/77/71/49/1032777149.db2.gz CCHFATOZLAKHOE-UHFFFAOYSA-N 1 2 349.276 3.527 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)C2CC2)o1 ZINC000052070946 1018720768 /nfs/dbraw/zinc/72/07/68/1018720768.db2.gz AGGIYIWAYLXWGV-AWEZNQCLSA-N 1 2 344.480 3.760 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)C2CC2)o1 ZINC000052070946 1018720779 /nfs/dbraw/zinc/72/07/79/1018720779.db2.gz AGGIYIWAYLXWGV-AWEZNQCLSA-N 1 2 344.480 3.760 20 0 EHADLO CCc1nnc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)s1 ZINC000290177332 1018724084 /nfs/dbraw/zinc/72/40/84/1018724084.db2.gz NESLLPKMTAGRDF-GFCCVEGCSA-N 1 2 338.274 3.640 20 0 EHADLO Cc1nsc(C)c1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580208971 1018800574 /nfs/dbraw/zinc/80/05/74/1018800574.db2.gz SPLYFLRTJLWUNZ-SFHVURJKSA-N 1 2 344.459 3.854 20 0 EHADLO Cc1nsc(C)c1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580208971 1018800590 /nfs/dbraw/zinc/80/05/90/1018800590.db2.gz SPLYFLRTJLWUNZ-SFHVURJKSA-N 1 2 344.459 3.854 20 0 EHADLO CCOc1ccc(Oc2ccccc2NC(=O)Cn2cc[nH+]c2)cc1 ZINC000052357057 1018801794 /nfs/dbraw/zinc/80/17/94/1018801794.db2.gz PQHFNMVZVXIKAK-UHFFFAOYSA-N 1 2 337.379 3.713 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000255198393 1018805063 /nfs/dbraw/zinc/80/50/63/1018805063.db2.gz BEHXKJYUHQFGGW-WLMCBFPDSA-N 1 2 329.831 3.549 20 0 EHADLO Cc1ccc([C@@H](CNc2nc3ccccc3o2)[NH+]2CCOCC2)cc1 ZINC000052488427 1018823211 /nfs/dbraw/zinc/82/32/11/1018823211.db2.gz GZBVZNJVOHIFQW-GOSISDBHSA-N 1 2 337.423 3.622 20 0 EHADLO Cc1cnc(CC[N@@H+](C)Cc2nnc(-c3ccccc3)s2)s1 ZINC000155637353 1018879544 /nfs/dbraw/zinc/87/95/44/1018879544.db2.gz GECMAGIVFUGWKA-UHFFFAOYSA-N 1 2 330.482 3.645 20 0 EHADLO Cc1cnc(CC[N@H+](C)Cc2nnc(-c3ccccc3)s2)s1 ZINC000155637353 1018879566 /nfs/dbraw/zinc/87/95/66/1018879566.db2.gz GECMAGIVFUGWKA-UHFFFAOYSA-N 1 2 330.482 3.645 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCC34CCCCC4)[nH+]cn2)C1 ZINC000664150271 1018997267 /nfs/dbraw/zinc/99/72/67/1018997267.db2.gz KQSOEGBQOBXHRY-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCC34CCCCC4)nc[nH+]2)C1 ZINC000664150271 1018997278 /nfs/dbraw/zinc/99/72/78/1018997278.db2.gz KQSOEGBQOBXHRY-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](Cc1cnccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000576438441 1018998252 /nfs/dbraw/zinc/99/82/52/1018998252.db2.gz BUSYVBXVLIOSHE-OAHLLOKOSA-N 1 2 333.439 3.720 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)n1cc[nH+]c1 ZINC000580316873 1019009866 /nfs/dbraw/zinc/00/98/66/1019009866.db2.gz FEVKFQBFVWXQDM-ISARSNTHSA-N 1 2 325.456 3.923 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340645410 1019062495 /nfs/dbraw/zinc/06/24/95/1019062495.db2.gz WCXQJTYOXVKCIU-MRXNPFEDSA-N 1 2 331.419 3.681 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21)n1cc[nH+]c1 ZINC000580332860 1019063088 /nfs/dbraw/zinc/06/30/88/1019063088.db2.gz GIKZDBVDAAHBMQ-GXTWGEPZSA-N 1 2 337.345 3.917 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C(F)(F)F)ccc1=O ZINC000178858135 1019160293 /nfs/dbraw/zinc/16/02/93/1019160293.db2.gz RDRQIFJOGBOTQN-ZDUSSCGKSA-N 1 2 339.361 3.520 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nc(C(F)(F)F)ccc1=O ZINC000178858135 1019160299 /nfs/dbraw/zinc/16/02/99/1019160299.db2.gz RDRQIFJOGBOTQN-ZDUSSCGKSA-N 1 2 339.361 3.520 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000052751086 1019237411 /nfs/dbraw/zinc/23/74/11/1019237411.db2.gz QNLMETBGZQMBDF-INIZCTEOSA-N 1 2 326.415 3.653 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(SC)c2)c1C ZINC000051582723 1019257714 /nfs/dbraw/zinc/25/77/14/1019257714.db2.gz XGPVXCCZXAWGGN-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO Clc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)co2)c1 ZINC000729294668 1019266354 /nfs/dbraw/zinc/26/63/54/1019266354.db2.gz SHTCRCKRWBSGKT-MRXNPFEDSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3OCCO3)co2)c1 ZINC000729294668 1019266372 /nfs/dbraw/zinc/26/63/72/1019266372.db2.gz SHTCRCKRWBSGKT-MRXNPFEDSA-N 1 2 348.830 3.722 20 0 EHADLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052804759 1019269479 /nfs/dbraw/zinc/26/94/79/1019269479.db2.gz GGRGIOZSEHJNJI-AWEZNQCLSA-N 1 2 346.500 3.555 20 0 EHADLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052804759 1019269489 /nfs/dbraw/zinc/26/94/89/1019269489.db2.gz GGRGIOZSEHJNJI-AWEZNQCLSA-N 1 2 346.500 3.555 20 0 EHADLO CCC/C=C\C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000729371324 1019324430 /nfs/dbraw/zinc/32/44/30/1019324430.db2.gz AZLWSQROMBSAMO-WMZJFQQLSA-N 1 2 337.427 3.618 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1 ZINC000078364344 1019368617 /nfs/dbraw/zinc/36/86/17/1019368617.db2.gz NOWUYVYTLBGHFQ-IAGOWNOFSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000548097343 1019394284 /nfs/dbraw/zinc/39/42/84/1019394284.db2.gz GGCLDEGZWBBERD-HUUCEWRRSA-N 1 2 340.471 3.591 20 0 EHADLO Cc1ccc([C@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000433606297 1019436938 /nfs/dbraw/zinc/43/69/38/1019436938.db2.gz YJIPQXFFNJBQKR-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1ccc([C@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000433606297 1019436943 /nfs/dbraw/zinc/43/69/43/1019436943.db2.gz YJIPQXFFNJBQKR-QGZVFWFLSA-N 1 2 340.496 3.680 20 0 EHADLO Nc1ncc(C[N@H+](Cc2ccccc2)Cc2ccccc2F)s1 ZINC000340711053 1019570289 /nfs/dbraw/zinc/57/02/89/1019570289.db2.gz LTGHODKSGKXPLQ-UHFFFAOYSA-N 1 2 327.428 3.897 20 0 EHADLO Nc1ncc(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)s1 ZINC000340711053 1019570302 /nfs/dbraw/zinc/57/03/02/1019570302.db2.gz LTGHODKSGKXPLQ-UHFFFAOYSA-N 1 2 327.428 3.897 20 0 EHADLO FC(F)(F)[C@H]1CCCC[C@@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433780322 1019605042 /nfs/dbraw/zinc/60/50/42/1019605042.db2.gz SUAKMYMCCOHILK-OLZOCXBDSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@H]1CCCC[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433780322 1019605051 /nfs/dbraw/zinc/60/50/51/1019605051.db2.gz SUAKMYMCCOHILK-OLZOCXBDSA-N 1 2 328.382 3.857 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ncco1 ZINC000924901785 1019610259 /nfs/dbraw/zinc/61/02/59/1019610259.db2.gz UZQJXORUNOOESB-CQSZACIVSA-N 1 2 345.443 3.593 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccccc2C1 ZINC000340737859 1019799588 /nfs/dbraw/zinc/79/95/88/1019799588.db2.gz IGMPKIXEOUIYIP-IBGZPJMESA-N 1 2 331.419 3.517 20 0 EHADLO Cc1cnc([C@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000255671352 1019815279 /nfs/dbraw/zinc/81/52/79/1019815279.db2.gz RGAWEYQKRMINCW-PODYEWJSSA-N 1 2 338.436 3.528 20 0 EHADLO Cc1ccc2oc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)nc2c1 ZINC000513609957 1019868888 /nfs/dbraw/zinc/86/88/88/1019868888.db2.gz RSMQXFWAAUHZIL-SFHVURJKSA-N 1 2 337.423 3.622 20 0 EHADLO CCOC(=O)c1coc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449589856 1032858833 /nfs/dbraw/zinc/85/88/33/1032858833.db2.gz UBNGSGAKQOLTEM-ZDUSSCGKSA-N 1 2 339.313 3.651 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000434019558 1019882593 /nfs/dbraw/zinc/88/25/93/1019882593.db2.gz AGWFLVYDPIUYKU-QGZVFWFLSA-N 1 2 349.434 3.730 20 0 EHADLO C[C@@H]1c2ccccc2CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340771801 1019965335 /nfs/dbraw/zinc/96/53/35/1019965335.db2.gz DFOWCGHLKVLLCS-MRXNPFEDSA-N 1 2 346.434 3.718 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000348526766 1019995030 /nfs/dbraw/zinc/99/50/30/1019995030.db2.gz XMMGNHCLIUHSSQ-CQSZACIVSA-N 1 2 332.394 3.549 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728306623 1020034904 /nfs/dbraw/zinc/03/49/04/1020034904.db2.gz IXMSDQLLUVTDBQ-CVEARBPZSA-N 1 2 333.476 3.865 20 0 EHADLO Cn1ccnc1C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000280069871 1020056956 /nfs/dbraw/zinc/05/69/56/1020056956.db2.gz KYYBJSNFIBDUBI-OAHLLOKOSA-N 1 2 338.224 3.563 20 0 EHADLO CCc1cncc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000345249371 1020097246 /nfs/dbraw/zinc/09/72/46/1020097246.db2.gz LKBPDQACLOLLGV-UHFFFAOYSA-N 1 2 344.418 3.812 20 0 EHADLO CCCCn1c(SCc2cccc(N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000580843285 1020133061 /nfs/dbraw/zinc/13/30/61/1020133061.db2.gz BKWCRJVUHMWZJQ-MRXNPFEDSA-N 1 2 347.532 3.965 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(Br)cn2)nc(C2CC2)[nH+]1 ZINC000280192579 1020157785 /nfs/dbraw/zinc/15/77/85/1020157785.db2.gz IXBBGWPHLZBOEP-JTQLQIEISA-N 1 2 333.233 3.993 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c(C)cc1Cl ZINC000280241268 1020201088 /nfs/dbraw/zinc/20/10/88/1020201088.db2.gz IDGGSJOSASZBIV-HNNXBMFYSA-N 1 2 335.835 3.789 20 0 EHADLO Cc1cc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c(C)cc1Cl ZINC000280241268 1020201096 /nfs/dbraw/zinc/20/10/96/1020201096.db2.gz IDGGSJOSASZBIV-HNNXBMFYSA-N 1 2 335.835 3.789 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2cccc(F)c2Cl)CC1)C(F)(F)F ZINC000093190933 1032883059 /nfs/dbraw/zinc/88/30/59/1032883059.db2.gz LPFSNUJEDYKPRM-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(F)c2Br)o1 ZINC000449614849 1032883599 /nfs/dbraw/zinc/88/35/99/1032883599.db2.gz XHNQRWVFGNAANX-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)sc2C1 ZINC001143383051 1020217321 /nfs/dbraw/zinc/21/73/21/1020217321.db2.gz AQSYSZQHRZFCPJ-QJPTWQEYSA-N 1 2 330.457 3.513 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)sc2C1 ZINC001143383051 1020217326 /nfs/dbraw/zinc/21/73/26/1020217326.db2.gz AQSYSZQHRZFCPJ-QJPTWQEYSA-N 1 2 330.457 3.513 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccccc2)n1 ZINC000093204552 1032885805 /nfs/dbraw/zinc/88/58/05/1032885805.db2.gz GGANIUBTCZXVAQ-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606897191 1032889631 /nfs/dbraw/zinc/88/96/31/1032889631.db2.gz LBQIGYLWOAXPJN-HNAYVOBHSA-N 1 2 346.902 3.879 20 0 EHADLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606897191 1032889647 /nfs/dbraw/zinc/88/96/47/1032889647.db2.gz LBQIGYLWOAXPJN-HNAYVOBHSA-N 1 2 346.902 3.879 20 0 EHADLO CC(C)(C)c1cnc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000276010659 1020324346 /nfs/dbraw/zinc/32/43/46/1020324346.db2.gz QBNNGAKFCSKUGM-OAHLLOKOSA-N 1 2 328.460 3.911 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992330 1020338441 /nfs/dbraw/zinc/33/84/41/1020338441.db2.gz MHKIUSHSAIEKEM-IZHWHUGBSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580992330 1020338449 /nfs/dbraw/zinc/33/84/49/1020338449.db2.gz MHKIUSHSAIEKEM-IZHWHUGBSA-N 1 2 347.455 3.961 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1sccc1OC ZINC000093660392 1032898115 /nfs/dbraw/zinc/89/81/15/1032898115.db2.gz CKUHFCPIVNDTGI-UHFFFAOYSA-N 1 2 332.469 3.834 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1sccc1OC ZINC000093660392 1032898130 /nfs/dbraw/zinc/89/81/30/1032898130.db2.gz CKUHFCPIVNDTGI-UHFFFAOYSA-N 1 2 332.469 3.834 20 0 EHADLO O=C(NCCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000345645282 1020413737 /nfs/dbraw/zinc/41/37/37/1020413737.db2.gz UWRGLRZDWBBNDY-FYMRZPMTSA-N 1 2 327.472 3.552 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H](C)S[C@H](C)C1 ZINC000525704934 1032902653 /nfs/dbraw/zinc/90/26/53/1032902653.db2.gz XLWDSOWTHRXQTO-CHWSQXEVSA-N 1 2 330.453 3.742 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000340862183 1020482810 /nfs/dbraw/zinc/48/28/10/1020482810.db2.gz NASKXVWHOOVAMB-UTKZUKDTSA-N 1 2 337.467 3.800 20 0 EHADLO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(F)ccc1F ZINC000156070463 1020563863 /nfs/dbraw/zinc/56/38/63/1020563863.db2.gz RBTSZQFOAVHWAX-KRWDZBQOSA-N 1 2 348.397 3.659 20 0 EHADLO CSc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066963215 1020589914 /nfs/dbraw/zinc/58/99/14/1020589914.db2.gz YNPLFUNKGUMLCK-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000123653385 1020614168 /nfs/dbraw/zinc/61/41/68/1020614168.db2.gz NOQKWWDLSBCAMZ-PXAZEXFGSA-N 1 2 342.830 3.741 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C2CCC(F)(F)CC2)c1 ZINC000345924927 1020616401 /nfs/dbraw/zinc/61/64/01/1020616401.db2.gz BTCXAGJKKCCRDP-UHFFFAOYSA-N 1 2 333.382 3.831 20 0 EHADLO COc1cnnc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)c1 ZINC001167456376 1020758305 /nfs/dbraw/zinc/75/83/05/1020758305.db2.gz FFWAGGIVFIZTKS-UHFFFAOYSA-N 1 2 337.408 3.675 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069393751 1020777635 /nfs/dbraw/zinc/77/76/35/1020777635.db2.gz LVTATAGQBXHNOV-BEFAXECRSA-N 1 2 349.434 3.838 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341013570 1020851954 /nfs/dbraw/zinc/85/19/54/1020851954.db2.gz KMMQPFYQXQUZDI-UONOGXRCSA-N 1 2 332.423 3.635 20 0 EHADLO c1[nH+]c(-c2cccc(NCc3cn4cccnc4n3)c2)n2c1CCCC2 ZINC000656575676 1020949806 /nfs/dbraw/zinc/94/98/06/1020949806.db2.gz FJEZJHQSTDCUHH-UHFFFAOYSA-N 1 2 344.422 3.541 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3ccc(O)cc3)n2)C1 ZINC000276274149 1020987410 /nfs/dbraw/zinc/98/74/10/1020987410.db2.gz ZTWIAWKJSXCEBZ-LBPRGKRZSA-N 1 2 346.456 3.725 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3ccc(O)cc3)n2)C1 ZINC000276274149 1020987422 /nfs/dbraw/zinc/98/74/22/1020987422.db2.gz ZTWIAWKJSXCEBZ-LBPRGKRZSA-N 1 2 346.456 3.725 20 0 EHADLO Cc1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)nc(C)n1 ZINC000656648617 1021085558 /nfs/dbraw/zinc/08/55/58/1021085558.db2.gz LGWBYZIMENZIME-UHFFFAOYSA-N 1 2 331.423 3.621 20 0 EHADLO Cc1ccccc1CC1C[NH+](Cc2nccn2Cc2ccccc2)C1 ZINC000656648911 1021085571 /nfs/dbraw/zinc/08/55/71/1021085571.db2.gz RMESSWIOCNHSLB-UHFFFAOYSA-N 1 2 331.463 3.914 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cscn1 ZINC000656681653 1021163810 /nfs/dbraw/zinc/16/38/10/1021163810.db2.gz JEURUYWVSOCKLJ-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO C[C@@H]1CC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H](C)C1 ZINC000341245516 1021174166 /nfs/dbraw/zinc/17/41/66/1021174166.db2.gz CFYGULYTDTYJJV-IRXDYDNUSA-N 1 2 331.504 3.974 20 0 EHADLO COc1ccccc1-c1ncc(C[NH+]2CC(CC(F)(F)F)C2)cn1 ZINC000656688833 1021176177 /nfs/dbraw/zinc/17/61/77/1021176177.db2.gz WVPRAHPAJAMZID-UHFFFAOYSA-N 1 2 337.345 3.536 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000505887224 1021275653 /nfs/dbraw/zinc/27/56/53/1021275653.db2.gz UUSHDMPWIRYTPS-UHFFFAOYSA-N 1 2 345.512 3.987 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(N)nc(Cl)n1)c1ccc(Cl)cc1 ZINC000296194298 1021278891 /nfs/dbraw/zinc/27/88/91/1021278891.db2.gz DWVRLHGGLIEKJZ-KWQFWETISA-N 1 2 326.231 3.563 20 0 EHADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636872 1032969814 /nfs/dbraw/zinc/96/98/14/1032969814.db2.gz XNMLEXOLJHJNLO-WDEREUQCSA-N 1 2 325.321 3.757 20 0 EHADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636872 1032969822 /nfs/dbraw/zinc/96/98/22/1032969822.db2.gz XNMLEXOLJHJNLO-WDEREUQCSA-N 1 2 325.321 3.757 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844693 1021328415 /nfs/dbraw/zinc/32/84/15/1021328415.db2.gz UVJFSAOVQNNNSH-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844693 1021328434 /nfs/dbraw/zinc/32/84/34/1021328434.db2.gz UVJFSAOVQNNNSH-BZNIZROVSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1C ZINC000341298103 1021376142 /nfs/dbraw/zinc/37/61/42/1021376142.db2.gz DBKSLIPUWLZZNG-OAHLLOKOSA-N 1 2 345.874 3.785 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1C ZINC000341298102 1021376789 /nfs/dbraw/zinc/37/67/89/1021376789.db2.gz DBKSLIPUWLZZNG-HNNXBMFYSA-N 1 2 345.874 3.785 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000505903688 1021404314 /nfs/dbraw/zinc/40/43/14/1021404314.db2.gz URVCPEJZIWBLIR-UHFFFAOYSA-N 1 2 332.879 3.683 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1C ZINC000341319359 1021419948 /nfs/dbraw/zinc/41/99/48/1021419948.db2.gz VJCLOBMLQQJALL-CJNGLKHVSA-N 1 2 331.847 3.877 20 0 EHADLO Cc1nc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)sc1C ZINC000341326531 1021433634 /nfs/dbraw/zinc/43/36/34/1021433634.db2.gz XIBITHRXVOBSSI-AWEZNQCLSA-N 1 2 326.425 3.644 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000581682350 1021490553 /nfs/dbraw/zinc/49/05/53/1021490553.db2.gz XFMIIJYSXCRGFU-UHFFFAOYSA-N 1 2 338.459 3.507 20 0 EHADLO C[C@@]1([NH2+]Cc2nnc(-c3ccccc3)s2)CCOc2ccccc21 ZINC000933371417 1021499916 /nfs/dbraw/zinc/49/99/16/1021499916.db2.gz QMQDIGFFUPHQSQ-LJQANCHMSA-N 1 2 337.448 3.993 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000015296311 1021539654 /nfs/dbraw/zinc/53/96/54/1021539654.db2.gz OATDEQLEPYUNCI-QGZVFWFLSA-N 1 2 340.467 3.621 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000015296311 1021539672 /nfs/dbraw/zinc/53/96/72/1021539672.db2.gz OATDEQLEPYUNCI-QGZVFWFLSA-N 1 2 340.467 3.621 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)NCc1ccc(Cl)s1 ZINC000516589132 1021568413 /nfs/dbraw/zinc/56/84/13/1021568413.db2.gz JJRKTKITRVABLV-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2ccccc2)C1)NCc1ccc(Cl)s1 ZINC000516589132 1021568425 /nfs/dbraw/zinc/56/84/25/1021568425.db2.gz JJRKTKITRVABLV-UHFFFAOYSA-N 1 2 346.883 3.807 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@@H]2CCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000426458007 1021630157 /nfs/dbraw/zinc/63/01/57/1021630157.db2.gz HGBORRVFYDKCKT-SMDDNHRTSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@@H]2CCC[C@H]21)c1cc(Cl)ccc1Cl ZINC000426458007 1021630162 /nfs/dbraw/zinc/63/01/62/1021630162.db2.gz HGBORRVFYDKCKT-SMDDNHRTSA-N 1 2 348.295 3.642 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4c(C)cccc4C3)o2)cc1 ZINC000729479590 1021649875 /nfs/dbraw/zinc/64/98/75/1021649875.db2.gz MWJAFQVTSSPAFD-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4c(C)cccc4C3)o2)cc1 ZINC000729479590 1021649879 /nfs/dbraw/zinc/64/98/79/1021649879.db2.gz MWJAFQVTSSPAFD-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO Cc1cc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1F ZINC000341389628 1021660624 /nfs/dbraw/zinc/66/06/24/1021660624.db2.gz VMTWRSFVIYDULT-QGZVFWFLSA-N 1 2 337.398 3.696 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000425755048 1021667879 /nfs/dbraw/zinc/66/78/79/1021667879.db2.gz PEBHJBBFIUSZJL-UHFFFAOYSA-N 1 2 333.819 3.820 20 0 EHADLO COc1ccc2oc(C[NH+]3CCN(Cc4cccs4)CC3)cc2c1 ZINC000506000257 1021675064 /nfs/dbraw/zinc/67/50/64/1021675064.db2.gz YTUKCSXBEVCAER-UHFFFAOYSA-N 1 2 342.464 3.821 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000440652141 1021679124 /nfs/dbraw/zinc/67/91/24/1021679124.db2.gz YBRSPCALRFDPCF-UHFFFAOYSA-N 1 2 346.177 3.541 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](C)CC(C)C)CC2)c1 ZINC000506668893 1021681762 /nfs/dbraw/zinc/68/17/62/1021681762.db2.gz JQCWMFWQNYXAKE-SJORKVTESA-N 1 2 347.503 3.518 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)s2)c1 ZINC000346003007 1021704866 /nfs/dbraw/zinc/70/48/66/1021704866.db2.gz XOAJLNACKZSBPR-HNNXBMFYSA-N 1 2 327.453 3.684 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)s2)c1 ZINC000346003007 1021704881 /nfs/dbraw/zinc/70/48/81/1021704881.db2.gz XOAJLNACKZSBPR-HNNXBMFYSA-N 1 2 327.453 3.684 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000449663697 1032999260 /nfs/dbraw/zinc/99/92/60/1032999260.db2.gz OPOFPWUPVPLLBT-ZOODHJKOSA-N 1 2 329.362 3.881 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341408151 1021760847 /nfs/dbraw/zinc/76/08/47/1021760847.db2.gz MVVYYTBDHJJCLN-UHFFFAOYSA-N 1 2 327.453 3.684 20 0 EHADLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000506039722 1021772573 /nfs/dbraw/zinc/77/25/73/1021772573.db2.gz BLPGWMVEUGZAEB-FQEVSTJZSA-N 1 2 348.471 3.827 20 0 EHADLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000506039722 1021772587 /nfs/dbraw/zinc/77/25/87/1021772587.db2.gz BLPGWMVEUGZAEB-FQEVSTJZSA-N 1 2 348.471 3.827 20 0 EHADLO Cc1nnc(SCCc2[nH+]cc(C)cc2C)n1Cc1ccccc1 ZINC000516866299 1021798026 /nfs/dbraw/zinc/79/80/26/1021798026.db2.gz MIJRWLVSAKWAQE-UHFFFAOYSA-N 1 2 338.480 3.981 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000172915176 1033008649 /nfs/dbraw/zinc/00/86/49/1033008649.db2.gz LYOXCNAFVVSOKE-AWEZNQCLSA-N 1 2 335.498 3.595 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000172915176 1033008668 /nfs/dbraw/zinc/00/86/68/1033008668.db2.gz LYOXCNAFVVSOKE-AWEZNQCLSA-N 1 2 335.498 3.595 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000593696506 1033009315 /nfs/dbraw/zinc/00/93/15/1033009315.db2.gz GAMIXDOKOZDJIZ-OAHLLOKOSA-N 1 2 349.500 3.701 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000593696506 1033009325 /nfs/dbraw/zinc/00/93/25/1033009325.db2.gz GAMIXDOKOZDJIZ-OAHLLOKOSA-N 1 2 349.500 3.701 20 0 EHADLO CCOC1(C)CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000298364949 1021834682 /nfs/dbraw/zinc/83/46/82/1021834682.db2.gz UNWXHYSFCWIGOC-UHFFFAOYSA-N 1 2 338.879 3.786 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2sccc2C1 ZINC000341424601 1021839804 /nfs/dbraw/zinc/83/98/04/1021839804.db2.gz ZIEWFDCQGHQDGK-INIZCTEOSA-N 1 2 337.448 3.578 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cn3c(n2)CCCC3)cc1OC ZINC000925065995 1021952453 /nfs/dbraw/zinc/95/24/53/1021952453.db2.gz XDMTZALGSBDSFG-CHWSQXEVSA-N 1 2 347.434 3.788 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441049458 1021955862 /nfs/dbraw/zinc/95/58/62/1021955862.db2.gz JBKDIANYPGKNLM-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441049458 1021955867 /nfs/dbraw/zinc/95/58/67/1021955867.db2.gz JBKDIANYPGKNLM-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](Cc1nc(Cc2ccc(Cl)cc2Cl)no1)n1cc[nH+]c1 ZINC000517034304 1021962169 /nfs/dbraw/zinc/96/21/69/1021962169.db2.gz YKUPLLVZHZEGHC-JTQLQIEISA-N 1 2 337.210 3.967 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C)cn2)cc1OC ZINC000341462045 1021969910 /nfs/dbraw/zinc/96/99/10/1021969910.db2.gz UNGHNGROMZUGPT-OAHLLOKOSA-N 1 2 329.444 3.823 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437584119 1021976468 /nfs/dbraw/zinc/97/64/68/1021976468.db2.gz ZBMBOPDANKANNU-UHFFFAOYSA-N 1 2 342.443 3.600 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc(C)n1 ZINC000519289458 1021978223 /nfs/dbraw/zinc/97/82/23/1021978223.db2.gz ZDFPPKOWUMSPCT-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000441178555 1022034712 /nfs/dbraw/zinc/03/47/12/1022034712.db2.gz SXCYEKAWIZSKBN-IBGZPJMESA-N 1 2 331.412 3.521 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000441178555 1022034728 /nfs/dbraw/zinc/03/47/28/1022034728.db2.gz SXCYEKAWIZSKBN-IBGZPJMESA-N 1 2 331.412 3.521 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c[nH+]1 ZINC000897630173 1033024979 /nfs/dbraw/zinc/02/49/79/1033024979.db2.gz WLEDHCRXRKDEGM-KOMQPUFPSA-N 1 2 331.847 3.642 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000520226843 1022054483 /nfs/dbraw/zinc/05/44/83/1022054483.db2.gz UTRUVMYULRNBCQ-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000520226843 1022054497 /nfs/dbraw/zinc/05/44/97/1022054497.db2.gz UTRUVMYULRNBCQ-LLVKDONJSA-N 1 2 349.887 3.548 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)on1 ZINC000517191507 1022117528 /nfs/dbraw/zinc/11/75/28/1022117528.db2.gz PNEAMRWQVYSZKI-CQSZACIVSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)on1 ZINC000517191507 1022117540 /nfs/dbraw/zinc/11/75/40/1022117540.db2.gz PNEAMRWQVYSZKI-CQSZACIVSA-N 1 2 345.418 3.539 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2c(Cl)cccc2Cl)no1 ZINC000441276972 1022123138 /nfs/dbraw/zinc/12/31/38/1022123138.db2.gz NRCRXWKINKTFLT-UHFFFAOYSA-N 1 2 344.242 3.843 20 0 EHADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](COC)c1ccc(C)o1)CCO2 ZINC000156413909 1022145347 /nfs/dbraw/zinc/14/53/47/1022145347.db2.gz XGXOWWWGIKWQHZ-SJORKVTESA-N 1 2 331.412 3.788 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322701 1022151332 /nfs/dbraw/zinc/15/13/32/1022151332.db2.gz KRVIHMQXAQSCFX-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322701 1022151340 /nfs/dbraw/zinc/15/13/40/1022151340.db2.gz KRVIHMQXAQSCFX-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000517239486 1022158791 /nfs/dbraw/zinc/15/87/91/1022158791.db2.gz QHMOZLCPJUYYBB-AWEZNQCLSA-N 1 2 329.787 3.784 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)cn1 ZINC000647193851 1022187795 /nfs/dbraw/zinc/18/77/95/1022187795.db2.gz ZFPSSSMREAEUHW-UHFFFAOYSA-N 1 2 335.455 3.782 20 0 EHADLO Cn1c(C[NH2+][C@H]2COc3ccc(F)cc32)nc2ccc(Cl)cc21 ZINC000341552177 1022292622 /nfs/dbraw/zinc/29/26/22/1022292622.db2.gz LNZKEYHRNSPSKZ-AWEZNQCLSA-N 1 2 331.778 3.589 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1F ZINC000119652347 1022320004 /nfs/dbraw/zinc/32/00/04/1022320004.db2.gz LEVDDTILGBRLLI-NWDGAFQWSA-N 1 2 339.407 3.780 20 0 EHADLO Clc1cc2c(c(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)c1)OCC2 ZINC000517429164 1022325101 /nfs/dbraw/zinc/32/51/01/1022325101.db2.gz NWBLTCFWNQGCAP-UHFFFAOYSA-N 1 2 343.810 3.648 20 0 EHADLO Clc1cc2c(c(C[N@H+]3CCC4(C3)Oc3ccccc3O4)c1)OCC2 ZINC000517429164 1022325108 /nfs/dbraw/zinc/32/51/08/1022325108.db2.gz NWBLTCFWNQGCAP-UHFFFAOYSA-N 1 2 343.810 3.648 20 0 EHADLO CCC(CC)n1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1C ZINC000157701600 1022359399 /nfs/dbraw/zinc/35/93/99/1022359399.db2.gz RZAKFXAGWJCDFM-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000438130038 1022408277 /nfs/dbraw/zinc/40/82/77/1022408277.db2.gz GONZSSBWEHHNMI-QGZVFWFLSA-N 1 2 334.423 3.739 20 0 EHADLO CC(C)(C)C1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458895219 1022443138 /nfs/dbraw/zinc/44/31/38/1022443138.db2.gz ZVDVZSWCPVINDA-UHFFFAOYSA-N 1 2 346.862 3.713 20 0 EHADLO Cc1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1CCc1cccs1 ZINC000172942162 1033052366 /nfs/dbraw/zinc/05/23/66/1033052366.db2.gz YWQHBFAGBPJRFG-GASCZTMLSA-N 1 2 348.541 3.572 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1CCc1cccs1 ZINC000172942162 1033052370 /nfs/dbraw/zinc/05/23/70/1033052370.db2.gz YWQHBFAGBPJRFG-GASCZTMLSA-N 1 2 348.541 3.572 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H](C(F)(F)F)O1 ZINC001167491073 1022479249 /nfs/dbraw/zinc/47/92/49/1022479249.db2.gz KQZMHSHCMIWFEQ-XBVQOTNRSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H](C(F)(F)F)O1 ZINC001167491073 1022479255 /nfs/dbraw/zinc/47/92/55/1022479255.db2.gz KQZMHSHCMIWFEQ-XBVQOTNRSA-N 1 2 343.389 3.948 20 0 EHADLO Fc1ccc(I)cc1C[N@@H+]1CCCC12CC2 ZINC001141439031 1033057502 /nfs/dbraw/zinc/05/75/02/1033057502.db2.gz JXVXLQNNAIMXSG-UHFFFAOYSA-N 1 2 331.172 3.559 20 0 EHADLO Fc1ccc(I)cc1C[N@H+]1CCCC12CC2 ZINC001141439031 1033057517 /nfs/dbraw/zinc/05/75/17/1033057517.db2.gz JXVXLQNNAIMXSG-UHFFFAOYSA-N 1 2 331.172 3.559 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(F)cc4[nH]cnc43)c2C1 ZINC000066760991 1033057815 /nfs/dbraw/zinc/05/78/15/1033057815.db2.gz SHQKLLRQOHDWIP-UHFFFAOYSA-N 1 2 338.386 3.680 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(F)cc4[nH]cnc43)c2C1 ZINC000066760991 1033057828 /nfs/dbraw/zinc/05/78/28/1033057828.db2.gz SHQKLLRQOHDWIP-UHFFFAOYSA-N 1 2 338.386 3.680 20 0 EHADLO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(C2CC2)o1 ZINC000101558688 1022523216 /nfs/dbraw/zinc/52/32/16/1022523216.db2.gz BYGQSAYZSMOIPR-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(C2CC2)o1 ZINC000101558688 1022523230 /nfs/dbraw/zinc/52/32/30/1022523230.db2.gz BYGQSAYZSMOIPR-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1(CC)CC ZINC000894556932 1022531699 /nfs/dbraw/zinc/53/16/99/1022531699.db2.gz OSVGEXVIRIHMGA-SOUVJXGZSA-N 1 2 339.480 3.629 20 0 EHADLO Fc1ccc(Br)cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449702822 1033064169 /nfs/dbraw/zinc/06/41/69/1033064169.db2.gz ZZQPVXOUXRONJD-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO CCC1(O)CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000276748467 1022568515 /nfs/dbraw/zinc/56/85/15/1022568515.db2.gz KHKQJHNQKCYUQJ-UHFFFAOYSA-N 1 2 338.698 3.901 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)C2 ZINC000476228887 1033065287 /nfs/dbraw/zinc/06/52/87/1033065287.db2.gz YGIKDXFCVLOHTP-IDHHARJASA-N 1 2 337.467 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)CC2 ZINC000476228887 1033065301 /nfs/dbraw/zinc/06/53/01/1033065301.db2.gz YGIKDXFCVLOHTP-IDHHARJASA-N 1 2 337.467 3.858 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)[C@H](C)[C@@H](C)O1 ZINC000438370555 1022600263 /nfs/dbraw/zinc/60/02/63/1022600263.db2.gz CUHNBDIOVDHRCV-JHJVBQTASA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)[C@H](C)[C@@H](C)O1 ZINC000438370555 1022600275 /nfs/dbraw/zinc/60/02/75/1022600275.db2.gz CUHNBDIOVDHRCV-JHJVBQTASA-N 1 2 349.272 3.995 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc(C2CC2)n1 ZINC000517734506 1022606571 /nfs/dbraw/zinc/60/65/71/1022606571.db2.gz VVONHEZGGWGNEX-MRXNPFEDSA-N 1 2 332.407 3.843 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(CC(F)(F)F)s2)cc1O ZINC000891781844 1022689062 /nfs/dbraw/zinc/68/90/62/1022689062.db2.gz KRTNYBMEAHWGFW-UHFFFAOYSA-N 1 2 346.374 3.594 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(CC(F)(F)F)s2)cc1O ZINC000891781844 1022689075 /nfs/dbraw/zinc/68/90/75/1022689075.db2.gz KRTNYBMEAHWGFW-UHFFFAOYSA-N 1 2 346.374 3.594 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(F)c1 ZINC001143574592 1022743037 /nfs/dbraw/zinc/74/30/37/1022743037.db2.gz GAQTZFMFBRYWRV-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c(F)c1 ZINC001143574592 1022743052 /nfs/dbraw/zinc/74/30/52/1022743052.db2.gz GAQTZFMFBRYWRV-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(CC)CCC2)[C@@H](C)C1 ZINC000441439138 1022797672 /nfs/dbraw/zinc/79/76/72/1022797672.db2.gz NQLFQVSHPHEIRB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(CC)CCC2)[C@@H](C)C1 ZINC000441439138 1022797686 /nfs/dbraw/zinc/79/76/86/1022797686.db2.gz NQLFQVSHPHEIRB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000506284344 1022808352 /nfs/dbraw/zinc/80/83/52/1022808352.db2.gz VPROMONVAGQDPU-NSHDSACASA-N 1 2 335.753 3.744 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000506284344 1022808370 /nfs/dbraw/zinc/80/83/70/1022808370.db2.gz VPROMONVAGQDPU-NSHDSACASA-N 1 2 335.753 3.744 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000438600858 1022851465 /nfs/dbraw/zinc/85/14/65/1022851465.db2.gz GOCRHXNPUIXVNQ-OAHLLOKOSA-N 1 2 339.361 3.638 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438627515 1022872899 /nfs/dbraw/zinc/87/28/99/1022872899.db2.gz BBQMKKMYEGDKHD-GOSISDBHSA-N 1 2 342.414 3.719 20 0 EHADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438627515 1022872908 /nfs/dbraw/zinc/87/29/08/1022872908.db2.gz BBQMKKMYEGDKHD-GOSISDBHSA-N 1 2 342.414 3.719 20 0 EHADLO Cc1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)c1 ZINC000341657392 1022884655 /nfs/dbraw/zinc/88/46/55/1022884655.db2.gz LLILHPRYVOXYQH-LJQANCHMSA-N 1 2 333.435 3.865 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000517969107 1022898460 /nfs/dbraw/zinc/89/84/60/1022898460.db2.gz QOOTZDPSSZFWGH-UHFFFAOYSA-N 1 2 349.500 3.701 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000517969107 1022898470 /nfs/dbraw/zinc/89/84/70/1022898470.db2.gz QOOTZDPSSZFWGH-UHFFFAOYSA-N 1 2 349.500 3.701 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000894779716 1022899642 /nfs/dbraw/zinc/89/96/42/1022899642.db2.gz MWEVMHYVFQVFCL-MRXNPFEDSA-N 1 2 329.444 3.706 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC000458970186 1022908175 /nfs/dbraw/zinc/90/81/75/1022908175.db2.gz SCUJHRJRJJLONZ-HZPDHXFCSA-N 1 2 334.508 3.599 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1nc2cccnc2s1)c1cccs1 ZINC000341681841 1022993017 /nfs/dbraw/zinc/99/30/17/1022993017.db2.gz BBVGIFSHYJOOBO-LBPRGKRZSA-N 1 2 343.477 3.990 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1nc2cccnc2s1)c1cccs1 ZINC000341681841 1022993025 /nfs/dbraw/zinc/99/30/25/1022993025.db2.gz BBVGIFSHYJOOBO-LBPRGKRZSA-N 1 2 343.477 3.990 20 0 EHADLO Cn1c[nH+]cc1CNc1cccc(COCCOc2ccccc2)c1 ZINC000156544401 1023002319 /nfs/dbraw/zinc/00/23/19/1023002319.db2.gz MOKLLFZOGGBZAY-UHFFFAOYSA-N 1 2 337.423 3.628 20 0 EHADLO COc1ccc(C2([NH2+]Cc3csc(N(C)C4CC4)n3)CC2)cc1 ZINC000341685298 1023015744 /nfs/dbraw/zinc/01/57/44/1023015744.db2.gz RKPHQCBSXDRUQL-UHFFFAOYSA-N 1 2 329.469 3.529 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000341705687 1023079630 /nfs/dbraw/zinc/07/96/30/1023079630.db2.gz JJFRPCYSPNLWTN-KRWDZBQOSA-N 1 2 331.366 3.627 20 0 EHADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441479004 1023120751 /nfs/dbraw/zinc/12/07/51/1023120751.db2.gz GRBFFKCTQNZDFF-CMKODMSKSA-N 1 2 325.456 3.794 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1OCC ZINC000895067927 1023140431 /nfs/dbraw/zinc/14/04/31/1023140431.db2.gz AHFKGWKLGHOTPN-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1OCC ZINC000895067927 1023140436 /nfs/dbraw/zinc/14/04/36/1023140436.db2.gz AHFKGWKLGHOTPN-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(Cl)s1 ZINC001280311302 1023169226 /nfs/dbraw/zinc/16/92/26/1023169226.db2.gz OIADGJLEKVURDD-YVEFUNNKSA-N 1 2 336.888 3.521 20 0 EHADLO O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(Cl)s1 ZINC001280311302 1023169231 /nfs/dbraw/zinc/16/92/31/1023169231.db2.gz OIADGJLEKVURDD-YVEFUNNKSA-N 1 2 336.888 3.521 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCCCC2)c(C)c1 ZINC000441484242 1023178722 /nfs/dbraw/zinc/17/87/22/1023178722.db2.gz YILMTNUSBKQLFS-IBGZPJMESA-N 1 2 325.456 3.938 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000510797013 1023185173 /nfs/dbraw/zinc/18/51/73/1023185173.db2.gz LTHHYEZQEUWMEQ-JOYOIKCWSA-N 1 2 335.753 3.899 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000510797013 1023185180 /nfs/dbraw/zinc/18/51/80/1023185180.db2.gz LTHHYEZQEUWMEQ-JOYOIKCWSA-N 1 2 335.753 3.899 20 0 EHADLO Cc1cnc(N2CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000536391242 1023185906 /nfs/dbraw/zinc/18/59/06/1023185906.db2.gz UORWYVKTNNLECO-UHFFFAOYSA-N 1 2 345.516 3.815 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2F)c(C)c1 ZINC000441488432 1023205356 /nfs/dbraw/zinc/20/53/56/1023205356.db2.gz IFSPCJZNXZFPPE-IBGZPJMESA-N 1 2 337.398 3.810 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(CC(C)C)no2)cc1 ZINC000341743831 1023230255 /nfs/dbraw/zinc/23/02/55/1023230255.db2.gz QFGAYTDKLHZMID-AWEZNQCLSA-N 1 2 349.500 3.857 20 0 EHADLO CSCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441493603 1023231097 /nfs/dbraw/zinc/23/10/97/1023231097.db2.gz TZBRCMPNHYOABN-KRWDZBQOSA-N 1 2 331.485 3.501 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c[nH+]1 ZINC000459079169 1023242313 /nfs/dbraw/zinc/24/23/13/1023242313.db2.gz OUTZDMGQEGVJMM-ZDUSSCGKSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441493011 1023245401 /nfs/dbraw/zinc/24/54/01/1023245401.db2.gz SDLMOCDAZIPXKQ-FQEVSTJZSA-N 1 2 333.435 3.980 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000190535646 1023254782 /nfs/dbraw/zinc/25/47/82/1023254782.db2.gz FNSPXOLXHJUXSL-HZPDHXFCSA-N 1 2 334.508 3.692 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)ccc1F ZINC000684554321 1023268500 /nfs/dbraw/zinc/26/85/00/1023268500.db2.gz VZRWYVRWBKAOIR-OAHLLOKOSA-N 1 2 325.428 3.974 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCN(C)c3ccccc3C2)c(C)c1C ZINC000441496011 1023277089 /nfs/dbraw/zinc/27/70/89/1023277089.db2.gz YPMXFCQMLQKMMQ-UHFFFAOYSA-N 1 2 343.496 3.564 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCN(C)c3ccccc3C2)c(C)c1C ZINC000441496011 1023277095 /nfs/dbraw/zinc/27/70/95/1023277095.db2.gz YPMXFCQMLQKMMQ-UHFFFAOYSA-N 1 2 343.496 3.564 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](Nc1ccc(N3CCCC3)c[nH+]1)CC2 ZINC000684555594 1023298182 /nfs/dbraw/zinc/29/81/82/1023298182.db2.gz SAGIGJUQGXRGES-KRWDZBQOSA-N 1 2 339.439 3.798 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000341806395 1023343604 /nfs/dbraw/zinc/34/36/04/1023343604.db2.gz GXKDNTVTQJKMAQ-MRXNPFEDSA-N 1 2 326.415 3.653 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1scnc1C1CC1 ZINC000348839257 1023346016 /nfs/dbraw/zinc/34/60/16/1023346016.db2.gz VVYFFLCQTCLWED-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1scnc1C1CC1 ZINC000348839257 1023346023 /nfs/dbraw/zinc/34/60/23/1023346023.db2.gz VVYFFLCQTCLWED-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO Cc1cc(N2CCC[C@@H](OCC(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000891902133 1023365940 /nfs/dbraw/zinc/36/59/40/1023365940.db2.gz OABBANPKIUAVOQ-CYBMUJFWSA-N 1 2 329.366 3.600 20 0 EHADLO Cc1cc(C)c(-c2nn(C[N@H+](C)C[C@@H]3CCOC3)c(=S)o2)c(C)c1 ZINC000176092301 1023430703 /nfs/dbraw/zinc/43/07/03/1023430703.db2.gz VDNBDPKSPLCNBE-HNNXBMFYSA-N 1 2 347.484 3.724 20 0 EHADLO Cc1cc(C)c(-c2nn(C[N@@H+](C)C[C@@H]3CCOC3)c(=S)o2)c(C)c1 ZINC000176092301 1023430705 /nfs/dbraw/zinc/43/07/05/1023430705.db2.gz VDNBDPKSPLCNBE-HNNXBMFYSA-N 1 2 347.484 3.724 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnn(CC(F)F)c2)c(F)c1 ZINC000449735730 1033132180 /nfs/dbraw/zinc/13/21/80/1033132180.db2.gz URCDXPNTZPXHDG-OAHLLOKOSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(CC(F)F)c2)c(F)c1 ZINC000449735730 1033132193 /nfs/dbraw/zinc/13/21/93/1033132193.db2.gz URCDXPNTZPXHDG-OAHLLOKOSA-N 1 2 327.325 3.764 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)c1 ZINC000891930651 1023439687 /nfs/dbraw/zinc/43/96/87/1023439687.db2.gz XZIANFKCTSVEOJ-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)c1 ZINC000891930651 1023439693 /nfs/dbraw/zinc/43/96/93/1023439693.db2.gz XZIANFKCTSVEOJ-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO Cc1ccc(-c2ncc(C[NH+]3CCN(CC(F)F)CC3)s2)cc1 ZINC000092586828 1023455575 /nfs/dbraw/zinc/45/55/75/1023455575.db2.gz AIAJSYDUWSKLHR-UHFFFAOYSA-N 1 2 337.439 3.501 20 0 EHADLO Fc1cccc(C2([NH2+]Cc3csc(-c4ncccn4)n3)CC2)c1 ZINC000341854568 1023466942 /nfs/dbraw/zinc/46/69/42/1023466942.db2.gz DVMZVVQVGDVUNN-UHFFFAOYSA-N 1 2 326.400 3.518 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458123291 1023591757 /nfs/dbraw/zinc/59/17/57/1023591757.db2.gz JPAXZYFSCHWFSV-ICSRJNTNSA-N 1 2 349.478 3.980 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000535782090 1023630582 /nfs/dbraw/zinc/63/05/82/1023630582.db2.gz DTEQIONMGQWBLZ-HXUWFJFHSA-N 1 2 334.419 3.817 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000535782090 1023630587 /nfs/dbraw/zinc/63/05/87/1023630587.db2.gz DTEQIONMGQWBLZ-HXUWFJFHSA-N 1 2 334.419 3.817 20 0 EHADLO CCC1(c2ccccc2)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000458228623 1023649900 /nfs/dbraw/zinc/64/99/00/1023649900.db2.gz NHPMINWMOGHFRG-UHFFFAOYSA-N 1 2 345.446 3.735 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)nc1 ZINC000341915392 1023674850 /nfs/dbraw/zinc/67/48/50/1023674850.db2.gz UEHTYNHCXZXNQW-GOSISDBHSA-N 1 2 348.368 3.774 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)nc1 ZINC000341915392 1023674854 /nfs/dbraw/zinc/67/48/54/1023674854.db2.gz UEHTYNHCXZXNQW-GOSISDBHSA-N 1 2 348.368 3.774 20 0 EHADLO CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1ccco1 ZINC000176197641 1023685843 /nfs/dbraw/zinc/68/58/43/1023685843.db2.gz IBNVAPJCNAWGJI-KBPBESRZSA-N 1 2 332.473 3.773 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H](C)[NH+]3CCSCC3)ccc21 ZINC000341930376 1023703744 /nfs/dbraw/zinc/70/37/44/1023703744.db2.gz LPNPKJGYXCNAQM-OAHLLOKOSA-N 1 2 345.512 3.673 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccc3)C2)sc1C ZINC000341982364 1023733976 /nfs/dbraw/zinc/73/39/76/1023733976.db2.gz RPHWYEIFFJCJSJ-AWEZNQCLSA-N 1 2 341.480 3.876 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccc3)C2)sc1C ZINC000341982364 1023733983 /nfs/dbraw/zinc/73/39/83/1023733983.db2.gz RPHWYEIFFJCJSJ-AWEZNQCLSA-N 1 2 341.480 3.876 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342005188 1023754622 /nfs/dbraw/zinc/75/46/22/1023754622.db2.gz BPONRNHHMQEESV-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO CCOc1ccccc1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342067991 1023816463 /nfs/dbraw/zinc/81/64/63/1023816463.db2.gz KVLZAZXFSZDUOM-SFHVURJKSA-N 1 2 349.434 3.647 20 0 EHADLO CN(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)C1CCCCC1 ZINC000096981612 1023900380 /nfs/dbraw/zinc/90/03/80/1023900380.db2.gz MDYYSTBHPVLQOV-NRFANRHFSA-N 1 2 337.467 3.552 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000150844437 1023949495 /nfs/dbraw/zinc/94/94/95/1023949495.db2.gz HYIATHVPFVBSSH-STQMWFEESA-N 1 2 328.366 3.957 20 0 EHADLO CO[C@H](C[N@H+](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000513886853 1023952705 /nfs/dbraw/zinc/95/27/05/1023952705.db2.gz RRKHDQFWXRTFRA-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO CO[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000513886853 1023952710 /nfs/dbraw/zinc/95/27/10/1023952710.db2.gz RRKHDQFWXRTFRA-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441501387 1023956191 /nfs/dbraw/zinc/95/61/91/1023956191.db2.gz QAIRLGUAAZIINI-HXUWFJFHSA-N 1 2 333.435 3.980 20 0 EHADLO CCOc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469496 1033176152 /nfs/dbraw/zinc/17/61/52/1033176152.db2.gz QTICNPRUIRBDKY-MRXNPFEDSA-N 1 2 330.432 3.518 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(C(=O)OC)co1)c1ccc(Cl)s1 ZINC000602801508 1033176252 /nfs/dbraw/zinc/17/62/52/1033176252.db2.gz FBULDNVXBDQFGK-IUCAKERBSA-N 1 2 328.821 3.978 20 0 EHADLO FC(F)(F)Oc1cccc(C2([NH2+]Cc3nccn3C3CC3)CC2)c1 ZINC000895221713 1023997629 /nfs/dbraw/zinc/99/76/29/1023997629.db2.gz VMIFZMRAZUTZGH-UHFFFAOYSA-N 1 2 337.345 3.896 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459111405 1024004791 /nfs/dbraw/zinc/00/47/91/1024004791.db2.gz GFIBTFVFDWDMFJ-SJORKVTESA-N 1 2 332.492 3.836 20 0 EHADLO CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)Oc1ccccc1Cl ZINC000896843595 1024019187 /nfs/dbraw/zinc/01/91/87/1024019187.db2.gz TWQBPQZRTMLVMA-AWEZNQCLSA-N 1 2 349.862 3.554 20 0 EHADLO CSc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046469033 1033175117 /nfs/dbraw/zinc/17/51/17/1033175117.db2.gz VICMAHRQYJHEGZ-HNNXBMFYSA-N 1 2 332.473 3.841 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000428280427 1024041447 /nfs/dbraw/zinc/04/14/47/1024041447.db2.gz GEDCRQSQNYEJSV-UHFFFAOYSA-N 1 2 330.453 3.971 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000428280427 1024041465 /nfs/dbraw/zinc/04/14/65/1024041465.db2.gz GEDCRQSQNYEJSV-UHFFFAOYSA-N 1 2 330.453 3.971 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1F ZINC000514001391 1024043132 /nfs/dbraw/zinc/04/31/32/1024043132.db2.gz JPRJTGLLECTRNX-UGSOOPFHSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000522215152 1024043426 /nfs/dbraw/zinc/04/34/26/1024043426.db2.gz NXPPLOOSNLFVGD-VMPITWQZSA-N 1 2 338.426 3.605 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(Br)s1 ZINC000443500089 1024048991 /nfs/dbraw/zinc/04/89/91/1024048991.db2.gz LQDDTJDEZDFQCS-SECBINFHSA-N 1 2 336.258 3.992 20 0 EHADLO Cc1nc(-c2ccccc2)sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000520549754 1024086323 /nfs/dbraw/zinc/08/63/23/1024086323.db2.gz PTVYOBUCVFWBJP-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000514078749 1024106186 /nfs/dbraw/zinc/10/61/86/1024106186.db2.gz QWHPBYCEKYOCQN-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000535908373 1024132417 /nfs/dbraw/zinc/13/24/17/1024132417.db2.gz NZUHXOAKOQEXBM-LZQZEXGQSA-N 1 2 343.446 3.872 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434542890 1024152010 /nfs/dbraw/zinc/15/20/10/1024152010.db2.gz OLJJUARIERWARW-ZDUSSCGKSA-N 1 2 342.188 3.925 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434542890 1024152017 /nfs/dbraw/zinc/15/20/17/1024152017.db2.gz OLJJUARIERWARW-ZDUSSCGKSA-N 1 2 342.188 3.925 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000343305175 1024182659 /nfs/dbraw/zinc/18/26/59/1024182659.db2.gz UGZYPEXUSCJWPH-BXSJSEAGSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000343305175 1024182674 /nfs/dbraw/zinc/18/26/74/1024182674.db2.gz UGZYPEXUSCJWPH-BXSJSEAGSA-N 1 2 336.426 3.653 20 0 EHADLO FC1(c2cccnc2)CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000342144662 1024231968 /nfs/dbraw/zinc/23/19/68/1024231968.db2.gz BPIXVXGJJVDCEK-UHFFFAOYSA-N 1 2 336.414 3.728 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC[NH2+]1 ZINC000505468292 1024292502 /nfs/dbraw/zinc/29/25/02/1024292502.db2.gz JSGOBBFYSAFSKJ-RYRKJORJSA-N 1 2 344.499 3.631 20 0 EHADLO Clc1cnccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684804 1024296907 /nfs/dbraw/zinc/29/69/07/1024296907.db2.gz NATIUCAQEUNCTN-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO Clc1cnccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434684804 1024296942 /nfs/dbraw/zinc/29/69/42/1024296942.db2.gz NATIUCAQEUNCTN-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123504 1024312963 /nfs/dbraw/zinc/31/29/63/1024312963.db2.gz LOGRQNWMLOXJRG-IAGOWNOFSA-N 1 2 332.469 3.640 20 0 EHADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123504 1024312979 /nfs/dbraw/zinc/31/29/79/1024312979.db2.gz LOGRQNWMLOXJRG-IAGOWNOFSA-N 1 2 332.469 3.640 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000113516697 1024321746 /nfs/dbraw/zinc/32/17/46/1024321746.db2.gz LCEYXDYPILMMKT-GOSISDBHSA-N 1 2 348.878 3.948 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000113516697 1024321765 /nfs/dbraw/zinc/32/17/65/1024321765.db2.gz LCEYXDYPILMMKT-GOSISDBHSA-N 1 2 348.878 3.948 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151675717 1024379562 /nfs/dbraw/zinc/37/95/62/1024379562.db2.gz COXUAGLMHQDQHL-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000346090221 1024388848 /nfs/dbraw/zinc/38/88/48/1024388848.db2.gz ZPBGUUIDCWJQAL-GFCCVEGCSA-N 1 2 339.407 3.609 20 0 EHADLO CSCc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000191555823 1024406529 /nfs/dbraw/zinc/40/65/29/1024406529.db2.gz ARXQCXLBOKGDAV-UHFFFAOYSA-N 1 2 332.454 3.719 20 0 EHADLO C[C@@H]1c2nncn2CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000280904411 1024417403 /nfs/dbraw/zinc/41/74/03/1024417403.db2.gz PVSIOJPXPWDBCV-LLVKDONJSA-N 1 2 325.243 3.594 20 0 EHADLO C[C@@H]1c2nncn2CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000280904411 1024417411 /nfs/dbraw/zinc/41/74/11/1024417411.db2.gz PVSIOJPXPWDBCV-LLVKDONJSA-N 1 2 325.243 3.594 20 0 EHADLO CCC[C@@H]1SCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194776 1024426044 /nfs/dbraw/zinc/42/60/44/1024426044.db2.gz RERXAPGHRRAZHA-WBVHZDCISA-N 1 2 329.469 3.633 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CCCC2CCCCC2)CC[NH2+]1 ZINC000505524040 1024433420 /nfs/dbraw/zinc/43/34/20/1024433420.db2.gz OMOAFNHJCRKWSJ-LJQANCHMSA-N 1 2 344.499 3.919 20 0 EHADLO Cc1cc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000895385331 1024448837 /nfs/dbraw/zinc/44/88/37/1024448837.db2.gz HAGYFAYICZKUEX-AWEZNQCLSA-N 1 2 329.341 3.923 20 0 EHADLO Cc1ccsc1CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425230377 1024464345 /nfs/dbraw/zinc/46/43/45/1024464345.db2.gz LULQLXUKHOGURB-MRXNPFEDSA-N 1 2 339.464 3.661 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000113937952 1024480950 /nfs/dbraw/zinc/48/09/50/1024480950.db2.gz VGNQNBWRAVADIY-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000113937952 1024480957 /nfs/dbraw/zinc/48/09/57/1024480957.db2.gz VGNQNBWRAVADIY-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO C[C@@H]1CC[C@@]2(CCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)C1 ZINC000425248696 1024505530 /nfs/dbraw/zinc/50/55/30/1024505530.db2.gz RRGDUEFJPJCCIB-HGHGUNKESA-N 1 2 337.467 3.970 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000425251223 1024517770 /nfs/dbraw/zinc/51/77/70/1024517770.db2.gz FAHPFAABZVZJNA-IBGZPJMESA-N 1 2 345.446 3.823 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c(OC2CCCC2)c1 ZINC000282238395 1024521497 /nfs/dbraw/zinc/52/14/97/1024521497.db2.gz PUOVWRHVNQXMSC-HNNXBMFYSA-N 1 2 343.471 3.909 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895114663 1024533420 /nfs/dbraw/zinc/53/34/20/1024533420.db2.gz MNGSATWCRRQJAE-PXAZEXFGSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895114663 1024533427 /nfs/dbraw/zinc/53/34/27/1024533427.db2.gz MNGSATWCRRQJAE-PXAZEXFGSA-N 1 2 342.370 3.635 20 0 EHADLO Cc1ccccc1-n1nccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635565669 1033219128 /nfs/dbraw/zinc/21/91/28/1033219128.db2.gz QNUXCSDDJKOCRH-KRWDZBQOSA-N 1 2 337.427 3.603 20 0 EHADLO CCC[C@H]([NH2+]Cc1nn(CC)c2ccccc12)c1nnc2ccccn21 ZINC000472062737 1024555453 /nfs/dbraw/zinc/55/54/53/1024555453.db2.gz KYUSUYSXLGLJNI-INIZCTEOSA-N 1 2 348.454 3.730 20 0 EHADLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428801 1024558268 /nfs/dbraw/zinc/55/82/68/1024558268.db2.gz NUUDPDVUBCIDNU-GHMZBOCLSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428801 1024558275 /nfs/dbraw/zinc/55/82/75/1024558275.db2.gz NUUDPDVUBCIDNU-GHMZBOCLSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428812 1024558547 /nfs/dbraw/zinc/55/85/47/1024558547.db2.gz NUUDPDVUBCIDNU-WDEREUQCSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428812 1024558552 /nfs/dbraw/zinc/55/85/52/1024558552.db2.gz NUUDPDVUBCIDNU-WDEREUQCSA-N 1 2 337.769 3.831 20 0 EHADLO Fc1ccc(/C=C/C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1 ZINC000435029912 1024570741 /nfs/dbraw/zinc/57/07/41/1024570741.db2.gz XOXYOIPFBVFFAC-ONEGZZNKSA-N 1 2 327.334 3.818 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c[nH+]1 ZINC000895536576 1024594912 /nfs/dbraw/zinc/59/49/12/1024594912.db2.gz LLCQQCNNOHAVLZ-UHFFFAOYSA-N 1 2 348.450 3.724 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000185312991 1024598868 /nfs/dbraw/zinc/59/88/68/1024598868.db2.gz MDVJTCDGZZJTDN-DZGCQCFKSA-N 1 2 335.835 3.640 20 0 EHADLO COC(=O)C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CCCC1 ZINC000474232602 1024612118 /nfs/dbraw/zinc/61/21/18/1024612118.db2.gz PCBACASMINYQDP-UHFFFAOYSA-N 1 2 348.830 3.913 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CCCC1 ZINC000474232602 1024612123 /nfs/dbraw/zinc/61/21/23/1024612123.db2.gz PCBACASMINYQDP-UHFFFAOYSA-N 1 2 348.830 3.913 20 0 EHADLO CCOC(=O)C[N@H+](CC)C/C(C)=C\c1ccccc1OC(F)F ZINC000514637142 1024626063 /nfs/dbraw/zinc/62/60/63/1024626063.db2.gz LSWYPLNFRPWKKB-RAXLEYEMSA-N 1 2 327.371 3.576 20 0 EHADLO CCOC(=O)C[N@@H+](CC)C/C(C)=C\c1ccccc1OC(F)F ZINC000514637142 1024626065 /nfs/dbraw/zinc/62/60/65/1024626065.db2.gz LSWYPLNFRPWKKB-RAXLEYEMSA-N 1 2 327.371 3.576 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccccc2N2CCCC2)c(C)[nH+]1 ZINC000653178387 1024644308 /nfs/dbraw/zinc/64/43/08/1024644308.db2.gz KZYVKYZPWNFMST-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474259304 1024656235 /nfs/dbraw/zinc/65/62/35/1024656235.db2.gz NKSUIGGTCUMVJQ-DLBZAZTESA-N 1 2 328.460 3.738 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000430133378 1024662714 /nfs/dbraw/zinc/66/27/14/1024662714.db2.gz NNWUCMRCLPPIHX-UHFFFAOYSA-N 1 2 344.381 3.577 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([S@@](C)=O)cc1 ZINC000281109147 1024665675 /nfs/dbraw/zinc/66/56/75/1024665675.db2.gz LRYNJQCEHRPZKW-YGWIHHTISA-N 1 2 345.361 3.831 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000281131365 1024682198 /nfs/dbraw/zinc/68/21/98/1024682198.db2.gz NKNIPKYRHVYDOK-GOSISDBHSA-N 1 2 329.444 3.647 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000281131365 1024682202 /nfs/dbraw/zinc/68/22/02/1024682202.db2.gz NKNIPKYRHVYDOK-GOSISDBHSA-N 1 2 329.444 3.647 20 0 EHADLO CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000425301479 1024699638 /nfs/dbraw/zinc/69/96/38/1024699638.db2.gz MDFJTZMFXJYIBN-IRXDYDNUSA-N 1 2 325.456 3.969 20 0 EHADLO CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000425303603 1024703246 /nfs/dbraw/zinc/70/32/46/1024703246.db2.gz KUKZCPKYXLEHIL-MRXNPFEDSA-N 1 2 347.409 3.968 20 0 EHADLO CCSCc1cccnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000895688939 1024720658 /nfs/dbraw/zinc/72/06/58/1024720658.db2.gz QRMAJRYMJHXLLL-UHFFFAOYSA-N 1 2 328.485 3.811 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000346436333 1024732437 /nfs/dbraw/zinc/73/24/37/1024732437.db2.gz QHELDBIKSGGJCA-UHFFFAOYSA-N 1 2 335.407 3.787 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(F)c(C)c3)nc(N)c2c1C ZINC000342294050 1024742830 /nfs/dbraw/zinc/74/28/30/1024742830.db2.gz HKMDNEQQXSWOGC-LLVKDONJSA-N 1 2 328.391 3.720 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000342295922 1024745305 /nfs/dbraw/zinc/74/53/05/1024745305.db2.gz FFSGJUHBZWWMCH-UHFFFAOYSA-N 1 2 346.390 3.644 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H]1CC[C@H]1SC ZINC000425333105 1024793776 /nfs/dbraw/zinc/79/37/76/1024793776.db2.gz FFAMRCAZXRYHLV-DOTOQJQBSA-N 1 2 336.501 3.616 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1csc2ccccc12 ZINC000346485326 1024794098 /nfs/dbraw/zinc/79/40/98/1024794098.db2.gz MGLOQSYBELPRFF-INIZCTEOSA-N 1 2 327.453 3.815 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1csc2ccccc12 ZINC000346485326 1024794110 /nfs/dbraw/zinc/79/41/10/1024794110.db2.gz MGLOQSYBELPRFF-INIZCTEOSA-N 1 2 327.453 3.815 20 0 EHADLO CC[C@@H](C)CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000508011557 1024827332 /nfs/dbraw/zinc/82/73/32/1024827332.db2.gz FKLKPYKLQZTQET-OAHLLOKOSA-N 1 2 329.444 3.548 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427861442 1024848700 /nfs/dbraw/zinc/84/87/00/1024848700.db2.gz CZIGBUBYYMWCOT-DLBZAZTESA-N 1 2 339.426 3.884 20 0 EHADLO CCOC[C@H]1CCC[C@@H]1Nc1ccccc1OCCn1cc[nH+]c1 ZINC000474377922 1024854492 /nfs/dbraw/zinc/85/44/92/1024854492.db2.gz SFMMPQZWMSPVSB-SJORKVTESA-N 1 2 329.444 3.579 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000895827066 1024864877 /nfs/dbraw/zinc/86/48/77/1024864877.db2.gz BXTVFLJQVDCDKD-UHFFFAOYSA-N 1 2 345.270 3.739 20 0 EHADLO CCn1cc(C[N@H+](Cc2cccs2)Cc2ccncc2)c(C)n1 ZINC000897929518 1033243361 /nfs/dbraw/zinc/24/33/61/1033243361.db2.gz VULWCYPSTICZLN-UHFFFAOYSA-N 1 2 326.469 3.870 20 0 EHADLO CCn1cc(C[N@@H+](Cc2cccs2)Cc2ccncc2)c(C)n1 ZINC000897929518 1033243379 /nfs/dbraw/zinc/24/33/79/1033243379.db2.gz VULWCYPSTICZLN-UHFFFAOYSA-N 1 2 326.469 3.870 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000346552887 1024892136 /nfs/dbraw/zinc/89/21/36/1024892136.db2.gz JJYRAFLNOABEFC-HXUWFJFHSA-N 1 2 336.414 3.561 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346553132 1024892420 /nfs/dbraw/zinc/89/24/20/1024892420.db2.gz BRIPOWXQEJDHIN-QGZVFWFLSA-N 1 2 333.395 3.654 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346553132 1024892439 /nfs/dbraw/zinc/89/24/39/1024892439.db2.gz BRIPOWXQEJDHIN-QGZVFWFLSA-N 1 2 333.395 3.654 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000563212193 1024896562 /nfs/dbraw/zinc/89/65/62/1024896562.db2.gz QQJFBUIYDBKFNJ-IAOVAPTHSA-N 1 2 343.389 3.630 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000563212193 1024896573 /nfs/dbraw/zinc/89/65/73/1024896573.db2.gz QQJFBUIYDBKFNJ-IAOVAPTHSA-N 1 2 343.389 3.630 20 0 EHADLO CCn1cc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)nn1 ZINC000895860776 1024904381 /nfs/dbraw/zinc/90/43/81/1024904381.db2.gz HBKZMKYLOWGNFX-GOSISDBHSA-N 1 2 338.459 3.586 20 0 EHADLO O=C(NCc1c(F)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342331344 1024914253 /nfs/dbraw/zinc/91/42/53/1024914253.db2.gz DSBAHLFMLGOILS-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CCC(CC)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000428003374 1024922704 /nfs/dbraw/zinc/92/27/04/1024922704.db2.gz CJBSNEXNUPRDBS-INIZCTEOSA-N 1 2 345.874 3.726 20 0 EHADLO Cc1cc(C)c2cc(N[C@@H]3CCOC4(CCOCC4)C3)ccc2[nH+]1 ZINC000895874737 1024923711 /nfs/dbraw/zinc/92/37/11/1024923711.db2.gz FEYOYKCDFMNOBF-QGZVFWFLSA-N 1 2 326.440 3.992 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000346614530 1024926901 /nfs/dbraw/zinc/92/69/01/1024926901.db2.gz YVVDXIHLPHMDAB-UHFFFAOYSA-N 1 2 348.384 3.835 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000346614530 1024926906 /nfs/dbraw/zinc/92/69/06/1024926906.db2.gz YVVDXIHLPHMDAB-UHFFFAOYSA-N 1 2 348.384 3.835 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@H]1CCn4cc[nH+]c4C1)(C2)C3 ZINC000427993247 1024927663 /nfs/dbraw/zinc/92/76/63/1024927663.db2.gz NZGRYHRPGBETJL-GSEWJITGSA-N 1 2 341.499 3.701 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009487 1024936791 /nfs/dbraw/zinc/93/67/91/1024936791.db2.gz IAEJQPPHHPJTSE-OAHLLOKOSA-N 1 2 337.448 3.665 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009486 1024937019 /nfs/dbraw/zinc/93/70/19/1024937019.db2.gz IAEJQPPHHPJTSE-HNNXBMFYSA-N 1 2 337.448 3.665 20 0 EHADLO CCc1nn(C)cc1C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346612127 1024953495 /nfs/dbraw/zinc/95/34/95/1024953495.db2.gz SKEWPSOBQYKWBJ-IBGZPJMESA-N 1 2 342.393 3.535 20 0 EHADLO CSCc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000346635807 1024975777 /nfs/dbraw/zinc/97/57/77/1024975777.db2.gz TYKULVRNULSHBW-UHFFFAOYSA-N 1 2 349.419 3.847 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC[C@@H](C)C[C@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516818 1024981350 /nfs/dbraw/zinc/98/13/50/1024981350.db2.gz JGKMYPGBQYHACD-DOMZBBRYSA-N 1 2 340.427 3.841 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC[C@@H](C)C[C@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516818 1024981360 /nfs/dbraw/zinc/98/13/60/1024981360.db2.gz JGKMYPGBQYHACD-DOMZBBRYSA-N 1 2 340.427 3.841 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1OC(F)F ZINC000042103382 1024986413 /nfs/dbraw/zinc/98/64/13/1024986413.db2.gz HXMXBDPXGMDJPK-LBPRGKRZSA-N 1 2 333.342 3.528 20 0 EHADLO Cc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)nc(C2CC2)[nH+]1 ZINC000346663384 1025000506 /nfs/dbraw/zinc/00/05/06/1025000506.db2.gz XXIIVNOHHVJPLP-UHFFFAOYSA-N 1 2 348.903 3.700 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@H](c3cnn(C)c3)C(C)(C)C)o2)cc1 ZINC000342345041 1025001338 /nfs/dbraw/zinc/00/13/38/1025001338.db2.gz OQMXUNZLJQEPJT-QGZVFWFLSA-N 1 2 339.443 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cscc2C(F)F)c1C ZINC000895979923 1025037226 /nfs/dbraw/zinc/03/72/26/1025037226.db2.gz BFGFOBCQBMTBCS-UHFFFAOYSA-N 1 2 340.395 3.978 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001167533527 1025041709 /nfs/dbraw/zinc/04/17/09/1025041709.db2.gz FVNGWZYXHIVAHY-WFASDCNBSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001167533527 1025041722 /nfs/dbraw/zinc/04/17/22/1025041722.db2.gz FVNGWZYXHIVAHY-WFASDCNBSA-N 1 2 346.368 3.619 20 0 EHADLO Cc1cnc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000428230863 1025065099 /nfs/dbraw/zinc/06/50/99/1025065099.db2.gz TUKGQKACHBGHSP-JKSUJKDBSA-N 1 2 344.890 3.878 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000515211141 1025094035 /nfs/dbraw/zinc/09/40/35/1025094035.db2.gz NPRJYAQPQUJSSJ-INIZCTEOSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000515211141 1025094044 /nfs/dbraw/zinc/09/40/44/1025094044.db2.gz NPRJYAQPQUJSSJ-INIZCTEOSA-N 1 2 343.496 3.704 20 0 EHADLO CCCCOC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000342373702 1025106469 /nfs/dbraw/zinc/10/64/69/1025106469.db2.gz NJCSROQWPSSSTD-UHFFFAOYSA-N 1 2 348.878 3.702 20 0 EHADLO Cn1ccc([C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2ccc(F)cc2)n1 ZINC000665269201 1025108504 /nfs/dbraw/zinc/10/85/04/1025108504.db2.gz BHXBBEVQIJHROG-ICSRJNTNSA-N 1 2 336.414 3.508 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)Cc1ccccn1 ZINC000342379951 1025125891 /nfs/dbraw/zinc/12/58/91/1025125891.db2.gz UMGGUDJXWXQWHP-FQEVSTJZSA-N 1 2 339.483 3.807 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)Cc1ccccn1 ZINC000342379951 1025125896 /nfs/dbraw/zinc/12/58/96/1025125896.db2.gz UMGGUDJXWXQWHP-FQEVSTJZSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]1 ZINC000442010123 1025137590 /nfs/dbraw/zinc/13/75/90/1025137590.db2.gz ZPALRFFXYYAJLB-SFHVURJKSA-N 1 2 336.439 3.616 20 0 EHADLO COc1ncccc1-c1noc([C@@H]2CCC[C@H](c3ccccc3)[NH2+]2)n1 ZINC001211886288 1025163042 /nfs/dbraw/zinc/16/30/42/1025163042.db2.gz YUWFDMCZKCSIEW-CVEARBPZSA-N 1 2 336.395 3.696 20 0 EHADLO CC[C@@H](C)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442234413 1025228224 /nfs/dbraw/zinc/22/82/24/1025228224.db2.gz ALXWLJBTWQTBJJ-AEFFLSMTSA-N 1 2 328.460 3.681 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@H]3COc4cccc(Cl)c43)cnc21 ZINC000342409763 1025244343 /nfs/dbraw/zinc/24/43/43/1025244343.db2.gz AFFZTTIYYKOJCY-HNNXBMFYSA-N 1 2 342.830 3.889 20 0 EHADLO c1cc([C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cs1 ZINC000425426938 1025260015 /nfs/dbraw/zinc/26/00/15/1025260015.db2.gz SXTYQTGUAPXMEM-IBGZPJMESA-N 1 2 337.448 3.779 20 0 EHADLO c1cc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cs1 ZINC000425426938 1025260025 /nfs/dbraw/zinc/26/00/25/1025260025.db2.gz SXTYQTGUAPXMEM-IBGZPJMESA-N 1 2 337.448 3.779 20 0 EHADLO CSC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000602921825 1033265776 /nfs/dbraw/zinc/26/57/76/1033265776.db2.gz NNFLYEYJNFYKAT-UHFFFAOYSA-N 1 2 330.284 3.969 20 0 EHADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC000896246284 1025274917 /nfs/dbraw/zinc/27/49/17/1025274917.db2.gz PEKNFWXGHDFECA-OLZOCXBDSA-N 1 2 325.441 3.512 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000521267788 1025298108 /nfs/dbraw/zinc/29/81/08/1025298108.db2.gz ZLLFUIJZRWKCJG-SFHVURJKSA-N 1 2 347.462 3.860 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000521267788 1025298117 /nfs/dbraw/zinc/29/81/17/1025298117.db2.gz ZLLFUIJZRWKCJG-SFHVURJKSA-N 1 2 347.462 3.860 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccccc1 ZINC000453273027 1025306165 /nfs/dbraw/zinc/30/61/65/1025306165.db2.gz VWBNSFOWXQCSHB-LBPRGKRZSA-N 1 2 341.274 3.691 20 0 EHADLO CC(C)CC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000442422344 1025308894 /nfs/dbraw/zinc/30/88/94/1025308894.db2.gz VWDDJHNZXGSGOO-TWGQIWQCSA-N 1 2 326.484 3.670 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc(C)n1-c1ccccc1 ZINC000436025153 1025309240 /nfs/dbraw/zinc/30/92/40/1025309240.db2.gz VBMMJXPIFVAAHO-UHFFFAOYSA-N 1 2 349.413 3.723 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+][C@H]2COc3cccc(Cl)c32)cn1 ZINC000342420106 1025341831 /nfs/dbraw/zinc/34/18/31/1025341831.db2.gz PZRDXUMBTIPHMM-HNNXBMFYSA-N 1 2 331.847 3.803 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1OC ZINC000281685418 1025370958 /nfs/dbraw/zinc/37/09/58/1025370958.db2.gz OXKIKEULXGKDEC-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(F)c(Cl)c1 ZINC000346974351 1025372731 /nfs/dbraw/zinc/37/27/31/1025372731.db2.gz OYCGNNSHDXCKDL-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(F)c(Cl)c1 ZINC000346974351 1025372742 /nfs/dbraw/zinc/37/27/42/1025372742.db2.gz OYCGNNSHDXCKDL-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347000408 1025377634 /nfs/dbraw/zinc/37/76/34/1025377634.db2.gz GJIGLWZFRSSASI-AWEZNQCLSA-N 1 2 345.874 3.710 20 0 EHADLO O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281705899 1025397661 /nfs/dbraw/zinc/39/76/61/1025397661.db2.gz CEHWVZKHFCGTHS-AWEZNQCLSA-N 1 2 345.393 3.517 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c[nH+]1 ZINC000515601670 1025398917 /nfs/dbraw/zinc/39/89/17/1025398917.db2.gz PEMGOWRUGJRYCQ-PPUGGXLSSA-N 1 2 345.393 3.722 20 0 EHADLO CO[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770502 1025406922 /nfs/dbraw/zinc/40/69/22/1025406922.db2.gz CDUKUPMBEBDXKV-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770502 1025406924 /nfs/dbraw/zinc/40/69/24/1025406924.db2.gz CDUKUPMBEBDXKV-JTQLQIEISA-N 1 2 334.204 3.728 20 0 EHADLO C[C@H]1CC[C@@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000582141291 1025411174 /nfs/dbraw/zinc/41/11/74/1025411174.db2.gz MTGWUIFQOVKCNU-YOEHRIQHSA-N 1 2 346.862 3.547 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001141892289 1025431441 /nfs/dbraw/zinc/43/14/41/1025431441.db2.gz IZNNVUPURZMZGP-UWVGGRQHSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001141892289 1025431450 /nfs/dbraw/zinc/43/14/50/1025431450.db2.gz IZNNVUPURZMZGP-UWVGGRQHSA-N 1 2 348.643 3.710 20 0 EHADLO CC1(C)OCc2cc(C[NH2+][C@H]3c4ccccc4OC[C@H]3F)ccc2O1 ZINC000896421846 1025432127 /nfs/dbraw/zinc/43/21/27/1025432127.db2.gz CVAFEDOIAKKQFW-APWZRJJASA-N 1 2 343.398 3.893 20 0 EHADLO Cc1ccc2c(C(=O)NCCc3cn4c([nH+]3)CCCC4)csc2c1 ZINC000347032210 1025439824 /nfs/dbraw/zinc/43/98/24/1025439824.db2.gz ZHAKCHRSUKLMLJ-UHFFFAOYSA-N 1 2 339.464 3.715 20 0 EHADLO O=C(Cc1ccc(O)cc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436177634 1025447499 /nfs/dbraw/zinc/44/74/99/1025447499.db2.gz SXHPIZJKJMKLOF-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO Cn1ncc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc21 ZINC000521521314 1025451806 /nfs/dbraw/zinc/45/18/06/1025451806.db2.gz UAFFYCPETQWXSQ-QGZVFWFLSA-N 1 2 329.394 3.929 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C3(CC(C)C)CC3)CC2)s1 ZINC000442724844 1025455207 /nfs/dbraw/zinc/45/52/07/1025455207.db2.gz SPJBAIKPTHXANI-UHFFFAOYSA-N 1 2 334.529 3.781 20 0 EHADLO CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1cccc(C)c1 ZINC000474784098 1025463298 /nfs/dbraw/zinc/46/32/98/1025463298.db2.gz OGINYDQZWAQYMO-UHFFFAOYSA-N 1 2 343.377 3.984 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3C[C@@H]4C[C@H]3CS4)c12 ZINC000413454116 1025487584 /nfs/dbraw/zinc/48/75/84/1025487584.db2.gz LIYYMEBWXNSVQJ-IUCAKERBSA-N 1 2 339.233 3.831 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cs1 ZINC000442793869 1025488395 /nfs/dbraw/zinc/48/83/95/1025488395.db2.gz BQWCMEDMVNLDCN-CYBMUJFWSA-N 1 2 329.469 3.854 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)ccc1SC ZINC000442873818 1025544460 /nfs/dbraw/zinc/54/44/60/1025544460.db2.gz ABLXIIDHOBJJQS-UHFFFAOYSA-N 1 2 345.390 3.791 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)ccc1SC ZINC000442873818 1025544478 /nfs/dbraw/zinc/54/44/78/1025544478.db2.gz ABLXIIDHOBJJQS-UHFFFAOYSA-N 1 2 345.390 3.791 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2n[nH]cc2Br)c(C)c1 ZINC000657366803 1025566319 /nfs/dbraw/zinc/56/63/19/1025566319.db2.gz CKTNKYFIGVNDPG-UHFFFAOYSA-N 1 2 338.249 3.559 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4coc5ccccc45)no3)c2)c[nH+]1 ZINC000347143258 1025567427 /nfs/dbraw/zinc/56/74/27/1025567427.db2.gz WYUUIDXVWBENQN-UHFFFAOYSA-N 1 2 329.319 3.731 20 0 EHADLO Cn1nc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)cc1C(F)(F)F ZINC000898020099 1033291494 /nfs/dbraw/zinc/29/14/94/1033291494.db2.gz YBYYGMRCVATSDM-UHFFFAOYSA-N 1 2 344.724 3.523 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141594 1025575845 /nfs/dbraw/zinc/57/58/45/1025575845.db2.gz FCXRVOXOPBQCBS-QCNOEVLYSA-N 1 2 335.370 3.718 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141594 1025575865 /nfs/dbraw/zinc/57/58/65/1025575865.db2.gz FCXRVOXOPBQCBS-QCNOEVLYSA-N 1 2 335.370 3.718 20 0 EHADLO CCc1c(C(=O)C[NH+]2CCC3(CCCC3)CC2)[nH]c(C)c1C(C)=O ZINC000582208593 1025577325 /nfs/dbraw/zinc/57/73/25/1025577325.db2.gz FKXRLTDRYMGHDQ-UHFFFAOYSA-N 1 2 330.472 3.927 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000281837042 1025583732 /nfs/dbraw/zinc/58/37/32/1025583732.db2.gz HRSUZHRBCPJNMB-HBUWYVDXSA-N 1 2 339.439 3.638 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1c[nH]nc1-c1ccccc1)C2 ZINC000530288512 1025597072 /nfs/dbraw/zinc/59/70/72/1025597072.db2.gz CHWANTHBAVEOGS-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1c[nH]nc1-c1ccccc1)CC2 ZINC000530288512 1025597084 /nfs/dbraw/zinc/59/70/84/1025597084.db2.gz CHWANTHBAVEOGS-CQSZACIVSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCc3sccc31)C2 ZINC000530293439 1025604485 /nfs/dbraw/zinc/60/44/85/1025604485.db2.gz SPMBUZYAYWJYKT-TZMCWYRMSA-N 1 2 343.496 3.893 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCc3sccc31)CC2 ZINC000530293439 1025604492 /nfs/dbraw/zinc/60/44/92/1025604492.db2.gz SPMBUZYAYWJYKT-TZMCWYRMSA-N 1 2 343.496 3.893 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000431375287 1025612675 /nfs/dbraw/zinc/61/26/75/1025612675.db2.gz JXIRSENPGDVXQR-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(C)CCC(C)CC1)C2 ZINC000530303338 1025622376 /nfs/dbraw/zinc/62/23/76/1025622376.db2.gz FSZGBXUIERAJNY-RDYUPDBUSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(C)CCC(C)CC1)CC2 ZINC000530303338 1025622388 /nfs/dbraw/zinc/62/23/88/1025622388.db2.gz FSZGBXUIERAJNY-RDYUPDBUSA-N 1 2 331.504 3.971 20 0 EHADLO COc1cc(C)c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000530310493 1025633132 /nfs/dbraw/zinc/63/31/32/1025633132.db2.gz LLWMGZJQNSZQFR-AWEZNQCLSA-N 1 2 341.455 3.902 20 0 EHADLO COc1cc(C)c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000530310493 1025633140 /nfs/dbraw/zinc/63/31/40/1025633140.db2.gz LLWMGZJQNSZQFR-AWEZNQCLSA-N 1 2 341.455 3.902 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(C)no2)o1 ZINC000303757269 1025671801 /nfs/dbraw/zinc/67/18/01/1025671801.db2.gz BSVXWPFBWHVRQT-OAHLLOKOSA-N 1 2 331.416 3.694 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(C)no2)o1 ZINC000303757269 1025671813 /nfs/dbraw/zinc/67/18/13/1025671813.db2.gz BSVXWPFBWHVRQT-OAHLLOKOSA-N 1 2 331.416 3.694 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(F)ccc3OCC3CC3)ccn12 ZINC000582250312 1025687181 /nfs/dbraw/zinc/68/71/81/1025687181.db2.gz OGMGJWTXPFYZKQ-UHFFFAOYSA-N 1 2 339.370 3.823 20 0 EHADLO CCc1ccnc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)c1 ZINC000347230258 1025698878 /nfs/dbraw/zinc/69/88/78/1025698878.db2.gz YVCYRTCZWHNUGZ-UHFFFAOYSA-N 1 2 331.379 3.855 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000281919342 1025701872 /nfs/dbraw/zinc/70/18/72/1025701872.db2.gz AJZWPTZMJJINAK-APWZRJJASA-N 1 2 330.472 3.673 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000521822520 1025708690 /nfs/dbraw/zinc/70/86/90/1025708690.db2.gz UKQFNOSOSGCBOT-JTQLQIEISA-N 1 2 342.226 3.921 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000521822520 1025708697 /nfs/dbraw/zinc/70/86/97/1025708697.db2.gz UKQFNOSOSGCBOT-JTQLQIEISA-N 1 2 342.226 3.921 20 0 EHADLO COC(=O)[C@H](CNc1cc[nH+]c2c(OC)cccc12)c1ccccc1 ZINC000436434349 1025714843 /nfs/dbraw/zinc/71/48/43/1025714843.db2.gz RGSKVXFVEOZSPD-MRXNPFEDSA-N 1 2 336.391 3.612 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257005 1025732124 /nfs/dbraw/zinc/73/21/24/1025732124.db2.gz FRNHSZIIHQNZCN-XVSDVWIESA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257005 1025732137 /nfs/dbraw/zinc/73/21/37/1025732137.db2.gz FRNHSZIIHQNZCN-XVSDVWIESA-N 1 2 335.369 3.826 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000277534104 1025741664 /nfs/dbraw/zinc/74/16/64/1025741664.db2.gz YPPLSHRDPWLFFZ-UONOGXRCSA-N 1 2 346.475 3.965 20 0 EHADLO Clc1cnc(CNc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000349704638 1025747038 /nfs/dbraw/zinc/74/70/38/1025747038.db2.gz SJBJKVOAVWUXEA-UHFFFAOYSA-N 1 2 334.832 3.684 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nc1 ZINC000342475931 1025762913 /nfs/dbraw/zinc/76/29/13/1025762913.db2.gz CSYSQHGEJJTWJF-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nc1 ZINC000342475931 1025762926 /nfs/dbraw/zinc/76/29/26/1025762926.db2.gz CSYSQHGEJJTWJF-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000119729666 1025765679 /nfs/dbraw/zinc/76/56/79/1025765679.db2.gz NCDWKMSGDVKPNE-UHFFFAOYSA-N 1 2 349.482 3.591 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000119729666 1025765698 /nfs/dbraw/zinc/76/56/98/1025765698.db2.gz NCDWKMSGDVKPNE-UHFFFAOYSA-N 1 2 349.482 3.591 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCSC1 ZINC000425573630 1025788422 /nfs/dbraw/zinc/78/84/22/1025788422.db2.gz PUHBTFHQRFLDAT-ZDUSSCGKSA-N 1 2 327.453 3.578 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1(F)F ZINC000425578151 1025803328 /nfs/dbraw/zinc/80/33/28/1025803328.db2.gz VOBDXCMFWHUCRV-IAQYHMDHSA-N 1 2 331.366 3.726 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000521943465 1025810143 /nfs/dbraw/zinc/81/01/43/1025810143.db2.gz BGOVWJKUMBGKAA-QZTJIDSGSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1[C@H]1CCCO1 ZINC000521943465 1025810165 /nfs/dbraw/zinc/81/01/65/1025810165.db2.gz BGOVWJKUMBGKAA-QZTJIDSGSA-N 1 2 347.409 3.540 20 0 EHADLO FC(F)Sc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000143197867 1025820784 /nfs/dbraw/zinc/82/07/84/1025820784.db2.gz QMVGNECGXXUIJM-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO FC(F)Sc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000143197867 1025820808 /nfs/dbraw/zinc/82/08/08/1025820808.db2.gz QMVGNECGXXUIJM-UHFFFAOYSA-N 1 2 349.450 3.714 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)c(OC(C)(C)C)c1 ZINC000657390254 1025826607 /nfs/dbraw/zinc/82/66/07/1025826607.db2.gz VREKEDCLPLWTGB-UHFFFAOYSA-N 1 2 328.460 3.779 20 0 EHADLO OC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1cccc(Cl)c1Cl ZINC000664565758 1025828410 /nfs/dbraw/zinc/82/84/10/1025828410.db2.gz TZTXFJFDFKVFCP-GFCCVEGCSA-N 1 2 339.226 3.503 20 0 EHADLO OC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1cccc(Cl)c1Cl ZINC000664565758 1025828435 /nfs/dbraw/zinc/82/84/35/1025828435.db2.gz TZTXFJFDFKVFCP-GFCCVEGCSA-N 1 2 339.226 3.503 20 0 EHADLO CC(C)c1cnc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000530433912 1025830320 /nfs/dbraw/zinc/83/03/20/1025830320.db2.gz CGVPVXDVZJHNSC-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1cnc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000530433912 1025830341 /nfs/dbraw/zinc/83/03/41/1025830341.db2.gz CGVPVXDVZJHNSC-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO CS[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328091 1025833010 /nfs/dbraw/zinc/83/30/10/1025833010.db2.gz UKJPJIQXBOUTEM-RISCZKNCSA-N 1 2 345.295 3.536 20 0 EHADLO CS[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328091 1025833030 /nfs/dbraw/zinc/83/30/30/1025833030.db2.gz UKJPJIQXBOUTEM-RISCZKNCSA-N 1 2 345.295 3.536 20 0 EHADLO CCCOc1ccccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051585467 1025833159 /nfs/dbraw/zinc/83/31/59/1025833159.db2.gz FQTPTYNRSSKLSQ-UHFFFAOYSA-N 1 2 343.427 3.818 20 0 EHADLO CC(C)CCOc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000474920103 1025859058 /nfs/dbraw/zinc/85/90/58/1025859058.db2.gz XPOOUQVFIQDXSD-UHFFFAOYSA-N 1 2 337.423 3.689 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncccc2F)c(Br)c1 ZINC000530476644 1025887026 /nfs/dbraw/zinc/88/70/26/1025887026.db2.gz KQBUINRNBZLINH-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO O=C1[C@H]([NH+]2CCC(CF)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000451391164 1025915156 /nfs/dbraw/zinc/91/51/56/1025915156.db2.gz FSHWOWAAAHJJAS-OAHLLOKOSA-N 1 2 345.245 3.780 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404074 1025935867 /nfs/dbraw/zinc/93/58/67/1025935867.db2.gz FRGXSBYRAAYRTO-PSASIEDQSA-N 1 2 329.288 3.602 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404074 1025935885 /nfs/dbraw/zinc/93/58/85/1025935885.db2.gz FRGXSBYRAAYRTO-PSASIEDQSA-N 1 2 329.288 3.602 20 0 EHADLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1c(C)ccc2ccccc21 ZINC000425592856 1025939590 /nfs/dbraw/zinc/93/95/90/1025939590.db2.gz VTKIWAKSRFKEAH-UHFFFAOYSA-N 1 2 338.407 3.948 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000516085914 1025965245 /nfs/dbraw/zinc/96/52/45/1025965245.db2.gz SOKRXKFDMZALIZ-HNNXBMFYSA-N 1 2 329.444 3.676 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000516085914 1025965261 /nfs/dbraw/zinc/96/52/61/1025965261.db2.gz SOKRXKFDMZALIZ-HNNXBMFYSA-N 1 2 329.444 3.676 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)ccc2[nH+]1 ZINC000329531749 1025969086 /nfs/dbraw/zinc/96/90/86/1025969086.db2.gz JNBZAQJSLYCKEE-QGZVFWFLSA-N 1 2 335.407 3.789 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)[nH+]c1C ZINC000896913684 1025968935 /nfs/dbraw/zinc/96/89/35/1025968935.db2.gz VJUMZFNFYRZOKZ-WMLDXEAASA-N 1 2 335.492 3.798 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CC(F)F)c1ccccc1 ZINC000342515695 1026020648 /nfs/dbraw/zinc/02/06/48/1026020648.db2.gz LBOUKFDALXGCRE-UHFFFAOYSA-N 1 2 341.361 3.843 20 0 EHADLO ClC1(Cl)C[C@@H]1c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000896801644 1026042901 /nfs/dbraw/zinc/04/29/01/1026042901.db2.gz PYOIPEHWUNKSNG-GFCCVEGCSA-N 1 2 335.194 3.643 20 0 EHADLO Fc1ccccc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103169044 1026052903 /nfs/dbraw/zinc/05/29/03/1026052903.db2.gz HKHUIGQBBFCIRQ-UHFFFAOYSA-N 1 2 342.395 3.968 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)[nH+]c1C ZINC000896923145 1026061471 /nfs/dbraw/zinc/06/14/71/1026061471.db2.gz HKUPSZHONZRSGR-OAHLLOKOSA-N 1 2 329.444 3.542 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000895185341 1026063563 /nfs/dbraw/zinc/06/35/63/1026063563.db2.gz ZFGPMMWUFXYLNP-FUHWJXTLSA-N 1 2 331.456 3.590 20 0 EHADLO C[C@H](CC(F)(F)F)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820473 1026081096 /nfs/dbraw/zinc/08/10/96/1026081096.db2.gz HSBVSHKOHRMQOJ-LLVKDONJSA-N 1 2 336.317 3.902 20 0 EHADLO CSc1nc(C(F)F)cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC000895194384 1026092066 /nfs/dbraw/zinc/09/20/66/1026092066.db2.gz CLQZSKFBMPOKFS-LLVKDONJSA-N 1 2 339.415 3.818 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@H]1C ZINC000451544675 1026092350 /nfs/dbraw/zinc/09/23/50/1026092350.db2.gz QEVCVQPUCPPTTK-GDBMZVCRSA-N 1 2 338.879 3.642 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@H]1C ZINC000451544675 1026092369 /nfs/dbraw/zinc/09/23/69/1026092369.db2.gz QEVCVQPUCPPTTK-GDBMZVCRSA-N 1 2 338.879 3.642 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cnc3cc(Cl)ccc3n2)[nH+]c1C ZINC000895195995 1026095113 /nfs/dbraw/zinc/09/51/13/1026095113.db2.gz HEPYRKGJZNEDRB-OAHLLOKOSA-N 1 2 327.819 3.965 20 0 EHADLO C[C@H](Cc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)C(F)(F)F ZINC000896822038 1026107622 /nfs/dbraw/zinc/10/76/22/1026107622.db2.gz YWQQOKMLPFQNLE-LLVKDONJSA-N 1 2 336.317 3.587 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000631317609 1026112201 /nfs/dbraw/zinc/11/22/01/1026112201.db2.gz NUNGAMLADIKCHE-FQEVSTJZSA-N 1 2 348.450 3.632 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000451565813 1026119000 /nfs/dbraw/zinc/11/90/00/1026119000.db2.gz IKMSHBSVCJPECY-ZWNOBZJWSA-N 1 2 336.233 3.691 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000451565813 1026119011 /nfs/dbraw/zinc/11/90/11/1026119011.db2.gz IKMSHBSVCJPECY-ZWNOBZJWSA-N 1 2 336.233 3.691 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCn4c[nH+]cc4C3)cc2C1 ZINC000516222417 1026132181 /nfs/dbraw/zinc/13/21/81/1026132181.db2.gz MFCOCKRAJIVGDH-AWEZNQCLSA-N 1 2 343.496 3.752 20 0 EHADLO CCOC(=O)c1nc(C[NH+]2CCC(n3c(C)ccc3C)CC2)cs1 ZINC000530665495 1026179902 /nfs/dbraw/zinc/17/99/02/1026179902.db2.gz IZGZCOJIMXQTPS-UHFFFAOYSA-N 1 2 347.484 3.575 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@@H]3C)n2)cc1 ZINC000530662467 1026196900 /nfs/dbraw/zinc/19/69/00/1026196900.db2.gz KFMJUEGSFIBPDM-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCc4ccccc4[C@@H]3C)n2)cc1 ZINC000530662467 1026196905 /nfs/dbraw/zinc/19/69/05/1026196905.db2.gz KFMJUEGSFIBPDM-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000158663914 1026226212 /nfs/dbraw/zinc/22/62/12/1026226212.db2.gz DVPZXKYUZFPRQQ-LLVKDONJSA-N 1 2 345.436 3.937 20 0 EHADLO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000158663914 1026226222 /nfs/dbraw/zinc/22/62/22/1026226222.db2.gz DVPZXKYUZFPRQQ-LLVKDONJSA-N 1 2 345.436 3.937 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000043288963 1026248008 /nfs/dbraw/zinc/24/80/08/1026248008.db2.gz DWTFFNLDCWKHCA-AWEZNQCLSA-N 1 2 340.452 3.553 20 0 EHADLO Fc1ccc(Br)cc1C[NH2+]Cc1cn2ccccc2n1 ZINC000048436838 1026252623 /nfs/dbraw/zinc/25/26/23/1026252623.db2.gz LTGUGPOBAKSHRZ-UHFFFAOYSA-N 1 2 334.192 3.526 20 0 EHADLO C[C@@H]1C[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000582447585 1026278503 /nfs/dbraw/zinc/27/85/03/1026278503.db2.gz UCPUPJJNSZPPCE-HUUCEWRRSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)c1ccc(F)cc1)C2 ZINC000475170329 1026290831 /nfs/dbraw/zinc/29/08/31/1026290831.db2.gz CHCNNGVJFTWGLC-UKRRQHHQSA-N 1 2 343.446 3.697 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)c1ccc(F)cc1)CC2 ZINC000475170329 1026290842 /nfs/dbraw/zinc/29/08/42/1026290842.db2.gz CHCNNGVJFTWGLC-UKRRQHHQSA-N 1 2 343.446 3.697 20 0 EHADLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000051688931 1026294629 /nfs/dbraw/zinc/29/46/29/1026294629.db2.gz DSOFHTYGBCQPHT-FQEVSTJZSA-N 1 2 340.398 3.540 20 0 EHADLO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000051688931 1026294635 /nfs/dbraw/zinc/29/46/35/1026294635.db2.gz DSOFHTYGBCQPHT-FQEVSTJZSA-N 1 2 340.398 3.540 20 0 EHADLO COc1cccc(-c2nnc(C[N@@H+]3C[C@@H](C)[C@@H]3c3ccccc3)o2)c1 ZINC001167575683 1026304095 /nfs/dbraw/zinc/30/40/95/1026304095.db2.gz GSNJWWNLNSYUAW-AUUYWEPGSA-N 1 2 335.407 3.938 20 0 EHADLO COc1cccc(-c2nnc(C[N@H+]3C[C@@H](C)[C@@H]3c3ccccc3)o2)c1 ZINC001167575683 1026304102 /nfs/dbraw/zinc/30/41/02/1026304102.db2.gz GSNJWWNLNSYUAW-AUUYWEPGSA-N 1 2 335.407 3.938 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830139 1026314079 /nfs/dbraw/zinc/31/40/79/1026314079.db2.gz CSTXLPHCPHPOAR-LPHOPBHVSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830139 1026314097 /nfs/dbraw/zinc/31/40/97/1026314097.db2.gz CSTXLPHCPHPOAR-LPHOPBHVSA-N 1 2 338.451 3.820 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000192751923 1026337452 /nfs/dbraw/zinc/33/74/52/1026337452.db2.gz GTVAQDIRKATTSM-CQSZACIVSA-N 1 2 325.412 3.626 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847905 1026341533 /nfs/dbraw/zinc/34/15/33/1026341533.db2.gz YYFCFIWGFJCVHB-KYHPRHEASA-N 1 2 330.472 3.985 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847905 1026341543 /nfs/dbraw/zinc/34/15/43/1026341543.db2.gz YYFCFIWGFJCVHB-KYHPRHEASA-N 1 2 330.472 3.985 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)n1C ZINC000451961011 1026396947 /nfs/dbraw/zinc/39/69/47/1026396947.db2.gz QVQPJYTYQGYJMG-UHFFFAOYSA-N 1 2 348.441 3.671 20 0 EHADLO O=C(/C=C/SCc1ccco1)NCc1ccccc1-n1cc[nH+]c1 ZINC000152588881 1026402241 /nfs/dbraw/zinc/40/22/41/1026402241.db2.gz OIOBXSAJZNQBFE-YRNVUSSQSA-N 1 2 339.420 3.529 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(C(F)(F)F)s2)no1)n1cc[nH+]c1 ZINC000897161839 1026423548 /nfs/dbraw/zinc/42/35/48/1026423548.db2.gz PILGZZIOYJUJGP-MRVPVSSYSA-N 1 2 328.319 3.817 20 0 EHADLO C[C@H]1CC[C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000475293706 1026435963 /nfs/dbraw/zinc/43/59/63/1026435963.db2.gz AYSSKTGENLMPSA-WMZOPIPTSA-N 1 2 332.492 3.521 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311983 1026468059 /nfs/dbraw/zinc/46/80/59/1026468059.db2.gz AIQHTPWJWJURAZ-ZWKOTPCHSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311983 1026468063 /nfs/dbraw/zinc/46/80/63/1026468063.db2.gz AIQHTPWJWJURAZ-ZWKOTPCHSA-N 1 2 341.854 3.794 20 0 EHADLO O=C(CCCc1cc(Cl)sc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000531025313 1026497320 /nfs/dbraw/zinc/49/73/20/1026497320.db2.gz YZCVOAHKZJARLH-UHFFFAOYSA-N 1 2 344.267 3.658 20 0 EHADLO CCCCN(CC)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159194000 1026529771 /nfs/dbraw/zinc/52/97/71/1026529771.db2.gz SGHUJRSPYOAMSV-UHFFFAOYSA-N 1 2 330.432 3.616 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccoc1 ZINC000342642668 1026551335 /nfs/dbraw/zinc/55/13/35/1026551335.db2.gz RJQXVIWBPHNPDG-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccoc1 ZINC000342642668 1026551343 /nfs/dbraw/zinc/55/13/43/1026551343.db2.gz RJQXVIWBPHNPDG-NSHDSACASA-N 1 2 337.217 3.501 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800761 1026554036 /nfs/dbraw/zinc/55/40/36/1026554036.db2.gz RTPOARMITRMDKJ-MSOLQXFVSA-N 1 2 327.449 3.691 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800761 1026554047 /nfs/dbraw/zinc/55/40/47/1026554047.db2.gz RTPOARMITRMDKJ-MSOLQXFVSA-N 1 2 327.449 3.691 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 ZINC000023788553 1026571973 /nfs/dbraw/zinc/57/19/73/1026571973.db2.gz RSOLPKMRHMNCRE-UHFFFAOYSA-N 1 2 340.492 3.503 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000475411310 1026576400 /nfs/dbraw/zinc/57/64/00/1026576400.db2.gz HAHSUDAUZSUJKR-MAUKXSAKSA-N 1 2 330.472 3.845 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CCc3ccccc32)c1C ZINC000051755191 1026585314 /nfs/dbraw/zinc/58/53/14/1026585314.db2.gz MAAMNIUCCGRKGL-SFHVURJKSA-N 1 2 339.439 3.536 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665626284 1026610463 /nfs/dbraw/zinc/61/04/63/1026610463.db2.gz UUSYXIDWPKDQEJ-ULQDDVLXSA-N 1 2 347.503 3.854 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c[nH+]1 ZINC000897270957 1026630133 /nfs/dbraw/zinc/63/01/33/1026630133.db2.gz PVBDQLOQURCQKM-UHFFFAOYSA-N 1 2 349.837 3.567 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167965234 1026637332 /nfs/dbraw/zinc/63/73/32/1026637332.db2.gz YKCCVQQMBDGKEK-GOEBONIOSA-N 1 2 328.460 3.904 20 0 EHADLO CCNC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000340714179 1026642211 /nfs/dbraw/zinc/64/22/11/1026642211.db2.gz RFRXQGAUSCIHSV-UHFFFAOYSA-N 1 2 340.452 3.604 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cccc2c1CCOC2)c1nc(C2CC2)no1 ZINC000639568981 1026656872 /nfs/dbraw/zinc/65/68/72/1026656872.db2.gz FEDLOVDFZKANLJ-KRWDZBQOSA-N 1 2 327.428 3.507 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000452331122 1026662725 /nfs/dbraw/zinc/66/27/25/1026662725.db2.gz CFMKSAFCVUKTOU-XJFOESAGSA-N 1 2 325.412 3.678 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000452332615 1026664042 /nfs/dbraw/zinc/66/40/42/1026664042.db2.gz HSMWXQUJCVLEOP-OLZOCXBDSA-N 1 2 347.365 3.563 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccoc1Br ZINC000193498745 1026699089 /nfs/dbraw/zinc/69/90/89/1026699089.db2.gz MUTYXJWQAAWQRS-UHFFFAOYSA-N 1 2 332.157 3.685 20 0 EHADLO CC(C)[C@@H]1C[C@H](Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CS1 ZINC000475440965 1026706338 /nfs/dbraw/zinc/70/63/38/1026706338.db2.gz OLAQINOHNFKQHC-JHNDHUHGSA-N 1 2 335.517 3.637 20 0 EHADLO Cn1ncc(Nc2ccc([NH2+]C3CCCCC3)cc2)c(Cl)c1=O ZINC000301164612 1026707816 /nfs/dbraw/zinc/70/78/16/1026707816.db2.gz CIZKVJRQLBVUMW-UHFFFAOYSA-N 1 2 332.835 3.922 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452416194 1026734770 /nfs/dbraw/zinc/73/47/70/1026734770.db2.gz HZWKWJIFOPNVAR-MJGOQNOKSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000531252032 1026735699 /nfs/dbraw/zinc/73/56/99/1026735699.db2.gz SWYVTSDPFCPLTC-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3ccccc3S(C)(=O)=O)oc21 ZINC000657493092 1026747888 /nfs/dbraw/zinc/74/78/88/1026747888.db2.gz XAMWJJWHNMXZNI-UHFFFAOYSA-N 1 2 343.448 3.689 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000301415934 1026798794 /nfs/dbraw/zinc/79/87/94/1026798794.db2.gz LXTXLUFYKPCSJQ-SJORKVTESA-N 1 2 349.438 3.575 20 0 EHADLO FC(F)(F)c1cc[nH+]c(NCCc2ccc(-n3cccn3)cc2)c1 ZINC000301440593 1026807718 /nfs/dbraw/zinc/80/77/18/1026807718.db2.gz MMFIVJLZPBNOGG-UHFFFAOYSA-N 1 2 332.329 3.941 20 0 EHADLO FC(F)(F)c1cnc(N2CC[C@@H](Nc3cccc[nH+]3)C2)c(Cl)c1 ZINC000301612903 1026875227 /nfs/dbraw/zinc/87/52/27/1026875227.db2.gz GMMHPFJDCQBVGV-LLVKDONJSA-N 1 2 342.752 3.840 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000152937050 1026879407 /nfs/dbraw/zinc/87/94/07/1026879407.db2.gz IVDOKTVWMMQWPV-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO Cc1cc[nH+]c(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000301635412 1026883749 /nfs/dbraw/zinc/88/37/49/1026883749.db2.gz KPKNUOLZTMCIKP-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO C[C@H]1CCN(c2nc(C(F)F)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000301647247 1026886892 /nfs/dbraw/zinc/88/68/92/1026886892.db2.gz QAYRTKQCXUMHRL-SWLSCSKDSA-N 1 2 343.381 3.851 20 0 EHADLO Cc1cc(NCCCC(=O)N2Cc3ccccc3C2)nc(C(C)C)[nH+]1 ZINC000301690556 1026902497 /nfs/dbraw/zinc/90/24/97/1026902497.db2.gz YHQQSTUEALDZST-UHFFFAOYSA-N 1 2 338.455 3.643 20 0 EHADLO CC1(C)Cc2cccc(CNc3cc(CSCCO)cc[nH+]3)c2O1 ZINC000305688853 1026909579 /nfs/dbraw/zinc/90/95/79/1026909579.db2.gz AWYWMEKCWWGDIT-UHFFFAOYSA-N 1 2 344.480 3.633 20 0 EHADLO Cc1nc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c(C)c(C)[nH+]1 ZINC000301714754 1026912492 /nfs/dbraw/zinc/91/24/92/1026912492.db2.gz ZPLNDUNXRPMXBX-CQSZACIVSA-N 1 2 346.425 3.563 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3cccc(C(C)C)c3)ccc2n1C ZINC000531437991 1026918653 /nfs/dbraw/zinc/91/86/53/1026918653.db2.gz DGAAGTLLLOSTGZ-UHFFFAOYSA-N 1 2 343.452 3.806 20 0 EHADLO C[C@H](O)[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301800096 1026943028 /nfs/dbraw/zinc/94/30/28/1026943028.db2.gz VTKXVDOABMHYQG-NWDGAFQWSA-N 1 2 335.245 3.595 20 0 EHADLO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000657525227 1026963679 /nfs/dbraw/zinc/96/36/79/1026963679.db2.gz PPRCRPDOPBBYIA-MRXNPFEDSA-N 1 2 345.512 3.685 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Cc1cccs1 ZINC000301870763 1026973027 /nfs/dbraw/zinc/97/30/27/1026973027.db2.gz HEUAXLOKWDIAFQ-LBPRGKRZSA-N 1 2 329.473 3.934 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(F)c1 ZINC000048776384 1026973971 /nfs/dbraw/zinc/97/39/71/1026973971.db2.gz ATYHYNFZYFDJNQ-UHFFFAOYSA-N 1 2 339.389 3.929 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153058865 1026983077 /nfs/dbraw/zinc/98/30/77/1026983077.db2.gz SLEXYFUVASYICL-RBUKOAKNSA-N 1 2 339.483 3.624 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(Cc2cccc(Cl)c2)CC1 ZINC000452758808 1026985486 /nfs/dbraw/zinc/98/54/86/1026985486.db2.gz SCHOLEDMJDXQOB-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025666294 1026988614 /nfs/dbraw/zinc/98/86/14/1026988614.db2.gz WYLZRRWZVCYZHN-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO O=C(COc1cc[nH+]cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000431474522 1026991834 /nfs/dbraw/zinc/99/18/34/1026991834.db2.gz VDBDKKHDUCWBLY-UHFFFAOYSA-N 1 2 346.430 3.732 20 0 EHADLO COc1cccc2c1CC[C@@H]2Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301914351 1026992242 /nfs/dbraw/zinc/99/22/42/1026992242.db2.gz IDVMCMAVGIWGNT-HNNXBMFYSA-N 1 2 337.427 3.689 20 0 EHADLO Clc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(C2CC2)n1 ZINC000302008812 1027022445 /nfs/dbraw/zinc/02/24/45/1027022445.db2.gz VLICFSDEUADPPN-UHFFFAOYSA-N 1 2 325.803 3.805 20 0 EHADLO Clc1cc2ncc(N3CCC(n4cc[nH+]c4)CC3)nc2cc1Cl ZINC000302056147 1027037336 /nfs/dbraw/zinc/03/73/36/1027037336.db2.gz AGBCBKBUNFWSKU-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO Cc1nc(N2CCC[C@@H]2CC(=O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302113876 1027058226 /nfs/dbraw/zinc/05/82/26/1027058226.db2.gz VJILPJZYNAWBMW-QGZVFWFLSA-N 1 2 335.451 3.906 20 0 EHADLO CC(C)(O)[C@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000302132240 1027065032 /nfs/dbraw/zinc/06/50/32/1027065032.db2.gz KULWEXUQZYMLEB-CQSZACIVSA-N 1 2 335.245 3.737 20 0 EHADLO Cc1csc(NC2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000302229228 1027097354 /nfs/dbraw/zinc/09/73/54/1027097354.db2.gz AZMPLSYECYISHM-UHFFFAOYSA-N 1 2 331.489 3.754 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000501192018 1027124021 /nfs/dbraw/zinc/12/40/21/1027124021.db2.gz NIBUBIPVJGCXKM-ZWKOTPCHSA-N 1 2 343.515 3.589 20 0 EHADLO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(F)F ZINC000419713591 1027147345 /nfs/dbraw/zinc/14/73/45/1027147345.db2.gz WFSWCQHRNNAHHH-SSDOTTSWSA-N 1 2 344.711 3.931 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553978 1027169438 /nfs/dbraw/zinc/16/94/38/1027169438.db2.gz CWFYCRPANJZLNF-LLVKDONJSA-N 1 2 329.787 3.829 20 0 EHADLO C[NH+](C)[C@@H](CNc1nc(C(C)(C)C)ns1)c1c(F)cccc1F ZINC000302497887 1027170105 /nfs/dbraw/zinc/17/01/05/1027170105.db2.gz KPVNUKOQBHFJBS-LBPRGKRZSA-N 1 2 340.443 3.829 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556520 1027171703 /nfs/dbraw/zinc/17/17/03/1027171703.db2.gz BKAPWLNELDKOEU-UONOGXRCSA-N 1 2 347.846 3.545 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075712254 1027196492 /nfs/dbraw/zinc/19/64/92/1027196492.db2.gz YICPJLQSFAAZHX-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075712254 1027196500 /nfs/dbraw/zinc/19/65/00/1027196500.db2.gz YICPJLQSFAAZHX-LBPRGKRZSA-N 1 2 341.333 3.520 20 0 EHADLO Cc1nc(NCc2ccccc2-n2cc[nH+]c2)ccc1Br ZINC000302671790 1027232627 /nfs/dbraw/zinc/23/26/27/1027232627.db2.gz OCLKKULFKNPCKR-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000428349373 1027236763 /nfs/dbraw/zinc/23/67/63/1027236763.db2.gz LNZCJMAKSWEZQH-UHFFFAOYSA-N 1 2 335.492 3.575 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000428349373 1027236777 /nfs/dbraw/zinc/23/67/77/1027236777.db2.gz LNZCJMAKSWEZQH-UHFFFAOYSA-N 1 2 335.492 3.575 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076078135 1027238090 /nfs/dbraw/zinc/23/80/90/1027238090.db2.gz DWFFZVDAAJTESU-INIZCTEOSA-N 1 2 340.471 3.796 20 0 EHADLO CC1(C)CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000302711396 1027252020 /nfs/dbraw/zinc/25/20/20/1027252020.db2.gz KUBXZIYYPTVRHR-CYBMUJFWSA-N 1 2 342.409 3.882 20 0 EHADLO CC1(C)CN(c2cc(N3CCCCC3)nc[nH+]2)CC[C@H]1C(F)(F)F ZINC000302711396 1027252037 /nfs/dbraw/zinc/25/20/37/1027252037.db2.gz KUBXZIYYPTVRHR-CYBMUJFWSA-N 1 2 342.409 3.882 20 0 EHADLO FC(F)(F)Oc1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000302717131 1027253489 /nfs/dbraw/zinc/25/34/89/1027253489.db2.gz YOXGGFDVSSVDGG-UHFFFAOYSA-N 1 2 334.301 3.778 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@H](CCC)c2nnc3ccccn32)o1 ZINC000428348901 1027253706 /nfs/dbraw/zinc/25/37/06/1027253706.db2.gz QEJGQBGQFJGPAN-CQSZACIVSA-N 1 2 327.432 3.609 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)c1nccs1 ZINC000273074764 1027258276 /nfs/dbraw/zinc/25/82/76/1027258276.db2.gz JYYRNXBGBLIBLM-SMDDNHRTSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273074764 1027258290 /nfs/dbraw/zinc/25/82/90/1027258290.db2.gz JYYRNXBGBLIBLM-SMDDNHRTSA-N 1 2 338.860 3.746 20 0 EHADLO C[N@H+](Cc1ccc(Br)s1)Cc1cnc(C2CC2)nc1 ZINC000459283264 1027266357 /nfs/dbraw/zinc/26/63/57/1027266357.db2.gz FAEJSUJHNIBSKN-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO C[N@@H+](Cc1ccc(Br)s1)Cc1cnc(C2CC2)nc1 ZINC000459283264 1027266363 /nfs/dbraw/zinc/26/63/63/1027266363.db2.gz FAEJSUJHNIBSKN-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)cn1 ZINC000342809561 1027273212 /nfs/dbraw/zinc/27/32/12/1027273212.db2.gz LEVFUIPPZZOVOS-CQSZACIVSA-N 1 2 326.831 3.831 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000531725078 1027274383 /nfs/dbraw/zinc/27/43/83/1027274383.db2.gz KTSWGIQGZYTPRZ-UHFFFAOYSA-N 1 2 349.261 3.911 20 0 EHADLO CNC(=O)c1ccc(C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000531725078 1027274404 /nfs/dbraw/zinc/27/44/04/1027274404.db2.gz KTSWGIQGZYTPRZ-UHFFFAOYSA-N 1 2 349.261 3.911 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1c(F)cccc1F ZINC000127119910 1027276874 /nfs/dbraw/zinc/27/68/74/1027276874.db2.gz KAVINIOLYTUYJP-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1c(F)cccc1F ZINC000127119910 1027276892 /nfs/dbraw/zinc/27/68/92/1027276892.db2.gz KAVINIOLYTUYJP-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC000273138891 1027283176 /nfs/dbraw/zinc/28/31/76/1027283176.db2.gz JUAYJGOTEWDEQR-VIFPVBQESA-N 1 2 331.363 3.850 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2cncc(Cl)n2)c1 ZINC000302854538 1027329085 /nfs/dbraw/zinc/32/90/85/1027329085.db2.gz KLCXURJWJUONQQ-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2cncc(Cl)n2)c1 ZINC000302854538 1027329106 /nfs/dbraw/zinc/32/91/06/1027329106.db2.gz KLCXURJWJUONQQ-UHFFFAOYSA-N 1 2 345.859 3.962 20 0 EHADLO CCCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000127644320 1027335309 /nfs/dbraw/zinc/33/53/09/1027335309.db2.gz VXOGDNGNIBCLIZ-MAUKXSAKSA-N 1 2 326.444 3.951 20 0 EHADLO Cc1cc(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)n(C)n1 ZINC000342811512 1027351218 /nfs/dbraw/zinc/35/12/18/1027351218.db2.gz UXYCPTJDGAOJEW-FQEVSTJZSA-N 1 2 332.407 3.749 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000302904759 1027355942 /nfs/dbraw/zinc/35/59/42/1027355942.db2.gz SDSXHKKPEMCXAF-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000302904759 1027355958 /nfs/dbraw/zinc/35/59/58/1027355958.db2.gz SDSXHKKPEMCXAF-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO C[C@@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)[C@@H](c2ccco2)C1 ZINC000302917701 1027361518 /nfs/dbraw/zinc/36/15/18/1027361518.db2.gz XFZUJTMQHUQKKI-HUUCEWRRSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)[C@@H](c2ccco2)C1 ZINC000302917701 1027361538 /nfs/dbraw/zinc/36/15/38/1027361538.db2.gz XFZUJTMQHUQKKI-HUUCEWRRSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)[C@H](c2ccco2)C1 ZINC000302917699 1027361574 /nfs/dbraw/zinc/36/15/74/1027361574.db2.gz XFZUJTMQHUQKKI-CABCVRRESA-N 1 2 344.484 3.600 20 0 EHADLO C[C@@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)[C@H](c2ccco2)C1 ZINC000302917699 1027361590 /nfs/dbraw/zinc/36/15/90/1027361590.db2.gz XFZUJTMQHUQKKI-CABCVRRESA-N 1 2 344.484 3.600 20 0 EHADLO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c(C)c1 ZINC000414443734 1027370466 /nfs/dbraw/zinc/37/04/66/1027370466.db2.gz JFSZZLZKDUFWRY-OAHLLOKOSA-N 1 2 349.521 3.758 20 0 EHADLO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c(C)c1 ZINC000414443734 1027370481 /nfs/dbraw/zinc/37/04/81/1027370481.db2.gz JFSZZLZKDUFWRY-OAHLLOKOSA-N 1 2 349.521 3.758 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(O)c1Br ZINC000459297224 1027378239 /nfs/dbraw/zinc/37/82/39/1027378239.db2.gz FZWVGFJAQBMHEO-CQSZACIVSA-N 1 2 335.245 3.830 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(O)c1Br ZINC000459297224 1027378252 /nfs/dbraw/zinc/37/82/52/1027378252.db2.gz FZWVGFJAQBMHEO-CQSZACIVSA-N 1 2 335.245 3.830 20 0 EHADLO Cc1csc(C[C@H]2CC[N@@H+](Cc3c(Cl)nc(Cl)n3C)C2)n1 ZINC000897298675 1027401067 /nfs/dbraw/zinc/40/10/67/1027401067.db2.gz GOIQYBNSIIXQNO-SNVBAGLBSA-N 1 2 345.299 3.556 20 0 EHADLO Cc1csc(C[C@H]2CC[N@H+](Cc3c(Cl)nc(Cl)n3C)C2)n1 ZINC000897298675 1027401076 /nfs/dbraw/zinc/40/10/76/1027401076.db2.gz GOIQYBNSIIXQNO-SNVBAGLBSA-N 1 2 345.299 3.556 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C=CCCC3)n2)C1 ZINC000531810221 1027451929 /nfs/dbraw/zinc/45/19/29/1027451929.db2.gz STPZVWRMMHMPLH-KGLIPLIRSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C=CCCC3)n2)C1 ZINC000531810221 1027451939 /nfs/dbraw/zinc/45/19/39/1027451939.db2.gz STPZVWRMMHMPLH-KGLIPLIRSA-N 1 2 334.489 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C\Cc2ccccc2)c1C ZINC001625946357 1027501356 /nfs/dbraw/zinc/50/13/56/1027501356.db2.gz BCGSMEVHQYJUDG-HJWRWDBZSA-N 1 2 338.451 3.854 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077977648 1027507009 /nfs/dbraw/zinc/50/70/09/1027507009.db2.gz UADIWZCBZQLKEY-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077977648 1027507019 /nfs/dbraw/zinc/50/70/19/1027507019.db2.gz UADIWZCBZQLKEY-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(C)c[nH+]1 ZINC000536575595 1027510909 /nfs/dbraw/zinc/51/09/09/1027510909.db2.gz WWLWTOPAFHDVRJ-UHFFFAOYSA-N 1 2 348.450 3.856 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119118378 1027593545 /nfs/dbraw/zinc/59/35/45/1027593545.db2.gz OOARVGXXBHVFNH-ZDUSSCGKSA-N 1 2 338.879 3.947 20 0 EHADLO CC[N@H+](Cc1nc(Cc2csc(-c3ccccc3)n2)no1)C1CC1 ZINC000273747456 1027597548 /nfs/dbraw/zinc/59/75/48/1027597548.db2.gz PKVOMZLYKYBHCH-UHFFFAOYSA-N 1 2 340.452 3.768 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2csc(-c3ccccc3)n2)no1)C1CC1 ZINC000273747456 1027597559 /nfs/dbraw/zinc/59/75/59/1027597559.db2.gz PKVOMZLYKYBHCH-UHFFFAOYSA-N 1 2 340.452 3.768 20 0 EHADLO CC[NH+](CC)Cc1nc(COc2cccc(Cl)c2Cl)no1 ZINC000420522352 1027600422 /nfs/dbraw/zinc/60/04/22/1027600422.db2.gz JUSMSGKHKDPJFZ-UHFFFAOYSA-N 1 2 330.215 3.797 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1cccc(OC)c1 ZINC000657613440 1027630107 /nfs/dbraw/zinc/63/01/07/1027630107.db2.gz VJHSIAJHNSKXLT-HNNXBMFYSA-N 1 2 334.485 3.927 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H](c1ccccc1)C1CC1 ZINC000130090372 1027632721 /nfs/dbraw/zinc/63/27/21/1027632721.db2.gz CHXANWOHKOJGEG-FQEVSTJZSA-N 1 2 331.419 3.682 20 0 EHADLO CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H](C)c1cccc(OC)c1 ZINC000422217982 1027656389 /nfs/dbraw/zinc/65/63/89/1027656389.db2.gz XHXOUKOYASUMCW-MRXNPFEDSA-N 1 2 341.455 4.000 20 0 EHADLO Cc1c[nH+]c(CN(C)Cc2cc(Br)ccc2Cl)n1C ZINC000342853608 1027659704 /nfs/dbraw/zinc/65/97/04/1027659704.db2.gz OQHDAGNHYWKSTG-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO C[NH2+]Cc1noc([C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000414645355 1027670018 /nfs/dbraw/zinc/67/00/18/1027670018.db2.gz QQWKZUVSRHCHPK-SMDDNHRTSA-N 1 2 342.226 3.731 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000304344555 1027738996 /nfs/dbraw/zinc/73/89/96/1027738996.db2.gz XQWCCAOXEICTAK-BLLLJJGKSA-N 1 2 338.448 3.545 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000304344555 1027739013 /nfs/dbraw/zinc/73/90/13/1027739013.db2.gz XQWCCAOXEICTAK-BLLLJJGKSA-N 1 2 338.448 3.545 20 0 EHADLO CCCOc1cc(C)ccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420806422 1027745317 /nfs/dbraw/zinc/74/53/17/1027745317.db2.gz JRPQOPSUHGKKTJ-UHFFFAOYSA-N 1 2 341.455 3.795 20 0 EHADLO Oc1ccc(Br)nc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085614 1027755328 /nfs/dbraw/zinc/75/53/28/1027755328.db2.gz OBUKIEFBOOFHQC-UHFFFAOYSA-N 1 2 331.173 3.683 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(C)=C(c3ccco3)C2)cc(C)[nH+]1 ZINC000420841159 1027782788 /nfs/dbraw/zinc/78/27/88/1027782788.db2.gz BUUIIUCTXTVYBP-UHFFFAOYSA-N 1 2 325.412 3.680 20 0 EHADLO Cc1ccc(C[C@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420845906 1027790230 /nfs/dbraw/zinc/79/02/30/1027790230.db2.gz IQGDUHBUEXEYIM-HXUWFJFHSA-N 1 2 337.467 3.924 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000305078845 1027794750 /nfs/dbraw/zinc/79/47/50/1027794750.db2.gz LVJMNLUBKBGXNX-NVGVWMPQSA-N 1 2 339.407 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000305078845 1027794766 /nfs/dbraw/zinc/79/47/66/1027794766.db2.gz LVJMNLUBKBGXNX-NVGVWMPQSA-N 1 2 339.407 3.522 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000420856954 1027802861 /nfs/dbraw/zinc/80/28/61/1027802861.db2.gz YUNPMIWGBUWIEA-LJQANCHMSA-N 1 2 341.430 3.754 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420856606 1027804272 /nfs/dbraw/zinc/80/42/72/1027804272.db2.gz YOPYQBLPFMNFHH-KRWDZBQOSA-N 1 2 341.430 3.612 20 0 EHADLO COc1ccc(C[N@H+](Cc2nn(C)cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000420902379 1027843670 /nfs/dbraw/zinc/84/36/70/1027843670.db2.gz MRTHYTHZJMWISH-ZDUSSCGKSA-N 1 2 333.863 3.883 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nn(C)cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000420902379 1027843678 /nfs/dbraw/zinc/84/36/78/1027843678.db2.gz MRTHYTHZJMWISH-ZDUSSCGKSA-N 1 2 333.863 3.883 20 0 EHADLO CCC1(CC)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000454248964 1027847575 /nfs/dbraw/zinc/84/75/75/1027847575.db2.gz GOTKMWJKXCHYDE-UHFFFAOYSA-N 1 2 336.505 3.783 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccccc2OC2CCC2)cc(C)[nH+]1 ZINC000420908063 1027854158 /nfs/dbraw/zinc/85/41/58/1027854158.db2.gz DNECNIOYAYOKRL-UHFFFAOYSA-N 1 2 339.439 3.629 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922341 1027867647 /nfs/dbraw/zinc/86/76/47/1027867647.db2.gz FJJQUPYVCLDFEL-ZFWWWQNUSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922341 1027867664 /nfs/dbraw/zinc/86/76/64/1027867664.db2.gz FJJQUPYVCLDFEL-ZFWWWQNUSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000420925349 1027871142 /nfs/dbraw/zinc/87/11/42/1027871142.db2.gz LJOYQXWXVPMGRP-JSGCOSHPSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1csc(C2CC2)n1 ZINC000420925349 1027871154 /nfs/dbraw/zinc/87/11/54/1027871154.db2.gz LJOYQXWXVPMGRP-JSGCOSHPSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000359928812 1027880039 /nfs/dbraw/zinc/88/00/39/1027880039.db2.gz ZYCATDOPUUKSGW-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000359928812 1027880057 /nfs/dbraw/zinc/88/00/57/1027880057.db2.gz ZYCATDOPUUKSGW-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO CC[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000342884805 1027882389 /nfs/dbraw/zinc/88/23/89/1027882389.db2.gz QUCXAXBZKTZXCW-HXUWFJFHSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OCC2CC2)c(F)c1 ZINC000420931686 1027908788 /nfs/dbraw/zinc/90/87/88/1027908788.db2.gz GSDQPXOPSLQDFD-LLVKDONJSA-N 1 2 337.826 3.852 20 0 EHADLO O=C(Nc1cccc(Nc2ccccc2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132381147 1027917055 /nfs/dbraw/zinc/91/70/55/1027917055.db2.gz LLLFGZIHPITLTA-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO CC[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)nn2)C[C@@H](CC)O1 ZINC000420964704 1027935732 /nfs/dbraw/zinc/93/57/32/1027935732.db2.gz XGCVUVZVEFOHAY-IAGOWNOFSA-N 1 2 327.428 3.658 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccnc(-c2ccccc2)c1 ZINC000536620956 1027971255 /nfs/dbraw/zinc/97/12/55/1027971255.db2.gz ZDWLLVXCNXNIPC-UHFFFAOYSA-N 1 2 335.411 3.547 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120295435 1027983602 /nfs/dbraw/zinc/98/36/02/1027983602.db2.gz FBVVUUUQLCCYTJ-UHFFFAOYSA-N 1 2 342.830 3.506 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000133033453 1027991696 /nfs/dbraw/zinc/99/16/96/1027991696.db2.gz PWXKMZQVOJQGRA-NVXWUHKLSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(Cl)ccc2N(C)C)cc(C)[nH+]1 ZINC000421058059 1028018327 /nfs/dbraw/zinc/01/83/27/1028018327.db2.gz LYZWFUKHNLHNSI-UHFFFAOYSA-N 1 2 332.835 3.740 20 0 EHADLO CCc1c(NC(=O)NCc2cc(C)[nH+]c(C)c2)cnn1CCC(C)C ZINC000421107087 1028112796 /nfs/dbraw/zinc/11/27/96/1028112796.db2.gz KZMFAOGYCIQUFJ-UHFFFAOYSA-N 1 2 343.475 3.825 20 0 EHADLO CCCc1cc(Nc2ccc(NC3CCCC3)[nH+]c2)n2ncnc2n1 ZINC000523297748 1028120615 /nfs/dbraw/zinc/12/06/15/1028120615.db2.gz LWEDTXQZEROXDJ-UHFFFAOYSA-N 1 2 337.431 3.570 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000120812764 1028158003 /nfs/dbraw/zinc/15/80/03/1028158003.db2.gz NFFSWZDHOCGXCF-CJNGLKHVSA-N 1 2 332.835 3.960 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1cccc(COCC2CC2)c1)c1c(F)cccc1F ZINC000423081749 1028169249 /nfs/dbraw/zinc/16/92/49/1028169249.db2.gz CCCNAPWXASRQQX-GOSISDBHSA-N 1 2 346.377 3.530 20 0 EHADLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444694390 1028169596 /nfs/dbraw/zinc/16/95/96/1028169596.db2.gz QGBFNBBOUQIPHQ-LJQANCHMSA-N 1 2 344.405 3.590 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cc(F)cc(F)c1 ZINC000444694390 1028169602 /nfs/dbraw/zinc/16/96/02/1028169602.db2.gz QGBFNBBOUQIPHQ-LJQANCHMSA-N 1 2 344.405 3.590 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000503861490 1028173999 /nfs/dbraw/zinc/17/39/99/1028173999.db2.gz VTDZDFDEQHGJMP-NVXWUHKLSA-N 1 2 345.512 3.961 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135211912 1028178204 /nfs/dbraw/zinc/17/82/04/1028178204.db2.gz MIUCWJMDJIGVIA-LLVKDONJSA-N 1 2 345.349 3.913 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135211912 1028178221 /nfs/dbraw/zinc/17/82/21/1028178221.db2.gz MIUCWJMDJIGVIA-LLVKDONJSA-N 1 2 345.349 3.913 20 0 EHADLO C[NH2+]Cc1noc([C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000414506518 1028198301 /nfs/dbraw/zinc/19/83/01/1028198301.db2.gz WUIIQZNYYWDHJN-ZWKOTPCHSA-N 1 2 335.407 3.639 20 0 EHADLO COCc1nc2cc(NC(=O)Nc3c(C)cc(C)[nH+]c3C)ccc2o1 ZINC000455469691 1028200364 /nfs/dbraw/zinc/20/03/64/1028200364.db2.gz ADSYTXYUGLDVKD-UHFFFAOYSA-N 1 2 340.383 3.938 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000135632328 1028209744 /nfs/dbraw/zinc/20/97/44/1028209744.db2.gz VCLQWVCNEXSWIX-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000135632328 1028209757 /nfs/dbraw/zinc/20/97/57/1028209757.db2.gz VCLQWVCNEXSWIX-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000640217268 1028212690 /nfs/dbraw/zinc/21/26/90/1028212690.db2.gz KRDXJYXTADLLPJ-SMDDNHRTSA-N 1 2 343.818 3.772 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726014 1028218356 /nfs/dbraw/zinc/21/83/56/1028218356.db2.gz IAJRJLFQTDOGTD-OCCSQVGLSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726014 1028218372 /nfs/dbraw/zinc/21/83/72/1028218372.db2.gz IAJRJLFQTDOGTD-OCCSQVGLSA-N 1 2 348.434 3.936 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423158988 1028231581 /nfs/dbraw/zinc/23/15/81/1028231581.db2.gz OLVLFTHFRMTLPD-XHDPSFHLSA-N 1 2 335.498 3.521 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C)ccc2F)cc1 ZINC000444746888 1028232437 /nfs/dbraw/zinc/23/24/37/1028232437.db2.gz WYXNOOPYXLUWPC-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)ccc2F)cc1 ZINC000444746888 1028232446 /nfs/dbraw/zinc/23/24/46/1028232446.db2.gz WYXNOOPYXLUWPC-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)ccc1F ZINC000444747624 1028235298 /nfs/dbraw/zinc/23/52/98/1028235298.db2.gz ZVMGPJWDAMAYRD-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)ccc1F ZINC000444747624 1028235309 /nfs/dbraw/zinc/23/53/09/1028235309.db2.gz ZVMGPJWDAMAYRD-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO CCCCCC[C@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136244421 1028240525 /nfs/dbraw/zinc/24/05/25/1028240525.db2.gz TZCHJFPUYGGHTC-IRXDYDNUSA-N 1 2 334.508 3.743 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000431505374 1028243436 /nfs/dbraw/zinc/24/34/36/1028243436.db2.gz IVCHIXJDMDKTTI-KOMQPUFPSA-N 1 2 344.459 3.527 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000431505374 1028243449 /nfs/dbraw/zinc/24/34/49/1028243449.db2.gz IVCHIXJDMDKTTI-KOMQPUFPSA-N 1 2 344.459 3.527 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2COc3c2ccc(C)c3C)c(C)[nH+]1 ZINC000455483753 1028248895 /nfs/dbraw/zinc/24/88/95/1028248895.db2.gz QGCQWRNSLZTPGY-INIZCTEOSA-N 1 2 325.412 3.879 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055055014 1028257255 /nfs/dbraw/zinc/25/72/55/1028257255.db2.gz RYCBTTWCLWSVSZ-SFHVURJKSA-N 1 2 344.455 3.686 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055055014 1028257284 /nfs/dbraw/zinc/25/72/84/1028257284.db2.gz RYCBTTWCLWSVSZ-SFHVURJKSA-N 1 2 344.455 3.686 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523388041 1028261936 /nfs/dbraw/zinc/26/19/36/1028261936.db2.gz TXMNXZWNFSRWPF-IBGZPJMESA-N 1 2 349.438 3.560 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccnc3-c3ccccc3)[nH+]c12 ZINC000533656810 1028274974 /nfs/dbraw/zinc/27/49/74/1028274974.db2.gz PYXIDRAWODUBBG-UHFFFAOYSA-N 1 2 342.402 3.886 20 0 EHADLO COc1ccccc1O[C@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455501355 1028275217 /nfs/dbraw/zinc/27/52/17/1028275217.db2.gz ULTGCLIOLZDURH-CQSZACIVSA-N 1 2 343.427 3.604 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1nccn1C1CC1 ZINC000894257730 1028279787 /nfs/dbraw/zinc/27/97/87/1028279787.db2.gz BMDSXVOSATXWBF-CQSZACIVSA-N 1 2 348.244 3.594 20 0 EHADLO Cc1cc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)ccc1OC(C)C ZINC000423227830 1028293548 /nfs/dbraw/zinc/29/35/48/1028293548.db2.gz XFQZBPIPNOTOAI-QGZVFWFLSA-N 1 2 334.366 3.699 20 0 EHADLO Cc1cc(C)c(NC(=O)N2Cc3ccccc3O[C@H](C)C2)c(C)[nH+]1 ZINC000455528665 1028301449 /nfs/dbraw/zinc/30/14/49/1028301449.db2.gz QZASNNRHTHEURP-CQSZACIVSA-N 1 2 325.412 3.822 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)cc1OC ZINC000421335089 1028304484 /nfs/dbraw/zinc/30/44/84/1028304484.db2.gz RQFCYNRBNODEAJ-NSHDSACASA-N 1 2 337.851 3.558 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)c[nH+]1 ZINC000455535815 1028312746 /nfs/dbraw/zinc/31/27/46/1028312746.db2.gz BMGHPZOVJWCDPZ-NRFANRHFSA-N 1 2 337.467 3.962 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1F ZINC000008308414 1028315643 /nfs/dbraw/zinc/31/56/43/1028315643.db2.gz LLEHJHYZYDRJHA-UHFFFAOYSA-N 1 2 340.398 3.939 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1F ZINC000008308414 1028315663 /nfs/dbraw/zinc/31/56/63/1028315663.db2.gz LLEHJHYZYDRJHA-UHFFFAOYSA-N 1 2 340.398 3.939 20 0 EHADLO C[C@H]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000056817215 1028346064 /nfs/dbraw/zinc/34/60/64/1028346064.db2.gz PJVYIUQIVUYQAU-IRXDYDNUSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502555452 1028355570 /nfs/dbraw/zinc/35/55/70/1028355570.db2.gz XALVLUBGRJLRHR-OAHLLOKOSA-N 1 2 338.426 3.552 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2cccc(F)c2C1 ZINC000502555452 1028355585 /nfs/dbraw/zinc/35/55/85/1028355585.db2.gz XALVLUBGRJLRHR-OAHLLOKOSA-N 1 2 338.426 3.552 20 0 EHADLO CCn1ccnc1C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399300 1028365243 /nfs/dbraw/zinc/36/52/43/1028365243.db2.gz SERLITKQIHMDEK-UHFFFAOYSA-N 1 2 349.478 3.877 20 0 EHADLO CCn1ccnc1C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399300 1028365261 /nfs/dbraw/zinc/36/52/61/1028365261.db2.gz SERLITKQIHMDEK-UHFFFAOYSA-N 1 2 349.478 3.877 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000431510435 1028384618 /nfs/dbraw/zinc/38/46/18/1028384618.db2.gz SJWQTGHVJVSVEV-UHFFFAOYSA-N 1 2 331.419 3.601 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000582969032 1028394015 /nfs/dbraw/zinc/39/40/15/1028394015.db2.gz YYZXCYGJWPDCLT-NZSAHSFTSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000545939665 1028464428 /nfs/dbraw/zinc/46/44/28/1028464428.db2.gz WNSKWXOBZWGMFL-ZYHUDNBSSA-N 1 2 330.375 3.855 20 0 EHADLO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072052264 1028496216 /nfs/dbraw/zinc/49/62/16/1028496216.db2.gz DEFYCODFTJPECV-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO Cc1nc(-c2ccccc2)c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000583007450 1028511058 /nfs/dbraw/zinc/51/10/58/1028511058.db2.gz IHGUZZAVVKQHHE-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c[nH+]1 ZINC000455569000 1028515593 /nfs/dbraw/zinc/51/55/93/1028515593.db2.gz JXTDBGQZEUNCDZ-ZDUSSCGKSA-N 1 2 345.393 3.806 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2cccc(F)c2)CCCCC1 ZINC000523662603 1028520490 /nfs/dbraw/zinc/52/04/90/1028520490.db2.gz AWAHJCUMEPSUPS-UHFFFAOYSA-N 1 2 343.446 3.821 20 0 EHADLO CCOc1ccc(SCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421563548 1028539712 /nfs/dbraw/zinc/53/97/12/1028539712.db2.gz XLEDYMNGFPTLPB-UHFFFAOYSA-N 1 2 330.453 3.506 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(OC)c(OCC(C)C)c1)C2 ZINC000897336297 1028549500 /nfs/dbraw/zinc/54/95/00/1028549500.db2.gz CMGADVWIHMYFKF-UHFFFAOYSA-N 1 2 343.471 3.505 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc(C)[nH+]1 ZINC000421580984 1028576081 /nfs/dbraw/zinc/57/60/81/1028576081.db2.gz XKISCTKLBAAIEK-GFCCVEGCSA-N 1 2 336.794 3.575 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C)c1cc2ccccc2o1 ZINC000583026987 1028584440 /nfs/dbraw/zinc/58/44/40/1028584440.db2.gz AOWZVOBYPFGLDP-GOEBONIOSA-N 1 2 337.423 3.801 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000246471013 1028593799 /nfs/dbraw/zinc/59/37/99/1028593799.db2.gz JLKQRFACZGUNEN-RDTXWAMCSA-N 1 2 346.496 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000246471013 1028593812 /nfs/dbraw/zinc/59/38/12/1028593812.db2.gz JLKQRFACZGUNEN-RDTXWAMCSA-N 1 2 346.496 3.624 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2nc3ccccc3s2)c1 ZINC000074040023 1028594232 /nfs/dbraw/zinc/59/42/32/1028594232.db2.gz GOARUGNNTXDGOC-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO FC(F)(F)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000074250876 1028603142 /nfs/dbraw/zinc/60/31/42/1028603142.db2.gz LOSFYABNJWBFTA-UHFFFAOYSA-N 1 2 342.390 3.518 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423787194 1028611762 /nfs/dbraw/zinc/61/17/62/1028611762.db2.gz UUYBTPDGAUWTJC-FRIZHTMISA-N 1 2 344.405 3.759 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423847485 1028649683 /nfs/dbraw/zinc/64/96/83/1028649683.db2.gz MNJQJFKFFNYAMJ-INIZCTEOSA-N 1 2 345.512 3.534 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000237866066 1028667968 /nfs/dbraw/zinc/66/79/68/1028667968.db2.gz LOQFFZWCVHIRKG-GOSISDBHSA-N 1 2 337.448 3.921 20 0 EHADLO C[C@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000429741485 1028722563 /nfs/dbraw/zinc/72/25/63/1028722563.db2.gz FIHXHOKIYQOWOA-JKSUJKDBSA-N 1 2 342.443 3.614 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1Cl ZINC000414550905 1028744897 /nfs/dbraw/zinc/74/48/97/1028744897.db2.gz NYTJWHPLUIWQHH-UHFFFAOYSA-N 1 2 333.741 3.723 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1Cl ZINC000414550905 1028744919 /nfs/dbraw/zinc/74/49/19/1028744919.db2.gz NYTJWHPLUIWQHH-UHFFFAOYSA-N 1 2 333.741 3.723 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000246933004 1028749429 /nfs/dbraw/zinc/74/94/29/1028749429.db2.gz TVJQBRSFFQXITO-XJOINEQPSA-N 1 2 343.858 3.612 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398629 1028760270 /nfs/dbraw/zinc/76/02/70/1028760270.db2.gz WYFUEWXYPMHFJQ-KBPBESRZSA-N 1 2 329.444 3.849 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398629 1028760287 /nfs/dbraw/zinc/76/02/87/1028760287.db2.gz WYFUEWXYPMHFJQ-KBPBESRZSA-N 1 2 329.444 3.849 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454317052 1028761447 /nfs/dbraw/zinc/76/14/47/1028761447.db2.gz KLVOZRGGLBSERD-QGZVFWFLSA-N 1 2 340.471 3.866 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245536497 1028779699 /nfs/dbraw/zinc/77/96/99/1028779699.db2.gz ICUHYNDGNSSUJL-UZLBHIALSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245536497 1028779717 /nfs/dbraw/zinc/77/97/17/1028779717.db2.gz ICUHYNDGNSSUJL-UZLBHIALSA-N 1 2 325.456 3.588 20 0 EHADLO CCC[N@H+](Cc1noc(C(C)C)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502890749 1028787034 /nfs/dbraw/zinc/78/70/34/1028787034.db2.gz CZGOGAHCRUAEME-HNNXBMFYSA-N 1 2 344.459 3.822 20 0 EHADLO CCC[N@@H+](Cc1noc(C(C)C)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502890749 1028787050 /nfs/dbraw/zinc/78/70/50/1028787050.db2.gz CZGOGAHCRUAEME-HNNXBMFYSA-N 1 2 344.459 3.822 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2C)cs1 ZINC000247502956 1028796719 /nfs/dbraw/zinc/79/67/19/1028796719.db2.gz OBZNJMZSEXHUSJ-QLFBSQMISA-N 1 2 345.512 3.930 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245544528 1028797623 /nfs/dbraw/zinc/79/76/23/1028797623.db2.gz UQGYCOYXNWSLLB-RHSMWYFYSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245544528 1028797636 /nfs/dbraw/zinc/79/76/36/1028797636.db2.gz UQGYCOYXNWSLLB-RHSMWYFYSA-N 1 2 343.496 3.672 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C4CC4)CC3)n2)C1 ZINC000532784924 1028836088 /nfs/dbraw/zinc/83/60/88/1028836088.db2.gz AMUORAIJJFJNSM-CYBMUJFWSA-N 1 2 348.516 3.687 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C4CC4)CC3)n2)C1 ZINC000532784924 1028836095 /nfs/dbraw/zinc/83/60/95/1028836095.db2.gz AMUORAIJJFJNSM-CYBMUJFWSA-N 1 2 348.516 3.687 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccncc1Cl ZINC000421864197 1028857486 /nfs/dbraw/zinc/85/74/86/1028857486.db2.gz ZGAQTIPTZUDATH-JTQLQIEISA-N 1 2 345.752 3.922 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000637873127 1028862375 /nfs/dbraw/zinc/86/23/75/1028862375.db2.gz GOVFASGNJBYYFU-DOTOQJQBSA-N 1 2 331.485 3.614 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000637873127 1028862391 /nfs/dbraw/zinc/86/23/91/1028862391.db2.gz GOVFASGNJBYYFU-DOTOQJQBSA-N 1 2 331.485 3.614 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2C(C)C)nn1-c1cccc(Cl)c1 ZINC000424164988 1028866577 /nfs/dbraw/zinc/86/65/77/1028866577.db2.gz FLEBTQQUZYOSDP-UHFFFAOYSA-N 1 2 329.835 3.646 20 0 EHADLO COc1ccc(CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1C ZINC000114264998 1028898071 /nfs/dbraw/zinc/89/80/71/1028898071.db2.gz OJQGTLFNAIZTFV-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245593608 1028901442 /nfs/dbraw/zinc/90/14/42/1028901442.db2.gz MHIFLOYUFOZFQK-DLBZAZTESA-N 1 2 336.838 3.697 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245593608 1028901457 /nfs/dbraw/zinc/90/14/57/1028901457.db2.gz MHIFLOYUFOZFQK-DLBZAZTESA-N 1 2 336.838 3.697 20 0 EHADLO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000343067524 1028929075 /nfs/dbraw/zinc/92/90/75/1028929075.db2.gz AYDXPXGKAXEEEZ-UHFFFAOYSA-N 1 2 344.256 3.988 20 0 EHADLO CCOc1ccc([C@@H](CC)[NH2+]Cc2nccc(OC)n2)cc1OCC ZINC000424313294 1028960940 /nfs/dbraw/zinc/96/09/40/1028960940.db2.gz XWKFTAGRHRBVRP-OAHLLOKOSA-N 1 2 345.443 3.524 20 0 EHADLO CCn1c(SCc2c[nH+]cn2Cc2ccccc2)nnc1C1CC1 ZINC000445593564 1028975689 /nfs/dbraw/zinc/97/56/89/1028975689.db2.gz WLQCFONJHSCVLF-UHFFFAOYSA-N 1 2 339.468 3.713 20 0 EHADLO COCc1cccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475632227 1029029768 /nfs/dbraw/zinc/02/97/68/1029029768.db2.gz DVNGWGPJJHCQHS-MRXNPFEDSA-N 1 2 340.250 3.963 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000092030629 1029098911 /nfs/dbraw/zinc/09/89/11/1029098911.db2.gz ZLBRUINCBPPJEV-UHFFFAOYSA-N 1 2 329.831 3.633 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000077548167 1029125089 /nfs/dbraw/zinc/12/50/89/1029125089.db2.gz OKSLVHNTEVHWBR-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(C4CC4)o3)ccc2NC1=O ZINC000271705787 1029130668 /nfs/dbraw/zinc/13/06/68/1029130668.db2.gz IOCYVCRCTBJUND-ABAIWWIYSA-N 1 2 341.411 3.512 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000424563632 1029131034 /nfs/dbraw/zinc/13/10/34/1029131034.db2.gz OMFUMOMIEJNXLG-UHFFFAOYSA-N 1 2 335.451 3.798 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nonc2C)ccc1OCCC(C)C ZINC000271730983 1029143403 /nfs/dbraw/zinc/14/34/03/1029143403.db2.gz ZWODFFGXSJPXOP-CYBMUJFWSA-N 1 2 333.432 3.662 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000445806793 1029145591 /nfs/dbraw/zinc/14/55/91/1029145591.db2.gz AYVWTJJJYKKFRA-QGZVFWFLSA-N 1 2 333.435 3.715 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000445806793 1029145603 /nfs/dbraw/zinc/14/56/03/1029145603.db2.gz AYVWTJJJYKKFRA-QGZVFWFLSA-N 1 2 333.435 3.715 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000248077899 1029171801 /nfs/dbraw/zinc/17/18/01/1029171801.db2.gz CBHSJRDOGUVWGP-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000248077899 1029171809 /nfs/dbraw/zinc/17/18/09/1029171809.db2.gz CBHSJRDOGUVWGP-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nnc4n3CCCCC4)CCCC2)c(F)c1 ZINC000271791131 1029172112 /nfs/dbraw/zinc/17/21/12/1029172112.db2.gz NAUGEDACZNHKOV-UHFFFAOYSA-N 1 2 346.425 3.842 20 0 EHADLO CSCC[C@H](CO)Nc1cc[nH+]c2c(Br)cccc12 ZINC000154584927 1029228532 /nfs/dbraw/zinc/22/85/32/1029228532.db2.gz HCMCYJSEIHNBGD-SNVBAGLBSA-N 1 2 341.274 3.523 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154508637 1029193615 /nfs/dbraw/zinc/19/36/15/1029193615.db2.gz BSOHQXJNXLFPAY-QGZVFWFLSA-N 1 2 339.439 3.587 20 0 EHADLO CCC[C@H](C(=O)OCC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000524450784 1029204272 /nfs/dbraw/zinc/20/42/72/1029204272.db2.gz FKHSJMVUHBOEAB-LJQANCHMSA-N 1 2 345.483 3.930 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000424652556 1029218115 /nfs/dbraw/zinc/21/81/15/1029218115.db2.gz WREIZGSOUZBXET-GOSISDBHSA-N 1 2 339.483 3.967 20 0 EHADLO c1csc(-c2cnc(C[NH+]3CCC(Oc4ccccn4)CC3)o2)c1 ZINC000533070613 1029267585 /nfs/dbraw/zinc/26/75/85/1029267585.db2.gz FYRITAPZDFNAGZ-UHFFFAOYSA-N 1 2 341.436 3.842 20 0 EHADLO CCCNC(=O)c1ccc(NCc2c[nH+]cn2C(C)C)cc1Cl ZINC000424716644 1029268172 /nfs/dbraw/zinc/26/81/72/1029268172.db2.gz HJKGJKALGHWQQZ-UHFFFAOYSA-N 1 2 334.851 3.869 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)c1 ZINC000458431967 1029270468 /nfs/dbraw/zinc/27/04/68/1029270468.db2.gz YHMPPSFQVAPJEB-KRWDZBQOSA-N 1 2 334.508 3.647 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(-n2cccn2)cc1 ZINC000052187487 1029298866 /nfs/dbraw/zinc/29/88/66/1029298866.db2.gz SHJOSHBJGQJDBR-UHFFFAOYSA-N 1 2 343.434 3.690 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(-n2cccn2)cc1 ZINC000052187487 1029298883 /nfs/dbraw/zinc/29/88/83/1029298883.db2.gz SHJOSHBJGQJDBR-UHFFFAOYSA-N 1 2 343.434 3.690 20 0 EHADLO O=C(Nc1ccc(OC2CCCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000533089876 1029317082 /nfs/dbraw/zinc/31/70/82/1029317082.db2.gz KYIYFEUJDSMHSQ-HNNXBMFYSA-N 1 2 339.439 3.796 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000664279628 1029334723 /nfs/dbraw/zinc/33/47/23/1029334723.db2.gz WIMSZXQOOBUPMC-YCPHGPKFSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000664279628 1029334739 /nfs/dbraw/zinc/33/47/39/1029334739.db2.gz WIMSZXQOOBUPMC-YCPHGPKFSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000255129215 1029346712 /nfs/dbraw/zinc/34/67/12/1029346712.db2.gz JZSICQNKUUENMT-CHWSQXEVSA-N 1 2 336.382 3.770 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000255129215 1029346720 /nfs/dbraw/zinc/34/67/20/1029346720.db2.gz JZSICQNKUUENMT-CHWSQXEVSA-N 1 2 336.382 3.770 20 0 EHADLO COc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)cc1C ZINC000357675405 1029352617 /nfs/dbraw/zinc/35/26/17/1029352617.db2.gz MJJWLBGSTMEIEU-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000255367522 1029366339 /nfs/dbraw/zinc/36/63/39/1029366339.db2.gz NWNVYJOVBQBGDW-RQOWECAXSA-N 1 2 349.409 3.790 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)Cc1cccc(-c2cccnc2)c1 ZINC000154991173 1029378145 /nfs/dbraw/zinc/37/81/45/1029378145.db2.gz QSZXVKCWOHRQEL-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)Cc1cccc(-c2cccnc2)c1 ZINC000154991173 1029378165 /nfs/dbraw/zinc/37/81/65/1029378165.db2.gz QSZXVKCWOHRQEL-UHFFFAOYSA-N 1 2 328.366 3.972 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(C1CCC1)C1CCC1 ZINC000505236193 1029389400 /nfs/dbraw/zinc/38/94/00/1029389400.db2.gz VPHJTUABBNJVHN-UHFFFAOYSA-N 1 2 337.467 3.764 20 0 EHADLO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2c(F)cccc2F)c1 ZINC000524648002 1029405362 /nfs/dbraw/zinc/40/53/62/1029405362.db2.gz QPUWUFWNFAFHRT-HUUCEWRRSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2c(F)cccc2F)c1 ZINC000524648002 1029405375 /nfs/dbraw/zinc/40/53/75/1029405375.db2.gz QPUWUFWNFAFHRT-HUUCEWRRSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1nc(C)c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC000272309518 1029409971 /nfs/dbraw/zinc/40/99/71/1029409971.db2.gz WKPQRHWIZOYYFA-SCRDCRAPSA-N 1 2 346.500 3.942 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2cc(F)c(Cl)cc2F)c[nH+]1 ZINC000454889792 1029414451 /nfs/dbraw/zinc/41/44/51/1029414451.db2.gz IDRKDZOFQBFBCR-UHFFFAOYSA-N 1 2 339.773 3.629 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCc4ccccc4C3)c(C(C)C)nc2s1 ZINC000505242092 1029420592 /nfs/dbraw/zinc/42/05/92/1029420592.db2.gz GNQQZFLZMYAJEL-UHFFFAOYSA-N 1 2 326.469 3.781 20 0 EHADLO Cc1nn2c(C[N@H+]3CCc4ccccc4C3)c(C(C)C)nc2s1 ZINC000505242092 1029420596 /nfs/dbraw/zinc/42/05/96/1029420596.db2.gz GNQQZFLZMYAJEL-UHFFFAOYSA-N 1 2 326.469 3.781 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272362268 1029433338 /nfs/dbraw/zinc/43/33/38/1029433338.db2.gz SGTCYXRZADBZFJ-HNNXBMFYSA-N 1 2 326.444 3.556 20 0 EHADLO COc1cc(C)[nH+]c(CN[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000272380850 1029440283 /nfs/dbraw/zinc/44/02/83/1029440283.db2.gz YJPIRXPZYCAUKO-CYBMUJFWSA-N 1 2 330.432 3.680 20 0 EHADLO O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044442526 1029449215 /nfs/dbraw/zinc/44/92/15/1029449215.db2.gz WLWKPBYZRFJYCN-UHFFFAOYSA-N 1 2 338.436 3.519 20 0 EHADLO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1SC ZINC000505319957 1029465939 /nfs/dbraw/zinc/46/59/39/1029465939.db2.gz IFTLJDOOTSLALH-UHFFFAOYSA-N 1 2 346.471 3.878 20 0 EHADLO O=C(CCCC1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000524768669 1029496544 /nfs/dbraw/zinc/49/65/44/1029496544.db2.gz ATNHBHXRUJRMBV-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)cc1 ZINC000583276844 1029508774 /nfs/dbraw/zinc/50/87/74/1029508774.db2.gz ULWMZCOBOZEQRI-OAHLLOKOSA-N 1 2 333.844 3.703 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)cc1 ZINC000583276844 1029508778 /nfs/dbraw/zinc/50/87/78/1029508778.db2.gz ULWMZCOBOZEQRI-OAHLLOKOSA-N 1 2 333.844 3.703 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](C)CC3(C)C)s2)cc1 ZINC000272615539 1029536491 /nfs/dbraw/zinc/53/64/91/1029536491.db2.gz SDAZMXKDOJLESR-CYBMUJFWSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](C)CC3(C)C)s2)cc1 ZINC000272615539 1029536500 /nfs/dbraw/zinc/53/65/00/1029536500.db2.gz SDAZMXKDOJLESR-CYBMUJFWSA-N 1 2 344.484 3.719 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(-c4ccoc4)c3)n2)C1 ZINC000272628955 1029541697 /nfs/dbraw/zinc/54/16/97/1029541697.db2.gz KBQQOUBCZKZHCA-QGZVFWFLSA-N 1 2 339.395 3.778 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(-c4ccoc4)c3)n2)C1 ZINC000272628955 1029541701 /nfs/dbraw/zinc/54/17/01/1029541701.db2.gz KBQQOUBCZKZHCA-QGZVFWFLSA-N 1 2 339.395 3.778 20 0 EHADLO CC(C)C[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000524859733 1029556390 /nfs/dbraw/zinc/55/63/90/1029556390.db2.gz VOYFCYSPTPLNEV-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000434288635 1029559568 /nfs/dbraw/zinc/55/95/68/1029559568.db2.gz ROILPMQMITVRNA-GOSISDBHSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000434288635 1029559578 /nfs/dbraw/zinc/55/95/78/1029559578.db2.gz ROILPMQMITVRNA-GOSISDBHSA-N 1 2 325.456 3.946 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000524976352 1029642948 /nfs/dbraw/zinc/64/29/48/1029642948.db2.gz YQPLMVMLQMMQRK-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000583348716 1029678601 /nfs/dbraw/zinc/67/86/01/1029678601.db2.gz BTVGEPKIKRELMC-QUCCMNQESA-N 1 2 345.414 3.774 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000583348716 1029678607 /nfs/dbraw/zinc/67/86/07/1029678607.db2.gz BTVGEPKIKRELMC-QUCCMNQESA-N 1 2 345.414 3.774 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000155886040 1029681158 /nfs/dbraw/zinc/68/11/58/1029681158.db2.gz BKJAEVPUIASLHV-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1ccccc1 ZINC000728562836 1029693548 /nfs/dbraw/zinc/69/35/48/1029693548.db2.gz OPXBXPCQISRHPQ-INIZCTEOSA-N 1 2 328.485 3.933 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1ccccc1 ZINC000728562836 1029693558 /nfs/dbraw/zinc/69/35/58/1029693558.db2.gz OPXBXPCQISRHPQ-INIZCTEOSA-N 1 2 328.485 3.933 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155996414 1029719728 /nfs/dbraw/zinc/71/97/28/1029719728.db2.gz BFLDRAJIYQROPP-WOJBJXKFSA-N 1 2 345.446 3.546 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268363347 1029743575 /nfs/dbraw/zinc/74/35/75/1029743575.db2.gz TWJKGAJSYQKGSL-WDSOQIARSA-N 1 2 340.471 3.873 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1Cl ZINC000343212417 1029766126 /nfs/dbraw/zinc/76/61/26/1029766126.db2.gz PPAWRUVVTCTYOK-LBPRGKRZSA-N 1 2 342.892 3.505 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCc1ccccc1 ZINC000615116479 1029793744 /nfs/dbraw/zinc/79/37/44/1029793744.db2.gz SLJBJPYJPXWICX-IBGZPJMESA-N 1 2 329.415 3.522 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446779704 1029797713 /nfs/dbraw/zinc/79/77/13/1029797713.db2.gz BFYDBUJEPUBZRI-CJNGLKHVSA-N 1 2 349.475 3.934 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446779704 1029797718 /nfs/dbraw/zinc/79/77/18/1029797718.db2.gz BFYDBUJEPUBZRI-CJNGLKHVSA-N 1 2 349.475 3.934 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455649160 1029811280 /nfs/dbraw/zinc/81/12/80/1029811280.db2.gz PZTUSPUFWNKQRY-KSSFIOAISA-N 1 2 345.874 3.955 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1oc(C(C)C)nc1C)CC2 ZINC000428458796 1029844588 /nfs/dbraw/zinc/84/45/88/1029844588.db2.gz CFMJWMPQUMSBOA-UHFFFAOYSA-N 1 2 330.428 3.682 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1oc(C(C)C)nc1C)CC2 ZINC000428458796 1029844591 /nfs/dbraw/zinc/84/45/91/1029844591.db2.gz CFMJWMPQUMSBOA-UHFFFAOYSA-N 1 2 330.428 3.682 20 0 EHADLO CC(C)c1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127190949 1029846909 /nfs/dbraw/zinc/84/69/09/1029846909.db2.gz PRGSKDUPRIKFMW-MRXNPFEDSA-N 1 2 325.412 3.890 20 0 EHADLO CSc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000525455379 1029854240 /nfs/dbraw/zinc/85/42/40/1029854240.db2.gz SWROKXCBYRGGKG-HNNXBMFYSA-N 1 2 335.860 3.698 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533818440 1029866541 /nfs/dbraw/zinc/86/65/41/1029866541.db2.gz OKAIUSJSFXLVQV-UHFFFAOYSA-N 1 2 348.537 3.785 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808885 1029868248 /nfs/dbraw/zinc/86/82/48/1029868248.db2.gz NBZDRNXEFSAEGE-DLBZAZTESA-N 1 2 335.517 3.544 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000458559082 1029919654 /nfs/dbraw/zinc/91/96/54/1029919654.db2.gz BDJWNBVJOHJALV-IBGZPJMESA-N 1 2 340.471 3.583 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000455787438 1029937845 /nfs/dbraw/zinc/93/78/45/1029937845.db2.gz YPNBCZOJBKWKDE-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000455787438 1029937861 /nfs/dbraw/zinc/93/78/61/1029937861.db2.gz YPNBCZOJBKWKDE-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO CC(C)Cc1noc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000429712819 1029945167 /nfs/dbraw/zinc/94/51/67/1029945167.db2.gz CGXHHOJSHDNRSG-UHFFFAOYSA-N 1 2 347.434 3.588 20 0 EHADLO CC(C)Cc1noc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000429712819 1029945179 /nfs/dbraw/zinc/94/51/79/1029945179.db2.gz CGXHHOJSHDNRSG-UHFFFAOYSA-N 1 2 347.434 3.588 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCCc4ccccc4C3)n2)c1 ZINC000481778854 1029948874 /nfs/dbraw/zinc/94/88/74/1029948874.db2.gz LOXRZJOCOKQMSZ-UHFFFAOYSA-N 1 2 337.398 3.748 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCCc4ccccc4C3)n2)c1 ZINC000481778854 1029948895 /nfs/dbraw/zinc/94/88/95/1029948895.db2.gz LOXRZJOCOKQMSZ-UHFFFAOYSA-N 1 2 337.398 3.748 20 0 EHADLO Cc1cnccc1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278283350 1029950954 /nfs/dbraw/zinc/95/09/54/1029950954.db2.gz ZXWBKSSAXBRFHX-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCCCC[C@@H]1c1ccco1 ZINC000152267094 1029953782 /nfs/dbraw/zinc/95/37/82/1029953782.db2.gz TZFKZMXTNMZLBZ-MRXNPFEDSA-N 1 2 342.443 3.804 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1Cl ZINC000127749415 1029978115 /nfs/dbraw/zinc/97/81/15/1029978115.db2.gz QUTNWFYBOYMGOI-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1Cl ZINC000127749415 1029978127 /nfs/dbraw/zinc/97/81/27/1029978127.db2.gz QUTNWFYBOYMGOI-KBPBESRZSA-N 1 2 331.847 3.605 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1C ZINC000127954697 1030039064 /nfs/dbraw/zinc/03/90/64/1030039064.db2.gz AZKKMLWMVRSQPI-IRXDYDNUSA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1C ZINC000127954697 1030039077 /nfs/dbraw/zinc/03/90/77/1030039077.db2.gz AZKKMLWMVRSQPI-IRXDYDNUSA-N 1 2 325.456 3.569 20 0 EHADLO Fc1cc(Br)ccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449697020 1030047543 /nfs/dbraw/zinc/04/75/43/1030047543.db2.gz JQXOZQGJEWVAAZ-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(C(C)=O)c2)c1C ZINC000058601828 1030054171 /nfs/dbraw/zinc/05/41/71/1030054171.db2.gz OXHRPNKZQDNCNC-UHFFFAOYSA-N 1 2 341.411 3.574 20 0 EHADLO Cn1ncc(Br)c1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000278300400 1030064336 /nfs/dbraw/zinc/06/43/36/1030064336.db2.gz CDPOHAZJWSDGGW-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000090166224 1030078261 /nfs/dbraw/zinc/07/82/61/1030078261.db2.gz SPXNVCSIVKNTLQ-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO CCCCOc1ccccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000278306990 1030081927 /nfs/dbraw/zinc/08/19/27/1030081927.db2.gz APERTNXXMPJPGD-UHFFFAOYSA-N 1 2 336.439 3.736 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447299785 1030096202 /nfs/dbraw/zinc/09/62/02/1030096202.db2.gz UJMOHTGXMKZKLE-LBPRGKRZSA-N 1 2 328.161 3.535 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447299785 1030096213 /nfs/dbraw/zinc/09/62/13/1030096213.db2.gz UJMOHTGXMKZKLE-LBPRGKRZSA-N 1 2 328.161 3.535 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2sccc21 ZINC000453322504 1030101943 /nfs/dbraw/zinc/10/19/43/1030101943.db2.gz PALBMJHXVQIFQN-SKDRFNHKSA-N 1 2 340.290 3.972 20 0 EHADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CC=CCC1 ZINC000343286977 1030110317 /nfs/dbraw/zinc/11/03/17/1030110317.db2.gz ZDTSXHNJGFRHHA-MRXNPFEDSA-N 1 2 349.438 3.618 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(C)o1 ZINC000278315079 1030118241 /nfs/dbraw/zinc/11/82/41/1030118241.db2.gz UJBVKAWNOHNPPG-JTQLQIEISA-N 1 2 338.333 3.809 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000453339807 1030124456 /nfs/dbraw/zinc/12/44/56/1030124456.db2.gz GWPQEKDZSBKDLK-MRVWCRGKSA-N 1 2 343.427 3.634 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000447372728 1030144599 /nfs/dbraw/zinc/14/45/99/1030144599.db2.gz KDEUOGFJCPNZJO-UHFFFAOYSA-N 1 2 333.453 3.792 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000447372728 1030144607 /nfs/dbraw/zinc/14/46/07/1030144607.db2.gz KDEUOGFJCPNZJO-UHFFFAOYSA-N 1 2 333.453 3.792 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C4CCC4)c3)n2)C1 ZINC000583569296 1030146677 /nfs/dbraw/zinc/14/66/77/1030146677.db2.gz UDLVKZVXSZOGSI-QGZVFWFLSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C4CCC4)c3)n2)C1 ZINC000583569296 1030146683 /nfs/dbraw/zinc/14/66/83/1030146683.db2.gz UDLVKZVXSZOGSI-QGZVFWFLSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000447379375 1030147115 /nfs/dbraw/zinc/14/71/15/1030147115.db2.gz GLDNSKLZGRAIHH-UHFFFAOYSA-N 1 2 338.517 3.994 20 0 EHADLO CCc1ncc(C[NH2+][C@H](C)c2cc(Br)ccc2F)o1 ZINC000453382190 1030160697 /nfs/dbraw/zinc/16/06/97/1030160697.db2.gz LOMZEBQMZGSPME-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000052440849 1030174571 /nfs/dbraw/zinc/17/45/71/1030174571.db2.gz NKTUUIPOPALXIV-CQSZACIVSA-N 1 2 326.234 3.749 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000052440849 1030174579 /nfs/dbraw/zinc/17/45/79/1030174579.db2.gz NKTUUIPOPALXIV-CQSZACIVSA-N 1 2 326.234 3.749 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000128555436 1030209980 /nfs/dbraw/zinc/20/99/80/1030209980.db2.gz BZASVJFDTKABRP-CRAIPNDOSA-N 1 2 342.443 3.785 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCCCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000154115939 1030270781 /nfs/dbraw/zinc/27/07/81/1030270781.db2.gz WHVUGZMNOWQHKU-AEFFLSMTSA-N 1 2 332.492 3.836 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000537637009 1030282238 /nfs/dbraw/zinc/28/22/38/1030282238.db2.gz DXBZVWRWPCWYNG-SFHVURJKSA-N 1 2 330.378 3.511 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000537637009 1030282252 /nfs/dbraw/zinc/28/22/52/1030282252.db2.gz DXBZVWRWPCWYNG-SFHVURJKSA-N 1 2 330.378 3.511 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121570139 1030299083 /nfs/dbraw/zinc/29/90/83/1030299083.db2.gz TUKQHWCMGJYRLS-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121570139 1030299097 /nfs/dbraw/zinc/29/90/97/1030299097.db2.gz TUKQHWCMGJYRLS-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO CC[C@H](C)[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000158179392 1030314333 /nfs/dbraw/zinc/31/43/33/1030314333.db2.gz ASOQTYBURAWKIG-NSHDSACASA-N 1 2 338.249 3.653 20 0 EHADLO CC[C@H](C)[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000158179392 1030314354 /nfs/dbraw/zinc/31/43/54/1030314354.db2.gz ASOQTYBURAWKIG-NSHDSACASA-N 1 2 338.249 3.653 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000092044607 1030363413 /nfs/dbraw/zinc/36/34/13/1030363413.db2.gz GAPIPUGTRWPXTB-LBPRGKRZSA-N 1 2 330.457 3.997 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000092044607 1030363427 /nfs/dbraw/zinc/36/34/27/1030363427.db2.gz GAPIPUGTRWPXTB-LBPRGKRZSA-N 1 2 330.457 3.997 20 0 EHADLO CC(C)n1nccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000157210921 1030373426 /nfs/dbraw/zinc/37/34/26/1030373426.db2.gz UYGAMXDFRICUFQ-UHFFFAOYSA-N 1 2 329.791 3.555 20 0 EHADLO c1cc(-c2ccccc2)oc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121808996 1030397193 /nfs/dbraw/zinc/39/71/93/1030397193.db2.gz AEZZBNHQMOHAKN-UHFFFAOYSA-N 1 2 335.407 3.790 20 0 EHADLO CCc1cnc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000526058525 1030398999 /nfs/dbraw/zinc/39/89/99/1030398999.db2.gz RWVQFXVQLDRSJX-UHFFFAOYSA-N 1 2 328.334 3.767 20 0 EHADLO CCc1cnc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000526058525 1030399017 /nfs/dbraw/zinc/39/90/17/1030399017.db2.gz RWVQFXVQLDRSJX-UHFFFAOYSA-N 1 2 328.334 3.767 20 0 EHADLO CC[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)Oc1cccc(C)c1 ZINC000583663692 1030401960 /nfs/dbraw/zinc/40/19/60/1030401960.db2.gz QROBWEDMHXEUOK-INIZCTEOSA-N 1 2 338.411 3.622 20 0 EHADLO CCC(CC)n1nccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000158806520 1030414332 /nfs/dbraw/zinc/41/43/32/1030414332.db2.gz ORMFIHSTJMUZII-UHFFFAOYSA-N 1 2 341.390 3.821 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567968136 1030438010 /nfs/dbraw/zinc/43/80/10/1030438010.db2.gz ZSQQTYYWGZVHNX-GUYCJALGSA-N 1 2 347.821 3.506 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2F)C[C@]2(CCCOC2)O1 ZINC000482458467 1030444386 /nfs/dbraw/zinc/44/43/86/1030444386.db2.gz XGLXJXNTEDXPJI-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@]2(CCCOC2)O1 ZINC000482458467 1030444398 /nfs/dbraw/zinc/44/43/98/1030444398.db2.gz XGLXJXNTEDXPJI-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO c1coc(C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]2CCCO2)c1 ZINC000092437437 1030453369 /nfs/dbraw/zinc/45/33/69/1030453369.db2.gz BTTSALLPMGMRLG-IBGZPJMESA-N 1 2 337.423 3.851 20 0 EHADLO c1coc(C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]2CCCO2)c1 ZINC000092437437 1030453373 /nfs/dbraw/zinc/45/33/73/1030453373.db2.gz BTTSALLPMGMRLG-IBGZPJMESA-N 1 2 337.423 3.851 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000526926526 1030483252 /nfs/dbraw/zinc/48/32/52/1030483252.db2.gz HKGUKWSMVKWNIP-HNNXBMFYSA-N 1 2 349.434 3.736 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000526926526 1030483264 /nfs/dbraw/zinc/48/32/64/1030483264.db2.gz HKGUKWSMVKWNIP-HNNXBMFYSA-N 1 2 349.434 3.736 20 0 EHADLO Fc1cc(Br)cc([C@H]([NH2+]Cc2csnn2)C2CC2)c1 ZINC000482508780 1030486131 /nfs/dbraw/zinc/48/61/31/1030486131.db2.gz PIEMVRJNAOGPOS-CYBMUJFWSA-N 1 2 342.237 3.681 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)nc2ccccc12 ZINC000532218594 1030486761 /nfs/dbraw/zinc/48/67/61/1030486761.db2.gz LICGGQTVPHWRIZ-RKNYENMMSA-N 1 2 339.464 3.526 20 0 EHADLO Cc1cc2[nH]c(C[N@@H+]3CCN(C(=O)C4CC4)CC3(C)C)cc2c(C)c1 ZINC000482506901 1030487504 /nfs/dbraw/zinc/48/75/04/1030487504.db2.gz HPGOWQNMBFNPFT-UHFFFAOYSA-N 1 2 339.483 3.618 20 0 EHADLO Cc1cc2[nH]c(C[N@H+]3CCN(C(=O)C4CC4)CC3(C)C)cc2c(C)c1 ZINC000482506901 1030487512 /nfs/dbraw/zinc/48/75/12/1030487512.db2.gz HPGOWQNMBFNPFT-UHFFFAOYSA-N 1 2 339.483 3.618 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@@H](c3cccs3)C2)n1-c1ccccc1 ZINC000092594140 1030491076 /nfs/dbraw/zinc/49/10/76/1030491076.db2.gz CLZVDYZJYHGCJT-GOSISDBHSA-N 1 2 339.464 3.816 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000343365065 1030513597 /nfs/dbraw/zinc/51/35/97/1030513597.db2.gz DSDTYZYKEUKBTJ-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831219 1030518270 /nfs/dbraw/zinc/51/82/70/1030518270.db2.gz KOKBWKGSLWFILT-ZRGWGRIASA-N 1 2 344.480 3.578 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831219 1030518281 /nfs/dbraw/zinc/51/82/81/1030518281.db2.gz KOKBWKGSLWFILT-ZRGWGRIASA-N 1 2 344.480 3.578 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)ncc1Br ZINC000628121050 1030552618 /nfs/dbraw/zinc/55/26/18/1030552618.db2.gz PFGWUJPUYKQJAQ-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)ncc1Br ZINC000628121050 1030552623 /nfs/dbraw/zinc/55/26/23/1030552623.db2.gz PFGWUJPUYKQJAQ-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO CCn1cnnc1C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129792181 1030552855 /nfs/dbraw/zinc/55/28/55/1030552855.db2.gz UHEAXMZRXDXDHD-INIZCTEOSA-N 1 2 326.444 3.614 20 0 EHADLO C[N@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104766 1030561929 /nfs/dbraw/zinc/56/19/29/1030561929.db2.gz RJWOWEAHHUXVBV-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO C[N@@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104766 1030561945 /nfs/dbraw/zinc/56/19/45/1030561945.db2.gz RJWOWEAHHUXVBV-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO NC(=O)c1ccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000532359127 1030565300 /nfs/dbraw/zinc/56/53/00/1030565300.db2.gz LWOOSNPBUMWSRE-UHFFFAOYSA-N 1 2 335.234 3.871 20 0 EHADLO CC[N@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccccc1C ZINC000060468270 1030565766 /nfs/dbraw/zinc/56/57/66/1030565766.db2.gz ANMQBOXQSBHFRL-UHFFFAOYSA-N 1 2 335.455 3.610 20 0 EHADLO CC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccccc1C ZINC000060468270 1030565775 /nfs/dbraw/zinc/56/57/75/1030565775.db2.gz ANMQBOXQSBHFRL-UHFFFAOYSA-N 1 2 335.455 3.610 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cscn2)c1)c1cccc(F)c1 ZINC000060526776 1030570784 /nfs/dbraw/zinc/57/07/84/1030570784.db2.gz NHSYDZSRUKQIIL-UHFFFAOYSA-N 1 2 341.411 3.824 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000093336071 1030589226 /nfs/dbraw/zinc/58/92/26/1030589226.db2.gz DNIYASFYZYMLIJ-UHFFFAOYSA-N 1 2 346.496 3.980 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000093336071 1030589236 /nfs/dbraw/zinc/58/92/36/1030589236.db2.gz DNIYASFYZYMLIJ-UHFFFAOYSA-N 1 2 346.496 3.980 20 0 EHADLO CCCOc1cccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508614950 1030611758 /nfs/dbraw/zinc/61/17/58/1030611758.db2.gz MJOVHTYEBJQAJV-JTDSTZFVSA-N 1 2 348.487 3.548 20 0 EHADLO CCCOc1cccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508614950 1030611772 /nfs/dbraw/zinc/61/17/72/1030611772.db2.gz MJOVHTYEBJQAJV-JTDSTZFVSA-N 1 2 348.487 3.548 20 0 EHADLO OCCSCc1cc[nH+]c(NCCSCc2ccccc2)c1 ZINC000193915289 1030627948 /nfs/dbraw/zinc/62/79/48/1030627948.db2.gz TYFCWVWOKQQRGA-UHFFFAOYSA-N 1 2 334.510 3.652 20 0 EHADLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000169950740 1030683845 /nfs/dbraw/zinc/68/38/45/1030683845.db2.gz VUFKIRJWFMXIEA-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OCC2CC2)CC1 ZINC000360022268 1030717274 /nfs/dbraw/zinc/71/72/74/1030717274.db2.gz PIIRVEPUNHCWKM-ZDUSSCGKSA-N 1 2 336.863 3.558 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(Cc1cccs1)C1CC1 ZINC000635222763 1030773517 /nfs/dbraw/zinc/77/35/17/1030773517.db2.gz GQFJHYPYDYEYGJ-CYBMUJFWSA-N 1 2 343.374 3.629 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)c1nccn1C ZINC000657794060 1030784640 /nfs/dbraw/zinc/78/46/40/1030784640.db2.gz NFWNSRDCJHNYOT-ZDUSSCGKSA-N 1 2 343.862 3.727 20 0 EHADLO CCCn1nc(C)c(C[N@H+](C)Cc2ccc(Br)o2)c1C ZINC000130675661 1030826897 /nfs/dbraw/zinc/82/68/97/1030826897.db2.gz JHNBKBQIMQFWNP-UHFFFAOYSA-N 1 2 340.265 3.897 20 0 EHADLO CCCn1nc(C)c(C[N@@H+](C)Cc2ccc(Br)o2)c1C ZINC000130675661 1030826919 /nfs/dbraw/zinc/82/69/19/1030826919.db2.gz JHNBKBQIMQFWNP-UHFFFAOYSA-N 1 2 340.265 3.897 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172094195 1030831450 /nfs/dbraw/zinc/83/14/50/1030831450.db2.gz WZFBCGBWZLULPS-LPHOPBHVSA-N 1 2 331.419 3.891 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ncc(C)s2)cc1Cl ZINC000123008192 1030834793 /nfs/dbraw/zinc/83/47/93/1030834793.db2.gz STGRTETZIWKLHE-SNVBAGLBSA-N 1 2 326.849 3.973 20 0 EHADLO Fc1ccccc1-n1ccc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000527356141 1030847585 /nfs/dbraw/zinc/84/75/85/1030847585.db2.gz TUVLLPGSDPFHJP-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000536136261 1030851400 /nfs/dbraw/zinc/85/14/00/1030851400.db2.gz KEFXTEBGAYRQOQ-MRXNPFEDSA-N 1 2 338.455 3.594 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C2CCCCC2)n1 ZINC000650759948 1030854099 /nfs/dbraw/zinc/85/40/99/1030854099.db2.gz UPERDMVKHWJTJS-HKUYNNGSSA-N 1 2 339.487 3.833 20 0 EHADLO COC(=O)[C@@H]([NH2+]CCOC(c1ccccc1)c1ccccc1)C(C)C ZINC000545177475 1030863694 /nfs/dbraw/zinc/86/36/94/1030863694.db2.gz HZWBMTFKBMCPOC-IBGZPJMESA-N 1 2 341.451 3.580 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966235 1030868830 /nfs/dbraw/zinc/86/88/30/1030868830.db2.gz MMFDLQGKJWUKSV-TZMCWYRMSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966235 1030868846 /nfs/dbraw/zinc/86/88/46/1030868846.db2.gz MMFDLQGKJWUKSV-TZMCWYRMSA-N 1 2 331.485 3.736 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccncc3s2)C[C@H](C(F)(F)F)O1 ZINC000668187733 1030887735 /nfs/dbraw/zinc/88/77/35/1030887735.db2.gz PJVNHABMWIPBLV-CYBMUJFWSA-N 1 2 330.375 3.838 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccncc3s2)C[C@H](C(F)(F)F)O1 ZINC000668187733 1030887759 /nfs/dbraw/zinc/88/77/59/1030887759.db2.gz PJVNHABMWIPBLV-CYBMUJFWSA-N 1 2 330.375 3.838 20 0 EHADLO COCCNc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(F)F)cc1 ZINC000537656523 1030894395 /nfs/dbraw/zinc/89/43/95/1030894395.db2.gz HYLNAVANUDNWQE-SFHVURJKSA-N 1 2 334.410 3.711 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)[nH+]1 ZINC000097214179 1030904924 /nfs/dbraw/zinc/90/49/24/1030904924.db2.gz XGVCDUWQYJAPEE-UHFFFAOYSA-N 1 2 325.412 3.854 20 0 EHADLO CC(=O)N[C@@H](CC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(C)cc1 ZINC000097214022 1030905725 /nfs/dbraw/zinc/90/57/25/1030905725.db2.gz GGXZZNCACVJBNF-SFHVURJKSA-N 1 2 339.439 3.521 20 0 EHADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(C(F)(F)F)CCCCC1 ZINC000668192186 1030910226 /nfs/dbraw/zinc/91/02/26/1030910226.db2.gz WXECZJOMOVRPTC-CYBMUJFWSA-N 1 2 329.366 3.559 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448335462 1030971643 /nfs/dbraw/zinc/97/16/43/1030971643.db2.gz RWEROWDKDQJNTP-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448335462 1030971658 /nfs/dbraw/zinc/97/16/58/1030971658.db2.gz RWEROWDKDQJNTP-CQSZACIVSA-N 1 2 338.517 3.994 20 0 EHADLO Cc1nc2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2o1 ZINC000098025636 1030993082 /nfs/dbraw/zinc/99/30/82/1030993082.db2.gz RVYPWJOFYCPSPB-UHFFFAOYSA-N 1 2 347.378 3.644 20 0 EHADLO COc1cccc(Cl)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000172819835 1031003977 /nfs/dbraw/zinc/00/39/77/1031003977.db2.gz QZTKHMZRNDDJRO-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483177649 1031012657 /nfs/dbraw/zinc/01/26/57/1031012657.db2.gz MLZXJVSIHOIPGF-PXAZEXFGSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483177649 1031012673 /nfs/dbraw/zinc/01/26/73/1031012673.db2.gz MLZXJVSIHOIPGF-PXAZEXFGSA-N 1 2 327.827 3.810 20 0 EHADLO c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCC2CCC2)cc1 ZINC000172898770 1031026267 /nfs/dbraw/zinc/02/62/67/1031026267.db2.gz MXUDZTPWVRANCK-UHFFFAOYSA-N 1 2 342.512 3.814 20 0 EHADLO CC(=O)N1CCc2cc(NCc3c[nH+]c(C)n3-c3ccccc3)ccc21 ZINC000343470371 1031028013 /nfs/dbraw/zinc/02/80/13/1031028013.db2.gz GZFQHIKIBMUYPK-UHFFFAOYSA-N 1 2 346.434 3.702 20 0 EHADLO Cc1cccc(C)c1NCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000173166315 1031054573 /nfs/dbraw/zinc/05/45/73/1031054573.db2.gz BUSHMTMARGRIKQ-UHFFFAOYSA-N 1 2 338.386 3.679 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@H]1CCCc2occc21 ZINC000527637836 1031063585 /nfs/dbraw/zinc/06/35/85/1031063585.db2.gz PAIURDSCPPQIHH-LBPRGKRZSA-N 1 2 325.181 3.743 20 0 EHADLO C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173733734 1031100023 /nfs/dbraw/zinc/10/00/23/1031100023.db2.gz RBGBMFFOWCRAAJ-MRXNPFEDSA-N 1 2 346.434 3.605 20 0 EHADLO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1CCCc2cccnc21 ZINC000483311289 1031104581 /nfs/dbraw/zinc/10/45/81/1031104581.db2.gz PQIOFADIUXDZLV-KRWDZBQOSA-N 1 2 327.476 3.718 20 0 EHADLO CCC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1CCCc2cccnc21 ZINC000483311289 1031104591 /nfs/dbraw/zinc/10/45/91/1031104591.db2.gz PQIOFADIUXDZLV-KRWDZBQOSA-N 1 2 327.476 3.718 20 0 EHADLO COCc1noc([C@@H](C)[N@H+](C)CCOc2ccccc2C(C)(C)C)n1 ZINC000483310741 1031105093 /nfs/dbraw/zinc/10/50/93/1031105093.db2.gz ONLRSQMCXSZZIM-CQSZACIVSA-N 1 2 347.459 3.585 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+](C)CCOc2ccccc2C(C)(C)C)n1 ZINC000483310741 1031105104 /nfs/dbraw/zinc/10/51/04/1031105104.db2.gz ONLRSQMCXSZZIM-CQSZACIVSA-N 1 2 347.459 3.585 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000483343232 1031129171 /nfs/dbraw/zinc/12/91/71/1031129171.db2.gz PJNIGVFDBJFSPM-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000483343232 1031129179 /nfs/dbraw/zinc/12/91/79/1031129179.db2.gz PJNIGVFDBJFSPM-UHFFFAOYSA-N 1 2 326.444 3.622 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C12CCC2 ZINC000666975792 1031176507 /nfs/dbraw/zinc/17/65/07/1031176507.db2.gz YOZZGVBINOJATH-HUUCEWRRSA-N 1 2 342.443 3.582 20 0 EHADLO Cc1cc(F)ccc1CN(C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000477017760 1031179154 /nfs/dbraw/zinc/17/91/54/1031179154.db2.gz OSRIVHRZXOBTFM-AWEZNQCLSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(F)ccc1CN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000477017760 1031179164 /nfs/dbraw/zinc/17/91/64/1031179164.db2.gz OSRIVHRZXOBTFM-AWEZNQCLSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000477017761 1031179534 /nfs/dbraw/zinc/17/95/34/1031179534.db2.gz OSRIVHRZXOBTFM-CQSZACIVSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000477017761 1031179536 /nfs/dbraw/zinc/17/95/36/1031179536.db2.gz OSRIVHRZXOBTFM-CQSZACIVSA-N 1 2 343.446 3.744 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1 ZINC000173991561 1031191357 /nfs/dbraw/zinc/19/13/57/1031191357.db2.gz HSESIDSUIWSFDY-HZPDHXFCSA-N 1 2 349.434 3.697 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1nccs1 ZINC000152619678 1031205146 /nfs/dbraw/zinc/20/51/46/1031205146.db2.gz QRWDDXWZSSQSKY-XIKOKIGWSA-N 1 2 332.469 3.890 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)CCCC(F)(F)F)C2 ZINC000477088332 1031232909 /nfs/dbraw/zinc/23/29/09/1031232909.db2.gz NBKPVUDOBNAKPT-NEPJUHHUSA-N 1 2 345.409 3.875 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CCCC(F)(F)F)CC2 ZINC000477088332 1031232923 /nfs/dbraw/zinc/23/29/23/1031232923.db2.gz NBKPVUDOBNAKPT-NEPJUHHUSA-N 1 2 345.409 3.875 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C3CC3)CC2)s1 ZINC000551343089 1031248644 /nfs/dbraw/zinc/24/86/44/1031248644.db2.gz VSHUIHLPOKBLJQ-UHFFFAOYSA-N 1 2 334.529 3.781 20 0 EHADLO c1nnc([C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc2)[nH]1 ZINC000343523335 1031252057 /nfs/dbraw/zinc/25/20/57/1031252057.db2.gz FSZBLJOXRISJIW-IBGZPJMESA-N 1 2 331.423 3.598 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1SCCc2ccccc21 ZINC000175664275 1031325990 /nfs/dbraw/zinc/32/59/90/1031325990.db2.gz BLDQTWSERFFZNA-IBGZPJMESA-N 1 2 349.459 3.519 20 0 EHADLO O=C(c1ccsc1)N1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527851905 1031326740 /nfs/dbraw/zinc/32/67/40/1031326740.db2.gz BQNIHZYNNMOXIA-UHFFFAOYSA-N 1 2 337.448 3.649 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)on1 ZINC000527857647 1031332250 /nfs/dbraw/zinc/33/22/50/1031332250.db2.gz DFQPOMKVTOHYCF-MRVPVSSYSA-N 1 2 331.160 3.875 20 0 EHADLO CCNC(=O)Nc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1C ZINC000278566532 1031399841 /nfs/dbraw/zinc/39/98/41/1031399841.db2.gz DAXHXDMURWYGRT-UHFFFAOYSA-N 1 2 337.427 3.705 20 0 EHADLO Cc1occc1C(=O)NC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527879841 1031409675 /nfs/dbraw/zinc/40/96/75/1031409675.db2.gz KSFXHSWTBCIICY-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1CCC(F)(F)F ZINC000536192111 1031418671 /nfs/dbraw/zinc/41/86/71/1031418671.db2.gz OARUBBHMLGNIGG-UHFFFAOYSA-N 1 2 339.361 3.588 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccoc1 ZINC000102409324 1031419547 /nfs/dbraw/zinc/41/95/47/1031419547.db2.gz BLTFHAUTBCOSDJ-LJQANCHMSA-N 1 2 326.440 3.638 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccoc1 ZINC000102409324 1031419563 /nfs/dbraw/zinc/41/95/63/1031419563.db2.gz BLTFHAUTBCOSDJ-LJQANCHMSA-N 1 2 326.440 3.638 20 0 EHADLO CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176724253 1031451396 /nfs/dbraw/zinc/45/13/96/1031451396.db2.gz ZDCOTJQLHSCBBY-DOTOQJQBSA-N 1 2 329.469 3.666 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)cc4c3OCC4)cn2c1 ZINC000551588008 1031474640 /nfs/dbraw/zinc/47/46/40/1031474640.db2.gz NRRSGFMPBVZBEP-UHFFFAOYSA-N 1 2 327.815 3.521 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000448704826 1031487295 /nfs/dbraw/zinc/48/72/95/1031487295.db2.gz PIKRYXPRDBMWRN-WOJBJXKFSA-N 1 2 349.478 3.751 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726116 1031513054 /nfs/dbraw/zinc/51/30/54/1031513054.db2.gz OXOQCXLJCUYZCB-AWEZNQCLSA-N 1 2 343.393 3.667 20 0 EHADLO CC(C)C[C@H](c1nc([C@@H]2CCOc3ccccc32)no1)n1cc[nH+]c1 ZINC000923886895 1031524777 /nfs/dbraw/zinc/52/47/77/1031524777.db2.gz XMVUQKHBOBTVHB-HZPDHXFCSA-N 1 2 338.411 3.816 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343588046 1031530983 /nfs/dbraw/zinc/53/09/83/1031530983.db2.gz HIJVXYBMODZQPG-UXHICEINSA-N 1 2 331.419 3.938 20 0 EHADLO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000527999624 1031560773 /nfs/dbraw/zinc/56/07/73/1031560773.db2.gz BRICHJVIMDMEJJ-ROUUACIJSA-N 1 2 344.405 3.669 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177763484 1031566455 /nfs/dbraw/zinc/56/64/55/1031566455.db2.gz GUDRECOHESRYLZ-GFCCVEGCSA-N 1 2 344.365 3.515 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(C(F)(F)F)cc1 ZINC000177786532 1031569439 /nfs/dbraw/zinc/56/94/39/1031569439.db2.gz PHEMFPHAHAQKBY-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177790420 1031569472 /nfs/dbraw/zinc/56/94/72/1031569472.db2.gz INJWXXIELLIZQG-GFCCVEGCSA-N 1 2 344.365 3.515 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1cc(F)cc(F)c1 ZINC000084138092 1031580177 /nfs/dbraw/zinc/58/01/77/1031580177.db2.gz CNSUYYVJEURUKV-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1cc(F)cc(F)c1 ZINC000084138092 1031580193 /nfs/dbraw/zinc/58/01/93/1031580193.db2.gz CNSUYYVJEURUKV-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)sc1C ZINC000084137473 1031581582 /nfs/dbraw/zinc/58/15/82/1031581582.db2.gz REEYUNSOJFHNNM-UHFFFAOYSA-N 1 2 349.422 3.617 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)sc1C ZINC000084137473 1031581595 /nfs/dbraw/zinc/58/15/95/1031581595.db2.gz REEYUNSOJFHNNM-UHFFFAOYSA-N 1 2 349.422 3.617 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1c(F)cccc1Cl ZINC000177965991 1031598262 /nfs/dbraw/zinc/59/82/62/1031598262.db2.gz HIDCTELGZXNNLM-LLVKDONJSA-N 1 2 346.793 3.687 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[nH]1 ZINC000177990901 1031602131 /nfs/dbraw/zinc/60/21/31/1031602131.db2.gz UTXOGHNNSUPKJK-UHFFFAOYSA-N 1 2 332.473 3.572 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551720732 1031602425 /nfs/dbraw/zinc/60/24/25/1031602425.db2.gz GNFIKDJOVZRYOK-HZMBPMFUSA-N 1 2 336.233 3.942 20 0 EHADLO CC1(C)CCC[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000477542401 1031651854 /nfs/dbraw/zinc/65/18/54/1031651854.db2.gz OCHXAPYEXYRTPP-UHFFFAOYSA-N 1 2 336.284 3.642 20 0 EHADLO CC1(C)CCC[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000477542401 1031651864 /nfs/dbraw/zinc/65/18/64/1031651864.db2.gz OCHXAPYEXYRTPP-UHFFFAOYSA-N 1 2 336.284 3.642 20 0 EHADLO C[C@@H](CC(=O)NCC(c1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000551806246 1031664720 /nfs/dbraw/zinc/66/47/20/1031664720.db2.gz SSCYNLCPCCBXFS-KRWDZBQOSA-N 1 2 333.435 3.783 20 0 EHADLO Cc1ccc(Br)c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000904074969 1031706261 /nfs/dbraw/zinc/70/62/61/1031706261.db2.gz VATAYGLIVZQCPT-CQSZACIVSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(Br)c(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000904074969 1031706271 /nfs/dbraw/zinc/70/62/71/1031706271.db2.gz VATAYGLIVZQCPT-CQSZACIVSA-N 1 2 325.250 3.569 20 0 EHADLO CC[C@@H](C)[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000343635297 1031722707 /nfs/dbraw/zinc/72/27/07/1031722707.db2.gz SPPHWYFBTNEXLE-QAPCUYQASA-N 1 2 343.471 3.718 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000448834331 1031743811 /nfs/dbraw/zinc/74/38/11/1031743811.db2.gz ISSCCNRXNSROCB-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](CC)Cc2cccc(Br)c2)o1 ZINC000343642761 1031749753 /nfs/dbraw/zinc/74/97/53/1031749753.db2.gz HKCDWLGOKLVCIV-LLVKDONJSA-N 1 2 338.249 3.978 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](CC)Cc2cccc(Br)c2)o1 ZINC000343642761 1031749767 /nfs/dbraw/zinc/74/97/67/1031749767.db2.gz HKCDWLGOKLVCIV-LLVKDONJSA-N 1 2 338.249 3.978 20 0 EHADLO C[N@H+](Cc1cnc2ccccn12)[C@@]1(c2ccccc2)CCCCC1=O ZINC000477662856 1031763718 /nfs/dbraw/zinc/76/37/18/1031763718.db2.gz IACDCEVPCMYSTD-OAQYLSRUSA-N 1 2 333.435 3.805 20 0 EHADLO C[N@@H+](Cc1cnc2ccccn12)[C@@]1(c2ccccc2)CCCCC1=O ZINC000477662856 1031763735 /nfs/dbraw/zinc/76/37/35/1031763735.db2.gz IACDCEVPCMYSTD-OAQYLSRUSA-N 1 2 333.435 3.805 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000117673009 1031791319 /nfs/dbraw/zinc/79/13/19/1031791319.db2.gz PIDHHEGINCPOTJ-GOSISDBHSA-N 1 2 334.423 3.703 20 0 EHADLO CCO[C@@H](c1noc(Cc2cn3cccc(C)c3[nH+]2)n1)C1CCCC1 ZINC000904148144 1031793927 /nfs/dbraw/zinc/79/39/27/1031793927.db2.gz VCFLKGFTSSBGNL-QGZVFWFLSA-N 1 2 340.427 3.884 20 0 EHADLO CC(C)C[C@H](c1nc(Cc2cccc3ccn(C)c32)no1)n1cc[nH+]c1 ZINC000904166495 1031817162 /nfs/dbraw/zinc/81/71/62/1031817162.db2.gz WOENBWLAMKRWPE-QGZVFWFLSA-N 1 2 349.438 3.984 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278662058 1031875285 /nfs/dbraw/zinc/87/52/85/1031875285.db2.gz HUSANLLNHSPOTJ-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278662058 1031875295 /nfs/dbraw/zinc/87/52/95/1031875295.db2.gz HUSANLLNHSPOTJ-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000448889586 1031875909 /nfs/dbraw/zinc/87/59/09/1031875909.db2.gz BGCAGWOWLBLQNN-CQSZACIVSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(Cc2csc(C3CCCC3)n2)n1 ZINC000904264863 1031894006 /nfs/dbraw/zinc/89/40/06/1031894006.db2.gz AWVRHUCGSYJCPJ-UHFFFAOYSA-N 1 2 341.440 3.727 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccc([C@@H]3CCCOC3)cc2)n1 ZINC000904269672 1031899452 /nfs/dbraw/zinc/89/94/52/1031899452.db2.gz PCDHQUZVGQECCA-OAHLLOKOSA-N 1 2 336.395 3.583 20 0 EHADLO CC(C)(C)Oc1c(F)cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000180737681 1031904329 /nfs/dbraw/zinc/90/43/29/1031904329.db2.gz LZBBJYNJYOHPGR-LLVKDONJSA-N 1 2 349.381 3.540 20 0 EHADLO CC[C@H](Cc1nc(-c2ccc(N)[nH+]c2C)no1)c1ccc(OC)cc1 ZINC000904260660 1031905412 /nfs/dbraw/zinc/90/54/12/1031905412.db2.gz SDHKOCWOFCXJRZ-CYBMUJFWSA-N 1 2 338.411 3.767 20 0 EHADLO COc1ccc(C2(c3nc(-c4ccc(N)[nH+]c4C)no3)CCC2)cc1 ZINC000904261171 1031905759 /nfs/dbraw/zinc/90/57/59/1031905759.db2.gz XSEUJQJLIKDPSH-UHFFFAOYSA-N 1 2 336.395 3.501 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2scnc2C2CCCC2)n1 ZINC000904261756 1031907235 /nfs/dbraw/zinc/90/72/35/1031907235.db2.gz MJLCBLUYGGEFQL-UHFFFAOYSA-N 1 2 327.413 3.803 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000484753797 1031932191 /nfs/dbraw/zinc/93/21/91/1031932191.db2.gz YUFMRLURJHDCMM-AATRIKPKSA-N 1 2 349.478 3.957 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181023103 1031937816 /nfs/dbraw/zinc/93/78/16/1031937816.db2.gz RCXWANDDNJVEGF-HNNXBMFYSA-N 1 2 345.874 3.785 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000181031789 1031938105 /nfs/dbraw/zinc/93/81/05/1031938105.db2.gz HQRCHOFVWBDEPY-CYBMUJFWSA-N 1 2 339.443 3.618 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000181372666 1031979100 /nfs/dbraw/zinc/97/91/00/1031979100.db2.gz SRNCWDMPCGAASF-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000181372666 1031979112 /nfs/dbraw/zinc/97/91/12/1031979112.db2.gz SRNCWDMPCGAASF-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCC3(Cc4ccccc4)CCC3)ccn12 ZINC001126989616 1031987511 /nfs/dbraw/zinc/98/75/11/1031987511.db2.gz YLABHQOTXODNNB-UHFFFAOYSA-N 1 2 333.435 3.786 20 0 EHADLO O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117971317 1031987810 /nfs/dbraw/zinc/98/78/10/1031987810.db2.gz XUTDGWGFRXILGK-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO Cc1ccc(CN(C(=O)NCCCNc2cccc[nH+]2)C(C)C)s1 ZINC000171011791 1032010059 /nfs/dbraw/zinc/01/00/59/1032010059.db2.gz PXNWOERMTOPBPH-UHFFFAOYSA-N 1 2 346.500 3.874 20 0 EHADLO CCOc1ccc(O)c(/C=N/Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063427637 1033319601 /nfs/dbraw/zinc/31/96/01/1033319601.db2.gz FXGLHGFSIDPVDT-WSDLNYQXSA-N 1 2 339.370 3.735 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000761059563 1033320397 /nfs/dbraw/zinc/32/03/97/1033320397.db2.gz XFWWUMRHGODBNH-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000761059563 1033320419 /nfs/dbraw/zinc/32/04/19/1033320419.db2.gz XFWWUMRHGODBNH-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO COc1ccc(C2([NH2+]Cc3ncc(C(C)(C)C)o3)CCOCC2)cc1 ZINC000594386641 1033344131 /nfs/dbraw/zinc/34/41/31/1033344131.db2.gz MIJJEHNIERXROX-UHFFFAOYSA-N 1 2 344.455 3.776 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487380 1033369483 /nfs/dbraw/zinc/36/94/83/1033369483.db2.gz CMPBILKFEJKDLD-RYUDHWBXSA-N 1 2 328.551 3.802 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487380 1033369490 /nfs/dbraw/zinc/36/94/90/1033369490.db2.gz CMPBILKFEJKDLD-RYUDHWBXSA-N 1 2 328.551 3.802 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105290576 1033451906 /nfs/dbraw/zinc/45/19/06/1033451906.db2.gz PUFLYISDQLLMEF-GOSISDBHSA-N 1 2 338.455 3.569 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000044206758 1033477108 /nfs/dbraw/zinc/47/71/08/1033477108.db2.gz XXGQBJODFVGJGB-UHFFFAOYSA-N 1 2 336.823 3.536 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000594613247 1033478322 /nfs/dbraw/zinc/47/83/22/1033478322.db2.gz BDPCDFKERRAQFZ-BZSNNMDCSA-N 1 2 330.472 3.503 20 0 EHADLO Cc1noc(C)c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568744 1033516198 /nfs/dbraw/zinc/51/61/98/1033516198.db2.gz CMTOASFTXNAGGW-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO Cc1nc(-c2cccs2)ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000603296795 1033527570 /nfs/dbraw/zinc/52/75/70/1033527570.db2.gz FCPYCUUVQUDALV-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cc(Cl)ccc1F ZINC000106240286 1033559138 /nfs/dbraw/zinc/55/91/38/1033559138.db2.gz FBYPDCPADDXRMC-BDAKNGLRSA-N 1 2 327.812 3.613 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000685580297 1033585717 /nfs/dbraw/zinc/58/57/17/1033585717.db2.gz JCTINWQGXHTXAH-ZDUSSCGKSA-N 1 2 348.752 3.787 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccn2cc[nH+]c2c1 ZINC000685651355 1033680585 /nfs/dbraw/zinc/68/05/85/1033680585.db2.gz SUHCGPSHYKRTIV-WCQYABFASA-N 1 2 340.349 3.825 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC1(C)CCCC1)c1ccccc1 ZINC000608429162 1033681561 /nfs/dbraw/zinc/68/15/61/1033681561.db2.gz QKDKTEHWWGKYEL-KRWDZBQOSA-N 1 2 340.471 3.583 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(C3CCOCC3)c2)c[nH+]1 ZINC000529262806 1033686556 /nfs/dbraw/zinc/68/65/56/1033686556.db2.gz ZUQFSTADAPORHM-UHFFFAOYSA-N 1 2 339.439 3.914 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1C ZINC000608410749 1033697465 /nfs/dbraw/zinc/69/74/65/1033697465.db2.gz RHVAVSXORTZSOO-LJQANCHMSA-N 1 2 340.471 3.827 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(-n2cccc2)c1 ZINC000046106102 1033728261 /nfs/dbraw/zinc/72/82/61/1033728261.db2.gz MTAUIEZJOMUEIR-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)[C@@H](C)CO1 ZINC000608498596 1033730601 /nfs/dbraw/zinc/73/06/01/1033730601.db2.gz ACDWWTZRSNHZKG-FIKGOQFSSA-N 1 2 339.435 3.597 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)[C@@H](C)CO1 ZINC000608498596 1033730619 /nfs/dbraw/zinc/73/06/19/1033730619.db2.gz ACDWWTZRSNHZKG-FIKGOQFSSA-N 1 2 339.435 3.597 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000132303079 1033760641 /nfs/dbraw/zinc/76/06/41/1033760641.db2.gz NCNZMXLLSVWAAP-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@H](C)[S@]1=O ZINC000348543344 1033849065 /nfs/dbraw/zinc/84/90/65/1033849065.db2.gz GKCQVDOGIZOVBV-OWOHRZCZSA-N 1 2 345.455 3.636 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@H](C)[S@]1=O ZINC000348543344 1033849073 /nfs/dbraw/zinc/84/90/73/1033849073.db2.gz GKCQVDOGIZOVBV-OWOHRZCZSA-N 1 2 345.455 3.636 20 0 EHADLO Cc1cccc(C)c1OCCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608750165 1033862091 /nfs/dbraw/zinc/86/20/91/1033862091.db2.gz MKAZOBQQEYZSTB-LSDHHAIUSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cccc(C)c1OCCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608750165 1033862097 /nfs/dbraw/zinc/86/20/97/1033862097.db2.gz MKAZOBQQEYZSTB-LSDHHAIUSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)sc1Cc1ccccc1F ZINC000599315257 1033868883 /nfs/dbraw/zinc/86/88/83/1033868883.db2.gz MNWSBPBZUDYDHB-HNNXBMFYSA-N 1 2 347.459 3.604 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)sc1Cc1ccccc1F ZINC000599315257 1033868888 /nfs/dbraw/zinc/86/88/88/1033868888.db2.gz MNWSBPBZUDYDHB-HNNXBMFYSA-N 1 2 347.459 3.604 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000608761138 1033873947 /nfs/dbraw/zinc/87/39/47/1033873947.db2.gz PAZNUYCDYWMKOS-MRXNPFEDSA-N 1 2 331.419 3.913 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ncccc1Cl)c1ccccc1 ZINC000599360480 1033901727 /nfs/dbraw/zinc/90/17/27/1033901727.db2.gz BALBEAYHROLZHH-MRXNPFEDSA-N 1 2 332.831 3.908 20 0 EHADLO FC(F)(F)[C@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000450212852 1033905908 /nfs/dbraw/zinc/90/59/08/1033905908.db2.gz DLMORJLHBRWDEJ-INIZCTEOSA-N 1 2 337.389 3.900 20 0 EHADLO FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000450212852 1033905919 /nfs/dbraw/zinc/90/59/19/1033905919.db2.gz DLMORJLHBRWDEJ-INIZCTEOSA-N 1 2 337.389 3.900 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000599432707 1033935719 /nfs/dbraw/zinc/93/57/19/1033935719.db2.gz AKAJKOOMAIUZTA-KRWDZBQOSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000599432707 1033935738 /nfs/dbraw/zinc/93/57/38/1033935738.db2.gz AKAJKOOMAIUZTA-KRWDZBQOSA-N 1 2 345.830 3.644 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCC12CCCCC2 ZINC000533985660 1033937034 /nfs/dbraw/zinc/93/70/34/1033937034.db2.gz XAQOCORKENGESF-UHFFFAOYSA-N 1 2 338.455 3.881 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCC12CC2 ZINC000529428000 1033954732 /nfs/dbraw/zinc/95/47/32/1033954732.db2.gz SEJROYUSUCJJBT-AWEZNQCLSA-N 1 2 329.831 3.722 20 0 EHADLO O=C(NC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1)C1CC1 ZINC000450239013 1033961847 /nfs/dbraw/zinc/96/18/47/1033961847.db2.gz CJYKDGKZPJQKGW-UHFFFAOYSA-N 1 2 347.821 3.522 20 0 EHADLO COc1ccc(CCC2CC[NH+]([C@H](C)c3csnn3)CC2)cc1 ZINC000450252405 1033969809 /nfs/dbraw/zinc/96/98/09/1033969809.db2.gz YUZZQBNRWFMJDW-CQSZACIVSA-N 1 2 331.485 3.953 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000595775161 1033994005 /nfs/dbraw/zinc/99/40/05/1033994005.db2.gz MZMDOIRQYYSZHO-XHDPSFHLSA-N 1 2 335.341 3.690 20 0 EHADLO CC(C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Nc1ccccc1 ZINC000117970193 1033995954 /nfs/dbraw/zinc/99/59/54/1033995954.db2.gz HAHWSYLQEJMZQU-FQEVSTJZSA-N 1 2 348.450 3.739 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000603883653 1034006979 /nfs/dbraw/zinc/00/69/79/1034006979.db2.gz ILNWKMRRNVJSQO-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000603883954 1034007131 /nfs/dbraw/zinc/00/71/31/1034007131.db2.gz MIHCDHNDQRWEGC-UHFFFAOYSA-N 1 2 331.322 3.507 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000603884411 1034010468 /nfs/dbraw/zinc/01/04/68/1034010468.db2.gz XPTPRTDSIPNFMV-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO CC(C)CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000074869514 1034047335 /nfs/dbraw/zinc/04/73/35/1034047335.db2.gz SXISUQYFSQXDHI-SFHVURJKSA-N 1 2 342.487 3.780 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC)cc1 ZINC000015296247 1034063742 /nfs/dbraw/zinc/06/37/42/1034063742.db2.gz WOQVGALZRMIDMM-HNNXBMFYSA-N 1 2 326.440 3.717 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000015296247 1034063759 /nfs/dbraw/zinc/06/37/59/1034063759.db2.gz WOQVGALZRMIDMM-HNNXBMFYSA-N 1 2 326.440 3.717 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870068 1034068316 /nfs/dbraw/zinc/06/83/16/1034068316.db2.gz URZDBHGYINYSQA-MRXNPFEDSA-N 1 2 328.460 3.582 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000421746013 1034083271 /nfs/dbraw/zinc/08/32/71/1034083271.db2.gz ZWUXIUOAJXKCKY-DOMZBBRYSA-N 1 2 336.838 3.532 20 0 EHADLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120725836 1034084956 /nfs/dbraw/zinc/08/49/56/1034084956.db2.gz BPUKXGWPGIEEEW-RDTXWAMCSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120725836 1034084968 /nfs/dbraw/zinc/08/49/68/1034084968.db2.gz BPUKXGWPGIEEEW-RDTXWAMCSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1F ZINC000658227575 1034087108 /nfs/dbraw/zinc/08/71/08/1034087108.db2.gz IGJYNWYVFZPLGT-MRXNPFEDSA-N 1 2 342.414 3.722 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cc2ccccc2o1 ZINC000120747525 1034093458 /nfs/dbraw/zinc/09/34/58/1034093458.db2.gz WIAXKAFDONGGSI-YOEHRIQHSA-N 1 2 336.391 3.611 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596158841 1034111301 /nfs/dbraw/zinc/11/13/01/1034111301.db2.gz BLPFWNMAAGMXEW-AWEZNQCLSA-N 1 2 341.455 3.765 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2csc(Br)c2)[C@@H](C)C1 ZINC000599712835 1034119954 /nfs/dbraw/zinc/11/99/54/1034119954.db2.gz XNDZUXOYSDSZPW-UWVGGRQHSA-N 1 2 346.290 3.673 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000599706311 1034131825 /nfs/dbraw/zinc/13/18/25/1034131825.db2.gz LAFJCDINTBGQGL-RYUDHWBXSA-N 1 2 334.441 3.565 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)[C@H](C)CO ZINC000450350360 1034161953 /nfs/dbraw/zinc/16/19/53/1034161953.db2.gz QHTZDPAWEYUBGB-RKDXNWHRSA-N 1 2 327.197 3.565 20 0 EHADLO Cc1cccc(-c2noc(C[NH+]3CCC(Nc4ccccn4)CC3)n2)c1 ZINC000534126374 1034167341 /nfs/dbraw/zinc/16/73/41/1034167341.db2.gz HRELQRYOMNOYDE-UHFFFAOYSA-N 1 2 349.438 3.517 20 0 EHADLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120835328 1034181394 /nfs/dbraw/zinc/18/13/94/1034181394.db2.gz NKACLLWBPKTVES-LSDHHAIUSA-N 1 2 329.469 3.564 20 0 EHADLO COCCOC[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450358615 1034194350 /nfs/dbraw/zinc/19/43/50/1034194350.db2.gz BOHGIBJPCYYIEX-GFCCVEGCSA-N 1 2 338.810 3.517 20 0 EHADLO Clc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1-c1ccccc1 ZINC000529558522 1034198079 /nfs/dbraw/zinc/19/80/79/1034198079.db2.gz UASNTQHRMYKNHP-CALCHBBNSA-N 1 2 329.827 3.607 20 0 EHADLO Clc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1-c1ccccc1 ZINC000529558522 1034198090 /nfs/dbraw/zinc/19/80/90/1034198090.db2.gz UASNTQHRMYKNHP-CALCHBBNSA-N 1 2 329.827 3.607 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119685951 1034226677 /nfs/dbraw/zinc/22/66/77/1034226677.db2.gz GDZBQUFPNKBHNW-QGZVFWFLSA-N 1 2 330.472 3.747 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119685951 1034226691 /nfs/dbraw/zinc/22/66/91/1034226691.db2.gz GDZBQUFPNKBHNW-QGZVFWFLSA-N 1 2 330.472 3.747 20 0 EHADLO COC(=O)c1csc(C[NH+]2CCC(c3ccccc3C)CC2)n1 ZINC000450394500 1034234688 /nfs/dbraw/zinc/23/46/88/1034234688.db2.gz XIVPEAWCPPTITH-UHFFFAOYSA-N 1 2 330.453 3.618 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000119751916 1034238070 /nfs/dbraw/zinc/23/80/70/1034238070.db2.gz OKNGMFPYEPSAHT-MSOLQXFVSA-N 1 2 329.488 3.797 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccccn1 ZINC000119781922 1034243086 /nfs/dbraw/zinc/24/30/86/1034243086.db2.gz BHCPWCHVBALJJD-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccccn1 ZINC000119781922 1034243098 /nfs/dbraw/zinc/24/30/98/1034243098.db2.gz BHCPWCHVBALJJD-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000450404614 1034279493 /nfs/dbraw/zinc/27/94/93/1034279493.db2.gz CMMKLDKDZQLVLR-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO CC(=O)c1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000450404614 1034279499 /nfs/dbraw/zinc/27/94/99/1034279499.db2.gz CMMKLDKDZQLVLR-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000604257828 1034308082 /nfs/dbraw/zinc/30/80/82/1034308082.db2.gz OFMASRRKYSIEDN-WMZOPIPTSA-N 1 2 333.435 3.590 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000450436544 1034326048 /nfs/dbraw/zinc/32/60/48/1034326048.db2.gz JEVXQZXSSKELNG-MRXNPFEDSA-N 1 2 328.485 3.819 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000450436544 1034326056 /nfs/dbraw/zinc/32/60/56/1034326056.db2.gz JEVXQZXSSKELNG-MRXNPFEDSA-N 1 2 328.485 3.819 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685710822 1034337579 /nfs/dbraw/zinc/33/75/79/1034337579.db2.gz CKDFWXZRUOKXKY-OALUTQOASA-N 1 2 339.483 3.805 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccc2ncsc2c1)n1cc[nH+]c1 ZINC000635828791 1034375362 /nfs/dbraw/zinc/37/53/62/1034375362.db2.gz OROQNFWSIPXRBW-BBRMVZONSA-N 1 2 342.468 3.957 20 0 EHADLO CC(C)CNC(=O)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000761197618 1034387205 /nfs/dbraw/zinc/38/72/05/1034387205.db2.gz JVTADHTULABZFC-UHFFFAOYSA-N 1 2 346.519 3.712 20 0 EHADLO Brc1ccc2nc(NCCCCn3cc[nH+]c3)ccc2c1 ZINC000538706668 1034393816 /nfs/dbraw/zinc/39/38/16/1034393816.db2.gz PVWOWBQNPPRBMO-UHFFFAOYSA-N 1 2 345.244 3.508 20 0 EHADLO COc1ccccc1[C@H](O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000761196322 1034399393 /nfs/dbraw/zinc/39/93/93/1034399393.db2.gz AQGICGCTVMVFAF-MRXNPFEDSA-N 1 2 329.444 3.878 20 0 EHADLO CCCCc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000046617655 1034420532 /nfs/dbraw/zinc/42/05/32/1034420532.db2.gz RMCNNRKFQHWTQC-UHFFFAOYSA-N 1 2 337.467 3.823 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cn(CC3CC3)nn2)c2ccccc2)cc1 ZINC000450506452 1034440140 /nfs/dbraw/zinc/44/01/40/1034440140.db2.gz KCYMSRSWTOJHFO-OAQYLSRUSA-N 1 2 332.451 3.876 20 0 EHADLO CC(C)[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000534394959 1034470435 /nfs/dbraw/zinc/47/04/35/1034470435.db2.gz NVMQJOWFRNYNDJ-GOSISDBHSA-N 1 2 329.419 3.579 20 0 EHADLO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCC1 ZINC000597027061 1034502126 /nfs/dbraw/zinc/50/21/26/1034502126.db2.gz MEJFIRYTXUNNJT-UHFFFAOYSA-N 1 2 341.411 3.527 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@@H]1C ZINC000450538183 1034514008 /nfs/dbraw/zinc/51/40/08/1034514008.db2.gz FKJPQSJBODLBAG-AOIWGVFYSA-N 1 2 331.504 3.974 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)c(F)c1 ZINC000171613959 1034517378 /nfs/dbraw/zinc/51/73/78/1034517378.db2.gz GOTRGTGOTYDKSO-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)c(F)c1 ZINC000171613959 1034517389 /nfs/dbraw/zinc/51/73/89/1034517389.db2.gz GOTRGTGOTYDKSO-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C ZINC000604847605 1034524195 /nfs/dbraw/zinc/52/41/95/1034524195.db2.gz SNMOMYUNWBTASL-INIZCTEOSA-N 1 2 332.488 3.920 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@](C)(COC)C1 ZINC000450605540 1034559098 /nfs/dbraw/zinc/55/90/98/1034559098.db2.gz PQRLUMVOAHIUND-HXUWFJFHSA-N 1 2 342.439 3.583 20 0 EHADLO CCc1cc(CCCN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)on1 ZINC000450606972 1034559227 /nfs/dbraw/zinc/55/92/27/1034559227.db2.gz AUFDSWCRZLHCAR-MRXNPFEDSA-N 1 2 345.462 3.688 20 0 EHADLO CC(C)[N@H+](Cc1ccn(CCc2ccccc2)n1)Cc1cccnc1 ZINC000450626122 1034578854 /nfs/dbraw/zinc/57/88/54/1034578854.db2.gz GBJRZVFRBKOEEN-UHFFFAOYSA-N 1 2 334.467 3.931 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(CCc2ccccc2)n1)Cc1cccnc1 ZINC000450626122 1034578861 /nfs/dbraw/zinc/57/88/61/1034578861.db2.gz GBJRZVFRBKOEEN-UHFFFAOYSA-N 1 2 334.467 3.931 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCc3sccc3C2)C1=O ZINC000604997171 1034583907 /nfs/dbraw/zinc/58/39/07/1034583907.db2.gz VTJZUPJMJURISL-KRWDZBQOSA-N 1 2 344.455 3.749 20 0 EHADLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCc3sccc3C2)C1=O ZINC000604997171 1034583912 /nfs/dbraw/zinc/58/39/12/1034583912.db2.gz VTJZUPJMJURISL-KRWDZBQOSA-N 1 2 344.455 3.749 20 0 EHADLO CCn1c[nH+]cc1CN1CC[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597209083 1034593833 /nfs/dbraw/zinc/59/38/33/1034593833.db2.gz JJFLWBRANUMLLD-QGZVFWFLSA-N 1 2 341.455 3.739 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(C=Cc3ccccc3)n2)c1 ZINC000534519789 1034624854 /nfs/dbraw/zinc/62/48/54/1034624854.db2.gz DAMZMNVXLQMABQ-CMDGGOBGSA-N 1 2 338.436 3.979 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154766 1034651784 /nfs/dbraw/zinc/65/17/84/1034651784.db2.gz ABBADFFSZRKZCO-PBHICJAKSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154766 1034651795 /nfs/dbraw/zinc/65/17/95/1034651795.db2.gz ABBADFFSZRKZCO-PBHICJAKSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)c1csnn1 ZINC000450667782 1034667911 /nfs/dbraw/zinc/66/79/11/1034667911.db2.gz XFQYYYXTAYAZCB-UONOGXRCSA-N 1 2 340.452 3.924 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450679519 1034678123 /nfs/dbraw/zinc/67/81/23/1034678123.db2.gz JUTHFIDRVWQHIM-SFHVURJKSA-N 1 2 328.460 3.574 20 0 EHADLO CC[C@@H](C)[C@@H]([NH2+]Cc1nc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000450680021 1034678361 /nfs/dbraw/zinc/67/83/61/1034678361.db2.gz LENCTGOXRMPMDO-BDJLRTHQSA-N 1 2 336.819 3.992 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177146505 1034690226 /nfs/dbraw/zinc/69/02/26/1034690226.db2.gz UCFMOLORCKGEQE-AWEZNQCLSA-N 1 2 348.493 3.789 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177146505 1034690229 /nfs/dbraw/zinc/69/02/29/1034690229.db2.gz UCFMOLORCKGEQE-AWEZNQCLSA-N 1 2 348.493 3.789 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000628247519 1034699958 /nfs/dbraw/zinc/69/99/58/1034699958.db2.gz FLFQXCAAPOUTKW-SECBINFHSA-N 1 2 325.206 3.605 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450674994 1034701163 /nfs/dbraw/zinc/70/11/63/1034701163.db2.gz CQPXRKSUWVVQRB-IBGZPJMESA-N 1 2 342.487 3.964 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCCCCCC2)c1C ZINC000060529944 1034708787 /nfs/dbraw/zinc/70/87/87/1034708787.db2.gz SURXJORTRBLGEB-UHFFFAOYSA-N 1 2 333.476 3.961 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1c(C)noc1C ZINC000450723751 1034710638 /nfs/dbraw/zinc/71/06/38/1034710638.db2.gz KBCXROLUVLAISA-IBGZPJMESA-N 1 2 338.455 3.972 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(C)ccc2F)nc1C ZINC000450741199 1034747559 /nfs/dbraw/zinc/74/75/59/1034747559.db2.gz WLFLHXGHRXQXJX-LBPRGKRZSA-N 1 2 336.432 3.927 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000728611470 1034759803 /nfs/dbraw/zinc/75/98/03/1034759803.db2.gz HZBVHSFGYARIIO-MAUKXSAKSA-N 1 2 343.471 3.616 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000605543144 1034770487 /nfs/dbraw/zinc/77/04/87/1034770487.db2.gz LXGWRYFBUMBLTB-UHFFFAOYSA-N 1 2 343.430 3.885 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000612317810 1034770596 /nfs/dbraw/zinc/77/05/96/1034770596.db2.gz FNEJCUADPLZKNT-CKEIUWERSA-N 1 2 347.409 3.705 20 0 EHADLO C[N@H+](Cc1csc(COc2ccc(Cl)cc2)n1)C(C)(C)CO ZINC000605575156 1034790418 /nfs/dbraw/zinc/79/04/18/1034790418.db2.gz XBFLPORREQNWNY-UHFFFAOYSA-N 1 2 340.876 3.578 20 0 EHADLO C[N@@H+](Cc1csc(COc2ccc(Cl)cc2)n1)C(C)(C)CO ZINC000605575156 1034790431 /nfs/dbraw/zinc/79/04/31/1034790431.db2.gz XBFLPORREQNWNY-UHFFFAOYSA-N 1 2 340.876 3.578 20 0 EHADLO CC(C)(C)n1ncnc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000548918798 1034794033 /nfs/dbraw/zinc/79/40/33/1034794033.db2.gz YULVCHHLGHWPGF-UHFFFAOYSA-N 1 2 334.508 3.594 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2cccc(Br)c2)c[nH+]1 ZINC000456862581 1034796817 /nfs/dbraw/zinc/79/68/17/1034796817.db2.gz PVEHKPMOBAJYLP-UHFFFAOYSA-N 1 2 347.256 3.710 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529943021 1034805142 /nfs/dbraw/zinc/80/51/42/1034805142.db2.gz KALJDQLMFWRWFC-GUYCJALGSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529943021 1034805149 /nfs/dbraw/zinc/80/51/49/1034805149.db2.gz KALJDQLMFWRWFC-GUYCJALGSA-N 1 2 329.419 3.522 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c[nH+]1 ZINC000456856110 1034812009 /nfs/dbraw/zinc/81/20/09/1034812009.db2.gz IYXVUSNADNMWCB-UHFFFAOYSA-N 1 2 328.460 3.703 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000612349307 1034823677 /nfs/dbraw/zinc/82/36/77/1034823677.db2.gz CLLGVCQCDXMHTB-QLIIJSOBSA-N 1 2 337.467 3.713 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000375927820 1034947341 /nfs/dbraw/zinc/94/73/41/1034947341.db2.gz OBRQXYCYWNQOOP-UHFFFAOYSA-N 1 2 347.532 3.993 20 0 EHADLO CCC(CC)C[N@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530095262 1034956295 /nfs/dbraw/zinc/95/62/95/1034956295.db2.gz MHZFTRUGWIFZIQ-UHFFFAOYSA-N 1 2 349.425 3.904 20 0 EHADLO CCC(CC)C[N@@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530095262 1034956307 /nfs/dbraw/zinc/95/63/07/1034956307.db2.gz MHZFTRUGWIFZIQ-UHFFFAOYSA-N 1 2 349.425 3.904 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@@H]1c1cccs1)C2=O ZINC000530097792 1034958728 /nfs/dbraw/zinc/95/87/28/1034958728.db2.gz YGSPSZCDUWTNFF-OAHLLOKOSA-N 1 2 328.437 3.507 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@@H]1c1cccs1)C2=O ZINC000530097792 1034958734 /nfs/dbraw/zinc/95/87/34/1034958734.db2.gz YGSPSZCDUWTNFF-OAHLLOKOSA-N 1 2 328.437 3.507 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000530097346 1034958803 /nfs/dbraw/zinc/95/88/03/1034958803.db2.gz WOFLMGLQEPFJPA-GFCCVEGCSA-N 1 2 335.398 3.512 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O)C(C)(C)C ZINC000530097346 1034958807 /nfs/dbraw/zinc/95/88/07/1034958807.db2.gz WOFLMGLQEPFJPA-GFCCVEGCSA-N 1 2 335.398 3.512 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000375948798 1034994427 /nfs/dbraw/zinc/99/44/27/1034994427.db2.gz QCBCRLWASQXRCO-CQSZACIVSA-N 1 2 345.874 3.757 20 0 EHADLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)CCC3CCCC3)c2C1 ZINC000450993990 1035004159 /nfs/dbraw/zinc/00/41/59/1035004159.db2.gz QUJSZSGRPSTVRS-UHFFFAOYSA-N 1 2 336.501 3.733 20 0 EHADLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)CCC3CCCC3)c2C1 ZINC000450993990 1035004168 /nfs/dbraw/zinc/00/41/68/1035004168.db2.gz QUJSZSGRPSTVRS-UHFFFAOYSA-N 1 2 336.501 3.733 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977864 1035009680 /nfs/dbraw/zinc/00/96/80/1035009680.db2.gz KDWCYJVTMLDISJ-HNAYVOBHSA-N 1 2 340.471 3.670 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450977864 1035009688 /nfs/dbraw/zinc/00/96/88/1035009688.db2.gz KDWCYJVTMLDISJ-HNAYVOBHSA-N 1 2 340.471 3.670 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(F)cc2cccnc21 ZINC000159801362 1035019511 /nfs/dbraw/zinc/01/95/11/1035019511.db2.gz HHQLYCYDIXNFMS-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO OCCC[N@H+](Cc1csc(C(F)(F)F)c1)Cc1ccccn1 ZINC000628279500 1035066513 /nfs/dbraw/zinc/06/65/13/1035066513.db2.gz MVNCYXGLDUERLP-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO OCCC[N@@H+](Cc1csc(C(F)(F)F)c1)Cc1ccccn1 ZINC000628279500 1035066520 /nfs/dbraw/zinc/06/65/20/1035066520.db2.gz MVNCYXGLDUERLP-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO Cc1nonc1[C@H](C)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000924550572 1035085825 /nfs/dbraw/zinc/08/58/25/1035085825.db2.gz GUGLUXGXZVXKPF-LRDDRELGSA-N 1 2 334.851 3.519 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)cs2)cc1 ZINC000291243411 1035228245 /nfs/dbraw/zinc/22/82/45/1035228245.db2.gz LIGCPKMFLLOBGO-AWEZNQCLSA-N 1 2 338.423 3.568 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)cs2)cc1 ZINC000291243411 1035228249 /nfs/dbraw/zinc/22/82/49/1035228249.db2.gz LIGCPKMFLLOBGO-AWEZNQCLSA-N 1 2 338.423 3.568 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413994236 1035338642 /nfs/dbraw/zinc/33/86/42/1035338642.db2.gz RRVZOWKETPDWFF-DLBZAZTESA-N 1 2 335.451 3.626 20 0 EHADLO Cc1ccc(OCCCC(=O)OCc2cc[nH+]c(N(C)C)c2)c(C)c1 ZINC000755888081 1035390332 /nfs/dbraw/zinc/39/03/32/1035390332.db2.gz RGASMELOHMJZLG-UHFFFAOYSA-N 1 2 342.439 3.667 20 0 EHADLO CC(C)C[N@H+](Cn1nc(COc2ccccc2)n(C)c1=S)C1CC1 ZINC000177936866 1035456109 /nfs/dbraw/zinc/45/61/09/1035456109.db2.gz MUHBEJYQNXNGEM-UHFFFAOYSA-N 1 2 346.500 3.608 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(COc2ccccc2)n(C)c1=S)C1CC1 ZINC000177936866 1035456113 /nfs/dbraw/zinc/45/61/13/1035456113.db2.gz MUHBEJYQNXNGEM-UHFFFAOYSA-N 1 2 346.500 3.608 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1nc(C(C)(C)C)no1 ZINC000549008162 1035467436 /nfs/dbraw/zinc/46/74/36/1035467436.db2.gz PGGVHQBMNJLOLY-NSHDSACASA-N 1 2 345.472 3.680 20 0 EHADLO COc1ccc([C@H](C)[C@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000571447591 1035497424 /nfs/dbraw/zinc/49/74/24/1035497424.db2.gz FPBNGNHDXSEHMO-CVEARBPZSA-N 1 2 336.439 3.939 20 0 EHADLO O=C(/C=C/C1CCOCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492246940 1035523992 /nfs/dbraw/zinc/52/39/92/1035523992.db2.gz FLQXPTUMKYTWEN-BQYQJAHWSA-N 1 2 349.434 3.523 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(Br)c(F)c1 ZINC000492258408 1035533125 /nfs/dbraw/zinc/53/31/25/1035533125.db2.gz MPBUUJPKPMHEQO-LBPRGKRZSA-N 1 2 348.599 3.658 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cnn(CC(C)C)c1 ZINC000463528639 1035585370 /nfs/dbraw/zinc/58/53/70/1035585370.db2.gz QXMKNTKQLMVQMW-UHFFFAOYSA-N 1 2 331.851 3.596 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164971 1035593787 /nfs/dbraw/zinc/59/37/87/1035593787.db2.gz XHJBXEUZXGISJC-ZDUSSCGKSA-N 1 2 341.842 3.609 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164971 1035593796 /nfs/dbraw/zinc/59/37/96/1035593796.db2.gz XHJBXEUZXGISJC-ZDUSSCGKSA-N 1 2 341.842 3.609 20 0 EHADLO CSc1ccc(CCCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000570846524 1035611156 /nfs/dbraw/zinc/61/11/56/1035611156.db2.gz CUECIDUFPKDTAZ-UHFFFAOYSA-N 1 2 339.464 3.695 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000669233114 1035618288 /nfs/dbraw/zinc/61/82/88/1035618288.db2.gz CMKFPWQIYFVANY-QRLLODHJSA-N 1 2 343.858 3.691 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000507186672 1035623844 /nfs/dbraw/zinc/62/38/44/1035623844.db2.gz GIXFZJITTDREIC-UHFFFAOYSA-N 1 2 346.368 3.581 20 0 EHADLO O=C(/C=C\c1ccc2[nH]ccc2c1)NCCCCNc1cccc[nH+]1 ZINC000492323853 1035646272 /nfs/dbraw/zinc/64/62/72/1035646272.db2.gz WACDKAUVEPKXKA-CLFYSBASSA-N 1 2 334.423 3.585 20 0 EHADLO CCc1cnccc1[C@@H](C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492339295 1035662592 /nfs/dbraw/zinc/66/25/92/1035662592.db2.gz CCOKVFXUTHVMDI-YXMGTMDOSA-N 1 2 346.434 3.720 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC4(CCC4)CC3)cn2c1 ZINC000588022467 1035685531 /nfs/dbraw/zinc/68/55/31/1035685531.db2.gz NBLUGIPWMPLRDL-UHFFFAOYSA-N 1 2 343.496 3.669 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457081650 1035695267 /nfs/dbraw/zinc/69/52/67/1035695267.db2.gz MRIXLBZIIXMTTR-LBPRGKRZSA-N 1 2 343.377 3.809 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2ccccc2NCCc2ccccc2)C1 ZINC000613397716 1035730458 /nfs/dbraw/zinc/73/04/58/1035730458.db2.gz HCAAOIDPJPJFPQ-UHFFFAOYSA-N 1 2 337.467 3.622 20 0 EHADLO CC(C)CCn1nc(C[NH2+][C@@H](C)c2ccn(C)n2)c2ccccc21 ZINC000414141795 1035733970 /nfs/dbraw/zinc/73/39/70/1035733970.db2.gz HQKFNJAIGVLLTI-HNNXBMFYSA-N 1 2 325.460 3.667 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ccccc2OC(F)F)c(C)[nH+]1 ZINC000187141312 1035767498 /nfs/dbraw/zinc/76/74/98/1035767498.db2.gz JHHAMXBBOQUOBS-QFIPXVFZSA-N 1 2 325.380 3.749 20 0 EHADLO CCO[C@H](C)c1nc(C[S@@](=O)Cc2ccc(C)[nH+]c2C)cs1 ZINC000187159684 1035775486 /nfs/dbraw/zinc/77/54/86/1035775486.db2.gz RXQMLVKECUIIGZ-DMZKTXOQSA-N 1 2 338.498 3.701 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC1(C2CCC2)CCC1 ZINC000457167776 1035782465 /nfs/dbraw/zinc/78/24/65/1035782465.db2.gz XHTQHLKIZWRWLJ-UHFFFAOYSA-N 1 2 347.409 3.710 20 0 EHADLO Cc1nnsc1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000291643341 1035802193 /nfs/dbraw/zinc/80/21/93/1035802193.db2.gz BULGQHQJQCXEKD-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)nc21 ZINC000376279240 1035820809 /nfs/dbraw/zinc/82/08/09/1035820809.db2.gz QQSZJWZKGMKNDC-SNVBAGLBSA-N 1 2 346.843 3.656 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)s1 ZINC000540942171 1035827687 /nfs/dbraw/zinc/82/76/87/1035827687.db2.gz SROIZFRKHODCTH-UHFFFAOYSA-N 1 2 343.427 3.854 20 0 EHADLO COCCC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000187491373 1035832209 /nfs/dbraw/zinc/83/22/09/1035832209.db2.gz CXPSANRMKJUILC-UHFFFAOYSA-N 1 2 341.455 3.589 20 0 EHADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc2cc(F)ccc2c1Cl ZINC001272493672 1035855604 /nfs/dbraw/zinc/85/56/04/1035855604.db2.gz KNTIVGWGKWAQFX-PHIMTYICSA-N 1 2 338.835 3.612 20 0 EHADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc2cc(F)ccc2c1Cl ZINC001272493672 1035855620 /nfs/dbraw/zinc/85/56/20/1035855620.db2.gz KNTIVGWGKWAQFX-PHIMTYICSA-N 1 2 338.835 3.612 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000534996878 1035865063 /nfs/dbraw/zinc/86/50/63/1035865063.db2.gz XJXDISCLINXCRS-LBPRGKRZSA-N 1 2 326.625 3.603 20 0 EHADLO CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000586283972 1035887897 /nfs/dbraw/zinc/88/78/97/1035887897.db2.gz CCNZMXGSDOTVSV-SFHVURJKSA-N 1 2 344.503 3.840 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000669272913 1035889490 /nfs/dbraw/zinc/88/94/90/1035889490.db2.gz IQWNKGBLNXYXTM-PKOBYXMFSA-N 1 2 325.456 3.739 20 0 EHADLO O=C(/C=C/c1cccc(F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492492124 1035894842 /nfs/dbraw/zinc/89/48/42/1035894842.db2.gz LGWNFPCBIYQFMK-VOTSOKGWSA-N 1 2 341.430 3.754 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC(C)(C)C2CC2)C[C@H](C)O1 ZINC000535039611 1035919773 /nfs/dbraw/zinc/91/97/73/1035919773.db2.gz DNPRHZCOUGDLDZ-GASCZTMLSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC(C)(C)C2CC2)C[C@H](C)O1 ZINC000535039611 1035919783 /nfs/dbraw/zinc/91/97/83/1035919783.db2.gz DNPRHZCOUGDLDZ-GASCZTMLSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000541055579 1035932440 /nfs/dbraw/zinc/93/24/40/1035932440.db2.gz URWMWWGPELNRSE-MRXNPFEDSA-N 1 2 343.814 3.522 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccoc2)c2ccccc2)c1 ZINC000174630503 1035939785 /nfs/dbraw/zinc/93/97/85/1035939785.db2.gz FDQXUYACXASNCS-IBGZPJMESA-N 1 2 341.432 3.562 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000613474407 1035992032 /nfs/dbraw/zinc/99/20/32/1035992032.db2.gz RMJXJGCSNYHUGW-OAHLLOKOSA-N 1 2 329.271 3.999 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000613474407 1035992048 /nfs/dbraw/zinc/99/20/48/1035992048.db2.gz RMJXJGCSNYHUGW-OAHLLOKOSA-N 1 2 329.271 3.999 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000572162799 1035994097 /nfs/dbraw/zinc/99/40/97/1035994097.db2.gz JBFXRJRZDXGNJQ-HLLBOEOZSA-N 1 2 343.858 3.551 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000572132888 1036010862 /nfs/dbraw/zinc/01/08/62/1036010862.db2.gz QMQXDEWMRWANAE-BEFAXECRSA-N 1 2 341.455 3.741 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000572132888 1036010895 /nfs/dbraw/zinc/01/08/95/1036010895.db2.gz QMQXDEWMRWANAE-BEFAXECRSA-N 1 2 341.455 3.741 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000613482742 1036032074 /nfs/dbraw/zinc/03/20/74/1036032074.db2.gz GCWZDPYIVOZRNN-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000613482742 1036032105 /nfs/dbraw/zinc/03/21/05/1036032105.db2.gz GCWZDPYIVOZRNN-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO COC[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000572291568 1036057736 /nfs/dbraw/zinc/05/77/36/1036057736.db2.gz RMPQWOUOILQWAZ-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO CC(C)c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc(=O)[nH]1 ZINC000572212059 1036043164 /nfs/dbraw/zinc/04/31/64/1036043164.db2.gz RICNOPNJJZXZFI-UHFFFAOYSA-N 1 2 347.378 3.813 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)s1 ZINC000572221382 1036045280 /nfs/dbraw/zinc/04/52/80/1036045280.db2.gz OBWGCXUVIPNAMY-INIZCTEOSA-N 1 2 344.871 3.969 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164240 1036051262 /nfs/dbraw/zinc/05/12/62/1036051262.db2.gz JHDCIGJNMIMVKT-RHSMWYFYSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164240 1036051283 /nfs/dbraw/zinc/05/12/83/1036051283.db2.gz JHDCIGJNMIMVKT-RHSMWYFYSA-N 1 2 342.405 3.792 20 0 EHADLO COC[C@]1(C)CC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000572291568 1036057716 /nfs/dbraw/zinc/05/77/16/1036057716.db2.gz RMPQWOUOILQWAZ-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO CCOc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000492625427 1036074938 /nfs/dbraw/zinc/07/49/38/1036074938.db2.gz WGIGFDDMCMAKKT-ALCCZGGFSA-N 1 2 339.439 3.536 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000492614125 1036081903 /nfs/dbraw/zinc/08/19/03/1036081903.db2.gz FDQRFKQDFVWWFX-SOFGYWHQSA-N 1 2 331.419 3.982 20 0 EHADLO C[C@H](O)[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1F ZINC000572412544 1036084136 /nfs/dbraw/zinc/08/41/36/1036084136.db2.gz NIJHCLFDZTVTQB-QNGPCOALSA-N 1 2 339.332 3.942 20 0 EHADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)sc1-c1ccc(F)cc1 ZINC000174756864 1036095236 /nfs/dbraw/zinc/09/52/36/1036095236.db2.gz KNAKDWBAXJQCQI-UHFFFAOYSA-N 1 2 329.400 3.558 20 0 EHADLO CC(C)c1cccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000457443190 1036105066 /nfs/dbraw/zinc/10/50/66/1036105066.db2.gz DUHYMQNAQVBYOU-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH+]1 ZINC000588857755 1036145685 /nfs/dbraw/zinc/14/56/85/1036145685.db2.gz JNSYZHGZZQCSJT-STQMWFEESA-N 1 2 325.334 3.950 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000190257049 1036212336 /nfs/dbraw/zinc/21/23/36/1036212336.db2.gz XPKSDARYFVGIOX-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1nnnn1C1CC1 ZINC000190497348 1036246173 /nfs/dbraw/zinc/24/61/73/1036246173.db2.gz CLCALCMOGDXDFG-IUCAKERBSA-N 1 2 326.231 3.727 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000535258633 1036246895 /nfs/dbraw/zinc/24/68/95/1036246895.db2.gz VPASZFPZPRGISN-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000535261050 1036250883 /nfs/dbraw/zinc/25/08/83/1036250883.db2.gz LJKPHEFVGKSGSR-NVXWUHKLSA-N 1 2 335.517 3.544 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl)c1ccccc1 ZINC000175158566 1036261058 /nfs/dbraw/zinc/26/10/58/1036261058.db2.gz BDFUONQKSVWXRG-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl)c1ccccc1 ZINC000175158566 1036261078 /nfs/dbraw/zinc/26/10/78/1036261078.db2.gz BDFUONQKSVWXRG-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cc2ccccc2o1 ZINC000175189732 1036271487 /nfs/dbraw/zinc/27/14/87/1036271487.db2.gz DOEXOCUCYLHCGL-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cc2ccccc2o1 ZINC000175189732 1036271502 /nfs/dbraw/zinc/27/15/02/1036271502.db2.gz DOEXOCUCYLHCGL-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)o1 ZINC000589198432 1036303099 /nfs/dbraw/zinc/30/30/99/1036303099.db2.gz XNJOYBCWNIVPIU-UHFFFAOYSA-N 1 2 345.292 3.904 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nccc(C(F)(F)F)n2)C2CC2)cc1 ZINC000414261784 1036321957 /nfs/dbraw/zinc/32/19/57/1036321957.db2.gz RMPBLHDLKRBXCF-HNNXBMFYSA-N 1 2 325.309 3.875 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OCC)cn1 ZINC000083596077 1036378541 /nfs/dbraw/zinc/37/85/41/1036378541.db2.gz XQDVMVRDQOCWKM-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OCC)cn1 ZINC000083596077 1036378561 /nfs/dbraw/zinc/37/85/61/1036378561.db2.gz XQDVMVRDQOCWKM-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CC[C@@H](C)O1 ZINC000191433124 1036382454 /nfs/dbraw/zinc/38/24/54/1036382454.db2.gz FFLFVIKPOMRFTE-NEPJUHHUSA-N 1 2 348.306 3.527 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@@H]1CC[C@@H](C)O1 ZINC000191433124 1036382468 /nfs/dbraw/zinc/38/24/68/1036382468.db2.gz FFLFVIKPOMRFTE-NEPJUHHUSA-N 1 2 348.306 3.527 20 0 EHADLO COCC[N@@H+](Cc1sccc1Br)C[C@H]1CC[C@H](C)O1 ZINC000191433112 1036383331 /nfs/dbraw/zinc/38/33/31/1036383331.db2.gz FFLFVIKPOMRFTE-NWDGAFQWSA-N 1 2 348.306 3.527 20 0 EHADLO COCC[N@H+](Cc1sccc1Br)C[C@H]1CC[C@H](C)O1 ZINC000191433112 1036383348 /nfs/dbraw/zinc/38/33/48/1036383348.db2.gz FFLFVIKPOMRFTE-NWDGAFQWSA-N 1 2 348.306 3.527 20 0 EHADLO CCS[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(C)C ZINC000572536827 1036406085 /nfs/dbraw/zinc/40/60/85/1036406085.db2.gz CESXZVYEPRLAIE-ZOBUZTSGSA-N 1 2 335.517 3.699 20 0 EHADLO COCCOc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cn1 ZINC000541547177 1036427185 /nfs/dbraw/zinc/42/71/85/1036427185.db2.gz BCMBYCLJEAHOBU-FQEVSTJZSA-N 1 2 338.407 3.579 20 0 EHADLO CN(C(=O)C[NH2+][C@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000541565610 1036439685 /nfs/dbraw/zinc/43/96/85/1036439685.db2.gz HYAXGIDTNPQZNR-FQEVSTJZSA-N 1 2 326.440 3.750 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000572647055 1036444379 /nfs/dbraw/zinc/44/43/79/1036444379.db2.gz XYKIQAJUYIRFEA-DXWKLQOWSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000572647055 1036444384 /nfs/dbraw/zinc/44/43/84/1036444384.db2.gz XYKIQAJUYIRFEA-DXWKLQOWSA-N 1 2 345.430 3.952 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000457740593 1036450176 /nfs/dbraw/zinc/45/01/76/1036450176.db2.gz IJUSHMXIXXNSAA-OLZOCXBDSA-N 1 2 330.444 3.635 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c(C)n1C ZINC000572672009 1036452990 /nfs/dbraw/zinc/45/29/90/1036452990.db2.gz PWAROVIWXXFEIY-UHFFFAOYSA-N 1 2 332.488 3.638 20 0 EHADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2ncccn2)cc1 ZINC000192153952 1036482066 /nfs/dbraw/zinc/48/20/66/1036482066.db2.gz NTBYKWQDQGUJOB-LJQANCHMSA-N 1 2 337.398 3.698 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2Cl)CC[C@H]1F ZINC001233053689 1036488255 /nfs/dbraw/zinc/48/82/55/1036488255.db2.gz QUUXCLWWNDZYTK-MWLCHTKSSA-N 1 2 331.762 3.629 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccsc2Cl)CC[C@H]1F ZINC001233053689 1036488264 /nfs/dbraw/zinc/48/82/64/1036488264.db2.gz QUUXCLWWNDZYTK-MWLCHTKSSA-N 1 2 331.762 3.629 20 0 EHADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000192355010 1036499669 /nfs/dbraw/zinc/49/96/69/1036499669.db2.gz DDFHXMDWYQKGDJ-MRXNPFEDSA-N 1 2 339.370 3.749 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000376402499 1036528819 /nfs/dbraw/zinc/52/88/19/1036528819.db2.gz UKDXLUMMDGKWIT-QGZVFWFLSA-N 1 2 345.455 3.707 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000376402499 1036528829 /nfs/dbraw/zinc/52/88/29/1036528829.db2.gz UKDXLUMMDGKWIT-QGZVFWFLSA-N 1 2 345.455 3.707 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000457818213 1036531569 /nfs/dbraw/zinc/53/15/69/1036531569.db2.gz OLVZKVCHQLGSRZ-JTQLQIEISA-N 1 2 345.752 3.730 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)cn1 ZINC000541645599 1036537302 /nfs/dbraw/zinc/53/73/02/1036537302.db2.gz UDJUJVSDZJSBLS-OLZOCXBDSA-N 1 2 325.416 3.525 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)c1 ZINC000193296362 1036587183 /nfs/dbraw/zinc/58/71/83/1036587183.db2.gz GYMCBECDCZTFDV-IBGZPJMESA-N 1 2 325.456 3.805 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000056867145 1036594862 /nfs/dbraw/zinc/59/48/62/1036594862.db2.gz IERURVKRILRRBQ-NTMALXAHSA-N 1 2 349.390 3.541 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccsc3)CC2)cc2cccnc12 ZINC000542465325 1036655334 /nfs/dbraw/zinc/65/53/34/1036655334.db2.gz GZLKMHGINRNQII-UHFFFAOYSA-N 1 2 337.492 3.923 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000541846429 1036694434 /nfs/dbraw/zinc/69/44/34/1036694434.db2.gz KFVPPFCELKGGAG-DTWKUNHWSA-N 1 2 332.395 3.931 20 0 EHADLO O=C(c1ccccc1Oc1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987279 1036703633 /nfs/dbraw/zinc/70/36/33/1036703633.db2.gz BQGZHFNDQSBYRP-UHFFFAOYSA-N 1 2 346.386 3.777 20 0 EHADLO CC(C)c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c2ccccc2n1 ZINC000589989589 1036703999 /nfs/dbraw/zinc/70/39/99/1036703999.db2.gz WOQBYKOLBWAHTR-UHFFFAOYSA-N 1 2 347.418 3.657 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCCc3cccc(Cl)c3)[nH+]c12 ZINC000549067099 1036734810 /nfs/dbraw/zinc/73/48/10/1036734810.db2.gz AEBNMEZTEKPCFF-UHFFFAOYSA-N 1 2 341.842 3.588 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000590059294 1036743232 /nfs/dbraw/zinc/74/32/32/1036743232.db2.gz QEKXBIDQZORIKL-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000590059294 1036743249 /nfs/dbraw/zinc/74/32/49/1036743249.db2.gz QEKXBIDQZORIKL-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO NC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)c1ccccc1 ZINC000134303641 1036767748 /nfs/dbraw/zinc/76/77/48/1036767748.db2.gz BEWBQCWCKDXOGC-ZBFHGGJFSA-N 1 2 335.234 3.797 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000054390202 1036817692 /nfs/dbraw/zinc/81/76/92/1036817692.db2.gz HHWZKCUPKQHBIM-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000054390202 1036817714 /nfs/dbraw/zinc/81/77/14/1036817714.db2.gz HHWZKCUPKQHBIM-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)nc12 ZINC000539515814 1036843344 /nfs/dbraw/zinc/84/33/44/1036843344.db2.gz UPRMDQXRXTVAOZ-GFCCVEGCSA-N 1 2 340.814 3.594 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)s1 ZINC000590362431 1036856701 /nfs/dbraw/zinc/85/67/01/1036856701.db2.gz HGYBJIPYHRARQL-CQSZACIVSA-N 1 2 338.473 3.799 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)s1 ZINC000590362431 1036856725 /nfs/dbraw/zinc/85/67/25/1036856725.db2.gz HGYBJIPYHRARQL-CQSZACIVSA-N 1 2 338.473 3.799 20 0 EHADLO COC(=O)[C@H](C1CC1)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541985971 1036927205 /nfs/dbraw/zinc/92/72/05/1036927205.db2.gz ZCASEHXXIXFCRZ-INIZCTEOSA-N 1 2 339.357 3.746 20 0 EHADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541985971 1036927228 /nfs/dbraw/zinc/92/72/28/1036927228.db2.gz ZCASEHXXIXFCRZ-INIZCTEOSA-N 1 2 339.357 3.746 20 0 EHADLO Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177787881 1036935937 /nfs/dbraw/zinc/93/59/37/1036935937.db2.gz DLMWSUQEAZWUJB-IBGZPJMESA-N 1 2 348.450 3.559 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000162539149 1036945583 /nfs/dbraw/zinc/94/55/83/1036945583.db2.gz WWYJFCDXGFVHTH-GOSISDBHSA-N 1 2 331.847 3.974 20 0 EHADLO c1cc(C2CC2)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)s1 ZINC000350181462 1036957330 /nfs/dbraw/zinc/95/73/30/1036957330.db2.gz IYPLIMFKMJCWNO-TZMCWYRMSA-N 1 2 331.441 3.601 20 0 EHADLO c1cc(C2CC2)c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)s1 ZINC000350181462 1036957345 /nfs/dbraw/zinc/95/73/45/1036957345.db2.gz IYPLIMFKMJCWNO-TZMCWYRMSA-N 1 2 331.441 3.601 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cccc(Br)c2F)C1 ZINC000648490582 1036965419 /nfs/dbraw/zinc/96/54/19/1036965419.db2.gz OPPRYUKIYHSMDT-MRXNPFEDSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cccc(Br)c2F)C1 ZINC000648490582 1036965431 /nfs/dbraw/zinc/96/54/31/1036965431.db2.gz OPPRYUKIYHSMDT-MRXNPFEDSA-N 1 2 349.247 3.865 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177943437 1036974061 /nfs/dbraw/zinc/97/40/61/1036974061.db2.gz XATJXLCTMSHCLO-UHFFFAOYSA-N 1 2 336.439 3.631 20 0 EHADLO CC[C@H]1CCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000464910828 1036977667 /nfs/dbraw/zinc/97/76/67/1036977667.db2.gz IAFAAHKXLPXCSY-ZFWWWQNUSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H]([NH2+]Cc1oc2ccccc2c1Br)c1cnn(C)c1 ZINC000655741328 1037002931 /nfs/dbraw/zinc/00/29/31/1037002931.db2.gz HUQJNDULNKBGIY-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000539627480 1037003298 /nfs/dbraw/zinc/00/32/98/1037003298.db2.gz YVUOWIJKMYOTCQ-UHFFFAOYSA-N 1 2 341.480 3.923 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728035 1037007095 /nfs/dbraw/zinc/00/70/95/1037007095.db2.gz IYLFECNBWJFFAA-LBPRGKRZSA-N 1 2 346.793 3.634 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC1 ZINC000178375479 1037033505 /nfs/dbraw/zinc/03/35/05/1037033505.db2.gz DMNXCPAZUFARJJ-ZDUSSCGKSA-N 1 2 341.480 3.686 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC1 ZINC000178375479 1037033512 /nfs/dbraw/zinc/03/35/12/1037033512.db2.gz DMNXCPAZUFARJJ-ZDUSSCGKSA-N 1 2 341.480 3.686 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1[C@@H](C)C1CC1 ZINC000539686383 1037070325 /nfs/dbraw/zinc/07/03/25/1037070325.db2.gz REGIWEDKQXXGAA-ZDUSSCGKSA-N 1 2 335.411 3.805 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168453720 1037080404 /nfs/dbraw/zinc/08/04/04/1037080404.db2.gz GXWRAIMTYNHQRE-FZKQIMNGSA-N 1 2 349.833 3.784 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)CCc1c[nH+]cn1C ZINC000636436852 1037082630 /nfs/dbraw/zinc/08/26/30/1037082630.db2.gz SZSCWHKPOJIVAZ-UHFFFAOYSA-N 1 2 325.334 3.627 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590871527 1037108464 /nfs/dbraw/zinc/10/84/64/1037108464.db2.gz UIXZLLUABWOVMM-GOSISDBHSA-N 1 2 340.471 3.516 20 0 EHADLO C=Cc1ccc(CCNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000462575017 1037144776 /nfs/dbraw/zinc/14/47/76/1037144776.db2.gz OSVSITYGIKCARI-QGZVFWFLSA-N 1 2 337.467 3.640 20 0 EHADLO C=Cc1ccc(CCNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000462575017 1037144793 /nfs/dbraw/zinc/14/47/93/1037144793.db2.gz OSVSITYGIKCARI-QGZVFWFLSA-N 1 2 337.467 3.640 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCc3noc4c3CCCC4)c21 ZINC000642267234 1037174729 /nfs/dbraw/zinc/17/47/29/1037174729.db2.gz JPWJIEBWOGKRFL-UHFFFAOYSA-N 1 2 337.358 3.729 20 0 EHADLO c1ccc2c(c1)CC[C@@]21C[N@H+](Cc2nc3ccccc3s2)CCO1 ZINC000179111806 1037174753 /nfs/dbraw/zinc/17/47/53/1037174753.db2.gz LXFNPCIPALCVOI-HXUWFJFHSA-N 1 2 336.460 3.970 20 0 EHADLO c1ccc2c(c1)CC[C@@]21C[N@@H+](Cc2nc3ccccc3s2)CCO1 ZINC000179111806 1037174761 /nfs/dbraw/zinc/17/47/61/1037174761.db2.gz LXFNPCIPALCVOI-HXUWFJFHSA-N 1 2 336.460 3.970 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)on1 ZINC000105455508 1037189777 /nfs/dbraw/zinc/18/97/77/1037189777.db2.gz YYZMSVAQHIRGMQ-UHFFFAOYSA-N 1 2 343.814 3.900 20 0 EHADLO O=C(/C=C\c1sc2ccccc2c1Cl)N1CCn2c[nH+]cc2C1 ZINC000493296939 1037228575 /nfs/dbraw/zinc/22/85/75/1037228575.db2.gz REVKVQRNSFCWLS-WAYWQWQTSA-N 1 2 343.839 3.807 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000591142631 1037247656 /nfs/dbraw/zinc/24/76/56/1037247656.db2.gz OYUQMUDMAYODCN-CQSZACIVSA-N 1 2 349.837 3.690 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833098 1037261258 /nfs/dbraw/zinc/26/12/58/1037261258.db2.gz JBKSIUJVPUOYOK-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833098 1037261278 /nfs/dbraw/zinc/26/12/78/1037261278.db2.gz JBKSIUJVPUOYOK-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000539831900 1037257466 /nfs/dbraw/zinc/25/74/66/1037257466.db2.gz JMOWLFJYQADJBF-MRXNPFEDSA-N 1 2 349.496 3.900 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000539831900 1037257483 /nfs/dbraw/zinc/25/74/83/1037257483.db2.gz JMOWLFJYQADJBF-MRXNPFEDSA-N 1 2 349.496 3.900 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000539834939 1037265942 /nfs/dbraw/zinc/26/59/42/1037265942.db2.gz SQUTWDGRFYFMRV-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000539834939 1037265955 /nfs/dbraw/zinc/26/59/55/1037265955.db2.gz SQUTWDGRFYFMRV-QGZVFWFLSA-N 1 2 339.332 3.936 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493341709 1037282487 /nfs/dbraw/zinc/28/24/87/1037282487.db2.gz XJUKDRPJGYJTEG-FVNWOWOISA-N 1 2 349.438 3.717 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1OC(F)F ZINC000532441413 1037294601 /nfs/dbraw/zinc/29/46/01/1037294601.db2.gz JEEHZYBWVZHOLI-NSHDSACASA-N 1 2 335.329 3.926 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccsc1 ZINC000573102294 1037307033 /nfs/dbraw/zinc/30/70/33/1037307033.db2.gz VRLDKQTZKJPTRQ-BPUTZDHNSA-N 1 2 329.469 3.786 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000580154757 1037317626 /nfs/dbraw/zinc/31/76/26/1037317626.db2.gz OENKXZOCAOIZFJ-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cnccc1C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000580154757 1037317642 /nfs/dbraw/zinc/31/76/42/1037317642.db2.gz OENKXZOCAOIZFJ-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000614821898 1037328794 /nfs/dbraw/zinc/32/87/94/1037328794.db2.gz UDPFLBJQBQKJAF-AWEZNQCLSA-N 1 2 342.439 3.659 20 0 EHADLO CN(CC1CC1)C(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511111714 1037337390 /nfs/dbraw/zinc/33/73/90/1037337390.db2.gz YYYVNCQMNPRXOU-UHFFFAOYSA-N 1 2 338.854 3.560 20 0 EHADLO CN(CC1CC1)C(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511111714 1037337411 /nfs/dbraw/zinc/33/74/11/1037337411.db2.gz YYYVNCQMNPRXOU-UHFFFAOYSA-N 1 2 338.854 3.560 20 0 EHADLO Cc1ccccc1Cc1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000573170839 1037364568 /nfs/dbraw/zinc/36/45/68/1037364568.db2.gz NTTQEKHRZZAHIQ-UHFFFAOYSA-N 1 2 344.418 3.804 20 0 EHADLO C[C@@]1(F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000539924522 1037371202 /nfs/dbraw/zinc/37/12/02/1037371202.db2.gz GKXJGWXLCZJSKS-NVXWUHKLSA-N 1 2 327.827 3.832 20 0 EHADLO C[C@@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000539924522 1037371211 /nfs/dbraw/zinc/37/12/11/1037371211.db2.gz GKXJGWXLCZJSKS-NVXWUHKLSA-N 1 2 327.827 3.832 20 0 EHADLO Cc1cc(N)nc(SCCOc2c(Cl)cccc2Cl)[nH+]1 ZINC000007048982 1037386185 /nfs/dbraw/zinc/38/61/85/1037386185.db2.gz DAJAMVMKOZDXOR-UHFFFAOYSA-N 1 2 330.240 3.845 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000007047845 1037386816 /nfs/dbraw/zinc/38/68/16/1037386816.db2.gz SBLVPMNDFRPFNG-NSHDSACASA-N 1 2 330.457 3.612 20 0 EHADLO CC(C)C1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000573323866 1037463401 /nfs/dbraw/zinc/46/34/01/1037463401.db2.gz HORGMGIMGOGFBQ-ZDUSSCGKSA-N 1 2 336.505 3.685 20 0 EHADLO CC(C)C1(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000573323866 1037463406 /nfs/dbraw/zinc/46/34/06/1037463406.db2.gz HORGMGIMGOGFBQ-ZDUSSCGKSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCCC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000591523208 1037474780 /nfs/dbraw/zinc/47/47/80/1037474780.db2.gz WEQJBDAVEFPIMZ-HNNXBMFYSA-N 1 2 333.476 3.638 20 0 EHADLO C[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000079775311 1037480901 /nfs/dbraw/zinc/48/09/01/1037480901.db2.gz DLNRACCNBFZGIB-JOCHJYFZSA-N 1 2 345.446 3.684 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000573423936 1037492530 /nfs/dbraw/zinc/49/25/30/1037492530.db2.gz SBUPNIJYPPHSOK-IBGZPJMESA-N 1 2 325.456 3.559 20 0 EHADLO CCCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491476713 1037494048 /nfs/dbraw/zinc/49/40/48/1037494048.db2.gz BGYNGMYSJSNCQZ-CGQZWFTASA-N 1 2 339.439 3.618 20 0 EHADLO CC(C)Oc1cccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000491478115 1037497242 /nfs/dbraw/zinc/49/72/42/1037497242.db2.gz JROFNBBWDLERQT-JJEJIETFSA-N 1 2 339.439 3.616 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)NCc1cn2c([nH+]1)CCCC2 ZINC000491477340 1037497645 /nfs/dbraw/zinc/49/76/45/1037497645.db2.gz FRJPABMDPAONMF-TWGQIWQCSA-N 1 2 349.356 3.568 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1c(F)cncc1F ZINC000573391911 1037505522 /nfs/dbraw/zinc/50/55/22/1037505522.db2.gz VFGWCNACLFOXLN-LBPRGKRZSA-N 1 2 326.350 3.668 20 0 EHADLO CC(C)c1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000591574284 1037515766 /nfs/dbraw/zinc/51/57/66/1037515766.db2.gz KJHSYLQQXKNFCB-UHFFFAOYSA-N 1 2 340.471 3.897 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(F)c(F)c1 ZINC000532492935 1037539330 /nfs/dbraw/zinc/53/93/30/1037539330.db2.gz ZKTHZLYYKXKCSB-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc(F)c(F)c1 ZINC000532492935 1037539342 /nfs/dbraw/zinc/53/93/42/1037539342.db2.gz ZKTHZLYYKXKCSB-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000613546600 1037540193 /nfs/dbraw/zinc/54/01/93/1037540193.db2.gz ZMAIRGUZZMFACI-HOTGVXAUSA-N 1 2 332.513 3.924 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000613546602 1037540544 /nfs/dbraw/zinc/54/05/44/1037540544.db2.gz ZMAIRGUZZMFACI-HZPDHXFCSA-N 1 2 332.513 3.924 20 0 EHADLO COC(=O)c1occc1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000573505116 1037591993 /nfs/dbraw/zinc/59/19/93/1037591993.db2.gz KKFGUZPJABQPTP-UHFFFAOYSA-N 1 2 335.350 3.724 20 0 EHADLO S=c1[nH]nc(Cc2cccs2)n1C[N@@H+]1CCc2ccccc2C1 ZINC000058204692 1037606554 /nfs/dbraw/zinc/60/65/54/1037606554.db2.gz CFNKGZUUGYPERU-UHFFFAOYSA-N 1 2 342.493 3.609 20 0 EHADLO S=c1[nH]nc(Cc2cccs2)n1C[N@H+]1CCc2ccccc2C1 ZINC000058204692 1037606566 /nfs/dbraw/zinc/60/65/66/1037606566.db2.gz CFNKGZUUGYPERU-UHFFFAOYSA-N 1 2 342.493 3.609 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000026460811 1037612582 /nfs/dbraw/zinc/61/25/82/1037612582.db2.gz XSBSVZOSWVHVIS-MRXNPFEDSA-N 1 2 340.467 3.553 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000026460811 1037612593 /nfs/dbraw/zinc/61/25/93/1037612593.db2.gz XSBSVZOSWVHVIS-MRXNPFEDSA-N 1 2 340.467 3.553 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000925272717 1037613197 /nfs/dbraw/zinc/61/31/97/1037613197.db2.gz VFACYWURVJGGCV-STQMWFEESA-N 1 2 346.450 3.946 20 0 EHADLO C=C(Cl)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000045965444 1037622326 /nfs/dbraw/zinc/62/23/26/1037622326.db2.gz NKWOPUMXGOWNSM-UHFFFAOYSA-N 1 2 334.876 3.708 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271204645 1037656832 /nfs/dbraw/zinc/65/68/32/1037656832.db2.gz JVMWGICLYZEWFT-LLVKDONJSA-N 1 2 337.345 3.744 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271204645 1037656845 /nfs/dbraw/zinc/65/68/45/1037656845.db2.gz JVMWGICLYZEWFT-LLVKDONJSA-N 1 2 337.345 3.744 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000151773460 1037657064 /nfs/dbraw/zinc/65/70/64/1037657064.db2.gz KEGJVYZEUIYLCF-RBUKOAKNSA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000151773460 1037657071 /nfs/dbraw/zinc/65/70/71/1037657071.db2.gz KEGJVYZEUIYLCF-RBUKOAKNSA-N 1 2 338.476 3.708 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@@H](CC)C1 ZINC000463022009 1037669178 /nfs/dbraw/zinc/66/91/78/1037669178.db2.gz ICGTYEFWUIOZSU-ZDUSSCGKSA-N 1 2 330.453 3.743 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(F)cccc3C2)c(C)c1 ZINC000152772038 1037671626 /nfs/dbraw/zinc/67/16/26/1037671626.db2.gz HEABQXLUQFOPGK-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(F)cccc3C2)c(C)c1 ZINC000152772038 1037671633 /nfs/dbraw/zinc/67/16/33/1037671633.db2.gz HEABQXLUQFOPGK-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132638 1037689420 /nfs/dbraw/zinc/68/94/20/1037689420.db2.gz DGIYJWVDPVPUDS-HUUCEWRRSA-N 1 2 327.428 3.831 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132638 1037689431 /nfs/dbraw/zinc/68/94/31/1037689431.db2.gz DGIYJWVDPVPUDS-HUUCEWRRSA-N 1 2 327.428 3.831 20 0 EHADLO Cc1cc2nc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)oc2c(C)c1 ZINC000085766058 1037724349 /nfs/dbraw/zinc/72/43/49/1037724349.db2.gz JISRUZXGPPKIGG-UHFFFAOYSA-N 1 2 334.379 3.582 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cs1 ZINC000378036853 1037743818 /nfs/dbraw/zinc/74/38/18/1037743818.db2.gz HQUWZMMXPOCFRC-SNVBAGLBSA-N 1 2 334.470 3.592 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1F ZINC000378050484 1037765808 /nfs/dbraw/zinc/76/58/08/1037765808.db2.gz ASXWMHCJDXGNIT-MRXNPFEDSA-N 1 2 348.397 3.728 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1F ZINC000378050484 1037765824 /nfs/dbraw/zinc/76/58/24/1037765824.db2.gz ASXWMHCJDXGNIT-MRXNPFEDSA-N 1 2 348.397 3.728 20 0 EHADLO C[N@H+](Cc1cnn2ccccc12)Cc1cc(Br)ccc1F ZINC000506237633 1037793733 /nfs/dbraw/zinc/79/37/33/1037793733.db2.gz YHRVATCAGPRUAP-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cnn2ccccc12)Cc1cc(Br)ccc1F ZINC000506237633 1037793749 /nfs/dbraw/zinc/79/37/49/1037793749.db2.gz YHRVATCAGPRUAP-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440714 1037800303 /nfs/dbraw/zinc/80/03/03/1037800303.db2.gz WWMPVLKRCKRNOL-NRFANRHFSA-N 1 2 335.451 3.894 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096676 1037818355 /nfs/dbraw/zinc/81/83/55/1037818355.db2.gz NXGZNMLQERKOME-HOTGVXAUSA-N 1 2 338.442 3.899 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096676 1037818364 /nfs/dbraw/zinc/81/83/64/1037818364.db2.gz NXGZNMLQERKOME-HOTGVXAUSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCS[C@H](C)CC1 ZINC000494118069 1037838740 /nfs/dbraw/zinc/83/87/40/1037838740.db2.gz ZFNQALGDVJVXIY-MNOVXSKESA-N 1 2 330.856 3.634 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCS[C@H](C)CC1 ZINC000494118069 1037838759 /nfs/dbraw/zinc/83/87/59/1037838759.db2.gz ZFNQALGDVJVXIY-MNOVXSKESA-N 1 2 330.856 3.634 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378080842 1037856014 /nfs/dbraw/zinc/85/60/14/1037856014.db2.gz VMXNNCDPPOYVOB-UHFFFAOYSA-N 1 2 347.846 3.870 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378080842 1037856026 /nfs/dbraw/zinc/85/60/26/1037856026.db2.gz VMXNNCDPPOYVOB-UHFFFAOYSA-N 1 2 347.846 3.870 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000592158826 1037857700 /nfs/dbraw/zinc/85/77/00/1037857700.db2.gz KDJNBOMKAJSBOA-UHFFFAOYSA-N 1 2 336.476 3.916 20 0 EHADLO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084310 1037866991 /nfs/dbraw/zinc/86/69/91/1037866991.db2.gz LZCMRMHQDKJJAH-GJZGRUSLSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084310 1037867005 /nfs/dbraw/zinc/86/70/05/1037867005.db2.gz LZCMRMHQDKJJAH-GJZGRUSLSA-N 1 2 329.831 3.573 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3nc4ccc(F)cc4o3)C2)no1 ZINC000378091320 1037879135 /nfs/dbraw/zinc/87/91/35/1037879135.db2.gz QCRGWPVOLLVPLI-LBPRGKRZSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)no1 ZINC000378091320 1037879144 /nfs/dbraw/zinc/87/91/44/1037879144.db2.gz QCRGWPVOLLVPLI-LBPRGKRZSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1nc(C2CC2)no1 ZINC000925409014 1037883385 /nfs/dbraw/zinc/88/33/85/1037883385.db2.gz BNZCIRPZPLXMDC-BLLLJJGKSA-N 1 2 329.448 3.916 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000038908366 1037968769 /nfs/dbraw/zinc/96/87/69/1037968769.db2.gz YYRFBXZACIUVQJ-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc(C(C)(C)O)cc1 ZINC000925518964 1038010117 /nfs/dbraw/zinc/01/01/17/1038010117.db2.gz QHJVJNIBIIBOLX-GFCCVEGCSA-N 1 2 333.501 3.914 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454199837 1038014566 /nfs/dbraw/zinc/01/45/66/1038014566.db2.gz HQLXZAZRUYONKC-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO COCCOc1cccc(/C=C/C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000188093794 1038076284 /nfs/dbraw/zinc/07/62/84/1038076284.db2.gz IRZSGJNBJZTICF-CMDGGOBGSA-N 1 2 340.423 3.684 20 0 EHADLO CC[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123825420 1038087942 /nfs/dbraw/zinc/08/79/42/1038087942.db2.gz BGSYDMURSONINJ-MAUKXSAKSA-N 1 2 343.446 3.534 20 0 EHADLO CC(C)n1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000124015988 1038123610 /nfs/dbraw/zinc/12/36/10/1038123610.db2.gz DHEAEJAMEQZDQI-UHFFFAOYSA-N 1 2 335.411 3.779 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2Cl)oc1C ZINC000540595716 1038128743 /nfs/dbraw/zinc/12/87/43/1038128743.db2.gz QZHNCOQGIFQSAK-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO CC(C)[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1F ZINC000180442920 1038176665 /nfs/dbraw/zinc/17/66/65/1038176665.db2.gz FETSUCDNTDIHNE-AWEZNQCLSA-N 1 2 333.798 3.965 20 0 EHADLO CCN(C(=O)Cc1ccc(NCc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000125293464 1038305779 /nfs/dbraw/zinc/30/57/79/1038305779.db2.gz DOROSVPUUKRPHV-UHFFFAOYSA-N 1 2 348.450 3.628 20 0 EHADLO CCc1ccccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043402375 1038317990 /nfs/dbraw/zinc/31/79/90/1038317990.db2.gz RQECVLGTDYJDRR-UHFFFAOYSA-N 1 2 334.423 3.816 20 0 EHADLO O=C(Nc1cccnc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378275843 1038347988 /nfs/dbraw/zinc/34/79/88/1038347988.db2.gz XOARDEBASVJMJH-UHFFFAOYSA-N 1 2 331.379 3.641 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CCC(C2CC2)CC1 ZINC000667112768 1038421272 /nfs/dbraw/zinc/42/12/72/1038421272.db2.gz QJPXHDSJKKADBK-UHFFFAOYSA-N 1 2 342.483 3.674 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)s1 ZINC000538730050 1038497781 /nfs/dbraw/zinc/49/77/81/1038497781.db2.gz AXFHHMOOBJGMOD-BBRMVZONSA-N 1 2 331.485 3.744 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CCO1 ZINC000538728837 1038497900 /nfs/dbraw/zinc/49/79/00/1038497900.db2.gz BDVAQLLPUAZJBZ-MRXNPFEDSA-N 1 2 349.425 3.768 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CCO1 ZINC000538728837 1038497905 /nfs/dbraw/zinc/49/79/05/1038497905.db2.gz BDVAQLLPUAZJBZ-MRXNPFEDSA-N 1 2 349.425 3.768 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000538956160 1038613749 /nfs/dbraw/zinc/61/37/49/1038613749.db2.gz TVUAEHSNWXELPL-FQEVSTJZSA-N 1 2 338.426 3.704 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000538956160 1038613752 /nfs/dbraw/zinc/61/37/52/1038613752.db2.gz TVUAEHSNWXELPL-FQEVSTJZSA-N 1 2 338.426 3.704 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2cccc(Cl)c2)s1 ZINC000416426003 1038653545 /nfs/dbraw/zinc/65/35/45/1038653545.db2.gz KOXWLKAVAJROQZ-UHFFFAOYSA-N 1 2 332.860 3.638 20 0 EHADLO CCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156199 1038716822 /nfs/dbraw/zinc/71/68/22/1038716822.db2.gz UKWSGGKUYDHIFP-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156199 1038716828 /nfs/dbraw/zinc/71/68/28/1038716828.db2.gz UKWSGGKUYDHIFP-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1oc(C2CC2)nc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000552033410 1038724676 /nfs/dbraw/zinc/72/46/76/1038724676.db2.gz XJRGOKDMINAZCP-UHFFFAOYSA-N 1 2 346.456 3.555 20 0 EHADLO Cc1cc(NCc2cc(COC(C)(C)C)on2)nc(C2CCC2)[nH+]1 ZINC000893258207 1038761645 /nfs/dbraw/zinc/76/16/45/1038761645.db2.gz WNSZEHZDNIDESG-UHFFFAOYSA-N 1 2 330.432 3.968 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3C[C@H](CO)OC[C@@H]3C)s2)cc1 ZINC000485250500 1038827566 /nfs/dbraw/zinc/82/75/66/1038827566.db2.gz ZSKROFBYORHYGO-WMLDXEAASA-N 1 2 346.496 3.515 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3C[C@H](CO)OC[C@@H]3C)s2)cc1 ZINC000485250500 1038827591 /nfs/dbraw/zinc/82/75/91/1038827591.db2.gz ZSKROFBYORHYGO-WMLDXEAASA-N 1 2 346.496 3.515 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000031435001 1038896359 /nfs/dbraw/zinc/89/63/59/1038896359.db2.gz UKOQJGUNWISNIB-UHFFFAOYSA-N 1 2 326.440 3.849 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2ccccc2N2CCCC2)c(C)[nH+]1 ZINC000905455635 1038907495 /nfs/dbraw/zinc/90/74/95/1038907495.db2.gz JBJPRAZXOOYSDE-UHFFFAOYSA-N 1 2 337.467 3.879 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)c(N(C)C)[nH+]1 ZINC000760621251 1038923377 /nfs/dbraw/zinc/92/33/77/1038923377.db2.gz UAFKXQPTYUQLOB-UHFFFAOYSA-N 1 2 325.746 3.640 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000363925624 1038965924 /nfs/dbraw/zinc/96/59/24/1038965924.db2.gz UUWOPYQZMBKZKV-MRXNPFEDSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000363925624 1038965935 /nfs/dbraw/zinc/96/59/35/1038965935.db2.gz UUWOPYQZMBKZKV-MRXNPFEDSA-N 1 2 328.441 3.782 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363928066 1038968717 /nfs/dbraw/zinc/96/87/17/1038968717.db2.gz YFYXWBQQKQIZJG-LJQANCHMSA-N 1 2 341.455 3.667 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363928066 1038968741 /nfs/dbraw/zinc/96/87/41/1038968741.db2.gz YFYXWBQQKQIZJG-LJQANCHMSA-N 1 2 341.455 3.667 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000063994462 1039010370 /nfs/dbraw/zinc/01/03/70/1039010370.db2.gz HXKMEPBZZAOLGY-UHFFFAOYSA-N 1 2 335.517 3.537 20 0 EHADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000512400984 1039012440 /nfs/dbraw/zinc/01/24/40/1039012440.db2.gz VHZMBBAXBGHLDZ-INIZCTEOSA-N 1 2 343.496 3.609 20 0 EHADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000512400984 1039012461 /nfs/dbraw/zinc/01/24/61/1039012461.db2.gz VHZMBBAXBGHLDZ-INIZCTEOSA-N 1 2 343.496 3.609 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)[C@@H](CC)CN1C(C)=O ZINC000432750129 1039039433 /nfs/dbraw/zinc/03/94/33/1039039433.db2.gz XYTSISOKTDNPEA-STQMWFEESA-N 1 2 348.434 3.988 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@@H](CC)CN1C(C)=O ZINC000432750129 1039039454 /nfs/dbraw/zinc/03/94/54/1039039454.db2.gz XYTSISOKTDNPEA-STQMWFEESA-N 1 2 348.434 3.988 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432751012 1039042002 /nfs/dbraw/zinc/04/20/02/1039042002.db2.gz QWIXMNNXSOMKEB-CABCVRRESA-N 1 2 349.475 3.657 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432751012 1039042023 /nfs/dbraw/zinc/04/20/23/1039042023.db2.gz QWIXMNNXSOMKEB-CABCVRRESA-N 1 2 349.475 3.657 20 0 EHADLO Cc1cc(N2CCC[C@@](CO)(c3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC000893711498 1039054662 /nfs/dbraw/zinc/05/46/62/1039054662.db2.gz LORDBRGFJHSPSJ-OAQYLSRUSA-N 1 2 337.467 3.583 20 0 EHADLO Cc1cc(F)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000432770246 1039097973 /nfs/dbraw/zinc/09/79/73/1039097973.db2.gz GNQBLNAMUNJBJX-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@H]2CC2(C)C)C[C@H](C)O1 ZINC000488353080 1039111768 /nfs/dbraw/zinc/11/17/68/1039111768.db2.gz OOFPDUCOFNMXMJ-DAYGRLMNSA-N 1 2 345.487 3.558 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@H]2CC2(C)C)C[C@H](C)O1 ZINC000488353080 1039111773 /nfs/dbraw/zinc/11/17/73/1039111773.db2.gz OOFPDUCOFNMXMJ-DAYGRLMNSA-N 1 2 345.487 3.558 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667276039 1039119904 /nfs/dbraw/zinc/11/99/04/1039119904.db2.gz WGCBNXZLWBPBSP-YJBOKZPZSA-N 1 2 338.455 3.685 20 0 EHADLO C[C@H](NC(=S)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000044059026 1039126401 /nfs/dbraw/zinc/12/64/01/1039126401.db2.gz UGEWUMXNSAJMOP-HNNXBMFYSA-N 1 2 345.537 3.501 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)[NH+]1CCSCC1 ZINC000728913203 1039138210 /nfs/dbraw/zinc/13/82/10/1039138210.db2.gz KFRNRADEFCIFLY-OAHLLOKOSA-N 1 2 326.465 3.729 20 0 EHADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000614053625 1039171058 /nfs/dbraw/zinc/17/10/58/1039171058.db2.gz ACVMYAARZZWAST-CRAIPNDOSA-N 1 2 339.439 3.640 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)c2cccc(OC)n2)C12CCCC2 ZINC000552335239 1039192814 /nfs/dbraw/zinc/19/28/14/1039192814.db2.gz MIPMQJNNITXKAE-HUUCEWRRSA-N 1 2 340.414 3.509 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)CCc2cc(Cl)ccc2Cl)n1 ZINC000488468615 1039209481 /nfs/dbraw/zinc/20/94/81/1039209481.db2.gz SFEZZBSFVBPPIN-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCc2cc(Cl)ccc2Cl)n1 ZINC000488468615 1039209493 /nfs/dbraw/zinc/20/94/93/1039209493.db2.gz SFEZZBSFVBPPIN-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO NC(Cc1cccc(F)c1)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000783159328 1039210124 /nfs/dbraw/zinc/21/01/24/1039210124.db2.gz PEYBAXGRZABCHO-UHFFFAOYSA-N 1 2 343.333 3.861 20 0 EHADLO COc1ncc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000367438239 1039242294 /nfs/dbraw/zinc/24/22/94/1039242294.db2.gz LQXCINYAXIROPG-RISCZKNCSA-N 1 2 349.866 3.644 20 0 EHADLO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000237503164 1039377260 /nfs/dbraw/zinc/37/72/60/1039377260.db2.gz ZKKDJLQNTQJNRO-CYBMUJFWSA-N 1 2 342.443 3.927 20 0 EHADLO CCCC(=O)Nc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000906214033 1039389834 /nfs/dbraw/zinc/38/98/34/1039389834.db2.gz MFWQCWXMMIZKFJ-UHFFFAOYSA-N 1 2 339.439 3.675 20 0 EHADLO Cc1ccoc1CN(C)c1cc(N(C)Cc2occc2C)[nH+]cn1 ZINC000488777097 1039396158 /nfs/dbraw/zinc/39/61/58/1039396158.db2.gz PUSYEHJAJORIQN-UHFFFAOYSA-N 1 2 326.400 3.552 20 0 EHADLO CCCn1nccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000667655673 1039397967 /nfs/dbraw/zinc/39/79/67/1039397967.db2.gz NAWFNHVNSLQCJZ-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO CCCn1nccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000667655673 1039397982 /nfs/dbraw/zinc/39/79/82/1039397982.db2.gz NAWFNHVNSLQCJZ-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246764595 1039400882 /nfs/dbraw/zinc/40/08/82/1039400882.db2.gz AUCHVXIFCAZURL-YESZJQIVSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)[C@@H](C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246764595 1039400888 /nfs/dbraw/zinc/40/08/88/1039400888.db2.gz AUCHVXIFCAZURL-YESZJQIVSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](Cc3cn(C4CC4)nn3)CC2)cc1 ZINC000906257286 1039413570 /nfs/dbraw/zinc/41/35/70/1039413570.db2.gz CDYQHZQVSAFGRL-UHFFFAOYSA-N 1 2 340.471 3.780 20 0 EHADLO Fc1ccccc1[C@@H](F)C1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906302219 1039458426 /nfs/dbraw/zinc/45/84/26/1039458426.db2.gz NKUAVUHWMAVWNK-SFHVURJKSA-N 1 2 332.398 3.675 20 0 EHADLO Fc1ccccc1[C@H](F)C1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906302218 1039459109 /nfs/dbraw/zinc/45/91/09/1039459109.db2.gz NKUAVUHWMAVWNK-GOSISDBHSA-N 1 2 332.398 3.675 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718192 1039459749 /nfs/dbraw/zinc/45/97/49/1039459749.db2.gz CXYUFBIHULBVNZ-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000485718192 1039459759 /nfs/dbraw/zinc/45/97/59/1039459759.db2.gz CXYUFBIHULBVNZ-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485724301 1039466780 /nfs/dbraw/zinc/46/67/80/1039466780.db2.gz RCCZQAGQLYLYCU-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485724301 1039466789 /nfs/dbraw/zinc/46/67/89/1039466789.db2.gz RCCZQAGQLYLYCU-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO FC(F)(F)Cn1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)cn1 ZINC000326640213 1039482055 /nfs/dbraw/zinc/48/20/55/1039482055.db2.gz VZEIRENJJRCKJU-INIZCTEOSA-N 1 2 335.329 3.918 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000554571965 1039493444 /nfs/dbraw/zinc/49/34/44/1039493444.db2.gz XHZQELFQLGOKPD-KRWDZBQOSA-N 1 2 331.847 3.760 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)oc1C ZINC000432848722 1039531373 /nfs/dbraw/zinc/53/13/73/1039531373.db2.gz XHYJCMNOXDKJOG-ZUZCIYMTSA-N 1 2 334.441 3.941 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485762605 1039536752 /nfs/dbraw/zinc/53/67/52/1039536752.db2.gz PXSBCSSOUOWFSB-DLBZAZTESA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485762605 1039536763 /nfs/dbraw/zinc/53/67/63/1039536763.db2.gz PXSBCSSOUOWFSB-DLBZAZTESA-N 1 2 338.442 3.899 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000417227046 1039562221 /nfs/dbraw/zinc/56/22/21/1039562221.db2.gz LBIZFWHCELOSLQ-CYBMUJFWSA-N 1 2 330.457 3.852 20 0 EHADLO CCN(C(=O)C[N@H+](C)CCC(F)(F)F)[C@H](C)c1ccc(F)cc1 ZINC000064635758 1039576885 /nfs/dbraw/zinc/57/68/85/1039576885.db2.gz XICBZQBDELGEPH-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO CCN(C(=O)C[N@@H+](C)CCC(F)(F)F)[C@H](C)c1ccc(F)cc1 ZINC000064635758 1039576899 /nfs/dbraw/zinc/57/68/99/1039576899.db2.gz XICBZQBDELGEPH-GFCCVEGCSA-N 1 2 334.357 3.619 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000419192602 1039577986 /nfs/dbraw/zinc/57/79/86/1039577986.db2.gz PLBGBGTTWGZVQG-WMZOPIPTSA-N 1 2 341.476 3.640 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[NH+](CC)CC1 ZINC000512526724 1039607110 /nfs/dbraw/zinc/60/71/10/1039607110.db2.gz ZSQRBWGTCQWEIR-UHFFFAOYSA-N 1 2 344.480 3.592 20 0 EHADLO Cc1cnc(CC[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c(C)c1 ZINC000584718575 1039619116 /nfs/dbraw/zinc/61/91/16/1039619116.db2.gz WWJLMTDWEZIKCE-MRXNPFEDSA-N 1 2 336.439 3.566 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506021 1039619796 /nfs/dbraw/zinc/61/97/96/1039619796.db2.gz LOQTXNICAOLIGU-YJBOKZPZSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506021 1039619806 /nfs/dbraw/zinc/61/98/06/1039619806.db2.gz LOQTXNICAOLIGU-YJBOKZPZSA-N 1 2 344.430 3.799 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000552923637 1039638970 /nfs/dbraw/zinc/63/89/70/1039638970.db2.gz SEEUGTSYWKEKKI-NOZJJQNGSA-N 1 2 330.375 3.855 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000480535021 1039655162 /nfs/dbraw/zinc/65/51/62/1039655162.db2.gz GLVCSDGRSALKSM-RNCFNFMXSA-N 1 2 325.733 3.929 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000480535021 1039655173 /nfs/dbraw/zinc/65/51/73/1039655173.db2.gz GLVCSDGRSALKSM-RNCFNFMXSA-N 1 2 325.733 3.929 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306289 1039656977 /nfs/dbraw/zinc/65/69/77/1039656977.db2.gz CSHGSPHCEOLYOZ-CWRNSKLLSA-N 1 2 329.469 3.584 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3c(Cl)cccc23)[C@@H]1n1cccn1 ZINC000549684943 1039673102 /nfs/dbraw/zinc/67/31/02/1039673102.db2.gz YJJRDNGNDJKHFU-NUJGCVRESA-N 1 2 342.830 3.915 20 0 EHADLO CC(C)(CNC(=O)CCC(=O)c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898900093 1039673810 /nfs/dbraw/zinc/67/38/10/1039673810.db2.gz SIJZKDBTDVPEOG-UHFFFAOYSA-N 1 2 349.434 3.551 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901511 1039679061 /nfs/dbraw/zinc/67/90/61/1039679061.db2.gz JEOHIPBVRALCMH-GFCCVEGCSA-N 1 2 337.876 3.569 20 0 EHADLO Cc1cccc2cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)sc21 ZINC000584744774 1039690225 /nfs/dbraw/zinc/69/02/25/1039690225.db2.gz NRKUWHFKAWJZHF-UHFFFAOYSA-N 1 2 339.464 3.715 20 0 EHADLO CC(C)(CNC(=O)C(C)(C)c1cccc(Cl)c1F)n1cc[nH+]c1 ZINC000898905946 1039692789 /nfs/dbraw/zinc/69/27/89/1039692789.db2.gz JAWIRBNDFQRAAS-UHFFFAOYSA-N 1 2 337.826 3.505 20 0 EHADLO CC(C)(CNC(=O)CCCCCc1ccc(F)cc1)n1cc[nH+]c1 ZINC000898906737 1039694188 /nfs/dbraw/zinc/69/41/88/1039694188.db2.gz OLXNDNUSGCVUKT-UHFFFAOYSA-N 1 2 331.435 3.677 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC[C@@H]3CC[C@@H]4C[C@@H]43)CC2)cs1 ZINC000893796165 1039711543 /nfs/dbraw/zinc/71/15/43/1039711543.db2.gz IOWGWWCFMOLZJC-YXJHDRRASA-N 1 2 348.512 3.643 20 0 EHADLO FC(F)n1c(C[NH+]2CCC(c3cn[nH]c3)CC2)nc2ccccc21 ZINC000364091157 1039721445 /nfs/dbraw/zinc/72/14/45/1039721445.db2.gz FMJXFPMQAATCCW-UHFFFAOYSA-N 1 2 331.370 3.534 20 0 EHADLO C[C@H](CC1CCCCC1)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663852211 1039767567 /nfs/dbraw/zinc/76/75/67/1039767567.db2.gz PWBBXOZIJJKODZ-OAHLLOKOSA-N 1 2 332.492 3.599 20 0 EHADLO C[C@H](CC1CCCCC1)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663852211 1039767585 /nfs/dbraw/zinc/76/75/85/1039767585.db2.gz PWBBXOZIJJKODZ-OAHLLOKOSA-N 1 2 332.492 3.599 20 0 EHADLO COC(=O)c1cnc(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)s1 ZINC000893883251 1039786764 /nfs/dbraw/zinc/78/67/64/1039786764.db2.gz XIAJHTXBEAVCMG-CYBMUJFWSA-N 1 2 330.453 3.730 20 0 EHADLO COC(=O)c1cnc(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)s1 ZINC000893883251 1039786779 /nfs/dbraw/zinc/78/67/79/1039786779.db2.gz XIAJHTXBEAVCMG-CYBMUJFWSA-N 1 2 330.453 3.730 20 0 EHADLO COC(=O)c1cnc(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)s1 ZINC000893883252 1039787239 /nfs/dbraw/zinc/78/72/39/1039787239.db2.gz XIAJHTXBEAVCMG-ZDUSSCGKSA-N 1 2 330.453 3.730 20 0 EHADLO COC(=O)c1cnc(C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)s1 ZINC000893883252 1039787260 /nfs/dbraw/zinc/78/72/60/1039787260.db2.gz XIAJHTXBEAVCMG-ZDUSSCGKSA-N 1 2 330.453 3.730 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC(C2CCCC2)C1 ZINC000478902249 1039797528 /nfs/dbraw/zinc/79/75/28/1039797528.db2.gz ADPGAQZGNJVEPS-UHFFFAOYSA-N 1 2 348.516 3.783 20 0 EHADLO CC1(C)CC(C)(C)c2cc(NC(=O)NCc3ccc(N)[nH+]c3)ccc21 ZINC000554880053 1039899143 /nfs/dbraw/zinc/89/91/43/1039899143.db2.gz PMXYAWOPNOIDDA-UHFFFAOYSA-N 1 2 338.455 3.775 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)cs1 ZINC000549803397 1039917791 /nfs/dbraw/zinc/91/77/91/1039917791.db2.gz SUJJOVDBKSDTMW-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)cs1 ZINC000549803397 1039917809 /nfs/dbraw/zinc/91/78/09/1039917809.db2.gz SUJJOVDBKSDTMW-UHFFFAOYSA-N 1 2 332.498 3.800 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479114122 1039960050 /nfs/dbraw/zinc/96/00/50/1039960050.db2.gz FQRHFZDWRSQXHI-BBRMVZONSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479114122 1039960071 /nfs/dbraw/zinc/96/00/71/1039960071.db2.gz FQRHFZDWRSQXHI-BBRMVZONSA-N 1 2 330.378 3.609 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+][C@H]2CCc3c2cccc3Cl)nc1 ZINC000584821477 1039976898 /nfs/dbraw/zinc/97/68/98/1039976898.db2.gz IFRUZZMDRZXAIY-ZDUSSCGKSA-N 1 2 327.737 3.926 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000048215936 1039982988 /nfs/dbraw/zinc/98/29/88/1039982988.db2.gz CCUKQNPJLTUAGH-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000048215936 1039983001 /nfs/dbraw/zinc/98/30/01/1039983001.db2.gz CCUKQNPJLTUAGH-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000554960361 1039998260 /nfs/dbraw/zinc/99/82/60/1039998260.db2.gz MWKOAZPOIZWHLX-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000554960361 1039998277 /nfs/dbraw/zinc/99/82/77/1039998277.db2.gz MWKOAZPOIZWHLX-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000554970527 1040012565 /nfs/dbraw/zinc/01/25/65/1040012565.db2.gz FEJPIPGWUVTPMZ-RMKNXTFCSA-N 1 2 326.484 3.670 20 0 EHADLO COc1cccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c1OC ZINC000549848259 1040013949 /nfs/dbraw/zinc/01/39/49/1040013949.db2.gz PPZDNZYXRAXNSE-IBGZPJMESA-N 1 2 333.378 3.914 20 0 EHADLO COc1cccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c1OC ZINC000549848259 1040013970 /nfs/dbraw/zinc/01/39/70/1040013970.db2.gz PPZDNZYXRAXNSE-IBGZPJMESA-N 1 2 333.378 3.914 20 0 EHADLO COCC[N@H+](Cc1nc(C2CCCCC2)cs1)[C@@H]1CCO[C@@H]1C ZINC000489503693 1040028579 /nfs/dbraw/zinc/02/85/79/1040028579.db2.gz VJOUPRIIIRLKFA-RHSMWYFYSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1nc(C2CCCCC2)cs1)[C@@H]1CCO[C@@H]1C ZINC000489503693 1040028598 /nfs/dbraw/zinc/02/85/98/1040028598.db2.gz VJOUPRIIIRLKFA-RHSMWYFYSA-N 1 2 338.517 3.817 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](OC(F)F)C3)n2)cc1F ZINC000555073568 1040129367 /nfs/dbraw/zinc/12/93/67/1040129367.db2.gz PGYFKULITAPRGG-JQWIXIFHSA-N 1 2 341.333 3.559 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](OC(F)F)C3)n2)cc1F ZINC000555073568 1040129375 /nfs/dbraw/zinc/12/93/75/1040129375.db2.gz PGYFKULITAPRGG-JQWIXIFHSA-N 1 2 341.333 3.559 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC000907782173 1040169922 /nfs/dbraw/zinc/16/99/22/1040169922.db2.gz XACJKWAAKKGNAI-QGZVFWFLSA-N 1 2 346.434 3.502 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCCSC1 ZINC000907814731 1040180457 /nfs/dbraw/zinc/18/04/57/1040180457.db2.gz HHLJSEDXGVVBOM-GJZGRUSLSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CCCSC1 ZINC000907814731 1040180464 /nfs/dbraw/zinc/18/04/64/1040180464.db2.gz HHLJSEDXGVVBOM-GJZGRUSLSA-N 1 2 347.528 3.574 20 0 EHADLO CC1(C)CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@]2(CCOC2)O1 ZINC000553562040 1040180858 /nfs/dbraw/zinc/18/08/58/1040180858.db2.gz JMVWUGFZFZQDHT-GOSISDBHSA-N 1 2 332.831 3.663 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2ccc(F)nc2)c1 ZINC000189160050 1040186576 /nfs/dbraw/zinc/18/65/76/1040186576.db2.gz CCZHUTKVHOIBRH-UHFFFAOYSA-N 1 2 342.443 3.921 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2ccc(F)nc2)c1 ZINC000189160050 1040186599 /nfs/dbraw/zinc/18/65/99/1040186599.db2.gz CCZHUTKVHOIBRH-UHFFFAOYSA-N 1 2 342.443 3.921 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000154134758 1040195137 /nfs/dbraw/zinc/19/51/37/1040195137.db2.gz LUHWPMISHBOPCO-UHFFFAOYSA-N 1 2 347.418 3.630 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000051965441 1040202882 /nfs/dbraw/zinc/20/28/82/1040202882.db2.gz UULGNFSPLYFMMQ-UHFFFAOYSA-N 1 2 330.453 3.913 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000051965441 1040202889 /nfs/dbraw/zinc/20/28/89/1040202889.db2.gz UULGNFSPLYFMMQ-UHFFFAOYSA-N 1 2 330.453 3.913 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3nc4cc(Cl)ccc4o3)no2)C[C@H](C)O1 ZINC000899258777 1040252255 /nfs/dbraw/zinc/25/22/55/1040252255.db2.gz UYPUYDGQAFNNQM-PHIMTYICSA-N 1 2 347.802 3.745 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3nc4cc(Cl)ccc4o3)no2)C[C@H](C)O1 ZINC000899258777 1040252273 /nfs/dbraw/zinc/25/22/73/1040252273.db2.gz UYPUYDGQAFNNQM-PHIMTYICSA-N 1 2 347.802 3.745 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000092706976 1040257405 /nfs/dbraw/zinc/25/74/05/1040257405.db2.gz ZOVTXLVFSYMFJW-CYBMUJFWSA-N 1 2 346.368 3.581 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000092706976 1040257417 /nfs/dbraw/zinc/25/74/17/1040257417.db2.gz ZOVTXLVFSYMFJW-CYBMUJFWSA-N 1 2 346.368 3.581 20 0 EHADLO Cc1cccn2c(CNc3ccc(C(=O)NC(C)(C)C)cc3)c[nH+]c12 ZINC000512622531 1040290812 /nfs/dbraw/zinc/29/08/12/1040290812.db2.gz NDQAZRJGGUCNRP-UHFFFAOYSA-N 1 2 336.439 3.783 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246380947 1040319679 /nfs/dbraw/zinc/31/96/79/1040319679.db2.gz HLLAOYGMLJDWPH-ACJLOTCBSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246380947 1040319697 /nfs/dbraw/zinc/31/96/97/1040319697.db2.gz HLLAOYGMLJDWPH-ACJLOTCBSA-N 1 2 330.453 3.669 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(C(C)C)n1)c1ccccc1 ZINC000152123422 1040322167 /nfs/dbraw/zinc/32/21/67/1040322167.db2.gz YUWJDDZRVGVLLJ-BBRMVZONSA-N 1 2 332.469 3.907 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1csc(C(C)C)n1)c1ccccc1 ZINC000152123183 1040322763 /nfs/dbraw/zinc/32/27/63/1040322763.db2.gz YUWJDDZRVGVLLJ-CZUORRHYSA-N 1 2 332.469 3.907 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1nccs1 ZINC000167833451 1040338928 /nfs/dbraw/zinc/33/89/28/1040338928.db2.gz VGUKXAQLALKYPL-VIFPVBQESA-N 1 2 339.258 3.691 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)cnc12 ZINC000668673328 1040386520 /nfs/dbraw/zinc/38/65/20/1040386520.db2.gz NPGMYOBFUGEESJ-SFHVURJKSA-N 1 2 337.423 3.589 20 0 EHADLO Cc1cccn2c(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)cnc12 ZINC000668673328 1040386532 /nfs/dbraw/zinc/38/65/32/1040386532.db2.gz NPGMYOBFUGEESJ-SFHVURJKSA-N 1 2 337.423 3.589 20 0 EHADLO c1ccc(Oc2cccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)c2)cc1 ZINC000511649903 1040409119 /nfs/dbraw/zinc/40/91/19/1040409119.db2.gz QPDINHLUPWTRSV-LEWJYISDSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2cccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)c2)cc1 ZINC000511649903 1040409130 /nfs/dbraw/zinc/40/91/30/1040409130.db2.gz QPDINHLUPWTRSV-LEWJYISDSA-N 1 2 339.435 3.859 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000669041621 1040417614 /nfs/dbraw/zinc/41/76/14/1040417614.db2.gz NNRYHCGSHOTJIS-ZACQAIPSSA-N 1 2 341.455 3.823 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000473466226 1040437047 /nfs/dbraw/zinc/43/70/47/1040437047.db2.gz YWSLWSMMFIEODN-ZACQAIPSSA-N 1 2 340.471 3.507 20 0 EHADLO CSc1cccc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)c1 ZINC000663921292 1040445995 /nfs/dbraw/zinc/44/59/95/1040445995.db2.gz JPQAIIFSVMLJON-CYBMUJFWSA-N 1 2 327.453 3.599 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1ccn(C)n1 ZINC000490311773 1040491046 /nfs/dbraw/zinc/49/10/46/1040491046.db2.gz AXHSJNPWWQQJJC-MRXNPFEDSA-N 1 2 330.476 3.871 20 0 EHADLO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000553833357 1040494053 /nfs/dbraw/zinc/49/40/53/1040494053.db2.gz WOLZVBOCJSSAKE-HNNXBMFYSA-N 1 2 325.437 3.735 20 0 EHADLO CCn1nc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1C1CC1 ZINC000908533232 1040499880 /nfs/dbraw/zinc/49/98/80/1040499880.db2.gz ISDLBMUCHHLZQB-UHFFFAOYSA-N 1 2 349.438 3.647 20 0 EHADLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000553828817 1040510151 /nfs/dbraw/zinc/51/01/51/1040510151.db2.gz NMANILCITIFAGF-MWLCHTKSSA-N 1 2 335.860 3.738 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000433041385 1040528985 /nfs/dbraw/zinc/52/89/85/1040528985.db2.gz WGLLDSKKORKHMC-RDTXWAMCSA-N 1 2 346.858 3.603 20 0 EHADLO O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000481234943 1040535250 /nfs/dbraw/zinc/53/52/50/1040535250.db2.gz ZUTZPVYRYJUIAL-UHFFFAOYSA-N 1 2 347.418 3.973 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(CCCCC3)CC2)c(C)[nH+]1 ZINC000411207546 1040559584 /nfs/dbraw/zinc/55/95/84/1040559584.db2.gz GGBDZCXXWRTSGW-UHFFFAOYSA-N 1 2 343.471 3.518 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155252212 1040563806 /nfs/dbraw/zinc/56/38/06/1040563806.db2.gz OQEHOYJYFWOABX-KRWDZBQOSA-N 1 2 345.487 3.772 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000555431874 1040580806 /nfs/dbraw/zinc/58/08/06/1040580806.db2.gz VYKOJTVMRBXXKX-HXUWFJFHSA-N 1 2 339.483 3.808 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000555431874 1040580824 /nfs/dbraw/zinc/58/08/24/1040580824.db2.gz VYKOJTVMRBXXKX-HXUWFJFHSA-N 1 2 339.483 3.808 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000913141223 1040604785 /nfs/dbraw/zinc/60/47/85/1040604785.db2.gz IEPJAAWHNHTYMM-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000913141223 1040604791 /nfs/dbraw/zinc/60/47/91/1040604791.db2.gz IEPJAAWHNHTYMM-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO Brc1ccc2oc(C[N@@H+]3CCc4nccnc4C3)cc2c1 ZINC000668734453 1040682192 /nfs/dbraw/zinc/68/21/92/1040682192.db2.gz HPVLCNFHJBGSIP-UHFFFAOYSA-N 1 2 344.212 3.544 20 0 EHADLO Brc1ccc2oc(C[N@H+]3CCc4nccnc4C3)cc2c1 ZINC000668734453 1040682201 /nfs/dbraw/zinc/68/22/01/1040682201.db2.gz HPVLCNFHJBGSIP-UHFFFAOYSA-N 1 2 344.212 3.544 20 0 EHADLO Cc1cc(C)c(CNc2nc(Cl)nc3c2cnn3C(C)C)c[nH+]1 ZINC000894117277 1040723318 /nfs/dbraw/zinc/72/33/18/1040723318.db2.gz CLIOTPAYDQSJCE-UHFFFAOYSA-N 1 2 330.823 3.685 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000600168376 1040754618 /nfs/dbraw/zinc/75/46/18/1040754618.db2.gz IFRLQHAOGHGYNC-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000600168376 1040754633 /nfs/dbraw/zinc/75/46/33/1040754633.db2.gz IFRLQHAOGHGYNC-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO Fc1cccn2cc(C[NH+]3CCC4(C=Cc5ccccc5O4)CC3)nc12 ZINC000668758291 1040795334 /nfs/dbraw/zinc/79/53/34/1040795334.db2.gz VUDDVPSXADCPQK-UHFFFAOYSA-N 1 2 349.409 3.914 20 0 EHADLO COC(=O)COc1ccc(C[N@H+](C)Cc2cscc2Cl)cc1 ZINC000614250640 1040837624 /nfs/dbraw/zinc/83/76/24/1040837624.db2.gz JPNHFFQHRRDFAL-UHFFFAOYSA-N 1 2 339.844 3.585 20 0 EHADLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cscc2Cl)cc1 ZINC000614250640 1040837637 /nfs/dbraw/zinc/83/76/37/1040837637.db2.gz JPNHFFQHRRDFAL-UHFFFAOYSA-N 1 2 339.844 3.585 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000668769083 1040858179 /nfs/dbraw/zinc/85/81/79/1040858179.db2.gz WCZQOKABVRIFNT-WFASDCNBSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000668769083 1040858186 /nfs/dbraw/zinc/85/81/86/1040858186.db2.gz WCZQOKABVRIFNT-WFASDCNBSA-N 1 2 339.361 3.618 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)c1=S ZINC000151412567 1040858268 /nfs/dbraw/zinc/85/82/68/1040858268.db2.gz QRPZUVVSAMRNOX-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)c1=S ZINC000151412567 1040858276 /nfs/dbraw/zinc/85/82/76/1040858276.db2.gz QRPZUVVSAMRNOX-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000092836880 1040897248 /nfs/dbraw/zinc/89/72/48/1040897248.db2.gz SFSLFVKQFGYVEH-UHFFFAOYSA-N 1 2 346.290 3.676 20 0 EHADLO Cc1cc(CNc2cnn(Cc3ccncc3)c2)c2c([nH+]1)CCCC2 ZINC000893348777 1040898298 /nfs/dbraw/zinc/89/82/98/1040898298.db2.gz XWOMHSNEPPPAOL-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c(C)[nH+]1 ZINC000909254635 1040900520 /nfs/dbraw/zinc/90/05/20/1040900520.db2.gz JXKZXIAYFMLMOJ-HUUCEWRRSA-N 1 2 330.453 3.718 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000582119423 1040926886 /nfs/dbraw/zinc/92/68/86/1040926886.db2.gz UCOCVFQMFWJHLB-DAWZGUTISA-N 1 2 346.519 3.693 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000668781688 1040931592 /nfs/dbraw/zinc/93/15/92/1040931592.db2.gz BWOMQBOQZZLOLY-IVMQYODDSA-N 1 2 341.499 3.503 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccc(C)cc3F)CC2)s1 ZINC000433168924 1040960196 /nfs/dbraw/zinc/96/01/96/1040960196.db2.gz UXVZDWFOAPZHTC-UHFFFAOYSA-N 1 2 347.459 3.717 20 0 EHADLO Cc1[nH+]c2cc(OCc3nc(C(F)(F)F)cs3)ccc2n1C ZINC000664046783 1040971527 /nfs/dbraw/zinc/97/15/27/1040971527.db2.gz PZPYGPKMUVDAQH-UHFFFAOYSA-N 1 2 327.331 3.936 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911491 1040975383 /nfs/dbraw/zinc/97/53/83/1040975383.db2.gz VLMATVQDJPUUBY-KBPBESRZSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@H+]2[C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911491 1040975397 /nfs/dbraw/zinc/97/53/97/1040975397.db2.gz VLMATVQDJPUUBY-KBPBESRZSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1[nH+]c2cc(OCc3nc([C@@H](C)OCC(C)C)no3)ccc2n1C ZINC000664052595 1041001646 /nfs/dbraw/zinc/00/16/46/1041001646.db2.gz ATGQQHYVSNPSKE-GFCCVEGCSA-N 1 2 344.415 3.577 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(COCC4CC4)c3)[nH+]c12 ZINC000586755708 1041002252 /nfs/dbraw/zinc/00/22/52/1041002252.db2.gz AIQQYGJWKZUWSX-UHFFFAOYSA-N 1 2 349.434 3.751 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]1CF ZINC000555696901 1041021947 /nfs/dbraw/zinc/02/19/47/1041021947.db2.gz MULWBAAYAYKOLX-VQIMIIECSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]1CF ZINC000555696901 1041021960 /nfs/dbraw/zinc/02/19/60/1041021960.db2.gz MULWBAAYAYKOLX-VQIMIIECSA-N 1 2 340.442 3.715 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C)c(O)c2)c(C)c1 ZINC000500311697 1041030679 /nfs/dbraw/zinc/03/06/79/1041030679.db2.gz CREGMNXEFUQKFB-LJQANCHMSA-N 1 2 349.434 3.685 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2CCCCCC2)CC1 ZINC000586799328 1041031553 /nfs/dbraw/zinc/03/15/53/1041031553.db2.gz BDPLGUMCTJNCMZ-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]3CCCC[C@H]31)C2 ZINC000364386325 1041081015 /nfs/dbraw/zinc/08/10/15/1041081015.db2.gz MXIWCSSOGBNOSD-HDMKZQKVSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 ZINC000364386325 1041081032 /nfs/dbraw/zinc/08/10/32/1041081032.db2.gz MXIWCSSOGBNOSD-HDMKZQKVSA-N 1 2 329.488 3.819 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842324 1041090240 /nfs/dbraw/zinc/09/02/40/1041090240.db2.gz BRCUFRKXDWMIHL-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842324 1041090258 /nfs/dbraw/zinc/09/02/58/1041090258.db2.gz BRCUFRKXDWMIHL-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO COCCC1(C[NH2+][C@@H](Cc2ccc(C)cc2)C(=O)OC)CCCCC1 ZINC000481591499 1041118083 /nfs/dbraw/zinc/11/80/83/1041118083.db2.gz LPLVBNKOLFZUOY-IBGZPJMESA-N 1 2 347.499 3.656 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000570964883 1041127134 /nfs/dbraw/zinc/12/71/34/1041127134.db2.gz DJIXOSOFCPXSRN-CQSZACIVSA-N 1 2 343.414 3.982 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000570964883 1041127142 /nfs/dbraw/zinc/12/71/42/1041127142.db2.gz DJIXOSOFCPXSRN-CQSZACIVSA-N 1 2 343.414 3.982 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000487836059 1041139340 /nfs/dbraw/zinc/13/93/40/1041139340.db2.gz DYKNQYAZGSKOHK-HNBVOPMISA-N 1 2 349.478 3.559 20 0 EHADLO Cc1ccc(F)cc1-c1noc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000364403753 1041190970 /nfs/dbraw/zinc/19/09/70/1041190970.db2.gz OQGWUWFPVSNYEV-CQSZACIVSA-N 1 2 338.386 3.963 20 0 EHADLO Cc1[nH]c(CNc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)[nH+]c1C ZINC000571179423 1041193903 /nfs/dbraw/zinc/19/39/03/1041193903.db2.gz OEBWDPXEFPWVKF-UHFFFAOYSA-N 1 2 347.484 3.663 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)[nH]1 ZINC000660418207 1041198790 /nfs/dbraw/zinc/19/87/90/1041198790.db2.gz JVFWOMKYOAXCAG-LLVKDONJSA-N 1 2 337.265 3.631 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)[nH]1 ZINC000660418207 1041198795 /nfs/dbraw/zinc/19/87/95/1041198795.db2.gz JVFWOMKYOAXCAG-LLVKDONJSA-N 1 2 337.265 3.631 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCc4ccsc4C3)n2)c(F)c1 ZINC000487950634 1041200556 /nfs/dbraw/zinc/20/05/56/1041200556.db2.gz PWYYCKPTYQWDAH-UHFFFAOYSA-N 1 2 331.391 3.770 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCc4ccsc4C3)n2)c(F)c1 ZINC000487950634 1041200576 /nfs/dbraw/zinc/20/05/76/1041200576.db2.gz PWYYCKPTYQWDAH-UHFFFAOYSA-N 1 2 331.391 3.770 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000555841980 1041212463 /nfs/dbraw/zinc/21/24/63/1041212463.db2.gz VNIYZQJPYNLGFV-HZPDHXFCSA-N 1 2 333.476 3.817 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000364423058 1041264276 /nfs/dbraw/zinc/26/42/76/1041264276.db2.gz VUHMZICSPVZONE-QFBILLFUSA-N 1 2 335.451 3.514 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000419340631 1041419513 /nfs/dbraw/zinc/41/95/13/1041419513.db2.gz ZBMGUWGKIPDSRD-UHFFFAOYSA-N 1 2 340.345 3.885 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc(-c2ccsc2)ns1)c1ccccc1 ZINC000109695585 1041463706 /nfs/dbraw/zinc/46/37/06/1041463706.db2.gz WTMDQDCVDYDYAD-ZDUSSCGKSA-N 1 2 344.465 3.508 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000432092659 1041582794 /nfs/dbraw/zinc/58/27/94/1041582794.db2.gz QAFCVOPXMLYKJI-WBVHZDCISA-N 1 2 343.471 3.510 20 0 EHADLO Fc1cc(CNc2ccc[nH+]c2N2CCOCC2)ccc1C(F)F ZINC000893388992 1041595987 /nfs/dbraw/zinc/59/59/87/1041595987.db2.gz QJWWNOCSTTYKFR-UHFFFAOYSA-N 1 2 337.345 3.607 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1sncc1Br ZINC001167767720 1041623566 /nfs/dbraw/zinc/62/35/66/1041623566.db2.gz ZZSDEAJISAJCIU-STQMWFEESA-N 1 2 347.322 3.931 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1sncc1Br ZINC001167767720 1041623569 /nfs/dbraw/zinc/62/35/69/1041623569.db2.gz ZZSDEAJISAJCIU-STQMWFEESA-N 1 2 347.322 3.931 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111476758 1041656696 /nfs/dbraw/zinc/65/66/96/1041656696.db2.gz FVBKMFQXIQMOFY-QRWLVFNGSA-N 1 2 346.434 3.605 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629579 1041739409 /nfs/dbraw/zinc/73/94/09/1041739409.db2.gz CNBSXKJVWBEGEG-KGLIPLIRSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660629579 1041739414 /nfs/dbraw/zinc/73/94/14/1041739414.db2.gz CNBSXKJVWBEGEG-KGLIPLIRSA-N 1 2 345.393 3.566 20 0 EHADLO Cc1cc(C)n(CC[N@@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708661 1041780844 /nfs/dbraw/zinc/78/08/44/1041780844.db2.gz TUAXZORWGAQIPO-ZDUSSCGKSA-N 1 2 331.851 3.723 20 0 EHADLO Cc1cc(C)n(CC[N@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708661 1041780845 /nfs/dbraw/zinc/78/08/45/1041780845.db2.gz TUAXZORWGAQIPO-ZDUSSCGKSA-N 1 2 331.851 3.723 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCOCC(F)(F)F ZINC000660709570 1041786168 /nfs/dbraw/zinc/78/61/68/1041786168.db2.gz MERJOQKZEZMNNL-VIFPVBQESA-N 1 2 335.757 3.788 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCOCC(F)(F)F ZINC000660709570 1041786174 /nfs/dbraw/zinc/78/61/74/1041786174.db2.gz MERJOQKZEZMNNL-VIFPVBQESA-N 1 2 335.757 3.788 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749626 1041804110 /nfs/dbraw/zinc/80/41/10/1041804110.db2.gz MFVBXZRJUGMUCF-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749626 1041804114 /nfs/dbraw/zinc/80/41/14/1041804114.db2.gz MFVBXZRJUGMUCF-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000660852017 1041848922 /nfs/dbraw/zinc/84/89/22/1041848922.db2.gz CWFPOEADEGOWOC-UHFFFAOYSA-N 1 2 339.443 3.524 20 0 EHADLO CCCC[C@@H](CC)CCCN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661044839 1041917471 /nfs/dbraw/zinc/91/74/71/1041917471.db2.gz JUVWXDLZGUIUPO-SJORKVTESA-N 1 2 334.508 3.836 20 0 EHADLO Cc1csc([C@H](C)CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)n1 ZINC000302146745 1041920122 /nfs/dbraw/zinc/92/01/22/1041920122.db2.gz RLHOQRGKAWQFFQ-CHWSQXEVSA-N 1 2 331.489 3.693 20 0 EHADLO Cc1csc([C@H](C)CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)n1 ZINC000302146745 1041920128 /nfs/dbraw/zinc/92/01/28/1041920128.db2.gz RLHOQRGKAWQFFQ-CHWSQXEVSA-N 1 2 331.489 3.693 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1F ZINC000651723398 1041964914 /nfs/dbraw/zinc/96/49/14/1041964914.db2.gz NFGAUSZZETZBOV-MRXNPFEDSA-N 1 2 336.432 3.849 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2ccco2)CC1 ZINC000661160911 1041975213 /nfs/dbraw/zinc/97/52/13/1041975213.db2.gz GLSDBPZHQYWPNG-CQSZACIVSA-N 1 2 333.453 3.624 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000661371773 1042089544 /nfs/dbraw/zinc/08/95/44/1042089544.db2.gz PXMUKRPOMIQUBJ-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000661371773 1042089549 /nfs/dbraw/zinc/08/95/49/1042089549.db2.gz PXMUKRPOMIQUBJ-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661427373 1042115904 /nfs/dbraw/zinc/11/59/04/1042115904.db2.gz ZTQBJCBPPHNGMD-HNNXBMFYSA-N 1 2 331.485 3.541 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513790 1042159452 /nfs/dbraw/zinc/15/94/52/1042159452.db2.gz LBAMLOYOLPCGOG-DNVCBOLYSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513790 1042159456 /nfs/dbraw/zinc/15/94/56/1042159456.db2.gz LBAMLOYOLPCGOG-DNVCBOLYSA-N 1 2 326.415 3.792 20 0 EHADLO COc1cncc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000661542569 1042179770 /nfs/dbraw/zinc/17/97/70/1042179770.db2.gz YDKMSCJFNRMNCJ-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1cncc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000661542569 1042179773 /nfs/dbraw/zinc/17/97/73/1042179773.db2.gz YDKMSCJFNRMNCJ-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nc(C3CC3)no2)cc1 ZINC000661553466 1042183611 /nfs/dbraw/zinc/18/36/11/1042183611.db2.gz DJAKGPFUMAINOZ-FKEKPDDDSA-N 1 2 325.412 3.521 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(C3CC3)no2)cc1 ZINC000661553466 1042183613 /nfs/dbraw/zinc/18/36/13/1042183613.db2.gz DJAKGPFUMAINOZ-FKEKPDDDSA-N 1 2 325.412 3.521 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661556228 1042187041 /nfs/dbraw/zinc/18/70/41/1042187041.db2.gz GJLGFCKVBBMQDG-DOTOQJQBSA-N 1 2 342.487 3.828 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889549 1042205267 /nfs/dbraw/zinc/20/52/67/1042205267.db2.gz QQZWNPWHTNLWKY-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000047931765 1042267960 /nfs/dbraw/zinc/26/79/60/1042267960.db2.gz PSHUUEQNULFABF-CQSZACIVSA-N 1 2 339.370 3.633 20 0 EHADLO CC(C)C[C@@H]1COCC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000893494895 1042274606 /nfs/dbraw/zinc/27/46/06/1042274606.db2.gz UVEWYVBIZWUSKF-RTBURBONSA-N 1 2 342.439 3.539 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661733560 1042287172 /nfs/dbraw/zinc/28/71/72/1042287172.db2.gz ILSLJYSUUJCLLZ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661733560 1042287180 /nfs/dbraw/zinc/28/71/80/1042287180.db2.gz ILSLJYSUUJCLLZ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1cc([C@H]([NH2+]CC(=O)N2CCC2)c2ccccc2Cl)ccc1F ZINC000487361906 1042310803 /nfs/dbraw/zinc/31/08/03/1042310803.db2.gz GDUYWGMXLDQAOX-IBGZPJMESA-N 1 2 346.833 3.699 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798648 1042336511 /nfs/dbraw/zinc/33/65/11/1042336511.db2.gz OQPOENOGPABKAB-ACJLOTCBSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798648 1042336520 /nfs/dbraw/zinc/33/65/20/1042336520.db2.gz OQPOENOGPABKAB-ACJLOTCBSA-N 1 2 334.847 3.949 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854720 1042365871 /nfs/dbraw/zinc/36/58/71/1042365871.db2.gz PGKJLRAKDAITNE-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854720 1042365876 /nfs/dbraw/zinc/36/58/76/1042365876.db2.gz PGKJLRAKDAITNE-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000652330369 1042373946 /nfs/dbraw/zinc/37/39/46/1042373946.db2.gz DOMZPVWWWGHYOA-GOSISDBHSA-N 1 2 334.423 3.903 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000661878528 1042384581 /nfs/dbraw/zinc/38/45/81/1042384581.db2.gz NWRMZJXDXBOYQV-NEPJUHHUSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000661878528 1042384584 /nfs/dbraw/zinc/38/45/84/1042384584.db2.gz NWRMZJXDXBOYQV-NEPJUHHUSA-N 1 2 334.407 3.943 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000909383031 1042390294 /nfs/dbraw/zinc/39/02/94/1042390294.db2.gz GDAPADYUPLCYEP-DLBZAZTESA-N 1 2 340.471 3.646 20 0 EHADLO CCc1ccc(-c2noc(C[NH+]3CCC4(CCCC4=O)CC3)n2)cc1 ZINC000661953672 1042428789 /nfs/dbraw/zinc/42/87/89/1042428789.db2.gz QLWVZINLLQPPDX-UHFFFAOYSA-N 1 2 339.439 3.634 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000661982558 1042443993 /nfs/dbraw/zinc/44/39/93/1042443993.db2.gz ZIDHGENAFRMDMT-MRXNPFEDSA-N 1 2 339.439 3.802 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000661982558 1042443995 /nfs/dbraw/zinc/44/39/95/1042443995.db2.gz ZIDHGENAFRMDMT-MRXNPFEDSA-N 1 2 339.439 3.802 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC4(CCCC4)OC[C@H]3C)o2)cc1 ZINC000661982060 1042444101 /nfs/dbraw/zinc/44/41/01/1042444101.db2.gz CRMOXVKZJNJLCK-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC4(CCCC4)OC[C@H]3C)o2)cc1 ZINC000661982060 1042444104 /nfs/dbraw/zinc/44/41/04/1042444104.db2.gz CRMOXVKZJNJLCK-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997672 1042454892 /nfs/dbraw/zinc/45/48/92/1042454892.db2.gz MXSDAQGWNGGDSU-AWEZNQCLSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997672 1042454896 /nfs/dbraw/zinc/45/48/96/1042454896.db2.gz MXSDAQGWNGGDSU-AWEZNQCLSA-N 1 2 339.439 3.689 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000662050047 1042482945 /nfs/dbraw/zinc/48/29/45/1042482945.db2.gz NUYWXMXZRGMFHF-UHFFFAOYSA-N 1 2 327.428 3.553 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662188805 1042572463 /nfs/dbraw/zinc/57/24/63/1042572463.db2.gz BERYARWBBOGKBM-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662188805 1042572469 /nfs/dbraw/zinc/57/24/69/1042572469.db2.gz BERYARWBBOGKBM-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2c(c1)CCC2 ZINC000008038612 1042582383 /nfs/dbraw/zinc/58/23/83/1042582383.db2.gz FQOGVXBUUQCTBE-UHFFFAOYSA-N 1 2 341.480 3.870 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)co2)cc1 ZINC000025573609 1042599518 /nfs/dbraw/zinc/59/95/18/1042599518.db2.gz YGEHGJOONSFASY-UHFFFAOYSA-N 1 2 349.434 3.678 20 0 EHADLO CCCn1nccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000663256329 1042604115 /nfs/dbraw/zinc/60/41/15/1042604115.db2.gz MKTFIXQEZURGMX-UHFFFAOYSA-N 1 2 334.221 3.544 20 0 EHADLO CCCn1nccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000663256329 1042604118 /nfs/dbraw/zinc/60/41/18/1042604118.db2.gz MKTFIXQEZURGMX-UHFFFAOYSA-N 1 2 334.221 3.544 20 0 EHADLO CC(C)O[C@@H](C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227712 1042617301 /nfs/dbraw/zinc/61/73/01/1042617301.db2.gz PYLZOTRQRPRERE-HOTGVXAUSA-N 1 2 331.378 3.806 20 0 EHADLO CC(C)O[C@@H](C[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227712 1042617302 /nfs/dbraw/zinc/61/73/02/1042617302.db2.gz PYLZOTRQRPRERE-HOTGVXAUSA-N 1 2 331.378 3.806 20 0 EHADLO Cc1cc(Cl)cc(Cl)c1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001167796965 1042661506 /nfs/dbraw/zinc/66/15/06/1042661506.db2.gz ZLJDICRYBGGZLG-UHFFFAOYSA-N 1 2 337.254 3.692 20 0 EHADLO Cc1cc(Cl)cc(Cl)c1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001167796965 1042661509 /nfs/dbraw/zinc/66/15/09/1042661509.db2.gz ZLJDICRYBGGZLG-UHFFFAOYSA-N 1 2 337.254 3.692 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298606 1042665850 /nfs/dbraw/zinc/66/58/50/1042665850.db2.gz PBWXFBZLEZIGNB-SFHVURJKSA-N 1 2 330.378 3.573 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298606 1042665853 /nfs/dbraw/zinc/66/58/53/1042665853.db2.gz PBWXFBZLEZIGNB-SFHVURJKSA-N 1 2 330.378 3.573 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cs1 ZINC000165252087 1042736904 /nfs/dbraw/zinc/73/69/04/1042736904.db2.gz OCPDAZZDIVEEET-WCQYABFASA-N 1 2 336.505 3.961 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c(OC)c1 ZINC000165265533 1042757054 /nfs/dbraw/zinc/75/70/54/1042757054.db2.gz HXGVIOUGXNFUMB-VXGBXAGGSA-N 1 2 336.457 3.719 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2sccc2Br)c1 ZINC000278866954 1042763562 /nfs/dbraw/zinc/76/35/62/1042763562.db2.gz WSHNTGXFKOWZDT-MRVPVSSYSA-N 1 2 344.230 3.741 20 0 EHADLO CC1(C)C[C@@]1(C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000663476328 1042906787 /nfs/dbraw/zinc/90/67/87/1042906787.db2.gz BQLSNPOEAMMMKI-WIYYLYMNSA-N 1 2 332.451 3.852 20 0 EHADLO CCc1cc(N2CCC(n3cc[nH+]c3)CC2)nnc1-c1ccccc1 ZINC000663481037 1042920586 /nfs/dbraw/zinc/92/05/86/1042920586.db2.gz FZVQKUOJRNAHSR-UHFFFAOYSA-N 1 2 333.439 3.744 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(OC(F)F)cc1 ZINC000044070579 1042948914 /nfs/dbraw/zinc/94/89/14/1042948914.db2.gz LIUFNGFBPXMVIP-UHFFFAOYSA-N 1 2 335.310 3.563 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(OC(F)F)cc1 ZINC000044070579 1042948920 /nfs/dbraw/zinc/94/89/20/1042948920.db2.gz LIUFNGFBPXMVIP-UHFFFAOYSA-N 1 2 335.310 3.563 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2cc[nH+]c(OCc3ccccc3)c2)CC1 ZINC001167827943 1042974138 /nfs/dbraw/zinc/97/41/38/1042974138.db2.gz VXJKBYYZWXUICO-QAQDUYKDSA-N 1 2 340.423 3.804 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000424810554 1042975984 /nfs/dbraw/zinc/97/59/84/1042975984.db2.gz NXXYNEAKINIPNQ-HKUYNNGSSA-N 1 2 339.483 3.703 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000424810557 1042976269 /nfs/dbraw/zinc/97/62/69/1042976269.db2.gz NXXYNEAKINIPNQ-PKOBYXMFSA-N 1 2 339.483 3.703 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(Cc2ccccc2F)CC1 ZINC000343974087 1042986550 /nfs/dbraw/zinc/98/65/50/1042986550.db2.gz IMXUCGKCYRYKPC-UHFFFAOYSA-N 1 2 335.382 3.973 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3nccc4sccc43)CC2)sc1C ZINC000344018326 1043110456 /nfs/dbraw/zinc/11/04/56/1043110456.db2.gz VZADFADKHQQIAA-UHFFFAOYSA-N 1 2 344.509 3.692 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000278977810 1043117676 /nfs/dbraw/zinc/11/76/76/1043117676.db2.gz PDHQKWIKLORVDA-HNNXBMFYSA-N 1 2 346.452 3.534 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000278977810 1043117677 /nfs/dbraw/zinc/11/76/77/1043117677.db2.gz PDHQKWIKLORVDA-HNNXBMFYSA-N 1 2 346.452 3.534 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)N1CCCCCC1 ZINC000279014644 1043200305 /nfs/dbraw/zinc/20/03/05/1043200305.db2.gz VIKIDRXAQNAHCJ-WDEREUQCSA-N 1 2 349.422 3.604 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cnn(-c3ccccc3)c2)s1 ZINC000279033230 1043226279 /nfs/dbraw/zinc/22/62/79/1043226279.db2.gz BOZIGALRAFHNTI-UHFFFAOYSA-N 1 2 326.469 3.916 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000344098251 1043240335 /nfs/dbraw/zinc/24/03/35/1043240335.db2.gz YGYYMRLAOVFEFZ-VBQJREDUSA-N 1 2 345.443 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000344098251 1043240343 /nfs/dbraw/zinc/24/03/43/1043240343.db2.gz YGYYMRLAOVFEFZ-VBQJREDUSA-N 1 2 345.443 3.759 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000279044777 1043249185 /nfs/dbraw/zinc/24/91/85/1043249185.db2.gz XXPFJLQOIBWJHW-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344101139 1043250797 /nfs/dbraw/zinc/25/07/97/1043250797.db2.gz CKVKPMBLSIZMIT-LLVKDONJSA-N 1 2 345.306 3.514 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000344101139 1043250807 /nfs/dbraw/zinc/25/08/07/1043250807.db2.gz CKVKPMBLSIZMIT-LLVKDONJSA-N 1 2 345.306 3.514 20 0 EHADLO CCOc1ccccc1[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344207700 1043426723 /nfs/dbraw/zinc/42/67/23/1043426723.db2.gz IMAUZOWPQQXRMT-OAHLLOKOSA-N 1 2 335.407 3.762 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344220484 1043454328 /nfs/dbraw/zinc/45/43/28/1043454328.db2.gz LHQKBEFJJIKGJS-UHFFFAOYSA-N 1 2 348.406 3.841 20 0 EHADLO O=S(=O)(CC[N@H+](Cc1ccco1)C1CCCC1)Cc1ccccc1 ZINC000279151184 1043459318 /nfs/dbraw/zinc/45/93/18/1043459318.db2.gz AVEGVACPTZJNGC-UHFFFAOYSA-N 1 2 347.480 3.639 20 0 EHADLO O=S(=O)(CC[N@@H+](Cc1ccco1)C1CCCC1)Cc1ccccc1 ZINC000279151184 1043459327 /nfs/dbraw/zinc/45/93/27/1043459327.db2.gz AVEGVACPTZJNGC-UHFFFAOYSA-N 1 2 347.480 3.639 20 0 EHADLO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000344252510 1043521407 /nfs/dbraw/zinc/52/14/07/1043521407.db2.gz RJSMMYHMOYFGCW-GVDBMIGSSA-N 1 2 349.425 3.589 20 0 EHADLO CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000344250804 1043528851 /nfs/dbraw/zinc/52/88/51/1043528851.db2.gz LVWQVCPMIOWNTG-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC(C)(C)C)CC2)c1 ZINC000509732100 1043596202 /nfs/dbraw/zinc/59/62/02/1043596202.db2.gz BOCFPWUDGYZAKJ-MRXNPFEDSA-N 1 2 347.503 3.520 20 0 EHADLO CC[C@@H](CSC)N(C)c1cc(N(C)[C@@H](CC)CSC)[nH+]cn1 ZINC000344313681 1043651026 /nfs/dbraw/zinc/65/10/26/1043651026.db2.gz ZJCWAPFBMWOVMQ-KBPBESRZSA-N 1 2 342.578 3.632 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2c1C ZINC000606582595 1043700572 /nfs/dbraw/zinc/70/05/72/1043700572.db2.gz WCPJAINJPJERRJ-UHFFFAOYSA-N 1 2 333.395 3.754 20 0 EHADLO C[C@H]1CCN(c2cc(Cl)c3ncccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000663714363 1043788329 /nfs/dbraw/zinc/78/83/29/1043788329.db2.gz SXTUBIREADJPRA-SWLSCSKDSA-N 1 2 327.819 3.567 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644862723 1043855575 /nfs/dbraw/zinc/85/55/75/1043855575.db2.gz IKKBMIIZAYSQGL-CNNODRBYSA-N 1 2 345.446 3.778 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1OC ZINC000007729239 1043931070 /nfs/dbraw/zinc/93/10/70/1043931070.db2.gz FDWVOZIRHCMFSP-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1OC ZINC000007729239 1043931078 /nfs/dbraw/zinc/93/10/78/1043931078.db2.gz FDWVOZIRHCMFSP-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344412394 1043972696 /nfs/dbraw/zinc/97/26/96/1043972696.db2.gz RUEKVMNELQASRO-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000279435639 1044082769 /nfs/dbraw/zinc/08/27/69/1044082769.db2.gz HBNFRZCYALJJRL-GJYPPUQNSA-N 1 2 325.456 3.705 20 0 EHADLO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ncnn1-c1ccccc1)CCCO2 ZINC000279501476 1044140601 /nfs/dbraw/zinc/14/06/01/1044140601.db2.gz MPSPTTAHSKCACV-LJQANCHMSA-N 1 2 348.450 3.888 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000512210008 1044160485 /nfs/dbraw/zinc/16/04/85/1044160485.db2.gz SRWZAMTYAZQKIQ-LLVKDONJSA-N 1 2 338.776 3.919 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1cccc(F)c1)Cc1ccccc1 ZINC000279555580 1044226365 /nfs/dbraw/zinc/22/63/65/1044226365.db2.gz WYSOUZWPIJMHCQ-LJQANCHMSA-N 1 2 347.455 3.578 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Cc1ccccc1 ZINC000279555580 1044226376 /nfs/dbraw/zinc/22/63/76/1044226376.db2.gz WYSOUZWPIJMHCQ-LJQANCHMSA-N 1 2 347.455 3.578 20 0 EHADLO FC(F)Oc1cccc2nc(NCCCCn3cc[nH+]c3)sc21 ZINC000663771668 1044247205 /nfs/dbraw/zinc/24/72/05/1044247205.db2.gz OTENRNNJWDYCQC-UHFFFAOYSA-N 1 2 338.383 3.987 20 0 EHADLO CC(C)c1ncc(Cl)c(C(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000122600950 1044279959 /nfs/dbraw/zinc/27/99/59/1044279959.db2.gz HPDAQAHISPTINH-UHFFFAOYSA-N 1 2 341.802 3.691 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000344702092 1044309264 /nfs/dbraw/zinc/30/92/64/1044309264.db2.gz JDOQATLQNAAPRD-CYBMUJFWSA-N 1 2 345.443 3.907 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1ccnn1C(C)C)C[C@H]1CCCO1 ZINC000279704722 1044434666 /nfs/dbraw/zinc/43/46/66/1044434666.db2.gz SFDCWLSQNHLBGO-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1ccnn1C(C)C)C[C@H]1CCCO1 ZINC000279704722 1044434674 /nfs/dbraw/zinc/43/46/74/1044434674.db2.gz SFDCWLSQNHLBGO-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO Cc1cc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)ccn1 ZINC000432689033 1044857309 /nfs/dbraw/zinc/85/73/09/1044857309.db2.gz FVTKBJHMQQLTGT-QPJJXVBHSA-N 1 2 329.363 3.796 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000620363718 1125555107 /nfs/dbraw/zinc/55/51/07/1125555107.db2.gz YCBKDRNEGQOHTO-KKSFZXQISA-N 1 2 349.434 3.749 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000620410975 1125566868 /nfs/dbraw/zinc/56/68/68/1125566868.db2.gz SENJEHVMRDZGBH-FQEVSTJZSA-N 1 2 333.435 3.764 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153564475 1125631878 /nfs/dbraw/zinc/63/18/78/1125631878.db2.gz OZVVCYBPKQIYAS-KXBFYZLASA-N 1 2 339.439 3.568 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1SC ZINC000154496745 1125722815 /nfs/dbraw/zinc/72/28/15/1125722815.db2.gz XNWKQGFZVBMTKE-LBPRGKRZSA-N 1 2 325.474 3.579 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1SC ZINC000154496745 1125722819 /nfs/dbraw/zinc/72/28/19/1125722819.db2.gz XNWKQGFZVBMTKE-LBPRGKRZSA-N 1 2 325.474 3.579 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000155088377 1125784463 /nfs/dbraw/zinc/78/44/63/1125784463.db2.gz FSGXWBLRFRTFBT-UHFFFAOYSA-N 1 2 331.419 3.617 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000155087452 1125784583 /nfs/dbraw/zinc/78/45/83/1125784583.db2.gz SQMGALZQSMMCRE-UHFFFAOYSA-N 1 2 347.418 3.874 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(OC2CCCCC2)c1 ZINC000155126992 1125787744 /nfs/dbraw/zinc/78/77/44/1125787744.db2.gz JVVHPAFLISOMOL-UHFFFAOYSA-N 1 2 341.455 3.757 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546182 1126715846 /nfs/dbraw/zinc/71/58/46/1126715846.db2.gz KXGMWOFUUXQTCF-UHFFFAOYSA-N 1 2 348.918 3.887 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546182 1126715849 /nfs/dbraw/zinc/71/58/49/1126715849.db2.gz KXGMWOFUUXQTCF-UHFFFAOYSA-N 1 2 348.918 3.887 20 0 EHADLO CC(C)(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000622546102 1126715907 /nfs/dbraw/zinc/71/59/07/1126715907.db2.gz HEXYTGGDHOSOGC-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CC(C)(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000622546102 1126715910 /nfs/dbraw/zinc/71/59/10/1126715910.db2.gz HEXYTGGDHOSOGC-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983621 1126728932 /nfs/dbraw/zinc/72/89/32/1126728932.db2.gz VEQUWTCSOYFXAM-CJNGLKHVSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983621 1126728934 /nfs/dbraw/zinc/72/89/34/1126728934.db2.gz VEQUWTCSOYFXAM-CJNGLKHVSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC1 ZINC000622615112 1126736054 /nfs/dbraw/zinc/73/60/54/1126736054.db2.gz HJVOEXSKIGWCCP-GOSISDBHSA-N 1 2 334.891 3.809 20 0 EHADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC1 ZINC000622615112 1126736059 /nfs/dbraw/zinc/73/60/59/1126736059.db2.gz HJVOEXSKIGWCCP-GOSISDBHSA-N 1 2 334.891 3.809 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000072514046 1126746980 /nfs/dbraw/zinc/74/69/80/1126746980.db2.gz CKCWYTQBNALKSC-CZUORRHYSA-N 1 2 347.484 3.537 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000072514046 1126746984 /nfs/dbraw/zinc/74/69/84/1126746984.db2.gz CKCWYTQBNALKSC-CZUORRHYSA-N 1 2 347.484 3.537 20 0 EHADLO COCC1=CC[N@H+](Cn2ccn(-c3cc(C)cc(C)c3)c2=S)CC1 ZINC000185040419 1126747215 /nfs/dbraw/zinc/74/72/15/1126747215.db2.gz SHXSPNNNLVSRSX-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO COCC1=CC[N@@H+](Cn2ccn(-c3cc(C)cc(C)c3)c2=S)CC1 ZINC000185040419 1126747218 /nfs/dbraw/zinc/74/72/18/1126747218.db2.gz SHXSPNNNLVSRSX-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000171119274 1126751694 /nfs/dbraw/zinc/75/16/94/1126751694.db2.gz ZOEYKNQENINOIM-YJBOKZPZSA-N 1 2 336.435 3.841 20 0 EHADLO Brc1ccc(-c2c[nH]c(C[NH2+]Cc3ccoc3)n2)cc1 ZINC000171840441 1126765983 /nfs/dbraw/zinc/76/59/83/1126765983.db2.gz CJLHQMXPIOCLRW-UHFFFAOYSA-N 1 2 332.201 3.722 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000171959283 1126771916 /nfs/dbraw/zinc/77/19/16/1126771916.db2.gz JJMMAIDSDHGVMS-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000171959283 1126771917 /nfs/dbraw/zinc/77/19/17/1126771917.db2.gz JJMMAIDSDHGVMS-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO CCc1ccc(CNC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)s1 ZINC000671253162 1126819492 /nfs/dbraw/zinc/81/94/92/1126819492.db2.gz NWKWBZAVOYLNLB-UHFFFAOYSA-N 1 2 348.434 3.591 20 0 EHADLO O=C(N[C@@H](C(F)F)C1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000623006256 1126854127 /nfs/dbraw/zinc/85/41/27/1126854127.db2.gz BMTSTPMCFOXKLJ-QGZVFWFLSA-N 1 2 347.409 3.875 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000174665821 1126858649 /nfs/dbraw/zinc/85/86/49/1126858649.db2.gz INIGKYJVHHNQNR-ZDUSSCGKSA-N 1 2 340.402 3.793 20 0 EHADLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000185308317 1126861537 /nfs/dbraw/zinc/86/15/37/1126861537.db2.gz DFCODZLUXLCUTM-UHFFFAOYSA-N 1 2 332.791 3.856 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1c(F)cccc1Cl ZINC000175020130 1126865138 /nfs/dbraw/zinc/86/51/38/1126865138.db2.gz SYHQPPYKMINZEN-OLZOCXBDSA-N 1 2 334.822 3.835 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)s1)C(F)(F)F ZINC000342951750 1126873009 /nfs/dbraw/zinc/87/30/09/1126873009.db2.gz MARTYXZQIYWILP-SWLSCSKDSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)s1)C(F)(F)F ZINC000342951750 1126873012 /nfs/dbraw/zinc/87/30/12/1126873012.db2.gz MARTYXZQIYWILP-SWLSCSKDSA-N 1 2 342.386 3.698 20 0 EHADLO COc1cccc(C2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000623122552 1126881461 /nfs/dbraw/zinc/88/14/61/1126881461.db2.gz WMLFFHOAGKVHRC-UHFFFAOYSA-N 1 2 349.434 3.724 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000623173676 1126889088 /nfs/dbraw/zinc/88/90/88/1126889088.db2.gz MIESQLVEDXDLLL-UONOGXRCSA-N 1 2 325.334 3.644 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000175968074 1126890753 /nfs/dbraw/zinc/89/07/53/1126890753.db2.gz ZPXKEPOPDBAKKN-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000175968074 1126890757 /nfs/dbraw/zinc/89/07/57/1126890757.db2.gz ZPXKEPOPDBAKKN-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccccc1F)C1CCCC1 ZINC000623253829 1126903241 /nfs/dbraw/zinc/90/32/41/1126903241.db2.gz BIKXVIZHHAUBEF-UHFFFAOYSA-N 1 2 343.446 3.816 20 0 EHADLO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000185482308 1126907250 /nfs/dbraw/zinc/90/72/50/1126907250.db2.gz PXBFMUZKUVWXRE-ONGXEEELSA-N 1 2 348.256 3.742 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)CCCCC2)c1 ZINC000623309245 1126915518 /nfs/dbraw/zinc/91/55/18/1126915518.db2.gz UHVWLXXWEAIRDH-GOSISDBHSA-N 1 2 337.467 3.525 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)cn2c1 ZINC000176911627 1126959390 /nfs/dbraw/zinc/95/93/90/1126959390.db2.gz HUTFZIPNEJKTSG-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)cn2c1 ZINC000176911627 1126959394 /nfs/dbraw/zinc/95/93/94/1126959394.db2.gz HUTFZIPNEJKTSG-INIZCTEOSA-N 1 2 339.464 3.942 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)c2nccn21 ZINC000623540908 1126980598 /nfs/dbraw/zinc/98/05/98/1126980598.db2.gz NOJVXWHFVUZBGM-GXFFZTMASA-N 1 2 343.324 3.759 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000623566439 1126982175 /nfs/dbraw/zinc/98/21/75/1126982175.db2.gz QQBROHHTPSODDS-RBUKOAKNSA-N 1 2 340.492 3.504 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000178410329 1127017105 /nfs/dbraw/zinc/01/71/05/1127017105.db2.gz OAENWOKDTVACDL-KRWDZBQOSA-N 1 2 326.488 3.707 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000349403896 1127039279 /nfs/dbraw/zinc/03/92/79/1127039279.db2.gz GWAANPNIFJSVCL-GWCFXTLKSA-N 1 2 337.395 3.877 20 0 EHADLO C[C@H]([NH2+]CCc1cscn1)c1cc(Br)cc(F)c1O ZINC000185817092 1127059786 /nfs/dbraw/zinc/05/97/86/1127059786.db2.gz TZZJXZRXZCJSFP-QMMMGPOBSA-N 1 2 345.237 3.644 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000580724098 1127061453 /nfs/dbraw/zinc/06/14/53/1127061453.db2.gz UCIQTBDFWRGBRO-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000580724098 1127061457 /nfs/dbraw/zinc/06/14/57/1127061457.db2.gz UCIQTBDFWRGBRO-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000179525307 1127068861 /nfs/dbraw/zinc/06/88/61/1127068861.db2.gz CWZYDRUGXHZIQK-KBPBESRZSA-N 1 2 333.432 3.805 20 0 EHADLO FC(F)Oc1ccc(C[NH+]2CCSCC2)cc1Br ZINC000179666132 1127079103 /nfs/dbraw/zinc/07/91/03/1127079103.db2.gz FWCGWULZCUZQIN-UHFFFAOYSA-N 1 2 338.217 3.599 20 0 EHADLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)c1 ZINC000179668803 1127080018 /nfs/dbraw/zinc/08/00/18/1127080018.db2.gz UBAQFNYRHWZUPR-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO c1cc2n(c1)CCN(Cc1cccc3[nH+]ccn31)[C@@H]2c1ccccc1 ZINC000179717227 1127083210 /nfs/dbraw/zinc/08/32/10/1127083210.db2.gz XDVPQKUAJVSZOE-OAQYLSRUSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3nccn31)[C@@H]2c1ccccc1 ZINC000179717227 1127083213 /nfs/dbraw/zinc/08/32/13/1127083213.db2.gz XDVPQKUAJVSZOE-OAQYLSRUSA-N 1 2 328.419 3.741 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3nccn31)[C@@H]2c1ccccc1 ZINC000179717227 1127083215 /nfs/dbraw/zinc/08/32/15/1127083215.db2.gz XDVPQKUAJVSZOE-OAQYLSRUSA-N 1 2 328.419 3.741 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000179738884 1127085454 /nfs/dbraw/zinc/08/54/54/1127085454.db2.gz YTZOVNWCTYUXBP-OAHLLOKOSA-N 1 2 327.384 3.969 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179937714 1127102139 /nfs/dbraw/zinc/10/21/39/1127102139.db2.gz PLPICQAXFFJBMS-CQSZACIVSA-N 1 2 344.430 3.994 20 0 EHADLO Cc1ccc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)[nH]n2)cc1 ZINC000351111105 1127142002 /nfs/dbraw/zinc/14/20/02/1127142002.db2.gz WRFYKMANKSKKNB-UHFFFAOYSA-N 1 2 342.362 3.750 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000180497906 1127166430 /nfs/dbraw/zinc/16/64/30/1127166430.db2.gz JRGBISMCMLNYBT-GFCCVEGCSA-N 1 2 330.394 3.570 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000180497906 1127166432 /nfs/dbraw/zinc/16/64/32/1127166432.db2.gz JRGBISMCMLNYBT-GFCCVEGCSA-N 1 2 330.394 3.570 20 0 EHADLO CCCOc1ccc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cc1OC ZINC000351399328 1127176615 /nfs/dbraw/zinc/17/66/15/1127176615.db2.gz AWEJNRXUNCRWDY-CYBMUJFWSA-N 1 2 342.399 3.534 20 0 EHADLO COc1ccc([C@@H](CN[C@H](C)c2nc(C)cs2)[NH+]2CCCC2)cc1 ZINC000623851999 1127202445 /nfs/dbraw/zinc/20/24/45/1127202445.db2.gz NFPAFDRWNMHMNQ-CRAIPNDOSA-N 1 2 345.512 3.948 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623925603 1127217666 /nfs/dbraw/zinc/21/76/66/1127217666.db2.gz KGFSXPBPUHEHBJ-IUCAKERBSA-N 1 2 330.329 3.937 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000181325631 1127273843 /nfs/dbraw/zinc/27/38/43/1127273843.db2.gz ZGYBERFOXWHAFC-YJBOKZPZSA-N 1 2 337.423 3.851 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)c(Br)c2)s1 ZINC000355359848 1127283566 /nfs/dbraw/zinc/28/35/66/1127283566.db2.gz CMRWTSTTWATBRC-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000181654454 1127287470 /nfs/dbraw/zinc/28/74/70/1127287470.db2.gz HTKGBSAMWAFVRZ-SFHVURJKSA-N 1 2 338.407 3.828 20 0 EHADLO CCC[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)cc1F ZINC000181762370 1127294896 /nfs/dbraw/zinc/29/48/96/1127294896.db2.gz NFAXGMGMZWQZLD-INIZCTEOSA-N 1 2 334.414 3.992 20 0 EHADLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000181736644 1127293002 /nfs/dbraw/zinc/29/30/02/1127293002.db2.gz ZSFXLGFIFBVKQQ-NSHDSACASA-N 1 2 336.794 3.777 20 0 EHADLO c1csc(CCCc2nnc(NCc3cccc4[nH+]ccn43)o2)c1 ZINC000181826590 1127298571 /nfs/dbraw/zinc/29/85/71/1127298571.db2.gz OHQQOHJPPUDWOQ-UHFFFAOYSA-N 1 2 339.424 3.566 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000182035467 1127309266 /nfs/dbraw/zinc/30/92/66/1127309266.db2.gz XBZCCSVZBPEHDB-UHFFFAOYSA-N 1 2 329.469 3.725 20 0 EHADLO CC(C)(C)C[NH+](Cc1csc(CS(C)(=O)=O)n1)CC(C)(C)C ZINC000182079390 1127311006 /nfs/dbraw/zinc/31/10/06/1127311006.db2.gz KAWFRDNCUUQBSM-UHFFFAOYSA-N 1 2 346.562 3.582 20 0 EHADLO COCCC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000186134320 1127333940 /nfs/dbraw/zinc/33/39/40/1127333940.db2.gz MURNEZUTLOINJL-JTQLQIEISA-N 1 2 346.240 3.761 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1F ZINC000360111563 1127337194 /nfs/dbraw/zinc/33/71/94/1127337194.db2.gz CVEFICSOPHZJHE-CHWSQXEVSA-N 1 2 332.423 3.564 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nc(CC)cc(=O)[nH]3)oc21 ZINC000182652387 1127341469 /nfs/dbraw/zinc/34/14/69/1127341469.db2.gz UUZLANDGIAKZEG-GFCCVEGCSA-N 1 2 341.411 3.740 20 0 EHADLO COc1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C(C)C)cc1 ZINC000182886505 1127352188 /nfs/dbraw/zinc/35/21/88/1127352188.db2.gz HFMQCBPMZMQKIV-HXUWFJFHSA-N 1 2 341.455 3.736 20 0 EHADLO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)cc1 ZINC000183047147 1127360250 /nfs/dbraw/zinc/36/02/50/1127360250.db2.gz BJSNPTIEKZKSBI-ZDUSSCGKSA-N 1 2 349.377 3.710 20 0 EHADLO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)cc1 ZINC000183047147 1127360255 /nfs/dbraw/zinc/36/02/55/1127360255.db2.gz BJSNPTIEKZKSBI-ZDUSSCGKSA-N 1 2 349.377 3.710 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000183094730 1127362071 /nfs/dbraw/zinc/36/20/71/1127362071.db2.gz LXNMPEIZVSABNQ-FPTDNZKUSA-N 1 2 336.526 3.650 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184160263 1127396227 /nfs/dbraw/zinc/39/62/27/1127396227.db2.gz QSXDRTOFVODVDU-CHWSQXEVSA-N 1 2 333.457 3.528 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184484382 1127405811 /nfs/dbraw/zinc/40/58/11/1127405811.db2.gz SLAMPLNFJKZWGW-DZGCQCFKSA-N 1 2 343.496 3.897 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1nc(C(C)(C)C)cs1 ZINC000184499477 1127406582 /nfs/dbraw/zinc/40/65/82/1127406582.db2.gz BMNULWIQCSIDLY-ZDUSSCGKSA-N 1 2 345.512 3.993 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccco1 ZINC000184531401 1127407954 /nfs/dbraw/zinc/40/79/54/1127407954.db2.gz HCMNVCJGDJJRAB-CYBMUJFWSA-N 1 2 329.318 3.698 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(CC)C2CCCCC2)cs1 ZINC000184743731 1127412525 /nfs/dbraw/zinc/41/25/25/1127412525.db2.gz FRUJEBGYGCABMZ-UONOGXRCSA-N 1 2 337.533 3.926 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000185018499 1127418660 /nfs/dbraw/zinc/41/86/60/1127418660.db2.gz CRYVOALKRADZFB-PBHICJAKSA-N 1 2 343.496 3.638 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000193776459 1127444538 /nfs/dbraw/zinc/44/45/38/1127444538.db2.gz YMLXFEZWMGMVKK-LBPRGKRZSA-N 1 2 346.500 3.599 20 0 EHADLO Fc1cc2ncn(C[NH2+]C3(c4ccccc4)CCOCC3)c2cc1F ZINC000764122588 1127447591 /nfs/dbraw/zinc/44/75/91/1127447591.db2.gz WXQNZCLHPYSGBA-UHFFFAOYSA-N 1 2 343.377 3.568 20 0 EHADLO C[C@H](OC(=O)CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000764346439 1127483493 /nfs/dbraw/zinc/48/34/93/1127483493.db2.gz RQEPHJWYDJTZHD-LBPRGKRZSA-N 1 2 337.217 3.730 20 0 EHADLO Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(N(C)C)[nH+]1 ZINC000749976512 1127485169 /nfs/dbraw/zinc/48/51/69/1127485169.db2.gz RBSVVBCXGPYWAN-UHFFFAOYSA-N 1 2 348.450 3.802 20 0 EHADLO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H](F)C(F)(F)F ZINC000764463538 1127496948 /nfs/dbraw/zinc/49/69/48/1127496948.db2.gz OMBXHNIGZUSUCZ-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)C(F)(F)F ZINC000764463538 1127496945 /nfs/dbraw/zinc/49/69/45/1127496945.db2.gz OMBXHNIGZUSUCZ-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764879008 1127547345 /nfs/dbraw/zinc/54/73/45/1127547345.db2.gz LTGWZASJOCJHID-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764879008 1127547347 /nfs/dbraw/zinc/54/73/47/1127547347.db2.gz LTGWZASJOCJHID-ZDUSSCGKSA-N 1 2 333.505 3.820 20 0 EHADLO Cc1ccc(Cl)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000765002310 1127563554 /nfs/dbraw/zinc/56/35/54/1127563554.db2.gz ZPNXJIOWRXQAOA-UHFFFAOYSA-N 1 2 345.878 3.592 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032314 1127565246 /nfs/dbraw/zinc/56/52/46/1127565246.db2.gz UPTTXUQIBUMCDN-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032314 1127565249 /nfs/dbraw/zinc/56/52/49/1127565249.db2.gz UPTTXUQIBUMCDN-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2cncc3ccccc32)c1C ZINC000765020978 1127566626 /nfs/dbraw/zinc/56/66/26/1127566626.db2.gz PEZYAHNWFGGTNL-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765063374 1127571447 /nfs/dbraw/zinc/57/14/47/1127571447.db2.gz YPZKERUHOCXLSA-CHWSQXEVSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765063374 1127571448 /nfs/dbraw/zinc/57/14/48/1127571448.db2.gz YPZKERUHOCXLSA-CHWSQXEVSA-N 1 2 334.464 3.928 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(C3CCC3)CCC1)C2 ZINC000654592693 1127586247 /nfs/dbraw/zinc/58/62/47/1127586247.db2.gz QGAZSMDEWJWUPN-CQSZACIVSA-N 1 2 329.488 3.725 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(C3CCC3)CCC1)CC2 ZINC000654592693 1127586250 /nfs/dbraw/zinc/58/62/50/1127586250.db2.gz QGAZSMDEWJWUPN-CQSZACIVSA-N 1 2 329.488 3.725 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(-c3ccco3)s2)c1C ZINC000765355903 1127601200 /nfs/dbraw/zinc/60/12/00/1127601200.db2.gz QHPKBHJBHARGLE-UHFFFAOYSA-N 1 2 342.420 3.959 20 0 EHADLO CC(C)(CCC(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000842889179 1127626103 /nfs/dbraw/zinc/62/61/03/1127626103.db2.gz VAINMEANHWYRLI-UHFFFAOYSA-N 1 2 338.451 3.819 20 0 EHADLO Brc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)nc1 ZINC000171960028 1127638969 /nfs/dbraw/zinc/63/89/69/1127638969.db2.gz ICVVSMUYFBVKKY-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(O)c3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000471634758 1127659189 /nfs/dbraw/zinc/65/91/89/1127659189.db2.gz LSTSJMIQLNHERV-FQEVSTJZSA-N 1 2 346.430 3.674 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(O)c3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000471634758 1127659190 /nfs/dbraw/zinc/65/91/90/1127659190.db2.gz LSTSJMIQLNHERV-FQEVSTJZSA-N 1 2 346.430 3.674 20 0 EHADLO C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@H]1COc2ccccc2O1 ZINC000016378828 1127662253 /nfs/dbraw/zinc/66/22/53/1127662253.db2.gz BZSCRPIDXLKUIC-AWEZNQCLSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1cc(-c2cccs2)on1)C[C@H]1COc2ccccc2O1 ZINC000016378828 1127662257 /nfs/dbraw/zinc/66/22/57/1127662257.db2.gz BZSCRPIDXLKUIC-AWEZNQCLSA-N 1 2 342.420 3.675 20 0 EHADLO Cc1c2ccccc2sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638853 1127664691 /nfs/dbraw/zinc/66/46/91/1127664691.db2.gz IYKPSFXEJKLWGG-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(C(C)(C)C)co2)cc(OC)c1OC ZINC000921541221 1127686862 /nfs/dbraw/zinc/68/68/62/1127686862.db2.gz XCLBITPYJMUCTP-GFCCVEGCSA-N 1 2 348.443 3.849 20 0 EHADLO O=C(CCc1ccsc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289790 1127691166 /nfs/dbraw/zinc/69/11/66/1127691166.db2.gz LTUCFSXGFVIWID-UHFFFAOYSA-N 1 2 335.498 3.762 20 0 EHADLO O=C(COc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889650 1127700680 /nfs/dbraw/zinc/70/06/80/1127700680.db2.gz LWNIGGPEGIXGAC-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000024050262 1127702092 /nfs/dbraw/zinc/70/20/92/1127702092.db2.gz RHUBKXXOCXFLJL-LJQANCHMSA-N 1 2 335.407 3.762 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1Cl ZINC000024753756 1127710994 /nfs/dbraw/zinc/71/09/94/1127710994.db2.gz PLHIOOPMZLVKHE-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cccc2sc(Nc3ccc[nH+]c3N3CCOCC3)nc21 ZINC001212349870 1127731353 /nfs/dbraw/zinc/73/13/53/1127731353.db2.gz JJCKVKHBBNSLSW-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000785439885 1127750729 /nfs/dbraw/zinc/75/07/29/1127750729.db2.gz RWQFUBBOCQHUGX-LSDHHAIUSA-N 1 2 329.465 3.770 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000785439885 1127750732 /nfs/dbraw/zinc/75/07/32/1127750732.db2.gz RWQFUBBOCQHUGX-LSDHHAIUSA-N 1 2 329.465 3.770 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(F)(F)c1ccccc1F ZINC000765743940 1127761917 /nfs/dbraw/zinc/76/19/17/1127761917.db2.gz GLCHSWPILWWRLX-UHFFFAOYSA-N 1 2 331.297 3.946 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000029253342 1127796984 /nfs/dbraw/zinc/79/69/84/1127796984.db2.gz YOURCSLQJOTVNF-TZMCWYRMSA-N 1 2 328.378 3.850 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000029253342 1127796986 /nfs/dbraw/zinc/79/69/86/1127796986.db2.gz YOURCSLQJOTVNF-TZMCWYRMSA-N 1 2 328.378 3.850 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277272 1127817103 /nfs/dbraw/zinc/81/71/03/1127817103.db2.gz BTPXLWUQNVJZBW-KGLIPLIRSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277272 1127817108 /nfs/dbraw/zinc/81/71/08/1127817108.db2.gz BTPXLWUQNVJZBW-KGLIPLIRSA-N 1 2 326.396 3.724 20 0 EHADLO c1ccc(-c2ccncc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212352197 1127909504 /nfs/dbraw/zinc/90/95/04/1127909504.db2.gz NWGOMVFRTOEFMP-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1C ZINC000043752686 1127926065 /nfs/dbraw/zinc/92/60/65/1127926065.db2.gz UTZLRZPSZHUDNG-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO C[C@H]1c2ccsc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045671564 1127956475 /nfs/dbraw/zinc/95/64/75/1127956475.db2.gz OSHIKTSGEIDWML-AWEZNQCLSA-N 1 2 337.448 3.752 20 0 EHADLO Cc1ccn(-c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)n1 ZINC000046105946 1127968636 /nfs/dbraw/zinc/96/86/36/1127968636.db2.gz NXBIELQCMDFXBI-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(CCOc1cccc(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105978 1127968962 /nfs/dbraw/zinc/96/89/62/1127968962.db2.gz MIMJEAUPVPNKGP-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CN(Cc1ccccc1Cl)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047243429 1128004084 /nfs/dbraw/zinc/00/40/84/1128004084.db2.gz QXPZKIIVNGHCBI-UHFFFAOYSA-N 1 2 339.826 3.857 20 0 EHADLO CSCCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265695011 1128010163 /nfs/dbraw/zinc/01/01/63/1128010163.db2.gz BLPBEHPKAZBQLE-HNNXBMFYSA-N 1 2 336.501 3.552 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056745417 1128027205 /nfs/dbraw/zinc/02/72/05/1128027205.db2.gz OIDRBNJLQYHBJA-HNNXBMFYSA-N 1 2 330.432 3.662 20 0 EHADLO O=C1CCCCc2c(Nc3ccc[nH+]c3N3CCOCC3)cccc21 ZINC001212364355 1128029884 /nfs/dbraw/zinc/02/98/84/1128029884.db2.gz FZMZYWFBLIETHX-UHFFFAOYSA-N 1 2 337.423 3.571 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057903262 1128060902 /nfs/dbraw/zinc/06/09/02/1128060902.db2.gz ZPWLUPVJLOVBCS-IUODEOHRSA-N 1 2 325.437 3.883 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057903262 1128060907 /nfs/dbraw/zinc/06/09/07/1128060907.db2.gz ZPWLUPVJLOVBCS-IUODEOHRSA-N 1 2 325.437 3.883 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073146 1128063090 /nfs/dbraw/zinc/06/30/90/1128063090.db2.gz QKMFBMPIEJVKSN-QGZVFWFLSA-N 1 2 334.510 3.673 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073146 1128063095 /nfs/dbraw/zinc/06/30/95/1128063095.db2.gz QKMFBMPIEJVKSN-QGZVFWFLSA-N 1 2 334.510 3.673 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(Cl)cc3)n2)ccn1 ZINC000347559975 1128083929 /nfs/dbraw/zinc/08/39/29/1128083929.db2.gz MBUKSMOPFWDVJQ-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO CCCc1occc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218026 1128093705 /nfs/dbraw/zinc/09/37/05/1128093705.db2.gz HBHJPEWITHQWEH-OAHLLOKOSA-N 1 2 341.455 3.785 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000347563104 1128095307 /nfs/dbraw/zinc/09/53/07/1128095307.db2.gz SZCFOFLTRBCLKC-GOSISDBHSA-N 1 2 347.480 3.682 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000347563104 1128095309 /nfs/dbraw/zinc/09/53/09/1128095309.db2.gz SZCFOFLTRBCLKC-GOSISDBHSA-N 1 2 347.480 3.682 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccccc1 ZINC000063741051 1128154783 /nfs/dbraw/zinc/15/47/83/1128154783.db2.gz MGAKTXUPBMUVPL-UHFFFAOYSA-N 1 2 332.469 3.659 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccccc1 ZINC000063741051 1128154785 /nfs/dbraw/zinc/15/47/85/1128154785.db2.gz MGAKTXUPBMUVPL-UHFFFAOYSA-N 1 2 332.469 3.659 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H](c3ccccn3)C1)nc1ccccc12 ZINC000624379550 1128258440 /nfs/dbraw/zinc/25/84/40/1128258440.db2.gz WBTXFGZVJTXTLJ-OAHLLOKOSA-N 1 2 329.407 3.662 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000068420781 1128266254 /nfs/dbraw/zinc/26/62/54/1128266254.db2.gz YCGLDMWUVJSSIG-KBPBESRZSA-N 1 2 343.393 3.759 20 0 EHADLO CCOc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1C ZINC000066767704 1128226429 /nfs/dbraw/zinc/22/64/29/1128226429.db2.gz LSNBDDIZPXGFLQ-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2nc3ccccc3n2C)cc1OC ZINC001649107648 1128275336 /nfs/dbraw/zinc/27/53/36/1128275336.db2.gz WKIWJRDZTWBVDQ-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000071121794 1128298786 /nfs/dbraw/zinc/29/87/86/1128298786.db2.gz ZGYGCUZVOGWCCD-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000071121794 1128298788 /nfs/dbraw/zinc/29/87/88/1128298788.db2.gz ZGYGCUZVOGWCCD-LBPRGKRZSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(Cl)cc1 ZINC000072603332 1128302427 /nfs/dbraw/zinc/30/24/27/1128302427.db2.gz VMDOQQBYUJNCNU-UHFFFAOYSA-N 1 2 333.741 3.853 20 0 EHADLO CCc1ccc(-c2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)o2)cc1 ZINC000072921798 1128309949 /nfs/dbraw/zinc/30/99/49/1128309949.db2.gz NLDFDLFAKAKLPV-FQEVSTJZSA-N 1 2 334.419 3.825 20 0 EHADLO O=C(Nc1cccc2cccnc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073858690 1128329582 /nfs/dbraw/zinc/32/95/82/1128329582.db2.gz NRMVCQIVBXZVAW-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc(C(F)(F)F)c3)n2)C1 ZINC000624549548 1128391464 /nfs/dbraw/zinc/39/14/64/1128391464.db2.gz CXAOFBIEXSBXAM-JTQLQIEISA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc(C(F)(F)F)c3)n2)C1 ZINC000624549548 1128391467 /nfs/dbraw/zinc/39/14/67/1128391467.db2.gz CXAOFBIEXSBXAM-JTQLQIEISA-N 1 2 347.362 3.599 20 0 EHADLO C[C@@H](C[N@H+](C)[C@@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441582 1128410155 /nfs/dbraw/zinc/41/01/55/1128410155.db2.gz LFKFBHMOXIQVKN-RYUDHWBXSA-N 1 2 328.403 3.871 20 0 EHADLO C[C@@H](C[N@@H+](C)[C@@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441582 1128410156 /nfs/dbraw/zinc/41/01/56/1128410156.db2.gz LFKFBHMOXIQVKN-RYUDHWBXSA-N 1 2 328.403 3.871 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccco1 ZINC000921646450 1128418184 /nfs/dbraw/zinc/41/81/84/1128418184.db2.gz FTLDWWSPKLTFPO-HNNXBMFYSA-N 1 2 330.384 3.630 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC001671000076 1128428586 /nfs/dbraw/zinc/42/85/86/1128428586.db2.gz YLXDQJGYDPTHDB-HZPDHXFCSA-N 1 2 347.503 3.605 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC001671000076 1128428587 /nfs/dbraw/zinc/42/85/87/1128428587.db2.gz YLXDQJGYDPTHDB-HZPDHXFCSA-N 1 2 347.503 3.605 20 0 EHADLO CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921655044 1128436667 /nfs/dbraw/zinc/43/66/67/1128436667.db2.gz HQVLFAOVWGZJFN-SJORKVTESA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3c4c[nH]nc4CC[C@@H]3C)cc2)[nH+]c1C ZINC000921668459 1128447918 /nfs/dbraw/zinc/44/79/18/1128447918.db2.gz QISAOFASHNLUQU-BBATYDOGSA-N 1 2 349.438 3.721 20 0 EHADLO CSCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000122990067 1128451958 /nfs/dbraw/zinc/45/19/58/1128451958.db2.gz LGHDCVUHZFQQSU-MRXNPFEDSA-N 1 2 325.437 3.779 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000903201037 1128463327 /nfs/dbraw/zinc/46/33/27/1128463327.db2.gz WFVYQNSJQUEPMF-SWHYSGLUSA-N 1 2 332.835 3.613 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633669 1128513544 /nfs/dbraw/zinc/51/35/44/1128513544.db2.gz JCXZCHBRNWNFNJ-BHYGNILZSA-N 1 2 343.389 3.985 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633669 1128513549 /nfs/dbraw/zinc/51/35/49/1128513549.db2.gz JCXZCHBRNWNFNJ-BHYGNILZSA-N 1 2 343.389 3.985 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106862421 1128515348 /nfs/dbraw/zinc/51/53/48/1128515348.db2.gz LICYJGSHNBOVDC-OAHLLOKOSA-N 1 2 338.455 3.556 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106862421 1128515351 /nfs/dbraw/zinc/51/53/51/1128515351.db2.gz LICYJGSHNBOVDC-OAHLLOKOSA-N 1 2 338.455 3.556 20 0 EHADLO CC(C)CO[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388399 1128515864 /nfs/dbraw/zinc/51/58/64/1128515864.db2.gz ILMQODWCWKMYAA-OAHLLOKOSA-N 1 2 341.455 3.886 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc(OC)c1 ZINC000542709678 1128552426 /nfs/dbraw/zinc/55/24/26/1128552426.db2.gz CBGJSVWKPYJPCC-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc(OC)c1 ZINC000542709678 1128552430 /nfs/dbraw/zinc/55/24/30/1128552430.db2.gz CBGJSVWKPYJPCC-IBGZPJMESA-N 1 2 341.451 3.537 20 0 EHADLO CC(C)[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000358141960 1128628563 /nfs/dbraw/zinc/62/85/63/1128628563.db2.gz NHMJCIHOQACQCD-GOSISDBHSA-N 1 2 342.487 3.914 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000672066248 1128654000 /nfs/dbraw/zinc/65/40/00/1128654000.db2.gz CZJZMZVPQAHZQC-UHFFFAOYSA-N 1 2 349.837 3.895 20 0 EHADLO c1cc2c(c([C@@H]3CCC[N@H+]3Cc3noc4c3CCCC4)c1)OCCO2 ZINC000108859289 1128669108 /nfs/dbraw/zinc/66/91/08/1128669108.db2.gz WPKLTSHNIGDTNM-KRWDZBQOSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(c([C@@H]3CCC[N@@H+]3Cc3noc4c3CCCC4)c1)OCCO2 ZINC000108859289 1128669112 /nfs/dbraw/zinc/66/91/12/1128669112.db2.gz WPKLTSHNIGDTNM-KRWDZBQOSA-N 1 2 340.423 3.662 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000354053107 1128682911 /nfs/dbraw/zinc/68/29/11/1128682911.db2.gz OCZJSYRNKHNDCA-HNNXBMFYSA-N 1 2 349.434 3.895 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000354053107 1128682913 /nfs/dbraw/zinc/68/29/13/1128682913.db2.gz OCZJSYRNKHNDCA-HNNXBMFYSA-N 1 2 349.434 3.895 20 0 EHADLO CC[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1F ZINC000172621618 1128739679 /nfs/dbraw/zinc/73/96/79/1128739679.db2.gz YDHWASDSGVPPPP-ZWKOTPCHSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354670816 1128763025 /nfs/dbraw/zinc/76/30/25/1128763025.db2.gz LJYYPXNNYQGBOK-JTQLQIEISA-N 1 2 338.238 3.795 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354670816 1128763028 /nfs/dbraw/zinc/76/30/28/1128763028.db2.gz LJYYPXNNYQGBOK-JTQLQIEISA-N 1 2 338.238 3.795 20 0 EHADLO CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000074869035 1128829298 /nfs/dbraw/zinc/82/92/98/1128829298.db2.gz SWVUDHSNTHOKTB-SFHVURJKSA-N 1 2 340.471 3.678 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000542913594 1128834728 /nfs/dbraw/zinc/83/47/28/1128834728.db2.gz OEIKCHDMOLEWRS-QGZVFWFLSA-N 1 2 326.371 3.612 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338749515 1128842421 /nfs/dbraw/zinc/84/24/21/1128842421.db2.gz KMOABIRQHOQHDE-GFCCVEGCSA-N 1 2 349.887 3.950 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075744475 1128878114 /nfs/dbraw/zinc/87/81/14/1128878114.db2.gz WOKKFLYWFMNLCV-ZDUSSCGKSA-N 1 2 325.334 3.684 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000075744475 1128878121 /nfs/dbraw/zinc/87/81/21/1128878121.db2.gz WOKKFLYWFMNLCV-ZDUSSCGKSA-N 1 2 325.334 3.684 20 0 EHADLO Cc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc12 ZINC001670372149 1120046436 /nfs/dbraw/zinc/04/64/36/1120046436.db2.gz BQPAIXULOHJNOU-UHFFFAOYSA-N 1 2 344.418 3.795 20 0 EHADLO CCc1nnc(N2C[C@@H](C)C[C@H]2CC)n1CCCc1cccc(C)[nH+]1 ZINC001709060229 1120178261 /nfs/dbraw/zinc/17/82/61/1120178261.db2.gz QXTUJSQYTFDQJR-MAUKXSAKSA-N 1 2 341.503 3.802 20 0 EHADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)sc1-c1ccc(F)cc1 ZINC000355248918 1128907876 /nfs/dbraw/zinc/90/78/76/1128907876.db2.gz HTUWKHPAIWXOOS-UHFFFAOYSA-N 1 2 329.400 3.526 20 0 EHADLO C[C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687423718 1120336077 /nfs/dbraw/zinc/33/60/77/1120336077.db2.gz DQDFNBYSSYNIHY-NVXWUHKLSA-N 1 2 328.460 3.606 20 0 EHADLO CC[C@@H](C)C[C@H](C)Nc1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001168695200 1128912789 /nfs/dbraw/zinc/91/27/89/1128912789.db2.gz SWQWNLHWJXCVHO-SJORKVTESA-N 1 2 333.520 3.679 20 0 EHADLO COCCc1noc(C[NH2+][C@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000185393406 1120412508 /nfs/dbraw/zinc/41/25/08/1120412508.db2.gz AGGACIJPZLYNGY-GFCCVEGCSA-N 1 2 345.830 3.916 20 0 EHADLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1F ZINC000186687193 1120471019 /nfs/dbraw/zinc/47/10/19/1120471019.db2.gz CBAOCDGKSMNXPM-UHFFFAOYSA-N 1 2 349.837 3.770 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168464458 1120493655 /nfs/dbraw/zinc/49/36/55/1120493655.db2.gz GQDDESSXSKECCL-YWZLYKJASA-N 1 2 329.415 3.521 20 0 EHADLO OCC[N@H+](Cc1sccc1Br)Cc1cccc(F)c1 ZINC000494226869 1120507829 /nfs/dbraw/zinc/50/78/29/1120507829.db2.gz KQXDXAKYSXITQC-UHFFFAOYSA-N 1 2 344.249 3.644 20 0 EHADLO OCC[N@@H+](Cc1sccc1Br)Cc1cccc(F)c1 ZINC000494226869 1120507831 /nfs/dbraw/zinc/50/78/31/1120507831.db2.gz KQXDXAKYSXITQC-UHFFFAOYSA-N 1 2 344.249 3.644 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)c1 ZINC000153026734 1120531949 /nfs/dbraw/zinc/53/19/49/1120531949.db2.gz OROVQNIQAZVGLJ-UHFFFAOYSA-N 1 2 328.460 3.752 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)[C@H](C)CO1 ZINC000189421946 1120584091 /nfs/dbraw/zinc/58/40/91/1120584091.db2.gz QYTVXRWNYXOIQZ-HIFRSBDPSA-N 1 2 349.368 3.674 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)[C@H](C)CO1 ZINC000189421946 1120584094 /nfs/dbraw/zinc/58/40/94/1120584094.db2.gz QYTVXRWNYXOIQZ-HIFRSBDPSA-N 1 2 349.368 3.674 20 0 EHADLO CCCc1noc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000191690271 1120687508 /nfs/dbraw/zinc/68/75/08/1120687508.db2.gz MPBXFQRERJXLOV-UHFFFAOYSA-N 1 2 343.349 3.946 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000672327502 1128937464 /nfs/dbraw/zinc/93/74/64/1128937464.db2.gz ITIOVWXUNYIKQV-KZNAEPCWSA-N 1 2 338.455 3.871 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000192754704 1120747692 /nfs/dbraw/zinc/74/76/92/1120747692.db2.gz UPWVGALQQOMFSR-FMIVXFBMSA-N 1 2 349.459 3.854 20 0 EHADLO Cc1cc(C)cc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000054225252 1120758737 /nfs/dbraw/zinc/75/87/37/1120758737.db2.gz TVTBZBBHRVYFHY-UHFFFAOYSA-N 1 2 339.370 3.646 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747162 1120795010 /nfs/dbraw/zinc/79/50/10/1120795010.db2.gz MBUVFPBGWABMJN-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747162 1120795014 /nfs/dbraw/zinc/79/50/14/1120795014.db2.gz MBUVFPBGWABMJN-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000355995834 1128942277 /nfs/dbraw/zinc/94/22/77/1128942277.db2.gz ZSJAVAIDNFJEQP-UHFFFAOYSA-N 1 2 329.787 3.822 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000355995834 1128942280 /nfs/dbraw/zinc/94/22/80/1128942280.db2.gz ZSJAVAIDNFJEQP-UHFFFAOYSA-N 1 2 329.787 3.822 20 0 EHADLO COc1ccc(CCCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000194585098 1120850043 /nfs/dbraw/zinc/85/00/43/1120850043.db2.gz SCGFNUAPPPWIPI-UHFFFAOYSA-N 1 2 349.434 3.586 20 0 EHADLO Cc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)cnc1Br ZINC000929835413 1120883274 /nfs/dbraw/zinc/88/32/74/1120883274.db2.gz QQSMUEJHNQCAOB-UHFFFAOYSA-N 1 2 341.293 3.932 20 0 EHADLO CC[N@H+](CCNCc1c(Cl)cccc1OC)CCC(F)(F)F ZINC000494850204 1120885329 /nfs/dbraw/zinc/88/53/29/1120885329.db2.gz RQIKKRMZGSMYIO-UHFFFAOYSA-N 1 2 338.801 3.713 20 0 EHADLO CC[N@@H+](CCNCc1c(Cl)cccc1OC)CCC(F)(F)F ZINC000494850204 1120885334 /nfs/dbraw/zinc/88/53/34/1120885334.db2.gz RQIKKRMZGSMYIO-UHFFFAOYSA-N 1 2 338.801 3.713 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)CCC(C)(C)C ZINC000542529042 1120919357 /nfs/dbraw/zinc/91/93/57/1120919357.db2.gz KWZGKDWISCWJLL-CQSZACIVSA-N 1 2 333.476 3.628 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c(=O)c2ccccc12 ZINC000153273938 1120933485 /nfs/dbraw/zinc/93/34/85/1120933485.db2.gz UUDNSWWIDSXWSH-INIZCTEOSA-N 1 2 327.472 3.811 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)c(=O)c2ccccc12 ZINC000153273938 1120933488 /nfs/dbraw/zinc/93/34/88/1120933488.db2.gz UUDNSWWIDSXWSH-INIZCTEOSA-N 1 2 327.472 3.811 20 0 EHADLO c1nnc([C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)C2CCCCC2)[nH]1 ZINC000495062510 1120943792 /nfs/dbraw/zinc/94/37/92/1120943792.db2.gz WJPPPGFXSVKXID-GOSISDBHSA-N 1 2 341.459 3.542 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)CC1 ZINC000153314333 1120956751 /nfs/dbraw/zinc/95/67/51/1120956751.db2.gz STZBHQCEDNSTKT-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)CC1 ZINC000153314333 1120956756 /nfs/dbraw/zinc/95/67/56/1120956756.db2.gz STZBHQCEDNSTKT-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000350038616 1120975665 /nfs/dbraw/zinc/97/56/65/1120975665.db2.gz VTZYHSBAYGFOEX-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000350038616 1120975667 /nfs/dbraw/zinc/97/56/67/1120975667.db2.gz VTZYHSBAYGFOEX-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccccc2OC)n(C)c1=S)C1CC1 ZINC000914783974 1120984822 /nfs/dbraw/zinc/98/48/22/1120984822.db2.gz NHPUPUQPMLFYFC-UHFFFAOYSA-N 1 2 346.500 3.849 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccccc2OC)n(C)c1=S)C1CC1 ZINC000914783974 1120984825 /nfs/dbraw/zinc/98/48/25/1120984825.db2.gz NHPUPUQPMLFYFC-UHFFFAOYSA-N 1 2 346.500 3.849 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 ZINC000171621815 1120996836 /nfs/dbraw/zinc/99/68/36/1120996836.db2.gz LNWLWWCUHBKUJX-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 ZINC000171621815 1120996839 /nfs/dbraw/zinc/99/68/39/1120996839.db2.gz LNWLWWCUHBKUJX-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(Cl)n1 ZINC000762078242 1121094821 /nfs/dbraw/zinc/09/48/21/1121094821.db2.gz CPASIGPFDVIOHS-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1csc(C(C)(C)C)n1 ZINC000303090788 1121121144 /nfs/dbraw/zinc/12/11/44/1121121144.db2.gz BPMAFFHKDQOYSO-LBPRGKRZSA-N 1 2 344.484 3.631 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000495388574 1121161880 /nfs/dbraw/zinc/16/18/80/1121161880.db2.gz VQUIMIXXCBJDSH-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000495388574 1121161883 /nfs/dbraw/zinc/16/18/83/1121161883.db2.gz VQUIMIXXCBJDSH-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nnn(-c3ccccc3)c2=S)[C@H]2CCCC[C@H]12 ZINC000915209692 1121253574 /nfs/dbraw/zinc/25/35/74/1121253574.db2.gz MRTRJJIHSPEZLJ-OIISXLGYSA-N 1 2 343.500 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)[C@H]2CCCC[C@H]12 ZINC000915209692 1121253577 /nfs/dbraw/zinc/25/35/77/1121253577.db2.gz MRTRJJIHSPEZLJ-OIISXLGYSA-N 1 2 343.500 3.656 20 0 EHADLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccc2[nH+]ccn21 ZINC000762424029 1121294502 /nfs/dbraw/zinc/29/45/02/1121294502.db2.gz JSNCQVPSXYCDSD-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO CN(C)c1cc(CSc2nnc3sc4ccccc4n23)cc[nH+]1 ZINC000762470312 1121314561 /nfs/dbraw/zinc/31/45/61/1121314561.db2.gz UUHJUSFUNOXGKJ-UHFFFAOYSA-N 1 2 341.465 3.697 20 0 EHADLO C[C@@H](c1ccccc1)n1cnnc1SCc1cc[nH+]c(N(C)C)c1 ZINC000762476141 1121317385 /nfs/dbraw/zinc/31/73/85/1121317385.db2.gz XIHGZVPYRKIQEG-AWEZNQCLSA-N 1 2 339.468 3.641 20 0 EHADLO C[N@H+](CCC(F)(F)F)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000495648054 1121339001 /nfs/dbraw/zinc/33/90/01/1121339001.db2.gz XDPBMDBUZBXETA-UHFFFAOYSA-N 1 2 339.383 3.874 20 0 EHADLO C[N@@H+](CCC(F)(F)F)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000495648054 1121339010 /nfs/dbraw/zinc/33/90/10/1121339010.db2.gz XDPBMDBUZBXETA-UHFFFAOYSA-N 1 2 339.383 3.874 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(Br)cc1C(F)(F)F ZINC000235458537 1121407115 /nfs/dbraw/zinc/40/71/15/1121407115.db2.gz KZRIIWCNRFFIPP-MRVPVSSYSA-N 1 2 349.154 3.560 20 0 EHADLO CCC[C@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000466994615 1121701419 /nfs/dbraw/zinc/70/14/19/1121701419.db2.gz IWCMRRWZGWUWCE-INIZCTEOSA-N 1 2 345.512 3.915 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2ccccc2c1 ZINC000054219093 1121748462 /nfs/dbraw/zinc/74/84/62/1121748462.db2.gz GXFKIXXABKYCJR-UHFFFAOYSA-N 1 2 330.391 3.917 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2ccccc2c1 ZINC000054219093 1121748467 /nfs/dbraw/zinc/74/84/67/1121748467.db2.gz GXFKIXXABKYCJR-UHFFFAOYSA-N 1 2 330.391 3.917 20 0 EHADLO Cc1cc(C)c(CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000055489595 1121832735 /nfs/dbraw/zinc/83/27/35/1121832735.db2.gz KNAVOAXVACYWRZ-UHFFFAOYSA-N 1 2 347.462 3.829 20 0 EHADLO CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000055806312 1121875211 /nfs/dbraw/zinc/87/52/11/1121875211.db2.gz AGEFVIWUJCARGV-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO CCc1nnc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)s1 ZINC000672569000 1129019060 /nfs/dbraw/zinc/01/90/60/1129019060.db2.gz VNZHMDMBQSAKNU-HUUCEWRRSA-N 1 2 331.485 3.778 20 0 EHADLO CCc1nnc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)s1 ZINC000672569000 1129019062 /nfs/dbraw/zinc/01/90/62/1129019062.db2.gz VNZHMDMBQSAKNU-HUUCEWRRSA-N 1 2 331.485 3.778 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539850 1121959173 /nfs/dbraw/zinc/95/91/73/1121959173.db2.gz VSFPXYVMZXNZLT-INIZCTEOSA-N 1 2 348.450 3.546 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539850 1121959181 /nfs/dbraw/zinc/95/91/81/1121959181.db2.gz VSFPXYVMZXNZLT-INIZCTEOSA-N 1 2 348.450 3.546 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccc(Cl)c1 ZINC000763331267 1121962385 /nfs/dbraw/zinc/96/23/85/1121962385.db2.gz FUMKLMKZQXEXNF-CQSZACIVSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccc(Cl)c1 ZINC000763331267 1121962395 /nfs/dbraw/zinc/96/23/95/1121962395.db2.gz FUMKLMKZQXEXNF-CQSZACIVSA-N 1 2 348.903 3.961 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000496720746 1122159982 /nfs/dbraw/zinc/15/99/82/1122159982.db2.gz XSTYWGMITJFFHA-CYBMUJFWSA-N 1 2 341.411 3.702 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000496720746 1122159985 /nfs/dbraw/zinc/15/99/85/1122159985.db2.gz XSTYWGMITJFFHA-CYBMUJFWSA-N 1 2 341.411 3.702 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)Cc2ccccc21 ZINC000916568371 1122204040 /nfs/dbraw/zinc/20/40/40/1122204040.db2.gz TUOHCMHUHOVNCG-CYBMUJFWSA-N 1 2 346.377 3.846 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)Cc2ccccc21 ZINC000916568371 1122204043 /nfs/dbraw/zinc/20/40/43/1122204043.db2.gz TUOHCMHUHOVNCG-CYBMUJFWSA-N 1 2 346.377 3.846 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(F)c1F ZINC000065424357 1122398540 /nfs/dbraw/zinc/39/85/40/1122398540.db2.gz CKUHFISJYCVFTG-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000127639829 1122499404 /nfs/dbraw/zinc/49/94/04/1122499404.db2.gz HNJPQKFFJRZTAG-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000127639829 1122499406 /nfs/dbraw/zinc/49/94/06/1122499406.db2.gz HNJPQKFFJRZTAG-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)CC2 ZINC000067461748 1122515449 /nfs/dbraw/zinc/51/54/49/1122515449.db2.gz CPWTZSBOIGMBRJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)CC2 ZINC000067461748 1122515454 /nfs/dbraw/zinc/51/54/54/1122515454.db2.gz CPWTZSBOIGMBRJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000128089517 1122528048 /nfs/dbraw/zinc/52/80/48/1122528048.db2.gz MWDJMCKUBHEXFB-OXQOHEQNSA-N 1 2 337.467 3.610 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000128089517 1122528051 /nfs/dbraw/zinc/52/80/51/1122528051.db2.gz MWDJMCKUBHEXFB-OXQOHEQNSA-N 1 2 337.467 3.610 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)n1 ZINC000128079478 1122528064 /nfs/dbraw/zinc/52/80/64/1122528064.db2.gz MEMCYJGJNDEORE-FQEVSTJZSA-N 1 2 343.434 3.783 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154329751 1122558258 /nfs/dbraw/zinc/55/82/58/1122558258.db2.gz JGFLOJSUPRAEEL-UHFFFAOYSA-N 1 2 349.765 3.847 20 0 EHADLO S=c1c2ccccc2nnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000917427923 1122605442 /nfs/dbraw/zinc/60/54/42/1122605442.db2.gz ACCKYKJRYVAZIN-MRXNPFEDSA-N 1 2 336.464 3.825 20 0 EHADLO S=c1c2ccccc2nnn1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000917427923 1122605445 /nfs/dbraw/zinc/60/54/45/1122605445.db2.gz ACCKYKJRYVAZIN-MRXNPFEDSA-N 1 2 336.464 3.825 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1CN1CCSC1=S ZINC000917472865 1122611945 /nfs/dbraw/zinc/61/19/45/1122611945.db2.gz CIWKFZBVTPHKLS-LLVKDONJSA-N 1 2 344.908 3.777 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1CN1CCSC1=S ZINC000917472865 1122611948 /nfs/dbraw/zinc/61/19/48/1122611948.db2.gz CIWKFZBVTPHKLS-LLVKDONJSA-N 1 2 344.908 3.777 20 0 EHADLO FC(F)(F)c1cccc(Cc2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c1 ZINC000923758430 1122705756 /nfs/dbraw/zinc/70/57/56/1122705756.db2.gz YLNYCUMACZUHBQ-VXGBXAGGSA-N 1 2 334.301 3.673 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000917995424 1122727828 /nfs/dbraw/zinc/72/78/28/1122727828.db2.gz JGCSPHQZHPCTEO-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000917995424 1122727834 /nfs/dbraw/zinc/72/78/34/1122727834.db2.gz JGCSPHQZHPCTEO-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183418 1122772753 /nfs/dbraw/zinc/77/27/53/1122772753.db2.gz APTOOTOTVPJYAP-ZDUSSCGKSA-N 1 2 345.830 3.717 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000918183712 1122772813 /nfs/dbraw/zinc/77/28/13/1122772813.db2.gz JUWPAPKFVZEDIY-UHFFFAOYSA-N 1 2 339.439 3.664 20 0 EHADLO COCCc1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)n1 ZINC000069394212 1122774184 /nfs/dbraw/zinc/77/41/84/1122774184.db2.gz RMBICCKBCOCOGT-UHFFFAOYSA-N 1 2 349.862 3.861 20 0 EHADLO Cc1csc([C@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000069576924 1122795603 /nfs/dbraw/zinc/79/56/03/1122795603.db2.gz NLSISKXVFZABDI-GPAKFWEMSA-N 1 2 338.436 3.528 20 0 EHADLO c1csc([C@H]([NH2+]CCc2cccc3ccccc32)c2nnc[nH]2)c1 ZINC000556060696 1122799066 /nfs/dbraw/zinc/79/90/66/1122799066.db2.gz KUEUIMMHEGRCBS-SFHVURJKSA-N 1 2 334.448 3.941 20 0 EHADLO Cc1cccc(C)c1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000129589836 1122806897 /nfs/dbraw/zinc/80/68/97/1122806897.db2.gz SICDZALWMUYDKC-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000444879402 1122853833 /nfs/dbraw/zinc/85/38/33/1122853833.db2.gz QBXLNZVYBHQWPG-BRSBDYLESA-N 1 2 344.503 3.668 20 0 EHADLO C=CC[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000154763702 1122860099 /nfs/dbraw/zinc/86/00/99/1122860099.db2.gz BUPKVYYDFDLFOT-UHFFFAOYSA-N 1 2 335.039 3.535 20 0 EHADLO C=CC[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000154763702 1122860103 /nfs/dbraw/zinc/86/01/03/1122860103.db2.gz BUPKVYYDFDLFOT-UHFFFAOYSA-N 1 2 335.039 3.535 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(Cl)n2)CC1 ZINC000918739397 1122902884 /nfs/dbraw/zinc/90/28/84/1122902884.db2.gz OMZMKIPJWCEULK-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO FC(F)(F)COc1cc(NCc2cccc(-n3cccn3)c2)cc[nH+]1 ZINC000556274362 1122912084 /nfs/dbraw/zinc/91/20/84/1122912084.db2.gz CCZKLMMTXIZNSP-UHFFFAOYSA-N 1 2 348.328 3.821 20 0 EHADLO CCCc1ccc(Cl)c(S(=O)(=O)N(CC)c2cc[nH+]cc2)c1 ZINC000556377114 1122957145 /nfs/dbraw/zinc/95/71/45/1122957145.db2.gz UIHXHTTZIUTNIW-UHFFFAOYSA-N 1 2 338.860 3.903 20 0 EHADLO Cc1c(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1[C@H]1CCOC1 ZINC000556444622 1122978080 /nfs/dbraw/zinc/97/80/80/1122978080.db2.gz OVOZMDVCWSDTPU-KSSFIOAISA-N 1 2 337.427 3.512 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000556455532 1122982740 /nfs/dbraw/zinc/98/27/40/1122982740.db2.gz RDFOBMOKEIZBOC-LSDHHAIUSA-N 1 2 336.439 3.903 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2c1 ZINC000556557036 1123032884 /nfs/dbraw/zinc/03/28/84/1123032884.db2.gz IWRPBQGHSAFMLT-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2c1 ZINC000556557036 1123032889 /nfs/dbraw/zinc/03/28/89/1123032889.db2.gz IWRPBQGHSAFMLT-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)CCN1CC(F)F ZINC000498903713 1123105165 /nfs/dbraw/zinc/10/51/65/1123105165.db2.gz BCMUPUJCZZTPJS-ZDUSSCGKSA-N 1 2 332.822 3.510 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)CCN1CC(F)F ZINC000498903713 1123105168 /nfs/dbraw/zinc/10/51/68/1123105168.db2.gz BCMUPUJCZZTPJS-ZDUSSCGKSA-N 1 2 332.822 3.510 20 0 EHADLO COc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000131444946 1123109154 /nfs/dbraw/zinc/10/91/54/1123109154.db2.gz MPPGOQZLRZCXSL-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000556763049 1123113070 /nfs/dbraw/zinc/11/30/70/1123113070.db2.gz JNNRXMUFUUCCRT-OAHLLOKOSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000556763049 1123113073 /nfs/dbraw/zinc/11/30/73/1123113073.db2.gz JNNRXMUFUUCCRT-OAHLLOKOSA-N 1 2 340.345 3.885 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131476246 1123116995 /nfs/dbraw/zinc/11/69/95/1123116995.db2.gz CYCLVTRAXXVMAS-AWEZNQCLSA-N 1 2 329.444 3.547 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131476246 1123116997 /nfs/dbraw/zinc/11/69/97/1123116997.db2.gz CYCLVTRAXXVMAS-AWEZNQCLSA-N 1 2 329.444 3.547 20 0 EHADLO c1n[nH]c2c1CC[C@H]([NH2+][C@H](c1cc3ccccc3o1)c1cccnc1)C2 ZINC000498931078 1123118084 /nfs/dbraw/zinc/11/80/84/1123118084.db2.gz QITJRJJXKUDXNZ-UWJYYQICSA-N 1 2 344.418 3.787 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000131517235 1123128415 /nfs/dbraw/zinc/12/84/15/1123128415.db2.gz DOSFVTROSXSJCW-OAHLLOKOSA-N 1 2 326.440 3.911 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000131517235 1123128417 /nfs/dbraw/zinc/12/84/17/1123128417.db2.gz DOSFVTROSXSJCW-OAHLLOKOSA-N 1 2 326.440 3.911 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000466020661 1129105747 /nfs/dbraw/zinc/10/57/47/1129105747.db2.gz JCKJJMCJGPNYHA-UZLBHIALSA-N 1 2 346.434 3.775 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)cs1 ZINC000556848787 1123148715 /nfs/dbraw/zinc/14/87/15/1123148715.db2.gz WUKCEEAYQVHUTD-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)cs1 ZINC000556848787 1123148718 /nfs/dbraw/zinc/14/87/18/1123148718.db2.gz WUKCEEAYQVHUTD-CZUORRHYSA-N 1 2 330.453 3.903 20 0 EHADLO COc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000499046088 1123171202 /nfs/dbraw/zinc/17/12/02/1123171202.db2.gz QGMLXIOZGGAIKH-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000763443394 1123173205 /nfs/dbraw/zinc/17/32/05/1123173205.db2.gz WFLQUWJVDAHLLN-OALUTQOASA-N 1 2 343.467 3.902 20 0 EHADLO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000763443394 1123173209 /nfs/dbraw/zinc/17/32/09/1123173209.db2.gz WFLQUWJVDAHLLN-OALUTQOASA-N 1 2 343.467 3.902 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc2ccccc12)c1ncc(Br)cn1 ZINC000556907891 1123193491 /nfs/dbraw/zinc/19/34/91/1123193491.db2.gz FACUQHWCPXKEGN-NSHDSACASA-N 1 2 343.228 3.638 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Nc2ccccc2)c1)[NH+]1CCSCC1 ZINC000132059229 1123198960 /nfs/dbraw/zinc/19/89/60/1123198960.db2.gz DPSDIYIENNUOHT-HNNXBMFYSA-N 1 2 341.480 3.806 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000073712179 1123217134 /nfs/dbraw/zinc/21/71/34/1123217134.db2.gz DQHQZNNCLFCWGI-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)o1 ZINC000132342732 1123219844 /nfs/dbraw/zinc/21/98/44/1123219844.db2.gz ZYSMONVOUBKJFL-MRXNPFEDSA-N 1 2 326.400 3.774 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000919954015 1123245357 /nfs/dbraw/zinc/24/53/57/1123245357.db2.gz GSXMQTVYBDUARQ-UHFFFAOYSA-N 1 2 334.485 3.625 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000919954015 1123245360 /nfs/dbraw/zinc/24/53/60/1123245360.db2.gz GSXMQTVYBDUARQ-UHFFFAOYSA-N 1 2 334.485 3.625 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1Cl ZINC000132664498 1123272203 /nfs/dbraw/zinc/27/22/03/1123272203.db2.gz CVKRCJWPTMKTDX-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1Cl ZINC000132664498 1123272208 /nfs/dbraw/zinc/27/22/08/1123272208.db2.gz CVKRCJWPTMKTDX-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO COC(=O)C[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C(C)C ZINC000920089642 1123283692 /nfs/dbraw/zinc/28/36/92/1123283692.db2.gz UQCFOWFGSHEVQS-UHFFFAOYSA-N 1 2 345.439 3.608 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C(C)C ZINC000920089642 1123283695 /nfs/dbraw/zinc/28/36/95/1123283695.db2.gz UQCFOWFGSHEVQS-UHFFFAOYSA-N 1 2 345.439 3.608 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000152639202 1123357819 /nfs/dbraw/zinc/35/78/19/1123357819.db2.gz FXDPCFSTLRCRAC-UHFFFAOYSA-N 1 2 345.251 3.745 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000075411598 1123394917 /nfs/dbraw/zinc/39/49/17/1123394917.db2.gz PTBYRPKQQDFBNZ-UHFFFAOYSA-N 1 2 330.388 3.703 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000078232020 1129119328 /nfs/dbraw/zinc/11/93/28/1129119328.db2.gz IAEKTCSLBYMKNG-UHFFFAOYSA-N 1 2 331.391 3.763 20 0 EHADLO C[N@H+](Cc1nc(CCc2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000075622615 1123407877 /nfs/dbraw/zinc/40/78/77/1123407877.db2.gz ILBJANSKVLLIOM-IBGZPJMESA-N 1 2 333.435 3.974 20 0 EHADLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000075622615 1123407879 /nfs/dbraw/zinc/40/78/79/1123407879.db2.gz ILBJANSKVLLIOM-IBGZPJMESA-N 1 2 333.435 3.974 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075832667 1123428898 /nfs/dbraw/zinc/42/88/98/1123428898.db2.gz NJARSLNOMXLVDF-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075832667 1123428901 /nfs/dbraw/zinc/42/89/01/1123428901.db2.gz NJARSLNOMXLVDF-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)cc1F ZINC000075997178 1123450824 /nfs/dbraw/zinc/45/08/24/1123450824.db2.gz WBCQMQFBWKSYSQ-LLVKDONJSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133870558 1123455239 /nfs/dbraw/zinc/45/52/39/1123455239.db2.gz UAGLYSDRZWKGDX-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133870558 1123455242 /nfs/dbraw/zinc/45/52/42/1123455242.db2.gz UAGLYSDRZWKGDX-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO CC[N@H+](CCOC)Cn1ccn(-c2cccc(Cl)c2C)c1=S ZINC000921045786 1123458601 /nfs/dbraw/zinc/45/86/01/1123458601.db2.gz DXHBQDZUTQAVPR-UHFFFAOYSA-N 1 2 339.892 3.896 20 0 EHADLO CC[N@@H+](CCOC)Cn1ccn(-c2cccc(Cl)c2C)c1=S ZINC000921045786 1123458602 /nfs/dbraw/zinc/45/86/02/1123458602.db2.gz DXHBQDZUTQAVPR-UHFFFAOYSA-N 1 2 339.892 3.896 20 0 EHADLO CCCC[C@H](CC)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201397 1123478478 /nfs/dbraw/zinc/47/84/78/1123478478.db2.gz KUYOXZBPQBSEHE-INIZCTEOSA-N 1 2 328.460 3.888 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479129 1123529322 /nfs/dbraw/zinc/52/93/22/1123529322.db2.gz RKACDUGAFDOCAR-IAGOWNOFSA-N 1 2 342.487 3.616 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479129 1123529324 /nfs/dbraw/zinc/52/93/24/1123529324.db2.gz RKACDUGAFDOCAR-IAGOWNOFSA-N 1 2 342.487 3.616 20 0 EHADLO CS[C@H]1CCCC[N@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000134591777 1123534644 /nfs/dbraw/zinc/53/46/44/1123534644.db2.gz UKRIDRAVBQJXQS-INIZCTEOSA-N 1 2 331.485 3.686 20 0 EHADLO CS[C@H]1CCCC[N@@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000134591777 1123534646 /nfs/dbraw/zinc/53/46/46/1123534646.db2.gz UKRIDRAVBQJXQS-INIZCTEOSA-N 1 2 331.485 3.686 20 0 EHADLO CCOc1c(F)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000079664737 1123711733 /nfs/dbraw/zinc/71/17/33/1123711733.db2.gz LTBUMYDGDYQQQI-UHFFFAOYSA-N 1 2 343.333 3.802 20 0 EHADLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)nc1Cl ZINC000801517411 1123735811 /nfs/dbraw/zinc/73/58/11/1123735811.db2.gz FSYNNVOTYQFRDN-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nc1Cl ZINC000801517411 1123735813 /nfs/dbraw/zinc/73/58/13/1123735813.db2.gz FSYNNVOTYQFRDN-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1c(F)cccc1F ZINC000615334664 1123782771 /nfs/dbraw/zinc/78/27/71/1123782771.db2.gz NQLBTMYWYKACSA-ZJUUUORDSA-N 1 2 340.320 3.921 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H]1c1ccccc1 ZINC000245439041 1123827755 /nfs/dbraw/zinc/82/77/55/1123827755.db2.gz SNCZUYXLEGGIAO-BFUOFWGJSA-N 1 2 349.390 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H]1c1ccccc1 ZINC000245439041 1123827761 /nfs/dbraw/zinc/82/77/61/1123827761.db2.gz SNCZUYXLEGGIAO-BFUOFWGJSA-N 1 2 349.390 3.658 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938607 1123900244 /nfs/dbraw/zinc/90/02/44/1123900244.db2.gz PZSWOJGXWRBUQN-ZFWWWQNUSA-N 1 2 338.879 3.562 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938607 1123900246 /nfs/dbraw/zinc/90/02/46/1123900246.db2.gz PZSWOJGXWRBUQN-ZFWWWQNUSA-N 1 2 338.879 3.562 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245643111 1123907757 /nfs/dbraw/zinc/90/77/57/1123907757.db2.gz BNWFWOLONDFDIX-IRXDYDNUSA-N 1 2 348.393 3.604 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245643111 1123907760 /nfs/dbraw/zinc/90/77/60/1123907760.db2.gz BNWFWOLONDFDIX-IRXDYDNUSA-N 1 2 348.393 3.604 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000245649112 1123910197 /nfs/dbraw/zinc/91/01/97/1123910197.db2.gz CZIAWYIQRJVCOQ-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000245649112 1123910201 /nfs/dbraw/zinc/91/02/01/1123910201.db2.gz CZIAWYIQRJVCOQ-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C ZINC000245668366 1123917376 /nfs/dbraw/zinc/91/73/76/1123917376.db2.gz JJFDOCBMGMOZEW-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C ZINC000245668366 1123917379 /nfs/dbraw/zinc/91/73/79/1123917379.db2.gz JJFDOCBMGMOZEW-MOPGFXCFSA-N 1 2 344.405 3.757 20 0 EHADLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000180048289 1123927020 /nfs/dbraw/zinc/92/70/20/1123927020.db2.gz BOJLAEPJCYGHLY-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000180048289 1123927023 /nfs/dbraw/zinc/92/70/23/1123927023.db2.gz BOJLAEPJCYGHLY-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC000673042594 1129155182 /nfs/dbraw/zinc/15/51/82/1129155182.db2.gz HVQAZKHLQZZEHW-IBGZPJMESA-N 1 2 325.456 3.840 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616327893 1123983111 /nfs/dbraw/zinc/98/31/11/1123983111.db2.gz DDEPGDMNZCCHJR-YZGWKJHDSA-N 1 2 337.467 3.630 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C ZINC000246274386 1124073169 /nfs/dbraw/zinc/07/31/69/1124073169.db2.gz JHGVSWATQYCDHC-GDBMZVCRSA-N 1 2 332.444 3.781 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C ZINC000246274386 1124073173 /nfs/dbraw/zinc/07/31/73/1124073173.db2.gz JHGVSWATQYCDHC-GDBMZVCRSA-N 1 2 332.444 3.781 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c1C ZINC000734525916 1131247116 /nfs/dbraw/zinc/24/71/16/1131247116.db2.gz QWGDPWZDJSATGM-BBRMVZONSA-N 1 2 333.476 3.723 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000617250152 1124456670 /nfs/dbraw/zinc/45/66/70/1124456670.db2.gz FIWMBLFXTQXZJF-GFCCVEGCSA-N 1 2 341.908 3.536 20 0 EHADLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246838906 1124556138 /nfs/dbraw/zinc/55/61/38/1124556138.db2.gz QJCDIXCAGFHYTP-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246838906 1124556144 /nfs/dbraw/zinc/55/61/44/1124556144.db2.gz QJCDIXCAGFHYTP-ROUUACIJSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000248342707 1124650898 /nfs/dbraw/zinc/65/08/98/1124650898.db2.gz JRYHHQJKGATRSA-LIRRHRJNSA-N 1 2 340.471 3.578 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000248342707 1124650901 /nfs/dbraw/zinc/65/09/01/1124650901.db2.gz JRYHHQJKGATRSA-LIRRHRJNSA-N 1 2 340.471 3.578 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](C)c2nccs2)n1 ZINC000248476006 1124667482 /nfs/dbraw/zinc/66/74/82/1124667482.db2.gz XZHFBGZRMGJLSU-WDEREUQCSA-N 1 2 326.491 3.576 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)c2nccs2)n1 ZINC000248476006 1124667485 /nfs/dbraw/zinc/66/74/85/1124667485.db2.gz XZHFBGZRMGJLSU-WDEREUQCSA-N 1 2 326.491 3.576 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000248891115 1124713496 /nfs/dbraw/zinc/71/34/96/1124713496.db2.gz YVZFEPZYGCUUOF-WHOFXGATSA-N 1 2 348.493 3.645 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000248891115 1124713503 /nfs/dbraw/zinc/71/35/03/1124713503.db2.gz YVZFEPZYGCUUOF-WHOFXGATSA-N 1 2 348.493 3.645 20 0 EHADLO C[C@@H]1CC(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000617667475 1124715834 /nfs/dbraw/zinc/71/58/34/1124715834.db2.gz AUNNQXDSUHILOF-IRXDYDNUSA-N 1 2 339.483 3.662 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000248924299 1124719576 /nfs/dbraw/zinc/71/95/76/1124719576.db2.gz XMQIXWVXLVUBAO-ZWNOBZJWSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000248924299 1124719582 /nfs/dbraw/zinc/71/95/82/1124719582.db2.gz XMQIXWVXLVUBAO-ZWNOBZJWSA-N 1 2 346.254 3.633 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2ccccc21 ZINC000069392294 1124743748 /nfs/dbraw/zinc/74/37/48/1124743748.db2.gz IEJIOYPXGMDMKT-FQEVSTJZSA-N 1 2 331.419 3.609 20 0 EHADLO COc1ccc2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)sc2c1 ZINC000630864943 1124902812 /nfs/dbraw/zinc/90/28/12/1124902812.db2.gz HUTRTWPHTRWTJK-UHFFFAOYSA-N 1 2 341.436 3.584 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c(OC)c1 ZINC000090547120 1124920742 /nfs/dbraw/zinc/92/07/42/1124920742.db2.gz QUCKARNRYIMICY-CQSZACIVSA-N 1 2 329.444 3.866 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251918524 1124954215 /nfs/dbraw/zinc/95/42/15/1124954215.db2.gz SGCZZAXGFBYEEB-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251918524 1124954219 /nfs/dbraw/zinc/95/42/19/1124954219.db2.gz SGCZZAXGFBYEEB-JRPNMDOOSA-N 1 2 345.270 3.677 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc2ccsc2[nH]1 ZINC000618127036 1124994531 /nfs/dbraw/zinc/99/45/31/1124994531.db2.gz GOGVXGKWAFRKRL-UHFFFAOYSA-N 1 2 340.452 3.545 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2cccc(Cl)c2)CCC1 ZINC000618419471 1125076002 /nfs/dbraw/zinc/07/60/02/1125076002.db2.gz OEHZMVIAXGVCJG-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000618444804 1125081833 /nfs/dbraw/zinc/08/18/33/1125081833.db2.gz PGSULQSBDIZVOA-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)Nc1cccc(F)c1 ZINC000618609698 1125123542 /nfs/dbraw/zinc/12/35/42/1125123542.db2.gz RJWHWMHSEDVXTB-UHFFFAOYSA-N 1 2 330.378 3.816 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)Nc1cccc(F)c1 ZINC000618609698 1125123545 /nfs/dbraw/zinc/12/35/45/1125123545.db2.gz RJWHWMHSEDVXTB-UHFFFAOYSA-N 1 2 330.378 3.816 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)N1CCc2ccccc21 ZINC000618609727 1125123612 /nfs/dbraw/zinc/12/36/12/1125123612.db2.gz XTGIZMZHZXJZCU-UHFFFAOYSA-N 1 2 338.426 3.627 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)N1CCc2ccccc21 ZINC000618609727 1125123615 /nfs/dbraw/zinc/12/36/15/1125123615.db2.gz XTGIZMZHZXJZCU-UHFFFAOYSA-N 1 2 338.426 3.627 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000093457963 1125254501 /nfs/dbraw/zinc/25/45/01/1125254501.db2.gz OVPJWZJHBFZGFM-NRFANRHFSA-N 1 2 339.435 3.755 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000093457963 1125254508 /nfs/dbraw/zinc/25/45/08/1125254508.db2.gz OVPJWZJHBFZGFM-NRFANRHFSA-N 1 2 339.435 3.755 20 0 EHADLO Cc1cc(Br)cc(C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649623884 1125282662 /nfs/dbraw/zinc/28/26/62/1125282662.db2.gz GQVZUFCZLRUPIP-LBPRGKRZSA-N 1 2 336.233 3.852 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2ccsc2[nH]1 ZINC000619155834 1125305178 /nfs/dbraw/zinc/30/51/78/1125305178.db2.gz WGCBVBXLTDQIHM-UHFFFAOYSA-N 1 2 346.481 3.924 20 0 EHADLO Cc1cc([C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(O)cc1Cl ZINC000619380342 1125343234 /nfs/dbraw/zinc/34/32/34/1125343234.db2.gz RWRAAEUFDBCQNU-ZIAGYGMSSA-N 1 2 347.846 3.518 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763586832 1125385526 /nfs/dbraw/zinc/38/55/26/1125385526.db2.gz FLLOESCJGPTCRL-ZSEQQEGFSA-N 1 2 337.291 3.931 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763586832 1125385529 /nfs/dbraw/zinc/38/55/29/1125385529.db2.gz FLLOESCJGPTCRL-ZSEQQEGFSA-N 1 2 337.291 3.931 20 0 EHADLO Cc1nnsc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000572562038 1125389121 /nfs/dbraw/zinc/38/91/21/1125389121.db2.gz HFVYZRSZGOCMHC-UHFFFAOYSA-N 1 2 342.443 3.626 20 0 EHADLO Cc1nnsc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000572562038 1125389124 /nfs/dbraw/zinc/38/91/24/1125389124.db2.gz HFVYZRSZGOCMHC-UHFFFAOYSA-N 1 2 342.443 3.626 20 0 EHADLO Cc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)c1 ZINC000152994147 1125414474 /nfs/dbraw/zinc/41/44/74/1125414474.db2.gz YJNYRKKDZIVDKC-UHFFFAOYSA-N 1 2 341.430 3.649 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NCCNc1cccc[nH+]1 ZINC000078867957 1129206213 /nfs/dbraw/zinc/20/62/13/1129206213.db2.gz PWVLQYVPXXUFES-UHFFFAOYSA-N 1 2 341.436 3.533 20 0 EHADLO Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)c(Cl)c1C ZINC000543090724 1129210516 /nfs/dbraw/zinc/21/05/16/1129210516.db2.gz FSNQLIQLODZUMN-UHFFFAOYSA-N 1 2 331.847 3.974 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682532332 1129220251 /nfs/dbraw/zinc/22/02/51/1129220251.db2.gz TZAOHTCDXSZWRX-ABSDTBQOSA-N 1 2 337.467 3.521 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466129907 1129232827 /nfs/dbraw/zinc/23/28/27/1129232827.db2.gz OCBPDYDATBEZEB-IXDOHACOSA-N 1 2 347.528 3.544 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3ccc(Br)o3)C2)c1 ZINC000682996912 1129257341 /nfs/dbraw/zinc/25/73/41/1129257341.db2.gz BABSNZCFMVUEFC-AWEZNQCLSA-N 1 2 340.192 3.835 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)c1 ZINC000682996912 1129257345 /nfs/dbraw/zinc/25/73/45/1129257345.db2.gz BABSNZCFMVUEFC-AWEZNQCLSA-N 1 2 340.192 3.835 20 0 EHADLO CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265829899 1129288212 /nfs/dbraw/zinc/28/82/12/1129288212.db2.gz PQIGNXJUAVEPGX-FQEVSTJZSA-N 1 2 348.450 3.940 20 0 EHADLO C[C@@H](Oc1ccccc1NC(=O)CCCn1cc[nH+]c1)C(F)(F)F ZINC000673323969 1129292534 /nfs/dbraw/zinc/29/25/34/1129292534.db2.gz IDUGAEBHCOLIMQ-GFCCVEGCSA-N 1 2 341.333 3.632 20 0 EHADLO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)cc(F)c1O ZINC000186515578 1129300255 /nfs/dbraw/zinc/30/02/55/1129300255.db2.gz PMNXTVJGZRKINR-ZYHUDNBSSA-N 1 2 346.240 3.904 20 0 EHADLO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000011436092 1129308574 /nfs/dbraw/zinc/30/85/74/1129308574.db2.gz IQBPAZAXHPCQMI-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000011436092 1129308578 /nfs/dbraw/zinc/30/85/78/1129308578.db2.gz IQBPAZAXHPCQMI-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCOc3ccccc3C2)c(C)c1 ZINC000080102887 1129326140 /nfs/dbraw/zinc/32/61/40/1129326140.db2.gz XKAWHULXICNSEH-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCOc3ccccc3C2)c(C)c1 ZINC000080102887 1129326144 /nfs/dbraw/zinc/32/61/44/1129326144.db2.gz XKAWHULXICNSEH-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2OCCOc2ccccc2)cc[nH+]1 ZINC000499680645 1129327304 /nfs/dbraw/zinc/32/73/04/1129327304.db2.gz OMJAXDTYBNDOSQ-UHFFFAOYSA-N 1 2 348.402 3.522 20 0 EHADLO Cc1c2cccc(Cl)c2oc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357940982 1129350156 /nfs/dbraw/zinc/35/01/56/1129350156.db2.gz XVTQIYHZBWFPTR-UHFFFAOYSA-N 1 2 328.759 3.769 20 0 EHADLO CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548881 1129363884 /nfs/dbraw/zinc/36/38/84/1129363884.db2.gz HUHLOODQLKHAFD-NXHRZFHOSA-N 1 2 340.471 3.534 20 0 EHADLO CC(C)CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000080548801 1129364264 /nfs/dbraw/zinc/36/42/64/1129364264.db2.gz WUHQOTUBHGGQLA-SFHVURJKSA-N 1 2 340.471 3.534 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1ccsc1 ZINC000068407260 1129368728 /nfs/dbraw/zinc/36/87/28/1129368728.db2.gz QXRZNPGYDZCBCJ-SFHVURJKSA-N 1 2 341.480 3.610 20 0 EHADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922306755 1129454928 /nfs/dbraw/zinc/45/49/28/1129454928.db2.gz BISJXJIELSVIRZ-KRWDZBQOSA-N 1 2 327.472 3.645 20 0 EHADLO Cc1nc(SCC[N@H+]2CCOC[C@H]2C)n(C2CCCCC2)c1C ZINC000347709195 1129464790 /nfs/dbraw/zinc/46/47/90/1129464790.db2.gz ZHKDPECILSRSOU-CQSZACIVSA-N 1 2 337.533 3.818 20 0 EHADLO Cc1nc(SCC[N@@H+]2CCOC[C@H]2C)n(C2CCCCC2)c1C ZINC000347709195 1129464792 /nfs/dbraw/zinc/46/47/92/1129464792.db2.gz ZHKDPECILSRSOU-CQSZACIVSA-N 1 2 337.533 3.818 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000177399762 1129490039 /nfs/dbraw/zinc/49/00/39/1129490039.db2.gz MUBPITMCZDJGMH-RYUDHWBXSA-N 1 2 338.864 3.533 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000177399777 1129490118 /nfs/dbraw/zinc/49/01/18/1129490118.db2.gz MUBPITMCZDJGMH-NEPJUHHUSA-N 1 2 338.864 3.533 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2ccc[nH+]c2N)c1 ZINC000922366589 1129503931 /nfs/dbraw/zinc/50/39/31/1129503931.db2.gz MWWYLIZKPGNEPL-CQSZACIVSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454885 1129515836 /nfs/dbraw/zinc/51/58/36/1129515836.db2.gz YHRNONDXPSMJTD-SUMWQHHRSA-N 1 2 327.428 3.551 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454885 1129515840 /nfs/dbraw/zinc/51/58/40/1129515840.db2.gz YHRNONDXPSMJTD-SUMWQHHRSA-N 1 2 327.428 3.551 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2Oc2cccc(F)c2)nn1C ZINC000282358264 1129516574 /nfs/dbraw/zinc/51/65/74/1129516574.db2.gz VZMKNDIDWJVLAK-CQSZACIVSA-N 1 2 340.402 3.906 20 0 EHADLO C[C@H](CC(=O)OCc1ccc[nH+]c1N)c1cccc(C(F)(F)F)c1 ZINC000922473488 1129544784 /nfs/dbraw/zinc/54/47/84/1129544784.db2.gz TYFUSYGSYZGSJV-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO CN(C)c1ccnc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000922482477 1129545878 /nfs/dbraw/zinc/54/58/78/1129545878.db2.gz IOVBRCAGMKPFCB-UHFFFAOYSA-N 1 2 327.325 3.595 20 0 EHADLO CCCCCCN(Cc1ccc(C)o1)C(=O)NCc1c[nH+]cn1C ZINC000922515811 1129556997 /nfs/dbraw/zinc/55/69/97/1129556997.db2.gz JVWORKOCCLYEKL-UHFFFAOYSA-N 1 2 332.448 3.614 20 0 EHADLO CCOCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521569 1129561621 /nfs/dbraw/zinc/56/16/21/1129561621.db2.gz VWBHIJRQXFEARK-MJGOQNOKSA-N 1 2 331.387 3.621 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1Br ZINC000922581551 1129581316 /nfs/dbraw/zinc/58/13/16/1129581316.db2.gz JGRMCJGCGYKIMK-MRXNPFEDSA-N 1 2 332.245 3.788 20 0 EHADLO CCOc1c(Cl)cc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OC ZINC000922582392 1129581867 /nfs/dbraw/zinc/58/18/67/1129581867.db2.gz LRWPKUCWUXLIQN-INIZCTEOSA-N 1 2 347.846 3.778 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc(Cl)c1OC ZINC000922583977 1129583315 /nfs/dbraw/zinc/58/33/15/1129583315.db2.gz ZEPMQTUCCPHPHW-MRXNPFEDSA-N 1 2 347.846 3.778 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000186556842 1129612893 /nfs/dbraw/zinc/61/28/93/1129612893.db2.gz AODGPJXCJPEGQI-UHFFFAOYSA-N 1 2 342.374 3.646 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3nc4c(s3)CCCC4)sc2c1 ZINC000922698111 1129630401 /nfs/dbraw/zinc/63/04/01/1129630401.db2.gz ZHBCEXSAZUTYTN-UHFFFAOYSA-N 1 2 345.493 3.930 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000428994690 1129680391 /nfs/dbraw/zinc/68/03/91/1129680391.db2.gz PMBNSLWBKCCXOH-IAGOWNOFSA-N 1 2 334.508 3.836 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)NCCCCNc1cccc[nH+]1 ZINC000173079370 1129701137 /nfs/dbraw/zinc/70/11/37/1129701137.db2.gz QARDEDBFRUAFKY-MRXNPFEDSA-N 1 2 343.446 3.798 20 0 EHADLO Fc1cncc(Br)c1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922884930 1129716285 /nfs/dbraw/zinc/71/62/85/1129716285.db2.gz IDSBCBGYRINGOI-AWEZNQCLSA-N 1 2 336.208 3.545 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000509093432 1129740373 /nfs/dbraw/zinc/74/03/73/1129740373.db2.gz IHAWTOQQEQGACJ-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)c3cccc(F)c3)[nH+]c12 ZINC000673725317 1129812596 /nfs/dbraw/zinc/81/25/96/1129812596.db2.gz UROFBEXBDXJKQA-OAHLLOKOSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000673738577 1129821171 /nfs/dbraw/zinc/82/11/71/1129821171.db2.gz CHBLMDQQPOPOKF-GOSISDBHSA-N 1 2 341.455 3.523 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429120775 1129828886 /nfs/dbraw/zinc/82/88/86/1129828886.db2.gz CCJOQTXMLAVQJO-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429120775 1129828891 /nfs/dbraw/zinc/82/88/91/1129828891.db2.gz CCJOQTXMLAVQJO-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO CCc1cccc(CC)c1NC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735990379 1131400214 /nfs/dbraw/zinc/40/02/14/1131400214.db2.gz WXEFEPZKTKIDJJ-UHFFFAOYSA-N 1 2 329.473 3.532 20 0 EHADLO CCCCN(CCCC)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776172 1129844864 /nfs/dbraw/zinc/84/48/64/1129844864.db2.gz GYCQCFWNVZLWGN-UHFFFAOYSA-N 1 2 330.476 3.797 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168743052 1129865128 /nfs/dbraw/zinc/86/51/28/1129865128.db2.gz MBSCNDOAXLDRGA-BEFAXECRSA-N 1 2 342.870 3.692 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440753 1129874435 /nfs/dbraw/zinc/87/44/35/1129874435.db2.gz SZKBPUMSDOBLHS-RTBURBONSA-N 1 2 342.414 3.523 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1c[nH]c2ccc(F)cc21 ZINC000625440753 1129874437 /nfs/dbraw/zinc/87/44/37/1129874437.db2.gz SZKBPUMSDOBLHS-RTBURBONSA-N 1 2 342.414 3.523 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168744181 1129875536 /nfs/dbraw/zinc/87/55/36/1129875536.db2.gz RNJBVCRVLWZEHW-HNAYVOBHSA-N 1 2 342.870 3.925 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1OC(F)F ZINC000282471214 1129913843 /nfs/dbraw/zinc/91/38/43/1129913843.db2.gz GMZGHDJPPXOFNG-ZDUSSCGKSA-N 1 2 338.402 3.875 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455777630 1129921583 /nfs/dbraw/zinc/92/15/83/1129921583.db2.gz URSHOPDLHMFFFC-ZDUSSCGKSA-N 1 2 348.397 3.943 20 0 EHADLO C[C@@H](CC1CCOCC1)[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000133109151 1129933376 /nfs/dbraw/zinc/93/33/76/1129933376.db2.gz IPHLMJDKAQRQSC-QFBILLFUSA-N 1 2 347.499 3.734 20 0 EHADLO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282487088 1129937349 /nfs/dbraw/zinc/93/73/49/1129937349.db2.gz YADAPCDDWNMVMH-MRXNPFEDSA-N 1 2 348.450 3.721 20 0 EHADLO FC(F)(F)c1ccc(CCC[N@@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000674005478 1129953765 /nfs/dbraw/zinc/95/37/65/1129953765.db2.gz IOTGMXZEVFAKPB-ZDUSSCGKSA-N 1 2 341.295 3.901 20 0 EHADLO FC(F)(F)c1ccc(CCC[N@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000674005478 1129953766 /nfs/dbraw/zinc/95/37/66/1129953766.db2.gz IOTGMXZEVFAKPB-ZDUSSCGKSA-N 1 2 341.295 3.901 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000543542986 1129953844 /nfs/dbraw/zinc/95/38/44/1129953844.db2.gz RKFFRKVTROIBCS-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO C[C@]1(CCc2ccccc2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000674357193 1130073803 /nfs/dbraw/zinc/07/38/03/1130073803.db2.gz GYJYQNGTYGKXNV-FQEVSTJZSA-N 1 2 325.456 3.535 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1NCc1cccnc1 ZINC000674361540 1130075619 /nfs/dbraw/zinc/07/56/19/1130075619.db2.gz PGNPGLJLRFTBAN-UHFFFAOYSA-N 1 2 343.390 3.594 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172047923 1130102497 /nfs/dbraw/zinc/10/24/97/1130102497.db2.gz UQJXGQOHDBCAQN-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CSc3ccccc32)c1C ZINC000172377944 1130128434 /nfs/dbraw/zinc/12/84/34/1130128434.db2.gz LBEYZGUBKRERRS-HNNXBMFYSA-N 1 2 342.464 3.555 20 0 EHADLO Clc1ccc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001137830550 1130146731 /nfs/dbraw/zinc/14/67/31/1130146731.db2.gz IYSVKBQKXWPQDI-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(Br)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001137830550 1130146733 /nfs/dbraw/zinc/14/67/33/1130146733.db2.gz IYSVKBQKXWPQDI-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccccc1 ZINC000674753911 1130188842 /nfs/dbraw/zinc/18/88/42/1130188842.db2.gz XDHAKMHUOAPDBL-UHFFFAOYSA-N 1 2 341.436 3.910 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCn1ccccc1=O ZINC000674873113 1130209376 /nfs/dbraw/zinc/20/93/76/1130209376.db2.gz WZAHKPHJODOOJW-LBPRGKRZSA-N 1 2 337.250 3.774 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCn1ccccc1=O ZINC000674873113 1130209381 /nfs/dbraw/zinc/20/93/81/1130209381.db2.gz WZAHKPHJODOOJW-LBPRGKRZSA-N 1 2 337.250 3.774 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3ccc(-c4nccs4)n3)CCC2)c(F)c1 ZINC000766086156 1130234971 /nfs/dbraw/zinc/23/49/71/1130234971.db2.gz BCHPVVRZEBPHRS-UHFFFAOYSA-N 1 2 346.406 3.911 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)c2nnc[nH]2)C12CCC2 ZINC000658254750 1130319071 /nfs/dbraw/zinc/31/90/71/1130319071.db2.gz QKYVIUIGAIMSKU-KFWWJZLASA-N 1 2 346.500 3.672 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000429249463 1130348867 /nfs/dbraw/zinc/34/88/67/1130348867.db2.gz RYVJNOREZWKIIS-CYBMUJFWSA-N 1 2 343.377 3.817 20 0 EHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000429249463 1130348871 /nfs/dbraw/zinc/34/88/71/1130348871.db2.gz RYVJNOREZWKIIS-CYBMUJFWSA-N 1 2 343.377 3.817 20 0 EHADLO Cc1cnc(Cl)c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001212552907 1130370696 /nfs/dbraw/zinc/37/06/96/1130370696.db2.gz QUDRGPLWJIFAOK-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)cs1 ZINC000246456365 1130383845 /nfs/dbraw/zinc/38/38/45/1130383845.db2.gz NCCJXGHYXMSJEY-KBPBESRZSA-N 1 2 331.485 3.691 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)cs1 ZINC000246456365 1130383848 /nfs/dbraw/zinc/38/38/48/1130383848.db2.gz NCCJXGHYXMSJEY-KBPBESRZSA-N 1 2 331.485 3.691 20 0 EHADLO CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000704126541 1130430137 /nfs/dbraw/zinc/43/01/37/1130430137.db2.gz XJTHILJQZJEURO-UHFFFAOYSA-N 1 2 327.428 3.613 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675783639 1130478917 /nfs/dbraw/zinc/47/89/17/1130478917.db2.gz NYKTXNFIVOZGEQ-CYBMUJFWSA-N 1 2 327.409 3.682 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1Cl ZINC000675893667 1130497564 /nfs/dbraw/zinc/49/75/64/1130497564.db2.gz OYKCPVIGMFWIMM-LBPRGKRZSA-N 1 2 337.851 3.985 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676188838 1130542205 /nfs/dbraw/zinc/54/22/05/1130542205.db2.gz UFKVEJFCINGKJB-AWEZNQCLSA-N 1 2 341.484 3.788 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676188838 1130542210 /nfs/dbraw/zinc/54/22/10/1130542210.db2.gz UFKVEJFCINGKJB-AWEZNQCLSA-N 1 2 341.484 3.788 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000843395264 1130566915 /nfs/dbraw/zinc/56/69/15/1130566915.db2.gz RZVYZEWKZOGAIM-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000843395264 1130566919 /nfs/dbraw/zinc/56/69/19/1130566919.db2.gz RZVYZEWKZOGAIM-LLVKDONJSA-N 1 2 347.684 3.746 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)on2)cc1 ZINC000535282321 1130589423 /nfs/dbraw/zinc/58/94/23/1130589423.db2.gz UCXCHKOCWBKJNY-IBGZPJMESA-N 1 2 347.418 3.567 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)on2)cc1 ZINC000535282321 1130589425 /nfs/dbraw/zinc/58/94/25/1130589425.db2.gz UCXCHKOCWBKJNY-IBGZPJMESA-N 1 2 347.418 3.567 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@H+]3Cc4ccccc4[C@@H](C)C3)C2=O)CC1 ZINC000727817141 1130596309 /nfs/dbraw/zinc/59/63/09/1130596309.db2.gz VJCRAMOQSMUGPX-TZQQIIETSA-N 1 2 340.467 3.519 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@@H+]3Cc4ccccc4[C@@H](C)C3)C2=O)CC1 ZINC000727817141 1130596310 /nfs/dbraw/zinc/59/63/10/1130596310.db2.gz VJCRAMOQSMUGPX-TZQQIIETSA-N 1 2 340.467 3.519 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(CCc2cccs2)c1=S ZINC000727825457 1130601636 /nfs/dbraw/zinc/60/16/36/1130601636.db2.gz SFCVWMOJMQYNBB-CQSZACIVSA-N 1 2 336.530 3.859 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C)n(CCc2cccs2)c1=S ZINC000727825457 1130601639 /nfs/dbraw/zinc/60/16/39/1130601639.db2.gz SFCVWMOJMQYNBB-CQSZACIVSA-N 1 2 336.530 3.859 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728044373 1130621449 /nfs/dbraw/zinc/62/14/49/1130621449.db2.gz VHMVNCUARKAFQI-ZDUSSCGKSA-N 1 2 336.526 3.964 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000728044373 1130621450 /nfs/dbraw/zinc/62/14/50/1130621450.db2.gz VHMVNCUARKAFQI-ZDUSSCGKSA-N 1 2 336.526 3.964 20 0 EHADLO Cc1ccccc1C[N@@H+](Cn1c(=O)sc2c1CC[C@H](C)C2)C1CC1 ZINC000728046865 1130621462 /nfs/dbraw/zinc/62/14/62/1130621462.db2.gz AMQAJMVUNJUOMW-AWEZNQCLSA-N 1 2 342.508 3.965 20 0 EHADLO Cc1ccccc1C[N@H+](Cn1c(=O)sc2c1CC[C@H](C)C2)C1CC1 ZINC000728046865 1130621464 /nfs/dbraw/zinc/62/14/64/1130621464.db2.gz AMQAJMVUNJUOMW-AWEZNQCLSA-N 1 2 342.508 3.965 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000168207715 1130632760 /nfs/dbraw/zinc/63/27/60/1130632760.db2.gz OCHGPZNHBKMKIQ-ZYHUDNBSSA-N 1 2 343.406 3.731 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000291108152 1130637379 /nfs/dbraw/zinc/63/73/79/1130637379.db2.gz CHRVHCLEGGMIGH-MRXNPFEDSA-N 1 2 338.238 3.917 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000291108152 1130637382 /nfs/dbraw/zinc/63/73/82/1130637382.db2.gz CHRVHCLEGGMIGH-MRXNPFEDSA-N 1 2 338.238 3.917 20 0 EHADLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 ZINC000729987835 1130663392 /nfs/dbraw/zinc/66/33/92/1130663392.db2.gz UPWKQWJNALGSGW-LLVKDONJSA-N 1 2 349.793 3.547 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000729987819 1130663762 /nfs/dbraw/zinc/66/37/62/1130663762.db2.gz SZOGNXPLMGDDRJ-UHFFFAOYSA-N 1 2 340.814 3.767 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000730264967 1130693267 /nfs/dbraw/zinc/69/32/67/1130693267.db2.gz OPTASEYDLNADBD-UHFFFAOYSA-N 1 2 349.883 3.562 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000730264967 1130693270 /nfs/dbraw/zinc/69/32/70/1130693270.db2.gz OPTASEYDLNADBD-UHFFFAOYSA-N 1 2 349.883 3.562 20 0 EHADLO O=C(/C=C\c1ccsc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730506857 1130715530 /nfs/dbraw/zinc/71/55/30/1130715530.db2.gz PYHWSSJCXKBKQF-WAYWQWQTSA-N 1 2 341.480 3.853 20 0 EHADLO CC[C@](C)(NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000730904498 1130748423 /nfs/dbraw/zinc/74/84/23/1130748423.db2.gz SSIFORIQUVCBDO-NRFANRHFSA-N 1 2 348.450 3.997 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c(-c3ccccn3)csc2=O)Cc2ccccc21 ZINC000731658277 1130823962 /nfs/dbraw/zinc/82/39/62/1130823962.db2.gz ZNLZVMDTIXQXRY-CQSZACIVSA-N 1 2 337.448 3.549 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c(-c3ccccn3)csc2=O)Cc2ccccc21 ZINC000731658277 1130823966 /nfs/dbraw/zinc/82/39/66/1130823966.db2.gz ZNLZVMDTIXQXRY-CQSZACIVSA-N 1 2 337.448 3.549 20 0 EHADLO Cc1cccc(N2CC[NH+](Cn3ccc(-c4cccs4)n3)CC2)c1 ZINC000731657903 1130824834 /nfs/dbraw/zinc/82/48/34/1130824834.db2.gz RYBJLDRLINXDJL-UHFFFAOYSA-N 1 2 338.480 3.700 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000732203872 1130900726 /nfs/dbraw/zinc/90/07/26/1130900726.db2.gz KQISXPAQLMXEEB-SJCJKPOMSA-N 1 2 349.862 3.792 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000732663290 1130946608 /nfs/dbraw/zinc/94/66/08/1130946608.db2.gz ONAYUQDZOXNPHW-UHFFFAOYSA-N 1 2 349.548 3.675 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000732663290 1130946615 /nfs/dbraw/zinc/94/66/15/1130946615.db2.gz ONAYUQDZOXNPHW-UHFFFAOYSA-N 1 2 349.548 3.675 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989104 1130980500 /nfs/dbraw/zinc/98/05/00/1130980500.db2.gz ODXBDVKMMODETM-MAUKXSAKSA-N 1 2 336.426 3.893 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989104 1130980505 /nfs/dbraw/zinc/98/05/05/1130980505.db2.gz ODXBDVKMMODETM-MAUKXSAKSA-N 1 2 336.426 3.893 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000733303692 1131018924 /nfs/dbraw/zinc/01/89/24/1131018924.db2.gz BYIBKHKTJCIHEZ-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000733303692 1131018931 /nfs/dbraw/zinc/01/89/31/1131018931.db2.gz BYIBKHKTJCIHEZ-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000733313356 1131022080 /nfs/dbraw/zinc/02/20/80/1131022080.db2.gz OUCUXUSJBYJEQQ-LJQANCHMSA-N 1 2 343.858 3.727 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000733313356 1131022084 /nfs/dbraw/zinc/02/20/84/1131022084.db2.gz OUCUXUSJBYJEQQ-LJQANCHMSA-N 1 2 343.858 3.727 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1sccc1C1CC1 ZINC000347966291 1131108260 /nfs/dbraw/zinc/10/82/60/1131108260.db2.gz MCZOYTDXNFAVBQ-UHFFFAOYSA-N 1 2 342.464 3.710 20 0 EHADLO FC(F)c1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000348051821 1131129595 /nfs/dbraw/zinc/12/95/95/1131129595.db2.gz RFSSVJSYPTUAJU-UHFFFAOYSA-N 1 2 340.311 3.642 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000282651846 1131132823 /nfs/dbraw/zinc/13/28/23/1131132823.db2.gz DSUGQZGGPVJEJD-HBUWYVDXSA-N 1 2 339.439 3.638 20 0 EHADLO CC[C@H](NC(=S)NCc1[nH+]cc(C)c(OC)c1C)c1cccs1 ZINC000734377005 1131229548 /nfs/dbraw/zinc/22/95/48/1131229548.db2.gz MAVHZXDKCOOOLK-ZDUSSCGKSA-N 1 2 349.525 3.884 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000737037629 1131444200 /nfs/dbraw/zinc/44/42/00/1131444200.db2.gz KOLVATODBAMIGO-UHFFFAOYSA-N 1 2 348.450 3.915 20 0 EHADLO CC[N@H+](Cn1nc(Cc2ccc(OC)cc2)oc1=S)C1CCC1 ZINC000738055902 1131462210 /nfs/dbraw/zinc/46/22/10/1131462210.db2.gz UUTBIAHXWYYNTH-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO CC[N@@H+](Cn1nc(Cc2ccc(OC)cc2)oc1=S)C1CCC1 ZINC000738055902 1131462214 /nfs/dbraw/zinc/46/22/14/1131462214.db2.gz UUTBIAHXWYYNTH-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738245981 1131466266 /nfs/dbraw/zinc/46/62/66/1131466266.db2.gz PVQFPPJSDJLEEL-RTBURBONSA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738245981 1131466268 /nfs/dbraw/zinc/46/62/68/1131466268.db2.gz PVQFPPJSDJLEEL-RTBURBONSA-N 1 2 338.476 3.708 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000741160799 1131581969 /nfs/dbraw/zinc/58/19/69/1131581969.db2.gz UKQFKYWJBVJQTI-UHFFFAOYSA-N 1 2 338.908 3.822 20 0 EHADLO C[C@H](OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356386 1131598945 /nfs/dbraw/zinc/59/89/45/1131598945.db2.gz QNUBJUJDKOKQHP-PXNSSMCTSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@H](OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356386 1131598951 /nfs/dbraw/zinc/59/89/51/1131598951.db2.gz QNUBJUJDKOKQHP-PXNSSMCTSA-N 1 2 339.435 3.582 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000741778976 1131646176 /nfs/dbraw/zinc/64/61/76/1131646176.db2.gz HHVWDMNSQMRRTN-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000741778976 1131646178 /nfs/dbraw/zinc/64/61/78/1131646178.db2.gz HHVWDMNSQMRRTN-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO CCCCCC[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741889545 1131660506 /nfs/dbraw/zinc/66/05/06/1131660506.db2.gz QHZXZIWQWXHNSF-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO CCCCCC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741889545 1131660511 /nfs/dbraw/zinc/66/05/11/1131660511.db2.gz QHZXZIWQWXHNSF-QUCCMNQESA-N 1 2 346.515 3.610 20 0 EHADLO C[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)(C)C ZINC000741983633 1131678439 /nfs/dbraw/zinc/67/84/39/1131678439.db2.gz NCLCGYDMMGSOMR-HNNXBMFYSA-N 1 2 331.504 3.520 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000742154153 1131694241 /nfs/dbraw/zinc/69/42/41/1131694241.db2.gz DOQBQRKXRFIBST-IBGZPJMESA-N 1 2 334.419 3.776 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@H+]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000742154153 1131694243 /nfs/dbraw/zinc/69/42/43/1131694243.db2.gz DOQBQRKXRFIBST-IBGZPJMESA-N 1 2 334.419 3.776 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172558600 1131769950 /nfs/dbraw/zinc/76/99/50/1131769950.db2.gz WGUGPWXOJGPLOS-YZGWKJHDSA-N 1 2 341.426 3.836 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542068 1131782466 /nfs/dbraw/zinc/78/24/66/1131782466.db2.gz FOEYFPQZUJWWBS-FGTMMUONSA-N 1 2 335.513 3.987 20 0 EHADLO Cc1nc2cc(C)c(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2s1 ZINC001212671679 1131785451 /nfs/dbraw/zinc/78/54/51/1131785451.db2.gz VFZJESZDHHCHOE-UHFFFAOYSA-N 1 2 339.464 3.833 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000742858697 1131807599 /nfs/dbraw/zinc/80/75/99/1131807599.db2.gz VZLSDXARDUWWNX-RDJZCZTQSA-N 1 2 337.423 3.525 20 0 EHADLO FC(F)(F)c1nc2n(n1)CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725929 1131825712 /nfs/dbraw/zinc/82/57/12/1131825712.db2.gz AECYSEIYINUINX-UHFFFAOYSA-N 1 2 328.382 3.616 20 0 EHADLO FC(F)(F)c1nc2n(n1)CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725929 1131825716 /nfs/dbraw/zinc/82/57/16/1131825716.db2.gz AECYSEIYINUINX-UHFFFAOYSA-N 1 2 328.382 3.616 20 0 EHADLO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172880919 1131896156 /nfs/dbraw/zinc/89/61/56/1131896156.db2.gz BYCRUUVTQQACPF-GFCCVEGCSA-N 1 2 348.903 3.805 20 0 EHADLO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172880919 1131896165 /nfs/dbraw/zinc/89/61/65/1131896165.db2.gz BYCRUUVTQQACPF-GFCCVEGCSA-N 1 2 348.903 3.805 20 0 EHADLO C[C@H]1C[N@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743392577 1131910255 /nfs/dbraw/zinc/91/02/55/1131910255.db2.gz QIKYZLAYIMBSJR-HXAVASGUSA-N 1 2 340.467 3.592 20 0 EHADLO C[C@H]1C[N@@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743392577 1131910261 /nfs/dbraw/zinc/91/02/61/1131910261.db2.gz QIKYZLAYIMBSJR-HXAVASGUSA-N 1 2 340.467 3.592 20 0 EHADLO CC[C@H]1C[N@H+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CCS1 ZINC000743401312 1131912501 /nfs/dbraw/zinc/91/25/01/1131912501.db2.gz YBFZJXFIMLBNFL-INIZCTEOSA-N 1 2 349.525 3.802 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CCS1 ZINC000743401312 1131912510 /nfs/dbraw/zinc/91/25/10/1131912510.db2.gz YBFZJXFIMLBNFL-INIZCTEOSA-N 1 2 349.525 3.802 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2ncc(C(=O)OCC)c2C(F)F)C1 ZINC000743404185 1131913615 /nfs/dbraw/zinc/91/36/15/1131913615.db2.gz LZXGYRMDWRMKJU-KRWDZBQOSA-N 1 2 343.418 3.857 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2ncc(C(=O)OCC)c2C(F)F)C1 ZINC000743404185 1131913622 /nfs/dbraw/zinc/91/36/22/1131913622.db2.gz LZXGYRMDWRMKJU-KRWDZBQOSA-N 1 2 343.418 3.857 20 0 EHADLO Cc1cc2nc(Nc3ccc4c(c3)[nH+]cn4C)c3ccccc3n2n1 ZINC000743459646 1131925513 /nfs/dbraw/zinc/92/55/13/1131925513.db2.gz JWQXIAVQDGRYCR-UHFFFAOYSA-N 1 2 328.379 3.821 20 0 EHADLO Cc1ccc(C2=CC[N@H+](Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000743836277 1131983552 /nfs/dbraw/zinc/98/35/52/1131983552.db2.gz RTVMQTBJFQAHPC-UHFFFAOYSA-N 1 2 337.345 3.772 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000743836277 1131983557 /nfs/dbraw/zinc/98/35/57/1131983557.db2.gz RTVMQTBJFQAHPC-UHFFFAOYSA-N 1 2 337.345 3.772 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1SC(F)(F)F ZINC000743848697 1131984484 /nfs/dbraw/zinc/98/44/84/1131984484.db2.gz AMRQJDMEYUMKNN-UHFFFAOYSA-N 1 2 331.363 3.662 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1SC(F)(F)F ZINC000743848697 1131984490 /nfs/dbraw/zinc/98/44/90/1131984490.db2.gz AMRQJDMEYUMKNN-UHFFFAOYSA-N 1 2 331.363 3.662 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCc3c(C)cccc3C2)c(C)c1C ZINC000743845881 1131985137 /nfs/dbraw/zinc/98/51/37/1131985137.db2.gz ACBPCJKCVUGSNQ-UHFFFAOYSA-N 1 2 328.481 3.979 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCc3c(C)cccc3C2)c(C)c1C ZINC000743845881 1131985142 /nfs/dbraw/zinc/98/51/42/1131985142.db2.gz ACBPCJKCVUGSNQ-UHFFFAOYSA-N 1 2 328.481 3.979 20 0 EHADLO COc1cc(C[N@H+](C)Cn2cc(-c3ccccc3)cn2)cc(OC)c1 ZINC000744147044 1132032663 /nfs/dbraw/zinc/03/26/63/1132032663.db2.gz NAWRUTZFEXCPSZ-UHFFFAOYSA-N 1 2 337.423 3.657 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2cc(-c3ccccc3)cn2)cc(OC)c1 ZINC000744147044 1132032671 /nfs/dbraw/zinc/03/26/71/1132032671.db2.gz NAWRUTZFEXCPSZ-UHFFFAOYSA-N 1 2 337.423 3.657 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000744475886 1132107840 /nfs/dbraw/zinc/10/78/40/1132107840.db2.gz OTYKEKWYNGOJGM-FUHWJXTLSA-N 1 2 343.471 3.519 20 0 EHADLO COc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001173903825 1132168300 /nfs/dbraw/zinc/16/83/00/1132168300.db2.gz KZOFUHQZCCHQBY-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)OCCO3)cn2cc[nH+]c12 ZINC001173877581 1132177364 /nfs/dbraw/zinc/17/73/64/1132177364.db2.gz QTGSDRKIRWHDTH-UHFFFAOYSA-N 1 2 346.184 3.612 20 0 EHADLO Cc1cc(F)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001173967849 1132187015 /nfs/dbraw/zinc/18/70/15/1132187015.db2.gz HDZQTMPPWACKLX-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000745085730 1132190920 /nfs/dbraw/zinc/19/09/20/1132190920.db2.gz CNLDURODKPFABZ-MRXNPFEDSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000745085730 1132190923 /nfs/dbraw/zinc/19/09/23/1132190923.db2.gz CNLDURODKPFABZ-MRXNPFEDSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccccc1Cl)c1ccccc1 ZINC000745097618 1132192658 /nfs/dbraw/zinc/19/26/58/1132192658.db2.gz HKFDMXQGOUCSEU-GOSISDBHSA-N 1 2 347.842 3.955 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccccc1Cl)c1ccccc1 ZINC000745097618 1132192661 /nfs/dbraw/zinc/19/26/61/1132192661.db2.gz HKFDMXQGOUCSEU-GOSISDBHSA-N 1 2 347.842 3.955 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100204 1132194022 /nfs/dbraw/zinc/19/40/22/1132194022.db2.gz LLBLWOSSCURRHS-WOJBJXKFSA-N 1 2 339.435 3.537 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100204 1132194024 /nfs/dbraw/zinc/19/40/24/1132194024.db2.gz LLBLWOSSCURRHS-WOJBJXKFSA-N 1 2 339.435 3.537 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745078468 1132195720 /nfs/dbraw/zinc/19/57/20/1132195720.db2.gz FNCSEVKSCCQUMV-CQSZACIVSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745078468 1132195726 /nfs/dbraw/zinc/19/57/26/1132195726.db2.gz FNCSEVKSCCQUMV-CQSZACIVSA-N 1 2 334.803 3.523 20 0 EHADLO Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c(C)c1 ZINC001174013949 1132202934 /nfs/dbraw/zinc/20/29/34/1132202934.db2.gz PSEQCSFYGQJSSE-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(NC(C)=O)cc3)c2c1 ZINC001173975641 1132205311 /nfs/dbraw/zinc/20/53/11/1132205311.db2.gz LRQZMCXZVLYRSZ-UHFFFAOYSA-N 1 2 349.390 3.535 20 0 EHADLO CN(C)C(=O)c1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001174084349 1132240219 /nfs/dbraw/zinc/24/02/19/1132240219.db2.gz SBBFPDLDIURRCU-UHFFFAOYSA-N 1 2 325.799 3.756 20 0 EHADLO CCOc1cc(Nc2cccc(C(=O)N3CCCC3)c2)cc(C)[nH+]1 ZINC001174168819 1132264971 /nfs/dbraw/zinc/26/49/71/1132264971.db2.gz ADIKASDBZRIWGQ-UHFFFAOYSA-N 1 2 325.412 3.768 20 0 EHADLO CCN(C)C(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174320997 1132317250 /nfs/dbraw/zinc/31/72/50/1132317250.db2.gz QKITVAZUUARAPU-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CSc1ccc(OC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000745837795 1132323837 /nfs/dbraw/zinc/32/38/37/1132323837.db2.gz GCAQGJJVDWJXPC-SFHVURJKSA-N 1 2 327.449 3.979 20 0 EHADLO CSc1ccc(OC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000745837795 1132323844 /nfs/dbraw/zinc/32/38/44/1132323844.db2.gz GCAQGJJVDWJXPC-SFHVURJKSA-N 1 2 327.449 3.979 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cnncc3Br)ccc21 ZINC001174381527 1132343253 /nfs/dbraw/zinc/34/32/53/1132343253.db2.gz JPPKQQZCNWUTGQ-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO c1cc2cc(Nc3cccc(OCC[NH+]4CCOCC4)c3)ccc2o1 ZINC001174417433 1132347278 /nfs/dbraw/zinc/34/72/78/1132347278.db2.gz SUVZVWCSFQGGND-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO COC(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1OC ZINC001174427986 1132350506 /nfs/dbraw/zinc/35/05/06/1132350506.db2.gz OSXNRRQKVJEDRR-UHFFFAOYSA-N 1 2 331.759 3.527 20 0 EHADLO CCOc1ccc(C[N@H+](Cn2ncn(CC)c2=S)C(C)C)cc1 ZINC000746045209 1132354148 /nfs/dbraw/zinc/35/41/48/1132354148.db2.gz UVOIVFKQKUWVDD-UHFFFAOYSA-N 1 2 334.489 3.701 20 0 EHADLO CCOc1ccc(C[N@@H+](Cn2ncn(CC)c2=S)C(C)C)cc1 ZINC000746045209 1132354156 /nfs/dbraw/zinc/35/41/56/1132354156.db2.gz UVOIVFKQKUWVDD-UHFFFAOYSA-N 1 2 334.489 3.701 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075644 1132359832 /nfs/dbraw/zinc/35/98/32/1132359832.db2.gz JBYZQLWFQKYMPU-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075644 1132359841 /nfs/dbraw/zinc/35/98/41/1132359841.db2.gz JBYZQLWFQKYMPU-GDBMZVCRSA-N 1 2 343.427 3.524 20 0 EHADLO NC(=O)c1cc(Oc2cccc(Nc3cc[nH+]c4[nH]ccc43)c2)ccn1 ZINC001174415390 1132368285 /nfs/dbraw/zinc/36/82/85/1132368285.db2.gz LEZPYDHEQDPADV-UHFFFAOYSA-N 1 2 345.362 3.544 20 0 EHADLO c1ccc(Nc2ccc(N3CCCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001174526723 1132383779 /nfs/dbraw/zinc/38/37/79/1132383779.db2.gz YNZABMNBAUZFRN-UHFFFAOYSA-N 1 2 337.467 3.863 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(Cc2cccnc2)n1 ZINC001174523691 1132399941 /nfs/dbraw/zinc/39/99/41/1132399941.db2.gz WAANACDNGXMJNB-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO Nc1c(F)c(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1F ZINC001174522753 1132400710 /nfs/dbraw/zinc/40/07/10/1132400710.db2.gz AJFYRKNTMSWSSG-UHFFFAOYSA-N 1 2 340.324 3.954 20 0 EHADLO CC1(C)NC(=O)c2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc21 ZINC001174524770 1132401107 /nfs/dbraw/zinc/40/11/07/1132401107.db2.gz PXFQTFLEMLABRA-UHFFFAOYSA-N 1 2 336.439 3.794 20 0 EHADLO CN(C)C(=O)Oc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524229 1132401415 /nfs/dbraw/zinc/40/14/15/1132401415.db2.gz BIEKFQVHULVERS-UHFFFAOYSA-N 1 2 340.427 3.876 20 0 EHADLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000191632025 1132465236 /nfs/dbraw/zinc/46/52/36/1132465236.db2.gz ICNQJRVFRRCSKP-CQSZACIVSA-N 1 2 325.387 3.678 20 0 EHADLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1nc2ccccc2o1 ZINC000191632025 1132465239 /nfs/dbraw/zinc/46/52/39/1132465239.db2.gz ICNQJRVFRRCSKP-CQSZACIVSA-N 1 2 325.387 3.678 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(COCc2ccccc2)cc1 ZINC000193346730 1132480853 /nfs/dbraw/zinc/48/08/53/1132480853.db2.gz RSZWFIFAWPLEGK-UHFFFAOYSA-N 1 2 335.407 3.698 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(COCc2ccccc2)cc1 ZINC000193346730 1132480860 /nfs/dbraw/zinc/48/08/60/1132480860.db2.gz RSZWFIFAWPLEGK-UHFFFAOYSA-N 1 2 335.407 3.698 20 0 EHADLO Cc1ccnc(Oc2cc(NC(=O)CCc3c[nH]c[nH+]3)ccc2C)c1 ZINC000193368643 1132481292 /nfs/dbraw/zinc/48/12/92/1132481292.db2.gz DYMYCSCUVHCDGO-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO Cc1ccnc(Oc2cc(NC(=O)CCc3c[nH+]c[nH]3)ccc2C)c1 ZINC000193368643 1132481297 /nfs/dbraw/zinc/48/12/97/1132481297.db2.gz DYMYCSCUVHCDGO-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000193663534 1132483042 /nfs/dbraw/zinc/48/30/42/1132483042.db2.gz YLBRHRICQZNNGH-IBGZPJMESA-N 1 2 325.456 3.746 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000193663534 1132483044 /nfs/dbraw/zinc/48/30/44/1132483044.db2.gz YLBRHRICQZNNGH-IBGZPJMESA-N 1 2 325.456 3.746 20 0 EHADLO COc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1OC ZINC001174898813 1132497653 /nfs/dbraw/zinc/49/76/53/1132497653.db2.gz LROUXBTZIJODSL-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO Fc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)nc1Cl ZINC001174973612 1132510065 /nfs/dbraw/zinc/51/00/65/1132510065.db2.gz SHYZJCPMCMIWMT-UHFFFAOYSA-N 1 2 343.189 3.503 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)o1 ZINC000766382909 1132523978 /nfs/dbraw/zinc/52/39/78/1132523978.db2.gz TXSKNFNBPYNPKR-XKZLPGLHSA-N 1 2 332.473 3.948 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)o1 ZINC000766382909 1132523985 /nfs/dbraw/zinc/52/39/85/1132523985.db2.gz TXSKNFNBPYNPKR-XKZLPGLHSA-N 1 2 332.473 3.948 20 0 EHADLO COc1ccccc1[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766384922 1132524069 /nfs/dbraw/zinc/52/40/69/1132524069.db2.gz AHLGPBZFPARFLD-LBPRGKRZSA-N 1 2 325.416 3.763 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000766397229 1132529202 /nfs/dbraw/zinc/52/92/02/1132529202.db2.gz PAAXETMWWOHDOW-MAUKXSAKSA-N 1 2 325.412 3.812 20 0 EHADLO CC(C)Oc1ccc(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979809 1132533970 /nfs/dbraw/zinc/53/39/70/1132533970.db2.gz ISSAGYDGIDZUCL-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CCOc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001175093090 1132566235 /nfs/dbraw/zinc/56/62/35/1132566235.db2.gz MQFURNRTWOODOQ-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO CCOc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001175236605 1132605425 /nfs/dbraw/zinc/60/54/25/1132605425.db2.gz IZQGGOKYJJORSL-UHFFFAOYSA-N 1 2 330.403 3.800 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001168949948 1132614036 /nfs/dbraw/zinc/61/40/36/1132614036.db2.gz PTPXFOFSHMAGSQ-AWEZNQCLSA-N 1 2 339.863 3.773 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001168949948 1132614040 /nfs/dbraw/zinc/61/40/40/1132614040.db2.gz PTPXFOFSHMAGSQ-AWEZNQCLSA-N 1 2 339.863 3.773 20 0 EHADLO COc1cc(Br)c(F)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345180 1132627961 /nfs/dbraw/zinc/62/79/61/1132627961.db2.gz PAQXJYMCQVYGOS-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO COc1cc(Br)cc(F)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175346699 1132628725 /nfs/dbraw/zinc/62/87/25/1132628725.db2.gz YFPFDNCRWIPSPK-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO Cc1nc(NCCc2cn3ccccc3[nH+]2)cc(-c2ccccc2)n1 ZINC001169000940 1132629207 /nfs/dbraw/zinc/62/92/07/1132629207.db2.gz WJQCPAOOZXVNCZ-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO CCOC(=O)c1ccc2c(cccc2Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175346635 1132629360 /nfs/dbraw/zinc/62/93/60/1132629360.db2.gz VKHWLLINXBHCTG-UHFFFAOYSA-N 1 2 336.395 3.616 20 0 EHADLO CCOC(=O)c1ccc(Cl)c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169004546 1132630187 /nfs/dbraw/zinc/63/01/87/1132630187.db2.gz IPNRJCJQSFLBIR-UHFFFAOYSA-N 1 2 343.814 3.819 20 0 EHADLO COc1ccc(NCCc2cn3ccccc3[nH+]2)c2ccc(C)nc12 ZINC001169003836 1132630272 /nfs/dbraw/zinc/63/02/72/1132630272.db2.gz IQVOWFDUFQIMSB-UHFFFAOYSA-N 1 2 332.407 3.854 20 0 EHADLO Fc1cnc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347947 1132630523 /nfs/dbraw/zinc/63/05/23/1132630523.db2.gz YMMQECLMOOWQCU-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1Cl ZINC001175348591 1132630537 /nfs/dbraw/zinc/63/05/37/1132630537.db2.gz GXVRSJJWEPATEQ-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO CC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340286 1132644219 /nfs/dbraw/zinc/64/42/19/1132644219.db2.gz DHWFNBJAMXKVAL-UHFFFAOYSA-N 1 2 325.199 3.796 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NCc2cc(F)cc3c2OCOC3)c1 ZINC001169097099 1132654720 /nfs/dbraw/zinc/65/47/20/1132654720.db2.gz JDHWAGOMXJLFRI-UHFFFAOYSA-N 1 2 339.370 3.705 20 0 EHADLO Cn1ncc2cc(Nc3cc(Br)cn4cc[nH+]c34)ccc21 ZINC001175417418 1132662269 /nfs/dbraw/zinc/66/22/69/1132662269.db2.gz HOIDBQMDKQSNCI-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](CCCOc2ccccc2C)CCO1 ZINC001175428533 1132665812 /nfs/dbraw/zinc/66/58/12/1132665812.db2.gz YCCHTDSICQIXFZ-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](CCCOc2ccccc2C)CCO1 ZINC001175428533 1132665817 /nfs/dbraw/zinc/66/58/17/1132665817.db2.gz YCCHTDSICQIXFZ-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO Brc1cc(Nc2ccc3nccnc3c2)cn2cc[nH+]c12 ZINC001175486283 1132681420 /nfs/dbraw/zinc/68/14/20/1132681420.db2.gz KHVQKPUNHSDRDY-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO Cn1cc2cccc(Nc3cc(Br)c4[nH+]ccn4c3)c2n1 ZINC001175459661 1132688530 /nfs/dbraw/zinc/68/85/30/1132688530.db2.gz FNCDYZFBZQXZMD-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc2c[nH]nc2c(C)c1 ZINC001175517097 1132697250 /nfs/dbraw/zinc/69/72/50/1132697250.db2.gz BRMDITIGSATWSY-UHFFFAOYSA-N 1 2 348.410 3.767 20 0 EHADLO C[N@@H+]1CCC=C(Nc2cccc(Br)c2Br)C1 ZINC001175582475 1132704845 /nfs/dbraw/zinc/70/48/45/1132704845.db2.gz DORLWSNPXAFWGY-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO C[N@H+]1CCC=C(Nc2cccc(Br)c2Br)C1 ZINC001175582475 1132704851 /nfs/dbraw/zinc/70/48/51/1132704851.db2.gz DORLWSNPXAFWGY-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000121342877 1132729351 /nfs/dbraw/zinc/72/93/51/1132729351.db2.gz SLRROFXUQDTGHA-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000121342877 1132729354 /nfs/dbraw/zinc/72/93/54/1132729354.db2.gz SLRROFXUQDTGHA-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@@H]3C[C@H](C)c4ccccc43)nc2[nH]1 ZINC001169364773 1132733717 /nfs/dbraw/zinc/73/37/17/1132733717.db2.gz MHXDZJCGQRTCNW-XHDPSFHLSA-N 1 2 336.395 3.747 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)OCCCO3)c[nH+]1 ZINC001175711944 1132740047 /nfs/dbraw/zinc/74/00/47/1132740047.db2.gz BEDBNGHKFCXKLS-UHFFFAOYSA-N 1 2 325.290 3.588 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccnc2-c2ccccn2)c[nH+]1 ZINC001175712212 1132740634 /nfs/dbraw/zinc/74/06/34/1132740634.db2.gz KDEWJZUWYZWFBY-UHFFFAOYSA-N 1 2 331.301 3.883 20 0 EHADLO CCOC(=O)N1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000804326492 1132766869 /nfs/dbraw/zinc/76/68/69/1132766869.db2.gz WAJBOJFDGBYUIM-UHFFFAOYSA-N 1 2 333.819 3.921 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)c(OC)cc1Br ZINC001176125043 1132854315 /nfs/dbraw/zinc/85/43/15/1132854315.db2.gz VDQMKUHHFPPMMK-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(N)nc(Cl)c3)cc2)[nH+]c1C ZINC001176211743 1132875044 /nfs/dbraw/zinc/87/50/44/1132875044.db2.gz YSLWQNUGCWKYJO-UHFFFAOYSA-N 1 2 341.802 3.576 20 0 EHADLO c1ccc(-c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)nc1 ZINC001169888677 1132881322 /nfs/dbraw/zinc/88/13/22/1132881322.db2.gz XHSKZDBTUWSIMF-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO c1ccc(-c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)nc1 ZINC001169888677 1132881334 /nfs/dbraw/zinc/88/13/34/1132881334.db2.gz XHSKZDBTUWSIMF-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO Cc1cc(NCc2cccnc2N2CCCC2)cc(OC(F)F)[nH+]1 ZINC001169859816 1132882571 /nfs/dbraw/zinc/88/25/71/1132882571.db2.gz QBLLMRRERCGWTH-UHFFFAOYSA-N 1 2 334.370 3.599 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000767032302 1132936906 /nfs/dbraw/zinc/93/69/06/1132936906.db2.gz DVSDRKUMZHRIKT-NSHDSACASA-N 1 2 344.212 3.588 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000767034040 1132937418 /nfs/dbraw/zinc/93/74/18/1132937418.db2.gz HZXPHOHMMCTVAQ-JATZPVMKSA-N 1 2 338.238 3.798 20 0 EHADLO COc1ccc(O)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001176576516 1132970260 /nfs/dbraw/zinc/97/02/60/1132970260.db2.gz XXYACNCEVMKTKY-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC001176745664 1132991889 /nfs/dbraw/zinc/99/18/89/1132991889.db2.gz WXZGAURQQUXLCO-GFCCVEGCSA-N 1 2 336.501 3.541 20 0 EHADLO C[C@](CO)([NH2+]C/C(Cl)=C\Cl)c1cccc(Br)c1 ZINC001176818945 1133002062 /nfs/dbraw/zinc/00/20/62/1133002062.db2.gz GELOENAUXLVSBY-IGEMTJHASA-N 1 2 339.060 3.565 20 0 EHADLO Cc1cc(Cl)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1O ZINC001176967520 1133017307 /nfs/dbraw/zinc/01/73/07/1133017307.db2.gz OSABQHWTIWYSIG-CYBMUJFWSA-N 1 2 345.830 3.604 20 0 EHADLO Fc1cc(Br)cc(C[N@@H+]2CCCC[C@@]23CCOC3)c1 ZINC001176971968 1133017742 /nfs/dbraw/zinc/01/77/42/1133017742.db2.gz WLXUDFZQXPPSOM-HNNXBMFYSA-N 1 2 328.225 3.733 20 0 EHADLO Fc1cc(Br)cc(C[N@H+]2CCCC[C@@]23CCOC3)c1 ZINC001176971968 1133017744 /nfs/dbraw/zinc/01/77/44/1133017744.db2.gz WLXUDFZQXPPSOM-HNNXBMFYSA-N 1 2 328.225 3.733 20 0 EHADLO CN(CC(=O)NCc1cccc(-c2ccc(F)cc2)c1)c1cccc[nH+]1 ZINC001177417671 1133063007 /nfs/dbraw/zinc/06/30/07/1133063007.db2.gz UONVJVZBFUXOFK-UHFFFAOYSA-N 1 2 349.409 3.640 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000768073350 1133092882 /nfs/dbraw/zinc/09/28/82/1133092882.db2.gz OTPGCCNFFKDCND-UHFFFAOYSA-N 1 2 344.773 3.951 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3nc(CO)cs3)c(C)c2c1 ZINC001177698454 1133094097 /nfs/dbraw/zinc/09/40/97/1133094097.db2.gz UBSDLQXEANLUOC-NSHDSACASA-N 1 2 332.425 3.549 20 0 EHADLO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178115506 1133132185 /nfs/dbraw/zinc/13/21/85/1133132185.db2.gz BCNGJRLHZVTWJG-WBVHZDCISA-N 1 2 333.435 3.818 20 0 EHADLO CC(C)(C)Sc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117569 1133132273 /nfs/dbraw/zinc/13/22/73/1133132273.db2.gz AJDKRGXTZCYWHU-CYBMUJFWSA-N 1 2 329.469 3.975 20 0 EHADLO O=C(CCc1ccc(NCc2cccc3[nH+]ccn32)cc1)N1CCCC1 ZINC001178111588 1133132497 /nfs/dbraw/zinc/13/24/97/1133132497.db2.gz LMFHUGYQUORREQ-UHFFFAOYSA-N 1 2 348.450 3.501 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542099 1133152693 /nfs/dbraw/zinc/15/26/93/1133152693.db2.gz IQAUSPPAEJAJBI-KGLIPLIRSA-N 1 2 336.501 3.543 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542099 1133152698 /nfs/dbraw/zinc/15/26/98/1133152698.db2.gz IQAUSPPAEJAJBI-KGLIPLIRSA-N 1 2 336.501 3.543 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768544653 1133157895 /nfs/dbraw/zinc/15/78/95/1133157895.db2.gz QGPIFXOLYXDDIA-CZUORRHYSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000768544653 1133157897 /nfs/dbraw/zinc/15/78/97/1133157897.db2.gz QGPIFXOLYXDDIA-CZUORRHYSA-N 1 2 349.475 3.820 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)CC2 ZINC001178351118 1133158372 /nfs/dbraw/zinc/15/83/72/1133158372.db2.gz LHFMLXIHXCHVMC-HKUYNNGSSA-N 1 2 347.499 3.899 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000768919734 1133202890 /nfs/dbraw/zinc/20/28/90/1133202890.db2.gz BNVYAXVYYYHWBM-UHFFFAOYSA-N 1 2 342.270 3.936 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000768919734 1133202892 /nfs/dbraw/zinc/20/28/92/1133202892.db2.gz BNVYAXVYYYHWBM-UHFFFAOYSA-N 1 2 342.270 3.936 20 0 EHADLO Cc1cc(Cl)ccc1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000768923795 1133203683 /nfs/dbraw/zinc/20/36/83/1133203683.db2.gz OJIBVRFZKMOTDN-CYBMUJFWSA-N 1 2 329.831 3.839 20 0 EHADLO CCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000769019499 1133214396 /nfs/dbraw/zinc/21/43/96/1133214396.db2.gz GGRXWNKROFYUQQ-RBUKOAKNSA-N 1 2 340.471 3.991 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc2cnccc2o1)c1cccc(Cl)c1Cl ZINC001179199875 1133235751 /nfs/dbraw/zinc/23/57/51/1133235751.db2.gz LJFRTQUMTJRSIO-CQSZACIVSA-N 1 2 337.206 3.958 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769333077 1133263636 /nfs/dbraw/zinc/26/36/36/1133263636.db2.gz NIBOFUAYVSDWRA-LJQANCHMSA-N 1 2 329.827 3.944 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000769333077 1133263640 /nfs/dbraw/zinc/26/36/40/1133263640.db2.gz NIBOFUAYVSDWRA-LJQANCHMSA-N 1 2 329.827 3.944 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769426084 1133282856 /nfs/dbraw/zinc/28/28/56/1133282856.db2.gz SEZJZZNBHORTNX-BBRMVZONSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769426084 1133282859 /nfs/dbraw/zinc/28/28/59/1133282859.db2.gz SEZJZZNBHORTNX-BBRMVZONSA-N 1 2 349.475 3.677 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)cc1F ZINC000769428227 1133283590 /nfs/dbraw/zinc/28/35/90/1133283590.db2.gz NPPQTTVHXKOQBJ-SFHVURJKSA-N 1 2 344.409 3.692 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)cc1F ZINC000769428227 1133283594 /nfs/dbraw/zinc/28/35/94/1133283594.db2.gz NPPQTTVHXKOQBJ-SFHVURJKSA-N 1 2 344.409 3.692 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)o1 ZINC000769461169 1133295093 /nfs/dbraw/zinc/29/50/93/1133295093.db2.gz QETCMZGJFXAICW-PBHICJAKSA-N 1 2 345.874 3.769 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H](F)c1ccccc1 ZINC000769558165 1133315124 /nfs/dbraw/zinc/31/51/24/1133315124.db2.gz AJGYHKFNFLMTNH-HNNXBMFYSA-N 1 2 333.432 3.778 20 0 EHADLO COc1ccc(SCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC001180047660 1133315263 /nfs/dbraw/zinc/31/52/63/1133315263.db2.gz LZPPJJSGEIJJOD-IBGZPJMESA-N 1 2 347.455 4.000 20 0 EHADLO COc1ccc(SCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC001180047660 1133315268 /nfs/dbraw/zinc/31/52/68/1133315268.db2.gz LZPPJJSGEIJJOD-IBGZPJMESA-N 1 2 347.455 4.000 20 0 EHADLO Cc1cc(C)c(/C=C\C[NH+]2CCN(C(=O)CC(C)C)CC2)c(C)c1 ZINC001180017431 1133317804 /nfs/dbraw/zinc/31/78/04/1133317804.db2.gz BEAHHFGQVDQKIJ-SREVYHEPSA-N 1 2 328.500 3.815 20 0 EHADLO CC(C)CC(=O)N1CC[NH+]([C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001180019264 1133317938 /nfs/dbraw/zinc/31/79/38/1133317938.db2.gz XFXBFRDGVIXUMK-ZFWWWQNUSA-N 1 2 338.542 3.864 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(CC2CCC2)c1 ZINC001180112429 1133333484 /nfs/dbraw/zinc/33/34/84/1133333484.db2.gz KCRWFFRBTYFEQS-FQEVSTJZSA-N 1 2 339.483 3.943 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(CC2CCC2)c1 ZINC001180112429 1133333488 /nfs/dbraw/zinc/33/34/88/1133333488.db2.gz KCRWFFRBTYFEQS-FQEVSTJZSA-N 1 2 339.483 3.943 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC001180184419 1133336348 /nfs/dbraw/zinc/33/63/48/1133336348.db2.gz ORNKUWBFRCWNSM-LYASGUKUSA-N 1 2 334.435 3.780 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C/C=C\c1cccc(F)c1 ZINC001180184419 1133336357 /nfs/dbraw/zinc/33/63/57/1133336357.db2.gz ORNKUWBFRCWNSM-LYASGUKUSA-N 1 2 334.435 3.780 20 0 EHADLO CC(C)n1ccn(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1=S ZINC000769781692 1133345460 /nfs/dbraw/zinc/34/54/60/1133345460.db2.gz MWFMSIAXFWXACY-GOSISDBHSA-N 1 2 329.469 3.689 20 0 EHADLO CC(C)n1ccn(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1=S ZINC000769781692 1133345464 /nfs/dbraw/zinc/34/54/64/1133345464.db2.gz MWFMSIAXFWXACY-GOSISDBHSA-N 1 2 329.469 3.689 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001180379069 1133363172 /nfs/dbraw/zinc/36/31/72/1133363172.db2.gz RQEQMXZUEFYQTA-ZDUSSCGKSA-N 1 2 340.414 3.714 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001180379069 1133363176 /nfs/dbraw/zinc/36/31/76/1133363176.db2.gz RQEQMXZUEFYQTA-ZDUSSCGKSA-N 1 2 340.414 3.714 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC001180486828 1133376163 /nfs/dbraw/zinc/37/61/63/1133376163.db2.gz UWBIOVWICUCQKJ-UHFFFAOYSA-N 1 2 349.434 3.820 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)c3cccc4[nH+]ccn43)oc21 ZINC000770057426 1133377836 /nfs/dbraw/zinc/37/78/36/1133377836.db2.gz QZTXVIBFQBSOEG-ZDUSSCGKSA-N 1 2 349.390 3.970 20 0 EHADLO CCOc1ccc2nc(NC(=O)c3cccc4[nH+]ccn43)sc2c1 ZINC000770046471 1133381351 /nfs/dbraw/zinc/38/13/51/1133381351.db2.gz UGQDKHGAQMVEHG-UHFFFAOYSA-N 1 2 338.392 3.595 20 0 EHADLO CC(C)CCCCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770079731 1133384866 /nfs/dbraw/zinc/38/48/66/1133384866.db2.gz IFIYUYIFBYLIAQ-QGZVFWFLSA-N 1 2 334.508 3.916 20 0 EHADLO Nc1ccc(CCC(=O)OCC2CCC(C(F)(F)F)CC2)c[nH+]1 ZINC000770399086 1133423107 /nfs/dbraw/zinc/42/31/07/1133423107.db2.gz MBVAIUJTAYJQDT-UHFFFAOYSA-N 1 2 330.350 3.508 20 0 EHADLO O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cccc2[nH+]ccn21 ZINC000770427920 1133428919 /nfs/dbraw/zinc/42/89/19/1133428919.db2.gz UQQXOHAEUQSRHL-LJQANCHMSA-N 1 2 349.434 3.548 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(Br)cc2F)CCCO1 ZINC001181154470 1133460326 /nfs/dbraw/zinc/46/03/26/1133460326.db2.gz PTAMGCZQNYNYAE-GFCCVEGCSA-N 1 2 346.240 3.598 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(Br)cc2F)CCCO1 ZINC001181154470 1133460329 /nfs/dbraw/zinc/46/03/29/1133460329.db2.gz PTAMGCZQNYNYAE-GFCCVEGCSA-N 1 2 346.240 3.598 20 0 EHADLO CCCC(=CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)CCC ZINC000770758365 1133464822 /nfs/dbraw/zinc/46/48/22/1133464822.db2.gz SGCPDGDMRXNKCT-KRWDZBQOSA-N 1 2 329.488 3.813 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cccnc1N ZINC001181242603 1133467905 /nfs/dbraw/zinc/46/79/05/1133467905.db2.gz AFJITJXSSASMHX-AWEZNQCLSA-N 1 2 346.272 3.763 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cccnc1N ZINC001181242603 1133467908 /nfs/dbraw/zinc/46/79/08/1133467908.db2.gz AFJITJXSSASMHX-AWEZNQCLSA-N 1 2 346.272 3.763 20 0 EHADLO Nc1cc(CC(=O)Nc2cc(C3CCCCC3)ccc2O)cc[nH+]1 ZINC001181263733 1133474304 /nfs/dbraw/zinc/47/43/04/1133474304.db2.gz CBVGFIWVJIQTBT-UHFFFAOYSA-N 1 2 325.412 3.598 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CCC(C)(C)SC ZINC001181275679 1133475098 /nfs/dbraw/zinc/47/50/98/1133475098.db2.gz DHZPHRCQNSNJOH-HNNXBMFYSA-N 1 2 343.920 3.936 20 0 EHADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000770873192 1133481551 /nfs/dbraw/zinc/48/15/51/1133481551.db2.gz SPEUVQIREXMYRA-UHFFFAOYSA-N 1 2 349.504 3.795 20 0 EHADLO Cc1ccc(SCC(=O)OCc2cccc3[nH+]ccn32)c(C)c1 ZINC000770922498 1133484929 /nfs/dbraw/zinc/48/49/29/1133484929.db2.gz PVFIVZQTCADICA-UHFFFAOYSA-N 1 2 326.421 3.787 20 0 EHADLO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925824 1133485657 /nfs/dbraw/zinc/48/56/57/1133485657.db2.gz OTKMYZLBAMRAPI-XIRDDKMYSA-N 1 2 330.428 3.751 20 0 EHADLO C/C=C/C[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OCC ZINC001181458282 1133489489 /nfs/dbraw/zinc/48/94/89/1133489489.db2.gz UVDVLMQIBYWMGQ-XOLHQXTHSA-N 1 2 331.456 3.675 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)c1ccc(-n2cccn2)c(F)c1 ZINC001182020147 1133568002 /nfs/dbraw/zinc/56/80/02/1133568002.db2.gz GPXCYLCCQMVXPW-NSHDSACASA-N 1 2 347.340 3.846 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3CC(C)(C)C)sc2C1 ZINC001182117366 1133573710 /nfs/dbraw/zinc/57/37/10/1133573710.db2.gz SPWKBCDMWCUAIY-UHFFFAOYSA-N 1 2 343.496 3.972 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3CC(C)(C)C)sc2C1 ZINC001182117366 1133573714 /nfs/dbraw/zinc/57/37/14/1133573714.db2.gz SPWKBCDMWCUAIY-UHFFFAOYSA-N 1 2 343.496 3.972 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cncc(O)c1)c1ccccc1 ZINC001182235784 1133595809 /nfs/dbraw/zinc/59/58/09/1133595809.db2.gz HFEMLTSZXLFECN-HXUWFJFHSA-N 1 2 347.418 3.599 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cncc(O)c1)c1ccccc1 ZINC001182235784 1133595812 /nfs/dbraw/zinc/59/58/12/1133595812.db2.gz HFEMLTSZXLFECN-HXUWFJFHSA-N 1 2 347.418 3.599 20 0 EHADLO COc1ccc(-c2cc(C(=O)OCCn3cc[nH+]c3)sc2C)cc1 ZINC000771854004 1133607410 /nfs/dbraw/zinc/60/74/10/1133607410.db2.gz JPVNFJUQDWNBRG-UHFFFAOYSA-N 1 2 342.420 3.786 20 0 EHADLO O=C(CCn1c2ccccc2c2ccccc21)OCCn1cc[nH+]c1 ZINC000771923617 1133609938 /nfs/dbraw/zinc/60/99/38/1133609938.db2.gz XPGBZNYJDGJSHC-UHFFFAOYSA-N 1 2 333.391 3.625 20 0 EHADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000771961388 1133621545 /nfs/dbraw/zinc/62/15/45/1133621545.db2.gz WSLCVDHFMMUGMR-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc2cc(Br)ccc2c1 ZINC000772014508 1133628693 /nfs/dbraw/zinc/62/86/93/1133628693.db2.gz ULEUETWFKGSBPJ-UHFFFAOYSA-N 1 2 345.196 3.656 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000772180003 1133649412 /nfs/dbraw/zinc/64/94/12/1133649412.db2.gz XSZVGHRANBHVCL-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000772180003 1133649414 /nfs/dbraw/zinc/64/94/14/1133649414.db2.gz XSZVGHRANBHVCL-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1(F)CCCC1 ZINC000772189632 1133658988 /nfs/dbraw/zinc/65/89/88/1133658988.db2.gz ANOOUSOLMVLGBY-UHFFFAOYSA-N 1 2 325.387 3.823 20 0 EHADLO CC(C)(C)c1ncc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000774538576 1133724001 /nfs/dbraw/zinc/72/40/01/1133724001.db2.gz DBZZMAKYSVVABB-UHFFFAOYSA-N 1 2 341.436 3.983 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](F)c1ccccc1 ZINC000785610452 1133731168 /nfs/dbraw/zinc/73/11/68/1133731168.db2.gz SYJMDPNAJASVMG-GOSISDBHSA-N 1 2 346.833 3.525 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](F)c1ccccc1 ZINC000785610452 1133731174 /nfs/dbraw/zinc/73/11/74/1133731174.db2.gz SYJMDPNAJASVMG-GOSISDBHSA-N 1 2 346.833 3.525 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC001204357801 1133746439 /nfs/dbraw/zinc/74/64/39/1133746439.db2.gz FEBVRRJFIAGFPI-LJQANCHMSA-N 1 2 345.439 3.925 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC001204357801 1133746442 /nfs/dbraw/zinc/74/64/42/1133746442.db2.gz FEBVRRJFIAGFPI-LJQANCHMSA-N 1 2 345.439 3.925 20 0 EHADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC001204357797 1133746854 /nfs/dbraw/zinc/74/68/54/1133746854.db2.gz FEBVRRJFIAGFPI-IBGZPJMESA-N 1 2 345.439 3.925 20 0 EHADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC001204357797 1133746858 /nfs/dbraw/zinc/74/68/58/1133746858.db2.gz FEBVRRJFIAGFPI-IBGZPJMESA-N 1 2 345.439 3.925 20 0 EHADLO COc1ccc([C@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C(C)C)cc1 ZINC001182988289 1133754580 /nfs/dbraw/zinc/75/45/80/1133754580.db2.gz ILNSAMQVNNSTLN-LJQANCHMSA-N 1 2 341.455 3.564 20 0 EHADLO COc1ccc([C@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C(C)C)cc1 ZINC001182988289 1133754584 /nfs/dbraw/zinc/75/45/84/1133754584.db2.gz ILNSAMQVNNSTLN-LJQANCHMSA-N 1 2 341.455 3.564 20 0 EHADLO CCOc1cc(F)cc(C[N@H+](C)Cc2c(C)cc(C)nc2OC)c1 ZINC001183064896 1133765335 /nfs/dbraw/zinc/76/53/35/1133765335.db2.gz AFSIBQPENVZJIM-UHFFFAOYSA-N 1 2 332.419 3.877 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)c1 ZINC001183064896 1133765338 /nfs/dbraw/zinc/76/53/38/1133765338.db2.gz AFSIBQPENVZJIM-UHFFFAOYSA-N 1 2 332.419 3.877 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3c(Cl)cccc3n2)c[nH+]1 ZINC001183415038 1133804053 /nfs/dbraw/zinc/80/40/53/1133804053.db2.gz GFFJLXYDDRDYGK-UHFFFAOYSA-N 1 2 328.803 3.767 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001183745744 1133852282 /nfs/dbraw/zinc/85/22/82/1133852282.db2.gz OMKWEQHWNVJGKH-ZDUSSCGKSA-N 1 2 347.528 3.808 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001183745744 1133852288 /nfs/dbraw/zinc/85/22/88/1133852288.db2.gz OMKWEQHWNVJGKH-ZDUSSCGKSA-N 1 2 347.528 3.808 20 0 EHADLO Cc1cc(N)nc(SCc2ccc(Cl)nc2C(F)(F)F)[nH+]1 ZINC000786711072 1133888302 /nfs/dbraw/zinc/88/83/02/1133888302.db2.gz QNKUKIYTBWWARI-UHFFFAOYSA-N 1 2 334.754 3.727 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3c(C)cccc3Cl)c[nH+]c12 ZINC001184546412 1133951953 /nfs/dbraw/zinc/95/19/53/1133951953.db2.gz HFBNGZAXRZIJTD-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(F)nc1C)CC2 ZINC000787063200 1133952309 /nfs/dbraw/zinc/95/23/09/1133952309.db2.gz ADZAGVFUAYCARN-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(F)nc1C)CC2 ZINC000787063200 1133952313 /nfs/dbraw/zinc/95/23/13/1133952313.db2.gz ADZAGVFUAYCARN-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO CCC1(C(=O)NCc2c[nH+]cn2C2CCC2)CCC(F)(F)CC1 ZINC001184656179 1133973566 /nfs/dbraw/zinc/97/35/66/1133973566.db2.gz RNZVTVIOKLJBOG-UHFFFAOYSA-N 1 2 325.403 3.830 20 0 EHADLO C[C@H](C[N@H+](C)CN1CCSC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787247343 1133977829 /nfs/dbraw/zinc/97/78/29/1133977829.db2.gz YDIRRJUVNNWLQA-SNVBAGLBSA-N 1 2 349.283 3.819 20 0 EHADLO C[C@H](C[N@@H+](C)CN1CCSC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787247343 1133977832 /nfs/dbraw/zinc/97/78/32/1133977832.db2.gz YDIRRJUVNNWLQA-SNVBAGLBSA-N 1 2 349.283 3.819 20 0 EHADLO Cn1nc(Br)cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000787275214 1133989643 /nfs/dbraw/zinc/98/96/43/1133989643.db2.gz LIWYFAPAINLVHA-UHFFFAOYSA-N 1 2 340.290 3.624 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC001170073630 1134004375 /nfs/dbraw/zinc/00/43/75/1134004375.db2.gz WGUNLEMMXBJDKM-KRWDZBQOSA-N 1 2 344.499 3.677 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@H]2CCCC[C@H]2C)c1C ZINC000746685425 1134008257 /nfs/dbraw/zinc/00/82/57/1134008257.db2.gz PFFUPPUWGIXEFI-DOMZBBRYSA-N 1 2 335.517 3.592 20 0 EHADLO COC(=O)Cc1ccc(Cl)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184965485 1134008284 /nfs/dbraw/zinc/00/82/84/1134008284.db2.gz WAVPDUCCVZZKEI-UHFFFAOYSA-N 1 2 345.830 3.794 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2OCc2ccccc2)cc[nH+]1 ZINC000787579224 1134019012 /nfs/dbraw/zinc/01/90/12/1134019012.db2.gz RNMVUXINSJTGBL-UHFFFAOYSA-N 1 2 334.375 3.600 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc(C2CCC2)[nH+]1 ZINC001185222796 1134053003 /nfs/dbraw/zinc/05/30/03/1134053003.db2.gz UPRJWLJGQFZMIB-KRWDZBQOSA-N 1 2 345.393 3.909 20 0 EHADLO Cc1cccc([C@H](CNc2cccc(Cl)n2)[NH+]2CCOCC2)c1 ZINC000787897363 1134056902 /nfs/dbraw/zinc/05/69/02/1134056902.db2.gz KEWFQFKZUJSIJM-INIZCTEOSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000787980752 1134065496 /nfs/dbraw/zinc/06/54/96/1134065496.db2.gz OCDKWJVUOFHXGZ-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1nc(NCC2Cc3ccccc3C2)c(Br)c(C)[nH+]1 ZINC001185378187 1134076358 /nfs/dbraw/zinc/07/63/58/1134076358.db2.gz SAFPDCHCMJEDGG-UHFFFAOYSA-N 1 2 332.245 3.683 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245326 1134100698 /nfs/dbraw/zinc/10/06/98/1134100698.db2.gz FIAHGFHTBNCZRS-GOEBONIOSA-N 1 2 347.503 3.636 20 0 EHADLO CCCCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245326 1134100703 /nfs/dbraw/zinc/10/07/03/1134100703.db2.gz FIAHGFHTBNCZRS-GOEBONIOSA-N 1 2 347.503 3.636 20 0 EHADLO CC(C)c1cccc2c1CC[N@H+](CN1C[C@@H](c3cccnc3)CC1=O)C2 ZINC000788781420 1134174512 /nfs/dbraw/zinc/17/45/12/1134174512.db2.gz FZLOXHFARRJMGJ-IBGZPJMESA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1cccc2c1CC[N@@H+](CN1C[C@@H](c3cccnc3)CC1=O)C2 ZINC000788781420 1134174521 /nfs/dbraw/zinc/17/45/21/1134174521.db2.gz FZLOXHFARRJMGJ-IBGZPJMESA-N 1 2 349.478 3.537 20 0 EHADLO C[C@@H]1CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C(C)(C)C1 ZINC000746771715 1134189925 /nfs/dbraw/zinc/18/99/25/1134189925.db2.gz HKSGJXAFMZTSCR-RDJZCZTQSA-N 1 2 340.471 3.534 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000788978928 1134206843 /nfs/dbraw/zinc/20/68/43/1134206843.db2.gz BUJXSINCHFNULR-HUUCEWRRSA-N 1 2 340.414 3.814 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2CC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001187026007 1134283842 /nfs/dbraw/zinc/28/38/42/1134283842.db2.gz VWSHNAHDCPHOPN-OAHLLOKOSA-N 1 2 331.460 3.753 20 0 EHADLO Cc1cc(NC[C@H]2CCC[C@H](C(F)(F)F)O2)nc(C2CCC2)[nH+]1 ZINC001187541744 1134348014 /nfs/dbraw/zinc/34/80/14/1134348014.db2.gz NOBUYOZKOBLPJD-CHWSQXEVSA-N 1 2 329.366 3.964 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008343 1134359811 /nfs/dbraw/zinc/35/98/11/1134359811.db2.gz SCKKJYDGNSGBTF-STQMWFEESA-N 1 2 349.887 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nc(Cl)cs1 ZINC000790008343 1134359816 /nfs/dbraw/zinc/35/98/16/1134359816.db2.gz SCKKJYDGNSGBTF-STQMWFEESA-N 1 2 349.887 3.532 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(Cl)cn3C)c2)[nH+]c1C ZINC000746884640 1134374953 /nfs/dbraw/zinc/37/49/53/1134374953.db2.gz TTWRFOLTZBWRDF-UHFFFAOYSA-N 1 2 328.803 3.938 20 0 EHADLO CCOC(=O)C1(CNc2cc(C3CC3)[nH+]c(C3CC3)n2)CCCC1 ZINC001187792918 1134381872 /nfs/dbraw/zinc/38/18/72/1134381872.db2.gz VTXLRJIDRCMDAX-UHFFFAOYSA-N 1 2 329.444 3.767 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000790251978 1134385711 /nfs/dbraw/zinc/38/57/11/1134385711.db2.gz KCYDBCFVNJCMMA-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC001187920403 1134400668 /nfs/dbraw/zinc/40/06/68/1134400668.db2.gz GTRUWRGDRCUYHR-UHFFFAOYSA-N 1 2 346.475 3.864 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001188044311 1134413492 /nfs/dbraw/zinc/41/34/92/1134413492.db2.gz JGACYAKOWJWAPJ-INIZCTEOSA-N 1 2 343.452 3.879 20 0 EHADLO Nc1[nH+]cccc1CSc1nnc(Nc2ccccc2F)s1 ZINC001188113904 1134429079 /nfs/dbraw/zinc/42/90/79/1134429079.db2.gz CAQGLPHYQUHVCR-UHFFFAOYSA-N 1 2 333.417 3.690 20 0 EHADLO Cc1ccc(C(C)C)c(O)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001188174299 1134436996 /nfs/dbraw/zinc/43/69/96/1134436996.db2.gz YTCIDPSKFHXABN-CQSZACIVSA-N 1 2 327.428 3.567 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001188285538 1134450091 /nfs/dbraw/zinc/45/00/91/1134450091.db2.gz SPDLCUGBJNCWSO-GOSISDBHSA-N 1 2 342.389 3.679 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001188285538 1134450093 /nfs/dbraw/zinc/45/00/93/1134450093.db2.gz SPDLCUGBJNCWSO-GOSISDBHSA-N 1 2 342.389 3.679 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC001170148009 1134503338 /nfs/dbraw/zinc/50/33/38/1134503338.db2.gz DDZKICVZYJYNPD-INIZCTEOSA-N 1 2 335.513 3.960 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC001170148009 1134503340 /nfs/dbraw/zinc/50/33/40/1134503340.db2.gz DDZKICVZYJYNPD-INIZCTEOSA-N 1 2 335.513 3.960 20 0 EHADLO O=C(C=Cc1ccco1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272277 1134525562 /nfs/dbraw/zinc/52/55/62/1134525562.db2.gz LNBFFJWNSWUYBM-ZHUYAKLQSA-N 1 2 339.439 3.737 20 0 EHADLO O=C(C=Cc1ccco1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272277 1134525569 /nfs/dbraw/zinc/52/55/69/1134525569.db2.gz LNBFFJWNSWUYBM-ZHUYAKLQSA-N 1 2 339.439 3.737 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC000791466810 1134560789 /nfs/dbraw/zinc/56/07/89/1134560789.db2.gz IAXMTBLMZUGADI-FUHWJXTLSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC000791466810 1134560794 /nfs/dbraw/zinc/56/07/94/1134560794.db2.gz IAXMTBLMZUGADI-FUHWJXTLSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791472840 1134561414 /nfs/dbraw/zinc/56/14/14/1134561414.db2.gz JMHPKUMHIKJDCW-KRWDZBQOSA-N 1 2 343.492 3.827 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000791472840 1134561418 /nfs/dbraw/zinc/56/14/18/1134561418.db2.gz JMHPKUMHIKJDCW-KRWDZBQOSA-N 1 2 343.492 3.827 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC001189532585 1134599590 /nfs/dbraw/zinc/59/95/90/1134599590.db2.gz FSKMJDHUKQUEFG-UHFFFAOYSA-N 1 2 348.450 3.704 20 0 EHADLO CCC(=O)Nc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000791783128 1134609625 /nfs/dbraw/zinc/60/96/25/1134609625.db2.gz NYKHMQXJBPTJOY-UHFFFAOYSA-N 1 2 349.390 3.578 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791928933 1134627680 /nfs/dbraw/zinc/62/76/80/1134627680.db2.gz FONCKTUTZLURRS-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)c1ccccc1-n1cc[nH+]c1 ZINC001190098876 1134655016 /nfs/dbraw/zinc/65/50/16/1134655016.db2.gz APLRMAKUKKFVCF-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Clc1nc(-c2ccccc2)nn1Cc1[nH+]ccn1Cc1ccccc1 ZINC001190157538 1134664670 /nfs/dbraw/zinc/66/46/70/1134664670.db2.gz ACYDMMBOJHAFNI-UHFFFAOYSA-N 1 2 349.825 3.892 20 0 EHADLO COc1ccccc1Cc1cn(CC(=O)c2ccc(C)c(C)c2)c[nH+]1 ZINC001190274276 1134675861 /nfs/dbraw/zinc/67/58/61/1134675861.db2.gz RMXAKWLKMWNVES-UHFFFAOYSA-N 1 2 334.419 3.982 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Oc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000792557015 1134698917 /nfs/dbraw/zinc/69/89/17/1134698917.db2.gz CHFQXHNVFKEXAU-FQEVSTJZSA-N 1 2 349.434 3.530 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Oc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000792557015 1134698919 /nfs/dbraw/zinc/69/89/19/1134698919.db2.gz CHFQXHNVFKEXAU-FQEVSTJZSA-N 1 2 349.434 3.530 20 0 EHADLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1C(F)(F)F ZINC001190784946 1134750939 /nfs/dbraw/zinc/75/09/39/1134750939.db2.gz PGYGSLOISMTMJD-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO Cc1[nH+]cc(NC(=O)Nc2cc(Br)ccc2Cl)n1C ZINC001190852207 1134758757 /nfs/dbraw/zinc/75/87/57/1134758757.db2.gz OTAIRTBVPDFTDW-UHFFFAOYSA-N 1 2 343.612 3.788 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1c(C)cc(C)nc1C ZINC001190848276 1134759149 /nfs/dbraw/zinc/75/91/49/1134759149.db2.gz VDLRXRWBCGPHHG-UHFFFAOYSA-N 1 2 340.467 3.615 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1c(C)cc(C)nc1C ZINC001190848276 1134759152 /nfs/dbraw/zinc/75/91/52/1134759152.db2.gz VDLRXRWBCGPHHG-UHFFFAOYSA-N 1 2 340.467 3.615 20 0 EHADLO Cc1cnc2c(cccc2S(=O)(=O)Nc2cc[nH+]c(C3CC3)c2)c1 ZINC001191157557 1134804580 /nfs/dbraw/zinc/80/45/80/1134804580.db2.gz DDZHABORSWIQRC-UHFFFAOYSA-N 1 2 339.420 3.616 20 0 EHADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792874395 1134810158 /nfs/dbraw/zinc/81/01/58/1134810158.db2.gz FYRSAMFFPUBZJW-GFCCVEGCSA-N 1 2 337.341 3.692 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1C ZINC000792909838 1134823293 /nfs/dbraw/zinc/82/32/93/1134823293.db2.gz YLXWYKKDIZWJHQ-ZBFHGGJFSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1C ZINC000792909838 1134823295 /nfs/dbraw/zinc/82/32/95/1134823295.db2.gz YLXWYKKDIZWJHQ-ZBFHGGJFSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3cc(F)ccc3C)c[nH+]c12 ZINC001191432988 1134865613 /nfs/dbraw/zinc/86/56/13/1134865613.db2.gz JCWCWJXSPYVDQV-ZDUSSCGKSA-N 1 2 326.375 3.973 20 0 EHADLO CCn1cc(C[N@@H+]2Cc3c(Br)cccc3C[C@H]2C)cn1 ZINC001205563689 1134870576 /nfs/dbraw/zinc/87/05/76/1134870576.db2.gz WFJOCHWXUXQMML-GFCCVEGCSA-N 1 2 334.261 3.612 20 0 EHADLO CCn1cc(C[N@H+]2Cc3c(Br)cccc3C[C@H]2C)cn1 ZINC001205563689 1134870584 /nfs/dbraw/zinc/87/05/84/1134870584.db2.gz WFJOCHWXUXQMML-GFCCVEGCSA-N 1 2 334.261 3.612 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC001191539273 1134881622 /nfs/dbraw/zinc/88/16/22/1134881622.db2.gz FLQIYOBXQPKHAQ-LJQANCHMSA-N 1 2 341.455 3.650 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC001191539273 1134881629 /nfs/dbraw/zinc/88/16/29/1134881629.db2.gz FLQIYOBXQPKHAQ-LJQANCHMSA-N 1 2 341.455 3.650 20 0 EHADLO O[C@H](C[N@@H+]1CCOC2(CCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001191559411 1134888580 /nfs/dbraw/zinc/88/85/80/1134888580.db2.gz LWEBPGIFAMUCIZ-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO O[C@H](C[N@H+]1CCOC2(CCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001191559411 1134888587 /nfs/dbraw/zinc/88/85/87/1134888587.db2.gz LWEBPGIFAMUCIZ-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)OCCc1c[nH+]cn1C ZINC000793250279 1134889397 /nfs/dbraw/zinc/88/93/97/1134889397.db2.gz LGMVZNGTYQZUGP-UHFFFAOYSA-N 1 2 333.457 3.632 20 0 EHADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000793252587 1134890638 /nfs/dbraw/zinc/89/06/38/1134890638.db2.gz OTEFBFKZAUKGEZ-SNVBAGLBSA-N 1 2 327.211 3.616 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793258787 1134891955 /nfs/dbraw/zinc/89/19/55/1134891955.db2.gz PDCHGNCFERLTNG-UHFFFAOYSA-N 1 2 336.391 3.920 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191605561 1134895464 /nfs/dbraw/zinc/89/54/64/1134895464.db2.gz CCZQSNAAYNJDFU-UHFFFAOYSA-N 1 2 344.312 3.944 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC001191760858 1134909570 /nfs/dbraw/zinc/90/95/70/1134909570.db2.gz UWSMECCIZAMJHA-HNNXBMFYSA-N 1 2 331.803 3.729 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001191816628 1134919870 /nfs/dbraw/zinc/91/98/70/1134919870.db2.gz NRFPGDCAQZMWKP-JCNLHEQBSA-N 1 2 326.444 3.592 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000775494706 1134948442 /nfs/dbraw/zinc/94/84/42/1134948442.db2.gz JRHVIHNRUBGRNP-RBUKOAKNSA-N 1 2 325.408 3.746 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000775494706 1134948449 /nfs/dbraw/zinc/94/84/49/1134948449.db2.gz JRHVIHNRUBGRNP-RBUKOAKNSA-N 1 2 325.408 3.746 20 0 EHADLO CN(CCO)c1ccc([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC000793543422 1134952563 /nfs/dbraw/zinc/95/25/63/1134952563.db2.gz LTHHNHYPPRFUJG-UXHICEINSA-N 1 2 340.467 3.773 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001191972837 1134953428 /nfs/dbraw/zinc/95/34/28/1134953428.db2.gz RBFVKODSGATNHI-INIZCTEOSA-N 1 2 335.467 3.794 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCc1cccc(F)c1 ZINC001191977000 1134954471 /nfs/dbraw/zinc/95/44/71/1134954471.db2.gz LFISFUQRRMOOBA-IBGZPJMESA-N 1 2 327.399 3.531 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCc1cccc(F)c1 ZINC001191977000 1134954477 /nfs/dbraw/zinc/95/44/77/1134954477.db2.gz LFISFUQRRMOOBA-IBGZPJMESA-N 1 2 327.399 3.531 20 0 EHADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014810 1134955964 /nfs/dbraw/zinc/95/59/64/1134955964.db2.gz VUZQTYFMYRGOFX-LIRRHRJNSA-N 1 2 347.842 3.714 20 0 EHADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014810 1134955967 /nfs/dbraw/zinc/95/59/67/1134955967.db2.gz VUZQTYFMYRGOFX-LIRRHRJNSA-N 1 2 347.842 3.714 20 0 EHADLO CCCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291123 1134994741 /nfs/dbraw/zinc/99/47/41/1134994741.db2.gz ABSQXLVBUDZREB-CQSZACIVSA-N 1 2 328.250 3.785 20 0 EHADLO CCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291123 1134994748 /nfs/dbraw/zinc/99/47/48/1134994748.db2.gz ABSQXLVBUDZREB-CQSZACIVSA-N 1 2 328.250 3.785 20 0 EHADLO CC(C)CC[C@@H](O)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001192557233 1135029922 /nfs/dbraw/zinc/02/99/22/1135029922.db2.gz OLYWUMPMYUENPK-QZTJIDSGSA-N 1 2 335.488 3.531 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000775545060 1135048541 /nfs/dbraw/zinc/04/85/41/1135048541.db2.gz AJJFSFHPURQBJH-CMPLNLGQSA-N 1 2 341.381 3.749 20 0 EHADLO CCC[N@H+](CCOc1ccc(SC)cc1)CC(=O)OC(C)(C)C ZINC001193209442 1135114610 /nfs/dbraw/zinc/11/46/10/1135114610.db2.gz HBOMEVBSJDZEQH-UHFFFAOYSA-N 1 2 339.501 3.841 20 0 EHADLO CCC[N@@H+](CCOc1ccc(SC)cc1)CC(=O)OC(C)(C)C ZINC001193209442 1135114611 /nfs/dbraw/zinc/11/46/11/1135114611.db2.gz HBOMEVBSJDZEQH-UHFFFAOYSA-N 1 2 339.501 3.841 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@H+](CCOCC2CCCC2)C3)cc1 ZINC001193336291 1135126341 /nfs/dbraw/zinc/12/63/41/1135126341.db2.gz MSKCTFGHJJDGNC-UHFFFAOYSA-N 1 2 343.446 3.576 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@@H+](CCOCC2CCCC2)C3)cc1 ZINC001193336291 1135126346 /nfs/dbraw/zinc/12/63/46/1135126346.db2.gz MSKCTFGHJJDGNC-UHFFFAOYSA-N 1 2 343.446 3.576 20 0 EHADLO Clc1ccccc1CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001193366574 1135131332 /nfs/dbraw/zinc/13/13/32/1135131332.db2.gz ZAEPTPMKYZCOQH-SFHVURJKSA-N 1 2 331.843 3.662 20 0 EHADLO Clc1ccccc1CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001193366574 1135131336 /nfs/dbraw/zinc/13/13/36/1135131336.db2.gz ZAEPTPMKYZCOQH-SFHVURJKSA-N 1 2 331.843 3.662 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC001193385377 1135133582 /nfs/dbraw/zinc/13/35/82/1135133582.db2.gz UUXXCWFFAKBCRM-RISCZKNCSA-N 1 2 347.402 3.747 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC001193385377 1135133586 /nfs/dbraw/zinc/13/35/86/1135133586.db2.gz UUXXCWFFAKBCRM-RISCZKNCSA-N 1 2 347.402 3.747 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC001193563235 1135153241 /nfs/dbraw/zinc/15/32/41/1135153241.db2.gz KMJCZLWJHXNKBO-IBGZPJMESA-N 1 2 326.440 3.849 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC001193563235 1135153246 /nfs/dbraw/zinc/15/32/46/1135153246.db2.gz KMJCZLWJHXNKBO-IBGZPJMESA-N 1 2 326.440 3.849 20 0 EHADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001170460956 1135161460 /nfs/dbraw/zinc/16/14/60/1135161460.db2.gz SNKZDXQFMVJHTC-OAHLLOKOSA-N 1 2 330.815 3.801 20 0 EHADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001170460956 1135161463 /nfs/dbraw/zinc/16/14/63/1135161463.db2.gz SNKZDXQFMVJHTC-OAHLLOKOSA-N 1 2 330.815 3.801 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)NCc3c[nH+]c(C)cc3C)c2)c1 ZINC001129842014 1135169219 /nfs/dbraw/zinc/16/92/19/1135169219.db2.gz POONKGALSOZBBY-UHFFFAOYSA-N 1 2 331.419 3.999 20 0 EHADLO Cc1ccc(-c2cc(C(=O)NCc3c[nH+]cn3C3CCC3)c[nH]2)cc1 ZINC001193783429 1135179757 /nfs/dbraw/zinc/17/97/57/1135179757.db2.gz MQBKEAIUWAORPX-UHFFFAOYSA-N 1 2 334.423 3.842 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001193797716 1135186457 /nfs/dbraw/zinc/18/64/57/1135186457.db2.gz OCCLDUSOVZCOBB-FQEVSTJZSA-N 1 2 336.414 3.646 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001193797716 1135186459 /nfs/dbraw/zinc/18/64/59/1135186459.db2.gz OCCLDUSOVZCOBB-FQEVSTJZSA-N 1 2 336.414 3.646 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001193978062 1135209441 /nfs/dbraw/zinc/20/94/41/1135209441.db2.gz YFJQDVCWKNQGGV-ZDUSSCGKSA-N 1 2 328.859 3.583 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001193978062 1135209445 /nfs/dbraw/zinc/20/94/45/1135209445.db2.gz YFJQDVCWKNQGGV-ZDUSSCGKSA-N 1 2 328.859 3.583 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194125794 1135229439 /nfs/dbraw/zinc/22/94/39/1135229439.db2.gz VMPDIKZVNGGCGW-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194125794 1135229442 /nfs/dbraw/zinc/22/94/42/1135229442.db2.gz VMPDIKZVNGGCGW-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO CCc1cc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc[nH+]1 ZINC001194145607 1135233531 /nfs/dbraw/zinc/23/35/31/1135233531.db2.gz JSPNVNNOOYCNFD-UHFFFAOYSA-N 1 2 344.461 3.595 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(Cl)c1)Oc1ccccc1 ZINC001194275372 1135247626 /nfs/dbraw/zinc/24/76/26/1135247626.db2.gz KXGHBHJUHYPJGW-UHFFFAOYSA-N 1 2 341.798 3.873 20 0 EHADLO Nc1cc[nH+]c(-c2cc(NC(=O)c3ccc(C(F)(F)F)o3)ccn2)c1 ZINC001194405399 1135266084 /nfs/dbraw/zinc/26/60/84/1135266084.db2.gz RTQUHCSHNGMILP-UHFFFAOYSA-N 1 2 348.284 3.590 20 0 EHADLO C[C@@]1(F)CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001194599663 1135290148 /nfs/dbraw/zinc/29/01/48/1135290148.db2.gz PGNYSEYJRKAJHT-LJQANCHMSA-N 1 2 331.410 3.824 20 0 EHADLO C[C@@]1(F)CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001194599663 1135290151 /nfs/dbraw/zinc/29/01/51/1135290151.db2.gz PGNYSEYJRKAJHT-LJQANCHMSA-N 1 2 331.410 3.824 20 0 EHADLO Fc1cc(Cl)c2c(c1)C[N@@H+](CCOc1ccc3c(c1)OCO3)CC2 ZINC001194755819 1135318387 /nfs/dbraw/zinc/31/83/87/1135318387.db2.gz ZHXCPJVHUNGEON-UHFFFAOYSA-N 1 2 349.789 3.645 20 0 EHADLO Fc1cc(Cl)c2c(c1)C[N@H+](CCOc1ccc3c(c1)OCO3)CC2 ZINC001194755819 1135318392 /nfs/dbraw/zinc/31/83/92/1135318392.db2.gz ZHXCPJVHUNGEON-UHFFFAOYSA-N 1 2 349.789 3.645 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC2(CCCCC2)C1)c1ccc(F)cc1Cl ZINC000775607888 1135321186 /nfs/dbraw/zinc/32/11/86/1135321186.db2.gz NXQXYORFVZMJJS-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO O[C@@H](C[N@H+]1CCOC2(CCCCC2)C1)c1ccc(F)cc1Cl ZINC000775607888 1135321187 /nfs/dbraw/zinc/32/11/87/1135321187.db2.gz NXQXYORFVZMJJS-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1c(Cl)cncc1Cl)C(=O)OC(C)(C)C ZINC001194963375 1135346382 /nfs/dbraw/zinc/34/63/82/1135346382.db2.gz KDFLKIQNYFHBLU-JTQLQIEISA-N 1 2 333.259 3.798 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1c(Cl)cncc1Cl)C(=O)OC(C)(C)C ZINC001194963375 1135346386 /nfs/dbraw/zinc/34/63/86/1135346386.db2.gz KDFLKIQNYFHBLU-JTQLQIEISA-N 1 2 333.259 3.798 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cc(Cl)c(Cl)s1 ZINC001195181394 1135379598 /nfs/dbraw/zinc/37/95/98/1135379598.db2.gz UKQYKAHIYMTCGW-UHFFFAOYSA-N 1 2 330.240 3.906 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)OCCC(F)(F)F)CC1 ZINC000867113520 1135395259 /nfs/dbraw/zinc/39/52/59/1135395259.db2.gz RAAAURRRUMHFKZ-LLVKDONJSA-N 1 2 336.379 3.516 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001195456947 1135426529 /nfs/dbraw/zinc/42/65/29/1135426529.db2.gz DOIGRYDKCIYBSP-AWEZNQCLSA-N 1 2 341.455 3.736 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(-c2ccccn2)cc1Cl ZINC001195642756 1135446333 /nfs/dbraw/zinc/44/63/33/1135446333.db2.gz SJUYKCFSVKMNGH-UHFFFAOYSA-N 1 2 349.821 3.960 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3cc(C)cn3c2)n1 ZINC000806548725 1135452356 /nfs/dbraw/zinc/45/23/56/1135452356.db2.gz HNQMCGJCNIATRV-UHFFFAOYSA-N 1 2 342.468 3.798 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)on1 ZINC001195766832 1135462868 /nfs/dbraw/zinc/46/28/68/1135462868.db2.gz GSGSWYDBVIEJNZ-WCQYABFASA-N 1 2 347.846 3.625 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)on1 ZINC001195766832 1135462869 /nfs/dbraw/zinc/46/28/69/1135462869.db2.gz GSGSWYDBVIEJNZ-WCQYABFASA-N 1 2 347.846 3.625 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000775669508 1135465783 /nfs/dbraw/zinc/46/57/83/1135465783.db2.gz AEYYVCXOUYUWPL-WBVHZDCISA-N 1 2 345.874 3.797 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](CC)CO1 ZINC001195860403 1135476363 /nfs/dbraw/zinc/47/63/63/1135476363.db2.gz BPQWXZLEIQNQDY-XJKCOSOUSA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](CC)CO1 ZINC001195860403 1135476366 /nfs/dbraw/zinc/47/63/66/1135476366.db2.gz BPQWXZLEIQNQDY-XJKCOSOUSA-N 1 2 332.271 3.916 20 0 EHADLO Cc1ccccc1C1=CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000775688868 1135525157 /nfs/dbraw/zinc/52/51/57/1135525157.db2.gz CMAXEVABRRRCCL-UHFFFAOYSA-N 1 2 333.439 3.793 20 0 EHADLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(Cl)c1O ZINC000775698902 1135532337 /nfs/dbraw/zinc/53/23/37/1135532337.db2.gz SXRYWIBDDDBOTI-UHFFFAOYSA-N 1 2 346.858 3.770 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001196441170 1135557901 /nfs/dbraw/zinc/55/79/01/1135557901.db2.gz JXJLXIXLLUWCLF-CYBMUJFWSA-N 1 2 348.874 3.558 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001196441170 1135557905 /nfs/dbraw/zinc/55/79/05/1135557905.db2.gz JXJLXIXLLUWCLF-CYBMUJFWSA-N 1 2 348.874 3.558 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001196536833 1135577830 /nfs/dbraw/zinc/57/78/30/1135577830.db2.gz ULWDFTCMTXGSLW-UHFFFAOYSA-N 1 2 334.261 3.757 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(Br)cc2)C1 ZINC001196536833 1135577832 /nfs/dbraw/zinc/57/78/32/1135577832.db2.gz ULWDFTCMTXGSLW-UHFFFAOYSA-N 1 2 334.261 3.757 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCO[C@H]2CCCC[C@@H]2C)CCO1 ZINC001197013135 1135640445 /nfs/dbraw/zinc/64/04/45/1135640445.db2.gz MKGUDOHVFDPQJH-QRFRQXIXSA-N 1 2 333.472 3.664 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@@H]2C)CCO1 ZINC001197013135 1135640448 /nfs/dbraw/zinc/64/04/48/1135640448.db2.gz MKGUDOHVFDPQJH-QRFRQXIXSA-N 1 2 333.472 3.664 20 0 EHADLO CSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001197090737 1135644996 /nfs/dbraw/zinc/64/49/96/1135644996.db2.gz CJFYFDLRZXMGOA-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2CCc2ccccc2Cl)cc1 ZINC001197229716 1135661885 /nfs/dbraw/zinc/66/18/85/1135661885.db2.gz HFYVJYKDKPOAIC-LJQANCHMSA-N 1 2 331.843 3.965 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2CCc2ccccc2Cl)cc1 ZINC001197229716 1135661888 /nfs/dbraw/zinc/66/18/88/1135661888.db2.gz HFYVJYKDKPOAIC-LJQANCHMSA-N 1 2 331.843 3.965 20 0 EHADLO COCc1ccc([C@H]2COCC[N@@H+]2CCCc2ccccc2C)o1 ZINC001197992363 1135764391 /nfs/dbraw/zinc/76/43/91/1135764391.db2.gz XHUBOCIEZRNTBI-LJQANCHMSA-N 1 2 329.440 3.741 20 0 EHADLO COCc1ccc([C@H]2COCC[N@H+]2CCCc2ccccc2C)o1 ZINC001197992363 1135764394 /nfs/dbraw/zinc/76/43/94/1135764394.db2.gz XHUBOCIEZRNTBI-LJQANCHMSA-N 1 2 329.440 3.741 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@@H+]2CCCCc2ccccc2)o1 ZINC001197991604 1135764439 /nfs/dbraw/zinc/76/44/39/1135764439.db2.gz SRMQBTZMOUXMOO-IBGZPJMESA-N 1 2 329.440 3.822 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@H+]2CCCCc2ccccc2)o1 ZINC001197991604 1135764445 /nfs/dbraw/zinc/76/44/45/1135764445.db2.gz SRMQBTZMOUXMOO-IBGZPJMESA-N 1 2 329.440 3.822 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC001198373354 1135806399 /nfs/dbraw/zinc/80/63/99/1135806399.db2.gz RFNWZKNJGKJQMC-ZDUSSCGKSA-N 1 2 336.501 3.543 20 0 EHADLO C[C@@H](Oc1ccccc1NC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC000809315857 1135819226 /nfs/dbraw/zinc/81/92/26/1135819226.db2.gz ICTLLDVLYLQTBV-LLVKDONJSA-N 1 2 349.312 3.916 20 0 EHADLO CN(C)c1ccc(C2CC[NH+](Cc3nccn3C(F)F)CC2)cc1 ZINC000775881952 1135838121 /nfs/dbraw/zinc/83/81/21/1135838121.db2.gz VJHKDLREJWDIQE-UHFFFAOYSA-N 1 2 334.414 3.724 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2ccc3n[nH]cc3c2)no1)c1ccccc1 ZINC000809496703 1135845235 /nfs/dbraw/zinc/84/52/35/1135845235.db2.gz VACITPXWFHQMCY-IBGZPJMESA-N 1 2 347.422 3.578 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc3n[nH]cc3c2)no1)c1ccccc1 ZINC000809496703 1135845239 /nfs/dbraw/zinc/84/52/39/1135845239.db2.gz VACITPXWFHQMCY-IBGZPJMESA-N 1 2 347.422 3.578 20 0 EHADLO Cc1cccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001198679915 1135847531 /nfs/dbraw/zinc/84/75/31/1135847531.db2.gz XMVIGFYHSCDWMU-QGZVFWFLSA-N 1 2 327.453 3.630 20 0 EHADLO Clc1nc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000809570268 1135851998 /nfs/dbraw/zinc/85/19/98/1135851998.db2.gz LPVWUQWEVTYIBQ-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO COc1ccc(C[N@@H+]2CCC(C)=C(Br)C2)c(C)c1OC ZINC000809659254 1135861552 /nfs/dbraw/zinc/86/15/52/1135861552.db2.gz LTENJXUVLHGEKB-UHFFFAOYSA-N 1 2 340.261 3.887 20 0 EHADLO COc1ccc(C[N@H+]2CCC(C)=C(Br)C2)c(C)c1OC ZINC000809659254 1135861553 /nfs/dbraw/zinc/86/15/53/1135861553.db2.gz LTENJXUVLHGEKB-UHFFFAOYSA-N 1 2 340.261 3.887 20 0 EHADLO C[N@@H+]1CCCc2cc(NC3CC(NC(=O)OC(C)(C)C)C3)ccc21 ZINC000809634112 1135863733 /nfs/dbraw/zinc/86/37/33/1135863733.db2.gz SFFLHMKCFKNMDQ-UHFFFAOYSA-N 1 2 331.460 3.537 20 0 EHADLO C[N@H+]1CCCc2cc(NC3CC(NC(=O)OC(C)(C)C)C3)ccc21 ZINC000809634112 1135863737 /nfs/dbraw/zinc/86/37/37/1135863737.db2.gz SFFLHMKCFKNMDQ-UHFFFAOYSA-N 1 2 331.460 3.537 20 0 EHADLO CC[C@@H](CSC)[N@H+](C)Cc1nc2ccccn2c1Br ZINC000809767690 1135879448 /nfs/dbraw/zinc/87/94/48/1135879448.db2.gz RHCZJQXDNQEXMX-NSHDSACASA-N 1 2 342.306 3.670 20 0 EHADLO CC[C@@H](CSC)[N@@H+](C)Cc1nc2ccccn2c1Br ZINC000809767690 1135879450 /nfs/dbraw/zinc/87/94/50/1135879450.db2.gz RHCZJQXDNQEXMX-NSHDSACASA-N 1 2 342.306 3.670 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000809779600 1135889673 /nfs/dbraw/zinc/88/96/73/1135889673.db2.gz SWBGKADIFKHDRJ-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000809779600 1135889675 /nfs/dbraw/zinc/88/96/75/1135889675.db2.gz SWBGKADIFKHDRJ-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO COCCc1nc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)no1 ZINC000809969042 1135904979 /nfs/dbraw/zinc/90/49/79/1135904979.db2.gz MDCVJZAZYAWQIQ-LJQANCHMSA-N 1 2 329.444 3.670 20 0 EHADLO O=c1[nH]c2ccccc2cc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001199554591 1135911611 /nfs/dbraw/zinc/91/16/11/1135911611.db2.gz ROGGDOIVKNMXCK-UHFFFAOYSA-N 1 2 334.423 3.938 20 0 EHADLO COc1ccc(C([NH2+]Cc2[nH]ncc2C)c2ccc(OC)cc2)cc1 ZINC000810140282 1135927097 /nfs/dbraw/zinc/92/70/97/1135927097.db2.gz RXNHAHBSTHMICF-UHFFFAOYSA-N 1 2 337.423 3.615 20 0 EHADLO COc1ccc(C([NH2+]Cc2n[nH]cc2C)c2ccc(OC)cc2)cc1 ZINC000810140282 1135927100 /nfs/dbraw/zinc/92/71/00/1135927100.db2.gz RXNHAHBSTHMICF-UHFFFAOYSA-N 1 2 337.423 3.615 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc4cccnc4c3)ccc2[nH+]1 ZINC001199768351 1135927618 /nfs/dbraw/zinc/92/76/18/1135927618.db2.gz ZITNDRBADUJFLN-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000776094847 1135954219 /nfs/dbraw/zinc/95/42/19/1135954219.db2.gz UIUAVVAEZVGXQY-UHFFFAOYSA-N 1 2 325.368 3.515 20 0 EHADLO Fc1ccc(NC(=S)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001200917728 1135965502 /nfs/dbraw/zinc/96/55/02/1135965502.db2.gz IHIHJFPHHGQQIG-UHFFFAOYSA-N 1 2 330.363 3.959 20 0 EHADLO CC(C)[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000810562665 1135973436 /nfs/dbraw/zinc/97/34/36/1135973436.db2.gz NBBLPSJKAWDTFW-NRFANRHFSA-N 1 2 349.434 3.809 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001201112781 1135984393 /nfs/dbraw/zinc/98/43/93/1135984393.db2.gz ASXXEHUBROKYCZ-HNNXBMFYSA-N 1 2 346.887 3.690 20 0 EHADLO CCOC(=O)Cc1cc(Cl)c(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201291169 1136001409 /nfs/dbraw/zinc/00/14/09/1136001409.db2.gz DBUADNIJBZWYNV-UHFFFAOYSA-N 1 2 340.210 3.820 20 0 EHADLO Nc1ccc(Nc2ncc(Br)cc2C(F)(F)F)c[nH+]1 ZINC001201272984 1136003104 /nfs/dbraw/zinc/00/31/04/1136003104.db2.gz YBVNJCDRIQVWRO-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO CCCOc1ccc(Cl)cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001201444508 1136026008 /nfs/dbraw/zinc/02/60/08/1136026008.db2.gz VFTHFBIRHFCIRY-HNNXBMFYSA-N 1 2 347.846 3.838 20 0 EHADLO CCc1cccc(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747658193 1136027069 /nfs/dbraw/zinc/02/70/69/1136027069.db2.gz KIFMEIGLMCDYQT-UHFFFAOYSA-N 1 2 338.480 3.734 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc2nccnc21)c1cccc(Cl)c1 ZINC001132558600 1136036116 /nfs/dbraw/zinc/03/61/16/1136036116.db2.gz UVPZPSIWEYHCNA-KRWDZBQOSA-N 1 2 340.814 3.525 20 0 EHADLO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001132623033 1136046976 /nfs/dbraw/zinc/04/69/76/1136046976.db2.gz SCIVRSYTHXGDAR-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001132623033 1136046983 /nfs/dbraw/zinc/04/69/83/1136046983.db2.gz SCIVRSYTHXGDAR-GOSISDBHSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1ccccc1NC(=O)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001202183244 1136107274 /nfs/dbraw/zinc/10/72/74/1136107274.db2.gz QHDALCJBSKLEQU-UHFFFAOYSA-N 1 2 346.434 3.897 20 0 EHADLO Cc1cc(NC(=O)NCCCCc2ccc(Cl)s2)c(C)c[nH+]1 ZINC001202246258 1136119652 /nfs/dbraw/zinc/11/96/52/1136119652.db2.gz WYWCJKJVFNAIGV-UHFFFAOYSA-N 1 2 337.876 3.980 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(cnn3C(F)F)c2)c[nH+]1 ZINC001202347505 1136127348 /nfs/dbraw/zinc/12/73/48/1136127348.db2.gz CMIGNYWSNIDQPL-UHFFFAOYSA-N 1 2 345.353 3.765 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000811743462 1136128141 /nfs/dbraw/zinc/12/81/41/1136128141.db2.gz RUFKTTVLYCMXDB-GFCCVEGCSA-N 1 2 327.325 3.796 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000811743462 1136128147 /nfs/dbraw/zinc/12/81/47/1136128147.db2.gz RUFKTTVLYCMXDB-GFCCVEGCSA-N 1 2 327.325 3.796 20 0 EHADLO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137048933 1136164025 /nfs/dbraw/zinc/16/40/25/1136164025.db2.gz PVVGQWIOEGVRHC-IBGZPJMESA-N 1 2 334.467 3.659 20 0 EHADLO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137048933 1136164026 /nfs/dbraw/zinc/16/40/26/1136164026.db2.gz PVVGQWIOEGVRHC-IBGZPJMESA-N 1 2 334.467 3.659 20 0 EHADLO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137048933 1136164029 /nfs/dbraw/zinc/16/40/29/1136164029.db2.gz PVVGQWIOEGVRHC-IBGZPJMESA-N 1 2 334.467 3.659 20 0 EHADLO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137048933 1136164031 /nfs/dbraw/zinc/16/40/31/1136164031.db2.gz PVVGQWIOEGVRHC-IBGZPJMESA-N 1 2 334.467 3.659 20 0 EHADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000747782766 1136195845 /nfs/dbraw/zinc/19/58/45/1136195845.db2.gz PMHZRRVIRWWZOC-UONOGXRCSA-N 1 2 325.195 3.574 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000747783762 1136196389 /nfs/dbraw/zinc/19/63/89/1136196389.db2.gz VHMYIKWLWHNSOJ-UHFFFAOYSA-N 1 2 343.210 3.629 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365235 1136241649 /nfs/dbraw/zinc/24/16/49/1136241649.db2.gz KVZWHGVGKKJBQS-UHFFFAOYSA-N 1 2 344.217 3.697 20 0 EHADLO Clc1scnc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000812816367 1136249415 /nfs/dbraw/zinc/24/94/15/1136249415.db2.gz HFGYGOOGSFTYFR-UHFFFAOYSA-N 1 2 329.772 3.699 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000812834798 1136257061 /nfs/dbraw/zinc/25/70/61/1136257061.db2.gz JZSIRWDHTOLDKK-AWEZNQCLSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000812834798 1136257064 /nfs/dbraw/zinc/25/70/64/1136257064.db2.gz JZSIRWDHTOLDKK-AWEZNQCLSA-N 1 2 337.464 3.533 20 0 EHADLO C=Cc1ccc(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000812879941 1136264867 /nfs/dbraw/zinc/26/48/67/1136264867.db2.gz XUQIWHRDFQXPAL-UHFFFAOYSA-N 1 2 346.434 3.557 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2(F)CCCCC2)C[C@H](C)O1 ZINC000812918228 1136269674 /nfs/dbraw/zinc/26/96/74/1136269674.db2.gz QOUYVVCQAHDWFG-HOTGVXAUSA-N 1 2 348.462 3.907 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)nc1 ZINC000813599830 1136349720 /nfs/dbraw/zinc/34/97/20/1136349720.db2.gz XDXOWXUMZSCBGO-AWEZNQCLSA-N 1 2 340.427 3.694 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)C1CC1 ZINC000173194962 1136355428 /nfs/dbraw/zinc/35/54/28/1136355428.db2.gz HUYMDVHSMPOXIL-UHFFFAOYSA-N 1 2 329.469 3.617 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)C1CC1 ZINC000173194962 1136355431 /nfs/dbraw/zinc/35/54/31/1136355431.db2.gz HUYMDVHSMPOXIL-UHFFFAOYSA-N 1 2 329.469 3.617 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398997 1136376184 /nfs/dbraw/zinc/37/61/84/1136376184.db2.gz KFQSAFPWJYQBNL-KRWDZBQOSA-N 1 2 338.451 3.720 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cncc2ccccc21 ZINC000851400037 1136376898 /nfs/dbraw/zinc/37/68/98/1136376898.db2.gz OMLDCEKRUNHDTM-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1(C2CCC2)CCC1 ZINC000851401852 1136376984 /nfs/dbraw/zinc/37/69/84/1136376984.db2.gz RPADLJMSKYWPLC-UHFFFAOYSA-N 1 2 328.456 3.812 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851402270 1136377299 /nfs/dbraw/zinc/37/72/99/1136377299.db2.gz WCMIQJXWUDLJNB-CQSZACIVSA-N 1 2 344.377 3.820 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000173205479 1136383980 /nfs/dbraw/zinc/38/39/80/1136383980.db2.gz CIEBQJHRUAGBJJ-KBPBESRZSA-N 1 2 325.416 3.791 20 0 EHADLO ClC(Cl)=CCN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000851715424 1136401237 /nfs/dbraw/zinc/40/12/37/1136401237.db2.gz UGDPWAIBMCWLSI-UHFFFAOYSA-N 1 2 349.689 3.655 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000851814441 1136410847 /nfs/dbraw/zinc/41/08/47/1136410847.db2.gz PZDBRGIBIDKSPZ-QUCCMNQESA-N 1 2 343.492 3.733 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000851814441 1136410851 /nfs/dbraw/zinc/41/08/51/1136410851.db2.gz PZDBRGIBIDKSPZ-QUCCMNQESA-N 1 2 343.492 3.733 20 0 EHADLO O=C1CC[C@@H](C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944054 1136422186 /nfs/dbraw/zinc/42/21/86/1136422186.db2.gz JFEDLORUXONPHV-UONOGXRCSA-N 1 2 345.386 3.501 20 0 EHADLO O=C1CC[C@@H](C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944054 1136422187 /nfs/dbraw/zinc/42/21/87/1136422187.db2.gz JFEDLORUXONPHV-UONOGXRCSA-N 1 2 345.386 3.501 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)CCSc1ccc(F)cc1F ZINC000851993529 1136425874 /nfs/dbraw/zinc/42/58/74/1136425874.db2.gz NVYCCUCAFFHENX-UHFFFAOYSA-N 1 2 345.846 3.884 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCSc1ccc(F)cc1F ZINC000851993529 1136425875 /nfs/dbraw/zinc/42/58/75/1136425875.db2.gz NVYCCUCAFFHENX-UHFFFAOYSA-N 1 2 345.846 3.884 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851998542 1136426364 /nfs/dbraw/zinc/42/63/64/1136426364.db2.gz VAGXTFXNANBPRS-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851998542 1136426367 /nfs/dbraw/zinc/42/63/67/1136426367.db2.gz VAGXTFXNANBPRS-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H](c2ccccc2)C1 ZINC000814261102 1136428927 /nfs/dbraw/zinc/42/89/27/1136428927.db2.gz HSCGUPIHNHNWIU-INIZCTEOSA-N 1 2 335.455 3.965 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C)c1nnc(C)o1 ZINC001170736167 1136430844 /nfs/dbraw/zinc/43/08/44/1136430844.db2.gz HNCRVAFAMOWJFZ-JJAZEVLHSA-N 1 2 327.428 3.500 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852127580 1136435133 /nfs/dbraw/zinc/43/51/33/1136435133.db2.gz VBEVKAQIEKGREX-DGCLKSJQSA-N 1 2 347.846 3.695 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852127580 1136435135 /nfs/dbraw/zinc/43/51/35/1136435135.db2.gz VBEVKAQIEKGREX-DGCLKSJQSA-N 1 2 347.846 3.695 20 0 EHADLO COc1ccncc1C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000814298878 1136437376 /nfs/dbraw/zinc/43/73/76/1136437376.db2.gz WCROGWYMWDAPGJ-UHFFFAOYSA-N 1 2 342.830 3.528 20 0 EHADLO CCC(CC)n1nc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776576334 1136441629 /nfs/dbraw/zinc/44/16/29/1136441629.db2.gz IMXHRYILSRPOAZ-QGZVFWFLSA-N 1 2 345.491 3.594 20 0 EHADLO CCc1oc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C(=O)OC ZINC000338948194 1136468790 /nfs/dbraw/zinc/46/87/90/1136468790.db2.gz OIWUPGYJQAEVFP-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C(=O)OC ZINC000338948194 1136468793 /nfs/dbraw/zinc/46/87/93/1136468793.db2.gz OIWUPGYJQAEVFP-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO O=C(C[NH+]1CCC(c2ccon2)CC1)Nc1ccc2ccccc2c1 ZINC000852672257 1136475802 /nfs/dbraw/zinc/47/58/02/1136475802.db2.gz BBJGBVACSMFZDT-UHFFFAOYSA-N 1 2 335.407 3.646 20 0 EHADLO CO[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000814618272 1136480481 /nfs/dbraw/zinc/48/04/81/1136480481.db2.gz BUTXKKZYBOALOR-WBVHZDCISA-N 1 2 327.428 3.837 20 0 EHADLO CC1(C)C[C@@]1([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000852772345 1136484789 /nfs/dbraw/zinc/48/47/89/1136484789.db2.gz JFPYYXPSANYZRO-OAQYLSRUSA-N 1 2 332.451 3.741 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001202486611 1136487586 /nfs/dbraw/zinc/48/75/86/1136487586.db2.gz FDRFSWXROMHLCU-CYBMUJFWSA-N 1 2 332.275 3.694 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)Nc1cccnc1Cl ZINC000814641298 1136487724 /nfs/dbraw/zinc/48/77/24/1136487724.db2.gz FBSUYFXAQXMMJY-OAHLLOKOSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)Nc1cccnc1Cl ZINC000814641298 1136487726 /nfs/dbraw/zinc/48/77/26/1136487726.db2.gz FBSUYFXAQXMMJY-OAHLLOKOSA-N 1 2 329.831 3.553 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000814678297 1136489796 /nfs/dbraw/zinc/48/97/96/1136489796.db2.gz SMNCRBCDYHEPFV-KRWDZBQOSA-N 1 2 338.455 3.868 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1ccc3ccoc3c1)C[NH2+]C2(C)C ZINC001170759428 1136493032 /nfs/dbraw/zinc/49/30/32/1136493032.db2.gz BPYARGQKWXTPKW-UHFFFAOYSA-N 1 2 340.383 3.716 20 0 EHADLO CSCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000814718341 1136498256 /nfs/dbraw/zinc/49/82/56/1136498256.db2.gz SJUMVJYZKSINRW-UHFFFAOYSA-N 1 2 334.514 3.666 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1C1CC1 ZINC000111171471 1136519301 /nfs/dbraw/zinc/51/93/01/1136519301.db2.gz RGLBETIOMNGRCM-CQSZACIVSA-N 1 2 348.903 3.929 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1C1CC1 ZINC000111171471 1136519303 /nfs/dbraw/zinc/51/93/03/1136519303.db2.gz RGLBETIOMNGRCM-CQSZACIVSA-N 1 2 348.903 3.929 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000815056018 1136540744 /nfs/dbraw/zinc/54/07/44/1136540744.db2.gz YGHOJWMCTIVRPR-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000815056018 1136540747 /nfs/dbraw/zinc/54/07/47/1136540747.db2.gz YGHOJWMCTIVRPR-OAUYIBNBSA-N 1 2 339.357 3.525 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 ZINC000853530935 1136541365 /nfs/dbraw/zinc/54/13/65/1136541365.db2.gz UOAQICKXRRUNMM-KRWDZBQOSA-N 1 2 343.496 3.948 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 ZINC000853530935 1136541367 /nfs/dbraw/zinc/54/13/67/1136541367.db2.gz UOAQICKXRRUNMM-KRWDZBQOSA-N 1 2 343.496 3.948 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000853572430 1136545624 /nfs/dbraw/zinc/54/56/24/1136545624.db2.gz SDXPLIZDVZTAJS-SFHVURJKSA-N 1 2 348.874 3.534 20 0 EHADLO COc1ccccc1Nc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(=S)s1 ZINC000853581400 1136546491 /nfs/dbraw/zinc/54/64/91/1136546491.db2.gz ULCZGPLVOJAWLK-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO COc1ccccc1Nc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c(=S)s1 ZINC000853581400 1136546495 /nfs/dbraw/zinc/54/64/95/1136546495.db2.gz ULCZGPLVOJAWLK-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO FC(F)(F)c1cc(Cl)c(N2CCc3[nH+]c[nH]c3C2)nc1Cl ZINC000853636330 1136551577 /nfs/dbraw/zinc/55/15/77/1136551577.db2.gz BIJNKZRNWXISLE-UHFFFAOYSA-N 1 2 337.132 3.693 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000853636485 1136551722 /nfs/dbraw/zinc/55/17/22/1136551722.db2.gz DFKTVKANMTWPCO-NRFANRHFSA-N 1 2 331.419 3.791 20 0 EHADLO CO[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000815098325 1136555498 /nfs/dbraw/zinc/55/54/98/1136555498.db2.gz FLABATYFFIKDNL-IAGOWNOFSA-N 1 2 327.428 3.837 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2nsc3ccc(C)cc32)c1C ZINC000815155455 1136558546 /nfs/dbraw/zinc/55/85/46/1136558546.db2.gz ILQWLSPKAPGUFG-UHFFFAOYSA-N 1 2 341.436 3.555 20 0 EHADLO CCc1ncc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)s1 ZINC000776692862 1136566345 /nfs/dbraw/zinc/56/63/45/1136566345.db2.gz DZLAQMDKTUMSBZ-STQMWFEESA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)s1 ZINC000776692862 1136566346 /nfs/dbraw/zinc/56/63/46/1136566346.db2.gz DZLAQMDKTUMSBZ-STQMWFEESA-N 1 2 339.505 3.535 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(COC)cc1)c1ccccc1 ZINC000815211765 1136571240 /nfs/dbraw/zinc/57/12/40/1136571240.db2.gz OYEBWKAQBZXJNA-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(COC)cc1)c1ccccc1 ZINC000815211765 1136571244 /nfs/dbraw/zinc/57/12/44/1136571244.db2.gz OYEBWKAQBZXJNA-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO CC1(C)CCC[C@](O)(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000854031938 1136581421 /nfs/dbraw/zinc/58/14/21/1136581421.db2.gz NJHHLLSWOMRTAJ-LJQANCHMSA-N 1 2 338.411 3.710 20 0 EHADLO CSc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)o1 ZINC000112228144 1136615193 /nfs/dbraw/zinc/61/51/93/1136615193.db2.gz HHVXBLOGLXXPBC-UHFFFAOYSA-N 1 2 335.425 3.511 20 0 EHADLO O=C(NOc1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000854537687 1136624980 /nfs/dbraw/zinc/62/49/80/1136624980.db2.gz YVYIIUOZQMTJIO-INIZCTEOSA-N 1 2 339.439 3.603 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000815643404 1136625141 /nfs/dbraw/zinc/62/51/41/1136625141.db2.gz BOGXVIHFJJPKOO-ZFWWWQNUSA-N 1 2 342.430 3.756 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3c4ccc(Cl)cc4C[C@H]3C)ccn12 ZINC001135281493 1136649621 /nfs/dbraw/zinc/64/96/21/1136649621.db2.gz VQYCZZGXOLXFTL-LLVKDONJSA-N 1 2 325.799 3.888 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000265980765 1136698462 /nfs/dbraw/zinc/69/84/62/1136698462.db2.gz YUNSJWPFSVVFLR-QWHCGFSZSA-N 1 2 339.361 3.600 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1Cl ZINC001138022717 1136711628 /nfs/dbraw/zinc/71/16/28/1136711628.db2.gz KDHNJSHFZOYOIK-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1Cl ZINC001138022717 1136711631 /nfs/dbraw/zinc/71/16/31/1136711631.db2.gz KDHNJSHFZOYOIK-YGRLFVJLSA-N 1 2 339.760 3.923 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnn(CC(F)F)c2)cc1F ZINC000816512172 1136729516 /nfs/dbraw/zinc/72/95/16/1136729516.db2.gz ZDLZPKKWLXQXDY-OAHLLOKOSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(CC(F)F)c2)cc1F ZINC000816512172 1136729518 /nfs/dbraw/zinc/72/95/18/1136729518.db2.gz ZDLZPKKWLXQXDY-OAHLLOKOSA-N 1 2 327.325 3.764 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3cnn(C)c3Cl)CC2)cc1 ZINC000816565217 1136737689 /nfs/dbraw/zinc/73/76/89/1136737689.db2.gz GPLREZWWEXWRLP-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3cnn(C)c3Cl)CC2)cc1 ZINC000816565217 1136737690 /nfs/dbraw/zinc/73/76/90/1136737690.db2.gz GPLREZWWEXWRLP-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH+]1CC2(C1)CCOC2 ZINC000816670868 1136747878 /nfs/dbraw/zinc/74/78/78/1136747878.db2.gz HWTHQUOEMQGRFR-UHFFFAOYSA-N 1 2 345.874 3.871 20 0 EHADLO O=C(Nc1cc(F)ccc1N1CCCCC1)c1cccc2[nH+]ccn21 ZINC000776884983 1136783157 /nfs/dbraw/zinc/78/31/57/1136783157.db2.gz AZQNBPVJASSLFM-UHFFFAOYSA-N 1 2 338.386 3.716 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC001135844442 1136786382 /nfs/dbraw/zinc/78/63/82/1136786382.db2.gz ZWMMJQNYKWFWIH-HKUYNNGSSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1cc(OC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)ncn1 ZINC001137655400 1136798227 /nfs/dbraw/zinc/79/82/27/1136798227.db2.gz LWMOTCSYWGNADD-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC000817368930 1136800971 /nfs/dbraw/zinc/80/09/71/1136800971.db2.gz OPLJLOOXDGQWTM-CQSZACIVSA-N 1 2 332.473 3.681 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC000817368930 1136800973 /nfs/dbraw/zinc/80/09/73/1136800973.db2.gz OPLJLOOXDGQWTM-CQSZACIVSA-N 1 2 332.473 3.681 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370991 1136801122 /nfs/dbraw/zinc/80/11/22/1136801122.db2.gz QIXFCSIDKOVCLD-INIZCTEOSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370991 1136801126 /nfs/dbraw/zinc/80/11/26/1136801126.db2.gz QIXFCSIDKOVCLD-INIZCTEOSA-N 1 2 341.430 3.519 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)nn1C ZINC000817406532 1136805089 /nfs/dbraw/zinc/80/50/89/1136805089.db2.gz NJPGLZYHKLDMDI-GXTWGEPZSA-N 1 2 339.892 3.532 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)nn1C ZINC000817406532 1136805091 /nfs/dbraw/zinc/80/50/91/1136805091.db2.gz NJPGLZYHKLDMDI-GXTWGEPZSA-N 1 2 339.892 3.532 20 0 EHADLO C[C@@]1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(F)F ZINC000817450466 1136812021 /nfs/dbraw/zinc/81/20/21/1136812021.db2.gz AKAUFPVCMQPKCL-KRWDZBQOSA-N 1 2 332.350 3.837 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001135940603 1136819224 /nfs/dbraw/zinc/81/92/24/1136819224.db2.gz QPRFWQHJQWUYKO-KRWDZBQOSA-N 1 2 346.519 3.629 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1N1CCSCC1 ZINC000818194996 1136864712 /nfs/dbraw/zinc/86/47/12/1136864712.db2.gz UTLMDQDGVHBBAS-UHFFFAOYSA-N 1 2 330.501 3.938 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)n1 ZINC000818219972 1136867382 /nfs/dbraw/zinc/86/73/82/1136867382.db2.gz CWBBRJJPCZWAJN-JTQLQIEISA-N 1 2 343.294 3.590 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4CCSCC4)cc3)C[C@H]2C1 ZINC000818338225 1136871688 /nfs/dbraw/zinc/87/16/88/1136871688.db2.gz XAHBBYRWPNTYMU-CTTJMJGYSA-N 1 2 332.513 3.855 20 0 EHADLO Cc1cc(OC2CC[NH+](Cc3c(Cl)ccc(C)c3F)CC2)ncn1 ZINC001138034933 1136874544 /nfs/dbraw/zinc/87/45/44/1136874544.db2.gz ABPFYIYAFITFKK-UHFFFAOYSA-N 1 2 349.837 3.929 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000818495648 1136878212 /nfs/dbraw/zinc/87/82/12/1136878212.db2.gz WIGBIGVGUYLWPD-UHFFFAOYSA-N 1 2 333.815 3.850 20 0 EHADLO CCON(CC1CCCCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000857531068 1136880355 /nfs/dbraw/zinc/88/03/55/1136880355.db2.gz DPYVPIYFKYTWOI-UHFFFAOYSA-N 1 2 341.455 3.905 20 0 EHADLO FC(F)(CNc1cc[nH+]c(OCc2ccccn2)c1)c1ccccn1 ZINC001170913995 1136887756 /nfs/dbraw/zinc/88/77/56/1136887756.db2.gz ZNPAIZPNDPMWIR-UHFFFAOYSA-N 1 2 342.349 3.655 20 0 EHADLO CSC(C)(C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000857618101 1136891881 /nfs/dbraw/zinc/89/18/81/1136891881.db2.gz SXHYEUKZZOPNAH-UHFFFAOYSA-N 1 2 330.453 3.933 20 0 EHADLO CC1CC[NH+]([C@@H](CN[C@@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845768 1136911793 /nfs/dbraw/zinc/91/17/93/1136911793.db2.gz RQYGCTIXDMNOGF-SJORKVTESA-N 1 2 344.528 3.911 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(Cl)ccc1OC1CCCC1 ZINC000857981930 1136926838 /nfs/dbraw/zinc/92/68/38/1136926838.db2.gz CSANUNAVHABSJQ-HNNXBMFYSA-N 1 2 345.830 3.733 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCOc1ccccc1Cl)CCN2 ZINC000857997216 1136928054 /nfs/dbraw/zinc/92/80/54/1136928054.db2.gz LDOBWAHQUKACDY-UHFFFAOYSA-N 1 2 345.830 3.661 20 0 EHADLO Cc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)nc(C2CC2)[nH+]1 ZINC000858008886 1136928993 /nfs/dbraw/zinc/92/89/93/1136928993.db2.gz ICRJVCAUADLFQH-QGZVFWFLSA-N 1 2 336.439 3.593 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024139 1136933427 /nfs/dbraw/zinc/93/34/27/1136933427.db2.gz UYLFAOHJYSAVLS-LRDDRELGSA-N 1 2 344.484 3.723 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858024139 1136933428 /nfs/dbraw/zinc/93/34/28/1136933428.db2.gz UYLFAOHJYSAVLS-LRDDRELGSA-N 1 2 344.484 3.723 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046151 1136935055 /nfs/dbraw/zinc/93/50/55/1136935055.db2.gz IFAQTQREFYWOBW-XJKSGUPXSA-N 1 2 342.443 3.680 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046151 1136935056 /nfs/dbraw/zinc/93/50/56/1136935056.db2.gz IFAQTQREFYWOBW-XJKSGUPXSA-N 1 2 342.443 3.680 20 0 EHADLO O=C(/C=C/[C@@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000819515203 1136949746 /nfs/dbraw/zinc/94/97/46/1136949746.db2.gz VYHCCHPYXIXBHZ-BBVFFXRHSA-N 1 2 337.423 3.560 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)[C@@H]2C ZINC001170931605 1136952906 /nfs/dbraw/zinc/95/29/06/1136952906.db2.gz QFFQKJGEKBRDEJ-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)[C@@H]2C ZINC001170931605 1136952908 /nfs/dbraw/zinc/95/29/08/1136952908.db2.gz QFFQKJGEKBRDEJ-HIFRSBDPSA-N 1 2 345.874 3.617 20 0 EHADLO CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc3[nH+]ccn31)CCC2 ZINC000777031915 1136975583 /nfs/dbraw/zinc/97/55/83/1136975583.db2.gz QRCTXDGSTCBBSG-CYBMUJFWSA-N 1 2 340.452 3.503 20 0 EHADLO Cc1ccc2occ(CC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2c1 ZINC000858727202 1136989130 /nfs/dbraw/zinc/98/91/30/1136989130.db2.gz FMTZHFUWKBYFKO-SFHVURJKSA-N 1 2 339.439 3.711 20 0 EHADLO CCOc1cccc(/C=C\C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858728066 1136989241 /nfs/dbraw/zinc/98/92/41/1136989241.db2.gz UQOIDBZSUQZGGY-HJCTWCACSA-N 1 2 341.455 3.526 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@]3(C)Br)c2)[nH+]c1C ZINC000858741086 1136989767 /nfs/dbraw/zinc/98/97/67/1136989767.db2.gz XNQMRWXPJQRHAM-BBRMVZONSA-N 1 2 348.244 3.806 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)c2)[nH+]c1C ZINC000858741154 1136989788 /nfs/dbraw/zinc/98/97/88/1136989788.db2.gz ZHCFPDPXFQMBQM-FTNXOLCNSA-N 1 2 327.428 3.692 20 0 EHADLO CC(C)C[C@@H](C(=O)NC[C@H](C)c1nc2ccccc2o1)n1cc[nH+]c1 ZINC000820521828 1136995798 /nfs/dbraw/zinc/99/57/98/1136995798.db2.gz WPECYCCTKHWREJ-HOCLYGCPSA-N 1 2 340.427 3.531 20 0 EHADLO C[C@H](C[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093566 1137044155 /nfs/dbraw/zinc/04/41/55/1137044155.db2.gz DREXSVKFEVKFIL-CHWSQXEVSA-N 1 2 339.480 3.878 20 0 EHADLO C[C@H](C[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)NC(=O)OC(C)(C)C ZINC000860093566 1137044157 /nfs/dbraw/zinc/04/41/57/1137044157.db2.gz DREXSVKFEVKFIL-CHWSQXEVSA-N 1 2 339.480 3.878 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@H](c2c(F)cccc2F)C1)n1cc[nH+]c1 ZINC000822012526 1137047043 /nfs/dbraw/zinc/04/70/43/1137047043.db2.gz SVDFOYDGOAKVNW-WMLDXEAASA-N 1 2 347.409 3.765 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000822071964 1137048681 /nfs/dbraw/zinc/04/86/81/1137048681.db2.gz ACIPVYPOXUHAFV-LBPRGKRZSA-N 1 2 347.724 3.677 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(F)c1 ZINC000822476510 1137061432 /nfs/dbraw/zinc/06/14/32/1137061432.db2.gz NUXWUMFBBTYOIJ-UHFFFAOYSA-N 1 2 336.357 3.851 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000822701656 1137071135 /nfs/dbraw/zinc/07/11/35/1137071135.db2.gz DJPGUYLDJJVIOX-SNVBAGLBSA-N 1 2 337.411 3.902 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000860684044 1137072886 /nfs/dbraw/zinc/07/28/86/1137072886.db2.gz PGKVIMCBGWWWEI-SNAWJCMRSA-N 1 2 344.358 3.690 20 0 EHADLO CCO[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000860747586 1137076542 /nfs/dbraw/zinc/07/65/42/1137076542.db2.gz GGZFVFUOPLHJES-GOSISDBHSA-N 1 2 340.423 3.607 20 0 EHADLO O=C1[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CCCN1Cc1ccccc1 ZINC000805805412 1137079223 /nfs/dbraw/zinc/07/92/23/1137079223.db2.gz QXVNUEYBWQSYDU-IBGZPJMESA-N 1 2 340.854 3.847 20 0 EHADLO O=C1[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCCN1Cc1ccccc1 ZINC000805805412 1137079224 /nfs/dbraw/zinc/07/92/24/1137079224.db2.gz QXVNUEYBWQSYDU-IBGZPJMESA-N 1 2 340.854 3.847 20 0 EHADLO CC/C(C)=C\C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000823091423 1137084985 /nfs/dbraw/zinc/08/49/85/1137084985.db2.gz ISEYLCBVFHCWFJ-SQFISAMPSA-N 1 2 337.427 3.618 20 0 EHADLO CCOc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1F ZINC000823157266 1137088252 /nfs/dbraw/zinc/08/82/52/1137088252.db2.gz PAYRTNLCGJYOEM-MRXNPFEDSA-N 1 2 339.370 3.661 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cc(C)cc(C)c2)n1 ZINC000823224514 1137091441 /nfs/dbraw/zinc/09/14/41/1137091441.db2.gz PLTHQNTVWUXDLG-UHFFFAOYSA-N 1 2 331.485 3.783 20 0 EHADLO Cc1cc(OC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)ncn1 ZINC001137662317 1137092244 /nfs/dbraw/zinc/09/22/44/1137092244.db2.gz PWQIBQFGIGRFSE-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC001136701764 1137095095 /nfs/dbraw/zinc/09/50/95/1137095095.db2.gz LPWNROKOFDNWNI-UHFFFAOYSA-N 1 2 331.847 3.885 20 0 EHADLO Fc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137662590 1137096538 /nfs/dbraw/zinc/09/65/38/1137096538.db2.gz YUTSTHYEYGDILS-HNNXBMFYSA-N 1 2 332.797 3.785 20 0 EHADLO O[C@H](c1ccccc1)C1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823395029 1137098010 /nfs/dbraw/zinc/09/80/10/1137098010.db2.gz JCAJYUYSDXSZHX-QGZVFWFLSA-N 1 2 334.822 3.820 20 0 EHADLO C/C(=C\c1ccc(C)cc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394421 1137098073 /nfs/dbraw/zinc/09/80/73/1137098073.db2.gz ZBBSEHFMRSJEAN-VOMSXAGXSA-N 1 2 343.427 3.670 20 0 EHADLO C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823505918 1137101217 /nfs/dbraw/zinc/10/12/17/1137101217.db2.gz JPDZXMMXJQSLFI-HXUWFJFHSA-N 1 2 337.398 3.939 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccsc2C(F)(F)F)C1 ZINC000861347672 1137102389 /nfs/dbraw/zinc/10/23/89/1137102389.db2.gz LBNLTTSZHSEZGZ-SNVBAGLBSA-N 1 2 343.374 3.520 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(CC)cn2)cc1 ZINC000339026669 1137105314 /nfs/dbraw/zinc/10/53/14/1137105314.db2.gz GIVMLUWTGKKVQW-MRXNPFEDSA-N 1 2 339.483 3.645 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(CC)cn2)cc1 ZINC000339026669 1137105316 /nfs/dbraw/zinc/10/53/16/1137105316.db2.gz GIVMLUWTGKKVQW-MRXNPFEDSA-N 1 2 339.483 3.645 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccccc2Oc2cccc(C)c2)n1 ZINC000823818630 1137114394 /nfs/dbraw/zinc/11/43/94/1137114394.db2.gz LLPPMTBZZWNQKZ-UHFFFAOYSA-N 1 2 336.439 3.997 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000339032189 1137125015 /nfs/dbraw/zinc/12/50/15/1137125015.db2.gz FBRBLWVBEMJYJK-ZIAGYGMSSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000339032189 1137125017 /nfs/dbraw/zinc/12/50/17/1137125017.db2.gz FBRBLWVBEMJYJK-ZIAGYGMSSA-N 1 2 336.505 3.639 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC001136828198 1137125862 /nfs/dbraw/zinc/12/58/62/1137125862.db2.gz SIMKXFXVHOEVCN-IEBWSBKVSA-N 1 2 343.446 3.701 20 0 EHADLO Clc1cccc2[nH]c(CN3CC[NH+](Cc4cccnc4)CC3)cc21 ZINC001136856460 1137132278 /nfs/dbraw/zinc/13/22/78/1137132278.db2.gz JQYUBDNNZMIDLS-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)C1 ZINC001136855894 1137132322 /nfs/dbraw/zinc/13/23/22/1137132322.db2.gz ZFWVCLUIQWINLH-LLVKDONJSA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)C1 ZINC001136855894 1137132324 /nfs/dbraw/zinc/13/23/24/1137132324.db2.gz ZFWVCLUIQWINLH-LLVKDONJSA-N 1 2 334.204 3.727 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nc(C)c(C)[nH]4)CC3)c2c1 ZINC000862228235 1137133315 /nfs/dbraw/zinc/13/33/15/1137133315.db2.gz OGTJYDBGUAWYTN-UHFFFAOYSA-N 1 2 336.439 3.806 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc(C)c(C)[nH]4)CC3)c2c1 ZINC000862228235 1137133316 /nfs/dbraw/zinc/13/33/16/1137133316.db2.gz OGTJYDBGUAWYTN-UHFFFAOYSA-N 1 2 336.439 3.806 20 0 EHADLO Cc1nc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)[nH]c1C ZINC000862243370 1137134532 /nfs/dbraw/zinc/13/45/32/1137134532.db2.gz ZKUWERCCDFHNSX-GOSISDBHSA-N 1 2 333.863 3.626 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2Br)[C@H](c2ccco2)C1 ZINC000862249844 1137135433 /nfs/dbraw/zinc/13/54/33/1137135433.db2.gz DUOBKXLNGXARGP-YPMHNXCESA-N 1 2 338.249 3.749 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2Br)[C@H](c2ccco2)C1 ZINC000862249844 1137135434 /nfs/dbraw/zinc/13/54/34/1137135434.db2.gz DUOBKXLNGXARGP-YPMHNXCESA-N 1 2 338.249 3.749 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000862337217 1137138777 /nfs/dbraw/zinc/13/87/77/1137138777.db2.gz RECITSPOGYNGHT-WBMJQRKESA-N 1 2 330.255 3.595 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000862337217 1137138778 /nfs/dbraw/zinc/13/87/78/1137138778.db2.gz RECITSPOGYNGHT-WBMJQRKESA-N 1 2 330.255 3.595 20 0 EHADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cnc(C3CC3)o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000862400497 1137142831 /nfs/dbraw/zinc/14/28/31/1137142831.db2.gz YNYIDGUJPHDCNB-BFHYXJOUSA-N 1 2 349.475 3.770 20 0 EHADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cnc(C3CC3)o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000862400497 1137142832 /nfs/dbraw/zinc/14/28/32/1137142832.db2.gz YNYIDGUJPHDCNB-BFHYXJOUSA-N 1 2 349.475 3.770 20 0 EHADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000824561538 1137142953 /nfs/dbraw/zinc/14/29/53/1137142953.db2.gz YNOIMUIQDDTYDZ-UHFFFAOYSA-N 1 2 344.377 3.593 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(Cl)nc2)sc1Br ZINC000824589915 1137144295 /nfs/dbraw/zinc/14/42/95/1137144295.db2.gz KDTMEOPTYFUOIZ-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO COc1cncc(C[NH+]2CC(Cc3ccccc3Br)C2)c1 ZINC000862538443 1137148986 /nfs/dbraw/zinc/14/89/86/1137148986.db2.gz SEXNFHOHACAWHB-UHFFFAOYSA-N 1 2 347.256 3.527 20 0 EHADLO COC(=O)/C=C\c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)o1 ZINC000862551959 1137149837 /nfs/dbraw/zinc/14/98/37/1137149837.db2.gz VHZPYCYZGMCYEX-HJWRWDBZSA-N 1 2 347.361 3.913 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136930186 1137150184 /nfs/dbraw/zinc/15/01/84/1137150184.db2.gz BBYMAOOWQIUHQP-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cn1 ZINC001136930186 1137150185 /nfs/dbraw/zinc/15/01/85/1137150185.db2.gz BBYMAOOWQIUHQP-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO Clc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)nc1 ZINC001136931663 1137150556 /nfs/dbraw/zinc/15/05/56/1137150556.db2.gz NTAPITSRIAODRX-BETUJISGSA-N 1 2 336.826 3.765 20 0 EHADLO Clc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)nc1 ZINC001136931663 1137150557 /nfs/dbraw/zinc/15/05/57/1137150557.db2.gz NTAPITSRIAODRX-BETUJISGSA-N 1 2 336.826 3.765 20 0 EHADLO Cc1cc(C[NH2+]Cc2nn(C)cc2Cl)cc(C)c1OC(F)F ZINC000824757949 1137152600 /nfs/dbraw/zinc/15/26/00/1137152600.db2.gz BHJYEDDLRRTGKC-UHFFFAOYSA-N 1 2 329.778 3.582 20 0 EHADLO COc1cc2c(cc1OC)C[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136941687 1137154465 /nfs/dbraw/zinc/15/44/65/1137154465.db2.gz BUDXJKOQRWNAFS-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001136989520 1137165738 /nfs/dbraw/zinc/16/57/38/1137165738.db2.gz LUKIKGVRLAXKJI-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001136989520 1137165740 /nfs/dbraw/zinc/16/57/40/1137165740.db2.gz LUKIKGVRLAXKJI-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1C ZINC001137000637 1137168082 /nfs/dbraw/zinc/16/80/82/1137168082.db2.gz ZPZSZXWXTNVMIG-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cc1C ZINC001137000637 1137168083 /nfs/dbraw/zinc/16/80/83/1137168083.db2.gz ZPZSZXWXTNVMIG-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)no1 ZINC001171075933 1137169176 /nfs/dbraw/zinc/16/91/76/1137169176.db2.gz ZVWQWFIMUBKUIF-GFCCVEGCSA-N 1 2 326.227 3.674 20 0 EHADLO Cc1nc(C[N@H+](C)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)no1 ZINC001171075933 1137169177 /nfs/dbraw/zinc/16/91/77/1137169177.db2.gz ZVWQWFIMUBKUIF-GFCCVEGCSA-N 1 2 326.227 3.674 20 0 EHADLO COc1ccc2c(c1)CN(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C2=O ZINC000863257116 1137178249 /nfs/dbraw/zinc/17/82/49/1137178249.db2.gz MORNFRNNRPNAMA-LJQANCHMSA-N 1 2 340.398 3.585 20 0 EHADLO COc1ccc2c(c1)CN(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C2=O ZINC000863257116 1137178250 /nfs/dbraw/zinc/17/82/50/1137178250.db2.gz MORNFRNNRPNAMA-LJQANCHMSA-N 1 2 340.398 3.585 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@@H]1CO ZINC001143698627 1137190397 /nfs/dbraw/zinc/19/03/97/1137190397.db2.gz ILDUIQLLEZSZFF-ZWNOBZJWSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@@H]1CO ZINC001143698627 1137190398 /nfs/dbraw/zinc/19/03/98/1137190398.db2.gz ILDUIQLLEZSZFF-ZWNOBZJWSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143698850 1137190682 /nfs/dbraw/zinc/19/06/82/1137190682.db2.gz MGJPVLZSVVNKHS-IINYFYTJSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143698850 1137190683 /nfs/dbraw/zinc/19/06/83/1137190683.db2.gz MGJPVLZSVVNKHS-IINYFYTJSA-N 1 2 337.769 3.831 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000119536702 1137193242 /nfs/dbraw/zinc/19/32/42/1137193242.db2.gz ONWOBWPDZVIAAN-ZDUSSCGKSA-N 1 2 332.473 3.622 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000119536702 1137193244 /nfs/dbraw/zinc/19/32/44/1137193244.db2.gz ONWOBWPDZVIAAN-ZDUSSCGKSA-N 1 2 332.473 3.622 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615841 1137194740 /nfs/dbraw/zinc/19/47/40/1137194740.db2.gz FBLILGCQULLTLO-DOMZBBRYSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615841 1137194742 /nfs/dbraw/zinc/19/47/42/1137194742.db2.gz FBLILGCQULLTLO-DOMZBBRYSA-N 1 2 349.887 3.638 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863618278 1137195061 /nfs/dbraw/zinc/19/50/61/1137195061.db2.gz OKIRHOPKOZSGCZ-UHFFFAOYSA-N 1 2 329.347 3.603 20 0 EHADLO COc1ccc2cc([C@H](C)C(=O)Nc3cc[nH+]c4c3CCC4)ccc2c1 ZINC001143739847 1137195131 /nfs/dbraw/zinc/19/51/31/1137195131.db2.gz OTXXTXAEALWMLE-AWEZNQCLSA-N 1 2 346.430 3.896 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1Cl ZINC001143745236 1137195704 /nfs/dbraw/zinc/19/57/04/1137195704.db2.gz QMSGHWULGDNKTF-QGZVFWFLSA-N 1 2 341.810 3.549 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1Cl ZINC001143745236 1137195705 /nfs/dbraw/zinc/19/57/05/1137195705.db2.gz QMSGHWULGDNKTF-QGZVFWFLSA-N 1 2 341.810 3.549 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001143764076 1137196408 /nfs/dbraw/zinc/19/64/08/1137196408.db2.gz QYVCGVPMEFOVEZ-DLBZAZTESA-N 1 2 348.418 3.715 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001143764076 1137196409 /nfs/dbraw/zinc/19/64/09/1137196409.db2.gz QYVCGVPMEFOVEZ-DLBZAZTESA-N 1 2 348.418 3.715 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(Cc3ccc(C(C)C)cc3)no2)c1 ZINC000863659359 1137197238 /nfs/dbraw/zinc/19/72/38/1137197238.db2.gz ACAQPAXHFHJTNW-LJQANCHMSA-N 1 2 337.423 3.841 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844131563 1137200042 /nfs/dbraw/zinc/20/00/42/1137200042.db2.gz QWVUIDYZRJTSJM-AZUAARDMSA-N 1 2 337.467 3.883 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844132238 1137200377 /nfs/dbraw/zinc/20/03/77/1137200377.db2.gz CRCFKTGKGARFFA-CYBMUJFWSA-N 1 2 329.469 3.975 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1c(Cl)cc(Cl)cc1Cl)C2 ZINC001143800349 1137200782 /nfs/dbraw/zinc/20/07/82/1137200782.db2.gz FKIYPXXCHZUUSH-UHFFFAOYSA-N 1 2 330.646 3.939 20 0 EHADLO COc1c(F)cc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC001143838953 1137204716 /nfs/dbraw/zinc/20/47/16/1137204716.db2.gz GTAXQMHTEDPZPH-GFCCVEGCSA-N 1 2 339.798 3.559 20 0 EHADLO COc1c(F)cc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC001143838953 1137204719 /nfs/dbraw/zinc/20/47/19/1137204719.db2.gz GTAXQMHTEDPZPH-GFCCVEGCSA-N 1 2 339.798 3.559 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143861006 1137205193 /nfs/dbraw/zinc/20/51/93/1137205193.db2.gz XKVZJTIXQFHIGN-HNNXBMFYSA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143861006 1137205194 /nfs/dbraw/zinc/20/51/94/1137205194.db2.gz XKVZJTIXQFHIGN-HNNXBMFYSA-N 1 2 334.218 3.908 20 0 EHADLO CCn1cc(Cl)cc1C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC001143857411 1137206548 /nfs/dbraw/zinc/20/65/48/1137206548.db2.gz IODIHOHPEJEBRR-UHFFFAOYSA-N 1 2 340.880 3.712 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OC(F)(F)F ZINC001143879142 1137208288 /nfs/dbraw/zinc/20/82/88/1137208288.db2.gz YQKXCECFKCPRKG-UHFFFAOYSA-N 1 2 344.358 3.609 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OC(F)(F)F ZINC001143879142 1137208290 /nfs/dbraw/zinc/20/82/90/1137208290.db2.gz YQKXCECFKCPRKG-UHFFFAOYSA-N 1 2 344.358 3.609 20 0 EHADLO Cc1cc(C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)o1 ZINC000119725908 1137208873 /nfs/dbraw/zinc/20/88/73/1137208873.db2.gz BFXLJBCAPPNCAI-MRXNPFEDSA-N 1 2 326.400 3.828 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794581985 1137213828 /nfs/dbraw/zinc/21/38/28/1137213828.db2.gz KYACXXICLUWEJE-QFBILLFUSA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794581985 1137213830 /nfs/dbraw/zinc/21/38/30/1137213830.db2.gz KYACXXICLUWEJE-QFBILLFUSA-N 1 2 346.858 3.658 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143937661 1137216086 /nfs/dbraw/zinc/21/60/86/1137216086.db2.gz VLULAGYLOITLFN-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143937661 1137216088 /nfs/dbraw/zinc/21/60/88/1137216088.db2.gz VLULAGYLOITLFN-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CC(C)C(=O)N(C)C1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143961497 1137219337 /nfs/dbraw/zinc/21/93/37/1137219337.db2.gz PNKLEHAEAOVKSL-UHFFFAOYSA-N 1 2 344.833 3.697 20 0 EHADLO C[C@@]1(O)CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000794673180 1137225037 /nfs/dbraw/zinc/22/50/37/1137225037.db2.gz RNOGJYMDVFCWOM-MRXNPFEDSA-N 1 2 341.427 3.762 20 0 EHADLO C[C@@]1(O)CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000794673180 1137225038 /nfs/dbraw/zinc/22/50/38/1137225038.db2.gz RNOGJYMDVFCWOM-MRXNPFEDSA-N 1 2 341.427 3.762 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+](C)Cc1cncs1 ZINC001144008544 1137225597 /nfs/dbraw/zinc/22/55/97/1137225597.db2.gz HXJIWAWARJGGTJ-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)Cc1cncs1 ZINC001144008544 1137225598 /nfs/dbraw/zinc/22/55/98/1137225598.db2.gz HXJIWAWARJGGTJ-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO Cc1occc1-c1nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(=S)n1C ZINC000794686811 1137226668 /nfs/dbraw/zinc/22/66/68/1137226668.db2.gz RNXBFJGFYNDQMW-CYBMUJFWSA-N 1 2 334.489 3.988 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(=S)n1C ZINC000794686811 1137226669 /nfs/dbraw/zinc/22/66/69/1137226669.db2.gz RNXBFJGFYNDQMW-CYBMUJFWSA-N 1 2 334.489 3.988 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cn1 ZINC000844473292 1137227363 /nfs/dbraw/zinc/22/73/63/1137227363.db2.gz XWVYFWYBCRLJHA-ULQDDVLXSA-N 1 2 329.831 3.625 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cn1 ZINC000844473292 1137227365 /nfs/dbraw/zinc/22/73/65/1137227365.db2.gz XWVYFWYBCRLJHA-ULQDDVLXSA-N 1 2 329.831 3.625 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844554639 1137234551 /nfs/dbraw/zinc/23/45/51/1137234551.db2.gz QUAUPTWNUQESRA-XHDPSFHLSA-N 1 2 342.317 3.690 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnn(CC2CCCC2)c1 ZINC000864729214 1137243351 /nfs/dbraw/zinc/24/33/51/1137243351.db2.gz WLRGBDJJCPGVJU-UHFFFAOYSA-N 1 2 335.411 3.511 20 0 EHADLO CCc1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc(CC)c1O ZINC001144150305 1137245292 /nfs/dbraw/zinc/24/52/92/1137245292.db2.gz GCIMYEUAVCBNSV-UHFFFAOYSA-N 1 2 337.467 3.743 20 0 EHADLO CCc1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc(CC)c1O ZINC001144150305 1137245294 /nfs/dbraw/zinc/24/52/94/1137245294.db2.gz GCIMYEUAVCBNSV-UHFFFAOYSA-N 1 2 337.467 3.743 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(-c3ccccc3)ccc2=O)CCc2ccccc21 ZINC000844743792 1137249092 /nfs/dbraw/zinc/24/90/92/1137249092.db2.gz ZMVKKJFWLCSWQH-KRWDZBQOSA-N 1 2 345.446 3.530 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)CCc2ccccc21 ZINC000844743792 1137249094 /nfs/dbraw/zinc/24/90/94/1137249094.db2.gz ZMVKKJFWLCSWQH-KRWDZBQOSA-N 1 2 345.446 3.530 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@]3(CC3(F)F)C2)C1 ZINC000844747536 1137249469 /nfs/dbraw/zinc/24/94/69/1137249469.db2.gz LOZDTBOWZFCTQL-WBMJQRKESA-N 1 2 342.455 3.503 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@]3(CC3(F)F)C2)C1 ZINC000844747536 1137249471 /nfs/dbraw/zinc/24/94/71/1137249471.db2.gz LOZDTBOWZFCTQL-WBMJQRKESA-N 1 2 342.455 3.503 20 0 EHADLO Fc1cc(Br)ccc1[C@H]([NH2+]Cc1ccon1)C1CC1 ZINC000794800629 1137252145 /nfs/dbraw/zinc/25/21/45/1137252145.db2.gz FHCKGXTZWCZILT-CQSZACIVSA-N 1 2 325.181 3.817 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000844791913 1137252408 /nfs/dbraw/zinc/25/24/08/1137252408.db2.gz CYYGLSXBCDJXGJ-UHFFFAOYSA-N 1 2 343.475 3.721 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2cc(O)ccc21 ZINC000864987506 1137256727 /nfs/dbraw/zinc/25/67/27/1137256727.db2.gz ZNQFLPNWLIOCFS-GOSISDBHSA-N 1 2 337.423 3.587 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1([C@H]2CCCCO2)CCC1 ZINC000865071496 1137261586 /nfs/dbraw/zinc/26/15/86/1137261586.db2.gz BBYFKIUSQNOWOC-MRXNPFEDSA-N 1 2 325.412 3.755 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140806 1137265041 /nfs/dbraw/zinc/26/50/41/1137265041.db2.gz KHAPSEVVLOIQLQ-SNVBAGLBSA-N 1 2 346.843 3.693 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)csc2s1 ZINC000865140968 1137265056 /nfs/dbraw/zinc/26/50/56/1137265056.db2.gz NATJSRVSOHKEBN-LBPRGKRZSA-N 1 2 345.493 3.943 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(OC(C)C)ccn1)c1ccccc1 ZINC000845122516 1137275020 /nfs/dbraw/zinc/27/50/20/1137275020.db2.gz KZAIKHLBEPOWBK-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(OC(C)C)ccn1)c1ccccc1 ZINC000845122516 1137275021 /nfs/dbraw/zinc/27/50/21/1137275021.db2.gz KZAIKHLBEPOWBK-IBGZPJMESA-N 1 2 342.439 3.605 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccnc1Br ZINC000865417470 1137281760 /nfs/dbraw/zinc/28/17/60/1137281760.db2.gz LUMCZBFLZFCYKF-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cnc([C@@H]([NH2+]Cc2cccnc2Br)C2CC2)s1 ZINC000865475981 1137287161 /nfs/dbraw/zinc/28/71/61/1137287161.db2.gz HZHPVPWIPLIGEF-LBPRGKRZSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1ncc2c(n1)CCC[C@H]2Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865542318 1137293329 /nfs/dbraw/zinc/29/33/29/1137293329.db2.gz QIKYQDKKMAUCDF-GOSISDBHSA-N 1 2 346.438 3.677 20 0 EHADLO Cc1ncc2c(n1)CCC[C@H]2Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865542318 1137293331 /nfs/dbraw/zinc/29/33/31/1137293331.db2.gz QIKYQDKKMAUCDF-GOSISDBHSA-N 1 2 346.438 3.677 20 0 EHADLO COc1ncc(C[NH+]2CCC(Oc3ccccc3C)CC2)cc1F ZINC001144451168 1137295661 /nfs/dbraw/zinc/29/56/61/1137295661.db2.gz OFEVQDDMKDBIST-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1F ZINC001144451149 1137295699 /nfs/dbraw/zinc/29/56/99/1137295699.db2.gz NHBYBDWCPIVAQG-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cc1F ZINC001144451149 1137295700 /nfs/dbraw/zinc/29/57/00/1137295700.db2.gz NHBYBDWCPIVAQG-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845507657 1137295942 /nfs/dbraw/zinc/29/59/42/1137295942.db2.gz CROJPGLMVQNZRA-CYBMUJFWSA-N 1 2 347.484 3.955 20 0 EHADLO Cc1cc(C(F)(F)F)cnc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000865590871 1137297374 /nfs/dbraw/zinc/29/73/74/1137297374.db2.gz UHYLCCMEIXBSAF-UHFFFAOYSA-N 1 2 337.336 3.575 20 0 EHADLO Cc1cc(C(F)(F)F)cnc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000865590871 1137297375 /nfs/dbraw/zinc/29/73/75/1137297375.db2.gz UHYLCCMEIXBSAF-UHFFFAOYSA-N 1 2 337.336 3.575 20 0 EHADLO C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865611289 1137298527 /nfs/dbraw/zinc/29/85/27/1137298527.db2.gz IFTUXFIDTZKMJI-GOEBONIOSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865611289 1137298529 /nfs/dbraw/zinc/29/85/29/1137298529.db2.gz IFTUXFIDTZKMJI-GOEBONIOSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@@H]1CCN(c2nc(Cl)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000865610823 1137298555 /nfs/dbraw/zinc/29/85/55/1137298555.db2.gz ADITYEPXYWLQJM-IUODEOHRSA-N 1 2 327.819 3.567 20 0 EHADLO COC1([C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C2CCCCC2)CCC1 ZINC000845574591 1137298902 /nfs/dbraw/zinc/29/89/02/1137298902.db2.gz MWRCJQPTIABGHB-MAUKXSAKSA-N 1 2 334.460 3.895 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1F ZINC000865616353 1137298982 /nfs/dbraw/zinc/29/89/82/1137298982.db2.gz GGYSLFFZBTVBHA-QFYYESIMSA-N 1 2 343.320 3.778 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1noc3ccc(F)cc13)O[C@H](C)C2 ZINC000865760539 1137309363 /nfs/dbraw/zinc/30/93/63/1137309363.db2.gz KCICDPOZPNYXOI-LLVKDONJSA-N 1 2 342.370 3.589 20 0 EHADLO O=C(/C=C/c1ccsc1C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000865804570 1137312949 /nfs/dbraw/zinc/31/29/49/1137312949.db2.gz BAIOASSPYVUCLG-ONEGZZNKSA-N 1 2 343.374 3.573 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccsc2C(F)(F)F)n1 ZINC000865806133 1137313256 /nfs/dbraw/zinc/31/32/56/1137313256.db2.gz GSTZWBLLSXWTGY-UHFFFAOYSA-N 1 2 325.306 3.728 20 0 EHADLO Cc1cc(C[NH2+]Cc2nn(C)cc2C(F)F)c(OC(F)F)cc1C ZINC000865808681 1137313420 /nfs/dbraw/zinc/31/34/20/1137313420.db2.gz ALSJDAYXDYYDHV-UHFFFAOYSA-N 1 2 345.340 3.866 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3cnccc3o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000845951999 1137320063 /nfs/dbraw/zinc/32/00/63/1137320063.db2.gz KIWQPLOIKUYBFA-KBPBESRZSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3cnccc3o2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000845951999 1137320065 /nfs/dbraw/zinc/32/00/65/1137320065.db2.gz KIWQPLOIKUYBFA-KBPBESRZSA-N 1 2 345.443 3.658 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(OCc3ccccc3)CC2)cc1F ZINC001144665430 1137324746 /nfs/dbraw/zinc/32/47/46/1137324746.db2.gz AWBCPEGYAAMWAE-UHFFFAOYSA-N 1 2 333.378 3.852 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2cccc(Oc3ccccc3F)c2)n1 ZINC000845997829 1137327377 /nfs/dbraw/zinc/32/73/77/1137327377.db2.gz RGJQBSRJFNNBQU-UHFFFAOYSA-N 1 2 340.402 3.828 20 0 EHADLO COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)CCCn1cc[nH+]c1 ZINC000120927074 1137332658 /nfs/dbraw/zinc/33/26/58/1137332658.db2.gz FLDIKDZFRRQOHI-IEBWSBKVSA-N 1 2 342.439 3.627 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000866200751 1137335097 /nfs/dbraw/zinc/33/50/97/1137335097.db2.gz ZNPADKLRNVGPMO-QZTJIDSGSA-N 1 2 343.515 3.829 20 0 EHADLO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1nnc(C(C)C)s1 ZINC000866280464 1137342380 /nfs/dbraw/zinc/34/23/80/1137342380.db2.gz AAFMTFFJGNFOLV-ZDUSSCGKSA-N 1 2 333.457 3.674 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)[nH]1 ZINC000866365628 1137349598 /nfs/dbraw/zinc/34/95/98/1137349598.db2.gz ZDZRNFAKQJKZOY-SFHVURJKSA-N 1 2 335.455 3.787 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001144833269 1137352698 /nfs/dbraw/zinc/35/26/98/1137352698.db2.gz NPSZWHNAMRHJAX-OXQOHEQNSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001144833269 1137352700 /nfs/dbraw/zinc/35/27/00/1137352700.db2.gz NPSZWHNAMRHJAX-OXQOHEQNSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc2[nH]c(=O)oc2c1 ZINC000866484968 1137358525 /nfs/dbraw/zinc/35/85/25/1137358525.db2.gz BWMCJZGRTMLTFA-MNRXQERYSA-N 1 2 328.343 3.656 20 0 EHADLO CCc1noc(C)c1[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000866497822 1137358900 /nfs/dbraw/zinc/35/89/00/1137358900.db2.gz LZTMCVDYFDEEAI-CRAIPNDOSA-N 1 2 327.472 3.779 20 0 EHADLO CCc1noc(C)c1[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000866497822 1137358902 /nfs/dbraw/zinc/35/89/02/1137358902.db2.gz LZTMCVDYFDEEAI-CRAIPNDOSA-N 1 2 327.472 3.779 20 0 EHADLO CCCCCCO[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846653932 1137360474 /nfs/dbraw/zinc/36/04/74/1137360474.db2.gz HPCOCEARGSBWRB-KZNAEPCWSA-N 1 2 347.503 3.906 20 0 EHADLO O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846655022 1137360628 /nfs/dbraw/zinc/36/06/28/1137360628.db2.gz OEIOKZJGEAMSRC-RBSFLKMASA-N 1 2 337.414 3.746 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1OC(F)F ZINC000866565019 1137365343 /nfs/dbraw/zinc/36/53/43/1137365343.db2.gz AIZHJWNOANUEHA-MRVPVSSYSA-N 1 2 349.303 3.949 20 0 EHADLO O[C@H]1CCCOc2cc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)ccc21 ZINC000846782505 1137365362 /nfs/dbraw/zinc/36/53/62/1137365362.db2.gz OPUBWSDAFZBDFM-IBGZPJMESA-N 1 2 338.382 3.944 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cscn1)c1cccc(Br)c1 ZINC000866596760 1137367812 /nfs/dbraw/zinc/36/78/12/1137367812.db2.gz JIUUJTLOXFJLCC-ZWNOBZJWSA-N 1 2 341.274 3.944 20 0 EHADLO C[N@H+](CCn1cccn1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846805216 1137368201 /nfs/dbraw/zinc/36/82/01/1137368201.db2.gz VTKOJGGMYBRTQD-UHFFFAOYSA-N 1 2 335.238 3.870 20 0 EHADLO C[N@@H+](CCn1cccn1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846805216 1137368202 /nfs/dbraw/zinc/36/82/02/1137368202.db2.gz VTKOJGGMYBRTQD-UHFFFAOYSA-N 1 2 335.238 3.870 20 0 EHADLO Cc1nc2cccc(Cl)c2cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866745215 1137375907 /nfs/dbraw/zinc/37/59/07/1137375907.db2.gz UWVZPSVCDBIJOE-UHFFFAOYSA-N 1 2 342.830 3.555 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000867904860 1137389070 /nfs/dbraw/zinc/38/90/70/1137389070.db2.gz HKLDCTFJOZQCDE-HXUWFJFHSA-N 1 2 346.430 3.847 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000016842352 1137389609 /nfs/dbraw/zinc/38/96/09/1137389609.db2.gz HIYWEPRVZHKSOD-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000016842352 1137389611 /nfs/dbraw/zinc/38/96/11/1137389611.db2.gz HIYWEPRVZHKSOD-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001146662780 1137392405 /nfs/dbraw/zinc/39/24/05/1137392405.db2.gz SLWHGUAILPKIBD-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO CC[N@H+](CC(=O)N1CCS[C@@H](C)[C@H]1C)Cc1ccccc1Cl ZINC001146701279 1137392962 /nfs/dbraw/zinc/39/29/62/1137392962.db2.gz YYMZSQPKPXQMDL-KGLIPLIRSA-N 1 2 340.920 3.514 20 0 EHADLO CC[N@@H+](CC(=O)N1CCS[C@@H](C)[C@H]1C)Cc1ccccc1Cl ZINC001146701279 1137392964 /nfs/dbraw/zinc/39/29/64/1137392964.db2.gz YYMZSQPKPXQMDL-KGLIPLIRSA-N 1 2 340.920 3.514 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)OC(C)(C)C ZINC001171336563 1137432024 /nfs/dbraw/zinc/43/20/24/1137432024.db2.gz IGZXYAHOGBLOAE-RHSMWYFYSA-N 1 2 339.426 3.778 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cnc1Cl ZINC001148842959 1137435977 /nfs/dbraw/zinc/43/59/77/1137435977.db2.gz MLXBMNGAULIPEX-OAHLLOKOSA-N 1 2 340.814 3.927 20 0 EHADLO Cc1noc([C@H](C)[NH2+]CCOC(c2ccccc2)c2ccccc2)n1 ZINC000348096960 1137439982 /nfs/dbraw/zinc/43/99/82/1137439982.db2.gz NUBJEXAAAMFKDC-HNNXBMFYSA-N 1 2 337.423 3.835 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000348115714 1137442292 /nfs/dbraw/zinc/44/22/92/1137442292.db2.gz ZKRQVFOAFRPGEG-CYBMUJFWSA-N 1 2 333.407 3.654 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)n1 ZINC000348118426 1137442428 /nfs/dbraw/zinc/44/24/28/1137442428.db2.gz YQBFMRIEODOPEW-KSSFIOAISA-N 1 2 343.496 3.678 20 0 EHADLO COCC[C@H]1CCC[C@H]1[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282786332 1137451345 /nfs/dbraw/zinc/45/13/45/1137451345.db2.gz PWIXDWSXEMEQLY-AXVVYFOYSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccoc3)n2)C1 ZINC000339101775 1137489028 /nfs/dbraw/zinc/48/90/28/1137489028.db2.gz PGYFXOOUXPZFGP-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccoc3)n2)C1 ZINC000339101775 1137489029 /nfs/dbraw/zinc/48/90/29/1137489029.db2.gz PGYFXOOUXPZFGP-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCc1cccc2ncoc21 ZINC001171455592 1137490181 /nfs/dbraw/zinc/49/01/81/1137490181.db2.gz BTJRPQFBJLMWOH-UHFFFAOYSA-N 1 2 339.395 3.719 20 0 EHADLO Cc1cc(NC(C)(C)CC(=O)N2CCCC2)[nH+]cc1C(F)(F)F ZINC001171488102 1137491246 /nfs/dbraw/zinc/49/12/46/1137491246.db2.gz KPVBTIXTFXSJMF-UHFFFAOYSA-N 1 2 329.366 3.612 20 0 EHADLO CCCCC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC ZINC001171530712 1137493706 /nfs/dbraw/zinc/49/37/06/1137493706.db2.gz UUPWZLPMAMVASX-WFASDCNBSA-N 1 2 343.389 3.673 20 0 EHADLO COc1ccc(Cl)c(N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC001171718151 1137505647 /nfs/dbraw/zinc/50/56/47/1137505647.db2.gz AOBVZDZUFMYXTQ-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CC[C@@H]1C[C@H]([N@@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171824498 1137511887 /nfs/dbraw/zinc/51/18/87/1137511887.db2.gz VYQNAXCCWSZXJK-ZSHCYNCHSA-N 1 2 338.492 3.608 20 0 EHADLO CC[C@@H]1C[C@H]([N@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171824498 1137511889 /nfs/dbraw/zinc/51/18/89/1137511889.db2.gz VYQNAXCCWSZXJK-ZSHCYNCHSA-N 1 2 338.492 3.608 20 0 EHADLO CCC(CC)C(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000170503213 1137536110 /nfs/dbraw/zinc/53/61/10/1137536110.db2.gz IGPNXXJPKQFXPL-UHFFFAOYSA-N 1 2 325.456 3.628 20 0 EHADLO CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229845 1137542552 /nfs/dbraw/zinc/54/25/52/1137542552.db2.gz RDXTUWIGMBEUOX-YCXXCVGLSA-N 1 2 349.858 3.512 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000871461877 1137542562 /nfs/dbraw/zinc/54/25/62/1137542562.db2.gz BCBXVMIUNGFCCJ-MRXNPFEDSA-N 1 2 346.427 3.566 20 0 EHADLO CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229845 1137542554 /nfs/dbraw/zinc/54/25/54/1137542554.db2.gz RDXTUWIGMBEUOX-YCXXCVGLSA-N 1 2 349.858 3.512 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000871461877 1137542564 /nfs/dbraw/zinc/54/25/64/1137542564.db2.gz BCBXVMIUNGFCCJ-MRXNPFEDSA-N 1 2 346.427 3.566 20 0 EHADLO FC(F)(F)c1c[nH]c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001212650188 1137546392 /nfs/dbraw/zinc/54/63/92/1137546392.db2.gz UIEACNLYXRFMNN-UHFFFAOYSA-N 1 2 345.284 3.936 20 0 EHADLO CC(C)[C@@H](C)[NH2+]c1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000871852243 1137560599 /nfs/dbraw/zinc/56/05/99/1137560599.db2.gz WTEBAFZSYLAWHP-OLZOCXBDSA-N 1 2 341.293 3.724 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CNc1cccc2c1OCCCO2 ZINC000871864602 1137561313 /nfs/dbraw/zinc/56/13/13/1137561313.db2.gz GIVGFZFEPIGFNN-UHFFFAOYSA-N 1 2 335.407 3.705 20 0 EHADLO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc(O)ccc1F ZINC000872080293 1137570216 /nfs/dbraw/zinc/57/02/16/1137570216.db2.gz VFUBDOBEOOKYNO-AUYAEMIRSA-N 1 2 337.416 3.517 20 0 EHADLO CCC[C@H](OC)c1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182455 1137575550 /nfs/dbraw/zinc/57/55/50/1137575550.db2.gz MTPNGEBMILZTMA-NWDGAFQWSA-N 1 2 329.322 3.624 20 0 EHADLO COC[C@]1(c2nc(C(C)(C)c3ccc(Cl)cc3)no2)CCCC[NH2+]1 ZINC000872182378 1137575608 /nfs/dbraw/zinc/57/56/08/1137575608.db2.gz KNHOWPMTAKMSNX-SFHVURJKSA-N 1 2 349.862 3.664 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000872701333 1137582920 /nfs/dbraw/zinc/58/29/20/1137582920.db2.gz UUIANWRPSFWQNA-GFCCVEGCSA-N 1 2 334.407 3.788 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000872701333 1137582921 /nfs/dbraw/zinc/58/29/21/1137582921.db2.gz UUIANWRPSFWQNA-GFCCVEGCSA-N 1 2 334.407 3.788 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000873007831 1137587821 /nfs/dbraw/zinc/58/78/21/1137587821.db2.gz GWNGSHCYXDWCEW-UHFFFAOYSA-N 1 2 349.402 3.540 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000873015414 1137588165 /nfs/dbraw/zinc/58/81/65/1137588165.db2.gz KYUWZBWPIPEBOO-UHFFFAOYSA-N 1 2 349.402 3.540 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cccnc1OCC(F)F ZINC000873097390 1137590234 /nfs/dbraw/zinc/59/02/34/1137590234.db2.gz POFGXLWHBPYUDP-UHFFFAOYSA-N 1 2 340.345 3.553 20 0 EHADLO COc1cc(C)c(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1OC ZINC000873175152 1137592359 /nfs/dbraw/zinc/59/23/59/1137592359.db2.gz QHYSGUMATCMJNF-UHFFFAOYSA-N 1 2 344.455 3.805 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(N2CCCC2)o1 ZINC001137069565 1137595360 /nfs/dbraw/zinc/59/53/60/1137595360.db2.gz CQJYUJPYFNJPBY-UHFFFAOYSA-N 1 2 326.440 3.973 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(N2CCCC2)o1 ZINC001137069565 1137595361 /nfs/dbraw/zinc/59/53/61/1137595361.db2.gz CQJYUJPYFNJPBY-UHFFFAOYSA-N 1 2 326.440 3.973 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc(C(F)(F)F)c1 ZINC001137865831 1137607870 /nfs/dbraw/zinc/60/78/70/1137607870.db2.gz KFJRIEIAXSKXKX-CYBMUJFWSA-N 1 2 339.279 3.845 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc(C(F)(F)F)c1 ZINC001137865831 1137607871 /nfs/dbraw/zinc/60/78/71/1137607871.db2.gz KFJRIEIAXSKXKX-CYBMUJFWSA-N 1 2 339.279 3.845 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2sccc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000873900458 1137608013 /nfs/dbraw/zinc/60/80/13/1137608013.db2.gz ZDKYIOKPAURMNZ-CQSZACIVSA-N 1 2 336.407 3.815 20 0 EHADLO C[N@H+]1CCN(C(=O)c2sccc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000873900458 1137608014 /nfs/dbraw/zinc/60/80/14/1137608014.db2.gz ZDKYIOKPAURMNZ-CQSZACIVSA-N 1 2 336.407 3.815 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000874256330 1137612176 /nfs/dbraw/zinc/61/21/76/1137612176.db2.gz GJLONODEZRFMDD-FQEVSTJZSA-N 1 2 341.430 3.554 20 0 EHADLO CC[C@](C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000874443275 1137614245 /nfs/dbraw/zinc/61/42/45/1137614245.db2.gz FFHARGHYSMIRDF-HOCLYGCPSA-N 1 2 339.361 3.818 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC000874606158 1137619052 /nfs/dbraw/zinc/61/90/52/1137619052.db2.gz WTWWJXJUKRYCKV-QGZVFWFLSA-N 1 2 345.874 3.801 20 0 EHADLO Cc1csc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1Cl ZINC000874891703 1137625703 /nfs/dbraw/zinc/62/57/03/1137625703.db2.gz RWUVAOUDMXIYJA-ZDUSSCGKSA-N 1 2 338.835 3.636 20 0 EHADLO Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1-c1ccsc1 ZINC000874909138 1137625912 /nfs/dbraw/zinc/62/59/12/1137625912.db2.gz ZHDKBIGIWXWRFZ-NSCUHMNNSA-N 1 2 342.464 3.550 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC3(Cl)Cl)n2)C1 ZINC000125803200 1137646119 /nfs/dbraw/zinc/64/61/19/1137646119.db2.gz LZYBYWOUJWGPFI-KOLCDFICSA-N 1 2 348.299 3.507 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC3(Cl)Cl)n2)C1 ZINC000125803200 1137646120 /nfs/dbraw/zinc/64/61/20/1137646120.db2.gz LZYBYWOUJWGPFI-KOLCDFICSA-N 1 2 348.299 3.507 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(F)cc(F)c2F)cc(OC)c1 ZINC001137872049 1137649171 /nfs/dbraw/zinc/64/91/71/1137649171.db2.gz AFYWZSQFCQPIEM-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2F)cc(OC)c1 ZINC001137872049 1137649172 /nfs/dbraw/zinc/64/91/72/1137649172.db2.gz AFYWZSQFCQPIEM-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO Fc1cc(F)c(F)c(CN2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001137872075 1137649877 /nfs/dbraw/zinc/64/98/77/1137649877.db2.gz BGTZHZDBFPJHSA-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO C[N@H+](Cc1cccc(F)c1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876532318 1137654624 /nfs/dbraw/zinc/65/46/24/1137654624.db2.gz DRXADCGDDODUSL-UHFFFAOYSA-N 1 2 346.406 3.595 20 0 EHADLO C[N@@H+](Cc1cccc(F)c1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876532318 1137654625 /nfs/dbraw/zinc/65/46/25/1137654625.db2.gz DRXADCGDDODUSL-UHFFFAOYSA-N 1 2 346.406 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(NC(=O)C3CC3)cc2)c1C ZINC000876820955 1137662728 /nfs/dbraw/zinc/66/27/28/1137662728.db2.gz XMDPWYGOFGSZQH-UHFFFAOYSA-N 1 2 325.412 3.668 20 0 EHADLO COCCCOc1ccccc1NCc1[nH+]cc(C)c(OC)c1C ZINC000876850356 1137663564 /nfs/dbraw/zinc/66/35/64/1137663564.db2.gz PMTUTGWWNKSBRO-UHFFFAOYSA-N 1 2 330.428 3.734 20 0 EHADLO Clc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1 ZINC000877479530 1137677671 /nfs/dbraw/zinc/67/76/71/1137677671.db2.gz DQVJHUZRVVGCOI-UHFFFAOYSA-N 1 2 339.830 3.942 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cc(NC(=O)N(C)C)ccc2C)c1C ZINC000877495986 1137678500 /nfs/dbraw/zinc/67/85/00/1137678500.db2.gz JUOPWYWVEXJCSA-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000877548703 1137680878 /nfs/dbraw/zinc/68/08/78/1137680878.db2.gz RRVMKWILHLXYRH-OAHLLOKOSA-N 1 2 348.443 3.560 20 0 EHADLO C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000877548703 1137680879 /nfs/dbraw/zinc/68/08/79/1137680879.db2.gz RRVMKWILHLXYRH-OAHLLOKOSA-N 1 2 348.443 3.560 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(Cl)nn1 ZINC000877574450 1137681777 /nfs/dbraw/zinc/68/17/77/1137681777.db2.gz KDWCIXUQHXAGAQ-UHFFFAOYSA-N 1 2 344.217 3.571 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(Cl)nn1 ZINC000877574450 1137681778 /nfs/dbraw/zinc/68/17/78/1137681778.db2.gz KDWCIXUQHXAGAQ-UHFFFAOYSA-N 1 2 344.217 3.571 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH+]1CC2(C1)CCOCC2 ZINC000877581050 1137681899 /nfs/dbraw/zinc/68/18/99/1137681899.db2.gz LXWZQGJVTVHPFH-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO OC[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1cccc(C(F)(F)F)c1 ZINC000877664912 1137684964 /nfs/dbraw/zinc/68/49/64/1137684964.db2.gz XWNVJHBSDWNHHU-LBPRGKRZSA-N 1 2 348.727 3.716 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877823056 1137691875 /nfs/dbraw/zinc/69/18/75/1137691875.db2.gz JQPKWOWPAMUVIQ-DOMZBBRYSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877823056 1137691876 /nfs/dbraw/zinc/69/18/76/1137691876.db2.gz JQPKWOWPAMUVIQ-DOMZBBRYSA-N 1 2 339.361 3.618 20 0 EHADLO CC1(C)[NH2+][C@]2(CCOC3(CCCC3)C2)N(CC2CCCCC2)C1=O ZINC000877856313 1137693534 /nfs/dbraw/zinc/69/35/34/1137693534.db2.gz APBFMFJDSCIQJM-HXUWFJFHSA-N 1 2 334.504 3.597 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)n1 ZINC000877910029 1137695267 /nfs/dbraw/zinc/69/52/67/1137695267.db2.gz RBHPCVONJCZHEF-CQSZACIVSA-N 1 2 326.396 3.620 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)n1 ZINC000877910029 1137695268 /nfs/dbraw/zinc/69/52/68/1137695268.db2.gz RBHPCVONJCZHEF-CQSZACIVSA-N 1 2 326.396 3.620 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000877949497 1137696776 /nfs/dbraw/zinc/69/67/76/1137696776.db2.gz HXWYXZDWRWJPBR-LPHOPBHVSA-N 1 2 349.434 3.688 20 0 EHADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000877949497 1137696777 /nfs/dbraw/zinc/69/67/77/1137696777.db2.gz HXWYXZDWRWJPBR-LPHOPBHVSA-N 1 2 349.434 3.688 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1F ZINC000878174490 1137705851 /nfs/dbraw/zinc/70/58/51/1137705851.db2.gz PYEMCFADCRUZDF-CZUORRHYSA-N 1 2 333.428 3.658 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1F ZINC000878174490 1137705852 /nfs/dbraw/zinc/70/58/52/1137705852.db2.gz PYEMCFADCRUZDF-CZUORRHYSA-N 1 2 333.428 3.658 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878189844 1137706444 /nfs/dbraw/zinc/70/64/44/1137706444.db2.gz BZFMFWOQDVFNAI-LLVKDONJSA-N 1 2 330.881 3.740 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000878189844 1137706445 /nfs/dbraw/zinc/70/64/45/1137706445.db2.gz BZFMFWOQDVFNAI-LLVKDONJSA-N 1 2 330.881 3.740 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878189845 1137706540 /nfs/dbraw/zinc/70/65/40/1137706540.db2.gz BZFMFWOQDVFNAI-NSHDSACASA-N 1 2 330.881 3.740 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000878189845 1137706541 /nfs/dbraw/zinc/70/65/41/1137706541.db2.gz BZFMFWOQDVFNAI-NSHDSACASA-N 1 2 330.881 3.740 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878284325 1137709710 /nfs/dbraw/zinc/70/97/10/1137709710.db2.gz FRFJORMCSUBBNA-HNNXBMFYSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878284325 1137709711 /nfs/dbraw/zinc/70/97/11/1137709711.db2.gz FRFJORMCSUBBNA-HNNXBMFYSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391833 1137714064 /nfs/dbraw/zinc/71/40/64/1137714064.db2.gz JETWSMXOMJBBJP-GHMZBOCLSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391833 1137714065 /nfs/dbraw/zinc/71/40/65/1137714065.db2.gz JETWSMXOMJBBJP-GHMZBOCLSA-N 1 2 344.406 3.706 20 0 EHADLO CC[C@@]1([NH2+]Cc2noc(-c3cccc(Cl)c3Cl)n2)CCOC1 ZINC000878502543 1137718122 /nfs/dbraw/zinc/71/81/22/1137718122.db2.gz DAIBFGYZXCPMQS-OAHLLOKOSA-N 1 2 342.226 3.702 20 0 EHADLO O[C@@H](C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601156 1137721756 /nfs/dbraw/zinc/72/17/56/1137721756.db2.gz HJPROTCTTSFEGY-HOTGVXAUSA-N 1 2 340.254 3.977 20 0 EHADLO O[C@@H](C[N@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601156 1137721757 /nfs/dbraw/zinc/72/17/57/1137721757.db2.gz HJPROTCTTSFEGY-HOTGVXAUSA-N 1 2 340.254 3.977 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615283 1137722465 /nfs/dbraw/zinc/72/24/65/1137722465.db2.gz WQQRPKGJAWSSON-ZIAGYGMSSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000878615283 1137722466 /nfs/dbraw/zinc/72/24/66/1137722466.db2.gz WQQRPKGJAWSSON-ZIAGYGMSSA-N 1 2 342.226 3.555 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000878636605 1137723249 /nfs/dbraw/zinc/72/32/49/1137723249.db2.gz BKGCBBLDOLPEAG-GHJWDPDVSA-N 1 2 342.817 3.953 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000878636605 1137723250 /nfs/dbraw/zinc/72/32/50/1137723250.db2.gz BKGCBBLDOLPEAG-GHJWDPDVSA-N 1 2 342.817 3.953 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679300 1137724811 /nfs/dbraw/zinc/72/48/11/1137724811.db2.gz YRXIEOBBRXQCFK-UKRRQHHQSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679300 1137724812 /nfs/dbraw/zinc/72/48/12/1137724812.db2.gz YRXIEOBBRXQCFK-UKRRQHHQSA-N 1 2 338.879 3.722 20 0 EHADLO FC(F)Cn1ccnc1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000878799745 1137728595 /nfs/dbraw/zinc/72/85/95/1137728595.db2.gz OVDRLRHNJDHMAC-UHFFFAOYSA-N 1 2 325.790 3.971 20 0 EHADLO CN(C)c1cc(CSCc2nc(-c3ccccc3)no2)cc[nH+]1 ZINC000127380209 1137730489 /nfs/dbraw/zinc/73/04/89/1137730489.db2.gz VYNRWWAFBDFQIL-UHFFFAOYSA-N 1 2 326.425 3.631 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977789 1137734114 /nfs/dbraw/zinc/73/41/14/1137734114.db2.gz LWMRZSZDEDTDKI-GJZGRUSLSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977789 1137734115 /nfs/dbraw/zinc/73/41/15/1137734115.db2.gz LWMRZSZDEDTDKI-GJZGRUSLSA-N 1 2 338.238 3.654 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000879452617 1137748161 /nfs/dbraw/zinc/74/81/61/1137748161.db2.gz SRXIQZGYEJGZFW-SFHVURJKSA-N 1 2 333.382 3.822 20 0 EHADLO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000879452617 1137748162 /nfs/dbraw/zinc/74/81/62/1137748162.db2.gz SRXIQZGYEJGZFW-SFHVURJKSA-N 1 2 333.382 3.822 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000879628130 1137752770 /nfs/dbraw/zinc/75/27/70/1137752770.db2.gz GMQGZDHTLCXUNL-UHFFFAOYSA-N 1 2 348.231 3.710 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999952 1137764220 /nfs/dbraw/zinc/76/42/20/1137764220.db2.gz JARLISCWUXQWCB-ABAIWWIYSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999952 1137764221 /nfs/dbraw/zinc/76/42/21/1137764221.db2.gz JARLISCWUXQWCB-ABAIWWIYSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000880065196 1137767145 /nfs/dbraw/zinc/76/71/45/1137767145.db2.gz RNNULEOUQWCGLC-KOLCDFICSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000880065196 1137767146 /nfs/dbraw/zinc/76/71/46/1137767146.db2.gz RNNULEOUQWCGLC-KOLCDFICSA-N 1 2 342.283 3.642 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)c1nccnc1C ZINC000880104000 1137768345 /nfs/dbraw/zinc/76/83/45/1137768345.db2.gz HUTGAWRPVZCXAP-CQSZACIVSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c(C)c1 ZINC000880190469 1137770475 /nfs/dbraw/zinc/77/04/75/1137770475.db2.gz UWOSGINWRBALGO-PMACEKPBSA-N 1 2 349.478 3.513 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c(C)c1 ZINC000880190469 1137770476 /nfs/dbraw/zinc/77/04/76/1137770476.db2.gz UWOSGINWRBALGO-PMACEKPBSA-N 1 2 349.478 3.513 20 0 EHADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276417 1137772870 /nfs/dbraw/zinc/77/28/70/1137772870.db2.gz HKOCTDYZNJIWOO-XJKSGUPXSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276417 1137772871 /nfs/dbraw/zinc/77/28/71/1137772871.db2.gz HKOCTDYZNJIWOO-XJKSGUPXSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1cccc2c(C[N@@H+]3CCc4c([nH]nc4C(F)(F)F)C3)[nH]nc21 ZINC001137150863 1137773083 /nfs/dbraw/zinc/77/30/83/1137773083.db2.gz ZRYWQPFAMHBPSA-HNNXBMFYSA-N 1 2 335.333 3.728 20 0 EHADLO Cc1cccc2c(C[N@H+]3CCc4c([nH]nc4C(F)(F)F)C3)[nH]nc21 ZINC001137150863 1137773084 /nfs/dbraw/zinc/77/30/84/1137773084.db2.gz ZRYWQPFAMHBPSA-HNNXBMFYSA-N 1 2 335.333 3.728 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000880293739 1137773731 /nfs/dbraw/zinc/77/37/31/1137773731.db2.gz CJYJQIAVMHLZDI-QMMMGPOBSA-N 1 2 339.625 3.877 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000880293739 1137773732 /nfs/dbraw/zinc/77/37/32/1137773732.db2.gz CJYJQIAVMHLZDI-QMMMGPOBSA-N 1 2 339.625 3.877 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000880378012 1137777077 /nfs/dbraw/zinc/77/70/77/1137777077.db2.gz LSLGFZJDPVTPHV-CYBMUJFWSA-N 1 2 344.484 3.618 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000880378012 1137777078 /nfs/dbraw/zinc/77/70/78/1137777078.db2.gz LSLGFZJDPVTPHV-CYBMUJFWSA-N 1 2 344.484 3.618 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)n1 ZINC000880387431 1137777415 /nfs/dbraw/zinc/77/74/15/1137777415.db2.gz JYMZAOODLRGURF-HOCLYGCPSA-N 1 2 347.484 3.847 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCCSC[C@H]2c2ccccc2)n1 ZINC000880387431 1137777416 /nfs/dbraw/zinc/77/74/16/1137777416.db2.gz JYMZAOODLRGURF-HOCLYGCPSA-N 1 2 347.484 3.847 20 0 EHADLO Cc1csc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001137155989 1137780355 /nfs/dbraw/zinc/78/03/55/1137780355.db2.gz OZNARARWEZNNPD-UHFFFAOYSA-N 1 2 341.436 3.577 20 0 EHADLO Cc1csc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001137155989 1137780356 /nfs/dbraw/zinc/78/03/56/1137780356.db2.gz OZNARARWEZNNPD-UHFFFAOYSA-N 1 2 341.436 3.577 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539949 1137780919 /nfs/dbraw/zinc/78/09/19/1137780919.db2.gz MUYLLZMBSDHUFD-KXBFYZLASA-N 1 2 336.435 3.876 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539949 1137780920 /nfs/dbraw/zinc/78/09/20/1137780920.db2.gz MUYLLZMBSDHUFD-KXBFYZLASA-N 1 2 336.435 3.876 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]3c3ccccc34)cs2)n1 ZINC000880538718 1137780933 /nfs/dbraw/zinc/78/09/33/1137780933.db2.gz QUAQBQVJCZQSAX-UGSOOPFHSA-N 1 2 336.464 3.978 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]3c3ccccc34)cs2)n1 ZINC000880538718 1137780934 /nfs/dbraw/zinc/78/09/34/1137780934.db2.gz QUAQBQVJCZQSAX-UGSOOPFHSA-N 1 2 336.464 3.978 20 0 EHADLO Brc1ccc2c(c1)[C@H]([N@@H+]1CCc3ncncc3C1)CCC2 ZINC000880596930 1137782068 /nfs/dbraw/zinc/78/20/68/1137782068.db2.gz GLQXPDNSPQAVAQ-QGZVFWFLSA-N 1 2 344.256 3.675 20 0 EHADLO Brc1ccc2c(c1)[C@H]([N@H+]1CCc3ncncc3C1)CCC2 ZINC000880596930 1137782069 /nfs/dbraw/zinc/78/20/69/1137782069.db2.gz GLQXPDNSPQAVAQ-QGZVFWFLSA-N 1 2 344.256 3.675 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626134227 1137791087 /nfs/dbraw/zinc/79/10/87/1137791087.db2.gz CPGLNILDYUFWSZ-KXBFYZLASA-N 1 2 342.487 3.521 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626134227 1137791088 /nfs/dbraw/zinc/79/10/88/1137791088.db2.gz CPGLNILDYUFWSZ-KXBFYZLASA-N 1 2 342.487 3.521 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000881068955 1137799651 /nfs/dbraw/zinc/79/96/51/1137799651.db2.gz DOCPNANOWKQWRX-UHFFFAOYSA-N 1 2 340.427 3.572 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168114 1137811813 /nfs/dbraw/zinc/81/18/13/1137811813.db2.gz QQEVPOOLIFRRMF-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168114 1137811814 /nfs/dbraw/zinc/81/18/14/1137811814.db2.gz QQEVPOOLIFRRMF-JSGCOSHPSA-N 1 2 339.867 3.613 20 0 EHADLO COc1cccc([C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2(C)C)c1 ZINC000881654839 1137812553 /nfs/dbraw/zinc/81/25/53/1137812553.db2.gz DEPKEFSNRBABBM-QGZVFWFLSA-N 1 2 349.434 3.751 20 0 EHADLO COc1cccc([C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2(C)C)c1 ZINC000881658035 1137812863 /nfs/dbraw/zinc/81/28/63/1137812863.db2.gz SOTQURNFDYIGCU-QAPCUYQASA-N 1 2 341.455 3.638 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904009 1137819979 /nfs/dbraw/zinc/81/99/79/1137819979.db2.gz GUSRXAYAGVIGQP-NCXUSEDFSA-N 1 2 337.467 3.756 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000882059154 1137820034 /nfs/dbraw/zinc/82/00/34/1137820034.db2.gz UMKCQMLIGFYJLE-UHFFFAOYSA-N 1 2 329.391 3.601 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000882059154 1137820035 /nfs/dbraw/zinc/82/00/35/1137820035.db2.gz UMKCQMLIGFYJLE-UHFFFAOYSA-N 1 2 329.391 3.601 20 0 EHADLO Cc1cc(CNc2cc(CO)cc[nH+]2)cc(NC(=O)OC(C)(C)C)c1 ZINC000882426824 1137826807 /nfs/dbraw/zinc/82/68/07/1137826807.db2.gz QNQCJDCDNPJEFX-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO COc1cc(C)[nH+]c(CNc2ccc(OC)c(Br)c2)c1 ZINC000214064625 1137843243 /nfs/dbraw/zinc/84/32/43/1137843243.db2.gz GUFKGRSKMMJLKU-UHFFFAOYSA-N 1 2 337.217 3.782 20 0 EHADLO COCc1c(C)cc(C)c(C[NH2+]Cc2nccc(C(F)F)n2)c1C ZINC000883120496 1137845341 /nfs/dbraw/zinc/84/53/41/1137845341.db2.gz FIWLDVAIRLUAAG-UHFFFAOYSA-N 1 2 335.398 3.776 20 0 EHADLO COc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1C(C)(C)C ZINC000883305085 1137853557 /nfs/dbraw/zinc/85/35/57/1137853557.db2.gz OGTBUOKPOIHACH-UHFFFAOYSA-N 1 2 325.456 3.952 20 0 EHADLO COCc1cc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)no1 ZINC000883324329 1137854859 /nfs/dbraw/zinc/85/48/59/1137854859.db2.gz PNXOHEMHZOUACS-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1cc(NCc2cc3ccccc3nc2N2CCOCC2)c[nH+]c1C ZINC000883342441 1137855952 /nfs/dbraw/zinc/85/59/52/1137855952.db2.gz XTADQUVPPGWYBC-UHFFFAOYSA-N 1 2 348.450 3.695 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)no1 ZINC000883385722 1137858971 /nfs/dbraw/zinc/85/89/71/1137858971.db2.gz RJYPMRWWHSHLRJ-YOEHRIQHSA-N 1 2 328.412 3.707 20 0 EHADLO CCc1nc(C[NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)cs1 ZINC000883394762 1137859434 /nfs/dbraw/zinc/85/94/34/1137859434.db2.gz GQALUSWJVIWCHY-INIZCTEOSA-N 1 2 344.480 3.868 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626177334 1137867529 /nfs/dbraw/zinc/86/75/29/1137867529.db2.gz LDPKRIYJOJCEJQ-UHFFFAOYSA-N 1 2 344.405 3.592 20 0 EHADLO O=C(Nc1ccccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282833651 1137869594 /nfs/dbraw/zinc/86/95/94/1137869594.db2.gz MPMJNFVBXZUPSZ-AWEZNQCLSA-N 1 2 342.418 3.770 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000348246022 1137875431 /nfs/dbraw/zinc/87/54/31/1137875431.db2.gz LBMPCSHGWXUMKA-UKRRQHHQSA-N 1 2 330.394 3.970 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000348246022 1137875432 /nfs/dbraw/zinc/87/54/32/1137875432.db2.gz LBMPCSHGWXUMKA-UKRRQHHQSA-N 1 2 330.394 3.970 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103300397 1137875853 /nfs/dbraw/zinc/87/58/53/1137875853.db2.gz JRMBFXQXFPJKEZ-GOSISDBHSA-N 1 2 326.444 3.627 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cscc2Br)cc1 ZINC000348253666 1137882650 /nfs/dbraw/zinc/88/26/50/1137882650.db2.gz LFFAKVRAVXUDDJ-UHFFFAOYSA-N 1 2 340.286 3.814 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cscc2Br)cc1 ZINC000348253666 1137882651 /nfs/dbraw/zinc/88/26/51/1137882651.db2.gz LFFAKVRAVXUDDJ-UHFFFAOYSA-N 1 2 340.286 3.814 20 0 EHADLO O=C(CC1=CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000106630433 1137884109 /nfs/dbraw/zinc/88/41/09/1137884109.db2.gz TVQKKCUWHUEJDD-UHFFFAOYSA-N 1 2 325.412 3.791 20 0 EHADLO C[C@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)c1ccccn1 ZINC000282857689 1137886205 /nfs/dbraw/zinc/88/62/05/1137886205.db2.gz WYBWLYRFUAHBTK-XPTSAGLGSA-N 1 2 337.192 3.768 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348286554 1137898883 /nfs/dbraw/zinc/89/88/83/1137898883.db2.gz SBTBJOMWWNLWFM-UMNHJUIQSA-N 1 2 325.334 3.669 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348286554 1137898884 /nfs/dbraw/zinc/89/88/84/1137898884.db2.gz SBTBJOMWWNLWFM-UMNHJUIQSA-N 1 2 325.334 3.669 20 0 EHADLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137893500 1137901806 /nfs/dbraw/zinc/90/18/06/1137901806.db2.gz XQWWXQMMHLSYPY-UHFFFAOYSA-N 1 2 343.389 3.905 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111158368 1137903747 /nfs/dbraw/zinc/90/37/47/1137903747.db2.gz ZVIUETAPCUQQID-RTWAWAEBSA-N 1 2 345.446 3.998 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1Br ZINC000112518381 1137908179 /nfs/dbraw/zinc/90/81/79/1137908179.db2.gz XBBFWSZSTULXAR-BDAKNGLRSA-N 1 2 340.221 3.561 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644566 1137915893 /nfs/dbraw/zinc/91/58/93/1137915893.db2.gz QZCUIJODVDPKRC-XJKSGUPXSA-N 1 2 329.444 3.959 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000331644566 1137915894 /nfs/dbraw/zinc/91/58/94/1137915894.db2.gz QZCUIJODVDPKRC-XJKSGUPXSA-N 1 2 329.444 3.959 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)c2n1 ZINC000114579058 1137917909 /nfs/dbraw/zinc/91/79/09/1137917909.db2.gz WUVPGUMYFFHLAT-UHFFFAOYSA-N 1 2 335.411 3.609 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1(C)C ZINC000331775997 1137920030 /nfs/dbraw/zinc/92/00/30/1137920030.db2.gz FBBIEMPUQUVUIV-HNNXBMFYSA-N 1 2 340.471 3.944 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000348302227 1137920133 /nfs/dbraw/zinc/92/01/33/1137920133.db2.gz BJQVPDJJMFNYLM-GOSISDBHSA-N 1 2 328.481 3.670 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000348302227 1137920134 /nfs/dbraw/zinc/92/01/34/1137920134.db2.gz BJQVPDJJMFNYLM-GOSISDBHSA-N 1 2 328.481 3.670 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000331902519 1137925141 /nfs/dbraw/zinc/92/51/41/1137925141.db2.gz JTNNOGMHMFQYQG-AWEZNQCLSA-N 1 2 335.496 3.519 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1C ZINC001202703625 1137932203 /nfs/dbraw/zinc/93/22/03/1137932203.db2.gz ZVPXBTPNZGDBLM-INIZCTEOSA-N 1 2 337.414 3.641 20 0 EHADLO CC(C)Sc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000118725294 1137934848 /nfs/dbraw/zinc/93/48/48/1137934848.db2.gz HWEYLVQTLQBXIM-UHFFFAOYSA-N 1 2 329.469 3.814 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000332303546 1137939030 /nfs/dbraw/zinc/93/90/30/1137939030.db2.gz IFLIGIINYNJJTD-CVEARBPZSA-N 1 2 333.407 3.857 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000332303546 1137939031 /nfs/dbraw/zinc/93/90/31/1137939031.db2.gz IFLIGIINYNJJTD-CVEARBPZSA-N 1 2 333.407 3.857 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000332423793 1137943475 /nfs/dbraw/zinc/94/34/75/1137943475.db2.gz XLRZPQSFGNUJFS-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000332423793 1137943476 /nfs/dbraw/zinc/94/34/76/1137943476.db2.gz XLRZPQSFGNUJFS-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000120356490 1137948969 /nfs/dbraw/zinc/94/89/69/1137948969.db2.gz SGZBZWVTZAORTF-UHFFFAOYSA-N 1 2 341.455 3.557 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120815035 1137952497 /nfs/dbraw/zinc/95/24/97/1137952497.db2.gz IWXIUWQNKNIRHJ-UHFFFAOYSA-N 1 2 345.446 3.879 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000121232431 1137956209 /nfs/dbraw/zinc/95/62/09/1137956209.db2.gz PUXHWINYPPNPBH-OAHLLOKOSA-N 1 2 345.512 3.966 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000333168831 1137957135 /nfs/dbraw/zinc/95/71/35/1137957135.db2.gz IXDPODCZVZLIMW-RDJZCZTQSA-N 1 2 329.444 3.572 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c[nH+]1 ZINC000884401547 1137958851 /nfs/dbraw/zinc/95/88/51/1137958851.db2.gz TVIORHAGARBMDJ-HOCLYGCPSA-N 1 2 341.377 3.572 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CCOC2(CCC2)C1 ZINC000885667621 1138017322 /nfs/dbraw/zinc/01/73/22/1138017322.db2.gz LKHNTVFPDRWZSI-INIZCTEOSA-N 1 2 340.423 3.573 20 0 EHADLO COc1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)c(F)c1OC ZINC000885961196 1138028511 /nfs/dbraw/zinc/02/85/11/1138028511.db2.gz VBVSOCJJMSCOOU-UHFFFAOYSA-N 1 2 336.432 3.777 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C)cc(OC)c2OC)o1 ZINC000885999738 1138031425 /nfs/dbraw/zinc/03/14/25/1138031425.db2.gz MFLZJIZKTWFDPM-INIZCTEOSA-N 1 2 333.428 3.645 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c(F)c1OC ZINC000886021034 1138033001 /nfs/dbraw/zinc/03/30/01/1138033001.db2.gz NPEOCONRHQVLCB-CYBMUJFWSA-N 1 2 337.778 3.720 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@H]2CCC[C@H]21 ZINC000890260935 1138043652 /nfs/dbraw/zinc/04/36/52/1138043652.db2.gz ORLLRGOVUSRYND-GUDVDZBRSA-N 1 2 338.455 3.599 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000053510881 1138046712 /nfs/dbraw/zinc/04/67/12/1138046712.db2.gz WSDAKNMVGCHSPL-NSHDSACASA-N 1 2 341.242 3.640 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000053510884 1138046818 /nfs/dbraw/zinc/04/68/18/1138046818.db2.gz WSDAKNMVGCHSPL-LLVKDONJSA-N 1 2 341.242 3.640 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(F)c1OC ZINC000886127056 1138049790 /nfs/dbraw/zinc/04/97/90/1138049790.db2.gz AEJSWCSAXDHGAN-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(Cl)c2)c1C ZINC000067915535 1138082276 /nfs/dbraw/zinc/08/22/76/1138082276.db2.gz CVBGKBFGIIJEAJ-UHFFFAOYSA-N 1 2 332.831 3.562 20 0 EHADLO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1nc(-c2cccnc2)no1 ZINC000886522258 1138089144 /nfs/dbraw/zinc/08/91/44/1138089144.db2.gz GAHPXQJZFVLLAG-HZPDHXFCSA-N 1 2 335.411 3.501 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccc(F)cc1F ZINC000886614205 1138101986 /nfs/dbraw/zinc/10/19/86/1138101986.db2.gz PWYNLEIRPANQHX-BONVTDFDSA-N 1 2 348.315 3.568 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccc(F)cc1F ZINC000886614205 1138101987 /nfs/dbraw/zinc/10/19/87/1138101987.db2.gz PWYNLEIRPANQHX-BONVTDFDSA-N 1 2 348.315 3.568 20 0 EHADLO CSc1cccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075997590 1138129709 /nfs/dbraw/zinc/12/97/09/1138129709.db2.gz IROIOWSQAPFWCT-UHFFFAOYSA-N 1 2 332.391 3.621 20 0 EHADLO CCC1(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000078492344 1138149701 /nfs/dbraw/zinc/14/97/01/1138149701.db2.gz XTYSSLPEYWMELH-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000079103045 1138154767 /nfs/dbraw/zinc/15/47/67/1138154767.db2.gz KHFKVZPQRVOYHB-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H]2c2cccn2C)n1 ZINC000079395871 1138155929 /nfs/dbraw/zinc/15/59/29/1138155929.db2.gz VSUJNTDUHUXNFH-GOSISDBHSA-N 1 2 336.439 3.644 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccn2C)n1 ZINC000079395871 1138155930 /nfs/dbraw/zinc/15/59/30/1138155930.db2.gz VSUJNTDUHUXNFH-GOSISDBHSA-N 1 2 336.439 3.644 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)o1 ZINC000080238346 1138161773 /nfs/dbraw/zinc/16/17/73/1138161773.db2.gz IMVZUTZBTWXYIA-SFHVURJKSA-N 1 2 325.412 3.559 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@H]3CCc4c3cccc4F)o2)cc1 ZINC000886921115 1138172604 /nfs/dbraw/zinc/17/26/04/1138172604.db2.gz XYBPYDUMQBUWEP-KRWDZBQOSA-N 1 2 339.370 3.661 20 0 EHADLO COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000886940474 1138173774 /nfs/dbraw/zinc/17/37/74/1138173774.db2.gz XRVQCXLXQUTSKO-WFASDCNBSA-N 1 2 337.366 3.542 20 0 EHADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3ncc(C(C)(C)C)o3)[nH+]c12 ZINC000085225750 1138183447 /nfs/dbraw/zinc/18/34/47/1138183447.db2.gz NOOPQSHPBVTWFX-RKNYENMMSA-N 1 2 345.468 3.938 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCSCC1 ZINC000089982485 1138208241 /nfs/dbraw/zinc/20/82/41/1138208241.db2.gz ITQSVXDEFHCCCE-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCSCC1 ZINC000089982485 1138208242 /nfs/dbraw/zinc/20/82/42/1138208242.db2.gz ITQSVXDEFHCCCE-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000887103565 1138212140 /nfs/dbraw/zinc/21/21/40/1138212140.db2.gz DAHIKXVWOHMFOQ-UHFFFAOYSA-N 1 2 336.391 3.614 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000887103565 1138212142 /nfs/dbraw/zinc/21/21/42/1138212142.db2.gz DAHIKXVWOHMFOQ-UHFFFAOYSA-N 1 2 336.391 3.614 20 0 EHADLO Cn1cnc(C[NH2+][C@H](CCc2ccccc2Cl)c2ccccc2)n1 ZINC000090970263 1138214557 /nfs/dbraw/zinc/21/45/57/1138214557.db2.gz GSAKQFHLLWUKFV-GOSISDBHSA-N 1 2 340.858 3.932 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3coc(-c4ccccc4)n3)c(C)n2n1 ZINC000091729654 1138220896 /nfs/dbraw/zinc/22/08/96/1138220896.db2.gz WPPSVQIPTHBZTK-CQSZACIVSA-N 1 2 347.422 3.852 20 0 EHADLO OC[C@@H]1CC[N@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000092763095 1138231820 /nfs/dbraw/zinc/23/18/20/1138231820.db2.gz YVBJXPFQTBLAJW-LLVKDONJSA-N 1 2 340.901 3.762 20 0 EHADLO OC[C@@H]1CC[N@@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000092763095 1138231821 /nfs/dbraw/zinc/23/18/21/1138231821.db2.gz YVBJXPFQTBLAJW-LLVKDONJSA-N 1 2 340.901 3.762 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092900442 1138232626 /nfs/dbraw/zinc/23/26/26/1138232626.db2.gz RVCSYHFKMDAJOA-GFCCVEGCSA-N 1 2 339.296 3.608 20 0 EHADLO CC(C)Cc1ncc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)s1 ZINC000093413663 1138237367 /nfs/dbraw/zinc/23/73/67/1138237367.db2.gz RGUXBOJJFWVVED-INIZCTEOSA-N 1 2 344.528 3.615 20 0 EHADLO CC(C)Cc1ncc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)s1 ZINC000093413663 1138237369 /nfs/dbraw/zinc/23/73/69/1138237369.db2.gz RGUXBOJJFWVVED-INIZCTEOSA-N 1 2 344.528 3.615 20 0 EHADLO OCc1ccc(C[N@H+](Cc2csc(Br)c2)C2CC2)o1 ZINC000093763880 1138240856 /nfs/dbraw/zinc/24/08/56/1138240856.db2.gz TVDWGRRRUPSTSO-UHFFFAOYSA-N 1 2 342.258 3.761 20 0 EHADLO OCc1ccc(C[N@@H+](Cc2csc(Br)c2)C2CC2)o1 ZINC000093763880 1138240859 /nfs/dbraw/zinc/24/08/59/1138240859.db2.gz TVDWGRRRUPSTSO-UHFFFAOYSA-N 1 2 342.258 3.761 20 0 EHADLO C[C@H]1CCN(C(=O)COc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000123490315 1138270855 /nfs/dbraw/zinc/27/08/55/1138270855.db2.gz AWJZRSLULLBUIS-JXFKEZNVSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124063809 1138278916 /nfs/dbraw/zinc/27/89/16/1138278916.db2.gz GOLYRZUCSCWTEM-RISCZKNCSA-N 1 2 338.238 3.913 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000124388693 1138285510 /nfs/dbraw/zinc/28/55/10/1138285510.db2.gz WIGDOBCBBOCKOD-JXFKEZNVSA-N 1 2 333.435 3.689 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124888431 1138296519 /nfs/dbraw/zinc/29/65/19/1138296519.db2.gz DUKFUCWXSVRULL-CRAIPNDOSA-N 1 2 342.443 3.787 20 0 EHADLO CC1(C)CCc2sc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)nc21 ZINC000333606273 1138310255 /nfs/dbraw/zinc/31/02/55/1138310255.db2.gz XHLJVIXZOUGTRN-UHFFFAOYSA-N 1 2 345.472 3.502 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000333729932 1138326498 /nfs/dbraw/zinc/32/64/98/1138326498.db2.gz KVXGEIGKBMLANQ-HBUWYVDXSA-N 1 2 339.439 3.638 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263658392 1138337468 /nfs/dbraw/zinc/33/74/68/1138337468.db2.gz DCYPRMKGPYLUAB-OXQOHEQNSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263658392 1138337471 /nfs/dbraw/zinc/33/74/71/1138337471.db2.gz DCYPRMKGPYLUAB-OXQOHEQNSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263737971 1138353289 /nfs/dbraw/zinc/35/32/89/1138353289.db2.gz CWQSOTDAEFZIIF-UHFFFAOYSA-N 1 2 340.471 3.585 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127542669 1138361706 /nfs/dbraw/zinc/36/17/06/1138361706.db2.gz OYWYHOCACXNUJF-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127542669 1138361709 /nfs/dbraw/zinc/36/17/09/1138361709.db2.gz OYWYHOCACXNUJF-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CC(C)c1ccc(OCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263910538 1138391536 /nfs/dbraw/zinc/39/15/36/1138391536.db2.gz BYJUOMOSQUCKKV-QGZVFWFLSA-N 1 2 341.455 3.708 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000263961481 1138398570 /nfs/dbraw/zinc/39/85/70/1138398570.db2.gz QOAHVRSKHZDJNQ-IAGOWNOFSA-N 1 2 326.444 3.696 20 0 EHADLO COc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129234974 1138407030 /nfs/dbraw/zinc/40/70/30/1138407030.db2.gz HOHLUQFVLOSASR-WBMJQRKESA-N 1 2 348.834 3.660 20 0 EHADLO CCc1ccccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000129674223 1138417318 /nfs/dbraw/zinc/41/73/18/1138417318.db2.gz NGWVHFPITGNTRN-UHFFFAOYSA-N 1 2 338.451 3.642 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860711 1138425380 /nfs/dbraw/zinc/42/53/80/1138425380.db2.gz NNKXZFVMRVGEDU-BDJLRTHQSA-N 1 2 330.453 3.728 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860711 1138425382 /nfs/dbraw/zinc/42/53/82/1138425382.db2.gz NNKXZFVMRVGEDU-BDJLRTHQSA-N 1 2 330.453 3.728 20 0 EHADLO COc1ccc(C2CC(Nc3[nH+]c(C)nc4[nH]ccc43)C2)cc1F ZINC000336912515 1138426288 /nfs/dbraw/zinc/42/62/88/1138426288.db2.gz YYRGINRSGFTBTJ-UHFFFAOYSA-N 1 2 326.375 3.772 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000264191188 1138438616 /nfs/dbraw/zinc/43/86/16/1138438616.db2.gz GDSSZDRSYHBVBM-AWEZNQCLSA-N 1 2 344.842 3.986 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)c1OC ZINC000130211052 1138441822 /nfs/dbraw/zinc/44/18/22/1138441822.db2.gz HDCJRNTVGFCBBP-LBPRGKRZSA-N 1 2 332.469 3.890 20 0 EHADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000130390389 1138452448 /nfs/dbraw/zinc/45/24/48/1138452448.db2.gz ZCMUPKTYUNYJKF-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000130390389 1138452451 /nfs/dbraw/zinc/45/24/51/1138452451.db2.gz ZCMUPKTYUNYJKF-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO CC(C)CN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000264274343 1138460714 /nfs/dbraw/zinc/46/07/14/1138460714.db2.gz VHPSCAVXLANWJW-MRXNPFEDSA-N 1 2 345.487 3.732 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337135140 1138475783 /nfs/dbraw/zinc/47/57/83/1138475783.db2.gz DBKOUOXVOXHBEG-KRWDZBQOSA-N 1 2 349.478 3.728 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337189026 1138489927 /nfs/dbraw/zinc/48/99/27/1138489927.db2.gz REYFPKNNOQKYHK-UHFFFAOYSA-N 1 2 337.389 3.693 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000337189026 1138489929 /nfs/dbraw/zinc/48/99/29/1138489929.db2.gz REYFPKNNOQKYHK-UHFFFAOYSA-N 1 2 337.389 3.693 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1Cl ZINC000337261846 1138512408 /nfs/dbraw/zinc/51/24/08/1138512408.db2.gz XVAPKJHGDGQPHE-UHFFFAOYSA-N 1 2 344.802 3.637 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc2ccsc21 ZINC000337349074 1138540858 /nfs/dbraw/zinc/54/08/58/1138540858.db2.gz OXJHUPIASWPJMS-UHFFFAOYSA-N 1 2 326.425 3.920 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000337397470 1138556476 /nfs/dbraw/zinc/55/64/76/1138556476.db2.gz JWCFMJCGWBHKNQ-WMZHIEFXSA-N 1 2 331.456 3.803 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000337397470 1138556478 /nfs/dbraw/zinc/55/64/78/1138556478.db2.gz JWCFMJCGWBHKNQ-WMZHIEFXSA-N 1 2 331.456 3.803 20 0 EHADLO CCc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000337516487 1138592413 /nfs/dbraw/zinc/59/24/13/1138592413.db2.gz QLYSOQPBUJGWMM-UHFFFAOYSA-N 1 2 334.423 3.816 20 0 EHADLO CCOc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000264697910 1138609010 /nfs/dbraw/zinc/60/90/10/1138609010.db2.gz GEYWVVIZUGSWJM-CQSZACIVSA-N 1 2 328.416 3.528 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000264722182 1138617455 /nfs/dbraw/zinc/61/74/55/1138617455.db2.gz LHQRUWCYOFBILA-GFCCVEGCSA-N 1 2 348.476 3.576 20 0 EHADLO O=C(c1cccc2ccsc21)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337606479 1138619470 /nfs/dbraw/zinc/61/94/70/1138619470.db2.gz VJQITKBEUCBYSQ-QGZVFWFLSA-N 1 2 340.423 3.827 20 0 EHADLO CC(=O)Nc1cccc2c1CCCN2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337619214 1138623182 /nfs/dbraw/zinc/62/31/82/1138623182.db2.gz DIQGQYSKPDGYCP-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337669812 1138639595 /nfs/dbraw/zinc/63/95/95/1138639595.db2.gz VNQGNIPUROKRSG-POAQFYNOSA-N 1 2 349.478 3.544 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000337937623 1138701806 /nfs/dbraw/zinc/70/18/06/1138701806.db2.gz HEBYXYVHOOSFLA-NOZJJQNGSA-N 1 2 334.210 3.638 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCCCC2)C[C@H](C)O1 ZINC000337937645 1138701820 /nfs/dbraw/zinc/70/18/20/1138701820.db2.gz QHOHWXJYNFSAKH-IRXDYDNUSA-N 1 2 345.487 3.704 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134795039 1138705912 /nfs/dbraw/zinc/70/59/12/1138705912.db2.gz TWULYVZWBWFPQN-IRXDYDNUSA-N 1 2 347.434 3.639 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134795039 1138705918 /nfs/dbraw/zinc/70/59/18/1138705918.db2.gz TWULYVZWBWFPQN-IRXDYDNUSA-N 1 2 347.434 3.639 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134810772 1138706679 /nfs/dbraw/zinc/70/66/79/1138706679.db2.gz GPUPBGZQZDYRNY-HOTGVXAUSA-N 1 2 347.434 3.594 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134810772 1138706683 /nfs/dbraw/zinc/70/66/83/1138706683.db2.gz GPUPBGZQZDYRNY-HOTGVXAUSA-N 1 2 347.434 3.594 20 0 EHADLO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1nccc(N)n1 ZINC000134996355 1138718608 /nfs/dbraw/zinc/71/86/08/1138718608.db2.gz ZCUTXHMRLZKECJ-UHFFFAOYSA-N 1 2 325.243 3.776 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1nccc(N)n1 ZINC000134996355 1138718609 /nfs/dbraw/zinc/71/86/09/1138718609.db2.gz ZCUTXHMRLZKECJ-UHFFFAOYSA-N 1 2 325.243 3.776 20 0 EHADLO CCN(c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cn1)C(C)C ZINC000338003212 1138720766 /nfs/dbraw/zinc/72/07/66/1138720766.db2.gz HHRNXQKDCSBSHS-UHFFFAOYSA-N 1 2 349.438 3.754 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000338044507 1138732241 /nfs/dbraw/zinc/73/22/41/1138732241.db2.gz UTUNVNREFJFCIJ-UHFFFAOYSA-N 1 2 346.843 3.613 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000338060130 1138736991 /nfs/dbraw/zinc/73/69/91/1138736991.db2.gz MWAXKISCAVGJSO-UHFFFAOYSA-N 1 2 339.370 3.630 20 0 EHADLO Cc1cccnc1[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000265144085 1138744428 /nfs/dbraw/zinc/74/44/28/1138744428.db2.gz APASWUIVOTXXGZ-LJQANCHMSA-N 1 2 348.450 3.762 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000265169647 1138753893 /nfs/dbraw/zinc/75/38/93/1138753893.db2.gz AGQUXZXYYBIBRQ-HOTGVXAUSA-N 1 2 326.444 3.677 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)s1 ZINC000338174907 1138774811 /nfs/dbraw/zinc/77/48/11/1138774811.db2.gz WGLUBJYBLQXJTQ-INIZCTEOSA-N 1 2 339.468 3.525 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000338279416 1138814188 /nfs/dbraw/zinc/81/41/88/1138814188.db2.gz YTOMFOYMTUGIFB-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2OC)[C@@H](CC)CN1C(C)=O ZINC000338303520 1138825298 /nfs/dbraw/zinc/82/52/98/1138825298.db2.gz HEFUTNSUQCDVNN-GJZGRUSLSA-N 1 2 338.879 3.570 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2OC)[C@@H](CC)CN1C(C)=O ZINC000338303520 1138825303 /nfs/dbraw/zinc/82/53/03/1138825303.db2.gz HEFUTNSUQCDVNN-GJZGRUSLSA-N 1 2 338.879 3.570 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cscn2)CC2CCC2)c(OC)c1 ZINC000338333024 1138837770 /nfs/dbraw/zinc/83/77/70/1138837770.db2.gz OVHMXZLFWQHNLI-UHFFFAOYSA-N 1 2 332.469 3.963 20 0 EHADLO COc1ccc(C[N@H+](Cc2cscn2)CC2CCC2)c(OC)c1 ZINC000338333024 1138837775 /nfs/dbraw/zinc/83/77/75/1138837775.db2.gz OVHMXZLFWQHNLI-UHFFFAOYSA-N 1 2 332.469 3.963 20 0 EHADLO Cc1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)nc(C2CC2)[nH+]1 ZINC000265398794 1138856421 /nfs/dbraw/zinc/85/64/21/1138856421.db2.gz XHUCFBPQHYXOPV-ZDUSSCGKSA-N 1 2 338.411 3.792 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccncc1F ZINC000338369434 1138864681 /nfs/dbraw/zinc/86/46/81/1138864681.db2.gz OUGHZGQHQASUCM-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)cn1 ZINC000348487361 1138917999 /nfs/dbraw/zinc/91/79/99/1138917999.db2.gz BEKZCBQYNFHBNB-UHFFFAOYSA-N 1 2 331.363 3.590 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000338467828 1138929781 /nfs/dbraw/zinc/92/97/81/1138929781.db2.gz ZCLSQVFHIGUUPI-OALUTQOASA-N 1 2 337.467 3.544 20 0 EHADLO COCCc1noc(C[N@H+](C)Cc2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000151025820 1139001591 /nfs/dbraw/zinc/00/15/91/1139001591.db2.gz HGUPCPZWNQWBJO-UHFFFAOYSA-N 1 2 345.487 3.805 20 0 EHADLO COCCc1noc(C[N@@H+](C)Cc2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000151025820 1139001598 /nfs/dbraw/zinc/00/15/98/1139001598.db2.gz HGUPCPZWNQWBJO-UHFFFAOYSA-N 1 2 345.487 3.805 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000151673425 1139051803 /nfs/dbraw/zinc/05/18/03/1139051803.db2.gz LHHLRLRHPMBAKX-GRDNDAEWSA-N 1 2 346.862 3.890 20 0 EHADLO Cc1c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)oc2c1c(C)ccc2C ZINC000153695118 1139147309 /nfs/dbraw/zinc/14/73/09/1139147309.db2.gz CKYDMQRDCZXEGM-LBPRGKRZSA-N 1 2 325.412 3.621 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000889544005 1139229345 /nfs/dbraw/zinc/22/93/45/1139229345.db2.gz AQXIPVWZEYAXQX-VPLLLXJESA-N 1 2 342.487 3.636 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001137260053 1139301531 /nfs/dbraw/zinc/30/15/31/1139301531.db2.gz CPYQWRDMQDKARP-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001137260053 1139301535 /nfs/dbraw/zinc/30/15/35/1139301535.db2.gz CPYQWRDMQDKARP-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO CC[C@@](C)(NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890243374 1139329156 /nfs/dbraw/zinc/32/91/56/1139329156.db2.gz KFKLCSWTSSOJDW-IEBWSBKVSA-N 1 2 326.444 3.502 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(C)(C)C1 ZINC000890245982 1139329430 /nfs/dbraw/zinc/32/94/30/1139329430.db2.gz DOSHWLGOIPDIRX-SFHVURJKSA-N 1 2 340.471 3.845 20 0 EHADLO C[C@H](C1CC1)N(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259567 1139333172 /nfs/dbraw/zinc/33/31/72/1139333172.db2.gz ZOZNVMNNOATXJP-DNVCBOLYSA-N 1 2 338.455 3.597 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(C(F)F)cc1F ZINC000826690804 1139348977 /nfs/dbraw/zinc/34/89/77/1139348977.db2.gz UMKVACBVCXOTOL-MRXNPFEDSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(C(F)F)cc1F ZINC000826690804 1139348986 /nfs/dbraw/zinc/34/89/86/1139348986.db2.gz UMKVACBVCXOTOL-MRXNPFEDSA-N 1 2 334.341 3.680 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(Cl)cc2c[nH]nc21)n1cc[nH+]c1 ZINC000890494814 1139367517 /nfs/dbraw/zinc/36/75/17/1139367517.db2.gz MNMXIHWDJZBDNF-CQSZACIVSA-N 1 2 331.807 3.639 20 0 EHADLO C[C@H](c1ccc2ccccc2c1)N(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000173946647 1139388754 /nfs/dbraw/zinc/38/87/54/1139388754.db2.gz SPWUXAFKNHKRTB-MRXNPFEDSA-N 1 2 348.450 3.972 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000175160709 1139469156 /nfs/dbraw/zinc/46/91/56/1139469156.db2.gz QPEZHALMURECHS-OAHLLOKOSA-N 1 2 325.416 3.571 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)s1 ZINC000175258272 1139476609 /nfs/dbraw/zinc/47/66/09/1139476609.db2.gz BMFSNBXCSZSFMS-SMDDNHRTSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000175266793 1139477684 /nfs/dbraw/zinc/47/76/84/1139477684.db2.gz RGSSCTVODQFNGG-NXEZZACHSA-N 1 2 348.497 3.778 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)o1 ZINC000176125733 1139541245 /nfs/dbraw/zinc/54/12/45/1139541245.db2.gz NQSOZCJIWHQMIS-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)o1 ZINC000176125733 1139541248 /nfs/dbraw/zinc/54/12/48/1139541248.db2.gz NQSOZCJIWHQMIS-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO CCCCCn1cc(C(=O)OCc2c[nH+]cn2C)c2ccccc21 ZINC000777322272 1139597363 /nfs/dbraw/zinc/59/73/63/1139597363.db2.gz HBJBMYFKECLFHD-UHFFFAOYSA-N 1 2 325.412 3.922 20 0 EHADLO C[C@@H]1CCN(C(=O)COc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000177491244 1139622858 /nfs/dbraw/zinc/62/28/58/1139622858.db2.gz OOOLIJCNXGDAIV-APWZRJJASA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc3scnc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000177606520 1139629017 /nfs/dbraw/zinc/62/90/17/1139629017.db2.gz KHJTUFRLZHHLTP-DOMZBBRYSA-N 1 2 341.440 3.608 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000179662163 1139773007 /nfs/dbraw/zinc/77/30/07/1139773007.db2.gz ZXOXXLGWLBHPMH-GOSISDBHSA-N 1 2 347.480 3.867 20 0 EHADLO CCOCc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000179662163 1139773010 /nfs/dbraw/zinc/77/30/10/1139773010.db2.gz ZXOXXLGWLBHPMH-GOSISDBHSA-N 1 2 347.480 3.867 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179757583 1139780953 /nfs/dbraw/zinc/78/09/53/1139780953.db2.gz GJNCDWPVOKHXBJ-ZDUSSCGKSA-N 1 2 342.443 3.612 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776205 1139781932 /nfs/dbraw/zinc/78/19/32/1139781932.db2.gz HLNOAWBNBNGGKC-GFCCVEGCSA-N 1 2 342.443 3.566 20 0 EHADLO CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(Cl)cc1 ZINC000180426771 1139833370 /nfs/dbraw/zinc/83/33/70/1139833370.db2.gz OAIYKWQFGQCOHW-UHFFFAOYSA-N 1 2 347.875 3.997 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180826808 1139865513 /nfs/dbraw/zinc/86/55/13/1139865513.db2.gz YTCHLIURMSEILU-IRXDYDNUSA-N 1 2 331.504 3.829 20 0 EHADLO C[C@H](CNC(=O)CCCc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000180964522 1139875073 /nfs/dbraw/zinc/87/50/73/1139875073.db2.gz QFELUSMMLRNPHF-QGZVFWFLSA-N 1 2 335.451 3.812 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(Br)cc1 ZINC000181129304 1139887885 /nfs/dbraw/zinc/88/78/85/1139887885.db2.gz GKQOUVCQBWRGDG-JTQLQIEISA-N 1 2 338.249 3.980 20 0 EHADLO c1nc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)nn1-c1ccccc1 ZINC000181217704 1139893763 /nfs/dbraw/zinc/89/37/63/1139893763.db2.gz QQFQMNGEPVCTET-FXAWDEMLSA-N 1 2 348.450 3.525 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000181459465 1139908504 /nfs/dbraw/zinc/90/85/04/1139908504.db2.gz DCOUMOZYGBBMTF-UHFFFAOYSA-N 1 2 326.444 3.524 20 0 EHADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(O)c3)n2)ccc1C ZINC000181523208 1139912153 /nfs/dbraw/zinc/91/21/53/1139912153.db2.gz MNSXJOAYRYJXRM-CYBMUJFWSA-N 1 2 339.395 3.610 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cccc(O)c3)n2)cc1 ZINC000181533481 1139913117 /nfs/dbraw/zinc/91/31/17/1139913117.db2.gz KKRQYLLHJPDKEW-QWHCGFSZSA-N 1 2 339.395 3.863 20 0 EHADLO Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3cccnc3)nc(N)c2c1C ZINC000181668193 1139923658 /nfs/dbraw/zinc/92/36/58/1139923658.db2.gz QERUEUOGXGQULK-WDEREUQCSA-N 1 2 327.457 3.697 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2csc(-c3ccccn3)n2)cc1 ZINC000181966094 1139942593 /nfs/dbraw/zinc/94/25/93/1139942593.db2.gz RZEPYZDUXCMOOQ-UHFFFAOYSA-N 1 2 339.464 3.508 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2csc(-c3ccccn3)n2)cc1 ZINC000181966094 1139942598 /nfs/dbraw/zinc/94/25/98/1139942598.db2.gz RZEPYZDUXCMOOQ-UHFFFAOYSA-N 1 2 339.464 3.508 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1nccn1C ZINC000182624309 1139982648 /nfs/dbraw/zinc/98/26/48/1139982648.db2.gz AKBFHZWELRJHHY-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1csc(-c2cccs2)n1 ZINC000357437821 1140048128 /nfs/dbraw/zinc/04/81/28/1140048128.db2.gz LFRRYURSTGXXGS-UHFFFAOYSA-N 1 2 326.406 3.772 20 0 EHADLO CC(C)OCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000184478698 1140105104 /nfs/dbraw/zinc/10/51/04/1140105104.db2.gz BOIUGYQNJCHPAW-SFHVURJKSA-N 1 2 337.423 3.841 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000184679870 1140114569 /nfs/dbraw/zinc/11/45/69/1140114569.db2.gz RZFJHOZOTBNTCZ-SECBINFHSA-N 1 2 341.839 3.787 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)o1 ZINC000184859216 1140123488 /nfs/dbraw/zinc/12/34/88/1140123488.db2.gz RHMQHDVEVRKJGK-CRAIPNDOSA-N 1 2 344.455 3.763 20 0 EHADLO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184892586 1140124647 /nfs/dbraw/zinc/12/46/47/1140124647.db2.gz JQGLIMWDEZEFSF-HNNXBMFYSA-N 1 2 329.444 3.641 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000185583818 1140156856 /nfs/dbraw/zinc/15/68/56/1140156856.db2.gz URGSMLFNUUTODP-AWEZNQCLSA-N 1 2 349.862 3.541 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000185583818 1140156857 /nfs/dbraw/zinc/15/68/57/1140156857.db2.gz URGSMLFNUUTODP-AWEZNQCLSA-N 1 2 349.862 3.541 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000186804902 1140222542 /nfs/dbraw/zinc/22/25/42/1140222542.db2.gz QMWPIUPVKGJWJF-GFCCVEGCSA-N 1 2 336.407 3.988 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000187011690 1140232397 /nfs/dbraw/zinc/23/23/97/1140232397.db2.gz REXLGDIDYXWIDR-UHFFFAOYSA-N 1 2 334.370 3.817 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc(Cl)cc2F)c1 ZINC000189412844 1140342397 /nfs/dbraw/zinc/34/23/97/1140342397.db2.gz RKFFSAMCZNICDA-UHFFFAOYSA-N 1 2 326.824 3.712 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)o1 ZINC000190039970 1140382650 /nfs/dbraw/zinc/38/26/50/1140382650.db2.gz GFPCDASPFYXULD-LJQANCHMSA-N 1 2 329.371 3.676 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)o1 ZINC000190039970 1140382657 /nfs/dbraw/zinc/38/26/57/1140382657.db2.gz GFPCDASPFYXULD-LJQANCHMSA-N 1 2 329.371 3.676 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c(Cl)c1 ZINC000190420558 1140402303 /nfs/dbraw/zinc/40/23/03/1140402303.db2.gz ZCUVLGJXUUTSGP-GFCCVEGCSA-N 1 2 326.893 3.580 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c(Cl)c1 ZINC000190420558 1140402309 /nfs/dbraw/zinc/40/23/09/1140402309.db2.gz ZCUVLGJXUUTSGP-GFCCVEGCSA-N 1 2 326.893 3.580 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)c(C)c1 ZINC000191888662 1140491838 /nfs/dbraw/zinc/49/18/38/1140491838.db2.gz GCEFOCNSMOYTNB-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ncc(C(C)C)s1 ZINC000191943158 1140494876 /nfs/dbraw/zinc/49/48/76/1140494876.db2.gz WGUZDYUGXXLRLI-UHFFFAOYSA-N 1 2 349.504 3.970 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(SCC)nc1 ZINC000192250987 1140513648 /nfs/dbraw/zinc/51/36/48/1140513648.db2.gz ISKKUPKPYPOLAS-UHFFFAOYSA-N 1 2 346.500 3.505 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)cc1F ZINC000192257558 1140515604 /nfs/dbraw/zinc/51/56/04/1140515604.db2.gz AMEQPIPPGOKZFD-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C)c1Cl ZINC000192261615 1140516641 /nfs/dbraw/zinc/51/66/41/1140516641.db2.gz AJCDAPBYPQTRTB-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cocn2)ccc1OCc1ccncc1 ZINC000192288599 1140520192 /nfs/dbraw/zinc/52/01/92/1140520192.db2.gz KWFZMQRHEOKBFT-CQSZACIVSA-N 1 2 339.395 3.508 20 0 EHADLO CC(C)c1cnc(NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000192396318 1140528833 /nfs/dbraw/zinc/52/88/33/1140528833.db2.gz XVWPVDWFZYGBEW-UHFFFAOYSA-N 1 2 333.461 3.675 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)CC2 ZINC000429575999 1140576385 /nfs/dbraw/zinc/57/63/85/1140576385.db2.gz FNAJMXIKBIAJAS-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)CC2 ZINC000429575999 1140576388 /nfs/dbraw/zinc/57/63/88/1140576388.db2.gz FNAJMXIKBIAJAS-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(Cl)cc1 ZINC000193683387 1140584065 /nfs/dbraw/zinc/58/40/65/1140584065.db2.gz QSOUNWRYZPVFTL-KRWDZBQOSA-N 1 2 329.831 3.773 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(Cl)nc2C)c1C ZINC000194666352 1140617857 /nfs/dbraw/zinc/61/78/57/1140617857.db2.gz UHJKDRIVOLBDSZ-UHFFFAOYSA-N 1 2 348.834 3.728 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H](COCCOC)C3)cc[nH+]c12 ZINC000194722006 1140620224 /nfs/dbraw/zinc/62/02/24/1140620224.db2.gz KOOFVDZTSVCKCR-MRXNPFEDSA-N 1 2 344.455 3.513 20 0 EHADLO C[C@@H](SCc1ccnc(N)c1)[C@@H](C)SCc1cc[nH+]c(N)c1 ZINC000195502754 1140640424 /nfs/dbraw/zinc/64/04/24/1140640424.db2.gz UFGCMNKCWRIMEG-VXGBXAGGSA-N 1 2 334.514 3.585 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266301156 1140665637 /nfs/dbraw/zinc/66/56/37/1140665637.db2.gz RARIXYUKUSBTJF-GOEBONIOSA-N 1 2 329.419 3.524 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266489544 1140694234 /nfs/dbraw/zinc/69/42/34/1140694234.db2.gz SDBAMMNYDHTAJN-OAHLLOKOSA-N 1 2 331.485 3.535 20 0 EHADLO CCC[C@@H](C)c1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n[nH]1 ZINC000266514014 1140697646 /nfs/dbraw/zinc/69/76/46/1140697646.db2.gz MSDIBUZUXHHTNU-CQSZACIVSA-N 1 2 337.427 3.810 20 0 EHADLO Cc1cccc(C)c1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000266609199 1140707396 /nfs/dbraw/zinc/70/73/96/1140707396.db2.gz BTAHAUBAOLPIMA-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@H]1C ZINC000266730535 1140719485 /nfs/dbraw/zinc/71/94/85/1140719485.db2.gz KTWKWRRLSJMERI-AEFFLSMTSA-N 1 2 344.503 3.518 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCCOc2ccccc2)n1 ZINC000266737266 1140720303 /nfs/dbraw/zinc/72/03/03/1140720303.db2.gz NGXUIKQBYSOVLB-MRXNPFEDSA-N 1 2 347.459 3.704 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCCOc2ccccc2)n1 ZINC000266737266 1140720308 /nfs/dbraw/zinc/72/03/08/1140720308.db2.gz NGXUIKQBYSOVLB-MRXNPFEDSA-N 1 2 347.459 3.704 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267157962 1140763750 /nfs/dbraw/zinc/76/37/50/1140763750.db2.gz PMZVZWTUUAHVLL-UKRRQHHQSA-N 1 2 347.846 3.627 20 0 EHADLO CCOc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C ZINC000267475614 1140795774 /nfs/dbraw/zinc/79/57/74/1140795774.db2.gz WIIZGAGNBRBIDZ-UHFFFAOYSA-N 1 2 328.416 3.528 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267585563 1140807005 /nfs/dbraw/zinc/80/70/05/1140807005.db2.gz OCOPOMQAWBWBCQ-DYESRHJHSA-N 1 2 345.446 3.950 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1OC ZINC000268235415 1140907261 /nfs/dbraw/zinc/90/72/61/1140907261.db2.gz VOFAWXCGMUMOLR-UHFFFAOYSA-N 1 2 335.473 3.533 20 0 EHADLO C[C@@H]1CCN(c2ncnc3cc(Cl)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000268269859 1140912957 /nfs/dbraw/zinc/91/29/57/1140912957.db2.gz OJQBICNVJLJIQU-WBMJQRKESA-N 1 2 327.819 3.567 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268350097 1140924852 /nfs/dbraw/zinc/92/48/52/1140924852.db2.gz DEEPEYJBCKHLBJ-DNVCBOLYSA-N 1 2 339.439 3.538 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268352227 1140925126 /nfs/dbraw/zinc/92/51/26/1140925126.db2.gz RGQFKLWQZLGMJS-RYQLBKOJSA-N 1 2 326.444 3.627 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268352229 1140925257 /nfs/dbraw/zinc/92/52/57/1140925257.db2.gz RGQFKLWQZLGMJS-SZMVWBNQSA-N 1 2 326.444 3.627 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(N2CCCCC2)cc1 ZINC000268504798 1140949214 /nfs/dbraw/zinc/94/92/14/1140949214.db2.gz BCDUROBFOLRGHE-UHFFFAOYSA-N 1 2 349.438 3.646 20 0 EHADLO Cc1csc(C[NH2+][C@H]2CCOc3c(Br)cccc32)n1 ZINC000268727719 1140976988 /nfs/dbraw/zinc/97/69/88/1140976988.db2.gz BEUOTZBPQIKNMU-LBPRGKRZSA-N 1 2 339.258 3.827 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)CCCO2 ZINC000269089007 1141063097 /nfs/dbraw/zinc/06/30/97/1141063097.db2.gz PZVDUVBPVPIZMR-MLGOLLRUSA-N 1 2 348.468 3.863 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)CCCO2 ZINC000269088990 1141063669 /nfs/dbraw/zinc/06/36/69/1141063669.db2.gz PZVDUVBPVPIZMR-BLLLJJGKSA-N 1 2 348.468 3.863 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269429980 1141107847 /nfs/dbraw/zinc/10/78/47/1141107847.db2.gz KYWYKJBPPXBLOC-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269448386 1141110077 /nfs/dbraw/zinc/11/00/77/1141110077.db2.gz ORGATEQUVWHUJD-HNNXBMFYSA-N 1 2 343.496 3.685 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269762546 1141142343 /nfs/dbraw/zinc/14/23/43/1141142343.db2.gz YTHLTNKSMYIEOA-RDJZCZTQSA-N 1 2 341.455 3.708 20 0 EHADLO CC(C)(C)O[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000270061754 1141174536 /nfs/dbraw/zinc/17/45/36/1141174536.db2.gz XFUHSJMLKZANCG-KRWDZBQOSA-N 1 2 341.455 3.672 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270169968 1141187999 /nfs/dbraw/zinc/18/79/99/1141187999.db2.gz BITYCCSBBBSTJD-OAHLLOKOSA-N 1 2 336.439 3.866 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1C ZINC000270189320 1141190208 /nfs/dbraw/zinc/19/02/08/1141190208.db2.gz CRZDVPLMYWRLPE-CABCVRRESA-N 1 2 336.439 3.864 20 0 EHADLO CCC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270398611 1141217795 /nfs/dbraw/zinc/21/77/95/1141217795.db2.gz YZKDBUUDRBVBJF-UHFFFAOYSA-N 1 2 336.439 3.914 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000270493555 1141231816 /nfs/dbraw/zinc/23/18/16/1141231816.db2.gz RZIDODDTIXHOOA-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO CC(C)c1cc(N2CC[C@H](OCc3ccccn3)C2)nc(C(C)C)[nH+]1 ZINC000270537149 1141237346 /nfs/dbraw/zinc/23/73/46/1141237346.db2.gz WQRDYGVQRTWNTQ-KRWDZBQOSA-N 1 2 340.471 3.914 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)[nH]1 ZINC000270630781 1141247976 /nfs/dbraw/zinc/24/79/76/1141247976.db2.gz FTLRIAVOSKDRDG-JTQLQIEISA-N 1 2 332.354 3.756 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1OCC ZINC000270639857 1141249732 /nfs/dbraw/zinc/24/97/32/1141249732.db2.gz HVWDHSGULCNMMJ-CQSZACIVSA-N 1 2 346.475 3.796 20 0 EHADLO CCC[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)N1CCc2sccc2C1 ZINC000271061015 1141302688 /nfs/dbraw/zinc/30/26/88/1141302688.db2.gz CAYWSGXCXGITMS-TZMCWYRMSA-N 1 2 349.525 3.609 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271369233 1141352574 /nfs/dbraw/zinc/35/25/74/1141352574.db2.gz RACLYBLEJKYEEX-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO CC[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000271439517 1141366962 /nfs/dbraw/zinc/36/69/62/1141366962.db2.gz GEFYCFZZFKBQMW-HZPDHXFCSA-N 1 2 349.377 3.510 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 ZINC000271470441 1141375798 /nfs/dbraw/zinc/37/57/98/1141375798.db2.gz LSZHHDFMHNJEDN-BLLLJJGKSA-N 1 2 349.377 3.510 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1N(C)C ZINC000271546756 1141394068 /nfs/dbraw/zinc/39/40/68/1141394068.db2.gz ZGHKKOCLTOEEJK-BZNIZROVSA-N 1 2 338.373 3.554 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc2n1CCCCC2 ZINC000271645107 1141411574 /nfs/dbraw/zinc/41/15/74/1141411574.db2.gz DDFXQQKOQLDSFM-INIZCTEOSA-N 1 2 328.460 3.644 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c(C)s1 ZINC000274009851 1141462181 /nfs/dbraw/zinc/46/21/81/1141462181.db2.gz LSERCZBGTUAQEU-UHFFFAOYSA-N 1 2 336.482 3.777 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C[C@H]3C=CCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000274136552 1141478841 /nfs/dbraw/zinc/47/88/41/1141478841.db2.gz WIWBYWRGCMBYAU-BQFCYCMXSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H]1CO[C@H](c2noc(C[C@H]3C=CCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000274136552 1141478844 /nfs/dbraw/zinc/47/88/44/1141478844.db2.gz WIWBYWRGCMBYAU-BQFCYCMXSA-N 1 2 339.439 3.540 20 0 EHADLO Cc1cn2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)ccc2[nH+]1 ZINC000339116410 1141501788 /nfs/dbraw/zinc/50/17/88/1141501788.db2.gz OOCZLDBIERJQLL-UHFFFAOYSA-N 1 2 325.799 3.966 20 0 EHADLO Cc1nc2ccccc2n1C[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000339223784 1141533779 /nfs/dbraw/zinc/53/37/79/1141533779.db2.gz VIGAKDKQKANJIO-KRWDZBQOSA-N 1 2 347.466 3.990 20 0 EHADLO CC(C)[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccnc1 ZINC000348796301 1141580509 /nfs/dbraw/zinc/58/05/09/1141580509.db2.gz DIHXTJZLEDXISD-QINHECLXSA-N 1 2 340.471 3.899 20 0 EHADLO CN(C)C[C@H]([NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000020129439 212103885 /nfs/dbraw/zinc/10/38/85/212103885.db2.gz ONWLXOSJZFYPJQ-KRWDZBQOSA-N 1 2 333.273 3.842 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363365961 527318478 /nfs/dbraw/zinc/31/84/78/527318478.db2.gz VMTRKJYHYSCKGL-UHFFFAOYSA-N 1 2 335.411 3.612 20 0 EHADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363365961 527318485 /nfs/dbraw/zinc/31/84/85/527318485.db2.gz VMTRKJYHYSCKGL-UHFFFAOYSA-N 1 2 335.411 3.612 20 0 EHADLO CC[N@H+](C/C(Cl)=C/Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169700 606100546 /nfs/dbraw/zinc/10/05/46/606100546.db2.gz BCMVAKIYHKMIGW-AAIQCTMTSA-N 1 2 326.231 3.569 20 0 EHADLO CC[N@@H+](C/C(Cl)=C/Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169700 606100549 /nfs/dbraw/zinc/10/05/49/606100549.db2.gz BCMVAKIYHKMIGW-AAIQCTMTSA-N 1 2 326.231 3.569 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413606 606173200 /nfs/dbraw/zinc/17/32/00/606173200.db2.gz SLUKPOHNLBUDSD-NWDGAFQWSA-N 1 2 340.431 3.564 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826351414 608728927 /nfs/dbraw/zinc/72/89/27/608728927.db2.gz LTROAVGSCMUWEE-AWEZNQCLSA-N 1 2 331.832 3.529 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826351414 608728926 /nfs/dbraw/zinc/72/89/26/608728926.db2.gz LTROAVGSCMUWEE-AWEZNQCLSA-N 1 2 331.832 3.529 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2c(Cl)cccc2N2CCOCC2)n1 ZINC000449031459 1032066406 /nfs/dbraw/zinc/06/64/06/1032066406.db2.gz VLZUGCLSECAUIT-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2c(Cl)cccc2N2CCOCC2)n1 ZINC000449031459 1032066423 /nfs/dbraw/zinc/06/64/23/1032066423.db2.gz VLZUGCLSECAUIT-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000620109024 1125476482 /nfs/dbraw/zinc/47/64/82/1125476482.db2.gz QLAGITSDVMIBNZ-AWEZNQCLSA-N 1 2 342.468 3.798 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000620109024 1125476487 /nfs/dbraw/zinc/47/64/87/1125476487.db2.gz QLAGITSDVMIBNZ-AWEZNQCLSA-N 1 2 342.468 3.798 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000620148651 1125485567 /nfs/dbraw/zinc/48/55/67/1125485567.db2.gz TZZRYYAGRHDZQG-ZJUUUORDSA-N 1 2 329.322 3.731 20 0 EHADLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000459408684 1032074650 /nfs/dbraw/zinc/07/46/50/1032074650.db2.gz XUTULOULCRJNMV-UHFFFAOYSA-N 1 2 342.443 3.614 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)s1 ZINC000449036567 1032082348 /nfs/dbraw/zinc/08/23/48/1032082348.db2.gz KHSJQIOLTQIOGR-UHFFFAOYSA-N 1 2 344.459 3.877 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)s1 ZINC000449036567 1032082365 /nfs/dbraw/zinc/08/23/65/1032082365.db2.gz KHSJQIOLTQIOGR-UHFFFAOYSA-N 1 2 344.459 3.877 20 0 EHADLO CC[C@H](c1noc([C@@H](C)[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000923955024 1032083805 /nfs/dbraw/zinc/08/38/05/1032083805.db2.gz FLWUWSDSLWFOMH-MFKMUULPSA-N 1 2 338.249 3.997 20 0 EHADLO COCC[N@H+](Cc1csc(Br)c1)Cc1cccnc1 ZINC000191234958 1032085845 /nfs/dbraw/zinc/08/58/45/1032085845.db2.gz ZJQUVIBGKBCMHD-UHFFFAOYSA-N 1 2 341.274 3.554 20 0 EHADLO COCC[N@@H+](Cc1csc(Br)c1)Cc1cccnc1 ZINC000191234958 1032085859 /nfs/dbraw/zinc/08/58/59/1032085859.db2.gz ZJQUVIBGKBCMHD-UHFFFAOYSA-N 1 2 341.274 3.554 20 0 EHADLO CCn1ccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000683097158 1014291234 /nfs/dbraw/zinc/29/12/34/1014291234.db2.gz DBPTXXAIVHAMRQ-UHFFFAOYSA-N 1 2 330.382 3.604 20 0 EHADLO CCn1ccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000683097158 1014291238 /nfs/dbraw/zinc/29/12/38/1014291238.db2.gz DBPTXXAIVHAMRQ-UHFFFAOYSA-N 1 2 330.382 3.604 20 0 EHADLO Cc1cc(/C=C/C(=O)N(C)CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000274608230 1014321481 /nfs/dbraw/zinc/32/14/81/1014321481.db2.gz YOZBLPDTOBEOGD-VQHVLOKHSA-N 1 2 341.455 3.541 20 0 EHADLO CC[N@H+](CC(=O)N1CCc2ccsc2C1)Cc1ccccc1Cl ZINC000339514357 1014631540 /nfs/dbraw/zinc/63/15/40/1014631540.db2.gz ZPRXDRRUYPLBGK-UHFFFAOYSA-N 1 2 348.899 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCc2ccsc2C1)Cc1ccccc1Cl ZINC000339514357 1014631546 /nfs/dbraw/zinc/63/15/46/1014631546.db2.gz ZPRXDRRUYPLBGK-UHFFFAOYSA-N 1 2 348.899 3.808 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1cccc(O)c1Br ZINC000459436953 1032099198 /nfs/dbraw/zinc/09/91/98/1032099198.db2.gz RAZJNWNHLMRTTE-UHFFFAOYSA-N 1 2 339.233 3.557 20 0 EHADLO CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1(C(=O)[O-])CCC1 ZINC001595286520 980362758 /nfs/dbraw/zinc/36/27/58/980362758.db2.gz GEUPKAPXEHVNTG-NVXWUHKLSA-N 1 2 332.488 3.739 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)ccn12 ZINC000654951765 1014654556 /nfs/dbraw/zinc/65/45/56/1014654556.db2.gz GFBXAAPRTAHCEE-QFBILLFUSA-N 1 2 349.434 3.540 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000274729052 1014703010 /nfs/dbraw/zinc/70/30/10/1014703010.db2.gz WGPPVHVDDYICFI-CQSZACIVSA-N 1 2 346.862 3.514 20 0 EHADLO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]Cc1csnn1 ZINC000430191270 1014722678 /nfs/dbraw/zinc/72/26/78/1014722678.db2.gz FUQFBIWIFQMNFR-CYBMUJFWSA-N 1 2 338.274 3.714 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000045003333 1014735972 /nfs/dbraw/zinc/73/59/72/1014735972.db2.gz PYIOGARHRCBUHR-HNNXBMFYSA-N 1 2 343.448 3.900 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000045003333 1014735985 /nfs/dbraw/zinc/73/59/85/1014735985.db2.gz PYIOGARHRCBUHR-HNNXBMFYSA-N 1 2 343.448 3.900 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000654994712 1014757140 /nfs/dbraw/zinc/75/71/40/1014757140.db2.gz TXCGGHQHWQCINX-SNVBAGLBSA-N 1 2 337.370 3.683 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000654994712 1014757151 /nfs/dbraw/zinc/75/71/51/1014757151.db2.gz TXCGGHQHWQCINX-SNVBAGLBSA-N 1 2 337.370 3.683 20 0 EHADLO CC(C)Oc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c(Cl)c1 ZINC000655045860 1014863272 /nfs/dbraw/zinc/86/32/72/1014863272.db2.gz JDKWPJLQYKMPDP-UHFFFAOYSA-N 1 2 333.819 3.841 20 0 EHADLO O=C(NCC1CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430198991 1014856237 /nfs/dbraw/zinc/85/62/37/1014856237.db2.gz QWJHJRWXHBLTJN-UHFFFAOYSA-N 1 2 346.862 3.548 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC34CCCC4)c2C1 ZINC000430204598 1014895524 /nfs/dbraw/zinc/89/55/24/1014895524.db2.gz RTQKGSYKZLMWNO-LJQANCHMSA-N 1 2 349.478 3.675 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC34CCCC4)c2C1 ZINC000430204598 1014895538 /nfs/dbraw/zinc/89/55/38/1014895538.db2.gz RTQKGSYKZLMWNO-LJQANCHMSA-N 1 2 349.478 3.675 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2C)C1 ZINC000728194462 1014940076 /nfs/dbraw/zinc/94/00/76/1014940076.db2.gz LJSAETBFXUYUDN-JKSUJKDBSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2C)C1 ZINC000728194462 1014940084 /nfs/dbraw/zinc/94/00/84/1014940084.db2.gz LJSAETBFXUYUDN-JKSUJKDBSA-N 1 2 340.492 3.949 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CCC2)nnn1-c1ccc(Cl)cc1 ZINC000728200478 1014953021 /nfs/dbraw/zinc/95/30/21/1014953021.db2.gz XYKWQRYZPYASAR-HNNXBMFYSA-N 1 2 349.891 3.674 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CCC2)nnn1-c1ccc(Cl)cc1 ZINC000728200478 1014953028 /nfs/dbraw/zinc/95/30/28/1014953028.db2.gz XYKWQRYZPYASAR-HNNXBMFYSA-N 1 2 349.891 3.674 20 0 EHADLO CCC(CC)[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547673620 1014975031 /nfs/dbraw/zinc/97/50/31/1014975031.db2.gz JKNOZLJYTHXBHC-RHSMWYFYSA-N 1 2 346.500 3.736 20 0 EHADLO Cc1cc(C)c(Nc2ccc3c(c2)CCN3C(=O)C(F)(F)F)c[nH+]1 ZINC001213513512 1014976499 /nfs/dbraw/zinc/97/64/99/1014976499.db2.gz QVIVGBQQDYNUGO-UHFFFAOYSA-N 1 2 335.329 3.893 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCc1ccccc1 ZINC000536672550 1032107633 /nfs/dbraw/zinc/10/76/33/1032107633.db2.gz SVPVAOHUOJQREM-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCc1ccccc1 ZINC000536672550 1032107640 /nfs/dbraw/zinc/10/76/40/1032107640.db2.gz SVPVAOHUOJQREM-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC000430214587 1015020162 /nfs/dbraw/zinc/02/01/62/1015020162.db2.gz BXHNZCOVPBBDET-AWEZNQCLSA-N 1 2 339.361 3.618 20 0 EHADLO CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC000430214587 1015020172 /nfs/dbraw/zinc/02/01/72/1015020172.db2.gz BXHNZCOVPBBDET-AWEZNQCLSA-N 1 2 339.361 3.618 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H](C)[C@H]3C)cs2)c1 ZINC000339566299 1015021123 /nfs/dbraw/zinc/02/11/23/1015021123.db2.gz HNGHHNWVKOBXIC-HUUCEWRRSA-N 1 2 343.496 3.781 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C)[C@H]3C)cs2)c1 ZINC000339566299 1015021127 /nfs/dbraw/zinc/02/11/27/1015021127.db2.gz HNGHHNWVKOBXIC-HUUCEWRRSA-N 1 2 343.496 3.781 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)n1cc[nH+]c1 ZINC000579838910 1015154665 /nfs/dbraw/zinc/15/46/65/1015154665.db2.gz DTSJKXNLNBPPBA-JSGCOSHPSA-N 1 2 325.334 3.644 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000117484592 1015183958 /nfs/dbraw/zinc/18/39/58/1015183958.db2.gz LVDXLKHKGCBOIB-KRWDZBQOSA-N 1 2 326.444 3.592 20 0 EHADLO CC(C)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)on1 ZINC000070857597 1015359105 /nfs/dbraw/zinc/35/91/05/1015359105.db2.gz PXQDLPYMWZRXCP-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000655341302 1015371451 /nfs/dbraw/zinc/37/14/51/1015371451.db2.gz PZDOQBZTBBBXOH-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000339627770 1015412262 /nfs/dbraw/zinc/41/22/62/1015412262.db2.gz AUVBEBAIAXCMLK-CABCVRRESA-N 1 2 342.443 3.619 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603424 990267018 /nfs/dbraw/zinc/26/70/18/990267018.db2.gz ZNGGGSDONAKUQX-CJNGLKHVSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603424 990267025 /nfs/dbraw/zinc/26/70/25/990267025.db2.gz ZNGGGSDONAKUQX-CJNGLKHVSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000655411224 1015582899 /nfs/dbraw/zinc/58/28/99/1015582899.db2.gz HLPMVXWDGHIHBH-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO CCn1nncc1C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000459433033 1032120080 /nfs/dbraw/zinc/12/00/80/1032120080.db2.gz ZWWQDWTZVFBDLY-UHFFFAOYSA-N 1 2 344.768 3.749 20 0 EHADLO CC[C@@H](CN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000274910659 1015611402 /nfs/dbraw/zinc/61/14/02/1015611402.db2.gz JSVOQVCEHAJPRV-KRWDZBQOSA-N 1 2 348.450 3.923 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339779210 1015674189 /nfs/dbraw/zinc/67/41/89/1015674189.db2.gz KSTQYSWHLXVWMN-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000339779210 1015674192 /nfs/dbraw/zinc/67/41/92/1015674192.db2.gz KSTQYSWHLXVWMN-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000274967448 1015683027 /nfs/dbraw/zinc/68/30/27/1015683027.db2.gz XPVXSOKYCVHDPQ-JSGCOSHPSA-N 1 2 333.867 3.855 20 0 EHADLO COc1cc(C)[nH+]c(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000339839251 1015735656 /nfs/dbraw/zinc/73/56/56/1015735656.db2.gz PPAINHYEHZAXLI-LJQANCHMSA-N 1 2 326.440 3.580 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179940790 1015761627 /nfs/dbraw/zinc/76/16/27/1015761627.db2.gz YQUCEOMFAKKJKV-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179940790 1015761631 /nfs/dbraw/zinc/76/16/31/1015761631.db2.gz YQUCEOMFAKKJKV-AWEZNQCLSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1cccc2nc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cn21 ZINC000047406677 1015787750 /nfs/dbraw/zinc/78/77/50/1015787750.db2.gz ZIWLGKDGZBSYDM-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO Cc1cccc2nc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)cn21 ZINC000047406677 1015787754 /nfs/dbraw/zinc/78/77/54/1015787754.db2.gz ZIWLGKDGZBSYDM-QGZVFWFLSA-N 1 2 341.480 3.885 20 0 EHADLO COCc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)no1 ZINC000459442676 1032127129 /nfs/dbraw/zinc/12/71/29/1032127129.db2.gz MMZNAGRUEIWNAB-SNVBAGLBSA-N 1 2 330.306 3.570 20 0 EHADLO C[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)Cn1cc[nH+]c1 ZINC000076921786 1015858153 /nfs/dbraw/zinc/85/81/53/1015858153.db2.gz KGJJPGDCYZVQOL-HNNXBMFYSA-N 1 2 344.422 3.637 20 0 EHADLO CCc1nc(N2CCC[C@@H]2c2ccc(Br)cn2)cc(C)[nH+]1 ZINC000413373358 1015884636 /nfs/dbraw/zinc/88/46/36/1015884636.db2.gz KHJTZUUUMRPYFD-CQSZACIVSA-N 1 2 347.260 3.846 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(-c4ccccc4Cl)no3)cn2c1 ZINC000904566391 1032133134 /nfs/dbraw/zinc/13/31/34/1032133134.db2.gz BZRWFBMXCLPJOJ-UHFFFAOYSA-N 1 2 328.734 3.768 20 0 EHADLO Cc1cccc2c(C)cc(N3CCN(Cc4ccccc4)C(=O)C3)[nH+]c12 ZINC001167104456 1015976635 /nfs/dbraw/zinc/97/66/35/1015976635.db2.gz XZCMPSIBXTZHCX-UHFFFAOYSA-N 1 2 345.446 3.700 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000183113076 1032134754 /nfs/dbraw/zinc/13/47/54/1032134754.db2.gz BPLVOONMXRUEJF-LBPRGKRZSA-N 1 2 342.365 3.684 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)s1 ZINC000079911643 1016003472 /nfs/dbraw/zinc/00/34/72/1016003472.db2.gz BWFKKRHPKBPIDA-UHFFFAOYSA-N 1 2 344.471 3.567 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)s1 ZINC000079911643 1016003483 /nfs/dbraw/zinc/00/34/83/1016003483.db2.gz BWFKKRHPKBPIDA-UHFFFAOYSA-N 1 2 344.471 3.567 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000278722501 1032135263 /nfs/dbraw/zinc/13/52/63/1032135263.db2.gz RIBCQUYFRUKBGR-GXTWGEPZSA-N 1 2 346.397 3.550 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3[C@H](C)C[C@H]3C)cs2)c1 ZINC000547769204 1016093349 /nfs/dbraw/zinc/09/33/49/1016093349.db2.gz JYTWMQZEELRFMM-HUUCEWRRSA-N 1 2 343.496 3.924 20 0 EHADLO COC[C@@H](C)N(Cc1cccc(OC)c1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001167119246 1016111834 /nfs/dbraw/zinc/11/18/34/1016111834.db2.gz BGIHCCTTXQAUGL-OAHLLOKOSA-N 1 2 341.455 3.713 20 0 EHADLO O=C(CC1(CSc2ccccc2)CC1)NCCCCn1cc[nH+]c1 ZINC000547780582 1016139452 /nfs/dbraw/zinc/13/94/52/1016139452.db2.gz ISWPAFLAAXRXSD-UHFFFAOYSA-N 1 2 343.496 3.742 20 0 EHADLO O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533630 1016149136 /nfs/dbraw/zinc/14/91/36/1016149136.db2.gz OIIWKMOXHYKEHJ-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569932 1016176814 /nfs/dbraw/zinc/17/68/14/1016176814.db2.gz AYJRMHILGODQKY-CALCHBBNSA-N 1 2 347.503 3.806 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569932 1016176823 /nfs/dbraw/zinc/17/68/23/1016176823.db2.gz AYJRMHILGODQKY-CALCHBBNSA-N 1 2 347.503 3.806 20 0 EHADLO C[C@@H](CN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000340081648 1016224990 /nfs/dbraw/zinc/22/49/90/1016224990.db2.gz AITUISVCVZGIFM-KRWDZBQOSA-N 1 2 333.435 3.807 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182888863 1032146987 /nfs/dbraw/zinc/14/69/87/1032146987.db2.gz PEAUPZMVIMOATQ-GOSISDBHSA-N 1 2 339.439 3.552 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000278727191 1032147551 /nfs/dbraw/zinc/14/75/51/1032147551.db2.gz UBKRCKKSOSTTHA-SNVBAGLBSA-N 1 2 326.227 3.787 20 0 EHADLO Cc1cc(Cl)ncc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001209627954 1016447130 /nfs/dbraw/zinc/44/71/30/1016447130.db2.gz MCVVYGVILDBQBZ-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO c1ccc(Oc2cc(CNc3cc(N4CCCC4)nc[nH+]3)ccn2)cc1 ZINC000683385096 1016549643 /nfs/dbraw/zinc/54/96/43/1016549643.db2.gz XLWYLZFENBKITJ-UHFFFAOYSA-N 1 2 347.422 3.876 20 0 EHADLO c1ccc(Oc2cc(CNc3cc(N4CCCC4)[nH+]cn3)ccn2)cc1 ZINC000683385096 1016549653 /nfs/dbraw/zinc/54/96/53/1016549653.db2.gz XLWYLZFENBKITJ-UHFFFAOYSA-N 1 2 347.422 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cc(F)cc(F)c1 ZINC000613562858 1016579841 /nfs/dbraw/zinc/57/98/41/1016579841.db2.gz DKRSXJDPGWLOKL-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cc(F)cc(F)c1 ZINC000613562858 1016579854 /nfs/dbraw/zinc/57/98/54/1016579854.db2.gz DKRSXJDPGWLOKL-KRWDZBQOSA-N 1 2 334.341 3.880 20 0 EHADLO OC[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000182917003 1032149409 /nfs/dbraw/zinc/14/94/09/1032149409.db2.gz SZQXMNBAOMGMJQ-INIZCTEOSA-N 1 2 328.799 3.818 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199825 1016683230 /nfs/dbraw/zinc/68/32/30/1016683230.db2.gz FORGQKZPZYJYPK-HUUCEWRRSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199825 1016683237 /nfs/dbraw/zinc/68/32/37/1016683237.db2.gz FORGQKZPZYJYPK-HUUCEWRRSA-N 1 2 340.345 3.619 20 0 EHADLO Cc1ccc2c(CC[NH2+][C@H](c3nnc[nH]3)c3ccc(F)cc3)c[nH]c2c1 ZINC000340216557 1016714931 /nfs/dbraw/zinc/71/49/31/1016714931.db2.gz LKAZSTVAYAHMSQ-IBGZPJMESA-N 1 2 349.413 3.655 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000340227384 1016733265 /nfs/dbraw/zinc/73/32/65/1016733265.db2.gz CMODCLVODIVMBQ-UHFFFAOYSA-N 1 2 347.846 3.630 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793145 1016875888 /nfs/dbraw/zinc/87/58/88/1016875888.db2.gz FXJPBXDOZFQDSS-UONOGXRCSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793145 1016875902 /nfs/dbraw/zinc/87/59/02/1016875902.db2.gz FXJPBXDOZFQDSS-UONOGXRCSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793146 1016876114 /nfs/dbraw/zinc/87/61/14/1016876114.db2.gz FXJPBXDOZFQDSS-ZIAGYGMSSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793146 1016876132 /nfs/dbraw/zinc/87/61/32/1016876132.db2.gz FXJPBXDOZFQDSS-ZIAGYGMSSA-N 1 2 337.423 3.628 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2c(C)cccc2C)cc1F ZINC000181372612 1016915709 /nfs/dbraw/zinc/91/57/09/1016915709.db2.gz XOVIZPQZDJVTGI-OAHLLOKOSA-N 1 2 339.418 3.577 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@H](C)c2nccn2-c2ccccc2)c(C)[nH+]1 ZINC000376613047 1016920684 /nfs/dbraw/zinc/92/06/84/1016920684.db2.gz WZXAKRMVTPAVKA-VOIUYBSRSA-N 1 2 339.464 3.894 20 0 EHADLO CC(C)(C)CN(CC(C)(C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000376643173 1016949162 /nfs/dbraw/zinc/94/91/62/1016949162.db2.gz NAYWWLGAXQUEIN-UHFFFAOYSA-N 1 2 348.535 3.866 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cs2)cc1 ZINC000275519494 1016966304 /nfs/dbraw/zinc/96/63/04/1016966304.db2.gz UYZYXNCUVWXDRP-QGZVFWFLSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)cs2)cc1 ZINC000275519494 1016966317 /nfs/dbraw/zinc/96/63/17/1016966317.db2.gz UYZYXNCUVWXDRP-QGZVFWFLSA-N 1 2 346.496 3.623 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCOc2ccc(F)cc2F)c2ncc[nH]2)cc1 ZINC000188109376 1017017407 /nfs/dbraw/zinc/01/74/07/1017017407.db2.gz KCRAPVSGVQFUJY-QGZVFWFLSA-N 1 2 347.340 3.585 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000547837520 1017015560 /nfs/dbraw/zinc/01/55/60/1017015560.db2.gz DFPROXUCMUBAIP-UHFFFAOYSA-N 1 2 347.418 3.793 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000547837520 1017015576 /nfs/dbraw/zinc/01/55/76/1017015576.db2.gz DFPROXUCMUBAIP-UHFFFAOYSA-N 1 2 347.418 3.793 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000183022946 1032157058 /nfs/dbraw/zinc/15/70/58/1032157058.db2.gz SQGPZXPJDSCDIJ-ZJUUUORDSA-N 1 2 345.321 3.526 20 0 EHADLO CC(C)n1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000528374149 1032177648 /nfs/dbraw/zinc/17/76/48/1032177648.db2.gz MDVZFTQKXZNAAC-QGZVFWFLSA-N 1 2 346.862 3.721 20 0 EHADLO CC(C)n1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000528374149 1032177656 /nfs/dbraw/zinc/17/76/56/1032177656.db2.gz MDVZFTQKXZNAAC-QGZVFWFLSA-N 1 2 346.862 3.721 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nccn2CC(C)C)cc(Cl)c1O ZINC000459485859 1032177967 /nfs/dbraw/zinc/17/79/67/1032177967.db2.gz UMXIKVXPBSCMOW-UHFFFAOYSA-N 1 2 337.851 3.587 20 0 EHADLO CCOc1cc(-c2noc([C@H]([NH3+])C[C@@H](C)CC)n2)cc(Cl)c1O ZINC000904682325 1032179694 /nfs/dbraw/zinc/17/96/94/1032179694.db2.gz BJXVUBINQHHXCD-JOYOIKCWSA-N 1 2 339.823 3.930 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(Cl)c1 ZINC000459498688 1032196061 /nfs/dbraw/zinc/19/60/61/1032196061.db2.gz BZVGAWOMJJCSMX-OGHNNQOOSA-N 1 2 327.827 3.556 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(Cl)c1 ZINC000459498688 1032196066 /nfs/dbraw/zinc/19/60/66/1032196066.db2.gz BZVGAWOMJJCSMX-OGHNNQOOSA-N 1 2 327.827 3.556 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCc2c1cccc2-c1ccccc1 ZINC000183776945 1032206666 /nfs/dbraw/zinc/20/66/66/1032206666.db2.gz DSNJFJPGGPZDCC-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO COc1cncc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000343758841 1032222420 /nfs/dbraw/zinc/22/24/20/1032222420.db2.gz OPSFJUFWNBCJRR-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1cncc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000343758841 1032222436 /nfs/dbraw/zinc/22/24/36/1032222436.db2.gz OPSFJUFWNBCJRR-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000536745306 1032226786 /nfs/dbraw/zinc/22/67/86/1032226786.db2.gz OBLOOSYRNOQKNR-NEPJUHHUSA-N 1 2 325.250 3.651 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000536745306 1032226791 /nfs/dbraw/zinc/22/67/91/1032226791.db2.gz OBLOOSYRNOQKNR-NEPJUHHUSA-N 1 2 325.250 3.651 20 0 EHADLO Fc1ccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000080958702 1032230614 /nfs/dbraw/zinc/23/06/14/1032230614.db2.gz IOYXMQQCMDTYNP-LBPRGKRZSA-N 1 2 338.224 3.691 20 0 EHADLO CC[N@H+](Cc1cc(COC)on1)Cc1cccc(-c2ccncc2)c1 ZINC000459554891 1032271497 /nfs/dbraw/zinc/27/14/97/1032271497.db2.gz DJAWBZDCLNKDJN-UHFFFAOYSA-N 1 2 337.423 3.905 20 0 EHADLO CC[N@@H+](Cc1cc(COC)on1)Cc1cccc(-c2ccncc2)c1 ZINC000459554891 1032271511 /nfs/dbraw/zinc/27/15/11/1032271511.db2.gz DJAWBZDCLNKDJN-UHFFFAOYSA-N 1 2 337.423 3.905 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)nc2c1 ZINC000528436142 1032293714 /nfs/dbraw/zinc/29/37/14/1032293714.db2.gz KROLCLLSGIVONM-HJPURHCSSA-N 1 2 344.505 3.814 20 0 EHADLO Cn1ncc(C[N@@H+]2Cc3sccc3CC2(C)C)c1C(F)(F)F ZINC000459581677 1032303384 /nfs/dbraw/zinc/30/33/84/1032303384.db2.gz MMNQUNJOAROMHK-UHFFFAOYSA-N 1 2 329.391 3.837 20 0 EHADLO Cn1ncc(C[N@H+]2Cc3sccc3CC2(C)C)c1C(F)(F)F ZINC000459581677 1032303397 /nfs/dbraw/zinc/30/33/97/1032303397.db2.gz MMNQUNJOAROMHK-UHFFFAOYSA-N 1 2 329.391 3.837 20 0 EHADLO C[C@@H](CC(=O)NCCCNc1cccc[nH+]1)Cc1ccc(Cl)cc1 ZINC000536813643 1032314293 /nfs/dbraw/zinc/31/42/93/1032314293.db2.gz DHVVYLSTMUUSBW-OAHLLOKOSA-N 1 2 345.874 3.922 20 0 EHADLO O=c1nc(C[NH+]2CCCCCC2)[nH]c2scc(-c3ccco3)c21 ZINC000139264513 1032314896 /nfs/dbraw/zinc/31/48/96/1032314896.db2.gz OYDROEFADCMQDM-UHFFFAOYSA-N 1 2 329.425 3.621 20 0 EHADLO COc1cc2ccccc2cc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000449218717 1032337048 /nfs/dbraw/zinc/33/70/48/1032337048.db2.gz AHXAQHFCFPRYJN-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CCOC1(C)C[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459615576 1032352931 /nfs/dbraw/zinc/35/29/31/1032352931.db2.gz FOCANALFJUAYIB-UHFFFAOYSA-N 1 2 340.471 3.671 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000118781920 1032378950 /nfs/dbraw/zinc/37/89/50/1032378950.db2.gz HAWKMUITSYTIDO-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cnc(-c3ccccc3F)s2)o1 ZINC000449297306 1032415366 /nfs/dbraw/zinc/41/53/66/1032415366.db2.gz FTDNYRRLDCUTOU-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cnc(-c3ccccc3F)s2)o1 ZINC000449297306 1032415373 /nfs/dbraw/zinc/41/53/73/1032415373.db2.gz FTDNYRRLDCUTOU-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1cc2ccccc2cc1OC ZINC000449289983 1032433040 /nfs/dbraw/zinc/43/30/40/1032433040.db2.gz CPLMBTZOUUCUBP-UHFFFAOYSA-N 1 2 342.464 3.954 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1cc2ccccc2cc1OC ZINC000449289983 1032433042 /nfs/dbraw/zinc/43/30/42/1032433042.db2.gz CPLMBTZOUUCUBP-UHFFFAOYSA-N 1 2 342.464 3.954 20 0 EHADLO Cc1ccc(OC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cc1C ZINC000584413915 1032469415 /nfs/dbraw/zinc/46/94/15/1032469415.db2.gz CYNCMLWGEOPNEZ-QGZVFWFLSA-N 1 2 341.455 3.521 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)n1 ZINC000528596825 1032480447 /nfs/dbraw/zinc/48/04/47/1032480447.db2.gz VRAIBCHQLHXORB-UHFFFAOYSA-N 1 2 341.503 3.890 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)n1 ZINC000528596825 1032480454 /nfs/dbraw/zinc/48/04/54/1032480454.db2.gz VRAIBCHQLHXORB-UHFFFAOYSA-N 1 2 341.503 3.890 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000086399864 1032485611 /nfs/dbraw/zinc/48/56/11/1032485611.db2.gz ZLLAGVMFXAJMED-HNNXBMFYSA-N 1 2 326.444 3.591 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000537029237 1032492381 /nfs/dbraw/zinc/49/23/81/1032492381.db2.gz MKJNGZWMIWMPDY-LSDHHAIUSA-N 1 2 346.421 3.671 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(C)ccc2F)sc1Br ZINC000449401182 1032524420 /nfs/dbraw/zinc/52/44/20/1032524420.db2.gz LQTNBDFFLGWOOG-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO Fc1ccc(-c2noc(C[NH2+][C@@H](c3ccccn3)C3CCC3)n2)cc1 ZINC000528652931 1032537543 /nfs/dbraw/zinc/53/75/43/1032537543.db2.gz VDCXCYDIZDYFGQ-GOSISDBHSA-N 1 2 338.386 3.902 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431705 1032546920 /nfs/dbraw/zinc/54/69/20/1032546920.db2.gz ZDAXCXZJEYPCJD-LPHOPBHVSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431705 1032546927 /nfs/dbraw/zinc/54/69/27/1032546927.db2.gz ZDAXCXZJEYPCJD-LPHOPBHVSA-N 1 2 349.833 3.649 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000089996953 1032550548 /nfs/dbraw/zinc/55/05/48/1032550548.db2.gz MLMNGQOFGNEZID-RHSMWYFYSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000089996953 1032550555 /nfs/dbraw/zinc/55/05/55/1032550555.db2.gz MLMNGQOFGNEZID-RHSMWYFYSA-N 1 2 347.846 3.627 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC000449418698 1032551839 /nfs/dbraw/zinc/55/18/39/1032551839.db2.gz FATKFKDCSKCLJO-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC000449418698 1032551846 /nfs/dbraw/zinc/55/18/46/1032551846.db2.gz FATKFKDCSKCLJO-YJBOKZPZSA-N 1 2 337.797 3.779 20 0 EHADLO CC(C)c1cc(N2CCC(C(=O)N(C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000090071040 1032557702 /nfs/dbraw/zinc/55/77/02/1032557702.db2.gz JZOKAXXBJVMZGV-UHFFFAOYSA-N 1 2 346.519 3.807 20 0 EHADLO CC(C)([NH2+]Cc1ccc(Cl)cc1Cl)c1nnc2n1CCCC2 ZINC000449459724 1032575261 /nfs/dbraw/zinc/57/52/61/1032575261.db2.gz LLRIVHIGZAWFAY-UHFFFAOYSA-N 1 2 339.270 3.946 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cs1 ZINC000449438596 1032582239 /nfs/dbraw/zinc/58/22/39/1032582239.db2.gz QWNZLQNBNCPORV-CQSZACIVSA-N 1 2 330.375 3.684 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1nnnn1C1CC1 ZINC000090172583 1032577062 /nfs/dbraw/zinc/57/70/62/1032577062.db2.gz DJQBCTNUHGLAFE-OAHLLOKOSA-N 1 2 349.866 3.547 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Oc2ccccc2)cc1 ZINC000090172630 1032577103 /nfs/dbraw/zinc/57/71/03/1032577103.db2.gz GIZSUROLRPESHW-AWEZNQCLSA-N 1 2 335.411 3.651 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1F)c1cc(Br)ccc1F ZINC000090720884 1032591292 /nfs/dbraw/zinc/59/12/92/1032591292.db2.gz PTPSBIHKNZBJGU-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc(OCC3CC3)cc2)nc1 ZINC000449473120 1032594916 /nfs/dbraw/zinc/59/49/16/1032594916.db2.gz QWGBTJPUNNZGCW-UHFFFAOYSA-N 1 2 337.345 3.574 20 0 EHADLO COC(=O)c1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)ccc1Cl ZINC000602050336 1032607511 /nfs/dbraw/zinc/60/75/11/1032607511.db2.gz VCUWVKQJJCQWIH-HNNXBMFYSA-N 1 2 349.818 3.549 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602118600 1032646554 /nfs/dbraw/zinc/64/65/54/1032646554.db2.gz UIJGHBLKTCGIFL-UPJWGTAASA-N 1 2 349.422 3.557 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CCCc2sccc2C1 ZINC000592982054 1032650975 /nfs/dbraw/zinc/65/09/75/1032650975.db2.gz BDQNPSHLELOGQT-SFHVURJKSA-N 1 2 344.455 3.655 20 0 EHADLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CCCc2sccc2C1 ZINC000592982054 1032650987 /nfs/dbraw/zinc/65/09/87/1032650987.db2.gz BDQNPSHLELOGQT-SFHVURJKSA-N 1 2 344.455 3.655 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCc2sccc2C1 ZINC000592982022 1032651032 /nfs/dbraw/zinc/65/10/32/1032651032.db2.gz AJMWAQMTVQJFOD-GFCCVEGCSA-N 1 2 325.437 3.906 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCc2sccc2C1 ZINC000592982022 1032651036 /nfs/dbraw/zinc/65/10/36/1032651036.db2.gz AJMWAQMTVQJFOD-GFCCVEGCSA-N 1 2 325.437 3.906 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)c(C)c1 ZINC000606368604 1032656479 /nfs/dbraw/zinc/65/64/79/1032656479.db2.gz HQPVCPQPWXOFDD-INIZCTEOSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)c(C)c1 ZINC000606368604 1032656487 /nfs/dbraw/zinc/65/64/87/1032656487.db2.gz HQPVCPQPWXOFDD-INIZCTEOSA-N 1 2 329.469 3.850 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000602146548 1032671370 /nfs/dbraw/zinc/67/13/70/1032671370.db2.gz OZDRSLMMKAFFAU-GOSISDBHSA-N 1 2 325.456 3.659 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000606431853 1032677665 /nfs/dbraw/zinc/67/76/65/1032677665.db2.gz TVBWWROYNVULDJ-LJQANCHMSA-N 1 2 344.430 3.945 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)cs1 ZINC000593045007 1032678621 /nfs/dbraw/zinc/67/86/21/1032678621.db2.gz FMBCCHAEWSBNCG-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)cs1 ZINC000593045007 1032678631 /nfs/dbraw/zinc/67/86/31/1032678631.db2.gz FMBCCHAEWSBNCG-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO C[C@@H](OCC1CC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683454071 1017211693 /nfs/dbraw/zinc/21/16/93/1017211693.db2.gz AOTLTWZJQQPMES-CQSZACIVSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000376956014 1017220492 /nfs/dbraw/zinc/22/04/92/1017220492.db2.gz DWHHISNFOSSMSO-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO c1nnc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000683520394 1017254904 /nfs/dbraw/zinc/25/49/04/1017254904.db2.gz VLBQHQNEMFGHHK-GOSISDBHSA-N 1 2 336.464 3.557 20 0 EHADLO c1nnc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000683520394 1017254919 /nfs/dbraw/zinc/25/49/19/1017254919.db2.gz VLBQHQNEMFGHHK-GOSISDBHSA-N 1 2 336.464 3.557 20 0 EHADLO CC(C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCO2 ZINC000431837408 1017306204 /nfs/dbraw/zinc/30/62/04/1017306204.db2.gz WRDWSRFYSBUOTN-UHFFFAOYSA-N 1 2 349.390 3.517 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377100110 1017340524 /nfs/dbraw/zinc/34/05/24/1017340524.db2.gz YVSDILRKUMLDPR-MRXNPFEDSA-N 1 2 325.412 3.790 20 0 EHADLO Cc1ccc(C[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)cc1 ZINC000537394349 1032691750 /nfs/dbraw/zinc/69/17/50/1032691750.db2.gz MBRDBXYXHWQHQD-HXUWFJFHSA-N 1 2 337.467 3.660 20 0 EHADLO Cc1cc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc(C)c1F ZINC000537398258 1032693315 /nfs/dbraw/zinc/69/33/15/1032693315.db2.gz LVTPOYINTZRPLA-OAHLLOKOSA-N 1 2 329.419 3.847 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890936249 1017383941 /nfs/dbraw/zinc/38/39/41/1017383941.db2.gz KMNCLUWURYLKLF-INIZCTEOSA-N 1 2 329.444 3.648 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000613647669 1017424689 /nfs/dbraw/zinc/42/46/89/1017424689.db2.gz NMDWJCQPWTYWFT-UTBUEMAESA-N 1 2 349.478 3.708 20 0 EHADLO Fc1cc2nc(NCCCn3cc[nH+]c3)ccc2cc1Br ZINC000091424693 1032694345 /nfs/dbraw/zinc/69/43/45/1032694345.db2.gz QGJDMMNABONXBN-UHFFFAOYSA-N 1 2 349.207 3.835 20 0 EHADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528732652 1032700338 /nfs/dbraw/zinc/70/03/38/1032700338.db2.gz DEOOAMMTAYUKOP-GOSISDBHSA-N 1 2 333.382 3.638 20 0 EHADLO FC(F)n1ccnc1C[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528732652 1032700348 /nfs/dbraw/zinc/70/03/48/1032700348.db2.gz DEOOAMMTAYUKOP-GOSISDBHSA-N 1 2 333.382 3.638 20 0 EHADLO CCn1cc(C[N@H+](Cc2nc3ccc(Cl)cc3n2C)C(C)C)cn1 ZINC000651960051 1017471326 /nfs/dbraw/zinc/47/13/26/1017471326.db2.gz OHAXGIVEANVZAI-UHFFFAOYSA-N 1 2 345.878 3.854 20 0 EHADLO CCn1cc(C[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C(C)C)cn1 ZINC000651960051 1017471332 /nfs/dbraw/zinc/47/13/32/1017471332.db2.gz OHAXGIVEANVZAI-UHFFFAOYSA-N 1 2 345.878 3.854 20 0 EHADLO C[C@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)n1cc[nH+]c1 ZINC000056483764 1017518288 /nfs/dbraw/zinc/51/82/88/1017518288.db2.gz TVNFPHSSAJCBRP-MRXNPFEDSA-N 1 2 335.407 3.704 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051947 1032706516 /nfs/dbraw/zinc/70/65/16/1032706516.db2.gz PKUDRYUMCFJISP-RYUDHWBXSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051947 1032706523 /nfs/dbraw/zinc/70/65/23/1032706523.db2.gz PKUDRYUMCFJISP-RYUDHWBXSA-N 1 2 339.361 3.827 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C/c2ccccc2)[nH+]1 ZINC000066780812 1017544515 /nfs/dbraw/zinc/54/45/15/1017544515.db2.gz ZEDCYEFOYVMEKS-OUKQBFOZSA-N 1 2 325.408 3.596 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cn2nccc2-c2ccncc2)[C@@H](C)CO1 ZINC000247237536 1017580504 /nfs/dbraw/zinc/58/05/04/1017580504.db2.gz XPNVFDPWFOSHQH-LAUBAEHRSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cn2nccc2-c2ccncc2)[C@@H](C)CO1 ZINC000247237536 1017580512 /nfs/dbraw/zinc/58/05/12/1017580512.db2.gz XPNVFDPWFOSHQH-LAUBAEHRSA-N 1 2 348.450 3.673 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000020544197 1017624275 /nfs/dbraw/zinc/62/42/75/1017624275.db2.gz KTUVSRONVNLWFJ-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO C[C@H]1CCN(C(=O)NCC2(C)CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000537410218 1032712886 /nfs/dbraw/zinc/71/28/86/1032712886.db2.gz CVQZVVLNXQFJHC-IRXDYDNUSA-N 1 2 332.492 3.836 20 0 EHADLO COc1ccc([C@H](CC(C)C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796659 1017630539 /nfs/dbraw/zinc/63/05/39/1017630539.db2.gz HOVZXYTZINSZQD-DLBZAZTESA-N 1 2 344.459 3.542 20 0 EHADLO C([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000655796151 1017632823 /nfs/dbraw/zinc/63/28/23/1017632823.db2.gz GMANXHQZYXDJFR-GVDBMIGSSA-N 1 2 332.492 3.885 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000655796938 1017635980 /nfs/dbraw/zinc/63/59/80/1017635980.db2.gz KSUWODOKFGKXLL-HOTGVXAUSA-N 1 2 332.423 3.672 20 0 EHADLO Clc1ccc([C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CC2)cc1 ZINC000655797808 1017636417 /nfs/dbraw/zinc/63/64/17/1017636417.db2.gz QLXHXRHXYVDKHP-GOEBONIOSA-N 1 2 332.835 3.551 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000655799637 1017638821 /nfs/dbraw/zinc/63/88/21/1017638821.db2.gz KXIAXTMEIHEOJL-ZWNOBZJWSA-N 1 2 340.349 3.526 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)c2cc(F)ccc2O1 ZINC000655799705 1017640348 /nfs/dbraw/zinc/64/03/48/1017640348.db2.gz NMYBQSJAXXLHMF-KRWDZBQOSA-N 1 2 329.419 3.751 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2cccc(-c3cccnc3)c2)n1 ZINC000377359652 1017693925 /nfs/dbraw/zinc/69/39/25/1017693925.db2.gz MJJTUHQPKULOAD-UHFFFAOYSA-N 1 2 326.350 3.766 20 0 EHADLO Cc1ccccc1-c1ccccc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655819874 1017694464 /nfs/dbraw/zinc/69/44/64/1017694464.db2.gz VEFBUDIBUZUXBK-LJQANCHMSA-N 1 2 348.450 3.921 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000377381558 1017722496 /nfs/dbraw/zinc/72/24/96/1017722496.db2.gz IWVUNMOAHYKEDY-CLAHSXSESA-N 1 2 326.165 3.793 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ncc(Br)cn1 ZINC000340423379 1017729205 /nfs/dbraw/zinc/72/92/05/1017729205.db2.gz MKOFBCBFFIKDHW-MEBBXXQBSA-N 1 2 348.244 3.673 20 0 EHADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000340430205 1017758443 /nfs/dbraw/zinc/75/84/43/1017758443.db2.gz DCBQBGQVLUCBTO-MNOVXSKESA-N 1 2 336.233 3.660 20 0 EHADLO c1ccc2oc(C[NH+]3CCN(c4cncc5ccccc54)CC3)nc2c1 ZINC000472776361 1017872276 /nfs/dbraw/zinc/87/22/76/1017872276.db2.gz VIADHLFEAZVNAS-UHFFFAOYSA-N 1 2 344.418 3.698 20 0 EHADLO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000377585120 1018015697 /nfs/dbraw/zinc/01/56/97/1018015697.db2.gz TZEQOLQOSUAWCL-UONOGXRCSA-N 1 2 335.325 3.823 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)c(C(C)C)c1 ZINC001167322428 1018018536 /nfs/dbraw/zinc/01/85/36/1018018536.db2.gz VLIXUHZEGMYHES-VXKWHMMOSA-N 1 2 344.543 3.964 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000091931525 1032740943 /nfs/dbraw/zinc/74/09/43/1032740943.db2.gz ZBXYZNXQOSSPBD-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000091931525 1032740962 /nfs/dbraw/zinc/74/09/62/1032740962.db2.gz ZBXYZNXQOSSPBD-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CCC3)n2)c2ccccc21 ZINC000892998872 1018105869 /nfs/dbraw/zinc/10/58/69/1018105869.db2.gz QFXKOWNSLCVCGA-KRWDZBQOSA-N 1 2 336.439 3.962 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3c(F)cc(F)cc3F)c(C)n2n1 ZINC000340491927 1018108379 /nfs/dbraw/zinc/10/83/79/1018108379.db2.gz TYDNABJIPLCUBM-JTQLQIEISA-N 1 2 334.345 3.614 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377657192 1018129825 /nfs/dbraw/zinc/12/98/25/1018129825.db2.gz UFLDVAQCSJPMOV-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377657192 1018129833 /nfs/dbraw/zinc/12/98/33/1018129833.db2.gz UFLDVAQCSJPMOV-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)ccn1 ZINC000340504274 1018162431 /nfs/dbraw/zinc/16/24/31/1018162431.db2.gz FNMXWIGFOUWGPS-RKDXNWHRSA-N 1 2 331.363 3.977 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc(-c2ccccn2)s1 ZINC000340505825 1018173990 /nfs/dbraw/zinc/17/39/90/1018173990.db2.gz OPBJXIRUNZJYJJ-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[NH2+]C1(c2ccccc2)CCC1 ZINC000728707341 1018187661 /nfs/dbraw/zinc/18/76/61/1018187661.db2.gz LWMKJDQKYGOEJJ-UHFFFAOYSA-N 1 2 328.799 3.874 20 0 EHADLO CCCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000092016185 1032753208 /nfs/dbraw/zinc/75/32/08/1032753208.db2.gz OOZFHPDOBDCYHD-MRXNPFEDSA-N 1 2 345.468 3.535 20 0 EHADLO CCCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000092016185 1032753211 /nfs/dbraw/zinc/75/32/11/1032753211.db2.gz OOZFHPDOBDCYHD-MRXNPFEDSA-N 1 2 345.468 3.535 20 0 EHADLO C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(Br)cc1N ZINC001140221334 1018355277 /nfs/dbraw/zinc/35/52/77/1018355277.db2.gz SJXYLQIFBLPQRD-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(Br)cc1N ZINC001140221334 1018355287 /nfs/dbraw/zinc/35/52/87/1018355287.db2.gz SJXYLQIFBLPQRD-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C3CC3)[C@H]3CCc4ccccc43)[nH+]c12 ZINC000588366659 1018441216 /nfs/dbraw/zinc/44/12/16/1018441216.db2.gz MKNNOJCMBARTFT-FQEVSTJZSA-N 1 2 345.446 3.864 20 0 EHADLO Cc1ccccc1OCCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582622 1032767711 /nfs/dbraw/zinc/76/77/11/1032767711.db2.gz XEIWYDAWIYEJLD-UHFFFAOYSA-N 1 2 338.411 3.576 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CCCCCC1 ZINC000043517947 1018446694 /nfs/dbraw/zinc/44/66/94/1018446694.db2.gz HBAYTMAXOXIZAB-UHFFFAOYSA-N 1 2 336.505 3.973 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606583033 1032767782 /nfs/dbraw/zinc/76/77/82/1032767782.db2.gz MUTUUDNNRMEVIA-KRWDZBQOSA-N 1 2 336.395 3.712 20 0 EHADLO CC(C)(CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1F ZINC000606584010 1032769485 /nfs/dbraw/zinc/76/94/85/1032769485.db2.gz XEGFHDGZXALDIX-UHFFFAOYSA-N 1 2 326.375 3.573 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132293 1018522449 /nfs/dbraw/zinc/52/24/49/1018522449.db2.gz TUOLWQCOLQRGEJ-FUHWJXTLSA-N 1 2 343.471 3.967 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132293 1018522458 /nfs/dbraw/zinc/52/24/58/1018522458.db2.gz TUOLWQCOLQRGEJ-FUHWJXTLSA-N 1 2 343.471 3.967 20 0 EHADLO C[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(F)F ZINC001167347531 1018537159 /nfs/dbraw/zinc/53/71/59/1018537159.db2.gz SJEPYCMJRCICTH-AGUYFDCRSA-N 1 2 332.435 3.752 20 0 EHADLO C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(F)F ZINC001167347531 1018537166 /nfs/dbraw/zinc/53/71/66/1018537166.db2.gz SJEPYCMJRCICTH-AGUYFDCRSA-N 1 2 332.435 3.752 20 0 EHADLO c1[nH+]cn2c1CN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC000377981324 1018622375 /nfs/dbraw/zinc/62/23/75/1018622375.db2.gz CNPSUYSOBSWXEO-UHFFFAOYSA-N 1 2 327.391 3.514 20 0 EHADLO CC(C)c1ccsc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119249122 1032778903 /nfs/dbraw/zinc/77/89/03/1032778903.db2.gz DVWFHISYHYVNQT-CQSZACIVSA-N 1 2 331.485 3.700 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)C2CC2)o1 ZINC000052070947 1018719804 /nfs/dbraw/zinc/71/98/04/1018719804.db2.gz AGGIYIWAYLXWGV-CQSZACIVSA-N 1 2 344.480 3.760 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2C)C2CC2)o1 ZINC000052070947 1018719819 /nfs/dbraw/zinc/71/98/19/1018719819.db2.gz AGGIYIWAYLXWGV-CQSZACIVSA-N 1 2 344.480 3.760 20 0 EHADLO Cc1ccc(C2CC2)c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000580181888 1018747582 /nfs/dbraw/zinc/74/75/82/1018747582.db2.gz OARTUNLWRNZXGC-QGZVFWFLSA-N 1 2 327.428 3.704 20 0 EHADLO Cc1ccc(C2CC2)c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000580181888 1018747598 /nfs/dbraw/zinc/74/75/98/1018747598.db2.gz OARTUNLWRNZXGC-QGZVFWFLSA-N 1 2 327.428 3.704 20 0 EHADLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]Cc1nc(C)cs1 ZINC000894166304 1018830357 /nfs/dbraw/zinc/83/03/57/1018830357.db2.gz SAAXGQHNLGCAMT-UHFFFAOYSA-N 1 2 343.452 3.708 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)n1cc[nH+]c1 ZINC000576402631 1018940332 /nfs/dbraw/zinc/94/03/32/1018940332.db2.gz JEVCYTSHZBZMMJ-JTQLQIEISA-N 1 2 345.296 3.553 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048331478 1018958053 /nfs/dbraw/zinc/95/80/53/1018958053.db2.gz CNXFLQUNBDXNGB-CZUORRHYSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048331478 1018958063 /nfs/dbraw/zinc/95/80/63/1018958063.db2.gz CNXFLQUNBDXNGB-CZUORRHYSA-N 1 2 325.441 3.622 20 0 EHADLO O=C(Nc1nccc2sccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343797222 1032796797 /nfs/dbraw/zinc/79/67/97/1032796797.db2.gz LSBMLXMJXCUBQZ-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167933061 1019162057 /nfs/dbraw/zinc/16/20/57/1019162057.db2.gz AHPIODBPUNFKCK-DFGXFYAUSA-N 1 2 326.465 3.982 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167933061 1019162063 /nfs/dbraw/zinc/16/20/63/1019162063.db2.gz AHPIODBPUNFKCK-DFGXFYAUSA-N 1 2 326.465 3.982 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000729251195 1019249083 /nfs/dbraw/zinc/24/90/83/1019249083.db2.gz NUJSWCGDESELQI-NFAHFFEMSA-N 1 2 344.455 3.806 20 0 EHADLO COc1cc(C)ccc1-c1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000683924396 1019267629 /nfs/dbraw/zinc/26/76/29/1019267629.db2.gz JVHKCDJNCFUZOK-UHFFFAOYSA-N 1 2 334.379 3.601 20 0 EHADLO Cc1ncc(-c2ccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)cc2)o1 ZINC000060344207 1019285993 /nfs/dbraw/zinc/28/59/93/1019285993.db2.gz IPHUXSWMGUXYCP-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528786109 1032820462 /nfs/dbraw/zinc/82/04/62/1032820462.db2.gz ASXGVEFYVMWSGO-HNNXBMFYSA-N 1 2 342.424 3.544 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528786109 1032820472 /nfs/dbraw/zinc/82/04/72/1032820472.db2.gz ASXGVEFYVMWSGO-HNNXBMFYSA-N 1 2 342.424 3.544 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000255508829 1019300230 /nfs/dbraw/zinc/30/02/30/1019300230.db2.gz WWWLZTHHORLDKQ-UTCJRWHESA-N 1 2 349.356 3.779 20 0 EHADLO COc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000023666471 1019357916 /nfs/dbraw/zinc/35/79/16/1019357916.db2.gz QLUQUOFNZXBGQP-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000023666471 1019357933 /nfs/dbraw/zinc/35/79/33/1019357933.db2.gz QLUQUOFNZXBGQP-GFCCVEGCSA-N 1 2 334.366 3.605 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC3(CCCC3)CC1)C2 ZINC000476082180 1032828470 /nfs/dbraw/zinc/82/84/70/1032828470.db2.gz XBMCUTHOTKQUAO-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC3(CCCC3)CC1)CC2 ZINC000476082180 1032828489 /nfs/dbraw/zinc/82/84/89/1032828489.db2.gz XBMCUTHOTKQUAO-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(C)ccc1OC(F)F ZINC000092562675 1032829655 /nfs/dbraw/zinc/82/96/55/1032829655.db2.gz YGUYRJHOFLVAJK-UHFFFAOYSA-N 1 2 325.355 3.838 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(C)ccc1OC(F)F ZINC000092562675 1032829674 /nfs/dbraw/zinc/82/96/74/1032829674.db2.gz YGUYRJHOFLVAJK-UHFFFAOYSA-N 1 2 325.355 3.838 20 0 EHADLO C[C@@H](SCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000340697823 1019431531 /nfs/dbraw/zinc/43/15/31/1019431531.db2.gz SMHYWJUBSVTCHU-LLVKDONJSA-N 1 2 347.311 3.562 20 0 EHADLO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F)c1ccccc1 ZINC000513236000 1019461808 /nfs/dbraw/zinc/46/18/08/1019461808.db2.gz HKRLABIYTJOJTO-BFUOFWGJSA-N 1 2 347.409 3.524 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449573831 1032832200 /nfs/dbraw/zinc/83/22/00/1032832200.db2.gz UEHBOMFPVRTZAP-QHCPKHFHSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449573831 1032832209 /nfs/dbraw/zinc/83/22/09/1032832209.db2.gz UEHBOMFPVRTZAP-QHCPKHFHSA-N 1 2 337.529 3.989 20 0 EHADLO Cc1cc(Nc2ncnc(N)c2Cl)c[nH+]c1N1CCCC[C@H]1C ZINC000433760565 1019588657 /nfs/dbraw/zinc/58/86/57/1019588657.db2.gz WAEGPTMWOSDHSV-LLVKDONJSA-N 1 2 332.839 3.538 20 0 EHADLO Fc1cccc(F)c1C1=CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433776500 1019598312 /nfs/dbraw/zinc/59/83/12/1019598312.db2.gz DXLSHKOFPFUMNH-UHFFFAOYSA-N 1 2 342.393 3.649 20 0 EHADLO Fc1cccc(F)c1C1=CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433776500 1019598327 /nfs/dbraw/zinc/59/83/27/1019598327.db2.gz DXLSHKOFPFUMNH-UHFFFAOYSA-N 1 2 342.393 3.649 20 0 EHADLO C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309437 1032841785 /nfs/dbraw/zinc/84/17/85/1032841785.db2.gz CCBQSHLVEJSYDT-QWHCGFSZSA-N 1 2 347.488 3.586 20 0 EHADLO C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309437 1032841801 /nfs/dbraw/zinc/84/18/01/1032841801.db2.gz CCBQSHLVEJSYDT-QWHCGFSZSA-N 1 2 347.488 3.586 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433780323 1019604587 /nfs/dbraw/zinc/60/45/87/1019604587.db2.gz SUAKMYMCCOHILK-QWHCGFSZSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433780323 1019604597 /nfs/dbraw/zinc/60/45/97/1019604597.db2.gz SUAKMYMCCOHILK-QWHCGFSZSA-N 1 2 328.382 3.857 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)s1 ZINC000656250087 1019606209 /nfs/dbraw/zinc/60/62/09/1019606209.db2.gz IGNKXTVTVLXBDV-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)s1 ZINC000656250087 1019606221 /nfs/dbraw/zinc/60/62/21/1019606221.db2.gz IGNKXTVTVLXBDV-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1ccc(Br)c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000397050299 1032845838 /nfs/dbraw/zinc/84/58/38/1032845838.db2.gz QYPNKVMQICMAGW-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471598843 1019709784 /nfs/dbraw/zinc/70/97/84/1019709784.db2.gz ZATLZTAKBJSIAU-NVXWUHKLSA-N 1 2 328.460 3.832 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C\c2ccccc2F)c1C ZINC000255636531 1019737115 /nfs/dbraw/zinc/73/71/15/1019737115.db2.gz DEVZWESXVOMCMA-CLFYSBASSA-N 1 2 342.414 3.908 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(F)c1F ZINC000430032268 1019777360 /nfs/dbraw/zinc/77/73/60/1019777360.db2.gz FRIGRNHCRJQFTH-UHFFFAOYSA-N 1 2 349.331 3.778 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CCO2)c1 ZINC000092975516 1032861890 /nfs/dbraw/zinc/86/18/90/1032861890.db2.gz VNVLWHAGILBEOO-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CCO2)c1 ZINC000092975516 1032861909 /nfs/dbraw/zinc/86/19/09/1032861909.db2.gz VNVLWHAGILBEOO-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc(Cl)s2)c1C ZINC000050448457 1019927160 /nfs/dbraw/zinc/92/71/60/1019927160.db2.gz ZHIOSCUVZSMKCN-FNORWQNLSA-N 1 2 336.844 3.752 20 0 EHADLO CCCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000057933032 1019931968 /nfs/dbraw/zinc/93/19/68/1019931968.db2.gz ZMFXUOUZQKWTBN-UHFFFAOYSA-N 1 2 330.501 3.814 20 0 EHADLO CC(C)n1ncnc1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000375629556 1019943268 /nfs/dbraw/zinc/94/32/68/1019943268.db2.gz IQDURDJKHZJACU-GOSISDBHSA-N 1 2 334.414 3.921 20 0 EHADLO CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)C1CCCC1 ZINC000510340113 1019945426 /nfs/dbraw/zinc/94/54/26/1019945426.db2.gz GTXFWUZHBIDOEZ-UHFFFAOYSA-N 1 2 332.492 3.789 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1noc(Cc2ccccc2)n1 ZINC000580761806 1019991654 /nfs/dbraw/zinc/99/16/54/1019991654.db2.gz JUEWBMWLEHUNKP-RDJZCZTQSA-N 1 2 341.455 3.803 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345169913 1020005629 /nfs/dbraw/zinc/00/56/29/1020005629.db2.gz VLSJPZCCVGHWLV-KRWDZBQOSA-N 1 2 342.464 3.628 20 0 EHADLO NC(=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000050513541 1020037891 /nfs/dbraw/zinc/03/78/91/1020037891.db2.gz GWAQYECSDCQFFE-UHFFFAOYSA-N 1 2 345.761 3.971 20 0 EHADLO COc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1Oc1ccc(C)nn1 ZINC000345188134 1020039593 /nfs/dbraw/zinc/03/95/93/1020039593.db2.gz FLNIBBVQUHPGDU-UHFFFAOYSA-N 1 2 348.366 3.601 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC[C@H](C)C1 ZINC000345288066 1020127615 /nfs/dbraw/zinc/12/76/15/1020127615.db2.gz NKFPAYKNSMEKIZ-WMZOPIPTSA-N 1 2 329.488 3.583 20 0 EHADLO Cc1nc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc(C)c1CC(C)C ZINC000345307239 1020144850 /nfs/dbraw/zinc/14/48/50/1020144850.db2.gz MJEXKZGJSQUGRS-RDTXWAMCSA-N 1 2 327.476 3.576 20 0 EHADLO CC(C)Oc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000048174951 1020148262 /nfs/dbraw/zinc/14/82/62/1020148262.db2.gz UJRWKJNHFRKMJJ-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO Cc1sc2nc(C[NH2+]C3(c4ccc(F)cc4)CC3)nc(N)c2c1C ZINC000093193108 1032882249 /nfs/dbraw/zinc/88/22/49/1032882249.db2.gz FPJBQLYLMCZNNR-UHFFFAOYSA-N 1 2 342.443 3.808 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000345391275 1020201583 /nfs/dbraw/zinc/20/15/83/1020201583.db2.gz LGVADYQSAQTYOS-HNNXBMFYSA-N 1 2 335.407 3.680 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000255887988 1020207764 /nfs/dbraw/zinc/20/77/64/1020207764.db2.gz GVRCEKVIUSYENR-VLIAUNLRSA-N 1 2 342.439 3.549 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000255887988 1020207772 /nfs/dbraw/zinc/20/77/72/1020207772.db2.gz GVRCEKVIUSYENR-VLIAUNLRSA-N 1 2 342.439 3.549 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c(OC)n1 ZINC000580920364 1020233355 /nfs/dbraw/zinc/23/33/55/1020233355.db2.gz BCOMAAMVBYFCTN-UHFFFAOYSA-N 1 2 340.379 3.774 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000345483337 1020295054 /nfs/dbraw/zinc/29/50/54/1020295054.db2.gz VILIUBNYTWDKQF-RTBURBONSA-N 1 2 339.439 3.786 20 0 EHADLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000280333372 1020314125 /nfs/dbraw/zinc/31/41/25/1020314125.db2.gz HUTDWLXNOZKFIW-MRXNPFEDSA-N 1 2 345.270 3.823 20 0 EHADLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000280333372 1020314130 /nfs/dbraw/zinc/31/41/30/1020314130.db2.gz HUTDWLXNOZKFIW-MRXNPFEDSA-N 1 2 345.270 3.823 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000581039008 1020371424 /nfs/dbraw/zinc/37/14/24/1020371424.db2.gz IRNHAPDFMGTYAV-VQTJNVASSA-N 1 2 333.472 3.635 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000581039008 1020371434 /nfs/dbraw/zinc/37/14/34/1020371434.db2.gz IRNHAPDFMGTYAV-VQTJNVASSA-N 1 2 333.472 3.635 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2nccs2)C2CC2)C1 ZINC001204551040 1020408573 /nfs/dbraw/zinc/40/85/73/1020408573.db2.gz ZTTBJXQTMNIVJJ-AWEZNQCLSA-N 1 2 337.489 3.507 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2nccs2)C2CC2)C1 ZINC001204551040 1020408575 /nfs/dbraw/zinc/40/85/75/1020408575.db2.gz ZTTBJXQTMNIVJJ-AWEZNQCLSA-N 1 2 337.489 3.507 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2cc(C)nc3ccccc23)c1 ZINC000656371939 1020413850 /nfs/dbraw/zinc/41/38/50/1020413850.db2.gz OWVWFSVCKLSLKT-NRFANRHFSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2cc(C)nc3ccccc23)c1 ZINC000656371939 1020413856 /nfs/dbraw/zinc/41/38/56/1020413856.db2.gz OWVWFSVCKLSLKT-NRFANRHFSA-N 1 2 345.446 3.525 20 0 EHADLO COc1ccccc1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000345726708 1020476089 /nfs/dbraw/zinc/47/60/89/1020476089.db2.gz JZHNHCQFKUNHTQ-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2[nH]c3ccccc3c2Cl)c1C ZINC000050770531 1020481203 /nfs/dbraw/zinc/48/12/03/1020481203.db2.gz SJFGGXSTLJIGTI-UHFFFAOYSA-N 1 2 343.814 3.772 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccnn2-c2ccccc2C)cs1 ZINC000280664214 1020554421 /nfs/dbraw/zinc/55/44/21/1020554421.db2.gz BXBBPOGHGHKLAA-AWEZNQCLSA-N 1 2 342.468 3.634 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000123654025 1020616269 /nfs/dbraw/zinc/61/62/69/1020616269.db2.gz NOQKWWDLSBCAMZ-YVEFUNNKSA-N 1 2 342.830 3.741 20 0 EHADLO CCOc1cc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)ccc1O ZINC000656504692 1020761070 /nfs/dbraw/zinc/76/10/70/1020761070.db2.gz IAVWGOWOKFYEHK-UHFFFAOYSA-N 1 2 329.293 3.637 20 0 EHADLO Cc1nc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc(C2CC2)n1 ZINC000581378643 1020763250 /nfs/dbraw/zinc/76/32/50/1020763250.db2.gz PBJJRJBULUBODH-QGZVFWFLSA-N 1 2 344.846 3.557 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC(C)(C)C1 ZINC000076013416 1123454387 /nfs/dbraw/zinc/45/43/87/1123454387.db2.gz MSEWKUXJGUVCBF-LLVKDONJSA-N 1 2 325.250 3.508 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c(OC)c1 ZINC000069748843 1020799052 /nfs/dbraw/zinc/79/90/52/1020799052.db2.gz ADRXGXUAFUSUPJ-WFASDCNBSA-N 1 2 331.412 3.719 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000341036693 1020895893 /nfs/dbraw/zinc/89/58/93/1020895893.db2.gz QJXDSVYBPGJQRA-HZPDHXFCSA-N 1 2 326.444 3.592 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)cc1OCC ZINC000341068074 1020949918 /nfs/dbraw/zinc/94/99/18/1020949918.db2.gz BCHMTXRUHMKPDW-STQMWFEESA-N 1 2 333.432 3.841 20 0 EHADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)cn1 ZINC000276272500 1020986147 /nfs/dbraw/zinc/98/61/47/1020986147.db2.gz SIHZHEZXFRFNOK-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)cn1 ZINC000276272500 1020986151 /nfs/dbraw/zinc/98/61/51/1020986151.db2.gz SIHZHEZXFRFNOK-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO Fc1ccc([C@@H]2CC[C@@H]([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000276288758 1020998618 /nfs/dbraw/zinc/99/86/18/1020998618.db2.gz SRWAQGCMIFESQW-QRQLOZEOSA-N 1 2 336.414 3.959 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072976344 1021030516 /nfs/dbraw/zinc/03/05/16/1021030516.db2.gz KFVZNJVSWHDNQB-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072976344 1021030520 /nfs/dbraw/zinc/03/05/20/1021030520.db2.gz KFVZNJVSWHDNQB-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CC(C)C[C@@H](c1nc(Cc2cc(F)cc(F)c2)no1)n1cc[nH+]c1 ZINC000923822313 1032950310 /nfs/dbraw/zinc/95/03/10/1032950310.db2.gz VSOQAKVIMIFXJN-HNNXBMFYSA-N 1 2 332.354 3.771 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2sccc2c1 ZINC000760432338 1032950929 /nfs/dbraw/zinc/95/09/29/1032950929.db2.gz FMMJDGUMGAPNFI-INIZCTEOSA-N 1 2 327.453 3.943 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)on1 ZINC000656636397 1021065418 /nfs/dbraw/zinc/06/54/18/1021065418.db2.gz UPIJPSORPIMPLA-CRAIPNDOSA-N 1 2 339.439 3.927 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)on1 ZINC000656636397 1021065425 /nfs/dbraw/zinc/06/54/25/1021065425.db2.gz UPIJPSORPIMPLA-CRAIPNDOSA-N 1 2 339.439 3.927 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)c1nnc2n1CCCCC2 ZINC000276358874 1021094859 /nfs/dbraw/zinc/09/48/59/1021094859.db2.gz MQQAITXITYWKIM-WMLDXEAASA-N 1 2 344.507 3.892 20 0 EHADLO CCC(=O)c1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1 ZINC000760430219 1032954022 /nfs/dbraw/zinc/95/40/22/1032954022.db2.gz WGBNDKVWNZBLRP-UHFFFAOYSA-N 1 2 345.468 3.830 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4noc5c4CCCCC5)n3)c2)c[nH+]1 ZINC000581573560 1021099269 /nfs/dbraw/zinc/09/92/69/1021099269.db2.gz CCYIPFNCUBGWDI-UHFFFAOYSA-N 1 2 347.378 3.846 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)cc1 ZINC000341209475 1021102261 /nfs/dbraw/zinc/10/22/61/1021102261.db2.gz LQLYAWBBAZXJOI-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO O=C(CCc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341234784 1021146793 /nfs/dbraw/zinc/14/67/93/1021146793.db2.gz FGOAITSMISYEPR-UHFFFAOYSA-N 1 2 343.446 3.674 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(CCC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000581611117 1021147785 /nfs/dbraw/zinc/14/77/85/1021147785.db2.gz NUGZMZLUZYOQFE-GFCCVEGCSA-N 1 2 325.334 3.968 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341239377 1021151293 /nfs/dbraw/zinc/15/12/93/1021151293.db2.gz LKCAIDYEZKKRHZ-UHFFFAOYSA-N 1 2 345.874 3.798 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000581615616 1021153372 /nfs/dbraw/zinc/15/33/72/1021153372.db2.gz MKTCYQQTYSESTM-UHFFFAOYSA-N 1 2 339.464 3.531 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000581615616 1021153374 /nfs/dbraw/zinc/15/33/74/1021153374.db2.gz MKTCYQQTYSESTM-UHFFFAOYSA-N 1 2 339.464 3.531 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534546 1021167406 /nfs/dbraw/zinc/16/74/06/1021167406.db2.gz MQQCCQSDPAZPMM-OAHLLOKOSA-N 1 2 331.847 3.792 20 0 EHADLO O=C(C1CCC(F)(F)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244415 1021169035 /nfs/dbraw/zinc/16/90/35/1021169035.db2.gz VJMKZEWFBHQVIL-UHFFFAOYSA-N 1 2 339.430 3.727 20 0 EHADLO CC(C)c1cc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)on1 ZINC000638597492 1021220375 /nfs/dbraw/zinc/22/03/75/1021220375.db2.gz XXAVJLVLXDFGAT-UHFFFAOYSA-N 1 2 342.365 3.639 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)n[nH]1 ZINC000516255504 1021237525 /nfs/dbraw/zinc/23/75/25/1021237525.db2.gz RDZGPIXWOPYVAF-AWEZNQCLSA-N 1 2 346.862 3.545 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)n[nH]1 ZINC000516255504 1021237534 /nfs/dbraw/zinc/23/75/34/1021237534.db2.gz RDZGPIXWOPYVAF-AWEZNQCLSA-N 1 2 346.862 3.545 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1conc1Cc1ccccc1 ZINC000507387554 1021240061 /nfs/dbraw/zinc/24/00/61/1021240061.db2.gz GXDQWFZBIJFDJT-UHFFFAOYSA-N 1 2 326.396 3.507 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1conc1Cc1ccccc1 ZINC000507387554 1021240066 /nfs/dbraw/zinc/24/00/66/1021240066.db2.gz GXDQWFZBIJFDJT-UHFFFAOYSA-N 1 2 326.396 3.507 20 0 EHADLO C[C@@H](CCNC(=O)c1c(O)cc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000436836381 1021269198 /nfs/dbraw/zinc/26/91/98/1021269198.db2.gz CCWFKQUERVXWDM-NSHDSACASA-N 1 2 345.270 3.693 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cs1 ZINC000426334026 1021288234 /nfs/dbraw/zinc/28/82/34/1021288234.db2.gz WHXHBEHLJGWPES-ZDUSSCGKSA-N 1 2 341.480 3.969 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1nc(CCC(C)C)no1)Cc1ccccc1 ZINC000439262562 1021288682 /nfs/dbraw/zinc/28/86/82/1021288682.db2.gz PKLGORSEWPVCMV-HXUWFJFHSA-N 1 2 345.487 3.821 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1nc(CCC(C)C)no1)Cc1ccccc1 ZINC000439262562 1021288689 /nfs/dbraw/zinc/28/86/89/1021288689.db2.gz PKLGORSEWPVCMV-HXUWFJFHSA-N 1 2 345.487 3.821 20 0 EHADLO CC(C)n1nccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684362474 1021298101 /nfs/dbraw/zinc/29/81/01/1021298101.db2.gz IPANFSLMQNJDBJ-PHIMTYICSA-N 1 2 329.288 3.637 20 0 EHADLO CC(C)n1nccc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000684362474 1021298108 /nfs/dbraw/zinc/29/81/08/1021298108.db2.gz IPANFSLMQNJDBJ-PHIMTYICSA-N 1 2 329.288 3.637 20 0 EHADLO Cc1ccc2c(c1)CN(C(=O)Cc1cn3cccc(C)c3[nH+]1)C(C)(C)C2 ZINC000516333852 1021306934 /nfs/dbraw/zinc/30/69/34/1021306934.db2.gz OHSIBBNXAWHNFS-UHFFFAOYSA-N 1 2 347.462 3.857 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCC[C@@]2(C1)Nc1ccc(Cl)cc1C(=O)N2C ZINC000581654474 1021314998 /nfs/dbraw/zinc/31/49/98/1021314998.db2.gz VVYBRPSQIJSSMZ-KPZWWZAWSA-N 1 2 344.846 3.625 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1O ZINC000436904596 1021351626 /nfs/dbraw/zinc/35/16/26/1021351626.db2.gz XOXCYXWZYDOXHS-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1O ZINC000436904596 1021351637 /nfs/dbraw/zinc/35/16/37/1021351637.db2.gz XOXCYXWZYDOXHS-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000341300526 1021389345 /nfs/dbraw/zinc/38/93/45/1021389345.db2.gz DNXPKNUGHMMLDW-AWEZNQCLSA-N 1 2 327.453 3.684 20 0 EHADLO C[C@]1([NH2+]Cc2nc(-c3cccs3)no2)CCOc2ccccc21 ZINC000933365335 1021395613 /nfs/dbraw/zinc/39/56/13/1021395613.db2.gz WVCRRLVRHWLCNY-KRWDZBQOSA-N 1 2 327.409 3.586 20 0 EHADLO Cn1c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3c3ccco3)cc2sc1=O ZINC000449638367 1032976725 /nfs/dbraw/zinc/97/67/25/1032976725.db2.gz KJHYYIVWZMSGNJ-KRWDZBQOSA-N 1 2 340.448 3.920 20 0 EHADLO Cn1c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3c3ccco3)cc2sc1=O ZINC000449638367 1032976739 /nfs/dbraw/zinc/97/67/39/1032976739.db2.gz KJHYYIVWZMSGNJ-KRWDZBQOSA-N 1 2 340.448 3.920 20 0 EHADLO Fc1ccc(Br)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000353582023 1021409817 /nfs/dbraw/zinc/40/98/17/1021409817.db2.gz OHEHGDFXZLBWIA-UHFFFAOYSA-N 1 2 328.225 3.591 20 0 EHADLO Fc1ccc(Br)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000353582023 1021409822 /nfs/dbraw/zinc/40/98/22/1021409822.db2.gz OHEHGDFXZLBWIA-UHFFFAOYSA-N 1 2 328.225 3.591 20 0 EHADLO O=C1C[C@]2(CCC[N@@H+](Cc3ccncc3Cl)C2)Oc2ccccc21 ZINC000625800288 1021448788 /nfs/dbraw/zinc/44/87/88/1021448788.db2.gz HYLROPFTBZZVCG-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO O=C1C[C@]2(CCC[N@H+](Cc3ccncc3Cl)C2)Oc2ccccc21 ZINC000625800288 1021448795 /nfs/dbraw/zinc/44/87/95/1021448795.db2.gz HYLROPFTBZZVCG-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 ZINC000425689131 1021475129 /nfs/dbraw/zinc/47/51/29/1021475129.db2.gz AXFILYUBRKICBO-ZDUSSCGKSA-N 1 2 348.397 3.844 20 0 EHADLO CCC[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449654135 1032982442 /nfs/dbraw/zinc/98/24/42/1032982442.db2.gz DODLCUDKHDNAFA-HOTGVXAUSA-N 1 2 330.463 3.734 20 0 EHADLO COc1cccc(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000345991254 1021481752 /nfs/dbraw/zinc/48/17/52/1021481752.db2.gz LREHAAUFZGWNBT-UHFFFAOYSA-N 1 2 346.390 3.581 20 0 EHADLO Cc1cscc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000439478113 1021486396 /nfs/dbraw/zinc/48/63/96/1021486396.db2.gz NMNITCYDLJSHRG-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO CNc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000341356383 1021517328 /nfs/dbraw/zinc/51/73/28/1021517328.db2.gz FSIHBJMKTRJARU-CYBMUJFWSA-N 1 2 344.484 3.669 20 0 EHADLO CNc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000341356383 1021517334 /nfs/dbraw/zinc/51/73/34/1021517334.db2.gz FSIHBJMKTRJARU-CYBMUJFWSA-N 1 2 344.484 3.669 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCCCS3)n2)CC1 ZINC000341357128 1021518996 /nfs/dbraw/zinc/51/89/96/1021518996.db2.gz CGZVMNJIHVJDIR-AWEZNQCLSA-N 1 2 339.530 3.599 20 0 EHADLO Cc1nc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)co1 ZINC000647968215 1021535581 /nfs/dbraw/zinc/53/55/81/1021535581.db2.gz VIIQPPAPUGZFBS-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO Cc1nc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)co1 ZINC000647968215 1021535593 /nfs/dbraw/zinc/53/55/93/1021535593.db2.gz VIIQPPAPUGZFBS-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO COC(=O)c1c(Cl)c(Cl)cc(Cl)c1OCc1c[nH+]cn1C ZINC000439549527 1021535932 /nfs/dbraw/zinc/53/59/32/1021535932.db2.gz KJVYUUZZNZVVGZ-UHFFFAOYSA-N 1 2 349.601 3.746 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)s1 ZINC000573344857 1021627723 /nfs/dbraw/zinc/62/77/23/1021627723.db2.gz HTZDBWFCMQSGMN-UHFFFAOYSA-N 1 2 336.873 3.913 20 0 EHADLO Cc1nnc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)s1 ZINC000519730821 1021644827 /nfs/dbraw/zinc/64/48/27/1021644827.db2.gz YHJJYZZJPGPPMH-LBPRGKRZSA-N 1 2 329.347 3.522 20 0 EHADLO COc1cccc(C([NH2+]Cc2ocnc2C)c2cccc(OC)c2)c1 ZINC000894330005 1021647255 /nfs/dbraw/zinc/64/72/55/1021647255.db2.gz SOQBIUFXOVYKRD-UHFFFAOYSA-N 1 2 338.407 3.879 20 0 EHADLO C[C@]1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC=CCC1 ZINC000519748854 1021657974 /nfs/dbraw/zinc/65/79/74/1021657974.db2.gz YDANVQZOXGZMIC-KRWDZBQOSA-N 1 2 334.489 3.749 20 0 EHADLO CC(C)COC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000276539643 1021680992 /nfs/dbraw/zinc/68/09/92/1021680992.db2.gz IUNIYDMXBTUPFV-HNNXBMFYSA-N 1 2 329.444 3.935 20 0 EHADLO CO[C@@H](CC(C)C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414899965 1021685656 /nfs/dbraw/zinc/68/56/56/1021685656.db2.gz CRQLDWAXQKWWET-SFHVURJKSA-N 1 2 341.455 3.886 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000891472532 1021709672 /nfs/dbraw/zinc/70/96/72/1021709672.db2.gz SKNCVYBRGDKKOG-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000891472532 1021709683 /nfs/dbraw/zinc/70/96/83/1021709683.db2.gz SKNCVYBRGDKKOG-UHFFFAOYSA-N 1 2 344.459 3.708 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](c4ccc(C)cc4C)C3)ccn12 ZINC000516785121 1021727296 /nfs/dbraw/zinc/72/72/96/1021727296.db2.gz ZFLWIVKZLPSFGU-GOSISDBHSA-N 1 2 333.435 3.889 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000684422428 1021775900 /nfs/dbraw/zinc/77/59/00/1021775900.db2.gz IKVFGXDAKIDVLA-UHFFFAOYSA-N 1 2 326.444 3.736 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(Br)cn1 ZINC000684423686 1021783228 /nfs/dbraw/zinc/78/32/28/1021783228.db2.gz BEYSNGGKVQZRPG-SECBINFHSA-N 1 2 338.274 3.640 20 0 EHADLO COC1CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000891535701 1021862581 /nfs/dbraw/zinc/86/25/81/1021862581.db2.gz FIWIMXZJFUYHNM-UHFFFAOYSA-N 1 2 341.224 3.680 20 0 EHADLO CCOC(=O)c1c(C2CC2)csc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516972714 1021904602 /nfs/dbraw/zinc/90/46/02/1021904602.db2.gz HVZVMTDQNVHVPP-NSHDSACASA-N 1 2 347.440 3.589 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C2CC2)cc1OC ZINC000891554727 1021918647 /nfs/dbraw/zinc/91/86/47/1021918647.db2.gz MIJFFTOSLOWHNL-MRXNPFEDSA-N 1 2 327.428 3.572 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C2CC2)cc1OC ZINC000891554727 1021918654 /nfs/dbraw/zinc/91/86/54/1021918654.db2.gz MIJFFTOSLOWHNL-MRXNPFEDSA-N 1 2 327.428 3.572 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(C)C3)n2)C1 ZINC000437544341 1021945597 /nfs/dbraw/zinc/94/55/97/1021945597.db2.gz FHKPLHKWHINPOF-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(C)C3)n2)C1 ZINC000437544341 1021945608 /nfs/dbraw/zinc/94/56/08/1021945608.db2.gz FHKPLHKWHINPOF-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1(Cc2ccccc2)CC1 ZINC000437547387 1021948737 /nfs/dbraw/zinc/94/87/37/1021948737.db2.gz MSNCVAWNBVOYNY-UHFFFAOYSA-N 1 2 331.419 3.511 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc3c1OCOC3)C2 ZINC000441082574 1021964071 /nfs/dbraw/zinc/96/40/71/1021964071.db2.gz ADFKFMPVDGWGNK-UHFFFAOYSA-N 1 2 343.398 3.649 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc3c1OCOC3)C2 ZINC000441082574 1021964077 /nfs/dbraw/zinc/96/40/77/1021964077.db2.gz ADFKFMPVDGWGNK-UHFFFAOYSA-N 1 2 343.398 3.649 20 0 EHADLO CCCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000440137946 1021966205 /nfs/dbraw/zinc/96/62/05/1021966205.db2.gz UGXGYQGPRVYFDP-FUHWJXTLSA-N 1 2 325.456 3.835 20 0 EHADLO COC(=O)c1coc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1 ZINC000341515065 1022033819 /nfs/dbraw/zinc/03/38/19/1022033819.db2.gz UQORSYHCMGSVBI-QGZVFWFLSA-N 1 2 331.437 3.665 20 0 EHADLO COC(=O)c1coc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1 ZINC000341515065 1022033840 /nfs/dbraw/zinc/03/38/40/1022033840.db2.gz UQORSYHCMGSVBI-QGZVFWFLSA-N 1 2 331.437 3.665 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548281885 1022038437 /nfs/dbraw/zinc/03/84/37/1022038437.db2.gz XJVOQZNKKOKJCK-IAGOWNOFSA-N 1 2 340.471 3.675 20 0 EHADLO CCCCCc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000517119544 1022044712 /nfs/dbraw/zinc/04/47/12/1022044712.db2.gz ZKZSRJRVHXRRAO-IAGOWNOFSA-N 1 2 347.503 3.650 20 0 EHADLO C[C@@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000506108450 1022072174 /nfs/dbraw/zinc/07/21/74/1022072174.db2.gz UTCRJDRGZSIOIK-JOCHJYFZSA-N 1 2 345.446 3.913 20 0 EHADLO Cc1csc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1Cl ZINC000276667417 1022098861 /nfs/dbraw/zinc/09/88/61/1022098861.db2.gz RAPRAQNLZRCLRC-SNVBAGLBSA-N 1 2 327.837 3.542 20 0 EHADLO Cc1csc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1Cl ZINC000276667417 1022098874 /nfs/dbraw/zinc/09/88/74/1022098874.db2.gz RAPRAQNLZRCLRC-SNVBAGLBSA-N 1 2 327.837 3.542 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(Cl)cc2Cl)no1 ZINC000441278397 1022124208 /nfs/dbraw/zinc/12/42/08/1022124208.db2.gz PQVGVODXNCLKQL-UHFFFAOYSA-N 1 2 344.242 3.843 20 0 EHADLO O=C(Nc1ccc2c(c1)CCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000517219393 1022141120 /nfs/dbraw/zinc/14/11/20/1022141120.db2.gz NRNHASLVTWPBFE-LJQANCHMSA-N 1 2 337.423 3.646 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000290986127 1022151007 /nfs/dbraw/zinc/15/10/07/1022151007.db2.gz KDWOUYJBPSVNAE-LJQANCHMSA-N 1 2 338.455 3.730 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000073645059 1022151543 /nfs/dbraw/zinc/15/15/43/1022151543.db2.gz BRIXXERBGJPCGK-LAUBAEHRSA-N 1 2 348.446 3.972 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000083019073 1022152056 /nfs/dbraw/zinc/15/20/56/1022152056.db2.gz CCLKTTCHDNUVST-GJZGRUSLSA-N 1 2 348.878 3.760 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000437830380 1022169102 /nfs/dbraw/zinc/16/91/02/1022169102.db2.gz XMYPSXXDWHEKLL-DOTOQJQBSA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000437830380 1022169105 /nfs/dbraw/zinc/16/91/05/1022169105.db2.gz XMYPSXXDWHEKLL-DOTOQJQBSA-N 1 2 329.444 3.620 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000520389944 1022199635 /nfs/dbraw/zinc/19/96/35/1022199635.db2.gz ZFKQKPOCGXVWCT-GXTWGEPZSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000520389944 1022199639 /nfs/dbraw/zinc/19/96/39/1022199639.db2.gz ZFKQKPOCGXVWCT-GXTWGEPZSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306292 1022215497 /nfs/dbraw/zinc/21/54/97/1022215497.db2.gz CSHGSPHCEOLYOZ-VNQPRFMTSA-N 1 2 329.469 3.584 20 0 EHADLO Cc1cc2nc(Cl)nc(N(C(N)=[NH2+])c3ccc(F)cc3)c2s1 ZINC001167990313 1022260482 /nfs/dbraw/zinc/26/04/82/1022260482.db2.gz QPBAAIVXUCVJFF-UHFFFAOYSA-N 1 2 335.795 3.824 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccccc3F)C(C)C)[nH+]c12 ZINC000617993524 1022260744 /nfs/dbraw/zinc/26/07/44/1022260744.db2.gz SUCWUDKIMGEITG-IBGZPJMESA-N 1 2 339.414 3.838 20 0 EHADLO CC(C)(C)c1coc(C[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000894428017 1022272072 /nfs/dbraw/zinc/27/20/72/1022272072.db2.gz KPOAWUXQCXTGKQ-UHFFFAOYSA-N 1 2 331.435 3.824 20 0 EHADLO CC(C)(C)c1coc(C[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000894428017 1022272084 /nfs/dbraw/zinc/27/20/84/1022272084.db2.gz KPOAWUXQCXTGKQ-UHFFFAOYSA-N 1 2 331.435 3.824 20 0 EHADLO CC(C)c1c[nH]c(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000894430992 1022272989 /nfs/dbraw/zinc/27/29/89/1022272989.db2.gz IKEIWAHCSMSUAA-UHFFFAOYSA-N 1 2 349.482 3.531 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)[nH]c1C ZINC000628134331 1022276855 /nfs/dbraw/zinc/27/68/55/1022276855.db2.gz MDCHXACQTOCDIV-OAHLLOKOSA-N 1 2 332.879 3.559 20 0 EHADLO CCC[N@H+](CC(=O)OC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000471805748 1022296922 /nfs/dbraw/zinc/29/69/22/1022296922.db2.gz SPDJWXZASQMNIK-UHFFFAOYSA-N 1 2 327.424 3.747 20 0 EHADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000471805748 1022296935 /nfs/dbraw/zinc/29/69/35/1022296935.db2.gz SPDJWXZASQMNIK-UHFFFAOYSA-N 1 2 327.424 3.747 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000519549828 1022363665 /nfs/dbraw/zinc/36/36/65/1022363665.db2.gz LMWNAKXOALBRKA-SFHVURJKSA-N 1 2 335.407 3.629 20 0 EHADLO Cc1[nH]c(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000628135716 1022377725 /nfs/dbraw/zinc/37/77/25/1022377725.db2.gz GIQHTNSLTWRCCZ-UHFFFAOYSA-N 1 2 331.847 3.775 20 0 EHADLO O=C(/C=C/SCc1ccco1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000084969256 1022389699 /nfs/dbraw/zinc/38/96/99/1022389699.db2.gz XRGTYMZCFNIXPH-UXBLZVDNSA-N 1 2 325.393 3.851 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000581920927 1022396407 /nfs/dbraw/zinc/39/64/07/1022396407.db2.gz DNEPXKGXVQTBKA-SFHVURJKSA-N 1 2 349.438 3.603 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000581920927 1022396416 /nfs/dbraw/zinc/39/64/16/1022396416.db2.gz DNEPXKGXVQTBKA-SFHVURJKSA-N 1 2 349.438 3.603 20 0 EHADLO c1cc(C2CC2)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000664820339 1022398196 /nfs/dbraw/zinc/39/81/96/1022398196.db2.gz PGGKKNWAWCTZIL-IAGOWNOFSA-N 1 2 325.412 3.540 20 0 EHADLO c1cc(C2CC2)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000664820339 1022398212 /nfs/dbraw/zinc/39/82/12/1022398212.db2.gz PGGKKNWAWCTZIL-IAGOWNOFSA-N 1 2 325.412 3.540 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827684 1022486371 /nfs/dbraw/zinc/48/63/71/1022486371.db2.gz CDYMGPPWKUNFGR-KONPQCLYSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827684 1022486379 /nfs/dbraw/zinc/48/63/79/1022486379.db2.gz CDYMGPPWKUNFGR-KONPQCLYSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827681 1022486943 /nfs/dbraw/zinc/48/69/43/1022486943.db2.gz CDYMGPPWKUNFGR-HPFXQQBRSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827681 1022486954 /nfs/dbraw/zinc/48/69/54/1022486954.db2.gz CDYMGPPWKUNFGR-HPFXQQBRSA-N 1 2 329.488 3.643 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234616 1022502486 /nfs/dbraw/zinc/50/24/86/1022502486.db2.gz GYQMMIJMYNFNPK-ZDUSSCGKSA-N 1 2 346.393 3.852 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234616 1022502499 /nfs/dbraw/zinc/50/24/99/1022502499.db2.gz GYQMMIJMYNFNPK-ZDUSSCGKSA-N 1 2 346.393 3.852 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(F)(F)C(F)F ZINC000176002468 1022509923 /nfs/dbraw/zinc/50/99/23/1022509923.db2.gz CQLIAGYGWIGTDT-UHFFFAOYSA-N 1 2 341.308 3.725 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H](C)[S@@]1=O ZINC000602661102 1033059600 /nfs/dbraw/zinc/05/96/00/1033059600.db2.gz IXSXDHJVNZOCGV-OFERSUALSA-N 1 2 333.419 3.523 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H](C)[S@@]1=O ZINC000602661102 1033059611 /nfs/dbraw/zinc/05/96/11/1033059611.db2.gz IXSXDHJVNZOCGV-OFERSUALSA-N 1 2 333.419 3.523 20 0 EHADLO CC[C@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C(C)C ZINC000517629059 1022520841 /nfs/dbraw/zinc/52/08/41/1022520841.db2.gz YNHPSFRMMDIVJA-QGZVFWFLSA-N 1 2 343.471 3.794 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H](C)[S@]1=O ZINC000602661101 1033060283 /nfs/dbraw/zinc/06/02/83/1033060283.db2.gz IXSXDHJVNZOCGV-AVKZDSLQSA-N 1 2 333.419 3.523 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H](C)[S@]1=O ZINC000602661101 1033060297 /nfs/dbraw/zinc/06/02/97/1033060297.db2.gz IXSXDHJVNZOCGV-AVKZDSLQSA-N 1 2 333.419 3.523 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000438302080 1022542004 /nfs/dbraw/zinc/54/20/04/1022542004.db2.gz HGBSYGLJVYYVKD-KXBFYZLASA-N 1 2 329.415 3.612 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000438302079 1022543421 /nfs/dbraw/zinc/54/34/21/1022543421.db2.gz HGBSYGLJVYYVKD-HNAYVOBHSA-N 1 2 329.415 3.612 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000438335003 1022574173 /nfs/dbraw/zinc/57/41/73/1022574173.db2.gz NRUWHSZMYVFEFH-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000438335003 1022574189 /nfs/dbraw/zinc/57/41/89/1022574189.db2.gz NRUWHSZMYVFEFH-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@H]1c1ccncc1 ZINC000664832255 1022574511 /nfs/dbraw/zinc/57/45/11/1022574511.db2.gz DWQOPEGGXBOUHY-NRFANRHFSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@H]1c1ccncc1 ZINC000664832255 1022574522 /nfs/dbraw/zinc/57/45/22/1022574522.db2.gz DWQOPEGGXBOUHY-NRFANRHFSA-N 1 2 349.478 3.656 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000330423706 1022585533 /nfs/dbraw/zinc/58/55/33/1022585533.db2.gz GWSRQXZDKHWNIZ-CBAPKCEASA-N 1 2 347.410 3.634 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC[C@@H](O)Cc3ccc(F)cc3)cc2)c1C ZINC000517733927 1022605777 /nfs/dbraw/zinc/60/57/77/1022605777.db2.gz HQSCBAPCVJLJQI-FQEVSTJZSA-N 1 2 339.414 3.644 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc(Cl)c1O ZINC000517745288 1022631702 /nfs/dbraw/zinc/63/17/02/1022631702.db2.gz XVKNORYVXXKHGV-GFCCVEGCSA-N 1 2 325.836 3.588 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc(Cl)c1O ZINC000517745288 1022631705 /nfs/dbraw/zinc/63/17/05/1022631705.db2.gz XVKNORYVXXKHGV-GFCCVEGCSA-N 1 2 325.836 3.588 20 0 EHADLO COc1cccc(C[NH+]2CCN([C@@H](C)c3cccc(OC)c3)CC2)c1 ZINC000517783285 1022654261 /nfs/dbraw/zinc/65/42/61/1022654261.db2.gz ZRNWTXOJJJGDAO-KRWDZBQOSA-N 1 2 340.467 3.583 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000345984119 1022663796 /nfs/dbraw/zinc/66/37/96/1022663796.db2.gz CPXPDMLOZVUHHG-APIJFGDWSA-N 1 2 343.393 3.661 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000293047218 1022703305 /nfs/dbraw/zinc/70/33/05/1022703305.db2.gz SVKNUGKYODROME-GHMZBOCLSA-N 1 2 331.420 3.583 20 0 EHADLO CC(C)[C@H]1C[C@@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011174 1022707966 /nfs/dbraw/zinc/70/79/66/1022707966.db2.gz NXDNGUWZCMMQHX-BGTYHANMSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@H]1C[C@@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011174 1022707980 /nfs/dbraw/zinc/70/79/80/1022707980.db2.gz NXDNGUWZCMMQHX-BGTYHANMSA-N 1 2 341.455 3.791 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000341635470 1022719847 /nfs/dbraw/zinc/71/98/47/1022719847.db2.gz CIZVJVSVPBUVBN-HIFPTAJRSA-N 1 2 327.494 3.662 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000341635470 1022719855 /nfs/dbraw/zinc/71/98/55/1022719855.db2.gz CIZVJVSVPBUVBN-HIFPTAJRSA-N 1 2 327.494 3.662 20 0 EHADLO COCc1ccccc1/C=C(/C)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000510625740 1022783844 /nfs/dbraw/zinc/78/38/44/1022783844.db2.gz YNIBHSBHHVYFGM-QINSGFPZSA-N 1 2 341.455 3.987 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nccc(C)n2)ccc1OC1CCCC1 ZINC000341646628 1022788552 /nfs/dbraw/zinc/78/85/52/1022788552.db2.gz VTFQWIHGNRRGAH-OAHLLOKOSA-N 1 2 341.455 3.966 20 0 EHADLO CCCCc1nc(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000441444878 1022831247 /nfs/dbraw/zinc/83/12/47/1022831247.db2.gz XPDJQYBBTXEXGN-JCYILVPMSA-N 1 2 335.492 3.972 20 0 EHADLO CCCCc1nc(C[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)no1 ZINC000441444878 1022831277 /nfs/dbraw/zinc/83/12/77/1022831277.db2.gz XPDJQYBBTXEXGN-JCYILVPMSA-N 1 2 335.492 3.972 20 0 EHADLO CCOC(=O)c1ncc(C[NH+]2CC(c3ccc(Cl)cc3)C2)s1 ZINC000894742936 1022840590 /nfs/dbraw/zinc/84/05/90/1022840590.db2.gz NHJLCQJEAGTGEK-UHFFFAOYSA-N 1 2 336.844 3.573 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438627516 1022871699 /nfs/dbraw/zinc/87/16/99/1022871699.db2.gz BBQMKKMYEGDKHD-SFHVURJKSA-N 1 2 342.414 3.719 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438627516 1022871709 /nfs/dbraw/zinc/87/17/09/1022871709.db2.gz BBQMKKMYEGDKHD-SFHVURJKSA-N 1 2 342.414 3.719 20 0 EHADLO FC(F)COc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC000473834899 1022901241 /nfs/dbraw/zinc/90/12/41/1022901241.db2.gz INROVVMLPJDHNV-UHFFFAOYSA-N 1 2 345.349 3.670 20 0 EHADLO CCCc1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)co1 ZINC000346012524 1022917339 /nfs/dbraw/zinc/91/73/39/1022917339.db2.gz JNQTXHYXSXVACR-UHFFFAOYSA-N 1 2 335.367 3.589 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476259861 1033096872 /nfs/dbraw/zinc/09/68/72/1033096872.db2.gz VCPNQTHPEDLJNK-JQFCIGGWSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476259861 1033096882 /nfs/dbraw/zinc/09/68/82/1033096882.db2.gz VCPNQTHPEDLJNK-JQFCIGGWSA-N 1 2 336.426 3.653 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000426145293 1022988353 /nfs/dbraw/zinc/98/83/53/1022988353.db2.gz JECBCMFUORJKGP-FJVVXJACSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000426145293 1022988364 /nfs/dbraw/zinc/98/83/64/1022988364.db2.gz JECBCMFUORJKGP-FJVVXJACSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000426145292 1022988963 /nfs/dbraw/zinc/98/89/63/1022988963.db2.gz JECBCMFUORJKGP-FEAKQIBJSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000426145292 1022988966 /nfs/dbraw/zinc/98/89/66/1022988966.db2.gz JECBCMFUORJKGP-FEAKQIBJSA-N 1 2 346.272 3.860 20 0 EHADLO COCc1ccc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000506907687 1022989720 /nfs/dbraw/zinc/98/97/20/1022989720.db2.gz CUVOMGLPACIADL-HNNXBMFYSA-N 1 2 348.874 3.958 20 0 EHADLO COCc1ccc(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000506907687 1022989732 /nfs/dbraw/zinc/98/97/32/1022989732.db2.gz CUVOMGLPACIADL-HNNXBMFYSA-N 1 2 348.874 3.958 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000510722479 1022997227 /nfs/dbraw/zinc/99/72/27/1022997227.db2.gz XFIQBTMSTLHPLK-ZHALLVOQSA-N 1 2 337.467 3.648 20 0 EHADLO COc1cccc2c(NCc3cc(F)cc4c3OCOC4)cc[nH+]c12 ZINC000189326598 1023002885 /nfs/dbraw/zinc/00/28/85/1023002885.db2.gz NYCCDVKMMAJWIR-UHFFFAOYSA-N 1 2 340.354 3.861 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000506362078 1023010624 /nfs/dbraw/zinc/01/06/24/1023010624.db2.gz JSHWHTSKZNDDGY-KKUMJFAQSA-N 1 2 338.442 3.728 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000506362078 1023010639 /nfs/dbraw/zinc/01/06/39/1023010639.db2.gz JSHWHTSKZNDDGY-KKUMJFAQSA-N 1 2 338.442 3.728 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476259860 1033095385 /nfs/dbraw/zinc/09/53/85/1033095385.db2.gz VCPNQTHPEDLJNK-COXVUDFISA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476259860 1033095402 /nfs/dbraw/zinc/09/54/02/1033095402.db2.gz VCPNQTHPEDLJNK-COXVUDFISA-N 1 2 336.426 3.653 20 0 EHADLO CCCc1cc(Nc2ccc([NH+]3CCCC3)cc2C)n2ncnc2n1 ZINC000507083763 1023121644 /nfs/dbraw/zinc/12/16/44/1023121644.db2.gz HXVLSBPHGOHDHX-UHFFFAOYSA-N 1 2 336.443 3.729 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1F ZINC000507083090 1023124351 /nfs/dbraw/zinc/12/43/51/1023124351.db2.gz UHJRYLVQKREPMG-UHFFFAOYSA-N 1 2 341.361 3.836 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1F ZINC000507083090 1023124359 /nfs/dbraw/zinc/12/43/59/1023124359.db2.gz UHJRYLVQKREPMG-UHFFFAOYSA-N 1 2 341.361 3.836 20 0 EHADLO Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]Cc1ncccn1 ZINC000518218221 1023125125 /nfs/dbraw/zinc/12/51/25/1023125125.db2.gz CNWXTWZIVRGEFT-CYBMUJFWSA-N 1 2 338.636 3.670 20 0 EHADLO C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000253546777 1023127500 /nfs/dbraw/zinc/12/75/00/1023127500.db2.gz WJZIUGAAEZRICQ-OWCLPIDISA-N 1 2 326.444 3.763 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@]3(C)CCCc4ccccc43)ccn12 ZINC001266919974 1023137037 /nfs/dbraw/zinc/13/70/37/1023137037.db2.gz GPYPYWDYEIUNFS-NRFANRHFSA-N 1 2 333.435 3.667 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000438946781 1023164273 /nfs/dbraw/zinc/16/42/73/1023164273.db2.gz KSXORQJFHWATSG-PZJWPPBQSA-N 1 2 329.403 3.715 20 0 EHADLO Cn1nc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000644907178 1023171186 /nfs/dbraw/zinc/17/11/86/1023171186.db2.gz RNGZXNFTUQXZDW-RTBURBONSA-N 1 2 341.842 3.535 20 0 EHADLO Cn1nc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000644907178 1023171197 /nfs/dbraw/zinc/17/11/97/1023171197.db2.gz RNGZXNFTUQXZDW-RTBURBONSA-N 1 2 341.842 3.535 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000427024884 1023175350 /nfs/dbraw/zinc/17/53/50/1023175350.db2.gz YMYGINOGHSISQP-UHFFFAOYSA-N 1 2 331.412 3.659 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000427024884 1023175356 /nfs/dbraw/zinc/17/53/56/1023175356.db2.gz YMYGINOGHSISQP-UHFFFAOYSA-N 1 2 331.412 3.659 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000506458673 1023199451 /nfs/dbraw/zinc/19/94/51/1023199451.db2.gz DIPORXKNGONANB-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000506458673 1023199454 /nfs/dbraw/zinc/19/94/54/1023199454.db2.gz DIPORXKNGONANB-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)cs1 ZINC000439010235 1023206461 /nfs/dbraw/zinc/20/64/61/1023206461.db2.gz ZOKQGTWKMSRKOH-LLVKDONJSA-N 1 2 333.457 3.523 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccsc3C)CC2)cc1 ZINC000507247169 1023211612 /nfs/dbraw/zinc/21/16/12/1023211612.db2.gz MLHRINUCRZGEDT-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001143412644 1023233010 /nfs/dbraw/zinc/23/30/10/1023233010.db2.gz DCWMOKIRFVUGII-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001143412644 1023233019 /nfs/dbraw/zinc/23/30/19/1023233019.db2.gz DCWMOKIRFVUGII-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC(C)(C)C1 ZINC000469428736 1023233368 /nfs/dbraw/zinc/23/33/68/1023233368.db2.gz UXQBWRNUHVPBQE-NUJGCVRESA-N 1 2 330.472 3.914 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000341751508 1023248909 /nfs/dbraw/zinc/24/89/09/1023248909.db2.gz RDBLLJCRPARRAG-UHFFFAOYSA-N 1 2 349.312 3.927 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)oc1C ZINC000431101523 1023256346 /nfs/dbraw/zinc/25/63/46/1023256346.db2.gz OXRDDRTVZPXKNV-WDEREUQCSA-N 1 2 335.375 3.934 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCC2CCC2)c(C)c1 ZINC000441499297 1023296479 /nfs/dbraw/zinc/29/64/79/1023296479.db2.gz NYPDQFNEAVJROG-LJQANCHMSA-N 1 2 325.456 3.938 20 0 EHADLO Fc1cc(Br)ccc1[C@H]([NH2+]Cc1cocn1)C1CC1 ZINC000684556422 1023307596 /nfs/dbraw/zinc/30/75/96/1023307596.db2.gz SUWYZISFFFOEOW-CQSZACIVSA-N 1 2 325.181 3.817 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(C(C)(C)C)c3O)[nH+]c12 ZINC000548480200 1023454289 /nfs/dbraw/zinc/45/42/89/1023454289.db2.gz WDXCPCTUEJDRIW-UHFFFAOYSA-N 1 2 337.423 3.827 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093178289 1023458820 /nfs/dbraw/zinc/45/88/20/1023458820.db2.gz SQNXDHJLAMOOJN-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093178289 1023458827 /nfs/dbraw/zinc/45/88/27/1023458827.db2.gz SQNXDHJLAMOOJN-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC000535774551 1023624092 /nfs/dbraw/zinc/62/40/92/1023624092.db2.gz OCWLWNDANHNDDX-CYBMUJFWSA-N 1 2 332.473 3.673 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000341896437 1023669812 /nfs/dbraw/zinc/66/98/12/1023669812.db2.gz NSMUEXLZPRJATC-HNNXBMFYSA-N 1 2 334.423 3.750 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000341896437 1023669816 /nfs/dbraw/zinc/66/98/16/1023669816.db2.gz NSMUEXLZPRJATC-HNNXBMFYSA-N 1 2 334.423 3.750 20 0 EHADLO CCCc1nc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)cs1 ZINC000277065832 1023732587 /nfs/dbraw/zinc/73/25/87/1023732587.db2.gz DJTQNAOEJOQEOY-MRXNPFEDSA-N 1 2 342.468 3.861 20 0 EHADLO O=C(N[C@H]1CCCC2(CC2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897774971 1033159689 /nfs/dbraw/zinc/15/96/89/1033159689.db2.gz WUCMRLUXEAMBKQ-SFHVURJKSA-N 1 2 344.503 3.808 20 0 EHADLO C[C@@H]([NH2+]CCC[C@H](C)O)C(F)(F)c1ccc(Br)cc1 ZINC000926314636 1023844249 /nfs/dbraw/zinc/84/42/49/1023844249.db2.gz MMVNBEFNXUYCQV-WDEREUQCSA-N 1 2 336.220 3.680 20 0 EHADLO C[C@H](O)CCC[NH2+][C@@H](C)C(F)(F)c1ccc(Br)cc1 ZINC000926314634 1023844744 /nfs/dbraw/zinc/84/47/44/1023844744.db2.gz MMVNBEFNXUYCQV-QWRGUYRKSA-N 1 2 336.220 3.680 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](c3ccccn3)C3CCC3)ccc2[nH+]1 ZINC000528961634 1033167972 /nfs/dbraw/zinc/16/79/72/1033167972.db2.gz QECAOWDDSQJAEJ-GOSISDBHSA-N 1 2 335.411 3.701 20 0 EHADLO O=C(/C=C\Sc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000728420015 1023951897 /nfs/dbraw/zinc/95/18/97/1023951897.db2.gz VQGIRALMPOQFTK-QPEQYQDCSA-N 1 2 344.505 3.698 20 0 EHADLO COCc1c(C)cc(C)c(C[N@@H+]2CCc3cc(Cl)nnc3C2)c1C ZINC000895075292 1023952259 /nfs/dbraw/zinc/95/22/59/1023952259.db2.gz AVMVIBNUESNNAO-UHFFFAOYSA-N 1 2 345.874 3.760 20 0 EHADLO COCc1c(C)cc(C)c(C[N@H+]2CCc3cc(Cl)nnc3C2)c1C ZINC000895075292 1023952267 /nfs/dbraw/zinc/95/22/67/1023952267.db2.gz AVMVIBNUESNNAO-UHFFFAOYSA-N 1 2 345.874 3.760 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000190777061 1023969077 /nfs/dbraw/zinc/96/90/77/1023969077.db2.gz VLJUWEZVBXCLPY-HOTGVXAUSA-N 1 2 347.503 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1F ZINC000150995888 1024011662 /nfs/dbraw/zinc/01/16/62/1024011662.db2.gz NIGCDPJGBYKRFF-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1F ZINC000150995888 1024011680 /nfs/dbraw/zinc/01/16/80/1024011680.db2.gz NIGCDPJGBYKRFF-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO Cc1oc2ccccc2c1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000353592561 1024015884 /nfs/dbraw/zinc/01/58/84/1024015884.db2.gz RJRKWTWYDWEHQH-UHFFFAOYSA-N 1 2 344.418 3.880 20 0 EHADLO Cc1oc2ccccc2c1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000353592561 1024015899 /nfs/dbraw/zinc/01/58/99/1024015899.db2.gz RJRKWTWYDWEHQH-UHFFFAOYSA-N 1 2 344.418 3.880 20 0 EHADLO CCCCSCCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513993923 1024022903 /nfs/dbraw/zinc/02/29/03/1024022903.db2.gz HJEACJABSXPYCQ-INIZCTEOSA-N 1 2 340.920 3.736 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000513999634 1024040967 /nfs/dbraw/zinc/04/09/67/1024040967.db2.gz OJXDPMISSYJUTP-SCLBCKFNSA-N 1 2 346.833 3.756 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OC ZINC000434476510 1024068155 /nfs/dbraw/zinc/06/81/55/1024068155.db2.gz JITNPVQRORZDCY-OAHLLOKOSA-N 1 2 346.475 3.897 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3ccc(-n4cccc4)cc3)ccc2[nH+]1 ZINC000522248813 1024103491 /nfs/dbraw/zinc/10/34/91/1024103491.db2.gz ZUTFUAIZMHNHFJ-UHFFFAOYSA-N 1 2 330.391 3.615 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H]1C1CCCC1)C2 ZINC000475028275 1024105805 /nfs/dbraw/zinc/10/58/05/1024105805.db2.gz ABGAOGNWJXNMPP-YJBOKZPZSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]1C1CCCC1)CC2 ZINC000475028275 1024105809 /nfs/dbraw/zinc/10/58/09/1024105809.db2.gz ABGAOGNWJXNMPP-YJBOKZPZSA-N 1 2 329.488 3.819 20 0 EHADLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H](C)c1cscn1 ZINC000895253874 1024129583 /nfs/dbraw/zinc/12/95/83/1024129583.db2.gz LGCCZXDWWYFHMW-GFCCVEGCSA-N 1 2 343.452 3.960 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000514119047 1024163473 /nfs/dbraw/zinc/16/34/73/1024163473.db2.gz QIXFQBXNMIVIDA-TZMCWYRMSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000514119047 1024163481 /nfs/dbraw/zinc/16/34/81/1024163481.db2.gz QIXFQBXNMIVIDA-TZMCWYRMSA-N 1 2 337.769 3.626 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)sc21 ZINC000342141357 1024227662 /nfs/dbraw/zinc/22/76/62/1024227662.db2.gz PJRNBYCGJBQLHE-INIZCTEOSA-N 1 2 338.432 3.898 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)cc1C ZINC000329915028 1024249608 /nfs/dbraw/zinc/24/96/08/1024249608.db2.gz PLLKTDFYQOJDRE-RVKKMQEKSA-N 1 2 341.455 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)o2)cc1C ZINC000329915028 1024249621 /nfs/dbraw/zinc/24/96/21/1024249621.db2.gz PLLKTDFYQOJDRE-RVKKMQEKSA-N 1 2 341.455 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)cc1 ZINC000329952278 1024262858 /nfs/dbraw/zinc/26/28/58/1024262858.db2.gz MTSMQPZCMSRGAC-ZQIUZPCESA-N 1 2 327.428 3.605 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)o2)cc1 ZINC000329952278 1024262872 /nfs/dbraw/zinc/26/28/72/1024262872.db2.gz MTSMQPZCMSRGAC-ZQIUZPCESA-N 1 2 327.428 3.605 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000840082899 1024275538 /nfs/dbraw/zinc/27/55/38/1024275538.db2.gz IMUUEFIYYFZBMS-GFCCVEGCSA-N 1 2 326.227 3.535 20 0 EHADLO COC[C@H]1CC[N@H+]1Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000840082899 1024275549 /nfs/dbraw/zinc/27/55/49/1024275549.db2.gz IMUUEFIYYFZBMS-GFCCVEGCSA-N 1 2 326.227 3.535 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCCCc2ccccc2)c1C ZINC000053079302 1024280783 /nfs/dbraw/zinc/28/07/83/1024280783.db2.gz LOIVSJWARCKWFW-UHFFFAOYSA-N 1 2 340.467 3.972 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCCCc2ccccc2)c1C ZINC000053079302 1024280796 /nfs/dbraw/zinc/28/07/96/1024280796.db2.gz LOIVSJWARCKWFW-UHFFFAOYSA-N 1 2 340.467 3.972 20 0 EHADLO C[C@H](CCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505477021 1024320438 /nfs/dbraw/zinc/32/04/38/1024320438.db2.gz QHZPJGDWCHVYDO-UZLBHIALSA-N 1 2 340.442 3.883 20 0 EHADLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(F)cc1 ZINC000051533076 1024327992 /nfs/dbraw/zinc/32/79/92/1024327992.db2.gz QPGDEKWEMCQRMO-UHFFFAOYSA-N 1 2 345.399 3.613 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(F)cc1 ZINC000051533076 1024328007 /nfs/dbraw/zinc/32/80/07/1024328007.db2.gz QPGDEKWEMCQRMO-UHFFFAOYSA-N 1 2 345.399 3.613 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149642 1024335715 /nfs/dbraw/zinc/33/57/15/1024335715.db2.gz WWHNVXXJFXRNKK-XLIONFOSSA-N 1 2 347.462 3.988 20 0 EHADLO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000548540020 1024344772 /nfs/dbraw/zinc/34/47/72/1024344772.db2.gz PGSZGYIAZGGQIZ-SJORKVTESA-N 1 2 327.428 3.735 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)oc21 ZINC000505491221 1024345444 /nfs/dbraw/zinc/34/54/44/1024345444.db2.gz MFMKYUCYUCYYES-QGZVFWFLSA-N 1 2 338.382 3.667 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CC[NH2+]1 ZINC000505498153 1024353732 /nfs/dbraw/zinc/35/37/32/1024353732.db2.gz IDSKJFRPRLCOQB-FUHWJXTLSA-N 1 2 344.499 3.775 20 0 EHADLO c1ccc(NC2CCN(c3cc(C4CC4)nc(C4CC4)n3)CC2)[nH+]c1 ZINC000895350826 1024364166 /nfs/dbraw/zinc/36/41/66/1024364166.db2.gz FZFNAAKKPUBPEC-UHFFFAOYSA-N 1 2 335.455 3.707 20 0 EHADLO c1ccc(NC2CCN(c3ncnc4[nH]c5ccccc5c43)CC2)[nH+]c1 ZINC000895350910 1024364782 /nfs/dbraw/zinc/36/47/82/1024364782.db2.gz VLMAGWNWRNXCIV-UHFFFAOYSA-N 1 2 344.422 3.587 20 0 EHADLO Fc1ccc(/C=C/C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1F ZINC000520659011 1024373286 /nfs/dbraw/zinc/37/32/86/1024373286.db2.gz OFFITSKCLYIRSJ-ONEGZZNKSA-N 1 2 345.324 3.957 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1Cl ZINC000151668279 1024374336 /nfs/dbraw/zinc/37/43/36/1024374336.db2.gz BWPNCENLBZMVCD-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO Cc1csc2nc(C)nc(N3CCC(Nc4cccc[nH+]4)CC3)c12 ZINC000895355658 1024374978 /nfs/dbraw/zinc/37/49/78/1024374978.db2.gz ZXGAAFMTKNCTMR-UHFFFAOYSA-N 1 2 339.468 3.784 20 0 EHADLO Clc1ccc2c(c1)ncnc2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895356184 1024381426 /nfs/dbraw/zinc/38/14/26/1024381426.db2.gz UBBPIYHHMCICGF-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(-c2cccc(OC)c2)no1 ZINC000897842747 1033207240 /nfs/dbraw/zinc/20/72/40/1033207240.db2.gz YDUGMYLWMOZNGJ-UHFFFAOYSA-N 1 2 346.818 3.579 20 0 EHADLO CC(=O)N1CCC[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443672339 1024397654 /nfs/dbraw/zinc/39/76/54/1024397654.db2.gz FPBRSMCFFVBZKM-MRXNPFEDSA-N 1 2 327.255 3.535 20 0 EHADLO CC(=O)N1CCC[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443672339 1024397671 /nfs/dbraw/zinc/39/76/71/1024397671.db2.gz FPBRSMCFFVBZKM-MRXNPFEDSA-N 1 2 327.255 3.535 20 0 EHADLO CCOC(=O)COc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000414854893 1024435617 /nfs/dbraw/zinc/43/56/17/1024435617.db2.gz VIMRYECTDBXFPK-UHFFFAOYSA-N 1 2 340.423 3.599 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505530952 1024439950 /nfs/dbraw/zinc/43/99/50/1024439950.db2.gz WVYJGCXCOHLBJE-KPUAHBEZSA-N 1 2 342.389 3.541 20 0 EHADLO CC[C@@H](CSC)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228497 1024463331 /nfs/dbraw/zinc/46/33/31/1024463331.db2.gz KGZBNQYNCLAECJ-JKSUJKDBSA-N 1 2 331.485 3.532 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000614657455 1024465883 /nfs/dbraw/zinc/46/58/83/1024465883.db2.gz MKJGAHUZFSDLQB-MSOLQXFVSA-N 1 2 339.483 4.000 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2N(C)C)[nH]1 ZINC000277288710 1024467407 /nfs/dbraw/zinc/46/74/07/1024467407.db2.gz RAINMADVNSETCK-XQQFMLRXSA-N 1 2 333.455 3.935 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC(F)F)CC1CCC1 ZINC000425222769 1024467601 /nfs/dbraw/zinc/46/76/01/1024467601.db2.gz HIPLGTXQTPXMCY-MRXNPFEDSA-N 1 2 347.409 3.826 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505130 1024476451 /nfs/dbraw/zinc/47/64/51/1024476451.db2.gz QRWRGIKMNHVPBO-KGLIPLIRSA-N 1 2 329.893 3.980 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505130 1024476459 /nfs/dbraw/zinc/47/64/59/1024476459.db2.gz QRWRGIKMNHVPBO-KGLIPLIRSA-N 1 2 329.893 3.980 20 0 EHADLO COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(C(C)(C)C)s1)C2 ZINC000895416040 1024487148 /nfs/dbraw/zinc/48/71/48/1024487148.db2.gz WMUXXKRGRAVKSA-UHFFFAOYSA-N 1 2 331.485 3.540 20 0 EHADLO COCc1ncc2c(n1)CC[N@H+](Cc1ccc(C(C)(C)C)s1)C2 ZINC000895416040 1024487163 /nfs/dbraw/zinc/48/71/63/1024487163.db2.gz WMUXXKRGRAVKSA-UHFFFAOYSA-N 1 2 331.485 3.540 20 0 EHADLO C[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC(C)(C)C1 ZINC000425244605 1024501986 /nfs/dbraw/zinc/50/19/86/1024501986.db2.gz SEMTWLMINCLWMW-WBVHZDCISA-N 1 2 325.456 3.826 20 0 EHADLO CN(C)c1nc(N[C@@H](c2cnn(C)c2)C(C)(C)C)[nH+]c2ccccc21 ZINC000425243579 1024507570 /nfs/dbraw/zinc/50/75/70/1024507570.db2.gz UFEOJLVXQWCROG-INIZCTEOSA-N 1 2 338.459 3.629 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccns2)ccc1OCC(F)(F)F ZINC000895453000 1024510853 /nfs/dbraw/zinc/51/08/53/1024510853.db2.gz AODPBTMTHOAKFS-UHFFFAOYSA-N 1 2 346.374 3.725 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccns2)ccc1OCC(F)(F)F ZINC000895453000 1024510856 /nfs/dbraw/zinc/51/08/56/1024510856.db2.gz AODPBTMTHOAKFS-UHFFFAOYSA-N 1 2 346.374 3.725 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(N3CCCC3)nc2)n1-c1ccccc1 ZINC000327210159 1024537010 /nfs/dbraw/zinc/53/70/10/1024537010.db2.gz FWUICKABIPLHEP-UHFFFAOYSA-N 1 2 333.439 3.788 20 0 EHADLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434985390 1024540864 /nfs/dbraw/zinc/54/08/64/1024540864.db2.gz IKUWOVKBIZAXGA-CYBMUJFWSA-N 1 2 344.402 3.851 20 0 EHADLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434985390 1024540873 /nfs/dbraw/zinc/54/08/73/1024540873.db2.gz IKUWOVKBIZAXGA-CYBMUJFWSA-N 1 2 344.402 3.851 20 0 EHADLO Cc1ccccc1-c1nsc(NCc2nc(C[NH+](C)C)cs2)n1 ZINC000895478831 1024552854 /nfs/dbraw/zinc/55/28/54/1024552854.db2.gz DECACZGKUAXECX-UHFFFAOYSA-N 1 2 345.497 3.644 20 0 EHADLO O=C(Nc1cccnc1C(F)(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000346260238 1024583023 /nfs/dbraw/zinc/58/30/23/1024583023.db2.gz SMZCQBVTXUFMDO-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO CCc1cnc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000435056143 1024586004 /nfs/dbraw/zinc/58/60/04/1024586004.db2.gz LYYQYMJAMBCVOO-UHFFFAOYSA-N 1 2 332.444 3.940 20 0 EHADLO C[C@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1c[nH]c2ccccc21 ZINC000346282841 1024601365 /nfs/dbraw/zinc/60/13/65/1024601365.db2.gz RUNIAIZOADHTIM-CQSZACIVSA-N 1 2 332.407 3.626 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346287430 1024605546 /nfs/dbraw/zinc/60/55/46/1024605546.db2.gz AXNBVEAVJGPGGF-JOCHJYFZSA-N 1 2 347.462 3.624 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346287430 1024605554 /nfs/dbraw/zinc/60/55/54/1024605554.db2.gz AXNBVEAVJGPGGF-JOCHJYFZSA-N 1 2 347.462 3.624 20 0 EHADLO COCCOc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)o1 ZINC000895558614 1024609756 /nfs/dbraw/zinc/60/97/56/1024609756.db2.gz LCQJZUSHINWDHA-UHFFFAOYSA-N 1 2 346.452 3.939 20 0 EHADLO O=C(COc1ccsc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000505615319 1024650129 /nfs/dbraw/zinc/65/01/29/1024650129.db2.gz SWNLCLGRKFJIPO-UHFFFAOYSA-N 1 2 333.800 3.605 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c[nH+]1 ZINC000895608663 1024656222 /nfs/dbraw/zinc/65/62/22/1024656222.db2.gz RQZIWAPIRPLUOK-UHFFFAOYSA-N 1 2 342.443 3.550 20 0 EHADLO CC1(C)CCC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000614673364 1024657861 /nfs/dbraw/zinc/65/78/61/1024657861.db2.gz HMMPJDJRCSCHNJ-UHFFFAOYSA-N 1 2 349.544 3.824 20 0 EHADLO C[NH+](C)[C@@H](CN[C@@H](c1ccc(F)cc1)c1ccccn1)c1ccco1 ZINC000346437643 1024733574 /nfs/dbraw/zinc/73/35/74/1024733574.db2.gz GWEQPPQQSZENPI-ICSRJNTNSA-N 1 2 339.414 3.796 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000507863088 1024736024 /nfs/dbraw/zinc/73/60/24/1024736024.db2.gz VVGUYYOUYNQPJV-SFHVURJKSA-N 1 2 343.398 3.958 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000507863088 1024736034 /nfs/dbraw/zinc/73/60/34/1024736034.db2.gz VVGUYYOUYNQPJV-SFHVURJKSA-N 1 2 343.398 3.958 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc(-c3ccccc3C)cs2)c[nH+]1 ZINC000895707086 1024744010 /nfs/dbraw/zinc/74/40/10/1024744010.db2.gz ISJOIEFHGWNBOO-UHFFFAOYSA-N 1 2 340.452 3.997 20 0 EHADLO Cc1cccc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342295186 1024744295 /nfs/dbraw/zinc/74/42/95/1024744295.db2.gz IPXAPZMHHNUFJE-IBGZPJMESA-N 1 2 333.435 3.599 20 0 EHADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425320144 1024757360 /nfs/dbraw/zinc/75/73/60/1024757360.db2.gz WYYZSZZKHGQONG-MBOZVWFJSA-N 1 2 325.456 3.873 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3ncncc3C2)ccc1Oc1cccnc1 ZINC000895723074 1024767486 /nfs/dbraw/zinc/76/74/86/1024767486.db2.gz QASKGPMQTYWXAF-UHFFFAOYSA-N 1 2 332.407 3.531 20 0 EHADLO Cc1cc(C[N@H+]2CCc3ncncc3C2)ccc1Oc1cccnc1 ZINC000895723074 1024767494 /nfs/dbraw/zinc/76/74/94/1024767494.db2.gz QASKGPMQTYWXAF-UHFFFAOYSA-N 1 2 332.407 3.531 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000474331074 1024767701 /nfs/dbraw/zinc/76/77/01/1024767701.db2.gz PMABBCKWZIQNAD-IWQZZHSRSA-N 1 2 344.455 3.635 20 0 EHADLO CC(C)(C)OC(=O)C1CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000507922974 1024778565 /nfs/dbraw/zinc/77/85/65/1024778565.db2.gz RZBHDAMRUZFWOK-UHFFFAOYSA-N 1 2 345.487 3.994 20 0 EHADLO COCCN(Cc1c[nH+]cn1C(C)C)Cc1ccc(F)cc1Cl ZINC000425339493 1024787075 /nfs/dbraw/zinc/78/70/75/1024787075.db2.gz SLQWZQIXLSDNCB-UHFFFAOYSA-N 1 2 339.842 3.905 20 0 EHADLO CCc1cccnc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000346499740 1024811135 /nfs/dbraw/zinc/81/11/35/1024811135.db2.gz CKPFWOJGSUDARD-LJQANCHMSA-N 1 2 348.450 3.629 20 0 EHADLO COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000346542564 1024840975 /nfs/dbraw/zinc/84/09/75/1024840975.db2.gz IGGGBMDWPOWFSQ-AWEZNQCLSA-N 1 2 338.411 3.842 20 0 EHADLO Cc1c2occ(CC(=O)NCCCCn3cc[nH+]c3)c2ccc1Cl ZINC000895827646 1024863137 /nfs/dbraw/zinc/86/31/37/1024863137.db2.gz NRXAOPREDFASQH-UHFFFAOYSA-N 1 2 345.830 3.730 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000431324971 1024866807 /nfs/dbraw/zinc/86/68/07/1024866807.db2.gz YXSWRJOCJXQAHD-UHFFFAOYSA-N 1 2 328.347 3.513 20 0 EHADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346564017 1024867105 /nfs/dbraw/zinc/86/71/05/1024867105.db2.gz PSHDIEJWOAXXEO-IBGZPJMESA-N 1 2 342.393 3.589 20 0 EHADLO CC(C)(C)c1ncc(C=CC(=O)NNc2cc[nH+]cc2Cl)s1 ZINC000135886642 1033242622 /nfs/dbraw/zinc/24/26/22/1033242622.db2.gz OOEACGAMUSPUIB-SNAWJCMRSA-N 1 2 336.848 3.646 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Cc4ccccc4)[C@H]3C)ccn12 ZINC000514950306 1024926228 /nfs/dbraw/zinc/92/62/28/1024926228.db2.gz NIQPUAIPJBFDLZ-AEFFLSMTSA-N 1 2 333.435 3.736 20 0 EHADLO C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342337610 1024960575 /nfs/dbraw/zinc/96/05/75/1024960575.db2.gz ZULMYIUAOZCPJT-CYBMUJFWSA-N 1 2 341.361 3.984 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000607643871 1033249059 /nfs/dbraw/zinc/24/90/59/1033249059.db2.gz JUJAHHSCQBJMIV-ZIFCJYIRSA-N 1 2 344.499 3.727 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccc3c(c2)COC3)c2cnccn2)cc1 ZINC000346632870 1024972060 /nfs/dbraw/zinc/97/20/60/1024972060.db2.gz HUHIARYRYWGYGS-FQEVSTJZSA-N 1 2 335.382 3.525 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000157622137 1024981581 /nfs/dbraw/zinc/98/15/81/1024981581.db2.gz OQMVBWGXDZEPSN-KRWDZBQOSA-N 1 2 347.484 3.514 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000157622137 1024981588 /nfs/dbraw/zinc/98/15/88/1024981588.db2.gz OQMVBWGXDZEPSN-KRWDZBQOSA-N 1 2 347.484 3.514 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)n1 ZINC000897945030 1033254061 /nfs/dbraw/zinc/25/40/61/1033254061.db2.gz WRMNYVGMQMKWGB-UHFFFAOYSA-N 1 2 330.428 3.907 20 0 EHADLO C[C@H](CC(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000563221003 1025009983 /nfs/dbraw/zinc/00/99/83/1025009983.db2.gz YIEPUPZFXJAXDI-KBAYOESNSA-N 1 2 341.455 3.539 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395200 1025020352 /nfs/dbraw/zinc/02/03/52/1025020352.db2.gz MZEKZVHEVCKHEG-HZPDHXFCSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395200 1025020361 /nfs/dbraw/zinc/02/03/61/1025020361.db2.gz MZEKZVHEVCKHEG-HZPDHXFCSA-N 1 2 330.255 3.792 20 0 EHADLO CC(C)OC[C@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000353200315 1025047061 /nfs/dbraw/zinc/04/70/61/1025047061.db2.gz IVYVGAPMAVBOMI-CYBMUJFWSA-N 1 2 332.271 3.744 20 0 EHADLO CC(C)OC[C@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000353200315 1025047074 /nfs/dbraw/zinc/04/70/74/1025047074.db2.gz IVYVGAPMAVBOMI-CYBMUJFWSA-N 1 2 332.271 3.744 20 0 EHADLO Cc1cnc([C@@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000428230862 1025066255 /nfs/dbraw/zinc/06/62/55/1025066255.db2.gz TUKGQKACHBGHSP-HZPDHXFCSA-N 1 2 344.890 3.878 20 0 EHADLO CC(C)(C)Oc1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000346737561 1025072736 /nfs/dbraw/zinc/07/27/36/1025072736.db2.gz FCKIORSYEHBLRU-UHFFFAOYSA-N 1 2 346.406 3.632 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000515224313 1025106784 /nfs/dbraw/zinc/10/67/84/1025106784.db2.gz RWBBXVQMGRZFAK-UHFFFAOYSA-N 1 2 347.484 3.622 20 0 EHADLO Cc1cc2occ(-c3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)c2cc1C ZINC000346799887 1025122370 /nfs/dbraw/zinc/12/23/70/1025122370.db2.gz OUNCSKHEILUIOO-QGZVFWFLSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1cc2occ(-c3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)c2cc1C ZINC000346799887 1025122374 /nfs/dbraw/zinc/12/23/74/1025122374.db2.gz OUNCSKHEILUIOO-QGZVFWFLSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000428240304 1025123328 /nfs/dbraw/zinc/12/33/28/1025123328.db2.gz PAPVHQGWZWBGDB-UHFFFAOYSA-N 1 2 335.398 3.707 20 0 EHADLO CC1(C)CC[C@@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)OC1 ZINC000896086708 1025129527 /nfs/dbraw/zinc/12/95/27/1025129527.db2.gz IBLQCLHQGLZFER-INIZCTEOSA-N 1 2 338.411 3.670 20 0 EHADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520970516 1025144883 /nfs/dbraw/zinc/14/48/83/1025144883.db2.gz NGCIWIGOBYOZBB-GFCCVEGCSA-N 1 2 334.872 3.845 20 0 EHADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000520970516 1025144889 /nfs/dbraw/zinc/14/48/89/1025144889.db2.gz NGCIWIGOBYOZBB-GFCCVEGCSA-N 1 2 334.872 3.845 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCN2CCc3ccccc32)cs1 ZINC000428241192 1025146760 /nfs/dbraw/zinc/14/67/60/1025146760.db2.gz DFCVCSRELRAPOK-OAHLLOKOSA-N 1 2 345.512 3.735 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCN2CCc3ccccc32)cs1 ZINC000428241192 1025146767 /nfs/dbraw/zinc/14/67/67/1025146767.db2.gz DFCVCSRELRAPOK-OAHLLOKOSA-N 1 2 345.512 3.735 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)C(C)C ZINC000119666660 1025150591 /nfs/dbraw/zinc/15/05/91/1025150591.db2.gz YFUUMVSFAPNAAX-OAQYLSRUSA-N 1 2 339.483 3.654 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)CC(C)(C)C ZINC000474580593 1025161786 /nfs/dbraw/zinc/16/17/86/1025161786.db2.gz YLQVZBUTGTWAPP-UHFFFAOYSA-N 1 2 337.414 3.954 20 0 EHADLO CC(C)c1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000896163324 1025191042 /nfs/dbraw/zinc/19/10/42/1025191042.db2.gz LLOONJTVSDFXSM-WMLDXEAASA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000896163324 1025191046 /nfs/dbraw/zinc/19/10/46/1025191046.db2.gz LLOONJTVSDFXSM-WMLDXEAASA-N 1 2 327.428 3.786 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(C)c1 ZINC000190965295 1025199718 /nfs/dbraw/zinc/19/97/18/1025199718.db2.gz BHQBIZUXVVZBKH-UHFFFAOYSA-N 1 2 344.499 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(C)c1 ZINC000190965295 1025199724 /nfs/dbraw/zinc/19/97/24/1025199724.db2.gz BHQBIZUXVVZBKH-UHFFFAOYSA-N 1 2 344.499 3.974 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)no2)cc1 ZINC000521119786 1025211358 /nfs/dbraw/zinc/21/13/58/1025211358.db2.gz XXNUTMWEDCIMLP-OAQYLSRUSA-N 1 2 347.418 3.706 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)no2)cc1 ZINC000521119786 1025211371 /nfs/dbraw/zinc/21/13/71/1025211371.db2.gz XXNUTMWEDCIMLP-OAQYLSRUSA-N 1 2 347.418 3.706 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C(C)C)c(C)c1 ZINC000442229124 1025213210 /nfs/dbraw/zinc/21/32/10/1025213210.db2.gz ABFMRBOHCVLUNC-IEBWSBKVSA-N 1 2 342.487 3.927 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC(C)C)CC2)c(F)c1 ZINC000054326775 1025213885 /nfs/dbraw/zinc/21/38/85/1025213885.db2.gz PUVFPLKMGVUQHP-OAHLLOKOSA-N 1 2 336.451 3.598 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccnc2cc(F)cnc21)c1c(F)cccc1F ZINC000342407924 1025232185 /nfs/dbraw/zinc/23/21/85/1025232185.db2.gz MWYZWOPPNAEAJA-INIZCTEOSA-N 1 2 346.356 3.762 20 0 EHADLO Oc1cccc(/C=C\c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000435955577 1025238592 /nfs/dbraw/zinc/23/85/92/1025238592.db2.gz QEYRSQZVLQUPIM-FPLPWBNLSA-N 1 2 330.347 3.798 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H](c2ccccc2)C1 ZINC000521203366 1025263423 /nfs/dbraw/zinc/26/34/23/1025263423.db2.gz SQUZJFCLFZCJSU-LJQANCHMSA-N 1 2 346.434 3.571 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OC)ccc1F ZINC000191912976 1025265007 /nfs/dbraw/zinc/26/50/07/1025265007.db2.gz PDYIMQYSOXONTQ-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)no1 ZINC000896239021 1025280064 /nfs/dbraw/zinc/28/00/64/1025280064.db2.gz ZQPNCBQIESFEES-JTQLQIEISA-N 1 2 329.297 3.525 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)no1 ZINC000896239021 1025280077 /nfs/dbraw/zinc/28/00/77/1025280077.db2.gz ZQPNCBQIESFEES-JTQLQIEISA-N 1 2 329.297 3.525 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000346920275 1025295710 /nfs/dbraw/zinc/29/57/10/1025295710.db2.gz QPUYTBFMEISYFB-QZTJIDSGSA-N 1 2 349.519 3.525 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000611577245 1025326079 /nfs/dbraw/zinc/32/60/79/1025326079.db2.gz SXRDKJONIAMNMA-CQSZACIVSA-N 1 2 345.361 3.545 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000611577245 1025326088 /nfs/dbraw/zinc/32/60/88/1025326088.db2.gz SXRDKJONIAMNMA-CQSZACIVSA-N 1 2 345.361 3.545 20 0 EHADLO C[C@H](C(=O)N(Cc1ccsc1)c1ccccc1)[NH+]1CCSCC1 ZINC000442462736 1025328396 /nfs/dbraw/zinc/32/83/96/1025328396.db2.gz YRYMHDXXQBTNGP-OAHLLOKOSA-N 1 2 346.521 3.719 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCSC[C@@H]2C)c(Cl)c1 ZINC000934299290 1025331041 /nfs/dbraw/zinc/33/10/41/1025331041.db2.gz IKXAEEOYOZNSKY-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCSC[C@@H]2C)c(Cl)c1 ZINC000934299290 1025331053 /nfs/dbraw/zinc/33/10/53/1025331053.db2.gz IKXAEEOYOZNSKY-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1)[NH+]1CCSCC1 ZINC000442495647 1025336608 /nfs/dbraw/zinc/33/66/08/1025336608.db2.gz OUNBMJXZEOFFJJ-QGZVFWFLSA-N 1 2 340.492 3.657 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000611577039 1025336739 /nfs/dbraw/zinc/33/67/39/1025336739.db2.gz ZQWNMNFHJRXQSB-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000611577039 1025336757 /nfs/dbraw/zinc/33/67/57/1025336757.db2.gz ZQWNMNFHJRXQSB-MRXNPFEDSA-N 1 2 332.831 3.806 20 0 EHADLO CCc1noc([C@H]2CC[C@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)n1 ZINC000896345500 1025367346 /nfs/dbraw/zinc/36/73/46/1025367346.db2.gz RYTCHNHHGCGJJC-KBPBESRZSA-N 1 2 327.432 3.746 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C(F)F)c1 ZINC000521460676 1025397032 /nfs/dbraw/zinc/39/70/32/1025397032.db2.gz JBWXHYWJOBBELJ-LXZKKBNFSA-N 1 2 327.415 3.921 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C(F)F)c1 ZINC000521460675 1025397273 /nfs/dbraw/zinc/39/72/73/1025397273.db2.gz JBWXHYWJOBBELJ-KMFMINBZSA-N 1 2 327.415 3.921 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746355 1033280791 /nfs/dbraw/zinc/28/07/91/1033280791.db2.gz HZOPUKQWAHPNFP-MGPUTAFESA-N 1 2 345.414 3.675 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746355 1033280797 /nfs/dbraw/zinc/28/07/97/1033280797.db2.gz HZOPUKQWAHPNFP-MGPUTAFESA-N 1 2 345.414 3.675 20 0 EHADLO O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001125584835 1025404052 /nfs/dbraw/zinc/40/40/52/1025404052.db2.gz VBLFEFKGRINVIB-UHFFFAOYSA-N 1 2 345.446 3.999 20 0 EHADLO CC(C)(CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000347016887 1025413781 /nfs/dbraw/zinc/41/37/81/1025413781.db2.gz ZSAYQXJOYMUNLB-UHFFFAOYSA-N 1 2 339.361 3.526 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ncccc12 ZINC001125585004 1025423744 /nfs/dbraw/zinc/42/37/44/1025423744.db2.gz WXWOGTOBHUATPQ-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCc1cc(Cl)cs1 ZINC000347063730 1025476585 /nfs/dbraw/zinc/47/65/85/1025476585.db2.gz CPUNQIPQSRKMTI-UHFFFAOYSA-N 1 2 337.876 3.526 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCc1cccc(Br)c1 ZINC000451057197 1025478892 /nfs/dbraw/zinc/47/88/92/1025478892.db2.gz IWADQFANANUHCH-JTQLQIEISA-N 1 2 326.263 3.536 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000451057197 1025478900 /nfs/dbraw/zinc/47/89/00/1025478900.db2.gz IWADQFANANUHCH-JTQLQIEISA-N 1 2 326.263 3.536 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(N3CCC(C)CC3)c2)c[nH+]1 ZINC000896511983 1025493669 /nfs/dbraw/zinc/49/36/69/1025493669.db2.gz RYZISSOAWBYEIY-UHFFFAOYSA-N 1 2 340.471 3.802 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000391843304 1025496909 /nfs/dbraw/zinc/49/69/09/1025496909.db2.gz VZTXODAMYOCQPE-GJZGRUSLSA-N 1 2 328.460 3.733 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccc(Br)c(Cl)c2)s1 ZINC000391862230 1025498280 /nfs/dbraw/zinc/49/82/80/1025498280.db2.gz ZCHGWEDDXXFCCH-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO CCC[N@H+](Cc1cnccc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000347122950 1025541450 /nfs/dbraw/zinc/54/14/50/1025541450.db2.gz IEIGTCQLRUSHDS-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cnccc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000347122950 1025541471 /nfs/dbraw/zinc/54/14/71/1025541471.db2.gz IEIGTCQLRUSHDS-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467343582 1025587652 /nfs/dbraw/zinc/58/76/52/1025587652.db2.gz DLPKANUYBYLSIH-GUDVDZBRSA-N 1 2 344.499 3.839 20 0 EHADLO Cc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)nn1C(C)(C)C ZINC000373691690 1025617196 /nfs/dbraw/zinc/61/71/96/1025617196.db2.gz DLNZQTMRKIMPLT-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO CC(C)c1cc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000664546869 1025620029 /nfs/dbraw/zinc/62/00/29/1025620029.db2.gz PDBFVWQYKKOWKU-CQSZACIVSA-N 1 2 332.492 3.782 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000442962211 1025623426 /nfs/dbraw/zinc/62/34/26/1025623426.db2.gz CDSIBPMFDZCXMV-FUHWJXTLSA-N 1 2 337.467 3.666 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511093940 1025637861 /nfs/dbraw/zinc/63/78/61/1025637861.db2.gz WPTGENMDYAZXRA-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000511093940 1025637868 /nfs/dbraw/zinc/63/78/68/1025637868.db2.gz WPTGENMDYAZXRA-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000119703154 1025656507 /nfs/dbraw/zinc/65/65/07/1025656507.db2.gz DCQDQMDNVWIGBS-OAHLLOKOSA-N 1 2 327.428 3.939 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000119703019 1025656561 /nfs/dbraw/zinc/65/65/61/1025656561.db2.gz DCQDQMDNVWIGBS-HNNXBMFYSA-N 1 2 327.428 3.939 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(C)no2)o1 ZINC000303756826 1025673265 /nfs/dbraw/zinc/67/32/65/1025673265.db2.gz BSVXWPFBWHVRQT-HNNXBMFYSA-N 1 2 331.416 3.694 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(C)no2)o1 ZINC000303756826 1025673281 /nfs/dbraw/zinc/67/32/81/1025673281.db2.gz BSVXWPFBWHVRQT-HNNXBMFYSA-N 1 2 331.416 3.694 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179369622 1025674171 /nfs/dbraw/zinc/67/41/71/1025674171.db2.gz XSDIWTPCZNOKII-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179369622 1025674178 /nfs/dbraw/zinc/67/41/78/1025674178.db2.gz XSDIWTPCZNOKII-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)no1 ZINC000436414545 1025691727 /nfs/dbraw/zinc/69/17/27/1025691727.db2.gz VLTJJFVRPQDMTA-UHFFFAOYSA-N 1 2 346.456 3.731 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2nnnn2Cc2ccccc2)CC(C)C)c1 ZINC000521821311 1025708875 /nfs/dbraw/zinc/70/88/75/1025708875.db2.gz DEHPYIGANSXULJ-UHFFFAOYSA-N 1 2 349.482 3.688 20 0 EHADLO Cc1cccc(C[N@H+](Cc2nnnn2Cc2ccccc2)CC(C)C)c1 ZINC000521821311 1025708884 /nfs/dbraw/zinc/70/88/84/1025708884.db2.gz DEHPYIGANSXULJ-UHFFFAOYSA-N 1 2 349.482 3.688 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000657381628 1025726621 /nfs/dbraw/zinc/72/66/21/1025726621.db2.gz HCZDYVAYIPOURZ-ZIAGYGMSSA-N 1 2 347.459 3.632 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000515922211 1025742778 /nfs/dbraw/zinc/74/27/78/1025742778.db2.gz NGNCCAMKUPNDPS-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000515922211 1025742790 /nfs/dbraw/zinc/74/27/90/1025742790.db2.gz NGNCCAMKUPNDPS-QUCCMNQESA-N 1 2 342.483 3.782 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1F ZINC000443163089 1025757162 /nfs/dbraw/zinc/75/71/62/1025757162.db2.gz XJFWAHCXIAWNAN-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1F ZINC000443163089 1025757181 /nfs/dbraw/zinc/75/71/81/1025757181.db2.gz XJFWAHCXIAWNAN-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348293215 1025771217 /nfs/dbraw/zinc/77/12/17/1025771217.db2.gz OLBMGRQLKWIXJJ-KOSHJBKYSA-N 1 2 340.448 3.551 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnn2c1CCC2)c1nc(C(F)(F)F)cs1 ZINC000657385474 1025780722 /nfs/dbraw/zinc/78/07/22/1025780722.db2.gz ZRQPDLFSTDWPTJ-SNVBAGLBSA-N 1 2 330.379 3.546 20 0 EHADLO O=C(CSC1CC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425567332 1025790344 /nfs/dbraw/zinc/79/03/44/1025790344.db2.gz INXQAHDEYATBSA-UHFFFAOYSA-N 1 2 327.453 3.721 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000515964420 1025797954 /nfs/dbraw/zinc/79/79/54/1025797954.db2.gz NJLCNYJIGYDMMQ-RDTXWAMCSA-N 1 2 335.407 3.578 20 0 EHADLO Cc1ccc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000303920159 1025808540 /nfs/dbraw/zinc/80/85/40/1025808540.db2.gz OMYOJIBZMUTUJI-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc4c3CC[C@@H](C)C4)n2)C1 ZINC000329404831 1025814411 /nfs/dbraw/zinc/81/44/11/1025814411.db2.gz ZBARAIPYGPETOD-DOMZBBRYSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc4c3CC[C@@H](C)C4)n2)C1 ZINC000329404831 1025814423 /nfs/dbraw/zinc/81/44/23/1025814423.db2.gz ZBARAIPYGPETOD-DOMZBBRYSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)c1ccc(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)cc1 ZINC000443216428 1025817460 /nfs/dbraw/zinc/81/74/60/1025817460.db2.gz BGITVZADQLAELP-INIZCTEOSA-N 1 2 331.485 3.721 20 0 EHADLO CC(C)c1ccc(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)cc1 ZINC000443216428 1025817480 /nfs/dbraw/zinc/81/74/80/1025817480.db2.gz BGITVZADQLAELP-INIZCTEOSA-N 1 2 331.485 3.721 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326180 1025829411 /nfs/dbraw/zinc/82/94/11/1025829411.db2.gz CRCITAMCDQMMGX-KRWDZBQOSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326180 1025829423 /nfs/dbraw/zinc/82/94/23/1025829423.db2.gz CRCITAMCDQMMGX-KRWDZBQOSA-N 1 2 346.858 3.561 20 0 EHADLO CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000474905054 1025837492 /nfs/dbraw/zinc/83/74/92/1025837492.db2.gz FBMWEAPQQGRLMU-KDOFPFPSSA-N 1 2 341.455 3.886 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(Cl)cc1)C2 ZINC001279145237 1025986981 /nfs/dbraw/zinc/98/69/81/1025986981.db2.gz VQXDIBYXXKJEDL-UHFFFAOYSA-N 1 2 333.888 3.565 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(Cl)cc1)C2 ZINC001279145237 1025986992 /nfs/dbraw/zinc/98/69/92/1025986992.db2.gz VQXDIBYXXKJEDL-UHFFFAOYSA-N 1 2 333.888 3.565 20 0 EHADLO Cc1[nH]c(CNC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)[nH+]c1C ZINC000896916733 1026000460 /nfs/dbraw/zinc/00/04/60/1026000460.db2.gz IHLCOZZQOJKQPF-UHFFFAOYSA-N 1 2 343.471 3.655 20 0 EHADLO c1[nH+]c2n(c1CNc1ccc(-c3cn4c(n3)CCCC4)cc1)CCC2 ZINC000657405550 1026023323 /nfs/dbraw/zinc/02/33/23/1026023323.db2.gz CZSOUEZRRKZHST-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)OC(C)(C)C)CC1 ZINC000505863219 1026037917 /nfs/dbraw/zinc/03/79/17/1026037917.db2.gz ARGOZBKQDARXDR-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)OC(C)(C)C)CC1 ZINC000505863219 1026037935 /nfs/dbraw/zinc/03/79/35/1026037935.db2.gz ARGOZBKQDARXDR-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2ccnc(Cc3ccccc3)n2)[nH+]c1C ZINC000895192604 1026084423 /nfs/dbraw/zinc/08/44/23/1026084423.db2.gz IVOVIWUJVSFPLT-KRWDZBQOSA-N 1 2 333.439 3.749 20 0 EHADLO c1cn(-c2ccc(Cc3noc([C@@H]4CCCCS4)n3)cc2)c[nH+]1 ZINC000896824186 1026097275 /nfs/dbraw/zinc/09/72/75/1026097275.db2.gz RSRQWHLGNCZUHU-HNNXBMFYSA-N 1 2 326.425 3.804 20 0 EHADLO c1cn(-c2ccc(Cc3noc(C4SCCCS4)n3)cc2)c[nH+]1 ZINC000896821720 1026106198 /nfs/dbraw/zinc/10/61/98/1026106198.db2.gz WDHDJZZHNMQULF-UHFFFAOYSA-N 1 2 344.465 3.715 20 0 EHADLO CC[C@@H](C)[C@@H](OC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822044 1026106831 /nfs/dbraw/zinc/10/68/31/1026106831.db2.gz ZABFPQATJLEYTK-CXAGYDPISA-N 1 2 326.400 3.580 20 0 EHADLO CC(C)(C)c1cc(-c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)no1 ZINC000896822585 1026108084 /nfs/dbraw/zinc/10/80/84/1026108084.db2.gz FGQHXDPJOSULMI-UHFFFAOYSA-N 1 2 349.394 3.799 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCn3c(cnc3C(F)(F)F)C2)c(F)c1 ZINC000896932504 1026111329 /nfs/dbraw/zinc/11/13/29/1026111329.db2.gz WQSPNZMULIYXHS-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCn3c(cnc3C(F)(F)F)C2)c(F)c1 ZINC000896932504 1026111349 /nfs/dbraw/zinc/11/13/49/1026111349.db2.gz WQSPNZMULIYXHS-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH+]ccn21 ZINC000460330140 1026120180 /nfs/dbraw/zinc/12/01/80/1026120180.db2.gz GUSRBCFJZRSINU-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC000375698940 1026141049 /nfs/dbraw/zinc/14/10/49/1026141049.db2.gz UBEYJNNUVFOVKG-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC000375698940 1026141053 /nfs/dbraw/zinc/14/10/53/1026141053.db2.gz UBEYJNNUVFOVKG-UHFFFAOYSA-N 1 2 347.459 3.527 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cscc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000896980985 1026180023 /nfs/dbraw/zinc/18/00/23/1026180023.db2.gz QJSGNGSRWAAQMP-ZWNOBZJWSA-N 1 2 325.384 3.606 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000530662407 1026196878 /nfs/dbraw/zinc/19/68/78/1026196878.db2.gz YQYDHMGXDQUKQI-ZDUSSCGKSA-N 1 2 349.390 3.585 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000530662407 1026196883 /nfs/dbraw/zinc/19/68/83/1026196883.db2.gz YQYDHMGXDQUKQI-ZDUSSCGKSA-N 1 2 349.390 3.585 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530724653 1026250272 /nfs/dbraw/zinc/25/02/72/1026250272.db2.gz TUNMDKYIPCCFRM-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530724653 1026250283 /nfs/dbraw/zinc/25/02/83/1026250283.db2.gz TUNMDKYIPCCFRM-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724197 1026250319 /nfs/dbraw/zinc/25/03/19/1026250319.db2.gz WUAKUGQOBJPRFC-ZWKOTPCHSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724197 1026250333 /nfs/dbraw/zinc/25/03/33/1026250333.db2.gz WUAKUGQOBJPRFC-ZWKOTPCHSA-N 1 2 338.455 3.635 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)ccnc1CC ZINC000934473543 1026297410 /nfs/dbraw/zinc/29/74/10/1026297410.db2.gz CVWNSYZKHCPUDX-UHFFFAOYSA-N 1 2 343.475 3.655 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830138 1026314021 /nfs/dbraw/zinc/31/40/21/1026314021.db2.gz CSTXLPHCPHPOAR-APWZRJJASA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830138 1026314035 /nfs/dbraw/zinc/31/40/35/1026314035.db2.gz CSTXLPHCPHPOAR-APWZRJJASA-N 1 2 338.451 3.820 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccnn2CC2CCC2)o1 ZINC000925139650 1026323891 /nfs/dbraw/zinc/32/38/91/1026323891.db2.gz FHVXGQBYCQXQIL-YOEHRIQHSA-N 1 2 331.460 3.877 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)cn1 ZINC000451916087 1026377066 /nfs/dbraw/zinc/37/70/66/1026377066.db2.gz UYSIWPLBBKISGC-ZIAGYGMSSA-N 1 2 325.416 3.673 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)n1C ZINC000451922471 1026394376 /nfs/dbraw/zinc/39/43/76/1026394376.db2.gz LBBPETCQCARKQM-UHFFFAOYSA-N 1 2 348.441 3.671 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)OC4(CCC4)C3)co2)cc1 ZINC000582484262 1026400168 /nfs/dbraw/zinc/40/01/68/1026400168.db2.gz CYICCDKLGKFPAP-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C)OC4(CCC4)C3)co2)cc1 ZINC000582484262 1026400173 /nfs/dbraw/zinc/40/01/73/1026400173.db2.gz CYICCDKLGKFPAP-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(N2CCCC2)c1 ZINC000934496409 1026436136 /nfs/dbraw/zinc/43/61/36/1026436136.db2.gz ZXSKMNMRLHUJAD-AWEZNQCLSA-N 1 2 334.423 3.654 20 0 EHADLO CCn1c(C[NH2+][C@@H](COC)c2ccc(F)cc2)nc2ccccc21 ZINC000530967473 1026440323 /nfs/dbraw/zinc/44/03/23/1026440323.db2.gz RRMTVJBTSWQWCE-KRWDZBQOSA-N 1 2 327.403 3.673 20 0 EHADLO CC(C)(C)c1coc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000897176306 1026449006 /nfs/dbraw/zinc/44/90/06/1026449006.db2.gz SEPLVSTWKWGGAU-UHFFFAOYSA-N 1 2 348.410 3.713 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000122446542 1026467806 /nfs/dbraw/zinc/46/78/06/1026467806.db2.gz CDEYGUGMFFMWBE-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1OC(F)F ZINC000152655483 1026488942 /nfs/dbraw/zinc/48/89/42/1026488942.db2.gz NQMMJVWUIMQEGA-CYBMUJFWSA-N 1 2 344.365 3.720 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)c1 ZINC000475347481 1026504303 /nfs/dbraw/zinc/50/43/03/1026504303.db2.gz RYHAWYAQLGHGJQ-SJORKVTESA-N 1 2 346.515 3.973 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC2(C1)CCCCCC2 ZINC000475374821 1026541646 /nfs/dbraw/zinc/54/16/46/1026541646.db2.gz ZXWXTUDLFOQONJ-UHFFFAOYSA-N 1 2 340.471 3.980 20 0 EHADLO CCC[C@H](CC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159234502 1026555721 /nfs/dbraw/zinc/55/57/21/1026555721.db2.gz QRYDODNQROPUTL-HNNXBMFYSA-N 1 2 330.432 3.662 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167914946 1026571676 /nfs/dbraw/zinc/57/16/76/1026571676.db2.gz UADATCBMLDMWGB-CZUORRHYSA-N 1 2 344.459 3.604 20 0 EHADLO Cc1csc(C(=O)Nc2ccn3cc[nH+]c3c2)c1Br ZINC000347321128 1026583618 /nfs/dbraw/zinc/58/36/18/1026583618.db2.gz KCVDPLGBTRSSAE-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO CC[C@@H](C)OCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277715940 1026661694 /nfs/dbraw/zinc/66/16/94/1026661694.db2.gz NXIUHVUNBAVPRU-CQSZACIVSA-N 1 2 327.428 3.640 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000452333778 1026665880 /nfs/dbraw/zinc/66/58/80/1026665880.db2.gz KFPSSGUBBJFTPR-WDEREUQCSA-N 1 2 333.794 3.754 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000452333540 1026666414 /nfs/dbraw/zinc/66/64/14/1026666414.db2.gz JRJLSDUGGJOHHV-KGLIPLIRSA-N 1 2 349.356 3.980 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc(C(C)C)[nH+]1 ZINC000301138468 1026699095 /nfs/dbraw/zinc/69/90/95/1026699095.db2.gz AXEJSPOBMSPWSJ-INIZCTEOSA-N 1 2 333.382 3.765 20 0 EHADLO CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccc(Cl)c1 ZINC000193049862 1026707578 /nfs/dbraw/zinc/70/75/78/1026707578.db2.gz PNSLAVUTBUARNW-UHFFFAOYSA-N 1 2 345.859 3.888 20 0 EHADLO Cc1ncsc1-c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000657488451 1026730685 /nfs/dbraw/zinc/73/06/85/1026730685.db2.gz PERLESZFCAGCLS-UHFFFAOYSA-N 1 2 341.484 3.824 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)nc(C(C)C)[nH+]1 ZINC000301304196 1026756808 /nfs/dbraw/zinc/75/68/08/1026756808.db2.gz XGDNJDMQBFXZST-OAHLLOKOSA-N 1 2 325.412 3.979 20 0 EHADLO CC(C)c1noc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000301342365 1026770473 /nfs/dbraw/zinc/77/04/73/1026770473.db2.gz QXTPNIIOIBCRNJ-CYBMUJFWSA-N 1 2 334.851 3.730 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001271507652 1026771814 /nfs/dbraw/zinc/77/18/14/1026771814.db2.gz XCURJRRNXNFBKL-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001271507652 1026771826 /nfs/dbraw/zinc/77/18/26/1026771826.db2.gz XCURJRRNXNFBKL-UHFFFAOYSA-N 1 2 346.780 3.583 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000684942283 1026775459 /nfs/dbraw/zinc/77/54/59/1026775459.db2.gz YTHHIZNIRZRETB-UHFFFAOYSA-N 1 2 349.837 3.804 20 0 EHADLO CO[C@H](CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccc(F)cc1 ZINC000301428289 1026801312 /nfs/dbraw/zinc/80/13/12/1026801312.db2.gz MWMFDGNAQLZAFF-WMLDXEAASA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@H](CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccc(F)cc1 ZINC000301428289 1026801327 /nfs/dbraw/zinc/80/13/27/1026801327.db2.gz MWMFDGNAQLZAFF-WMLDXEAASA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000301479208 1026822100 /nfs/dbraw/zinc/82/21/00/1026822100.db2.gz VKXQRLHXGAXVBB-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000301479208 1026822112 /nfs/dbraw/zinc/82/21/12/1026822112.db2.gz VKXQRLHXGAXVBB-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1F)c1c(F)cccc1F ZINC000301527085 1026838816 /nfs/dbraw/zinc/83/88/16/1026838816.db2.gz IHDKNJRLNBRTRF-ZDUSSCGKSA-N 1 2 329.753 3.867 20 0 EHADLO C[C@@H]1CCN(c2nc(C(F)F)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000301647245 1026887238 /nfs/dbraw/zinc/88/72/38/1026887238.db2.gz QAYRTKQCXUMHRL-IUODEOHRSA-N 1 2 343.381 3.851 20 0 EHADLO C[C@@H]1C[C@@]1(NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000582676875 1026918350 /nfs/dbraw/zinc/91/83/50/1026918350.db2.gz LQZXZJZAUDCUJG-KDOFPFPSSA-N 1 2 346.862 3.551 20 0 EHADLO c1ccc([C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCS2)cc1 ZINC000301824911 1026952607 /nfs/dbraw/zinc/95/26/07/1026952607.db2.gz LYKVITMYBSJGRO-MRXNPFEDSA-N 1 2 326.469 3.593 20 0 EHADLO c1ccc([C@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCS2)cc1 ZINC000301824911 1026952616 /nfs/dbraw/zinc/95/26/16/1026952616.db2.gz LYKVITMYBSJGRO-MRXNPFEDSA-N 1 2 326.469 3.593 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H]1Cc1ccccc1 ZINC000301823115 1026953153 /nfs/dbraw/zinc/95/31/53/1026953153.db2.gz CFWCBWQTDCOLNE-MRXNPFEDSA-N 1 2 335.455 3.793 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000305759670 1026955300 /nfs/dbraw/zinc/95/53/00/1026955300.db2.gz CYNMQOIUFMWHMO-QGZVFWFLSA-N 1 2 326.371 3.694 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(C)n1C ZINC000531493269 1026968235 /nfs/dbraw/zinc/96/82/35/1026968235.db2.gz QHMWKECZJWTVEJ-UHFFFAOYSA-N 1 2 344.430 3.507 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000531494371 1026970350 /nfs/dbraw/zinc/97/03/50/1026970350.db2.gz YUEFHEIMLZYQBQ-QGZVFWFLSA-N 1 2 332.488 3.643 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342757632 1026971895 /nfs/dbraw/zinc/97/18/95/1026971895.db2.gz NBRWXAOCQHZADU-IBGZPJMESA-N 1 2 345.874 3.750 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342757632 1026971902 /nfs/dbraw/zinc/97/19/02/1026971902.db2.gz NBRWXAOCQHZADU-IBGZPJMESA-N 1 2 345.874 3.750 20 0 EHADLO CC(C)c1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301873559 1026974524 /nfs/dbraw/zinc/97/45/24/1026974524.db2.gz QXEZVNGFDIJYSR-CQSZACIVSA-N 1 2 348.491 3.827 20 0 EHADLO Cc1cccc(NC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000301881351 1026976430 /nfs/dbraw/zinc/97/64/30/1026976430.db2.gz IGEBMTNRBGGTSE-UHFFFAOYSA-N 1 2 333.439 3.601 20 0 EHADLO Nc1nc(N2CC[C@@H](Oc3ccccc3Cl)C2)[nH+]c2ccccc12 ZINC000301879914 1026976567 /nfs/dbraw/zinc/97/65/67/1026976567.db2.gz HTKOUHCPASRHEX-GFCCVEGCSA-N 1 2 340.814 3.523 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@@H](CCO)c3ccccc3)o2)cc1 ZINC000305786117 1026983388 /nfs/dbraw/zinc/98/33/88/1026983388.db2.gz XYUKOLMHJITMNA-SFHVURJKSA-N 1 2 338.407 3.564 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@H](CCO)c3ccccc3)o2)cc1 ZINC000305786116 1026983489 /nfs/dbraw/zinc/98/34/89/1026983489.db2.gz XYUKOLMHJITMNA-GOSISDBHSA-N 1 2 338.407 3.564 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)N(C)c1ccccc1 ZINC000301902378 1026986857 /nfs/dbraw/zinc/98/68/57/1026986857.db2.gz WIPHJYKZTBRLDN-CQSZACIVSA-N 1 2 338.459 3.518 20 0 EHADLO C[C@@H](C[C@@H](O)c1cccs1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301926120 1026996829 /nfs/dbraw/zinc/99/68/29/1026996829.db2.gz MRQGTWKAIISOGP-WCQYABFASA-N 1 2 345.472 3.567 20 0 EHADLO COc1cc(C)cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301934952 1026999542 /nfs/dbraw/zinc/99/95/42/1026999542.db2.gz QTXXMJWMCKOOCA-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)n1C ZINC000342771978 1027003806 /nfs/dbraw/zinc/00/38/06/1027003806.db2.gz AHHPGLUNWVUXSU-KRWDZBQOSA-N 1 2 339.418 3.595 20 0 EHADLO Cc1c[nH+]c(CN(Cc2csc(Br)c2)C2CC2)n1C ZINC000342774428 1027011344 /nfs/dbraw/zinc/01/13/44/1027011344.db2.gz FIJLRXARRPHNJH-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO Cc1ccc(-c2noc(NCc3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000302012033 1027023993 /nfs/dbraw/zinc/02/39/93/1027023993.db2.gz AWUDHHWJRDPTSI-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO CC1(C)C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C(C)(C)O1 ZINC000302025455 1027027735 /nfs/dbraw/zinc/02/77/35/1027027735.db2.gz GOSHHKWMUNCNOT-HNNXBMFYSA-N 1 2 337.427 3.574 20 0 EHADLO Fc1ccc([C@H]2OCC[C@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1F ZINC000302044619 1027033405 /nfs/dbraw/zinc/03/34/05/1027033405.db2.gz XMVZUKHBFRQIGD-CRAIPNDOSA-N 1 2 346.381 3.519 20 0 EHADLO Fc1ccc([C@H]2OCC[C@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000302044619 1027033414 /nfs/dbraw/zinc/03/34/14/1027033414.db2.gz XMVZUKHBFRQIGD-CRAIPNDOSA-N 1 2 346.381 3.519 20 0 EHADLO Fc1cc(CCNc2cc(N3CCCCC3)nc[nH+]2)cc(F)c1F ZINC000302048155 1027034059 /nfs/dbraw/zinc/03/40/59/1027034059.db2.gz VWZPUINSULHTFM-UHFFFAOYSA-N 1 2 336.361 3.539 20 0 EHADLO Fc1cc(CCNc2cc(N3CCCCC3)[nH+]cn2)cc(F)c1F ZINC000302048155 1027034062 /nfs/dbraw/zinc/03/40/62/1027034062.db2.gz VWZPUINSULHTFM-UHFFFAOYSA-N 1 2 336.361 3.539 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c[nH+]1 ZINC000897368575 1027050351 /nfs/dbraw/zinc/05/03/51/1027050351.db2.gz QGVFLSHBXKNWAO-UHFFFAOYSA-N 1 2 337.370 3.631 20 0 EHADLO Cc1nc(NCCc2nc(C(F)(F)F)cs2)c2c([nH+]1)CCCC2 ZINC000302098988 1027051721 /nfs/dbraw/zinc/05/17/21/1027051721.db2.gz PETNHMHDGDOVGS-UHFFFAOYSA-N 1 2 342.390 3.794 20 0 EHADLO Cc1nc(N2CCC[C@H]2C[C@H](O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302109610 1027057147 /nfs/dbraw/zinc/05/71/47/1027057147.db2.gz SZKUPSATDVUYCF-YOEHRIQHSA-N 1 2 343.496 3.818 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789047 1027064747 /nfs/dbraw/zinc/06/47/47/1027064747.db2.gz WQVZJOQSNNAOAN-CYBMUJFWSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789047 1027064754 /nfs/dbraw/zinc/06/47/54/1027064754.db2.gz WQVZJOQSNNAOAN-CYBMUJFWSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1c[nH+]c(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000342789047 1027064762 /nfs/dbraw/zinc/06/47/62/1027064762.db2.gz WQVZJOQSNNAOAN-CYBMUJFWSA-N 1 2 340.254 3.689 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000125717848 1027115194 /nfs/dbraw/zinc/11/51/94/1027115194.db2.gz CFQWEQYNJZNJQH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000125717848 1027115209 /nfs/dbraw/zinc/11/52/09/1027115209.db2.gz CFQWEQYNJZNJQH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000342795076 1027118376 /nfs/dbraw/zinc/11/83/76/1027118376.db2.gz WIZMUHFWSKGLPS-LBPRGKRZSA-N 1 2 343.324 3.758 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000342795076 1027118384 /nfs/dbraw/zinc/11/83/84/1027118384.db2.gz WIZMUHFWSKGLPS-LBPRGKRZSA-N 1 2 343.324 3.758 20 0 EHADLO CN(c1nc(COc2ccccc2-n2cc[nH+]c2)cs1)C1CC1 ZINC000531640477 1027130656 /nfs/dbraw/zinc/13/06/56/1027130656.db2.gz KQQOHFVIIVESJD-UHFFFAOYSA-N 1 2 326.425 3.506 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531787 1027142996 /nfs/dbraw/zinc/14/29/96/1027142996.db2.gz NICMICRFPGFLBU-KRWDZBQOSA-N 1 2 340.471 3.666 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075531846 1027143471 /nfs/dbraw/zinc/14/34/71/1027143471.db2.gz XOGJDOZCXWSCOP-QGZVFWFLSA-N 1 2 341.455 3.673 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533588 1027145713 /nfs/dbraw/zinc/14/57/13/1027145713.db2.gz DBVWFFFUECFTQR-AWEZNQCLSA-N 1 2 347.846 3.628 20 0 EHADLO CCc1ccc([C@@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000126044672 1027157745 /nfs/dbraw/zinc/15/77/45/1027157745.db2.gz WKKJDVITFNQJSA-IBGZPJMESA-N 1 2 337.423 3.601 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000126113196 1027162957 /nfs/dbraw/zinc/16/29/57/1027162957.db2.gz KKSXCXZVLAHNOA-SFHVURJKSA-N 1 2 337.467 3.760 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c(C)[nH+]1 ZINC000419778342 1027177595 /nfs/dbraw/zinc/17/75/95/1027177595.db2.gz HHRHYACDTJYKDX-HOTGVXAUSA-N 1 2 345.487 3.619 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccccn2)nc2cc(Cl)ccc21 ZINC000532651235 1027184277 /nfs/dbraw/zinc/18/42/77/1027184277.db2.gz GYRXLORSGQJIJM-KRWDZBQOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccccn2)nc2cc(Cl)ccc21 ZINC000532651235 1027184288 /nfs/dbraw/zinc/18/42/88/1027184288.db2.gz GYRXLORSGQJIJM-KRWDZBQOSA-N 1 2 326.831 3.959 20 0 EHADLO CC(C)(C)c1nsc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000302559753 1027194023 /nfs/dbraw/zinc/19/40/23/1027194023.db2.gz ZIKNWZRZLISILM-JXMROGBWSA-N 1 2 342.512 3.671 20 0 EHADLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000272962081 1027199396 /nfs/dbraw/zinc/19/93/96/1027199396.db2.gz QFAFHEHNGYGZIH-GUYCJALGSA-N 1 2 330.453 3.778 20 0 EHADLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000272962081 1027199406 /nfs/dbraw/zinc/19/94/06/1027199406.db2.gz QFAFHEHNGYGZIH-GUYCJALGSA-N 1 2 330.453 3.778 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900513 1027205677 /nfs/dbraw/zinc/20/56/77/1027205677.db2.gz SYOAZHKVIYUCCJ-GWCFXTLKSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000075900513 1027205697 /nfs/dbraw/zinc/20/56/97/1027205697.db2.gz SYOAZHKVIYUCCJ-GWCFXTLKSA-N 1 2 343.324 3.897 20 0 EHADLO CCc1cnccc1CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640174565 1027212333 /nfs/dbraw/zinc/21/23/33/1027212333.db2.gz NYSNOPQLWZOBBC-UHFFFAOYSA-N 1 2 349.438 3.580 20 0 EHADLO C[N@@H+]1CC[C@@H](Nc2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302619441 1027213410 /nfs/dbraw/zinc/21/34/10/1027213410.db2.gz GOZNLCPGPUQCBR-ZIAGYGMSSA-N 1 2 341.217 3.780 20 0 EHADLO C[N@H+]1CC[C@@H](Nc2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302619441 1027213414 /nfs/dbraw/zinc/21/34/14/1027213414.db2.gz GOZNLCPGPUQCBR-ZIAGYGMSSA-N 1 2 341.217 3.780 20 0 EHADLO COc1ccc2oc(C[NH2+][C@@H](C)c3cn(-c4ccccc4)nn3)cc2c1 ZINC000126730127 1027233376 /nfs/dbraw/zinc/23/33/76/1027233376.db2.gz CSHOMZDWKNIPLW-AWEZNQCLSA-N 1 2 348.406 3.873 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)s1 ZINC000076073121 1027235460 /nfs/dbraw/zinc/23/54/60/1027235460.db2.gz UTMQDQGELVQTGT-WDEREUQCSA-N 1 2 338.864 3.775 20 0 EHADLO COc1ccccc1-n1nccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000430038239 1027238412 /nfs/dbraw/zinc/23/84/12/1027238412.db2.gz JWLZXLSABRDQKF-UHFFFAOYSA-N 1 2 345.805 3.963 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)nc2sccn21 ZINC000044895696 1027244882 /nfs/dbraw/zinc/24/48/82/1027244882.db2.gz GNEWUYUDYMTXFL-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)nc2sccn21 ZINC000044895696 1027244898 /nfs/dbraw/zinc/24/48/98/1027244898.db2.gz GNEWUYUDYMTXFL-HNNXBMFYSA-N 1 2 345.855 3.747 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@](C)(F)C2)cc1 ZINC000501418978 1027270869 /nfs/dbraw/zinc/27/08/69/1027270869.db2.gz MLZOLSZSKGUSQH-ICSRJNTNSA-N 1 2 348.462 3.573 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@](C)(F)C2)cc1 ZINC000501418978 1027270872 /nfs/dbraw/zinc/27/08/72/1027270872.db2.gz MLZOLSZSKGUSQH-ICSRJNTNSA-N 1 2 348.462 3.573 20 0 EHADLO O=C(Nc1ccc2ccccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127102632 1027273986 /nfs/dbraw/zinc/27/39/86/1027273986.db2.gz BMYUCUYNDJCYSD-LJQANCHMSA-N 1 2 333.391 3.920 20 0 EHADLO CC[C@@H](C)[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000453034730 1027275342 /nfs/dbraw/zinc/27/53/42/1027275342.db2.gz YBJWYJFFDGVLPX-CABCVRRESA-N 1 2 329.444 3.718 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000127155276 1027280206 /nfs/dbraw/zinc/28/02/06/1027280206.db2.gz ORVTXXJEGAGQGH-CQSZACIVSA-N 1 2 331.803 3.729 20 0 EHADLO Cc1cnc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)s1 ZINC000453054550 1027298822 /nfs/dbraw/zinc/29/88/22/1027298822.db2.gz XUYAXQWTOSLEMN-UHFFFAOYSA-N 1 2 335.326 3.738 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000248470745 1027307506 /nfs/dbraw/zinc/30/75/06/1027307506.db2.gz VHJLMCRUMVZWTA-XJKSGUPXSA-N 1 2 333.407 3.766 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000248470745 1027307527 /nfs/dbraw/zinc/30/75/27/1027307527.db2.gz VHJLMCRUMVZWTA-XJKSGUPXSA-N 1 2 333.407 3.766 20 0 EHADLO COC[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302853725 1027325454 /nfs/dbraw/zinc/32/54/54/1027325454.db2.gz JZQNQVLHMRKVJM-OAHLLOKOSA-N 1 2 332.835 3.752 20 0 EHADLO COC[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302853725 1027325476 /nfs/dbraw/zinc/32/54/76/1027325476.db2.gz JZQNQVLHMRKVJM-OAHLLOKOSA-N 1 2 332.835 3.752 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657569092 1027327606 /nfs/dbraw/zinc/32/76/06/1027327606.db2.gz MSOZOWJRNZLRKV-BDJLRTHQSA-N 1 2 326.375 3.781 20 0 EHADLO CC1(C)CC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)c2ccccc21 ZINC000302874179 1027335934 /nfs/dbraw/zinc/33/59/34/1027335934.db2.gz DDWZBTYWXSHONG-KRWDZBQOSA-N 1 2 338.455 3.538 20 0 EHADLO CC1(C)CC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)c2ccccc21 ZINC000302874179 1027335952 /nfs/dbraw/zinc/33/59/52/1027335952.db2.gz DDWZBTYWXSHONG-KRWDZBQOSA-N 1 2 338.455 3.538 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3cccc(O)c3)n2)cc1 ZINC000531765196 1027341241 /nfs/dbraw/zinc/34/12/41/1027341241.db2.gz KNDDMYWUGYBNHV-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3cccc(O)c3)n2)cc1 ZINC000531765196 1027341259 /nfs/dbraw/zinc/34/12/59/1027341259.db2.gz KNDDMYWUGYBNHV-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)ccc1OC ZINC000657567398 1027348401 /nfs/dbraw/zinc/34/84/01/1027348401.db2.gz AXHNMIZSKCXZPE-GDBMZVCRSA-N 1 2 344.459 3.651 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000628143621 1027351507 /nfs/dbraw/zinc/35/15/07/1027351507.db2.gz TZVQQYRPIVETOM-KRWDZBQOSA-N 1 2 342.439 3.742 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000628143621 1027351521 /nfs/dbraw/zinc/35/15/21/1027351521.db2.gz TZVQQYRPIVETOM-KRWDZBQOSA-N 1 2 342.439 3.742 20 0 EHADLO COc1ccc([C@@H](C)CCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302905413 1027355506 /nfs/dbraw/zinc/35/55/06/1027355506.db2.gz SLLBJZNHVCKBNQ-HNNXBMFYSA-N 1 2 326.444 3.691 20 0 EHADLO COc1ccc([C@@H](C)CCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905413 1027355520 /nfs/dbraw/zinc/35/55/20/1027355520.db2.gz SLLBJZNHVCKBNQ-HNNXBMFYSA-N 1 2 326.444 3.691 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)cc1F ZINC000302912882 1027359454 /nfs/dbraw/zinc/35/94/54/1027359454.db2.gz UHDKAHLTELCUBN-MRXNPFEDSA-N 1 2 348.397 3.545 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)cc1F ZINC000302912882 1027359474 /nfs/dbraw/zinc/35/94/74/1027359474.db2.gz UHDKAHLTELCUBN-MRXNPFEDSA-N 1 2 348.397 3.545 20 0 EHADLO CCc1cccc(C)c1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045952638 1027370310 /nfs/dbraw/zinc/37/03/10/1027370310.db2.gz SBRNEEOTLQVRNF-UHFFFAOYSA-N 1 2 338.455 3.743 20 0 EHADLO CCCOc1cc(OC)ccc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000475484693 1027374105 /nfs/dbraw/zinc/37/41/05/1027374105.db2.gz FEHIAVUPKSGZAS-UHFFFAOYSA-N 1 2 339.395 3.692 20 0 EHADLO COC(=O)c1cc(COc2ccccc2-n2cc[nH+]c2)c(C)s1 ZINC000531792609 1027391896 /nfs/dbraw/zinc/39/18/96/1027391896.db2.gz NBUJDZHDQQQBHZ-UHFFFAOYSA-N 1 2 328.393 3.608 20 0 EHADLO CC[N@H+](Cc1nc(Cn2c3ccccc3nc2C(C)C)no1)C1CC1 ZINC000277857058 1027400124 /nfs/dbraw/zinc/40/01/24/1027400124.db2.gz HEKHLLBYPFTEND-UHFFFAOYSA-N 1 2 339.443 3.575 20 0 EHADLO CC[N@@H+](Cc1nc(Cn2c3ccccc3nc2C(C)C)no1)C1CC1 ZINC000277857058 1027400133 /nfs/dbraw/zinc/40/01/33/1027400133.db2.gz HEKHLLBYPFTEND-UHFFFAOYSA-N 1 2 339.443 3.575 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1cnn(C)c1 ZINC000273400401 1027411279 /nfs/dbraw/zinc/41/12/79/1027411279.db2.gz QVLPUOBJULKQLH-LBPRGKRZSA-N 1 2 346.887 3.972 20 0 EHADLO Cc1ccccc1Nc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)cs1 ZINC000273398750 1027411720 /nfs/dbraw/zinc/41/17/20/1027411720.db2.gz QFWZPWRMXAREEW-ZDUSSCGKSA-N 1 2 327.457 3.779 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccc(O)c2Br)cc1 ZINC000459300716 1027412994 /nfs/dbraw/zinc/41/29/94/1027412994.db2.gz QQCXVCJNESWXBE-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861140 1027451152 /nfs/dbraw/zinc/45/11/52/1027451152.db2.gz UFZJMUINHLASKP-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861140 1027451157 /nfs/dbraw/zinc/45/11/57/1027451157.db2.gz UFZJMUINHLASKP-ZWNOBZJWSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000077739411 1027464661 /nfs/dbraw/zinc/46/46/61/1027464661.db2.gz NHOIEWAYIFTZHS-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CC1([NH2+]Cc2cc(Br)c(O)c(Br)c2)CCC1 ZINC000232795279 1027467472 /nfs/dbraw/zinc/46/74/72/1027467472.db2.gz QNQYOGMWTWFESB-UHFFFAOYSA-N 1 2 349.066 3.949 20 0 EHADLO CC(C)C[C@H](c1nc(Cc2ccc(F)cc2F)no1)n1cc[nH+]c1 ZINC000923822057 1027482416 /nfs/dbraw/zinc/48/24/16/1027482416.db2.gz RDXDNZUSVNVBES-OAHLLOKOSA-N 1 2 332.354 3.771 20 0 EHADLO CCC(CC)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004836 1027494475 /nfs/dbraw/zinc/49/44/75/1027494475.db2.gz IITJSJZVNNVWLS-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO CCC(CC)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004836 1027494482 /nfs/dbraw/zinc/49/44/82/1027494482.db2.gz IITJSJZVNNVWLS-IYBDPMFKSA-N 1 2 347.503 3.854 20 0 EHADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000047579048 1027592381 /nfs/dbraw/zinc/59/23/81/1027592381.db2.gz TZEQBVDZFKBGRQ-QGZVFWFLSA-N 1 2 348.450 3.534 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1)c1ccccc1 ZINC000273773429 1027612787 /nfs/dbraw/zinc/61/27/87/1027612787.db2.gz ZWLVJHAZFPWCGX-ZENOOKHLSA-N 1 2 346.500 3.543 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2n1 ZINC000129937485 1027619684 /nfs/dbraw/zinc/61/96/84/1027619684.db2.gz JMSCVCZOLNIQQY-KSSFIOAISA-N 1 2 349.438 3.855 20 0 EHADLO OC1(C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCCC1 ZINC000487494455 1027624086 /nfs/dbraw/zinc/62/40/86/1027624086.db2.gz VGWNOVAKRBAOGN-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO OC1(C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCCC1 ZINC000487494455 1027624094 /nfs/dbraw/zinc/62/40/94/1027624094.db2.gz VGWNOVAKRBAOGN-OAHLLOKOSA-N 1 2 330.255 3.672 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn3cc(Br)cc(C)c3n2)o1 ZINC000273796782 1027629662 /nfs/dbraw/zinc/62/96/62/1027629662.db2.gz CCNOSKMYYRIXEQ-UHFFFAOYSA-N 1 2 334.217 3.596 20 0 EHADLO COC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cccc(OC)c1 ZINC000657611325 1027638897 /nfs/dbraw/zinc/63/88/97/1027638897.db2.gz CCLRAHSQWOOXHN-LJQANCHMSA-N 1 2 337.423 3.563 20 0 EHADLO COC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cccc(OC)c1 ZINC000657611324 1027639564 /nfs/dbraw/zinc/63/95/64/1027639564.db2.gz CCLRAHSQWOOXHN-IBGZPJMESA-N 1 2 337.423 3.563 20 0 EHADLO Nc1cc(CNc2ncc(C(F)(F)F)cc2-c2ccco2)cc[nH+]1 ZINC001167617079 1027703963 /nfs/dbraw/zinc/70/39/63/1027703963.db2.gz GKVZWIHJOVRIIY-UHFFFAOYSA-N 1 2 334.301 3.950 20 0 EHADLO c1coc(-c2nc(C[NH2+]Cc3ccnn3CC3CCC3)cs2)c1 ZINC000631088788 1027713143 /nfs/dbraw/zinc/71/31/43/1027713143.db2.gz FWQYFWWDKLFJAY-UHFFFAOYSA-N 1 2 328.441 3.690 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000130960267 1027719597 /nfs/dbraw/zinc/71/95/97/1027719597.db2.gz YUZWPUVGTTYXDV-RDTXWAMCSA-N 1 2 344.434 3.641 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459339828 1027733326 /nfs/dbraw/zinc/73/33/26/1027733326.db2.gz MFSGNLHVRYKQER-HNNXBMFYSA-N 1 2 329.831 3.661 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459339828 1027733336 /nfs/dbraw/zinc/73/33/36/1027733336.db2.gz MFSGNLHVRYKQER-HNNXBMFYSA-N 1 2 329.831 3.661 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCc2ccccn2)c[nH+]1 ZINC000153345959 1027735796 /nfs/dbraw/zinc/73/57/96/1027735796.db2.gz MJVDXICGTVQDQR-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO CC(C)c1ncc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)s1 ZINC000342866771 1027737122 /nfs/dbraw/zinc/73/71/22/1027737122.db2.gz YWDLCGDWSJRXPJ-QGZVFWFLSA-N 1 2 329.513 3.625 20 0 EHADLO CC(C)c1ncc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)s1 ZINC000342866771 1027737138 /nfs/dbraw/zinc/73/71/38/1027737138.db2.gz YWDLCGDWSJRXPJ-QGZVFWFLSA-N 1 2 329.513 3.625 20 0 EHADLO CCOc1cc(F)c(Br)cc1NCc1cc[nH+]c(N)c1 ZINC001167618423 1027742724 /nfs/dbraw/zinc/74/27/24/1027742724.db2.gz JGUVWBTYMKFAHE-UHFFFAOYSA-N 1 2 340.196 3.576 20 0 EHADLO CCOC(=O)c1cc2c(ccc(NCc3cc[nH+]c(N)c3)c2C)o1 ZINC001167619412 1027757597 /nfs/dbraw/zinc/75/75/97/1027757597.db2.gz ZJACGOSDSLJBNM-UHFFFAOYSA-N 1 2 325.368 3.507 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000420828716 1027761612 /nfs/dbraw/zinc/76/16/12/1027761612.db2.gz AEAGCRLPOKEVDW-CZUORRHYSA-N 1 2 347.821 3.846 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342870636 1027774801 /nfs/dbraw/zinc/77/48/01/1027774801.db2.gz GVXGKTQWSMMVOX-UHFFFAOYSA-N 1 2 334.822 3.570 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342870636 1027774817 /nfs/dbraw/zinc/77/48/17/1027774817.db2.gz GVXGKTQWSMMVOX-UHFFFAOYSA-N 1 2 334.822 3.570 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H]2Cc2ccccc2C)cc(C)[nH+]1 ZINC000420848264 1027788096 /nfs/dbraw/zinc/78/80/96/1027788096.db2.gz LROHBIPNJDQUDZ-HXUWFJFHSA-N 1 2 337.467 3.924 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)co2)cc1 ZINC000533390672 1027792469 /nfs/dbraw/zinc/79/24/69/1027792469.db2.gz WMJSMWLWKOLBPS-FQEVSTJZSA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@@H]3CO)co2)cc1 ZINC000533390672 1027792488 /nfs/dbraw/zinc/79/24/88/1027792488.db2.gz WMJSMWLWKOLBPS-FQEVSTJZSA-N 1 2 334.419 3.742 20 0 EHADLO COc1ccc([C@@H](NC(=O)NCc2cc(C)[nH+]c(C)c2)C(C)C)cc1 ZINC000420855276 1027797551 /nfs/dbraw/zinc/79/75/51/1027797551.db2.gz WDMSEXDBIAQZOQ-IBGZPJMESA-N 1 2 341.455 3.904 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000420856953 1027802711 /nfs/dbraw/zinc/80/27/11/1027802711.db2.gz YUNPMIWGBUWIEA-IBGZPJMESA-N 1 2 341.430 3.754 20 0 EHADLO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000503442571 1027803646 /nfs/dbraw/zinc/80/36/46/1027803646.db2.gz LGHMKKCTVLKGKC-HOTGVXAUSA-N 1 2 331.485 3.733 20 0 EHADLO COc1ccccc1CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000152480674 1027833727 /nfs/dbraw/zinc/83/37/27/1027833727.db2.gz VYCPZTJCCJHHFV-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO COc1ccccc1CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000152480674 1027833747 /nfs/dbraw/zinc/83/37/47/1027833747.db2.gz VYCPZTJCCJHHFV-UHFFFAOYSA-N 1 2 330.375 3.845 20 0 EHADLO CCC(CC)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000131922782 1027843721 /nfs/dbraw/zinc/84/37/21/1027843721.db2.gz XAEJIMASQMBTKN-AWEZNQCLSA-N 1 2 345.874 3.931 20 0 EHADLO c1cc(C[C@H]2CC[N@H+](Cc3noc(C4CCCCC4)n3)C2)ccn1 ZINC000359864179 1027858048 /nfs/dbraw/zinc/85/80/48/1027858048.db2.gz AFEWGBPWVHMCDE-MRXNPFEDSA-N 1 2 326.444 3.577 20 0 EHADLO c1cc(C[C@H]2CC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)ccn1 ZINC000359864179 1027858067 /nfs/dbraw/zinc/85/80/67/1027858067.db2.gz AFEWGBPWVHMCDE-MRXNPFEDSA-N 1 2 326.444 3.577 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000657662126 1027903770 /nfs/dbraw/zinc/90/37/70/1027903770.db2.gz TVQYRLPSBAMNAU-UHFFFAOYSA-N 1 2 342.443 3.850 20 0 EHADLO CC[C@@H]1C[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@@H](CC)O1 ZINC000420964334 1027932538 /nfs/dbraw/zinc/93/25/38/1027932538.db2.gz WTGHZRFVOROLSY-IAGOWNOFSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503590713 1027934054 /nfs/dbraw/zinc/93/40/54/1027934054.db2.gz BMDJNBLKYQTZSH-GUDVDZBRSA-N 1 2 347.499 3.734 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@H](CC)O1 ZINC000420964656 1027935393 /nfs/dbraw/zinc/93/53/93/1027935393.db2.gz XDIQDQPXYDOZCE-BHYGNILZSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@H](CC)O1 ZINC000420964656 1027935407 /nfs/dbraw/zinc/93/54/07/1027935407.db2.gz XDIQDQPXYDOZCE-BHYGNILZSA-N 1 2 329.444 3.995 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000420941911 1027936356 /nfs/dbraw/zinc/93/63/56/1027936356.db2.gz GFMXEWYYNBASCF-SNVBAGLBSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000420941911 1027936371 /nfs/dbraw/zinc/93/63/71/1027936371.db2.gz GFMXEWYYNBASCF-SNVBAGLBSA-N 1 2 336.304 3.568 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)on1 ZINC000503593678 1027936583 /nfs/dbraw/zinc/93/65/83/1027936583.db2.gz BTZLGDGCLWYCAT-CYBMUJFWSA-N 1 2 345.418 3.539 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)on1 ZINC000503593678 1027936599 /nfs/dbraw/zinc/93/65/99/1027936599.db2.gz BTZLGDGCLWYCAT-CYBMUJFWSA-N 1 2 345.418 3.539 20 0 EHADLO Cc1cc(NC(=O)NCCSc2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000536620003 1027949319 /nfs/dbraw/zinc/94/93/19/1027949319.db2.gz KGEQIZOOMXFCCT-UHFFFAOYSA-N 1 2 335.860 3.688 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000132686469 1027952351 /nfs/dbraw/zinc/95/23/51/1027952351.db2.gz AHFGZAMGWNXJLJ-QGZVFWFLSA-N 1 2 331.504 3.808 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1ccn(CC)n1 ZINC000414488877 1027963471 /nfs/dbraw/zinc/96/34/71/1027963471.db2.gz XXNIWNIMWFRSNW-UHFFFAOYSA-N 1 2 332.467 3.958 20 0 EHADLO COc1cc(SC)ccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455278261 1027972746 /nfs/dbraw/zinc/97/27/46/1027972746.db2.gz WSOVZSMLTRKBFV-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1F ZINC000657674502 1028028577 /nfs/dbraw/zinc/02/85/77/1028028577.db2.gz QGHMSSRBFXDJTQ-UHFFFAOYSA-N 1 2 332.272 3.677 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc(C)[nH+]1 ZINC000421092655 1028077003 /nfs/dbraw/zinc/07/70/03/1028077003.db2.gz HYNOMAWDBFJHMD-CQSZACIVSA-N 1 2 329.366 3.619 20 0 EHADLO CCOCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000133918584 1028082388 /nfs/dbraw/zinc/08/23/88/1028082388.db2.gz UABVPXSILJAIEQ-UHFFFAOYSA-N 1 2 345.418 3.937 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@@H+](CCO[C@H]1CCCCO1)CC2 ZINC000444652253 1028113955 /nfs/dbraw/zinc/11/39/55/1028113955.db2.gz XJVTZUXXLPKQLK-INIZCTEOSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@H+](CCO[C@H]1CCCCO1)CC2 ZINC000444652253 1028113962 /nfs/dbraw/zinc/11/39/62/1028113962.db2.gz XJVTZUXXLPKQLK-INIZCTEOSA-N 1 2 330.255 3.895 20 0 EHADLO CCCCOc1ccc(/C=C\c2nc(C[NH2+]C)no2)cc1OCC ZINC000414501403 1028124519 /nfs/dbraw/zinc/12/45/19/1028124519.db2.gz NIPISYGWQDRBME-NTMALXAHSA-N 1 2 331.416 3.537 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669489 1028139500 /nfs/dbraw/zinc/13/95/00/1028139500.db2.gz DDWYQFRBPLYKPE-MSOLQXFVSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nncn2-c2ccccc2)C1(C)C ZINC000444669489 1028139513 /nfs/dbraw/zinc/13/95/13/1028139513.db2.gz DDWYQFRBPLYKPE-MSOLQXFVSA-N 1 2 342.487 3.683 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1C ZINC000548777963 1028157064 /nfs/dbraw/zinc/15/70/64/1028157064.db2.gz FVKYZNJSUUWZKM-BFYDXBDKSA-N 1 2 341.459 3.520 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ncc[nH]1 ZINC000138912882 1028163815 /nfs/dbraw/zinc/16/38/15/1028163815.db2.gz YNZMBKCKWPZIIC-QMMMGPOBSA-N 1 2 346.175 3.624 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444690950 1028164385 /nfs/dbraw/zinc/16/43/85/1028164385.db2.gz WAYZNJUWNNNUBI-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444690950 1028164388 /nfs/dbraw/zinc/16/43/88/1028164388.db2.gz WAYZNJUWNNNUBI-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444692749 1028166689 /nfs/dbraw/zinc/16/66/89/1028166689.db2.gz NCCBILZROBEVER-GHMZBOCLSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444692749 1028166698 /nfs/dbraw/zinc/16/66/98/1028166698.db2.gz NCCBILZROBEVER-GHMZBOCLSA-N 1 2 334.769 3.941 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444691344 1028166852 /nfs/dbraw/zinc/16/68/52/1028166852.db2.gz YCMVOMPBCJMPOO-UHFFFAOYSA-N 1 2 343.487 3.964 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444691344 1028166862 /nfs/dbraw/zinc/16/68/62/1028166862.db2.gz YCMVOMPBCJMPOO-UHFFFAOYSA-N 1 2 343.487 3.964 20 0 EHADLO c1ccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)ccc2c1 ZINC000277967131 1028208389 /nfs/dbraw/zinc/20/83/89/1028208389.db2.gz GMJGHXCXBTXNCL-ZWKOTPCHSA-N 1 2 335.407 3.816 20 0 EHADLO c1ccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)ccc2c1 ZINC000277967131 1028208404 /nfs/dbraw/zinc/20/84/04/1028208404.db2.gz GMJGHXCXBTXNCL-ZWKOTPCHSA-N 1 2 335.407 3.816 20 0 EHADLO CC1(C)C[N@H+](Cc2nncn2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000444718927 1028211100 /nfs/dbraw/zinc/21/11/00/1028211100.db2.gz XAHKLOJLGJOQMK-AWEZNQCLSA-N 1 2 338.377 3.678 20 0 EHADLO CC1(C)C[N@@H+](Cc2nncn2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000444718927 1028211116 /nfs/dbraw/zinc/21/11/16/1028211116.db2.gz XAHKLOJLGJOQMK-AWEZNQCLSA-N 1 2 338.377 3.678 20 0 EHADLO c1cc(CSCCC2CCOCC2)cc(C[NH+]2CCOCC2)c1 ZINC000421231844 1028214493 /nfs/dbraw/zinc/21/44/93/1028214493.db2.gz XLUGTSQHAPZZEI-UHFFFAOYSA-N 1 2 335.513 3.569 20 0 EHADLO c1cc(CSCCOCC2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000421232378 1028215109 /nfs/dbraw/zinc/21/51/09/1028215109.db2.gz YDWWDOWQDYFILG-UHFFFAOYSA-N 1 2 335.513 3.569 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(-c2ccccc2)cc1 ZINC000135945955 1028225194 /nfs/dbraw/zinc/22/51/94/1028225194.db2.gz VFGHRDUXNOSNQX-JXFKEZNVSA-N 1 2 345.446 3.990 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCc1ccc(F)cc1 ZINC000582916107 1028248256 /nfs/dbraw/zinc/24/82/56/1028248256.db2.gz RCFKSRYLDFAVEN-UHFFFAOYSA-N 1 2 345.462 3.846 20 0 EHADLO Cc1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Br)n1 ZINC001213086274 1028251794 /nfs/dbraw/zinc/25/17/94/1028251794.db2.gz LTIFUEQOKZJCSQ-UHFFFAOYSA-N 1 2 330.189 3.681 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000055052765 1028254613 /nfs/dbraw/zinc/25/46/13/1028254613.db2.gz XSZLIIGWMAAUSK-LJQANCHMSA-N 1 2 326.440 3.556 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000055052765 1028254626 /nfs/dbraw/zinc/25/46/26/1028254626.db2.gz XSZLIIGWMAAUSK-LJQANCHMSA-N 1 2 326.440 3.556 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055055015 1028258306 /nfs/dbraw/zinc/25/83/06/1028258306.db2.gz RYCBTTWCLWSVSZ-GOSISDBHSA-N 1 2 344.455 3.686 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055055015 1028258319 /nfs/dbraw/zinc/25/83/19/1028258319.db2.gz RYCBTTWCLWSVSZ-GOSISDBHSA-N 1 2 344.455 3.686 20 0 EHADLO COc1ccccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000055254710 1028264433 /nfs/dbraw/zinc/26/44/33/1028264433.db2.gz RPTHMCWEEKHNFW-UHFFFAOYSA-N 1 2 341.436 3.523 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC000455492866 1028264856 /nfs/dbraw/zinc/26/48/56/1028264856.db2.gz CBYBRVHPZHHIMV-ZANVPECISA-N 1 2 330.436 3.521 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1C(F)(F)F ZINC000897330302 1028283142 /nfs/dbraw/zinc/28/31/42/1028283142.db2.gz PUZHOFXHVHFWEZ-SNVBAGLBSA-N 1 2 336.766 3.639 20 0 EHADLO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455505525 1028283186 /nfs/dbraw/zinc/28/31/86/1028283186.db2.gz XJPFNEQOARAJIN-PXNSSMCTSA-N 1 2 339.439 3.867 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)Cc2cccc(N(C)C)c2)c(C)[nH+]1 ZINC000455507223 1028285264 /nfs/dbraw/zinc/28/52/64/1028285264.db2.gz YVJFXKCSAYRQLR-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)c(C)[nH+]1 ZINC000455536426 1028314028 /nfs/dbraw/zinc/31/40/28/1028314028.db2.gz VZMJHZRPTJTWPM-YVEFUNNKSA-N 1 2 329.375 3.790 20 0 EHADLO FC(F)(F)c1cccc(C2(c3noc(Cn4cc[nH+]c4)n3)CCC2)c1 ZINC000277983177 1028321785 /nfs/dbraw/zinc/32/17/85/1028321785.db2.gz OGJRUBBLRLINBB-UHFFFAOYSA-N 1 2 348.328 3.803 20 0 EHADLO C[C@@H]1CC=C(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000455543563 1028331304 /nfs/dbraw/zinc/33/13/04/1028331304.db2.gz XRWTXOCYHJQKLW-MRXNPFEDSA-N 1 2 327.472 3.825 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)c1cnnn1C ZINC000926439584 1028341252 /nfs/dbraw/zinc/34/12/52/1028341252.db2.gz JKZYMISUQGFWBJ-RFAUZJTJSA-N 1 2 325.243 3.924 20 0 EHADLO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423308503 1028343590 /nfs/dbraw/zinc/34/35/90/1028343590.db2.gz ONGGTTHNLNPHPG-GOSISDBHSA-N 1 2 345.393 3.512 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1C1CCCC1 ZINC000056831508 1028345910 /nfs/dbraw/zinc/34/59/10/1028345910.db2.gz MARMMLJAZOTWLP-SFHVURJKSA-N 1 2 342.487 3.546 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421400332 1028346093 /nfs/dbraw/zinc/34/60/93/1028346093.db2.gz RXKVAPWIBNVTCD-KRWDZBQOSA-N 1 2 325.836 3.502 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421400332 1028346107 /nfs/dbraw/zinc/34/61/07/1028346107.db2.gz RXKVAPWIBNVTCD-KRWDZBQOSA-N 1 2 325.836 3.502 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC(n2cc[nH+]c2)CC1 ZINC000067150092 1028355608 /nfs/dbraw/zinc/35/56/08/1028355608.db2.gz YYFGUEIBVAIGCL-UHFFFAOYSA-N 1 2 331.485 3.911 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000475615455 1028368008 /nfs/dbraw/zinc/36/80/08/1028368008.db2.gz KRXCWPHLQGMCSE-CRAIPNDOSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000475615455 1028368025 /nfs/dbraw/zinc/36/80/25/1028368025.db2.gz KRXCWPHLQGMCSE-CRAIPNDOSA-N 1 2 339.863 3.509 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000504058893 1028369615 /nfs/dbraw/zinc/36/96/15/1028369615.db2.gz XTWMQBHBKBNUSH-QGZVFWFLSA-N 1 2 342.487 3.947 20 0 EHADLO CCN(CC)C(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000058524713 1028388003 /nfs/dbraw/zinc/38/80/03/1028388003.db2.gz WUHXRIUKSCWZPT-UHFFFAOYSA-N 1 2 337.533 3.521 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000278000525 1028433221 /nfs/dbraw/zinc/43/32/21/1028433221.db2.gz INGQRVAJLSTKJU-RHSMWYFYSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000278000525 1028433230 /nfs/dbraw/zinc/43/32/30/1028433230.db2.gz INGQRVAJLSTKJU-RHSMWYFYSA-N 1 2 339.395 3.717 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000069631239 1028436169 /nfs/dbraw/zinc/43/61/69/1028436169.db2.gz UEOKLXVQWOJPMI-MOPGFXCFSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)c[nH+]1 ZINC000455560904 1028455599 /nfs/dbraw/zinc/45/55/99/1028455599.db2.gz PYWOIIUYYHQACK-UHFFFAOYSA-N 1 2 341.430 3.959 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1Nc1c(F)cccc1F ZINC000548782282 1028503792 /nfs/dbraw/zinc/50/37/92/1028503792.db2.gz QDQHPSNTMJJINK-UHFFFAOYSA-N 1 2 328.322 3.544 20 0 EHADLO CNC(=O)c1cccc(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000072957588 1028529305 /nfs/dbraw/zinc/52/93/05/1028529305.db2.gz BSYXWSHAUQAHAE-UHFFFAOYSA-N 1 2 340.448 3.903 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000072957588 1028529316 /nfs/dbraw/zinc/52/93/16/1028529316.db2.gz BSYXWSHAUQAHAE-UHFFFAOYSA-N 1 2 340.448 3.903 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000421574850 1028568323 /nfs/dbraw/zinc/56/83/23/1028568323.db2.gz HVEDQOYEQGNFGH-ZIAGYGMSSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cn3cc[nH+]c3)c1)[C@H](C)C2 ZINC000504328276 1028571030 /nfs/dbraw/zinc/57/10/30/1028571030.db2.gz ISQXVNQBUFTTOR-IERDGZPVSA-N 1 2 345.446 3.903 20 0 EHADLO C[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1ccc(Cl)cc1 ZINC000195049295 1028572205 /nfs/dbraw/zinc/57/22/05/1028572205.db2.gz HGJQAJZZKHMSLR-GUYCJALGSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(C)=C(c3ccco3)C2)c[nH+]1 ZINC000455574132 1028573382 /nfs/dbraw/zinc/57/33/82/1028573382.db2.gz QEAGSKJJWPJGCS-UHFFFAOYSA-N 1 2 325.412 3.680 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)c2ccc(Br)cc2)cc(C)[nH+]1 ZINC000421579712 1028575887 /nfs/dbraw/zinc/57/58/87/1028575887.db2.gz UXCPMRYSVRMIPS-CYBMUJFWSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(OCC(F)(F)F)c2)cc(C)[nH+]1 ZINC000421581343 1028577998 /nfs/dbraw/zinc/57/79/98/1028577998.db2.gz YEQKNZVMARLSNE-UHFFFAOYSA-N 1 2 338.329 3.570 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1)C(C)C ZINC000073872370 1028584583 /nfs/dbraw/zinc/58/45/83/1028584583.db2.gz UVEJKEGZEVCEAA-GFCCVEGCSA-N 1 2 345.281 3.508 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1)C(C)C ZINC000073872370 1028584592 /nfs/dbraw/zinc/58/45/92/1028584592.db2.gz UVEJKEGZEVCEAA-GFCCVEGCSA-N 1 2 345.281 3.508 20 0 EHADLO COC(=O)C1([NH2+]Cc2cc(C)nc3ccccc23)CCCCCC1 ZINC000502717527 1028593616 /nfs/dbraw/zinc/59/36/16/1028593616.db2.gz BMBOYCAYOVCPBT-UHFFFAOYSA-N 1 2 326.440 3.899 20 0 EHADLO CCN(CCc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523750797 1028603708 /nfs/dbraw/zinc/60/37/08/1028603708.db2.gz JWWDZZQMDPTDCQ-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000074248743 1028604039 /nfs/dbraw/zinc/60/40/39/1028604039.db2.gz FXRZOPUWUKHIHJ-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1F ZINC000523789489 1028605690 /nfs/dbraw/zinc/60/56/90/1028605690.db2.gz PAUDEAHTLPGFLQ-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1F ZINC000523789489 1028605696 /nfs/dbraw/zinc/60/56/96/1028605696.db2.gz PAUDEAHTLPGFLQ-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO Cc1cccc2c1CC[C@@H]2NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523776968 1028612803 /nfs/dbraw/zinc/61/28/03/1028612803.db2.gz YHNYSISWRFZFOE-FQEVSTJZSA-N 1 2 346.434 3.667 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000583041415 1028630052 /nfs/dbraw/zinc/63/00/52/1028630052.db2.gz GFILASPOXVHKNZ-FQEVSTJZSA-N 1 2 337.419 3.786 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000583041415 1028630064 /nfs/dbraw/zinc/63/00/64/1028630064.db2.gz GFILASPOXVHKNZ-FQEVSTJZSA-N 1 2 337.419 3.786 20 0 EHADLO C[C@H]1C[N@H+](Cc2noc(C3CCOCC3)n2)CC[C@H]1c1ccccc1 ZINC000246592405 1028667849 /nfs/dbraw/zinc/66/78/49/1028667849.db2.gz FXGKTAVNIBLMQW-MAUKXSAKSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@H]1C[N@@H+](Cc2noc(C3CCOCC3)n2)CC[C@H]1c1ccccc1 ZINC000246592405 1028667857 /nfs/dbraw/zinc/66/78/57/1028667857.db2.gz FXGKTAVNIBLMQW-MAUKXSAKSA-N 1 2 341.455 3.589 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000728541241 1028676561 /nfs/dbraw/zinc/67/65/61/1028676561.db2.gz FQMCAMUXNGCMER-LJQANCHMSA-N 1 2 339.483 3.977 20 0 EHADLO C[C@H]1CCN(c2ncc(F)c(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000418906741 1028698880 /nfs/dbraw/zinc/69/88/80/1028698880.db2.gz QYBSSFYLZOCKLV-WFASDCNBSA-N 1 2 343.431 3.628 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2C1 ZINC000246915404 1028711665 /nfs/dbraw/zinc/71/16/65/1028711665.db2.gz BOTQGCFKSNJTRC-FMKPAKJESA-N 1 2 343.496 3.793 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079450519 1028732426 /nfs/dbraw/zinc/73/24/26/1028732426.db2.gz CEGNXEADZQIVNA-OALUTQOASA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079450524 1028732702 /nfs/dbraw/zinc/73/27/02/1028732702.db2.gz CEGNXEADZQIVNA-RBUKOAKNSA-N 1 2 340.471 3.699 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2c(F)cccc2F)CCC1 ZINC000421764034 1028772860 /nfs/dbraw/zinc/77/28/60/1028772860.db2.gz SNFQERQUPZBDOA-CYBMUJFWSA-N 1 2 345.393 3.516 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3cc(F)ccc3F)[nH+]c12 ZINC000524012065 1028778476 /nfs/dbraw/zinc/77/84/76/1028778476.db2.gz DLBGEBHZSDBZNU-ZDUSSCGKSA-N 1 2 343.377 3.683 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(OC(F)(F)F)c2)c[nH+]1 ZINC000454365847 1028789771 /nfs/dbraw/zinc/78/97/71/1028789771.db2.gz CDJWAJQMEWDXEC-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)NCc3c[nH+]c(C)cc3C)cc2c1C ZINC000454366392 1028791844 /nfs/dbraw/zinc/79/18/44/1028791844.db2.gz GMMXFLVERXIIFT-UHFFFAOYSA-N 1 2 336.439 3.796 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCc3c2cccc3Cl)c[nH+]1 ZINC000454367877 1028794462 /nfs/dbraw/zinc/79/44/62/1028794462.db2.gz BGOOZDXCCFOGFE-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccncc2Cl)c(OC)c1 ZINC000421820654 1028804590 /nfs/dbraw/zinc/80/45/90/1028804590.db2.gz NEXZBKLZLFRBBW-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO COc1ccc(SCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000421832029 1028820380 /nfs/dbraw/zinc/82/03/80/1028820380.db2.gz MCYAIUAYAFHWSQ-UHFFFAOYSA-N 1 2 329.465 3.820 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000424151913 1028840494 /nfs/dbraw/zinc/84/04/94/1028840494.db2.gz IRGLDMAZWWLALS-UHFFFAOYSA-N 1 2 349.500 3.789 20 0 EHADLO C[C@H]1CCN(Cc2ncc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245566352 1028852360 /nfs/dbraw/zinc/85/23/60/1028852360.db2.gz QPJCZXBYLIDKMV-XHDPSFHLSA-N 1 2 325.243 3.668 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)CCc2cccc(F)c2)c1C ZINC000079835837 1028861663 /nfs/dbraw/zinc/86/16/63/1028861663.db2.gz RCQRGZKAIFTCHS-CYBMUJFWSA-N 1 2 344.430 3.731 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)[nH+]c12 ZINC000524103312 1028864809 /nfs/dbraw/zinc/86/48/09/1028864809.db2.gz URWDAYVSRTYZRM-QUCCMNQESA-N 1 2 347.462 3.713 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)s1 ZINC000424195040 1028880919 /nfs/dbraw/zinc/88/09/19/1028880919.db2.gz BVKQRCRBGVQJSS-GFCCVEGCSA-N 1 2 343.452 3.879 20 0 EHADLO CCn1ncc2ccc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)cc21 ZINC000114252322 1028892457 /nfs/dbraw/zinc/89/24/57/1028892457.db2.gz UVINLWIJTTUIGA-UHFFFAOYSA-N 1 2 345.406 3.803 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2ncc(Br)s2)cc(C)n1 ZINC000421896118 1028913685 /nfs/dbraw/zinc/91/36/85/1028913685.db2.gz ZHSLWBPJXCDQKE-SNVBAGLBSA-N 1 2 326.263 3.768 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475631840 1028943837 /nfs/dbraw/zinc/94/38/37/1028943837.db2.gz PDTBOQOJEMLGCK-HOCLYGCPSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475631840 1028943843 /nfs/dbraw/zinc/94/38/43/1028943843.db2.gz PDTBOQOJEMLGCK-HOCLYGCPSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000123552219 1028951252 /nfs/dbraw/zinc/95/12/52/1028951252.db2.gz ASMWEZRPUVKPMP-JTQLQIEISA-N 1 2 345.752 3.621 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000343071466 1028963501 /nfs/dbraw/zinc/96/35/01/1028963501.db2.gz AOHDUAHJLJPBHZ-RBUKOAKNSA-N 1 2 331.419 3.567 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC(C)(C)Cc2ccccc2)c[nH+]1 ZINC000454514052 1029000909 /nfs/dbraw/zinc/00/09/09/1029000909.db2.gz BOOJDQGDKCZOIX-UHFFFAOYSA-N 1 2 325.456 3.767 20 0 EHADLO O[C@H](C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000249390832 1029001308 /nfs/dbraw/zinc/00/13/08/1029001308.db2.gz RWHDYTHPQDEXFU-QWHCGFSZSA-N 1 2 339.810 3.743 20 0 EHADLO O[C@H](C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000249390832 1029001321 /nfs/dbraw/zinc/00/13/21/1029001321.db2.gz RWHDYTHPQDEXFU-QWHCGFSZSA-N 1 2 339.810 3.743 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC(C)(C)c4ccccc43)[nH+]c12 ZINC000532894904 1029016238 /nfs/dbraw/zinc/01/62/38/1029016238.db2.gz VGNHUKCRTDEKFG-GOSISDBHSA-N 1 2 333.435 3.724 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000076715364 1029036091 /nfs/dbraw/zinc/03/60/91/1029036091.db2.gz RYFSFKODORRHLS-OAHLLOKOSA-N 1 2 329.444 3.622 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809438 1029048116 /nfs/dbraw/zinc/04/81/16/1029048116.db2.gz QSAACJNAJAUUBX-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809438 1029048128 /nfs/dbraw/zinc/04/81/28/1029048128.db2.gz QSAACJNAJAUUBX-JSGCOSHPSA-N 1 2 347.821 3.691 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000666784029 1029071974 /nfs/dbraw/zinc/07/19/74/1029071974.db2.gz KVXGVGRAYOLORJ-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123974196 1029087380 /nfs/dbraw/zinc/08/73/80/1029087380.db2.gz JFUWZWFBQHHPOB-LZLYRXPVSA-N 1 2 343.496 3.615 20 0 EHADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(C4CC4)o3)ccc2NC1=O ZINC000271705793 1029131206 /nfs/dbraw/zinc/13/12/06/1029131206.db2.gz IOCYVCRCTBJUND-NHYWBVRUSA-N 1 2 341.411 3.512 20 0 EHADLO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271707410 1029132716 /nfs/dbraw/zinc/13/27/16/1029132716.db2.gz NSMIMXIWOMHOPJ-UHFFFAOYSA-N 1 2 340.761 3.753 20 0 EHADLO COC1(C)CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000271720179 1029138536 /nfs/dbraw/zinc/13/85/36/1029138536.db2.gz KSSZJOWBRPBFJN-NSHDSACASA-N 1 2 335.473 3.576 20 0 EHADLO Fc1cc(F)c2c(c1)CN(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445804540 1029142290 /nfs/dbraw/zinc/14/22/90/1029142290.db2.gz AMGVSZYVLIKHPX-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000271744081 1029150035 /nfs/dbraw/zinc/15/00/35/1029150035.db2.gz JFUCOFRUWKFADY-JTQLQIEISA-N 1 2 325.311 3.518 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524404752 1029151153 /nfs/dbraw/zinc/15/11/53/1029151153.db2.gz RLSWBQXEUMRQAX-RDJZCZTQSA-N 1 2 332.492 3.904 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1c(F)cccc1F ZINC000271753940 1029154769 /nfs/dbraw/zinc/15/47/69/1029154769.db2.gz LEUMOQNUXGMCEP-GFCCVEGCSA-N 1 2 348.397 3.566 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475634931 1029165692 /nfs/dbraw/zinc/16/56/92/1029165692.db2.gz LVGBBEMTDOMPKL-HOCLYGCPSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475634931 1029165700 /nfs/dbraw/zinc/16/57/00/1029165700.db2.gz LVGBBEMTDOMPKL-HOCLYGCPSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H](C(=O)OCCCCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179242307 1029180518 /nfs/dbraw/zinc/18/05/18/1029180518.db2.gz RHBOIPHPGPFBTG-CYBMUJFWSA-N 1 2 329.362 3.709 20 0 EHADLO C[C@H](C(=O)OCCCCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179242307 1029180541 /nfs/dbraw/zinc/18/05/41/1029180541.db2.gz RHBOIPHPGPFBTG-CYBMUJFWSA-N 1 2 329.362 3.709 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)c1 ZINC000533024854 1029180675 /nfs/dbraw/zinc/18/06/75/1029180675.db2.gz CTSXUQUJUOVMNS-UHFFFAOYSA-N 1 2 346.478 3.877 20 0 EHADLO O=C(CC/C=C/c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000078068957 1029193963 /nfs/dbraw/zinc/19/39/63/1029193963.db2.gz YYNNRMROQGGNPY-ONNFQVAWSA-N 1 2 335.451 3.660 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424638565 1029199421 /nfs/dbraw/zinc/19/94/21/1029199421.db2.gz KJCSTNIZEZBMBK-SJLPKXTDSA-N 1 2 325.456 3.693 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1)[NH+]1CCOCC1 ZINC000424644999 1029207629 /nfs/dbraw/zinc/20/76/29/1029207629.db2.gz NLNWGVULGMPCOT-HYVNUMGLSA-N 1 2 334.435 3.547 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2c(C)cccc2OC(F)F)c[nH+]1 ZINC000454715053 1029220645 /nfs/dbraw/zinc/22/06/45/1029220645.db2.gz UZWIYSXWYUZXCA-UHFFFAOYSA-N 1 2 335.354 3.930 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC2(CCC2)O1 ZINC000583202889 1029241091 /nfs/dbraw/zinc/24/10/91/1029241091.db2.gz WFOGXPXNYHFMAJ-LLVKDONJSA-N 1 2 340.345 3.990 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC2(CCC2)O1 ZINC000583202889 1029241100 /nfs/dbraw/zinc/24/11/00/1029241100.db2.gz WFOGXPXNYHFMAJ-LLVKDONJSA-N 1 2 340.345 3.990 20 0 EHADLO Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1C(F)(F)F ZINC000615014013 1029247409 /nfs/dbraw/zinc/24/74/09/1029247409.db2.gz PMCXTZPJVCZKAC-UHFFFAOYSA-N 1 2 337.345 3.728 20 0 EHADLO CCOc1cc(Cl)ccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454734978 1029248830 /nfs/dbraw/zinc/24/88/30/1029248830.db2.gz ZPOGQSKHRJURIH-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000079851973 1029253103 /nfs/dbraw/zinc/25/31/03/1029253103.db2.gz FPRDURLEOYDWPI-UTKZUKDTSA-N 1 2 339.483 3.654 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)C2CCCC2)c(C)c1 ZINC000533084326 1029262913 /nfs/dbraw/zinc/26/29/13/1029262913.db2.gz ZLROFPKTRVRQLP-LJQANCHMSA-N 1 2 340.471 3.825 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H](C)CO1 ZINC000245776803 1029280235 /nfs/dbraw/zinc/28/02/35/1029280235.db2.gz SVCMJUTYNRRTTM-QFBILLFUSA-N 1 2 327.472 3.909 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)[C@@H](C)CO1 ZINC000245776803 1029280245 /nfs/dbraw/zinc/28/02/45/1029280245.db2.gz SVCMJUTYNRRTTM-QFBILLFUSA-N 1 2 327.472 3.909 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000272038761 1029283589 /nfs/dbraw/zinc/28/35/89/1029283589.db2.gz AFTULCIOBHORMS-RCCFBDPRSA-N 1 2 330.497 3.609 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000285474023 1029288357 /nfs/dbraw/zinc/28/83/57/1029288357.db2.gz HSJUTQYUAZYAKL-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000285474023 1029288375 /nfs/dbraw/zinc/28/83/75/1029288375.db2.gz HSJUTQYUAZYAKL-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000454788241 1029302656 /nfs/dbraw/zinc/30/26/56/1029302656.db2.gz IQYLFOCDWOSIEQ-UHFFFAOYSA-N 1 2 325.412 3.809 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000533718069 1029333005 /nfs/dbraw/zinc/33/30/05/1029333005.db2.gz AWSNXLLUQQXVCN-DLBZAZTESA-N 1 2 332.492 3.668 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1csc(C(C)(C)C)n1 ZINC000524599011 1029353549 /nfs/dbraw/zinc/35/35/49/1029353549.db2.gz WZZVXQDCSKONBW-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1csc(C(C)(C)C)n1 ZINC000524599011 1029353562 /nfs/dbraw/zinc/35/35/62/1029353562.db2.gz WZZVXQDCSKONBW-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO COc1cccc2c1CCCCN2C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000533130504 1029361580 /nfs/dbraw/zinc/36/15/80/1029361580.db2.gz KMZFZXPGCYPDDI-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000248150978 1029361732 /nfs/dbraw/zinc/36/17/32/1029361732.db2.gz JRCIGSOWIPIQGA-UHFFFAOYSA-N 1 2 336.888 3.800 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000248150978 1029361749 /nfs/dbraw/zinc/36/17/49/1029361749.db2.gz JRCIGSOWIPIQGA-UHFFFAOYSA-N 1 2 336.888 3.800 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255694036 1029373709 /nfs/dbraw/zinc/37/37/09/1029373709.db2.gz MMFDLQGKJWUKSV-OCCSQVGLSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255694036 1029373718 /nfs/dbraw/zinc/37/37/18/1029373718.db2.gz MMFDLQGKJWUKSV-OCCSQVGLSA-N 1 2 331.485 3.736 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H](C)OC(C)(C)C1 ZINC000524638627 1029374535 /nfs/dbraw/zinc/37/45/35/1029374535.db2.gz SRRGFQZWSAWHGF-CQSZACIVSA-N 1 2 342.439 3.724 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000245851933 1029381872 /nfs/dbraw/zinc/38/18/72/1029381872.db2.gz BPTXNXFCUWNAAR-WJFTUGDTSA-N 1 2 343.515 3.808 20 0 EHADLO [NH3+][C@@H](c1nc(-c2ccc(F)cc2)no1)c1ccc(Br)cc1 ZINC001212091531 1029390098 /nfs/dbraw/zinc/39/00/98/1029390098.db2.gz YJQNMMOKYQBUDK-CYBMUJFWSA-N 1 2 348.175 3.686 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)C2CCC(C)CC2)nc1-c1ccncc1 ZINC000054513903 1029393599 /nfs/dbraw/zinc/39/35/99/1029393599.db2.gz GPOAJXRUDKMMJB-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)C2CCC(C)CC2)nc1-c1ccncc1 ZINC000054513903 1029393614 /nfs/dbraw/zinc/39/36/14/1029393614.db2.gz GPOAJXRUDKMMJB-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000272282810 1029396615 /nfs/dbraw/zinc/39/66/15/1029396615.db2.gz MXPJIEZXJPBURO-QGZVFWFLSA-N 1 2 337.423 3.625 20 0 EHADLO COc1c(O)cccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000272282810 1029396626 /nfs/dbraw/zinc/39/66/26/1029396626.db2.gz MXPJIEZXJPBURO-QGZVFWFLSA-N 1 2 337.423 3.625 20 0 EHADLO C[C@](O)(C[NH2+][C@@H](CCc1ccccc1)C(F)F)c1cccs1 ZINC000272348568 1029427329 /nfs/dbraw/zinc/42/73/29/1029427329.db2.gz ODVGYLALLHGMRP-YOEHRIQHSA-N 1 2 325.424 3.812 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000454946776 1029486264 /nfs/dbraw/zinc/48/62/64/1029486264.db2.gz UDZNFAATTLYPGC-RHSMWYFYSA-N 1 2 331.485 3.801 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224726 1029491539 /nfs/dbraw/zinc/49/15/39/1029491539.db2.gz GYDKKEHEDRGVPD-JKSUJKDBSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224726 1029491545 /nfs/dbraw/zinc/49/15/45/1029491545.db2.gz GYDKKEHEDRGVPD-JKSUJKDBSA-N 1 2 328.456 3.848 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000446234256 1029515215 /nfs/dbraw/zinc/51/52/15/1029515215.db2.gz CITALYUACZNRGU-UHFFFAOYSA-N 1 2 329.400 3.824 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000524797634 1029516788 /nfs/dbraw/zinc/51/67/88/1029516788.db2.gz MDROSVPIFQTBLC-WBVHZDCISA-N 1 2 344.459 3.754 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434277865 1029538608 /nfs/dbraw/zinc/53/86/08/1029538608.db2.gz RLDOXXSRVQZKDN-UHFFFAOYSA-N 1 2 325.456 3.792 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434277865 1029538622 /nfs/dbraw/zinc/53/86/22/1029538622.db2.gz RLDOXXSRVQZKDN-UHFFFAOYSA-N 1 2 325.456 3.792 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(OC(C)(C)C)cc3)n2)C1 ZINC000272642274 1029547801 /nfs/dbraw/zinc/54/78/01/1029547801.db2.gz LUCNRQBXWBHNNL-MRXNPFEDSA-N 1 2 345.443 3.696 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(OC(C)(C)C)cc3)n2)C1 ZINC000272642274 1029547808 /nfs/dbraw/zinc/54/78/08/1029547808.db2.gz LUCNRQBXWBHNNL-MRXNPFEDSA-N 1 2 345.443 3.696 20 0 EHADLO CO[C@H](CC(C)C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000420483639 1029574484 /nfs/dbraw/zinc/57/44/84/1029574484.db2.gz VTTOIIPESHJECD-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000077441885 1029596177 /nfs/dbraw/zinc/59/61/77/1029596177.db2.gz BPRAXZSVWFRSBB-GFCCVEGCSA-N 1 2 340.254 3.808 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000077441885 1029596186 /nfs/dbraw/zinc/59/61/86/1029596186.db2.gz BPRAXZSVWFRSBB-GFCCVEGCSA-N 1 2 340.254 3.808 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1nc2c(s1)CCCCCC2 ZINC000583301459 1029605488 /nfs/dbraw/zinc/60/54/88/1029605488.db2.gz ITBLIYQUYPKLHD-UHFFFAOYSA-N 1 2 347.488 3.601 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728561882 1029644858 /nfs/dbraw/zinc/64/48/58/1029644858.db2.gz CFUYDLUOTDBWSH-OAHLLOKOSA-N 1 2 334.876 3.889 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728561882 1029644861 /nfs/dbraw/zinc/64/48/61/1029644861.db2.gz CFUYDLUOTDBWSH-OAHLLOKOSA-N 1 2 334.876 3.889 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)c1cnc(C)cn1)CC2 ZINC000428450012 1029743788 /nfs/dbraw/zinc/74/37/88/1029743788.db2.gz XSTXFWGXVJBKMP-HNNXBMFYSA-N 1 2 341.455 3.702 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)c1cnc(C)cn1)CC2 ZINC000428450012 1029743796 /nfs/dbraw/zinc/74/37/96/1029743796.db2.gz XSTXFWGXVJBKMP-HNNXBMFYSA-N 1 2 341.455 3.702 20 0 EHADLO C[C@@H](NC(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000428612509 1029759739 /nfs/dbraw/zinc/75/97/39/1029759739.db2.gz RNNPFRXYUCETLF-BFYDXBDKSA-N 1 2 326.444 3.763 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446730188 1029765048 /nfs/dbraw/zinc/76/50/48/1029765048.db2.gz YQZHHFGGGVXXFJ-VLIAUNLRSA-N 1 2 344.405 3.955 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446730188 1029765060 /nfs/dbraw/zinc/76/50/60/1029765060.db2.gz YQZHHFGGGVXXFJ-VLIAUNLRSA-N 1 2 344.405 3.955 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000026196499 1029786901 /nfs/dbraw/zinc/78/69/01/1029786901.db2.gz FIODPEQGAWCPBD-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000026196499 1029786904 /nfs/dbraw/zinc/78/69/04/1029786904.db2.gz FIODPEQGAWCPBD-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156290260 1029787527 /nfs/dbraw/zinc/78/75/27/1029787527.db2.gz PDBRXHVHEOPGKZ-MRXNPFEDSA-N 1 2 347.418 3.554 20 0 EHADLO CC1=CC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000533762511 1029792870 /nfs/dbraw/zinc/79/28/70/1029792870.db2.gz YDGKNWNUQIFJON-OAHLLOKOSA-N 1 2 333.501 3.849 20 0 EHADLO CC1=CC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000533762511 1029792873 /nfs/dbraw/zinc/79/28/73/1029792873.db2.gz YDGKNWNUQIFJON-OAHLLOKOSA-N 1 2 333.501 3.849 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCc1ccccc1 ZINC000615116481 1029793920 /nfs/dbraw/zinc/79/39/20/1029793920.db2.gz SLJBJPYJPXWICX-LJQANCHMSA-N 1 2 329.415 3.522 20 0 EHADLO COc1cc([C@H](C)Nc2ccc([NH+](C)C)cc2)cc(OC)c1OC ZINC000193202868 1029807022 /nfs/dbraw/zinc/80/70/22/1029807022.db2.gz NBLHUESPQBIHHF-ZDUSSCGKSA-N 1 2 330.428 3.952 20 0 EHADLO Cc1cnc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000428455672 1029820534 /nfs/dbraw/zinc/82/05/34/1029820534.db2.gz TWFCTBVEOBEMKD-HOTGVXAUSA-N 1 2 344.890 3.878 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000428457327 1029846043 /nfs/dbraw/zinc/84/60/43/1029846043.db2.gz WRDYAEXKNBKPPW-UHFFFAOYSA-N 1 2 343.723 3.951 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=CCC(C)(C)CC1 ZINC000455711169 1029857909 /nfs/dbraw/zinc/85/79/09/1029857909.db2.gz BAAUGUKVWBSNOL-UHFFFAOYSA-N 1 2 342.483 3.902 20 0 EHADLO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815595 1029862529 /nfs/dbraw/zinc/86/25/29/1029862529.db2.gz QAVBWNOJXHPLPC-ROUUACIJSA-N 1 2 347.528 3.544 20 0 EHADLO C[C@H](c1ccccc1)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000508578934 1029866617 /nfs/dbraw/zinc/86/66/17/1029866617.db2.gz AFKGUROKLLLDQS-MBOZVWFJSA-N 1 2 349.478 3.906 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000533810151 1029869233 /nfs/dbraw/zinc/86/92/33/1029869233.db2.gz DLIDRCYSHQDXKP-UHFFFAOYSA-N 1 2 328.481 3.659 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533812473 1029870894 /nfs/dbraw/zinc/87/08/94/1029870894.db2.gz YCSRGDYHMUNVCG-SFHVURJKSA-N 1 2 342.508 3.976 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156604688 1029887167 /nfs/dbraw/zinc/88/71/67/1029887167.db2.gz QIUAZNDFKAVZOR-KSSFIOAISA-N 1 2 344.842 3.594 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C2CC2)C1 ZINC000455767621 1029910068 /nfs/dbraw/zinc/91/00/68/1029910068.db2.gz WJNSUEBPMTWCGE-MUYFXNHWSA-N 1 2 349.478 3.691 20 0 EHADLO Clc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)o1 ZINC000508585386 1029913919 /nfs/dbraw/zinc/91/39/19/1029913919.db2.gz BLZZRBCNFLWAPG-UHFFFAOYSA-N 1 2 341.842 3.931 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1OC ZINC000447070976 1029920212 /nfs/dbraw/zinc/92/02/12/1029920212.db2.gz VSEUJIOYTDMXFH-UHFFFAOYSA-N 1 2 331.460 3.747 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1OC ZINC000447070976 1029920228 /nfs/dbraw/zinc/92/02/28/1029920228.db2.gz VSEUJIOYTDMXFH-UHFFFAOYSA-N 1 2 331.460 3.747 20 0 EHADLO Clc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000429714766 1029947937 /nfs/dbraw/zinc/94/79/37/1029947937.db2.gz HBNUYSFXVMNFCD-CQSZACIVSA-N 1 2 326.227 3.932 20 0 EHADLO Clc1ccc(OCC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000429714766 1029947951 /nfs/dbraw/zinc/94/79/51/1029947951.db2.gz HBNUYSFXVMNFCD-CQSZACIVSA-N 1 2 326.227 3.932 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000080302884 1029954738 /nfs/dbraw/zinc/95/47/38/1029954738.db2.gz HNGBIXRMSWXCCQ-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO CSCc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000531881019 1029969275 /nfs/dbraw/zinc/96/92/75/1029969275.db2.gz KWTDJZWBCUIRJF-UHFFFAOYSA-N 1 2 326.425 3.519 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)c2cn[nH]n2)cc1 ZINC000453247474 1029976097 /nfs/dbraw/zinc/97/60/97/1029976097.db2.gz WKHGKPJUQZACCD-UYAOXDASSA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)c2c[nH]nn2)cc1 ZINC000453247474 1029976112 /nfs/dbraw/zinc/97/61/12/1029976112.db2.gz WKHGKPJUQZACCD-UYAOXDASSA-N 1 2 336.414 3.817 20 0 EHADLO O=C(c1cccc(-c2ccoc2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000089776679 1029989739 /nfs/dbraw/zinc/98/97/39/1029989739.db2.gz GTCSNVYGXRZLQU-LJQANCHMSA-N 1 2 334.375 3.635 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000537628719 1030040397 /nfs/dbraw/zinc/04/03/97/1030040397.db2.gz ZDYOQDKZVDRIIM-QFIPXVFZSA-N 1 2 345.446 3.891 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000537628719 1030040413 /nfs/dbraw/zinc/04/04/13/1030040413.db2.gz ZDYOQDKZVDRIIM-QFIPXVFZSA-N 1 2 345.446 3.891 20 0 EHADLO O=C(c1cccc(-c2cscn2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000525713708 1030052045 /nfs/dbraw/zinc/05/20/45/1030052045.db2.gz UDRANQDSXDAZIF-HNNXBMFYSA-N 1 2 338.436 3.553 20 0 EHADLO CC(C)[C@H]1[N@H+](Cc2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC000459793175 1030059923 /nfs/dbraw/zinc/05/99/23/1030059923.db2.gz SZPRVBFMBPSELY-GOSISDBHSA-N 1 2 335.513 3.881 20 0 EHADLO CC(C)[C@H]1[N@@H+](Cc2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC000459793175 1030059943 /nfs/dbraw/zinc/05/99/43/1030059943.db2.gz SZPRVBFMBPSELY-GOSISDBHSA-N 1 2 335.513 3.881 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)c1 ZINC000600628381 1030078307 /nfs/dbraw/zinc/07/83/07/1030078307.db2.gz SRBDDRARBBVHCJ-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)c1 ZINC000600628381 1030078323 /nfs/dbraw/zinc/07/83/23/1030078323.db2.gz SRBDDRARBBVHCJ-HNNXBMFYSA-N 1 2 330.859 3.958 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2CC)s1 ZINC000525787786 1030103635 /nfs/dbraw/zinc/10/36/35/1030103635.db2.gz KWYRTOIKMWUSFN-MRXNPFEDSA-N 1 2 348.537 3.998 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2CC)s1 ZINC000525787786 1030103644 /nfs/dbraw/zinc/10/36/44/1030103644.db2.gz KWYRTOIKMWUSFN-MRXNPFEDSA-N 1 2 348.537 3.998 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000525783648 1030117401 /nfs/dbraw/zinc/11/74/01/1030117401.db2.gz HZQIBVKNJCZBII-UHFFFAOYSA-N 1 2 328.909 3.872 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000525783648 1030117407 /nfs/dbraw/zinc/11/74/07/1030117407.db2.gz HZQIBVKNJCZBII-UHFFFAOYSA-N 1 2 328.909 3.872 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000453349514 1030138002 /nfs/dbraw/zinc/13/80/02/1030138002.db2.gz DEOPVXDYQRCNJV-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000447372610 1030144835 /nfs/dbraw/zinc/14/48/35/1030144835.db2.gz INTUOIKXEFKHCW-KRWDZBQOSA-N 1 2 345.464 3.716 20 0 EHADLO COC(=O)c1sccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000447372610 1030144839 /nfs/dbraw/zinc/14/48/39/1030144839.db2.gz INTUOIKXEFKHCW-KRWDZBQOSA-N 1 2 345.464 3.716 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000481987468 1030149169 /nfs/dbraw/zinc/14/91/69/1030149169.db2.gz BPCFVVOUMOGFSB-SNVBAGLBSA-N 1 2 348.082 3.981 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cc1ncc(Br)cc1Br ZINC000481987468 1030149181 /nfs/dbraw/zinc/14/91/81/1030149181.db2.gz BPCFVVOUMOGFSB-SNVBAGLBSA-N 1 2 348.082 3.981 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000481998377 1030154581 /nfs/dbraw/zinc/15/45/81/1030154581.db2.gz LCKMHCWJEXTADO-ZDUSSCGKSA-N 1 2 329.893 3.612 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000481998377 1030154589 /nfs/dbraw/zinc/15/45/89/1030154589.db2.gz LCKMHCWJEXTADO-ZDUSSCGKSA-N 1 2 329.893 3.612 20 0 EHADLO C[C@H]1CC[C@H](C)[NH+]1Cc1ncc(Br)cc1Br ZINC000482003949 1030157643 /nfs/dbraw/zinc/15/76/43/1030157643.db2.gz GUXRKINNSCJGBS-IUCAKERBSA-N 1 2 348.082 3.979 20 0 EHADLO CC(C)n1cncc1C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000657772261 1030183574 /nfs/dbraw/zinc/18/35/74/1030183574.db2.gz BZZGRNYBQLCOJB-AWEZNQCLSA-N 1 2 328.243 3.594 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000343310016 1030220572 /nfs/dbraw/zinc/22/05/72/1030220572.db2.gz YNVSZRHWPSEYSG-IBGZPJMESA-N 1 2 340.398 3.793 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000343310016 1030220582 /nfs/dbraw/zinc/22/05/82/1030220582.db2.gz YNVSZRHWPSEYSG-IBGZPJMESA-N 1 2 340.398 3.793 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)n1C1CC1 ZINC000091212169 1030242306 /nfs/dbraw/zinc/24/23/06/1030242306.db2.gz NSSFADVKUGBKTK-UHFFFAOYSA-N 1 2 334.423 3.556 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000482261441 1030286854 /nfs/dbraw/zinc/28/68/54/1030286854.db2.gz WVDSXGCUPOMNHP-UHFFFAOYSA-N 1 2 348.830 3.600 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000091704705 1030292392 /nfs/dbraw/zinc/29/23/92/1030292392.db2.gz VPLUPMIJDYQGCI-CGZBRXJRSA-N 1 2 329.488 3.644 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000091704705 1030292397 /nfs/dbraw/zinc/29/23/97/1030292397.db2.gz VPLUPMIJDYQGCI-CGZBRXJRSA-N 1 2 329.488 3.644 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1OC ZINC000526000507 1030337742 /nfs/dbraw/zinc/33/77/42/1030337742.db2.gz KSJWFCYDJWFCRV-CQSZACIVSA-N 1 2 341.455 3.700 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1OC ZINC000526000507 1030337760 /nfs/dbraw/zinc/33/77/60/1030337760.db2.gz KSJWFCYDJWFCRV-CQSZACIVSA-N 1 2 341.455 3.700 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000157190988 1030340135 /nfs/dbraw/zinc/34/01/35/1030340135.db2.gz JZTMEASAMRSVLZ-KSSFIOAISA-N 1 2 336.439 3.705 20 0 EHADLO C[C@@H](C1CC1)n1nccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668015122 1030358621 /nfs/dbraw/zinc/35/86/21/1030358621.db2.gz VGAXXSHSPNVHJL-WMLDXEAASA-N 1 2 349.438 3.738 20 0 EHADLO Clc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1Cl ZINC000121792568 1030395436 /nfs/dbraw/zinc/39/54/36/1030395436.db2.gz YVYRPDQVCYRRQA-UHFFFAOYSA-N 1 2 338.238 3.837 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000453609279 1030398453 /nfs/dbraw/zinc/39/84/53/1030398453.db2.gz IINNIBOOCSVALL-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000453609279 1030398469 /nfs/dbraw/zinc/39/84/69/1030398469.db2.gz IINNIBOOCSVALL-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cc(F)ccc1C[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000526081132 1030404578 /nfs/dbraw/zinc/40/45/78/1030404578.db2.gz PIHRAIITSAWPHV-XMMPIXPASA-N 1 2 342.439 3.828 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3coc4ccccc34)CC2)s1 ZINC000092379644 1030436459 /nfs/dbraw/zinc/43/64/59/1030436459.db2.gz VYCAMANQVYGNCZ-UHFFFAOYSA-N 1 2 340.448 3.761 20 0 EHADLO CCc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)sc1C ZINC000343354649 1030467751 /nfs/dbraw/zinc/46/77/51/1030467751.db2.gz VECQIQYFHIDQFV-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(OC)c1F ZINC000760126460 1030480910 /nfs/dbraw/zinc/48/09/10/1030480910.db2.gz DGCJZQQLSGJJDW-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593817 1030492748 /nfs/dbraw/zinc/49/27/48/1030492748.db2.gz VBPKNQDTNVQKBH-CYBMUJFWSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593817 1030492752 /nfs/dbraw/zinc/49/27/52/1030492752.db2.gz VBPKNQDTNVQKBH-CYBMUJFWSA-N 1 2 331.466 3.773 20 0 EHADLO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1n[nH]cc1Br ZINC000532225747 1030492978 /nfs/dbraw/zinc/49/29/78/1030492978.db2.gz RAKKQRJVCIBCAO-VFZGTOFNSA-N 1 2 338.224 3.725 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823938 1030500978 /nfs/dbraw/zinc/50/09/78/1030500978.db2.gz WZEZXSTZEFFFHV-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823938 1030500985 /nfs/dbraw/zinc/50/09/85/1030500985.db2.gz WZEZXSTZEFFFHV-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1nnc2ccccn21 ZINC000447848214 1030516422 /nfs/dbraw/zinc/51/64/22/1030516422.db2.gz KWZOMDASFGCGPQ-INIZCTEOSA-N 1 2 346.438 3.750 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)cc(C)[nH+]1 ZINC000668072541 1030537542 /nfs/dbraw/zinc/53/75/42/1030537542.db2.gz HZYQSAVUSZVGNX-INIZCTEOSA-N 1 2 347.365 3.807 20 0 EHADLO CCOc1ccccc1C[NH2+][C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000122238265 1030556990 /nfs/dbraw/zinc/55/69/90/1030556990.db2.gz JFWJIHXLMMDPFE-FQEVSTJZSA-N 1 2 340.467 3.785 20 0 EHADLO CCCn1nccc1C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000668079370 1030567671 /nfs/dbraw/zinc/56/76/71/1030567671.db2.gz HPYIIJDRNXVRGT-KRWDZBQOSA-N 1 2 342.487 3.841 20 0 EHADLO CCCn1nccc1C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000668079370 1030567687 /nfs/dbraw/zinc/56/76/87/1030567687.db2.gz HPYIIJDRNXVRGT-KRWDZBQOSA-N 1 2 342.487 3.841 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000093222350 1030572901 /nfs/dbraw/zinc/57/29/01/1030572901.db2.gz VSLZXVZBHWIUMT-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000093222350 1030572919 /nfs/dbraw/zinc/57/29/19/1030572919.db2.gz VSLZXVZBHWIUMT-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000532348160 1030574383 /nfs/dbraw/zinc/57/43/83/1030574383.db2.gz LCQQWYYEAUTTHF-AHIWAGSCSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2nc3ccccc3n2C)c1 ZINC000093363977 1030592278 /nfs/dbraw/zinc/59/22/78/1030592278.db2.gz RGMMXUGHBWSFQW-UHFFFAOYSA-N 1 2 345.450 3.904 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2nc3ccccc3n2C)c1 ZINC000093363977 1030592285 /nfs/dbraw/zinc/59/22/85/1030592285.db2.gz RGMMXUGHBWSFQW-UHFFFAOYSA-N 1 2 345.450 3.904 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1nccs1 ZINC000093399880 1030604962 /nfs/dbraw/zinc/60/49/62/1030604962.db2.gz SISDUPFUOJQRLM-ZDUSSCGKSA-N 1 2 338.436 3.641 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCc1cccs1 ZINC000093418433 1030607500 /nfs/dbraw/zinc/60/75/00/1030607500.db2.gz HAGWGJVHSYZOOC-LSDHHAIUSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1OCc1cccs1 ZINC000093418433 1030607508 /nfs/dbraw/zinc/60/75/08/1030607508.db2.gz HAGWGJVHSYZOOC-LSDHHAIUSA-N 1 2 347.480 3.945 20 0 EHADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)CO1 ZINC000575279129 1030615293 /nfs/dbraw/zinc/61/52/93/1030615293.db2.gz DOPPSIDTDAKLPI-RKDXNWHRSA-N 1 2 325.181 3.726 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000657791498 1030658076 /nfs/dbraw/zinc/65/80/76/1030658076.db2.gz DCLFGDJTSAZMCA-HNNXBMFYSA-N 1 2 349.274 3.946 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+][C@H](CO)c2ccc(F)cc2F)s1 ZINC000657791267 1030673219 /nfs/dbraw/zinc/67/32/19/1030673219.db2.gz CFDXVGVHMTUHLC-CQSZACIVSA-N 1 2 326.412 3.542 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000527243935 1030734427 /nfs/dbraw/zinc/73/44/27/1030734427.db2.gz AWMSRNJQFWHHBI-JKSUJKDBSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000527243935 1030734441 /nfs/dbraw/zinc/73/44/41/1030734441.db2.gz AWMSRNJQFWHHBI-JKSUJKDBSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1cccs1 ZINC000550885922 1030762675 /nfs/dbraw/zinc/76/26/75/1030762675.db2.gz LYDUJQWYBGATLS-MRXNPFEDSA-N 1 2 330.432 3.662 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)c1cccs1 ZINC000550885922 1030762691 /nfs/dbraw/zinc/76/26/91/1030762691.db2.gz LYDUJQWYBGATLS-MRXNPFEDSA-N 1 2 330.432 3.662 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000171440288 1030778439 /nfs/dbraw/zinc/77/84/39/1030778439.db2.gz HGRMSDWFCJJQKD-AWEZNQCLSA-N 1 2 325.387 3.979 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000668150634 1030788337 /nfs/dbraw/zinc/78/83/37/1030788337.db2.gz BNRIXLNGEMIJDU-KSSFIOAISA-N 1 2 345.443 3.519 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000668150634 1030788350 /nfs/dbraw/zinc/78/83/50/1030788350.db2.gz BNRIXLNGEMIJDU-KSSFIOAISA-N 1 2 345.443 3.519 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc(C)c(C(C)(C)C)s2)cc1 ZINC000929193831 1030806982 /nfs/dbraw/zinc/80/69/82/1030806982.db2.gz JUBQFDOSFNBMTP-UHFFFAOYSA-N 1 2 345.512 3.741 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc(C)c(C(C)(C)C)s2)cc1 ZINC000929193831 1030806997 /nfs/dbraw/zinc/80/69/97/1030806997.db2.gz JUBQFDOSFNBMTP-UHFFFAOYSA-N 1 2 345.512 3.741 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)NCc1cccs1 ZINC000482931298 1030824617 /nfs/dbraw/zinc/82/46/17/1030824617.db2.gz SOCZVAJJKSQAEP-KRWDZBQOSA-N 1 2 332.444 3.731 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)NCc1cccs1 ZINC000482931298 1030824647 /nfs/dbraw/zinc/82/46/47/1030824647.db2.gz SOCZVAJJKSQAEP-KRWDZBQOSA-N 1 2 332.444 3.731 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)n(C(C)(C)C)n1 ZINC000172072669 1030828920 /nfs/dbraw/zinc/82/89/20/1030828920.db2.gz KWWKVTDXAHCRCW-HNNXBMFYSA-N 1 2 340.471 3.504 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)n(C(C)(C)C)n1 ZINC000172072669 1030828941 /nfs/dbraw/zinc/82/89/41/1030828941.db2.gz KWWKVTDXAHCRCW-HNNXBMFYSA-N 1 2 340.471 3.504 20 0 EHADLO C[C@@H](CCNc1cccc(CN2CCOCC2)[nH+]1)c1ccccc1 ZINC000194536611 1030842743 /nfs/dbraw/zinc/84/27/43/1030842743.db2.gz CCGNMUZJFUDIFX-KRWDZBQOSA-N 1 2 325.456 3.520 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000172168590 1030843791 /nfs/dbraw/zinc/84/37/91/1030843791.db2.gz KWIFRXXHJCUXRD-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000172168590 1030843810 /nfs/dbraw/zinc/84/38/10/1030843810.db2.gz KWIFRXXHJCUXRD-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1ccc2cc(C[NH2+]Cc3nnc(-c4ccc(F)cc4)[nH]3)ccc2n1 ZINC000527355139 1030845997 /nfs/dbraw/zinc/84/59/97/1030845997.db2.gz BQOLKMAUFHZNJX-UHFFFAOYSA-N 1 2 347.397 3.757 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000668182858 1030883604 /nfs/dbraw/zinc/88/36/04/1030883604.db2.gz PZRHFMNJAWRFES-HOTGVXAUSA-N 1 2 344.430 3.503 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c(OC)c1OC ZINC000537659083 1030889289 /nfs/dbraw/zinc/88/92/89/1030889289.db2.gz SXFBZFACWOFQPC-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c(OC)c1OC ZINC000537659083 1030889311 /nfs/dbraw/zinc/88/93/11/1030889311.db2.gz SXFBZFACWOFQPC-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666039791 1030894281 /nfs/dbraw/zinc/89/42/81/1030894281.db2.gz GLZRJGJGMUGYGC-QZTJIDSGSA-N 1 2 343.446 3.882 20 0 EHADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(C(F)(F)F)CCCCC1 ZINC000668192187 1030909170 /nfs/dbraw/zinc/90/91/70/1030909170.db2.gz WXECZJOMOVRPTC-ZDUSSCGKSA-N 1 2 329.366 3.559 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000483036935 1030920110 /nfs/dbraw/zinc/92/01/10/1030920110.db2.gz PPJSJZWGSOTCIH-AEFFLSMTSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@](C)(OC)CC1 ZINC000483036935 1030920128 /nfs/dbraw/zinc/92/01/28/1030920128.db2.gz PPJSJZWGSOTCIH-AEFFLSMTSA-N 1 2 339.863 3.835 20 0 EHADLO CC(C)c1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000436087063 1030928044 /nfs/dbraw/zinc/92/80/44/1030928044.db2.gz ITNQNNUVFBRIKI-OAHLLOKOSA-N 1 2 326.444 3.955 20 0 EHADLO CSCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172413182 1030944039 /nfs/dbraw/zinc/94/40/39/1030944039.db2.gz LQDILWKYNZTHDN-UHFFFAOYSA-N 1 2 329.469 3.968 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000172732996 1030987661 /nfs/dbraw/zinc/98/76/61/1030987661.db2.gz YJQCOHGLMJNUDZ-NSHDSACASA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000172732996 1030987676 /nfs/dbraw/zinc/98/76/76/1030987676.db2.gz YJQCOHGLMJNUDZ-NSHDSACASA-N 1 2 341.333 3.520 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccnc(C(C)C)n1 ZINC000172809348 1031002021 /nfs/dbraw/zinc/00/20/21/1031002021.db2.gz KVGUPRTYADXOGM-UHFFFAOYSA-N 1 2 339.487 3.738 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000448369784 1031002719 /nfs/dbraw/zinc/00/27/19/1031002719.db2.gz BXFWQSBAIJBRME-UHFFFAOYSA-N 1 2 329.327 3.755 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372502 1031004137 /nfs/dbraw/zinc/00/41/37/1031004137.db2.gz OXBUIXSWWUSYFV-UHIISALHSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372502 1031004154 /nfs/dbraw/zinc/00/41/54/1031004154.db2.gz OXBUIXSWWUSYFV-UHIISALHSA-N 1 2 335.391 3.535 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000061761078 1031042213 /nfs/dbraw/zinc/04/22/13/1031042213.db2.gz VQJQSNADHWZYEU-JKSUJKDBSA-N 1 2 342.405 3.918 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000061761078 1031042230 /nfs/dbraw/zinc/04/22/30/1031042230.db2.gz VQJQSNADHWZYEU-JKSUJKDBSA-N 1 2 342.405 3.918 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cs1 ZINC000173445896 1031090373 /nfs/dbraw/zinc/09/03/73/1031090373.db2.gz VSKVQLHMKBMKQP-UHFFFAOYSA-N 1 2 349.544 3.665 20 0 EHADLO Cc1ccc(C(C)(C)[NH2+]Cc2ncc(Br)cc2F)cn1 ZINC000527689927 1031125751 /nfs/dbraw/zinc/12/57/51/1031125751.db2.gz BWWAGQVCDZKVCD-UHFFFAOYSA-N 1 2 338.224 3.712 20 0 EHADLO COc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000278499503 1031127581 /nfs/dbraw/zinc/12/75/81/1031127581.db2.gz KMKNFLZVKJQGMY-DYVFJYSZSA-N 1 2 342.443 3.624 20 0 EHADLO CC(C)[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000476993278 1031150356 /nfs/dbraw/zinc/15/03/56/1031150356.db2.gz UWEOCCSQOOVTLZ-OAHLLOKOSA-N 1 2 335.245 3.859 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cn1 ZINC000343505291 1031178977 /nfs/dbraw/zinc/17/89/77/1031178977.db2.gz MSGOHWBPZONXLR-YMTOWFKASA-N 1 2 329.202 3.912 20 0 EHADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc2c(c1)CCCO2 ZINC000666974061 1031186764 /nfs/dbraw/zinc/18/67/64/1031186764.db2.gz IJCILVNODLOKJU-CYBMUJFWSA-N 1 2 336.395 3.542 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)s1 ZINC000527741553 1031193022 /nfs/dbraw/zinc/19/30/22/1031193022.db2.gz DXZRJULNASBOFS-JTQLQIEISA-N 1 2 332.395 3.530 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000343515188 1031197194 /nfs/dbraw/zinc/19/71/94/1031197194.db2.gz JOKPYEPAKGGPKF-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000343515188 1031197196 /nfs/dbraw/zinc/19/71/96/1031197196.db2.gz JOKPYEPAKGGPKF-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cs1 ZINC000527746032 1031198229 /nfs/dbraw/zinc/19/82/29/1031198229.db2.gz UOOMDZIYVRKUDI-NSHDSACASA-N 1 2 332.395 3.530 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000483537606 1031216407 /nfs/dbraw/zinc/21/64/07/1031216407.db2.gz OZELLGRUAIHACV-LJQANCHMSA-N 1 2 331.843 3.965 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000483537606 1031216412 /nfs/dbraw/zinc/21/64/12/1031216412.db2.gz OZELLGRUAIHACV-LJQANCHMSA-N 1 2 331.843 3.965 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000483537604 1031217832 /nfs/dbraw/zinc/21/78/32/1031217832.db2.gz OZELLGRUAIHACV-IBGZPJMESA-N 1 2 331.843 3.965 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000483537604 1031217842 /nfs/dbraw/zinc/21/78/42/1031217842.db2.gz OZELLGRUAIHACV-IBGZPJMESA-N 1 2 331.843 3.965 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)CCC2 ZINC000393338957 1031239594 /nfs/dbraw/zinc/23/95/94/1031239594.db2.gz QZTDNQVFYVSPAR-NSHDSACASA-N 1 2 334.261 3.522 20 0 EHADLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc2ccccc2c1 ZINC000116602161 1031252738 /nfs/dbraw/zinc/25/27/38/1031252738.db2.gz WJEYTALJQLMTGK-UHFFFAOYSA-N 1 2 349.415 3.826 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477102932 1031255594 /nfs/dbraw/zinc/25/55/94/1031255594.db2.gz SJJGDZFDRNHLBR-MRXNPFEDSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477102932 1031255607 /nfs/dbraw/zinc/25/56/07/1031255607.db2.gz SJJGDZFDRNHLBR-MRXNPFEDSA-N 1 2 339.483 3.913 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C(F)F)c1 ZINC000583973181 1031282149 /nfs/dbraw/zinc/28/21/49/1031282149.db2.gz OYCWABJIKDQOTM-PBHICJAKSA-N 1 2 335.398 3.650 20 0 EHADLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536152 1031286029 /nfs/dbraw/zinc/28/60/29/1031286029.db2.gz RNZLPFJJNBCLAO-HKUYNNGSSA-N 1 2 345.874 3.542 20 0 EHADLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536152 1031286041 /nfs/dbraw/zinc/28/60/41/1031286041.db2.gz RNZLPFJJNBCLAO-HKUYNNGSSA-N 1 2 345.874 3.542 20 0 EHADLO Cc1cccc(Cl)c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000448591871 1031291867 /nfs/dbraw/zinc/29/18/67/1031291867.db2.gz ZSFWWQNXASVXQJ-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCc1cccc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000551401512 1031299975 /nfs/dbraw/zinc/29/99/75/1031299975.db2.gz JNVFCLOSSCGPCM-UHFFFAOYSA-N 1 2 328.378 3.852 20 0 EHADLO CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175399257 1031303441 /nfs/dbraw/zinc/30/34/41/1031303441.db2.gz WLADKOFMYFYLOC-QGZVFWFLSA-N 1 2 339.370 3.808 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)NCCCCNc3cccc[nH+]3)cc21 ZINC000116752442 1031325272 /nfs/dbraw/zinc/32/52/72/1031325272.db2.gz ILCJCOZQAGPCGK-UHFFFAOYSA-N 1 2 340.402 3.633 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868821 1031349269 /nfs/dbraw/zinc/34/92/69/1031349269.db2.gz MSBLPPHCZYPJHE-LIRRHRJNSA-N 1 2 339.414 3.610 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000448629423 1031349706 /nfs/dbraw/zinc/34/97/06/1031349706.db2.gz HODGPZOBWGRECJ-VQTJNVASSA-N 1 2 349.478 3.882 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527894047 1031388660 /nfs/dbraw/zinc/38/86/60/1031388660.db2.gz PFJKYABPJXQXHG-GJZGRUSLSA-N 1 2 336.439 3.903 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000175850148 1031389618 /nfs/dbraw/zinc/38/96/18/1031389618.db2.gz SQBLECUPVPWCJR-OXQOHEQNSA-N 1 2 346.434 3.775 20 0 EHADLO Cc1ncc(CN2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)s1 ZINC000343561909 1031394680 /nfs/dbraw/zinc/39/46/80/1031394680.db2.gz XKAMAHPTJKGAKQ-GOSISDBHSA-N 1 2 347.915 3.910 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@@H]3CCc4ccc(Cl)cc43)CC2)s1 ZINC000343561909 1031394696 /nfs/dbraw/zinc/39/46/96/1031394696.db2.gz XKAMAHPTJKGAKQ-GOSISDBHSA-N 1 2 347.915 3.910 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000551508206 1031395404 /nfs/dbraw/zinc/39/54/04/1031395404.db2.gz RSEVQDPEODRSCM-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000551508206 1031395414 /nfs/dbraw/zinc/39/54/14/1031395414.db2.gz RSEVQDPEODRSCM-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)n1 ZINC000527921632 1031457634 /nfs/dbraw/zinc/45/76/34/1031457634.db2.gz OUEAJOZZNHEKIG-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)n1 ZINC000527921789 1031458665 /nfs/dbraw/zinc/45/86/65/1031458665.db2.gz QLBIRONZLRBCST-CYBMUJFWSA-N 1 2 341.484 3.505 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cs1 ZINC000527939368 1031462667 /nfs/dbraw/zinc/46/26/67/1031462667.db2.gz OFJOWKXQRAZOKO-PWSUYJOCSA-N 1 2 332.395 3.917 20 0 EHADLO CCS[C@H]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000176780291 1031485032 /nfs/dbraw/zinc/48/50/32/1031485032.db2.gz MTHQTIJVAXCHFM-RDJZCZTQSA-N 1 2 329.469 3.666 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083416135 1031498352 /nfs/dbraw/zinc/49/83/52/1031498352.db2.gz IPSJKTMTUMJVDO-NSHDSACASA-N 1 2 342.892 3.503 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083416135 1031498361 /nfs/dbraw/zinc/49/83/61/1031498361.db2.gz IPSJKTMTUMJVDO-NSHDSACASA-N 1 2 342.892 3.503 20 0 EHADLO CCn1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000177520445 1031551569 /nfs/dbraw/zinc/55/15/69/1031551569.db2.gz VVBUSVZBPDGWKI-DNVCBOLYSA-N 1 2 336.439 3.581 20 0 EHADLO CCCc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000158708261 1031579516 /nfs/dbraw/zinc/57/95/16/1031579516.db2.gz NZAQXBPATCDZKA-MRXNPFEDSA-N 1 2 340.471 3.859 20 0 EHADLO FC(F)(F)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000551708151 1031582675 /nfs/dbraw/zinc/58/26/75/1031582675.db2.gz JSDYAAAFEZOSNS-UHFFFAOYSA-N 1 2 331.363 3.963 20 0 EHADLO C[C@H](CC(=O)N(CCc1ccccc1)C1CCCC1)n1cc[nH+]c1 ZINC000584056416 1031586280 /nfs/dbraw/zinc/58/62/80/1031586280.db2.gz OZDBUSHCRPATIJ-QGZVFWFLSA-N 1 2 325.456 3.848 20 0 EHADLO CCC(C)(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000084317664 1031609939 /nfs/dbraw/zinc/60/99/39/1031609939.db2.gz VIXZNPPCLVTHQO-HZPDHXFCSA-N 1 2 347.503 3.996 20 0 EHADLO Fc1cc2ccoc2c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000904030757 1031636933 /nfs/dbraw/zinc/63/69/33/1031636933.db2.gz YBVDGHGUHXDVEK-UKRRQHHQSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1cc2ccoc2c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000904030757 1031636946 /nfs/dbraw/zinc/63/69/46/1031636946.db2.gz YBVDGHGUHXDVEK-UKRRQHHQSA-N 1 2 343.358 3.548 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCCCC1(F)F ZINC000448773363 1031661151 /nfs/dbraw/zinc/66/11/51/1031661151.db2.gz WZPSRVMPYRBOAJ-ZDUSSCGKSA-N 1 2 343.443 3.893 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508635894 1031672432 /nfs/dbraw/zinc/67/24/32/1031672432.db2.gz ZRWZZOWZUVDAHU-BFQNTYOBSA-N 1 2 342.842 3.551 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508635894 1031672443 /nfs/dbraw/zinc/67/24/43/1031672443.db2.gz ZRWZZOWZUVDAHU-BFQNTYOBSA-N 1 2 342.842 3.551 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1 ZINC000343623214 1031676468 /nfs/dbraw/zinc/67/64/68/1031676468.db2.gz MORSTACHOIYAQO-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1 ZINC000343623214 1031676482 /nfs/dbraw/zinc/67/64/82/1031676482.db2.gz MORSTACHOIYAQO-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC000484553648 1031718007 /nfs/dbraw/zinc/71/80/07/1031718007.db2.gz AVSFZUBFPBOKHI-ICSRJNTNSA-N 1 2 327.399 3.593 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC000484553648 1031718018 /nfs/dbraw/zinc/71/80/18/1031718018.db2.gz AVSFZUBFPBOKHI-ICSRJNTNSA-N 1 2 327.399 3.593 20 0 EHADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528101435 1031724064 /nfs/dbraw/zinc/72/40/64/1031724064.db2.gz RZMQEDSVKBSYGW-OEUWWYETSA-N 1 2 338.411 3.508 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cnn4ccccc34)CCO2)cc1 ZINC000179353863 1031741540 /nfs/dbraw/zinc/74/15/40/1031741540.db2.gz PKQBFZPXNLMOLP-GOSISDBHSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cnn4ccccc34)CCO2)cc1 ZINC000179353863 1031741557 /nfs/dbraw/zinc/74/15/57/1031741557.db2.gz PKQBFZPXNLMOLP-GOSISDBHSA-N 1 2 327.815 3.561 20 0 EHADLO CCO[C@@H](c1noc(-c2ccn3c(C)c[nH+]c3c2)n1)C1CCCC1 ZINC000904139938 1031768837 /nfs/dbraw/zinc/76/88/37/1031768837.db2.gz XIMFQTUTRWQACB-MRXNPFEDSA-N 1 2 326.400 3.961 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000158994837 1031778498 /nfs/dbraw/zinc/77/84/98/1031778498.db2.gz IBTLMPZDCNWTDW-SFHVURJKSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1ccc(O)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000158994837 1031778509 /nfs/dbraw/zinc/77/85/09/1031778509.db2.gz IBTLMPZDCNWTDW-SFHVURJKSA-N 1 2 328.387 3.525 20 0 EHADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000904150835 1031798189 /nfs/dbraw/zinc/79/81/89/1031798189.db2.gz VJRPPYWYPZEANL-HZPDHXFCSA-N 1 2 330.453 3.649 20 0 EHADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000904150835 1031798202 /nfs/dbraw/zinc/79/82/02/1031798202.db2.gz VJRPPYWYPZEANL-HZPDHXFCSA-N 1 2 330.453 3.649 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCO1 ZINC000179867536 1031817273 /nfs/dbraw/zinc/81/72/73/1031817273.db2.gz OEDBXBBQHDKQMV-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCO1 ZINC000179867536 1031817283 /nfs/dbraw/zinc/81/72/83/1031817283.db2.gz OEDBXBBQHDKQMV-AWEZNQCLSA-N 1 2 344.842 3.813 20 0 EHADLO COc1ccc(C[C@@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000180380606 1031847018 /nfs/dbraw/zinc/84/70/18/1031847018.db2.gz TXXBCLZRPLUISI-CYBMUJFWSA-N 1 2 342.439 3.841 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117785576 1031853765 /nfs/dbraw/zinc/85/37/65/1031853765.db2.gz HUJLULBNEQXIFT-IBGZPJMESA-N 1 2 347.418 3.858 20 0 EHADLO CC(C)(C)c1csc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000117791939 1031854803 /nfs/dbraw/zinc/85/48/03/1031854803.db2.gz BJMSDAHARFKGNI-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO CCc1cc(OCC(=O)N(C)Cc2ccccc2)c2ccccc2[nH+]1 ZINC000537749572 1031871026 /nfs/dbraw/zinc/87/10/26/1031871026.db2.gz RGMBWOXHMIYVTP-UHFFFAOYSA-N 1 2 334.419 3.835 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000904263244 1031889817 /nfs/dbraw/zinc/88/98/17/1031889817.db2.gz VHYXLXFJVIKVIL-AWEZNQCLSA-N 1 2 336.395 3.715 20 0 EHADLO Cc1nc(C2CCC2)sc1Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265058 1031893080 /nfs/dbraw/zinc/89/30/80/1031893080.db2.gz FMLTUYUZSISIPB-UHFFFAOYSA-N 1 2 341.440 3.645 20 0 EHADLO Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180714425 1031899995 /nfs/dbraw/zinc/89/99/95/1031899995.db2.gz HCUPOHIGLJDLED-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180714425 1031900007 /nfs/dbraw/zinc/90/00/07/1031900007.db2.gz HCUPOHIGLJDLED-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2cccc([C@H]3CCCOC3)c2)n1 ZINC000904259574 1031904934 /nfs/dbraw/zinc/90/49/34/1031904934.db2.gz GMQHEVZMEXNWRQ-HNNXBMFYSA-N 1 2 336.395 3.583 20 0 EHADLO O=C(Cc1cc2ccccc2s1)NCCCCNc1cccc[nH+]1 ZINC000448910784 1031916517 /nfs/dbraw/zinc/91/65/17/1031916517.db2.gz MEGXXGLASKDMGP-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181103214 1031945578 /nfs/dbraw/zinc/94/55/78/1031945578.db2.gz VXEFXCNYYWSGDT-UHFFFAOYSA-N 1 2 332.492 3.518 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1cn(-c2ccccc2)nn1 ZINC000181339150 1031973725 /nfs/dbraw/zinc/97/37/25/1031973725.db2.gz MGLJNIHMWMZTEM-CHWSQXEVSA-N 1 2 327.819 3.728 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000181648549 1032015143 /nfs/dbraw/zinc/01/51/43/1032015143.db2.gz XJODOVFWHRXPNL-KRWDZBQOSA-N 1 2 326.371 3.958 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000449013220 1032021814 /nfs/dbraw/zinc/02/18/14/1032021814.db2.gz BMSWFQOCYJUOMM-HUUCEWRRSA-N 1 2 336.407 3.842 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000449013220 1032021825 /nfs/dbraw/zinc/02/18/25/1032021825.db2.gz BMSWFQOCYJUOMM-HUUCEWRRSA-N 1 2 336.407 3.842 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000455825154 1032029933 /nfs/dbraw/zinc/02/99/33/1032029933.db2.gz SOAUMOPJCCZYSZ-UHFFFAOYSA-N 1 2 340.427 3.660 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000449019392 1032033326 /nfs/dbraw/zinc/03/33/26/1032033326.db2.gz WBTDHZMDQSTDBI-OAHLLOKOSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000449019392 1032033338 /nfs/dbraw/zinc/03/33/38/1032033338.db2.gz WBTDHZMDQSTDBI-OAHLLOKOSA-N 1 2 349.276 3.706 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(O)c1 ZINC000182048853 1032052999 /nfs/dbraw/zinc/05/29/99/1032052999.db2.gz OZDUCIVCKFTTIS-UHFFFAOYSA-N 1 2 333.391 3.844 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000449010679 1032054590 /nfs/dbraw/zinc/05/45/90/1032054590.db2.gz MOZVIGVYCFEVQO-UHFFFAOYSA-N 1 2 329.465 3.563 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000449010679 1032054606 /nfs/dbraw/zinc/05/46/06/1032054606.db2.gz MOZVIGVYCFEVQO-UHFFFAOYSA-N 1 2 329.465 3.563 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)no1 ZINC000459394403 1032055221 /nfs/dbraw/zinc/05/52/21/1032055221.db2.gz TUURYJCFVGXSPG-UHFFFAOYSA-N 1 2 333.435 3.836 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054920 1033307998 /nfs/dbraw/zinc/30/79/98/1033307998.db2.gz KTBZSOYHPIUCLC-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054920 1033308005 /nfs/dbraw/zinc/30/80/05/1033308005.db2.gz KTBZSOYHPIUCLC-QWRGUYRKSA-N 1 2 334.769 3.860 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057387 1033312120 /nfs/dbraw/zinc/31/21/20/1033312120.db2.gz QNFZZASSRQBHBE-FZMZJTMJSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057387 1033312137 /nfs/dbraw/zinc/31/21/37/1033312137.db2.gz QNFZZASSRQBHBE-FZMZJTMJSA-N 1 2 346.780 3.720 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000529073384 1033343141 /nfs/dbraw/zinc/34/31/41/1033343141.db2.gz DWYJKBLPKUNMKT-HOTGVXAUSA-N 1 2 331.847 3.551 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455947556 1033382329 /nfs/dbraw/zinc/38/23/29/1033382329.db2.gz ORWKJLWVDLOTBK-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO O[C@@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C[C@H]1F ZINC000898187380 1033386523 /nfs/dbraw/zinc/38/65/23/1033386523.db2.gz FSEPPZGHPUSYLC-WJCJLTOMSA-N 1 2 341.426 3.684 20 0 EHADLO O[C@@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C[C@H]1F ZINC000898187380 1033386531 /nfs/dbraw/zinc/38/65/31/1033386531.db2.gz FSEPPZGHPUSYLC-WJCJLTOMSA-N 1 2 341.426 3.684 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000449904240 1033405332 /nfs/dbraw/zinc/40/53/32/1033405332.db2.gz PMIZKQWGELYYEF-VDZJLULYSA-N 1 2 344.499 3.838 20 0 EHADLO O=C(CCc1ccccc1Br)Nc1cccc2[nH+]ccn21 ZINC000460326155 1033429558 /nfs/dbraw/zinc/42/95/58/1033429558.db2.gz RVKSSTKDNXUQBG-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000594543099 1033442081 /nfs/dbraw/zinc/44/20/81/1033442081.db2.gz NNNSHYICLQPYDI-JOCHJYFZSA-N 1 2 345.446 3.838 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ncsc2C(C)C)n1 ZINC000898313015 1033448938 /nfs/dbraw/zinc/44/89/38/1033448938.db2.gz RKRMUAFWVBDHKR-UHFFFAOYSA-N 1 2 338.502 3.817 20 0 EHADLO C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CC(C)C1)Cn1cc[nH+]c1 ZINC000449957559 1033495369 /nfs/dbraw/zinc/49/53/69/1033495369.db2.gz CYQNMACRXDAZSS-HVEKOLDVSA-N 1 2 345.874 3.657 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000594709604 1033500320 /nfs/dbraw/zinc/50/03/20/1033500320.db2.gz NEWDUSNNCPYUQU-LJQANCHMSA-N 1 2 348.849 3.945 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000608159901 1033504554 /nfs/dbraw/zinc/50/45/54/1033504554.db2.gz KKHSNBZSCPSUAZ-OAQYLSRUSA-N 1 2 345.446 3.990 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000449998672 1033549014 /nfs/dbraw/zinc/54/90/14/1033549014.db2.gz YQCFXMVALAYAIY-GBESFXJTSA-N 1 2 341.499 3.583 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC000120273458 1033554116 /nfs/dbraw/zinc/55/41/16/1033554116.db2.gz SEWVZLZAUFWDGG-SJORKVTESA-N 1 2 331.504 3.808 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000106240311 1033559656 /nfs/dbraw/zinc/55/96/56/1033559656.db2.gz JBOZFODOXVHUGL-TUAOUCFPSA-N 1 2 337.876 3.713 20 0 EHADLO FC(F)(F)[C@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000685564874 1033570718 /nfs/dbraw/zinc/57/07/18/1033570718.db2.gz QFXOSURTASZVOL-CQSZACIVSA-N 1 2 332.753 3.558 20 0 EHADLO FC(F)(F)[C@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000685564874 1033570726 /nfs/dbraw/zinc/57/07/26/1033570726.db2.gz QFXOSURTASZVOL-CQSZACIVSA-N 1 2 332.753 3.558 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)c1ccco1 ZINC000608247029 1033570981 /nfs/dbraw/zinc/57/09/81/1033570981.db2.gz HSFBZTFEKLJMSN-MRXNPFEDSA-N 1 2 341.455 3.543 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2cccc(OC3CC3)c2F)s1 ZINC000594971844 1033577449 /nfs/dbraw/zinc/57/74/49/1033577449.db2.gz PXOOOLSTUZQOLE-UHFFFAOYSA-N 1 2 338.473 3.976 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1F ZINC000608314023 1033615299 /nfs/dbraw/zinc/61/52/99/1033615299.db2.gz ZOOPQIIMTHYFDE-NSHDSACASA-N 1 2 330.338 3.538 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3CCCN(C)c4ccccc43)ccc2[nH+]1 ZINC000574886461 1033671876 /nfs/dbraw/zinc/67/18/76/1033671876.db2.gz NHQYXWDCFCXOTO-KRWDZBQOSA-N 1 2 349.438 3.736 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3CCCN(C)c4ccccc43)ccc2[nH+]1 ZINC000574886462 1033672416 /nfs/dbraw/zinc/67/24/16/1033672416.db2.gz NHQYXWDCFCXOTO-QGZVFWFLSA-N 1 2 349.438 3.736 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc[nH]n2)C(C)C)c(Br)c1 ZINC000685647112 1033676710 /nfs/dbraw/zinc/67/67/10/1033676710.db2.gz YNURRDFNTDFUHS-HNNXBMFYSA-N 1 2 338.249 3.668 20 0 EHADLO Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000046796305 1033760806 /nfs/dbraw/zinc/76/08/06/1033760806.db2.gz KSCGIDDBKKQVFF-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000657977845 1033782422 /nfs/dbraw/zinc/78/24/22/1033782422.db2.gz HAJHUEQVEWOIIM-INIZCTEOSA-N 1 2 340.452 3.543 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)OC ZINC000476436394 1033835670 /nfs/dbraw/zinc/83/56/70/1033835670.db2.gz QOINHHZRYBSCNP-MAUKXSAKSA-N 1 2 349.519 3.596 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)OC ZINC000476436394 1033835681 /nfs/dbraw/zinc/83/56/81/1033835681.db2.gz QOINHHZRYBSCNP-MAUKXSAKSA-N 1 2 349.519 3.596 20 0 EHADLO COC(=O)CC1(C[N@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000595519240 1033839523 /nfs/dbraw/zinc/83/95/23/1033839523.db2.gz WBCDVQXFPCPKOK-NSHDSACASA-N 1 2 335.835 3.552 20 0 EHADLO COC(=O)CC1(C[N@@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000595519240 1033839530 /nfs/dbraw/zinc/83/95/30/1033839530.db2.gz WBCDVQXFPCPKOK-NSHDSACASA-N 1 2 335.835 3.552 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000046815410 1033856213 /nfs/dbraw/zinc/85/62/13/1033856213.db2.gz GMAATADOWNXMIA-CHWSQXEVSA-N 1 2 342.443 3.953 20 0 EHADLO C[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608728684 1033867416 /nfs/dbraw/zinc/86/74/16/1033867416.db2.gz LWYPOVRHNSTVOM-JFIYKMOQSA-N 1 2 340.471 3.534 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000608728005 1033868075 /nfs/dbraw/zinc/86/80/75/1033868075.db2.gz ZGLYHRNLFTZUBD-SOLBZPMBSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(C)c1 ZINC000450194854 1033876091 /nfs/dbraw/zinc/87/60/91/1033876091.db2.gz IGQIBCVAXDJMOP-XEYPJELSSA-N 1 2 337.467 3.794 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000575192216 1033885713 /nfs/dbraw/zinc/88/57/13/1033885713.db2.gz KFQBYOAHYMGWHR-HNNXBMFYSA-N 1 2 348.516 3.560 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000055089956 1033920655 /nfs/dbraw/zinc/92/06/55/1033920655.db2.gz CBIZHYRATODJND-FQEVSTJZSA-N 1 2 348.450 3.973 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3ccn(CC(F)(F)F)n3)CC2)cc1 ZINC000450219944 1033927109 /nfs/dbraw/zinc/92/71/09/1033927109.db2.gz GACZFDPKPHEBIN-UHFFFAOYSA-N 1 2 339.336 3.874 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)CC2)cc1 ZINC000450219944 1033927116 /nfs/dbraw/zinc/92/71/16/1033927116.db2.gz GACZFDPKPHEBIN-UHFFFAOYSA-N 1 2 339.336 3.874 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2cccnc2N2CCCC2)c2ccccn2)cc1 ZINC000658103975 1033949989 /nfs/dbraw/zinc/94/99/89/1033949989.db2.gz NIHZVBFDCLWSOF-NRFANRHFSA-N 1 2 344.462 3.956 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000658120234 1033979788 /nfs/dbraw/zinc/97/97/88/1033979788.db2.gz TVXKTWRNJVKRPZ-SFHVURJKSA-N 1 2 329.444 3.838 20 0 EHADLO Cc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000605575472 1033989218 /nfs/dbraw/zinc/98/92/18/1033989218.db2.gz DQRPTVOFRAZLAC-GHMZBOCLSA-N 1 2 326.284 3.953 20 0 EHADLO C[C@@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039220 1033990310 /nfs/dbraw/zinc/99/03/10/1033990310.db2.gz ZMUUNASWXSXUCW-CABCVRRESA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039220 1033990320 /nfs/dbraw/zinc/99/03/20/1033990320.db2.gz ZMUUNASWXSXUCW-CABCVRRESA-N 1 2 329.419 3.517 20 0 EHADLO CN(C)C(=O)CCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450275408 1034004142 /nfs/dbraw/zinc/00/41/42/1034004142.db2.gz MJLFXWJFGJOAQL-UHFFFAOYSA-N 1 2 325.334 3.534 20 0 EHADLO Cc1cccc(-c2nc(CC(=O)Nc3ccc4[nH+]ccn4c3)cs2)c1 ZINC000603882809 1034005638 /nfs/dbraw/zinc/00/56/38/1034005638.db2.gz YPZNSSLQTYVQML-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4[nH+]ccn4c3)cc2F)n1 ZINC000603882702 1034007059 /nfs/dbraw/zinc/00/70/59/1034007059.db2.gz VXZMSLPULZPDJA-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO CCCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603882909 1034007826 /nfs/dbraw/zinc/00/78/26/1034007826.db2.gz ZYVBCUPKKKDNFK-UHFFFAOYSA-N 1 2 335.407 3.888 20 0 EHADLO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1OCC(C)C ZINC000603886073 1034008638 /nfs/dbraw/zinc/00/86/38/1034008638.db2.gz WQWBCYBNLGJKNN-UHFFFAOYSA-N 1 2 339.395 3.630 20 0 EHADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000595863288 1034011528 /nfs/dbraw/zinc/01/15/28/1034011528.db2.gz MQONISWGIITCTP-RFSCMCKOSA-N 1 2 341.373 3.880 20 0 EHADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000595863288 1034011540 /nfs/dbraw/zinc/01/15/40/1034011540.db2.gz MQONISWGIITCTP-RFSCMCKOSA-N 1 2 341.373 3.880 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](CCC(C)C)c2ccc(Cl)cc2)n1 ZINC000658159940 1034016660 /nfs/dbraw/zinc/01/66/60/1034016660.db2.gz ULTQEPWYMAAFSM-OAHLLOKOSA-N 1 2 336.867 3.872 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000456003944 1034016702 /nfs/dbraw/zinc/01/67/02/1034016702.db2.gz FILIVCZWRPURLG-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2csc(Nc3ccccc3)n2)cc1 ZINC000612102102 1034021948 /nfs/dbraw/zinc/02/19/48/1034021948.db2.gz KNEPVJTUXSRXEU-UHFFFAOYSA-N 1 2 339.464 3.949 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2csc(Nc3ccccc3)n2)cc1 ZINC000612102102 1034021959 /nfs/dbraw/zinc/02/19/59/1034021959.db2.gz KNEPVJTUXSRXEU-UHFFFAOYSA-N 1 2 339.464 3.949 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(C3CCCCC3)cc2)n1 ZINC000658162903 1034023320 /nfs/dbraw/zinc/02/33/20/1034023320.db2.gz XKFFWYVCAWFAGD-AWEZNQCLSA-N 1 2 328.460 3.850 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000537608046 1034030445 /nfs/dbraw/zinc/03/04/45/1034030445.db2.gz ULBPBPHLFBYHJA-HXUWFJFHSA-N 1 2 344.418 3.559 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000120700145 1034033847 /nfs/dbraw/zinc/03/38/47/1034033847.db2.gz BJLYHUHOGLOKFG-INIZCTEOSA-N 1 2 339.483 3.813 20 0 EHADLO CO[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450305501 1034060176 /nfs/dbraw/zinc/06/01/76/1034060176.db2.gz ATCOQIWWFVPAAS-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccccc2OC2CCCC2)c1 ZINC000596081725 1034074281 /nfs/dbraw/zinc/07/42/81/1034074281.db2.gz JOQREVJFAVPFFB-UHFFFAOYSA-N 1 2 340.423 3.731 20 0 EHADLO CCC(CC)(CC)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870335 1034084895 /nfs/dbraw/zinc/08/48/95/1034084895.db2.gz MAIJLJCYUBHYEG-KRWDZBQOSA-N 1 2 342.487 3.972 20 0 EHADLO Cc1ccc2cccc(NC(=O)NCC[NH+]3Cc4ccccc4C3)c2n1 ZINC000603972986 1034107964 /nfs/dbraw/zinc/10/79/64/1034107964.db2.gz WSQPNDNFEYGPGC-UHFFFAOYSA-N 1 2 346.434 3.681 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000596156004 1034111755 /nfs/dbraw/zinc/11/17/55/1034111755.db2.gz YDVHYQORJNSOON-UHFFFAOYSA-N 1 2 342.826 3.744 20 0 EHADLO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000529529690 1034114147 /nfs/dbraw/zinc/11/41/47/1034114147.db2.gz CCEOKNCPDQVQQF-SNVBAGLBSA-N 1 2 344.406 3.936 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(C3CCCC3)n2)[C@@H](C)C1 ZINC000599687632 1034115132 /nfs/dbraw/zinc/11/51/32/1034115132.db2.gz DQVQAQYGMOMXFQ-AGGWBTHJSA-N 1 2 336.501 3.963 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc(C3CCCC3)n2)[C@@H](C)C1 ZINC000599687632 1034115138 /nfs/dbraw/zinc/11/51/38/1034115138.db2.gz DQVQAQYGMOMXFQ-AGGWBTHJSA-N 1 2 336.501 3.963 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000119243804 1034121241 /nfs/dbraw/zinc/12/12/41/1034121241.db2.gz YXQPDQQLLTVLKU-OAHLLOKOSA-N 1 2 342.439 3.520 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000119243804 1034121249 /nfs/dbraw/zinc/12/12/49/1034121249.db2.gz YXQPDQQLLTVLKU-OAHLLOKOSA-N 1 2 342.439 3.520 20 0 EHADLO Clc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1-c1ccccc1 ZINC000529541529 1034144835 /nfs/dbraw/zinc/14/48/35/1034144835.db2.gz INXQQKFXBPWGEG-HXUWFJFHSA-N 1 2 343.854 3.998 20 0 EHADLO Clc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1-c1ccccc1 ZINC000529541529 1034144841 /nfs/dbraw/zinc/14/48/41/1034144841.db2.gz INXQQKFXBPWGEG-HXUWFJFHSA-N 1 2 343.854 3.998 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CCO2)ccc1F ZINC000537616093 1034156771 /nfs/dbraw/zinc/15/67/71/1034156771.db2.gz WGIMBLDNUCPWGX-IBGZPJMESA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CCO2)ccc1F ZINC000537616093 1034156774 /nfs/dbraw/zinc/15/67/74/1034156774.db2.gz WGIMBLDNUCPWGX-IBGZPJMESA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CCO2)ccc1F ZINC000537616093 1034156777 /nfs/dbraw/zinc/15/67/77/1034156777.db2.gz WGIMBLDNUCPWGX-IBGZPJMESA-N 1 2 325.387 3.584 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CCO2)ccc1F ZINC000537616093 1034156783 /nfs/dbraw/zinc/15/67/83/1034156783.db2.gz WGIMBLDNUCPWGX-IBGZPJMESA-N 1 2 325.387 3.584 20 0 EHADLO O=C(OCc1ncc(C2CC2)o1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000760523174 1034172596 /nfs/dbraw/zinc/17/25/96/1034172596.db2.gz WXBISYPPVNJLKM-QGZVFWFLSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1ncc(C2CC2)o1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000760523174 1034172612 /nfs/dbraw/zinc/17/26/12/1034172612.db2.gz WXBISYPPVNJLKM-QGZVFWFLSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120823837 1034177457 /nfs/dbraw/zinc/17/74/57/1034177457.db2.gz PZKFDPQSFJWFDY-HNNXBMFYSA-N 1 2 348.855 3.507 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120834854 1034180856 /nfs/dbraw/zinc/18/08/56/1034180856.db2.gz NKACLLWBPKTVES-CABCVRRESA-N 1 2 329.469 3.564 20 0 EHADLO Cc1cn2c(C[NH2+]Cc3cc(-c4ccccc4)on3)c(C)nc2s1 ZINC000237920921 1034191826 /nfs/dbraw/zinc/19/18/26/1034191826.db2.gz MOUOXXOSKPOQMP-UHFFFAOYSA-N 1 2 338.436 3.957 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(F)(F)C(C)(C)C)cc1 ZINC000658337110 1034209534 /nfs/dbraw/zinc/20/95/34/1034209534.db2.gz NPGFYWBMNAAPKV-GFCCVEGCSA-N 1 2 348.459 3.780 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCCO1 ZINC000529581899 1034215571 /nfs/dbraw/zinc/21/55/71/1034215571.db2.gz HQOQZIMRABYWMM-AWEZNQCLSA-N 1 2 347.684 3.744 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCCO1 ZINC000529581899 1034215559 /nfs/dbraw/zinc/21/55/59/1034215559.db2.gz HQOQZIMRABYWMM-AWEZNQCLSA-N 1 2 347.684 3.744 20 0 EHADLO CC(C)C1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000119642514 1034216383 /nfs/dbraw/zinc/21/63/83/1034216383.db2.gz XRJMSGCXADNEMQ-UHFFFAOYSA-N 1 2 325.456 3.876 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000119752077 1034238766 /nfs/dbraw/zinc/23/87/66/1034238766.db2.gz OKNGMFPYEPSAHT-ROUUACIJSA-N 1 2 329.488 3.797 20 0 EHADLO C[C@H]1COCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450406225 1034286639 /nfs/dbraw/zinc/28/66/39/1034286639.db2.gz PXAJURHDMZFGCM-SNVBAGLBSA-N 1 2 339.208 3.609 20 0 EHADLO Cc1nnc(CNc2cc[nH+]c3cc(F)c(Cl)cc23)n1C1CC1 ZINC000450428000 1034297945 /nfs/dbraw/zinc/29/79/45/1034297945.db2.gz UQSYCSGHNWSOGW-UHFFFAOYSA-N 1 2 331.782 3.874 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000121005697 1034346882 /nfs/dbraw/zinc/34/68/82/1034346882.db2.gz BRASQMAUVSHYFY-OAHLLOKOSA-N 1 2 345.512 3.884 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000121005697 1034346894 /nfs/dbraw/zinc/34/68/94/1034346894.db2.gz BRASQMAUVSHYFY-OAHLLOKOSA-N 1 2 345.512 3.884 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000534299244 1034357359 /nfs/dbraw/zinc/35/73/59/1034357359.db2.gz CQFLWHVXMFWKBK-GJZGRUSLSA-N 1 2 334.341 3.881 20 0 EHADLO Cc1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)c(C)c[nH+]1 ZINC000534299403 1034359334 /nfs/dbraw/zinc/35/93/34/1034359334.db2.gz KUXDMSTYURXRQA-HXUWFJFHSA-N 1 2 332.403 3.879 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456381915 1034376230 /nfs/dbraw/zinc/37/62/30/1034376230.db2.gz ONZKBQYUUCAEIQ-QAPCUYQASA-N 1 2 343.858 3.853 20 0 EHADLO c1cc(OCC2CC2)ccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665154 1034389345 /nfs/dbraw/zinc/38/93/45/1034389345.db2.gz KTOFFJQAWGKOAF-UHFFFAOYSA-N 1 2 335.451 3.701 20 0 EHADLO c1cc(OCC2CC2)ccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665154 1034389358 /nfs/dbraw/zinc/38/93/58/1034389358.db2.gz KTOFFJQAWGKOAF-UHFFFAOYSA-N 1 2 335.451 3.701 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456395720 1034396629 /nfs/dbraw/zinc/39/66/29/1034396629.db2.gz ZZBHZSRDPVGIHL-KRWDZBQOSA-N 1 2 331.847 3.760 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599226 1034420236 /nfs/dbraw/zinc/42/02/36/1034420236.db2.gz BDLWBVLOMKPKIN-UHFFFAOYSA-N 1 2 348.450 3.994 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000529696567 1034440944 /nfs/dbraw/zinc/44/09/44/1034440944.db2.gz KMGLUVGAHJGBCN-ZDUSSCGKSA-N 1 2 349.837 3.927 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC(C)C ZINC000121183434 1034490640 /nfs/dbraw/zinc/49/06/40/1034490640.db2.gz PKCQXRDYGBCTCL-MRXNPFEDSA-N 1 2 329.444 3.585 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC(C)C ZINC000121183434 1034490647 /nfs/dbraw/zinc/49/06/47/1034490647.db2.gz PKCQXRDYGBCTCL-MRXNPFEDSA-N 1 2 329.444 3.585 20 0 EHADLO C[C@H](O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547986 1034506100 /nfs/dbraw/zinc/50/61/00/1034506100.db2.gz GBDLDROPQXHMQZ-XHDPSFHLSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547986 1034506111 /nfs/dbraw/zinc/50/61/11/1034506111.db2.gz GBDLDROPQXHMQZ-XHDPSFHLSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC=C(C)CC2)c(C)c1 ZINC000534442053 1034544871 /nfs/dbraw/zinc/54/48/71/1034544871.db2.gz VLQKNXPNPBIHQR-LJQANCHMSA-N 1 2 338.455 3.603 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1C ZINC000597143165 1034559789 /nfs/dbraw/zinc/55/97/89/1034559789.db2.gz DQCNKDUHAAYVEJ-LBPRGKRZSA-N 1 2 339.313 3.569 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000604997465 1034583090 /nfs/dbraw/zinc/58/30/90/1034583090.db2.gz ZGWHUXPENBAOCX-UHFFFAOYSA-N 1 2 340.442 3.655 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121261207 1034604895 /nfs/dbraw/zinc/60/48/95/1034604895.db2.gz BMITXNUIYIAHHU-BEFAXECRSA-N 1 2 340.423 3.552 20 0 EHADLO O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000605085175 1034622842 /nfs/dbraw/zinc/62/28/42/1034622842.db2.gz SCWDTRQZCRPMEC-MRXNPFEDSA-N 1 2 345.324 3.906 20 0 EHADLO C/C(=C\C(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000171807498 1034640491 /nfs/dbraw/zinc/64/04/91/1034640491.db2.gz ZTMIJTDDHKNGTH-FYWRMAATSA-N 1 2 327.403 3.633 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528861 1034647436 /nfs/dbraw/zinc/64/74/36/1034647436.db2.gz WEILJBQKLONHDO-KZNAEPCWSA-N 1 2 347.528 3.544 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000450667041 1034666342 /nfs/dbraw/zinc/66/63/42/1034666342.db2.gz UVCHWNSMXSZQMR-AWEZNQCLSA-N 1 2 349.356 3.550 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000177151375 1034700116 /nfs/dbraw/zinc/70/01/16/1034700116.db2.gz FTGXZWGVIXWQNA-BLLLJJGKSA-N 1 2 334.464 3.922 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000177151375 1034700129 /nfs/dbraw/zinc/70/01/29/1034700129.db2.gz FTGXZWGVIXWQNA-BLLLJJGKSA-N 1 2 334.464 3.922 20 0 EHADLO CCOc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(F)c1 ZINC000636039637 1034724681 /nfs/dbraw/zinc/72/46/81/1034724681.db2.gz AETIJDFWNNUDDL-CYBMUJFWSA-N 1 2 345.296 3.553 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000450714382 1034726062 /nfs/dbraw/zinc/72/60/62/1034726062.db2.gz LFSMVMGRBXNKSG-LRDDRELGSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000450714382 1034726077 /nfs/dbraw/zinc/72/60/77/1034726077.db2.gz LFSMVMGRBXNKSG-LRDDRELGSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000450714380 1034727355 /nfs/dbraw/zinc/72/73/55/1034727355.db2.gz LFSMVMGRBXNKSG-BLLLJJGKSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000450714380 1034727367 /nfs/dbraw/zinc/72/73/67/1034727367.db2.gz LFSMVMGRBXNKSG-BLLLJJGKSA-N 1 2 346.452 3.521 20 0 EHADLO COc1cccc(C2(C(=O)NCc3c[nH+]c(C)cc3C)CCCC2)c1 ZINC000456844731 1034763073 /nfs/dbraw/zinc/76/30/73/1034763073.db2.gz RYERYUNUTZGCQF-UHFFFAOYSA-N 1 2 338.451 3.835 20 0 EHADLO Cc1ccc(O)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000529927066 1034780361 /nfs/dbraw/zinc/78/03/61/1034780361.db2.gz WQXXMOXUYQWJFC-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(O)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000529927066 1034780372 /nfs/dbraw/zinc/78/03/72/1034780372.db2.gz WQXXMOXUYQWJFC-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO Fc1cc2c(c(F)c1F)[C@H](Nc1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000450833640 1034840320 /nfs/dbraw/zinc/84/03/20/1034840320.db2.gz KOYJCWUMSLLIBA-GFCCVEGCSA-N 1 2 334.345 3.594 20 0 EHADLO Fc1cc2c(c(F)c1F)[C@H](Nc1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000450833640 1034840333 /nfs/dbraw/zinc/84/03/33/1034840333.db2.gz KOYJCWUMSLLIBA-GFCCVEGCSA-N 1 2 334.345 3.594 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCOCCc2ccccc2)o1 ZINC000605901378 1034840768 /nfs/dbraw/zinc/84/07/68/1034840768.db2.gz JFHMCEACAGHYGV-HXUWFJFHSA-N 1 2 343.467 3.865 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCCOCCc2ccccc2)o1 ZINC000605901378 1034840772 /nfs/dbraw/zinc/84/07/72/1034840772.db2.gz JFHMCEACAGHYGV-HXUWFJFHSA-N 1 2 343.467 3.865 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000375922234 1034928602 /nfs/dbraw/zinc/92/86/02/1034928602.db2.gz YMGZVJNYIWOYPI-INIZCTEOSA-N 1 2 330.403 3.872 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000375922234 1034928606 /nfs/dbraw/zinc/92/86/06/1034928606.db2.gz YMGZVJNYIWOYPI-INIZCTEOSA-N 1 2 330.403 3.872 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)O1 ZINC000450913862 1034940269 /nfs/dbraw/zinc/94/02/69/1034940269.db2.gz ZWYVKTCCLANSIW-KRWDZBQOSA-N 1 2 335.407 3.744 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)O1 ZINC000450913862 1034940289 /nfs/dbraw/zinc/94/02/89/1034940289.db2.gz ZWYVKTCCLANSIW-KRWDZBQOSA-N 1 2 335.407 3.744 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)o1 ZINC000450913862 1034940304 /nfs/dbraw/zinc/94/03/04/1034940304.db2.gz ZWYVKTCCLANSIW-KRWDZBQOSA-N 1 2 335.407 3.744 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)o1 ZINC000450913862 1034940316 /nfs/dbraw/zinc/94/03/16/1034940316.db2.gz ZWYVKTCCLANSIW-KRWDZBQOSA-N 1 2 335.407 3.744 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000375940853 1034976889 /nfs/dbraw/zinc/97/68/89/1034976889.db2.gz IMKVIOMORHPNHX-GFCCVEGCSA-N 1 2 343.427 3.794 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)n1 ZINC000450984190 1035013294 /nfs/dbraw/zinc/01/32/94/1035013294.db2.gz UYMGWDOZTVHDJK-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2)n1 ZINC000450984190 1035013300 /nfs/dbraw/zinc/01/33/00/1035013300.db2.gz UYMGWDOZTVHDJK-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1C ZINC000451023886 1035020122 /nfs/dbraw/zinc/02/01/22/1035020122.db2.gz MBRPVMKNFDAGRW-GOSISDBHSA-N 1 2 349.478 3.665 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1C ZINC000451023886 1035020130 /nfs/dbraw/zinc/02/01/30/1035020130.db2.gz MBRPVMKNFDAGRW-GOSISDBHSA-N 1 2 349.478 3.665 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612517004 1035024447 /nfs/dbraw/zinc/02/44/47/1035024447.db2.gz FQRHFNJHWLMLPN-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2cccc(Cl)c2nc1C ZINC001625883660 1035085017 /nfs/dbraw/zinc/08/50/17/1035085017.db2.gz AOWLKHNIGXLBTP-UHFFFAOYSA-N 1 2 325.799 3.883 20 0 EHADLO COc1ccccc1Cc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000570198673 1035125935 /nfs/dbraw/zinc/12/59/35/1035125935.db2.gz HOBQYXWYNKIILS-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO CC1(C)C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)c2ccccc21 ZINC000431678383 1035200295 /nfs/dbraw/zinc/20/02/95/1035200295.db2.gz IILIAZWLTUEJNJ-QGZVFWFLSA-N 1 2 338.455 3.605 20 0 EHADLO O=C(CCc1ccc(Cl)c(Cl)c1)NCCNc1cccc[nH+]1 ZINC000511391816 1035281248 /nfs/dbraw/zinc/28/12/48/1035281248.db2.gz QOYGEWOOCKNLEH-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCc2ccccc2-c2ccccc21 ZINC000413961673 1035291783 /nfs/dbraw/zinc/29/17/83/1035291783.db2.gz ADPAVVVJSCGWQJ-KRWDZBQOSA-N 1 2 343.430 3.702 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1cn2ccc(Br)cc2n1 ZINC000685833122 1035362549 /nfs/dbraw/zinc/36/25/49/1035362549.db2.gz FULIUEBPMWEKPB-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1cn2ccc(Br)cc2n1 ZINC000685833122 1035362555 /nfs/dbraw/zinc/36/25/55/1035362555.db2.gz FULIUEBPMWEKPB-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001125807263 1035423302 /nfs/dbraw/zinc/42/33/02/1035423302.db2.gz ZPYACQLQKRTOAM-ROUUACIJSA-N 1 2 333.435 3.866 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000414075423 1035445860 /nfs/dbraw/zinc/44/58/60/1035445860.db2.gz NPSOSEFEMPFCGW-DUVNUKRYSA-N 1 2 346.452 3.501 20 0 EHADLO CC[C@]1(C)Oc2ccc(NC(=O)c3ccn4c(C)c[nH+]c4c3)cc2O1 ZINC000571460130 1035499902 /nfs/dbraw/zinc/49/99/02/1035499902.db2.gz FMQSKALLBVBVED-LJQANCHMSA-N 1 2 337.379 3.792 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000571535005 1035547287 /nfs/dbraw/zinc/54/72/87/1035547287.db2.gz JBQWLTHKEWCVQC-QFBILLFUSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000571535005 1035547297 /nfs/dbraw/zinc/54/72/97/1035547297.db2.gz JBQWLTHKEWCVQC-QFBILLFUSA-N 1 2 325.456 3.602 20 0 EHADLO COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000463587438 1035674970 /nfs/dbraw/zinc/67/49/70/1035674970.db2.gz GDXSLNQAPWJZGG-HUUCEWRRSA-N 1 2 341.455 3.744 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)CCc3cccc(F)c3)ccc2[nH+]1 ZINC000463612658 1035679393 /nfs/dbraw/zinc/67/93/93/1035679393.db2.gz NFXFICSGYROJKG-CYBMUJFWSA-N 1 2 325.387 3.989 20 0 EHADLO COc1c(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)c(C)nn1C ZINC000414131172 1035686193 /nfs/dbraw/zinc/68/61/93/1035686193.db2.gz KKFAZKNSFOKBLN-ZDUSSCGKSA-N 1 2 342.468 3.711 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000457085228 1035697491 /nfs/dbraw/zinc/69/74/91/1035697491.db2.gz OICQXAQLDSBGPW-ZMSDIMECSA-N 1 2 343.858 3.551 20 0 EHADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)sc1-c1ccc(F)cc1 ZINC000588085190 1035705979 /nfs/dbraw/zinc/70/59/79/1035705979.db2.gz DYXALLXWLZIPQT-CYBMUJFWSA-N 1 2 343.427 3.878 20 0 EHADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000186922224 1035720227 /nfs/dbraw/zinc/72/02/27/1035720227.db2.gz RQGODNKGTBAMGV-UHFFFAOYSA-N 1 2 340.851 3.505 20 0 EHADLO Cc1cc(OCC(=O)NCc2ccc(F)cc2)c2cccc(C)c2[nH+]1 ZINC000540841873 1035727918 /nfs/dbraw/zinc/72/79/18/1035727918.db2.gz MCQSUKIXICMPQJ-UHFFFAOYSA-N 1 2 338.382 3.686 20 0 EHADLO Clc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000540833312 1035734359 /nfs/dbraw/zinc/73/43/59/1035734359.db2.gz PONHFHSYEYLYDP-XYPHTWIQSA-N 1 2 329.831 3.895 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187132256 1035767670 /nfs/dbraw/zinc/76/76/70/1035767670.db2.gz MARPTJQPVPPCIU-DEOSSOPVSA-N 1 2 345.464 3.749 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187228059 1035777024 /nfs/dbraw/zinc/77/70/24/1035777024.db2.gz RWGUINXYKDITOJ-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000534965289 1035836440 /nfs/dbraw/zinc/83/64/40/1035836440.db2.gz QFQVOZQPQZMNLO-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000534965289 1035836457 /nfs/dbraw/zinc/83/64/57/1035836457.db2.gz QFQVOZQPQZMNLO-UHFFFAOYSA-N 1 2 334.822 3.536 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)s1 ZINC000414171618 1035858792 /nfs/dbraw/zinc/85/87/92/1035858792.db2.gz XNTYGPQBBTZQJI-IONNQARKSA-N 1 2 342.873 3.983 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccsc1)c1ccccc1 ZINC000613432895 1035866276 /nfs/dbraw/zinc/86/62/76/1035866276.db2.gz MPGPYMGMDAHDOY-GOSISDBHSA-N 1 2 330.497 3.736 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccsc1)c1ccccc1 ZINC000613432895 1035866299 /nfs/dbraw/zinc/86/62/99/1035866299.db2.gz MPGPYMGMDAHDOY-GOSISDBHSA-N 1 2 330.497 3.736 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2s1 ZINC000174168102 1035892872 /nfs/dbraw/zinc/89/28/72/1035892872.db2.gz MCXNKRLVJWTSJK-UHFFFAOYSA-N 1 2 343.456 3.612 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535011224 1035900590 /nfs/dbraw/zinc/90/05/90/1035900590.db2.gz IKDHGUBUSWQITG-UHFFFAOYSA-N 1 2 334.508 3.558 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)ccc2[nH+]1 ZINC000535037774 1035916899 /nfs/dbraw/zinc/91/68/99/1035916899.db2.gz RKTQIOOQTPIUJV-QGZVFWFLSA-N 1 2 335.407 3.789 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457273597 1035926643 /nfs/dbraw/zinc/92/66/43/1035926643.db2.gz IDBJQWCGKCNNEA-VQIMIIECSA-N 1 2 335.451 3.974 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC(C)(C)C3CCCCC3)[nH+]c12 ZINC000535026866 1035930467 /nfs/dbraw/zinc/93/04/67/1035930467.db2.gz TVLBWZCWLXIGJJ-UHFFFAOYSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000066607907 1035933901 /nfs/dbraw/zinc/93/39/01/1035933901.db2.gz CTYKEFGTCLRQRG-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCC[C@@H]3Cc3ccccc3)[nH+]c12 ZINC000588646642 1035940866 /nfs/dbraw/zinc/94/08/66/1035940866.db2.gz XRWTWOOSBIUWDO-HXUWFJFHSA-N 1 2 347.462 3.809 20 0 EHADLO Cc1cc(CCNC(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000463884487 1035942307 /nfs/dbraw/zinc/94/23/07/1035942307.db2.gz FATNHBAGLPXDHR-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c(C)c[nH+]1 ZINC000535060209 1035942842 /nfs/dbraw/zinc/94/28/42/1035942842.db2.gz AOEWOPPKUWALPO-INIZCTEOSA-N 1 2 338.455 3.603 20 0 EHADLO COc1nnc(C[N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000929773133 1035953632 /nfs/dbraw/zinc/95/36/32/1035953632.db2.gz WYJGSEXSLIFMFK-WDEREUQCSA-N 1 2 325.865 3.824 20 0 EHADLO COc1nnc(C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000929773133 1035953645 /nfs/dbraw/zinc/95/36/45/1035953645.db2.gz WYJGSEXSLIFMFK-WDEREUQCSA-N 1 2 325.865 3.824 20 0 EHADLO Cc1cc(Br)c(F)cc1C[NH+]1CC2(C1)CCCOC2 ZINC001140791608 1035959004 /nfs/dbraw/zinc/95/90/04/1035959004.db2.gz QUXOQGPCUWVCHA-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO CC[C@@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492566874 1036014765 /nfs/dbraw/zinc/01/47/65/1036014765.db2.gz SPIPRKZOJGWAIW-GPAKFWEMSA-N 1 2 337.345 3.733 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189188394 1036027592 /nfs/dbraw/zinc/02/75/92/1036027592.db2.gz QWYAPUDNACOUDS-DYVFJYSZSA-N 1 2 336.863 3.558 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)N1CCCc2ccccc21 ZINC000613483151 1036029220 /nfs/dbraw/zinc/02/92/20/1036029220.db2.gz KXCAVFPVLWZFGG-UHFFFAOYSA-N 1 2 338.426 3.770 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)N1CCCc2ccccc21 ZINC000613483151 1036029240 /nfs/dbraw/zinc/02/92/40/1036029240.db2.gz KXCAVFPVLWZFGG-UHFFFAOYSA-N 1 2 338.426 3.770 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(Cc2ccccc2F)CC1 ZINC000189125289 1036040524 /nfs/dbraw/zinc/04/05/24/1036040524.db2.gz MRTJBYHAVVWEQB-UHFFFAOYSA-N 1 2 349.409 3.651 20 0 EHADLO Cc1cc(/C=C/C(=O)NCCCCn2cc[nH+]c2)ccc1OC(C)C ZINC000492598166 1036053960 /nfs/dbraw/zinc/05/39/60/1036053960.db2.gz UVCCRYWDSXMWPS-VQHVLOKHSA-N 1 2 341.455 3.589 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000457393110 1036057320 /nfs/dbraw/zinc/05/73/20/1036057320.db2.gz RYXPKZHLROSVEU-SKHCZCESSA-N 1 2 336.426 3.525 20 0 EHADLO CC(C)COc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1Cl ZINC000666200726 1036143041 /nfs/dbraw/zinc/14/30/41/1036143041.db2.gz INWSVJAHYMGCRA-ZIAGYGMSSA-N 1 2 347.846 3.851 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000892567162 1036156624 /nfs/dbraw/zinc/15/66/24/1036156624.db2.gz BNQDRIPNSNBZKT-UHFFFAOYSA-N 1 2 339.464 3.853 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000457528205 1036224476 /nfs/dbraw/zinc/22/44/76/1036224476.db2.gz OSHNYUKQHLFLJP-AWEZNQCLSA-N 1 2 341.430 3.550 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414238283 1036225717 /nfs/dbraw/zinc/22/57/17/1036225717.db2.gz JYVBPQSAFXWUCT-AWEZNQCLSA-N 1 2 337.345 3.671 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000190420377 1036237211 /nfs/dbraw/zinc/23/72/11/1036237211.db2.gz SCJYQKSVOJEXAF-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO O=C(c1cccc(-c2c(F)cccc2F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000535252062 1036238475 /nfs/dbraw/zinc/23/84/75/1036238475.db2.gz LLFIYPIKWAAQHQ-UHFFFAOYSA-N 1 2 339.345 3.525 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000175164653 1036262073 /nfs/dbraw/zinc/26/20/73/1036262073.db2.gz WKJWHPZXAOVHIM-QGZVFWFLSA-N 1 2 349.434 3.612 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000175164653 1036262090 /nfs/dbraw/zinc/26/20/90/1036262090.db2.gz WKJWHPZXAOVHIM-QGZVFWFLSA-N 1 2 349.434 3.612 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCCC(C)C ZINC000457576118 1036302377 /nfs/dbraw/zinc/30/23/77/1036302377.db2.gz LOKPHKBSEXGGAH-UHFFFAOYSA-N 1 2 332.488 3.982 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)o1 ZINC000589198522 1036307237 /nfs/dbraw/zinc/30/72/37/1036307237.db2.gz ZOEMKAYOXGVMII-UHFFFAOYSA-N 1 2 342.420 3.870 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000175375907 1036356261 /nfs/dbraw/zinc/35/62/61/1036356261.db2.gz YOBAFEUFYUJQRM-CVEARBPZSA-N 1 2 340.471 3.981 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000175375873 1036356990 /nfs/dbraw/zinc/35/69/90/1036356990.db2.gz YOBAFEUFYUJQRM-HZPDHXFCSA-N 1 2 340.471 3.981 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c(Cl)c1 ZINC000191662431 1036403042 /nfs/dbraw/zinc/40/30/42/1036403042.db2.gz HCKQUNLRGAGKNR-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO O=C(/C=C\c1cccnc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000492929426 1036412738 /nfs/dbraw/zinc/41/27/38/1036412738.db2.gz PAHGKKRRRJESRJ-KHPPLWFESA-N 1 2 344.418 3.933 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535382655 1036426238 /nfs/dbraw/zinc/42/62/38/1036426238.db2.gz OXNOWPFPXCKNHU-UHFFFAOYSA-N 1 2 342.405 3.579 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535382655 1036426244 /nfs/dbraw/zinc/42/62/44/1036426244.db2.gz OXNOWPFPXCKNHU-UHFFFAOYSA-N 1 2 342.405 3.579 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)nc2ccccc12 ZINC000572718059 1036468026 /nfs/dbraw/zinc/46/80/26/1036468026.db2.gz UGAHQZFWLSQNAO-GOSISDBHSA-N 1 2 348.899 3.905 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@]3(CCSC3)C2)nc2ccccc12 ZINC000572718059 1036468037 /nfs/dbraw/zinc/46/80/37/1036468037.db2.gz UGAHQZFWLSQNAO-GOSISDBHSA-N 1 2 348.899 3.905 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)c1csnn1 ZINC000414301358 1036527864 /nfs/dbraw/zinc/52/78/64/1036527864.db2.gz LTFSMMWPIVAJSQ-UFBFGSQYSA-N 1 2 329.347 3.775 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)co2)cc1 ZINC000541645636 1036538114 /nfs/dbraw/zinc/53/81/14/1036538114.db2.gz JXAOHARUOYICBJ-CQSZACIVSA-N 1 2 340.427 3.978 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000464544611 1036538681 /nfs/dbraw/zinc/53/86/81/1036538681.db2.gz NZUYDXRDDIGGRP-FGTMMUONSA-N 1 2 344.503 3.979 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1F ZINC000192710979 1036541845 /nfs/dbraw/zinc/54/18/45/1036541845.db2.gz IZGRHDRBWIBNSK-LJQANCHMSA-N 1 2 343.377 3.586 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c(C)o1 ZINC000541660297 1036546963 /nfs/dbraw/zinc/54/69/63/1036546963.db2.gz ICDOOXHWXNIQJB-JTQLQIEISA-N 1 2 336.457 3.979 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(c2ccccc2)CCCCCC1 ZINC000193111249 1036565888 /nfs/dbraw/zinc/56/58/88/1036565888.db2.gz YRUAPGPJQGHORM-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(c2ccccc2)CCCCCC1 ZINC000193111249 1036565901 /nfs/dbraw/zinc/56/59/01/1036565901.db2.gz YRUAPGPJQGHORM-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC000376407156 1036565983 /nfs/dbraw/zinc/56/59/83/1036565983.db2.gz HBOYHJBWRJNALX-MRXNPFEDSA-N 1 2 344.503 3.812 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000056867146 1036593963 /nfs/dbraw/zinc/59/39/63/1036593963.db2.gz IERURVKRILRRBQ-CSKARUKUSA-N 1 2 349.390 3.541 20 0 EHADLO Cc1cc(N2CCN(C(=O)C[C@H](C)CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000589875426 1036645698 /nfs/dbraw/zinc/64/56/98/1036645698.db2.gz QWZWMBHDKRSODY-MRXNPFEDSA-N 1 2 346.519 3.629 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376422098 1036671683 /nfs/dbraw/zinc/67/16/83/1036671683.db2.gz QQHBSJJTTIFEOH-NVXWUHKLSA-N 1 2 345.874 3.655 20 0 EHADLO Cn1c(=S)n(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000057089893 1036685035 /nfs/dbraw/zinc/68/50/35/1036685035.db2.gz SNXIMCHGWWTDRN-KRWDZBQOSA-N 1 2 340.496 3.938 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)nc1C1CC1 ZINC000057089893 1036685042 /nfs/dbraw/zinc/68/50/42/1036685042.db2.gz SNXIMCHGWWTDRN-KRWDZBQOSA-N 1 2 340.496 3.938 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725074 1036701604 /nfs/dbraw/zinc/70/16/04/1036701604.db2.gz LQZLKPIEEOKGGA-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725074 1036701625 /nfs/dbraw/zinc/70/16/25/1036701625.db2.gz LQZLKPIEEOKGGA-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1(C)C ZINC000457977831 1036706161 /nfs/dbraw/zinc/70/61/61/1036706161.db2.gz QWACEHGATZBUFF-QGZVFWFLSA-N 1 2 344.434 3.587 20 0 EHADLO Fc1cccc(Cl)c1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000170778890 1036718826 /nfs/dbraw/zinc/71/88/26/1036718826.db2.gz VUQMJFJJWGDHFG-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1cccc(Cl)c1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000170778890 1036718843 /nfs/dbraw/zinc/71/88/43/1036718843.db2.gz VUQMJFJJWGDHFG-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000302910553 1036846620 /nfs/dbraw/zinc/84/66/20/1036846620.db2.gz LPVQBBBGUXOIRK-OAHLLOKOSA-N 1 2 348.454 3.699 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000302910553 1036846636 /nfs/dbraw/zinc/84/66/36/1036846636.db2.gz LPVQBBBGUXOIRK-OAHLLOKOSA-N 1 2 348.454 3.699 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830385 1036866378 /nfs/dbraw/zinc/86/63/78/1036866378.db2.gz ACXDIXCQTCMSET-WMLDXEAASA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NCc2cccs2)o1 ZINC000464830385 1036866397 /nfs/dbraw/zinc/86/63/97/1036866397.db2.gz ACXDIXCQTCMSET-WMLDXEAASA-N 1 2 346.496 3.993 20 0 EHADLO CCc1nc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc(C)[nH+]1 ZINC000376447984 1036885796 /nfs/dbraw/zinc/88/57/96/1036885796.db2.gz IDUKRWZOQJTLEH-HNNXBMFYSA-N 1 2 349.381 3.527 20 0 EHADLO Fc1ccc2oc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)nc2c1 ZINC000464867693 1036904912 /nfs/dbraw/zinc/90/49/12/1036904912.db2.gz JAIHNXKEPKVTOF-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO Cc1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)c(N(C)C)[nH+]1 ZINC000162453078 1036909461 /nfs/dbraw/zinc/90/94/61/1036909461.db2.gz JDYGEEOKQTZVOJ-UHFFFAOYSA-N 1 2 348.397 3.755 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)s1 ZINC000464857705 1036911260 /nfs/dbraw/zinc/91/12/60/1036911260.db2.gz LUPDBRPHGNJADL-RHSMWYFYSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)s1 ZINC000464857705 1036911284 /nfs/dbraw/zinc/91/12/84/1036911284.db2.gz LUPDBRPHGNJADL-RHSMWYFYSA-N 1 2 346.496 3.993 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177753129 1036927082 /nfs/dbraw/zinc/92/70/82/1036927082.db2.gz MVTVRCIWDWFYJK-CYBMUJFWSA-N 1 2 342.830 3.890 20 0 EHADLO C[C@@H](CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000376453444 1036950388 /nfs/dbraw/zinc/95/03/88/1036950388.db2.gz FPNABTNNUPCVCB-INIZCTEOSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528774 1036965595 /nfs/dbraw/zinc/96/55/95/1036965595.db2.gz QLJRYKGPCSLBEO-FUHWJXTLSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528774 1036965612 /nfs/dbraw/zinc/96/56/12/1036965612.db2.gz QLJRYKGPCSLBEO-FUHWJXTLSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000177917070 1036966827 /nfs/dbraw/zinc/96/68/27/1036966827.db2.gz WMDHCOQHQRNANS-NSHDSACASA-N 1 2 341.333 3.582 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000177917070 1036966838 /nfs/dbraw/zinc/96/68/38/1036966838.db2.gz WMDHCOQHQRNANS-NSHDSACASA-N 1 2 341.333 3.582 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1CCC(c2ccccc2)CC1 ZINC000178067368 1036991952 /nfs/dbraw/zinc/99/19/52/1036991952.db2.gz YZEIMKULHDOLRI-UHFFFAOYSA-N 1 2 333.435 3.925 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3NCC4)CCO2)c(F)c1 ZINC000647538296 1036999826 /nfs/dbraw/zinc/99/98/26/1036999826.db2.gz LIJLOVMSEGVYFH-SFHVURJKSA-N 1 2 330.378 3.506 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3NCC4)CCO2)c(F)c1 ZINC000647538296 1036999835 /nfs/dbraw/zinc/99/98/35/1036999835.db2.gz LIJLOVMSEGVYFH-SFHVURJKSA-N 1 2 330.378 3.506 20 0 EHADLO CC(C)(CCCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178367142 1037030196 /nfs/dbraw/zinc/03/01/96/1037030196.db2.gz XMYUFUBAIQQSTA-UHFFFAOYSA-N 1 2 335.451 4.000 20 0 EHADLO C[C@H](C[N@@H+]1CCO[C@H](CCF)C1)c1cccc(Br)c1 ZINC000628458297 1037030428 /nfs/dbraw/zinc/03/04/28/1037030428.db2.gz KWYZCNPHNHUVNC-IUODEOHRSA-N 1 2 330.241 3.613 20 0 EHADLO C[C@H](C[N@H+]1CCO[C@H](CCF)C1)c1cccc(Br)c1 ZINC000628458297 1037030434 /nfs/dbraw/zinc/03/04/34/1037030434.db2.gz KWYZCNPHNHUVNC-IUODEOHRSA-N 1 2 330.241 3.613 20 0 EHADLO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000007224799 1037030749 /nfs/dbraw/zinc/03/07/49/1037030749.db2.gz KVHLOBIJGFHIRK-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178373722 1037032501 /nfs/dbraw/zinc/03/25/01/1037032501.db2.gz FEYJTSDCAGOGMC-UHFFFAOYSA-N 1 2 348.233 3.890 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590734120 1037035634 /nfs/dbraw/zinc/03/56/34/1037035634.db2.gz TUGZZBMVTGKOML-INIZCTEOSA-N 1 2 329.469 3.537 20 0 EHADLO CCOc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1O ZINC000923997460 1037047366 /nfs/dbraw/zinc/04/73/66/1037047366.db2.gz LTUPAWMIJMQXFT-AWEZNQCLSA-N 1 2 342.399 3.673 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@]12C[C@H]1CCC2 ZINC000666451865 1037064923 /nfs/dbraw/zinc/06/49/23/1037064923.db2.gz QKEOQGBCSPECOA-FOIQADDNSA-N 1 2 334.423 3.666 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000636435884 1037073507 /nfs/dbraw/zinc/07/35/07/1037073507.db2.gz FVDYMPXMNAMAJL-LBPRGKRZSA-N 1 2 346.418 3.698 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053266740 1037078418 /nfs/dbraw/zinc/07/84/18/1037078418.db2.gz VXEPKFYCBUNJHO-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053266740 1037078433 /nfs/dbraw/zinc/07/84/33/1037078433.db2.gz VXEPKFYCBUNJHO-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO CC1(C)CCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542122174 1037084125 /nfs/dbraw/zinc/08/41/25/1037084125.db2.gz BEYBFMFLUCQVKT-QGZVFWFLSA-N 1 2 332.492 3.664 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1cccc(OC)c1 ZINC000761505814 1037088202 /nfs/dbraw/zinc/08/82/02/1037088202.db2.gz FSNJTTCHUFVLQE-UHFFFAOYSA-N 1 2 346.500 3.563 20 0 EHADLO C[C@@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000539703901 1037092651 /nfs/dbraw/zinc/09/26/51/1037092651.db2.gz UTYBAGAZBVUFEP-KRWDZBQOSA-N 1 2 348.450 3.865 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cn(C)nc1C(C)(C)C ZINC000539709738 1037100653 /nfs/dbraw/zinc/10/06/53/1037100653.db2.gz OJFOWNCCWSZKMW-UHFFFAOYSA-N 1 2 325.460 3.511 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000064141263 1037128089 /nfs/dbraw/zinc/12/80/89/1037128089.db2.gz LCIXMCLQOQFUDB-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO CCc1nc(N2CCOC[C@@H]2c2nc3ccccc3s2)cc(C)[nH+]1 ZINC000376479091 1037131361 /nfs/dbraw/zinc/13/13/61/1037131361.db2.gz JQKLCKCCZMEEGL-CQSZACIVSA-N 1 2 340.452 3.535 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1coc2ccccc12)c1ccc(F)cc1 ZINC000573002997 1037153903 /nfs/dbraw/zinc/15/39/03/1037153903.db2.gz XZQUVSNYPMNGMJ-LJQANCHMSA-N 1 2 338.382 3.681 20 0 EHADLO C[C@@H](Nc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000186997938 1037156489 /nfs/dbraw/zinc/15/64/89/1037156489.db2.gz OHIPIISRDFGWJJ-OAHLLOKOSA-N 1 2 334.423 3.774 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC(C)(C)C1 ZINC000539764881 1037164818 /nfs/dbraw/zinc/16/48/18/1037164818.db2.gz ICNULRRVIYBZTI-UHFFFAOYSA-N 1 2 332.492 3.904 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC(C)(C)C1 ZINC000539764881 1037164828 /nfs/dbraw/zinc/16/48/28/1037164828.db2.gz ICNULRRVIYBZTI-UHFFFAOYSA-N 1 2 332.492 3.904 20 0 EHADLO COc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OC1CCCC1 ZINC000542225602 1037193033 /nfs/dbraw/zinc/19/30/33/1037193033.db2.gz MVUFEASDNSZZID-UHFFFAOYSA-N 1 2 340.423 3.703 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000542276757 1037233286 /nfs/dbraw/zinc/23/32/86/1037233286.db2.gz CNKGIJXLILBAFX-YOEHRIQHSA-N 1 2 337.435 3.709 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000542276757 1037233302 /nfs/dbraw/zinc/23/33/02/1037233302.db2.gz CNKGIJXLILBAFX-YOEHRIQHSA-N 1 2 337.435 3.709 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)cnc12 ZINC000539817263 1037235554 /nfs/dbraw/zinc/23/55/54/1037235554.db2.gz MLRCDNNSXPGSEA-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)cnc12 ZINC000539817263 1037235567 /nfs/dbraw/zinc/23/55/67/1037235567.db2.gz MLRCDNNSXPGSEA-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc1O ZINC000539834813 1037260455 /nfs/dbraw/zinc/26/04/55/1037260455.db2.gz MTVPDJPVHYKLHI-IIBYNOLFSA-N 1 2 341.451 3.980 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc1O ZINC000539834813 1037260465 /nfs/dbraw/zinc/26/04/65/1037260465.db2.gz MTVPDJPVHYKLHI-IIBYNOLFSA-N 1 2 341.451 3.980 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000653792303 1037266864 /nfs/dbraw/zinc/26/68/64/1037266864.db2.gz ANAGTPUQHJNEJG-CXAGYDPISA-N 1 2 325.391 3.603 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1C ZINC000591249196 1037268951 /nfs/dbraw/zinc/26/89/51/1037268951.db2.gz FEPVBQPWNWILMK-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO CCc1ncc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000414392042 1037288535 /nfs/dbraw/zinc/28/85/35/1037288535.db2.gz CONQSJLFCNUOKP-OAHLLOKOSA-N 1 2 344.890 3.571 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000465255458 1037290142 /nfs/dbraw/zinc/29/01/42/1037290142.db2.gz NUGRTEVCJLHUIQ-GPMSIDNRSA-N 1 2 345.487 3.780 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000591264520 1037312757 /nfs/dbraw/zinc/31/27/57/1037312757.db2.gz RNULVFDZYPKZBU-CQSZACIVSA-N 1 2 326.440 3.929 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000591264520 1037312772 /nfs/dbraw/zinc/31/27/72/1037312772.db2.gz RNULVFDZYPKZBU-CQSZACIVSA-N 1 2 326.440 3.929 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000006911828 1037364678 /nfs/dbraw/zinc/36/46/78/1037364678.db2.gz KLIYHYQSHQOVKB-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000006911828 1037364697 /nfs/dbraw/zinc/36/46/97/1037364697.db2.gz KLIYHYQSHQOVKB-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CCS[C@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301484506 1037386512 /nfs/dbraw/zinc/38/65/12/1037386512.db2.gz GPSVRQLNLIWNEN-HOTGVXAUSA-N 1 2 339.468 3.902 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000104791863 1037396466 /nfs/dbraw/zinc/39/64/66/1037396466.db2.gz ZYXARIAUTXOFHA-LJQANCHMSA-N 1 2 346.434 3.667 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462800534 1037418069 /nfs/dbraw/zinc/41/80/69/1037418069.db2.gz FYMILZQZXYRDMD-GFCCVEGCSA-N 1 2 347.256 3.762 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462800534 1037418082 /nfs/dbraw/zinc/41/80/82/1037418082.db2.gz FYMILZQZXYRDMD-GFCCVEGCSA-N 1 2 347.256 3.762 20 0 EHADLO C[C@@H](CC(=O)N(C)c1nc2ccc(Cl)cc2s1)n1cc[nH+]c1 ZINC000573254119 1037432468 /nfs/dbraw/zinc/43/24/68/1037432468.db2.gz QZXLSIGTZCJZTP-JTQLQIEISA-N 1 2 334.832 3.760 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000591504933 1037450560 /nfs/dbraw/zinc/45/05/60/1037450560.db2.gz RJMOAEKEBXJYEE-DLBZAZTESA-N 1 2 347.503 3.506 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000591503981 1037451838 /nfs/dbraw/zinc/45/18/38/1037451838.db2.gz CGQYXQUSQPRJSP-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000591503981 1037451847 /nfs/dbraw/zinc/45/18/47/1037451847.db2.gz CGQYXQUSQPRJSP-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000573336659 1037471065 /nfs/dbraw/zinc/47/10/65/1037471065.db2.gz XLNWKFKTODZXRO-AWEZNQCLSA-N 1 2 345.874 3.723 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000573336659 1037471081 /nfs/dbraw/zinc/47/10/81/1037471081.db2.gz XLNWKFKTODZXRO-AWEZNQCLSA-N 1 2 345.874 3.723 20 0 EHADLO CCC(CC)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000591521497 1037475140 /nfs/dbraw/zinc/47/51/40/1037475140.db2.gz PIMVPPQFXJJKLW-HNNXBMFYSA-N 1 2 333.476 3.638 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000462872828 1037500673 /nfs/dbraw/zinc/50/06/73/1037500673.db2.gz GKQCZGLHVNHPKL-FXAWDEMLSA-N 1 2 338.455 3.618 20 0 EHADLO COc1ccccc1[C@@]1(C)C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000462872828 1037500680 /nfs/dbraw/zinc/50/06/80/1037500680.db2.gz GKQCZGLHVNHPKL-FXAWDEMLSA-N 1 2 338.455 3.618 20 0 EHADLO CCCOc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1OCCC ZINC000493661349 1037519437 /nfs/dbraw/zinc/51/94/37/1037519437.db2.gz XLCLLUZAOCJRHF-FPLPWBNLSA-N 1 2 329.400 3.639 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462897088 1037524665 /nfs/dbraw/zinc/52/46/65/1037524665.db2.gz SATSJMQXFVRTRQ-KRWDZBQOSA-N 1 2 336.838 3.880 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2c[nH+]cn2C)n1)CCCCC3 ZINC000516899627 1037577000 /nfs/dbraw/zinc/57/70/00/1037577000.db2.gz GNIFTXSRFKZPJE-UHFFFAOYSA-N 1 2 327.457 3.614 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C=Cc1[nH]cc[nH+]1 ZINC000493796073 1037620490 /nfs/dbraw/zinc/62/04/90/1037620490.db2.gz SXBVRWSZLWAEPP-BQYQJAHWSA-N 1 2 342.399 3.717 20 0 EHADLO C[C@@H](Nc1cccc(CN2CCOCC2)[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421082 1037645435 /nfs/dbraw/zinc/64/54/35/1037645435.db2.gz GDCDEMJZWFXXRD-HYVNUMGLSA-N 1 2 343.496 3.579 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1F ZINC000591812088 1037657520 /nfs/dbraw/zinc/65/75/20/1037657520.db2.gz ZZGOSALJPAPERI-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1F ZINC000591812088 1037657531 /nfs/dbraw/zinc/65/75/31/1037657531.db2.gz ZZGOSALJPAPERI-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)c1C ZINC000542471050 1037709627 /nfs/dbraw/zinc/70/96/27/1037709627.db2.gz OWBMYBKOWKVLOI-HXUWFJFHSA-N 1 2 338.430 3.933 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000491861186 1037740913 /nfs/dbraw/zinc/74/09/13/1037740913.db2.gz XZCKUNSDSICCQR-DZGCQCFKSA-N 1 2 337.464 3.505 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000491861186 1037740922 /nfs/dbraw/zinc/74/09/22/1037740922.db2.gz XZCKUNSDSICCQR-DZGCQCFKSA-N 1 2 337.464 3.505 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000172921316 1037754457 /nfs/dbraw/zinc/75/44/57/1037754457.db2.gz UTWYCKSUZUZQQV-LJQANCHMSA-N 1 2 346.858 3.506 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000172921124 1037754740 /nfs/dbraw/zinc/75/47/40/1037754740.db2.gz CRDRELOKLLOCBN-IBGZPJMESA-N 1 2 346.858 3.554 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2c(F)cccc2OC)c1 ZINC000182116488 1037759440 /nfs/dbraw/zinc/75/94/40/1037759440.db2.gz IYOUFNNOSIBDLM-LLVKDONJSA-N 1 2 335.350 3.611 20 0 EHADLO CCCc1csc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000494030092 1037785780 /nfs/dbraw/zinc/78/57/80/1037785780.db2.gz YZSACLDLMJTNEV-AWEZNQCLSA-N 1 2 349.887 3.644 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378070181 1037810178 /nfs/dbraw/zinc/81/01/78/1037810178.db2.gz CZFVFVMKQZMCAS-UHFFFAOYSA-N 1 2 340.471 3.666 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378070181 1037810199 /nfs/dbraw/zinc/81/01/99/1037810199.db2.gz CZFVFVMKQZMCAS-UHFFFAOYSA-N 1 2 340.471 3.666 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463152716 1037824615 /nfs/dbraw/zinc/82/46/15/1037824615.db2.gz PUWBMMDVQWAFFO-HZPDHXFCSA-N 1 2 337.533 3.961 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378081071 1037856967 /nfs/dbraw/zinc/85/69/67/1037856967.db2.gz WPFVOPOOHBHJAX-DNVCBOLYSA-N 1 2 325.456 3.946 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378081071 1037856974 /nfs/dbraw/zinc/85/69/74/1037856974.db2.gz WPFVOPOOHBHJAX-DNVCBOLYSA-N 1 2 325.456 3.946 20 0 EHADLO c1ccc(NC[C@@H]2CCC3(CCCCC3)O2)c(C[NH+]2CCOCC2)c1 ZINC000187933301 1037876064 /nfs/dbraw/zinc/87/60/64/1037876064.db2.gz AYAVTWRJWATJMJ-IBGZPJMESA-N 1 2 344.499 3.813 20 0 EHADLO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000592204418 1037884580 /nfs/dbraw/zinc/88/45/80/1037884580.db2.gz RUYKODCTQIEMTD-LBPRGKRZSA-N 1 2 348.468 3.647 20 0 EHADLO CC[N@@H+](CCSC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000592204418 1037884603 /nfs/dbraw/zinc/88/46/03/1037884603.db2.gz RUYKODCTQIEMTD-LBPRGKRZSA-N 1 2 348.468 3.647 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000454169509 1037885579 /nfs/dbraw/zinc/88/55/79/1037885579.db2.gz QGDWVTRJURHDRZ-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO C[C@H]1CC(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)C1 ZINC000183050141 1037925467 /nfs/dbraw/zinc/92/54/67/1037925467.db2.gz RAFYDNZUUAEDRT-IAGOWNOFSA-N 1 2 339.483 3.662 20 0 EHADLO CC[C@H](N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000592399345 1037941441 /nfs/dbraw/zinc/94/14/41/1037941441.db2.gz HGBGCPGQDUVQNL-YOEHRIQHSA-N 1 2 329.444 3.643 20 0 EHADLO CCCC[C@@](CC)([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OCC ZINC001168242603 1037942192 /nfs/dbraw/zinc/94/21/92/1037942192.db2.gz CMIWSRSJRARKAU-FXAWDEMLSA-N 1 2 333.472 3.654 20 0 EHADLO O=C(C=Cc1ccc(C(F)(F)F)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492090745 1037956861 /nfs/dbraw/zinc/95/68/61/1037956861.db2.gz QYOOMKSNJSZHMK-UTCJRWHESA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1ccc(C(F)(F)F)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492090745 1037956874 /nfs/dbraw/zinc/95/68/74/1037956874.db2.gz QYOOMKSNJSZHMK-UTCJRWHESA-N 1 2 349.356 3.848 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCSc3ccc(F)cc32)c[nH+]1 ZINC000454192407 1037978377 /nfs/dbraw/zinc/97/83/77/1037978377.db2.gz LDCLJMRUSFOOSL-MRXNPFEDSA-N 1 2 345.443 3.874 20 0 EHADLO CCSc1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000124113775 1038140580 /nfs/dbraw/zinc/14/05/80/1038140580.db2.gz HUYCRRNJRONENR-WMLDXEAASA-N 1 2 329.469 3.718 20 0 EHADLO Cc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)no1 ZINC000536527671 1038199240 /nfs/dbraw/zinc/19/92/40/1038199240.db2.gz UEUWVTQXNNIUMP-UHFFFAOYSA-N 1 2 338.455 3.815 20 0 EHADLO Cc1csc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000124622952 1038212087 /nfs/dbraw/zinc/21/20/87/1038212087.db2.gz ACFUYPWIFQIBOI-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1csc([C@@H]2CCCO2)n1 ZINC000125518378 1038339985 /nfs/dbraw/zinc/33/99/85/1038339985.db2.gz WMPNMSMXIKNATP-AWEZNQCLSA-N 1 2 340.408 3.637 20 0 EHADLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)c1 ZINC000472951497 1038349710 /nfs/dbraw/zinc/34/97/10/1038349710.db2.gz MROLGKQPWQGJPN-HNNXBMFYSA-N 1 2 331.456 3.905 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc2[nH]ccc2c1 ZINC000107567110 1038376725 /nfs/dbraw/zinc/37/67/25/1038376725.db2.gz LDTBLFSYDCYQGP-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO COc1ncc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000368502730 1038430197 /nfs/dbraw/zinc/43/01/97/1038430197.db2.gz HPRCEYRYXUMJMC-ISVAXAHUSA-N 1 2 340.757 3.806 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000339164102 1038517055 /nfs/dbraw/zinc/51/70/55/1038517055.db2.gz AZUYWLRNGCJTDH-FZKQIMNGSA-N 1 2 333.863 3.910 20 0 EHADLO Cc1cc(NC(=O)N2CCC(c3cccc(F)c3)CC2)c(C)c[nH+]1 ZINC000378356081 1038519839 /nfs/dbraw/zinc/51/98/39/1038519839.db2.gz QOGBOGOXLGECOE-UHFFFAOYSA-N 1 2 327.403 3.671 20 0 EHADLO COC(C)(C)C[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000538828159 1038555720 /nfs/dbraw/zinc/55/57/20/1038555720.db2.gz NWNPNXINTXEIDA-UHFFFAOYSA-N 1 2 334.485 3.887 20 0 EHADLO COC(C)(C)C[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000538828159 1038555725 /nfs/dbraw/zinc/55/57/25/1038555725.db2.gz NWNPNXINTXEIDA-UHFFFAOYSA-N 1 2 334.485 3.887 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCC(C2CC2)CC1 ZINC000667173292 1038622630 /nfs/dbraw/zinc/62/26/30/1038622630.db2.gz CIMTUMDTKYLXSU-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H]2CC2(C)C)c(C)c1 ZINC000584565710 1038626069 /nfs/dbraw/zinc/62/60/69/1038626069.db2.gz PIPZTCHYULXTDO-ROUUACIJSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC=C(c3ccncc3)C2)o1 ZINC000552028835 1038626812 /nfs/dbraw/zinc/62/68/12/1038626812.db2.gz RVJKLTGYSZTQDB-UHFFFAOYSA-N 1 2 346.434 3.653 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCC=C(c3ccncc3)C2)o1 ZINC000552028835 1038626815 /nfs/dbraw/zinc/62/68/15/1038626815.db2.gz RVJKLTGYSZTQDB-UHFFFAOYSA-N 1 2 346.434 3.653 20 0 EHADLO CC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)c1ccccc1 ZINC000651379715 1038642130 /nfs/dbraw/zinc/64/21/30/1038642130.db2.gz QOTLCUSYTAUCFD-GOSISDBHSA-N 1 2 339.483 3.635 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000511553723 1038667804 /nfs/dbraw/zinc/66/78/04/1038667804.db2.gz NPQMDGHVOGGESD-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO Cc1ccc(C(C)(C)CN(C)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651392069 1038758114 /nfs/dbraw/zinc/75/81/14/1038758114.db2.gz FGKNWGUFJNBVKC-UHFFFAOYSA-N 1 2 339.483 3.507 20 0 EHADLO CCSCc1cc[nH+]c(NCc2csc(-c3ccn(C)n3)n2)c1 ZINC000905411668 1038867090 /nfs/dbraw/zinc/86/70/90/1038867090.db2.gz NYZPMVOBTVNHLE-UHFFFAOYSA-N 1 2 345.497 3.804 20 0 EHADLO Cc1cc(CNc2cc(CSCCO)ccn2)c2c([nH+]1)CCCC2 ZINC000893267714 1038879513 /nfs/dbraw/zinc/87/95/13/1038879513.db2.gz WJDBHLVVBUJKMT-UHFFFAOYSA-N 1 2 343.496 3.501 20 0 EHADLO Cc1cccn2c(CNc3cc(NC(=O)C4CC4)ccc3C)c[nH+]c12 ZINC000155465214 1038930344 /nfs/dbraw/zinc/93/03/44/1038930344.db2.gz YLCABOFYDOXEDF-UHFFFAOYSA-N 1 2 334.423 3.912 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000488197515 1038953901 /nfs/dbraw/zinc/95/39/01/1038953901.db2.gz HLRSTWKZHQIBPY-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000488197515 1038953917 /nfs/dbraw/zinc/95/39/17/1038953917.db2.gz HLRSTWKZHQIBPY-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H]1[N@H+](Cc2cncc(OCc3ccccc3)c2)CCOC1(C)C ZINC000488195612 1038954815 /nfs/dbraw/zinc/95/48/15/1038954815.db2.gz FZNBMFOKZPKVOK-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO C[C@@H]1[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCOC1(C)C ZINC000488195612 1038954833 /nfs/dbraw/zinc/95/48/33/1038954833.db2.gz FZNBMFOKZPKVOK-INIZCTEOSA-N 1 2 326.440 3.660 20 0 EHADLO Cn1c(C[NH2+]Cc2sccc2Br)nc2ccccc21 ZINC000112838143 1039003562 /nfs/dbraw/zinc/00/35/62/1039003562.db2.gz IYRQJLWOKVPVEL-UHFFFAOYSA-N 1 2 336.258 3.687 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cncc(F)c3)CC2)c(C)c1 ZINC000554213934 1039066693 /nfs/dbraw/zinc/06/66/93/1039066693.db2.gz CNRPGWWDCGHBLB-UHFFFAOYSA-N 1 2 326.415 3.932 20 0 EHADLO CCc1ccc(OCC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1 ZINC000477970538 1039073209 /nfs/dbraw/zinc/07/32/09/1039073209.db2.gz AJKKNEHWZVQJTR-UHFFFAOYSA-N 1 2 335.407 3.965 20 0 EHADLO O=C(c1ccsc1Cl)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778333 1039087236 /nfs/dbraw/zinc/08/72/36/1039087236.db2.gz PJDNYAPMMWRXRM-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO O=C(c1ccsc1Cl)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778333 1039087257 /nfs/dbraw/zinc/08/72/57/1039087257.db2.gz PJDNYAPMMWRXRM-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512426277 1039095776 /nfs/dbraw/zinc/09/57/76/1039095776.db2.gz FOHSYTAALKEBET-IPYPFGDCSA-N 1 2 343.298 3.849 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000429578402 1039138534 /nfs/dbraw/zinc/13/85/34/1039138534.db2.gz NHJDWSAYUODTJA-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2cccc(C)c2C1 ZINC000429578402 1039138544 /nfs/dbraw/zinc/13/85/44/1039138544.db2.gz NHJDWSAYUODTJA-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CC[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1OC ZINC000905861489 1039143485 /nfs/dbraw/zinc/14/34/85/1039143485.db2.gz GZPLAXCAFPTYDA-MJGOQNOKSA-N 1 2 344.430 3.705 20 0 EHADLO CC[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1OC ZINC000905861487 1039144284 /nfs/dbraw/zinc/14/42/84/1039144284.db2.gz GZPLAXCAFPTYDA-HKUYNNGSSA-N 1 2 344.430 3.705 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cccc4c[nH]nc42)C3)cc1 ZINC000488574980 1039274016 /nfs/dbraw/zinc/27/40/16/1039274016.db2.gz SKTZUWRHYJRXEP-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cccc4c[nH]nc42)C3)cc1 ZINC000488574980 1039274021 /nfs/dbraw/zinc/27/40/21/1039274021.db2.gz SKTZUWRHYJRXEP-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO Cc1csc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000478219129 1039310167 /nfs/dbraw/zinc/31/01/67/1039310167.db2.gz VVQURLYKLUEQFY-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000480218460 1039317599 /nfs/dbraw/zinc/31/75/99/1039317599.db2.gz VIUVTAUMWRJKRG-XKQJLSEDSA-N 1 2 339.430 3.588 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000480218460 1039317614 /nfs/dbraw/zinc/31/76/14/1039317614.db2.gz VIUVTAUMWRJKRG-XKQJLSEDSA-N 1 2 339.430 3.588 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000584588373 1039328908 /nfs/dbraw/zinc/32/89/08/1039328908.db2.gz DUXYFWAEYHWXBH-DGCLKSJQSA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000584588373 1039328925 /nfs/dbraw/zinc/32/89/25/1039328925.db2.gz DUXYFWAEYHWXBH-DGCLKSJQSA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2s1 ZINC000667313090 1039329681 /nfs/dbraw/zinc/32/96/81/1039329681.db2.gz KFWLUORVEPDFQG-CHWSQXEVSA-N 1 2 340.452 3.895 20 0 EHADLO CN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCCCC1 ZINC000554463284 1039360247 /nfs/dbraw/zinc/36/02/47/1039360247.db2.gz BRKJGEAHWQYQGH-UHFFFAOYSA-N 1 2 327.432 3.513 20 0 EHADLO CC(C)c1nnc(CCNc2cc(C(C)C)[nH+]c(C(C)C)n2)s1 ZINC000488731525 1039361071 /nfs/dbraw/zinc/36/10/71/1039361071.db2.gz LSDAQZMPNXWYSY-UHFFFAOYSA-N 1 2 333.505 3.775 20 0 EHADLO C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H](C)c1ccccc1 ZINC000554465865 1039364794 /nfs/dbraw/zinc/36/47/94/1039364794.db2.gz BKXGQTBXGMQCCN-CVEARBPZSA-N 1 2 349.438 3.640 20 0 EHADLO COc1ccc(CN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000584617441 1039376247 /nfs/dbraw/zinc/37/62/47/1039376247.db2.gz UIRGXCBBPGTOCL-HZPDHXFCSA-N 1 2 341.455 3.670 20 0 EHADLO CC(C)C1(c2ccccc2)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000417079195 1039391789 /nfs/dbraw/zinc/39/17/89/1039391789.db2.gz NFCIQANWTAKNLT-UHFFFAOYSA-N 1 2 334.423 3.776 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)c(C)[nH+]1 ZINC000911547635 1039407542 /nfs/dbraw/zinc/40/75/42/1039407542.db2.gz NQRICNFPVOFHNA-UHFFFAOYSA-N 1 2 346.471 3.591 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)nn1 ZINC000906272959 1039429833 /nfs/dbraw/zinc/42/98/33/1039429833.db2.gz QVVSODWJGFBBMT-JXFKEZNVSA-N 1 2 340.471 3.539 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)nn1 ZINC000906272959 1039429845 /nfs/dbraw/zinc/42/98/45/1039429845.db2.gz QVVSODWJGFBBMT-JXFKEZNVSA-N 1 2 340.471 3.539 20 0 EHADLO CC1(C)c2ccccc2CC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000552678416 1039434764 /nfs/dbraw/zinc/43/47/64/1039434764.db2.gz IVCHBEFAHZNTKY-UHFFFAOYSA-N 1 2 333.435 3.954 20 0 EHADLO CC1(C)c2ccccc2CC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000552678416 1039434773 /nfs/dbraw/zinc/43/47/73/1039434773.db2.gz IVCHBEFAHZNTKY-UHFFFAOYSA-N 1 2 333.435 3.954 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cn(-c2ccc(C)cc2)nn1 ZINC000906287843 1039451048 /nfs/dbraw/zinc/45/10/48/1039451048.db2.gz FBRQYOBBNYZEDD-MRXNPFEDSA-N 1 2 336.439 3.744 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccc(C)cc3)nn2)cc1F ZINC000906287351 1039451159 /nfs/dbraw/zinc/45/11/59/1039451159.db2.gz QLTJHVIYLSZVCW-AWEZNQCLSA-N 1 2 340.402 3.574 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542682 1039462401 /nfs/dbraw/zinc/46/24/01/1039462401.db2.gz DIFHKGRIEKEGPK-NVXWUHKLSA-N 1 2 341.459 3.664 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543745 1039464286 /nfs/dbraw/zinc/46/42/86/1039464286.db2.gz CLIHMQOUQOPUNY-GDBMZVCRSA-N 1 2 341.459 3.663 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000554571966 1039494263 /nfs/dbraw/zinc/49/42/63/1039494263.db2.gz XHZQELFQLGOKPD-QGZVFWFLSA-N 1 2 331.847 3.760 20 0 EHADLO O=C1CC[C@@H]2C[N@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@H]2N1 ZINC000668543598 1039498289 /nfs/dbraw/zinc/49/82/89/1039498289.db2.gz WOKSSZUTBOQPGN-NOZJJQNGSA-N 1 2 347.673 3.747 20 0 EHADLO O=C1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@H]2N1 ZINC000668543598 1039498297 /nfs/dbraw/zinc/49/82/97/1039498297.db2.gz WOKSSZUTBOQPGN-NOZJJQNGSA-N 1 2 347.673 3.747 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485748506 1039509705 /nfs/dbraw/zinc/50/97/05/1039509705.db2.gz FPOVQXNTUZSVIL-IGNZVWTISA-N 1 2 338.442 3.899 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485748506 1039509719 /nfs/dbraw/zinc/50/97/19/1039509719.db2.gz FPOVQXNTUZSVIL-IGNZVWTISA-N 1 2 338.442 3.899 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(N)c1Cl ZINC001142592141 1039530866 /nfs/dbraw/zinc/53/08/66/1039530866.db2.gz GRLJYWAREHSBHA-UHFFFAOYSA-N 1 2 326.787 3.873 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000488998910 1039532632 /nfs/dbraw/zinc/53/26/32/1039532632.db2.gz BHPZFMSUDRMHKE-ZDUSSCGKSA-N 1 2 333.432 3.598 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000488998910 1039532645 /nfs/dbraw/zinc/53/26/45/1039532645.db2.gz BHPZFMSUDRMHKE-ZDUSSCGKSA-N 1 2 333.432 3.598 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(C)c2Cl)c1C ZINC000488981356 1039534221 /nfs/dbraw/zinc/53/42/21/1039534221.db2.gz MWOFCBULEGUGRF-UHFFFAOYSA-N 1 2 346.858 3.870 20 0 EHADLO O=C(Nc1ccc2ccoc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000584699145 1039548224 /nfs/dbraw/zinc/54/82/24/1039548224.db2.gz NFEKNYDQAGSXMS-UHFFFAOYSA-N 1 2 336.395 3.618 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417223782 1039557799 /nfs/dbraw/zinc/55/77/99/1039557799.db2.gz LSCLIJSZVKWJFN-CQSZACIVSA-N 1 2 342.468 3.512 20 0 EHADLO Cc1cc(N2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000552866646 1039585340 /nfs/dbraw/zinc/58/53/40/1039585340.db2.gz KZNNCYQOITWATM-UHFFFAOYSA-N 1 2 346.519 3.629 20 0 EHADLO Cc1sc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nc1C(C)C ZINC000667369554 1039603598 /nfs/dbraw/zinc/60/35/98/1039603598.db2.gz YJVRMSSLWUXYPC-UHFFFAOYSA-N 1 2 333.461 3.710 20 0 EHADLO C[N@H+](CCc1ccccc1F)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000781885699 1039618699 /nfs/dbraw/zinc/61/86/99/1039618699.db2.gz FTYJOMARLJJQIU-UHFFFAOYSA-N 1 2 347.340 3.828 20 0 EHADLO C[N@@H+](CCc1ccccc1F)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000781885699 1039618715 /nfs/dbraw/zinc/61/87/15/1039618715.db2.gz FTYJOMARLJJQIU-UHFFFAOYSA-N 1 2 347.340 3.828 20 0 EHADLO Fc1ccc(F)c2c1CC[N@H+](Cc1ccc(O[C@H]3CCOC3)cc1)C2 ZINC000667683018 1039628806 /nfs/dbraw/zinc/62/88/06/1039628806.db2.gz CJSIUAUJMNWJBU-INIZCTEOSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1ccc(F)c2c1CC[N@@H+](Cc1ccc(O[C@H]3CCOC3)cc1)C2 ZINC000667683018 1039628813 /nfs/dbraw/zinc/62/88/13/1039628813.db2.gz CJSIUAUJMNWJBU-INIZCTEOSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(F)c1F ZINC000667687204 1039634667 /nfs/dbraw/zinc/63/46/67/1039634667.db2.gz DSHMRYDYNFCFES-HNNXBMFYSA-N 1 2 343.389 3.654 20 0 EHADLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000898903840 1039691247 /nfs/dbraw/zinc/69/12/47/1039691247.db2.gz KYZMNGXDMBFMNC-LLVKDONJSA-N 1 2 340.254 3.845 20 0 EHADLO CC(C)(CNC(=O)CCCc1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898906717 1039695143 /nfs/dbraw/zinc/69/51/43/1039695143.db2.gz OIHBEELGRBWOMX-UHFFFAOYSA-N 1 2 335.451 3.911 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000247767365 1039695396 /nfs/dbraw/zinc/69/53/96/1039695396.db2.gz LTBDCLQLBAFCJS-UHFFFAOYSA-N 1 2 330.378 3.783 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1CCC=CCCC1)c1ccccc1 ZINC000906842236 1039774658 /nfs/dbraw/zinc/77/46/58/1039774658.db2.gz VQPGAIMUIPFHST-RBUKOAKNSA-N 1 2 337.467 3.957 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1F ZINC000554842637 1039796794 /nfs/dbraw/zinc/79/67/94/1039796794.db2.gz AAOGODWPAPOYFE-AWEZNQCLSA-N 1 2 344.352 3.819 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1F ZINC000554842637 1039796813 /nfs/dbraw/zinc/79/68/13/1039796813.db2.gz AAOGODWPAPOYFE-AWEZNQCLSA-N 1 2 344.352 3.819 20 0 EHADLO COC(=O)c1ccccc1OCCSCc1ccc(C)[nH+]c1C ZINC000478917525 1039813185 /nfs/dbraw/zinc/81/31/85/1039813185.db2.gz MOQAZAPCTQEZTG-UHFFFAOYSA-N 1 2 331.437 3.797 20 0 EHADLO Cc1cc(F)cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000152940953 1039817335 /nfs/dbraw/zinc/81/73/35/1039817335.db2.gz MGAYHGHMKNHQHZ-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)nc2C)cc1 ZINC000549770504 1039822057 /nfs/dbraw/zinc/82/20/57/1039822057.db2.gz JDUGYQQLWRECBF-UHFFFAOYSA-N 1 2 325.456 3.892 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)nc2C)cc1 ZINC000549770504 1039822085 /nfs/dbraw/zinc/82/20/85/1039822085.db2.gz JDUGYQQLWRECBF-UHFFFAOYSA-N 1 2 325.456 3.892 20 0 EHADLO CC(C)n1cc(Cl)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC001626234126 1039869699 /nfs/dbraw/zinc/86/96/99/1039869699.db2.gz LGTZUWZNVLXSDX-UHFFFAOYSA-N 1 2 343.818 3.615 20 0 EHADLO [NH3+][C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(F)F ZINC000912395753 1039871201 /nfs/dbraw/zinc/87/12/01/1039871201.db2.gz SSKMXBRDBWBDMY-NWDGAFQWSA-N 1 2 337.197 3.639 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2cn(CC)nc21 ZINC001143604853 1039955021 /nfs/dbraw/zinc/95/50/21/1039955021.db2.gz FULGDTQWLYAFSG-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2cn(CC)nc21 ZINC001143604853 1039955036 /nfs/dbraw/zinc/95/50/36/1039955036.db2.gz FULGDTQWLYAFSG-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000907209842 1039956998 /nfs/dbraw/zinc/95/69/98/1039956998.db2.gz HPBHSDZXIBMDBW-HNAYVOBHSA-N 1 2 342.439 3.521 20 0 EHADLO Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2[nH+]1 ZINC000486206783 1039976916 /nfs/dbraw/zinc/97/69/16/1039976916.db2.gz UQEUZXFWRRMPQG-AWEZNQCLSA-N 1 2 338.382 3.939 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1(C)C ZINC000907378374 1040031295 /nfs/dbraw/zinc/03/12/95/1040031295.db2.gz ZXBRDCJJNBCXSB-INIZCTEOSA-N 1 2 340.471 3.503 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000553406682 1040048143 /nfs/dbraw/zinc/04/81/43/1040048143.db2.gz ISRDEMFKXTZVSO-SFHVURJKSA-N 1 2 347.409 3.642 20 0 EHADLO CCC1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000460184246 1040092443 /nfs/dbraw/zinc/09/24/43/1040092443.db2.gz OZFXAIIMBBECDW-KRWDZBQOSA-N 1 2 331.460 3.605 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(C)o1 ZINC000660252938 1040093776 /nfs/dbraw/zinc/09/37/76/1040093776.db2.gz ZSINCXBIHYZQKW-ZDUSSCGKSA-N 1 2 329.318 3.806 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000419214203 1040157833 /nfs/dbraw/zinc/15/78/33/1040157833.db2.gz XFQAQXKCEVHDGM-MSOLQXFVSA-N 1 2 329.444 3.539 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000419214203 1040157841 /nfs/dbraw/zinc/15/78/41/1040157841.db2.gz XFQAQXKCEVHDGM-MSOLQXFVSA-N 1 2 329.444 3.539 20 0 EHADLO CCC(C)(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000907773510 1040163873 /nfs/dbraw/zinc/16/38/73/1040163873.db2.gz UTSRTOKUKLHMMA-UHFFFAOYSA-N 1 2 339.439 3.830 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899205383 1040165745 /nfs/dbraw/zinc/16/57/45/1040165745.db2.gz MBRGMEYRIDQWQT-MGPQQGTHSA-N 1 2 345.393 3.586 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899205383 1040165755 /nfs/dbraw/zinc/16/57/55/1040165755.db2.gz MBRGMEYRIDQWQT-MGPQQGTHSA-N 1 2 345.393 3.586 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660264726 1040167465 /nfs/dbraw/zinc/16/74/65/1040167465.db2.gz DSZWCOHDOHIWAQ-OAHLLOKOSA-N 1 2 341.503 3.936 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)[nH]1 ZINC000907813918 1040180988 /nfs/dbraw/zinc/18/09/88/1040180988.db2.gz BXFAWDJTINQNPT-HNNXBMFYSA-N 1 2 340.471 3.690 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)[nH]1 ZINC000907813918 1040180994 /nfs/dbraw/zinc/18/09/94/1040180994.db2.gz BXFAWDJTINQNPT-HNNXBMFYSA-N 1 2 340.471 3.690 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1Cc2ccccc21 ZINC000907815902 1040184235 /nfs/dbraw/zinc/18/42/35/1040184235.db2.gz OFKPSGLDBIMAML-AEFFLSMTSA-N 1 2 349.478 3.771 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1Cc2ccccc21 ZINC000907815902 1040184247 /nfs/dbraw/zinc/18/42/47/1040184247.db2.gz OFKPSGLDBIMAML-AEFFLSMTSA-N 1 2 349.478 3.771 20 0 EHADLO Fc1ccc(/C=C/C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000162856609 1040189903 /nfs/dbraw/zinc/18/99/03/1040189903.db2.gz JOQJHHVWRXKYOM-SNAWJCMRSA-N 1 2 340.442 3.536 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000479388417 1040192130 /nfs/dbraw/zinc/19/21/30/1040192130.db2.gz WLFLNKLFHNILKF-KCTSRDHCSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000479388417 1040192140 /nfs/dbraw/zinc/19/21/40/1040192140.db2.gz WLFLNKLFHNILKF-KCTSRDHCSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1cnc2c(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cccc2c1Cl ZINC000912751905 1040222746 /nfs/dbraw/zinc/22/27/46/1040222746.db2.gz UQKIUQUWXWVEIS-GFCCVEGCSA-N 1 2 340.814 3.594 20 0 EHADLO Cc1cnc2c(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cccc2c1Cl ZINC000912751367 1040222902 /nfs/dbraw/zinc/22/29/02/1040222902.db2.gz FUTRRKATYOHBAP-GFCCVEGCSA-N 1 2 340.814 3.594 20 0 EHADLO CC[C@@H](CC(F)F)C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000660294184 1040268828 /nfs/dbraw/zinc/26/88/28/1040268828.db2.gz SAJQDHBGRXDZIW-STQMWFEESA-N 1 2 331.428 3.703 20 0 EHADLO CC[C@@H](CC(F)F)C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000660294184 1040268848 /nfs/dbraw/zinc/26/88/48/1040268848.db2.gz SAJQDHBGRXDZIW-STQMWFEESA-N 1 2 331.428 3.703 20 0 EHADLO Cc1cccc2[nH]c(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)cc21 ZINC000667498886 1040273680 /nfs/dbraw/zinc/27/36/80/1040273680.db2.gz WJKYIFPBHUGEHV-UHFFFAOYSA-N 1 2 327.472 3.557 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091379 1040351590 /nfs/dbraw/zinc/35/15/90/1040351590.db2.gz PVGQVMMGLXHWSH-BDAKNGLRSA-N 1 2 337.411 3.506 20 0 EHADLO Cn1cc(Br)c(C[NH+]2CCC(C3CCCC3)CC2)n1 ZINC000644995073 1040353149 /nfs/dbraw/zinc/35/31/49/1040353149.db2.gz WPFJZEYDEBGWOR-UHFFFAOYSA-N 1 2 326.282 3.585 20 0 EHADLO Brc1cccc([C@@H]2CCCN2Cc2c[nH+]c3n2CCC3)c1 ZINC000667511484 1040362437 /nfs/dbraw/zinc/36/24/37/1040362437.db2.gz NLQPIRJHZLMKFW-INIZCTEOSA-N 1 2 346.272 3.929 20 0 EHADLO O=C(Nc1cc(C2CC2)ccn1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908296475 1040391972 /nfs/dbraw/zinc/39/19/72/1040391972.db2.gz PMBAPAZSCSOALE-UHFFFAOYSA-N 1 2 347.422 3.520 20 0 EHADLO Fc1ccc2nc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)sc2c1 ZINC000668684310 1040460796 /nfs/dbraw/zinc/46/07/96/1040460796.db2.gz GEMSZTCNPUCESR-UHFFFAOYSA-N 1 2 332.444 3.826 20 0 EHADLO Fc1ccc2nc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)sc2c1 ZINC000668684310 1040460808 /nfs/dbraw/zinc/46/08/08/1040460808.db2.gz GEMSZTCNPUCESR-UHFFFAOYSA-N 1 2 332.444 3.826 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000448641214 1040470620 /nfs/dbraw/zinc/47/06/20/1040470620.db2.gz YKFZIKWSBCGZKY-OALUTQOASA-N 1 2 339.483 3.807 20 0 EHADLO Cc1c(NCC2CC(F)(F)C2)nc[nH+]c1NCC1CC(F)(F)C1 ZINC000663930362 1040479207 /nfs/dbraw/zinc/47/92/07/1040479207.db2.gz ISWREBDPZCWCCL-UHFFFAOYSA-N 1 2 332.345 3.699 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027011 1040493485 /nfs/dbraw/zinc/49/34/85/1040493485.db2.gz JDFYZIMRDRBGQJ-BXKMTCNYSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027011 1040493496 /nfs/dbraw/zinc/49/34/96/1040493496.db2.gz JDFYZIMRDRBGQJ-BXKMTCNYSA-N 1 2 349.540 3.989 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000663928360 1040493683 /nfs/dbraw/zinc/49/36/83/1040493683.db2.gz XAWMPOXGCTVPGG-QFIPXVFZSA-N 1 2 347.462 3.639 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)NCCCCn1cc[nH+]c1 ZINC000663933561 1040518285 /nfs/dbraw/zinc/51/82/85/1040518285.db2.gz PIYVFXAEIQVZOO-UHFFFAOYSA-N 1 2 330.819 3.536 20 0 EHADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143509073 1040518744 /nfs/dbraw/zinc/51/87/44/1040518744.db2.gz ZWCAGTRUIIJONF-CYBMUJFWSA-N 1 2 348.796 3.849 20 0 EHADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143509073 1040518761 /nfs/dbraw/zinc/51/87/61/1040518761.db2.gz ZWCAGTRUIIJONF-CYBMUJFWSA-N 1 2 348.796 3.849 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261639 1040571594 /nfs/dbraw/zinc/57/15/94/1040571594.db2.gz VLIZGBAHXWRVCJ-DYESRHJHSA-N 1 2 339.483 3.826 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261639 1040571606 /nfs/dbraw/zinc/57/16/06/1040571606.db2.gz VLIZGBAHXWRVCJ-DYESRHJHSA-N 1 2 339.483 3.826 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000512703607 1040574974 /nfs/dbraw/zinc/57/49/74/1040574974.db2.gz GBSNHSGZRDQHHC-JCYILVPMSA-N 1 2 331.504 3.947 20 0 EHADLO CCCC1CCC(N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000479756219 1040575461 /nfs/dbraw/zinc/57/54/61/1040575461.db2.gz ZPQGVEWMIJEWMM-ADKAHSJRSA-N 1 2 344.503 3.661 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000418096722 1040577293 /nfs/dbraw/zinc/57/72/93/1040577293.db2.gz WCLNNEIAPWPNMN-UHFFFAOYSA-N 1 2 347.768 3.531 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000418125552 1040615229 /nfs/dbraw/zinc/61/52/29/1040615229.db2.gz NXFUKYVWJQOMJP-XQQFMLRXSA-N 1 2 329.893 3.610 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000418125552 1040615240 /nfs/dbraw/zinc/61/52/40/1040615240.db2.gz NXFUKYVWJQOMJP-XQQFMLRXSA-N 1 2 329.893 3.610 20 0 EHADLO Cc1cccc(C[NH+](CCOCC2CCC2)Cc2cccc(C)n2)n1 ZINC000419231926 1040651548 /nfs/dbraw/zinc/65/15/48/1040651548.db2.gz DLMKBPJPMSEENS-UHFFFAOYSA-N 1 2 339.483 3.912 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@]1(C)CO ZINC000668736806 1040702942 /nfs/dbraw/zinc/70/29/42/1040702942.db2.gz HHIDMPFTDCFHQQ-QPUJVOFHSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@]1(C)CO ZINC000668736806 1040702949 /nfs/dbraw/zinc/70/29/49/1040702949.db2.gz HHIDMPFTDCFHQQ-QPUJVOFHSA-N 1 2 338.698 3.614 20 0 EHADLO CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H](C)c1cccc(O)c1 ZINC000162594330 1040715073 /nfs/dbraw/zinc/71/50/73/1040715073.db2.gz MRISQKSNFFVXPE-CQSZACIVSA-N 1 2 342.443 3.777 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(Cl)cc1F ZINC000433110057 1040770950 /nfs/dbraw/zinc/77/09/50/1040770950.db2.gz NQISIABPRFFXEO-UHFFFAOYSA-N 1 2 343.789 3.905 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000490857191 1040793402 /nfs/dbraw/zinc/79/34/02/1040793402.db2.gz SMVCHQVTOFKUOR-TWGQIWQCSA-N 1 2 341.842 3.533 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)CCCc2ccccc2)cs1 ZINC000051852697 1040797846 /nfs/dbraw/zinc/79/78/46/1040797846.db2.gz GREWDQMBFGJXFS-UHFFFAOYSA-N 1 2 331.485 3.581 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)CCCc2ccccc2)cs1 ZINC000051852697 1040797864 /nfs/dbraw/zinc/79/78/64/1040797864.db2.gz GREWDQMBFGJXFS-UHFFFAOYSA-N 1 2 331.485 3.581 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)[C@@H]1SC ZINC000600189415 1040799706 /nfs/dbraw/zinc/79/97/06/1040799706.db2.gz GHDMLEGCULQRJX-JONQDZQNSA-N 1 2 329.456 3.752 20 0 EHADLO COc1c(O)cccc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000491075078 1040885233 /nfs/dbraw/zinc/88/52/33/1040885233.db2.gz HAMVIBCPUFEKOQ-UHFFFAOYSA-N 1 2 341.329 3.931 20 0 EHADLO COc1c(O)cccc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000491075078 1040885252 /nfs/dbraw/zinc/88/52/52/1040885252.db2.gz HAMVIBCPUFEKOQ-UHFFFAOYSA-N 1 2 341.329 3.931 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)C2CC2)o1 ZINC000613739916 1040912864 /nfs/dbraw/zinc/91/28/64/1040912864.db2.gz FEYVHWLGDVCLKG-INIZCTEOSA-N 1 2 340.467 3.608 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)C2CC2)o1 ZINC000613739916 1040912874 /nfs/dbraw/zinc/91/28/74/1040912874.db2.gz FEYVHWLGDVCLKG-INIZCTEOSA-N 1 2 340.467 3.608 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc2ccccc21 ZINC000899653633 1040919010 /nfs/dbraw/zinc/91/90/10/1040919010.db2.gz CRZCTVOSHYHSJP-QRVBRYPASA-N 1 2 333.435 3.944 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c[nH+]1 ZINC000570901344 1040972689 /nfs/dbraw/zinc/97/26/89/1040972689.db2.gz FEZGYVZRVUAQCC-KOMQPUFPSA-N 1 2 327.403 3.583 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000481506545 1040983505 /nfs/dbraw/zinc/98/35/05/1040983505.db2.gz JARPHPRNAORBNM-QAPCUYQASA-N 1 2 335.517 3.996 20 0 EHADLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)c1c(Cl)cccc1Cl ZINC000586749497 1040995855 /nfs/dbraw/zinc/99/58/55/1040995855.db2.gz DWTZPSAFPQZMOM-LLVKDONJSA-N 1 2 338.238 3.720 20 0 EHADLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc(C)n1 ZINC000659854456 1041016283 /nfs/dbraw/zinc/01/62/83/1041016283.db2.gz ZKFHDLZQFYUEPR-PHIMTYICSA-N 1 2 341.299 3.656 20 0 EHADLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc(C)n1 ZINC000659854456 1041016296 /nfs/dbraw/zinc/01/62/96/1041016296.db2.gz ZKFHDLZQFYUEPR-PHIMTYICSA-N 1 2 341.299 3.656 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000419275834 1041046520 /nfs/dbraw/zinc/04/65/20/1041046520.db2.gz DXMADXSVSYUOQM-HNAYVOBHSA-N 1 2 344.455 3.518 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487696650 1041056135 /nfs/dbraw/zinc/05/61/35/1041056135.db2.gz YAJQIBANFDZYOP-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)c(F)c(Br)c2)c[nH+]1 ZINC001175345824 1132629031 /nfs/dbraw/zinc/62/90/31/1132629031.db2.gz JWPITODGHRFTCD-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCCCC[C@@H]2C)c(=S)n1C ZINC000738221921 1041089843 /nfs/dbraw/zinc/08/98/43/1041089843.db2.gz FDPYIWSWISGUTD-AWEZNQCLSA-N 1 2 346.500 3.849 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCCCC[C@@H]2C)c(=S)n1C ZINC000738221921 1041089864 /nfs/dbraw/zinc/08/98/64/1041089864.db2.gz FDPYIWSWISGUTD-AWEZNQCLSA-N 1 2 346.500 3.849 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc(Cl)s1 ZINC000481572010 1041095317 /nfs/dbraw/zinc/09/53/17/1041095317.db2.gz MEVCNSAZDZVKOU-OAHLLOKOSA-N 1 2 337.872 3.626 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000433247746 1041156631 /nfs/dbraw/zinc/15/66/31/1041156631.db2.gz PHLJIAPBIWOSLG-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000433247746 1041156639 /nfs/dbraw/zinc/15/66/39/1041156639.db2.gz PHLJIAPBIWOSLG-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858398 1041180527 /nfs/dbraw/zinc/18/05/27/1041180527.db2.gz MTWCGLUZLFCEEQ-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858398 1041180530 /nfs/dbraw/zinc/18/05/30/1041180530.db2.gz MTWCGLUZLFCEEQ-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO CC[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1F ZINC000664064903 1041201932 /nfs/dbraw/zinc/20/19/32/1041201932.db2.gz NOBRMMDGRQAUKR-INIZCTEOSA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1F ZINC000664064903 1041201947 /nfs/dbraw/zinc/20/19/47/1041201947.db2.gz NOBRMMDGRQAUKR-INIZCTEOSA-N 1 2 344.434 3.530 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H]1c1ccccn1 ZINC000571160235 1041208177 /nfs/dbraw/zinc/20/81/77/1041208177.db2.gz MEEAMQZXRMNNGD-IEBWSBKVSA-N 1 2 346.434 3.690 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1coc2ccccc12 ZINC000113035552 1041209536 /nfs/dbraw/zinc/20/95/36/1041209536.db2.gz XRYJWJHZMDLWNY-UHFFFAOYSA-N 1 2 347.374 3.961 20 0 EHADLO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660422267 1041223197 /nfs/dbraw/zinc/22/31/97/1041223197.db2.gz CRDLKWZKGLRHKO-AWEZNQCLSA-N 1 2 347.684 3.625 20 0 EHADLO CCC[C@@]1(CO)CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660422267 1041223217 /nfs/dbraw/zinc/22/32/17/1041223217.db2.gz CRDLKWZKGLRHKO-AWEZNQCLSA-N 1 2 347.684 3.625 20 0 EHADLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000412079872 1041241127 /nfs/dbraw/zinc/24/11/27/1041241127.db2.gz KKRPBVVHMSFHGL-OXJNMPFZSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000412079872 1041241144 /nfs/dbraw/zinc/24/11/44/1041241144.db2.gz KKRPBVVHMSFHGL-OXJNMPFZSA-N 1 2 343.492 3.561 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571295955 1041258256 /nfs/dbraw/zinc/25/82/56/1041258256.db2.gz FFGCDLRTNGOALE-SNVBAGLBSA-N 1 2 341.333 3.645 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571295955 1041258271 /nfs/dbraw/zinc/25/82/71/1041258271.db2.gz FFGCDLRTNGOALE-SNVBAGLBSA-N 1 2 341.333 3.645 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000052009724 1041275422 /nfs/dbraw/zinc/27/54/22/1041275422.db2.gz WQFKXDPAHQMPAL-QZTJIDSGSA-N 1 2 341.455 3.778 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000052009724 1041275445 /nfs/dbraw/zinc/27/54/45/1041275445.db2.gz WQFKXDPAHQMPAL-QZTJIDSGSA-N 1 2 341.455 3.778 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1coc2ccccc12 ZINC000113047439 1041319619 /nfs/dbraw/zinc/31/96/19/1041319619.db2.gz WPMMADJTNFMMIE-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428745678 1041346468 /nfs/dbraw/zinc/34/64/68/1041346468.db2.gz BZILKBOEIQKYQM-HIFRSBDPSA-N 1 2 328.790 3.564 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428745678 1041346476 /nfs/dbraw/zinc/34/64/76/1041346476.db2.gz BZILKBOEIQKYQM-HIFRSBDPSA-N 1 2 328.790 3.564 20 0 EHADLO C[C@@]12CC[N@H+](Cc3csc(Nc4ccccc4)n3)C[C@@H]1C2(F)F ZINC000428748503 1041350271 /nfs/dbraw/zinc/35/02/71/1041350271.db2.gz GBKDMLGVAYWKQU-GOEBONIOSA-N 1 2 335.423 3.786 20 0 EHADLO C[C@@]12CC[N@@H+](Cc3csc(Nc4ccccc4)n3)C[C@@H]1C2(F)F ZINC000428748503 1041350281 /nfs/dbraw/zinc/35/02/81/1041350281.db2.gz GBKDMLGVAYWKQU-GOEBONIOSA-N 1 2 335.423 3.786 20 0 EHADLO OCCC[N@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCCc2ccccc21 ZINC000508821604 1041355875 /nfs/dbraw/zinc/35/58/75/1041355875.db2.gz HLSBVMZCMVYTFX-SFHVURJKSA-N 1 2 347.405 3.932 20 0 EHADLO OCCC[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCCc2ccccc21 ZINC000508821604 1041355887 /nfs/dbraw/zinc/35/58/87/1041355887.db2.gz HLSBVMZCMVYTFX-SFHVURJKSA-N 1 2 347.405 3.932 20 0 EHADLO CCOC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000428743328 1041359187 /nfs/dbraw/zinc/35/91/87/1041359187.db2.gz JWQKHIJWQPKDDZ-AWEZNQCLSA-N 1 2 338.879 3.866 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)n(C(C)(C)C)n1 ZINC000500417678 1041407334 /nfs/dbraw/zinc/40/73/34/1041407334.db2.gz AFMZKBOJSQRDRC-CQSZACIVSA-N 1 2 346.450 3.717 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)n(C(C)(C)C)n1 ZINC000500417678 1041407341 /nfs/dbraw/zinc/40/73/41/1041407341.db2.gz AFMZKBOJSQRDRC-CQSZACIVSA-N 1 2 346.450 3.717 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093638497 1041422016 /nfs/dbraw/zinc/42/20/16/1041422016.db2.gz USPFEIJBQPBEHO-QFIPXVFZSA-N 1 2 347.462 3.730 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093638497 1041422025 /nfs/dbraw/zinc/42/20/25/1041422025.db2.gz USPFEIJBQPBEHO-QFIPXVFZSA-N 1 2 347.462 3.730 20 0 EHADLO CCN(Cc1ccc(OC)c(OC)c1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000432049753 1041483595 /nfs/dbraw/zinc/48/35/95/1041483595.db2.gz XFIQEWSTEWUUFR-UHFFFAOYSA-N 1 2 327.428 3.706 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231778 1041534818 /nfs/dbraw/zinc/53/48/18/1041534818.db2.gz LQDMWMMRUJSOPZ-STQMWFEESA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231778 1041534827 /nfs/dbraw/zinc/53/48/27/1041534827.db2.gz LQDMWMMRUJSOPZ-STQMWFEESA-N 1 2 346.374 3.599 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000432086789 1041569134 /nfs/dbraw/zinc/56/91/34/1041569134.db2.gz APSAZSWAMZUOOK-ZACQAIPSSA-N 1 2 345.487 3.638 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000432092656 1041582054 /nfs/dbraw/zinc/58/20/54/1041582054.db2.gz QAFCVOPXMLYKJI-RDJZCZTQSA-N 1 2 343.471 3.510 20 0 EHADLO CC[C@H](CC(F)F)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000660554577 1041662765 /nfs/dbraw/zinc/66/27/65/1041662765.db2.gz XIGIBYDVVRBGGK-CHWSQXEVSA-N 1 2 326.435 3.994 20 0 EHADLO CC[C@H](CC(F)F)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000660554577 1041662767 /nfs/dbraw/zinc/66/27/67/1041662767.db2.gz XIGIBYDVVRBGGK-CHWSQXEVSA-N 1 2 326.435 3.994 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561701 1041673957 /nfs/dbraw/zinc/67/39/57/1041673957.db2.gz VKGWAIULZRZVQQ-HIFRSBDPSA-N 1 2 345.361 3.526 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561701 1041673961 /nfs/dbraw/zinc/67/39/61/1041673961.db2.gz VKGWAIULZRZVQQ-HIFRSBDPSA-N 1 2 345.361 3.526 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000333095801 1041725037 /nfs/dbraw/zinc/72/50/37/1041725037.db2.gz DMNYRSSHQDDKPE-HYEGPXJVSA-N 1 2 338.455 3.600 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccnc1 ZINC000660639546 1041744414 /nfs/dbraw/zinc/74/44/14/1041744414.db2.gz NDUQZABGOJOKPT-IBGZPJMESA-N 1 2 337.423 3.586 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000660707351 1041784191 /nfs/dbraw/zinc/78/41/91/1041784191.db2.gz GEJULENTOPBISA-MLGOLLRUSA-N 1 2 337.851 3.752 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000660707351 1041784196 /nfs/dbraw/zinc/78/41/96/1041784196.db2.gz GEJULENTOPBISA-MLGOLLRUSA-N 1 2 337.851 3.752 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2c(F)cccc2Cl)cc1F ZINC000651692645 1041931830 /nfs/dbraw/zinc/93/18/30/1041931830.db2.gz MVTUBMGJVQXDEW-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000045498206 1042096490 /nfs/dbraw/zinc/09/64/90/1042096490.db2.gz DTHWRSMZBAPPKI-UHFFFAOYSA-N 1 2 326.440 3.632 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1cscn1 ZINC000661420850 1042112810 /nfs/dbraw/zinc/11/28/10/1042112810.db2.gz WFXANFQLAQBCML-DYEKYZERSA-N 1 2 335.498 3.607 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1cscn1 ZINC000661424012 1042113509 /nfs/dbraw/zinc/11/35/09/1042113509.db2.gz JZRALIXHLFWRNQ-KBPBESRZSA-N 1 2 339.464 3.824 20 0 EHADLO CCCCc1nc(C[NH2+][C@H](COC)c2cccc(OC)c2)cs1 ZINC000661478450 1042139983 /nfs/dbraw/zinc/13/99/83/1042139983.db2.gz MFYLNBRGARKCGT-QGZVFWFLSA-N 1 2 334.485 3.972 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511890 1042164980 /nfs/dbraw/zinc/16/49/80/1042164980.db2.gz NFEHEIXRAJYFGY-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511890 1042164984 /nfs/dbraw/zinc/16/49/84/1042164984.db2.gz NFEHEIXRAJYFGY-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO FC1(F)C(F)(F)C12CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000651901173 1042165176 /nfs/dbraw/zinc/16/51/76/1042165176.db2.gz YZBLRTQCGABDJZ-UHFFFAOYSA-N 1 2 342.130 3.909 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533791 1042172764 /nfs/dbraw/zinc/17/27/64/1042172764.db2.gz APBPCCWJLLTOPY-CQSZACIVSA-N 1 2 336.361 3.578 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533791 1042172766 /nfs/dbraw/zinc/17/27/66/1042172766.db2.gz APBPCCWJLLTOPY-CQSZACIVSA-N 1 2 336.361 3.578 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C)cc1C ZINC000613801887 1042181095 /nfs/dbraw/zinc/18/10/95/1042181095.db2.gz IZCNCLQTEQELAX-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C)cc1C ZINC000613801887 1042181097 /nfs/dbraw/zinc/18/10/97/1042181097.db2.gz IZCNCLQTEQELAX-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000066889589 1042205759 /nfs/dbraw/zinc/20/57/59/1042205759.db2.gz LOCFIFHOXYXRPR-FQEVSTJZSA-N 1 2 346.434 3.919 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+](C)CC3=CCCOC3)n2)cc1 ZINC000661657979 1042238452 /nfs/dbraw/zinc/23/84/52/1042238452.db2.gz OKLGWCATBWVTGT-UHFFFAOYSA-N 1 2 327.428 3.639 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)CC3=CCCOC3)n2)cc1 ZINC000661657979 1042238460 /nfs/dbraw/zinc/23/84/60/1042238460.db2.gz OKLGWCATBWVTGT-UHFFFAOYSA-N 1 2 327.428 3.639 20 0 EHADLO Cc1ccc2[nH]c(C[N@@H+]3CCN(C(=O)C4CC4)CC3(C)C)cc2c1C ZINC000473128875 1042238623 /nfs/dbraw/zinc/23/86/23/1042238623.db2.gz QCXDDFGFRBATON-UHFFFAOYSA-N 1 2 339.483 3.618 20 0 EHADLO Cc1ccc2[nH]c(C[N@H+]3CCN(C(=O)C4CC4)CC3(C)C)cc2c1C ZINC000473128875 1042238624 /nfs/dbraw/zinc/23/86/24/1042238624.db2.gz QCXDDFGFRBATON-UHFFFAOYSA-N 1 2 339.483 3.618 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCn1cc(Cl)cn1 ZINC000661735630 1042291199 /nfs/dbraw/zinc/29/11/99/1042291199.db2.gz IAXSZHIJIMXYBF-MRXNPFEDSA-N 1 2 337.826 3.528 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCn1cc(Cl)cn1 ZINC000661735630 1042291204 /nfs/dbraw/zinc/29/12/04/1042291204.db2.gz IAXSZHIJIMXYBF-MRXNPFEDSA-N 1 2 337.826 3.528 20 0 EHADLO COc1cncc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000343881085 1042316101 /nfs/dbraw/zinc/31/61/01/1042316101.db2.gz STFJVTCEFFIJCT-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cncc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000343881085 1042316106 /nfs/dbraw/zinc/31/61/06/1042316106.db2.gz STFJVTCEFFIJCT-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(OC)c1Cl)c1nnc2n1CCCCC2 ZINC000661942600 1042420906 /nfs/dbraw/zinc/42/09/06/1042420906.db2.gz SKGREIFJWFEIDB-AWEZNQCLSA-N 1 2 348.878 3.907 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2ccon2)CC1 ZINC000662042664 1042477271 /nfs/dbraw/zinc/47/72/71/1042477271.db2.gz DBSCYGHKTBVHBR-LLVKDONJSA-N 1 2 330.413 3.727 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000662063421 1042492186 /nfs/dbraw/zinc/49/21/86/1042492186.db2.gz GJIJYKIUDWHYJY-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000662063421 1042492188 /nfs/dbraw/zinc/49/21/88/1042492188.db2.gz GJIJYKIUDWHYJY-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662099422 1042519743 /nfs/dbraw/zinc/51/97/43/1042519743.db2.gz UKKLIINQDJVTEU-INIZCTEOSA-N 1 2 334.261 3.562 20 0 EHADLO Cn1cncc1CCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662099422 1042519748 /nfs/dbraw/zinc/51/97/48/1042519748.db2.gz UKKLIINQDJVTEU-INIZCTEOSA-N 1 2 334.261 3.562 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCc2c(Cl)cc(Cl)cc21 ZINC000662106666 1042521922 /nfs/dbraw/zinc/52/19/22/1042521922.db2.gz HZRSXMNVBZNZHL-UHFFFAOYSA-N 1 2 338.238 3.950 20 0 EHADLO COc1c(F)cccc1C[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001143521864 1042532297 /nfs/dbraw/zinc/53/22/97/1042532297.db2.gz KAYOYBZOLAXOIO-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO COc1c(F)cccc1C[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001143521864 1042532301 /nfs/dbraw/zinc/53/23/01/1042532301.db2.gz KAYOYBZOLAXOIO-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c(O)cccc3F)c2C1 ZINC000185298853 1042632480 /nfs/dbraw/zinc/63/24/80/1042632480.db2.gz MUEOERRVBMPSIA-UHFFFAOYSA-N 1 2 328.387 3.755 20 0 EHADLO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3c(O)cccc3F)c2C1 ZINC000185298853 1042632484 /nfs/dbraw/zinc/63/24/84/1042632484.db2.gz MUEOERRVBMPSIA-UHFFFAOYSA-N 1 2 328.387 3.755 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000343896255 1042659125 /nfs/dbraw/zinc/65/91/25/1042659125.db2.gz VNWLKQZZEINTGQ-IBGZPJMESA-N 1 2 349.434 3.651 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CCO1 ZINC000662370660 1042695511 /nfs/dbraw/zinc/69/55/11/1042695511.db2.gz GJNJRTFIISHQMD-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CCO1 ZINC000662370660 1042695513 /nfs/dbraw/zinc/69/55/13/1042695513.db2.gz GJNJRTFIISHQMD-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067657464 1042697489 /nfs/dbraw/zinc/69/74/89/1042697489.db2.gz WXMPJCBCKUZVBG-KRWDZBQOSA-N 1 2 330.428 3.554 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000162051957 1042704277 /nfs/dbraw/zinc/70/42/77/1042704277.db2.gz FDOVIDUTPZLSOT-UHFFFAOYSA-N 1 2 329.375 3.825 20 0 EHADLO Cc1nc(N[C@H](C)c2nc3ccccc3[nH]2)c(Br)c(C)[nH+]1 ZINC000663368922 1042761932 /nfs/dbraw/zinc/76/19/32/1042761932.db2.gz RTDDMEQEHBUKFY-SECBINFHSA-N 1 2 346.232 3.905 20 0 EHADLO c1ccc(-c2nccnc2NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000663376018 1042766641 /nfs/dbraw/zinc/76/66/41/1042766641.db2.gz ZKRNTTRLQCSRLL-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1nc(C(F)(F)F)cs1 ZINC000278877548 1042810032 /nfs/dbraw/zinc/81/00/32/1042810032.db2.gz VYJPXQVNQJLWBF-QMMMGPOBSA-N 1 2 343.378 3.947 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000278877548 1042810038 /nfs/dbraw/zinc/81/00/38/1042810038.db2.gz VYJPXQVNQJLWBF-QMMMGPOBSA-N 1 2 343.378 3.947 20 0 EHADLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120217 1042859602 /nfs/dbraw/zinc/85/96/02/1042859602.db2.gz DKLWSJVYINCBMI-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120217 1042859605 /nfs/dbraw/zinc/85/96/05/1042859605.db2.gz DKLWSJVYINCBMI-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO CC1(C)C[C@@]1(C[NH2+][C@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000663478047 1042907764 /nfs/dbraw/zinc/90/77/64/1042907764.db2.gz YMPBBEUTRYEARK-VQIMIIECSA-N 1 2 338.480 3.913 20 0 EHADLO Cc1nonc1[C@H](C)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000925778800 1042908287 /nfs/dbraw/zinc/90/82/87/1042908287.db2.gz FAZUYAVEXUFECJ-JTQLQIEISA-N 1 2 336.233 3.871 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C(C)C ZINC000303283346 1042924687 /nfs/dbraw/zinc/92/46/87/1042924687.db2.gz VDLSKRZZKLZHQW-ZBWUASRJSA-N 1 2 328.500 3.916 20 0 EHADLO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2ccon2)CC1 ZINC000278916498 1042937395 /nfs/dbraw/zinc/93/73/95/1042937395.db2.gz UGJUKAUDERYARO-UHFFFAOYSA-N 1 2 334.419 3.825 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)n1 ZINC000343960144 1042952271 /nfs/dbraw/zinc/95/22/71/1042952271.db2.gz HUCIAHMVXISGDD-BBRMVZONSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)n1 ZINC000343960144 1042952277 /nfs/dbraw/zinc/95/22/77/1042952277.db2.gz HUCIAHMVXISGDD-BBRMVZONSA-N 1 2 333.432 3.759 20 0 EHADLO c1coc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)c1 ZINC000343965499 1042966662 /nfs/dbraw/zinc/96/66/62/1042966662.db2.gz JJZABVFTTIBSDR-UHFFFAOYSA-N 1 2 325.437 3.725 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000643251092 1042966916 /nfs/dbraw/zinc/96/69/16/1042966916.db2.gz CYVDRXABHXNWPJ-GFCCVEGCSA-N 1 2 330.819 3.594 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000643251092 1042966922 /nfs/dbraw/zinc/96/69/22/1042966922.db2.gz CYVDRXABHXNWPJ-GFCCVEGCSA-N 1 2 330.819 3.594 20 0 EHADLO CN(C(=O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000344030591 1043125295 /nfs/dbraw/zinc/12/52/95/1043125295.db2.gz DAGMSONLXCDPFP-UHFFFAOYSA-N 1 2 341.282 3.794 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873160 1043252629 /nfs/dbraw/zinc/25/26/29/1043252629.db2.gz IKCXDPLLZUIWOR-WCQYABFASA-N 1 2 345.306 3.687 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873160 1043252641 /nfs/dbraw/zinc/25/26/41/1043252641.db2.gz IKCXDPLLZUIWOR-WCQYABFASA-N 1 2 345.306 3.687 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1cccc(Cl)c1 ZINC000344207635 1043424532 /nfs/dbraw/zinc/42/45/32/1043424532.db2.gz GDVOPZVDONEOHH-OAHLLOKOSA-N 1 2 337.803 3.505 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1csc(C)n1)CCC2 ZINC000618565164 1043444979 /nfs/dbraw/zinc/44/49/79/1043444979.db2.gz DUDYTMVRSPAXRB-CYBMUJFWSA-N 1 2 334.441 3.697 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344220095 1043454878 /nfs/dbraw/zinc/45/48/78/1043454878.db2.gz YQUVDCOVEQSYFB-HNNXBMFYSA-N 1 2 337.427 3.928 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000344236295 1043497964 /nfs/dbraw/zinc/49/79/64/1043497964.db2.gz JWDRUHOITZTDJX-CYBMUJFWSA-N 1 2 344.405 3.786 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000344236295 1043497969 /nfs/dbraw/zinc/49/79/69/1043497969.db2.gz JWDRUHOITZTDJX-CYBMUJFWSA-N 1 2 344.405 3.786 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344282215 1043572824 /nfs/dbraw/zinc/57/28/24/1043572824.db2.gz IVLBHXFSMHXBGJ-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3ccccc3[nH]2)cc1OC ZINC000344304658 1043639302 /nfs/dbraw/zinc/63/93/02/1043639302.db2.gz FGKKQGKOEKAOTG-NSHDSACASA-N 1 2 329.375 3.570 20 0 EHADLO O=C(Nc1nc2ccsc2s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344325266 1043667562 /nfs/dbraw/zinc/66/75/62/1043667562.db2.gz ATBSMVVTYIPMNS-UHFFFAOYSA-N 1 2 326.406 3.796 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(OC(F)F)cc1 ZINC000606583286 1043699244 /nfs/dbraw/zinc/69/92/44/1043699244.db2.gz WADQRHCHMMWAQM-LLVKDONJSA-N 1 2 346.337 3.818 20 0 EHADLO O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162743118 1043775768 /nfs/dbraw/zinc/77/57/68/1043775768.db2.gz YMTBNZKUAOAZKE-UHFFFAOYSA-N 1 2 344.374 3.913 20 0 EHADLO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162771695 1043778437 /nfs/dbraw/zinc/77/84/37/1043778437.db2.gz GPQLQGUVRNTBCG-UHFFFAOYSA-N 1 2 348.406 3.924 20 0 EHADLO CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000162852345 1043808055 /nfs/dbraw/zinc/80/80/55/1043808055.db2.gz PMPMDXREHNUFJT-AWEZNQCLSA-N 1 2 349.390 3.685 20 0 EHADLO CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637380763 1043902750 /nfs/dbraw/zinc/90/27/50/1043902750.db2.gz XYNYJEGNJSDZCX-ROUUACIJSA-N 1 2 340.471 3.710 20 0 EHADLO CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cn1 ZINC000344450224 1044014218 /nfs/dbraw/zinc/01/42/18/1044014218.db2.gz RJSQNEINCXWCSK-UHFFFAOYSA-N 1 2 349.438 3.674 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000111900069 1044059883 /nfs/dbraw/zinc/05/98/83/1044059883.db2.gz UHQQEPIZRHANFU-BEFAXECRSA-N 1 2 338.455 3.506 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(C)o1 ZINC000279444040 1044090926 /nfs/dbraw/zinc/09/09/26/1044090926.db2.gz HRBYLGRMRRDGGO-CHWSQXEVSA-N 1 2 325.416 3.797 20 0 EHADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CCC(F)(F)F ZINC000344583221 1044158855 /nfs/dbraw/zinc/15/88/55/1044158855.db2.gz NOMJDYXCAZTGHW-HXUWFJFHSA-N 1 2 348.217 3.985 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CCC(F)(F)F ZINC000344583221 1044158859 /nfs/dbraw/zinc/15/88/59/1044158859.db2.gz NOMJDYXCAZTGHW-HXUWFJFHSA-N 1 2 348.217 3.985 20 0 EHADLO CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000279551194 1044221860 /nfs/dbraw/zinc/22/18/60/1044221860.db2.gz ANJXVKRVNSVXHG-HIFRSBDPSA-N 1 2 331.391 3.545 20 0 EHADLO CSc1cc(CNc2nc(C)[nH+]c(C)c2Br)ccn1 ZINC000663769418 1044235882 /nfs/dbraw/zinc/23/58/82/1044235882.db2.gz OKVWVFYIMPALPU-UHFFFAOYSA-N 1 2 339.262 3.585 20 0 EHADLO C[N@@H+](Cc1cc(Br)cs1)Cc1cnc(Cl)cn1 ZINC000231278825 1044460741 /nfs/dbraw/zinc/46/07/41/1044460741.db2.gz RSCVHFGGBIUXQR-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[N@H+](Cc1cc(Br)cs1)Cc1cnc(Cl)cn1 ZINC000231278825 1044460732 /nfs/dbraw/zinc/46/07/32/1044460732.db2.gz RSCVHFGGBIUXQR-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000112430159 1044605142 /nfs/dbraw/zinc/60/51/42/1044605142.db2.gz QYPQOALXZLJFFR-GOSISDBHSA-N 1 2 328.460 3.668 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(Br)cn1 ZINC000279797795 1044666645 /nfs/dbraw/zinc/66/66/45/1044666645.db2.gz NACMJLYJROETJV-LLVKDONJSA-N 1 2 345.244 3.582 20 0 EHADLO Cc1cnc([C@H](C)CNc2nc(C)[nH+]c(C)c2Br)s1 ZINC000663797718 1044683038 /nfs/dbraw/zinc/68/30/38/1044683038.db2.gz GNKBOTJEWONSJJ-SSDOTTSWSA-N 1 2 341.278 3.836 20 0 EHADLO C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000620503037 1125584378 /nfs/dbraw/zinc/58/43/78/1125584378.db2.gz WDBCHRCTTXJCRU-IBGZPJMESA-N 1 2 347.462 3.933 20 0 EHADLO CC[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CCN1CC(F)F ZINC000153588238 1125634324 /nfs/dbraw/zinc/63/43/24/1125634324.db2.gz XZESUCIQXJWGCG-LBPRGKRZSA-N 1 2 334.813 3.683 20 0 EHADLO CC[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CCN1CC(F)F ZINC000153588238 1125634329 /nfs/dbraw/zinc/63/43/29/1125634329.db2.gz XZESUCIQXJWGCG-LBPRGKRZSA-N 1 2 334.813 3.683 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000154894741 1125764210 /nfs/dbraw/zinc/76/42/10/1125764210.db2.gz VJAXSOMAKPGVFZ-INIZCTEOSA-N 1 2 343.858 3.855 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000154894741 1125764216 /nfs/dbraw/zinc/76/42/16/1125764216.db2.gz VJAXSOMAKPGVFZ-INIZCTEOSA-N 1 2 343.858 3.855 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1(C)CCCCC1 ZINC000155020559 1125776380 /nfs/dbraw/zinc/77/63/80/1125776380.db2.gz AWZYTXQMEAKYGQ-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO CC(C)n1nccc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000684362475 1126705834 /nfs/dbraw/zinc/70/58/34/1126705834.db2.gz IPANFSLMQNJDBJ-QWRGUYRKSA-N 1 2 329.288 3.637 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546187 1126715982 /nfs/dbraw/zinc/71/59/82/1126715982.db2.gz LCNALFWBPAJUTK-INIZCTEOSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546187 1126715984 /nfs/dbraw/zinc/71/59/84/1126715984.db2.gz LCNALFWBPAJUTK-INIZCTEOSA-N 1 2 334.891 3.641 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622519247 1126714160 /nfs/dbraw/zinc/71/41/60/1126714160.db2.gz XKBZLDGNUMYEGI-HNNXBMFYSA-N 1 2 340.826 3.920 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622519247 1126714164 /nfs/dbraw/zinc/71/41/64/1126714164.db2.gz XKBZLDGNUMYEGI-HNNXBMFYSA-N 1 2 340.826 3.920 20 0 EHADLO O[C@H](COc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1Cl ZINC000185044879 1126743301 /nfs/dbraw/zinc/74/33/01/1126743301.db2.gz CUZKZSDQBCHFIR-QGZVFWFLSA-N 1 2 332.762 3.777 20 0 EHADLO COc1ccc2cccc(CC(=O)NCc3c[nH+]c(C)cc3C)c2c1 ZINC000622667917 1126744316 /nfs/dbraw/zinc/74/43/16/1126744316.db2.gz YKWWMYGSRPWHKU-UHFFFAOYSA-N 1 2 334.419 3.719 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c[nH+]1 ZINC000622667851 1126744397 /nfs/dbraw/zinc/74/43/97/1126744397.db2.gz VXTYFHHOFQXLOD-UHFFFAOYSA-N 1 2 332.831 3.664 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514199 1126741931 /nfs/dbraw/zinc/74/19/31/1126741931.db2.gz ZXACKQPUKKQCCC-DZGCQCFKSA-N 1 2 343.471 3.552 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000072514199 1126741935 /nfs/dbraw/zinc/74/19/35/1126741935.db2.gz ZXACKQPUKKQCCC-DZGCQCFKSA-N 1 2 343.471 3.552 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1C(F)(F)F ZINC000124664546 1126747816 /nfs/dbraw/zinc/74/78/16/1126747816.db2.gz SFLQYPSOCOBFAO-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1C(F)(F)F ZINC000124664546 1126747822 /nfs/dbraw/zinc/74/78/22/1126747822.db2.gz SFLQYPSOCOBFAO-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2C1 ZINC000171346206 1126762753 /nfs/dbraw/zinc/76/27/53/1126762753.db2.gz MKWLWPVJNZTDLI-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2C1 ZINC000171346206 1126762756 /nfs/dbraw/zinc/76/27/56/1126762756.db2.gz MKWLWPVJNZTDLI-UHFFFAOYSA-N 1 2 344.480 3.830 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000172168128 1126783287 /nfs/dbraw/zinc/78/32/87/1126783287.db2.gz XNKDVPIMOYLDCV-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000172168128 1126783290 /nfs/dbraw/zinc/78/32/90/1126783290.db2.gz XNKDVPIMOYLDCV-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240287 1126816115 /nfs/dbraw/zinc/81/61/15/1126816115.db2.gz YCCUXHPFWLOUCH-RHSMWYFYSA-N 1 2 349.438 3.776 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240287 1126816118 /nfs/dbraw/zinc/81/61/18/1126816118.db2.gz YCCUXHPFWLOUCH-RHSMWYFYSA-N 1 2 349.438 3.776 20 0 EHADLO COc1cc(C)nc(C[NH2+]Cc2ccsc2Br)c1 ZINC000337850462 1126828188 /nfs/dbraw/zinc/82/81/88/1126828188.db2.gz JEXHORPOTMCQLU-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC000173890305 1126841972 /nfs/dbraw/zinc/84/19/72/1126841972.db2.gz MATMFVQAHIFFKH-OAHLLOKOSA-N 1 2 329.444 3.752 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCCc3ccccc3C2)n1 ZINC000173890305 1126841976 /nfs/dbraw/zinc/84/19/76/1126841976.db2.gz MATMFVQAHIFFKH-OAHLLOKOSA-N 1 2 329.444 3.752 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(Br)cc(F)c1O ZINC000185300187 1126858101 /nfs/dbraw/zinc/85/81/01/1126858101.db2.gz VUOZVWYEYMXLTN-VIFPVBQESA-N 1 2 340.192 3.850 20 0 EHADLO CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000072723861 1126867724 /nfs/dbraw/zinc/86/77/24/1126867724.db2.gz ZAQVDVNPZFHARD-UHFFFAOYSA-N 1 2 340.467 3.514 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](CC)CCC(F)(F)F)cc1 ZINC000623121759 1126880480 /nfs/dbraw/zinc/88/04/80/1126880480.db2.gz IWLYAZCQTVSPOG-ZDUSSCGKSA-N 1 2 330.394 3.701 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](CC)CCC(F)(F)F)cc1 ZINC000623121759 1126880484 /nfs/dbraw/zinc/88/04/84/1126880484.db2.gz IWLYAZCQTVSPOG-ZDUSSCGKSA-N 1 2 330.394 3.701 20 0 EHADLO Cc1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)c2[nH+]ccn2c1 ZINC000623168379 1126887982 /nfs/dbraw/zinc/88/79/82/1126887982.db2.gz PVSLILVDNWHKOO-AWEZNQCLSA-N 1 2 326.371 3.864 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1OCC ZINC000623234707 1126901073 /nfs/dbraw/zinc/90/10/73/1126901073.db2.gz UFNIPRHFDYTLIK-UHFFFAOYSA-N 1 2 329.444 3.546 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1OCC ZINC000623234707 1126901076 /nfs/dbraw/zinc/90/10/76/1126901076.db2.gz UFNIPRHFDYTLIK-UHFFFAOYSA-N 1 2 329.444 3.546 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000623300173 1126910730 /nfs/dbraw/zinc/91/07/30/1126910730.db2.gz LJRUGHSVSXMZMK-ZDUSSCGKSA-N 1 2 331.847 3.579 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623306312 1126911093 /nfs/dbraw/zinc/91/10/93/1126911093.db2.gz KLXQSGZCOCRLPR-YJBOKZPZSA-N 1 2 325.456 3.631 20 0 EHADLO COc1nc(C)cc(C)c1C[NH2+]Cc1ccsc1Br ZINC000623398465 1126945136 /nfs/dbraw/zinc/94/51/36/1126945136.db2.gz GOGFTOSCKNONQM-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515962 1126973323 /nfs/dbraw/zinc/97/33/23/1126973323.db2.gz XUEJOPPDXARWIQ-UXHICEINSA-N 1 2 343.559 3.750 20 0 EHADLO FC1(F)C[C@]12CC[N@H+](Cc1ccnc(Br)c1Cl)C2 ZINC001238385590 1127037825 /nfs/dbraw/zinc/03/78/25/1127037825.db2.gz VACIGDGKGUIAAK-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO FC1(F)C[C@]12CC[N@@H+](Cc1ccnc(Br)c1Cl)C2 ZINC001238385590 1127037828 /nfs/dbraw/zinc/03/78/28/1127037828.db2.gz VACIGDGKGUIAAK-NSHDSACASA-N 1 2 337.595 3.729 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2[nH+]1 ZINC000349430843 1127040269 /nfs/dbraw/zinc/04/02/69/1127040269.db2.gz UEJVUGIOPCYVNM-UHFFFAOYSA-N 1 2 330.391 3.991 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000179438522 1127063984 /nfs/dbraw/zinc/06/39/84/1127063984.db2.gz ALEASOWUPWVIAP-UHFFFAOYSA-N 1 2 328.847 3.555 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000179438522 1127063987 /nfs/dbraw/zinc/06/39/87/1127063987.db2.gz ALEASOWUPWVIAP-UHFFFAOYSA-N 1 2 328.847 3.555 20 0 EHADLO Cc1oc2nc(C[NH2+]C(C)(C)c3cccc(F)c3)nc(N)c2c1C ZINC000179565973 1127071362 /nfs/dbraw/zinc/07/13/62/1127071362.db2.gz FKUHJCODJLYKKZ-UHFFFAOYSA-N 1 2 328.391 3.586 20 0 EHADLO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179867055 1127096912 /nfs/dbraw/zinc/09/69/12/1127096912.db2.gz JYYUMAXIRDWQJM-UHFFFAOYSA-N 1 2 347.369 3.849 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1C ZINC000179894835 1127098896 /nfs/dbraw/zinc/09/88/96/1127098896.db2.gz CKOZJVRQEBLPOH-VXGBXAGGSA-N 1 2 335.375 3.934 20 0 EHADLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(Cl)c1 ZINC000180215250 1127133130 /nfs/dbraw/zinc/13/31/30/1127133130.db2.gz HUSAEZDMPLQVRO-UHFFFAOYSA-N 1 2 329.762 3.941 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CCC1 ZINC000623844171 1127199594 /nfs/dbraw/zinc/19/95/94/1127199594.db2.gz JMWQNUNLKOOBGT-UHFFFAOYSA-N 1 2 340.377 3.919 20 0 EHADLO COc1ccc(-c2cc(C[NH2+][C@@H]3CCCc4scnc43)on2)cc1 ZINC000624013069 1127233125 /nfs/dbraw/zinc/23/31/25/1127233125.db2.gz RSLDXWLSVWPYKO-OAHLLOKOSA-N 1 2 341.436 3.974 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H](C[C@H]3CCOC3)C1)nc1ccccc12 ZINC000624083792 1127248116 /nfs/dbraw/zinc/24/81/16/1127248116.db2.gz CSBMIOJXAHSMDZ-HZPDHXFCSA-N 1 2 336.439 3.526 20 0 EHADLO Fc1cc(C[NH2+][C@H]2CCCn3ccnc32)c(F)cc1Br ZINC000624160657 1127261701 /nfs/dbraw/zinc/26/17/01/1127261701.db2.gz FWXBYJCZYRPZOY-ZDUSSCGKSA-N 1 2 342.187 3.549 20 0 EHADLO Cc1nnc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1C1CC1 ZINC000181248547 1127271335 /nfs/dbraw/zinc/27/13/35/1127271335.db2.gz FDZGOUJLFLSFEO-UHFFFAOYSA-N 1 2 332.398 3.759 20 0 EHADLO C[C@H](N1CC[NH+](CCCc2ccccc2Cl)CC1)C(F)(F)F ZINC000181955642 1127304752 /nfs/dbraw/zinc/30/47/52/1127304752.db2.gz SBKGGTNQUORAQG-ZDUSSCGKSA-N 1 2 334.813 3.841 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000182005964 1127307966 /nfs/dbraw/zinc/30/79/66/1127307966.db2.gz NHQMEWOQMPJJBM-DZGCQCFKSA-N 1 2 325.474 3.632 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000182005964 1127307969 /nfs/dbraw/zinc/30/79/69/1127307969.db2.gz NHQMEWOQMPJJBM-DZGCQCFKSA-N 1 2 325.474 3.632 20 0 EHADLO FC(F)(F)c1ccc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000182620293 1127339865 /nfs/dbraw/zinc/33/98/65/1127339865.db2.gz VRYUJUBRKNLGFY-INIZCTEOSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000182620293 1127339868 /nfs/dbraw/zinc/33/98/68/1127339868.db2.gz VRYUJUBRKNLGFY-INIZCTEOSA-N 1 2 329.362 3.505 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nc(CC)cc(=O)[nH]3)oc21 ZINC000182652367 1127341928 /nfs/dbraw/zinc/34/19/28/1127341928.db2.gz UUZLANDGIAKZEG-LBPRGKRZSA-N 1 2 341.411 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)c1nccn1C ZINC000182702877 1127344024 /nfs/dbraw/zinc/34/40/24/1127344024.db2.gz BLPURNRKVKGWBS-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(Sc2ccccc2)c1 ZINC000182725419 1127345667 /nfs/dbraw/zinc/34/56/67/1127345667.db2.gz SQTPJIHUIUJKKN-UHFFFAOYSA-N 1 2 337.448 3.842 20 0 EHADLO C[C@H]1C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)C1 ZINC000580770132 1127353544 /nfs/dbraw/zinc/35/35/44/1127353544.db2.gz SFSDNTSJKPVGFK-MXSMSXNCSA-N 1 2 325.456 3.873 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000183076837 1127361762 /nfs/dbraw/zinc/36/17/62/1127361762.db2.gz ZTJWLUIDLGAHRH-CMJOXMDJSA-N 1 2 346.477 3.613 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184484423 1127405940 /nfs/dbraw/zinc/40/59/40/1127405940.db2.gz SLAMPLNFJKZWGW-ZFWWWQNUSA-N 1 2 343.496 3.897 20 0 EHADLO CC(C)N(C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(C)C ZINC000184496679 1127406656 /nfs/dbraw/zinc/40/66/56/1127406656.db2.gz KMDCWKYLRFTZEW-CYBMUJFWSA-N 1 2 325.522 3.737 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000184775773 1127413289 /nfs/dbraw/zinc/41/32/89/1127413289.db2.gz ONMNOIKIJDJQFI-CRAIPNDOSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cc(F)ccc1C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185368714 1127425632 /nfs/dbraw/zinc/42/56/32/1127425632.db2.gz IUMOPAZAZSJASU-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1C ZINC000185362042 1127425877 /nfs/dbraw/zinc/42/58/77/1127425877.db2.gz HRBJPXXXHGKMQD-FZMZJTMJSA-N 1 2 334.441 3.941 20 0 EHADLO Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193498659 1127438633 /nfs/dbraw/zinc/43/86/33/1127438633.db2.gz GOOXVTGLUIDLNK-FQEVSTJZSA-N 1 2 348.450 3.968 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000193751318 1127443669 /nfs/dbraw/zinc/44/36/69/1127443669.db2.gz ISWSPUQNOVCCQO-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO Cc1cc(C)c2cc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)sc2n1 ZINC000749983852 1127534967 /nfs/dbraw/zinc/53/49/67/1127534967.db2.gz SOLNWGPGLNDPEK-UHFFFAOYSA-N 1 2 340.452 3.935 20 0 EHADLO C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383887852 1127560965 /nfs/dbraw/zinc/56/09/65/1127560965.db2.gz LEGAONSNOTTXNZ-GDBMZVCRSA-N 1 2 344.528 3.580 20 0 EHADLO C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383887852 1127560969 /nfs/dbraw/zinc/56/09/69/1127560969.db2.gz LEGAONSNOTTXNZ-GDBMZVCRSA-N 1 2 344.528 3.580 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000765316370 1127596160 /nfs/dbraw/zinc/59/61/60/1127596160.db2.gz QSZXLVNNGCQOIO-CQSZACIVSA-N 1 2 330.497 3.700 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000765320257 1127599005 /nfs/dbraw/zinc/59/90/05/1127599005.db2.gz WACLNRDTVHHRES-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000921524410 1127623342 /nfs/dbraw/zinc/62/33/42/1127623342.db2.gz MVRBVWYBBBVYOS-UHFFFAOYSA-N 1 2 346.862 3.947 20 0 EHADLO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)n1 ZINC000010895962 1127634280 /nfs/dbraw/zinc/63/42/80/1127634280.db2.gz UOLRGBFIMCEFLH-UHFFFAOYSA-N 1 2 345.406 3.926 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000011200539 1127636806 /nfs/dbraw/zinc/63/68/06/1127636806.db2.gz IOOURCYCNOUPNE-UHFFFAOYSA-N 1 2 326.440 3.889 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000011200539 1127636808 /nfs/dbraw/zinc/63/68/08/1127636808.db2.gz IOOURCYCNOUPNE-UHFFFAOYSA-N 1 2 326.440 3.889 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000015547865 1127655360 /nfs/dbraw/zinc/65/53/60/1127655360.db2.gz FFKXMJIUDUMMFF-ZDUSSCGKSA-N 1 2 348.899 3.680 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000015547865 1127655362 /nfs/dbraw/zinc/65/53/62/1127655362.db2.gz FFKXMJIUDUMMFF-ZDUSSCGKSA-N 1 2 348.899 3.680 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1nc2ccccc2[nH]1 ZINC000921528444 1127671547 /nfs/dbraw/zinc/67/15/47/1127671547.db2.gz TZPJYXPAPHTUFO-CQSZACIVSA-N 1 2 348.248 3.535 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000023992325 1127701196 /nfs/dbraw/zinc/70/11/96/1127701196.db2.gz NJFAHABIEZNZBD-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000023992325 1127701197 /nfs/dbraw/zinc/70/11/97/1127701197.db2.gz NJFAHABIEZNZBD-NSHDSACASA-N 1 2 334.769 3.861 20 0 EHADLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000024053629 1127701861 /nfs/dbraw/zinc/70/18/61/1127701861.db2.gz KGEKNMBDFPABOM-GFCCVEGCSA-N 1 2 342.830 3.861 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cc2)c1C ZINC000024813979 1127711370 /nfs/dbraw/zinc/71/13/70/1127711370.db2.gz VDGGUDZDEXANNG-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cc2)c1C ZINC000024813979 1127711372 /nfs/dbraw/zinc/71/13/72/1127711372.db2.gz VDGGUDZDEXANNG-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)nc2ccccc12 ZINC000765639384 1127717693 /nfs/dbraw/zinc/71/76/93/1127717693.db2.gz ZIUBAKHGINEPGD-HNNXBMFYSA-N 1 2 343.434 3.975 20 0 EHADLO Clc1cccc2c1CCC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000542664381 1127741674 /nfs/dbraw/zinc/74/16/74/1127741674.db2.gz IPAIISHEHIKROY-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3nccc4c3CCCC4)cc2)CC1 ZINC000921569166 1127753629 /nfs/dbraw/zinc/75/36/29/1127753629.db2.gz ZHIAXYJRBZHBHI-UHFFFAOYSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1cc(C)cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000026215896 1127770520 /nfs/dbraw/zinc/77/05/20/1127770520.db2.gz WGBKCDKUGIEBOS-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000671665625 1127785781 /nfs/dbraw/zinc/78/57/81/1127785781.db2.gz GGTAHDAXPVSTSZ-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000671665625 1127785783 /nfs/dbraw/zinc/78/57/83/1127785783.db2.gz GGTAHDAXPVSTSZ-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)nn1C ZINC000624290301 1127790967 /nfs/dbraw/zinc/79/09/67/1127790967.db2.gz ZHADFPLNVUNVPO-ABAIWWIYSA-N 1 2 342.270 3.810 20 0 EHADLO CNc1ccc(Nc2cc(F)cc(I)c2)c[nH+]1 ZINC001203457990 1127800048 /nfs/dbraw/zinc/80/00/48/1127800048.db2.gz GOZSESGBLLQQPF-UHFFFAOYSA-N 1 2 343.143 3.611 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277266 1127816838 /nfs/dbraw/zinc/81/68/38/1127816838.db2.gz BTPXLWUQNVJZBW-ZIAGYGMSSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1)c1cc2ccccc2o1 ZINC000030277266 1127816843 /nfs/dbraw/zinc/81/68/43/1127816843.db2.gz BTPXLWUQNVJZBW-ZIAGYGMSSA-N 1 2 326.396 3.724 20 0 EHADLO Fc1ccc(-c2ccc(C[NH2+]Cc3nncn3-c3ccccc3)o2)cc1 ZINC000030908173 1127826069 /nfs/dbraw/zinc/82/60/69/1127826069.db2.gz FMDVAGQPLSNPNH-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccoc1 ZINC000031893081 1127842759 /nfs/dbraw/zinc/84/27/59/1127842759.db2.gz USJFSPXFALAFFC-OAHLLOKOSA-N 1 2 336.794 3.639 20 0 EHADLO CNc1ccc(Nc2cccc(I)c2C)c[nH+]1 ZINC001203458522 1127851409 /nfs/dbraw/zinc/85/14/09/1127851409.db2.gz NNPIMEOPYVZMPG-UHFFFAOYSA-N 1 2 339.180 3.780 20 0 EHADLO CC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000032761903 1127857753 /nfs/dbraw/zinc/85/77/53/1127857753.db2.gz BPMDUXMMSWNFDJ-CYBMUJFWSA-N 1 2 348.493 3.579 20 0 EHADLO Cc1ccsc1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042723825 1127898500 /nfs/dbraw/zinc/89/85/00/1127898500.db2.gz OUMWBBXGDLSRJU-UHFFFAOYSA-N 1 2 345.493 3.562 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC001626054383 1127906502 /nfs/dbraw/zinc/90/65/02/1127906502.db2.gz WAGPTQFIUHFOII-GOSISDBHSA-N 1 2 343.789 3.651 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000042880322 1127907772 /nfs/dbraw/zinc/90/77/72/1127907772.db2.gz SWDAUPMVORTUNW-UHFFFAOYSA-N 1 2 326.425 3.842 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CC2)cs1 ZINC000338626062 1127929508 /nfs/dbraw/zinc/92/95/08/1127929508.db2.gz LYWDGBLIIFUUCH-CABCVRRESA-N 1 2 326.469 3.574 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CC2)cs1 ZINC000338626062 1127929510 /nfs/dbraw/zinc/92/95/10/1127929510.db2.gz LYWDGBLIIFUUCH-CABCVRRESA-N 1 2 326.469 3.574 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741557 1127941062 /nfs/dbraw/zinc/94/10/62/1127941062.db2.gz KTGYMQCWCCLAEM-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741557 1127941066 /nfs/dbraw/zinc/94/10/66/1127941066.db2.gz KTGYMQCWCCLAEM-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045756335 1127959487 /nfs/dbraw/zinc/95/94/87/1127959487.db2.gz NAJYZHDFQDDCKG-UHFFFAOYSA-N 1 2 335.407 3.971 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc(C(F)(F)F)c1 ZINC001212360362 1127980408 /nfs/dbraw/zinc/98/04/08/1127980408.db2.gz SYTCRHZNOSACKL-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000047247841 1128004040 /nfs/dbraw/zinc/00/40/40/1128004040.db2.gz ZBWXVQXNDWGHKC-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)on2)cc1 ZINC000671703057 1128017381 /nfs/dbraw/zinc/01/73/81/1128017381.db2.gz OEZMRSGRLUVXNH-IBGZPJMESA-N 1 2 338.411 3.801 20 0 EHADLO COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)on2)cc1 ZINC000671703057 1128017384 /nfs/dbraw/zinc/01/73/84/1128017384.db2.gz OEZMRSGRLUVXNH-IBGZPJMESA-N 1 2 338.411 3.801 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)on2)cc1 ZINC000671703058 1128017459 /nfs/dbraw/zinc/01/74/59/1128017459.db2.gz OEZMRSGRLUVXNH-LJQANCHMSA-N 1 2 338.411 3.801 20 0 EHADLO COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)on2)cc1 ZINC000671703058 1128017462 /nfs/dbraw/zinc/01/74/62/1128017462.db2.gz OEZMRSGRLUVXNH-LJQANCHMSA-N 1 2 338.411 3.801 20 0 EHADLO COc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1C(C)C ZINC001212364919 1128030746 /nfs/dbraw/zinc/03/07/46/1128030746.db2.gz ZXHYKXSORFVOOS-UHFFFAOYSA-N 1 2 327.428 3.794 20 0 EHADLO Clc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c2ncccc12 ZINC001212366493 1128041544 /nfs/dbraw/zinc/04/15/44/1128041544.db2.gz PWFSGNRQSGWIKH-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057373019 1128045674 /nfs/dbraw/zinc/04/56/74/1128045674.db2.gz TWHLJEKEFVLSMI-HNNXBMFYSA-N 1 2 340.427 3.778 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000347538159 1128055859 /nfs/dbraw/zinc/05/58/59/1128055859.db2.gz KPTVWHMQMBSDDQ-OAHLLOKOSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000347538159 1128055863 /nfs/dbraw/zinc/05/58/63/1128055863.db2.gz KPTVWHMQMBSDDQ-OAHLLOKOSA-N 1 2 327.384 3.921 20 0 EHADLO Cc1ncccc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000347546608 1128069036 /nfs/dbraw/zinc/06/90/36/1128069036.db2.gz MJNDBOWDESRRMO-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ncccc1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000347546608 1128069039 /nfs/dbraw/zinc/06/90/39/1128069039.db2.gz MJNDBOWDESRRMO-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CCCCc1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000107898095 1128087759 /nfs/dbraw/zinc/08/77/59/1128087759.db2.gz JHIQWNUVYBILJZ-UHFFFAOYSA-N 1 2 349.862 3.861 20 0 EHADLO Cc1ccccc1OCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000060013896 1128091967 /nfs/dbraw/zinc/09/19/67/1128091967.db2.gz CQUDASMHUCQRBV-UHFFFAOYSA-N 1 2 349.434 3.656 20 0 EHADLO COc1cccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000060463864 1128102445 /nfs/dbraw/zinc/10/24/45/1128102445.db2.gz ZQJWFYLIFGPEOV-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCC(F)(F)F)cc1 ZINC000064635243 1128172078 /nfs/dbraw/zinc/17/20/78/1128172078.db2.gz NKHWFNKXUXQCJT-CQSZACIVSA-N 1 2 344.421 3.947 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000064635243 1128172080 /nfs/dbraw/zinc/17/20/80/1128172080.db2.gz NKHWFNKXUXQCJT-CQSZACIVSA-N 1 2 344.421 3.947 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(Br)ccc1F ZINC000065533899 1128193140 /nfs/dbraw/zinc/19/31/40/1128193140.db2.gz NWCFRYXQLDDDKJ-UHFFFAOYSA-N 1 2 342.208 3.830 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(Br)ccc1F ZINC000065533899 1128193141 /nfs/dbraw/zinc/19/31/41/1128193141.db2.gz NWCFRYXQLDDDKJ-UHFFFAOYSA-N 1 2 342.208 3.830 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000065607504 1128195909 /nfs/dbraw/zinc/19/59/09/1128195909.db2.gz CSFMVQPXMHGGDE-UHFFFAOYSA-N 1 2 328.456 3.767 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000065607504 1128195910 /nfs/dbraw/zinc/19/59/10/1128195910.db2.gz CSFMVQPXMHGGDE-UHFFFAOYSA-N 1 2 328.456 3.767 20 0 EHADLO Cc1cc(F)ccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067658005 1128246130 /nfs/dbraw/zinc/24/61/30/1128246130.db2.gz WJYZALBYFAUVFM-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000654893814 1128233196 /nfs/dbraw/zinc/23/31/96/1128233196.db2.gz VBHAXDSGTLVURP-KBXCAEBGSA-N 1 2 347.409 3.594 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072771286 1128305671 /nfs/dbraw/zinc/30/56/71/1128305671.db2.gz VTJMTMMTVUEZSW-SRVKXCTJSA-N 1 2 342.892 3.501 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000073171639 1128318054 /nfs/dbraw/zinc/31/80/54/1128318054.db2.gz KCOUEMCCQLUIGB-KRWDZBQOSA-N 1 2 333.435 3.741 20 0 EHADLO Cc1ccc2sc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000356056755 1128349431 /nfs/dbraw/zinc/34/94/31/1128349431.db2.gz LAFNATCAAGAYIF-AWEZNQCLSA-N 1 2 339.464 3.963 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000186234564 1128354337 /nfs/dbraw/zinc/35/43/37/1128354337.db2.gz DMRBKGAUAYIBGE-GXSJLCMTSA-N 1 2 332.213 3.514 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([NH2+]CC(F)(F)c3ccccn3)CCO2)cc1 ZINC001168611731 1128376243 /nfs/dbraw/zinc/37/62/43/1128376243.db2.gz XEKBIWLIDDBFQP-WBVHZDCISA-N 1 2 348.393 3.692 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 ZINC000444820010 1128405793 /nfs/dbraw/zinc/40/57/93/1128405793.db2.gz TYEVVOFYRKQEEH-CYBMUJFWSA-N 1 2 328.441 3.516 20 0 EHADLO Fc1ccc(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1Cl ZINC000624687821 1128432395 /nfs/dbraw/zinc/43/23/95/1128432395.db2.gz GWIUUCHKKMDLDT-UHFFFAOYSA-N 1 2 346.793 3.577 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCOC4(CCC4)C3)cc2)[nH+]c1C ZINC000921668143 1128447799 /nfs/dbraw/zinc/44/77/99/1128447799.db2.gz OPMXERPEKAPMAA-INIZCTEOSA-N 1 2 339.439 3.981 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2coc(C3CC3)n2)no1)c1ccc(Cl)cc1 ZINC000624717106 1128487866 /nfs/dbraw/zinc/48/78/66/1128487866.db2.gz VHFYAKJDBKELTR-CQSZACIVSA-N 1 2 344.802 3.906 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccc(Cl)cc1 ZINC000347637954 1128502647 /nfs/dbraw/zinc/50/26/47/1128502647.db2.gz JELXXIMQUFHSTR-CQSZACIVSA-N 1 2 334.778 3.834 20 0 EHADLO Cc1ccccc1-n1cc(C[NH+]2CCC(OCCC(C)C)CC2)nn1 ZINC000347636094 1128498454 /nfs/dbraw/zinc/49/84/54/1128498454.db2.gz IIAUPYXTSMLMOP-UHFFFAOYSA-N 1 2 342.487 3.603 20 0 EHADLO COc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(C)c1OC ZINC000347641457 1128504034 /nfs/dbraw/zinc/50/40/34/1128504034.db2.gz RXPBQSOCIJRIGV-LJQANCHMSA-N 1 2 340.467 3.501 20 0 EHADLO COc1ccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(C)c1OC ZINC000347641457 1128504037 /nfs/dbraw/zinc/50/40/37/1128504037.db2.gz RXPBQSOCIJRIGV-LJQANCHMSA-N 1 2 340.467 3.501 20 0 EHADLO CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)c3ncc[nH]3)ccn2)cc1 ZINC000353442867 1128565996 /nfs/dbraw/zinc/56/59/96/1128565996.db2.gz RTVYPQKXXXPAAZ-AWEZNQCLSA-N 1 2 338.411 3.847 20 0 EHADLO c1cn(-c2ccc(CNc3ncc(Cc4ccccc4)s3)cc2)c[nH+]1 ZINC000542754823 1128575522 /nfs/dbraw/zinc/57/55/22/1128575522.db2.gz FKXYYHFDCVZTFT-UHFFFAOYSA-N 1 2 346.459 3.954 20 0 EHADLO Fc1ccc(Cc2cnc(NCc3cccc4[nH+]ccn43)s2)cc1 ZINC000542763034 1128587271 /nfs/dbraw/zinc/58/72/71/1128587271.db2.gz PVTOZYFHLBHPKP-UHFFFAOYSA-N 1 2 338.411 3.555 20 0 EHADLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000057376187 1128634171 /nfs/dbraw/zinc/63/41/71/1128634171.db2.gz JZFFMIKFMRVMLY-MRXNPFEDSA-N 1 2 334.851 3.767 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000057378315 1128634873 /nfs/dbraw/zinc/63/48/73/1128634873.db2.gz WUYURAVBROEAST-INIZCTEOSA-N 1 2 336.439 3.877 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)c(OC)c1 ZINC000108851231 1128668608 /nfs/dbraw/zinc/66/86/08/1128668608.db2.gz HFQLQWOFVXROFQ-GOSISDBHSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2noc3c2CCCC3)c(OC)c1 ZINC000108851231 1128668610 /nfs/dbraw/zinc/66/86/10/1128668610.db2.gz HFQLQWOFVXROFQ-GOSISDBHSA-N 1 2 342.439 3.908 20 0 EHADLO C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000057850075 1128715718 /nfs/dbraw/zinc/71/57/18/1128715718.db2.gz KAHCJFZNGXPXEZ-UHFFFAOYSA-N 1 2 345.508 3.890 20 0 EHADLO C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000057850075 1128715722 /nfs/dbraw/zinc/71/57/22/1128715722.db2.gz KAHCJFZNGXPXEZ-UHFFFAOYSA-N 1 2 345.508 3.890 20 0 EHADLO O=C1[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CCN1C1CCC1 ZINC000624781311 1128742744 /nfs/dbraw/zinc/74/27/44/1128742744.db2.gz HBYBRTSWTZIEEA-HNNXBMFYSA-N 1 2 333.794 3.593 20 0 EHADLO COc1cc(CNc2[nH+]cccc2-n2cccc2)cc(OC)c1OC ZINC001168669856 1128759893 /nfs/dbraw/zinc/75/98/93/1128759893.db2.gz QRJPTWKTSXBWPX-UHFFFAOYSA-N 1 2 339.395 3.510 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1CCCCCC1)c1ccccc1 ZINC000073434387 1128767184 /nfs/dbraw/zinc/76/71/84/1128767184.db2.gz MTAHKIADZHHMHV-GOSISDBHSA-N 1 2 340.471 3.726 20 0 EHADLO O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338742070 1128813614 /nfs/dbraw/zinc/81/36/14/1128813614.db2.gz HIPKMMMOZBPTTI-HOTGVXAUSA-N 1 2 329.831 3.573 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000074869109 1128829362 /nfs/dbraw/zinc/82/93/62/1128829362.db2.gz ZGLYHRNLFTZUBD-RYRKJORJSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC000542915353 1128837947 /nfs/dbraw/zinc/83/79/47/1128837947.db2.gz RUFRCNWIEGYZIT-UHFFFAOYSA-N 1 2 343.393 3.877 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000156518658 1128858055 /nfs/dbraw/zinc/85/80/55/1128858055.db2.gz ZVVOQGLEEUHXDP-JTQLQIEISA-N 1 2 334.279 3.520 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000156518658 1128858060 /nfs/dbraw/zinc/85/80/60/1128858060.db2.gz ZVVOQGLEEUHXDP-JTQLQIEISA-N 1 2 334.279 3.520 20 0 EHADLO CC(C)CCCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000075530144 1128865181 /nfs/dbraw/zinc/86/51/81/1128865181.db2.gz DGQCPJIJLZBKTD-UHFFFAOYSA-N 1 2 332.492 3.520 20 0 EHADLO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933487 1128868394 /nfs/dbraw/zinc/86/83/94/1128868394.db2.gz OETADKNZVXNMOU-IAQYHMDHSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@H](C)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000542933487 1128868400 /nfs/dbraw/zinc/86/84/00/1128868400.db2.gz OETADKNZVXNMOU-IAQYHMDHSA-N 1 2 345.270 3.821 20 0 EHADLO C=CCOc1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000148330998 1120170104 /nfs/dbraw/zinc/17/01/04/1120170104.db2.gz CIXMWBPUEYRNMJ-LJQANCHMSA-N 1 2 339.435 3.531 20 0 EHADLO C=CCOc1ccccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000148330998 1120170106 /nfs/dbraw/zinc/17/01/06/1120170106.db2.gz CIXMWBPUEYRNMJ-LJQANCHMSA-N 1 2 339.435 3.531 20 0 EHADLO Cc1ccc(C)c(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000227827180 1120185171 /nfs/dbraw/zinc/18/51/71/1120185171.db2.gz KIBIPEWOLDWRQQ-UHFFFAOYSA-N 1 2 328.403 3.553 20 0 EHADLO C[N@H+](Cc1nc(C(C)(C)C)co1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000895306048 1120281612 /nfs/dbraw/zinc/28/16/12/1120281612.db2.gz DFQNJJQFMXYPPU-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO C[N@@H+](Cc1nc(C(C)(C)C)co1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000895306048 1120281617 /nfs/dbraw/zinc/28/16/17/1120281617.db2.gz DFQNJJQFMXYPPU-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)CC(C)C)CC2)c1 ZINC000184526818 1120379200 /nfs/dbraw/zinc/37/92/00/1120379200.db2.gz CYXRXWORETXJTK-SJORKVTESA-N 1 2 332.488 3.583 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ncoc1-c1ccc(F)cc1 ZINC000185243093 1120405274 /nfs/dbraw/zinc/40/52/74/1120405274.db2.gz IFVAHPYTSAGHLZ-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1OC(F)F ZINC000186539742 1120465637 /nfs/dbraw/zinc/46/56/37/1120465637.db2.gz XLHIGVCKRWSZPW-GWCFXTLKSA-N 1 2 329.318 3.794 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(Cl)c1 ZINC000189036966 1120527478 /nfs/dbraw/zinc/52/74/78/1120527478.db2.gz MDNMYZCLQHATDC-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000494296893 1120528793 /nfs/dbraw/zinc/52/87/93/1120528793.db2.gz ZBTIGWITSTXXEX-KRWDZBQOSA-N 1 2 343.496 3.549 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000494470493 1120567499 /nfs/dbraw/zinc/56/74/99/1120567499.db2.gz VNPSVQMNNQQLOK-UHFFFAOYSA-N 1 2 339.748 3.934 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)c1nccn1C ZINC000494498339 1120573068 /nfs/dbraw/zinc/57/30/68/1120573068.db2.gz VHHYUOUKEKUWMT-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)c1cnccn1 ZINC000494529747 1120584501 /nfs/dbraw/zinc/58/45/01/1120584501.db2.gz OIWGAUCOMGIVDN-ZANVPECISA-N 1 2 336.258 3.737 20 0 EHADLO CCOCCOCC[N@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000190266918 1120631448 /nfs/dbraw/zinc/63/14/48/1120631448.db2.gz APWZUEMAJRGMNO-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO CCOCCOCC[N@@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000190266918 1120631450 /nfs/dbraw/zinc/63/14/50/1120631450.db2.gz APWZUEMAJRGMNO-UHFFFAOYSA-N 1 2 326.506 3.676 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(Cc2ccccc2F)CC1 ZINC000190711504 1120647986 /nfs/dbraw/zinc/64/79/86/1120647986.db2.gz FDNCDNCOGFPQOI-UHFFFAOYSA-N 1 2 335.382 3.973 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccoc3Cl)CC2)s1 ZINC000192392639 1120733544 /nfs/dbraw/zinc/73/35/44/1120733544.db2.gz KJJOBVQADBEKBU-UHFFFAOYSA-N 1 2 338.860 3.515 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000192687784 1120742866 /nfs/dbraw/zinc/74/28/66/1120742866.db2.gz SWDBIRCFKCPERF-SBJJXXPASA-N 1 2 349.356 3.686 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC2CCCC2)c1C ZINC000195140605 1120767711 /nfs/dbraw/zinc/76/77/11/1120767711.db2.gz KMJQFTATSIJGOB-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO O=C(Cc1ccc(Cl)s1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000193600686 1120787469 /nfs/dbraw/zinc/78/74/69/1120787469.db2.gz JRQWUAYYKOVUAR-UHFFFAOYSA-N 1 2 345.855 3.505 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000193753484 1120795947 /nfs/dbraw/zinc/79/59/47/1120795947.db2.gz RUGUMXLEYIPXFU-SFHVURJKSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1ccc(-c2noc(CCC[N@@H+](C)Cc3cscn3)n2)cc1F ZINC000194417031 1120842388 /nfs/dbraw/zinc/84/23/88/1120842388.db2.gz XLGKIJHTJOFKOF-UHFFFAOYSA-N 1 2 346.431 3.705 20 0 EHADLO Cc1ccc(-c2noc(CCC[N@H+](C)Cc3cscn3)n2)cc1F ZINC000194417031 1120842390 /nfs/dbraw/zinc/84/23/90/1120842390.db2.gz XLGKIJHTJOFKOF-UHFFFAOYSA-N 1 2 346.431 3.705 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCSC1 ZINC000494962590 1120913413 /nfs/dbraw/zinc/91/34/13/1120913413.db2.gz VNLJOCIRLAVKME-IINYFYTJSA-N 1 2 348.295 3.892 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCSC1 ZINC000494962590 1120913418 /nfs/dbraw/zinc/91/34/18/1120913418.db2.gz VNLJOCIRLAVKME-IINYFYTJSA-N 1 2 348.295 3.892 20 0 EHADLO CCCCn1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000495095938 1120951825 /nfs/dbraw/zinc/95/18/25/1120951825.db2.gz YTTLFEQEKMNHHZ-KRWDZBQOSA-N 1 2 330.480 3.521 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2ccc(Br)s2)s1 ZINC000637868863 1121005352 /nfs/dbraw/zinc/00/53/52/1121005352.db2.gz PRRXMOXYKGEKBC-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2ccc(Br)s2)s1 ZINC000637868863 1121005357 /nfs/dbraw/zinc/00/53/57/1121005357.db2.gz PRRXMOXYKGEKBC-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000350071016 1121020983 /nfs/dbraw/zinc/02/09/83/1121020983.db2.gz GDVGUSHATCCORL-UHFFFAOYSA-N 1 2 342.439 3.796 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001168483931 1121027905 /nfs/dbraw/zinc/02/79/05/1121027905.db2.gz CSAJWMHJJAHRHW-ORYQWCPZSA-N 1 2 339.458 3.501 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001168483931 1121027913 /nfs/dbraw/zinc/02/79/13/1121027913.db2.gz CSAJWMHJJAHRHW-ORYQWCPZSA-N 1 2 339.458 3.501 20 0 EHADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000356214034 1128957719 /nfs/dbraw/zinc/95/77/19/1128957719.db2.gz XDXDNQIOBCNVGU-ROUUACIJSA-N 1 2 347.503 3.709 20 0 EHADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000356214034 1128957723 /nfs/dbraw/zinc/95/77/23/1128957723.db2.gz XDXDNQIOBCNVGU-ROUUACIJSA-N 1 2 347.503 3.709 20 0 EHADLO Cc1ccc(C)c(C[N@H+](C)Cn2c(=O)scc2C(F)(F)F)c1 ZINC000762049292 1121066973 /nfs/dbraw/zinc/06/69/73/1121066973.db2.gz ANZQDJSEGVUVCG-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO Cc1ccc(C)c(C[N@@H+](C)Cn2c(=O)scc2C(F)(F)F)c1 ZINC000762049292 1121066980 /nfs/dbraw/zinc/06/69/80/1121066980.db2.gz ANZQDJSEGVUVCG-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cccc(Oc3ccccn3)c2)[nH]1 ZINC000921947446 1128961515 /nfs/dbraw/zinc/96/15/15/1128961515.db2.gz VDNBPSWYSFRFQK-AWEZNQCLSA-N 1 2 337.427 3.966 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@H]2C)nc1-c1ccncc1 ZINC000762138772 1121126031 /nfs/dbraw/zinc/12/60/31/1121126031.db2.gz MNXWPEQIGVUYAI-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@H]2C)nc1-c1ccncc1 ZINC000762138772 1121126033 /nfs/dbraw/zinc/12/60/33/1121126033.db2.gz MNXWPEQIGVUYAI-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccc2c(c1)CCC2 ZINC000495422109 1121184883 /nfs/dbraw/zinc/18/48/83/1121184883.db2.gz YIPJVEKMLNXLQJ-UHFFFAOYSA-N 1 2 326.465 3.840 20 0 EHADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccc2c(c1)CCC2 ZINC000495422109 1121184886 /nfs/dbraw/zinc/18/48/86/1121184886.db2.gz YIPJVEKMLNXLQJ-UHFFFAOYSA-N 1 2 326.465 3.840 20 0 EHADLO CN(C)c1nc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000157119712 1128973985 /nfs/dbraw/zinc/97/39/85/1128973985.db2.gz GJBNHEHGUOVVDE-HNNXBMFYSA-N 1 2 329.469 3.745 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C[C@H]2C)CC1 ZINC001128221489 1128974896 /nfs/dbraw/zinc/97/48/96/1128974896.db2.gz MBRSLGVBVMLHCE-TWPTVVAISA-N 1 2 332.513 3.636 20 0 EHADLO Cc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)c(N(C)C)[nH+]1 ZINC001127365238 1121401961 /nfs/dbraw/zinc/40/19/61/1121401961.db2.gz HYZWEDIWBSMXIP-UHFFFAOYSA-N 1 2 332.407 3.770 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)CCC2 ZINC000921982702 1128996861 /nfs/dbraw/zinc/99/68/61/1128996861.db2.gz KBTHNGQIBGAWMV-AWEZNQCLSA-N 1 2 333.867 3.885 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001168499175 1121631895 /nfs/dbraw/zinc/63/18/95/1121631895.db2.gz XEYHSZBAZHXAOI-JXFKEZNVSA-N 1 2 329.415 3.537 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001168499175 1121631899 /nfs/dbraw/zinc/63/18/99/1121631899.db2.gz XEYHSZBAZHXAOI-JXFKEZNVSA-N 1 2 329.415 3.537 20 0 EHADLO CCC[N@@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S ZINC000915808367 1121634711 /nfs/dbraw/zinc/63/47/11/1121634711.db2.gz GCSAFXTZMFAEMW-UHFFFAOYSA-N 1 2 339.468 3.668 20 0 EHADLO CCC[N@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S ZINC000915808367 1121634713 /nfs/dbraw/zinc/63/47/13/1121634713.db2.gz GCSAFXTZMFAEMW-UHFFFAOYSA-N 1 2 339.468 3.668 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(Cl)c(Cl)c1 ZINC000041595470 1121702941 /nfs/dbraw/zinc/70/29/41/1121702941.db2.gz JCAMTZRHGWALLX-UHFFFAOYSA-N 1 2 327.215 3.792 20 0 EHADLO O=C(Cc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224935 1121750609 /nfs/dbraw/zinc/75/06/09/1121750609.db2.gz BLUQJADUUUUKCK-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO CC[C@H](C)Oc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccn1 ZINC000347449466 1121769588 /nfs/dbraw/zinc/76/95/88/1121769588.db2.gz NOGCHSNTGNPIRA-AWEZNQCLSA-N 1 2 336.395 3.697 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cs1 ZINC000054670147 1121773023 /nfs/dbraw/zinc/77/30/23/1121773023.db2.gz QHXHROADXRBQCQ-QGZVFWFLSA-N 1 2 329.469 3.853 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2c2ccccc2)cs1 ZINC000054670147 1121773028 /nfs/dbraw/zinc/77/30/28/1121773028.db2.gz QHXHROADXRBQCQ-QGZVFWFLSA-N 1 2 329.469 3.853 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001143095924 1129012068 /nfs/dbraw/zinc/01/20/68/1129012068.db2.gz XGSZVALQZGWSOW-UHFFFAOYSA-N 1 2 328.213 3.841 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001143095924 1129012071 /nfs/dbraw/zinc/01/20/71/1129012071.db2.gz XGSZVALQZGWSOW-UHFFFAOYSA-N 1 2 328.213 3.841 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000253436078 1121912357 /nfs/dbraw/zinc/91/23/57/1121912357.db2.gz LNFNNLMGPYVFHJ-UFUQCMIWSA-N 1 2 349.478 3.788 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1ncn(C2CC2)c1=S ZINC000763239090 1121916704 /nfs/dbraw/zinc/91/67/04/1121916704.db2.gz FKUUYLDOTCODJT-KRWDZBQOSA-N 1 2 328.485 3.962 20 0 EHADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1ncn(C2CC2)c1=S ZINC000763239090 1121916707 /nfs/dbraw/zinc/91/67/07/1121916707.db2.gz FKUUYLDOTCODJT-KRWDZBQOSA-N 1 2 328.485 3.962 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000763286725 1121942782 /nfs/dbraw/zinc/94/27/82/1121942782.db2.gz CITUACYTXRKCSK-UHFFFAOYSA-N 1 2 347.374 3.938 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccccc1COc1ccccc1 ZINC000763289060 1121943940 /nfs/dbraw/zinc/94/39/40/1121943940.db2.gz YBVHGWKMSDUNCB-UHFFFAOYSA-N 1 2 336.391 3.709 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccc(OC)c(Cl)c2)cc1 ZINC000763347342 1121971792 /nfs/dbraw/zinc/97/17/92/1121971792.db2.gz ZCCNZFKTTYKOCK-UHFFFAOYSA-N 1 2 334.803 3.598 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000444199907 1121982290 /nfs/dbraw/zinc/98/22/90/1121982290.db2.gz RKTMFUXADLEKMZ-GOSISDBHSA-N 1 2 348.450 3.663 20 0 EHADLO CCCC[C@H](CC)CNC(=S)NC1CCN(c2cccc[nH+]2)CC1 ZINC000916001734 1122017349 /nfs/dbraw/zinc/01/73/49/1122017349.db2.gz GBZDPNTVWBZNAT-INIZCTEOSA-N 1 2 348.560 3.731 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2c1CCCC2 ZINC000916466560 1122162653 /nfs/dbraw/zinc/16/26/53/1122162653.db2.gz ULRVHLOMPQUOSO-GOSISDBHSA-N 1 2 340.471 3.998 20 0 EHADLO Cc1nc2cc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2o1 ZINC000916469119 1122166582 /nfs/dbraw/zinc/16/65/82/1122166582.db2.gz HSCBLFKNXYXYRM-INIZCTEOSA-N 1 2 341.415 3.569 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001128290758 1129039001 /nfs/dbraw/zinc/03/90/01/1129039001.db2.gz HFFRPQBODHWFPN-CYBMUJFWSA-N 1 2 325.437 3.856 20 0 EHADLO Cc1nc(C2([NH2+]Cc3ccc4c(c3)COC4)CCCCCC2)no1 ZINC000763410249 1122232298 /nfs/dbraw/zinc/23/22/98/1122232298.db2.gz WBEAFWPIBICJTF-UHFFFAOYSA-N 1 2 327.428 3.748 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123538903 1122256384 /nfs/dbraw/zinc/25/63/84/1122256384.db2.gz AIAPEAMVEUKRRG-PKOBYXMFSA-N 1 2 339.483 3.969 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1N[C@@H]1CCOC2(CCC2)C1 ZINC000497151208 1122348762 /nfs/dbraw/zinc/34/87/62/1122348762.db2.gz PPRIFRQRTSGBBG-OAHLLOKOSA-N 1 2 347.459 3.620 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@@H]3CCCCO3)n2)cc1 ZINC000126105223 1122385960 /nfs/dbraw/zinc/38/59/60/1122385960.db2.gz ZXPWUXCYMBXGMH-KRWDZBQOSA-N 1 2 329.444 3.861 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@@H]3CCCCO3)n2)cc1 ZINC000126105223 1122385967 /nfs/dbraw/zinc/38/59/67/1122385967.db2.gz ZXPWUXCYMBXGMH-KRWDZBQOSA-N 1 2 329.444 3.861 20 0 EHADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000066940093 1122491645 /nfs/dbraw/zinc/49/16/45/1122491645.db2.gz XQTTVJCQSVNYKS-ZUZCIYMTSA-N 1 2 340.320 3.722 20 0 EHADLO Cc1cc(Br)ccc1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000497357014 1122501296 /nfs/dbraw/zinc/50/12/96/1122501296.db2.gz DFOHFQPDGVKNCS-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127755134 1122506047 /nfs/dbraw/zinc/50/60/47/1122506047.db2.gz LWONDSKHYKXMEE-RTBURBONSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127755134 1122506049 /nfs/dbraw/zinc/50/60/49/1122506049.db2.gz LWONDSKHYKXMEE-RTBURBONSA-N 1 2 344.405 3.702 20 0 EHADLO C/C=C\c1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000497370202 1122513153 /nfs/dbraw/zinc/51/31/53/1122513153.db2.gz NDLRYHXMUAKWLO-MAVJXHJTSA-N 1 2 338.455 3.940 20 0 EHADLO C/C=C/c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000497424580 1122547816 /nfs/dbraw/zinc/54/78/16/1122547816.db2.gz CRNGUQJOMGCWEG-GORDUTHDSA-N 1 2 336.439 3.905 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000917454197 1122611161 /nfs/dbraw/zinc/61/11/61/1122611161.db2.gz JGFZSMLOQSIOAQ-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000917454197 1122611164 /nfs/dbraw/zinc/61/11/64/1122611164.db2.gz JGFZSMLOQSIOAQ-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO C[N@@H+](Cc1cccc2ccccc21)CN1C(=O)c2ccccc2C1=O ZINC000917470010 1122615628 /nfs/dbraw/zinc/61/56/28/1122615628.db2.gz IYOLPHICIGNBBR-UHFFFAOYSA-N 1 2 330.387 3.525 20 0 EHADLO C[N@H+](Cc1cccc2ccccc21)CN1C(=O)c2ccccc2C1=O ZINC000917470010 1122615630 /nfs/dbraw/zinc/61/56/30/1122615630.db2.gz IYOLPHICIGNBBR-UHFFFAOYSA-N 1 2 330.387 3.525 20 0 EHADLO Cn1nc2c(c1CNc1cccc(-c3[nH+]cc4n3CCCC4)c1)CCC2 ZINC000922063882 1129070222 /nfs/dbraw/zinc/07/02/22/1129070222.db2.gz FIKJPHOUJJBEGB-UHFFFAOYSA-N 1 2 347.466 3.721 20 0 EHADLO CC(C)c1nnc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000170692070 1122729832 /nfs/dbraw/zinc/72/98/32/1122729832.db2.gz SVBOYJMWKXEZEA-AWEZNQCLSA-N 1 2 348.878 3.725 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000922072488 1129074222 /nfs/dbraw/zinc/07/42/22/1129074222.db2.gz KLWBHKCIUBIYMC-SECBINFHSA-N 1 2 330.379 3.934 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C(C)C)cc1 ZINC000069067555 1122749934 /nfs/dbraw/zinc/74/99/34/1122749934.db2.gz VEDCGETXTCEIBF-YWZLYKJASA-N 1 2 344.455 3.795 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C(C)C)cc1 ZINC000069067555 1122749937 /nfs/dbraw/zinc/74/99/37/1122749937.db2.gz VEDCGETXTCEIBF-YWZLYKJASA-N 1 2 344.455 3.795 20 0 EHADLO COc1ccc(-c2cnc(CCC(=O)Nc3cc[nH+]c(C)c3)o2)cc1 ZINC000069230465 1122758946 /nfs/dbraw/zinc/75/89/46/1122758946.db2.gz MTTBKEPVHKNJRS-UHFFFAOYSA-N 1 2 337.379 3.625 20 0 EHADLO c1csc([C@H]([NH2+]CCc2ccc3ccccc3c2)c2nnc[nH]2)c1 ZINC000556064769 1122800712 /nfs/dbraw/zinc/80/07/12/1122800712.db2.gz DBWDYXVUUXTXLQ-SFHVURJKSA-N 1 2 334.448 3.941 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000556086765 1122805391 /nfs/dbraw/zinc/80/53/91/1122805391.db2.gz GWFMBWDGJCEZPD-ZDUSSCGKSA-N 1 2 325.412 3.992 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000556086765 1122805401 /nfs/dbraw/zinc/80/54/01/1122805401.db2.gz GWFMBWDGJCEZPD-ZDUSSCGKSA-N 1 2 325.412 3.992 20 0 EHADLO C[N@H+](C[C@@H]1CCCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000918731575 1122899913 /nfs/dbraw/zinc/89/99/13/1122899913.db2.gz DUWAUWBCJLTPLR-KRWDZBQOSA-N 1 2 331.485 3.526 20 0 EHADLO C[N@@H+](C[C@@H]1CCCCO1)Cn1ccn(Cc2ccccc2)c1=S ZINC000918731575 1122899919 /nfs/dbraw/zinc/89/99/19/1122899919.db2.gz DUWAUWBCJLTPLR-KRWDZBQOSA-N 1 2 331.485 3.526 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)s2)c2cnn[nH]2)cc1 ZINC000556262639 1122905383 /nfs/dbraw/zinc/90/53/83/1122905383.db2.gz CBSGQCXSBWUHID-OAHLLOKOSA-N 1 2 336.823 3.580 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)s2)c2cn[nH]n2)cc1 ZINC000556262639 1122905387 /nfs/dbraw/zinc/90/53/87/1122905387.db2.gz CBSGQCXSBWUHID-OAHLLOKOSA-N 1 2 336.823 3.580 20 0 EHADLO C[C@@H]1COCC[N@@H+]1CCSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000556325055 1122929354 /nfs/dbraw/zinc/92/93/54/1122929354.db2.gz LDOXMVZEZDSEOW-GFCCVEGCSA-N 1 2 338.860 3.808 20 0 EHADLO C[C@@H]1COCC[N@H+]1CCSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000556325055 1122929358 /nfs/dbraw/zinc/92/93/58/1122929358.db2.gz LDOXMVZEZDSEOW-GFCCVEGCSA-N 1 2 338.860 3.808 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000445009080 1122954813 /nfs/dbraw/zinc/95/48/13/1122954813.db2.gz CEHDFFJRJUPZOD-IXDOHACOSA-N 1 2 332.492 3.524 20 0 EHADLO O=C(Cn1c[nH+]c(Cc2ccccc2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000919137584 1122981210 /nfs/dbraw/zinc/98/12/10/1122981210.db2.gz UODRZPKOYIDDPQ-JOCHJYFZSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000498627955 1122997391 /nfs/dbraw/zinc/99/73/91/1122997391.db2.gz TZSQUMRPHMWQNP-KRWDZBQOSA-N 1 2 333.435 3.773 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000556565429 1123038670 /nfs/dbraw/zinc/03/86/70/1123038670.db2.gz CINXVWQRWIUJJZ-OWCLPIDISA-N 1 2 348.437 3.648 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000556565429 1123038675 /nfs/dbraw/zinc/03/86/75/1123038675.db2.gz CINXVWQRWIUJJZ-OWCLPIDISA-N 1 2 348.437 3.648 20 0 EHADLO CSc1cccnc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924021291 1123066865 /nfs/dbraw/zinc/06/68/65/1123066865.db2.gz HTDGFDZUXIGDKB-GFCCVEGCSA-N 1 2 329.429 3.686 20 0 EHADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000498795938 1123070433 /nfs/dbraw/zinc/07/04/33/1123070433.db2.gz RUDKPNQDANWEDK-HIFRSBDPSA-N 1 2 327.415 3.963 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000556699810 1123088267 /nfs/dbraw/zinc/08/82/67/1123088267.db2.gz LDQXCQBEKSZYGH-HOCLYGCPSA-N 1 2 331.847 3.757 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000556699808 1123088522 /nfs/dbraw/zinc/08/85/22/1123088522.db2.gz LDQXCQBEKSZYGH-GDBMZVCRSA-N 1 2 331.847 3.757 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515370 1123108107 /nfs/dbraw/zinc/10/81/07/1123108107.db2.gz LIQBOKSXXZESJT-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515370 1123108109 /nfs/dbraw/zinc/10/81/09/1123108109.db2.gz LIQBOKSXXZESJT-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000556763048 1123112958 /nfs/dbraw/zinc/11/29/58/1123112958.db2.gz JNNRXMUFUUCCRT-HNNXBMFYSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000556763048 1123112960 /nfs/dbraw/zinc/11/29/60/1123112960.db2.gz JNNRXMUFUUCCRT-HNNXBMFYSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)c1csc(CN2CC[NH+](Cc3cccs3)CC2)n1 ZINC000131568422 1123140377 /nfs/dbraw/zinc/14/03/77/1123140377.db2.gz MJVMBUNLELFSAR-UHFFFAOYSA-N 1 2 347.431 3.541 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000919765425 1123145607 /nfs/dbraw/zinc/14/56/07/1123145607.db2.gz VKWQHHJPSCYRQV-CQSZACIVSA-N 1 2 325.437 3.792 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000072802093 1123160812 /nfs/dbraw/zinc/16/08/12/1123160812.db2.gz RGKDJLZRSSYIBP-NSHDSACASA-N 1 2 342.917 3.642 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000072802093 1123160815 /nfs/dbraw/zinc/16/08/15/1123160815.db2.gz RGKDJLZRSSYIBP-NSHDSACASA-N 1 2 342.917 3.642 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000132048354 1123197674 /nfs/dbraw/zinc/19/76/74/1123197674.db2.gz XOYQRCBZQXUXPQ-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000195214886 1123259861 /nfs/dbraw/zinc/25/98/61/1123259861.db2.gz IWGUAGBDAOQFMK-INIZCTEOSA-N 1 2 343.471 3.978 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000195223679 1123263679 /nfs/dbraw/zinc/26/36/79/1123263679.db2.gz BSPIAOVWSHPEKG-ZDUSSCGKSA-N 1 2 339.361 3.687 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000195223679 1123263683 /nfs/dbraw/zinc/26/36/83/1123263683.db2.gz BSPIAOVWSHPEKG-ZDUSSCGKSA-N 1 2 339.361 3.687 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000132790763 1123301264 /nfs/dbraw/zinc/30/12/64/1123301264.db2.gz MDWFPKYAVQFRNZ-MELADBBJSA-N 1 2 329.469 3.550 20 0 EHADLO O=C(Nc1c(F)cccc1NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000132836228 1123306911 /nfs/dbraw/zinc/30/69/11/1123306911.db2.gz XCZXGNFOBQCMKY-UHFFFAOYSA-N 1 2 336.370 3.838 20 0 EHADLO Fc1ccnc(Cl)c1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213268035 1123307806 /nfs/dbraw/zinc/30/78/06/1123307806.db2.gz LPWHGZVFKLMSJJ-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)s1 ZINC000920304605 1123352508 /nfs/dbraw/zinc/35/25/08/1123352508.db2.gz YTQQRPCCQYEWMT-RWMBFGLXSA-N 1 2 327.519 3.931 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)s1 ZINC000920304605 1123352513 /nfs/dbraw/zinc/35/25/13/1123352513.db2.gz YTQQRPCCQYEWMT-RWMBFGLXSA-N 1 2 327.519 3.931 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1cccc(Cl)c1)C2 ZINC000609317117 1123382864 /nfs/dbraw/zinc/38/28/64/1123382864.db2.gz MIAYNNJDJIYPAM-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000609317117 1123382870 /nfs/dbraw/zinc/38/28/70/1123382870.db2.gz MIAYNNJDJIYPAM-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC(C)(C)C1 ZINC000076013416 1123454383 /nfs/dbraw/zinc/45/43/83/1123454383.db2.gz MSEWKUXJGUVCBF-LLVKDONJSA-N 1 2 325.250 3.508 20 0 EHADLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)CCC2 ZINC000921143981 1123476352 /nfs/dbraw/zinc/47/63/52/1123476352.db2.gz XWQBKKKOPXMQBN-UHFFFAOYSA-N 1 2 348.475 3.848 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc(Br)cn1 ZINC000921184795 1123480029 /nfs/dbraw/zinc/48/00/29/1123480029.db2.gz XWBPUMBBYHGATQ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc(Br)cn1 ZINC000921184795 1123480030 /nfs/dbraw/zinc/48/00/30/1123480030.db2.gz XWBPUMBBYHGATQ-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000076745595 1123516770 /nfs/dbraw/zinc/51/67/70/1123516770.db2.gz QSQGBAPRJHUONC-OAHLLOKOSA-N 1 2 346.421 3.994 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000076745595 1123516774 /nfs/dbraw/zinc/51/67/74/1123516774.db2.gz QSQGBAPRJHUONC-OAHLLOKOSA-N 1 2 346.421 3.994 20 0 EHADLO O=C(CCCC1CCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000079433161 1123695089 /nfs/dbraw/zinc/69/50/89/1123695089.db2.gz CQFBWPFXFAKDQY-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO CC(C)[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000079500540 1123699052 /nfs/dbraw/zinc/69/90/52/1123699052.db2.gz JTIRIMRDONYPIP-NRFANRHFSA-N 1 2 347.462 3.987 20 0 EHADLO CCCCSCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000610059109 1123723766 /nfs/dbraw/zinc/72/37/66/1123723766.db2.gz AAOKEGMOQWDDQJ-YFHOEESVSA-N 1 2 346.540 3.767 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)NCCCn1cc[nH+]c1)C(C)(C)C ZINC000079941419 1123731595 /nfs/dbraw/zinc/73/15/95/1123731595.db2.gz PUDPBXKHCBALCX-KRWDZBQOSA-N 1 2 328.460 3.668 20 0 EHADLO O=C(c1cccc2[nH]ccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000080669185 1123760521 /nfs/dbraw/zinc/76/05/21/1123760521.db2.gz VEAUZHUKQUNWTR-VMPITWQZSA-N 1 2 345.446 3.639 20 0 EHADLO C[C@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H](c2ccccc2)O1 ZINC000067873889 1123766108 /nfs/dbraw/zinc/76/61/08/1123766108.db2.gz UXBJFWQZIWRPAN-ORAYPTAESA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H](c2ccccc2)O1 ZINC000067873889 1123766110 /nfs/dbraw/zinc/76/61/10/1123766110.db2.gz UXBJFWQZIWRPAN-ORAYPTAESA-N 1 2 343.377 3.734 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(-c3cccs3)no2)cc1O ZINC000080962529 1123769650 /nfs/dbraw/zinc/76/96/50/1123769650.db2.gz CCHHESZRJIQQSK-NSHDSACASA-N 1 2 345.424 3.705 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(-c3cccs3)no2)cc1O ZINC000080962529 1123769654 /nfs/dbraw/zinc/76/96/54/1123769654.db2.gz CCHHESZRJIQQSK-NSHDSACASA-N 1 2 345.424 3.705 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1cc(F)ccc1F ZINC000615333520 1123783047 /nfs/dbraw/zinc/78/30/47/1123783047.db2.gz DZVRTMAHEABSBN-NXEZZACHSA-N 1 2 340.320 3.921 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245435622 1123826268 /nfs/dbraw/zinc/82/62/68/1123826268.db2.gz QOCPZYRWQKRRMI-AUSJPIAWSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245435622 1123826272 /nfs/dbraw/zinc/82/62/72/1123826272.db2.gz QOCPZYRWQKRRMI-AUSJPIAWSA-N 1 2 336.435 3.909 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1 ZINC000616102348 1123943763 /nfs/dbraw/zinc/94/37/63/1123943763.db2.gz JDWSSRNXJZDYNX-AWEZNQCLSA-N 1 2 331.847 3.788 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1nnc2n1CCCCC2 ZINC000428847167 1129155672 /nfs/dbraw/zinc/15/56/72/1129155672.db2.gz TXEWJMXWDUVQOE-JTQLQIEISA-N 1 2 344.406 3.936 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000068612254 1123989942 /nfs/dbraw/zinc/98/99/42/1123989942.db2.gz AQQKHBBEWTXTED-CQSZACIVSA-N 1 2 343.477 3.828 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000068612254 1123989944 /nfs/dbraw/zinc/98/99/44/1123989944.db2.gz AQQKHBBEWTXTED-CQSZACIVSA-N 1 2 343.477 3.828 20 0 EHADLO CCCCC[C@H](CC)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000180811662 1124081190 /nfs/dbraw/zinc/08/11/90/1124081190.db2.gz FPDOPGGPVAVKFB-ROUUACIJSA-N 1 2 331.504 3.893 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543052859 1129166044 /nfs/dbraw/zinc/16/60/44/1129166044.db2.gz VNVDFZLWEWIHMI-QZTJIDSGSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617173512 1124098795 /nfs/dbraw/zinc/09/87/95/1124098795.db2.gz FBCRBIJIUNVFPU-SFHVURJKSA-N 1 2 337.467 3.742 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246384113 1124101665 /nfs/dbraw/zinc/10/16/65/1124101665.db2.gz PAXRXOKBCNREBI-CABZTGNLSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246384113 1124101667 /nfs/dbraw/zinc/10/16/67/1124101667.db2.gz PAXRXOKBCNREBI-CABZTGNLSA-N 1 2 338.167 3.509 20 0 EHADLO CO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2C)C12CCC2 ZINC000453183774 1129173769 /nfs/dbraw/zinc/17/37/69/1129173769.db2.gz GZHFITWAARJOEK-MSOLQXFVSA-N 1 2 332.513 3.918 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246481002 1124481093 /nfs/dbraw/zinc/48/10/93/1124481093.db2.gz QPCZNGFCQKUXNY-KBAYOESNSA-N 1 2 342.487 3.544 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407330 1124526705 /nfs/dbraw/zinc/52/67/05/1124526705.db2.gz FVOIOUFUUUUYDG-INIZCTEOSA-N 1 2 339.483 3.995 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407330 1124526710 /nfs/dbraw/zinc/52/67/10/1124526710.db2.gz FVOIOUFUUUUYDG-INIZCTEOSA-N 1 2 339.483 3.995 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246943899 1124570266 /nfs/dbraw/zinc/57/02/66/1124570266.db2.gz SHFYRXLOIBTQJA-DLBZAZTESA-N 1 2 332.806 3.654 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246943899 1124570272 /nfs/dbraw/zinc/57/02/72/1124570272.db2.gz SHFYRXLOIBTQJA-DLBZAZTESA-N 1 2 332.806 3.654 20 0 EHADLO O=C(O[C@@H](c1ncccn1)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181190191 1124623582 /nfs/dbraw/zinc/62/35/82/1124623582.db2.gz WQJDFRSMPVRQPR-GOSISDBHSA-N 1 2 348.406 3.751 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248478802 1124667775 /nfs/dbraw/zinc/66/77/75/1124667775.db2.gz PZINEDHABWRSQC-ZWKOTPCHSA-N 1 2 334.410 3.717 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248478802 1124667777 /nfs/dbraw/zinc/66/77/77/1124667777.db2.gz PZINEDHABWRSQC-ZWKOTPCHSA-N 1 2 334.410 3.717 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000069390998 1124742993 /nfs/dbraw/zinc/74/29/93/1124742993.db2.gz WUPBUXVXUIWACW-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(C2CCC2)CC1 ZINC000617770356 1124771145 /nfs/dbraw/zinc/77/11/45/1124771145.db2.gz DYSORWAGJVJBJO-UHFFFAOYSA-N 1 2 347.409 3.662 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091261060 1124971564 /nfs/dbraw/zinc/97/15/64/1124971564.db2.gz RRVUHDKEYBMAAR-CVEARBPZSA-N 1 2 341.858 3.664 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)N(C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091261060 1124971575 /nfs/dbraw/zinc/97/15/75/1124971575.db2.gz RRVUHDKEYBMAAR-CVEARBPZSA-N 1 2 341.858 3.664 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2cccc3c[nH]nc32)o1 ZINC000092355624 1125087868 /nfs/dbraw/zinc/08/78/68/1125087868.db2.gz XNGGFYLKDSSALF-GOSISDBHSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2cccc3c[nH]nc32)o1 ZINC000092355624 1125087876 /nfs/dbraw/zinc/08/78/76/1125087876.db2.gz XNGGFYLKDSSALF-GOSISDBHSA-N 1 2 345.406 3.554 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCS[C@H](C)CC3)nc(=O)c2c1C ZINC000253587638 1125174916 /nfs/dbraw/zinc/17/49/16/1125174916.db2.gz GJVZEVIJNCLPEP-KOLCDFICSA-N 1 2 337.514 3.902 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+]3CCS[C@H](C)CC3)nc(=O)c2c1C ZINC000253587638 1125174917 /nfs/dbraw/zinc/17/49/17/1125174917.db2.gz GJVZEVIJNCLPEP-KOLCDFICSA-N 1 2 337.514 3.902 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000093234377 1125209434 /nfs/dbraw/zinc/20/94/34/1125209434.db2.gz WCDYBTMQJLSFGQ-QGZVFWFLSA-N 1 2 339.483 3.557 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000093234377 1125209441 /nfs/dbraw/zinc/20/94/41/1125209441.db2.gz WCDYBTMQJLSFGQ-QGZVFWFLSA-N 1 2 339.483 3.557 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCCNc1cccc[nH+]1 ZINC000152732530 1125373648 /nfs/dbraw/zinc/37/36/48/1125373648.db2.gz VBLWDHCDUILXJD-UHFFFAOYSA-N 1 2 342.830 3.757 20 0 EHADLO C[C@H](C[N@H+](C)CN1c2cccc3cccc(c23)C1=O)c1nccs1 ZINC000182842560 1125378811 /nfs/dbraw/zinc/37/88/11/1125378811.db2.gz ARMBZPXCNYNQBS-CYBMUJFWSA-N 1 2 337.448 3.950 20 0 EHADLO C[C@H](C[N@@H+](C)CN1c2cccc3cccc(c23)C1=O)c1nccs1 ZINC000182842560 1125378815 /nfs/dbraw/zinc/37/88/15/1125378815.db2.gz ARMBZPXCNYNQBS-CYBMUJFWSA-N 1 2 337.448 3.950 20 0 EHADLO COc1ccc([C@H](C)[C@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000182952834 1125404096 /nfs/dbraw/zinc/40/40/96/1125404096.db2.gz IPOPJNIQOZMJMG-CVEARBPZSA-N 1 2 328.456 3.728 20 0 EHADLO COc1ccc([C@@H](C)[C@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000182952851 1125404150 /nfs/dbraw/zinc/40/41/50/1125404150.db2.gz IPOPJNIQOZMJMG-HOTGVXAUSA-N 1 2 328.456 3.728 20 0 EHADLO Clc1ccc(OCC[NH2+][C@H]2CCCc3[nH]ncc32)cc1Cl ZINC000453277880 1129196853 /nfs/dbraw/zinc/19/68/53/1129196853.db2.gz CLVVDFWJFQEBNR-AWEZNQCLSA-N 1 2 326.227 3.763 20 0 EHADLO O=C(C1=CCCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282335013 1129229140 /nfs/dbraw/zinc/22/91/40/1129229140.db2.gz OHKYHFVLPMTJGU-QGZVFWFLSA-N 1 2 327.472 3.816 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079101976 1129235000 /nfs/dbraw/zinc/23/50/00/1129235000.db2.gz ISVHXUCKBMFKTA-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067064433 1129239990 /nfs/dbraw/zinc/23/99/90/1129239990.db2.gz TUQXEYAFKCTRHF-IBGZPJMESA-N 1 2 340.471 3.643 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000115211844 1129247036 /nfs/dbraw/zinc/24/70/36/1129247036.db2.gz HDKCDDBNSTYVGN-QGZVFWFLSA-N 1 2 349.409 3.748 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)ccn1 ZINC000347693667 1129256814 /nfs/dbraw/zinc/25/68/14/1129256814.db2.gz YPIZVGYBSPOEGK-LLVKDONJSA-N 1 2 329.425 3.966 20 0 EHADLO CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265829900 1129287964 /nfs/dbraw/zinc/28/79/64/1129287964.db2.gz PQIGNXJUAVEPGX-HXUWFJFHSA-N 1 2 348.450 3.940 20 0 EHADLO Cc1ccc2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000068229834 1129353772 /nfs/dbraw/zinc/35/37/72/1129353772.db2.gz ZJKIGJNILYBIBR-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cccc(C)c2Br)c1F ZINC000922248119 1129401389 /nfs/dbraw/zinc/40/13/89/1129401389.db2.gz AVMWCQYWPJTNBY-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265847850 1129415392 /nfs/dbraw/zinc/41/53/92/1129415392.db2.gz FLYSQRGESZWWPK-CHWSQXEVSA-N 1 2 347.821 3.712 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000466501435 1129496328 /nfs/dbraw/zinc/49/63/28/1129496328.db2.gz CNGLZMYUMAYVCJ-INIZCTEOSA-N 1 2 326.444 3.594 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2nc3ccc(F)cc3s2)c1 ZINC000428857573 1129538526 /nfs/dbraw/zinc/53/85/26/1129538526.db2.gz STCZJRNHVCDVLX-UHFFFAOYSA-N 1 2 349.456 3.668 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265867347 1129547745 /nfs/dbraw/zinc/54/77/45/1129547745.db2.gz ISCIZWXFJWFPTG-YNEHKIRRSA-N 1 2 347.821 3.712 20 0 EHADLO FC(F)Oc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Cl ZINC000922582333 1129581337 /nfs/dbraw/zinc/58/13/37/1129581337.db2.gz ZSFBAUMQZXGGSI-AWEZNQCLSA-N 1 2 339.773 3.972 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499945057 1129585827 /nfs/dbraw/zinc/58/58/27/1129585827.db2.gz KIDKYSKATHXYGZ-CQSZACIVSA-N 1 2 344.213 3.964 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961942 1129642947 /nfs/dbraw/zinc/64/29/47/1129642947.db2.gz AVRRDCLBCZJPFO-HZPDHXFCSA-N 1 2 328.460 3.606 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)[nH]1 ZINC000428961942 1129642949 /nfs/dbraw/zinc/64/29/49/1129642949.db2.gz AVRRDCLBCZJPFO-HZPDHXFCSA-N 1 2 328.460 3.606 20 0 EHADLO C[C@@H](C(=O)OCc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000735958151 1131394475 /nfs/dbraw/zinc/39/44/75/1131394475.db2.gz FJZAHUGISUQZAG-AWEZNQCLSA-N 1 2 329.827 3.830 20 0 EHADLO C[C@@H](C(=O)OCc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000735958151 1131394480 /nfs/dbraw/zinc/39/44/80/1131394480.db2.gz FJZAHUGISUQZAG-AWEZNQCLSA-N 1 2 329.827 3.830 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)C(F)(F)F ZINC000625238618 1129776445 /nfs/dbraw/zinc/77/64/45/1129776445.db2.gz ZIWDFCOPSZDIJI-CHWSQXEVSA-N 1 2 346.368 3.619 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)CC12CCC2 ZINC000282426797 1129783769 /nfs/dbraw/zinc/78/37/69/1129783769.db2.gz JVHGNMPUCQTEAC-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)CC12CCC2 ZINC000282426797 1129783770 /nfs/dbraw/zinc/78/37/70/1129783770.db2.gz JVHGNMPUCQTEAC-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO CCCCc1ccc(CC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673726397 1129812398 /nfs/dbraw/zinc/81/23/98/1129812398.db2.gz VHLBEHOLNOBZQL-UHFFFAOYSA-N 1 2 349.478 3.887 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000673736677 1129819370 /nfs/dbraw/zinc/81/93/70/1129819370.db2.gz BIJPPGSLYABYPL-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO COCC[C@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1ccco1 ZINC000625319316 1129825336 /nfs/dbraw/zinc/82/53/36/1129825336.db2.gz LZRODVYNNGKNIK-INIZCTEOSA-N 1 2 330.359 3.941 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccco1 ZINC000625319899 1129825498 /nfs/dbraw/zinc/82/54/98/1129825498.db2.gz RINQDGXHHYHJCB-ROUUACIJSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@](O)(C1CC[NH+](Cc2cc(O)ccc2Cl)CC1)C(F)(F)F ZINC000625328467 1129828307 /nfs/dbraw/zinc/82/83/07/1129828307.db2.gz WJLKSTYHYXIOSU-AWEZNQCLSA-N 1 2 337.769 3.571 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429119712 1129828530 /nfs/dbraw/zinc/82/85/30/1129828530.db2.gz YZJTUHHDCRKWKV-WBVHZDCISA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429119712 1129828536 /nfs/dbraw/zinc/82/85/36/1129828536.db2.gz YZJTUHHDCRKWKV-WBVHZDCISA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673772250 1129837601 /nfs/dbraw/zinc/83/76/01/1129837601.db2.gz TZHXMZBLKZIKDF-INIZCTEOSA-N 1 2 336.439 3.554 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)c1c[nH]c2ccc(F)cc12 ZINC000625371695 1129848687 /nfs/dbraw/zinc/84/86/87/1129848687.db2.gz VYAQCRCTUIOPPW-JTQLQIEISA-N 1 2 328.309 3.764 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)c1c[nH]c2ccc(F)cc12 ZINC000625371695 1129848691 /nfs/dbraw/zinc/84/86/91/1129848691.db2.gz VYAQCRCTUIOPPW-JTQLQIEISA-N 1 2 328.309 3.764 20 0 EHADLO Oc1ccc(Cl)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000625376102 1129849420 /nfs/dbraw/zinc/84/94/20/1129849420.db2.gz DDRZKIAYFGJKTR-UHFFFAOYSA-N 1 2 336.794 3.623 20 0 EHADLO O=C(C[NH+]1CCC(OC2CCC2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000625471247 1129894261 /nfs/dbraw/zinc/89/42/61/1129894261.db2.gz DFWUTVDPSSJQOW-UHFFFAOYSA-N 1 2 330.403 3.523 20 0 EHADLO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282460421 1129894918 /nfs/dbraw/zinc/89/49/18/1129894918.db2.gz WBGTZXZLVXMZDU-QGZVFWFLSA-N 1 2 348.450 3.721 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000543505913 1129908513 /nfs/dbraw/zinc/90/85/13/1129908513.db2.gz UOGWYGDISTYBOY-UONOGXRCSA-N 1 2 325.416 3.926 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1SCc1ccco1 ZINC000673944480 1129913061 /nfs/dbraw/zinc/91/30/61/1129913061.db2.gz IQUAAURNSKXZAI-UHFFFAOYSA-N 1 2 327.409 3.533 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(CC)nc2)cc1 ZINC000347845310 1129917892 /nfs/dbraw/zinc/91/78/92/1129917892.db2.gz MCXBLKFUSPWORB-MRXNPFEDSA-N 1 2 339.483 3.645 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(CC)nc2)cc1 ZINC000347845310 1129917894 /nfs/dbraw/zinc/91/78/94/1129917894.db2.gz MCXBLKFUSPWORB-MRXNPFEDSA-N 1 2 339.483 3.645 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625654899 1129967355 /nfs/dbraw/zinc/96/73/55/1129967355.db2.gz INYQJJIKFIDZHE-LBPRGKRZSA-N 1 2 325.790 3.731 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625654899 1129967357 /nfs/dbraw/zinc/96/73/57/1129967357.db2.gz INYQJJIKFIDZHE-LBPRGKRZSA-N 1 2 325.790 3.731 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625654893 1129967496 /nfs/dbraw/zinc/96/74/96/1129967496.db2.gz INYQJJIKFIDZHE-GFCCVEGCSA-N 1 2 325.790 3.731 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625654893 1129967498 /nfs/dbraw/zinc/96/74/98/1129967498.db2.gz INYQJJIKFIDZHE-GFCCVEGCSA-N 1 2 325.790 3.731 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccccc1F ZINC000059389764 1129985484 /nfs/dbraw/zinc/98/54/84/1129985484.db2.gz SKYWRBCPBQAHCW-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000059389764 1129985486 /nfs/dbraw/zinc/98/54/86/1129985486.db2.gz SKYWRBCPBQAHCW-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO O=C(NCC1(Sc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171910323 1130096928 /nfs/dbraw/zinc/09/69/28/1130096928.db2.gz IPWYSJYGNPSVQD-UHFFFAOYSA-N 1 2 349.459 3.927 20 0 EHADLO CC[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1cccc(C)c1 ZINC000674569053 1130135033 /nfs/dbraw/zinc/13/50/33/1130135033.db2.gz RDLILBOIOMZNMG-MRXNPFEDSA-N 1 2 338.411 3.622 20 0 EHADLO CC1(C)CCc2cc(C[NH2+]Cc3nnc(-c4ccccc4)[nH]3)ccc2O1 ZINC000733900992 1130183663 /nfs/dbraw/zinc/18/36/63/1130183663.db2.gz VWFZSRILHALTFV-UHFFFAOYSA-N 1 2 348.450 3.865 20 0 EHADLO CCn1c(C[NH2+][C@H]2COc3c2cccc3Cl)nc2ccccc21 ZINC000675103891 1130253903 /nfs/dbraw/zinc/25/39/03/1130253903.db2.gz HJSCCBLXPGMUGD-HNNXBMFYSA-N 1 2 327.815 3.933 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000675257598 1130300056 /nfs/dbraw/zinc/30/00/56/1130300056.db2.gz OAQHTAQJOLMGNY-XYVMCAHJSA-N 1 2 341.455 3.642 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1SC(F)(F)F ZINC000766108182 1130321722 /nfs/dbraw/zinc/32/17/22/1130321722.db2.gz HGAZEQZBQBZSFI-GHMZBOCLSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1SC(F)(F)F ZINC000766108182 1130321728 /nfs/dbraw/zinc/32/17/28/1130321728.db2.gz HGAZEQZBQBZSFI-GHMZBOCLSA-N 1 2 335.391 3.916 20 0 EHADLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1C(F)(F)F ZINC000675573919 1130428331 /nfs/dbraw/zinc/42/83/31/1130428331.db2.gz ZERLLYFVGWVLEI-LBPRGKRZSA-N 1 2 347.340 3.773 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)n1 ZINC000675898580 1130498116 /nfs/dbraw/zinc/49/81/16/1130498116.db2.gz XUXVGNAAFFXHFQ-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3cnn(C)c3)n2)n1 ZINC000675898580 1130498119 /nfs/dbraw/zinc/49/81/19/1130498119.db2.gz XUXVGNAAFFXHFQ-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cc(F)ccc1-c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000705985419 1130549321 /nfs/dbraw/zinc/54/93/21/1130549321.db2.gz CQQLCMWFUDFQNU-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000706001609 1130550129 /nfs/dbraw/zinc/55/01/29/1130550129.db2.gz RBRQRCIRICYSAD-IACUBPJLSA-N 1 2 337.370 3.578 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)C1 ZINC000728050697 1130621928 /nfs/dbraw/zinc/62/19/28/1130621928.db2.gz XBINMNRZCLDQJU-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)C1 ZINC000728050697 1130621933 /nfs/dbraw/zinc/62/19/33/1130621933.db2.gz XBINMNRZCLDQJU-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000288083170 1130632644 /nfs/dbraw/zinc/63/26/44/1130632644.db2.gz NRYSDKPDUQITIQ-YJBOKZPZSA-N 1 2 334.423 3.627 20 0 EHADLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000729986215 1130662797 /nfs/dbraw/zinc/66/27/97/1130662797.db2.gz XYJKRJFVCJYYTO-UHFFFAOYSA-N 1 2 345.830 3.637 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3ccccc3[C@@H]2C)c1C ZINC000730125417 1130677462 /nfs/dbraw/zinc/67/74/62/1130677462.db2.gz LDABDRQTKZFMED-HNNXBMFYSA-N 1 2 339.439 3.536 20 0 EHADLO Cc1nc(-c2ccccc2)sc1COC(=O)CCCn1cc[nH+]c1 ZINC000730184275 1130685357 /nfs/dbraw/zinc/68/53/57/1130685357.db2.gz VHYTYOANUIOLQV-UHFFFAOYSA-N 1 2 341.436 3.839 20 0 EHADLO COc1ccc(-c2ccc(C(=O)Nc3cc[nH+]c(C)c3)c(F)c2)cc1 ZINC000730274948 1130694489 /nfs/dbraw/zinc/69/44/89/1130694489.db2.gz UMGJKWUNUOZIMN-UHFFFAOYSA-N 1 2 336.366 3.879 20 0 EHADLO CC[C@@](C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000730763450 1130736756 /nfs/dbraw/zinc/73/67/56/1130736756.db2.gz BJJAXPJUNUBYAO-OAQYLSRUSA-N 1 2 333.435 3.987 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000732052889 1130884645 /nfs/dbraw/zinc/88/46/45/1130884645.db2.gz SHRPTEIFAHCNEC-NTCAYCPXSA-N 1 2 344.455 3.635 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000732201146 1130899347 /nfs/dbraw/zinc/89/93/47/1130899347.db2.gz LNZFDJACOWRPIZ-IBGZPJMESA-N 1 2 340.854 3.812 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000732201146 1130899352 /nfs/dbraw/zinc/89/93/52/1130899352.db2.gz LNZFDJACOWRPIZ-IBGZPJMESA-N 1 2 340.854 3.812 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)/C=C/C3CCOCC3)c2)[nH+]c1C ZINC000732657526 1130944314 /nfs/dbraw/zinc/94/43/14/1130944314.db2.gz RREPCZUQWDXJKJ-VOTSOKGWSA-N 1 2 325.412 3.615 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C=CC3CCOCC3)c2)[nH+]c1C ZINC000732657526 1130944317 /nfs/dbraw/zinc/94/43/17/1130944317.db2.gz RREPCZUQWDXJKJ-VOTSOKGWSA-N 1 2 325.412 3.615 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000732989228 1130980349 /nfs/dbraw/zinc/98/03/49/1130980349.db2.gz QBTOLRGMSIIBKF-IYOUNJFTSA-N 1 2 336.426 3.606 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000732989228 1130980354 /nfs/dbraw/zinc/98/03/54/1130980354.db2.gz QBTOLRGMSIIBKF-IYOUNJFTSA-N 1 2 336.426 3.606 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2nc(N(C)C)sc2=S)cc1 ZINC000733300161 1131019145 /nfs/dbraw/zinc/01/91/45/1131019145.db2.gz KAAMRTSWFIRDGR-HNNXBMFYSA-N 1 2 348.541 3.713 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cn2nc(N(C)C)sc2=S)cc1 ZINC000733300161 1131019151 /nfs/dbraw/zinc/01/91/51/1131019151.db2.gz KAAMRTSWFIRDGR-HNNXBMFYSA-N 1 2 348.541 3.713 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000282588236 1131108957 /nfs/dbraw/zinc/10/89/57/1131108957.db2.gz GOBPYQZQRUAKNB-UHFFFAOYSA-N 1 2 329.835 3.525 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccco1 ZINC000348070672 1131138992 /nfs/dbraw/zinc/13/89/92/1131138992.db2.gz WPRPBVGAIZNCFE-UHFFFAOYSA-N 1 2 329.425 3.738 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccco1 ZINC000348070672 1131138994 /nfs/dbraw/zinc/13/89/94/1131138994.db2.gz WPRPBVGAIZNCFE-UHFFFAOYSA-N 1 2 329.425 3.738 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000626093222 1131152992 /nfs/dbraw/zinc/15/29/92/1131152992.db2.gz UXTKSPLVVDDQRE-UGSOOPFHSA-N 1 2 338.455 3.689 20 0 EHADLO CCCCCCOc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000733985477 1131178965 /nfs/dbraw/zinc/17/89/65/1131178965.db2.gz GDQRUDZBSAEHPL-UHFFFAOYSA-N 1 2 327.428 3.539 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C(C)C)CC2)c1C ZINC000734215860 1131212100 /nfs/dbraw/zinc/21/21/00/1131212100.db2.gz LAQZNTXDTODTIN-MRXNPFEDSA-N 1 2 333.476 3.675 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059317 1131462178 /nfs/dbraw/zinc/46/21/78/1131462178.db2.gz XKPIHBVLMSMHKZ-HNAYVOBHSA-N 1 2 343.446 3.908 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059317 1131462180 /nfs/dbraw/zinc/46/21/80/1131462180.db2.gz XKPIHBVLMSMHKZ-HNAYVOBHSA-N 1 2 343.446 3.908 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@@H]2C)nc1-c1ccncc1 ZINC000738220919 1131464203 /nfs/dbraw/zinc/46/42/03/1131464203.db2.gz AMKVVPNKTVRNGD-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@@H]2C)nc1-c1ccncc1 ZINC000738220919 1131464204 /nfs/dbraw/zinc/46/42/04/1131464204.db2.gz AMKVVPNKTVRNGD-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000738460264 1131472138 /nfs/dbraw/zinc/47/21/38/1131472138.db2.gz JBSOFAKKQJXHTP-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000738950869 1131490595 /nfs/dbraw/zinc/49/05/95/1131490595.db2.gz UIZZIKIZAHPRIC-NSHDSACASA-N 1 2 329.429 3.633 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)Cc3cccs3)c2C)no1 ZINC000740610280 1131534737 /nfs/dbraw/zinc/53/47/37/1131534737.db2.gz VRKNHNVRIAYYEW-UHFFFAOYSA-N 1 2 343.452 3.767 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)Cc3cccs3)c2C)no1 ZINC000740610280 1131534740 /nfs/dbraw/zinc/53/47/40/1131534740.db2.gz VRKNHNVRIAYYEW-UHFFFAOYSA-N 1 2 343.452 3.767 20 0 EHADLO C[C@H](CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000740727365 1131538386 /nfs/dbraw/zinc/53/83/86/1131538386.db2.gz NDQMAWDVRSOURE-BSDKJSHOSA-N 1 2 325.456 3.646 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000740853495 1131548356 /nfs/dbraw/zinc/54/83/56/1131548356.db2.gz BFROLXAMZVWDOY-QAPCUYQASA-N 1 2 334.485 3.654 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000740853495 1131548360 /nfs/dbraw/zinc/54/83/60/1131548360.db2.gz BFROLXAMZVWDOY-QAPCUYQASA-N 1 2 334.485 3.654 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000740860950 1131554020 /nfs/dbraw/zinc/55/40/20/1131554020.db2.gz SPDQXPOTPMJZFL-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000740860950 1131554024 /nfs/dbraw/zinc/55/40/24/1131554024.db2.gz SPDQXPOTPMJZFL-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000740911074 1131557450 /nfs/dbraw/zinc/55/74/50/1131557450.db2.gz XSLVCTPMNKDCMM-UHFFFAOYSA-N 1 2 348.450 3.531 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCOc1cccc(C)c1)c1ccccc1 ZINC000741150244 1131583752 /nfs/dbraw/zinc/58/37/52/1131583752.db2.gz BIFYQIXEBYEHND-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1cccc(C)c1)c1ccccc1 ZINC000741150244 1131583755 /nfs/dbraw/zinc/58/37/55/1131583755.db2.gz BIFYQIXEBYEHND-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO Cc1cccc(C2(O)CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)c1C ZINC000741799642 1131651497 /nfs/dbraw/zinc/65/14/97/1131651497.db2.gz DDUMVJADWUVAHB-INIZCTEOSA-N 1 2 343.471 3.854 20 0 EHADLO S=C(NCc1ccccc1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741874675 1131662899 /nfs/dbraw/zinc/66/28/99/1131662899.db2.gz JLAXKQFKTUVYKP-SFHVURJKSA-N 1 2 348.475 3.562 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C[C@@H]21 ZINC000742167152 1131692494 /nfs/dbraw/zinc/69/24/94/1131692494.db2.gz UZBJFIBHPUBBQI-OKILXGFUSA-N 1 2 334.876 3.602 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C[C@@H]21 ZINC000742167152 1131692495 /nfs/dbraw/zinc/69/24/95/1131692495.db2.gz UZBJFIBHPUBBQI-OKILXGFUSA-N 1 2 334.876 3.602 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)CCOCC(C)C ZINC001172478514 1131737246 /nfs/dbraw/zinc/73/72/46/1131737246.db2.gz AWQDMQBZVAWEDV-HNNXBMFYSA-N 1 2 327.490 3.564 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)CCOCC(C)C ZINC001172478514 1131737251 /nfs/dbraw/zinc/73/72/51/1131737251.db2.gz AWQDMQBZVAWEDV-HNNXBMFYSA-N 1 2 327.490 3.564 20 0 EHADLO CC(C)COCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172477997 1131737904 /nfs/dbraw/zinc/73/79/04/1131737904.db2.gz FVWZEFVZFAINFH-IRXDYDNUSA-N 1 2 332.479 3.633 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001172571474 1131778425 /nfs/dbraw/zinc/77/84/25/1131778425.db2.gz OFVKMSLDTHYHEI-GXFFZTMASA-N 1 2 333.781 3.942 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001172571474 1131778434 /nfs/dbraw/zinc/77/84/34/1131778434.db2.gz OFVKMSLDTHYHEI-GXFFZTMASA-N 1 2 333.781 3.942 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(C(F)(F)F)c3F)cc2)C1 ZINC001212668126 1131784342 /nfs/dbraw/zinc/78/43/42/1131784342.db2.gz IPWRLYNKYGAYKW-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC001212671863 1131786552 /nfs/dbraw/zinc/78/65/52/1131786552.db2.gz ZBRUJBFJJFMKQF-UHFFFAOYSA-N 1 2 330.431 3.859 20 0 EHADLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623493 1131808986 /nfs/dbraw/zinc/80/89/86/1131808986.db2.gz RMAOBSSEZIRPKT-HUUCEWRRSA-N 1 2 342.464 3.858 20 0 EHADLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623493 1131808992 /nfs/dbraw/zinc/80/89/92/1131808992.db2.gz RMAOBSSEZIRPKT-HUUCEWRRSA-N 1 2 342.464 3.858 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720199 1131819635 /nfs/dbraw/zinc/81/96/35/1131819635.db2.gz WUZSNKPMRXIIMC-INIZCTEOSA-N 1 2 348.874 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720199 1131819643 /nfs/dbraw/zinc/81/96/43/1131819643.db2.gz WUZSNKPMRXIIMC-INIZCTEOSA-N 1 2 348.874 3.502 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743347950 1131905540 /nfs/dbraw/zinc/90/55/40/1131905540.db2.gz BVMXHFFCXMVABK-KRWDZBQOSA-N 1 2 332.806 3.842 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743347950 1131905545 /nfs/dbraw/zinc/90/55/45/1131905545.db2.gz BVMXHFFCXMVABK-KRWDZBQOSA-N 1 2 332.806 3.842 20 0 EHADLO Fc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1Br ZINC001212693415 1131906235 /nfs/dbraw/zinc/90/62/35/1131906235.db2.gz VRHFWOVITUKOLQ-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO Cn1c2ccccc2n(C[NH+]2CCC(C(F)(F)F)CC2)c1=S ZINC000743385943 1131907169 /nfs/dbraw/zinc/90/71/69/1131907169.db2.gz STHNCHSTDSCBMA-UHFFFAOYSA-N 1 2 329.391 3.941 20 0 EHADLO COc1cc(OC)c(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212696794 1131919280 /nfs/dbraw/zinc/91/92/80/1131919280.db2.gz MEESOYCTQBQKQF-UHFFFAOYSA-N 1 2 327.359 3.831 20 0 EHADLO Fc1cccc(-n2nccc2Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695306 1131925575 /nfs/dbraw/zinc/92/55/75/1131925575.db2.gz YBPBUKNFXVSLOJ-UHFFFAOYSA-N 1 2 333.370 4.000 20 0 EHADLO COc1ccc(-n2nccc2Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212695322 1131925699 /nfs/dbraw/zinc/92/56/99/1131925699.db2.gz ZDEINEDKAOAVEC-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO Fc1cccc(OC2COC2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699805 1131934774 /nfs/dbraw/zinc/93/47/74/1131934774.db2.gz FLHXFAKGECVIME-UHFFFAOYSA-N 1 2 339.370 3.592 20 0 EHADLO CNc1ccc(C(=O)OC)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696947 1131935385 /nfs/dbraw/zinc/93/53/85/1131935385.db2.gz WOUIPRLSLGWJGM-UHFFFAOYSA-N 1 2 336.395 3.503 20 0 EHADLO O=C1CCOc2c(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc(F)c21 ZINC001212700189 1131935976 /nfs/dbraw/zinc/93/59/76/1131935976.db2.gz YHEQBYMMBXCKGN-UHFFFAOYSA-N 1 2 337.354 3.779 20 0 EHADLO COC(=O)c1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697924 1131936516 /nfs/dbraw/zinc/93/65/16/1131936516.db2.gz BRVKAOQRDUCBNQ-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO CCC(CC)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)SC ZINC000743560283 1131940821 /nfs/dbraw/zinc/94/08/21/1131940821.db2.gz DDHHMAMDTPWVSA-UHFFFAOYSA-N 1 2 346.500 3.593 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001173085930 1131964792 /nfs/dbraw/zinc/96/47/92/1131964792.db2.gz LGINLPATJSNJIZ-DOMZBBRYSA-N 1 2 347.377 3.694 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001173116655 1131971269 /nfs/dbraw/zinc/97/12/69/1131971269.db2.gz UKRBGIKHTCASKZ-ZBFHGGJFSA-N 1 2 325.493 3.560 20 0 EHADLO CCCC[C@H](CC(C)C)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC ZINC001173250797 1132018671 /nfs/dbraw/zinc/01/86/71/1132018671.db2.gz VJGMZINAOXHHMT-CVEARBPZSA-N 1 2 343.508 3.844 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H](c2ccccc2)O1 ZINC000744146611 1132032637 /nfs/dbraw/zinc/03/26/37/1132032637.db2.gz HIVPPYWDOPKJEL-UTKZUKDTSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H](c2ccccc2)O1 ZINC000744146611 1132032642 /nfs/dbraw/zinc/03/26/42/1132032642.db2.gz HIVPPYWDOPKJEL-UTKZUKDTSA-N 1 2 333.435 3.970 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1C ZINC000065388368 1132118432 /nfs/dbraw/zinc/11/84/32/1132118432.db2.gz PIXDARLWNLHLFK-BRWVUGGUSA-N 1 2 345.487 3.865 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1csc(-c2ccc(C)o2)n1 ZINC000745086408 1132190540 /nfs/dbraw/zinc/19/05/40/1132190540.db2.gz RNAXPGLNGXSAOT-AWEZNQCLSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1csc(-c2ccc(C)o2)n1 ZINC000745086408 1132190546 /nfs/dbraw/zinc/19/05/46/1132190546.db2.gz RNAXPGLNGXSAOT-AWEZNQCLSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCCc1cccc(OC)c1)c1ccccc1 ZINC000745099035 1132193630 /nfs/dbraw/zinc/19/36/30/1132193630.db2.gz GFNBKPBHMNBJPE-FQEVSTJZSA-N 1 2 341.451 3.864 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCCc1cccc(OC)c1)c1ccccc1 ZINC000745099035 1132193635 /nfs/dbraw/zinc/19/36/35/1132193635.db2.gz GFNBKPBHMNBJPE-FQEVSTJZSA-N 1 2 341.451 3.864 20 0 EHADLO CCCc1nc(COC(=O)[C@H](c2ccccc2)[N@H+](C)CC)cs1 ZINC000745101415 1132193923 /nfs/dbraw/zinc/19/39/23/1132193923.db2.gz QDHVUBYIIZHDDZ-KRWDZBQOSA-N 1 2 332.469 3.832 20 0 EHADLO CCCc1nc(COC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cs1 ZINC000745101415 1132193926 /nfs/dbraw/zinc/19/39/26/1132193926.db2.gz QDHVUBYIIZHDDZ-KRWDZBQOSA-N 1 2 332.469 3.832 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000745099780 1132194339 /nfs/dbraw/zinc/19/43/39/1132194339.db2.gz ZRRMARVYYMUXRI-GOSISDBHSA-N 1 2 331.387 3.571 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000745099780 1132194343 /nfs/dbraw/zinc/19/43/43/1132194343.db2.gz ZRRMARVYYMUXRI-GOSISDBHSA-N 1 2 331.387 3.571 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1ccccc1-n1cc[nH+]c1 ZINC001174055035 1132209785 /nfs/dbraw/zinc/20/97/85/1132209785.db2.gz CWAYSFHPBUPCGW-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COCc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001174093744 1132225532 /nfs/dbraw/zinc/22/55/32/1132225532.db2.gz WUPUKTKHBBCJOB-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(N4CCOCC4)nc3)ccc21 ZINC001174381355 1132343031 /nfs/dbraw/zinc/34/30/31/1132343031.db2.gz XHYREZMTAFQEJU-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO c1ccc2c(c1)C[C@H]1c3c(cccc3Nc3cncnc3)CC[N@H+]1C2 ZINC001174385831 1132346268 /nfs/dbraw/zinc/34/62/68/1132346268.db2.gz DRIQWHBAIKOCGZ-FQEVSTJZSA-N 1 2 328.419 3.876 20 0 EHADLO c1ccc2c(c1)C[C@H]1c3c(cccc3Nc3cncnc3)CC[N@@H+]1C2 ZINC001174385831 1132346277 /nfs/dbraw/zinc/34/62/77/1132346277.db2.gz DRIQWHBAIKOCGZ-FQEVSTJZSA-N 1 2 328.419 3.876 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1OC ZINC001174426817 1132351321 /nfs/dbraw/zinc/35/13/21/1132351321.db2.gz QQFDSSKYUACYMF-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO c1ccc2c(c1)ccnc2Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174430208 1132353226 /nfs/dbraw/zinc/35/32/26/1132353226.db2.gz RTJQDAGGVPVLOP-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cs1 ZINC000746099056 1132370671 /nfs/dbraw/zinc/37/06/71/1132370671.db2.gz XZXDEGWPDAROHH-CQSZACIVSA-N 1 2 344.480 3.757 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)cs1 ZINC000746099056 1132370679 /nfs/dbraw/zinc/37/06/79/1132370679.db2.gz XZXDEGWPDAROHH-CQSZACIVSA-N 1 2 344.480 3.757 20 0 EHADLO COCCOc1cccc(F)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525418 1132382643 /nfs/dbraw/zinc/38/26/43/1132382643.db2.gz YAIZTWMZCPPWIN-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO COC(=O)c1cc2c(ccn2-c2ccc([NH+]3CCCC3)cc2)c(N)c1 ZINC001174529643 1132384296 /nfs/dbraw/zinc/38/42/96/1132384296.db2.gz QVUJKPOHVQKNBQ-UHFFFAOYSA-N 1 2 335.407 3.600 20 0 EHADLO Cn1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C(F)(F)F)n1 ZINC001174523170 1132400435 /nfs/dbraw/zinc/40/04/35/1132400435.db2.gz IPTKZWDRVCRHTB-UHFFFAOYSA-N 1 2 325.338 3.568 20 0 EHADLO COC(=O)c1c(F)cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174522892 1132400483 /nfs/dbraw/zinc/40/04/83/1132400483.db2.gz DTAOIHCITPKODP-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO COC(=O)Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524897 1132401220 /nfs/dbraw/zinc/40/12/20/1132401220.db2.gz UTEKJTPCVUOVNW-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cncc(C(C)(C)O)c2)cc[nH+]1 ZINC001174588335 1132408588 /nfs/dbraw/zinc/40/85/88/1132408588.db2.gz XJZILFJEVNFMFN-UHFFFAOYSA-N 1 2 344.415 3.795 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc2cnccc21 ZINC000185849486 1132418940 /nfs/dbraw/zinc/41/89/40/1132418940.db2.gz JLXDNPYLWMWTTB-UHFFFAOYSA-N 1 2 332.407 3.843 20 0 EHADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1c(Cl)cccc1Cl ZINC000188854429 1132440044 /nfs/dbraw/zinc/44/00/44/1132440044.db2.gz JGYKVPJIXUCONL-SNVBAGLBSA-N 1 2 326.227 3.569 20 0 EHADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1c(Cl)cccc1Cl ZINC000188854429 1132440048 /nfs/dbraw/zinc/44/00/48/1132440048.db2.gz JGYKVPJIXUCONL-SNVBAGLBSA-N 1 2 326.227 3.569 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000189026269 1132441530 /nfs/dbraw/zinc/44/15/30/1132441530.db2.gz JVOZTGVZEGBGLJ-JTQLQIEISA-N 1 2 326.227 3.869 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000189026269 1132441536 /nfs/dbraw/zinc/44/15/36/1132441536.db2.gz JVOZTGVZEGBGLJ-JTQLQIEISA-N 1 2 326.227 3.869 20 0 EHADLO CCOc1ccc([C@@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc2)cc1 ZINC000189085381 1132441860 /nfs/dbraw/zinc/44/18/60/1132441860.db2.gz ZKLQMOWUXFZJED-NRFANRHFSA-N 1 2 349.434 3.647 20 0 EHADLO CCOc1ccc([C@@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc2)cc1 ZINC000189085381 1132441862 /nfs/dbraw/zinc/44/18/62/1132441862.db2.gz ZKLQMOWUXFZJED-NRFANRHFSA-N 1 2 349.434 3.647 20 0 EHADLO c1cn(Cc2cccc(Nc3ccc(N4CCOCC4)cc3)c2)c[nH+]1 ZINC001174709368 1132448304 /nfs/dbraw/zinc/44/83/04/1132448304.db2.gz ULGNUVRXCDVBND-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO Nc1ccccc1-c1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976060 1132509742 /nfs/dbraw/zinc/50/97/42/1132509742.db2.gz JZQNUSYQVBDUOJ-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO Clc1ccc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)cnc2c1 ZINC001174974049 1132509987 /nfs/dbraw/zinc/50/99/87/1132509987.db2.gz FPASHADBAXVKBM-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Oc1cc(Cl)c(Cl)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976057 1132510016 /nfs/dbraw/zinc/51/00/16/1132510016.db2.gz JZPBVNSIIIOFGA-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)[nH]2)cc1 ZINC000766382095 1132524257 /nfs/dbraw/zinc/52/42/57/1132524257.db2.gz PMKYTLSMCPZPDJ-CHWSQXEVSA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@@H](C)[C@H](C)C3)[nH]2)cc1 ZINC000766382095 1132524263 /nfs/dbraw/zinc/52/42/63/1132524263.db2.gz PMKYTLSMCPZPDJ-CHWSQXEVSA-N 1 2 332.473 3.552 20 0 EHADLO COc1cc(F)cc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001175007082 1132527912 /nfs/dbraw/zinc/52/79/12/1132527912.db2.gz FYKRBDBOANIVAX-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@@H](c2ccccc2F)C1 ZINC000766407336 1132531405 /nfs/dbraw/zinc/53/14/05/1132531405.db2.gz JVERHLFWQVJQSH-CYBMUJFWSA-N 1 2 339.418 3.714 20 0 EHADLO Clc1cc2cccnc2c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174979229 1132533378 /nfs/dbraw/zinc/53/33/78/1132533378.db2.gz HKRUSMXIMWTNSD-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCOCCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCC1 ZINC000766424207 1132536301 /nfs/dbraw/zinc/53/63/01/1132536301.db2.gz JLOPMTDEFZORLX-UHFFFAOYSA-N 1 2 331.464 3.590 20 0 EHADLO COc1cc(Nc2ccc3[nH+]cc(Br)n3c2)cc(OC)c1 ZINC001175105948 1132554686 /nfs/dbraw/zinc/55/46/86/1132554686.db2.gz KGHMXJMIGVPMNB-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC(C)c1cc(CNc2[nH+]cccc2CC(=O)OC(C)(C)C)on1 ZINC001168827536 1132572117 /nfs/dbraw/zinc/57/21/17/1132572117.db2.gz LBOGAAVQMVWTAF-UHFFFAOYSA-N 1 2 331.416 3.689 20 0 EHADLO Cc1cc(NC2CCN(C(=O)Nc3ccccc3)CC2)[nH+]c2cc[nH]c21 ZINC001168941367 1132611927 /nfs/dbraw/zinc/61/19/27/1132611927.db2.gz HBIBAOXQKNMXGR-UHFFFAOYSA-N 1 2 349.438 3.980 20 0 EHADLO CC(=O)OCc1cccc(C)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001212768639 1132623926 /nfs/dbraw/zinc/62/39/26/1132623926.db2.gz QVTQFWVMXDXXLS-UHFFFAOYSA-N 1 2 325.412 3.797 20 0 EHADLO CN(C)c1ccc(Nc2ccccc2-c2nc(CO)cs2)c[nH+]1 ZINC001175344450 1132627096 /nfs/dbraw/zinc/62/70/96/1132627096.db2.gz TYNGYGOUUAHHIS-UHFFFAOYSA-N 1 2 326.425 3.507 20 0 EHADLO CN(C)c1ccc(Nc2cccc(C(=O)NC3CCCCC3)c2)c[nH+]1 ZINC001175344131 1132627416 /nfs/dbraw/zinc/62/74/16/1132627416.db2.gz WEMQMUPVDSUYAU-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO CC(=O)c1cccc(Br)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175344754 1132627449 /nfs/dbraw/zinc/62/74/49/1132627449.db2.gz ZMNJLGNEJHMGDB-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO CCOC(=O)c1cc2cc(Nc3ccc(N(C)C)[nH+]c3)ccc2o1 ZINC001175343863 1132627718 /nfs/dbraw/zinc/62/77/18/1132627718.db2.gz RGVHXTSHFASAHO-UHFFFAOYSA-N 1 2 325.368 3.814 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nccnc3c2Br)c[nH+]1 ZINC001175344118 1132627778 /nfs/dbraw/zinc/62/77/78/1132627778.db2.gz VGEGSEMFDYXUHC-UHFFFAOYSA-N 1 2 344.216 3.597 20 0 EHADLO COc1cccc(-n2ncc(C)c2Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175347297 1132628739 /nfs/dbraw/zinc/62/87/39/1132628739.db2.gz HGUFKGKLOZXKJU-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1noc(Cc2ccccc2)n1 ZINC001169054537 1132644358 /nfs/dbraw/zinc/64/43/58/1132644358.db2.gz AHMDQTAPTVNYCG-WBVHZDCISA-N 1 2 341.455 3.803 20 0 EHADLO COCCOc1cc(NCc2ccsc2Br)cc[nH+]1 ZINC001169058260 1132646666 /nfs/dbraw/zinc/64/66/66/1132646666.db2.gz CGRULCJSBXSOGE-UHFFFAOYSA-N 1 2 343.246 3.543 20 0 EHADLO CCOC(=O)C[N@H+](CCc1c(Cl)cccc1Cl)C1CCC1 ZINC001169073419 1132651865 /nfs/dbraw/zinc/65/18/65/1132651865.db2.gz YXBMKTKNRGQVEX-UHFFFAOYSA-N 1 2 330.255 3.954 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1c(Cl)cccc1Cl)C1CCC1 ZINC001169073419 1132651869 /nfs/dbraw/zinc/65/18/69/1132651869.db2.gz YXBMKTKNRGQVEX-UHFFFAOYSA-N 1 2 330.255 3.954 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cc(F)cc(Cl)c1 ZINC001169158307 1132681791 /nfs/dbraw/zinc/68/17/91/1132681791.db2.gz GQYYUMJBLBGZNL-UHFFFAOYSA-N 1 2 343.789 3.773 20 0 EHADLO CC[C@H](C)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502992 1132691572 /nfs/dbraw/zinc/69/15/72/1132691572.db2.gz GYWMXOCEUQMDHB-JOYOIKCWSA-N 1 2 334.279 3.703 20 0 EHADLO CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502992 1132691574 /nfs/dbraw/zinc/69/15/74/1132691574.db2.gz GYWMXOCEUQMDHB-JOYOIKCWSA-N 1 2 334.279 3.703 20 0 EHADLO COc1cc(CCNc2cc[nH+]c(OCc3ccccc3)c2)ccn1 ZINC001169223212 1132699609 /nfs/dbraw/zinc/69/96/09/1132699609.db2.gz DDLJYKFRYFGPFP-UHFFFAOYSA-N 1 2 335.407 3.719 20 0 EHADLO CC(=O)c1c(C)[nH]c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1C ZINC001212589025 1132728246 /nfs/dbraw/zinc/72/82/46/1132728246.db2.gz QNDYCLKYXFDZDN-UHFFFAOYSA-N 1 2 347.378 3.737 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@@H]3C[C@@H](C)c4ccccc43)nc2[nH]1 ZINC001169364769 1132733637 /nfs/dbraw/zinc/73/36/37/1132733637.db2.gz MHXDZJCGQRTCNW-IAQYHMDHSA-N 1 2 336.395 3.747 20 0 EHADLO COC(=O)c1cc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C)c1 ZINC001175713901 1132740533 /nfs/dbraw/zinc/74/05/33/1132740533.db2.gz GCRGHCQLMVFCIQ-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO CCOC(=O)c1ccc(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717911 1132742818 /nfs/dbraw/zinc/74/28/18/1132742818.db2.gz XEHACROWLNSPRZ-UHFFFAOYSA-N 1 2 343.280 3.742 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2C)c2ccccc2N1Cc1ccccc1 ZINC001169394885 1132746408 /nfs/dbraw/zinc/74/64/08/1132746408.db2.gz AEVCBHWXVUTDAA-QGZVFWFLSA-N 1 2 332.451 3.835 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cncc(N3CCCCC3)c2)c[nH+]1 ZINC001175710890 1132755984 /nfs/dbraw/zinc/75/59/84/1132755984.db2.gz NHIUITQOWQLYMX-UHFFFAOYSA-N 1 2 337.349 3.812 20 0 EHADLO Brc1cc(Nc2cnn(C3CCC3)c2)cn2cc[nH+]c12 ZINC001175759958 1132759162 /nfs/dbraw/zinc/75/91/62/1132759162.db2.gz KSDCOYTXFNGBKS-UHFFFAOYSA-N 1 2 332.205 3.762 20 0 EHADLO CC(C)c1cc(NCCNC(=O)Nc2ccccc2)nc(C(C)C)[nH+]1 ZINC001169429842 1132761966 /nfs/dbraw/zinc/76/19/66/1132761966.db2.gz AQYXGGHSYSKMEZ-UHFFFAOYSA-N 1 2 341.459 3.957 20 0 EHADLO C[C@H](C(=O)OCc1nnc(-c2ccccc2)s1)[NH+]1CCCCCC1 ZINC000766717760 1132766200 /nfs/dbraw/zinc/76/62/00/1132766200.db2.gz IFGQKTLSICGIII-CQSZACIVSA-N 1 2 345.468 3.513 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cnn(-c4ccccc4)c3)c[nH+]2)C[C@H](C)O1 ZINC001175790506 1132768383 /nfs/dbraw/zinc/76/83/83/1132768383.db2.gz BJURSPSGVVVABV-IYBDPMFKSA-N 1 2 349.438 3.625 20 0 EHADLO COC(=O)C1(c2ccc(Nc3[nH+]cccc3N3CCCC3)cc2)CC1 ZINC001175919492 1132797863 /nfs/dbraw/zinc/79/78/63/1132797863.db2.gz LOCPONINNRHMSK-UHFFFAOYSA-N 1 2 337.423 3.630 20 0 EHADLO CCOC(=O)[C@H](CCCC(C)C)NCc1[nH+]cc(C)c(OC)c1C ZINC001176012303 1132819471 /nfs/dbraw/zinc/81/94/71/1132819471.db2.gz YNEFBOWLFIQMOG-INIZCTEOSA-N 1 2 336.476 3.555 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000766793828 1132836103 /nfs/dbraw/zinc/83/61/03/1132836103.db2.gz LNOPCLMAVWNANQ-PKNBQFBNSA-N 1 2 325.195 3.837 20 0 EHADLO c1cn(Cc2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)nc2)c[nH+]1 ZINC001169754599 1132846356 /nfs/dbraw/zinc/84/63/56/1132846356.db2.gz AYQHTUCSHHWJKN-RTBURBONSA-N 1 2 334.423 3.659 20 0 EHADLO COc1cc[nH+]cc1Nc1ccccc1CCNC(=O)OC(C)(C)C ZINC001176124164 1132853210 /nfs/dbraw/zinc/85/32/10/1132853210.db2.gz OGQSLEVIHGBGEM-UHFFFAOYSA-N 1 2 343.427 3.901 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001176122892 1132853687 /nfs/dbraw/zinc/85/36/87/1132853687.db2.gz BJUGVDHRVIAPLJ-UHFFFAOYSA-N 1 2 336.338 3.670 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC001176124830 1132853839 /nfs/dbraw/zinc/85/38/39/1132853839.db2.gz QVUZIUBSPNJWLI-UHFFFAOYSA-N 1 2 325.290 3.811 20 0 EHADLO CCOc1ccc2ccccc2c1OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000766857913 1132873667 /nfs/dbraw/zinc/87/36/67/1132873667.db2.gz SVIZSAXOKKLBJY-OAHLLOKOSA-N 1 2 345.464 3.581 20 0 EHADLO CCOc1ccc2ccccc2c1OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000766857913 1132873675 /nfs/dbraw/zinc/87/36/75/1132873675.db2.gz SVIZSAXOKKLBJY-OAHLLOKOSA-N 1 2 345.464 3.581 20 0 EHADLO CCCOc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1Cl ZINC001176308489 1132910501 /nfs/dbraw/zinc/91/05/01/1132910501.db2.gz RIQYCHCWVHTUPL-HNNXBMFYSA-N 1 2 347.846 3.838 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(F)n1 ZINC000767093377 1132949026 /nfs/dbraw/zinc/94/90/26/1132949026.db2.gz WUTHDLXCUIIHRZ-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(-c4ccncc4)cc3)c[nH+]2)CC1 ZINC001176694112 1132983553 /nfs/dbraw/zinc/98/35/53/1132983553.db2.gz HNUYUXRFSGJGJF-UHFFFAOYSA-N 1 2 346.434 3.848 20 0 EHADLO COc1ccc(-n2nc(C)cc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176742948 1132991140 /nfs/dbraw/zinc/99/11/40/1132991140.db2.gz FKGVFPFGVRIWMQ-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COc1cc(OC)c(F)c(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001176748922 1132991990 /nfs/dbraw/zinc/99/19/90/1132991990.db2.gz JDWJLPDUNBSKKJ-UHFFFAOYSA-N 1 2 335.354 3.721 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)c1nc2ccc(Cl)cc2s1 ZINC000767379104 1132992409 /nfs/dbraw/zinc/99/24/09/1132992409.db2.gz XRMXFJAYOOVAHY-UHFFFAOYSA-N 1 2 342.811 3.874 20 0 EHADLO COc1ccc(Br)nc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749754 1132992450 /nfs/dbraw/zinc/99/24/50/1132992450.db2.gz JGAVCHCYKFVVCC-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO CN(C)c1cc(COC(=O)c2ccc(Cl)c3cccnc23)cc[nH+]1 ZINC000767498621 1133007125 /nfs/dbraw/zinc/00/71/25/1133007125.db2.gz FNNZBWYEXOMLIA-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO O=C(CCn1cc[nH+]c1)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001176883033 1133007343 /nfs/dbraw/zinc/00/73/43/1133007343.db2.gz BRXZHLVMHBLBAO-UHFFFAOYSA-N 1 2 347.409 3.580 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cscc1Cl ZINC001176884998 1133007946 /nfs/dbraw/zinc/00/79/46/1133007946.db2.gz JAGMDSQJNXOGBK-UHFFFAOYSA-N 1 2 331.828 3.828 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)cc2)o1 ZINC000767587851 1133019594 /nfs/dbraw/zinc/01/95/94/1133019594.db2.gz XESHXRMGTUYBOE-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC001177014491 1133021939 /nfs/dbraw/zinc/02/19/39/1133021939.db2.gz ZHKGVXJYADFVHI-GOSISDBHSA-N 1 2 344.455 3.643 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)CCCC2 ZINC000767762183 1133048639 /nfs/dbraw/zinc/04/86/39/1133048639.db2.gz UFEUZZPOZUEXRP-LJQANCHMSA-N 1 2 343.515 3.905 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCC[C@@H]1CCC1CCCCC1)CCCC2 ZINC000767762183 1133048646 /nfs/dbraw/zinc/04/86/46/1133048646.db2.gz UFEUZZPOZUEXRP-LJQANCHMSA-N 1 2 343.515 3.905 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000767770240 1133051244 /nfs/dbraw/zinc/05/12/44/1133051244.db2.gz ICIFYPXUEFXAOL-KVPUOBJLSA-N 1 2 346.525 3.896 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000767770240 1133051247 /nfs/dbraw/zinc/05/12/47/1133051247.db2.gz ICIFYPXUEFXAOL-KVPUOBJLSA-N 1 2 346.525 3.896 20 0 EHADLO CN(CC(=O)Nc1cc(-c2ccc(Cl)s2)on1)c1cccc[nH+]1 ZINC001177409907 1133062865 /nfs/dbraw/zinc/06/28/65/1133062865.db2.gz TTZIHXBOBWFXTE-UHFFFAOYSA-N 1 2 348.815 3.526 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cn2ccc(Br)n2)CC1 ZINC000767975287 1133075751 /nfs/dbraw/zinc/07/57/51/1133075751.db2.gz ZZWOUGYIGHEZEX-UHFFFAOYSA-N 1 2 334.261 3.791 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616426 1133087522 /nfs/dbraw/zinc/08/75/22/1133087522.db2.gz PGUYLSNHJYBRAG-FQEVSTJZSA-N 1 2 347.418 3.945 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616426 1133087526 /nfs/dbraw/zinc/08/75/26/1133087526.db2.gz PGUYLSNHJYBRAG-FQEVSTJZSA-N 1 2 347.418 3.945 20 0 EHADLO CCSc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768148145 1133098122 /nfs/dbraw/zinc/09/81/22/1133098122.db2.gz OOHANDWBWUWURN-CQSZACIVSA-N 1 2 329.469 3.552 20 0 EHADLO CCn1cc(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)nn1 ZINC001177749538 1133099674 /nfs/dbraw/zinc/09/96/74/1133099674.db2.gz YGYDJIAOINNOGK-UHFFFAOYSA-N 1 2 326.375 3.519 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc1 ZINC001177827108 1133100904 /nfs/dbraw/zinc/10/09/04/1133100904.db2.gz APMGKAZRHAPKNJ-UHFFFAOYSA-N 1 2 336.439 3.940 20 0 EHADLO C[C@H](C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1)n1cc[nH+]c1 ZINC001177922914 1133113551 /nfs/dbraw/zinc/11/35/51/1133113551.db2.gz RISAYMOETOEVLI-CQSZACIVSA-N 1 2 335.411 3.536 20 0 EHADLO Cc1cc(C)c(C=CC[NH2+]Cc2n[nH]cc2Br)c(C)c1 ZINC001177918935 1133113965 /nfs/dbraw/zinc/11/39/65/1133113965.db2.gz GOJZDWVNNCORIV-SNAWJCMRSA-N 1 2 334.261 3.900 20 0 EHADLO O=C(Cc1ccccc1-c1cccnc1)NCc1c[nH+]cn1C1CCC1 ZINC001177979967 1133126166 /nfs/dbraw/zinc/12/61/66/1133126166.db2.gz ZZVYPIPAUYNHPY-UHFFFAOYSA-N 1 2 346.434 3.529 20 0 EHADLO CC[C@H](CNc1ccc(N2CCC(CO)CC2)c[nH+]1)c1ccccc1 ZINC001178059730 1133128313 /nfs/dbraw/zinc/12/83/13/1133128313.db2.gz HSPLKJHKBMALIM-GOSISDBHSA-N 1 2 339.483 3.896 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(F)cc1F ZINC001204208370 1133130776 /nfs/dbraw/zinc/13/07/76/1133130776.db2.gz PCLOFGBRYNPHRQ-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(F)cc1F ZINC001204208370 1133130779 /nfs/dbraw/zinc/13/07/79/1133130779.db2.gz PCLOFGBRYNPHRQ-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)no1 ZINC000768430787 1133137951 /nfs/dbraw/zinc/13/79/51/1133137951.db2.gz RTRRLLOQPYMNQN-MRXNPFEDSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccncc3)s2)no1 ZINC000768430787 1133137954 /nfs/dbraw/zinc/13/79/54/1133137954.db2.gz RTRRLLOQPYMNQN-MRXNPFEDSA-N 1 2 326.425 3.839 20 0 EHADLO CN(C)c1nc(C(F)(F)F)ccc1CNc1ccc([NH+](C)C)cc1 ZINC001178122973 1133137958 /nfs/dbraw/zinc/13/79/58/1133137958.db2.gz HYXKIHSUCPHYPR-UHFFFAOYSA-N 1 2 338.377 3.845 20 0 EHADLO CC(C)c1ccnc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001178223930 1133148510 /nfs/dbraw/zinc/14/85/10/1133148510.db2.gz VFRPBLGAMANLJF-UHFFFAOYSA-N 1 2 348.450 3.592 20 0 EHADLO CO[C@](C)(C(=O)Nc1cccc2[nH+]ccn21)c1cccc2ccccc21 ZINC001178674268 1133189804 /nfs/dbraw/zinc/18/98/04/1133189804.db2.gz LYKXBHBNIJQDLJ-NRFANRHFSA-N 1 2 345.402 3.988 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)CC2CCC(C(F)(F)F)CC2)[nH+]1 ZINC001179092424 1133226653 /nfs/dbraw/zinc/22/66/53/1133226653.db2.gz NHOSRHCCNWWGCI-UHFFFAOYSA-N 1 2 331.382 3.908 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)CC2CCC(C(F)(F)F)CC2)c[nH+]1 ZINC001179092424 1133226658 /nfs/dbraw/zinc/22/66/58/1133226658.db2.gz NHOSRHCCNWWGCI-UHFFFAOYSA-N 1 2 331.382 3.908 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cccc(Oc3nccs3)c2)[nH+]1 ZINC001179092452 1133229052 /nfs/dbraw/zinc/22/90/52/1133229052.db2.gz OIHHFFYBJPOUGD-UHFFFAOYSA-N 1 2 342.424 3.712 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cccc(Oc3nccs3)c2)c[nH+]1 ZINC001179092452 1133229057 /nfs/dbraw/zinc/22/90/57/1133229057.db2.gz OIHHFFYBJPOUGD-UHFFFAOYSA-N 1 2 342.424 3.712 20 0 EHADLO COC[C@@H](C)Oc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC001179148876 1133231183 /nfs/dbraw/zinc/23/11/83/1133231183.db2.gz YAQBAAXVSUVKLW-OAHLLOKOSA-N 1 2 326.440 3.986 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cncc2ccccc21 ZINC000769378540 1133272720 /nfs/dbraw/zinc/27/27/20/1133272720.db2.gz DFHZYABRQFXZDJ-OAQYLSRUSA-N 1 2 348.446 3.841 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cncc2ccccc21 ZINC000769378540 1133272723 /nfs/dbraw/zinc/27/27/23/1133272723.db2.gz DFHZYABRQFXZDJ-OAQYLSRUSA-N 1 2 348.446 3.841 20 0 EHADLO Cc1c(CNc2ccc(N(C)C)c[nH+]2)sc2nc(C)nc(C)c12 ZINC000769402376 1133278822 /nfs/dbraw/zinc/27/88/22/1133278822.db2.gz FPVBZCWTANASKD-UHFFFAOYSA-N 1 2 327.457 3.690 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000769393858 1133285224 /nfs/dbraw/zinc/28/52/24/1133285224.db2.gz FCVVHTIOLCOLFF-RCCFBDPRSA-N 1 2 348.368 3.537 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000769393858 1133285230 /nfs/dbraw/zinc/28/52/30/1133285230.db2.gz FCVVHTIOLCOLFF-RCCFBDPRSA-N 1 2 348.368 3.537 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000769393853 1133285502 /nfs/dbraw/zinc/28/55/02/1133285502.db2.gz FCVVHTIOLCOLFF-KSZLIROESA-N 1 2 348.368 3.537 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000769393853 1133285510 /nfs/dbraw/zinc/28/55/10/1133285510.db2.gz FCVVHTIOLCOLFF-KSZLIROESA-N 1 2 348.368 3.537 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1ccccc1I ZINC000769517302 1133307371 /nfs/dbraw/zinc/30/73/71/1133307371.db2.gz TUHHHQHHZCZSJT-UHFFFAOYSA-N 1 2 347.240 3.538 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1ccccc1I ZINC000769517302 1133307374 /nfs/dbraw/zinc/30/73/74/1133307374.db2.gz TUHHHQHHZCZSJT-UHFFFAOYSA-N 1 2 347.240 3.538 20 0 EHADLO COc1cnc(F)c(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001179997021 1133311613 /nfs/dbraw/zinc/31/16/13/1133311613.db2.gz ACFUNKWEKMGLRW-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO COc1cnc(F)c(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001179997021 1133311619 /nfs/dbraw/zinc/31/16/19/1133311619.db2.gz ACFUNKWEKMGLRW-UHFFFAOYSA-N 1 2 328.309 3.880 20 0 EHADLO O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769781378 1133345431 /nfs/dbraw/zinc/34/54/31/1133345431.db2.gz GIVHAEADZHRVJI-WMZOPIPTSA-N 1 2 348.437 3.893 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001180218553 1133345568 /nfs/dbraw/zinc/34/55/68/1133345568.db2.gz CLWNHEDWGSNBRB-NSHDSACASA-N 1 2 340.254 3.932 20 0 EHADLO CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001180218553 1133345575 /nfs/dbraw/zinc/34/55/75/1133345575.db2.gz CLWNHEDWGSNBRB-NSHDSACASA-N 1 2 340.254 3.932 20 0 EHADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000769872982 1133361423 /nfs/dbraw/zinc/36/14/23/1133361423.db2.gz NVMARSMUKYGECV-OAHLLOKOSA-N 1 2 338.455 3.835 20 0 EHADLO CC[NH+](CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccccc1 ZINC001180385399 1133363524 /nfs/dbraw/zinc/36/35/24/1133363524.db2.gz IYEVYNZWABDAEC-UHFFFAOYSA-N 1 2 344.480 3.876 20 0 EHADLO C[C@@H]([NH2+]Cc1occc1Br)[C@H](c1ccccc1)N(C)C ZINC000769930971 1133368665 /nfs/dbraw/zinc/36/86/65/1133368665.db2.gz RKZZAZNHAXZBLF-MLGOLLRUSA-N 1 2 337.261 3.823 20 0 EHADLO Cc1cccc(OCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC001180502785 1133386373 /nfs/dbraw/zinc/38/63/73/1133386373.db2.gz VHIGETSZWCFTRV-UHFFFAOYSA-N 1 2 335.407 3.566 20 0 EHADLO CCc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000770098337 1133386776 /nfs/dbraw/zinc/38/67/76/1133386776.db2.gz FNIIXGIEMBPZOH-KRWDZBQOSA-N 1 2 328.460 3.990 20 0 EHADLO COc1cc(F)cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC001180665712 1133405574 /nfs/dbraw/zinc/40/55/74/1133405574.db2.gz OCASLESRMPJJEA-LJQANCHMSA-N 1 2 329.415 3.668 20 0 EHADLO COc1cc(F)cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC001180665712 1133405577 /nfs/dbraw/zinc/40/55/77/1133405577.db2.gz OCASLESRMPJJEA-LJQANCHMSA-N 1 2 329.415 3.668 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1F ZINC000151272358 1133418741 /nfs/dbraw/zinc/41/87/41/1133418741.db2.gz HSAWKMGYNYVAKL-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(N3CCCC3)sc2=S)CC12CCC2 ZINC000770668743 1133457029 /nfs/dbraw/zinc/45/70/29/1133457029.db2.gz AWOJNPNTVVTICH-CYBMUJFWSA-N 1 2 338.546 3.744 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(N3CCCC3)sc2=S)CC12CCC2 ZINC000770668743 1133457033 /nfs/dbraw/zinc/45/70/33/1133457033.db2.gz AWOJNPNTVVTICH-CYBMUJFWSA-N 1 2 338.546 3.744 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)s1 ZINC001181214692 1133470382 /nfs/dbraw/zinc/47/03/82/1133470382.db2.gz VUHVGJPAKVCTDO-INIZCTEOSA-N 1 2 339.867 3.933 20 0 EHADLO CN(C)c1nc(Cl)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)s1 ZINC001181214692 1133470385 /nfs/dbraw/zinc/47/03/85/1133470385.db2.gz VUHVGJPAKVCTDO-INIZCTEOSA-N 1 2 339.867 3.933 20 0 EHADLO CN(Cc1sc2ccccc2c1Cl)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181258429 1133473288 /nfs/dbraw/zinc/47/32/88/1133473288.db2.gz ZWQOKCIPDIJJSK-UHFFFAOYSA-N 1 2 345.855 3.733 20 0 EHADLO Cc1sc(-c2ccco2)nc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921852 1133484626 /nfs/dbraw/zinc/48/46/26/1133484626.db2.gz HVEDWZQKCFLAIV-UHFFFAOYSA-N 1 2 339.376 3.716 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925735 1133485543 /nfs/dbraw/zinc/48/55/43/1133485543.db2.gz ODZLJJSLNDTGCR-ZDUSSCGKSA-N 1 2 344.411 3.945 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCc2sccc21 ZINC000771295034 1133536159 /nfs/dbraw/zinc/53/61/59/1133536159.db2.gz JTOBDOMMXDVMIM-GOEBONIOSA-N 1 2 331.485 3.596 20 0 EHADLO Cc1c[nH]c(CCNC(=O)CCSc2ccc3ccccc3c2)[nH+]1 ZINC001182159565 1133579830 /nfs/dbraw/zinc/57/98/30/1133579830.db2.gz WFQFEWCGJAQPNR-UHFFFAOYSA-N 1 2 339.464 3.712 20 0 EHADLO Cc1ccc(Nc2ncc(I)cc2F)c(C)[nH+]1 ZINC001203370678 1133589214 /nfs/dbraw/zinc/58/92/14/1133589214.db2.gz SCDJYUPNJGFSPD-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1ccncc1)c1ccccc1Cl ZINC001182218399 1133598174 /nfs/dbraw/zinc/59/81/74/1133598174.db2.gz JAYFGOADAVUMHX-KSSFIOAISA-N 1 2 345.874 3.995 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2cscc2Cl)c(OC)c1 ZINC000771943338 1133618546 /nfs/dbraw/zinc/61/85/46/1133618546.db2.gz KTBLCARLAHUIRV-UHFFFAOYSA-N 1 2 327.833 3.717 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=S)NC(C)(C)CC ZINC000774195002 1133630117 /nfs/dbraw/zinc/63/01/17/1133630117.db2.gz YUWRYXLZFZGHJM-UHFFFAOYSA-N 1 2 348.560 3.683 20 0 EHADLO CN(CCCNc1cc(C(F)(F)F)cc[nH+]1)C(=O)OC(C)(C)C ZINC000774516112 1133695682 /nfs/dbraw/zinc/69/56/82/1133695682.db2.gz PIHDCQQGAPGQEX-UHFFFAOYSA-N 1 2 333.354 3.769 20 0 EHADLO O=C(Cc1c[nH]c2c1cccc2F)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182571095 1133701051 /nfs/dbraw/zinc/70/10/51/1133701051.db2.gz ALPMKVWOMIUCGX-UHFFFAOYSA-N 1 2 348.381 3.733 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780427675 1133706118 /nfs/dbraw/zinc/70/61/18/1133706118.db2.gz OBQBSQMIKIZRIE-YWZLYKJASA-N 1 2 340.492 3.815 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780427675 1133706121 /nfs/dbraw/zinc/70/61/21/1133706121.db2.gz OBQBSQMIKIZRIE-YWZLYKJASA-N 1 2 340.492 3.815 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)OCc1ccccc1 ZINC001182624844 1133707240 /nfs/dbraw/zinc/70/72/40/1133707240.db2.gz HFSBBSBNQLIVOR-RYQLBKOJSA-N 1 2 345.483 3.834 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)cc1O)C1CCC(F)(F)CC1 ZINC001182615663 1133712022 /nfs/dbraw/zinc/71/20/22/1133712022.db2.gz GMEGRUMTFBEOHH-SECBINFHSA-N 1 2 349.219 3.853 20 0 EHADLO Brc1c[nH]nc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001182752984 1133723419 /nfs/dbraw/zinc/72/34/19/1133723419.db2.gz CZEPZQGZIWNTAW-UHFFFAOYSA-N 1 2 326.282 3.965 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000785734582 1133743139 /nfs/dbraw/zinc/74/31/39/1133743139.db2.gz TZLYQNONDAAXGU-GHMZBOCLSA-N 1 2 344.238 3.592 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1ccc(F)cc1 ZINC000785754737 1133748679 /nfs/dbraw/zinc/74/86/79/1133748679.db2.gz QAUBTAJFQJNXRI-UHFFFAOYSA-N 1 2 343.377 3.964 20 0 EHADLO COc1nc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)ccc1C ZINC001182969800 1133751890 /nfs/dbraw/zinc/75/18/90/1133751890.db2.gz KGKVDBVRWLIBOP-AWEZNQCLSA-N 1 2 341.238 3.529 20 0 EHADLO COc1nc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)ccc1C ZINC001182969801 1133752082 /nfs/dbraw/zinc/75/20/82/1133752082.db2.gz KGKVDBVRWLIBOP-CQSZACIVSA-N 1 2 341.238 3.529 20 0 EHADLO COc1cccc(-c2noc(NCc3ccccc3-n3cc[nH+]c3)n2)c1 ZINC000785837400 1133759306 /nfs/dbraw/zinc/75/93/06/1133759306.db2.gz OLSNKIGOKLDRDV-UHFFFAOYSA-N 1 2 347.378 3.543 20 0 EHADLO Cc1ccc(COCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030132 1133759587 /nfs/dbraw/zinc/75/95/87/1133759587.db2.gz MZQQZFUJJUQISO-QGZVFWFLSA-N 1 2 349.434 3.575 20 0 EHADLO CCC[N@H+](CN1C(=O)SC(C)(C)C1=O)[C@H]1CCCc2cccnc21 ZINC000774597850 1133777638 /nfs/dbraw/zinc/77/76/38/1133777638.db2.gz CWDJRXJLDGGYTQ-AWEZNQCLSA-N 1 2 347.484 3.603 20 0 EHADLO CCC[N@@H+](CN1C(=O)SC(C)(C)C1=O)[C@H]1CCCc2cccnc21 ZINC000774597850 1133777642 /nfs/dbraw/zinc/77/76/42/1133777642.db2.gz CWDJRXJLDGGYTQ-AWEZNQCLSA-N 1 2 347.484 3.603 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCCSCc2[nH]c[nH+]c2C)cc1 ZINC001183513017 1133821205 /nfs/dbraw/zinc/82/12/05/1133821205.db2.gz SJGLUTAWCACJAJ-UHFFFAOYSA-N 1 2 345.512 3.608 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)C12CC(C(F)(F)F)(C1)C2 ZINC000786332057 1133838221 /nfs/dbraw/zinc/83/82/21/1133838221.db2.gz NAALKPPJTLQQRY-UHFFFAOYSA-N 1 2 336.313 3.648 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC001183683351 1133840225 /nfs/dbraw/zinc/84/02/25/1133840225.db2.gz BXTCBDNNRLQKMH-MAZHCROVSA-N 1 2 343.364 3.994 20 0 EHADLO CCCc1nc2ccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)cc2o1 ZINC001183750123 1133853292 /nfs/dbraw/zinc/85/32/92/1133853292.db2.gz DQAKIFZSFFDBJT-GOSISDBHSA-N 1 2 349.434 3.993 20 0 EHADLO CCCc1nc2ccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)cc2o1 ZINC001183750123 1133853298 /nfs/dbraw/zinc/85/32/98/1133853298.db2.gz DQAKIFZSFFDBJT-GOSISDBHSA-N 1 2 349.434 3.993 20 0 EHADLO Cc1c(Cl)cccc1N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC001184238314 1133913795 /nfs/dbraw/zinc/91/37/95/1133913795.db2.gz ARUKHSBSKUWDKF-UHFFFAOYSA-N 1 2 331.847 3.836 20 0 EHADLO Cc1cccc(C(C)(C)C)c1NC(=O)N1CCc2[nH+]ccn2CC1 ZINC001184599895 1133963687 /nfs/dbraw/zinc/96/36/87/1133963687.db2.gz JDGBIIPVBGAMGW-UHFFFAOYSA-N 1 2 326.444 3.579 20 0 EHADLO Cc1cccc(C(C)(C)C)c1NC(=O)NCCOc1cc[nH+]cc1 ZINC001184645146 1133971678 /nfs/dbraw/zinc/97/16/78/1133971678.db2.gz LMOYRDZZZLOQPH-UHFFFAOYSA-N 1 2 327.428 3.888 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001184655731 1133973417 /nfs/dbraw/zinc/97/34/17/1133973417.db2.gz RHIVYYMPGQQHPK-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO CCC1(CO)CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000787275804 1133988232 /nfs/dbraw/zinc/98/82/32/1133988232.db2.gz RFWVUOOIFIZWOE-UHFFFAOYSA-N 1 2 336.785 3.738 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000788021014 1134074593 /nfs/dbraw/zinc/07/45/93/1134074593.db2.gz SDYQCSVXQGJTBM-AWEZNQCLSA-N 1 2 334.851 3.906 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000788021014 1134074600 /nfs/dbraw/zinc/07/46/00/1134074600.db2.gz SDYQCSVXQGJTBM-AWEZNQCLSA-N 1 2 334.851 3.906 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(C)cc(Cl)n1)c1ccccc1 ZINC000788100846 1134074919 /nfs/dbraw/zinc/07/49/19/1134074919.db2.gz MIXOBAVXQPNOEP-QGZVFWFLSA-N 1 2 332.831 3.780 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(C)cc(Cl)n1)c1ccccc1 ZINC000788100846 1134074924 /nfs/dbraw/zinc/07/49/24/1134074924.db2.gz MIXOBAVXQPNOEP-QGZVFWFLSA-N 1 2 332.831 3.780 20 0 EHADLO CCCC[C@@H](COC)Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001185429709 1134084075 /nfs/dbraw/zinc/08/40/75/1134084075.db2.gz NMVBINSIWWWEMT-ZDUSSCGKSA-N 1 2 343.406 3.572 20 0 EHADLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1cc2ccccc2s1 ZINC001185463089 1134091885 /nfs/dbraw/zinc/09/18/85/1134091885.db2.gz VKKWPRPJDZEIBK-UHFFFAOYSA-N 1 2 346.477 3.764 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)Nc1cc(C(F)(F)F)ccc1F ZINC001185587321 1134111130 /nfs/dbraw/zinc/11/11/30/1134111130.db2.gz YQTYTLZYNKSWRN-UHFFFAOYSA-N 1 2 339.292 3.794 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788613980 1134151900 /nfs/dbraw/zinc/15/19/00/1134151900.db2.gz YYDLDQDKMSMRNS-IONNQARKSA-N 1 2 342.212 4.000 20 0 EHADLO COc1c2ccccc2oc1C[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000788968812 1134197484 /nfs/dbraw/zinc/19/74/84/1134197484.db2.gz BSZCFAJWWNAYKI-UHFFFAOYSA-N 1 2 340.210 3.772 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(Cl)nc1 ZINC000788973273 1134197899 /nfs/dbraw/zinc/19/78/99/1134197899.db2.gz QQTHSHZXCNHYBA-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C)cc(Br)c2)s1 ZINC000775014586 1134210349 /nfs/dbraw/zinc/21/03/49/1134210349.db2.gz DFRFYNLAFPSPCL-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO C[C@@H](C(=O)OCCCCOC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000789053968 1134221621 /nfs/dbraw/zinc/22/16/21/1134221621.db2.gz JLPCXMKNJRDELO-INIZCTEOSA-N 1 2 333.472 3.572 20 0 EHADLO C[C@@H](C(=O)OCCCCOC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000789053968 1134221629 /nfs/dbraw/zinc/22/16/29/1134221629.db2.gz JLPCXMKNJRDELO-INIZCTEOSA-N 1 2 333.472 3.572 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000789255365 1134243929 /nfs/dbraw/zinc/24/39/29/1134243929.db2.gz RRAXLIKUJIUCAS-IBGZPJMESA-N 1 2 348.402 3.741 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1CC(Oc2ccccc2)C1 ZINC001186858647 1134269912 /nfs/dbraw/zinc/26/99/12/1134269912.db2.gz UGBRWVMMMYWEPK-UHFFFAOYSA-N 1 2 333.391 3.668 20 0 EHADLO CNc1cc(CNc2nc3cc(Br)ccc3o2)cc[nH+]1 ZINC001187686078 1134366776 /nfs/dbraw/zinc/36/67/76/1134366776.db2.gz IWMBGIKFQBCNCR-UHFFFAOYSA-N 1 2 333.189 3.639 20 0 EHADLO C[S@](=O)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000155720883 1134375509 /nfs/dbraw/zinc/37/55/09/1134375509.db2.gz MAAVCQAADNJMRP-UZUQRXQVSA-N 1 2 342.489 3.760 20 0 EHADLO CCc1cc(NCc2ccc(F)nc2Br)nc(CC)[nH+]1 ZINC001187739795 1134378971 /nfs/dbraw/zinc/37/89/71/1134378971.db2.gz JOJQYPNRVWPSHY-UHFFFAOYSA-N 1 2 339.212 3.510 20 0 EHADLO Cc1cc(O)cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001170129984 1134380793 /nfs/dbraw/zinc/38/07/93/1134380793.db2.gz LYPQLNVFDLFYLI-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cc(O)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001170129984 1134380800 /nfs/dbraw/zinc/38/08/00/1134380800.db2.gz LYPQLNVFDLFYLI-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC001203668730 1134386219 /nfs/dbraw/zinc/38/62/19/1134386219.db2.gz YZPQGGPMPHDURT-UHFFFAOYSA-N 1 2 330.331 3.736 20 0 EHADLO Fc1c[nH+]ccc1NCc1nc2ccc(Br)cc2s1 ZINC000775159227 1134419740 /nfs/dbraw/zinc/41/97/40/1134419740.db2.gz ORYWQMZSWGGSDM-UHFFFAOYSA-N 1 2 338.205 3.627 20 0 EHADLO COCC[N@H+](Cn1nc(OC(C)C)sc1=S)[C@H]1CC[C@H](C)C1 ZINC000790480201 1134423776 /nfs/dbraw/zinc/42/37/76/1134423776.db2.gz RFIVVMIIEZHXDV-STQMWFEESA-N 1 2 345.534 3.556 20 0 EHADLO COCC[N@@H+](Cn1nc(OC(C)C)sc1=S)[C@H]1CC[C@H](C)C1 ZINC000790480201 1134423778 /nfs/dbraw/zinc/42/37/78/1134423778.db2.gz RFIVVMIIEZHXDV-STQMWFEESA-N 1 2 345.534 3.556 20 0 EHADLO C[C@H]1CCN(C(=O)OCc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC001188109485 1134428420 /nfs/dbraw/zinc/42/84/20/1134428420.db2.gz KIHBQJCRYXONKL-BBRMVZONSA-N 1 2 333.819 3.756 20 0 EHADLO Cc1[nH]ccc1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001188161722 1134434693 /nfs/dbraw/zinc/43/46/93/1134434693.db2.gz COEOOFUVLKZYPU-OAHLLOKOSA-N 1 2 340.254 3.663 20 0 EHADLO COc1ccc(OC)c(NC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001188340915 1134453453 /nfs/dbraw/zinc/45/34/53/1134453453.db2.gz HDKNYJWEOHJXBO-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000790775026 1134463990 /nfs/dbraw/zinc/46/39/90/1134463990.db2.gz VQDZLMAAWZRLLK-VQIMIIECSA-N 1 2 325.456 3.805 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]cn2CC2CCC2)cc1Cl ZINC001188492162 1134472745 /nfs/dbraw/zinc/47/27/45/1134472745.db2.gz GHBZOPBXVVTPGA-UHFFFAOYSA-N 1 2 348.834 3.667 20 0 EHADLO COc1ccc(NC(=O)NCc2c[nH+]cn2C2CCC2)cc1Cl ZINC001188491997 1134472776 /nfs/dbraw/zinc/47/27/76/1134472776.db2.gz CGLDAFXTFPHIPF-UHFFFAOYSA-N 1 2 334.807 3.592 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2cc[nH]n2)c1 ZINC001188988092 1134529437 /nfs/dbraw/zinc/52/94/37/1134529437.db2.gz FNWOJIDHWFJGFS-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c(F)ccc(F)c1F ZINC000791453824 1134554553 /nfs/dbraw/zinc/55/45/53/1134554553.db2.gz HOCOYGBQKKEYQQ-UHFFFAOYSA-N 1 2 346.308 3.955 20 0 EHADLO CCSCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000791428608 1134557185 /nfs/dbraw/zinc/55/71/85/1134557185.db2.gz YTHKZFKXQZBVQT-UHFFFAOYSA-N 1 2 334.514 3.666 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000076900025 1134600428 /nfs/dbraw/zinc/60/04/28/1134600428.db2.gz OFXZLQJYEIRLAB-MDZRGWNJSA-N 1 2 335.451 3.663 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccco2)C1 ZINC001203285780 1134626763 /nfs/dbraw/zinc/62/67/63/1134626763.db2.gz UCGXPBFCXHDRRW-NEPJUHHUSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccco2)C1 ZINC001203285780 1134626766 /nfs/dbraw/zinc/62/67/66/1134626766.db2.gz UCGXPBFCXHDRRW-NEPJUHHUSA-N 1 2 348.365 3.557 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001189967595 1134637635 /nfs/dbraw/zinc/63/76/35/1134637635.db2.gz QZUGIYOLZILYPV-UHFFFAOYSA-N 1 2 337.414 3.505 20 0 EHADLO CC(C)C[C@H](NC(=O)c1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC001190105968 1134656533 /nfs/dbraw/zinc/65/65/33/1134656533.db2.gz BXIYHWMBMQCJBC-SFHVURJKSA-N 1 2 334.423 3.785 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)c1ccccc1-n1cc[nH+]c1 ZINC001190105989 1134656740 /nfs/dbraw/zinc/65/67/40/1134656740.db2.gz CQXFXKSRFTZUJG-LJQANCHMSA-N 1 2 335.382 3.893 20 0 EHADLO O=C(NCc1ccc(Cl)cc1Cl)Nc1cc[nH+]c2c1CCC2 ZINC001190069926 1134657367 /nfs/dbraw/zinc/65/73/67/1134657367.db2.gz ROUOTCFSFJIAPJ-UHFFFAOYSA-N 1 2 336.222 3.621 20 0 EHADLO Cc1nc(Cl)c(NC(=O)c2ccccc2-n2cc[nH+]c2)c(Cl)n1 ZINC001190075382 1134658163 /nfs/dbraw/zinc/65/81/63/1134658163.db2.gz RFHLHPIEYVUCRC-UHFFFAOYSA-N 1 2 348.193 3.530 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000792361532 1134681340 /nfs/dbraw/zinc/68/13/40/1134681340.db2.gz DJIUAUSAVMMSSR-GOSISDBHSA-N 1 2 339.464 3.827 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000792361532 1134681344 /nfs/dbraw/zinc/68/13/44/1134681344.db2.gz DJIUAUSAVMMSSR-GOSISDBHSA-N 1 2 339.464 3.827 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000792361533 1134681586 /nfs/dbraw/zinc/68/15/86/1134681586.db2.gz DJIUAUSAVMMSSR-SFHVURJKSA-N 1 2 339.464 3.827 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000792361533 1134681588 /nfs/dbraw/zinc/68/15/88/1134681588.db2.gz DJIUAUSAVMMSSR-SFHVURJKSA-N 1 2 339.464 3.827 20 0 EHADLO CC[C@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC001170184957 1134701563 /nfs/dbraw/zinc/70/15/63/1134701563.db2.gz YUWJSIQLAWPRFY-FHWLQOOXSA-N 1 2 347.499 3.877 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C\C(=O)N2CCc3cc[nH+]c(N)c3C2)C1(C)C ZINC001170267421 1134728166 /nfs/dbraw/zinc/72/81/66/1134728166.db2.gz AMONZVGESDPMOQ-PJUCLDAGSA-N 1 2 327.472 3.567 20 0 EHADLO C[N@H+](CCc1ccc(Br)cc1)Cc1c(F)cncc1F ZINC001190925604 1134765000 /nfs/dbraw/zinc/76/50/00/1134765000.db2.gz UGVQOBGMIIFQJT-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1ccc(Br)cc1)Cc1c(F)cncc1F ZINC001190925604 1134765007 /nfs/dbraw/zinc/76/50/07/1134765007.db2.gz UGVQOBGMIIFQJT-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)sn1 ZINC001190923063 1134765478 /nfs/dbraw/zinc/76/54/78/1134765478.db2.gz BDYXYQJJVDJAEU-ZDUSSCGKSA-N 1 2 337.439 3.609 20 0 EHADLO COc1ccc2c(c1)C[C@H](Nc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC001170415113 1134774046 /nfs/dbraw/zinc/77/40/46/1134774046.db2.gz XBCKVVQMHLEWRW-HXUWFJFHSA-N 1 2 333.435 3.909 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](Cc1nnn(C(C)(C)C)n1)CC1CCC1 ZINC001191121276 1134797187 /nfs/dbraw/zinc/79/71/87/1134797187.db2.gz JJPHNPWHIZMAPX-OAHLLOKOSA-N 1 2 327.476 3.791 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](Cc1nnn(C(C)(C)C)n1)CC1CCC1 ZINC001191121276 1134797192 /nfs/dbraw/zinc/79/71/92/1134797192.db2.gz JJPHNPWHIZMAPX-OAHLLOKOSA-N 1 2 327.476 3.791 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1 ZINC000792905135 1134818917 /nfs/dbraw/zinc/81/89/17/1134818917.db2.gz HTMIMIFRMVIXFP-WDMOLILDSA-N 1 2 332.275 3.989 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1 ZINC000792905135 1134818926 /nfs/dbraw/zinc/81/89/26/1134818926.db2.gz HTMIMIFRMVIXFP-WDMOLILDSA-N 1 2 332.275 3.989 20 0 EHADLO CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccc(C)cc1 ZINC000793007833 1134838647 /nfs/dbraw/zinc/83/86/47/1134838647.db2.gz BURDGAZGJFSCER-UHFFFAOYSA-N 1 2 343.377 3.984 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCCOC[C@@H]3C)c2=S)c1 ZINC000772826973 1134858578 /nfs/dbraw/zinc/85/85/78/1134858578.db2.gz UPRNTYCYMGTBEO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCCOC[C@@H]3C)c2=S)c1 ZINC000772826973 1134858585 /nfs/dbraw/zinc/85/85/85/1134858585.db2.gz UPRNTYCYMGTBEO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)Cc1ccccc1 ZINC000793136689 1134860193 /nfs/dbraw/zinc/86/01/93/1134860193.db2.gz HMEAJIVMYZCDQB-UHFFFAOYSA-N 1 2 345.324 3.828 20 0 EHADLO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473140 1134869112 /nfs/dbraw/zinc/86/91/12/1134869112.db2.gz CRCLMPLXRWJHLB-YJBOKZPZSA-N 1 2 333.472 3.914 20 0 EHADLO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473140 1134869117 /nfs/dbraw/zinc/86/91/17/1134869117.db2.gz CRCLMPLXRWJHLB-YJBOKZPZSA-N 1 2 333.472 3.914 20 0 EHADLO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C)c(Br)cn1 ZINC001191475987 1134870622 /nfs/dbraw/zinc/87/06/22/1134870622.db2.gz QPFGBGUGASGDOF-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)c(Br)cn1 ZINC001191475987 1134870628 /nfs/dbraw/zinc/87/06/28/1134870628.db2.gz QPFGBGUGASGDOF-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO CC(C)CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001191495387 1134873823 /nfs/dbraw/zinc/87/38/23/1134873823.db2.gz KYCWEMMAIWRHCR-QGZVFWFLSA-N 1 2 336.426 3.828 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000793239110 1134886424 /nfs/dbraw/zinc/88/64/24/1134886424.db2.gz TUYHBDLMNXIYCQ-HXUWFJFHSA-N 1 2 348.446 3.922 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000793250622 1134888837 /nfs/dbraw/zinc/88/88/37/1134888837.db2.gz AOTARFAOZQOYAJ-GJZGRUSLSA-N 1 2 339.222 3.616 20 0 EHADLO C[C@@H]1C[N@H+](CCc2ccccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001191616502 1134890562 /nfs/dbraw/zinc/89/05/62/1134890562.db2.gz BUWSEATVWJWBNR-CQSZACIVSA-N 1 2 338.879 3.824 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2ccccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001191616502 1134890567 /nfs/dbraw/zinc/89/05/67/1134890567.db2.gz BUWSEATVWJWBNR-CQSZACIVSA-N 1 2 338.879 3.824 20 0 EHADLO CO[C@H](C[NH2+]C1(C(=O)OC(C)(C)C)CCCC1)C1CCCCC1 ZINC001191764689 1134910981 /nfs/dbraw/zinc/91/09/81/1134910981.db2.gz VHNAIMBTUCWAKN-MRXNPFEDSA-N 1 2 325.493 3.826 20 0 EHADLO Cc1ccc2cc(C[N@H+](CCO)Cc3cccnc3Cl)ccc2n1 ZINC000793365596 1134912367 /nfs/dbraw/zinc/91/23/67/1134912367.db2.gz IYSBRNQEZITGTB-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO Cc1ccc2cc(C[N@@H+](CCO)Cc3cccnc3Cl)ccc2n1 ZINC000793365596 1134912372 /nfs/dbraw/zinc/91/23/72/1134912372.db2.gz IYSBRNQEZITGTB-UHFFFAOYSA-N 1 2 341.842 3.586 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1coc(C2CC2)n1 ZINC000793392152 1134923136 /nfs/dbraw/zinc/92/31/36/1134923136.db2.gz YFPATJGUEDPZTH-UHFFFAOYSA-N 1 2 349.390 3.971 20 0 EHADLO Cc1ccc(COc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)cc1 ZINC000793477022 1134937932 /nfs/dbraw/zinc/93/79/32/1134937932.db2.gz HZVWNBIJSVPQLI-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1ccc(COc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)cc1 ZINC000793477022 1134937940 /nfs/dbraw/zinc/93/79/40/1134937940.db2.gz HZVWNBIJSVPQLI-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1cc([C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n(C)n1 ZINC000793551096 1134954723 /nfs/dbraw/zinc/95/47/23/1134954723.db2.gz WXEPKKMKUBFRBW-OAHLLOKOSA-N 1 2 333.439 3.817 20 0 EHADLO CC[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@@H]1CCCO1 ZINC000793583234 1134962225 /nfs/dbraw/zinc/96/22/25/1134962225.db2.gz CBEDQZNMMJCWJY-KRWDZBQOSA-N 1 2 333.863 3.586 20 0 EHADLO CC[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@@H]1CCCO1 ZINC000793583234 1134962235 /nfs/dbraw/zinc/96/22/35/1134962235.db2.gz CBEDQZNMMJCWJY-KRWDZBQOSA-N 1 2 333.863 3.586 20 0 EHADLO Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc[nH+]c(C)c3)cc2)cc1 ZINC001192065997 1134963448 /nfs/dbraw/zinc/96/34/48/1134963448.db2.gz YJPWDERKPPWZQS-UHFFFAOYSA-N 1 2 338.432 3.588 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)CCC2 ZINC000793593579 1134965999 /nfs/dbraw/zinc/96/59/99/1134965999.db2.gz XRRYXFGGXMWPCT-MRXNPFEDSA-N 1 2 327.476 3.719 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[NH+]1CCC(C2CC2)CC1 ZINC000793630768 1134975370 /nfs/dbraw/zinc/97/53/70/1134975370.db2.gz JERTXFRBSLESCU-UHFFFAOYSA-N 1 2 342.439 3.513 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC001192197297 1134977681 /nfs/dbraw/zinc/97/76/81/1134977681.db2.gz DYMXNFOOMGMZGQ-HNAYVOBHSA-N 1 2 349.471 3.676 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001192197297 1134977690 /nfs/dbraw/zinc/97/76/90/1134977690.db2.gz DYMXNFOOMGMZGQ-HNAYVOBHSA-N 1 2 349.471 3.676 20 0 EHADLO Cc1nonc1C[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC000775536964 1135033012 /nfs/dbraw/zinc/03/30/12/1135033012.db2.gz SBYBRHXHCMGMAR-LJQANCHMSA-N 1 2 337.423 3.905 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1OC(F)F ZINC001192744885 1135049092 /nfs/dbraw/zinc/04/90/92/1135049092.db2.gz JNBSFPMEEXBGCC-NSHDSACASA-N 1 2 345.349 3.788 20 0 EHADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000775564065 1135098645 /nfs/dbraw/zinc/09/86/45/1135098645.db2.gz ZMZHOEHZFXMTIO-SNVBAGLBSA-N 1 2 332.835 3.936 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(OCc3ccncc3)cc2)c[nH+]1 ZINC001129841333 1135168995 /nfs/dbraw/zinc/16/89/95/1135168995.db2.gz DFRBPXARWKDISB-UHFFFAOYSA-N 1 2 347.418 3.602 20 0 EHADLO COc1ccc2cc(C(=O)NCc3cc(C)[nH+]c(C)c3)sc2c1 ZINC001129857956 1135173193 /nfs/dbraw/zinc/17/31/93/1135173193.db2.gz GOTZANXVFJSGIZ-UHFFFAOYSA-N 1 2 326.421 3.852 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cc(CO)ccc2F)c2ccccn2)cc1 ZINC001194052346 1135222132 /nfs/dbraw/zinc/22/21/32/1135222132.db2.gz UQFRTBOFGFJTHN-NRFANRHFSA-N 1 2 336.410 3.901 20 0 EHADLO CC(=O)c1ccsc1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194887263 1135343022 /nfs/dbraw/zinc/34/30/22/1135343022.db2.gz MQEHBCDGAFTPDC-UHFFFAOYSA-N 1 2 325.393 3.604 20 0 EHADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001195054606 1135360081 /nfs/dbraw/zinc/36/00/81/1135360081.db2.gz GNBCSQJZLQKUOV-UHFFFAOYSA-N 1 2 345.345 3.769 20 0 EHADLO CC(=O)c1ccc2c(c1)C[N@H+](CCc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001195054606 1135360086 /nfs/dbraw/zinc/36/00/86/1135360086.db2.gz GNBCSQJZLQKUOV-UHFFFAOYSA-N 1 2 345.345 3.769 20 0 EHADLO CC[C@H](C)OC(=O)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001195152650 1135382041 /nfs/dbraw/zinc/38/20/41/1135382041.db2.gz WKOFJFFWFVJOPZ-NSHDSACASA-N 1 2 344.377 3.593 20 0 EHADLO CC[C@H]1C[NH+](CCOc2ccccc2Br)C[C@H](CC)O1 ZINC001195300367 1135409000 /nfs/dbraw/zinc/40/90/00/1135409000.db2.gz UQVHSGASAIFOJG-KBPBESRZSA-N 1 2 342.277 3.717 20 0 EHADLO COc1ccc(NC(=S)Nc2cccn3c(C)c(C)[nH+]c23)cc1 ZINC001195676927 1135449871 /nfs/dbraw/zinc/44/98/71/1135449871.db2.gz WPKRAGPNMISMMK-UHFFFAOYSA-N 1 2 326.425 3.769 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3ccccc3S(=O)(=O)N(C)C)ccc12 ZINC001195689168 1135451378 /nfs/dbraw/zinc/45/13/78/1135451378.db2.gz LQOYZSWLQMPJPJ-UHFFFAOYSA-N 1 2 341.436 3.537 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000806549897 1135452485 /nfs/dbraw/zinc/45/24/85/1135452485.db2.gz BIUCLVCKNRNXHA-UHFFFAOYSA-N 1 2 346.434 3.761 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)[C@H](C)CO1 ZINC001195747622 1135466500 /nfs/dbraw/zinc/46/65/00/1135466500.db2.gz FUXAIUGWFPEDHB-APWZRJJASA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)[C@H](C)CO1 ZINC001195747622 1135466501 /nfs/dbraw/zinc/46/65/01/1135466501.db2.gz FUXAIUGWFPEDHB-APWZRJJASA-N 1 2 326.440 3.660 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3cc(F)ccc3C)c[nH+]c12 ZINC001195922474 1135490887 /nfs/dbraw/zinc/49/08/87/1135490887.db2.gz IFPHGHYUZVNIMB-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO Cc1ccc(COc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)cc1 ZINC000806836804 1135497698 /nfs/dbraw/zinc/49/76/98/1135497698.db2.gz UNDDGVUUMOVTHF-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(Cl)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196057673 1135509208 /nfs/dbraw/zinc/50/92/08/1135509208.db2.gz SCLFOUOOCIWWOX-LBPRGKRZSA-N 1 2 327.852 3.901 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196057673 1135509213 /nfs/dbraw/zinc/50/92/13/1135509213.db2.gz SCLFOUOOCIWWOX-LBPRGKRZSA-N 1 2 327.852 3.901 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000747368200 1135511491 /nfs/dbraw/zinc/51/14/91/1135511491.db2.gz BMEACRGQPICOIN-VGOKWCNXSA-N 1 2 329.419 3.657 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC001196158224 1135525352 /nfs/dbraw/zinc/52/53/52/1135525352.db2.gz FJRKITFOAMOVAL-CHWSQXEVSA-N 1 2 342.302 3.826 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC001196158224 1135525359 /nfs/dbraw/zinc/52/53/59/1135525359.db2.gz FJRKITFOAMOVAL-CHWSQXEVSA-N 1 2 342.302 3.826 20 0 EHADLO CC(=O)c1ccc(NC(=S)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001196519143 1135573405 /nfs/dbraw/zinc/57/34/05/1135573405.db2.gz FGYMVBLGULEIGR-UHFFFAOYSA-N 1 2 336.420 3.884 20 0 EHADLO FC(F)(F)[C@H]1CC=C(Nc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001196768540 1135604325 /nfs/dbraw/zinc/60/43/25/1135604325.db2.gz RUZZTAKEPQMZGK-LBPRGKRZSA-N 1 2 327.350 3.576 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CCCSC ZINC001196748212 1135607636 /nfs/dbraw/zinc/60/76/36/1135607636.db2.gz XCAQESYMFBJEQU-SFHVURJKSA-N 1 2 331.481 3.657 20 0 EHADLO Cc1cc(NC[C@H](O)c2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH+]1 ZINC000808071977 1135611935 /nfs/dbraw/zinc/61/19/35/1135611935.db2.gz QUIVFZUGCWEEMW-AWEZNQCLSA-N 1 2 337.345 3.827 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000808136975 1135621946 /nfs/dbraw/zinc/62/19/46/1135621946.db2.gz SLTXLFLVGZXLIW-KRWDZBQOSA-N 1 2 346.521 3.973 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000808136975 1135621948 /nfs/dbraw/zinc/62/19/48/1135621948.db2.gz SLTXLFLVGZXLIW-KRWDZBQOSA-N 1 2 346.521 3.973 20 0 EHADLO O=C1N(C[N@@H+](Cc2cccc(F)c2)C2CC2)CCN1c1ccccc1 ZINC000808144009 1135623164 /nfs/dbraw/zinc/62/31/64/1135623164.db2.gz BIXBFFCAKMUZCU-UHFFFAOYSA-N 1 2 339.414 3.690 20 0 EHADLO O=C1N(C[N@H+](Cc2cccc(F)c2)C2CC2)CCN1c1ccccc1 ZINC000808144009 1135623165 /nfs/dbraw/zinc/62/31/65/1135623165.db2.gz BIXBFFCAKMUZCU-UHFFFAOYSA-N 1 2 339.414 3.690 20 0 EHADLO Fc1ccc(NC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001196941958 1135632038 /nfs/dbraw/zinc/63/20/38/1135632038.db2.gz COAFZWSDQJOOKX-UHFFFAOYSA-N 1 2 326.400 3.879 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CCC[C@@H](C4CC4)C3)[nH]2)cc1 ZINC000808227919 1135633038 /nfs/dbraw/zinc/63/30/38/1135633038.db2.gz PFYIXQJBTKILDK-OAHLLOKOSA-N 1 2 344.484 3.696 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CCC[C@@H](C4CC4)C3)[nH]2)cc1 ZINC000808227919 1135633041 /nfs/dbraw/zinc/63/30/41/1135633041.db2.gz PFYIXQJBTKILDK-OAHLLOKOSA-N 1 2 344.484 3.696 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(=S)o1 ZINC000808231045 1135634015 /nfs/dbraw/zinc/63/40/15/1135634015.db2.gz WQRDXALGLMTPNK-CQSZACIVSA-N 1 2 345.468 3.961 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c(=S)o1 ZINC000808231045 1135634016 /nfs/dbraw/zinc/63/40/16/1135634016.db2.gz WQRDXALGLMTPNK-CQSZACIVSA-N 1 2 345.468 3.961 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1-c1ccccc1 ZINC000808230513 1135638655 /nfs/dbraw/zinc/63/86/55/1135638655.db2.gz JNXIEFRBNYYMNR-MRXNPFEDSA-N 1 2 328.485 3.791 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c(=S)n1-c1ccccc1 ZINC000808230513 1135638659 /nfs/dbraw/zinc/63/86/59/1135638659.db2.gz JNXIEFRBNYYMNR-MRXNPFEDSA-N 1 2 328.485 3.791 20 0 EHADLO CC(C)(C)c1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc(Cl)n1 ZINC001131309259 1135671322 /nfs/dbraw/zinc/67/13/22/1135671322.db2.gz ILVMGBNZHYMXNH-UHFFFAOYSA-N 1 2 328.803 3.933 20 0 EHADLO Cc1cnc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC001197287309 1135673690 /nfs/dbraw/zinc/67/36/90/1135673690.db2.gz PRBCRDUSBZDERI-UHFFFAOYSA-N 1 2 340.814 3.501 20 0 EHADLO Cc1cc(NC(=S)Nc2ccccc2OC(F)(F)F)cc[nH+]1 ZINC001198129545 1135774493 /nfs/dbraw/zinc/77/44/93/1135774493.db2.gz IKWMKTQYVLFJCP-UHFFFAOYSA-N 1 2 327.331 3.519 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001198165907 1135781157 /nfs/dbraw/zinc/78/11/57/1135781157.db2.gz VPBVEJSDOWFMCT-SNVBAGLBSA-N 1 2 326.202 3.912 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001198165907 1135781161 /nfs/dbraw/zinc/78/11/61/1135781161.db2.gz VPBVEJSDOWFMCT-SNVBAGLBSA-N 1 2 326.202 3.912 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809720804 1135878456 /nfs/dbraw/zinc/87/84/56/1135878456.db2.gz NITXZAQVWWPTKE-AWEZNQCLSA-N 1 2 339.505 3.756 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809720804 1135878459 /nfs/dbraw/zinc/87/84/59/1135878459.db2.gz NITXZAQVWWPTKE-AWEZNQCLSA-N 1 2 339.505 3.756 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000809779454 1135889470 /nfs/dbraw/zinc/88/94/70/1135889470.db2.gz OJWUKMUDQZRDBY-CQSZACIVSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000809779454 1135889472 /nfs/dbraw/zinc/88/94/72/1135889472.db2.gz OJWUKMUDQZRDBY-CQSZACIVSA-N 1 2 348.340 3.555 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)o1 ZINC000810078700 1135918742 /nfs/dbraw/zinc/91/87/42/1135918742.db2.gz BXDQGKVYGZPCFY-QGZVFWFLSA-N 1 2 341.455 3.551 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129492 1135925115 /nfs/dbraw/zinc/92/51/15/1135925115.db2.gz GGYVQMGOBSCOGQ-CQSZACIVSA-N 1 2 327.428 3.605 20 0 EHADLO O=c1[nH]c2cccc(C[NH2+]Cc3coc(-c4cccs4)n3)c2o1 ZINC001199777926 1135928415 /nfs/dbraw/zinc/92/84/15/1135928415.db2.gz YWQHRNNBWZAGBA-UHFFFAOYSA-N 1 2 327.365 3.540 20 0 EHADLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1 ZINC000810550812 1135971453 /nfs/dbraw/zinc/97/14/53/1135971453.db2.gz DYNOHAHUDGQPLL-HNNXBMFYSA-N 1 2 338.382 3.917 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ncsc2C(C)C)[nH+]1 ZINC000810583018 1135978484 /nfs/dbraw/zinc/97/84/84/1135978484.db2.gz KZCRDMUFLVJFFO-UHFFFAOYSA-N 1 2 348.468 3.776 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc2cc(Cl)sc2[nH]1 ZINC000810635373 1135987266 /nfs/dbraw/zinc/98/72/66/1135987266.db2.gz VYXICUOQIYMDTM-UHFFFAOYSA-N 1 2 331.784 3.888 20 0 EHADLO Cc1cc(F)ccc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810670171 1135991506 /nfs/dbraw/zinc/99/15/06/1135991506.db2.gz ASTGBPBBROLMLV-UHFFFAOYSA-N 1 2 338.382 3.665 20 0 EHADLO COc1ccc(Nc2ccc(N)[nH+]c2)c(NC(=O)OC(C)(C)C)c1 ZINC001201291159 1136001536 /nfs/dbraw/zinc/00/15/36/1136001536.db2.gz CJZJRCHCNACWAF-UHFFFAOYSA-N 1 2 330.388 3.763 20 0 EHADLO Nc1ccc(Nc2ccc(Br)c(Br)c2)c[nH+]1 ZINC001201292622 1136001647 /nfs/dbraw/zinc/00/16/47/1136001647.db2.gz QLYCNZHQOPYDET-UHFFFAOYSA-N 1 2 343.022 3.932 20 0 EHADLO Cc1ccnc(NC(=O)c2ccc(C)c(Nc3ccc(N)[nH+]c3)c2)c1 ZINC001201292050 1136001784 /nfs/dbraw/zinc/00/17/84/1136001784.db2.gz IBADDVJMLVXMFW-UHFFFAOYSA-N 1 2 333.395 3.672 20 0 EHADLO C[N@@H+](CCc1ccncc1)C/C(Br)=C/c1ccccc1 ZINC001201456643 1136022420 /nfs/dbraw/zinc/02/24/20/1136022420.db2.gz WBJUXVCLPLLLPB-LGMDPLHJSA-N 1 2 331.257 3.992 20 0 EHADLO C[N@H+](CCc1ccncc1)C/C(Br)=C/c1ccccc1 ZINC001201456643 1136022416 /nfs/dbraw/zinc/02/24/16/1136022416.db2.gz WBJUXVCLPLLLPB-LGMDPLHJSA-N 1 2 331.257 3.992 20 0 EHADLO Cc1nc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@H]3C)cs1 ZINC001201435825 1136024772 /nfs/dbraw/zinc/02/47/72/1136024772.db2.gz XFFFVUHBKWQXOE-ZDUSSCGKSA-N 1 2 348.516 3.788 20 0 EHADLO Cc1nc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@H]3C)cs1 ZINC001201435825 1136024775 /nfs/dbraw/zinc/02/47/75/1136024775.db2.gz XFFFVUHBKWQXOE-ZDUSSCGKSA-N 1 2 348.516 3.788 20 0 EHADLO COc1cccc(-c2csc(C[NH2+]Cc3cccc(F)n3)n2)c1 ZINC001201557928 1136040222 /nfs/dbraw/zinc/04/02/22/1136040222.db2.gz PCKKSLGIFYLDEN-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2sc(C(C)C)nc2C)c1C ZINC000747670568 1136043362 /nfs/dbraw/zinc/04/33/62/1136043362.db2.gz BTLRXQBVJQCKAT-UHFFFAOYSA-N 1 2 333.457 3.525 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1ccccc1Cl ZINC001202069853 1136088964 /nfs/dbraw/zinc/08/89/64/1136088964.db2.gz QCNWBPVQIJOEKZ-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1ccc(F)cc1F ZINC001202031354 1136089233 /nfs/dbraw/zinc/08/92/33/1136089233.db2.gz KMQYZKGOOPLIJY-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1ccc(Cl)cc1Cl ZINC001202091188 1136093429 /nfs/dbraw/zinc/09/34/29/1136093429.db2.gz RONJTYWBTUDCED-NSHDSACASA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1ccc(Cl)cc1Cl ZINC001202091188 1136093431 /nfs/dbraw/zinc/09/34/31/1136093431.db2.gz RONJTYWBTUDCED-NSHDSACASA-N 1 2 334.222 3.549 20 0 EHADLO Brc1ccoc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518278 1136098385 /nfs/dbraw/zinc/09/83/85/1136098385.db2.gz ITJBBDRCCFEMLD-TZMCWYRMSA-N 1 2 326.234 3.576 20 0 EHADLO Brc1ccoc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518278 1136098389 /nfs/dbraw/zinc/09/83/89/1136098389.db2.gz ITJBBDRCCFEMLD-TZMCWYRMSA-N 1 2 326.234 3.576 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001202205438 1136110660 /nfs/dbraw/zinc/11/06/60/1136110660.db2.gz BZBQUEZLSSSIQT-QGZVFWFLSA-N 1 2 325.412 3.774 20 0 EHADLO O=C(Nc1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202247553 1136119792 /nfs/dbraw/zinc/11/97/92/1136119792.db2.gz LNWXFYIHKRVHQT-CQSZACIVSA-N 1 2 343.805 3.677 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1ccc(Br)cc1 ZINC001202341157 1136126450 /nfs/dbraw/zinc/12/64/50/1136126450.db2.gz NRYWBPPCZAGEFY-UHFFFAOYSA-N 1 2 349.232 3.692 20 0 EHADLO FC(F)(F)CCN1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001202367599 1136134670 /nfs/dbraw/zinc/13/46/70/1136134670.db2.gz APHGDSCZHOUHOX-ZDUSSCGKSA-N 1 2 340.311 3.688 20 0 EHADLO FC(F)(F)CCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001202367599 1136134673 /nfs/dbraw/zinc/13/46/73/1136134673.db2.gz APHGDSCZHOUHOX-ZDUSSCGKSA-N 1 2 340.311 3.688 20 0 EHADLO Cc1nc2sn(C[NH+]3CCC(C)(C4CC4)CC3)c(=O)c2c(C)c1C ZINC000811784974 1136140197 /nfs/dbraw/zinc/14/01/97/1136140197.db2.gz QFUXJSUYLLDUAL-UHFFFAOYSA-N 1 2 345.512 3.853 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(Br)s1 ZINC001137647232 1136149817 /nfs/dbraw/zinc/14/98/17/1136149817.db2.gz JTJPIQXKPGMUNW-CABZTGNLSA-N 1 2 334.279 3.530 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(Br)s1 ZINC001137647232 1136149819 /nfs/dbraw/zinc/14/98/19/1136149819.db2.gz JTJPIQXKPGMUNW-CABZTGNLSA-N 1 2 334.279 3.530 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C[C@H]2CCC[C@H](C)C2)OC)c1C ZINC000812017739 1136164249 /nfs/dbraw/zinc/16/42/49/1136164249.db2.gz JYXLQFFILBQCKP-BBRMVZONSA-N 1 2 349.475 3.606 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C ZINC001170660236 1136172431 /nfs/dbraw/zinc/17/24/31/1136172431.db2.gz VJWVHRWETJGCEM-WMLDXEAASA-N 1 2 339.426 3.778 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@H+](C)C[C@@H]3CCCOC3)c(=S)o2)c1 ZINC000107669878 1136175486 /nfs/dbraw/zinc/17/54/86/1136175486.db2.gz QHRDBPMGUKLIBK-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@@H+](C)C[C@@H]3CCCOC3)c(=S)o2)c1 ZINC000107669878 1136175488 /nfs/dbraw/zinc/17/54/88/1136175488.db2.gz QHRDBPMGUKLIBK-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO CCSc1ccccc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747771133 1136180366 /nfs/dbraw/zinc/18/03/66/1136180366.db2.gz UQAMZBSCINXNCA-UHFFFAOYSA-N 1 2 330.453 3.749 20 0 EHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccc(F)cc1 ZINC001133232868 1136192492 /nfs/dbraw/zinc/19/24/92/1136192492.db2.gz FLUITFNFEKNGMU-UHFFFAOYSA-N 1 2 349.409 3.657 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCn2c(cc3ccccc32)C1 ZINC000812487573 1136216783 /nfs/dbraw/zinc/21/67/83/1136216783.db2.gz QISNUXROZJAOEE-UHFFFAOYSA-N 1 2 346.438 3.556 20 0 EHADLO COc1cncc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000850208661 1136220806 /nfs/dbraw/zinc/22/08/06/1136220806.db2.gz XGKFKPFHQIPCBY-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850474250 1136266513 /nfs/dbraw/zinc/26/65/13/1136266513.db2.gz KTTIRHFWRWDBGZ-NEPJUHHUSA-N 1 2 346.452 3.667 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)nnn1-c1ccc(C)cc1 ZINC000850530172 1136279398 /nfs/dbraw/zinc/27/93/98/1136279398.db2.gz WLCLTGMCLGQWKY-GKCIPKSASA-N 1 2 348.450 3.713 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832011 1136280048 /nfs/dbraw/zinc/28/00/48/1136280048.db2.gz LSUATBNREKMUOZ-RBSFLKMASA-N 1 2 331.485 3.588 20 0 EHADLO COC[C@H](C)[C@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000813098194 1136287573 /nfs/dbraw/zinc/28/75/73/1136287573.db2.gz NKMHCMKDOWQVJX-GJZGRUSLSA-N 1 2 342.439 3.710 20 0 EHADLO C[C@@H]1CC[C@@](C)(/C=C\C(=O)NCc2nc(C[NH+](C)C)cs2)C1(C)C ZINC001133651276 1136302809 /nfs/dbraw/zinc/30/28/09/1136302809.db2.gz ALHJFFXRNAWELH-OYKHKUDJSA-N 1 2 349.544 3.840 20 0 EHADLO Cc1ccc(N(C)C(=O)c2cccc3[nH+]ccn32)c(Br)c1 ZINC000813312436 1136317487 /nfs/dbraw/zinc/31/74/87/1136317487.db2.gz ZULNNLOEUICZQO-UHFFFAOYSA-N 1 2 344.212 3.682 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(Cc3cccc(F)c3)C3CCC3)ccn12 ZINC001133984867 1136376094 /nfs/dbraw/zinc/37/60/94/1136376094.db2.gz WITAZDULDADCNT-UHFFFAOYSA-N 1 2 337.398 3.977 20 0 EHADLO CC(C)c1scnc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400853 1136376578 /nfs/dbraw/zinc/37/65/78/1136376578.db2.gz UBLPWWRZDOEXJQ-UHFFFAOYSA-N 1 2 345.468 3.735 20 0 EHADLO CC(C)CCSCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399580 1136376657 /nfs/dbraw/zinc/37/66/57/1136376657.db2.gz YHIBEUWOFYDFKJ-UHFFFAOYSA-N 1 2 336.501 3.621 20 0 EHADLO C/C(=C\c1ccco1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401471 1136377001 /nfs/dbraw/zinc/37/70/01/1136377001.db2.gz MMHMGTRZYULTKW-FYWRMAATSA-N 1 2 326.396 3.538 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000173205467 1136384073 /nfs/dbraw/zinc/38/40/73/1136384073.db2.gz CIEBQJHRUAGBJJ-UONOGXRCSA-N 1 2 325.416 3.791 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851714171 1136401170 /nfs/dbraw/zinc/40/11/70/1136401170.db2.gz FULBIFCEFGHITQ-JTQLQIEISA-N 1 2 339.773 3.645 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851714171 1136401171 /nfs/dbraw/zinc/40/11/71/1136401171.db2.gz FULBIFCEFGHITQ-JTQLQIEISA-N 1 2 339.773 3.645 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cnon2)ccc1OCc1ccccc1 ZINC000851897250 1136417031 /nfs/dbraw/zinc/41/70/31/1136417031.db2.gz NKHJXYCWLYBTAH-AWEZNQCLSA-N 1 2 339.395 3.508 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000814224152 1136425117 /nfs/dbraw/zinc/42/51/17/1136425117.db2.gz AHUBYWBJFVYYSR-LJQANCHMSA-N 1 2 347.462 3.714 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)cc1 ZINC000814224152 1136425119 /nfs/dbraw/zinc/42/51/19/1136425119.db2.gz AHUBYWBJFVYYSR-LJQANCHMSA-N 1 2 347.462 3.714 20 0 EHADLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170736054 1136430384 /nfs/dbraw/zinc/43/03/84/1136430384.db2.gz DVTGCRRJUAMEOJ-MHORFTMASA-N 1 2 347.524 3.876 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)c1 ZINC000852323398 1136448331 /nfs/dbraw/zinc/44/83/31/1136448331.db2.gz HVPCZTHFLXHUSJ-IFXJQAMLSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)c1 ZINC000852323398 1136448334 /nfs/dbraw/zinc/44/83/34/1136448334.db2.gz HVPCZTHFLXHUSJ-IFXJQAMLSA-N 1 2 327.428 3.607 20 0 EHADLO C[S@](=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564959 1136467120 /nfs/dbraw/zinc/46/71/20/1136467120.db2.gz VHJVZVJZHJOALP-KKSFZXQISA-N 1 2 339.913 3.728 20 0 EHADLO C[S@](=O)CC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564959 1136467123 /nfs/dbraw/zinc/46/71/23/1136467123.db2.gz VHJVZVJZHJOALP-KKSFZXQISA-N 1 2 339.913 3.728 20 0 EHADLO C[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@]1=O ZINC000338950506 1136474270 /nfs/dbraw/zinc/47/42/70/1136474270.db2.gz YEXHRQXXOHEMAI-LFPIHBKWSA-N 1 2 349.446 3.550 20 0 EHADLO C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[S@]1=O ZINC000338950506 1136474272 /nfs/dbraw/zinc/47/42/72/1136474272.db2.gz YEXHRQXXOHEMAI-LFPIHBKWSA-N 1 2 349.446 3.550 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(Br)c2ccccc2c1 ZINC000814583400 1136475733 /nfs/dbraw/zinc/47/57/33/1136475733.db2.gz GPMVPODZLWGPHR-UHFFFAOYSA-N 1 2 345.196 3.656 20 0 EHADLO CC(C)[C@@H]([NH2+]CC(F)(F)C(F)F)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730378 1136481151 /nfs/dbraw/zinc/48/11/51/1136481151.db2.gz DTNPLIWXZWFKJF-NEPJUHHUSA-N 1 2 327.749 3.888 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1cc(C)cc(Cl)c1)C[NH2+]C2(C)C ZINC001170761006 1136498314 /nfs/dbraw/zinc/49/83/14/1136498314.db2.gz QPFVGOQZFIAZPN-UHFFFAOYSA-N 1 2 348.834 3.931 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)o1 ZINC000747971058 1136499143 /nfs/dbraw/zinc/49/91/43/1136499143.db2.gz XMYIIYVGNPWLEB-CVEARBPZSA-N 1 2 328.460 3.521 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)o1 ZINC000747971058 1136499146 /nfs/dbraw/zinc/49/91/46/1136499146.db2.gz XMYIIYVGNPWLEB-CVEARBPZSA-N 1 2 328.460 3.521 20 0 EHADLO C=Cc1cccc(Nc2c3c(nn2C(=O)OCC)C(C)(C)[NH2+]C3)c1 ZINC001170761607 1136499182 /nfs/dbraw/zinc/49/91/82/1136499182.db2.gz WITONWNJMSREGP-UHFFFAOYSA-N 1 2 326.400 3.613 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000853119042 1136511391 /nfs/dbraw/zinc/51/13/91/1136511391.db2.gz CYZACJFNSDPTHL-MRXNPFEDSA-N 1 2 327.321 3.688 20 0 EHADLO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1ncc(Cl)c1C1CC1 ZINC000853495237 1136537859 /nfs/dbraw/zinc/53/78/59/1136537859.db2.gz PTPKHSRTYXPREY-KRWDZBQOSA-N 1 2 331.847 3.617 20 0 EHADLO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1ncc(Cl)c1C1CC1 ZINC000853495237 1136537862 /nfs/dbraw/zinc/53/78/62/1136537862.db2.gz PTPKHSRTYXPREY-KRWDZBQOSA-N 1 2 331.847 3.617 20 0 EHADLO CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000815098323 1136555629 /nfs/dbraw/zinc/55/56/29/1136555629.db2.gz FLABATYFFIKDNL-DLBZAZTESA-N 1 2 327.428 3.837 20 0 EHADLO Cc1cc(Cl)nc(C[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000815140060 1136560958 /nfs/dbraw/zinc/56/09/58/1136560958.db2.gz SRPBHKSIOPPGCR-UHFFFAOYSA-N 1 2 327.815 3.912 20 0 EHADLO c1csc([C@H](Nc2ccc([NH+]3CCCC3)cc2)c2nc[nH]n2)c1 ZINC000815601878 1136617518 /nfs/dbraw/zinc/61/75/18/1136617518.db2.gz HUKLGSLUZYEJIB-INIZCTEOSA-N 1 2 325.441 3.668 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c[nH+]1 ZINC001135429641 1136682633 /nfs/dbraw/zinc/68/26/33/1136682633.db2.gz CCIYIWGOWFGHRL-UHFFFAOYSA-N 1 2 327.472 3.883 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc2ncsc2c1 ZINC000776806769 1136687039 /nfs/dbraw/zinc/68/70/39/1136687039.db2.gz BFTDFKIXGGUTPR-CYBMUJFWSA-N 1 2 335.436 3.728 20 0 EHADLO C[C@@H]1CC[C@H](C)[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000816223057 1136689255 /nfs/dbraw/zinc/68/92/55/1136689255.db2.gz OCQBZUOUHOPDRY-GJYPPUQNSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000173297918 1136708111 /nfs/dbraw/zinc/70/81/11/1136708111.db2.gz JPCIYIAYJKIRMJ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000173297918 1136708114 /nfs/dbraw/zinc/70/81/14/1136708114.db2.gz JPCIYIAYJKIRMJ-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000173297937 1136708343 /nfs/dbraw/zinc/70/83/43/1136708343.db2.gz JPCIYIAYJKIRMJ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000173297937 1136708346 /nfs/dbraw/zinc/70/83/46/1136708346.db2.gz JPCIYIAYJKIRMJ-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1Cl ZINC001138022678 1136710822 /nfs/dbraw/zinc/71/08/22/1136710822.db2.gz ISOFBRIJZNOVPH-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1Cl ZINC001138022678 1136710826 /nfs/dbraw/zinc/71/08/26/1136710826.db2.gz ISOFBRIJZNOVPH-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccnc1SC(F)(F)F ZINC000816480564 1136723138 /nfs/dbraw/zinc/72/31/38/1136723138.db2.gz PZBGYXGEQWPPRQ-UHFFFAOYSA-N 1 2 338.314 3.594 20 0 EHADLO Cn1ncc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1Cl ZINC000816608256 1136740508 /nfs/dbraw/zinc/74/05/08/1136740508.db2.gz USVNALIWBKHLNK-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO Cn1ncc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1Cl ZINC000816608256 1136740511 /nfs/dbraw/zinc/74/05/11/1136740511.db2.gz USVNALIWBKHLNK-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000816635735 1136742901 /nfs/dbraw/zinc/74/29/01/1136742901.db2.gz UWAJOXSDVJQMSJ-IBGZPJMESA-N 1 2 343.398 3.812 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC000776846676 1136746646 /nfs/dbraw/zinc/74/66/46/1136746646.db2.gz GQVSBRLSNKJCEG-LLVKDONJSA-N 1 2 333.313 3.844 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC001135665447 1136747921 /nfs/dbraw/zinc/74/79/21/1136747921.db2.gz IQPFDJWSNBJQTM-UHFFFAOYSA-N 1 2 349.409 3.745 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@@H](CC)O1 ZINC000817280339 1136790598 /nfs/dbraw/zinc/79/05/98/1136790598.db2.gz CTSCVTXNPCCIFF-DJIMGWMZSA-N 1 2 329.444 3.995 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](CC(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000817310769 1136796181 /nfs/dbraw/zinc/79/61/81/1136796181.db2.gz MATPVXGFAZNXES-LBPRGKRZSA-N 1 2 344.381 3.652 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370414 1136801426 /nfs/dbraw/zinc/80/14/26/1136801426.db2.gz KLVMCKUPPAEIAS-KRWDZBQOSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370414 1136801428 /nfs/dbraw/zinc/80/14/28/1136801428.db2.gz KLVMCKUPPAEIAS-KRWDZBQOSA-N 1 2 341.430 3.519 20 0 EHADLO CC[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC001135937410 1136818781 /nfs/dbraw/zinc/81/87/81/1136818781.db2.gz OEUZEYHYHGNRHF-FQEVSTJZSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(Cl)nc3)cn2c1 ZINC000114677625 1136820764 /nfs/dbraw/zinc/82/07/64/1136820764.db2.gz HJAXKGURVDKVDZ-UHFFFAOYSA-N 1 2 346.843 3.563 20 0 EHADLO Fc1ncccc1C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817584339 1136825012 /nfs/dbraw/zinc/82/50/12/1136825012.db2.gz WZRYGLNEUOMLAQ-LLVKDONJSA-N 1 2 342.237 3.681 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cnc2ccccc2c1 ZINC001135951191 1136826820 /nfs/dbraw/zinc/82/68/20/1136826820.db2.gz TUEGABQLXQYYGO-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3cn(C)nc3Cl)CC2)cc1 ZINC000857037873 1136835460 /nfs/dbraw/zinc/83/54/60/1136835460.db2.gz ZLVBQAKRLZEODQ-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3cn(C)nc3Cl)CC2)cc1 ZINC000857037873 1136835464 /nfs/dbraw/zinc/83/54/64/1136835464.db2.gz ZLVBQAKRLZEODQ-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO CC/C=C(\F)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001136016817 1136840486 /nfs/dbraw/zinc/84/04/86/1136840486.db2.gz NXBKRWHVXWJHSV-CQPUUCJISA-N 1 2 344.352 3.613 20 0 EHADLO CC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170886252 1136858088 /nfs/dbraw/zinc/85/80/88/1136858088.db2.gz PZDACZKSTZWRKK-IAGOWNOFSA-N 1 2 336.273 3.750 20 0 EHADLO CC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170886252 1136858090 /nfs/dbraw/zinc/85/80/90/1136858090.db2.gz PZDACZKSTZWRKK-IAGOWNOFSA-N 1 2 336.273 3.750 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000818259700 1136868478 /nfs/dbraw/zinc/86/84/78/1136868478.db2.gz UQIIITQNMRUPEW-SFHVURJKSA-N 1 2 348.446 3.800 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000818259700 1136868482 /nfs/dbraw/zinc/86/84/82/1136868482.db2.gz UQIIITQNMRUPEW-SFHVURJKSA-N 1 2 348.446 3.800 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000818344685 1136872900 /nfs/dbraw/zinc/87/29/00/1136872900.db2.gz PUSOLCVHFPHVHF-QGZVFWFLSA-N 1 2 340.471 3.923 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000776938054 1136876783 /nfs/dbraw/zinc/87/67/83/1136876783.db2.gz ZHRMSDCKVKUBAM-FHWLQOOXSA-N 1 2 347.499 3.733 20 0 EHADLO CC[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1c1ccccc1 ZINC000776976289 1136907963 /nfs/dbraw/zinc/90/79/63/1136907963.db2.gz ZVVHRMICIOHERM-WMZOPIPTSA-N 1 2 333.435 3.990 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@](C)(CC)c2ccccc2)cs1 ZINC000115617365 1136908793 /nfs/dbraw/zinc/90/87/93/1136908793.db2.gz RFYQBCYERDDOFO-SFHVURJKSA-N 1 2 331.485 3.931 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)CCC2 ZINC001136185971 1136911472 /nfs/dbraw/zinc/91/14/72/1136911472.db2.gz XBBFLLMNXUVODA-KRWDZBQOSA-N 1 2 347.418 3.940 20 0 EHADLO O=C(/C=C/[C@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000819111725 1136914919 /nfs/dbraw/zinc/91/49/19/1136914919.db2.gz UEEGYIQKMUTCIY-DOJUMQAQSA-N 1 2 337.423 3.560 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857985089 1136927241 /nfs/dbraw/zinc/92/72/41/1136927241.db2.gz HJQRIDOLXRWHDQ-AWEZNQCLSA-N 1 2 338.238 3.774 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000857984806 1136927272 /nfs/dbraw/zinc/92/72/72/1136927272.db2.gz DXHSECYAWCCFKR-BFHYXJOUSA-N 1 2 336.222 3.555 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858017257 1136932498 /nfs/dbraw/zinc/93/24/98/1136932498.db2.gz WGLVBVIGUJMMDE-INIZCTEOSA-N 1 2 342.443 3.509 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858017257 1136932499 /nfs/dbraw/zinc/93/24/99/1136932499.db2.gz WGLVBVIGUJMMDE-INIZCTEOSA-N 1 2 342.443 3.509 20 0 EHADLO Fc1ccc(-n2cc(CNc3ccc([NH+]4CCCC4)cc3)nn2)cc1 ZINC000858101340 1136940096 /nfs/dbraw/zinc/94/00/96/1136940096.db2.gz LKVXQRFDDDHYRK-UHFFFAOYSA-N 1 2 337.402 3.619 20 0 EHADLO CSCCCCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000858190326 1136948258 /nfs/dbraw/zinc/94/82/58/1136948258.db2.gz HYUIXDJCNMFPSR-UHFFFAOYSA-N 1 2 340.558 3.706 20 0 EHADLO CSCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000819545509 1136949452 /nfs/dbraw/zinc/94/94/52/1136949452.db2.gz CEUCIMNFQSBAAG-CQSZACIVSA-N 1 2 349.544 3.820 20 0 EHADLO CSCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000819545509 1136949455 /nfs/dbraw/zinc/94/94/55/1136949455.db2.gz CEUCIMNFQSBAAG-CQSZACIVSA-N 1 2 349.544 3.820 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000858223081 1136950603 /nfs/dbraw/zinc/95/06/03/1136950603.db2.gz WUYPLXYHCYFRJB-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO CCCc1nc(C)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000777014678 1136954683 /nfs/dbraw/zinc/95/46/83/1136954683.db2.gz SJVWEBADDGOLAS-CYBMUJFWSA-N 1 2 349.504 3.837 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000858419935 1136966328 /nfs/dbraw/zinc/96/63/28/1136966328.db2.gz HCDJTCXSRYULAC-YOEHRIQHSA-N 1 2 341.455 3.974 20 0 EHADLO CN(c1ccccc1NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC000777029852 1136969003 /nfs/dbraw/zinc/96/90/03/1136969003.db2.gz GHZGTJAJEZQART-UHFFFAOYSA-N 1 2 334.423 3.965 20 0 EHADLO c1nnc([C@H]([NH2+]CCCCCCc2ccccc2)c2cccnc2)[nH]1 ZINC000858461733 1136969973 /nfs/dbraw/zinc/96/99/73/1136969973.db2.gz PEBFSOMHKKTCAX-LJQANCHMSA-N 1 2 335.455 3.682 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)n1 ZINC001136313108 1136983027 /nfs/dbraw/zinc/98/30/27/1136983027.db2.gz FCBYJUKZGZIBJB-UHFFFAOYSA-N 1 2 330.438 3.507 20 0 EHADLO CC(C)C[C@H](C(=O)NC[C@H](C)c1nc2ccccc2o1)n1cc[nH+]c1 ZINC000820521827 1136995673 /nfs/dbraw/zinc/99/56/73/1136995673.db2.gz WPECYCCTKHWREJ-GOEBONIOSA-N 1 2 340.427 3.531 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000858934063 1136997464 /nfs/dbraw/zinc/99/74/64/1136997464.db2.gz VVHAIJVWWXHDQT-RQOWECAXSA-N 1 2 333.482 3.543 20 0 EHADLO CC(C)C[C@@H](C(=O)Oc1ccc(NC(=O)C(C)C)cc1)n1cc[nH+]c1 ZINC000820720687 1137002919 /nfs/dbraw/zinc/00/29/19/1137002919.db2.gz JVPBNGDNNGEHII-KRWDZBQOSA-N 1 2 343.427 3.670 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1OC(F)F ZINC000859229139 1137008840 /nfs/dbraw/zinc/00/88/40/1137008840.db2.gz XMWXTMZMVFFTPJ-GFCCVEGCSA-N 1 2 329.778 3.916 20 0 EHADLO CN(C)c1ccc(C2CC[NH+](Cc3cc(Cl)n(C)n3)CC2)cc1 ZINC000859259340 1137009966 /nfs/dbraw/zinc/00/99/66/1137009966.db2.gz IUBVTJRHSDEJCJ-UHFFFAOYSA-N 1 2 332.879 3.519 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)c(Cl)c1F ZINC001136395094 1137010858 /nfs/dbraw/zinc/01/08/58/1137010858.db2.gz ZIFYAEWDYMOTIT-LBPRGKRZSA-N 1 2 341.789 3.659 20 0 EHADLO O=C(Cc1cccc2cnccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136459032 1137030901 /nfs/dbraw/zinc/03/09/01/1137030901.db2.gz DWJJICBPCIWFKK-UHFFFAOYSA-N 1 2 328.375 3.806 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3nc2Cl)n[nH]1 ZINC000859893654 1137036286 /nfs/dbraw/zinc/03/62/86/1137036286.db2.gz SNIXZFYXJZSAOO-INIZCTEOSA-N 1 2 340.814 3.721 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2Cl)n[nH]1 ZINC000859893654 1137036288 /nfs/dbraw/zinc/03/62/88/1137036288.db2.gz SNIXZFYXJZSAOO-INIZCTEOSA-N 1 2 340.814 3.721 20 0 EHADLO Cl/C=C(\Cl)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000859896813 1137036420 /nfs/dbraw/zinc/03/64/20/1137036420.db2.gz XBKGDZPOEFCWRC-LCYFTJDESA-N 1 2 330.259 3.911 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)CCc3[nH+]ccn3C)c2)c1 ZINC001136553759 1137052253 /nfs/dbraw/zinc/05/22/53/1137052253.db2.gz OQONBBVKQIGEKY-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000822757609 1137073412 /nfs/dbraw/zinc/07/34/12/1137073412.db2.gz HPVVVFRFESQWBA-RTWAWAEBSA-N 1 2 334.463 3.702 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc5c(c4)CCCN5)n3)[nH+]c12 ZINC000822776662 1137074799 /nfs/dbraw/zinc/07/47/99/1137074799.db2.gz YLFZUUXIVQFPMJ-UHFFFAOYSA-N 1 2 345.406 3.642 20 0 EHADLO CC(C)Oc1cccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)c1 ZINC000822770981 1137074970 /nfs/dbraw/zinc/07/49/70/1137074970.db2.gz OIOHFCXTAXKVLZ-GOSISDBHSA-N 1 2 335.407 3.911 20 0 EHADLO CCCCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H](C)CC ZINC001136636434 1137076594 /nfs/dbraw/zinc/07/65/94/1137076594.db2.gz ACKZQGCCYMKNDT-APWZRJJASA-N 1 2 332.488 3.697 20 0 EHADLO CCCCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H](C)CC ZINC001136636434 1137076596 /nfs/dbraw/zinc/07/65/96/1137076596.db2.gz ACKZQGCCYMKNDT-APWZRJJASA-N 1 2 332.488 3.697 20 0 EHADLO Cc1cccc(Oc2ccccc2CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001136705118 1137093969 /nfs/dbraw/zinc/09/39/69/1137093969.db2.gz BGGGSZAEDQJSHB-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1cccc2c(-c3nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no3)coc21 ZINC000823382227 1137097357 /nfs/dbraw/zinc/09/73/57/1137097357.db2.gz VMLQCZPNWOSJCY-ZDUSSCGKSA-N 1 2 343.383 3.523 20 0 EHADLO CCCCCC(C)(C)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394064 1137097888 /nfs/dbraw/zinc/09/78/88/1137097888.db2.gz UATJDEUPRDGZMI-LBPRGKRZSA-N 1 2 325.453 3.659 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000823393382 1137098165 /nfs/dbraw/zinc/09/81/65/1137098165.db2.gz JLNDZZWLTWUKSN-XQLPTFJDSA-N 1 2 349.475 3.875 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc3ccccc3c2)n1 ZINC000823402077 1137098494 /nfs/dbraw/zinc/09/84/94/1137098494.db2.gz QKYSZJBJRGOGQO-HNNXBMFYSA-N 1 2 339.395 3.621 20 0 EHADLO C[C@@H]1C[C@H](C[N@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823441953 1137099474 /nfs/dbraw/zinc/09/94/74/1137099474.db2.gz CNKDSYZNRYZABS-CHWSQXEVSA-N 1 2 332.435 3.752 20 0 EHADLO C[C@@H]1C[C@H](C[N@@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823441953 1137099476 /nfs/dbraw/zinc/09/94/76/1137099476.db2.gz CNKDSYZNRYZABS-CHWSQXEVSA-N 1 2 332.435 3.752 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc3cccnc3o2)C(C)(C)C1 ZINC000823471690 1137101536 /nfs/dbraw/zinc/10/15/36/1137101536.db2.gz WRHPPLSSVPAABX-UHFFFAOYSA-N 1 2 345.443 3.659 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc3cccnc3o2)C(C)(C)C1 ZINC000823471690 1137101538 /nfs/dbraw/zinc/10/15/38/1137101538.db2.gz WRHPPLSSVPAABX-UHFFFAOYSA-N 1 2 345.443 3.659 20 0 EHADLO O=C(OCC[NH+]1CCC1)c1sc(-c2ccccc2)nc1C(F)F ZINC000861387910 1137104278 /nfs/dbraw/zinc/10/42/78/1137104278.db2.gz DJBYFVFQMKYHCY-UHFFFAOYSA-N 1 2 338.379 3.610 20 0 EHADLO CC1=Nc2ccccc2C12CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC000823811401 1137113852 /nfs/dbraw/zinc/11/38/52/1137113852.db2.gz NUDWAUVGNRCUJA-UHFFFAOYSA-N 1 2 344.418 3.843 20 0 EHADLO Oc1ccc2c(c1)C[C@H](Nc1cc[nH+]c(OCc3ccccn3)c1)CC2 ZINC001171040956 1137121619 /nfs/dbraw/zinc/12/16/19/1137121619.db2.gz RKWYHFNPTDATOI-QGZVFWFLSA-N 1 2 347.418 3.731 20 0 EHADLO O=C(N[C@H]1C[C@H]1Cc1ccccc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136833785 1137126633 /nfs/dbraw/zinc/12/66/33/1137126633.db2.gz BPKPJSSHIZJWDG-ZRNYENFQSA-N 1 2 349.478 3.800 20 0 EHADLO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000824404581 1137135094 /nfs/dbraw/zinc/13/50/94/1137135094.db2.gz SPMBFHJSFXEUAY-WMLDXEAASA-N 1 2 327.428 3.686 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@H+](Cc3cnc[nH]3)C2)c(Cl)c1 ZINC001136870175 1137135132 /nfs/dbraw/zinc/13/51/32/1137135132.db2.gz QEMYJQKHRFCZHC-AWEZNQCLSA-N 1 2 326.227 3.508 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c(Cl)c1 ZINC001136870175 1137135133 /nfs/dbraw/zinc/13/51/33/1137135133.db2.gz QEMYJQKHRFCZHC-AWEZNQCLSA-N 1 2 326.227 3.508 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000824370496 1137135879 /nfs/dbraw/zinc/13/58/79/1137135879.db2.gz JUOUTBJKLHCJLH-KBXCAEBGSA-N 1 2 328.460 3.588 20 0 EHADLO CCn1nc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000824370496 1137135880 /nfs/dbraw/zinc/13/58/80/1137135880.db2.gz JUOUTBJKLHCJLH-KBXCAEBGSA-N 1 2 328.460 3.588 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H]2CCn3ccnc32)c(OCCC)c1 ZINC000824521037 1137141018 /nfs/dbraw/zinc/14/10/18/1137141018.db2.gz DYMADYAVCHELCB-KRWDZBQOSA-N 1 2 329.444 3.695 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+]Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000824522338 1137141029 /nfs/dbraw/zinc/14/10/29/1137141029.db2.gz UUVRGFHLELCGIS-IBGZPJMESA-N 1 2 347.466 3.656 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1C ZINC001136890410 1137141032 /nfs/dbraw/zinc/14/10/32/1137141032.db2.gz MXXNSOASCLVKFO-DGDHUYAWSA-N 1 2 349.478 3.699 20 0 EHADLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824526924 1137141376 /nfs/dbraw/zinc/14/13/76/1137141376.db2.gz QYFSCHPSTNAWAX-SFHVURJKSA-N 1 2 349.482 3.660 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063679 1137150338 /nfs/dbraw/zinc/15/03/38/1137150338.db2.gz OIJRTYCTQLGBJO-GFCCVEGCSA-N 1 2 330.255 3.782 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171066242 1137152244 /nfs/dbraw/zinc/15/22/44/1137152244.db2.gz JKRFTIDMWHHJMN-CYBMUJFWSA-N 1 2 342.266 3.926 20 0 EHADLO Fc1cccc2[nH]cc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)c21 ZINC001136985889 1137164647 /nfs/dbraw/zinc/16/46/47/1137164647.db2.gz ZSBVRHFUQKVMCX-QGZVFWFLSA-N 1 2 340.398 3.587 20 0 EHADLO Fc1cccc2[nH]cc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)c21 ZINC001136985889 1137164648 /nfs/dbraw/zinc/16/46/48/1137164648.db2.gz ZSBVRHFUQKVMCX-QGZVFWFLSA-N 1 2 340.398 3.587 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc3cnn(C(C)C)c3nc2Cl)o1 ZINC000825079014 1137164657 /nfs/dbraw/zinc/16/46/57/1137164657.db2.gz JOVUENVPWYFXTI-UHFFFAOYSA-N 1 2 347.850 3.896 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136997590 1137168606 /nfs/dbraw/zinc/16/86/06/1137168606.db2.gz FYLHPQARYTZSAD-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136997590 1137168607 /nfs/dbraw/zinc/16/86/07/1137168607.db2.gz FYLHPQARYTZSAD-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cnc(OC)c(C)c2)c1 ZINC001137009793 1137170840 /nfs/dbraw/zinc/17/08/40/1137170840.db2.gz PSYZJKGOZYNQSS-SFHVURJKSA-N 1 2 344.480 3.697 20 0 EHADLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2cnc(OC)c(C)c2)c1 ZINC001137009793 1137170841 /nfs/dbraw/zinc/17/08/41/1137170841.db2.gz PSYZJKGOZYNQSS-SFHVURJKSA-N 1 2 344.480 3.697 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC000863275258 1137179211 /nfs/dbraw/zinc/17/92/11/1137179211.db2.gz YYIPFMCBZRAHTL-FRRDWIJNSA-N 1 2 344.471 3.605 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC000863275258 1137179212 /nfs/dbraw/zinc/17/92/12/1137179212.db2.gz YYIPFMCBZRAHTL-FRRDWIJNSA-N 1 2 344.471 3.605 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(Cl)c2)c1C ZINC000173509799 1137184213 /nfs/dbraw/zinc/18/42/13/1137184213.db2.gz RYMDTNIKJAYVJB-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)c1C ZINC000173509799 1137184214 /nfs/dbraw/zinc/18/42/14/1137184214.db2.gz RYMDTNIKJAYVJB-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO CCOCCCNc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000863690399 1137199554 /nfs/dbraw/zinc/19/95/54/1137199554.db2.gz PPWZLIMDAZDLJS-UHFFFAOYSA-N 1 2 336.439 3.832 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1Br ZINC001143813591 1137203174 /nfs/dbraw/zinc/20/31/74/1137203174.db2.gz VEWCYBIVVARNJD-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1Br ZINC001143813591 1137203176 /nfs/dbraw/zinc/20/31/76/1137203176.db2.gz VEWCYBIVVARNJD-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000794569352 1137205030 /nfs/dbraw/zinc/20/50/30/1137205030.db2.gz FXZUMIXFDWSBKX-KRWDZBQOSA-N 1 2 342.826 3.720 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccco3)n2)C1 ZINC000863853985 1137205548 /nfs/dbraw/zinc/20/55/48/1137205548.db2.gz SDFYPGHJJAZRKF-NWANDNLSSA-N 1 2 345.468 3.710 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccco3)n2)C1 ZINC000863853985 1137205550 /nfs/dbraw/zinc/20/55/50/1137205550.db2.gz SDFYPGHJJAZRKF-NWANDNLSSA-N 1 2 345.468 3.710 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1F ZINC001143885675 1137210077 /nfs/dbraw/zinc/21/00/77/1137210077.db2.gz AMCKPDCFLONHMX-NSHDSACASA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c1F ZINC001143885675 1137210079 /nfs/dbraw/zinc/21/00/79/1137210079.db2.gz AMCKPDCFLONHMX-NSHDSACASA-N 1 2 339.798 3.559 20 0 EHADLO Cc1cc(NC(=O)[C@](C)(O)CCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001143939256 1137216430 /nfs/dbraw/zinc/21/64/30/1137216430.db2.gz BEGOWOYULXEJIG-OAQYLSRUSA-N 1 2 349.434 3.503 20 0 EHADLO CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001143948694 1137216879 /nfs/dbraw/zinc/21/68/79/1137216879.db2.gz AJPATQIBESBBHE-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143961072 1137219433 /nfs/dbraw/zinc/21/94/33/1137219433.db2.gz HIQSANCYFJLQBL-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143961072 1137219435 /nfs/dbraw/zinc/21/94/35/1137219435.db2.gz HIQSANCYFJLQBL-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421463 1137219624 /nfs/dbraw/zinc/21/96/24/1137219624.db2.gz IAHAPFWPVGMYJA-ABAIWWIYSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421463 1137219625 /nfs/dbraw/zinc/21/96/25/1137219625.db2.gz IAHAPFWPVGMYJA-ABAIWWIYSA-N 1 2 330.255 3.670 20 0 EHADLO CCc1ncnc2c1CC[N@H+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001143953856 1137220710 /nfs/dbraw/zinc/22/07/10/1137220710.db2.gz CHCVFQOKLBEMGX-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO CCc1ncnc2c1CC[N@@H+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001143953856 1137220711 /nfs/dbraw/zinc/22/07/11/1137220711.db2.gz CHCVFQOKLBEMGX-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000844450491 1137221148 /nfs/dbraw/zinc/22/11/48/1137221148.db2.gz GSKGZMZSMKGRFG-GASCZTMLSA-N 1 2 349.381 3.612 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000844450491 1137221149 /nfs/dbraw/zinc/22/11/49/1137221149.db2.gz GSKGZMZSMKGRFG-GASCZTMLSA-N 1 2 349.381 3.612 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000794674447 1137225032 /nfs/dbraw/zinc/22/50/32/1137225032.db2.gz ZAUYHMRPYNCHNU-KRWDZBQOSA-N 1 2 330.859 3.645 20 0 EHADLO O=C1C[C@H](C2CC2)CN1C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000794674447 1137225034 /nfs/dbraw/zinc/22/50/34/1137225034.db2.gz ZAUYHMRPYNCHNU-KRWDZBQOSA-N 1 2 330.859 3.645 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000794681373 1137225894 /nfs/dbraw/zinc/22/58/94/1137225894.db2.gz BNKWOZYRNDEMSR-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000794681373 1137225895 /nfs/dbraw/zinc/22/58/95/1137225895.db2.gz BNKWOZYRNDEMSR-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cncs2)c(OC(F)(F)F)c1 ZINC001144053965 1137232633 /nfs/dbraw/zinc/23/26/33/1137232633.db2.gz QIPVJVHZYTYLKL-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cncs2)c(OC(F)(F)F)c1 ZINC001144053965 1137232634 /nfs/dbraw/zinc/23/26/34/1137232634.db2.gz QIPVJVHZYTYLKL-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](F)C3)s2)cc1OC ZINC001144064537 1137234114 /nfs/dbraw/zinc/23/41/14/1137234114.db2.gz ISAVJRJDYSSZEN-ZDUSSCGKSA-N 1 2 336.432 3.761 20 0 EHADLO COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](F)C3)s2)cc1OC ZINC001144064537 1137234115 /nfs/dbraw/zinc/23/41/15/1137234115.db2.gz ISAVJRJDYSSZEN-ZDUSSCGKSA-N 1 2 336.432 3.761 20 0 EHADLO c1cc2cc(NC3CCN(c4cnc5ccccc5n4)CC3)[nH+]cc2[nH]1 ZINC001171137115 1137236846 /nfs/dbraw/zinc/23/68/46/1137236846.db2.gz HCZDWXXQPIYMEH-UHFFFAOYSA-N 1 2 344.422 3.587 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1ccccn1 ZINC000794706268 1137237943 /nfs/dbraw/zinc/23/79/43/1137237943.db2.gz NXGUTJUVDXLUES-AWEZNQCLSA-N 1 2 345.516 3.729 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](C(C)(C)C)C2)nc1-c1ccccn1 ZINC000794706268 1137237945 /nfs/dbraw/zinc/23/79/45/1137237945.db2.gz NXGUTJUVDXLUES-AWEZNQCLSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000794705518 1137238602 /nfs/dbraw/zinc/23/86/02/1137238602.db2.gz JYGCYZDHBLMZPA-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000794705518 1137238604 /nfs/dbraw/zinc/23/86/04/1137238604.db2.gz JYGCYZDHBLMZPA-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO Cc1c(O)cccc1C[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001144119178 1137240671 /nfs/dbraw/zinc/24/06/71/1137240671.db2.gz VXTKTKNEIXZUBT-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000844709159 1137247070 /nfs/dbraw/zinc/24/70/70/1137247070.db2.gz WWLSFSJRBLRDIJ-JSGCOSHPSA-N 1 2 349.887 3.847 20 0 EHADLO O=c1ccc(-c2ccc(Cl)s2)nn1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000844709159 1137247071 /nfs/dbraw/zinc/24/70/71/1137247071.db2.gz WWLSFSJRBLRDIJ-JSGCOSHPSA-N 1 2 349.887 3.847 20 0 EHADLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cn1cccnc1=S ZINC000844740891 1137248919 /nfs/dbraw/zinc/24/89/19/1137248919.db2.gz JRAVYIKEFBSCQU-OAHLLOKOSA-N 1 2 345.468 3.597 20 0 EHADLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cn1cccnc1=S ZINC000844740891 1137248920 /nfs/dbraw/zinc/24/89/20/1137248920.db2.gz JRAVYIKEFBSCQU-OAHLLOKOSA-N 1 2 345.468 3.597 20 0 EHADLO Fc1ccc2n[nH]c(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC001144191671 1137249534 /nfs/dbraw/zinc/24/95/34/1137249534.db2.gz WDUQSXLDSRHHHJ-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC(n4ncc5ccccc54)CC3)c2c1 ZINC001144202015 1137249611 /nfs/dbraw/zinc/24/96/11/1137249611.db2.gz GJTPGLKOOQIMHQ-UHFFFAOYSA-N 1 2 349.413 3.889 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844759935 1137250287 /nfs/dbraw/zinc/25/02/87/1137250287.db2.gz NLCBINHWWVMEFO-GFCCVEGCSA-N 1 2 334.464 3.501 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844759935 1137250288 /nfs/dbraw/zinc/25/02/88/1137250288.db2.gz NLCBINHWWVMEFO-GFCCVEGCSA-N 1 2 334.464 3.501 20 0 EHADLO Brc1cccc2c1CC[N@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC001144186553 1137250980 /nfs/dbraw/zinc/25/09/80/1137250980.db2.gz YYSZLULQUROQDO-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1CC[N@@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC001144186553 1137250982 /nfs/dbraw/zinc/25/09/82/1137250982.db2.gz YYSZLULQUROQDO-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000864982675 1137256379 /nfs/dbraw/zinc/25/63/79/1137256379.db2.gz UXHGRMMBXSUSIV-HUUCEWRRSA-N 1 2 327.428 3.583 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1Cc1ccccc1F ZINC000844879515 1137262364 /nfs/dbraw/zinc/26/23/64/1137262364.db2.gz CXJBXBSWULYAJZ-MRXNPFEDSA-N 1 2 337.398 3.711 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@@H]3c3cccnc3)nc[nH+]2)cc1 ZINC000865418704 1137281747 /nfs/dbraw/zinc/28/17/47/1137281747.db2.gz IFIHKQYKURYKPE-GOSISDBHSA-N 1 2 331.423 3.825 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@@H]3c3cccnc3)[nH+]cn2)cc1 ZINC000865418704 1137281749 /nfs/dbraw/zinc/28/17/49/1137281749.db2.gz IFIHKQYKURYKPE-GOSISDBHSA-N 1 2 331.423 3.825 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000845268104 1137282652 /nfs/dbraw/zinc/28/26/52/1137282652.db2.gz AHVJMLUSEHGXDU-CZUORRHYSA-N 1 2 333.863 3.871 20 0 EHADLO Cc1oc(-c2cccs2)nc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277204 1137283221 /nfs/dbraw/zinc/28/32/21/1137283221.db2.gz MJEADNCZSCFRBF-NSHDSACASA-N 1 2 331.397 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(C)ccc2Cl)c1C ZINC000120589656 1137287909 /nfs/dbraw/zinc/28/79/09/1137287909.db2.gz QFGPJBKIIBDEKT-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001144425649 1137289957 /nfs/dbraw/zinc/28/99/57/1137289957.db2.gz WJVKQGWRSVHFSE-WBVHZDCISA-N 1 2 336.426 3.512 20 0 EHADLO C[C@H](CC(=O)OC1(c2ccccc2Br)CC1)n1cc[nH+]c1 ZINC000845490988 1137294866 /nfs/dbraw/zinc/29/48/66/1137294866.db2.gz APQMZEUHMZCLQT-GFCCVEGCSA-N 1 2 349.228 3.829 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865569132 1137295932 /nfs/dbraw/zinc/29/59/32/1137295932.db2.gz GNZRLBYBXHTUHD-UHFFFAOYSA-N 1 2 328.460 3.718 20 0 EHADLO CCOc1cccc([C@H](CC)OC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845481804 1137296090 /nfs/dbraw/zinc/29/60/90/1137296090.db2.gz FCRWITTYWAEJLQ-SFHVURJKSA-N 1 2 342.439 3.855 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845521946 1137296814 /nfs/dbraw/zinc/29/68/14/1137296814.db2.gz HHNBSKKFARFGFR-OAHLLOKOSA-N 1 2 342.439 3.854 20 0 EHADLO O=c1[nH]ccc2oc(C[NH2+]Cc3cccc(OC4CC4)c3F)cc21 ZINC000865625407 1137299765 /nfs/dbraw/zinc/29/97/65/1137299765.db2.gz LODVXLMFFYPVBA-UHFFFAOYSA-N 1 2 328.343 3.504 20 0 EHADLO OC[C@H]1CCN(c2ccc([NH2+]C3CCCC3)cc2Br)C1 ZINC000865714070 1137306285 /nfs/dbraw/zinc/30/62/85/1137306285.db2.gz FAQLVGNZHKZELX-LBPRGKRZSA-N 1 2 339.277 3.622 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(F)c1 ZINC001144555072 1137308705 /nfs/dbraw/zinc/30/87/05/1137308705.db2.gz UDISVIDBWYTLAZ-UHFFFAOYSA-N 1 2 331.362 3.692 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(Br)cc2F)n1 ZINC000865811142 1137313652 /nfs/dbraw/zinc/31/36/52/1137313652.db2.gz WVPIEMUZIIVJQC-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO C[C@]12CCN(c3cc(NCc4ccccc4)[nH+]cn3)C[C@H]1C2(F)F ZINC000865823551 1137314492 /nfs/dbraw/zinc/31/44/92/1137314492.db2.gz FXDJTGIBUSODHG-PBHICJAKSA-N 1 2 330.382 3.570 20 0 EHADLO C[C@]12CCN(c3cc(NCc4ccccc4)nc[nH+]3)C[C@H]1C2(F)F ZINC000865823551 1137314494 /nfs/dbraw/zinc/31/44/94/1137314494.db2.gz FXDJTGIBUSODHG-PBHICJAKSA-N 1 2 330.382 3.570 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC(C)(C)[C@@H]1c1ccco1 ZINC000865999803 1137323948 /nfs/dbraw/zinc/32/39/48/1137323948.db2.gz YIJKILIGXOUKFR-AWEZNQCLSA-N 1 2 325.416 3.762 20 0 EHADLO FC1(F)CN(Cc2ccc3scnc3c2)CC[C@H]1[NH+]1CCCC1 ZINC001144744818 1137341945 /nfs/dbraw/zinc/34/19/45/1137341945.db2.gz GKPSAHMONCDOEP-MRXNPFEDSA-N 1 2 337.439 3.602 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000846298918 1137346140 /nfs/dbraw/zinc/34/61/40/1137346140.db2.gz KHFMWXCHMOVLSO-QGZVFWFLSA-N 1 2 325.456 3.752 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000866333491 1137346357 /nfs/dbraw/zinc/34/63/57/1137346357.db2.gz NNMKXYGWRZEBON-KNTRFNDTSA-N 1 2 342.483 3.671 20 0 EHADLO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866394897 1137351569 /nfs/dbraw/zinc/35/15/69/1137351569.db2.gz XEHXJMFTCVCIFF-NBYUQASBSA-N 1 2 329.415 3.806 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H](F)Cc1ccccc1 ZINC000846656792 1137360833 /nfs/dbraw/zinc/36/08/33/1137360833.db2.gz YBWRWQCNVZRWCJ-BZSNNMDCSA-N 1 2 341.430 3.502 20 0 EHADLO c1cn(Cc2cccc(-c3cccc(CO[C@H]4CCOC4)c3)c2)c[nH+]1 ZINC000846781085 1137365367 /nfs/dbraw/zinc/36/53/67/1137365367.db2.gz ZRBCQYIJRZVEAS-NRFANRHFSA-N 1 2 334.419 3.904 20 0 EHADLO CC(C)[C@](C)([NH2+]Cc1cnsn1)c1ccc(Br)cc1 ZINC000846871324 1137370464 /nfs/dbraw/zinc/37/04/64/1137370464.db2.gz GUIOFAXNSNEIHI-AWEZNQCLSA-N 1 2 340.290 3.962 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2cnsn2)C(C)C)cc1OCC ZINC000846839183 1137371131 /nfs/dbraw/zinc/37/11/31/1137371131.db2.gz FBWUZQXPOXOOFX-QGZVFWFLSA-N 1 2 335.473 3.822 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)F)o1 ZINC000867625548 1137382924 /nfs/dbraw/zinc/38/29/24/1137382924.db2.gz XYAPWWCVGQSKKR-UHFFFAOYSA-N 1 2 330.356 3.608 20 0 EHADLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1cncc(Br)c1 ZINC001206126062 1137388192 /nfs/dbraw/zinc/38/81/92/1137388192.db2.gz NIUFKDKNEUWCHU-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1cncc(Br)c1 ZINC001206126062 1137388193 /nfs/dbraw/zinc/38/81/93/1137388193.db2.gz NIUFKDKNEUWCHU-UHFFFAOYSA-N 1 2 347.256 3.937 20 0 EHADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292043 1137388410 /nfs/dbraw/zinc/38/84/10/1137388410.db2.gz UUISEPQJUGFVMR-CABCVRRESA-N 1 2 338.854 3.606 20 0 EHADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292043 1137388411 /nfs/dbraw/zinc/38/84/11/1137388411.db2.gz UUISEPQJUGFVMR-CABCVRRESA-N 1 2 338.854 3.606 20 0 EHADLO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867939691 1137390385 /nfs/dbraw/zinc/39/03/85/1137390385.db2.gz IWKAXEJSDARNGZ-IRXDYDNUSA-N 1 2 349.862 3.732 20 0 EHADLO Cc1scc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001147525051 1137409241 /nfs/dbraw/zinc/40/92/41/1137409241.db2.gz NNGJWRMTYWHFJL-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001148374379 1137423492 /nfs/dbraw/zinc/42/34/92/1137423492.db2.gz STHBACVDJRJMOQ-UHFFFAOYSA-N 1 2 337.379 3.542 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348113360 1137441768 /nfs/dbraw/zinc/44/17/68/1137441768.db2.gz ROBAZVNMLIRVSO-VHSXEESVSA-N 1 2 341.839 3.922 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)C2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068340 1137445863 /nfs/dbraw/zinc/44/58/63/1137445863.db2.gz DTHQMAQAEAIRPS-SJKOYZFVSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068340 1137445866 /nfs/dbraw/zinc/44/58/66/1137445866.db2.gz DTHQMAQAEAIRPS-SJKOYZFVSA-N 1 2 341.373 3.836 20 0 EHADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000282789230 1137451518 /nfs/dbraw/zinc/45/15/18/1137451518.db2.gz GVJRLPLWDBAIOS-CQSZACIVSA-N 1 2 335.407 3.915 20 0 EHADLO CC(C)(NC(=O)CCCn1cc[nH+]c1)c1nc2cc(Cl)ccc2o1 ZINC000870010501 1137474899 /nfs/dbraw/zinc/47/48/99/1137474899.db2.gz BQZGBOTZLMBOLW-UHFFFAOYSA-N 1 2 346.818 3.509 20 0 EHADLO CC(C)c1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000773240513 1137481063 /nfs/dbraw/zinc/48/10/63/1137481063.db2.gz LJDUECKXECNCNE-UHFFFAOYSA-N 1 2 348.450 3.995 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)[C@@H](CC)CSC)C1 ZINC000773255758 1137481871 /nfs/dbraw/zinc/48/18/71/1137481871.db2.gz OXYZDRHLVROSPN-KBPBESRZSA-N 1 2 342.574 3.846 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)[C@@H](CC)CSC)C1 ZINC000773255758 1137481872 /nfs/dbraw/zinc/48/18/72/1137481872.db2.gz OXYZDRHLVROSPN-KBPBESRZSA-N 1 2 342.574 3.846 20 0 EHADLO CC(C)(Nc1c[nH+]c2c(F)cc(Br)cn12)c1ccncc1 ZINC001171519603 1137495895 /nfs/dbraw/zinc/49/58/95/1137495895.db2.gz YAHXIIKFMDMYSJ-UHFFFAOYSA-N 1 2 349.207 3.978 20 0 EHADLO Fc1cccc([C@@H]2C[C@H]2[NH+]2CCN(c3c(F)cccc3F)CC2)c1 ZINC001171521809 1137496305 /nfs/dbraw/zinc/49/63/05/1137496305.db2.gz HMOPVEAPLSSEKD-MAUKXSAKSA-N 1 2 332.369 3.782 20 0 EHADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC001171740106 1137511317 /nfs/dbraw/zinc/51/13/17/1137511317.db2.gz BABIYHOSTAEGRH-CQSZACIVSA-N 1 2 330.241 3.978 20 0 EHADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC001171740106 1137511316 /nfs/dbraw/zinc/51/13/16/1137511316.db2.gz BABIYHOSTAEGRH-CQSZACIVSA-N 1 2 330.241 3.978 20 0 EHADLO CCCC[C@H]1C[N@H+](Cc2cccnc2)CCN1C(=O)OC(C)(C)C ZINC001204076222 1137516416 /nfs/dbraw/zinc/51/64/16/1137516416.db2.gz PQTKTSMYPBPPOY-KRWDZBQOSA-N 1 2 333.476 3.693 20 0 EHADLO CCCC[C@H]1C[N@@H+](Cc2cccnc2)CCN1C(=O)OC(C)(C)C ZINC001204076222 1137516418 /nfs/dbraw/zinc/51/64/18/1137516418.db2.gz PQTKTSMYPBPPOY-KRWDZBQOSA-N 1 2 333.476 3.693 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172317346 1137546686 /nfs/dbraw/zinc/54/66/86/1137546686.db2.gz QCSPACVQOLAXEO-JKIFEVAISA-N 1 2 341.879 3.607 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cccc(O)c1F)c1ccc(F)c(F)c1 ZINC000872052381 1137568119 /nfs/dbraw/zinc/56/81/19/1137568119.db2.gz DBPGNHAQBVSLCC-BONVTDFDSA-N 1 2 325.330 3.848 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872056479 1137568530 /nfs/dbraw/zinc/56/85/30/1137568530.db2.gz RRAFZCREETXAFJ-KRWDZBQOSA-N 1 2 330.472 3.735 20 0 EHADLO CC(C)(C)[C@@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000872061701 1137568958 /nfs/dbraw/zinc/56/89/58/1137568958.db2.gz ZCUGWDJPTSWBAV-LPHOPBHVSA-N 1 2 343.471 3.968 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269257 1137577021 /nfs/dbraw/zinc/57/70/21/1137577021.db2.gz HZPVYCHKPILXAU-SUMWQHHRSA-N 1 2 348.393 3.523 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269257 1137577022 /nfs/dbraw/zinc/57/70/22/1137577022.db2.gz HZPVYCHKPILXAU-SUMWQHHRSA-N 1 2 348.393 3.523 20 0 EHADLO Cc1csc([C@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000872736533 1137583531 /nfs/dbraw/zinc/58/35/31/1137583531.db2.gz HDUODRJVTMTALP-ZDUSSCGKSA-N 1 2 335.436 3.641 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)ccc1OC ZINC000873174913 1137592341 /nfs/dbraw/zinc/59/23/41/1137592341.db2.gz BGFKGQQZPVPDNO-UHFFFAOYSA-N 1 2 344.455 3.887 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H](C)c2nccnc2C)cc1Cl ZINC000873186467 1137593052 /nfs/dbraw/zinc/59/30/52/1137593052.db2.gz BJUJTMQOMDKLED-SNVBAGLBSA-N 1 2 326.227 3.951 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)CC3CCOCC3)c(=S)o2)cc1C ZINC000124639154 1137606235 /nfs/dbraw/zinc/60/62/35/1137606235.db2.gz UHDCMHKPJWIRRH-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)CC3CCOCC3)c(=S)o2)cc1C ZINC000124639154 1137606236 /nfs/dbraw/zinc/60/62/36/1137606236.db2.gz UHDCMHKPJWIRRH-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C/C=C\Cc1ccccc1 ZINC000874158866 1137611233 /nfs/dbraw/zinc/61/12/33/1137611233.db2.gz JUCAHIXGAYPCDO-JTHGQSKGSA-N 1 2 325.456 3.603 20 0 EHADLO CC(C)(C)SCCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000125182989 1137625118 /nfs/dbraw/zinc/62/51/18/1137625118.db2.gz GCTGSAHQYRZDAG-UHFFFAOYSA-N 1 2 340.558 3.704 20 0 EHADLO C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC001137088778 1137632773 /nfs/dbraw/zinc/63/27/73/1137632773.db2.gz QHBSYSCNCGPWNT-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000875902974 1137640430 /nfs/dbraw/zinc/64/04/30/1137640430.db2.gz GFLRHSAKQQMLLP-KRWDZBQOSA-N 1 2 344.846 3.571 20 0 EHADLO COc1cccc(C)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000876822108 1137662842 /nfs/dbraw/zinc/66/28/42/1137662842.db2.gz VXOQPMAENZYLQE-UHFFFAOYSA-N 1 2 326.440 3.577 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+]C[C@H]3CC3(Cl)Cl)cc2)C[C@H](C)O1 ZINC000876854936 1137663859 /nfs/dbraw/zinc/66/38/59/1137663859.db2.gz VXTDLLOBIUDIFB-FRRDWIJNSA-N 1 2 329.271 3.906 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cccc(Cl)c3N)c[nH+]2)C[C@H](C)O1 ZINC000877160869 1137671938 /nfs/dbraw/zinc/67/19/38/1137671938.db2.gz AFUFXXJMGJGBKR-STQMWFEESA-N 1 2 346.862 3.543 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877167839 1137672041 /nfs/dbraw/zinc/67/20/41/1137672041.db2.gz KVGZXDOJYPBQID-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877167839 1137672042 /nfs/dbraw/zinc/67/20/42/1137672042.db2.gz KVGZXDOJYPBQID-MNOVXSKESA-N 1 2 345.896 3.532 20 0 EHADLO Cn1ncc2cc(C[N@@H+]3CCc4ccc(C(F)(F)F)cc4C3)cnc21 ZINC000877662936 1137684635 /nfs/dbraw/zinc/68/46/35/1137684635.db2.gz ADOPWQAFYLYDIU-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO Cn1ncc2cc(C[N@H+]3CCc4ccc(C(F)(F)F)cc4C3)cnc21 ZINC000877662936 1137684636 /nfs/dbraw/zinc/68/46/36/1137684636.db2.gz ADOPWQAFYLYDIU-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000825994952 1137685675 /nfs/dbraw/zinc/68/56/75/1137685675.db2.gz PFDCHPFFPLCLOY-UHFFFAOYSA-N 1 2 341.361 3.956 20 0 EHADLO CCc1cnc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)s1 ZINC000877735772 1137687256 /nfs/dbraw/zinc/68/72/56/1137687256.db2.gz GMAWNJHZYFVSAS-UHFFFAOYSA-N 1 2 332.473 3.736 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000877754919 1137688165 /nfs/dbraw/zinc/68/81/65/1137688165.db2.gz XIXHZQNBYBOTIB-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000877754919 1137688166 /nfs/dbraw/zinc/68/81/66/1137688166.db2.gz XIXHZQNBYBOTIB-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO c1oc(-c2ccccc2)nc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762963 1137688712 /nfs/dbraw/zinc/68/87/12/1137688712.db2.gz VPBSHZOBOIMKQO-IBGZPJMESA-N 1 2 346.434 3.721 20 0 EHADLO c1oc(-c2ccccc2)nc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762963 1137688713 /nfs/dbraw/zinc/68/87/13/1137688713.db2.gz VPBSHZOBOIMKQO-IBGZPJMESA-N 1 2 346.434 3.721 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cs1 ZINC000877783985 1137689856 /nfs/dbraw/zinc/68/98/56/1137689856.db2.gz MEXXPKNDCDBWSX-CYBMUJFWSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cs1 ZINC000877783985 1137689857 /nfs/dbraw/zinc/68/98/57/1137689857.db2.gz MEXXPKNDCDBWSX-CYBMUJFWSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cs1 ZINC000877783985 1137689858 /nfs/dbraw/zinc/68/98/58/1137689858.db2.gz MEXXPKNDCDBWSX-CYBMUJFWSA-N 1 2 334.489 3.516 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cs1 ZINC000877783985 1137689859 /nfs/dbraw/zinc/68/98/59/1137689859.db2.gz MEXXPKNDCDBWSX-CYBMUJFWSA-N 1 2 334.489 3.516 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(F)cc(NC(=O)OC(C)(C)C)c2)no1 ZINC000877809928 1137690560 /nfs/dbraw/zinc/69/05/60/1137690560.db2.gz ZZFBZYSQWCJXLE-UHFFFAOYSA-N 1 2 335.379 3.759 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3cc(F)ccc3o2)CC[C@H](C(F)(F)F)O1 ZINC000877822380 1137692026 /nfs/dbraw/zinc/69/20/26/1137692026.db2.gz QYUKIHCBXNRFRP-NOZJJQNGSA-N 1 2 332.297 3.509 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3cc(F)ccc3o2)CC[C@H](C(F)(F)F)O1 ZINC000877822380 1137692027 /nfs/dbraw/zinc/69/20/27/1137692027.db2.gz QYUKIHCBXNRFRP-NOZJJQNGSA-N 1 2 332.297 3.509 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCCC(C)(C)O1 ZINC000878138841 1137704126 /nfs/dbraw/zinc/70/41/26/1137704126.db2.gz HXXHVEHGYLWYNK-SFHVURJKSA-N 1 2 327.472 3.711 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCCC(C)(C)O1 ZINC000878138841 1137704127 /nfs/dbraw/zinc/70/41/27/1137704127.db2.gz HXXHVEHGYLWYNK-SFHVURJKSA-N 1 2 327.472 3.711 20 0 EHADLO c1coc([C@@H]2C[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181102 1137706171 /nfs/dbraw/zinc/70/61/71/1137706171.db2.gz LCMAKAVIUCXKQF-HBFSDRIKSA-N 1 2 327.424 3.963 20 0 EHADLO c1coc([C@@H]2C[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181102 1137706172 /nfs/dbraw/zinc/70/61/72/1137706172.db2.gz LCMAKAVIUCXKQF-HBFSDRIKSA-N 1 2 327.424 3.963 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)c1ccccc1F ZINC000878223720 1137707767 /nfs/dbraw/zinc/70/77/67/1137707767.db2.gz RDBMYFVKUHUBPH-ICSRJNTNSA-N 1 2 327.399 3.597 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)c1ccccc1F ZINC000878223720 1137707768 /nfs/dbraw/zinc/70/77/68/1137707768.db2.gz RDBMYFVKUHUBPH-ICSRJNTNSA-N 1 2 327.399 3.597 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000878232025 1137708018 /nfs/dbraw/zinc/70/80/18/1137708018.db2.gz NRHYAGKRFZRFDL-IFUGULHKSA-N 1 2 346.254 3.564 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000878232025 1137708019 /nfs/dbraw/zinc/70/80/19/1137708019.db2.gz NRHYAGKRFZRFDL-IFUGULHKSA-N 1 2 346.254 3.564 20 0 EHADLO COC(=O)c1ccc(OC)c(C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000878351282 1137712014 /nfs/dbraw/zinc/71/20/14/1137712014.db2.gz VBENHPZTXKZBCD-LLVKDONJSA-N 1 2 335.350 3.611 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000878358591 1137712515 /nfs/dbraw/zinc/71/25/15/1137712515.db2.gz QGYJNKRLNKTYJJ-AWEZNQCLSA-N 1 2 339.439 3.531 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(C)c(Cl)n1)c1ccc(F)c(F)c1 ZINC000878370403 1137713163 /nfs/dbraw/zinc/71/31/63/1137713163.db2.gz VHYSXVODKJXFJJ-HNNXBMFYSA-N 1 2 326.774 3.799 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1cccc(F)c1F ZINC000878375922 1137713443 /nfs/dbraw/zinc/71/34/43/1137713443.db2.gz KQMVCUJXJJWGBZ-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO CC(C)(CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)CC(F)F ZINC000878417494 1137715137 /nfs/dbraw/zinc/71/51/37/1137715137.db2.gz CLCIZSPZPOJMPX-UHFFFAOYSA-N 1 2 339.361 3.699 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)cn1 ZINC000878502484 1137718154 /nfs/dbraw/zinc/71/81/54/1137718154.db2.gz BSWJHJJTELTWCS-UHFFFAOYSA-N 1 2 344.308 3.876 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2c(C)nn(C)c2Cl)c2ccccc21 ZINC000878522959 1137718812 /nfs/dbraw/zinc/71/88/12/1137718812.db2.gz ZAIUMJAXFNEZLF-UHFFFAOYSA-N 1 2 344.846 3.571 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2c(C)nn(C)c2Cl)c2ccccc21 ZINC000878522959 1137718813 /nfs/dbraw/zinc/71/88/13/1137718813.db2.gz ZAIUMJAXFNEZLF-UHFFFAOYSA-N 1 2 344.846 3.571 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)co1 ZINC000878570026 1137720681 /nfs/dbraw/zinc/72/06/81/1137720681.db2.gz RXXUKFFYRRLENS-KGLIPLIRSA-N 1 2 337.345 3.852 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)co1 ZINC000878570026 1137720682 /nfs/dbraw/zinc/72/06/82/1137720682.db2.gz RXXUKFFYRRLENS-KGLIPLIRSA-N 1 2 337.345 3.852 20 0 EHADLO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000878606327 1137722103 /nfs/dbraw/zinc/72/21/03/1137722103.db2.gz NZXLOSFLAYVHQQ-LJQANCHMSA-N 1 2 341.455 3.591 20 0 EHADLO CC1(C)CCc2onc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2C1 ZINC000878631505 1137723142 /nfs/dbraw/zinc/72/31/42/1137723142.db2.gz HCAMSUVLUFMWBV-ZWKOTPCHSA-N 1 2 330.472 3.723 20 0 EHADLO CC1(C)CCc2onc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2C1 ZINC000878631505 1137723143 /nfs/dbraw/zinc/72/31/43/1137723143.db2.gz HCAMSUVLUFMWBV-ZWKOTPCHSA-N 1 2 330.472 3.723 20 0 EHADLO CCOC1(C)CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878639511 1137723343 /nfs/dbraw/zinc/72/33/43/1137723343.db2.gz MFFVICAEFCNCLY-AWEZNQCLSA-N 1 2 338.879 3.866 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000878658535 1137724034 /nfs/dbraw/zinc/72/40/34/1137724034.db2.gz YWMGAUSIKPAUIU-HOCLYGCPSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000878658535 1137724035 /nfs/dbraw/zinc/72/40/35/1137724035.db2.gz YWMGAUSIKPAUIU-HOCLYGCPSA-N 1 2 338.879 3.722 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1c[nH]cc1C1CC1 ZINC000878768481 1137727655 /nfs/dbraw/zinc/72/76/55/1137727655.db2.gz WOWHJIISKGFLNM-UHFFFAOYSA-N 1 2 338.455 3.598 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000878803736 1137728687 /nfs/dbraw/zinc/72/86/87/1137728687.db2.gz GCEKQVHNSVKXHH-HUUCEWRRSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000878803736 1137728688 /nfs/dbraw/zinc/72/86/88/1137728688.db2.gz GCEKQVHNSVKXHH-HUUCEWRRSA-N 1 2 338.879 3.865 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878814080 1137729030 /nfs/dbraw/zinc/72/90/30/1137729030.db2.gz WSPNSDDNPALEGA-TZMCWYRMSA-N 1 2 349.299 3.651 20 0 EHADLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000878814080 1137729031 /nfs/dbraw/zinc/72/90/31/1137729031.db2.gz WSPNSDDNPALEGA-TZMCWYRMSA-N 1 2 349.299 3.651 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001137139699 1137734874 /nfs/dbraw/zinc/73/48/74/1137734874.db2.gz PKFLZHGWSSSWNH-OAQYLSRUSA-N 1 2 336.479 3.889 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001137139699 1137734875 /nfs/dbraw/zinc/73/48/75/1137734875.db2.gz PKFLZHGWSSSWNH-OAQYLSRUSA-N 1 2 336.479 3.889 20 0 EHADLO c1ccc2sc(C[N@H+]3Cc4cccnc4N4CCC[C@@H]4C3)nc2c1 ZINC000879497881 1137749361 /nfs/dbraw/zinc/74/93/61/1137749361.db2.gz JEECJGCFVVUVQZ-OAHLLOKOSA-N 1 2 336.464 3.676 20 0 EHADLO c1ccc2sc(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)nc2c1 ZINC000879497881 1137749362 /nfs/dbraw/zinc/74/93/62/1137749362.db2.gz JEECJGCFVVUVQZ-OAHLLOKOSA-N 1 2 336.464 3.676 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC[C@H](CF)C3)ccc21 ZINC000879722607 1137756532 /nfs/dbraw/zinc/75/65/32/1137756532.db2.gz WVVAGTUQWYSIMJ-CYBMUJFWSA-N 1 2 330.407 3.514 20 0 EHADLO C[C@H]1C[N@H+](Cc2nsc3ccccc23)CC[C@@H](C(F)(F)F)O1 ZINC000880062851 1137766936 /nfs/dbraw/zinc/76/69/36/1137766936.db2.gz CBEZJTMHMRZSMO-HZMBPMFUSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nsc3ccccc23)CC[C@@H](C(F)(F)F)O1 ZINC000880062851 1137766937 /nfs/dbraw/zinc/76/69/37/1137766937.db2.gz CBEZJTMHMRZSMO-HZMBPMFUSA-N 1 2 330.375 3.838 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086829 1137767741 /nfs/dbraw/zinc/76/77/41/1137767741.db2.gz LLKGUFMBGIIVPO-CQSZACIVSA-N 1 2 335.835 3.638 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086829 1137767742 /nfs/dbraw/zinc/76/77/42/1137767742.db2.gz LLKGUFMBGIIVPO-CQSZACIVSA-N 1 2 335.835 3.638 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086828 1137767746 /nfs/dbraw/zinc/76/77/46/1137767746.db2.gz LLKGUFMBGIIVPO-AWEZNQCLSA-N 1 2 335.835 3.638 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)no1 ZINC000880086828 1137767747 /nfs/dbraw/zinc/76/77/47/1137767747.db2.gz LLKGUFMBGIIVPO-AWEZNQCLSA-N 1 2 335.835 3.638 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1nc(C)c(C)s1)CC2 ZINC000880089546 1137767876 /nfs/dbraw/zinc/76/78/76/1137767876.db2.gz GKEHPZAVQYQIDM-GFCCVEGCSA-N 1 2 332.469 3.896 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1nc(C)c(C)s1)CC2 ZINC000880089546 1137767877 /nfs/dbraw/zinc/76/78/77/1137767877.db2.gz GKEHPZAVQYQIDM-GFCCVEGCSA-N 1 2 332.469 3.896 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000880303438 1137773981 /nfs/dbraw/zinc/77/39/81/1137773981.db2.gz OCEVIVTVNZFQMD-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000880303438 1137773982 /nfs/dbraw/zinc/77/39/82/1137773982.db2.gz OCEVIVTVNZFQMD-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO FC[C@@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000880301654 1137774012 /nfs/dbraw/zinc/77/40/12/1137774012.db2.gz WINXNBJLBBLODA-VIFPVBQESA-N 1 2 330.190 3.835 20 0 EHADLO FC[C@@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000880301654 1137774013 /nfs/dbraw/zinc/77/40/13/1137774013.db2.gz WINXNBJLBBLODA-VIFPVBQESA-N 1 2 330.190 3.835 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000880301991 1137774068 /nfs/dbraw/zinc/77/40/68/1137774068.db2.gz AQUVFRWGVYQAGN-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000880301991 1137774069 /nfs/dbraw/zinc/77/40/69/1137774069.db2.gz AQUVFRWGVYQAGN-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319821 1137775118 /nfs/dbraw/zinc/77/51/18/1137775118.db2.gz KXDOESYQKHQYFQ-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319821 1137775119 /nfs/dbraw/zinc/77/51/19/1137775119.db2.gz KXDOESYQKHQYFQ-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000880375564 1137777140 /nfs/dbraw/zinc/77/71/40/1137777140.db2.gz GTZQUFBMZYAOSX-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000880375564 1137777141 /nfs/dbraw/zinc/77/71/41/1137777141.db2.gz GTZQUFBMZYAOSX-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO c1ccc([C@H]2CSCCC[N@H+]2Cc2nnc3n2CCCCC3)cc1 ZINC000880389762 1137777588 /nfs/dbraw/zinc/77/75/88/1137777588.db2.gz ZLJBMORXGOSJPM-QGZVFWFLSA-N 1 2 342.512 3.685 20 0 EHADLO c1ccc([C@H]2CSCCC[N@@H+]2Cc2nnc3n2CCCCC3)cc1 ZINC000880389762 1137777589 /nfs/dbraw/zinc/77/75/89/1137777589.db2.gz ZLJBMORXGOSJPM-QGZVFWFLSA-N 1 2 342.512 3.685 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(C)cs2)Cc2nn(CC3CC3)cc21 ZINC001137154489 1137779721 /nfs/dbraw/zinc/77/97/21/1137779721.db2.gz IZICRMXWLNXAQT-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)cs2)Cc2nn(CC3CC3)cc21 ZINC001137154489 1137779722 /nfs/dbraw/zinc/77/97/22/1137779722.db2.gz IZICRMXWLNXAQT-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000128517805 1137781894 /nfs/dbraw/zinc/78/18/94/1137781894.db2.gz LBBSITZHXFMBNE-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(C2CC2)cc1F ZINC000880742425 1137787716 /nfs/dbraw/zinc/78/77/16/1137787716.db2.gz DXRTZZYTRCHDOY-UHFFFAOYSA-N 1 2 342.418 3.600 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626134224 1137791064 /nfs/dbraw/zinc/79/10/64/1137791064.db2.gz CPGLNILDYUFWSZ-BEFAXECRSA-N 1 2 342.487 3.521 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626134224 1137791065 /nfs/dbraw/zinc/79/10/65/1137791065.db2.gz CPGLNILDYUFWSZ-BEFAXECRSA-N 1 2 342.487 3.521 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000881069102 1137799583 /nfs/dbraw/zinc/79/95/83/1137799583.db2.gz GFXXWDBKYGUFOZ-QGZVFWFLSA-N 1 2 340.427 3.572 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000881069158 1137799643 /nfs/dbraw/zinc/79/96/43/1137799643.db2.gz HRASPBXALRPXEC-HNNXBMFYSA-N 1 2 340.427 3.641 20 0 EHADLO OC1(Cc2ccccc2)CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137885306 1137801674 /nfs/dbraw/zinc/80/16/74/1137801674.db2.gz HFPKHYJGIQESMS-UHFFFAOYSA-N 1 2 335.369 3.674 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1C(C)C ZINC000881193374 1137803163 /nfs/dbraw/zinc/80/31/63/1137803163.db2.gz YFWXLCSABVSURD-OAHLLOKOSA-N 1 2 342.443 3.542 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC000881661367 1137813317 /nfs/dbraw/zinc/81/33/17/1137813317.db2.gz JSJJNWPKBRASSS-MRXNPFEDSA-N 1 2 345.874 3.801 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000888903748 1137819808 /nfs/dbraw/zinc/81/98/08/1137819808.db2.gz COFQHVSUTPWEPW-GUDVDZBRSA-N 1 2 337.467 3.678 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1C ZINC000882178675 1137822899 /nfs/dbraw/zinc/82/28/99/1137822899.db2.gz JNJSIDICCXFTFQ-QGZVFWFLSA-N 1 2 327.428 3.928 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000129649638 1137826846 /nfs/dbraw/zinc/82/68/46/1137826846.db2.gz LQIDJHCQFSKIPJ-UHFFFAOYSA-N 1 2 345.512 3.860 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC000882871555 1137836196 /nfs/dbraw/zinc/83/61/96/1137836196.db2.gz JMCGXQUZTKJZKH-JKSUJKDBSA-N 1 2 333.382 3.566 20 0 EHADLO O=C(CCCc1cccs1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882874352 1137836350 /nfs/dbraw/zinc/83/63/50/1137836350.db2.gz AWLAGKFIICMGPT-GOSISDBHSA-N 1 2 339.464 3.825 20 0 EHADLO Cn1nc2c(c1C[NH2+]C1(c3c(F)cccc3F)CCC1)CSCC2 ZINC000883192133 1137847981 /nfs/dbraw/zinc/84/79/81/1137847981.db2.gz RRJLRMNMFXUPHA-UHFFFAOYSA-N 1 2 349.450 3.657 20 0 EHADLO COc1ccc(C2CC2)cc1C[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000883257592 1137850913 /nfs/dbraw/zinc/85/09/13/1137850913.db2.gz GEZSBKRUNZRYCQ-UHFFFAOYSA-N 1 2 340.254 3.903 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)n1 ZINC000883275001 1137851887 /nfs/dbraw/zinc/85/18/87/1137851887.db2.gz CJQWBFOFTSUYKL-GXFFZTMASA-N 1 2 341.274 3.598 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CCCC2 ZINC000131490400 1137854497 /nfs/dbraw/zinc/85/44/97/1137854497.db2.gz FIKAXVATNVPJFM-OAHLLOKOSA-N 1 2 331.485 3.614 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CCCC2 ZINC000131490400 1137854498 /nfs/dbraw/zinc/85/44/98/1137854498.db2.gz FIKAXVATNVPJFM-OAHLLOKOSA-N 1 2 331.485 3.614 20 0 EHADLO CC1(C)SC(=O)N(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000132445761 1137866323 /nfs/dbraw/zinc/86/63/23/1137866323.db2.gz JKBWCEBBGYZJDL-OAHLLOKOSA-N 1 2 330.453 3.570 20 0 EHADLO CC1(C)SC(=O)N(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000132445761 1137866324 /nfs/dbraw/zinc/86/63/24/1137866324.db2.gz JKBWCEBBGYZJDL-OAHLLOKOSA-N 1 2 330.453 3.570 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3nccc3-c3ccncc3)CCC2)c(F)c1 ZINC000132619555 1137867730 /nfs/dbraw/zinc/86/77/30/1137867730.db2.gz ZKGBJNSUHAWYOW-UHFFFAOYSA-N 1 2 340.377 3.850 20 0 EHADLO Cc1cccc2ncc(C[NH+]3CCN(c4ccccc4Cl)CC3)n21 ZINC001137197889 1137873890 /nfs/dbraw/zinc/87/38/90/1137873890.db2.gz RXAYHLCMCBOMNE-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000104705877 1137879106 /nfs/dbraw/zinc/87/91/06/1137879106.db2.gz JJRJTFSPNXVEJW-INIZCTEOSA-N 1 2 333.432 3.872 20 0 EHADLO C=C/C=C\CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000883914870 1137879359 /nfs/dbraw/zinc/87/93/59/1137879359.db2.gz BQPZVMNFRQICRQ-RAEMOODJSA-N 1 2 336.439 3.543 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(Cl)ccc1F ZINC000104981364 1137879809 /nfs/dbraw/zinc/87/98/09/1137879809.db2.gz AGOCUDABVNOZIT-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348252477 1137880960 /nfs/dbraw/zinc/88/09/60/1137880960.db2.gz CHBKNWGEBAJJQM-ZDUSSCGKSA-N 1 2 341.361 3.968 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)c(OC)c1 ZINC000107297949 1137886085 /nfs/dbraw/zinc/88/60/85/1137886085.db2.gz QLBCAWAZXUMAEF-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)c(OC)c1 ZINC000107297949 1137886086 /nfs/dbraw/zinc/88/60/86/1137886086.db2.gz QLBCAWAZXUMAEF-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO Cc1csc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1Cl ZINC000348262007 1137886382 /nfs/dbraw/zinc/88/63/82/1137886382.db2.gz QAPXXAXKTLVYRL-UHFFFAOYSA-N 1 2 345.855 3.885 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1C ZINC000331385764 1137892665 /nfs/dbraw/zinc/89/26/65/1137892665.db2.gz HUTKVXWQHHKNBK-UHFFFAOYSA-N 1 2 346.862 3.854 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)cs1 ZINC000111375594 1137904303 /nfs/dbraw/zinc/90/43/03/1137904303.db2.gz YYXYUPGGOBEQKX-GJZGRUSLSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000111376614 1137904576 /nfs/dbraw/zinc/90/45/76/1137904576.db2.gz JXTJNXQPWUGYDG-UWVGGRQHSA-N 1 2 339.411 3.662 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000114750405 1137918799 /nfs/dbraw/zinc/91/87/99/1137918799.db2.gz LCGLBUVKZDYQAW-GHMZBOCLSA-N 1 2 343.349 3.985 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2)cs1 ZINC000348306364 1137925225 /nfs/dbraw/zinc/92/52/25/1137925225.db2.gz DLJKNPUAXYCQGB-KGLIPLIRSA-N 1 2 331.485 3.576 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c(C)o1 ZINC000332179215 1137934631 /nfs/dbraw/zinc/93/46/31/1137934631.db2.gz RMEDKPFSRCDCBY-SNVBAGLBSA-N 1 2 330.457 3.951 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000119028695 1137937431 /nfs/dbraw/zinc/93/74/31/1137937431.db2.gz QTUDFGVATUSDLO-QGZVFWFLSA-N 1 2 342.487 3.671 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000119835419 1137944661 /nfs/dbraw/zinc/94/46/61/1137944661.db2.gz XKNAKJFTADMWRY-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000119835419 1137944662 /nfs/dbraw/zinc/94/46/62/1137944662.db2.gz XKNAKJFTADMWRY-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000120338603 1137948748 /nfs/dbraw/zinc/94/87/48/1137948748.db2.gz IEUDJGDKGZXUQK-UHFFFAOYSA-N 1 2 339.483 3.977 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000333041894 1137953620 /nfs/dbraw/zinc/95/36/20/1137953620.db2.gz JPRBGDKXGVYHQH-UHFFFAOYSA-N 1 2 328.391 3.838 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000333119402 1137955876 /nfs/dbraw/zinc/95/58/76/1137955876.db2.gz GWOQUWGVJWUXFA-OAHLLOKOSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333200220 1137958010 /nfs/dbraw/zinc/95/80/10/1137958010.db2.gz YUSCEVNMIBLHEM-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333200220 1137958011 /nfs/dbraw/zinc/95/80/11/1137958011.db2.gz YUSCEVNMIBLHEM-CYBMUJFWSA-N 1 2 347.846 3.545 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2cccnc21 ZINC000885362031 1137996865 /nfs/dbraw/zinc/99/68/65/1137996865.db2.gz OOTDGUNELDYQGZ-QZTJIDSGSA-N 1 2 346.434 3.521 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(COC(C)(C)C)c2)c[nH+]1 ZINC000885616456 1138012280 /nfs/dbraw/zinc/01/22/80/1138012280.db2.gz GJVDIZLPTKZZEZ-UHFFFAOYSA-N 1 2 329.444 3.880 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000886086485 1138038962 /nfs/dbraw/zinc/03/89/62/1138038962.db2.gz JUFVMGURHJOADN-UHFFFAOYSA-N 1 2 339.794 3.795 20 0 EHADLO c1coc(-c2noc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)n2)c1 ZINC000053232220 1138046410 /nfs/dbraw/zinc/04/64/10/1138046410.db2.gz CCCVMCSTPNKXSW-INIZCTEOSA-N 1 2 339.395 3.511 20 0 EHADLO c1coc(-c2noc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)n2)c1 ZINC000053232220 1138046413 /nfs/dbraw/zinc/04/64/13/1138046413.db2.gz CCCVMCSTPNKXSW-INIZCTEOSA-N 1 2 339.395 3.511 20 0 EHADLO Cc1n[nH]c(C[NH2+][C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1C ZINC000886171779 1138055288 /nfs/dbraw/zinc/05/52/88/1138055288.db2.gz OBHJXEMYIXMZCI-MRXNPFEDSA-N 1 2 341.286 3.726 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c(F)c1OC ZINC000886188357 1138057137 /nfs/dbraw/zinc/05/71/37/1138057137.db2.gz QDIPEIULOQIYEF-MAUKXSAKSA-N 1 2 333.378 3.958 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCSC(F)(F)F ZINC000886206450 1138059052 /nfs/dbraw/zinc/05/90/52/1138059052.db2.gz TXEHHQQCGPJSBM-SNVBAGLBSA-N 1 2 334.411 3.565 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCSC(F)(F)F ZINC000886206450 1138059053 /nfs/dbraw/zinc/05/90/53/1138059053.db2.gz TXEHHQQCGPJSBM-SNVBAGLBSA-N 1 2 334.411 3.565 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OCc2ccncc2)onc1C1CC1 ZINC000886271919 1138063391 /nfs/dbraw/zinc/06/33/91/1138063391.db2.gz ARQQVLLNDLSQSH-UHFFFAOYSA-N 1 2 335.407 3.816 20 0 EHADLO C[C@H](c1nnc(SC/C=C/Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000066316695 1138074976 /nfs/dbraw/zinc/07/49/76/1138074976.db2.gz CHQDOTQUOGEJJY-VCFDLTMXSA-N 1 2 340.855 3.874 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@H](CO)c2ccccc2C)n1 ZINC000886430324 1138075645 /nfs/dbraw/zinc/07/56/45/1138075645.db2.gz KGMGCQQCTPHPJH-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)[C@H](CO)c2ccccc2C)n1 ZINC000886430324 1138075647 /nfs/dbraw/zinc/07/56/47/1138075647.db2.gz KGMGCQQCTPHPJH-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)[C@@H](CO)c3ccccc3C)n2)c1 ZINC000886432394 1138076210 /nfs/dbraw/zinc/07/62/10/1138076210.db2.gz XGBWWJWZYVQXGB-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)[C@@H](CO)c3ccccc3C)n2)c1 ZINC000886432394 1138076212 /nfs/dbraw/zinc/07/62/12/1138076212.db2.gz XGBWWJWZYVQXGB-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000886542955 1138093822 /nfs/dbraw/zinc/09/38/22/1138093822.db2.gz IKJGZWNCKIEOAV-DYVFJYSZSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000886542955 1138093825 /nfs/dbraw/zinc/09/38/25/1138093825.db2.gz IKJGZWNCKIEOAV-DYVFJYSZSA-N 1 2 330.453 3.903 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678613 1138113186 /nfs/dbraw/zinc/11/31/86/1138113186.db2.gz HMGLTGZTZAJLBB-OAHLLOKOSA-N 1 2 328.485 3.970 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886678613 1138113187 /nfs/dbraw/zinc/11/31/87/1138113187.db2.gz HMGLTGZTZAJLBB-OAHLLOKOSA-N 1 2 328.485 3.970 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)n1 ZINC000886691304 1138116396 /nfs/dbraw/zinc/11/63/96/1138116396.db2.gz AXENGOUYIAIGHO-GFCCVEGCSA-N 1 2 334.514 3.635 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)n1 ZINC000886691304 1138116397 /nfs/dbraw/zinc/11/63/97/1138116397.db2.gz AXENGOUYIAIGHO-GFCCVEGCSA-N 1 2 334.514 3.635 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000886811199 1138146973 /nfs/dbraw/zinc/14/69/73/1138146973.db2.gz NLDFUABSADOMNJ-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000886811199 1138146976 /nfs/dbraw/zinc/14/69/76/1138146976.db2.gz NLDFUABSADOMNJ-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996682 1138129688 /nfs/dbraw/zinc/12/96/88/1138129688.db2.gz DRRDSZCUGOEISE-SECBINFHSA-N 1 2 336.304 3.566 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000886757438 1138132939 /nfs/dbraw/zinc/13/29/39/1138132939.db2.gz HDUOAEDXVZWDTN-HNNXBMFYSA-N 1 2 330.501 3.861 20 0 EHADLO CSCc1nnc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000886757438 1138132941 /nfs/dbraw/zinc/13/29/41/1138132941.db2.gz HDUOAEDXVZWDTN-HNNXBMFYSA-N 1 2 330.501 3.861 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1c(F)cccc1F ZINC000079102850 1138154499 /nfs/dbraw/zinc/15/44/99/1138154499.db2.gz TZJSQEYTGYVKKG-UHFFFAOYSA-N 1 2 346.381 3.672 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2nc(C3CC3)no2)cc1OC ZINC000079303305 1138155237 /nfs/dbraw/zinc/15/52/37/1138155237.db2.gz RLRDGXNDIZYJJF-VXGBXAGGSA-N 1 2 331.416 3.684 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000080396197 1138162352 /nfs/dbraw/zinc/16/23/52/1138162352.db2.gz LHWYZRRKYNBPMD-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO C[C@H](NC(=O)N(C)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551148 1138163460 /nfs/dbraw/zinc/16/34/60/1138163460.db2.gz QSXHXCGCUHPJCB-HNNXBMFYSA-N 1 2 326.444 3.907 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cnccc1Cl ZINC001137231856 1138180358 /nfs/dbraw/zinc/18/03/58/1138180358.db2.gz VNISFTFNFNQETJ-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cnccc1Cl ZINC001137231856 1138180359 /nfs/dbraw/zinc/18/03/59/1138180359.db2.gz VNISFTFNFNQETJ-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccco1 ZINC000090534257 1138211496 /nfs/dbraw/zinc/21/14/96/1138211496.db2.gz STHKMSQOUWLENN-OXQOHEQNSA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cc[nH]n3)CC2)cc1 ZINC000092032524 1138224220 /nfs/dbraw/zinc/22/42/20/1138224220.db2.gz DCVHKLMRLMVMPD-UHFFFAOYSA-N 1 2 325.456 3.703 20 0 EHADLO Cc1nn(C)cc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000093763861 1138240699 /nfs/dbraw/zinc/24/06/99/1138240699.db2.gz KKRIBVYKTQGVBU-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO Cc1nn(C)cc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000093763861 1138240701 /nfs/dbraw/zinc/24/07/01/1138240701.db2.gz KKRIBVYKTQGVBU-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnccc2Cl)[C@H](c2ccccc2)C1 ZINC001137239127 1138242017 /nfs/dbraw/zinc/24/20/17/1138242017.db2.gz HYZXUNNLQQTTMP-QAPCUYQASA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnccc2Cl)[C@H](c2ccccc2)C1 ZINC001137239127 1138242019 /nfs/dbraw/zinc/24/20/19/1138242019.db2.gz HYZXUNNLQQTTMP-QAPCUYQASA-N 1 2 344.842 3.861 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2C)s1 ZINC000122151477 1138254907 /nfs/dbraw/zinc/25/49/07/1138254907.db2.gz OOWKTWXNYXETOC-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C)s1 ZINC000122151477 1138254909 /nfs/dbraw/zinc/25/49/09/1138254909.db2.gz OOWKTWXNYXETOC-CQSZACIVSA-N 1 2 331.485 3.954 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122908850 1138264118 /nfs/dbraw/zinc/26/41/18/1138264118.db2.gz HSFGTKXNFWJQBC-TXPKVOOTSA-N 1 2 341.455 3.784 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]C[C@@H]3CCCO3)c3ccccc3)n2)cc1 ZINC000122934014 1138264494 /nfs/dbraw/zinc/26/44/94/1138264494.db2.gz KMJJTQHGMFOGQK-ZWKOTPCHSA-N 1 2 335.407 3.595 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)csc2C1 ZINC000123110694 1138266368 /nfs/dbraw/zinc/26/63/68/1138266368.db2.gz SPSLCXAYJJMRKU-CKEIUWERSA-N 1 2 343.496 3.793 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000123326951 1138268878 /nfs/dbraw/zinc/26/88/78/1138268878.db2.gz AWRCBPQHKDTISF-IUODEOHRSA-N 1 2 337.345 3.625 20 0 EHADLO CC(C)[C@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000333772821 1138330915 /nfs/dbraw/zinc/33/09/15/1138330915.db2.gz SDAOSUJZZVVLDW-GOSISDBHSA-N 1 2 338.455 3.698 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127087352 1138346411 /nfs/dbraw/zinc/34/64/11/1138346411.db2.gz ORGVNQSZOVAJTN-WMLDXEAASA-N 1 2 326.444 3.869 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000263717521 1138348595 /nfs/dbraw/zinc/34/85/95/1138348595.db2.gz OBYQTSOUOOMFDO-RHSMWYFYSA-N 1 2 329.444 3.719 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000263717521 1138348598 /nfs/dbraw/zinc/34/85/98/1138348598.db2.gz OBYQTSOUOOMFDO-RHSMWYFYSA-N 1 2 329.444 3.719 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000263731211 1138351844 /nfs/dbraw/zinc/35/18/44/1138351844.db2.gz PZHUFBXMUCVZEH-NRFANRHFSA-N 1 2 347.462 3.677 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000263731211 1138351847 /nfs/dbraw/zinc/35/18/47/1138351847.db2.gz PZHUFBXMUCVZEH-NRFANRHFSA-N 1 2 347.462 3.677 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000127725709 1138368275 /nfs/dbraw/zinc/36/82/75/1138368275.db2.gz CYJOMINRCZZFJX-SJORKVTESA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000127725709 1138368276 /nfs/dbraw/zinc/36/82/76/1138368276.db2.gz CYJOMINRCZZFJX-SJORKVTESA-N 1 2 325.456 3.569 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000127749629 1138369760 /nfs/dbraw/zinc/36/97/60/1138369760.db2.gz QUTNWFYBOYMGOI-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000127749629 1138369765 /nfs/dbraw/zinc/36/97/65/1138369765.db2.gz QUTNWFYBOYMGOI-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263865402 1138383245 /nfs/dbraw/zinc/38/32/45/1138383245.db2.gz WGMKTRQOKVURHT-QGZVFWFLSA-N 1 2 326.444 3.840 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263908554 1138390755 /nfs/dbraw/zinc/39/07/55/1138390755.db2.gz AOLFLPODVBIENA-QGZVFWFLSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1ccc(CN(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000263907101 1138390933 /nfs/dbraw/zinc/39/09/33/1138390933.db2.gz LAPXUTDKZBMTFI-UHFFFAOYSA-N 1 2 348.472 3.694 20 0 EHADLO O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263942276 1138396113 /nfs/dbraw/zinc/39/61/13/1138396113.db2.gz JUIODDUCTVPSGO-LBPRGKRZSA-N 1 2 337.395 3.744 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000263961483 1138398706 /nfs/dbraw/zinc/39/87/06/1138398706.db2.gz QOAHVRSKHZDJNQ-SJORKVTESA-N 1 2 326.444 3.696 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000128863420 1138399625 /nfs/dbraw/zinc/39/96/25/1138399625.db2.gz XPBFWZUSHZQITH-CHWSQXEVSA-N 1 2 334.407 3.840 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(CC)nn1 ZINC000887547393 1138411701 /nfs/dbraw/zinc/41/17/01/1138411701.db2.gz HMFHTZQARLJDDW-GOSISDBHSA-N 1 2 330.476 3.964 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1nccn1CC(F)(F)F ZINC000264074590 1138414368 /nfs/dbraw/zinc/41/43/68/1138414368.db2.gz MVVYTXVXKIWEAM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nccn1CC(F)(F)F ZINC000264074590 1138414369 /nfs/dbraw/zinc/41/43/69/1138414369.db2.gz MVVYTXVXKIWEAM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264185184 1138436946 /nfs/dbraw/zinc/43/69/46/1138436946.db2.gz KZSHZFNAYTVWPQ-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264185184 1138436947 /nfs/dbraw/zinc/43/69/47/1138436947.db2.gz KZSHZFNAYTVWPQ-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000264205769 1138442647 /nfs/dbraw/zinc/44/26/47/1138442647.db2.gz IGOIANSYXAEMGM-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264267939 1138459470 /nfs/dbraw/zinc/45/94/70/1138459470.db2.gz UDJHSEOQIUUUDD-XHSDSOJGSA-N 1 2 333.476 3.636 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337124797 1138471860 /nfs/dbraw/zinc/47/18/60/1138471860.db2.gz IIABDGNVOBWDDQ-UHFFFAOYSA-N 1 2 333.435 3.982 20 0 EHADLO C[C@H](c1cccc(NC(=O)Nc2ccccc2)c1)[NH+]1CCOCC1 ZINC000264318528 1138474149 /nfs/dbraw/zinc/47/41/49/1138474149.db2.gz OOYDUSDDOFMAHE-OAHLLOKOSA-N 1 2 325.412 3.724 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337133215 1138474776 /nfs/dbraw/zinc/47/47/76/1138474776.db2.gz CDADUKVKPMDJTB-CVEARBPZSA-N 1 2 331.504 3.998 20 0 EHADLO CC(C)CCO[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000337137093 1138476194 /nfs/dbraw/zinc/47/61/94/1138476194.db2.gz PGDGORCGCDIPNW-KRWDZBQOSA-N 1 2 347.503 3.529 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccco2)Cc2cccc(C)c2)c(C)n1 ZINC000337149485 1138480027 /nfs/dbraw/zinc/48/00/27/1138480027.db2.gz HXZKFAMKZUZKRQ-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccco2)Cc2cccc(C)c2)c(C)n1 ZINC000337149485 1138480030 /nfs/dbraw/zinc/48/00/30/1138480030.db2.gz HXZKFAMKZUZKRQ-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO CC1(C)CC[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337163925 1138483130 /nfs/dbraw/zinc/48/31/30/1138483130.db2.gz WKVRLUYEDZGHAD-HOTGVXAUSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)nc(-c2ccccn2)n1 ZINC000264365622 1138489938 /nfs/dbraw/zinc/48/99/38/1138489938.db2.gz CKKOMSCVFZABLB-UHFFFAOYSA-N 1 2 332.411 3.586 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1OC(F)F ZINC000337198094 1138493028 /nfs/dbraw/zinc/49/30/28/1138493028.db2.gz ZHTPBOGYMBHKOF-CYBMUJFWSA-N 1 2 344.365 3.720 20 0 EHADLO CSc1ccsc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000337200844 1138493767 /nfs/dbraw/zinc/49/37/67/1138493767.db2.gz FJDOOCQVWXFQOI-UHFFFAOYSA-N 1 2 343.477 3.645 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000264476985 1138529383 /nfs/dbraw/zinc/52/93/83/1138529383.db2.gz HELJTJPDQLTVMW-CYBMUJFWSA-N 1 2 349.381 3.648 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCC2=CCCOC2)c1 ZINC000131875592 1138547822 /nfs/dbraw/zinc/54/78/22/1138547822.db2.gz SNBZNUFEQXWLAT-UHFFFAOYSA-N 1 2 329.469 3.534 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC2=CCCOC2)c1 ZINC000131875592 1138547825 /nfs/dbraw/zinc/54/78/25/1138547825.db2.gz SNBZNUFEQXWLAT-UHFFFAOYSA-N 1 2 329.469 3.534 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264579598 1138565288 /nfs/dbraw/zinc/56/52/88/1138565288.db2.gz UYCBEZWUVOQLPV-INIZCTEOSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264579603 1138565580 /nfs/dbraw/zinc/56/55/80/1138565580.db2.gz UYCBEZWUVOQLPV-MRXNPFEDSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(COc1ccsc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000337461307 1138576353 /nfs/dbraw/zinc/57/63/53/1138576353.db2.gz MIIQXTUVRQMXDD-UHFFFAOYSA-N 1 2 333.800 3.605 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000337537823 1138598864 /nfs/dbraw/zinc/59/88/64/1138598864.db2.gz HGUYWMPRDOAZPZ-UHFFFAOYSA-N 1 2 341.377 3.648 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000337537823 1138598867 /nfs/dbraw/zinc/59/88/67/1138598867.db2.gz HGUYWMPRDOAZPZ-UHFFFAOYSA-N 1 2 341.377 3.648 20 0 EHADLO CO[C@@H]1Cc2ccccc2N(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000337555757 1138604391 /nfs/dbraw/zinc/60/43/91/1138604391.db2.gz WDBHYKKKWULAMV-HXUWFJFHSA-N 1 2 333.435 3.758 20 0 EHADLO Cc1c(Cl)cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337590145 1138614827 /nfs/dbraw/zinc/61/48/27/1138614827.db2.gz MNFAZCGEIBEJPX-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000133022034 1138616952 /nfs/dbraw/zinc/61/69/52/1138616952.db2.gz PVPAXQNDEBHORQ-QGZVFWFLSA-N 1 2 328.460 3.702 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264736863 1138622437 /nfs/dbraw/zinc/62/24/37/1138622437.db2.gz OJTXXOOHQYIFJR-CQSZACIVSA-N 1 2 330.457 3.684 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000337692746 1138644716 /nfs/dbraw/zinc/64/47/16/1138644716.db2.gz VZAUUQRSOGASAW-UHFFFAOYSA-N 1 2 347.409 3.659 20 0 EHADLO CC(C)n1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000264911771 1138674343 /nfs/dbraw/zinc/67/43/43/1138674343.db2.gz PWVSCILJDZOAQU-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000337966252 1138710833 /nfs/dbraw/zinc/71/08/33/1138710833.db2.gz TZNGMPHUERSXJP-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000338003164 1138720800 /nfs/dbraw/zinc/72/08/00/1138720800.db2.gz HCHVIBGKKNDIJC-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265084921 1138722790 /nfs/dbraw/zinc/72/27/90/1138722790.db2.gz KLXURIAHIYFGNU-MRXNPFEDSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2cc(C(N)=O)co2)c2cccc(F)c2)c1 ZINC000338017923 1138724940 /nfs/dbraw/zinc/72/49/40/1138724940.db2.gz XYNZPVYFVOLKES-LJQANCHMSA-N 1 2 338.382 3.705 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCC1 ZINC000265128089 1138738339 /nfs/dbraw/zinc/73/83/39/1138738339.db2.gz ISHIRKIFNISGNV-UHFFFAOYSA-N 1 2 330.476 3.546 20 0 EHADLO O=C(CSc1ccncc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338114451 1138755662 /nfs/dbraw/zinc/75/56/62/1138755662.db2.gz JRNUSAXJXFWFBM-UHFFFAOYSA-N 1 2 344.827 3.652 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)o1 ZINC000265194136 1138761651 /nfs/dbraw/zinc/76/16/51/1138761651.db2.gz OTYWMQCYCFVLOD-UHFFFAOYSA-N 1 2 331.265 3.514 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000826584018 1138786136 /nfs/dbraw/zinc/78/61/36/1138786136.db2.gz CSTRZPVIQZBOQA-WOJBJXKFSA-N 1 2 347.462 3.885 20 0 EHADLO COc1cccc(Cl)c1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000338235967 1138797457 /nfs/dbraw/zinc/79/74/57/1138797457.db2.gz TUAQGPORLYGZJZ-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000338235967 1138797458 /nfs/dbraw/zinc/79/74/58/1138797458.db2.gz TUAQGPORLYGZJZ-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000338259850 1138804451 /nfs/dbraw/zinc/80/44/51/1138804451.db2.gz ZTQDDNAVRRYSGK-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000338260505 1138804831 /nfs/dbraw/zinc/80/48/31/1138804831.db2.gz HRNCYIJOEQELNE-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(SCc2ccccc2)cn1 ZINC000338293694 1138820087 /nfs/dbraw/zinc/82/00/87/1138820087.db2.gz AUWJKVBXQTXRHN-UHFFFAOYSA-N 1 2 338.436 3.599 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCCO[C@@H]2CCCCO2)cs1 ZINC000338314184 1138829496 /nfs/dbraw/zinc/82/94/96/1138829496.db2.gz IHEVFCGZYQOGFM-GOEBONIOSA-N 1 2 342.505 3.606 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCO[C@@H]2CCCCO2)cs1 ZINC000338314184 1138829501 /nfs/dbraw/zinc/82/95/01/1138829501.db2.gz IHEVFCGZYQOGFM-GOEBONIOSA-N 1 2 342.505 3.606 20 0 EHADLO CCn1ccnc1C[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000338364933 1138859268 /nfs/dbraw/zinc/85/92/68/1138859268.db2.gz AXFDEXSFZZVXKH-OAHLLOKOSA-N 1 2 343.471 3.721 20 0 EHADLO CCn1ccnc1C[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000338364933 1138859273 /nfs/dbraw/zinc/85/92/73/1138859273.db2.gz AXFDEXSFZZVXKH-OAHLLOKOSA-N 1 2 343.471 3.721 20 0 EHADLO Cc1ncc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338372734 1138865226 /nfs/dbraw/zinc/86/52/26/1138865226.db2.gz UCHQPJRIASQIJD-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1ncc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338372734 1138865237 /nfs/dbraw/zinc/86/52/37/1138865237.db2.gz UCHQPJRIASQIJD-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379933 1138874335 /nfs/dbraw/zinc/87/43/35/1138874335.db2.gz KRDDAHYGZLQDSC-CRAIPNDOSA-N 1 2 343.471 3.753 20 0 EHADLO CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379933 1138874346 /nfs/dbraw/zinc/87/43/46/1138874346.db2.gz KRDDAHYGZLQDSC-CRAIPNDOSA-N 1 2 343.471 3.753 20 0 EHADLO Cc1noc(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394530 1138886203 /nfs/dbraw/zinc/88/62/03/1138886203.db2.gz VUYNNRDXIXXWDP-UHFFFAOYSA-N 1 2 344.802 3.702 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265487854 1138923465 /nfs/dbraw/zinc/92/34/65/1138923465.db2.gz HDVXFGNUBNHIIP-OAQYLSRUSA-N 1 2 345.446 3.683 20 0 EHADLO C[C@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887873901 1138965553 /nfs/dbraw/zinc/96/55/53/1138965553.db2.gz VNMVPPLXVIZUAA-SXUUSABNSA-N 1 2 347.462 3.602 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccn2)CC1 ZINC000152087221 1139072376 /nfs/dbraw/zinc/07/23/76/1139072376.db2.gz GKJNUPUGNOPHRG-INIZCTEOSA-N 1 2 334.423 3.620 20 0 EHADLO CC(C)[C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152597262 1139099919 /nfs/dbraw/zinc/09/99/19/1139099919.db2.gz KZOWBHZXYNWEGQ-MOPGFXCFSA-N 1 2 337.467 3.606 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152848873 1139110784 /nfs/dbraw/zinc/11/07/84/1139110784.db2.gz WULUVOILVUSNPZ-DNVCBOLYSA-N 1 2 338.455 3.553 20 0 EHADLO C[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000153484064 1139138527 /nfs/dbraw/zinc/13/85/27/1139138527.db2.gz CDPLBXOQEZXBOI-GFCCVEGCSA-N 1 2 340.254 3.575 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507322 1139223337 /nfs/dbraw/zinc/22/33/37/1139223337.db2.gz RXYLKPXSGFRFSA-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cncs1 ZINC000889507322 1139223344 /nfs/dbraw/zinc/22/33/44/1139223344.db2.gz RXYLKPXSGFRFSA-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)c1 ZINC001137260071 1139301110 /nfs/dbraw/zinc/30/11/10/1139301110.db2.gz DQSJZJXAODEIJV-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO CCCN(CC(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264570 1139334074 /nfs/dbraw/zinc/33/40/74/1139334074.db2.gz GAUXHFKBPAFVJZ-GOSISDBHSA-N 1 2 328.460 3.702 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000175113316 1139464549 /nfs/dbraw/zinc/46/45/49/1139464549.db2.gz HEFPDCJGHSXYIP-OAHLLOKOSA-N 1 2 331.485 3.563 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000175113316 1139464552 /nfs/dbraw/zinc/46/45/52/1139464552.db2.gz HEFPDCJGHSXYIP-OAHLLOKOSA-N 1 2 331.485 3.563 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000175248834 1139475620 /nfs/dbraw/zinc/47/56/20/1139475620.db2.gz FHORNJGTOAETNL-QWHCGFSZSA-N 1 2 340.452 3.678 20 0 EHADLO C[N@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000350831099 1139479308 /nfs/dbraw/zinc/47/93/08/1139479308.db2.gz CMIMIGFJHXLECQ-OAHLLOKOSA-N 1 2 339.222 3.824 20 0 EHADLO C[N@@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000350831099 1139479310 /nfs/dbraw/zinc/47/93/10/1139479310.db2.gz CMIMIGFJHXLECQ-OAHLLOKOSA-N 1 2 339.222 3.824 20 0 EHADLO CCc1ccc2occ(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2c1 ZINC000350680337 1139492598 /nfs/dbraw/zinc/49/25/98/1139492598.db2.gz DBCCWPJTNJUCNO-UHFFFAOYSA-N 1 2 341.436 3.692 20 0 EHADLO CCc1ccc2occ(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2c1 ZINC000350680337 1139492604 /nfs/dbraw/zinc/49/26/04/1139492604.db2.gz DBCCWPJTNJUCNO-UHFFFAOYSA-N 1 2 341.436 3.692 20 0 EHADLO C/C(=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000177488299 1139622622 /nfs/dbraw/zinc/62/26/22/1139622622.db2.gz VRXYJTDHHICCDI-QPXUBEEGSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000177491475 1139622787 /nfs/dbraw/zinc/62/27/87/1139622787.db2.gz SZPSAFFIDPGMHF-SWLSCSKDSA-N 1 2 343.427 3.960 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000177543628 1139625251 /nfs/dbraw/zinc/62/52/51/1139625251.db2.gz POYYNXMHXBNMEY-DNVCBOLYSA-N 1 2 334.423 3.602 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)n2)cc1 ZINC000178713143 1139713881 /nfs/dbraw/zinc/71/38/81/1139713881.db2.gz ZSJKINXTISBZIU-HNNXBMFYSA-N 1 2 339.443 3.509 20 0 EHADLO Cc1ccc2[nH+]cc(CN[C@@H](C)c3nc(C4CCCCC4)no3)n2c1 ZINC000178916469 1139724385 /nfs/dbraw/zinc/72/43/85/1139724385.db2.gz HTQZEMCXWQCYRB-AWEZNQCLSA-N 1 2 339.443 3.924 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179507662 1139761552 /nfs/dbraw/zinc/76/15/52/1139761552.db2.gz OXYASABJEQQNGN-ZDUSSCGKSA-N 1 2 345.516 3.816 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179507662 1139761557 /nfs/dbraw/zinc/76/15/57/1139761557.db2.gz OXYASABJEQQNGN-ZDUSSCGKSA-N 1 2 345.516 3.816 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](CC)c2ccccc2OC(F)F)n1 ZINC000179715723 1139776723 /nfs/dbraw/zinc/77/67/23/1139776723.db2.gz SQEBQGUCCMMHRR-CYBMUJFWSA-N 1 2 337.370 3.587 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179738214 1139779375 /nfs/dbraw/zinc/77/93/75/1139779375.db2.gz UJYQXWJZQJNLDS-YVEFUNNKSA-N 1 2 343.427 3.766 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C2CC2)n1 ZINC000180270270 1139822795 /nfs/dbraw/zinc/82/27/95/1139822795.db2.gz LJDIEXRVXOCAAW-LJQANCHMSA-N 1 2 329.444 3.655 20 0 EHADLO c1cn(CCCSc2nnc(C3CC3)n2-c2ccccc2)c[nH+]1 ZINC000180429877 1139834840 /nfs/dbraw/zinc/83/48/40/1139834840.db2.gz SVLFJMHHEPOLHR-UHFFFAOYSA-N 1 2 325.441 3.524 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1Cl ZINC000181397848 1139904199 /nfs/dbraw/zinc/90/41/99/1139904199.db2.gz BJSVDFJXZBPHKZ-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1Cl ZINC000181397848 1139904202 /nfs/dbraw/zinc/90/42/02/1139904202.db2.gz BJSVDFJXZBPHKZ-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cccc(O)c3)n2)cc1 ZINC000181533462 1139913347 /nfs/dbraw/zinc/91/33/47/1139913347.db2.gz KKRQYLLHJPDKEW-OLZOCXBDSA-N 1 2 339.395 3.863 20 0 EHADLO CCCC[C@@H]([NH2+]Cc1nc([C@H](C)OC)no1)c1ccc(OC)cc1 ZINC000182142829 1139953417 /nfs/dbraw/zinc/95/34/17/1139953417.db2.gz ICSOADDOBAFSMW-XJKSGUPXSA-N 1 2 333.432 3.807 20 0 EHADLO Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000182299674 1139963679 /nfs/dbraw/zinc/96/36/79/1139963679.db2.gz LJQWEWKOADIOMH-UHFFFAOYSA-N 1 2 341.390 3.524 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)[C@@H](C)C(C)C ZINC000182416878 1139970745 /nfs/dbraw/zinc/97/07/45/1139970745.db2.gz APCYAEQXUOCWNC-ZDUSSCGKSA-N 1 2 332.473 3.657 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)[C@@H](C)C(C)C ZINC000182416878 1139970747 /nfs/dbraw/zinc/97/07/47/1139970747.db2.gz APCYAEQXUOCWNC-ZDUSSCGKSA-N 1 2 332.473 3.657 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000183291560 1140027784 /nfs/dbraw/zinc/02/77/84/1140027784.db2.gz UDUAKWUMOCMOIO-CQSZACIVSA-N 1 2 341.789 3.916 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc(F)c1F ZINC000183317981 1140028743 /nfs/dbraw/zinc/02/87/43/1140028743.db2.gz UIBNKKFIDVJUCK-JTQLQIEISA-N 1 2 328.309 3.855 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cc(-c3cnn(C)c3)no2)c1C ZINC000184094789 1140079120 /nfs/dbraw/zinc/07/91/20/1140079120.db2.gz BJOCUOYEZWRGHJ-UHFFFAOYSA-N 1 2 344.440 3.529 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1nc(C)cs1 ZINC000184373304 1140098756 /nfs/dbraw/zinc/09/87/56/1140098756.db2.gz OEIOHGCELKHAIW-LLVKDONJSA-N 1 2 348.497 3.607 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000184486475 1140105330 /nfs/dbraw/zinc/10/53/30/1140105330.db2.gz MJUMNWBLJWAMKS-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000184486475 1140105332 /nfs/dbraw/zinc/10/53/32/1140105332.db2.gz MJUMNWBLJWAMKS-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccco1 ZINC000184615667 1140111467 /nfs/dbraw/zinc/11/14/67/1140111467.db2.gz KXOIAHFYRXADRS-MRXNPFEDSA-N 1 2 330.428 3.627 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)ccc1C)c1ccc(C)o1 ZINC000184711619 1140116907 /nfs/dbraw/zinc/11/69/07/1140116907.db2.gz MLEDYINGKVMAFX-DOTOQJQBSA-N 1 2 330.428 3.509 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184836925 1140122365 /nfs/dbraw/zinc/12/23/65/1140122365.db2.gz SYDWAWBVYLJFEM-SFHVURJKSA-N 1 2 345.439 3.921 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000184974556 1140128393 /nfs/dbraw/zinc/12/83/93/1140128393.db2.gz GVMXMQGAPUIWTP-VXGBXAGGSA-N 1 2 337.876 3.633 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000186427006 1140203569 /nfs/dbraw/zinc/20/35/69/1140203569.db2.gz DIHPPVWIHWJEJC-HNNXBMFYSA-N 1 2 336.439 3.797 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000186802752 1140222051 /nfs/dbraw/zinc/22/20/51/1140222051.db2.gz ZQNCIBMAIMAMQY-CRAIPNDOSA-N 1 2 330.472 3.592 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OC ZINC000186818032 1140222869 /nfs/dbraw/zinc/22/28/69/1140222869.db2.gz GQPGIKKYLDVJGO-CYBMUJFWSA-N 1 2 348.443 3.858 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187045740 1140234992 /nfs/dbraw/zinc/23/49/92/1140234992.db2.gz UTRFJHSSOMVVES-CYBMUJFWSA-N 1 2 342.530 3.745 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187045740 1140234997 /nfs/dbraw/zinc/23/49/97/1140234997.db2.gz UTRFJHSSOMVVES-CYBMUJFWSA-N 1 2 342.530 3.745 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439413 1140255704 /nfs/dbraw/zinc/25/57/04/1140255704.db2.gz LJAHETWWIAGPLI-IRWQIABSSA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439413 1140255707 /nfs/dbraw/zinc/25/57/07/1140255707.db2.gz LJAHETWWIAGPLI-IRWQIABSSA-N 1 2 334.410 3.573 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000187531701 1140260043 /nfs/dbraw/zinc/26/00/43/1140260043.db2.gz CFVOBRSSEGLHGU-LJQANCHMSA-N 1 2 346.496 3.707 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000187531701 1140260049 /nfs/dbraw/zinc/26/00/49/1140260049.db2.gz CFVOBRSSEGLHGU-LJQANCHMSA-N 1 2 346.496 3.707 20 0 EHADLO CC[C@]1(CO)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000187533788 1140260274 /nfs/dbraw/zinc/26/02/74/1140260274.db2.gz VVAVDZCWPWSQSL-INIZCTEOSA-N 1 2 342.270 3.626 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000187533788 1140260278 /nfs/dbraw/zinc/26/02/78/1140260278.db2.gz VVAVDZCWPWSQSL-INIZCTEOSA-N 1 2 342.270 3.626 20 0 EHADLO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188760275 1140307052 /nfs/dbraw/zinc/30/70/52/1140307052.db2.gz FBKWMHGZDGDSTD-RDTXWAMCSA-N 1 2 339.439 3.640 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nccc(OC)c1OC)CCC2 ZINC000190905766 1140424648 /nfs/dbraw/zinc/42/46/48/1140424648.db2.gz UYTDWGUVPHXIIF-AWEZNQCLSA-N 1 2 347.484 3.627 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nccc(OC)c1OC)CCC2 ZINC000190905766 1140424650 /nfs/dbraw/zinc/42/46/50/1140424650.db2.gz UYTDWGUVPHXIIF-AWEZNQCLSA-N 1 2 347.484 3.627 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)nn1 ZINC000190914925 1140425192 /nfs/dbraw/zinc/42/51/92/1140425192.db2.gz KXPIRSRDMMRUMT-UHFFFAOYSA-N 1 2 337.427 3.510 20 0 EHADLO COCC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)Cc1cccnc1 ZINC000191235938 1140446069 /nfs/dbraw/zinc/44/60/69/1140446069.db2.gz PYCMOWAMGUTZFO-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)Cc1cccnc1 ZINC000191235938 1140446073 /nfs/dbraw/zinc/44/60/73/1140446073.db2.gz PYCMOWAMGUTZFO-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000191849151 1140489054 /nfs/dbraw/zinc/48/90/54/1140489054.db2.gz RHDULFUHAFFCPG-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C[C@@H]1C ZINC000191839773 1140489158 /nfs/dbraw/zinc/48/91/58/1140489158.db2.gz QZEARMHPOCLRCX-BBRMVZONSA-N 1 2 345.468 3.518 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C[C@@H]1C ZINC000191839773 1140489161 /nfs/dbraw/zinc/48/91/61/1140489161.db2.gz QZEARMHPOCLRCX-BBRMVZONSA-N 1 2 345.468 3.518 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000192259486 1140516537 /nfs/dbraw/zinc/51/65/37/1140516537.db2.gz FLZUZYGGKMKVQT-JKSUJKDBSA-N 1 2 345.512 3.858 20 0 EHADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCc1c[nH+]cn1C ZINC000193523123 1140578496 /nfs/dbraw/zinc/57/84/96/1140578496.db2.gz QASBQRYAPSZQJU-MRXNPFEDSA-N 1 2 340.471 3.679 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000193661923 1140582540 /nfs/dbraw/zinc/58/25/40/1140582540.db2.gz SEQQLUSCDFPXFB-IBGZPJMESA-N 1 2 325.456 3.791 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000195117672 1140631632 /nfs/dbraw/zinc/63/16/32/1140631632.db2.gz CVWYTUIXDUXKHL-OAHLLOKOSA-N 1 2 336.439 3.783 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)c1 ZINC000266169299 1140650465 /nfs/dbraw/zinc/65/04/65/1140650465.db2.gz QIUGVZSEEOXHRE-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO c1oc(-c2ccccc2)nc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000266210368 1140655512 /nfs/dbraw/zinc/65/55/12/1140655512.db2.gz GBUCKDWVJOVPJX-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO c1oc(-c2ccccc2)nc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000266210368 1140655515 /nfs/dbraw/zinc/65/55/15/1140655515.db2.gz GBUCKDWVJOVPJX-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC000266212977 1140655978 /nfs/dbraw/zinc/65/59/78/1140655978.db2.gz OYZGIAIIHHLTKX-UHFFFAOYSA-N 1 2 334.338 3.737 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cs1 ZINC000266609253 1140708146 /nfs/dbraw/zinc/70/81/46/1140708146.db2.gz VLDAJFFTJYNMSU-AWEZNQCLSA-N 1 2 347.509 3.716 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cs1 ZINC000266609253 1140708147 /nfs/dbraw/zinc/70/81/47/1140708147.db2.gz VLDAJFFTJYNMSU-AWEZNQCLSA-N 1 2 347.509 3.716 20 0 EHADLO Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266891399 1140734795 /nfs/dbraw/zinc/73/47/95/1140734795.db2.gz FJUVQZIXPBOQBE-HXUWFJFHSA-N 1 2 348.450 3.637 20 0 EHADLO COCc1nc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cs1 ZINC000266985053 1140746506 /nfs/dbraw/zinc/74/65/06/1140746506.db2.gz VEEXMKIOQGDVAG-UHFFFAOYSA-N 1 2 331.466 3.703 20 0 EHADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)Cc1ccc2ccccc2c1 ZINC000267006370 1140749936 /nfs/dbraw/zinc/74/99/36/1140749936.db2.gz FXDNTPFVKNSGSI-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)Cc1ccc2ccccc2c1 ZINC000267006370 1140749939 /nfs/dbraw/zinc/74/99/39/1140749939.db2.gz FXDNTPFVKNSGSI-AWEZNQCLSA-N 1 2 325.412 3.952 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccnc1SCC1CCCCC1 ZINC000267158639 1140763709 /nfs/dbraw/zinc/76/37/09/1140763709.db2.gz GBNQJWMDBVFFBZ-UHFFFAOYSA-N 1 2 344.484 3.716 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000267288570 1140775764 /nfs/dbraw/zinc/77/57/64/1140775764.db2.gz ZAASCNKCHNKTQL-SNVBAGLBSA-N 1 2 325.334 3.547 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000267370936 1140783318 /nfs/dbraw/zinc/78/33/18/1140783318.db2.gz RYEFETDTBAOKMS-QGZVFWFLSA-N 1 2 342.487 3.669 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NC(C)(C)C ZINC000267370936 1140783323 /nfs/dbraw/zinc/78/33/23/1140783323.db2.gz RYEFETDTBAOKMS-QGZVFWFLSA-N 1 2 342.487 3.669 20 0 EHADLO CO[C@H](C)c1nc(CNCc2c[nH+]c(C)n2-c2ccccc2)cs1 ZINC000267591559 1140807786 /nfs/dbraw/zinc/80/77/86/1140807786.db2.gz ALNMXHBDCXFTLD-CYBMUJFWSA-N 1 2 342.468 3.634 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000267920890 1140849280 /nfs/dbraw/zinc/84/92/80/1140849280.db2.gz QILOHGQLKUOEPT-GFCCVEGCSA-N 1 2 342.468 3.992 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000267920890 1140849286 /nfs/dbraw/zinc/84/92/86/1140849286.db2.gz QILOHGQLKUOEPT-GFCCVEGCSA-N 1 2 342.468 3.992 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](CC)Cc1ccncc1 ZINC000267916205 1140849905 /nfs/dbraw/zinc/84/99/05/1140849905.db2.gz PHSLKKQBSHIXQG-IBGZPJMESA-N 1 2 325.456 3.513 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](CC)Cc1ccncc1 ZINC000267916205 1140849918 /nfs/dbraw/zinc/84/99/18/1140849918.db2.gz PHSLKKQBSHIXQG-IBGZPJMESA-N 1 2 325.456 3.513 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988697 1140862305 /nfs/dbraw/zinc/86/23/05/1140862305.db2.gz XTTLIYZYSJUTPE-PGHYUYILSA-N 1 2 329.465 3.586 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988697 1140862311 /nfs/dbraw/zinc/86/23/11/1140862311.db2.gz XTTLIYZYSJUTPE-PGHYUYILSA-N 1 2 329.465 3.586 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988698 1140862776 /nfs/dbraw/zinc/86/27/76/1140862776.db2.gz XTTLIYZYSJUTPE-PLDKWVJVSA-N 1 2 329.465 3.586 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988698 1140862785 /nfs/dbraw/zinc/86/27/85/1140862785.db2.gz XTTLIYZYSJUTPE-PLDKWVJVSA-N 1 2 329.465 3.586 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000268307783 1140918408 /nfs/dbraw/zinc/91/84/08/1140918408.db2.gz OWFCXLAZDHSQIS-UHFFFAOYSA-N 1 2 327.266 3.624 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CCO2)c1 ZINC000268439220 1140938452 /nfs/dbraw/zinc/93/84/52/1140938452.db2.gz GPKGTWCJBIGZBU-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CCO2)c1 ZINC000268439220 1140938456 /nfs/dbraw/zinc/93/84/56/1140938456.db2.gz GPKGTWCJBIGZBU-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](CCO)Cc1cccnc1 ZINC000268648012 1140966967 /nfs/dbraw/zinc/96/69/67/1140966967.db2.gz FXRQVENYASKDIC-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](CCO)Cc1cccnc1 ZINC000268648012 1140966976 /nfs/dbraw/zinc/96/69/76/1140966976.db2.gz FXRQVENYASKDIC-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722674 1140977431 /nfs/dbraw/zinc/97/74/31/1140977431.db2.gz WAQABCFJTOSLHQ-UNMCSNQZSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722674 1140977435 /nfs/dbraw/zinc/97/74/35/1140977435.db2.gz WAQABCFJTOSLHQ-UNMCSNQZSA-N 1 2 348.446 3.559 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1OCc1ccccc1 ZINC000268784770 1140991470 /nfs/dbraw/zinc/99/14/70/1140991470.db2.gz VIWRBXUQKSTBFK-MRXNPFEDSA-N 1 2 348.450 3.654 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000269499792 1141115468 /nfs/dbraw/zinc/11/54/68/1141115468.db2.gz MZCLLRBBAMUARH-MRXNPFEDSA-N 1 2 345.468 3.765 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccccc3C)n2C)c1 ZINC000270121492 1141181758 /nfs/dbraw/zinc/18/17/58/1141181758.db2.gz JXJKGZYLPDQGAK-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO O[C@@H](C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000270142023 1141184294 /nfs/dbraw/zinc/18/42/94/1141184294.db2.gz DPFXGTAPPSYMTI-ZDUSSCGKSA-N 1 2 339.279 3.933 20 0 EHADLO O[C@@H](C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000270142023 1141184297 /nfs/dbraw/zinc/18/42/97/1141184297.db2.gz DPFXGTAPPSYMTI-ZDUSSCGKSA-N 1 2 339.279 3.933 20 0 EHADLO Cc1cc([C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000270370124 1141214093 /nfs/dbraw/zinc/21/40/93/1141214093.db2.gz LTIXMFFYONVYSC-GOSISDBHSA-N 1 2 344.434 3.513 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc(C2CC2)on1 ZINC000270533077 1141236023 /nfs/dbraw/zinc/23/60/23/1141236023.db2.gz VVLRKXSRCJNLLY-UHFFFAOYSA-N 1 2 346.390 3.720 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271183528 1141321136 /nfs/dbraw/zinc/32/11/36/1141321136.db2.gz LFGKNHUYTAVWGI-UHFFFAOYSA-N 1 2 333.476 3.805 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271183528 1141321141 /nfs/dbraw/zinc/32/11/41/1141321141.db2.gz LFGKNHUYTAVWGI-UHFFFAOYSA-N 1 2 333.476 3.805 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000271193503 1141322416 /nfs/dbraw/zinc/32/24/16/1141322416.db2.gz NUJBDABNOMURFD-INIZCTEOSA-N 1 2 333.501 3.890 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000271193503 1141322423 /nfs/dbraw/zinc/32/24/23/1141322423.db2.gz NUJBDABNOMURFD-INIZCTEOSA-N 1 2 333.501 3.890 20 0 EHADLO O=C(Nc1ccccc1N1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271301453 1141341674 /nfs/dbraw/zinc/34/16/74/1141341674.db2.gz FPWITABGXRARPG-UHFFFAOYSA-N 1 2 347.422 3.510 20 0 EHADLO O[C@H]1CCCC[C@H]1Oc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000271298330 1141342135 /nfs/dbraw/zinc/34/21/35/1141342135.db2.gz UEKWYQQAPKEIGH-RBUKOAKNSA-N 1 2 337.423 3.629 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)(F)F)[nH]1 ZINC000271441825 1141368265 /nfs/dbraw/zinc/36/82/65/1141368265.db2.gz FGLOOJPJKJPSSW-NXEZZACHSA-N 1 2 328.338 3.678 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2c(C)nc3sccn23)cc1C ZINC000271585820 1141402919 /nfs/dbraw/zinc/40/29/19/1141402919.db2.gz DPMAARZCWDXKMX-LBPRGKRZSA-N 1 2 347.440 3.585 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2c(C)nc3sccn23)cc1C ZINC000271585820 1141402925 /nfs/dbraw/zinc/40/29/25/1141402925.db2.gz DPMAARZCWDXKMX-LBPRGKRZSA-N 1 2 347.440 3.585 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000271614667 1141407174 /nfs/dbraw/zinc/40/71/74/1141407174.db2.gz CAIKWRCYOPSPPO-YOEHRIQHSA-N 1 2 348.454 3.999 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)s2)ccc1OCC(C)C ZINC000271650851 1141413069 /nfs/dbraw/zinc/41/30/69/1141413069.db2.gz IWAJKOZUHRZCSV-LBPRGKRZSA-N 1 2 335.473 3.741 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3nc([C@H]4CCCCS4)no3)C2)cc1 ZINC000273947243 1141451360 /nfs/dbraw/zinc/45/13/60/1141451360.db2.gz IPVALWMDOLIRPT-JKSUJKDBSA-N 1 2 345.468 3.601 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3nc([C@H]4CCCCS4)no3)C2)cc1 ZINC000273947243 1141451366 /nfs/dbraw/zinc/45/13/66/1141451366.db2.gz IPVALWMDOLIRPT-JKSUJKDBSA-N 1 2 345.468 3.601 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000274250696 1141489660 /nfs/dbraw/zinc/48/96/60/1141489660.db2.gz JYZHCFYFOZWAMU-NRFANRHFSA-N 1 2 345.446 3.909 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH+]1 ZINC000339119328 1141502130 /nfs/dbraw/zinc/50/21/30/1141502130.db2.gz GWKDGQRHFBLSFX-UHFFFAOYSA-N 1 2 335.285 3.794 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000274362074 1141503898 /nfs/dbraw/zinc/50/38/98/1141503898.db2.gz ZZGRNSLOEMZAHO-SPLOXXLWSA-N 1 2 343.279 3.598 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000339163579 1141514480 /nfs/dbraw/zinc/51/44/80/1141514480.db2.gz PYNPGKIFUHJFFL-KSSFIOAISA-N 1 2 337.467 3.769 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000339229722 1141535187 /nfs/dbraw/zinc/53/51/87/1141535187.db2.gz IWVWZFYVIWEZHD-LBPRGKRZSA-N 1 2 349.276 3.917 20 0 EHADLO CCC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000348545494 1141549365 /nfs/dbraw/zinc/54/93/65/1141549365.db2.gz VAEWENHKTYHYAQ-UHFFFAOYSA-N 1 2 337.354 3.856 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572560 1141553152 /nfs/dbraw/zinc/55/31/52/1141553152.db2.gz CGFXJAHOLQAHQQ-IRXDYDNUSA-N 1 2 339.483 3.650 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348572560 1141553154 /nfs/dbraw/zinc/55/31/54/1141553154.db2.gz CGFXJAHOLQAHQQ-IRXDYDNUSA-N 1 2 339.483 3.650 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)s2)ccn1 ZINC000348755595 1141575354 /nfs/dbraw/zinc/57/53/54/1141575354.db2.gz NCABWBKFCZYCGF-BDAKNGLRSA-N 1 2 342.262 3.721 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000045860134 213761955 /nfs/dbraw/zinc/76/19/55/213761955.db2.gz FIMHVNFCIOYOTK-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000078830386 217130278 /nfs/dbraw/zinc/13/02/78/217130278.db2.gz AHWOMLHVEGKUGA-QGZVFWFLSA-N 1 2 333.453 3.671 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000078830386 217130281 /nfs/dbraw/zinc/13/02/81/217130281.db2.gz AHWOMLHVEGKUGA-QGZVFWFLSA-N 1 2 333.453 3.671 20 0 EHADLO CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188633129 519643187 /nfs/dbraw/zinc/64/31/87/519643187.db2.gz UFQDVUYZKPMIPB-MRXNPFEDSA-N 1 2 348.535 3.759 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000225499474 564135388 /nfs/dbraw/zinc/13/53/88/564135388.db2.gz IXEPLILFPMCBGO-GJZGRUSLSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000225499474 564135389 /nfs/dbraw/zinc/13/53/89/564135389.db2.gz IXEPLILFPMCBGO-GJZGRUSLSA-N 1 2 340.345 3.618 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CC1 ZINC000824770095 608518457 /nfs/dbraw/zinc/51/84/57/608518457.db2.gz DPSFOBPARXFUQJ-NSHDSACASA-N 1 2 343.818 3.839 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CC1 ZINC000824770095 608518458 /nfs/dbraw/zinc/51/84/58/608518458.db2.gz DPSFOBPARXFUQJ-NSHDSACASA-N 1 2 343.818 3.839 20 0 EHADLO COc1cc(C)[nH+]c(CN(C)Cc2ccc(Br)cc2)c1 ZINC000404213648 1125458275 /nfs/dbraw/zinc/45/82/75/1125458275.db2.gz XWTJFSIPTHOOBZ-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000840996708 955584558 /nfs/dbraw/zinc/58/45/58/955584558.db2.gz IXNSEXLQGAQUBZ-LJQANCHMSA-N 1 2 338.451 3.528 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000840996708 955584567 /nfs/dbraw/zinc/58/45/67/955584567.db2.gz IXNSEXLQGAQUBZ-LJQANCHMSA-N 1 2 338.451 3.528 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000528319632 1032073485 /nfs/dbraw/zinc/07/34/85/1032073485.db2.gz QYYFVSRMWPWUQZ-UHFFFAOYSA-N 1 2 346.843 3.624 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)ccc2[nH+]1 ZINC000339270474 1014137361 /nfs/dbraw/zinc/13/73/61/1014137361.db2.gz OFSPMZZMVKLGLH-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC1 ZINC000339290345 1014166762 /nfs/dbraw/zinc/16/67/62/1014166762.db2.gz NCRHUUSXBGXZDX-INIZCTEOSA-N 1 2 332.488 3.553 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC1 ZINC000339290345 1014166766 /nfs/dbraw/zinc/16/67/66/1014166766.db2.gz NCRHUUSXBGXZDX-INIZCTEOSA-N 1 2 332.488 3.553 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1nc(C(F)(F)F)cs1 ZINC000274598001 1014295401 /nfs/dbraw/zinc/29/54/01/1014295401.db2.gz KWLZAQYWIQBQDS-VIFPVBQESA-N 1 2 344.358 3.784 20 0 EHADLO CCc1nocc1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000339396999 1014333616 /nfs/dbraw/zinc/33/36/16/1014333616.db2.gz BVHFHHYUCWXVIR-UHFFFAOYSA-N 1 2 331.160 3.568 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683113043 1014349645 /nfs/dbraw/zinc/34/96/45/1014349645.db2.gz BQDMTOKOQZCGLO-CVEARBPZSA-N 1 2 336.435 3.661 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339404606 1014361966 /nfs/dbraw/zinc/36/19/66/1014361966.db2.gz OZNCCAMXUISGNJ-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO O=C(CCc1c(Cl)cccc1Cl)NCCCCn1cc[nH+]c1 ZINC000654782375 1014397723 /nfs/dbraw/zinc/39/77/23/1014397723.db2.gz XBBFQZAMDSQXRZ-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339469472 1014532704 /nfs/dbraw/zinc/53/27/04/1014532704.db2.gz KLHPXLIAVIUFAF-STQMWFEESA-N 1 2 349.887 3.570 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000182397149 1032094319 /nfs/dbraw/zinc/09/43/19/1032094319.db2.gz GHJIBQZYRZACLR-CRAIPNDOSA-N 1 2 326.444 3.523 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339476444 1014550456 /nfs/dbraw/zinc/55/04/56/1014550456.db2.gz FNANQJKHJHQUES-NVXWUHKLSA-N 1 2 345.874 3.829 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000683163298 1014652226 /nfs/dbraw/zinc/65/22/26/1014652226.db2.gz ORMMZNDDXJMGJV-UHFFFAOYSA-N 1 2 340.757 3.600 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000683163298 1014652229 /nfs/dbraw/zinc/65/22/29/1014652229.db2.gz ORMMZNDDXJMGJV-UHFFFAOYSA-N 1 2 340.757 3.600 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCc4c3cccc4F)[nH]2)cc1 ZINC000538017727 1032103992 /nfs/dbraw/zinc/10/39/92/1032103992.db2.gz IABQFZLCXUQXBJ-MRXNPFEDSA-N 1 2 326.350 3.527 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)[nH+]1 ZINC000007177437 1014901054 /nfs/dbraw/zinc/90/10/54/1014901054.db2.gz DRWIWADXIDNWSG-LBPRGKRZSA-N 1 2 330.457 3.610 20 0 EHADLO COc1c(C)c[nH+]c(C/N=C/c2cc(Br)ccc2O)c1C ZINC000064853171 1014906251 /nfs/dbraw/zinc/90/62/51/1014906251.db2.gz MQIGGSLXQFLYFQ-QGMBQPNBSA-N 1 2 349.228 3.794 20 0 EHADLO Fc1ccc2nc(C[N@@H+]3CCC[C@H](OCC(F)(F)F)C3)sc2c1 ZINC000683200952 1014928012 /nfs/dbraw/zinc/92/80/12/1014928012.db2.gz HHHAUPCEVKDAOU-NSHDSACASA-N 1 2 348.365 3.979 20 0 EHADLO Fc1ccc2nc(C[N@H+]3CCC[C@H](OCC(F)(F)F)C3)sc2c1 ZINC000683200952 1014928021 /nfs/dbraw/zinc/92/80/21/1014928021.db2.gz HHHAUPCEVKDAOU-NSHDSACASA-N 1 2 348.365 3.979 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCCCC2CCCCC2)c1C ZINC000065304325 1014937138 /nfs/dbraw/zinc/93/71/38/1014937138.db2.gz VAVRYJHAXPMJHW-UHFFFAOYSA-N 1 2 333.476 3.867 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@@H](c2ccccc2)C1 ZINC000607773083 1014992610 /nfs/dbraw/zinc/99/26/10/1014992610.db2.gz OOYPILFOFRAFMC-QGZVFWFLSA-N 1 2 338.382 3.701 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@@H](c2ccccc2)C1 ZINC000607773083 1014992620 /nfs/dbraw/zinc/99/26/20/1014992620.db2.gz OOYPILFOFRAFMC-QGZVFWFLSA-N 1 2 338.382 3.701 20 0 EHADLO CC[C@H](C)C[N@H+](CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182533829 1032107695 /nfs/dbraw/zinc/10/76/95/1032107695.db2.gz IUODVEUCLNBOPP-ZDUSSCGKSA-N 1 2 346.500 3.967 20 0 EHADLO CC[C@H](C)C[N@@H+](CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182533829 1032107702 /nfs/dbraw/zinc/10/77/02/1032107702.db2.gz IUODVEUCLNBOPP-ZDUSSCGKSA-N 1 2 346.500 3.967 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@H](C)[C@H]3C)cs2)c1 ZINC000339566300 1015021779 /nfs/dbraw/zinc/02/17/79/1015021779.db2.gz HNGHHNWVKOBXIC-LSDHHAIUSA-N 1 2 343.496 3.781 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C)[C@H]3C)cs2)c1 ZINC000339566300 1015021792 /nfs/dbraw/zinc/02/17/92/1015021792.db2.gz HNGHHNWVKOBXIC-LSDHHAIUSA-N 1 2 343.496 3.781 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccnn2C)ccc1Br ZINC000430229456 1015125727 /nfs/dbraw/zinc/12/57/27/1015125727.db2.gz VRFIESYVVLGQEE-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)ccc1Br ZINC000430229456 1015125731 /nfs/dbraw/zinc/12/57/31/1015125731.db2.gz VRFIESYVVLGQEE-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(CNC(=O)CCc2[nH+]ccn2C)ccc1-c1ccccc1 ZINC001625804152 1015158394 /nfs/dbraw/zinc/15/83/94/1015158394.db2.gz RARATKNDZWHDHT-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)c1 ZINC000579849178 1015227246 /nfs/dbraw/zinc/22/72/46/1015227246.db2.gz AUUPTJSTDNWUPC-NRFANRHFSA-N 1 2 348.450 3.921 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)c1 ZINC000579849178 1015227250 /nfs/dbraw/zinc/22/72/50/1015227250.db2.gz AUUPTJSTDNWUPC-NRFANRHFSA-N 1 2 348.450 3.921 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000620203960 1125499425 /nfs/dbraw/zinc/49/94/25/1125499425.db2.gz FMWPFGCQODCYMH-AWEZNQCLSA-N 1 2 347.409 3.662 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000655277339 1015308652 /nfs/dbraw/zinc/30/86/52/1015308652.db2.gz PKEOAGIQPZYGDO-QUCCMNQESA-N 1 2 349.478 3.980 20 0 EHADLO Cc1sc([C@H](C)[NH2+]Cc2cnnn2C)nc1-c1ccc(Cl)cc1 ZINC000154287082 1015344095 /nfs/dbraw/zinc/34/40/95/1015344095.db2.gz YNBXHRWDRJFBIG-JTQLQIEISA-N 1 2 347.875 3.751 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC000179589575 1015462714 /nfs/dbraw/zinc/46/27/14/1015462714.db2.gz AVVLVWDSSOOXFS-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC000179589575 1015462723 /nfs/dbraw/zinc/46/27/23/1015462723.db2.gz AVVLVWDSSOOXFS-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1ncc(Br)s1 ZINC000339682403 1015511147 /nfs/dbraw/zinc/51/11/47/1015511147.db2.gz HZIAGQBGIYPUJB-PWSUYJOCSA-N 1 2 341.274 3.680 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cc2ccccc2o1 ZINC000683256899 1015549070 /nfs/dbraw/zinc/54/90/70/1015549070.db2.gz QKTHHZQJOSGZKQ-UHFFFAOYSA-N 1 2 339.439 3.673 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001590603159 990265090 /nfs/dbraw/zinc/26/50/90/990265090.db2.gz RDKTXSGWNOLFJH-ZDUSSCGKSA-N 1 2 347.484 3.777 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001590603159 990265096 /nfs/dbraw/zinc/26/50/96/990265096.db2.gz RDKTXSGWNOLFJH-ZDUSSCGKSA-N 1 2 347.484 3.777 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(C(F)F)nc1 ZINC000655399483 1015556142 /nfs/dbraw/zinc/55/61/42/1015556142.db2.gz OMMTVZVNFYVVSH-HDJSIYSDSA-N 1 2 346.381 3.567 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191533 990782865 /nfs/dbraw/zinc/78/28/65/990782865.db2.gz KUNWTBGANKVZQW-WFASDCNBSA-N 1 2 345.270 3.535 20 0 EHADLO C[NH+](C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598191533 990782870 /nfs/dbraw/zinc/78/28/70/990782870.db2.gz KUNWTBGANKVZQW-WFASDCNBSA-N 1 2 345.270 3.535 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1cccnc1 ZINC000154609118 1015627063 /nfs/dbraw/zinc/62/70/63/1015627063.db2.gz KIWOLGNAZTZTNC-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000154609118 1015627067 /nfs/dbraw/zinc/62/70/67/1015627067.db2.gz KIWOLGNAZTZTNC-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339792014 1015675891 /nfs/dbraw/zinc/67/58/91/1015675891.db2.gz NQTFCRRZUDQMTI-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000339792014 1015675896 /nfs/dbraw/zinc/67/58/96/1015675896.db2.gz NQTFCRRZUDQMTI-MRXNPFEDSA-N 1 2 340.442 3.621 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649408 1015693525 /nfs/dbraw/zinc/69/35/25/1015693525.db2.gz PARWOIIRFSROHP-LPHOPBHVSA-N 1 2 325.456 3.560 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000154649408 1015693528 /nfs/dbraw/zinc/69/35/28/1015693528.db2.gz PARWOIIRFSROHP-LPHOPBHVSA-N 1 2 325.456 3.560 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000255014742 1015706411 /nfs/dbraw/zinc/70/64/11/1015706411.db2.gz OWFBHVQAQNANBZ-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000255014742 1015706417 /nfs/dbraw/zinc/70/64/17/1015706417.db2.gz OWFBHVQAQNANBZ-LUAWRHEFSA-N 1 2 347.871 3.826 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000339831151 1015714380 /nfs/dbraw/zinc/71/43/80/1015714380.db2.gz MBDSYPJNCYJMFL-NRFANRHFSA-N 1 2 333.435 3.505 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000339831151 1015714386 /nfs/dbraw/zinc/71/43/86/1015714386.db2.gz MBDSYPJNCYJMFL-NRFANRHFSA-N 1 2 333.435 3.505 20 0 EHADLO C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(CC(=O)[O-])CC2)CCC1 ZINC001598527050 992732894 /nfs/dbraw/zinc/73/28/94/992732894.db2.gz NLWDHTOGSHFHSW-UHFFFAOYSA-N 1 2 344.499 3.664 20 0 EHADLO C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(CC(=O)[O-])CC2)CCC1 ZINC001598527050 992732896 /nfs/dbraw/zinc/73/28/96/992732896.db2.gz NLWDHTOGSHFHSW-UHFFFAOYSA-N 1 2 344.499 3.664 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000339846654 1015741039 /nfs/dbraw/zinc/74/10/39/1015741039.db2.gz MQGSHCMTSUNTOM-MRXNPFEDSA-N 1 2 335.407 3.591 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154893677 1015913210 /nfs/dbraw/zinc/91/32/10/1015913210.db2.gz PPOQKGYBWLRIMS-HOCLYGCPSA-N 1 2 346.500 3.960 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154893677 1015913219 /nfs/dbraw/zinc/91/32/19/1015913219.db2.gz PPOQKGYBWLRIMS-HOCLYGCPSA-N 1 2 346.500 3.960 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(OC(F)F)c2ncccc12)n1cc[nH+]c1 ZINC001125313466 1016063315 /nfs/dbraw/zinc/06/33/15/1016063315.db2.gz UKNRJTTWDVCDLC-NSHDSACASA-N 1 2 346.337 3.623 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000155059651 1016091134 /nfs/dbraw/zinc/09/11/34/1016091134.db2.gz LHWUXILXFRJVJJ-IBGZPJMESA-N 1 2 348.450 3.737 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000155059651 1016091145 /nfs/dbraw/zinc/09/11/45/1016091145.db2.gz LHWUXILXFRJVJJ-IBGZPJMESA-N 1 2 348.450 3.737 20 0 EHADLO COc1ccc(Cl)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514965 1016143267 /nfs/dbraw/zinc/14/32/67/1016143267.db2.gz YHQMCRXLLJUMPM-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1 ZINC000275214374 1016156130 /nfs/dbraw/zinc/15/61/30/1016156130.db2.gz BBVVSGJPFJHNMM-WMZOPIPTSA-N 1 2 342.443 3.585 20 0 EHADLO CCCCOc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC001167125672 1016205107 /nfs/dbraw/zinc/20/51/07/1016205107.db2.gz DLVMVCFMTXDDRG-UHFFFAOYSA-N 1 2 334.851 3.952 20 0 EHADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167125488 1016206080 /nfs/dbraw/zinc/20/60/80/1016206080.db2.gz HPXMOGSUMRPLIW-GFCCVEGCSA-N 1 2 333.867 3.990 20 0 EHADLO Clc1cccc2nc(Cl)nc(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167126475 1016211444 /nfs/dbraw/zinc/21/14/44/1016211444.db2.gz WDUGLYFJIWWEMF-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO O=C(Nc1ccc(Cl)cc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045958545 1016226408 /nfs/dbraw/zinc/22/64/08/1016226408.db2.gz FZVQIXYGTLNOQZ-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H](c3cccnc3)C3CC3)c12 ZINC000340079872 1016225271 /nfs/dbraw/zinc/22/52/71/1016225271.db2.gz VNYWEPLEPQOQJS-SFHVURJKSA-N 1 2 342.406 3.774 20 0 EHADLO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@@H+]1C ZINC001594245153 998935645 /nfs/dbraw/zinc/93/56/45/998935645.db2.gz IAUKRQSJQZYZIA-PBHICJAKSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@H+]1C ZINC001594245153 998935648 /nfs/dbraw/zinc/93/56/48/998935648.db2.gz IAUKRQSJQZYZIA-PBHICJAKSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245153 998935650 /nfs/dbraw/zinc/93/56/50/998935650.db2.gz IAUKRQSJQZYZIA-PBHICJAKSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245153 998935652 /nfs/dbraw/zinc/93/56/52/998935652.db2.gz IAUKRQSJQZYZIA-PBHICJAKSA-N 1 2 342.439 3.559 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000536683331 1032146926 /nfs/dbraw/zinc/14/69/26/1032146926.db2.gz OXRWYAMAOGVEAB-CYBMUJFWSA-N 1 2 342.277 3.849 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCCO[C@H](C)C1 ZINC000536683331 1032146931 /nfs/dbraw/zinc/14/69/31/1032146931.db2.gz OXRWYAMAOGVEAB-CYBMUJFWSA-N 1 2 342.277 3.849 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3csc(C4CC4)n3)CC2)c1 ZINC000340124684 1016368942 /nfs/dbraw/zinc/36/89/42/1016368942.db2.gz KXNPLVRMDHOFQI-UHFFFAOYSA-N 1 2 347.915 3.992 20 0 EHADLO COc1cccc2c1[C@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000431832744 1016457230 /nfs/dbraw/zinc/45/72/30/1016457230.db2.gz HUGQYRPHNKLUCD-QGZVFWFLSA-N 1 2 333.391 3.549 20 0 EHADLO Cc1cc(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)nc(C(C)C)[nH+]1 ZINC001167175330 1016475687 /nfs/dbraw/zinc/47/56/87/1016475687.db2.gz HQJZYRMJHULUGR-GASCZTMLSA-N 1 2 345.450 3.943 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000430396780 1016656065 /nfs/dbraw/zinc/65/60/65/1016656065.db2.gz UKLKIOHFYWPBNE-ZLGUVYLKSA-N 1 2 349.478 3.738 20 0 EHADLO CCC[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(F)cc1F ZINC001167237820 1016716092 /nfs/dbraw/zinc/71/60/92/1016716092.db2.gz VGNJOCMJYRSQIO-UHFFFAOYSA-N 1 2 326.431 3.729 20 0 EHADLO CCC[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(F)cc1F ZINC001167237820 1016716107 /nfs/dbraw/zinc/71/61/07/1016716107.db2.gz VGNJOCMJYRSQIO-UHFFFAOYSA-N 1 2 326.431 3.729 20 0 EHADLO O=C(CO[C@H]1CCCc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000430404259 1016776464 /nfs/dbraw/zinc/77/64/64/1016776464.db2.gz HVHBELGCCWRIIF-FQEVSTJZSA-N 1 2 347.418 3.905 20 0 EHADLO CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121191089 1016928028 /nfs/dbraw/zinc/92/80/28/1016928028.db2.gz WEZLLFZUAKJXCW-WBVHZDCISA-N 1 2 343.471 3.975 20 0 EHADLO CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121191089 1016928040 /nfs/dbraw/zinc/92/80/40/1016928040.db2.gz WEZLLFZUAKJXCW-WBVHZDCISA-N 1 2 343.471 3.975 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)c1 ZINC000376649355 1016951449 /nfs/dbraw/zinc/95/14/49/1016951449.db2.gz SNRKBEUXBKLSGO-AWEZNQCLSA-N 1 2 341.455 3.984 20 0 EHADLO CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)c1 ZINC000376649355 1016951456 /nfs/dbraw/zinc/95/14/56/1016951456.db2.gz SNRKBEUXBKLSGO-AWEZNQCLSA-N 1 2 341.455 3.984 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1 ZINC000376624984 1016956796 /nfs/dbraw/zinc/95/67/96/1016956796.db2.gz BHKWUHQYZCVXJY-GOSISDBHSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1 ZINC000376624984 1016956801 /nfs/dbraw/zinc/95/68/01/1016956801.db2.gz BHKWUHQYZCVXJY-GOSISDBHSA-N 1 2 334.423 3.613 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000120805236 1016974377 /nfs/dbraw/zinc/97/43/77/1016974377.db2.gz PWSIZGXUGTXYOV-ZIAGYGMSSA-N 1 2 334.427 3.609 20 0 EHADLO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121251651 1016990813 /nfs/dbraw/zinc/99/08/13/1016990813.db2.gz KYLKXNNPYCBMMU-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO CCCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121251651 1016990824 /nfs/dbraw/zinc/99/08/24/1016990824.db2.gz KYLKXNNPYCBMMU-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO COc1cc(C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000376715781 1017000187 /nfs/dbraw/zinc/00/01/87/1017000187.db2.gz DFRIBXDKEHRURT-HNNXBMFYSA-N 1 2 342.443 3.755 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(C2CCCCC2)n1 ZINC000183007484 1032157324 /nfs/dbraw/zinc/15/73/24/1032157324.db2.gz NKJDAUMCVCFVSU-INIZCTEOSA-N 1 2 327.476 3.571 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(C2CCCCC2)n1 ZINC000183007484 1032157332 /nfs/dbraw/zinc/15/73/32/1032157332.db2.gz NKJDAUMCVCFVSU-INIZCTEOSA-N 1 2 327.476 3.571 20 0 EHADLO CCC[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000183255014 1032185842 /nfs/dbraw/zinc/18/58/42/1032185842.db2.gz KTJZKYUZNWFOGB-ZFWWWQNUSA-N 1 2 331.391 3.545 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000485012111 1032238676 /nfs/dbraw/zinc/23/86/76/1032238676.db2.gz DTJHEIRCYCTFCB-CYBMUJFWSA-N 1 2 347.459 3.967 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000485012111 1032238683 /nfs/dbraw/zinc/23/86/83/1032238683.db2.gz DTJHEIRCYCTFCB-CYBMUJFWSA-N 1 2 347.459 3.967 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)N1CCCCCC1 ZINC000538233853 1032240180 /nfs/dbraw/zinc/24/01/80/1032240180.db2.gz XXEBIDNFXMQBDX-UHFFFAOYSA-N 1 2 341.282 3.975 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1F ZINC000528406078 1032241757 /nfs/dbraw/zinc/24/17/57/1032241757.db2.gz SMROAAWHHDJNSN-WCQYABFASA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1F ZINC000528406078 1032241766 /nfs/dbraw/zinc/24/17/66/1032241766.db2.gz SMROAAWHHDJNSN-WCQYABFASA-N 1 2 346.215 3.728 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)co1 ZINC000528410984 1032249152 /nfs/dbraw/zinc/24/91/52/1032249152.db2.gz QUPKUNAFGMOGEV-SFHVURJKSA-N 1 2 345.464 3.725 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)co1 ZINC000528410984 1032249168 /nfs/dbraw/zinc/24/91/68/1032249168.db2.gz QUPKUNAFGMOGEV-SFHVURJKSA-N 1 2 345.464 3.725 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204490253 1017073479 /nfs/dbraw/zinc/07/34/79/1017073479.db2.gz NLIWTRAIJBOZQD-HZMBPMFUSA-N 1 2 335.341 3.864 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204490253 1017073488 /nfs/dbraw/zinc/07/34/88/1017073488.db2.gz NLIWTRAIJBOZQD-HZMBPMFUSA-N 1 2 335.341 3.864 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)s1 ZINC000040218715 1017073924 /nfs/dbraw/zinc/07/39/24/1017073924.db2.gz ADEIBMKYPVLBAM-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000081126270 1032269966 /nfs/dbraw/zinc/26/99/66/1032269966.db2.gz LJUWMEKVMHUEOA-ONEGZZNKSA-N 1 2 349.409 3.790 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccc(F)cc2)cn1 ZINC000184611189 1032309150 /nfs/dbraw/zinc/30/91/50/1032309150.db2.gz HBJKLHUKUQAEGZ-SFHVURJKSA-N 1 2 331.341 3.717 20 0 EHADLO Cn1c2ccccc2nc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184777741 1032333601 /nfs/dbraw/zinc/33/36/01/1032333601.db2.gz UQLOOPOSCGXLBP-UHFFFAOYSA-N 1 2 331.423 3.548 20 0 EHADLO Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CO2 ZINC000185134364 1032353180 /nfs/dbraw/zinc/35/31/80/1032353180.db2.gz XYPCSZCASLBADJ-QGZVFWFLSA-N 1 2 333.391 3.808 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449249207 1032353767 /nfs/dbraw/zinc/35/37/67/1032353767.db2.gz LGFMFWVYAUKLHE-CQSZACIVSA-N 1 2 327.453 3.768 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1F ZINC000528497778 1032360585 /nfs/dbraw/zinc/36/05/85/1032360585.db2.gz RVPMPQFHCIYEOB-CHWSQXEVSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1F ZINC000528497778 1032360593 /nfs/dbraw/zinc/36/05/93/1032360593.db2.gz RVPMPQFHCIYEOB-CHWSQXEVSA-N 1 2 346.215 3.871 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2ccc3ocnc3c2)cs1 ZINC001168107968 1032368741 /nfs/dbraw/zinc/36/87/41/1032368741.db2.gz ANVIUCOQGHAQAM-UHFFFAOYSA-N 1 2 348.497 3.691 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(CCc3ccccc3)s2)s1 ZINC000449240336 1032374734 /nfs/dbraw/zinc/37/47/34/1032374734.db2.gz YMRKEBBFNOKHCY-GFCCVEGCSA-N 1 2 344.509 3.939 20 0 EHADLO CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCC2 ZINC000666132145 1032384806 /nfs/dbraw/zinc/38/48/06/1032384806.db2.gz RAWXYTCMZHVXMX-CABCVRRESA-N 1 2 342.443 3.582 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000449267690 1032387273 /nfs/dbraw/zinc/38/72/73/1032387273.db2.gz AYWMNOZWMIKYIS-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000528518936 1032395817 /nfs/dbraw/zinc/39/58/17/1032395817.db2.gz KSSFETZCWPEWSU-LBPRGKRZSA-N 1 2 348.231 3.974 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000528518936 1032395825 /nfs/dbraw/zinc/39/58/25/1032395825.db2.gz KSSFETZCWPEWSU-LBPRGKRZSA-N 1 2 348.231 3.974 20 0 EHADLO FC(F)C(F)(F)COCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459669702 1032398379 /nfs/dbraw/zinc/39/83/79/1032398379.db2.gz DBFLVRMBNHYASO-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO FC(F)C(F)(F)COCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459669702 1032398386 /nfs/dbraw/zinc/39/83/86/1032398386.db2.gz DBFLVRMBNHYASO-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc(-c3ccccn3)s2)o1 ZINC000084664994 1032447341 /nfs/dbraw/zinc/44/73/41/1032447341.db2.gz MVOZIQYWQCSMHV-MRXNPFEDSA-N 1 2 343.452 3.838 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767785 1032471289 /nfs/dbraw/zinc/47/12/89/1032471289.db2.gz YBROJVADVVFVKC-DJJJIMSYSA-N 1 2 342.389 3.643 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459767785 1032471291 /nfs/dbraw/zinc/47/12/91/1032471291.db2.gz YBROJVADVVFVKC-DJJJIMSYSA-N 1 2 342.389 3.643 20 0 EHADLO FC(F)n1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000449369356 1032483371 /nfs/dbraw/zinc/48/33/71/1032483371.db2.gz SHIUWWYSXAHPAE-UHFFFAOYSA-N 1 2 347.287 3.956 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1nccn1CC(F)(F)F ZINC000449365240 1032480489 /nfs/dbraw/zinc/48/04/89/1032480489.db2.gz SLCLHLYMXILBTB-HBNTYKKESA-N 1 2 343.315 3.997 20 0 EHADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1nccn1CC(F)(F)F ZINC000449365240 1032480496 /nfs/dbraw/zinc/48/04/96/1032480496.db2.gz SLCLHLYMXILBTB-HBNTYKKESA-N 1 2 343.315 3.997 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)c1ccc(F)cc1)C2 ZINC000528591047 1032495585 /nfs/dbraw/zinc/49/55/85/1032495585.db2.gz APKXDIVUUQZPKD-UHFFFAOYSA-N 1 2 341.430 3.544 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC(=O)c1ccc(F)cc1)C2 ZINC000528591047 1032495588 /nfs/dbraw/zinc/49/55/88/1032495588.db2.gz APKXDIVUUQZPKD-UHFFFAOYSA-N 1 2 341.430 3.544 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C ZINC000537046963 1032501569 /nfs/dbraw/zinc/50/15/69/1032501569.db2.gz WBNOFVFTOKPYRW-CRAIPNDOSA-N 1 2 343.423 3.818 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C ZINC000537046963 1032501578 /nfs/dbraw/zinc/50/15/78/1032501578.db2.gz WBNOFVFTOKPYRW-CRAIPNDOSA-N 1 2 343.423 3.818 20 0 EHADLO Cc1csc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000088577870 1032506187 /nfs/dbraw/zinc/50/61/87/1032506187.db2.gz YJQYSCXEKYSBDE-UHFFFAOYSA-N 1 2 336.407 3.825 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ncccc3Cl)CC2)cc1 ZINC000088725927 1032508138 /nfs/dbraw/zinc/50/81/38/1032508138.db2.gz LVUKNGCDASRECF-UHFFFAOYSA-N 1 2 330.863 3.882 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)cc1 ZINC000537104368 1032514147 /nfs/dbraw/zinc/51/41/47/1032514147.db2.gz WDLRCWOYVCLAOS-ZDUSSCGKSA-N 1 2 349.500 3.956 20 0 EHADLO FC(F)(F)c1ncc(C[NH2+]Cc2cccc(C(F)(F)F)n2)s1 ZINC000449400043 1032524121 /nfs/dbraw/zinc/52/41/21/1032524121.db2.gz GTALRHSQPQBDRC-UHFFFAOYSA-N 1 2 341.280 3.866 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC000537171644 1032548086 /nfs/dbraw/zinc/54/80/86/1032548086.db2.gz SRLVLYNATMAIPF-ZDUSSCGKSA-N 1 2 346.368 3.764 20 0 EHADLO CC(C)Oc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000449471140 1032590647 /nfs/dbraw/zinc/59/06/47/1032590647.db2.gz ZYODQWARCWJIDG-UHFFFAOYSA-N 1 2 325.334 3.572 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCCC[C@H]1C ZINC000606238010 1032614165 /nfs/dbraw/zinc/61/41/65/1032614165.db2.gz ZKNIHPKNVVUKIQ-VQIMIIECSA-N 1 2 344.499 3.982 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1nc(C2CC2)n2ccccc12 ZINC000091014457 1032616204 /nfs/dbraw/zinc/61/62/04/1032616204.db2.gz ABAJVTWIMJSEHF-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000606345757 1032628375 /nfs/dbraw/zinc/62/83/75/1032628375.db2.gz DVLQBOZFJJQRQW-WTKPLQERSA-N 1 2 340.492 3.886 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1nn(C)cc1Br ZINC000449487224 1032644677 /nfs/dbraw/zinc/64/46/77/1032644677.db2.gz XCLUTWYXSOXDIL-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000592983593 1032651708 /nfs/dbraw/zinc/65/17/08/1032651708.db2.gz LMWGCGOBYUWVCG-UHFFFAOYSA-N 1 2 348.434 3.543 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCCc2sccc2C1 ZINC000592983593 1032651715 /nfs/dbraw/zinc/65/17/15/1032651715.db2.gz LMWGCGOBYUWVCG-UHFFFAOYSA-N 1 2 348.434 3.543 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)c1C ZINC000592983942 1032657060 /nfs/dbraw/zinc/65/70/60/1032657060.db2.gz OLQHQYGQEXSIRU-ZDUSSCGKSA-N 1 2 344.480 3.915 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)c1C ZINC000592983942 1032657073 /nfs/dbraw/zinc/65/70/73/1032657073.db2.gz OLQHQYGQEXSIRU-ZDUSSCGKSA-N 1 2 344.480 3.915 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C3CCCCCC3)CC2)s1 ZINC000606395777 1032673260 /nfs/dbraw/zinc/67/32/60/1032673260.db2.gz OYICLMLEQSZOEJ-UHFFFAOYSA-N 1 2 334.529 3.925 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376871467 1017171104 /nfs/dbraw/zinc/17/11/04/1017171104.db2.gz GNMBSWBNRRFXHS-OAHLLOKOSA-N 1 2 348.450 3.543 20 0 EHADLO C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376871467 1017171113 /nfs/dbraw/zinc/17/11/13/1017171113.db2.gz GNMBSWBNRRFXHS-OAHLLOKOSA-N 1 2 348.450 3.543 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(F)cc1Br ZINC000639136754 1017268374 /nfs/dbraw/zinc/26/83/74/1017268374.db2.gz QCCGMSXADCSPQI-JQWIXIFHSA-N 1 2 346.240 3.596 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(F)cc1Br ZINC000639136754 1017268389 /nfs/dbraw/zinc/26/83/89/1017268389.db2.gz QCCGMSXADCSPQI-JQWIXIFHSA-N 1 2 346.240 3.596 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C(F)F)ncn1 ZINC000892738201 1017282109 /nfs/dbraw/zinc/28/21/09/1017282109.db2.gz SXBFOIAAIJPEQI-UHFFFAOYSA-N 1 2 347.413 3.552 20 0 EHADLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)sc1C ZINC000683544715 1017294866 /nfs/dbraw/zinc/29/48/66/1017294866.db2.gz XYLYQMQQRUFQTH-UHFFFAOYSA-N 1 2 332.816 3.851 20 0 EHADLO CN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(C)(C)C1 ZINC000655620744 1017308470 /nfs/dbraw/zinc/30/84/70/1017308470.db2.gz DQHZDFPQJMSKBP-QGZVFWFLSA-N 1 2 340.471 3.534 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606450855 1032694477 /nfs/dbraw/zinc/69/44/77/1032694477.db2.gz UNPWNDIURRGJKA-JTDSTZFVSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606450855 1032694481 /nfs/dbraw/zinc/69/44/81/1032694481.db2.gz UNPWNDIURRGJKA-JTDSTZFVSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449948 1032694752 /nfs/dbraw/zinc/69/47/52/1032694752.db2.gz KHRMNBLMIKNPOJ-LSDHHAIUSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449948 1032694757 /nfs/dbraw/zinc/69/47/57/1032694757.db2.gz KHRMNBLMIKNPOJ-LSDHHAIUSA-N 1 2 338.426 3.723 20 0 EHADLO COCc1cc[nH+]c(NCc2cc(OC)ccc2Br)c1 ZINC000650243643 1017451423 /nfs/dbraw/zinc/45/14/23/1017451423.db2.gz JPLXYJGDCWFYAS-UHFFFAOYSA-N 1 2 337.217 3.611 20 0 EHADLO CCc1nn(C)cc1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000092410913 1017454794 /nfs/dbraw/zinc/45/47/94/1017454794.db2.gz CBSAIXQNTYKWHC-UHFFFAOYSA-N 1 2 340.496 3.514 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)c(C(F)(F)F)c1 ZINC000892803061 1017455174 /nfs/dbraw/zinc/45/51/74/1017455174.db2.gz XICHOZHEZFXWCI-UHFFFAOYSA-N 1 2 345.390 3.979 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cn2ccccc2n1 ZINC000655766509 1017565330 /nfs/dbraw/zinc/56/53/30/1017565330.db2.gz HOPCPJMGKCEZKS-OAHLLOKOSA-N 1 2 338.430 3.924 20 0 EHADLO Cc1cc(N[C@H](CC(N)=O)c2cccc(Cl)c2)nc(C2CCC2)[nH+]1 ZINC000892846222 1017576176 /nfs/dbraw/zinc/57/61/76/1017576176.db2.gz HGAKPQSUCPGAGA-OAHLLOKOSA-N 1 2 344.846 3.735 20 0 EHADLO CCc1ccccc1Cc1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000683597087 1017599040 /nfs/dbraw/zinc/59/90/40/1017599040.db2.gz GLGIMGTWJNOKQA-UHFFFAOYSA-N 1 2 332.407 3.770 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc2ccccc2o1 ZINC000655793823 1017626179 /nfs/dbraw/zinc/62/61/79/1017626179.db2.gz DPYIBMYDKDQOES-MAUKXSAKSA-N 1 2 340.427 3.889 20 0 EHADLO CC1(C)CC[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655796265 1017629993 /nfs/dbraw/zinc/62/99/93/1017629993.db2.gz DSWLGEKSZYFQLA-JKSUJKDBSA-N 1 2 326.444 3.559 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc2ccccc2s1 ZINC000655794911 1017630581 /nfs/dbraw/zinc/63/05/81/1017630581.db2.gz VCHLDBSFQDXSOY-WCQYABFASA-N 1 2 328.441 3.722 20 0 EHADLO COc1cccc(SCC[N@H+](C)Cc2nccn2C(F)F)c1 ZINC000659839050 1017654864 /nfs/dbraw/zinc/65/48/64/1017654864.db2.gz UEYPLKUOPOOQIW-UHFFFAOYSA-N 1 2 327.400 3.511 20 0 EHADLO COc1cccc(SCC[N@@H+](C)Cc2nccn2C(F)F)c1 ZINC000659839050 1017654876 /nfs/dbraw/zinc/65/48/76/1017654876.db2.gz UEYPLKUOPOOQIW-UHFFFAOYSA-N 1 2 327.400 3.511 20 0 EHADLO C[C@@H]1CCN(c2cc(Cl)nc(C3CCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000892910557 1017707074 /nfs/dbraw/zinc/70/70/74/1017707074.db2.gz FDTRDJPPMDCJRU-OCCSQVGLSA-N 1 2 331.851 3.682 20 0 EHADLO CC1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)Cc2ccccc21 ZINC000340422090 1017720146 /nfs/dbraw/zinc/72/01/46/1017720146.db2.gz PYMDLZPRGKPSFR-UHFFFAOYSA-N 1 2 331.419 3.806 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ncc(Br)cn1 ZINC000340425803 1017740756 /nfs/dbraw/zinc/74/07/56/1017740756.db2.gz UMPKMDJIYYQYIE-YMTOWFKASA-N 1 2 336.208 3.716 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2c(c1)COC2 ZINC000340427841 1017760084 /nfs/dbraw/zinc/76/00/84/1017760084.db2.gz UYFSIIONKSRSFW-MNOVXSKESA-N 1 2 348.244 3.681 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000246367061 1017847374 /nfs/dbraw/zinc/84/73/74/1017847374.db2.gz HBWIBKJDTJHZBE-SJLPKXTDSA-N 1 2 343.471 3.858 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000246367061 1017847394 /nfs/dbraw/zinc/84/73/94/1017847394.db2.gz HBWIBKJDTJHZBE-SJLPKXTDSA-N 1 2 343.471 3.858 20 0 EHADLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000340449357 1017870117 /nfs/dbraw/zinc/87/01/17/1017870117.db2.gz UUDFOVPFBJEAAH-NEPJUHHUSA-N 1 2 334.366 3.651 20 0 EHADLO CC1(C)CC(Nc2ccc(Cn3cc[nH+]c3)cc2)CC(C)(C)N1O ZINC001167718211 1018003980 /nfs/dbraw/zinc/00/39/80/1018003980.db2.gz NBOJSRIWUYEOOB-UHFFFAOYSA-N 1 2 328.460 3.754 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2F)o1 ZINC000892975375 1018019560 /nfs/dbraw/zinc/01/95/60/1018019560.db2.gz NXTASTUZTJPJDY-UHFFFAOYSA-N 1 2 328.181 3.870 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc2n(c1=S)CCCCC2)c1ccccc1 ZINC000066795558 1018085111 /nfs/dbraw/zinc/08/51/11/1018085111.db2.gz RJNBSPAZXIYJMI-OAHLLOKOSA-N 1 2 330.501 3.833 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc2n(c1=S)CCCCC2)c1ccccc1 ZINC000066795558 1018085125 /nfs/dbraw/zinc/08/51/25/1018085125.db2.gz RJNBSPAZXIYJMI-OAHLLOKOSA-N 1 2 330.501 3.833 20 0 EHADLO CN(C)c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)[nH+]c2ccccc21 ZINC001167720237 1018097192 /nfs/dbraw/zinc/09/71/92/1018097192.db2.gz WDJJCLKSVIOQHY-UHFFFAOYSA-N 1 2 343.475 3.519 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593080060 1032749275 /nfs/dbraw/zinc/74/92/75/1032749275.db2.gz DDOUAYHRNYDHHA-CQSZACIVSA-N 1 2 348.443 3.666 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593080060 1032749290 /nfs/dbraw/zinc/74/92/90/1032749290.db2.gz DDOUAYHRNYDHHA-CQSZACIVSA-N 1 2 348.443 3.666 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ncc(-c4ccccc4)o3)ccc2[nH+]1 ZINC000606570089 1032753788 /nfs/dbraw/zinc/75/37/88/1032753788.db2.gz RLIAQRNLPLHQNB-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO COc1cccc(NC2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC000377734991 1018290915 /nfs/dbraw/zinc/29/09/15/1018290915.db2.gz RVIASYHUVFMBQO-UHFFFAOYSA-N 1 2 338.455 3.752 20 0 EHADLO Cc1[nH+]cn(CCCCc2noc(-c3cc(Cl)ccc3O)n2)c1C ZINC000656037994 1018311369 /nfs/dbraw/zinc/31/13/69/1018311369.db2.gz PTKMMZINMBSGPX-UHFFFAOYSA-N 1 2 346.818 3.932 20 0 EHADLO Cc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C(F)(F)F ZINC000651041694 1018313346 /nfs/dbraw/zinc/31/33/46/1018313346.db2.gz JPHNDXAZQFFOBB-UHFFFAOYSA-N 1 2 337.345 3.728 20 0 EHADLO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCCCn1cc[nH+]c1 ZINC000783057354 1018315670 /nfs/dbraw/zinc/31/56/70/1018315670.db2.gz TVJZNTZZOPTGLU-NSHDSACASA-N 1 2 343.210 3.591 20 0 EHADLO Cc1[nH+]cc(CNc2ncc(C(F)(F)F)s2)n1-c1ccccc1 ZINC000340563445 1018487547 /nfs/dbraw/zinc/48/75/47/1018487547.db2.gz ZAFJPRONATWUFK-UHFFFAOYSA-N 1 2 338.358 3.690 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000897560697 1032768189 /nfs/dbraw/zinc/76/81/89/1032768189.db2.gz UZQWYTXWOZOOFP-ZWKOTPCHSA-N 1 2 325.456 3.769 20 0 EHADLO COc1ccc(CCC2CC[NH+]([C@@H](C)c3noc(C)n3)CC2)cc1 ZINC000377876049 1018504308 /nfs/dbraw/zinc/50/43/08/1018504308.db2.gz VOMBYBWUVQKZJE-AWEZNQCLSA-N 1 2 329.444 3.792 20 0 EHADLO COC(=O)c1cc(NCc2c[nH+]cn2Cc2ccccc2)c(C)cc1C ZINC000471522211 1018506718 /nfs/dbraw/zinc/50/67/18/1018506718.db2.gz NCVCYPSOODFWGL-UHFFFAOYSA-N 1 2 349.434 3.947 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(C(C)(C)C)on1)CC2 ZINC000377880602 1018507911 /nfs/dbraw/zinc/50/79/11/1018507911.db2.gz UWJCJDISGBZDBT-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(C(C)(C)C)on1)CC2 ZINC000377880602 1018507920 /nfs/dbraw/zinc/50/79/20/1018507920.db2.gz UWJCJDISGBZDBT-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CS2 ZINC000683778271 1018513586 /nfs/dbraw/zinc/51/35/86/1018513586.db2.gz MDISMSMMFKFCRK-JTQLQIEISA-N 1 2 327.272 3.842 20 0 EHADLO CN1CC[NH+](Cc2ccccc2Nc2cnc3sccc3c2)CC1 ZINC001210693825 1018555275 /nfs/dbraw/zinc/55/52/75/1018555275.db2.gz MUASUNFFGZZSTL-UHFFFAOYSA-N 1 2 338.480 3.787 20 0 EHADLO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000549376635 1018579288 /nfs/dbraw/zinc/57/92/88/1018579288.db2.gz OHJCDNYPTIRGFD-ACJLOTCBSA-N 1 2 342.393 3.783 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000340585852 1018587759 /nfs/dbraw/zinc/58/77/59/1018587759.db2.gz BDGRUPNKPJIPFV-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO NC(=O)c1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000340605575 1018665443 /nfs/dbraw/zinc/66/54/43/1018665443.db2.gz IHDRRQPPELVGPJ-UHFFFAOYSA-N 1 2 347.418 3.564 20 0 EHADLO COc1ccc2cc(CNc3ccc(N4CCCC4)c[nH+]3)ccc2c1 ZINC000513058051 1018727622 /nfs/dbraw/zinc/72/76/22/1018727622.db2.gz KABXJIDTNCKMPP-UHFFFAOYSA-N 1 2 333.435 3.878 20 0 EHADLO Clc1ccc2cccnc2c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000052282162 1018781708 /nfs/dbraw/zinc/78/17/08/1018781708.db2.gz PATWLQNQTDUQID-UHFFFAOYSA-N 1 2 341.842 3.799 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccccc1OCc1ccccc1 ZINC000052428211 1018810111 /nfs/dbraw/zinc/81/01/11/1018810111.db2.gz RJCALKBEINQXOD-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO CO[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614354387 1018820471 /nfs/dbraw/zinc/82/04/71/1018820471.db2.gz VVYYMQKMLUDITP-HOCLYGCPSA-N 1 2 339.439 3.640 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412699945 1018906054 /nfs/dbraw/zinc/90/60/54/1018906054.db2.gz QDCORPBALUIDEI-CQSZACIVSA-N 1 2 346.521 3.817 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412699945 1018906063 /nfs/dbraw/zinc/90/60/63/1018906063.db2.gz QDCORPBALUIDEI-CQSZACIVSA-N 1 2 346.521 3.817 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668414620 1018951750 /nfs/dbraw/zinc/95/17/50/1018951750.db2.gz FFIBOWXCMUPQFM-KURKYZTESA-N 1 2 327.472 3.514 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419376714 1018977735 /nfs/dbraw/zinc/97/77/35/1018977735.db2.gz SNSWETVWHLLHAT-WCQYABFASA-N 1 2 327.519 3.601 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419376714 1018977750 /nfs/dbraw/zinc/97/77/50/1018977750.db2.gz SNSWETVWHLLHAT-WCQYABFASA-N 1 2 327.519 3.601 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000473504114 1019063122 /nfs/dbraw/zinc/06/31/22/1019063122.db2.gz OHQKFKSZAHHVNB-IKGGRYGDSA-N 1 2 340.471 3.507 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH]c[nH+]2)nc1-c1ccc(C)cc1 ZINC000349759867 1019077815 /nfs/dbraw/zinc/07/78/15/1019077815.db2.gz UEGVYEFINPYSPY-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH+]c[nH]2)nc1-c1ccc(C)cc1 ZINC000349759867 1019077830 /nfs/dbraw/zinc/07/78/30/1019077830.db2.gz UEGVYEFINPYSPY-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Oc1cccnc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000580342324 1019105700 /nfs/dbraw/zinc/10/57/00/1019105700.db2.gz YATLJGJOXOLOKB-SFHVURJKSA-N 1 2 334.423 3.905 20 0 EHADLO Oc1cccnc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000580342324 1019105706 /nfs/dbraw/zinc/10/57/06/1019105706.db2.gz YATLJGJOXOLOKB-SFHVURJKSA-N 1 2 334.423 3.905 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000449563937 1032814619 /nfs/dbraw/zinc/81/46/19/1032814619.db2.gz ZTWOMTZSQQZHQN-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528785872 1032818315 /nfs/dbraw/zinc/81/83/15/1032818315.db2.gz CPKYHQNBIRIBCX-OAHLLOKOSA-N 1 2 333.819 3.571 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528785872 1032818330 /nfs/dbraw/zinc/81/83/30/1032818330.db2.gz CPKYHQNBIRIBCX-OAHLLOKOSA-N 1 2 333.819 3.571 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528787239 1032821673 /nfs/dbraw/zinc/82/16/73/1032821673.db2.gz IDYNQXMTSHYBDC-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528787239 1032821682 /nfs/dbraw/zinc/82/16/82/1032821682.db2.gz IDYNQXMTSHYBDC-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1 ZINC000580423660 1019347813 /nfs/dbraw/zinc/34/78/13/1019347813.db2.gz FOXIMNSPVMXPCK-CYBMUJFWSA-N 1 2 349.377 3.537 20 0 EHADLO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1 ZINC000580423660 1019347822 /nfs/dbraw/zinc/34/78/22/1019347822.db2.gz FOXIMNSPVMXPCK-CYBMUJFWSA-N 1 2 349.377 3.537 20 0 EHADLO CCc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)s1 ZINC000729408901 1019349642 /nfs/dbraw/zinc/34/96/42/1019349642.db2.gz PDXSRNLJTMLKSZ-CQSZACIVSA-N 1 2 344.480 3.956 20 0 EHADLO C[C@H](c1cccc(NC(=O)C=C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000729408871 1019350477 /nfs/dbraw/zinc/35/04/77/1019350477.db2.gz CTKFFWRVSLTQPK-MRXNPFEDSA-N 1 2 328.456 3.909 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000580447724 1019375889 /nfs/dbraw/zinc/37/58/89/1019375889.db2.gz QIBCLMGLRHNXCU-GJZGRUSLSA-N 1 2 325.456 3.560 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000580447724 1019375910 /nfs/dbraw/zinc/37/59/10/1019375910.db2.gz QIBCLMGLRHNXCU-GJZGRUSLSA-N 1 2 325.456 3.560 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000513176270 1019385032 /nfs/dbraw/zinc/38/50/32/1019385032.db2.gz PJACIIOTIWLLCQ-HNNXBMFYSA-N 1 2 337.398 3.604 20 0 EHADLO c1ccc2cc(OCCNc3cc(N4CCCC4)nc[nH+]3)ccc2c1 ZINC000433609997 1019438150 /nfs/dbraw/zinc/43/81/50/1019438150.db2.gz YHUNMAIEOBCHPT-UHFFFAOYSA-N 1 2 334.423 3.721 20 0 EHADLO c1ccc2cc(OCCNc3cc(N4CCCC4)[nH+]cn3)ccc2c1 ZINC000433609997 1019438159 /nfs/dbraw/zinc/43/81/59/1019438159.db2.gz YHUNMAIEOBCHPT-UHFFFAOYSA-N 1 2 334.423 3.721 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001203397359 1019502670 /nfs/dbraw/zinc/50/26/70/1019502670.db2.gz VAWFXGZARHSVKB-AWEZNQCLSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001203397359 1019502682 /nfs/dbraw/zinc/50/26/82/1019502682.db2.gz VAWFXGZARHSVKB-AWEZNQCLSA-N 1 2 338.238 3.827 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275907197 1019584758 /nfs/dbraw/zinc/58/47/58/1019584758.db2.gz IWGLRHUTUCZYBQ-IBGZPJMESA-N 1 2 338.455 3.584 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275907197 1019584776 /nfs/dbraw/zinc/58/47/76/1019584776.db2.gz IWGLRHUTUCZYBQ-IBGZPJMESA-N 1 2 338.455 3.584 20 0 EHADLO CCOc1ccc([C@@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OCC ZINC000433771917 1019584857 /nfs/dbraw/zinc/58/48/57/1019584857.db2.gz AHEKINWLAHMLBP-GFCCVEGCSA-N 1 2 340.427 3.659 20 0 EHADLO Fc1ccc([C@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000433771527 1019586615 /nfs/dbraw/zinc/58/66/15/1019586615.db2.gz QWNAQMPRVSAAKZ-INIZCTEOSA-N 1 2 340.446 3.990 20 0 EHADLO Fc1ccc([C@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000433771527 1019586620 /nfs/dbraw/zinc/58/66/20/1019586620.db2.gz QWNAQMPRVSAAKZ-INIZCTEOSA-N 1 2 340.446 3.990 20 0 EHADLO CCCOc1ccc([C@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000433785608 1019615685 /nfs/dbraw/zinc/61/56/85/1019615685.db2.gz SOPQMPYGQRUDEO-LBPRGKRZSA-N 1 2 340.427 3.659 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1c[nH+]cn1C ZINC000291767298 1019639341 /nfs/dbraw/zinc/63/93/41/1019639341.db2.gz FDEXSTYHASXHEH-JTQLQIEISA-N 1 2 341.242 3.630 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000683996330 1019697067 /nfs/dbraw/zinc/69/70/67/1019697067.db2.gz PGQYPKHQNMNYLD-VXGBXAGGSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000683996330 1019697077 /nfs/dbraw/zinc/69/70/77/1019697077.db2.gz PGQYPKHQNMNYLD-VXGBXAGGSA-N 1 2 345.306 3.544 20 0 EHADLO CC(C)(C(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000548121299 1019788275 /nfs/dbraw/zinc/78/82/75/1019788275.db2.gz DMEDCDWIBWZTBV-UHFFFAOYSA-N 1 2 337.826 3.550 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)COc2ccc(C(C)C)cc2)c1C ZINC000050448983 1019929753 /nfs/dbraw/zinc/92/97/53/1019929753.db2.gz RBZGVIGJKDMRCX-UHFFFAOYSA-N 1 2 342.439 3.526 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506251 1019949279 /nfs/dbraw/zinc/94/92/79/1019949279.db2.gz VYZBUFZUAQNLAQ-OXQOHEQNSA-N 1 2 343.471 3.604 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506251 1019949290 /nfs/dbraw/zinc/94/92/90/1019949290.db2.gz VYZBUFZUAQNLAQ-OXQOHEQNSA-N 1 2 343.471 3.604 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccnc2)CCCC1 ZINC000340780272 1019976620 /nfs/dbraw/zinc/97/66/20/1019976620.db2.gz SNXDBMRQWMNQHR-UHFFFAOYSA-N 1 2 332.407 3.718 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c(C(C)=O)c1 ZINC000280031935 1019998087 /nfs/dbraw/zinc/99/80/87/1019998087.db2.gz FJZRIMZRQNVTJT-UHFFFAOYSA-N 1 2 341.455 3.509 20 0 EHADLO c1csc(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)n1 ZINC001204547035 1020036061 /nfs/dbraw/zinc/03/60/61/1020036061.db2.gz WXNUOEBMVPKNTA-UHFFFAOYSA-N 1 2 326.425 3.573 20 0 EHADLO OCC[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000606892139 1032875824 /nfs/dbraw/zinc/87/58/24/1032875824.db2.gz IYJGZPXFBCUNKL-GFCCVEGCSA-N 1 2 335.245 3.596 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160677538 1020182263 /nfs/dbraw/zinc/18/22/63/1020182263.db2.gz LRBBJDWGEGHVGI-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160677538 1020182274 /nfs/dbraw/zinc/18/22/74/1020182274.db2.gz LRBBJDWGEGHVGI-MRXNPFEDSA-N 1 2 347.821 3.502 20 0 EHADLO CC(C)n1nccc1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000280240433 1020224180 /nfs/dbraw/zinc/22/41/80/1020224180.db2.gz JZLGSSPKNWFLLS-UHFFFAOYSA-N 1 2 340.496 3.996 20 0 EHADLO CC(C)c1csc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)n1 ZINC000280277563 1020273972 /nfs/dbraw/zinc/27/39/72/1020273972.db2.gz MMMMSYQXOIAHTN-UHFFFAOYSA-N 1 2 330.432 3.881 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCc3occc3C2)C2CC2)cc1 ZINC000581019078 1020361553 /nfs/dbraw/zinc/36/15/53/1020361553.db2.gz DUDSMJBUFLZTFB-NRFANRHFSA-N 1 2 338.451 3.604 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCCc3occc3C2)C2CC2)cc1 ZINC000581019078 1020361565 /nfs/dbraw/zinc/36/15/65/1020361565.db2.gz DUDSMJBUFLZTFB-NRFANRHFSA-N 1 2 338.451 3.604 20 0 EHADLO OC[C@@H](C1CC1)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000155975958 1020378307 /nfs/dbraw/zinc/37/83/07/1020378307.db2.gz QJTKDILFHPAHLM-IBGZPJMESA-N 1 2 349.434 3.510 20 0 EHADLO OC[C@@H](C1CC1)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000155975958 1020378317 /nfs/dbraw/zinc/37/83/17/1020378317.db2.gz QJTKDILFHPAHLM-IBGZPJMESA-N 1 2 349.434 3.510 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2nccs2)C2CC2)C1 ZINC001204551042 1020409854 /nfs/dbraw/zinc/40/98/54/1020409854.db2.gz ZTTBJXQTMNIVJJ-CQSZACIVSA-N 1 2 337.489 3.507 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2nccs2)C2CC2)C1 ZINC001204551042 1020409859 /nfs/dbraw/zinc/40/98/59/1020409859.db2.gz ZTTBJXQTMNIVJJ-CQSZACIVSA-N 1 2 337.489 3.507 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(C)c(C)c3)CCC2)n1 ZINC000345666098 1020416863 /nfs/dbraw/zinc/41/68/63/1020416863.db2.gz UPTFEITUGAEICF-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO CC1(c2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)no2)CCCC1 ZINC000684151517 1020466046 /nfs/dbraw/zinc/46/60/46/1020466046.db2.gz RTQKEWUCNXSUQI-UHFFFAOYSA-N 1 2 336.395 3.944 20 0 EHADLO Cc1ccc([C@@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)cc1 ZINC000280591859 1020499913 /nfs/dbraw/zinc/49/99/13/1020499913.db2.gz WYYLCWACNIFSTP-OAQYLSRUSA-N 1 2 345.450 3.982 20 0 EHADLO Cc1ccc([C@@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)cc1 ZINC000280591859 1020499917 /nfs/dbraw/zinc/49/99/17/1020499917.db2.gz WYYLCWACNIFSTP-OAQYLSRUSA-N 1 2 345.450 3.982 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)o1 ZINC000093809732 1032906817 /nfs/dbraw/zinc/90/68/17/1032906817.db2.gz PNXIDPMHMXZZSK-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)o1 ZINC000093809732 1032906831 /nfs/dbraw/zinc/90/68/31/1032906831.db2.gz PNXIDPMHMXZZSK-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C34CCC(CC3)C4)n2)CC1 ZINC000345830531 1020534347 /nfs/dbraw/zinc/53/43/47/1020534347.db2.gz FKGZDMHYMSTNIF-UHFFFAOYSA-N 1 2 333.501 3.894 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(-c3cccc4c3CCCC4)nn2)cc1 ZINC000656432392 1020552153 /nfs/dbraw/zinc/55/21/53/1020552153.db2.gz HTEQQQBFHKLBKP-UHFFFAOYSA-N 1 2 336.414 3.575 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2cccc(C(F)F)c2)C2CCOCC2)n1 ZINC000345838091 1020567238 /nfs/dbraw/zinc/56/72/38/1020567238.db2.gz QZIGDFMIMYGPCY-HNNXBMFYSA-N 1 2 337.370 3.573 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccoc2Cl)c1)[NH+]1CCOCC1 ZINC000345868859 1020580740 /nfs/dbraw/zinc/58/07/40/1020580740.db2.gz GGHBXUOFXGBWFP-LBPRGKRZSA-N 1 2 334.803 3.579 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C[C@H]1n1cc[nH+]c1 ZINC000345941896 1020609451 /nfs/dbraw/zinc/60/94/51/1020609451.db2.gz GZSDCPLGUYTOAY-FOIQADDNSA-N 1 2 345.446 3.858 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280746977 1020610489 /nfs/dbraw/zinc/61/04/89/1020610489.db2.gz CKGLBAJVQFPXJA-GFCCVEGCSA-N 1 2 339.361 3.591 20 0 EHADLO CC[C@H](c1ccccc1F)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000656460811 1020628626 /nfs/dbraw/zinc/62/86/26/1020628626.db2.gz JSTNCWQEYBAYJQ-LJQANCHMSA-N 1 2 342.393 3.846 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345957585 1020630508 /nfs/dbraw/zinc/63/05/08/1020630508.db2.gz BWVRJSSTKHUHER-OYSTVDSJSA-N 1 2 347.503 3.667 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000581284655 1020637419 /nfs/dbraw/zinc/63/74/19/1020637419.db2.gz PCYPKODJLMNLEU-DZOHQFGASA-N 1 2 341.455 3.935 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000581284655 1020637426 /nfs/dbraw/zinc/63/74/26/1020637426.db2.gz PCYPKODJLMNLEU-DZOHQFGASA-N 1 2 341.455 3.935 20 0 EHADLO COc1ccc(Cl)cc1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000340949617 1020667669 /nfs/dbraw/zinc/66/76/69/1020667669.db2.gz HHZHDXAHFHLJHH-UHFFFAOYSA-N 1 2 329.787 3.715 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)[C@H](C)C1 ZINC000933173438 1020724144 /nfs/dbraw/zinc/72/41/44/1020724144.db2.gz FKKUMFILFCIPHG-CHWSQXEVSA-N 1 2 348.443 3.723 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)[C@H](C)C1 ZINC000933173438 1020724149 /nfs/dbraw/zinc/72/41/49/1020724149.db2.gz FKKUMFILFCIPHG-CHWSQXEVSA-N 1 2 348.443 3.723 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000606971226 1032929523 /nfs/dbraw/zinc/92/95/23/1032929523.db2.gz ACRVUZJDFOVMIA-KRWDZBQOSA-N 1 2 326.444 3.737 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340982157 1020750299 /nfs/dbraw/zinc/75/02/99/1020750299.db2.gz ZDTFNBHBKFOSDC-UXHICEINSA-N 1 2 349.478 3.882 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c(OC)c1 ZINC000069748841 1020798939 /nfs/dbraw/zinc/79/89/39/1020798939.db2.gz ADRXGXUAFUSUPJ-DOMZBBRYSA-N 1 2 331.412 3.719 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2nccc(C)c2Br)s1 ZINC000865703150 1032932862 /nfs/dbraw/zinc/93/28/62/1032932862.db2.gz VIIMTRLFJHMCLI-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000341020193 1020868609 /nfs/dbraw/zinc/86/86/09/1020868609.db2.gz GEACBXMTMMFCFA-UHFFFAOYSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000092145017 1020872118 /nfs/dbraw/zinc/87/21/18/1020872118.db2.gz NSDYBUSJSYEQOM-QGZVFWFLSA-N 1 2 348.406 3.623 20 0 EHADLO CCCCS[C@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000341041393 1020898101 /nfs/dbraw/zinc/89/81/01/1020898101.db2.gz MUMSUSJVMVZNQS-CYBMUJFWSA-N 1 2 341.546 3.989 20 0 EHADLO Cc1[nH+]ccn1CCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000760425749 1032942851 /nfs/dbraw/zinc/94/28/51/1032942851.db2.gz IWRRQINXQFMJLF-UHFFFAOYSA-N 1 2 328.199 3.623 20 0 EHADLO Cc1cc2c(s1)N(c1c(N)nccc1F)c1ccccc1NC2=[NH2+] ZINC001167463487 1020919977 /nfs/dbraw/zinc/91/99/77/1020919977.db2.gz SVVWTOVFATTYMD-UHFFFAOYSA-N 1 2 339.399 3.993 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684274940 1020970418 /nfs/dbraw/zinc/97/04/18/1020970418.db2.gz KDOBMRXIVNFTPT-QFBILLFUSA-N 1 2 349.434 3.667 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001143394609 1021015217 /nfs/dbraw/zinc/01/52/17/1021015217.db2.gz JHYKYCPGQZEWNG-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001143394609 1021015223 /nfs/dbraw/zinc/01/52/23/1021015223.db2.gz JHYKYCPGQZEWNG-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO CC[C@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1nccs1 ZINC000072683800 1021015303 /nfs/dbraw/zinc/01/53/03/1021015303.db2.gz VSYBUJBBKOLJSY-HNNXBMFYSA-N 1 2 341.839 3.789 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)o1 ZINC000631142143 1021055337 /nfs/dbraw/zinc/05/53/37/1021055337.db2.gz JNZZZLLIEHFXAV-UHFFFAOYSA-N 1 2 338.835 3.896 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)c(Cl)c1 ZINC000605434218 1021067268 /nfs/dbraw/zinc/06/72/68/1021067268.db2.gz ONZHQWLHERRVHE-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000449643326 1032952236 /nfs/dbraw/zinc/95/22/36/1032952236.db2.gz AHRIJUINMZHWAC-KBPBESRZSA-N 1 2 343.496 3.722 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001125515849 1021094230 /nfs/dbraw/zinc/09/42/30/1021094230.db2.gz QOTJJZPYOTZINZ-UXHICEINSA-N 1 2 349.409 3.821 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001125515850 1021094251 /nfs/dbraw/zinc/09/42/51/1021094251.db2.gz QOTJJZPYOTZINZ-VQTJNVASSA-N 1 2 349.409 3.821 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1(C2CCCCC2)CC1 ZINC001125518278 1021104986 /nfs/dbraw/zinc/10/49/86/1021104986.db2.gz KKROTIHBCMBBLT-UHFFFAOYSA-N 1 2 342.483 3.818 20 0 EHADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000581581786 1021108727 /nfs/dbraw/zinc/10/87/27/1021108727.db2.gz UDOGZCUBOGMBPZ-QGZVFWFLSA-N 1 2 349.862 3.537 20 0 EHADLO COc1cccc(/C(C)=C\C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000255327484 1021115810 /nfs/dbraw/zinc/11/58/10/1021115810.db2.gz PNRSSKQTBPPNNN-VBKFSLOCSA-N 1 2 347.418 3.601 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000656683069 1021160463 /nfs/dbraw/zinc/16/04/63/1021160463.db2.gz XGLLLOVJDBEZMP-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656686779 1021169095 /nfs/dbraw/zinc/16/90/95/1021169095.db2.gz WHGKNXMGOYGTPX-UHFFFAOYSA-N 1 2 331.288 3.739 20 0 EHADLO Cc1cc(C[NH2+]C(C)(C)c2nc(C)no2)sc1Br ZINC000341255025 1021202748 /nfs/dbraw/zinc/20/27/48/1021202748.db2.gz PQNUEFJZSKARQT-UHFFFAOYSA-N 1 2 330.251 3.535 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341265786 1021241175 /nfs/dbraw/zinc/24/11/75/1021241175.db2.gz CHOOSVAYOBSYBN-LJQANCHMSA-N 1 2 331.419 3.849 20 0 EHADLO Cc1nnsc1C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000426314109 1021246456 /nfs/dbraw/zinc/24/64/56/1021246456.db2.gz WIILNSKSWRYTOO-QGZVFWFLSA-N 1 2 328.416 3.568 20 0 EHADLO CCc1cccnc1[C@@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000507440334 1021266952 /nfs/dbraw/zinc/26/69/52/1021266952.db2.gz IASSLKSNRPKDAC-OWCLPIDISA-N 1 2 340.471 3.826 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2CCc2ccccc21)c1ccon1 ZINC000440501819 1021283394 /nfs/dbraw/zinc/28/33/94/1021283394.db2.gz GCODPULHJLJHEC-HNNXBMFYSA-N 1 2 347.418 3.789 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 ZINC000644905721 1021285947 /nfs/dbraw/zinc/28/59/47/1021285947.db2.gz KQTODPCBQMDTOH-VHZYLWGESA-N 1 2 337.467 3.646 20 0 EHADLO O=C1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C2(CCC2)C1 ZINC000516310469 1021288415 /nfs/dbraw/zinc/28/84/15/1021288415.db2.gz KLNTUPNUDMATIU-UHFFFAOYSA-N 1 2 327.346 3.715 20 0 EHADLO O=C1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C2(CCC2)C1 ZINC000516310469 1021288420 /nfs/dbraw/zinc/28/84/20/1021288420.db2.gz KLNTUPNUDMATIU-UHFFFAOYSA-N 1 2 327.346 3.715 20 0 EHADLO CC(C)n1ccnc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000656772057 1021315449 /nfs/dbraw/zinc/31/54/49/1021315449.db2.gz ANTPMAHGLIJXOU-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000425645827 1021323915 /nfs/dbraw/zinc/32/39/15/1021323915.db2.gz DLDFVHDBQXFESZ-ZACQAIPSSA-N 1 2 345.487 3.732 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000664871794 1021333177 /nfs/dbraw/zinc/33/31/77/1021333177.db2.gz MCZLRCFDOFTTIJ-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000664871794 1021333194 /nfs/dbraw/zinc/33/31/94/1021333194.db2.gz MCZLRCFDOFTTIJ-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)c(C)c1OC ZINC000518604296 1021364382 /nfs/dbraw/zinc/36/43/82/1021364382.db2.gz VGZNALFRYJKVRB-AWEZNQCLSA-N 1 2 329.444 3.829 20 0 EHADLO CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC000153923873 1032976670 /nfs/dbraw/zinc/97/66/70/1032976670.db2.gz ZELVYPXLHHCDPK-ZWKOTPCHSA-N 1 2 338.455 3.601 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439474049 1021469631 /nfs/dbraw/zinc/46/96/31/1021469631.db2.gz WRUQMCZIXCZTOA-UHFFFAOYSA-N 1 2 327.403 3.903 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439474049 1021469639 /nfs/dbraw/zinc/46/96/39/1021469639.db2.gz WRUQMCZIXCZTOA-UHFFFAOYSA-N 1 2 327.403 3.903 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000439486980 1021478945 /nfs/dbraw/zinc/47/89/45/1021478945.db2.gz OKQGEYWIBIBCMY-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000439486980 1021478951 /nfs/dbraw/zinc/47/89/51/1021478951.db2.gz OKQGEYWIBIBCMY-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccncc3F)CC2)c(C)c1 ZINC000516537844 1021537509 /nfs/dbraw/zinc/53/75/09/1021537509.db2.gz XTXYHCUETADYLE-UHFFFAOYSA-N 1 2 326.415 3.932 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(Nc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000473878217 1021539882 /nfs/dbraw/zinc/53/98/82/1021539882.db2.gz SELNOWAVBCMJLG-INIZCTEOSA-N 1 2 334.423 3.693 20 0 EHADLO CC(C)C[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000607108763 1032987676 /nfs/dbraw/zinc/98/76/76/1032987676.db2.gz LQAWPDKBANQBFG-OAQYLSRUSA-N 1 2 336.479 3.948 20 0 EHADLO CC[C@@H](F)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000440579651 1021616146 /nfs/dbraw/zinc/61/61/46/1021616146.db2.gz SBUJNNRVBQSTEF-NWDGAFQWSA-N 1 2 340.443 3.869 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000341381291 1021622859 /nfs/dbraw/zinc/62/28/59/1021622859.db2.gz URAZFNHNNLCPNH-OAHLLOKOSA-N 1 2 342.270 3.902 20 0 EHADLO O=C(Nc1cc(C(F)F)ccc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000516673835 1021643543 /nfs/dbraw/zinc/64/35/43/1021643543.db2.gz HCYXAEVQRAXIGB-JTQLQIEISA-N 1 2 340.761 3.611 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(OC)c(O)cc2Cl)cs1 ZINC000638638436 1021646399 /nfs/dbraw/zinc/64/63/99/1021646399.db2.gz FWWCEGURBZLQBW-VIFPVBQESA-N 1 2 326.849 3.924 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)n1 ZINC000440614468 1021654928 /nfs/dbraw/zinc/65/49/28/1021654928.db2.gz SLZGQRKLXIWNKQ-UHFFFAOYSA-N 1 2 328.460 3.683 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)n1 ZINC000083247843 1021705914 /nfs/dbraw/zinc/70/59/14/1021705914.db2.gz WOVPVDPSDOSQDI-GOSISDBHSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)n1 ZINC000083247843 1021705930 /nfs/dbraw/zinc/70/59/30/1021705930.db2.gz WOVPVDPSDOSQDI-GOSISDBHSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)c1 ZINC000519832778 1021710143 /nfs/dbraw/zinc/71/01/43/1021710143.db2.gz MAMIDPBSDPAQDA-LLVKDONJSA-N 1 2 327.375 3.855 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)c1 ZINC000519832778 1021710157 /nfs/dbraw/zinc/71/01/57/1021710157.db2.gz MAMIDPBSDPAQDA-LLVKDONJSA-N 1 2 327.375 3.855 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCc1ccccc1)c1ccccc1 ZINC000440712083 1021729504 /nfs/dbraw/zinc/72/95/04/1021729504.db2.gz DLIHFJRXGWQHIV-LJQANCHMSA-N 1 2 345.446 3.721 20 0 EHADLO C[C@H](CC(=O)N1CCC(Oc2ccccc2Cl)CC1)n1cc[nH+]c1 ZINC000516774096 1021731589 /nfs/dbraw/zinc/73/15/89/1021731589.db2.gz GWROMYUXKCSEOW-CQSZACIVSA-N 1 2 347.846 3.558 20 0 EHADLO Clc1cnn([C@H]2CC[N@H+](Cc3cc(Br)cs3)C2)c1 ZINC000289411848 1021732001 /nfs/dbraw/zinc/73/20/01/1021732001.db2.gz AJEZFGSBFHTOOB-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO Clc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)cs3)C2)c1 ZINC000289411848 1021732017 /nfs/dbraw/zinc/73/20/17/1021732017.db2.gz AJEZFGSBFHTOOB-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO Oc1c(Br)cccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000155930792 1021738838 /nfs/dbraw/zinc/73/88/38/1021738838.db2.gz KSSCPAQZPPMZMU-UHFFFAOYSA-N 1 2 344.212 3.953 20 0 EHADLO CCC[N@H+](CCn1c(C)csc1=O)Cc1c(F)cccc1Cl ZINC000519907441 1021756479 /nfs/dbraw/zinc/75/64/79/1021756479.db2.gz YSGRSVFXXVVJKB-UHFFFAOYSA-N 1 2 342.867 3.923 20 0 EHADLO CCC[N@@H+](CCn1c(C)csc1=O)Cc1c(F)cccc1Cl ZINC000519907441 1021756493 /nfs/dbraw/zinc/75/64/93/1021756493.db2.gz YSGRSVFXXVVJKB-UHFFFAOYSA-N 1 2 342.867 3.923 20 0 EHADLO CC(C)CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCCc2cccnc21 ZINC000516876535 1021806752 /nfs/dbraw/zinc/80/67/52/1021806752.db2.gz ACKYPSOQGSYSHR-YJBOKZPZSA-N 1 2 340.471 3.546 20 0 EHADLO CC(C)CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCCc2cccnc21 ZINC000516876535 1021806769 /nfs/dbraw/zinc/80/67/69/1021806769.db2.gz ACKYPSOQGSYSHR-YJBOKZPZSA-N 1 2 340.471 3.546 20 0 EHADLO CCn1ccnc1C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593685934 1033008554 /nfs/dbraw/zinc/00/85/54/1033008554.db2.gz BWPHGVJXGDDMGD-IRXDYDNUSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000593698391 1033011161 /nfs/dbraw/zinc/01/11/61/1033011161.db2.gz UFECASSYMSGHHT-OAHLLOKOSA-N 1 2 347.459 3.541 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000593698391 1033011165 /nfs/dbraw/zinc/01/11/65/1033011165.db2.gz UFECASSYMSGHHT-OAHLLOKOSA-N 1 2 347.459 3.541 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000440906230 1021859279 /nfs/dbraw/zinc/85/92/79/1021859279.db2.gz SQKUDRMWPIWYES-RYRKJORJSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000440906230 1021859286 /nfs/dbraw/zinc/85/92/86/1021859286.db2.gz SQKUDRMWPIWYES-RYRKJORJSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000440916144 1021864433 /nfs/dbraw/zinc/86/44/33/1021864433.db2.gz JGCBEICTELKIAM-JFIYKMOQSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000440916144 1021864445 /nfs/dbraw/zinc/86/44/45/1021864445.db2.gz JGCBEICTELKIAM-JFIYKMOQSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000516936679 1021870959 /nfs/dbraw/zinc/87/09/59/1021870959.db2.gz KOLTXVJLTDVAED-ZDUSSCGKSA-N 1 2 339.361 3.570 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000516936679 1021870971 /nfs/dbraw/zinc/87/09/71/1021870971.db2.gz KOLTXVJLTDVAED-ZDUSSCGKSA-N 1 2 339.361 3.570 20 0 EHADLO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc(F)cc1Cl)C2)C(C)C ZINC001280302739 1021888134 /nfs/dbraw/zinc/88/81/34/1021888134.db2.gz DWJJXHLXRSMBKG-HNNXBMFYSA-N 1 2 338.854 3.558 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440965818 1021898214 /nfs/dbraw/zinc/89/82/14/1021898214.db2.gz HZCSTILKSOGOOD-QZTJIDSGSA-N 1 2 344.499 3.782 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440965818 1021898225 /nfs/dbraw/zinc/89/82/25/1021898225.db2.gz HZCSTILKSOGOOD-QZTJIDSGSA-N 1 2 344.499 3.782 20 0 EHADLO Cc1csc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1Cl ZINC000276592766 1021931419 /nfs/dbraw/zinc/93/14/19/1021931419.db2.gz BGEIFNQLCRBBIG-UHFFFAOYSA-N 1 2 340.901 3.560 20 0 EHADLO Cc1csc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1Cl ZINC000276592766 1021931431 /nfs/dbraw/zinc/93/14/31/1021931431.db2.gz BGEIFNQLCRBBIG-UHFFFAOYSA-N 1 2 340.901 3.560 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000519213389 1021935082 /nfs/dbraw/zinc/93/50/82/1021935082.db2.gz VVBJNVOGMKCJSL-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000519213389 1021935093 /nfs/dbraw/zinc/93/50/93/1021935093.db2.gz VVBJNVOGMKCJSL-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(C)C3)n2)C1 ZINC000437544339 1021944772 /nfs/dbraw/zinc/94/47/72/1021944772.db2.gz FHKPLHKWHINPOF-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(C)C3)n2)C1 ZINC000437544339 1021944783 /nfs/dbraw/zinc/94/47/83/1021944783.db2.gz FHKPLHKWHINPOF-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H](Nc1cc(COC)cc[nH+]1)CCC2 ZINC000593724223 1033018316 /nfs/dbraw/zinc/01/83/16/1033018316.db2.gz AWGZQMQPLYRKBR-CQSZACIVSA-N 1 2 344.411 3.796 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cc3c(cccc3F)[nH]1)CC2 ZINC000437579064 1021964363 /nfs/dbraw/zinc/96/43/63/1021964363.db2.gz NEQAPOHHLZFLLG-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3c(cccc3F)[nH]1)CC2 ZINC000437579064 1021964369 /nfs/dbraw/zinc/96/43/69/1021964369.db2.gz NEQAPOHHLZFLLG-UHFFFAOYSA-N 1 2 340.398 3.883 20 0 EHADLO CCCCCNC(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000298989287 1021964816 /nfs/dbraw/zinc/96/48/16/1021964816.db2.gz PXCWLOLUDYFOMR-SNVBAGLBSA-N 1 2 337.411 3.509 20 0 EHADLO CCOC(=O)[C@H]1CC[C@H](Nc2cc(COC)cc[nH+]2)c2ccccc21 ZINC000593725983 1033020631 /nfs/dbraw/zinc/02/06/31/1033020631.db2.gz ULIJZGYVTQWRDQ-ROUUACIJSA-N 1 2 340.423 3.822 20 0 EHADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000506789489 1022011487 /nfs/dbraw/zinc/01/14/87/1022011487.db2.gz VSHIFRQQYVWNHU-UHFFFAOYSA-N 1 2 332.444 3.927 20 0 EHADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000506789489 1022011501 /nfs/dbraw/zinc/01/15/01/1022011501.db2.gz VSHIFRQQYVWNHU-UHFFFAOYSA-N 1 2 332.444 3.927 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccccc3Cl)C2)nc(C2CC2)[nH+]1 ZINC000341496360 1022035929 /nfs/dbraw/zinc/03/59/29/1022035929.db2.gz KSELQUZJWUEQJB-INIZCTEOSA-N 1 2 329.831 3.894 20 0 EHADLO COC(=O)c1oc(C[N@H+](C)Cc2cc(Cl)ccc2OC)cc1C ZINC000506095189 1022044830 /nfs/dbraw/zinc/04/48/30/1022044830.db2.gz UABOOLFKDGMONM-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO COC(=O)c1oc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)cc1C ZINC000506095189 1022044847 /nfs/dbraw/zinc/04/48/47/1022044847.db2.gz UABOOLFKDGMONM-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO CC(C)Cc1ncc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)s1 ZINC000341519309 1022055406 /nfs/dbraw/zinc/05/54/06/1022055406.db2.gz NWIPZLJUDIMJJO-AWEZNQCLSA-N 1 2 342.867 3.957 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3c(Cl)cnn3C)CC2)cc1 ZINC000188327268 1022095224 /nfs/dbraw/zinc/09/52/24/1022095224.db2.gz SUAKEHXCDGGARP-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3c(Cl)cnn3C)CC2)cc1 ZINC000188327268 1022095238 /nfs/dbraw/zinc/09/52/38/1022095238.db2.gz SUAKEHXCDGGARP-UHFFFAOYSA-N 1 2 331.847 3.762 20 0 EHADLO C[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H]1CCCCO1 ZINC000440329820 1022095485 /nfs/dbraw/zinc/09/54/85/1022095485.db2.gz VATVKJJTVAMRJC-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO C[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H]1CCCCO1 ZINC000440329820 1022095492 /nfs/dbraw/zinc/09/54/92/1022095492.db2.gz VATVKJJTVAMRJC-SFHVURJKSA-N 1 2 330.497 3.929 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000517172954 1022106429 /nfs/dbraw/zinc/10/64/29/1022106429.db2.gz REYUEQSQQXUEFJ-UZLBHIALSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000517172954 1022106437 /nfs/dbraw/zinc/10/64/37/1022106437.db2.gz REYUEQSQQXUEFJ-UZLBHIALSA-N 1 2 325.456 3.559 20 0 EHADLO COCCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000707389026 1022107465 /nfs/dbraw/zinc/10/74/65/1022107465.db2.gz IRLUHHUIVVRNEQ-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000426635599 1022116083 /nfs/dbraw/zinc/11/60/83/1022116083.db2.gz WYHYOJPAHPKABZ-HUUCEWRRSA-N 1 2 348.516 3.783 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214053 1022124068 /nfs/dbraw/zinc/12/40/68/1022124068.db2.gz NBIDALOWGRPEHE-KBRIMQKVSA-N 1 2 344.282 3.918 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214053 1022124082 /nfs/dbraw/zinc/12/40/82/1022124082.db2.gz NBIDALOWGRPEHE-KBRIMQKVSA-N 1 2 344.282 3.918 20 0 EHADLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1nc(C(C)(C)C)co1 ZINC000894410973 1022197498 /nfs/dbraw/zinc/19/74/98/1022197498.db2.gz AQPAEDLNUGWDQO-UHFFFAOYSA-N 1 2 340.427 3.697 20 0 EHADLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1nc(C(C)(C)C)co1 ZINC000894410973 1022197508 /nfs/dbraw/zinc/19/75/08/1022197508.db2.gz AQPAEDLNUGWDQO-UHFFFAOYSA-N 1 2 340.427 3.697 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000894908792 1022217608 /nfs/dbraw/zinc/21/76/08/1022217608.db2.gz GLJVXOIMKPISLX-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000894908792 1022217617 /nfs/dbraw/zinc/21/76/17/1022217617.db2.gz GLJVXOIMKPISLX-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000425929340 1022235468 /nfs/dbraw/zinc/23/54/68/1022235468.db2.gz ZXCDLCGPRXKZRM-QFBILLFUSA-N 1 2 348.450 3.730 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000437889528 1022248289 /nfs/dbraw/zinc/24/82/89/1022248289.db2.gz NTXUDCLELGRLQT-GOSISDBHSA-N 1 2 345.874 3.743 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000437889528 1022248300 /nfs/dbraw/zinc/24/83/00/1022248300.db2.gz NTXUDCLELGRLQT-GOSISDBHSA-N 1 2 345.874 3.743 20 0 EHADLO Cc1csc2c1nc(Cl)nc2N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167990381 1022260954 /nfs/dbraw/zinc/26/09/54/1022260954.db2.gz RXQTWTYJMUNUIE-UHFFFAOYSA-N 1 2 335.795 3.824 20 0 EHADLO CC(C)(C)c1nc(N(C(N)=[NH2+])c2ccc(F)cc2)nc(C(C)(C)C)n1 ZINC001167990571 1022271020 /nfs/dbraw/zinc/27/10/20/1022271020.db2.gz WZFWOMYIJYSWIJ-UHFFFAOYSA-N 1 2 344.438 3.637 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1=S ZINC000172952191 1033045541 /nfs/dbraw/zinc/04/55/41/1033045541.db2.gz XVQUBYWNWUGOFU-OAHLLOKOSA-N 1 2 338.521 3.550 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1=S ZINC000172952191 1033045554 /nfs/dbraw/zinc/04/55/54/1033045554.db2.gz XVQUBYWNWUGOFU-OAHLLOKOSA-N 1 2 338.521 3.550 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)nc1 ZINC000894472495 1022337429 /nfs/dbraw/zinc/33/74/29/1022337429.db2.gz SIUCFIZLPRWMJI-UHFFFAOYSA-N 1 2 339.336 3.620 20 0 EHADLO C[N@H+](CCCCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000276702642 1022339876 /nfs/dbraw/zinc/33/98/76/1022339876.db2.gz ULYZDVOUEOSMJJ-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO C[N@@H+](CCCCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000276702642 1022339887 /nfs/dbraw/zinc/33/98/87/1022339887.db2.gz ULYZDVOUEOSMJJ-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO CN(Cc1ccccc1)C(=O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000341571180 1022355278 /nfs/dbraw/zinc/35/52/78/1022355278.db2.gz HOLYOMDVEPMTPP-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO O=C(/C=C/SCc1ccco1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000084922608 1022383549 /nfs/dbraw/zinc/38/35/49/1022383549.db2.gz OLGYQXZURFLNAH-WEVVVXLNSA-N 1 2 343.383 3.990 20 0 EHADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000438104542 1022390253 /nfs/dbraw/zinc/39/02/53/1022390253.db2.gz LZEUIWDWQOPPLJ-CYBMUJFWSA-N 1 2 339.810 3.659 20 0 EHADLO OCC[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000438104542 1022390268 /nfs/dbraw/zinc/39/02/68/1022390268.db2.gz LZEUIWDWQOPPLJ-CYBMUJFWSA-N 1 2 339.810 3.659 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000895017741 1022390246 /nfs/dbraw/zinc/39/02/46/1022390246.db2.gz XQPATOGZHCPRMD-IBGZPJMESA-N 1 2 348.491 3.509 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000895017741 1022390260 /nfs/dbraw/zinc/39/02/60/1022390260.db2.gz XQPATOGZHCPRMD-IBGZPJMESA-N 1 2 348.491 3.509 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000341582845 1022391905 /nfs/dbraw/zinc/39/19/05/1022391905.db2.gz IYAJJVUUWLIZTK-CQSZACIVSA-N 1 2 348.468 3.510 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000341582845 1022391922 /nfs/dbraw/zinc/39/19/22/1022391922.db2.gz IYAJJVUUWLIZTK-CQSZACIVSA-N 1 2 348.468 3.510 20 0 EHADLO COc1ccc([C@@H]2COCCN2c2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC000895039240 1022413529 /nfs/dbraw/zinc/41/35/29/1022413529.db2.gz VSJUNTQWHGWCLO-SFHVURJKSA-N 1 2 339.439 3.639 20 0 EHADLO C[C@@]1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC=CCC1 ZINC000458889547 1022438664 /nfs/dbraw/zinc/43/86/64/1022438664.db2.gz SNISGCMFVMLQHG-GOSISDBHSA-N 1 2 344.846 3.824 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c(Cl)c1Cl ZINC000517567216 1022462066 /nfs/dbraw/zinc/46/20/66/1022462066.db2.gz CTDPZKGJYITTNN-NSHDSACASA-N 1 2 341.217 3.609 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c(Cl)c1Cl ZINC000517567216 1022462072 /nfs/dbraw/zinc/46/20/72/1022462072.db2.gz CTDPZKGJYITTNN-NSHDSACASA-N 1 2 341.217 3.609 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H](C(F)(F)F)O1 ZINC001167491071 1022479357 /nfs/dbraw/zinc/47/93/57/1022479357.db2.gz KQZMHSHCMIWFEQ-IWCQGFGOSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H](C(F)(F)F)O1 ZINC001167491071 1022479363 /nfs/dbraw/zinc/47/93/63/1022479363.db2.gz KQZMHSHCMIWFEQ-IWCQGFGOSA-N 1 2 343.389 3.948 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000303634587 1022502867 /nfs/dbraw/zinc/50/28/67/1022502867.db2.gz GKSQBIJMJIEYRA-QRQLOZEOSA-N 1 2 346.540 3.780 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000303634587 1022502872 /nfs/dbraw/zinc/50/28/72/1022502872.db2.gz GKSQBIJMJIEYRA-QRQLOZEOSA-N 1 2 346.540 3.780 20 0 EHADLO COC(=O)c1cc(NCc2c[nH+]cn2Cc2ccccc2)cc(C)c1C ZINC000438316409 1022538765 /nfs/dbraw/zinc/53/87/65/1022538765.db2.gz PLWFPJNJAXWTGH-UHFFFAOYSA-N 1 2 349.434 3.947 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000438298645 1022540970 /nfs/dbraw/zinc/54/09/70/1022540970.db2.gz FMHXCHWJWNPVFG-INIZCTEOSA-N 1 2 331.481 3.790 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528914930 1033063495 /nfs/dbraw/zinc/06/34/95/1033063495.db2.gz BSQTWHQLULKCJZ-DOTOQJQBSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528914930 1033063510 /nfs/dbraw/zinc/06/35/10/1033063510.db2.gz BSQTWHQLULKCJZ-DOTOQJQBSA-N 1 2 347.846 3.627 20 0 EHADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000343248191 1022551452 /nfs/dbraw/zinc/55/14/52/1022551452.db2.gz IQCGTTXNVBQDOQ-HNNXBMFYSA-N 1 2 327.428 3.665 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1C ZINC000051334748 1022551624 /nfs/dbraw/zinc/55/16/24/1022551624.db2.gz VFLNLZMSNHFVBL-INIZCTEOSA-N 1 2 341.455 3.918 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cncc(Br)c1 ZINC000188471410 1022566476 /nfs/dbraw/zinc/56/64/76/1022566476.db2.gz IEZZALCFQVSJBM-UHFFFAOYSA-N 1 2 349.207 3.965 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000330423708 1022585059 /nfs/dbraw/zinc/58/50/59/1022585059.db2.gz GWSRQXZDKHWNIZ-VXNVDRBHSA-N 1 2 347.410 3.634 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000430707636 1022612162 /nfs/dbraw/zinc/61/21/62/1022612162.db2.gz YHVQTGSKFDNINQ-BEVDRBHNSA-N 1 2 331.419 3.538 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751646 1022621654 /nfs/dbraw/zinc/62/16/54/1022621654.db2.gz ZINIEMGJMRKXSA-QZTJIDSGSA-N 1 2 338.455 3.519 20 0 EHADLO COc1ccccc1/C=C\C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000506852425 1022633986 /nfs/dbraw/zinc/63/39/86/1022633986.db2.gz WRWBOEADGBDQJS-VURMDHGXSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccccc1/C=C\C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000506852425 1022633991 /nfs/dbraw/zinc/63/39/91/1022633991.db2.gz WRWBOEADGBDQJS-VURMDHGXSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000430740717 1022641481 /nfs/dbraw/zinc/64/14/81/1022641481.db2.gz KQKLGUDGXRXCJP-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000430740717 1022641484 /nfs/dbraw/zinc/64/14/84/1022641484.db2.gz KQKLGUDGXRXCJP-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC000894650814 1022666024 /nfs/dbraw/zinc/66/60/24/1022666024.db2.gz NAPXFUYZQANERB-VIFPVBQESA-N 1 2 336.632 3.588 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC000894650814 1022666029 /nfs/dbraw/zinc/66/60/29/1022666029.db2.gz NAPXFUYZQANERB-VIFPVBQESA-N 1 2 336.632 3.588 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C=C3CCCC3)n2)O1 ZINC000665007256 1022668536 /nfs/dbraw/zinc/66/85/36/1022668536.db2.gz ITIQPVWYMKCMKR-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C=C3CCCC3)n2)O1 ZINC000665007256 1022668544 /nfs/dbraw/zinc/66/85/44/1022668544.db2.gz ITIQPVWYMKCMKR-QAPCUYQASA-N 1 2 339.439 3.989 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000684507690 1022673817 /nfs/dbraw/zinc/67/38/17/1022673817.db2.gz VQWAOZGWMSKANH-UHFFFAOYSA-N 1 2 329.444 3.751 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837532 1022681663 /nfs/dbraw/zinc/68/16/63/1022681663.db2.gz OQMSYBGPRDXKPD-HXUWFJFHSA-N 1 2 337.467 3.513 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664837532 1022681673 /nfs/dbraw/zinc/68/16/73/1022681673.db2.gz OQMSYBGPRDXKPD-HXUWFJFHSA-N 1 2 337.467 3.513 20 0 EHADLO CC(C)C(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009590 1022686427 /nfs/dbraw/zinc/68/64/27/1022686427.db2.gz LMFBXHPKDXYVGO-WBVHZDCISA-N 1 2 343.471 3.965 20 0 EHADLO CC(C)C(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009590 1022686439 /nfs/dbraw/zinc/68/64/39/1022686439.db2.gz LMFBXHPKDXYVGO-WBVHZDCISA-N 1 2 343.471 3.965 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)O1 ZINC000665013781 1022727868 /nfs/dbraw/zinc/72/78/68/1022727868.db2.gz YFPGZYJHDHFWCH-MWIANEHASA-N 1 2 339.439 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)O1 ZINC000665013781 1022727882 /nfs/dbraw/zinc/72/78/82/1022727882.db2.gz YFPGZYJHDHFWCH-MWIANEHASA-N 1 2 339.439 3.545 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000894713219 1022769301 /nfs/dbraw/zinc/76/93/01/1022769301.db2.gz YAQIAWJYFRWUIW-UHFFFAOYSA-N 1 2 344.377 3.705 20 0 EHADLO Cc1cc(N2CCc3nc(C(C)(C)C)ncc3C2)nc(C2CCC2)[nH+]1 ZINC000894715161 1022771251 /nfs/dbraw/zinc/77/12/51/1022771251.db2.gz QJMWAQBKOHMNQA-UHFFFAOYSA-N 1 2 337.471 3.703 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@@H](C(C)(C)C)C3)o2)cc1 ZINC000331311485 1022785274 /nfs/dbraw/zinc/78/52/74/1022785274.db2.gz GYVWLBDKLPNGLM-GOEBONIOSA-N 1 2 329.444 3.853 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@@H](C(C)(C)C)C3)o2)cc1 ZINC000331311485 1022785290 /nfs/dbraw/zinc/78/52/90/1022785290.db2.gz GYVWLBDKLPNGLM-GOEBONIOSA-N 1 2 329.444 3.853 20 0 EHADLO COc1cc(Br)ccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449709014 1033082213 /nfs/dbraw/zinc/08/22/13/1033082213.db2.gz XLGZJBQDJWUPRI-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000341651970 1022816590 /nfs/dbraw/zinc/81/65/90/1022816590.db2.gz BGFARJYNBODRGT-QWHCGFSZSA-N 1 2 333.432 3.840 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000438568799 1022818857 /nfs/dbraw/zinc/81/88/57/1022818857.db2.gz BQVQSDVLANGWAH-DLBZAZTESA-N 1 2 325.456 3.739 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000438568802 1022819016 /nfs/dbraw/zinc/81/90/16/1022819016.db2.gz BQVQSDVLANGWAH-IAGOWNOFSA-N 1 2 325.456 3.739 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c(C)c[nH+]1 ZINC000517896990 1022823077 /nfs/dbraw/zinc/82/30/77/1022823077.db2.gz DXPPTDZMXYOSAI-INIZCTEOSA-N 1 2 345.393 3.638 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)n1cc[nH+]c1 ZINC000517944932 1022873130 /nfs/dbraw/zinc/87/31/30/1022873130.db2.gz QOOGZCYMEDCICQ-LRDDRELGSA-N 1 2 349.381 3.629 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000476260764 1033096270 /nfs/dbraw/zinc/09/62/70/1033096270.db2.gz VCPNQTHPEDLJNK-XOKHGSTOSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000476260764 1033096277 /nfs/dbraw/zinc/09/62/77/1033096277.db2.gz VCPNQTHPEDLJNK-XOKHGSTOSA-N 1 2 336.426 3.653 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000506371244 1023015092 /nfs/dbraw/zinc/01/50/92/1023015092.db2.gz URSVJBQMSWPYNJ-QRWLVFNGSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000506371244 1023015109 /nfs/dbraw/zinc/01/51/09/1023015109.db2.gz URSVJBQMSWPYNJ-QRWLVFNGSA-N 1 2 339.435 3.592 20 0 EHADLO OCc1ccc(Oc2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2)cc1 ZINC000518140072 1023018637 /nfs/dbraw/zinc/01/86/37/1023018637.db2.gz BWSNEPLQGVXEFQ-UHFFFAOYSA-N 1 2 332.363 3.986 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438831356 1023049226 /nfs/dbraw/zinc/04/92/26/1023049226.db2.gz BQSSZHATDQNPFL-IAGOWNOFSA-N 1 2 337.448 3.662 20 0 EHADLO O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065073688 1023127407 /nfs/dbraw/zinc/12/74/07/1023127407.db2.gz ZYDJAJOXRNKNIA-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@@]3(C)CCCc4ccccc43)ccn12 ZINC001266919977 1023136045 /nfs/dbraw/zinc/13/60/45/1023136045.db2.gz GPYPYWDYEIUNFS-OAQYLSRUSA-N 1 2 333.435 3.667 20 0 EHADLO C[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470941 1023139976 /nfs/dbraw/zinc/13/99/76/1023139976.db2.gz WJZIUGAAEZRICQ-PMPSAXMXSA-N 1 2 326.444 3.763 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000440489194 1023183086 /nfs/dbraw/zinc/18/30/86/1023183086.db2.gz SKDCHRCTSZNDBB-UHFFFAOYSA-N 1 2 331.485 3.904 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC23CCCC3)c(C)c1 ZINC000441486278 1023194052 /nfs/dbraw/zinc/19/40/52/1023194052.db2.gz DYFFGLAZUAKDQL-OALUTQOASA-N 1 2 337.467 3.938 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)s1 ZINC000439000881 1023199741 /nfs/dbraw/zinc/19/97/41/1023199741.db2.gz XOEKAGGBGKGGQF-LLVKDONJSA-N 1 2 333.457 3.523 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(F)c1 ZINC001143578806 1023205441 /nfs/dbraw/zinc/20/54/41/1023205441.db2.gz AIVPBGOMWGURDA-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(F)c1 ZINC001143578806 1023205445 /nfs/dbraw/zinc/20/54/45/1023205445.db2.gz AIVPBGOMWGURDA-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCCC[C@@H](CC)COCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001168112515 1033117024 /nfs/dbraw/zinc/11/70/24/1033117024.db2.gz KFHOYLTZSTZDNK-QGZVFWFLSA-N 1 2 335.492 3.753 20 0 EHADLO c1ccc2[nH]c(C3CC[NH+](Cc4nnc(C5CC5)s4)CC3)nc2c1 ZINC000518310538 1023223199 /nfs/dbraw/zinc/22/31/99/1023223199.db2.gz SHSTZZLOGTVFDR-UHFFFAOYSA-N 1 2 339.468 3.671 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000510824119 1023231117 /nfs/dbraw/zinc/23/11/17/1023231117.db2.gz BFKICXQBQKDMCT-XMTFNYHQSA-N 1 2 329.488 3.629 20 0 EHADLO Cc1cccn2cc(Cc3nc(Cc4ccc(Cl)cc4)no3)[nH+]c12 ZINC000518335405 1023231752 /nfs/dbraw/zinc/23/17/52/1023231752.db2.gz GJLLCRPVZDCTSM-UHFFFAOYSA-N 1 2 338.798 3.861 20 0 EHADLO Cc1sc2nc([C@@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)nc(N)c2c1C ZINC000190554108 1023267217 /nfs/dbraw/zinc/26/72/17/1023267217.db2.gz WTHXNNLIFWMGPL-LLVKDONJSA-N 1 2 348.516 3.841 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccco1 ZINC000276870998 1023267895 /nfs/dbraw/zinc/26/78/95/1023267895.db2.gz LLGPYNOTRYAINW-MRXNPFEDSA-N 1 2 347.365 3.611 20 0 EHADLO CCc1cc(N2CCCC[C@@H]2c2noc(C3CC3)n2)nc(CC)[nH+]1 ZINC000891923593 1023413771 /nfs/dbraw/zinc/41/37/71/1023413771.db2.gz HEKKLYQCJFBBBC-CQSZACIVSA-N 1 2 327.432 3.593 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093235076 1023465149 /nfs/dbraw/zinc/46/51/49/1023465149.db2.gz FBAGLLPJRYHIQF-FXAWDEMLSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093235076 1023465156 /nfs/dbraw/zinc/46/51/56/1023465156.db2.gz FBAGLLPJRYHIQF-FXAWDEMLSA-N 1 2 339.483 3.630 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458123295 1023592159 /nfs/dbraw/zinc/59/21/59/1023592159.db2.gz JPAXZYFSCHWFSV-QUCCMNQESA-N 1 2 349.478 3.980 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000535748444 1023604949 /nfs/dbraw/zinc/60/49/49/1023604949.db2.gz LSJGVVOKNBDVIE-NSHDSACASA-N 1 2 336.357 3.956 20 0 EHADLO Cc1cc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)c(C)c[nH+]1 ZINC000535772745 1023623086 /nfs/dbraw/zinc/62/30/86/1023623086.db2.gz QPKYUVHSJISEHN-UHFFFAOYSA-N 1 2 329.831 3.627 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535772490 1023623152 /nfs/dbraw/zinc/62/31/52/1023623152.db2.gz FDEYJIAQXSVOSL-INIZCTEOSA-N 1 2 327.428 3.792 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000607471516 1033151387 /nfs/dbraw/zinc/15/13/87/1033151387.db2.gz QAFGUUYIFQUZCI-OAGGEKHMSA-N 1 2 342.439 3.631 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000247572610 1023664489 /nfs/dbraw/zinc/66/44/89/1023664489.db2.gz RXYWPRMXJHEBKH-PBHICJAKSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H]3c3cnn(C)c3)o2)cc1 ZINC000247572610 1023664494 /nfs/dbraw/zinc/66/44/94/1023664494.db2.gz RXYWPRMXJHEBKH-PBHICJAKSA-N 1 2 337.427 3.677 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548493030 1023666543 /nfs/dbraw/zinc/66/65/43/1023666543.db2.gz MSPNMFOATNWCMV-VLIAUNLRSA-N 1 2 341.455 3.950 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548493030 1023666547 /nfs/dbraw/zinc/66/65/47/1023666547.db2.gz MSPNMFOATNWCMV-VLIAUNLRSA-N 1 2 341.455 3.950 20 0 EHADLO CC(C)[C@@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CS1 ZINC000277058620 1023726927 /nfs/dbraw/zinc/72/69/27/1023726927.db2.gz DCAMWYBNSACROM-QAPCUYQASA-N 1 2 331.485 3.904 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000761044840 1033157307 /nfs/dbraw/zinc/15/73/07/1033157307.db2.gz MVMATCYYXDDAHQ-BXUZGUMPSA-N 1 2 348.434 3.836 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000761044840 1033157321 /nfs/dbraw/zinc/15/73/21/1033157321.db2.gz MVMATCYYXDDAHQ-BXUZGUMPSA-N 1 2 348.434 3.836 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000684618413 1023853408 /nfs/dbraw/zinc/85/34/08/1023853408.db2.gz OLLPFOFPZKHGBC-OAHLLOKOSA-N 1 2 334.423 3.855 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000684618413 1023853412 /nfs/dbraw/zinc/85/34/12/1023853412.db2.gz OLLPFOFPZKHGBC-OAHLLOKOSA-N 1 2 334.423 3.855 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)c1C ZINC000181151973 1023861619 /nfs/dbraw/zinc/86/16/19/1023861619.db2.gz DFQDKXMQHFVRPZ-HNNXBMFYSA-N 1 2 340.467 3.853 20 0 EHADLO COc1ccccc1C[N@H+](Cn1c2cc(C)ccc2oc1=O)C1CC1 ZINC000065187292 1023872632 /nfs/dbraw/zinc/87/26/32/1023872632.db2.gz PRICATAFNBTGBH-UHFFFAOYSA-N 1 2 338.407 3.534 20 0 EHADLO COc1ccccc1C[N@@H+](Cn1c2cc(C)ccc2oc1=O)C1CC1 ZINC000065187292 1023872636 /nfs/dbraw/zinc/87/26/36/1023872636.db2.gz PRICATAFNBTGBH-UHFFFAOYSA-N 1 2 338.407 3.534 20 0 EHADLO COC1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413421841 1023882755 /nfs/dbraw/zinc/88/27/55/1023882755.db2.gz RNTGHGVNCQLCSC-UHFFFAOYSA-N 1 2 335.245 3.789 20 0 EHADLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000342095592 1023923652 /nfs/dbraw/zinc/92/36/52/1023923652.db2.gz CVZJCCJQZIYKIX-INIZCTEOSA-N 1 2 325.437 3.874 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441501383 1023955825 /nfs/dbraw/zinc/95/58/25/1023955825.db2.gz QAIRLGUAAZIINI-FQEVSTJZSA-N 1 2 333.435 3.980 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1Br ZINC000398468204 1023960865 /nfs/dbraw/zinc/96/08/65/1023960865.db2.gz MCUHWLFGVDBGFS-IUCAKERBSA-N 1 2 342.262 3.721 20 0 EHADLO Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)nc(-c2cccnc2)n1 ZINC000150847573 1023962356 /nfs/dbraw/zinc/96/23/56/1023962356.db2.gz JFVOPDSVLZSPHY-UHFFFAOYSA-N 1 2 329.363 3.825 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000459108440 1023997759 /nfs/dbraw/zinc/99/77/59/1023997759.db2.gz IBBPZDXWPGFGHI-OAHLLOKOSA-N 1 2 332.492 3.577 20 0 EHADLO Cc1ccc(C)n1-c1sccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000522189440 1024004892 /nfs/dbraw/zinc/00/48/92/1024004892.db2.gz KNLVYEMCSXVJLV-UHFFFAOYSA-N 1 2 342.468 3.562 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)sc1C ZINC000513992279 1024018579 /nfs/dbraw/zinc/01/85/79/1024018579.db2.gz PBKCMSSNIRKRPT-OAHLLOKOSA-N 1 2 334.872 3.805 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1F ZINC000046469594 1033175255 /nfs/dbraw/zinc/17/52/55/1033175255.db2.gz SEFHKFWPTUTQRM-AWEZNQCLSA-N 1 2 338.814 3.912 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c(C)c1 ZINC000513999348 1024040676 /nfs/dbraw/zinc/04/06/76/1024040676.db2.gz LUNLXBYTXGJRKA-SFHVURJKSA-N 1 2 328.843 3.744 20 0 EHADLO CCc1ccccc1CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999878 1024040937 /nfs/dbraw/zinc/04/09/37/1024040937.db2.gz RACDPFYZPJZYTK-LJQANCHMSA-N 1 2 342.870 3.618 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1C ZINC000514001036 1024042831 /nfs/dbraw/zinc/04/28/31/1024042831.db2.gz FGZIFWNULYXCJC-SFHVURJKSA-N 1 2 328.843 3.744 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccncc3)n2)cc1F ZINC000151105676 1024049749 /nfs/dbraw/zinc/04/97/49/1024049749.db2.gz PHRYCPVHVKRDTK-QWHCGFSZSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccncc3)n2)ccc1F ZINC000151113523 1024052413 /nfs/dbraw/zinc/05/24/13/1024052413.db2.gz NJIUFZPJBAYYDS-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001143592831 1024080343 /nfs/dbraw/zinc/08/03/43/1024080343.db2.gz VVOOOSKZLNDBQT-QGZVFWFLSA-N 1 2 326.406 3.830 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(N3CCSCC3)c12 ZINC000443524363 1024102572 /nfs/dbraw/zinc/10/25/72/1024102572.db2.gz SVDXULOHISQWFD-UHFFFAOYSA-N 1 2 327.222 3.690 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614700130 1024118612 /nfs/dbraw/zinc/11/86/12/1024118612.db2.gz DHONXAFIXUTLBZ-NVXWUHKLSA-N 1 2 331.847 3.551 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514091843 1024126328 /nfs/dbraw/zinc/12/63/28/1024126328.db2.gz YRMSYFHCDLORBH-QZTJIDSGSA-N 1 2 347.842 3.874 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514091843 1024126334 /nfs/dbraw/zinc/12/63/34/1024126334.db2.gz YRMSYFHCDLORBH-QZTJIDSGSA-N 1 2 347.842 3.874 20 0 EHADLO CCCCn1c(SCc2cncs2)nnc1[C@H](CC)[NH+](C)C ZINC000657226307 1024155208 /nfs/dbraw/zinc/15/52/08/1024155208.db2.gz WUXICXMTLVEUAI-ZDUSSCGKSA-N 1 2 339.534 3.840 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000134829585 1024185257 /nfs/dbraw/zinc/18/52/57/1024185257.db2.gz QRZBVUFXRFZSJB-SFHVURJKSA-N 1 2 346.519 3.762 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2OC)[nH]1 ZINC000277206189 1024205792 /nfs/dbraw/zinc/20/57/92/1024205792.db2.gz JVWNPAZHHGKFPC-AVGNSLFASA-N 1 2 332.448 3.747 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cs1 ZINC000053076533 1024238401 /nfs/dbraw/zinc/23/84/01/1024238401.db2.gz SDNHXUHVRCVYQO-INIZCTEOSA-N 1 2 348.443 3.666 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cs1 ZINC000053076533 1024238409 /nfs/dbraw/zinc/23/84/09/1024238409.db2.gz SDNHXUHVRCVYQO-INIZCTEOSA-N 1 2 348.443 3.666 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985341 1024277257 /nfs/dbraw/zinc/27/72/57/1024277257.db2.gz DDPOHENTMRAZCW-ROUUACIJSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985341 1024277271 /nfs/dbraw/zinc/27/72/71/1024277271.db2.gz DDPOHENTMRAZCW-ROUUACIJSA-N 1 2 340.471 3.550 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cc(Cl)cs2)C2CC2)c(F)c1 ZINC000430106961 1024373535 /nfs/dbraw/zinc/37/35/35/1024373535.db2.gz WFPZJMLEQLDMTJ-UHFFFAOYSA-N 1 2 338.835 3.804 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)cs2)C2CC2)c(F)c1 ZINC000430106961 1024373554 /nfs/dbraw/zinc/37/35/54/1024373554.db2.gz WFPZJMLEQLDMTJ-UHFFFAOYSA-N 1 2 338.835 3.804 20 0 EHADLO CCOC[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000281435551 1024379810 /nfs/dbraw/zinc/37/98/10/1024379810.db2.gz ZBJPIWSIJXZYMF-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO CCOC[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000281435551 1024379825 /nfs/dbraw/zinc/37/98/25/1024379825.db2.gz ZBJPIWSIJXZYMF-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO CC(C)c1cnc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000346117190 1024415465 /nfs/dbraw/zinc/41/54/65/1024415465.db2.gz BHDBGEKDZJPPLT-UHFFFAOYSA-N 1 2 329.469 3.530 20 0 EHADLO CC(C)c1cnc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000346117190 1024415474 /nfs/dbraw/zinc/41/54/74/1024415474.db2.gz BHDBGEKDZJPPLT-UHFFFAOYSA-N 1 2 329.469 3.530 20 0 EHADLO CCc1cc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)nc(CC)[nH+]1 ZINC000892033449 1024418559 /nfs/dbraw/zinc/41/85/59/1024418559.db2.gz RXIRANWTGPPBOM-ZDUSSCGKSA-N 1 2 340.427 3.731 20 0 EHADLO C[C@@H]1C[C@H](C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC(C)(C)C1 ZINC000505530025 1024444313 /nfs/dbraw/zinc/44/43/13/1024444313.db2.gz MBLFILIIBSVVMC-UWWQBHOKSA-N 1 2 332.463 3.761 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000505541967 1024446867 /nfs/dbraw/zinc/44/68/67/1024446867.db2.gz DKHHCSPVDWUAEB-FQEVSTJZSA-N 1 2 340.442 3.548 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434834841 1024449410 /nfs/dbraw/zinc/44/94/10/1024449410.db2.gz VRPNYIIDVVTMJP-DAXSKMNVSA-N 1 2 348.450 3.501 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)C1 ZINC000425212539 1024451422 /nfs/dbraw/zinc/45/14/22/1024451422.db2.gz FBYUORUPKUAYQE-SOLBZPMBSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@H]1C[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)CC[C@H]2O1 ZINC001141796959 1024453757 /nfs/dbraw/zinc/45/37/57/1024453757.db2.gz HJUJRINPOLRXIG-PKFCDNJMSA-N 1 2 346.215 3.727 20 0 EHADLO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)CC[C@H]2O1 ZINC001141796959 1024453767 /nfs/dbraw/zinc/45/37/67/1024453767.db2.gz HJUJRINPOLRXIG-PKFCDNJMSA-N 1 2 346.215 3.727 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000346158249 1024459998 /nfs/dbraw/zinc/45/99/98/1024459998.db2.gz WLNFEAUBXVLADZ-UHFFFAOYSA-N 1 2 339.370 3.617 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CCO[C@H](C(C)C)C4)n3)[nH+]c12 ZINC000923878011 1024467013 /nfs/dbraw/zinc/46/70/13/1024467013.db2.gz UAMLCKLZCPYHGN-ZBFHGGJFSA-N 1 2 340.427 3.535 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425236620 1024486261 /nfs/dbraw/zinc/48/62/61/1024486261.db2.gz ONZSUHVKJNLXNR-NUJGCVRESA-N 1 2 325.456 3.969 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(COc2ccccc2)cc1 ZINC000052106046 1024493652 /nfs/dbraw/zinc/49/36/52/1024493652.db2.gz PMRBWHZRFHAEHU-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000434980694 1024528299 /nfs/dbraw/zinc/52/82/99/1024528299.db2.gz GREKJLURVILFEC-UHFFFAOYSA-N 1 2 336.382 3.525 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000434980694 1024528309 /nfs/dbraw/zinc/52/83/09/1024528309.db2.gz GREKJLURVILFEC-UHFFFAOYSA-N 1 2 336.382 3.525 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000346225050 1024538823 /nfs/dbraw/zinc/53/88/23/1024538823.db2.gz NJJSQTDEAHXMNJ-UHFFFAOYSA-N 1 2 336.395 3.703 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3OC)no2)o1 ZINC000895474884 1024545059 /nfs/dbraw/zinc/54/50/59/1024545059.db2.gz WKIZQXIHVQIIPG-UHFFFAOYSA-N 1 2 328.368 3.632 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)NCCCn2cc[nH+]c2)c1Cl ZINC000728443382 1024550935 /nfs/dbraw/zinc/55/09/35/1024550935.db2.gz TYJRTXGFHROQAH-UHFFFAOYSA-N 1 2 343.283 3.875 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000435048003 1024578031 /nfs/dbraw/zinc/57/80/31/1024578031.db2.gz KJPNCYFTWKCFHQ-RMKNXTFCSA-N 1 2 349.478 3.676 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1Br ZINC000342254324 1024578202 /nfs/dbraw/zinc/57/82/02/1024578202.db2.gz BQMZRFRUKJNGEO-CQSZACIVSA-N 1 2 349.276 3.618 20 0 EHADLO COc1cc(C)nc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1 ZINC000342254728 1024579491 /nfs/dbraw/zinc/57/94/91/1024579491.db2.gz AOAFVEJPLYSGKE-UHFFFAOYSA-N 1 2 343.471 3.898 20 0 EHADLO CCc1ccc(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474218300 1024585524 /nfs/dbraw/zinc/58/55/24/1024585524.db2.gz NVOHVPKYMBZDJO-KRWDZBQOSA-N 1 2 339.483 3.859 20 0 EHADLO CCc1ccc(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474218300 1024585529 /nfs/dbraw/zinc/58/55/29/1024585529.db2.gz NVOHVPKYMBZDJO-KRWDZBQOSA-N 1 2 339.483 3.859 20 0 EHADLO C[C@@]1([C@@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)COC(=O)N1 ZINC000895532647 1024589101 /nfs/dbraw/zinc/58/91/01/1024589101.db2.gz PCPNZARGCIGAMV-XIKOKIGWSA-N 1 2 345.830 3.603 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1c[nH]c2ccccc21 ZINC000346280924 1024599804 /nfs/dbraw/zinc/59/98/04/1024599804.db2.gz PABHBFHGIHUXQJ-NVXWUHKLSA-N 1 2 349.434 3.736 20 0 EHADLO C[N@H+](Cc1cnc2ccc(Br)cn12)Cc1ccccc1F ZINC000505598653 1024600964 /nfs/dbraw/zinc/60/09/64/1024600964.db2.gz XUMISLYLBOEJRS-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cnc2ccc(Br)cn12)Cc1ccccc1F ZINC000505598653 1024600971 /nfs/dbraw/zinc/60/09/71/1024600971.db2.gz XUMISLYLBOEJRS-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ncc(Cc3ccccc3)s2)c[nH+]1 ZINC000895543701 1024602884 /nfs/dbraw/zinc/60/28/84/1024602884.db2.gz BDNGWCWCZMVQMD-UHFFFAOYSA-N 1 2 340.452 3.613 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)c[nH+]1 ZINC000895593162 1024650420 /nfs/dbraw/zinc/65/04/20/1024650420.db2.gz ZOKCROSUCRFFCP-UHFFFAOYSA-N 1 2 340.452 3.997 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1OCC ZINC000514682566 1024654031 /nfs/dbraw/zinc/65/40/31/1024654031.db2.gz PMBBSAPAVQWKER-GJZGRUSLSA-N 1 2 345.443 3.509 20 0 EHADLO CC(C)c1occc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281103407 1024656881 /nfs/dbraw/zinc/65/68/81/1024656881.db2.gz XAFPOZTYWXFYTE-UHFFFAOYSA-N 1 2 341.455 3.956 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cn(C4CCC4)nn3)oc21 ZINC000657296475 1024703050 /nfs/dbraw/zinc/70/30/50/1024703050.db2.gz VKSOHJCXZWIFCK-CYBMUJFWSA-N 1 2 340.427 3.999 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2csc(C(F)(F)F)n2)C2CC2)cn1 ZINC000895675330 1024707709 /nfs/dbraw/zinc/70/77/09/1024707709.db2.gz WUONOKTVJBOVML-CYBMUJFWSA-N 1 2 343.374 3.806 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)cs1 ZINC000449790207 1033232433 /nfs/dbraw/zinc/23/24/33/1033232433.db2.gz KCGIZICMOJGUTB-MRXNPFEDSA-N 1 2 335.517 3.917 20 0 EHADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(F)c(C)c3)nc(N)c2c1C ZINC000342294052 1024742110 /nfs/dbraw/zinc/74/21/10/1024742110.db2.gz HKMDNEQQXSWOGC-NSHDSACASA-N 1 2 328.391 3.720 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+]2CC3(CCCC3)[C@H]2C(C)C)cs1 ZINC000449790207 1033232446 /nfs/dbraw/zinc/23/24/46/1033232446.db2.gz KCGIZICMOJGUTB-MRXNPFEDSA-N 1 2 335.517 3.917 20 0 EHADLO Cc1nc(N2CCC[C@@H]2c2cncc(Br)c2)c(C)c(C)[nH+]1 ZINC000895707476 1024744115 /nfs/dbraw/zinc/74/41/15/1024744115.db2.gz DDKCFUCWRBFCEC-OAHLLOKOSA-N 1 2 347.260 3.901 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000427745702 1024763080 /nfs/dbraw/zinc/76/30/80/1024763080.db2.gz XVINBUOEOXLNAV-CYBMUJFWSA-N 1 2 339.361 3.782 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509268 1024768176 /nfs/dbraw/zinc/76/81/76/1024768176.db2.gz MALZXVJNNPCKLE-QUCCMNQESA-N 1 2 349.471 3.820 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)C1 ZINC001167509268 1024768187 /nfs/dbraw/zinc/76/81/87/1024768187.db2.gz MALZXVJNNPCKLE-QUCCMNQESA-N 1 2 349.471 3.820 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000427762790 1024780166 /nfs/dbraw/zinc/78/01/66/1024780166.db2.gz QHDUFUMCSFQAEG-GFCCVEGCSA-N 1 2 325.334 3.723 20 0 EHADLO COC[C@H]1CCC[N@@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837688 1024782887 /nfs/dbraw/zinc/78/28/87/1024782887.db2.gz MKHPOJTVRPZFAH-SNVBAGLBSA-N 1 2 336.632 3.852 20 0 EHADLO COC[C@H]1CCC[N@H+]1Cc1c(F)cc(Cl)cc1Br ZINC001141837688 1024782901 /nfs/dbraw/zinc/78/29/01/1024782901.db2.gz MKHPOJTVRPZFAH-SNVBAGLBSA-N 1 2 336.632 3.852 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cncn2C(C)C)c(SC)cc1OC ZINC000425338212 1024786738 /nfs/dbraw/zinc/78/67/38/1024786738.db2.gz PKLUNKOKBSGTRU-UHFFFAOYSA-N 1 2 349.500 3.835 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cncn2C(C)C)c(SC)cc1OC ZINC000425338212 1024786753 /nfs/dbraw/zinc/78/67/53/1024786753.db2.gz PKLUNKOKBSGTRU-UHFFFAOYSA-N 1 2 349.500 3.835 20 0 EHADLO Clc1ccc(-c2ccc(C[N@@H+]3CCCn4nncc4C3)o2)cc1 ZINC000895756164 1024800397 /nfs/dbraw/zinc/80/03/97/1024800397.db2.gz FHKRWAWQYPPYLK-UHFFFAOYSA-N 1 2 328.803 3.597 20 0 EHADLO Clc1ccc(-c2ccc(C[N@H+]3CCCn4nncc4C3)o2)cc1 ZINC000895756164 1024800412 /nfs/dbraw/zinc/80/04/12/1024800412.db2.gz FHKRWAWQYPPYLK-UHFFFAOYSA-N 1 2 328.803 3.597 20 0 EHADLO O=C(CC1CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333825 1024802477 /nfs/dbraw/zinc/80/24/77/1024802477.db2.gz UHRMOKRHQUERBQ-UHFFFAOYSA-N 1 2 331.847 3.756 20 0 EHADLO Cc1cc(Cl)cc(C)c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000349676630 1024810684 /nfs/dbraw/zinc/81/06/84/1024810684.db2.gz FIUWHBGFOJFTSR-UHFFFAOYSA-N 1 2 329.875 3.670 20 0 EHADLO Cc1cn2cc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)ccc2[nH+]1 ZINC000343815712 1024810667 /nfs/dbraw/zinc/81/06/67/1024810667.db2.gz FHTQTCNREBNONH-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657304992 1024846404 /nfs/dbraw/zinc/84/64/04/1024846404.db2.gz SMHYHVLBTSXOIK-APWZRJJASA-N 1 2 344.499 3.983 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657304992 1024846420 /nfs/dbraw/zinc/84/64/20/1024846420.db2.gz SMHYHVLBTSXOIK-APWZRJJASA-N 1 2 344.499 3.983 20 0 EHADLO CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000594257414 1033243696 /nfs/dbraw/zinc/24/36/96/1033243696.db2.gz AXQSZLSNNICGIC-UHFFFAOYSA-N 1 2 343.427 3.917 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327648 1024902531 /nfs/dbraw/zinc/90/25/31/1024902531.db2.gz JGYWFMSSOHOEKL-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000281327648 1024902540 /nfs/dbraw/zinc/90/25/40/1024902540.db2.gz JGYWFMSSOHOEKL-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCc2nccs2)c(Cl)c1 ZINC000157426726 1024910053 /nfs/dbraw/zinc/91/00/53/1024910053.db2.gz UTWKGXVEZJNPGF-UHFFFAOYSA-N 1 2 337.876 3.526 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCc2nccs2)c(Cl)c1 ZINC000157426726 1024910057 /nfs/dbraw/zinc/91/00/57/1024910057.db2.gz UTWKGXVEZJNPGF-UHFFFAOYSA-N 1 2 337.876 3.526 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)Cc1cccnc1 ZINC000350387392 1024910427 /nfs/dbraw/zinc/91/04/27/1024910427.db2.gz DEPQNTMKSSGPSH-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)Cc1cccnc1 ZINC000350387392 1024910436 /nfs/dbraw/zinc/91/04/36/1024910436.db2.gz DEPQNTMKSSGPSH-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1cc(C)c2cc(NC3CCN(c4cnccn4)CC3)ccc2[nH+]1 ZINC000895877158 1024922742 /nfs/dbraw/zinc/92/27/42/1024922742.db2.gz OLBIIASCGUQFOU-UHFFFAOYSA-N 1 2 333.439 3.723 20 0 EHADLO Cc1cc(C)c2cc(N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000895875490 1024923280 /nfs/dbraw/zinc/92/32/80/1024923280.db2.gz IHIGKUYVDPEEHC-GOEBONIOSA-N 1 2 332.469 3.619 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427988416 1024924968 /nfs/dbraw/zinc/92/49/68/1024924968.db2.gz DBBZCFFJTXJSFI-QGZVFWFLSA-N 1 2 339.483 3.589 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cc(C)ccc2Br)on1 ZINC000926584700 1033247172 /nfs/dbraw/zinc/24/71/72/1033247172.db2.gz LYQLFKJVSLHQKV-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474431926 1024959107 /nfs/dbraw/zinc/95/91/07/1024959107.db2.gz JSAAHFLLJMUNNI-OAHLLOKOSA-N 1 2 343.446 3.826 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474431926 1024959113 /nfs/dbraw/zinc/95/91/13/1024959113.db2.gz JSAAHFLLJMUNNI-OAHLLOKOSA-N 1 2 343.446 3.826 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602895560 1033249604 /nfs/dbraw/zinc/24/96/04/1033249604.db2.gz AFPWDNZGBOUCMF-KRWDZBQOSA-N 1 2 339.439 3.769 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602895560 1033249614 /nfs/dbraw/zinc/24/96/14/1033249614.db2.gz AFPWDNZGBOUCMF-KRWDZBQOSA-N 1 2 339.439 3.769 20 0 EHADLO C[C@@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000529007374 1033253939 /nfs/dbraw/zinc/25/39/39/1033253939.db2.gz FDOLMZUYZZSVPU-INIZCTEOSA-N 1 2 329.444 3.689 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417415 1025034781 /nfs/dbraw/zinc/03/47/81/1025034781.db2.gz ONZUQXPBBQNHEL-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417415 1025034790 /nfs/dbraw/zinc/03/47/90/1025034790.db2.gz ONZUQXPBBQNHEL-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO CCN(C(=O)CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000346725616 1025039435 /nfs/dbraw/zinc/03/94/35/1025039435.db2.gz OEUKOXHVAAVGMH-UHFFFAOYSA-N 1 2 333.435 3.911 20 0 EHADLO CCc1nc(C)c(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000428218860 1025054162 /nfs/dbraw/zinc/05/41/62/1025054162.db2.gz NJYUFAOWPHVJAQ-SFHVURJKSA-N 1 2 327.472 3.642 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435663936 1025054833 /nfs/dbraw/zinc/05/48/33/1025054833.db2.gz PSQXFUFVOXCVGX-IHPCNDPISA-N 1 2 341.426 3.754 20 0 EHADLO Cc1cnc([C@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000428230861 1025065299 /nfs/dbraw/zinc/06/52/99/1025065299.db2.gz TUKGQKACHBGHSP-HOTGVXAUSA-N 1 2 344.890 3.878 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[C@H]1C(C)(C)C)C2 ZINC000582049109 1025090594 /nfs/dbraw/zinc/09/05/94/1025090594.db2.gz DMVCHWALHOTIMR-KFWWJZLASA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[C@H]1C(C)(C)C)CC2 ZINC000582049109 1025090602 /nfs/dbraw/zinc/09/06/02/1025090602.db2.gz DMVCHWALHOTIMR-KFWWJZLASA-N 1 2 331.504 3.969 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)nc2)nnn1-c1ccc(Cl)cc1 ZINC000346789815 1025101275 /nfs/dbraw/zinc/10/12/75/1025101275.db2.gz CXXXMFKBRSORPS-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO COc1cccc2c(NCc3cc(C(F)(F)F)nn3C)cc[nH+]c12 ZINC000896062613 1025116830 /nfs/dbraw/zinc/11/68/30/1025116830.db2.gz JKHFPHOYEGLUJI-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@@H]4CCOC5(CCC5)C4)n3)c2)c[nH+]1 ZINC000896086421 1025129374 /nfs/dbraw/zinc/12/93/74/1025129374.db2.gz HIUBZLVOQQMKKI-OAHLLOKOSA-N 1 2 336.395 3.739 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]1 ZINC000442010119 1025136774 /nfs/dbraw/zinc/13/67/74/1025136774.db2.gz ZPALRFFXYYAJLB-GOSISDBHSA-N 1 2 336.439 3.616 20 0 EHADLO Cc1cnc(CNc2cc(NCc3ncc(C)cc3C)[nH+]cn2)c(C)c1 ZINC000896099464 1025139680 /nfs/dbraw/zinc/13/96/80/1025139680.db2.gz AKISRERJFOWWBL-UHFFFAOYSA-N 1 2 348.454 3.724 20 0 EHADLO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582066079 1025147875 /nfs/dbraw/zinc/14/78/75/1025147875.db2.gz OLBLWEPLJZUEHI-WBVHZDCISA-N 1 2 341.455 3.704 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccccc2F)no1 ZINC000515306954 1025151649 /nfs/dbraw/zinc/15/16/49/1025151649.db2.gz MGJFAQRTVBPHEZ-UHFFFAOYSA-N 1 2 344.296 3.860 20 0 EHADLO CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000474573462 1025152078 /nfs/dbraw/zinc/15/20/78/1025152078.db2.gz GUBUCSMVPRBTFW-ZDUSSCGKSA-N 1 2 329.419 3.830 20 0 EHADLO CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000474573462 1025152082 /nfs/dbraw/zinc/15/20/82/1025152082.db2.gz GUBUCSMVPRBTFW-ZDUSSCGKSA-N 1 2 329.419 3.830 20 0 EHADLO COc1ncccc1-c1noc([C@H]2CCC[C@H](c3ccccc3)[NH2+]2)n1 ZINC001211886290 1025164724 /nfs/dbraw/zinc/16/47/24/1025164724.db2.gz YUWFDMCZKCSIEW-HZPDHXFCSA-N 1 2 336.395 3.696 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000435916067 1025216714 /nfs/dbraw/zinc/21/67/14/1025216714.db2.gz TUFCYZKNBPOPEV-IBGZPJMESA-N 1 2 340.471 3.509 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3NCC4)CCO2)cc1F ZINC000346840140 1025228328 /nfs/dbraw/zinc/22/83/28/1025228328.db2.gz ZOLMODCHERSBON-SFHVURJKSA-N 1 2 330.378 3.506 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3NCC4)CCO2)cc1F ZINC000346840140 1025228337 /nfs/dbraw/zinc/22/83/37/1025228337.db2.gz ZOLMODCHERSBON-SFHVURJKSA-N 1 2 330.378 3.506 20 0 EHADLO Cc1ccccc1-n1nccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000474618167 1025241450 /nfs/dbraw/zinc/24/14/50/1025241450.db2.gz QRWCEPCWPINWHV-UHFFFAOYSA-N 1 2 333.439 3.788 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccn1 ZINC000375666020 1025253398 /nfs/dbraw/zinc/25/33/98/1025253398.db2.gz SIWKYKZQXKMLBQ-UTKZUKDTSA-N 1 2 348.450 3.580 20 0 EHADLO COc1ccncc1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000346883486 1025253933 /nfs/dbraw/zinc/25/39/33/1025253933.db2.gz LTJPOXUBCGFQEH-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(Cl)n2C)c(OC2CCCC2)c1 ZINC000281596950 1025254349 /nfs/dbraw/zinc/25/43/49/1025254349.db2.gz FMKVLXUUGGFODE-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO C[C@@H](Cc1cccs1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342410456 1025256799 /nfs/dbraw/zinc/25/67/99/1025256799.db2.gz SEGAALNKOBSFNN-YOEHRIQHSA-N 1 2 339.464 3.741 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@@H](C)CC3)cn2c1 ZINC000474649420 1025272457 /nfs/dbraw/zinc/27/24/57/1025272457.db2.gz JIAJTGNLPMOQGM-GDBMZVCRSA-N 1 2 345.512 3.961 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521229649 1025274241 /nfs/dbraw/zinc/27/42/41/1025274241.db2.gz OFUKOCFNKXYAFC-ZIFCJYIRSA-N 1 2 346.540 3.719 20 0 EHADLO Fc1cccc(Cn2cnc(C[NH2+][C@H]3CCCc4ccccc43)n2)c1 ZINC000435989599 1025276921 /nfs/dbraw/zinc/27/69/21/1025276921.db2.gz LPGCWKAYEHWURB-IBGZPJMESA-N 1 2 336.414 3.633 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)[nH]1 ZINC000277478208 1025294333 /nfs/dbraw/zinc/29/43/33/1025294333.db2.gz SIDHUOSOEZTLOT-NXEZZACHSA-N 1 2 342.365 3.910 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000425446808 1025305230 /nfs/dbraw/zinc/30/52/30/1025305230.db2.gz QWVOTEMOXHBKKV-UHFFFAOYSA-N 1 2 325.359 3.821 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CO2 ZINC000342416373 1025305629 /nfs/dbraw/zinc/30/56/29/1025305629.db2.gz LQAXWDOZOBDVPK-GXTWGEPZSA-N 1 2 336.844 3.871 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000442432193 1025312909 /nfs/dbraw/zinc/31/29/09/1025312909.db2.gz BFGJVBPGARXKBA-GOSISDBHSA-N 1 2 340.471 3.676 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311373 1025318867 /nfs/dbraw/zinc/31/88/67/1025318867.db2.gz BZMDAOGZWUTJKC-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311373 1025318880 /nfs/dbraw/zinc/31/88/80/1025318880.db2.gz BZMDAOGZWUTJKC-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000102400312 1025336196 /nfs/dbraw/zinc/33/61/96/1025336196.db2.gz UKFSYSTYIXXOHZ-UKRRQHHQSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000102400312 1025336210 /nfs/dbraw/zinc/33/62/10/1025336210.db2.gz UKFSYSTYIXXOHZ-UKRRQHHQSA-N 1 2 337.464 3.559 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342420717 1025339134 /nfs/dbraw/zinc/33/91/34/1025339134.db2.gz CARGSEOGXXGMRJ-MRXNPFEDSA-N 1 2 331.419 3.518 20 0 EHADLO Cc1ncoc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000896320144 1025351752 /nfs/dbraw/zinc/35/17/52/1025351752.db2.gz CSDHRGFHMWNZBW-AWEZNQCLSA-N 1 2 328.347 3.509 20 0 EHADLO Cc1ncoc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000896320144 1025351763 /nfs/dbraw/zinc/35/17/63/1025351763.db2.gz CSDHRGFHMWNZBW-AWEZNQCLSA-N 1 2 328.347 3.509 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2cccnc2)nc2cc(Cl)ccc21 ZINC000346977700 1025355621 /nfs/dbraw/zinc/35/56/21/1025355621.db2.gz KRTFMNDBBVAWKZ-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2cccnc2)nc2cc(Cl)ccc21 ZINC000346977700 1025355638 /nfs/dbraw/zinc/35/56/38/1025355638.db2.gz KRTFMNDBBVAWKZ-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO c1ccc(C[C@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cc1 ZINC000425459131 1025362532 /nfs/dbraw/zinc/36/25/32/1025362532.db2.gz OHXVPIRTNFHNLE-FQEVSTJZSA-N 1 2 345.446 3.587 20 0 EHADLO c1ccc(C[C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cc1 ZINC000425459131 1025362544 /nfs/dbraw/zinc/36/25/44/1025362544.db2.gz OHXVPIRTNFHNLE-FQEVSTJZSA-N 1 2 345.446 3.587 20 0 EHADLO c1coc([C@@H]([NH2+]Cc2cnc(N3CCCC3)nc2)c2ccccc2)c1 ZINC000048684679 1025368043 /nfs/dbraw/zinc/36/80/43/1025368043.db2.gz ZYOVAMASZPOCGO-IBGZPJMESA-N 1 2 334.423 3.549 20 0 EHADLO COc1cccc2c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)coc21 ZINC001125583941 1025386502 /nfs/dbraw/zinc/38/65/02/1025386502.db2.gz BDDBVZYRMIHYLA-UHFFFAOYSA-N 1 2 347.374 3.557 20 0 EHADLO Cc1ccccc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000191034205 1025396693 /nfs/dbraw/zinc/39/66/93/1025396693.db2.gz VQZXRVDAVAGESB-UHFFFAOYSA-N 1 2 343.858 3.828 20 0 EHADLO Cc1ccccc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000191034205 1025396709 /nfs/dbraw/zinc/39/67/09/1025396709.db2.gz VQZXRVDAVAGESB-UHFFFAOYSA-N 1 2 343.858 3.828 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000347004734 1025400461 /nfs/dbraw/zinc/40/04/61/1025400461.db2.gz KKIIZMITOZYLLT-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000347004734 1025400473 /nfs/dbraw/zinc/40/04/73/1025400473.db2.gz KKIIZMITOZYLLT-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2)cs1 ZINC000442632032 1025401124 /nfs/dbraw/zinc/40/11/24/1025401124.db2.gz YOPKFYZLZVETSO-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO CCCc1nc(C)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000428255959 1025405904 /nfs/dbraw/zinc/40/59/04/1025405904.db2.gz ZVFZTDXVVLWYBG-YRNVUSSQSA-N 1 2 339.483 3.767 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)o1 ZINC000428255959 1025405913 /nfs/dbraw/zinc/40/59/13/1025405913.db2.gz ZVFZTDXVVLWYBG-YRNVUSSQSA-N 1 2 339.483 3.767 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000347027124 1025433806 /nfs/dbraw/zinc/43/38/06/1025433806.db2.gz UOVGDWGIFKNVDX-KGLIPLIRSA-N 1 2 343.393 3.547 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000281762577 1025451378 /nfs/dbraw/zinc/45/13/78/1025451378.db2.gz WLKDTQVNHXZUEV-BMIGLBTASA-N 1 2 336.432 3.775 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cccc(Nc2ccccc2)c1 ZINC000522802386 1025489332 /nfs/dbraw/zinc/48/93/32/1025489332.db2.gz OTTKQHBLYNFGJQ-UHFFFAOYSA-N 1 2 332.407 3.667 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)o1 ZINC000285895677 1025489661 /nfs/dbraw/zinc/48/96/61/1025489661.db2.gz CLRXKWZNBYCFAO-FZMZJTMJSA-N 1 2 337.441 3.728 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(C3CCCCC3)C1)C2 ZINC000515696066 1025501391 /nfs/dbraw/zinc/50/13/91/1025501391.db2.gz AGWPKWAFLLFCME-OAHLLOKOSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(C3CCCCC3)C1)CC2 ZINC000515696066 1025501404 /nfs/dbraw/zinc/50/14/04/1025501404.db2.gz AGWPKWAFLLFCME-OAHLLOKOSA-N 1 2 329.488 3.677 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000451066965 1025509943 /nfs/dbraw/zinc/50/99/43/1025509943.db2.gz NVOFSDUEGSOBBT-QGZVFWFLSA-N 1 2 348.903 3.708 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000451066965 1025509947 /nfs/dbraw/zinc/50/99/47/1025509947.db2.gz NVOFSDUEGSOBBT-QGZVFWFLSA-N 1 2 348.903 3.708 20 0 EHADLO CCc1cc(CCC[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)on1 ZINC000451068400 1025510445 /nfs/dbraw/zinc/51/04/45/1025510445.db2.gz BTXFFBVIIJVNCJ-HNNXBMFYSA-N 1 2 334.382 3.601 20 0 EHADLO CCc1cc(CCC[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)on1 ZINC000451068400 1025510463 /nfs/dbraw/zinc/51/04/63/1025510463.db2.gz BTXFFBVIIJVNCJ-HNNXBMFYSA-N 1 2 334.382 3.601 20 0 EHADLO CC(C)(C)c1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000582173010 1025528540 /nfs/dbraw/zinc/52/85/40/1025528540.db2.gz FJJNCCZMZHVONS-UHFFFAOYSA-N 1 2 340.452 3.938 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000521635696 1025537077 /nfs/dbraw/zinc/53/70/77/1025537077.db2.gz AWBIAICXIWLNNA-OAHLLOKOSA-N 1 2 337.423 3.615 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000521635696 1025537091 /nfs/dbraw/zinc/53/70/91/1025537091.db2.gz AWBIAICXIWLNNA-OAHLLOKOSA-N 1 2 337.423 3.615 20 0 EHADLO CC1(C)C[NH+](Cc2ccc(Oc3ccccc3)nn2)CC(C)(C)O1 ZINC000442872958 1025544949 /nfs/dbraw/zinc/54/49/49/1025544949.db2.gz JLZZTZLLRFGLEF-UHFFFAOYSA-N 1 2 327.428 3.658 20 0 EHADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000530266019 1025549609 /nfs/dbraw/zinc/54/96/09/1025549609.db2.gz ITAMULBRMDNYDU-INIZCTEOSA-N 1 2 344.846 3.544 20 0 EHADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000530266019 1025549629 /nfs/dbraw/zinc/54/96/29/1025549629.db2.gz ITAMULBRMDNYDU-INIZCTEOSA-N 1 2 344.846 3.544 20 0 EHADLO CC(C)c1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1C(C)(C)C ZINC000607714963 1033291920 /nfs/dbraw/zinc/29/19/20/1033291920.db2.gz SFYDVFLRRKRHEK-UHFFFAOYSA-N 1 2 325.416 3.662 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000347149818 1025575137 /nfs/dbraw/zinc/57/51/37/1025575137.db2.gz IHMIEFFNLRUTOK-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000347149818 1025575145 /nfs/dbraw/zinc/57/51/45/1025575145.db2.gz IHMIEFFNLRUTOK-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000574584420 1033292129 /nfs/dbraw/zinc/29/21/29/1033292129.db2.gz YYNONWPDSONOPP-AWEZNQCLSA-N 1 2 345.874 3.822 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000574584420 1033292138 /nfs/dbraw/zinc/29/21/38/1033292138.db2.gz YYNONWPDSONOPP-AWEZNQCLSA-N 1 2 345.874 3.822 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)c3cccnc23)cc1 ZINC000054230979 1025580335 /nfs/dbraw/zinc/58/03/35/1025580335.db2.gz SUVIPFXQLUHCCR-UHFFFAOYSA-N 1 2 341.798 3.734 20 0 EHADLO C[C@H]([NH2+]C(C)(C)c1cccs1)c1ncc(Br)cn1 ZINC000347166792 1025605374 /nfs/dbraw/zinc/60/53/74/1025605374.db2.gz LYVCCAPZBFRCAU-VIFPVBQESA-N 1 2 326.263 3.887 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1ccc2ccoc2c1)[NH+]1CCOCC1 ZINC000442945627 1025614626 /nfs/dbraw/zinc/61/46/26/1025614626.db2.gz QJTCZBBWUHHBOZ-SFHVURJKSA-N 1 2 330.428 3.508 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(-c2ccncc2)on1 ZINC000373705181 1025626026 /nfs/dbraw/zinc/62/60/26/1025626026.db2.gz JAHINDRKXWXNIP-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO CC[C@@H](C[N@H+](C)Cc1nc(C)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000530335627 1025672842 /nfs/dbraw/zinc/67/28/42/1025672842.db2.gz VBOXPTXGUUCLII-NSHDSACASA-N 1 2 344.242 3.974 20 0 EHADLO CC[C@@H](C[N@@H+](C)Cc1nc(C)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000530335627 1025672857 /nfs/dbraw/zinc/67/28/57/1025672857.db2.gz VBOXPTXGUUCLII-NSHDSACASA-N 1 2 344.242 3.974 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)cc(C)[nH+]1 ZINC000521855491 1025731044 /nfs/dbraw/zinc/73/10/44/1025731044.db2.gz HHTUKZQCLLVGRJ-GOSISDBHSA-N 1 2 345.393 3.853 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000425554594 1025737320 /nfs/dbraw/zinc/73/73/20/1025737320.db2.gz OSIVMQBCPNOZMX-AWEZNQCLSA-N 1 2 346.418 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000425554594 1025737336 /nfs/dbraw/zinc/73/73/36/1025737336.db2.gz OSIVMQBCPNOZMX-AWEZNQCLSA-N 1 2 346.418 3.943 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000216161815 1025738527 /nfs/dbraw/zinc/73/85/27/1025738527.db2.gz CBCHJYUNUJAOJD-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348264421 1025761993 /nfs/dbraw/zinc/76/19/93/1025761993.db2.gz DPLTYMPAACCCDP-XQRVVYSFSA-N 1 2 349.409 3.790 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000425565980 1025762597 /nfs/dbraw/zinc/76/25/97/1025762597.db2.gz HGQHQEZQIXHNPW-OALUTQOASA-N 1 2 344.503 3.521 20 0 EHADLO CCOCc1ccccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436499233 1025784321 /nfs/dbraw/zinc/78/43/21/1025784321.db2.gz WQNGQOZZXGUULY-UHFFFAOYSA-N 1 2 327.428 3.865 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1c(Cl)cnc3ccc(OC)cc31)C2 ZINC000896650407 1025803261 /nfs/dbraw/zinc/80/32/61/1025803261.db2.gz HASNOTAQYCROHO-UHFFFAOYSA-N 1 2 342.830 3.676 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000521943466 1025810777 /nfs/dbraw/zinc/81/07/77/1025810777.db2.gz BGOVWJKUMBGKAA-ROUUACIJSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000521943466 1025810802 /nfs/dbraw/zinc/81/08/02/1025810802.db2.gz BGOVWJKUMBGKAA-ROUUACIJSA-N 1 2 347.409 3.540 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586095959 1025828736 /nfs/dbraw/zinc/82/87/36/1025828736.db2.gz PLIJOEGHIQABSO-HXUWFJFHSA-N 1 2 349.478 3.510 20 0 EHADLO CC1(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000515991195 1025844536 /nfs/dbraw/zinc/84/45/36/1025844536.db2.gz PVOCJJBOVHAKHX-UHFFFAOYSA-N 1 2 346.496 3.817 20 0 EHADLO CCCOC1(c2noc(C[N@H+](C)[C@@H]3CCSC3)n2)CCCCC1 ZINC000347312369 1025871274 /nfs/dbraw/zinc/87/12/74/1025871274.db2.gz CGZMIIQPTXXATR-CQSZACIVSA-N 1 2 339.505 3.593 20 0 EHADLO CCCOC1(c2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)CCCCC1 ZINC000347312369 1025871300 /nfs/dbraw/zinc/87/13/00/1025871300.db2.gz CGZMIIQPTXXATR-CQSZACIVSA-N 1 2 339.505 3.593 20 0 EHADLO CCOc1ccc(CN(C(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)cc1 ZINC000522005934 1025875401 /nfs/dbraw/zinc/87/54/01/1025875401.db2.gz IKVNRYSDPVEGQZ-INIZCTEOSA-N 1 2 329.444 3.670 20 0 EHADLO Cc1cc(N[C@H]2CCCc3cn(C4CCCC4)nc32)nc(C2CC2)[nH+]1 ZINC000329486362 1025911262 /nfs/dbraw/zinc/91/12/62/1025911262.db2.gz GHRXZXOUQSYDJN-KRWDZBQOSA-N 1 2 337.471 3.885 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121872625 1025925437 /nfs/dbraw/zinc/92/54/37/1025925437.db2.gz KQFJFRZHNDMIPY-CYBMUJFWSA-N 1 2 349.477 3.834 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121872625 1025925448 /nfs/dbraw/zinc/92/54/48/1025925448.db2.gz KQFJFRZHNDMIPY-CYBMUJFWSA-N 1 2 349.477 3.834 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC000657397980 1025933095 /nfs/dbraw/zinc/93/30/95/1025933095.db2.gz HWCYDBRMQXAHPR-UHFFFAOYSA-N 1 2 328.441 3.694 20 0 EHADLO CC(C)(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000073134592 1025959275 /nfs/dbraw/zinc/95/92/75/1025959275.db2.gz NXIRJFJVYJWZBN-AWEZNQCLSA-N 1 2 325.334 3.579 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473464 1026016892 /nfs/dbraw/zinc/01/68/92/1026016892.db2.gz WFOSIQUZNQSRLQ-DLBZAZTESA-N 1 2 331.504 3.998 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000443439204 1026044515 /nfs/dbraw/zinc/04/45/15/1026044515.db2.gz GSSJYUDDTVTWCO-VBKZILBWSA-N 1 2 329.252 3.663 20 0 EHADLO CC[C@@H](CC(F)F)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821234 1026084292 /nfs/dbraw/zinc/08/42/92/1026084292.db2.gz PYBFOGKOIVYBMX-ZDUSSCGKSA-N 1 2 332.354 3.995 20 0 EHADLO CC[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000103431511 1026086279 /nfs/dbraw/zinc/08/62/79/1026086279.db2.gz ADPLFOIVZUYDBE-CYBMUJFWSA-N 1 2 329.469 3.653 20 0 EHADLO CC[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000103431511 1026086295 /nfs/dbraw/zinc/08/62/95/1026086295.db2.gz ADPLFOIVZUYDBE-CYBMUJFWSA-N 1 2 329.469 3.653 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc[nH+]1 ZINC000530596914 1026112636 /nfs/dbraw/zinc/11/26/36/1026112636.db2.gz CUTDICIZWIWSQO-UHFFFAOYSA-N 1 2 339.782 3.905 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042930386 1026131878 /nfs/dbraw/zinc/13/18/78/1026131878.db2.gz NUMMKCXFIDPPLS-KRWDZBQOSA-N 1 2 342.487 3.945 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(F)cc1 ZINC000516211478 1026139029 /nfs/dbraw/zinc/13/90/29/1026139029.db2.gz XZJAHCCHVGDPTG-FQEVSTJZSA-N 1 2 344.430 3.680 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(F)cc1 ZINC000516211478 1026139053 /nfs/dbraw/zinc/13/90/53/1026139053.db2.gz XZJAHCCHVGDPTG-FQEVSTJZSA-N 1 2 344.430 3.680 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1(c2ccccc2)CCCCC1 ZINC000475099251 1026166557 /nfs/dbraw/zinc/16/65/57/1026166557.db2.gz FIXKKVDJTFBTDT-UHFFFAOYSA-N 1 2 348.450 3.993 20 0 EHADLO O=C(Cc1cccc(O)c1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684864922 1026206200 /nfs/dbraw/zinc/20/62/00/1026206200.db2.gz SBEPDJDZLHOMEX-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CCC1(F)F ZINC001140564523 1026240756 /nfs/dbraw/zinc/24/07/56/1026240756.db2.gz BJEBOFCJVAQBHZ-SNVBAGLBSA-N 1 2 343.723 3.808 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CCC1(F)F ZINC001140564523 1026240760 /nfs/dbraw/zinc/24/07/60/1026240760.db2.gz BJEBOFCJVAQBHZ-SNVBAGLBSA-N 1 2 343.723 3.808 20 0 EHADLO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657428513 1026259293 /nfs/dbraw/zinc/25/92/93/1026259293.db2.gz JXCYSJZJQNBPKX-MRXNPFEDSA-N 1 2 332.835 3.660 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCOCC34CCCCC4)co2)cc1 ZINC000451814154 1026297988 /nfs/dbraw/zinc/29/79/88/1026297988.db2.gz JXWOQMDCPMPGQV-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCOCC34CCCCC4)co2)cc1 ZINC000451814154 1026297999 /nfs/dbraw/zinc/29/79/99/1026297999.db2.gz JXWOQMDCPMPGQV-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO COc1cc[nH+]c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)c1 ZINC000451839050 1026318674 /nfs/dbraw/zinc/31/86/74/1026318674.db2.gz NIROBPWCWMFNTH-NWDGAFQWSA-N 1 2 342.283 3.795 20 0 EHADLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000530835666 1026330494 /nfs/dbraw/zinc/33/04/94/1026330494.db2.gz DMCUEWFNPYYHMV-LBPRGKRZSA-N 1 2 340.254 3.890 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000582462434 1026333180 /nfs/dbraw/zinc/33/31/80/1026333180.db2.gz WPGGHPVTFUOUTD-QZTJIDSGSA-N 1 2 346.434 3.724 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000451875169 1026343965 /nfs/dbraw/zinc/34/39/65/1026343965.db2.gz UTOYBUPVHJEQIJ-GFCCVEGCSA-N 1 2 343.418 3.612 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000451875169 1026343975 /nfs/dbraw/zinc/34/39/75/1026343975.db2.gz UTOYBUPVHJEQIJ-GFCCVEGCSA-N 1 2 343.418 3.612 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913937 1026376517 /nfs/dbraw/zinc/37/65/17/1026376517.db2.gz TYMRJTMHKLNVDX-YPMHNXCESA-N 1 2 334.407 3.546 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913937 1026376525 /nfs/dbraw/zinc/37/65/25/1026376525.db2.gz TYMRJTMHKLNVDX-YPMHNXCESA-N 1 2 334.407 3.546 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(F)c1 ZINC000582473265 1026380762 /nfs/dbraw/zinc/38/07/62/1026380762.db2.gz LHUXWMPCFBDYIA-GFCCVEGCSA-N 1 2 345.418 3.815 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(F)c1 ZINC000582473265 1026380772 /nfs/dbraw/zinc/38/07/72/1026380772.db2.gz LHUXWMPCFBDYIA-GFCCVEGCSA-N 1 2 345.418 3.815 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc(C)[nH+]1 ZINC000582480227 1026392809 /nfs/dbraw/zinc/39/28/09/1026392809.db2.gz FRIXWTDZKKZLMK-UHFFFAOYSA-N 1 2 337.423 3.929 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451963248 1026399728 /nfs/dbraw/zinc/39/97/28/1026399728.db2.gz HGUOAXTZNVXDQE-IUODEOHRSA-N 1 2 327.519 3.603 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451963248 1026399736 /nfs/dbraw/zinc/39/97/36/1026399736.db2.gz HGUOAXTZNVXDQE-IUODEOHRSA-N 1 2 327.519 3.603 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1csc(CC)n1)CCC2 ZINC000192845370 1026400350 /nfs/dbraw/zinc/40/03/50/1026400350.db2.gz RDJHXQJKAGACNF-CYBMUJFWSA-N 1 2 348.468 3.951 20 0 EHADLO CC(C)c1csc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000043601391 1026407916 /nfs/dbraw/zinc/40/79/16/1026407916.db2.gz WLBVHWFBMKBJFV-UHFFFAOYSA-N 1 2 345.472 3.583 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(OC(C)C)CC1 ZINC000530913986 1026414424 /nfs/dbraw/zinc/41/44/24/1026414424.db2.gz IVYGBKYSAFFALU-UHFFFAOYSA-N 1 2 342.439 3.805 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(O)c1 ZINC000530939006 1026421063 /nfs/dbraw/zinc/42/10/63/1026421063.db2.gz UYCBVQKWYQFPEK-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(O)c1 ZINC000530939006 1026421068 /nfs/dbraw/zinc/42/10/68/1026421068.db2.gz UYCBVQKWYQFPEK-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cc(N2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000475273857 1026425098 /nfs/dbraw/zinc/42/50/98/1026425098.db2.gz GLBKQKOWLBNOEX-HNNXBMFYSA-N 1 2 346.519 3.629 20 0 EHADLO Cc1c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cnn1CC(C)C ZINC000347315144 1026433627 /nfs/dbraw/zinc/43/36/27/1026433627.db2.gz JVDHHFYIVQIQHA-QGZVFWFLSA-N 1 2 348.878 3.742 20 0 EHADLO COc1cc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)ccc1O ZINC000785410033 1026457986 /nfs/dbraw/zinc/45/79/86/1026457986.db2.gz QWGUFRJPXIEDJL-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C ZINC000475363430 1026514920 /nfs/dbraw/zinc/51/49/20/1026514920.db2.gz CXAODAPMELUAIZ-MFKMUULPSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C ZINC000475363430 1026514929 /nfs/dbraw/zinc/51/49/29/1026514929.db2.gz CXAODAPMELUAIZ-MFKMUULPSA-N 1 2 349.780 3.990 20 0 EHADLO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)cc1F ZINC000152673594 1026516588 /nfs/dbraw/zinc/51/65/88/1026516588.db2.gz XPFRNNDPOFDFFJ-KRWDZBQOSA-N 1 2 328.366 3.786 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000531077927 1026522956 /nfs/dbraw/zinc/52/29/56/1026522956.db2.gz LKZXSMWSXIBZQB-MAUKXSAKSA-N 1 2 344.434 3.595 20 0 EHADLO CC(C)CN(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475373843 1026528955 /nfs/dbraw/zinc/52/89/55/1026528955.db2.gz YDUSWJFNYXSNJF-UHFFFAOYSA-N 1 2 336.439 3.702 20 0 EHADLO CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H](C)c1ccc(F)cc1 ZINC000475373774 1026534054 /nfs/dbraw/zinc/53/40/54/1026534054.db2.gz XRPXQKJPFIVSGT-AWEZNQCLSA-N 1 2 340.402 3.766 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000475373868 1026540689 /nfs/dbraw/zinc/54/06/89/1026540689.db2.gz YNXKUNNIGCVARF-INIZCTEOSA-N 1 2 328.460 3.692 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000475386530 1026547876 /nfs/dbraw/zinc/54/78/76/1026547876.db2.gz IOCSHOJPQZEFPS-LJQANCHMSA-N 1 2 348.450 3.641 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(OC)c1 ZINC000168016855 1026648972 /nfs/dbraw/zinc/64/89/72/1026648972.db2.gz WZGXOJDVEYTNLQ-BBRMVZONSA-N 1 2 344.459 3.604 20 0 EHADLO CCc1ccccc1NC(=O)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301066220 1026673658 /nfs/dbraw/zinc/67/36/58/1026673658.db2.gz QBFAMMWEYVXZOK-UHFFFAOYSA-N 1 2 326.444 3.546 20 0 EHADLO O=C(Nc1nc(C2CCC2)cs1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000277718584 1026675282 /nfs/dbraw/zinc/67/52/82/1026675282.db2.gz OEHFHMAGQRBTAQ-UHFFFAOYSA-N 1 2 338.436 3.908 20 0 EHADLO CCCn1nccc1C[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000657486477 1026714892 /nfs/dbraw/zinc/71/48/92/1026714892.db2.gz BQQMDOHXBIJADG-IBGZPJMESA-N 1 2 325.412 3.774 20 0 EHADLO Cc1cc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)ncn1 ZINC000301224828 1026729673 /nfs/dbraw/zinc/72/96/73/1026729673.db2.gz FCXDJWPGARRMFF-UHFFFAOYSA-N 1 2 325.441 3.617 20 0 EHADLO Cc1cc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)ncn1 ZINC000301224828 1026729683 /nfs/dbraw/zinc/72/96/83/1026729683.db2.gz FCXDJWPGARRMFF-UHFFFAOYSA-N 1 2 325.441 3.617 20 0 EHADLO Brc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301244910 1026736109 /nfs/dbraw/zinc/73/61/09/1026736109.db2.gz NQGRWEOTOMRRET-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO Brc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301244910 1026736127 /nfs/dbraw/zinc/73/61/27/1026736127.db2.gz NQGRWEOTOMRRET-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO COc1ccc(CCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301257318 1026741726 /nfs/dbraw/zinc/74/17/26/1026741726.db2.gz RGDMTIPPHLZCPO-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO COc1ccc(CCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301257318 1026741733 /nfs/dbraw/zinc/74/17/33/1026741733.db2.gz RGDMTIPPHLZCPO-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c(F)cccc3NC3CC3)[nH+]c12 ZINC000531304268 1026774976 /nfs/dbraw/zinc/77/49/76/1026774976.db2.gz POJJCCYTKDNEDY-UHFFFAOYSA-N 1 2 338.386 3.537 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)NCCCNc1cccc[nH+]1 ZINC000115160553 1026777578 /nfs/dbraw/zinc/77/75/78/1026777578.db2.gz ZZPLXVUFLAXJIR-UHFFFAOYSA-N 1 2 331.847 3.676 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657504425 1026796790 /nfs/dbraw/zinc/79/67/90/1026796790.db2.gz HRQZICPFOHAUIB-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000611664442 1026802252 /nfs/dbraw/zinc/80/22/52/1026802252.db2.gz IEJPSSPAMQALEN-RKTXRCNFSA-N 1 2 341.455 3.679 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)Cc1nccs1 ZINC000301437132 1026804982 /nfs/dbraw/zinc/80/49/82/1026804982.db2.gz MUUIBTNUDDQWNK-UHFFFAOYSA-N 1 2 341.436 3.813 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000301488223 1026824457 /nfs/dbraw/zinc/82/44/57/1026824457.db2.gz JDXJZSGMVXXSNW-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452541415 1026827040 /nfs/dbraw/zinc/82/70/40/1026827040.db2.gz LRSHOGUZHGIGKJ-KRWDZBQOSA-N 1 2 325.456 3.725 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000452589101 1026839765 /nfs/dbraw/zinc/83/97/65/1026839765.db2.gz KIBAYSIRIQGBMI-DYVFJYSZSA-N 1 2 347.821 3.506 20 0 EHADLO Cc1nc(NCCc2cnn(-c3ccccc3)c2)c2c([nH+]1)CCCC2 ZINC000301537879 1026844878 /nfs/dbraw/zinc/84/48/78/1026844878.db2.gz AYZZYFOXIDXIMB-UHFFFAOYSA-N 1 2 333.439 3.504 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000025415929 1026857954 /nfs/dbraw/zinc/85/79/54/1026857954.db2.gz IOHQTZQDBRBUNB-NRFANRHFSA-N 1 2 331.419 3.708 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000025416992 1026858719 /nfs/dbraw/zinc/85/87/19/1026858719.db2.gz CVFBNTHZXGEAIU-QFIPXVFZSA-N 1 2 345.446 3.962 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416457 1026859214 /nfs/dbraw/zinc/85/92/14/1026859214.db2.gz UDZUWDZSKMFVIP-JOCHJYFZSA-N 1 2 345.446 3.962 20 0 EHADLO CC(C)[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1cccnc1 ZINC000301589859 1026865078 /nfs/dbraw/zinc/86/50/78/1026865078.db2.gz SVBKZIALTCPBBB-QGZVFWFLSA-N 1 2 325.460 3.714 20 0 EHADLO CC(C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccnc1 ZINC000301589859 1026865085 /nfs/dbraw/zinc/86/50/85/1026865085.db2.gz SVBKZIALTCPBBB-QGZVFWFLSA-N 1 2 325.460 3.714 20 0 EHADLO Cn1cc([C@@H]([NH2+][C@H]2CCCc3cccnc32)c2ccc(F)cc2)cn1 ZINC000684962906 1026865446 /nfs/dbraw/zinc/86/54/46/1026865446.db2.gz ZGNFYMOTYHZFCV-OALUTQOASA-N 1 2 336.414 3.711 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c12 ZINC000301651788 1026888686 /nfs/dbraw/zinc/88/86/86/1026888686.db2.gz GMXAEUUPCDPVOC-QXAKKESOSA-N 1 2 339.402 3.566 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000452649331 1026897776 /nfs/dbraw/zinc/89/77/76/1026897776.db2.gz JVZNJJGQSSUKHM-TZMCWYRMSA-N 1 2 337.345 3.675 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301792158 1026939712 /nfs/dbraw/zinc/93/97/12/1026939712.db2.gz RDLLFWJTQQBFRG-CABCVRRESA-N 1 2 348.491 3.790 20 0 EHADLO Clc1ccccc1[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000301820991 1026951011 /nfs/dbraw/zinc/95/10/11/1026951011.db2.gz JUBKZSQAPFMUGD-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccccc1[C@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CCO1 ZINC000301820991 1026951020 /nfs/dbraw/zinc/95/10/20/1026951020.db2.gz JUBKZSQAPFMUGD-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H]1Cc1ccccc1 ZINC000301823114 1026953171 /nfs/dbraw/zinc/95/31/71/1026953171.db2.gz CFWCBWQTDCOLNE-INIZCTEOSA-N 1 2 335.455 3.793 20 0 EHADLO CC(C)c1cc(N2CCN(CC(F)(F)F)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301850639 1026963881 /nfs/dbraw/zinc/96/38/81/1026963881.db2.gz BBIAPILJBVUTII-CYBMUJFWSA-N 1 2 344.425 3.796 20 0 EHADLO Nc1nc(NCc2ccccc2OCC(F)(F)F)[nH+]c2ccccc12 ZINC000301880474 1026976224 /nfs/dbraw/zinc/97/62/24/1026976224.db2.gz LRNKDANYMUQTCL-UHFFFAOYSA-N 1 2 348.328 3.765 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(OC(F)F)c1 ZINC000301888668 1026979901 /nfs/dbraw/zinc/97/99/01/1026979901.db2.gz QAFOEBWETAKJNM-SNVBAGLBSA-N 1 2 330.338 3.987 20 0 EHADLO OCC[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000305782509 1026982092 /nfs/dbraw/zinc/98/20/92/1026982092.db2.gz VMEWLCNROQWRPJ-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO COc1ccc(Cl)cc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301896440 1026984044 /nfs/dbraw/zinc/98/40/44/1026984044.db2.gz QLBHWCSOCAHNKG-UHFFFAOYSA-N 1 2 345.834 3.855 20 0 EHADLO Cc1c[nH+]c(CN2CCC[C@H]2c2ccc(Br)s2)n1C ZINC000342767806 1026990843 /nfs/dbraw/zinc/99/08/43/1026990843.db2.gz FPVHOMXJTHXHPK-NSHDSACASA-N 1 2 340.290 3.890 20 0 EHADLO c1ccc(COc2cccc(CNc3cc(NC4CC4)[nH+]cn3)c2)nc1 ZINC000665692256 1027018710 /nfs/dbraw/zinc/01/87/10/1027018710.db2.gz UQHPMRXVILIVTI-UHFFFAOYSA-N 1 2 347.422 3.637 20 0 EHADLO c1ccc(COc2cccc(CNc3cc(NC4CC4)nc[nH+]3)c2)nc1 ZINC000665692256 1027018718 /nfs/dbraw/zinc/01/87/18/1027018718.db2.gz UQHPMRXVILIVTI-UHFFFAOYSA-N 1 2 347.422 3.637 20 0 EHADLO Cc1nc(N2CCC(Oc3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000302053057 1027036473 /nfs/dbraw/zinc/03/64/73/1027036473.db2.gz PELLASHOKRZBEH-UHFFFAOYSA-N 1 2 341.430 3.851 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074595026 1027054805 /nfs/dbraw/zinc/05/48/05/1027054805.db2.gz QZKJNXXOUSROHZ-MRXNPFEDSA-N 1 2 343.496 3.929 20 0 EHADLO Cc1ccn(-c2ccccc2CNc2nc(C)[nH+]c3c2CCCC3)n1 ZINC000302126213 1027061799 /nfs/dbraw/zinc/06/17/99/1027061799.db2.gz ZOIVVXLDIFYPKW-UHFFFAOYSA-N 1 2 333.439 3.770 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123240167 1027071199 /nfs/dbraw/zinc/07/11/99/1027071199.db2.gz JQRRDSRGIVIWBD-APWZRJJASA-N 1 2 341.455 3.641 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1nccs1 ZINC000074782733 1027075107 /nfs/dbraw/zinc/07/51/07/1027075107.db2.gz DGHPGJAJFNXVQO-UHFFFAOYSA-N 1 2 327.409 3.504 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1F ZINC000123280017 1027083323 /nfs/dbraw/zinc/08/33/23/1027083323.db2.gz FLYBPFXNPWGFDM-XJKSGUPXSA-N 1 2 346.377 3.533 20 0 EHADLO CC(C)c1nccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000302194366 1027085784 /nfs/dbraw/zinc/08/57/84/1027085784.db2.gz WVLZOAJZUDRDAJ-UHFFFAOYSA-N 1 2 347.466 3.602 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000531594089 1027089070 /nfs/dbraw/zinc/08/90/70/1027089070.db2.gz UXZSIPMCEKTNFM-UHFFFAOYSA-N 1 2 341.386 3.752 20 0 EHADLO Fc1cccc(F)c1[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302213856 1027091549 /nfs/dbraw/zinc/09/15/49/1027091549.db2.gz GDRQYQQUEMFSMB-ZDUSSCGKSA-N 1 2 330.382 3.571 20 0 EHADLO Fc1cccc(F)c1[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302213856 1027091560 /nfs/dbraw/zinc/09/15/60/1027091560.db2.gz GDRQYQQUEMFSMB-ZDUSSCGKSA-N 1 2 330.382 3.571 20 0 EHADLO Cc1c[nH+]c(CN2CCC(c3ccccc3Br)CC2)n1C ZINC000342796687 1027104140 /nfs/dbraw/zinc/10/41/40/1027104140.db2.gz LIKOHQROBITXKW-UHFFFAOYSA-N 1 2 348.288 3.871 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)[nH+]c12 ZINC000075390040 1027126288 /nfs/dbraw/zinc/12/62/88/1027126288.db2.gz RPPBGUBNZOMTGP-RHSMWYFYSA-N 1 2 337.423 3.778 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(F)cc3F)C2)nc(C(C)C)[nH+]1 ZINC000302394347 1027137572 /nfs/dbraw/zinc/13/75/72/1027137572.db2.gz ITYGAHFXUYAKAO-MRXNPFEDSA-N 1 2 333.382 3.765 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459267675 1027156087 /nfs/dbraw/zinc/15/60/87/1027156087.db2.gz DIJWKSYTEVQUKH-IEBWSBKVSA-N 1 2 332.492 3.520 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2nc(CC(F)(F)F)no2)CC2CC2)cc1 ZINC000075746280 1027164565 /nfs/dbraw/zinc/16/45/65/1027164565.db2.gz NMJIBQAXDQLJGG-UHFFFAOYSA-N 1 2 343.324 3.726 20 0 EHADLO Fc1ccc(C[N@H+](Cc2nc(CC(F)(F)F)no2)CC2CC2)cc1 ZINC000075746280 1027164570 /nfs/dbraw/zinc/16/45/70/1027164570.db2.gz NMJIBQAXDQLJGG-UHFFFAOYSA-N 1 2 343.324 3.726 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552592 1027168616 /nfs/dbraw/zinc/16/86/16/1027168616.db2.gz GYZFIKCHZZSNRE-HOTGVXAUSA-N 1 2 341.455 3.708 20 0 EHADLO COc1cccc2c(NC3CCN(C(=O)OC(C)C)CC3)cc[nH+]c12 ZINC000302496522 1027169193 /nfs/dbraw/zinc/16/91/93/1027169193.db2.gz BLAXZCLMMOYJLY-UHFFFAOYSA-N 1 2 343.427 3.665 20 0 EHADLO COc1cccc2c(N3CCC(C4CCOCC4)CC3)cc[nH+]c12 ZINC000302496622 1027169668 /nfs/dbraw/zinc/16/96/68/1027169668.db2.gz BPRBXIQDMJDGFX-UHFFFAOYSA-N 1 2 326.440 3.886 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557111 1027171873 /nfs/dbraw/zinc/17/18/73/1027171873.db2.gz ZPSUBASIBSJRND-LHRNQBEKSA-N 1 2 349.356 3.848 20 0 EHADLO COc1cccc2c(N[C@@H]3CCC[C@@H](C(=O)NC(C)C)C3)cc[nH+]c12 ZINC000302567004 1027196439 /nfs/dbraw/zinc/19/64/39/1027196439.db2.gz WUOHYWOLWMFGII-HUUCEWRRSA-N 1 2 341.455 3.739 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000123381402 1027197757 /nfs/dbraw/zinc/19/77/57/1027197757.db2.gz CFYPJVSGLNCGQJ-KBPBESRZSA-N 1 2 333.395 3.820 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959870 1027212570 /nfs/dbraw/zinc/21/25/70/1027212570.db2.gz KITPCEBHJQOLDO-NSHDSACASA-N 1 2 338.333 3.840 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000075971198 1027217001 /nfs/dbraw/zinc/21/70/01/1027217001.db2.gz IKKPVYPHTFRQEY-UHFFFAOYSA-N 1 2 340.471 3.881 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000841694332 1027248518 /nfs/dbraw/zinc/24/85/18/1027248518.db2.gz XBCLEPGCQOONJC-HUUCEWRRSA-N 1 2 347.532 3.981 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000841694332 1027248528 /nfs/dbraw/zinc/24/85/28/1027248528.db2.gz XBCLEPGCQOONJC-HUUCEWRRSA-N 1 2 347.532 3.981 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)CCO2)c1 ZINC000513714091 1027262293 /nfs/dbraw/zinc/26/22/93/1027262293.db2.gz YBFOLHVDQZNKCS-DJKXOVBDSA-N 1 2 327.424 3.985 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)CCO2)c1 ZINC000513714091 1027262309 /nfs/dbraw/zinc/26/23/09/1027262309.db2.gz YBFOLHVDQZNKCS-DJKXOVBDSA-N 1 2 327.424 3.985 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)s2)cc1OCC ZINC000273128812 1027277835 /nfs/dbraw/zinc/27/78/35/1027277835.db2.gz IKJVVMXAPVBJTM-LBPRGKRZSA-N 1 2 335.473 3.749 20 0 EHADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000273139743 1027282602 /nfs/dbraw/zinc/28/26/02/1027282602.db2.gz DRKWAIMCSJJUQA-OLZOCXBDSA-N 1 2 349.377 3.928 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC000273138889 1027283076 /nfs/dbraw/zinc/28/30/76/1027283076.db2.gz JUAYJGOTEWDEQR-SECBINFHSA-N 1 2 331.363 3.850 20 0 EHADLO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835653 1027318357 /nfs/dbraw/zinc/31/83/57/1027318357.db2.gz VUEDRPBXYQFRBQ-FUHWJXTLSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835653 1027318372 /nfs/dbraw/zinc/31/83/72/1027318372.db2.gz VUEDRPBXYQFRBQ-FUHWJXTLSA-N 1 2 347.821 3.934 20 0 EHADLO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)ccc1OCC(C)C ZINC000657568691 1027329892 /nfs/dbraw/zinc/32/98/92/1027329892.db2.gz KUFOMCJMZXTICR-GOEBONIOSA-N 1 2 344.459 3.507 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1cccc(Cl)c1 ZINC000302887128 1027342428 /nfs/dbraw/zinc/34/24/28/1027342428.db2.gz LURFHZPOKQVXFU-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1cccc(Cl)c1 ZINC000302887128 1027342442 /nfs/dbraw/zinc/34/24/42/1027342442.db2.gz LURFHZPOKQVXFU-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO CC(C)COc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302883536 1027342823 /nfs/dbraw/zinc/34/28/23/1027342823.db2.gz JNUCISKBGPOGGJ-UHFFFAOYSA-N 1 2 326.444 3.724 20 0 EHADLO CC(C)COc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302883536 1027342835 /nfs/dbraw/zinc/34/28/35/1027342835.db2.gz JNUCISKBGPOGGJ-UHFFFAOYSA-N 1 2 326.444 3.724 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000076724826 1027345618 /nfs/dbraw/zinc/34/56/18/1027345618.db2.gz MAIJAQCJKVHELX-CQSZACIVSA-N 1 2 347.434 3.761 20 0 EHADLO CCCCCOc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccc1OC ZINC000657567401 1027349238 /nfs/dbraw/zinc/34/92/38/1027349238.db2.gz AXHNMIZSKCXZPE-ZBFHGGJFSA-N 1 2 344.459 3.651 20 0 EHADLO c1ccc(SC[C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302899964 1027352803 /nfs/dbraw/zinc/35/28/03/1027352803.db2.gz QGZORDJWAOFREI-INIZCTEOSA-N 1 2 340.496 3.695 20 0 EHADLO c1ccc(SC[C@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302899964 1027352820 /nfs/dbraw/zinc/35/28/20/1027352820.db2.gz QGZORDJWAOFREI-INIZCTEOSA-N 1 2 340.496 3.695 20 0 EHADLO Cc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)c(OC(C)C)c1 ZINC000302901856 1027353617 /nfs/dbraw/zinc/35/36/17/1027353617.db2.gz QVXFDHSOVIBGQD-UHFFFAOYSA-N 1 2 326.444 3.785 20 0 EHADLO Cc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)c(OC(C)C)c1 ZINC000302901856 1027353637 /nfs/dbraw/zinc/35/36/37/1027353637.db2.gz QVXFDHSOVIBGQD-UHFFFAOYSA-N 1 2 326.444 3.785 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3ccc(Cl)cc3)CCCCC2)no1 ZINC000532656652 1027357258 /nfs/dbraw/zinc/35/72/58/1027357258.db2.gz GQRIYHFFGOUCNG-UHFFFAOYSA-N 1 2 335.835 3.859 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000077174506 1027357472 /nfs/dbraw/zinc/35/74/72/1027357472.db2.gz RXHOWCHBQJTUEV-GJZGRUSLSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000077174506 1027357487 /nfs/dbraw/zinc/35/74/87/1027357487.db2.gz RXHOWCHBQJTUEV-GJZGRUSLSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1C ZINC000302914899 1027359835 /nfs/dbraw/zinc/35/98/35/1027359835.db2.gz VIGJKURTSBCAQU-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cccc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1C ZINC000302914899 1027359854 /nfs/dbraw/zinc/35/98/54/1027359854.db2.gz VIGJKURTSBCAQU-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1nccc(N)n1 ZINC000273320906 1027374589 /nfs/dbraw/zinc/37/45/89/1027374589.db2.gz RANDCOCKLMEAAB-GFCCVEGCSA-N 1 2 339.468 3.650 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3c(C)nn(C)c3C)n2)cc1 ZINC000273329752 1027381638 /nfs/dbraw/zinc/38/16/38/1027381638.db2.gz RZBNSPCBMJKOBI-CYBMUJFWSA-N 1 2 339.443 3.500 20 0 EHADLO CCC(=O)N1CCC[N@H+](Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000077388429 1027406304 /nfs/dbraw/zinc/40/63/04/1027406304.db2.gz CAYRRRZGWUOMOW-UHFFFAOYSA-N 1 2 345.874 3.641 20 0 EHADLO CCC(=O)N1CCC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000077388429 1027406316 /nfs/dbraw/zinc/40/63/16/1027406316.db2.gz CAYRRRZGWUOMOW-UHFFFAOYSA-N 1 2 345.874 3.641 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(OC[C@H]2CCCO2)c1 ZINC000453150424 1027420159 /nfs/dbraw/zinc/42/01/59/1027420159.db2.gz XVHOTWJNDYKOSH-CGTJXYLNSA-N 1 2 341.455 3.545 20 0 EHADLO O=C(Nc1cccc(O)c1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000128365848 1027426627 /nfs/dbraw/zinc/42/66/27/1027426627.db2.gz ADZCSQGSYBVDAF-INIZCTEOSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1cccc(O)c1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000128365848 1027426636 /nfs/dbraw/zinc/42/66/36/1027426636.db2.gz ADZCSQGSYBVDAF-INIZCTEOSA-N 1 2 328.387 3.525 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Oc3ccccc3)nn2)on1 ZINC000536570304 1027432397 /nfs/dbraw/zinc/43/23/97/1027432397.db2.gz QLFUZMCKIJLENU-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(Oc3ccccc3)nn2)on1 ZINC000536570304 1027432404 /nfs/dbraw/zinc/43/24/04/1027432404.db2.gz QLFUZMCKIJLENU-KRWDZBQOSA-N 1 2 336.395 3.902 20 0 EHADLO c1cc(NC2CCC(OC3CCCC3)CC2)[nH+]cc1N1CCOCC1 ZINC000453176304 1027455298 /nfs/dbraw/zinc/45/52/98/1027455298.db2.gz LZSZUJXJKDEYTM-UHFFFAOYSA-N 1 2 345.487 3.601 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000459303915 1027468056 /nfs/dbraw/zinc/46/80/56/1027468056.db2.gz GFZMPMBMGVGMPH-SFHVURJKSA-N 1 2 340.471 3.671 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000459303915 1027468067 /nfs/dbraw/zinc/46/80/67/1027468067.db2.gz GFZMPMBMGVGMPH-SFHVURJKSA-N 1 2 340.471 3.671 20 0 EHADLO Cc1nc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c(C)c(C)[nH+]1 ZINC000664301277 1027469934 /nfs/dbraw/zinc/46/99/34/1027469934.db2.gz SOVLJTQNUKMZDH-LBPRGKRZSA-N 1 2 337.349 3.552 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273521801 1027472501 /nfs/dbraw/zinc/47/25/01/1027472501.db2.gz QCRVGBYOXZSYQY-JKSUJKDBSA-N 1 2 347.434 3.858 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273521801 1027472516 /nfs/dbraw/zinc/47/25/16/1027472516.db2.gz QCRVGBYOXZSYQY-JKSUJKDBSA-N 1 2 347.434 3.858 20 0 EHADLO Fc1cccc2cnc(N3CCC[N@H+](Cc4cscn4)CC3)cc12 ZINC000892297107 1027481965 /nfs/dbraw/zinc/48/19/65/1027481965.db2.gz BWOJONJRWJFLSL-UHFFFAOYSA-N 1 2 342.443 3.543 20 0 EHADLO Fc1cccc2cnc(N3CCC[N@@H+](Cc4cscn4)CC3)cc12 ZINC000892297107 1027481978 /nfs/dbraw/zinc/48/19/78/1027481978.db2.gz BWOJONJRWJFLSL-UHFFFAOYSA-N 1 2 342.443 3.543 20 0 EHADLO Cc1cc(NC(=O)COC(c2ccccc2)c2ccccc2)c(C)c[nH+]1 ZINC000536574606 1027491771 /nfs/dbraw/zinc/49/17/71/1027491771.db2.gz FLRNRFAKFKZRJG-UHFFFAOYSA-N 1 2 346.430 3.865 20 0 EHADLO Cc1ccc([C@@H](c2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495180 1027563736 /nfs/dbraw/zinc/56/37/36/1027563736.db2.gz BKZRDJHFMNHARD-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccc([C@@H](c2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)cc1 ZINC000420495180 1027563747 /nfs/dbraw/zinc/56/37/47/1027563747.db2.gz BKZRDJHFMNHARD-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Cl)cc1Nc1ccccc1 ZINC000487490694 1027591918 /nfs/dbraw/zinc/59/19/18/1027591918.db2.gz XJBJGFTUUUEFOZ-UHFFFAOYSA-N 1 2 326.787 3.919 20 0 EHADLO Cc1ccc(F)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000475542906 1027595465 /nfs/dbraw/zinc/59/54/65/1027595465.db2.gz AUKGLCWYWJGBCF-HNNXBMFYSA-N 1 2 343.320 3.856 20 0 EHADLO FC1(c2cccnc2)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000342844240 1027602199 /nfs/dbraw/zinc/60/21/99/1027602199.db2.gz DUEMKTQRUGNWHA-UHFFFAOYSA-N 1 2 344.821 3.844 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000047679137 1027604958 /nfs/dbraw/zinc/60/49/58/1027604958.db2.gz WWCAXPWUMJDZFL-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1C(F)(F)F ZINC000414460231 1027612756 /nfs/dbraw/zinc/61/27/56/1027612756.db2.gz XWRGHWIVPPNQNA-UHFFFAOYSA-N 1 2 326.366 3.650 20 0 EHADLO C[C@H]1CCN(c2nc(C3CCCCC3)ns2)C[C@@H]1n1cc[nH+]c1 ZINC000420604402 1027640766 /nfs/dbraw/zinc/64/07/66/1027640766.db2.gz SFBRNEZIFWVVMD-ZFWWWQNUSA-N 1 2 331.489 3.870 20 0 EHADLO Cc1c[nH+]c(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n1C ZINC000342853522 1027657379 /nfs/dbraw/zinc/65/73/79/1027657379.db2.gz FSOCQJWWTAZXOW-INIZCTEOSA-N 1 2 341.352 3.818 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@](C)(c4ccccc4)C3)[nH+]c12 ZINC000261406967 1027670371 /nfs/dbraw/zinc/67/03/71/1027670371.db2.gz HHVWCQXZFDUIKQ-JOCHJYFZSA-N 1 2 347.462 3.766 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000078362763 1027724245 /nfs/dbraw/zinc/72/42/45/1027724245.db2.gz WUKOMSGYYAYWJJ-SECBINFHSA-N 1 2 330.190 3.597 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)NCc3cc(C)[nH+]c(C)c3)cc2c1C ZINC000420785646 1027732062 /nfs/dbraw/zinc/73/20/62/1027732062.db2.gz YMGRTTOPHGTXNP-UHFFFAOYSA-N 1 2 336.439 3.796 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc(C)[nH+]1 ZINC000420847974 1027789651 /nfs/dbraw/zinc/78/96/51/1027789651.db2.gz LKLTVZAFQSIRJJ-JSGCOSHPSA-N 1 2 329.366 3.571 20 0 EHADLO O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000665844228 1027792315 /nfs/dbraw/zinc/79/23/15/1027792315.db2.gz KJRAKBANXXDSQE-CRAIPNDOSA-N 1 2 349.425 3.514 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420848430 1027792831 /nfs/dbraw/zinc/79/28/31/1027792831.db2.gz MDNPDDIHLJZCIU-KRWDZBQOSA-N 1 2 327.403 3.537 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC2CC2)c(C)c1 ZINC000533391977 1027796553 /nfs/dbraw/zinc/79/65/53/1027796553.db2.gz XVTXYKSPHXPBRK-LJQANCHMSA-N 1 2 340.471 3.731 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420856140 1027800655 /nfs/dbraw/zinc/80/06/55/1027800655.db2.gz XJYIBDYNWVVHIF-LJQANCHMSA-N 1 2 325.456 3.861 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425225783 1027842508 /nfs/dbraw/zinc/84/25/08/1027842508.db2.gz PMAQSVRPXXUEDG-GOSISDBHSA-N 1 2 337.423 3.962 20 0 EHADLO CC[C@]1(C)Oc2ccc(NC(=O)NCc3c[nH+]c(C)cc3C)cc2O1 ZINC000455220299 1027846436 /nfs/dbraw/zinc/84/64/36/1027846436.db2.gz DETACGRLZGVLJQ-LJQANCHMSA-N 1 2 341.411 3.918 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000420934909 1027886622 /nfs/dbraw/zinc/88/66/22/1027886622.db2.gz XVXBNAUNWNZJOD-IUODEOHRSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000420934909 1027886643 /nfs/dbraw/zinc/88/66/43/1027886643.db2.gz XVXBNAUNWNZJOD-IUODEOHRSA-N 1 2 336.501 3.963 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2nn(C)c3ccccc23)cc1OC ZINC000631113269 1027897145 /nfs/dbraw/zinc/89/71/45/1027897145.db2.gz UZFHGNGZRLSQQM-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO CCCCOC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533448205 1027912713 /nfs/dbraw/zinc/91/27/13/1027912713.db2.gz PRVUUCIGZILGBX-UHFFFAOYSA-N 1 2 349.862 3.770 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111767500 1027932338 /nfs/dbraw/zinc/93/23/38/1027932338.db2.gz HMKSIGMVHHDAEW-UHFFFAOYSA-N 1 2 341.459 3.597 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000132678128 1027953692 /nfs/dbraw/zinc/95/36/92/1027953692.db2.gz UWBSRVLHHHXASE-IAGOWNOFSA-N 1 2 331.504 3.808 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000533492976 1027954423 /nfs/dbraw/zinc/95/44/23/1027954423.db2.gz KMOVJBCYDMSGHP-QWHCGFSZSA-N 1 2 330.394 3.699 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000533492976 1027954435 /nfs/dbraw/zinc/95/44/35/1027954435.db2.gz KMOVJBCYDMSGHP-QWHCGFSZSA-N 1 2 330.394 3.699 20 0 EHADLO Clc1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421010341 1027964779 /nfs/dbraw/zinc/96/47/79/1027964779.db2.gz COGPTPLYRZUDLP-IBGZPJMESA-N 1 2 344.842 3.679 20 0 EHADLO Clc1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421010341 1027964797 /nfs/dbraw/zinc/96/47/97/1027964797.db2.gz COGPTPLYRZUDLP-IBGZPJMESA-N 1 2 344.842 3.679 20 0 EHADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccsc1 ZINC000421005371 1027983664 /nfs/dbraw/zinc/98/36/64/1027983664.db2.gz JEPLIXLJTYYHCV-HNNXBMFYSA-N 1 2 337.510 3.993 20 0 EHADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccsc1 ZINC000421005371 1027983684 /nfs/dbraw/zinc/98/36/84/1027983684.db2.gz JEPLIXLJTYYHCV-HNNXBMFYSA-N 1 2 337.510 3.993 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccccc2OC2CCCC2)c1F ZINC000657672416 1027997095 /nfs/dbraw/zinc/99/70/95/1027997095.db2.gz AULMPJPDUCINIP-UHFFFAOYSA-N 1 2 330.403 3.841 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1nccs1 ZINC000414492840 1028022437 /nfs/dbraw/zinc/02/24/37/1028022437.db2.gz GIDRUXBVNUCKNS-LBPRGKRZSA-N 1 2 330.432 3.936 20 0 EHADLO CC(C)CC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000342910923 1028069826 /nfs/dbraw/zinc/06/98/26/1028069826.db2.gz KXKCBDREHPDIEA-KRWDZBQOSA-N 1 2 325.456 3.874 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000422945847 1028081475 /nfs/dbraw/zinc/08/14/75/1028081475.db2.gz VLGWURRVXALKFH-CQSZACIVSA-N 1 2 344.814 3.728 20 0 EHADLO [NH3+][C@H](C(=O)NCC1(c2ccccc2)CCCC1)c1c(F)cccc1F ZINC000422945137 1028082208 /nfs/dbraw/zinc/08/22/08/1028082208.db2.gz MPFFRWHPOJNGIO-SFHVURJKSA-N 1 2 344.405 3.593 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](C(C)(C)C)CC3)[nH+]c12 ZINC000261434245 1028113820 /nfs/dbraw/zinc/11/38/20/1028113820.db2.gz KVBGKDIPNZGXNX-INIZCTEOSA-N 1 2 327.472 3.860 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2cccs2)cc1)C1CC1 ZINC000444654095 1028116516 /nfs/dbraw/zinc/11/65/16/1028116516.db2.gz XUNIDPYUQSANHW-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CC1 ZINC000444654095 1028116526 /nfs/dbraw/zinc/11/65/26/1028116526.db2.gz XUNIDPYUQSANHW-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444663492 1028133066 /nfs/dbraw/zinc/13/30/66/1028133066.db2.gz PATLDYOOVJPLTR-RDJZCZTQSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1noc(C)c1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421178827 1028157498 /nfs/dbraw/zinc/15/74/98/1028157498.db2.gz DBRVXUZQVBVCOB-UHFFFAOYSA-N 1 2 332.469 3.557 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccccc2OC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000125909709 1028160680 /nfs/dbraw/zinc/16/06/80/1028160680.db2.gz FDQHHCSXSCRROB-QAPCUYQASA-N 1 2 339.439 3.538 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)NCc2ccccc2C)c1 ZINC000444731709 1028194448 /nfs/dbraw/zinc/19/44/48/1028194448.db2.gz JMGBJTWGOSPMED-MRXNPFEDSA-N 1 2 328.431 3.579 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)NCc2ccccc2C)c1 ZINC000444731709 1028194462 /nfs/dbraw/zinc/19/44/62/1028194462.db2.gz JMGBJTWGOSPMED-MRXNPFEDSA-N 1 2 328.431 3.579 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000444729964 1028194899 /nfs/dbraw/zinc/19/48/99/1028194899.db2.gz GLYDCOPGXSQWJQ-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000444729964 1028194910 /nfs/dbraw/zinc/19/49/10/1028194910.db2.gz GLYDCOPGXSQWJQ-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135580088 1028203690 /nfs/dbraw/zinc/20/36/90/1028203690.db2.gz DMPPJTKKQBOOSV-OAHLLOKOSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135580088 1028203706 /nfs/dbraw/zinc/20/37/06/1028203706.db2.gz DMPPJTKKQBOOSV-OAHLLOKOSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCOc2c(C)cccc2C)c(C)[nH+]1 ZINC000455470209 1028203944 /nfs/dbraw/zinc/20/39/44/1028203944.db2.gz IGUSQQTYORWZHU-UHFFFAOYSA-N 1 2 327.428 3.824 20 0 EHADLO Cc1ccccc1C1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423154938 1028215117 /nfs/dbraw/zinc/21/51/17/1028215117.db2.gz PQKHKQKZCAWREP-IBGZPJMESA-N 1 2 344.405 3.679 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000246321966 1028219037 /nfs/dbraw/zinc/21/90/37/1028219037.db2.gz IKVIQBXMYIJGTK-CQJJVWNLSA-N 1 2 337.533 3.694 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000246321966 1028219044 /nfs/dbraw/zinc/21/90/44/1028219044.db2.gz IKVIQBXMYIJGTK-CQJJVWNLSA-N 1 2 337.533 3.694 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090943756 1028221523 /nfs/dbraw/zinc/22/15/23/1028221523.db2.gz PMCKATDKWMGBCI-AWEZNQCLSA-N 1 2 325.387 3.871 20 0 EHADLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000115032229 1028221792 /nfs/dbraw/zinc/22/17/92/1028221792.db2.gz XXLFZLDQFRFTEL-UHFFFAOYSA-N 1 2 339.464 3.587 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739659 1028222231 /nfs/dbraw/zinc/22/22/31/1028222231.db2.gz VGLFQCDMPWUZJO-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739659 1028222246 /nfs/dbraw/zinc/22/22/46/1028222246.db2.gz VGLFQCDMPWUZJO-GWCFXTLKSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)COc2cccc(F)c2)c(C)[nH+]1 ZINC000455460115 1028222952 /nfs/dbraw/zinc/22/29/52/1028222952.db2.gz AIYSWXVHDIHKBJ-ZDUSSCGKSA-N 1 2 331.391 3.735 20 0 EHADLO CC[C@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000042597111 1028224039 /nfs/dbraw/zinc/22/40/39/1028224039.db2.gz VOZNHOZEAXXEGS-HNNXBMFYSA-N 1 2 331.485 3.525 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c(C)[nH+]1 ZINC000455493697 1028225847 /nfs/dbraw/zinc/22/58/47/1028225847.db2.gz MHUMSKZMJWLRFY-OZAJXLCCSA-N 1 2 345.468 3.627 20 0 EHADLO CCC1CCC(N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000548778925 1028231427 /nfs/dbraw/zinc/23/14/27/1028231427.db2.gz BKEWMBMTINEWIA-UHFFFAOYSA-N 1 2 341.459 3.759 20 0 EHADLO CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054440899 1028234991 /nfs/dbraw/zinc/23/49/91/1028234991.db2.gz JBIHMENAYLVIBT-QGZVFWFLSA-N 1 2 338.798 3.722 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000136162625 1028237677 /nfs/dbraw/zinc/23/76/77/1028237677.db2.gz GRDHZXBUISISHD-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000136162625 1028237699 /nfs/dbraw/zinc/23/76/99/1028237699.db2.gz GRDHZXBUISISHD-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3C)CC2)c(C)[nH+]1 ZINC000455482761 1028248790 /nfs/dbraw/zinc/24/87/90/1028248790.db2.gz PNWVBJFPEJKAGA-UHFFFAOYSA-N 1 2 338.455 3.669 20 0 EHADLO COc1cccc(C2CC[NH+](Cc3nn(C)c(C)c3Cl)CC2)c1 ZINC000421318331 1028256461 /nfs/dbraw/zinc/25/64/61/1028256461.db2.gz DSSQTSJUXSTYAJ-UHFFFAOYSA-N 1 2 333.863 3.770 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC(C)(C)Oc2ccccc2)c(C)[nH+]1 ZINC000455490689 1028258983 /nfs/dbraw/zinc/25/89/83/1028258983.db2.gz XBPLJVPDYVLIEV-UHFFFAOYSA-N 1 2 327.428 3.986 20 0 EHADLO COc1ccc2c(c1)CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC000455516570 1028266914 /nfs/dbraw/zinc/26/69/14/1028266914.db2.gz KSMQUUYYDSCNDH-UHFFFAOYSA-N 1 2 339.439 3.648 20 0 EHADLO NC(=O)[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000056184991 1028313121 /nfs/dbraw/zinc/31/31/21/1028313121.db2.gz MULSPRFTSHRUAG-OAQYLSRUSA-N 1 2 346.430 3.582 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H]3CCCc4ccccc43)ccc2[nH+]1 ZINC000523422518 1028321598 /nfs/dbraw/zinc/32/15/98/1028321598.db2.gz PXKDRHIZUHFOCI-MRXNPFEDSA-N 1 2 334.423 3.884 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)on1 ZINC000566416285 1028325580 /nfs/dbraw/zinc/32/55/80/1028325580.db2.gz KSJUFQLNVUSHSY-UHFFFAOYSA-N 1 2 336.794 3.991 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]C(C)(C)c3cn(C(C)C)nn3)s2)o1 ZINC000421396431 1028374962 /nfs/dbraw/zinc/37/49/62/1028374962.db2.gz BMMMOEYFLWAWRM-UHFFFAOYSA-N 1 2 345.472 3.909 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000058482664 1028386005 /nfs/dbraw/zinc/38/60/05/1028386005.db2.gz UEOKLXVQWOJPMI-RTBURBONSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153624555 1028394477 /nfs/dbraw/zinc/39/44/77/1028394477.db2.gz FZUJUEUTWUXXMM-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000421434971 1028418837 /nfs/dbraw/zinc/41/88/37/1028418837.db2.gz OVNUHDVCYYJWMB-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)CCCOc2ccccc2C)c[nH+]1 ZINC000455555101 1028441523 /nfs/dbraw/zinc/44/15/23/1028441523.db2.gz JCJUFMPKBWLREI-UHFFFAOYSA-N 1 2 341.455 3.617 20 0 EHADLO CO[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(Cl)c1 ZINC000455561579 1028461035 /nfs/dbraw/zinc/46/10/35/1028461035.db2.gz QTXJEEDMTMWDJB-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCC ZINC000193994938 1028480992 /nfs/dbraw/zinc/48/09/92/1028480992.db2.gz LSUMHXCPMGBYPW-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCC ZINC000193994938 1028481001 /nfs/dbraw/zinc/48/10/01/1028481001.db2.gz LSUMHXCPMGBYPW-INIZCTEOSA-N 1 2 329.444 3.587 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475620909 1028503387 /nfs/dbraw/zinc/50/33/87/1028503387.db2.gz FOSKGPJXIFKSCA-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475620909 1028503400 /nfs/dbraw/zinc/50/34/00/1028503400.db2.gz FOSKGPJXIFKSCA-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c[nH+]1 ZINC000455568942 1028515545 /nfs/dbraw/zinc/51/55/45/1028515545.db2.gz JUVHQTYYCXVHDS-JSGCOSHPSA-N 1 2 329.366 3.571 20 0 EHADLO O=C(NC[C@H]1CC12CC2)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583013077 1028536115 /nfs/dbraw/zinc/53/61/15/1028536115.db2.gz AOVGFSCRGIEPLY-OAHLLOKOSA-N 1 2 336.439 3.808 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c(F)c1 ZINC000472274901 1028538182 /nfs/dbraw/zinc/53/81/82/1028538182.db2.gz JUHJJJFDEYTFGO-UHFFFAOYSA-N 1 2 326.371 3.951 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c(F)c1 ZINC000472274901 1028538190 /nfs/dbraw/zinc/53/81/90/1028538190.db2.gz JUHJJJFDEYTFGO-UHFFFAOYSA-N 1 2 326.371 3.951 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475623028 1028549570 /nfs/dbraw/zinc/54/95/70/1028549570.db2.gz XFUVRZQTPXHEON-LRDDRELGSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475623028 1028549585 /nfs/dbraw/zinc/54/95/85/1028549585.db2.gz XFUVRZQTPXHEON-LRDDRELGSA-N 1 2 330.255 3.763 20 0 EHADLO CCOc1c(Cl)cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1OC ZINC000421555719 1028554994 /nfs/dbraw/zinc/55/49/94/1028554994.db2.gz ILIMERMCEYUUHA-UHFFFAOYSA-N 1 2 348.830 3.689 20 0 EHADLO CC[C@@H](CC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(OC)cc1 ZINC000421573746 1028567226 /nfs/dbraw/zinc/56/72/26/1028567226.db2.gz BXEHLMVHJMSVPU-KRWDZBQOSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)Oc2cccc(C(C)C)c2)cc(C)[nH+]1 ZINC000421581406 1028577613 /nfs/dbraw/zinc/57/76/13/1028577613.db2.gz YRANPWFZOCISJH-INIZCTEOSA-N 1 2 326.440 3.906 20 0 EHADLO CC1(C)C[C@@H](NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c2ccccc21 ZINC000423751994 1028597640 /nfs/dbraw/zinc/59/76/40/1028597640.db2.gz AMOGPVJQSFNATN-NVXWUHKLSA-N 1 2 330.378 3.503 20 0 EHADLO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC001271792794 1028625232 /nfs/dbraw/zinc/62/52/32/1028625232.db2.gz RLFJDVVYPKCPSV-YESZJQIVSA-N 1 2 346.519 3.648 20 0 EHADLO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC001271792794 1028625236 /nfs/dbraw/zinc/62/52/36/1028625236.db2.gz RLFJDVVYPKCPSV-YESZJQIVSA-N 1 2 346.519 3.648 20 0 EHADLO c1csc(-c2noc(C[NH+]3CCC(OC4CCCC4)CC3)n2)c1 ZINC000195319472 1028629577 /nfs/dbraw/zinc/62/95/77/1028629577.db2.gz FHVYLCBQGGUPPT-UHFFFAOYSA-N 1 2 333.457 3.722 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000728539627 1028665233 /nfs/dbraw/zinc/66/52/33/1028665233.db2.gz WYPYPPIFMGELKN-ATGUSINASA-N 1 2 329.831 3.804 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2OCC(C)C)c[nH+]1 ZINC000454300341 1028672771 /nfs/dbraw/zinc/67/27/71/1028672771.db2.gz YHFFCFREVFRRNX-UHFFFAOYSA-N 1 2 341.455 3.733 20 0 EHADLO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000245422186 1028708714 /nfs/dbraw/zinc/70/87/14/1028708714.db2.gz PERNBIVGLBXLGT-XPGWFJOJSA-N 1 2 333.435 3.592 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1cccnc1 ZINC000245456189 1028712171 /nfs/dbraw/zinc/71/21/71/1028712171.db2.gz ISTKBNLRXGVYKE-ZIAGYGMSSA-N 1 2 344.484 3.512 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1cccnc1 ZINC000245456189 1028712184 /nfs/dbraw/zinc/71/21/84/1028712184.db2.gz ISTKBNLRXGVYKE-ZIAGYGMSSA-N 1 2 344.484 3.512 20 0 EHADLO CC1(C)CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)c2ccccc21 ZINC000091764537 1028715470 /nfs/dbraw/zinc/71/54/70/1028715470.db2.gz YJOQMKMEYVULEL-INIZCTEOSA-N 1 2 325.456 3.635 20 0 EHADLO CC(=O)c1cccc(Br)c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001227971811 1028721386 /nfs/dbraw/zinc/72/13/86/1028721386.db2.gz VHFDEVXGAAIGJS-ZDUSSCGKSA-N 1 2 340.261 3.903 20 0 EHADLO CC(=O)c1cccc(Br)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001227971811 1028721404 /nfs/dbraw/zinc/72/14/04/1028721404.db2.gz VHFDEVXGAAIGJS-ZDUSSCGKSA-N 1 2 340.261 3.903 20 0 EHADLO CC(C)(C)c1ccc(C2(CNC(=O)Cn3cc[nH+]c3)CCCC2)cc1 ZINC000548786212 1028735178 /nfs/dbraw/zinc/73/51/78/1028735178.db2.gz DNBGMMDIUTUEAF-UHFFFAOYSA-N 1 2 339.483 3.809 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454319808 1028737817 /nfs/dbraw/zinc/73/78/17/1028737817.db2.gz BEFRBXAQEACHSZ-OAHLLOKOSA-N 1 2 328.460 3.555 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)CCc1ccco1)Cc1ccccc1Cl ZINC000583075269 1028754540 /nfs/dbraw/zinc/75/45/40/1028754540.db2.gz GWEADDKWIMSHNI-HNNXBMFYSA-N 1 2 348.874 3.892 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)CCc1ccco1)Cc1ccccc1Cl ZINC000583075269 1028754554 /nfs/dbraw/zinc/75/45/54/1028754554.db2.gz GWEADDKWIMSHNI-HNNXBMFYSA-N 1 2 348.874 3.892 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247252849 1028766019 /nfs/dbraw/zinc/76/60/19/1028766019.db2.gz XGVNRHWXMGLEBZ-KGLIPLIRSA-N 1 2 335.366 3.551 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247252849 1028766032 /nfs/dbraw/zinc/76/60/32/1028766032.db2.gz XGVNRHWXMGLEBZ-KGLIPLIRSA-N 1 2 335.366 3.551 20 0 EHADLO Cc1cc(Br)ccc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414551937 1028781113 /nfs/dbraw/zinc/78/11/13/1028781113.db2.gz QCMYEYIESKBQNI-UHFFFAOYSA-N 1 2 346.268 3.503 20 0 EHADLO Oc1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)c(Cl)c1 ZINC000445450172 1028785649 /nfs/dbraw/zinc/78/56/49/1028785649.db2.gz RLZYFNYMQOJWHQ-UHFFFAOYSA-N 1 2 338.754 3.948 20 0 EHADLO Oc1ccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000445464209 1028809473 /nfs/dbraw/zinc/80/94/73/1028809473.db2.gz SMDPGQDWJZTNTR-BAQGIRSFSA-N 1 2 348.337 3.937 20 0 EHADLO Cc1nc(-c2ccccc2)c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000532762327 1028812430 /nfs/dbraw/zinc/81/24/30/1028812430.db2.gz YAKRACSIGKDHLQ-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123121298 1028822242 /nfs/dbraw/zinc/82/22/42/1028822242.db2.gz CXXXKLRCZKGCCC-PBHICJAKSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@H]1CCN(C(=O)c2occc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123197160 1028839005 /nfs/dbraw/zinc/83/90/05/1028839005.db2.gz TXXCCOFMUZMICC-YJBOKZPZSA-N 1 2 335.407 3.866 20 0 EHADLO C[C@@H]1CCN(C(=O)c2occc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123196956 1028839691 /nfs/dbraw/zinc/83/96/91/1028839691.db2.gz TXXCCOFMUZMICC-QAPCUYQASA-N 1 2 335.407 3.866 20 0 EHADLO C[C@@H]1CCN(C(=O)c2occc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123197263 1028841396 /nfs/dbraw/zinc/84/13/96/1028841396.db2.gz TXXCCOFMUZMICC-CRAIPNDOSA-N 1 2 335.407 3.866 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](Cc1cncn1Cc1ccccc1)CC2 ZINC000502929906 1028848034 /nfs/dbraw/zinc/84/80/34/1028848034.db2.gz GKVCYQZVJCMQOX-UHFFFAOYSA-N 1 2 335.426 3.937 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](Cc1cncn1Cc1ccccc1)CC2 ZINC000502929906 1028848044 /nfs/dbraw/zinc/84/80/44/1028848044.db2.gz GKVCYQZVJCMQOX-UHFFFAOYSA-N 1 2 335.426 3.937 20 0 EHADLO Cc1cc(C(=O)N2CCCC2)ccc1NCc1c[nH+]cn1C(C)C ZINC000424177005 1028851131 /nfs/dbraw/zinc/85/11/31/1028851131.db2.gz SUEWAUSLYDOTTP-UHFFFAOYSA-N 1 2 326.444 3.621 20 0 EHADLO C[C@@H]1CCN(Cc2ncc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245566351 1028854204 /nfs/dbraw/zinc/85/42/04/1028854204.db2.gz QPJCZXBYLIDKMV-IAQYHMDHSA-N 1 2 325.243 3.668 20 0 EHADLO COCc1nc(C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)cs1 ZINC000421864682 1028860403 /nfs/dbraw/zinc/86/04/03/1028860403.db2.gz ZVJLUFMROUZHJP-KRWDZBQOSA-N 1 2 338.448 3.924 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccn(-c2ccccc2C(F)(F)F)n1 ZINC000424168773 1028867967 /nfs/dbraw/zinc/86/79/67/1028867967.db2.gz IWSYWWUZUVNHRY-UHFFFAOYSA-N 1 2 349.360 3.703 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)s1 ZINC000424195041 1028879173 /nfs/dbraw/zinc/87/91/73/1028879173.db2.gz BVKQRCRBGVQJSS-LBPRGKRZSA-N 1 2 343.452 3.879 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1conc1CC ZINC000508532704 1028881253 /nfs/dbraw/zinc/88/12/53/1028881253.db2.gz FVPZZHVODYCBEE-UHFFFAOYSA-N 1 2 335.835 3.741 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1conc1CC ZINC000508532704 1028881270 /nfs/dbraw/zinc/88/12/70/1028881270.db2.gz FVPZZHVODYCBEE-UHFFFAOYSA-N 1 2 335.835 3.741 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cnccn2)C3)cs1 ZINC000583129766 1028921632 /nfs/dbraw/zinc/92/16/32/1028921632.db2.gz PIDWDYQIUJJKSS-UHFFFAOYSA-N 1 2 328.466 3.528 20 0 EHADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cnccn2)C3)cs1 ZINC000583129766 1028921641 /nfs/dbraw/zinc/92/16/41/1028921641.db2.gz PIDWDYQIUJJKSS-UHFFFAOYSA-N 1 2 328.466 3.528 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475631838 1028943756 /nfs/dbraw/zinc/94/37/56/1028943756.db2.gz PDTBOQOJEMLGCK-GOEBONIOSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475631838 1028943763 /nfs/dbraw/zinc/94/37/63/1028943763.db2.gz PDTBOQOJEMLGCK-GOEBONIOSA-N 1 2 330.255 3.763 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532847410 1028952531 /nfs/dbraw/zinc/95/25/31/1028952531.db2.gz NSKSGANLAUNJTC-JKSUJKDBSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532847410 1028952539 /nfs/dbraw/zinc/95/25/39/1028952539.db2.gz NSKSGANLAUNJTC-JKSUJKDBSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)[nH]1 ZINC000583137160 1028953149 /nfs/dbraw/zinc/95/31/49/1028953149.db2.gz FEDNTPDKOMVFAK-CHWSQXEVSA-N 1 2 328.460 3.883 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[nH+]c12 ZINC000524203738 1028964030 /nfs/dbraw/zinc/96/40/30/1028964030.db2.gz SYMWJGOUJIVWIZ-BMGDILEWSA-N 1 2 327.472 3.762 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535940270 1028967089 /nfs/dbraw/zinc/96/70/89/1028967089.db2.gz BXQIHBOHRAPYGT-YESZJQIVSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(F)F)c(F)c2)c[nH+]1 ZINC000454487110 1028979310 /nfs/dbraw/zinc/97/93/10/1028979310.db2.gz CVCOIQAFZBIYOL-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO CCCc1cnc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000343074500 1028980265 /nfs/dbraw/zinc/98/02/65/1028980265.db2.gz WYSGZNXQMHJCPI-OAHLLOKOSA-N 1 2 340.452 3.979 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000123706713 1029002887 /nfs/dbraw/zinc/00/28/87/1029002887.db2.gz KYNJHKSMWCYLIL-HIFRSBDPSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000123706713 1029002902 /nfs/dbraw/zinc/00/29/02/1029002902.db2.gz KYNJHKSMWCYLIL-HIFRSBDPSA-N 1 2 342.386 3.698 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000524252496 1029010066 /nfs/dbraw/zinc/01/00/66/1029010066.db2.gz NPSSLFSDAFHNKE-QGZVFWFLSA-N 1 2 340.492 3.657 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000524252496 1029010083 /nfs/dbraw/zinc/01/00/83/1029010083.db2.gz NPSSLFSDAFHNKE-QGZVFWFLSA-N 1 2 340.492 3.657 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000524252501 1029010202 /nfs/dbraw/zinc/01/02/02/1029010202.db2.gz NVPCIEIHPXHOEA-LPHOPBHVSA-N 1 2 327.476 3.755 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000524252501 1029010220 /nfs/dbraw/zinc/01/02/20/1029010220.db2.gz NVPCIEIHPXHOEA-LPHOPBHVSA-N 1 2 327.476 3.755 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)CCCC2)c1ccccc1 ZINC000422047125 1029031976 /nfs/dbraw/zinc/03/19/76/1029031976.db2.gz UOJBVXSMWJTOMR-FQEVSTJZSA-N 1 2 336.435 3.837 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000076719809 1029037596 /nfs/dbraw/zinc/03/75/96/1029037596.db2.gz BOQAAWHSXDKJGO-UONOGXRCSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000076719809 1029037610 /nfs/dbraw/zinc/03/76/10/1029037610.db2.gz BOQAAWHSXDKJGO-UONOGXRCSA-N 1 2 333.432 3.759 20 0 EHADLO COc1ccc(N(CC(C)C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000422071650 1029058902 /nfs/dbraw/zinc/05/89/02/1029058902.db2.gz OHWWLXUETJZIKS-MRXNPFEDSA-N 1 2 327.428 3.527 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2cccs2)[nH]n1 ZINC000077030773 1029070724 /nfs/dbraw/zinc/07/07/24/1029070724.db2.gz LUXBWGWXBUEITA-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000532950672 1029092059 /nfs/dbraw/zinc/09/20/59/1029092059.db2.gz ZTEMIXGPQDJSJY-AWEZNQCLSA-N 1 2 349.434 3.853 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000532950672 1029092071 /nfs/dbraw/zinc/09/20/71/1029092071.db2.gz ZTEMIXGPQDJSJY-AWEZNQCLSA-N 1 2 349.434 3.853 20 0 EHADLO Cc1cc(CNC(=O)NC(C)(C)Cc2ccccc2C)cc(C)[nH+]1 ZINC000422165116 1029104832 /nfs/dbraw/zinc/10/48/32/1029104832.db2.gz ZCFCRPVGHBGXOJ-UHFFFAOYSA-N 1 2 325.456 3.827 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccc(F)cc1 ZINC000445807770 1029145528 /nfs/dbraw/zinc/14/55/28/1029145528.db2.gz MTGXFMJVGQXXKW-SFHVURJKSA-N 1 2 343.377 3.628 20 0 EHADLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000524401781 1029148936 /nfs/dbraw/zinc/14/89/36/1029148936.db2.gz FNBNUEZWEYJMPS-GFCCVEGCSA-N 1 2 340.880 3.829 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3cnn(C(C)C)c3c2)c[nH+]1 ZINC000454635859 1029151380 /nfs/dbraw/zinc/15/13/80/1029151380.db2.gz YHFNIOHIDCPIFU-UHFFFAOYSA-N 1 2 337.427 3.951 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000455578568 1029152709 /nfs/dbraw/zinc/15/27/09/1029152709.db2.gz POYLCTKWNBLQJB-INIZCTEOSA-N 1 2 341.430 3.556 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)ccc2n1 ZINC000532991613 1029171442 /nfs/dbraw/zinc/17/14/42/1029171442.db2.gz IHWIAKUVOZSAMO-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000271789267 1029172583 /nfs/dbraw/zinc/17/25/83/1029172583.db2.gz QGRUZHDISVHXSH-LBPRGKRZSA-N 1 2 325.412 3.751 20 0 EHADLO CCCC[C@H]([NH2+]Cc1nnc(OCC)s1)c1ccc(OC)cc1 ZINC000271791891 1029174769 /nfs/dbraw/zinc/17/47/69/1029174769.db2.gz HZDLQCBMOXQUSX-HNNXBMFYSA-N 1 2 335.473 3.967 20 0 EHADLO Cc1nc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc[nH+]1 ZINC000154453706 1029177099 /nfs/dbraw/zinc/17/70/99/1029177099.db2.gz ADLSWFXVQLQTKD-JTQLQIEISA-N 1 2 328.363 3.644 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271804008 1029179012 /nfs/dbraw/zinc/17/90/12/1029179012.db2.gz LIDBSSZKORYTEG-SJLPKXTDSA-N 1 2 325.456 3.775 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C12CCC2 ZINC000271877924 1029213029 /nfs/dbraw/zinc/21/30/29/1029213029.db2.gz OOFYSIJKNCKFHF-KZNAEPCWSA-N 1 2 343.446 3.586 20 0 EHADLO CC[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000124707840 1029309521 /nfs/dbraw/zinc/30/95/21/1029309521.db2.gz BIHQMGIFFZVHMQ-KRWDZBQOSA-N 1 2 329.419 3.723 20 0 EHADLO Cc1nc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cs1 ZINC000272199242 1029354506 /nfs/dbraw/zinc/35/45/06/1029354506.db2.gz BEFUJLCOXUBNJD-UPJWGTAASA-N 1 2 332.473 3.633 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475639902 1029365647 /nfs/dbraw/zinc/36/56/47/1029365647.db2.gz QTPMBVAKWHCCTH-HOCLYGCPSA-N 1 2 347.352 3.614 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475639902 1029365664 /nfs/dbraw/zinc/36/56/64/1029365664.db2.gz QTPMBVAKWHCCTH-HOCLYGCPSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(-n2cncn2)cc1 ZINC000272243305 1029377693 /nfs/dbraw/zinc/37/76/93/1029377693.db2.gz JUAHWRYXPAXDJZ-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO [NH3+][C@H](c1nc(-c2ccccc2F)no1)c1ccccc1Br ZINC001212088737 1029391257 /nfs/dbraw/zinc/39/12/57/1029391257.db2.gz CHGCVBJXOSEFDE-ZDUSSCGKSA-N 1 2 348.175 3.686 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000125063704 1029411201 /nfs/dbraw/zinc/41/12/01/1029411201.db2.gz GSRVKHZSXWGAQY-HDMKZQKVSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428578643 1029419573 /nfs/dbraw/zinc/41/95/73/1029419573.db2.gz HKOCVIXWPIURAD-HOTGVXAUSA-N 1 2 332.492 3.577 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000424891953 1029421638 /nfs/dbraw/zinc/42/16/38/1029421638.db2.gz MUQLGFCVQDQLET-CKUJCDMFSA-N 1 2 340.389 3.929 20 0 EHADLO Cn1cc(C(C)(C)[NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)cn1 ZINC000546704569 1029428829 /nfs/dbraw/zinc/42/88/29/1029428829.db2.gz CJFMUJZHQUUYLK-UHFFFAOYSA-N 1 2 330.819 3.753 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000272353838 1029429989 /nfs/dbraw/zinc/42/99/89/1029429989.db2.gz APSGCTBWXLHNSK-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000272353838 1029429998 /nfs/dbraw/zinc/42/99/98/1029429998.db2.gz APSGCTBWXLHNSK-ZDUSSCGKSA-N 1 2 341.333 3.537 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2cccc(Br)n2)n1 ZINC000272448894 1029464376 /nfs/dbraw/zinc/46/43/76/1029464376.db2.gz VMMPIXVTEPKKPC-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO C[C@@](O)(C[NH2+][C@H](CCc1ccccc1)C(F)F)c1ccsc1 ZINC000272459524 1029467869 /nfs/dbraw/zinc/46/78/69/1029467869.db2.gz GYNAWQNBKJIIQL-NVXWUHKLSA-N 1 2 325.424 3.812 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000524754495 1029470793 /nfs/dbraw/zinc/47/07/93/1029470793.db2.gz XXNGVVHILRWEMQ-SFHVURJKSA-N 1 2 346.471 3.903 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000524754495 1029470801 /nfs/dbraw/zinc/47/08/01/1029470801.db2.gz XXNGVVHILRWEMQ-SFHVURJKSA-N 1 2 346.471 3.903 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(CC(F)(F)F)C(C)C ZINC000524759422 1029491128 /nfs/dbraw/zinc/49/11/28/1029491128.db2.gz NRIBPECXJRZTJZ-ZDUSSCGKSA-N 1 2 348.434 3.857 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(CC(F)(F)F)C(C)C ZINC000524759422 1029491134 /nfs/dbraw/zinc/49/11/34/1029491134.db2.gz NRIBPECXJRZTJZ-ZDUSSCGKSA-N 1 2 348.434 3.857 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C2CC2)C2CC2)CC1 ZINC000545913373 1029514809 /nfs/dbraw/zinc/51/48/09/1029514809.db2.gz NHTLLPVVGJYOST-CQSZACIVSA-N 1 2 347.528 3.573 20 0 EHADLO Nc1ncc(C[N@H+](Cc2csc(Br)c2)C2CC2)s1 ZINC000262005330 1029551268 /nfs/dbraw/zinc/55/12/68/1029551268.db2.gz LSNWXVOQGWXVJE-UHFFFAOYSA-N 1 2 344.303 3.714 20 0 EHADLO Nc1ncc(C[N@@H+](Cc2csc(Br)c2)C2CC2)s1 ZINC000262005330 1029551278 /nfs/dbraw/zinc/55/12/78/1029551278.db2.gz LSNWXVOQGWXVJE-UHFFFAOYSA-N 1 2 344.303 3.714 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(Cl)sc3Cl)n2)C1 ZINC000272652918 1029551485 /nfs/dbraw/zinc/55/14/85/1029551485.db2.gz NFUUMHJXHFXPKR-VIFPVBQESA-N 1 2 348.255 3.887 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(Cl)sc3Cl)n2)C1 ZINC000272652918 1029551496 /nfs/dbraw/zinc/55/14/96/1029551496.db2.gz NFUUMHJXHFXPKR-VIFPVBQESA-N 1 2 348.255 3.887 20 0 EHADLO CC[C@H]1C[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272674761 1029559991 /nfs/dbraw/zinc/55/99/91/1029559991.db2.gz AKMRXVBKZNKQAX-ZFWWWQNUSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1cc(C)c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272699419 1029571101 /nfs/dbraw/zinc/57/11/01/1029571101.db2.gz VYSGUCRVKKJBIX-MRXNPFEDSA-N 1 2 339.395 3.520 20 0 EHADLO Cc1cc(C)c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272699419 1029571111 /nfs/dbraw/zinc/57/11/11/1029571111.db2.gz VYSGUCRVKKJBIX-MRXNPFEDSA-N 1 2 339.395 3.520 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(-c2ccc(C)cc2)no1 ZINC000611574720 1029581214 /nfs/dbraw/zinc/58/12/14/1029581214.db2.gz ITVGJMSZDDZLIJ-GOSISDBHSA-N 1 2 328.412 3.568 20 0 EHADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(-c2ccc(C)cc2)no1 ZINC000611574720 1029581226 /nfs/dbraw/zinc/58/12/26/1029581226.db2.gz ITVGJMSZDDZLIJ-GOSISDBHSA-N 1 2 328.412 3.568 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3CCC[C@H]3C3CC3)c(=S)o2)c1 ZINC000728562292 1029623837 /nfs/dbraw/zinc/62/38/37/1029623837.db2.gz KVIPFSLEIOZBLC-INIZCTEOSA-N 1 2 345.468 3.925 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3CCC[C@H]3C3CC3)c(=S)o2)c1 ZINC000728562292 1029623840 /nfs/dbraw/zinc/62/38/40/1029623840.db2.gz KVIPFSLEIOZBLC-INIZCTEOSA-N 1 2 345.468 3.925 20 0 EHADLO CCCOc1cc(C)ccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000446405598 1029633628 /nfs/dbraw/zinc/63/36/28/1029633628.db2.gz LXIRWBYFNQTUQY-UHFFFAOYSA-N 1 2 349.434 3.900 20 0 EHADLO Cc1cc(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)no1 ZINC000079498410 1029658619 /nfs/dbraw/zinc/65/86/19/1029658619.db2.gz WOWFFUMVASXNQX-UHFFFAOYSA-N 1 2 349.475 3.595 20 0 EHADLO CC[C@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)C(C)C ZINC000126336629 1029705601 /nfs/dbraw/zinc/70/56/01/1029705601.db2.gz MWKFATPTLQAJMA-GOSISDBHSA-N 1 2 332.488 3.838 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CCCCO3)CCO2)cc1Cl ZINC000347399921 1029729025 /nfs/dbraw/zinc/72/90/25/1029729025.db2.gz LYODTBJNVHFUBJ-WMLDXEAASA-N 1 2 327.827 3.812 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCCCO3)CCO2)cc1Cl ZINC000347399921 1029729032 /nfs/dbraw/zinc/72/90/32/1029729032.db2.gz LYODTBJNVHFUBJ-WMLDXEAASA-N 1 2 327.827 3.812 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc([C@@H]4CCC(F)(F)C4)no3)[nH]c21 ZINC000343205407 1029746291 /nfs/dbraw/zinc/74/62/91/1029746291.db2.gz JLWHHMMOKTWMMK-LLVKDONJSA-N 1 2 332.354 3.942 20 0 EHADLO C[C@@H](Cc1nc(-c2cc(F)ccc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000583384752 1029747264 /nfs/dbraw/zinc/74/72/64/1029747264.db2.gz FVERMZZEWMLEAO-VIFPVBQESA-N 1 2 340.280 3.895 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126615091 1029753664 /nfs/dbraw/zinc/75/36/64/1029753664.db2.gz CPAMHALUTSDHON-RHSMWYFYSA-N 1 2 345.874 3.924 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1C(F)(F)F ZINC001211579317 1029773317 /nfs/dbraw/zinc/77/33/17/1029773317.db2.gz AIJWUMKMSDCZSQ-JTQLQIEISA-N 1 2 347.287 3.776 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000533748302 1029778427 /nfs/dbraw/zinc/77/84/27/1029778427.db2.gz YYUGHXAARJRTRN-UHFFFAOYSA-N 1 2 327.472 3.665 20 0 EHADLO CC(C)[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000080322582 1029795773 /nfs/dbraw/zinc/79/57/73/1029795773.db2.gz KRQBLTODHNEFDA-FQEVSTJZSA-N 1 2 333.435 3.928 20 0 EHADLO CC(C)C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccs1 ZINC000533772501 1029805616 /nfs/dbraw/zinc/80/56/16/1029805616.db2.gz TZWOLLQVBDAIKM-HUUCEWRRSA-N 1 2 346.500 3.768 20 0 EHADLO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156455138 1029842925 /nfs/dbraw/zinc/84/29/25/1029842925.db2.gz ONDCMEZYEQEWEV-CQSZACIVSA-N 1 2 349.438 3.549 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000533813531 1029859801 /nfs/dbraw/zinc/85/98/01/1029859801.db2.gz OVMZRFJDHNIDLW-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC34CCCC4)n2)C1 ZINC000428686015 1029897451 /nfs/dbraw/zinc/89/74/51/1029897451.db2.gz APVXQPAZCJFUSR-HIFRSBDPSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC34CCCC4)n2)C1 ZINC000428686015 1029897471 /nfs/dbraw/zinc/89/74/71/1029897471.db2.gz APVXQPAZCJFUSR-HIFRSBDPSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C(F)(F)F ZINC000453200162 1029900528 /nfs/dbraw/zinc/90/05/28/1029900528.db2.gz LAFFGHSNYNITMR-ZWNOBZJWSA-N 1 2 331.769 3.951 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000455764299 1029905715 /nfs/dbraw/zinc/90/57/15/1029905715.db2.gz CZSWBHNUGSXSDK-CYBMUJFWSA-N 1 2 346.381 3.594 20 0 EHADLO CC[C@@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000521446011 1029963063 /nfs/dbraw/zinc/96/30/63/1029963063.db2.gz NPVYSQBRVJKXBD-KRWDZBQOSA-N 1 2 346.519 3.629 20 0 EHADLO Cc1cc(NCc2ncc(Br)cc2O)ccc1[NH+](C)C ZINC000892340680 1029968499 /nfs/dbraw/zinc/96/84/99/1029968499.db2.gz PNHUBTQZSQWRSQ-UHFFFAOYSA-N 1 2 336.233 3.536 20 0 EHADLO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)c2ccccc21 ZINC000583526808 1030035948 /nfs/dbraw/zinc/03/59/48/1030035948.db2.gz BVUHLLFVJDSWID-FQEVSTJZSA-N 1 2 349.455 3.972 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)[nH]1 ZINC000453293039 1030041711 /nfs/dbraw/zinc/04/17/11/1030041711.db2.gz PINZNLPJHORKMT-SECBINFHSA-N 1 2 341.228 3.681 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000453328738 1030060259 /nfs/dbraw/zinc/06/02/59/1030060259.db2.gz CDJBJUOGKYJEAH-UFBFGSQYSA-N 1 2 339.313 3.822 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)c1 ZINC000600628390 1030078636 /nfs/dbraw/zinc/07/86/36/1030078636.db2.gz SRBDDRARBBVHCJ-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)c1 ZINC000600628390 1030078650 /nfs/dbraw/zinc/07/86/50/1030078650.db2.gz SRBDDRARBBVHCJ-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)n1 ZINC000453315978 1030091846 /nfs/dbraw/zinc/09/18/46/1030091846.db2.gz HFRGPFGSDZNXQM-CYBMUJFWSA-N 1 2 345.752 3.749 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453342992 1030128705 /nfs/dbraw/zinc/12/87/05/1030128705.db2.gz IIWOWUPKKBHJNT-OLZOCXBDSA-N 1 2 344.850 3.549 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000453348601 1030138228 /nfs/dbraw/zinc/13/82/28/1030138228.db2.gz CXKVBEXYZLTHGD-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2ccccc2)c1C ZINC000058958372 1030143560 /nfs/dbraw/zinc/14/35/60/1030143560.db2.gz RKGONIGIUSOXHY-UHFFFAOYSA-N 1 2 326.440 3.643 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453358909 1030155516 /nfs/dbraw/zinc/15/55/16/1030155516.db2.gz QBQCMDKYIWISGT-RYUDHWBXSA-N 1 2 337.851 3.985 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)o1 ZINC000447394275 1030164871 /nfs/dbraw/zinc/16/48/71/1030164871.db2.gz PXMKHJDMWKXCJP-ZBFHGGJFSA-N 1 2 336.439 3.803 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)o1 ZINC000447394275 1030164881 /nfs/dbraw/zinc/16/48/81/1030164881.db2.gz PXMKHJDMWKXCJP-ZBFHGGJFSA-N 1 2 336.439 3.803 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000667983872 1030165073 /nfs/dbraw/zinc/16/50/73/1030165073.db2.gz CSAHUHHWDQHMNW-IBGZPJMESA-N 1 2 339.483 3.521 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000667983872 1030165076 /nfs/dbraw/zinc/16/50/76/1030165076.db2.gz CSAHUHHWDQHMNW-IBGZPJMESA-N 1 2 339.483 3.521 20 0 EHADLO Cc1ccc2cc(CN3CC[NH+](Cc4ccsc4)CC3)ccc2n1 ZINC000525864919 1030182902 /nfs/dbraw/zinc/18/29/02/1030182902.db2.gz BPZBZNKQJAYVKA-UHFFFAOYSA-N 1 2 337.492 3.923 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)c2ccco2)cc1 ZINC000453418080 1030234187 /nfs/dbraw/zinc/23/41/87/1030234187.db2.gz VCRDPSJWNZAMOM-YLJYHZDGSA-N 1 2 337.423 3.778 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000548802263 1030277128 /nfs/dbraw/zinc/27/71/28/1030277128.db2.gz OLULYVZCLMZVEY-UHFFFAOYSA-N 1 2 345.874 3.915 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)sc1C ZINC000091689401 1030287879 /nfs/dbraw/zinc/28/78/79/1030287879.db2.gz DQZCDXMCXWNXQF-CQSZACIVSA-N 1 2 333.476 3.778 20 0 EHADLO CCc1cccc2c1N(C(=O)[C@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000525998936 1030294851 /nfs/dbraw/zinc/29/48/51/1030294851.db2.gz HMOMAASJSOZPER-INIZCTEOSA-N 1 2 337.467 3.790 20 0 EHADLO CCc1cccc2c1N(C(=O)[C@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000525998936 1030294863 /nfs/dbraw/zinc/29/48/63/1030294863.db2.gz HMOMAASJSOZPER-INIZCTEOSA-N 1 2 337.467 3.790 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000121590646 1030302511 /nfs/dbraw/zinc/30/25/11/1030302511.db2.gz OQCVWXGGOIXRMU-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000121590646 1030302525 /nfs/dbraw/zinc/30/25/25/1030302525.db2.gz OQCVWXGGOIXRMU-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO CCC[N@H+](Cc1c(C)onc1CC)[C@H](C)C(=O)Nc1ccccc1 ZINC000163308918 1030320504 /nfs/dbraw/zinc/32/05/04/1030320504.db2.gz FXBDBJFTBCKOAI-CQSZACIVSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1c(C)onc1CC)[C@H](C)C(=O)Nc1ccccc1 ZINC000163308918 1030320515 /nfs/dbraw/zinc/32/05/15/1030320515.db2.gz FXBDBJFTBCKOAI-CQSZACIVSA-N 1 2 329.444 3.785 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000162909440 1030327374 /nfs/dbraw/zinc/32/73/74/1030327374.db2.gz UZRYKYDCXDHSCQ-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)c(Cl)c1 ZINC000482301686 1030327511 /nfs/dbraw/zinc/32/75/11/1030327511.db2.gz UOIURBTYEFMKHM-KRWDZBQOSA-N 1 2 345.805 3.929 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)c(Cl)c1 ZINC000482301686 1030327526 /nfs/dbraw/zinc/32/75/26/1030327526.db2.gz UOIURBTYEFMKHM-KRWDZBQOSA-N 1 2 345.805 3.929 20 0 EHADLO CCC(CC)N(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CC1 ZINC000526001119 1030339969 /nfs/dbraw/zinc/33/99/69/1030339969.db2.gz JDMNELGEZMXYAT-UHFFFAOYSA-N 1 2 335.398 3.803 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000583639712 1030342992 /nfs/dbraw/zinc/34/29/92/1030342992.db2.gz PFUVRGCSAZUSCD-HJSHSUPBSA-N 1 2 331.847 3.755 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000583639712 1030343013 /nfs/dbraw/zinc/34/30/13/1030343013.db2.gz PFUVRGCSAZUSCD-HJSHSUPBSA-N 1 2 331.847 3.755 20 0 EHADLO CC(C)(C)c1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000429722920 1030380351 /nfs/dbraw/zinc/38/03/51/1030380351.db2.gz JDVRQQFCORZAKX-UHFFFAOYSA-N 1 2 347.890 3.943 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC000092097043 1030385871 /nfs/dbraw/zinc/38/58/71/1030385871.db2.gz NCWDTMKYYZYCQN-DFBGVHRSSA-N 1 2 347.427 3.504 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC000092097043 1030385889 /nfs/dbraw/zinc/38/58/89/1030385889.db2.gz NCWDTMKYYZYCQN-DFBGVHRSSA-N 1 2 347.427 3.504 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000453609280 1030400507 /nfs/dbraw/zinc/40/05/07/1030400507.db2.gz IINNIBOOCSVALL-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000453609280 1030400513 /nfs/dbraw/zinc/40/05/13/1030400513.db2.gz IINNIBOOCSVALL-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO CC[N@H+](CC(=O)NCc1sccc1C)Cc1ccccc1Cl ZINC000532157490 1030443509 /nfs/dbraw/zinc/44/35/09/1030443509.db2.gz CRJLVNVAMRAGAQ-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1sccc1C)Cc1ccccc1Cl ZINC000532157490 1030443518 /nfs/dbraw/zinc/44/35/18/1030443518.db2.gz CRJLVNVAMRAGAQ-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccccn1 ZINC000532268010 1030515305 /nfs/dbraw/zinc/51/53/05/1030515305.db2.gz BUBQFPYLGHYBHZ-UHFFFAOYSA-N 1 2 344.365 3.820 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccccn1 ZINC000532268010 1030515314 /nfs/dbraw/zinc/51/53/14/1030515314.db2.gz BUBQFPYLGHYBHZ-UHFFFAOYSA-N 1 2 344.365 3.820 20 0 EHADLO Fc1cccc(F)c1C[N@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093103957 1030562759 /nfs/dbraw/zinc/56/27/59/1030562759.db2.gz LREVRXQBQKLTFQ-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093103957 1030562772 /nfs/dbraw/zinc/56/27/72/1030562772.db2.gz LREVRXQBQKLTFQ-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Cc1cccn2c(CN(C)Cc3nc4c(s3)CCCC4)c[nH+]c12 ZINC000093336064 1030587309 /nfs/dbraw/zinc/58/73/09/1030587309.db2.gz WHNYGCFQKOINCZ-UHFFFAOYSA-N 1 2 326.469 3.610 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1nccs1 ZINC000093399334 1030605191 /nfs/dbraw/zinc/60/51/91/1030605191.db2.gz SDISEAOTAWPEND-CYBMUJFWSA-N 1 2 341.436 3.517 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000192769190 1030608655 /nfs/dbraw/zinc/60/86/55/1030608655.db2.gz WMSPRKCFIHCGKG-UHFFFAOYSA-N 1 2 326.491 3.641 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000192769190 1030608663 /nfs/dbraw/zinc/60/86/63/1030608663.db2.gz WMSPRKCFIHCGKG-UHFFFAOYSA-N 1 2 326.491 3.641 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637363 1030642781 /nfs/dbraw/zinc/64/27/81/1030642781.db2.gz UGZGFMLFIJDPQF-FQEVSTJZSA-N 1 2 345.462 3.931 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637363 1030642784 /nfs/dbraw/zinc/64/27/84/1030642784.db2.gz UGZGFMLFIJDPQF-FQEVSTJZSA-N 1 2 345.462 3.931 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760346 1030669031 /nfs/dbraw/zinc/66/90/31/1030669031.db2.gz NEDUSHPVTYCTIX-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760346 1030669043 /nfs/dbraw/zinc/66/90/43/1030669043.db2.gz NEDUSHPVTYCTIX-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064555784 1030690619 /nfs/dbraw/zinc/69/06/19/1030690619.db2.gz FMBDYMKALGCZLU-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064555784 1030690632 /nfs/dbraw/zinc/69/06/32/1030690632.db2.gz FMBDYMKALGCZLU-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO CCCCOc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000122609112 1030695413 /nfs/dbraw/zinc/69/54/13/1030695413.db2.gz QSGPMCCMWQWFDM-UHFFFAOYSA-N 1 2 330.432 3.616 20 0 EHADLO C[C@H]([NH2+]Cc1cc2ccccc2nc1N1CCCCC1)c1nccn1C ZINC000657792993 1030743435 /nfs/dbraw/zinc/74/34/35/1030743435.db2.gz FRERPXVTGHWQAW-INIZCTEOSA-N 1 2 349.482 3.809 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)c2ccc(Cl)cc2)no1 ZINC000527232834 1030746647 /nfs/dbraw/zinc/74/66/47/1030746647.db2.gz HXQWJUCORDKKFO-DJSGYFEHSA-N 1 2 335.835 3.526 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2(c3ccccc3)CCC2)c2cn[nH]n2)cc1 ZINC000550891995 1030773816 /nfs/dbraw/zinc/77/38/16/1030773816.db2.gz WSYZHGQPLHAHQN-IBGZPJMESA-N 1 2 336.414 3.745 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2(c3ccccc3)CCC2)c2c[nH]nn2)cc1 ZINC000550891995 1030773835 /nfs/dbraw/zinc/77/38/35/1030773835.db2.gz WSYZHGQPLHAHQN-IBGZPJMESA-N 1 2 336.414 3.745 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)NCc1cccs1 ZINC000482931300 1030826041 /nfs/dbraw/zinc/82/60/41/1030826041.db2.gz SOCZVAJJKSQAEP-QGZVFWFLSA-N 1 2 332.444 3.731 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)NCc1cccs1 ZINC000482931300 1030826068 /nfs/dbraw/zinc/82/60/68/1030826068.db2.gz SOCZVAJJKSQAEP-QGZVFWFLSA-N 1 2 332.444 3.731 20 0 EHADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000668173640 1030851761 /nfs/dbraw/zinc/85/17/61/1030851761.db2.gz NFDSXVYTCVVHDA-OALUTQOASA-N 1 2 340.471 3.681 20 0 EHADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000668173640 1030851781 /nfs/dbraw/zinc/85/17/81/1030851781.db2.gz NFDSXVYTCVVHDA-OALUTQOASA-N 1 2 340.471 3.681 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171959671 1030853055 /nfs/dbraw/zinc/85/30/55/1030853055.db2.gz XVNAZYOHPOWUIW-UHFFFAOYSA-N 1 2 341.293 3.871 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc(C(=O)N4CCCC4)c3C)n2c1 ZINC000157840105 1030912837 /nfs/dbraw/zinc/91/28/37/1030912837.db2.gz MMPLFTTUCQXNPY-UHFFFAOYSA-N 1 2 348.450 3.799 20 0 EHADLO COc1cccc(CO[C@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000097293811 1030915167 /nfs/dbraw/zinc/91/51/67/1030915167.db2.gz KILSENBKIAORAJ-OAHLLOKOSA-N 1 2 328.412 3.559 20 0 EHADLO CC(C)CC1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000157864865 1030919308 /nfs/dbraw/zinc/91/93/08/1030919308.db2.gz MNEVQEKAAGJOCT-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000436086807 1030927838 /nfs/dbraw/zinc/92/78/38/1030927838.db2.gz BXWSFITWZWYSAY-LBPRGKRZSA-N 1 2 347.488 3.586 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCCc1ccccc1 ZINC000151172158 1030936181 /nfs/dbraw/zinc/93/61/81/1030936181.db2.gz BZDZCYLMUSLWJP-UWJYYQICSA-N 1 2 348.446 3.706 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000483115339 1030979108 /nfs/dbraw/zinc/97/91/08/1030979108.db2.gz XKZOETXVUGNTSD-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000483115339 1030979125 /nfs/dbraw/zinc/97/91/25/1030979125.db2.gz XKZOETXVUGNTSD-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000448359851 1030985831 /nfs/dbraw/zinc/98/58/31/1030985831.db2.gz PPAMMKYCTREYEZ-ZWNOBZJWSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000448359851 1030985837 /nfs/dbraw/zinc/98/58/37/1030985837.db2.gz PPAMMKYCTREYEZ-ZWNOBZJWSA-N 1 2 336.423 3.576 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000483147257 1031000839 /nfs/dbraw/zinc/00/08/39/1031000839.db2.gz RWKUXSTUYGXVHD-MRRJBJDNSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000483147257 1031000853 /nfs/dbraw/zinc/00/08/53/1031000853.db2.gz RWKUXSTUYGXVHD-MRRJBJDNSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372499 1031004690 /nfs/dbraw/zinc/00/46/90/1031004690.db2.gz OXBUIXSWWUSYFV-JTNHKYCSSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372499 1031004707 /nfs/dbraw/zinc/00/47/07/1031004707.db2.gz OXBUIXSWWUSYFV-JTNHKYCSSA-N 1 2 335.391 3.535 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000054731607 1031009336 /nfs/dbraw/zinc/00/93/36/1031009336.db2.gz NQZDOESZOHEHNT-AWEZNQCLSA-N 1 2 349.525 3.706 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483172512 1031020935 /nfs/dbraw/zinc/02/09/35/1031020935.db2.gz BAZCBAKMBJOLIW-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483172512 1031020944 /nfs/dbraw/zinc/02/09/44/1031020944.db2.gz BAZCBAKMBJOLIW-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@H+](CCc3cscn3)CCO2)c1 ZINC000551089963 1031033268 /nfs/dbraw/zinc/03/32/68/1031033268.db2.gz QKNMNVISLGIGIJ-OAHLLOKOSA-N 1 2 342.386 3.778 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@@H+](CCc3cscn3)CCO2)c1 ZINC000551089963 1031033282 /nfs/dbraw/zinc/03/32/82/1031033282.db2.gz QKNMNVISLGIGIJ-OAHLLOKOSA-N 1 2 342.386 3.778 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccco1 ZINC000116212426 1031045284 /nfs/dbraw/zinc/04/52/84/1031045284.db2.gz HTEMGULBRIHAFC-HKMNZKMDSA-N 1 2 333.391 3.842 20 0 EHADLO Cc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000042625084 1031050126 /nfs/dbraw/zinc/05/01/26/1031050126.db2.gz NTCPXLICYYQXRW-UHFFFAOYSA-N 1 2 344.459 3.616 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000080563651 1031058387 /nfs/dbraw/zinc/05/83/87/1031058387.db2.gz SGOMARLGUOYIGR-WMZOPIPTSA-N 1 2 326.444 3.517 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3CCCc4sccc43)ccc2[nH+]1 ZINC000343485206 1031074920 /nfs/dbraw/zinc/07/49/20/1031074920.db2.gz GRMKHPONSZMGEZ-CQSZACIVSA-N 1 2 326.425 3.903 20 0 EHADLO C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](n2cncn2)C1 ZINC000551164586 1031084942 /nfs/dbraw/zinc/08/49/42/1031084942.db2.gz NSIJIPGJMUUCAM-KBAYOESNSA-N 1 2 340.475 3.505 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(C)o2)c(F)cc1OC ZINC000527670884 1031104301 /nfs/dbraw/zinc/10/43/01/1031104301.db2.gz QYBMNPSNPXJLJN-HNNXBMFYSA-N 1 2 337.391 3.612 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1ncn(CCc2cccs2)c1=S ZINC000760539486 1031111423 /nfs/dbraw/zinc/11/14/23/1031111423.db2.gz VLYMNQPPDGQLIS-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1ncn(CCc2cccs2)c1=S ZINC000760539486 1031111431 /nfs/dbraw/zinc/11/14/31/1031111431.db2.gz VLYMNQPPDGQLIS-UHFFFAOYSA-N 1 2 336.530 3.798 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ncc(Br)cc2F)cn1 ZINC000527657741 1031120895 /nfs/dbraw/zinc/12/08/95/1031120895.db2.gz BTMAUEBVMLDIJJ-JTQLQIEISA-N 1 2 341.228 3.611 20 0 EHADLO CC1=C(C)C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000483383933 1031130360 /nfs/dbraw/zinc/13/03/60/1031130360.db2.gz TZIREUFIXGDFHZ-UHFFFAOYSA-N 1 2 327.453 3.791 20 0 EHADLO CC1=C(C)C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000483383933 1031130379 /nfs/dbraw/zinc/13/03/79/1031130379.db2.gz TZIREUFIXGDFHZ-UHFFFAOYSA-N 1 2 327.453 3.791 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247568012 1031131236 /nfs/dbraw/zinc/13/12/36/1031131236.db2.gz LEMXVFSFQGLOKQ-AYBZRNKSSA-N 1 2 340.471 3.854 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCCOc3ccccc3C)CCO2)c1 ZINC000483518898 1031206105 /nfs/dbraw/zinc/20/61/05/1031206105.db2.gz XZGSUKKXWMFQMX-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCCOc3ccccc3C)CCO2)c1 ZINC000483518898 1031206119 /nfs/dbraw/zinc/20/61/19/1031206119.db2.gz XZGSUKKXWMFQMX-OAQYLSRUSA-N 1 2 341.451 3.846 20 0 EHADLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000536169487 1031221066 /nfs/dbraw/zinc/22/10/66/1031221066.db2.gz NBHRZRATAUFAKK-UHFFFAOYSA-N 1 2 330.476 3.615 20 0 EHADLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000536169487 1031221074 /nfs/dbraw/zinc/22/10/74/1031221074.db2.gz NBHRZRATAUFAKK-UHFFFAOYSA-N 1 2 330.476 3.615 20 0 EHADLO Fc1ccc2c(c1)[C@@H](c1nc(-c3cccc(Cn4cc[nH+]c4)c3)no1)C2 ZINC000685243014 1031275905 /nfs/dbraw/zinc/27/59/05/1031275905.db2.gz FXUSTTAIJPJNSK-SFHVURJKSA-N 1 2 346.365 3.809 20 0 EHADLO Fc1ccc2c(c1)[C@H](c1nc(-c3cccc(Cn4cc[nH+]c4)c3)no1)C2 ZINC000685243013 1031276859 /nfs/dbraw/zinc/27/68/59/1031276859.db2.gz FXUSTTAIJPJNSK-GOSISDBHSA-N 1 2 346.365 3.809 20 0 EHADLO Cc1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)sc1C ZINC000685243022 1031279068 /nfs/dbraw/zinc/27/90/68/1031279068.db2.gz JDJZSGQBJVNIJL-UHFFFAOYSA-N 1 2 337.408 3.722 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000158359805 1031279801 /nfs/dbraw/zinc/27/98/01/1031279801.db2.gz ZMFLAFZWVJUXMK-LBPRGKRZSA-N 1 2 346.381 3.903 20 0 EHADLO CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC(F)(F)CC1 ZINC000527825632 1031290248 /nfs/dbraw/zinc/29/02/48/1031290248.db2.gz XPFAIUXPKPZHLF-UHFFFAOYSA-N 1 2 347.409 3.763 20 0 EHADLO c1ccc2c(c1)cc[nH+]c2N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000527833629 1031300334 /nfs/dbraw/zinc/30/03/34/1031300334.db2.gz DIWRAKQQISUEPK-QGZVFWFLSA-N 1 2 347.466 3.937 20 0 EHADLO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865466 1031359696 /nfs/dbraw/zinc/35/96/96/1031359696.db2.gz VJRHGKMDCGEWEI-HUUCEWRRSA-N 1 2 347.484 3.877 20 0 EHADLO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865466 1031359711 /nfs/dbraw/zinc/35/97/11/1031359711.db2.gz VJRHGKMDCGEWEI-HUUCEWRRSA-N 1 2 347.484 3.877 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175938468 1031369309 /nfs/dbraw/zinc/36/93/09/1031369309.db2.gz QHJLCTWHGJPBOY-HWKANZROSA-N 1 2 349.409 3.790 20 0 EHADLO CCn1ncc(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000527922065 1031411950 /nfs/dbraw/zinc/41/19/50/1031411950.db2.gz SZAFMYLLGWTLIR-QGZVFWFLSA-N 1 2 326.444 3.614 20 0 EHADLO CC1(C)C[C@]1(C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000668298351 1031424195 /nfs/dbraw/zinc/42/41/95/1031424195.db2.gz WEINDACYPYIDJR-OAQYLSRUSA-N 1 2 337.467 3.758 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000483996841 1031427203 /nfs/dbraw/zinc/42/72/03/1031427203.db2.gz WPQOXMXEBUMDPA-UHFFFAOYSA-N 1 2 326.465 3.714 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000483996841 1031427212 /nfs/dbraw/zinc/42/72/12/1031427212.db2.gz WPQOXMXEBUMDPA-UHFFFAOYSA-N 1 2 326.465 3.714 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C(C)C)n1 ZINC000448661570 1031429306 /nfs/dbraw/zinc/42/93/06/1031429306.db2.gz SVWOIMDLZLGDAQ-UHFFFAOYSA-N 1 2 348.450 3.688 20 0 EHADLO COc1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000176691055 1031475193 /nfs/dbraw/zinc/47/51/93/1031475193.db2.gz ZANRLTNWTZFURR-UHFFFAOYSA-N 1 2 333.800 3.848 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cccc(N2CCOC2=O)c1 ZINC000278582252 1031497876 /nfs/dbraw/zinc/49/78/76/1031497876.db2.gz KFOVKPYTXLCDFN-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCSC(C)(C)C1 ZINC000083417650 1031498937 /nfs/dbraw/zinc/49/89/37/1031498937.db2.gz NEUMAHUNOSZLJI-SNVBAGLBSA-N 1 2 330.856 3.634 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCSC(C)(C)C1 ZINC000083417650 1031498957 /nfs/dbraw/zinc/49/89/57/1031498957.db2.gz NEUMAHUNOSZLJI-SNVBAGLBSA-N 1 2 330.856 3.634 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000347424018 1031511639 /nfs/dbraw/zinc/51/16/39/1031511639.db2.gz GUAYBCHGDBCVMC-GFCCVEGCSA-N 1 2 343.814 3.840 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2C1 ZINC000347423985 1031511823 /nfs/dbraw/zinc/51/18/23/1031511823.db2.gz GPRUQUYISQTIGL-KBPBESRZSA-N 1 2 343.496 3.626 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1nccn1C ZINC000527989371 1031548771 /nfs/dbraw/zinc/54/87/71/1031548771.db2.gz ZOLLRFBBBPMZMM-LLVKDONJSA-N 1 2 344.203 3.702 20 0 EHADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000477441392 1031549921 /nfs/dbraw/zinc/54/99/21/1031549921.db2.gz VDARVVAZRKLJKZ-HRAATJIYSA-N 1 2 345.446 3.985 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484356294 1031556242 /nfs/dbraw/zinc/55/62/42/1031556242.db2.gz MSUDKXCYIAAHOS-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484356294 1031556254 /nfs/dbraw/zinc/55/62/54/1031556254.db2.gz MSUDKXCYIAAHOS-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC=C(c3ccncc3)C2)c1 ZINC000343595047 1031559181 /nfs/dbraw/zinc/55/91/81/1031559181.db2.gz RAOMUYDVOMRUPS-UHFFFAOYSA-N 1 2 344.418 3.505 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000477439752 1031565225 /nfs/dbraw/zinc/56/52/25/1031565225.db2.gz OUZBEWRGTDPDJX-LJQANCHMSA-N 1 2 347.418 3.938 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000477439752 1031565239 /nfs/dbraw/zinc/56/52/39/1031565239.db2.gz OUZBEWRGTDPDJX-LJQANCHMSA-N 1 2 347.418 3.938 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)c2ccsc2)c2nccn2C)cc1 ZINC000177811841 1031572166 /nfs/dbraw/zinc/57/21/66/1031572166.db2.gz RTBPRGFIROPZKV-DYVFJYSZSA-N 1 2 327.453 3.930 20 0 EHADLO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1nnc2n1CCCC2 ZINC000178076162 1031620352 /nfs/dbraw/zinc/62/03/52/1031620352.db2.gz QIWAIPSUFOEJTK-FZMZJTMJSA-N 1 2 332.448 3.641 20 0 EHADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000084515077 1031644083 /nfs/dbraw/zinc/64/40/83/1031644083.db2.gz ONUXSKLHRADTOZ-KRWDZBQOSA-N 1 2 345.446 3.687 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(-c2nccs2)cc1 ZINC000178162514 1031663355 /nfs/dbraw/zinc/66/33/55/1031663355.db2.gz ZJBVEKJAAGEKAB-UHFFFAOYSA-N 1 2 349.419 3.780 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667017633 1031694829 /nfs/dbraw/zinc/69/48/29/1031694829.db2.gz XPZIPBGRXCWFMV-CYBMUJFWSA-N 1 2 333.457 3.539 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccccc1N1CCOCC1 ZINC000158918944 1031736281 /nfs/dbraw/zinc/73/62/81/1031736281.db2.gz CNXDLTJCEKHUAQ-UHFFFAOYSA-N 1 2 336.439 3.505 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000477633400 1031750923 /nfs/dbraw/zinc/75/09/23/1031750923.db2.gz HVHDUCJRSKYZNL-CQSZACIVSA-N 1 2 341.386 3.948 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000477633400 1031750938 /nfs/dbraw/zinc/75/09/38/1031750938.db2.gz HVHDUCJRSKYZNL-CQSZACIVSA-N 1 2 341.386 3.948 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@H+](C)Cc1cc(Br)cs1 ZINC000168800235 1031767234 /nfs/dbraw/zinc/76/72/34/1031767234.db2.gz NBXJYOKSMWQPKY-LBPRGKRZSA-N 1 2 334.279 3.674 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(Br)cs1 ZINC000168800235 1031767254 /nfs/dbraw/zinc/76/72/54/1031767254.db2.gz NBXJYOKSMWQPKY-LBPRGKRZSA-N 1 2 334.279 3.674 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1C1CC1 ZINC000528136466 1031761762 /nfs/dbraw/zinc/76/17/62/1031761762.db2.gz BIQXZUMUVFELMM-GUYJKWIASA-N 1 2 333.501 3.606 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1C1CC1 ZINC000528136466 1031761776 /nfs/dbraw/zinc/76/17/76/1031761776.db2.gz BIQXZUMUVFELMM-GUYJKWIASA-N 1 2 333.501 3.606 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000528138034 1031762176 /nfs/dbraw/zinc/76/21/76/1031762176.db2.gz GUITUWFYFMLQIL-DZGCQCFKSA-N 1 2 339.505 3.519 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000528138034 1031762181 /nfs/dbraw/zinc/76/21/81/1031762181.db2.gz GUITUWFYFMLQIL-DZGCQCFKSA-N 1 2 339.505 3.519 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000528140714 1031768237 /nfs/dbraw/zinc/76/82/37/1031768237.db2.gz QZUGSIQNBPTLIJ-HNNXBMFYSA-N 1 2 339.505 3.519 20 0 EHADLO CCOc1ccc(OC)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117652080 1031787113 /nfs/dbraw/zinc/78/71/13/1031787113.db2.gz YUVGVVCZDCFWCO-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCCc4occc4C3)c(C(C)C)nc2s1 ZINC000584140389 1031791361 /nfs/dbraw/zinc/79/13/61/1031791361.db2.gz GMZPWAMGNSRYKQ-UHFFFAOYSA-N 1 2 330.457 3.764 20 0 EHADLO Cc1nn2c(C[N@H+]3CCCc4occc4C3)c(C(C)C)nc2s1 ZINC000584140389 1031791373 /nfs/dbraw/zinc/79/13/73/1031791373.db2.gz GMZPWAMGNSRYKQ-UHFFFAOYSA-N 1 2 330.457 3.764 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(/C=C/c2cnc(C(C)(C)C)s2)n1 ZINC000904260938 1031903679 /nfs/dbraw/zinc/90/36/79/1031903679.db2.gz UZZLYLPTCUTRFQ-VMPITWQZSA-N 1 2 341.440 3.947 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)CCc2cccc(F)c2)n1 ZINC000904261263 1031903843 /nfs/dbraw/zinc/90/38/43/1031903843.db2.gz ZNXMTBRBLFMGMB-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO Clc1cc2c(cc1C[N@H+](Cc1ccncc1)C1CC1)OCCO2 ZINC000343682980 1031928052 /nfs/dbraw/zinc/92/80/52/1031928052.db2.gz DAEYHCAMWICOBC-UHFFFAOYSA-N 1 2 330.815 3.671 20 0 EHADLO Clc1cc2c(cc1C[N@@H+](Cc1ccncc1)C1CC1)OCCO2 ZINC000343682980 1031928064 /nfs/dbraw/zinc/92/80/64/1031928064.db2.gz DAEYHCAMWICOBC-UHFFFAOYSA-N 1 2 330.815 3.671 20 0 EHADLO O=C(NCC[C@@H]1CC=CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528230490 1031935215 /nfs/dbraw/zinc/93/52/15/1031935215.db2.gz IDFQWWFMKUBEMH-GOSISDBHSA-N 1 2 344.503 3.831 20 0 EHADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000477766025 1031942547 /nfs/dbraw/zinc/94/25/47/1031942547.db2.gz RZRUFYSCVPPNOL-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000477766025 1031942557 /nfs/dbraw/zinc/94/25/57/1031942557.db2.gz RZRUFYSCVPPNOL-IAQYHMDHSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000477766026 1031943084 /nfs/dbraw/zinc/94/30/84/1031943084.db2.gz RZRUFYSCVPPNOL-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000477766026 1031943090 /nfs/dbraw/zinc/94/30/90/1031943090.db2.gz RZRUFYSCVPPNOL-XHDPSFHLSA-N 1 2 346.254 3.566 20 0 EHADLO CCO[C@@H](C)c1nc(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cs1 ZINC000343687627 1031951170 /nfs/dbraw/zinc/95/11/70/1031951170.db2.gz KMAASJKBVDRAAF-JTQLQIEISA-N 1 2 344.440 3.607 20 0 EHADLO CC[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C1CCC(C)CC1 ZINC000347492447 1031997295 /nfs/dbraw/zinc/99/72/95/1031997295.db2.gz VLKIDZABRPNFBH-FOIPXRHGSA-N 1 2 331.504 3.979 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000181664478 1032018627 /nfs/dbraw/zinc/01/86/27/1032018627.db2.gz IROPGLZKTSQLGP-QGZVFWFLSA-N 1 2 326.371 3.958 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449016271 1032028968 /nfs/dbraw/zinc/02/89/68/1032028968.db2.gz GWEDDIKUGBKGEO-JXFKEZNVSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449016271 1032028984 /nfs/dbraw/zinc/02/89/84/1032028984.db2.gz GWEDDIKUGBKGEO-JXFKEZNVSA-N 1 2 325.456 3.960 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C(C)C)c1 ZINC000528289305 1032043050 /nfs/dbraw/zinc/04/30/50/1032043050.db2.gz NOXPTQGOPMHAFQ-MSOLQXFVSA-N 1 2 340.471 3.625 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000449009300 1032051079 /nfs/dbraw/zinc/05/10/79/1032051079.db2.gz UTZLOJGTNOZGSI-QGZVFWFLSA-N 1 2 344.509 3.877 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000449009300 1032051098 /nfs/dbraw/zinc/05/10/98/1032051098.db2.gz UTZLOJGTNOZGSI-QGZVFWFLSA-N 1 2 344.509 3.877 20 0 EHADLO COc1cc(C)ccc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000449009542 1032054631 /nfs/dbraw/zinc/05/46/31/1032054631.db2.gz VKANPDUZTWBIQU-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO COc1cc(C)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000449009542 1032054641 /nfs/dbraw/zinc/05/46/41/1032054641.db2.gz VKANPDUZTWBIQU-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)cc1F)[C@H]1CCn2cc[nH+]c2C1 ZINC000343714422 1032056171 /nfs/dbraw/zinc/05/61/71/1032056171.db2.gz NONVSYWYXTUZDY-KRWDZBQOSA-N 1 2 349.409 3.568 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000173423229 1033296825 /nfs/dbraw/zinc/29/68/25/1033296825.db2.gz CTLWTTFVHQZMAG-QGZVFWFLSA-N 1 2 333.505 3.655 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000173423229 1033296834 /nfs/dbraw/zinc/29/68/34/1033296834.db2.gz CTLWTTFVHQZMAG-QGZVFWFLSA-N 1 2 333.505 3.655 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416341 1033307817 /nfs/dbraw/zinc/30/78/17/1033307817.db2.gz KQVYHFVTGMHPNM-MFKMUULPSA-N 1 2 347.768 3.667 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416341 1033307827 /nfs/dbraw/zinc/30/78/27/1033307827.db2.gz KQVYHFVTGMHPNM-MFKMUULPSA-N 1 2 347.768 3.667 20 0 EHADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000574634170 1033327978 /nfs/dbraw/zinc/32/79/78/1033327978.db2.gz KUYOPAOZAHJLLC-CYBMUJFWSA-N 1 2 336.842 3.688 20 0 EHADLO CCCn1ncnc1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000574634170 1033327990 /nfs/dbraw/zinc/32/79/90/1033327990.db2.gz KUYOPAOZAHJLLC-CYBMUJFWSA-N 1 2 336.842 3.688 20 0 EHADLO C[C@H](Nc1cnn(-c2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537487721 1033331771 /nfs/dbraw/zinc/33/17/71/1033331771.db2.gz YMTJERJGYYCKOH-HNNXBMFYSA-N 1 2 330.395 3.626 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccc(F)cc1F ZINC000898107293 1033332150 /nfs/dbraw/zinc/33/21/50/1033332150.db2.gz VETCPAZDRDVDNO-KVULBXGLSA-N 1 2 349.425 3.723 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)c1nnc2n1CCCCC2 ZINC000594386951 1033345431 /nfs/dbraw/zinc/34/54/31/1033345431.db2.gz VJZNENBZOYCBIZ-INIZCTEOSA-N 1 2 328.460 3.562 20 0 EHADLO Cc1ccc(C(C)(C)CN(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000607876866 1033345644 /nfs/dbraw/zinc/34/56/44/1033345644.db2.gz VETPFOVLYUPQLU-UHFFFAOYSA-N 1 2 349.478 3.930 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCCCC1 ZINC000529075102 1033346211 /nfs/dbraw/zinc/34/62/11/1033346211.db2.gz VREHHPBXWCEVHB-SFHVURJKSA-N 1 2 337.467 3.606 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000574737609 1033351198 /nfs/dbraw/zinc/35/11/98/1033351198.db2.gz FWQXHYXWGQOYGB-KRWDZBQOSA-N 1 2 326.375 3.931 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000574737609 1033351202 /nfs/dbraw/zinc/35/12/02/1033351202.db2.gz FWQXHYXWGQOYGB-KRWDZBQOSA-N 1 2 326.375 3.931 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2c(C)cc(C)nc2OC)cc1C ZINC000598648188 1033362575 /nfs/dbraw/zinc/36/25/75/1033362575.db2.gz IAHCDZUSEICRME-CQSZACIVSA-N 1 2 346.427 3.588 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2c(C)cc(C)nc2OC)cc1C ZINC000598648188 1033362582 /nfs/dbraw/zinc/36/25/82/1033362582.db2.gz IAHCDZUSEICRME-CQSZACIVSA-N 1 2 346.427 3.588 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187193 1033385031 /nfs/dbraw/zinc/38/50/31/1033385031.db2.gz DVGUJYGOLUUTPC-RBUKOAKNSA-N 1 2 329.415 3.575 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187193 1033385036 /nfs/dbraw/zinc/38/50/36/1033385036.db2.gz DVGUJYGOLUUTPC-RBUKOAKNSA-N 1 2 329.415 3.575 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@]1(C)CC=CCC1 ZINC001142542488 1033411844 /nfs/dbraw/zinc/41/18/44/1033411844.db2.gz SXIXLZYBKOIDOV-LJQANCHMSA-N 1 2 340.427 3.523 20 0 EHADLO CC(C)n1cc(C[NH2+]Cc2ccccc2SC(F)(F)F)nn1 ZINC000898278171 1033425135 /nfs/dbraw/zinc/42/51/35/1033425135.db2.gz CPPDWTBVGMTJMM-UHFFFAOYSA-N 1 2 330.379 3.761 20 0 EHADLO Cc1ccc(F)c(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000065703914 1033428385 /nfs/dbraw/zinc/42/83/85/1033428385.db2.gz XXFHVGRJBKKRLA-OAHLLOKOSA-N 1 2 334.464 3.732 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608118161 1033480283 /nfs/dbraw/zinc/48/02/83/1033480283.db2.gz YUMWMZNCMKKSRO-MRXNPFEDSA-N 1 2 340.442 3.526 20 0 EHADLO O=C(CCc1ccc(OC(F)F)cc1)Nc1cccc2[nH+]ccn21 ZINC000460334356 1033501939 /nfs/dbraw/zinc/50/19/39/1033501939.db2.gz YABIMUTYSCFJQW-UHFFFAOYSA-N 1 2 331.322 3.507 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc(-c2ccccc2)nc1 ZINC000537505570 1033514444 /nfs/dbraw/zinc/51/44/44/1033514444.db2.gz XFJOOMHMKPWFPG-UHFFFAOYSA-N 1 2 343.434 3.937 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc(C)c1OC(F)F ZINC000460342896 1033535355 /nfs/dbraw/zinc/53/53/55/1033535355.db2.gz WFHRFTOHLMJOQF-UHFFFAOYSA-N 1 2 331.322 3.805 20 0 EHADLO CCN(C(=O)CCCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000608240170 1033538220 /nfs/dbraw/zinc/53/82/20/1033538220.db2.gz UNRIAENRIIAZIJ-IBGZPJMESA-N 1 2 345.462 3.918 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000685580296 1033584822 /nfs/dbraw/zinc/58/48/22/1033584822.db2.gz JCTINWQGXHTXAH-CYBMUJFWSA-N 1 2 348.752 3.787 20 0 EHADLO CCc1noc(C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000685598185 1033605715 /nfs/dbraw/zinc/60/57/15/1033605715.db2.gz KMJTWVJFTWUMJG-GOSISDBHSA-N 1 2 337.423 3.714 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000685605457 1033616918 /nfs/dbraw/zinc/61/69/18/1033616918.db2.gz MKNGZOPHZKMHTB-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000685605457 1033616923 /nfs/dbraw/zinc/61/69/23/1033616923.db2.gz MKNGZOPHZKMHTB-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2cnc(C3CC3)o2)c1C(=O)OC ZINC000603424711 1033618501 /nfs/dbraw/zinc/61/85/01/1033618501.db2.gz XFIWTYXPHLODFL-UHFFFAOYSA-N 1 2 330.384 3.574 20 0 EHADLO CCC(CC)c1nnc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000144624767 1033629892 /nfs/dbraw/zinc/62/98/92/1033629892.db2.gz NEVVPVKSWKAOOI-CQSZACIVSA-N 1 2 332.473 3.683 20 0 EHADLO CCn1cc(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)nn1 ZINC000595066494 1033644656 /nfs/dbraw/zinc/64/46/56/1033644656.db2.gz ABTRHKVATWONEI-CQSZACIVSA-N 1 2 344.406 3.511 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(CSC)s2)c(OC)c1 ZINC000598994641 1033647956 /nfs/dbraw/zinc/64/79/56/1033647956.db2.gz DXIPWYPVNVZAGJ-NSHDSACASA-N 1 2 338.498 3.874 20 0 EHADLO CC(C)CCOc1ccccc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574881505 1033670553 /nfs/dbraw/zinc/67/05/53/1033670553.db2.gz MSGFEQYDHZFBQK-MRXNPFEDSA-N 1 2 329.444 3.576 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(C2=CCCC2)cc1 ZINC000685660869 1033703230 /nfs/dbraw/zinc/70/32/30/1033703230.db2.gz VVJICWLVWQCHLI-UHFFFAOYSA-N 1 2 332.447 4.000 20 0 EHADLO CCC(CC)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000608477015 1033705006 /nfs/dbraw/zinc/70/50/06/1033705006.db2.gz OEHLBKKAGADCEG-GOSISDBHSA-N 1 2 325.456 3.805 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+]Cc3ccoc3C)cs2)cc1 ZINC000603511850 1033718742 /nfs/dbraw/zinc/71/87/42/1033718742.db2.gz AHBYSSIEOVMFGW-UHFFFAOYSA-N 1 2 344.436 3.922 20 0 EHADLO c1cc(CC[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc2c1OCC2 ZINC000608492913 1033726935 /nfs/dbraw/zinc/72/69/35/1033726935.db2.gz KDBWPNDGIKCMHU-QGZVFWFLSA-N 1 2 339.439 3.652 20 0 EHADLO c1cc(CC[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc2c1OCC2 ZINC000608492913 1033726955 /nfs/dbraw/zinc/72/69/55/1033726955.db2.gz KDBWPNDGIKCMHU-QGZVFWFLSA-N 1 2 339.439 3.652 20 0 EHADLO O=C(CCOc1ccc(Cl)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105567 1033729168 /nfs/dbraw/zinc/72/91/68/1033729168.db2.gz GTMCZWJLGXWWKC-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329838 1033730225 /nfs/dbraw/zinc/73/02/25/1033730225.db2.gz CSHZSYQFVVHTMA-BDAKNGLRSA-N 1 2 325.425 3.663 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329838 1033730239 /nfs/dbraw/zinc/73/02/39/1033730239.db2.gz CSHZSYQFVVHTMA-BDAKNGLRSA-N 1 2 325.425 3.663 20 0 EHADLO CC(C)Cc1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000107897338 1033740822 /nfs/dbraw/zinc/74/08/22/1033740822.db2.gz WPFPVPGJTCEEKY-UHFFFAOYSA-N 1 2 349.862 3.717 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608553372 1033756489 /nfs/dbraw/zinc/75/64/89/1033756489.db2.gz CAUPBRPGEJUWLF-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)s2)c2nnc[nH]2)cc1 ZINC000550628705 1033774680 /nfs/dbraw/zinc/77/46/80/1033774680.db2.gz LUOMMCAEFVMXFN-CQSZACIVSA-N 1 2 336.823 3.580 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561229 1033793822 /nfs/dbraw/zinc/79/38/22/1033793822.db2.gz GFUXZGKLUGGRTP-LBPRGKRZSA-N 1 2 330.407 3.724 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889930 1033801073 /nfs/dbraw/zinc/80/10/73/1033801073.db2.gz ULDWLXRPCOOSCB-VERVWZFWSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889930 1033801081 /nfs/dbraw/zinc/80/10/81/1033801081.db2.gz ULDWLXRPCOOSCB-VERVWZFWSA-N 1 2 334.510 3.951 20 0 EHADLO Cc1nc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c(C)o1 ZINC000595441870 1033803928 /nfs/dbraw/zinc/80/39/28/1033803928.db2.gz ORBMXFBFAGZFIK-UAGQMJEPSA-N 1 2 334.460 3.766 20 0 EHADLO Cc1nc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c(C)o1 ZINC000595441870 1033803935 /nfs/dbraw/zinc/80/39/35/1033803935.db2.gz ORBMXFBFAGZFIK-UAGQMJEPSA-N 1 2 334.460 3.766 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151381 1033813758 /nfs/dbraw/zinc/81/37/58/1033813758.db2.gz XTULEECBICJEOG-KBXCAEBGSA-N 1 2 330.472 3.816 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151381 1033813770 /nfs/dbraw/zinc/81/37/70/1033813770.db2.gz XTULEECBICJEOG-KBXCAEBGSA-N 1 2 330.472 3.816 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(C)cccc3C2)cc1 ZINC000170922203 1033842749 /nfs/dbraw/zinc/84/27/49/1033842749.db2.gz UYANYTXDYPODAW-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000170922203 1033842755 /nfs/dbraw/zinc/84/27/55/1033842755.db2.gz UYANYTXDYPODAW-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO Cc1cc(NCCc2ccc(Br)cn2)ccc1[NH+](C)C ZINC001168310736 1033887075 /nfs/dbraw/zinc/88/70/75/1033887075.db2.gz AXYPBMWQEZIGAM-UHFFFAOYSA-N 1 2 334.261 3.873 20 0 EHADLO Cc1cn2cc(NC(=O)CSCc3ccc(F)cc3)ccc2[nH+]1 ZINC000608878997 1033929489 /nfs/dbraw/zinc/92/94/89/1033929489.db2.gz OHKOENJBSWJPDX-UHFFFAOYSA-N 1 2 329.400 3.654 20 0 EHADLO COC(=O)c1occc1C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595639677 1033931116 /nfs/dbraw/zinc/93/11/16/1033931116.db2.gz ZXIQQOLKGFGFKR-QGZVFWFLSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1occc1C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595639677 1033931122 /nfs/dbraw/zinc/93/11/22/1033931122.db2.gz ZXIQQOLKGFGFKR-QGZVFWFLSA-N 1 2 343.423 3.636 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C(C)C)ccc2OC)nc1 ZINC000599450715 1033932322 /nfs/dbraw/zinc/93/23/22/1033932322.db2.gz YEWWZJLTEGFICK-UHFFFAOYSA-N 1 2 342.439 3.632 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C(C)C)ccc2OC)nc1 ZINC000599450715 1033932334 /nfs/dbraw/zinc/93/23/34/1033932334.db2.gz YEWWZJLTEGFICK-UHFFFAOYSA-N 1 2 342.439 3.632 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Oc2cccnc2)cc1 ZINC000603809184 1033939620 /nfs/dbraw/zinc/93/96/20/1033939620.db2.gz SHAUQAOXXOEBNX-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cc(Br)ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808989 1033940915 /nfs/dbraw/zinc/94/09/15/1033940915.db2.gz UYIXWDFJVFZYFS-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC(C)n1ccc(C[C@@H](C)[NH2+]CC(F)(F)c2cccc(F)c2)n1 ZINC000658116957 1033946255 /nfs/dbraw/zinc/94/62/55/1033946255.db2.gz PGUDKSWQESPVSL-CYBMUJFWSA-N 1 2 325.378 3.916 20 0 EHADLO Cc1cccc2c1CCCN2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000603850327 1033973601 /nfs/dbraw/zinc/97/36/01/1033973601.db2.gz HUNUXBAECQUONF-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000117892124 1033987571 /nfs/dbraw/zinc/98/75/71/1033987571.db2.gz QGCRANHRWOKGMK-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000117892124 1033987584 /nfs/dbraw/zinc/98/75/84/1033987584.db2.gz QGCRANHRWOKGMK-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC000595826272 1034012975 /nfs/dbraw/zinc/01/29/75/1034012975.db2.gz LOHFUEVGKAZKHL-GDBMZVCRSA-N 1 2 346.500 3.594 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC000595826272 1034012987 /nfs/dbraw/zinc/01/29/87/1034012987.db2.gz LOHFUEVGKAZKHL-GDBMZVCRSA-N 1 2 346.500 3.594 20 0 EHADLO CC(C)CN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000074869516 1034046553 /nfs/dbraw/zinc/04/65/53/1034046553.db2.gz SXISUQYFSQXDHI-GOSISDBHSA-N 1 2 342.487 3.780 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1csc(Nc2ccccc2)n1 ZINC000612105741 1034049046 /nfs/dbraw/zinc/04/90/46/1034049046.db2.gz QMNVYUAHAQXTEM-UHFFFAOYSA-N 1 2 339.464 3.819 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1csc(Nc2ccccc2)n1 ZINC000612105741 1034049059 /nfs/dbraw/zinc/04/90/59/1034049059.db2.gz QMNVYUAHAQXTEM-UHFFFAOYSA-N 1 2 339.464 3.819 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026804 1034061877 /nfs/dbraw/zinc/06/18/77/1034061877.db2.gz XKKWTFHGVAXVHQ-NXOUGTEYSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026804 1034061890 /nfs/dbraw/zinc/06/18/90/1034061890.db2.gz XKKWTFHGVAXVHQ-NXOUGTEYSA-N 1 2 334.410 3.573 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CC(=O)c2ccccc2)c1 ZINC000118974917 1034069272 /nfs/dbraw/zinc/06/92/72/1034069272.db2.gz RALOFEMNHDGACK-MRXNPFEDSA-N 1 2 347.418 3.572 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C2CC2)cc1OCC ZINC000120703328 1034076168 /nfs/dbraw/zinc/07/61/68/1034076168.db2.gz TUNXMUDTQPVKRO-CYBMUJFWSA-N 1 2 344.459 3.570 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450305897 1034077561 /nfs/dbraw/zinc/07/75/61/1034077561.db2.gz XVJGOWOOSNMVAX-LBPRGKRZSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450305897 1034077579 /nfs/dbraw/zinc/07/75/79/1034077579.db2.gz XVJGOWOOSNMVAX-LBPRGKRZSA-N 1 2 338.377 3.900 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1F ZINC000658227194 1034084972 /nfs/dbraw/zinc/08/49/72/1034084972.db2.gz WWOLIMBUZXJHHY-JTQLQIEISA-N 1 2 326.318 3.682 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000119165280 1034091676 /nfs/dbraw/zinc/09/16/76/1034091676.db2.gz VDVRCKQDDGQBPM-MRXNPFEDSA-N 1 2 326.440 3.554 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000119165280 1034091693 /nfs/dbraw/zinc/09/16/93/1034091693.db2.gz VDVRCKQDDGQBPM-MRXNPFEDSA-N 1 2 326.440 3.554 20 0 EHADLO C[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cc2ccccc2o1 ZINC000120747710 1034093055 /nfs/dbraw/zinc/09/30/55/1034093055.db2.gz WIAXKAFDONGGSI-PBHICJAKSA-N 1 2 336.391 3.611 20 0 EHADLO FC(F)(F)c1sccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000529518310 1034102007 /nfs/dbraw/zinc/10/20/07/1034102007.db2.gz CTQXQOPVTNEIPL-UHFFFAOYSA-N 1 2 330.375 3.678 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2n1 ZINC000603976270 1034112267 /nfs/dbraw/zinc/11/22/67/1034112267.db2.gz RKYPTVRETXUHDL-INIZCTEOSA-N 1 2 335.411 3.609 20 0 EHADLO Fc1cc2[nH+]ccc(N[C@H]3CCCOC3)c2cc1Br ZINC000450318503 1034124115 /nfs/dbraw/zinc/12/41/15/1034124115.db2.gz NXPDOEBRSSAHJH-VIFPVBQESA-N 1 2 325.181 3.727 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450318881 1034126396 /nfs/dbraw/zinc/12/63/96/1034126396.db2.gz XIERWIFKNFKHEF-IAGOWNOFSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450318881 1034126402 /nfs/dbraw/zinc/12/64/02/1034126402.db2.gz XIERWIFKNFKHEF-IAGOWNOFSA-N 1 2 336.426 3.653 20 0 EHADLO O[C@@]1(C(F)(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450348036 1034157518 /nfs/dbraw/zinc/15/75/18/1034157518.db2.gz KPACICXHUSDEEI-ZDUSSCGKSA-N 1 2 334.700 3.531 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000604034502 1034163204 /nfs/dbraw/zinc/16/32/04/1034163204.db2.gz NCYYTZDNZVWJDY-KZNAEPCWSA-N 1 2 329.488 3.503 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3ccsc3C2)CCCN1c1ccccc1Cl ZINC000534126921 1034165532 /nfs/dbraw/zinc/16/55/32/1034165532.db2.gz QZKVAZJBIZEQFN-INIZCTEOSA-N 1 2 346.883 3.955 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3ccsc3C2)CCCN1c1ccccc1Cl ZINC000534126921 1034165539 /nfs/dbraw/zinc/16/55/39/1034165539.db2.gz QZKVAZJBIZEQFN-INIZCTEOSA-N 1 2 346.883 3.955 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000529563493 1034178483 /nfs/dbraw/zinc/17/84/83/1034178483.db2.gz BJSHREYJXDIFJE-SFHVURJKSA-N 1 2 339.483 3.807 20 0 EHADLO Fc1cccnc1N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000534151404 1034207863 /nfs/dbraw/zinc/20/78/63/1034207863.db2.gz XKSZQYDSOZBJLB-QGZVFWFLSA-N 1 2 331.822 3.684 20 0 EHADLO CCc1cc(OCC(=O)Nc2ccc(OC)cc2)c2ccccc2[nH+]1 ZINC000534171697 1034224541 /nfs/dbraw/zinc/22/45/41/1034224541.db2.gz OYBHPIDVNFRGKJ-UHFFFAOYSA-N 1 2 336.391 3.823 20 0 EHADLO Fc1ccc(Cl)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000119703954 1034226029 /nfs/dbraw/zinc/22/60/29/1034226029.db2.gz JTHRCWVPAVGXEI-UHFFFAOYSA-N 1 2 334.822 3.923 20 0 EHADLO CC1(C)CCC[C@H](CC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000119686796 1034226491 /nfs/dbraw/zinc/22/64/91/1034226491.db2.gz AHVUBOQVCSVIHE-MRXNPFEDSA-N 1 2 329.488 3.773 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCC[C@H](Cn4ccnn4)C3)c2cc1Cl ZINC000450401642 1034272302 /nfs/dbraw/zinc/27/23/02/1034272302.db2.gz ISUPEVVSLPVUHL-LBPRGKRZSA-N 1 2 345.809 3.535 20 0 EHADLO CC(C)[C@H](CC1CCCCC1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000604325488 1034329823 /nfs/dbraw/zinc/32/98/23/1034329823.db2.gz SFOHXDAGSATPPD-IBGZPJMESA-N 1 2 330.472 3.914 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000635891541 1034397195 /nfs/dbraw/zinc/39/71/95/1034397195.db2.gz JWOSDTWYHMFFPU-HUUCEWRRSA-N 1 2 347.821 3.654 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000635891541 1034397202 /nfs/dbraw/zinc/39/72/02/1034397202.db2.gz JWOSDTWYHMFFPU-HUUCEWRRSA-N 1 2 347.821 3.654 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@H+](Cc3cnns3)C2)cc1Cl ZINC000450481956 1034407049 /nfs/dbraw/zinc/40/70/49/1034407049.db2.gz BSRNKCQARXFWMR-NSHDSACASA-N 1 2 344.267 3.888 20 0 EHADLO Clc1ccc(O[C@H]2CCC[N@@H+](Cc3cnns3)C2)cc1Cl ZINC000450481956 1034407055 /nfs/dbraw/zinc/40/70/55/1034407055.db2.gz BSRNKCQARXFWMR-NSHDSACASA-N 1 2 344.267 3.888 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604584372 1034428931 /nfs/dbraw/zinc/42/89/31/1034428931.db2.gz QFIYQHASQZFDQW-LAUBAEHRSA-N 1 2 349.478 3.590 20 0 EHADLO O=C(C1CC1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000534335754 1034432619 /nfs/dbraw/zinc/43/26/19/1034432619.db2.gz HXZHXINASSRCCK-UHFFFAOYSA-N 1 2 336.435 3.533 20 0 EHADLO Cc1cc(N[C@@H]2C[C@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604757357 1034501041 /nfs/dbraw/zinc/50/10/41/1034501041.db2.gz BQPAITXMOZYDSG-LSDHHAIUSA-N 1 2 344.256 3.815 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450559320 1034521591 /nfs/dbraw/zinc/52/15/91/1034521591.db2.gz DDFSIYMQPMBRIL-UHFFFAOYSA-N 1 2 347.466 3.767 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450559320 1034521604 /nfs/dbraw/zinc/52/16/04/1034521604.db2.gz DDFSIYMQPMBRIL-UHFFFAOYSA-N 1 2 347.466 3.767 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)C[C@@H]3OCCc4ccccc43)o2)cc1 ZINC000548905488 1034541479 /nfs/dbraw/zinc/54/14/79/1034541479.db2.gz PHWBJABQYVULJO-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)C[C@@H]3OCCc4ccccc43)o2)cc1 ZINC000548905488 1034541490 /nfs/dbraw/zinc/54/14/90/1034541490.db2.gz PHWBJABQYVULJO-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO C[C@H]1[C@@H](CO)CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000413601283 1034571981 /nfs/dbraw/zinc/57/19/81/1034571981.db2.gz ZZKVDIXYYQTHDA-WCQYABFASA-N 1 2 335.245 3.595 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2-c2ccc(C)cc2C)c1 ZINC000534519711 1034624027 /nfs/dbraw/zinc/62/40/27/1034624027.db2.gz OTJXWCVQXDSTPJ-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000375827554 1034652976 /nfs/dbraw/zinc/65/29/76/1034652976.db2.gz ZSONGTYBZDNKAI-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000375827554 1034652982 /nfs/dbraw/zinc/65/29/82/1034652982.db2.gz ZSONGTYBZDNKAI-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000450664580 1034660939 /nfs/dbraw/zinc/66/09/39/1034660939.db2.gz UTUYHDCRAIGGRY-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO CC[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1c(C)noc1C ZINC000534568626 1034682545 /nfs/dbraw/zinc/68/25/45/1034682545.db2.gz VBHPZBDGJRFFOL-AWEZNQCLSA-N 1 2 327.388 3.520 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cc(F)ccc1F ZINC000450684930 1034684150 /nfs/dbraw/zinc/68/41/50/1034684150.db2.gz VYEGMYIAQMZCRV-CQSZACIVSA-N 1 2 333.304 3.965 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000628247520 1034699939 /nfs/dbraw/zinc/69/99/39/1034699939.db2.gz FLFQXCAAPOUTKW-VIFPVBQESA-N 1 2 325.206 3.605 20 0 EHADLO Cc1ccc(CCCCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000605392440 1034726334 /nfs/dbraw/zinc/72/63/34/1034726334.db2.gz LRBYUNDGJMGQMY-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2occc2s1 ZINC000605452815 1034741574 /nfs/dbraw/zinc/74/15/74/1034741574.db2.gz GYRGWKXNNDCDEC-UHFFFAOYSA-N 1 2 337.404 3.669 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000456836978 1034781791 /nfs/dbraw/zinc/78/17/91/1034781791.db2.gz KFKMGVQEWYSIOO-UONOGXRCSA-N 1 2 332.806 3.911 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2ccccc2C(C)(C)C)c[nH+]1 ZINC000456842383 1034790370 /nfs/dbraw/zinc/79/03/70/1034790370.db2.gz GKWJJWCRUFTIKH-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000456855240 1034811387 /nfs/dbraw/zinc/81/13/87/1034811387.db2.gz ZKXSCXVFPFXGSB-UHFFFAOYSA-N 1 2 336.357 3.966 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2ccc(C(C)C)cc2)CC1 ZINC000508836098 1034816788 /nfs/dbraw/zinc/81/67/88/1034816788.db2.gz QEGYDBJRHRZCEJ-INIZCTEOSA-N 1 2 334.529 3.596 20 0 EHADLO C[C@H](c1ccc(C[N@@H+]2CC[S@@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813888 1034824627 /nfs/dbraw/zinc/82/46/27/1034824627.db2.gz XFEWIWRAPCFREK-VERVWZFWSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@H](c1ccc(C[N@H+]2CC[S@@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813888 1034824642 /nfs/dbraw/zinc/82/46/42/1034824642.db2.gz XFEWIWRAPCFREK-VERVWZFWSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000172231082 1034865969 /nfs/dbraw/zinc/86/59/69/1034865969.db2.gz VTULCTYYPQCLCV-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO Clc1cccc(C2=CC[N@H+](Cc3cn(CC4CC4)nn3)CC2)c1 ZINC000450894801 1034924530 /nfs/dbraw/zinc/92/45/30/1034924530.db2.gz WGUABRVCCVTPHF-UHFFFAOYSA-N 1 2 328.847 3.631 20 0 EHADLO Clc1cccc(C2=CC[N@@H+](Cc3cn(CC4CC4)nn3)CC2)c1 ZINC000450894801 1034924539 /nfs/dbraw/zinc/92/45/39/1034924539.db2.gz WGUABRVCCVTPHF-UHFFFAOYSA-N 1 2 328.847 3.631 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000375921962 1034927221 /nfs/dbraw/zinc/92/72/21/1034927221.db2.gz XZEYQNIKVYYDCA-BBRMVZONSA-N 1 2 345.418 3.828 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000375921962 1034927230 /nfs/dbraw/zinc/92/72/30/1034927230.db2.gz XZEYQNIKVYYDCA-BBRMVZONSA-N 1 2 345.418 3.828 20 0 EHADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000303362325 1034927484 /nfs/dbraw/zinc/92/74/84/1034927484.db2.gz SUUADNMOSMJDEW-UHFFFAOYSA-N 1 2 346.906 3.609 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095017 1034939774 /nfs/dbraw/zinc/93/97/74/1034939774.db2.gz MMBVBWRAUYJGFJ-ZDUSSCGKSA-N 1 2 347.409 3.514 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095017 1034939777 /nfs/dbraw/zinc/93/97/77/1034939777.db2.gz MMBVBWRAUYJGFJ-ZDUSSCGKSA-N 1 2 347.409 3.514 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1 ZINC000450928609 1034953921 /nfs/dbraw/zinc/95/39/21/1034953921.db2.gz SBIMSACAIDIDFS-MGPLVRAMSA-N 1 2 336.844 3.608 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000375933396 1034957546 /nfs/dbraw/zinc/95/75/46/1034957546.db2.gz RABRHACTSLBANG-SFHVURJKSA-N 1 2 333.435 3.522 20 0 EHADLO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097145 1034958100 /nfs/dbraw/zinc/95/81/00/1034958100.db2.gz GTRXLQBTUVVSGK-CYBMUJFWSA-N 1 2 335.398 3.514 20 0 EHADLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097145 1034958112 /nfs/dbraw/zinc/95/81/12/1034958112.db2.gz GTRXLQBTUVVSGK-CYBMUJFWSA-N 1 2 335.398 3.514 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769292 1034982663 /nfs/dbraw/zinc/98/26/63/1034982663.db2.gz MZUXAUZFXFZTTR-WCQYABFASA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000279769292 1034982666 /nfs/dbraw/zinc/98/26/66/1034982666.db2.gz MZUXAUZFXFZTTR-WCQYABFASA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(Cc1ccco1)C(C)C)C2 ZINC000376054702 1035191411 /nfs/dbraw/zinc/19/14/11/1035191411.db2.gz IUCBFBCWOQXBGZ-CQSZACIVSA-N 1 2 329.444 3.668 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(Cc1ccco1)C(C)C)CC2 ZINC000376054702 1035191415 /nfs/dbraw/zinc/19/14/15/1035191415.db2.gz IUCBFBCWOQXBGZ-CQSZACIVSA-N 1 2 329.444 3.668 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376069647 1035211648 /nfs/dbraw/zinc/21/16/48/1035211648.db2.gz RASZPTJIFVZYIV-HZPDHXFCSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376069647 1035211652 /nfs/dbraw/zinc/21/16/52/1035211652.db2.gz RASZPTJIFVZYIV-HZPDHXFCSA-N 1 2 331.504 3.923 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000612823013 1035246317 /nfs/dbraw/zinc/24/63/17/1035246317.db2.gz ATODFVIPPRCIGF-LBPRGKRZSA-N 1 2 328.909 3.918 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000612823013 1035246325 /nfs/dbraw/zinc/24/63/25/1035246325.db2.gz ATODFVIPPRCIGF-LBPRGKRZSA-N 1 2 328.909 3.918 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000376100091 1035264244 /nfs/dbraw/zinc/26/42/44/1035264244.db2.gz ZHEJXKOKDCWPOE-HIFRSBDPSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000376100091 1035264246 /nfs/dbraw/zinc/26/42/46/1035264246.db2.gz ZHEJXKOKDCWPOE-HIFRSBDPSA-N 1 2 333.407 3.513 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccnc(-c3ccccc3)n2)c1C ZINC000511412879 1035364529 /nfs/dbraw/zinc/36/45/29/1035364529.db2.gz REUQZMYTBARJSQ-UHFFFAOYSA-N 1 2 334.423 3.800 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(Cc2cccs2)CCCCC1 ZINC000685854153 1035428656 /nfs/dbraw/zinc/42/86/56/1035428656.db2.gz WPWNGBWRHGAYAI-HNNXBMFYSA-N 1 2 343.496 3.569 20 0 EHADLO CCCOc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414068698 1035437486 /nfs/dbraw/zinc/43/74/86/1035437486.db2.gz IQLPDHWBDQAOII-GFCCVEGCSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]C(C)(C)c3cnn(C)c3)n2)ccc1F ZINC000545293083 1035445424 /nfs/dbraw/zinc/44/54/24/1035445424.db2.gz PIRWARJFJFKBCG-LBPRGKRZSA-N 1 2 343.406 3.504 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000177937318 1035460254 /nfs/dbraw/zinc/46/02/54/1035460254.db2.gz ZPYMDRGSFNOYKL-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000177937318 1035460256 /nfs/dbraw/zinc/46/02/56/1035460256.db2.gz ZPYMDRGSFNOYKL-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCCCn1c(SCc2ccns2)nnc1[C@@H](CC)[NH+](C)C ZINC000641404017 1035468401 /nfs/dbraw/zinc/46/84/01/1035468401.db2.gz QVDPSDLSTBNISG-CYBMUJFWSA-N 1 2 339.534 3.840 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc2[nH]ccc21 ZINC000431782729 1035480575 /nfs/dbraw/zinc/48/05/75/1035480575.db2.gz FAJBWRNZDZTGBO-UHFFFAOYSA-N 1 2 330.391 3.594 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000173558976 1035508910 /nfs/dbraw/zinc/50/89/10/1035508910.db2.gz XHUYISONYFXSGM-DOMZBBRYSA-N 1 2 337.261 3.652 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000173558976 1035508923 /nfs/dbraw/zinc/50/89/23/1035508923.db2.gz XHUYISONYFXSGM-DOMZBBRYSA-N 1 2 337.261 3.652 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000414105042 1035523172 /nfs/dbraw/zinc/52/31/72/1035523172.db2.gz ZRNQQZLOCWYINO-JTQLQIEISA-N 1 2 336.844 3.923 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(F)c2cccnc12 ZINC000463498736 1035581158 /nfs/dbraw/zinc/58/11/58/1035581158.db2.gz HNEPBDGWYVXMJG-UHFFFAOYSA-N 1 2 340.789 3.948 20 0 EHADLO O=C(N[C@@H]1CCCCC12CCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000463536012 1035620557 /nfs/dbraw/zinc/62/05/57/1035620557.db2.gz MYRSNSAZJXWUFQ-QZTJIDSGSA-N 1 2 343.471 3.747 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)s1 ZINC000249685089 1035663877 /nfs/dbraw/zinc/66/38/77/1035663877.db2.gz LQVYSRJEZJKRCK-ZIAGYGMSSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)s1 ZINC000249685089 1035663890 /nfs/dbraw/zinc/66/38/90/1035663890.db2.gz LQVYSRJEZJKRCK-ZIAGYGMSSA-N 1 2 343.496 3.640 20 0 EHADLO C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1ccn(C)n1 ZINC000414136099 1035702284 /nfs/dbraw/zinc/70/22/84/1035702284.db2.gz HQLZMCRAZRISII-TVQRCGJNSA-N 1 2 338.274 3.680 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 ZINC000187018256 1035743472 /nfs/dbraw/zinc/74/34/72/1035743472.db2.gz IPPNGGPBKPHNTC-SFHVURJKSA-N 1 2 343.858 3.589 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 ZINC000187018256 1035743483 /nfs/dbraw/zinc/74/34/83/1035743483.db2.gz IPPNGGPBKPHNTC-SFHVURJKSA-N 1 2 343.858 3.589 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000571810660 1035765666 /nfs/dbraw/zinc/76/56/66/1035765666.db2.gz MTMOZDUJLFCLRA-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000571810660 1035765685 /nfs/dbraw/zinc/76/56/85/1035765685.db2.gz MTMOZDUJLFCLRA-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2csc(-c3ccoc3)n2)c(C)[nH+]1 ZINC000187156049 1035776124 /nfs/dbraw/zinc/77/61/24/1035776124.db2.gz BIHZPLRTHOQSFF-JOCHJYFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2cccc(C)c2C)c(C)[nH+]1 ZINC000187211685 1035786640 /nfs/dbraw/zinc/78/66/40/1035786640.db2.gz RGRQWYHVRKFKMF-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(-c3ccccc3)o2)c(C)[nH+]1 ZINC000187213985 1035787077 /nfs/dbraw/zinc/78/70/77/1035787077.db2.gz RQLGDGGJUWRSKR-QHCPKHFHSA-N 1 2 326.421 3.802 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)s1 ZINC000414150656 1035788007 /nfs/dbraw/zinc/78/80/07/1035788007.db2.gz YISCRJQBRIPRFP-VIFPVBQESA-N 1 2 326.368 3.718 20 0 EHADLO Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000540908624 1035788309 /nfs/dbraw/zinc/78/83/09/1035788309.db2.gz NFUMVVKAVBZRLD-INIZCTEOSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1ccc(CSc2nnnn2-c2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187327209 1035793055 /nfs/dbraw/zinc/79/30/55/1035793055.db2.gz BBBUWAMDBOOZLI-UHFFFAOYSA-N 1 2 325.441 3.583 20 0 EHADLO CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000463755431 1035793972 /nfs/dbraw/zinc/79/39/72/1035793972.db2.gz SQBVBPROMKAREH-WMZOPIPTSA-N 1 2 348.487 3.651 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)Cc1ccoc1 ZINC000588169400 1035796819 /nfs/dbraw/zinc/79/68/19/1035796819.db2.gz YFJRBSZWHDQMNO-MRXNPFEDSA-N 1 2 340.467 3.858 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)Cc1ccoc1 ZINC000588169400 1035796841 /nfs/dbraw/zinc/79/68/41/1035796841.db2.gz YFJRBSZWHDQMNO-MRXNPFEDSA-N 1 2 340.467 3.858 20 0 EHADLO Cc1ccc(C[S@@](=O)CC(=O)Nc2ccc(C(C)C)cc2)c(C)[nH+]1 ZINC000187229366 1035798745 /nfs/dbraw/zinc/79/87/45/1035798745.db2.gz MDLFZKQRBWLHGX-XMMPIXPASA-N 1 2 344.480 3.709 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccco1 ZINC000187277531 1035801729 /nfs/dbraw/zinc/80/17/29/1035801729.db2.gz RDQVZPZIUBRNPJ-ZDUSSCGKSA-N 1 2 340.217 3.528 20 0 EHADLO CCn1c(C[NH2+][C@H](CCOC)c2ccc(C)o2)nc2ccccc21 ZINC000540916645 1035806398 /nfs/dbraw/zinc/80/63/98/1035806398.db2.gz PNPXSILZONTZOW-MRXNPFEDSA-N 1 2 327.428 3.825 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccn1 ZINC000187469988 1035828064 /nfs/dbraw/zinc/82/80/64/1035828064.db2.gz CZMDWBPACHGWNR-SNVBAGLBSA-N 1 2 331.217 3.571 20 0 EHADLO COc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000613422421 1035832671 /nfs/dbraw/zinc/83/26/71/1035832671.db2.gz AKHLWTKYOYOWJW-UHFFFAOYSA-N 1 2 341.455 3.533 20 0 EHADLO Cc1cc(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000613422525 1035836835 /nfs/dbraw/zinc/83/68/35/1035836835.db2.gz BYMMSDIKXLNVSU-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000669887381 1035856873 /nfs/dbraw/zinc/85/68/73/1035856873.db2.gz NPDONYACOPULOT-ZIAGYGMSSA-N 1 2 349.525 3.959 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1cccc(F)c1 ZINC000541027062 1035913177 /nfs/dbraw/zinc/91/31/77/1035913177.db2.gz OVXMOBBALWYWOL-KRWDZBQOSA-N 1 2 346.402 3.912 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccnn3[C@H](C)CC(C)C)[nH+]c12 ZINC000588361986 1035921628 /nfs/dbraw/zinc/92/16/28/1035921628.db2.gz ODOWMZDZLGMSAY-OAHLLOKOSA-N 1 2 339.443 3.628 20 0 EHADLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@H](C)c1cccc(OC)c1 ZINC000588671111 1035931087 /nfs/dbraw/zinc/93/10/87/1035931087.db2.gz UXYSUMGRHWCZCM-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@H](C)c1cccc(OC)c1 ZINC000588671111 1035931102 /nfs/dbraw/zinc/93/11/02/1035931102.db2.gz UXYSUMGRHWCZCM-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(Cl)cc2)on1 ZINC000613456076 1035933739 /nfs/dbraw/zinc/93/37/39/1035933739.db2.gz CDTFVKRGGYWKNG-CJNGLKHVSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(Cl)cc2)on1 ZINC000613456076 1035933751 /nfs/dbraw/zinc/93/37/51/1035933751.db2.gz CDTFVKRGGYWKNG-CJNGLKHVSA-N 1 2 347.846 3.651 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)c1c[nH]c3ncccc13)C2 ZINC000535051659 1035961478 /nfs/dbraw/zinc/96/14/78/1035961478.db2.gz YJXUJJPSFWZVBD-AWEZNQCLSA-N 1 2 349.434 3.591 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)c1c[nH]c3ncccc13)C2 ZINC000535051659 1035961491 /nfs/dbraw/zinc/96/14/91/1035961491.db2.gz YJXUJJPSFWZVBD-AWEZNQCLSA-N 1 2 349.434 3.591 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)cc1 ZINC000492556377 1035975865 /nfs/dbraw/zinc/97/58/65/1035975865.db2.gz FNKXKYZDJJEHFH-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)cc1 ZINC000492556377 1035975874 /nfs/dbraw/zinc/97/58/74/1035975874.db2.gz FNKXKYZDJJEHFH-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913946855 1035986781 /nfs/dbraw/zinc/98/67/81/1035986781.db2.gz JKPNISHBFZOQJP-OAHLLOKOSA-N 1 2 338.455 3.829 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572106429 1035997360 /nfs/dbraw/zinc/99/73/60/1035997360.db2.gz MBTSHCAIRYYGQI-SUMWQHHRSA-N 1 2 347.846 3.671 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C4CCC4)cc3)sc2C1 ZINC000189184851 1036028028 /nfs/dbraw/zinc/02/80/28/1036028028.db2.gz NRMWRCYREQIIJW-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C4CCC4)cc3)sc2C1 ZINC000189184851 1036028049 /nfs/dbraw/zinc/02/80/49/1036028049.db2.gz NRMWRCYREQIIJW-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@H](C)c1cccs1)C1CC1 ZINC000613484682 1036054799 /nfs/dbraw/zinc/05/47/99/1036054799.db2.gz ZJMLHKCYHUIHDR-CQSZACIVSA-N 1 2 344.480 3.599 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@H](C)c1cccs1)C1CC1 ZINC000613484682 1036054818 /nfs/dbraw/zinc/05/48/18/1036054818.db2.gz ZJMLHKCYHUIHDR-CQSZACIVSA-N 1 2 344.480 3.599 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1OC ZINC000892558719 1036082058 /nfs/dbraw/zinc/08/20/58/1036082058.db2.gz CTQUAVASSNVIEF-UHFFFAOYSA-N 1 2 346.374 3.859 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000457396128 1036088519 /nfs/dbraw/zinc/08/85/19/1036088519.db2.gz YSRFLSUGXLCRMD-MOPGFXCFSA-N 1 2 340.471 3.546 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000457396131 1036089245 /nfs/dbraw/zinc/08/92/45/1036089245.db2.gz YSRFLSUGXLCRMD-RTBURBONSA-N 1 2 340.471 3.546 20 0 EHADLO CCn1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000414213941 1036094909 /nfs/dbraw/zinc/09/49/09/1036094909.db2.gz VCBULPCRUNLUDL-CYBMUJFWSA-N 1 2 343.862 3.901 20 0 EHADLO Cc1ccccc1C([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1C ZINC000464097471 1036110055 /nfs/dbraw/zinc/11/00/55/1036110055.db2.gz VNQICGJWBVRKGW-UHFFFAOYSA-N 1 2 349.482 3.924 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000457478352 1036150752 /nfs/dbraw/zinc/15/07/52/1036150752.db2.gz MURQJEAAPCSUFL-UHFFFAOYSA-N 1 2 329.419 3.700 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000457482033 1036154633 /nfs/dbraw/zinc/15/46/33/1036154633.db2.gz KYQAHLDBUMUANN-LBPRGKRZSA-N 1 2 345.459 3.995 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1OC ZINC000190398755 1036207033 /nfs/dbraw/zinc/20/70/33/1036207033.db2.gz RWNZTAYJUZVYRS-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1OC ZINC000190398755 1036207050 /nfs/dbraw/zinc/20/70/50/1036207050.db2.gz RWNZTAYJUZVYRS-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414235467 1036207308 /nfs/dbraw/zinc/20/73/08/1036207308.db2.gz HARHUPQQZVOWBS-ZDUSSCGKSA-N 1 2 325.309 3.802 20 0 EHADLO Fc1cccc(CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1F ZINC000541351405 1036228141 /nfs/dbraw/zinc/22/81/41/1036228141.db2.gz VNJNXJVEDJWXQQ-VMPITWQZSA-N 1 2 342.433 3.838 20 0 EHADLO CCc1cnc(C[NH+]2CCC(Oc3ccc(OC)cc3)CC2)s1 ZINC000542464339 1036229417 /nfs/dbraw/zinc/22/94/17/1036229417.db2.gz SMCDCXDIECSISX-UHFFFAOYSA-N 1 2 332.469 3.758 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000190420395 1036239190 /nfs/dbraw/zinc/23/91/90/1036239190.db2.gz SCJYQKSVOJEXAF-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO Cc1cc(C)c(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c[nH+]1 ZINC001212155800 1036244229 /nfs/dbraw/zinc/24/42/29/1036244229.db2.gz LEJNUJWEUIBJJA-UHFFFAOYSA-N 1 2 346.496 3.719 20 0 EHADLO C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457552379 1036248371 /nfs/dbraw/zinc/24/83/71/1036248371.db2.gz HLQCCPVJXJFXRZ-UZLBHIALSA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)SCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535290359 1036290031 /nfs/dbraw/zinc/29/00/31/1036290031.db2.gz VAUVOFOQMUOOOS-UHFFFAOYSA-N 1 2 327.453 3.682 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(OC(F)F)c1 ZINC000414261794 1036322308 /nfs/dbraw/zinc/32/23/08/1036322308.db2.gz RNEAGKTWYICIHU-SECBINFHSA-N 1 2 347.287 3.948 20 0 EHADLO O=C(CC1CCCCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175333910 1036339266 /nfs/dbraw/zinc/33/92/66/1036339266.db2.gz RFQUQXPOQIOHIX-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000332863944 1036351535 /nfs/dbraw/zinc/35/15/35/1036351535.db2.gz IVZZQYSCRNGICX-JLSDUUJJSA-N 1 2 340.471 3.854 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000457650505 1036356024 /nfs/dbraw/zinc/35/60/24/1036356024.db2.gz LIYPPGJENLOTKS-SFHVURJKSA-N 1 2 339.483 3.567 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cscc1Br ZINC000405056120 1036366340 /nfs/dbraw/zinc/36/63/40/1036366340.db2.gz YGWXTYIHBMOHQV-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO Cc1cccc(/C=C\C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000492905064 1036375463 /nfs/dbraw/zinc/37/54/63/1036375463.db2.gz ZROQCAUQLAWBRS-GDWUOILNSA-N 1 2 349.478 3.947 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2csc(Br)c2)nc1 ZINC000083596391 1036380923 /nfs/dbraw/zinc/38/09/23/1036380923.db2.gz USFYCCOXUYGGDI-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2csc(Br)c2)nc1 ZINC000083596391 1036380939 /nfs/dbraw/zinc/38/09/39/1036380939.db2.gz USFYCCOXUYGGDI-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609131574 1036401984 /nfs/dbraw/zinc/40/19/84/1036401984.db2.gz SGTCFQLGQBPSRK-KRWDZBQOSA-N 1 2 329.469 3.614 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000191573961 1036414855 /nfs/dbraw/zinc/41/48/55/1036414855.db2.gz BIBYJXGIZJTVIV-ZDUSSCGKSA-N 1 2 339.443 3.916 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000191597433 1036418712 /nfs/dbraw/zinc/41/87/12/1036418712.db2.gz MYOGWVYMBHVJRW-HNAYVOBHSA-N 1 2 338.455 3.553 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000170893214 1036420259 /nfs/dbraw/zinc/42/02/59/1036420259.db2.gz RRDPADVTXSDIMJ-AWEZNQCLSA-N 1 2 345.393 3.876 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410237 1036447931 /nfs/dbraw/zinc/44/79/31/1036447931.db2.gz LEOSZFLQCLMIHX-CQSZACIVSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410237 1036447941 /nfs/dbraw/zinc/44/79/41/1036447941.db2.gz LEOSZFLQCLMIHX-CQSZACIVSA-N 1 2 338.224 3.622 20 0 EHADLO CCC1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000760741200 1036459957 /nfs/dbraw/zinc/45/99/57/1036459957.db2.gz HOSKXRYJIDVCNB-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO COc1cc(CNc2cc[nH+]cc2F)ccc1OCc1ccncc1 ZINC000192149568 1036478107 /nfs/dbraw/zinc/47/81/07/1036478107.db2.gz QHMQIBROGIVBJE-UHFFFAOYSA-N 1 2 339.370 3.815 20 0 EHADLO COc1ccc(OCc2ccccn2)c(CNc2cc[nH+]cc2F)c1 ZINC000192150271 1036478375 /nfs/dbraw/zinc/47/83/75/1036478375.db2.gz AHZQFFPVOVYKLE-UHFFFAOYSA-N 1 2 339.370 3.815 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1cc(C(N)=O)co1 ZINC000192756692 1036547441 /nfs/dbraw/zinc/54/74/41/1036547441.db2.gz IMBAVHUCWZLMMB-UHFFFAOYSA-N 1 2 338.860 3.822 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000589598566 1036564986 /nfs/dbraw/zinc/56/49/86/1036564986.db2.gz OXWMUDFIYVQYFK-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000589598566 1036565001 /nfs/dbraw/zinc/56/50/01/1036565001.db2.gz OXWMUDFIYVQYFK-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO C[C@H]([NH2+]Cc1noc(Cc2ccccc2)n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541683846 1036570567 /nfs/dbraw/zinc/57/05/67/1036570567.db2.gz BKSRPSQKCODFEQ-LRAJWGHMSA-N 1 2 349.434 3.703 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1csnn1 ZINC000414304644 1036572116 /nfs/dbraw/zinc/57/21/16/1036572116.db2.gz PBKBXTZQWLLGDF-RDDDGLTNSA-N 1 2 342.237 3.778 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000541700570 1036576305 /nfs/dbraw/zinc/57/63/05/1036576305.db2.gz SDBXAASRJKNNMT-FQEVSTJZSA-N 1 2 341.426 3.732 20 0 EHADLO O=C(CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000541700570 1036576316 /nfs/dbraw/zinc/57/63/16/1036576316.db2.gz SDBXAASRJKNNMT-FQEVSTJZSA-N 1 2 341.426 3.732 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3sccc3Cl)n2)cc1 ZINC000193085940 1036578922 /nfs/dbraw/zinc/57/89/22/1036578922.db2.gz OMUOWEFXNGKIEF-UHFFFAOYSA-N 1 2 333.844 3.886 20 0 EHADLO Cc1nc(C2([NH2+]Cc3ccc4c[nH]nc4c3)CCCCCC2)no1 ZINC000589649671 1036580079 /nfs/dbraw/zinc/58/00/79/1036580079.db2.gz KXTNXRYLHOHWDM-UHFFFAOYSA-N 1 2 325.416 3.594 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1C ZINC000541718217 1036587564 /nfs/dbraw/zinc/58/75/64/1036587564.db2.gz NOCYUMCDXSGQMC-WMLDXEAASA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1C ZINC000541718217 1036587578 /nfs/dbraw/zinc/58/75/78/1036587578.db2.gz NOCYUMCDXSGQMC-WMLDXEAASA-N 1 2 335.444 3.717 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(F)cc1 ZINC000493088046 1036660618 /nfs/dbraw/zinc/66/06/18/1036660618.db2.gz TXHCVGKTKNDZCJ-FLIBITNWSA-N 1 2 329.419 3.537 20 0 EHADLO Cc1cc(O[C@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)ncn1 ZINC001203411869 1036663870 /nfs/dbraw/zinc/66/38/70/1036663870.db2.gz AWKFNLUOKBBBJT-ZDUSSCGKSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cc(O[C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)ncn1 ZINC001203411869 1036663875 /nfs/dbraw/zinc/66/38/75/1036663875.db2.gz AWKFNLUOKBBBJT-ZDUSSCGKSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000589957862 1036679671 /nfs/dbraw/zinc/67/96/71/1036679671.db2.gz WRRCZBZCKFFOEY-GFCCVEGCSA-N 1 2 327.359 3.623 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425833 1036682155 /nfs/dbraw/zinc/68/21/55/1036682155.db2.gz JFMMXEIVHGQGGT-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425833 1036682169 /nfs/dbraw/zinc/68/21/69/1036682169.db2.gz JFMMXEIVHGQGGT-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000589940561 1036687504 /nfs/dbraw/zinc/68/75/04/1036687504.db2.gz VZNUXNPOULPFLR-INIZCTEOSA-N 1 2 342.508 3.758 20 0 EHADLO CC(C)c1cc(N[C@@H](CO)c2c(F)cccc2F)nc(C(C)C)[nH+]1 ZINC000535594465 1036697125 /nfs/dbraw/zinc/69/71/25/1036697125.db2.gz MSUPAXFILQGKRJ-HNNXBMFYSA-N 1 2 335.398 3.569 20 0 EHADLO CO[C@H](C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066473 1036711529 /nfs/dbraw/zinc/71/15/29/1036711529.db2.gz YVGXYLDHTLMSKR-RTBURBONSA-N 1 2 348.450 3.996 20 0 EHADLO CO[C@H](C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066473 1036711543 /nfs/dbraw/zinc/71/15/43/1036711543.db2.gz YVGXYLDHTLMSKR-RTBURBONSA-N 1 2 348.450 3.996 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590102518 1036753098 /nfs/dbraw/zinc/75/30/98/1036753098.db2.gz VCSJAEJJCJOFBX-MSOLQXFVSA-N 1 2 344.503 3.518 20 0 EHADLO CCOC(=O)c1csc(C[NH2+]C2(c3ccc(F)cc3)CCC2)n1 ZINC000590112450 1036759641 /nfs/dbraw/zinc/75/96/41/1036759641.db2.gz ILOCNCBTVSMKSW-UHFFFAOYSA-N 1 2 334.416 3.628 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CCS1 ZINC000464792270 1036808053 /nfs/dbraw/zinc/80/80/53/1036808053.db2.gz WPNDHIDYEPRWOG-LLVKDONJSA-N 1 2 344.274 3.505 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CCS1 ZINC000464792270 1036808029 /nfs/dbraw/zinc/80/80/29/1036808029.db2.gz WPNDHIDYEPRWOG-LLVKDONJSA-N 1 2 344.274 3.505 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000541952230 1036884734 /nfs/dbraw/zinc/88/47/34/1036884734.db2.gz LTHFARDJBFOFFQ-AWEZNQCLSA-N 1 2 330.375 3.602 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccco2)C1 ZINC000464847899 1036894412 /nfs/dbraw/zinc/89/44/12/1036894412.db2.gz HRLSZTGQTFKFGJ-BLLLJJGKSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccco2)C1 ZINC000464847899 1036894437 /nfs/dbraw/zinc/89/44/37/1036894437.db2.gz HRLSZTGQTFKFGJ-BLLLJJGKSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccsc1 ZINC000669831170 1036918821 /nfs/dbraw/zinc/91/88/21/1036918821.db2.gz USJFRDCOMHOHSR-JTQLQIEISA-N 1 2 336.823 3.972 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2cc(-c3cccs3)on2)cc1 ZINC000541983299 1036946080 /nfs/dbraw/zinc/94/60/80/1036946080.db2.gz DPHXWAAGDYITJM-INIZCTEOSA-N 1 2 328.437 3.789 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)cc2c1OCC2 ZINC000462426042 1036961977 /nfs/dbraw/zinc/96/19/77/1036961977.db2.gz GPUUFMGRJHKOHB-UHFFFAOYSA-N 1 2 339.782 3.713 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000177901903 1036963762 /nfs/dbraw/zinc/96/37/62/1036963762.db2.gz LRQHDYIAUUEWGH-UXHICEINSA-N 1 2 327.399 3.895 20 0 EHADLO COc1cccc([C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000177901903 1036963770 /nfs/dbraw/zinc/96/37/70/1036963770.db2.gz LRQHDYIAUUEWGH-UXHICEINSA-N 1 2 327.399 3.895 20 0 EHADLO O=C1Nc2cc(Br)ccc2/C1=C/c1cccc2[nH+]ccn21 ZINC000180573706 1036972867 /nfs/dbraw/zinc/97/28/67/1036972867.db2.gz QYBUFKXUNXZMLM-LCYFTJDESA-N 1 2 340.180 3.590 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000590639258 1036980815 /nfs/dbraw/zinc/98/08/15/1036980815.db2.gz GDFFYSMDFRZEQJ-CQSZACIVSA-N 1 2 336.819 3.787 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000590639258 1036980830 /nfs/dbraw/zinc/98/08/30/1036980830.db2.gz GDFFYSMDFRZEQJ-CQSZACIVSA-N 1 2 336.819 3.787 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590726259 1037004175 /nfs/dbraw/zinc/00/41/75/1037004175.db2.gz AJTKVYMUEOBPOO-SJLPKXTDSA-N 1 2 341.455 3.638 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590725868 1037004499 /nfs/dbraw/zinc/00/44/99/1037004499.db2.gz YQOIBOMUNICOKM-RTBURBONSA-N 1 2 325.456 3.877 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@@H]2CCCCS2)no1 ZINC000350445509 1037015980 /nfs/dbraw/zinc/01/59/80/1037015980.db2.gz CMYCXDSPFPAKKC-INIZCTEOSA-N 1 2 340.452 3.863 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000007224800 1037029205 /nfs/dbraw/zinc/02/92/05/1037029205.db2.gz KVHLOBIJGFHIRK-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO Cc1cc2occ(CC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000590733992 1037034431 /nfs/dbraw/zinc/03/44/31/1037034431.db2.gz KVBLOPBURMTWCX-KRWDZBQOSA-N 1 2 337.423 3.652 20 0 EHADLO O=[S@](CC[NH2+][C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104679746 1037065077 /nfs/dbraw/zinc/06/50/77/1037065077.db2.gz LBXIKNFZMDGFKZ-SBUREZEXSA-N 1 2 342.489 3.630 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@]12C[C@@H]1CCC2 ZINC000666451868 1037066582 /nfs/dbraw/zinc/06/65/82/1037066582.db2.gz QKEOQGBCSPECOA-YWZLYKJASA-N 1 2 334.423 3.666 20 0 EHADLO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000590808596 1037069859 /nfs/dbraw/zinc/06/98/59/1037069859.db2.gz DXACBICBJJVEAC-HNNXBMFYSA-N 1 2 339.361 3.516 20 0 EHADLO c1cn([C@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)c[nH+]1 ZINC000590770474 1037071309 /nfs/dbraw/zinc/07/13/09/1037071309.db2.gz RMTZQYZZZRBNCV-ZDUSSCGKSA-N 1 2 339.468 3.608 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590848176 1037082215 /nfs/dbraw/zinc/08/22/15/1037082215.db2.gz UPRHSHCRJFNDCV-MSOLQXFVSA-N 1 2 326.444 3.627 20 0 EHADLO Oc1c(Br)cc(C[NH2+][C@H]2C=CCC2)cc1Br ZINC000698299242 1037103446 /nfs/dbraw/zinc/10/34/46/1037103446.db2.gz KDFIROYREGCDDE-VIFPVBQESA-N 1 2 347.050 3.725 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001168191585 1037119392 /nfs/dbraw/zinc/11/93/92/1037119392.db2.gz HYVPIBDVKGCWDL-AWEZNQCLSA-N 1 2 345.874 3.835 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001168191585 1037119396 /nfs/dbraw/zinc/11/93/96/1037119396.db2.gz HYVPIBDVKGCWDL-AWEZNQCLSA-N 1 2 345.874 3.835 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(F)c(Cl)c1 ZINC000104973823 1037120288 /nfs/dbraw/zinc/12/02/88/1037120288.db2.gz INYCBOQRMPUWEM-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cs1 ZINC000648498730 1037148304 /nfs/dbraw/zinc/14/83/04/1037148304.db2.gz ZHRWJPYKOSEEKY-GFCCVEGCSA-N 1 2 338.498 3.521 20 0 EHADLO CC(=O)c1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1C ZINC000573017845 1037158767 /nfs/dbraw/zinc/15/87/67/1037158767.db2.gz RTFLWKLPGCDCDZ-QGZVFWFLSA-N 1 2 345.468 3.684 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000414382564 1037169227 /nfs/dbraw/zinc/16/92/27/1037169227.db2.gz PBAIURFKKGVZTE-MRXNPFEDSA-N 1 2 349.521 3.921 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000414382564 1037169236 /nfs/dbraw/zinc/16/92/36/1037169236.db2.gz PBAIURFKKGVZTE-MRXNPFEDSA-N 1 2 349.521 3.921 20 0 EHADLO O=C(OC[C@H]1CCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180779493 1037173687 /nfs/dbraw/zinc/17/36/87/1037173687.db2.gz ALHLSTZIDXUJNA-KRWDZBQOSA-N 1 2 347.418 3.556 20 0 EHADLO CC[C@@H](C)n1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000539778246 1037189809 /nfs/dbraw/zinc/18/98/09/1037189809.db2.gz YWEAHKDLRSTYED-GFCCVEGCSA-N 1 2 341.390 3.740 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)o1 ZINC000591091275 1037218414 /nfs/dbraw/zinc/21/84/14/1037218414.db2.gz VKWSOXAKTNIGRZ-RDJZCZTQSA-N 1 2 341.455 3.739 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@H](C)Cn3cc[nH+]c3)sc2c1 ZINC000591135775 1037232815 /nfs/dbraw/zinc/23/28/15/1037232815.db2.gz UZOLPEIEDKGUPD-LLVKDONJSA-N 1 2 333.844 3.878 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000104317853 1037259404 /nfs/dbraw/zinc/25/94/04/1037259404.db2.gz BUTYTGMDFGYRKZ-INIZCTEOSA-N 1 2 331.847 3.550 20 0 EHADLO COc1cc2c(cc1OC)CN(c1[nH+]ccc3cc(F)ccc31)CC2 ZINC000573115392 1037292261 /nfs/dbraw/zinc/29/22/61/1037292261.db2.gz SCVMWQMEJTWWPB-UHFFFAOYSA-N 1 2 338.382 3.954 20 0 EHADLO C[C@H]([NH2+]CCc1cccc(F)c1F)c1noc(Cc2ccccc2)n1 ZINC000544512469 1037374538 /nfs/dbraw/zinc/37/45/38/1037374538.db2.gz KXHIRXYEPFZXLJ-ZDUSSCGKSA-N 1 2 343.377 3.832 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000088549461 1037383450 /nfs/dbraw/zinc/38/34/50/1037383450.db2.gz RIXBFDVTGQZEAH-AWEZNQCLSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000088549461 1037383473 /nfs/dbraw/zinc/38/34/73/1037383473.db2.gz RIXBFDVTGQZEAH-AWEZNQCLSA-N 1 2 330.403 3.603 20 0 EHADLO CCS[C@@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301484508 1037385596 /nfs/dbraw/zinc/38/55/96/1037385596.db2.gz GPSVRQLNLIWNEN-JKSUJKDBSA-N 1 2 339.468 3.902 20 0 EHADLO c1csc(N2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)CC2)n1 ZINC000170985280 1037407670 /nfs/dbraw/zinc/40/76/70/1037407670.db2.gz MZMZDQSLJAFFGD-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO c1csc(N2CCC[N@H+](Cc3csc(-c4ccoc4)n3)CC2)n1 ZINC000170985280 1037407691 /nfs/dbraw/zinc/40/76/91/1037407691.db2.gz MZMZDQSLJAFFGD-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO C[C@]1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCCS1 ZINC000301651548 1037421863 /nfs/dbraw/zinc/42/18/63/1037421863.db2.gz SKFRFPQZVHYXCR-QGZVFWFLSA-N 1 2 325.441 3.513 20 0 EHADLO O=C(/C=C\c1ccc(C2CC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000493532317 1037428996 /nfs/dbraw/zinc/42/89/96/1037428996.db2.gz XBURXRHAXLYINT-WDZFZDKYSA-N 1 2 347.462 3.757 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000493530426 1037429876 /nfs/dbraw/zinc/42/98/76/1037429876.db2.gz VLMFYYLVCZQTOJ-SREVYHEPSA-N 1 2 336.222 3.921 20 0 EHADLO O=C(/C=C/c1cscn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000491398548 1037440144 /nfs/dbraw/zinc/44/01/44/1037440144.db2.gz BWMZDCBYTLYHLF-DUXPYHPUSA-N 1 2 330.800 3.634 20 0 EHADLO Cc1ccc(/C=C/C(=O)NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000491436938 1037461180 /nfs/dbraw/zinc/46/11/80/1037461180.db2.gz PGMSMZXSNYEOLX-BQYQJAHWSA-N 1 2 329.831 3.511 20 0 EHADLO O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491448062 1037476276 /nfs/dbraw/zinc/47/62/76/1037476276.db2.gz GREFSKYPBOCOAP-RYWCDNDXSA-N 1 2 333.794 3.622 20 0 EHADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000493593820 1037478081 /nfs/dbraw/zinc/47/80/81/1037478081.db2.gz GQIDNSCOWKAMMV-DOOKAGJSSA-N 1 2 347.422 3.567 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)c1 ZINC000532487057 1037524562 /nfs/dbraw/zinc/52/45/62/1037524562.db2.gz OAZNJYOOAHHXPU-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)c1 ZINC000532487057 1037524574 /nfs/dbraw/zinc/52/45/74/1037524574.db2.gz OAZNJYOOAHHXPU-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO Cc1csc([C@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000613545181 1037533689 /nfs/dbraw/zinc/53/36/89/1037533689.db2.gz MPQGICYHMNNBPW-UONOGXRCSA-N 1 2 349.525 3.522 20 0 EHADLO COc1cccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507589 1037592901 /nfs/dbraw/zinc/59/29/01/1037592901.db2.gz LYBSAPGNSFUSBE-RBUKOAKNSA-N 1 2 331.456 3.560 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000573507589 1037592917 /nfs/dbraw/zinc/59/29/17/1037592917.db2.gz LYBSAPGNSFUSBE-RBUKOAKNSA-N 1 2 331.456 3.560 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914308399 1037612111 /nfs/dbraw/zinc/61/21/11/1037612111.db2.gz QDYWIVZDRLWRHD-SFHVURJKSA-N 1 2 340.471 3.641 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000669937622 1037623645 /nfs/dbraw/zinc/62/36/45/1037623645.db2.gz NEBUQKBUMDXRQD-NWDGAFQWSA-N 1 2 340.456 3.671 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712736 1037641599 /nfs/dbraw/zinc/64/15/99/1037641599.db2.gz XLEOXEHMJKATCN-UHFFFAOYSA-N 1 2 339.361 3.645 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)nnn1-c1ccccc1 ZINC000540176369 1037647281 /nfs/dbraw/zinc/64/72/81/1037647281.db2.gz CWYWHSJONRUDQP-DNVCBOLYSA-N 1 2 348.450 3.977 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C)cc1C ZINC000591809022 1037649511 /nfs/dbraw/zinc/64/95/11/1037649511.db2.gz GHADCGVZKICPER-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C)cc1C ZINC000591809022 1037649521 /nfs/dbraw/zinc/64/95/21/1037649521.db2.gz GHADCGVZKICPER-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812931 1037657572 /nfs/dbraw/zinc/65/75/72/1037657572.db2.gz CRQLZBKMFUSEKI-ZBFHGGJFSA-N 1 2 329.444 3.892 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591812931 1037657578 /nfs/dbraw/zinc/65/75/78/1037657578.db2.gz CRQLZBKMFUSEKI-ZBFHGGJFSA-N 1 2 329.444 3.892 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC(=O)NCc1cccs1 ZINC000532571231 1037672270 /nfs/dbraw/zinc/67/22/70/1037672270.db2.gz CHCUBBVSNDURHQ-MRXNPFEDSA-N 1 2 338.423 3.726 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000532571231 1037672281 /nfs/dbraw/zinc/67/22/81/1037672281.db2.gz CHCUBBVSNDURHQ-MRXNPFEDSA-N 1 2 338.423 3.726 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000463032731 1037693555 /nfs/dbraw/zinc/69/35/55/1037693555.db2.gz JNUFWCAPIUBTCD-LJQANCHMSA-N 1 2 329.415 3.730 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000463032731 1037693574 /nfs/dbraw/zinc/69/35/74/1037693574.db2.gz JNUFWCAPIUBTCD-LJQANCHMSA-N 1 2 329.415 3.730 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cnc(C2CC2)s1 ZINC000573725778 1037735034 /nfs/dbraw/zinc/73/50/34/1037735034.db2.gz OKGAVOPEKDUXCL-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc(C2CC2)s1 ZINC000573725778 1037735054 /nfs/dbraw/zinc/73/50/54/1037735054.db2.gz OKGAVOPEKDUXCL-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)Oc1ccccc1Cl ZINC000463073461 1037735524 /nfs/dbraw/zinc/73/55/24/1037735524.db2.gz WJAULSVRWWRHQQ-AWEZNQCLSA-N 1 2 346.862 4.000 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)Oc1ccccc1Cl ZINC000463073461 1037735546 /nfs/dbraw/zinc/73/55/46/1037735546.db2.gz WJAULSVRWWRHQQ-AWEZNQCLSA-N 1 2 346.862 4.000 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000573814826 1037757324 /nfs/dbraw/zinc/75/73/24/1037757324.db2.gz VTLLCCLLOYHMBA-ACJLOTCBSA-N 1 2 329.419 3.775 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000573814826 1037757332 /nfs/dbraw/zinc/75/73/32/1037757332.db2.gz VTLLCCLLOYHMBA-ACJLOTCBSA-N 1 2 329.419 3.775 20 0 EHADLO CCNC(=O)C[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000172923526 1037760098 /nfs/dbraw/zinc/76/00/98/1037760098.db2.gz GPDUTNKYWVIQLL-SFHVURJKSA-N 1 2 334.822 3.603 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000112975731 1037770716 /nfs/dbraw/zinc/77/07/16/1037770716.db2.gz HZRGWZLNAALQAF-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000112975731 1037770728 /nfs/dbraw/zinc/77/07/28/1037770728.db2.gz HZRGWZLNAALQAF-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1Cl)C1CCCC1)Nc1cnccn1 ZINC000659880302 1037771244 /nfs/dbraw/zinc/77/12/44/1037771244.db2.gz LETBOLXFHYVQIR-UHFFFAOYSA-N 1 2 344.846 3.513 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1Cl)C1CCCC1)Nc1cnccn1 ZINC000659880302 1037771260 /nfs/dbraw/zinc/77/12/60/1037771260.db2.gz LETBOLXFHYVQIR-UHFFFAOYSA-N 1 2 344.846 3.513 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1c(F)cccc1F ZINC000540332945 1037808294 /nfs/dbraw/zinc/80/82/94/1037808294.db2.gz UJTIRMRZCQWHOK-LLVKDONJSA-N 1 2 338.785 3.585 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152894365 1037824250 /nfs/dbraw/zinc/82/42/50/1037824250.db2.gz FZSDBFPIJMNIED-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152894365 1037824276 /nfs/dbraw/zinc/82/42/76/1037824276.db2.gz FZSDBFPIJMNIED-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084308 1037866838 /nfs/dbraw/zinc/86/68/38/1037866838.db2.gz LZCMRMHQDKJJAH-CABCVRRESA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084308 1037866850 /nfs/dbraw/zinc/86/68/50/1037866850.db2.gz LZCMRMHQDKJJAH-CABCVRRESA-N 1 2 329.831 3.573 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H](C)C3CCCCC3)[nH+]c12 ZINC000669871732 1037872998 /nfs/dbraw/zinc/87/29/98/1037872998.db2.gz YPWOOMLLKRXGQK-INIZCTEOSA-N 1 2 342.487 3.795 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378095044 1037896294 /nfs/dbraw/zinc/89/62/94/1037896294.db2.gz YXTKHFCHNAWLAN-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378095044 1037896310 /nfs/dbraw/zinc/89/63/10/1037896310.db2.gz YXTKHFCHNAWLAN-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000119345800 1037898485 /nfs/dbraw/zinc/89/84/85/1037898485.db2.gz RLPWVABAEOTUEP-GOSISDBHSA-N 1 2 347.462 3.597 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119807859 1037912696 /nfs/dbraw/zinc/91/26/96/1037912696.db2.gz NTDILBFXNPWTHU-MOPGFXCFSA-N 1 2 339.483 3.624 20 0 EHADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)sc1-c1ccc(F)cc1 ZINC000378109992 1037937512 /nfs/dbraw/zinc/93/75/12/1037937512.db2.gz JQTRDNUEYJONRM-UHFFFAOYSA-N 1 2 341.411 3.715 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC001625894563 1037941134 /nfs/dbraw/zinc/94/11/34/1037941134.db2.gz AEBFKHVRDQLGJG-RTBURBONSA-N 1 2 349.409 3.881 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC001625894563 1037941145 /nfs/dbraw/zinc/94/11/45/1037941145.db2.gz AEBFKHVRDQLGJG-RTBURBONSA-N 1 2 349.409 3.881 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 ZINC000492072583 1037947577 /nfs/dbraw/zinc/94/75/77/1037947577.db2.gz JRRNAVFKHOGOSX-FMIVXFBMSA-N 1 2 347.418 3.627 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000492109925 1037989438 /nfs/dbraw/zinc/98/94/38/1037989438.db2.gz IYHDVKYKBHFCHY-AAYCNEPYSA-N 1 2 347.821 3.799 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000378141441 1038025116 /nfs/dbraw/zinc/02/51/16/1038025116.db2.gz NJRSKEVXYXIYKL-INIZCTEOSA-N 1 2 340.814 3.644 20 0 EHADLO Cc1cc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc[nH+]1 ZINC000123741751 1038064907 /nfs/dbraw/zinc/06/49/07/1038064907.db2.gz PIJMBQMTDFTWFS-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CSCc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000123907347 1038102239 /nfs/dbraw/zinc/10/22/39/1038102239.db2.gz VVPNTUIUDHPIJE-DYVFJYSZSA-N 1 2 347.459 3.609 20 0 EHADLO CC[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000180286301 1038119643 /nfs/dbraw/zinc/11/96/43/1038119643.db2.gz LALCHCHPHUJANS-HZPDHXFCSA-N 1 2 331.504 3.520 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(Oc2ccccn2)cc1 ZINC000651343145 1038272670 /nfs/dbraw/zinc/27/26/70/1038272670.db2.gz BGGRROHQLXKSMX-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000125281295 1038302276 /nfs/dbraw/zinc/30/22/76/1038302276.db2.gz CEOXPKBVKJRZAH-BRWVUGGUSA-N 1 2 345.487 3.702 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000378268307 1038338315 /nfs/dbraw/zinc/33/83/15/1038338315.db2.gz WLAYOPBRACWBLQ-LJQANCHMSA-N 1 2 345.446 3.568 20 0 EHADLO Cc1nc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)oc1C ZINC000378273537 1038347018 /nfs/dbraw/zinc/34/70/18/1038347018.db2.gz QZHKTZQGXSNMCK-UHFFFAOYSA-N 1 2 349.394 3.851 20 0 EHADLO C[C@@H](N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1)C(F)(F)F ZINC000538722756 1038491292 /nfs/dbraw/zinc/49/12/92/1038491292.db2.gz NCLGUHKLEOWZSO-OAHLLOKOSA-N 1 2 349.400 3.817 20 0 EHADLO C[C@H]1OCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H]1C ZINC000538727968 1038495498 /nfs/dbraw/zinc/49/54/98/1038495498.db2.gz LOKWDYPAJKSPIW-WDEREUQCSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@H]1OCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H]1C ZINC000538727968 1038495509 /nfs/dbraw/zinc/49/55/09/1038495509.db2.gz LOKWDYPAJKSPIW-WDEREUQCSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000659954104 1038500057 /nfs/dbraw/zinc/50/00/57/1038500057.db2.gz ZYHKVMBVAFPNHR-XOBRGWDASA-N 1 2 337.398 3.731 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000659954104 1038500064 /nfs/dbraw/zinc/50/00/64/1038500064.db2.gz ZYHKVMBVAFPNHR-XOBRGWDASA-N 1 2 337.398 3.731 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000667135001 1038510777 /nfs/dbraw/zinc/51/07/77/1038510777.db2.gz OGWQCAKEBDIDNX-CRAIPNDOSA-N 1 2 325.456 3.967 20 0 EHADLO Cc1cc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)c(C)c[nH+]1 ZINC000538827325 1038553659 /nfs/dbraw/zinc/55/36/59/1038553659.db2.gz UZJPGPGGBTWLLS-QGZVFWFLSA-N 1 2 332.831 3.816 20 0 EHADLO CSc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1C ZINC000378439198 1038619287 /nfs/dbraw/zinc/61/92/87/1038619287.db2.gz MYZBQVLIOUYJLZ-KRWDZBQOSA-N 1 2 341.480 3.715 20 0 EHADLO CSc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1C ZINC000378439198 1038619289 /nfs/dbraw/zinc/61/92/89/1038619289.db2.gz MYZBQVLIOUYJLZ-KRWDZBQOSA-N 1 2 341.480 3.715 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)c1C ZINC000651379438 1038638519 /nfs/dbraw/zinc/63/85/19/1038638519.db2.gz FJZJIGYVMREBCS-LJQANCHMSA-N 1 2 337.467 3.742 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(C)CCCCC2)c1C ZINC000461972204 1038705735 /nfs/dbraw/zinc/70/57/35/1038705735.db2.gz QMBWAAGRXCSXDF-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1ccccc1SC(F)(F)F ZINC000924685655 1038714503 /nfs/dbraw/zinc/71/45/03/1038714503.db2.gz QNVSBQWCBHNEMX-SNVBAGLBSA-N 1 2 330.379 3.761 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000378599138 1038755935 /nfs/dbraw/zinc/75/59/35/1038755935.db2.gz UMBGAGIUUJBTQN-MRXNPFEDSA-N 1 2 347.894 3.861 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)no1 ZINC000539285646 1038760015 /nfs/dbraw/zinc/76/00/15/1038760015.db2.gz ADIILOBJKXXPFX-PXNSSMCTSA-N 1 2 349.434 3.912 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667559762 1038780747 /nfs/dbraw/zinc/78/07/47/1038780747.db2.gz FQIUYPCKKJEWCJ-UHFFFAOYSA-N 1 2 343.496 3.521 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC=C(C)C ZINC000479848634 1038806216 /nfs/dbraw/zinc/80/62/16/1038806216.db2.gz KXBMVZWLHDWVTB-UHFFFAOYSA-N 1 2 344.503 3.686 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667568040 1038827933 /nfs/dbraw/zinc/82/79/33/1038827933.db2.gz QFURJPZYXPMKSL-UHFFFAOYSA-N 1 2 342.405 3.765 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1c(F)cccc1Cl ZINC000539378724 1038868937 /nfs/dbraw/zinc/86/89/37/1038868937.db2.gz FHAZHIPGGPPCHA-TYNCELHUSA-N 1 2 326.843 3.825 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462214062 1038869246 /nfs/dbraw/zinc/86/92/46/1038869246.db2.gz YUZAMROBFKBCPT-JYJNAYRXSA-N 1 2 337.533 3.961 20 0 EHADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1C(=O)[O-] ZINC000910351994 1038876269 /nfs/dbraw/zinc/87/62/69/1038876269.db2.gz LEEQOXRIDRSVIW-OAHLLOKOSA-N 1 2 341.455 3.774 20 0 EHADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@H+](C(C)C)C2)c1C(=O)[O-] ZINC000910351994 1038876295 /nfs/dbraw/zinc/87/62/95/1038876295.db2.gz LEEQOXRIDRSVIW-OAHLLOKOSA-N 1 2 341.455 3.774 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1 ZINC000663814966 1038901511 /nfs/dbraw/zinc/90/15/11/1038901511.db2.gz MKMLFDFNBKQWPV-UHFFFAOYSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1 ZINC000663814966 1038901531 /nfs/dbraw/zinc/90/15/31/1038901531.db2.gz MKMLFDFNBKQWPV-UHFFFAOYSA-N 1 2 340.471 3.563 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000552035276 1038902725 /nfs/dbraw/zinc/90/27/25/1038902725.db2.gz RMQPVVYZNPAHMK-SHTZXODSSA-N 1 2 327.403 3.682 20 0 EHADLO Cc1c[nH]c(-c2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc2)n1 ZINC000898383913 1038933097 /nfs/dbraw/zinc/93/30/97/1038933097.db2.gz ISBFXXDBJVLFGZ-KRWDZBQOSA-N 1 2 337.427 3.808 20 0 EHADLO CCCCCN(C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@@H](C)CCC ZINC000418764921 1038941779 /nfs/dbraw/zinc/94/17/79/1038941779.db2.gz OFYWSODFEVUGRA-LSDHHAIUSA-N 1 2 333.467 3.622 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(Sc3ccccn3)o2)CCO1 ZINC000668464482 1038945619 /nfs/dbraw/zinc/94/56/19/1038945619.db2.gz ZGWRENCMMRKEPU-GOSISDBHSA-N 1 2 330.453 3.827 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(Sc3ccccn3)o2)CCO1 ZINC000668464482 1038945639 /nfs/dbraw/zinc/94/56/39/1038945639.db2.gz ZGWRENCMMRKEPU-GOSISDBHSA-N 1 2 330.453 3.827 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)[C@@H]1CC1(C)C ZINC000416730085 1038950271 /nfs/dbraw/zinc/95/02/71/1038950271.db2.gz LHTZIKYTXTWXJA-JKSUJKDBSA-N 1 2 334.508 3.692 20 0 EHADLO Fc1ccc(OC(F)F)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077754 1038963093 /nfs/dbraw/zinc/96/30/93/1038963093.db2.gz PNUVOGFOEBXXOR-NSHDSACASA-N 1 2 325.334 3.530 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988321 1038975803 /nfs/dbraw/zinc/97/58/03/1038975803.db2.gz QLQPHFHZXXEHAW-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000184988321 1038975813 /nfs/dbraw/zinc/97/58/13/1038975813.db2.gz QLQPHFHZXXEHAW-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCc2[nH+]ccn2C1 ZINC000363937123 1039032039 /nfs/dbraw/zinc/03/20/39/1039032039.db2.gz GPYXRMUIAZYUJA-ZDUSSCGKSA-N 1 2 331.375 3.984 20 0 EHADLO NC(Cc1cccc(F)c1)=[NH+]OCc1cc(-c2cccs2)on1 ZINC000783153723 1039057689 /nfs/dbraw/zinc/05/76/89/1039057689.db2.gz ZCFTZCJFRSXMOR-UHFFFAOYSA-N 1 2 331.372 3.783 20 0 EHADLO Cc1ccc(NC(=O)NCc2nc(C(C)(C)C)cs2)c(N(C)C)[nH+]1 ZINC000162322148 1039059685 /nfs/dbraw/zinc/05/96/85/1039059685.db2.gz IQMOFKIFOPFPRI-UHFFFAOYSA-N 1 2 347.488 3.532 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NC[C@H]2COC3(CCCC3)O2)cc1 ZINC000760581370 1039086189 /nfs/dbraw/zinc/08/61/89/1039086189.db2.gz YWVYWWYEGDWZAR-KRWDZBQOSA-N 1 2 340.423 3.758 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1sccc1-c1ccccc1 ZINC000898482800 1039108572 /nfs/dbraw/zinc/10/85/72/1039108572.db2.gz DCAZUAYTZIQGEX-OAHLLOKOSA-N 1 2 332.444 3.579 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1sccc1-c1ccccc1 ZINC000898482800 1039108578 /nfs/dbraw/zinc/10/85/78/1039108578.db2.gz DCAZUAYTZIQGEX-OAHLLOKOSA-N 1 2 332.444 3.579 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc2n[nH]cc2c1 ZINC000554258030 1039116534 /nfs/dbraw/zinc/11/65/34/1039116534.db2.gz XLDCEKLODVADPH-NXEZZACHSA-N 1 2 346.232 3.527 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000668844678 1039120251 /nfs/dbraw/zinc/12/02/51/1039120251.db2.gz PEVRPYSRAFNODO-UHFFFAOYSA-N 1 2 343.862 3.534 20 0 EHADLO Cn1c2cc(Cl)ccc2nc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000668844678 1039120258 /nfs/dbraw/zinc/12/02/58/1039120258.db2.gz PEVRPYSRAFNODO-UHFFFAOYSA-N 1 2 343.862 3.534 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667276066 1039120346 /nfs/dbraw/zinc/12/03/46/1039120346.db2.gz WPCJVBCRQAUCNS-QFBILLFUSA-N 1 2 338.455 3.616 20 0 EHADLO CC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(C)c1 ZINC000488407623 1039141725 /nfs/dbraw/zinc/14/17/25/1039141725.db2.gz NKSJDKOTEJLMFZ-LJQANCHMSA-N 1 2 349.434 3.768 20 0 EHADLO O[C@@H](C[N@H+](Cc1csc(Cl)n1)C1CC1)c1ccc(F)cc1 ZINC000827973538 1039178266 /nfs/dbraw/zinc/17/82/66/1039178266.db2.gz JSJLAPJWPVBDBM-AWEZNQCLSA-N 1 2 326.824 3.634 20 0 EHADLO O[C@@H](C[N@@H+](Cc1csc(Cl)n1)C1CC1)c1ccc(F)cc1 ZINC000827973538 1039178272 /nfs/dbraw/zinc/17/82/72/1039178272.db2.gz JSJLAPJWPVBDBM-AWEZNQCLSA-N 1 2 326.824 3.634 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000554298071 1039186730 /nfs/dbraw/zinc/18/67/30/1039186730.db2.gz CWLDWHIJMKCJBE-QGZVFWFLSA-N 1 2 327.428 3.744 20 0 EHADLO FC1(F)CCCC[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000488472662 1039210787 /nfs/dbraw/zinc/21/07/87/1039210787.db2.gz XGBHVAPQNLRZGT-CYBMUJFWSA-N 1 2 342.459 3.657 20 0 EHADLO FC1(F)CCCC[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000488472662 1039210798 /nfs/dbraw/zinc/21/07/98/1039210798.db2.gz XGBHVAPQNLRZGT-CYBMUJFWSA-N 1 2 342.459 3.657 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000488517218 1039253097 /nfs/dbraw/zinc/25/30/97/1039253097.db2.gz UHOJEACKBCCDNQ-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000488517218 1039253109 /nfs/dbraw/zinc/25/31/09/1039253109.db2.gz UHOJEACKBCCDNQ-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1Cl ZINC000488515089 1039253421 /nfs/dbraw/zinc/25/34/21/1039253421.db2.gz OJWDUNWOVQRFOJ-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1Cl ZINC000488515089 1039253435 /nfs/dbraw/zinc/25/34/35/1039253435.db2.gz OJWDUNWOVQRFOJ-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO O=C(c1cc[nH]c1C1CCC1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000488552921 1039266597 /nfs/dbraw/zinc/26/65/97/1039266597.db2.gz VQGYHQLSIAIGEK-QGZVFWFLSA-N 1 2 343.858 3.722 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)n1 ZINC000932164674 1039287332 /nfs/dbraw/zinc/28/73/32/1039287332.db2.gz YPMOFDZRBPODFG-QWHCGFSZSA-N 1 2 327.494 3.663 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2COC(C)(C)C)n1 ZINC000932164674 1039287339 /nfs/dbraw/zinc/28/73/39/1039287339.db2.gz YPMOFDZRBPODFG-QWHCGFSZSA-N 1 2 327.494 3.663 20 0 EHADLO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000467376751 1039299100 /nfs/dbraw/zinc/29/91/00/1039299100.db2.gz LTZSMDRPZOJXMP-VXGBXAGGSA-N 1 2 331.378 3.956 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NC(C)(C)CCO)ccc21 ZINC001167740797 1039306010 /nfs/dbraw/zinc/30/60/10/1039306010.db2.gz RCCULECNRRNJPV-UHFFFAOYSA-N 1 2 325.412 3.607 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000237295757 1039335714 /nfs/dbraw/zinc/33/57/14/1039335714.db2.gz YZYRVYWVMGNXPI-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccnn2CC2CC2)cc1 ZINC000667644465 1039340084 /nfs/dbraw/zinc/34/00/84/1039340084.db2.gz KAHLXZPUQRLESV-IBGZPJMESA-N 1 2 327.497 3.892 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccnn2CC2CC2)cc1 ZINC000667644465 1039340101 /nfs/dbraw/zinc/34/01/01/1039340101.db2.gz KAHLXZPUQRLESV-IBGZPJMESA-N 1 2 327.497 3.892 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726101 1039346572 /nfs/dbraw/zinc/34/65/72/1039346572.db2.gz NEZKABSDWRMPQP-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726101 1039346587 /nfs/dbraw/zinc/34/65/87/1039346587.db2.gz NEZKABSDWRMPQP-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648714 1039349272 /nfs/dbraw/zinc/34/92/72/1039349272.db2.gz MBJZLXZWTCMKJT-PUECVXPYSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648714 1039349289 /nfs/dbraw/zinc/34/92/89/1039349289.db2.gz MBJZLXZWTCMKJT-PUECVXPYSA-N 1 2 338.442 3.899 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)o1 ZINC000237418297 1039361157 /nfs/dbraw/zinc/36/11/57/1039361157.db2.gz OPDNBTQBBGJIQN-CYBMUJFWSA-N 1 2 340.402 3.783 20 0 EHADLO O=C(c1ccc(Nc2cccnc2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651971 1039382571 /nfs/dbraw/zinc/38/25/71/1039382571.db2.gz OGEPRAGVOORHCI-UHFFFAOYSA-N 1 2 347.422 3.568 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1nnc2n1CCC2 ZINC000237578800 1039391773 /nfs/dbraw/zinc/39/17/73/1039391773.db2.gz BTLIJCFHNOGALK-LBPRGKRZSA-N 1 2 342.830 3.989 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000417140194 1039445980 /nfs/dbraw/zinc/44/59/80/1039445980.db2.gz DOMXDSIKHDJCFV-INIZCTEOSA-N 1 2 342.418 3.546 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000485711179 1039452108 /nfs/dbraw/zinc/45/21/08/1039452108.db2.gz QUFIJBYLHUMVKL-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543747 1039463447 /nfs/dbraw/zinc/46/34/47/1039463447.db2.gz CLIHMQOUQOPUNY-HOCLYGCPSA-N 1 2 341.459 3.663 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cc2nn(C)cc2Br)CC1 ZINC000432827073 1039469229 /nfs/dbraw/zinc/46/92/29/1039469229.db2.gz ASOAJBLMJSWZEJ-UHFFFAOYSA-N 1 2 348.288 3.871 20 0 EHADLO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000488960683 1039505419 /nfs/dbraw/zinc/50/54/19/1039505419.db2.gz LYAOGQZYUXTMBK-GOSISDBHSA-N 1 2 335.407 3.977 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485748513 1039510662 /nfs/dbraw/zinc/51/06/62/1039510662.db2.gz FPOVQXNTUZSVIL-UYHISHBKSA-N 1 2 338.442 3.899 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485748513 1039510680 /nfs/dbraw/zinc/51/06/80/1039510680.db2.gz FPOVQXNTUZSVIL-UYHISHBKSA-N 1 2 338.442 3.899 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)oc1C ZINC000432848720 1039532647 /nfs/dbraw/zinc/53/26/47/1039532647.db2.gz XHYJCMNOXDKJOG-BONVTDFDSA-N 1 2 334.441 3.941 20 0 EHADLO CC(C)(C)OC1CC(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000488982488 1039536387 /nfs/dbraw/zinc/53/63/87/1039536387.db2.gz NYRVBLRXJLXAGP-UHFFFAOYSA-N 1 2 327.428 3.999 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000432865065 1039565133 /nfs/dbraw/zinc/56/51/33/1039565133.db2.gz HCJLLKHOPMUOSD-BLIJAFNYSA-N 1 2 342.464 3.998 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000432865065 1039565148 /nfs/dbraw/zinc/56/51/48/1039565148.db2.gz HCJLLKHOPMUOSD-BLIJAFNYSA-N 1 2 342.464 3.998 20 0 EHADLO CSc1cc(C)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000417234491 1039576129 /nfs/dbraw/zinc/57/61/29/1039576129.db2.gz PXDSCIMRICDNSI-UHFFFAOYSA-N 1 2 330.457 3.736 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccsc2)O1 ZINC000667680629 1039598307 /nfs/dbraw/zinc/59/83/07/1039598307.db2.gz MJVAKHFRDCNJGN-ACJLOTCBSA-N 1 2 331.485 3.711 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccsc2)O1 ZINC000667680629 1039598314 /nfs/dbraw/zinc/59/83/14/1039598314.db2.gz MJVAKHFRDCNJGN-ACJLOTCBSA-N 1 2 331.485 3.711 20 0 EHADLO CCn1nc(C)c(CSCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000842181732 1039637334 /nfs/dbraw/zinc/63/73/34/1039637334.db2.gz YIFODCZANBHCLV-UHFFFAOYSA-N 1 2 327.457 3.534 20 0 EHADLO C[C@@H](c1nc(Cc2cccc(F)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000485859779 1039637593 /nfs/dbraw/zinc/63/75/93/1039637593.db2.gz QZFIDWRUDFAFMU-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@@H](c1nc(Cc2cccc(F)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000485859779 1039637604 /nfs/dbraw/zinc/63/76/04/1039637604.db2.gz QZFIDWRUDFAFMU-AWEZNQCLSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000552923639 1039638661 /nfs/dbraw/zinc/63/86/61/1039638661.db2.gz SEEUGTSYWKEKKI-TVQRCGJNSA-N 1 2 330.375 3.855 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H](C)O1 ZINC000480539341 1039659846 /nfs/dbraw/zinc/65/98/46/1039659846.db2.gz KUAPGAUQLRWBJU-CRAIPNDOSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H](C)O1 ZINC000480539341 1039659861 /nfs/dbraw/zinc/65/98/61/1039659861.db2.gz KUAPGAUQLRWBJU-CRAIPNDOSA-N 1 2 344.430 3.799 20 0 EHADLO CC(C)(CNC(=O)CCc1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000898901813 1039679191 /nfs/dbraw/zinc/67/91/91/1039679191.db2.gz GKECUTGAJVRPRW-UHFFFAOYSA-N 1 2 340.254 3.674 20 0 EHADLO Cc1c2occ(CC(=O)NCC(C)(C)n3cc[nH+]c3)c2ccc1Cl ZINC000898912042 1039703800 /nfs/dbraw/zinc/70/38/00/1039703800.db2.gz DBMRDMWAKASLFA-UHFFFAOYSA-N 1 2 345.830 3.685 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCS[C@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000906730801 1039719077 /nfs/dbraw/zinc/71/90/77/1039719077.db2.gz ISBFYDNGJHHZAZ-KRWDZBQOSA-N 1 2 326.465 3.937 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc3cccnc31)CCO2 ZINC000489197917 1039723706 /nfs/dbraw/zinc/72/37/06/1039723706.db2.gz XUUQRAPFWTZMSL-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1cc(F)cc3cccnc31)CCO2 ZINC000489197917 1039723725 /nfs/dbraw/zinc/72/37/25/1039723725.db2.gz XUUQRAPFWTZMSL-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1nc2ccccc2n1C ZINC000553102741 1039777362 /nfs/dbraw/zinc/77/73/62/1039777362.db2.gz DPCSDXVODAGDHV-CQSZACIVSA-N 1 2 338.455 3.996 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1nc2ccccc2n1C ZINC000553102740 1039777586 /nfs/dbraw/zinc/77/75/86/1039777586.db2.gz DPCSDXVODAGDHV-AWEZNQCLSA-N 1 2 338.455 3.996 20 0 EHADLO CSc1ccc(C[NH+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)cc1 ZINC000644776773 1039824798 /nfs/dbraw/zinc/82/47/98/1039824798.db2.gz RIZQTMSWTZFTEC-HUUCEWRRSA-N 1 2 334.529 3.876 20 0 EHADLO Fc1cccc2ncnc(N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c12 ZINC000584786816 1039848636 /nfs/dbraw/zinc/84/86/36/1039848636.db2.gz LWCMIJXKMZAYJT-HDJSIYSDSA-N 1 2 337.402 3.999 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H](O)c2cc3ccccc3s2)c(C)[nH+]1 ZINC000906969659 1039850121 /nfs/dbraw/zinc/85/01/21/1039850121.db2.gz AMCCWRWJTHKRAK-OAHLLOKOSA-N 1 2 340.448 3.685 20 0 EHADLO CCSc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000478971205 1039850212 /nfs/dbraw/zinc/85/02/12/1039850212.db2.gz ZMACGRXBBWGARW-PBHICJAKSA-N 1 2 329.469 3.718 20 0 EHADLO COC(=O)[C@H](CC(F)F)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000554867037 1039854631 /nfs/dbraw/zinc/85/46/31/1039854631.db2.gz OBAJFTQAXFHQFV-BCLQGDPASA-N 1 2 325.399 3.747 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000554866862 1039855484 /nfs/dbraw/zinc/85/54/84/1039855484.db2.gz MQJAZJCBBVJXIH-FSBNRTBOSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000554866862 1039855515 /nfs/dbraw/zinc/85/55/15/1039855515.db2.gz MQJAZJCBBVJXIH-FSBNRTBOSA-N 1 2 336.361 3.777 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(SC)o2)cc1 ZINC000893962448 1039866821 /nfs/dbraw/zinc/86/68/21/1039866821.db2.gz NUFNFAPYTUOSFT-MRXNPFEDSA-N 1 2 346.452 3.613 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(SC)o2)cc1 ZINC000893962448 1039866848 /nfs/dbraw/zinc/86/68/48/1039866848.db2.gz NUFNFAPYTUOSFT-MRXNPFEDSA-N 1 2 346.452 3.613 20 0 EHADLO CC[N@H+](Cc1ocnc1C)Cc1cc(Br)ccc1F ZINC000893945904 1039868563 /nfs/dbraw/zinc/86/85/63/1039868563.db2.gz LATVIAWIUOTPLQ-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1ocnc1C)Cc1cc(Br)ccc1F ZINC000893945904 1039868583 /nfs/dbraw/zinc/86/85/83/1039868583.db2.gz LATVIAWIUOTPLQ-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO Cc1cc(NCc2cc(Br)ccn2)nc(C2CCC2)[nH+]1 ZINC000893972714 1039903268 /nfs/dbraw/zinc/90/32/68/1039903268.db2.gz SARWVVZQFWOPGK-UHFFFAOYSA-N 1 2 333.233 3.822 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)ccc1F ZINC000489426760 1039962578 /nfs/dbraw/zinc/96/25/78/1039962578.db2.gz CKCRMPFZJLZORD-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)ccc1F ZINC000489426760 1039962603 /nfs/dbraw/zinc/96/26/03/1039962603.db2.gz CKCRMPFZJLZORD-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000479097893 1039966093 /nfs/dbraw/zinc/96/60/93/1039966093.db2.gz OZKBWBNDXWVCRK-MRXNPFEDSA-N 1 2 328.843 3.904 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000479097893 1039966113 /nfs/dbraw/zinc/96/61/13/1039966113.db2.gz OZKBWBNDXWVCRK-MRXNPFEDSA-N 1 2 328.843 3.904 20 0 EHADLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(CO)c1 ZINC001211733230 1039983897 /nfs/dbraw/zinc/98/38/97/1039983897.db2.gz JKLIASRXAHDYEB-UHFFFAOYSA-N 1 2 345.399 3.673 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)co1 ZINC000894033178 1039986878 /nfs/dbraw/zinc/98/68/78/1039986878.db2.gz CPQKDFWJBVXBDW-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)co1 ZINC000894033178 1039986893 /nfs/dbraw/zinc/98/68/93/1039986893.db2.gz CPQKDFWJBVXBDW-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO CCSc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000479209193 1040045791 /nfs/dbraw/zinc/04/57/91/1040045791.db2.gz BFVQINFSEUJYOX-HNNXBMFYSA-N 1 2 343.496 3.627 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000899180463 1040113871 /nfs/dbraw/zinc/11/38/71/1040113871.db2.gz WOBMFJUWBZYQTM-LEWJYISDSA-N 1 2 349.478 3.658 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000899180463 1040113879 /nfs/dbraw/zinc/11/38/79/1040113879.db2.gz WOBMFJUWBZYQTM-LEWJYISDSA-N 1 2 349.478 3.658 20 0 EHADLO CCCCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000912726651 1040164219 /nfs/dbraw/zinc/16/42/19/1040164219.db2.gz ZEEHNDYQGHMKME-AWEZNQCLSA-N 1 2 326.431 3.872 20 0 EHADLO CCCCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000912726651 1040164226 /nfs/dbraw/zinc/16/42/26/1040164226.db2.gz ZEEHNDYQGHMKME-AWEZNQCLSA-N 1 2 326.431 3.872 20 0 EHADLO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000189112575 1040173335 /nfs/dbraw/zinc/17/33/35/1040173335.db2.gz HVCGBPVUYCOMSZ-VXGBXAGGSA-N 1 2 325.416 3.728 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000584872952 1040174965 /nfs/dbraw/zinc/17/49/65/1040174965.db2.gz JQEKMMSUGNZWPH-UYAOXDASSA-N 1 2 333.435 3.882 20 0 EHADLO CN(C)c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1F ZINC000555114081 1040179939 /nfs/dbraw/zinc/17/99/39/1040179939.db2.gz JKYVLGBORQBUFS-UHFFFAOYSA-N 1 2 349.369 3.794 20 0 EHADLO CC(C)(C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000907815108 1040182034 /nfs/dbraw/zinc/18/20/34/1040182034.db2.gz IURUPZWIGGWERB-HNNXBMFYSA-N 1 2 329.488 3.867 20 0 EHADLO CC(C)(C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000907815108 1040182041 /nfs/dbraw/zinc/18/20/41/1040182041.db2.gz IURUPZWIGGWERB-HNNXBMFYSA-N 1 2 329.488 3.867 20 0 EHADLO Cc1cccc2[nH]c(=NCc3ccc(Cn4cc[nH+]c4)cc3)sc21 ZINC000479401448 1040184232 /nfs/dbraw/zinc/18/42/32/1040184232.db2.gz WXXMAVIATSMQOL-UHFFFAOYSA-N 1 2 334.448 3.884 20 0 EHADLO Cc1cccc2nc(NCc3ccc(Cn4cc[nH+]c4)cc3)sc21 ZINC000479401448 1040184246 /nfs/dbraw/zinc/18/42/46/1040184246.db2.gz WXXMAVIATSMQOL-UHFFFAOYSA-N 1 2 334.448 3.884 20 0 EHADLO CC(C)(C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)F ZINC000907816165 1040184985 /nfs/dbraw/zinc/18/49/85/1040184985.db2.gz RESVEIJXLBCRTN-GFCCVEGCSA-N 1 2 339.430 3.722 20 0 EHADLO CC(C)(C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)F ZINC000907816165 1040184992 /nfs/dbraw/zinc/18/49/92/1040184992.db2.gz RESVEIJXLBCRTN-GFCCVEGCSA-N 1 2 339.430 3.722 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)n(C)n1 ZINC000417714510 1040197737 /nfs/dbraw/zinc/19/77/37/1040197737.db2.gz HRRIIVOBQAOUBH-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)n(C)n1 ZINC000417714510 1040197744 /nfs/dbraw/zinc/19/77/44/1040197744.db2.gz HRRIIVOBQAOUBH-INIZCTEOSA-N 1 2 334.261 3.828 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@H]1C ZINC000432928605 1040202014 /nfs/dbraw/zinc/20/20/14/1040202014.db2.gz SXKSAHQVNAGKAE-MWLCHTKSSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@H]1C ZINC000432928605 1040202022 /nfs/dbraw/zinc/20/20/22/1040202022.db2.gz SXKSAHQVNAGKAE-MWLCHTKSSA-N 1 2 334.218 3.764 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccc(Br)s1 ZINC000667482896 1040208451 /nfs/dbraw/zinc/20/84/51/1040208451.db2.gz RYVBHDFGVUTGAT-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000667482896 1040208464 /nfs/dbraw/zinc/20/84/64/1040208464.db2.gz RYVBHDFGVUTGAT-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO CS[C@@H]1CCCCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000154268522 1040240654 /nfs/dbraw/zinc/24/06/54/1040240654.db2.gz YBZRYVMLXBFPOM-OAHLLOKOSA-N 1 2 329.469 3.538 20 0 EHADLO CCn1c[nH+]cc1CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000417814454 1040250336 /nfs/dbraw/zinc/25/03/36/1040250336.db2.gz QNEMTNVAACYNKR-GOSISDBHSA-N 1 2 341.846 3.568 20 0 EHADLO CCC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3[nH]c[nH+]c3C)sc2C1 ZINC000553658574 1040282480 /nfs/dbraw/zinc/28/24/80/1040282480.db2.gz RSPTYOMUGUAUKA-GFCCVEGCSA-N 1 2 346.500 3.897 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000908077242 1040288727 /nfs/dbraw/zinc/28/87/27/1040288727.db2.gz UMBUUKQCAYTDSV-DLBZAZTESA-N 1 2 331.847 3.838 20 0 EHADLO NC(=O)C[N@H+](Cc1ccccc1)Cc1ccccc1Oc1ccccc1 ZINC000490196119 1040397943 /nfs/dbraw/zinc/39/79/43/1040397943.db2.gz FTSZGCWMQMRXOD-UHFFFAOYSA-N 1 2 346.430 3.966 20 0 EHADLO NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccccc1Oc1ccccc1 ZINC000490196119 1040397961 /nfs/dbraw/zinc/39/79/61/1040397961.db2.gz FTSZGCWMQMRXOD-UHFFFAOYSA-N 1 2 346.430 3.966 20 0 EHADLO CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000486765741 1040422176 /nfs/dbraw/zinc/42/21/76/1040422176.db2.gz YCAUNUKCGADCAE-SFHVURJKSA-N 1 2 335.407 3.977 20 0 EHADLO O=C([C@H]1CCCC2(CC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614188047 1040448725 /nfs/dbraw/zinc/44/87/25/1040448725.db2.gz HKFVIAMHSCBROG-KRWDZBQOSA-N 1 2 341.499 3.896 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027012 1040492225 /nfs/dbraw/zinc/49/22/25/1040492225.db2.gz JDFYZIMRDRBGQJ-MZNJEOGPSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCC2CCCCC2)c1 ZINC000433027012 1040492240 /nfs/dbraw/zinc/49/22/40/1040492240.db2.gz JDFYZIMRDRBGQJ-MZNJEOGPSA-N 1 2 349.540 3.989 20 0 EHADLO CCCc1nc(C)c(CNc2nc(C)[nH+]c(C)c2Br)o1 ZINC000663936390 1040504459 /nfs/dbraw/zinc/50/44/59/1040504459.db2.gz SBXMKHDXBOYMEX-UHFFFAOYSA-N 1 2 339.237 3.717 20 0 EHADLO CC(C)=CCC[C@@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908565074 1040516010 /nfs/dbraw/zinc/51/60/10/1040516010.db2.gz MYAAUXKOQJAFOU-QGZVFWFLSA-N 1 2 340.471 3.860 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000109282194 1040535716 /nfs/dbraw/zinc/53/57/16/1040535716.db2.gz ZZEHBGAYNPUCKJ-INIZCTEOSA-N 1 2 343.496 3.879 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667850523 1040542415 /nfs/dbraw/zinc/54/24/15/1040542415.db2.gz PHVXCLQWVHFSOL-WOJBJXKFSA-N 1 2 345.446 3.849 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000667848097 1040548529 /nfs/dbraw/zinc/54/85/29/1040548529.db2.gz PTWFYXNGXGXMAA-RBUKOAKNSA-N 1 2 325.456 3.848 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc4c(c3)COC4)c2)[nH+]c1C ZINC000149656355 1040561030 /nfs/dbraw/zinc/56/10/30/1040561030.db2.gz GTHZAHJEEGVFOF-UHFFFAOYSA-N 1 2 333.391 3.976 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667549638 1040587213 /nfs/dbraw/zinc/58/72/13/1040587213.db2.gz RWLRTLWOYLIVLA-CXAGYDPISA-N 1 2 342.443 3.624 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000490562448 1040610245 /nfs/dbraw/zinc/61/02/45/1040610245.db2.gz YOWNOOWMDWHPCZ-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000486983955 1040622448 /nfs/dbraw/zinc/62/24/48/1040622448.db2.gz XADJPSDRPKWUFS-GFCCVEGCSA-N 1 2 330.819 3.632 20 0 EHADLO CC1(C)C[N@H+](CC(=O)NCCCc2ccccc2)[C@H]1c1cccs1 ZINC000553991584 1040651004 /nfs/dbraw/zinc/65/10/04/1040651004.db2.gz CHGBRDMDTWOBDJ-IBGZPJMESA-N 1 2 342.508 3.880 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)NCCCc2ccccc2)[C@H]1c1cccs1 ZINC000553991584 1040651010 /nfs/dbraw/zinc/65/10/10/1040651010.db2.gz CHGBRDMDTWOBDJ-IBGZPJMESA-N 1 2 342.508 3.880 20 0 EHADLO Cc1ccc(COc2ccc(C[N@@H+]3CCc4nccnc4C3)cc2)cc1 ZINC000668735439 1040675200 /nfs/dbraw/zinc/67/52/00/1040675200.db2.gz JIRZSTBAXFDVDI-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO Cc1ccc(COc2ccc(C[N@H+]3CCc4nccnc4C3)cc2)cc1 ZINC000668735439 1040675207 /nfs/dbraw/zinc/67/52/07/1040675207.db2.gz JIRZSTBAXFDVDI-UHFFFAOYSA-N 1 2 345.446 3.922 20 0 EHADLO Cc1cc(C)c(NC(=O)c2nc(Br)ccc2C)c(C)[nH+]1 ZINC000191821647 1040694876 /nfs/dbraw/zinc/69/48/76/1040694876.db2.gz SKMJMGTVXRQDHC-UHFFFAOYSA-N 1 2 334.217 3.725 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2n1 ZINC000364298716 1040711709 /nfs/dbraw/zinc/71/17/09/1040711709.db2.gz XMHAYBBSBWUWAX-UHFFFAOYSA-N 1 2 335.411 3.678 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2n1 ZINC000364298716 1040711727 /nfs/dbraw/zinc/71/17/27/1040711727.db2.gz XMHAYBBSBWUWAX-UHFFFAOYSA-N 1 2 335.411 3.678 20 0 EHADLO c1ccc2c(c1)ccnc2CNc1ccccc1C[NH+]1CCOCC1 ZINC000894120534 1040741074 /nfs/dbraw/zinc/74/10/74/1040741074.db2.gz NWCACIDXUCIARB-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO CCCCc1ccc2nc(NC(=O)CCn3cc[nH+]c3)sc2c1 ZINC000614222742 1040746575 /nfs/dbraw/zinc/74/65/75/1040746575.db2.gz PUNXJFPMBAJDJH-UHFFFAOYSA-N 1 2 328.441 3.864 20 0 EHADLO CC(C)C1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000364330240 1040827024 /nfs/dbraw/zinc/82/70/24/1040827024.db2.gz HQNUTSJUHUVVQC-UHFFFAOYSA-N 1 2 332.492 3.576 20 0 EHADLO Cc1ncccc1OC[C@H]1CCCN1c1[nH+]ccc2c(N)cccc21 ZINC000664022083 1040837577 /nfs/dbraw/zinc/83/75/77/1040837577.db2.gz CWNMRJBWTPCBLV-OAHLLOKOSA-N 1 2 334.423 3.568 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000487574197 1040972216 /nfs/dbraw/zinc/97/22/16/1040972216.db2.gz OWMVLFIODCBDGG-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000487574197 1040972238 /nfs/dbraw/zinc/97/22/38/1040972238.db2.gz OWMVLFIODCBDGG-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425288536 1040978925 /nfs/dbraw/zinc/97/89/25/1040978925.db2.gz XZUNUMYUHDGDLS-QZTJIDSGSA-N 1 2 325.456 3.826 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(N4CCCC4)cc3C)[nH+]c12 ZINC000586740237 1040988793 /nfs/dbraw/zinc/98/87/93/1040988793.db2.gz UXUMYHYGMBJEQQ-UHFFFAOYSA-N 1 2 348.450 3.733 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](c4ccccc4C)C3)[nH+]c12 ZINC000586759447 1041001036 /nfs/dbraw/zinc/00/10/36/1041001036.db2.gz BRGHASHANGFYRA-QGZVFWFLSA-N 1 2 333.435 3.510 20 0 EHADLO Cc1cc(N(C)C[C@@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487643070 1041013085 /nfs/dbraw/zinc/01/30/85/1041013085.db2.gz PDEOPKJJWMQCQM-LBPRGKRZSA-N 1 2 340.345 3.915 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487696647 1041056007 /nfs/dbraw/zinc/05/60/07/1041056007.db2.gz YAJQIBANFDZYOP-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1 ZINC000433211492 1041100825 /nfs/dbraw/zinc/10/08/25/1041100825.db2.gz ZCXNZGKXLLAHEO-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1 ZINC000433211492 1041100831 /nfs/dbraw/zinc/10/08/31/1041100831.db2.gz ZCXNZGKXLLAHEO-GOSISDBHSA-N 1 2 348.443 3.623 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1(c2ccccc2)CCCC1 ZINC000570939780 1041120467 /nfs/dbraw/zinc/12/04/67/1041120467.db2.gz MHCQRTUHIIVYPG-JKSUJKDBSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1(c2ccccc2)CCCC1 ZINC000570939780 1041120470 /nfs/dbraw/zinc/12/04/70/1041120470.db2.gz MHCQRTUHIIVYPG-JKSUJKDBSA-N 1 2 325.456 3.605 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000433300633 1041239604 /nfs/dbraw/zinc/23/96/04/1041239604.db2.gz TYDRSSLPSZELFD-MRXNPFEDSA-N 1 2 325.456 3.509 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000156563426 1041284829 /nfs/dbraw/zinc/28/48/29/1041284829.db2.gz OEBUZXMNQQCSLK-UHFFFAOYSA-N 1 2 333.863 3.526 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)co2)cc1 ZINC000433324949 1041286184 /nfs/dbraw/zinc/28/61/84/1041286184.db2.gz CXKXHRRDYKQQIY-UHFFFAOYSA-N 1 2 334.379 3.923 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccco1 ZINC000433329371 1041292466 /nfs/dbraw/zinc/29/24/66/1041292466.db2.gz XXIFAFUFCLQTLC-MRXNPFEDSA-N 1 2 329.400 3.766 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000511685216 1041461856 /nfs/dbraw/zinc/46/18/56/1041461856.db2.gz XJLWVSWSZCQAMM-WDEREUQCSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000511685216 1041461862 /nfs/dbraw/zinc/46/18/62/1041461862.db2.gz XJLWVSWSZCQAMM-WDEREUQCSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000511685214 1041462344 /nfs/dbraw/zinc/46/23/44/1041462344.db2.gz XJLWVSWSZCQAMM-MNOVXSKESA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000511685214 1041462352 /nfs/dbraw/zinc/46/23/52/1041462352.db2.gz XJLWVSWSZCQAMM-MNOVXSKESA-N 1 2 342.188 3.986 20 0 EHADLO C[C@H](c1cccc(N=c2[nH]c3cc(F)ccc3o2)c1)[NH+]1CCOCC1 ZINC000511734806 1041492524 /nfs/dbraw/zinc/49/25/24/1041492524.db2.gz IARQVFRFOHZNMC-CYBMUJFWSA-N 1 2 341.386 3.526 20 0 EHADLO Cc1ccncc1C[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644368 1041626157 /nfs/dbraw/zinc/62/61/57/1041626157.db2.gz RSIJTXFYRTZEQB-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccncc1C[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644368 1041626159 /nfs/dbraw/zinc/62/61/59/1041626159.db2.gz RSIJTXFYRTZEQB-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1noc([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660547626 1041654165 /nfs/dbraw/zinc/65/41/65/1041654165.db2.gz BOJVZLDSBXELOK-CQSZACIVSA-N 1 2 339.411 3.976 20 0 EHADLO Cc1noc([C@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)n1 ZINC000660547626 1041654172 /nfs/dbraw/zinc/65/41/72/1041654172.db2.gz BOJVZLDSBXELOK-CQSZACIVSA-N 1 2 339.411 3.976 20 0 EHADLO CC[C@H](CC(F)F)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000660554592 1041662676 /nfs/dbraw/zinc/66/26/76/1041662676.db2.gz XIGIBYDVVRBGGK-QWHCGFSZSA-N 1 2 326.435 3.994 20 0 EHADLO CC[C@H](CC(F)F)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000660554592 1041662678 /nfs/dbraw/zinc/66/26/78/1041662678.db2.gz XIGIBYDVVRBGGK-QWHCGFSZSA-N 1 2 326.435 3.994 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](CC(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000026625664 1041721865 /nfs/dbraw/zinc/72/18/65/1041721865.db2.gz SZGUEXGLNVKQSZ-UHFFFAOYSA-N 1 2 332.473 3.694 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](CC(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000026625664 1041721870 /nfs/dbraw/zinc/72/18/70/1041721870.db2.gz SZGUEXGLNVKQSZ-UHFFFAOYSA-N 1 2 332.473 3.694 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000043946952 1041793299 /nfs/dbraw/zinc/79/32/99/1041793299.db2.gz ACQAYUWNYVNSMZ-UHFFFAOYSA-N 1 2 331.828 3.695 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533590 1041869385 /nfs/dbraw/zinc/86/93/85/1041869385.db2.gz WRXAHIFKNQVSLS-NSHDSACASA-N 1 2 328.803 3.564 20 0 EHADLO CCCC[C@@H](CC)CCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661044835 1041917367 /nfs/dbraw/zinc/91/73/67/1041917367.db2.gz JUVWXDLZGUIUPO-IAGOWNOFSA-N 1 2 334.508 3.836 20 0 EHADLO O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000651704489 1041947122 /nfs/dbraw/zinc/94/71/22/1041947122.db2.gz LAFXNESXXARMKB-RTBURBONSA-N 1 2 329.488 3.728 20 0 EHADLO COCCc1nc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2Cl)no1 ZINC000661211073 1042004819 /nfs/dbraw/zinc/00/48/19/1042004819.db2.gz QQKSUFBSZLFNGF-GOSISDBHSA-N 1 2 349.862 3.509 20 0 EHADLO COCCc1nc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2Cl)no1 ZINC000661211073 1042004828 /nfs/dbraw/zinc/00/48/28/1042004828.db2.gz QQKSUFBSZLFNGF-GOSISDBHSA-N 1 2 349.862 3.509 20 0 EHADLO Cc1nocc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376298 1042087763 /nfs/dbraw/zinc/08/77/63/1042087763.db2.gz ALOFYLVNWNUDKM-UHFFFAOYSA-N 1 2 326.227 3.612 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc(OC)c1 ZINC000661477557 1042139902 /nfs/dbraw/zinc/13/99/02/1042139902.db2.gz GIQAEUKXDDVXMV-KRWDZBQOSA-N 1 2 344.436 3.889 20 0 EHADLO C[N@H+](Cc1csc(CCc2ccccc2)n1)CC1=CCCOC1 ZINC000661652452 1042236931 /nfs/dbraw/zinc/23/69/31/1042236931.db2.gz LVCGDRNRBYGSPH-UHFFFAOYSA-N 1 2 328.481 3.707 20 0 EHADLO C[N@@H+](Cc1csc(CCc2ccccc2)n1)CC1=CCCOC1 ZINC000661652452 1042236936 /nfs/dbraw/zinc/23/69/36/1042236936.db2.gz LVCGDRNRBYGSPH-UHFFFAOYSA-N 1 2 328.481 3.707 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000661738756 1042296808 /nfs/dbraw/zinc/29/68/08/1042296808.db2.gz VSWCSADKRBKZDO-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000661738756 1042296811 /nfs/dbraw/zinc/29/68/11/1042296811.db2.gz VSWCSADKRBKZDO-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO O=C(Nc1cccc(Br)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117560633 1042297473 /nfs/dbraw/zinc/29/74/73/1042297473.db2.gz GZNFHMNBHWGDTL-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000661789702 1042329464 /nfs/dbraw/zinc/32/94/64/1042329464.db2.gz NIJWJBVBRIRPLJ-QYZOEREBSA-N 1 2 344.503 3.521 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856181 1042368994 /nfs/dbraw/zinc/36/89/94/1042368994.db2.gz YAEYCBGWFFJCCP-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856181 1042368996 /nfs/dbraw/zinc/36/89/96/1042368996.db2.gz YAEYCBGWFFJCCP-GRYCIOLGSA-N 1 2 345.270 3.820 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1OC)c1nnc2n1CCCCC2 ZINC000661942197 1042421793 /nfs/dbraw/zinc/42/17/93/1042421793.db2.gz VLDWUHVNQFWYGL-HNNXBMFYSA-N 1 2 348.878 3.907 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1c(F)cccc1Br)CC2 ZINC000661958556 1042431957 /nfs/dbraw/zinc/43/19/57/1042431957.db2.gz VDKMEMLAFJSXLZ-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000652411634 1042463378 /nfs/dbraw/zinc/46/33/78/1042463378.db2.gz WAECYMWQENUOCI-DOTOQJQBSA-N 1 2 346.862 3.562 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCSC[C@@H]2C(C)(C)C)n1 ZINC000931593203 1042474289 /nfs/dbraw/zinc/47/42/89/1042474289.db2.gz NZGBZHPHWRONAO-ZIAGYGMSSA-N 1 2 341.521 3.767 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCSC[C@@H]2C(C)(C)C)n1 ZINC000931593203 1042474291 /nfs/dbraw/zinc/47/42/91/1042474291.db2.gz NZGBZHPHWRONAO-ZIAGYGMSSA-N 1 2 341.521 3.767 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000248628706 1042527514 /nfs/dbraw/zinc/52/75/14/1042527514.db2.gz ZLGXOEATIWZHOO-UYAOXDASSA-N 1 2 336.435 3.605 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000248628706 1042527518 /nfs/dbraw/zinc/52/75/18/1042527518.db2.gz ZLGXOEATIWZHOO-UYAOXDASSA-N 1 2 336.435 3.605 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(Cl)cc2)c1C ZINC000057605003 1042533767 /nfs/dbraw/zinc/53/37/67/1042533767.db2.gz VPLYSDJISZGGGC-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(F)cc1F ZINC000662162654 1042555080 /nfs/dbraw/zinc/55/50/80/1042555080.db2.gz GKVCPBVWKZOITD-CQSZACIVSA-N 1 2 347.283 3.529 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCOc3cc(Br)ccc3C2)n1 ZINC000662198093 1042579937 /nfs/dbraw/zinc/57/99/37/1042579937.db2.gz DGBABLQLHUJLIZ-UHFFFAOYSA-N 1 2 347.256 3.590 20 0 EHADLO Cc1cccc(CC[N@H+]2CCOc3cc(Br)ccc3C2)n1 ZINC000662198093 1042579939 /nfs/dbraw/zinc/57/99/39/1042579939.db2.gz DGBABLQLHUJLIZ-UHFFFAOYSA-N 1 2 347.256 3.590 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3cc(C)[nH+]c(C4CCC4)n3)n2)c1 ZINC000893556803 1042633444 /nfs/dbraw/zinc/63/34/44/1042633444.db2.gz UDIUXUGDBQFSNZ-CYBMUJFWSA-N 1 2 349.442 3.714 20 0 EHADLO COc1c[nH+]c(NCc2ccc(-n3nc(C)cc3C)cc2)c2[nH]ccc21 ZINC001167797506 1042674835 /nfs/dbraw/zinc/67/48/35/1042674835.db2.gz RABBGKMOUGVFNQ-UHFFFAOYSA-N 1 2 347.422 3.986 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000161758682 1042684002 /nfs/dbraw/zinc/68/40/02/1042684002.db2.gz DSDYGJVVEOJEOM-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)Cc2c[nH]nc2-c2cccnc2)c1 ZINC000162572436 1042736181 /nfs/dbraw/zinc/73/61/81/1042736181.db2.gz XGJSLXPOVZBXRO-UHFFFAOYSA-N 1 2 334.379 3.860 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@H]4CCCC[C@H]4C3)[nH+]cn2)CC1 ZINC000663359414 1042753982 /nfs/dbraw/zinc/75/39/82/1042753982.db2.gz GPEGDVZUXABYFC-IXDOHACOSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@H]4CCCC[C@H]4C3)nc[nH+]2)CC1 ZINC000663359414 1042753985 /nfs/dbraw/zinc/75/39/85/1042753985.db2.gz GPEGDVZUXABYFC-IXDOHACOSA-N 1 2 344.503 3.599 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c(OC)c1 ZINC000165265419 1042757313 /nfs/dbraw/zinc/75/73/13/1042757313.db2.gz HXGVIOUGXNFUMB-NWDGAFQWSA-N 1 2 336.457 3.719 20 0 EHADLO Cc1nc(CNc2nc[nH+]c(NCc3csc(C)n3)c2C)cs1 ZINC000663397588 1042815232 /nfs/dbraw/zinc/81/52/32/1042815232.db2.gz OGWLQFORPQXNLC-UHFFFAOYSA-N 1 2 346.485 3.539 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153155619 1042835774 /nfs/dbraw/zinc/83/57/74/1042835774.db2.gz FTZQKPLQEHOTKN-ZIAGYGMSSA-N 1 2 346.500 3.553 20 0 EHADLO O=C(NCCC1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430866411 1042842541 /nfs/dbraw/zinc/84/25/41/1042842541.db2.gz YUKUKFQGNRTCHK-UHFFFAOYSA-N 1 2 346.862 3.548 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1cc2n(n1)CCCC2 ZINC000663475665 1042909375 /nfs/dbraw/zinc/90/93/75/1042909375.db2.gz RSCJEURIHQTJSK-YJBOKZPZSA-N 1 2 347.466 3.743 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055255622 1042946489 /nfs/dbraw/zinc/94/64/89/1042946489.db2.gz OZMXWFBTQXOFIG-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055255622 1042946495 /nfs/dbraw/zinc/94/64/95/1042946495.db2.gz OZMXWFBTQXOFIG-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO c1coc(C[NH+]2CCN(Cc3csc(C4CCCC4)n3)CC2)c1 ZINC000343959412 1042954174 /nfs/dbraw/zinc/95/41/74/1042954174.db2.gz DKQIMSMUOQNAKO-UHFFFAOYSA-N 1 2 331.485 3.712 20 0 EHADLO CCSCc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000278927274 1042973051 /nfs/dbraw/zinc/97/30/51/1042973051.db2.gz DENSPHWSJNLNFP-UHFFFAOYSA-N 1 2 347.509 3.636 20 0 EHADLO CCSCc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000278927274 1042973057 /nfs/dbraw/zinc/97/30/57/1042973057.db2.gz DENSPHWSJNLNFP-UHFFFAOYSA-N 1 2 347.509 3.636 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1)C1CC1 ZINC000066985761 1043024300 /nfs/dbraw/zinc/02/43/00/1043024300.db2.gz FRCJKXYKFZTPDP-UHFFFAOYSA-N 1 2 346.434 3.747 20 0 EHADLO Cc1cc2cc(CNC(=O)c3cc(C)ccc3-n3cc[nH+]c3)ccc2[nH]1 ZINC000344005141 1043090141 /nfs/dbraw/zinc/09/01/41/1043090141.db2.gz FBIVSMPZDKQTFM-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@H](C)[S@]1=O ZINC000348554472 1043194999 /nfs/dbraw/zinc/19/49/99/1043194999.db2.gz YHQXYSFIWVRJMJ-OLJPZDALSA-N 1 2 335.444 3.817 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@H](C)[S@]1=O ZINC000348554472 1043195007 /nfs/dbraw/zinc/19/50/07/1043195007.db2.gz YHQXYSFIWVRJMJ-OLJPZDALSA-N 1 2 335.444 3.817 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000344115105 1043278651 /nfs/dbraw/zinc/27/86/51/1043278651.db2.gz YLQHJLDDFVDRSH-HXUWFJFHSA-N 1 2 338.451 3.825 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000344115105 1043278662 /nfs/dbraw/zinc/27/86/62/1043278662.db2.gz YLQHJLDDFVDRSH-HXUWFJFHSA-N 1 2 338.451 3.825 20 0 EHADLO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125974 1043301078 /nfs/dbraw/zinc/30/10/78/1043301078.db2.gz WJWCLDBLNCOVHP-ZFWWWQNUSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125974 1043301092 /nfs/dbraw/zinc/30/10/92/1043301092.db2.gz WJWCLDBLNCOVHP-ZFWWWQNUSA-N 1 2 328.460 3.748 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc4[nH]cnc4cc3F)c2C1 ZINC000644856878 1043330438 /nfs/dbraw/zinc/33/04/38/1043330438.db2.gz BIBVNMGYYYXSEH-UHFFFAOYSA-N 1 2 338.386 3.680 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000893641030 1043391932 /nfs/dbraw/zinc/39/19/32/1043391932.db2.gz RLLOJRJWYULXGF-AWEZNQCLSA-N 1 2 336.785 3.569 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[S@](=O)c1ccccc1 ZINC000344234259 1043480938 /nfs/dbraw/zinc/48/09/38/1043480938.db2.gz JEJKZEGTGCMOQT-ZLOXQWCVSA-N 1 2 335.419 3.692 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000344234259 1043480946 /nfs/dbraw/zinc/48/09/46/1043480946.db2.gz JEJKZEGTGCMOQT-ZLOXQWCVSA-N 1 2 335.419 3.692 20 0 EHADLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000344238961 1043505561 /nfs/dbraw/zinc/50/55/61/1043505561.db2.gz PXJSQNVDMXBLKO-UHFFFAOYSA-N 1 2 338.329 3.685 20 0 EHADLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000344238961 1043505567 /nfs/dbraw/zinc/50/55/67/1043505567.db2.gz PXJSQNVDMXBLKO-UHFFFAOYSA-N 1 2 338.329 3.685 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279206713 1043564406 /nfs/dbraw/zinc/56/44/06/1043564406.db2.gz KOKCQJLAUXEKPY-AWEZNQCLSA-N 1 2 329.469 3.683 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2C)c1C ZINC000007681079 1043749350 /nfs/dbraw/zinc/74/93/50/1043749350.db2.gz JJJVZGYTGJDFGK-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C)c1C ZINC000007681079 1043749366 /nfs/dbraw/zinc/74/93/66/1043749366.db2.gz JJJVZGYTGJDFGK-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000344381186 1043873424 /nfs/dbraw/zinc/87/34/24/1043873424.db2.gz ROKPXTKJNVMGJR-UHFFFAOYSA-N 1 2 337.423 3.538 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)n1 ZINC000344381186 1043873446 /nfs/dbraw/zinc/87/34/46/1043873446.db2.gz ROKPXTKJNVMGJR-UHFFFAOYSA-N 1 2 337.423 3.538 20 0 EHADLO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3Cl)C2)n1 ZINC001203423977 1043939080 /nfs/dbraw/zinc/93/90/80/1043939080.db2.gz KRUGXGJFYOVHGA-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)n1 ZINC001203423977 1043939092 /nfs/dbraw/zinc/93/90/92/1043939092.db2.gz KRUGXGJFYOVHGA-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO CCC[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000344408218 1043974314 /nfs/dbraw/zinc/97/43/14/1043974314.db2.gz YBNKELMZYSLBJF-MRXNPFEDSA-N 1 2 348.397 3.612 20 0 EHADLO COc1ccc2[nH]c(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000344446807 1044021530 /nfs/dbraw/zinc/02/15/30/1044021530.db2.gz JNNAXGXBAAWTSX-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc(-n2cccc2)c1 ZINC000344483005 1044062379 /nfs/dbraw/zinc/06/23/79/1044062379.db2.gz LEGIVETWEKAJEL-UHFFFAOYSA-N 1 2 349.438 3.886 20 0 EHADLO O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279447116 1044092280 /nfs/dbraw/zinc/09/22/80/1044092280.db2.gz DDBGTAXHHRZCDI-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000096992514 1044113331 /nfs/dbraw/zinc/11/33/31/1044113331.db2.gz OXYVXTXOPFMFLN-RTBURBONSA-N 1 2 342.483 3.696 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 ZINC000344601721 1044178088 /nfs/dbraw/zinc/17/80/88/1044178088.db2.gz FYDQVPJWCQYBLH-LPHOPBHVSA-N 1 2 341.455 3.506 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1Cl ZINC000279557689 1044227888 /nfs/dbraw/zinc/22/78/88/1044227888.db2.gz UYTTZKHMDGGKLJ-BXUZGUMPSA-N 1 2 335.810 3.707 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)S[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000344774279 1044416343 /nfs/dbraw/zinc/41/63/43/1044416343.db2.gz MNMQOLYKHBUSBL-ZIAGYGMSSA-N 1 2 340.920 3.687 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000512294905 1044567326 /nfs/dbraw/zinc/56/73/26/1044567326.db2.gz YQKRTDZBLWHVOQ-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000512294905 1044567333 /nfs/dbraw/zinc/56/73/33/1044567333.db2.gz YQKRTDZBLWHVOQ-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Br)cc[nH+]1 ZINC000112298190 1044598437 /nfs/dbraw/zinc/59/84/37/1044598437.db2.gz JSTCGYZWUIMFBP-NSHDSACASA-N 1 2 335.201 3.559 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cc(C)cc(C)c1 ZINC000614000411 1044652287 /nfs/dbraw/zinc/65/22/87/1044652287.db2.gz MEWVULJEASPCBL-UHFFFAOYSA-N 1 2 327.472 3.544 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(SC)oc1C ZINC000614001484 1044655707 /nfs/dbraw/zinc/65/57/07/1044655707.db2.gz WMJXNAWHEXMZDD-UHFFFAOYSA-N 1 2 335.473 3.621 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000614001570 1044658133 /nfs/dbraw/zinc/65/81/33/1044658133.db2.gz YFGVACNQAYTXNR-GOSISDBHSA-N 1 2 343.446 3.553 20 0 EHADLO Oc1ccc(F)c(C[NH2+]Cc2ccc(Br)s2)c1F ZINC000509737674 1044712164 /nfs/dbraw/zinc/71/21/64/1044712164.db2.gz YOEJOAFMWODOER-UHFFFAOYSA-N 1 2 334.185 3.784 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC(Oc2ccccn2)CC1 ZINC000344945402 1044727715 /nfs/dbraw/zinc/72/77/15/1044727715.db2.gz SYGJPRLYETUWCI-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000279897637 1044819973 /nfs/dbraw/zinc/81/99/73/1044819973.db2.gz VRTZJVWVKPDMLM-OALUTQOASA-N 1 2 325.456 3.538 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ncc(Br)s2)cnn1C(C)C ZINC000866621068 1137370319 /nfs/dbraw/zinc/37/03/19/1137370319.db2.gz YBXWAZKKOXULBV-VIFPVBQESA-N 1 2 343.294 3.842 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ncc(Br)s1 ZINC000270189644 1141189977 /nfs/dbraw/zinc/18/99/77/1141189977.db2.gz HZIAGQBGIYPUJB-CMPLNLGQSA-N 1 2 341.274 3.680 20 0 EHADLO COc1ccc([C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000620363716 1125555608 /nfs/dbraw/zinc/55/56/08/1125555608.db2.gz YCBKDRNEGQOHTO-IERDGZPVSA-N 1 2 349.434 3.749 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000620409543 1125566913 /nfs/dbraw/zinc/56/69/13/1125566913.db2.gz VAHHCBZLULBXOE-UHFFFAOYSA-N 1 2 347.462 3.935 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000266180782 1125703242 /nfs/dbraw/zinc/70/32/42/1125703242.db2.gz GFENFDTZNACPPH-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[NH+]1CCCCCC1 ZINC000154723356 1125751551 /nfs/dbraw/zinc/75/15/51/1125751551.db2.gz MSMDOBGYXQHRBD-SNVBAGLBSA-N 1 2 331.243 3.902 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1sccc1-c1ccccc1 ZINC000154743250 1125753156 /nfs/dbraw/zinc/75/31/56/1125753156.db2.gz GAWFRXNTQFZONB-UHFFFAOYSA-N 1 2 325.437 3.774 20 0 EHADLO c1cn(-c2cccc(-c3nc(-c4ccc5c(c4)CCO5)no3)c2)c[nH+]1 ZINC000154896814 1125764890 /nfs/dbraw/zinc/76/48/90/1125764890.db2.gz WQMQMYNIJJMYOJ-UHFFFAOYSA-N 1 2 330.347 3.524 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000154947743 1125768532 /nfs/dbraw/zinc/76/85/32/1125768532.db2.gz HNFJNXVNIKSIKX-UHFFFAOYSA-N 1 2 341.455 3.757 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000154971222 1125771968 /nfs/dbraw/zinc/77/19/68/1125771968.db2.gz YKZFXOFLDJRPOA-CQSZACIVSA-N 1 2 330.403 3.740 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000155022068 1125776763 /nfs/dbraw/zinc/77/67/63/1125776763.db2.gz XUFQMUCAZISBGX-UHFFFAOYSA-N 1 2 333.435 3.564 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(Cl)nc2)cc1 ZINC000072580842 1126767166 /nfs/dbraw/zinc/76/71/66/1126767166.db2.gz QXGRLUPNCNZRGD-AWEZNQCLSA-N 1 2 345.874 3.736 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(Cl)nc2)cc1 ZINC000072580842 1126767170 /nfs/dbraw/zinc/76/71/70/1126767170.db2.gz QXGRLUPNCNZRGD-AWEZNQCLSA-N 1 2 345.874 3.736 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000336860634 1126812418 /nfs/dbraw/zinc/81/24/18/1126812418.db2.gz SWURLNXQSHFNST-MRXNPFEDSA-N 1 2 335.856 3.521 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000671244076 1126816239 /nfs/dbraw/zinc/81/62/39/1126816239.db2.gz KAPHVQBUWAOUQJ-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000671244076 1126816242 /nfs/dbraw/zinc/81/62/42/1126816242.db2.gz KAPHVQBUWAOUQJ-QGZVFWFLSA-N 1 2 337.427 3.506 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000843395265 1130566893 /nfs/dbraw/zinc/56/68/93/1130566893.db2.gz RZVYZEWKZOGAIM-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000843395265 1130566898 /nfs/dbraw/zinc/56/68/98/1130566898.db2.gz RZVYZEWKZOGAIM-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000339439915 1126844360 /nfs/dbraw/zinc/84/43/60/1126844360.db2.gz ZDDZUHJAPRXEAN-DAYGRLMNSA-N 1 2 345.874 3.825 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)NCc1cccs1 ZINC000175020305 1126865183 /nfs/dbraw/zinc/86/51/83/1126865183.db2.gz GXVGDKDARSFQEY-GHMZBOCLSA-N 1 2 340.851 3.896 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nc(CCC(C)C)no2)C2CC2)cc1 ZINC000175518543 1126872312 /nfs/dbraw/zinc/87/23/12/1126872312.db2.gz GMLWXGMUAFEFIA-LJQANCHMSA-N 1 2 329.444 3.908 20 0 EHADLO Cc1cnc([C@H]([NH2+]Cc2cc(=O)oc3cc(O)ccc23)C2CC2)s1 ZINC000185346989 1126874365 /nfs/dbraw/zinc/87/43/65/1126874365.db2.gz RRFVJUCWWBRTKT-QGZVFWFLSA-N 1 2 342.420 3.504 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000623121677 1126880102 /nfs/dbraw/zinc/88/01/02/1126880102.db2.gz BSNHRQCSVSJCDU-NSHDSACASA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000623121677 1126880108 /nfs/dbraw/zinc/88/01/08/1126880108.db2.gz BSNHRQCSVSJCDU-NSHDSACASA-N 1 2 336.785 3.792 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623232172 1126899743 /nfs/dbraw/zinc/89/97/43/1126899743.db2.gz XHHVWRXMVCXHSU-SGTLLEGYSA-N 1 2 344.842 3.713 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000623277424 1126908382 /nfs/dbraw/zinc/90/83/82/1126908382.db2.gz GTUKMEWZMDDWFC-UHFFFAOYSA-N 1 2 343.446 3.821 20 0 EHADLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCc1nsc2ccccc12 ZINC000623291288 1126911891 /nfs/dbraw/zinc/91/18/91/1126911891.db2.gz GUIRSSFXMLWUGZ-ZDUSSCGKSA-N 1 2 337.448 3.682 20 0 EHADLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCc1nsc2ccccc12 ZINC000623291288 1126911893 /nfs/dbraw/zinc/91/18/93/1126911893.db2.gz GUIRSSFXMLWUGZ-ZDUSSCGKSA-N 1 2 337.448 3.682 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000192717758 1126931577 /nfs/dbraw/zinc/93/15/77/1126931577.db2.gz XCLADHZSSXLYCO-HNNXBMFYSA-N 1 2 339.439 3.740 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918376 1126934206 /nfs/dbraw/zinc/93/42/06/1126934206.db2.gz RTROTQJDJHCKEF-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918376 1126934209 /nfs/dbraw/zinc/93/42/09/1126934209.db2.gz RTROTQJDJHCKEF-DZGCQCFKSA-N 1 2 331.489 3.574 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1OC1CC1 ZINC000623396560 1126943986 /nfs/dbraw/zinc/94/39/86/1126943986.db2.gz WUTZKHMJHKEVMV-UHFFFAOYSA-N 1 2 349.434 3.778 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)c2nccn21 ZINC000623540907 1126981001 /nfs/dbraw/zinc/98/10/01/1126981001.db2.gz NOJVXWHFVUZBGM-GWCFXTLKSA-N 1 2 343.324 3.759 20 0 EHADLO OCC[C@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000623558069 1126985193 /nfs/dbraw/zinc/98/51/93/1126985193.db2.gz PCCMMQKRRUHKCV-ZDUSSCGKSA-N 1 2 344.249 3.863 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2cccnc2N2CCCC2)c1Cl ZINC000623563130 1126986471 /nfs/dbraw/zinc/98/64/71/1126986471.db2.gz OVBSDOSDTHRTRF-UHFFFAOYSA-N 1 2 337.801 3.903 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)nnc1-c1ccccc1 ZINC000178720967 1127028354 /nfs/dbraw/zinc/02/83/54/1127028354.db2.gz LBFSWXHSHNZCMO-GOSISDBHSA-N 1 2 336.414 3.958 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)nnc1-c1ccccc1 ZINC000178720967 1127028359 /nfs/dbraw/zinc/02/83/59/1127028359.db2.gz LBFSWXHSHNZCMO-GOSISDBHSA-N 1 2 336.414 3.958 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000179364716 1127059827 /nfs/dbraw/zinc/05/98/27/1127059827.db2.gz ZPPIGUFRVZXQCX-QGZVFWFLSA-N 1 2 338.517 3.818 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000179364716 1127059831 /nfs/dbraw/zinc/05/98/31/1127059831.db2.gz ZPPIGUFRVZXQCX-QGZVFWFLSA-N 1 2 338.517 3.818 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1OC ZINC000179623254 1127076427 /nfs/dbraw/zinc/07/64/27/1127076427.db2.gz RSHUDAIVERJZIA-GFCCVEGCSA-N 1 2 343.383 3.506 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000179890205 1127097851 /nfs/dbraw/zinc/09/78/51/1127097851.db2.gz NMFAUIFPMSGLAF-AWEZNQCLSA-N 1 2 330.403 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179967742 1127104852 /nfs/dbraw/zinc/10/48/52/1127104852.db2.gz MJQFIHWMYXQTID-ZDUSSCGKSA-N 1 2 338.386 3.841 20 0 EHADLO c1csc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)[nH]n2)c1 ZINC000351087276 1127140166 /nfs/dbraw/zinc/14/01/66/1127140166.db2.gz MZVBIINXBRAIBO-UHFFFAOYSA-N 1 2 334.364 3.503 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)n1 ZINC000623921323 1127217191 /nfs/dbraw/zinc/21/71/91/1127217191.db2.gz SIYULKMGMBCTHH-GWCFXTLKSA-N 1 2 341.274 3.598 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000623925801 1127217723 /nfs/dbraw/zinc/21/77/23/1127217723.db2.gz PHZAGAFXXNIQKL-ZWNOBZJWSA-N 1 2 330.375 3.855 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C12CC(C1)C2 ZINC000624056434 1127239797 /nfs/dbraw/zinc/23/97/97/1127239797.db2.gz AECUFZFEZTYHLN-HBSPSFQMSA-N 1 2 336.838 3.532 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc3n(n2)CCCC3)c(OC)c1 ZINC000624141215 1127260588 /nfs/dbraw/zinc/26/05/88/1127260588.db2.gz KDLIXPXGMJTSIB-UONOGXRCSA-N 1 2 329.444 3.648 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(Br)c1 ZINC000168800692 1131168985 /nfs/dbraw/zinc/16/89/85/1131168985.db2.gz QQMCKDMNRSIKRJ-AWEZNQCLSA-N 1 2 328.250 3.613 20 0 EHADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000168800692 1131168988 /nfs/dbraw/zinc/16/89/88/1131168988.db2.gz QQMCKDMNRSIKRJ-AWEZNQCLSA-N 1 2 328.250 3.613 20 0 EHADLO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000181238637 1127270754 /nfs/dbraw/zinc/27/07/54/1127270754.db2.gz IEPDDHJORJBYFT-YJBOKZPZSA-N 1 2 341.455 3.985 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000181661761 1127288132 /nfs/dbraw/zinc/28/81/32/1127288132.db2.gz LWSQVAHOKVKKHM-SFHVURJKSA-N 1 2 326.371 3.958 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccccc1 ZINC000181676649 1127288811 /nfs/dbraw/zinc/28/88/11/1127288811.db2.gz UPLUZLXGFFZFGN-SFHVURJKSA-N 1 2 326.371 3.958 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(N2CCCC2)c1 ZINC000181866682 1127300427 /nfs/dbraw/zinc/30/04/27/1127300427.db2.gz NLJPWVWXSZAPHA-CQSZACIVSA-N 1 2 338.411 3.781 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000181942091 1127303806 /nfs/dbraw/zinc/30/38/06/1127303806.db2.gz JZJIDBVMBGHALI-KRWDZBQOSA-N 1 2 329.444 3.670 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181885880 1127301474 /nfs/dbraw/zinc/30/14/74/1127301474.db2.gz SPMICCJKVMTWEX-HUUCEWRRSA-N 1 2 344.459 3.618 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182197917 1127316127 /nfs/dbraw/zinc/31/61/27/1127316127.db2.gz BKKGLIVHJXYFNP-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182197917 1127316131 /nfs/dbraw/zinc/31/61/31/1127316131.db2.gz BKKGLIVHJXYFNP-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000182347186 1127324882 /nfs/dbraw/zinc/32/48/82/1127324882.db2.gz INUCOQBOSTWNHL-AWEZNQCLSA-N 1 2 341.386 3.947 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1F ZINC000360111565 1127336918 /nfs/dbraw/zinc/33/69/18/1127336918.db2.gz CVEFICSOPHZJHE-OLZOCXBDSA-N 1 2 332.423 3.564 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnc4n3CCCC4)oc21 ZINC000182660361 1127341902 /nfs/dbraw/zinc/34/19/02/1127341902.db2.gz NGYBKPNDYYXTLL-ZDUSSCGKSA-N 1 2 340.427 3.610 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183046111 1127360507 /nfs/dbraw/zinc/36/05/07/1127360507.db2.gz AWSXQYGOSURBOT-UHFFFAOYSA-N 1 2 345.512 3.990 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183046111 1127360512 /nfs/dbraw/zinc/36/05/12/1127360512.db2.gz AWSXQYGOSURBOT-UHFFFAOYSA-N 1 2 345.512 3.990 20 0 EHADLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184477044 1127405973 /nfs/dbraw/zinc/40/59/73/1127405973.db2.gz XEOCUWLWQQSXKE-GFCCVEGCSA-N 1 2 347.484 3.739 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000184813351 1127413713 /nfs/dbraw/zinc/41/37/13/1127413713.db2.gz ZRNQBYWBRFQUSD-QAPCUYQASA-N 1 2 348.487 3.514 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1Cl)c1nccs1 ZINC000185051736 1127419439 /nfs/dbraw/zinc/41/94/39/1127419439.db2.gz LZFMAZIBEGXRGK-RISCZKNCSA-N 1 2 337.876 3.715 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185334634 1127424866 /nfs/dbraw/zinc/42/48/66/1127424866.db2.gz QYPRFVUETIOISN-HNNXBMFYSA-N 1 2 334.441 3.634 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000654441711 1127438396 /nfs/dbraw/zinc/43/83/96/1127438396.db2.gz YRTKKGTUZQYTKO-JTQLQIEISA-N 1 2 343.374 3.881 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000654441711 1127438398 /nfs/dbraw/zinc/43/83/98/1127438398.db2.gz YRTKKGTUZQYTKO-JTQLQIEISA-N 1 2 343.374 3.881 20 0 EHADLO Cc1cc(NC(=O)c2cc(-n3cccc3)ccc2Cl)c(C)c[nH+]1 ZINC001127733908 1127453836 /nfs/dbraw/zinc/45/38/36/1127453836.db2.gz QOHGJNWJVGGYLS-UHFFFAOYSA-N 1 2 325.799 3.817 20 0 EHADLO CN(C)c1c(Cl)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194568934 1127462896 /nfs/dbraw/zinc/46/28/96/1127462896.db2.gz XLGPFEKPKQWPPS-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1c[nH+]cn1C ZINC000350601568 1127482065 /nfs/dbraw/zinc/48/20/65/1127482065.db2.gz USTAUCMUCPWTOK-UHFFFAOYSA-N 1 2 328.803 3.857 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000764528097 1127505231 /nfs/dbraw/zinc/50/52/31/1127505231.db2.gz MOHGBGHOWDJUAI-UHFFFAOYSA-N 1 2 340.358 3.539 20 0 EHADLO Cc1nc(N[C@@H]2COc3c2ccc(Br)c3Cl)cc[nH+]1 ZINC001168534428 1127547012 /nfs/dbraw/zinc/54/70/12/1127547012.db2.gz QRHVQNZULPMGAW-SNVBAGLBSA-N 1 2 340.608 3.747 20 0 EHADLO C[C@@H]1C[NH+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C[C@H]1C ZINC000765047796 1127569453 /nfs/dbraw/zinc/56/94/53/1127569453.db2.gz BQNTYMKORVWHLL-VXGBXAGGSA-N 1 2 336.892 3.817 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)CSc2ccccc2)c(N(C)C)[nH+]1 ZINC000749997420 1127595986 /nfs/dbraw/zinc/59/59/86/1127595986.db2.gz ZSHGCNRVFWOFJY-CYBMUJFWSA-N 1 2 329.469 3.823 20 0 EHADLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCCCCC1 ZINC001127858990 1127608990 /nfs/dbraw/zinc/60/89/90/1127608990.db2.gz MHZSCZPCUSFMIT-KRWDZBQOSA-N 1 2 344.499 3.608 20 0 EHADLO Cc1ccsc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000014067876 1127647298 /nfs/dbraw/zinc/64/72/98/1127647298.db2.gz RDNBEDWFHXWSDS-KRWDZBQOSA-N 1 2 332.444 3.647 20 0 EHADLO Cc1ccsc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000014067876 1127647299 /nfs/dbraw/zinc/64/72/99/1127647299.db2.gz RDNBEDWFHXWSDS-KRWDZBQOSA-N 1 2 332.444 3.647 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nnc2ccccn21 ZINC000015593877 1127655794 /nfs/dbraw/zinc/65/57/94/1127655794.db2.gz KNQOTKJJOTXQFA-ZDUSSCGKSA-N 1 2 336.370 3.979 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)OCCCO2 ZINC000921535255 1127677641 /nfs/dbraw/zinc/67/76/41/1127677641.db2.gz ZZRJVFCVDPIPMP-ZDUSSCGKSA-N 1 2 330.428 3.984 20 0 EHADLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000024050263 1127701878 /nfs/dbraw/zinc/70/18/78/1127701878.db2.gz RHUBKXXOCXFLJL-IBGZPJMESA-N 1 2 335.407 3.762 20 0 EHADLO O=C(CCc1cncc2ccccc21)OCc1cccc2[nH+]ccn21 ZINC000765609284 1127705496 /nfs/dbraw/zinc/70/54/96/1127705496.db2.gz IDOZGKYJIMQUHX-UHFFFAOYSA-N 1 2 331.375 3.559 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000671586178 1127727496 /nfs/dbraw/zinc/72/74/96/1127727496.db2.gz HNAYAQQXTUIYPH-UHFFFAOYSA-N 1 2 333.435 3.939 20 0 EHADLO Cc1cccc(C)c1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000765701737 1127729697 /nfs/dbraw/zinc/72/96/97/1127729697.db2.gz DEBPLWAVCSDJJC-UHFFFAOYSA-N 1 2 348.450 3.531 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)Sc3nc(N)cc(C)[nH+]3)o2)c1 ZINC000029914569 1127811144 /nfs/dbraw/zinc/81/11/44/1127811144.db2.gz RDRZPASBWUACOB-LLVKDONJSA-N 1 2 327.413 3.579 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccc(F)cc1OC(F)F ZINC001168563915 1127811688 /nfs/dbraw/zinc/81/16/88/1127811688.db2.gz PVUYVQAZSOHFEG-LLVKDONJSA-N 1 2 339.361 3.811 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152890 1127814584 /nfs/dbraw/zinc/81/45/84/1127814584.db2.gz BRXBEJOFLLJIDH-ACJLOTCBSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152890 1127814588 /nfs/dbraw/zinc/81/45/88/1127814588.db2.gz BRXBEJOFLLJIDH-ACJLOTCBSA-N 1 2 342.483 3.672 20 0 EHADLO CCc1nnc(C[NH2+]C2(c3cccc(Br)c3)CCC2)o1 ZINC000104682384 1127892816 /nfs/dbraw/zinc/89/28/16/1127892816.db2.gz TVJAJQACONOUJF-UHFFFAOYSA-N 1 2 336.233 3.564 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(F)cc1Cl ZINC000043262724 1127915255 /nfs/dbraw/zinc/91/52/55/1127915255.db2.gz SQWFWXJCOKKLPW-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043319004 1127917396 /nfs/dbraw/zinc/91/73/96/1127917396.db2.gz CWMLMIVTZXOXID-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO Cc1nc2cccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)c2[nH]1 ZINC000338622595 1127919741 /nfs/dbraw/zinc/91/97/41/1127919741.db2.gz XAXUSUVDGRYJFQ-UHFFFAOYSA-N 1 2 342.830 3.839 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)c2cccc(F)c2n1 ZINC001212354301 1127926253 /nfs/dbraw/zinc/92/62/53/1127926253.db2.gz NBFXEPKVCGYIDO-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019693 1127966565 /nfs/dbraw/zinc/96/65/65/1127966565.db2.gz WRSJXNFLDBFMLT-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc[nH+]1 ZINC000046230219 1127972906 /nfs/dbraw/zinc/97/29/06/1127972906.db2.gz KEKKACTYTHXZOA-UHFFFAOYSA-N 1 2 343.736 3.829 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccs2)C[C@H](C)O1 ZINC000046341624 1127976162 /nfs/dbraw/zinc/97/61/62/1127976162.db2.gz BTNJZTYQRLPWKG-GASCZTMLSA-N 1 2 344.480 3.539 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccs2)C[C@H](C)O1 ZINC000046341624 1127976165 /nfs/dbraw/zinc/97/61/65/1127976165.db2.gz BTNJZTYQRLPWKG-GASCZTMLSA-N 1 2 344.480 3.539 20 0 EHADLO Oc1cc(Cl)c(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212361811 1127991506 /nfs/dbraw/zinc/99/15/06/1127991506.db2.gz AKPUVGNPUUXNQY-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000056444667 1128018990 /nfs/dbraw/zinc/01/89/90/1128018990.db2.gz KXTJSDCHDSEOOP-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000061092201 1128119121 /nfs/dbraw/zinc/11/91/21/1128119121.db2.gz TUKSTJPHRQTQKG-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO COc1ccc(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000061622597 1128127578 /nfs/dbraw/zinc/12/75/78/1128127578.db2.gz NUKAUWYZBNLBKB-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(O)c1 ZINC000282255774 1128134156 /nfs/dbraw/zinc/13/41/56/1128134156.db2.gz JSGZROQEBJYBPH-KFWWJZLASA-N 1 2 327.428 3.574 20 0 EHADLO O=C(C[NH+]1CCC2(CCC2)CC1)Nc1ccccc1Br ZINC000671728567 1128142430 /nfs/dbraw/zinc/14/24/30/1128142430.db2.gz ZTKSCLGKGUAULT-UHFFFAOYSA-N 1 2 337.261 3.654 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3csc(C)c3)CC2)s1 ZINC000671733021 1128158323 /nfs/dbraw/zinc/15/83/23/1128158323.db2.gz DMOQCSVUBKEPIG-UHFFFAOYSA-N 1 2 334.510 3.638 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000064352813 1128165702 /nfs/dbraw/zinc/16/57/02/1128165702.db2.gz KECXPMZLWJJGAU-PKOBYXMFSA-N 1 2 336.545 3.504 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCCOCC1CC1 ZINC000065226787 1128187188 /nfs/dbraw/zinc/18/71/88/1128187188.db2.gz QTNXCRSCFJPWDQ-UHFFFAOYSA-N 1 2 328.412 3.640 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000671749345 1128198799 /nfs/dbraw/zinc/19/87/99/1128198799.db2.gz MTRAYYKXSDRPCO-QGZVFWFLSA-N 1 2 336.439 3.585 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425480 1128189202 /nfs/dbraw/zinc/18/92/02/1128189202.db2.gz JGRPMFCOXXNDCK-NEPJUHHUSA-N 1 2 335.835 3.950 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425480 1128189206 /nfs/dbraw/zinc/18/92/06/1128189206.db2.gz JGRPMFCOXXNDCK-NEPJUHHUSA-N 1 2 335.835 3.950 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000065603132 1128195441 /nfs/dbraw/zinc/19/54/41/1128195441.db2.gz MSBDZBMFRCWAAK-UHFFFAOYSA-N 1 2 340.467 3.648 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000065603132 1128195444 /nfs/dbraw/zinc/19/54/44/1128195444.db2.gz MSBDZBMFRCWAAK-UHFFFAOYSA-N 1 2 340.467 3.648 20 0 EHADLO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000671760529 1128244905 /nfs/dbraw/zinc/24/49/05/1128244905.db2.gz ZYJDEFZADBPADE-ISVAXAHUSA-N 1 2 332.306 3.596 20 0 EHADLO Cc1cc(F)ccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067658006 1128245852 /nfs/dbraw/zinc/24/58/52/1128245852.db2.gz WJYZALBYFAUVFM-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@H](c3ccccn3)C1)nc1ccccc12 ZINC000624379549 1128258272 /nfs/dbraw/zinc/25/82/72/1128258272.db2.gz WBTXFGZVJTXTLJ-HNNXBMFYSA-N 1 2 329.407 3.662 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000068192282 1128261540 /nfs/dbraw/zinc/26/15/40/1128261540.db2.gz JRWNMQVEQGDHLK-UHFFFAOYSA-N 1 2 325.343 3.843 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000066435317 1128217999 /nfs/dbraw/zinc/21/79/99/1128217999.db2.gz KECXPMZLWJJGAU-HKUYNNGSSA-N 1 2 336.545 3.504 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH+]c12 ZINC000671757239 1128236153 /nfs/dbraw/zinc/23/61/53/1128236153.db2.gz DZXHHFWIYDCAQY-BHIYHBOVSA-N 1 2 339.483 3.908 20 0 EHADLO CCSc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000068672327 1128271933 /nfs/dbraw/zinc/27/19/33/1128271933.db2.gz TVWBKBQOXNKHBP-UHFFFAOYSA-N 1 2 342.399 3.771 20 0 EHADLO Cc1nc(-c2ccccn2)nc(NCCCCNc2cccc[nH+]2)c1C ZINC000068698626 1128272351 /nfs/dbraw/zinc/27/23/51/1128272351.db2.gz IBRYQSVNHJTBQK-UHFFFAOYSA-N 1 2 348.454 3.855 20 0 EHADLO Cn1c(C[NH2+]Cc2cc(F)ccc2OC(F)F)nc2ccccc21 ZINC001649107588 1128275316 /nfs/dbraw/zinc/27/53/16/1128275316.db2.gz VCADTSVFAMHEHP-UHFFFAOYSA-N 1 2 335.329 3.604 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000073741265 1128328223 /nfs/dbraw/zinc/32/82/23/1128328223.db2.gz HXMJLAAOFQMIHJ-OAHLLOKOSA-N 1 2 330.432 3.518 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000073809624 1128329141 /nfs/dbraw/zinc/32/91/41/1128329141.db2.gz JKDXAOXJZDEYCT-LJQANCHMSA-N 1 2 340.471 3.909 20 0 EHADLO O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073857722 1128329727 /nfs/dbraw/zinc/32/97/27/1128329727.db2.gz CPZXADRUSQRNIS-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000073970969 1128332409 /nfs/dbraw/zinc/33/24/09/1128332409.db2.gz NZIYBJIPQPFWHY-UHFFFAOYSA-N 1 2 337.448 3.960 20 0 EHADLO COc1cccc([C@H](C)CC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000084539154 1128343861 /nfs/dbraw/zinc/34/38/61/1128343861.db2.gz XJDYCWZBQRULAT-CYBMUJFWSA-N 1 2 342.439 3.526 20 0 EHADLO CC(C)O[C@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000765814239 1128432037 /nfs/dbraw/zinc/43/20/37/1128432037.db2.gz XAXHKWRCUQBJRV-OALUTQOASA-N 1 2 332.488 3.652 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc2)[nH+]c1C ZINC000921659869 1128439275 /nfs/dbraw/zinc/43/92/75/1128439275.db2.gz PIKXHGGCRSGEDO-UHFFFAOYSA-N 1 2 343.427 3.754 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn(CC(C)C)c3)cc2)[nH+]c1C ZINC000921661338 1128439854 /nfs/dbraw/zinc/43/98/54/1128439854.db2.gz GNVPXKSOHVYREC-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO CC[C@@H]1C[C@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCO1 ZINC000921663869 1128441752 /nfs/dbraw/zinc/44/17/52/1128441752.db2.gz TWDIPCPTFYNBPG-NVXWUHKLSA-N 1 2 327.428 3.837 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000347627808 1128447708 /nfs/dbraw/zinc/44/77/08/1128447708.db2.gz HGYHXWQSTKTRKQ-UHFFFAOYSA-N 1 2 337.398 3.578 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000347627808 1128447709 /nfs/dbraw/zinc/44/77/09/1128447709.db2.gz HGYHXWQSTKTRKQ-UHFFFAOYSA-N 1 2 337.398 3.578 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn4c(n3)C[C@@H](C)CC4)cc2)[nH+]c1C ZINC000921669362 1128448872 /nfs/dbraw/zinc/44/88/72/1128448872.db2.gz QYAHHFFDXVLDDE-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](Cc3cccc(F)c3)C3CC3)c2c1 ZINC000058529361 1128458817 /nfs/dbraw/zinc/45/88/17/1128458817.db2.gz JCIAGFXGTYBRET-UHFFFAOYSA-N 1 2 326.371 3.664 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](Cc3cccc(F)c3)C3CC3)c2c1 ZINC000058529361 1128458820 /nfs/dbraw/zinc/45/88/20/1128458820.db2.gz JCIAGFXGTYBRET-UHFFFAOYSA-N 1 2 326.371 3.664 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccc(C)o1 ZINC000347634111 1128483943 /nfs/dbraw/zinc/48/39/43/1128483943.db2.gz IRGOUNCJTJRXRQ-IRXDYDNUSA-N 1 2 344.455 3.818 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2coc(C3CC3)n2)no1)c1cccc(Cl)c1 ZINC000624722279 1128498536 /nfs/dbraw/zinc/49/85/36/1128498536.db2.gz ZBJSKNZSNQATFY-CQSZACIVSA-N 1 2 344.802 3.906 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)c(C)[nH+]1 ZINC001272822489 1128511378 /nfs/dbraw/zinc/51/13/78/1128511378.db2.gz LVADWAUVHKYCEQ-ZDUSSCGKSA-N 1 2 334.341 3.841 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265717153 1128522154 /nfs/dbraw/zinc/52/21/54/1128522154.db2.gz XMUNQLIXKXSKPW-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CC[C@@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636585 1128529552 /nfs/dbraw/zinc/52/95/52/1128529552.db2.gz QJJXOWDGNBASFI-KMFMINBZSA-N 1 2 325.399 3.892 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([N@H+]3CC[C@@H](C)C(F)(F)C3)CCO2)cc1 ZINC001168636585 1128529553 /nfs/dbraw/zinc/52/95/53/1128529553.db2.gz QJJXOWDGNBASFI-KMFMINBZSA-N 1 2 325.399 3.892 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001168641748 1128565264 /nfs/dbraw/zinc/56/52/64/1128565264.db2.gz BJGDILNQOXWLGL-LHSJRXKWSA-N 1 2 343.279 3.598 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2c(Cl)cccc2Cl)CC1 ZINC000301507384 1128594628 /nfs/dbraw/zinc/59/46/28/1128594628.db2.gz MAECQVLBTUAGDI-NSHDSACASA-N 1 2 347.311 3.638 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000057373671 1128632997 /nfs/dbraw/zinc/63/29/97/1128632997.db2.gz VRTMHRILXOEXMB-KRWDZBQOSA-N 1 2 346.450 3.889 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000508499900 1128665621 /nfs/dbraw/zinc/66/56/21/1128665621.db2.gz ZYEFPLPINUIXIK-UHFFFAOYSA-N 1 2 349.837 3.763 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000508499900 1128665623 /nfs/dbraw/zinc/66/56/23/1128665623.db2.gz ZYEFPLPINUIXIK-UHFFFAOYSA-N 1 2 349.837 3.763 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@@H](O)c1c(F)cccc1Cl ZINC000921807749 1128780567 /nfs/dbraw/zinc/78/05/67/1128780567.db2.gz TXJNGEVDBHTRDS-MGPLVRAMSA-N 1 2 340.826 3.976 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)CCCCC2)c1 ZINC000672148869 1128800359 /nfs/dbraw/zinc/80/03/59/1128800359.db2.gz ZOJJVZJKWBWWCQ-GOSISDBHSA-N 1 2 337.467 3.525 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338742071 1128813417 /nfs/dbraw/zinc/81/34/17/1128813417.db2.gz HIPKMMMOZBPTTI-HZPDHXFCSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338742072 1128813727 /nfs/dbraw/zinc/81/37/27/1128813727.db2.gz HIPKMMMOZBPTTI-JKSUJKDBSA-N 1 2 329.831 3.573 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(C2CCCC2)n1 ZINC000921862657 1128853576 /nfs/dbraw/zinc/85/35/76/1128853576.db2.gz KHEXWMWXSATPDN-UHFFFAOYSA-N 1 2 327.476 3.679 20 0 EHADLO COc1c[nH+]c(N[C@H]2CCC(F)(F)C2)nc1N[C@H]1CCC(F)(F)C1 ZINC000672238114 1128871592 /nfs/dbraw/zinc/87/15/92/1128871592.db2.gz XEJFHEAIGFHPRH-UWVGGRQHSA-N 1 2 348.344 3.685 20 0 EHADLO CC(C)CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000354967925 1128886962 /nfs/dbraw/zinc/88/69/62/1128886962.db2.gz OWYJTVJCMYXRCX-UHFFFAOYSA-N 1 2 325.456 3.511 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+]Cc2nc(-c3cccs3)oc2C)c1 ZINC001648866156 1120057802 /nfs/dbraw/zinc/05/78/02/1120057802.db2.gz MFJQMCYCRNVUEN-UHFFFAOYSA-N 1 2 341.436 3.960 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[S@]1=O ZINC000185278875 1120406694 /nfs/dbraw/zinc/40/66/94/1120406694.db2.gz CKLLGCKIIUQBDO-HSZRJFAPSA-N 1 2 348.537 3.933 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[S@]1=O ZINC000185278875 1120406695 /nfs/dbraw/zinc/40/66/95/1120406695.db2.gz CKLLGCKIIUQBDO-HSZRJFAPSA-N 1 2 348.537 3.933 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000185582436 1120420345 /nfs/dbraw/zinc/42/03/45/1120420345.db2.gz WVKPVYUIRDBHLF-INIZCTEOSA-N 1 2 341.455 3.630 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000185582436 1120420349 /nfs/dbraw/zinc/42/03/49/1120420349.db2.gz WVKPVYUIRDBHLF-INIZCTEOSA-N 1 2 341.455 3.630 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2-c1ccccc1 ZINC000185660437 1120423989 /nfs/dbraw/zinc/42/39/89/1120423989.db2.gz PCITYGOZUROVPI-KRWDZBQOSA-N 1 2 343.430 3.702 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ncsc1C(F)(F)F ZINC000338766767 1128915388 /nfs/dbraw/zinc/91/53/88/1128915388.db2.gz PYBUFBMQZUCUJQ-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185794749 1120429491 /nfs/dbraw/zinc/42/94/91/1120429491.db2.gz PQYYTRYPRDHAIT-UHFFFAOYSA-N 1 2 332.879 3.967 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc(Cl)c1 ZINC000189136333 1120542959 /nfs/dbraw/zinc/54/29/59/1120542959.db2.gz NUTGPPJODUVPBY-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO C[N@H+](Cc1ccc(Br)c(Cl)c1)Cc1cnccn1 ZINC000189516168 1120591837 /nfs/dbraw/zinc/59/18/37/1120591837.db2.gz JASDXUUTVYXZIO-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccc(Br)c(Cl)c1)Cc1cnccn1 ZINC000189516168 1120591840 /nfs/dbraw/zinc/59/18/40/1120591840.db2.gz JASDXUUTVYXZIO-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190159402 1120627982 /nfs/dbraw/zinc/62/79/82/1120627982.db2.gz SJQDKJNOVNEEMH-NSHDSACASA-N 1 2 335.391 3.945 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190159402 1120627984 /nfs/dbraw/zinc/62/79/84/1120627984.db2.gz SJQDKJNOVNEEMH-NSHDSACASA-N 1 2 335.391 3.945 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241370 1120665276 /nfs/dbraw/zinc/66/52/76/1120665276.db2.gz CZOMBTMEGBSXKK-HNNXBMFYSA-N 1 2 342.405 3.842 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241370 1120665277 /nfs/dbraw/zinc/66/52/77/1120665277.db2.gz CZOMBTMEGBSXKK-HNNXBMFYSA-N 1 2 342.405 3.842 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191234628 1120665426 /nfs/dbraw/zinc/66/54/26/1120665426.db2.gz VZKIFRKKQQVJIF-UHFFFAOYSA-N 1 2 330.394 3.746 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191234628 1120665428 /nfs/dbraw/zinc/66/54/28/1120665428.db2.gz VZKIFRKKQQVJIF-UHFFFAOYSA-N 1 2 330.394 3.746 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1csc(Nc2ccccc2)n1 ZINC000494669518 1120717090 /nfs/dbraw/zinc/71/70/90/1120717090.db2.gz BYXHNCQKKMCOBV-HNNXBMFYSA-N 1 2 345.493 3.502 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccccc1Cl ZINC000192251782 1120727935 /nfs/dbraw/zinc/72/79/35/1120727935.db2.gz UORZYEANOVFSCC-UHFFFAOYSA-N 1 2 333.863 3.580 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000192246946 1120728049 /nfs/dbraw/zinc/72/80/49/1120728049.db2.gz ZSWPEMPDXADILH-UHFFFAOYSA-N 1 2 343.446 3.555 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000194053711 1120819079 /nfs/dbraw/zinc/81/90/79/1120819079.db2.gz LYWGOJCSCAXXKG-LPHOPBHVSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2)on1 ZINC000076712121 1128943649 /nfs/dbraw/zinc/94/36/49/1128943649.db2.gz CDTFVKRGGYWKNG-BBRMVZONSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2)on1 ZINC000076712121 1128943653 /nfs/dbraw/zinc/94/36/53/1128943653.db2.gz CDTFVKRGGYWKNG-BBRMVZONSA-N 1 2 347.846 3.651 20 0 EHADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)C(C)C ZINC000194459234 1120845094 /nfs/dbraw/zinc/84/50/94/1120845094.db2.gz LZROAXPPBBIZJP-INIZCTEOSA-N 1 2 328.460 3.507 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000194556704 1120848984 /nfs/dbraw/zinc/84/89/84/1120848984.db2.gz ZJACLUFCWLIRTR-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO C/C(=C\c1ccccc1)CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000494813713 1120859934 /nfs/dbraw/zinc/85/99/34/1120859934.db2.gz QSDDOBKOQZGTMZ-BMRADRMJSA-N 1 2 338.455 3.629 20 0 EHADLO COC[C@@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000542517394 1120880385 /nfs/dbraw/zinc/88/03/85/1120880385.db2.gz HVXMUGYQGDCNFF-GOSISDBHSA-N 1 2 325.456 3.742 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)COCc1ccccc1 ZINC000494915361 1120900127 /nfs/dbraw/zinc/90/01/27/1120900127.db2.gz OFRBZOKPOFFOMD-VQIMIIECSA-N 1 2 342.487 3.869 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000914572862 1120901038 /nfs/dbraw/zinc/90/10/38/1120901038.db2.gz JLMTWJZLZYRIHL-AAEUAGOBSA-N 1 2 329.469 3.706 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000914572862 1120901040 /nfs/dbraw/zinc/90/10/40/1120901040.db2.gz JLMTWJZLZYRIHL-AAEUAGOBSA-N 1 2 329.469 3.706 20 0 EHADLO COc1ccc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c(Cl)c1 ZINC000495050852 1120938402 /nfs/dbraw/zinc/93/84/02/1120938402.db2.gz VRBNYJZHKDQTNT-KRWDZBQOSA-N 1 2 348.878 3.920 20 0 EHADLO O=C(CCC1CCCCC1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495148392 1120969307 /nfs/dbraw/zinc/96/93/07/1120969307.db2.gz CMYIZTSQIHWPEQ-QPJJXVBHSA-N 1 2 341.499 3.600 20 0 EHADLO CCSc1cc(C[NH2+]Cc2ncc(Br)s2)ccn1 ZINC000495178579 1120977529 /nfs/dbraw/zinc/97/75/29/1120977529.db2.gz RUKLLEDZKTVOOJ-UHFFFAOYSA-N 1 2 344.303 3.702 20 0 EHADLO CCSc1cc(C[NH2+]Cc2nccn2Cc2ccccc2)ccn1 ZINC000495183027 1120981616 /nfs/dbraw/zinc/98/16/16/1120981616.db2.gz WSIPZVFQQNKBKG-UHFFFAOYSA-N 1 2 338.480 3.728 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nccn1C(F)F ZINC000076850358 1128956742 /nfs/dbraw/zinc/95/67/42/1128956742.db2.gz XFCXHALFQMWPOA-UHFFFAOYSA-N 1 2 329.778 3.833 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nccn1C(F)F ZINC000076850358 1128956746 /nfs/dbraw/zinc/95/67/46/1128956746.db2.gz XFCXHALFQMWPOA-UHFFFAOYSA-N 1 2 329.778 3.833 20 0 EHADLO Cc1ccc(C)c(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1 ZINC000762052114 1121080240 /nfs/dbraw/zinc/08/02/40/1121080240.db2.gz YOKYUUROANZEMI-CQSZACIVSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1ccc(C)c(C[N@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1 ZINC000762052114 1121080253 /nfs/dbraw/zinc/08/02/53/1121080253.db2.gz YOKYUUROANZEMI-CQSZACIVSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1C ZINC000762140903 1121128311 /nfs/dbraw/zinc/12/83/11/1121128311.db2.gz WZCPEJHTLNNGBQ-GFCCVEGCSA-N 1 2 332.473 3.742 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1C ZINC000762140903 1121128315 /nfs/dbraw/zinc/12/83/15/1121128315.db2.gz WZCPEJHTLNNGBQ-GFCCVEGCSA-N 1 2 332.473 3.742 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000303520054 1121155217 /nfs/dbraw/zinc/15/52/17/1121155217.db2.gz YUVXDZAUGJWYAM-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000303520054 1121155222 /nfs/dbraw/zinc/15/52/22/1121155222.db2.gz YUVXDZAUGJWYAM-JFIYKMOQSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cncc(Cl)n2)CC1 ZINC000053557475 1121176061 /nfs/dbraw/zinc/17/60/61/1121176061.db2.gz FIYIAQJEXLRMIH-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)OCc2ccccc2)n1 ZINC000915144519 1121217963 /nfs/dbraw/zinc/21/79/63/1121217963.db2.gz OHVLBYLFQLGQPX-CQSZACIVSA-N 1 2 347.484 3.529 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)Cn1cnc(-c2ccccn2)n1 ZINC000762482707 1121322371 /nfs/dbraw/zinc/32/23/71/1121322371.db2.gz OLCQQOVZOWPOPO-UHFFFAOYSA-N 1 2 333.848 3.535 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)Cn1cnc(-c2ccccn2)n1 ZINC000762482707 1121322379 /nfs/dbraw/zinc/32/23/79/1121322379.db2.gz OLCQQOVZOWPOPO-UHFFFAOYSA-N 1 2 333.848 3.535 20 0 EHADLO COc1ccc2oc([C@@H](C)Nc3[nH+]cnc4c3cnn4C)c(C)c2c1 ZINC000171676285 1121412679 /nfs/dbraw/zinc/41/26/79/1121412679.db2.gz VQDSPZTWSXNDCI-LLVKDONJSA-N 1 2 337.383 3.600 20 0 EHADLO Oc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC000315822030 1121517180 /nfs/dbraw/zinc/51/71/80/1121517180.db2.gz GUROIBYXVCCFNR-UHFFFAOYSA-N 1 2 348.244 3.762 20 0 EHADLO CC(C)C(C)(C)SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000762978392 1121638901 /nfs/dbraw/zinc/63/89/01/1121638901.db2.gz GCOPLFVBHBRMLM-UHFFFAOYSA-N 1 2 341.546 3.845 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(Cl)c(Br)c2)n1 ZINC000393514333 1121643285 /nfs/dbraw/zinc/64/32/85/1121643285.db2.gz NDMHSMORKREPPW-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099771 1121699552 /nfs/dbraw/zinc/69/95/52/1121699552.db2.gz BGMJXRVEPWNSBG-OAHLLOKOSA-N 1 2 326.843 3.922 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cccc(Oc2ccccc2)c1 ZINC000041529893 1121702544 /nfs/dbraw/zinc/70/25/44/1121702544.db2.gz XIKBZUFIARGFGQ-UHFFFAOYSA-N 1 2 335.407 3.886 20 0 EHADLO OCCNc1[nH+]c2ccccc2n1Cc1ccccc1C(F)(F)F ZINC000054847725 1121783269 /nfs/dbraw/zinc/78/32/69/1121783269.db2.gz LLZKIHOXBDWPGN-UHFFFAOYSA-N 1 2 335.329 3.508 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccccc2SC)c1C ZINC000347463000 1121863373 /nfs/dbraw/zinc/86/33/73/1121863373.db2.gz UWQPZDRVGNPGBY-UHFFFAOYSA-N 1 2 344.480 3.630 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC2CCC(C)(C)CC2)C1 ZINC000444125561 1121866174 /nfs/dbraw/zinc/86/61/74/1121866174.db2.gz GTFXOHZZAVAGJP-MRXNPFEDSA-N 1 2 332.492 3.526 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000055968160 1121901423 /nfs/dbraw/zinc/90/14/23/1121901423.db2.gz BODGMSNXTXEAMT-MRXNPFEDSA-N 1 2 325.437 3.874 20 0 EHADLO C[C@@H](CNC(=O)CSc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000153388214 1121949146 /nfs/dbraw/zinc/94/91/46/1121949146.db2.gz PBVVGWHCSLNUEU-HNNXBMFYSA-N 1 2 345.512 3.725 20 0 EHADLO Fc1ccccc1Cc1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763332694 1121962478 /nfs/dbraw/zinc/96/24/78/1121962478.db2.gz NEZUSEHBAZKROF-AWEZNQCLSA-N 1 2 333.432 3.625 20 0 EHADLO Fc1ccccc1Cc1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763332694 1121962488 /nfs/dbraw/zinc/96/24/88/1121962488.db2.gz NEZUSEHBAZKROF-AWEZNQCLSA-N 1 2 333.432 3.625 20 0 EHADLO S=c1nc(-c2ccc(Cl)cc2)[nH]n1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763332011 1121962591 /nfs/dbraw/zinc/96/25/91/1121962591.db2.gz LJSPMUHMABGBKC-CYBMUJFWSA-N 1 2 334.876 3.950 20 0 EHADLO S=c1nc(-c2ccc(Cl)cc2)[nH]n1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763332011 1121962593 /nfs/dbraw/zinc/96/25/93/1121962593.db2.gz LJSPMUHMABGBKC-CYBMUJFWSA-N 1 2 334.876 3.950 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc(-c2ccncc2)n1C1CC1 ZINC000763334639 1121968032 /nfs/dbraw/zinc/96/80/32/1121968032.db2.gz UOCXFBQKXQNEKN-OAHLLOKOSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](C3CC3)C2)nc(-c2ccncc2)n1C1CC1 ZINC000763334639 1121968034 /nfs/dbraw/zinc/96/80/34/1121968034.db2.gz UOCXFBQKXQNEKN-OAHLLOKOSA-N 1 2 341.484 3.500 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444199077 1121980224 /nfs/dbraw/zinc/98/02/24/1121980224.db2.gz UUPVDGOVBZTHQV-BRWVUGGUSA-N 1 2 332.492 3.526 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000496467705 1122091012 /nfs/dbraw/zinc/09/10/12/1122091012.db2.gz AYKPDRXMBIJTEV-UHFFFAOYSA-N 1 2 348.340 3.507 20 0 EHADLO CC1=CCC[N@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000496757826 1122172977 /nfs/dbraw/zinc/17/29/77/1122172977.db2.gz KWOZYSFQYRJXDE-UHFFFAOYSA-N 1 2 349.500 3.588 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000496757826 1122172980 /nfs/dbraw/zinc/17/29/80/1122172980.db2.gz KWOZYSFQYRJXDE-UHFFFAOYSA-N 1 2 349.500 3.588 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)nc1C ZINC000755019504 1122232877 /nfs/dbraw/zinc/23/28/77/1122232877.db2.gz KDZDRYMTVQLCPS-SNVBAGLBSA-N 1 2 339.848 3.527 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(OCCC(C)C)c1 ZINC000125462087 1122317483 /nfs/dbraw/zinc/31/74/83/1122317483.db2.gz WEEVXGVLSXICIO-FQEVSTJZSA-N 1 2 340.467 3.736 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000125489832 1122317923 /nfs/dbraw/zinc/31/79/23/1122317923.db2.gz KEPUJCQVHXKUBW-RBUKOAKNSA-N 1 2 338.430 3.531 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000126297828 1122400152 /nfs/dbraw/zinc/40/01/52/1122400152.db2.gz PSUMJXKDPNTWRL-WMZOPIPTSA-N 1 2 344.499 3.982 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127344821 1122478360 /nfs/dbraw/zinc/47/83/60/1122478360.db2.gz GQQNCZUVOUPIIJ-FQEVSTJZSA-N 1 2 327.424 3.543 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127344821 1122478363 /nfs/dbraw/zinc/47/83/63/1122478363.db2.gz GQQNCZUVOUPIIJ-FQEVSTJZSA-N 1 2 327.424 3.543 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCC(OCc3ccccc3)CC2)c1C ZINC000067226827 1122506246 /nfs/dbraw/zinc/50/62/46/1122506246.db2.gz YEXTWXUGKOFFHO-UHFFFAOYSA-N 1 2 340.467 3.888 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(F)c3F)cn2c1 ZINC000127909539 1122515006 /nfs/dbraw/zinc/51/50/06/1122515006.db2.gz SFOOLWVVYJXWEP-UHFFFAOYSA-N 1 2 347.390 3.793 20 0 EHADLO CSc1nc2ccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)cc2s1 ZINC000917360634 1122589275 /nfs/dbraw/zinc/58/92/75/1122589275.db2.gz RIPGJPNBOLJVOY-SNVBAGLBSA-N 1 2 332.454 3.805 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000497605781 1122607092 /nfs/dbraw/zinc/60/70/92/1122607092.db2.gz QPUVDNDGLCCVAL-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000917939653 1122714544 /nfs/dbraw/zinc/71/45/44/1122714544.db2.gz QJPCBKMNKCZSMJ-JEJJNBGPSA-N 1 2 338.442 3.945 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C(C)C)cc1 ZINC000069067559 1122749754 /nfs/dbraw/zinc/74/97/54/1122749754.db2.gz VEDCGETXTCEIBF-MGPUTAFESA-N 1 2 344.455 3.795 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C(C)C)cc1 ZINC000069067559 1122749760 /nfs/dbraw/zinc/74/97/60/1122749760.db2.gz VEDCGETXTCEIBF-MGPUTAFESA-N 1 2 344.455 3.795 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000069070117 1122749956 /nfs/dbraw/zinc/74/99/56/1122749956.db2.gz LXRWKMVWOAJAOM-LLVKDONJSA-N 1 2 337.217 3.674 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000069070117 1122749960 /nfs/dbraw/zinc/74/99/60/1122749960.db2.gz LXRWKMVWOAJAOM-LLVKDONJSA-N 1 2 337.217 3.674 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000129321271 1122763604 /nfs/dbraw/zinc/76/36/04/1122763604.db2.gz JBGDEIGNMFFVCT-JKSUJKDBSA-N 1 2 328.481 3.757 20 0 EHADLO C[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000556076535 1122803840 /nfs/dbraw/zinc/80/38/40/1122803840.db2.gz MBUPDFOUEKESFU-SJKOYZFVSA-N 1 2 328.366 3.566 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)no1 ZINC000556241021 1122891604 /nfs/dbraw/zinc/89/16/04/1122891604.db2.gz MGPBCSQLGDGBQB-JXFKEZNVSA-N 1 2 349.434 3.884 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+]Cc3ccn(C)n3)c(C(C)(C)C)n2)cc1 ZINC000498380442 1122897633 /nfs/dbraw/zinc/89/76/33/1122897633.db2.gz IAYIBOWYQAPBFU-UHFFFAOYSA-N 1 2 337.471 3.502 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738925 1122902128 /nfs/dbraw/zinc/90/21/28/1122902128.db2.gz BCBSXHTURNERAY-WCQYABFASA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000918738925 1122902134 /nfs/dbraw/zinc/90/21/34/1122902134.db2.gz BCBSXHTURNERAY-WCQYABFASA-N 1 2 328.815 3.751 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)C1(c2cccc(Cl)c2)CCC1 ZINC000154832409 1122927854 /nfs/dbraw/zinc/92/78/54/1122927854.db2.gz NUHZQKGYBWDJSF-UHFFFAOYSA-N 1 2 336.222 3.953 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556383299 1122960410 /nfs/dbraw/zinc/96/04/10/1122960410.db2.gz XANIPXQYJDLMLV-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO Clc1cc(Br)cnc1C[NH+]1CCC2(CCOC2)CC1 ZINC000660145542 1122968258 /nfs/dbraw/zinc/96/82/58/1122968258.db2.gz XVPSKUUVFMXPBI-UHFFFAOYSA-N 1 2 345.668 3.500 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cccc5c4O[C@@H](C)C5)n3)[nH+]c12 ZINC000556420442 1122971378 /nfs/dbraw/zinc/97/13/78/1122971378.db2.gz RBCCDLHVMQTMSN-ZDUSSCGKSA-N 1 2 346.390 3.607 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000130612769 1122973998 /nfs/dbraw/zinc/97/39/98/1122973998.db2.gz LXUUMSOOMMQXNT-QRWLVFNGSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000130612769 1122974002 /nfs/dbraw/zinc/97/40/02/1122974002.db2.gz LXUUMSOOMMQXNT-QRWLVFNGSA-N 1 2 327.424 3.666 20 0 EHADLO CCc1ccc([C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000130627304 1122975213 /nfs/dbraw/zinc/97/52/13/1122975213.db2.gz ADQFSLFQKPSASV-HKUYNNGSSA-N 1 2 325.456 3.521 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000556455529 1122982883 /nfs/dbraw/zinc/98/28/83/1122982883.db2.gz RDFOBMOKEIZBOC-CABCVRRESA-N 1 2 336.439 3.903 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000130984730 1123027780 /nfs/dbraw/zinc/02/77/80/1123027780.db2.gz WTSIENGBHHRUSN-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000130984730 1123027785 /nfs/dbraw/zinc/02/77/85/1123027785.db2.gz WTSIENGBHHRUSN-SFHVURJKSA-N 1 2 342.439 3.764 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000498728466 1123044881 /nfs/dbraw/zinc/04/48/81/1123044881.db2.gz FAXUWUFCPKAOBH-CRAIPNDOSA-N 1 2 346.434 3.788 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000556620465 1123063423 /nfs/dbraw/zinc/06/34/23/1123063423.db2.gz HVDCEBZCIADGPA-RBUKOAKNSA-N 1 2 348.450 3.717 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](CCCC(C)C)Cc2ccc(C)o2)on1 ZINC000919673459 1123112945 /nfs/dbraw/zinc/11/29/45/1123112945.db2.gz YTXLIVNEWFXDKX-UHFFFAOYSA-N 1 2 333.432 3.761 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](CCCC(C)C)Cc2ccc(C)o2)on1 ZINC000919673459 1123112947 /nfs/dbraw/zinc/11/29/47/1123112947.db2.gz YTXLIVNEWFXDKX-UHFFFAOYSA-N 1 2 333.432 3.761 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000131481927 1123119361 /nfs/dbraw/zinc/11/93/61/1123119361.db2.gz CNTLWNSJYBBHDD-FXAWDEMLSA-N 1 2 345.446 3.962 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC000556857131 1123154630 /nfs/dbraw/zinc/15/46/30/1123154630.db2.gz ZNAVMVNROZDHLW-UHFFFAOYSA-N 1 2 348.450 3.961 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000072862693 1123170350 /nfs/dbraw/zinc/17/03/50/1123170350.db2.gz UKZCTJSWBMWGKI-QWHCGFSZSA-N 1 2 326.893 3.803 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000072862693 1123170352 /nfs/dbraw/zinc/17/03/52/1123170352.db2.gz UKZCTJSWBMWGKI-QWHCGFSZSA-N 1 2 326.893 3.803 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000073628874 1123213311 /nfs/dbraw/zinc/21/33/11/1123213311.db2.gz UYHYCIUWXACGGP-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccc(Cl)cc1 ZINC000132599315 1123256080 /nfs/dbraw/zinc/25/60/80/1123256080.db2.gz HHBIENPVEAIYPJ-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccc(Cl)cc1 ZINC000132599315 1123256083 /nfs/dbraw/zinc/25/60/83/1123256083.db2.gz HHBIENPVEAIYPJ-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO CC(C)C[C@H](c1nc(CO[C@H]2CCCC[C@@H]2C)no1)n1cc[nH+]c1 ZINC000923869874 1123259735 /nfs/dbraw/zinc/25/97/35/1123259735.db2.gz BMMKUNIGVJSBTO-XHSDSOJGSA-N 1 2 332.448 3.997 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000132791160 1123301099 /nfs/dbraw/zinc/30/10/99/1123301099.db2.gz MDWFPKYAVQFRNZ-IHRRRGAJSA-N 1 2 329.469 3.550 20 0 EHADLO C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000920228726 1123337457 /nfs/dbraw/zinc/33/74/57/1123337457.db2.gz NCPOTNDVBXIYNC-RVDMUPIBSA-N 1 2 335.382 3.731 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CCCCCCC1 ZINC000920239926 1123346032 /nfs/dbraw/zinc/34/60/32/1123346032.db2.gz PZYQCPPDCIKWBV-UHFFFAOYSA-N 1 2 344.434 3.924 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920313300 1123356845 /nfs/dbraw/zinc/35/68/45/1123356845.db2.gz VAVPTHQTEZACRA-CZUORRHYSA-N 1 2 346.475 3.554 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021126 1129116495 /nfs/dbraw/zinc/11/64/95/1129116495.db2.gz IIFNYPDYGPMPOE-XQAQDONZSA-N 1 2 342.405 3.648 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021126 1129116497 /nfs/dbraw/zinc/11/64/97/1129116497.db2.gz IIFNYPDYGPMPOE-XQAQDONZSA-N 1 2 342.405 3.648 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2scnc2Cl)CC1 ZINC001137823995 1129118382 /nfs/dbraw/zinc/11/83/82/1129118382.db2.gz WXPXLZUXIDPEBA-UHFFFAOYSA-N 1 2 338.860 3.849 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cnn(C(C)(C)C)c2)C2CC2)c1 ZINC000133419408 1123393096 /nfs/dbraw/zinc/39/30/96/1123393096.db2.gz IDSYOBYOPQTRNB-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cnn(C(C)(C)C)c2)C2CC2)c1 ZINC000133419408 1123393101 /nfs/dbraw/zinc/39/31/01/1123393101.db2.gz IDSYOBYOPQTRNB-UHFFFAOYSA-N 1 2 343.471 3.820 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000075608907 1123406733 /nfs/dbraw/zinc/40/67/33/1123406733.db2.gz UBSVOMZVPYQIIQ-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000075608907 1123406736 /nfs/dbraw/zinc/40/67/36/1123406736.db2.gz UBSVOMZVPYQIIQ-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 ZINC000352906789 1123407129 /nfs/dbraw/zinc/40/71/29/1123407129.db2.gz DJHXKGBSRXFLOO-LLVKDONJSA-N 1 2 336.798 3.624 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC(C)(C)/C=C\Cl)c1ccccc1 ZINC000920841886 1123431028 /nfs/dbraw/zinc/43/10/28/1123431028.db2.gz GWYZOBWVTISHOT-KVPUOBJLSA-N 1 2 346.862 3.534 20 0 EHADLO O=C(Cc1cccc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921149949 1123472251 /nfs/dbraw/zinc/47/22/51/1123472251.db2.gz AORMDFBWLPPSJE-UHFFFAOYSA-N 1 2 341.414 3.884 20 0 EHADLO CC(C)COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921148222 1123477041 /nfs/dbraw/zinc/47/70/41/1123477041.db2.gz BPCZGZUEQGELHZ-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c1C ZINC000134082453 1123489680 /nfs/dbraw/zinc/48/96/80/1123489680.db2.gz UWSRFPZBJLSEFC-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(F)cc3C2)c1C ZINC000134082453 1123489682 /nfs/dbraw/zinc/48/96/82/1123489682.db2.gz UWSRFPZBJLSEFC-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC)n1 ZINC000134488832 1123526790 /nfs/dbraw/zinc/52/67/90/1123526790.db2.gz MSZLBUDNFKWMQV-GDBMZVCRSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)C[C@H](O)CC)n1 ZINC000134488832 1123526797 /nfs/dbraw/zinc/52/67/97/1123526797.db2.gz MSZLBUDNFKWMQV-GDBMZVCRSA-N 1 2 349.500 3.657 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)oc1C ZINC000134495096 1123527596 /nfs/dbraw/zinc/52/75/96/1123527596.db2.gz HGCWXCXSSGFLNC-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)oc1C ZINC000134495096 1123527601 /nfs/dbraw/zinc/52/76/01/1123527601.db2.gz HGCWXCXSSGFLNC-NSHDSACASA-N 1 2 333.457 3.837 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000077183882 1123537240 /nfs/dbraw/zinc/53/72/40/1123537240.db2.gz LFBOQOOANVXEOU-OLZOCXBDSA-N 1 2 346.368 3.619 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000077183882 1123537244 /nfs/dbraw/zinc/53/72/44/1123537244.db2.gz LFBOQOOANVXEOU-OLZOCXBDSA-N 1 2 346.368 3.619 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134630298 1123538239 /nfs/dbraw/zinc/53/82/39/1123538239.db2.gz LXZXEPLRIZAPLS-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134630298 1123538243 /nfs/dbraw/zinc/53/82/43/1123538243.db2.gz LXZXEPLRIZAPLS-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000543031406 1129131620 /nfs/dbraw/zinc/13/16/20/1129131620.db2.gz DUEQWJKLHUFFIN-HUBLWGQQSA-N 1 2 327.346 3.651 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000064441005 1123618670 /nfs/dbraw/zinc/61/86/70/1123618670.db2.gz WIZWOMMEPTVJRG-AWEZNQCLSA-N 1 2 344.846 3.863 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N(CC1CC1)C1CCCCC1 ZINC000170839835 1123647691 /nfs/dbraw/zinc/64/76/91/1123647691.db2.gz FCIPPJSRGXMSIW-UHFFFAOYSA-N 1 2 330.476 3.638 20 0 EHADLO CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000079255930 1123681399 /nfs/dbraw/zinc/68/13/99/1123681399.db2.gz YAJUHDOLDCMOFT-LJQANCHMSA-N 1 2 337.467 3.882 20 0 EHADLO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000136303056 1123684116 /nfs/dbraw/zinc/68/41/16/1123684116.db2.gz FOMMZRPWYVTCKV-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000136303056 1123684126 /nfs/dbraw/zinc/68/41/26/1123684126.db2.gz FOMMZRPWYVTCKV-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000136303056 1123684127 /nfs/dbraw/zinc/68/41/27/1123684127.db2.gz FOMMZRPWYVTCKV-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000079450461 1123695412 /nfs/dbraw/zinc/69/54/12/1123695412.db2.gz PPCUDSRFTZVFGX-APWZRJJASA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000079500542 1123699134 /nfs/dbraw/zinc/69/91/34/1123699134.db2.gz JTIRIMRDONYPIP-OAQYLSRUSA-N 1 2 347.462 3.987 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000137088036 1123749611 /nfs/dbraw/zinc/74/96/11/1123749611.db2.gz HHXZFKZBGOFOPH-UZUQRXQVSA-N 1 2 333.453 3.501 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000137088036 1123749612 /nfs/dbraw/zinc/74/96/12/1123749612.db2.gz HHXZFKZBGOFOPH-UZUQRXQVSA-N 1 2 333.453 3.501 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000615335197 1123783111 /nfs/dbraw/zinc/78/31/11/1123783111.db2.gz PNUFOFGLMVXDJI-HUUCEWRRSA-N 1 2 346.421 3.671 20 0 EHADLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179752869 1123842022 /nfs/dbraw/zinc/84/20/22/1123842022.db2.gz HAHPAKKKXZVXQM-UHFFFAOYSA-N 1 2 341.842 3.630 20 0 EHADLO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179752869 1123842029 /nfs/dbraw/zinc/84/20/29/1123842029.db2.gz HAHPAKKKXZVXQM-UHFFFAOYSA-N 1 2 341.842 3.630 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245554214 1123872779 /nfs/dbraw/zinc/87/27/79/1123872779.db2.gz AMTHVVWYFRSZDR-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245554214 1123872786 /nfs/dbraw/zinc/87/27/86/1123872786.db2.gz AMTHVVWYFRSZDR-YWZLYKJASA-N 1 2 327.399 3.861 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245725873 1123937016 /nfs/dbraw/zinc/93/70/16/1123937016.db2.gz XHXCSTWCINEMIW-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245725873 1123937019 /nfs/dbraw/zinc/93/70/19/1123937019.db2.gz XHXCSTWCINEMIW-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1 ZINC000616102349 1123943920 /nfs/dbraw/zinc/94/39/20/1123943920.db2.gz JDWSSRNXJZDYNX-CQSZACIVSA-N 1 2 331.847 3.788 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000616192984 1123960359 /nfs/dbraw/zinc/96/03/59/1123960359.db2.gz RDYRRRWLHLATGQ-LMMKCTJWSA-N 1 2 335.451 3.668 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000245867425 1123964942 /nfs/dbraw/zinc/96/49/42/1123964942.db2.gz LWDINXZYPGBGEA-LSDHHAIUSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000245867425 1123964945 /nfs/dbraw/zinc/96/49/45/1123964945.db2.gz LWDINXZYPGBGEA-LSDHHAIUSA-N 1 2 348.418 3.969 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000246116889 1124025736 /nfs/dbraw/zinc/02/57/36/1124025736.db2.gz ACQBUVIAJUFEJN-DGFSRKRXSA-N 1 2 327.819 3.826 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000180645540 1124037580 /nfs/dbraw/zinc/03/75/80/1124037580.db2.gz KSMJETUHKNMIGH-SUMWQHHRSA-N 1 2 344.459 3.635 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543052858 1129165713 /nfs/dbraw/zinc/16/57/13/1129165713.db2.gz VNVDFZLWEWIHMI-MSOLQXFVSA-N 1 2 332.492 3.664 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246763601 1124548087 /nfs/dbraw/zinc/54/80/87/1124548087.db2.gz OWVAWPORWTXDSX-DQYPLSBCSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246763601 1124548091 /nfs/dbraw/zinc/54/80/91/1124548091.db2.gz OWVAWPORWTXDSX-DQYPLSBCSA-N 1 2 336.838 3.697 20 0 EHADLO COc1cccc(OCC[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246782032 1124549644 /nfs/dbraw/zinc/54/96/44/1124549644.db2.gz RUUIQPLZLCSSNT-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO COc1cccc(OCC[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000246782032 1124549647 /nfs/dbraw/zinc/54/96/47/1124549647.db2.gz RUUIQPLZLCSSNT-KDOFPFPSSA-N 1 2 333.453 3.598 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000246803474 1124551185 /nfs/dbraw/zinc/55/11/85/1124551185.db2.gz DTQGAVPUCQSPKP-WKILWMFISA-N 1 2 342.443 3.662 20 0 EHADLO O=C(Oc1ccc(N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181182863 1124626137 /nfs/dbraw/zinc/62/61/37/1124626137.db2.gz JSZPRSMETJOSFG-UHFFFAOYSA-N 1 2 333.391 3.692 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000617548516 1124640994 /nfs/dbraw/zinc/64/09/94/1124640994.db2.gz ALONTGDYVYJOBD-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000617548516 1124640998 /nfs/dbraw/zinc/64/09/98/1124640998.db2.gz ALONTGDYVYJOBD-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C[C@@H]1C ZINC000249110320 1124739524 /nfs/dbraw/zinc/73/95/24/1124739524.db2.gz QZEARMHPOCLRCX-XJKSGUPXSA-N 1 2 345.468 3.518 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C[C@@H]1C ZINC000249110320 1124739532 /nfs/dbraw/zinc/73/95/32/1124739532.db2.gz QZEARMHPOCLRCX-XJKSGUPXSA-N 1 2 345.468 3.518 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000181316646 1124753870 /nfs/dbraw/zinc/75/38/70/1124753870.db2.gz VTDFNPCCKKUHSO-CYBMUJFWSA-N 1 2 338.427 3.553 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000181316646 1124753874 /nfs/dbraw/zinc/75/38/74/1124753874.db2.gz VTDFNPCCKKUHSO-CYBMUJFWSA-N 1 2 338.427 3.553 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181330531 1124761227 /nfs/dbraw/zinc/76/12/27/1124761227.db2.gz DWILVCWXSVFOOI-CYBMUJFWSA-N 1 2 338.427 3.992 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nc(C(F)F)n(C)c1=S ZINC000181330531 1124761232 /nfs/dbraw/zinc/76/12/32/1124761232.db2.gz DWILVCWXSVFOOI-CYBMUJFWSA-N 1 2 338.427 3.992 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251918522 1124954423 /nfs/dbraw/zinc/95/44/23/1124954423.db2.gz SGCZZAXGFBYEEB-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251918522 1124954429 /nfs/dbraw/zinc/95/44/29/1124954429.db2.gz SGCZZAXGFBYEEB-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CC(C)Oc1ccc(C[NH2+]Cc2occc2Br)cn1 ZINC000735320829 1131331939 /nfs/dbraw/zinc/33/19/39/1131331939.db2.gz OUDTVVRBCPYCOY-UHFFFAOYSA-N 1 2 325.206 3.514 20 0 EHADLO CC(C)([NH2+]Cc1occc1Br)C(=O)Nc1ccccc1 ZINC000735321617 1131331971 /nfs/dbraw/zinc/33/19/71/1131331971.db2.gz ZKZLSJKZGATPIW-UHFFFAOYSA-N 1 2 337.217 3.549 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(F)cn1 ZINC000763520364 1125262200 /nfs/dbraw/zinc/26/22/00/1125262200.db2.gz DBKLIKQCWXYJMN-UHFFFAOYSA-N 1 2 344.821 3.717 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000093760312 1125303235 /nfs/dbraw/zinc/30/32/35/1125303235.db2.gz NRTPAIDDJBXQSC-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000093760312 1125303238 /nfs/dbraw/zinc/30/32/38/1125303238.db2.gz NRTPAIDDJBXQSC-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000182497910 1125317049 /nfs/dbraw/zinc/31/70/49/1125317049.db2.gz WAZWAZOSDHOOLX-ZRDIBKRKSA-N 1 2 325.368 3.957 20 0 EHADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763542983 1125330311 /nfs/dbraw/zinc/33/03/11/1125330311.db2.gz IAWMNOFADWSGMM-RBFDBLARSA-N 1 2 333.303 3.809 20 0 EHADLO Cc1cc([C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(O)cc1Cl ZINC000619380114 1125343412 /nfs/dbraw/zinc/34/34/12/1125343412.db2.gz RWRAAEUFDBCQNU-KGLIPLIRSA-N 1 2 347.846 3.518 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000182659950 1125350922 /nfs/dbraw/zinc/35/09/22/1125350922.db2.gz XEYLTSKYLNFREE-UHFFFAOYSA-N 1 2 346.736 3.628 20 0 EHADLO C[NH+](C)c1ccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000182696338 1125353572 /nfs/dbraw/zinc/35/35/72/1125353572.db2.gz NJCIHJQRNJFNMO-OAHLLOKOSA-N 1 2 333.476 3.954 20 0 EHADLO CN(C)c1ccc([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000182696338 1125353573 /nfs/dbraw/zinc/35/35/73/1125353573.db2.gz NJCIHJQRNJFNMO-OAHLLOKOSA-N 1 2 333.476 3.954 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000681948870 1129200076 /nfs/dbraw/zinc/20/00/76/1129200076.db2.gz JYYZATVACCICMN-GOSISDBHSA-N 1 2 340.471 3.509 20 0 EHADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(Cl)c1C ZINC000543095078 1129215645 /nfs/dbraw/zinc/21/56/45/1129215645.db2.gz JEUOWULMKFHEJQ-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(Cl)c1C ZINC000543095078 1129215647 /nfs/dbraw/zinc/21/56/47/1129215647.db2.gz JEUOWULMKFHEJQ-UHFFFAOYSA-N 1 2 335.860 3.654 20 0 EHADLO C[N@H+](CCCC(=O)c1cccnc1)Cc1occc1Br ZINC001143130437 1129217058 /nfs/dbraw/zinc/21/70/58/1129217058.db2.gz KHUQAUPNFBHAKE-UHFFFAOYSA-N 1 2 337.217 3.532 20 0 EHADLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1occc1Br ZINC001143130437 1129217061 /nfs/dbraw/zinc/21/70/61/1129217061.db2.gz KHUQAUPNFBHAKE-UHFFFAOYSA-N 1 2 337.217 3.532 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cs1 ZINC000066899258 1129221398 /nfs/dbraw/zinc/22/13/98/1129221398.db2.gz WEOGPMNQABXXIV-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cs1 ZINC000066899258 1129221399 /nfs/dbraw/zinc/22/13/99/1129221399.db2.gz WEOGPMNQABXXIV-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO O=C(CC/C=C\c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000255899880 1129223179 /nfs/dbraw/zinc/22/31/79/1129223179.db2.gz YYNNRMROQGGNPY-WMZJFQQLSA-N 1 2 335.451 3.660 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2cc(Cl)ccc2[nH]1 ZINC000067743853 1129302635 /nfs/dbraw/zinc/30/26/35/1129302635.db2.gz DFKUJBOZDGWMLW-UHFFFAOYSA-N 1 2 339.826 3.567 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000079876623 1129303434 /nfs/dbraw/zinc/30/34/34/1129303434.db2.gz QWIRIIHUDHNUDX-GOSISDBHSA-N 1 2 340.471 3.727 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265833807 1129305431 /nfs/dbraw/zinc/30/54/31/1129305431.db2.gz DNLKVLQCKDNHLX-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265833807 1129305436 /nfs/dbraw/zinc/30/54/36/1129305436.db2.gz DNLKVLQCKDNHLX-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO c1ccc(Oc2cccc(C[NH2+]Cc3nnc(C4CC4)s3)c2)nc1 ZINC000922183377 1129306597 /nfs/dbraw/zinc/30/65/97/1129306597.db2.gz CTMKIDQGUBVLAW-UHFFFAOYSA-N 1 2 338.436 3.893 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000079949216 1129310228 /nfs/dbraw/zinc/31/02/28/1129310228.db2.gz LZUOAAJBVOJQOW-UHFFFAOYSA-N 1 2 331.362 3.765 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000067969323 1129327763 /nfs/dbraw/zinc/32/77/63/1129327763.db2.gz IGUSPXIMPHPFQD-MRXNPFEDSA-N 1 2 337.467 3.664 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC3CC3)C3CCCCC3)[nH+]c12 ZINC000068013380 1129332868 /nfs/dbraw/zinc/33/28/68/1129332868.db2.gz VZCMPLHOUPWOKX-UHFFFAOYSA-N 1 2 325.456 3.757 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000922219435 1129372523 /nfs/dbraw/zinc/37/25/23/1129372523.db2.gz VRYGUULMCXDAFI-KRWDZBQOSA-N 1 2 340.858 3.851 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316539 1129413116 /nfs/dbraw/zinc/41/31/16/1129413116.db2.gz LTHSTWPDFJILHI-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO Cc1cccc(CCC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081318515 1129413675 /nfs/dbraw/zinc/41/36/75/1129413675.db2.gz UJWLJSLOAKFDBJ-FQEVSTJZSA-N 1 2 347.462 3.761 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000657674044 1129459502 /nfs/dbraw/zinc/45/95/02/1129459502.db2.gz XKJVORLITJLSJT-CYBMUJFWSA-N 1 2 348.418 3.705 20 0 EHADLO Cc1cccc(C[NH2+]Cc2nn(C)cc2C(F)F)c1Br ZINC000922317415 1129462876 /nfs/dbraw/zinc/46/28/76/1129462876.db2.gz NOVBBKMGHSUTRW-UHFFFAOYSA-N 1 2 344.203 3.718 20 0 EHADLO C[C@H]1Cc2cc(C[NH2+]Cc3noc4c3CC(C)(C)CC4)ccc2O1 ZINC000922324176 1129467493 /nfs/dbraw/zinc/46/74/93/1129467493.db2.gz RQCXEXKRKIRKAG-ZDUSSCGKSA-N 1 2 326.440 3.803 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1cccc(C(=O)N(C)C)c1 ZINC000922328356 1129472328 /nfs/dbraw/zinc/47/23/28/1129472328.db2.gz HMFAROYETRKDEE-UHFFFAOYSA-N 1 2 336.439 3.931 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000543482697 1129516755 /nfs/dbraw/zinc/51/67/55/1129516755.db2.gz MZILCERYXOKVQT-IAGOWNOFSA-N 1 2 342.418 3.770 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000543482697 1129516759 /nfs/dbraw/zinc/51/67/59/1129516759.db2.gz MZILCERYXOKVQT-IAGOWNOFSA-N 1 2 342.418 3.770 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1C ZINC000624895970 1129536958 /nfs/dbraw/zinc/53/69/58/1129536958.db2.gz QJMRMMXBXJYUAH-ZWKOTPCHSA-N 1 2 338.451 3.778 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922473798 1129545303 /nfs/dbraw/zinc/54/53/03/1129545303.db2.gz YBBZUBXGNLBTHZ-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC000922515544 1129559945 /nfs/dbraw/zinc/55/99/45/1129559945.db2.gz CIKXMBWAJXUAMA-INIZCTEOSA-N 1 2 346.862 3.551 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922524241 1129562011 /nfs/dbraw/zinc/56/20/11/1129562011.db2.gz CETTZUSXBCEAGD-PXNSSMCTSA-N 1 2 337.398 3.947 20 0 EHADLO CN(c1ccccc1)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cn1 ZINC000922579212 1129579935 /nfs/dbraw/zinc/57/99/35/1129579935.db2.gz QGISAULNLJUYMZ-FQEVSTJZSA-N 1 2 345.450 3.880 20 0 EHADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)OCc2ccc(N)[nH+]c2)cc1 ZINC000922611319 1129597585 /nfs/dbraw/zinc/59/75/85/1129597585.db2.gz ATTQEQBTSODEOO-UHFFFAOYSA-N 1 2 340.423 3.705 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000508967308 1129597968 /nfs/dbraw/zinc/59/79/68/1129597968.db2.gz QSGCGDUZEOEGRL-WNJRYGEDSA-N 1 2 327.424 3.903 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000508967308 1129597971 /nfs/dbraw/zinc/59/79/71/1129597971.db2.gz QSGCGDUZEOEGRL-WNJRYGEDSA-N 1 2 327.424 3.903 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CC1(CCC1)O2 ZINC000922645729 1129611147 /nfs/dbraw/zinc/61/11/47/1129611147.db2.gz OQEDDIWBCOMABO-AWEZNQCLSA-N 1 2 349.228 3.973 20 0 EHADLO CSc1cc(C)ccc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000673604034 1129614617 /nfs/dbraw/zinc/61/46/17/1129614617.db2.gz XMVREMPIZNRIKZ-UHFFFAOYSA-N 1 2 338.480 3.896 20 0 EHADLO O=C(CCc1ccsc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282390685 1129686868 /nfs/dbraw/zinc/68/68/68/1129686868.db2.gz RLUMSUSGHUEUGH-INIZCTEOSA-N 1 2 343.496 3.620 20 0 EHADLO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000390655425 1129707277 /nfs/dbraw/zinc/70/72/77/1129707277.db2.gz OQNIWSSBKLGJFK-HQJQHLMTSA-N 1 2 349.066 3.805 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282408944 1129716292 /nfs/dbraw/zinc/71/62/92/1129716292.db2.gz SLZJAXBATLDEFH-AWEZNQCLSA-N 1 2 329.469 3.609 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086371987 1129725425 /nfs/dbraw/zinc/72/54/25/1129725425.db2.gz FZULCAFFGVWGNG-HNNXBMFYSA-N 1 2 326.444 3.591 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000429057231 1129728930 /nfs/dbraw/zinc/72/89/30/1129728930.db2.gz YJQJUUGKGGTCAA-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000429057231 1129728933 /nfs/dbraw/zinc/72/89/33/1129728933.db2.gz YJQJUUGKGGTCAA-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625242810 1129782388 /nfs/dbraw/zinc/78/23/88/1129782388.db2.gz WFXZSDLIVHEUKQ-NSHDSACASA-N 1 2 346.843 3.624 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334349 1129829768 /nfs/dbraw/zinc/82/97/68/1129829768.db2.gz QBHJAJIZACJENM-DLBZAZTESA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334349 1129829773 /nfs/dbraw/zinc/82/97/73/1129829773.db2.gz QBHJAJIZACJENM-DLBZAZTESA-N 1 2 327.827 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C)c(Cl)c3)[nH+]c12 ZINC000673757481 1129831785 /nfs/dbraw/zinc/83/17/85/1129831785.db2.gz ASRHDENSZPTSEM-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(Cl)c3F)[nH+]c12 ZINC000673758885 1129835629 /nfs/dbraw/zinc/83/56/29/1129835629.db2.gz VMVTVPMDDWTHFS-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)CCCC(C)C)[nH+]c12 ZINC000673767378 1129840410 /nfs/dbraw/zinc/84/04/10/1129840410.db2.gz GXXUOODCRNUHJD-MRXNPFEDSA-N 1 2 330.476 3.699 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3CC(C)(C)C)[nH+]c12 ZINC000673780603 1129842138 /nfs/dbraw/zinc/84/21/38/1129842138.db2.gz ZJGAKLBBFPWJSU-KRWDZBQOSA-N 1 2 342.487 3.795 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776558 1129844163 /nfs/dbraw/zinc/84/41/63/1129844163.db2.gz IBNIPLBICHTYPQ-YJBOKZPZSA-N 1 2 342.487 3.795 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429135592 1129849074 /nfs/dbraw/zinc/84/90/74/1129849074.db2.gz ONQROPVKYOGXHH-HNNXBMFYSA-N 1 2 326.440 3.591 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429135592 1129849076 /nfs/dbraw/zinc/84/90/76/1129849076.db2.gz ONQROPVKYOGXHH-HNNXBMFYSA-N 1 2 326.440 3.591 20 0 EHADLO c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)no1 ZINC000673885719 1129895718 /nfs/dbraw/zinc/89/57/18/1129895718.db2.gz KMQFQEZHSYMHPH-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(Br)cs1 ZINC000429160626 1129902449 /nfs/dbraw/zinc/90/24/49/1129902449.db2.gz SVYMMZVJHJEOEO-LBPRGKRZSA-N 1 2 334.279 3.530 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000429160626 1129902453 /nfs/dbraw/zinc/90/24/53/1129902453.db2.gz SVYMMZVJHJEOEO-LBPRGKRZSA-N 1 2 334.279 3.530 20 0 EHADLO COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2noc(C3CCC3)n2)cc1 ZINC000625513057 1129911671 /nfs/dbraw/zinc/91/16/71/1129911671.db2.gz PACYJFJDWHGMJV-KRWDZBQOSA-N 1 2 341.455 3.943 20 0 EHADLO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2noc(C3CCC3)n2)cc1 ZINC000625513057 1129911674 /nfs/dbraw/zinc/91/16/74/1129911674.db2.gz PACYJFJDWHGMJV-KRWDZBQOSA-N 1 2 341.455 3.943 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625647163 1129965053 /nfs/dbraw/zinc/96/50/53/1129965053.db2.gz LYNJPBZPAWPVKU-OUAUKWLOSA-N 1 2 332.341 3.515 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625647163 1129965055 /nfs/dbraw/zinc/96/50/55/1129965055.db2.gz LYNJPBZPAWPVKU-OUAUKWLOSA-N 1 2 332.341 3.515 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654704 1129967124 /nfs/dbraw/zinc/96/71/24/1129967124.db2.gz PSQZDTXOTLTVPY-RYUDHWBXSA-N 1 2 325.378 3.918 20 0 EHADLO Cc1cscc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674097541 1130003261 /nfs/dbraw/zinc/00/32/61/1130003261.db2.gz IDZCYMZJSWKDAO-MRXNPFEDSA-N 1 2 325.437 3.504 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000429226939 1130077228 /nfs/dbraw/zinc/07/72/28/1130077228.db2.gz CIPTVVOENBZMRN-ZDUSSCGKSA-N 1 2 331.460 3.870 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000429226939 1130077234 /nfs/dbraw/zinc/07/72/34/1130077234.db2.gz CIPTVVOENBZMRN-ZDUSSCGKSA-N 1 2 331.460 3.870 20 0 EHADLO CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccccc1 ZINC000172417557 1130131850 /nfs/dbraw/zinc/13/18/50/1130131850.db2.gz KOAWYRKDWOBDPC-HXUWFJFHSA-N 1 2 338.451 3.537 20 0 EHADLO COCC[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000674862949 1130211829 /nfs/dbraw/zinc/21/18/29/1130211829.db2.gz CICJCJAENXJUEY-LLVKDONJSA-N 1 2 337.261 3.714 20 0 EHADLO COCC[C@@H](C)[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000674862949 1130211836 /nfs/dbraw/zinc/21/18/36/1130211836.db2.gz CICJCJAENXJUEY-LLVKDONJSA-N 1 2 337.261 3.714 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)nc1 ZINC000674866898 1130212131 /nfs/dbraw/zinc/21/21/31/1130212131.db2.gz XRLGHMWZKAMSTJ-LJQANCHMSA-N 1 2 336.439 3.704 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)nc1 ZINC000674866898 1130212136 /nfs/dbraw/zinc/21/21/36/1130212136.db2.gz XRLGHMWZKAMSTJ-LJQANCHMSA-N 1 2 336.439 3.704 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000675103035 1130253263 /nfs/dbraw/zinc/25/32/63/1130253263.db2.gz GJHKKIHFQTUOFK-SZVBFZGTSA-N 1 2 338.455 3.735 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000173652902 1130274247 /nfs/dbraw/zinc/27/42/47/1130274247.db2.gz RXYWPRMXJHEBKH-WMLDXEAASA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H]3c3cnn(C)c3)o2)cc1 ZINC000173652902 1130274250 /nfs/dbraw/zinc/27/42/50/1130274250.db2.gz RXYWPRMXJHEBKH-WMLDXEAASA-N 1 2 337.427 3.677 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675369690 1130330112 /nfs/dbraw/zinc/33/01/12/1130330112.db2.gz IRTXHPKTJCBRDI-UHFFFAOYSA-N 1 2 328.347 3.906 20 0 EHADLO Cc1nc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548958 1130426185 /nfs/dbraw/zinc/42/61/85/1130426185.db2.gz BISSPFQKRWVONN-UWVGGRQHSA-N 1 2 327.272 3.579 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000675776972 1130476475 /nfs/dbraw/zinc/47/64/75/1130476475.db2.gz SXYOBHJXWRGEIY-ZNMIVQPWSA-N 1 2 338.377 3.852 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1sccc1Br ZINC000675926466 1130504858 /nfs/dbraw/zinc/50/48/58/1130504858.db2.gz QTGLEEQCGAWFRX-MRVPVSSYSA-N 1 2 346.319 3.884 20 0 EHADLO CC(C)([NH2+]Cc1ncc(-c2cccs2)o1)C(=O)Nc1ccccc1 ZINC000675972134 1130513468 /nfs/dbraw/zinc/51/34/68/1130513468.db2.gz JKUZLGHLKBVKNF-UHFFFAOYSA-N 1 2 341.436 3.910 20 0 EHADLO C[C@H]1CCc2c(sc3ncnc(N(C)CCCn4cc[nH+]c4)c32)C1 ZINC000676030737 1130518871 /nfs/dbraw/zinc/51/88/71/1130518871.db2.gz PAMNVWMJJDJGHS-ZDUSSCGKSA-N 1 2 341.484 3.539 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000676040404 1130521334 /nfs/dbraw/zinc/52/13/34/1130521334.db2.gz YMESVAGGSCRWKU-UHFFFAOYSA-N 1 2 335.276 3.789 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000676040404 1130521339 /nfs/dbraw/zinc/52/13/39/1130521339.db2.gz YMESVAGGSCRWKU-UHFFFAOYSA-N 1 2 335.276 3.789 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048708 1130524136 /nfs/dbraw/zinc/52/41/36/1130524136.db2.gz QNBOKDKIFHMJEN-QAPCUYQASA-N 1 2 342.487 3.795 20 0 EHADLO COc1ccc(C(C)(C)C)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000676122927 1130535263 /nfs/dbraw/zinc/53/52/63/1130535263.db2.gz VAZBKUQAANFOII-UHFFFAOYSA-N 1 2 344.459 3.743 20 0 EHADLO Cc1ccc(F)cc1-c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000705992296 1130549063 /nfs/dbraw/zinc/54/90/63/1130549063.db2.gz YRIGOVQKUJLDRG-SUMWQHHRSA-N 1 2 341.386 3.789 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000706006564 1130551082 /nfs/dbraw/zinc/55/10/82/1130551082.db2.gz YDABOUJYWUGOLR-ZOCIIQOWSA-N 1 2 349.434 3.753 20 0 EHADLO CCc1ccccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676276447 1130556378 /nfs/dbraw/zinc/55/63/78/1130556378.db2.gz JHJXMTMIYCBDPT-IBGZPJMESA-N 1 2 333.435 3.696 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3sccc3s2)C1 ZINC000535282026 1130588825 /nfs/dbraw/zinc/58/88/25/1130588825.db2.gz SWRREKQITYHJOQ-ZDUSSCGKSA-N 1 2 328.462 3.879 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3sccc3s2)C1 ZINC000535282026 1130588828 /nfs/dbraw/zinc/58/88/28/1130588828.db2.gz SWRREKQITYHJOQ-ZDUSSCGKSA-N 1 2 328.462 3.879 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3[C@H](C)C2)C1 ZINC000728041798 1130619608 /nfs/dbraw/zinc/61/96/08/1130619608.db2.gz QFLOEGSUTKBQNL-ZIAGYGMSSA-N 1 2 328.481 3.611 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3[C@H](C)C2)C1 ZINC000728041798 1130619612 /nfs/dbraw/zinc/61/96/12/1130619612.db2.gz QFLOEGSUTKBQNL-ZIAGYGMSSA-N 1 2 328.481 3.611 20 0 EHADLO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC000285621282 1130626868 /nfs/dbraw/zinc/62/68/68/1130626868.db2.gz KUCDABQWZATJPV-AWEZNQCLSA-N 1 2 338.411 3.847 20 0 EHADLO Cc1ccccc1C1CC[NH+](Cn2cc(Br)cn2)CC1 ZINC000730253415 1130691533 /nfs/dbraw/zinc/69/15/33/1130691533.db2.gz FTHQGZXLKLNHJM-UHFFFAOYSA-N 1 2 334.261 3.791 20 0 EHADLO CCOCC[N@H+](CC)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000730808672 1130741665 /nfs/dbraw/zinc/74/16/65/1130741665.db2.gz RLKGBSXIFWGUDF-UHFFFAOYSA-N 1 2 335.879 3.752 20 0 EHADLO CCOCC[N@@H+](CC)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000730808672 1130741668 /nfs/dbraw/zinc/74/16/68/1130741668.db2.gz RLKGBSXIFWGUDF-UHFFFAOYSA-N 1 2 335.879 3.752 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H]2CCCc3ccccc32)c1C ZINC000730967112 1130757029 /nfs/dbraw/zinc/75/70/29/1130757029.db2.gz RNXYGAWTBABRKN-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)OCc1ccccc1 ZINC000731031416 1130762415 /nfs/dbraw/zinc/76/24/15/1130762415.db2.gz UYWFNLYGANUEOZ-HXUWFJFHSA-N 1 2 339.435 3.748 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000731031416 1130762417 /nfs/dbraw/zinc/76/24/17/1130762417.db2.gz UYWFNLYGANUEOZ-HXUWFJFHSA-N 1 2 339.435 3.748 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCCOc1ccc(C(F)(F)F)cc1 ZINC000731028388 1130762428 /nfs/dbraw/zinc/76/24/28/1130762428.db2.gz CHWNEGVRHXNRAK-UHFFFAOYSA-N 1 2 344.358 3.887 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660784 1130825365 /nfs/dbraw/zinc/82/53/65/1130825365.db2.gz UMERORMKVAAWIK-UTKZUKDTSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660784 1130825372 /nfs/dbraw/zinc/82/53/72/1130825372.db2.gz UMERORMKVAAWIK-UTKZUKDTSA-N 1 2 333.435 3.970 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)nc12 ZINC000732211314 1130897829 /nfs/dbraw/zinc/89/78/29/1130897829.db2.gz VLHCRTDLHGKWHR-MBOZVWFJSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccn2cc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)nc12 ZINC000732211314 1130897835 /nfs/dbraw/zinc/89/78/35/1130897835.db2.gz VLHCRTDLHGKWHR-MBOZVWFJSA-N 1 2 335.451 3.993 20 0 EHADLO O=c1oc2ccccc2n1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732979619 1130977663 /nfs/dbraw/zinc/97/76/63/1130977663.db2.gz BNGHKZQRJAOMSX-HNNXBMFYSA-N 1 2 330.334 3.667 20 0 EHADLO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732979619 1130977667 /nfs/dbraw/zinc/97/76/67/1130977667.db2.gz BNGHKZQRJAOMSX-HNNXBMFYSA-N 1 2 330.334 3.667 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000732987447 1130979240 /nfs/dbraw/zinc/97/92/40/1130979240.db2.gz VDZSWZHODPZSJP-SFHVURJKSA-N 1 2 342.389 3.691 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000732987447 1130979244 /nfs/dbraw/zinc/97/92/44/1130979244.db2.gz VDZSWZHODPZSJP-SFHVURJKSA-N 1 2 342.389 3.691 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989105 1130980224 /nfs/dbraw/zinc/98/02/24/1130980224.db2.gz ODXBDVKMMODETM-QAPCUYQASA-N 1 2 336.426 3.893 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989105 1130980226 /nfs/dbraw/zinc/98/02/26/1130980226.db2.gz ODXBDVKMMODETM-QAPCUYQASA-N 1 2 336.426 3.893 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@@H]2CCCC[C@H]2C)n1 ZINC000733136570 1130998336 /nfs/dbraw/zinc/99/83/36/1130998336.db2.gz ZHGHTRIWZWLLQC-UKRRQHHQSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199219 1131004643 /nfs/dbraw/zinc/00/46/43/1131004643.db2.gz OGKIEEPEYJUFRY-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199219 1131004648 /nfs/dbraw/zinc/00/46/48/1131004648.db2.gz OGKIEEPEYJUFRY-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000733193690 1131007822 /nfs/dbraw/zinc/00/78/22/1131007822.db2.gz UEHUSLNCTKHSSG-UHFFFAOYSA-N 1 2 348.815 3.693 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000733293583 1131023262 /nfs/dbraw/zinc/02/32/62/1131023262.db2.gz QDFDUKGJCWWWGI-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000733293583 1131023265 /nfs/dbraw/zinc/02/32/65/1131023265.db2.gz QDFDUKGJCWWWGI-AWEZNQCLSA-N 1 2 328.378 3.599 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nn1)c1ccco1 ZINC000347936712 1131093857 /nfs/dbraw/zinc/09/38/57/1131093857.db2.gz UBCZJXLHAVWXQH-KRWDZBQOSA-N 1 2 339.395 3.729 20 0 EHADLO CC1CCC(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000347966465 1131107970 /nfs/dbraw/zinc/10/79/70/1131107970.db2.gz MTOUDPOBJCFCNX-UHFFFAOYSA-N 1 2 330.472 3.674 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)nn1 ZINC000282645948 1131130985 /nfs/dbraw/zinc/13/09/85/1131130985.db2.gz CAEUUJJYVFPJMA-QMMMGPOBSA-N 1 2 330.190 3.782 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000626093452 1131153215 /nfs/dbraw/zinc/15/32/15/1131153215.db2.gz BEYINWHDFPCUGI-KXBFYZLASA-N 1 2 329.488 3.899 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c1C ZINC000734009265 1131183010 /nfs/dbraw/zinc/18/30/10/1131183010.db2.gz NGBHYTRKLSLWCH-BBRMVZONSA-N 1 2 333.476 3.723 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000734214815 1131212514 /nfs/dbraw/zinc/21/25/14/1131212514.db2.gz BWSVEFAQEVLREG-SFHVURJKSA-N 1 2 340.471 3.840 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053023 1131461381 /nfs/dbraw/zinc/46/13/81/1131461381.db2.gz GNUMBVBIWOWDAQ-HOCLYGCPSA-N 1 2 328.456 3.691 20 0 EHADLO CC[C@H](C)[C@@H]1CCCC[N@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053023 1131461386 /nfs/dbraw/zinc/46/13/86/1131461386.db2.gz GNUMBVBIWOWDAQ-HOCLYGCPSA-N 1 2 328.456 3.691 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCCCC[C@@H]3C)c2=S)cc1C ZINC000738227459 1131463632 /nfs/dbraw/zinc/46/36/32/1131463632.db2.gz VCDRKDIKBHQLRK-HNNXBMFYSA-N 1 2 331.489 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCCCC[C@@H]3C)c2=S)cc1C ZINC000738227459 1131463635 /nfs/dbraw/zinc/46/36/35/1131463635.db2.gz VCDRKDIKBHQLRK-HNNXBMFYSA-N 1 2 331.489 3.637 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C[C@H](C(C)C)CC2=O)cc1 ZINC000738244204 1131466398 /nfs/dbraw/zinc/46/63/98/1131466398.db2.gz GJBPBJIJATYIPI-MSOLQXFVSA-N 1 2 332.513 3.547 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C[C@H](C(C)C)CC2=O)cc1 ZINC000738244204 1131466399 /nfs/dbraw/zinc/46/63/99/1131466399.db2.gz GJBPBJIJATYIPI-MSOLQXFVSA-N 1 2 332.513 3.547 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000738306807 1131467679 /nfs/dbraw/zinc/46/76/79/1131467679.db2.gz YMINODDJSWAEHZ-GOSISDBHSA-N 1 2 346.471 3.725 20 0 EHADLO Nc1ccc(Br)c2c1CN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001155022211 1131490813 /nfs/dbraw/zinc/49/08/13/1131490813.db2.gz PXLIJGLDUCAHKF-UHFFFAOYSA-N 1 2 344.256 3.866 20 0 EHADLO CC1(C)CCC[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000179353060 1131523121 /nfs/dbraw/zinc/52/31/21/1131523121.db2.gz UWSMVVWMYVNHTE-KRWDZBQOSA-N 1 2 330.472 3.674 20 0 EHADLO CC(C)c1ccc(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000741030588 1131566578 /nfs/dbraw/zinc/56/65/78/1131566578.db2.gz YDTICCAYYPCLPS-MRXNPFEDSA-N 1 2 331.456 3.800 20 0 EHADLO CCc1nn(C)cc1C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000179682509 1131586107 /nfs/dbraw/zinc/58/61/07/1131586107.db2.gz ZTZFSDIXFZLWPD-LBPRGKRZSA-N 1 2 336.277 3.938 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000179682509 1131586110 /nfs/dbraw/zinc/58/61/10/1131586110.db2.gz ZTZFSDIXFZLWPD-LBPRGKRZSA-N 1 2 336.277 3.938 20 0 EHADLO Cc1nc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c2ccccn12 ZINC000741212384 1131586966 /nfs/dbraw/zinc/58/69/66/1131586966.db2.gz KVNJIHOPIUJWER-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO C[C@@H](OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356388 1131598880 /nfs/dbraw/zinc/59/88/80/1131598880.db2.gz QNUBJUJDKOKQHP-XLIONFOSSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@@H](OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356388 1131598883 /nfs/dbraw/zinc/59/88/83/1131598883.db2.gz QNUBJUJDKOKQHP-XLIONFOSSA-N 1 2 339.435 3.582 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777927 1131645651 /nfs/dbraw/zinc/64/56/51/1131645651.db2.gz FSDNVSIWETWOIB-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777927 1131645652 /nfs/dbraw/zinc/64/56/52/1131645652.db2.gz FSDNVSIWETWOIB-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000741800617 1131651866 /nfs/dbraw/zinc/65/18/66/1131651866.db2.gz YUABJKCDKROHKN-OAHLLOKOSA-N 1 2 333.863 3.537 20 0 EHADLO COc1ccc(C[C@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000741800617 1131651869 /nfs/dbraw/zinc/65/18/69/1131651869.db2.gz YUABJKCDKROHKN-OAHLLOKOSA-N 1 2 333.863 3.537 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCSc3ccccc32)c1C ZINC000741916428 1131667094 /nfs/dbraw/zinc/66/70/94/1131667094.db2.gz YSVHXDCDZFHRMN-OAHLLOKOSA-N 1 2 342.464 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCSc3ccccc32)c1C ZINC000741916427 1131667409 /nfs/dbraw/zinc/66/74/09/1131667409.db2.gz YSVHXDCDZFHRMN-HNNXBMFYSA-N 1 2 342.464 3.603 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCOCC1 ZINC000742031163 1131684663 /nfs/dbraw/zinc/68/46/63/1131684663.db2.gz BFHSDNVYJOXTTE-FQEVSTJZSA-N 1 2 340.467 3.915 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)C1CCCCC1 ZINC000742237669 1131699513 /nfs/dbraw/zinc/69/95/13/1131699513.db2.gz NWTAEISBDWONNU-CQSZACIVSA-N 1 2 330.463 3.781 20 0 EHADLO C[C@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)C1CCCCC1 ZINC000742237669 1131699515 /nfs/dbraw/zinc/69/95/15/1131699515.db2.gz NWTAEISBDWONNU-CQSZACIVSA-N 1 2 330.463 3.781 20 0 EHADLO Cc1nc(N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc[nH+]1 ZINC000742406295 1131719181 /nfs/dbraw/zinc/71/91/81/1131719181.db2.gz JDKKXSDJTXVUEC-HNNXBMFYSA-N 1 2 334.464 3.671 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(-c4ccncc4)c3)cc2)C1 ZINC001212670473 1131780305 /nfs/dbraw/zinc/78/03/05/1131780305.db2.gz ZMFFEWBBXZFBEU-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)C2)cc1 ZINC001172543919 1131782560 /nfs/dbraw/zinc/78/25/60/1131782560.db2.gz PQTLVXYAUKWBKA-YSFYHYPLSA-N 1 2 340.511 3.508 20 0 EHADLO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)C2)cc1 ZINC001172543919 1131782568 /nfs/dbraw/zinc/78/25/68/1131782568.db2.gz PQTLVXYAUKWBKA-YSFYHYPLSA-N 1 2 340.511 3.508 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)[C@@H]2C ZINC001172719568 1131821233 /nfs/dbraw/zinc/82/12/33/1131821233.db2.gz VMQSHMMWKCKJCW-CXAGYDPISA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)[C@@H]2C ZINC001172719568 1131821243 /nfs/dbraw/zinc/82/12/43/1131821243.db2.gz VMQSHMMWKCKJCW-CXAGYDPISA-N 1 2 345.874 3.617 20 0 EHADLO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172757942 1131836179 /nfs/dbraw/zinc/83/61/79/1131836179.db2.gz BXZIPRRQMPMJCT-LBPRGKRZSA-N 1 2 344.377 3.579 20 0 EHADLO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172757942 1131836184 /nfs/dbraw/zinc/83/61/84/1131836184.db2.gz BXZIPRRQMPMJCT-LBPRGKRZSA-N 1 2 344.377 3.579 20 0 EHADLO CC(C)CC(=O)N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172867817 1131862977 /nfs/dbraw/zinc/86/29/77/1131862977.db2.gz AIWSFSMOEQBTFZ-AWEZNQCLSA-N 1 2 340.870 3.600 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)cc1C ZINC000743361460 1131902060 /nfs/dbraw/zinc/90/20/60/1131902060.db2.gz MVSRKYRKHWOKJW-OXJNMPFZSA-N 1 2 338.451 3.613 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)cc1C ZINC000743361460 1131902067 /nfs/dbraw/zinc/90/20/67/1131902067.db2.gz MVSRKYRKHWOKJW-OXJNMPFZSA-N 1 2 338.451 3.613 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCc2ccccc2C1 ZINC000743346415 1131905693 /nfs/dbraw/zinc/90/56/93/1131905693.db2.gz TXHOVSXKNKYUEV-SFHVURJKSA-N 1 2 326.827 3.629 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCc2ccccc2C1 ZINC000743346415 1131905696 /nfs/dbraw/zinc/90/56/96/1131905696.db2.gz TXHOVSXKNKYUEV-SFHVURJKSA-N 1 2 326.827 3.629 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000743347060 1131906196 /nfs/dbraw/zinc/90/61/96/1131906196.db2.gz GCMFTBCIBGUMPV-AWEZNQCLSA-N 1 2 327.453 3.546 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000743347060 1131906202 /nfs/dbraw/zinc/90/62/02/1131906202.db2.gz GCMFTBCIBGUMPV-AWEZNQCLSA-N 1 2 327.453 3.546 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000743376537 1131913502 /nfs/dbraw/zinc/91/35/02/1131913502.db2.gz KUTOFOOHGVKRPB-MJBXVCDLSA-N 1 2 340.558 3.598 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000743376537 1131913506 /nfs/dbraw/zinc/91/35/06/1131913506.db2.gz KUTOFOOHGVKRPB-MJBXVCDLSA-N 1 2 340.558 3.598 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(Cc2ccccn2)n1 ZINC001212694976 1131923926 /nfs/dbraw/zinc/92/39/26/1131923926.db2.gz HETHLDJGGLEEHY-UHFFFAOYSA-N 1 2 344.422 3.623 20 0 EHADLO c1cn(Cc2ccc(Nc3ccc4nnc(C5CC5)n4c3)cc2)c[nH+]1 ZINC001212695031 1131924237 /nfs/dbraw/zinc/92/42/37/1131924237.db2.gz JXRJQNIEJKGPCP-UHFFFAOYSA-N 1 2 330.395 3.595 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(C2CCOCC2)n1 ZINC001212695202 1131925374 /nfs/dbraw/zinc/92/53/74/1131925374.db2.gz SUAMRIJHWPQKEG-UHFFFAOYSA-N 1 2 337.427 3.531 20 0 EHADLO COC(=O)[C@H](C)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212699143 1131932997 /nfs/dbraw/zinc/93/29/97/1131932997.db2.gz PSXYYVVNWLCSAU-OAHLLOKOSA-N 1 2 335.407 3.952 20 0 EHADLO COCCCN(c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1N ZINC001212699267 1131933695 /nfs/dbraw/zinc/93/36/95/1131933695.db2.gz XBSMNWKRPBOXQI-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000743564923 1131942367 /nfs/dbraw/zinc/94/23/67/1131942367.db2.gz MHNBJPBKQQYISS-CVEARBPZSA-N 1 2 326.444 3.592 20 0 EHADLO CCSC[C@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001173306843 1132036215 /nfs/dbraw/zinc/03/62/15/1132036215.db2.gz YSBJTJVJWUFQQX-NSHDSACASA-N 1 2 334.316 3.652 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@H]1CCOc2cc(F)ccc21)c1ccccc1 ZINC000766306813 1132066610 /nfs/dbraw/zinc/06/66/10/1132066610.db2.gz IZPAFHWMDDVRGL-PKOBYXMFSA-N 1 2 343.398 3.886 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@H]1CCOc2cc(F)ccc21)c1ccccc1 ZINC000766306813 1132066617 /nfs/dbraw/zinc/06/66/17/1132066617.db2.gz IZPAFHWMDDVRGL-PKOBYXMFSA-N 1 2 343.398 3.886 20 0 EHADLO CC(C)C[C@@H]1CC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000744437074 1132092837 /nfs/dbraw/zinc/09/28/37/1132092837.db2.gz FEWFYVADIUZDQH-HNNXBMFYSA-N 1 2 330.501 3.944 20 0 EHADLO CC(C)C[C@@H]1CC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000744437074 1132092844 /nfs/dbraw/zinc/09/28/44/1132092844.db2.gz FEWFYVADIUZDQH-HNNXBMFYSA-N 1 2 330.501 3.944 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CCS1 ZINC000744424449 1132094296 /nfs/dbraw/zinc/09/42/96/1132094296.db2.gz LWYNXWCEKQPUBT-LBPRGKRZSA-N 1 2 346.468 3.767 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CCS1 ZINC000744424449 1132094303 /nfs/dbraw/zinc/09/43/03/1132094303.db2.gz LWYNXWCEKQPUBT-LBPRGKRZSA-N 1 2 346.468 3.767 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CCS1 ZINC000744424447 1132094552 /nfs/dbraw/zinc/09/45/52/1132094552.db2.gz LWYNXWCEKQPUBT-GFCCVEGCSA-N 1 2 346.468 3.767 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CCS1 ZINC000744424447 1132094558 /nfs/dbraw/zinc/09/45/58/1132094558.db2.gz LWYNXWCEKQPUBT-GFCCVEGCSA-N 1 2 346.468 3.767 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)CCOc2cccc(Cl)c2)C1 ZINC000744431313 1132096087 /nfs/dbraw/zinc/09/60/87/1132096087.db2.gz GMSWUPSLQVWPOI-HNNXBMFYSA-N 1 2 338.879 3.503 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)CCOc2cccc(Cl)c2)C1 ZINC000744431313 1132096095 /nfs/dbraw/zinc/09/60/95/1132096095.db2.gz GMSWUPSLQVWPOI-HNNXBMFYSA-N 1 2 338.879 3.503 20 0 EHADLO COc1cc(OC)c(Nc2cccc(-n3cc[nH+]c3)c2)c(OC)c1 ZINC001173909637 1132171078 /nfs/dbraw/zinc/17/10/78/1132171078.db2.gz YZCHONUXJVOXOG-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1Cl ZINC000745081834 1132195215 /nfs/dbraw/zinc/19/52/15/1132195215.db2.gz KGORPTGZQXRRPW-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1Cl ZINC000745081834 1132195217 /nfs/dbraw/zinc/19/52/17/1132195217.db2.gz KGORPTGZQXRRPW-ZDUSSCGKSA-N 1 2 346.652 3.630 20 0 EHADLO COCc1ccccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001174102501 1132228602 /nfs/dbraw/zinc/22/86/02/1132228602.db2.gz VDOHWAIQVAOORY-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO COc1cc(Nc2cccc(C(=O)NCc3ccco3)c2)cc(C)[nH+]1 ZINC001174199033 1132280638 /nfs/dbraw/zinc/28/06/38/1132280638.db2.gz BCDPFUTUWAGSEK-UHFFFAOYSA-N 1 2 337.379 3.665 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C(=O)N2CCC(C)CC2)c1 ZINC001174204203 1132283964 /nfs/dbraw/zinc/28/39/64/1132283964.db2.gz OONPZERMZFDEQW-UHFFFAOYSA-N 1 2 348.450 3.788 20 0 EHADLO Cc1cn2cccc(Nc3ccc(S(=O)(=O)C(C)C)cc3)c2[nH+]1 ZINC001174267779 1132305530 /nfs/dbraw/zinc/30/55/30/1132305530.db2.gz NXCSNZKHVMFJDB-UHFFFAOYSA-N 1 2 329.425 3.568 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000745786959 1132316401 /nfs/dbraw/zinc/31/64/01/1132316401.db2.gz OBXTXXPCPIMBOW-IBGZPJMESA-N 1 2 333.476 3.819 20 0 EHADLO Oc1cccc(Cl)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432504 1132353591 /nfs/dbraw/zinc/35/35/91/1132353591.db2.gz UKHWXXLJTYWMGB-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccc(N4CCCC4)[nH+]c3)cn2)cc1 ZINC001174436406 1132355021 /nfs/dbraw/zinc/35/50/21/1132355021.db2.gz CUSWXFCJWQBJDB-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183387264 1132363886 /nfs/dbraw/zinc/36/38/86/1132363886.db2.gz ICPYPAKDLMGZLA-WFASDCNBSA-N 1 2 333.407 3.721 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183387264 1132363895 /nfs/dbraw/zinc/36/38/95/1132363895.db2.gz ICPYPAKDLMGZLA-WFASDCNBSA-N 1 2 333.407 3.721 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cs1 ZINC000746099055 1132371291 /nfs/dbraw/zinc/37/12/91/1132371291.db2.gz XZXDEGWPDAROHH-AWEZNQCLSA-N 1 2 344.480 3.757 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cs1 ZINC000746099055 1132371298 /nfs/dbraw/zinc/37/12/98/1132371298.db2.gz XZXDEGWPDAROHH-AWEZNQCLSA-N 1 2 344.480 3.757 20 0 EHADLO CNc1ncc2cc(Nc3cccc(Cn4cc[nH+]c4)c3)ccc2n1 ZINC001174532321 1132385561 /nfs/dbraw/zinc/38/55/61/1132385561.db2.gz QKJXUFGGMQRIIN-UHFFFAOYSA-N 1 2 330.395 3.660 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000746243613 1132396252 /nfs/dbraw/zinc/39/62/52/1132396252.db2.gz ZESBDWUXTYGUAX-QINSGFPZSA-N 1 2 341.411 3.510 20 0 EHADLO Brc1cc(Nc2cnc(C3CC3)nc2)cn2cc[nH+]c12 ZINC001174610027 1132429894 /nfs/dbraw/zinc/42/98/94/1132429894.db2.gz QHPSYRPKJHCCTH-UHFFFAOYSA-N 1 2 330.189 3.508 20 0 EHADLO Cc1nc(Nc2ccc3cc[nH]c3c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174747640 1132465627 /nfs/dbraw/zinc/46/56/27/1132465627.db2.gz HZVYZRNFDPBNNK-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc3cc[nH]c3c2)[nH+]1 ZINC001174747640 1132465632 /nfs/dbraw/zinc/46/56/32/1132465632.db2.gz HZVYZRNFDPBNNK-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1ccc(CCN(Cc2ccco2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193386402 1132481749 /nfs/dbraw/zinc/48/17/49/1132481749.db2.gz KSWLMIYJTIQEBY-UHFFFAOYSA-N 1 2 337.423 3.515 20 0 EHADLO Cc1ccc(CCN(Cc2ccco2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193386402 1132481756 /nfs/dbraw/zinc/48/17/56/1132481756.db2.gz KSWLMIYJTIQEBY-UHFFFAOYSA-N 1 2 337.423 3.515 20 0 EHADLO Cc1cc(Br)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977023 1132511094 /nfs/dbraw/zinc/51/10/94/1132511094.db2.gz KDXBEVWOZNYESG-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO CCOc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC001174976759 1132511361 /nfs/dbraw/zinc/51/13/61/1132511361.db2.gz AGOKDYFIBOMGNB-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO Nc1cc(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC001174977272 1132511823 /nfs/dbraw/zinc/51/18/23/1132511823.db2.gz IWKSKXWEAGYRNU-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@H](c2ccccc2F)C1 ZINC000766407338 1132531483 /nfs/dbraw/zinc/53/14/83/1132531483.db2.gz JVERHLFWQVJQSH-ZDUSSCGKSA-N 1 2 339.418 3.714 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3c(F)cc(O)cc3F)c2c1 ZINC001175097636 1132566916 /nfs/dbraw/zinc/56/69/16/1132566916.db2.gz FHVQOVAXEAYVHY-UHFFFAOYSA-N 1 2 344.317 3.561 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001175163450 1132587361 /nfs/dbraw/zinc/58/73/61/1132587361.db2.gz CJGDPIMNAYBAES-CEXWTWQISA-N 1 2 329.484 3.965 20 0 EHADLO FCCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001175182571 1132590081 /nfs/dbraw/zinc/59/00/81/1132590081.db2.gz AIUSVTDXUAZECH-UHFFFAOYSA-N 1 2 340.240 3.897 20 0 EHADLO Cc1cc2cc(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)[nH+]cc2[nH]1 ZINC001168894286 1132590378 /nfs/dbraw/zinc/59/03/78/1132590378.db2.gz XVIAPRPVARXXPI-QGZVFWFLSA-N 1 2 334.423 3.588 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)c(N(C)C)[nH+]1 ZINC000773476171 1132596061 /nfs/dbraw/zinc/59/60/61/1132596061.db2.gz SCXWVNMOIXSBHG-CQSZACIVSA-N 1 2 336.439 3.690 20 0 EHADLO CC(C)OC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001175257984 1132619801 /nfs/dbraw/zinc/61/98/01/1132619801.db2.gz HSXAONGLBHBTLH-UHFFFAOYSA-N 1 2 325.412 3.991 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)cc(C(F)(F)F)c1 ZINC001175345267 1132627535 /nfs/dbraw/zinc/62/75/35/1132627535.db2.gz UPSIUMVFOIEVNJ-UHFFFAOYSA-N 1 2 339.317 3.697 20 0 EHADLO COc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Br ZINC001175343250 1132628219 /nfs/dbraw/zinc/62/82/19/1132628219.db2.gz CFPOPIPQSOXCOW-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COc1cccc(C(=O)C(F)(F)F)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175343239 1132628232 /nfs/dbraw/zinc/62/82/32/1132628232.db2.gz BNDHRUOYDGOZNS-UHFFFAOYSA-N 1 2 339.317 3.645 20 0 EHADLO c1c(CCNc2ccc(O[C@H]3CCCCO3)cc2)[nH+]c2ccccn12 ZINC001169003940 1132630088 /nfs/dbraw/zinc/63/00/88/1132630088.db2.gz KURNDBNFUDEWCV-FQEVSTJZSA-N 1 2 337.423 3.894 20 0 EHADLO Oc1ccc(-c2ncc(Nc3ccc(N4CCCC4)[nH+]c3)cn2)cc1 ZINC001175347704 1132630642 /nfs/dbraw/zinc/63/06/42/1132630642.db2.gz RXEBVBWVXDSPGD-UHFFFAOYSA-N 1 2 333.395 3.588 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H](C(=O)OC)c2cccc(OC)c2)CCS1 ZINC001169024428 1132640770 /nfs/dbraw/zinc/64/07/70/1132640770.db2.gz MQNZZAFAJXIFMR-INIZCTEOSA-N 1 2 337.485 3.517 20 0 EHADLO CCC1(CC)C[N@H+]([C@H](C(=O)OC)c2cccc(OC)c2)CCS1 ZINC001169024428 1132640774 /nfs/dbraw/zinc/64/07/74/1132640774.db2.gz MQNZZAFAJXIFMR-INIZCTEOSA-N 1 2 337.485 3.517 20 0 EHADLO COC(=O)[C@H]1CCc2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc21 ZINC001175351875 1132645378 /nfs/dbraw/zinc/64/53/78/1132645378.db2.gz DBHSLASZPXQUBI-SFHVURJKSA-N 1 2 337.423 3.628 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175351461 1132646288 /nfs/dbraw/zinc/64/62/88/1132646288.db2.gz MODURUPZPRFEOP-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc(-n4cccn4)cc3)c[nH+]2)C[C@H](C)O1 ZINC001175369498 1132651976 /nfs/dbraw/zinc/65/19/76/1132651976.db2.gz YYGMJMTXPRYFTA-IYBDPMFKSA-N 1 2 349.438 3.625 20 0 EHADLO Brc1cc(Nc2cccc3c[nH]nc32)c2[nH+]ccn2c1 ZINC001175636867 1132719916 /nfs/dbraw/zinc/71/99/16/1132719916.db2.gz IFUGCKZTUBIRFG-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000766667322 1132726792 /nfs/dbraw/zinc/72/67/92/1132726792.db2.gz UPXFRKNWIQZIJT-SFHVURJKSA-N 1 2 341.842 3.876 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000766667322 1132726796 /nfs/dbraw/zinc/72/67/96/1132726796.db2.gz UPXFRKNWIQZIJT-SFHVURJKSA-N 1 2 341.842 3.876 20 0 EHADLO COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H]3C[C@@H](C)c4ccccc43)c12 ZINC001169373883 1132736499 /nfs/dbraw/zinc/73/64/99/1132736499.db2.gz LBLWLFLJTYYENL-SJKOYZFVSA-N 1 2 335.407 3.939 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713112 1132740061 /nfs/dbraw/zinc/74/00/61/1132740061.db2.gz QDVZWKYDYHABKA-UHFFFAOYSA-N 1 2 338.333 3.564 20 0 EHADLO COc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C(C)=O)c1 ZINC001175716754 1132742666 /nfs/dbraw/zinc/74/26/66/1132742666.db2.gz PSFWNIYYORVEJA-UHFFFAOYSA-N 1 2 325.290 3.637 20 0 EHADLO CN(CCCNC(=O)c1ccc(C2CCCC2)cc1)c1cccc[nH+]1 ZINC001175708990 1132754637 /nfs/dbraw/zinc/75/46/37/1132754637.db2.gz WAVMFBJKNIRIKI-UHFFFAOYSA-N 1 2 337.467 3.996 20 0 EHADLO COc1ccc(CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)nn1 ZINC001169475911 1132770868 /nfs/dbraw/zinc/77/08/68/1132770868.db2.gz ZDEWLHMCJJNRLB-UHFFFAOYSA-N 1 2 331.379 3.641 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC001175918064 1132796630 /nfs/dbraw/zinc/79/66/30/1132796630.db2.gz QGQGKQJORKBCFC-LBPRGKRZSA-N 1 2 347.344 3.532 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804332850 1132807516 /nfs/dbraw/zinc/80/75/16/1132807516.db2.gz CMYKKOBJEFLGTN-SFHVURJKSA-N 1 2 339.483 3.635 20 0 EHADLO CCOC(=O)C[C@H](Nc1ccc([NH+](C)C)c(C)c1)c1cccnc1 ZINC001169679994 1132817592 /nfs/dbraw/zinc/81/75/92/1132817592.db2.gz SHLFKFSWUDOFCX-KRWDZBQOSA-N 1 2 327.428 3.562 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC001176086028 1132830749 /nfs/dbraw/zinc/83/07/49/1132830749.db2.gz BTOMLTTWQCXZIJ-KUHUBIRLSA-N 1 2 344.817 3.691 20 0 EHADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC001176086028 1132830755 /nfs/dbraw/zinc/83/07/55/1132830755.db2.gz BTOMLTTWQCXZIJ-KUHUBIRLSA-N 1 2 344.817 3.691 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc2c1cnn2C(=O)OC(C)(C)C ZINC001176122562 1132853446 /nfs/dbraw/zinc/85/34/46/1132853446.db2.gz ATNOWHAUCNLFSA-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO Brc1c[nH+]c2ccccc2c1NCCc1cncs1 ZINC001169866584 1132884670 /nfs/dbraw/zinc/88/46/70/1132884670.db2.gz CGUQEYPSCMBLSN-UHFFFAOYSA-N 1 2 334.242 3.530 20 0 EHADLO CCOC(=O)c1cccc(CNc2nc(C(C)(C)C)[nH+]c(C)c2C)n1 ZINC001169869508 1132886047 /nfs/dbraw/zinc/88/60/47/1132886047.db2.gz ZZRAXVFLVGKLGZ-UHFFFAOYSA-N 1 2 342.443 3.575 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC001176199876 1132886184 /nfs/dbraw/zinc/88/61/84/1132886184.db2.gz VQKQHTRQXOCPFK-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO Cc1ccc2c(Nc3ccc(S(C)(=O)=O)cc3F)cccc2[nH+]1 ZINC001176279094 1132889104 /nfs/dbraw/zinc/88/91/04/1132889104.db2.gz ZMTGZLGCFBFJIA-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]CCCc1cccnc1 ZINC001176546640 1132949767 /nfs/dbraw/zinc/94/97/67/1132949767.db2.gz WFOLKGMMLKRGMU-IBGZPJMESA-N 1 2 340.467 3.557 20 0 EHADLO Fc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc(N2CCOCC2)c1 ZINC001176499986 1132950699 /nfs/dbraw/zinc/95/06/99/1132950699.db2.gz ULCWELQREBIBPB-UHFFFAOYSA-N 1 2 338.386 3.592 20 0 EHADLO CC(C)(C)c1nnc2ccc(Nc3ccc[nH+]c3N3CCCC3)cn21 ZINC001176749055 1132992418 /nfs/dbraw/zinc/99/24/18/1132992418.db2.gz QXEODTUFMCCLPT-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](CCSCc2ccccc2)[C@H]2C[C@H]21 ZINC001176752465 1132999148 /nfs/dbraw/zinc/99/91/48/1132999148.db2.gz DUVPOQGQDIUGQH-DLBZAZTESA-N 1 2 348.512 3.613 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCSCc2ccccc2)[C@H]2C[C@H]21 ZINC001176752465 1132999153 /nfs/dbraw/zinc/99/91/53/1132999153.db2.gz DUVPOQGQDIUGQH-DLBZAZTESA-N 1 2 348.512 3.613 20 0 EHADLO Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)CCn1cc[nH+]c1 ZINC001176878697 1133006200 /nfs/dbraw/zinc/00/62/00/1133006200.db2.gz FZJVHXKJADFMFB-UHFFFAOYSA-N 1 2 344.415 3.567 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001176877606 1133006740 /nfs/dbraw/zinc/00/67/40/1133006740.db2.gz IFGPBVCSNQHLNP-UHFFFAOYSA-N 1 2 333.435 3.833 20 0 EHADLO Cn1cc([C@@H]2CCC[N@H+](Cc3cc(Cl)sc3Cl)C2)nn1 ZINC001176888084 1133008017 /nfs/dbraw/zinc/00/80/17/1133008017.db2.gz XTJZLULPVFDNNZ-SECBINFHSA-N 1 2 331.272 3.563 20 0 EHADLO Cn1cc([C@@H]2CCC[N@@H+](Cc3cc(Cl)sc3Cl)C2)nn1 ZINC001176888084 1133008023 /nfs/dbraw/zinc/00/80/23/1133008023.db2.gz XTJZLULPVFDNNZ-SECBINFHSA-N 1 2 331.272 3.563 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH+]3CCC(O)(C(C)C)CC3)nc(=O)c2c1C ZINC001176921255 1133009422 /nfs/dbraw/zinc/00/94/22/1133009422.db2.gz KGBWVOOSJIDCBF-LBPRGKRZSA-N 1 2 349.500 3.558 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 ZINC000767553635 1133014087 /nfs/dbraw/zinc/01/40/87/1133014087.db2.gz CENHOMXIESKCRW-GFCCVEGCSA-N 1 2 338.662 3.983 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 ZINC000767553635 1133014092 /nfs/dbraw/zinc/01/40/92/1133014092.db2.gz CENHOMXIESKCRW-GFCCVEGCSA-N 1 2 338.662 3.983 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCO1 ZINC001176994651 1133020059 /nfs/dbraw/zinc/02/00/59/1133020059.db2.gz AYYRCBCVGRHHGI-QGZVFWFLSA-N 1 2 348.878 3.558 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCO1 ZINC001176994651 1133020060 /nfs/dbraw/zinc/02/00/60/1133020060.db2.gz AYYRCBCVGRHHGI-QGZVFWFLSA-N 1 2 348.878 3.558 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCO1 ZINC001176995360 1133020827 /nfs/dbraw/zinc/02/08/27/1133020827.db2.gz KQXBTQAJGGBRSG-QGZVFWFLSA-N 1 2 349.425 3.788 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCO1 ZINC001176995360 1133020832 /nfs/dbraw/zinc/02/08/32/1133020832.db2.gz KQXBTQAJGGBRSG-QGZVFWFLSA-N 1 2 349.425 3.788 20 0 EHADLO CCc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3cccc(O)c3)o1)C2 ZINC001177009062 1133021370 /nfs/dbraw/zinc/02/13/70/1133021370.db2.gz WHJKLCMQFJLHAJ-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CCc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3cccc(O)c3)o1)C2 ZINC001177009062 1133021377 /nfs/dbraw/zinc/02/13/77/1133021377.db2.gz WHJKLCMQFJLHAJ-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCOC[C@@H]3CCO)s2)cc1 ZINC000767591238 1133022717 /nfs/dbraw/zinc/02/27/17/1133022717.db2.gz HBEHNOCJNXCGES-KRWDZBQOSA-N 1 2 346.496 3.517 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCOC[C@@H]3CCO)s2)cc1 ZINC000767591238 1133022722 /nfs/dbraw/zinc/02/27/22/1133022722.db2.gz HBEHNOCJNXCGES-KRWDZBQOSA-N 1 2 346.496 3.517 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1ccc(Br)n1 ZINC000767974337 1133076143 /nfs/dbraw/zinc/07/61/43/1133076143.db2.gz NOKBRIUXWAAQPA-AAEUAGOBSA-N 1 2 338.224 3.620 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1ccc(Br)n1 ZINC000767974337 1133076147 /nfs/dbraw/zinc/07/61/47/1133076147.db2.gz NOKBRIUXWAAQPA-AAEUAGOBSA-N 1 2 338.224 3.620 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000768132403 1133100279 /nfs/dbraw/zinc/10/02/79/1133100279.db2.gz HICGYZRWGUJVPH-GFCCVEGCSA-N 1 2 343.427 3.794 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1F ZINC001204203303 1133100375 /nfs/dbraw/zinc/10/03/75/1133100375.db2.gz UCRUWJMADDRJMD-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1F ZINC001204203303 1133100379 /nfs/dbraw/zinc/10/03/79/1133100379.db2.gz UCRUWJMADDRJMD-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cnc1Cl ZINC000768208004 1133107885 /nfs/dbraw/zinc/10/78/85/1133107885.db2.gz LNRHTUSVABJQCC-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cnc1Cl ZINC000768208004 1133107888 /nfs/dbraw/zinc/10/78/88/1133107888.db2.gz LNRHTUSVABJQCC-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1cc(C)n(-c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2F)n1 ZINC000768338002 1133126266 /nfs/dbraw/zinc/12/62/66/1133126266.db2.gz XWZPKYIBNVDOPH-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO COc1cncc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001178208667 1133143170 /nfs/dbraw/zinc/14/31/70/1133143170.db2.gz QBFWNWWXQYWOMW-UHFFFAOYSA-N 1 2 332.407 3.618 20 0 EHADLO Cc1cc(Br)cn2c(CNc3ccc(F)nc3)c[nH+]c12 ZINC001178254477 1133145983 /nfs/dbraw/zinc/14/59/83/1133145983.db2.gz PJZSUDAGSHFGNB-UHFFFAOYSA-N 1 2 335.180 3.551 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000768510669 1133147024 /nfs/dbraw/zinc/14/70/24/1133147024.db2.gz URJWIOCTPDJAOG-VQTJNVASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000768510669 1133147027 /nfs/dbraw/zinc/14/70/27/1133147027.db2.gz URJWIOCTPDJAOG-VQTJNVASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)COc1cccc(F)c1 ZINC000768515102 1133154096 /nfs/dbraw/zinc/15/40/96/1133154096.db2.gz AHKOYJVSWQSNPB-INIZCTEOSA-N 1 2 326.371 3.534 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768544654 1133157904 /nfs/dbraw/zinc/15/79/04/1133157904.db2.gz QGPIFXOLYXDDIA-XJKSGUPXSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000768544654 1133157906 /nfs/dbraw/zinc/15/79/06/1133157906.db2.gz QGPIFXOLYXDDIA-XJKSGUPXSA-N 1 2 349.475 3.820 20 0 EHADLO Cc1cc(Cl)nc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC001178549503 1133179036 /nfs/dbraw/zinc/17/90/36/1133179036.db2.gz KBSJGMFLJWOINR-UHFFFAOYSA-N 1 2 341.636 3.801 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H](F)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000768990415 1133211095 /nfs/dbraw/zinc/21/10/95/1133211095.db2.gz MMGINGUVMSBNFH-DNVCBOLYSA-N 1 2 342.414 3.729 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922354 1133213829 /nfs/dbraw/zinc/21/38/29/1133213829.db2.gz KZALDUVPMAOAMB-UHFFFAOYSA-N 1 2 333.435 3.691 20 0 EHADLO CCCN(CC)c1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001179091722 1133227088 /nfs/dbraw/zinc/22/70/88/1133227088.db2.gz ATDLLUHBITZLOX-UHFFFAOYSA-N 1 2 328.460 3.699 20 0 EHADLO CCCN(CC)c1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001179091722 1133227094 /nfs/dbraw/zinc/22/70/94/1133227094.db2.gz ATDLLUHBITZLOX-UHFFFAOYSA-N 1 2 328.460 3.699 20 0 EHADLO Oc1ccc(Cl)c(C[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC001179458414 1133253539 /nfs/dbraw/zinc/25/35/39/1133253539.db2.gz SXXYSEBUVJLFJD-UHFFFAOYSA-N 1 2 341.842 3.775 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NC/C=C/c1ccc(F)cc1 ZINC001179489799 1133255067 /nfs/dbraw/zinc/25/50/67/1133255067.db2.gz VORIGCZWGOZFIF-SNAWJCMRSA-N 1 2 325.387 3.947 20 0 EHADLO CCOc1cccc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000769390150 1133275337 /nfs/dbraw/zinc/27/53/37/1133275337.db2.gz VFNDUKNAAGQMCM-GUXCAODWSA-N 1 2 326.440 3.831 20 0 EHADLO CCOc1cccc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000769390150 1133275343 /nfs/dbraw/zinc/27/53/43/1133275343.db2.gz VFNDUKNAAGQMCM-GUXCAODWSA-N 1 2 326.440 3.831 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cncc3ccccc32)CC1 ZINC000769424430 1133283053 /nfs/dbraw/zinc/28/30/53/1133283053.db2.gz AKCAEDBRMJJREU-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)ccc2OC)cs1 ZINC001179863644 1133295361 /nfs/dbraw/zinc/29/53/61/1133295361.db2.gz QOGFFASFXZOGKN-UHFFFAOYSA-N 1 2 339.844 3.829 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)cs1 ZINC001179863644 1133295365 /nfs/dbraw/zinc/29/53/65/1133295365.db2.gz QOGFFASFXZOGKN-UHFFFAOYSA-N 1 2 339.844 3.829 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)oc21 ZINC000769498539 1133302912 /nfs/dbraw/zinc/30/29/12/1133302912.db2.gz KMBSXRHEOUBTSU-OAHLLOKOSA-N 1 2 331.412 3.748 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)oc21 ZINC000769498539 1133302918 /nfs/dbraw/zinc/30/29/18/1133302918.db2.gz KMBSXRHEOUBTSU-OAHLLOKOSA-N 1 2 331.412 3.748 20 0 EHADLO Fc1cccn2cc(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)nc12 ZINC000769557856 1133314926 /nfs/dbraw/zinc/31/49/26/1133314926.db2.gz CBKVJOCIHKXSLL-LBPRGKRZSA-N 1 2 331.341 3.741 20 0 EHADLO Fc1cccn2cc(C[N@H+]3CC[C@H](c4c(F)cccc4F)C3)nc12 ZINC000769557856 1133314930 /nfs/dbraw/zinc/31/49/30/1133314930.db2.gz CBKVJOCIHKXSLL-LBPRGKRZSA-N 1 2 331.341 3.741 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cc4cnccc4o3)CC2)c(Cl)c1 ZINC001180137380 1133328850 /nfs/dbraw/zinc/32/88/50/1133328850.db2.gz XSTHANHSFSITHV-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO Cc1ccc([C@@H](O)CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000769928233 1133367985 /nfs/dbraw/zinc/36/79/85/1133367985.db2.gz KHUQBMZNHBAPSK-UTKZUKDTSA-N 1 2 342.458 3.546 20 0 EHADLO COc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001180481516 1133375319 /nfs/dbraw/zinc/37/53/19/1133375319.db2.gz RUDDREMVLBYDPQ-UHFFFAOYSA-N 1 2 335.407 3.761 20 0 EHADLO CC(C)(C)OCc1cccc(CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC000770416622 1133426171 /nfs/dbraw/zinc/42/61/71/1133426171.db2.gz VJSRWAFGVXOWAW-UHFFFAOYSA-N 1 2 337.423 3.579 20 0 EHADLO O=C(Nc1cccc(Oc2ccccn2)c1)c1cccc2[nH+]ccn21 ZINC000770435201 1133429696 /nfs/dbraw/zinc/42/96/96/1133429696.db2.gz PHJQJGKREPHOHR-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C[N@@H+]1CCCc2cc(NC3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000770541721 1133443605 /nfs/dbraw/zinc/44/36/05/1133443605.db2.gz UHQLMNSUSGWZBP-UHFFFAOYSA-N 1 2 345.487 3.880 20 0 EHADLO C[N@H+]1CCCc2cc(NC3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000770541721 1133443608 /nfs/dbraw/zinc/44/36/08/1133443608.db2.gz UHQLMNSUSGWZBP-UHFFFAOYSA-N 1 2 345.487 3.880 20 0 EHADLO O=C(CCNc1c(Br)ccc2[nH+]ccn21)c1ccccc1 ZINC001170018237 1133471229 /nfs/dbraw/zinc/47/12/29/1133471229.db2.gz MGHJFTPBTYSRGR-UHFFFAOYSA-N 1 2 344.212 3.782 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(Br)cs1 ZINC000770924467 1133484873 /nfs/dbraw/zinc/48/48/73/1133484873.db2.gz IBKTXBNCFMNKQQ-UHFFFAOYSA-N 1 2 337.198 3.515 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000770926141 1133485341 /nfs/dbraw/zinc/48/53/41/1133485341.db2.gz QAMFAAUHWMZJPV-NWDGAFQWSA-N 1 2 326.318 3.746 20 0 EHADLO Cc1ccc(C)c(C(=O)CCC(=O)NCc2c[nH+]cn2C2CCC2)c1 ZINC001181473969 1133488229 /nfs/dbraw/zinc/48/82/29/1133488229.db2.gz DTRYLEXENABXPC-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO Cc1cc(OC(F)(F)F)ccc1CC(=O)Nc1cccc2[nH+]ccn21 ZINC001181715518 1133515547 /nfs/dbraw/zinc/51/55/47/1133515547.db2.gz QVYAKAHQDOVXRH-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000771144881 1133517675 /nfs/dbraw/zinc/51/76/75/1133517675.db2.gz FGTZPHUWSBUGHH-CJNGLKHVSA-N 1 2 334.391 3.612 20 0 EHADLO Cc1noc([C@@H]([NH2+]Cc2ccc(Br)cc2C)C(C)C)n1 ZINC000151979227 1133559459 /nfs/dbraw/zinc/55/94/59/1133559459.db2.gz WTXSLPVMPDGBSJ-AWEZNQCLSA-N 1 2 338.249 3.936 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000771673977 1133587894 /nfs/dbraw/zinc/58/78/94/1133587894.db2.gz JIXPZNRAEKLJJI-UHFFFAOYSA-N 1 2 342.786 3.631 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000771950206 1133619156 /nfs/dbraw/zinc/61/91/56/1133619156.db2.gz JBVVFUNIBAAMNB-NWDGAFQWSA-N 1 2 325.195 3.537 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(C)c1F ZINC001170039339 1133652056 /nfs/dbraw/zinc/65/20/56/1133652056.db2.gz NAUZXOWSXZUFQL-CQSZACIVSA-N 1 2 340.414 3.764 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(C)c1F ZINC001170039339 1133652058 /nfs/dbraw/zinc/65/20/58/1133652058.db2.gz NAUZXOWSXZUFQL-CQSZACIVSA-N 1 2 340.414 3.764 20 0 EHADLO C[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)[C@@H]1C(=O)OC(C)(C)C ZINC001182489433 1133694637 /nfs/dbraw/zinc/69/46/37/1133694637.db2.gz LTUVEXUZRXYHIG-GUYCJALGSA-N 1 2 339.426 3.950 20 0 EHADLO C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2F)[C@@H]1C(=O)OC(C)(C)C ZINC001182489433 1133694640 /nfs/dbraw/zinc/69/46/40/1133694640.db2.gz LTUVEXUZRXYHIG-GUYCJALGSA-N 1 2 339.426 3.950 20 0 EHADLO Fc1cc(Br)cnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000772662794 1133709091 /nfs/dbraw/zinc/70/90/91/1133709091.db2.gz YTUATMURERKDDD-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)C(=O)O1 ZINC000785506549 1133715107 /nfs/dbraw/zinc/71/51/07/1133715107.db2.gz YXXBYOSDHLXSJQ-MSOLQXFVSA-N 1 2 346.471 3.665 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CCCO[C@H](c3ccccc3)C2)C(=O)O1 ZINC000785506549 1133715113 /nfs/dbraw/zinc/71/51/13/1133715113.db2.gz YXXBYOSDHLXSJQ-MSOLQXFVSA-N 1 2 346.471 3.665 20 0 EHADLO Cc1cccc(COCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001183030279 1133759187 /nfs/dbraw/zinc/75/91/87/1133759187.db2.gz PALAGVGCXPGFND-QGZVFWFLSA-N 1 2 349.434 3.575 20 0 EHADLO CCc1[nH]c(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)cc1C(=O)OC ZINC001183453768 1133809744 /nfs/dbraw/zinc/80/97/44/1133809744.db2.gz GXXVABFAPDCAHG-UHFFFAOYSA-N 1 2 346.858 3.884 20 0 EHADLO CCc1[nH]c(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)cc1C(=O)OC ZINC001183453768 1133809749 /nfs/dbraw/zinc/80/97/49/1133809749.db2.gz GXXVABFAPDCAHG-UHFFFAOYSA-N 1 2 346.858 3.884 20 0 EHADLO O[C@H](COc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000774647214 1133822822 /nfs/dbraw/zinc/82/28/22/1133822822.db2.gz MJBBCAFKJWKJQA-MRXNPFEDSA-N 1 2 332.762 3.777 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774676170 1133848818 /nfs/dbraw/zinc/84/88/18/1133848818.db2.gz KMENXCGZDUCNRN-IBGZPJMESA-N 1 2 346.474 3.816 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774676170 1133848830 /nfs/dbraw/zinc/84/88/30/1133848830.db2.gz KMENXCGZDUCNRN-IBGZPJMESA-N 1 2 346.474 3.816 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774676175 1133848851 /nfs/dbraw/zinc/84/88/51/1133848851.db2.gz KMENXCGZDUCNRN-LJQANCHMSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774676175 1133848866 /nfs/dbraw/zinc/84/88/66/1133848866.db2.gz KMENXCGZDUCNRN-LJQANCHMSA-N 1 2 346.474 3.816 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752340 1133854151 /nfs/dbraw/zinc/85/41/51/1133854151.db2.gz MJLIGSFXXSFAFA-LJQANCHMSA-N 1 2 336.435 3.688 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752340 1133854158 /nfs/dbraw/zinc/85/41/58/1133854158.db2.gz MJLIGSFXXSFAFA-LJQANCHMSA-N 1 2 336.435 3.688 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)C1(C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC001183803695 1133861095 /nfs/dbraw/zinc/86/10/95/1133861095.db2.gz QZVRQAMOQSKYMR-OAHLLOKOSA-N 1 2 341.282 3.903 20 0 EHADLO Nc1ccc(CCC(=O)NCc2cccc(-c3ccc(F)cc3)c2)c[nH+]1 ZINC001183940337 1133874999 /nfs/dbraw/zinc/87/49/99/1133874999.db2.gz YMHZYGXVBHMPML-UHFFFAOYSA-N 1 2 349.409 3.719 20 0 EHADLO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC001183981353 1133884794 /nfs/dbraw/zinc/88/47/94/1133884794.db2.gz KTYNLWULEKPSPT-OTWHNJEPSA-N 1 2 331.406 3.891 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1nc(C(F)(F)F)n[nH]1 ZINC001184002645 1133887600 /nfs/dbraw/zinc/88/76/00/1133887600.db2.gz SCTDJZZKXZNZKD-HTQZYQBOSA-N 1 2 334.292 3.556 20 0 EHADLO CO[C@H](c1ccccc1)[C@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000786871920 1133914699 /nfs/dbraw/zinc/91/46/99/1133914699.db2.gz KPJCEVYJDVKPEK-KKSFZXQISA-N 1 2 340.467 3.836 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NC[C@](C)(OC)C1CC1 ZINC001184461463 1133943431 /nfs/dbraw/zinc/94/34/31/1133943431.db2.gz AQVKDVMIOGCMCO-IBGZPJMESA-N 1 2 331.460 3.690 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000787080255 1133947416 /nfs/dbraw/zinc/94/74/16/1133947416.db2.gz LDXOVNMJRRJNDQ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000787080255 1133947420 /nfs/dbraw/zinc/94/74/20/1133947420.db2.gz LDXOVNMJRRJNDQ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC(C)[N@H+](Cc1cc(Br)nn1C)Cc1ccccc1F ZINC000787087807 1133949139 /nfs/dbraw/zinc/94/91/39/1133949139.db2.gz FWHCFXSBEOUUTE-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO CC(C)[N@@H+](Cc1cc(Br)nn1C)Cc1ccccc1F ZINC000787087807 1133949144 /nfs/dbraw/zinc/94/91/44/1133949144.db2.gz FWHCFXSBEOUUTE-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO CN(C)c1cc(COC(=O)c2c[nH]cc2-c2ccccc2F)cc[nH+]1 ZINC000787201608 1133975568 /nfs/dbraw/zinc/97/55/68/1133975568.db2.gz ZIMFLJFZNJPHHK-UHFFFAOYSA-N 1 2 339.370 3.639 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000787206772 1133976374 /nfs/dbraw/zinc/97/63/74/1133976374.db2.gz VZFRINMDTSQJHJ-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000787206772 1133976377 /nfs/dbraw/zinc/97/63/77/1133976377.db2.gz VZFRINMDTSQJHJ-OAHLLOKOSA-N 1 2 342.277 3.638 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000746665204 1133981600 /nfs/dbraw/zinc/98/16/00/1133981600.db2.gz AEHAFJMGFYXSHW-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000746665204 1133981602 /nfs/dbraw/zinc/98/16/02/1133981602.db2.gz AEHAFJMGFYXSHW-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO CCc1cc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc(CC)[nH+]1 ZINC001184990606 1134017167 /nfs/dbraw/zinc/01/71/67/1134017167.db2.gz BSZIELXIJJRMBF-HXUWFJFHSA-N 1 2 339.439 3.936 20 0 EHADLO COC(=O)[C@@H]1CCc2cc(Nc3ccc[nH+]c3N3CCCC3)ccc21 ZINC001185041959 1134023803 /nfs/dbraw/zinc/02/38/03/1134023803.db2.gz ABJJVLKZLBFMCB-QGZVFWFLSA-N 1 2 337.423 3.628 20 0 EHADLO Cc1cccc([C@@H](CNc2cccc(Cl)n2)[NH+]2CCOCC2)c1 ZINC000787897365 1134057167 /nfs/dbraw/zinc/05/71/67/1134057167.db2.gz KEWFQFKZUJSIJM-MRXNPFEDSA-N 1 2 331.847 3.529 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)c(F)c1F ZINC001185285634 1134063586 /nfs/dbraw/zinc/06/35/86/1134063586.db2.gz SEKZBLBUGVEAGX-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO Cc1nc2c(ccn2C)c(NCC[C@@H]2CCc3ccc4c(c32)CCO4)[nH+]1 ZINC001170083842 1134106986 /nfs/dbraw/zinc/10/69/86/1134106986.db2.gz CYKWOHNGAORCAU-HNNXBMFYSA-N 1 2 348.450 3.744 20 0 EHADLO CCC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)CCC1 ZINC001185640679 1134116868 /nfs/dbraw/zinc/11/68/68/1134116868.db2.gz SHKHRYQKNHDTBG-UHFFFAOYSA-N 1 2 325.391 3.947 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OCC2CC2)cc1F ZINC001185863228 1134145137 /nfs/dbraw/zinc/14/51/37/1134145137.db2.gz XJDADQUSBJAIHN-UHFFFAOYSA-N 1 2 325.343 3.515 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000788836564 1134179137 /nfs/dbraw/zinc/17/91/37/1134179137.db2.gz HILMBNSZOSKVAL-OAHLLOKOSA-N 1 2 341.455 3.631 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000788960038 1134195611 /nfs/dbraw/zinc/19/56/11/1134195611.db2.gz AZAYQZVOEPZVSS-UYBFGJLMSA-N 1 2 340.389 3.712 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000788960038 1134195612 /nfs/dbraw/zinc/19/56/12/1134195612.db2.gz AZAYQZVOEPZVSS-UYBFGJLMSA-N 1 2 340.389 3.712 20 0 EHADLO CSc1ccccc1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001186739238 1134249566 /nfs/dbraw/zinc/24/95/66/1134249566.db2.gz RUXGAYGQKLGNQM-HNNXBMFYSA-N 1 2 343.452 3.879 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC000075023320 1134268933 /nfs/dbraw/zinc/26/89/33/1134268933.db2.gz QFWVCWTXLDIBOW-WMLDXEAASA-N 1 2 337.872 3.683 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1)c1ccccc1 ZINC000075023320 1134268938 /nfs/dbraw/zinc/26/89/38/1134268938.db2.gz QFWVCWTXLDIBOW-WMLDXEAASA-N 1 2 337.872 3.683 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c(=S)o2)cc1 ZINC000789543393 1134294512 /nfs/dbraw/zinc/29/45/12/1134294512.db2.gz CBWIPSQILIGBKC-GOSISDBHSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@]4(C3)CCCOC4)c(=S)o2)cc1 ZINC000789543393 1134294514 /nfs/dbraw/zinc/29/45/14/1134294514.db2.gz CBWIPSQILIGBKC-GOSISDBHSA-N 1 2 345.468 3.641 20 0 EHADLO CC(C)c1cc(NCC(C)(C)[C@@]2(O)CCCOC2)nc(C(C)C)[nH+]1 ZINC001187122882 1134300530 /nfs/dbraw/zinc/30/05/30/1134300530.db2.gz AGVZCWCLRWGUJT-LJQANCHMSA-N 1 2 335.492 3.703 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cccc(Cl)n3)ccc21 ZINC001273535168 1134302155 /nfs/dbraw/zinc/30/21/55/1134302155.db2.gz AEAVHLVCMVNAAB-UHFFFAOYSA-N 1 2 326.787 3.602 20 0 EHADLO Cc1cnc(Nc2cc(C)c[nH+]c2C)c(I)c1 ZINC001203655154 1134304975 /nfs/dbraw/zinc/30/49/75/1134304975.db2.gz WWCBHQIRMDRKJE-UHFFFAOYSA-N 1 2 339.180 3.750 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001187637859 1134359898 /nfs/dbraw/zinc/35/98/98/1134359898.db2.gz UZXWJLWPBIFXRZ-INIZCTEOSA-N 1 2 337.414 3.586 20 0 EHADLO C=Cc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)cc1 ZINC000790113332 1134369161 /nfs/dbraw/zinc/36/91/61/1134369161.db2.gz VBRHMUNVPGJKAS-UHFFFAOYSA-N 1 2 325.408 3.839 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CN3CCc4ccccc43)c2)[nH+]c1C ZINC000746880957 1134374685 /nfs/dbraw/zinc/37/46/85/1134374685.db2.gz HCKNQTIZFHECAA-UHFFFAOYSA-N 1 2 346.434 3.695 20 0 EHADLO S=C(Nc1ccsc1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000790319782 1134395479 /nfs/dbraw/zinc/39/54/79/1134395479.db2.gz JHVCJRPTMHBGJD-OAHLLOKOSA-N 1 2 340.477 3.945 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)s1 ZINC000790467955 1134426623 /nfs/dbraw/zinc/42/66/23/1134426623.db2.gz NDZCAMPKDHJDKC-UHFFFAOYSA-N 1 2 337.876 3.822 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000790504789 1134428534 /nfs/dbraw/zinc/42/85/34/1134428534.db2.gz OMIXFBZCNPPNGT-WQDJSCAQSA-N 1 2 332.488 3.916 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001188285020 1134450066 /nfs/dbraw/zinc/45/00/66/1134450066.db2.gz OAONMKSIMONWMQ-CQSZACIVSA-N 1 2 344.352 3.570 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001188720787 1134500890 /nfs/dbraw/zinc/50/08/90/1134500890.db2.gz ZCGOWPTWMFYNDB-UHFFFAOYSA-N 1 2 343.805 3.596 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCC(=O)c1ccccc1 ZINC000791261023 1134522950 /nfs/dbraw/zinc/52/29/50/1134522950.db2.gz YLZSBBLCOSBWDU-UHFFFAOYSA-N 1 2 348.402 3.887 20 0 EHADLO CC(C)CCCSCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001189051574 1134537253 /nfs/dbraw/zinc/53/72/53/1134537253.db2.gz XCVOODBSFFLIRU-UHFFFAOYSA-N 1 2 340.558 3.562 20 0 EHADLO CC[C@H]1C[C@H](CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791448872 1134553083 /nfs/dbraw/zinc/55/30/83/1134553083.db2.gz OIPBNUKRLQBRBZ-APWZRJJASA-N 1 2 342.439 3.819 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791838986 1134617832 /nfs/dbraw/zinc/61/78/32/1134617832.db2.gz PQNRDWFZUDBITP-VXGBXAGGSA-N 1 2 337.206 3.818 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792084503 1134652788 /nfs/dbraw/zinc/65/27/88/1134652788.db2.gz JADKHHOIWPDDDD-NVXWUHKLSA-N 1 2 334.460 3.863 20 0 EHADLO CCCCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)c(Cl)c1 ZINC000792140399 1134655778 /nfs/dbraw/zinc/65/57/78/1134655778.db2.gz FLNGFQROSCOEGJ-UHFFFAOYSA-N 1 2 334.803 3.853 20 0 EHADLO CCc1cn(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC001190104547 1134656581 /nfs/dbraw/zinc/65/65/81/1134656581.db2.gz STCHCZTVHGCIAS-JTQLQIEISA-N 1 2 326.227 3.630 20 0 EHADLO CC[C@H](NC(=O)c1ccccc1-n1cc[nH+]c1)c1ccccc1OC ZINC001190108031 1134656618 /nfs/dbraw/zinc/65/66/18/1134656618.db2.gz YLANYNBQXGSWNW-KRWDZBQOSA-N 1 2 335.407 3.762 20 0 EHADLO COc1ccc([C@H](NC(=O)c2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC001190106852 1134656682 /nfs/dbraw/zinc/65/66/82/1134656682.db2.gz MEBXTXMADDMDSV-HXUWFJFHSA-N 1 2 347.418 3.762 20 0 EHADLO COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-n2cc[nH+]c2)C1 ZINC001190075369 1134658366 /nfs/dbraw/zinc/65/83/66/1134658366.db2.gz QOFNKEZJQXWSAF-MRXNPFEDSA-N 1 2 347.418 3.511 20 0 EHADLO O=C(N[C@@H]1CCc2c1c(F)ccc2F)c1ccccc1-n1cc[nH+]c1 ZINC001190112150 1134661448 /nfs/dbraw/zinc/66/14/48/1134661448.db2.gz DOGYWOKKYOUGMY-MRXNPFEDSA-N 1 2 339.345 3.568 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)Nc1cccc2nsnc21 ZINC001190303519 1134676889 /nfs/dbraw/zinc/67/68/89/1134676889.db2.gz GGUSMUYATCZQJL-UHFFFAOYSA-N 1 2 336.380 3.521 20 0 EHADLO COc1ccc(-c2cccc(C(=O)NCCOc3cc[nH+]cc3)c2)cc1 ZINC001190332282 1134684244 /nfs/dbraw/zinc/68/42/44/1134684244.db2.gz RXVVWCDQGHXXOY-UHFFFAOYSA-N 1 2 348.402 3.566 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccccc1Cl)[C@@H]2C ZINC001170274377 1134729490 /nfs/dbraw/zinc/72/94/90/1134729490.db2.gz QQVKSHXJZQBGAC-ZIAGYGMSSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1Cl)[C@@H]2C ZINC001170274377 1134729495 /nfs/dbraw/zinc/72/94/95/1134729495.db2.gz QQVKSHXJZQBGAC-ZIAGYGMSSA-N 1 2 333.863 3.691 20 0 EHADLO FC(F)CN1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC001190642535 1134730557 /nfs/dbraw/zinc/73/05/57/1134730557.db2.gz DCKAWABESYAYAG-UHFFFAOYSA-N 1 2 340.361 3.681 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC001170287845 1134742165 /nfs/dbraw/zinc/74/21/65/1134742165.db2.gz JOCLNSOYTQWBRK-HNNXBMFYSA-N 1 2 336.907 3.851 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1N1CCCC1 ZINC001191214506 1134818449 /nfs/dbraw/zinc/81/84/49/1134818449.db2.gz DMUXBANPQLOVQC-UHFFFAOYSA-N 1 2 332.407 3.725 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1F)NC1CCCCCC1 ZINC001191285496 1134841252 /nfs/dbraw/zinc/84/12/52/1134841252.db2.gz QENDBISNVGDYPD-UHFFFAOYSA-N 1 2 344.434 3.593 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001191486271 1134871058 /nfs/dbraw/zinc/87/10/58/1134871058.db2.gz OLBLYCKVHKBYKT-QGZVFWFLSA-N 1 2 349.837 3.983 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001191486271 1134871065 /nfs/dbraw/zinc/87/10/65/1134871065.db2.gz OLBLYCKVHKBYKT-QGZVFWFLSA-N 1 2 349.837 3.983 20 0 EHADLO CC[C@@H](C(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793236656 1134881710 /nfs/dbraw/zinc/88/17/10/1134881710.db2.gz BAMVLDAIIJXHKD-OAHLLOKOSA-N 1 2 340.345 3.718 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc(C)oc2C)sc1C ZINC000793243478 1134887136 /nfs/dbraw/zinc/88/71/36/1134887136.db2.gz RSVKLGOCURNPGH-CQSZACIVSA-N 1 2 334.441 3.785 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc(C)oc2C)sc1C ZINC000793243478 1134887137 /nfs/dbraw/zinc/88/71/37/1134887137.db2.gz RSVKLGOCURNPGH-CQSZACIVSA-N 1 2 334.441 3.785 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1Sc1ccccc1 ZINC000793252476 1134890420 /nfs/dbraw/zinc/89/04/20/1134890420.db2.gz MEKHYRNMJBFRBV-UHFFFAOYSA-N 1 2 338.432 3.971 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2coc3cc(F)ccc23)c1C ZINC000793299957 1134898035 /nfs/dbraw/zinc/89/80/35/1134898035.db2.gz SMDMYZNEBJNPJR-UHFFFAOYSA-N 1 2 328.343 3.522 20 0 EHADLO CCOC(=O)C1([NH2+]CCn2ccc3cc(Cl)ccc32)CCCC1 ZINC001192023016 1134957650 /nfs/dbraw/zinc/95/76/50/1134957650.db2.gz VFFOYVZWXRIMEK-UHFFFAOYSA-N 1 2 334.847 3.760 20 0 EHADLO CCCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291122 1134994371 /nfs/dbraw/zinc/99/43/71/1134994371.db2.gz ABSQXLVBUDZREB-AWEZNQCLSA-N 1 2 328.250 3.785 20 0 EHADLO CCCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291122 1134994379 /nfs/dbraw/zinc/99/43/79/1134994379.db2.gz ABSQXLVBUDZREB-AWEZNQCLSA-N 1 2 328.250 3.785 20 0 EHADLO Cc1cc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)ccc1F ZINC001192357347 1135004978 /nfs/dbraw/zinc/00/49/78/1135004978.db2.gz NTSDRXNASDLYKQ-UHFFFAOYSA-N 1 2 329.375 3.604 20 0 EHADLO CCc1c(Br)cccc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001192409612 1135015509 /nfs/dbraw/zinc/01/55/09/1135015509.db2.gz ADLRPPGIVDVEFN-UHFFFAOYSA-N 1 2 345.240 3.569 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)cnc1Cl ZINC001192533776 1135032532 /nfs/dbraw/zinc/03/25/32/1135032532.db2.gz IBXZCTZYMCHEBD-UHFFFAOYSA-N 1 2 337.832 3.507 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000775537830 1135038718 /nfs/dbraw/zinc/03/87/18/1135038718.db2.gz QFMDANLEOLISQI-GDBMZVCRSA-N 1 2 329.444 3.625 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000775583327 1135118834 /nfs/dbraw/zinc/11/88/34/1135118834.db2.gz SKSFFCONOLWJID-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000775583327 1135118836 /nfs/dbraw/zinc/11/88/36/1135118836.db2.gz SKSFFCONOLWJID-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC001193324672 1135125401 /nfs/dbraw/zinc/12/54/01/1135125401.db2.gz QBGFCRLEJOZLHP-LPHOPBHVSA-N 1 2 327.399 3.838 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC001193324672 1135125403 /nfs/dbraw/zinc/12/54/03/1135125403.db2.gz QBGFCRLEJOZLHP-LPHOPBHVSA-N 1 2 327.399 3.838 20 0 EHADLO CCCC[C@H](CC)COC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001193966397 1135207901 /nfs/dbraw/zinc/20/79/01/1135207901.db2.gz VPBNDNSPHUOXDN-AWEZNQCLSA-N 1 2 332.435 3.755 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193983536 1135209959 /nfs/dbraw/zinc/20/99/59/1135209959.db2.gz ISONLRJQIDHDEF-IAGOWNOFSA-N 1 2 333.476 3.993 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2Cc3cccc(Cl)c3C2)c1C ZINC000805028639 1135225726 /nfs/dbraw/zinc/22/57/26/1135225726.db2.gz AZSBPBJFUFEHGR-UHFFFAOYSA-N 1 2 345.830 3.586 20 0 EHADLO Cc1oc(-c2cccs2)nc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001130042884 1135226075 /nfs/dbraw/zinc/22/60/75/1135226075.db2.gz HOMLGUMEBXGCBF-UHFFFAOYSA-N 1 2 327.409 3.653 20 0 EHADLO O=C(Oc1ccccc1)N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001194240037 1135248579 /nfs/dbraw/zinc/24/85/79/1135248579.db2.gz IIYXZGJIDYRTPE-UHFFFAOYSA-N 1 2 333.391 3.556 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC001194246845 1135250619 /nfs/dbraw/zinc/25/06/19/1135250619.db2.gz AAVRSRZBEWWVNN-HNNXBMFYSA-N 1 2 328.387 3.703 20 0 EHADLO CC(C)(C)COC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001194413714 1135266508 /nfs/dbraw/zinc/26/65/08/1135266508.db2.gz SBEJQFIQVLFZBR-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ncnn1-c1ccccc1)C2 ZINC001194551026 1135284698 /nfs/dbraw/zinc/28/46/98/1135284698.db2.gz CSTKCAWAOOIUIE-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1ncnn1-c1ccccc1)C2 ZINC001194551026 1135284702 /nfs/dbraw/zinc/28/47/02/1135284702.db2.gz CSTKCAWAOOIUIE-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC001194600568 1135291558 /nfs/dbraw/zinc/29/15/58/1135291558.db2.gz WFCWPMKXOGTAFU-DYVFJYSZSA-N 1 2 326.843 3.683 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC001194600568 1135291561 /nfs/dbraw/zinc/29/15/61/1135291561.db2.gz WFCWPMKXOGTAFU-DYVFJYSZSA-N 1 2 326.843 3.683 20 0 EHADLO CC[C@H]1CC([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484407 1135295313 /nfs/dbraw/zinc/29/53/13/1135295313.db2.gz NKFFBMAFRHRISL-DARAHFNDSA-N 1 2 346.462 3.935 20 0 EHADLO CC[C@H]1CC([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484407 1135295319 /nfs/dbraw/zinc/29/53/19/1135295319.db2.gz NKFFBMAFRHRISL-DARAHFNDSA-N 1 2 346.462 3.935 20 0 EHADLO CC(C)(C(=O)OCC(=O)c1csc2ccccc12)[NH+]1CCCC1 ZINC000805612243 1135296904 /nfs/dbraw/zinc/29/69/04/1135296904.db2.gz KLIZFLVODLDMLI-UHFFFAOYSA-N 1 2 331.437 3.502 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000805684923 1135311829 /nfs/dbraw/zinc/31/18/29/1135311829.db2.gz XQNQPCINFZOVGF-HNNXBMFYSA-N 1 2 349.434 3.618 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nn2)[C@@H](c2ccco2)C1 ZINC000775608697 1135313702 /nfs/dbraw/zinc/31/37/02/1135313702.db2.gz FCFBGWLSADGIAE-QFBILLFUSA-N 1 2 336.439 3.893 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@@H](c2ccco2)C1 ZINC000775608697 1135313706 /nfs/dbraw/zinc/31/37/06/1135313706.db2.gz FCFBGWLSADGIAE-QFBILLFUSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1ccc(CC2CC[NH+](Cc3nnc(C(C)C)[nH]3)CC2)cc1C ZINC001194856131 1135330361 /nfs/dbraw/zinc/33/03/61/1135330361.db2.gz XODVQFGNPKIFBF-UHFFFAOYSA-N 1 2 326.488 4.000 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cccc3c2C(=O)CCC3)c1 ZINC001194907757 1135339335 /nfs/dbraw/zinc/33/93/35/1135339335.db2.gz QYMMTCRDBDVOGX-UHFFFAOYSA-N 1 2 345.402 3.858 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930528 1135368742 /nfs/dbraw/zinc/36/87/42/1135368742.db2.gz RWXISYKJZRHHBF-LBPRGKRZSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930528 1135368746 /nfs/dbraw/zinc/36/87/46/1135368746.db2.gz RWXISYKJZRHHBF-LBPRGKRZSA-N 1 2 337.341 3.766 20 0 EHADLO Cc1cc(COC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cs1 ZINC000806023145 1135374670 /nfs/dbraw/zinc/37/46/70/1135374670.db2.gz DRJYGPWDYVJUDU-UHFFFAOYSA-N 1 2 336.363 3.736 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806129801 1135396495 /nfs/dbraw/zinc/39/64/95/1135396495.db2.gz JZYCSKDNTMLNRU-AEFFLSMTSA-N 1 2 338.842 3.835 20 0 EHADLO Clc1cccc(C2([NH2+]Cc3cn(Cc4ccccc4)nn3)CC2)c1 ZINC000775654051 1135423776 /nfs/dbraw/zinc/42/37/76/1135423776.db2.gz JIOXMPZJCMYYKZ-UHFFFAOYSA-N 1 2 338.842 3.759 20 0 EHADLO Brc1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)ccn1 ZINC000829897775 1135450380 /nfs/dbraw/zinc/45/03/80/1135450380.db2.gz MDEQYDJZYYAFDO-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cc(C[N@H+]2CCC=C(c3cccnc3)C2)ccn1 ZINC000829897775 1135450382 /nfs/dbraw/zinc/45/03/82/1135450382.db2.gz MDEQYDJZYYAFDO-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001195851865 1135475434 /nfs/dbraw/zinc/47/54/34/1135475434.db2.gz QSCIRELJYFLEFD-GOSISDBHSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001195851865 1135475436 /nfs/dbraw/zinc/47/54/36/1135475436.db2.gz QSCIRELJYFLEFD-GOSISDBHSA-N 1 2 326.440 3.668 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](c3ccccc3F)C(C)C)ccn12 ZINC001130890716 1135533761 /nfs/dbraw/zinc/53/37/61/1135533761.db2.gz GWTKHAKJCIVIFC-SFHVURJKSA-N 1 2 325.387 3.909 20 0 EHADLO FC(F)(F)Cn1cnn(C[NH+]2CCC3(CCCCC3)CC2)c1=S ZINC000102393409 1135540019 /nfs/dbraw/zinc/54/00/19/1135540019.db2.gz YVUAAJYUMJOSNI-UHFFFAOYSA-N 1 2 348.438 3.980 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C3CC4(CC4)C3)n2)C1 ZINC000867180896 1135577740 /nfs/dbraw/zinc/57/77/40/1135577740.db2.gz IWLPIARHEBIQCR-KRWDZBQOSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C3CC4(CC4)C3)n2)C1 ZINC000867180896 1135577744 /nfs/dbraw/zinc/57/77/44/1135577744.db2.gz IWLPIARHEBIQCR-KRWDZBQOSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C[C@H](C)C3CC3)n2)C1 ZINC000867183447 1135583987 /nfs/dbraw/zinc/58/39/87/1135583987.db2.gz GBTHJUKEWXGFHP-YJBOKZPZSA-N 1 2 341.455 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C[C@H](C)C3CC3)n2)C1 ZINC000867183447 1135583991 /nfs/dbraw/zinc/58/39/91/1135583991.db2.gz GBTHJUKEWXGFHP-YJBOKZPZSA-N 1 2 341.455 3.540 20 0 EHADLO FC(F)(F)[C@H]1CC=C(Nc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001196768400 1135604337 /nfs/dbraw/zinc/60/43/37/1135604337.db2.gz QQLMVUDHDKMCDO-LBPRGKRZSA-N 1 2 327.350 3.576 20 0 EHADLO Cc1cc(NC[C@@H](O)c2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH+]1 ZINC000808071978 1135612273 /nfs/dbraw/zinc/61/22/73/1135612273.db2.gz QUIVFZUGCWEEMW-CQSZACIVSA-N 1 2 337.345 3.827 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001196769721 1135612967 /nfs/dbraw/zinc/61/29/67/1135612967.db2.gz ABUFZTVCKDHYBX-BXUZGUMPSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001196769721 1135612971 /nfs/dbraw/zinc/61/29/71/1135612971.db2.gz ABUFZTVCKDHYBX-BXUZGUMPSA-N 1 2 342.842 3.967 20 0 EHADLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2cnsc2)c1 ZINC001131165516 1135626808 /nfs/dbraw/zinc/62/68/08/1135626808.db2.gz AQVVEXSTOKFRSG-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2cnsc2)c1 ZINC001131165516 1135626810 /nfs/dbraw/zinc/62/68/10/1135626810.db2.gz AQVVEXSTOKFRSG-KRWDZBQOSA-N 1 2 330.453 3.549 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)Nc1ccc(F)cc1 ZINC001196934129 1135627419 /nfs/dbraw/zinc/62/74/19/1135627419.db2.gz HVNIAXAEWKNCJK-UHFFFAOYSA-N 1 2 340.427 3.840 20 0 EHADLO FC(F)c1ccnc(C[NH2+]Cc2ccccc2N2CCCCC2)n1 ZINC000808434769 1135666813 /nfs/dbraw/zinc/66/68/13/1135666813.db2.gz FGDPCEJFKUHILW-UHFFFAOYSA-N 1 2 332.398 3.694 20 0 EHADLO OCC[C@@H]([NH2+]Cc1occc1Br)c1ccc(Cl)cc1 ZINC000808430770 1135675141 /nfs/dbraw/zinc/67/51/41/1135675141.db2.gz YRLIEALVWWLPLC-CYBMUJFWSA-N 1 2 344.636 3.909 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cn1cc(Cl)cn1 ZINC000766090872 1135710449 /nfs/dbraw/zinc/71/04/49/1135710449.db2.gz ZRROVWZVFYIKTA-UHFFFAOYSA-N 1 2 328.641 3.697 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cn1cc(Cl)cn1 ZINC000766090872 1135710453 /nfs/dbraw/zinc/71/04/53/1135710453.db2.gz ZRROVWZVFYIKTA-UHFFFAOYSA-N 1 2 328.641 3.697 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)NCc1ccc(Cl)cc1 ZINC001197600772 1135712901 /nfs/dbraw/zinc/71/29/01/1135712901.db2.gz DFVSEDXYWBXLBE-UHFFFAOYSA-N 1 2 348.903 3.501 20 0 EHADLO COCOc1ccc(OC)cc1CNc1c[nH+]ccc1OC(C)(C)C ZINC000121481533 1135719138 /nfs/dbraw/zinc/71/91/38/1135719138.db2.gz GORVLYCJFNBQBW-UHFFFAOYSA-N 1 2 346.427 3.862 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2COC(C)(C)C)c(Cl)c1 ZINC001197629972 1135720570 /nfs/dbraw/zinc/72/05/70/1135720570.db2.gz KWRPVOZVWUYOCM-CQSZACIVSA-N 1 2 338.879 3.866 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2COC(C)(C)C)c(Cl)c1 ZINC001197629972 1135720574 /nfs/dbraw/zinc/72/05/74/1135720574.db2.gz KWRPVOZVWUYOCM-CQSZACIVSA-N 1 2 338.879 3.866 20 0 EHADLO O[C@@H](CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000808747618 1135726996 /nfs/dbraw/zinc/72/69/96/1135726996.db2.gz SLWMWFLFHZYRGD-RBUKOAKNSA-N 1 2 331.843 3.837 20 0 EHADLO O[C@@H](CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000808747618 1135726999 /nfs/dbraw/zinc/72/69/99/1135726999.db2.gz SLWMWFLFHZYRGD-RBUKOAKNSA-N 1 2 331.843 3.837 20 0 EHADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892270 1135747164 /nfs/dbraw/zinc/74/71/64/1135747164.db2.gz UWCIVWSNVYCNCN-CMPLNLGQSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197892270 1135747168 /nfs/dbraw/zinc/74/71/68/1135747168.db2.gz UWCIVWSNVYCNCN-CMPLNLGQSA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC001198003183 1135760693 /nfs/dbraw/zinc/76/06/93/1135760693.db2.gz YOUBTIIDODPBAE-CQSZACIVSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC001198003183 1135760696 /nfs/dbraw/zinc/76/06/96/1135760696.db2.gz YOUBTIIDODPBAE-CQSZACIVSA-N 1 2 329.271 3.873 20 0 EHADLO C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081455207 1135766950 /nfs/dbraw/zinc/76/69/50/1135766950.db2.gz NSLWYCWVAQSDSZ-OAHLLOKOSA-N 1 2 339.464 3.696 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccsc1Cl)c1ccccc1 ZINC001131587333 1135793049 /nfs/dbraw/zinc/79/30/49/1135793049.db2.gz RFJOLXNXLTZNNN-CQSZACIVSA-N 1 2 345.855 3.849 20 0 EHADLO CCNc1cc(CNC(=O)Nc2ccc(OCC)c(Cl)c2)cc[nH+]1 ZINC001198402849 1135810643 /nfs/dbraw/zinc/81/06/43/1135810643.db2.gz GYEDIUYPGLMGFP-UHFFFAOYSA-N 1 2 348.834 3.887 20 0 EHADLO Cc1cc2cccc(C(=O)N3CCC4(CCn5c(C)c[nH+]c54)CC3)c2[nH]1 ZINC001198559852 1135830740 /nfs/dbraw/zinc/83/07/40/1135830740.db2.gz GHVNHTGFQCJTIC-UHFFFAOYSA-N 1 2 348.450 3.559 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131733023 1135846061 /nfs/dbraw/zinc/84/60/61/1135846061.db2.gz RYEUDPYAQYTJBQ-SFHVURJKSA-N 1 2 346.515 3.946 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c(C)c1OC ZINC000809582374 1135853568 /nfs/dbraw/zinc/85/35/68/1135853568.db2.gz XKSFOANVXRYBKX-DNVCBOLYSA-N 1 2 341.451 3.974 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c(C)c1OC ZINC000809582374 1135853571 /nfs/dbraw/zinc/85/35/71/1135853571.db2.gz XKSFOANVXRYBKX-DNVCBOLYSA-N 1 2 341.451 3.974 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1ncc(C2OCCO2)s1)C1CC1 ZINC000809545320 1135854713 /nfs/dbraw/zinc/85/47/13/1135854713.db2.gz BEYXLFBFARZXSN-UHFFFAOYSA-N 1 2 330.453 3.662 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1ncc(C2OCCO2)s1)C1CC1 ZINC000809545320 1135854716 /nfs/dbraw/zinc/85/47/16/1135854716.db2.gz BEYXLFBFARZXSN-UHFFFAOYSA-N 1 2 330.453 3.662 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001199564621 1135911830 /nfs/dbraw/zinc/91/18/30/1135911830.db2.gz ZLPJFNGDTNPTHR-GASCZTMLSA-N 1 2 346.450 3.658 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)NC1CCCCCC1 ZINC001199970027 1135941770 /nfs/dbraw/zinc/94/17/70/1135941770.db2.gz ICNNCARLLRUSAG-UHFFFAOYSA-N 1 2 342.512 3.901 20 0 EHADLO C[C@@H](c1nc(C(C)(C)c2ccccc2Br)no1)[NH+](C)C ZINC000810338343 1135957849 /nfs/dbraw/zinc/95/78/49/1135957849.db2.gz SJQKJXNBHGKGLO-JTQLQIEISA-N 1 2 338.249 3.781 20 0 EHADLO FCCn1c[nH+]cc1CNC(=S)Nc1cccc(Cl)c1Cl ZINC001201027393 1135979290 /nfs/dbraw/zinc/97/92/90/1135979290.db2.gz PLMLVQALTLWUAE-UHFFFAOYSA-N 1 2 347.246 3.646 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC001132371449 1135986939 /nfs/dbraw/zinc/98/69/39/1135986939.db2.gz FVOIBRYLJMYBHD-IBGZPJMESA-N 1 2 346.515 3.528 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC001132371449 1135986940 /nfs/dbraw/zinc/98/69/40/1135986940.db2.gz FVOIBRYLJMYBHD-IBGZPJMESA-N 1 2 346.515 3.528 20 0 EHADLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1F ZINC000810660630 1135995163 /nfs/dbraw/zinc/99/51/63/1135995163.db2.gz MGTZFLXVCWZXBM-HNNXBMFYSA-N 1 2 338.382 3.917 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001201279560 1136000240 /nfs/dbraw/zinc/00/02/40/1136000240.db2.gz QSZJRLYSGLNXJD-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Nc1ccc(Nc2c(Cl)cccc2I)c[nH+]1 ZINC001201286986 1136001224 /nfs/dbraw/zinc/00/12/24/1136001224.db2.gz MGWWRNQMDSOXLH-UHFFFAOYSA-N 1 2 345.571 3.665 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000810755557 1136003340 /nfs/dbraw/zinc/00/33/40/1136003340.db2.gz VIWGPUIVSYGCQG-UHFFFAOYSA-N 1 2 341.798 3.796 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(s2)CCCCC3)c1C ZINC000747672459 1136040246 /nfs/dbraw/zinc/04/02/46/1136040246.db2.gz YLKFYVZZUOAMPZ-UHFFFAOYSA-N 1 2 344.480 3.967 20 0 EHADLO CCN(CC)c1ccc(NCc2ccc(Br)nc2)c[nH+]1 ZINC001201572892 1136042377 /nfs/dbraw/zinc/04/23/77/1136042377.db2.gz GDQWXMWKKCJBIH-UHFFFAOYSA-N 1 2 335.249 3.697 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCc1cccc(F)c1 ZINC000811109817 1136046594 /nfs/dbraw/zinc/04/65/94/1136046594.db2.gz VCAOXFCNZNUNSY-UHFFFAOYSA-N 1 2 348.324 3.548 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSc1ccc(Cl)cc1 ZINC001132621963 1136047096 /nfs/dbraw/zinc/04/70/96/1136047096.db2.gz JZXVKYDSRCTCJV-KRWDZBQOSA-N 1 2 346.883 3.735 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSc1ccc(Cl)cc1 ZINC001132621963 1136047098 /nfs/dbraw/zinc/04/70/98/1136047098.db2.gz JZXVKYDSRCTCJV-KRWDZBQOSA-N 1 2 346.883 3.735 20 0 EHADLO CC[C@@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)c1ccc(F)cc1 ZINC001201626000 1136049110 /nfs/dbraw/zinc/04/91/10/1136049110.db2.gz HKWBBSBTWNNYNO-MRXNPFEDSA-N 1 2 335.448 3.896 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)s1 ZINC001201920176 1136074626 /nfs/dbraw/zinc/07/46/26/1136074626.db2.gz MXUWCOAKQXDDME-NSHDSACASA-N 1 2 347.875 3.596 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)Nc3ccc(F)cc3F)c[nH+]c12 ZINC001202026319 1136082820 /nfs/dbraw/zinc/08/28/20/1136082820.db2.gz ABESXWBZVLKJEC-NSHDSACASA-N 1 2 330.338 3.804 20 0 EHADLO O=C(Nc1ccccc1Cl)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202061376 1136087516 /nfs/dbraw/zinc/08/75/16/1136087516.db2.gz KCLOQFKWSRMGTJ-AWEZNQCLSA-N 1 2 343.805 3.677 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1c(F)cccc1F ZINC001202042078 1136090870 /nfs/dbraw/zinc/09/08/70/1136090870.db2.gz MOQBADKLYKMPSQ-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1c(Cl)cccc1Cl ZINC001202100477 1136094481 /nfs/dbraw/zinc/09/44/81/1136094481.db2.gz BLADQDPJISXDJM-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1c(Cl)cccc1Cl ZINC001202113850 1136100917 /nfs/dbraw/zinc/10/09/17/1136100917.db2.gz ORHHCHIHUPGGTB-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000776251086 1136101729 /nfs/dbraw/zinc/10/17/29/1136101729.db2.gz POIQNNRZJAZMFN-HNNXBMFYSA-N 1 2 327.380 3.602 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)[C@@H]1C1CC1 ZINC000811746130 1136128746 /nfs/dbraw/zinc/12/87/46/1136128746.db2.gz SCNWKMGAKOKQDS-DLBZAZTESA-N 1 2 334.410 3.706 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)[C@@H]1C1CC1 ZINC000811746130 1136128748 /nfs/dbraw/zinc/12/87/48/1136128748.db2.gz SCNWKMGAKOKQDS-DLBZAZTESA-N 1 2 334.410 3.706 20 0 EHADLO COc1cc(OC)cc(Oc2cccc(C[NH2+]Cc3ccon3)c2)c1 ZINC001202366395 1136134231 /nfs/dbraw/zinc/13/42/31/1136134231.db2.gz MYMQARAJVPJNFY-UHFFFAOYSA-N 1 2 340.379 3.774 20 0 EHADLO C[C@H]1C[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)CCC1(F)F ZINC000811778640 1136134354 /nfs/dbraw/zinc/13/43/54/1136134354.db2.gz DCHIJYLEHUXYTO-LBPRGKRZSA-N 1 2 343.805 3.517 20 0 EHADLO C[C@H]1C[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)CCC1(F)F ZINC000811778640 1136134357 /nfs/dbraw/zinc/13/43/57/1136134357.db2.gz DCHIJYLEHUXYTO-LBPRGKRZSA-N 1 2 343.805 3.517 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3C[C@H](C)CCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811750788 1136135277 /nfs/dbraw/zinc/13/52/77/1136135277.db2.gz FEAUMDYMFPQGTD-SJLPKXTDSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3C[C@H](C)CCC[C@H]3C)c(=O)cc2C)cc1 ZINC000811750788 1136135280 /nfs/dbraw/zinc/13/52/80/1136135280.db2.gz FEAUMDYMFPQGTD-SJLPKXTDSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC(C)(C4CC4)CC3)n2c(C)c1C ZINC000811784657 1136135287 /nfs/dbraw/zinc/13/52/87/1136135287.db2.gz FSHMYIOGLIAIHC-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO CC(C)c1cn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(=S)n1C ZINC000811791049 1136140734 /nfs/dbraw/zinc/14/07/34/1136140734.db2.gz FLSQECMHWFNRKU-HOTGVXAUSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)c1cn(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(=S)n1C ZINC000811791049 1136140736 /nfs/dbraw/zinc/14/07/36/1136140736.db2.gz FLSQECMHWFNRKU-HOTGVXAUSA-N 1 2 335.517 3.670 20 0 EHADLO Cc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)c(N(C)C)[nH+]1 ZINC001202394154 1136141361 /nfs/dbraw/zinc/14/13/61/1136141361.db2.gz CAZYDHSGFLVPDI-UHFFFAOYSA-N 1 2 342.418 3.796 20 0 EHADLO CCO[C@H]1C[C@H](NC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1(CC)CC ZINC001202397853 1136142477 /nfs/dbraw/zinc/14/24/77/1136142477.db2.gz XXAKDIJXQMIYNH-HOTGVXAUSA-N 1 2 348.491 3.561 20 0 EHADLO Cn1cc(Br)c(C[NH2+]Cc2ccc(F)c3ccccc23)n1 ZINC001202474837 1136178984 /nfs/dbraw/zinc/17/89/84/1136178984.db2.gz LHZYYJYSKXHWOP-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO CC[C@](C)(NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000107841924 1136179333 /nfs/dbraw/zinc/17/93/33/1136179333.db2.gz JUDWPVIRPQHXOG-FQEVSTJZSA-N 1 2 341.455 3.832 20 0 EHADLO CC[N@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)[C@@H]1CCOC1 ZINC000812780505 1136246770 /nfs/dbraw/zinc/24/67/70/1136246770.db2.gz GRMTUZPATFPZNE-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO CC[N@@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)[C@@H]1CCOC1 ZINC000812780505 1136246774 /nfs/dbraw/zinc/24/67/74/1136246774.db2.gz GRMTUZPATFPZNE-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO COC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(Cl)c1F ZINC000850527749 1136278574 /nfs/dbraw/zinc/27/85/74/1136278574.db2.gz YMOAHCAVPDNABV-IKGGRYGDSA-N 1 2 335.806 3.935 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001170695726 1136281814 /nfs/dbraw/zinc/28/18/14/1136281814.db2.gz SLRWODWPDUSMFS-SHTZXODSSA-N 1 2 331.460 3.588 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncccn2)ccc1SC(F)F ZINC000850550608 1136283980 /nfs/dbraw/zinc/28/39/80/1136283980.db2.gz AMGIRVOYDLXLLQ-JTQLQIEISA-N 1 2 325.384 3.651 20 0 EHADLO CC[C@H](C)CONC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000813689367 1136356744 /nfs/dbraw/zinc/35/67/44/1136356744.db2.gz JVNRCFBDIATOLY-KSSFIOAISA-N 1 2 344.459 3.518 20 0 EHADLO COc1ccccc1-c1ncc(CNc2ccc([NH+](C)C)cc2)cn1 ZINC000813773259 1136360827 /nfs/dbraw/zinc/36/08/27/1136360827.db2.gz MFFPHSJBDXDUPC-UHFFFAOYSA-N 1 2 334.423 3.830 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399927 1136377147 /nfs/dbraw/zinc/37/71/47/1136377147.db2.gz KOFLKMCNNDUTDJ-KRWDZBQOSA-N 1 2 348.487 3.683 20 0 EHADLO C[NH+](C)[C@H](C(=O)OC[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1 ZINC000814058557 1136391337 /nfs/dbraw/zinc/39/13/37/1136391337.db2.gz VPBXKYWNLGQTTH-AQNXPRMDSA-N 1 2 339.435 3.753 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180643 1136412358 /nfs/dbraw/zinc/41/23/58/1136412358.db2.gz QDSWRBUPTIUXLV-UQTJOTSZSA-N 1 2 339.382 3.717 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180643 1136412360 /nfs/dbraw/zinc/41/23/60/1136412360.db2.gz QDSWRBUPTIUXLV-UQTJOTSZSA-N 1 2 339.382 3.717 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000814224227 1136425020 /nfs/dbraw/zinc/42/50/20/1136425020.db2.gz DGRFBQBKUBEFFT-INIZCTEOSA-N 1 2 328.485 3.758 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000814224227 1136425022 /nfs/dbraw/zinc/42/50/22/1136425022.db2.gz DGRFBQBKUBEFFT-INIZCTEOSA-N 1 2 328.485 3.758 20 0 EHADLO Clc1ccc2nc(Cl)c(C[N@@H+]3CCn4cncc4C3)cc2c1 ZINC000852064583 1136431041 /nfs/dbraw/zinc/43/10/41/1136431041.db2.gz YPYOSBNSEUEBJM-UHFFFAOYSA-N 1 2 333.222 3.754 20 0 EHADLO Clc1ccc2nc(Cl)c(C[N@H+]3CCn4cncc4C3)cc2c1 ZINC000852064583 1136431042 /nfs/dbraw/zinc/43/10/42/1136431042.db2.gz YPYOSBNSEUEBJM-UHFFFAOYSA-N 1 2 333.222 3.754 20 0 EHADLO CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478365 1136459167 /nfs/dbraw/zinc/45/91/67/1136459167.db2.gz TZNAJDVPDNSMGW-KBPBESRZSA-N 1 2 345.409 3.964 20 0 EHADLO CCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478365 1136459171 /nfs/dbraw/zinc/45/91/71/1136459171.db2.gz TZNAJDVPDNSMGW-KBPBESRZSA-N 1 2 345.409 3.964 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1C[C@H](O)c1ccccc1F ZINC000852547359 1136465098 /nfs/dbraw/zinc/46/50/98/1136465098.db2.gz NCAFJEBPUGTQJY-RBUKOAKNSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1C[C@H](O)c1ccccc1F ZINC000852547359 1136465099 /nfs/dbraw/zinc/46/50/99/1136465099.db2.gz NCAFJEBPUGTQJY-RBUKOAKNSA-N 1 2 347.405 3.850 20 0 EHADLO C=Cc1ccccc1Nc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001170761630 1136499285 /nfs/dbraw/zinc/49/92/85/1136499285.db2.gz WOBPIEMNSBHEPD-UHFFFAOYSA-N 1 2 326.400 3.613 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561399 1136544244 /nfs/dbraw/zinc/54/42/44/1136544244.db2.gz BFFXVRIPBVBHCD-UHFFFAOYSA-N 1 2 329.469 3.553 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561399 1136544247 /nfs/dbraw/zinc/54/42/47/1136544247.db2.gz BFFXVRIPBVBHCD-UHFFFAOYSA-N 1 2 329.469 3.553 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)C[C@H]3CC3(C)C)c(=S)n2C)cc1 ZINC000853626603 1136550132 /nfs/dbraw/zinc/55/01/32/1136550132.db2.gz BKTQXQHVVREMQL-CQSZACIVSA-N 1 2 346.500 3.562 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CC3(C)C)c(=S)n2C)cc1 ZINC000853626603 1136550135 /nfs/dbraw/zinc/55/01/35/1136550135.db2.gz BKTQXQHVVREMQL-CQSZACIVSA-N 1 2 346.500 3.562 20 0 EHADLO C[N@H+](C[C@H]1CC1(C)C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000853627262 1136550589 /nfs/dbraw/zinc/55/05/89/1136550589.db2.gz SEPWCQIOLIEZGL-CQSZACIVSA-N 1 2 343.500 3.746 20 0 EHADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000853627262 1136550592 /nfs/dbraw/zinc/55/05/92/1136550592.db2.gz SEPWCQIOLIEZGL-CQSZACIVSA-N 1 2 343.500 3.746 20 0 EHADLO FC(F)(F)c1cc(Cl)c(N2CCn3c[nH+]cc3C2)nc1Cl ZINC000853638070 1136551783 /nfs/dbraw/zinc/55/17/83/1136551783.db2.gz YTQDOHZPCOHNHH-UHFFFAOYSA-N 1 2 337.132 3.624 20 0 EHADLO CC1(C)C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](C(F)(F)F)O1 ZINC000815120122 1136552722 /nfs/dbraw/zinc/55/27/22/1136552722.db2.gz BMPWJQXGOXPGLR-DOMZBBRYSA-N 1 2 343.345 3.508 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](C(F)(F)F)O1 ZINC000815120122 1136552727 /nfs/dbraw/zinc/55/27/27/1136552727.db2.gz BMPWJQXGOXPGLR-DOMZBBRYSA-N 1 2 343.345 3.508 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000815187937 1136563801 /nfs/dbraw/zinc/56/38/01/1136563801.db2.gz XLCYARINGHMVED-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000815188757 1136563810 /nfs/dbraw/zinc/56/38/10/1136563810.db2.gz VATXFTTWWKLPGT-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000815354529 1136585414 /nfs/dbraw/zinc/58/54/14/1136585414.db2.gz STOKQSILPGZXLP-UHFFFAOYSA-N 1 2 327.428 3.585 20 0 EHADLO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nn(C)cc1Br ZINC001170784675 1136593132 /nfs/dbraw/zinc/59/31/32/1136593132.db2.gz VVAACCWPPJGEPO-RYUDHWBXSA-N 1 2 328.298 3.829 20 0 EHADLO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1nn(C)cc1Br ZINC001170784675 1136593137 /nfs/dbraw/zinc/59/31/37/1136593137.db2.gz VVAACCWPPJGEPO-RYUDHWBXSA-N 1 2 328.298 3.829 20 0 EHADLO CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc2c(c1)CCCO2 ZINC000815658026 1136622837 /nfs/dbraw/zinc/62/28/37/1136622837.db2.gz QKLSCTXNLJEFGW-IBGZPJMESA-N 1 2 348.450 3.833 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@@H]1CCCC1(F)F ZINC000816397828 1136709749 /nfs/dbraw/zinc/70/97/49/1136709749.db2.gz RMXIBAVOUOHIGS-JTQLQIEISA-N 1 2 344.308 3.602 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602702 1136724789 /nfs/dbraw/zinc/72/47/89/1136724789.db2.gz BTCLNCDLYPFLRP-UHFFFAOYSA-N 1 2 340.492 3.585 20 0 EHADLO C[C@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000816527305 1136734185 /nfs/dbraw/zinc/73/41/85/1136734185.db2.gz DUZMACDCHXIICC-HZPDHXFCSA-N 1 2 326.440 3.660 20 0 EHADLO Cc1nocc1C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000816571326 1136738250 /nfs/dbraw/zinc/73/82/50/1136738250.db2.gz ZRKXQJBLPUTMPB-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO Cc1nocc1C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000816571326 1136738253 /nfs/dbraw/zinc/73/82/53/1136738253.db2.gz ZRKXQJBLPUTMPB-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1[C@H]1CCCOCC1 ZINC001170836876 1136745342 /nfs/dbraw/zinc/74/53/42/1136745342.db2.gz YOHBCPXBURCWHQ-KRWDZBQOSA-N 1 2 343.446 3.809 20 0 EHADLO CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1[C@H]1CCCOCC1 ZINC001170836876 1136745344 /nfs/dbraw/zinc/74/53/44/1136745344.db2.gz YOHBCPXBURCWHQ-KRWDZBQOSA-N 1 2 343.446 3.809 20 0 EHADLO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cccc2[nH+]ccn21 ZINC000776852452 1136746978 /nfs/dbraw/zinc/74/69/78/1136746978.db2.gz IRBLAUUMWXJDKA-UHFFFAOYSA-N 1 2 346.268 3.747 20 0 EHADLO O=C(Nc1ccnc(Sc2ccccn2)c1)c1cccc2[nH+]ccn21 ZINC000776871495 1136752603 /nfs/dbraw/zinc/75/26/03/1136752603.db2.gz SERJCJJIRONWHL-UHFFFAOYSA-N 1 2 347.403 3.528 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000816949569 1136766034 /nfs/dbraw/zinc/76/60/34/1136766034.db2.gz ZPXAVPXPKJDFAK-AWEZNQCLSA-N 1 2 340.814 3.927 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)cc1 ZINC001135844444 1136786370 /nfs/dbraw/zinc/78/63/70/1136786370.db2.gz ZWMMJQNYKWFWIH-MJGOQNOKSA-N 1 2 344.499 3.556 20 0 EHADLO CCSc1ccc([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776890382 1136788985 /nfs/dbraw/zinc/78/89/85/1136788985.db2.gz LMRRKNMXIFKNKQ-CYBMUJFWSA-N 1 2 325.437 3.937 20 0 EHADLO CC(C)C[C@H](C(=O)N(C)CCOc1ccccc1Cl)n1cc[nH+]c1 ZINC001135887256 1136799157 /nfs/dbraw/zinc/79/91/57/1136799157.db2.gz JCPKFMCIVFJEGA-MRXNPFEDSA-N 1 2 349.862 3.661 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccsc1)C1CCCCC1 ZINC000856723127 1136802881 /nfs/dbraw/zinc/80/28/81/1136802881.db2.gz XIZULJYRBNZRNN-INIZCTEOSA-N 1 2 327.515 3.633 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccsc1)C1CCCCC1 ZINC000856723127 1136802885 /nfs/dbraw/zinc/80/28/85/1136802885.db2.gz XIZULJYRBNZRNN-INIZCTEOSA-N 1 2 327.515 3.633 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(C)nc1Cl)c1cccc(C(F)(F)F)c1 ZINC000856770057 1136809263 /nfs/dbraw/zinc/80/92/63/1136809263.db2.gz JCRHZROQFIUHPX-ZDUSSCGKSA-N 1 2 347.768 3.570 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000817587755 1136826401 /nfs/dbraw/zinc/82/64/01/1136826401.db2.gz ZRLUJNFZBFYEOX-FUHWJXTLSA-N 1 2 337.467 3.666 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(COC)cs1)c1ccccc1 ZINC000857044004 1136836476 /nfs/dbraw/zinc/83/64/76/1136836476.db2.gz JVHDRKKCJXTGSP-QGZVFWFLSA-N 1 2 333.453 3.631 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(COC)cs1)c1ccccc1 ZINC000857044004 1136836477 /nfs/dbraw/zinc/83/64/77/1136836477.db2.gz JVHDRKKCJXTGSP-QGZVFWFLSA-N 1 2 333.453 3.631 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H](C)C3CCC3)CC2)cs1 ZINC000817754604 1136837125 /nfs/dbraw/zinc/83/71/25/1136837125.db2.gz WUKZWLKHYZJBNB-CYBMUJFWSA-N 1 2 336.501 3.643 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H](C)C3CCC3)CC2)cs1 ZINC000817754605 1136837206 /nfs/dbraw/zinc/83/72/06/1136837206.db2.gz WUKZWLKHYZJBNB-ZDUSSCGKSA-N 1 2 336.501 3.643 20 0 EHADLO Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1c[nH+]cn1C(C)C ZINC000818213606 1136866573 /nfs/dbraw/zinc/86/65/73/1136866573.db2.gz JAGNELVNIKGOTQ-HXUWFJFHSA-N 1 2 336.439 3.861 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(C)c(Br)s2)n1 ZINC000818219974 1136867390 /nfs/dbraw/zinc/86/73/90/1136867390.db2.gz CWBBRJJPCZWAJN-SNVBAGLBSA-N 1 2 343.294 3.590 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4CCO[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000818337299 1136871456 /nfs/dbraw/zinc/87/14/56/1136871456.db2.gz IWNKWVQHCRYVSS-KFYUBCHVSA-N 1 2 330.472 3.527 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170910131 1136882990 /nfs/dbraw/zinc/88/29/90/1136882990.db2.gz ZIDHODSAXVVLIT-CJNGLKHVSA-N 1 2 341.854 3.857 20 0 EHADLO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1c[nH]c[nH+]1 ZINC001136151953 1136884777 /nfs/dbraw/zinc/88/47/77/1136884777.db2.gz YCVFFHXCHRJVIU-UHFFFAOYSA-N 1 2 343.814 3.914 20 0 EHADLO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1c[nH+]c[nH]1 ZINC001136151953 1136884783 /nfs/dbraw/zinc/88/47/83/1136884783.db2.gz YCVFFHXCHRJVIU-UHFFFAOYSA-N 1 2 343.814 3.914 20 0 EHADLO Cc1ccccc1CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001136180541 1136905199 /nfs/dbraw/zinc/90/51/99/1136905199.db2.gz CFDVWYKKODAWJU-UHFFFAOYSA-N 1 2 345.446 3.914 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(Cl)ccc1OC1CCCC1 ZINC000857981931 1136926778 /nfs/dbraw/zinc/92/67/78/1136926778.db2.gz CSANUNAVHABSJQ-OAHLLOKOSA-N 1 2 345.830 3.733 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@H]3CCn4c[nH+]cc43)c(Cl)c21 ZINC000857988599 1136927430 /nfs/dbraw/zinc/92/74/30/1136927430.db2.gz HJRLYBJFUZNKOI-JTQLQIEISA-N 1 2 331.828 3.934 20 0 EHADLO CON(C)C(=O)CC[NH2+]c1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000819422472 1136943263 /nfs/dbraw/zinc/94/32/63/1136943263.db2.gz XCIRUZOWUWKCAV-OAHLLOKOSA-N 1 2 327.428 3.682 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3ccccc23)c(F)cc1OC ZINC000858185625 1136947543 /nfs/dbraw/zinc/94/75/43/1136947543.db2.gz GJPMRBSASGWUEH-UHFFFAOYSA-N 1 2 330.359 3.664 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc(Cl)no1 ZINC001136257498 1136958273 /nfs/dbraw/zinc/95/82/73/1136958273.db2.gz LEVCGRURZFPRIH-UHFFFAOYSA-N 1 2 342.786 3.780 20 0 EHADLO CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc3[nH+]ccn31)CCC2 ZINC000777031917 1136975748 /nfs/dbraw/zinc/97/57/48/1136975748.db2.gz QRCTXDGSTCBBSG-ZDUSSCGKSA-N 1 2 340.452 3.503 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728451 1136989104 /nfs/dbraw/zinc/98/91/04/1136989104.db2.gz YDVFLEQKINCVMF-LBPRGKRZSA-N 1 2 325.359 3.567 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001136335539 1136990616 /nfs/dbraw/zinc/99/06/16/1136990616.db2.gz CMUIWKSVLIBIIF-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001136335539 1136990618 /nfs/dbraw/zinc/99/06/18/1136990618.db2.gz CMUIWKSVLIBIIF-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO CCC1CCC(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001136345534 1136996686 /nfs/dbraw/zinc/99/66/86/1136996686.db2.gz BGMKKTKVCXDVTO-UHFFFAOYSA-N 1 2 325.456 3.747 20 0 EHADLO Cc1nc(C(C)C)oc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000820591877 1136997053 /nfs/dbraw/zinc/99/70/53/1136997053.db2.gz QMNRLWLDLBLWAW-UHFFFAOYSA-N 1 2 328.420 3.613 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000859240825 1137009169 /nfs/dbraw/zinc/00/91/69/1137009169.db2.gz LSJMHSHUAKWPQO-MRXNPFEDSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000859240825 1137009171 /nfs/dbraw/zinc/00/91/71/1137009171.db2.gz LSJMHSHUAKWPQO-MRXNPFEDSA-N 1 2 343.450 3.766 20 0 EHADLO CSCCCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000859402079 1137013731 /nfs/dbraw/zinc/01/37/31/1137013731.db2.gz NAOZVYOXPWMJEY-KRWDZBQOSA-N 1 2 349.544 3.600 20 0 EHADLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2nc3ccccc3s2)[C@H]1O ZINC000821305532 1137022007 /nfs/dbraw/zinc/02/20/07/1137022007.db2.gz HASFDIFEEJWVQL-GOEBONIOSA-N 1 2 346.477 3.721 20 0 EHADLO CC(C)c1oncc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136460641 1137031064 /nfs/dbraw/zinc/03/10/64/1137031064.db2.gz JKGGDJSBIJOEIS-UHFFFAOYSA-N 1 2 330.775 3.889 20 0 EHADLO COc1cccc(C[C@@H](C)CC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000822012905 1137047026 /nfs/dbraw/zinc/04/70/26/1137047026.db2.gz RSHJLVWXKGPDMU-CQSZACIVSA-N 1 2 326.440 3.592 20 0 EHADLO C[C@]1(CCOC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000822040368 1137047359 /nfs/dbraw/zinc/04/73/59/1137047359.db2.gz KCRCIUGGQWBIHM-IRXDYDNUSA-N 1 2 336.794 3.793 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(OC(C)(C)C)c2)C1 ZINC000822479101 1137061588 /nfs/dbraw/zinc/06/15/88/1137061588.db2.gz NIILPEGZKAUQDJ-MRXNPFEDSA-N 1 2 341.455 3.617 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529720 1137062451 /nfs/dbraw/zinc/06/24/51/1137062451.db2.gz HUZUYCPOLSXORP-CYBMUJFWSA-N 1 2 344.286 3.508 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529720 1137062453 /nfs/dbraw/zinc/06/24/53/1137062453.db2.gz HUZUYCPOLSXORP-CYBMUJFWSA-N 1 2 344.286 3.508 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692047 1137070720 /nfs/dbraw/zinc/07/07/20/1137070720.db2.gz TXPGGPRAQQMCMX-HIFRSBDPSA-N 1 2 330.255 3.652 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692047 1137070722 /nfs/dbraw/zinc/07/07/22/1137070722.db2.gz TXPGGPRAQQMCMX-HIFRSBDPSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001136624869 1137072779 /nfs/dbraw/zinc/07/27/79/1137072779.db2.gz NQVUVBZZQUMYHE-UHFFFAOYSA-N 1 2 335.407 3.977 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)c(F)cc2F)ccc1-n1cc[nH+]c1 ZINC001136625129 1137073192 /nfs/dbraw/zinc/07/31/92/1137073192.db2.gz YXDPATXINCVEIC-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO CC(C)c1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823402419 1137098504 /nfs/dbraw/zinc/09/85/04/1137098504.db2.gz WLKDRSNJOVSRLL-AWEZNQCLSA-N 1 2 331.416 3.592 20 0 EHADLO COc1ccccc1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001136729231 1137102532 /nfs/dbraw/zinc/10/25/32/1137102532.db2.gz VOVWSAGVPZIULS-FOIQADDNSA-N 1 2 349.434 3.503 20 0 EHADLO COc1ccccc1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001136729231 1137102533 /nfs/dbraw/zinc/10/25/33/1137102533.db2.gz VOVWSAGVPZIULS-FOIQADDNSA-N 1 2 349.434 3.503 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729047 1137102542 /nfs/dbraw/zinc/10/25/42/1137102542.db2.gz QCNHRDBBKBAKDD-CNLJBLCWSA-N 1 2 326.484 3.670 20 0 EHADLO c1ccc2c(c1)cncc2CNc1ccccc1C[NH+]1CCOCC1 ZINC000823539307 1137103653 /nfs/dbraw/zinc/10/36/53/1137103653.db2.gz XMYOXCZQURUBEU-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO CC(C)(C)c1ccc([C@H](NC(=O)Cc2[nH]cc[nH+]2)C(F)(F)F)cc1 ZINC000823699584 1137109928 /nfs/dbraw/zinc/10/99/28/1137109928.db2.gz JQWMLSAZWREPLR-HNNXBMFYSA-N 1 2 339.361 3.670 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2occc2c1 ZINC000861547030 1137110914 /nfs/dbraw/zinc/11/09/14/1137110914.db2.gz BMDIRCOGKSWKFA-MRXNPFEDSA-N 1 2 326.400 3.866 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000118393818 1137113518 /nfs/dbraw/zinc/11/35/18/1137113518.db2.gz CWUXLLYYGKCLDY-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000118393818 1137113519 /nfs/dbraw/zinc/11/35/19/1137113519.db2.gz CWUXLLYYGKCLDY-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@H+](CCS(=O)(=O)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000118395034 1137113631 /nfs/dbraw/zinc/11/36/31/1137113631.db2.gz GDVOEQIVWWSNHN-GFCCVEGCSA-N 1 2 337.407 3.523 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000118395034 1137113632 /nfs/dbraw/zinc/11/36/32/1137113632.db2.gz GDVOEQIVWWSNHN-GFCCVEGCSA-N 1 2 337.407 3.523 20 0 EHADLO C[N@H+](Cc1cc(Br)c(F)cc1F)C1CC(F)(F)C1 ZINC001136849223 1137131072 /nfs/dbraw/zinc/13/10/72/1137131072.db2.gz CELBPIFCYQJLPV-UHFFFAOYSA-N 1 2 326.131 3.957 20 0 EHADLO C[N@@H+](Cc1cc(Br)c(F)cc1F)C1CC(F)(F)C1 ZINC001136849223 1137131073 /nfs/dbraw/zinc/13/10/73/1137131073.db2.gz CELBPIFCYQJLPV-UHFFFAOYSA-N 1 2 326.131 3.957 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Br ZINC001136850791 1137131394 /nfs/dbraw/zinc/13/13/94/1137131394.db2.gz GGGDEOGFYPQJKO-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Br ZINC001136850791 1137131396 /nfs/dbraw/zinc/13/13/96/1137131396.db2.gz GGGDEOGFYPQJKO-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO CCn1nc(C)c(C[N@H+](CC)Cc2cccc(-c3ccncc3)c2)n1 ZINC000824389335 1137136246 /nfs/dbraw/zinc/13/62/46/1137136246.db2.gz KLPJEUDZJMJZLE-UHFFFAOYSA-N 1 2 335.455 3.691 20 0 EHADLO CCn1nc(C)c(C[N@@H+](CC)Cc2cccc(-c3ccncc3)c2)n1 ZINC000824389335 1137136248 /nfs/dbraw/zinc/13/62/48/1137136248.db2.gz KLPJEUDZJMJZLE-UHFFFAOYSA-N 1 2 335.455 3.691 20 0 EHADLO Fc1c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccnc1Cl ZINC000824417183 1137138549 /nfs/dbraw/zinc/13/85/49/1137138549.db2.gz QXOQRVUSPHGEDV-GOSISDBHSA-N 1 2 332.806 3.844 20 0 EHADLO Fc1c(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccnc1Cl ZINC000824417183 1137138550 /nfs/dbraw/zinc/13/85/50/1137138550.db2.gz QXOQRVUSPHGEDV-GOSISDBHSA-N 1 2 332.806 3.844 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H]3CC=CC[C@@H]3C)CC2)cs1 ZINC000805868376 1137142068 /nfs/dbraw/zinc/14/20/68/1137142068.db2.gz CECLFKKSNRLOGU-WMLDXEAASA-N 1 2 348.512 3.809 20 0 EHADLO Cc1cccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 ZINC000824673370 1137147676 /nfs/dbraw/zinc/14/76/76/1137147676.db2.gz RIBFMOURSABRCE-CQSZACIVSA-N 1 2 328.403 3.633 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C[C@H](C)O1 ZINC000014203023 1137153377 /nfs/dbraw/zinc/15/33/77/1137153377.db2.gz RPRIZKCCHQATRQ-OKILXGFUSA-N 1 2 327.453 3.672 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C[C@H](C)O1 ZINC000014203023 1137153379 /nfs/dbraw/zinc/15/33/79/1137153379.db2.gz RPRIZKCCHQATRQ-OKILXGFUSA-N 1 2 327.453 3.672 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171067607 1137154462 /nfs/dbraw/zinc/15/44/62/1137154462.db2.gz XLZGYNZQCPHGPN-IUODEOHRSA-N 1 2 330.255 3.782 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC2(CC2(F)F)C1 ZINC000824832021 1137155450 /nfs/dbraw/zinc/15/54/50/1137155450.db2.gz XCUDELGKONEWPP-UHFFFAOYSA-N 1 2 337.757 3.900 20 0 EHADLO Cc1cccn2c(CN(Cc3cccnc3)Cc3cccnc3)c[nH+]c12 ZINC001136964216 1137157786 /nfs/dbraw/zinc/15/77/86/1137157786.db2.gz BTSOWIMGZHYGAE-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO Cc1cccn2c(CN3CCO[C@@](C)(c4ccc(F)cc4)C3)c[nH+]c12 ZINC001136965565 1137158421 /nfs/dbraw/zinc/15/84/21/1137158421.db2.gz VCHITIRWVZHNAK-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cnc12 ZINC001136965565 1137158422 /nfs/dbraw/zinc/15/84/22/1137158422.db2.gz VCHITIRWVZHNAK-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccn2c(C[N@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cnc12 ZINC001136965565 1137158424 /nfs/dbraw/zinc/15/84/24/1137158424.db2.gz VCHITIRWVZHNAK-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2=S)n1 ZINC000014307737 1137160482 /nfs/dbraw/zinc/16/04/82/1137160482.db2.gz ZIGPGDDOFHLYIW-MRXNPFEDSA-N 1 2 339.468 3.672 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c2=S)n1 ZINC000014307737 1137160485 /nfs/dbraw/zinc/16/04/85/1137160485.db2.gz ZIGPGDDOFHLYIW-MRXNPFEDSA-N 1 2 339.468 3.672 20 0 EHADLO Clc1cncc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)c1 ZINC001136996605 1137168202 /nfs/dbraw/zinc/16/82/02/1137168202.db2.gz ROYRAHIMTAIBOK-UHFFFAOYSA-N 1 2 328.843 3.916 20 0 EHADLO COc1ncc(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)cc1C ZINC001137006511 1137169490 /nfs/dbraw/zinc/16/94/90/1137169490.db2.gz UOTGACMVZUPSTG-KRWDZBQOSA-N 1 2 332.444 3.828 20 0 EHADLO COc1ncc(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)cc1C ZINC001137006511 1137169491 /nfs/dbraw/zinc/16/94/91/1137169491.db2.gz UOTGACMVZUPSTG-KRWDZBQOSA-N 1 2 332.444 3.828 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)cc1F ZINC000825251592 1137170877 /nfs/dbraw/zinc/17/08/77/1137170877.db2.gz NPVQCHXEJYDNOO-QGZVFWFLSA-N 1 2 339.370 3.688 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2C[C@H](c3ccccc3)OC2=O)n1 ZINC000863265774 1137178846 /nfs/dbraw/zinc/17/88/46/1137178846.db2.gz VEWJRPOFCIPMFL-RBUKOAKNSA-N 1 2 337.423 3.678 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2C[C@H](c3ccccc3)OC2=O)n1 ZINC000863265774 1137178847 /nfs/dbraw/zinc/17/88/47/1137178847.db2.gz VEWJRPOFCIPMFL-RBUKOAKNSA-N 1 2 337.423 3.678 20 0 EHADLO COC(=O)c1ccc(CNc2ccc3c(c2)CCC[N@H+]3C)cc1F ZINC000825436128 1137179092 /nfs/dbraw/zinc/17/90/92/1137179092.db2.gz OMRXEUQCGVPKSH-UHFFFAOYSA-N 1 2 328.387 3.607 20 0 EHADLO COC(=O)c1ccc(CNc2ccc3c(c2)CCC[N@@H+]3C)cc1F ZINC000825436128 1137179093 /nfs/dbraw/zinc/17/90/93/1137179093.db2.gz OMRXEUQCGVPKSH-UHFFFAOYSA-N 1 2 328.387 3.607 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143628775 1137184091 /nfs/dbraw/zinc/18/40/91/1137184091.db2.gz MARSAZSKSGXHCE-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143628775 1137184093 /nfs/dbraw/zinc/18/40/93/1137184093.db2.gz MARSAZSKSGXHCE-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)nc1 ZINC001143628330 1137184186 /nfs/dbraw/zinc/18/41/86/1137184186.db2.gz GREBSRAFMWICET-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)nc1 ZINC001143628330 1137184188 /nfs/dbraw/zinc/18/41/88/1137184188.db2.gz GREBSRAFMWICET-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693934 1137189931 /nfs/dbraw/zinc/18/99/31/1137189931.db2.gz WQDQKAZTKGDUBQ-CQSZACIVSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693934 1137189932 /nfs/dbraw/zinc/18/99/32/1137189932.db2.gz WQDQKAZTKGDUBQ-CQSZACIVSA-N 1 2 342.443 3.807 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000339057206 1137190115 /nfs/dbraw/zinc/19/01/15/1137190115.db2.gz BGDXTEBEIVIREO-CYBMUJFWSA-N 1 2 329.410 3.582 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000339057206 1137190116 /nfs/dbraw/zinc/19/01/16/1137190116.db2.gz BGDXTEBEIVIREO-CYBMUJFWSA-N 1 2 329.410 3.582 20 0 EHADLO O=C(C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1)OCc1ccccc1 ZINC001171096737 1137190434 /nfs/dbraw/zinc/19/04/34/1137190434.db2.gz WEBJWXHZTIJBDK-GOSISDBHSA-N 1 2 329.827 3.530 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1Br ZINC001143813264 1137202910 /nfs/dbraw/zinc/20/29/10/1137202910.db2.gz MHCWZTJNONEYTO-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCCCO3)c1Br ZINC001143813264 1137202911 /nfs/dbraw/zinc/20/29/11/1137202911.db2.gz MHCWZTJNONEYTO-HNNXBMFYSA-N 1 2 346.215 3.872 20 0 EHADLO CC(C)CCn1c2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000844161431 1137203212 /nfs/dbraw/zinc/20/32/12/1137203212.db2.gz NZDCNXJUHJOXTG-UHFFFAOYSA-N 1 2 333.501 3.507 20 0 EHADLO Cc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(C)s1 ZINC000844263996 1137206984 /nfs/dbraw/zinc/20/69/84/1137206984.db2.gz AGFIMURRMBUVQG-UHFFFAOYSA-N 1 2 333.453 3.875 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1F ZINC001143892005 1137208941 /nfs/dbraw/zinc/20/89/41/1137208941.db2.gz KJRRCIKITVLOCE-UHFFFAOYSA-N 1 2 349.780 3.878 20 0 EHADLO Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001143939182 1137216352 /nfs/dbraw/zinc/21/63/52/1137216352.db2.gz AIPYXXJQBAIORO-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449753 1137221133 /nfs/dbraw/zinc/22/11/33/1137221133.db2.gz DRYRIGSDMCGRLD-FGTMMUONSA-N 1 2 342.389 3.872 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449753 1137221134 /nfs/dbraw/zinc/22/11/34/1137221134.db2.gz DRYRIGSDMCGRLD-FGTMMUONSA-N 1 2 342.389 3.872 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CC2CCC2)nc1-c1ccncc1 ZINC000794686585 1137226879 /nfs/dbraw/zinc/22/68/79/1137226879.db2.gz BSSKKUJUSKDOJE-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CC2CCC2)nc1-c1ccncc1 ZINC000794686585 1137226881 /nfs/dbraw/zinc/22/68/81/1137226881.db2.gz BSSKKUJUSKDOJE-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccccc1SC(F)F ZINC000844468559 1137226868 /nfs/dbraw/zinc/22/68/68/1137226868.db2.gz WDOASNVRMUTCRO-AWEZNQCLSA-N 1 2 348.365 3.671 20 0 EHADLO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccccc1SC(F)F ZINC000844468559 1137226869 /nfs/dbraw/zinc/22/68/69/1137226869.db2.gz WDOASNVRMUTCRO-AWEZNQCLSA-N 1 2 348.365 3.671 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCC(Oc3ccncc3)CC2)cc1F ZINC001144021836 1137229503 /nfs/dbraw/zinc/22/95/03/1137229503.db2.gz LDDHWQGLHIOUIQ-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO C[C@H](CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000864499101 1137230130 /nfs/dbraw/zinc/23/01/30/1137230130.db2.gz KWIOGZMDTOFMIF-OAHLLOKOSA-N 1 2 334.485 3.528 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(OC(F)(F)F)c1 ZINC001144045938 1137231474 /nfs/dbraw/zinc/23/14/74/1137231474.db2.gz MGHFSZXNURSNIJ-BLLLJJGKSA-N 1 2 345.361 3.595 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(OC(F)(F)F)c1 ZINC001144045938 1137231475 /nfs/dbraw/zinc/23/14/75/1137231475.db2.gz MGHFSZXNURSNIJ-BLLLJJGKSA-N 1 2 345.361 3.595 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2F)[C@@H]1C ZINC001144130782 1137244300 /nfs/dbraw/zinc/24/43/00/1137244300.db2.gz OGIGVKVGUBFYSG-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)[C@@H]1C ZINC001144130782 1137244302 /nfs/dbraw/zinc/24/43/02/1137244302.db2.gz OGIGVKVGUBFYSG-PWSUYJOCSA-N 1 2 331.790 3.782 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000120275606 1137249606 /nfs/dbraw/zinc/24/96/06/1137249606.db2.gz KLQFIDSKMQDTNY-INIZCTEOSA-N 1 2 328.485 3.587 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000120275606 1137249608 /nfs/dbraw/zinc/24/96/08/1137249608.db2.gz KLQFIDSKMQDTNY-INIZCTEOSA-N 1 2 328.485 3.587 20 0 EHADLO CCO[C@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)C1CCCC1 ZINC000864975994 1137256092 /nfs/dbraw/zinc/25/60/92/1137256092.db2.gz BSHSXAONDOITLW-HNNXBMFYSA-N 1 2 339.505 3.519 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144251620 1137261525 /nfs/dbraw/zinc/26/15/25/1137261525.db2.gz ITOYUZHBYNFWCI-UHFFFAOYSA-N 1 2 332.403 3.780 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144251620 1137261526 /nfs/dbraw/zinc/26/15/26/1137261526.db2.gz ITOYUZHBYNFWCI-UHFFFAOYSA-N 1 2 332.403 3.780 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)no1 ZINC001171156270 1137266934 /nfs/dbraw/zinc/26/69/34/1137266934.db2.gz BHHSZTBQHTZQKV-GFCCVEGCSA-N 1 2 326.227 3.674 20 0 EHADLO Cc1nc(C[N@H+](C)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)no1 ZINC001171156270 1137266935 /nfs/dbraw/zinc/26/69/35/1137266935.db2.gz BHHSZTBQHTZQKV-GFCCVEGCSA-N 1 2 326.227 3.674 20 0 EHADLO N#CN1CC[NH+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001144344801 1137276438 /nfs/dbraw/zinc/27/64/38/1137276438.db2.gz GADWRKWVPGCOJT-UHFFFAOYSA-N 1 2 345.368 3.971 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001144337670 1137277480 /nfs/dbraw/zinc/27/74/80/1137277480.db2.gz KTJTZQQQOKWEES-MRXNPFEDSA-N 1 2 334.366 3.807 20 0 EHADLO CCOC(=O)c1[nH]ccc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001144337670 1137277481 /nfs/dbraw/zinc/27/74/81/1137277481.db2.gz KTJTZQQQOKWEES-MRXNPFEDSA-N 1 2 334.366 3.807 20 0 EHADLO Cc1cc(C)cc(OCc2noc(Cn3c[nH+]c(C(C)(C)C)c3)n2)c1 ZINC000865376347 1137278536 /nfs/dbraw/zinc/27/85/36/1137278536.db2.gz KBUPMRRBULDRNQ-UHFFFAOYSA-N 1 2 340.427 3.808 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000845185785 1137278857 /nfs/dbraw/zinc/27/88/57/1137278857.db2.gz FQTKHDJKWBFPAA-GOEBONIOSA-N 1 2 347.846 3.558 20 0 EHADLO C[C@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1nnc2n1CCCCC2 ZINC000865410249 1137280742 /nfs/dbraw/zinc/28/07/42/1137280742.db2.gz NSNKWCURTDNVPR-ZDUSSCGKSA-N 1 2 339.418 3.543 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144380091 1137281582 /nfs/dbraw/zinc/28/15/82/1137281582.db2.gz DLGJWPBLYJKCSY-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144380091 1137281584 /nfs/dbraw/zinc/28/15/84/1137281584.db2.gz DLGJWPBLYJKCSY-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1ccc(-c2nc(COC(=O)C[C@@H](C)n3cc[nH+]c3)co2)cc1 ZINC000845277075 1137283138 /nfs/dbraw/zinc/28/31/38/1137283138.db2.gz LCBCPYSMCXUVPD-CQSZACIVSA-N 1 2 325.368 3.541 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccnc1Br)c1nc(C)cs1 ZINC000865452640 1137285199 /nfs/dbraw/zinc/28/51/99/1137285199.db2.gz MDQAUCFXTDEGFW-LLVKDONJSA-N 1 2 326.263 3.850 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1Br)CCO2 ZINC000865455397 1137285536 /nfs/dbraw/zinc/28/55/36/1137285536.db2.gz GCRFDOFAPRUNCX-CYBMUJFWSA-N 1 2 337.192 3.597 20 0 EHADLO Cc1cnc([C@H]([NH2+]Cc2cccnc2Br)C2CC2)s1 ZINC000865475980 1137287221 /nfs/dbraw/zinc/28/72/21/1137287221.db2.gz HZHPVPWIPLIGEF-GFCCVEGCSA-N 1 2 338.274 3.850 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(C)o1 ZINC000865479595 1137287470 /nfs/dbraw/zinc/28/74/70/1137287470.db2.gz BAENDIVJBZEVNQ-CQSZACIVSA-N 1 2 329.318 3.806 20 0 EHADLO COc1ccc(C[NH2+]Cc2nccc(C)c2Br)c(F)c1 ZINC000865490872 1137288425 /nfs/dbraw/zinc/28/84/25/1137288425.db2.gz IQSJQTSVEGTSHR-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CCn1nc(C)c(CNc2cc(NCc3ccccc3)[nH+]cn2)c1C ZINC000865501673 1137289367 /nfs/dbraw/zinc/28/93/67/1137289367.db2.gz GFCBXYDYCZYHFN-UHFFFAOYSA-N 1 2 336.443 3.534 20 0 EHADLO CCn1nc(C)c(CNc2cc(NCc3ccccc3)nc[nH+]2)c1C ZINC000865501673 1137289370 /nfs/dbraw/zinc/28/93/70/1137289370.db2.gz GFCBXYDYCZYHFN-UHFFFAOYSA-N 1 2 336.443 3.534 20 0 EHADLO CCCn1cc(C[NH2+]Cc2c(OC(C)C)ccc3ccccc32)nn1 ZINC000865529382 1137291931 /nfs/dbraw/zinc/29/19/31/1137291931.db2.gz GPKMWIJKDUDRMA-UHFFFAOYSA-N 1 2 338.455 3.918 20 0 EHADLO C[C@@H](CC(=O)OCCc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000845467239 1137294003 /nfs/dbraw/zinc/29/40/03/1137294003.db2.gz XHRYBWULNMHGNT-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO COCc1ccc(C[NH2+]Cc2ccccc2C(=O)OC(C)(C)C)o1 ZINC000865728989 1137307289 /nfs/dbraw/zinc/30/72/89/1137307289.db2.gz CHTWSJFPNPEQKD-UHFFFAOYSA-N 1 2 331.412 3.671 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555157 1137309119 /nfs/dbraw/zinc/30/91/19/1137309119.db2.gz XPDIVRFZTMPLAH-AWEZNQCLSA-N 1 2 349.377 3.722 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555157 1137309120 /nfs/dbraw/zinc/30/91/20/1137309120.db2.gz XPDIVRFZTMPLAH-AWEZNQCLSA-N 1 2 349.377 3.722 20 0 EHADLO Fc1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1F ZINC000865804478 1137313191 /nfs/dbraw/zinc/31/31/91/1137313191.db2.gz WXEXMXBQBPLNKO-UHFFFAOYSA-N 1 2 345.315 3.806 20 0 EHADLO C[C@H]1[C@H](C)[N@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950027 1137320175 /nfs/dbraw/zinc/32/01/75/1137320175.db2.gz SNMLBMGEHWWBFQ-KBPBESRZSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@H]1[C@H](C)[N@@H+](Cc2cc3cnccc3o2)CCN1C(=O)OC(C)(C)C ZINC000845950027 1137320177 /nfs/dbraw/zinc/32/01/77/1137320177.db2.gz SNMLBMGEHWWBFQ-KBPBESRZSA-N 1 2 345.443 3.658 20 0 EHADLO FC1(F)[C@H]2C[N@H+](Cc3nc4ccc(Br)cc4s3)C[C@H]21 ZINC000846109244 1137333134 /nfs/dbraw/zinc/33/31/34/1137333134.db2.gz CSRQTIZUDWCGGW-DTORHVGOSA-N 1 2 345.212 3.756 20 0 EHADLO FC1(F)[C@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)C[C@H]21 ZINC000846109244 1137333136 /nfs/dbraw/zinc/33/31/36/1137333136.db2.gz CSRQTIZUDWCGGW-DTORHVGOSA-N 1 2 345.212 3.756 20 0 EHADLO Fc1ccc(C[NH+]2CCN(Cc3ccc4scnc4c3)CC2)cc1 ZINC001144732593 1137339720 /nfs/dbraw/zinc/33/97/20/1137339720.db2.gz GGTQGECFMXUXHM-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO CN(C)c1cc(Cl)[nH+]c(NCCC2CCC3(CC2)OCCO3)c1 ZINC001171218543 1137341049 /nfs/dbraw/zinc/34/10/49/1137341049.db2.gz HFMCDDQXINQNOY-UHFFFAOYSA-N 1 2 339.867 3.536 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001144749961 1137342464 /nfs/dbraw/zinc/34/24/64/1137342464.db2.gz TWZVDOVDCNMOHW-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001144749961 1137342466 /nfs/dbraw/zinc/34/24/66/1137342466.db2.gz TWZVDOVDCNMOHW-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO ClC1(Cl)C[C@@H]1CCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000846212655 1137343741 /nfs/dbraw/zinc/34/37/41/1137343741.db2.gz FYTRMCZAJNXCAU-STQMWFEESA-N 1 2 331.291 3.990 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](Cc2cccc(F)c2)c2ccccc2F)n1 ZINC000866395228 1137351624 /nfs/dbraw/zinc/35/16/24/1137351624.db2.gz ODQYFDZXAGKMQX-IBGZPJMESA-N 1 2 342.393 3.650 20 0 EHADLO CCCC[C@](CC)(Nc1cc(N)c(C(F)(F)F)c[nH+]1)C(=O)OCC ZINC001171227489 1137352763 /nfs/dbraw/zinc/35/27/63/1137352763.db2.gz OQYPAQLRHFRWIZ-HNNXBMFYSA-N 1 2 347.381 3.997 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(F)cn1 ZINC000866559478 1137364570 /nfs/dbraw/zinc/36/45/70/1137364570.db2.gz HXTZNFABAGIPEW-JTQLQIEISA-N 1 2 342.340 3.623 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCSc3ccc(F)cc32)n1 ZINC000866563881 1137364795 /nfs/dbraw/zinc/36/47/95/1137364795.db2.gz SGZJPZQMMXRVJP-LBPRGKRZSA-N 1 2 327.375 3.824 20 0 EHADLO CC(C)c1ccccc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000846775489 1137366847 /nfs/dbraw/zinc/36/68/47/1137366847.db2.gz NXVMSEFQKPOGPR-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO Brc1ccc(C2([NH2+]Cc3cnsn3)CCCC2)cc1 ZINC000846821065 1137369823 /nfs/dbraw/zinc/36/98/23/1137369823.db2.gz PBJLOSUKRYPZPJ-UHFFFAOYSA-N 1 2 338.274 3.860 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cnsn1 ZINC000846854852 1137372243 /nfs/dbraw/zinc/37/22/43/1137372243.db2.gz MYRXMEJTNXAZFQ-VIFPVBQESA-N 1 2 334.445 3.960 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3cccnc3Cl)CC2)c1 ZINC000846918284 1137375157 /nfs/dbraw/zinc/37/51/57/1137375157.db2.gz QRELACRAMFZSOK-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CCOC(C[N@H+](CC)Cc1nc(-c2ccsc2)oc1C)OCC ZINC000846970041 1137377528 /nfs/dbraw/zinc/37/75/28/1137377528.db2.gz IYEZRQMYGJGFGV-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1nc(-c2ccsc2)oc1C)OCC ZINC000846970041 1137377530 /nfs/dbraw/zinc/37/75/30/1137377530.db2.gz IYEZRQMYGJGFGV-UHFFFAOYSA-N 1 2 338.473 3.933 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000121613525 1137378671 /nfs/dbraw/zinc/37/86/71/1137378671.db2.gz KIYZMXOOJGGFJZ-OALUTQOASA-N 1 2 331.843 3.621 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000121613525 1137378672 /nfs/dbraw/zinc/37/86/72/1137378672.db2.gz KIYZMXOOJGGFJZ-OALUTQOASA-N 1 2 331.843 3.621 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(C)n1 ZINC000121624144 1137378899 /nfs/dbraw/zinc/37/88/99/1137378899.db2.gz ZZXJFIPZRRFLHJ-IBGZPJMESA-N 1 2 341.430 3.831 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(C)n1 ZINC000121624144 1137378901 /nfs/dbraw/zinc/37/89/01/1137378901.db2.gz ZZXJFIPZRRFLHJ-IBGZPJMESA-N 1 2 341.430 3.831 20 0 EHADLO C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1(F)F ZINC001171263921 1137386062 /nfs/dbraw/zinc/38/60/62/1137386062.db2.gz PMVKIQZKLNRZFA-QTXGHNMQSA-N 1 2 348.437 3.799 20 0 EHADLO C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1(F)F ZINC001171263921 1137386064 /nfs/dbraw/zinc/38/60/64/1137386064.db2.gz PMVKIQZKLNRZFA-QTXGHNMQSA-N 1 2 348.437 3.799 20 0 EHADLO CCSc1nc(C)c([C@H](CC)C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC001146677807 1137393065 /nfs/dbraw/zinc/39/30/65/1137393065.db2.gz KJSZUSYSQASGBX-ZDUSSCGKSA-N 1 2 335.498 3.821 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](CCC(C)C)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC001146767110 1137394031 /nfs/dbraw/zinc/39/40/31/1137394031.db2.gz WFNPFMMFINFCBJ-SQNIBIBYSA-N 1 2 340.552 3.843 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](CCC(C)C)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC001146767110 1137394032 /nfs/dbraw/zinc/39/40/32/1137394032.db2.gz WFNPFMMFINFCBJ-SQNIBIBYSA-N 1 2 340.552 3.843 20 0 EHADLO Cl/C=C(/Cl)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000122040813 1137401721 /nfs/dbraw/zinc/40/17/21/1137401721.db2.gz GCHFSIWHHPLGBZ-AUWXEVLLSA-N 1 2 329.275 3.503 20 0 EHADLO Cl/C=C(/Cl)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000122040813 1137401723 /nfs/dbraw/zinc/40/17/23/1137401723.db2.gz GCHFSIWHHPLGBZ-AUWXEVLLSA-N 1 2 329.275 3.503 20 0 EHADLO Cc1ccc(N[C@H]2COCc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001171302185 1137404097 /nfs/dbraw/zinc/40/40/97/1137404097.db2.gz RRQZCBDCPRLIKT-NRFANRHFSA-N 1 2 338.451 3.511 20 0 EHADLO CC(C)C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000122162479 1137410900 /nfs/dbraw/zinc/41/09/00/1137410900.db2.gz ITCSOQHVRXKRJJ-GOSISDBHSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000122162479 1137410902 /nfs/dbraw/zinc/41/09/02/1137410902.db2.gz ITCSOQHVRXKRJJ-GOSISDBHSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)[C@@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000868520144 1137412923 /nfs/dbraw/zinc/41/29/23/1137412923.db2.gz NURZZFJYXCXHLG-WMZOPIPTSA-N 1 2 344.503 3.588 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCC(F)(F)[C@@H](F)C1)CC2 ZINC001171314770 1137413702 /nfs/dbraw/zinc/41/37/02/1137413702.db2.gz GCFZTPIZWACOAE-BONVTDFDSA-N 1 2 333.781 3.885 20 0 EHADLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC(F)(F)[C@@H](F)C1)CC2 ZINC001171314770 1137413703 /nfs/dbraw/zinc/41/37/03/1137413703.db2.gz GCFZTPIZWACOAE-BONVTDFDSA-N 1 2 333.781 3.885 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC001148424957 1137425104 /nfs/dbraw/zinc/42/51/04/1137425104.db2.gz IKJJNKCLDIPWPW-UHFFFAOYSA-N 1 2 347.821 3.562 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)C(C)(F)F ZINC000869070387 1137436080 /nfs/dbraw/zinc/43/60/80/1137436080.db2.gz YHXKSCHSFXWOJT-UHFFFAOYSA-N 1 2 344.450 3.549 20 0 EHADLO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001148879005 1137436602 /nfs/dbraw/zinc/43/66/02/1137436602.db2.gz SWTOLVCCFOTOPN-SFHVURJKSA-N 1 2 347.418 3.802 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104146 1137436681 /nfs/dbraw/zinc/43/66/81/1137436681.db2.gz BHVRLHHJBCWPGL-LIRRHRJNSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104146 1137436683 /nfs/dbraw/zinc/43/66/83/1137436683.db2.gz BHVRLHHJBCWPGL-LIRRHRJNSA-N 1 2 341.430 3.715 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nccn2C(F)F)c(-c2cnn(C)c2)c1 ZINC000282744922 1137444898 /nfs/dbraw/zinc/44/48/98/1137444898.db2.gz GGKYJJQMNFMWNC-UHFFFAOYSA-N 1 2 345.397 3.619 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)c(-c2cnn(C)c2)c1 ZINC000282744922 1137444900 /nfs/dbraw/zinc/44/49/00/1137444900.db2.gz GGKYJJQMNFMWNC-UHFFFAOYSA-N 1 2 345.397 3.619 20 0 EHADLO CCOc1ncccc1C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000348109875 1137445732 /nfs/dbraw/zinc/44/57/32/1137445732.db2.gz UHWITTJIRYCFIT-OAHLLOKOSA-N 1 2 338.810 3.750 20 0 EHADLO Cc1c[nH]cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000339095678 1137469893 /nfs/dbraw/zinc/46/98/93/1137469893.db2.gz PRSFDSDGJQJSJW-MRXNPFEDSA-N 1 2 349.837 3.683 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000713624887 1137470428 /nfs/dbraw/zinc/47/04/28/1137470428.db2.gz RCVQFWWRIGINPN-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO c1ccc(COc2cc(NCCOC3CCCCC3)cc[nH+]2)nc1 ZINC001171479497 1137493453 /nfs/dbraw/zinc/49/34/53/1137493453.db2.gz MOGICEJCOMIXOH-UHFFFAOYSA-N 1 2 327.428 3.817 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171656288 1137502188 /nfs/dbraw/zinc/50/21/88/1137502188.db2.gz YZTGWRHNRZVZPV-YLJYHZDGSA-N 1 2 325.452 3.690 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959292 1137519156 /nfs/dbraw/zinc/51/91/56/1137519156.db2.gz VIZQKJAILQCQTB-OLZOCXBDSA-N 1 2 331.378 3.958 20 0 EHADLO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172343863 1137552833 /nfs/dbraw/zinc/55/28/33/1137552833.db2.gz VUOFXKPERDOBRC-WDEREUQCSA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172343863 1137552834 /nfs/dbraw/zinc/55/28/34/1137552834.db2.gz VUOFXKPERDOBRC-WDEREUQCSA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@H](C)OCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172358333 1137554636 /nfs/dbraw/zinc/55/46/36/1137554636.db2.gz GEOCWXDZRKMUFJ-ULQDDVLXSA-N 1 2 332.479 3.776 20 0 EHADLO CCOCC[C@@H](C)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172424272 1137556465 /nfs/dbraw/zinc/55/64/65/1137556465.db2.gz CXWIKOWGNQDVGH-SJORKVTESA-N 1 2 349.519 3.782 20 0 EHADLO CCOCC[C@@H](C)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172424272 1137556466 /nfs/dbraw/zinc/55/64/66/1137556466.db2.gz CXWIKOWGNQDVGH-SJORKVTESA-N 1 2 349.519 3.782 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cccc(O)c1F)c1ccc(F)c(F)c1 ZINC000872052380 1137568122 /nfs/dbraw/zinc/56/81/22/1137568122.db2.gz DBPGNHAQBVSLCC-BMIGLBTASA-N 1 2 325.330 3.848 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@H]3CCOC4(CCCC4)C3)cc2)CCO1 ZINC000872060325 1137568878 /nfs/dbraw/zinc/56/88/78/1137568878.db2.gz PPHKXZSHBJNKIH-WMZOPIPTSA-N 1 2 330.472 3.815 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872117835 1137572426 /nfs/dbraw/zinc/57/24/26/1137572426.db2.gz XBSAIWPTKJGQEX-SECBINFHSA-N 1 2 330.741 3.703 20 0 EHADLO [NH3+][C@@H](c1nc([C@@H]2CCCS2)no1)c1ccc(C(F)(F)F)cc1 ZINC000872174688 1137575228 /nfs/dbraw/zinc/57/52/28/1137575228.db2.gz FJTOQVPSUGVOCR-WDEREUQCSA-N 1 2 329.347 3.705 20 0 EHADLO Fc1cccc2c(C[NH+]3CCN(c4ncccc4Cl)CC3)c[nH]c21 ZINC001137057661 1137575427 /nfs/dbraw/zinc/57/54/27/1137575427.db2.gz LKMLRLJWGOIUBI-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO Clc1cccc(-c2cc(N3CCC[C@H](n4cc[nH+]c4)C3)ncn2)c1 ZINC000872442600 1137580272 /nfs/dbraw/zinc/58/02/72/1137580272.db2.gz KUTKTZGEUVAUAC-INIZCTEOSA-N 1 2 339.830 3.835 20 0 EHADLO O=C1OCC[C@@H]1CCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000872701633 1137582952 /nfs/dbraw/zinc/58/29/52/1137582952.db2.gz FSCSMXLVEODHMW-NSHDSACASA-N 1 2 349.228 3.753 20 0 EHADLO O=C1OCC[C@H]1CCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000872701632 1137582960 /nfs/dbraw/zinc/58/29/60/1137582960.db2.gz FSCSMXLVEODHMW-LLVKDONJSA-N 1 2 349.228 3.753 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872751856 1137583883 /nfs/dbraw/zinc/58/38/83/1137583883.db2.gz HRXZEEAFLGPMBC-YGRLFVJLSA-N 1 2 328.309 3.920 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@H](O)c1ccccc1 ZINC000872774128 1137584270 /nfs/dbraw/zinc/58/42/70/1137584270.db2.gz DIHOPVDCAAYLPR-JKSUJKDBSA-N 1 2 339.443 3.505 20 0 EHADLO CC(C)(O)[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000872783363 1137584391 /nfs/dbraw/zinc/58/43/91/1137584391.db2.gz WIMHCGCDWVGLHW-LLVKDONJSA-N 1 2 335.245 3.595 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)c(=S)n1C1CC1 ZINC000872803211 1137584636 /nfs/dbraw/zinc/58/46/36/1137584636.db2.gz NNQBLMGCTBSDCO-IBGZPJMESA-N 1 2 340.496 3.605 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)c(=S)n1C1CC1 ZINC000872803211 1137584637 /nfs/dbraw/zinc/58/46/37/1137584637.db2.gz NNQBLMGCTBSDCO-IBGZPJMESA-N 1 2 340.496 3.605 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ncc(Cl)s1 ZINC000873164879 1137591991 /nfs/dbraw/zinc/59/19/91/1137591991.db2.gz GELJYHVFXOUHIQ-UHFFFAOYSA-N 1 2 338.889 3.981 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000873170748 1137592204 /nfs/dbraw/zinc/59/22/04/1137592204.db2.gz ZEZVRNXHHZHDEV-UHFFFAOYSA-N 1 2 347.793 3.989 20 0 EHADLO Cn1cc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c(C(C)(C)C)n1 ZINC000873174163 1137592339 /nfs/dbraw/zinc/59/23/39/1137592339.db2.gz BVZIXGNAYBOWTA-UHFFFAOYSA-N 1 2 330.476 3.510 20 0 EHADLO COCCOc1cccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1 ZINC000873175192 1137592378 /nfs/dbraw/zinc/59/23/78/1137592378.db2.gz DNDPWOLQGYBZML-UHFFFAOYSA-N 1 2 344.455 3.505 20 0 EHADLO C[C@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)Cc2ccccc21 ZINC000873819827 1137607007 /nfs/dbraw/zinc/60/70/07/1137607007.db2.gz SDBKCCARORNZGC-WFASDCNBSA-N 1 2 337.345 3.523 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccn1Cc1ccccc1 ZINC000874346693 1137613252 /nfs/dbraw/zinc/61/32/52/1137613252.db2.gz QDPOEVOIJMVPBR-LJQANCHMSA-N 1 2 348.450 3.519 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876657219 1137658269 /nfs/dbraw/zinc/65/82/69/1137658269.db2.gz LSJNPMOSAHOHBH-UHFFFAOYSA-N 1 2 348.369 3.598 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000876657219 1137658270 /nfs/dbraw/zinc/65/82/70/1137658270.db2.gz LSJNPMOSAHOHBH-UHFFFAOYSA-N 1 2 348.369 3.598 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)o1 ZINC000126126767 1137660158 /nfs/dbraw/zinc/66/01/58/1137660158.db2.gz MWSNBFTYSHDDFH-INIZCTEOSA-N 1 2 341.455 3.647 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)o1 ZINC000126126767 1137660159 /nfs/dbraw/zinc/66/01/59/1137660159.db2.gz MWSNBFTYSHDDFH-INIZCTEOSA-N 1 2 341.455 3.647 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000876770662 1137660716 /nfs/dbraw/zinc/66/07/16/1137660716.db2.gz PASAVOLCWCGNBP-KGLIPLIRSA-N 1 2 349.862 3.703 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000876770662 1137660717 /nfs/dbraw/zinc/66/07/17/1137660717.db2.gz PASAVOLCWCGNBP-KGLIPLIRSA-N 1 2 349.862 3.703 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)nn2)cc1 ZINC000876794238 1137661427 /nfs/dbraw/zinc/66/14/27/1137661427.db2.gz POIBXAAMUTWFHW-KKSFZXQISA-N 1 2 348.450 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)nn2)cc1 ZINC000876794238 1137661428 /nfs/dbraw/zinc/66/14/28/1137661428.db2.gz POIBXAAMUTWFHW-KKSFZXQISA-N 1 2 348.450 3.528 20 0 EHADLO CCOC(=O)Nc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000876836288 1137663271 /nfs/dbraw/zinc/66/32/71/1137663271.db2.gz SLJDOTHZXABPOT-UHFFFAOYSA-N 1 2 329.400 3.888 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccnc2Br)C1 ZINC000877342100 1137674527 /nfs/dbraw/zinc/67/45/27/1137674527.db2.gz ITOIYQSVLOTGHY-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccnc2Br)C1 ZINC000877342100 1137674528 /nfs/dbraw/zinc/67/45/28/1137674528.db2.gz ITOIYQSVLOTGHY-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1nc2ccccc2nc1C[NH2+][C@@H]1CCCc2cn(C(C)C)nc21 ZINC000877375849 1137674974 /nfs/dbraw/zinc/67/49/74/1137674974.db2.gz GNACSPUJKQTYDD-GOSISDBHSA-N 1 2 335.455 3.883 20 0 EHADLO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877544401 1137680590 /nfs/dbraw/zinc/68/05/90/1137680590.db2.gz PHBIQXFIXBYQEQ-KRWDZBQOSA-N 1 2 336.888 3.614 20 0 EHADLO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877544401 1137680591 /nfs/dbraw/zinc/68/05/91/1137680591.db2.gz PHBIQXFIXBYQEQ-KRWDZBQOSA-N 1 2 336.888 3.614 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cnc1Cl ZINC000877590325 1137682271 /nfs/dbraw/zinc/68/22/71/1137682271.db2.gz YVPBBMIYKYHTBX-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cnc1Cl ZINC000877590325 1137682272 /nfs/dbraw/zinc/68/22/72/1137682272.db2.gz YVPBBMIYKYHTBX-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)Cc3ccsc3)c2C)no1 ZINC000126605485 1137682719 /nfs/dbraw/zinc/68/27/19/1137682719.db2.gz BJDFDQMKFXAASL-UHFFFAOYSA-N 1 2 343.452 3.767 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)Cc3ccsc3)c2C)no1 ZINC000126605485 1137682720 /nfs/dbraw/zinc/68/27/20/1137682720.db2.gz BJDFDQMKFXAASL-UHFFFAOYSA-N 1 2 343.452 3.767 20 0 EHADLO C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877823058 1137691905 /nfs/dbraw/zinc/69/19/05/1137691905.db2.gz JQPKWOWPAMUVIQ-SWLSCSKDSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877823058 1137691906 /nfs/dbraw/zinc/69/19/06/1137691906.db2.gz JQPKWOWPAMUVIQ-SWLSCSKDSA-N 1 2 339.361 3.618 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCO[C@H](C(C)(C)C)C2 ZINC000877853860 1137693464 /nfs/dbraw/zinc/69/34/64/1137693464.db2.gz NDWZUWNRGULQOQ-JXFKEZNVSA-N 1 2 336.520 3.843 20 0 EHADLO FC1(F)CCC[C@@H]1CCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000877938957 1137696375 /nfs/dbraw/zinc/69/63/75/1137696375.db2.gz PQLAMFSJNJVLCS-QGZVFWFLSA-N 1 2 338.442 3.509 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)o2)c1 ZINC000877984181 1137698382 /nfs/dbraw/zinc/69/83/82/1137698382.db2.gz BTMXCJUNFYMNDN-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)o2)c1 ZINC000877984181 1137698383 /nfs/dbraw/zinc/69/83/83/1137698383.db2.gz BTMXCJUNFYMNDN-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO CCC[N@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1F ZINC000878008295 1137699370 /nfs/dbraw/zinc/69/93/70/1137699370.db2.gz ZBXYIFMGXOUJEC-UHFFFAOYSA-N 1 2 341.386 3.994 20 0 EHADLO CCC[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1F ZINC000878008295 1137699371 /nfs/dbraw/zinc/69/93/71/1137699371.db2.gz ZBXYIFMGXOUJEC-UHFFFAOYSA-N 1 2 341.386 3.994 20 0 EHADLO CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878013506 1137699518 /nfs/dbraw/zinc/69/95/18/1137699518.db2.gz JZCORDLQPBITER-UYAOXDASSA-N 1 2 325.456 3.764 20 0 EHADLO Clc1ncsc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000878043605 1137700453 /nfs/dbraw/zinc/70/04/53/1137700453.db2.gz ZGOPUOVDKWSQMV-GFCCVEGCSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncsc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000878043605 1137700454 /nfs/dbraw/zinc/70/04/54/1137700454.db2.gz ZGOPUOVDKWSQMV-GFCCVEGCSA-N 1 2 336.844 3.905 20 0 EHADLO c1cc([C@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)cc2c1OCO2 ZINC000878047401 1137700768 /nfs/dbraw/zinc/70/07/68/1137700768.db2.gz FGTKRLCLORTKNK-OAHLLOKOSA-N 1 2 326.396 3.619 20 0 EHADLO c1cc([C@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)cc2c1OCO2 ZINC000878047401 1137700769 /nfs/dbraw/zinc/70/07/69/1137700769.db2.gz FGTKRLCLORTKNK-OAHLLOKOSA-N 1 2 326.396 3.619 20 0 EHADLO C[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@H](c2ccco2)C1 ZINC000878153590 1137704817 /nfs/dbraw/zinc/70/48/17/1137704817.db2.gz VQIRNOGINJFNIC-CABCVRRESA-N 1 2 327.490 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@H](c2ccco2)C1 ZINC000878153590 1137704818 /nfs/dbraw/zinc/70/48/18/1137704818.db2.gz VQIRNOGINJFNIC-CABCVRRESA-N 1 2 327.490 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1C ZINC000826030390 1137707432 /nfs/dbraw/zinc/70/74/32/1137707432.db2.gz AXIZKQMTVBWQIK-SFHVURJKSA-N 1 2 343.471 3.593 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)n1 ZINC000878256154 1137708781 /nfs/dbraw/zinc/70/87/81/1137708781.db2.gz WKQDYYDQJZCBSD-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)n1 ZINC000878256154 1137708782 /nfs/dbraw/zinc/70/87/82/1137708782.db2.gz WKQDYYDQJZCBSD-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878301986 1137710491 /nfs/dbraw/zinc/71/04/91/1137710491.db2.gz FQOFYKAAFLBJGX-CQSZACIVSA-N 1 2 346.500 3.910 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000878301986 1137710492 /nfs/dbraw/zinc/71/04/92/1137710492.db2.gz FQOFYKAAFLBJGX-CQSZACIVSA-N 1 2 346.500 3.910 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878317228 1137710834 /nfs/dbraw/zinc/71/08/34/1137710834.db2.gz OOCOIQFIVJNSSP-INIZCTEOSA-N 1 2 327.457 3.522 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878317228 1137710835 /nfs/dbraw/zinc/71/08/35/1137710835.db2.gz OOCOIQFIVJNSSP-INIZCTEOSA-N 1 2 327.457 3.522 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC000878351463 1137711948 /nfs/dbraw/zinc/71/19/48/1137711948.db2.gz YQJUEULVUACACR-INIZCTEOSA-N 1 2 341.238 3.610 20 0 EHADLO C[N@H+](Cc1scnc1Cl)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000878449006 1137716542 /nfs/dbraw/zinc/71/65/42/1137716542.db2.gz MRNXKWPTRWTZGH-NSHDSACASA-N 1 2 345.896 3.532 20 0 EHADLO C[N@@H+](Cc1scnc1Cl)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000878449006 1137716543 /nfs/dbraw/zinc/71/65/43/1137716543.db2.gz MRNXKWPTRWTZGH-NSHDSACASA-N 1 2 345.896 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC(C)(C)CC(F)F)c1C ZINC000878530843 1137719219 /nfs/dbraw/zinc/71/92/19/1137719219.db2.gz ZCOFEHBPIOJFHG-UHFFFAOYSA-N 1 2 328.403 3.737 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2s1 ZINC000878552741 1137719874 /nfs/dbraw/zinc/71/98/74/1137719874.db2.gz AYLPEPFVAICTAQ-UHFFFAOYSA-N 1 2 345.493 3.943 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2noc3c2CC(C)(C)CC3)C2CC2)cn1 ZINC000879066789 1137736943 /nfs/dbraw/zinc/73/69/43/1137736943.db2.gz OIJRPEONZLHGRI-LJQANCHMSA-N 1 2 341.455 3.834 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000880001764 1137764331 /nfs/dbraw/zinc/76/43/31/1137764331.db2.gz ASSAUCSIGSBWKB-AWEZNQCLSA-N 1 2 327.375 3.979 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000880001764 1137764332 /nfs/dbraw/zinc/76/43/32/1137764332.db2.gz ASSAUCSIGSBWKB-AWEZNQCLSA-N 1 2 327.375 3.979 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(C)c1C ZINC000880002102 1137764526 /nfs/dbraw/zinc/76/45/26/1137764526.db2.gz VNHLQDTUUKEHDH-CQSZACIVSA-N 1 2 334.407 3.886 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(C)c1C ZINC000880002102 1137764527 /nfs/dbraw/zinc/76/45/27/1137764527.db2.gz VNHLQDTUUKEHDH-CQSZACIVSA-N 1 2 334.407 3.886 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062115 1137766909 /nfs/dbraw/zinc/76/69/09/1137766909.db2.gz HXSGJKAKNHPELA-UHIISALHSA-N 1 2 328.334 3.931 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062115 1137766910 /nfs/dbraw/zinc/76/69/10/1137766910.db2.gz HXSGJKAKNHPELA-UHIISALHSA-N 1 2 328.334 3.931 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000880175611 1137769873 /nfs/dbraw/zinc/76/98/73/1137769873.db2.gz BKIDHTCNJKVRDI-GOSISDBHSA-N 1 2 343.496 3.518 20 0 EHADLO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000880175611 1137769874 /nfs/dbraw/zinc/76/98/74/1137769874.db2.gz BKIDHTCNJKVRDI-GOSISDBHSA-N 1 2 343.496 3.518 20 0 EHADLO C=Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000880212053 1137771186 /nfs/dbraw/zinc/77/11/86/1137771186.db2.gz DZCBJMVIDCDMDQ-INIZCTEOSA-N 1 2 336.439 3.635 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000880300723 1137774015 /nfs/dbraw/zinc/77/40/15/1137774015.db2.gz HSMNLOWCDBYGFX-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000880300723 1137774016 /nfs/dbraw/zinc/77/40/16/1137774016.db2.gz HSMNLOWCDBYGFX-INIZCTEOSA-N 1 2 340.345 3.803 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000880375744 1137777194 /nfs/dbraw/zinc/77/71/94/1137777194.db2.gz KAKFSAUVGCHGNU-NSHDSACASA-N 1 2 327.409 3.623 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000880375744 1137777195 /nfs/dbraw/zinc/77/71/95/1137777195.db2.gz KAKFSAUVGCHGNU-NSHDSACASA-N 1 2 327.409 3.623 20 0 EHADLO CC(C)(C)OC1CC(N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000128459014 1137779983 /nfs/dbraw/zinc/77/99/83/1137779983.db2.gz ZDNWAAMDEXCPSY-JXMROGBWSA-N 1 2 328.500 3.664 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137884207 1137780834 /nfs/dbraw/zinc/78/08/34/1137780834.db2.gz MXWLYWPQVBEQDV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137884207 1137780835 /nfs/dbraw/zinc/78/08/35/1137780835.db2.gz MXWLYWPQVBEQDV-MRXNPFEDSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128588056 1137786820 /nfs/dbraw/zinc/78/68/20/1137786820.db2.gz SLDNYRFUZPEQDB-LBPRGKRZSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128588056 1137786821 /nfs/dbraw/zinc/78/68/21/1137786821.db2.gz SLDNYRFUZPEQDB-LBPRGKRZSA-N 1 2 340.254 3.689 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@@H+](CCc1cscn1)C2 ZINC000626132383 1137787106 /nfs/dbraw/zinc/78/71/06/1137787106.db2.gz GOWZNMFJDFZTOS-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO Fc1cc(Br)c2c(c1)CC[N@H+](CCc1cscn1)C2 ZINC000626132383 1137787107 /nfs/dbraw/zinc/78/71/07/1137787107.db2.gz GOWZNMFJDFZTOS-UHFFFAOYSA-N 1 2 341.249 3.646 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000880775761 1137789119 /nfs/dbraw/zinc/78/91/19/1137789119.db2.gz QBEIIKOCQZATDN-CYBMUJFWSA-N 1 2 348.397 3.943 20 0 EHADLO COc1cccc(Cl)c1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000880805091 1137790303 /nfs/dbraw/zinc/79/03/03/1137790303.db2.gz CUGVERBXRIPEOH-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCC[C@H]2c2ccccc2)c1=S ZINC000128661005 1137791416 /nfs/dbraw/zinc/79/14/16/1137791416.db2.gz PRWNYQRGRUDUOA-ZDUSSCGKSA-N 1 2 342.390 3.771 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCC[C@H]2c2ccccc2)c1=S ZINC000128661005 1137791417 /nfs/dbraw/zinc/79/14/17/1137791417.db2.gz PRWNYQRGRUDUOA-ZDUSSCGKSA-N 1 2 342.390 3.771 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1=S ZINC000128661205 1137791469 /nfs/dbraw/zinc/79/14/69/1137791469.db2.gz PRWNYQRGRUDUOA-CYBMUJFWSA-N 1 2 342.390 3.771 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCC[C@@H]2c2ccccc2)c1=S ZINC000128661205 1137791470 /nfs/dbraw/zinc/79/14/70/1137791470.db2.gz PRWNYQRGRUDUOA-CYBMUJFWSA-N 1 2 342.390 3.771 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000880865383 1137792201 /nfs/dbraw/zinc/79/22/01/1137792201.db2.gz KORRTQRCCSVEDV-UHFFFAOYSA-N 1 2 340.427 3.591 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC001137169658 1137817781 /nfs/dbraw/zinc/81/77/81/1137817781.db2.gz LVBJMUZGGGIBDQ-IRXDYDNUSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC001137169658 1137817782 /nfs/dbraw/zinc/81/77/82/1137817782.db2.gz LVBJMUZGGGIBDQ-IRXDYDNUSA-N 1 2 344.842 3.861 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137169743 1137817860 /nfs/dbraw/zinc/81/78/60/1137817860.db2.gz QXTKNBAIEWDNBW-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137169743 1137817861 /nfs/dbraw/zinc/81/78/61/1137817861.db2.gz QXTKNBAIEWDNBW-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1cscc1CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888905343 1137822152 /nfs/dbraw/zinc/82/21/52/1137822152.db2.gz LHRMJNOZNFVSHA-WKILWMFISA-N 1 2 344.484 3.674 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882574720 1137829843 /nfs/dbraw/zinc/82/98/43/1137829843.db2.gz JSFCCRQGPGDYOR-ZANVPECISA-N 1 2 329.297 3.800 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882574720 1137829844 /nfs/dbraw/zinc/82/98/44/1137829844.db2.gz JSFCCRQGPGDYOR-ZANVPECISA-N 1 2 329.297 3.800 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCCC1(F)F ZINC000882871977 1137836224 /nfs/dbraw/zinc/83/62/24/1137836224.db2.gz SVPGSXKBUBWKRQ-CVEARBPZSA-N 1 2 333.382 3.566 20 0 EHADLO CC(C)(CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000882871738 1137836261 /nfs/dbraw/zinc/83/62/61/1137836261.db2.gz NFZNJSCKQPBFES-CQSZACIVSA-N 1 2 339.361 3.719 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000130741011 1137841451 /nfs/dbraw/zinc/84/14/51/1137841451.db2.gz IUZNDVORDJLOOV-UHFFFAOYSA-N 1 2 338.274 3.773 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC000130741011 1137841452 /nfs/dbraw/zinc/84/14/52/1137841452.db2.gz IUZNDVORDJLOOV-UHFFFAOYSA-N 1 2 338.274 3.773 20 0 EHADLO Cc1cn[nH]c1C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000883302943 1137853616 /nfs/dbraw/zinc/85/36/16/1137853616.db2.gz LMERNSXVTYXIBH-UHFFFAOYSA-N 1 2 340.652 3.913 20 0 EHADLO Cc1c[nH]nc1C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000883302943 1137853617 /nfs/dbraw/zinc/85/36/17/1137853617.db2.gz LMERNSXVTYXIBH-UHFFFAOYSA-N 1 2 340.652 3.913 20 0 EHADLO CCC(=O)N(C)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000883316259 1137854251 /nfs/dbraw/zinc/85/42/51/1137854251.db2.gz RBQWQDQGEQXICB-UHFFFAOYSA-N 1 2 338.455 3.535 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]1C)n1cc[nH+]c1 ZINC001137188134 1137857696 /nfs/dbraw/zinc/85/76/96/1137857696.db2.gz QKXGRTYPJTVDMH-NZSAHSFTSA-N 1 2 325.456 3.875 20 0 EHADLO Cc1nn2c(C[NH2+][C@@H]3c4ccccc4CC[C@@H]3F)c(C)nc2s1 ZINC000883382812 1137858343 /nfs/dbraw/zinc/85/83/43/1137858343.db2.gz NOYHTJRLYKGUQK-GOEBONIOSA-N 1 2 330.432 3.523 20 0 EHADLO COc1cc(F)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1OC ZINC000883381480 1137858478 /nfs/dbraw/zinc/85/84/78/1137858478.db2.gz NWFROAYZAQRHMB-BEFAXECRSA-N 1 2 333.378 3.958 20 0 EHADLO F[C@@H]1COc2ccccc2[C@@H]1N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388986 1137859201 /nfs/dbraw/zinc/85/92/01/1137859201.db2.gz IHDLDTKJGYYBLV-HBFSDRIKSA-N 1 2 337.398 3.686 20 0 EHADLO O=C(NCC1(C2CC2)CCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883546452 1137863399 /nfs/dbraw/zinc/86/33/99/1137863399.db2.gz DNNMCTVIHWOJKZ-SFHVURJKSA-N 1 2 338.455 3.504 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704032 1137868675 /nfs/dbraw/zinc/86/86/75/1137868675.db2.gz ARDBSNIXGCDARL-SMDDNHRTSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704032 1137868676 /nfs/dbraw/zinc/86/86/76/1137868676.db2.gz ARDBSNIXGCDARL-SMDDNHRTSA-N 1 2 336.432 3.640 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cn2c3ccccc3oc2=S)oc1C ZINC000028793168 1137869718 /nfs/dbraw/zinc/86/97/18/1137869718.db2.gz FINGHQQWLCPMHX-UHFFFAOYSA-N 1 2 346.408 3.741 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cn2c3ccccc3oc2=S)oc1C ZINC000028793168 1137869719 /nfs/dbraw/zinc/86/97/19/1137869719.db2.gz FINGHQQWLCPMHX-UHFFFAOYSA-N 1 2 346.408 3.741 20 0 EHADLO C[C@@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C)n1cc[nH+]c1 ZINC001137197334 1137870206 /nfs/dbraw/zinc/87/02/06/1137870206.db2.gz RFLBPVHURPZFGY-MNOVXSKESA-N 1 2 338.238 3.897 20 0 EHADLO COc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000104976219 1137879738 /nfs/dbraw/zinc/87/97/38/1137879738.db2.gz BENUIKQCRRBTPE-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877609 1137884733 /nfs/dbraw/zinc/88/47/33/1137884733.db2.gz JDNPZBHHFYAJIT-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877609 1137884734 /nfs/dbraw/zinc/88/47/34/1137884734.db2.gz JDNPZBHHFYAJIT-ZDUSSCGKSA-N 1 2 331.485 3.954 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000133635981 1137903540 /nfs/dbraw/zinc/90/35/40/1137903540.db2.gz HKYMZDCMERLHPZ-UHFFFAOYSA-N 1 2 335.407 3.634 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000133635981 1137903541 /nfs/dbraw/zinc/90/35/41/1137903541.db2.gz HKYMZDCMERLHPZ-UHFFFAOYSA-N 1 2 335.407 3.634 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000111376444 1137904423 /nfs/dbraw/zinc/90/44/23/1137904423.db2.gz YMIKRKPOQNPMHV-CHWSQXEVSA-N 1 2 349.475 3.542 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000111377029 1137904517 /nfs/dbraw/zinc/90/45/17/1137904517.db2.gz BOHJWVCUSPQFSC-OLZOCXBDSA-N 1 2 347.484 3.782 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001137203214 1137910560 /nfs/dbraw/zinc/91/05/60/1137910560.db2.gz POSHILLIKWCZRM-OCCSQVGLSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001137203214 1137910561 /nfs/dbraw/zinc/91/05/61/1137910561.db2.gz POSHILLIKWCZRM-OCCSQVGLSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001137203215 1137910576 /nfs/dbraw/zinc/91/05/76/1137910576.db2.gz POSHILLIKWCZRM-TZMCWYRMSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001137203215 1137910577 /nfs/dbraw/zinc/91/05/77/1137910577.db2.gz POSHILLIKWCZRM-TZMCWYRMSA-N 1 2 343.393 3.875 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113265593 1137912296 /nfs/dbraw/zinc/91/22/96/1137912296.db2.gz KWVSWWITUSHNFO-HXUWFJFHSA-N 1 2 341.455 3.517 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113265593 1137912297 /nfs/dbraw/zinc/91/22/97/1137912297.db2.gz KWVSWWITUSHNFO-HXUWFJFHSA-N 1 2 341.455 3.517 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000331647225 1137916010 /nfs/dbraw/zinc/91/60/10/1137916010.db2.gz KIXVUPZFKIKYTK-OAHLLOKOSA-N 1 2 344.463 3.556 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000114417725 1137917237 /nfs/dbraw/zinc/91/72/37/1137917237.db2.gz ASFLNGJDKWCSES-OAQYLSRUSA-N 1 2 345.446 3.561 20 0 EHADLO CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000331690576 1137917241 /nfs/dbraw/zinc/91/72/41/1137917241.db2.gz WTTQZAZQAZLACS-BBRMVZONSA-N 1 2 333.819 3.525 20 0 EHADLO CCc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114805482 1137919034 /nfs/dbraw/zinc/91/90/34/1137919034.db2.gz CKYGZPNBOYGFBP-INIZCTEOSA-N 1 2 338.455 3.555 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000331802277 1137921417 /nfs/dbraw/zinc/92/14/17/1137921417.db2.gz QSQIKQBAOBCDJW-YOEHRIQHSA-N 1 2 329.419 3.872 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331816618 1137921780 /nfs/dbraw/zinc/92/17/80/1137921780.db2.gz UYAZKHCYPUYYMS-CABCVRRESA-N 1 2 344.463 3.625 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880516 1137924247 /nfs/dbraw/zinc/92/42/47/1137924247.db2.gz UZUFCQRICGQBSY-WPRPVWTQSA-N 1 2 345.394 3.529 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000331880516 1137924248 /nfs/dbraw/zinc/92/42/48/1137924248.db2.gz UZUFCQRICGQBSY-WPRPVWTQSA-N 1 2 345.394 3.529 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000348310973 1137933520 /nfs/dbraw/zinc/93/35/20/1137933520.db2.gz XOSOZELRBYZSHD-UHFFFAOYSA-N 1 2 342.508 3.807 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000348310973 1137933521 /nfs/dbraw/zinc/93/35/21/1137933521.db2.gz XOSOZELRBYZSHD-UHFFFAOYSA-N 1 2 342.508 3.807 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332151948 1137933600 /nfs/dbraw/zinc/93/36/00/1137933600.db2.gz INRJUROEONIVKR-XDNAFOTISA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332151950 1137933686 /nfs/dbraw/zinc/93/36/86/1137933686.db2.gz INRJUROEONIVKR-XMTFNYHQSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000118848631 1137935937 /nfs/dbraw/zinc/93/59/37/1137935937.db2.gz KISJFNZZBWPWCN-UHFFFAOYSA-N 1 2 331.485 3.904 20 0 EHADLO Cc1nc([C@H]2C[N@H+](Cc3c(C)cc(C(C)(C)C)cc3C)CCO2)no1 ZINC000332352220 1137941104 /nfs/dbraw/zinc/94/11/04/1137941104.db2.gz SUIUHSWDSGKNBF-GOSISDBHSA-N 1 2 343.471 3.866 20 0 EHADLO Cc1nc([C@H]2C[N@@H+](Cc3c(C)cc(C(C)(C)C)cc3C)CCO2)no1 ZINC000332352220 1137941105 /nfs/dbraw/zinc/94/11/05/1137941105.db2.gz SUIUHSWDSGKNBF-GOSISDBHSA-N 1 2 343.471 3.866 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000119573943 1137942912 /nfs/dbraw/zinc/94/29/12/1137942912.db2.gz YCBLUJMEFMAZBS-UHFFFAOYSA-N 1 2 327.519 3.601 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000120048158 1137946300 /nfs/dbraw/zinc/94/63/00/1137946300.db2.gz VRAKWQZEYXZZDG-GOSISDBHSA-N 1 2 328.460 3.620 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000120810625 1137952576 /nfs/dbraw/zinc/95/25/76/1137952576.db2.gz VWWKTWBJJCVODO-CABCVRRESA-N 1 2 348.454 3.918 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cccnc1Cl ZINC000134288966 1137953027 /nfs/dbraw/zinc/95/30/27/1137953027.db2.gz SZKHWNQRJSPZAR-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cccnc1Cl ZINC000134288966 1137953028 /nfs/dbraw/zinc/95/30/28/1137953028.db2.gz SZKHWNQRJSPZAR-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282917469 1137954501 /nfs/dbraw/zinc/95/45/01/1137954501.db2.gz SLNZLGDWYVQEAQ-AWEZNQCLSA-N 1 2 342.418 3.770 20 0 EHADLO Cc1ccc2nc(C[NH+]3CC4(CN(Cc5ccccc5)C4)C3)ccc2c1 ZINC001137217377 1137989774 /nfs/dbraw/zinc/98/97/74/1137989774.db2.gz VGPSCUCJBLFTRN-UHFFFAOYSA-N 1 2 343.474 3.861 20 0 EHADLO C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000885257038 1137993604 /nfs/dbraw/zinc/99/36/04/1137993604.db2.gz PQKICOGWLZMLAB-SFHVURJKSA-N 1 2 325.437 3.633 20 0 EHADLO CC1CCN(c2ccc(F)cc2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000885637531 1138013416 /nfs/dbraw/zinc/01/34/16/1138013416.db2.gz RANWOPABZZZLSY-UHFFFAOYSA-N 1 2 344.434 3.677 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C)cc(OC)c2OC)o1 ZINC000885999739 1138031406 /nfs/dbraw/zinc/03/14/06/1138031406.db2.gz MFLZJIZKTWFDPM-MRXNPFEDSA-N 1 2 333.428 3.645 20 0 EHADLO Cc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000049072551 1138043630 /nfs/dbraw/zinc/04/36/30/1138043630.db2.gz BLRBDYIRNMFVIY-UHFFFAOYSA-N 1 2 345.493 3.562 20 0 EHADLO COc1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)c(C)c1OC ZINC000348362052 1138044817 /nfs/dbraw/zinc/04/48/17/1138044817.db2.gz YBFXTOZVJJSAAG-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO COc1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)c(C)c1OC ZINC000348362052 1138044818 /nfs/dbraw/zinc/04/48/18/1138044818.db2.gz YBFXTOZVJJSAAG-UHFFFAOYSA-N 1 2 331.387 3.546 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c(Cl)c1 ZINC000054322845 1138050074 /nfs/dbraw/zinc/05/00/74/1138050074.db2.gz QLKUNBMFLDZBNN-UHFFFAOYSA-N 1 2 338.879 3.724 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(Cl)cn1 ZINC000886136014 1138050878 /nfs/dbraw/zinc/05/08/78/1138050878.db2.gz CWGPAKTUOKVLOZ-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1c(C)noc1C)CC2 ZINC000057622728 1138059992 /nfs/dbraw/zinc/05/99/92/1138059992.db2.gz WQLGGLRAILAKLJ-UHFFFAOYSA-N 1 2 330.428 3.647 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1c(C)noc1C)CC2 ZINC000057622728 1138059994 /nfs/dbraw/zinc/05/99/94/1138059994.db2.gz WQLGGLRAILAKLJ-UHFFFAOYSA-N 1 2 330.428 3.647 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890265192 1138069721 /nfs/dbraw/zinc/06/97/21/1138069721.db2.gz NGACMDPBQPOBKJ-QRQLOZEOSA-N 1 2 340.471 3.845 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000066565760 1138076180 /nfs/dbraw/zinc/07/61/80/1138076180.db2.gz HBLQLKUGKLPPQR-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000066565760 1138076183 /nfs/dbraw/zinc/07/61/83/1138076183.db2.gz HBLQLKUGKLPPQR-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)cs1 ZINC000886544818 1138093936 /nfs/dbraw/zinc/09/39/36/1138093936.db2.gz BFCNBRAQDLYJRN-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@@H](C)[C@H]2c2ccccc2)cs1 ZINC000886544818 1138093939 /nfs/dbraw/zinc/09/39/39/1138093939.db2.gz BFCNBRAQDLYJRN-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO COC(=O)c1cncc([C@@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000886645222 1138105623 /nfs/dbraw/zinc/10/56/23/1138105623.db2.gz TWCNPGZICNYCOD-GFCCVEGCSA-N 1 2 346.377 3.876 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000072662812 1138106825 /nfs/dbraw/zinc/10/68/25/1138106825.db2.gz RBEPZPBJTISHFJ-MRXNPFEDSA-N 1 2 345.512 3.871 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c(C)cccc1C ZINC000074955772 1138125123 /nfs/dbraw/zinc/12/51/23/1138125123.db2.gz MFSFFXWISWUNAY-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO CC(C)OC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000886722041 1138125398 /nfs/dbraw/zinc/12/53/98/1138125398.db2.gz SEKXZXLCTDXPOZ-GFCCVEGCSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1Cl ZINC000076318138 1138130851 /nfs/dbraw/zinc/13/08/51/1138130851.db2.gz UVZNAXIBAMGVJQ-PXAZEXFGSA-N 1 2 334.822 3.959 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCOC2(CCC2)C1 ZINC000886776979 1138138842 /nfs/dbraw/zinc/13/88/42/1138138842.db2.gz VAYOPYHYAUKIAJ-FUHWJXTLSA-N 1 2 332.492 3.755 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc(SC(F)(F)F)c1 ZINC000886931747 1138173466 /nfs/dbraw/zinc/17/34/66/1138173466.db2.gz ZQVPOFSFXZCCPN-SECBINFHSA-N 1 2 328.363 3.522 20 0 EHADLO FC(F)C[N@H+](CCCc1nc(-c2cccs2)no1)C1CCC1 ZINC000887099246 1138210337 /nfs/dbraw/zinc/21/03/37/1138210337.db2.gz WXRLQAKJVOOACS-UHFFFAOYSA-N 1 2 327.400 3.850 20 0 EHADLO FC(F)C[N@@H+](CCCc1nc(-c2cccs2)no1)C1CCC1 ZINC000887099246 1138210341 /nfs/dbraw/zinc/21/03/41/1138210341.db2.gz WXRLQAKJVOOACS-UHFFFAOYSA-N 1 2 327.400 3.850 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccn1 ZINC000090912992 1138214271 /nfs/dbraw/zinc/21/42/71/1138214271.db2.gz ZKPOKIULWOGCAR-UTKZUKDTSA-N 1 2 348.450 3.580 20 0 EHADLO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cnccc1Cl ZINC001137238449 1138224140 /nfs/dbraw/zinc/22/41/40/1138224140.db2.gz WVBBDPDDMBANIK-AWEZNQCLSA-N 1 2 334.847 3.781 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cnccc1Cl ZINC001137238449 1138224143 /nfs/dbraw/zinc/22/41/43/1138224143.db2.gz WVBBDPDDMBANIK-AWEZNQCLSA-N 1 2 334.847 3.781 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234940 1138235110 /nfs/dbraw/zinc/23/51/10/1138235110.db2.gz FUNQUZPBRBVCCO-KRWDZBQOSA-N 1 2 337.467 3.574 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2cccnc2)C2CC2)cc1 ZINC000093234940 1138235111 /nfs/dbraw/zinc/23/51/11/1138235111.db2.gz FUNQUZPBRBVCCO-KRWDZBQOSA-N 1 2 337.467 3.574 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]C[C@H]3CCCO3)c3ccccc3)n2)cc1 ZINC000122934404 1138264490 /nfs/dbraw/zinc/26/44/90/1138264490.db2.gz KMJJTQHGMFOGQK-QZTJIDSGSA-N 1 2 335.407 3.595 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000123327155 1138269099 /nfs/dbraw/zinc/26/90/99/1138269099.db2.gz AWRCBPQHKDTISF-SWLSCSKDSA-N 1 2 337.345 3.625 20 0 EHADLO CC(C)(CC1CCCCCC1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333582809 1138307256 /nfs/dbraw/zinc/30/72/56/1138307256.db2.gz VWBCRPCDURKYAJ-MRXNPFEDSA-N 1 2 332.492 3.636 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263844407 1138379146 /nfs/dbraw/zinc/37/91/46/1138379146.db2.gz QUSKPNQCBYUEJW-GOSISDBHSA-N 1 2 340.471 3.739 20 0 EHADLO CC(C)c1csc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000128700527 1138395777 /nfs/dbraw/zinc/39/57/77/1138395777.db2.gz AZFIPOLQWSWXCV-GFCCVEGCSA-N 1 2 338.498 3.521 20 0 EHADLO CC(C)[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000263949462 1138396626 /nfs/dbraw/zinc/39/66/26/1138396626.db2.gz ZFNREGQDELBAJW-INIZCTEOSA-N 1 2 339.361 3.806 20 0 EHADLO C[C@H]1CCCC[C@@]1(C)n1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531555 1138398888 /nfs/dbraw/zinc/39/88/88/1138398888.db2.gz UBHFECGHSIHVJG-SUMWQHHRSA-N 1 2 342.472 3.572 20 0 EHADLO CCn1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)nn1 ZINC000887546565 1138410868 /nfs/dbraw/zinc/41/08/68/1138410868.db2.gz WXZSWMMFNVPTBI-UHFFFAOYSA-N 1 2 336.892 3.708 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H](CCO)c2ccccc2)cs1 ZINC000336870945 1138418186 /nfs/dbraw/zinc/41/81/86/1138418186.db2.gz KQGQQEUCXZXIMG-RHSMWYFYSA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cs1 ZINC000336870945 1138418188 /nfs/dbraw/zinc/41/81/88/1138418188.db2.gz KQGQQEUCXZXIMG-RHSMWYFYSA-N 1 2 334.485 3.796 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cc(F)cc(F)c2)c1)[NH+]1CCOCC1 ZINC000264281125 1138463112 /nfs/dbraw/zinc/46/31/12/1138463112.db2.gz UDOKJXBKQBWRAJ-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000130672487 1138468305 /nfs/dbraw/zinc/46/83/05/1138468305.db2.gz IEWNMKKMGFKOFN-CQSZACIVSA-N 1 2 347.459 3.614 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337129543 1138473649 /nfs/dbraw/zinc/47/36/49/1138473649.db2.gz IXQOCUCUCYEXSA-IXDOHACOSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337133216 1138474864 /nfs/dbraw/zinc/47/48/64/1138474864.db2.gz CDADUKVKPMDJTB-HOTGVXAUSA-N 1 2 331.504 3.998 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1c(F)cccc1F ZINC000264343243 1138482741 /nfs/dbraw/zinc/48/27/41/1138482741.db2.gz ZZNKVMRTMGIUNF-CYBMUJFWSA-N 1 2 348.397 3.612 20 0 EHADLO CCS[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000337165045 1138483544 /nfs/dbraw/zinc/48/35/44/1138483544.db2.gz XHPMRBSPPOBJSD-RDJZCZTQSA-N 1 2 349.544 3.703 20 0 EHADLO C[C@@H]1CCC[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000337213560 1138496840 /nfs/dbraw/zinc/49/68/40/1138496840.db2.gz CUJJVFUHCCUMBF-KGLIPLIRSA-N 1 2 336.505 3.687 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)o1 ZINC000131294294 1138507934 /nfs/dbraw/zinc/50/79/34/1138507934.db2.gz SGMQHAMYVSSZBS-IBGZPJMESA-N 1 2 337.423 3.949 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)o1 ZINC000131294294 1138507939 /nfs/dbraw/zinc/50/79/39/1138507939.db2.gz SGMQHAMYVSSZBS-IBGZPJMESA-N 1 2 337.423 3.949 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(CC2CCCCC2)CC1 ZINC000887623613 1138563897 /nfs/dbraw/zinc/56/38/97/1138563897.db2.gz NOKKFQRXQWPGMV-GOSISDBHSA-N 1 2 329.488 3.655 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337423648 1138565028 /nfs/dbraw/zinc/56/50/28/1138565028.db2.gz XTNUSBUHJGVRBA-UHFFFAOYSA-N 1 2 345.414 3.718 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337423648 1138565033 /nfs/dbraw/zinc/56/50/33/1138565033.db2.gz XTNUSBUHJGVRBA-UHFFFAOYSA-N 1 2 345.414 3.718 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000283005729 1138582493 /nfs/dbraw/zinc/58/24/93/1138582493.db2.gz GUOIREKXZUFFJW-JKSUJKDBSA-N 1 2 336.435 3.911 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000283005729 1138582494 /nfs/dbraw/zinc/58/24/94/1138582494.db2.gz GUOIREKXZUFFJW-JKSUJKDBSA-N 1 2 336.435 3.911 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)nn1C ZINC000337505441 1138589059 /nfs/dbraw/zinc/58/90/59/1138589059.db2.gz FHWWIQLCALYLAG-AWEZNQCLSA-N 1 2 340.402 3.906 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)ccc1Cl ZINC000337566661 1138607881 /nfs/dbraw/zinc/60/78/81/1138607881.db2.gz BNHMQYKENOHGBI-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337652206 1138634039 /nfs/dbraw/zinc/63/40/39/1138634039.db2.gz LTKFKXICWGTDGH-IMFGXOCKSA-N 1 2 349.478 3.544 20 0 EHADLO O=C(c1cccc2ccccc21)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337671323 1138639836 /nfs/dbraw/zinc/63/98/36/1138639836.db2.gz WEMZAAAHMVJWLZ-FQEVSTJZSA-N 1 2 334.394 3.766 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H](C)c1ccncc1F ZINC000337812210 1138673743 /nfs/dbraw/zinc/67/37/43/1138673743.db2.gz MZJUFNROHOCHNS-GFCCVEGCSA-N 1 2 339.370 3.541 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1nnc2n1CCC2 ZINC000265217604 1138769376 /nfs/dbraw/zinc/76/93/76/1138769376.db2.gz WEGBVMCLLWZXGE-LLVKDONJSA-N 1 2 344.365 3.613 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2(C3CC3)CCC2)c1)[NH+]1CCOCC1 ZINC000887749782 1138779911 /nfs/dbraw/zinc/77/99/11/1138779911.db2.gz QIWLDWCBQLXDDF-OAHLLOKOSA-N 1 2 343.471 3.534 20 0 EHADLO COC[C@H]([NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000136653453 1138806787 /nfs/dbraw/zinc/80/67/87/1138806787.db2.gz BNDFNQXLZUEZFQ-RBUKOAKNSA-N 1 2 349.434 3.841 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000265476756 1138916674 /nfs/dbraw/zinc/91/66/74/1138916674.db2.gz JKXOBEIYRMGWMG-UHFFFAOYSA-N 1 2 329.469 3.621 20 0 EHADLO CC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000151226272 1139018515 /nfs/dbraw/zinc/01/85/15/1139018515.db2.gz BFNGEHRACJPKSC-SFHVURJKSA-N 1 2 340.452 3.692 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccn2)nnn1-c1ccc(F)cc1 ZINC000152375996 1139087639 /nfs/dbraw/zinc/08/76/39/1139087639.db2.gz RYQSWTSOFNJHAV-CHWSQXEVSA-N 1 2 325.391 3.522 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)c(Cl)cc1F ZINC000152685264 1139103778 /nfs/dbraw/zinc/10/37/78/1139103778.db2.gz DKDWUOZFPKCIMG-UHFFFAOYSA-N 1 2 339.773 3.635 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000152832858 1139110312 /nfs/dbraw/zinc/11/03/12/1139110312.db2.gz YBWUIZJQXHEBHV-JXFKEZNVSA-N 1 2 345.446 3.733 20 0 EHADLO CC(C)c1ccc([C@@H]([NH2+]Cc2ncnn2C)c2cccs2)cc1 ZINC000153403699 1139134405 /nfs/dbraw/zinc/13/44/05/1139134405.db2.gz NXDZOLBLTVRZRS-GOSISDBHSA-N 1 2 326.469 3.879 20 0 EHADLO CCC1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CCCC1 ZINC000153611639 1139144481 /nfs/dbraw/zinc/14/44/81/1139144481.db2.gz OFJAKAWBKBQNMW-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO C[C@@H](CNC(=O)C1(Sc2ccccc2)CCCC1)Cn1cc[nH+]c1 ZINC000153758999 1139150652 /nfs/dbraw/zinc/15/06/52/1139150652.db2.gz KXRBETBFOJQAQF-INIZCTEOSA-N 1 2 343.496 3.741 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000889557013 1139233580 /nfs/dbraw/zinc/23/35/80/1139233580.db2.gz PQQGJYCGFYNEEW-XSLAGTTESA-N 1 2 342.487 3.779 20 0 EHADLO CC(C)CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000890263257 1139334337 /nfs/dbraw/zinc/33/43/37/1139334337.db2.gz YIFLQGOIRGVWOR-SFHVURJKSA-N 1 2 328.460 3.700 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000175120915 1139465531 /nfs/dbraw/zinc/46/55/31/1139465531.db2.gz NKYXOEBEYRDTAM-OAHLLOKOSA-N 1 2 328.441 3.864 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000175120915 1139465535 /nfs/dbraw/zinc/46/55/35/1139465535.db2.gz NKYXOEBEYRDTAM-OAHLLOKOSA-N 1 2 328.441 3.864 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000175234181 1139474846 /nfs/dbraw/zinc/47/48/46/1139474846.db2.gz LXINLPRZDJILHQ-HOTGVXAUSA-N 1 2 344.503 3.790 20 0 EHADLO Cn1ncnc1C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000177122168 1139598493 /nfs/dbraw/zinc/59/84/93/1139598493.db2.gz XNQJDGMGNJHSAG-UHFFFAOYSA-N 1 2 338.377 3.779 20 0 EHADLO Cn1ncnc1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000177122168 1139598495 /nfs/dbraw/zinc/59/84/95/1139598495.db2.gz XNQJDGMGNJHSAG-UHFFFAOYSA-N 1 2 338.377 3.779 20 0 EHADLO C[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(Cl)nc1 ZINC000179664118 1139772683 /nfs/dbraw/zinc/77/26/83/1139772683.db2.gz GISBJKJTQZYUFO-UHFFFAOYSA-N 1 2 332.860 3.954 20 0 EHADLO C[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(Cl)nc1 ZINC000179664118 1139772686 /nfs/dbraw/zinc/77/26/86/1139772686.db2.gz GISBJKJTQZYUFO-UHFFFAOYSA-N 1 2 332.860 3.954 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1cc(F)ccc1F ZINC000179803732 1139784961 /nfs/dbraw/zinc/78/49/61/1139784961.db2.gz DLDJZNPDKGNJKP-OAHLLOKOSA-N 1 2 349.406 3.584 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179861646 1139788495 /nfs/dbraw/zinc/78/84/95/1139788495.db2.gz PVWICXKILROAEP-JTQLQIEISA-N 1 2 340.349 3.508 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000180078674 1139807489 /nfs/dbraw/zinc/80/74/89/1139807489.db2.gz OIJDXMBYRDTNDW-OAHLLOKOSA-N 1 2 325.334 3.892 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180844130 1139867396 /nfs/dbraw/zinc/86/73/96/1139867396.db2.gz LWQDZESJCYHFAQ-PWSUYJOCSA-N 1 2 341.274 3.944 20 0 EHADLO COCc1noc(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000182053226 1139947649 /nfs/dbraw/zinc/94/76/49/1139947649.db2.gz ULCYBRKSQPXSJJ-MRXNPFEDSA-N 1 2 329.444 3.851 20 0 EHADLO COCc1noc(C[N@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000182053226 1139947653 /nfs/dbraw/zinc/94/76/53/1139947653.db2.gz ULCYBRKSQPXSJJ-MRXNPFEDSA-N 1 2 329.444 3.851 20 0 EHADLO CCC[N@H+](Cc1nc(COC)no1)[C@@H](C)c1cc2ccccc2o1 ZINC000182076896 1139948838 /nfs/dbraw/zinc/94/88/38/1139948838.db2.gz VWELPKLWWVQNPW-ZDUSSCGKSA-N 1 2 329.400 3.935 20 0 EHADLO CCC[N@@H+](Cc1nc(COC)no1)[C@@H](C)c1cc2ccccc2o1 ZINC000182076896 1139948841 /nfs/dbraw/zinc/94/88/41/1139948841.db2.gz VWELPKLWWVQNPW-ZDUSSCGKSA-N 1 2 329.400 3.935 20 0 EHADLO CCCC[C@H]([NH2+]Cc1nc([C@@H](C)OC)no1)c1ccc(OC)cc1 ZINC000182142774 1139953380 /nfs/dbraw/zinc/95/33/80/1139953380.db2.gz ICSOADDOBAFSMW-CJNGLKHVSA-N 1 2 333.432 3.807 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000182444057 1139972489 /nfs/dbraw/zinc/97/24/89/1139972489.db2.gz UCYLUAQTHCIQOR-KGLIPLIRSA-N 1 2 338.411 3.690 20 0 EHADLO COCCOc1ccc([C@@H](C)Nc2ccc([NH+](C)C)cc2)cc1OC ZINC000182490013 1139976334 /nfs/dbraw/zinc/97/63/34/1139976334.db2.gz PEMKYEZCOXCSRZ-OAHLLOKOSA-N 1 2 344.455 3.960 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cccnc3Cl)C2)n1 ZINC000182824268 1139995650 /nfs/dbraw/zinc/99/56/50/1139995650.db2.gz FNHCMYXQGYICER-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cccnc3Cl)C2)n1 ZINC000182824268 1139995655 /nfs/dbraw/zinc/99/56/55/1139995655.db2.gz FNHCMYXQGYICER-LBPRGKRZSA-N 1 2 344.768 3.787 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000182850859 1139996766 /nfs/dbraw/zinc/99/67/66/1139996766.db2.gz NMHOLKPPFUTYSF-AWEZNQCLSA-N 1 2 332.469 3.638 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000182929219 1140002262 /nfs/dbraw/zinc/00/22/62/1140002262.db2.gz HZBAEKOTBTZDDB-UHFFFAOYSA-N 1 2 329.469 3.656 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1CC(C)C)c1ccccc1OC(F)F ZINC000183100405 1140013260 /nfs/dbraw/zinc/01/32/60/1140013260.db2.gz IBULKHSAKBYZFX-AWEZNQCLSA-N 1 2 338.402 3.776 20 0 EHADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000183146951 1140015891 /nfs/dbraw/zinc/01/58/91/1140015891.db2.gz UZWIMCNYBXSAMC-LFVRLGFBSA-N 1 2 329.469 3.592 20 0 EHADLO CCC(CC)n1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000183157984 1140016752 /nfs/dbraw/zinc/01/67/52/1140016752.db2.gz KWCDWAQZUJMWRT-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)s1 ZINC000183920087 1140065085 /nfs/dbraw/zinc/06/50/85/1140065085.db2.gz UBDCQBUXFHRAIF-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184158797 1140083977 /nfs/dbraw/zinc/08/39/77/1140083977.db2.gz XPIWRHHJCFSRGG-QGZVFWFLSA-N 1 2 330.428 3.530 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000184482461 1140105168 /nfs/dbraw/zinc/10/51/68/1140105168.db2.gz WKRITYLHVWVKHU-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000184482461 1140105171 /nfs/dbraw/zinc/10/51/71/1140105171.db2.gz WKRITYLHVWVKHU-AWEZNQCLSA-N 1 2 348.468 3.957 20 0 EHADLO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)c1cnccn1 ZINC000184490914 1140105672 /nfs/dbraw/zinc/10/56/72/1140105672.db2.gz APBZFGXUXDFQDI-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)c1cnccn1 ZINC000184490914 1140105674 /nfs/dbraw/zinc/10/56/74/1140105674.db2.gz APBZFGXUXDFQDI-NSHDSACASA-N 1 2 338.224 3.961 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(SC)c1)c1ccc(C)o1 ZINC000184708361 1140116284 /nfs/dbraw/zinc/11/62/84/1140116284.db2.gz WYKHTINRUWDRBN-BBRMVZONSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cs1 ZINC000184732619 1140118019 /nfs/dbraw/zinc/11/80/19/1140118019.db2.gz BCTFCYRPDCTHNQ-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(SC)cc1)c1ccc(C)o1 ZINC000184747079 1140118960 /nfs/dbraw/zinc/11/89/60/1140118960.db2.gz ZYCGEHHFYXCFKS-XJKSGUPXSA-N 1 2 348.468 3.614 20 0 EHADLO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185242041 1140141118 /nfs/dbraw/zinc/14/11/18/1140141118.db2.gz JYAZDJNQDLYMIO-BLLLJJGKSA-N 1 2 333.407 3.641 20 0 EHADLO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185242027 1140141304 /nfs/dbraw/zinc/14/13/04/1140141304.db2.gz JYAZDJNQDLYMIO-WBMJQRKESA-N 1 2 333.407 3.641 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000185812028 1140171585 /nfs/dbraw/zinc/17/15/85/1140171585.db2.gz GXXPMRREQPXFBD-SNVBAGLBSA-N 1 2 345.752 3.621 20 0 EHADLO COCC1=CC[N@H+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000185864531 1140174560 /nfs/dbraw/zinc/17/45/60/1140174560.db2.gz ZEDMDPANJQPCCB-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO COCC1=CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000185864531 1140174562 /nfs/dbraw/zinc/17/45/62/1140174562.db2.gz ZEDMDPANJQPCCB-UHFFFAOYSA-N 1 2 330.453 3.597 20 0 EHADLO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185938646 1140178679 /nfs/dbraw/zinc/17/86/79/1140178679.db2.gz RUXYGBVZQHHOML-KOLCDFICSA-N 1 2 349.422 3.650 20 0 EHADLO Cc1cc2occ(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000186095885 1140186144 /nfs/dbraw/zinc/18/61/44/1140186144.db2.gz FVDLLHPFSFHKCL-ACJLOTCBSA-N 1 2 337.423 3.969 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)OCCO2 ZINC000186819328 1140223094 /nfs/dbraw/zinc/22/30/94/1140223094.db2.gz WUMBEYXEAUVQLO-ZDUSSCGKSA-N 1 2 346.427 3.612 20 0 EHADLO CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104419 1140238560 /nfs/dbraw/zinc/23/85/60/1140238560.db2.gz PBBUHBWAUYHNRP-WBVHZDCISA-N 1 2 342.443 3.614 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCCc2ccccc2C1 ZINC000187676905 1140267006 /nfs/dbraw/zinc/26/70/06/1140267006.db2.gz QFQHDKHVNLIQEN-HNNXBMFYSA-N 1 2 329.465 3.600 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCCc2ccccc2C1 ZINC000187676905 1140267007 /nfs/dbraw/zinc/26/70/07/1140267007.db2.gz QFQHDKHVNLIQEN-HNNXBMFYSA-N 1 2 329.465 3.600 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(C(F)(F)F)s2)c1C ZINC000188155852 1140285210 /nfs/dbraw/zinc/28/52/10/1140285210.db2.gz JBDBBPJAAIJAPB-UHFFFAOYSA-N 1 2 335.376 3.870 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc2sccc2[nH]1 ZINC000188664383 1140304739 /nfs/dbraw/zinc/30/47/39/1140304739.db2.gz INQKCPCRFRXZKR-UHFFFAOYSA-N 1 2 340.452 3.545 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000188776477 1140307725 /nfs/dbraw/zinc/30/77/25/1140307725.db2.gz JGSZBOTVNYLXCE-UHFFFAOYSA-N 1 2 341.455 3.841 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)CC2(c3ccccc3)CC2)cs1 ZINC000189309017 1140334091 /nfs/dbraw/zinc/33/40/91/1140334091.db2.gz ZTIYHXSWEDRJJQ-UHFFFAOYSA-N 1 2 343.496 3.680 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)CC2(c3ccccc3)CC2)cs1 ZINC000189309017 1140334098 /nfs/dbraw/zinc/33/40/98/1140334098.db2.gz ZTIYHXSWEDRJJQ-UHFFFAOYSA-N 1 2 343.496 3.680 20 0 EHADLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191312268 1140453632 /nfs/dbraw/zinc/45/36/32/1140453632.db2.gz KBTOVHOYDXHQBL-OAHLLOKOSA-N 1 2 330.476 3.809 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)nn1 ZINC000191455698 1140465388 /nfs/dbraw/zinc/46/53/88/1140465388.db2.gz OVHIVNRVWDMIQI-UHFFFAOYSA-N 1 2 335.455 3.804 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)nn1 ZINC000191455698 1140465390 /nfs/dbraw/zinc/46/53/90/1140465390.db2.gz OVHIVNRVWDMIQI-UHFFFAOYSA-N 1 2 335.455 3.804 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C ZINC000191788530 1140485522 /nfs/dbraw/zinc/48/55/22/1140485522.db2.gz OGMCJFZESSEXRR-OCCSQVGLSA-N 1 2 348.443 3.580 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C ZINC000191788530 1140485528 /nfs/dbraw/zinc/48/55/28/1140485528.db2.gz OGMCJFZESSEXRR-OCCSQVGLSA-N 1 2 348.443 3.580 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192047205 1140499329 /nfs/dbraw/zinc/49/93/29/1140499329.db2.gz NVNYRJNEEBWXOZ-PBHICJAKSA-N 1 2 335.835 3.541 20 0 EHADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000192065006 1140500887 /nfs/dbraw/zinc/50/08/87/1140500887.db2.gz GIELVDSQFDIKJA-NZVBXONLSA-N 1 2 333.819 3.781 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccccc1C ZINC000192252097 1140514912 /nfs/dbraw/zinc/51/49/12/1140514912.db2.gz HDWDMTDJZKEULB-QGZVFWFLSA-N 1 2 342.487 3.937 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000192254716 1140515556 /nfs/dbraw/zinc/51/55/56/1140515556.db2.gz BURUWQALISCHEM-HNNXBMFYSA-N 1 2 331.435 3.627 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC000192256657 1140515734 /nfs/dbraw/zinc/51/57/34/1140515734.db2.gz NULJBHSFIMVJKG-INIZCTEOSA-N 1 2 345.462 3.702 20 0 EHADLO Cc1cc([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000194170327 1140600335 /nfs/dbraw/zinc/60/03/35/1140600335.db2.gz LQYFZHFEJDMPPS-YZGWKJHDSA-N 1 2 342.483 3.591 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NC4CCCC4)cc3)n2c1 ZINC000195102473 1140630805 /nfs/dbraw/zinc/63/08/05/1140630805.db2.gz FKTKAWIDBBBLSY-UHFFFAOYSA-N 1 2 348.450 3.927 20 0 EHADLO COCc1nc(C[NH2+]Cc2ccccc2OC2CCCC2)cs1 ZINC000266219739 1140656418 /nfs/dbraw/zinc/65/64/18/1140656418.db2.gz RBCSXPQBNQTSJO-UHFFFAOYSA-N 1 2 332.469 3.901 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266495713 1140694634 /nfs/dbraw/zinc/69/46/34/1140694634.db2.gz RFMFLLIUADDJIG-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO Fc1ccc([C@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000268024025 1140870275 /nfs/dbraw/zinc/87/02/75/1140870275.db2.gz KERBIFUYEIOKQR-ZDUSSCGKSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1ccc([C@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000268024025 1140870286 /nfs/dbraw/zinc/87/02/86/1140870286.db2.gz KERBIFUYEIOKQR-ZDUSSCGKSA-N 1 2 327.325 3.574 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)cc1 ZINC000268206226 1140902862 /nfs/dbraw/zinc/90/28/62/1140902862.db2.gz JWVZYNBEQYZTFW-KRWDZBQOSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)cc1 ZINC000268247793 1140908811 /nfs/dbraw/zinc/90/88/11/1140908811.db2.gz PZOBELBDRNXLBY-UHFFFAOYSA-N 1 2 346.434 3.800 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1Cl ZINC000268250745 1140910384 /nfs/dbraw/zinc/91/03/84/1140910384.db2.gz ZKRVWNSCGRUTDN-UHFFFAOYSA-N 1 2 325.865 3.787 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268355723 1140926271 /nfs/dbraw/zinc/92/62/71/1140926271.db2.gz RTMWJSRFHVSBLQ-LMMKCTJWSA-N 1 2 340.471 3.669 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000268361070 1140927330 /nfs/dbraw/zinc/92/73/30/1140927330.db2.gz GZUXCWSTDPUFGC-JKSUJKDBSA-N 1 2 347.459 3.874 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000268361070 1140927341 /nfs/dbraw/zinc/92/73/41/1140927341.db2.gz GZUXCWSTDPUFGC-JKSUJKDBSA-N 1 2 347.459 3.874 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CCO2)c1 ZINC000268439216 1140938873 /nfs/dbraw/zinc/93/88/73/1140938873.db2.gz GPKGTWCJBIGZBU-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CCO2)c1 ZINC000268439216 1140938880 /nfs/dbraw/zinc/93/88/80/1140938880.db2.gz GPKGTWCJBIGZBU-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO COc1ccsc1C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000268767965 1140987043 /nfs/dbraw/zinc/98/70/43/1140987043.db2.gz CPBCNUMCSYDSKY-NSHDSACASA-N 1 2 345.424 3.666 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268855133 1141009176 /nfs/dbraw/zinc/00/91/76/1141009176.db2.gz QNMGQBDUJOGVEF-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000268855133 1141009180 /nfs/dbraw/zinc/00/91/80/1141009180.db2.gz QNMGQBDUJOGVEF-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Cc1ccc(C)c(OCCCCC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000268975471 1141038262 /nfs/dbraw/zinc/03/82/62/1141038262.db2.gz GLZJBHPSSMWOEL-UHFFFAOYSA-N 1 2 343.471 3.598 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000269034910 1141052141 /nfs/dbraw/zinc/05/21/41/1141052141.db2.gz FIRVUAIXDIHTKF-QWHCGFSZSA-N 1 2 348.468 3.863 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000269034907 1141052212 /nfs/dbraw/zinc/05/22/12/1141052212.db2.gz FIRVUAIXDIHTKF-OLZOCXBDSA-N 1 2 348.468 3.863 20 0 EHADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[S@@](=O)Cc1c[nH+]cn1C ZINC000269709822 1141137616 /nfs/dbraw/zinc/13/76/16/1141137616.db2.gz PMDKLGQRLJAUTA-BGJPBQGDSA-N 1 2 349.843 3.738 20 0 EHADLO CC1(C)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270371957 1141213482 /nfs/dbraw/zinc/21/34/82/1141213482.db2.gz UAZBMQPOUXDXLN-UHFFFAOYSA-N 1 2 336.439 3.866 20 0 EHADLO CC1=C(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCO1 ZINC000270439336 1141223735 /nfs/dbraw/zinc/22/37/35/1141223735.db2.gz JMFNVBUTDOBICP-UHFFFAOYSA-N 1 2 335.407 3.625 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734702 1141264129 /nfs/dbraw/zinc/26/41/29/1141264129.db2.gz VOODRUXOQMBAFV-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000270734702 1141264132 /nfs/dbraw/zinc/26/41/32/1141264132.db2.gz VOODRUXOQMBAFV-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1F ZINC000270740247 1141264952 /nfs/dbraw/zinc/26/49/52/1141264952.db2.gz XFSIINLLPUKHKQ-WMZOPIPTSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1F ZINC000270740247 1141264955 /nfs/dbraw/zinc/26/49/55/1141264955.db2.gz XFSIINLLPUKHKQ-WMZOPIPTSA-N 1 2 348.368 3.588 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccc(Cl)cc3n2C)ccc1O ZINC000271019901 1141295632 /nfs/dbraw/zinc/29/56/32/1141295632.db2.gz APSJKKNTTAENKX-UHFFFAOYSA-N 1 2 345.830 3.573 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)ccc1O ZINC000271019901 1141295634 /nfs/dbraw/zinc/29/56/34/1141295634.db2.gz APSJKKNTTAENKX-UHFFFAOYSA-N 1 2 345.830 3.573 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271045246 1141299359 /nfs/dbraw/zinc/29/93/59/1141299359.db2.gz QIKUOXJXYRPAOK-SFHVURJKSA-N 1 2 343.496 3.625 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000271193507 1141322682 /nfs/dbraw/zinc/32/26/82/1141322682.db2.gz NUJBDABNOMURFD-MRXNPFEDSA-N 1 2 333.501 3.890 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000271193507 1141322685 /nfs/dbraw/zinc/32/26/85/1141322685.db2.gz NUJBDABNOMURFD-MRXNPFEDSA-N 1 2 333.501 3.890 20 0 EHADLO CCOc1c(OC)cc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000271199208 1141323210 /nfs/dbraw/zinc/32/32/10/1141323210.db2.gz OZORTXRSKGUKCE-UHFFFAOYSA-N 1 2 345.361 3.797 20 0 EHADLO CCOc1c(OC)cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000271199208 1141323216 /nfs/dbraw/zinc/32/32/16/1141323216.db2.gz OZORTXRSKGUKCE-UHFFFAOYSA-N 1 2 345.361 3.797 20 0 EHADLO CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271325512 1141345494 /nfs/dbraw/zinc/34/54/94/1141345494.db2.gz PVIVVCPXUNYEFY-IBGZPJMESA-N 1 2 334.423 3.737 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)cs1 ZINC000271529502 1141388947 /nfs/dbraw/zinc/38/89/47/1141388947.db2.gz NXCIEJZAFHJSKH-ZDUSSCGKSA-N 1 2 342.468 3.541 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1OC(F)F ZINC000271562813 1141398877 /nfs/dbraw/zinc/39/88/77/1141398877.db2.gz XBNRWSHMNFXIHD-ZANVPECISA-N 1 2 325.334 3.878 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1OC(F)F ZINC000271562813 1141398883 /nfs/dbraw/zinc/39/88/83/1141398883.db2.gz XBNRWSHMNFXIHD-ZANVPECISA-N 1 2 325.334 3.878 20 0 EHADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3Cl)CC2)n[nH]1 ZINC000271651942 1141413060 /nfs/dbraw/zinc/41/30/60/1141413060.db2.gz VFWIGWXNBVCOJZ-CYBMUJFWSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3Cl)CC2)[nH]n1 ZINC000271651942 1141413063 /nfs/dbraw/zinc/41/30/63/1141413063.db2.gz VFWIGWXNBVCOJZ-CYBMUJFWSA-N 1 2 346.862 3.578 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000271681628 1141418249 /nfs/dbraw/zinc/41/82/49/1141418249.db2.gz ILOKGYLVTABBMA-ZDUSSCGKSA-N 1 2 330.457 3.852 20 0 EHADLO c1cn(Cc2cccc(-c3noc([C@@H]4CCCCS4)n3)c2)c[nH+]1 ZINC000273809308 1141424496 /nfs/dbraw/zinc/42/44/96/1141424496.db2.gz VUBQTXJHQTWOQR-HNNXBMFYSA-N 1 2 326.425 3.940 20 0 EHADLO Cc1cn2cc(NC(=O)COc3ccccc3C(F)(F)F)ccc2[nH+]1 ZINC000339130054 1141505205 /nfs/dbraw/zinc/50/52/05/1141505205.db2.gz PUDINAZOLMAYQT-UHFFFAOYSA-N 1 2 349.312 3.679 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)CCc1c[nH+]cn1C ZINC000339162437 1141514608 /nfs/dbraw/zinc/51/46/08/1141514608.db2.gz CVRITMOWXQVMAM-UHFFFAOYSA-N 1 2 329.444 3.615 20 0 EHADLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175649 1141518056 /nfs/dbraw/zinc/51/80/56/1141518056.db2.gz XBBYFAJGUCCYFJ-ZDUSSCGKSA-N 1 2 338.274 3.946 20 0 EHADLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175649 1141518059 /nfs/dbraw/zinc/51/80/59/1141518059.db2.gz XBBYFAJGUCCYFJ-ZDUSSCGKSA-N 1 2 338.274 3.946 20 0 EHADLO CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000274416585 1141522236 /nfs/dbraw/zinc/52/22/36/1141522236.db2.gz KEDPMJGTMQJANT-UGAXZCSASA-N 1 2 339.439 3.536 20 0 EHADLO O=C(Nc1nc(C2CCC2)cs1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283080090 1141549253 /nfs/dbraw/zinc/54/92/53/1141549253.db2.gz ULSJCBKTVDRJFH-UHFFFAOYSA-N 1 2 331.445 3.545 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1F ZINC000348542625 1141549430 /nfs/dbraw/zinc/54/94/30/1141549430.db2.gz DEZIBZZNXFWODU-FUHWJXTLSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1F ZINC000348542625 1141549435 /nfs/dbraw/zinc/54/94/35/1141549435.db2.gz DEZIBZZNXFWODU-FUHWJXTLSA-N 1 2 349.377 3.605 20 0 EHADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000348847340 1141595436 /nfs/dbraw/zinc/59/54/36/1141595436.db2.gz JLXDMJMAWYEKJV-MRXNPFEDSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000348847340 1141595438 /nfs/dbraw/zinc/59/54/38/1141595438.db2.gz JLXDMJMAWYEKJV-MRXNPFEDSA-N 1 2 327.428 3.819 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1scnc1C ZINC000066565804 215054954 /nfs/dbraw/zinc/05/49/54/215054954.db2.gz VHHAIKNZEFUGLT-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1scnc1C ZINC000066565804 215054957 /nfs/dbraw/zinc/05/49/57/215054957.db2.gz VHHAIKNZEFUGLT-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO CN(C)C[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000020129438 212103990 /nfs/dbraw/zinc/10/39/90/212103990.db2.gz ONWLXOSJZFYPJQ-QGZVFWFLSA-N 1 2 333.273 3.842 20 0 EHADLO Cc1cccc(O[C@H](C)C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000605445401 479647033 /nfs/dbraw/zinc/64/70/33/479647033.db2.gz JJTPRRWODRVUMJ-MRXNPFEDSA-N 1 2 349.434 3.539 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000041904615 526464021 /nfs/dbraw/zinc/46/40/21/526464021.db2.gz ZERDMTOPLJIURN-UHFFFAOYSA-N 1 2 340.427 3.585 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1Cl ZINC000820432239 599392898 /nfs/dbraw/zinc/39/28/98/599392898.db2.gz NILMMBHRSKZSHC-MRVPVSSYSA-N 1 2 338.198 3.617 20 0 EHADLO O=C([O-])Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000834263229 605592295 /nfs/dbraw/zinc/59/22/95/605592295.db2.gz RJVHDUCDLRDDBM-LJQANCHMSA-N 1 2 348.406 3.739 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824606552 609332157 /nfs/dbraw/zinc/33/21/57/609332157.db2.gz QAGUSUABLFBGFV-SECBINFHSA-N 1 2 349.772 3.649 20 0 EHADLO O=C([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC001595232077 949353859 /nfs/dbraw/zinc/35/38/59/949353859.db2.gz FKFIKZNQMFXVOQ-PMACEKPBSA-N 1 2 347.418 3.600 20 0 EHADLO Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc(C(C)C)[nH+]1 ZINC000413533557 1032065026 /nfs/dbraw/zinc/06/50/26/1032065026.db2.gz OLUPEUGGFJHLLO-FQEVSTJZSA-N 1 2 337.423 3.523 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153354718 1125475503 /nfs/dbraw/zinc/47/55/03/1125475503.db2.gz KDFDFUIRKKJBJM-INIZCTEOSA-N 1 2 332.492 3.517 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000550422085 1024112795 /nfs/dbraw/zinc/11/27/95/1024112795.db2.gz UBTKQIUGOLTFJQ-JQWIXIFHSA-N 1 2 341.274 3.598 20 0 EHADLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2ccc(F)c(F)c2n1 ZINC000683077768 1014183375 /nfs/dbraw/zinc/18/33/75/1014183375.db2.gz HDUMUIARNHVXIP-ZDUSSCGKSA-N 1 2 328.366 3.859 20 0 EHADLO CCCCCCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000728183259 1014226621 /nfs/dbraw/zinc/22/66/21/1014226621.db2.gz HUNZZXNMPMRTPB-IBGZPJMESA-N 1 2 346.515 3.706 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000536666411 1032087462 /nfs/dbraw/zinc/08/74/62/1032087462.db2.gz LOTNBQKRMXTMQH-BZNIZROVSA-N 1 2 327.346 3.606 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000536666411 1032087478 /nfs/dbraw/zinc/08/74/78/1032087478.db2.gz LOTNBQKRMXTMQH-BZNIZROVSA-N 1 2 327.346 3.606 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000536667358 1032088277 /nfs/dbraw/zinc/08/82/77/1032088277.db2.gz ZNBDLBXQAKGMDV-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000536667358 1032088295 /nfs/dbraw/zinc/08/82/95/1032088295.db2.gz ZNBDLBXQAKGMDV-GOSISDBHSA-N 1 2 330.497 3.929 20 0 EHADLO COCC1=CC[N@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459414946 1032090185 /nfs/dbraw/zinc/09/01/85/1032090185.db2.gz WDFNKLJGGKSZGL-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459414946 1032090204 /nfs/dbraw/zinc/09/02/04/1032090204.db2.gz WDFNKLJGGKSZGL-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO CC1(C)Oc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2O1 ZINC000339358063 1014277190 /nfs/dbraw/zinc/27/71/90/1014277190.db2.gz AIMIDSDVAIODFR-UHFFFAOYSA-N 1 2 349.390 3.691 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)c1nncn1C ZINC000459417349 1032091258 /nfs/dbraw/zinc/09/12/58/1032091258.db2.gz YSUVOWOMFUOQNL-HNNXBMFYSA-N 1 2 336.439 3.650 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(c3nnc(C)o3)CC2)c1Cl ZINC001143372365 1014508963 /nfs/dbraw/zinc/50/89/63/1014508963.db2.gz FFKGQVFEAYMYPY-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccno1 ZINC000231884288 1014517841 /nfs/dbraw/zinc/51/78/41/1014517841.db2.gz WIRKUSDZUROFQA-UHFFFAOYSA-N 1 2 325.206 3.516 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339469451 1014532539 /nfs/dbraw/zinc/53/25/39/1014532539.db2.gz KLHPXLIAVIUFAF-CHWSQXEVSA-N 1 2 349.887 3.570 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000339472438 1014539232 /nfs/dbraw/zinc/53/92/32/1014539232.db2.gz YMOLBQWKMSGEOB-NSISKUIASA-N 1 2 345.446 3.693 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339476215 1014549718 /nfs/dbraw/zinc/54/97/18/1014549718.db2.gz LTIQAOPCOKIZMR-CHWSQXEVSA-N 1 2 349.887 3.570 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccns1 ZINC000858578299 1014607989 /nfs/dbraw/zinc/60/79/89/1014607989.db2.gz UGWQACJNNIRTDQ-YUMQZZPRSA-N 1 2 330.226 3.852 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000530468813 1014631492 /nfs/dbraw/zinc/63/14/92/1014631492.db2.gz XTQBUUPBAYBCPV-MRXNPFEDSA-N 1 2 349.434 3.533 20 0 EHADLO CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001595281873 980338840 /nfs/dbraw/zinc/33/88/40/980338840.db2.gz UGPZNVPVEGEBMN-IAGOWNOFSA-N 1 2 329.444 3.737 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccc(F)c2F)CCCC1 ZINC000683178627 1014770235 /nfs/dbraw/zinc/77/02/35/1014770235.db2.gz VECBXJXDLWPRNF-UHFFFAOYSA-N 1 2 347.409 3.570 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000650106697 1014829477 /nfs/dbraw/zinc/82/94/77/1014829477.db2.gz UYJIVTNXJSICOC-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1C[N@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000650106697 1014829492 /nfs/dbraw/zinc/82/94/92/1014829492.db2.gz UYJIVTNXJSICOC-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@H]3CCc4c3cccc4F)[nH]2)cc1 ZINC000538017716 1032104408 /nfs/dbraw/zinc/10/44/08/1032104408.db2.gz IABQFZLCXUQXBJ-INIZCTEOSA-N 1 2 326.350 3.527 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C2CC2)c(C)c1 ZINC000579821198 1014983627 /nfs/dbraw/zinc/98/36/27/1014983627.db2.gz ZCRAGXIFGYDLAV-QFBILLFUSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H](C)[C@@H]3C)cs2)c1 ZINC000339566297 1015021621 /nfs/dbraw/zinc/02/16/21/1015021621.db2.gz HNGHHNWVKOBXIC-CABCVRRESA-N 1 2 343.496 3.781 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C)[C@@H]3C)cs2)c1 ZINC000339566297 1015021628 /nfs/dbraw/zinc/02/16/28/1015021628.db2.gz HNGHHNWVKOBXIC-CABCVRRESA-N 1 2 343.496 3.781 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3CF)CC2)cc1F ZINC001167069493 1015024800 /nfs/dbraw/zinc/02/48/00/1015024800.db2.gz BRQXUCSQOTXHGB-UHFFFAOYSA-N 1 2 344.405 3.562 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000153438991 1125490511 /nfs/dbraw/zinc/49/05/11/1125490511.db2.gz DZRXANCJJSLNEE-HUUCEWRRSA-N 1 2 342.439 3.758 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)Cc1cnnn1Cc1ccccc1 ZINC000430231358 1015132489 /nfs/dbraw/zinc/13/24/89/1015132489.db2.gz BZHCOPRDSLBCAO-UHFFFAOYSA-N 1 2 332.407 3.705 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)Cc1cnnn1Cc1ccccc1 ZINC000430231358 1015132493 /nfs/dbraw/zinc/13/24/93/1015132493.db2.gz BZHCOPRDSLBCAO-UHFFFAOYSA-N 1 2 332.407 3.705 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000655165048 1015190485 /nfs/dbraw/zinc/19/04/85/1015190485.db2.gz WQIFSEUMLXBGRY-LIRRHRJNSA-N 1 2 345.874 3.866 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000655165048 1015190491 /nfs/dbraw/zinc/19/04/91/1015190491.db2.gz WQIFSEUMLXBGRY-LIRRHRJNSA-N 1 2 345.874 3.866 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccnc(SC)c1 ZINC000683233379 1015198552 /nfs/dbraw/zinc/19/85/52/1015198552.db2.gz KUPXVAONTBGOIK-UHFFFAOYSA-N 1 2 347.488 3.507 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1C ZINC001625806074 1015246424 /nfs/dbraw/zinc/24/64/24/1015246424.db2.gz YYJMICGAWVQEFS-QGOAFFKASA-N 1 2 345.446 3.960 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655229104 1015248509 /nfs/dbraw/zinc/24/85/09/1015248509.db2.gz GGBHLNVUTQSMTD-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO Cc1nn(C(C)C)cc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000579854807 1015293292 /nfs/dbraw/zinc/29/32/92/1015293292.db2.gz LZXWSLFMASSLJJ-UHFFFAOYSA-N 1 2 337.427 3.639 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579856466 1015304352 /nfs/dbraw/zinc/30/43/52/1015304352.db2.gz MPVGMYPJFLJSSZ-GFCCVEGCSA-N 1 2 337.826 3.820 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579856466 1015304356 /nfs/dbraw/zinc/30/43/56/1015304356.db2.gz MPVGMYPJFLJSSZ-GFCCVEGCSA-N 1 2 337.826 3.820 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H](C2CCC2)C1 ZINC000620205325 1125500665 /nfs/dbraw/zinc/50/06/65/1125500665.db2.gz ZHNJKSDPNBOYEC-OALUTQOASA-N 1 2 337.467 3.970 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2ccccn2)cn1 ZINC000430255804 1015406787 /nfs/dbraw/zinc/40/67/87/1015406787.db2.gz WZFZSSKQOVASMV-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccccn2)cn1 ZINC000430255804 1015406793 /nfs/dbraw/zinc/40/67/93/1015406793.db2.gz WZFZSSKQOVASMV-UHFFFAOYSA-N 1 2 326.831 3.671 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000339624756 1015406142 /nfs/dbraw/zinc/40/61/42/1015406142.db2.gz OCILHULMNBCLQX-HOCLYGCPSA-N 1 2 346.862 3.724 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2ccncc2Br)cc1 ZINC000625055321 1015449288 /nfs/dbraw/zinc/44/92/88/1015449288.db2.gz GPUWWHXMNZBPQU-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2ccncc2Br)cc1 ZINC000625055321 1015449298 /nfs/dbraw/zinc/44/92/98/1015449298.db2.gz GPUWWHXMNZBPQU-UHFFFAOYSA-N 1 2 335.245 3.663 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)cc1 ZINC000339656847 1015472210 /nfs/dbraw/zinc/47/22/10/1015472210.db2.gz IJMLECKBQGERCK-AWEZNQCLSA-N 1 2 345.786 3.636 20 0 EHADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)cc1 ZINC000339656847 1015472220 /nfs/dbraw/zinc/47/22/20/1015472220.db2.gz IJMLECKBQGERCK-AWEZNQCLSA-N 1 2 345.786 3.636 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)COC2 ZINC000274963213 1015681198 /nfs/dbraw/zinc/68/11/98/1015681198.db2.gz GWSNZTYLGSIWBK-ZDUSSCGKSA-N 1 2 330.428 3.871 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)C2CC2)CC1 ZINC000339827492 1015715410 /nfs/dbraw/zinc/71/54/10/1015715410.db2.gz RWTJCXFRVJLXDP-UHFFFAOYSA-N 1 2 344.421 3.751 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)C2CC2)CC1 ZINC000339827492 1015715414 /nfs/dbraw/zinc/71/54/14/1015715414.db2.gz RWTJCXFRVJLXDP-UHFFFAOYSA-N 1 2 344.421 3.751 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000154823708 1015821280 /nfs/dbraw/zinc/82/12/80/1015821280.db2.gz WFCPVSQCBZLNFF-WOJBJXKFSA-N 1 2 333.435 3.689 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000016343561 1015917503 /nfs/dbraw/zinc/91/75/03/1015917503.db2.gz GEGWQCJFWJMSFT-SNVBAGLBSA-N 1 2 328.890 3.600 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000016343561 1015917512 /nfs/dbraw/zinc/91/75/12/1015917512.db2.gz GEGWQCJFWJMSFT-SNVBAGLBSA-N 1 2 328.890 3.600 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000180483793 1015957186 /nfs/dbraw/zinc/95/71/86/1015957186.db2.gz PDCNXBONMGTJOV-AWEZNQCLSA-N 1 2 339.361 3.969 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000180806190 1016042067 /nfs/dbraw/zinc/04/20/67/1016042067.db2.gz NTPPZQSRIRGSEA-MJGOQNOKSA-N 1 2 341.455 3.586 20 0 EHADLO COc1cccc2c(N3CCC(n4cc[nH+]c4)CC3)cc(Cl)nc12 ZINC001167126578 1016211263 /nfs/dbraw/zinc/21/12/63/1016211263.db2.gz BMHHMZRXJIOBEB-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO Cc1nc(N2CCO[C@](C)(c3ccc(F)cc3)C2)cc(C(C)C)[nH+]1 ZINC001167137462 1016266982 /nfs/dbraw/zinc/26/69/82/1016266982.db2.gz OQYJAIYZMGJFEH-IBGZPJMESA-N 1 2 329.419 3.800 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+]Cc1csc(Cl)c1Cl ZINC000683341275 1016268742 /nfs/dbraw/zinc/26/87/42/1016268742.db2.gz KASXQYPTNMMYJK-NSHDSACASA-N 1 2 332.252 3.887 20 0 EHADLO Cc1cc(N2CCO[C@](C)(c3ccc(F)cc3)C2)nc(C(C)(C)C)[nH+]1 ZINC001167141442 1016290590 /nfs/dbraw/zinc/29/05/90/1016290590.db2.gz SQGNQLVFWBVNBL-FQEVSTJZSA-N 1 2 343.446 3.974 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccoc3)n2)C1 ZINC000177613543 1016398362 /nfs/dbraw/zinc/39/83/62/1016398362.db2.gz ZKHIFTFQCVSNEQ-CYBMUJFWSA-N 1 2 333.457 3.539 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccoc3)n2)C1 ZINC000177613543 1016398375 /nfs/dbraw/zinc/39/83/75/1016398375.db2.gz ZKHIFTFQCVSNEQ-CYBMUJFWSA-N 1 2 333.457 3.539 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1Cl ZINC000683392845 1016596313 /nfs/dbraw/zinc/59/63/13/1016596313.db2.gz SYOOSSJIUWLETQ-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1Cl ZINC000683392845 1016596324 /nfs/dbraw/zinc/59/63/24/1016596324.db2.gz SYOOSSJIUWLETQ-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)[C@@H](C)c3ccc(F)cc3)nc(N)c2c1C ZINC000178392550 1016634495 /nfs/dbraw/zinc/63/44/95/1016634495.db2.gz BBLVKUXCFSQIND-NSHDSACASA-N 1 2 328.391 3.754 20 0 EHADLO Cc1oc2nc(C[N@H+](C)[C@@H](C)c3ccc(F)cc3)nc(N)c2c1C ZINC000178392550 1016634504 /nfs/dbraw/zinc/63/45/04/1016634504.db2.gz BBLVKUXCFSQIND-NSHDSACASA-N 1 2 328.391 3.754 20 0 EHADLO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cscn1 ZINC000108941677 1016642694 /nfs/dbraw/zinc/64/26/94/1016642694.db2.gz NUAVRRSPBBYNJZ-CYBMUJFWSA-N 1 2 339.258 3.909 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000340197081 1016678095 /nfs/dbraw/zinc/67/80/95/1016678095.db2.gz JWVHEBIUNDEPCP-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000668412823 1032150001 /nfs/dbraw/zinc/15/00/01/1032150001.db2.gz RXLWSEBEDIKKTK-MRVWCRGKSA-N 1 2 325.437 3.616 20 0 EHADLO CC(C)n1cnc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000647653964 1016768736 /nfs/dbraw/zinc/76/87/36/1016768736.db2.gz XGALYTNVQQHCOD-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO Cc1cnccc1C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000648359300 1016769102 /nfs/dbraw/zinc/76/91/02/1016769102.db2.gz VIKZNRUSGJSQGK-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(C(=O)OC)cc1 ZINC000340252029 1016803487 /nfs/dbraw/zinc/80/34/87/1016803487.db2.gz FERMFZXTBYOJEG-CQSZACIVSA-N 1 2 333.457 3.689 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@H](c3nnc[nH]3)c3ccc(F)cc3)c[nH]c21 ZINC000340261098 1016811355 /nfs/dbraw/zinc/81/13/55/1016811355.db2.gz VDHJYOKQVACKII-IBGZPJMESA-N 1 2 349.413 3.655 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc2ccccc21 ZINC000890793144 1016875626 /nfs/dbraw/zinc/87/56/26/1016875626.db2.gz FXJPBXDOZFQDSS-KGLIPLIRSA-N 1 2 337.423 3.628 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc2ccccc21 ZINC000890793144 1016875634 /nfs/dbraw/zinc/87/56/34/1016875634.db2.gz FXJPBXDOZFQDSS-KGLIPLIRSA-N 1 2 337.423 3.628 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)s1 ZINC000547833436 1017004263 /nfs/dbraw/zinc/00/42/63/1017004263.db2.gz HGOLGUIFMUUKDA-LBPRGKRZSA-N 1 2 332.860 3.811 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)s1 ZINC000547833436 1017004276 /nfs/dbraw/zinc/00/42/76/1017004276.db2.gz HGOLGUIFMUUKDA-LBPRGKRZSA-N 1 2 332.860 3.811 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCOc2ccc(F)cc2F)c2ncc[nH]2)cc1 ZINC000188109352 1017020359 /nfs/dbraw/zinc/02/03/59/1017020359.db2.gz KCRAPVSGVQFUJY-KRWDZBQOSA-N 1 2 347.340 3.585 20 0 EHADLO c1oc(-c2ccccc2)nc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000120953103 1017043125 /nfs/dbraw/zinc/04/31/25/1017043125.db2.gz OXHVTXZVYPJCPF-UHFFFAOYSA-N 1 2 349.434 3.786 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000340370672 1017056547 /nfs/dbraw/zinc/05/65/47/1017056547.db2.gz NIKAKCPLHZJNPE-SSDMNJCBSA-N 1 2 334.489 3.529 20 0 EHADLO CC[C@H]1C[N@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@@H]1c1ccccc1 ZINC000528391443 1032215338 /nfs/dbraw/zinc/21/53/38/1032215338.db2.gz AFUWCWSAMXPJPM-WMZOPIPTSA-N 1 2 347.480 3.699 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@@H]1c1ccccc1 ZINC000528391443 1032215350 /nfs/dbraw/zinc/21/53/50/1032215350.db2.gz AFUWCWSAMXPJPM-WMZOPIPTSA-N 1 2 347.480 3.699 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccccc2C2(C)CC2)n1 ZINC000904741707 1032228185 /nfs/dbraw/zinc/22/81/85/1032228185.db2.gz MUVIHSVJFPAHBE-AWEZNQCLSA-N 1 2 343.427 3.520 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176829747 1032229033 /nfs/dbraw/zinc/22/90/33/1032229033.db2.gz HKPAQYRSYNBGFY-CYBMUJFWSA-N 1 2 343.500 3.889 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1(C)CC1 ZINC000176829747 1032229050 /nfs/dbraw/zinc/22/90/50/1032229050.db2.gz HKPAQYRSYNBGFY-CYBMUJFWSA-N 1 2 343.500 3.889 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc(Cl)c1O ZINC000459522504 1032243913 /nfs/dbraw/zinc/24/39/13/1032243913.db2.gz GJMTUTRECPFNQO-UHFFFAOYSA-N 1 2 349.862 3.990 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc(Cl)c1O ZINC000459522504 1032243923 /nfs/dbraw/zinc/24/39/23/1032243923.db2.gz GJMTUTRECPFNQO-UHFFFAOYSA-N 1 2 349.862 3.990 20 0 EHADLO c1csc([C@@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C2CC2)c1 ZINC000538260319 1032244594 /nfs/dbraw/zinc/24/45/94/1032244594.db2.gz AOVFKXLRJHDMGE-SFHVURJKSA-N 1 2 325.437 3.963 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459532185 1032252227 /nfs/dbraw/zinc/25/22/27/1032252227.db2.gz OLWQTZXGMDQGBD-IBGZPJMESA-N 1 2 343.471 3.652 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528426151 1032280689 /nfs/dbraw/zinc/28/06/89/1032280689.db2.gz YZIRRTWTAKIPET-LJQANCHMSA-N 1 2 339.414 3.542 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(CO)ccc1F ZINC000528426151 1032280694 /nfs/dbraw/zinc/28/06/94/1032280694.db2.gz YZIRRTWTAKIPET-LJQANCHMSA-N 1 2 339.414 3.542 20 0 EHADLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000081301624 1032292952 /nfs/dbraw/zinc/29/29/52/1032292952.db2.gz XXCAUMIEECDDKP-QAPCUYQASA-N 1 2 327.428 3.617 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184868906 1032327608 /nfs/dbraw/zinc/32/76/08/1032327608.db2.gz QHNKTKYTSZBABD-OAHLLOKOSA-N 1 2 335.407 3.655 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CC(C)(CO)C2)c(-c2ccccc2Cl)n1 ZINC000459625156 1032338556 /nfs/dbraw/zinc/33/85/56/1032338556.db2.gz XBUIKAQVLHDDAL-UHFFFAOYSA-N 1 2 347.890 3.773 20 0 EHADLO Cn1cc(-c2cc(C[N@H+](Cc3ccco3)Cc3ccccc3)on2)cn1 ZINC000184978707 1032348632 /nfs/dbraw/zinc/34/86/32/1032348632.db2.gz LPIFAEGWPOYVOV-UHFFFAOYSA-N 1 2 348.406 3.871 20 0 EHADLO Cn1cc(-c2cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)on2)cn1 ZINC000184978707 1032348641 /nfs/dbraw/zinc/34/86/41/1032348641.db2.gz LPIFAEGWPOYVOV-UHFFFAOYSA-N 1 2 348.406 3.871 20 0 EHADLO Cc1nn2c(C[NH2+]C(C)(C)c3nccs3)c(C(C)C)nc2s1 ZINC000538408131 1032352014 /nfs/dbraw/zinc/35/20/14/1032352014.db2.gz QYHSMCZFOUZPAF-UHFFFAOYSA-N 1 2 335.502 3.704 20 0 EHADLO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799101 1032367589 /nfs/dbraw/zinc/36/75/89/1032367589.db2.gz ZOGWWMZQALRFEA-FUHWJXTLSA-N 1 2 343.471 3.616 20 0 EHADLO COc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000185229292 1032369450 /nfs/dbraw/zinc/36/94/50/1032369450.db2.gz HVLQKDWBFWWAHS-AWEZNQCLSA-N 1 2 345.468 3.667 20 0 EHADLO COc1cc2c(c(C[NH2+][C@H](C)c3nc4c(s3)CCC4)c1)O[C@H](C)C2 ZINC000459654757 1032377636 /nfs/dbraw/zinc/37/76/36/1032377636.db2.gz UEQHWYDASUCAKQ-VXGBXAGGSA-N 1 2 344.480 3.815 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000118776631 1032379057 /nfs/dbraw/zinc/37/90/57/1032379057.db2.gz MTHGRLYMXWKRRN-UHFFFAOYSA-N 1 2 349.434 3.852 20 0 EHADLO CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCC2 ZINC000666132146 1032384712 /nfs/dbraw/zinc/38/47/12/1032384712.db2.gz RAWXYTCMZHVXMX-GJZGRUSLSA-N 1 2 342.443 3.582 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000185474436 1032402308 /nfs/dbraw/zinc/40/23/08/1032402308.db2.gz LAAWNDZMQPZWSQ-CQSZACIVSA-N 1 2 346.500 3.668 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000528506569 1032410108 /nfs/dbraw/zinc/41/01/08/1032410108.db2.gz FEEIQXDTWSPPMP-ZDUSSCGKSA-N 1 2 332.860 3.902 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000528506569 1032410118 /nfs/dbraw/zinc/41/01/18/1032410118.db2.gz FEEIQXDTWSPPMP-ZDUSSCGKSA-N 1 2 332.860 3.902 20 0 EHADLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000459705207 1032413196 /nfs/dbraw/zinc/41/31/96/1032413196.db2.gz HPLHAGJRIATQRX-CYBMUJFWSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000459705207 1032413203 /nfs/dbraw/zinc/41/32/03/1032413203.db2.gz HPLHAGJRIATQRX-CYBMUJFWSA-N 1 2 345.270 3.823 20 0 EHADLO COCCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000528575131 1032453930 /nfs/dbraw/zinc/45/39/30/1032453930.db2.gz VJDNUAVLGCXINJ-UHFFFAOYSA-N 1 2 342.270 3.890 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c(Br)c1 ZINC000459739086 1032454101 /nfs/dbraw/zinc/45/41/01/1032454101.db2.gz CZTQEXLFKQZUHP-QWRGUYRKSA-N 1 2 338.249 3.603 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449339868 1032455026 /nfs/dbraw/zinc/45/50/26/1032455026.db2.gz ZQWFEOWUVVWOJB-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449339868 1032455030 /nfs/dbraw/zinc/45/50/30/1032455030.db2.gz ZQWFEOWUVVWOJB-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO COCCC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000528576543 1032455314 /nfs/dbraw/zinc/45/53/14/1032455314.db2.gz VZKINSXIMQFTTI-GFCCVEGCSA-N 1 2 349.500 3.823 20 0 EHADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C(CF)CF)o1 ZINC000449372285 1032487675 /nfs/dbraw/zinc/48/76/75/1032487675.db2.gz FPVKUYAKTLHLJI-UHFFFAOYSA-N 1 2 331.366 3.838 20 0 EHADLO COc1cccc([C@@H](C)[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000528594300 1032499980 /nfs/dbraw/zinc/49/99/80/1032499980.db2.gz QHXHPOUHRGWYLS-CQSZACIVSA-N 1 2 325.456 3.902 20 0 EHADLO COc1cccc([C@@H](C)[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000528594300 1032499982 /nfs/dbraw/zinc/49/99/82/1032499982.db2.gz QHXHPOUHRGWYLS-CQSZACIVSA-N 1 2 325.456 3.902 20 0 EHADLO Cc1cccn2cc(COc3ccc(C[NH2+]C(CF)CF)cc3)nc12 ZINC000449380475 1032505983 /nfs/dbraw/zinc/50/59/83/1032505983.db2.gz NIRYSPCJAQCBPW-UHFFFAOYSA-N 1 2 345.393 3.619 20 0 EHADLO Cc1cc(Br)cn2c(C[NH+]3CCC(CF)CC3)cnc12 ZINC000449456240 1032574361 /nfs/dbraw/zinc/57/43/61/1032574361.db2.gz MDHPGVJZEBDMJL-UHFFFAOYSA-N 1 2 340.240 3.587 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000090112302 1032574515 /nfs/dbraw/zinc/57/45/15/1032574515.db2.gz BQYHDSJTGPLLSC-MRXNPFEDSA-N 1 2 344.503 3.926 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000090172506 1032577331 /nfs/dbraw/zinc/57/73/31/1032577331.db2.gz UMQXNCCNTWLJAF-CQSZACIVSA-N 1 2 340.258 3.946 20 0 EHADLO OCC[C@H]([NH2+]Cc1nccn1C(F)F)c1cccc(C(F)(F)F)c1 ZINC000449437951 1032582660 /nfs/dbraw/zinc/58/26/60/1032582660.db2.gz NWWHXQKBSHMPRV-LBPRGKRZSA-N 1 2 349.303 3.510 20 0 EHADLO CC(C)COc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000449472050 1032593100 /nfs/dbraw/zinc/59/31/00/1032593100.db2.gz OPHXDOIWEDVDKL-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO CC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1F ZINC000606235002 1032612103 /nfs/dbraw/zinc/61/21/03/1032612103.db2.gz IJJYTYLMUAJGFU-QGZVFWFLSA-N 1 2 343.377 3.731 20 0 EHADLO CC(C)c1cc(N[C@H](CO)C[C@@H](O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000761235064 1032621192 /nfs/dbraw/zinc/62/11/92/1032621192.db2.gz ONSYCVSFZVUSKL-FUHWJXTLSA-N 1 2 343.471 3.620 20 0 EHADLO COC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000584445840 1032651710 /nfs/dbraw/zinc/65/17/10/1032651710.db2.gz DOBCASRDJIAKKX-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000592983240 1032653979 /nfs/dbraw/zinc/65/39/79/1032653979.db2.gz MIRQWXARJHYHGA-UHFFFAOYSA-N 1 2 330.453 3.534 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000592983240 1032653991 /nfs/dbraw/zinc/65/39/91/1032653991.db2.gz MIRQWXARJHYHGA-UHFFFAOYSA-N 1 2 330.453 3.534 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)s1 ZINC000606368616 1032655643 /nfs/dbraw/zinc/65/56/43/1032655643.db2.gz IOCLSBXFGVWTLE-ZDUSSCGKSA-N 1 2 335.498 3.857 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)s1 ZINC000606368616 1032655654 /nfs/dbraw/zinc/65/56/54/1032655654.db2.gz IOCLSBXFGVWTLE-ZDUSSCGKSA-N 1 2 335.498 3.857 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3sccc3CC)CC2)s1 ZINC000606395008 1032669613 /nfs/dbraw/zinc/66/96/13/1032669613.db2.gz APYLFUAITVTHPP-UHFFFAOYSA-N 1 2 348.537 3.892 20 0 EHADLO CSc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000376830020 1017138199 /nfs/dbraw/zinc/13/81/99/1017138199.db2.gz XAVFNPABRALQTE-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CSc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000376830020 1017138212 /nfs/dbraw/zinc/13/82/12/1017138212.db2.gz XAVFNPABRALQTE-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000606437808 1032685346 /nfs/dbraw/zinc/68/53/46/1032685346.db2.gz AMECIPRMCSFFNC-HNNXBMFYSA-N 1 2 336.348 3.986 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000606437808 1032685354 /nfs/dbraw/zinc/68/53/54/1032685354.db2.gz AMECIPRMCSFFNC-HNNXBMFYSA-N 1 2 336.348 3.986 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450239 1032690258 /nfs/dbraw/zinc/69/02/58/1032690258.db2.gz SLRWAOOTWOWFDX-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450239 1032690264 /nfs/dbraw/zinc/69/02/64/1032690264.db2.gz SLRWAOOTWOWFDX-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001137572183 1017332602 /nfs/dbraw/zinc/33/26/02/1017332602.db2.gz ABBBFIBKSRYCJE-OAHLLOKOSA-N 1 2 349.883 3.733 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001137572183 1017332621 /nfs/dbraw/zinc/33/26/21/1017332621.db2.gz ABBBFIBKSRYCJE-OAHLLOKOSA-N 1 2 349.883 3.733 20 0 EHADLO CN(Cc1csc2ccccc12)C(=O)NCCCCn1cc[nH+]c1 ZINC000057374001 1017337117 /nfs/dbraw/zinc/33/71/17/1017337117.db2.gz SVKKMMOCSGMYLU-UHFFFAOYSA-N 1 2 342.468 3.720 20 0 EHADLO Cc1csc([C@@H]([NH2+]Cc2ccncc2Br)C2CC2)n1 ZINC000625300962 1017380207 /nfs/dbraw/zinc/38/02/07/1017380207.db2.gz JCSGKHJQDCZZGF-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1cccc(C)c1OCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091211897 1032700049 /nfs/dbraw/zinc/70/00/49/1032700049.db2.gz CNHVNSIYKQWBDH-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cccc(F)c1OC(F)F ZINC000659837385 1017450553 /nfs/dbraw/zinc/45/05/53/1017450553.db2.gz DLERBNVANIFDFO-UHFFFAOYSA-N 1 2 329.318 3.669 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cccc(F)c1OC(F)F ZINC000659837385 1017450565 /nfs/dbraw/zinc/45/05/65/1017450565.db2.gz DLERBNVANIFDFO-UHFFFAOYSA-N 1 2 329.318 3.669 20 0 EHADLO C[C@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000547949544 1017519398 /nfs/dbraw/zinc/51/93/98/1017519398.db2.gz DJBWTYJOCCMCEW-WMLDXEAASA-N 1 2 342.443 3.642 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CCc5ccccc5C4)n3)[nH+]c12 ZINC000574044936 1032705141 /nfs/dbraw/zinc/70/51/41/1032705141.db2.gz KYUFDKRJROSPOO-KRWDZBQOSA-N 1 2 344.418 3.889 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(c4cccc(N)c4)CC3)ccc2[nH+]1 ZINC000415102569 1017554045 /nfs/dbraw/zinc/55/40/45/1017554045.db2.gz CLTWMJWGVYNASG-UHFFFAOYSA-N 1 2 349.438 3.636 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc(Br)cc1F ZINC000655768183 1017554300 /nfs/dbraw/zinc/55/43/00/1017554300.db2.gz RMAWLZPPJHVLPF-HZMBPMFUSA-N 1 2 338.224 3.970 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077976079 1017622580 /nfs/dbraw/zinc/62/25/80/1017622580.db2.gz UVCBENBLDCEVLJ-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077976079 1017622588 /nfs/dbraw/zinc/62/25/88/1017622588.db2.gz UVCBENBLDCEVLJ-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO CC1(c2ccccc2)CCC([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)CC1 ZINC000655795025 1017628214 /nfs/dbraw/zinc/62/82/14/1017628214.db2.gz VGJFOORYKVYUES-GNZRSQJKSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1ncc(Br)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000449520474 1032714269 /nfs/dbraw/zinc/71/42/69/1032714269.db2.gz DXSROQQIQYLLQJ-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO Cc1ccc(-c2cccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)c2)cc1 ZINC000655817354 1017690789 /nfs/dbraw/zinc/69/07/89/1017690789.db2.gz GFLRJJICHSHAQP-LJQANCHMSA-N 1 2 348.450 3.921 20 0 EHADLO CSc1cc(C(=O)NCCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000155443555 1017705331 /nfs/dbraw/zinc/70/53/31/1017705331.db2.gz TUPHLNPQTNMEOK-UHFFFAOYSA-N 1 2 344.267 3.732 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000377375796 1017710701 /nfs/dbraw/zinc/71/07/01/1017710701.db2.gz WVWGXSULBPMORX-KRWDZBQOSA-N 1 2 343.477 3.571 20 0 EHADLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000340430207 1017758727 /nfs/dbraw/zinc/75/87/27/1017758727.db2.gz DCBQBGQVLUCBTO-QWRGUYRKSA-N 1 2 336.233 3.660 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000340428638 1017761235 /nfs/dbraw/zinc/76/12/35/1017761235.db2.gz XKFORSJTUPJKMF-IUCAKERBSA-N 1 2 342.187 3.929 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000377434060 1017801518 /nfs/dbraw/zinc/80/15/18/1017801518.db2.gz VOTOIYFRALOLJP-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000377434060 1017801537 /nfs/dbraw/zinc/80/15/37/1017801537.db2.gz VOTOIYFRALOLJP-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177624487 1017834665 /nfs/dbraw/zinc/83/46/65/1017834665.db2.gz QCXQDRWEZZTKMS-ZDUSSCGKSA-N 1 2 331.847 3.756 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177624487 1017834682 /nfs/dbraw/zinc/83/46/82/1017834682.db2.gz QCXQDRWEZZTKMS-ZDUSSCGKSA-N 1 2 331.847 3.756 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCCO2 ZINC000574130878 1032725428 /nfs/dbraw/zinc/72/54/28/1032725428.db2.gz BNEUJYBYCWBNLR-MRXNPFEDSA-N 1 2 326.444 3.809 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613675401 1018008710 /nfs/dbraw/zinc/00/87/10/1018008710.db2.gz JVWNJAVMDGAFSP-DLBZAZTESA-N 1 2 345.874 3.797 20 0 EHADLO CCC[C@]1(CO)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000580001318 1018010327 /nfs/dbraw/zinc/01/03/27/1018010327.db2.gz WYEZQNSYKNDRBD-KRWDZBQOSA-N 1 2 349.272 3.986 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1N(C)C ZINC000377596661 1018033485 /nfs/dbraw/zinc/03/34/85/1018033485.db2.gz AJOOJKCIQDBHRQ-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000377596661 1018033494 /nfs/dbraw/zinc/03/34/94/1018033494.db2.gz AJOOJKCIQDBHRQ-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO C=Cn1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000683696706 1018051886 /nfs/dbraw/zinc/05/18/86/1018051886.db2.gz GJHIGKMIODLFIV-QWRGUYRKSA-N 1 2 327.272 3.546 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000349254167 1018068000 /nfs/dbraw/zinc/06/80/00/1018068000.db2.gz YENHKRBTJIPTEC-RKDXNWHRSA-N 1 2 328.199 3.659 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cscc1Br ZINC000377621476 1018083168 /nfs/dbraw/zinc/08/31/68/1018083168.db2.gz XGPAMLXLPMRBHD-CYBMUJFWSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cscc1Br ZINC000377621476 1018083182 /nfs/dbraw/zinc/08/31/82/1018083182.db2.gz XGPAMLXLPMRBHD-CYBMUJFWSA-N 1 2 340.290 3.754 20 0 EHADLO Cc1nc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2o1 ZINC000047270911 1018087947 /nfs/dbraw/zinc/08/79/47/1018087947.db2.gz WNTFASNFTBXWBS-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659852538 1018095380 /nfs/dbraw/zinc/09/53/80/1018095380.db2.gz MPIFNFHMUYZDCO-UHFFFAOYSA-N 1 2 349.482 3.836 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659852538 1018095389 /nfs/dbraw/zinc/09/53/89/1018095389.db2.gz MPIFNFHMUYZDCO-UHFFFAOYSA-N 1 2 349.482 3.836 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nsc3ccccc23)cc(OC)c1 ZINC000659853366 1018103594 /nfs/dbraw/zinc/10/35/94/1018103594.db2.gz OGOWZJSJIZLUOG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nsc3ccccc23)cc(OC)c1 ZINC000659853366 1018103602 /nfs/dbraw/zinc/10/36/02/1018103602.db2.gz OGOWZJSJIZLUOG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000377661436 1018139406 /nfs/dbraw/zinc/13/94/06/1018139406.db2.gz GDXCCSQCWDCVCC-QGZVFWFLSA-N 1 2 345.855 3.881 20 0 EHADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3cc(C)on3)ccc2NC1=O ZINC000340521636 1018205390 /nfs/dbraw/zinc/20/53/90/1018205390.db2.gz BOTWPNGLMZOQIV-HSMVNMDESA-N 1 2 329.400 3.504 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000090450262 1018304142 /nfs/dbraw/zinc/30/41/42/1018304142.db2.gz SAEJSKHSPMWXHK-STQMWFEESA-N 1 2 327.819 3.728 20 0 EHADLO O=c1[nH]cc(Nc2cc[nH+]c3cc(Br)ccc23)cc1F ZINC001210599775 1018399973 /nfs/dbraw/zinc/39/99/73/1018399973.db2.gz PQWYOXREHBGCNP-UHFFFAOYSA-N 1 2 334.148 3.981 20 0 EHADLO CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580408 1032763483 /nfs/dbraw/zinc/76/34/83/1032763483.db2.gz NOGPVSSJVKGGOZ-UHFFFAOYSA-N 1 2 344.802 3.530 20 0 EHADLO CC(C)(C)n1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cn1 ZINC000340558061 1018436267 /nfs/dbraw/zinc/43/62/67/1018436267.db2.gz OYPYCUGEIBEMQQ-UHFFFAOYSA-N 1 2 328.338 3.586 20 0 EHADLO c1coc(-c2cc(C[NH+]3CCN(c4cccc5[nH]ccc54)CC3)no2)c1 ZINC000528764957 1032764807 /nfs/dbraw/zinc/76/48/07/1032764807.db2.gz ZCMPIPCTHRDQBW-UHFFFAOYSA-N 1 2 348.406 3.738 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1ccco1)c1ccccc1 ZINC000606582575 1032768209 /nfs/dbraw/zinc/76/82/09/1032768209.db2.gz VKSVYWALEVJPRE-SFHVURJKSA-N 1 2 332.363 3.838 20 0 EHADLO C[N@@H+]1CCc2ncnc(N[C@@H](c3cccc(F)c3)C(C)(C)C)c2C1 ZINC000444069805 1018522530 /nfs/dbraw/zinc/52/25/30/1018522530.db2.gz BWMXGQIGWWACPT-KRWDZBQOSA-N 1 2 328.435 3.803 20 0 EHADLO C[N@H+]1CCc2ncnc(N[C@@H](c3cccc(F)c3)C(C)(C)C)c2C1 ZINC000444069805 1018522543 /nfs/dbraw/zinc/52/25/43/1018522543.db2.gz BWMXGQIGWWACPT-KRWDZBQOSA-N 1 2 328.435 3.803 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[nH+]1 ZINC000045103401 1018580816 /nfs/dbraw/zinc/58/08/16/1018580816.db2.gz VISJAOFGGAQQGO-JTQLQIEISA-N 1 2 345.403 3.718 20 0 EHADLO Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)c(C)c[nH+]1 ZINC000580065906 1018582081 /nfs/dbraw/zinc/58/20/81/1018582081.db2.gz BRWBSVLMSRHJFY-UHFFFAOYSA-N 1 2 334.423 3.682 20 0 EHADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCC2CC2)cc1 ZINC000340598687 1018608664 /nfs/dbraw/zinc/60/86/64/1018608664.db2.gz XFJMLXVOHBGTDM-UHFFFAOYSA-N 1 2 328.485 3.755 20 0 EHADLO CC(C)(NC(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000606649748 1032780768 /nfs/dbraw/zinc/78/07/68/1032780768.db2.gz IORWHTCZSMWSAH-UHFFFAOYSA-N 1 2 334.851 3.551 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(Br)cnn1C ZINC000683830789 1018754075 /nfs/dbraw/zinc/75/40/75/1018754075.db2.gz WUIWFNHATVWXFX-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(Br)cnn1C ZINC000683830789 1018754088 /nfs/dbraw/zinc/75/40/88/1018754088.db2.gz WUIWFNHATVWXFX-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO c1ccc(N2CCC(Nc3ncnc4c5ccccc5oc43)CC2)[nH+]c1 ZINC000052184814 1018775757 /nfs/dbraw/zinc/77/57/57/1018775757.db2.gz CQRCYMSSOOWRTE-UHFFFAOYSA-N 1 2 345.406 3.852 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@@H](C(C)(C)C)CC3)c2=S)n1 ZINC000738238047 1018932598 /nfs/dbraw/zinc/93/25/98/1018932598.db2.gz DXGWBIVWIPYQAI-OAHLLOKOSA-N 1 2 347.532 3.983 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@@H](C(C)(C)C)CC3)c2=S)n1 ZINC000738238047 1018932613 /nfs/dbraw/zinc/93/26/13/1018932613.db2.gz DXGWBIVWIPYQAI-OAHLLOKOSA-N 1 2 347.532 3.983 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2(C)CC2)C[C@@H](C)O1 ZINC000279966349 1018948309 /nfs/dbraw/zinc/94/83/09/1018948309.db2.gz IPODHPXWGXJGDY-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1F)c1ccccc1 ZINC000513093901 1019004245 /nfs/dbraw/zinc/00/42/45/1019004245.db2.gz DXLUQZKZLRJMSA-INIZCTEOSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1F)c1ccccc1 ZINC000513093901 1019004263 /nfs/dbraw/zinc/00/42/63/1019004263.db2.gz DXLUQZKZLRJMSA-INIZCTEOSA-N 1 2 344.405 3.749 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255891616 1019008079 /nfs/dbraw/zinc/00/80/79/1019008079.db2.gz PKGKYXNOARGFEC-ZBFHGGJFSA-N 1 2 343.496 3.834 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255891616 1019008093 /nfs/dbraw/zinc/00/80/93/1019008093.db2.gz PKGKYXNOARGFEC-ZBFHGGJFSA-N 1 2 343.496 3.834 20 0 EHADLO O=C([C@@H]1CC2CCC1CC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513101693 1019018903 /nfs/dbraw/zinc/01/89/03/1019018903.db2.gz SZWODQHHMXRVKR-PCHAPFSGSA-N 1 2 332.875 3.639 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)c1cccs1)C2 ZINC000476066520 1032802287 /nfs/dbraw/zinc/80/22/87/1032802287.db2.gz YYMNBUWHBPEBCZ-GFCCVEGCSA-N 1 2 331.485 3.751 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1cccs1)CC2 ZINC000476066520 1032802306 /nfs/dbraw/zinc/80/23/06/1032802306.db2.gz YYMNBUWHBPEBCZ-GFCCVEGCSA-N 1 2 331.485 3.751 20 0 EHADLO Cc1cncc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275844537 1019082197 /nfs/dbraw/zinc/08/21/97/1019082197.db2.gz VGFHGLDNXNXAEB-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275844537 1019082210 /nfs/dbraw/zinc/08/22/10/1019082210.db2.gz VGFHGLDNXNXAEB-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694762 1019096930 /nfs/dbraw/zinc/09/69/30/1019096930.db2.gz IROBJGRNTZNSQF-DYVFJYSZSA-N 1 2 347.256 3.979 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694762 1019096949 /nfs/dbraw/zinc/09/69/49/1019096949.db2.gz IROBJGRNTZNSQF-DYVFJYSZSA-N 1 2 347.256 3.979 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000729033728 1019167899 /nfs/dbraw/zinc/16/78/99/1019167899.db2.gz ZIWQXEQPOYFFDD-UKRRQHHQSA-N 1 2 343.298 3.568 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(-c2cccnc2)cc1 ZINC000548091886 1019270988 /nfs/dbraw/zinc/27/09/88/1019270988.db2.gz HUFCJODKFBEKEA-RDTXWAMCSA-N 1 2 346.434 3.769 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000528785909 1032821275 /nfs/dbraw/zinc/82/12/75/1032821275.db2.gz CZUYGOMZXYDGFW-INIZCTEOSA-N 1 2 338.436 3.643 20 0 EHADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000528785909 1032821292 /nfs/dbraw/zinc/82/12/92/1032821292.db2.gz CZUYGOMZXYDGFW-INIZCTEOSA-N 1 2 338.436 3.643 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000449568301 1032821769 /nfs/dbraw/zinc/82/17/69/1032821769.db2.gz ARLCAAWOLCWRNN-RNCFNFMXSA-N 1 2 326.227 3.994 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449565100 1032817560 /nfs/dbraw/zinc/81/75/60/1032817560.db2.gz GSJIFLRKQVEZEY-HNNXBMFYSA-N 1 2 340.496 3.996 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C\c2cccs2)c1)[NH+]1CCOCC1 ZINC000729408185 1019349696 /nfs/dbraw/zinc/34/96/96/1019349696.db2.gz BBJDLLYYBPZWFI-ZPIQOJFGSA-N 1 2 342.464 3.793 20 0 EHADLO CC1(C)CC[N@H+](CCCc2c(F)cccc2Cl)CC[S@@]1=O ZINC000449572174 1032827789 /nfs/dbraw/zinc/82/77/89/1032827789.db2.gz IRMTWWUEWTWFHA-NRFANRHFSA-N 1 2 331.884 3.645 20 0 EHADLO CC1(C)CC[N@@H+](CCCc2c(F)cccc2Cl)CC[S@@]1=O ZINC000449572174 1032827805 /nfs/dbraw/zinc/82/78/05/1032827805.db2.gz IRMTWWUEWTWFHA-NRFANRHFSA-N 1 2 331.884 3.645 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccnc1C1CC1 ZINC000580459794 1019402434 /nfs/dbraw/zinc/40/24/34/1019402434.db2.gz KOEPQOIQIDNEPB-WKILWMFISA-N 1 2 336.439 3.507 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOc2c(C)cccc2C)c1 ZINC000510329439 1019445478 /nfs/dbraw/zinc/44/54/78/1019445478.db2.gz OVYLVYCDONQUTO-UHFFFAOYSA-N 1 2 349.434 3.606 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC1 ZINC000510332018 1019530723 /nfs/dbraw/zinc/53/07/23/1019530723.db2.gz OCVYFGWYMBICAU-XLMAVXFVSA-N 1 2 329.488 3.580 20 0 EHADLO Cc1nn(-c2ccccc2)cc1CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433772024 1019585482 /nfs/dbraw/zinc/58/54/82/1019585482.db2.gz WOAQTFHPLDJMGI-UHFFFAOYSA-N 1 2 346.438 3.757 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000513372673 1019593916 /nfs/dbraw/zinc/59/39/16/1019593916.db2.gz VBFCQZZYWUNXBL-OAHLLOKOSA-N 1 2 346.450 3.825 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000513372673 1019593924 /nfs/dbraw/zinc/59/39/24/1019593924.db2.gz VBFCQZZYWUNXBL-OAHLLOKOSA-N 1 2 346.450 3.825 20 0 EHADLO COc1ccsc1C[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000513392652 1019603351 /nfs/dbraw/zinc/60/33/51/1019603351.db2.gz VLMKRKQSCIKRMG-OAHLLOKOSA-N 1 2 346.496 3.644 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](c2ccc3c(c2)OCCO3)C(C)C)[nH+]1 ZINC000433795884 1019629791 /nfs/dbraw/zinc/62/97/91/1019629791.db2.gz GRBHQSBSAWNZCB-KRWDZBQOSA-N 1 2 338.411 3.847 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000433804642 1019650755 /nfs/dbraw/zinc/65/07/55/1019650755.db2.gz ZWPHJRPAIYHYBJ-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000340728727 1019652492 /nfs/dbraw/zinc/65/24/92/1019652492.db2.gz NAYWBAOYFHZNPM-HIFRSBDPSA-N 1 2 336.505 3.781 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000340728727 1019652501 /nfs/dbraw/zinc/65/25/01/1019652501.db2.gz NAYWBAOYFHZNPM-HIFRSBDPSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000580580979 1019686704 /nfs/dbraw/zinc/68/67/04/1019686704.db2.gz GOJHSCQSSWRLTP-AWEZNQCLSA-N 1 2 347.422 3.910 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000580580979 1019686716 /nfs/dbraw/zinc/68/67/16/1019686716.db2.gz GOJHSCQSSWRLTP-AWEZNQCLSA-N 1 2 347.422 3.910 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000683996328 1019695748 /nfs/dbraw/zinc/69/57/48/1019695748.db2.gz PGQYPKHQNMNYLD-NWDGAFQWSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000683996328 1019695760 /nfs/dbraw/zinc/69/57/60/1019695760.db2.gz PGQYPKHQNMNYLD-NWDGAFQWSA-N 1 2 345.306 3.544 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000656262101 1019748006 /nfs/dbraw/zinc/74/80/06/1019748006.db2.gz IJCMZEWHGKUHKM-RTWAWAEBSA-N 1 2 337.467 3.633 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000656262101 1019748020 /nfs/dbraw/zinc/74/80/20/1019748020.db2.gz IJCMZEWHGKUHKM-RTWAWAEBSA-N 1 2 337.467 3.633 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]C/C(C)=C/c2ccccc2COC)no1 ZINC000513508339 1019750225 /nfs/dbraw/zinc/75/02/25/1019750225.db2.gz LSXMTWZOWYRUSA-SDNWHVSQSA-N 1 2 329.444 3.707 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C[C@@]1(O)C(F)(F)F ZINC001203399341 1019793166 /nfs/dbraw/zinc/79/31/66/1019793166.db2.gz USNOOIRBWHYWPR-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C[C@@]1(O)C(F)(F)F ZINC001203399341 1019793174 /nfs/dbraw/zinc/79/31/74/1019793174.db2.gz USNOOIRBWHYWPR-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)c1nccc(N)n1 ZINC000580657483 1019802902 /nfs/dbraw/zinc/80/29/02/1019802902.db2.gz OYYYZZJIZYEDHV-SNVBAGLBSA-N 1 2 325.243 3.779 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)c1nccc(N)n1 ZINC000580657483 1019802915 /nfs/dbraw/zinc/80/29/15/1019802915.db2.gz OYYYZZJIZYEDHV-SNVBAGLBSA-N 1 2 325.243 3.779 20 0 EHADLO COCCOCc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000580671343 1019827592 /nfs/dbraw/zinc/82/75/92/1019827592.db2.gz AUFJVBDDENCEOH-UHFFFAOYSA-N 1 2 327.415 3.907 20 0 EHADLO Cc1cnc(OC2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)nc1 ZINC000656271563 1019852369 /nfs/dbraw/zinc/85/23/69/1019852369.db2.gz UUEWKNKFQAOEOW-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000433998776 1019864819 /nfs/dbraw/zinc/86/48/19/1019864819.db2.gz IHZOVJGNKAMZEF-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(F)c(F)cc2Cl)c1C ZINC000050449230 1019929210 /nfs/dbraw/zinc/92/92/10/1019929210.db2.gz OSOHISDTMZWFTM-UHFFFAOYSA-N 1 2 340.757 3.569 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CSCc2cccc(C)c2)c1C ZINC000050449660 1019935033 /nfs/dbraw/zinc/93/50/33/1019935033.db2.gz TVYVXMFDZZNWLF-UHFFFAOYSA-N 1 2 344.480 3.565 20 0 EHADLO CCC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510343714 1019969274 /nfs/dbraw/zinc/96/92/74/1019969274.db2.gz UGJVCSBFADUSBL-ROUUACIJSA-N 1 2 344.503 3.709 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000345116754 1019974381 /nfs/dbraw/zinc/97/43/81/1019974381.db2.gz SOBFQHYYQRIECC-UHFFFAOYSA-N 1 2 335.411 3.700 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H]1CSCCS1 ZINC000279995013 1019977313 /nfs/dbraw/zinc/97/73/13/1019977313.db2.gz KYDSYMBQUCJSDI-ZDUSSCGKSA-N 1 2 333.482 3.562 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cn1 ZINC000580760563 1019991156 /nfs/dbraw/zinc/99/11/56/1019991156.db2.gz OLRJBBNIGTURNS-NSHDSACASA-N 1 2 345.834 3.617 20 0 EHADLO O=C(c1cc[nH]c1C1CCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000345177366 1020027501 /nfs/dbraw/zinc/02/75/01/1020027501.db2.gz HUHYZQFUWYDHES-VMPITWQZSA-N 1 2 349.478 3.753 20 0 EHADLO COC[C@@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000606894797 1032874952 /nfs/dbraw/zinc/87/49/52/1032874952.db2.gz RWORYTKAMLCGOQ-GFCCVEGCSA-N 1 2 340.345 3.915 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC(C(F)(F)F)CC1 ZINC000255838263 1020138663 /nfs/dbraw/zinc/13/86/63/1020138663.db2.gz PRGVWYQTYPMKBT-UTCJRWHESA-N 1 2 349.356 3.686 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000093170760 1032879782 /nfs/dbraw/zinc/87/97/82/1032879782.db2.gz FTDYYNOHLWCATK-GFCCVEGCSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000093170760 1032879803 /nfs/dbraw/zinc/87/98/03/1032879803.db2.gz FTDYYNOHLWCATK-GFCCVEGCSA-N 1 2 338.224 3.622 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc(C)c1F ZINC001143381975 1020181808 /nfs/dbraw/zinc/18/18/08/1020181808.db2.gz SBSVFARTHYPGSI-IBGZPJMESA-N 1 2 329.415 3.722 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc(C)c1F ZINC001143381975 1020181817 /nfs/dbraw/zinc/18/18/17/1020181817.db2.gz SBSVFARTHYPGSI-IBGZPJMESA-N 1 2 329.415 3.722 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(Br)c2OC)o1 ZINC000449612537 1032881888 /nfs/dbraw/zinc/88/18/88/1032881888.db2.gz MRPJKUYBSJZKAH-UHFFFAOYSA-N 1 2 339.233 3.688 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(OCC)c2OC(F)F)o1 ZINC000449612504 1032882461 /nfs/dbraw/zinc/88/24/61/1032882461.db2.gz MMQOJFOIJTVJDZ-UHFFFAOYSA-N 1 2 340.370 3.917 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000292020135 1020198475 /nfs/dbraw/zinc/19/84/75/1020198475.db2.gz PBVOQODDVWDOPT-QGZVFWFLSA-N 1 2 346.862 3.804 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCn3cccc3)n2)C1 ZINC000155910473 1020219993 /nfs/dbraw/zinc/21/99/93/1020219993.db2.gz PXACHULYNPIYRM-OAHLLOKOSA-N 1 2 346.500 3.595 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCn3cccc3)n2)C1 ZINC000155910473 1020219999 /nfs/dbraw/zinc/21/99/99/1020219999.db2.gz PXACHULYNPIYRM-OAHLLOKOSA-N 1 2 346.500 3.595 20 0 EHADLO CCOC(=O)c1cc(C[N@H+](CC)Cc2ccc(Cl)s2)on1 ZINC000602434715 1032885837 /nfs/dbraw/zinc/88/58/37/1032885837.db2.gz OLHXTLCTOKKTDH-UHFFFAOYSA-N 1 2 328.821 3.588 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+](CC)Cc2ccc(Cl)s2)on1 ZINC000602434715 1032885853 /nfs/dbraw/zinc/88/58/53/1032885853.db2.gz OLHXTLCTOKKTDH-UHFFFAOYSA-N 1 2 328.821 3.588 20 0 EHADLO Cn1c(C[N@@H+]2CCC=C(c3ccccn3)C2)nc2cc(Cl)ccc21 ZINC000580930633 1020255222 /nfs/dbraw/zinc/25/52/22/1020255222.db2.gz SVUIMOHPMIUCPI-UHFFFAOYSA-N 1 2 338.842 3.911 20 0 EHADLO Cn1c(C[N@H+]2CCC=C(c3ccccn3)C2)nc2cc(Cl)ccc21 ZINC000580930633 1020255227 /nfs/dbraw/zinc/25/52/27/1020255227.db2.gz SVUIMOHPMIUCPI-UHFFFAOYSA-N 1 2 338.842 3.911 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000345444505 1020257107 /nfs/dbraw/zinc/25/71/07/1020257107.db2.gz SCBJJWRGLATFGW-OAHLLOKOSA-N 1 2 330.815 3.645 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000510360702 1020285786 /nfs/dbraw/zinc/28/57/86/1020285786.db2.gz ZBBSAUQUALEXNA-MOPGFXCFSA-N 1 2 337.467 3.606 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc2cc[nH]c2c1 ZINC000580959590 1020308126 /nfs/dbraw/zinc/30/81/26/1020308126.db2.gz SCURWDLBOICSBM-QAQDUYKDSA-N 1 2 334.423 3.716 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280363059 1020322103 /nfs/dbraw/zinc/32/21/03/1020322103.db2.gz JVEMCPZKKUGFSI-KBXCAEBGSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280363059 1020322109 /nfs/dbraw/zinc/32/21/09/1020322109.db2.gz JVEMCPZKKUGFSI-KBXCAEBGSA-N 1 2 339.863 3.507 20 0 EHADLO CCCOc1ccc(C)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001215586796 1020347389 /nfs/dbraw/zinc/34/73/89/1020347389.db2.gz NYGOVILRCKOCNQ-UHFFFAOYSA-N 1 2 327.428 3.759 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001204550304 1020377520 /nfs/dbraw/zinc/37/75/20/1020377520.db2.gz CYIBQDMFDJGHHT-OAHLLOKOSA-N 1 2 328.225 3.733 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001204550304 1020377528 /nfs/dbraw/zinc/37/75/28/1020377528.db2.gz CYIBQDMFDJGHHT-OAHLLOKOSA-N 1 2 328.225 3.733 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143387786 1020379972 /nfs/dbraw/zinc/37/99/72/1020379972.db2.gz SWQZOMIMPZRBIL-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143387786 1020379982 /nfs/dbraw/zinc/37/99/82/1020379982.db2.gz SWQZOMIMPZRBIL-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO Clc1ccccc1Cc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000345626182 1020401752 /nfs/dbraw/zinc/40/17/52/1020401752.db2.gz HXJULXMEZHRWMG-UHFFFAOYSA-N 1 2 337.770 3.562 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1ncccc1F ZINC000528824324 1032898989 /nfs/dbraw/zinc/89/89/89/1032898989.db2.gz APCMZLSINBLSMM-WFASDCNBSA-N 1 2 347.821 3.720 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000048272945 1020487414 /nfs/dbraw/zinc/48/74/14/1020487414.db2.gz SEFNQIIRJJXZKI-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000048272945 1020487419 /nfs/dbraw/zinc/48/74/19/1020487419.db2.gz SEFNQIIRJJXZKI-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C)C[C@@H](C)O1 ZINC000340869847 1020490710 /nfs/dbraw/zinc/49/07/10/1020490710.db2.gz AEABHNOFKAWRSJ-YWTNHNAXSA-N 1 2 342.483 3.837 20 0 EHADLO CC[NH+](CC)[C@@H](c1nc(COC)no1)c1cccc(C(F)(F)F)c1 ZINC000345742015 1020491131 /nfs/dbraw/zinc/49/11/31/1020491131.db2.gz VEMKITNLKQFSBT-CQSZACIVSA-N 1 2 343.349 3.666 20 0 EHADLO CC(=O)Nc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000340928917 1020642097 /nfs/dbraw/zinc/64/20/97/1020642097.db2.gz UTKHZIGUHDBRHC-GOSISDBHSA-N 1 2 348.406 3.529 20 0 EHADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000656472267 1020678285 /nfs/dbraw/zinc/67/82/85/1020678285.db2.gz UONJJQRINMKDSU-KRWDZBQOSA-N 1 2 339.826 3.565 20 0 EHADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000656472267 1020678289 /nfs/dbraw/zinc/67/82/89/1020678289.db2.gz UONJJQRINMKDSU-KRWDZBQOSA-N 1 2 339.826 3.565 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000069390753 1020777098 /nfs/dbraw/zinc/77/70/98/1020777098.db2.gz VSJYCIYFOUVIKO-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO Fc1cc(Br)cc([C@H]([NH2+]Cc2ccon2)C2CC2)c1 ZINC000548167959 1020855015 /nfs/dbraw/zinc/85/50/15/1020855015.db2.gz VLFMKSBNXRJBHM-CQSZACIVSA-N 1 2 325.181 3.817 20 0 EHADLO COc1ccccc1/C(C)=C\C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000255303093 1020889060 /nfs/dbraw/zinc/88/90/60/1020889060.db2.gz JYOWWOHJEKZRGC-SSZFMOIBSA-N 1 2 347.418 3.601 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)CCS2 ZINC000276202801 1020894676 /nfs/dbraw/zinc/89/46/76/1020894676.db2.gz YXZPRWCKORYYAC-BXUZGUMPSA-N 1 2 332.473 3.824 20 0 EHADLO Cc1cc2c(s1)N(c1ccc3ncnn3c1)c1ccccc1NC2=[NH2+] ZINC001167463504 1020920668 /nfs/dbraw/zinc/92/06/68/1020920668.db2.gz ULTYOWFZMJHGQG-UHFFFAOYSA-N 1 2 346.419 3.919 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cccnc3OC3CCCC3)cn2c1 ZINC000341090513 1020971186 /nfs/dbraw/zinc/97/11/86/1020971186.db2.gz JMLFJATXJRVEAJ-UHFFFAOYSA-N 1 2 336.439 3.649 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341172930 1021043726 /nfs/dbraw/zinc/04/37/26/1021043726.db2.gz DFANHLMPNMJZOZ-INIZCTEOSA-N 1 2 346.434 3.529 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760434503 1032951667 /nfs/dbraw/zinc/95/16/67/1032951667.db2.gz XUPUOXZNJHINNQ-WBVHZDCISA-N 1 2 335.492 3.542 20 0 EHADLO COc1cccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)c1 ZINC000276361393 1021098460 /nfs/dbraw/zinc/09/84/60/1021098460.db2.gz VXBNKBVZAKOGQT-UONOGXRCSA-N 1 2 329.448 3.599 20 0 EHADLO COCc1cc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)no1 ZINC000656655456 1021101182 /nfs/dbraw/zinc/10/11/82/1021101182.db2.gz JJAVXRDJOIHVSB-UHFFFAOYSA-N 1 2 340.345 3.514 20 0 EHADLO CCS[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000341236439 1021147079 /nfs/dbraw/zinc/14/70/79/1021147079.db2.gz HPDALYUHCALJPE-QGZVFWFLSA-N 1 2 337.533 3.680 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(CCC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000581611118 1021147604 /nfs/dbraw/zinc/14/76/04/1021147604.db2.gz NUGZMZLUZYOQFE-LBPRGKRZSA-N 1 2 325.334 3.968 20 0 EHADLO C[C@@H](CC(=O)NC1CC(F)(c2cccc(Cl)c2)C1)n1cc[nH+]c1 ZINC000581612654 1021151386 /nfs/dbraw/zinc/15/13/86/1021151386.db2.gz ZHQOPQWWIFEZEQ-VWDMACCTSA-N 1 2 335.810 3.631 20 0 EHADLO CC1(C)C[C@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000656675339 1021152430 /nfs/dbraw/zinc/15/24/30/1021152430.db2.gz CREFZHVZDSPNJF-ZWKOTPCHSA-N 1 2 349.434 3.983 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000656681389 1021159242 /nfs/dbraw/zinc/15/92/42/1021159242.db2.gz FIGVCDSXDXNCRO-VHSXEESVSA-N 1 2 343.374 3.840 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)no1 ZINC000341241483 1021164739 /nfs/dbraw/zinc/16/47/39/1021164739.db2.gz NQMAACNWCKCGQL-UHFFFAOYSA-N 1 2 344.459 3.501 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000518436159 1021182313 /nfs/dbraw/zinc/18/23/13/1021182313.db2.gz BAQCMVWQVLYGQF-UHFFFAOYSA-N 1 2 346.346 3.626 20 0 EHADLO Cc1nnsc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000518471469 1021215004 /nfs/dbraw/zinc/21/50/04/1021215004.db2.gz DRFDYLKONRBKFI-UHFFFAOYSA-N 1 2 335.860 3.595 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657018 1021232785 /nfs/dbraw/zinc/23/27/85/1021232785.db2.gz SGFQAJUHGRRTOV-KBXCAEBGSA-N 1 2 348.368 3.510 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657018 1021232791 /nfs/dbraw/zinc/23/27/91/1021232791.db2.gz SGFQAJUHGRRTOV-KBXCAEBGSA-N 1 2 348.368 3.510 20 0 EHADLO O=C(CCC1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507399685 1021235367 /nfs/dbraw/zinc/23/53/67/1021235367.db2.gz FIHGFBOPZJMVSU-UHFFFAOYSA-N 1 2 331.847 3.756 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]C(c2cccs2)c2cccs2)on1 ZINC000602553423 1032969769 /nfs/dbraw/zinc/96/97/69/1032969769.db2.gz BZCQDWJBJVXKPB-UHFFFAOYSA-N 1 2 348.449 3.854 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(O)cc3C)no2)c1 ZINC000436881085 1021330900 /nfs/dbraw/zinc/33/09/00/1021330900.db2.gz QURBXIMELUFGIN-UHFFFAOYSA-N 1 2 332.363 3.912 20 0 EHADLO COc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)c(Cl)cc1O ZINC000638610464 1021375364 /nfs/dbraw/zinc/37/53/64/1021375364.db2.gz RBDVHIKFLIULQR-UHFFFAOYSA-N 1 2 326.849 3.844 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1O ZINC000426364725 1021386731 /nfs/dbraw/zinc/38/67/31/1021386731.db2.gz JGAQBUORVSKXTD-OAHLLOKOSA-N 1 2 341.455 3.829 20 0 EHADLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)cc1F ZINC000341312541 1021413844 /nfs/dbraw/zinc/41/38/44/1021413844.db2.gz NNFXBUWYSHIIPS-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000507667224 1021424634 /nfs/dbraw/zinc/42/46/34/1021424634.db2.gz BMWPEYPNAQJGAM-QGZVFWFLSA-N 1 2 331.799 3.642 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000507667224 1021424640 /nfs/dbraw/zinc/42/46/40/1021424640.db2.gz BMWPEYPNAQJGAM-QGZVFWFLSA-N 1 2 331.799 3.642 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)on1 ZINC000602571308 1032979765 /nfs/dbraw/zinc/97/97/65/1032979765.db2.gz ZQJMTTVEQWDBAK-HNNXBMFYSA-N 1 2 338.354 3.616 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1C[C@H]2CCC[C@@H]21 ZINC000425669840 1021450509 /nfs/dbraw/zinc/45/05/09/1021450509.db2.gz DJFJPBNNSSBHJU-KDOFPFPSSA-N 1 2 336.439 3.903 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000426396282 1021472012 /nfs/dbraw/zinc/47/20/12/1021472012.db2.gz NCOWFBRPKBEHPP-ZDUSSCGKSA-N 1 2 334.489 3.982 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000426396282 1021472016 /nfs/dbraw/zinc/47/20/16/1021472016.db2.gz NCOWFBRPKBEHPP-ZDUSSCGKSA-N 1 2 334.489 3.982 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000664753773 1021476372 /nfs/dbraw/zinc/47/63/72/1021476372.db2.gz DVJCJLMMSYBNLM-HZPDHXFCSA-N 1 2 338.411 3.652 20 0 EHADLO CSc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)s1 ZINC000353896202 1021483974 /nfs/dbraw/zinc/48/39/74/1021483974.db2.gz HBNRVGHMPLMSRM-QMMMGPOBSA-N 1 2 344.303 3.873 20 0 EHADLO CCCc1csc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000426414239 1021515718 /nfs/dbraw/zinc/51/57/18/1021515718.db2.gz AHKQXOWWXTWKFJ-HNNXBMFYSA-N 1 2 330.501 3.733 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)no1 ZINC000581694963 1021534613 /nfs/dbraw/zinc/53/46/13/1021534613.db2.gz OJFAHXYDQQSKLF-DGCLKSJQSA-N 1 2 328.441 3.928 20 0 EHADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)no1 ZINC000581694963 1021534622 /nfs/dbraw/zinc/53/46/22/1021534622.db2.gz OJFAHXYDQQSKLF-DGCLKSJQSA-N 1 2 328.441 3.928 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000509609773 1021554066 /nfs/dbraw/zinc/55/40/66/1021554066.db2.gz SFMYBBQNYCIDES-QIAWRQBBSA-N 1 2 339.468 3.887 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000188919811 1021636567 /nfs/dbraw/zinc/63/65/67/1021636567.db2.gz FZFBEEBVMJCSCF-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000188919811 1021636572 /nfs/dbraw/zinc/63/65/72/1021636572.db2.gz FZFBEEBVMJCSCF-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079102891 1021642903 /nfs/dbraw/zinc/64/29/03/1021642903.db2.gz DPFSQGOXKAUKHC-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(F)c1 ZINC000096981339 1021645049 /nfs/dbraw/zinc/64/50/49/1021645049.db2.gz GPEDSVZPUSUVPZ-UHFFFAOYSA-N 1 2 347.390 3.645 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(F)c1 ZINC000096981339 1021645055 /nfs/dbraw/zinc/64/50/55/1021645055.db2.gz GPEDSVZPUSUVPZ-UHFFFAOYSA-N 1 2 347.390 3.645 20 0 EHADLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000506008944 1021686787 /nfs/dbraw/zinc/68/67/87/1021686787.db2.gz GLPVAYGREFWPRP-LJQANCHMSA-N 1 2 348.471 3.827 20 0 EHADLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000506008944 1021686794 /nfs/dbraw/zinc/68/67/94/1021686794.db2.gz GLPVAYGREFWPRP-LJQANCHMSA-N 1 2 348.471 3.827 20 0 EHADLO CCC[N@H+](Cc1nnn(CC(F)(F)F)n1)[C@H](CC)c1ccccc1 ZINC000440692054 1021712275 /nfs/dbraw/zinc/71/22/75/1021712275.db2.gz JVJBETDFTXNOBV-CQSZACIVSA-N 1 2 341.381 3.599 20 0 EHADLO CCC[N@@H+](Cc1nnn(CC(F)(F)F)n1)[C@H](CC)c1ccccc1 ZINC000440692054 1021712292 /nfs/dbraw/zinc/71/22/92/1021712292.db2.gz JVJBETDFTXNOBV-CQSZACIVSA-N 1 2 341.381 3.599 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccn2)CC1)Nc1ccc(Cl)cc1 ZINC000289393068 1021727945 /nfs/dbraw/zinc/72/79/45/1021727945.db2.gz RDNUDTYUXMUOBV-UHFFFAOYSA-N 1 2 347.821 3.634 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482533 1021761473 /nfs/dbraw/zinc/76/14/73/1021761473.db2.gz MMXCJKYWNFSYJM-RDJZCZTQSA-N 1 2 349.434 3.783 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482533 1021761486 /nfs/dbraw/zinc/76/14/86/1021761486.db2.gz MMXCJKYWNFSYJM-RDJZCZTQSA-N 1 2 349.434 3.783 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc(Cl)c1OC ZINC000634736052 1021768058 /nfs/dbraw/zinc/76/80/58/1021768058.db2.gz YFOKTAJLAALOIL-CYBMUJFWSA-N 1 2 349.805 3.603 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc(Cl)c1OC ZINC000634736052 1021768068 /nfs/dbraw/zinc/76/80/68/1021768068.db2.gz YFOKTAJLAALOIL-CYBMUJFWSA-N 1 2 349.805 3.603 20 0 EHADLO CC(C)(C)C[C@@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440785999 1021778689 /nfs/dbraw/zinc/77/86/89/1021778689.db2.gz RRGKNSAPSWHTRX-CYBMUJFWSA-N 1 2 341.381 3.503 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H](CC(F)(F)F)O1 ZINC000664634028 1021859620 /nfs/dbraw/zinc/85/96/20/1021859620.db2.gz BXKWUALXLORUJY-ZWNOBZJWSA-N 1 2 328.309 3.920 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000897625264 1033014536 /nfs/dbraw/zinc/01/45/36/1033014536.db2.gz IWTDZKHZNANBBZ-GOOCMWNKSA-N 1 2 327.453 3.998 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1F ZINC000437533082 1021927569 /nfs/dbraw/zinc/92/75/69/1021927569.db2.gz DZVCCNJBIAVECR-GJZGRUSLSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1F ZINC000437533082 1021927581 /nfs/dbraw/zinc/92/75/81/1021927581.db2.gz DZVCCNJBIAVECR-GJZGRUSLSA-N 1 2 342.867 3.778 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437578486 1021963283 /nfs/dbraw/zinc/96/32/83/1021963283.db2.gz NKUTZBMAMMTUKS-NVXWUHKLSA-N 1 2 338.476 3.961 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437578486 1021963291 /nfs/dbraw/zinc/96/32/91/1021963291.db2.gz NKUTZBMAMMTUKS-NVXWUHKLSA-N 1 2 338.476 3.961 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000581873416 1021969403 /nfs/dbraw/zinc/96/94/03/1021969403.db2.gz FLYCFGFTJJASLE-WMZOPIPTSA-N 1 2 339.439 3.941 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccc3ncsc3c2)c(C)c[nH+]1 ZINC000548271817 1021973256 /nfs/dbraw/zinc/97/32/56/1021973256.db2.gz AEHFHTMTSGNUFY-LBPRGKRZSA-N 1 2 326.425 3.613 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(C)cn2)ccc1OCC(C)C ZINC000341465498 1021988576 /nfs/dbraw/zinc/98/85/76/1021988576.db2.gz JWEJESPBAAGWPO-HNNXBMFYSA-N 1 2 329.444 3.679 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccn2)cc1 ZINC000519337069 1022028176 /nfs/dbraw/zinc/02/81/76/1022028176.db2.gz YHKXVQLGGDSOIV-FQEVSTJZSA-N 1 2 330.435 3.937 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000607175753 1033024782 /nfs/dbraw/zinc/02/47/82/1033024782.db2.gz SWNKURLHLBRWHM-AEFFLSMTSA-N 1 2 344.503 3.840 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(OCC3CC3)cc2)s1 ZINC000276622411 1022034165 /nfs/dbraw/zinc/03/41/65/1022034165.db2.gz LWTPZSWWARRATI-UHFFFAOYSA-N 1 2 331.485 3.914 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ncn(C3CC3)c2=S)CC[C@@H]1c1ccccc1 ZINC000172937084 1033033568 /nfs/dbraw/zinc/03/35/68/1033033568.db2.gz UULNOFRBCRXVRZ-PBHICJAKSA-N 1 2 328.485 3.832 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ncn(C3CC3)c2=S)CC[C@@H]1c1ccccc1 ZINC000172937084 1033033579 /nfs/dbraw/zinc/03/35/79/1033033579.db2.gz UULNOFRBCRXVRZ-PBHICJAKSA-N 1 2 328.485 3.832 20 0 EHADLO CCC[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(F)cc1 ZINC000441291488 1022131286 /nfs/dbraw/zinc/13/12/86/1022131286.db2.gz WRJJIMDNTZVTJH-UHFFFAOYSA-N 1 2 331.313 3.726 20 0 EHADLO CCC[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(F)cc1 ZINC000441291488 1022131293 /nfs/dbraw/zinc/13/12/93/1022131293.db2.gz WRJJIMDNTZVTJH-UHFFFAOYSA-N 1 2 331.313 3.726 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000506134148 1022158717 /nfs/dbraw/zinc/15/87/17/1022158717.db2.gz AIBCVZNZQGMNGV-YVWKXTFCSA-N 1 2 337.467 3.667 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)[C@@H](C)c3cccc(O)c3)o2)cc1 ZINC000440413807 1022174203 /nfs/dbraw/zinc/17/42/03/1022174203.db2.gz JJRQNFLIQPKPSB-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)[C@@H](C)c3cccc(O)c3)o2)cc1 ZINC000440413807 1022174215 /nfs/dbraw/zinc/17/42/15/1022174215.db2.gz JJRQNFLIQPKPSB-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)C[C@@H](C)CC3)CCO2 ZINC000341539474 1022175579 /nfs/dbraw/zinc/17/55/79/1022175579.db2.gz BPOJVDCBAAMKHY-WFASDCNBSA-N 1 2 344.480 3.890 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000126283406 1022193884 /nfs/dbraw/zinc/19/38/84/1022193884.db2.gz RIAUVUSJTJJUFT-RDJZCZTQSA-N 1 2 341.455 3.745 20 0 EHADLO Oc1ccccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000016481511 1022199860 /nfs/dbraw/zinc/19/98/60/1022199860.db2.gz FBLUDLXGMIGGCC-UHFFFAOYSA-N 1 2 336.357 3.733 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC ZINC000345975609 1022212806 /nfs/dbraw/zinc/21/28/06/1022212806.db2.gz AGBUUMQBXMJHIJ-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO CC(=O)Nc1cccc2c1CN(c1cc(C)[nH+]c(C3CCC3)n1)CC2 ZINC000894921199 1022245129 /nfs/dbraw/zinc/24/51/29/1022245129.db2.gz XBYQXGHYHXOMHV-UHFFFAOYSA-N 1 2 336.439 3.574 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000112430180 1022249570 /nfs/dbraw/zinc/24/95/70/1022249570.db2.gz XNPVYMGOFDAPOZ-AEFFLSMTSA-N 1 2 328.460 3.619 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000519526575 1022287713 /nfs/dbraw/zinc/28/77/13/1022287713.db2.gz OVQAHHPZUKRLPS-RKVPGOIHSA-N 1 2 344.434 3.684 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)c2ccccc2c1 ZINC000550346271 1022292147 /nfs/dbraw/zinc/29/21/47/1022292147.db2.gz VTFQZMUHYMFIQT-UHFFFAOYSA-N 1 2 337.398 3.996 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000341554773 1022304144 /nfs/dbraw/zinc/30/41/44/1022304144.db2.gz KPXSMTCWKJRSOM-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000341554773 1022304160 /nfs/dbraw/zinc/30/41/60/1022304160.db2.gz KPXSMTCWKJRSOM-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC000894466909 1022344664 /nfs/dbraw/zinc/34/46/64/1022344664.db2.gz OWHUSLDNDXRMOW-XQRVVYSFSA-N 1 2 330.369 3.797 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C/C=C\c1cccc(F)c1 ZINC000894466909 1022344679 /nfs/dbraw/zinc/34/46/79/1022344679.db2.gz OWHUSLDNDXRMOW-XQRVVYSFSA-N 1 2 330.369 3.797 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343242141 1022384697 /nfs/dbraw/zinc/38/46/97/1022384697.db2.gz KPKJGYOUCLNCBW-KRWDZBQOSA-N 1 2 325.456 3.520 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(OCC2CCCCC2)c1)c1ncnn1C ZINC000276719686 1022404858 /nfs/dbraw/zinc/40/48/58/1022404858.db2.gz PRJWGWAYSABIRW-HNNXBMFYSA-N 1 2 328.460 3.625 20 0 EHADLO C[C@]1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC=CCC1 ZINC000458889549 1022439183 /nfs/dbraw/zinc/43/91/83/1022439183.db2.gz SNISGCMFVMLQHG-SFHVURJKSA-N 1 2 344.846 3.824 20 0 EHADLO CC1(C)C[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1c1cccnc1 ZINC000664823200 1022444286 /nfs/dbraw/zinc/44/42/86/1022444286.db2.gz BMOXXSCVRGKTNX-GOSISDBHSA-N 1 2 336.439 3.610 20 0 EHADLO CC1(C)C[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1c1cccnc1 ZINC000664823200 1022444289 /nfs/dbraw/zinc/44/42/89/1022444289.db2.gz BMOXXSCVRGKTNX-GOSISDBHSA-N 1 2 336.439 3.610 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)n1cc[nH+]c1 ZINC000517573552 1022452695 /nfs/dbraw/zinc/45/26/95/1022452695.db2.gz YMZHBVVLDRHBHH-OAHLLOKOSA-N 1 2 349.438 3.673 20 0 EHADLO c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]Cc1nnc2n1CCC2 ZINC000328663005 1022458640 /nfs/dbraw/zinc/45/86/40/1022458640.db2.gz BAFUZCMYOKEVDW-INIZCTEOSA-N 1 2 338.455 3.541 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120199418 1022464808 /nfs/dbraw/zinc/46/48/08/1022464808.db2.gz CXLMEVVPYXQYBX-CQSZACIVSA-N 1 2 335.835 3.674 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120199418 1022464810 /nfs/dbraw/zinc/46/48/10/1022464810.db2.gz CXLMEVVPYXQYBX-CQSZACIVSA-N 1 2 335.835 3.674 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830606 1022525837 /nfs/dbraw/zinc/52/58/37/1022525837.db2.gz AOXMMVGPBKEHHU-APWZRJJASA-N 1 2 341.499 3.860 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830606 1022525842 /nfs/dbraw/zinc/52/58/42/1022525842.db2.gz AOXMMVGPBKEHHU-APWZRJJASA-N 1 2 341.499 3.860 20 0 EHADLO CCSc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000517658030 1022532026 /nfs/dbraw/zinc/53/20/26/1022532026.db2.gz ZUYDNHXECLBFJT-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H](CC2CC2)c2ccccc2)n1 ZINC000579308748 1022535118 /nfs/dbraw/zinc/53/51/18/1022535118.db2.gz AKIAMRCOUGTZBJ-OAHLLOKOSA-N 1 2 334.261 3.814 20 0 EHADLO CCOC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000438316468 1022538401 /nfs/dbraw/zinc/53/84/01/1022538401.db2.gz WINWBUKNUTYCDR-UHFFFAOYSA-N 1 2 335.407 3.720 20 0 EHADLO c1csc(C[N@H+](Cc2nc3cccnc3s2)C[C@@H]2CCCO2)c1 ZINC000341609309 1022548114 /nfs/dbraw/zinc/54/81/14/1022548114.db2.gz SPKYBOBMBSCVAL-ZDUSSCGKSA-N 1 2 345.493 3.934 20 0 EHADLO c1csc(C[N@@H+](Cc2nc3cccnc3s2)C[C@@H]2CCCO2)c1 ZINC000341609309 1022548119 /nfs/dbraw/zinc/54/81/19/1022548119.db2.gz SPKYBOBMBSCVAL-ZDUSSCGKSA-N 1 2 345.493 3.934 20 0 EHADLO O=C(CCCCCc1cccs1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346009184 1022550239 /nfs/dbraw/zinc/55/02/39/1022550239.db2.gz JQAPKVWHVKGQFV-KRWDZBQOSA-N 1 2 344.480 3.926 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1OCc1ccccc1)c1ncnn1C ZINC000276744768 1022560367 /nfs/dbraw/zinc/56/03/67/1022560367.db2.gz ZNFTZRNAELWEHZ-JKSUJKDBSA-N 1 2 336.439 3.806 20 0 EHADLO CCc1nc(C[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276747520 1022573826 /nfs/dbraw/zinc/57/38/26/1022573826.db2.gz SNYCVBDWJHMAAN-INIZCTEOSA-N 1 2 343.496 3.526 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469390283 1022576099 /nfs/dbraw/zinc/57/60/99/1022576099.db2.gz FPFYFBKDKCHHRR-GJYPPUQNSA-N 1 2 325.456 3.659 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cnnn2-c2ccccc2)cs1 ZINC000925031472 1022576542 /nfs/dbraw/zinc/57/65/42/1022576542.db2.gz AQCZRNDMYRKWMJ-CHWSQXEVSA-N 1 2 327.457 3.698 20 0 EHADLO CC1(C)CC(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000548374274 1022579039 /nfs/dbraw/zinc/57/90/39/1022579039.db2.gz QNHUOOCUHHNOHK-UHFFFAOYSA-N 1 2 332.492 3.521 20 0 EHADLO COc1ccccc1C[N@H+](Cc1nc2cccnc2s1)C1CC1 ZINC000341623561 1022592242 /nfs/dbraw/zinc/59/22/42/1022592242.db2.gz TXUBJSYGXKFPOH-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1nc2cccnc2s1)C1CC1 ZINC000341623561 1022592250 /nfs/dbraw/zinc/59/22/50/1022592250.db2.gz TXUBJSYGXKFPOH-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C)[C@H](C)O1 ZINC000438366446 1022596315 /nfs/dbraw/zinc/59/63/15/1022596315.db2.gz WEUMIMZEJOYQTO-WOPDTQHZSA-N 1 2 335.341 3.765 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C)[C@H](C)O1 ZINC000438366446 1022596329 /nfs/dbraw/zinc/59/63/29/1022596329.db2.gz WEUMIMZEJOYQTO-WOPDTQHZSA-N 1 2 335.341 3.765 20 0 EHADLO COCc1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC001125546843 1022596760 /nfs/dbraw/zinc/59/67/60/1022596760.db2.gz GBQUFMNAWJVOAC-UHFFFAOYSA-N 1 2 347.827 3.986 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000438470268 1022681974 /nfs/dbraw/zinc/68/19/74/1022681974.db2.gz IHCBNYOMPJHCGW-CYBMUJFWSA-N 1 2 349.466 3.976 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000438470268 1022681984 /nfs/dbraw/zinc/68/19/84/1022681984.db2.gz IHCBNYOMPJHCGW-CYBMUJFWSA-N 1 2 349.466 3.976 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837158 1022707896 /nfs/dbraw/zinc/70/78/96/1022707896.db2.gz NAPZHRZFYLROIJ-QAPCUYQASA-N 1 2 329.488 3.550 20 0 EHADLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837158 1022707909 /nfs/dbraw/zinc/70/79/09/1022707909.db2.gz NAPZHRZFYLROIJ-QAPCUYQASA-N 1 2 329.488 3.550 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(Br)s1 ZINC000331230167 1022762926 /nfs/dbraw/zinc/76/29/26/1022762926.db2.gz HMBUWADFXRSHGK-QMMMGPOBSA-N 1 2 343.294 3.777 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(C)cn2)ccc1OC1CCCC1 ZINC000341659970 1022896643 /nfs/dbraw/zinc/89/66/43/1022896643.db2.gz PDVDNKKWKBDTFF-OAHLLOKOSA-N 1 2 341.455 3.966 20 0 EHADLO C[C@@H](N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1(C)CC1 ZINC000438652101 1022902044 /nfs/dbraw/zinc/90/20/44/1022902044.db2.gz BHRBXQHIQULJLI-JKSUJKDBSA-N 1 2 345.487 3.732 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1nc(-c2ccccc2F)no1 ZINC000188944638 1022934240 /nfs/dbraw/zinc/93/42/40/1022934240.db2.gz LJFBGJZMIMVUGF-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1nc(-c2ccccc2F)no1 ZINC000188944638 1022934253 /nfs/dbraw/zinc/93/42/53/1022934253.db2.gz LJFBGJZMIMVUGF-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO COC(=O)[C@H]1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000894812582 1022945133 /nfs/dbraw/zinc/94/51/33/1022945133.db2.gz CZEBMTSWFBNATK-KRWDZBQOSA-N 1 2 349.434 3.508 20 0 EHADLO FC(F)(F)c1ccc(CC2C[NH+](Cc3nccn3C3CC3)C2)cc1 ZINC000894818635 1022951722 /nfs/dbraw/zinc/95/17/22/1022951722.db2.gz DJBBLULRCJPNRW-UHFFFAOYSA-N 1 2 335.373 3.911 20 0 EHADLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CCOC4(CCOCC4)C3)cc2)c1C ZINC000894818581 1022952286 /nfs/dbraw/zinc/95/22/86/1022952286.db2.gz QVIRDOCGNORUDL-GOSISDBHSA-N 1 2 341.455 3.629 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259798 1022954635 /nfs/dbraw/zinc/95/46/35/1022954635.db2.gz IRDZQEVDUJWKMV-GOSISDBHSA-N 1 2 334.529 3.999 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933767916 1022958374 /nfs/dbraw/zinc/95/83/74/1022958374.db2.gz OFSKNGGTIWQQKH-FXAWDEMLSA-N 1 2 347.462 3.932 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000506371242 1023014649 /nfs/dbraw/zinc/01/46/49/1023014649.db2.gz URSVJBQMSWPYNJ-FOIQADDNSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000506371242 1023014660 /nfs/dbraw/zinc/01/46/60/1023014660.db2.gz URSVJBQMSWPYNJ-FOIQADDNSA-N 1 2 339.435 3.592 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)c1nccn1C ZINC000341689248 1023025890 /nfs/dbraw/zinc/02/58/90/1023025890.db2.gz HPOASTOMCHQYGS-JSGCOSHPSA-N 1 2 327.457 3.741 20 0 EHADLO Cc1n[nH]cc1CNc1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000438827334 1023045615 /nfs/dbraw/zinc/04/56/15/1023045615.db2.gz BXOLOAORYYWAHJ-UHFFFAOYSA-N 1 2 345.450 3.735 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000438827475 1023045735 /nfs/dbraw/zinc/04/57/35/1023045735.db2.gz SIYQRKVSQJFOJK-BBATYDOGSA-N 1 2 346.356 3.705 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H]2CCc3sc(Br)cc32)[nH]1 ZINC000294564365 1023059143 /nfs/dbraw/zinc/05/91/43/1023059143.db2.gz BOXJHFSNCFHTIM-CBAPKCEASA-N 1 2 341.278 3.529 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CF)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009885 1023105691 /nfs/dbraw/zinc/10/56/91/1023105691.db2.gz GSZALYNCZDQKGN-HKUYNNGSSA-N 1 2 336.426 3.607 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CF)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000550009885 1023105697 /nfs/dbraw/zinc/10/56/97/1023105697.db2.gz GSZALYNCZDQKGN-HKUYNNGSSA-N 1 2 336.426 3.607 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)c2cccnc2)c(C)c1 ZINC000441477365 1023114998 /nfs/dbraw/zinc/11/49/98/1023114998.db2.gz BRAOFRQMTJOKDS-PXNSSMCTSA-N 1 2 348.450 3.556 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)c2cccnc2)c(C)c1 ZINC000441477368 1023115429 /nfs/dbraw/zinc/11/54/29/1023115429.db2.gz BRAOFRQMTJOKDS-XLIONFOSSA-N 1 2 348.450 3.556 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000507103008 1023130989 /nfs/dbraw/zinc/13/09/89/1023130989.db2.gz MJWUDWJKRHMUEN-NRFANRHFSA-N 1 2 334.419 3.839 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000507103008 1023131001 /nfs/dbraw/zinc/13/10/01/1023131001.db2.gz MJWUDWJKRHMUEN-NRFANRHFSA-N 1 2 334.419 3.839 20 0 EHADLO O=C(/C=C/C1CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000079539454 1033108123 /nfs/dbraw/zinc/10/81/23/1033108123.db2.gz AZIFMJKNUWZSNL-ROJDOSBLSA-N 1 2 336.838 3.698 20 0 EHADLO Fc1ccccc1OCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000518251854 1023162599 /nfs/dbraw/zinc/16/25/99/1023162599.db2.gz BNGDZVHGPADUSY-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO Fc1ccccc1OCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000518251854 1023162605 /nfs/dbraw/zinc/16/26/05/1023162605.db2.gz BNGDZVHGPADUSY-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000510800940 1023181877 /nfs/dbraw/zinc/18/18/77/1023181877.db2.gz YXOVHXSERNUGFJ-ZDUSSCGKSA-N 1 2 349.390 3.856 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC23CCCC3)c(C)c1 ZINC000441486276 1023193842 /nfs/dbraw/zinc/19/38/42/1023193842.db2.gz DYFFGLAZUAKDQL-MOPGFXCFSA-N 1 2 337.467 3.938 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc(-c2cnco2)c1 ZINC000894371791 1023202626 /nfs/dbraw/zinc/20/26/26/1023202626.db2.gz IWVKYWGDAGPINH-UHFFFAOYSA-N 1 2 348.410 3.848 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1c[nH]c2ccccc12 ZINC000190475088 1023203119 /nfs/dbraw/zinc/20/31/19/1023203119.db2.gz DNSFGYKISHVJFE-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1c[nH]c2ccccc12 ZINC000190475088 1023203125 /nfs/dbraw/zinc/20/31/25/1023203125.db2.gz DNSFGYKISHVJFE-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)Cc1c[nH]c2ccccc12 ZINC000190475476 1023203611 /nfs/dbraw/zinc/20/36/11/1023203611.db2.gz SKKMTKQXRCXURD-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)Cc1c[nH]c2ccccc12 ZINC000190475476 1023203616 /nfs/dbraw/zinc/20/36/16/1023203616.db2.gz SKKMTKQXRCXURD-UHFFFAOYSA-N 1 2 349.434 3.831 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000579421372 1023208728 /nfs/dbraw/zinc/20/87/28/1023208728.db2.gz RBZRCYMXXPFRTK-WFASDCNBSA-N 1 2 337.345 3.512 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC000459069585 1023236701 /nfs/dbraw/zinc/23/67/01/1023236701.db2.gz DZXFTHZSPCRYSY-CABCVRRESA-N 1 2 343.393 3.961 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000507315670 1023240461 /nfs/dbraw/zinc/24/04/61/1023240461.db2.gz DZPALMAJQAVQKQ-GJZGRUSLSA-N 1 2 346.500 3.833 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000664867599 1023259229 /nfs/dbraw/zinc/25/92/29/1023259229.db2.gz ZHTBBDOAWHZQII-UHFFFAOYSA-N 1 2 349.438 3.577 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000664867599 1023259242 /nfs/dbraw/zinc/25/92/42/1023259242.db2.gz ZHTBBDOAWHZQII-UHFFFAOYSA-N 1 2 349.438 3.577 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000469430362 1023281034 /nfs/dbraw/zinc/28/10/34/1023281034.db2.gz PWWAJADFLXUQHW-GJZGRUSLSA-N 1 2 335.517 3.715 20 0 EHADLO CC[C@@](NCc1c[nH+]cn1C(C)C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000602730526 1033119844 /nfs/dbraw/zinc/11/98/44/1033119844.db2.gz UHJZODPYJKWAQN-SFHVURJKSA-N 1 2 349.862 3.686 20 0 EHADLO Cc1ncsc1CCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091980400 1023336723 /nfs/dbraw/zinc/33/67/23/1023336723.db2.gz VQNDMJXOALNWCQ-OAHLLOKOSA-N 1 2 333.476 3.512 20 0 EHADLO c1csc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276928476 1023399446 /nfs/dbraw/zinc/39/94/46/1023399446.db2.gz MBYORTWESMWWLJ-HNNXBMFYSA-N 1 2 333.457 3.752 20 0 EHADLO c1csc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276928476 1023399450 /nfs/dbraw/zinc/39/94/50/1023399450.db2.gz MBYORTWESMWWLJ-HNNXBMFYSA-N 1 2 333.457 3.752 20 0 EHADLO c1csc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276928478 1023400205 /nfs/dbraw/zinc/40/02/05/1023400205.db2.gz MBYORTWESMWWLJ-OAHLLOKOSA-N 1 2 333.457 3.752 20 0 EHADLO c1csc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276928478 1023400209 /nfs/dbraw/zinc/40/02/09/1023400209.db2.gz MBYORTWESMWWLJ-OAHLLOKOSA-N 1 2 333.457 3.752 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C2CC2)n1 ZINC000891918648 1023400413 /nfs/dbraw/zinc/40/04/13/1023400413.db2.gz SZOUDAXFXMYGIA-UHFFFAOYSA-N 1 2 337.423 3.799 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C2CC2)n1 ZINC000891918648 1023400422 /nfs/dbraw/zinc/40/04/22/1023400422.db2.gz SZOUDAXFXMYGIA-UHFFFAOYSA-N 1 2 337.423 3.799 20 0 EHADLO Clc1cc(Br)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000276940912 1023429685 /nfs/dbraw/zinc/42/96/85/1023429685.db2.gz SGRODDKCUNKOBH-UHFFFAOYSA-N 1 2 341.640 3.536 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)COC2 ZINC000092511693 1023432319 /nfs/dbraw/zinc/43/23/19/1023432319.db2.gz LPYAQURAXLTCSU-FPYGCLRLSA-N 1 2 331.375 3.554 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000119599139 1033133478 /nfs/dbraw/zinc/13/34/78/1033133478.db2.gz QJPLVTRCJBPZBK-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000119599139 1033133486 /nfs/dbraw/zinc/13/34/86/1033133486.db2.gz QJPLVTRCJBPZBK-ZDUSSCGKSA-N 1 2 339.395 3.644 20 0 EHADLO CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(C)[nH+]cc3C)c2)c1C ZINC000535748384 1023604441 /nfs/dbraw/zinc/60/44/41/1023604441.db2.gz IWLDQNZDVGPDJK-UHFFFAOYSA-N 1 2 348.450 3.738 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000607471517 1033151614 /nfs/dbraw/zinc/15/16/14/1033151614.db2.gz QAFGUUYIFQUZCI-OWCLPIDISA-N 1 2 342.439 3.631 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000607471517 1033151622 /nfs/dbraw/zinc/15/16/22/1033151622.db2.gz QAFGUUYIFQUZCI-OWCLPIDISA-N 1 2 342.439 3.631 20 0 EHADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276988867 1023669777 /nfs/dbraw/zinc/66/97/77/1023669777.db2.gz SIHHXOWTTXKJBA-SFHVURJKSA-N 1 2 341.455 3.999 20 0 EHADLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276988867 1023669780 /nfs/dbraw/zinc/66/97/80/1023669780.db2.gz SIHHXOWTTXKJBA-SFHVURJKSA-N 1 2 341.455 3.999 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2c1 ZINC000342019909 1023761333 /nfs/dbraw/zinc/76/13/33/1023761333.db2.gz NQPDCHKHJMKOMU-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342027645 1023777497 /nfs/dbraw/zinc/77/74/97/1023777497.db2.gz XCMSGMNANRONAY-UONOGXRCSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342027645 1023777502 /nfs/dbraw/zinc/77/75/02/1023777502.db2.gz XCMSGMNANRONAY-UONOGXRCSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342027643 1023777666 /nfs/dbraw/zinc/77/76/66/1023777666.db2.gz XCMSGMNANRONAY-KGLIPLIRSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342027643 1023777671 /nfs/dbraw/zinc/77/76/71/1023777671.db2.gz XCMSGMNANRONAY-KGLIPLIRSA-N 1 2 346.215 3.871 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](CCOC)[C@H](C)c2ccccc2)s1 ZINC000602765847 1033165626 /nfs/dbraw/zinc/16/56/26/1033165626.db2.gz MUTZUNGOARVJJT-CQSZACIVSA-N 1 2 348.468 3.529 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](CCOC)[C@H](C)c2ccccc2)s1 ZINC000602765847 1033165630 /nfs/dbraw/zinc/16/56/30/1033165630.db2.gz MUTZUNGOARVJJT-CQSZACIVSA-N 1 2 348.468 3.529 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1C ZINC000610928491 1023877371 /nfs/dbraw/zinc/87/73/71/1023877371.db2.gz AQPGJLBTTFSUQT-SFHVURJKSA-N 1 2 336.391 3.649 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(F)(F)CC2)CCN1c1ccccc1C(F)(F)F ZINC000684625903 1023906736 /nfs/dbraw/zinc/90/67/36/1023906736.db2.gz MHZJRXIJDZBWFN-ZDUSSCGKSA-N 1 2 348.315 3.542 20 0 EHADLO CCCC[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000081957760 1023975506 /nfs/dbraw/zinc/97/55/06/1023975506.db2.gz TTWMGYNSTYQTFD-UHFFFAOYSA-N 1 2 345.270 3.693 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCCC3(CC3)C2)c1C ZINC000897786231 1033177216 /nfs/dbraw/zinc/17/72/16/1033177216.db2.gz KSZRASSNZQIOBK-OAHLLOKOSA-N 1 2 331.460 3.571 20 0 EHADLO COc1ccc2cccc(CC(=O)Nc3cccc4[nH+]ccn43)c2c1 ZINC000513942259 1023987409 /nfs/dbraw/zinc/98/74/09/1023987409.db2.gz MNSAVQZGZWEIBM-UHFFFAOYSA-N 1 2 331.375 3.677 20 0 EHADLO CCCOc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046468796 1033175666 /nfs/dbraw/zinc/17/56/66/1033175666.db2.gz SGDLIJDDPSUQGI-KRWDZBQOSA-N 1 2 344.459 3.908 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OC ZINC000434469541 1024057660 /nfs/dbraw/zinc/05/76/60/1024057660.db2.gz JEYFCUJDGNJFNG-AWEZNQCLSA-N 1 2 332.448 3.507 20 0 EHADLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287907 1033181198 /nfs/dbraw/zinc/18/11/98/1033181198.db2.gz DFXIHVPQRRGBDL-UHFFFAOYSA-N 1 2 327.340 3.691 20 0 EHADLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287907 1033181208 /nfs/dbraw/zinc/18/12/08/1033181208.db2.gz DFXIHVPQRRGBDL-UHFFFAOYSA-N 1 2 327.340 3.691 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000434498339 1024100865 /nfs/dbraw/zinc/10/08/65/1024100865.db2.gz SMKUFBAAALTFKR-UHFFFAOYSA-N 1 2 348.368 3.864 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541135 1024151697 /nfs/dbraw/zinc/15/16/97/1024151697.db2.gz CFFXEVAZFFWXBH-PBHICJAKSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541135 1024151707 /nfs/dbraw/zinc/15/17/07/1024151707.db2.gz CFFXEVAZFFWXBH-PBHICJAKSA-N 1 2 328.435 3.727 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2CCC(CC)(CC)C2)nc1-c1ccccc1 ZINC000840024186 1024175309 /nfs/dbraw/zinc/17/53/09/1024175309.db2.gz PISIMANJVGLQPL-UHFFFAOYSA-N 1 2 339.483 3.942 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2CCC(CC)(CC)C2)nc1-c1ccccc1 ZINC000840024186 1024175323 /nfs/dbraw/zinc/17/53/23/1024175323.db2.gz PISIMANJVGLQPL-UHFFFAOYSA-N 1 2 339.483 3.942 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2OC)[nH]1 ZINC000277206198 1024204329 /nfs/dbraw/zinc/20/43/29/1024204329.db2.gz JVWNPAZHHGKFPC-YNEHKIRRSA-N 1 2 332.448 3.747 20 0 EHADLO CSC1(C[NH2+]Cc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000449775985 1033193851 /nfs/dbraw/zinc/19/38/51/1033193851.db2.gz RNQPNAZCOQNLKG-UHFFFAOYSA-N 1 2 340.290 3.701 20 0 EHADLO CCC(C)(CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000121264874 1024218588 /nfs/dbraw/zinc/21/85/88/1024218588.db2.gz LEUJRQHPLBUNAI-UHFFFAOYSA-N 1 2 346.519 3.599 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)CC2CCCCC2)CC[NH2+]1 ZINC000505452877 1024237956 /nfs/dbraw/zinc/23/79/56/1024237956.db2.gz GIDQBAJFPWRYSN-QFBILLFUSA-N 1 2 344.499 3.775 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000443627177 1024260197 /nfs/dbraw/zinc/26/01/97/1024260197.db2.gz JDQFDOSEZAXSEP-UHFFFAOYSA-N 1 2 348.796 3.830 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCSC(C)(C)CC1 ZINC000434679732 1024273897 /nfs/dbraw/zinc/27/38/97/1024273897.db2.gz FDJUTHWOJLPYDQ-NSHDSACASA-N 1 2 328.428 3.509 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCSC(C)(C)CC1 ZINC000434679732 1024273913 /nfs/dbraw/zinc/27/39/13/1024273913.db2.gz FDJUTHWOJLPYDQ-NSHDSACASA-N 1 2 328.428 3.509 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000896884517 1024274468 /nfs/dbraw/zinc/27/44/68/1024274468.db2.gz MKWWKFFITLHTKF-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000896884517 1024274482 /nfs/dbraw/zinc/27/44/82/1024274482.db2.gz MKWWKFFITLHTKF-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639251 1024290570 /nfs/dbraw/zinc/29/05/70/1024290570.db2.gz NTBZKWWXJGZBBW-GDBMZVCRSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639251 1024290584 /nfs/dbraw/zinc/29/05/84/1024290584.db2.gz NTBZKWWXJGZBBW-GDBMZVCRSA-N 1 2 344.842 3.820 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000434687980 1024296179 /nfs/dbraw/zinc/29/61/79/1024296179.db2.gz GWIZQXDJLUPIJG-HOTGVXAUSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000434687980 1024296192 /nfs/dbraw/zinc/29/61/92/1024296192.db2.gz GWIZQXDJLUPIJG-HOTGVXAUSA-N 1 2 348.418 3.969 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4occc43)c[nH+]2)C[C@@H](C)O1 ZINC000330057331 1024304693 /nfs/dbraw/zinc/30/46/93/1024304693.db2.gz XHXOAACCFOUPAB-CPUCHLNUSA-N 1 2 327.428 3.778 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C(C3CC3)C3CC3)cn2c1 ZINC000051470271 1024309693 /nfs/dbraw/zinc/30/96/93/1024309693.db2.gz XZCVEHQYBSJJAM-UHFFFAOYSA-N 1 2 343.496 3.523 20 0 EHADLO CCCc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)sc1C ZINC000505490619 1024347329 /nfs/dbraw/zinc/34/73/29/1024347329.db2.gz FUNGMSVZGOQSMZ-QGZVFWFLSA-N 1 2 346.471 3.935 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+]C2(c3ccccc3Cl)CC2)s1 ZINC000602853252 1033208655 /nfs/dbraw/zinc/20/86/55/1033208655.db2.gz VZVSYCPZCCGVFS-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425182045 1024415437 /nfs/dbraw/zinc/41/54/37/1024415437.db2.gz YVZOCLCIHRHJND-WBVHZDCISA-N 1 2 345.512 3.922 20 0 EHADLO Fc1cc2nc(NCc3ccc(-n4cc[nH+]c4)cc3)sc2cc1F ZINC000346124155 1024425953 /nfs/dbraw/zinc/42/59/53/1024425953.db2.gz BXCOPJOWMHZGNU-UHFFFAOYSA-N 1 2 342.374 3.794 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC1 ZINC000505517711 1024429415 /nfs/dbraw/zinc/42/94/15/1024429415.db2.gz VGRPUVRYLKZPOH-GPMSIDNRSA-N 1 2 332.463 3.761 20 0 EHADLO c1[nH]c(-c2ccccc2)nc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897862165 1033211604 /nfs/dbraw/zinc/21/16/04/1033211604.db2.gz ACJCYDMLHQTWKL-UHFFFAOYSA-N 1 2 347.418 3.627 20 0 EHADLO CC[C@H](CSC)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228491 1024463906 /nfs/dbraw/zinc/46/39/06/1024463906.db2.gz KGZBNQYNCLAECJ-CVEARBPZSA-N 1 2 331.485 3.532 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000614657456 1024466223 /nfs/dbraw/zinc/46/62/23/1024466223.db2.gz MKJGAHUZFSDLQB-QZTJIDSGSA-N 1 2 339.483 4.000 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)[nH]1 ZINC000277288698 1024468404 /nfs/dbraw/zinc/46/84/04/1024468404.db2.gz RAINMADVNSETCK-AVGNSLFASA-N 1 2 333.455 3.935 20 0 EHADLO CC(C)CSCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425225254 1024469551 /nfs/dbraw/zinc/46/95/51/1024469551.db2.gz LZQBLDXCHZMESW-QGZVFWFLSA-N 1 2 345.512 3.827 20 0 EHADLO COCc1ncc2c(n1)CC[N@@H+](Cc1cccc(C3CCCC3)c1)C2 ZINC000895417233 1024487295 /nfs/dbraw/zinc/48/72/95/1024487295.db2.gz UTXWNYKADOLINP-UHFFFAOYSA-N 1 2 337.467 3.839 20 0 EHADLO COCc1ncc2c(n1)CC[N@H+](Cc1cccc(C3CCCC3)c1)C2 ZINC000895417233 1024487301 /nfs/dbraw/zinc/48/73/01/1024487301.db2.gz UTXWNYKADOLINP-UHFFFAOYSA-N 1 2 337.467 3.839 20 0 EHADLO CC(C)(C)c1csc(C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000280961395 1024492818 /nfs/dbraw/zinc/49/28/18/1024492818.db2.gz NKGIKBCFRYGCKK-UHFFFAOYSA-N 1 2 346.500 3.503 20 0 EHADLO COCC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccs1 ZINC000053100071 1024496716 /nfs/dbraw/zinc/49/67/16/1024496716.db2.gz WZCUITDDBFNBLD-UHFFFAOYSA-N 1 2 335.860 3.698 20 0 EHADLO COCC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccs1 ZINC000053100071 1024496724 /nfs/dbraw/zinc/49/67/24/1024496724.db2.gz WZCUITDDBFNBLD-UHFFFAOYSA-N 1 2 335.860 3.698 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)n1 ZINC000892056032 1024503652 /nfs/dbraw/zinc/50/36/52/1024503652.db2.gz YWHFZMPYNBULIC-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ncc(Br)cc2O)n1 ZINC000892056032 1024503662 /nfs/dbraw/zinc/50/36/62/1024503662.db2.gz YWHFZMPYNBULIC-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459164497 1024525288 /nfs/dbraw/zinc/52/52/88/1024525288.db2.gz CHTLLJIRWLOOCO-KRWDZBQOSA-N 1 2 348.878 3.655 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001143428009 1024540837 /nfs/dbraw/zinc/54/08/37/1024540837.db2.gz HBXNNKQBZZJLPH-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001143428009 1024540846 /nfs/dbraw/zinc/54/08/46/1024540846.db2.gz HBXNNKQBZZJLPH-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO CCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H](CC)c1ccccc1 ZINC000459179335 1024543421 /nfs/dbraw/zinc/54/34/21/1024543421.db2.gz NKDHDNZUHVLILH-SFHVURJKSA-N 1 2 328.460 3.536 20 0 EHADLO Cc1ccc(Cl)c(NC(=S)N[C@H](C)Cn2cc[nH+]c2)c1Cl ZINC000728443964 1024558676 /nfs/dbraw/zinc/55/86/76/1024558676.db2.gz MLCHFFOSTCZUAU-SNVBAGLBSA-N 1 2 343.283 3.873 20 0 EHADLO CCCCc1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000514572413 1024560851 /nfs/dbraw/zinc/56/08/51/1024560851.db2.gz OCQCNQQZKHEPNJ-LJQANCHMSA-N 1 2 342.487 3.922 20 0 EHADLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)c2cccc(F)c2n1 ZINC000895484517 1024562298 /nfs/dbraw/zinc/56/22/98/1024562298.db2.gz LLDSFDMJHJXLFP-UHFFFAOYSA-N 1 2 330.432 3.813 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc(-c3cccs3)cs2)c[nH+]1 ZINC000895530557 1024587460 /nfs/dbraw/zinc/58/74/60/1024587460.db2.gz DKYRJIGOYFSDLH-UHFFFAOYSA-N 1 2 332.454 3.750 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1c[nH]c2ccccc21 ZINC000346280930 1024599225 /nfs/dbraw/zinc/59/92/25/1024599225.db2.gz PABHBFHGIHUXQJ-WBVHZDCISA-N 1 2 349.434 3.736 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)c(F)c1 ZINC000895559477 1024612391 /nfs/dbraw/zinc/61/23/91/1024612391.db2.gz LHPARJKAAPJGPJ-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCn3cnc(C(F)(F)F)c3C2)c(F)c1 ZINC000895559477 1024612396 /nfs/dbraw/zinc/61/23/96/1024612396.db2.gz LHPARJKAAPJGPJ-UPHRSURJSA-N 1 2 343.299 3.709 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000665197605 1024614716 /nfs/dbraw/zinc/61/47/16/1024614716.db2.gz PHMWHFQXAVXUIJ-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000665197605 1024614721 /nfs/dbraw/zinc/61/47/21/1024614721.db2.gz PHMWHFQXAVXUIJ-PBHICJAKSA-N 1 2 327.428 3.547 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000474238639 1024616362 /nfs/dbraw/zinc/61/63/62/1024616362.db2.gz MDSFBMUYSZAFQR-OALUTQOASA-N 1 2 348.450 3.860 20 0 EHADLO Cn1nncc1C[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000342264069 1024620657 /nfs/dbraw/zinc/62/06/57/1024620657.db2.gz KAGVYGAKBVUBFH-UHFFFAOYSA-N 1 2 328.803 3.551 20 0 EHADLO CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001625933595 1024626088 /nfs/dbraw/zinc/62/60/88/1024626088.db2.gz ZEMGQGGJXFZGOM-CABCVRRESA-N 1 2 331.435 3.597 20 0 EHADLO CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001625933595 1024626097 /nfs/dbraw/zinc/62/60/97/1024626097.db2.gz ZEMGQGGJXFZGOM-CABCVRRESA-N 1 2 331.435 3.597 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000428292094 1024642731 /nfs/dbraw/zinc/64/27/31/1024642731.db2.gz AAASSRWMXVUMRJ-BBRMVZONSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000428292094 1024642737 /nfs/dbraw/zinc/64/27/37/1024642737.db2.gz AAASSRWMXVUMRJ-BBRMVZONSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C)CC3)cn2c1 ZINC000346355068 1024649455 /nfs/dbraw/zinc/64/94/55/1024649455.db2.gz HLASBFVPTJBHQO-CQSZACIVSA-N 1 2 331.485 3.525 20 0 EHADLO Oc1cccc2c1CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895633572 1024666379 /nfs/dbraw/zinc/66/63/79/1024666379.db2.gz FOMDWCHPSFHTNA-UHFFFAOYSA-N 1 2 328.359 3.512 20 0 EHADLO Oc1cccc2c1CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895633572 1024666390 /nfs/dbraw/zinc/66/63/90/1024666390.db2.gz FOMDWCHPSFHTNA-UHFFFAOYSA-N 1 2 328.359 3.512 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000511033763 1024677134 /nfs/dbraw/zinc/67/71/34/1024677134.db2.gz VOZLVMFXHYPYQK-INIZCTEOSA-N 1 2 329.488 3.905 20 0 EHADLO CCOc1cc(CCCNc2cc(C)[nH+]c(C3CC3)n2)ccc1OC ZINC000346445151 1024739655 /nfs/dbraw/zinc/73/96/55/1024739655.db2.gz XUXILGSTETTZNO-UHFFFAOYSA-N 1 2 341.455 3.536 20 0 EHADLO Cn1nc2c(c1C[NH2+]C(C)(C)c1nc3cc(Cl)ccc3o1)CCC2 ZINC000895698420 1024748306 /nfs/dbraw/zinc/74/83/06/1024748306.db2.gz DWMXKKFSDIFOFA-UHFFFAOYSA-N 1 2 344.846 3.728 20 0 EHADLO C[C@@]12CN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000425319380 1024748390 /nfs/dbraw/zinc/74/83/90/1024748390.db2.gz VNMVPPLXVIZUAA-XPEFGHIFSA-N 1 2 347.462 3.602 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000346424525 1024751231 /nfs/dbraw/zinc/75/12/31/1024751231.db2.gz UEADUXCWGKYHLS-FGTMMUONSA-N 1 2 335.492 3.544 20 0 EHADLO CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1c[nH+]cn1C(C)C ZINC000425333651 1024792338 /nfs/dbraw/zinc/79/23/38/1024792338.db2.gz FXYCCASJRSGTSB-UHFFFAOYSA-N 1 2 348.878 3.968 20 0 EHADLO Cc1nc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)nc2ccccc12 ZINC000514853990 1024804752 /nfs/dbraw/zinc/80/47/52/1024804752.db2.gz RWNHGWPZLHIIIE-NRFANRHFSA-N 1 2 347.462 3.932 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000171542388 1033235659 /nfs/dbraw/zinc/23/56/59/1033235659.db2.gz KFWFJHHIYCSZCM-GJZGRUSLSA-N 1 2 331.485 3.619 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958822 1024858907 /nfs/dbraw/zinc/85/89/07/1024858907.db2.gz KVLJQUBNIBBFRM-RTBURBONSA-N 1 2 342.487 3.683 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)n2)C1(C)C ZINC001167958822 1024858923 /nfs/dbraw/zinc/85/89/23/1024858923.db2.gz KVLJQUBNIBBFRM-RTBURBONSA-N 1 2 342.487 3.683 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000157279779 1024863511 /nfs/dbraw/zinc/86/35/11/1024863511.db2.gz YPGIFOBTAVDRHF-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H](C)Cc1ccsc1 ZINC000548628177 1024870922 /nfs/dbraw/zinc/87/09/22/1024870922.db2.gz OEQJAXBSJNJBQV-HNNXBMFYSA-N 1 2 341.480 3.726 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC000342322169 1024877778 /nfs/dbraw/zinc/87/77/78/1024877778.db2.gz GYKYNDFXYINEOH-VIFPVBQESA-N 1 2 347.362 3.686 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc(OC(F)F)cc3)ccc2[nH+]1 ZINC000346547563 1024883219 /nfs/dbraw/zinc/88/32/19/1024883219.db2.gz NSQARQOJJFRYRF-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435410032 1024889407 /nfs/dbraw/zinc/88/94/07/1024889407.db2.gz GCSTYNXLEJPWHD-UHFFFAOYSA-N 1 2 328.460 3.744 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOCC12CCCC2 ZINC000536484718 1024927111 /nfs/dbraw/zinc/92/71/11/1024927111.db2.gz FGBUPTZRNRWLEZ-UHFFFAOYSA-N 1 2 343.423 3.755 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOCC12CCCC2 ZINC000536484718 1024927113 /nfs/dbraw/zinc/92/71/13/1024927113.db2.gz FGBUPTZRNRWLEZ-UHFFFAOYSA-N 1 2 343.423 3.755 20 0 EHADLO CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000563216609 1024932418 /nfs/dbraw/zinc/93/24/18/1024932418.db2.gz KJZSJEVGAMWLMX-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000563216609 1024932427 /nfs/dbraw/zinc/93/24/27/1024932427.db2.gz KJZSJEVGAMWLMX-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474421080 1024932388 /nfs/dbraw/zinc/93/23/88/1024932388.db2.gz KIOUYQHDNANLNQ-RDJZCZTQSA-N 1 2 339.483 3.948 20 0 EHADLO CC[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474421080 1024932401 /nfs/dbraw/zinc/93/24/01/1024932401.db2.gz KIOUYQHDNANLNQ-RDJZCZTQSA-N 1 2 339.483 3.948 20 0 EHADLO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)c(F)c1 ZINC000536489663 1024957987 /nfs/dbraw/zinc/95/79/87/1024957987.db2.gz BUPUNPIHTORPFM-UHFFFAOYSA-N 1 2 332.806 3.500 20 0 EHADLO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)c(F)c1 ZINC000536489663 1024957993 /nfs/dbraw/zinc/95/79/93/1024957993.db2.gz BUPUNPIHTORPFM-UHFFFAOYSA-N 1 2 332.806 3.500 20 0 EHADLO Cc1cccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000346627050 1024967116 /nfs/dbraw/zinc/96/71/16/1024967116.db2.gz DXEDDINRVYQOSG-OAHLLOKOSA-N 1 2 331.410 3.547 20 0 EHADLO COc1cccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)n1 ZINC001211885644 1024976618 /nfs/dbraw/zinc/97/66/18/1024976618.db2.gz RIMBNRACBWWIFK-ZBFHGGJFSA-N 1 2 336.395 3.696 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(C)ns2)c(SC)cc1OC ZINC000638111913 1024981322 /nfs/dbraw/zinc/98/13/22/1024981322.db2.gz WJBCVZLCUZZBLC-UHFFFAOYSA-N 1 2 338.498 3.823 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(C)ns2)c(SC)cc1OC ZINC000638111913 1024981335 /nfs/dbraw/zinc/98/13/35/1024981335.db2.gz WJBCVZLCUZZBLC-UHFFFAOYSA-N 1 2 338.498 3.823 20 0 EHADLO COc1cccc(NC(=O)NC2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000346642610 1024986331 /nfs/dbraw/zinc/98/63/31/1024986331.db2.gz LZGZIYQVAVUFGC-UHFFFAOYSA-N 1 2 340.427 3.635 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC000277405434 1024989197 /nfs/dbraw/zinc/98/91/97/1024989197.db2.gz LDQILJBCEITYCI-BDAKNGLRSA-N 1 2 343.294 3.993 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1C ZINC000895935985 1024993734 /nfs/dbraw/zinc/99/37/34/1024993734.db2.gz NIHNEOGSZOPCKI-UHFFFAOYSA-N 1 2 342.439 3.574 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000281390872 1024993883 /nfs/dbraw/zinc/99/38/83/1024993883.db2.gz WSYFNRKXFNBVSJ-OAHLLOKOSA-N 1 2 328.441 3.864 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000281390872 1024993899 /nfs/dbraw/zinc/99/38/99/1024993899.db2.gz WSYFNRKXFNBVSJ-OAHLLOKOSA-N 1 2 328.441 3.864 20 0 EHADLO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474468489 1025016346 /nfs/dbraw/zinc/01/63/46/1025016346.db2.gz BDDWJUWZBPYPLL-MJBXVCDLSA-N 1 2 337.460 3.516 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cn1 ZINC000281424888 1025021919 /nfs/dbraw/zinc/02/19/19/1025021919.db2.gz IZVAXHVVXNBORM-UHFFFAOYSA-N 1 2 341.352 3.772 20 0 EHADLO CCC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508305179 1025023844 /nfs/dbraw/zinc/02/38/44/1025023844.db2.gz YGVQITWKYYKTCG-DLBZAZTESA-N 1 2 332.488 3.554 20 0 EHADLO CCC[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508305179 1025023855 /nfs/dbraw/zinc/02/38/55/1025023855.db2.gz YGVQITWKYYKTCG-DLBZAZTESA-N 1 2 332.488 3.554 20 0 EHADLO COCC1C[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000895971167 1025027839 /nfs/dbraw/zinc/02/78/39/1025027839.db2.gz MDPPHXBNKGLQEN-UHFFFAOYSA-N 1 2 342.386 3.907 20 0 EHADLO COc1ccc(N(Cc2cccs2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000346730892 1025047247 /nfs/dbraw/zinc/04/72/47/1025047247.db2.gz HZBUDPTZMRPAAD-UHFFFAOYSA-N 1 2 341.436 3.577 20 0 EHADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639186370 1025059166 /nfs/dbraw/zinc/05/91/66/1025059166.db2.gz LIVKROUCNGWVCA-JLTOFOAXSA-N 1 2 346.434 3.757 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000896008536 1025069102 /nfs/dbraw/zinc/06/91/02/1025069102.db2.gz FQNXSQGMAMDMOC-UHFFFAOYSA-N 1 2 337.467 3.947 20 0 EHADLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346736628 1025070826 /nfs/dbraw/zinc/07/08/26/1025070826.db2.gz MCJJUANUOXWNFR-MGPUTAFESA-N 1 2 331.419 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](c2cccnc2)C(C)C)c1C ZINC000435696367 1025086645 /nfs/dbraw/zinc/08/66/45/1025086645.db2.gz JDJICWDEWKWAAN-GOSISDBHSA-N 1 2 341.455 3.500 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c[nH+]1 ZINC000896048521 1025099982 /nfs/dbraw/zinc/09/99/82/1025099982.db2.gz FXRGVPNEGNSZCU-UHFFFAOYSA-N 1 2 343.446 3.547 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435767959 1025128587 /nfs/dbraw/zinc/12/85/87/1025128587.db2.gz MVRGOZSRTSCOCY-CALCHBBNSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435767959 1025128597 /nfs/dbraw/zinc/12/85/97/1025128597.db2.gz MVRGOZSRTSCOCY-CALCHBBNSA-N 1 2 341.451 3.883 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582065924 1025149519 /nfs/dbraw/zinc/14/95/19/1025149519.db2.gz KDFYVZLFOZQFCU-MAUKXSAKSA-N 1 2 331.435 3.699 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H](c3ccccc3)CC2)c[nH+]1 ZINC000896127001 1025162830 /nfs/dbraw/zinc/16/28/30/1025162830.db2.gz RWLHGRJWJRBMAA-SFHVURJKSA-N 1 2 325.456 3.723 20 0 EHADLO COc1ccncc1-c1noc([C@H]2CCC[C@@H](c3ccccc3)[NH2+]2)n1 ZINC001211886237 1025169540 /nfs/dbraw/zinc/16/95/40/1025169540.db2.gz XWBRMTKPTWDEJX-JKSUJKDBSA-N 1 2 336.395 3.696 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000152102401 1025193721 /nfs/dbraw/zinc/19/37/21/1025193721.db2.gz RKQLCXNCSXIGMZ-CQSZACIVSA-N 1 2 336.391 3.979 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccn3ccccc23)c1)[NH+]1CCOCC1 ZINC000896172710 1025205109 /nfs/dbraw/zinc/20/51/09/1025205109.db2.gz HADPPVSMCDCOJX-MRXNPFEDSA-N 1 2 349.434 3.585 20 0 EHADLO CCCOc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)cc1OCCC ZINC000346849438 1025219176 /nfs/dbraw/zinc/21/91/76/1025219176.db2.gz WSZVCQXMQRPVEF-UHFFFAOYSA-N 1 2 342.439 3.571 20 0 EHADLO CCc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000342408472 1025233389 /nfs/dbraw/zinc/23/33/89/1025233389.db2.gz NAHGXWXGSZIKDG-MRXNPFEDSA-N 1 2 329.469 3.699 20 0 EHADLO CCc1cnc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000342408472 1025233394 /nfs/dbraw/zinc/23/33/94/1025233394.db2.gz NAHGXWXGSZIKDG-MRXNPFEDSA-N 1 2 329.469 3.699 20 0 EHADLO CSC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000602924486 1033268366 /nfs/dbraw/zinc/26/83/66/1033268366.db2.gz WVUDPZISARCCMH-UHFFFAOYSA-N 1 2 347.484 3.593 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@@H]3COc4cccc(Cl)c43)cnc21 ZINC000342409764 1025244073 /nfs/dbraw/zinc/24/40/73/1025244073.db2.gz AFFZTTIYYKOJCY-OAHLLOKOSA-N 1 2 342.830 3.889 20 0 EHADLO Cc1csc2ncnc(NCc3cc[nH+]c(N4CCCC4)c3)c12 ZINC000285099402 1025247730 /nfs/dbraw/zinc/24/77/30/1025247730.db2.gz MFMKCRVECQQTKB-UHFFFAOYSA-N 1 2 325.441 3.607 20 0 EHADLO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000346874346 1025268399 /nfs/dbraw/zinc/26/83/99/1025268399.db2.gz UBFOBJAYJWCEDP-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1ccsc1C[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000346874346 1025268413 /nfs/dbraw/zinc/26/84/13/1025268413.db2.gz UBFOBJAYJWCEDP-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000281618362 1025285045 /nfs/dbraw/zinc/28/50/45/1025285045.db2.gz NLKBXBDUDFSLMZ-MJGOQNOKSA-N 1 2 339.483 3.957 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1N1CCc2ccccc21 ZINC000346611533 1025333778 /nfs/dbraw/zinc/33/37/78/1025333778.db2.gz NARDPMOESQKLSE-UHFFFAOYSA-N 1 2 332.407 3.606 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C\c1ccccc1F ZINC000346954337 1025346206 /nfs/dbraw/zinc/34/62/06/1025346206.db2.gz LCHZQQDXSSUCFE-TWGQIWQCSA-N 1 2 343.446 3.927 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)o1 ZINC000425454174 1025352832 /nfs/dbraw/zinc/35/28/32/1025352832.db2.gz AHTARHFRBGFDTC-AWEZNQCLSA-N 1 2 337.464 3.669 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)o1 ZINC000425454174 1025352844 /nfs/dbraw/zinc/35/28/44/1025352844.db2.gz AHTARHFRBGFDTC-AWEZNQCLSA-N 1 2 337.464 3.669 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c[nH+]1 ZINC000896341652 1025365986 /nfs/dbraw/zinc/36/59/86/1025365986.db2.gz BHTIUQXJXZCZIS-HXUWFJFHSA-N 1 2 325.456 3.507 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+](Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425465054 1025379028 /nfs/dbraw/zinc/37/90/28/1025379028.db2.gz YULBRRKWUGFEDZ-NSHDSACASA-N 1 2 325.334 3.916 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+](Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425465054 1025379044 /nfs/dbraw/zinc/37/90/44/1025379044.db2.gz YULBRRKWUGFEDZ-NSHDSACASA-N 1 2 325.334 3.916 20 0 EHADLO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000347002568 1025380819 /nfs/dbraw/zinc/38/08/19/1025380819.db2.gz VXKRVKIFHFMCRL-IBGZPJMESA-N 1 2 335.382 3.690 20 0 EHADLO Cc1cccc(COc2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000347002572 1025381395 /nfs/dbraw/zinc/38/13/95/1025381395.db2.gz VZQTVBVMEQAMFH-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO CC(C)[C@H](O)[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000664529221 1025410004 /nfs/dbraw/zinc/41/00/04/1025410004.db2.gz AGBTUBOWIPEEPC-PMACEKPBSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@H](O)[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000664529221 1025410014 /nfs/dbraw/zinc/41/00/14/1025410014.db2.gz AGBTUBOWIPEEPC-PMACEKPBSA-N 1 2 340.471 3.637 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000324381647 1025418079 /nfs/dbraw/zinc/41/80/79/1025418079.db2.gz NJIDPCKFOMHANC-GJZGRUSLSA-N 1 2 328.460 3.815 20 0 EHADLO CC(C)CC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000442733123 1025443648 /nfs/dbraw/zinc/44/36/48/1025443648.db2.gz XXODQQMAONSDJH-INIZCTEOSA-N 1 2 332.463 3.857 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCc1ccc(Cl)cc1 ZINC000347060345 1025471154 /nfs/dbraw/zinc/47/11/54/1025471154.db2.gz XYRSHYGYIVACOE-UHFFFAOYSA-N 1 2 345.874 3.854 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000574513260 1033287114 /nfs/dbraw/zinc/28/71/14/1033287114.db2.gz GVLZKWORHDZRTE-MRXNPFEDSA-N 1 2 329.448 3.842 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000060942997 1033290919 /nfs/dbraw/zinc/29/09/19/1033290919.db2.gz IOIGCIKPFBUBHV-CQSZACIVSA-N 1 2 337.872 3.807 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)nc2c1 ZINC000436254702 1025513057 /nfs/dbraw/zinc/51/30/57/1025513057.db2.gz UNMWXAXGSJMZHY-UHFFFAOYSA-N 1 2 349.413 3.545 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)[nH]c2c1 ZINC000436254702 1025513065 /nfs/dbraw/zinc/51/30/65/1025513065.db2.gz UNMWXAXGSJMZHY-UHFFFAOYSA-N 1 2 349.413 3.545 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000060942997 1033290931 /nfs/dbraw/zinc/29/09/31/1033290931.db2.gz IOIGCIKPFBUBHV-CQSZACIVSA-N 1 2 337.872 3.807 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Sc3ccccn3)o2)CC2(CCC2)O1 ZINC000648074296 1025513832 /nfs/dbraw/zinc/51/38/32/1025513832.db2.gz NBMFXLJTSCNKNL-CQSZACIVSA-N 1 2 330.453 3.969 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Sc3ccccn3)o2)CC2(CCC2)O1 ZINC000648074296 1025513845 /nfs/dbraw/zinc/51/38/45/1025513845.db2.gz NBMFXLJTSCNKNL-CQSZACIVSA-N 1 2 330.453 3.969 20 0 EHADLO C[C@H](CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000347100372 1025526001 /nfs/dbraw/zinc/52/60/01/1025526001.db2.gz JGLBBBYERZPYLW-CQSZACIVSA-N 1 2 329.419 3.511 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c(C)c1 ZINC000657365137 1025534765 /nfs/dbraw/zinc/53/47/65/1025534765.db2.gz GEWVMBLCMPJDLS-GOSISDBHSA-N 1 2 335.394 3.885 20 0 EHADLO Clc1cc2c(s1)CC[N@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000521626019 1025551314 /nfs/dbraw/zinc/55/13/14/1025551314.db2.gz COGQMIMUBSCPTD-UHFFFAOYSA-N 1 2 330.844 3.541 20 0 EHADLO Clc1cc2c(s1)CC[N@@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000521626019 1025551323 /nfs/dbraw/zinc/55/13/23/1025551323.db2.gz COGQMIMUBSCPTD-UHFFFAOYSA-N 1 2 330.844 3.541 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000442882376 1025563761 /nfs/dbraw/zinc/56/37/61/1025563761.db2.gz QYLMFKRIPAZUSD-UHFFFAOYSA-N 1 2 339.361 3.817 20 0 EHADLO Cc1cccc(-c2nc(CC(=O)Nc3cccc4[nH+]ccn43)cs2)c1 ZINC000607714792 1033291304 /nfs/dbraw/zinc/29/13/04/1033291304.db2.gz FOBGNZQXVMGIFN-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CC1(Cc2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCCC1 ZINC000685404050 1033293023 /nfs/dbraw/zinc/29/30/23/1033293023.db2.gz SQFFUXACAUOIBM-QGZVFWFLSA-N 1 2 341.455 3.766 20 0 EHADLO CC1(Cc2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCCC1 ZINC000685404050 1033293038 /nfs/dbraw/zinc/29/30/38/1033293038.db2.gz SQFFUXACAUOIBM-QGZVFWFLSA-N 1 2 341.455 3.766 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3noc4ccccc34)c12 ZINC000347156973 1025592892 /nfs/dbraw/zinc/59/28/92/1025592892.db2.gz DUDPVZPFXVMJNA-UHFFFAOYSA-N 1 2 342.362 3.569 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1csc2ccccc12 ZINC000347163234 1025600578 /nfs/dbraw/zinc/60/05/78/1025600578.db2.gz INWNPSKNCZQDFQ-UHFFFAOYSA-N 1 2 339.464 3.635 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(Br)s2)[nH]1 ZINC000277520113 1025630493 /nfs/dbraw/zinc/63/04/93/1025630493.db2.gz XKFVCVDJQLKYOA-DTWKUNHWSA-N 1 2 343.294 3.993 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc3ccncc31)C2 ZINC000530299601 1025612167 /nfs/dbraw/zinc/61/21/67/1025612167.db2.gz WDFQORSHKPDQGZ-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc3ccncc31)CC2 ZINC000530299601 1025612176 /nfs/dbraw/zinc/61/21/76/1025612176.db2.gz WDFQORSHKPDQGZ-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000347180649 1025624511 /nfs/dbraw/zinc/62/45/11/1025624511.db2.gz VEYURWFWGYKXOJ-UHFFFAOYSA-N 1 2 341.499 3.784 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ncccc1SCC ZINC000451181743 1025648495 /nfs/dbraw/zinc/64/84/95/1025648495.db2.gz HWZNADYPNXACQG-UHFFFAOYSA-N 1 2 346.500 3.505 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056206 1025696658 /nfs/dbraw/zinc/69/66/58/1025696658.db2.gz FKEITTYRBUWLDV-ZWKOTPCHSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C1CCCCC1 ZINC000475056206 1025696667 /nfs/dbraw/zinc/69/66/67/1025696667.db2.gz FKEITTYRBUWLDV-ZWKOTPCHSA-N 1 2 341.854 3.794 20 0 EHADLO COc1ccccc1[C@@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000530366390 1025709470 /nfs/dbraw/zinc/70/94/70/1025709470.db2.gz ZPVXZJCAGJULHG-OWCLPIDISA-N 1 2 341.455 3.877 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccn1 ZINC000548721533 1025756548 /nfs/dbraw/zinc/75/65/48/1025756548.db2.gz RKDOLRBJLMJHAQ-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccn1 ZINC000548721533 1025756562 /nfs/dbraw/zinc/75/65/62/1025756562.db2.gz RKDOLRBJLMJHAQ-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000347256576 1025766081 /nfs/dbraw/zinc/76/60/81/1025766081.db2.gz KVPLLPITZSORPY-QGZVFWFLSA-N 1 2 330.432 3.546 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)s1 ZINC000347256576 1025766091 /nfs/dbraw/zinc/76/60/91/1025766091.db2.gz KVPLLPITZSORPY-QGZVFWFLSA-N 1 2 330.432 3.546 20 0 EHADLO COC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425566613 1025767841 /nfs/dbraw/zinc/76/78/41/1025767841.db2.gz HVSIQSKGRSIEIN-LSDHHAIUSA-N 1 2 341.455 3.744 20 0 EHADLO CC(=O)Nc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1C ZINC000436497001 1025781970 /nfs/dbraw/zinc/78/19/70/1025781970.db2.gz RDURKOWOWWSNCL-UHFFFAOYSA-N 1 2 326.400 3.918 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1(F)F ZINC000425578152 1025803925 /nfs/dbraw/zinc/80/39/25/1025803925.db2.gz VOBDXCMFWHUCRV-NHYWBVRUSA-N 1 2 331.366 3.726 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1cc(-c3cccc(Cl)c3)ncn1)C2 ZINC000896652485 1025806861 /nfs/dbraw/zinc/80/68/61/1025806861.db2.gz AJVGTPPYZGQZAK-UHFFFAOYSA-N 1 2 339.830 3.576 20 0 EHADLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000444159044 1025806781 /nfs/dbraw/zinc/80/67/81/1025806781.db2.gz IFIAWUBWKPTDBM-AWEZNQCLSA-N 1 2 338.879 3.521 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCSC1 ZINC000425579097 1025817733 /nfs/dbraw/zinc/81/77/33/1025817733.db2.gz WRNRVTGGTSSVTH-AWEZNQCLSA-N 1 2 341.480 3.968 20 0 EHADLO COc1ccc2c(c1)CCCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000346085340 1025843394 /nfs/dbraw/zinc/84/33/94/1025843394.db2.gz RRTLVNPMBHTPFO-UHFFFAOYSA-N 1 2 347.418 3.864 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2cccs2)o1 ZINC000119767274 1025907979 /nfs/dbraw/zinc/90/79/79/1025907979.db2.gz YSYCNDBOHDYFTP-GHMZBOCLSA-N 1 2 343.408 3.939 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000193997368 1025922135 /nfs/dbraw/zinc/92/21/35/1025922135.db2.gz GPGWSMUNELAPLN-GFCCVEGCSA-N 1 2 336.382 3.518 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000193997368 1025922148 /nfs/dbraw/zinc/92/21/48/1025922148.db2.gz GPGWSMUNELAPLN-GFCCVEGCSA-N 1 2 336.382 3.518 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1cc2ccccc2s1 ZINC000451397670 1025922512 /nfs/dbraw/zinc/92/25/12/1025922512.db2.gz CTVMFUUESAHSAQ-UHFFFAOYSA-N 1 2 339.464 3.635 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 ZINC000639533606 1025947343 /nfs/dbraw/zinc/94/73/43/1025947343.db2.gz PHOSXGQQOFEUIB-OKILXGFUSA-N 1 2 328.378 3.760 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 ZINC000639533606 1025947356 /nfs/dbraw/zinc/94/73/56/1025947356.db2.gz PHOSXGQQOFEUIB-OKILXGFUSA-N 1 2 328.378 3.760 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000474956592 1025951060 /nfs/dbraw/zinc/95/10/60/1025951060.db2.gz VMBJRAKHHMDQLZ-FXAWDEMLSA-N 1 2 341.451 3.828 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000474956592 1025951068 /nfs/dbraw/zinc/95/10/68/1025951068.db2.gz VMBJRAKHHMDQLZ-FXAWDEMLSA-N 1 2 341.451 3.828 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cnc1Cl ZINC000760057243 1025957645 /nfs/dbraw/zinc/95/76/45/1025957645.db2.gz XTRRRDUHQLLDON-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO COCCOc1cc(C)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119785415 1025983060 /nfs/dbraw/zinc/98/30/60/1025983060.db2.gz KGZWVWIYWHKYDV-UHFFFAOYSA-N 1 2 337.423 3.818 20 0 EHADLO COc1ccncc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000287246326 1026005218 /nfs/dbraw/zinc/00/52/18/1026005218.db2.gz KEPCLCTVWUVJBS-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)o1 ZINC000522156685 1026040989 /nfs/dbraw/zinc/04/09/89/1026040989.db2.gz WNKXVXWAHFKCMR-CYBMUJFWSA-N 1 2 327.384 3.539 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC2 ZINC000436700181 1026060814 /nfs/dbraw/zinc/06/08/14/1026060814.db2.gz YIFUKIBQVVHPKI-UHFFFAOYSA-N 1 2 341.361 3.619 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC2 ZINC000436700181 1026060830 /nfs/dbraw/zinc/06/08/30/1026060830.db2.gz YIFUKIBQVVHPKI-UHFFFAOYSA-N 1 2 341.361 3.619 20 0 EHADLO c1cn(-c2ccc(Cc3noc([C@H]4CCCCS4)n3)cc2)c[nH+]1 ZINC000896824188 1026096066 /nfs/dbraw/zinc/09/60/66/1026096066.db2.gz RSRQWHLGNCZUHU-OAHLLOKOSA-N 1 2 326.425 3.804 20 0 EHADLO Brc1cccc([C@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000451562696 1026134069 /nfs/dbraw/zinc/13/40/69/1026134069.db2.gz CVMNRJUGZUUNMD-ZDUSSCGKSA-N 1 2 348.244 3.699 20 0 EHADLO Brc1cccc([C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000451562696 1026134074 /nfs/dbraw/zinc/13/40/74/1026134074.db2.gz CVMNRJUGZUUNMD-ZDUSSCGKSA-N 1 2 348.244 3.699 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000511115189 1026157934 /nfs/dbraw/zinc/15/79/34/1026157934.db2.gz LEXLSFIGTXRKJR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000511115189 1026157941 /nfs/dbraw/zinc/15/79/41/1026157941.db2.gz LEXLSFIGTXRKJR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccc(F)cc1 ZINC000096981348 1026187078 /nfs/dbraw/zinc/18/70/78/1026187078.db2.gz VPNUYLNGZALQGK-UHFFFAOYSA-N 1 2 347.390 3.645 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccc(F)cc1 ZINC000096981348 1026187087 /nfs/dbraw/zinc/18/70/87/1026187087.db2.gz VPNUYLNGZALQGK-UHFFFAOYSA-N 1 2 347.390 3.645 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+]Cc3cccc(OC4CC4)c3F)nc21 ZINC000657423616 1026208789 /nfs/dbraw/zinc/20/87/89/1026208789.db2.gz ZZJZNQIKFFGQQW-UHFFFAOYSA-N 1 2 325.387 3.841 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C)onc1-c1ccccc1 ZINC001141988403 1026216794 /nfs/dbraw/zinc/21/67/94/1026216794.db2.gz UNZMCSHPPTZEIL-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c(C)onc1-c1ccccc1 ZINC001141988403 1026216803 /nfs/dbraw/zinc/21/68/03/1026216803.db2.gz UNZMCSHPPTZEIL-KRWDZBQOSA-N 1 2 328.412 3.568 20 0 EHADLO CCc1ccc(C(C)(C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000530719345 1026243275 /nfs/dbraw/zinc/24/32/75/1026243275.db2.gz GAXWGJIZBRAARC-UHFFFAOYSA-N 1 2 335.451 3.799 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCCc1ccc(C2CC2)cc1 ZINC000897048137 1026270030 /nfs/dbraw/zinc/27/00/30/1026270030.db2.gz BIYMEQGYALRRDL-UHFFFAOYSA-N 1 2 325.456 3.632 20 0 EHADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(OC(C)(C)C)CC2)o1 ZINC000152515692 1026277567 /nfs/dbraw/zinc/27/75/67/1026277567.db2.gz GEAFURPPTDIWGA-UHFFFAOYSA-N 1 2 343.471 3.748 20 0 EHADLO c1[nH+]cn2c1c(N1CC[C@H]3CC[C@]31c1cccnc1)nc1ccccc12 ZINC000897071919 1026299396 /nfs/dbraw/zinc/29/93/96/1026299396.db2.gz ZVJUOGNTBXXWDP-QVKFZJNVSA-N 1 2 341.418 3.793 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000451817723 1026307712 /nfs/dbraw/zinc/30/77/12/1026307712.db2.gz SPGYNKNVSWDQDP-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000451817723 1026307723 /nfs/dbraw/zinc/30/77/23/1026307723.db2.gz SPGYNKNVSWDQDP-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835235 1026317336 /nfs/dbraw/zinc/31/73/36/1026317336.db2.gz JUPMBKTZHURUPD-VQIMIIECSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835235 1026317346 /nfs/dbraw/zinc/31/73/46/1026317346.db2.gz JUPMBKTZHURUPD-VQIMIIECSA-N 1 2 338.451 3.854 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848516 1026323839 /nfs/dbraw/zinc/32/38/39/1026323839.db2.gz ZQFFIMKFKOWBHI-FQEVSTJZSA-N 1 2 338.451 3.774 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848516 1026323849 /nfs/dbraw/zinc/32/38/49/1026323849.db2.gz ZQFFIMKFKOWBHI-FQEVSTJZSA-N 1 2 338.451 3.774 20 0 EHADLO COc1ccc(OC)c([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000192752118 1026335914 /nfs/dbraw/zinc/33/59/14/1026335914.db2.gz SFPYSKPRODXYST-AWEZNQCLSA-N 1 2 327.428 3.872 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1Cl ZINC000122289367 1026345211 /nfs/dbraw/zinc/34/52/11/1026345211.db2.gz GYRRDKNEUAFEKD-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1Cl ZINC000122289367 1026345216 /nfs/dbraw/zinc/34/52/16/1026345216.db2.gz GYRRDKNEUAFEKD-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cncn1C ZINC000167835906 1026379330 /nfs/dbraw/zinc/37/93/30/1026379330.db2.gz WXOSVOWRRXUFQJ-UHFFFAOYSA-N 1 2 331.423 3.739 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000451965614 1026403772 /nfs/dbraw/zinc/40/37/72/1026403772.db2.gz CZOAZLJCIZMEFG-IBGZPJMESA-N 1 2 347.455 3.745 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000451965614 1026403776 /nfs/dbraw/zinc/40/37/76/1026403776.db2.gz CZOAZLJCIZMEFG-IBGZPJMESA-N 1 2 347.455 3.745 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000342591519 1026407561 /nfs/dbraw/zinc/40/75/61/1026407561.db2.gz STFZREGBGYSTGL-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000530951258 1026442261 /nfs/dbraw/zinc/44/22/61/1026442261.db2.gz AZXVYYQJKRLKRR-UHFFFAOYSA-N 1 2 345.270 3.645 20 0 EHADLO CC(C)(C)[N@H+]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000530951258 1026442268 /nfs/dbraw/zinc/44/22/68/1026442268.db2.gz AZXVYYQJKRLKRR-UHFFFAOYSA-N 1 2 345.270 3.645 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000475366456 1026522217 /nfs/dbraw/zinc/52/22/17/1026522217.db2.gz DRBJDPJCRPGTAK-LJQANCHMSA-N 1 2 348.450 3.998 20 0 EHADLO Cc1ncsc1-c1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000657458578 1026559685 /nfs/dbraw/zinc/55/96/85/1026559685.db2.gz FZNNIBMVPCFPSZ-UHFFFAOYSA-N 1 2 341.484 3.755 20 0 EHADLO O=C(C[C@H]1C=CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452206819 1026574351 /nfs/dbraw/zinc/57/43/51/1026574351.db2.gz LZIDSJHNJREOJM-AWEZNQCLSA-N 1 2 329.831 3.888 20 0 EHADLO CCC(C)(C)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000684917976 1026594143 /nfs/dbraw/zinc/59/41/43/1026594143.db2.gz JBJAHSMCNOMUHH-UHFFFAOYSA-N 1 2 337.895 3.528 20 0 EHADLO CCC(C)(C)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000684917976 1026594146 /nfs/dbraw/zinc/59/41/46/1026594146.db2.gz JBJAHSMCNOMUHH-UHFFFAOYSA-N 1 2 337.895 3.528 20 0 EHADLO CCn1cncc1C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000417980013 1026629743 /nfs/dbraw/zinc/62/97/43/1026629743.db2.gz HYHLWBTVWJHALQ-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO CCn1cncc1C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000417980013 1026629752 /nfs/dbraw/zinc/62/97/52/1026629752.db2.gz HYHLWBTVWJHALQ-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000452303365 1026644555 /nfs/dbraw/zinc/64/45/55/1026644555.db2.gz XLCUKXJUUZMGQB-CQSZACIVSA-N 1 2 333.382 3.736 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000657477020 1026659626 /nfs/dbraw/zinc/65/96/26/1026659626.db2.gz OQWMRPLOYUQHEM-UHFFFAOYSA-N 1 2 329.835 3.593 20 0 EHADLO O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1c[nH+]c2n1CCCC2 ZINC000452335358 1026667482 /nfs/dbraw/zinc/66/74/82/1026667482.db2.gz ZAKUPTXTIMWOEU-UHFFFAOYSA-N 1 2 328.803 3.535 20 0 EHADLO c1csc([C@@H](CNc2ccc3ccccc3n2)[NH+]2CCOCC2)c1 ZINC000301071279 1026675217 /nfs/dbraw/zinc/67/52/17/1026675217.db2.gz UQNAWQLTWXAPDI-QGZVFWFLSA-N 1 2 339.464 3.782 20 0 EHADLO Cc1cc(N2CCC(NC(=O)C3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301089923 1026682113 /nfs/dbraw/zinc/68/21/13/1026682113.db2.gz KQATWLUZTSAQNR-UHFFFAOYSA-N 1 2 344.503 3.574 20 0 EHADLO O=C(Cc1cc2c(ccc3ccccc23)o1)NCCCn1cc[nH+]c1 ZINC000122707309 1026704164 /nfs/dbraw/zinc/70/41/64/1026704164.db2.gz IZHQNJLKERWKSG-UHFFFAOYSA-N 1 2 333.391 3.532 20 0 EHADLO C[C@H]1CCN(C(=O)CSc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122760274 1026719011 /nfs/dbraw/zinc/71/90/11/1026719011.db2.gz CTYURCQFSRUWRI-DZGCQCFKSA-N 1 2 349.887 3.738 20 0 EHADLO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000122771268 1026724288 /nfs/dbraw/zinc/72/42/88/1026724288.db2.gz DCVVZNLYKYSOIA-BEFAXECRSA-N 1 2 349.434 3.768 20 0 EHADLO Fc1cccc([C@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)c1 ZINC000277732595 1026728752 /nfs/dbraw/zinc/72/87/52/1026728752.db2.gz IOHJMBPEAKHCGN-FQEVSTJZSA-N 1 2 349.413 3.812 20 0 EHADLO Fc1cccc([C@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)c1 ZINC000277732595 1026728765 /nfs/dbraw/zinc/72/87/65/1026728765.db2.gz IOHJMBPEAKHCGN-FQEVSTJZSA-N 1 2 349.413 3.812 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3cccc(OC(F)F)c3)[nH+]cn2)C1 ZINC000301233274 1026732229 /nfs/dbraw/zinc/73/22/29/1026732229.db2.gz IYIQTHWVZLLQPS-ZDUSSCGKSA-N 1 2 348.397 3.926 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3cccc(OC(F)F)c3)nc[nH+]2)C1 ZINC000301233274 1026732240 /nfs/dbraw/zinc/73/22/40/1026732240.db2.gz IYIQTHWVZLLQPS-ZDUSSCGKSA-N 1 2 348.397 3.926 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)Oc1ccccc1 ZINC000301244471 1026736422 /nfs/dbraw/zinc/73/64/22/1026736422.db2.gz AWVNSBJIUJSAPP-OAHLLOKOSA-N 1 2 345.406 3.695 20 0 EHADLO CCC[C@H]([NH2+]Cc1oc(C(C)C)nc1C)c1nnc2ccccn21 ZINC000428343583 1026738036 /nfs/dbraw/zinc/73/80/36/1026738036.db2.gz CLPPTFFSGQWSHK-AWEZNQCLSA-N 1 2 327.432 3.780 20 0 EHADLO CCCn1ncc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C1CC1 ZINC000452467450 1026765638 /nfs/dbraw/zinc/76/56/38/1026765638.db2.gz QHBRDBGASNPEDC-UHFFFAOYSA-N 1 2 349.438 3.668 20 0 EHADLO C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000277754342 1026809620 /nfs/dbraw/zinc/80/96/20/1026809620.db2.gz RGWGJWXKQNSEIB-HOCLYGCPSA-N 1 2 339.439 3.640 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cl)c2ccccc2c1O ZINC000531355436 1026824535 /nfs/dbraw/zinc/82/45/35/1026824535.db2.gz MGQVYFHNOLAAAB-UHFFFAOYSA-N 1 2 343.814 3.606 20 0 EHADLO CCc1nc(Cl)c(C)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000301490469 1026825338 /nfs/dbraw/zinc/82/53/38/1026825338.db2.gz MJTFTQQUMHTXFV-UHFFFAOYSA-N 1 2 345.809 3.938 20 0 EHADLO FC(F)(F)c1ccnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000301542469 1026847051 /nfs/dbraw/zinc/84/70/51/1026847051.db2.gz VWGDSXGHJVMJOL-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000342722909 1026855583 /nfs/dbraw/zinc/85/55/83/1026855583.db2.gz CYUDALANDHEZJD-DNVCBOLYSA-N 1 2 338.455 3.506 20 0 EHADLO Cc1nc(N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000301714234 1026912612 /nfs/dbraw/zinc/91/26/12/1026912612.db2.gz ZGACTNADPJFPOV-UHFFFAOYSA-N 1 2 348.491 3.674 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000123050175 1026941720 /nfs/dbraw/zinc/94/17/20/1026941720.db2.gz PZXFJPPCWUATQN-RYUDHWBXSA-N 1 2 342.374 3.691 20 0 EHADLO COc1ccc2cc(CNc3nc(N)c4ccccc4[nH+]3)ccc2c1 ZINC000301800289 1026943698 /nfs/dbraw/zinc/94/36/98/1026943698.db2.gz SRSHSPSAEYSJNF-UHFFFAOYSA-N 1 2 330.391 3.986 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1F ZINC000123050750 1026944347 /nfs/dbraw/zinc/94/43/47/1026944347.db2.gz PZXFJPPCWUATQN-VXGBXAGGSA-N 1 2 342.374 3.691 20 0 EHADLO CC(C)c1cc(N[C@H](C)C(=O)N2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301826104 1026954633 /nfs/dbraw/zinc/95/46/33/1026954633.db2.gz OXABMGKKWUVQHB-HUUCEWRRSA-N 1 2 332.492 3.925 20 0 EHADLO CN(Cc1ccccc1Cl)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301831271 1026955565 /nfs/dbraw/zinc/95/55/65/1026955565.db2.gz IFTDHANZXSBRDT-UHFFFAOYSA-N 1 2 329.835 3.871 20 0 EHADLO CN(Cc1ccc(Cl)cc1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301842922 1026960414 /nfs/dbraw/zinc/96/04/14/1026960414.db2.gz QWIHVNODRZURNQ-UHFFFAOYSA-N 1 2 329.835 3.871 20 0 EHADLO CCO[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C12CCCC2 ZINC000301850938 1026963832 /nfs/dbraw/zinc/96/38/32/1026963832.db2.gz ALQBNQWQWFDFAP-GJZGRUSLSA-N 1 2 343.475 3.731 20 0 EHADLO Cc1cnccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277797486 1026966127 /nfs/dbraw/zinc/96/61/27/1026966127.db2.gz VWOBEOLKXKVWPK-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000301858849 1026967958 /nfs/dbraw/zinc/96/79/58/1026967958.db2.gz DVLQNHZSLALETA-LBPRGKRZSA-N 1 2 347.422 3.734 20 0 EHADLO CCOC(=O)N1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000301875560 1026974478 /nfs/dbraw/zinc/97/44/78/1026974478.db2.gz MKDZLAVGYCKQDB-UHFFFAOYSA-N 1 2 334.464 3.756 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(C)CCCCC3)cn2c1 ZINC000582698381 1026975888 /nfs/dbraw/zinc/97/58/88/1026975888.db2.gz GQZAMWRHZFAHOT-UHFFFAOYSA-N 1 2 345.512 3.963 20 0 EHADLO COc1cc(F)c([C@@H](C)Nc2nc(N)c3ccccc3[nH+]2)cc1OC ZINC000301880655 1026976852 /nfs/dbraw/zinc/97/68/52/1026976852.db2.gz HZLQILUYEJIATE-SNVBAGLBSA-N 1 2 342.374 3.541 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000048776692 1026977616 /nfs/dbraw/zinc/97/76/16/1026977616.db2.gz WFZNALICCKTKIQ-UHFFFAOYSA-N 1 2 339.389 3.929 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(F)c(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000301882296 1026978583 /nfs/dbraw/zinc/97/85/83/1026978583.db2.gz IQICLHNOCCJJBA-KRWDZBQOSA-N 1 2 329.419 3.934 20 0 EHADLO Nc1nc(NCc2cccc(OCC(F)(F)F)c2)[nH+]c2ccccc12 ZINC000301896556 1026982887 /nfs/dbraw/zinc/98/28/87/1026982887.db2.gz UVDGNIOKQGXHJU-UHFFFAOYSA-N 1 2 348.328 3.765 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000301906792 1026988848 /nfs/dbraw/zinc/98/88/48/1026988848.db2.gz ZJSNHMSHZPSELH-CVEARBPZSA-N 1 2 337.427 3.523 20 0 EHADLO COc1cccc2c1CC[C@H]2Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301914352 1026992789 /nfs/dbraw/zinc/99/27/89/1026992789.db2.gz IDVMCMAVGIWGNT-OAHLLOKOSA-N 1 2 337.427 3.689 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000158753482 1026997245 /nfs/dbraw/zinc/99/72/45/1026997245.db2.gz UEOSLTKYQAHCDY-INIZCTEOSA-N 1 2 328.481 3.504 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000123146408 1027002568 /nfs/dbraw/zinc/00/25/68/1027002568.db2.gz XKCJZJDXVBWPGM-PBHICJAKSA-N 1 2 331.485 3.685 20 0 EHADLO Fc1ccc([C@H]2OCC[C@@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1F ZINC000302044620 1027033521 /nfs/dbraw/zinc/03/35/21/1027033521.db2.gz XMVZUKHBFRQIGD-MAUKXSAKSA-N 1 2 346.381 3.519 20 0 EHADLO Fc1ccc([C@H]2OCC[C@@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000302044620 1027033530 /nfs/dbraw/zinc/03/35/30/1027033530.db2.gz XMVZUKHBFRQIGD-MAUKXSAKSA-N 1 2 346.381 3.519 20 0 EHADLO COc1cc(F)c([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)cc1OC ZINC000302051607 1027036311 /nfs/dbraw/zinc/03/63/11/1027036311.db2.gz ODQORFLUQQYZDW-LLVKDONJSA-N 1 2 345.418 3.993 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000074533321 1027045223 /nfs/dbraw/zinc/04/52/23/1027045223.db2.gz GTCNWYULRJEKBZ-OQSMONGASA-N 1 2 335.451 3.831 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074595027 1027054393 /nfs/dbraw/zinc/05/43/93/1027054393.db2.gz QZKJNXXOUSROHZ-INIZCTEOSA-N 1 2 343.496 3.929 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)N(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302126967 1027062060 /nfs/dbraw/zinc/06/20/60/1027062060.db2.gz ISVGNMKTLKEAPR-CZUORRHYSA-N 1 2 336.443 3.564 20 0 EHADLO Clc1cc2c(c(CNc3cc(N4CCCCC4)nc[nH+]3)c1)OCC2 ZINC000302157279 1027074488 /nfs/dbraw/zinc/07/44/88/1027074488.db2.gz WSERTBWTOQROQA-UHFFFAOYSA-N 1 2 344.846 3.667 20 0 EHADLO Clc1cc2c(c(CNc3cc(N4CCCCC4)[nH+]cn3)c1)OCC2 ZINC000302157279 1027074496 /nfs/dbraw/zinc/07/44/96/1027074496.db2.gz WSERTBWTOQROQA-UHFFFAOYSA-N 1 2 344.846 3.667 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000302190087 1027083526 /nfs/dbraw/zinc/08/35/26/1027083526.db2.gz VJWZYAKSQKLEEF-UONOGXRCSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000302190087 1027083534 /nfs/dbraw/zinc/08/35/34/1027083534.db2.gz VJWZYAKSQKLEEF-UONOGXRCSA-N 1 2 346.862 3.654 20 0 EHADLO CCNC(=O)c1cccc(CNc2cc[nH+]c3c(OC)cccc23)c1 ZINC000302389301 1027137063 /nfs/dbraw/zinc/13/70/63/1027137063.db2.gz BNNNOKCSSUZSCW-UHFFFAOYSA-N 1 2 335.407 3.605 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531663 1027142425 /nfs/dbraw/zinc/14/24/25/1027142425.db2.gz OVMAVCYRYQSEOS-QGZVFWFLSA-N 1 2 340.471 3.666 20 0 EHADLO COc1cccc2c(NCc3ccc(N4CCCC4=O)cc3)cc[nH+]c12 ZINC000302419356 1027145141 /nfs/dbraw/zinc/14/51/41/1027145141.db2.gz INHMQHYVZGCTLX-UHFFFAOYSA-N 1 2 347.418 3.982 20 0 EHADLO CCCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075534438 1027145446 /nfs/dbraw/zinc/14/54/46/1027145446.db2.gz BGYNGMYSJSNCQZ-JEJOPICUSA-N 1 2 339.439 3.618 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000126033685 1027154814 /nfs/dbraw/zinc/15/48/14/1027154814.db2.gz AMGJSYKXCBJYRO-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO COc1cc(C)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1OC ZINC000430037162 1027172725 /nfs/dbraw/zinc/17/27/25/1027172725.db2.gz HFABVPCSIZATRR-UHFFFAOYSA-N 1 2 343.320 3.858 20 0 EHADLO COc1cccc2c(N3CCC[C@H](CC(=O)OC(C)C)C3)cc[nH+]c12 ZINC000302517728 1027175930 /nfs/dbraw/zinc/17/59/30/1027175930.db2.gz HPXOGIGGZJDKKU-OAHLLOKOSA-N 1 2 342.439 3.802 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000123382003 1027197188 /nfs/dbraw/zinc/19/71/88/1027197188.db2.gz CFYPJVSGLNCGQJ-ZIAGYGMSSA-N 1 2 333.395 3.820 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCO1 ZINC000273005031 1027222282 /nfs/dbraw/zinc/22/22/82/1027222282.db2.gz QFCWBNYHXOZVMW-YOEHRIQHSA-N 1 2 327.428 3.857 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1[nH]ncc1Br ZINC000531713767 1027241757 /nfs/dbraw/zinc/24/17/57/1027241757.db2.gz QMUTUWIXUFXSMQ-CQSZACIVSA-N 1 2 340.240 3.668 20 0 EHADLO Cc1cccc([C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000273048334 1027245058 /nfs/dbraw/zinc/24/50/58/1027245058.db2.gz FWKVVVCGQHJXMN-NRFANRHFSA-N 1 2 345.446 3.870 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2CC)cn1 ZINC000127016600 1027264530 /nfs/dbraw/zinc/26/45/30/1027264530.db2.gz OOEWEIIIPANSOO-LJQANCHMSA-N 1 2 337.471 4.000 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2CC)cn1 ZINC000127016600 1027264546 /nfs/dbraw/zinc/26/45/46/1027264546.db2.gz OOEWEIIIPANSOO-LJQANCHMSA-N 1 2 337.471 4.000 20 0 EHADLO C[C@@]12COC[C@]1(C)CN(c1[nH+]ccc3cc(Br)ccc31)C2 ZINC000664289820 1027289238 /nfs/dbraw/zinc/28/92/38/1027289238.db2.gz QXKUUTAWZVPYDI-CALCHBBNSA-N 1 2 347.256 3.860 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000302784353 1027289758 /nfs/dbraw/zinc/28/97/58/1027289758.db2.gz LRSMOKAAQGNIRJ-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO O=C(Nc1ccc(Cl)cc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127258028 1027289848 /nfs/dbraw/zinc/28/98/48/1027289848.db2.gz JELBDFGEYWYUPO-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000076511392 1027293069 /nfs/dbraw/zinc/29/30/69/1027293069.db2.gz DYHIBMADKIJEJP-UHFFFAOYSA-N 1 2 349.394 3.556 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000127419419 1027308558 /nfs/dbraw/zinc/30/85/58/1027308558.db2.gz JQSGAKIKNMENPR-SFHVURJKSA-N 1 2 333.428 3.697 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000127419419 1027308566 /nfs/dbraw/zinc/30/85/66/1027308566.db2.gz JQSGAKIKNMENPR-SFHVURJKSA-N 1 2 333.428 3.697 20 0 EHADLO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835652 1027316506 /nfs/dbraw/zinc/31/65/06/1027316506.db2.gz VUEDRPBXYQFRBQ-AEFFLSMTSA-N 1 2 347.821 3.934 20 0 EHADLO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000302835652 1027316525 /nfs/dbraw/zinc/31/65/25/1027316525.db2.gz VUEDRPBXYQFRBQ-AEFFLSMTSA-N 1 2 347.821 3.934 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)O2 ZINC000475471945 1027333603 /nfs/dbraw/zinc/33/36/03/1027333603.db2.gz OOKCQSJTBAFMNW-SFHVURJKSA-N 1 2 333.391 3.717 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OC)cn1)c1nc(C(F)(F)F)cs1 ZINC000273253333 1027337908 /nfs/dbraw/zinc/33/79/08/1027337908.db2.gz HCEZOQAWOOYYIA-LLVKDONJSA-N 1 2 331.363 3.806 20 0 EHADLO CCS[C@H]1CCC[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302878256 1027341120 /nfs/dbraw/zinc/34/11/20/1027341120.db2.gz GJFMDYATTSGPLX-KBPBESRZSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@H]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302878256 1027341138 /nfs/dbraw/zinc/34/11/38/1027341138.db2.gz GJFMDYATTSGPLX-KBPBESRZSA-N 1 2 338.546 3.506 20 0 EHADLO C[C@@H]1CC(C)(C)CN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000665722993 1027347756 /nfs/dbraw/zinc/34/77/56/1027347756.db2.gz IFJCIVOSZRWGJS-WBVHZDCISA-N 1 2 340.471 3.534 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(OCCc2ccccc2)c1 ZINC000337626480 1027350081 /nfs/dbraw/zinc/35/00/81/1027350081.db2.gz VNJLSUQWPJFRQT-UHFFFAOYSA-N 1 2 335.407 3.603 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(OCCc2ccccc2)c1 ZINC000337626480 1027350098 /nfs/dbraw/zinc/35/00/98/1027350098.db2.gz VNJLSUQWPJFRQT-UHFFFAOYSA-N 1 2 335.407 3.603 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1C ZINC000302914900 1027357731 /nfs/dbraw/zinc/35/77/31/1027357731.db2.gz VIGJKURTSBCAQU-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1C ZINC000302914900 1027357746 /nfs/dbraw/zinc/35/77/46/1027357746.db2.gz VIGJKURTSBCAQU-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000302920698 1027365679 /nfs/dbraw/zinc/36/56/79/1027365679.db2.gz ZLUIIJJWODSCBF-AEFFLSMTSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000302920698 1027365693 /nfs/dbraw/zinc/36/56/93/1027365693.db2.gz ZLUIIJJWODSCBF-AEFFLSMTSA-N 1 2 340.471 3.618 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453107868 1027374240 /nfs/dbraw/zinc/37/42/40/1027374240.db2.gz IDQRLJVSTSUQSU-DOMZBBRYSA-N 1 2 341.377 3.960 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccco2)Cc2cccs2)nc(C2CC2)[nH]1 ZINC000459297188 1027382746 /nfs/dbraw/zinc/38/27/46/1027382746.db2.gz NUEQUVKJXSJUKO-UHFFFAOYSA-N 1 2 341.436 3.917 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccco2)Cc2cccs2)nc(C2CC2)[nH]1 ZINC000459297188 1027382762 /nfs/dbraw/zinc/38/27/62/1027382762.db2.gz NUEQUVKJXSJUKO-UHFFFAOYSA-N 1 2 341.436 3.917 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1cnn(C)c1 ZINC000273369920 1027398553 /nfs/dbraw/zinc/39/85/53/1027398553.db2.gz KTXBYMCIQOQKJP-GHMZBOCLSA-N 1 2 331.807 3.535 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103306654 1027419924 /nfs/dbraw/zinc/41/99/24/1027419924.db2.gz KPKJTRVXCIOHFD-ZWKOTPCHSA-N 1 2 344.503 3.564 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273480006 1027449779 /nfs/dbraw/zinc/44/97/79/1027449779.db2.gz QIRPTPGPWXAXHV-IBGZPJMESA-N 1 2 340.471 3.796 20 0 EHADLO CCC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)(C)C ZINC000454227183 1027467416 /nfs/dbraw/zinc/46/74/16/1027467416.db2.gz LSMQBBMNBNYPSA-MRXNPFEDSA-N 1 2 332.492 3.696 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000657584590 1027495414 /nfs/dbraw/zinc/49/54/14/1027495414.db2.gz UEXMKOPTDGEXRG-UHFFFAOYSA-N 1 2 341.402 3.633 20 0 EHADLO Nc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000420376328 1027497798 /nfs/dbraw/zinc/49/77/98/1027497798.db2.gz QLDWNEANRZOHRG-KRWDZBQOSA-N 1 2 336.357 3.861 20 0 EHADLO Nc1cccc(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000420376328 1027497808 /nfs/dbraw/zinc/49/78/08/1027497808.db2.gz QLDWNEANRZOHRG-KRWDZBQOSA-N 1 2 336.357 3.861 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000273644420 1027534557 /nfs/dbraw/zinc/53/45/57/1027534557.db2.gz VKFQPCCXGCUUGU-NSHDSACASA-N 1 2 333.457 3.653 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000129458112 1027558589 /nfs/dbraw/zinc/55/85/89/1027558589.db2.gz HVNFVYMYRHXRCX-FQEVSTJZSA-N 1 2 343.398 3.633 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000129458112 1027558598 /nfs/dbraw/zinc/55/85/98/1027558598.db2.gz HVNFVYMYRHXRCX-FQEVSTJZSA-N 1 2 343.398 3.633 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1OC ZINC000025381138 1027559823 /nfs/dbraw/zinc/55/98/23/1027559823.db2.gz PKXYDZJBEDVTAN-MRXNPFEDSA-N 1 2 345.443 3.621 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1OC ZINC000025381138 1027559827 /nfs/dbraw/zinc/55/98/27/1027559827.db2.gz PKXYDZJBEDVTAN-MRXNPFEDSA-N 1 2 345.443 3.621 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1OC ZINC000314768031 1027569357 /nfs/dbraw/zinc/56/93/57/1027569357.db2.gz ALDSSUQAEQFRGY-WCQYABFASA-N 1 2 334.441 3.740 20 0 EHADLO c1cn(CCc2nc(CCCOc3cccc4ccccc43)no2)c[nH+]1 ZINC000273729301 1027585105 /nfs/dbraw/zinc/58/51/05/1027585105.db2.gz AQYLKCJUJLMLCS-UHFFFAOYSA-N 1 2 348.406 3.674 20 0 EHADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342845268 1027617998 /nfs/dbraw/zinc/61/79/98/1027617998.db2.gz XBOZXPWXVNUCHA-YWZLYKJASA-N 1 2 331.419 3.926 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(OC)c1 ZINC000657612464 1027623518 /nfs/dbraw/zinc/62/35/18/1027623518.db2.gz MEKUFDMQWAQQLP-INIZCTEOSA-N 1 2 332.469 3.508 20 0 EHADLO Cc1cc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)cc(C)[nH+]1 ZINC000422206949 1027638599 /nfs/dbraw/zinc/63/85/99/1027638599.db2.gz LNBLFYUBYQFHHP-IBGZPJMESA-N 1 2 338.455 3.920 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000614788761 1027665924 /nfs/dbraw/zinc/66/59/24/1027665924.db2.gz ZKBXUISACWHDGK-NXEZZACHSA-N 1 2 348.378 3.710 20 0 EHADLO C[NH2+]Cc1noc([C@@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)n1 ZINC000414645319 1027668600 /nfs/dbraw/zinc/66/86/00/1027668600.db2.gz QOWRHLROPZCVGG-CYBMUJFWSA-N 1 2 327.350 3.603 20 0 EHADLO CCOc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000130420519 1027669369 /nfs/dbraw/zinc/66/93/69/1027669369.db2.gz XGUYQBRBFCNGFV-HNNXBMFYSA-N 1 2 344.480 3.666 20 0 EHADLO CCCOc1cccc2c(N[C@H](CO)CC(F)(F)F)cc[nH+]c12 ZINC000502012720 1027697967 /nfs/dbraw/zinc/69/79/67/1027697967.db2.gz WLVWSAYQLYKJPB-NSHDSACASA-N 1 2 328.334 3.749 20 0 EHADLO Nc1cc(CNc2ncc(C(F)(F)F)cc2-c2cccnc2)cc[nH+]1 ZINC001167617284 1027707984 /nfs/dbraw/zinc/70/79/84/1027707984.db2.gz NIWFYQPWDBNVBB-UHFFFAOYSA-N 1 2 345.328 3.752 20 0 EHADLO CC(C)COc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000130901047 1027713576 /nfs/dbraw/zinc/71/35/76/1027713576.db2.gz QHFITKZYWWSHSI-CYBMUJFWSA-N 1 2 347.846 3.772 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000078362762 1027726006 /nfs/dbraw/zinc/72/60/06/1027726006.db2.gz WUKOMSGYYAYWJJ-VIFPVBQESA-N 1 2 330.190 3.597 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000503337124 1027730551 /nfs/dbraw/zinc/73/05/51/1027730551.db2.gz LOASICCZMSVJCT-SFHVURJKSA-N 1 2 340.471 3.970 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119583812 1027736876 /nfs/dbraw/zinc/73/68/76/1027736876.db2.gz ZRQXJPFVRFBDRJ-OAHLLOKOSA-N 1 2 342.443 3.618 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119583812 1027736891 /nfs/dbraw/zinc/73/68/91/1027736891.db2.gz ZRQXJPFVRFBDRJ-OAHLLOKOSA-N 1 2 342.443 3.618 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCc2cccnc2)c[nH+]1 ZINC000153347226 1027739024 /nfs/dbraw/zinc/73/90/24/1027739024.db2.gz YAZFGWLXEAWLPE-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](CF)C2)c(-c2ccccc2)cc1OC ZINC000414471908 1027744759 /nfs/dbraw/zinc/74/47/59/1027744759.db2.gz QGTMBOSMQRCASC-KRWDZBQOSA-N 1 2 345.414 3.541 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](CF)C2)c(-c2ccccc2)cc1OC ZINC000414471908 1027744780 /nfs/dbraw/zinc/74/47/80/1027744780.db2.gz QGTMBOSMQRCASC-KRWDZBQOSA-N 1 2 345.414 3.541 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cnc(C3CC3)nc2)cc1 ZINC000459343190 1027747521 /nfs/dbraw/zinc/74/75/21/1027747521.db2.gz LNNVRHWKYYRQEL-GOSISDBHSA-N 1 2 325.481 3.953 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cnc(C3CC3)nc2)cc1 ZINC000459343190 1027747542 /nfs/dbraw/zinc/74/75/42/1027747542.db2.gz LNNVRHWKYYRQEL-GOSISDBHSA-N 1 2 325.481 3.953 20 0 EHADLO CC(C)Oc1cc(Br)ccc1NCc1cc[nH+]c(N)c1 ZINC001167618715 1027764697 /nfs/dbraw/zinc/76/46/97/1027764697.db2.gz NODCVISLFICWCQ-UHFFFAOYSA-N 1 2 336.233 3.826 20 0 EHADLO Cc1cc(CNC(=O)NCCCCc2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000420832684 1027768525 /nfs/dbraw/zinc/76/85/25/1027768525.db2.gz LDJXTVYRDKVPLA-UHFFFAOYSA-N 1 2 347.409 3.799 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1CCC(C2CC2)CC1 ZINC000665837663 1027768590 /nfs/dbraw/zinc/76/85/90/1027768590.db2.gz CQYWSZXHKBWVQL-UHFFFAOYSA-N 1 2 337.467 3.764 20 0 EHADLO O=C(c1cc(F)c2ccccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342871124 1027777652 /nfs/dbraw/zinc/77/76/52/1027777652.db2.gz CJRDVHITYAODHB-QGZVFWFLSA-N 1 2 336.366 3.667 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000503415926 1027782048 /nfs/dbraw/zinc/78/20/48/1027782048.db2.gz TVPYRTUYJKMZSR-MSOLQXFVSA-N 1 2 340.471 3.886 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccco2)Cc2ccco2)cc(C)[nH+]1 ZINC000420848216 1027789936 /nfs/dbraw/zinc/78/99/36/1027789936.db2.gz LOPPTDDCIIRRDE-UHFFFAOYSA-N 1 2 339.395 3.796 20 0 EHADLO CCc1ccc([C@H]2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000420850369 1027794141 /nfs/dbraw/zinc/79/41/41/1027794141.db2.gz PNWKNMHFWSOBQT-FQEVSTJZSA-N 1 2 337.467 3.960 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@](F)(c3ccccc3F)C2)cc(C)[nH+]1 ZINC000420856118 1027800578 /nfs/dbraw/zinc/80/05/78/1027800578.db2.gz XGQLTBPSQXZJGV-IBGZPJMESA-N 1 2 345.393 3.618 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420856139 1027800721 /nfs/dbraw/zinc/80/07/21/1027800721.db2.gz XJYIBDYNWVVHIF-IBGZPJMESA-N 1 2 325.456 3.861 20 0 EHADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000153386249 1027802211 /nfs/dbraw/zinc/80/22/11/1027802211.db2.gz BDDSMNSRVUDGLI-OAHLLOKOSA-N 1 2 342.487 3.873 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCCc3c(F)cccc32)cc(C)[nH+]1 ZINC000420857594 1027804362 /nfs/dbraw/zinc/80/43/62/1027804362.db2.gz ZXRPXDQZMDHZMG-GOSISDBHSA-N 1 2 327.403 3.714 20 0 EHADLO Oc1cccc(CN2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000582812832 1027817789 /nfs/dbraw/zinc/81/77/89/1027817789.db2.gz YGYFXKVDWTYOHT-DUXPYHPUSA-N 1 2 344.405 3.501 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(cc1O)CCCC2 ZINC001625981199 1027826616 /nfs/dbraw/zinc/82/66/16/1027826616.db2.gz FODOJJSOCMIKMK-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cccc(O)c1Br ZINC000459350382 1027830516 /nfs/dbraw/zinc/83/05/16/1027830516.db2.gz CBSUVOKJHHYCIN-AWEZNQCLSA-N 1 2 348.240 3.995 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)c1 ZINC000131951242 1027841105 /nfs/dbraw/zinc/84/11/05/1027841105.db2.gz DJDZWTLPIGOXQQ-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO CC(C)(C)CCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000614804810 1027883897 /nfs/dbraw/zinc/88/38/97/1027883897.db2.gz CCAHWNSISLSZKK-UHFFFAOYSA-N 1 2 349.544 3.680 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1F ZINC000420952269 1027917394 /nfs/dbraw/zinc/91/73/94/1027917394.db2.gz RZQUTAUQTPFIJY-LBPRGKRZSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1F ZINC000420952269 1027917407 /nfs/dbraw/zinc/91/74/07/1027917407.db2.gz RZQUTAUQTPFIJY-LBPRGKRZSA-N 1 2 332.341 3.737 20 0 EHADLO CC[C@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503596648 1027938972 /nfs/dbraw/zinc/93/89/72/1027938972.db2.gz BMDJNBLKYQTZSH-QYZOEREBSA-N 1 2 347.499 3.734 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536619881 1027954099 /nfs/dbraw/zinc/95/40/99/1027954099.db2.gz PMESTAVNVGWFDQ-CJNGLKHVSA-N 1 2 349.356 3.817 20 0 EHADLO FCCn1ncnc1C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000685037288 1027955548 /nfs/dbraw/zinc/95/55/48/1027955548.db2.gz FPKYWTVAXXAHQP-ZPIQOJFGSA-N 1 2 334.464 3.767 20 0 EHADLO FCCn1ncnc1C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000685037288 1027955553 /nfs/dbraw/zinc/95/55/53/1027955553.db2.gz FPKYWTVAXXAHQP-ZPIQOJFGSA-N 1 2 334.464 3.767 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000114708617 1027977913 /nfs/dbraw/zinc/97/79/13/1027977913.db2.gz SNRBJZPXIZOTRB-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO COc1ccc([C@@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000114708617 1027977936 /nfs/dbraw/zinc/97/79/36/1027977936.db2.gz SNRBJZPXIZOTRB-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444512536 1028015951 /nfs/dbraw/zinc/01/59/51/1028015951.db2.gz UYQSFTVYMCNSBE-PKOBYXMFSA-N 1 2 343.430 3.624 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000133343421 1028019789 /nfs/dbraw/zinc/01/97/89/1028019789.db2.gz LGPCIASYHLDMLE-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000133343421 1028019807 /nfs/dbraw/zinc/01/98/07/1028019807.db2.gz LGPCIASYHLDMLE-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421040610 1028022746 /nfs/dbraw/zinc/02/27/46/1028022746.db2.gz NRQTVYUEMRYIFQ-MRXNPFEDSA-N 1 2 348.288 3.780 20 0 EHADLO Cn1ccnc1C[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421040610 1028022764 /nfs/dbraw/zinc/02/27/64/1028022764.db2.gz NRQTVYUEMRYIFQ-MRXNPFEDSA-N 1 2 348.288 3.780 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533529796 1028023908 /nfs/dbraw/zinc/02/39/08/1028023908.db2.gz PMQIALRJJAPXTL-HNNXBMFYSA-N 1 2 346.430 3.931 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533529796 1028023927 /nfs/dbraw/zinc/02/39/27/1028023927.db2.gz PMQIALRJJAPXTL-HNNXBMFYSA-N 1 2 346.430 3.931 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421040608 1028024440 /nfs/dbraw/zinc/02/44/40/1028024440.db2.gz NRQTVYUEMRYIFQ-INIZCTEOSA-N 1 2 348.288 3.780 20 0 EHADLO Cn1ccnc1C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421040608 1028024455 /nfs/dbraw/zinc/02/44/55/1028024455.db2.gz NRQTVYUEMRYIFQ-INIZCTEOSA-N 1 2 348.288 3.780 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000533548329 1028064126 /nfs/dbraw/zinc/06/41/26/1028064126.db2.gz FGLJZRBPRKXLQW-WMLDXEAASA-N 1 2 331.485 3.801 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1cccnc1 ZINC000444608871 1028070322 /nfs/dbraw/zinc/07/03/22/1028070322.db2.gz MDKVUUPVSKWBHE-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1cccnc1 ZINC000444608871 1028070335 /nfs/dbraw/zinc/07/03/35/1028070335.db2.gz MDKVUUPVSKWBHE-UHFFFAOYSA-N 1 2 326.375 3.681 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077696 1028078898 /nfs/dbraw/zinc/07/88/98/1028078898.db2.gz AKYQVUCMWXVJLH-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077696 1028078919 /nfs/dbraw/zinc/07/89/19/1028078919.db2.gz AKYQVUCMWXVJLH-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO Fc1ccccc1-c1noc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000444635524 1028087665 /nfs/dbraw/zinc/08/76/65/1028087665.db2.gz KSXWNZABWBWCAY-UHFFFAOYSA-N 1 2 335.382 3.923 20 0 EHADLO Fc1ccccc1-c1noc(C[N@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000444635524 1028087686 /nfs/dbraw/zinc/08/76/86/1028087686.db2.gz KSXWNZABWBWCAY-UHFFFAOYSA-N 1 2 335.382 3.923 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503729002 1028105933 /nfs/dbraw/zinc/10/59/33/1028105933.db2.gz PVSVPSZBIYDIKL-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503729002 1028105938 /nfs/dbraw/zinc/10/59/38/1028105938.db2.gz PVSVPSZBIYDIKL-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646313 1028107481 /nfs/dbraw/zinc/10/74/81/1028107481.db2.gz SBXJBZWACBPWIM-NVXWUHKLSA-N 1 2 329.465 3.825 20 0 EHADLO C[C@H](C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646313 1028107490 /nfs/dbraw/zinc/10/74/90/1028107490.db2.gz SBXJBZWACBPWIM-NVXWUHKLSA-N 1 2 329.465 3.825 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652003 1028113408 /nfs/dbraw/zinc/11/34/08/1028113408.db2.gz QSNWHGXHNJBAGT-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652003 1028113423 /nfs/dbraw/zinc/11/34/23/1028113423.db2.gz QSNWHGXHNJBAGT-KXBFYZLASA-N 1 2 336.414 3.990 20 0 EHADLO CCSc1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414500250 1028126962 /nfs/dbraw/zinc/12/69/62/1028126962.db2.gz BYIFYCMNMWHAPW-UHFFFAOYSA-N 1 2 327.375 3.897 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052916886 1028139612 /nfs/dbraw/zinc/13/96/12/1028139612.db2.gz DPDALHNLYDUFGR-KRWDZBQOSA-N 1 2 334.510 3.624 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052916886 1028139619 /nfs/dbraw/zinc/13/96/19/1028139619.db2.gz DPDALHNLYDUFGR-KRWDZBQOSA-N 1 2 334.510 3.624 20 0 EHADLO c1cnc2c(c1)cccc2OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421188626 1028162951 /nfs/dbraw/zinc/16/29/51/1028162951.db2.gz XIZUAUJBKSTSAK-UHFFFAOYSA-N 1 2 334.419 3.646 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711045 1028188957 /nfs/dbraw/zinc/18/89/57/1028188957.db2.gz WKOWBRINVFTBIP-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711045 1028188969 /nfs/dbraw/zinc/18/89/69/1028188969.db2.gz WKOWBRINVFTBIP-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO COc1ccc(Br)nc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086214 1028217711 /nfs/dbraw/zinc/21/77/11/1028217711.db2.gz JYKNWLLRCLDRLU-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153575288 1028241376 /nfs/dbraw/zinc/24/13/76/1028241376.db2.gz FLZCVAHLUNZCED-DNVCBOLYSA-N 1 2 341.430 3.632 20 0 EHADLO COc1ccc(O[C@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455484632 1028250857 /nfs/dbraw/zinc/25/08/57/1028250857.db2.gz JTEJFNNUPDCEOC-CQSZACIVSA-N 1 2 343.427 3.604 20 0 EHADLO Nc1ccc(Br)nc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086272 1028251822 /nfs/dbraw/zinc/25/18/22/1028251822.db2.gz LPWVRMOKXJRORB-UHFFFAOYSA-N 1 2 330.189 3.560 20 0 EHADLO COc1cccc(Cl)c1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455517799 1028267906 /nfs/dbraw/zinc/26/79/06/1028267906.db2.gz LGENFOIMOOUUEE-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cccc(OC2CCCCC2)c1 ZINC000523408663 1028276154 /nfs/dbraw/zinc/27/61/54/1028276154.db2.gz FFEAKFPSJCGECZ-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423215077 1028283401 /nfs/dbraw/zinc/28/34/01/1028283401.db2.gz QDGMYVKIHPUGJK-YNKQFZHNSA-N 1 2 348.368 3.508 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423221112 1028286844 /nfs/dbraw/zinc/28/68/44/1028286844.db2.gz WGNRTTRKWYVRDH-KSMMKXTCSA-N 1 2 344.405 3.678 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2nccs2)C(F)(F)F)c(C)[nH+]1 ZINC000455509617 1028287160 /nfs/dbraw/zinc/28/71/60/1028287160.db2.gz GTWMRUJGZVKITC-LLVKDONJSA-N 1 2 344.362 3.888 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455534805 1028310250 /nfs/dbraw/zinc/31/02/50/1028310250.db2.gz ARFBDYZRHIMVTI-IBGZPJMESA-N 1 2 325.456 3.861 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682081 1028311393 /nfs/dbraw/zinc/31/13/93/1028311393.db2.gz UUOCMVRGADMNHD-JKSUJKDBSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682081 1028311406 /nfs/dbraw/zinc/31/14/06/1028311406.db2.gz UUOCMVRGADMNHD-JKSUJKDBSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c[nH+]1 ZINC000455535778 1028314406 /nfs/dbraw/zinc/31/44/06/1028314406.db2.gz BFXAVBJWPQXJDC-ZFWWWQNUSA-N 1 2 343.393 3.866 20 0 EHADLO CC[C@H]1C[C@]1([NH2+]Cc1csc(NC(C)=O)n1)c1cccc(C)c1 ZINC000502541266 1028322248 /nfs/dbraw/zinc/32/22/48/1028322248.db2.gz JMSJCWUPDOQHDM-KBXCAEBGSA-N 1 2 329.469 3.825 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2c(F)c(F)c(F)c(F)c2F)c(C)[nH+]1 ZINC000841721303 1028379415 /nfs/dbraw/zinc/37/94/15/1028379415.db2.gz QDPNLXZSOZBZDK-QHCPKHFHSA-N 1 2 349.324 3.843 20 0 EHADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000193153774 1028415437 /nfs/dbraw/zinc/41/54/37/1028415437.db2.gz ZFKJTICJJJDEJC-CYBMUJFWSA-N 1 2 332.835 3.597 20 0 EHADLO CCCCc1nc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)no1 ZINC000502597837 1028416438 /nfs/dbraw/zinc/41/64/38/1028416438.db2.gz XSMPLRNFYPVNTM-SFHVURJKSA-N 1 2 349.862 3.557 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079026334 1028419763 /nfs/dbraw/zinc/41/97/63/1028419763.db2.gz FTMVDDKIZJJOCQ-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079026326 1028420257 /nfs/dbraw/zinc/42/02/57/1028420257.db2.gz FTMVDDKIZJJOCQ-LPHOPBHVSA-N 1 2 340.471 3.699 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475618714 1028427893 /nfs/dbraw/zinc/42/78/93/1028427893.db2.gz PCMQOEDGHAMDFK-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000475618714 1028427898 /nfs/dbraw/zinc/42/78/98/1028427898.db2.gz PCMQOEDGHAMDFK-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cc(COC)on3)oc21 ZINC000459379090 1028436455 /nfs/dbraw/zinc/43/64/55/1028436455.db2.gz OVOCYLZOJZFERP-LBPRGKRZSA-N 1 2 330.384 3.817 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cccc3n[nH]cc32)cs1 ZINC000628185510 1028453714 /nfs/dbraw/zinc/45/37/14/1028453714.db2.gz BKTKFQAOXFIFFG-GFCCVEGCSA-N 1 2 330.457 3.749 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cccc3n[nH]cc32)cs1 ZINC000628185510 1028453723 /nfs/dbraw/zinc/45/37/23/1028453723.db2.gz BKTKFQAOXFIFFG-GFCCVEGCSA-N 1 2 330.457 3.749 20 0 EHADLO C[N@H+](Cc1ccccc1F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605782 1028460656 /nfs/dbraw/zinc/46/06/56/1028460656.db2.gz RHPAMMPUFWFYJK-QGZVFWFLSA-N 1 2 332.806 3.716 20 0 EHADLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605782 1028460670 /nfs/dbraw/zinc/46/06/70/1028460670.db2.gz RHPAMMPUFWFYJK-QGZVFWFLSA-N 1 2 332.806 3.716 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000071090502 1028473941 /nfs/dbraw/zinc/47/39/41/1028473941.db2.gz ZNRGRSLFTGONHW-RXVVDRJESA-N 1 2 337.467 3.552 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072026149 1028497200 /nfs/dbraw/zinc/49/72/00/1028497200.db2.gz VPJXNZAIYHOAQH-HNNXBMFYSA-N 1 2 332.407 3.533 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000072862600 1028524283 /nfs/dbraw/zinc/52/42/83/1028524283.db2.gz VRYYRKUGPGSYBC-AAEUAGOBSA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000072862600 1028524287 /nfs/dbraw/zinc/52/42/87/1028524287.db2.gz VRYYRKUGPGSYBC-AAEUAGOBSA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421560095 1028537841 /nfs/dbraw/zinc/53/78/41/1028537841.db2.gz QAHLJEQHBTWQPG-AWEZNQCLSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1cc(CNC(=O)c2c3c(nc4ccccc42)CCC3)cc(C)[nH+]1 ZINC000421556310 1028557212 /nfs/dbraw/zinc/55/72/12/1028557212.db2.gz JQBMLJOWXINIQF-UHFFFAOYSA-N 1 2 331.419 3.665 20 0 EHADLO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)OCc1ccccc1 ZINC001167648448 1028562669 /nfs/dbraw/zinc/56/26/69/1028562669.db2.gz VEOOPVPUCYFCII-UHFFFAOYSA-N 1 2 341.426 3.824 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc(C)[nH+]1 ZINC000421574606 1028567900 /nfs/dbraw/zinc/56/79/00/1028567900.db2.gz GZQOKNVYQVGNNS-MRXNPFEDSA-N 1 2 338.451 3.957 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)CSCc2ccccc2)cc(C)[nH+]1 ZINC000421580541 1028574212 /nfs/dbraw/zinc/57/42/12/1028574212.db2.gz WQSNARAPAYLEGD-CQSZACIVSA-N 1 2 328.481 3.884 20 0 EHADLO Cc1cc(C[NH+](CCc2ccc(F)cc2)Cc2cc(C)no2)on1 ZINC000073804858 1028582235 /nfs/dbraw/zinc/58/22/35/1028582235.db2.gz ZIHBMBNKUQWFSQ-UHFFFAOYSA-N 1 2 329.375 3.663 20 0 EHADLO CCCOc1c(C[N@@H+]2CCc3c(ncn3CC)C2)cccc1OCC ZINC000897336997 1028583466 /nfs/dbraw/zinc/58/34/66/1028583466.db2.gz SYZZDOSNSWVGFY-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCCOc1c(C[N@H+]2CCc3c(ncn3CC)C2)cccc1OCC ZINC000897336997 1028583475 /nfs/dbraw/zinc/58/34/75/1028583475.db2.gz SYZZDOSNSWVGFY-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)n1 ZINC000195194028 1028587340 /nfs/dbraw/zinc/58/73/40/1028587340.db2.gz GPVPMUMNJXHABP-HNNXBMFYSA-N 1 2 328.460 3.855 20 0 EHADLO COc1ccccc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000074117905 1028596984 /nfs/dbraw/zinc/59/69/84/1028596984.db2.gz IYCQBGSRAKJFQM-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO CCc1ccc(CN(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000523751223 1028599613 /nfs/dbraw/zinc/59/96/13/1028599613.db2.gz XCJUWXIMRKGIPT-UHFFFAOYSA-N 1 2 348.450 3.776 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000504385821 1028602075 /nfs/dbraw/zinc/60/20/75/1028602075.db2.gz ZFZUQVXVRBIRAB-QGZVFWFLSA-N 1 2 340.471 3.951 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)C[C@H](O)C(F)(F)F ZINC000428393061 1028603740 /nfs/dbraw/zinc/60/37/40/1028603740.db2.gz MGAFSTCROUNSOP-NSHDSACASA-N 1 2 346.176 3.747 20 0 EHADLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)C[C@H](O)C(F)(F)F ZINC000428393061 1028603753 /nfs/dbraw/zinc/60/37/53/1028603753.db2.gz MGAFSTCROUNSOP-NSHDSACASA-N 1 2 346.176 3.747 20 0 EHADLO COc1ccccc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000445213083 1028606952 /nfs/dbraw/zinc/60/69/52/1028606952.db2.gz VVCSEQXKGMYNST-UHFFFAOYSA-N 1 2 332.363 3.657 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074436814 1028613721 /nfs/dbraw/zinc/61/37/21/1028613721.db2.gz JJVNNRKZCWPKNC-UHFFFAOYSA-N 1 2 349.434 3.852 20 0 EHADLO CC(C)(C)Cc1csc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)n1 ZINC000423788044 1028614263 /nfs/dbraw/zinc/61/42/63/1028614263.db2.gz BVPZJOUASWCRRN-ZDUSSCGKSA-N 1 2 339.411 3.648 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000074692236 1028628427 /nfs/dbraw/zinc/62/84/27/1028628427.db2.gz LDVDYCOTYNGGKI-QGZVFWFLSA-N 1 2 331.504 3.875 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)[nH+]1 ZINC000075075734 1028641027 /nfs/dbraw/zinc/64/10/27/1028641027.db2.gz PVCZQKLNXSBTMC-SECBINFHSA-N 1 2 347.831 3.924 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(F)c1 ZINC000237899502 1028670741 /nfs/dbraw/zinc/67/07/41/1028670741.db2.gz CJUMTZCHZFYYHU-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO O=C(CCCC1CCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079406901 1028685144 /nfs/dbraw/zinc/68/51/44/1028685144.db2.gz ADODZOFGWAZJHT-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000246745251 1028686738 /nfs/dbraw/zinc/68/67/38/1028686738.db2.gz MZFHKFUVWWKSDV-NFAWXSAZSA-N 1 2 337.533 3.511 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000246745251 1028686747 /nfs/dbraw/zinc/68/67/47/1028686747.db2.gz MZFHKFUVWWKSDV-NFAWXSAZSA-N 1 2 337.533 3.511 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1C1CCC1 ZINC000343031472 1028730183 /nfs/dbraw/zinc/73/01/83/1028730183.db2.gz BISFGHVSWXROEA-MRXNPFEDSA-N 1 2 348.516 3.925 20 0 EHADLO CCOc1c(F)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000079450692 1028732548 /nfs/dbraw/zinc/73/25/48/1028732548.db2.gz WJCITELCAPKZLO-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(C[N@H+]1CCc2ccc(O)cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000532730702 1028758036 /nfs/dbraw/zinc/75/80/36/1028758036.db2.gz BTFXGECQVUPJGC-UHFFFAOYSA-N 1 2 325.452 3.536 20 0 EHADLO O=C(C[N@@H+]1CCc2ccc(O)cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000532730702 1028758052 /nfs/dbraw/zinc/75/80/52/1028758052.db2.gz BTFXGECQVUPJGC-UHFFFAOYSA-N 1 2 325.452 3.536 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454317048 1028760052 /nfs/dbraw/zinc/76/00/52/1028760052.db2.gz KLVOZRGGLBSERD-KRWDZBQOSA-N 1 2 340.471 3.866 20 0 EHADLO CC[C@@]1(C(C)C)C[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454336208 1028766066 /nfs/dbraw/zinc/76/60/66/1028766066.db2.gz ZRZJIJIZFINSIX-QUCCMNQESA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454336207 1028766336 /nfs/dbraw/zinc/76/63/36/1028766336.db2.gz ZRZJIJIZFINSIX-ICSRJNTNSA-N 1 2 340.471 3.555 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H](C)CC3)c(=S)n2C)cc1 ZINC000052085800 1028771600 /nfs/dbraw/zinc/77/16/00/1028771600.db2.gz FLAYFZOYVKWCQT-AWEZNQCLSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@H](C)CC3)c(=S)n2C)cc1 ZINC000052085800 1028771614 /nfs/dbraw/zinc/77/16/14/1028771614.db2.gz FLAYFZOYVKWCQT-AWEZNQCLSA-N 1 2 346.500 3.706 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c[nH+]1 ZINC000454380446 1028830166 /nfs/dbraw/zinc/83/01/66/1028830166.db2.gz JHWMAJCBJLPSLR-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000247984972 1028836037 /nfs/dbraw/zinc/83/60/37/1028836037.db2.gz ISOYAPXYHYKFPN-UONOGXRCSA-N 1 2 327.494 3.665 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000247984972 1028836052 /nfs/dbraw/zinc/83/60/52/1028836052.db2.gz ISOYAPXYHYKFPN-UONOGXRCSA-N 1 2 327.494 3.665 20 0 EHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)c(OC[C@H]2CCCO2)c1 ZINC000424153567 1028838848 /nfs/dbraw/zinc/83/88/48/1028838848.db2.gz KHCWHIZORBYIMO-QGZVFWFLSA-N 1 2 329.444 3.942 20 0 EHADLO OCC1(c2ccccc2)C[NH+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000414556407 1028843963 /nfs/dbraw/zinc/84/39/63/1028843963.db2.gz YMCVWBIRQAKYII-UHFFFAOYSA-N 1 2 336.460 3.556 20 0 EHADLO Cc1cc(C)n(-c2ccccc2NC(=O)NCc2c[nH+]c(C)cc2C)n1 ZINC000454403352 1028854020 /nfs/dbraw/zinc/85/40/20/1028854020.db2.gz DTIAZXYUOIKCSW-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502972351 1028907888 /nfs/dbraw/zinc/90/78/88/1028907888.db2.gz WJPDFWISTDTKKT-AWEZNQCLSA-N 1 2 342.443 3.576 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502972351 1028907907 /nfs/dbraw/zinc/90/79/07/1028907907.db2.gz WJPDFWISTDTKKT-AWEZNQCLSA-N 1 2 342.443 3.576 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1F ZINC000445536990 1028913803 /nfs/dbraw/zinc/91/38/03/1028913803.db2.gz FSFKCWNXPOGGRY-HSZRJFAPSA-N 1 2 328.412 3.519 20 0 EHADLO O=c1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)nc(-c2ccccc2)[nH]1 ZINC000459384169 1028940964 /nfs/dbraw/zinc/94/09/64/1028940964.db2.gz YNIRMNGJRPDGLD-UHFFFAOYSA-N 1 2 335.329 3.544 20 0 EHADLO C[C@@H](CC1CC1)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454502814 1028967486 /nfs/dbraw/zinc/96/74/86/1028967486.db2.gz SZNFZFAGSVICEO-LBPRGKRZSA-N 1 2 332.835 3.514 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000123680150 1028993507 /nfs/dbraw/zinc/99/35/07/1028993507.db2.gz VLNPWDNAKSOGTK-CJNGLKHVSA-N 1 2 329.469 3.547 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000347376918 1029026145 /nfs/dbraw/zinc/02/61/45/1029026145.db2.gz VMQBRLUWZGZFNC-KXBFYZLASA-N 1 2 347.480 3.988 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000347376918 1029026163 /nfs/dbraw/zinc/02/61/63/1029026163.db2.gz VMQBRLUWZGZFNC-KXBFYZLASA-N 1 2 347.480 3.988 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000532920406 1029070691 /nfs/dbraw/zinc/07/06/91/1029070691.db2.gz MKMPDJVWAGXKMP-CYBMUJFWSA-N 1 2 345.830 3.681 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000532920406 1029070708 /nfs/dbraw/zinc/07/07/08/1029070708.db2.gz MKMPDJVWAGXKMP-CYBMUJFWSA-N 1 2 345.830 3.681 20 0 EHADLO CC(C)(C)c1cnc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000532963916 1029107104 /nfs/dbraw/zinc/10/71/04/1029107104.db2.gz XSTWAWWPKMYPOH-JXMROGBWSA-N 1 2 339.483 3.803 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cncn2Cc2ccccc2)o1 ZINC000445774771 1029135438 /nfs/dbraw/zinc/13/54/38/1029135438.db2.gz HUCXDXKXNGSZNK-LJQANCHMSA-N 1 2 339.439 3.564 20 0 EHADLO CCc1noc([C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)n1 ZINC000524448065 1029197751 /nfs/dbraw/zinc/19/77/51/1029197751.db2.gz FGCGJJBDRUFDMZ-CQSZACIVSA-N 1 2 341.411 3.793 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000285557062 1029294020 /nfs/dbraw/zinc/29/40/20/1029294020.db2.gz MUNXVCDGHQUBSD-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000285557062 1029294036 /nfs/dbraw/zinc/29/40/36/1029294036.db2.gz MUNXVCDGHQUBSD-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO C[N@H+](CC1CCCCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000533086684 1029312819 /nfs/dbraw/zinc/31/28/19/1029312819.db2.gz UFOOMKBDDISOKY-HNNXBMFYSA-N 1 2 327.877 3.681 20 0 EHADLO C[N@@H+](CC1CCCCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000533086684 1029312835 /nfs/dbraw/zinc/31/28/35/1029312835.db2.gz UFOOMKBDDISOKY-HNNXBMFYSA-N 1 2 327.877 3.681 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H](CO)c1ccccc1 ZINC000343124147 1029327680 /nfs/dbraw/zinc/32/76/80/1029327680.db2.gz YNQCMVWUKOQEQT-SFHVURJKSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H](CO)c1ccccc1 ZINC000343124147 1029327691 /nfs/dbraw/zinc/32/76/91/1029327691.db2.gz YNQCMVWUKOQEQT-SFHVURJKSA-N 1 2 326.371 3.646 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccs1)Cc1c[nH]nc1C ZINC000161972009 1029328546 /nfs/dbraw/zinc/32/85/46/1029328546.db2.gz WHUTUUPIWYKROU-UHFFFAOYSA-N 1 2 327.453 3.991 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccs1)Cc1c[nH]nc1C ZINC000161972009 1029328570 /nfs/dbraw/zinc/32/85/70/1029328570.db2.gz WHUTUUPIWYKROU-UHFFFAOYSA-N 1 2 327.453 3.991 20 0 EHADLO Cn1ccnc1C[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000161982080 1029336933 /nfs/dbraw/zinc/33/69/33/1029336933.db2.gz IKDGHNZCEMKMGG-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO Cn1ccnc1C[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000161982080 1029336950 /nfs/dbraw/zinc/33/69/50/1029336950.db2.gz IKDGHNZCEMKMGG-UHFFFAOYSA-N 1 2 330.284 3.951 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000424804512 1029346406 /nfs/dbraw/zinc/34/64/06/1029346406.db2.gz FJQNNENBZINKGU-KRWDZBQOSA-N 1 2 339.483 3.755 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)o1 ZINC000272209766 1029360989 /nfs/dbraw/zinc/36/09/89/1029360989.db2.gz FEZZSQAXZFTYGI-QGZVFWFLSA-N 1 2 336.395 3.536 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCCO[C@@H](C)C1 ZINC000524637741 1029373847 /nfs/dbraw/zinc/37/38/47/1029373847.db2.gz RTFXDPBYBAIQDX-HNNXBMFYSA-N 1 2 342.439 3.644 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCCO[C@H](C)C1 ZINC000524637742 1029374348 /nfs/dbraw/zinc/37/43/48/1029374348.db2.gz RTFXDPBYBAIQDX-OAHLLOKOSA-N 1 2 342.439 3.644 20 0 EHADLO Cc1cccc2c(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)coc21 ZINC000424830511 1029374279 /nfs/dbraw/zinc/37/42/79/1029374279.db2.gz SQJLOBNMUPBUIU-SFHVURJKSA-N 1 2 338.382 3.667 20 0 EHADLO CC1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000357775635 1029380912 /nfs/dbraw/zinc/38/09/12/1029380912.db2.gz PWRXPOKCHFPBEP-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000152047936 1029396348 /nfs/dbraw/zinc/39/63/48/1029396348.db2.gz FRUQPLNHGPAQFI-RDJZCZTQSA-N 1 2 332.492 3.692 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000272307741 1029409816 /nfs/dbraw/zinc/40/98/16/1029409816.db2.gz RBMYUQZPRYNDQT-SCLBCKFNSA-N 1 2 346.858 3.552 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000161611772 1029421435 /nfs/dbraw/zinc/42/14/35/1029421435.db2.gz STIZVQJAUCDGCF-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000161611772 1029421451 /nfs/dbraw/zinc/42/14/51/1029421451.db2.gz STIZVQJAUCDGCF-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO COC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000454881053 1029429377 /nfs/dbraw/zinc/42/93/77/1029429377.db2.gz UMZZJEYBOHXOST-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454904452 1029431029 /nfs/dbraw/zinc/43/10/29/1029431029.db2.gz GEAGWGXRFICKOP-AWEZNQCLSA-N 1 2 329.469 3.981 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000583265258 1029468178 /nfs/dbraw/zinc/46/81/78/1029468178.db2.gz HXWZCYXNAZOHIZ-MAUKXSAKSA-N 1 2 343.446 3.878 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2OC)cc1OC ZINC001143557894 1029468607 /nfs/dbraw/zinc/46/86/07/1029468607.db2.gz QACWBDGDMDTTIO-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2OC)cc1OC ZINC001143557894 1029468614 /nfs/dbraw/zinc/46/86/14/1029468614.db2.gz QACWBDGDMDTTIO-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO O=C(Nc1cc(Cl)ccc1OC(F)F)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425051885 1029510250 /nfs/dbraw/zinc/51/02/50/1029510250.db2.gz UJPQECSECOWSGB-VIFPVBQESA-N 1 2 341.745 3.723 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(F)ccc2OC(F)F)c[nH+]1 ZINC000454959581 1029510487 /nfs/dbraw/zinc/51/04/87/1029510487.db2.gz KEKYKUGQZBKUBK-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO Cc1ccoc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000343157576 1029539159 /nfs/dbraw/zinc/53/91/59/1029539159.db2.gz GNGRWPSUQLGULB-UHFFFAOYSA-N 1 2 344.724 3.593 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079026319 1029540334 /nfs/dbraw/zinc/54/03/34/1029540334.db2.gz FTMVDDKIZJJOCQ-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571469691 1029590411 /nfs/dbraw/zinc/59/04/11/1029590411.db2.gz FQKSSQHQAOWJBL-AWEZNQCLSA-N 1 2 349.438 3.549 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nc(C2CC2)n1Cc1ccco1 ZINC000728562299 1029623460 /nfs/dbraw/zinc/62/34/60/1029623460.db2.gz KXVDSZOOWJKNFO-MRXNPFEDSA-N 1 2 344.484 3.765 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nc(C2CC2)n1Cc1ccco1 ZINC000728562299 1029623467 /nfs/dbraw/zinc/62/34/67/1029623467.db2.gz KXVDSZOOWJKNFO-MRXNPFEDSA-N 1 2 344.484 3.765 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533347601 1029627641 /nfs/dbraw/zinc/62/76/41/1029627641.db2.gz CSKQKWLCTIQCLL-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533347601 1029627650 /nfs/dbraw/zinc/62/76/50/1029627650.db2.gz CSKQKWLCTIQCLL-QGZVFWFLSA-N 1 2 327.453 3.579 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000155742419 1029639011 /nfs/dbraw/zinc/63/90/11/1029639011.db2.gz XFPGTKAWGBLMTN-SFHVURJKSA-N 1 2 346.434 3.507 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000525002180 1029645911 /nfs/dbraw/zinc/64/59/11/1029645911.db2.gz CYXVSIYPAVPAEA-ZDUSSCGKSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000525002180 1029645914 /nfs/dbraw/zinc/64/59/14/1029645914.db2.gz CYXVSIYPAVPAEA-ZDUSSCGKSA-N 1 2 330.255 3.547 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000155792517 1029652128 /nfs/dbraw/zinc/65/21/28/1029652128.db2.gz DWSFJQBMORMPGY-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000150913864 1029658398 /nfs/dbraw/zinc/65/83/98/1029658398.db2.gz NEHVZBNIAQIUIO-UHFFFAOYSA-N 1 2 335.455 3.621 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000666837065 1029669062 /nfs/dbraw/zinc/66/90/62/1029669062.db2.gz KBPBSKNKTOIPNM-FMKPAKJESA-N 1 2 329.831 3.541 20 0 EHADLO CCOc1ccc(OC(C)(C)C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000525132142 1029709919 /nfs/dbraw/zinc/70/99/19/1029709919.db2.gz MRYIILQVYRJVDV-UHFFFAOYSA-N 1 2 339.395 3.529 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126371220 1029711545 /nfs/dbraw/zinc/71/15/45/1029711545.db2.gz ZKLUZWOUYRGXCN-NNJOLFNFSA-N 1 2 329.831 3.659 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(SCCOC)cc2)n1 ZINC000114751807 1029741910 /nfs/dbraw/zinc/74/19/10/1029741910.db2.gz LWTDLUUTPWWDAM-CHWSQXEVSA-N 1 2 335.473 3.782 20 0 EHADLO Cc1cc(C[NH+](Cc2ccco2)Cc2ccco2)ccc1-n1cncn1 ZINC000162557087 1029750003 /nfs/dbraw/zinc/75/00/03/1029750003.db2.gz CMVKLTCHBNKUIN-UHFFFAOYSA-N 1 2 348.406 3.964 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)S1 ZINC000525274357 1029784813 /nfs/dbraw/zinc/78/48/13/1029784813.db2.gz WUGVQYJROJZXFR-AOOOYVTPSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)S1 ZINC000525274357 1029784819 /nfs/dbraw/zinc/78/48/19/1029784819.db2.gz WUGVQYJROJZXFR-AOOOYVTPSA-N 1 2 344.274 3.504 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c(OC)n1 ZINC000583410307 1029793191 /nfs/dbraw/zinc/79/31/91/1029793191.db2.gz GIKKZIYEWIZICF-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1Cl ZINC000080322498 1029795700 /nfs/dbraw/zinc/79/57/00/1029795700.db2.gz BIEUQAIUZHDXIX-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525329163 1029795612 /nfs/dbraw/zinc/79/56/12/1029795612.db2.gz HAMSYCFPCCRCQK-CQSZACIVSA-N 1 2 340.854 3.676 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525329163 1029795617 /nfs/dbraw/zinc/79/56/17/1029795617.db2.gz HAMSYCFPCCRCQK-CQSZACIVSA-N 1 2 340.854 3.676 20 0 EHADLO Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1Cl ZINC000446797922 1029797370 /nfs/dbraw/zinc/79/73/70/1029797370.db2.gz UKHROMJOAGYFLH-UHFFFAOYSA-N 1 2 330.863 3.571 20 0 EHADLO CC(C)(C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000525355247 1029803177 /nfs/dbraw/zinc/80/31/77/1029803177.db2.gz XCSSDCAINVSDNT-UHFFFAOYSA-N 1 2 332.423 3.637 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H]3c3ccco3)nc(N)c2c1C ZINC000093174505 1029823653 /nfs/dbraw/zinc/82/36/53/1029823653.db2.gz NFMVZSBAPFGTDQ-LBPRGKRZSA-N 1 2 328.441 3.820 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H]3c3ccco3)nc(N)c2c1C ZINC000093174505 1029823658 /nfs/dbraw/zinc/82/36/58/1029823658.db2.gz NFMVZSBAPFGTDQ-LBPRGKRZSA-N 1 2 328.441 3.820 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1Cl ZINC000565034897 1029829739 /nfs/dbraw/zinc/82/97/39/1029829739.db2.gz KYFCGNHSGPXJHA-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO Clc1cc2cccnc2c(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000566549302 1029853075 /nfs/dbraw/zinc/85/30/75/1029853075.db2.gz KISAXZJVCXDYOX-UHFFFAOYSA-N 1 2 330.844 3.907 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000533817294 1029865626 /nfs/dbraw/zinc/86/56/26/1029865626.db2.gz DTSAZPYICNYVQM-UHFFFAOYSA-N 1 2 348.899 3.597 20 0 EHADLO O=C(C/C=C\c1ccccc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817156 1029866389 /nfs/dbraw/zinc/86/63/89/1029866389.db2.gz QOBLIRYYLLZICG-HYXAFXHYSA-N 1 2 344.455 3.635 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039694 1029871852 /nfs/dbraw/zinc/87/18/52/1029871852.db2.gz MGMWSPBATNKRFM-COMQUAJESA-N 1 2 332.410 3.510 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039694 1029871859 /nfs/dbraw/zinc/87/18/59/1029871859.db2.gz MGMWSPBATNKRFM-COMQUAJESA-N 1 2 332.410 3.510 20 0 EHADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+](C)[C@H](C)c3ccccc3)n2)cc1 ZINC000536047916 1029897304 /nfs/dbraw/zinc/89/73/04/1029897304.db2.gz NGHJHYVPTBYAPR-OAHLLOKOSA-N 1 2 348.454 3.529 20 0 EHADLO Cc1ccc(Nc2nc(N)nc(C[N@H+](C)[C@H](C)c3ccccc3)n2)cc1 ZINC000536047916 1029897325 /nfs/dbraw/zinc/89/73/25/1029897325.db2.gz NGHJHYVPTBYAPR-OAHLLOKOSA-N 1 2 348.454 3.529 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc31)CS2 ZINC000453201103 1029901544 /nfs/dbraw/zinc/90/15/44/1029901544.db2.gz AAWWQTYJGPIHPN-NWDGAFQWSA-N 1 2 336.258 3.527 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1c[nH]nc1C ZINC000447084623 1029911340 /nfs/dbraw/zinc/91/13/40/1029911340.db2.gz ZRBIYNFXPLWPMC-AWEZNQCLSA-N 1 2 334.261 3.818 20 0 EHADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1c[nH]nc1C ZINC000447084623 1029911382 /nfs/dbraw/zinc/91/13/82/1029911382.db2.gz ZRBIYNFXPLWPMC-AWEZNQCLSA-N 1 2 334.261 3.818 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)c2cn[nH]n2)cc1 ZINC000453247471 1029975620 /nfs/dbraw/zinc/97/56/20/1029975620.db2.gz WKHGKPJUQZACCD-AZUAARDMSA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)c2c[nH]nn2)cc1 ZINC000453247471 1029975624 /nfs/dbraw/zinc/97/56/24/1029975624.db2.gz WKHGKPJUQZACCD-AZUAARDMSA-N 1 2 336.414 3.817 20 0 EHADLO COc1ccc(COCCCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000089749980 1029980609 /nfs/dbraw/zinc/98/06/09/1029980609.db2.gz DDLMNYOTKWBRJE-UHFFFAOYSA-N 1 2 342.439 3.951 20 0 EHADLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000525638393 1029986902 /nfs/dbraw/zinc/98/69/02/1029986902.db2.gz IIFFKRVZLOBBRX-OAHLLOKOSA-N 1 2 327.424 3.918 20 0 EHADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000525638393 1029986923 /nfs/dbraw/zinc/98/69/23/1029986923.db2.gz IIFFKRVZLOBBRX-OAHLLOKOSA-N 1 2 327.424 3.918 20 0 EHADLO FC(F)CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000428472525 1029993583 /nfs/dbraw/zinc/99/35/83/1029993583.db2.gz IXEDPDKRXLNHNW-UHFFFAOYSA-N 1 2 337.241 3.809 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923227 1030032264 /nfs/dbraw/zinc/03/22/64/1030032264.db2.gz WUNBARATLSVSQY-INIZCTEOSA-N 1 2 335.455 3.526 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923227 1030032279 /nfs/dbraw/zinc/03/22/79/1030032279.db2.gz WUNBARATLSVSQY-INIZCTEOSA-N 1 2 335.455 3.526 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)s1 ZINC000453299833 1030051008 /nfs/dbraw/zinc/05/10/08/1030051008.db2.gz KVZYIQRNNHTZQB-MRVPVSSYSA-N 1 2 330.379 3.674 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000090004531 1030059059 /nfs/dbraw/zinc/05/90/59/1030059059.db2.gz RCFAKSHXYNMBMK-CQSZACIVSA-N 1 2 342.468 3.591 20 0 EHADLO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000090004531 1030059075 /nfs/dbraw/zinc/05/90/75/1030059075.db2.gz RCFAKSHXYNMBMK-CQSZACIVSA-N 1 2 342.468 3.591 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000157784602 1030075295 /nfs/dbraw/zinc/07/52/95/1030075295.db2.gz CLXBWCYGWAWTNP-KRWDZBQOSA-N 1 2 338.517 3.818 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000157784602 1030075314 /nfs/dbraw/zinc/07/53/14/1030075314.db2.gz CLXBWCYGWAWTNP-KRWDZBQOSA-N 1 2 338.517 3.818 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nn(CCC(C)C)c3ccccc23)nn1C ZINC000453312273 1030085708 /nfs/dbraw/zinc/08/57/08/1030085708.db2.gz QFSQSQUCAIGMIW-INIZCTEOSA-N 1 2 339.487 3.975 20 0 EHADLO CCn1cc(CN(C)c2[nH+]ccc3cc(Br)ccc32)cn1 ZINC000583551820 1030097508 /nfs/dbraw/zinc/09/75/08/1030097508.db2.gz VFKYGAXIYHPDCR-UHFFFAOYSA-N 1 2 345.244 3.850 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120720763 1030099922 /nfs/dbraw/zinc/09/99/22/1030099922.db2.gz SYRKQOWHEGGDDP-OALUTQOASA-N 1 2 330.472 3.914 20 0 EHADLO Cc1cc2[nH]c(C[N@H+](C)CC(=O)NCc3ccccc3)cc2c(C)c1 ZINC000481994891 1030164979 /nfs/dbraw/zinc/16/49/79/1030164979.db2.gz UVLUVYRLZWRABL-UHFFFAOYSA-N 1 2 335.451 3.533 20 0 EHADLO Cc1cc2[nH]c(C[N@@H+](C)CC(=O)NCc3ccccc3)cc2c(C)c1 ZINC000481994891 1030164993 /nfs/dbraw/zinc/16/49/93/1030164993.db2.gz UVLUVYRLZWRABL-UHFFFAOYSA-N 1 2 335.451 3.533 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000531969671 1030173363 /nfs/dbraw/zinc/17/33/63/1030173363.db2.gz HCVNIXCRJDAURA-NSHDSACASA-N 1 2 338.249 3.812 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)o1 ZINC000453402371 1030211100 /nfs/dbraw/zinc/21/11/00/1030211100.db2.gz ZZMCKGGFTJQBSM-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO CC1=C(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC(C)(C)C1 ZINC000448703435 1030228313 /nfs/dbraw/zinc/22/83/13/1030228313.db2.gz AUAXPGFOXSZINW-UHFFFAOYSA-N 1 2 327.472 3.693 20 0 EHADLO CCC1(c2ccc(Cl)cc2)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000525944343 1030240775 /nfs/dbraw/zinc/24/07/75/1030240775.db2.gz USKGSYSLASENRC-UHFFFAOYSA-N 1 2 345.874 3.586 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000525977766 1030265143 /nfs/dbraw/zinc/26/51/43/1030265143.db2.gz IABHYRKDFGTIKD-XJKSGUPXSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000525977766 1030265147 /nfs/dbraw/zinc/26/51/47/1030265147.db2.gz IABHYRKDFGTIKD-XJKSGUPXSA-N 1 2 339.863 3.691 20 0 EHADLO CCCCn1nnnc1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000583606020 1030265793 /nfs/dbraw/zinc/26/57/93/1030265793.db2.gz BAZTXFTZCDCZSV-INIZCTEOSA-N 1 2 337.830 3.507 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)c[nH+]1 ZINC000583608402 1030274750 /nfs/dbraw/zinc/27/47/50/1030274750.db2.gz QONOCZLITWPZEU-INIZCTEOSA-N 1 2 325.412 3.524 20 0 EHADLO CCC[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000121477591 1030278142 /nfs/dbraw/zinc/27/81/42/1030278142.db2.gz LZONYGVACNJXDY-MRXNPFEDSA-N 1 2 329.444 3.973 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000278348474 1030298144 /nfs/dbraw/zinc/29/81/44/1030298144.db2.gz QEOHDMNIBWIBGZ-UHFFFAOYSA-N 1 2 344.434 3.576 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)s1 ZINC000537636795 1030336359 /nfs/dbraw/zinc/33/63/59/1030336359.db2.gz WTSQWKFLVVJSES-CRAIPNDOSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)s1 ZINC000537636795 1030336377 /nfs/dbraw/zinc/33/63/77/1030336377.db2.gz WTSQWKFLVVJSES-CRAIPNDOSA-N 1 2 345.512 3.951 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000583639715 1030343992 /nfs/dbraw/zinc/34/39/92/1030343992.db2.gz PFUVRGCSAZUSCD-YQPCPPDFSA-N 1 2 331.847 3.755 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000583639715 1030344007 /nfs/dbraw/zinc/34/40/07/1030344007.db2.gz PFUVRGCSAZUSCD-YQPCPPDFSA-N 1 2 331.847 3.755 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1F ZINC000278355569 1030346138 /nfs/dbraw/zinc/34/61/38/1030346138.db2.gz IHMFWICXVTVWSI-INIZCTEOSA-N 1 2 333.407 3.972 20 0 EHADLO C[C@@H](C1CC1)n1nccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668015123 1030358086 /nfs/dbraw/zinc/35/80/86/1030358086.db2.gz VGAXXSHSPNVHJL-YOEHRIQHSA-N 1 2 349.438 3.738 20 0 EHADLO C[C@H]1CC[C@H](C)N(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000092034615 1030363002 /nfs/dbraw/zinc/36/30/02/1030363002.db2.gz BICSBXRNVOEDQB-HOTGVXAUSA-N 1 2 342.443 3.614 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000583666508 1030394002 /nfs/dbraw/zinc/39/40/02/1030394002.db2.gz CCEIBQZDDBXMIP-CQSZACIVSA-N 1 2 342.830 3.853 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000668042529 1030403840 /nfs/dbraw/zinc/40/38/40/1030403840.db2.gz WKOSZFQISCYQLY-VIFPVBQESA-N 1 2 329.288 3.602 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000668042529 1030403844 /nfs/dbraw/zinc/40/38/44/1030403844.db2.gz WKOSZFQISCYQLY-VIFPVBQESA-N 1 2 329.288 3.602 20 0 EHADLO CSc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000157297128 1030417642 /nfs/dbraw/zinc/41/76/42/1030417642.db2.gz GJSMNMHINJLRJZ-AWEZNQCLSA-N 1 2 344.484 3.629 20 0 EHADLO CC(C)(CNC(=O)c1ccccc1Nc1ccccc1)n1cc[nH+]c1 ZINC001168348146 1030420745 /nfs/dbraw/zinc/42/07/45/1030420745.db2.gz ADRCTJCRRITGQO-UHFFFAOYSA-N 1 2 334.423 3.792 20 0 EHADLO c1coc(C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]2CCCO2)c1 ZINC000092437438 1030453472 /nfs/dbraw/zinc/45/34/72/1030453472.db2.gz BTTSALLPMGMRLG-LJQANCHMSA-N 1 2 337.423 3.851 20 0 EHADLO c1coc(C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]2CCCO2)c1 ZINC000092437438 1030453483 /nfs/dbraw/zinc/45/34/83/1030453483.db2.gz BTTSALLPMGMRLG-LJQANCHMSA-N 1 2 337.423 3.851 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000129581909 1030499408 /nfs/dbraw/zinc/49/94/08/1030499408.db2.gz PONAEEPCVWXCOC-IUODEOHRSA-N 1 2 334.370 3.936 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823941 1030500590 /nfs/dbraw/zinc/50/05/90/1030500590.db2.gz WZEZXSTZEFFFHV-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O2 ZINC000447823941 1030500600 /nfs/dbraw/zinc/50/06/00/1030500600.db2.gz WZEZXSTZEFFFHV-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1nnc2ccccn21 ZINC000447836060 1030525817 /nfs/dbraw/zinc/52/58/17/1030525817.db2.gz WCVDFDFLTCBPNM-IBGZPJMESA-N 1 2 346.438 3.606 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000447837842 1030527349 /nfs/dbraw/zinc/52/73/49/1030527349.db2.gz XKTOEVZKSXYRLN-UHFFFAOYSA-N 1 2 346.496 3.920 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000447837842 1030527357 /nfs/dbraw/zinc/52/73/57/1030527357.db2.gz XKTOEVZKSXYRLN-UHFFFAOYSA-N 1 2 346.496 3.920 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(N3CCCC3)cc2)no1)Cc1ccccc1 ZINC000482574361 1030548084 /nfs/dbraw/zinc/54/80/84/1030548084.db2.gz CWEJZCAEMQBDFN-UHFFFAOYSA-N 1 2 348.450 3.969 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(N3CCCC3)cc2)no1)Cc1ccccc1 ZINC000482574361 1030548096 /nfs/dbraw/zinc/54/80/96/1030548096.db2.gz CWEJZCAEMQBDFN-UHFFFAOYSA-N 1 2 348.450 3.969 20 0 EHADLO CCOc1c(Br)cc(C[NH+]2[C@H](C)C[C@H]2C)cc1OC ZINC000526989538 1030551128 /nfs/dbraw/zinc/55/11/28/1030551128.db2.gz OPLJIRWZMUNFPA-GHMZBOCLSA-N 1 2 328.250 3.839 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093273783 1030578219 /nfs/dbraw/zinc/57/82/19/1030578219.db2.gz ISDABARUHINDJS-HXUWFJFHSA-N 1 2 338.451 3.529 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cccnc1C)C1CC1 ZINC000093273783 1030578230 /nfs/dbraw/zinc/57/82/30/1030578230.db2.gz ISDABARUHINDJS-HXUWFJFHSA-N 1 2 338.451 3.529 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000122320183 1030596257 /nfs/dbraw/zinc/59/62/57/1030596257.db2.gz WGICQJKSVNAAJB-INIZCTEOSA-N 1 2 346.450 3.813 20 0 EHADLO C[C@@H](C[NH+]1CCN(C(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000527106885 1030647964 /nfs/dbraw/zinc/64/79/64/1030647964.db2.gz JXWRYHUAPJQNHM-AWEZNQCLSA-N 1 2 348.899 3.963 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cs1 ZINC000343390775 1030658508 /nfs/dbraw/zinc/65/85/08/1030658508.db2.gz SMUKOUVDTSMMDH-INIZCTEOSA-N 1 2 333.432 3.790 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000157625341 1030686653 /nfs/dbraw/zinc/68/66/53/1030686653.db2.gz QLYNNAHQUNDPGR-MRXNPFEDSA-N 1 2 337.398 3.568 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000157625341 1030686662 /nfs/dbraw/zinc/68/66/62/1030686662.db2.gz QLYNNAHQUNDPGR-MRXNPFEDSA-N 1 2 337.398 3.568 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@](F)(c3ccccc3C)C2)c(C)c[nH+]1 ZINC000548809839 1030711867 /nfs/dbraw/zinc/71/18/67/1030711867.db2.gz AUKXPNUTFZTHDI-IBGZPJMESA-N 1 2 327.403 3.531 20 0 EHADLO c1ccc(-c2cnc(NCc3cc[nH+]c(N4CCCC4)c3)cn2)cc1 ZINC000583788192 1030739650 /nfs/dbraw/zinc/73/96/50/1030739650.db2.gz LSDUPEQZUYGUND-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000171644383 1030771295 /nfs/dbraw/zinc/77/12/95/1030771295.db2.gz RMOPPCXEAFWMNF-KRWDZBQOSA-N 1 2 340.471 3.513 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033654 1030818960 /nfs/dbraw/zinc/81/89/60/1030818960.db2.gz SYLOMUNXRNMPNR-HNNXBMFYSA-N 1 2 344.459 3.908 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172078689 1030830057 /nfs/dbraw/zinc/83/00/57/1030830057.db2.gz VHNWDTPLLPCVHC-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1Br ZINC000448222000 1030848320 /nfs/dbraw/zinc/84/83/20/1030848320.db2.gz FAKHLYNBVQWJIX-NSHDSACASA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@H]2c2cccs2)c1Br ZINC000448222000 1030848341 /nfs/dbraw/zinc/84/83/41/1030848341.db2.gz FAKHLYNBVQWJIX-NSHDSACASA-N 1 2 340.290 3.890 20 0 EHADLO O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343430311 1030856091 /nfs/dbraw/zinc/85/60/91/1030856091.db2.gz BHOABKYIJCDJTD-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO C[C@@H](CNc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000527365740 1030864236 /nfs/dbraw/zinc/86/42/36/1030864236.db2.gz KYBFUEOBZWYWST-INIZCTEOSA-N 1 2 328.431 3.874 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2cnn(-c3ccccc3)c2)c(C)[nH+]1 ZINC000097040348 1030882867 /nfs/dbraw/zinc/88/28/67/1030882867.db2.gz MIVINSAABRGKLL-UHFFFAOYSA-N 1 2 334.423 3.764 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000668182857 1030884844 /nfs/dbraw/zinc/88/48/44/1030884844.db2.gz PZRHFMNJAWRFES-CVEARBPZSA-N 1 2 344.430 3.503 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(C)[nH+]1 ZINC000097214064 1030906180 /nfs/dbraw/zinc/90/61/80/1030906180.db2.gz PJYBGNNSKOBMSZ-SFHVURJKSA-N 1 2 340.423 3.817 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ncccc2C)c(C)c1 ZINC000527501461 1030932400 /nfs/dbraw/zinc/93/24/00/1030932400.db2.gz RBQGDTUJWZJDGO-SFHVURJKSA-N 1 2 349.438 3.766 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc2cc[nH]c2c1 ZINC000194283809 1030961507 /nfs/dbraw/zinc/96/15/07/1030961507.db2.gz MVTVAGNNGNVANF-UHFFFAOYSA-N 1 2 349.369 3.814 20 0 EHADLO FC1(C[N@@H+]2CCC[C@H]2c2ccc(I)cc2)CC1 ZINC000527512499 1030961861 /nfs/dbraw/zinc/96/18/61/1030961861.db2.gz VPHORDFIGKVYNW-ZDUSSCGKSA-N 1 2 345.199 3.930 20 0 EHADLO FC1(C[N@H+]2CCC[C@H]2c2ccc(I)cc2)CC1 ZINC000527512499 1030961869 /nfs/dbraw/zinc/96/18/69/1030961869.db2.gz VPHORDFIGKVYNW-ZDUSSCGKSA-N 1 2 345.199 3.930 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 ZINC000527535989 1030975606 /nfs/dbraw/zinc/97/56/06/1030975606.db2.gz ZBDIWKCNGRMWCA-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 ZINC000527535989 1030975615 /nfs/dbraw/zinc/97/56/15/1030975615.db2.gz ZBDIWKCNGRMWCA-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO CC1(C)CCC(=CC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000157987904 1030997138 /nfs/dbraw/zinc/99/71/38/1030997138.db2.gz GCSQYNUNEXIGNZ-UHFFFAOYSA-N 1 2 327.472 3.693 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483173769 1031010791 /nfs/dbraw/zinc/01/07/91/1031010791.db2.gz IAYBIDAAVICWFL-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483173769 1031010804 /nfs/dbraw/zinc/01/08/04/1031010804.db2.gz IAYBIDAAVICWFL-HSMVNMDESA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483177650 1031014517 /nfs/dbraw/zinc/01/45/17/1031014517.db2.gz MLZXJVSIHOIPGF-SJCJKPOMSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483177650 1031014522 /nfs/dbraw/zinc/01/45/22/1031014522.db2.gz MLZXJVSIHOIPGF-SJCJKPOMSA-N 1 2 327.827 3.810 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1 ZINC000583880052 1031025438 /nfs/dbraw/zinc/02/54/38/1031025438.db2.gz LSJZWHPPUNAMNC-CQSZACIVSA-N 1 2 335.835 3.867 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(C)c(C)c(C)c(C)c2C)n1 ZINC000483201614 1031027808 /nfs/dbraw/zinc/02/78/08/1031027808.db2.gz XDVIOOVITGZXLE-INIZCTEOSA-N 1 2 331.460 3.951 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(C)c(C)c(C)c(C)c2C)n1 ZINC000483201614 1031027818 /nfs/dbraw/zinc/02/78/18/1031027818.db2.gz XDVIOOVITGZXLE-INIZCTEOSA-N 1 2 331.460 3.951 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000527618307 1031039756 /nfs/dbraw/zinc/03/97/56/1031039756.db2.gz ISYGKQREKAQRNP-UHFFFAOYSA-N 1 2 337.467 3.947 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000527618307 1031039778 /nfs/dbraw/zinc/03/97/78/1031039778.db2.gz ISYGKQREKAQRNP-UHFFFAOYSA-N 1 2 337.467 3.947 20 0 EHADLO S=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccccc1Cl ZINC000042625003 1031046795 /nfs/dbraw/zinc/04/67/95/1031046795.db2.gz DEIIAJLMXNDLLM-UHFFFAOYSA-N 1 2 346.887 3.822 20 0 EHADLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H](C)Cc1ccsc1 ZINC000568208998 1031065187 /nfs/dbraw/zinc/06/51/87/1031065187.db2.gz KXHUVEOQUSSHGW-CYBMUJFWSA-N 1 2 327.453 3.798 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000476957267 1031123857 /nfs/dbraw/zinc/12/38/57/1031123857.db2.gz YVOGKJQNYVEJNF-IBGZPJMESA-N 1 2 335.451 3.856 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000483370129 1031132978 /nfs/dbraw/zinc/13/29/78/1031132978.db2.gz BPDZWPMVGZQERM-BZSNNMDCSA-N 1 2 348.535 3.939 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000583937679 1031174746 /nfs/dbraw/zinc/17/47/46/1031174746.db2.gz WRMVFCSHABLFLL-RIEGTJTDSA-N 1 2 338.238 3.813 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)C2 ZINC000477023142 1031183630 /nfs/dbraw/zinc/18/36/30/1031183630.db2.gz XCQHDIKRIGSYKJ-MRXNPFEDSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)C2 ZINC000477023142 1031183636 /nfs/dbraw/zinc/18/36/36/1031183636.db2.gz XCQHDIKRIGSYKJ-MRXNPFEDSA-N 1 2 337.467 3.531 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)cn1 ZINC000343514410 1031195429 /nfs/dbraw/zinc/19/54/29/1031195429.db2.gz WSXZZHRCLUIDMX-IAQYHMDHSA-N 1 2 325.815 3.641 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000132075714 1031230541 /nfs/dbraw/zinc/23/05/41/1031230541.db2.gz HCUKWPVHCHOHQN-UHFFFAOYSA-N 1 2 347.484 3.561 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NC[C@@H]2CSCCS2)cc1 ZINC000760561780 1031275075 /nfs/dbraw/zinc/27/50/75/1031275075.db2.gz RGOMGWLWWJIGCD-OAHLLOKOSA-N 1 2 332.494 3.921 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533928407 1031284087 /nfs/dbraw/zinc/28/40/87/1031284087.db2.gz PZDKZTYUKOCTTM-MRXNPFEDSA-N 1 2 349.862 3.965 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533928407 1031284098 /nfs/dbraw/zinc/28/40/98/1031284098.db2.gz PZDKZTYUKOCTTM-MRXNPFEDSA-N 1 2 349.862 3.965 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000551392044 1031290240 /nfs/dbraw/zinc/29/02/40/1031290240.db2.gz YFRFWSJIABAERQ-UHFFFAOYSA-N 1 2 344.377 3.798 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000551392044 1031290251 /nfs/dbraw/zinc/29/02/51/1031290251.db2.gz YFRFWSJIABAERQ-UHFFFAOYSA-N 1 2 344.377 3.798 20 0 EHADLO C[C@]1([NH2+]Cc2nc(CC(F)(F)F)no2)CCCc2ccccc21 ZINC000483751735 1031316088 /nfs/dbraw/zinc/31/60/88/1031316088.db2.gz CNYAZYWUPCQDNU-HNNXBMFYSA-N 1 2 325.334 3.516 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000175261412 1031317557 /nfs/dbraw/zinc/31/75/57/1031317557.db2.gz ZOCLEYWDJSTJDK-YPMHNXCESA-N 1 2 335.860 3.561 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175757599 1031376322 /nfs/dbraw/zinc/37/63/22/1031376322.db2.gz XKAXETHQZOIWOZ-OXQOHEQNSA-N 1 2 331.419 3.891 20 0 EHADLO C[C@](Cc1ccccc1)(NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000666077973 1031380719 /nfs/dbraw/zinc/38/07/19/1031380719.db2.gz PYOFDQRUZPELSJ-JOCHJYFZSA-N 1 2 347.462 3.938 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCOC(C)C ZINC000483973520 1031411156 /nfs/dbraw/zinc/41/11/56/1031411156.db2.gz GJVQBVJLGBNYOG-INIZCTEOSA-N 1 2 327.852 3.691 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCOC(C)C ZINC000483973520 1031411160 /nfs/dbraw/zinc/41/11/60/1031411160.db2.gz GJVQBVJLGBNYOG-INIZCTEOSA-N 1 2 327.852 3.691 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c2c1CCC2 ZINC000448678897 1031412700 /nfs/dbraw/zinc/41/27/00/1031412700.db2.gz ATYBJZUXDMZDJN-UHFFFAOYSA-N 1 2 345.446 3.659 20 0 EHADLO CCOc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(C)c1 ZINC000635392771 1031412795 /nfs/dbraw/zinc/41/27/95/1031412795.db2.gz SAFRNDBVASVJCP-CQSZACIVSA-N 1 2 341.333 3.722 20 0 EHADLO C[C@H](CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)Cn1cc[nH+]c1 ZINC000176383530 1031430331 /nfs/dbraw/zinc/43/03/31/1031430331.db2.gz BQDGRMLTRQIISV-SVHNOVSESA-N 1 2 329.488 3.632 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000484011575 1031430873 /nfs/dbraw/zinc/43/08/73/1031430873.db2.gz RMZQEVFPEOGBMH-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000484011575 1031430886 /nfs/dbraw/zinc/43/08/86/1031430886.db2.gz RMZQEVFPEOGBMH-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C2 ZINC000484015362 1031433124 /nfs/dbraw/zinc/43/31/24/1031433124.db2.gz VPLCGCJTEWFGRE-UHFFFAOYSA-N 1 2 348.899 3.727 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C2 ZINC000484015362 1031433138 /nfs/dbraw/zinc/43/31/38/1031433138.db2.gz VPLCGCJTEWFGRE-UHFFFAOYSA-N 1 2 348.899 3.727 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1O ZINC000116980018 1031489576 /nfs/dbraw/zinc/48/95/76/1031489576.db2.gz LWFBIPCAIQHSQO-UHFFFAOYSA-N 1 2 341.798 3.851 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000176851805 1031495287 /nfs/dbraw/zinc/49/52/87/1031495287.db2.gz KCYORYJAFWXFIT-OAHLLOKOSA-N 1 2 339.443 3.670 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000176851805 1031495307 /nfs/dbraw/zinc/49/53/07/1031495307.db2.gz KCYORYJAFWXFIT-OAHLLOKOSA-N 1 2 339.443 3.670 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000484301466 1031527663 /nfs/dbraw/zinc/52/76/63/1031527663.db2.gz HXGXDVLVQISFQV-UHFFFAOYSA-N 1 2 341.295 3.846 20 0 EHADLO Fc1cccc(F)c1C[N@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000484301466 1031527675 /nfs/dbraw/zinc/52/76/75/1031527675.db2.gz HXGXDVLVQISFQV-UHFFFAOYSA-N 1 2 341.295 3.846 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343588048 1031532120 /nfs/dbraw/zinc/53/21/20/1031532120.db2.gz HIJVXYBMODZQPG-WOJBJXKFSA-N 1 2 331.419 3.938 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177935058 1031595404 /nfs/dbraw/zinc/59/54/04/1031595404.db2.gz TUUXZSXWCKNPEP-AWEZNQCLSA-N 1 2 348.406 3.949 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)OC2CCCCCC2)c1C ZINC000178075558 1031621531 /nfs/dbraw/zinc/62/15/31/1031621531.db2.gz CQNFSFJLXSEFTM-INIZCTEOSA-N 1 2 348.487 3.793 20 0 EHADLO Cc1ccc2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2n1 ZINC000178202718 1031640483 /nfs/dbraw/zinc/64/04/83/1031640483.db2.gz RXTQHIGGSIJTLR-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)cs1 ZINC000060467324 1031641158 /nfs/dbraw/zinc/64/11/58/1031641158.db2.gz QXNNJPCHQMHRNE-CYBMUJFWSA-N 1 2 335.904 3.984 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178501577 1031671657 /nfs/dbraw/zinc/67/16/57/1031671657.db2.gz KQEWJXVVQOCCEE-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178501577 1031671665 /nfs/dbraw/zinc/67/16/65/1031671665.db2.gz KQEWJXVVQOCCEE-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CC12CCSCC2 ZINC000448833372 1031743790 /nfs/dbraw/zinc/74/37/90/1031743790.db2.gz GRZYWMNZVMUDJH-CYBMUJFWSA-N 1 2 347.871 3.998 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000448836815 1031747489 /nfs/dbraw/zinc/74/74/89/1031747489.db2.gz QQBDWLLCIDSCBL-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000117652800 1031786932 /nfs/dbraw/zinc/78/69/32/1031786932.db2.gz SKIBSJMUGBKCDO-HNNXBMFYSA-N 1 2 326.425 3.518 20 0 EHADLO COc1ccccc1-c1nnc(C[NH2+]C(C)(C)c2cccc(F)c2)o1 ZINC000179571608 1031788438 /nfs/dbraw/zinc/78/84/38/1031788438.db2.gz AZGMXSXYNVJFJJ-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000134057490 1031789102 /nfs/dbraw/zinc/78/91/02/1031789102.db2.gz MQBRQVTWQZEWTR-QGZVFWFLSA-N 1 2 342.487 3.669 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCO1 ZINC000179666157 1031799083 /nfs/dbraw/zinc/79/90/83/1031799083.db2.gz DRGUPQIEWISZQE-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCO1 ZINC000179666157 1031799097 /nfs/dbraw/zinc/79/90/97/1031799097.db2.gz DRGUPQIEWISZQE-IBGZPJMESA-N 1 2 343.471 3.654 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000086234060 1031814579 /nfs/dbraw/zinc/81/45/79/1031814579.db2.gz LFGSGPWNXJLQBJ-NSHDSACASA-N 1 2 338.860 3.836 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000086234060 1031814592 /nfs/dbraw/zinc/81/45/92/1031814592.db2.gz LFGSGPWNXJLQBJ-NSHDSACASA-N 1 2 338.860 3.836 20 0 EHADLO CCCCCCN(O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000904171999 1031821063 /nfs/dbraw/zinc/82/10/63/1031821063.db2.gz WUNWNJZAVULAPL-QGZVFWFLSA-N 1 2 344.459 3.685 20 0 EHADLO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117776509 1031851410 /nfs/dbraw/zinc/85/14/10/1031851410.db2.gz VSXRDVVFNLETMG-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccsc3C)CC2)c1 ZINC000448907729 1031867941 /nfs/dbraw/zinc/86/79/41/1031867941.db2.gz IGHBNWZWPODPCR-CQSZACIVSA-N 1 2 344.480 3.584 20 0 EHADLO C[C@H](c1cccc(NC(=O)C(C)(C)C2CCC2)c1)[NH+]1CCOCC1 ZINC000448912164 1031878682 /nfs/dbraw/zinc/87/86/82/1031878682.db2.gz RZNYSWDENYYURV-OAHLLOKOSA-N 1 2 330.472 3.845 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NCc1cc(Cl)sc1Cl ZINC000537749101 1031879353 /nfs/dbraw/zinc/87/93/53/1031879353.db2.gz LTQIRMZOASEVHS-UHFFFAOYSA-N 1 2 347.271 3.531 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)cs3)CC2)c1 ZINC000448915933 1031885146 /nfs/dbraw/zinc/88/51/46/1031885146.db2.gz WYAVKACWAKSUIK-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000528197942 1031887152 /nfs/dbraw/zinc/88/71/52/1031887152.db2.gz KMLJAIICFINITN-UHFFFAOYSA-N 1 2 339.830 3.619 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C2(c3cccnc3)CC3(CCC3)C2)n1 ZINC000904264299 1031890067 /nfs/dbraw/zinc/89/00/67/1031890067.db2.gz HBIPFHQZQDTYGL-UHFFFAOYSA-N 1 2 347.422 3.667 20 0 EHADLO CCC(CC)n1nc(C)cc1-c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269447 1031896284 /nfs/dbraw/zinc/89/62/84/1031896284.db2.gz GNTFEVNIJZXXIT-UHFFFAOYSA-N 1 2 326.404 3.555 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000904267727 1031897035 /nfs/dbraw/zinc/89/70/35/1031897035.db2.gz HSAYTMOSSOIBCS-ZDUSSCGKSA-N 1 2 336.395 3.715 20 0 EHADLO Cc1cc(C(=O)CCc2nc(-c3c[nH+]c(N)cc3C)no2)c(C)s1 ZINC000904272100 1031900091 /nfs/dbraw/zinc/90/00/91/1031900091.db2.gz JTFKBLUICWWWAQ-UHFFFAOYSA-N 1 2 342.424 3.516 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C2(Cc3cccc(F)c3)CCC2)n1 ZINC000904262015 1031907713 /nfs/dbraw/zinc/90/77/13/1031907713.db2.gz VAQWVKHYZIFIEA-UHFFFAOYSA-N 1 2 338.386 3.826 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)Oc2ccc3c(c2)CCC3)n1 ZINC000904272627 1031908383 /nfs/dbraw/zinc/90/83/83/1031908383.db2.gz VECCNNADIKBOEO-LBPRGKRZSA-N 1 2 336.395 3.651 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000347474727 1031977750 /nfs/dbraw/zinc/97/77/50/1031977750.db2.gz WYZXCHBXVQDWNJ-ZDUSSCGKSA-N 1 2 331.485 3.799 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@@H](CO)CCC[C@@H]3C)cs2)cc1 ZINC000181400817 1031986696 /nfs/dbraw/zinc/98/66/96/1031986696.db2.gz GBMFIUCSNHPMIX-DOTOQJQBSA-N 1 2 346.496 3.766 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@@H](CO)CCC[C@@H]3C)cs2)cc1 ZINC000181400817 1031986705 /nfs/dbraw/zinc/98/67/05/1031986705.db2.gz GBMFIUCSNHPMIX-DOTOQJQBSA-N 1 2 346.496 3.766 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000347485931 1031990517 /nfs/dbraw/zinc/99/05/17/1031990517.db2.gz OXEXEPXUGHLHFC-HNNXBMFYSA-N 1 2 325.456 3.737 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccnn2C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000449017091 1032031263 /nfs/dbraw/zinc/03/12/63/1032031263.db2.gz GVCCWTWBSGCFBM-UZLBHIALSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccnn2C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000449017091 1032031275 /nfs/dbraw/zinc/03/12/75/1032031275.db2.gz GVCCWTWBSGCFBM-UZLBHIALSA-N 1 2 325.456 3.960 20 0 EHADLO O=C(c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)N1CCCC1 ZINC000195089294 1032031200 /nfs/dbraw/zinc/03/12/00/1032031200.db2.gz LTQSWTRKULWWFK-UHFFFAOYSA-N 1 2 346.434 3.720 20 0 EHADLO CC[C@@H](C)Sc1ccc(NC(=O)NCCc2cn(C)c[nH+]2)c(C)c1 ZINC000459398258 1032036995 /nfs/dbraw/zinc/03/69/95/1032036995.db2.gz YJGCNNMOPHCUOV-CQSZACIVSA-N 1 2 346.500 3.983 20 0 EHADLO Clc1cc(CN2CC[NH+](Cc3ccccn3)CC2)c(Cl)s1 ZINC000449008303 1032046882 /nfs/dbraw/zinc/04/68/82/1032046882.db2.gz IZBMWDDPWSIMCB-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO CCc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C ZINC000181988052 1032050520 /nfs/dbraw/zinc/05/05/20/1032050520.db2.gz UXXYDGRXSDYCFI-UHFFFAOYSA-N 1 2 338.455 3.743 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC000574566552 1033299085 /nfs/dbraw/zinc/29/90/85/1033299085.db2.gz WNQVUUFUTWIQPB-WRWLIDTKSA-N 1 2 325.456 3.875 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1=S ZINC000173401333 1033302395 /nfs/dbraw/zinc/30/23/95/1033302395.db2.gz FCRINDHRPNZQPL-OAHLLOKOSA-N 1 2 348.541 3.814 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1=S ZINC000173401333 1033302410 /nfs/dbraw/zinc/30/24/10/1033302410.db2.gz FCRINDHRPNZQPL-OAHLLOKOSA-N 1 2 348.541 3.814 20 0 EHADLO CCN(CCSC)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603019561 1033315501 /nfs/dbraw/zinc/31/55/01/1033315501.db2.gz BZRUDEJNROWAGG-UHFFFAOYSA-N 1 2 332.473 3.518 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000574635301 1033327221 /nfs/dbraw/zinc/32/72/21/1033327221.db2.gz LAHIXJPOSDUTPP-LSDHHAIUSA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000574635301 1033327234 /nfs/dbraw/zinc/32/72/34/1033327234.db2.gz LAHIXJPOSDUTPP-LSDHHAIUSA-N 1 2 327.428 3.749 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccncc1 ZINC000173440223 1033333515 /nfs/dbraw/zinc/33/35/15/1033333515.db2.gz NZJRJDYRPPIGHL-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC3(CCCC3)C2)nc1-c1ccncc1 ZINC000173440223 1033333527 /nfs/dbraw/zinc/33/35/27/1033333527.db2.gz NZJRJDYRPPIGHL-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442806 1033336509 /nfs/dbraw/zinc/33/65/09/1033336509.db2.gz UKSOPYHRKCGJNA-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442806 1033336525 /nfs/dbraw/zinc/33/65/25/1033336525.db2.gz UKSOPYHRKCGJNA-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO CCCC[C@H](COC)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104287 1033352388 /nfs/dbraw/zinc/35/23/88/1033352388.db2.gz CYWRIVLQJJBENB-RHSMWYFYSA-N 1 2 337.414 3.583 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cnn(CC2CCC2)c1 ZINC000898176879 1033378123 /nfs/dbraw/zinc/37/81/23/1033378123.db2.gz FVBZMLHHRMCYMN-HNNXBMFYSA-N 1 2 335.455 3.924 20 0 EHADLO COc1ccc(Nc2nn(C[N@@H+]3CCC[C@H]3C)c(=S)s2)cc1 ZINC000173527743 1033400031 /nfs/dbraw/zinc/40/00/31/1033400031.db2.gz RNCTZSSUQBHGCV-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO COc1ccc(Nc2nn(C[N@H+]3CCC[C@H]3C)c(=S)s2)cc1 ZINC000173527743 1033400044 /nfs/dbraw/zinc/40/00/44/1033400044.db2.gz RNCTZSSUQBHGCV-LLVKDONJSA-N 1 2 336.486 3.868 20 0 EHADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1[nH]cc[nH+]1 ZINC000171756605 1033413863 /nfs/dbraw/zinc/41/38/63/1033413863.db2.gz RCYZKZPLIYHTQG-VIFPVBQESA-N 1 2 344.267 3.556 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000635569380 1033425022 /nfs/dbraw/zinc/42/50/22/1033425022.db2.gz TUIZKMFAIZDGKA-ZBFHGGJFSA-N 1 2 341.377 3.726 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000358135432 1033444630 /nfs/dbraw/zinc/44/46/30/1033444630.db2.gz KCUKMEVGLPKRLP-UHFFFAOYSA-N 1 2 346.434 3.572 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)cc(C)cc2F)n1 ZINC000898313107 1033450236 /nfs/dbraw/zinc/45/02/36/1033450236.db2.gz SJWWFJBJUIFWJG-UHFFFAOYSA-N 1 2 339.411 3.824 20 0 EHADLO O=C(COc1c(Cl)cccc1Cl)Nc1cccc2[nH+]ccn21 ZINC000460333916 1033500860 /nfs/dbraw/zinc/50/08/60/1033500860.db2.gz JGBMUTVCKJNDRM-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO CCc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608208938 1033544890 /nfs/dbraw/zinc/54/48/90/1033544890.db2.gz ZUISCCIERWBIPJ-IBGZPJMESA-N 1 2 333.435 3.696 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC001168295303 1033547997 /nfs/dbraw/zinc/54/79/97/1033547997.db2.gz KQGYFYACBHIVFY-ROUUACIJSA-N 1 2 333.472 3.818 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC001168295303 1033548005 /nfs/dbraw/zinc/54/80/05/1033548005.db2.gz KQGYFYACBHIVFY-ROUUACIJSA-N 1 2 333.472 3.818 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC000120272955 1033554147 /nfs/dbraw/zinc/55/41/47/1033554147.db2.gz SEWVZLZAUFWDGG-DLBZAZTESA-N 1 2 331.504 3.808 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1SCCc2ccccc21 ZINC000173867244 1033566182 /nfs/dbraw/zinc/56/61/82/1033566182.db2.gz HWDLIZDCNGGDOA-LJQANCHMSA-N 1 2 349.459 3.519 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1N(C)C1CCCC1)n1cc[nH+]c1 ZINC000574814992 1033568702 /nfs/dbraw/zinc/56/87/02/1033568702.db2.gz OKVPGWKKFJJLAQ-OAHLLOKOSA-N 1 2 326.444 3.852 20 0 EHADLO FC(F)(F)[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000685564873 1033572165 /nfs/dbraw/zinc/57/21/65/1033572165.db2.gz QFXOSURTASZVOL-AWEZNQCLSA-N 1 2 332.753 3.558 20 0 EHADLO FC(F)(F)[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000685564873 1033572174 /nfs/dbraw/zinc/57/21/74/1033572174.db2.gz QFXOSURTASZVOL-AWEZNQCLSA-N 1 2 332.753 3.558 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)cc3C)CC2)o1 ZINC000685584825 1033587061 /nfs/dbraw/zinc/58/70/61/1033587061.db2.gz CVNOJNUXZRKFMF-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1nc(C)c(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)o1 ZINC000685584825 1033587078 /nfs/dbraw/zinc/58/70/78/1033587078.db2.gz CVNOJNUXZRKFMF-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCC1CCCCC1 ZINC000685604072 1033611370 /nfs/dbraw/zinc/61/13/70/1033611370.db2.gz DJYIKVPEXYLLHH-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000608313919 1033613381 /nfs/dbraw/zinc/61/33/81/1033613381.db2.gz UHCYCARLJYFXMR-AWEZNQCLSA-N 1 2 338.411 3.658 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000608313920 1033614814 /nfs/dbraw/zinc/61/48/14/1033614814.db2.gz UHCYCARLJYFXMR-CQSZACIVSA-N 1 2 338.411 3.658 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140704501 1033621793 /nfs/dbraw/zinc/62/17/93/1033621793.db2.gz SZOMPIIPDLDFCM-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140704501 1033621802 /nfs/dbraw/zinc/62/18/02/1033621802.db2.gz SZOMPIIPDLDFCM-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)s1 ZINC000598975520 1033622793 /nfs/dbraw/zinc/62/27/93/1033622793.db2.gz JWOTVBAKHKTCAI-SECBINFHSA-N 1 2 339.486 3.714 20 0 EHADLO Cc1nnsc1C[N@@H+](C)Cc1ccc(Br)cc1C ZINC000574881823 1033671971 /nfs/dbraw/zinc/67/19/71/1033671971.db2.gz XZFDFZAIXQWKLK-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1nnsc1C[N@H+](C)Cc1ccc(Br)cc1C ZINC000574881823 1033671979 /nfs/dbraw/zinc/67/19/79/1033671979.db2.gz XZFDFZAIXQWKLK-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC[C@H](CC(C)C)C2)c(=S)n1C ZINC000174081583 1033726693 /nfs/dbraw/zinc/72/66/93/1033726693.db2.gz ZZKOVFCFVIVBIM-CQSZACIVSA-N 1 2 334.489 3.845 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c(=S)n1C ZINC000174081583 1033726709 /nfs/dbraw/zinc/72/67/09/1033726709.db2.gz ZZKOVFCFVIVBIM-CQSZACIVSA-N 1 2 334.489 3.845 20 0 EHADLO Fc1cccc(-n2ccc(C[NH+]3CCC(C(F)(F)F)CC3)n2)c1 ZINC000608507743 1033735062 /nfs/dbraw/zinc/73/50/62/1033735062.db2.gz JPNAFMZMCUXAFD-UHFFFAOYSA-N 1 2 327.325 3.786 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000132104540 1033749138 /nfs/dbraw/zinc/74/91/38/1033749138.db2.gz GMHVPJUYTGEVHK-SNVBAGLBSA-N 1 2 343.818 3.608 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1C[C@@H]1C(F)F ZINC000511321169 1033772924 /nfs/dbraw/zinc/77/29/24/1033772924.db2.gz IUKLOZGGZJMBIJ-GJZGRUSLSA-N 1 2 331.366 3.726 20 0 EHADLO CC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000685687008 1033786519 /nfs/dbraw/zinc/78/65/19/1033786519.db2.gz RMKBRIFIXFLZOT-FQEVSTJZSA-N 1 2 339.483 3.949 20 0 EHADLO CC[N@H+](CCc1nccs1)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595389252 1033787407 /nfs/dbraw/zinc/78/74/07/1033787407.db2.gz OGIGNKQQYHWABC-OAHLLOKOSA-N 1 2 338.860 3.575 20 0 EHADLO CC[N@@H+](CCc1nccs1)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595389252 1033787424 /nfs/dbraw/zinc/78/74/24/1033787424.db2.gz OGIGNKQQYHWABC-OAHLLOKOSA-N 1 2 338.860 3.575 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)c1nccs1 ZINC000595427136 1033799166 /nfs/dbraw/zinc/79/91/66/1033799166.db2.gz RBZHMGBPWATUBK-FZMZJTMJSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000595427136 1033799183 /nfs/dbraw/zinc/79/91/83/1033799183.db2.gz RBZHMGBPWATUBK-FZMZJTMJSA-N 1 2 338.860 3.746 20 0 EHADLO CCC[C@H](C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174190652 1033814349 /nfs/dbraw/zinc/81/43/49/1033814349.db2.gz XYVXAZXIQHDEEG-INIZCTEOSA-N 1 2 331.504 3.664 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)cc1C ZINC000599296618 1033861135 /nfs/dbraw/zinc/86/11/35/1033861135.db2.gz AIFNATHNDUOQFF-INIZCTEOSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)cc1C ZINC000599296618 1033861154 /nfs/dbraw/zinc/86/11/54/1033861154.db2.gz AIFNATHNDUOQFF-INIZCTEOSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(C)c1 ZINC000450194852 1033875804 /nfs/dbraw/zinc/87/58/04/1033875804.db2.gz IGQIBCVAXDJMOP-UMGGQSCQSA-N 1 2 337.467 3.794 20 0 EHADLO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)OC(C)(C)C ZINC000608780294 1033884605 /nfs/dbraw/zinc/88/46/05/1033884605.db2.gz XWHYIYBEAYBHHZ-UHFFFAOYSA-N 1 2 348.418 3.687 20 0 EHADLO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)OC(C)(C)C ZINC000608780294 1033884623 /nfs/dbraw/zinc/88/46/23/1033884623.db2.gz XWHYIYBEAYBHHZ-UHFFFAOYSA-N 1 2 348.418 3.687 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000055055002 1033908513 /nfs/dbraw/zinc/90/85/13/1033908513.db2.gz AXWZBZKJDASECX-QGZVFWFLSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000055055002 1033908523 /nfs/dbraw/zinc/90/85/23/1033908523.db2.gz AXWZBZKJDASECX-QGZVFWFLSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785683 1033920025 /nfs/dbraw/zinc/92/00/25/1033920025.db2.gz VBHFFBPLKFVBNT-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)C1CCCC1 ZINC000476479014 1033931081 /nfs/dbraw/zinc/93/10/81/1033931081.db2.gz DLTMXHNQXPKNIU-UHFFFAOYSA-N 1 2 349.425 3.956 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(Cc2ccccc2)CC1 ZINC000176991579 1033956729 /nfs/dbraw/zinc/95/67/29/1033956729.db2.gz YERLBRKSKMVAPQ-UHFFFAOYSA-N 1 2 331.419 3.511 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000450239300 1033962067 /nfs/dbraw/zinc/96/20/67/1033962067.db2.gz AAFMBZDSXKNZJT-MRXNPFEDSA-N 1 2 341.455 3.617 20 0 EHADLO CC(=O)c1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000450253726 1033973418 /nfs/dbraw/zinc/97/34/18/1033973418.db2.gz PQYNKDKWGNNHOU-UHFFFAOYSA-N 1 2 342.483 3.504 20 0 EHADLO CC(=O)c1cccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000450253726 1033973431 /nfs/dbraw/zinc/97/34/31/1033973431.db2.gz PQYNKDKWGNNHOU-UHFFFAOYSA-N 1 2 342.483 3.504 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCN(CCCn2cc[nH+]c2)c2ccccc21 ZINC000595752189 1033982697 /nfs/dbraw/zinc/98/26/97/1033982697.db2.gz ITWZCTIJVYLXGS-QGZVFWFLSA-N 1 2 341.455 3.609 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1Cl ZINC000450246877 1033985682 /nfs/dbraw/zinc/98/56/82/1033985682.db2.gz SBADSMQVQCUDPY-LLVKDONJSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c[nH+]1 ZINC000529470230 1033996931 /nfs/dbraw/zinc/99/69/31/1033996931.db2.gz ZYUTYFOZQNRPGR-CGTJXYLNSA-N 1 2 326.827 3.554 20 0 EHADLO C[C@@H](c1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000455979296 1034003448 /nfs/dbraw/zinc/00/34/48/1034003448.db2.gz BFTXUCOGSPCTSG-ZDUSSCGKSA-N 1 2 339.361 3.711 20 0 EHADLO O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000603885494 1034009332 /nfs/dbraw/zinc/00/93/32/1034009332.db2.gz VGGQCRHLQXSGBJ-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC000595826273 1034014064 /nfs/dbraw/zinc/01/40/64/1034014064.db2.gz LOHFUEVGKAZKHL-GOEBONIOSA-N 1 2 346.500 3.594 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC000595826273 1034014089 /nfs/dbraw/zinc/01/40/89/1034014089.db2.gz LOHFUEVGKAZKHL-GOEBONIOSA-N 1 2 346.500 3.594 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)s2)n1 ZINC000658159557 1034015990 /nfs/dbraw/zinc/01/59/90/1034015990.db2.gz RPCSFPYRTYGXFB-LBPRGKRZSA-N 1 2 328.441 3.530 20 0 EHADLO Cc1cccc2c1CCCN2C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000603926098 1034036390 /nfs/dbraw/zinc/03/63/90/1034036390.db2.gz HFDJNVFEOOHPJW-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000603944137 1034063060 /nfs/dbraw/zinc/06/30/60/1034063060.db2.gz IAKZTHFVABJDBP-SFHVURJKSA-N 1 2 330.378 3.913 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000603944137 1034063071 /nfs/dbraw/zinc/06/30/71/1034063071.db2.gz IAKZTHFVABJDBP-SFHVURJKSA-N 1 2 330.378 3.913 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074870021 1034065329 /nfs/dbraw/zinc/06/53/29/1034065329.db2.gz YTTJFMNNIWBJLV-SJLPKXTDSA-N 1 2 340.471 3.536 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ncc(Br)s1 ZINC000658235412 1034101841 /nfs/dbraw/zinc/10/18/41/1034101841.db2.gz DEIPFWAVMMAJEQ-PELKAZGASA-N 1 2 339.258 3.949 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450318880 1034126997 /nfs/dbraw/zinc/12/69/97/1034126997.db2.gz XIERWIFKNFKHEF-DLBZAZTESA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000450318880 1034127003 /nfs/dbraw/zinc/12/70/03/1034127003.db2.gz XIERWIFKNFKHEF-DLBZAZTESA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1(C)C ZINC000604033997 1034162725 /nfs/dbraw/zinc/16/27/25/1034162725.db2.gz BYSVBQMHBUXEGA-QRQLOZEOSA-N 1 2 341.499 3.525 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)CC(C)(C)C ZINC000604034868 1034163036 /nfs/dbraw/zinc/16/30/36/1034163036.db2.gz KHTNPFLGLDHLLZ-DLBZAZTESA-N 1 2 331.504 3.749 20 0 EHADLO O=C(OCc1ncc(C2CC2)o1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000760523173 1034171887 /nfs/dbraw/zinc/17/18/87/1034171887.db2.gz WXBISYPPVNJLKM-KRWDZBQOSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1ncc(C2CC2)o1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000760523173 1034171898 /nfs/dbraw/zinc/17/18/98/1034171898.db2.gz WXBISYPPVNJLKM-KRWDZBQOSA-N 1 2 340.423 3.650 20 0 EHADLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120835015 1034180229 /nfs/dbraw/zinc/18/02/29/1034180229.db2.gz NKACLLWBPKTVES-GJZGRUSLSA-N 1 2 329.469 3.564 20 0 EHADLO COCC[N@H+](Cc1ccsc1C(F)(F)F)Cc1ccccn1 ZINC000529564490 1034180457 /nfs/dbraw/zinc/18/04/57/1034180457.db2.gz CWMWOMAITBWSLL-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO COCC[N@@H+](Cc1ccsc1C(F)(F)F)Cc1ccccn1 ZINC000529564490 1034180470 /nfs/dbraw/zinc/18/04/70/1034180470.db2.gz CWMWOMAITBWSLL-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000450356142 1034193243 /nfs/dbraw/zinc/19/32/43/1034193243.db2.gz GBTIRFRBJWZBIN-ZDUSSCGKSA-N 1 2 334.851 3.730 20 0 EHADLO Cc1cc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)cc[nH+]1 ZINC000120885702 1034198696 /nfs/dbraw/zinc/19/86/96/1034198696.db2.gz OVJKOPDFZFTFTO-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO Cn1nnc2cc(C[N@@H+]3CCc4c(Cl)cc(Cl)cc4C3)ccc21 ZINC000537621238 1034205613 /nfs/dbraw/zinc/20/56/13/1034205613.db2.gz CUGGRSMFIGSUSI-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO Cn1nnc2cc(C[N@H+]3CCc4c(Cl)cc(Cl)cc4C3)ccc21 ZINC000537621238 1034205626 /nfs/dbraw/zinc/20/56/26/1034205626.db2.gz CUGGRSMFIGSUSI-UHFFFAOYSA-N 1 2 347.249 3.833 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(F)cc1OC ZINC000529565440 1034215479 /nfs/dbraw/zinc/21/54/79/1034215479.db2.gz KPPGWWSXGGVEPM-QGZVFWFLSA-N 1 2 330.403 3.965 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(F)cc1OC ZINC000529565440 1034215490 /nfs/dbraw/zinc/21/54/90/1034215490.db2.gz KPPGWWSXGGVEPM-QGZVFWFLSA-N 1 2 330.403 3.965 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000119751747 1034237937 /nfs/dbraw/zinc/23/79/37/1034237937.db2.gz OKNGMFPYEPSAHT-ZWKOTPCHSA-N 1 2 329.488 3.797 20 0 EHADLO CCC(CC)(CC)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120983944 1034282968 /nfs/dbraw/zinc/28/29/68/1034282968.db2.gz LYKJCQLEDXBOKY-INIZCTEOSA-N 1 2 334.508 3.601 20 0 EHADLO CC(=O)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000450437418 1034330354 /nfs/dbraw/zinc/33/03/54/1034330354.db2.gz KMKHQTRFCQYCPJ-VBKZILBWSA-N 1 2 327.399 3.990 20 0 EHADLO CC(=O)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000450437418 1034330369 /nfs/dbraw/zinc/33/03/69/1034330369.db2.gz KMKHQTRFCQYCPJ-VBKZILBWSA-N 1 2 327.399 3.990 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C(C)(C)CO1 ZINC000604388154 1034359948 /nfs/dbraw/zinc/35/99/48/1034359948.db2.gz BAGMXUXGBRQPCD-UHFFFAOYSA-N 1 2 339.863 3.891 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C(C)(C)CO1 ZINC000604388154 1034359960 /nfs/dbraw/zinc/35/99/60/1034359960.db2.gz BAGMXUXGBRQPCD-UHFFFAOYSA-N 1 2 339.863 3.891 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000302811549 1034367878 /nfs/dbraw/zinc/36/78/78/1034367878.db2.gz WTQZJBBEURLAGE-AWEZNQCLSA-N 1 2 338.879 3.572 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000302811549 1034367890 /nfs/dbraw/zinc/36/78/90/1034367890.db2.gz WTQZJBBEURLAGE-AWEZNQCLSA-N 1 2 338.879 3.572 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456142 1034368676 /nfs/dbraw/zinc/36/86/76/1034368676.db2.gz SDERBNRHWOIBJB-YPMHNXCESA-N 1 2 344.402 3.758 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456142 1034368689 /nfs/dbraw/zinc/36/86/89/1034368689.db2.gz SDERBNRHWOIBJB-YPMHNXCESA-N 1 2 344.402 3.758 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)C3CC3)n2)C1 ZINC000534297551 1034384278 /nfs/dbraw/zinc/38/42/78/1034384278.db2.gz DBVWVUFRZWCRTO-LBPRGKRZSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)C3CC3)n2)C1 ZINC000534297551 1034384291 /nfs/dbraw/zinc/38/42/91/1034384291.db2.gz DBVWVUFRZWCRTO-LBPRGKRZSA-N 1 2 336.505 3.685 20 0 EHADLO CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)[C@H](C)c1cccc(O)c1 ZINC000450472173 1034387904 /nfs/dbraw/zinc/38/79/04/1034387904.db2.gz LGFHAIZULRJVQD-CQSZACIVSA-N 1 2 338.411 3.729 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)[C@H](C)c1cccc(O)c1 ZINC000450472173 1034387919 /nfs/dbraw/zinc/38/79/19/1034387919.db2.gz LGFHAIZULRJVQD-CQSZACIVSA-N 1 2 338.411 3.729 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c(C)c[nH+]1 ZINC000534323602 1034399930 /nfs/dbraw/zinc/39/99/30/1034399930.db2.gz ITCBMVHLBUIJQO-VOJFVSQTSA-N 1 2 327.403 3.705 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H](c2ccccc2)O1 ZINC000534349192 1034422389 /nfs/dbraw/zinc/42/23/89/1034422389.db2.gz PEMPAPPIBRZHPN-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H](c2ccccc2)O1 ZINC000534349192 1034422393 /nfs/dbraw/zinc/42/23/93/1034422393.db2.gz PEMPAPPIBRZHPN-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000081956857 1034423495 /nfs/dbraw/zinc/42/34/95/1034423495.db2.gz NAHYUHJJMXCJNJ-IBGZPJMESA-N 1 2 344.418 3.615 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636027970 1034449967 /nfs/dbraw/zinc/44/99/67/1034449967.db2.gz IZLLQMDIUKHELN-UPJWGTAASA-N 1 2 331.382 3.708 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000604769958 1034486143 /nfs/dbraw/zinc/48/61/43/1034486143.db2.gz BAPHCTSPQMRZNV-KRWDZBQOSA-N 1 2 328.412 3.772 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121185229 1034494173 /nfs/dbraw/zinc/49/41/73/1034494173.db2.gz OFAGPHANJNJPLN-OAHLLOKOSA-N 1 2 327.302 3.752 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121185229 1034494183 /nfs/dbraw/zinc/49/41/83/1034494183.db2.gz OFAGPHANJNJPLN-OAHLLOKOSA-N 1 2 327.302 3.752 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000023667104 1034502178 /nfs/dbraw/zinc/50/21/78/1034502178.db2.gz OHODEJRLUBRFIP-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000023667104 1034502183 /nfs/dbraw/zinc/50/21/83/1034502183.db2.gz OHODEJRLUBRFIP-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO c1c2ccccc2[nH]c1[C@H]1CCCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450553869 1034530837 /nfs/dbraw/zinc/53/08/37/1034530837.db2.gz JPNGXVNBAWKHFW-HXUWFJFHSA-N 1 2 335.455 3.897 20 0 EHADLO c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450553869 1034530845 /nfs/dbraw/zinc/53/08/45/1034530845.db2.gz JPNGXVNBAWKHFW-HXUWFJFHSA-N 1 2 335.455 3.897 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cccc(OC(C)C)c2)cc1 ZINC000060454629 1034547092 /nfs/dbraw/zinc/54/70/92/1034547092.db2.gz WVFPUZOVAZFPST-UHFFFAOYSA-N 1 2 328.412 3.514 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1Cl ZINC000597145361 1034562574 /nfs/dbraw/zinc/56/25/74/1034562574.db2.gz HPAWMSMNNXZZSV-UHFFFAOYSA-N 1 2 335.753 3.901 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc3ccsc32)C1 ZINC000534484589 1034592210 /nfs/dbraw/zinc/59/22/10/1034592210.db2.gz OCKIQCOMQWSZRG-ZDUSSCGKSA-N 1 2 326.425 3.656 20 0 EHADLO OC1(c2ccccc2C(F)(F)F)CC[NH+](Cc2cscn2)CC1 ZINC000278787002 1034612176 /nfs/dbraw/zinc/61/21/76/1034612176.db2.gz NYIBLDJKOCQJGN-UHFFFAOYSA-N 1 2 342.386 3.646 20 0 EHADLO CCOc1ccc(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000050254229 1034618371 /nfs/dbraw/zinc/61/83/71/1034618371.db2.gz PESWQFFWLOQKIR-UHFFFAOYSA-N 1 2 345.468 3.592 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728609557 1034625115 /nfs/dbraw/zinc/62/51/15/1034625115.db2.gz JGFKOIZNVJENDF-HNNXBMFYSA-N 1 2 340.814 3.562 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)[C@H]1C ZINC000605155563 1034655652 /nfs/dbraw/zinc/65/56/52/1034655652.db2.gz UXAKELFZCVNYIT-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)[C@H]1C ZINC000605155563 1034655660 /nfs/dbraw/zinc/65/56/60/1034655660.db2.gz UXAKELFZCVNYIT-KCITZHQASA-N 1 2 346.540 3.717 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccc(F)cc1F ZINC000450687028 1034689378 /nfs/dbraw/zinc/68/93/78/1034689378.db2.gz VDJLAUQMHFUPAJ-ZDUSSCGKSA-N 1 2 340.395 3.839 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605392358 1034726454 /nfs/dbraw/zinc/72/64/54/1034726454.db2.gz BWSAEFVZILKZGM-APWZRJJASA-N 1 2 325.456 3.830 20 0 EHADLO CC(C)(c1ccc(F)cc1)C1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000456783645 1034730146 /nfs/dbraw/zinc/73/01/46/1034730146.db2.gz URKQGYFKTFOGIY-OAHLLOKOSA-N 1 2 341.430 3.595 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000728611472 1034758363 /nfs/dbraw/zinc/75/83/63/1034758363.db2.gz HZBVHSFGYARIIO-YJBOKZPZSA-N 1 2 343.471 3.616 20 0 EHADLO CC(C)c1ccc(SCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000605543141 1034770129 /nfs/dbraw/zinc/77/01/29/1034770129.db2.gz LQQHXLJZPNAOCD-UHFFFAOYSA-N 1 2 343.496 3.916 20 0 EHADLO CC[C@@H](CC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(OC)cc1 ZINC000456834607 1034777946 /nfs/dbraw/zinc/77/79/46/1034777946.db2.gz HTZXWFKHHPYNGX-INIZCTEOSA-N 1 2 326.440 3.907 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2ncccc2Oc2ccccc2)c1 ZINC000669615982 1034781270 /nfs/dbraw/zinc/78/12/70/1034781270.db2.gz QDMKVIBJTYJYIP-UHFFFAOYSA-N 1 2 334.379 3.587 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324505 1034784796 /nfs/dbraw/zinc/78/47/96/1034784796.db2.gz BJRJEUYWARTYQX-AEFFLSMTSA-N 1 2 344.503 3.792 20 0 EHADLO CCOc1ccc(SCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456861668 1034794529 /nfs/dbraw/zinc/79/45/29/1034794529.db2.gz OXQFKGRFCFWRGH-UHFFFAOYSA-N 1 2 330.453 3.506 20 0 EHADLO Cc1cc(C(=O)CCC(=O)NCc2c[nH+]c(C)cc2C)c(C)s1 ZINC000456861565 1034795782 /nfs/dbraw/zinc/79/57/82/1034795782.db2.gz OPMBBDXASAWHQD-UHFFFAOYSA-N 1 2 330.453 3.656 20 0 EHADLO CSc1ccc(O[C@@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456855203 1034811160 /nfs/dbraw/zinc/81/11/60/1034811160.db2.gz ZKGLWSBSPUBDNV-AWEZNQCLSA-N 1 2 330.453 3.504 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121319557 1034821474 /nfs/dbraw/zinc/82/14/74/1034821474.db2.gz QRPAZNJHYYOXPV-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121319557 1034821491 /nfs/dbraw/zinc/82/14/91/1034821491.db2.gz QRPAZNJHYYOXPV-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000303302488 1034876798 /nfs/dbraw/zinc/87/67/98/1034876798.db2.gz ITQRKVRNMCVPNS-UHFFFAOYSA-N 1 2 346.906 3.609 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000530036784 1034888652 /nfs/dbraw/zinc/88/86/52/1034888652.db2.gz FHBSJHSTUSYNTN-YOEHRIQHSA-N 1 2 329.419 3.768 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4ccco4)C3)cc(=O)oc2c1C ZINC000121402446 1034934940 /nfs/dbraw/zinc/93/49/40/1034934940.db2.gz GKCZYGMTOCWMHW-SFHVURJKSA-N 1 2 339.391 3.576 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](c4ccco4)C3)cc(=O)oc2c1C ZINC000121402446 1034934948 /nfs/dbraw/zinc/93/49/48/1034934948.db2.gz GKCZYGMTOCWMHW-SFHVURJKSA-N 1 2 339.391 3.576 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000612442442 1034938250 /nfs/dbraw/zinc/93/82/50/1034938250.db2.gz WUOCRVDQRFXUIQ-RTBURBONSA-N 1 2 333.435 3.610 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934425 1034950863 /nfs/dbraw/zinc/95/08/63/1034950863.db2.gz WFYMFSRCRBLINJ-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934425 1034950872 /nfs/dbraw/zinc/95/08/72/1034950872.db2.gz WFYMFSRCRBLINJ-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(OC(F)F)c(F)c1 ZINC000375932496 1034956467 /nfs/dbraw/zinc/95/64/67/1034956467.db2.gz NVDDCSVLVYAZAB-UHFFFAOYSA-N 1 2 339.361 3.592 20 0 EHADLO CCC(CC)[N@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)C1CC1 ZINC000530097370 1034958307 /nfs/dbraw/zinc/95/83/07/1034958307.db2.gz WZTNZAFQQPQSGL-UHFFFAOYSA-N 1 2 347.409 3.799 20 0 EHADLO CCC(CC)[N@@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)C1CC1 ZINC000530097370 1034958316 /nfs/dbraw/zinc/95/83/16/1034958316.db2.gz WZTNZAFQQPQSGL-UHFFFAOYSA-N 1 2 347.409 3.799 20 0 EHADLO Cc1ccc(-c2nc(CO[NH+]=C(N)Cc3ccccc3)cs2)o1 ZINC000065947879 1035011135 /nfs/dbraw/zinc/01/11/35/1035011135.db2.gz YNGXLQZUAQIHPF-UHFFFAOYSA-N 1 2 327.409 3.743 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451024210 1035020276 /nfs/dbraw/zinc/02/02/76/1035020276.db2.gz NDJIKFKCPUDQGD-KRWDZBQOSA-N 1 2 349.478 3.611 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451024210 1035020282 /nfs/dbraw/zinc/02/02/82/1035020282.db2.gz NDJIKFKCPUDQGD-KRWDZBQOSA-N 1 2 349.478 3.611 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451011411 1035027758 /nfs/dbraw/zinc/02/77/58/1035027758.db2.gz ASFUJMCIAUFAJW-QGZVFWFLSA-N 1 2 343.862 3.867 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451011411 1035027769 /nfs/dbraw/zinc/02/77/69/1035027769.db2.gz ASFUJMCIAUFAJW-QGZVFWFLSA-N 1 2 343.862 3.867 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451023693 1035029812 /nfs/dbraw/zinc/02/98/12/1035029812.db2.gz LTAFNICFRYLFHX-OAQYLSRUSA-N 1 2 349.478 3.828 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451023693 1035029816 /nfs/dbraw/zinc/02/98/16/1035029816.db2.gz LTAFNICFRYLFHX-OAQYLSRUSA-N 1 2 349.478 3.828 20 0 EHADLO OC[C@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000628272470 1035034715 /nfs/dbraw/zinc/03/47/15/1035034715.db2.gz OWXDBCROUMKXOJ-NXEZZACHSA-N 1 2 347.324 3.760 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000628272470 1035034720 /nfs/dbraw/zinc/03/47/20/1035034720.db2.gz OWXDBCROUMKXOJ-NXEZZACHSA-N 1 2 347.324 3.760 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1 ZINC000451037650 1035038554 /nfs/dbraw/zinc/03/85/54/1035038554.db2.gz PTOBYNMVRIEVRH-CQSZACIVSA-N 1 2 347.768 3.576 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cc(Cl)sc1Cl)c1cccc(O)c1 ZINC000451044049 1035050678 /nfs/dbraw/zinc/05/06/78/1035050678.db2.gz UQTOBADTRDHLDF-AWEZNQCLSA-N 1 2 332.252 3.758 20 0 EHADLO FC(F)C1C[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000628307121 1035127812 /nfs/dbraw/zinc/12/78/12/1035127812.db2.gz OJYANPPWFDANKU-UHFFFAOYSA-N 1 2 348.216 3.598 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)s1 ZINC000289753876 1035282150 /nfs/dbraw/zinc/28/21/50/1035282150.db2.gz IIPPVMFBCWZSLV-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C2CCCC2)c1 ZINC000612903997 1035290736 /nfs/dbraw/zinc/29/07/36/1035290736.db2.gz DVYYKSLOXVAIFV-IBGZPJMESA-N 1 2 335.451 3.748 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(C(F)(F)F)c1 ZINC000376118929 1035293556 /nfs/dbraw/zinc/29/35/56/1035293556.db2.gz VKPHFANGLJXOHK-UHFFFAOYSA-N 1 2 337.345 3.510 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)n2)cc1OCCC ZINC000924563350 1035355629 /nfs/dbraw/zinc/35/56/29/1035355629.db2.gz KBQDARLTXPBYBF-HUUCEWRRSA-N 1 2 346.475 3.805 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2c(C)cccc2C)c1C ZINC000892517971 1035376546 /nfs/dbraw/zinc/37/65/46/1035376546.db2.gz WJBGUWOUCOZJLJ-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO C[C@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000636238038 1035381114 /nfs/dbraw/zinc/38/11/14/1035381114.db2.gz SPJHJSDEGOHIBJ-TZMCWYRMSA-N 1 2 331.382 3.709 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376189283 1035394484 /nfs/dbraw/zinc/39/44/84/1035394484.db2.gz BWVWAPOFUSSKKR-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376189283 1035394488 /nfs/dbraw/zinc/39/44/88/1035394488.db2.gz BWVWAPOFUSSKKR-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)o2)cs1 ZINC000414059451 1035419600 /nfs/dbraw/zinc/41/96/00/1035419600.db2.gz IPTWZSBJYLEUSY-NSHDSACASA-N 1 2 328.441 3.705 20 0 EHADLO CC(C)c1ccc(-c2noc(C[NH2+]C(C)(C)c3cnn(C)c3)n2)cc1 ZINC000545292973 1035451435 /nfs/dbraw/zinc/45/14/35/1035451435.db2.gz QXCUXHASADUPDG-UHFFFAOYSA-N 1 2 339.443 3.618 20 0 EHADLO O=C(/C=C\c1ccncc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492248245 1035523573 /nfs/dbraw/zinc/52/35/73/1035523573.db2.gz LDIXJVFRSMSHSO-FPLPWBNLSA-N 1 2 342.402 3.649 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCC[C@H]3CCCCO3)c12 ZINC000186078199 1035577586 /nfs/dbraw/zinc/57/75/86/1035577586.db2.gz VFIOFABRIWYBMH-MRXNPFEDSA-N 1 2 337.427 3.577 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cccc2c[nH]nc21 ZINC000463529087 1035586738 /nfs/dbraw/zinc/58/67/38/1035586738.db2.gz TWIHYXZKLYRFGK-UHFFFAOYSA-N 1 2 325.803 3.620 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(OC(F)F)c1 ZINC000414120598 1035614444 /nfs/dbraw/zinc/61/44/44/1035614444.db2.gz YAIRMSVBAWSWMZ-LBPRGKRZSA-N 1 2 339.386 3.661 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@H](C)C1 ZINC000457002682 1035632212 /nfs/dbraw/zinc/63/22/12/1035632212.db2.gz NAXPJERQKYTZDX-BXWFABGCSA-N 1 2 325.456 3.876 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cc(F)cc3cccnc32)no1 ZINC000186426506 1035632336 /nfs/dbraw/zinc/63/23/36/1035632336.db2.gz LHOHEFKXLDIMSA-UHFFFAOYSA-N 1 2 343.402 3.967 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000571733870 1035633460 /nfs/dbraw/zinc/63/34/60/1035633460.db2.gz BTQJKRRICSBILY-ZDUSSCGKSA-N 1 2 339.365 3.509 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000457003063 1035633666 /nfs/dbraw/zinc/63/36/66/1035633666.db2.gz BOLQEYBMYBTPCI-KRWDZBQOSA-N 1 2 325.456 3.830 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414130356 1035680881 /nfs/dbraw/zinc/68/08/81/1035680881.db2.gz JKRUKLXSVPMLCN-GHMZBOCLSA-N 1 2 338.249 3.603 20 0 EHADLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCSC[C@@H]3C)cs2)c1 ZINC000173783170 1035747985 /nfs/dbraw/zinc/74/79/85/1035747985.db2.gz QVECCBBWDSSAPH-LBPRGKRZSA-N 1 2 348.493 3.534 20 0 EHADLO COC(=O)c1cccc(-c2nc(C[N@H+]3CCSC[C@@H]3C)cs2)c1 ZINC000173783170 1035748004 /nfs/dbraw/zinc/74/80/04/1035748004.db2.gz QVECCBBWDSSAPH-LBPRGKRZSA-N 1 2 348.493 3.534 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492404589 1035757194 /nfs/dbraw/zinc/75/71/94/1035757194.db2.gz ZJLKBVSDSWBJKR-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492404589 1035757205 /nfs/dbraw/zinc/75/72/05/1035757205.db2.gz ZJLKBVSDSWBJKR-UHFFFAOYSA-N 1 2 344.842 3.656 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669259382 1035758891 /nfs/dbraw/zinc/75/88/91/1035758891.db2.gz QBKCFDBXCIAKRU-GUDVDZBRSA-N 1 2 339.483 3.702 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000571810653 1035761514 /nfs/dbraw/zinc/76/15/14/1035761514.db2.gz MTMOZDUJLFCLRA-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000571810653 1035761541 /nfs/dbraw/zinc/76/15/41/1035761541.db2.gz MTMOZDUJLFCLRA-FUHWJXTLSA-N 1 2 339.439 3.579 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000187101769 1035761847 /nfs/dbraw/zinc/76/18/47/1035761847.db2.gz MZOFKDQJSZVZMJ-LBPRGKRZSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000187101769 1035761865 /nfs/dbraw/zinc/76/18/65/1035761865.db2.gz MZOFKDQJSZVZMJ-LBPRGKRZSA-N 1 2 329.893 3.754 20 0 EHADLO Cc1cccc(-c2noc(C[S@](=O)Cc3ccc(C)[nH+]c3C)n2)c1 ZINC000187144750 1035767202 /nfs/dbraw/zinc/76/72/02/1035767202.db2.gz LIHXGBZQIWNRGD-XMMPIXPASA-N 1 2 341.436 3.506 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)CC3 ZINC000540913275 1035803175 /nfs/dbraw/zinc/80/31/75/1035803175.db2.gz FZBRIQUCRGZJJY-OAHLLOKOSA-N 1 2 348.450 3.589 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc(C2CCC2)c1 ZINC000571941230 1035846056 /nfs/dbraw/zinc/84/60/56/1035846056.db2.gz OYTWIJPTHOXMIZ-UHFFFAOYSA-N 1 2 338.455 3.851 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)nnn1-c1ccc(F)cc1 ZINC000414165400 1035846751 /nfs/dbraw/zinc/84/67/51/1035846751.db2.gz LVTHKSIABKCIHJ-CQSZACIVSA-N 1 2 339.418 3.577 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2CCSc3ccccc32)C2CC2)o1 ZINC000613442955 1035881656 /nfs/dbraw/zinc/88/16/56/1035881656.db2.gz GVSQPPYNCZBZSP-UHFFFAOYSA-N 1 2 342.464 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2CCSc3ccccc32)C2CC2)o1 ZINC000613442955 1035881674 /nfs/dbraw/zinc/88/16/74/1035881674.db2.gz GVSQPPYNCZBZSP-UHFFFAOYSA-N 1 2 342.464 3.691 20 0 EHADLO O=C([C@@H](c1ccccc1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535023863 1035909235 /nfs/dbraw/zinc/90/92/35/1035909235.db2.gz QCDDKDYJAQOJJK-IBGZPJMESA-N 1 2 340.492 3.586 20 0 EHADLO C[C@@]1(C(=O)NCCCCNc2cccc[nH+]2)CCc2ccccc2C1 ZINC000463859015 1035919935 /nfs/dbraw/zinc/91/99/35/1035919935.db2.gz MDAWPGHIRUMMIU-OAQYLSRUSA-N 1 2 337.467 3.585 20 0 EHADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000457289069 1035921060 /nfs/dbraw/zinc/92/10/60/1035921060.db2.gz NWZHRXRVRPNBQA-OXQOHEQNSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(OC[C@@H]2CCOC2)c1 ZINC000535064763 1035948679 /nfs/dbraw/zinc/94/86/79/1035948679.db2.gz BRZJFZZCDOIFNH-HUUCEWRRSA-N 1 2 332.469 3.718 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572056595 1035958966 /nfs/dbraw/zinc/95/89/66/1035958966.db2.gz UZGSAEFGSHAKNP-STQMWFEESA-N 1 2 331.847 3.994 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572056595 1035958979 /nfs/dbraw/zinc/95/89/79/1035958979.db2.gz UZGSAEFGSHAKNP-STQMWFEESA-N 1 2 331.847 3.994 20 0 EHADLO Cc1cc(NC(=O)NCCc2cccc(Cl)c2Cl)c(C)c[nH+]1 ZINC000535059684 1035968359 /nfs/dbraw/zinc/96/83/59/1035968359.db2.gz MWAWYUPLUULJFF-UHFFFAOYSA-N 1 2 338.238 3.791 20 0 EHADLO Cc1cccc([C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)c1 ZINC000572124145 1036008375 /nfs/dbraw/zinc/00/83/75/1036008375.db2.gz JOFZACLVTLJLBT-IUODEOHRSA-N 1 2 325.334 3.562 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c1 ZINC000541117254 1036014656 /nfs/dbraw/zinc/01/46/56/1036014656.db2.gz AHOALPBXTCDLMT-UHFFFAOYSA-N 1 2 341.386 3.714 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccn(C)n1 ZINC000414201777 1036029671 /nfs/dbraw/zinc/02/96/71/1036029671.db2.gz YSIGKCHBGVHADW-LKFCYVNXSA-N 1 2 338.224 3.660 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164289 1036051195 /nfs/dbraw/zinc/05/11/95/1036051195.db2.gz QGUXDPQQWSMOOQ-WBVHZDCISA-N 1 2 342.405 3.792 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164289 1036051217 /nfs/dbraw/zinc/05/12/17/1036051217.db2.gz QGUXDPQQWSMOOQ-WBVHZDCISA-N 1 2 342.405 3.792 20 0 EHADLO CCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163203 1036053275 /nfs/dbraw/zinc/05/32/75/1036053275.db2.gz LFNSCZAQJBJBEU-RHSMWYFYSA-N 1 2 328.378 3.546 20 0 EHADLO CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163203 1036053296 /nfs/dbraw/zinc/05/32/96/1036053296.db2.gz LFNSCZAQJBJBEU-RHSMWYFYSA-N 1 2 328.378 3.546 20 0 EHADLO CN(C)c1nn(C[NH+]2CCC(C)(c3ccccc3)CC2)c(=S)s1 ZINC000156902565 1036063185 /nfs/dbraw/zinc/06/31/85/1036063185.db2.gz YUXHKNJPMUAWBZ-UHFFFAOYSA-N 1 2 348.541 3.751 20 0 EHADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(Br)cc2F)cn1 ZINC000639919540 1036064592 /nfs/dbraw/zinc/06/45/92/1036064592.db2.gz DYXSNNIHOKGLMT-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(Br)cc2F)cn1 ZINC000639919540 1036064616 /nfs/dbraw/zinc/06/46/16/1036064616.db2.gz DYXSNNIHOKGLMT-NSHDSACASA-N 1 2 338.224 3.880 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492616877 1036085335 /nfs/dbraw/zinc/08/53/35/1036085335.db2.gz LKZLERADCJNJGH-CIGMURNLSA-N 1 2 331.419 3.741 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000666198811 1036119053 /nfs/dbraw/zinc/11/90/53/1036119053.db2.gz PEMYXRDMQVAYGT-PMOLBWCYSA-N 1 2 337.467 3.764 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000457474847 1036177369 /nfs/dbraw/zinc/17/73/69/1036177369.db2.gz DJBLGMYDZLIXCC-WDEREUQCSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000457474847 1036177376 /nfs/dbraw/zinc/17/73/76/1036177376.db2.gz DJBLGMYDZLIXCC-WDEREUQCSA-N 1 2 349.422 3.902 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000457474849 1036177512 /nfs/dbraw/zinc/17/75/12/1036177512.db2.gz DJQAPSNCXBHUML-ZDUSSCGKSA-N 1 2 339.505 3.519 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000457474849 1036177516 /nfs/dbraw/zinc/17/75/16/1036177516.db2.gz DJQAPSNCXBHUML-ZDUSSCGKSA-N 1 2 339.505 3.519 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000174973418 1036189683 /nfs/dbraw/zinc/18/96/83/1036189683.db2.gz YEXCZMSDUMGWRD-AVYPCKFXSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000174973418 1036189695 /nfs/dbraw/zinc/18/96/95/1036189695.db2.gz YEXCZMSDUMGWRD-AVYPCKFXSA-N 1 2 336.435 3.909 20 0 EHADLO Cc1cc([C@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)ccc1F ZINC000541326444 1036202612 /nfs/dbraw/zinc/20/26/12/1036202612.db2.gz DWDKNFQHRIOBBS-QGZVFWFLSA-N 1 2 337.435 3.629 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)ccc1F ZINC000541326444 1036202627 /nfs/dbraw/zinc/20/26/27/1036202627.db2.gz DWDKNFQHRIOBBS-QGZVFWFLSA-N 1 2 337.435 3.629 20 0 EHADLO CN(c1[nH+]cnc2c1cnn2C)C1c2ccccc2-c2ccccc21 ZINC000175054820 1036221177 /nfs/dbraw/zinc/22/11/77/1036221177.db2.gz FFOFQOIQOJLLHP-UHFFFAOYSA-N 1 2 327.391 3.570 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259312 1036248703 /nfs/dbraw/zinc/24/87/03/1036248703.db2.gz DJNUVASKEJEGSR-INIZCTEOSA-N 1 2 334.529 3.999 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2nccc(OC)c2OC)s1 ZINC000190598066 1036252917 /nfs/dbraw/zinc/25/29/17/1036252917.db2.gz FMCHFPJHOVMPMB-GFCCVEGCSA-N 1 2 335.473 3.619 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nccc(OC)c2OC)s1 ZINC000190598066 1036252932 /nfs/dbraw/zinc/25/29/32/1036252932.db2.gz FMCHFPJHOVMPMB-GFCCVEGCSA-N 1 2 335.473 3.619 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)c1 ZINC000535255732 1036273302 /nfs/dbraw/zinc/27/33/02/1036273302.db2.gz UXUADOIVPRMJMG-UHFFFAOYSA-N 1 2 348.378 3.754 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cccc(OC(C)(C)C)n2)c1C ZINC000639923674 1036324815 /nfs/dbraw/zinc/32/48/15/1036324815.db2.gz WIRFTHFOWGHBFL-UHFFFAOYSA-N 1 2 330.476 3.724 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(OC(C)(C)C)n2)c1C ZINC000639923674 1036324834 /nfs/dbraw/zinc/32/48/34/1036324834.db2.gz WIRFTHFOWGHBFL-UHFFFAOYSA-N 1 2 330.476 3.724 20 0 EHADLO Cc1cc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000535334879 1036333312 /nfs/dbraw/zinc/33/33/12/1036333312.db2.gz DBRZDWZPMVFLDS-MRXNPFEDSA-N 1 2 329.831 3.974 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175360391 1036349737 /nfs/dbraw/zinc/34/97/37/1036349737.db2.gz AFJPAVPGIDDRNM-DLBZAZTESA-N 1 2 342.487 3.598 20 0 EHADLO c1n[nH]c2cc(CC[NH2+][C@@H](c3ccccc3)c3ccccn3)ccc12 ZINC000671301817 1036371327 /nfs/dbraw/zinc/37/13/27/1036371327.db2.gz QAHANYSJAVFDHN-NRFANRHFSA-N 1 2 328.419 3.880 20 0 EHADLO CC[C@@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000414269489 1036378789 /nfs/dbraw/zinc/37/87/89/1036378789.db2.gz UYOBWDVWUYSELD-YGRLFVJLSA-N 1 2 330.329 3.601 20 0 EHADLO c1cn(-c2ccc(CSc3nncn3-c3ccccc3)cc2)c[nH+]1 ZINC000191485887 1036391280 /nfs/dbraw/zinc/39/12/80/1036391280.db2.gz ROGLCIIXUIREGA-UHFFFAOYSA-N 1 2 333.420 3.745 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000572647058 1036444546 /nfs/dbraw/zinc/44/45/46/1036444546.db2.gz XYKIQAJUYIRFEA-WMZPVZNXSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000572647058 1036444559 /nfs/dbraw/zinc/44/45/59/1036444559.db2.gz XYKIQAJUYIRFEA-WMZPVZNXSA-N 1 2 345.430 3.952 20 0 EHADLO C[C@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457760755 1036462569 /nfs/dbraw/zinc/46/25/69/1036462569.db2.gz ADBNUIVTRCTAHJ-OXJNMPFZSA-N 1 2 340.471 3.699 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1c(F)cccc1Cl ZINC000541587273 1036489462 /nfs/dbraw/zinc/48/94/62/1036489462.db2.gz WTFTYTFTFRBTBZ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@@H]3CCCc4c(O)cccc43)n2)c1 ZINC000192359056 1036501263 /nfs/dbraw/zinc/50/12/63/1036501263.db2.gz UEFWIMBJANAVLW-QGZVFWFLSA-N 1 2 335.407 3.918 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000679344918 1036512562 /nfs/dbraw/zinc/51/25/62/1036512562.db2.gz IJLXYJUQRWLRJQ-QWRGUYRKSA-N 1 2 338.249 3.599 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000192469966 1036513215 /nfs/dbraw/zinc/51/32/15/1036513215.db2.gz UXFAQURTDCYHIM-LLVKDONJSA-N 1 2 328.366 3.683 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000192469966 1036513223 /nfs/dbraw/zinc/51/32/23/1036513223.db2.gz UXFAQURTDCYHIM-LLVKDONJSA-N 1 2 328.366 3.683 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000376399912 1036528574 /nfs/dbraw/zinc/52/85/74/1036528574.db2.gz ZUMFSEYQTVXKTM-HNNXBMFYSA-N 1 2 337.423 3.919 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSCc1ccccc1)[C@@H]2C ZINC000192806674 1036555167 /nfs/dbraw/zinc/55/51/67/1036555167.db2.gz HYWXUAPWJMSFEK-OAHLLOKOSA-N 1 2 330.501 3.712 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSCc1ccccc1)[C@@H]2C ZINC000192806674 1036555179 /nfs/dbraw/zinc/55/51/79/1036555179.db2.gz HYWXUAPWJMSFEK-OAHLLOKOSA-N 1 2 330.501 3.712 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000376406322 1036560795 /nfs/dbraw/zinc/56/07/95/1036560795.db2.gz CYJZLJXWOHMMOH-VQSBYGRUSA-N 1 2 330.472 3.815 20 0 EHADLO C[C@H]([NH2+]Cc1noc(Cc2ccccc2)n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541683847 1036571965 /nfs/dbraw/zinc/57/19/65/1036571965.db2.gz BKSRPSQKCODFEQ-VFCRVFHLSA-N 1 2 349.434 3.703 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1SC ZINC000457904395 1036602583 /nfs/dbraw/zinc/60/25/83/1036602583.db2.gz RPOABWBHYSNCPF-INIZCTEOSA-N 1 2 342.464 3.630 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1SC ZINC000457904395 1036602594 /nfs/dbraw/zinc/60/25/94/1036602594.db2.gz RPOABWBHYSNCPF-INIZCTEOSA-N 1 2 342.464 3.630 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000464676166 1036651320 /nfs/dbraw/zinc/65/13/20/1036651320.db2.gz FVCNBCHJARXFQC-FXAWDEMLSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000464676166 1036651338 /nfs/dbraw/zinc/65/13/38/1036651338.db2.gz FVCNBCHJARXFQC-FXAWDEMLSA-N 1 2 343.492 3.852 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC000589855612 1036654606 /nfs/dbraw/zinc/65/46/06/1036654606.db2.gz XOKSLYRQTDCNLA-GOSISDBHSA-N 1 2 346.515 3.720 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186224660 1036655744 /nfs/dbraw/zinc/65/57/44/1036655744.db2.gz BKZLKYJIWPEYPD-UHFFFAOYSA-N 1 2 347.418 3.793 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186224660 1036655750 /nfs/dbraw/zinc/65/57/50/1036655750.db2.gz BKZLKYJIWPEYPD-UHFFFAOYSA-N 1 2 347.418 3.793 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc2cc(Br)ccc2o1 ZINC000782790489 1036682335 /nfs/dbraw/zinc/68/23/35/1036682335.db2.gz CIDAPSAUFJQJII-UHFFFAOYSA-N 1 2 349.184 3.639 20 0 EHADLO Cc1cc2c(Cc3nc(Cc4c[nH+]cn4C)no3)csc2s1 ZINC000866954480 1036723722 /nfs/dbraw/zinc/72/37/22/1036723722.db2.gz HCILTUYXHPGPLQ-UHFFFAOYSA-N 1 2 330.438 3.569 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@H]2Nc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000669823587 1036750427 /nfs/dbraw/zinc/75/04/27/1036750427.db2.gz IKQWRXBFVVIPQO-QZTJIDSGSA-N 1 2 334.423 3.853 20 0 EHADLO FC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCCCC1 ZINC000685913405 1036751319 /nfs/dbraw/zinc/75/13/19/1036751319.db2.gz PVXXLRKCQXUBEO-UHFFFAOYSA-N 1 2 345.418 3.698 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590100778 1036752910 /nfs/dbraw/zinc/75/29/10/1036752910.db2.gz MPIQWFJMXFULHS-MSOLQXFVSA-N 1 2 344.503 3.840 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000102687552 1036772459 /nfs/dbraw/zinc/77/24/59/1036772459.db2.gz JBEJCVTUUADTBA-LBPRGKRZSA-N 1 2 347.344 3.532 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)n1 ZINC000464782063 1036774771 /nfs/dbraw/zinc/77/47/71/1036774771.db2.gz XOEOQRDJCRJXHZ-LBPRGKRZSA-N 1 2 336.892 3.637 20 0 EHADLO CCC[N@H+](Cc1cn2ccccc2n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000102844105 1036776403 /nfs/dbraw/zinc/77/64/03/1036776403.db2.gz OHKZQISGTOTNHA-INIZCTEOSA-N 1 2 336.439 3.574 20 0 EHADLO CCC[N@@H+](Cc1cn2ccccc2n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000102844105 1036776419 /nfs/dbraw/zinc/77/64/19/1036776419.db2.gz OHKZQISGTOTNHA-INIZCTEOSA-N 1 2 336.439 3.574 20 0 EHADLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1F ZINC000103242754 1036858587 /nfs/dbraw/zinc/85/85/87/1036858587.db2.gz VBBNKIFZPRPHNP-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO C[C@]1(C[NH2+]Cc2cccc(C(=O)[O-])c2)CCC[N@@H+]1Cc1ccccc1 ZINC000263413660 1036881333 /nfs/dbraw/zinc/88/13/33/1036881333.db2.gz MIEQRKKWEMYXJA-OAQYLSRUSA-N 1 2 338.451 3.529 20 0 EHADLO C[C@]1(C[NH2+]Cc2cccc(C(=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000263413660 1036881361 /nfs/dbraw/zinc/88/13/61/1036881361.db2.gz MIEQRKKWEMYXJA-OAQYLSRUSA-N 1 2 338.451 3.529 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](c2ncccc2C)C(C)C)c(N(C)C)[nH+]1 ZINC000162409340 1036891031 /nfs/dbraw/zinc/89/10/31/1036891031.db2.gz QZLCPHIPGRBRFX-MRXNPFEDSA-N 1 2 341.459 3.678 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccco2)C1 ZINC000464847902 1036896020 /nfs/dbraw/zinc/89/60/20/1036896020.db2.gz HRLSZTGQTFKFGJ-WBMJQRKESA-N 1 2 334.366 3.970 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccco2)C1 ZINC000464847902 1036896031 /nfs/dbraw/zinc/89/60/31/1036896031.db2.gz HRLSZTGQTFKFGJ-WBMJQRKESA-N 1 2 334.366 3.970 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)s1 ZINC000103494303 1036931387 /nfs/dbraw/zinc/93/13/87/1036931387.db2.gz UPTKLPPNICMENK-LBPRGKRZSA-N 1 2 337.439 3.609 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000541981358 1036941715 /nfs/dbraw/zinc/94/17/15/1036941715.db2.gz UXCGHJRZPDSINZ-INIZCTEOSA-N 1 2 328.437 3.843 20 0 EHADLO Cc1cc(N2C[C@@H]3COC[C@@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000685918377 1036950927 /nfs/dbraw/zinc/95/09/27/1036950927.db2.gz CJEFGJIRGFHMNG-TXEJJXNPSA-N 1 2 338.329 3.524 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728646 1037007424 /nfs/dbraw/zinc/00/74/24/1037007424.db2.gz AQXRVWZVJPVXII-GOSISDBHSA-N 1 2 341.455 3.557 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccnc(Oc3cccc(C)c3C)c2)nn1C ZINC000414363916 1037011037 /nfs/dbraw/zinc/01/10/37/1037011037.db2.gz ZALMYMBRAKPTJD-UHFFFAOYSA-N 1 2 336.439 3.822 20 0 EHADLO C[NH+](C)C[C@H](NCc1[nH]nc2ccccc21)c1ccc(Cl)cc1 ZINC000669999590 1037030816 /nfs/dbraw/zinc/03/08/16/1037030816.db2.gz YDXMWHCRCZMSHU-SFHVURJKSA-N 1 2 328.847 3.609 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590731785 1037035021 /nfs/dbraw/zinc/03/50/21/1037035021.db2.gz YNTGYMQTHYYTQT-QGZVFWFLSA-N 1 2 343.496 3.962 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590732662 1037035471 /nfs/dbraw/zinc/03/54/71/1037035471.db2.gz SVMLDTZAEKXDPH-OAHLLOKOSA-N 1 2 347.846 3.558 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590733571 1037035992 /nfs/dbraw/zinc/03/59/92/1037035992.db2.gz QTDQBTZFPONFIY-GFCCVEGCSA-N 1 2 335.860 3.736 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176334327 1037045753 /nfs/dbraw/zinc/04/57/53/1037045753.db2.gz AHVYWTUAFMZHQZ-AWEZNQCLSA-N 1 2 339.226 3.886 20 0 EHADLO CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2c(C)cccn12 ZINC000539670080 1037060660 /nfs/dbraw/zinc/06/06/60/1037060660.db2.gz CLQMKOVSJYIUBQ-OAHLLOKOSA-N 1 2 331.460 3.585 20 0 EHADLO CCCn1nccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456287 1037071232 /nfs/dbraw/zinc/07/12/32/1037071232.db2.gz FNLXRQGMYBLYQZ-UHFFFAOYSA-N 1 2 349.438 3.745 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccn3C)n2)ccc1F ZINC000178679299 1037075031 /nfs/dbraw/zinc/07/50/31/1037075031.db2.gz BDOUPPSOKOTBLN-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccn3C)n2)ccc1F ZINC000178679299 1037075046 /nfs/dbraw/zinc/07/50/46/1037075046.db2.gz BDOUPPSOKOTBLN-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000590846917 1037082280 /nfs/dbraw/zinc/08/22/80/1037082280.db2.gz VWEPQDICWLYZDE-ZBFHGGJFSA-N 1 2 338.411 3.737 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000590848424 1037082667 /nfs/dbraw/zinc/08/26/67/1037082667.db2.gz LLHHIASEHWMWHT-OALUTQOASA-N 1 2 338.455 3.689 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2n1C ZINC000038192607 1037089317 /nfs/dbraw/zinc/08/93/17/1037089317.db2.gz WVLMEXKPDOOWDU-UHFFFAOYSA-N 1 2 349.843 3.644 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000590853768 1037101418 /nfs/dbraw/zinc/10/14/18/1037101418.db2.gz AFBDANOZOOFPPY-HIFRSBDPSA-N 1 2 332.473 3.669 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590861246 1037102464 /nfs/dbraw/zinc/10/24/64/1037102464.db2.gz XMYFMDABZRNHRW-GOSISDBHSA-N 1 2 326.444 3.553 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000542143197 1037102720 /nfs/dbraw/zinc/10/27/20/1037102720.db2.gz PGEREJVTCBPJEW-APWZRJJASA-N 1 2 348.450 3.812 20 0 EHADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892645920 1037117218 /nfs/dbraw/zinc/11/72/18/1037117218.db2.gz QOGLNKLSQNOKOW-CYBMUJFWSA-N 1 2 346.500 3.936 20 0 EHADLO Cc1nc(C(C)C)sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000351017731 1037123701 /nfs/dbraw/zinc/12/37/01/1037123701.db2.gz AHJRLXSCFQTEOU-QWHCGFSZSA-N 1 2 348.472 3.551 20 0 EHADLO Cc1nc(C(C)C)sc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000351017731 1037123708 /nfs/dbraw/zinc/12/37/08/1037123708.db2.gz AHJRLXSCFQTEOU-QWHCGFSZSA-N 1 2 348.472 3.551 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000007682665 1037127625 /nfs/dbraw/zinc/12/76/25/1037127625.db2.gz JYPWRQALIFPHHD-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000007682665 1037127635 /nfs/dbraw/zinc/12/76/35/1037127635.db2.gz JYPWRQALIFPHHD-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@@H]4CC45CCSCC5)n3)c2)c[nH+]1 ZINC000351117266 1037143824 /nfs/dbraw/zinc/14/38/24/1037143824.db2.gz PCZHULDJRKYLNH-HNNXBMFYSA-N 1 2 338.436 3.923 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000105062706 1037145635 /nfs/dbraw/zinc/14/56/35/1037145635.db2.gz LIEZNUKYRUXLDX-KRWDZBQOSA-N 1 2 346.862 3.767 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)on1 ZINC000105455222 1037188529 /nfs/dbraw/zinc/18/85/29/1037188529.db2.gz HMQBGZNZUPYFON-UHFFFAOYSA-N 1 2 336.439 3.811 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccco1 ZINC000008197280 1037193397 /nfs/dbraw/zinc/19/33/97/1037193397.db2.gz NDVJZZQWJIIXPP-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccco1 ZINC000008197280 1037193403 /nfs/dbraw/zinc/19/34/03/1037193403.db2.gz NDVJZZQWJIIXPP-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO CCSCc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000368464179 1037204187 /nfs/dbraw/zinc/20/41/87/1037204187.db2.gz CIGHEGNWQDFLBN-UHFFFAOYSA-N 1 2 343.496 3.745 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccccc1)C1CCC1 ZINC000591027668 1037206876 /nfs/dbraw/zinc/20/68/76/1037206876.db2.gz XZCQZBDNAQYCAW-GOSISDBHSA-N 1 2 326.444 3.504 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187114411 1037220460 /nfs/dbraw/zinc/22/04/60/1037220460.db2.gz LZLDVRFJFCPRIL-IEBWSBKVSA-N 1 2 348.450 3.545 20 0 EHADLO Cc1cccc(CN(CC(C)C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000539810477 1037224411 /nfs/dbraw/zinc/22/44/11/1037224411.db2.gz LEIPINFIIPWFPQ-UHFFFAOYSA-N 1 2 348.450 3.874 20 0 EHADLO C[N@H+](Cc1ccc(Cl)o1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539829532 1037255495 /nfs/dbraw/zinc/25/54/95/1037255495.db2.gz PCXOEGCNOGEIHS-AWEZNQCLSA-N 1 2 339.222 3.824 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)o1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539829532 1037255497 /nfs/dbraw/zinc/25/54/97/1037255497.db2.gz PCXOEGCNOGEIHS-AWEZNQCLSA-N 1 2 339.222 3.824 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3sccc3Cl)CC2)c1 ZINC000505187132 1037275470 /nfs/dbraw/zinc/27/54/70/1037275470.db2.gz GNOHTGPYJYCNRX-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC ZINC000045736109 1037290361 /nfs/dbraw/zinc/29/03/61/1037290361.db2.gz ZZJVLBLRCDLIJW-IBGZPJMESA-N 1 2 349.434 3.821 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136202 1037292105 /nfs/dbraw/zinc/29/21/05/1037292105.db2.gz REHRTCXGQCWXEW-SJLPKXTDSA-N 1 2 339.483 3.803 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136202 1037292117 /nfs/dbraw/zinc/29/21/17/1037292117.db2.gz REHRTCXGQCWXEW-SJLPKXTDSA-N 1 2 339.483 3.803 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)nn1 ZINC000669930907 1037297142 /nfs/dbraw/zinc/29/71/42/1037297142.db2.gz GVDPMPXQYZXLTK-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)nn1 ZINC000669930907 1037297161 /nfs/dbraw/zinc/29/71/61/1037297161.db2.gz GVDPMPXQYZXLTK-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO O=C(CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000204702789 1037308748 /nfs/dbraw/zinc/30/87/48/1037308748.db2.gz MKZSQGOSZAKHQD-UHFFFAOYSA-N 1 2 340.442 3.606 20 0 EHADLO Cc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)ncc1Br ZINC000623554541 1037316268 /nfs/dbraw/zinc/31/62/68/1037316268.db2.gz CYORWQHOELJNGQ-HOTGVXAUSA-N 1 2 335.220 3.879 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395574 1037317180 /nfs/dbraw/zinc/31/71/80/1037317180.db2.gz KHLYUJMDNMPBPT-HUUCEWRRSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414395574 1037317198 /nfs/dbraw/zinc/31/71/98/1037317198.db2.gz KHLYUJMDNMPBPT-HUUCEWRRSA-N 1 2 349.521 3.838 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000493429037 1037357600 /nfs/dbraw/zinc/35/76/00/1037357600.db2.gz HJNSJHVLBWGCBM-FPLPWBNLSA-N 1 2 331.366 3.673 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000573169376 1037363609 /nfs/dbraw/zinc/36/36/09/1037363609.db2.gz BZJHQVOGZRCJLA-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000573169376 1037363627 /nfs/dbraw/zinc/36/36/27/1037363627.db2.gz BZJHQVOGZRCJLA-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000088484276 1037375132 /nfs/dbraw/zinc/37/51/32/1037375132.db2.gz HWCRABZGJTXDQE-UHFFFAOYSA-N 1 2 341.379 3.768 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000088484276 1037375154 /nfs/dbraw/zinc/37/51/54/1037375154.db2.gz HWCRABZGJTXDQE-UHFFFAOYSA-N 1 2 341.379 3.768 20 0 EHADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000493451897 1037389397 /nfs/dbraw/zinc/38/93/97/1037389397.db2.gz NKXVGTXGDWREJV-LASXONHFSA-N 1 2 337.345 3.750 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CCCCNc1nc(-c2ccccc2)ns1 ZINC000462791026 1037401282 /nfs/dbraw/zinc/40/12/82/1037401282.db2.gz QDNZKCWBWQACAL-HNNXBMFYSA-N 1 2 330.501 3.694 20 0 EHADLO C[C@H]1CCCC[N@H+]1CCCCNc1nc(-c2ccccc2)ns1 ZINC000462791026 1037401293 /nfs/dbraw/zinc/40/12/93/1037401293.db2.gz QDNZKCWBWQACAL-HNNXBMFYSA-N 1 2 330.501 3.694 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000177189199 1037411463 /nfs/dbraw/zinc/41/14/63/1037411463.db2.gz FZNPRNUCQAEVTH-IRXDYDNUSA-N 1 2 343.496 3.715 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000177189199 1037411471 /nfs/dbraw/zinc/41/14/71/1037411471.db2.gz FZNPRNUCQAEVTH-IRXDYDNUSA-N 1 2 343.496 3.715 20 0 EHADLO O=C(C[NH2+][C@@H](CF)c1ccc(F)cc1)N1CCSc2ccccc21 ZINC000640151936 1037429450 /nfs/dbraw/zinc/42/94/50/1037429450.db2.gz AJPXWPLSVIKQKK-HNNXBMFYSA-N 1 2 348.418 3.565 20 0 EHADLO O=C(N[C@H]1CC12CCCCC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000539992487 1037429790 /nfs/dbraw/zinc/42/97/90/1037429790.db2.gz GQBXYMZFUOOIIL-ZWKOTPCHSA-N 1 2 344.524 3.616 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000591504934 1037451231 /nfs/dbraw/zinc/45/12/31/1037451231.db2.gz RJMOAEKEBXJYEE-IAGOWNOFSA-N 1 2 347.503 3.506 20 0 EHADLO Cc1cc(C)cc(/C=C\C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000493545795 1037465332 /nfs/dbraw/zinc/46/53/32/1037465332.db2.gz CXRROFUUGVGMEV-XQRVVYSFSA-N 1 2 332.407 3.595 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000491419917 1037465594 /nfs/dbraw/zinc/46/55/94/1037465594.db2.gz AAAXWIHXYKIAKE-PXAZEXFGSA-N 1 2 334.822 3.683 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000491463227 1037489698 /nfs/dbraw/zinc/48/96/98/1037489698.db2.gz JGNWNWDNLUISEA-XHPSBEMXSA-N 1 2 329.831 3.791 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151747815 1037493454 /nfs/dbraw/zinc/49/34/54/1037493454.db2.gz RUJIQTUFXFKPSW-OAHLLOKOSA-N 1 2 339.483 3.795 20 0 EHADLO CC(C)(O)c1cccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000493628698 1037503720 /nfs/dbraw/zinc/50/37/20/1037503720.db2.gz XHOPGTKRANIEJG-DHZHZOJOSA-N 1 2 347.418 3.752 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000007648045 1037520857 /nfs/dbraw/zinc/52/08/57/1037520857.db2.gz UUDKXLQWVIDSOA-HRAATJIYSA-N 1 2 346.430 3.936 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591597222 1037521170 /nfs/dbraw/zinc/52/11/70/1037521170.db2.gz JMZUCOVHHOHZCX-OALUTQOASA-N 1 2 338.455 3.771 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2cc(F)cc3F)s1 ZINC000591660649 1037537601 /nfs/dbraw/zinc/53/76/01/1037537601.db2.gz RTEOGQFPESDKDG-AMIZOPFISA-N 1 2 338.379 3.546 20 0 EHADLO O=C(/C=C\c1ccsc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000493654806 1037538097 /nfs/dbraw/zinc/53/80/97/1037538097.db2.gz PTEICRIBVGKOHX-VJYZAXEGSA-N 1 2 327.453 3.696 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc[nH]1 ZINC000760863925 1037538257 /nfs/dbraw/zinc/53/82/57/1037538257.db2.gz COLNDIJDZKKXIC-ZOCIIQOWSA-N 1 2 349.438 3.500 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000493695967 1037551312 /nfs/dbraw/zinc/55/13/12/1037551312.db2.gz TXEGIGKPEZRKDB-AATRIKPKSA-N 1 2 335.329 3.637 20 0 EHADLO Cc1cccnc1C[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000591689233 1037554578 /nfs/dbraw/zinc/55/45/78/1037554578.db2.gz KZDXEDQVPMSDPT-FQEVSTJZSA-N 1 2 349.409 3.999 20 0 EHADLO O=C(Nc1ccccc1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000105347138 1037602707 /nfs/dbraw/zinc/60/27/07/1037602707.db2.gz DKWJQDNYNSWCRF-UHFFFAOYSA-N 1 2 349.232 3.515 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204896 1037606902 /nfs/dbraw/zinc/60/69/02/1037606902.db2.gz ZAEKTBQEGXERMI-UHFFFAOYSA-N 1 2 348.472 3.822 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058204896 1037606910 /nfs/dbraw/zinc/60/69/10/1037606910.db2.gz ZAEKTBQEGXERMI-UHFFFAOYSA-N 1 2 348.472 3.822 20 0 EHADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccnn1C1CCCC1 ZINC000027108711 1037625154 /nfs/dbraw/zinc/62/51/54/1037625154.db2.gz BYFLTMIOSYLUEQ-UHFFFAOYSA-N 1 2 344.484 3.663 20 0 EHADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccnn1C1CCCC1 ZINC000027108711 1037625169 /nfs/dbraw/zinc/62/51/69/1037625169.db2.gz BYFLTMIOSYLUEQ-UHFFFAOYSA-N 1 2 344.484 3.663 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1ccsc1 ZINC000669861086 1037645582 /nfs/dbraw/zinc/64/55/82/1037645582.db2.gz YWIOQMIPIQGGHH-VIFPVBQESA-N 1 2 335.379 3.562 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812929 1037655907 /nfs/dbraw/zinc/65/59/07/1037655907.db2.gz CRQLZBKMFUSEKI-GOEBONIOSA-N 1 2 329.444 3.892 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812929 1037655920 /nfs/dbraw/zinc/65/59/20/1037655920.db2.gz CRQLZBKMFUSEKI-GOEBONIOSA-N 1 2 329.444 3.892 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378041954 1037739329 /nfs/dbraw/zinc/73/93/29/1037739329.db2.gz GWVFQAXSRMHIMB-QGZVFWFLSA-N 1 2 326.444 3.840 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378041954 1037739345 /nfs/dbraw/zinc/73/93/45/1037739345.db2.gz GWVFQAXSRMHIMB-QGZVFWFLSA-N 1 2 326.444 3.840 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](F)C1)Cc1ccccc1Cl ZINC000573686773 1037743812 /nfs/dbraw/zinc/74/38/12/1037743812.db2.gz UDNXLRMUORKRPU-LSDHHAIUSA-N 1 2 326.843 3.559 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](F)C1)Cc1ccccc1Cl ZINC000573686773 1037743826 /nfs/dbraw/zinc/74/38/26/1037743826.db2.gz UDNXLRMUORKRPU-LSDHHAIUSA-N 1 2 326.843 3.559 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000491934575 1037775127 /nfs/dbraw/zinc/77/51/27/1037775127.db2.gz WJSDPGDTSQYMBJ-PLNGDYQASA-N 1 2 344.484 3.583 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000592157861 1037844787 /nfs/dbraw/zinc/84/47/87/1037844787.db2.gz PGOAKYAIJNQSFT-UHFFFAOYSA-N 1 2 346.427 3.878 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+]3CC[C@@](F)(c4ccccc4)C3)cs2)cn1 ZINC000669942758 1037850228 /nfs/dbraw/zinc/85/02/28/1037850228.db2.gz VFEMGUQVECYXBI-SFHVURJKSA-N 1 2 342.443 3.614 20 0 EHADLO Cn1cc(-c2nc(C[N@H+]3CC[C@@](F)(c4ccccc4)C3)cs2)cn1 ZINC000669942758 1037850246 /nfs/dbraw/zinc/85/02/46/1037850246.db2.gz VFEMGUQVECYXBI-SFHVURJKSA-N 1 2 342.443 3.614 20 0 EHADLO CCCn1c(C)cc(-c2csc(NC(=O)Cc3c[nH]c[nH+]3)n2)c1C ZINC000913788046 1037852633 /nfs/dbraw/zinc/85/26/33/1037852633.db2.gz RGIQUHIXJWXAIE-UHFFFAOYSA-N 1 2 343.456 3.543 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000463188861 1037857936 /nfs/dbraw/zinc/85/79/36/1037857936.db2.gz FCWGFAUIBYKMKY-LLVKDONJSA-N 1 2 347.311 3.638 20 0 EHADLO CSc1cc(F)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000646553170 1037859938 /nfs/dbraw/zinc/85/99/38/1037859938.db2.gz PCUCNYNOMLRUKD-UHFFFAOYSA-N 1 2 334.420 3.613 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000119516537 1037906577 /nfs/dbraw/zinc/90/65/77/1037906577.db2.gz QERZBUNDUPDPBC-SJKOYZFVSA-N 1 2 347.409 3.627 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)n1 ZINC000494195850 1037906963 /nfs/dbraw/zinc/90/69/63/1037906963.db2.gz SAROSTKBPHJXKE-UHFFFAOYSA-N 1 2 326.469 3.880 20 0 EHADLO CCCOc1cccc2c(NCCc3cccc(C(N)=O)c3)cc[nH+]c12 ZINC000492070537 1037937107 /nfs/dbraw/zinc/93/71/07/1037937107.db2.gz SDQVUPJVDJUNCN-UHFFFAOYSA-N 1 2 349.434 3.777 20 0 EHADLO CC[C@H](N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000592399344 1037941472 /nfs/dbraw/zinc/94/14/72/1037941472.db2.gz HGBGCPGQDUVQNL-PBHICJAKSA-N 1 2 329.444 3.643 20 0 EHADLO O=C(C=Cc1cccc2ccccc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492071832 1037948659 /nfs/dbraw/zinc/94/86/59/1037948659.db2.gz YRKUVPPHAZJUJG-HJWRWDBZSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(C=Cc1cccc2ccccc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492071832 1037948663 /nfs/dbraw/zinc/94/86/63/1037948663.db2.gz YRKUVPPHAZJUJG-HJWRWDBZSA-N 1 2 331.419 3.982 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccccc2F)c1C ZINC000058466626 1037949338 /nfs/dbraw/zinc/94/93/38/1037949338.db2.gz AVGKPBSFAKGCCU-UHFFFAOYSA-N 1 2 333.432 3.675 20 0 EHADLO CC(C)Oc1cccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000492102886 1037977347 /nfs/dbraw/zinc/97/73/47/1037977347.db2.gz JQQVYLOUUMEZQD-SREVYHEPSA-N 1 2 339.439 3.616 20 0 EHADLO CC(C)Oc1cccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000492102886 1037977358 /nfs/dbraw/zinc/97/73/58/1037977358.db2.gz JQQVYLOUUMEZQD-SREVYHEPSA-N 1 2 339.439 3.616 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@@H](c3cnn(C)c3)C(C)(C)C)n2)cc1 ZINC000540477220 1037986090 /nfs/dbraw/zinc/98/60/90/1037986090.db2.gz QARSBKLZAHSAAS-KRWDZBQOSA-N 1 2 339.443 3.656 20 0 EHADLO COc1ccc([C@@H](C)OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000760975947 1038017123 /nfs/dbraw/zinc/01/71/23/1038017123.db2.gz YMTFGFOPGXUFJG-HZPDHXFCSA-N 1 2 339.435 3.746 20 0 EHADLO COc1ccc([C@@H](C)OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000760975947 1038017143 /nfs/dbraw/zinc/01/71/43/1038017143.db2.gz YMTFGFOPGXUFJG-HZPDHXFCSA-N 1 2 339.435 3.746 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463346713 1038052184 /nfs/dbraw/zinc/05/21/84/1038052184.db2.gz WKXVYXAYIFECQH-UHFFFAOYSA-N 1 2 328.456 3.969 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463346713 1038052203 /nfs/dbraw/zinc/05/22/03/1038052203.db2.gz WKXVYXAYIFECQH-UHFFFAOYSA-N 1 2 328.456 3.969 20 0 EHADLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463348283 1038055057 /nfs/dbraw/zinc/05/50/57/1038055057.db2.gz JWAXJCXDEQOMMV-UHFFFAOYSA-N 1 2 328.456 3.826 20 0 EHADLO CCOC(=O)CC(C)(C)CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463348283 1038055072 /nfs/dbraw/zinc/05/50/72/1038055072.db2.gz JWAXJCXDEQOMMV-UHFFFAOYSA-N 1 2 328.456 3.826 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(c1ccccc1)c1ccccc1 ZINC000492192689 1038106670 /nfs/dbraw/zinc/10/66/70/1038106670.db2.gz IPRKEIXFNRGULU-INIZCTEOSA-N 1 2 332.407 3.746 20 0 EHADLO Cc1cccc(Nc2nnc(SCCCn3cc[nH+]c3)s2)c1 ZINC000180429296 1038170991 /nfs/dbraw/zinc/17/09/91/1038170991.db2.gz YXTBELQJRCOKCU-UHFFFAOYSA-N 1 2 331.470 3.969 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ncccc1F ZINC000893181059 1038279539 /nfs/dbraw/zinc/27/95/39/1038279539.db2.gz BDTZDWLUQGWGTM-UHFFFAOYSA-N 1 2 337.420 3.919 20 0 EHADLO Cc1cccc(C)c1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043357940 1038309314 /nfs/dbraw/zinc/30/93/14/1038309314.db2.gz DTIGKUQQCZKDOO-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO CCc1ccc(Cl)c(CC)c1NC(=O)NCCCn1cc[nH+]c1 ZINC000043389277 1038311612 /nfs/dbraw/zinc/31/16/12/1038311612.db2.gz OFNFLWUSYKGGTE-UHFFFAOYSA-N 1 2 334.851 3.873 20 0 EHADLO CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000454213048 1038316081 /nfs/dbraw/zinc/31/60/81/1038316081.db2.gz FUPSQMWMGLQJPJ-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO Cc1c2cccc(Cl)c2sc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000552021927 1038356625 /nfs/dbraw/zinc/35/66/25/1038356625.db2.gz SFFYPSPSLWBHNV-UHFFFAOYSA-N 1 2 348.899 3.917 20 0 EHADLO Cc1cc(NCCc2nnc(-c3ccccc3)n2C)nc(C2CCC2)[nH+]1 ZINC000893192614 1038380304 /nfs/dbraw/zinc/38/03/04/1038380304.db2.gz YPPIOIBAVWDQGV-UHFFFAOYSA-N 1 2 348.454 3.503 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc(-c2ccccn2)s1 ZINC000538608545 1038433364 /nfs/dbraw/zinc/43/33/64/1038433364.db2.gz VADWRKXGCBGPAK-UHFFFAOYSA-N 1 2 349.463 3.999 20 0 EHADLO COC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000667119319 1038457332 /nfs/dbraw/zinc/45/73/32/1038457332.db2.gz PHUSHMYVUBEKMO-KRWDZBQOSA-N 1 2 343.427 3.525 20 0 EHADLO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000538720155 1038489294 /nfs/dbraw/zinc/48/92/94/1038489294.db2.gz JLDZWIRAHJXYHA-CQSZACIVSA-N 1 2 333.863 3.835 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)c(OC)c1OC ZINC000538726981 1038494628 /nfs/dbraw/zinc/49/46/28/1038494628.db2.gz LIFNGFQJZRIIOY-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)c(OC)c1OC ZINC000538726981 1038494633 /nfs/dbraw/zinc/49/46/33/1038494633.db2.gz LIFNGFQJZRIIOY-ZDUSSCGKSA-N 1 2 345.414 3.971 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)s1 ZINC000538730398 1038497715 /nfs/dbraw/zinc/49/77/15/1038497715.db2.gz IEPQJBZXUAAYRN-IBGZPJMESA-N 1 2 345.512 3.737 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)s1 ZINC000538730398 1038497717 /nfs/dbraw/zinc/49/77/17/1038497717.db2.gz IEPQJBZXUAAYRN-IBGZPJMESA-N 1 2 345.512 3.737 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000538737262 1038500823 /nfs/dbraw/zinc/50/08/23/1038500823.db2.gz RYFARPRPCBLCQS-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000538737262 1038500826 /nfs/dbraw/zinc/50/08/26/1038500826.db2.gz RYFARPRPCBLCQS-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccccc2)o1 ZINC000538739977 1038504126 /nfs/dbraw/zinc/50/41/26/1038504126.db2.gz YSZKAQZNIUGRFH-UHFFFAOYSA-N 1 2 340.448 3.756 20 0 EHADLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccccc2)o1 ZINC000538739977 1038504138 /nfs/dbraw/zinc/50/41/38/1038504138.db2.gz YSZKAQZNIUGRFH-UHFFFAOYSA-N 1 2 340.448 3.756 20 0 EHADLO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000538739972 1038504492 /nfs/dbraw/zinc/50/44/92/1038504492.db2.gz YEYHSBNATFXZLC-HXUWFJFHSA-N 1 2 348.450 3.824 20 0 EHADLO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000538739972 1038504497 /nfs/dbraw/zinc/50/44/97/1038504497.db2.gz YEYHSBNATFXZLC-HXUWFJFHSA-N 1 2 348.450 3.824 20 0 EHADLO CC(C)[C@H](C)N(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000667135002 1038511139 /nfs/dbraw/zinc/51/11/39/1038511139.db2.gz OGWQCAKEBDIDNX-MAUKXSAKSA-N 1 2 325.456 3.967 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000181990921 1038521024 /nfs/dbraw/zinc/52/10/24/1038521024.db2.gz JYGLISJJGLJMQY-ZDUSSCGKSA-N 1 2 344.358 3.508 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000430075683 1038536604 /nfs/dbraw/zinc/53/66/04/1038536604.db2.gz HVWQULVAXDYRPB-UHFFFAOYSA-N 1 2 331.419 3.976 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000430075683 1038536615 /nfs/dbraw/zinc/53/66/15/1038536615.db2.gz HVWQULVAXDYRPB-UHFFFAOYSA-N 1 2 331.419 3.976 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000538944591 1038608319 /nfs/dbraw/zinc/60/83/19/1038608319.db2.gz BJJIUXUNRIXDNC-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000538944591 1038608327 /nfs/dbraw/zinc/60/83/27/1038608327.db2.gz BJJIUXUNRIXDNC-UHFFFAOYSA-N 1 2 340.492 3.770 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(Cc4cccnc4)CC3)ccc2[nH+]1 ZINC000538947475 1038609191 /nfs/dbraw/zinc/60/91/91/1038609191.db2.gz DFFATPOMIPJGMA-UHFFFAOYSA-N 1 2 349.438 3.524 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000378434284 1038614151 /nfs/dbraw/zinc/61/41/51/1038614151.db2.gz KHZPOCUGGRGFTI-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H]2CC2(C)C)c(C)c1 ZINC000584565709 1038626011 /nfs/dbraw/zinc/62/60/11/1038626011.db2.gz PIPZTCHYULXTDO-QZTJIDSGSA-N 1 2 340.471 3.681 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)co1 ZINC000660002134 1038675917 /nfs/dbraw/zinc/67/59/17/1038675917.db2.gz JYDKURDTUDKEQW-ZDUSSCGKSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)co1 ZINC000660002134 1038675922 /nfs/dbraw/zinc/67/59/22/1038675922.db2.gz JYDKURDTUDKEQW-ZDUSSCGKSA-N 1 2 327.211 3.943 20 0 EHADLO CCn1c2ccccc2nc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339181633 1038731296 /nfs/dbraw/zinc/73/12/96/1038731296.db2.gz FZGAPXDRPKJPPP-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnc2c(F)cccc2c1 ZINC000431888665 1038808653 /nfs/dbraw/zinc/80/86/53/1038808653.db2.gz XYGXEBCRKUQGSE-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905382088 1038839356 /nfs/dbraw/zinc/83/93/56/1038839356.db2.gz QDKZJCWMVDVZQG-IEBWSBKVSA-N 1 2 349.421 3.551 20 0 EHADLO Cc1c2ccccc2[nH+]c(NCCCCC[NH+]2CCCC2)c1C(=O)[O-] ZINC000910365997 1038864253 /nfs/dbraw/zinc/86/42/53/1038864253.db2.gz YTOJOODJCYOBQQ-UHFFFAOYSA-N 1 2 341.455 3.919 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000910349084 1038875006 /nfs/dbraw/zinc/87/50/06/1038875006.db2.gz YCHAUFBSQVFYHA-SJORKVTESA-N 1 2 334.423 3.594 20 0 EHADLO c1c(CNc2[nH+]c3ccccc3n2CC2CC2)[nH]nc1-c1cccnc1 ZINC000905430471 1038896236 /nfs/dbraw/zinc/89/62/36/1038896236.db2.gz WJTYUWAQILIQID-UHFFFAOYSA-N 1 2 344.422 3.844 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000416681771 1038896807 /nfs/dbraw/zinc/89/68/07/1038896807.db2.gz KJGJFUBUCLPSHB-QZTJIDSGSA-N 1 2 340.471 3.555 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC3(CC2)OCc2ccccc23)cs1 ZINC000363915226 1038914637 /nfs/dbraw/zinc/91/46/37/1038914637.db2.gz XUTNZUMLRUQLAS-CQSZACIVSA-N 1 2 344.480 3.872 20 0 EHADLO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162839055 1038946856 /nfs/dbraw/zinc/94/68/56/1038946856.db2.gz BJBZMHIPONOMLO-LLVKDONJSA-N 1 2 343.333 3.761 20 0 EHADLO CC1(c2cc(=NCc3cc(-n4cc[nH+]c4)cs3)[nH]o2)CCCC1 ZINC000432732093 1038950007 /nfs/dbraw/zinc/95/00/07/1038950007.db2.gz SDBBQRTWRZOPMK-UHFFFAOYSA-N 1 2 328.441 3.788 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ncc(C(F)(F)F)s1 ZINC000432733174 1038951624 /nfs/dbraw/zinc/95/16/24/1038951624.db2.gz AZMMRVHEXSCACY-UHFFFAOYSA-N 1 2 340.374 3.956 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccccc1Cl ZINC000485375352 1038983007 /nfs/dbraw/zinc/98/30/07/1038983007.db2.gz HJXOBLGSPXJBBO-CJNGLKHVSA-N 1 2 340.920 3.591 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000760622704 1038996315 /nfs/dbraw/zinc/99/63/15/1038996315.db2.gz DRUUZANGJBVANP-MRXNPFEDSA-N 1 2 345.462 3.702 20 0 EHADLO O=C(N[C@@H](C1CCC1)C1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000645785630 1039024206 /nfs/dbraw/zinc/02/42/06/1039024206.db2.gz MCQCKUPGCQMAIR-IAGOWNOFSA-N 1 2 330.476 3.658 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753493 1039036050 /nfs/dbraw/zinc/03/60/50/1039036050.db2.gz CZHIZFCFNDBEFK-BXUZGUMPSA-N 1 2 348.365 3.713 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753493 1039036066 /nfs/dbraw/zinc/03/60/66/1039036066.db2.gz CZHIZFCFNDBEFK-BXUZGUMPSA-N 1 2 348.365 3.713 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000554191210 1039040524 /nfs/dbraw/zinc/04/05/24/1039040524.db2.gz FARUQUUEGBINNL-RYUDHWBXSA-N 1 2 328.334 3.932 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000554191210 1039040539 /nfs/dbraw/zinc/04/05/39/1039040539.db2.gz FARUQUUEGBINNL-RYUDHWBXSA-N 1 2 328.334 3.932 20 0 EHADLO COc1ccccc1/C=C/C[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898470781 1039102224 /nfs/dbraw/zinc/10/22/24/1039102224.db2.gz MLWXRPIMSRCYQN-WVOQPWCKSA-N 1 2 342.405 3.665 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898470781 1039102233 /nfs/dbraw/zinc/10/22/33/1039102233.db2.gz MLWXRPIMSRCYQN-WVOQPWCKSA-N 1 2 342.405 3.665 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000512431116 1039104067 /nfs/dbraw/zinc/10/40/67/1039104067.db2.gz XXLXNNGMDZOLNN-DLBZAZTESA-N 1 2 344.503 3.518 20 0 EHADLO COc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859057 1039141445 /nfs/dbraw/zinc/14/14/45/1039141445.db2.gz RQWWODYGAJGAQP-LSDHHAIUSA-N 1 2 345.361 3.715 20 0 EHADLO COc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC000905859057 1039141451 /nfs/dbraw/zinc/14/14/51/1039141451.db2.gz RQWWODYGAJGAQP-LSDHHAIUSA-N 1 2 345.361 3.715 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C2CCCC2)n1 ZINC000905853499 1039160336 /nfs/dbraw/zinc/16/03/36/1039160336.db2.gz KAVDAXGAMPRDMY-UHFFFAOYSA-N 1 2 335.411 3.516 20 0 EHADLO Cc1ccncc1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614053949 1039168436 /nfs/dbraw/zinc/16/84/36/1039168436.db2.gz DNHXPXBBOMNOQS-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO CO[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCC1 ZINC000614053866 1039171317 /nfs/dbraw/zinc/17/13/17/1039171317.db2.gz CJFYZCSNMPTFJQ-GOSISDBHSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1ccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000044083146 1039211477 /nfs/dbraw/zinc/21/14/77/1039211477.db2.gz WAPMXHQTBOKXBA-UHFFFAOYSA-N 1 2 340.496 3.654 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000488489143 1039224433 /nfs/dbraw/zinc/22/44/33/1039224433.db2.gz SLOXZOBBWIFLSJ-NBOOPKSLSA-N 1 2 341.503 3.804 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000668514619 1039259787 /nfs/dbraw/zinc/25/97/87/1039259787.db2.gz MEDDAIACYHYDEV-RTBURBONSA-N 1 2 337.467 3.885 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C3)cc1 ZINC000488549101 1039263450 /nfs/dbraw/zinc/26/34/50/1039263450.db2.gz VGTNJJUKZLFOSR-UHFFFAOYSA-N 1 2 349.482 3.760 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C3)cc1 ZINC000488549101 1039263453 /nfs/dbraw/zinc/26/34/53/1039263453.db2.gz VGTNJJUKZLFOSR-UHFFFAOYSA-N 1 2 349.482 3.760 20 0 EHADLO CCc1onc(C)c1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000927138151 1039310386 /nfs/dbraw/zinc/31/03/86/1039310386.db2.gz CUIXSSVBGSTRDH-NSHDSACASA-N 1 2 332.835 3.936 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554465511 1039366112 /nfs/dbraw/zinc/36/61/12/1039366112.db2.gz UGGDJOMUCZASOK-CVEARBPZSA-N 1 2 341.459 3.664 20 0 EHADLO CCCc1[nH+]c(C)cc(OCCc2csc(C)n2)c1C(=O)OC ZINC000419048630 1039373505 /nfs/dbraw/zinc/37/35/05/1039373505.db2.gz WHZJPZHUAQVEHW-UHFFFAOYSA-N 1 2 334.441 3.516 20 0 EHADLO CCCOCCOc1cccc(-c2cc(C)c3[nH+]cc(CO)n3c2)c1 ZINC000906162364 1039376932 /nfs/dbraw/zinc/37/69/32/1039376932.db2.gz OVDNDOMQIZZEAO-UHFFFAOYSA-N 1 2 340.423 3.607 20 0 EHADLO CCC[C@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000478335714 1039378688 /nfs/dbraw/zinc/37/86/88/1039378688.db2.gz FEAAFVLCQJQLLJ-KRWDZBQOSA-N 1 2 346.519 3.629 20 0 EHADLO C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000554513097 1039421518 /nfs/dbraw/zinc/42/15/18/1039421518.db2.gz CNYNYUGWWDLYTJ-PKOBYXMFSA-N 1 2 340.471 3.846 20 0 EHADLO Cc1ccc2oc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2c1 ZINC001203144348 1039439544 /nfs/dbraw/zinc/43/95/44/1039439544.db2.gz LOCOYEGVIQJQBB-UHFFFAOYSA-N 1 2 336.370 3.751 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000044138976 1039446219 /nfs/dbraw/zinc/44/62/19/1039446219.db2.gz LJVUFUHCYSYDKB-SECBINFHSA-N 1 2 329.256 3.565 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000668883216 1039451110 /nfs/dbraw/zinc/45/11/10/1039451110.db2.gz WPGPKZGWZCMNAH-UYAOXDASSA-N 1 2 337.467 3.898 20 0 EHADLO Cc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541514 1039459820 /nfs/dbraw/zinc/45/98/20/1039459820.db2.gz WFSKZZUIRHRVAP-INIZCTEOSA-N 1 2 349.438 3.860 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724765 1039467728 /nfs/dbraw/zinc/46/77/28/1039467728.db2.gz SLAADKHSSMYMKB-JCGIZDLHSA-N 1 2 338.442 3.899 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724765 1039467738 /nfs/dbraw/zinc/46/77/38/1039467738.db2.gz SLAADKHSSMYMKB-JCGIZDLHSA-N 1 2 338.442 3.899 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000667664761 1039480998 /nfs/dbraw/zinc/48/09/98/1039480998.db2.gz SFXMVROGQCGKFT-UHFFFAOYSA-N 1 2 349.500 3.664 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000667664761 1039481019 /nfs/dbraw/zinc/48/10/19/1039481019.db2.gz SFXMVROGQCGKFT-UHFFFAOYSA-N 1 2 349.500 3.664 20 0 EHADLO Cn1cc(Br)c(C[NH2+]C2(c3ccccc3)CCCC2)n1 ZINC000432854777 1039560097 /nfs/dbraw/zinc/56/00/97/1039560097.db2.gz SXBADYQRUXKFJC-UHFFFAOYSA-N 1 2 334.261 3.742 20 0 EHADLO Cc1cccnc1OC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663846652 1039571324 /nfs/dbraw/zinc/57/13/24/1039571324.db2.gz LUNMRBDTOMGODP-UHFFFAOYSA-N 1 2 334.423 3.568 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000489051793 1039573011 /nfs/dbraw/zinc/57/30/11/1039573011.db2.gz JZYLPDUFVRJKRZ-SFHVURJKSA-N 1 2 346.515 3.855 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000419193299 1039577719 /nfs/dbraw/zinc/57/77/19/1039577719.db2.gz UNUADVFCOZHOQY-RBUKOAKNSA-N 1 2 349.434 3.841 20 0 EHADLO Cc1sc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667368231 1039591923 /nfs/dbraw/zinc/59/19/23/1039591923.db2.gz KOJFEJUBXIXWED-GXTWGEPZSA-N 1 2 347.488 3.886 20 0 EHADLO Cc1c2ccccc2[nH+]c(NCCC[NH+](C(C)C)C(C)C)c1C(=O)[O-] ZINC000584722384 1039611959 /nfs/dbraw/zinc/61/19/59/1039611959.db2.gz MHYSFXOUGQSFND-UHFFFAOYSA-N 1 2 343.471 3.584 20 0 EHADLO CO[C@@H](CC(C)C)C[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000419197311 1039613574 /nfs/dbraw/zinc/61/35/74/1039613574.db2.gz ARCYXJJRLJSEHH-KRWDZBQOSA-N 1 2 349.475 3.960 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@H](C)c1ccccc1)C2 ZINC000364075437 1039662158 /nfs/dbraw/zinc/66/21/58/1039662158.db2.gz STYJIKJATUQXHR-YQQAZPJKSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H](C)c1ccccc1)CC2 ZINC000364075437 1039662167 /nfs/dbraw/zinc/66/21/67/1039662167.db2.gz STYJIKJATUQXHR-YQQAZPJKSA-N 1 2 339.483 3.946 20 0 EHADLO COc1cccc2c1C[C@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001143536130 1039703536 /nfs/dbraw/zinc/70/35/36/1039703536.db2.gz OLELBHPMBIXDGC-MRXNPFEDSA-N 1 2 347.418 3.625 20 0 EHADLO CC(C)(CNC(=O)/C=C\c1csc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000898911437 1039703537 /nfs/dbraw/zinc/70/35/37/1039703537.db2.gz RVKKSLVMOLRMTG-ARJAWSKDSA-N 1 2 343.374 3.528 20 0 EHADLO Cc1cccc(CCCNc2nc(Cl)nc3c2cnn3C(C)C)[nH+]1 ZINC000893810435 1039722207 /nfs/dbraw/zinc/72/22/07/1039722207.db2.gz ISNBGDJNWKIBFG-UHFFFAOYSA-N 1 2 344.850 3.809 20 0 EHADLO Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)c2ccccc2[nH+]1 ZINC000486230849 1039999425 /nfs/dbraw/zinc/99/94/25/1039999425.db2.gz NLUQATDOGRFSBL-UHFFFAOYSA-N 1 2 328.318 3.839 20 0 EHADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc(C(C)(C)C)cs1 ZINC000554986617 1040017773 /nfs/dbraw/zinc/01/77/73/1040017773.db2.gz HRISPHLUJISPTR-LLVKDONJSA-N 1 2 343.456 3.971 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000899121003 1040036611 /nfs/dbraw/zinc/03/66/11/1040036611.db2.gz WUVDBLSIQORQBE-KKFZBWNWSA-N 1 2 327.472 3.603 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)C2 ZINC000570493162 1040038027 /nfs/dbraw/zinc/03/80/27/1040038027.db2.gz WAQIEUUWFRFOLX-HUUCEWRRSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)CC2 ZINC000570493162 1040038042 /nfs/dbraw/zinc/03/80/42/1040038042.db2.gz WAQIEUUWFRFOLX-HUUCEWRRSA-N 1 2 331.504 3.971 20 0 EHADLO COc1ncc(Br)cc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000660256896 1040135309 /nfs/dbraw/zinc/13/53/09/1040135309.db2.gz MDQTUOHJHFDWBS-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(C)=O)c(C)c1 ZINC000907740418 1040140672 /nfs/dbraw/zinc/14/06/72/1040140672.db2.gz JEKZNERCMQJRHM-UHFFFAOYSA-N 1 2 341.455 3.509 20 0 EHADLO C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000912716913 1040145872 /nfs/dbraw/zinc/14/58/72/1040145872.db2.gz OLAKSUGSCJYPDN-OAQYLSRUSA-N 1 2 333.435 3.729 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669002950 1040163676 /nfs/dbraw/zinc/16/36/76/1040163676.db2.gz FIOYWZURVRKKFT-MMTROXRISA-N 1 2 337.467 3.832 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899205882 1040165381 /nfs/dbraw/zinc/16/53/81/1040165381.db2.gz OBIGKFQXGAVCSB-RBSFLKMASA-N 1 2 343.858 3.961 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899205882 1040165390 /nfs/dbraw/zinc/16/53/90/1040165390.db2.gz OBIGKFQXGAVCSB-RBSFLKMASA-N 1 2 343.858 3.961 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000584868580 1040169375 /nfs/dbraw/zinc/16/93/75/1040169375.db2.gz LEUSRSFDCUMCFK-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000584868580 1040169388 /nfs/dbraw/zinc/16/93/88/1040169388.db2.gz LEUSRSFDCUMCFK-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](CC)c1ccccc1 ZINC000667473846 1040171484 /nfs/dbraw/zinc/17/14/84/1040171484.db2.gz WYOCKAPVTOJNAC-KZNAEPCWSA-N 1 2 325.456 3.914 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1Cc2ccccc21 ZINC000907815905 1040185665 /nfs/dbraw/zinc/18/56/65/1040185665.db2.gz OFKPSGLDBIMAML-WMZOPIPTSA-N 1 2 349.478 3.771 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1Cc2ccccc21 ZINC000907815905 1040185672 /nfs/dbraw/zinc/18/56/72/1040185672.db2.gz OFKPSGLDBIMAML-WMZOPIPTSA-N 1 2 349.478 3.771 20 0 EHADLO CO[C@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)C1CCCC1 ZINC000660270266 1040189000 /nfs/dbraw/zinc/18/90/00/1040189000.db2.gz SIEQZUBFVFJOEE-RHSMWYFYSA-N 1 2 329.444 3.516 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)O1 ZINC000555131692 1040193986 /nfs/dbraw/zinc/19/39/86/1040193986.db2.gz PYKJTVMSGRTSCK-CQSZACIVSA-N 1 2 340.261 3.601 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCOc3ccc(Br)cc3C2)O1 ZINC000555131692 1040193994 /nfs/dbraw/zinc/19/39/94/1040193994.db2.gz PYKJTVMSGRTSCK-CQSZACIVSA-N 1 2 340.261 3.601 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000667475160 1040201306 /nfs/dbraw/zinc/20/13/06/1040201306.db2.gz GOQFDZVZXHDDEE-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000667475160 1040201321 /nfs/dbraw/zinc/20/13/21/1040201321.db2.gz GOQFDZVZXHDDEE-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO Cc1ccc(NC(=O)NC2(c3nccs3)CCCC2)c(N(C)C)[nH+]1 ZINC000162471185 1040207475 /nfs/dbraw/zinc/20/74/75/1040207475.db2.gz BVLNLCIXKYDSFX-UHFFFAOYSA-N 1 2 345.472 3.504 20 0 EHADLO Cc1ccc(-c2nnc(SCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1C ZINC000563440026 1040218557 /nfs/dbraw/zinc/21/85/57/1040218557.db2.gz OBEWEZRSZOTHAI-GASCZTMLSA-N 1 2 347.484 3.555 20 0 EHADLO Cc1ccc(-c2nnc(SCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1C ZINC000563440026 1040218570 /nfs/dbraw/zinc/21/85/70/1040218570.db2.gz OBEWEZRSZOTHAI-GASCZTMLSA-N 1 2 347.484 3.555 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162477063 1040224593 /nfs/dbraw/zinc/22/45/93/1040224593.db2.gz CIBMINZCJGTDMM-CQSZACIVSA-N 1 2 336.505 3.596 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(C)[nH+]1 ZINC000907949430 1040241694 /nfs/dbraw/zinc/24/16/94/1040241694.db2.gz VWYCZXVREXLJEI-SWLSCSKDSA-N 1 2 334.341 3.710 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000479428663 1040243865 /nfs/dbraw/zinc/24/38/65/1040243865.db2.gz RQMOMFNQZDNLQH-MRXNPFEDSA-N 1 2 325.456 3.612 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000555160423 1040243957 /nfs/dbraw/zinc/24/39/57/1040243957.db2.gz DINVJXJYXNEIHI-IAGOWNOFSA-N 1 2 340.471 3.652 20 0 EHADLO CCCC1CCC([N@H+](C)Cn2nc(C)c3ccccc3c2=O)CC1 ZINC000189905783 1040307550 /nfs/dbraw/zinc/30/75/50/1040307550.db2.gz QUKUAHUOJLNZBS-UHFFFAOYSA-N 1 2 327.472 3.953 20 0 EHADLO CCCC1CCC([N@@H+](C)Cn2nc(C)c3ccccc3c2=O)CC1 ZINC000189905783 1040307561 /nfs/dbraw/zinc/30/75/61/1040307561.db2.gz QUKUAHUOJLNZBS-UHFFFAOYSA-N 1 2 327.472 3.953 20 0 EHADLO Cc1nc(N[C@H](C)c2c(F)cncc2F)c(Br)c(C)[nH+]1 ZINC000663910262 1040371298 /nfs/dbraw/zinc/37/12/98/1040371298.db2.gz WOUTXMOAJPWJTL-ZCFIWIBFSA-N 1 2 343.175 3.702 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000668672840 1040391912 /nfs/dbraw/zinc/39/19/12/1040391912.db2.gz YUDRCORNHMQVDS-IBGZPJMESA-N 1 2 341.455 3.634 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000668672840 1040391930 /nfs/dbraw/zinc/39/19/30/1040391930.db2.gz YUDRCORNHMQVDS-IBGZPJMESA-N 1 2 341.455 3.634 20 0 EHADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000614179382 1040397211 /nfs/dbraw/zinc/39/72/11/1040397211.db2.gz QFORXZFVPDTJHF-AWEZNQCLSA-N 1 2 338.860 3.827 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000479616869 1040448873 /nfs/dbraw/zinc/44/88/73/1040448873.db2.gz OUGXUIMXLYCURT-ZDUSSCGKSA-N 1 2 348.516 3.949 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000479616869 1040448885 /nfs/dbraw/zinc/44/88/85/1040448885.db2.gz OUGXUIMXLYCURT-ZDUSSCGKSA-N 1 2 348.516 3.949 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000486833616 1040482826 /nfs/dbraw/zinc/48/28/26/1040482826.db2.gz KZUDKZDLFVZZAW-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO CCn1nc(C2CC2)cc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000908534739 1040501816 /nfs/dbraw/zinc/50/18/16/1040501816.db2.gz TVQXQRZXHFIANR-UHFFFAOYSA-N 1 2 349.438 3.647 20 0 EHADLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000553828815 1040508711 /nfs/dbraw/zinc/50/87/11/1040508711.db2.gz NMANILCITIFAGF-GXSJLCMTSA-N 1 2 335.860 3.738 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000433039048 1040524078 /nfs/dbraw/zinc/52/40/78/1040524078.db2.gz MHMZSBPXWVFREG-QFBILLFUSA-N 1 2 332.488 3.752 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)CC[S@@]1=O ZINC000433040415 1040525946 /nfs/dbraw/zinc/52/59/46/1040525946.db2.gz QVFQZLPITSAIRL-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)CC[S@@]1=O ZINC000433040415 1040525971 /nfs/dbraw/zinc/52/59/71/1040525971.db2.gz QVFQZLPITSAIRL-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2)cc1F ZINC000553889079 1040555030 /nfs/dbraw/zinc/55/50/30/1040555030.db2.gz GXACKJZTJAGAJR-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccnc3)n2)cc1F ZINC000553889079 1040555042 /nfs/dbraw/zinc/55/50/42/1040555042.db2.gz GXACKJZTJAGAJR-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(C(C)C)cs1)O[C@@H](C)C2 ZINC000553900620 1040564769 /nfs/dbraw/zinc/56/47/69/1040564769.db2.gz LFMHKGXSWNZHGO-LBPRGKRZSA-N 1 2 332.469 3.888 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000600053046 1040567625 /nfs/dbraw/zinc/56/76/25/1040567625.db2.gz NMCKRJWWYIELJU-LJQANCHMSA-N 1 2 340.492 3.689 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000418092594 1040571273 /nfs/dbraw/zinc/57/12/73/1040571273.db2.gz PETGKIODKGTHAG-UHFFFAOYSA-N 1 2 340.345 3.885 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@]1=O ZINC000433056306 1040576863 /nfs/dbraw/zinc/57/68/63/1040576863.db2.gz HMXCDVTUTZLZIO-BXKMTCNYSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@]1=O ZINC000433056306 1040576871 /nfs/dbraw/zinc/57/68/71/1040576871.db2.gz HMXCDVTUTZLZIO-BXKMTCNYSA-N 1 2 349.540 3.989 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C/C=C\c1ccncc1)c1ccc(Cl)cc1 ZINC000486935724 1040582809 /nfs/dbraw/zinc/58/28/09/1040582809.db2.gz MBGNRBQGKRDVNU-KVLZDYKBSA-N 1 2 338.842 3.861 20 0 EHADLO Fc1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)ccc1-n1cncn1 ZINC000555434806 1040585600 /nfs/dbraw/zinc/58/56/00/1040585600.db2.gz QJSXLOKJWPHJQR-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO Fc1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)ccc1-n1cncn1 ZINC000555434806 1040585610 /nfs/dbraw/zinc/58/56/10/1040585610.db2.gz QJSXLOKJWPHJQR-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000667856706 1040585955 /nfs/dbraw/zinc/58/59/55/1040585955.db2.gz SPWGTGGEWRQGSJ-OXJNMPFZSA-N 1 2 335.451 3.514 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cnc(C3CC3)o1)CCO2 ZINC000651470739 1040594272 /nfs/dbraw/zinc/59/42/72/1040594272.db2.gz JEVDQRSYRXYLEQ-CQSZACIVSA-N 1 2 349.228 3.928 20 0 EHADLO COCCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000247814552 1040651430 /nfs/dbraw/zinc/65/14/30/1040651430.db2.gz AKCMVKCUEZXINW-UHFFFAOYSA-N 1 2 347.484 3.604 20 0 EHADLO COCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000247814552 1040651436 /nfs/dbraw/zinc/65/14/36/1040651436.db2.gz AKCMVKCUEZXINW-UHFFFAOYSA-N 1 2 347.484 3.604 20 0 EHADLO COc1cccc(CN(C)C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000490702794 1040694415 /nfs/dbraw/zinc/69/44/15/1040694415.db2.gz NTVKUEKQNLCEAC-FLIBITNWSA-N 1 2 347.418 3.553 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000411303576 1040703637 /nfs/dbraw/zinc/70/36/37/1040703637.db2.gz VJRJJUMAIVQYNF-LSDHHAIUSA-N 1 2 336.501 3.623 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000411303576 1040703652 /nfs/dbraw/zinc/70/36/52/1040703652.db2.gz VJRJJUMAIVQYNF-LSDHHAIUSA-N 1 2 336.501 3.623 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000908951975 1040734022 /nfs/dbraw/zinc/73/40/22/1040734022.db2.gz GUJUDGDCCRWRGL-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)no2)cc1 ZINC000364312063 1040760092 /nfs/dbraw/zinc/76/00/92/1040760092.db2.gz YSPCEWQCYWODTH-HXUWFJFHSA-N 1 2 349.434 3.994 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(-c2ccco2)on1)c1ccccc1 ZINC000411395054 1040797601 /nfs/dbraw/zinc/79/76/01/1040797601.db2.gz VJRIDBYYDQOMTJ-SCLBCKFNSA-N 1 2 340.379 3.575 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@@H](c3c[nH]c4ncccc34)C2)c(C)[nH+]1 ZINC000913417515 1040809806 /nfs/dbraw/zinc/80/98/06/1040809806.db2.gz FTINHGODJJEZIG-MRXNPFEDSA-N 1 2 348.450 3.903 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509794635 1040842268 /nfs/dbraw/zinc/84/22/68/1040842268.db2.gz LOZBZXMDHCJHNH-KSZLIROESA-N 1 2 344.503 3.564 20 0 EHADLO CCC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000651491970 1040846882 /nfs/dbraw/zinc/84/68/82/1040846882.db2.gz ZBHWTXYQSBCSPY-KRWDZBQOSA-N 1 2 347.409 3.698 20 0 EHADLO CCCc1nc2ccccc2n1CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275159 1040893880 /nfs/dbraw/zinc/89/38/80/1040893880.db2.gz HONFSZKFSQWQEL-UHFFFAOYSA-N 1 2 347.422 3.665 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000246347341 1040907380 /nfs/dbraw/zinc/90/73/80/1040907380.db2.gz FLAITPRIRGYMRU-UGSOOPFHSA-N 1 2 348.537 3.918 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000246347341 1040907397 /nfs/dbraw/zinc/90/73/97/1040907397.db2.gz FLAITPRIRGYMRU-UGSOOPFHSA-N 1 2 348.537 3.918 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCc3cccc(C)c3C2)c1 ZINC000429576611 1040907793 /nfs/dbraw/zinc/90/77/93/1040907793.db2.gz NENRTIMILJWAKJ-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCc3cccc(C)c3C2)c1 ZINC000429576611 1040907815 /nfs/dbraw/zinc/90/78/15/1040907815.db2.gz NENRTIMILJWAKJ-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO C[Si](C)(C)CCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224906758 1040934020 /nfs/dbraw/zinc/93/40/20/1040934020.db2.gz MRDGJVAPSVGPKQ-UHFFFAOYSA-N 1 2 325.550 3.750 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911493 1040975824 /nfs/dbraw/zinc/97/58/24/1040975824.db2.gz VLMATVQDJPUUBY-UONOGXRCSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911493 1040975846 /nfs/dbraw/zinc/97/58/46/1040975846.db2.gz VLMATVQDJPUUBY-UONOGXRCSA-N 1 2 344.377 3.668 20 0 EHADLO C[C@H](C(=O)NCCNc1cccc[nH+]1)c1c(Cl)cccc1Cl ZINC000586749498 1040995142 /nfs/dbraw/zinc/99/51/42/1040995142.db2.gz DWTZPSAFPQZMOM-NSHDSACASA-N 1 2 338.238 3.720 20 0 EHADLO C[C@]1(c2ccccc2)CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000364375679 1041044741 /nfs/dbraw/zinc/04/47/41/1041044741.db2.gz FIVLCSBCYZCXKS-NRFANRHFSA-N 1 2 331.419 3.676 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000487703189 1041058567 /nfs/dbraw/zinc/05/85/67/1041058567.db2.gz VAGCCNIHTBJLSG-UHFFFAOYSA-N 1 2 347.462 3.947 20 0 EHADLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCC3)CC2)c1C ZINC000419278481 1041058543 /nfs/dbraw/zinc/05/85/43/1041058543.db2.gz AZJTVQIHOTWXCW-UHFFFAOYSA-N 1 2 332.488 3.731 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000481589658 1041104946 /nfs/dbraw/zinc/10/49/46/1041104946.db2.gz ANFADBOGNWMBFZ-LJQANCHMSA-N 1 2 341.426 3.540 20 0 EHADLO COCCSCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000487863267 1041135606 /nfs/dbraw/zinc/13/56/06/1041135606.db2.gz VURJCNPCFMYEOW-INIZCTEOSA-N 1 2 347.883 3.622 20 0 EHADLO COCCSCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000487863267 1041135612 /nfs/dbraw/zinc/13/56/12/1041135612.db2.gz VURJCNPCFMYEOW-INIZCTEOSA-N 1 2 347.883 3.622 20 0 EHADLO CC(F)(F)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000571020247 1041146798 /nfs/dbraw/zinc/14/67/98/1041146798.db2.gz GHADWRNNMIKSFR-UHFFFAOYSA-N 1 2 334.370 3.663 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccc(Br)cc2Cl)c(Cl)n1 ZINC000856767032 1041174485 /nfs/dbraw/zinc/17/44/85/1041174485.db2.gz GPWZXZUIOMEVRG-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO c1coc(-c2nc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cs2)c1 ZINC000433310462 1041268987 /nfs/dbraw/zinc/26/89/87/1041268987.db2.gz ICOPOUMSZXHGKR-UHFFFAOYSA-N 1 2 326.381 3.676 20 0 EHADLO CCSc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)ccn1 ZINC000433327678 1041288974 /nfs/dbraw/zinc/28/89/74/1041288974.db2.gz TYYKSRDEBYTTPC-UHFFFAOYSA-N 1 2 333.404 3.959 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364442407 1041297587 /nfs/dbraw/zinc/29/75/87/1041297587.db2.gz QWPWAFSENKDJJO-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000433345838 1041307337 /nfs/dbraw/zinc/30/73/37/1041307337.db2.gz ZGYXZNNYYPCEJD-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000500406976 1041371522 /nfs/dbraw/zinc/37/15/22/1041371522.db2.gz WGENHZGWTWZNNJ-QGZVFWFLSA-N 1 2 331.847 3.736 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000500406976 1041371530 /nfs/dbraw/zinc/37/15/30/1041371530.db2.gz WGENHZGWTWZNNJ-QGZVFWFLSA-N 1 2 331.847 3.736 20 0 EHADLO COc1cc(C)[nH+]c(CNCC(F)(F)c2ccc(Cl)cc2)c1 ZINC000513007173 1041380735 /nfs/dbraw/zinc/38/07/35/1041380735.db2.gz KIRWGYMQSVUTRI-UHFFFAOYSA-N 1 2 326.774 3.934 20 0 EHADLO COc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)c2ccccc12 ZINC000513014255 1041389681 /nfs/dbraw/zinc/38/96/81/1041389681.db2.gz GQPCSUAGXYLXLP-UHFFFAOYSA-N 1 2 333.435 3.878 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000128962147 1041426667 /nfs/dbraw/zinc/42/66/67/1041426667.db2.gz ZHPYHJUYUGZRRP-QGZVFWFLSA-N 1 2 333.435 3.884 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CCCC1 ZINC000432027000 1041470911 /nfs/dbraw/zinc/47/09/11/1041470911.db2.gz VWHPUOFDDWVQAL-UHFFFAOYSA-N 1 2 331.456 3.732 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CCCC1 ZINC000432027000 1041470916 /nfs/dbraw/zinc/47/09/16/1041470916.db2.gz VWHPUOFDDWVQAL-UHFFFAOYSA-N 1 2 331.456 3.732 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCCC1 ZINC000432030394 1041472069 /nfs/dbraw/zinc/47/20/69/1041472069.db2.gz FVAXLWPNYSGUAN-UHFFFAOYSA-N 1 2 348.830 3.913 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCCC1 ZINC000432030394 1041472074 /nfs/dbraw/zinc/47/20/74/1041472074.db2.gz FVAXLWPNYSGUAN-UHFFFAOYSA-N 1 2 348.830 3.913 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4ccc(F)cc4)C3)ccc2[nH+]1 ZINC000432060227 1041493246 /nfs/dbraw/zinc/49/32/46/1041493246.db2.gz DHSMIYRGQKNUJX-HNNXBMFYSA-N 1 2 338.386 3.803 20 0 EHADLO CCC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)C[C@@H]1CCCCO1 ZINC000111229961 1041534486 /nfs/dbraw/zinc/53/44/86/1041534486.db2.gz UDKTWBBWSUGYAP-KRWDZBQOSA-N 1 2 345.443 3.526 20 0 EHADLO CCC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)C[C@@H]1CCCCO1 ZINC000111229961 1041534493 /nfs/dbraw/zinc/53/44/93/1041534493.db2.gz UDKTWBBWSUGYAP-KRWDZBQOSA-N 1 2 345.443 3.526 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000111376063 1041547618 /nfs/dbraw/zinc/54/76/18/1041547618.db2.gz OBZNJMZSEXHUSJ-KKUMJFAQSA-N 1 2 345.512 3.930 20 0 EHADLO OCC[C@@H]1CCCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660497248 1041574625 /nfs/dbraw/zinc/57/46/25/1041574625.db2.gz VHPFBTRHNPEJCR-LBPRGKRZSA-N 1 2 347.684 3.625 20 0 EHADLO OCC[C@@H]1CCCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660497248 1041574631 /nfs/dbraw/zinc/57/46/31/1041574631.db2.gz VHPFBTRHNPEJCR-LBPRGKRZSA-N 1 2 347.684 3.625 20 0 EHADLO Fc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1F ZINC000545569787 1041587308 /nfs/dbraw/zinc/58/73/08/1041587308.db2.gz DUNCEPMVEFFBFN-UHFFFAOYSA-N 1 2 338.317 3.927 20 0 EHADLO C[N@H+](C[C@H]1CCc2ccccc2C1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766049 1041813534 /nfs/dbraw/zinc/81/35/34/1041813534.db2.gz ZWYQSKYLZZUNPF-OXJNMPFZSA-N 1 2 332.451 3.631 20 0 EHADLO C[N@@H+](C[C@H]1CCc2ccccc2C1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766049 1041813537 /nfs/dbraw/zinc/81/35/37/1041813537.db2.gz ZWYQSKYLZZUNPF-OXJNMPFZSA-N 1 2 332.451 3.631 20 0 EHADLO Fc1cc([C@H]2C[N@H+](C[C@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306513 1041920534 /nfs/dbraw/zinc/92/05/34/1041920534.db2.gz PUIZXKDTEUEUNB-BDJLRTHQSA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@H]2C[N@@H+](C[C@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306513 1041920547 /nfs/dbraw/zinc/92/05/47/1041920547.db2.gz PUIZXKDTEUEUNB-BDJLRTHQSA-N 1 2 348.245 3.932 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000075553028 1041938526 /nfs/dbraw/zinc/93/85/26/1041938526.db2.gz IAKNIORBHQGGBP-OAHLLOKOSA-N 1 2 334.423 3.595 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000045103395 1042042776 /nfs/dbraw/zinc/04/27/76/1042042776.db2.gz OCDVFEBEIFVKNL-IWERZKIRSA-N 1 2 331.485 3.633 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1F ZINC000651818880 1042072899 /nfs/dbraw/zinc/07/28/99/1042072899.db2.gz JCWQHKPMOWPVCX-UHFFFAOYSA-N 1 2 344.308 3.547 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CCC(C3CCC3)CC2)cs1)C1CC1 ZINC000661377611 1042092167 /nfs/dbraw/zinc/09/21/67/1042092167.db2.gz ZZZRKRAPHFJCHW-UHFFFAOYSA-N 1 2 333.501 3.671 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651843348 1042098380 /nfs/dbraw/zinc/09/83/80/1042098380.db2.gz CDPWUGXFPMXFNI-JKSUJKDBSA-N 1 2 331.504 3.873 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](C)c1cscn1)[C@@H](C)c1ccc(F)cc1 ZINC000661418224 1042110456 /nfs/dbraw/zinc/11/04/56/1042110456.db2.gz MUTVMYQHWGBIGU-OLZOCXBDSA-N 1 2 335.448 3.543 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661421669 1042113555 /nfs/dbraw/zinc/11/35/55/1042113555.db2.gz WFYPFSCLVFDZCU-QWHCGFSZSA-N 1 2 343.452 3.760 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000651883334 1042138219 /nfs/dbraw/zinc/13/82/19/1042138219.db2.gz BTPCJZVYKMPZOE-UHFFFAOYSA-N 1 2 342.201 3.847 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc(OC)c1 ZINC000661477883 1042139393 /nfs/dbraw/zinc/13/93/93/1042139393.db2.gz IXBPEOMQNIBMES-INIZCTEOSA-N 1 2 344.436 3.889 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000661487766 1042143795 /nfs/dbraw/zinc/14/37/95/1042143795.db2.gz PTYAETSGPKNALE-KSSFIOAISA-N 1 2 339.418 3.849 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000661508946 1042154688 /nfs/dbraw/zinc/15/46/88/1042154688.db2.gz BTFQTAUUCVDPNM-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000661508946 1042154690 /nfs/dbraw/zinc/15/46/90/1042154690.db2.gz BTFQTAUUCVDPNM-HNAYVOBHSA-N 1 2 326.415 3.586 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511818 1042165135 /nfs/dbraw/zinc/16/51/35/1042165135.db2.gz MVTRKGUATWMIDI-SUMWQHHRSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511818 1042165139 /nfs/dbraw/zinc/16/51/39/1042165139.db2.gz MVTRKGUATWMIDI-SUMWQHHRSA-N 1 2 344.455 3.607 20 0 EHADLO Cc1cncc(C[N@@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000661643652 1042233640 /nfs/dbraw/zinc/23/36/40/1042233640.db2.gz PDGDPEUOONBWNP-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cncc(C[N@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000661643652 1042233643 /nfs/dbraw/zinc/23/36/43/1042233643.db2.gz PDGDPEUOONBWNP-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1nc(CC[N@@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cs1 ZINC000661736500 1042291135 /nfs/dbraw/zinc/29/11/35/1042291135.db2.gz PHIGUXXOGRAZMC-KRWDZBQOSA-N 1 2 334.460 3.985 20 0 EHADLO Cc1nc(CC[N@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cs1 ZINC000661736500 1042291142 /nfs/dbraw/zinc/29/11/42/1042291142.db2.gz PHIGUXXOGRAZMC-KRWDZBQOSA-N 1 2 334.460 3.985 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000661740622 1042296664 /nfs/dbraw/zinc/29/66/64/1042296664.db2.gz OMXDIYYRFFQLJJ-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000661740622 1042296668 /nfs/dbraw/zinc/29/66/68/1042296668.db2.gz OMXDIYYRFFQLJJ-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661867927 1042376430 /nfs/dbraw/zinc/37/64/30/1042376430.db2.gz OQZMNTXRWCEWAH-MAUKXSAKSA-N 1 2 347.507 3.520 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000661873449 1042380037 /nfs/dbraw/zinc/38/00/37/1042380037.db2.gz FKTYZARLQICSBM-VXGBXAGGSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000661873449 1042380040 /nfs/dbraw/zinc/38/00/40/1042380040.db2.gz FKTYZARLQICSBM-VXGBXAGGSA-N 1 2 345.306 3.687 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(C)c(C)c1)C1CC1 ZINC000613847271 1042392560 /nfs/dbraw/zinc/39/25/60/1042392560.db2.gz LBLUKEXIDSNVMZ-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)C1CC1 ZINC000613847271 1042392566 /nfs/dbraw/zinc/39/25/66/1042392566.db2.gz LBLUKEXIDSNVMZ-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000026196492 1042432920 /nfs/dbraw/zinc/43/29/20/1042432920.db2.gz FIODPEQGAWCPBD-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000026196492 1042432922 /nfs/dbraw/zinc/43/29/22/1042432922.db2.gz FIODPEQGAWCPBD-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO c1cc(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)no1 ZINC000662048372 1042480819 /nfs/dbraw/zinc/48/08/19/1042480819.db2.gz UXBVTPCZQUXYJT-UHFFFAOYSA-N 1 2 326.425 3.573 20 0 EHADLO COCc1nc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cs1 ZINC000662049872 1042481876 /nfs/dbraw/zinc/48/18/76/1042481876.db2.gz LMWXAWOYFWJDJO-UHFFFAOYSA-N 1 2 344.480 3.649 20 0 EHADLO Clc1ccc(-n2ccc(C[NH+]3CCC(c4ccon4)CC3)n2)cc1 ZINC000662047351 1042483442 /nfs/dbraw/zinc/48/34/42/1042483442.db2.gz BNDPURUZVPNRNO-UHFFFAOYSA-N 1 2 342.830 3.893 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccccc1F ZINC000026211750 1042492735 /nfs/dbraw/zinc/49/27/35/1042492735.db2.gz YGIWIXGMELIQKV-AWEZNQCLSA-N 1 2 344.455 3.785 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccccc1F ZINC000026211750 1042492737 /nfs/dbraw/zinc/49/27/37/1042492737.db2.gz YGIWIXGMELIQKV-AWEZNQCLSA-N 1 2 344.455 3.785 20 0 EHADLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000662117786 1042528626 /nfs/dbraw/zinc/52/86/26/1042528626.db2.gz WJEDDNHNFLKOPW-SNVBAGLBSA-N 1 2 335.300 3.792 20 0 EHADLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000662117786 1042528630 /nfs/dbraw/zinc/52/86/30/1042528630.db2.gz WJEDDNHNFLKOPW-SNVBAGLBSA-N 1 2 335.300 3.792 20 0 EHADLO c1ccc(C(OCC[N@@H+]2CCc3nccnc3C2)c2ccccc2)cc1 ZINC000662126650 1042536941 /nfs/dbraw/zinc/53/69/41/1042536941.db2.gz MEVDRPKFUZXALA-UHFFFAOYSA-N 1 2 345.446 3.641 20 0 EHADLO c1ccc(C(OCC[N@H+]2CCc3nccnc3C2)c2ccccc2)cc1 ZINC000662126650 1042536944 /nfs/dbraw/zinc/53/69/44/1042536944.db2.gz MEVDRPKFUZXALA-UHFFFAOYSA-N 1 2 345.446 3.641 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1nccs1 ZINC000184433439 1042543774 /nfs/dbraw/zinc/54/37/74/1042543774.db2.gz OPCIYLGUQSPLCS-KSSFIOAISA-N 1 2 343.496 3.841 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000060459596 1042611184 /nfs/dbraw/zinc/61/11/84/1042611184.db2.gz NQFRUAXBHNTDOF-UHFFFAOYSA-N 1 2 340.442 3.907 20 0 EHADLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161857554 1042686095 /nfs/dbraw/zinc/68/60/95/1042686095.db2.gz OHRHTFIZOPSSTA-MRXNPFEDSA-N 1 2 339.439 3.543 20 0 EHADLO O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)Nc1ccc(F)cc1F ZINC000662331391 1042686487 /nfs/dbraw/zinc/68/64/87/1042686487.db2.gz NJMUQFXEWQEGLQ-UHFFFAOYSA-N 1 2 328.362 3.524 20 0 EHADLO O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)Nc1ccc(F)cc1F ZINC000662331391 1042686495 /nfs/dbraw/zinc/68/64/95/1042686495.db2.gz NJMUQFXEWQEGLQ-UHFFFAOYSA-N 1 2 328.362 3.524 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000663337988 1042716895 /nfs/dbraw/zinc/71/68/95/1042716895.db2.gz ABUAFRFFTXCLNO-KRWDZBQOSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000663337988 1042716898 /nfs/dbraw/zinc/71/68/98/1042716898.db2.gz ABUAFRFFTXCLNO-KRWDZBQOSA-N 1 2 340.471 3.781 20 0 EHADLO Cc1ccc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)c(Cl)c1 ZINC001167803823 1042791803 /nfs/dbraw/zinc/79/18/03/1042791803.db2.gz FEFQUEHMBDORHD-QGZVFWFLSA-N 1 2 337.250 3.792 20 0 EHADLO CS(=O)(=O)CCCCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000286753745 1042827057 /nfs/dbraw/zinc/82/70/57/1042827057.db2.gz GZFCBOZEKSIMOO-UHFFFAOYSA-N 1 2 326.849 3.515 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000026475591 1042931749 /nfs/dbraw/zinc/93/17/49/1042931749.db2.gz ANBIAWMVTUETKV-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000026475591 1042931752 /nfs/dbraw/zinc/93/17/52/1042931752.db2.gz ANBIAWMVTUETKV-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)ns3)C2)n1 ZINC000931749723 1042978188 /nfs/dbraw/zinc/97/81/88/1042978188.db2.gz MENLYPVSLIDOKQ-ZDUSSCGKSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nc(C(C)C)ns3)C2)n1 ZINC000931749723 1042978189 /nfs/dbraw/zinc/97/81/89/1042978189.db2.gz MENLYPVSLIDOKQ-ZDUSSCGKSA-N 1 2 336.530 3.881 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000722375401 1042985870 /nfs/dbraw/zinc/98/58/70/1042985870.db2.gz DVBOCEXIPNETCE-GFCCVEGCSA-N 1 2 326.625 3.534 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000604847526 1042994574 /nfs/dbraw/zinc/99/45/74/1042994574.db2.gz HTOURVCDFDCLDR-AEFFLSMTSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1 ZINC000663574618 1043009368 /nfs/dbraw/zinc/00/93/68/1043009368.db2.gz RFVLJZYYUGWQCP-INIZCTEOSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1 ZINC000663574618 1043009371 /nfs/dbraw/zinc/00/93/71/1043009371.db2.gz RFVLJZYYUGWQCP-INIZCTEOSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1c(Cl)c(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)nn1C ZINC000643285133 1043057752 /nfs/dbraw/zinc/05/77/52/1043057752.db2.gz JNEJBEFKGUBGCQ-APWZRJJASA-N 1 2 347.890 3.982 20 0 EHADLO Cc1c(Cl)c(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)nn1C ZINC000643285133 1043057764 /nfs/dbraw/zinc/05/77/64/1043057764.db2.gz JNEJBEFKGUBGCQ-APWZRJJASA-N 1 2 347.890 3.982 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1C ZINC000663618119 1043077277 /nfs/dbraw/zinc/07/72/77/1043077277.db2.gz KCCQUZAOFLJZRG-MRXNPFEDSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1C ZINC000663618119 1043077285 /nfs/dbraw/zinc/07/72/85/1043077285.db2.gz KCCQUZAOFLJZRG-MRXNPFEDSA-N 1 2 340.471 3.618 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1ccccc1Br ZINC000512068829 1043100051 /nfs/dbraw/zinc/10/00/51/1043100051.db2.gz ULIMNEMOZOSFIA-UHFFFAOYSA-N 1 2 336.229 3.756 20 0 EHADLO Cc1csc(C2([NH2+]Cc3ccc(Br)cn3)CCC2)n1 ZINC000344077283 1043214114 /nfs/dbraw/zinc/21/41/14/1043214114.db2.gz ZGWFBFVHRYRTSU-UHFFFAOYSA-N 1 2 338.274 3.778 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000344198859 1043411733 /nfs/dbraw/zinc/41/17/33/1043411733.db2.gz PYBFBUQNPUYBFX-UHFFFAOYSA-N 1 2 348.406 3.863 20 0 EHADLO CCCOc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1OCCC ZINC000279264664 1043669126 /nfs/dbraw/zinc/66/91/26/1043669126.db2.gz VJQDQALGKKGGOU-UHFFFAOYSA-N 1 2 331.416 3.559 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000344357834 1043731818 /nfs/dbraw/zinc/73/18/18/1043731818.db2.gz VDWDLHPLIBEYHF-UHFFFAOYSA-N 1 2 327.334 3.991 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+](C)Cc3cccc(OC)c3)n2)cc1 ZINC000007679161 1043732931 /nfs/dbraw/zinc/73/29/31/1043732931.db2.gz ZEOWXCPUORJZLC-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(OC)c3)n2)cc1 ZINC000007679161 1043732943 /nfs/dbraw/zinc/73/29/43/1043732943.db2.gz ZEOWXCPUORJZLC-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000644859250 1043792917 /nfs/dbraw/zinc/79/29/17/1043792917.db2.gz DWOXGKWBBNCDLN-UHFFFAOYSA-N 1 2 346.515 3.720 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H](c2ccsc2)O1 ZINC000663716805 1043801311 /nfs/dbraw/zinc/80/13/11/1043801311.db2.gz OGIJVELBQLSBMU-PXAZEXFGSA-N 1 2 325.437 3.845 20 0 EHADLO CC(C)(C)c1coc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)n1 ZINC000893685736 1043875699 /nfs/dbraw/zinc/87/56/99/1043875699.db2.gz SCHUGTJWMOPMTF-FQEVSTJZSA-N 1 2 326.440 3.994 20 0 EHADLO CC(C)(C)c1coc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)n1 ZINC000893685736 1043875714 /nfs/dbraw/zinc/87/57/14/1043875714.db2.gz SCHUGTJWMOPMTF-FQEVSTJZSA-N 1 2 326.440 3.994 20 0 EHADLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001167868728 1043943346 /nfs/dbraw/zinc/94/33/46/1043943346.db2.gz RVEIPVUGMNEBDF-OAHLLOKOSA-N 1 2 347.418 3.805 20 0 EHADLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001167868728 1043943353 /nfs/dbraw/zinc/94/33/53/1043943353.db2.gz RVEIPVUGMNEBDF-OAHLLOKOSA-N 1 2 347.418 3.805 20 0 EHADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)o1 ZINC000279394148 1044025725 /nfs/dbraw/zinc/02/57/25/1044025725.db2.gz CIVNBYUDTOCMPS-STQMWFEESA-N 1 2 325.416 3.742 20 0 EHADLO CC[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccs1 ZINC000096981752 1044050037 /nfs/dbraw/zinc/05/00/37/1044050037.db2.gz PGQIDTHVHRCAKC-UHFFFAOYSA-N 1 2 349.456 3.958 20 0 EHADLO CC[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccs1 ZINC000096981752 1044050049 /nfs/dbraw/zinc/05/00/49/1044050049.db2.gz PGQIDTHVHRCAKC-UHFFFAOYSA-N 1 2 349.456 3.958 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc(F)ccc3F)n2)c1 ZINC000279462084 1044107691 /nfs/dbraw/zinc/10/76/91/1044107691.db2.gz JDJBZYUOWQLFCT-NWDGAFQWSA-N 1 2 343.381 3.865 20 0 EHADLO CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000279551198 1044222166 /nfs/dbraw/zinc/22/21/66/1044222166.db2.gz ANJXVKRVNSVXHG-UKRRQHHQSA-N 1 2 331.391 3.545 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cs1 ZINC000344688745 1044277381 /nfs/dbraw/zinc/27/73/81/1044277381.db2.gz DUBALXJBGFVMTD-NSHDSACASA-N 1 2 346.481 3.659 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000344697892 1044302727 /nfs/dbraw/zinc/30/27/27/1044302727.db2.gz CKNCBHNOLBNTRC-SFHVURJKSA-N 1 2 341.455 3.523 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000344697892 1044302737 /nfs/dbraw/zinc/30/27/37/1044302737.db2.gz CKNCBHNOLBNTRC-SFHVURJKSA-N 1 2 341.455 3.523 20 0 EHADLO CCc1cc(N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)nc(C)[nH+]1 ZINC000436425286 1044379833 /nfs/dbraw/zinc/37/98/33/1044379833.db2.gz OUYZJYWTZNKITI-SJCJKPOMSA-N 1 2 331.847 3.967 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000112430160 1044605789 /nfs/dbraw/zinc/60/57/89/1044605789.db2.gz QYPQOALXZLJFFR-SFHVURJKSA-N 1 2 328.460 3.668 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279816574 1044688962 /nfs/dbraw/zinc/68/89/62/1044688962.db2.gz XVWYAEOOSQMNCY-OAHLLOKOSA-N 1 2 331.410 3.898 20 0 EHADLO COc1ccc([C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000620363717 1125555323 /nfs/dbraw/zinc/55/53/23/1125555323.db2.gz YCBKDRNEGQOHTO-IIBYNOLFSA-N 1 2 349.434 3.749 20 0 EHADLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000076154045 1125557317 /nfs/dbraw/zinc/55/73/17/1125557317.db2.gz LVQXXRNQMUDELL-UXPWSPDFSA-N 1 2 342.389 3.770 20 0 EHADLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000076154045 1125557328 /nfs/dbraw/zinc/55/73/28/1125557328.db2.gz LVQXXRNQMUDELL-UXPWSPDFSA-N 1 2 342.389 3.770 20 0 EHADLO CC[C@@H]1CCC[C@H](C)N1C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000620577909 1125599635 /nfs/dbraw/zinc/59/96/35/1125599635.db2.gz RHDSJELZPGBJTB-WCQYABFASA-N 1 2 335.398 3.803 20 0 EHADLO O=C(CCC1CCCC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546499 1126714975 /nfs/dbraw/zinc/71/49/75/1126714975.db2.gz ZUZAFJOZBHRCFC-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO O=C(CCC1CCCC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546499 1126714979 /nfs/dbraw/zinc/71/49/79/1126714979.db2.gz ZUZAFJOZBHRCFC-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO O[C@@H](COc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1Cl ZINC000185044862 1126743051 /nfs/dbraw/zinc/74/30/51/1126743051.db2.gz CUZKZSDQBCHFIR-KRWDZBQOSA-N 1 2 332.762 3.777 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cccc(-c2cccs2)c1 ZINC000171378532 1126764588 /nfs/dbraw/zinc/76/45/88/1126764588.db2.gz VIJVPMPNGGSUIG-UHFFFAOYSA-N 1 2 326.425 3.823 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCN(C)c1ccccc1 ZINC000671241066 1126815784 /nfs/dbraw/zinc/81/57/84/1126815784.db2.gz KDXVVWITHWUQCQ-MRXNPFEDSA-N 1 2 336.439 3.866 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000671241066 1126815787 /nfs/dbraw/zinc/81/57/87/1126815787.db2.gz KDXVVWITHWUQCQ-MRXNPFEDSA-N 1 2 336.439 3.866 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000623120561 1126880223 /nfs/dbraw/zinc/88/02/23/1126880223.db2.gz BDYGQGVKZMSWBC-INIZCTEOSA-N 1 2 328.378 3.528 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000623120561 1126880229 /nfs/dbraw/zinc/88/02/29/1126880229.db2.gz BDYGQGVKZMSWBC-INIZCTEOSA-N 1 2 328.378 3.528 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000623121103 1126880621 /nfs/dbraw/zinc/88/06/21/1126880621.db2.gz QCBJXDOVPHMWHD-INIZCTEOSA-N 1 2 348.384 3.913 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000623121103 1126880626 /nfs/dbraw/zinc/88/06/26/1126880626.db2.gz QCBJXDOVPHMWHD-INIZCTEOSA-N 1 2 348.384 3.913 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1=O ZINC000623232114 1126899282 /nfs/dbraw/zinc/89/92/82/1126899282.db2.gz VBCOJRBDEOXNKL-SJLPKXTDSA-N 1 2 342.439 3.666 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCc3ccc(F)c(Br)c3C2)CO1 ZINC000623255363 1126903823 /nfs/dbraw/zinc/90/38/23/1126903823.db2.gz CNRBEOOTYYIEDJ-LLVKDONJSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCc3ccc(F)c(Br)c3C2)CO1 ZINC000623255363 1126903826 /nfs/dbraw/zinc/90/38/26/1126903826.db2.gz CNRBEOOTYYIEDJ-LLVKDONJSA-N 1 2 328.225 3.514 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000623253198 1126905865 /nfs/dbraw/zinc/90/58/65/1126905865.db2.gz GEKKVRKBKGBLDV-HXUWFJFHSA-N 1 2 337.398 3.708 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCCn3cc[nH+]c3)CCCCC2)c1 ZINC000623265235 1126907993 /nfs/dbraw/zinc/90/79/93/1126907993.db2.gz YJEJYPSCNKJPAA-UHFFFAOYSA-N 1 2 339.483 3.990 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000185482327 1126907172 /nfs/dbraw/zinc/90/71/72/1126907172.db2.gz PXBFMUZKUVWXRE-KOLCDFICSA-N 1 2 348.256 3.742 20 0 EHADLO CC(C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(-c2ccccc2)cc1 ZINC000623263147 1126907767 /nfs/dbraw/zinc/90/77/67/1126907767.db2.gz DHUYXZYEHCEJAI-LJQANCHMSA-N 1 2 345.446 3.569 20 0 EHADLO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)on1 ZINC000192503146 1126912719 /nfs/dbraw/zinc/91/27/19/1126912719.db2.gz BIWMTKKSTCDGGY-QMMMGPOBSA-N 1 2 346.189 3.718 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000072916805 1126926087 /nfs/dbraw/zinc/92/60/87/1126926087.db2.gz OVRNRVBGJBNZDA-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000072916805 1126926091 /nfs/dbraw/zinc/92/60/91/1126926091.db2.gz OVRNRVBGJBNZDA-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCOc1ccc(Br)c(C[NH+]2CC3CC(C3)C2)c1F ZINC001238291078 1126947612 /nfs/dbraw/zinc/94/76/12/1126947612.db2.gz MJVDSVAWHIHHNY-UHFFFAOYSA-N 1 2 328.225 3.829 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(C)c(Br)cn1)c1ccc(C)o1 ZINC000623437891 1126953773 /nfs/dbraw/zinc/95/37/73/1126953773.db2.gz CITNELNCLMTKRC-CQSZACIVSA-N 1 2 339.233 3.531 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)s1 ZINC000623432313 1126954996 /nfs/dbraw/zinc/95/49/96/1126954996.db2.gz MSEOCTPBEBEIKR-UHFFFAOYSA-N 1 2 334.338 3.822 20 0 EHADLO CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185605832 1126956588 /nfs/dbraw/zinc/95/65/88/1126956588.db2.gz XPUQOQIRLQSBKT-GHMZBOCLSA-N 1 2 348.256 3.743 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cncs1)Cc1ccccc1 ZINC000185634283 1126964196 /nfs/dbraw/zinc/96/41/96/1126964196.db2.gz QUFKIAOQENPINB-UHFFFAOYSA-N 1 2 347.484 3.670 20 0 EHADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cncs1)Cc1ccccc1 ZINC000185634283 1126964199 /nfs/dbraw/zinc/96/41/99/1126964199.db2.gz QUFKIAOQENPINB-UHFFFAOYSA-N 1 2 347.484 3.670 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000623488181 1126965931 /nfs/dbraw/zinc/96/59/31/1126965931.db2.gz KQVRDDUIECZAIQ-UHFFFAOYSA-N 1 2 348.393 3.792 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000177959753 1127003608 /nfs/dbraw/zinc/00/36/08/1127003608.db2.gz YPNVOKWVGYWZMB-RTBURBONSA-N 1 2 348.450 3.545 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(Br)cc1F ZINC000732231204 1130903136 /nfs/dbraw/zinc/90/31/36/1130903136.db2.gz LDYSGKDVIROREH-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178204709 1127012497 /nfs/dbraw/zinc/01/24/97/1127012497.db2.gz WCRATFTVXGDZFE-UHFFFAOYSA-N 1 2 337.427 3.501 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C(C)(C)C)n1 ZINC000179707249 1127082663 /nfs/dbraw/zinc/08/26/63/1127082663.db2.gz ODERBPLADWUDBO-QGZVFWFLSA-N 1 2 347.890 3.945 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C(C)(C)C)n1 ZINC000179707249 1127082668 /nfs/dbraw/zinc/08/26/68/1127082668.db2.gz ODERBPLADWUDBO-QGZVFWFLSA-N 1 2 347.890 3.945 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000179860051 1127096585 /nfs/dbraw/zinc/09/65/85/1127096585.db2.gz ZCGQWKPNODMAEQ-HNNXBMFYSA-N 1 2 344.365 3.742 20 0 EHADLO COc1cc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)ccc1OC(C)C ZINC000351411715 1127177748 /nfs/dbraw/zinc/17/77/48/1127177748.db2.gz MFQCDGUDUFCRNZ-CYBMUJFWSA-N 1 2 342.399 3.533 20 0 EHADLO O=C1[C@@H]([NH2+][C@@H]2CCCc3scnc32)CCN1c1ccc(Cl)cc1 ZINC000623917758 1127214954 /nfs/dbraw/zinc/21/49/54/1127214954.db2.gz YADVTRNTJMTPRQ-KGLIPLIRSA-N 1 2 347.871 3.569 20 0 EHADLO OC[C@H]([NH2+][C@@H]1CCCc2scnc21)c1ccc(C(F)(F)F)cc1 ZINC000623925347 1127218134 /nfs/dbraw/zinc/21/81/34/1127218134.db2.gz CADATKADJYFKLA-OLZOCXBDSA-N 1 2 342.386 3.863 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)n1 ZINC000623978977 1127226765 /nfs/dbraw/zinc/22/67/65/1127226765.db2.gz MBLDETANXXADDP-NVXWUHKLSA-N 1 2 339.464 3.705 20 0 EHADLO Cc1cccc([C@@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)n1 ZINC000624042037 1127240847 /nfs/dbraw/zinc/24/08/47/1127240847.db2.gz QYWOYCSJLVSNPI-KRWDZBQOSA-N 1 2 329.407 3.927 20 0 EHADLO CSc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1F ZINC000182879988 1127352304 /nfs/dbraw/zinc/35/23/04/1127352304.db2.gz QAXRKRBPGITMQH-CYBMUJFWSA-N 1 2 347.459 3.952 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nccn2C(C)C)cnn1-c1ccc(F)cc1 ZINC000182996810 1127357796 /nfs/dbraw/zinc/35/77/96/1127357796.db2.gz SLNKGMVGYLVZEL-CQSZACIVSA-N 1 2 341.434 3.948 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nccn2C)c(OCC(F)(F)F)c1 ZINC000183100122 1127363036 /nfs/dbraw/zinc/36/30/36/1127363036.db2.gz OPDOLMQKRYCHPL-GFCCVEGCSA-N 1 2 327.350 3.520 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(CC(C)C)c2)[C@H](C)CO1 ZINC000183351959 1127373691 /nfs/dbraw/zinc/37/36/91/1127373691.db2.gz SQWKSVXBNYPLHH-XLIONFOSSA-N 1 2 327.472 3.810 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(CC(C)C)c2)[C@H](C)CO1 ZINC000183351959 1127373694 /nfs/dbraw/zinc/37/36/94/1127373694.db2.gz SQWKSVXBNYPLHH-XLIONFOSSA-N 1 2 327.472 3.810 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccco1 ZINC000184181099 1127397082 /nfs/dbraw/zinc/39/70/82/1127397082.db2.gz BVFUOAMBMAOCIR-YOEHRIQHSA-N 1 2 348.418 3.749 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000184196002 1127397649 /nfs/dbraw/zinc/39/76/49/1127397649.db2.gz HWQXFPKLZFBBMJ-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000184247949 1127399781 /nfs/dbraw/zinc/39/97/81/1127399781.db2.gz RIUKDARYWVNNJM-GDBMZVCRSA-N 1 2 331.485 3.760 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1SC)c1ccc(C)o1 ZINC000184728122 1127412003 /nfs/dbraw/zinc/41/20/03/1127412003.db2.gz WOQBTAWQHMLFNU-DZGCQCFKSA-N 1 2 348.468 3.614 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184730144 1127412585 /nfs/dbraw/zinc/41/25/85/1127412585.db2.gz FMUHFWNSOQUIBP-WBVHZDCISA-N 1 2 330.428 3.509 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@@H](CC)c1nccs1)c1ccccc1 ZINC000185106325 1127420858 /nfs/dbraw/zinc/42/08/58/1127420858.db2.gz VFMIVSJTRHNLOR-HOTGVXAUSA-N 1 2 331.485 3.841 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000193195341 1127434510 /nfs/dbraw/zinc/43/45/10/1127434510.db2.gz HYAUCIXXJBKRLR-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000193195341 1127434513 /nfs/dbraw/zinc/43/45/13/1127434513.db2.gz HYAUCIXXJBKRLR-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196706 1127434592 /nfs/dbraw/zinc/43/45/92/1127434592.db2.gz YOURCSLQJOTVNF-OCCSQVGLSA-N 1 2 328.378 3.850 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193196706 1127434593 /nfs/dbraw/zinc/43/45/93/1127434593.db2.gz YOURCSLQJOTVNF-OCCSQVGLSA-N 1 2 328.378 3.850 20 0 EHADLO Cc1ccc(I)c(C[N@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001238803043 1127485446 /nfs/dbraw/zinc/48/54/46/1127485446.db2.gz AGSIGNUFQDGADD-PWSUYJOCSA-N 1 2 333.188 3.532 20 0 EHADLO Cc1ccc(I)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001238803043 1127485450 /nfs/dbraw/zinc/48/54/50/1127485450.db2.gz AGSIGNUFQDGADD-PWSUYJOCSA-N 1 2 333.188 3.532 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001137526455 1127551450 /nfs/dbraw/zinc/55/14/50/1127551450.db2.gz QJQCSKKWJMSIGR-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001137526455 1127551454 /nfs/dbraw/zinc/55/14/54/1127551454.db2.gz QJQCSKKWJMSIGR-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000765269466 1127591079 /nfs/dbraw/zinc/59/10/79/1127591079.db2.gz JBJOBIXNKYFAHJ-GJZGRUSLSA-N 1 2 337.533 3.819 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000765323199 1127597403 /nfs/dbraw/zinc/59/74/03/1127597403.db2.gz QTWRMYRYOVUOOB-WAVCKPEOSA-N 1 2 326.465 3.667 20 0 EHADLO Cc1ccc(CCC2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000014300512 1127646444 /nfs/dbraw/zinc/64/64/44/1127646444.db2.gz ROGDVCHCVRMYGD-UHFFFAOYSA-N 1 2 335.455 3.521 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)[C@@H]1C ZINC000015294217 1127651937 /nfs/dbraw/zinc/65/19/37/1127651937.db2.gz PASLQYPMMJWRJJ-BZPMIXESSA-N 1 2 328.909 3.774 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)[C@@H]1C ZINC000015294217 1127651939 /nfs/dbraw/zinc/65/19/39/1127651939.db2.gz PASLQYPMMJWRJJ-BZPMIXESSA-N 1 2 328.909 3.774 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000016564016 1127663776 /nfs/dbraw/zinc/66/37/76/1127663776.db2.gz RGLMKYSWVMQREZ-UHFFFAOYSA-N 1 2 340.467 3.891 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000016564016 1127663780 /nfs/dbraw/zinc/66/37/80/1127663780.db2.gz RGLMKYSWVMQREZ-UHFFFAOYSA-N 1 2 340.467 3.891 20 0 EHADLO O=C(c1ccc2ccccc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022662238 1127691234 /nfs/dbraw/zinc/69/12/34/1127691234.db2.gz AHIJIDMENQXETB-UHFFFAOYSA-N 1 2 336.460 3.859 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000024050838 1127702045 /nfs/dbraw/zinc/70/20/45/1127702045.db2.gz NYCGQRHMEPVSCL-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000024791420 1127711223 /nfs/dbraw/zinc/71/12/23/1127711223.db2.gz BCFAIOGCDAFKTF-AWEZNQCLSA-N 1 2 342.439 3.546 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000024791420 1127711225 /nfs/dbraw/zinc/71/12/25/1127711225.db2.gz BCFAIOGCDAFKTF-AWEZNQCLSA-N 1 2 342.439 3.546 20 0 EHADLO Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654710258 1127730499 /nfs/dbraw/zinc/73/04/99/1127730499.db2.gz DRRYFIXNFPYIAE-KRWDZBQOSA-N 1 2 348.450 3.521 20 0 EHADLO Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654710258 1127730502 /nfs/dbraw/zinc/73/05/02/1127730502.db2.gz DRRYFIXNFPYIAE-KRWDZBQOSA-N 1 2 348.450 3.521 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1coc(C(F)F)c1 ZINC000624283222 1127762454 /nfs/dbraw/zinc/76/24/54/1127762454.db2.gz ICIAJBBAGDGFPA-UHFFFAOYSA-N 1 2 335.354 3.533 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921608924 1127764023 /nfs/dbraw/zinc/76/40/23/1127764023.db2.gz OSDMQTRSZAJVRR-UHFFFAOYSA-N 1 2 326.227 3.892 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000026901854 1127774984 /nfs/dbraw/zinc/77/49/84/1127774984.db2.gz XIQUKFIFDYVRSF-UHFFFAOYSA-N 1 2 344.267 3.829 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000026901854 1127774987 /nfs/dbraw/zinc/77/49/87/1127774987.db2.gz XIQUKFIFDYVRSF-UHFFFAOYSA-N 1 2 344.267 3.829 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccs1 ZINC000265577236 1127779061 /nfs/dbraw/zinc/77/90/61/1127779061.db2.gz WZFHFPGKXRWHKC-CABCVRRESA-N 1 2 344.480 3.884 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1nccn1C ZINC000624289193 1127784851 /nfs/dbraw/zinc/78/48/51/1127784851.db2.gz HBEWLXURIZLQLQ-HZMBPMFUSA-N 1 2 328.243 3.501 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289333 1127787141 /nfs/dbraw/zinc/78/71/41/1127787141.db2.gz JKFZPOZIYPQCHI-NHYWBVRUSA-N 1 2 342.270 3.984 20 0 EHADLO CCOC(=O)C1=C(Nc2cccc(-c3c[nH+]cn3C)c2)CCCC1 ZINC001168564346 1127812375 /nfs/dbraw/zinc/81/23/75/1127812375.db2.gz MDLBIQVQPJYQSI-UHFFFAOYSA-N 1 2 325.412 3.890 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152891 1127814624 /nfs/dbraw/zinc/81/46/24/1127814624.db2.gz BRXBEJOFLLJIDH-UGSOOPFHSA-N 1 2 342.483 3.672 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)o1 ZINC000030152891 1127814629 /nfs/dbraw/zinc/81/46/29/1127814629.db2.gz BRXBEJOFLLJIDH-UGSOOPFHSA-N 1 2 342.483 3.672 20 0 EHADLO CC[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000030217361 1127816280 /nfs/dbraw/zinc/81/62/80/1127816280.db2.gz KIVWOWUCJJBCGA-HXUWFJFHSA-N 1 2 333.435 3.741 20 0 EHADLO COc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000030516132 1127820615 /nfs/dbraw/zinc/82/06/15/1127820615.db2.gz DLWWVPKEPPVTQS-UHFFFAOYSA-N 1 2 347.418 3.686 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2cc1O ZINC000030608413 1127822678 /nfs/dbraw/zinc/82/26/78/1127822678.db2.gz RBYRMEKTUMJBBQ-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CCCc1cc(NCc2ccc(CC(=O)OC)cc2)nc(CCC)[nH+]1 ZINC001168566890 1127832787 /nfs/dbraw/zinc/83/27/87/1127832787.db2.gz YGBOSCFNZQNNPN-UHFFFAOYSA-N 1 2 341.455 3.709 20 0 EHADLO O=C(NC1(c2nccs2)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172256252 1127858918 /nfs/dbraw/zinc/85/89/18/1127858918.db2.gz AICXLDKFBQKBFQ-UHFFFAOYSA-N 1 2 338.436 3.528 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000042242128 1127888197 /nfs/dbraw/zinc/88/81/97/1127888197.db2.gz CLJUNOGSKHNCIC-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000042242128 1127888199 /nfs/dbraw/zinc/88/81/99/1127888199.db2.gz CLJUNOGSKHNCIC-GFCCVEGCSA-N 1 2 332.806 3.864 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000042297680 1127888912 /nfs/dbraw/zinc/88/89/12/1127888912.db2.gz RDUHPJFWYBTDPR-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000042297680 1127888914 /nfs/dbraw/zinc/88/89/14/1127888914.db2.gz RDUHPJFWYBTDPR-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCCCC3)n2)C1 ZINC000043467419 1127920405 /nfs/dbraw/zinc/92/04/05/1127920405.db2.gz FDBFHDQBZOEKBN-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCCCC3)n2)C1 ZINC000043467419 1127920408 /nfs/dbraw/zinc/92/04/08/1127920408.db2.gz FDBFHDQBZOEKBN-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO CCCN(CC1CC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517848 1127921379 /nfs/dbraw/zinc/92/13/79/1127921379.db2.gz JFZYIZZEAFKXJB-UHFFFAOYSA-N 1 2 336.505 3.783 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccccc1C(F)(F)F ZINC000043644274 1127923933 /nfs/dbraw/zinc/92/39/33/1127923933.db2.gz IONHVQCLPPYFNU-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccccc1C(F)(F)F ZINC000043644274 1127923935 /nfs/dbraw/zinc/92/39/35/1127923935.db2.gz IONHVQCLPPYFNU-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO Fc1cc2cccnc2c(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000043783066 1127926777 /nfs/dbraw/zinc/92/67/77/1127926777.db2.gz QLMRHFGMGSJKSO-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(F)c(Cl)c3)cc2[nH+]1 ZINC000044686033 1127939313 /nfs/dbraw/zinc/93/93/13/1127939313.db2.gz MIUYFMQZLIEWFV-UHFFFAOYSA-N 1 2 333.750 3.681 20 0 EHADLO Cc1c(Br)cccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358382 1127959312 /nfs/dbraw/zinc/95/93/12/1127959312.db2.gz IMVFOMRHFXMUPP-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO O=C(COc1ccccc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859989 1127962385 /nfs/dbraw/zinc/96/23/85/1127962385.db2.gz TUFHRVFEOCVHRL-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccsc2)C[C@H](C)O1 ZINC000046342768 1127976481 /nfs/dbraw/zinc/97/64/81/1127976481.db2.gz ZJWCCCDCIGUSDJ-OKILXGFUSA-N 1 2 330.453 3.610 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccsc2)C[C@H](C)O1 ZINC000046342768 1127976483 /nfs/dbraw/zinc/97/64/83/1127976483.db2.gz ZJWCCCDCIGUSDJ-OKILXGFUSA-N 1 2 330.453 3.610 20 0 EHADLO Fc1cc(F)c(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC001212360228 1127980351 /nfs/dbraw/zinc/98/03/51/1127980351.db2.gz PHLSTSFQNPTSOS-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2s1 ZINC000046618982 1127984501 /nfs/dbraw/zinc/98/45/01/1127984501.db2.gz QITFTRKWTPVBSL-UHFFFAOYSA-N 1 2 337.448 3.695 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046943926 1127996012 /nfs/dbraw/zinc/99/60/12/1127996012.db2.gz YACSXSJIDMAHSA-KRWDZBQOSA-N 1 2 342.418 3.569 20 0 EHADLO O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047238532 1128004093 /nfs/dbraw/zinc/00/40/93/1128004093.db2.gz GNYZWZLPKKLHNR-UHFFFAOYSA-N 1 2 335.451 3.630 20 0 EHADLO O=C(Nc1cnc2ccccc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249702 1128004194 /nfs/dbraw/zinc/00/41/94/1128004194.db2.gz RRPICOLBCPIMMW-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CCCCn1c(SCc2cccnc2)nnc1[C@@H](CC)[NH+](C)C ZINC000058500694 1128070659 /nfs/dbraw/zinc/07/06/59/1128070659.db2.gz HCEYVTJSRVLWSN-OAHLLOKOSA-N 1 2 333.505 3.778 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000058754893 1128078725 /nfs/dbraw/zinc/07/87/25/1128078725.db2.gz KXXNKBYXUZLHOM-NSHDSACASA-N 1 2 347.311 3.638 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000060407987 1128101189 /nfs/dbraw/zinc/10/11/89/1128101189.db2.gz RFIZJXLMKCOVCY-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)cccc1SC ZINC000282222050 1128101829 /nfs/dbraw/zinc/10/18/29/1128101829.db2.gz GXFUOBGZAVWPCU-UHFFFAOYSA-N 1 2 349.475 3.859 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c(OC2CCCC2)c1 ZINC000282239950 1128124159 /nfs/dbraw/zinc/12/41/59/1128124159.db2.gz PUOVWRHVNQXMSC-OAHLLOKOSA-N 1 2 343.471 3.909 20 0 EHADLO CNc1ccc(Nc2c(Br)cc(F)cc2OC)c[nH+]1 ZINC001203459759 1128145664 /nfs/dbraw/zinc/14/56/64/1128145664.db2.gz QWAUDAZRJPJLMN-UHFFFAOYSA-N 1 2 326.169 3.777 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cccc(Oc2ccccc2)c1 ZINC000063707192 1128152936 /nfs/dbraw/zinc/15/29/36/1128152936.db2.gz HYXUOXYZBAYGGB-UHFFFAOYSA-N 1 2 333.391 3.716 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000065296983 1128187467 /nfs/dbraw/zinc/18/74/67/1128187467.db2.gz SPCPIQDOCYEQKC-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000065296983 1128187468 /nfs/dbraw/zinc/18/74/68/1128187468.db2.gz SPCPIQDOCYEQKC-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761306 1128248441 /nfs/dbraw/zinc/24/84/41/1128248441.db2.gz KGKKZHFJAVSPEW-LLVKDONJSA-N 1 2 345.399 3.687 20 0 EHADLO Cn1cc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000065852088 1128204961 /nfs/dbraw/zinc/20/49/61/1128204961.db2.gz FDQOWIRABDERIL-UHFFFAOYSA-N 1 2 348.381 3.684 20 0 EHADLO Cc1cc(N2CCC(Oc3cncc(Cl)c3)CC2)nc(C2CC2)[nH+]1 ZINC000624363552 1128208815 /nfs/dbraw/zinc/20/88/15/1128208815.db2.gz GSWKYMUPJNBCQU-UHFFFAOYSA-N 1 2 344.846 3.759 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000066155479 1128211597 /nfs/dbraw/zinc/21/15/97/1128211597.db2.gz GQWJPBSPJKBZAG-ZDUSSCGKSA-N 1 2 339.892 3.625 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000066155479 1128211600 /nfs/dbraw/zinc/21/16/00/1128211600.db2.gz GQWJPBSPJKBZAG-ZDUSSCGKSA-N 1 2 339.892 3.625 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000068421897 1128266192 /nfs/dbraw/zinc/26/61/92/1128266192.db2.gz JLORDQSQGOHFDI-HZPDHXFCSA-N 1 2 343.858 3.847 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068419674 1128266239 /nfs/dbraw/zinc/26/62/39/1128266239.db2.gz OUVFCDPEXBVLGL-UHFFFAOYSA-N 1 2 325.456 3.676 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)[nH+]c12 ZINC000671757241 1128236000 /nfs/dbraw/zinc/23/60/00/1128236000.db2.gz DZXHHFWIYDCAQY-QXAKKESOSA-N 1 2 339.483 3.908 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067103 1128282001 /nfs/dbraw/zinc/28/20/01/1128282001.db2.gz UKFTYJVDFZZORF-YWZLYKJASA-N 1 2 326.440 3.848 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067103 1128282002 /nfs/dbraw/zinc/28/20/02/1128282002.db2.gz UKFTYJVDFZZORF-YWZLYKJASA-N 1 2 326.440 3.848 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069265409 1128285036 /nfs/dbraw/zinc/28/50/36/1128285036.db2.gz LDQGWUITUMFDOJ-WMZOPIPTSA-N 1 2 346.519 3.666 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000072979112 1128312160 /nfs/dbraw/zinc/31/21/60/1128312160.db2.gz YEWVDPKAMFUSLS-UTKZUKDTSA-N 1 2 339.483 3.846 20 0 EHADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000072997840 1128312694 /nfs/dbraw/zinc/31/26/94/1128312694.db2.gz HPGDHBVZRPLDDZ-CQSZACIVSA-N 1 2 339.370 3.692 20 0 EHADLO COCCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000073016150 1128313190 /nfs/dbraw/zinc/31/31/90/1128313190.db2.gz DMPZJTUDLPPDKE-OAHLLOKOSA-N 1 2 346.500 3.553 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000073119829 1128316980 /nfs/dbraw/zinc/31/69/80/1128316980.db2.gz GDQYEHXHNZIZJF-SFHVURJKSA-N 1 2 339.826 3.637 20 0 EHADLO COC1CCC(Nc2c(Br)c[nH+]c3ccccc32)CC1 ZINC001168608064 1128350202 /nfs/dbraw/zinc/35/02/02/1128350202.db2.gz CJSDCNUUODDPJY-UHFFFAOYSA-N 1 2 335.245 3.789 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3c(F)cccc3Cl)[nH+]c12 ZINC000624532907 1128388200 /nfs/dbraw/zinc/38/82/00/1128388200.db2.gz YASDCWYQTMOCIN-UHFFFAOYSA-N 1 2 345.805 3.636 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000127296547 1128399859 /nfs/dbraw/zinc/39/98/59/1128399859.db2.gz UBSLUTTVBKUWEH-BEFAXECRSA-N 1 2 338.455 3.877 20 0 EHADLO OC[C@]12CCC[C@H]1CN(c1[nH+]ccc3cc(C(F)(F)F)ccc31)C2 ZINC000624670826 1128424639 /nfs/dbraw/zinc/42/46/39/1128424639.db2.gz ULPVVBKZRRJPHJ-WMLDXEAASA-N 1 2 336.357 3.852 20 0 EHADLO CC(C)O[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000765814240 1128431990 /nfs/dbraw/zinc/43/19/90/1128431990.db2.gz XAXHKWRCUQBJRV-RBUKOAKNSA-N 1 2 332.488 3.652 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cncnc3C3CC3)cc2)[nH+]c1C ZINC000921653284 1128436108 /nfs/dbraw/zinc/43/61/08/1128436108.db2.gz ADOURNHDMFSAKW-UHFFFAOYSA-N 1 2 333.395 3.613 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCC(=O)[C@H]3C)cc2)[nH+]c1C ZINC000921658327 1128438590 /nfs/dbraw/zinc/43/85/90/1128438590.db2.gz RGMYPRXGMCDHEC-NHYWBVRUSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CSCCS3)cc2)[nH+]c1C ZINC000921660096 1128440019 /nfs/dbraw/zinc/44/00/19/1128440019.db2.gz MGPRERGJTNHNFK-OAHLLOKOSA-N 1 2 347.509 3.871 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1cccc3c1OCCCO3)CC2 ZINC000347627704 1128447870 /nfs/dbraw/zinc/44/78/70/1128447870.db2.gz GRRVHSXRJRYWMI-UHFFFAOYSA-N 1 2 343.398 3.554 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1cccc3c1OCCCO3)CC2 ZINC000347627704 1128447872 /nfs/dbraw/zinc/44/78/72/1128447872.db2.gz GRRVHSXRJRYWMI-UHFFFAOYSA-N 1 2 343.398 3.554 20 0 EHADLO COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224989 1128470545 /nfs/dbraw/zinc/47/05/45/1128470545.db2.gz ZBGSNRQNKPUXDE-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347652156 1128517426 /nfs/dbraw/zinc/51/74/26/1128517426.db2.gz QJHUYNLJOYTRFC-OAHLLOKOSA-N 1 2 339.361 3.502 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347652156 1128517427 /nfs/dbraw/zinc/51/74/27/1128517427.db2.gz QJHUYNLJOYTRFC-OAHLLOKOSA-N 1 2 339.361 3.502 20 0 EHADLO C[NH+](C)[C@H](CN[C@@H](c1ccccc1)c1cncnc1)c1ccsc1 ZINC000542674948 1128523044 /nfs/dbraw/zinc/52/30/44/1128523044.db2.gz YDMKKLMJOAKZOO-MOPGFXCFSA-N 1 2 338.480 3.520 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000542702371 1128548559 /nfs/dbraw/zinc/54/85/59/1128548559.db2.gz YYNIGPNDVHVYSK-WCQYABFASA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000542702371 1128548560 /nfs/dbraw/zinc/54/85/60/1128548560.db2.gz YYNIGPNDVHVYSK-WCQYABFASA-N 1 2 335.341 3.766 20 0 EHADLO O=C(c1ccco1)N1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000505853767 1128592400 /nfs/dbraw/zinc/59/24/00/1128592400.db2.gz UAEFUDMVOAAALM-UHFFFAOYSA-N 1 2 346.430 3.905 20 0 EHADLO c1ccc(C[N@@H+](Cc2noc3c2CCCC3)C[C@H]2CCCO2)cc1 ZINC000108856599 1128669225 /nfs/dbraw/zinc/66/92/25/1128669225.db2.gz STCSPACGNFTXOP-QGZVFWFLSA-N 1 2 326.440 3.735 20 0 EHADLO c1ccc(C[N@H+](Cc2noc3c2CCCC3)C[C@H]2CCCO2)cc1 ZINC000108856599 1128669227 /nfs/dbraw/zinc/66/92/27/1128669227.db2.gz STCSPACGNFTXOP-QGZVFWFLSA-N 1 2 326.440 3.735 20 0 EHADLO Cc1cccc([C@H](NC(=O)Nc2cc(C)[nH+]cc2C)C(F)(F)F)c1 ZINC000542837277 1128679093 /nfs/dbraw/zinc/67/90/93/1128679093.db2.gz JPATUNNTXZPHGD-HNNXBMFYSA-N 1 2 337.345 3.854 20 0 EHADLO C[C@H]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000542850143 1128690198 /nfs/dbraw/zinc/69/01/98/1128690198.db2.gz IBMBKAHOVOEEIZ-OXJNMPFZSA-N 1 2 338.455 3.594 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(O)c2ccccc2c1 ZINC000354284363 1128723462 /nfs/dbraw/zinc/72/34/62/1128723462.db2.gz RIXBPJGGSIQECE-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CC[NH2+]Cc1noc(C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)n1 ZINC000843141130 1128777648 /nfs/dbraw/zinc/77/76/48/1128777648.db2.gz JINXHSSYJSUOPQ-MPLXBHQASA-N 1 2 329.366 3.579 20 0 EHADLO CC(C)(CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)Cc1ccc(Cl)cc1 ZINC000672146763 1128799092 /nfs/dbraw/zinc/79/90/92/1128799092.db2.gz TWAMZBCYODTYDO-MRXNPFEDSA-N 1 2 345.874 3.627 20 0 EHADLO CCC[C@H](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000110878119 1128814516 /nfs/dbraw/zinc/81/45/16/1128814516.db2.gz YRRSTNBIBPVOQC-OALUTQOASA-N 1 2 346.515 3.562 20 0 EHADLO Cc1ccnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1Br ZINC000672243899 1128877464 /nfs/dbraw/zinc/87/74/64/1128877464.db2.gz UKEXEXMAAUIRKY-CQSZACIVSA-N 1 2 332.245 3.751 20 0 EHADLO Cc1ccnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1Br ZINC000672243899 1128877470 /nfs/dbraw/zinc/87/74/70/1128877470.db2.gz UKEXEXMAAUIRKY-CQSZACIVSA-N 1 2 332.245 3.751 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1)C(C)C ZINC000338758490 1128882759 /nfs/dbraw/zinc/88/27/59/1128882759.db2.gz YOBJMSVMNBMDHI-UHFFFAOYSA-N 1 2 340.471 3.664 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cs1 ZINC000111406943 1120019025 /nfs/dbraw/zinc/01/90/25/1120019025.db2.gz ZVEDYBILIZTUBP-LBPRGKRZSA-N 1 2 330.432 3.881 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@]2(O)CCCC(C)(C)CC2)c(C)[nH+]1 ZINC001670648318 1120095435 /nfs/dbraw/zinc/09/54/35/1120095435.db2.gz FNJPGPJDZIOSMM-LJQANCHMSA-N 1 2 333.476 3.850 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(CC)cc1)CC2 ZINC000109425541 1120111260 /nfs/dbraw/zinc/11/12/60/1120111260.db2.gz OACKCYZWZQSJNI-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(CC)cc1)CC2 ZINC000109425541 1120111262 /nfs/dbraw/zinc/11/12/62/1120111262.db2.gz OACKCYZWZQSJNI-UHFFFAOYSA-N 1 2 338.451 3.645 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c(C)o1 ZINC000660481278 1128895152 /nfs/dbraw/zinc/89/51/52/1128895152.db2.gz LTDQOVJDXMVPFZ-ZDUSSCGKSA-N 1 2 337.217 3.667 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000376131408 1120205341 /nfs/dbraw/zinc/20/53/41/1120205341.db2.gz OYLSSDOYJNVFDZ-IRXDYDNUSA-N 1 2 349.837 3.545 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000376131408 1120205345 /nfs/dbraw/zinc/20/53/45/1120205345.db2.gz OYLSSDOYJNVFDZ-IRXDYDNUSA-N 1 2 349.837 3.545 20 0 EHADLO CCO[C@H](CCNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000177359365 1120310255 /nfs/dbraw/zinc/31/02/55/1120310255.db2.gz WPXPANWBVIPIPB-LJQANCHMSA-N 1 2 341.455 3.588 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000355249004 1128907800 /nfs/dbraw/zinc/90/78/00/1128907800.db2.gz AVFHSVGBSIIFBY-UHFFFAOYSA-N 1 2 347.462 3.528 20 0 EHADLO CCCC1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001687424331 1120335997 /nfs/dbraw/zinc/33/59/97/1120335997.db2.gz UBBYCCXVUSEDJR-IBGZPJMESA-N 1 2 340.471 3.846 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)CC(C)C)CC2)c1 ZINC000184526872 1120378853 /nfs/dbraw/zinc/37/88/53/1120378853.db2.gz CYXRXWORETXJTK-DLBZAZTESA-N 1 2 332.488 3.583 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184578313 1120380383 /nfs/dbraw/zinc/38/03/83/1120380383.db2.gz KPHANCVNNJXUAN-IFXJQAMLSA-N 1 2 346.425 3.585 20 0 EHADLO COCC1=CC[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000185888319 1120433405 /nfs/dbraw/zinc/43/34/05/1120433405.db2.gz LNEBMSPDZMLSDV-UHFFFAOYSA-N 1 2 327.428 3.639 20 0 EHADLO COCC1=CC[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000185888319 1120433409 /nfs/dbraw/zinc/43/34/09/1120433409.db2.gz LNEBMSPDZMLSDV-UHFFFAOYSA-N 1 2 327.428 3.639 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)CCCC(=O)OC(C)(C)C)n2)c1 ZINC000076416014 1128919276 /nfs/dbraw/zinc/91/92/76/1128919276.db2.gz SECBVUWIDQOYSU-UHFFFAOYSA-N 1 2 345.443 3.599 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)n2)c1 ZINC000076416014 1128919277 /nfs/dbraw/zinc/91/92/77/1128919277.db2.gz SECBVUWIDQOYSU-UHFFFAOYSA-N 1 2 345.443 3.599 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[S@@]1=O ZINC000187561020 1120503332 /nfs/dbraw/zinc/50/33/32/1120503332.db2.gz CKOOYLZJCKIZSL-DEOSSOPVSA-N 1 2 345.512 3.508 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[S@@]1=O ZINC000187561020 1120503335 /nfs/dbraw/zinc/50/33/35/1120503335.db2.gz CKOOYLZJCKIZSL-DEOSSOPVSA-N 1 2 345.512 3.508 20 0 EHADLO COCC1=CC[N@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC000187619390 1120504972 /nfs/dbraw/zinc/50/49/72/1120504972.db2.gz ZPFLBJSLBWOFKV-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO COCC1=CC[N@@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC000187619390 1120504975 /nfs/dbraw/zinc/50/49/75/1120504975.db2.gz ZPFLBJSLBWOFKV-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000494232511 1120510682 /nfs/dbraw/zinc/51/06/82/1120510682.db2.gz AWMSHKINYBVREX-MRXNPFEDSA-N 1 2 344.503 3.840 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cs1 ZINC000609194291 1120543498 /nfs/dbraw/zinc/54/34/98/1120543498.db2.gz ORNNENUGJNRFMQ-UHFFFAOYSA-N 1 2 334.416 3.628 20 0 EHADLO C[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000190444070 1120637741 /nfs/dbraw/zinc/63/77/41/1120637741.db2.gz ROFFYVMKCARQJD-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000190444070 1120637743 /nfs/dbraw/zinc/63/77/43/1120637743.db2.gz ROFFYVMKCARQJD-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000191673835 1120685787 /nfs/dbraw/zinc/68/57/87/1120685787.db2.gz QKRBBTKCNCYSTH-KBMXLJTQSA-N 1 2 334.485 3.574 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000191673835 1120685791 /nfs/dbraw/zinc/68/57/91/1120685791.db2.gz QKRBBTKCNCYSTH-KBMXLJTQSA-N 1 2 334.485 3.574 20 0 EHADLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)n1 ZINC000191899388 1120701559 /nfs/dbraw/zinc/70/15/59/1120701559.db2.gz AZEIRNVKPBFGKI-UHFFFAOYSA-N 1 2 348.859 3.807 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)c1cn[nH]c1 ZINC000494633066 1120708499 /nfs/dbraw/zinc/70/84/99/1120708499.db2.gz TZVJSZLIXUIMHH-SNVBAGLBSA-N 1 2 347.216 3.678 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000494701969 1120726076 /nfs/dbraw/zinc/72/60/76/1120726076.db2.gz IDCFMHIYRLVROJ-HNNXBMFYSA-N 1 2 332.400 3.674 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1CCC(F)(F)CC1 ZINC000192250234 1120727828 /nfs/dbraw/zinc/72/78/28/1120727828.db2.gz MDCZNCYOXHJRIE-UHFFFAOYSA-N 1 2 327.419 3.510 20 0 EHADLO COc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1C ZINC000761656624 1120739108 /nfs/dbraw/zinc/73/91/08/1120739108.db2.gz HGNJLTFQWZGNFV-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO S=c1n(C[NH+]2CCc3ccccc3CC2)nc(C2CC2)n1C1CC1 ZINC000153174138 1120764611 /nfs/dbraw/zinc/76/46/11/1120764611.db2.gz XSAGKVGLOYXLHW-UHFFFAOYSA-N 1 2 340.496 3.685 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000194336662 1120836369 /nfs/dbraw/zinc/83/63/69/1120836369.db2.gz BLSXXBIBVDOFMQ-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000194336662 1120836372 /nfs/dbraw/zinc/83/63/72/1120836372.db2.gz BLSXXBIBVDOFMQ-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cnc(-c3ccco3)s2)CCN1CC(F)F ZINC000194419980 1120842775 /nfs/dbraw/zinc/84/27/75/1120842775.db2.gz CYFDIFONMNTNQF-LBPRGKRZSA-N 1 2 341.427 3.564 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cnc(-c3ccco3)s2)CCN1CC(F)F ZINC000194419980 1120842780 /nfs/dbraw/zinc/84/27/80/1120842780.db2.gz CYFDIFONMNTNQF-LBPRGKRZSA-N 1 2 341.427 3.564 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Br)cs1 ZINC000194915635 1120870606 /nfs/dbraw/zinc/87/06/06/1120870606.db2.gz BIGBEPYTFKMJCX-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)[C@H]1C ZINC000542517158 1120880269 /nfs/dbraw/zinc/88/02/69/1120880269.db2.gz NVFRVULKFUEQIZ-BDAKNGLRSA-N 1 2 348.082 3.837 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)[C@H]1C ZINC000542517158 1120880271 /nfs/dbraw/zinc/88/02/71/1120880271.db2.gz NVFRVULKFUEQIZ-BDAKNGLRSA-N 1 2 348.082 3.837 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2cc(Cl)cs2)CC1 ZINC000494963091 1120916125 /nfs/dbraw/zinc/91/61/25/1120916125.db2.gz XDZAOYPTVCQEIS-UHFFFAOYSA-N 1 2 336.888 3.728 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000153294608 1120942269 /nfs/dbraw/zinc/94/22/69/1120942269.db2.gz PPOZMOLQPOLQCN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000153294608 1120942273 /nfs/dbraw/zinc/94/22/73/1120942273.db2.gz PPOZMOLQPOLQCN-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)cs2)o1 ZINC000495087244 1120950308 /nfs/dbraw/zinc/95/03/08/1120950308.db2.gz SJDGCPMQWJEFCN-CYBMUJFWSA-N 1 2 348.468 3.875 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)cs2)o1 ZINC000495087244 1120950309 /nfs/dbraw/zinc/95/03/09/1120950309.db2.gz SJDGCPMQWJEFCN-CYBMUJFWSA-N 1 2 348.468 3.875 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)CC1 ZINC000153314457 1120956545 /nfs/dbraw/zinc/95/65/45/1120956545.db2.gz STZBHQCEDNSTKT-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)CC1 ZINC000153314457 1120956549 /nfs/dbraw/zinc/95/65/49/1120956549.db2.gz STZBHQCEDNSTKT-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO Cc1cccc(C2(Nc3cc[nH+]c(OCc4ccccn4)c3)COC2)c1 ZINC001168478368 1120970896 /nfs/dbraw/zinc/97/08/96/1120970896.db2.gz NWGYDPWOJLXRRQ-UHFFFAOYSA-N 1 2 347.418 3.702 20 0 EHADLO Clc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000914790466 1120988718 /nfs/dbraw/zinc/98/87/18/1120988718.db2.gz XMIJXRUJIAGWDW-AWEZNQCLSA-N 1 2 333.819 3.644 20 0 EHADLO Clc1ccc(OC[C@@H]2CCC[N@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000914790466 1120988720 /nfs/dbraw/zinc/98/87/20/1120988720.db2.gz XMIJXRUJIAGWDW-AWEZNQCLSA-N 1 2 333.819 3.644 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCOc3ccccc3C2)c1 ZINC000076848988 1128956723 /nfs/dbraw/zinc/95/67/23/1128956723.db2.gz YFCFCKQTVITVQI-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000076848988 1128956727 /nfs/dbraw/zinc/95/67/27/1128956727.db2.gz YFCFCKQTVITVQI-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC000495271744 1121031636 /nfs/dbraw/zinc/03/16/36/1121031636.db2.gz UUTHCMOKPWJCIX-LLVKDONJSA-N 1 2 332.404 3.576 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)c1 ZINC000302758037 1121100650 /nfs/dbraw/zinc/10/06/50/1121100650.db2.gz SABZVQRYGXHLFX-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO C[C@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000232399239 1121112306 /nfs/dbraw/zinc/11/23/06/1121112306.db2.gz GEDKJLSRIZTMHK-ZJUUUORDSA-N 1 2 331.243 3.663 20 0 EHADLO C[C@@H](Nc1cccc(CN2CCOCC2)[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156275 1121116063 /nfs/dbraw/zinc/11/60/63/1121116063.db2.gz PAMYDRGNRXCONI-UXPWSPDFSA-N 1 2 337.467 3.518 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(-c2ccccc2F)c1=S ZINC000762138858 1121126299 /nfs/dbraw/zinc/12/62/99/1121126299.db2.gz NIYALTIKHGPGBD-CYBMUJFWSA-N 1 2 332.448 3.764 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ncn(-c2ccccc2F)c1=S ZINC000762138858 1121126302 /nfs/dbraw/zinc/12/63/02/1121126302.db2.gz NIYALTIKHGPGBD-CYBMUJFWSA-N 1 2 332.448 3.764 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C3CC3)C3CCCC3)c2=S)cc1C ZINC000915208950 1121253251 /nfs/dbraw/zinc/25/32/51/1121253251.db2.gz SJEABLXZCQKTFF-UHFFFAOYSA-N 1 2 343.500 3.780 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C3CC3)C3CCCC3)c2=S)cc1C ZINC000915208950 1121253254 /nfs/dbraw/zinc/25/32/54/1121253254.db2.gz SJEABLXZCQKTFF-UHFFFAOYSA-N 1 2 343.500 3.780 20 0 EHADLO CSCc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)o1 ZINC000915209635 1121253435 /nfs/dbraw/zinc/25/34/35/1121253435.db2.gz LUKLXDYQVORTRO-RWMBFGLXSA-N 1 2 327.519 3.927 20 0 EHADLO CSCc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)o1 ZINC000915209635 1121253441 /nfs/dbraw/zinc/25/34/41/1121253441.db2.gz LUKLXDYQVORTRO-RWMBFGLXSA-N 1 2 327.519 3.927 20 0 EHADLO C[N@H+](Cc1ccns1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637945802 1121294079 /nfs/dbraw/zinc/29/40/79/1121294079.db2.gz VHLFDQJZPIHFIB-KGLIPLIRSA-N 1 2 329.252 3.540 20 0 EHADLO C[N@@H+](Cc1ccns1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637945802 1121294083 /nfs/dbraw/zinc/29/40/83/1121294083.db2.gz VHLFDQJZPIHFIB-KGLIPLIRSA-N 1 2 329.252 3.540 20 0 EHADLO CSc1cc(C[NH2+]Cc2nc(C)c(Br)s2)ccn1 ZINC000921960631 1128976001 /nfs/dbraw/zinc/97/60/01/1128976001.db2.gz OWGPWHRVLWVTCX-UHFFFAOYSA-N 1 2 344.303 3.621 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)cn1 ZINC000234917635 1121367884 /nfs/dbraw/zinc/36/78/84/1121367884.db2.gz FGFDPBNUOVRQKB-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000762633360 1121389753 /nfs/dbraw/zinc/38/97/53/1121389753.db2.gz OGRLBAUJQWTBHO-UHFFFAOYSA-N 1 2 335.407 3.537 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000762633360 1121389761 /nfs/dbraw/zinc/38/97/61/1121389761.db2.gz OGRLBAUJQWTBHO-UHFFFAOYSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000762634724 1121392719 /nfs/dbraw/zinc/39/27/19/1121392719.db2.gz QTUDZXNUXUBWGP-LBPRGKRZSA-N 1 2 328.803 3.944 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127365620 1121402984 /nfs/dbraw/zinc/40/29/84/1121402984.db2.gz LNTJNVCGSKNUIQ-AWEZNQCLSA-N 1 2 327.428 3.886 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127365621 1121403969 /nfs/dbraw/zinc/40/39/69/1121403969.db2.gz LNTJNVCGSKNUIQ-CQSZACIVSA-N 1 2 327.428 3.886 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3)no2)cn1 ZINC000542573200 1121506688 /nfs/dbraw/zinc/50/66/88/1121506688.db2.gz FGXYSYUVMVCTAP-UONOGXRCSA-N 1 2 325.416 3.926 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1CNc1c[nH+]ccc1OC ZINC001168497737 1121589639 /nfs/dbraw/zinc/58/96/39/1121589639.db2.gz XRRILHDDLYCXSI-UHFFFAOYSA-N 1 2 328.290 3.610 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001168498943 1121629989 /nfs/dbraw/zinc/62/99/89/1121629989.db2.gz ACAVJXVVRJDWFX-WMLDXEAASA-N 1 2 326.406 3.562 20 0 EHADLO C[N@H+](CCCCc1ccccc1)Cn1c(=O)scc1C(F)(F)F ZINC000749939945 1121639775 /nfs/dbraw/zinc/63/97/75/1121639775.db2.gz WPBOCGDVNHAJRA-UHFFFAOYSA-N 1 2 344.402 3.841 20 0 EHADLO C[N@@H+](CCCCc1ccccc1)Cn1c(=O)scc1C(F)(F)F ZINC000749939945 1121639778 /nfs/dbraw/zinc/63/97/78/1121639778.db2.gz WPBOCGDVNHAJRA-UHFFFAOYSA-N 1 2 344.402 3.841 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)NCc2c[nH+]cn2C)c1C ZINC000356759212 1129002782 /nfs/dbraw/zinc/00/27/82/1129002782.db2.gz CTMJJOKNQDYHNW-UHFFFAOYSA-N 1 2 334.423 3.711 20 0 EHADLO CC[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060893954 1121706982 /nfs/dbraw/zinc/70/69/82/1121706982.db2.gz NKBBBGFLFBJBQB-WFASDCNBSA-N 1 2 341.858 3.714 20 0 EHADLO CCCCOc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000054469440 1121762650 /nfs/dbraw/zinc/76/26/50/1121762650.db2.gz ZUEOMUFGTSOMRJ-UHFFFAOYSA-N 1 2 330.432 3.664 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000055697086 1121857750 /nfs/dbraw/zinc/85/77/50/1121857750.db2.gz KPVRXDNAZMFTIB-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444127141 1121867992 /nfs/dbraw/zinc/86/79/92/1121867992.db2.gz UXFNQQAWTXODPO-PMPSAXMXSA-N 1 2 332.492 3.524 20 0 EHADLO CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000055919509 1121896593 /nfs/dbraw/zinc/89/65/93/1121896593.db2.gz FINPZFZHSUCCSZ-UHFFFAOYSA-N 1 2 339.370 3.722 20 0 EHADLO Cc1ccc(-c2n[nH]cc2CNc2ccc(N3CCCCC3)[nH+]c2)o1 ZINC000326595802 1121970204 /nfs/dbraw/zinc/97/02/04/1121970204.db2.gz HJHXFWJRNRHZAT-UHFFFAOYSA-N 1 2 337.427 3.976 20 0 EHADLO Cn1c(C[NH2+]Cc2nccc3c2CCCC3)nc2cccc(Cl)c21 ZINC000922011098 1129023055 /nfs/dbraw/zinc/02/30/55/1129023055.db2.gz JLSVYTVOPHXKKW-UHFFFAOYSA-N 1 2 340.858 3.790 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000672622482 1129028502 /nfs/dbraw/zinc/02/85/02/1129028502.db2.gz YZJMMDUHFMWFSW-CJNGLKHVSA-N 1 2 335.398 3.838 20 0 EHADLO Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1N(C)C ZINC000916380680 1122138291 /nfs/dbraw/zinc/13/82/91/1122138291.db2.gz JZHVDQXZDHXWKO-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO COC(=O)Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000496888220 1122199918 /nfs/dbraw/zinc/19/99/18/1122199918.db2.gz ZJJHQMOVBJDASA-UHFFFAOYSA-N 1 2 336.395 3.971 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)Cc2ccccc21 ZINC000916568372 1122204113 /nfs/dbraw/zinc/20/41/13/1122204113.db2.gz TUOHCMHUHOVNCG-ZDUSSCGKSA-N 1 2 346.377 3.846 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)Cc2ccccc21 ZINC000916568372 1122204118 /nfs/dbraw/zinc/20/41/18/1122204118.db2.gz TUOHCMHUHOVNCG-ZDUSSCGKSA-N 1 2 346.377 3.846 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1Cc2ccccc2C1 ZINC000763379436 1122214532 /nfs/dbraw/zinc/21/45/32/1122214532.db2.gz HNPQUVLDADLZRK-UHFFFAOYSA-N 1 2 332.403 3.639 20 0 EHADLO CC[C@H](CSc1ccccc1)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127413715 1122230108 /nfs/dbraw/zinc/23/01/08/1122230108.db2.gz PHGJRJIPUZIQTK-MRXNPFEDSA-N 1 2 339.464 3.943 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000126713137 1122420589 /nfs/dbraw/zinc/42/05/89/1122420589.db2.gz RIMGCYXJAWMBSG-UHFFFAOYSA-N 1 2 329.831 3.655 20 0 EHADLO C[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000127444721 1122484665 /nfs/dbraw/zinc/48/46/65/1122484665.db2.gz NWRQMNSMYZNYQU-JTQLQIEISA-N 1 2 345.752 3.621 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000499595270 1129060641 /nfs/dbraw/zinc/06/06/41/1129060641.db2.gz VUOIDSGWPDVFHY-KSSFIOAISA-N 1 2 347.480 3.781 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000499595270 1129060645 /nfs/dbraw/zinc/06/06/45/1129060645.db2.gz VUOIDSGWPDVFHY-KSSFIOAISA-N 1 2 347.480 3.781 20 0 EHADLO C/C=C\c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000497424579 1122548043 /nfs/dbraw/zinc/54/80/43/1122548043.db2.gz CRNGUQJOMGCWEG-DJWKRKHSSA-N 1 2 336.439 3.905 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000497471389 1122559420 /nfs/dbraw/zinc/55/94/20/1122559420.db2.gz IBYSVTZRRHVFCK-NRFANRHFSA-N 1 2 348.446 3.812 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccoc1 ZINC000497471389 1122559424 /nfs/dbraw/zinc/55/94/24/1122559424.db2.gz IBYSVTZRRHVFCK-NRFANRHFSA-N 1 2 348.446 3.812 20 0 EHADLO CC(C)[N@H+](CC1CC1)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430417 1122606251 /nfs/dbraw/zinc/60/62/51/1122606251.db2.gz KEJTUNPIXNBIQO-UHFFFAOYSA-N 1 2 348.446 3.961 20 0 EHADLO CC(C)[N@@H+](CC1CC1)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430417 1122606254 /nfs/dbraw/zinc/60/62/54/1122606254.db2.gz KEJTUNPIXNBIQO-UHFFFAOYSA-N 1 2 348.446 3.961 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000917487914 1122618508 /nfs/dbraw/zinc/61/85/08/1122618508.db2.gz VZIJQNIYKPQECD-QGZVFWFLSA-N 1 2 344.430 3.630 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000917487914 1122618510 /nfs/dbraw/zinc/61/85/10/1122618510.db2.gz VZIJQNIYKPQECD-QGZVFWFLSA-N 1 2 344.430 3.630 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000171813148 1122689227 /nfs/dbraw/zinc/68/92/27/1122689227.db2.gz VTJLFBKRZWJTQR-UHFFFAOYSA-N 1 2 333.439 3.511 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000171813148 1122689229 /nfs/dbraw/zinc/68/92/29/1122689229.db2.gz VTJLFBKRZWJTQR-UHFFFAOYSA-N 1 2 333.439 3.511 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(N(C)C)cc1 ZINC000917937483 1122713660 /nfs/dbraw/zinc/71/36/60/1122713660.db2.gz CETSXZZUWHUTEZ-STQMWFEESA-N 1 2 347.409 3.709 20 0 EHADLO CC(C)[C@@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000498116515 1122772203 /nfs/dbraw/zinc/77/22/03/1122772203.db2.gz YSVCPZGCEFAXSH-OAHLLOKOSA-N 1 2 339.443 3.554 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183478 1122773078 /nfs/dbraw/zinc/77/30/78/1122773078.db2.gz DQPLRLKJMCYRHA-ZDUSSCGKSA-N 1 2 345.830 3.717 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CCCCC34CCCC4)[nH]2)cc1 ZINC000556178443 1122861327 /nfs/dbraw/zinc/86/13/27/1122861327.db2.gz CNZBVDITSINNNG-QGZVFWFLSA-N 1 2 340.471 3.976 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)n1 ZINC000918663621 1122878527 /nfs/dbraw/zinc/87/85/27/1122878527.db2.gz UQHRGWOBVKLIGI-UHFFFAOYSA-N 1 2 330.750 3.621 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(F)cc1 ZINC000498349882 1122880204 /nfs/dbraw/zinc/88/02/04/1122880204.db2.gz LYQQRLDAYZEVEA-BLLLJJGKSA-N 1 2 334.460 3.884 20 0 EHADLO CC1(c2ccccc2)CC([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000556257881 1122902291 /nfs/dbraw/zinc/90/22/91/1122902291.db2.gz QCECXLDGDDUQCX-SYYJFZTOSA-N 1 2 336.414 3.743 20 0 EHADLO CC1(c2ccccc2)CC([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000556257881 1122902296 /nfs/dbraw/zinc/90/22/96/1122902296.db2.gz QCECXLDGDDUQCX-SYYJFZTOSA-N 1 2 336.414 3.743 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000918740183 1122902971 /nfs/dbraw/zinc/90/29/71/1122902971.db2.gz HTPWXEGYUYQIDD-QGZVFWFLSA-N 1 2 347.890 3.894 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000918740183 1122902972 /nfs/dbraw/zinc/90/29/72/1122902972.db2.gz HTPWXEGYUYQIDD-QGZVFWFLSA-N 1 2 347.890 3.894 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000130290249 1122927414 /nfs/dbraw/zinc/92/74/14/1122927414.db2.gz MTLSJMBNVMXTBK-UHFFFAOYSA-N 1 2 348.796 3.830 20 0 EHADLO Cc1c(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1[C@H]1CCOC1 ZINC000556444621 1122977932 /nfs/dbraw/zinc/97/79/32/1122977932.db2.gz OVOZMDVCWSDTPU-KDOFPFPSSA-N 1 2 337.427 3.512 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000131017861 1123031098 /nfs/dbraw/zinc/03/10/98/1123031098.db2.gz URRDBOVZDKYBBK-INIZCTEOSA-N 1 2 348.830 3.855 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000131017861 1123031101 /nfs/dbraw/zinc/03/11/01/1123031101.db2.gz URRDBOVZDKYBBK-INIZCTEOSA-N 1 2 348.830 3.855 20 0 EHADLO CC[N@H+](CC(=O)N1CC[C@H](c2ccco2)C1)Cc1ccccc1Cl ZINC000672882210 1129097584 /nfs/dbraw/zinc/09/75/84/1129097584.db2.gz HIUXKDJOXGADTK-INIZCTEOSA-N 1 2 346.858 3.771 20 0 EHADLO CC[N@@H+](CC(=O)N1CC[C@H](c2ccco2)C1)Cc1ccccc1Cl ZINC000672882210 1129097590 /nfs/dbraw/zinc/09/75/90/1129097590.db2.gz HIUXKDJOXGADTK-INIZCTEOSA-N 1 2 346.858 3.771 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000556804861 1123126628 /nfs/dbraw/zinc/12/66/28/1123126628.db2.gz UZJGVUHHNFKYFM-CYBMUJFWSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000556804861 1123126630 /nfs/dbraw/zinc/12/66/30/1123126630.db2.gz UZJGVUHHNFKYFM-CYBMUJFWSA-N 1 2 325.334 3.819 20 0 EHADLO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1nccs1 ZINC000072683350 1123142342 /nfs/dbraw/zinc/14/23/42/1123142342.db2.gz FSUBDQBMQZQWGA-OAHLLOKOSA-N 1 2 341.839 3.789 20 0 EHADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000556884166 1123165253 /nfs/dbraw/zinc/16/52/53/1123165253.db2.gz FDOKKIHGXPQHRF-KCQAQPDRSA-N 1 2 337.876 3.632 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)[NH+]1CCSCC1 ZINC000132059459 1123198702 /nfs/dbraw/zinc/19/87/02/1123198702.db2.gz DPSDIYIENNUOHT-OAHLLOKOSA-N 1 2 341.480 3.806 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000919946597 1123241920 /nfs/dbraw/zinc/24/19/20/1123241920.db2.gz DQCQQQQGFNDQEB-ZDUSSCGKSA-N 1 2 339.892 3.821 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000919946597 1123241922 /nfs/dbraw/zinc/24/19/22/1123241922.db2.gz DQCQQQQGFNDQEB-ZDUSSCGKSA-N 1 2 339.892 3.821 20 0 EHADLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000155139228 1123246644 /nfs/dbraw/zinc/24/66/44/1123246644.db2.gz SEGPQQMVRLBXGI-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000155139228 1123246647 /nfs/dbraw/zinc/24/66/47/1123246647.db2.gz SEGPQQMVRLBXGI-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccsc2C1 ZINC000132747492 1123295584 /nfs/dbraw/zinc/29/55/84/1123295584.db2.gz RLNNZSSNMNXIGS-LLVKDONJSA-N 1 2 343.477 3.743 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccsc2C1 ZINC000132747492 1123295588 /nfs/dbraw/zinc/29/55/88/1123295588.db2.gz RLNNZSSNMNXIGS-LLVKDONJSA-N 1 2 343.477 3.743 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3COc4ccccc4C3)c2)[nH+]c1C ZINC000920270427 1123348283 /nfs/dbraw/zinc/34/82/83/1123348283.db2.gz QYXUQWRQYDTLSZ-KRWDZBQOSA-N 1 2 347.418 3.883 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3ccncc3Cl)CC2)cc1 ZINC000075595961 1123405276 /nfs/dbraw/zinc/40/52/76/1123405276.db2.gz VMOBIJUNWJLDRS-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000920766982 1123421775 /nfs/dbraw/zinc/42/17/75/1123421775.db2.gz AWAJQMCVPDELSF-MSOLQXFVSA-N 1 2 325.456 3.534 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccccc1Cl ZINC000920768632 1123422561 /nfs/dbraw/zinc/42/25/61/1123422561.db2.gz VFTNKHRIODPPRM-MRXNPFEDSA-N 1 2 333.863 3.700 20 0 EHADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000133774969 1123433929 /nfs/dbraw/zinc/43/39/29/1123433929.db2.gz RIZZWIVUYHTPJG-UHFFFAOYSA-N 1 2 331.847 3.716 20 0 EHADLO Cc1cc(C[N@H+]2CCOCC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000133774969 1123433933 /nfs/dbraw/zinc/43/39/33/1123433933.db2.gz RIZZWIVUYHTPJG-UHFFFAOYSA-N 1 2 331.847 3.716 20 0 EHADLO CC(C)N(CC1CC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000920938474 1123440585 /nfs/dbraw/zinc/44/05/85/1123440585.db2.gz KMPQQEIRMKPMNX-UHFFFAOYSA-N 1 2 336.505 3.781 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(NCCOC)sc2=S)CC1 ZINC000921047326 1123458834 /nfs/dbraw/zinc/45/88/34/1123458834.db2.gz ZFUWEXRQYNUYHM-UHFFFAOYSA-N 1 2 344.550 3.590 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(NCCOC)sc2=S)CC1 ZINC000921047326 1123458836 /nfs/dbraw/zinc/45/88/36/1123458836.db2.gz ZFUWEXRQYNUYHM-UHFFFAOYSA-N 1 2 344.550 3.590 20 0 EHADLO CC(C)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921200610 1123478445 /nfs/dbraw/zinc/47/84/45/1123478445.db2.gz DJXRGNDVYQNAMC-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000921283936 1123512318 /nfs/dbraw/zinc/51/23/18/1123512318.db2.gz GTEJNXODAUHXBD-QINSGFPZSA-N 1 2 335.382 3.731 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968573 1123555055 /nfs/dbraw/zinc/55/50/55/1123555055.db2.gz LVIGLOWUENURMM-JKSUJKDBSA-N 1 2 334.419 3.609 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968573 1123555056 /nfs/dbraw/zinc/55/50/56/1123555056.db2.gz LVIGLOWUENURMM-JKSUJKDBSA-N 1 2 334.419 3.609 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077776707 1123579775 /nfs/dbraw/zinc/57/97/75/1123579775.db2.gz JEMZAUMCIHXUMM-GOSISDBHSA-N 1 2 346.519 3.762 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(C2CC2)n1)c1ccccc1 ZINC000136503360 1123700796 /nfs/dbraw/zinc/70/07/96/1123700796.db2.gz MBBMVYWBDPCUNB-LRDDRELGSA-N 1 2 330.453 3.661 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC)nc1C ZINC000542623543 1123782927 /nfs/dbraw/zinc/78/29/27/1123782927.db2.gz XHDGNQLCFHFLQJ-CYBMUJFWSA-N 1 2 348.468 3.796 20 0 EHADLO Cc1coc(C)c1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670773186 1123859858 /nfs/dbraw/zinc/85/98/58/1123859858.db2.gz WMGCZLIZHDBLFU-GASCZTMLSA-N 1 2 342.439 3.758 20 0 EHADLO Cc1coc(C)c1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670773186 1123859863 /nfs/dbraw/zinc/85/98/63/1123859863.db2.gz WMGCZLIZHDBLFU-GASCZTMLSA-N 1 2 342.439 3.758 20 0 EHADLO O=C(Nc1cscc1Br)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000615735212 1123865799 /nfs/dbraw/zinc/86/57/99/1123865799.db2.gz YCNUEFMXROXLPD-ZDUSSCGKSA-N 1 2 343.290 3.856 20 0 EHADLO O=C(Nc1cscc1Br)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000615735212 1123865803 /nfs/dbraw/zinc/86/58/03/1123865803.db2.gz YCNUEFMXROXLPD-ZDUSSCGKSA-N 1 2 343.290 3.856 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245554211 1123872833 /nfs/dbraw/zinc/87/28/33/1123872833.db2.gz AMTHVVWYFRSZDR-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245554211 1123872837 /nfs/dbraw/zinc/87/28/37/1123872837.db2.gz AMTHVVWYFRSZDR-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938596 1123900140 /nfs/dbraw/zinc/90/01/40/1123900140.db2.gz PZSWOJGXWRBUQN-HIFRSBDPSA-N 1 2 338.879 3.562 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179938596 1123900144 /nfs/dbraw/zinc/90/01/44/1123900144.db2.gz PZSWOJGXWRBUQN-HIFRSBDPSA-N 1 2 338.879 3.562 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)C12CCC2 ZINC000179954842 1123908400 /nfs/dbraw/zinc/90/84/00/1123908400.db2.gz ZKMDGXKVQMCSCL-ATZDWAIDSA-N 1 2 330.472 3.671 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245717966 1123934674 /nfs/dbraw/zinc/93/46/74/1123934674.db2.gz ABDLIJPTEXOKFN-IAGOWNOFSA-N 1 2 337.467 3.660 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245717966 1123934679 /nfs/dbraw/zinc/93/46/79/1123934679.db2.gz ABDLIJPTEXOKFN-IAGOWNOFSA-N 1 2 337.467 3.660 20 0 EHADLO CCCC[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OC ZINC000245756064 1123946485 /nfs/dbraw/zinc/94/64/85/1123946485.db2.gz YLKLKGGMRUSJOF-QYZOEREBSA-N 1 2 333.472 3.784 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245852801 1123961435 /nfs/dbraw/zinc/96/14/35/1123961435.db2.gz BQQXYNOSXFSIDW-RKVPGOIHSA-N 1 2 345.874 3.825 20 0 EHADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328147 1123982144 /nfs/dbraw/zinc/98/21/44/1123982144.db2.gz HECCHLUEODFRAQ-GUDVDZBRSA-N 1 2 337.467 3.630 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000616456631 1124004493 /nfs/dbraw/zinc/00/44/93/1124004493.db2.gz HALKPHCCSASUHR-RTBURBONSA-N 1 2 339.483 3.771 20 0 EHADLO CC(C)COc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001212283493 1124007487 /nfs/dbraw/zinc/00/74/87/1124007487.db2.gz JQPXVHWDEVSDJV-UHFFFAOYSA-N 1 2 341.455 3.821 20 0 EHADLO Cc1ccc2ccnc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)c2c1 ZINC000616817200 1124040449 /nfs/dbraw/zinc/04/04/49/1124040449.db2.gz BFHYLHBGQOXRMW-IBGZPJMESA-N 1 2 346.434 3.541 20 0 EHADLO Cc1ccc2ccnc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)c2c1 ZINC000616817200 1124040454 /nfs/dbraw/zinc/04/04/54/1124040454.db2.gz BFHYLHBGQOXRMW-IBGZPJMESA-N 1 2 346.434 3.541 20 0 EHADLO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557847 /nfs/dbraw/zinc/55/78/47/1124557847.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 1 2 349.950 3.797 20 0 EHADLO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557855 /nfs/dbraw/zinc/55/78/55/1124557855.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 1 2 349.950 3.797 20 0 EHADLO CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043601 1124636440 /nfs/dbraw/zinc/63/64/40/1124636440.db2.gz UKBRVKOQKHEFGH-FHWLQOOXSA-N 1 2 349.588 3.841 20 0 EHADLO CCCCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763489874 1124671159 /nfs/dbraw/zinc/67/11/59/1124671159.db2.gz JCKQQNBXUSPFCD-HXOBKFHXSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1cccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763489874 1124671161 /nfs/dbraw/zinc/67/11/61/1124671161.db2.gz JCKQQNBXUSPFCD-HXOBKFHXSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1cccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763489875 1124671558 /nfs/dbraw/zinc/67/15/58/1124671558.db2.gz JCKQQNBXUSPFCD-SBUREZEXSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1cccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763489875 1124671562 /nfs/dbraw/zinc/67/15/62/1124671562.db2.gz JCKQQNBXUSPFCD-SBUREZEXSA-N 1 2 337.529 3.989 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2ccccc21 ZINC000069392302 1124742946 /nfs/dbraw/zinc/74/29/46/1124742946.db2.gz IEJIOYPXGMDMKT-HXUWFJFHSA-N 1 2 331.419 3.609 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[NH+]2CCC(C(C)(C)C)CC2)c1=S ZINC000734828972 1131283022 /nfs/dbraw/zinc/28/30/22/1131283022.db2.gz BCQDPOMVSXFZLS-UHFFFAOYSA-N 1 2 339.553 3.777 20 0 EHADLO Cc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000734834766 1131284046 /nfs/dbraw/zinc/28/40/46/1131284046.db2.gz HOPRFBUFAXAEMQ-UHFFFAOYSA-N 1 2 346.475 3.721 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000181984190 1125110066 /nfs/dbraw/zinc/11/00/66/1125110066.db2.gz WXOPLMQXJYESNS-GOSISDBHSA-N 1 2 336.391 3.688 20 0 EHADLO O=C(N[C@@H]1CCSc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263967133 1125240679 /nfs/dbraw/zinc/24/06/79/1125240679.db2.gz UPINOJVYPFPMMH-UKRRQHHQSA-N 1 2 342.468 3.536 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000093478296 1125259846 /nfs/dbraw/zinc/25/98/46/1125259846.db2.gz OGDBQOVPSVYONV-FQEVSTJZSA-N 1 2 339.435 3.730 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000093478296 1125259850 /nfs/dbraw/zinc/25/98/50/1125259850.db2.gz OGDBQOVPSVYONV-FQEVSTJZSA-N 1 2 339.435 3.730 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000093637855 1125279350 /nfs/dbraw/zinc/27/93/50/1125279350.db2.gz IVEVPRUSHUUUHF-HXUWFJFHSA-N 1 2 345.462 3.566 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000093637855 1125279356 /nfs/dbraw/zinc/27/93/56/1125279356.db2.gz IVEVPRUSHUUUHF-HXUWFJFHSA-N 1 2 345.462 3.566 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000182591736 1125339013 /nfs/dbraw/zinc/33/90/13/1125339013.db2.gz QIUDBPILZFXQJJ-UHFFFAOYSA-N 1 2 346.736 3.628 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(C)cs1 ZINC000182681951 1125353485 /nfs/dbraw/zinc/35/34/85/1125353485.db2.gz SMPCNOHNHZLIID-GOSISDBHSA-N 1 2 344.436 3.679 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763586828 1125385252 /nfs/dbraw/zinc/38/52/52/1125385252.db2.gz FLLOESCJGPTCRL-VKXYGBLQSA-N 1 2 337.291 3.931 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763586828 1125385254 /nfs/dbraw/zinc/38/52/54/1125385254.db2.gz FLLOESCJGPTCRL-VKXYGBLQSA-N 1 2 337.291 3.931 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl ZINC000068938770 1129264721 /nfs/dbraw/zinc/26/47/21/1129264721.db2.gz JGFNKUQEKFGWEB-LLVKDONJSA-N 1 2 333.794 3.670 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(F)c1Cl ZINC000079728797 1129291115 /nfs/dbraw/zinc/29/11/15/1129291115.db2.gz XEZHRIPLZBGWRZ-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]Cc2noc(C3CCCCC3)n2)C12CCCC2 ZINC000347698358 1129345647 /nfs/dbraw/zinc/34/56/47/1129345647.db2.gz DYDGZWWBJRVZPI-CVEARBPZSA-N 1 2 333.476 3.945 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]nc1-c1ccccc1 ZINC000080442242 1129356751 /nfs/dbraw/zinc/35/67/51/1129356751.db2.gz WDNGQVKNZFVKDK-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068407501 1129368325 /nfs/dbraw/zinc/36/83/25/1129368325.db2.gz PZGDIWMEVIXCKK-KRWDZBQOSA-N 1 2 337.467 3.713 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000922227690 1129377684 /nfs/dbraw/zinc/37/76/84/1129377684.db2.gz ZSTNDHPNCITTNQ-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000081317175 1129413036 /nfs/dbraw/zinc/41/30/36/1129413036.db2.gz ZSYRXSGCYBVMGY-KRWDZBQOSA-N 1 2 339.826 3.787 20 0 EHADLO Cc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccn1C(C)C ZINC000338845466 1129471837 /nfs/dbraw/zinc/47/18/37/1129471837.db2.gz ZKCJERLKCXLFRQ-UHFFFAOYSA-N 1 2 336.439 3.552 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)c(C)c1 ZINC000543425259 1129480457 /nfs/dbraw/zinc/48/04/57/1129480457.db2.gz ZBSADBQKTNTXNS-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO CC(C)c1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)ccc1O ZINC000922378657 1129509899 /nfs/dbraw/zinc/50/98/99/1129509899.db2.gz UQVOBWASIVIHSH-GOSISDBHSA-N 1 2 339.439 3.514 20 0 EHADLO CC(C)c1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)ccc1O ZINC000922378657 1129509902 /nfs/dbraw/zinc/50/99/02/1129509902.db2.gz UQVOBWASIVIHSH-GOSISDBHSA-N 1 2 339.439 3.514 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)[C@H]2C ZINC001168726433 1129531421 /nfs/dbraw/zinc/53/14/21/1129531421.db2.gz JLQIQSYLBLQZLD-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)[C@H]2C ZINC001168726433 1129531424 /nfs/dbraw/zinc/53/14/24/1129531424.db2.gz JLQIQSYLBLQZLD-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000275654837 1129555663 /nfs/dbraw/zinc/55/56/63/1129555663.db2.gz CRCASRYLLCGYBV-MOPGFXCFSA-N 1 2 345.483 3.632 20 0 EHADLO Cn1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c(-c2cccs2)n1 ZINC000922521109 1129560955 /nfs/dbraw/zinc/56/09/55/1129560955.db2.gz SNCSYTMJLGSCJK-KDOFPFPSSA-N 1 2 343.427 3.710 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000078640302 1129568353 /nfs/dbraw/zinc/56/83/53/1129568353.db2.gz WZAJMJLLDAUYPS-GHMZBOCLSA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000078640302 1129568357 /nfs/dbraw/zinc/56/83/57/1129568357.db2.gz WZAJMJLLDAUYPS-GHMZBOCLSA-N 1 2 347.322 3.636 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(N(C)C(=O)C4CC4)cc3)n2c1 ZINC000922566246 1129574439 /nfs/dbraw/zinc/57/44/39/1129574439.db2.gz YYXUXIFGORYCIS-UHFFFAOYSA-N 1 2 334.423 3.628 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)c(C)c1 ZINC000922742333 1129649940 /nfs/dbraw/zinc/64/99/40/1129649940.db2.gz UHRVWIBBUVBFFR-UHFFFAOYSA-N 1 2 340.858 3.886 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC(C)(C)C1CCCCC1 ZINC000428980420 1129659318 /nfs/dbraw/zinc/65/93/18/1129659318.db2.gz UTJNKNIKKPFWRQ-UHFFFAOYSA-N 1 2 346.519 3.967 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc1 ZINC000347755423 1129689481 /nfs/dbraw/zinc/68/94/81/1129689481.db2.gz RYQXLAUHQNTYIB-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000156099426 1129695152 /nfs/dbraw/zinc/69/51/52/1129695152.db2.gz QZSLZJYFWNJFNR-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000156099426 1129695153 /nfs/dbraw/zinc/69/51/53/1129695153.db2.gz QZSLZJYFWNJFNR-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO CC[N@H+](Cc1ccccn1)Cc1ccc(OC)cc1Br ZINC000347779020 1129749879 /nfs/dbraw/zinc/74/98/79/1129749879.db2.gz KCTWDRBTXDEWRJ-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccccn1)Cc1ccc(OC)cc1Br ZINC000347779020 1129749880 /nfs/dbraw/zinc/74/98/80/1129749880.db2.gz KCTWDRBTXDEWRJ-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625227040 1129775487 /nfs/dbraw/zinc/77/54/87/1129775487.db2.gz MBAJBWLZYLBOQK-SFHVURJKSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625227040 1129775489 /nfs/dbraw/zinc/77/54/89/1129775489.db2.gz MBAJBWLZYLBOQK-SFHVURJKSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1)C1CCC(C)CC1 ZINC000673668579 1129788729 /nfs/dbraw/zinc/78/87/29/1129788729.db2.gz FHFFCAJTZZMZGM-MKJPBZQASA-N 1 2 325.456 3.875 20 0 EHADLO CCn1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c2ccccc21 ZINC000673747110 1129825950 /nfs/dbraw/zinc/82/59/50/1129825950.db2.gz IPXAPDXNKWVQCX-UHFFFAOYSA-N 1 2 346.434 3.590 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429122056 1129830581 /nfs/dbraw/zinc/83/05/81/1129830581.db2.gz IZQPUSFANGRDIG-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429122056 1129830583 /nfs/dbraw/zinc/83/05/83/1129830583.db2.gz IZQPUSFANGRDIG-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000625324002 1129830756 /nfs/dbraw/zinc/83/07/56/1129830756.db2.gz RRSVPMAZFQWSEF-IRXDYDNUSA-N 1 2 345.418 3.828 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000625324002 1129830760 /nfs/dbraw/zinc/83/07/60/1129830760.db2.gz RRSVPMAZFQWSEF-IRXDYDNUSA-N 1 2 345.418 3.828 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000625421188 1129866465 /nfs/dbraw/zinc/86/64/65/1129866465.db2.gz UMVZOZZAIVOMMA-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000625421188 1129866471 /nfs/dbraw/zinc/86/64/71/1129866471.db2.gz UMVZOZZAIVOMMA-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO CC(C)C1(C)CC[NH+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000186888749 1129890021 /nfs/dbraw/zinc/89/00/21/1129890021.db2.gz VRKXGJWWYDOSOU-UHFFFAOYSA-N 1 2 336.427 3.692 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H](c2ccccc2)C1 ZINC000030030051 1129911360 /nfs/dbraw/zinc/91/13/60/1129911360.db2.gz GKXNOENFDQYREZ-KRWDZBQOSA-N 1 2 340.492 3.756 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H](c2ccccc2)C1 ZINC000030030051 1129911362 /nfs/dbraw/zinc/91/13/62/1129911362.db2.gz GKXNOENFDQYREZ-KRWDZBQOSA-N 1 2 340.492 3.756 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000163120231 1129919822 /nfs/dbraw/zinc/91/98/22/1129919822.db2.gz GRPAKUOZGZCLJA-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000163120231 1129919825 /nfs/dbraw/zinc/91/98/25/1129919825.db2.gz GRPAKUOZGZCLJA-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO O=C(CCc1cccs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282497150 1129948937 /nfs/dbraw/zinc/94/89/37/1129948937.db2.gz YSGBQDQLLOVYSM-HNNXBMFYSA-N 1 2 343.496 3.620 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)n1 ZINC000625651744 1129969491 /nfs/dbraw/zinc/96/94/91/1129969491.db2.gz UMTGLIAPSMVRJP-ZIAGYGMSSA-N 1 2 335.398 3.692 20 0 EHADLO CCCCc1noc(C[N@H+](C)CCCOc2ccc(Cl)cc2)n1 ZINC000059393239 1129986223 /nfs/dbraw/zinc/98/62/23/1129986223.db2.gz ZCTYKDGHYGTRGJ-UHFFFAOYSA-N 1 2 337.851 3.967 20 0 EHADLO CCCCc1noc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)n1 ZINC000059393239 1129986224 /nfs/dbraw/zinc/98/62/24/1129986224.db2.gz ZCTYKDGHYGTRGJ-UHFFFAOYSA-N 1 2 337.851 3.967 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc2c(c1)-c1ccccc1C2 ZINC000736196837 1131412256 /nfs/dbraw/zinc/41/22/56/1131412256.db2.gz ZMKRWAUCWUVFJB-UHFFFAOYSA-N 1 2 343.430 3.885 20 0 EHADLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(F)c1 ZINC000674097846 1130002888 /nfs/dbraw/zinc/00/28/88/1130002888.db2.gz QGNCRBHNQJUFPR-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO CC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000674235239 1130032364 /nfs/dbraw/zinc/03/23/64/1130032364.db2.gz QDHUGDJTCPORHK-UHFFFAOYSA-N 1 2 340.389 3.540 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000674239031 1130035328 /nfs/dbraw/zinc/03/53/28/1130035328.db2.gz QHJBZSTYHOVWNJ-UHFFFAOYSA-N 1 2 336.479 3.659 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000528574204 1130038544 /nfs/dbraw/zinc/03/85/44/1130038544.db2.gz OILFPHQCDOXYMT-UHFFFAOYSA-N 1 2 330.403 3.581 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000171915964 1130097913 /nfs/dbraw/zinc/09/79/13/1130097913.db2.gz BFUFWIDOMYRCKN-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000171915964 1130097920 /nfs/dbraw/zinc/09/79/20/1130097920.db2.gz BFUFWIDOMYRCKN-ZIAGYGMSSA-N 1 2 346.780 3.640 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC(Cc4ccccc4C)C3)ccc2[nH+]1 ZINC000674565132 1130132807 /nfs/dbraw/zinc/13/28/07/1130132807.db2.gz PEYSRDHBJGMHMC-UHFFFAOYSA-N 1 2 334.423 3.658 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001212523099 1130212359 /nfs/dbraw/zinc/21/23/59/1130212359.db2.gz ANRGIPLFOMQKIJ-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO CCCCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869318 1130212708 /nfs/dbraw/zinc/21/27/08/1130212708.db2.gz WVTIKXWBBWEOMO-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO CCCCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000674869318 1130212712 /nfs/dbraw/zinc/21/27/12/1130212712.db2.gz WVTIKXWBBWEOMO-HNNXBMFYSA-N 1 2 339.277 3.502 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2cc(OC(F)(F)F)cc[nH+]2)c1 ZINC001212525831 1130228915 /nfs/dbraw/zinc/22/89/15/1130228915.db2.gz NLMLYEZDHPFQPQ-UHFFFAOYSA-N 1 2 340.301 3.829 20 0 EHADLO Cc1cc(C)cc(C[N@H+](C)Cn2c(-c3ccccn3)csc2=O)c1 ZINC000766089901 1130243166 /nfs/dbraw/zinc/24/31/66/1130243166.db2.gz DOFULYCRHZCXHV-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO Cc1cc(C)cc(C[N@@H+](C)Cn2c(-c3ccccn3)csc2=O)c1 ZINC000766089901 1130243167 /nfs/dbraw/zinc/24/31/67/1130243167.db2.gz DOFULYCRHZCXHV-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO S=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1 ZINC000785475521 1130251125 /nfs/dbraw/zinc/25/11/25/1130251125.db2.gz NPHVPIXTXJKLJR-UHFFFAOYSA-N 1 2 345.899 3.685 20 0 EHADLO S=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1 ZINC000785475521 1130251135 /nfs/dbraw/zinc/25/11/35/1130251135.db2.gz NPHVPIXTXJKLJR-UHFFFAOYSA-N 1 2 345.899 3.685 20 0 EHADLO FC(F)(F)[C@H]1C[NH+](Cc2cnc3ccccn23)C[C@@H]1C(F)(F)F ZINC000675248059 1130295850 /nfs/dbraw/zinc/29/58/50/1130295850.db2.gz XCPIFGFGEYLJIT-QWRGUYRKSA-N 1 2 337.267 3.507 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321608 1130309624 /nfs/dbraw/zinc/30/96/24/1130309624.db2.gz BRDPAMKWFIHKIR-SKDRFNHKSA-N 1 2 342.226 3.899 20 0 EHADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000675321608 1130309630 /nfs/dbraw/zinc/30/96/30/1130309630.db2.gz BRDPAMKWFIHKIR-SKDRFNHKSA-N 1 2 342.226 3.899 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000766107702 1130322632 /nfs/dbraw/zinc/32/26/32/1130322632.db2.gz VPOOUFUINAPRTE-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000766107702 1130322638 /nfs/dbraw/zinc/32/26/38/1130322638.db2.gz VPOOUFUINAPRTE-QGZVFWFLSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)n1 ZINC000766141675 1130394921 /nfs/dbraw/zinc/39/49/21/1130394921.db2.gz VDEFUZSTWAPIAH-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)n1 ZINC000766141675 1130394926 /nfs/dbraw/zinc/39/49/26/1130394926.db2.gz VDEFUZSTWAPIAH-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)s1 ZINC000246751824 1130409926 /nfs/dbraw/zinc/40/99/26/1130409926.db2.gz NICKXBBLPYYQSP-QEJZJMRPSA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)s1 ZINC000246751824 1130409930 /nfs/dbraw/zinc/40/99/30/1130409930.db2.gz NICKXBBLPYYQSP-QEJZJMRPSA-N 1 2 337.533 3.702 20 0 EHADLO Cc1ccn2cnc(C(=O)Nc3ccc4c(cc[nH+]c4N(C)C)c3)c2c1 ZINC001129119625 1130506640 /nfs/dbraw/zinc/50/66/40/1130506640.db2.gz BAUVOWFXRXTDDP-UHFFFAOYSA-N 1 2 345.406 3.509 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)NCCn2cc[nH+]c2)c1C ZINC000070752642 1130530918 /nfs/dbraw/zinc/53/09/18/1130530918.db2.gz CNCUKHHWIHDNPT-UHFFFAOYSA-N 1 2 334.423 3.674 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc(Br)ccc2F)C1 ZINC000535265585 1130588206 /nfs/dbraw/zinc/58/82/06/1130588206.db2.gz KEWMYZQVMAKEFS-QGZVFWFLSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc(Br)ccc2F)C1 ZINC000535265585 1130588209 /nfs/dbraw/zinc/58/82/09/1130588209.db2.gz KEWMYZQVMAKEFS-QGZVFWFLSA-N 1 2 349.247 3.865 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(COc2cccc(C)c2)oc1=S ZINC000727825362 1130601509 /nfs/dbraw/zinc/60/15/09/1130601509.db2.gz ZMUHKVLFZNGPEQ-CQSZACIVSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(COc2cccc(C)c2)oc1=S ZINC000727825362 1130601515 /nfs/dbraw/zinc/60/15/15/1130601515.db2.gz ZMUHKVLFZNGPEQ-CQSZACIVSA-N 1 2 333.457 3.925 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000023253232 1130627876 /nfs/dbraw/zinc/62/78/76/1130627876.db2.gz UWFKZWVKSYAZMQ-UHFFFAOYSA-N 1 2 325.239 3.904 20 0 EHADLO CC[C@H](C)Sc1ccc(NC(=O)NCc2c[nH+]cn2C)c(C)c1 ZINC000290138640 1130635904 /nfs/dbraw/zinc/63/59/04/1130635904.db2.gz FZXKQASMPVCWPJ-ZDUSSCGKSA-N 1 2 332.473 3.941 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000730256866 1130691298 /nfs/dbraw/zinc/69/12/98/1130691298.db2.gz DFQCKDQVSVEEBY-GFCCVEGCSA-N 1 2 349.456 3.520 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000730256866 1130691300 /nfs/dbraw/zinc/69/13/00/1130691300.db2.gz DFQCKDQVSVEEBY-GFCCVEGCSA-N 1 2 349.456 3.520 20 0 EHADLO COc1ccc(COCCO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000731030034 1130761560 /nfs/dbraw/zinc/76/15/60/1130761560.db2.gz NZSDSDNCYWXLHZ-UHFFFAOYSA-N 1 2 348.830 3.606 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1 ZINC000731658279 1130824008 /nfs/dbraw/zinc/82/40/08/1130824008.db2.gz ZOYQVKXIHOESGV-UHFFFAOYSA-N 1 2 338.480 3.700 20 0 EHADLO CCCC[N@H+](C)c1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1 ZINC000731663189 1130826791 /nfs/dbraw/zinc/82/67/91/1130826791.db2.gz MNFPSCUHIZFQMA-UHFFFAOYSA-N 1 2 332.835 3.814 20 0 EHADLO CCCC[N@@H+](C)c1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1 ZINC000731663189 1130826798 /nfs/dbraw/zinc/82/67/98/1130826798.db2.gz MNFPSCUHIZFQMA-UHFFFAOYSA-N 1 2 332.835 3.814 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000732052890 1130885373 /nfs/dbraw/zinc/88/53/73/1130885373.db2.gz SHRPTEIFAHCNEC-QINSGFPZSA-N 1 2 344.455 3.635 20 0 EHADLO CCCCSCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000749882738 1130968708 /nfs/dbraw/zinc/96/87/08/1130968708.db2.gz PUNVXIAZTYTHIX-SFHVURJKSA-N 1 2 345.512 3.891 20 0 EHADLO CC[C@H](Nc1ccccc1)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000733135804 1131001565 /nfs/dbraw/zinc/00/15/65/1131001565.db2.gz MRQVFZYEDWURAU-INIZCTEOSA-N 1 2 346.500 3.814 20 0 EHADLO CC[C@@H](Nc1ccccc1)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000733135805 1131001646 /nfs/dbraw/zinc/00/16/46/1131001646.db2.gz MRQVFZYEDWURAU-MRXNPFEDSA-N 1 2 346.500 3.814 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)nc1 ZINC000733234502 1131013132 /nfs/dbraw/zinc/01/31/32/1131013132.db2.gz HMEQQZFNQXOFII-UHFFFAOYSA-N 1 2 336.395 3.798 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000733303572 1131018729 /nfs/dbraw/zinc/01/87/29/1131018729.db2.gz CGRRIAOYTRWODY-ZDUSSCGKSA-N 1 2 345.830 3.717 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000733293985 1131023721 /nfs/dbraw/zinc/02/37/21/1131023721.db2.gz ZINSKSJGWFXZHL-CYBMUJFWSA-N 1 2 329.271 3.887 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000733293985 1131023724 /nfs/dbraw/zinc/02/37/24/1131023724.db2.gz ZINSKSJGWFXZHL-CYBMUJFWSA-N 1 2 329.271 3.887 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347958109 1131104758 /nfs/dbraw/zinc/10/47/58/1131104758.db2.gz YHRRYCBBMBCOAZ-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000347958109 1131104763 /nfs/dbraw/zinc/10/47/63/1131104763.db2.gz YHRRYCBBMBCOAZ-MRXNPFEDSA-N 1 2 340.442 3.539 20 0 EHADLO CCCc1nc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000348078658 1131142501 /nfs/dbraw/zinc/14/25/01/1131142501.db2.gz QGJSPFNQVSXGDA-UHFFFAOYSA-N 1 2 333.476 3.553 20 0 EHADLO Cc1nc(CC[N@@H+]2CCN(Cc3ccccc3)C(C)(C)C2)cs1 ZINC000348087335 1131151707 /nfs/dbraw/zinc/15/17/07/1131151707.db2.gz WLMGKLSXJPDYAG-UHFFFAOYSA-N 1 2 329.513 3.590 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1OC(F)(F)F ZINC000282699736 1131151795 /nfs/dbraw/zinc/15/17/95/1131151795.db2.gz KVKPQAZJNLGSFN-NSHDSACASA-N 1 2 342.365 3.783 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000733998244 1131184880 /nfs/dbraw/zinc/18/48/80/1131184880.db2.gz RDCAAUHKUFCIPI-INIZCTEOSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000733998244 1131184883 /nfs/dbraw/zinc/18/48/83/1131184883.db2.gz RDCAAUHKUFCIPI-INIZCTEOSA-N 1 2 345.468 3.533 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(CC)s3)CC2)s1 ZINC000737935552 1131457309 /nfs/dbraw/zinc/45/73/09/1131457309.db2.gz ZSSQTCQHRCQKJX-UHFFFAOYSA-N 1 2 348.537 3.892 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c1=S ZINC000738019068 1131459032 /nfs/dbraw/zinc/45/90/32/1131459032.db2.gz RCAAADUAHUBXTE-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c1=S ZINC000738019068 1131459036 /nfs/dbraw/zinc/45/90/36/1131459036.db2.gz RCAAADUAHUBXTE-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO C[N@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)CC(C)(C)C ZINC000738090365 1131460932 /nfs/dbraw/zinc/46/09/32/1131460932.db2.gz QSONXSLIXZVPTC-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)CC(C)(C)C ZINC000738090365 1131460935 /nfs/dbraw/zinc/46/09/35/1131460935.db2.gz QSONXSLIXZVPTC-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738390953 1131468178 /nfs/dbraw/zinc/46/81/78/1131468178.db2.gz BGJKEINKINHKAZ-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1nccn1C(F)F ZINC000738430297 1131469898 /nfs/dbraw/zinc/46/98/98/1131469898.db2.gz OCWPNQJQFNRJMF-UHFFFAOYSA-N 1 2 345.397 3.679 20 0 EHADLO O=C1OC[C@H](Cc2ccccc2)N1C[N@H+](Cc1ccccc1)C1CC1 ZINC000739839904 1131514304 /nfs/dbraw/zinc/51/43/04/1131514304.db2.gz VQZCZXRDOLBJCT-FQEVSTJZSA-N 1 2 336.435 3.672 20 0 EHADLO O=C1OC[C@H](Cc2ccccc2)N1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000739839904 1131514307 /nfs/dbraw/zinc/51/43/07/1131514307.db2.gz VQZCZXRDOLBJCT-FQEVSTJZSA-N 1 2 336.435 3.672 20 0 EHADLO C[N@H+](CCOC1CCCCCC1)CC(=O)Nc1ccccc1Cl ZINC000740873836 1131551359 /nfs/dbraw/zinc/55/13/59/1131551359.db2.gz HIZVWLQEDGEEPW-UHFFFAOYSA-N 1 2 338.879 3.950 20 0 EHADLO C[N@@H+](CCOC1CCCCCC1)CC(=O)Nc1ccccc1Cl ZINC000740873836 1131551360 /nfs/dbraw/zinc/55/13/60/1131551360.db2.gz HIZVWLQEDGEEPW-UHFFFAOYSA-N 1 2 338.879 3.950 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861160 1131553898 /nfs/dbraw/zinc/55/38/98/1131553898.db2.gz LIGNMIDBUGHJNO-ROUUACIJSA-N 1 2 338.451 3.893 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861160 1131553904 /nfs/dbraw/zinc/55/39/04/1131553904.db2.gz LIGNMIDBUGHJNO-ROUUACIJSA-N 1 2 338.451 3.893 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000740909316 1131554835 /nfs/dbraw/zinc/55/48/35/1131554835.db2.gz CQYCETFEFZSNJO-NVXWUHKLSA-N 1 2 326.444 3.640 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)cc2Cl)CC[C@@H]1O ZINC000336787306 1131576492 /nfs/dbraw/zinc/57/64/92/1131576492.db2.gz LEFSEPVWPZDYKQ-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2Cl)CC[C@@H]1O ZINC000336787306 1131576496 /nfs/dbraw/zinc/57/64/96/1131576496.db2.gz LEFSEPVWPZDYKQ-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CCOc1ccccc1COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000741150987 1131583872 /nfs/dbraw/zinc/58/38/72/1131583872.db2.gz RHASMDPXRYDNNZ-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CCOc1ccccc1COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000741150987 1131583875 /nfs/dbraw/zinc/58/38/75/1131583875.db2.gz RHASMDPXRYDNNZ-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO Cc1ccc2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2n1 ZINC000741212290 1131586572 /nfs/dbraw/zinc/58/65/72/1131586572.db2.gz IIRAFIODURHNGZ-QGZVFWFLSA-N 1 2 336.439 3.584 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000741786258 1131647833 /nfs/dbraw/zinc/64/78/33/1131647833.db2.gz DYWRUICLZOYQGS-GDBMZVCRSA-N 1 2 335.444 3.573 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000741786258 1131647837 /nfs/dbraw/zinc/64/78/37/1131647837.db2.gz DYWRUICLZOYQGS-GDBMZVCRSA-N 1 2 335.444 3.573 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000741800616 1131651633 /nfs/dbraw/zinc/65/16/33/1131651633.db2.gz YUABJKCDKROHKN-HNNXBMFYSA-N 1 2 333.863 3.537 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000741800616 1131651635 /nfs/dbraw/zinc/65/16/35/1131651635.db2.gz YUABJKCDKROHKN-HNNXBMFYSA-N 1 2 333.863 3.537 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3n2C)c(-c2ccccc2)n1 ZINC000180229139 1131672721 /nfs/dbraw/zinc/67/27/21/1131672721.db2.gz DBOQNVXRQUEXGC-UHFFFAOYSA-N 1 2 345.450 3.606 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(-c2ccccc2)n1 ZINC000180229139 1131672723 /nfs/dbraw/zinc/67/27/23/1131672723.db2.gz DBOQNVXRQUEXGC-UHFFFAOYSA-N 1 2 345.450 3.606 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)o2)cc1 ZINC000742164682 1131691540 /nfs/dbraw/zinc/69/15/40/1131691540.db2.gz BETPBNLOWFOANP-GASCZTMLSA-N 1 2 345.468 3.638 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)o2)cc1 ZINC000742164682 1131691543 /nfs/dbraw/zinc/69/15/43/1131691543.db2.gz BETPBNLOWFOANP-GASCZTMLSA-N 1 2 345.468 3.638 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1c2cc(Cl)ccc2oc1=O ZINC000742158495 1131695011 /nfs/dbraw/zinc/69/50/11/1131695011.db2.gz ILVMOAFQJISZMD-GFCCVEGCSA-N 1 2 328.799 3.652 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1c2cc(Cl)ccc2oc1=O ZINC000742158495 1131695014 /nfs/dbraw/zinc/69/50/14/1131695014.db2.gz ILVMOAFQJISZMD-GFCCVEGCSA-N 1 2 328.799 3.652 20 0 EHADLO Cc1cccc(F)c1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000742420450 1131722924 /nfs/dbraw/zinc/72/29/24/1131722924.db2.gz AIIWIQMPJKFYFF-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H](C)CCOCC(C)C)c1nnc(C)o1 ZINC001172472870 1131734340 /nfs/dbraw/zinc/73/43/40/1131734340.db2.gz QYFMMROQNQKVAR-KSSFIOAISA-N 1 2 347.459 3.517 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742488265 1131741369 /nfs/dbraw/zinc/74/13/69/1131741369.db2.gz ASVILABWRGVRAI-VKAVYKQESA-N 1 2 344.499 3.640 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2cccc[nH+]2)CC1 ZINC000742572245 1131752417 /nfs/dbraw/zinc/75/24/17/1131752417.db2.gz ZGBIRVWVNZMFDK-MRXNPFEDSA-N 1 2 331.460 3.698 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3nc4cccc(Cl)c4s3)cc2)C1 ZINC001212664664 1131755122 /nfs/dbraw/zinc/75/51/22/1131755122.db2.gz YHRXGCRKKLSMLU-UHFFFAOYSA-N 1 2 345.855 3.870 20 0 EHADLO CCCCC[C@H](C)CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000742631895 1131764292 /nfs/dbraw/zinc/76/42/92/1131764292.db2.gz VFGADZLGMLXMDT-SFHVURJKSA-N 1 2 346.515 3.946 20 0 EHADLO COC(=O)C1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001172549930 1131767339 /nfs/dbraw/zinc/76/73/39/1131767339.db2.gz ZVOWUTVEVMKCKQ-YLJYHZDGSA-N 1 2 335.447 3.623 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc4cc(Cl)cnc43)cc2)C1 ZINC001212670217 1131780972 /nfs/dbraw/zinc/78/09/72/1131780972.db2.gz MVXKKAIFHZKGNY-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172579820 1131791372 /nfs/dbraw/zinc/79/13/72/1131791372.db2.gz ZDYVKHFTTWIHPZ-ZUZCIYMTSA-N 1 2 333.806 3.871 20 0 EHADLO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC2(F)F)CCN1C(=O)OC(C)(C)C ZINC001172624398 1131809564 /nfs/dbraw/zinc/80/95/64/1131809564.db2.gz XCDSZQWYJIKYFO-MCIONIFRSA-N 1 2 332.435 3.942 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000743351914 1131897426 /nfs/dbraw/zinc/89/74/26/1131897426.db2.gz UVKOEQXIDFKOKL-OAHLLOKOSA-N 1 2 349.272 3.699 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000743351914 1131897428 /nfs/dbraw/zinc/89/74/28/1131897428.db2.gz UVKOEQXIDFKOKL-OAHLLOKOSA-N 1 2 349.272 3.699 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743354760 1131899471 /nfs/dbraw/zinc/89/94/71/1131899471.db2.gz UDVBRMMEWXBRPT-AWEZNQCLSA-N 1 2 330.428 3.513 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743354760 1131899480 /nfs/dbraw/zinc/89/94/80/1131899480.db2.gz UDVBRMMEWXBRPT-AWEZNQCLSA-N 1 2 330.428 3.513 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000743350713 1131906905 /nfs/dbraw/zinc/90/69/05/1131906905.db2.gz QNUXMKLTJQQZMM-KDOFPFPSSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000743350713 1131906915 /nfs/dbraw/zinc/90/69/15/1131906915.db2.gz QNUXMKLTJQQZMM-KDOFPFPSSA-N 1 2 328.843 3.949 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000743350987 1131907710 /nfs/dbraw/zinc/90/77/10/1131907710.db2.gz FRSKDTZUNWMSGV-ZDUSSCGKSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000743350987 1131907716 /nfs/dbraw/zinc/90/77/16/1131907716.db2.gz FRSKDTZUNWMSGV-ZDUSSCGKSA-N 1 2 328.378 3.743 20 0 EHADLO O=c1cc2c(nn1C[N@@H+]1CCCC3(C1)CCCCCC3)CCCC2 ZINC000743386412 1131908827 /nfs/dbraw/zinc/90/88/27/1131908827.db2.gz ZDMOTAIBVJAAQE-UHFFFAOYSA-N 1 2 329.488 3.516 20 0 EHADLO O=c1cc2c(nn1C[N@H+]1CCCC3(C1)CCCCCC3)CCCC2 ZINC000743386412 1131908836 /nfs/dbraw/zinc/90/88/36/1131908836.db2.gz ZDMOTAIBVJAAQE-UHFFFAOYSA-N 1 2 329.488 3.516 20 0 EHADLO CCOc1nn(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c(=S)s1 ZINC000743401403 1131913044 /nfs/dbraw/zinc/91/30/44/1131913044.db2.gz ZDWQRZZDBNLFEY-GHMZBOCLSA-N 1 2 333.548 3.636 20 0 EHADLO CCOc1nn(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c(=S)s1 ZINC000743401403 1131913050 /nfs/dbraw/zinc/91/30/50/1131913050.db2.gz ZDWQRZZDBNLFEY-GHMZBOCLSA-N 1 2 333.548 3.636 20 0 EHADLO O=c1[nH]cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC001212694972 1131923916 /nfs/dbraw/zinc/92/39/16/1131923916.db2.gz HAKLJHXZNXWJNI-UHFFFAOYSA-N 1 2 334.301 3.794 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000743564823 1131941957 /nfs/dbraw/zinc/94/19/57/1131941957.db2.gz JQUFSTUCNJHMIA-RCCFBDPRSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H](CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000743610875 1131949848 /nfs/dbraw/zinc/94/98/48/1131949848.db2.gz ASPQUVAQHCPLGD-RDJZCZTQSA-N 1 2 342.487 3.685 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173120974 1131973688 /nfs/dbraw/zinc/97/36/88/1131973688.db2.gz KWADLEDGPHACGD-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173120974 1131973693 /nfs/dbraw/zinc/97/36/93/1131973693.db2.gz KWADLEDGPHACGD-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000743852117 1131986485 /nfs/dbraw/zinc/98/64/85/1131986485.db2.gz LXVRWDNSBOVTTQ-XMCHAPAWSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000743852117 1131986490 /nfs/dbraw/zinc/98/64/90/1131986490.db2.gz LXVRWDNSBOVTTQ-XMCHAPAWSA-N 1 2 347.405 3.769 20 0 EHADLO CCc1ccc(C[C@H](C)[NH2+][C@H](Cc2cccc(F)c2)C(=O)OC)cc1 ZINC001173242904 1132030142 /nfs/dbraw/zinc/03/01/42/1132030142.db2.gz YJRWMEMPRYZIAU-MGPUTAFESA-N 1 2 343.442 3.693 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000744436949 1132092977 /nfs/dbraw/zinc/09/29/77/1132092977.db2.gz CIOIMONDEJWODM-HNNXBMFYSA-N 1 2 346.500 3.737 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000744436949 1132092984 /nfs/dbraw/zinc/09/29/84/1132092984.db2.gz CIOIMONDEJWODM-HNNXBMFYSA-N 1 2 346.500 3.737 20 0 EHADLO Cc1cc(CO)cc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001212752550 1132130204 /nfs/dbraw/zinc/13/02/04/1132130204.db2.gz TWZCGNGXDNXNHE-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)ccc1F ZINC001173949790 1132193100 /nfs/dbraw/zinc/19/31/00/1132193100.db2.gz JYDWPHNRPGXYJL-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745080984 1132195765 /nfs/dbraw/zinc/19/57/65/1132195765.db2.gz DHBKBTIIMNDUHP-HNNXBMFYSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000745080984 1132195768 /nfs/dbraw/zinc/19/57/68/1132195768.db2.gz DHBKBTIIMNDUHP-HNNXBMFYSA-N 1 2 334.803 3.523 20 0 EHADLO COc1ccc2cc(Nc3ccc(N4CCC(O)CC4)[nH+]c3)ccc2c1 ZINC001174030641 1132219209 /nfs/dbraw/zinc/21/92/09/1132219209.db2.gz SYZHXHLPOKJICD-UHFFFAOYSA-N 1 2 349.434 3.948 20 0 EHADLO c1ccc2c(c1)cncc2Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174100719 1132227633 /nfs/dbraw/zinc/22/76/33/1132227633.db2.gz FXLKYLFXUPAYIR-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO COc1cc(F)ccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001174129172 1132246941 /nfs/dbraw/zinc/24/69/41/1132246941.db2.gz BPZOUPFSFQFQIJ-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc4cnccc43)c[nH+]2)C[C@H](C)O1 ZINC001174136169 1132250381 /nfs/dbraw/zinc/25/03/81/1132250381.db2.gz XUMLGMYMMHKTAG-GASCZTMLSA-N 1 2 334.423 3.987 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745787011 1132316259 /nfs/dbraw/zinc/31/62/59/1132316259.db2.gz PVPYTPLHNRQOEG-CXAGYDPISA-N 1 2 333.476 3.817 20 0 EHADLO Brc1cc(Nc2cnc3[nH]ccc3c2)cn2cc[nH+]c12 ZINC001174396997 1132330836 /nfs/dbraw/zinc/33/08/36/1132330836.db2.gz SXSLYCCNQKRXBP-UHFFFAOYSA-N 1 2 328.173 3.668 20 0 EHADLO FC(F)(F)c1cc(Nc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC001174361408 1132336046 /nfs/dbraw/zinc/33/60/46/1132336046.db2.gz HKDCNJULZXWMBG-UHFFFAOYSA-N 1 2 337.345 3.676 20 0 EHADLO Brc1ccc2c(Nc3ccc4ncnn4c3)cc[nH+]c2c1 ZINC001174371290 1132340000 /nfs/dbraw/zinc/34/00/00/1132340000.db2.gz BEOQRWZDBBEJRR-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cccc4c3CCN(C)C4=O)ccc21 ZINC001174385359 1132344882 /nfs/dbraw/zinc/34/48/82/1132344882.db2.gz OKINVPRABOEHKN-UHFFFAOYSA-N 1 2 334.423 3.989 20 0 EHADLO Cc1c(F)ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1C ZINC001174434078 1132353641 /nfs/dbraw/zinc/35/36/41/1132353641.db2.gz ACYJQNKXDCEHAI-UHFFFAOYSA-N 1 2 344.430 3.897 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000746061913 1132355256 /nfs/dbraw/zinc/35/52/56/1132355256.db2.gz NXOCSUHXVICSAD-UHFFFAOYSA-N 1 2 340.254 3.666 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000746061913 1132355263 /nfs/dbraw/zinc/35/52/63/1132355263.db2.gz NXOCSUHXVICSAD-UHFFFAOYSA-N 1 2 340.254 3.666 20 0 EHADLO Clc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1N1CCOCC1 ZINC001174411009 1132366183 /nfs/dbraw/zinc/36/61/83/1132366183.db2.gz DMVFDWOXJGNVQA-UHFFFAOYSA-N 1 2 328.803 3.748 20 0 EHADLO CC(C)CCn1cc(Nc2ccccc2C[NH+]2CCOCC2)cn1 ZINC001174413207 1132367615 /nfs/dbraw/zinc/36/76/15/1132367615.db2.gz FQEKUMYCIQMXCD-UHFFFAOYSA-N 1 2 328.460 3.505 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(COC2CCCCC2)c1 ZINC000188776594 1132437992 /nfs/dbraw/zinc/43/79/92/1132437992.db2.gz LELVBIRXHHYAJD-UHFFFAOYSA-N 1 2 327.428 3.830 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(COC2CCCCC2)c1 ZINC000188776594 1132437995 /nfs/dbraw/zinc/43/79/95/1132437995.db2.gz LELVBIRXHHYAJD-UHFFFAOYSA-N 1 2 327.428 3.830 20 0 EHADLO c1cc2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2[nH]1 ZINC001174750218 1132466093 /nfs/dbraw/zinc/46/60/93/1132466093.db2.gz LKQXOLUEAQLCAO-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO CCOc1ccc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)cc1 ZINC000192212367 1132468853 /nfs/dbraw/zinc/46/88/53/1132468853.db2.gz RJDSYRIHWCKTTK-UHFFFAOYSA-N 1 2 342.424 3.503 20 0 EHADLO CCOc1ccc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)cc1 ZINC000192212367 1132468857 /nfs/dbraw/zinc/46/88/57/1132468857.db2.gz RJDSYRIHWCKTTK-UHFFFAOYSA-N 1 2 342.424 3.503 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000192344745 1132470335 /nfs/dbraw/zinc/47/03/35/1132470335.db2.gz LURPYKYNNYJBLZ-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000192863446 1132475661 /nfs/dbraw/zinc/47/56/61/1132475661.db2.gz SHFWZDGVHIMINR-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000192863446 1132475668 /nfs/dbraw/zinc/47/56/68/1132475668.db2.gz SHFWZDGVHIMINR-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193325283 1132481336 /nfs/dbraw/zinc/48/13/36/1132481336.db2.gz SYWXIOZXCKKWNX-UHFFFAOYSA-N 1 2 337.427 3.599 20 0 EHADLO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193325283 1132481339 /nfs/dbraw/zinc/48/13/39/1132481339.db2.gz SYWXIOZXCKKWNX-UHFFFAOYSA-N 1 2 337.427 3.599 20 0 EHADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193723900 1132482865 /nfs/dbraw/zinc/48/28/65/1132482865.db2.gz PNMSWRBNUDIVLX-RYUDHWBXSA-N 1 2 339.361 3.670 20 0 EHADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193723900 1132482870 /nfs/dbraw/zinc/48/28/70/1132482870.db2.gz PNMSWRBNUDIVLX-RYUDHWBXSA-N 1 2 339.361 3.670 20 0 EHADLO c1cncc(Oc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)c1 ZINC001174847154 1132485975 /nfs/dbraw/zinc/48/59/75/1132485975.db2.gz BCBSATVSHAZYPH-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO c1cc(C2CCOCC2)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976025 1132509524 /nfs/dbraw/zinc/50/95/24/1132509524.db2.gz JQDKRIHFTPFWHT-UHFFFAOYSA-N 1 2 339.439 3.556 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC001174932873 1132511604 /nfs/dbraw/zinc/51/16/04/1132511604.db2.gz GUEBYHHRGJXTOC-TXEJJXNPSA-N 1 2 342.892 3.985 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC001174932873 1132511607 /nfs/dbraw/zinc/51/16/07/1132511607.db2.gz GUEBYHHRGJXTOC-TXEJJXNPSA-N 1 2 342.892 3.985 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc(F)c(F)c3F)c[nH+]2)C[C@H](C)O1 ZINC001174969245 1132522398 /nfs/dbraw/zinc/52/23/98/1132522398.db2.gz LMAWVUNKXLAPFO-PHIMTYICSA-N 1 2 337.345 3.856 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)o1 ZINC000766382907 1132524092 /nfs/dbraw/zinc/52/40/92/1132524092.db2.gz TXSKNFNBPYNPKR-VFZNBBLXSA-N 1 2 332.473 3.948 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)o1 ZINC000766382907 1132524097 /nfs/dbraw/zinc/52/40/97/1132524097.db2.gz TXSKNFNBPYNPKR-VFZNBBLXSA-N 1 2 332.473 3.948 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766400359 1132530078 /nfs/dbraw/zinc/53/00/78/1132530078.db2.gz DBXLVJVSYQRKIC-AAEUAGOBSA-N 1 2 325.416 3.910 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407152 1132531416 /nfs/dbraw/zinc/53/14/16/1132531416.db2.gz GZHHEVYTGNZFPO-GOEBONIOSA-N 1 2 335.455 3.964 20 0 EHADLO Clc1ccnc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc12 ZINC001174978964 1132532661 /nfs/dbraw/zinc/53/26/61/1132532661.db2.gz DTUCFCVOLJOFGL-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1nccc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc21 ZINC001174978735 1132533352 /nfs/dbraw/zinc/53/33/52/1132533352.db2.gz BITWZKDLCVITOA-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CN(C)c1ccc(Nc2cc(Br)cnc2Cl)c[nH+]1 ZINC001175341425 1132626095 /nfs/dbraw/zinc/62/60/95/1132626095.db2.gz QOZVZWQDTBBXGL-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CN(C)c1ccc(Nc2ccc3cnn([C@@H]4CCCCO4)c3c2)c[nH+]1 ZINC001175344070 1132627706 /nfs/dbraw/zinc/62/77/06/1132627706.db2.gz SAWUCZIJXBOVJE-IBGZPJMESA-N 1 2 337.427 3.940 20 0 EHADLO COc1ccccc1-c1cc(Nc2ccc(N3CCCC3)[nH+]c2)n(C)n1 ZINC001175345873 1132629532 /nfs/dbraw/zinc/62/95/32/1132629532.db2.gz HKKHPXMFSUJPMF-UHFFFAOYSA-N 1 2 349.438 3.835 20 0 EHADLO COC(=O)CCCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175351501 1132645458 /nfs/dbraw/zinc/64/54/58/1132645458.db2.gz OBLKKPMCZJHMLX-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO O=C1c2cccc(Nc3ccc(N4CCCC4)[nH+]c3)c2CN1C1CC1 ZINC001175351984 1132645809 /nfs/dbraw/zinc/64/58/09/1132645809.db2.gz GHOIIMHSMYWYFX-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO Oc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Br ZINC001175352426 1132647146 /nfs/dbraw/zinc/64/71/46/1132647146.db2.gz OWVFQIBZWGVCOP-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CCOC(=O)c1ccc(NC)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175353067 1132647562 /nfs/dbraw/zinc/64/75/62/1132647562.db2.gz YDHUGJJDHPFJLC-UHFFFAOYSA-N 1 2 340.427 3.644 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169158240 1132681403 /nfs/dbraw/zinc/68/14/03/1132681403.db2.gz FDQMDFNNYNUWRT-SNAWJCMRSA-N 1 2 349.409 3.909 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001169158223 1132681777 /nfs/dbraw/zinc/68/17/77/1132681777.db2.gz DPRCJXMJUSVLMZ-RXVVDRJESA-N 1 2 349.409 3.551 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NCc1c(Cl)cncc1Cl ZINC001169183430 1132694287 /nfs/dbraw/zinc/69/42/87/1132694287.db2.gz JRPCWXJMLBLYPS-UHFFFAOYSA-N 1 2 339.226 3.985 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC001175512432 1132695993 /nfs/dbraw/zinc/69/59/93/1132695993.db2.gz KXSHQLDMCKSKGP-GVDBMIGSSA-N 1 2 343.389 3.950 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC001175512432 1132695997 /nfs/dbraw/zinc/69/59/97/1132695997.db2.gz KXSHQLDMCKSKGP-GVDBMIGSSA-N 1 2 343.389 3.950 20 0 EHADLO CCn1c(C[N@H+](C)Cc2ccc(OC)c(F)c2)nc2c1cccc2F ZINC000103139012 1132706631 /nfs/dbraw/zinc/70/66/31/1132706631.db2.gz HOFJSXZREYXCTE-UHFFFAOYSA-N 1 2 345.393 3.975 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2ccc(OC)c(F)c2)nc2c1cccc2F ZINC000103139012 1132706637 /nfs/dbraw/zinc/70/66/37/1132706637.db2.gz HOFJSXZREYXCTE-UHFFFAOYSA-N 1 2 345.393 3.975 20 0 EHADLO C[N@@H+]1CCC=C(Nc2cc(Br)ccc2Br)C1 ZINC001175581116 1132715294 /nfs/dbraw/zinc/71/52/94/1132715294.db2.gz YWJVAYNIXGQOQS-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO C[N@H+]1CCC=C(Nc2cc(Br)ccc2Br)C1 ZINC001175581116 1132715297 /nfs/dbraw/zinc/71/52/97/1132715297.db2.gz YWJVAYNIXGQOQS-UHFFFAOYSA-N 1 2 346.066 3.843 20 0 EHADLO Cc1cc(NCC2CCC3(CCC(=O)N3)CC2)[nH+]cc1C(F)(F)F ZINC001169289515 1132718781 /nfs/dbraw/zinc/71/87/81/1132718781.db2.gz HHWLMUNDYZSEQL-UHFFFAOYSA-N 1 2 341.377 3.660 20 0 EHADLO COc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(F)cn1 ZINC001175688949 1132738486 /nfs/dbraw/zinc/73/84/86/1132738486.db2.gz WYNYIGORZXHNQJ-UHFFFAOYSA-N 1 2 334.351 3.715 20 0 EHADLO COC(=O)c1ccc(Cl)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712813 1132740268 /nfs/dbraw/zinc/74/02/68/1132740268.db2.gz SRWSZPXCWXMAKZ-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO CO[C@H]1CCOc2c(Nc3c[nH+]c(N)cc3C(F)(F)F)cccc21 ZINC001175713712 1132740667 /nfs/dbraw/zinc/74/06/67/1132740667.db2.gz BXQBSEBHZMKSQX-ZDUSSCGKSA-N 1 2 339.317 3.896 20 0 EHADLO CP(C)(=O)c1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717322 1132742719 /nfs/dbraw/zinc/74/27/19/1132742719.db2.gz IAKKRJKHZAGYIS-UHFFFAOYSA-N 1 2 329.262 3.674 20 0 EHADLO c1cn(-c2cccc(Nc3ccc(OC4CCOCC4)nc3)c2)c[nH+]1 ZINC001175728120 1132745439 /nfs/dbraw/zinc/74/54/39/1132745439.db2.gz KHCHWGHEWVWTPY-UHFFFAOYSA-N 1 2 336.395 3.569 20 0 EHADLO COc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC001175771619 1132761465 /nfs/dbraw/zinc/76/14/65/1132761465.db2.gz MKFJMPFOQHATQM-UHFFFAOYSA-N 1 2 332.831 3.924 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(Cl)c(O)c3)c2c1 ZINC001212590381 1132763145 /nfs/dbraw/zinc/76/31/45/1132763145.db2.gz JYGHGISLSOVTRH-UHFFFAOYSA-N 1 2 342.782 3.936 20 0 EHADLO CC(=O)N1CC[C@H]([N@@H+](Cc2c(Cl)cccc2Cl)C(C)C)C1 ZINC001169560334 1132786118 /nfs/dbraw/zinc/78/61/18/1132786118.db2.gz LTHKUCHIUCJSRD-ZDUSSCGKSA-N 1 2 329.271 3.825 20 0 EHADLO CC(=O)N1CC[C@H]([N@H+](Cc2c(Cl)cccc2Cl)C(C)C)C1 ZINC001169560334 1132786124 /nfs/dbraw/zinc/78/61/24/1132786124.db2.gz LTHKUCHIUCJSRD-ZDUSSCGKSA-N 1 2 329.271 3.825 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1NCCc1coc2ccccc12 ZINC001169590321 1132790043 /nfs/dbraw/zinc/79/00/43/1132790043.db2.gz APNGHQPWAIBZRS-UHFFFAOYSA-N 1 2 338.407 3.978 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000867001618 1132794341 /nfs/dbraw/zinc/79/43/41/1132794341.db2.gz SNAZIDBMYOWTKF-XLNGHYISSA-N 1 2 333.435 3.832 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Cl)nc1C(F)(F)F ZINC000766761781 1132794610 /nfs/dbraw/zinc/79/46/10/1132794610.db2.gz PAISRUOIVXLKFK-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CCCc1cc(N[C@@H]2CCc3ccccc3[C@@H]2O)nc(CCC)[nH+]1 ZINC001169620783 1132798636 /nfs/dbraw/zinc/79/86/36/1132798636.db2.gz BZKFJGLEKWBZEK-XLIONFOSSA-N 1 2 325.456 3.842 20 0 EHADLO COc1cc(NC2=C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(C)c[nH+]1 ZINC001176090429 1132832786 /nfs/dbraw/zinc/83/27/86/1132832786.db2.gz YQHZAACMGMEGNJ-CABCVRRESA-N 1 2 345.443 3.866 20 0 EHADLO C[Si](C)(C)c1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001169716248 1132833782 /nfs/dbraw/zinc/83/37/82/1132833782.db2.gz SNVFWOPUNJBKTO-UHFFFAOYSA-N 1 2 329.491 3.766 20 0 EHADLO C[Si](C)(C)c1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001169716248 1132833788 /nfs/dbraw/zinc/83/37/88/1132833788.db2.gz SNVFWOPUNJBKTO-UHFFFAOYSA-N 1 2 329.491 3.766 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001169743188 1132836981 /nfs/dbraw/zinc/83/69/81/1132836981.db2.gz CNUGFKJETPQRQH-IBGZPJMESA-N 1 2 331.362 3.683 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001169743188 1132836989 /nfs/dbraw/zinc/83/69/89/1132836989.db2.gz CNUGFKJETPQRQH-IBGZPJMESA-N 1 2 331.362 3.683 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(-c2ccsc2)sc1C(N)=O ZINC001176118517 1132851725 /nfs/dbraw/zinc/85/17/25/1132851725.db2.gz MVVKCLIRUOIPGI-UHFFFAOYSA-N 1 2 331.422 3.723 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(Br)cc(F)c1OC ZINC001176123127 1132853638 /nfs/dbraw/zinc/85/36/38/1132853638.db2.gz JNXBJSWHBRDAFN-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO CCOc1ccccc1OCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001169785328 1132856970 /nfs/dbraw/zinc/85/69/70/1132856970.db2.gz BABZORNJYKFGQK-UHFFFAOYSA-N 1 2 327.428 3.571 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(F)c1 ZINC001176198497 1132886458 /nfs/dbraw/zinc/88/64/58/1132886458.db2.gz NDUSDTDXUKOABI-UHFFFAOYSA-N 1 2 332.766 3.572 20 0 EHADLO CCCc1cc(NCc2cccc(C(=O)OCC)n2)nc(CCC)[nH+]1 ZINC001169868856 1132886508 /nfs/dbraw/zinc/88/65/08/1132886508.db2.gz IDRXFNAAQKVXBO-UHFFFAOYSA-N 1 2 342.443 3.565 20 0 EHADLO OC[C@@H](C[NH2+]c1cc2c3c(c1)CCCN3CCC2)Cc1ccccc1 ZINC001169903758 1132893787 /nfs/dbraw/zinc/89/37/87/1132893787.db2.gz KULVZCANSXVGJV-GOSISDBHSA-N 1 2 336.479 3.649 20 0 EHADLO OC[C@@H](CNc1cc2c3c(c1)CCC[NH+]3CCC2)Cc1ccccc1 ZINC001169903758 1132893793 /nfs/dbraw/zinc/89/37/93/1132893793.db2.gz KULVZCANSXVGJV-GOSISDBHSA-N 1 2 336.479 3.649 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)OCCCF)c1cccc(C(F)(F)F)c1 ZINC000767349862 1132987438 /nfs/dbraw/zinc/98/74/38/1132987438.db2.gz PPMMYIPUBIAKPI-CQSZACIVSA-N 1 2 335.341 3.991 20 0 EHADLO FC(F)(F)[C@@H]1CSCCCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001176871943 1133006725 /nfs/dbraw/zinc/00/67/25/1133006725.db2.gz QPBUKZZPBBJXIG-HNNXBMFYSA-N 1 2 341.402 3.742 20 0 EHADLO CN(Cc1sc2ccccc2c1Cl)C(=O)CCn1cc[nH+]c1 ZINC001176877998 1133007051 /nfs/dbraw/zinc/00/70/51/1133007051.db2.gz SQGCMNPBXQPPRJ-UHFFFAOYSA-N 1 2 333.844 3.800 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001204179446 1133009288 /nfs/dbraw/zinc/00/92/88/1133009288.db2.gz QRWUTPFDJJKXSG-SFHVURJKSA-N 1 2 333.472 3.572 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001204179446 1133009291 /nfs/dbraw/zinc/00/92/91/1133009291.db2.gz QRWUTPFDJJKXSG-SFHVURJKSA-N 1 2 333.472 3.572 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176964653 1133016152 /nfs/dbraw/zinc/01/61/52/1133016152.db2.gz IQWQXQMLUBHXLS-KRWDZBQOSA-N 1 2 346.434 3.793 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001176973327 1133017599 /nfs/dbraw/zinc/01/75/99/1133017599.db2.gz HPEIPZNNVNGPRU-MSOLQXFVSA-N 1 2 337.467 3.792 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177014388 1133021589 /nfs/dbraw/zinc/02/15/89/1133021589.db2.gz WWTAIBBYMRIWLC-FQEVSTJZSA-N 1 2 338.426 3.880 20 0 EHADLO CCCCC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000767764422 1133050071 /nfs/dbraw/zinc/05/00/71/1133050071.db2.gz YIVXZXIDZCCSBU-SFHVURJKSA-N 1 2 325.456 3.913 20 0 EHADLO CCCCC[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000767764422 1133050078 /nfs/dbraw/zinc/05/00/78/1133050078.db2.gz YIVXZXIDZCCSBU-SFHVURJKSA-N 1 2 325.456 3.913 20 0 EHADLO CN(C)c1cc(CSCc2ccn(-c3ccc(F)cc3)n2)cc[nH+]1 ZINC000767867670 1133061867 /nfs/dbraw/zinc/06/18/67/1133061867.db2.gz QRDGFHJIZMDUCF-UHFFFAOYSA-N 1 2 342.443 3.906 20 0 EHADLO CCOc1cc(F)cc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC001177525480 1133072795 /nfs/dbraw/zinc/07/27/95/1133072795.db2.gz WVYZRNSXNKBLNT-UHFFFAOYSA-N 1 2 325.387 3.700 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177623126 1133087351 /nfs/dbraw/zinc/08/73/51/1133087351.db2.gz VQNANZJLHBFBPA-SFHVURJKSA-N 1 2 336.391 3.742 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177623126 1133087355 /nfs/dbraw/zinc/08/73/55/1133087355.db2.gz VQNANZJLHBFBPA-SFHVURJKSA-N 1 2 336.391 3.742 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616427 1133087699 /nfs/dbraw/zinc/08/76/99/1133087699.db2.gz PGUYLSNHJYBRAG-HXUWFJFHSA-N 1 2 347.418 3.945 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616427 1133087705 /nfs/dbraw/zinc/08/77/05/1133087705.db2.gz PGUYLSNHJYBRAG-HXUWFJFHSA-N 1 2 347.418 3.945 20 0 EHADLO COc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1C ZINC001177626749 1133088897 /nfs/dbraw/zinc/08/88/97/1133088897.db2.gz CVWDFABWPRFTPZ-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO COc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cc1C ZINC001177626749 1133088902 /nfs/dbraw/zinc/08/89/02/1133088902.db2.gz CVWDFABWPRFTPZ-KRWDZBQOSA-N 1 2 328.412 3.508 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177627948 1133089224 /nfs/dbraw/zinc/08/92/24/1133089224.db2.gz LDBIWJAIIUVXLG-OAHLLOKOSA-N 1 2 345.786 3.677 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177627948 1133089227 /nfs/dbraw/zinc/08/92/27/1133089227.db2.gz LDBIWJAIIUVXLG-OAHLLOKOSA-N 1 2 345.786 3.677 20 0 EHADLO CC[N@H+](CCO)Cc1sc(Sc2ccccc2)nc1Cl ZINC000768140787 1133101417 /nfs/dbraw/zinc/10/14/17/1133101417.db2.gz KAMNPOCQIVQWOC-UHFFFAOYSA-N 1 2 328.890 3.762 20 0 EHADLO CC[N@@H+](CCO)Cc1sc(Sc2ccccc2)nc1Cl ZINC000768140787 1133101419 /nfs/dbraw/zinc/10/14/19/1133101419.db2.gz KAMNPOCQIVQWOC-UHFFFAOYSA-N 1 2 328.890 3.762 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(F)cccc2F)C1 ZINC001204206146 1133109496 /nfs/dbraw/zinc/10/94/96/1133109496.db2.gz RPXNGGHYFYXDTK-STQMWFEESA-N 1 2 340.414 3.700 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204206146 1133109499 /nfs/dbraw/zinc/10/94/99/1133109499.db2.gz RPXNGGHYFYXDTK-STQMWFEESA-N 1 2 340.414 3.700 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1c(Cl)nc2ccccn21 ZINC000768213764 1133113805 /nfs/dbraw/zinc/11/38/05/1133113805.db2.gz SLEUMECQTJWTAU-UHFFFAOYSA-N 1 2 333.794 3.638 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1c(Cl)nc2ccccn21 ZINC000768213764 1133113809 /nfs/dbraw/zinc/11/38/09/1133113809.db2.gz SLEUMECQTJWTAU-UHFFFAOYSA-N 1 2 333.794 3.638 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000768516142 1133153796 /nfs/dbraw/zinc/15/37/96/1133153796.db2.gz AWBQPZUZWWFSAF-UHFFFAOYSA-N 1 2 348.815 3.693 20 0 EHADLO Cc1cc(-c2ccc(CC(=O)Nc3cc[nH+]c4c3CCC4)cc2)ccn1 ZINC001178374400 1133160787 /nfs/dbraw/zinc/16/07/87/1133160787.db2.gz CWJLTZIJXOYQJA-UHFFFAOYSA-N 1 2 343.430 3.544 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(Cl)c(Br)c2)[nH]1 ZINC001178382343 1133161499 /nfs/dbraw/zinc/16/14/99/1133161499.db2.gz FKIYBAQCQLHCOU-MRVPVSSYSA-N 1 2 343.656 3.634 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(Cl)c(Br)c2)[nH]1 ZINC001178382344 1133161716 /nfs/dbraw/zinc/16/17/16/1133161716.db2.gz FKIYBAQCQLHCOU-QMMMGPOBSA-N 1 2 343.656 3.634 20 0 EHADLO CCc1ccc2c(c1)[C@@H]([NH2+]Cc1snc(OC)c1Cl)CCO2 ZINC001178443830 1133165398 /nfs/dbraw/zinc/16/53/98/1133165398.db2.gz CKNRCIYJQKBZDP-LBPRGKRZSA-N 1 2 338.860 3.981 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC=C(c2ccccc2Cl)CC1 ZINC000768883686 1133196610 /nfs/dbraw/zinc/19/66/10/1133196610.db2.gz YFZGDHNVYVCDBA-UHFFFAOYSA-N 1 2 337.810 3.917 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(C(N)=O)c1 ZINC000768926846 1133204977 /nfs/dbraw/zinc/20/49/77/1133204977.db2.gz OYDOIAXLHBKSLT-UHFFFAOYSA-N 1 2 337.448 3.541 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(C(N)=O)c1 ZINC000768926846 1133204983 /nfs/dbraw/zinc/20/49/83/1133204983.db2.gz OYDOIAXLHBKSLT-UHFFFAOYSA-N 1 2 337.448 3.541 20 0 EHADLO OCc1cc[nH+]c(NCc2cccc(Cl)c2Br)c1 ZINC001178992365 1133220073 /nfs/dbraw/zinc/22/00/73/1133220073.db2.gz OJKXNXYQPHSHLP-UHFFFAOYSA-N 1 2 327.609 3.602 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)[nH+]1 ZINC001179092747 1133228818 /nfs/dbraw/zinc/22/88/18/1133228818.db2.gz ZAYQXAKGNOMDRV-UHFFFAOYSA-N 1 2 343.818 3.507 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c[nH+]1 ZINC001179092747 1133228821 /nfs/dbraw/zinc/22/88/21/1133228821.db2.gz ZAYQXAKGNOMDRV-UHFFFAOYSA-N 1 2 343.818 3.507 20 0 EHADLO CN(CC1CC[NH+](Cc2coc(C3CC3)n2)CC1)C(=O)OC(C)(C)C ZINC000769335942 1133265133 /nfs/dbraw/zinc/26/51/33/1133265133.db2.gz WSRHQARHGMTVRO-UHFFFAOYSA-N 1 2 349.475 3.631 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H](F)c1ccccc1 ZINC000769377334 1133272908 /nfs/dbraw/zinc/27/29/08/1133272908.db2.gz PSUWDXJQOGKRDI-LJQANCHMSA-N 1 2 341.430 3.789 20 0 EHADLO CCc1cccc2cc(C[NH2+][C@@H](C(N)=O)c3ccc(Cl)cc3)oc21 ZINC001179793098 1133283596 /nfs/dbraw/zinc/28/35/96/1133283596.db2.gz FVZXICLDNMDCJX-QGZVFWFLSA-N 1 2 342.826 3.965 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(Br)nc1 ZINC001179809863 1133286101 /nfs/dbraw/zinc/28/61/01/1133286101.db2.gz GJAZHJVIAJYKTK-UHFFFAOYSA-N 1 2 349.207 3.965 20 0 EHADLO Cc1ccc(Cl)cc1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001179943769 1133303753 /nfs/dbraw/zinc/30/37/53/1133303753.db2.gz TUKFGOKGBLJQMA-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(OCC3CCCC3)CC2)c1Cl ZINC001179945663 1133304215 /nfs/dbraw/zinc/30/42/15/1133304215.db2.gz IUTJHFBWZIEHBI-UHFFFAOYSA-N 1 2 325.884 3.553 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2cnccc2o1 ZINC001179913994 1133306735 /nfs/dbraw/zinc/30/67/35/1133306735.db2.gz POXTVUXREFXVIA-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2cnccc2o1 ZINC001179913994 1133306740 /nfs/dbraw/zinc/30/67/40/1133306740.db2.gz POXTVUXREFXVIA-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO Cc1ccc(C)c(C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC001180043126 1133320778 /nfs/dbraw/zinc/32/07/78/1133320778.db2.gz DFCQVPOXBHTCRC-UHFFFAOYSA-N 1 2 333.435 3.971 20 0 EHADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001180080899 1133326101 /nfs/dbraw/zinc/32/61/01/1133326101.db2.gz IIFHALPCNDYIKM-JTQLQIEISA-N 1 2 326.849 3.722 20 0 EHADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001180080899 1133326105 /nfs/dbraw/zinc/32/61/05/1133326105.db2.gz IIFHALPCNDYIKM-JTQLQIEISA-N 1 2 326.849 3.722 20 0 EHADLO Cc1ccccc1[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769733561 1133329829 /nfs/dbraw/zinc/32/98/29/1133329829.db2.gz DPMWUWCWIQSGNI-PXNSSMCTSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccccc1[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769733561 1133329834 /nfs/dbraw/zinc/32/98/34/1133329834.db2.gz DPMWUWCWIQSGNI-PXNSSMCTSA-N 1 2 339.435 3.500 20 0 EHADLO CC[N@@H+](Cc1c(F)cc(Br)cc1F)C[C@H]1CCCO1 ZINC001180157547 1133340994 /nfs/dbraw/zinc/34/09/94/1133340994.db2.gz KHAYDLZUJRGFTD-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO CC[N@H+](Cc1c(F)cc(Br)cc1F)C[C@H]1CCCO1 ZINC001180157547 1133341001 /nfs/dbraw/zinc/34/10/01/1133341001.db2.gz KHAYDLZUJRGFTD-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO CC(C)(C)OC(=O)NCC(C)(C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001180301686 1133353390 /nfs/dbraw/zinc/35/33/90/1133353390.db2.gz PTTAMGCSKAMNBO-UHFFFAOYSA-N 1 2 344.459 3.835 20 0 EHADLO COc1ccccc1N1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001180301108 1133354053 /nfs/dbraw/zinc/35/40/53/1133354053.db2.gz IXVDIGHDEVAWIE-UHFFFAOYSA-N 1 2 348.450 3.962 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3C)CC2)cs1 ZINC001180368219 1133367401 /nfs/dbraw/zinc/36/74/01/1133367401.db2.gz JDLGPNWSQBBLOL-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180522073 1133381545 /nfs/dbraw/zinc/38/15/45/1133381545.db2.gz GKJVODDSZYLEEO-MRXNPFEDSA-N 1 2 335.407 3.646 20 0 EHADLO COc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1F ZINC000770070076 1133384213 /nfs/dbraw/zinc/38/42/13/1133384213.db2.gz NOZNBECHXBPSJJ-INIZCTEOSA-N 1 2 346.377 3.577 20 0 EHADLO COc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1F ZINC000770070076 1133384217 /nfs/dbraw/zinc/38/42/17/1133384217.db2.gz NOZNBECHXBPSJJ-INIZCTEOSA-N 1 2 346.377 3.577 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770427669 1133428504 /nfs/dbraw/zinc/42/85/04/1133428504.db2.gz SPSRKMWYVCEEHB-CYBMUJFWSA-N 1 2 327.815 3.691 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)C(C1CCCCC1)C1CCCCC1 ZINC001180984221 1133442258 /nfs/dbraw/zinc/44/22/58/1133442258.db2.gz YCLFLGDFHPUZHP-UHFFFAOYSA-N 1 2 331.504 3.856 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001181054014 1133444491 /nfs/dbraw/zinc/44/44/91/1133444491.db2.gz CYZSTQCFGSMFGV-MRXNPFEDSA-N 1 2 348.443 3.561 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001181054014 1133444495 /nfs/dbraw/zinc/44/44/95/1133444495.db2.gz CYZSTQCFGSMFGV-MRXNPFEDSA-N 1 2 348.443 3.561 20 0 EHADLO Cc1ccc(Nc2cncc(F)c2I)c(C)[nH+]1 ZINC001203366503 1133465945 /nfs/dbraw/zinc/46/59/45/1133465945.db2.gz BFNHXZDIMZBNKN-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1(c2ccc(Cl)cc2)CC1 ZINC000770922506 1133484596 /nfs/dbraw/zinc/48/45/96/1133484596.db2.gz QIMAHPZUHZRQPI-UHFFFAOYSA-N 1 2 326.783 3.763 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770931677 1133487136 /nfs/dbraw/zinc/48/71/36/1133487136.db2.gz VEABJWQDNPXCEQ-AWEZNQCLSA-N 1 2 326.371 3.786 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)C1c2ccccc2-c2ccccc21 ZINC001181910594 1133550381 /nfs/dbraw/zinc/55/03/81/1133550381.db2.gz PBMUVMGEPPZQOT-UHFFFAOYSA-N 1 2 326.399 3.743 20 0 EHADLO COc1ccc(SCC[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001181970170 1133562634 /nfs/dbraw/zinc/56/26/34/1133562634.db2.gz ALFDMRAJSJKWGD-AWEZNQCLSA-N 1 2 349.418 3.829 20 0 EHADLO COc1ccc(SCC[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001181970170 1133562641 /nfs/dbraw/zinc/56/26/41/1133562641.db2.gz ALFDMRAJSJKWGD-AWEZNQCLSA-N 1 2 349.418 3.829 20 0 EHADLO Brc1csc(C[NH+]2CCCC2)c1Br ZINC001250039001 1133589055 /nfs/dbraw/zinc/58/90/55/1133589055.db2.gz OOFZTCBQNGIYIN-UHFFFAOYSA-N 1 2 325.069 3.869 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1ncc(O)cc1C)c1ccccc1Cl ZINC001182217905 1133597431 /nfs/dbraw/zinc/59/74/31/1133597431.db2.gz FLHXVGMFYBOPAJ-MRXNPFEDSA-N 1 2 347.846 3.771 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1ccno1)c1ccccc1Cl ZINC001182224305 1133599821 /nfs/dbraw/zinc/59/98/21/1133599821.db2.gz ZMQOHNDWFMYHDU-LRDDRELGSA-N 1 2 335.835 3.588 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000771994599 1133625627 /nfs/dbraw/zinc/62/56/27/1133625627.db2.gz KKBJAMSPXVWQRY-UHFFFAOYSA-N 1 2 341.798 3.819 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170039719 1133659590 /nfs/dbraw/zinc/65/95/90/1133659590.db2.gz RLUFHNGZKWYOLJ-AWEZNQCLSA-N 1 2 342.842 3.970 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170039719 1133659592 /nfs/dbraw/zinc/65/95/92/1133659592.db2.gz RLUFHNGZKWYOLJ-AWEZNQCLSA-N 1 2 342.842 3.970 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2(F)CCCC2)C[C@@H](C)O1 ZINC000772232719 1133664076 /nfs/dbraw/zinc/66/40/76/1133664076.db2.gz VLAJLUMGHILZGL-HUUCEWRRSA-N 1 2 334.435 3.517 20 0 EHADLO O=C(COc1ccc(Cl)cc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182488148 1133694216 /nfs/dbraw/zinc/69/42/16/1133694216.db2.gz KUBZFMGQBUBVQT-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccnn2CCc2ccccc2)[C@@H](CC)CO1 ZINC001182755043 1133723863 /nfs/dbraw/zinc/72/38/63/1133723863.db2.gz PPDZVHSATPFWHB-ICSRJNTNSA-N 1 2 327.472 3.515 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccnn2CCc2ccccc2)[C@@H](CC)CO1 ZINC001182755043 1133723866 /nfs/dbraw/zinc/72/38/66/1133723866.db2.gz PPDZVHSATPFWHB-ICSRJNTNSA-N 1 2 327.472 3.515 20 0 EHADLO O=C(Cn1ccc2c1cccc2F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182819549 1133736861 /nfs/dbraw/zinc/73/68/61/1133736861.db2.gz AVDOTQWTLLOEEI-UHFFFAOYSA-N 1 2 334.354 3.605 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001170051658 1133765767 /nfs/dbraw/zinc/76/57/67/1133765767.db2.gz IKSKUKOCLYYHPP-HNNXBMFYSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001170051658 1133765772 /nfs/dbraw/zinc/76/57/72/1133765772.db2.gz IKSKUKOCLYYHPP-HNNXBMFYSA-N 1 2 342.842 3.968 20 0 EHADLO CC[C@@H](OC1CCCC1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000785942975 1133781018 /nfs/dbraw/zinc/78/10/18/1133781018.db2.gz WMISGICKJLUDPP-LJQANCHMSA-N 1 2 342.439 3.962 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001183244116 1133784160 /nfs/dbraw/zinc/78/41/60/1133784160.db2.gz QXGWRHYVYUGKAX-UHFFFAOYSA-N 1 2 339.464 3.812 20 0 EHADLO CCn1cc(C[N@@H+]2CCc3cc(C)cc(Br)c3C2)c(C)n1 ZINC001183300008 1133790105 /nfs/dbraw/zinc/79/01/05/1133790105.db2.gz BALCRLFISKYJLX-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO CCn1cc(C[N@H+]2CCc3cc(C)cc(Br)c3C2)c(C)n1 ZINC001183300008 1133790108 /nfs/dbraw/zinc/79/01/08/1133790108.db2.gz BALCRLFISKYJLX-UHFFFAOYSA-N 1 2 348.288 3.841 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC001183454103 1133809016 /nfs/dbraw/zinc/80/90/16/1133809016.db2.gz IYHVOMYEJMVBET-QUCCMNQESA-N 1 2 341.499 3.736 20 0 EHADLO Cc1nc(C2([NH2+]C[C@@H](O)c3ccc(Cl)cc3)CCCCC2)no1 ZINC000774664780 1133844166 /nfs/dbraw/zinc/84/41/66/1133844166.db2.gz UNDXDDIHULTXEP-OAHLLOKOSA-N 1 2 335.835 3.514 20 0 EHADLO CCC[C@@H](C[N@@H+]1CCc2ccc(Br)c(F)c2C1)OC ZINC001183876209 1133868127 /nfs/dbraw/zinc/86/81/27/1133868127.db2.gz JJCZPRVFUZSIPB-LBPRGKRZSA-N 1 2 330.241 3.761 20 0 EHADLO CCC[C@@H](C[N@H+]1CCc2ccc(Br)c(F)c2C1)OC ZINC001183876209 1133868132 /nfs/dbraw/zinc/86/81/32/1133868132.db2.gz JJCZPRVFUZSIPB-LBPRGKRZSA-N 1 2 330.241 3.761 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C1CC2(C1)CC(F)(F)C2 ZINC001184203624 1133906763 /nfs/dbraw/zinc/90/67/63/1133906763.db2.gz KBJAXKSZYIAXEK-UHFFFAOYSA-N 1 2 345.393 3.656 20 0 EHADLO CCc1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c(O)c1 ZINC000786817497 1133910276 /nfs/dbraw/zinc/91/02/76/1133910276.db2.gz YLWKNOBBBODEBO-UHFFFAOYSA-N 1 2 333.457 3.505 20 0 EHADLO COc1ccc(C(N)=[NH+]OCCCCc2ccccc2)cc1OC ZINC000774750346 1133940442 /nfs/dbraw/zinc/94/04/42/1133940442.db2.gz LCZKZJCXPPEIOF-UHFFFAOYSA-N 1 2 328.412 3.573 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(F)nc2C)cc1 ZINC000787130170 1133957207 /nfs/dbraw/zinc/95/72/07/1133957207.db2.gz QGVPHEDQWDXOPC-OAHLLOKOSA-N 1 2 343.446 3.530 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(F)nc2C)cc1 ZINC000787130170 1133957211 /nfs/dbraw/zinc/95/72/11/1133957211.db2.gz QGVPHEDQWDXOPC-OAHLLOKOSA-N 1 2 343.446 3.530 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001184704985 1133977787 /nfs/dbraw/zinc/97/77/87/1133977787.db2.gz QVCKKSGHHLHQBP-UHFFFAOYSA-N 1 2 332.835 3.967 20 0 EHADLO Cc1nonc1C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000787343420 1133999075 /nfs/dbraw/zinc/99/90/75/1133999075.db2.gz SSPZITWDZKJOMU-VIFPVBQESA-N 1 2 330.215 3.584 20 0 EHADLO Cc1nonc1C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000787343420 1133999078 /nfs/dbraw/zinc/99/90/78/1133999078.db2.gz SSPZITWDZKJOMU-VIFPVBQESA-N 1 2 330.215 3.584 20 0 EHADLO COc1ccccc1OCCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001184959375 1134007613 /nfs/dbraw/zinc/00/76/13/1134007613.db2.gz WOIIQLTZQOYQHT-UHFFFAOYSA-N 1 2 327.428 3.576 20 0 EHADLO CC(=O)N1CCCc2ccc(Nc3ccc[nH+]c3N3CCCC3)cc21 ZINC001184963889 1134008624 /nfs/dbraw/zinc/00/86/24/1134008624.db2.gz FVBSDGHINHJIIE-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO C[C@H]1C[N@H+](CCSc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000787487847 1134012858 /nfs/dbraw/zinc/01/28/58/1134012858.db2.gz AAZGKIIFWBSIQW-LBPRGKRZSA-N 1 2 338.473 3.762 20 0 EHADLO C[C@H]1C[N@@H+](CCSc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000787487847 1134012867 /nfs/dbraw/zinc/01/28/67/1134012867.db2.gz AAZGKIIFWBSIQW-LBPRGKRZSA-N 1 2 338.473 3.762 20 0 EHADLO C[C@@H](COc1cccc(F)c1)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185065111 1134021319 /nfs/dbraw/zinc/02/13/19/1134021319.db2.gz PGBVQRJCCPTSRU-ZDUSSCGKSA-N 1 2 336.370 3.901 20 0 EHADLO Cc1ccc(C[N@H+](Cc2c(Cl)ncnc2N(C)C)C(C)C)s1 ZINC000788013349 1134064359 /nfs/dbraw/zinc/06/43/59/1134064359.db2.gz QPNVDLHKXREMDD-UHFFFAOYSA-N 1 2 338.908 3.977 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2c(Cl)ncnc2N(C)C)C(C)C)s1 ZINC000788013349 1134064366 /nfs/dbraw/zinc/06/43/66/1134064366.db2.gz QPNVDLHKXREMDD-UHFFFAOYSA-N 1 2 338.908 3.977 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC000774911010 1134118111 /nfs/dbraw/zinc/11/81/11/1134118111.db2.gz DWGABKYQKMHAPF-CYBMUJFWSA-N 1 2 326.209 3.639 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000774911010 1134118114 /nfs/dbraw/zinc/11/81/14/1134118114.db2.gz DWGABKYQKMHAPF-CYBMUJFWSA-N 1 2 326.209 3.639 20 0 EHADLO COc1ccc(C[C@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001185987647 1134153409 /nfs/dbraw/zinc/15/34/09/1134153409.db2.gz OGXTUXBSOWBLRF-AWEZNQCLSA-N 1 2 325.456 3.986 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000746755287 1134159119 /nfs/dbraw/zinc/15/91/19/1134159119.db2.gz NHFRRZVBXMRURM-SWLSCSKDSA-N 1 2 333.476 3.816 20 0 EHADLO Cc1cc(N[C@H](c2cn[nH]n2)c2ccc(F)cc2)ccc1[NH+](C)C ZINC000788725512 1134163377 /nfs/dbraw/zinc/16/33/77/1134163377.db2.gz HPVNQGRGVFGEGR-SFHVURJKSA-N 1 2 325.391 3.520 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)Nc1c(F)cc(F)cc1F ZINC001186055566 1134166579 /nfs/dbraw/zinc/16/65/79/1134166579.db2.gz FAFNTQXTEOPEDW-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO O=C([C@@H](F)c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788837830 1134180573 /nfs/dbraw/zinc/18/05/73/1134180573.db2.gz UTTBXWLEJUJIBI-SFHVURJKSA-N 1 2 341.430 3.636 20 0 EHADLO Cc1nc(CC(C)C)oc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000789132916 1134222429 /nfs/dbraw/zinc/22/24/29/1134222429.db2.gz WZAZCOZJVRGAFT-UHFFFAOYSA-N 1 2 339.395 3.724 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001187497284 1134343418 /nfs/dbraw/zinc/34/34/18/1134343418.db2.gz ZNTDPUIUERTJJV-UHFFFAOYSA-N 1 2 329.375 3.599 20 0 EHADLO COCc1sccc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001273544857 1134362871 /nfs/dbraw/zinc/36/28/71/1134362871.db2.gz XTMLHLHKFJZDQG-UHFFFAOYSA-N 1 2 341.436 3.761 20 0 EHADLO Cc1cc(O)cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001170129983 1134380916 /nfs/dbraw/zinc/38/09/16/1134380916.db2.gz LYPQLNVFDLFYLI-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cc(O)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001170129983 1134380922 /nfs/dbraw/zinc/38/09/22/1134380922.db2.gz LYPQLNVFDLFYLI-IBGZPJMESA-N 1 2 342.414 3.833 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001187896562 1134394094 /nfs/dbraw/zinc/39/40/94/1134394094.db2.gz KTZTVGZQLQDRCQ-UHFFFAOYSA-N 1 2 330.775 3.949 20 0 EHADLO CC[C@@H](C)CS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790425222 1134415278 /nfs/dbraw/zinc/41/52/78/1134415278.db2.gz ZGPLGVWZKXJZMZ-CQSZACIVSA-N 1 2 348.468 3.641 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000790479334 1134423652 /nfs/dbraw/zinc/42/36/52/1134423652.db2.gz SZBSBERXVGHJOG-WBTMPAOCSA-N 1 2 346.525 3.896 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1Cn1[nH]c(/C=C\c2ccccc2)nc1=S ZINC000790479334 1134423655 /nfs/dbraw/zinc/42/36/55/1134423655.db2.gz SZBSBERXVGHJOG-WBTMPAOCSA-N 1 2 346.525 3.896 20 0 EHADLO Cc1[nH]ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001188161719 1134434794 /nfs/dbraw/zinc/43/47/94/1134434794.db2.gz COEOOFUVLKZYPU-HNNXBMFYSA-N 1 2 340.254 3.663 20 0 EHADLO O=C1Nc2ccccc2S[C@@H]1CCSc1[nH+]cc2ccccn21 ZINC001188155235 1134439800 /nfs/dbraw/zinc/43/98/00/1134439800.db2.gz RWCWKTNVNYUZAN-OAHLLOKOSA-N 1 2 341.461 3.930 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1(c2ccccc2)CC1 ZINC000791260207 1134523197 /nfs/dbraw/zinc/52/31/97/1134523197.db2.gz JQQXAPBPLDFTOR-UHFFFAOYSA-N 1 2 332.403 3.956 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCc1cccs1 ZINC000791277459 1134526200 /nfs/dbraw/zinc/52/62/00/1134526200.db2.gz QMOGDOZDOWJYBR-UHFFFAOYSA-N 1 2 326.421 3.918 20 0 EHADLO Cc1nc(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cs1 ZINC000791381463 1134537859 /nfs/dbraw/zinc/53/78/59/1134537859.db2.gz HIBKZUBSWSILGO-UHFFFAOYSA-N 1 2 341.436 3.622 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000791382017 1134538181 /nfs/dbraw/zinc/53/81/81/1134538181.db2.gz JWXXDKKEGUBUMR-KXBFYZLASA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)OCCC(C)C ZINC000791350387 1134538995 /nfs/dbraw/zinc/53/89/95/1134538995.db2.gz BTFGZKRRYAUMCY-MRXNPFEDSA-N 1 2 330.428 3.675 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(F)c1F ZINC000791359648 1134540389 /nfs/dbraw/zinc/54/03/89/1134540389.db2.gz LDMKVPQDYMALNY-UHFFFAOYSA-N 1 2 328.318 3.816 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C\c1cccc(O)c1 ZINC000791405244 1134546335 /nfs/dbraw/zinc/54/63/35/1134546335.db2.gz LZVCTDJWGMHWDJ-YVMONPNESA-N 1 2 334.375 3.643 20 0 EHADLO Cc1nc(Cl)sc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791408208 1134546827 /nfs/dbraw/zinc/54/68/27/1134546827.db2.gz ZTFOYFCNDDUMAL-UHFFFAOYSA-N 1 2 347.827 3.956 20 0 EHADLO CCCC(O)(CCC)CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791415010 1134548396 /nfs/dbraw/zinc/54/83/96/1134548396.db2.gz XEMMPZSUXUZDDB-UHFFFAOYSA-N 1 2 344.455 3.945 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001189285421 1134561244 /nfs/dbraw/zinc/56/12/44/1134561244.db2.gz LYIRAXTXPRJTRG-UHFFFAOYSA-N 1 2 337.398 3.900 20 0 EHADLO Nc1cc(COC(=O)COc2ccc(Cl)c3ccccc23)cc[nH+]1 ZINC000791546226 1134566926 /nfs/dbraw/zinc/56/69/26/1134566926.db2.gz PNEKWOFVHMLGCC-UHFFFAOYSA-N 1 2 342.782 3.593 20 0 EHADLO CCCc1ccc(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)s1 ZINC001189506647 1134593552 /nfs/dbraw/zinc/59/35/52/1134593552.db2.gz UCSFTFNRPRDPBW-UHFFFAOYSA-N 1 2 343.496 3.783 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CC[C@@H](c2ccccc2F)C1 ZINC001190096946 1134654883 /nfs/dbraw/zinc/65/48/83/1134654883.db2.gz FSZIQCOIXOEZSQ-OAHLLOKOSA-N 1 2 335.382 3.641 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CCc2c(oc3ccccc32)C1 ZINC001190098763 1134655038 /nfs/dbraw/zinc/65/50/38/1134655038.db2.gz ZMIZIHRXXCKHMS-UHFFFAOYSA-N 1 2 343.386 3.817 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)n1)c1ccccc1-n1cc[nH+]c1 ZINC001190074228 1134658348 /nfs/dbraw/zinc/65/83/48/1134658348.db2.gz AJQYMHUOJZTLHJ-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)Cc3ccccc3F)C2=O)c1 ZINC001190406226 1134692449 /nfs/dbraw/zinc/69/24/49/1134692449.db2.gz DLKXNXPWHYDWFB-GOSISDBHSA-N 1 2 344.405 3.901 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3F)C2=O)c1 ZINC001190406226 1134692453 /nfs/dbraw/zinc/69/24/53/1134692453.db2.gz DLKXNXPWHYDWFB-GOSISDBHSA-N 1 2 344.405 3.901 20 0 EHADLO CC[C@@H]1CN(CC)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001170272531 1134729334 /nfs/dbraw/zinc/72/93/34/1134729334.db2.gz IPDOZOFWUMNNPD-OAHLLOKOSA-N 1 2 331.287 3.788 20 0 EHADLO CC[C@@H]1CN(CC)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001170272531 1134729337 /nfs/dbraw/zinc/72/93/37/1134729337.db2.gz IPDOZOFWUMNNPD-OAHLLOKOSA-N 1 2 331.287 3.788 20 0 EHADLO CCCCNC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001190640662 1134731077 /nfs/dbraw/zinc/73/10/77/1134731077.db2.gz DVJXMINNYFHNTG-UHFFFAOYSA-N 1 2 341.858 3.543 20 0 EHADLO CCS(=O)(=O)c1ccc(CNc2cc3cc(F)ccc3c[nH+]2)cc1 ZINC001170322223 1134747261 /nfs/dbraw/zinc/74/72/61/1134747261.db2.gz SICNRAFSJDRRFN-UHFFFAOYSA-N 1 2 344.411 3.780 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001170341789 1134758068 /nfs/dbraw/zinc/75/80/68/1134758068.db2.gz FWXGCUIUFKPENM-IBGZPJMESA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001170341789 1134758074 /nfs/dbraw/zinc/75/80/74/1134758074.db2.gz FWXGCUIUFKPENM-IBGZPJMESA-N 1 2 329.415 3.977 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](F)CC1CCCCC1 ZINC000792839909 1134805440 /nfs/dbraw/zinc/80/54/40/1134805440.db2.gz QKGONROMPJHJGJ-LJQANCHMSA-N 1 2 348.462 3.766 20 0 EHADLO COCCCOc1ccccc1NCc1c[nH+]c2ccc(C)cn12 ZINC000157804436 1134851530 /nfs/dbraw/zinc/85/15/30/1134851530.db2.gz ULHPFRWRNGMTNN-UHFFFAOYSA-N 1 2 325.412 3.670 20 0 EHADLO C[C@@H](C[NH2+][C@H](CCc1ccccc1)C(F)F)NC(=O)OC(C)(C)C ZINC000793216291 1134874320 /nfs/dbraw/zinc/87/43/20/1134874320.db2.gz XHXIAJOYPQMKRN-DZGCQCFKSA-N 1 2 342.430 3.756 20 0 EHADLO Cc1cc(C)nc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC001191542236 1134882494 /nfs/dbraw/zinc/88/24/94/1134882494.db2.gz ZNBIYTXCWXWRKS-UHFFFAOYSA-N 1 2 329.875 3.670 20 0 EHADLO C/C(=C\C(=O)OCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000793255541 1134889898 /nfs/dbraw/zinc/88/98/98/1134889898.db2.gz MEZMOEJCKFXPQH-FMIVXFBMSA-N 1 2 338.329 3.628 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCc1csc2ccccc12 ZINC000793252171 1134890065 /nfs/dbraw/zinc/89/00/65/1134890065.db2.gz XCDHRBMOATUQCU-UHFFFAOYSA-N 1 2 328.437 3.743 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001191653539 1134899713 /nfs/dbraw/zinc/89/97/13/1134899713.db2.gz QWPXIVYWLHEMSB-HNNXBMFYSA-N 1 2 345.487 3.528 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001191653539 1134899721 /nfs/dbraw/zinc/89/97/21/1134899721.db2.gz QWPXIVYWLHEMSB-HNNXBMFYSA-N 1 2 345.487 3.528 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCOCC1 ZINC000793391182 1134922800 /nfs/dbraw/zinc/92/28/00/1134922800.db2.gz NAHWPLXWAGKVOR-MRXNPFEDSA-N 1 2 340.423 3.609 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2csc(CCc3ccccc3)n2)n(C)n1 ZINC000793534312 1134949774 /nfs/dbraw/zinc/94/97/74/1134949774.db2.gz OULXUHFUAJSJAP-OAHLLOKOSA-N 1 2 340.496 3.821 20 0 EHADLO COc1ccc(-c2cc(C(=O)Nc3ccn4cc[nH+]c4c3)ccn2)cc1 ZINC001192126980 1134968652 /nfs/dbraw/zinc/96/86/52/1134968652.db2.gz UPCFITWLHJHLQK-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1)Nc1cc[nH+]c(N2CCCC2)c1 ZINC001192149622 1134971575 /nfs/dbraw/zinc/97/15/75/1134971575.db2.gz WYHSDCKXCQWROO-UHFFFAOYSA-N 1 2 348.353 3.927 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CC(C)C)CC1 ZINC000793655381 1134976584 /nfs/dbraw/zinc/97/65/84/1134976584.db2.gz AWBIPZFNTRFXSO-UHFFFAOYSA-N 1 2 349.425 3.908 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)s1 ZINC001192644554 1135042765 /nfs/dbraw/zinc/04/27/65/1135042765.db2.gz SZTJACSEHBGBDC-HNNXBMFYSA-N 1 2 344.505 3.525 20 0 EHADLO CSc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)s1 ZINC001192644554 1135042767 /nfs/dbraw/zinc/04/27/67/1135042767.db2.gz SZTJACSEHBGBDC-HNNXBMFYSA-N 1 2 344.505 3.525 20 0 EHADLO Cc1cncc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC001203173594 1135053000 /nfs/dbraw/zinc/05/30/00/1135053000.db2.gz MFUYPCMALQUJCX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC001203173594 1135053006 /nfs/dbraw/zinc/05/30/06/1135053006.db2.gz MFUYPCMALQUJCX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccc([S@](C)=O)cc1 ZINC001192813978 1135057700 /nfs/dbraw/zinc/05/77/00/1135057700.db2.gz FTLKLHHBIYRPAS-UZJPJQLHSA-N 1 2 343.279 3.977 20 0 EHADLO C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccc([S@](C)=O)cc1 ZINC001192813976 1135057728 /nfs/dbraw/zinc/05/77/28/1135057728.db2.gz FTLKLHHBIYRPAS-CWKPULSASA-N 1 2 343.279 3.977 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001193062596 1135093358 /nfs/dbraw/zinc/09/33/58/1135093358.db2.gz RCUZCYFWZKHVHW-HOTGVXAUSA-N 1 2 335.467 3.793 20 0 EHADLO Fc1ccc(Br)c2c1C[N@H+](CC1CC(F)(F)C1)CC2 ZINC001193189100 1135116144 /nfs/dbraw/zinc/11/61/44/1135116144.db2.gz VPCMFTHHKBANDB-UHFFFAOYSA-N 1 2 334.179 3.992 20 0 EHADLO Fc1ccc(Br)c2c1C[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001193189100 1135116147 /nfs/dbraw/zinc/11/61/47/1135116147.db2.gz VPCMFTHHKBANDB-UHFFFAOYSA-N 1 2 334.179 3.992 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccnc(Oc3ccccc3)c2)c[nH+]1 ZINC001129713811 1135142822 /nfs/dbraw/zinc/14/28/22/1135142822.db2.gz GHVVLTILYYHTLJ-UHFFFAOYSA-N 1 2 333.391 3.816 20 0 EHADLO C[C@@H]1C[C@@H]1N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001129766016 1135153818 /nfs/dbraw/zinc/15/38/18/1135153818.db2.gz QFOARUYUZITPDG-UZLBHIALSA-N 1 2 331.419 3.987 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(Cl)cc1)OC1CCCC1 ZINC001193584074 1135155023 /nfs/dbraw/zinc/15/50/23/1135155023.db2.gz RPPIQXYCDLAZMA-UHFFFAOYSA-N 1 2 333.819 3.754 20 0 EHADLO Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001129857951 1135172991 /nfs/dbraw/zinc/17/29/91/1135172991.db2.gz GNASAOQIDSLKCT-UHFFFAOYSA-N 1 2 339.370 3.731 20 0 EHADLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001193873457 1135200133 /nfs/dbraw/zinc/20/01/33/1135200133.db2.gz VGLYTMNJGHISII-UHFFFAOYSA-N 1 2 337.370 3.661 20 0 EHADLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001193873457 1135200136 /nfs/dbraw/zinc/20/01/36/1135200136.db2.gz VGLYTMNJGHISII-UHFFFAOYSA-N 1 2 337.370 3.661 20 0 EHADLO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC001194308323 1135254681 /nfs/dbraw/zinc/25/46/81/1135254681.db2.gz ZUQNOERJAQZSLQ-LBPRGKRZSA-N 1 2 348.231 3.854 20 0 EHADLO OCC[C@@H]1CCCCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC001194308323 1135254683 /nfs/dbraw/zinc/25/46/83/1135254683.db2.gz ZUQNOERJAQZSLQ-LBPRGKRZSA-N 1 2 348.231 3.854 20 0 EHADLO Cc1ccc(OC(=O)NCc2c[nH+]cn2Cc2ccc(F)cc2)cc1 ZINC001194481682 1135277001 /nfs/dbraw/zinc/27/70/01/1135277001.db2.gz XBEJLJAOZJMEQV-UHFFFAOYSA-N 1 2 339.370 3.668 20 0 EHADLO CCOC1CC([N@H+](C)Cc2c(F)ccc(Br)c2F)C1 ZINC001194763155 1135318843 /nfs/dbraw/zinc/31/88/43/1135318843.db2.gz BOQSGAXZGOHTFE-UHFFFAOYSA-N 1 2 334.204 3.727 20 0 EHADLO CCOC1CC([N@@H+](C)Cc2c(F)ccc(Br)c2F)C1 ZINC001194763155 1135318847 /nfs/dbraw/zinc/31/88/47/1135318847.db2.gz BOQSGAXZGOHTFE-UHFFFAOYSA-N 1 2 334.204 3.727 20 0 EHADLO CCCc1nc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)cs1 ZINC000805761672 1135329124 /nfs/dbraw/zinc/32/91/24/1135329124.db2.gz DRNDSDDENGAKCZ-HNNXBMFYSA-N 1 2 339.505 3.538 20 0 EHADLO CCCc1nc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)cs1 ZINC000805761672 1135329128 /nfs/dbraw/zinc/32/91/28/1135329128.db2.gz DRNDSDDENGAKCZ-HNNXBMFYSA-N 1 2 339.505 3.538 20 0 EHADLO C[C@H]1CN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)Cc2ccccc21 ZINC001194885626 1135335058 /nfs/dbraw/zinc/33/50/58/1135335058.db2.gz GJWSFSBRFUBLLT-HNNXBMFYSA-N 1 2 331.419 3.847 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000805825729 1135336789 /nfs/dbraw/zinc/33/67/89/1135336789.db2.gz DIMVKQLPQJBBKT-LBPRGKRZSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000805825729 1135336793 /nfs/dbraw/zinc/33/67/93/1135336793.db2.gz DIMVKQLPQJBBKT-LBPRGKRZSA-N 1 2 331.243 3.704 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC001194927299 1135341896 /nfs/dbraw/zinc/34/18/96/1135341896.db2.gz LYCUHGMNEQTOHQ-UHFFFAOYSA-N 1 2 339.361 3.796 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C(F)F)nc2)c1 ZINC001194887257 1135343317 /nfs/dbraw/zinc/34/33/17/1135343317.db2.gz MNHATKVNLORAPY-UHFFFAOYSA-N 1 2 328.322 3.672 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000805922572 1135346850 /nfs/dbraw/zinc/34/68/50/1135346850.db2.gz JGCBQAZUQSRHPG-UHFFFAOYSA-N 1 2 344.430 3.838 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC001137934978 1135443221 /nfs/dbraw/zinc/44/32/21/1135443221.db2.gz YHWXDGKEMRICMX-ZDUSSCGKSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC001137934978 1135443223 /nfs/dbraw/zinc/44/32/23/1135443223.db2.gz YHWXDGKEMRICMX-ZDUSSCGKSA-N 1 2 325.305 3.896 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1F ZINC001195622463 1135444043 /nfs/dbraw/zinc/44/40/43/1135444043.db2.gz KROBINJRVNAMRF-OAHLLOKOSA-N 1 2 327.359 3.822 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)on1 ZINC001195766830 1135462806 /nfs/dbraw/zinc/46/28/06/1135462806.db2.gz GSGSWYDBVIEJNZ-AAEUAGOBSA-N 1 2 347.846 3.625 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)on1 ZINC001195766830 1135462808 /nfs/dbraw/zinc/46/28/08/1135462808.db2.gz GSGSWYDBVIEJNZ-AAEUAGOBSA-N 1 2 347.846 3.625 20 0 EHADLO C[NH+](C)[C@@H](c1nc(CC2(c3ccccc3)CC2)no1)c1ccccc1 ZINC000867137971 1135481755 /nfs/dbraw/zinc/48/17/55/1135481755.db2.gz DMVRGZMWRBYLRJ-LJQANCHMSA-N 1 2 333.435 3.995 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000806776763 1135488313 /nfs/dbraw/zinc/48/83/13/1135488313.db2.gz POGAIXINCSTBIY-AWEZNQCLSA-N 1 2 337.345 3.725 20 0 EHADLO Cc1sc(Br)cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001195949208 1135499000 /nfs/dbraw/zinc/49/90/00/1135499000.db2.gz UMRRDTHKCSDKGD-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c(N(C)C)[nH+]1 ZINC000775683829 1135505315 /nfs/dbraw/zinc/50/53/15/1135505315.db2.gz WAXRLDILAZVZDO-RYUDHWBXSA-N 1 2 344.381 3.651 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc(Cl)nc2)no1)c1ccccc1 ZINC000867164092 1135525367 /nfs/dbraw/zinc/52/53/67/1135525367.db2.gz LIEABFJNRCKWDR-QGZVFWFLSA-N 1 2 342.830 3.750 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc(Cl)nc2)no1)c1ccccc1 ZINC000867164092 1135525374 /nfs/dbraw/zinc/52/53/74/1135525374.db2.gz LIEABFJNRCKWDR-QGZVFWFLSA-N 1 2 342.830 3.750 20 0 EHADLO CN1c2ccccc2C[N@H+](C[C@H]2CCC3(CCCCCC3)O2)CC1=O ZINC001196208466 1135532742 /nfs/dbraw/zinc/53/27/42/1135532742.db2.gz PRVZHYAAHBXIGN-GOSISDBHSA-N 1 2 342.483 3.737 20 0 EHADLO CN1c2ccccc2C[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)CC1=O ZINC001196208466 1135532747 /nfs/dbraw/zinc/53/27/47/1135532747.db2.gz PRVZHYAAHBXIGN-GOSISDBHSA-N 1 2 342.483 3.737 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C(F)=C3CCC3)n2)C1 ZINC000867181997 1135578043 /nfs/dbraw/zinc/57/80/43/1135578043.db2.gz RBMIYHNHNFSGFM-MRXNPFEDSA-N 1 2 343.402 3.816 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C(F)=C3CCC3)n2)C1 ZINC000867181997 1135578049 /nfs/dbraw/zinc/57/80/49/1135578049.db2.gz RBMIYHNHNFSGFM-MRXNPFEDSA-N 1 2 343.402 3.816 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181683 1135578189 /nfs/dbraw/zinc/57/81/89/1135578189.db2.gz NGYPSLFFROTQRY-WKOYGUFESA-N 1 2 327.428 3.765 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181683 1135578194 /nfs/dbraw/zinc/57/81/94/1135578194.db2.gz NGYPSLFFROTQRY-WKOYGUFESA-N 1 2 327.428 3.765 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186033 1135587093 /nfs/dbraw/zinc/58/70/93/1135587093.db2.gz FRAOIOOJAQSGRM-QRMGNNRRSA-N 1 2 327.428 3.765 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867186033 1135587099 /nfs/dbraw/zinc/58/70/99/1135587099.db2.gz FRAOIOOJAQSGRM-QRMGNNRRSA-N 1 2 327.428 3.765 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1CC2(CCCC2)CC1=O ZINC000747451550 1135609345 /nfs/dbraw/zinc/60/93/45/1135609345.db2.gz GSWIWKIKFGZLBZ-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1CC2(CCCC2)CC1=O ZINC000747451550 1135609347 /nfs/dbraw/zinc/60/93/47/1135609347.db2.gz GSWIWKIKFGZLBZ-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO FCc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2F)cc1 ZINC001196961814 1135634781 /nfs/dbraw/zinc/63/47/81/1135634781.db2.gz MGTOMZXCISZXHL-UHFFFAOYSA-N 1 2 346.421 3.634 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1cc(F)c(C(F)(F)F)cc1F ZINC000808260947 1135643548 /nfs/dbraw/zinc/64/35/48/1135643548.db2.gz QOUHJKIZCSZYQW-UHFFFAOYSA-N 1 2 345.271 3.620 20 0 EHADLO CO[C@H](C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177892 1135657228 /nfs/dbraw/zinc/65/72/28/1135657228.db2.gz XZMVSVCRGZSHLE-DLBZAZTESA-N 1 2 337.435 3.709 20 0 EHADLO CO[C@H](C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177892 1135657230 /nfs/dbraw/zinc/65/72/30/1135657230.db2.gz XZMVSVCRGZSHLE-DLBZAZTESA-N 1 2 337.435 3.709 20 0 EHADLO Cn1ncc(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)n1 ZINC000808418264 1135665529 /nfs/dbraw/zinc/66/55/29/1135665529.db2.gz MNEUWYKNKMORAC-UHFFFAOYSA-N 1 2 346.793 3.690 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1ccccc1C(F)(F)F ZINC001197252191 1135665633 /nfs/dbraw/zinc/66/56/33/1135665633.db2.gz DTMXQKRFLXTVHW-UHFFFAOYSA-N 1 2 342.390 3.621 20 0 EHADLO Cc1cnc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC001197289936 1135674486 /nfs/dbraw/zinc/67/44/86/1135674486.db2.gz YDWSEFRQOYNXIJ-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Fc1cc(F)c(F)c(NC(=S)Nc2ccn3cc[nH+]c3c2)c1F ZINC001197373884 1135687077 /nfs/dbraw/zinc/68/70/77/1135687077.db2.gz WTIJHZPBDGVWFX-UHFFFAOYSA-N 1 2 340.305 3.700 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001197718968 1135722998 /nfs/dbraw/zinc/72/29/98/1135722998.db2.gz BYOKJTVEMRAYCV-DZGCQCFKSA-N 1 2 345.336 3.657 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001197718968 1135723001 /nfs/dbraw/zinc/72/30/01/1135723001.db2.gz BYOKJTVEMRAYCV-DZGCQCFKSA-N 1 2 345.336 3.657 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726239 1135723785 /nfs/dbraw/zinc/72/37/85/1135723785.db2.gz UYVMSNKOFMNGDX-LLGFUMIMSA-N 1 2 348.450 3.618 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000808726239 1135723789 /nfs/dbraw/zinc/72/37/89/1135723789.db2.gz UYVMSNKOFMNGDX-LLGFUMIMSA-N 1 2 348.450 3.618 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001198000311 1135760441 /nfs/dbraw/zinc/76/04/41/1135760441.db2.gz GUTJMYCXLXOJAG-CQSZACIVSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001198000311 1135760444 /nfs/dbraw/zinc/76/04/44/1135760444.db2.gz GUTJMYCXLXOJAG-CQSZACIVSA-N 1 2 329.271 3.873 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2c(ccnc2Cl)s1 ZINC001131515985 1135760924 /nfs/dbraw/zinc/76/09/24/1135760924.db2.gz GVYNNFGXQANQFW-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO Cc1ccccc1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001198420775 1135813127 /nfs/dbraw/zinc/81/31/27/1135813127.db2.gz OSLIRJNOKAIQSF-MRXNPFEDSA-N 1 2 327.453 3.630 20 0 EHADLO CC(C)c1nsc(C[NH2+][C@@]2(CO)CC[C@@H](C)c3ccccc32)n1 ZINC001198694339 1135844756 /nfs/dbraw/zinc/84/47/56/1135844756.db2.gz CFYUMBZYMSCUEL-FZKQIMNGSA-N 1 2 331.485 3.536 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)c1 ZINC001131733163 1135845959 /nfs/dbraw/zinc/84/59/59/1135845959.db2.gz XHRXQQWEZSGJKG-KRWDZBQOSA-N 1 2 344.499 3.556 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538417 1135849021 /nfs/dbraw/zinc/84/90/21/1135849021.db2.gz FMBQUQYSTOLFDF-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538417 1135849026 /nfs/dbraw/zinc/84/90/26/1135849026.db2.gz FMBQUQYSTOLFDF-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@]1(O)C(F)(F)F ZINC001137957690 1135861666 /nfs/dbraw/zinc/86/16/66/1135861666.db2.gz JAESJGPHCPEUSA-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@]1(O)C(F)(F)F ZINC001137957690 1135861670 /nfs/dbraw/zinc/86/16/70/1135861670.db2.gz JAESJGPHCPEUSA-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1ccc(NCc2nc3ccccn3c2Br)c(C)[nH+]1 ZINC000809627636 1135862421 /nfs/dbraw/zinc/86/24/21/1135862421.db2.gz DLYVQBDODAGEBA-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO Fc1cc(F)c(N2CC[NH+](Cc3ccc4occc4c3)CC2)nc1F ZINC000809654188 1135865807 /nfs/dbraw/zinc/86/58/07/1135865807.db2.gz UGUAKAYAENPVLI-UHFFFAOYSA-N 1 2 347.340 3.567 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810093014 1135923419 /nfs/dbraw/zinc/92/34/19/1135923419.db2.gz KEYLKICRAWRLJD-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810093014 1135923422 /nfs/dbraw/zinc/92/34/22/1135923422.db2.gz KEYLKICRAWRLJD-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000810231835 1135941945 /nfs/dbraw/zinc/94/19/45/1135941945.db2.gz OZRJGEYPQZZIPX-OAHLLOKOSA-N 1 2 326.787 3.967 20 0 EHADLO c1cc(-c2ccccc2)oc1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000105421145 1135946428 /nfs/dbraw/zinc/94/64/28/1135946428.db2.gz LNXXOJKIWMNPAR-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO O=C(OCc1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776080589 1135949408 /nfs/dbraw/zinc/94/94/08/1135949408.db2.gz HLVGTLSOKLOBGS-UHFFFAOYSA-N 1 2 344.317 3.831 20 0 EHADLO CC[C@H]1CCC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810587201 1135978761 /nfs/dbraw/zinc/97/87/61/1135978761.db2.gz LOJOHCQASPPSKH-LPHOPBHVSA-N 1 2 326.440 3.986 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001201098987 1135982992 /nfs/dbraw/zinc/98/29/92/1135982992.db2.gz IUGFFVPEBKWVDI-HNNXBMFYSA-N 1 2 333.844 3.585 20 0 EHADLO C[C@H]1CCC[C@@H](COC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810655652 1135986449 /nfs/dbraw/zinc/98/64/49/1135986449.db2.gz VPZQSRBLJPWMAQ-FUHWJXTLSA-N 1 2 326.440 3.843 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC001201190720 1135993938 /nfs/dbraw/zinc/99/39/38/1135993938.db2.gz SKGCCVIADWQBSC-UHFFFAOYSA-N 1 2 342.493 3.851 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(F)CCCCC1 ZINC000810716181 1135996209 /nfs/dbraw/zinc/99/62/09/1135996209.db2.gz DYEJCTZGBMAUOM-OAHLLOKOSA-N 1 2 333.451 3.598 20 0 EHADLO COc1ccc(-n2nc(C(C)(C)C)cc2Nc2ccc(N)[nH+]c2)cc1 ZINC001201278267 1136003016 /nfs/dbraw/zinc/00/30/16/1136003016.db2.gz GYYDZWZGNGHHRV-UHFFFAOYSA-N 1 2 337.427 3.899 20 0 EHADLO COc1cc(OC(F)(F)F)ccc1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001201356283 1136011133 /nfs/dbraw/zinc/01/11/33/1136011133.db2.gz FJBNYPVNQDUGJP-UHFFFAOYSA-N 1 2 337.301 3.823 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)CCCC3)CCO2 ZINC001201919977 1136074703 /nfs/dbraw/zinc/07/47/03/1136074703.db2.gz KORCILRURFTPGQ-CQSZACIVSA-N 1 2 330.453 3.644 20 0 EHADLO O=C(Nc1ccccc1Br)Nc1cccc2[nH+]ccn21 ZINC001201964530 1136079071 /nfs/dbraw/zinc/07/90/71/1136079071.db2.gz ZGAIZLWJIOAIJX-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO COc1ccccc1NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001202121042 1136096767 /nfs/dbraw/zinc/09/67/67/1136096767.db2.gz MEKWQQSBWTUFBX-UHFFFAOYSA-N 1 2 336.395 3.545 20 0 EHADLO OC1(c2ccc(Cl)cc2)C[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000811508747 1136102500 /nfs/dbraw/zinc/10/25/00/1136102500.db2.gz ALMIEPCWKAQBHK-UHFFFAOYSA-N 1 2 339.769 3.645 20 0 EHADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cc[nH+]cc1F ZINC000776263645 1136114224 /nfs/dbraw/zinc/11/42/24/1136114224.db2.gz FXARKUZMZCNBHA-UHFFFAOYSA-N 1 2 348.784 3.600 20 0 EHADLO CC(C)c1cnc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC001202233200 1136117863 /nfs/dbraw/zinc/11/78/63/1136117863.db2.gz ISVDNOPZQYHCQV-KBPBESRZSA-N 1 2 346.500 3.887 20 0 EHADLO Fc1ccc2c(c1)onc2C1CC[NH+](Cn2cccnc2=S)CC1 ZINC000811780834 1136135075 /nfs/dbraw/zinc/13/50/75/1136135075.db2.gz REXOXXRHIWQPLN-UHFFFAOYSA-N 1 2 344.415 3.730 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001202375650 1136136036 /nfs/dbraw/zinc/13/60/36/1136136036.db2.gz FPKIAHUSTFSYAD-UHFFFAOYSA-N 1 2 345.830 3.816 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000811762484 1136137274 /nfs/dbraw/zinc/13/72/74/1136137274.db2.gz RXWYONGMWSFKBZ-CQSZACIVSA-N 1 2 339.361 3.569 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000811762484 1136137275 /nfs/dbraw/zinc/13/72/75/1136137275.db2.gz RXWYONGMWSFKBZ-CQSZACIVSA-N 1 2 339.361 3.569 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000811858810 1136147519 /nfs/dbraw/zinc/14/75/19/1136147519.db2.gz OXEFIBDPYXLMEM-GOSISDBHSA-N 1 2 326.444 3.541 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000747779824 1136191233 /nfs/dbraw/zinc/19/12/33/1136191233.db2.gz FSAMBFVOPODMDS-UHFFFAOYSA-N 1 2 330.428 3.620 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000747783386 1136194776 /nfs/dbraw/zinc/19/47/76/1136194776.db2.gz NPCCRIQNYBSAJO-UHFFFAOYSA-N 1 2 344.317 3.848 20 0 EHADLO Cn1c[nH+]cc1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000747782689 1136196139 /nfs/dbraw/zinc/19/61/39/1136196139.db2.gz QRSYCXUALJEVTP-CXUHLZMHSA-N 1 2 342.395 3.905 20 0 EHADLO CC(C)c1cc(N[C@@H](C)[C@H](O)c2cccc(O)c2)nc(C(C)C)[nH+]1 ZINC001170674160 1136196734 /nfs/dbraw/zinc/19/67/34/1136196734.db2.gz UZOFCFRDNWMBBT-UGSOOPFHSA-N 1 2 329.444 3.963 20 0 EHADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1OCC(F)(F)F ZINC000850050879 1136203121 /nfs/dbraw/zinc/20/31/21/1136203121.db2.gz HKPLLRPKOYFDBH-UHFFFAOYSA-N 1 2 329.322 3.588 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncnn21 ZINC000850351820 1136239506 /nfs/dbraw/zinc/23/95/06/1136239506.db2.gz IVYFBSQFLMHYCM-PELKAZGASA-N 1 2 330.741 3.746 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(F)cc1F ZINC000850409935 1136252346 /nfs/dbraw/zinc/25/23/46/1136252346.db2.gz DEFZLLKTOAOPGE-CQSZACIVSA-N 1 2 349.349 3.837 20 0 EHADLO CCc1cc(C(=O)Nc2c(C)c[nH+]cc2C)ccc1Br ZINC001133455326 1136253500 /nfs/dbraw/zinc/25/35/00/1136253500.db2.gz GNITZYVSAFREAL-UHFFFAOYSA-N 1 2 333.229 3.698 20 0 EHADLO COC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(F)c2F)ccc1Cl ZINC000850514339 1136275085 /nfs/dbraw/zinc/27/50/85/1136275085.db2.gz SOYDBHDBEPFPHK-VIFPVBQESA-N 1 2 340.757 3.651 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CSCc2ccc(Br)cc21)c1ncc[nH]1 ZINC000850530486 1136279982 /nfs/dbraw/zinc/27/99/82/1136279982.db2.gz ZDJYRRGOXASYOI-NOZJJQNGSA-N 1 2 338.274 3.811 20 0 EHADLO NC(=[NH+]OCCCOCC(F)(F)F)c1cccc2ccccc21 ZINC000747833920 1136281992 /nfs/dbraw/zinc/28/19/92/1136281992.db2.gz DZTHLJUYKCRMNZ-UHFFFAOYSA-N 1 2 326.318 3.655 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000813318307 1136314979 /nfs/dbraw/zinc/31/49/79/1136314979.db2.gz QQSBRNGJQYEMFC-NEPJUHHUSA-N 1 2 325.334 3.527 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850970265 1136323980 /nfs/dbraw/zinc/32/39/80/1136323980.db2.gz VNMTYKOMOOFGHV-QZTJIDSGSA-N 1 2 326.440 3.555 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)C3CCCC3)CC2)cs1 ZINC000851139503 1136341722 /nfs/dbraw/zinc/34/17/22/1136341722.db2.gz LZDGHIRWNKQWGO-ZDUSSCGKSA-N 1 2 336.501 3.785 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1csc(Cl)c1 ZINC000851399648 1136376642 /nfs/dbraw/zinc/37/66/42/1136376642.db2.gz DCOFWYHKSOVJNJ-UHFFFAOYSA-N 1 2 336.844 3.870 20 0 EHADLO Cc1cccc2c1[C@@H](OC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000814027623 1136387976 /nfs/dbraw/zinc/38/79/76/1136387976.db2.gz IIRBGWSRNORSOS-SFHVURJKSA-N 1 2 334.375 3.861 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000851806278 1136409071 /nfs/dbraw/zinc/40/90/71/1136409071.db2.gz MDHCLGULCAQNPY-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000851806278 1136409074 /nfs/dbraw/zinc/40/90/74/1136409074.db2.gz MDHCLGULCAQNPY-WBVHZDCISA-N 1 2 349.521 3.795 20 0 EHADLO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000851910750 1136418825 /nfs/dbraw/zinc/41/88/25/1136418825.db2.gz RCYLTLTVPKQGBE-HNNXBMFYSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000851910750 1136418827 /nfs/dbraw/zinc/41/88/27/1136418827.db2.gz RCYLTLTVPKQGBE-HNNXBMFYSA-N 1 2 343.450 3.766 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918938 1136419808 /nfs/dbraw/zinc/41/98/08/1136419808.db2.gz GELIZSRZFLHLLE-WOSRLPQWSA-N 1 2 329.362 3.646 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918938 1136419810 /nfs/dbraw/zinc/41/98/10/1136419810.db2.gz GELIZSRZFLHLLE-WOSRLPQWSA-N 1 2 329.362 3.646 20 0 EHADLO CCCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173222132 1136450638 /nfs/dbraw/zinc/45/06/38/1136450638.db2.gz OIWNBVBWCICTBC-UWVGGRQHSA-N 1 2 337.411 3.507 20 0 EHADLO COCC[N@H+](CCF)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000852483092 1136459722 /nfs/dbraw/zinc/45/97/22/1136459722.db2.gz AGGWUPALXHSEFP-UHFFFAOYSA-N 1 2 335.419 3.643 20 0 EHADLO COCC[N@@H+](CCF)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000852483092 1136459727 /nfs/dbraw/zinc/45/97/27/1136459727.db2.gz AGGWUPALXHSEFP-UHFFFAOYSA-N 1 2 335.419 3.643 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cc(F)ccc1F ZINC000265954804 1136463352 /nfs/dbraw/zinc/46/33/52/1136463352.db2.gz OQYCOEYKJPSORW-MRXNPFEDSA-N 1 2 348.397 3.728 20 0 EHADLO C[S@@](=O)CC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564958 1136466986 /nfs/dbraw/zinc/46/69/86/1136466986.db2.gz VHJVZVJZHJOALP-IIBYNOLFSA-N 1 2 339.913 3.728 20 0 EHADLO C[S@@](=O)CC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000852564958 1136466987 /nfs/dbraw/zinc/46/69/87/1136466987.db2.gz VHJVZVJZHJOALP-IIBYNOLFSA-N 1 2 339.913 3.728 20 0 EHADLO Cn1cc(-c2ccc(C[N@@H+]3CCOc4ccc(F)cc4C3)s2)cn1 ZINC000338951664 1136479303 /nfs/dbraw/zinc/47/93/03/1136479303.db2.gz JWLQUBWMIBIDPH-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cn1cc(-c2ccc(C[N@H+]3CCOc4ccc(F)cc4C3)s2)cn1 ZINC000338951664 1136479305 /nfs/dbraw/zinc/47/93/05/1136479305.db2.gz JWLQUBWMIBIDPH-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)n1 ZINC000852782714 1136486310 /nfs/dbraw/zinc/48/63/10/1136486310.db2.gz RVXXKETUEHGVNI-CQSZACIVSA-N 1 2 329.444 3.834 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000853125257 1136512183 /nfs/dbraw/zinc/51/21/83/1136512183.db2.gz OQLFYMBYUJHLIY-LBPRGKRZSA-N 1 2 336.220 3.754 20 0 EHADLO Clc1cnn(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1C1CC1 ZINC000853495406 1136537934 /nfs/dbraw/zinc/53/79/34/1136537934.db2.gz UBZLHRRWJFGKDK-QGZVFWFLSA-N 1 2 331.847 3.835 20 0 EHADLO Clc1cnn(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1C1CC1 ZINC000853495406 1136537936 /nfs/dbraw/zinc/53/79/36/1136537936.db2.gz UBZLHRRWJFGKDK-QGZVFWFLSA-N 1 2 331.847 3.835 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccco3)CC2)C1 ZINC000853527110 1136541634 /nfs/dbraw/zinc/54/16/34/1136541634.db2.gz KRCUFWAYONGEQO-AWEZNQCLSA-N 1 2 346.496 3.855 20 0 EHADLO C[N@@H+](CC1=CCSC1)Cn1ccn(Cc2ccccc2)c1=S ZINC000853618976 1136549926 /nfs/dbraw/zinc/54/99/26/1136549926.db2.gz RVHBNNHHXZAIIG-UHFFFAOYSA-N 1 2 331.510 3.630 20 0 EHADLO C[N@H+](CC1=CCSC1)Cn1ccn(Cc2ccccc2)c1=S ZINC000853618976 1136549928 /nfs/dbraw/zinc/54/99/28/1136549928.db2.gz RVHBNNHHXZAIIG-UHFFFAOYSA-N 1 2 331.510 3.630 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)C[C@@H]2CC2(C)C)nc1-c1ccncc1 ZINC000853626933 1136550453 /nfs/dbraw/zinc/55/04/53/1136550453.db2.gz KHSOBIKSHXNTFN-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)C[C@@H]2CC2(C)C)nc1-c1ccncc1 ZINC000853626933 1136550456 /nfs/dbraw/zinc/55/04/56/1136550456.db2.gz KHSOBIKSHXNTFN-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000815156073 1136558553 /nfs/dbraw/zinc/55/85/53/1136558553.db2.gz SXDXZBKZMTURBL-UHFFFAOYSA-N 1 2 341.455 3.718 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC2(CC2(F)F)CC1 ZINC000853879048 1136572131 /nfs/dbraw/zinc/57/21/31/1136572131.db2.gz RVGDOSIDIVZORW-UHFFFAOYSA-N 1 2 335.402 3.961 20 0 EHADLO CCNC(=O)OC1CC[NH+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001138011718 1136581454 /nfs/dbraw/zinc/58/14/54/1136581454.db2.gz FNXIHGXBNWVTDY-UHFFFAOYSA-N 1 2 348.340 3.555 20 0 EHADLO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nn(C)cc1Br ZINC001170784674 1136593087 /nfs/dbraw/zinc/59/30/87/1136593087.db2.gz VVAACCWPPJGEPO-NWDGAFQWSA-N 1 2 328.298 3.829 20 0 EHADLO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1nn(C)cc1Br ZINC001170784674 1136593089 /nfs/dbraw/zinc/59/30/89/1136593089.db2.gz VVAACCWPPJGEPO-NWDGAFQWSA-N 1 2 328.298 3.829 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000854394497 1136612971 /nfs/dbraw/zinc/61/29/71/1136612971.db2.gz PBTMOLQISGFKQM-JKSUJKDBSA-N 1 2 331.847 3.838 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000815644706 1136625821 /nfs/dbraw/zinc/62/58/21/1136625821.db2.gz KDWCDWVRFUMYSW-UONOGXRCSA-N 1 2 326.387 3.942 20 0 EHADLO CC(C)CON(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000855027750 1136662113 /nfs/dbraw/zinc/66/21/13/1136662113.db2.gz LVFRBHLUVGZEAH-IAGOWNOFSA-N 1 2 333.476 3.520 20 0 EHADLO Cc1cccc(N2CCN(Cc3c(F)ccc(C)c3Cl)CC2)[nH+]1 ZINC001138022593 1136710168 /nfs/dbraw/zinc/71/01/68/1136710168.db2.gz FVNMUCFAFOMIDP-UHFFFAOYSA-N 1 2 333.838 3.813 20 0 EHADLO O=C(Nc1cccnc1OCc1ccccc1)c1cccc2[nH+]ccn21 ZINC000776835483 1136726695 /nfs/dbraw/zinc/72/66/95/1136726695.db2.gz UNUPTVIOESPJST-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCCc3occc3C2)cc1 ZINC001170837142 1136745885 /nfs/dbraw/zinc/74/58/85/1136745885.db2.gz WAVMNIJZEQAZCF-UHFFFAOYSA-N 1 2 326.440 3.964 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCCc3occc3C2)cc1 ZINC001170837142 1136745888 /nfs/dbraw/zinc/74/58/88/1136745888.db2.gz WAVMNIJZEQAZCF-UHFFFAOYSA-N 1 2 326.440 3.964 20 0 EHADLO CCSc1ccc([C@H](C)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776890383 1136789057 /nfs/dbraw/zinc/78/90/57/1136789057.db2.gz LMRRKNMXIFKNKQ-ZDUSSCGKSA-N 1 2 325.437 3.937 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)o1 ZINC000817287261 1136791247 /nfs/dbraw/zinc/79/12/47/1136791247.db2.gz PVVRQBDQYWBUOO-UHFFFAOYSA-N 1 2 349.475 3.773 20 0 EHADLO CN(C)c1ccc(C2CC[NH+](Cc3nn(C)cc3Cl)CC2)cc1 ZINC000817275656 1136793017 /nfs/dbraw/zinc/79/30/17/1136793017.db2.gz JRXIGPRODHDJTR-UHFFFAOYSA-N 1 2 332.879 3.519 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)nn1C ZINC000817409259 1136805422 /nfs/dbraw/zinc/80/54/22/1136805422.db2.gz GMWTYXZUPOFOPZ-IBGZPJMESA-N 1 2 347.890 3.636 20 0 EHADLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000856822361 1136815475 /nfs/dbraw/zinc/81/54/75/1136815475.db2.gz KDCVMIPJWHEVHQ-DOTOQJQBSA-N 1 2 343.414 3.541 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3cn(C)nc3Cl)CC2)c1 ZINC000857013232 1136831915 /nfs/dbraw/zinc/83/19/15/1136831915.db2.gz KJCYMXWTHNWHFB-UHFFFAOYSA-N 1 2 333.863 3.734 20 0 EHADLO Fc1ccc(C2OCCO2)c(Cl)c1C[NH+]1CC(CC2CC2)C1 ZINC000857066348 1136840370 /nfs/dbraw/zinc/84/03/70/1136840370.db2.gz IOHOVJZGNGIKPP-UHFFFAOYSA-N 1 2 325.811 3.756 20 0 EHADLO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000817950097 1136850984 /nfs/dbraw/zinc/85/09/84/1136850984.db2.gz RUVWXQRTQQVTNS-KBPBESRZSA-N 1 2 338.398 3.824 20 0 EHADLO Brc1ccc2c(c1)C[C@@H]([N@@H+]1CCOCC13CCC3)CC2 ZINC001170884633 1136855534 /nfs/dbraw/zinc/85/55/34/1136855534.db2.gz ITCMDRPLLASOCH-INIZCTEOSA-N 1 2 336.273 3.561 20 0 EHADLO Brc1ccc2c(c1)C[C@@H]([N@H+]1CCOCC13CCC3)CC2 ZINC001170884633 1136855537 /nfs/dbraw/zinc/85/55/37/1136855537.db2.gz ITCMDRPLLASOCH-INIZCTEOSA-N 1 2 336.273 3.561 20 0 EHADLO CC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170886251 1136858478 /nfs/dbraw/zinc/85/84/78/1136858478.db2.gz PZDACZKSTZWRKK-DLBZAZTESA-N 1 2 336.273 3.750 20 0 EHADLO CC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170886251 1136858480 /nfs/dbraw/zinc/85/84/80/1136858480.db2.gz PZDACZKSTZWRKK-DLBZAZTESA-N 1 2 336.273 3.750 20 0 EHADLO C[C@@H]1SCCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1c1ccccc1 ZINC000776934761 1136863873 /nfs/dbraw/zinc/86/38/73/1136863873.db2.gz JBBLRAWIYRMVKK-KBXCAEBGSA-N 1 2 337.448 3.653 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000115212253 1136874569 /nfs/dbraw/zinc/87/45/69/1136874569.db2.gz BHUIOPWDQLBQLO-GOSISDBHSA-N 1 2 331.419 3.609 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc(Cl)c2)[nH+]1 ZINC000818492333 1136877969 /nfs/dbraw/zinc/87/79/69/1136877969.db2.gz CUYOVRHWSVRXGA-UHFFFAOYSA-N 1 2 333.815 3.850 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137656754 1136887254 /nfs/dbraw/zinc/88/72/54/1136887254.db2.gz WFOSLYBSFATDTP-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137656754 1136887258 /nfs/dbraw/zinc/88/72/58/1136887258.db2.gz WFOSLYBSFATDTP-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(OC2CCCC2)c1 ZINC000857856181 1136913263 /nfs/dbraw/zinc/91/32/63/1136913263.db2.gz GQTAUERLTWJNGL-SFHVURJKSA-N 1 2 341.455 3.907 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)c2)[nH+]c1C ZINC000857852054 1136913709 /nfs/dbraw/zinc/91/37/09/1136913709.db2.gz KNJNEAMKMSXSPI-PIGZYNQJSA-N 1 2 349.438 3.721 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857865460 1136914861 /nfs/dbraw/zinc/91/48/61/1136914861.db2.gz MOWVGWXWNWYWSZ-CYBMUJFWSA-N 1 2 331.288 3.874 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857865460 1136914865 /nfs/dbraw/zinc/91/48/65/1136914865.db2.gz MOWVGWXWNWYWSZ-CYBMUJFWSA-N 1 2 331.288 3.874 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000339008418 1136917970 /nfs/dbraw/zinc/91/79/70/1136917970.db2.gz QFPPZVIQLMSAGN-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000339008418 1136917971 /nfs/dbraw/zinc/91/79/71/1136917971.db2.gz QFPPZVIQLMSAGN-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000339009186 1136925604 /nfs/dbraw/zinc/92/56/04/1136925604.db2.gz ARGZHMULZJYOLC-UHFFFAOYSA-N 1 2 340.492 3.606 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000339009186 1136925606 /nfs/dbraw/zinc/92/56/06/1136925606.db2.gz ARGZHMULZJYOLC-UHFFFAOYSA-N 1 2 340.492 3.606 20 0 EHADLO CCC(CC)(C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857987372 1136927344 /nfs/dbraw/zinc/92/73/44/1136927344.db2.gz XMYSDPFLTBBDSG-OAHLLOKOSA-N 1 2 331.847 3.856 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983368 1136927575 /nfs/dbraw/zinc/92/75/75/1136927575.db2.gz QGRODTQTSGUYTN-OAHLLOKOSA-N 1 2 325.437 3.682 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001136212503 1136932769 /nfs/dbraw/zinc/93/27/69/1136932769.db2.gz CQHQVAYMFBDOSD-QZTJIDSGSA-N 1 2 325.456 3.609 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(F)c1Cl ZINC000339010635 1136935595 /nfs/dbraw/zinc/93/55/95/1136935595.db2.gz QEDHFTHKFSXNJP-CABCVRRESA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(F)c1Cl ZINC000339010635 1136935593 /nfs/dbraw/zinc/93/55/93/1136935593.db2.gz QEDHFTHKFSXNJP-CABCVRRESA-N 1 2 326.843 3.700 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ncc(Br)cc1F ZINC000858102407 1136940280 /nfs/dbraw/zinc/94/02/80/1136940280.db2.gz XORDWEVEJUUWLZ-UHFFFAOYSA-N 1 2 338.224 3.970 20 0 EHADLO CC(C)(C)OC(=O)N1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000858357565 1136961014 /nfs/dbraw/zinc/96/10/14/1136961014.db2.gz SUFWXTOIJQJGSQ-UHFFFAOYSA-N 1 2 327.428 3.682 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)c(OC(F)F)c1 ZINC000858381107 1136963395 /nfs/dbraw/zinc/96/33/95/1136963395.db2.gz LCEAAJVGCQXLTE-SNVBAGLBSA-N 1 2 328.384 3.912 20 0 EHADLO S=c1oc2ccc(Cl)cc2n1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819895941 1136965250 /nfs/dbraw/zinc/96/52/50/1136965250.db2.gz VVRZVEBGNSMOHT-GFCCVEGCSA-N 1 2 349.847 3.503 20 0 EHADLO S=c1oc2ccc(Cl)cc2n1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819895941 1136965252 /nfs/dbraw/zinc/96/52/52/1136965252.db2.gz VVRZVEBGNSMOHT-GFCCVEGCSA-N 1 2 349.847 3.503 20 0 EHADLO O[C@@H](C[C@@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12)c1ccco1 ZINC000858443438 1136967892 /nfs/dbraw/zinc/96/78/92/1136967892.db2.gz CUSLNGKWGWNCJT-KSSFIOAISA-N 1 2 348.406 3.568 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)n1 ZINC000858444075 1136968184 /nfs/dbraw/zinc/96/81/84/1136968184.db2.gz IRULAXNRDSKQCG-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000820018317 1136970368 /nfs/dbraw/zinc/97/03/68/1136970368.db2.gz PNWHAMKPAKEMAA-UKRRQHHQSA-N 1 2 342.468 3.957 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858472035 1136971092 /nfs/dbraw/zinc/97/10/92/1136971092.db2.gz WDWXMJZKUMFAQH-ZBFHGGJFSA-N 1 2 341.455 3.974 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)c2)[nH+]c1C ZINC000858741158 1136989797 /nfs/dbraw/zinc/98/97/97/1136989797.db2.gz ZHCFPDPXFQMBQM-USJXKXFVSA-N 1 2 327.428 3.692 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820681665 1137000725 /nfs/dbraw/zinc/00/07/25/1137000725.db2.gz OQCCMHYEAZPOHM-KRWDZBQOSA-N 1 2 325.456 3.693 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820681665 1137000726 /nfs/dbraw/zinc/00/07/26/1137000726.db2.gz OQCCMHYEAZPOHM-KRWDZBQOSA-N 1 2 325.456 3.693 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(OC(C)(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000820858783 1137007023 /nfs/dbraw/zinc/00/70/23/1137007023.db2.gz AZZVOFBUHJGUHN-CRAIPNDOSA-N 1 2 341.455 3.784 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)NCCCCNc3cccc[nH+]3)cc21 ZINC000859222711 1137008452 /nfs/dbraw/zinc/00/84/52/1137008452.db2.gz WJSBRJGVLABOOQ-UHFFFAOYSA-N 1 2 340.402 3.633 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ncccc1Cl ZINC000859283150 1137010504 /nfs/dbraw/zinc/01/05/04/1137010504.db2.gz JBFSEAYVKJRDEB-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ncccc1Cl ZINC000859283150 1137010506 /nfs/dbraw/zinc/01/05/06/1137010506.db2.gz JBFSEAYVKJRDEB-CYBMUJFWSA-N 1 2 345.830 3.885 20 0 EHADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001170956372 1137011754 /nfs/dbraw/zinc/01/17/54/1137011754.db2.gz JNAGNGOEEBCEEB-ROUUACIJSA-N 1 2 340.423 3.804 20 0 EHADLO CCOCC[N@H+](Cc1cc(Cl)n(C)n1)[C@@H]1CCc2ccccc21 ZINC000859831381 1137033528 /nfs/dbraw/zinc/03/35/28/1137033528.db2.gz UCKBVVSTVSRYIT-QGZVFWFLSA-N 1 2 333.863 3.600 20 0 EHADLO CCOCC[N@@H+](Cc1cc(Cl)n(C)n1)[C@@H]1CCc2ccccc21 ZINC000859831381 1137033530 /nfs/dbraw/zinc/03/35/30/1137033530.db2.gz UCKBVVSTVSRYIT-QGZVFWFLSA-N 1 2 333.863 3.600 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nc(Cl)sc1Cl ZINC000821671570 1137035407 /nfs/dbraw/zinc/03/54/07/1137035407.db2.gz BJWDOJKVEJCRCQ-UHFFFAOYSA-N 1 2 339.207 3.888 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC[C@H]2CCc3ccccc32)c1C ZINC001136490148 1137037717 /nfs/dbraw/zinc/03/77/17/1137037717.db2.gz SLBPDIGVOGRZCT-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000859951214 1137038415 /nfs/dbraw/zinc/03/84/15/1137038415.db2.gz KRDNLGWITQSHIR-UPJWGTAASA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000859951214 1137038417 /nfs/dbraw/zinc/03/84/17/1137038417.db2.gz KRDNLGWITQSHIR-UPJWGTAASA-N 1 2 343.254 3.552 20 0 EHADLO COc1cc(-c2nc(C[NH2+][C@@H](C)c3ccns3)cs2)ccc1O ZINC000860057681 1137042681 /nfs/dbraw/zinc/04/26/81/1137042681.db2.gz XGGLJVHDBWEJKX-JTQLQIEISA-N 1 2 347.465 3.832 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000860096153 1137044141 /nfs/dbraw/zinc/04/41/41/1137044141.db2.gz HLJSVQWQWDMYCO-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000860096153 1137044143 /nfs/dbraw/zinc/04/41/43/1137044143.db2.gz HLJSVQWQWDMYCO-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@@H]2C[C@H]2c2ccsc2)[nH+]1 ZINC000860544054 1137065729 /nfs/dbraw/zinc/06/57/29/1137065729.db2.gz KIRRNDGSQLWTTG-ZWKOTPCHSA-N 1 2 345.464 3.748 20 0 EHADLO CC(C)(C)Nc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)nc1 ZINC000822886697 1137077281 /nfs/dbraw/zinc/07/72/81/1137077281.db2.gz JACXVKSROJBECN-KRWDZBQOSA-N 1 2 349.438 3.577 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001136642552 1137077660 /nfs/dbraw/zinc/07/76/60/1137077660.db2.gz DUZYIULIRLBELY-UHFFFAOYSA-N 1 2 347.462 3.817 20 0 EHADLO Fc1cccc2c1C[C@H]([N@@H+]1Cc3cc(Br)cnc3C1)CC2 ZINC001171002311 1137083719 /nfs/dbraw/zinc/08/37/19/1137083719.db2.gz VJDSLGXNKPEAQF-CQSZACIVSA-N 1 2 347.231 3.856 20 0 EHADLO Fc1cccc2c1C[C@H]([N@H+]1Cc3cc(Br)cnc3C1)CC2 ZINC001171002311 1137083721 /nfs/dbraw/zinc/08/37/21/1137083721.db2.gz VJDSLGXNKPEAQF-CQSZACIVSA-N 1 2 347.231 3.856 20 0 EHADLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC001206099003 1137089757 /nfs/dbraw/zinc/08/97/57/1137089757.db2.gz WVKJAGJLMMZKPP-LLVKDONJSA-N 1 2 341.146 3.568 20 0 EHADLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC001206099003 1137089759 /nfs/dbraw/zinc/08/97/59/1137089759.db2.gz WVKJAGJLMMZKPP-LLVKDONJSA-N 1 2 341.146 3.568 20 0 EHADLO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662526 1137095923 /nfs/dbraw/zinc/09/59/23/1137095923.db2.gz WHZHWRBNSGIJLH-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662526 1137095924 /nfs/dbraw/zinc/09/59/24/1137095924.db2.gz WHZHWRBNSGIJLH-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc(C3CCC3)cc2)n1 ZINC000823382407 1137097294 /nfs/dbraw/zinc/09/72/94/1137097294.db2.gz WXCQEAAOPHABRJ-HNNXBMFYSA-N 1 2 343.427 3.736 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(CC2CCC(C)(C)CC2)n1 ZINC000823392621 1137097898 /nfs/dbraw/zinc/09/78/98/1137097898.db2.gz DCBKQRBCVAGLHV-ZDUSSCGKSA-N 1 2 337.464 3.560 20 0 EHADLO CCN(C)c1cc(NCc2cc(-c3cccc(Cl)c3)no2)[nH+]cn1 ZINC001171020280 1137103119 /nfs/dbraw/zinc/10/31/19/1137103119.db2.gz NHOCPZMBWUHFKG-UHFFFAOYSA-N 1 2 343.818 3.853 20 0 EHADLO CCN(C)c1cc(NCc2cc(-c3cccc(Cl)c3)no2)nc[nH+]1 ZINC001171020280 1137103121 /nfs/dbraw/zinc/10/31/21/1137103121.db2.gz NHOCPZMBWUHFKG-UHFFFAOYSA-N 1 2 343.818 3.853 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000861561209 1137111255 /nfs/dbraw/zinc/11/12/55/1137111255.db2.gz DNYLIMCVUSHQFL-UHFFFAOYSA-N 1 2 342.443 3.541 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC001136828199 1137125882 /nfs/dbraw/zinc/12/58/82/1137125882.db2.gz SIMKXFXVHOEVCN-MJGOQNOKSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ncc1Br ZINC000862215783 1137132393 /nfs/dbraw/zinc/13/23/93/1137132393.db2.gz NYWWOZTYQOGWQQ-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ncc1Br ZINC000862215783 1137132395 /nfs/dbraw/zinc/13/23/95/1137132395.db2.gz NYWWOZTYQOGWQQ-UHFFFAOYSA-N 1 2 340.652 3.833 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136858757 1137132875 /nfs/dbraw/zinc/13/28/75/1137132875.db2.gz YDMWPRDFMPCAOO-LBPRGKRZSA-N 1 2 349.862 3.920 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136858757 1137132876 /nfs/dbraw/zinc/13/28/76/1137132876.db2.gz YDMWPRDFMPCAOO-LBPRGKRZSA-N 1 2 349.862 3.920 20 0 EHADLO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000824404580 1137135211 /nfs/dbraw/zinc/13/52/11/1137135211.db2.gz SPMBFHJSFXEUAY-RHSMWYFYSA-N 1 2 327.428 3.686 20 0 EHADLO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C1CC(F)(F)C1 ZINC000862293793 1137137573 /nfs/dbraw/zinc/13/75/73/1137137573.db2.gz PVOFHJTUSHFZEL-BBRMVZONSA-N 1 2 339.426 3.963 20 0 EHADLO CCCCc1nc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)no1 ZINC000118855238 1137137837 /nfs/dbraw/zinc/13/78/37/1137137837.db2.gz VWZWHJPRYMCGNA-KRWDZBQOSA-N 1 2 349.450 3.743 20 0 EHADLO CCCCc1nc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)no1 ZINC000118855238 1137137839 /nfs/dbraw/zinc/13/78/39/1137137839.db2.gz VWZWHJPRYMCGNA-KRWDZBQOSA-N 1 2 349.450 3.743 20 0 EHADLO c1c(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)nc2ccccn12 ZINC001136882059 1137139104 /nfs/dbraw/zinc/13/91/04/1137139104.db2.gz ZJKBTWMVPJPTEP-UHFFFAOYSA-N 1 2 333.435 3.516 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)[nH]c1C ZINC000862365811 1137140769 /nfs/dbraw/zinc/14/07/69/1137140769.db2.gz XHVXDYFAFZCDBE-FQEVSTJZSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)[nH]c1C ZINC000862365811 1137140771 /nfs/dbraw/zinc/14/07/71/1137140771.db2.gz XHVXDYFAFZCDBE-FQEVSTJZSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)[nH+]c1C ZINC000862365811 1137140773 /nfs/dbraw/zinc/14/07/73/1137140773.db2.gz XHVXDYFAFZCDBE-FQEVSTJZSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)[nH]c1C ZINC000862365812 1137140776 /nfs/dbraw/zinc/14/07/76/1137140776.db2.gz XHVXDYFAFZCDBE-HXUWFJFHSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)[nH]c1C ZINC000862365812 1137140777 /nfs/dbraw/zinc/14/07/77/1137140777.db2.gz XHVXDYFAFZCDBE-HXUWFJFHSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1[nH]c(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)[nH+]c1C ZINC000862365812 1137140779 /nfs/dbraw/zinc/14/07/79/1137140779.db2.gz XHVXDYFAFZCDBE-HXUWFJFHSA-N 1 2 335.451 3.762 20 0 EHADLO COC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC1 ZINC001171058494 1137141389 /nfs/dbraw/zinc/14/13/89/1137141389.db2.gz BYFCVAFCRDGQMF-CYBMUJFWSA-N 1 2 342.266 3.926 20 0 EHADLO CC(C)(C)OC(=O)[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC001171058696 1137141793 /nfs/dbraw/zinc/14/17/93/1137141793.db2.gz ZEIIGFDLBBZWRE-RRFJBIMHSA-N 1 2 325.493 3.679 20 0 EHADLO CCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000824650387 1137146240 /nfs/dbraw/zinc/14/62/40/1137146240.db2.gz ONYVKVYSQBMLAU-CYBMUJFWSA-N 1 2 326.227 3.917 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC001136921631 1137147910 /nfs/dbraw/zinc/14/79/10/1137147910.db2.gz JKCAZPOKEHAZBH-LBPRGKRZSA-N 1 2 346.418 3.994 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC001136921631 1137147911 /nfs/dbraw/zinc/14/79/11/1137147911.db2.gz JKCAZPOKEHAZBH-LBPRGKRZSA-N 1 2 346.418 3.994 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1C(C)C ZINC000339040614 1137152175 /nfs/dbraw/zinc/15/21/75/1137152175.db2.gz PIIHARAZHSCNCZ-UHFFFAOYSA-N 1 2 326.375 3.955 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)NCCCNc1cccc[nH+]1 ZINC001136959872 1137157345 /nfs/dbraw/zinc/15/73/45/1137157345.db2.gz DQGWWHWTSZOJBS-UHFFFAOYSA-N 1 2 337.467 3.900 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045653 1137163136 /nfs/dbraw/zinc/16/31/36/1137163136.db2.gz IPADELDDAUOWDO-GFCCVEGCSA-N 1 2 343.780 3.830 20 0 EHADLO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)CCC(C)=O)CC1 ZINC001137021565 1137173318 /nfs/dbraw/zinc/17/33/18/1137173318.db2.gz UBXUSEBKECCGJH-LJQANCHMSA-N 1 2 344.499 3.677 20 0 EHADLO C[C@@H]1C[NH+](CN2c3cccc4cccc(c34)C2=O)C[C@@H](C)C1(F)F ZINC000863275134 1137179146 /nfs/dbraw/zinc/17/91/46/1137179146.db2.gz PQMHLJOIRSDGND-CHWSQXEVSA-N 1 2 330.378 3.981 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341766 1137181673 /nfs/dbraw/zinc/18/16/73/1137181673.db2.gz UQTILDMGYDAHRG-PYLYLYNFSA-N 1 2 329.473 3.638 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341766 1137181674 /nfs/dbraw/zinc/18/16/74/1137181674.db2.gz UQTILDMGYDAHRG-PYLYLYNFSA-N 1 2 329.473 3.638 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340940 1137181702 /nfs/dbraw/zinc/18/17/02/1137181702.db2.gz OMXOLWOJAXJSQP-ZZKXABKFSA-N 1 2 334.411 3.612 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000863340940 1137181703 /nfs/dbraw/zinc/18/17/03/1137181703.db2.gz OMXOLWOJAXJSQP-ZZKXABKFSA-N 1 2 334.411 3.612 20 0 EHADLO CCc1noc(C2CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)n1 ZINC001143627305 1137183979 /nfs/dbraw/zinc/18/39/79/1137183979.db2.gz JNCPLSQIYWTYHA-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143628332 1137184269 /nfs/dbraw/zinc/18/42/69/1137184269.db2.gz GRUWIRVJQINKGK-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)n1 ZINC001143628332 1137184270 /nfs/dbraw/zinc/18/42/70/1137184270.db2.gz GRUWIRVJQINKGK-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+]2CCc3occc3C2)ccn1 ZINC001143697719 1137190293 /nfs/dbraw/zinc/19/02/93/1137190293.db2.gz WJNOTDLIYPUDPW-UHFFFAOYSA-N 1 2 329.400 3.580 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CCc3occc3C2)ccn1 ZINC001143697719 1137190295 /nfs/dbraw/zinc/19/02/95/1137190295.db2.gz WJNOTDLIYPUDPW-UHFFFAOYSA-N 1 2 329.400 3.580 20 0 EHADLO Cn1cnc2c1C[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)CC2 ZINC001143706868 1137192440 /nfs/dbraw/zinc/19/24/40/1137192440.db2.gz RCPCEBCRFQLAHL-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1cnc2c1C[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)CC2 ZINC001143706868 1137192442 /nfs/dbraw/zinc/19/24/42/1137192442.db2.gz RCPCEBCRFQLAHL-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCc3c(=O)[nH]ccc3C2)cc1Cl ZINC001143745016 1137195417 /nfs/dbraw/zinc/19/54/17/1137195417.db2.gz IBOWWGMJQPFTMI-UHFFFAOYSA-N 1 2 336.794 3.537 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCc3c(=O)[nH]ccc3C2)cc1Cl ZINC001143745016 1137195419 /nfs/dbraw/zinc/19/54/19/1137195419.db2.gz IBOWWGMJQPFTMI-UHFFFAOYSA-N 1 2 336.794 3.537 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(OC(C)C)cc3)no2)c1 ZINC000863660104 1137197363 /nfs/dbraw/zinc/19/73/63/1137197363.db2.gz SOMHONFUHNTSGC-KRWDZBQOSA-N 1 2 339.395 3.581 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C3(c4cc(C)cc(C)c4)CC3)no2)c1 ZINC000863678484 1137199035 /nfs/dbraw/zinc/19/90/35/1137199035.db2.gz WQEWLDXTIUXYJH-GOSISDBHSA-N 1 2 349.434 3.823 20 0 EHADLO CCCCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844132733 1137200047 /nfs/dbraw/zinc/20/00/47/1137200047.db2.gz LLQNMUPKCWPKHX-MJGOQNOKSA-N 1 2 325.456 3.883 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001143791631 1137200273 /nfs/dbraw/zinc/20/02/73/1137200273.db2.gz XPJFZTFOSCLPFA-OAHLLOKOSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001143791631 1137200275 /nfs/dbraw/zinc/20/02/75/1137200275.db2.gz XPJFZTFOSCLPFA-OAHLLOKOSA-N 1 2 341.308 3.851 20 0 EHADLO COc1c(F)cc(C[N@@H+]2CCc3cc(CO)ccc3C2)cc1Cl ZINC001143839286 1137204625 /nfs/dbraw/zinc/20/46/25/1137204625.db2.gz LRFLBJCIBYKEOO-UHFFFAOYSA-N 1 2 335.806 3.538 20 0 EHADLO COc1c(F)cc(C[N@H+]2CCc3cc(CO)ccc3C2)cc1Cl ZINC001143839286 1137204627 /nfs/dbraw/zinc/20/46/27/1137204627.db2.gz LRFLBJCIBYKEOO-UHFFFAOYSA-N 1 2 335.806 3.538 20 0 EHADLO O=C1CCCC2(CC[NH+](Cc3c(F)ccc(Cl)c3Cl)CC2)N1 ZINC001143858207 1137204980 /nfs/dbraw/zinc/20/49/80/1137204980.db2.gz BOPDTAZSDFHXNU-UHFFFAOYSA-N 1 2 345.245 3.767 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCCOC2)O1 ZINC000794580242 1137209958 /nfs/dbraw/zinc/20/99/58/1137209958.db2.gz ASXAQZYGRTWWCA-IFXJQAMLSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCCOC2)O1 ZINC000794580242 1137209960 /nfs/dbraw/zinc/20/99/60/1137209960.db2.gz ASXAQZYGRTWWCA-IFXJQAMLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(F)c1F ZINC001143904552 1137211897 /nfs/dbraw/zinc/21/18/97/1137211897.db2.gz QAOYZLKIEHUNEE-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(F)c1F ZINC001143904552 1137211898 /nfs/dbraw/zinc/21/18/98/1137211898.db2.gz QAOYZLKIEHUNEE-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)[C@H]2C ZINC001171120583 1137214927 /nfs/dbraw/zinc/21/49/27/1137214927.db2.gz DWZNFCLUQHFWLW-SUMWQHHRSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)[C@H]2C ZINC001171120583 1137214929 /nfs/dbraw/zinc/21/49/29/1137214929.db2.gz DWZNFCLUQHFWLW-SUMWQHHRSA-N 1 2 345.874 3.617 20 0 EHADLO Cc1cc(NC(=O)/C=C\c2ccnc(Cl)c2)ccc1-n1cc[nH+]c1 ZINC001143940170 1137216604 /nfs/dbraw/zinc/21/66/04/1137216604.db2.gz VNEKTTSZQPMDSI-DJWKRKHSSA-N 1 2 338.798 3.881 20 0 EHADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000844454918 1137221471 /nfs/dbraw/zinc/22/14/71/1137221471.db2.gz OVRNFUVWGILVQC-SCTDSRPQSA-N 1 2 348.437 3.621 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000844454918 1137221472 /nfs/dbraw/zinc/22/14/72/1137221472.db2.gz OVRNFUVWGILVQC-SCTDSRPQSA-N 1 2 348.437 3.621 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2cccc(N)c2)no1)c1cccc(Cl)c1 ZINC000794660904 1137222052 /nfs/dbraw/zinc/22/20/52/1137222052.db2.gz IEVNOKVCDYQCGK-HNNXBMFYSA-N 1 2 328.803 3.623 20 0 EHADLO Cc1ccc([C@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)c(C)c1 ZINC000794657889 1137224670 /nfs/dbraw/zinc/22/46/70/1137224670.db2.gz WDAZSCBQTBYUGE-SFHVURJKSA-N 1 2 347.462 3.769 20 0 EHADLO Cc1ccc([C@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)c(C)c1 ZINC000794657889 1137224672 /nfs/dbraw/zinc/22/46/72/1137224672.db2.gz WDAZSCBQTBYUGE-SFHVURJKSA-N 1 2 347.462 3.769 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1ccccn1 ZINC000794684035 1137226232 /nfs/dbraw/zinc/22/62/32/1137226232.db2.gz HUYSXRAOCZNDAJ-CQSZACIVSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)nc1-c1ccccn1 ZINC000794684035 1137226233 /nfs/dbraw/zinc/22/62/33/1137226233.db2.gz HUYSXRAOCZNDAJ-CQSZACIVSA-N 1 2 345.516 3.964 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794687979 1137227702 /nfs/dbraw/zinc/22/77/02/1137227702.db2.gz KQXBGGNDAXWAIF-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794687979 1137227703 /nfs/dbraw/zinc/22/77/03/1137227703.db2.gz KQXBGGNDAXWAIF-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2c(Cl)cncc2Cl)c(C)[nH+]1 ZINC000864474190 1137228919 /nfs/dbraw/zinc/22/89/19/1137228919.db2.gz LIGFPXJPIAZWDU-HXUWFJFHSA-N 1 2 329.252 3.849 20 0 EHADLO OC[C@@H]1CC[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144041247 1137230723 /nfs/dbraw/zinc/23/07/23/1137230723.db2.gz JMMRPOQUEHCJSN-MRVPVSSYSA-N 1 2 328.161 3.826 20 0 EHADLO OC[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144041247 1137230725 /nfs/dbraw/zinc/23/07/25/1137230725.db2.gz JMMRPOQUEHCJSN-MRVPVSSYSA-N 1 2 328.161 3.826 20 0 EHADLO OC[C@@H]1CCC[N@@H+]1Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144039173 1137233211 /nfs/dbraw/zinc/23/32/11/1137233211.db2.gz RDFLVAUKOQXAKB-QMMMGPOBSA-N 1 2 328.161 3.969 20 0 EHADLO OC[C@@H]1CCC[N@H+]1Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144039173 1137233212 /nfs/dbraw/zinc/23/32/12/1137233212.db2.gz RDFLVAUKOQXAKB-QMMMGPOBSA-N 1 2 328.161 3.969 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138409 1137238029 /nfs/dbraw/zinc/23/80/29/1137238029.db2.gz CWXFDYOQKOLOKS-GFCCVEGCSA-N 1 2 330.255 3.782 20 0 EHADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccccc1SC1CCCC1 ZINC000864829085 1137248021 /nfs/dbraw/zinc/24/80/21/1137248021.db2.gz MDIDLHIHZHWAQR-YHYXMXQVSA-N 1 2 346.496 3.548 20 0 EHADLO C[N@H+](C[C@H]1CC=CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700238 1137248627 /nfs/dbraw/zinc/24/86/27/1137248627.db2.gz ITHPHMJBFDVZAQ-ZDUSSCGKSA-N 1 2 349.887 3.871 20 0 EHADLO C[N@@H+](C[C@H]1CC=CCC1)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844700238 1137248628 /nfs/dbraw/zinc/24/86/28/1137248628.db2.gz ITHPHMJBFDVZAQ-ZDUSSCGKSA-N 1 2 349.887 3.871 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1-c1ccco1 ZINC000120252973 1137248761 /nfs/dbraw/zinc/24/87/61/1137248761.db2.gz OWWXALJYPIVWPX-HNNXBMFYSA-N 1 2 340.452 3.658 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc1-c1ccco1 ZINC000120252973 1137248763 /nfs/dbraw/zinc/24/87/63/1137248763.db2.gz OWWXALJYPIVWPX-HNNXBMFYSA-N 1 2 340.452 3.658 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(C(F)F)n(C)c2=S)CCc2ccccc21 ZINC000844743319 1137249207 /nfs/dbraw/zinc/24/92/07/1137249207.db2.gz VFOWORKZLDHRKQ-LLVKDONJSA-N 1 2 338.427 3.508 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(C(F)F)n(C)c2=S)CCc2ccccc21 ZINC000844743319 1137249209 /nfs/dbraw/zinc/24/92/09/1137249209.db2.gz VFOWORKZLDHRKQ-LLVKDONJSA-N 1 2 338.427 3.508 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144200632 1137250686 /nfs/dbraw/zinc/25/06/86/1137250686.db2.gz GFGCTDRYQIRYGT-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864962961 1137255246 /nfs/dbraw/zinc/25/52/46/1137255246.db2.gz ZOFYOQXQSCEJFH-RMKNXTFCSA-N 1 2 330.472 3.760 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)C1CC1 ZINC000794804011 1137255574 /nfs/dbraw/zinc/25/55/74/1137255574.db2.gz SALFDWARZCFNJV-SJKOYZFVSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)C1CC1 ZINC000794804011 1137255575 /nfs/dbraw/zinc/25/55/75/1137255575.db2.gz SALFDWARZCFNJV-SJKOYZFVSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000015416926 1137258059 /nfs/dbraw/zinc/25/80/59/1137258059.db2.gz SIGAXMYYLMGXGG-AWEZNQCLSA-N 1 2 334.419 3.660 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000015416926 1137258060 /nfs/dbraw/zinc/25/80/60/1137258060.db2.gz SIGAXMYYLMGXGG-AWEZNQCLSA-N 1 2 334.419 3.660 20 0 EHADLO CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000865065756 1137261314 /nfs/dbraw/zinc/26/13/14/1137261314.db2.gz UWQJQWUMZNKOCZ-TXKKKEFDSA-N 1 2 345.830 3.669 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1cccnc1F ZINC000794834244 1137271178 /nfs/dbraw/zinc/27/11/78/1137271178.db2.gz HYRYZAOLEDBBJR-ZDUSSCGKSA-N 1 2 339.183 3.899 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)sc1C ZINC001144375291 1137280438 /nfs/dbraw/zinc/28/04/38/1137280438.db2.gz OLTPJOLLMRPWRB-JSGCOSHPSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)sc1C ZINC001144375291 1137280439 /nfs/dbraw/zinc/28/04/39/1137280439.db2.gz OLTPJOLLMRPWRB-JSGCOSHPSA-N 1 2 339.505 3.638 20 0 EHADLO COc1ccc(C[NH2+]Cc2nccc(C)c2Br)cc1F ZINC000865408144 1137280937 /nfs/dbraw/zinc/28/09/37/1137280937.db2.gz TUTTWDNJHOMENU-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1cnn2cc(Nc3ccc(N(C)C4CCCCC4)[nH+]c3)cnc12 ZINC001212614093 1137291238 /nfs/dbraw/zinc/29/12/38/1137291238.db2.gz FNANJNXXOBKSCM-UHFFFAOYSA-N 1 2 336.443 3.945 20 0 EHADLO C[C@H](CC(=O)O[C@@H](Cc1ccccc1)c1cccnc1)n1cc[nH+]c1 ZINC000845497579 1137295013 /nfs/dbraw/zinc/29/50/13/1137295013.db2.gz HOPLUSHRIIJBDF-APWZRJJASA-N 1 2 335.407 3.756 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2ccnc(OC(F)F)c2)n1 ZINC000865559728 1137295211 /nfs/dbraw/zinc/29/52/11/1137295211.db2.gz YJJAYRVBYLRLSN-UHFFFAOYSA-N 1 2 327.400 3.727 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nccc(C)c1Br ZINC000865567160 1137295750 /nfs/dbraw/zinc/29/57/50/1137295750.db2.gz CFWUPYCVRQFNMZ-UHFFFAOYSA-N 1 2 338.249 3.782 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(OC(C)(C)C)c2)no1 ZINC000865573778 1137296180 /nfs/dbraw/zinc/29/61/80/1137296180.db2.gz PYEXBCFCFHADPE-UHFFFAOYSA-N 1 2 346.427 3.663 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865591922 1137297410 /nfs/dbraw/zinc/29/74/10/1137297410.db2.gz NKTYTRNRSDKMRM-JTQLQIEISA-N 1 2 331.313 3.792 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001144489810 1137300135 /nfs/dbraw/zinc/30/01/35/1137300135.db2.gz PCQGGTPGAWKKOU-GOSISDBHSA-N 1 2 331.843 3.792 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001144489810 1137300137 /nfs/dbraw/zinc/30/01/37/1137300137.db2.gz PCQGGTPGAWKKOU-GOSISDBHSA-N 1 2 331.843 3.792 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3c(F)cccc3N3CCCC3)c2c1 ZINC000865760771 1137309570 /nfs/dbraw/zinc/30/95/70/1137309570.db2.gz OBRJVZKBSPUOTL-UHFFFAOYSA-N 1 2 343.377 3.996 20 0 EHADLO Fc1ccccc1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865804054 1137312738 /nfs/dbraw/zinc/31/27/38/1137312738.db2.gz RADNZGXCTWEETF-UHFFFAOYSA-N 1 2 327.325 3.667 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c(F)c1 ZINC000865803812 1137312750 /nfs/dbraw/zinc/31/27/50/1137312750.db2.gz KOUWRAAAWBMRMJ-UHFFFAOYSA-N 1 2 345.315 3.806 20 0 EHADLO Cc1ccc(F)c(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000865804321 1137313148 /nfs/dbraw/zinc/31/31/48/1137313148.db2.gz TXNCEGZFXNXWAQ-UHFFFAOYSA-N 1 2 341.352 3.976 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)c(Br)c1 ZINC000865808362 1137313334 /nfs/dbraw/zinc/31/33/34/1137313334.db2.gz IVAANOUZOSBBHQ-UHFFFAOYSA-N 1 2 344.203 3.718 20 0 EHADLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2cnccc2o1 ZINC000845950029 1137320044 /nfs/dbraw/zinc/32/00/44/1137320044.db2.gz SNMLBMGEHWWBFQ-KGLIPLIRSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2cnccc2o1 ZINC000845950029 1137320046 /nfs/dbraw/zinc/32/00/46/1137320046.db2.gz SNMLBMGEHWWBFQ-KGLIPLIRSA-N 1 2 345.443 3.658 20 0 EHADLO CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001144640177 1137320104 /nfs/dbraw/zinc/32/01/04/1137320104.db2.gz YPSJVUPXASHJLX-ULQDDVLXSA-N 1 2 342.474 3.925 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3cnccc3o2)C[C@](C)(C(F)(F)F)O1 ZINC000845977899 1137322844 /nfs/dbraw/zinc/32/28/44/1137322844.db2.gz RXIAKPFOHOOBES-OAHLLOKOSA-N 1 2 328.334 3.760 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3cnccc3o2)C[C@](C)(C(F)(F)F)O1 ZINC000845977899 1137322845 /nfs/dbraw/zinc/32/28/45/1137322845.db2.gz RXIAKPFOHOOBES-OAHLLOKOSA-N 1 2 328.334 3.760 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc1F ZINC001144654163 1137323089 /nfs/dbraw/zinc/32/30/89/1137323089.db2.gz BJEBQNLIUKOWMN-UHFFFAOYSA-N 1 2 337.410 3.842 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc1F ZINC001144657732 1137323528 /nfs/dbraw/zinc/32/35/28/1137323528.db2.gz GAQZUDNTQAYOSO-INIZCTEOSA-N 1 2 333.378 3.852 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)cc1F ZINC001144657732 1137323530 /nfs/dbraw/zinc/32/35/30/1137323530.db2.gz GAQZUDNTQAYOSO-INIZCTEOSA-N 1 2 333.378 3.852 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794893253 1137325709 /nfs/dbraw/zinc/32/57/09/1137325709.db2.gz VVVVYAXSLUIWPC-SFHVURJKSA-N 1 2 348.491 3.893 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794893253 1137325710 /nfs/dbraw/zinc/32/57/10/1137325710.db2.gz VVVVYAXSLUIWPC-SFHVURJKSA-N 1 2 348.491 3.893 20 0 EHADLO Cc1ccc(Cl)c(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000866087458 1137328782 /nfs/dbraw/zinc/32/87/82/1137328782.db2.gz UMZDZUDRZFIQIR-UHFFFAOYSA-N 1 2 334.876 3.604 20 0 EHADLO COCc1cc[nH+]c(NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000846118245 1137333995 /nfs/dbraw/zinc/33/39/95/1137333995.db2.gz WBCYZQQZNQLZHB-GJZGRUSLSA-N 1 2 349.475 3.676 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccn1 ZINC000866222060 1137335944 /nfs/dbraw/zinc/33/59/44/1137335944.db2.gz XSXDCNUUWSVGNV-INIZCTEOSA-N 1 2 349.360 3.630 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)CCC(=O)N2 ZINC000866236636 1137337658 /nfs/dbraw/zinc/33/76/58/1137337658.db2.gz DKLYNTGAAHCNBZ-BXJCWQANSA-N 1 2 340.398 3.694 20 0 EHADLO COCCCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866309330 1137344184 /nfs/dbraw/zinc/34/41/84/1137344184.db2.gz NRRKGSZBTULRDQ-UYAOXDASSA-N 1 2 345.414 3.663 20 0 EHADLO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000866362581 1137349507 /nfs/dbraw/zinc/34/95/07/1137349507.db2.gz GDFFXDXLFKDOTR-VBKZILBWSA-N 1 2 336.414 3.820 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2cccc(SC(F)(F)F)c2)[nH]1 ZINC000866364550 1137349732 /nfs/dbraw/zinc/34/97/32/1137349732.db2.gz RGAMDJQVIJYBIG-SECBINFHSA-N 1 2 330.379 3.830 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866419824 1137353137 /nfs/dbraw/zinc/35/31/37/1137353137.db2.gz IXQFGONKUKTFEM-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866419824 1137353139 /nfs/dbraw/zinc/35/31/39/1137353139.db2.gz IXQFGONKUKTFEM-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000866451042 1137355965 /nfs/dbraw/zinc/35/59/65/1137355965.db2.gz OEGHOPMUXWQOOP-JCYILVPMSA-N 1 2 346.450 3.749 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+](C)CCC2CCOCC2)c(=S)o1 ZINC000121114544 1137361156 /nfs/dbraw/zinc/36/11/56/1137361156.db2.gz HIFUJMICGCHIOV-UHFFFAOYSA-N 1 2 347.484 3.887 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+](C)CCC2CCOCC2)c(=S)o1 ZINC000121114544 1137361158 /nfs/dbraw/zinc/36/11/58/1137361158.db2.gz HIFUJMICGCHIOV-UHFFFAOYSA-N 1 2 347.484 3.887 20 0 EHADLO C[N@H+](Cc1ccc(Br)o1)Cc1cnc(Cl)c(F)c1 ZINC000846765525 1137363983 /nfs/dbraw/zinc/36/39/83/1137363983.db2.gz SEVCOTNVSUULSM-UHFFFAOYSA-N 1 2 333.588 3.862 20 0 EHADLO C[N@@H+](Cc1ccc(Br)o1)Cc1cnc(Cl)c(F)c1 ZINC000846765525 1137363985 /nfs/dbraw/zinc/36/39/85/1137363985.db2.gz SEVCOTNVSUULSM-UHFFFAOYSA-N 1 2 333.588 3.862 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(Cl)c1 ZINC000866566793 1137365203 /nfs/dbraw/zinc/36/52/03/1137365203.db2.gz HINVVNGUNUYSPQ-VIFPVBQESA-N 1 2 329.778 3.871 20 0 EHADLO CCN1C[C@@H](C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)OC1=O ZINC000846805757 1137368301 /nfs/dbraw/zinc/36/83/01/1137368301.db2.gz IEWWGVCIJKPRPS-PMACEKPBSA-N 1 2 336.435 3.627 20 0 EHADLO CCN1C[C@@H](C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)OC1=O ZINC000846805757 1137368303 /nfs/dbraw/zinc/36/83/03/1137368303.db2.gz IEWWGVCIJKPRPS-PMACEKPBSA-N 1 2 336.435 3.627 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cn1 ZINC000866619585 1137370068 /nfs/dbraw/zinc/37/00/68/1137370068.db2.gz FHKWTYIEFNAYCF-ZDUSSCGKSA-N 1 2 344.253 3.927 20 0 EHADLO Fc1cncc([C@@H]([NH2+]Cc2ncc(Br)s2)C2CC2)c1 ZINC000866621021 1137370518 /nfs/dbraw/zinc/37/05/18/1137370518.db2.gz WZGAMKHOAHRKDQ-ZDUSSCGKSA-N 1 2 342.237 3.681 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000866627414 1137371078 /nfs/dbraw/zinc/37/10/78/1137371078.db2.gz XVXHGQFVBDBPFJ-XLIONFOSSA-N 1 2 347.478 3.685 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2c(F)cccc2F)c1C ZINC000846844172 1137371432 /nfs/dbraw/zinc/37/14/32/1137371432.db2.gz GGJCGGGJPALOOA-UHFFFAOYSA-N 1 2 348.393 3.624 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000846993054 1137380952 /nfs/dbraw/zinc/38/09/52/1137380952.db2.gz JJGOITRUGQRBFR-UHFFFAOYSA-N 1 2 332.469 3.548 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000846993054 1137380954 /nfs/dbraw/zinc/38/09/54/1137380954.db2.gz JJGOITRUGQRBFR-UHFFFAOYSA-N 1 2 332.469 3.548 20 0 EHADLO Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001204061827 1137385259 /nfs/dbraw/zinc/38/52/59/1137385259.db2.gz AJFBEGFXJFPNGR-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)C1CC=CC1)c1ccc(Cl)cc1Cl ZINC001146703361 1137392852 /nfs/dbraw/zinc/39/28/52/1137392852.db2.gz NIUYLDDCPKYCOJ-HNNXBMFYSA-N 1 2 327.255 3.679 20 0 EHADLO CC[N@H+](CC(=O)N1CCS[C@@H](C)[C@@H]1C)Cc1ccccc1Cl ZINC001146701272 1137392916 /nfs/dbraw/zinc/39/29/16/1137392916.db2.gz YYMZSQPKPXQMDL-KBPBESRZSA-N 1 2 340.920 3.514 20 0 EHADLO CC[N@@H+](CC(=O)N1CCS[C@@H](C)[C@@H]1C)Cc1ccccc1Cl ZINC001146701272 1137392917 /nfs/dbraw/zinc/39/29/17/1137392917.db2.gz YYMZSQPKPXQMDL-KBPBESRZSA-N 1 2 340.920 3.514 20 0 EHADLO CC[C@H](C(=O)N1CCCCCc2ccccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC001147549171 1137408709 /nfs/dbraw/zinc/40/87/09/1137408709.db2.gz FGNKVBZTYQTINB-RTBURBONSA-N 1 2 344.499 3.635 20 0 EHADLO CC[C@H](C(=O)N1CCCCCc2ccccc21)[N@H+]1CCO[C@H](CC)C1 ZINC001147549171 1137408710 /nfs/dbraw/zinc/40/87/10/1137408710.db2.gz FGNKVBZTYQTINB-RTBURBONSA-N 1 2 344.499 3.635 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC000868412736 1137409086 /nfs/dbraw/zinc/40/90/86/1137409086.db2.gz GKEWPSWGGMASLM-MSOLQXFVSA-N 1 2 325.456 3.646 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001148499965 1137427005 /nfs/dbraw/zinc/42/70/05/1137427005.db2.gz QFCLMPCFHMBGKY-HNNXBMFYSA-N 1 2 349.434 3.847 20 0 EHADLO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC001148878680 1137435911 /nfs/dbraw/zinc/43/59/11/1137435911.db2.gz OMAUYRCIUWTNFX-UHFFFAOYSA-N 1 2 347.418 3.733 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000348094169 1137441231 /nfs/dbraw/zinc/44/12/31/1137441231.db2.gz DANWVZSXWNTCKF-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2nc3ccccc3s2)c(C)[nH+]1 ZINC000348193417 1137449293 /nfs/dbraw/zinc/44/92/93/1137449293.db2.gz MAAUBMISQLBOEB-UHFFFAOYSA-N 1 2 340.452 3.981 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000282825831 1137454943 /nfs/dbraw/zinc/45/49/43/1137454943.db2.gz SAEIDXPHADBKBN-LLVKDONJSA-N 1 2 326.366 3.903 20 0 EHADLO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266088735 1137466152 /nfs/dbraw/zinc/46/61/52/1137466152.db2.gz ILMRPVTVPHFIHP-CQSZACIVSA-N 1 2 338.386 3.564 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccc(O)cc1)Cc1ccccc1Cl ZINC000339096010 1137470630 /nfs/dbraw/zinc/47/06/30/1137470630.db2.gz LOJSHUPXFNTEKU-UHFFFAOYSA-N 1 2 346.858 3.526 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccc(O)cc1)Cc1ccccc1Cl ZINC000339096010 1137470632 /nfs/dbraw/zinc/47/06/32/1137470632.db2.gz LOJSHUPXFNTEKU-UHFFFAOYSA-N 1 2 346.858 3.526 20 0 EHADLO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000036778959 1137473655 /nfs/dbraw/zinc/47/36/55/1137473655.db2.gz GIAQTORINNANPQ-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO CSc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)co1 ZINC000870202141 1137480902 /nfs/dbraw/zinc/48/09/02/1137480902.db2.gz LLRVJLDDRPDGAO-UHFFFAOYSA-N 1 2 335.425 3.511 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C\c1ccccc1C(F)(F)F ZINC000870303960 1137486704 /nfs/dbraw/zinc/48/67/04/1137486704.db2.gz DAPAVSWJUUARCU-HJWRWDBZSA-N 1 2 338.329 3.628 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC001171480022 1137493628 /nfs/dbraw/zinc/49/36/28/1137493628.db2.gz NHEYAGWZMWJHAQ-KFKAGJAMSA-N 1 2 333.447 3.937 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC001171480022 1137493630 /nfs/dbraw/zinc/49/36/30/1137493630.db2.gz NHEYAGWZMWJHAQ-KFKAGJAMSA-N 1 2 333.447 3.937 20 0 EHADLO O=C1C[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567527 1137498602 /nfs/dbraw/zinc/49/86/02/1137498602.db2.gz LRZKYDUWORPPNO-UYAOXDASSA-N 1 2 336.435 3.751 20 0 EHADLO O=C1C[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567527 1137498604 /nfs/dbraw/zinc/49/86/04/1137498604.db2.gz LRZKYDUWORPPNO-UYAOXDASSA-N 1 2 336.435 3.751 20 0 EHADLO O=C(Nc1cccc(F)c1O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001171632951 1137500059 /nfs/dbraw/zinc/50/00/59/1137500059.db2.gz YMUIZWIWURGSOI-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO O=C(Nc1cccc(F)c1O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001171632951 1137500061 /nfs/dbraw/zinc/50/00/61/1137500061.db2.gz YMUIZWIWURGSOI-KRWDZBQOSA-N 1 2 346.377 3.664 20 0 EHADLO CSCC[C@H]([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OC(C)C ZINC001171665983 1137502676 /nfs/dbraw/zinc/50/26/76/1137502676.db2.gz KKFMSGUTVWWMFA-WMZOPIPTSA-N 1 2 337.529 3.979 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H]2CC(C)(C)CO2)CCCCCC1 ZINC001171719364 1137506126 /nfs/dbraw/zinc/50/61/26/1137506126.db2.gz RMLOPEHZOBEVSW-HNNXBMFYSA-N 1 2 325.493 3.826 20 0 EHADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)cc(NC(=O)OC(C)(C)C)c1 ZINC000870735844 1137507814 /nfs/dbraw/zinc/50/78/14/1137507814.db2.gz JKUSLUCFMBSCPP-UHFFFAOYSA-N 1 2 344.415 3.567 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC001171778469 1137510129 /nfs/dbraw/zinc/51/01/29/1137510129.db2.gz LOZMVFMBXJHIBV-HUUCEWRRSA-N 1 2 345.439 3.999 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC001171778469 1137510131 /nfs/dbraw/zinc/51/01/31/1137510131.db2.gz LOZMVFMBXJHIBV-HUUCEWRRSA-N 1 2 345.439 3.999 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC001171820268 1137511879 /nfs/dbraw/zinc/51/18/79/1137511879.db2.gz LESSMOKGBUVQQP-UHFFFAOYSA-N 1 2 330.472 3.787 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC001171820268 1137511880 /nfs/dbraw/zinc/51/18/80/1137511880.db2.gz LESSMOKGBUVQQP-UHFFFAOYSA-N 1 2 330.472 3.787 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808162 1137513906 /nfs/dbraw/zinc/51/39/06/1137513906.db2.gz YIQHVYJOHJIIJI-LIRRHRJNSA-N 1 2 333.353 3.645 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808162 1137513907 /nfs/dbraw/zinc/51/39/07/1137513907.db2.gz YIQHVYJOHJIIJI-LIRRHRJNSA-N 1 2 333.353 3.645 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@H+](Cc2ccc(Cl)cc2)CC12CCC2 ZINC001171906313 1137517711 /nfs/dbraw/zinc/51/77/11/1137517711.db2.gz JQTISSZNOVRUHN-QGZVFWFLSA-N 1 2 325.811 3.597 20 0 EHADLO CCOC(=O)[C@]1(F)C[N@@H+](Cc2ccc(Cl)cc2)CC12CCC2 ZINC001171906313 1137517712 /nfs/dbraw/zinc/51/77/12/1137517712.db2.gz JQTISSZNOVRUHN-QGZVFWFLSA-N 1 2 325.811 3.597 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(F)(C3CC3)C1)C2 ZINC001172093138 1137532527 /nfs/dbraw/zinc/53/25/27/1137532527.db2.gz UGNXRBXIGHHHST-MUJYYYPQSA-N 1 2 338.467 3.741 20 0 EHADLO CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229840 1137542585 /nfs/dbraw/zinc/54/25/85/1137542585.db2.gz RDXTUWIGMBEUOX-MMNRESRNSA-N 1 2 349.858 3.512 20 0 EHADLO CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229840 1137542587 /nfs/dbraw/zinc/54/25/87/1137542587.db2.gz RDXTUWIGMBEUOX-MMNRESRNSA-N 1 2 349.858 3.512 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001172361949 1137554706 /nfs/dbraw/zinc/55/47/06/1137554706.db2.gz PTGJWSSXDVIHJM-FPCVCCKLSA-N 1 2 327.509 3.926 20 0 EHADLO CC(C)(C)c1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)co1 ZINC000871828424 1137559485 /nfs/dbraw/zinc/55/94/85/1137559485.db2.gz LHYCQRFAUKTGGL-UHFFFAOYSA-N 1 2 349.394 3.934 20 0 EHADLO CC(C)(C)c1cn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000871988449 1137564093 /nfs/dbraw/zinc/56/40/93/1137564093.db2.gz CIMAWLCNOBGTNQ-SJLPKXTDSA-N 1 2 328.456 3.636 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2)CCO1 ZINC000872060653 1137568852 /nfs/dbraw/zinc/56/88/52/1137568852.db2.gz RWUPTFDLHWEMAR-SZVBFZGTSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccc(O)c1F ZINC000872069234 1137569471 /nfs/dbraw/zinc/56/94/71/1137569471.db2.gz NKPDDYRRPLBCKC-JTQLQIEISA-N 1 2 344.308 3.718 20 0 EHADLO CSC[C@H]([NH2+]Cc1nonc1C)c1ccc(C(F)(F)F)cc1 ZINC000872136335 1137573739 /nfs/dbraw/zinc/57/37/39/1137573739.db2.gz MPZULACMLBVFNL-ZDUSSCGKSA-N 1 2 331.363 3.591 20 0 EHADLO CCS[C@@H](C)c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872176630 1137575181 /nfs/dbraw/zinc/57/51/81/1137575181.db2.gz WJIYMYNGVPNXSG-GZMMTYOYSA-N 1 2 331.363 3.951 20 0 EHADLO CCOC(C[N@H+](C)[C@H](C)c1ccccc1Br)OCC ZINC000123972712 1137575467 /nfs/dbraw/zinc/57/54/67/1137575467.db2.gz ZAXQZXNPZPDWJF-GFCCVEGCSA-N 1 2 330.266 3.841 20 0 EHADLO CCOC(C[N@@H+](C)[C@H](C)c1ccccc1Br)OCC ZINC000123972712 1137575468 /nfs/dbraw/zinc/57/54/68/1137575468.db2.gz ZAXQZXNPZPDWJF-GFCCVEGCSA-N 1 2 330.266 3.841 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137059076 1137579185 /nfs/dbraw/zinc/57/91/85/1137579185.db2.gz LSPMQFRLEPNKLB-UHFFFAOYSA-N 1 2 343.446 3.532 20 0 EHADLO Cc1csc([C@@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000872736531 1137583488 /nfs/dbraw/zinc/58/34/88/1137583488.db2.gz HDUODRJVTMTALP-CYBMUJFWSA-N 1 2 335.436 3.641 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ncc(Cl)s1 ZINC000873165123 1137591914 /nfs/dbraw/zinc/59/19/14/1137591914.db2.gz PLADMVTUEGWZCG-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO COc1cc(C[NH2+]Cc2ncc(Cl)s2)c(SC)cc1OC ZINC000873165320 1137591922 /nfs/dbraw/zinc/59/19/22/1137591922.db2.gz KUAIWVKSSYUTBH-UHFFFAOYSA-N 1 2 344.889 3.825 20 0 EHADLO CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC(F)(F)C1 ZINC000874255029 1137612108 /nfs/dbraw/zinc/61/21/08/1137612108.db2.gz NXJTYCJHYROZNH-UHFFFAOYSA-N 1 2 325.746 3.900 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3ccc(F)cc3C)CC2)cs1 ZINC000125032283 1137614740 /nfs/dbraw/zinc/61/47/40/1137614740.db2.gz XFUHEGKZTCMSDJ-UHFFFAOYSA-N 1 2 348.443 3.717 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000825774297 1137630398 /nfs/dbraw/zinc/63/03/98/1137630398.db2.gz WBWMRONTKMPRDN-CYBMUJFWSA-N 1 2 340.261 3.585 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000825774297 1137630399 /nfs/dbraw/zinc/63/03/99/1137630399.db2.gz WBWMRONTKMPRDN-CYBMUJFWSA-N 1 2 340.261 3.585 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000825849056 1137644753 /nfs/dbraw/zinc/64/47/53/1137644753.db2.gz CYBNHXXXJRUXIH-KZNAEPCWSA-N 1 2 325.456 3.961 20 0 EHADLO CCc1ccc(Br)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000876482847 1137653650 /nfs/dbraw/zinc/65/36/50/1137653650.db2.gz QUTMBROQPSARTI-UHFFFAOYSA-N 1 2 336.233 3.627 20 0 EHADLO CC(C)(C)OC(=O)Nc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)cn1 ZINC000876512381 1137654403 /nfs/dbraw/zinc/65/44/03/1137654403.db2.gz MVWNVXAENGLZLM-INIZCTEOSA-N 1 2 340.427 3.771 20 0 EHADLO CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)cn1 ZINC000876512381 1137654404 /nfs/dbraw/zinc/65/44/04/1137654404.db2.gz MVWNVXAENGLZLM-INIZCTEOSA-N 1 2 340.427 3.771 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876549016 1137655133 /nfs/dbraw/zinc/65/51/33/1137655133.db2.gz YFBGGJJBNYUOPI-GFCCVEGCSA-N 1 2 337.452 3.771 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876549016 1137655134 /nfs/dbraw/zinc/65/51/34/1137655134.db2.gz YFBGGJJBNYUOPI-GFCCVEGCSA-N 1 2 337.452 3.771 20 0 EHADLO COCCOc1cc(C)ccc1NCc1[nH+]cc(C)c(OC)c1C ZINC000876817617 1137662453 /nfs/dbraw/zinc/66/24/53/1137662453.db2.gz CXAMKVMQPABAQY-UHFFFAOYSA-N 1 2 330.428 3.653 20 0 EHADLO C[NH+](C)c1ccc(NCc2nnn(-c3ccccc3)c2C2CC2)cc1 ZINC000876838658 1137663312 /nfs/dbraw/zinc/66/33/12/1137663312.db2.gz SXSXJXYYHRGEMA-UHFFFAOYSA-N 1 2 333.439 3.823 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cc4ccc(Cl)nn4)CC3)oc21 ZINC000877458841 1137676988 /nfs/dbraw/zinc/67/69/88/1137676988.db2.gz BBQRAIXJNOZAJQ-UHFFFAOYSA-N 1 2 342.830 3.959 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3nc(Cl)cs3)C2=O)c(C)c1 ZINC000877470788 1137677339 /nfs/dbraw/zinc/67/73/39/1137677339.db2.gz MDXQAMUZBUETDJ-ZDUSSCGKSA-N 1 2 349.887 3.617 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C(=O)NC(C)(C)C)cc2)c1C ZINC000877493808 1137678410 /nfs/dbraw/zinc/67/84/10/1137678410.db2.gz HTESXKULKOOOHT-UHFFFAOYSA-N 1 2 341.455 3.847 20 0 EHADLO CC(C)([NH2+]Cc1cc(C(N)=O)cs1)c1nc2cc(Cl)ccc2o1 ZINC000877668568 1137685017 /nfs/dbraw/zinc/68/50/17/1137685017.db2.gz KDDQWJOVPMEULT-UHFFFAOYSA-N 1 2 349.843 3.667 20 0 EHADLO O[C@H]1CC[N@H+](Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000877672426 1137685119 /nfs/dbraw/zinc/68/51/19/1137685119.db2.gz DZUWKWNATJQKNB-DZGCQCFKSA-N 1 2 336.229 3.740 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000877672426 1137685120 /nfs/dbraw/zinc/68/51/20/1137685120.db2.gz DZUWKWNATJQKNB-DZGCQCFKSA-N 1 2 336.229 3.740 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2scnc2C2CC2)CCO1 ZINC000877755194 1137688090 /nfs/dbraw/zinc/68/80/90/1137688090.db2.gz FKWXGQLKUSZFPP-INIZCTEOSA-N 1 2 330.453 3.603 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CCO1 ZINC000877755194 1137688091 /nfs/dbraw/zinc/68/80/91/1137688091.db2.gz FKWXGQLKUSZFPP-INIZCTEOSA-N 1 2 330.453 3.603 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000877775450 1137689311 /nfs/dbraw/zinc/68/93/11/1137689311.db2.gz VYHKZSOTFDGPRS-DENIHFKCSA-N 1 2 349.478 3.571 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)CCO1 ZINC000877820003 1137691422 /nfs/dbraw/zinc/69/14/22/1137691422.db2.gz LDFYJXLFUQYVFH-LBPRGKRZSA-N 1 2 332.347 3.556 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)CCO1 ZINC000877820003 1137691423 /nfs/dbraw/zinc/69/14/23/1137691423.db2.gz LDFYJXLFUQYVFH-LBPRGKRZSA-N 1 2 332.347 3.556 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000877825096 1137692335 /nfs/dbraw/zinc/69/23/35/1137692335.db2.gz XAIZCWBYIRUYCP-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H](C(F)(F)F)O1 ZINC000877825096 1137692336 /nfs/dbraw/zinc/69/23/36/1137692336.db2.gz XAIZCWBYIRUYCP-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO FC1(F)CCC[C@H]1CCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000877938956 1137696370 /nfs/dbraw/zinc/69/63/70/1137696370.db2.gz PQLAMFSJNJVLCS-KRWDZBQOSA-N 1 2 338.442 3.509 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000877984585 1137698447 /nfs/dbraw/zinc/69/84/47/1137698447.db2.gz KEJUMHJDZNQGTO-INIZCTEOSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000877984585 1137698448 /nfs/dbraw/zinc/69/84/48/1137698448.db2.gz KEJUMHJDZNQGTO-INIZCTEOSA-N 1 2 327.465 3.566 20 0 EHADLO COc1cccc(C2CC[NH+](Cc3nccn3CC(F)F)CC2)c1 ZINC000878016931 1137699660 /nfs/dbraw/zinc/69/96/60/1137699660.db2.gz BPQMLLYUBKHPEH-UHFFFAOYSA-N 1 2 335.398 3.536 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878185579 1137706370 /nfs/dbraw/zinc/70/63/70/1137706370.db2.gz AMWWICNFIXWVNA-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878185579 1137706371 /nfs/dbraw/zinc/70/63/71/1137706371.db2.gz AMWWICNFIXWVNA-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)c1ccccc1F ZINC000878223723 1137707762 /nfs/dbraw/zinc/70/77/62/1137707762.db2.gz RDBMYFVKUHUBPH-UYAOXDASSA-N 1 2 327.399 3.597 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)c1ccccc1F ZINC000878223723 1137707763 /nfs/dbraw/zinc/70/77/63/1137707763.db2.gz RDBMYFVKUHUBPH-UYAOXDASSA-N 1 2 327.399 3.597 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)c1ccccc1F ZINC000878223718 1137707772 /nfs/dbraw/zinc/70/77/72/1137707772.db2.gz RDBMYFVKUHUBPH-AZUAARDMSA-N 1 2 327.399 3.597 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)c1ccccc1F ZINC000878223718 1137707773 /nfs/dbraw/zinc/70/77/73/1137707773.db2.gz RDBMYFVKUHUBPH-AZUAARDMSA-N 1 2 327.399 3.597 20 0 EHADLO C=C/C=C/CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000878300437 1137710383 /nfs/dbraw/zinc/71/03/83/1137710383.db2.gz DUWQXOAMTYMSQU-CSLAMCDYSA-N 1 2 343.471 3.550 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000878354179 1137712299 /nfs/dbraw/zinc/71/22/99/1137712299.db2.gz DSBZRPFHUDHAHU-LLVKDONJSA-N 1 2 346.431 3.542 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000878358592 1137712494 /nfs/dbraw/zinc/71/24/94/1137712494.db2.gz QGYJNKRLNKTYJJ-CQSZACIVSA-N 1 2 339.439 3.531 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391835 1137714128 /nfs/dbraw/zinc/71/41/28/1137714128.db2.gz JETWSMXOMJBBJP-QWRGUYRKSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391835 1137714129 /nfs/dbraw/zinc/71/41/29/1137714129.db2.gz JETWSMXOMJBBJP-QWRGUYRKSA-N 1 2 344.406 3.706 20 0 EHADLO COc1cccc(CC2CC[NH+](Cc3nccn3CC(F)F)CC2)c1 ZINC000878402526 1137714348 /nfs/dbraw/zinc/71/43/48/1137714348.db2.gz LIFHVOMWTSHBQB-UHFFFAOYSA-N 1 2 349.425 3.612 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C)cc1 ZINC000878613058 1137722271 /nfs/dbraw/zinc/72/22/71/1137722271.db2.gz DHDUYHDYBQMGTM-WBMJQRKESA-N 1 2 333.382 3.736 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]C3(c4ccccc4F)CCC3)cs2)n1 ZINC000878761864 1137727461 /nfs/dbraw/zinc/72/74/61/1137727461.db2.gz QDJHHORHTALSGW-UHFFFAOYSA-N 1 2 342.443 3.852 20 0 EHADLO CN(C)c1cc(CSCc2nc(Cc3ccccc3)no2)cc[nH+]1 ZINC000127402674 1137732018 /nfs/dbraw/zinc/73/20/18/1137732018.db2.gz QKAWMDJALHSFAJ-UHFFFAOYSA-N 1 2 340.452 3.555 20 0 EHADLO Brc1ccccc1CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878977263 1137734099 /nfs/dbraw/zinc/73/40/99/1137734099.db2.gz KASFOMBCPADJQI-HNNXBMFYSA-N 1 2 332.245 3.619 20 0 EHADLO Brc1ccccc1CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878977263 1137734100 /nfs/dbraw/zinc/73/41/00/1137734100.db2.gz KASFOMBCPADJQI-HNNXBMFYSA-N 1 2 332.245 3.619 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977788 1137734139 /nfs/dbraw/zinc/73/41/39/1137734139.db2.gz LWMRZSZDEDTDKI-CABCVRRESA-N 1 2 338.238 3.654 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977788 1137734140 /nfs/dbraw/zinc/73/41/40/1137734140.db2.gz LWMRZSZDEDTDKI-CABCVRRESA-N 1 2 338.238 3.654 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)co1 ZINC000878989139 1137734435 /nfs/dbraw/zinc/73/44/35/1137734435.db2.gz SIKKVKQJZGQSDY-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)co1 ZINC000878989139 1137734436 /nfs/dbraw/zinc/73/44/36/1137734436.db2.gz SIKKVKQJZGQSDY-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC000878997381 1137734768 /nfs/dbraw/zinc/73/47/68/1137734768.db2.gz DLDBQVYMQILVOQ-BRWVUGGUSA-N 1 2 343.389 3.950 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC000878997381 1137734769 /nfs/dbraw/zinc/73/47/69/1137734769.db2.gz DLDBQVYMQILVOQ-BRWVUGGUSA-N 1 2 343.389 3.950 20 0 EHADLO Cc1conc1C[N@@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000879011041 1137735292 /nfs/dbraw/zinc/73/52/92/1137735292.db2.gz OYFABMHRTPBRDM-UHFFFAOYSA-N 1 2 336.439 3.753 20 0 EHADLO Cc1conc1C[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000879011041 1137735293 /nfs/dbraw/zinc/73/52/93/1137735293.db2.gz OYFABMHRTPBRDM-UHFFFAOYSA-N 1 2 336.439 3.753 20 0 EHADLO OC[C@@H]([NH2+]Cc1scnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000879114626 1137738450 /nfs/dbraw/zinc/73/84/50/1137738450.db2.gz MKSRDVKFCXXHCX-SNVBAGLBSA-N 1 2 336.766 3.639 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000879151478 1137739580 /nfs/dbraw/zinc/73/95/80/1137739580.db2.gz ANCXAXHHXMBEIY-CXAGYDPISA-N 1 2 347.409 3.549 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322349 1137744577 /nfs/dbraw/zinc/74/45/77/1137744577.db2.gz VLEMNAIEWCCACE-RHSMWYFYSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322349 1137744578 /nfs/dbraw/zinc/74/45/78/1137744578.db2.gz VLEMNAIEWCCACE-RHSMWYFYSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326073 1137744592 /nfs/dbraw/zinc/74/45/92/1137744592.db2.gz PLLWJHVYQGRUKT-GHMZBOCLSA-N 1 2 339.798 3.528 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326073 1137744593 /nfs/dbraw/zinc/74/45/93/1137744593.db2.gz PLLWJHVYQGRUKT-GHMZBOCLSA-N 1 2 339.798 3.528 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](C[C@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629359 1137752760 /nfs/dbraw/zinc/75/27/60/1137752760.db2.gz MQSXYOFVLOVXNG-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](C[C@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629359 1137752761 /nfs/dbraw/zinc/75/27/61/1137752761.db2.gz MQSXYOFVLOVXNG-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000879669800 1137754712 /nfs/dbraw/zinc/75/47/12/1137754712.db2.gz VHQPLFITXIEVAB-YNEHKIRRSA-N 1 2 347.381 3.790 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1ccnn1C ZINC000879683092 1137755192 /nfs/dbraw/zinc/75/51/92/1137755192.db2.gz LWQRJVLESKGFJQ-GFCCVEGCSA-N 1 2 346.887 3.972 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)no1 ZINC000879735408 1137757068 /nfs/dbraw/zinc/75/70/68/1137757068.db2.gz VOKINQZYRGACJO-INIZCTEOSA-N 1 2 327.428 3.626 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000879781886 1137758681 /nfs/dbraw/zinc/75/86/81/1137758681.db2.gz KXESMMYBQNVJDV-MRXNPFEDSA-N 1 2 337.398 3.732 20 0 EHADLO Cc1cc(C2([NH2+]Cc3nc(C(C)(C)C)cs3)CCOCC2)on1 ZINC000626128835 1137759016 /nfs/dbraw/zinc/75/90/16/1137759016.db2.gz MJQSDIOVHVQWCC-UHFFFAOYSA-N 1 2 335.473 3.533 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000879842383 1137760547 /nfs/dbraw/zinc/76/05/47/1137760547.db2.gz TVGKGEOYFBQILX-HNNXBMFYSA-N 1 2 327.428 3.919 20 0 EHADLO CCOc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c(F)c1 ZINC000879909572 1137762161 /nfs/dbraw/zinc/76/21/61/1137762161.db2.gz QHWRNZBTQVQXKT-GOSISDBHSA-N 1 2 343.402 3.533 20 0 EHADLO CCOc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c(F)c1 ZINC000879909572 1137762162 /nfs/dbraw/zinc/76/21/62/1137762162.db2.gz QHWRNZBTQVQXKT-GOSISDBHSA-N 1 2 343.402 3.533 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1sc2cccc(F)c2c1Cl ZINC000879927965 1137762786 /nfs/dbraw/zinc/76/27/86/1137762786.db2.gz IFMKZVNKJOSHSI-SECBINFHSA-N 1 2 349.818 3.635 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](Cc3noc(-c4ccccc4C)n3)C2)n1 ZINC000880007825 1137765054 /nfs/dbraw/zinc/76/50/54/1137765054.db2.gz MNGLCRGTPTUFKF-CQSZACIVSA-N 1 2 340.452 3.799 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4C)n3)C2)n1 ZINC000880007825 1137765055 /nfs/dbraw/zinc/76/50/55/1137765055.db2.gz MNGLCRGTPTUFKF-CQSZACIVSA-N 1 2 340.452 3.799 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1nsc2ccccc21 ZINC000880021582 1137765645 /nfs/dbraw/zinc/76/56/45/1137765645.db2.gz GZAGTNZCXJKUGI-CQSZACIVSA-N 1 2 343.456 3.729 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H](C(F)(F)F)O1 ZINC000880054390 1137766693 /nfs/dbraw/zinc/76/66/93/1137766693.db2.gz FIFZEAXJULFZQU-IUODEOHRSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H](C(F)(F)F)O1 ZINC000880054390 1137766694 /nfs/dbraw/zinc/76/66/94/1137766694.db2.gz FIFZEAXJULFZQU-IUODEOHRSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H](C(F)(F)F)O1 ZINC000880054389 1137766788 /nfs/dbraw/zinc/76/67/88/1137766788.db2.gz FIFZEAXJULFZQU-DOMZBBRYSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H](C(F)(F)F)O1 ZINC000880054389 1137766789 /nfs/dbraw/zinc/76/67/89/1137766789.db2.gz FIFZEAXJULFZQU-DOMZBBRYSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)nc1 ZINC000880103156 1137768265 /nfs/dbraw/zinc/76/82/65/1137768265.db2.gz RCNQXSMKSCLYJD-QMMMGPOBSA-N 1 2 328.363 3.680 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3)o2)cc1 ZINC000880191135 1137770500 /nfs/dbraw/zinc/77/05/00/1137770500.db2.gz UDWPGPKGODALNY-OALUTQOASA-N 1 2 346.434 3.508 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3)o2)cc1 ZINC000880191135 1137770501 /nfs/dbraw/zinc/77/05/01/1137770501.db2.gz UDWPGPKGODALNY-OALUTQOASA-N 1 2 346.434 3.508 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2cc(-c3cccs3)on2)(c2ccccc2)C1 ZINC000880223361 1137771413 /nfs/dbraw/zinc/77/14/13/1137771413.db2.gz BZYFJJLEBMIGNM-RHNCMZPLSA-N 1 2 326.421 3.543 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880302131 1137774032 /nfs/dbraw/zinc/77/40/32/1137774032.db2.gz DPXZKJRCHFUVHX-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880302131 1137774033 /nfs/dbraw/zinc/77/40/33/1137774033.db2.gz DPXZKJRCHFUVHX-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO c1ccc([C@@H]2CSCCC[N@H+]2Cc2nnc3n2CCCCC3)cc1 ZINC000880389761 1137777670 /nfs/dbraw/zinc/77/76/70/1137777670.db2.gz ZLJBMORXGOSJPM-KRWDZBQOSA-N 1 2 342.512 3.685 20 0 EHADLO c1ccc([C@@H]2CSCCC[N@@H+]2Cc2nnc3n2CCCCC3)cc1 ZINC000880389761 1137777671 /nfs/dbraw/zinc/77/76/71/1137777671.db2.gz ZLJBMORXGOSJPM-KRWDZBQOSA-N 1 2 342.512 3.685 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135085 1137790034 /nfs/dbraw/zinc/79/00/34/1137790034.db2.gz SJNIIVJASQJPPD-YOEHRIQHSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135085 1137790035 /nfs/dbraw/zinc/79/00/35/1137790035.db2.gz SJNIIVJASQJPPD-YOEHRIQHSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000626134216 1137791081 /nfs/dbraw/zinc/79/10/81/1137791081.db2.gz CNRSSYFWQZOMFE-PBHICJAKSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000626134216 1137791082 /nfs/dbraw/zinc/79/10/82/1137791082.db2.gz CNRSSYFWQZOMFE-PBHICJAKSA-N 1 2 329.444 3.717 20 0 EHADLO O=C(c1ccccc1F)C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001137170856 1137817965 /nfs/dbraw/zinc/81/79/65/1137817965.db2.gz KAMZSHKNWLNNIB-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@@H]1c2sccc2CCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000882180127 1137822944 /nfs/dbraw/zinc/82/29/44/1137822944.db2.gz ARYVDTVTEPVYMT-ZYHUDNBSSA-N 1 2 343.374 3.584 20 0 EHADLO CC(C)c1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)ccc1O ZINC000882653777 1137830922 /nfs/dbraw/zinc/83/09/22/1137830922.db2.gz BRXBRWUXFACNQO-AWEZNQCLSA-N 1 2 341.333 3.844 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2nc(C(C)C)c[nH]2)s1 ZINC000883174845 1137847215 /nfs/dbraw/zinc/84/72/15/1137847215.db2.gz UBPJMZHKUKGMAN-UHFFFAOYSA-N 1 2 328.279 3.955 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000882870781 1137836157 /nfs/dbraw/zinc/83/61/57/1137836157.db2.gz QYCJRZJDVJFVAT-HBMCJLEFSA-N 1 2 345.446 3.853 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1nc2ccccc2n1C(F)F ZINC000882885164 1137836822 /nfs/dbraw/zinc/83/68/22/1137836822.db2.gz LUJVPFQDENIDET-VIFPVBQESA-N 1 2 339.777 3.669 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cc(O)ccc1Cl ZINC000882917662 1137838478 /nfs/dbraw/zinc/83/84/78/1137838478.db2.gz RTFZIALECWPXBM-UHFFFAOYSA-N 1 2 331.807 3.552 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187252165 1137846706 /nfs/dbraw/zinc/84/67/06/1137846706.db2.gz UZFANYDEDDADTG-LBPRGKRZSA-N 1 2 337.851 3.557 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187252165 1137846707 /nfs/dbraw/zinc/84/67/07/1137846707.db2.gz UZFANYDEDDADTG-LBPRGKRZSA-N 1 2 337.851 3.557 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(O)ccc2Cl)c(OC(F)F)c1 ZINC000883324757 1137854829 /nfs/dbraw/zinc/85/48/29/1137854829.db2.gz CFVTZTOPPZMTJM-UHFFFAOYSA-N 1 2 343.757 3.945 20 0 EHADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000883340937 1137855930 /nfs/dbraw/zinc/85/59/30/1137855930.db2.gz DDQDLCLCRZGINE-GOSISDBHSA-N 1 2 341.455 3.729 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)c1cn[nH]c1C)CCCC2 ZINC000883346578 1137856375 /nfs/dbraw/zinc/85/63/75/1137856375.db2.gz COLLLHHKOAWUAY-SJKOYZFVSA-N 1 2 329.444 3.854 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC001137188136 1137857677 /nfs/dbraw/zinc/85/76/77/1137857677.db2.gz QKXGRTYPJTVDMH-YTQUADARSA-N 1 2 325.456 3.875 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000883378641 1137858212 /nfs/dbraw/zinc/85/82/12/1137858212.db2.gz TUNAXNZXZZKNMD-UHFFFAOYSA-N 1 2 341.480 3.839 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000132279525 1137864953 /nfs/dbraw/zinc/86/49/53/1137864953.db2.gz IYGITTCAJDMUKE-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO Cc1ccc2c(Nc3csc(N4CCOCC4)n3)cccc2[nH+]1 ZINC001212795933 1137865960 /nfs/dbraw/zinc/86/59/60/1137865960.db2.gz JPUZOACBIHKDAD-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO Fc1ccc(C2([NH2+]Cn3nccc3-c3cccnc3)CCC2)c(F)c1 ZINC000132597219 1137867494 /nfs/dbraw/zinc/86/74/94/1137867494.db2.gz LPBVPXGYMJVMDU-UHFFFAOYSA-N 1 2 340.377 3.850 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)NCc1c[nH+]cn1C ZINC000883701801 1137867616 /nfs/dbraw/zinc/86/76/16/1137867616.db2.gz XEHSNQODPAUTIQ-HXUWFJFHSA-N 1 2 340.471 3.507 20 0 EHADLO C[C@H]1CC[N@H+](CN2C(=O)SC(C)(C)C2=O)[C@@H]1c1cccc(F)c1 ZINC000132744702 1137868909 /nfs/dbraw/zinc/86/89/09/1137868909.db2.gz YRSTXAYNHPGRHF-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@H]1CC[N@@H+](CN2C(=O)SC(C)(C)C2=O)[C@@H]1c1cccc(F)c1 ZINC000132744702 1137868910 /nfs/dbraw/zinc/86/89/10/1137868910.db2.gz YRSTXAYNHPGRHF-FZMZJTMJSA-N 1 2 336.432 3.640 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)CC(F)F ZINC000883815131 1137872023 /nfs/dbraw/zinc/87/20/23/1137872023.db2.gz BXZGADRCCGVOOM-UHFFFAOYSA-N 1 2 344.450 3.549 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000133014884 1137875668 /nfs/dbraw/zinc/87/56/68/1137875668.db2.gz YLOPICYHCNCBSV-UHFFFAOYSA-N 1 2 349.475 3.940 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)s1 ZINC000103305655 1137875984 /nfs/dbraw/zinc/87/59/84/1137875984.db2.gz DHTAJOJFPFSQQH-ZDUSSCGKSA-N 1 2 332.473 3.669 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc2[nH]ccc2c1 ZINC000103582867 1137876763 /nfs/dbraw/zinc/87/67/63/1137876763.db2.gz JWBWOQCCZJKZRS-UHFFFAOYSA-N 1 2 349.438 3.875 20 0 EHADLO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000105900673 1137882291 /nfs/dbraw/zinc/88/22/91/1137882291.db2.gz UKJYGWVSQBRPOS-GJZGRUSLSA-N 1 2 346.862 3.509 20 0 EHADLO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000105900673 1137882292 /nfs/dbraw/zinc/88/22/92/1137882292.db2.gz UKJYGWVSQBRPOS-GJZGRUSLSA-N 1 2 346.862 3.509 20 0 EHADLO C[C@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000282853134 1137883664 /nfs/dbraw/zinc/88/36/64/1137883664.db2.gz TYLLDOSKVMZNHR-KTLDDFEXSA-N 1 2 337.467 3.877 20 0 EHADLO CC(=O)c1csc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000106732708 1137884446 /nfs/dbraw/zinc/88/44/46/1137884446.db2.gz KYOFTGSKZDCBAI-CQSZACIVSA-N 1 2 348.493 3.579 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000107394055 1137886992 /nfs/dbraw/zinc/88/69/92/1137886992.db2.gz SRXAMCTWKROWJC-INIZCTEOSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCc3ccccc32)c(C)[nH+]1 ZINC000331397542 1137892979 /nfs/dbraw/zinc/89/29/79/1137892979.db2.gz ODXCFNIINONXIV-HNNXBMFYSA-N 1 2 338.455 3.580 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(-c4cccs4)no3)CC2)cs1 ZINC000109463464 1137892981 /nfs/dbraw/zinc/89/29/81/1137892981.db2.gz DNJUMLJTYGBBSH-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO O=S(=O)(/C=C\c1ccccc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000800039961 1137895429 /nfs/dbraw/zinc/89/54/29/1137895429.db2.gz VGLAUBDXFHWMBG-XFXZXTDPSA-N 1 2 343.383 3.628 20 0 EHADLO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1F ZINC001137893501 1137901279 /nfs/dbraw/zinc/90/12/79/1137901279.db2.gz XRFAVVIVRSAJQQ-UHFFFAOYSA-N 1 2 346.393 3.793 20 0 EHADLO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1F ZINC001137893501 1137901280 /nfs/dbraw/zinc/90/12/80/1137901280.db2.gz XRFAVVIVRSAJQQ-UHFFFAOYSA-N 1 2 346.393 3.793 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CC)c2ccccc2)cs1 ZINC000111376431 1137904301 /nfs/dbraw/zinc/90/43/01/1137904301.db2.gz IENBBCATUCUWAT-KGLIPLIRSA-N 1 2 331.485 3.798 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000111376162 1137904342 /nfs/dbraw/zinc/90/43/42/1137904342.db2.gz BMWQELDOCOLKSF-QLFBSQMISA-N 1 2 345.512 3.665 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000111376176 1137904404 /nfs/dbraw/zinc/90/44/04/1137904404.db2.gz LZLQDRYDSDLDJH-VHSXEESVSA-N 1 2 339.411 3.662 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000111376877 1137904564 /nfs/dbraw/zinc/90/45/64/1137904564.db2.gz SGVUHBDXVAUXJJ-YNEHKIRRSA-N 1 2 349.475 3.761 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111768759 1137905622 /nfs/dbraw/zinc/90/56/22/1137905622.db2.gz CLTRWGACZYVLLW-UHFFFAOYSA-N 1 2 346.740 3.767 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)o1 ZINC000112532481 1137908515 /nfs/dbraw/zinc/90/85/15/1137908515.db2.gz KOFMAPNCUJNSPT-ZIAGYGMSSA-N 1 2 338.411 3.764 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(F)ccc1F ZINC001202653786 1137908607 /nfs/dbraw/zinc/90/86/07/1137908607.db2.gz MRBOVLYZBARGED-UHFFFAOYSA-N 1 2 342.349 3.814 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCOc3ccccc32)c(C)[nH+]1 ZINC000331673911 1137916785 /nfs/dbraw/zinc/91/67/85/1137916785.db2.gz PFULVSURAGHZFZ-HNNXBMFYSA-N 1 2 325.412 3.695 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331953574 1137926766 /nfs/dbraw/zinc/92/67/66/1137926766.db2.gz PBKOPMYDPBPOPR-NXHRZFHOSA-N 1 2 347.503 3.593 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1CC ZINC000332401865 1137942740 /nfs/dbraw/zinc/94/27/40/1137942740.db2.gz GRHQKCLCDFJDAV-INIZCTEOSA-N 1 2 326.444 3.946 20 0 EHADLO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008773 1137946070 /nfs/dbraw/zinc/94/60/70/1137946070.db2.gz GLNDKZIQWFZYJM-ZFWWWQNUSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008773 1137946071 /nfs/dbraw/zinc/94/60/71/1137946071.db2.gz GLNDKZIQWFZYJM-ZFWWWQNUSA-N 1 2 344.484 3.801 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120842690 1137952725 /nfs/dbraw/zinc/95/27/25/1137952725.db2.gz ZFVBSDKLDAAOJL-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333200221 1137958004 /nfs/dbraw/zinc/95/80/04/1137958004.db2.gz YUSCEVNMIBLHEM-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333200221 1137958005 /nfs/dbraw/zinc/95/80/05/1137958005.db2.gz YUSCEVNMIBLHEM-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348334111 1137972990 /nfs/dbraw/zinc/97/29/90/1137972990.db2.gz NTWQRDAPPFXEFE-VIFPVBQESA-N 1 2 331.288 3.933 20 0 EHADLO COc1ccc([C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C2CCC2)cc1 ZINC000885402669 1137999624 /nfs/dbraw/zinc/99/96/24/1137999624.db2.gz JGIAUFJSFLXNOX-GOSISDBHSA-N 1 2 341.455 3.593 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000886265754 1138062917 /nfs/dbraw/zinc/06/29/17/1138062917.db2.gz QPUDCKWPTHKTQT-UHFFFAOYSA-N 1 2 337.807 3.965 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2cccc3c2CCC3)n1 ZINC000886302524 1138066144 /nfs/dbraw/zinc/06/61/44/1138066144.db2.gz PLPGFJOPJREDQH-UHFFFAOYSA-N 1 2 337.398 3.578 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H](C)C(C)C ZINC000890266047 1138070135 /nfs/dbraw/zinc/07/01/35/1138070135.db2.gz WYKLGJBSASSQDI-SJLPKXTDSA-N 1 2 328.460 3.700 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000069284363 1138087954 /nfs/dbraw/zinc/08/79/54/1138087954.db2.gz JTUSNIKSWAYBDG-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000069284363 1138087956 /nfs/dbraw/zinc/08/79/56/1138087956.db2.gz JTUSNIKSWAYBDG-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000886645223 1138105715 /nfs/dbraw/zinc/10/57/15/1138105715.db2.gz TWCNPGZICNYCOD-LBPRGKRZSA-N 1 2 346.377 3.876 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(F)c2C)c1C ZINC000072605857 1138106420 /nfs/dbraw/zinc/10/64/20/1138106420.db2.gz LHJHBVOPXXKVHK-UHFFFAOYSA-N 1 2 331.391 3.818 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000075969246 1138129410 /nfs/dbraw/zinc/12/94/10/1138129410.db2.gz CFCQYOJSIOSDML-LLVKDONJSA-N 1 2 332.341 3.735 20 0 EHADLO CC[N@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1cccc(O)c1 ZINC000080932771 1138165048 /nfs/dbraw/zinc/16/50/48/1138165048.db2.gz MQBJYATWZICFNL-GFCCVEGCSA-N 1 2 327.350 3.734 20 0 EHADLO CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1cccc(O)c1 ZINC000080932771 1138165049 /nfs/dbraw/zinc/16/50/49/1138165049.db2.gz MQBJYATWZICFNL-GFCCVEGCSA-N 1 2 327.350 3.734 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]C(C)(C)c3ccc(F)cc3F)cs2)n1 ZINC000886895266 1138169001 /nfs/dbraw/zinc/16/90/01/1138169001.db2.gz CGXACOJQVIQMML-UHFFFAOYSA-N 1 2 348.422 3.847 20 0 EHADLO CCc1ccccc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348398614 1138182133 /nfs/dbraw/zinc/18/21/33/1138182133.db2.gz CBELEASPAKIREX-UHFFFAOYSA-N 1 2 346.434 3.634 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000090088530 1138209053 /nfs/dbraw/zinc/20/90/53/1138209053.db2.gz WCFLUSBBYLNHMD-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3coc(-c4ccccc4)n3)c(C)n2n1 ZINC000091729656 1138221114 /nfs/dbraw/zinc/22/11/14/1138221114.db2.gz WPPSVQIPTHBZTK-AWEZNQCLSA-N 1 2 347.422 3.852 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)o1 ZINC000091728172 1138221155 /nfs/dbraw/zinc/22/11/55/1138221155.db2.gz PGZGQTVRICUFNZ-CXAGYDPISA-N 1 2 342.443 3.540 20 0 EHADLO COCCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093336119 1138236017 /nfs/dbraw/zinc/23/60/17/1138236017.db2.gz DGCWMUAUVHDWCT-UHFFFAOYSA-N 1 2 346.496 3.679 20 0 EHADLO COCCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093336119 1138236019 /nfs/dbraw/zinc/23/60/19/1138236019.db2.gz DGCWMUAUVHDWCT-UHFFFAOYSA-N 1 2 346.496 3.679 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768693 1138240806 /nfs/dbraw/zinc/24/08/06/1138240806.db2.gz LNWDUNQDBOPAFG-IBGZPJMESA-N 1 2 347.480 3.737 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768693 1138240809 /nfs/dbraw/zinc/24/08/09/1138240809.db2.gz LNWDUNQDBOPAFG-IBGZPJMESA-N 1 2 347.480 3.737 20 0 EHADLO O=c1c2ccccc2nc(SCCn2cc[nH+]c2)n1C1CCCC1 ZINC000121848782 1138251392 /nfs/dbraw/zinc/25/13/92/1138251392.db2.gz CDOPTQZYKQHAQU-UHFFFAOYSA-N 1 2 340.452 3.500 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123121686 1138266495 /nfs/dbraw/zinc/26/64/95/1138266495.db2.gz CXXXKLRCZKGCCC-RHSMWYFYSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123425087 1138269938 /nfs/dbraw/zinc/26/99/38/1138269938.db2.gz YQQXILBAFBNKOI-OXQOHEQNSA-N 1 2 346.434 3.668 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123628427 1138272732 /nfs/dbraw/zinc/27/27/32/1138272732.db2.gz AWPPKBUWPANGFP-ONGXEEELSA-N 1 2 344.267 3.975 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000124173740 1138280900 /nfs/dbraw/zinc/28/09/00/1138280900.db2.gz NAIRGEGZWDUCMI-NRFANRHFSA-N 1 2 349.478 3.882 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)coc21 ZINC000333550507 1138303192 /nfs/dbraw/zinc/30/31/92/1138303192.db2.gz JISSCAYDTDQKRP-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)coc21 ZINC000333550507 1138303197 /nfs/dbraw/zinc/30/31/97/1138303197.db2.gz JISSCAYDTDQKRP-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3cc(Cl)cc4c3OCC4)cc2[nH+]1 ZINC000348421066 1138309297 /nfs/dbraw/zinc/30/92/97/1138309297.db2.gz YHCABBBDOXQEKO-UHFFFAOYSA-N 1 2 341.798 3.641 20 0 EHADLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1OC(F)F ZINC000126100495 1138324190 /nfs/dbraw/zinc/32/41/90/1138324190.db2.gz NIGZHYMPHFXWNX-HOCLYGCPSA-N 1 2 334.366 3.555 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000333737102 1138326862 /nfs/dbraw/zinc/32/68/62/1138326862.db2.gz KVWGRSZDESCDEN-GOSISDBHSA-N 1 2 344.503 3.720 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+]Cc2nc(C)cs2)cc1Cl ZINC000126272108 1138327587 /nfs/dbraw/zinc/32/75/87/1138327587.db2.gz ZECBOUWCOQYGIR-JTQLQIEISA-N 1 2 326.849 3.973 20 0 EHADLO Cc1cn2cc(NC(=O)c3cn(C)nc3C3CCCCC3)ccc2[nH+]1 ZINC000263755735 1138357846 /nfs/dbraw/zinc/35/78/46/1138357846.db2.gz CQRZEEKNZUFIAJ-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCCC34CCCC4)[nH+]cn2)C1 ZINC000334029315 1138363140 /nfs/dbraw/zinc/36/31/40/1138363140.db2.gz JQTVGTCUHJNVGI-ULQDDVLXSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCCC34CCCC4)nc[nH+]2)C1 ZINC000334029315 1138363144 /nfs/dbraw/zinc/36/31/44/1138363144.db2.gz JQTVGTCUHJNVGI-ULQDDVLXSA-N 1 2 344.503 3.599 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263961572 1138398375 /nfs/dbraw/zinc/39/83/75/1138398375.db2.gz XIBJIBHYHGSSHA-KBPBESRZSA-N 1 2 347.846 3.545 20 0 EHADLO C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000336840967 1138416275 /nfs/dbraw/zinc/41/62/75/1138416275.db2.gz YRWWHVBZQVLJHH-UHFFFAOYSA-N 1 2 343.901 3.697 20 0 EHADLO C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000336840967 1138416277 /nfs/dbraw/zinc/41/62/77/1138416277.db2.gz YRWWHVBZQVLJHH-UHFFFAOYSA-N 1 2 343.901 3.697 20 0 EHADLO COc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1 ZINC000336898343 1138423217 /nfs/dbraw/zinc/42/32/17/1138423217.db2.gz AIQXQNYBWRFZEY-QGZVFWFLSA-N 1 2 348.830 3.599 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2ccc(Cl)cc2)CC1 ZINC000264146116 1138428392 /nfs/dbraw/zinc/42/83/92/1138428392.db2.gz XZPAUPXHSXEYAD-UHFFFAOYSA-N 1 2 343.858 3.775 20 0 EHADLO Fc1cccc([C@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)c1 ZINC000264201424 1138442043 /nfs/dbraw/zinc/44/20/43/1138442043.db2.gz PUSQNYSZHMZTTA-ZDUSSCGKSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1cccc([C@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)c1 ZINC000264201424 1138442044 /nfs/dbraw/zinc/44/20/44/1138442044.db2.gz PUSQNYSZHMZTTA-ZDUSSCGKSA-N 1 2 327.325 3.574 20 0 EHADLO Cc1cc(N2CCC(N3CCc4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC000337001874 1138445595 /nfs/dbraw/zinc/44/55/95/1138445595.db2.gz VCGQYGBLIDBYGB-UHFFFAOYSA-N 1 2 334.467 3.694 20 0 EHADLO C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000887580070 1138470709 /nfs/dbraw/zinc/47/07/09/1138470709.db2.gz KMEACMSIXOJDOH-KBAYOESNSA-N 1 2 338.455 3.865 20 0 EHADLO c1nc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n(-c2ccccc2)n1 ZINC000337162748 1138483231 /nfs/dbraw/zinc/48/32/31/1138483231.db2.gz VYMGGHTVMKPILW-FQEVSTJZSA-N 1 2 330.435 3.919 20 0 EHADLO c1nc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n(-c2ccccc2)n1 ZINC000337162748 1138483233 /nfs/dbraw/zinc/48/32/33/1138483233.db2.gz VYMGGHTVMKPILW-FQEVSTJZSA-N 1 2 330.435 3.919 20 0 EHADLO CC(C)n1nccc1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000337166675 1138484119 /nfs/dbraw/zinc/48/41/19/1138484119.db2.gz ZYEZVTIXISIRNR-HXUWFJFHSA-N 1 2 348.450 3.934 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2)o1 ZINC000131333453 1138510884 /nfs/dbraw/zinc/51/08/84/1138510884.db2.gz JIWQNUBWLYZFOJ-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2)o1 ZINC000131333453 1138510888 /nfs/dbraw/zinc/51/08/88/1138510888.db2.gz JIWQNUBWLYZFOJ-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337264347 1138513156 /nfs/dbraw/zinc/51/31/56/1138513156.db2.gz ZRRIIGIQKYLMHI-UHFFFAOYSA-N 1 2 334.851 3.809 20 0 EHADLO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(C)cc1 ZINC000337552663 1138603430 /nfs/dbraw/zinc/60/34/30/1138603430.db2.gz QWNXCAHNKWDPBA-QGZVFWFLSA-N 1 2 326.444 3.643 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264733115 1138620934 /nfs/dbraw/zinc/62/09/34/1138620934.db2.gz ZSXMZAZWPDPBDA-MRXNPFEDSA-N 1 2 329.469 3.687 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000337614098 1138621843 /nfs/dbraw/zinc/62/18/43/1138621843.db2.gz CZUVUUJURJOXHZ-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO CCC1(CC)CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000337626420 1138625508 /nfs/dbraw/zinc/62/55/08/1138625508.db2.gz JUCSEMXPZQARHO-HNNXBMFYSA-N 1 2 326.444 3.559 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337631912 1138627628 /nfs/dbraw/zinc/62/76/28/1138627628.db2.gz PHWCSRPRMATSNU-LJQANCHMSA-N 1 2 347.418 3.688 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000337640414 1138629981 /nfs/dbraw/zinc/62/99/81/1138629981.db2.gz FIHLPSHSDOIMTH-MRXNPFEDSA-N 1 2 343.496 3.547 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000337640414 1138629983 /nfs/dbraw/zinc/62/99/83/1138629983.db2.gz FIHLPSHSDOIMTH-MRXNPFEDSA-N 1 2 343.496 3.547 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1OCCc2ccccc21 ZINC000337645436 1138631923 /nfs/dbraw/zinc/63/19/23/1138631923.db2.gz IFOMDUSRXDARNR-OAQYLSRUSA-N 1 2 333.435 3.618 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1OCCc2ccccc21 ZINC000337645436 1138631925 /nfs/dbraw/zinc/63/19/25/1138631925.db2.gz IFOMDUSRXDARNR-OAQYLSRUSA-N 1 2 333.435 3.618 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000264819980 1138648864 /nfs/dbraw/zinc/64/88/64/1138648864.db2.gz CREUYDHRLQLENJ-SJLPKXTDSA-N 1 2 338.455 3.758 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000337761265 1138661580 /nfs/dbraw/zinc/66/15/80/1138661580.db2.gz KJLCXVXJURKPEC-UHFFFAOYSA-N 1 2 344.358 3.624 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000337977711 1138715159 /nfs/dbraw/zinc/71/51/59/1138715159.db2.gz KYULSSRONWFABG-WBMJQRKESA-N 1 2 333.407 3.816 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000337977711 1138715162 /nfs/dbraw/zinc/71/51/62/1138715162.db2.gz KYULSSRONWFABG-WBMJQRKESA-N 1 2 333.407 3.816 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061966 1138716062 /nfs/dbraw/zinc/71/60/62/1138716062.db2.gz SVQXGIVDKIXIMX-KBPBESRZSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061966 1138716065 /nfs/dbraw/zinc/71/60/65/1138716065.db2.gz SVQXGIVDKIXIMX-KBPBESRZSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000338032305 1138728194 /nfs/dbraw/zinc/72/81/94/1138728194.db2.gz VLXDHYUHSLQBLM-PSASIEDQSA-N 1 2 330.379 3.624 20 0 EHADLO O=C(COCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338117519 1138756360 /nfs/dbraw/zinc/75/63/60/1138756360.db2.gz XJGCDTDKWPUATF-UHFFFAOYSA-N 1 2 341.798 3.681 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000136418757 1138798683 /nfs/dbraw/zinc/79/86/83/1138798683.db2.gz MSNFIRYKFNEAHR-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000265303830 1138801739 /nfs/dbraw/zinc/80/17/39/1138801739.db2.gz PVKZEKWQJPVIIZ-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)N[C@H](C)Cn3cc[nH+]c3)cc2)n1 ZINC000338265460 1138807180 /nfs/dbraw/zinc/80/71/80/1138807180.db2.gz ZCJUWNRILGNEPN-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000338282031 1138814541 /nfs/dbraw/zinc/81/45/41/1138814541.db2.gz PGDURYATZFGXGS-UHFFFAOYSA-N 1 2 338.377 3.831 20 0 EHADLO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000137233625 1138840457 /nfs/dbraw/zinc/84/04/57/1138840457.db2.gz ULKOUHGPKMHHIA-INIZCTEOSA-N 1 2 334.851 3.719 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000338354982 1138850944 /nfs/dbraw/zinc/85/09/44/1138850944.db2.gz GNERTDZYXPKSRV-IAGOWNOFSA-N 1 2 340.471 3.557 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000338523298 1138955678 /nfs/dbraw/zinc/95/56/78/1138955678.db2.gz KJBZKTUMDUALBK-SFTDATJTSA-N 1 2 345.446 3.855 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCc2cccc3cccc1c32 ZINC000887875329 1138965574 /nfs/dbraw/zinc/96/55/74/1138965574.db2.gz MJOYKJHYKOLUPS-IBGZPJMESA-N 1 2 348.450 3.803 20 0 EHADLO COCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1 ZINC000151497773 1139038195 /nfs/dbraw/zinc/03/81/95/1139038195.db2.gz XMVPWCOUCSMCQY-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000152333483 1139085162 /nfs/dbraw/zinc/08/51/62/1139085162.db2.gz WJKANVJUYHRGJS-MRXNPFEDSA-N 1 2 341.455 3.593 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000152333483 1139085169 /nfs/dbraw/zinc/08/51/69/1139085169.db2.gz WJKANVJUYHRGJS-MRXNPFEDSA-N 1 2 341.455 3.593 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)c1 ZINC000153029839 1139119383 /nfs/dbraw/zinc/11/93/83/1139119383.db2.gz MXWMXFWOFKUYFX-UHFFFAOYSA-N 1 2 338.411 3.715 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC12CCC(CC1)CC2 ZINC000890247404 1139329704 /nfs/dbraw/zinc/32/97/04/1139329704.db2.gz WDTQYZUQRWQPLF-IPCDKGFNSA-N 1 2 338.455 3.646 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)c(C)[nH+]1 ZINC000890455284 1139361775 /nfs/dbraw/zinc/36/17/75/1139361775.db2.gz KEUBYQJIGKWPNI-UHFFFAOYSA-N 1 2 334.423 3.669 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3sc(C)nc3C)n2)c1 ZINC000174658772 1139433701 /nfs/dbraw/zinc/43/37/01/1139433701.db2.gz FOSXZTDMHWPJIV-LLVKDONJSA-N 1 2 344.440 3.669 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)o1 ZINC000174894526 1139449310 /nfs/dbraw/zinc/44/93/10/1139449310.db2.gz DCXYCZCPYHBISV-UHFFFAOYSA-N 1 2 347.846 3.707 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1)c1ccccc1 ZINC000175169997 1139469932 /nfs/dbraw/zinc/46/99/32/1139469932.db2.gz ILJKVNYIHAIYLQ-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1)c1ccccc1 ZINC000175169997 1139469936 /nfs/dbraw/zinc/46/99/36/1139469936.db2.gz ILJKVNYIHAIYLQ-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176283098 1139550224 /nfs/dbraw/zinc/55/02/24/1139550224.db2.gz VDRCEVONGOQQJI-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO CCCCn1c(SCCc2cccnc2)nnc1[C@@H](CC)[NH+](C)C ZINC000176539903 1139563518 /nfs/dbraw/zinc/56/35/18/1139563518.db2.gz YFAMJBKPMCUEAS-MRXNPFEDSA-N 1 2 347.532 3.821 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000176568412 1139565564 /nfs/dbraw/zinc/56/55/64/1139565564.db2.gz HOGZLJKDDYRSQY-FUHWJXTLSA-N 1 2 340.471 3.639 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000176568412 1139565571 /nfs/dbraw/zinc/56/55/71/1139565571.db2.gz HOGZLJKDDYRSQY-FUHWJXTLSA-N 1 2 340.471 3.639 20 0 EHADLO CC[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000177731636 1139636868 /nfs/dbraw/zinc/63/68/68/1139636868.db2.gz MWGZKTQFRJMLBB-YQVWRLOYSA-N 1 2 340.471 3.669 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000178234176 1139680825 /nfs/dbraw/zinc/68/08/25/1139680825.db2.gz STQWOOGMFCFXRC-FQEVSTJZSA-N 1 2 343.492 3.609 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000178234176 1139680831 /nfs/dbraw/zinc/68/08/31/1139680831.db2.gz STQWOOGMFCFXRC-FQEVSTJZSA-N 1 2 343.492 3.609 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C)n1C ZINC000178306742 1139686133 /nfs/dbraw/zinc/68/61/33/1139686133.db2.gz OIRZROXOROKMRJ-OAHLLOKOSA-N 1 2 336.867 3.663 20 0 EHADLO O=C(CCCCCc1cccs1)NCc1ccn2cc[nH+]c2c1 ZINC000178349377 1139689101 /nfs/dbraw/zinc/68/91/01/1139689101.db2.gz SRNJZTVJJFIKIK-UHFFFAOYSA-N 1 2 327.453 3.815 20 0 EHADLO CC[C@@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(OC)cc1 ZINC000178987679 1139728949 /nfs/dbraw/zinc/72/89/49/1139728949.db2.gz PVYUONDXIJUYQD-INIZCTEOSA-N 1 2 337.423 3.543 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000179159520 1139739388 /nfs/dbraw/zinc/73/93/88/1139739388.db2.gz CJGAJJOTXWBLKH-OAHLLOKOSA-N 1 2 340.452 3.713 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000179159520 1139739392 /nfs/dbraw/zinc/73/93/92/1139739392.db2.gz CJGAJJOTXWBLKH-OAHLLOKOSA-N 1 2 340.452 3.713 20 0 EHADLO CC(C)n1cc(C[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000179446156 1139757763 /nfs/dbraw/zinc/75/77/63/1139757763.db2.gz QKXJPMJVLWMFMI-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000179446156 1139757768 /nfs/dbraw/zinc/75/77/68/1139757768.db2.gz QKXJPMJVLWMFMI-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000179570784 1139764983 /nfs/dbraw/zinc/76/49/83/1139764983.db2.gz HFOBBKRDRMHXAO-LJQANCHMSA-N 1 2 338.455 3.616 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1OC ZINC000179635000 1139770629 /nfs/dbraw/zinc/77/06/29/1139770629.db2.gz QYLNCASIYGSWBF-LBPRGKRZSA-N 1 2 343.383 3.506 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](CC)c2ccccc2OC(F)F)n1 ZINC000179715710 1139777302 /nfs/dbraw/zinc/77/73/02/1139777302.db2.gz SQEBQGUCCMMHRR-ZDUSSCGKSA-N 1 2 337.370 3.587 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1c(C2CC2)nc2sccn12 ZINC000179739753 1139779535 /nfs/dbraw/zinc/77/95/35/1139779535.db2.gz YHSOQKPTCCJXAU-UHFFFAOYSA-N 1 2 331.441 3.515 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1c(C2CC2)nc2sccn12 ZINC000179739753 1139779543 /nfs/dbraw/zinc/77/95/43/1139779543.db2.gz YHSOQKPTCCJXAU-UHFFFAOYSA-N 1 2 331.441 3.515 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(C2CC2)no1 ZINC000179761948 1139780081 /nfs/dbraw/zinc/78/00/81/1139780081.db2.gz QFBYOZGOVIIGPJ-PIGZYNQJSA-N 1 2 341.411 3.520 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180073988 1139807413 /nfs/dbraw/zinc/80/74/13/1139807413.db2.gz SBSYMGJXBKEALU-MRXNPFEDSA-N 1 2 326.375 3.551 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180073988 1139807419 /nfs/dbraw/zinc/80/74/19/1139807419.db2.gz SBSYMGJXBKEALU-MRXNPFEDSA-N 1 2 326.375 3.551 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180283895 1139823927 /nfs/dbraw/zinc/82/39/27/1139823927.db2.gz DKWZJLNNMHLHDJ-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180283895 1139823937 /nfs/dbraw/zinc/82/39/37/1139823937.db2.gz DKWZJLNNMHLHDJ-UHFFFAOYSA-N 1 2 337.467 3.810 20 0 EHADLO Cc1cc([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000180428855 1139834891 /nfs/dbraw/zinc/83/48/91/1139834891.db2.gz LQYFZHFEJDMPPS-RLLQIKCJSA-N 1 2 342.483 3.591 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000181282851 1139898309 /nfs/dbraw/zinc/89/83/09/1139898309.db2.gz IBLWULVLCFHVSD-UONOGXRCSA-N 1 2 338.411 3.690 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000181282869 1139898387 /nfs/dbraw/zinc/89/83/87/1139898387.db2.gz IBLWULVLCFHVSD-ZIAGYGMSSA-N 1 2 338.411 3.690 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181507673 1139911806 /nfs/dbraw/zinc/91/18/06/1139911806.db2.gz URAOEELUSNKRGE-QGZVFWFLSA-N 1 2 337.471 3.567 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181507673 1139911811 /nfs/dbraw/zinc/91/18/11/1139911811.db2.gz URAOEELUSNKRGE-QGZVFWFLSA-N 1 2 337.471 3.567 20 0 EHADLO COCc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000181522875 1139912665 /nfs/dbraw/zinc/91/26/65/1139912665.db2.gz AJQOLKLTMYRMFL-BEFAXECRSA-N 1 2 349.434 3.925 20 0 EHADLO COCc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000181522875 1139912667 /nfs/dbraw/zinc/91/26/67/1139912667.db2.gz AJQOLKLTMYRMFL-BEFAXECRSA-N 1 2 349.434 3.925 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000181826338 1139934590 /nfs/dbraw/zinc/93/45/90/1139934590.db2.gz OPLODRBQYZDLEG-SFHVURJKSA-N 1 2 329.444 3.637 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@H](C)c3nc(COC)no3)CC2)cc1 ZINC000182381287 1139968898 /nfs/dbraw/zinc/96/88/98/1139968898.db2.gz RSEQNRGEWPBCAO-CQSZACIVSA-N 1 2 327.428 3.629 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@H](C)c3nc(COC)no3)CC2)cc1 ZINC000182381287 1139968900 /nfs/dbraw/zinc/96/89/00/1139968900.db2.gz RSEQNRGEWPBCAO-CQSZACIVSA-N 1 2 327.428 3.629 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](CCO)c2ccc(OC)cc2)cs1 ZINC000182393356 1139969679 /nfs/dbraw/zinc/96/96/79/1139969679.db2.gz AJQPDGMMDNDBTB-KRWDZBQOSA-N 1 2 334.485 3.708 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1 ZINC000182470516 1139974584 /nfs/dbraw/zinc/97/45/84/1139974584.db2.gz RICMTIHVCNPCFM-FNNPODNZSA-N 1 2 335.835 3.917 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1CC(C)C ZINC000183112453 1140014461 /nfs/dbraw/zinc/01/44/61/1140014461.db2.gz FPKSQZZNWVUTCT-KRWDZBQOSA-N 1 2 330.476 3.820 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)cs1 ZINC000183571174 1140047052 /nfs/dbraw/zinc/04/70/52/1140047052.db2.gz ZAVYHYHQTYGTTQ-QWHCGFSZSA-N 1 2 348.468 3.669 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cncc(Br)c2)n1 ZINC000183702118 1140053759 /nfs/dbraw/zinc/05/37/59/1140053759.db2.gz HIUAOPCNMVFUAE-UHFFFAOYSA-N 1 2 340.290 3.888 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184158780 1140083877 /nfs/dbraw/zinc/08/38/77/1140083877.db2.gz XPIWRHHJCFSRGG-KRWDZBQOSA-N 1 2 330.428 3.530 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000184208773 1140087869 /nfs/dbraw/zinc/08/78/69/1140087869.db2.gz DMYXXEJJPHMVLC-KRWDZBQOSA-N 1 2 349.402 3.789 20 0 EHADLO Cc1c(-c2cc(C[N@H+](Cc3ccccc3F)C3CC3)on2)cnn1C ZINC000184400847 1140100958 /nfs/dbraw/zinc/10/09/58/1140100958.db2.gz UPIKVSUSXGLUAV-UHFFFAOYSA-N 1 2 340.402 3.687 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](Cc3ccccc3F)C3CC3)on2)cnn1C ZINC000184400847 1140100962 /nfs/dbraw/zinc/10/09/62/1140100962.db2.gz UPIKVSUSXGLUAV-UHFFFAOYSA-N 1 2 340.402 3.687 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cs1 ZINC000184687879 1140115352 /nfs/dbraw/zinc/11/53/52/1140115352.db2.gz GTXCINAGVRZDAC-CQSZACIVSA-N 1 2 331.485 3.920 20 0 EHADLO CCSc1cccc(CNc2cccc(CN3CCOCC3)[nH+]2)c1 ZINC000184786636 1140119899 /nfs/dbraw/zinc/11/98/99/1140119899.db2.gz KQQPEUMHKKLNKM-UHFFFAOYSA-N 1 2 343.496 3.638 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCCCC1 ZINC000184869556 1140123410 /nfs/dbraw/zinc/12/34/10/1140123410.db2.gz DRQCNQQRBXYQFE-JKSUJKDBSA-N 1 2 341.455 3.783 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000184980345 1140129045 /nfs/dbraw/zinc/12/90/45/1140129045.db2.gz VKRZWABZGDGSAR-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000185896396 1140175759 /nfs/dbraw/zinc/17/57/59/1140175759.db2.gz PTJRYDISNBGTIX-LLVKDONJSA-N 1 2 343.254 3.599 20 0 EHADLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000185896396 1140175760 /nfs/dbraw/zinc/17/57/60/1140175760.db2.gz PTJRYDISNBGTIX-LLVKDONJSA-N 1 2 343.254 3.599 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185918533 1140176964 /nfs/dbraw/zinc/17/69/64/1140176964.db2.gz SFGOIQKSGALFOM-NSHDSACASA-N 1 2 349.422 3.605 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cs1 ZINC000186427995 1140203363 /nfs/dbraw/zinc/20/33/63/1140203363.db2.gz UARQJQKQHAVSIP-SECBINFHSA-N 1 2 332.395 3.870 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(COc3ccccc3)n[nH]1)CCC2 ZINC000186426604 1140203503 /nfs/dbraw/zinc/20/35/03/1140203503.db2.gz DPRBDONWQRZUIO-LJQANCHMSA-N 1 2 348.450 3.859 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1nc2ccc(Cl)cc2n1C ZINC000186533949 1140208463 /nfs/dbraw/zinc/20/84/63/1140208463.db2.gz VAWFTSKAXNNDNI-BXUZGUMPSA-N 1 2 333.819 3.594 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000186735482 1140219296 /nfs/dbraw/zinc/21/92/96/1140219296.db2.gz OHVPFEMDSGVWOA-HNNXBMFYSA-N 1 2 333.435 3.659 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000186735482 1140219300 /nfs/dbraw/zinc/21/93/00/1140219300.db2.gz OHVPFEMDSGVWOA-HNNXBMFYSA-N 1 2 333.435 3.659 20 0 EHADLO COc1c(Br)cccc1C[NH2+]C(C)(C)c1nccs1 ZINC000187246741 1140246245 /nfs/dbraw/zinc/24/62/45/1140246245.db2.gz WXPVVERAXMHOGC-UHFFFAOYSA-N 1 2 341.274 3.939 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCOC2CCCCCC2)c2ncc[nH]2)cc1 ZINC000188035399 1140280736 /nfs/dbraw/zinc/28/07/36/1140280736.db2.gz CTZPKENDARZYBC-SFHVURJKSA-N 1 2 331.435 3.967 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000188290369 1140290583 /nfs/dbraw/zinc/29/05/83/1140290583.db2.gz SIPKLBQBUNUZQR-UHFFFAOYSA-N 1 2 337.826 3.502 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(Cc2ccccc2Cl)CC1 ZINC000189502358 1140348189 /nfs/dbraw/zinc/34/81/89/1140348189.db2.gz YHEOKPGOCZEBBG-UHFFFAOYSA-N 1 2 343.858 3.723 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000190039951 1140381811 /nfs/dbraw/zinc/38/18/11/1140381811.db2.gz GFPCDASPFYXULD-IBGZPJMESA-N 1 2 329.371 3.676 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000190039951 1140381820 /nfs/dbraw/zinc/38/18/20/1140381820.db2.gz GFPCDASPFYXULD-IBGZPJMESA-N 1 2 329.371 3.676 20 0 EHADLO Cc1nn(C)c2ncc(CNc3ccc([N@@H+]4C[C@H]5CC[C@@H]4C5)cc3)cc12 ZINC000192216657 1140510808 /nfs/dbraw/zinc/51/08/08/1140510808.db2.gz QFYPVFGUFTWBPD-HNAYVOBHSA-N 1 2 347.466 3.878 20 0 EHADLO Cc1nn(C)c2ncc(CNc3ccc([N@H+]4C[C@H]5CC[C@@H]4C5)cc3)cc12 ZINC000192216657 1140510818 /nfs/dbraw/zinc/51/08/18/1140510818.db2.gz QFYPVFGUFTWBPD-HNAYVOBHSA-N 1 2 347.466 3.878 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1scnc1C(C)(C)C ZINC000192248203 1140514064 /nfs/dbraw/zinc/51/40/64/1140514064.db2.gz KJIPLSVLMVESQW-UHFFFAOYSA-N 1 2 348.516 3.752 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000192259502 1140516244 /nfs/dbraw/zinc/51/62/44/1140516244.db2.gz FLZUZYGGKMKVQT-CVEARBPZSA-N 1 2 345.512 3.858 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](CC)c1ccccc1 ZINC000192260468 1140516589 /nfs/dbraw/zinc/51/65/89/1140516589.db2.gz UZQUYDNHWZBLMV-GOSISDBHSA-N 1 2 327.472 3.878 20 0 EHADLO CCS(=O)(=O)C1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000193240144 1140567743 /nfs/dbraw/zinc/56/77/43/1140567743.db2.gz YBQYTWSUUZORTD-LBPRGKRZSA-N 1 2 349.418 3.666 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000266345406 1140671507 /nfs/dbraw/zinc/67/15/07/1140671507.db2.gz ADWWIDGXLNKZPQ-UHFFFAOYSA-N 1 2 342.443 3.718 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cs1 ZINC000267064959 1140755341 /nfs/dbraw/zinc/75/53/41/1140755341.db2.gz ULKNEDCCHGCRKV-RDTXWAMCSA-N 1 2 346.496 3.796 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc2c(c1)CC(=O)N2C ZINC000267083876 1140757146 /nfs/dbraw/zinc/75/71/46/1140757146.db2.gz VMVHELDCSXHAHS-OLZOCXBDSA-N 1 2 341.455 3.903 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267255757 1140772521 /nfs/dbraw/zinc/77/25/21/1140772521.db2.gz CAHJZAPSTNWNND-DLBZAZTESA-N 1 2 347.503 3.980 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(F)c1 ZINC000267265060 1140773479 /nfs/dbraw/zinc/77/34/79/1140773479.db2.gz PHQCCGWWYZDWFJ-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000267393938 1140786353 /nfs/dbraw/zinc/78/63/53/1140786353.db2.gz MXKAKDRSVIEWAE-NRMKIYEFSA-N 1 2 329.831 3.873 20 0 EHADLO CC(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)=C1CCCC1 ZINC000267844439 1140842702 /nfs/dbraw/zinc/84/27/02/1140842702.db2.gz JLTBBGQAJLBMNM-INIZCTEOSA-N 1 2 328.456 3.909 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000268129952 1140888588 /nfs/dbraw/zinc/88/85/88/1140888588.db2.gz OURAMUZEJFCYKC-KRWDZBQOSA-N 1 2 342.489 3.963 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000268129952 1140888600 /nfs/dbraw/zinc/88/86/00/1140888600.db2.gz OURAMUZEJFCYKC-KRWDZBQOSA-N 1 2 342.489 3.963 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cs1 ZINC000268286223 1140914258 /nfs/dbraw/zinc/91/42/58/1140914258.db2.gz QMNHYAOACHFCAD-SNPRPXQTSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cs1 ZINC000268286223 1140914263 /nfs/dbraw/zinc/91/42/63/1140914263.db2.gz QMNHYAOACHFCAD-SNPRPXQTSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cs1 ZINC000268286227 1140914791 /nfs/dbraw/zinc/91/47/91/1140914791.db2.gz QMNHYAOACHFCAD-YUELXQCFSA-N 1 2 336.457 3.532 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cs1 ZINC000268286227 1140914798 /nfs/dbraw/zinc/91/47/98/1140914798.db2.gz QMNHYAOACHFCAD-YUELXQCFSA-N 1 2 336.457 3.532 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)s1 ZINC000268537446 1140953269 /nfs/dbraw/zinc/95/32/69/1140953269.db2.gz KGDWSZVLMFDLMU-GFCCVEGCSA-N 1 2 348.859 4.000 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC001274434367 1140973247 /nfs/dbraw/zinc/97/32/47/1140973247.db2.gz JZIIQKMTKHQXKD-FQEVSTJZSA-N 1 2 349.409 3.878 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268731653 1140978197 /nfs/dbraw/zinc/97/81/97/1140978197.db2.gz UGLQERDBYIAOEL-HOJAQTOUSA-N 1 2 341.499 3.525 20 0 EHADLO Cc1noc(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000268843866 1141006430 /nfs/dbraw/zinc/00/64/30/1141006430.db2.gz FXAHRMFBXSNPCE-SECBINFHSA-N 1 2 332.404 3.800 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268958147 1141034055 /nfs/dbraw/zinc/03/40/55/1141034055.db2.gz AWKZRYDBNFOURZ-QGZVFWFLSA-N 1 2 348.878 3.589 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269008324 1141045202 /nfs/dbraw/zinc/04/52/02/1141045202.db2.gz YNBMHRSGVQZOCH-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000269044284 1141053947 /nfs/dbraw/zinc/05/39/47/1141053947.db2.gz HEMVCBIQBOHOFW-ZDUSSCGKSA-N 1 2 335.473 3.920 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000269081207 1141061889 /nfs/dbraw/zinc/06/18/89/1141061889.db2.gz IKQJTKBXRTUABZ-UHFFFAOYSA-N 1 2 333.863 3.654 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000269214694 1141079510 /nfs/dbraw/zinc/07/95/10/1141079510.db2.gz SFUARNHPQMJPPQ-HNNXBMFYSA-N 1 2 330.432 3.614 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nnc3n2CCCCC3)C(C)C)cc1 ZINC000269379708 1141101312 /nfs/dbraw/zinc/10/13/12/1141101312.db2.gz OYBNCHUVSWURSA-UHFFFAOYSA-N 1 2 342.487 3.814 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nnc3n2CCCCC3)C(C)C)cc1 ZINC000269379708 1141101314 /nfs/dbraw/zinc/10/13/14/1141101314.db2.gz OYBNCHUVSWURSA-UHFFFAOYSA-N 1 2 342.487 3.814 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269411504 1141104699 /nfs/dbraw/zinc/10/46/99/1141104699.db2.gz FJRGPCABNOKBFN-NVXWUHKLSA-N 1 2 343.496 3.685 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[S@@](=O)Cc1c[nH+]cn1C ZINC000269709829 1141137161 /nfs/dbraw/zinc/13/71/61/1141137161.db2.gz PMDKLGQRLJAUTA-RULNZOCKSA-N 1 2 349.843 3.738 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269735534 1141140514 /nfs/dbraw/zinc/14/05/14/1141140514.db2.gz HZKILXDNYKEVSQ-IBGZPJMESA-N 1 2 339.483 3.947 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)cc1F ZINC000269840008 1141149547 /nfs/dbraw/zinc/14/95/47/1141149547.db2.gz HJGVAJKQFZLKKO-UHFFFAOYSA-N 1 2 346.368 3.625 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000270996554 1141291652 /nfs/dbraw/zinc/29/16/52/1141291652.db2.gz JKVDFRJLKGDNAL-ZDUSSCGKSA-N 1 2 340.452 3.540 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000270996554 1141291658 /nfs/dbraw/zinc/29/16/58/1141291658.db2.gz JKVDFRJLKGDNAL-ZDUSSCGKSA-N 1 2 340.452 3.540 20 0 EHADLO CCC(CC)c1cc(C[NH2+]Cc2cc(OC)ccc2OCOC)on1 ZINC000271244570 1141332186 /nfs/dbraw/zinc/33/21/86/1141332186.db2.gz VIALSDAZFRBBRS-UHFFFAOYSA-N 1 2 348.443 3.859 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274302829 1141495475 /nfs/dbraw/zinc/49/54/75/1141495475.db2.gz FYRJEPIANTYQPQ-NRFANRHFSA-N 1 2 345.446 3.909 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339173816 1141518191 /nfs/dbraw/zinc/51/81/91/1141518191.db2.gz SDGYOQAONDMCHF-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccncc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339173816 1141518193 /nfs/dbraw/zinc/51/81/93/1141518193.db2.gz SDGYOQAONDMCHF-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccco1)Cc1ccccc1Cl ZINC000339248985 1141539753 /nfs/dbraw/zinc/53/97/53/1141539753.db2.gz VVFCEJPGWPCORN-AWEZNQCLSA-N 1 2 334.847 3.975 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccco1)Cc1ccccc1Cl ZINC000339248985 1141539755 /nfs/dbraw/zinc/53/97/55/1141539755.db2.gz VVFCEJPGWPCORN-AWEZNQCLSA-N 1 2 334.847 3.975 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000283167925 1141566594 /nfs/dbraw/zinc/56/65/94/1141566594.db2.gz WYXFGZCAEFFXDB-UHFFFAOYSA-N 1 2 340.814 3.562 20 0 EHADLO CCc1oc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000348805985 1141583040 /nfs/dbraw/zinc/58/30/40/1141583040.db2.gz FIDITNDNFWQIKT-HNNXBMFYSA-N 1 2 342.439 3.796 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)c(C)s1 ZINC000348815236 1141586153 /nfs/dbraw/zinc/58/61/53/1141586153.db2.gz WIFSYAOVCHPEFI-UHFFFAOYSA-N 1 2 349.427 3.549 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)c(C)s1 ZINC000348815236 1141586155 /nfs/dbraw/zinc/58/61/55/1141586155.db2.gz WIFSYAOVCHPEFI-UHFFFAOYSA-N 1 2 349.427 3.549 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842156 1141594271 /nfs/dbraw/zinc/59/42/71/1141594271.db2.gz DVQTVAMSYODXDF-MBHSVXNSSA-N 1 2 342.405 3.619 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842156 1141594277 /nfs/dbraw/zinc/59/42/77/1141594277.db2.gz DVQTVAMSYODXDF-MBHSVXNSSA-N 1 2 342.405 3.619 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000348866604 1141599265 /nfs/dbraw/zinc/59/92/65/1141599265.db2.gz GLPZBGMNKQXTBS-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000348866604 1141599269 /nfs/dbraw/zinc/59/92/69/1141599269.db2.gz GLPZBGMNKQXTBS-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@@H](c2ccccc2)O1 ZINC000195675004 241033081 /nfs/dbraw/zinc/03/30/81/241033081.db2.gz JVXGYWLVLWSYQE-QAPCUYQASA-N 1 2 335.407 3.699 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@@H](c2ccccc2)O1 ZINC000195675004 241033089 /nfs/dbraw/zinc/03/30/89/241033089.db2.gz JVXGYWLVLWSYQE-QAPCUYQASA-N 1 2 335.407 3.699 20 0 EHADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)sc1-c1ccc(F)cc1 ZINC000078488573 217061359 /nfs/dbraw/zinc/06/13/59/217061359.db2.gz BOLJVFFDPUWQIW-UHFFFAOYSA-N 1 2 329.400 3.526 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000078680911 217101712 /nfs/dbraw/zinc/10/17/12/217101712.db2.gz SSPAHEJQLXHJTH-CQSZACIVSA-N 1 2 339.782 3.640 20 0 EHADLO Cc1ccc(-c2nnc(SCc3cn4ccccc4[nH+]3)n2C)cc1 ZINC000010263945 211158976 /nfs/dbraw/zinc/15/89/76/211158976.db2.gz WWSQJTOEDHRJBW-UHFFFAOYSA-N 1 2 335.436 3.731 20 0 EHADLO COc1c(C)nc(C2CC2)nc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517757249 478122572 /nfs/dbraw/zinc/12/25/72/478122572.db2.gz QJAVLXWCUOJAQG-UHFFFAOYSA-N 1 2 349.438 3.528 20 0 EHADLO C[C@H](Nc1nc2ccccc2o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525460775 478394019 /nfs/dbraw/zinc/39/40/19/478394019.db2.gz OORPTBVPIZKSOY-KXBFYZLASA-N 1 2 337.423 3.529 20 0 EHADLO C[C@H](Nc1nc2ccccc2o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525460775 478394022 /nfs/dbraw/zinc/39/40/22/478394022.db2.gz OORPTBVPIZKSOY-KXBFYZLASA-N 1 2 337.423 3.529 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000027557428 518358914 /nfs/dbraw/zinc/35/89/14/518358914.db2.gz KXYZKAJDBNEIJD-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000027557428 518358926 /nfs/dbraw/zinc/35/89/26/518358926.db2.gz KXYZKAJDBNEIJD-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(C)o1 ZINC000583621827 564018195 /nfs/dbraw/zinc/01/81/95/564018195.db2.gz YGHOARGUOMNZAW-KRWDZBQOSA-N 1 2 345.443 3.901 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(C)o1 ZINC000583621827 564018196 /nfs/dbraw/zinc/01/81/96/564018196.db2.gz YGHOARGUOMNZAW-KRWDZBQOSA-N 1 2 345.443 3.901 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c(C)[nH+]1 ZINC000572277792 564089768 /nfs/dbraw/zinc/08/97/68/564089768.db2.gz RFAGNGXFXIQZFX-GOSISDBHSA-N 1 2 343.471 3.820 20 0 EHADLO Fc1ccc2oc(CN3CCC[C@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000328621181 564136969 /nfs/dbraw/zinc/13/69/69/564136969.db2.gz AJLZKDVSNGPISY-INIZCTEOSA-N 1 2 340.402 3.906 20 0 EHADLO COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000536662586 1032077680 /nfs/dbraw/zinc/07/76/80/1032077680.db2.gz JWMBUYRYHADNNX-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000536662586 1032077694 /nfs/dbraw/zinc/07/76/94/1032077694.db2.gz JWMBUYRYHADNNX-UHFFFAOYSA-N 1 2 337.288 3.991 20 0 EHADLO C[C@H](C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037019 1032083144 /nfs/dbraw/zinc/08/31/44/1032083144.db2.gz WULBLSOUFKMPBN-YJYMSZOUSA-N 1 2 333.378 3.847 20 0 EHADLO C[C@H](C[N@H+]1CCO[C@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037019 1032083161 /nfs/dbraw/zinc/08/31/61/1032083161.db2.gz WULBLSOUFKMPBN-YJYMSZOUSA-N 1 2 333.378 3.847 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(F)cc(Br)c3)ccc2[nH+]1 ZINC000339277072 1014145328 /nfs/dbraw/zinc/14/53/28/1014145328.db2.gz XDXOMMHMYUJMCC-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO Cc1cc(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c(C)c[nH+]1 ZINC000547620102 1014219088 /nfs/dbraw/zinc/21/90/88/1014219088.db2.gz YJZLWWAGCTZFDU-CQSZACIVSA-N 1 2 337.345 3.588 20 0 EHADLO Brc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc1 ZINC000246054794 1029622749 /nfs/dbraw/zinc/62/27/49/1029622749.db2.gz AENKLKKLHQDNLX-KGLIPLIRSA-N 1 2 327.291 3.704 20 0 EHADLO Brc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)nc1 ZINC000246054794 1029622756 /nfs/dbraw/zinc/62/27/56/1029622756.db2.gz AENKLKKLHQDNLX-KGLIPLIRSA-N 1 2 327.291 3.704 20 0 EHADLO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000339365981 1014283824 /nfs/dbraw/zinc/28/38/24/1014283824.db2.gz KZRPDIUEQXORPR-GFCCVEGCSA-N 1 2 331.807 3.826 20 0 EHADLO CC(C)C[C@H]([NH3+])c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000339365982 1014283989 /nfs/dbraw/zinc/28/39/89/1014283989.db2.gz KZRPDIUEQXORPR-LBPRGKRZSA-N 1 2 331.807 3.826 20 0 EHADLO O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430143436 1014317119 /nfs/dbraw/zinc/31/71/19/1014317119.db2.gz AMDPWXYGGMKZND-HXUWFJFHSA-N 1 2 347.418 3.905 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000339434245 1014432236 /nfs/dbraw/zinc/43/22/36/1014432236.db2.gz RZRNTCQXDPFPQT-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCCC2(CC2)C1 ZINC000667045511 1032093304 /nfs/dbraw/zinc/09/33/04/1032093304.db2.gz IODCCJPOQLYQNJ-MRXNPFEDSA-N 1 2 339.439 3.871 20 0 EHADLO Cn1cccc1C[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449025047 1032100263 /nfs/dbraw/zinc/10/02/63/1032100263.db2.gz AGFFZMMSLNIHKJ-UHFFFAOYSA-N 1 2 325.481 3.899 20 0 EHADLO Cn1cccc1C[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449025047 1032100274 /nfs/dbraw/zinc/10/02/74/1032100274.db2.gz AGFFZMMSLNIHKJ-UHFFFAOYSA-N 1 2 325.481 3.899 20 0 EHADLO CC[C@@H](C)n1ncc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1C1CC1 ZINC000654971563 1014702680 /nfs/dbraw/zinc/70/26/80/1014702680.db2.gz CCGXMZXQTRUBKW-GFCCVEGCSA-N 1 2 337.427 3.940 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000728195383 1014939660 /nfs/dbraw/zinc/93/96/60/1014939660.db2.gz QZKYUZPHMIASAD-QGZVFWFLSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000728195383 1014939674 /nfs/dbraw/zinc/93/96/74/1014939674.db2.gz QZKYUZPHMIASAD-QGZVFWFLSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000153438871 1125490422 /nfs/dbraw/zinc/49/04/22/1125490422.db2.gz DZRXANCJJSLNEE-GASCZTMLSA-N 1 2 342.439 3.758 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000153438871 1125490425 /nfs/dbraw/zinc/49/04/25/1125490425.db2.gz DZRXANCJJSLNEE-GASCZTMLSA-N 1 2 342.439 3.758 20 0 EHADLO CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)Cc1ccccn1 ZINC000430221519 1015079289 /nfs/dbraw/zinc/07/92/89/1015079289.db2.gz BZBVWFHICDNCSK-UHFFFAOYSA-N 1 2 334.423 3.569 20 0 EHADLO CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)Cc1ccccn1 ZINC000430221519 1015079298 /nfs/dbraw/zinc/07/92/98/1015079298.db2.gz BZBVWFHICDNCSK-UHFFFAOYSA-N 1 2 334.423 3.569 20 0 EHADLO C[C@H](CC(=O)N[C@H](CC(F)(F)F)c1ccccc1)n1cc[nH+]c1 ZINC000579838912 1015154231 /nfs/dbraw/zinc/15/42/31/1015154231.db2.gz DTSJKXNLNBPPBA-TZMCWYRMSA-N 1 2 325.334 3.644 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000154229257 1015252072 /nfs/dbraw/zinc/25/20/72/1015252072.db2.gz NDQBWVNCTFMXPL-ZMMAXQRCSA-N 1 2 340.471 3.668 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000579858088 1015325910 /nfs/dbraw/zinc/32/59/10/1015325910.db2.gz QORNYMDRIOXJNT-KRWDZBQOSA-N 1 2 337.423 3.875 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000179428727 1015386347 /nfs/dbraw/zinc/38/63/47/1015386347.db2.gz NNOBXPRFMIFKDM-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000066610599 1015389021 /nfs/dbraw/zinc/38/90/21/1015389021.db2.gz MYYLKKUDIPDMFO-HOTGVXAUSA-N 1 2 331.504 3.731 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H](CCO)c1ccccc1 ZINC000154441629 1015446261 /nfs/dbraw/zinc/44/62/61/1015446261.db2.gz OTHBJKMJPYJFHB-LBPRGKRZSA-N 1 2 330.375 3.717 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H](CCO)c1ccccc1 ZINC000154441629 1015446266 /nfs/dbraw/zinc/44/62/66/1015446266.db2.gz OTHBJKMJPYJFHB-LBPRGKRZSA-N 1 2 330.375 3.717 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260464 1015472272 /nfs/dbraw/zinc/47/22/72/1015472272.db2.gz QAOSGXPUDNVZIP-KHSSZTOVSA-N 1 2 325.399 3.684 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260464 1015472284 /nfs/dbraw/zinc/47/22/84/1015472284.db2.gz QAOSGXPUDNVZIP-KHSSZTOVSA-N 1 2 325.399 3.684 20 0 EHADLO Cc1cccnc1C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430259916 1015481240 /nfs/dbraw/zinc/48/12/40/1015481240.db2.gz OYADQEFLECSXSV-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1cccnc1C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430259916 1015481247 /nfs/dbraw/zinc/48/12/47/1015481247.db2.gz OYADQEFLECSXSV-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1OC ZINC000179628555 1015504481 /nfs/dbraw/zinc/50/44/81/1015504481.db2.gz IDDRCHCGCMPTDZ-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1OC ZINC000179628555 1015504491 /nfs/dbraw/zinc/50/44/91/1015504491.db2.gz IDDRCHCGCMPTDZ-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(CC)o1 ZINC000179627656 1015505158 /nfs/dbraw/zinc/50/51/58/1015505158.db2.gz JJWQMBUESNMEHL-UHFFFAOYSA-N 1 2 330.428 3.701 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(CC)o1 ZINC000179627656 1015505172 /nfs/dbraw/zinc/50/51/72/1015505172.db2.gz JJWQMBUESNMEHL-UHFFFAOYSA-N 1 2 330.428 3.701 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603426 990267328 /nfs/dbraw/zinc/26/73/28/990267328.db2.gz ZNGGGSDONAKUQX-XJKSGUPXSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001590603426 990267336 /nfs/dbraw/zinc/26/73/36/990267336.db2.gz ZNGGGSDONAKUQX-XJKSGUPXSA-N 1 2 347.484 3.705 20 0 EHADLO Cc1oc2ccccc2c1C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000179697786 1015556166 /nfs/dbraw/zinc/55/61/66/1015556166.db2.gz GRZJKTUSNNQJQW-UHFFFAOYSA-N 1 2 340.448 3.761 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339703699 1015566669 /nfs/dbraw/zinc/56/66/69/1015566669.db2.gz VBGUUXKUHSKJBR-KRWDZBQOSA-N 1 2 343.496 3.933 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(C=Cc3ccc(C)o3)n2)c1 ZINC000339746210 1015641490 /nfs/dbraw/zinc/64/14/90/1015641490.db2.gz SNQJDFQGLFZTOJ-SREVYHEPSA-N 1 2 342.424 3.881 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000459439087 1032123131 /nfs/dbraw/zinc/12/31/31/1032123131.db2.gz KBJCRTVMOHJPLQ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO CC(C)OC1CC([N@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000459439087 1032123134 /nfs/dbraw/zinc/12/31/34/1032123134.db2.gz KBJCRTVMOHJPLQ-UHFFFAOYSA-N 1 2 340.261 3.600 20 0 EHADLO FC(F)(F)COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000339829624 1015717944 /nfs/dbraw/zinc/71/79/44/1015717944.db2.gz GRIFOTCBCLWABQ-UHFFFAOYSA-N 1 2 340.267 3.717 20 0 EHADLO FC(F)(F)COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000339829624 1015717949 /nfs/dbraw/zinc/71/79/49/1015717949.db2.gz GRIFOTCBCLWABQ-UHFFFAOYSA-N 1 2 340.267 3.717 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Cl)c(Br)c1 ZINC000088209596 1015742358 /nfs/dbraw/zinc/74/23/58/1015742358.db2.gz BUWNBNVMEQZXNT-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC34CCC(CC3)C4)cn2c1 ZINC000339877761 1015803926 /nfs/dbraw/zinc/80/39/26/1015803926.db2.gz DRNGVNUDIVLXJJ-UHFFFAOYSA-N 1 2 343.496 3.572 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000075710749 1015818182 /nfs/dbraw/zinc/81/81/82/1015818182.db2.gz YLVJWQIERVUTBT-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000075710749 1015818187 /nfs/dbraw/zinc/81/81/87/1015818187.db2.gz YLVJWQIERVUTBT-LJQANCHMSA-N 1 2 332.394 3.604 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c2nccc(C)c2c1 ZINC000339936248 1015984224 /nfs/dbraw/zinc/98/42/24/1015984224.db2.gz OBCZYZLLFKZVNC-UHFFFAOYSA-N 1 2 348.450 3.869 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080914959 1016030989 /nfs/dbraw/zinc/03/09/89/1016030989.db2.gz QRFIDBZYHWJOEI-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080914959 1016031000 /nfs/dbraw/zinc/03/10/00/1016031000.db2.gz QRFIDBZYHWJOEI-ZDUSSCGKSA-N 1 2 347.846 3.511 20 0 EHADLO C/C(=C/C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000081318634 1016051093 /nfs/dbraw/zinc/05/10/93/1016051093.db2.gz AGXVMECXTDYXEM-HQSFBDMMSA-N 1 2 345.446 3.924 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000183144894 1032137963 /nfs/dbraw/zinc/13/79/63/1032137963.db2.gz IVMJNNHHNZKDJU-HNNXBMFYSA-N 1 2 339.443 3.695 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCCCCc1ccc(F)cc1 ZINC000275182775 1016117817 /nfs/dbraw/zinc/11/78/17/1016117817.db2.gz XLKGIJFGUAZFHH-UHFFFAOYSA-N 1 2 331.435 3.674 20 0 EHADLO OCC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCc2ccccc21 ZINC000155074356 1016124461 /nfs/dbraw/zinc/12/44/61/1016124461.db2.gz CCHRIMPYBCVEDO-ZDUSSCGKSA-N 1 2 342.386 3.644 20 0 EHADLO OCC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCc2ccccc21 ZINC000155074356 1016124466 /nfs/dbraw/zinc/12/44/66/1016124466.db2.gz CCHRIMPYBCVEDO-ZDUSSCGKSA-N 1 2 342.386 3.644 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000047522457 1016143368 /nfs/dbraw/zinc/14/33/68/1016143368.db2.gz VIZYHQCVNOYJHP-AWEZNQCLSA-N 1 2 349.438 3.585 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000047522457 1016143374 /nfs/dbraw/zinc/14/33/74/1016143374.db2.gz VIZYHQCVNOYJHP-AWEZNQCLSA-N 1 2 349.438 3.585 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000153656625 1016302843 /nfs/dbraw/zinc/30/28/43/1016302843.db2.gz ISGZNESMGFLDRP-UHFFFAOYSA-N 1 2 335.451 3.551 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000683356108 1016324675 /nfs/dbraw/zinc/32/46/75/1016324675.db2.gz QBLNZXIKSJTSHK-AWEZNQCLSA-N 1 2 348.365 3.979 20 0 EHADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000683356108 1016324686 /nfs/dbraw/zinc/32/46/86/1016324686.db2.gz QBLNZXIKSJTSHK-AWEZNQCLSA-N 1 2 348.365 3.979 20 0 EHADLO Cc1nc(C[N@H+](CCc2ccccn2)Cc2cccnc2)sc1C ZINC000430340059 1016401199 /nfs/dbraw/zinc/40/11/99/1016401199.db2.gz FEUSYAQGPICOER-UHFFFAOYSA-N 1 2 338.480 3.795 20 0 EHADLO Cc1nc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)sc1C ZINC000430340059 1016401207 /nfs/dbraw/zinc/40/12/07/1016401207.db2.gz FEUSYAQGPICOER-UHFFFAOYSA-N 1 2 338.480 3.795 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc(C)c3ccccc3n2)o1 ZINC000588180549 1016416881 /nfs/dbraw/zinc/41/68/81/1016416881.db2.gz QIHLHZHNCOFXKG-UHFFFAOYSA-N 1 2 333.395 3.520 20 0 EHADLO Brc1ccc2c(cc[nH+]c2N2CCC3(CCO3)CC2)c1 ZINC000584516775 1016436066 /nfs/dbraw/zinc/43/60/66/1016436066.db2.gz YEHZFMWTFCZYOA-UHFFFAOYSA-N 1 2 333.229 3.757 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000376565075 1016491000 /nfs/dbraw/zinc/49/10/00/1016491000.db2.gz KLZUDANGNDALOO-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000340167608 1016562014 /nfs/dbraw/zinc/56/20/14/1016562014.db2.gz WEYLMEPVNXGRQM-MRXNPFEDSA-N 1 2 345.406 3.630 20 0 EHADLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000340167607 1016563198 /nfs/dbraw/zinc/56/31/98/1016563198.db2.gz WEYLMEPVNXGRQM-INIZCTEOSA-N 1 2 345.406 3.630 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3C[C@@H]3c3ccccc3)c12 ZINC000326702545 1016577324 /nfs/dbraw/zinc/57/73/24/1016577324.db2.gz VKIBEEREJGLGCB-SJLPKXTDSA-N 1 2 327.391 3.784 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2cccc(Cl)c2)c2nnc[nH]2)cc1 ZINC000340178488 1016602520 /nfs/dbraw/zinc/60/25/20/1016602520.db2.gz PWAAZDKXYKEASH-INIZCTEOSA-N 1 2 330.794 3.519 20 0 EHADLO Cn1cccc1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000340248231 1016787232 /nfs/dbraw/zinc/78/72/32/1016787232.db2.gz SQOKCGITLKAPFE-UHFFFAOYSA-N 1 2 349.438 3.547 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(O)c1 ZINC000181499047 1016922952 /nfs/dbraw/zinc/92/29/52/1016922952.db2.gz YAXIZGHCUJFJLU-LLVKDONJSA-N 1 2 329.787 3.946 20 0 EHADLO CCCCOc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121221910 1016966199 /nfs/dbraw/zinc/96/61/99/1016966199.db2.gz FRIAIJHAROPATD-KRWDZBQOSA-N 1 2 343.471 3.977 20 0 EHADLO CCCCOc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121221910 1016966213 /nfs/dbraw/zinc/96/62/13/1016966213.db2.gz FRIAIJHAROPATD-KRWDZBQOSA-N 1 2 343.471 3.977 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)cnn1C ZINC000183336966 1032161685 /nfs/dbraw/zinc/16/16/85/1032161685.db2.gz ZAWBWLOXFQQCMZ-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000538127701 1032170114 /nfs/dbraw/zinc/17/01/14/1032170114.db2.gz RJUPYKUWROHPIT-LBPRGKRZSA-N 1 2 334.366 3.653 20 0 EHADLO FC(F)n1ccnc1C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449099402 1032178197 /nfs/dbraw/zinc/17/81/97/1032178197.db2.gz NLGYVYWZEAHNFH-UHFFFAOYSA-N 1 2 348.422 3.810 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528379060 1032186597 /nfs/dbraw/zinc/18/65/97/1032186597.db2.gz GZBQGGWNJLEUQF-SFHVURJKSA-N 1 2 335.469 3.821 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528379060 1032186600 /nfs/dbraw/zinc/18/66/00/1032186600.db2.gz GZBQGGWNJLEUQF-SFHVURJKSA-N 1 2 335.469 3.821 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3c(s2)CCC3)ccc1SC ZINC000678820822 1032190769 /nfs/dbraw/zinc/19/07/69/1032190769.db2.gz SASOIWMHNSSDJR-UHFFFAOYSA-N 1 2 334.510 3.994 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)CCC3)ccc1SC ZINC000678820822 1032190773 /nfs/dbraw/zinc/19/07/73/1032190773.db2.gz SASOIWMHNSSDJR-UHFFFAOYSA-N 1 2 334.510 3.994 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000528369354 1032199121 /nfs/dbraw/zinc/19/91/21/1032199121.db2.gz ZXTPNHJEJANJOO-SJORKVTESA-N 1 2 347.434 3.727 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000528369354 1032199131 /nfs/dbraw/zinc/19/91/31/1032199131.db2.gz ZXTPNHJEJANJOO-SJORKVTESA-N 1 2 347.434 3.727 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)[C@@H](C)CO1 ZINC000528387462 1032210110 /nfs/dbraw/zinc/21/01/10/1032210110.db2.gz GRXYWEKOGFIAEV-YWZLYKJASA-N 1 2 329.415 3.588 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)[C@@H](C)CO1 ZINC000528387462 1032210122 /nfs/dbraw/zinc/21/01/22/1032210122.db2.gz GRXYWEKOGFIAEV-YWZLYKJASA-N 1 2 329.415 3.588 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2ccccc2OCC(F)(F)F)[nH+]1 ZINC000080950035 1032225641 /nfs/dbraw/zinc/22/56/41/1032225641.db2.gz BQOBWEJEAZODGR-UHFFFAOYSA-N 1 2 336.317 3.820 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1nnc2ccccn21 ZINC000183824828 1032229316 /nfs/dbraw/zinc/22/93/16/1032229316.db2.gz BGFBECZIAHWYOH-OAHLLOKOSA-N 1 2 342.830 3.695 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459521310 1032240164 /nfs/dbraw/zinc/24/01/64/1032240164.db2.gz RGSLPLKIDMNNSI-SUMWQHHRSA-N 1 2 347.459 3.580 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459521310 1032240173 /nfs/dbraw/zinc/24/01/73/1032240173.db2.gz RGSLPLKIDMNNSI-SUMWQHHRSA-N 1 2 347.459 3.580 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459521309 1032241716 /nfs/dbraw/zinc/24/17/16/1032241716.db2.gz RGSLPLKIDMNNSI-GUYCJALGSA-N 1 2 347.459 3.580 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459521309 1032241725 /nfs/dbraw/zinc/24/17/25/1032241725.db2.gz RGSLPLKIDMNNSI-GUYCJALGSA-N 1 2 347.459 3.580 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnnn1C1CCCC1 ZINC000191554890 1032244647 /nfs/dbraw/zinc/24/46/47/1032244647.db2.gz NJEIFGVPVVMQMO-UHFFFAOYSA-N 1 2 340.456 3.575 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459533245 1032254125 /nfs/dbraw/zinc/25/41/25/1032254125.db2.gz SEGNHJCAGXMABN-PSASIEDQSA-N 1 2 338.167 3.927 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(O)c1Br ZINC000459533245 1032254139 /nfs/dbraw/zinc/25/41/39/1032254139.db2.gz SEGNHJCAGXMABN-PSASIEDQSA-N 1 2 338.167 3.927 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)cs1 ZINC000449154552 1032255062 /nfs/dbraw/zinc/25/50/62/1032255062.db2.gz IUEKOGNAJXMBDU-CYBMUJFWSA-N 1 2 342.468 3.751 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)cs1 ZINC000449154553 1032256553 /nfs/dbraw/zinc/25/65/53/1032256553.db2.gz IUEKOGNAJXMBDU-ZDUSSCGKSA-N 1 2 342.468 3.751 20 0 EHADLO Clc1cccnc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000528429746 1032264359 /nfs/dbraw/zinc/26/43/59/1032264359.db2.gz HKRADCIYGOPPDP-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO Clc1cccnc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000528429746 1032264367 /nfs/dbraw/zinc/26/43/67/1032264367.db2.gz HKRADCIYGOPPDP-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO COc1coc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1=O ZINC000459584476 1032284510 /nfs/dbraw/zinc/28/45/10/1032284510.db2.gz UKBALRFCULADMQ-LJQANCHMSA-N 1 2 325.408 3.766 20 0 EHADLO COc1coc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1=O ZINC000459584476 1032284520 /nfs/dbraw/zinc/28/45/20/1032284520.db2.gz UKBALRFCULADMQ-LJQANCHMSA-N 1 2 325.408 3.766 20 0 EHADLO OCCC1C[NH+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000459597050 1032319025 /nfs/dbraw/zinc/31/90/25/1032319025.db2.gz UKONHJPWXIRNJE-UHFFFAOYSA-N 1 2 343.279 3.931 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C)(C3CC3)CC1)C2 ZINC000461199599 1032324365 /nfs/dbraw/zinc/32/43/65/1032324365.db2.gz QAKBWFIYYSHGHJ-AWEZNQCLSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C)(C3CC3)CC1)CC2 ZINC000461199599 1032324373 /nfs/dbraw/zinc/32/43/73/1032324373.db2.gz QAKBWFIYYSHGHJ-AWEZNQCLSA-N 1 2 329.488 3.677 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cc(C)oc3C)n2)cc1 ZINC000278753280 1032341915 /nfs/dbraw/zinc/34/19/15/1032341915.db2.gz OAOFQWLXTSAEAJ-CQSZACIVSA-N 1 2 325.412 3.942 20 0 EHADLO CCC[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C)cc1 ZINC000584397812 1032383496 /nfs/dbraw/zinc/38/34/96/1032383496.db2.gz HWDPKXWYYJGYLY-UHFFFAOYSA-N 1 2 337.510 3.872 20 0 EHADLO CCC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C)cc1 ZINC000584397812 1032383504 /nfs/dbraw/zinc/38/35/04/1032383504.db2.gz HWDPKXWYYJGYLY-UHFFFAOYSA-N 1 2 337.510 3.872 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000528510493 1032386699 /nfs/dbraw/zinc/38/66/99/1032386699.db2.gz VDNPMSDFARBXQF-UKRRQHHQSA-N 1 2 326.362 3.634 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000528510493 1032386709 /nfs/dbraw/zinc/38/67/09/1032386709.db2.gz VDNPMSDFARBXQF-UKRRQHHQSA-N 1 2 326.362 3.634 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000528518934 1032395238 /nfs/dbraw/zinc/39/52/38/1032395238.db2.gz KSSFETZCWPEWSU-GFCCVEGCSA-N 1 2 348.231 3.974 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000528518934 1032395248 /nfs/dbraw/zinc/39/52/48/1032395248.db2.gz KSSFETZCWPEWSU-GFCCVEGCSA-N 1 2 348.231 3.974 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cs1 ZINC000083423661 1032396936 /nfs/dbraw/zinc/39/69/36/1032396936.db2.gz RVDTZVMEGMRKCK-UHFFFAOYSA-N 1 2 333.432 3.620 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424602 1032397058 /nfs/dbraw/zinc/39/70/58/1032397058.db2.gz HMURHVHUWPQUQX-NSHDSACASA-N 1 2 335.249 3.508 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3csc(C)c3)n2)c1 ZINC000449281314 1032400780 /nfs/dbraw/zinc/40/07/80/1032400780.db2.gz YZMUHFNKKLULJS-GFCCVEGCSA-N 1 2 329.425 3.966 20 0 EHADLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000459705208 1032413176 /nfs/dbraw/zinc/41/31/76/1032413176.db2.gz HPLHAGJRIATQRX-ZDUSSCGKSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000459705208 1032413183 /nfs/dbraw/zinc/41/31/83/1032413183.db2.gz HPLHAGJRIATQRX-ZDUSSCGKSA-N 1 2 345.270 3.823 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c2ccccc21 ZINC000343781741 1032414835 /nfs/dbraw/zinc/41/48/35/1032414835.db2.gz BHKRLKBKKOYWOS-AUUYWEPGSA-N 1 2 336.414 3.804 20 0 EHADLO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1noc(C2CC2)n1 ZINC000449303979 1032422422 /nfs/dbraw/zinc/42/24/22/1032422422.db2.gz YJCZFTUNNXCBIO-SECBINFHSA-N 1 2 342.226 3.811 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCCc4sccc43)[nH]2)cc1 ZINC000536906915 1032420280 /nfs/dbraw/zinc/42/02/80/1032420280.db2.gz YRDQHHKUISXSPB-CQSZACIVSA-N 1 2 328.416 3.840 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCCc4sccc43)n2)cc1 ZINC000536906915 1032420289 /nfs/dbraw/zinc/42/02/89/1032420289.db2.gz YRDQHHKUISXSPB-CQSZACIVSA-N 1 2 328.416 3.840 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc2cccnc2o1 ZINC000449291717 1032432656 /nfs/dbraw/zinc/43/26/56/1032432656.db2.gz NSYTZVYVYJQAQN-ROUUACIJSA-N 1 2 336.391 3.707 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc2cccnc2o1 ZINC000449291717 1032432662 /nfs/dbraw/zinc/43/26/62/1032432662.db2.gz NSYTZVYVYJQAQN-ROUUACIJSA-N 1 2 336.391 3.707 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000185522119 1032438776 /nfs/dbraw/zinc/43/87/76/1032438776.db2.gz BORVGHZWYULLQA-UHFFFAOYSA-N 1 2 329.469 3.797 20 0 EHADLO Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000500916665 1032450214 /nfs/dbraw/zinc/45/02/14/1032450214.db2.gz QTGCFRRSBVZEOT-KRWDZBQOSA-N 1 2 343.471 3.569 20 0 EHADLO Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000500916665 1032450220 /nfs/dbraw/zinc/45/02/20/1032450220.db2.gz QTGCFRRSBVZEOT-KRWDZBQOSA-N 1 2 343.471 3.569 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccn(C)n1 ZINC000459766747 1032469401 /nfs/dbraw/zinc/46/94/01/1032469401.db2.gz PSSJICRCVXVJGN-AWEZNQCLSA-N 1 2 326.469 3.513 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459766913 1032469460 /nfs/dbraw/zinc/46/94/60/1032469460.db2.gz YBROJVADVVFVKC-BFUOFWGJSA-N 1 2 342.389 3.643 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000459766913 1032469464 /nfs/dbraw/zinc/46/94/64/1032469464.db2.gz YBROJVADVVFVKC-BFUOFWGJSA-N 1 2 342.389 3.643 20 0 EHADLO Cc1cc(NC(=O)N2CCC(F)(c3ccccc3)CC2)c(C)c[nH+]1 ZINC000579911429 1017089533 /nfs/dbraw/zinc/08/95/33/1017089533.db2.gz JGTWGISXXLDBQW-UHFFFAOYSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c(C)o1 ZINC000659825730 1017098662 /nfs/dbraw/zinc/09/86/62/1017098662.db2.gz FGZDVRBYXXZPKC-CYBMUJFWSA-N 1 2 333.863 3.824 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCc3c(F)cccc32)cs1 ZINC000449353194 1032492198 /nfs/dbraw/zinc/49/21/98/1032492198.db2.gz YWFXUGBITMNHSM-KRWDZBQOSA-N 1 2 347.459 3.822 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000449358003 1032497330 /nfs/dbraw/zinc/49/73/30/1032497330.db2.gz BQBOPYFJVLYCBL-SCRDCRAPSA-N 1 2 349.418 3.641 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000449358003 1032497334 /nfs/dbraw/zinc/49/73/34/1032497334.db2.gz BQBOPYFJVLYCBL-SCRDCRAPSA-N 1 2 349.418 3.641 20 0 EHADLO COc1cc(C[NH2+][C@H](C)C(C)(F)F)ccc1OCc1ccncc1 ZINC000449413886 1032517636 /nfs/dbraw/zinc/51/76/36/1032517636.db2.gz KNGXTEDMEUBYQY-CYBMUJFWSA-N 1 2 336.382 3.803 20 0 EHADLO COc1ccccc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449401212 1032524341 /nfs/dbraw/zinc/52/43/41/1032524341.db2.gz LXICFLDOLVBZON-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccc(Cl)c2)n(C)c1=S ZINC000162213679 1032524900 /nfs/dbraw/zinc/52/49/00/1032524900.db2.gz UUHWSGSWXTUEGF-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccc(Cl)c2)n(C)c1=S ZINC000162213679 1032524903 /nfs/dbraw/zinc/52/49/03/1032524903.db2.gz UUHWSGSWXTUEGF-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000459915310 1032525738 /nfs/dbraw/zinc/52/57/38/1032525738.db2.gz AUZAUJSMLPXBJF-YVEFUNNKSA-N 1 2 330.453 3.957 20 0 EHADLO COc1ccccc1-c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000449406705 1032528531 /nfs/dbraw/zinc/52/85/31/1032528531.db2.gz ZSUDFVNIPCGWMD-UHFFFAOYSA-N 1 2 334.423 3.648 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(N(C)C)c3ccccc3n2)c(C)[nH+]1 ZINC000459933041 1032529989 /nfs/dbraw/zinc/52/99/89/1032529989.db2.gz QCYLUXBQSHEUDK-UHFFFAOYSA-N 1 2 334.423 3.873 20 0 EHADLO CCc1cc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)on1 ZINC000089703749 1032538563 /nfs/dbraw/zinc/53/85/63/1032538563.db2.gz NFOWHTFUDOXTQX-CQSZACIVSA-N 1 2 339.208 3.916 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431706 1032547279 /nfs/dbraw/zinc/54/72/79/1032547279.db2.gz ZDAXCXZJEYPCJD-QFBILLFUSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431706 1032547282 /nfs/dbraw/zinc/54/72/82/1032547282.db2.gz ZDAXCXZJEYPCJD-QFBILLFUSA-N 1 2 349.833 3.649 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Oc2ccccc2)cc1 ZINC000090172631 1032577779 /nfs/dbraw/zinc/57/77/79/1032577779.db2.gz GIZSUROLRPESHW-CQSZACIVSA-N 1 2 335.411 3.651 20 0 EHADLO COc1cccc([C@H](C)OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000761003625 1032613759 /nfs/dbraw/zinc/61/37/59/1032613759.db2.gz UDOHYMWMANAZPN-HOTGVXAUSA-N 1 2 339.435 3.746 20 0 EHADLO COc1cccc([C@H](C)OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000761003625 1032613771 /nfs/dbraw/zinc/61/37/71/1032613771.db2.gz UDOHYMWMANAZPN-HOTGVXAUSA-N 1 2 339.435 3.746 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000606293100 1032615233 /nfs/dbraw/zinc/61/52/33/1032615233.db2.gz KZBLYYJHHWLVHU-QGZVFWFLSA-N 1 2 335.451 3.583 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@@H](C)C2 ZINC000449482789 1032628012 /nfs/dbraw/zinc/62/80/12/1032628012.db2.gz DAMGAXHOXUNCRM-ZBEGNZNMSA-N 1 2 334.261 3.514 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000255597739 1032633364 /nfs/dbraw/zinc/63/33/64/1032633364.db2.gz VGICFZFQRVJCCG-AINHQSCGSA-N 1 2 341.842 3.533 20 0 EHADLO CC(C)CCn1nc(C[NH2+]Cc2c(Cl)cnn2C)c2ccccc21 ZINC000449488724 1032645619 /nfs/dbraw/zinc/64/56/19/1032645619.db2.gz KNGXIIGSTGWCTI-UHFFFAOYSA-N 1 2 345.878 3.759 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000606365857 1032652095 /nfs/dbraw/zinc/65/20/95/1032652095.db2.gz YIKVNPTWCOGPIK-IEBWSBKVSA-N 1 2 325.456 3.939 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000606412585 1032664770 /nfs/dbraw/zinc/66/47/70/1032664770.db2.gz VRIDZGALQUZVFH-OAHLLOKOSA-N 1 2 349.409 3.830 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)oc(C)c3C)CC2)s1 ZINC000606394729 1032671449 /nfs/dbraw/zinc/67/14/49/1032671449.db2.gz DVUPUZFSANMUOJ-UHFFFAOYSA-N 1 2 346.496 3.787 20 0 EHADLO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000593047000 1032680365 /nfs/dbraw/zinc/68/03/65/1032680365.db2.gz QRGPQJDOGCSPQW-GFCCVEGCSA-N 1 2 349.818 3.692 20 0 EHADLO CSCC1(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000593053441 1032684293 /nfs/dbraw/zinc/68/42/93/1032684293.db2.gz GNKTXDBOYOXWMK-UHFFFAOYSA-N 1 2 347.528 3.612 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606450350 1032690751 /nfs/dbraw/zinc/69/07/51/1032690751.db2.gz XJCXASORXIRFLJ-LSDHHAIUSA-N 1 2 326.415 3.622 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000606450350 1032690760 /nfs/dbraw/zinc/69/07/60/1032690760.db2.gz XJCXASORXIRFLJ-LSDHHAIUSA-N 1 2 326.415 3.622 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287161333 1017335340 /nfs/dbraw/zinc/33/53/40/1017335340.db2.gz RRSUYGYCEXOOJR-UHFFFAOYSA-N 1 2 340.471 3.691 20 0 EHADLO CC[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000892760612 1017354717 /nfs/dbraw/zinc/35/47/17/1017354717.db2.gz YEQBFYPBBVQVAC-MRVPVSSYSA-N 1 2 331.367 3.581 20 0 EHADLO CC[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1nc(C(F)(F)F)cs1 ZINC000892760612 1017354730 /nfs/dbraw/zinc/35/47/30/1017354730.db2.gz YEQBFYPBBVQVAC-MRVPVSSYSA-N 1 2 331.367 3.581 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450758 1032694378 /nfs/dbraw/zinc/69/43/78/1032694378.db2.gz QAMFZZGPVUTCLZ-LSDHHAIUSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450758 1032694394 /nfs/dbraw/zinc/69/43/94/1032694394.db2.gz QAMFZZGPVUTCLZ-LSDHHAIUSA-N 1 2 338.426 3.723 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCc3cc(F)cc(Br)c3C2)CO1 ZINC000626133775 1032702039 /nfs/dbraw/zinc/70/20/39/1032702039.db2.gz UDQNKXNGBHRFNL-LBPRGKRZSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCc3cc(F)cc(Br)c3C2)CO1 ZINC000626133775 1032702049 /nfs/dbraw/zinc/70/20/49/1032702049.db2.gz UDQNKXNGBHRFNL-LBPRGKRZSA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)(C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430443122 1017482783 /nfs/dbraw/zinc/48/27/83/1017482783.db2.gz SZOFTYFUHZIGCS-UHFFFAOYSA-N 1 2 348.878 3.794 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1C(C)C ZINC000081798025 1032705501 /nfs/dbraw/zinc/70/55/01/1032705501.db2.gz XSYPDBWQBBQESP-WBVHZDCISA-N 1 2 343.471 3.535 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc(Br)cc1F ZINC000655768186 1017554492 /nfs/dbraw/zinc/55/44/92/1017554492.db2.gz RMAWLZPPJHVLPF-YGRLFVJLSA-N 1 2 338.224 3.970 20 0 EHADLO Cc1cccc(C[NH2+]Cc2cc3n(n2)CCCC3)c1Br ZINC000655763280 1017560989 /nfs/dbraw/zinc/56/09/89/1017560989.db2.gz LQSKPFJNAQVLDG-UHFFFAOYSA-N 1 2 334.261 3.580 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000375618117 1017616758 /nfs/dbraw/zinc/61/67/58/1017616758.db2.gz MMAMTEGDXQENEN-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000375618117 1017616769 /nfs/dbraw/zinc/61/67/69/1017616769.db2.gz MMAMTEGDXQENEN-UHFFFAOYSA-N 1 2 338.386 3.504 20 0 EHADLO CCc1ccc([C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C(C)C)cc1 ZINC000655793798 1017617233 /nfs/dbraw/zinc/61/72/33/1017617233.db2.gz CZPHKWURHUSXMZ-AEFFLSMTSA-N 1 2 328.460 3.706 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794567 1017624170 /nfs/dbraw/zinc/62/41/70/1017624170.db2.gz PDZWHQFXJATJER-ZBFHGGJFSA-N 1 2 328.460 3.502 20 0 EHADLO CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794786 1017627775 /nfs/dbraw/zinc/62/77/75/1017627775.db2.gz RKKYPCPEOLUZKD-JKSUJKDBSA-N 1 2 346.500 3.563 20 0 EHADLO CC(C)(C)C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000655796830 1017635702 /nfs/dbraw/zinc/63/57/02/1017635702.db2.gz JMYOWQCQVYKQLL-CVEARBPZSA-N 1 2 328.460 3.923 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000655799636 1017637865 /nfs/dbraw/zinc/63/78/65/1017637865.db2.gz KXIAXTMEIHEOJL-MFKMUULPSA-N 1 2 340.349 3.526 20 0 EHADLO Cc1ccccc1-c1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000655819647 1017692293 /nfs/dbraw/zinc/69/22/93/1017692293.db2.gz MUCCKUDJXVAJOV-LJQANCHMSA-N 1 2 348.450 3.921 20 0 EHADLO Clc1cc(CNc2ccc(N3CCOCC3)[nH+]c2)c(Cl)s1 ZINC000312558235 1017718028 /nfs/dbraw/zinc/71/80/28/1017718028.db2.gz LMVQJNAYLTYIHM-UHFFFAOYSA-N 1 2 344.267 3.899 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000377382231 1017724671 /nfs/dbraw/zinc/72/46/71/1017724671.db2.gz KPIPQLLHANDDOD-BTDLBPIBSA-N 1 2 331.778 3.739 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ncc(Br)cn1 ZINC000340425802 1017740193 /nfs/dbraw/zinc/74/01/93/1017740193.db2.gz UMPKMDJIYYQYIE-XPTSAGLGSA-N 1 2 336.208 3.716 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000574097992 1032721112 /nfs/dbraw/zinc/72/11/12/1032721112.db2.gz GVYKJMSRNCYFQV-DOXZYTNZSA-N 1 2 325.456 3.632 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000574097992 1032721123 /nfs/dbraw/zinc/72/11/23/1032721123.db2.gz GVYKJMSRNCYFQV-DOXZYTNZSA-N 1 2 325.456 3.632 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000574098562 1032721398 /nfs/dbraw/zinc/72/13/98/1032721398.db2.gz QLQLUGSWUBTRBC-LIRRHRJNSA-N 1 2 336.439 3.823 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000574098562 1032721415 /nfs/dbraw/zinc/72/14/15/1032721415.db2.gz QLQLUGSWUBTRBC-LIRRHRJNSA-N 1 2 336.439 3.823 20 0 EHADLO CC1(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000377406071 1017769152 /nfs/dbraw/zinc/76/91/52/1017769152.db2.gz XXQPZCOQCIOEQQ-INIZCTEOSA-N 1 2 329.488 3.896 20 0 EHADLO CCC[N@H+](CCc1ccccn1)[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639169097 1017793143 /nfs/dbraw/zinc/79/31/43/1017793143.db2.gz CCWKLANWZDEADM-GOSISDBHSA-N 1 2 327.476 3.776 20 0 EHADLO CCC[N@@H+](CCc1ccccn1)[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639169097 1017793156 /nfs/dbraw/zinc/79/31/56/1017793156.db2.gz CCWKLANWZDEADM-GOSISDBHSA-N 1 2 327.476 3.776 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856189 1017797001 /nfs/dbraw/zinc/79/70/01/1017797001.db2.gz LKSFFLUGBGEZCQ-HZPDHXFCSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856189 1017797017 /nfs/dbraw/zinc/79/70/17/1017797017.db2.gz LKSFFLUGBGEZCQ-HZPDHXFCSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)sc21 ZINC000377435180 1017797136 /nfs/dbraw/zinc/79/71/36/1017797136.db2.gz PTSUYOLLRJSMCS-UHFFFAOYSA-N 1 2 325.437 3.884 20 0 EHADLO Oc1ccc([C@@H]2CC[N@H+](Cc3nc(Br)cs3)C2)cc1 ZINC001207000277 1017910728 /nfs/dbraw/zinc/91/07/28/1017910728.db2.gz WULMHFKSATVLLH-LLVKDONJSA-N 1 2 339.258 3.601 20 0 EHADLO Oc1ccc([C@@H]2CC[N@@H+](Cc3nc(Br)cs3)C2)cc1 ZINC001207000277 1017910738 /nfs/dbraw/zinc/91/07/38/1017910738.db2.gz WULMHFKSATVLLH-LLVKDONJSA-N 1 2 339.258 3.601 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1C ZINC000574236569 1032734710 /nfs/dbraw/zinc/73/47/10/1032734710.db2.gz IMRAIGJNUSULQZ-KRWDZBQOSA-N 1 2 349.434 3.745 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)sc2C1 ZINC000449543584 1032734744 /nfs/dbraw/zinc/73/47/44/1032734744.db2.gz TVQWNGVIAFAQPE-DNVCBOLYSA-N 1 2 331.529 3.530 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)sc2C1 ZINC000449543584 1032734760 /nfs/dbraw/zinc/73/47/60/1032734760.db2.gz TVQWNGVIAFAQPE-DNVCBOLYSA-N 1 2 331.529 3.530 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc(CC(F)(F)F)s2)o1 ZINC000892955606 1017969389 /nfs/dbraw/zinc/96/93/89/1017969389.db2.gz JODUHASMLXUDJR-LBPRGKRZSA-N 1 2 348.390 3.881 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)c(C(C)C)c1 ZINC001167322427 1018018801 /nfs/dbraw/zinc/01/88/01/1018018801.db2.gz VLIXUHZEGMYHES-FGZHOGPDSA-N 1 2 344.543 3.964 20 0 EHADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000431846010 1018025811 /nfs/dbraw/zinc/02/58/11/1018025811.db2.gz QRILKOWSROMZOR-VGOFRKELSA-N 1 2 345.446 3.694 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661535118 1018029704 /nfs/dbraw/zinc/02/97/04/1018029704.db2.gz FMQXMEHYSOIYCU-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661535118 1018029718 /nfs/dbraw/zinc/02/97/18/1018029718.db2.gz FMQXMEHYSOIYCU-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO Cc1n[nH]c2cc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)ccc12 ZINC000091836078 1032740181 /nfs/dbraw/zinc/74/01/81/1032740181.db2.gz HFKSHAMQUBZACP-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622177 1018081198 /nfs/dbraw/zinc/08/11/98/1018081198.db2.gz IJXZXXCMDHGOBI-CYBMUJFWSA-N 1 2 336.482 3.759 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622177 1018081207 /nfs/dbraw/zinc/08/12/07/1018081207.db2.gz IJXZXXCMDHGOBI-CYBMUJFWSA-N 1 2 336.482 3.759 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(F)cc3)n2)on1 ZINC000728706934 1018201927 /nfs/dbraw/zinc/20/19/27/1018201927.db2.gz YIYCAHHTQLBHJW-KRWDZBQOSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cn2ccc(-c3ccc(F)cc3)n2)on1 ZINC000728706934 1018201936 /nfs/dbraw/zinc/20/19/36/1018201936.db2.gz YIYCAHHTQLBHJW-KRWDZBQOSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)CCCOc3ccccc3)ccc2[nH+]1 ZINC000606569568 1032751595 /nfs/dbraw/zinc/75/15/95/1032751595.db2.gz HDTKMCYTRGMIMO-UHFFFAOYSA-N 1 2 338.411 3.576 20 0 EHADLO Cc1c(F)cccc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001204512073 1018262349 /nfs/dbraw/zinc/26/23/49/1018262349.db2.gz CCPNYDBXYBGNDM-KRWDZBQOSA-N 1 2 326.406 3.830 20 0 EHADLO Cc1nc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)cs1 ZINC000656026612 1018267778 /nfs/dbraw/zinc/26/77/78/1018267778.db2.gz MPPDKPNDUBLILL-ZDUSSCGKSA-N 1 2 334.832 3.806 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(F)cc1 ZINC000460656283 1018271259 /nfs/dbraw/zinc/27/12/59/1018271259.db2.gz NXZOVYGOUXLBQI-UHFFFAOYSA-N 1 2 327.403 3.636 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000606570008 1032753717 /nfs/dbraw/zinc/75/37/17/1032753717.db2.gz MBMJCDZZMHGYOA-AWEZNQCLSA-N 1 2 338.411 3.924 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3c(F)cccc3Cl)ccc2[nH+]1 ZINC000606570372 1032754200 /nfs/dbraw/zinc/75/42/00/1032754200.db2.gz OMQHODNSHDSEHD-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000163783370 1018329345 /nfs/dbraw/zinc/32/93/45/1018329345.db2.gz RYYNHTOAEAFHDC-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000651071753 1018391602 /nfs/dbraw/zinc/39/16/02/1018391602.db2.gz VYJJJSVQUQYVLW-KRWDZBQOSA-N 1 2 343.858 3.779 20 0 EHADLO O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000606580960 1032765304 /nfs/dbraw/zinc/76/53/04/1032765304.db2.gz LDDVBNIWDBRDSS-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737216 1018465388 /nfs/dbraw/zinc/46/53/88/1018465388.db2.gz UOOWKAPASXRYHA-GJZGRUSLSA-N 1 2 339.505 3.517 20 0 EHADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737216 1018465398 /nfs/dbraw/zinc/46/53/98/1018465398.db2.gz UOOWKAPASXRYHA-GJZGRUSLSA-N 1 2 339.505 3.517 20 0 EHADLO CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582342 1032767235 /nfs/dbraw/zinc/76/72/35/1032767235.db2.gz LCMKSDDSORGYKZ-UHFFFAOYSA-N 1 2 337.408 3.608 20 0 EHADLO COc1ccc([C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C2CC2)cc1 ZINC000606581742 1032767357 /nfs/dbraw/zinc/76/73/57/1032767357.db2.gz OTZIRIGVOWPXCQ-GOSISDBHSA-N 1 2 336.395 3.616 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584113 1032770165 /nfs/dbraw/zinc/77/01/65/1032770165.db2.gz BHLPSLURGMAIMM-CQSZACIVSA-N 1 2 326.425 3.937 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340576934 1018567100 /nfs/dbraw/zinc/56/71/00/1018567100.db2.gz DVKSTQXNAYAWNN-HNNXBMFYSA-N 1 2 337.398 3.904 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)o1 ZINC000580066000 1018582588 /nfs/dbraw/zinc/58/25/88/1018582588.db2.gz HKIFMMYVSBRZIE-OLMNPRSZSA-N 1 2 349.434 3.965 20 0 EHADLO Fc1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)nc1 ZINC000340583682 1018589730 /nfs/dbraw/zinc/58/97/30/1018589730.db2.gz IZALGOBBCFHEHD-CQSZACIVSA-N 1 2 339.183 3.899 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC(C)C ZINC000683794435 1018597397 /nfs/dbraw/zinc/59/73/97/1018597397.db2.gz LKRNOCQVZBFFKE-QGZVFWFLSA-N 1 2 342.443 3.848 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1F ZINC000049970867 1018702888 /nfs/dbraw/zinc/70/28/88/1018702888.db2.gz ODKKMYVEABJWBK-UHFFFAOYSA-N 1 2 333.794 3.767 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1F ZINC000049970867 1018702901 /nfs/dbraw/zinc/70/29/01/1018702901.db2.gz ODKKMYVEABJWBK-UHFFFAOYSA-N 1 2 333.794 3.767 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000580151996 1018711191 /nfs/dbraw/zinc/71/11/91/1018711191.db2.gz GSMGRZLPEZUWRP-UHFFFAOYSA-N 1 2 336.414 3.786 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cs1 ZINC000052159500 1018758039 /nfs/dbraw/zinc/75/80/39/1018758039.db2.gz LEZHLWFTCFHXBJ-UHFFFAOYSA-N 1 2 349.544 3.737 20 0 EHADLO COc1ccc(CN(C)C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000255211318 1018820808 /nfs/dbraw/zinc/82/08/08/1018820808.db2.gz XFRDWHPHAXVTOX-GHXNOFRVSA-N 1 2 347.418 3.553 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000683842478 1018836887 /nfs/dbraw/zinc/83/68/87/1018836887.db2.gz WYXSFJCPBFGLLJ-GFCCVEGCSA-N 1 2 326.824 3.979 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000683842478 1018836910 /nfs/dbraw/zinc/83/69/10/1018836910.db2.gz WYXSFJCPBFGLLJ-GFCCVEGCSA-N 1 2 326.824 3.979 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000513073406 1018894346 /nfs/dbraw/zinc/89/43/46/1018894346.db2.gz DQMQXGNLGSMUIE-WKILWMFISA-N 1 2 340.496 3.696 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000513073406 1018894369 /nfs/dbraw/zinc/89/43/69/1018894369.db2.gz DQMQXGNLGSMUIE-WKILWMFISA-N 1 2 340.496 3.696 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340643101 1019059329 /nfs/dbraw/zinc/05/93/29/1019059329.db2.gz UGUZPGDPXAYUJF-CWRNSKLLSA-N 1 2 329.831 3.573 20 0 EHADLO COCCCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000419385755 1019088620 /nfs/dbraw/zinc/08/86/20/1019088620.db2.gz LNYVLVCPLOPAMA-UHFFFAOYSA-N 1 2 347.484 3.686 20 0 EHADLO COCCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000419385755 1019088637 /nfs/dbraw/zinc/08/86/37/1019088637.db2.gz LNYVLVCPLOPAMA-UHFFFAOYSA-N 1 2 347.484 3.686 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000894204688 1019156371 /nfs/dbraw/zinc/15/63/71/1019156371.db2.gz SDKRCVUVDSDNIZ-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nc(Cl)ccc1Cl ZINC000047514611 1019251428 /nfs/dbraw/zinc/25/14/28/1019251428.db2.gz CJBBKVPBELKFTC-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000052803597 1019267003 /nfs/dbraw/zinc/26/70/03/1019267003.db2.gz PESCWUUFUFZVIW-INIZCTEOSA-N 1 2 344.484 3.835 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000052803597 1019267015 /nfs/dbraw/zinc/26/70/15/1019267015.db2.gz PESCWUUFUFZVIW-INIZCTEOSA-N 1 2 344.484 3.835 20 0 EHADLO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000247266284 1019338426 /nfs/dbraw/zinc/33/84/26/1019338426.db2.gz FOKORCOZDRCGOH-VQTJNVASSA-N 1 2 329.415 3.549 20 0 EHADLO Cc1cc(C)cc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000247266284 1019338440 /nfs/dbraw/zinc/33/84/40/1019338440.db2.gz FOKORCOZDRCGOH-VQTJNVASSA-N 1 2 329.415 3.549 20 0 EHADLO Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279973216 1019343590 /nfs/dbraw/zinc/34/35/90/1019343590.db2.gz JKCWWADULPNIFW-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO COc1ccsc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000471581225 1019440755 /nfs/dbraw/zinc/44/07/55/1019440755.db2.gz NCVXSHSKGZIQDX-MJBXVCDLSA-N 1 2 347.484 3.938 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccncc1 ZINC000129866007 1019454369 /nfs/dbraw/zinc/45/43/69/1019454369.db2.gz ZPMCGCCEHUZYSG-CQSZACIVSA-N 1 2 344.484 3.656 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2(CC(=O)OC(C)(C)C)CCC2)c(C)[nH+]1 ZINC000593216147 1032835618 /nfs/dbraw/zinc/83/56/18/1032835618.db2.gz ODELTBSUJTWYCG-UHFFFAOYSA-N 1 2 347.459 3.783 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000683967445 1019537943 /nfs/dbraw/zinc/53/79/43/1019537943.db2.gz NIERHXLZJXLPTA-QGZVFWFLSA-N 1 2 344.842 3.656 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471588915 1019554749 /nfs/dbraw/zinc/55/47/49/1019554749.db2.gz DEDUEMYOJMEZGC-IRXDYDNUSA-N 1 2 328.460 3.688 20 0 EHADLO Cc1cc(OCC[N@@H+]2CCOC[C@@H]2CC(F)F)ccc1C(C)C ZINC000513406908 1019626838 /nfs/dbraw/zinc/62/68/38/1019626838.db2.gz ZCIGSFPGHRAICV-HNNXBMFYSA-N 1 2 327.415 3.853 20 0 EHADLO Cc1cc(OCC[N@H+]2CCOC[C@@H]2CC(F)F)ccc1C(C)C ZINC000513406908 1019626850 /nfs/dbraw/zinc/62/68/50/1019626850.db2.gz ZCIGSFPGHRAICV-HNNXBMFYSA-N 1 2 327.415 3.853 20 0 EHADLO CC[C@@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)c(C)c1 ZINC000564834682 1019677026 /nfs/dbraw/zinc/67/70/26/1019677026.db2.gz WQFZFHOKBISZFN-IAQYHMDHSA-N 1 2 335.498 3.981 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000683996329 1019695055 /nfs/dbraw/zinc/69/50/55/1019695055.db2.gz PGQYPKHQNMNYLD-RYUDHWBXSA-N 1 2 345.306 3.544 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000683996329 1019695072 /nfs/dbraw/zinc/69/50/72/1019695072.db2.gz PGQYPKHQNMNYLD-RYUDHWBXSA-N 1 2 345.306 3.544 20 0 EHADLO C[C@H]1C[C@H](Nc2cc[nH+]c3c(Br)cccc23)c2ncnn21 ZINC000664188298 1019706504 /nfs/dbraw/zinc/70/65/04/1019706504.db2.gz UIKNHVKTMDFNQD-ZANVPECISA-N 1 2 344.216 3.707 20 0 EHADLO COc1ncc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1F ZINC001203397995 1019708416 /nfs/dbraw/zinc/70/84/16/1019708416.db2.gz NUOYOEZLWZQLNQ-UHFFFAOYSA-N 1 2 334.351 3.715 20 0 EHADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513459095 1019715910 /nfs/dbraw/zinc/71/59/10/1019715910.db2.gz XOUIXNNWAKGDIN-IAQYHMDHSA-N 1 2 329.362 3.740 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000656260136 1019724601 /nfs/dbraw/zinc/72/46/01/1019724601.db2.gz RZMGDZCHHCZWCA-FQEVSTJZSA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000656260136 1019724617 /nfs/dbraw/zinc/72/46/17/1019724617.db2.gz RZMGDZCHHCZWCA-FQEVSTJZSA-N 1 2 335.455 3.939 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000664196160 1019736802 /nfs/dbraw/zinc/73/68/02/1019736802.db2.gz JACARTVANCHNOW-SFHVURJKSA-N 1 2 341.846 3.618 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 ZINC000152672547 1019800436 /nfs/dbraw/zinc/80/04/36/1019800436.db2.gz AZIFKEVNXMILMM-INIZCTEOSA-N 1 2 349.434 3.637 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)c1nccc(N)n1 ZINC000580657482 1019804094 /nfs/dbraw/zinc/80/40/94/1019804094.db2.gz OYYYZZJIZYEDHV-JTQLQIEISA-N 1 2 325.243 3.779 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)c1nccc(N)n1 ZINC000580657482 1019804109 /nfs/dbraw/zinc/80/41/09/1019804109.db2.gz OYYYZZJIZYEDHV-JTQLQIEISA-N 1 2 325.243 3.779 20 0 EHADLO CC(C)OCCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580666760 1019820000 /nfs/dbraw/zinc/82/00/00/1019820000.db2.gz GHIHZXUJTKXLJE-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)OCCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580666760 1019820015 /nfs/dbraw/zinc/82/00/15/1019820015.db2.gz GHIHZXUJTKXLJE-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1F ZINC000684021969 1019834308 /nfs/dbraw/zinc/83/43/08/1019834308.db2.gz ZTXNLWAODXSKSR-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO O=C(NC1CCC2(CC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000433999616 1019867666 /nfs/dbraw/zinc/86/76/66/1019867666.db2.gz QGXQWFCZLGYVKK-GOSISDBHSA-N 1 2 344.524 3.616 20 0 EHADLO FC1(F)CC(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000580701482 1019878823 /nfs/dbraw/zinc/87/88/23/1019878823.db2.gz GEXJRDJEKQKNQL-UHFFFAOYSA-N 1 2 329.354 3.663 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2cccc(C)c2)c1C ZINC000606839869 1032860875 /nfs/dbraw/zinc/86/08/75/1032860875.db2.gz ZMGQOLQGWDSFPA-OAHLLOKOSA-N 1 2 326.440 3.778 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3ccccc3s2)c1C ZINC000050449018 1019928740 /nfs/dbraw/zinc/92/87/40/1019928740.db2.gz BQWWOWQTWQBEJA-UHFFFAOYSA-N 1 2 326.421 3.852 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000123122795 1019962646 /nfs/dbraw/zinc/96/26/46/1019962646.db2.gz NWIDOGVXWROIFV-QRWLVFNGSA-N 1 2 348.450 3.771 20 0 EHADLO Cc1c(Br)ccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1F ZINC000684049425 1019987296 /nfs/dbraw/zinc/98/72/96/1019987296.db2.gz XJMGMXIIHMCIAO-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cs1 ZINC000048047722 1020045021 /nfs/dbraw/zinc/04/50/21/1020045021.db2.gz XMVRPDYKIURAFP-OAHLLOKOSA-N 1 2 349.544 3.737 20 0 EHADLO CC[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000345293887 1020133806 /nfs/dbraw/zinc/13/38/06/1020133806.db2.gz BTOWQRQOTXJRGC-FQEVSTJZSA-N 1 2 333.435 3.741 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000255845235 1020152366 /nfs/dbraw/zinc/15/23/66/1020152366.db2.gz KZMMLBGPZREDKH-JDSYDOCNSA-N 1 2 346.434 3.554 20 0 EHADLO c1nn(-c2ccccc2)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000345361348 1020182811 /nfs/dbraw/zinc/18/28/11/1020182811.db2.gz DSTLMSXNYGFTSM-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc(C)c1F ZINC001143381572 1020182750 /nfs/dbraw/zinc/18/27/50/1020182750.db2.gz GZJITTWUKVILQT-UHFFFAOYSA-N 1 2 341.430 3.792 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)cc1 ZINC001143383718 1020220182 /nfs/dbraw/zinc/22/01/82/1020220182.db2.gz CEJSCRBXRJANPJ-UHFFFAOYSA-N 1 2 340.442 3.709 20 0 EHADLO O=C(c1occc1-c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345448873 1020263479 /nfs/dbraw/zinc/26/34/79/1020263479.db2.gz YDANITGPDMHHEU-KRWDZBQOSA-N 1 2 334.375 3.635 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000345449080 1020263581 /nfs/dbraw/zinc/26/35/81/1020263581.db2.gz OBKUULYRUMVPFG-OAHLLOKOSA-N 1 2 331.504 3.998 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1Br)Cc1ccon1 ZINC000606901905 1032892507 /nfs/dbraw/zinc/89/25/07/1032892507.db2.gz IONIJIUUUGDYCG-UHFFFAOYSA-N 1 2 345.624 3.601 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1Br)Cc1ccon1 ZINC000606901905 1032892524 /nfs/dbraw/zinc/89/25/24/1032892524.db2.gz IONIJIUUUGDYCG-UHFFFAOYSA-N 1 2 345.624 3.601 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000345630519 1020404055 /nfs/dbraw/zinc/40/40/55/1020404055.db2.gz NXVQMKPLQXCMRH-YOEHRIQHSA-N 1 2 325.456 3.906 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1nccs1 ZINC000606912905 1032899952 /nfs/dbraw/zinc/89/99/52/1032899952.db2.gz NYENCHHFQATKTQ-KPZWWZAWSA-N 1 2 332.469 3.890 20 0 EHADLO O=C(/C=C/Sc1cc(F)ccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280537638 1020466076 /nfs/dbraw/zinc/46/60/76/1020466076.db2.gz CRFZFQRGXFAPRC-BIPYJSMBSA-N 1 2 349.406 3.700 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000280540918 1020468790 /nfs/dbraw/zinc/46/87/90/1020468790.db2.gz OJZPGFYWHULCDF-UHFFFAOYSA-N 1 2 347.409 3.602 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C34CCC(CC3)C4)n2)C1 ZINC000345842106 1020549380 /nfs/dbraw/zinc/54/93/80/1020549380.db2.gz VUNNXQCNYFHAHS-WRSVWVKZSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C34CCC(CC3)C4)n2)C1 ZINC000345842106 1020549388 /nfs/dbraw/zinc/54/93/88/1020549388.db2.gz VUNNXQCNYFHAHS-WRSVWVKZSA-N 1 2 333.501 3.894 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(C(F)F)cc1 ZINC000933112478 1020552406 /nfs/dbraw/zinc/55/24/06/1020552406.db2.gz VVOUFNIOWOWKGH-UHFFFAOYSA-N 1 2 346.381 3.941 20 0 EHADLO c1cnc2c(c1)cccc2CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000340895899 1020564596 /nfs/dbraw/zinc/56/45/96/1020564596.db2.gz HUKSZIKAWCKORC-UHFFFAOYSA-N 1 2 333.439 3.670 20 0 EHADLO c1cnc2c(c1)cccc2CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000340895899 1020564602 /nfs/dbraw/zinc/56/46/02/1020564602.db2.gz HUKSZIKAWCKORC-UHFFFAOYSA-N 1 2 333.439 3.670 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ncc(-c2ccccc2)o1 ZINC000606950665 1032917067 /nfs/dbraw/zinc/91/70/67/1032917067.db2.gz LFYILFFCTZQELP-ZDUSSCGKSA-N 1 2 347.378 3.872 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000501001587 1020640286 /nfs/dbraw/zinc/64/02/86/1020640286.db2.gz LTKUMWWLHJSHJB-DNVCBOLYSA-N 1 2 329.415 3.693 20 0 EHADLO CCc1csc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000340988058 1020765974 /nfs/dbraw/zinc/76/59/74/1020765974.db2.gz JRXSWNGDDNBCBD-UHFFFAOYSA-N 1 2 347.488 3.626 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2ccncc2OCCC(C)(C)C)[nH+]1 ZINC000340988402 1020767376 /nfs/dbraw/zinc/76/73/76/1020767376.db2.gz WPWZHUMHTRNIIR-UHFFFAOYSA-N 1 2 339.443 3.510 20 0 EHADLO Fc1ccccc1-c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000581400114 1020799809 /nfs/dbraw/zinc/79/98/09/1020799809.db2.gz XILFCHHUBYJBHX-UHFFFAOYSA-N 1 2 334.354 3.711 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684230152 1020827576 /nfs/dbraw/zinc/82/75/76/1020827576.db2.gz FYSSLJQKNLNRJX-HOCLYGCPSA-N 1 2 338.386 3.931 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)n1C ZINC000341011884 1020848931 /nfs/dbraw/zinc/84/89/31/1020848931.db2.gz NPOPRGNZBJUCDN-UHFFFAOYSA-N 1 2 340.471 3.537 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000341040327 1020896644 /nfs/dbraw/zinc/89/66/44/1020896644.db2.gz STLLEBSNYPDVFV-XYJFISCASA-N 1 2 338.455 3.640 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000341040313 1020897264 /nfs/dbraw/zinc/89/72/64/1020897264.db2.gz STLLEBSNYPDVFV-JFIYKMOQSA-N 1 2 338.455 3.640 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000656559273 1020920262 /nfs/dbraw/zinc/92/02/62/1020920262.db2.gz MUWKAAZEOMPCDX-KRWDZBQOSA-N 1 2 339.395 3.954 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+]Cc3cn4cc(C)ccc4n3)o2)cs1 ZINC000341090702 1020971258 /nfs/dbraw/zinc/97/12/58/1020971258.db2.gz KJSVMXMQRRXNNT-UHFFFAOYSA-N 1 2 338.436 3.957 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276298041 1021001859 /nfs/dbraw/zinc/00/18/59/1021001859.db2.gz VEWVYFYPDQGQPO-CQSZACIVSA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276298041 1021001864 /nfs/dbraw/zinc/00/18/64/1021001864.db2.gz VEWVYFYPDQGQPO-CQSZACIVSA-N 1 2 344.377 3.687 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000276294703 1021004516 /nfs/dbraw/zinc/00/45/16/1021004516.db2.gz MKQASODGNSYOBJ-KGLIPLIRSA-N 1 2 329.448 3.599 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000341155753 1021024154 /nfs/dbraw/zinc/02/41/54/1021024154.db2.gz YEVZYXQZLFBNKM-JFIYKMOQSA-N 1 2 345.487 3.702 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143394790 1021025292 /nfs/dbraw/zinc/02/52/92/1021025292.db2.gz QNKIYGSZXWKRKN-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143394790 1021025296 /nfs/dbraw/zinc/02/52/96/1021025296.db2.gz QNKIYGSZXWKRKN-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CCn1cc(CC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)cn1 ZINC000276341960 1021056536 /nfs/dbraw/zinc/05/65/36/1021056536.db2.gz UDWPWFJKJBGUFQ-RDTXWAMCSA-N 1 2 333.863 3.561 20 0 EHADLO CCn1cc(CC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)cn1 ZINC000276341960 1021056543 /nfs/dbraw/zinc/05/65/43/1021056543.db2.gz UDWPWFJKJBGUFQ-RDTXWAMCSA-N 1 2 333.863 3.561 20 0 EHADLO O=C(c1cc2cccc(Cl)c2s1)N1CC[NH+](C2CCC2)CC1 ZINC000581549703 1021075930 /nfs/dbraw/zinc/07/59/30/1021075930.db2.gz DNONOBHLULRDHN-UHFFFAOYSA-N 1 2 334.872 3.865 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc3ccc(F)cc3o2)c1 ZINC000341206353 1021097015 /nfs/dbraw/zinc/09/70/15/1021097015.db2.gz HZRDWSNMULYFND-NSHDSACASA-N 1 2 327.359 3.776 20 0 EHADLO C[C@H](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000341222893 1021125098 /nfs/dbraw/zinc/12/50/98/1021125098.db2.gz ZXLSFBHQBZGXSP-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO CC1(C)C[C@@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000656675336 1021152502 /nfs/dbraw/zinc/15/25/02/1021152502.db2.gz CREFZHVZDSPNJF-MSOLQXFVSA-N 1 2 349.434 3.983 20 0 EHADLO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000341242346 1021161533 /nfs/dbraw/zinc/16/15/33/1021161533.db2.gz OZAYWFHRSMGDMK-MRXNPFEDSA-N 1 2 343.446 3.845 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000656682123 1021165129 /nfs/dbraw/zinc/16/51/29/1021165129.db2.gz PXUHXXFQNDPETQ-SRVKXCTJSA-N 1 2 337.876 3.713 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)n2)s1 ZINC000426284774 1021168180 /nfs/dbraw/zinc/16/81/80/1021168180.db2.gz APBSPHURLQLNGX-CYBMUJFWSA-N 1 2 333.482 3.745 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)n2)s1 ZINC000426284774 1021168185 /nfs/dbraw/zinc/16/81/85/1021168185.db2.gz APBSPHURLQLNGX-CYBMUJFWSA-N 1 2 333.482 3.745 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(Cc2ccccc2Cl)CC1 ZINC000439169483 1021192686 /nfs/dbraw/zinc/19/26/86/1021192686.db2.gz MWBQLHGZACTBRO-UHFFFAOYSA-N 1 2 325.799 3.949 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2OC(F)F)c1OC ZINC000276406930 1021207293 /nfs/dbraw/zinc/20/72/93/1021207293.db2.gz LMTSVMRDJGBZKX-LLVKDONJSA-N 1 2 338.354 3.551 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867259 1021220608 /nfs/dbraw/zinc/22/06/08/1021220608.db2.gz FMUUUYHQNIEGGA-ZDUSSCGKSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867259 1021220621 /nfs/dbraw/zinc/22/06/21/1021220621.db2.gz FMUUUYHQNIEGGA-ZDUSSCGKSA-N 1 2 337.427 3.605 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ncc(C4CCOCC4)s3)n2c1 ZINC000295972230 1021225897 /nfs/dbraw/zinc/22/58/97/1021225897.db2.gz MSHSYBLMCLHKDL-UHFFFAOYSA-N 1 2 328.441 3.605 20 0 EHADLO CC[N@H+](CC(=O)NC[C@]1(C)CCCS1)Cc1ccccc1Cl ZINC000550285295 1021270253 /nfs/dbraw/zinc/27/02/53/1021270253.db2.gz KBAAIKJVCGAVJC-KRWDZBQOSA-N 1 2 340.920 3.564 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@]1(C)CCCS1)Cc1ccccc1Cl ZINC000550285295 1021270261 /nfs/dbraw/zinc/27/02/61/1021270261.db2.gz KBAAIKJVCGAVJC-KRWDZBQOSA-N 1 2 340.920 3.564 20 0 EHADLO Cc1c[nH+]c(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1C ZINC000341277964 1021274284 /nfs/dbraw/zinc/27/42/84/1021274284.db2.gz IQPYCSQCPYOFPA-SFHVURJKSA-N 1 2 326.831 3.656 20 0 EHADLO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000516310591 1021289422 /nfs/dbraw/zinc/28/94/22/1021289422.db2.gz LAGPQQNHYRZFJI-KURKYZTESA-N 1 2 349.434 3.575 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439286969 1021304171 /nfs/dbraw/zinc/30/41/71/1021304171.db2.gz OXEMVTKPIJKTPJ-APHBMKBZSA-N 1 2 342.277 3.636 20 0 EHADLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439286969 1021304182 /nfs/dbraw/zinc/30/41/82/1021304182.db2.gz OXEMVTKPIJKTPJ-APHBMKBZSA-N 1 2 342.277 3.636 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000593539165 1032969700 /nfs/dbraw/zinc/96/97/00/1032969700.db2.gz GFOUMOSQOIRVFA-WMZOPIPTSA-N 1 2 326.444 3.608 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000507513760 1021321682 /nfs/dbraw/zinc/32/16/82/1021321682.db2.gz ATSFZHMRDPLKSH-QGZVFWFLSA-N 1 2 334.467 3.934 20 0 EHADLO CC(C)NC(=O)[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000664589084 1021339866 /nfs/dbraw/zinc/33/98/66/1021339866.db2.gz VUBFFEWQXDYWHU-LBPRGKRZSA-N 1 2 349.837 3.768 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1C ZINC000296514147 1021375082 /nfs/dbraw/zinc/37/50/82/1021375082.db2.gz POYQILWMLQLWJD-LLVKDONJSA-N 1 2 325.334 3.663 20 0 EHADLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427436155 1021400407 /nfs/dbraw/zinc/40/04/07/1021400407.db2.gz PYDGUHVFDYWDSA-CQSZACIVSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427436155 1021400411 /nfs/dbraw/zinc/40/04/11/1021400411.db2.gz PYDGUHVFDYWDSA-CQSZACIVSA-N 1 2 331.416 3.515 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436942356 1021402939 /nfs/dbraw/zinc/40/29/39/1021402939.db2.gz VIZGCTZYEGJKKD-LBPRGKRZSA-N 1 2 342.842 3.569 20 0 EHADLO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436942356 1021402951 /nfs/dbraw/zinc/40/29/51/1021402951.db2.gz VIZGCTZYEGJKKD-LBPRGKRZSA-N 1 2 342.842 3.569 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000139147461 1032977806 /nfs/dbraw/zinc/97/78/06/1032977806.db2.gz CDPMZWDECQJLKY-GOSISDBHSA-N 1 2 345.826 3.685 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000139147461 1032977823 /nfs/dbraw/zinc/97/78/23/1032977823.db2.gz CDPMZWDECQJLKY-GOSISDBHSA-N 1 2 345.826 3.685 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(SC2CC2)cc1 ZINC000341326536 1021433541 /nfs/dbraw/zinc/43/35/41/1021433541.db2.gz WZDUVPFZPLITIN-UHFFFAOYSA-N 1 2 327.453 3.568 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 ZINC000425689130 1021475866 /nfs/dbraw/zinc/47/58/66/1021475866.db2.gz AXFILYUBRKICBO-CYBMUJFWSA-N 1 2 348.397 3.844 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439481502 1021487640 /nfs/dbraw/zinc/48/76/40/1021487640.db2.gz IOOJFIRDOBDUEH-UHFFFAOYSA-N 1 2 332.419 3.787 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439481502 1021487644 /nfs/dbraw/zinc/48/76/44/1021487644.db2.gz IOOJFIRDOBDUEH-UHFFFAOYSA-N 1 2 332.419 3.787 20 0 EHADLO C[C@]1([NH2+]Cc2ccn(-c3ccccc3F)n2)CCOc2ccccc21 ZINC000933369646 1021489305 /nfs/dbraw/zinc/48/93/05/1021489305.db2.gz ISRJFFQFMRJXIB-FQEVSTJZSA-N 1 2 337.398 3.799 20 0 EHADLO CC(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000839132518 1021502627 /nfs/dbraw/zinc/50/26/27/1021502627.db2.gz BESXOTQJCAGZAF-CQSZACIVSA-N 1 2 325.250 3.596 20 0 EHADLO CC(C)C(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000839132518 1021502636 /nfs/dbraw/zinc/50/26/36/1021502636.db2.gz BESXOTQJCAGZAF-CQSZACIVSA-N 1 2 325.250 3.596 20 0 EHADLO CC(C)[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656710 1032984154 /nfs/dbraw/zinc/98/41/54/1032984154.db2.gz MAEXFPWZIFKRAD-HOTGVXAUSA-N 1 2 330.463 3.590 20 0 EHADLO c1ccc(COc2ccc[nH+]c2NC2CCC3(CC2)OCCO3)cc1 ZINC000760481691 1032984399 /nfs/dbraw/zinc/98/43/99/1032984399.db2.gz DDMCTVLERDMESI-UHFFFAOYSA-N 1 2 340.423 3.758 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@H]2CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000439525591 1021510919 /nfs/dbraw/zinc/51/09/19/1021510919.db2.gz ZBIMDYUWOIZZEW-SOLBZPMBSA-N 1 2 345.487 3.638 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000139534689 1032985095 /nfs/dbraw/zinc/98/50/95/1032985095.db2.gz ZLPYIBODEADRQR-UHFFFAOYSA-N 1 2 336.435 3.737 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000139534689 1032985106 /nfs/dbraw/zinc/98/51/06/1032985106.db2.gz ZLPYIBODEADRQR-UHFFFAOYSA-N 1 2 336.435 3.737 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2nc(CCC)cs2)CC1 ZINC000426417439 1021530186 /nfs/dbraw/zinc/53/01/86/1021530186.db2.gz RMHRTNQROLJYBT-UHFFFAOYSA-N 1 2 337.533 3.757 20 0 EHADLO CN(CCCOCc1ccccc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000341362822 1021533067 /nfs/dbraw/zinc/53/30/67/1021533067.db2.gz DIWYRGHCCACMBL-UHFFFAOYSA-N 1 2 340.471 3.510 20 0 EHADLO CN(CCCOCc1ccccc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000341362822 1021533074 /nfs/dbraw/zinc/53/30/74/1021533074.db2.gz DIWYRGHCCACMBL-UHFFFAOYSA-N 1 2 340.471 3.510 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000449660093 1032989994 /nfs/dbraw/zinc/98/99/94/1032989994.db2.gz DZYBVERRWXGNEU-STQMWFEESA-N 1 2 329.387 3.539 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000138357389 1032990707 /nfs/dbraw/zinc/99/07/07/1032990707.db2.gz PYTSLPKFZGUEJG-LBPRGKRZSA-N 1 2 335.810 3.947 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000138357389 1032990719 /nfs/dbraw/zinc/99/07/19/1032990719.db2.gz PYTSLPKFZGUEJG-LBPRGKRZSA-N 1 2 335.810 3.947 20 0 EHADLO Cc1noc(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 ZINC000328810950 1021599486 /nfs/dbraw/zinc/59/94/86/1021599486.db2.gz DZQOLYKPCBXDQJ-INIZCTEOSA-N 1 2 346.818 3.629 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccnn2C2CCCC2)CCO1 ZINC000519744483 1021654694 /nfs/dbraw/zinc/65/46/94/1021654694.db2.gz ZQYSIWBEPSHXRZ-HXUWFJFHSA-N 1 2 325.456 3.746 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccnn2C2CCCC2)CCO1 ZINC000519744483 1021654699 /nfs/dbraw/zinc/65/46/99/1021654699.db2.gz ZQYSIWBEPSHXRZ-HXUWFJFHSA-N 1 2 325.456 3.746 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ncc(COC)s2)cc1Cl ZINC000341393069 1021672328 /nfs/dbraw/zinc/67/23/28/1021672328.db2.gz VNAXKMJYSIYXFX-UHFFFAOYSA-N 1 2 326.849 3.631 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccc2c(c1)COC2 ZINC000519797351 1021680794 /nfs/dbraw/zinc/68/07/94/1021680794.db2.gz SCZKTAHXCFUGNI-UHFFFAOYSA-N 1 2 333.391 3.597 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)no1)c1cccc(C(F)(F)F)c1 ZINC000925091767 1021684864 /nfs/dbraw/zinc/68/48/64/1021684864.db2.gz AHQOWRWISOWPPI-GXFFZTMASA-N 1 2 344.333 3.740 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000083247822 1021707090 /nfs/dbraw/zinc/70/70/90/1021707090.db2.gz HBWIBKJDTJHZBE-FUHWJXTLSA-N 1 2 343.471 3.858 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000083247822 1021707107 /nfs/dbraw/zinc/70/71/07/1021707107.db2.gz HBWIBKJDTJHZBE-FUHWJXTLSA-N 1 2 343.471 3.858 20 0 EHADLO CCc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccn1C ZINC000289343333 1021716528 /nfs/dbraw/zinc/71/65/28/1021716528.db2.gz GHOFNWXRIPNOAM-CYBMUJFWSA-N 1 2 346.500 3.528 20 0 EHADLO CCc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccn1C ZINC000289343333 1021716543 /nfs/dbraw/zinc/71/65/43/1021716543.db2.gz GHOFNWXRIPNOAM-CYBMUJFWSA-N 1 2 346.500 3.528 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(F)c(C2CC2)c1 ZINC000439801650 1021724939 /nfs/dbraw/zinc/72/49/39/1021724939.db2.gz QGRXAUFFWDJSBH-UHFFFAOYSA-N 1 2 328.391 3.722 20 0 EHADLO OCCC[N@H+](Cc1c(Cl)oc2ccccc21)Cc1ccccn1 ZINC000289512060 1021753817 /nfs/dbraw/zinc/75/38/17/1021753817.db2.gz UTJOOCWSTYAKIB-UHFFFAOYSA-N 1 2 330.815 3.866 20 0 EHADLO OCCC[N@@H+](Cc1c(Cl)oc2ccccc21)Cc1ccccn1 ZINC000289512060 1021753833 /nfs/dbraw/zinc/75/38/33/1021753833.db2.gz UTJOOCWSTYAKIB-UHFFFAOYSA-N 1 2 330.815 3.866 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)(C)C)c(C)c1 ZINC000440799802 1021773914 /nfs/dbraw/zinc/77/39/14/1021773914.db2.gz CZOUYLSSMXUZAY-GOSISDBHSA-N 1 2 342.487 3.977 20 0 EHADLO CC(C)(C)C[C@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440786000 1021777884 /nfs/dbraw/zinc/77/78/84/1021777884.db2.gz RRGKNSAPSWHTRX-ZDUSSCGKSA-N 1 2 341.381 3.503 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000080396210 1021799554 /nfs/dbraw/zinc/79/95/54/1021799554.db2.gz LEAAEUFDMCAFMN-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO CCCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440835998 1021810281 /nfs/dbraw/zinc/81/02/81/1021810281.db2.gz FKYJSCZKHANVFW-SFHVURJKSA-N 1 2 328.460 3.731 20 0 EHADLO O=C(NCc1cc2ccccc2o1)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033626 1021816997 /nfs/dbraw/zinc/81/69/97/1021816997.db2.gz WYFWEOWMVUARBE-UHFFFAOYSA-N 1 2 346.390 3.618 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C2CC2)c(OC)c1 ZINC000891522599 1021824700 /nfs/dbraw/zinc/82/47/00/1021824700.db2.gz OSMQIOAMNIUKAZ-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C2CC2)c(OC)c1 ZINC000891522599 1021824721 /nfs/dbraw/zinc/82/47/21/1021824721.db2.gz OSMQIOAMNIUKAZ-QGZVFWFLSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000891521369 1021829497 /nfs/dbraw/zinc/82/94/97/1021829497.db2.gz RYTCJPZLFYEIOG-UHFFFAOYSA-N 1 2 341.455 3.823 20 0 EHADLO C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000516896742 1021836520 /nfs/dbraw/zinc/83/65/20/1021836520.db2.gz QTFKVFYPOSHJGJ-FQEVSTJZSA-N 1 2 334.423 3.920 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000440895336 1021851433 /nfs/dbraw/zinc/85/14/33/1021851433.db2.gz YIUNVQOOPULKGX-BEFAXECRSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000440895336 1021851439 /nfs/dbraw/zinc/85/14/39/1021851439.db2.gz YIUNVQOOPULKGX-BEFAXECRSA-N 1 2 338.451 3.999 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000520009786 1021856521 /nfs/dbraw/zinc/85/65/21/1021856521.db2.gz PXHLISKKQCKSQE-INIZCTEOSA-N 1 2 340.471 3.549 20 0 EHADLO CSc1ccc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000437483759 1021862519 /nfs/dbraw/zinc/86/25/19/1021862519.db2.gz SBSWVUNPJZJXNO-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441044687 1021940946 /nfs/dbraw/zinc/94/09/46/1021940946.db2.gz AYLNTOUPIRBNDY-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441044687 1021940952 /nfs/dbraw/zinc/94/09/52/1021940952.db2.gz AYLNTOUPIRBNDY-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO Cc1ccccc1[C@@H](C)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000298892255 1021947749 /nfs/dbraw/zinc/94/77/49/1021947749.db2.gz RVEBNYUCUGLRAQ-MRXNPFEDSA-N 1 2 326.444 3.595 20 0 EHADLO CC1(C)C[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)c2ccccc2O1 ZINC000581871118 1021965266 /nfs/dbraw/zinc/96/52/66/1021965266.db2.gz YUHJUQIQEVOKNR-AWEZNQCLSA-N 1 2 325.412 3.503 20 0 EHADLO Cc1cc(NCc2ccc(OCc3ccccn3)cc2)nc(C2CC2)[nH+]1 ZINC000341478146 1022009075 /nfs/dbraw/zinc/00/90/75/1022009075.db2.gz FMAKGXHJCGXRHD-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO Fc1ccccc1-n1ccc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000437623384 1022009201 /nfs/dbraw/zinc/00/92/01/1022009201.db2.gz VIVMRWSYIHVCMR-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO COc1ccc(CN(C)c2cc(C)[nH+]c(C3CC3)n2)cc1OC(F)F ZINC000341491183 1022028131 /nfs/dbraw/zinc/02/81/31/1022028131.db2.gz DHGDHGMZHQJDQB-UHFFFAOYSA-N 1 2 349.381 3.909 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000341507910 1022046489 /nfs/dbraw/zinc/04/64/89/1022046489.db2.gz REAUXINCXQSENV-GFCCVEGCSA-N 1 2 325.334 3.577 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2cccc3ccccc32)no1 ZINC000441237412 1022074141 /nfs/dbraw/zinc/07/41/41/1022074141.db2.gz WHXWLSTZCYZSST-UHFFFAOYSA-N 1 2 325.412 3.689 20 0 EHADLO CCc1cc(N[C@H](c2nccn2C)c2ccccc2F)nc(CC)[nH+]1 ZINC000891614817 1022099452 /nfs/dbraw/zinc/09/94/52/1022099452.db2.gz OLHCZHULAWYWJX-SFHVURJKSA-N 1 2 339.418 3.676 20 0 EHADLO c1ccc([C@H]2CC[C@H](Nc3cccc(CN4CCOCC4)[nH+]3)C2)cc1 ZINC000437772999 1022130651 /nfs/dbraw/zinc/13/06/51/1022130651.db2.gz JHBMVEHNUAWNHZ-OALUTQOASA-N 1 2 337.467 3.662 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143401952 1022155559 /nfs/dbraw/zinc/15/55/59/1022155559.db2.gz AFIXDUUWJWLWDG-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143401952 1022155560 /nfs/dbraw/zinc/15/55/60/1022155560.db2.gz AFIXDUUWJWLWDG-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339092 1022158501 /nfs/dbraw/zinc/15/85/01/1022158501.db2.gz UZDMACKVAXZFRV-ACJLOTCBSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339092 1022158509 /nfs/dbraw/zinc/15/85/09/1022158509.db2.gz UZDMACKVAXZFRV-ACJLOTCBSA-N 1 2 330.378 3.986 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)c(C)c1 ZINC000517242637 1022163613 /nfs/dbraw/zinc/16/36/13/1022163613.db2.gz GCTGVMIYQXRJDB-INIZCTEOSA-N 1 2 334.423 3.973 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)[C@H](C)c3cccc(O)c3)o2)cc1 ZINC000440413806 1022174170 /nfs/dbraw/zinc/17/41/70/1022174170.db2.gz JJRQNFLIQPKPSB-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccc(O)c3)o2)cc1 ZINC000440413806 1022174180 /nfs/dbraw/zinc/17/41/80/1022174180.db2.gz JJRQNFLIQPKPSB-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO CCc1cnc(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)s1 ZINC000441360150 1022177364 /nfs/dbraw/zinc/17/73/64/1022177364.db2.gz XNYKNRGAOAQATI-LBPRGKRZSA-N 1 2 337.439 3.867 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)Cc1cccc(Cl)c1 ZINC000506144617 1022194155 /nfs/dbraw/zinc/19/41/55/1022194155.db2.gz OQRUXVDXERGXLF-UHFFFAOYSA-N 1 2 329.835 3.698 20 0 EHADLO O=C(C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)NCc1ccco1 ZINC000083446830 1022203618 /nfs/dbraw/zinc/20/36/18/1022203618.db2.gz QURZFRSEBBEMGQ-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO O=C(C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)NCc1ccco1 ZINC000083446830 1022203621 /nfs/dbraw/zinc/20/36/21/1022203621.db2.gz QURZFRSEBBEMGQ-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000112430178 1022248308 /nfs/dbraw/zinc/24/83/08/1022248308.db2.gz XNPVYMGOFDAPOZ-WMZOPIPTSA-N 1 2 328.460 3.619 20 0 EHADLO Cc1ccc(CC[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000473909220 1022259569 /nfs/dbraw/zinc/25/95/69/1022259569.db2.gz AUCBVRNIPSWJCF-KRWDZBQOSA-N 1 2 329.465 3.573 20 0 EHADLO Cc1ccc(CC[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000473909220 1022259577 /nfs/dbraw/zinc/25/95/77/1022259577.db2.gz AUCBVRNIPSWJCF-KRWDZBQOSA-N 1 2 329.465 3.573 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000541846431 1022273810 /nfs/dbraw/zinc/27/38/10/1022273810.db2.gz KFVPPFCELKGGAG-RKDXNWHRSA-N 1 2 332.395 3.931 20 0 EHADLO COc1ccc(Cl)c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000142485198 1033043043 /nfs/dbraw/zinc/04/30/43/1033043043.db2.gz CAQDDDXKDVCRGV-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO C[C@H](c1cccc(NC(=O)CC2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000550343833 1022288808 /nfs/dbraw/zinc/28/88/08/1022288808.db2.gz HGTNXWUQFWBQSW-OAHLLOKOSA-N 1 2 330.472 3.845 20 0 EHADLO C[C@@H](CC(=O)NCC(C)(C)CCCc1ccccc1)n1cc[nH+]c1 ZINC000574330360 1033044100 /nfs/dbraw/zinc/04/41/00/1033044100.db2.gz SKQUSESIXRLFJW-KRWDZBQOSA-N 1 2 327.472 4.000 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1=S ZINC000172916316 1033039429 /nfs/dbraw/zinc/03/94/29/1033039429.db2.gz FDRYOHMTRHCXGU-MRXNPFEDSA-N 1 2 330.501 3.691 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1=S ZINC000172916316 1033039439 /nfs/dbraw/zinc/03/94/39/1033039439.db2.gz FDRYOHMTRHCXGU-MRXNPFEDSA-N 1 2 330.501 3.691 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894962812 1022308992 /nfs/dbraw/zinc/30/89/92/1022308992.db2.gz VBSQNECFDNGZJX-KXBFYZLASA-N 1 2 338.430 3.986 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894962812 1022309010 /nfs/dbraw/zinc/30/90/10/1022309010.db2.gz VBSQNECFDNGZJX-KXBFYZLASA-N 1 2 338.430 3.986 20 0 EHADLO COc1c(C)c[nH+]c(CN(Cc2cccc(O)c2)CC2CC2)c1C ZINC000112978930 1022344771 /nfs/dbraw/zinc/34/47/71/1022344771.db2.gz YFNZDTQIPIXZKA-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cccnc2s1 ZINC000341574183 1022357831 /nfs/dbraw/zinc/35/78/31/1022357831.db2.gz GLTBBRAUXRAGNH-MYODQAERSA-N 1 2 345.493 3.622 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cccnc2s1 ZINC000341574183 1022357848 /nfs/dbraw/zinc/35/78/48/1022357848.db2.gz GLTBBRAUXRAGNH-MYODQAERSA-N 1 2 345.493 3.622 20 0 EHADLO Cc1ccc2cc(CNc3ccc(N4CCCCC4)c[nH+]3)ccc2n1 ZINC000438083317 1022381904 /nfs/dbraw/zinc/38/19/04/1022381904.db2.gz XJFDMQVNJBRZFO-UHFFFAOYSA-N 1 2 332.451 3.963 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)Oc3ccccc3C)ccc2[nH+]1 ZINC000438133956 1022412326 /nfs/dbraw/zinc/41/23/26/1022412326.db2.gz FOCRKDWWLGUDNH-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458885968 1022423377 /nfs/dbraw/zinc/42/33/77/1022423377.db2.gz POKTUAPLFHTDGP-CYBMUJFWSA-N 1 2 334.851 3.856 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c(Cl)c1Cl ZINC000517567215 1022461945 /nfs/dbraw/zinc/46/19/45/1022461945.db2.gz CTDPZKGJYITTNN-LLVKDONJSA-N 1 2 341.217 3.609 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c(Cl)c1Cl ZINC000517567215 1022461950 /nfs/dbraw/zinc/46/19/50/1022461950.db2.gz CTDPZKGJYITTNN-LLVKDONJSA-N 1 2 341.217 3.609 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2coc(C3CCCC3)n2)c1C ZINC000328713473 1022473485 /nfs/dbraw/zinc/47/34/85/1022473485.db2.gz RZVSPAJMUAXOFX-UHFFFAOYSA-N 1 2 343.427 3.625 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc(F)c1 ZINC000119449217 1033057607 /nfs/dbraw/zinc/05/76/07/1033057607.db2.gz NMMNLEMLKIKFPX-HZPDHXFCSA-N 1 2 343.446 3.534 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H]1c1ccncc1 ZINC000664828551 1022497071 /nfs/dbraw/zinc/49/70/71/1022497071.db2.gz GQHOOMANASBZKM-LJQANCHMSA-N 1 2 346.434 3.827 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccccc3C(F)(F)F)ccc2[nH+]1 ZINC000517626775 1022499360 /nfs/dbraw/zinc/49/93/60/1022499360.db2.gz LKTVLSKGVSPOOJ-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO COc1nccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c1F ZINC000891744448 1022521644 /nfs/dbraw/zinc/52/16/44/1022521644.db2.gz VCVLSGVBFQWEEY-UHFFFAOYSA-N 1 2 342.414 3.633 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(OCCc3ccccc3)CC2)c1Cl ZINC000891747636 1022532309 /nfs/dbraw/zinc/53/23/09/1022532309.db2.gz JUASRGUYLWOWQM-UHFFFAOYSA-N 1 2 347.890 3.606 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051335171 1022552403 /nfs/dbraw/zinc/55/24/03/1022552403.db2.gz QSQFVLFIBGGPLS-UHFFFAOYSA-N 1 2 341.455 3.747 20 0 EHADLO O=C1CCCN1c1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000438326568 1022567302 /nfs/dbraw/zinc/56/73/02/1022567302.db2.gz VULDJTSHJIIJGD-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO CCCOc1c(C[N@@H+]2CCc3ncsc3C2)cccc1OCC ZINC000438351571 1022572384 /nfs/dbraw/zinc/57/23/84/1022572384.db2.gz FFVXGMDIRGMBHG-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCCOc1c(C[N@H+]2CCc3ncsc3C2)cccc1OCC ZINC000438351571 1022572394 /nfs/dbraw/zinc/57/23/94/1022572394.db2.gz FFVXGMDIRGMBHG-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cccc(Cl)c2)c1C ZINC000051335633 1022576752 /nfs/dbraw/zinc/57/67/52/1022576752.db2.gz CQZAAGRYARPPFJ-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000476229920 1033068364 /nfs/dbraw/zinc/06/83/64/1033068364.db2.gz SVTYGXDOQGFDQY-YJBOKZPZSA-N 1 2 332.463 3.857 20 0 EHADLO CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC000153924200 1033069353 /nfs/dbraw/zinc/06/93/53/1033069353.db2.gz ZELVYPXLHHCDPK-MSOLQXFVSA-N 1 2 338.455 3.601 20 0 EHADLO Fc1ccccc1-c1nc(C[NH2+]CCSCc2ccccc2)no1 ZINC000430755969 1022658263 /nfs/dbraw/zinc/65/82/63/1022658263.db2.gz KGAIYMFPQCFVIU-UHFFFAOYSA-N 1 2 343.427 3.899 20 0 EHADLO CCCCCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007072 1022684867 /nfs/dbraw/zinc/68/48/67/1022684867.db2.gz IDRDVQDRDIWMRS-RDJZCZTQSA-N 1 2 329.444 3.764 20 0 EHADLO CCCCCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007072 1022684876 /nfs/dbraw/zinc/68/48/76/1022684876.db2.gz IDRDVQDRDIWMRS-RDJZCZTQSA-N 1 2 329.444 3.764 20 0 EHADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)cn1 ZINC000438477763 1022715523 /nfs/dbraw/zinc/71/55/23/1022715523.db2.gz MIORLXLBJQBFEV-OAHLLOKOSA-N 1 2 348.244 3.503 20 0 EHADLO Cc1cnc(C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)cn1 ZINC000438477763 1022715528 /nfs/dbraw/zinc/71/55/28/1022715528.db2.gz MIORLXLBJQBFEV-OAHLLOKOSA-N 1 2 348.244 3.503 20 0 EHADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000506264877 1022759967 /nfs/dbraw/zinc/75/99/67/1022759967.db2.gz SJZSFLKKXHKHAS-SFHVURJKSA-N 1 2 339.483 3.608 20 0 EHADLO CC(C)C[C@H]1COCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000506264877 1022759970 /nfs/dbraw/zinc/75/99/70/1022759970.db2.gz SJZSFLKKXHKHAS-SFHVURJKSA-N 1 2 339.483 3.608 20 0 EHADLO FC(F)(F)c1ccnc([C@@H]2CC[N@H+](CC=C(Cl)Cl)C2)n1 ZINC000933712906 1022795143 /nfs/dbraw/zinc/79/51/43/1022795143.db2.gz BFPGFWCYXVAUBM-MRVPVSSYSA-N 1 2 326.149 3.604 20 0 EHADLO FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](CC=C(Cl)Cl)C2)n1 ZINC000933712906 1022795153 /nfs/dbraw/zinc/79/51/53/1022795153.db2.gz BFPGFWCYXVAUBM-MRVPVSSYSA-N 1 2 326.149 3.604 20 0 EHADLO O=C(c1cncc2ccccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341652402 1022822710 /nfs/dbraw/zinc/82/27/10/1022822710.db2.gz YAPYQCVXZVXURA-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO CCc1nc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)co1 ZINC000894746530 1022828142 /nfs/dbraw/zinc/82/81/42/1022828142.db2.gz ZSGZBYOWHDJGMM-UHFFFAOYSA-N 1 2 337.445 3.935 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131200329 1022850267 /nfs/dbraw/zinc/85/02/67/1022850267.db2.gz ZMONTYAKKBYZIS-GOSISDBHSA-N 1 2 339.439 3.892 20 0 EHADLO Cc1noc(C)c1CC[NH+]1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000550251583 1022860567 /nfs/dbraw/zinc/86/05/67/1022860567.db2.gz ZZRSSFJXMSIKEV-UHFFFAOYSA-N 1 2 341.499 3.775 20 0 EHADLO C/C(=C/c1ccncc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125547669 1022877039 /nfs/dbraw/zinc/87/70/39/1022877039.db2.gz MFILVLBKGCTRNN-RAXLEYEMSA-N 1 2 338.798 3.963 20 0 EHADLO COc1cccnc1C[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894778070 1022894829 /nfs/dbraw/zinc/89/48/29/1022894829.db2.gz LHTKHRNPTUHVPD-UHFFFAOYSA-N 1 2 349.456 3.789 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)cc1OC ZINC000341663249 1022916961 /nfs/dbraw/zinc/91/69/61/1022916961.db2.gz WYVOQKWXHYOISE-OLZOCXBDSA-N 1 2 333.432 3.841 20 0 EHADLO Cc1ccccc1[C@@H](C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933767918 1022958326 /nfs/dbraw/zinc/95/83/26/1022958326.db2.gz OFSKNGGTIWQQKH-XLIONFOSSA-N 1 2 347.462 3.932 20 0 EHADLO CC(=O)Nc1nc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cs1 ZINC000438737587 1022962503 /nfs/dbraw/zinc/96/25/03/1022962503.db2.gz XZHUFCFHDDOQAO-QGZVFWFLSA-N 1 2 327.453 3.753 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cs1 ZINC000438737587 1022962517 /nfs/dbraw/zinc/96/25/17/1022962517.db2.gz XZHUFCFHDDOQAO-QGZVFWFLSA-N 1 2 327.453 3.753 20 0 EHADLO Brc1cc2c(c(C[NH2+]Cc3cnc(C4CC4)o3)c1)OCC2 ZINC000449705108 1033096826 /nfs/dbraw/zinc/09/68/26/1033096826.db2.gz JDNAIZNJKUNDBF-UHFFFAOYSA-N 1 2 349.228 3.539 20 0 EHADLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000112352504 1022970995 /nfs/dbraw/zinc/97/09/95/1022970995.db2.gz IKVYWRTWABKFKU-AWEZNQCLSA-N 1 2 338.879 3.642 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000506891344 1022993989 /nfs/dbraw/zinc/99/39/89/1022993989.db2.gz FAJMVTYZHILCGS-LJQANCHMSA-N 1 2 345.414 3.613 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000506891344 1022993993 /nfs/dbraw/zinc/99/39/93/1022993993.db2.gz FAJMVTYZHILCGS-LJQANCHMSA-N 1 2 345.414 3.613 20 0 EHADLO CC(F)(F)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000346015598 1023004517 /nfs/dbraw/zinc/00/45/17/1023004517.db2.gz OGWACGJJEHBUQO-ZDUSSCGKSA-N 1 2 348.796 3.605 20 0 EHADLO CC(F)(F)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000346015598 1023004529 /nfs/dbraw/zinc/00/45/29/1023004529.db2.gz OGWACGJJEHBUQO-ZDUSSCGKSA-N 1 2 348.796 3.605 20 0 EHADLO Cc1cc(NC2CCN(C(=O)C(C)(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891840235 1023017597 /nfs/dbraw/zinc/01/75/97/1023017597.db2.gz QMQVHGMZVGYWGH-UHFFFAOYSA-N 1 2 330.476 3.502 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CCO1 ZINC000506372590 1023024947 /nfs/dbraw/zinc/02/49/47/1023024947.db2.gz WSEXONVSQRYWEV-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CCO1 ZINC000506372590 1023024959 /nfs/dbraw/zinc/02/49/59/1023024959.db2.gz WSEXONVSQRYWEV-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536367400 1023069008 /nfs/dbraw/zinc/06/90/08/1023069008.db2.gz AZWDOEVUVQOMDG-IBGZPJMESA-N 1 2 328.481 3.620 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536367400 1023069021 /nfs/dbraw/zinc/06/90/21/1023069021.db2.gz AZWDOEVUVQOMDG-IBGZPJMESA-N 1 2 328.481 3.620 20 0 EHADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556514 1023095304 /nfs/dbraw/zinc/09/53/04/1023095304.db2.gz BKAPWLNELDKOEU-KGLIPLIRSA-N 1 2 347.846 3.545 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@H]1C ZINC000431005316 1023098479 /nfs/dbraw/zinc/09/84/79/1023098479.db2.gz KOTJCSCZKZKLFB-DISONHOPSA-N 1 2 332.492 3.548 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(Br)c1 ZINC001140486425 1023152705 /nfs/dbraw/zinc/15/27/05/1023152705.db2.gz NQESRUKUNPWHEO-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(Br)c1 ZINC001140486425 1023152710 /nfs/dbraw/zinc/15/27/10/1023152710.db2.gz NQESRUKUNPWHEO-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000438946782 1023164131 /nfs/dbraw/zinc/16/41/31/1023164131.db2.gz KSXORQJFHWATSG-TZIWHRDSSA-N 1 2 329.403 3.715 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933282 1033111552 /nfs/dbraw/zinc/11/15/52/1033111552.db2.gz PFGJWWXFWULXHL-FXHACXQTSA-N 1 2 348.393 3.613 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000528933282 1033111567 /nfs/dbraw/zinc/11/15/67/1033111567.db2.gz PFGJWWXFWULXHL-FXHACXQTSA-N 1 2 348.393 3.613 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507212463 1023190663 /nfs/dbraw/zinc/19/06/63/1023190663.db2.gz AXKUGTAPYSBWMD-CJNGLKHVSA-N 1 2 329.444 3.674 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507212463 1023190673 /nfs/dbraw/zinc/19/06/73/1023190673.db2.gz AXKUGTAPYSBWMD-CJNGLKHVSA-N 1 2 329.444 3.674 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C(F)(F)F)c(C)c1 ZINC000441486744 1023194827 /nfs/dbraw/zinc/19/48/27/1023194827.db2.gz BVLJGHGGFKUGRO-DZGCQCFKSA-N 1 2 339.361 3.556 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)[nH]1 ZINC000276842243 1023196794 /nfs/dbraw/zinc/19/67/94/1023196794.db2.gz CEXHUXFRZXICDW-RWMBFGLXSA-N 1 2 332.448 3.747 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1F ZINC000610681940 1023199216 /nfs/dbraw/zinc/19/92/16/1023199216.db2.gz QZXJXFIACVABSU-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1F ZINC000610681940 1023199219 /nfs/dbraw/zinc/19/92/19/1023199219.db2.gz QZXJXFIACVABSU-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000343287531 1023200293 /nfs/dbraw/zinc/20/02/93/1023200293.db2.gz BBBFHOBQVPFMMX-RHSMWYFYSA-N 1 2 331.847 3.612 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143412282 1023209657 /nfs/dbraw/zinc/20/96/57/1023209657.db2.gz OSBXIDHCKQDMRG-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143412282 1023209662 /nfs/dbraw/zinc/20/96/62/1023209662.db2.gz OSBXIDHCKQDMRG-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C)o1 ZINC000438998399 1023209711 /nfs/dbraw/zinc/20/97/11/1023209711.db2.gz IUUFADDXUVYXSM-SUMWQHHRSA-N 1 2 346.427 3.593 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507265248 1023219730 /nfs/dbraw/zinc/21/97/30/1023219730.db2.gz UTDVYMAGKNLVSX-FQEVSTJZSA-N 1 2 346.515 3.661 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507265248 1023219742 /nfs/dbraw/zinc/21/97/42/1023219742.db2.gz UTDVYMAGKNLVSX-FQEVSTJZSA-N 1 2 346.515 3.661 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC(C)(C)C1 ZINC000469428737 1023234240 /nfs/dbraw/zinc/23/42/40/1023234240.db2.gz UXQBWRNUHVPBQE-RYRKJORJSA-N 1 2 330.472 3.914 20 0 EHADLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000476298095 1033115973 /nfs/dbraw/zinc/11/59/73/1033115973.db2.gz SUEUCRWTGFERPH-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000476298095 1033115981 /nfs/dbraw/zinc/11/59/81/1033115981.db2.gz SUEUCRWTGFERPH-UHFFFAOYSA-N 1 2 340.398 3.562 20 0 EHADLO CC[N@H+](Cc1cc(OC)ccc1F)Cc1ccc(OC)cc1OC ZINC000507331654 1023251794 /nfs/dbraw/zinc/25/17/94/1023251794.db2.gz VJVDICUGXDNGJX-UHFFFAOYSA-N 1 2 333.403 3.874 20 0 EHADLO CC[N@@H+](Cc1cc(OC)ccc1F)Cc1ccc(OC)cc1OC ZINC000507331654 1023251807 /nfs/dbraw/zinc/25/18/07/1023251807.db2.gz VJVDICUGXDNGJX-UHFFFAOYSA-N 1 2 333.403 3.874 20 0 EHADLO COc1ccc(-c2nc(C[NH+]3CC(C)(C)OC(C)(C)C3)co2)cc1 ZINC000190521819 1023251886 /nfs/dbraw/zinc/25/18/86/1023251886.db2.gz PELDZXJFZZQFPQ-UHFFFAOYSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(Cl)o2)c(C)c1 ZINC000441498482 1023283773 /nfs/dbraw/zinc/28/37/73/1023283773.db2.gz LXFLUMLJNBIUMG-HNNXBMFYSA-N 1 2 343.814 3.918 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCC2CCC2)c(C)c1 ZINC000441499296 1023295144 /nfs/dbraw/zinc/29/51/44/1023295144.db2.gz NYPDQFNEAVJROG-IBGZPJMESA-N 1 2 325.456 3.938 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000891906071 1023374592 /nfs/dbraw/zinc/37/45/92/1023374592.db2.gz DBTMIEYRMLIOHG-UHFFFAOYSA-N 1 2 326.469 3.610 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1nccc2c1CCCC2 ZINC000891906071 1023374598 /nfs/dbraw/zinc/37/45/98/1023374598.db2.gz DBTMIEYRMLIOHG-UHFFFAOYSA-N 1 2 326.469 3.610 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568289 1033127365 /nfs/dbraw/zinc/12/73/65/1033127365.db2.gz VYORPNQTNALUSO-MCFWBGNESA-N 1 2 346.427 3.897 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568289 1033127376 /nfs/dbraw/zinc/12/73/76/1033127376.db2.gz VYORPNQTNALUSO-MCFWBGNESA-N 1 2 346.427 3.897 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341862583 1023481949 /nfs/dbraw/zinc/48/19/49/1023481949.db2.gz BBMYTLWPYPCDCS-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000054546759 1033143900 /nfs/dbraw/zinc/14/39/00/1033143900.db2.gz ZTYUGEBYFLCSQE-QGZVFWFLSA-N 1 2 346.475 3.861 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(=S)n1C1CC1 ZINC000054546759 1033143914 /nfs/dbraw/zinc/14/39/14/1033143914.db2.gz ZTYUGEBYFLCSQE-QGZVFWFLSA-N 1 2 346.475 3.861 20 0 EHADLO CC(C)COc1cc(NCc2c[nH+]cn2C)ccc1Br ZINC000897753835 1033151246 /nfs/dbraw/zinc/15/12/46/1033151246.db2.gz XAUCBMYAZJIBNQ-UHFFFAOYSA-N 1 2 338.249 3.830 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000341915694 1023674523 /nfs/dbraw/zinc/67/45/23/1023674523.db2.gz XBORDBZZKALVIT-ADYPVZHUSA-N 1 2 341.476 3.768 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000341915694 1023674528 /nfs/dbraw/zinc/67/45/28/1023674528.db2.gz XBORDBZZKALVIT-ADYPVZHUSA-N 1 2 341.476 3.768 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)nc1 ZINC000341916259 1023674688 /nfs/dbraw/zinc/67/46/88/1023674688.db2.gz VUOWBXQBEYOABP-KRWDZBQOSA-N 1 2 336.357 3.544 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)nc1 ZINC000341916259 1023674694 /nfs/dbraw/zinc/67/46/94/1023674694.db2.gz VUOWBXQBEYOABP-KRWDZBQOSA-N 1 2 336.357 3.544 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)c(F)c1 ZINC000342050671 1023803227 /nfs/dbraw/zinc/80/32/27/1023803227.db2.gz WSNKMUDXAJWGRY-UHFFFAOYSA-N 1 2 346.406 3.903 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342059190 1023810675 /nfs/dbraw/zinc/81/06/75/1023810675.db2.gz IBNRIIVGBAQWCP-OAHLLOKOSA-N 1 2 335.411 3.816 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC000574471248 1033164585 /nfs/dbraw/zinc/16/45/85/1033164585.db2.gz BBJPSKIBZQSLSQ-UHFFFAOYSA-N 1 2 328.334 3.810 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC000574471248 1033164597 /nfs/dbraw/zinc/16/45/97/1033164597.db2.gz BBJPSKIBZQSLSQ-UHFFFAOYSA-N 1 2 328.334 3.810 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1C ZINC000610928490 1023877508 /nfs/dbraw/zinc/87/75/08/1023877508.db2.gz AQPGJLBTTFSUQT-GOSISDBHSA-N 1 2 336.391 3.649 20 0 EHADLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000342095594 1023924091 /nfs/dbraw/zinc/92/40/91/1023924091.db2.gz CVZJCCJQZIYKIX-MRXNPFEDSA-N 1 2 325.437 3.874 20 0 EHADLO CSc1cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)nc(SC)n1 ZINC000895197526 1023957839 /nfs/dbraw/zinc/95/78/39/1023957839.db2.gz UFTFWUZWLXTAGK-LLVKDONJSA-N 1 2 335.502 3.602 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468109 1033176228 /nfs/dbraw/zinc/17/62/28/1033176228.db2.gz LXIVBYCKACMHLQ-QGZVFWFLSA-N 1 2 344.459 3.907 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000190777043 1023969152 /nfs/dbraw/zinc/96/91/52/1023969152.db2.gz VLJUWEZVBXCLPY-HZPDHXFCSA-N 1 2 347.503 3.854 20 0 EHADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccc(OC)c(OC)c1 ZINC000343298762 1023989153 /nfs/dbraw/zinc/98/91/53/1023989153.db2.gz ZUXNTYIIJWDEHO-AWEZNQCLSA-N 1 2 326.400 3.847 20 0 EHADLO c1cn(-c2ccccc2CNc2ccnc(Cc3ccccc3)n2)c[nH+]1 ZINC000167431273 1024028784 /nfs/dbraw/zinc/02/87/84/1024028784.db2.gz MNBKGAMVUSRAKZ-UHFFFAOYSA-N 1 2 341.418 3.865 20 0 EHADLO O=C(CCCC(F)(F)F)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988946 1024031942 /nfs/dbraw/zinc/03/19/42/1024031942.db2.gz FUNADHCVIQCRTM-CYBMUJFWSA-N 1 2 334.769 3.546 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999604 1024041118 /nfs/dbraw/zinc/04/11/18/1024041118.db2.gz OBFJSQXOMGQWLQ-LBPRGKRZSA-N 1 2 341.263 3.842 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCn1cc[nH+]c1 ZINC000520525152 1024045696 /nfs/dbraw/zinc/04/56/96/1024045696.db2.gz ZKBHSIDZHAIAEL-ZHALLVOQSA-N 1 2 340.471 3.639 20 0 EHADLO CC[C@@]([NH2+]C[C@H]1CCCC(F)(F)C1)(C(=O)OC)c1ccccc1 ZINC000514074047 1024091522 /nfs/dbraw/zinc/09/15/22/1024091522.db2.gz HNJLGVPBCGYGSD-KSSFIOAISA-N 1 2 325.399 3.880 20 0 EHADLO CC1(C)CCC[N@@H+]1Cc1c(Br)cncc1Br ZINC001137538048 1024118382 /nfs/dbraw/zinc/11/83/82/1024118382.db2.gz HKVBIQCVZOKPLD-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO CC1(C)CCC[N@H+]1Cc1c(Br)cncc1Br ZINC001137538048 1024118391 /nfs/dbraw/zinc/11/83/91/1024118391.db2.gz HKVBIQCVZOKPLD-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000522264900 1024123313 /nfs/dbraw/zinc/12/33/13/1024123313.db2.gz QZSALUYRPBDYHQ-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1cccn2cc(CC(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)[nH+]c12 ZINC000607578269 1033187661 /nfs/dbraw/zinc/18/76/61/1033187661.db2.gz FVPIBHQUUIHGTM-HLIPFELVSA-N 1 2 347.462 3.978 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000665349949 1024132434 /nfs/dbraw/zinc/13/24/34/1024132434.db2.gz APOJIVIOLMDWAI-UHFFFAOYSA-N 1 2 342.830 3.873 20 0 EHADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000665349949 1024132444 /nfs/dbraw/zinc/13/24/44/1024132444.db2.gz APOJIVIOLMDWAI-UHFFFAOYSA-N 1 2 342.830 3.873 20 0 EHADLO CCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1CC ZINC000182732368 1024133970 /nfs/dbraw/zinc/13/39/70/1024133970.db2.gz DNVMDCHIFRLLQF-UHFFFAOYSA-N 1 2 326.444 3.877 20 0 EHADLO Cc1cccc(C)c1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443555062 1024144479 /nfs/dbraw/zinc/14/44/79/1024144479.db2.gz BCXOOTHSMXHMDA-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1cccc(C)c1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443555062 1024144487 /nfs/dbraw/zinc/14/44/87/1024144487.db2.gz BCXOOTHSMXHMDA-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)C(C)(C)C)cn2c1 ZINC000522284568 1024150697 /nfs/dbraw/zinc/15/06/97/1024150697.db2.gz OVUOTNHBSBHRIM-AWEZNQCLSA-N 1 2 333.501 3.769 20 0 EHADLO Cc1cc(Cl)c(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000443940561 1024154407 /nfs/dbraw/zinc/15/44/07/1024154407.db2.gz FNMOTXIBPTZMBK-UHFFFAOYSA-N 1 2 339.226 3.930 20 0 EHADLO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000548518520 1024209910 /nfs/dbraw/zinc/20/99/10/1024209910.db2.gz YCJWOHIGCCQRFL-APWZRJJASA-N 1 2 348.450 3.662 20 0 EHADLO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000017743793 1024231091 /nfs/dbraw/zinc/23/10/91/1024231091.db2.gz GGCDASLHCNXVSF-UHFFFAOYSA-N 1 2 335.860 3.751 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C1CCC1)C1CCC1 ZINC000350126116 1024253643 /nfs/dbraw/zinc/25/36/43/1024253643.db2.gz IIHLFXKPOCCDHJ-UHFFFAOYSA-N 1 2 341.430 3.844 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)cc1 ZINC000329952267 1024262482 /nfs/dbraw/zinc/26/24/82/1024262482.db2.gz MTSMQPZCMSRGAC-GRDNDAEWSA-N 1 2 327.428 3.605 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)cc1 ZINC000329952267 1024262493 /nfs/dbraw/zinc/26/24/93/1024262493.db2.gz MTSMQPZCMSRGAC-GRDNDAEWSA-N 1 2 327.428 3.605 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)cn21 ZINC000443639545 1024289059 /nfs/dbraw/zinc/28/90/59/1024289059.db2.gz KYNTYIMJQPWMMW-INIZCTEOSA-N 1 2 341.842 3.949 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)cn21 ZINC000443639545 1024289071 /nfs/dbraw/zinc/28/90/71/1024289071.db2.gz KYNTYIMJQPWMMW-INIZCTEOSA-N 1 2 341.842 3.949 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)Nc1ccccc1 ZINC000443641791 1024301525 /nfs/dbraw/zinc/30/15/25/1024301525.db2.gz QNRZCNVKCWEPOD-MRXNPFEDSA-N 1 2 344.842 3.822 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)Nc1ccccc1 ZINC000443641791 1024301542 /nfs/dbraw/zinc/30/15/42/1024301542.db2.gz QNRZCNVKCWEPOD-MRXNPFEDSA-N 1 2 344.842 3.822 20 0 EHADLO CC1(C)C[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684654506 1024303805 /nfs/dbraw/zinc/30/38/05/1024303805.db2.gz FIADVEUVLLKHBD-MRXNPFEDSA-N 1 2 346.862 3.547 20 0 EHADLO O=C(Cc1cccc2ccccc21)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505475380 1024309727 /nfs/dbraw/zinc/30/97/27/1024309727.db2.gz BCVPEQAWCAFNSH-NRFANRHFSA-N 1 2 348.421 3.695 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425148551 1024312105 /nfs/dbraw/zinc/31/21/05/1024312105.db2.gz UIUXIDSYPIVUNB-NJAFHUGGSA-N 1 2 325.456 3.969 20 0 EHADLO c1ccc(-c2cc(N3CCC(Nc4cccc[nH+]4)CC3)ncn2)cc1 ZINC000895346250 1024343840 /nfs/dbraw/zinc/34/38/40/1024343840.db2.gz FACHLDPEWJDLQI-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO COc1cc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc2c1OCO2 ZINC000101597126 1024346033 /nfs/dbraw/zinc/34/60/33/1024346033.db2.gz OIAMDEBEPGXXSD-HNNXBMFYSA-N 1 2 347.411 3.520 20 0 EHADLO CC(C)(CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505498906 1024380339 /nfs/dbraw/zinc/38/03/39/1024380339.db2.gz OWSZHDRJDJTOII-LJQANCHMSA-N 1 2 340.442 3.667 20 0 EHADLO CCN(C)C(=O)c1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000342201845 1024387630 /nfs/dbraw/zinc/38/76/30/1024387630.db2.gz GNOYHUKWHJYABY-UHFFFAOYSA-N 1 2 340.452 3.638 20 0 EHADLO CCc1cc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)nc(CC)[nH+]1 ZINC000892033448 1024417984 /nfs/dbraw/zinc/41/79/84/1024417984.db2.gz RXIRANWTGPPBOM-CYBMUJFWSA-N 1 2 340.427 3.731 20 0 EHADLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C3CCCCC3)cc2)CCO1 ZINC000505516979 1024427900 /nfs/dbraw/zinc/42/79/00/1024427900.db2.gz QXRMFACKELIACK-UHFFFAOYSA-N 1 2 344.499 3.575 20 0 EHADLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C3CCCCC3)cc2)CCO1 ZINC000505516979 1024427909 /nfs/dbraw/zinc/42/79/09/1024427909.db2.gz QXRMFACKELIACK-UHFFFAOYSA-N 1 2 344.499 3.575 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184480460 1024430801 /nfs/dbraw/zinc/43/08/01/1024430801.db2.gz VATZVFVQMDOQEE-IHRRRGAJSA-N 1 2 337.533 3.786 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(OC)cc1 ZINC000434793886 1024431371 /nfs/dbraw/zinc/43/13/71/1024431371.db2.gz CEFWHJOWGZTFBX-OALUTQOASA-N 1 2 325.408 3.574 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(OC)cc1 ZINC000434793886 1024431375 /nfs/dbraw/zinc/43/13/75/1024431375.db2.gz CEFWHJOWGZTFBX-OALUTQOASA-N 1 2 325.408 3.574 20 0 EHADLO COc1ccc2ccc(NC3CCN(C(=O)CC(C)C)CC3)[nH+]c2c1 ZINC000892036803 1024434948 /nfs/dbraw/zinc/43/49/48/1024434948.db2.gz QROAVAREMRBEMC-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO Cc1cc(CNc2ccc([S@](C)=O)c(F)c2)c2c([nH+]1)CCCC2 ZINC000892390568 1033213263 /nfs/dbraw/zinc/21/32/63/1033213263.db2.gz ZLRZYEGMSPOJOE-QHCPKHFHSA-N 1 2 332.444 3.757 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504898 1024459723 /nfs/dbraw/zinc/45/97/23/1024459723.db2.gz PLHUJFIMHZBFEN-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504898 1024459731 /nfs/dbraw/zinc/45/97/31/1024459731.db2.gz PLHUJFIMHZBFEN-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO CC(C)CSCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425225253 1024468797 /nfs/dbraw/zinc/46/87/97/1024468797.db2.gz LZQBLDXCHZMESW-KRWDZBQOSA-N 1 2 345.512 3.827 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473725 1024473742 /nfs/dbraw/zinc/47/37/42/1024473742.db2.gz NBECRBIDOBUBCK-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473725 1024473745 /nfs/dbraw/zinc/47/37/45/1024473745.db2.gz NBECRBIDOBUBCK-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000505559345 1024482052 /nfs/dbraw/zinc/48/20/52/1024482052.db2.gz JSJSFAOFDCTMDQ-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000505559345 1024482064 /nfs/dbraw/zinc/48/20/64/1024482064.db2.gz JSJSFAOFDCTMDQ-UHFFFAOYSA-N 1 2 344.484 3.863 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCC1CCC(S(C)(=O)=O)CC1 ZINC000895417737 1024488099 /nfs/dbraw/zinc/48/80/99/1024488099.db2.gz FLSNSLNMMZXENS-UHFFFAOYSA-N 1 2 332.469 3.559 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1CCOc2ccccc2[C@H]1C ZINC000684679374 1024535705 /nfs/dbraw/zinc/53/57/05/1024535705.db2.gz MZMFRGTXJOAALS-MRXNPFEDSA-N 1 2 349.434 3.837 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000684679374 1024535718 /nfs/dbraw/zinc/53/57/18/1024535718.db2.gz MZMFRGTXJOAALS-MRXNPFEDSA-N 1 2 349.434 3.837 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2CCC(C)CC2)c1)[NH+]1CCOCC1 ZINC000342243830 1024542472 /nfs/dbraw/zinc/54/24/72/1024542472.db2.gz OTFKCZOFWJGDSN-UPTPFMHGSA-N 1 2 345.487 3.780 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CCCC1 ZINC000434987497 1024544125 /nfs/dbraw/zinc/54/41/25/1024544125.db2.gz NOXRDSQUFPYQER-UHFFFAOYSA-N 1 2 346.402 3.788 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CCCC1 ZINC000434987497 1024544138 /nfs/dbraw/zinc/54/41/38/1024544138.db2.gz NOXRDSQUFPYQER-UHFFFAOYSA-N 1 2 346.402 3.788 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000346240293 1024554935 /nfs/dbraw/zinc/55/49/35/1024554935.db2.gz LWDDOAFEYOWJEC-RQJABVFESA-N 1 2 349.887 3.811 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048800 1033220302 /nfs/dbraw/zinc/22/03/02/1033220302.db2.gz OLUJXQBSNNLUHT-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048800 1033220315 /nfs/dbraw/zinc/22/03/15/1033220315.db2.gz OLUJXQBSNNLUHT-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000665197608 1024615344 /nfs/dbraw/zinc/61/53/44/1024615344.db2.gz PHMWHFQXAVXUIJ-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000665197608 1024615353 /nfs/dbraw/zinc/61/53/53/1024615353.db2.gz PHMWHFQXAVXUIJ-YOEHRIQHSA-N 1 2 327.428 3.547 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC000346308336 1024633161 /nfs/dbraw/zinc/63/31/61/1024633161.db2.gz RBMMPBSFVAZCRQ-SFHVURJKSA-N 1 2 325.412 3.829 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000346312103 1024638549 /nfs/dbraw/zinc/63/85/49/1024638549.db2.gz RTQLIXWXCHEKCE-UHFFFAOYSA-N 1 2 342.786 3.740 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c[nH+]1 ZINC000895601674 1024646573 /nfs/dbraw/zinc/64/65/73/1024646573.db2.gz UEDLSTIWKRZZNP-UHFFFAOYSA-N 1 2 339.443 3.739 20 0 EHADLO O=C(c1cc(Nc2ccn3cc[nH+]c3c2)ccc1F)N1CCCCC1 ZINC001211873831 1024647060 /nfs/dbraw/zinc/64/70/60/1024647060.db2.gz IPOVLQIDWGSBCD-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccccc2)cc1 ZINC000657292794 1024650167 /nfs/dbraw/zinc/65/01/67/1024650167.db2.gz TXTIVUMPQNVYRF-NRFANRHFSA-N 1 2 348.450 3.891 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)C[C@]1(C)O ZINC001143430020 1024658315 /nfs/dbraw/zinc/65/83/15/1024658315.db2.gz YLTRWPZCVMGTEI-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)C[C@]1(C)O ZINC001143430020 1024658320 /nfs/dbraw/zinc/65/83/20/1024658320.db2.gz YLTRWPZCVMGTEI-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO c1cc2cccc(-c3noc([C@@H]4CCC[C@H](c5ccccc5)[NH2+]4)n3)n2n1 ZINC001211884794 1024658330 /nfs/dbraw/zinc/65/83/30/1024658330.db2.gz HWNRFBWKJROJRL-SJORKVTESA-N 1 2 345.406 3.940 20 0 EHADLO c1coc(-c2nc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)cs2)c1 ZINC000281149483 1024678533 /nfs/dbraw/zinc/67/85/33/1024678533.db2.gz ZRTONYDBGYQMJO-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO c1coc(-c2nc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)cs2)c1 ZINC000281149483 1024678541 /nfs/dbraw/zinc/67/85/41/1024678541.db2.gz ZRTONYDBGYQMJO-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@@H](C(C)C)C3)s2)cc1 ZINC000505628456 1024698006 /nfs/dbraw/zinc/69/80/06/1024698006.db2.gz BNBUEJJZBTTYPE-CQSZACIVSA-N 1 2 344.484 3.577 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@@H](C(C)C)C3)s2)cc1 ZINC000505628456 1024698013 /nfs/dbraw/zinc/69/80/13/1024698013.db2.gz BNBUEJJZBTTYPE-CQSZACIVSA-N 1 2 344.484 3.577 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@H](C(C)C)C3)s2)cc1 ZINC000505628455 1024698114 /nfs/dbraw/zinc/69/81/14/1024698114.db2.gz BNBUEJJZBTTYPE-AWEZNQCLSA-N 1 2 344.484 3.577 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@H](C(C)C)C3)s2)cc1 ZINC000505628455 1024698119 /nfs/dbraw/zinc/69/81/19/1024698119.db2.gz BNBUEJJZBTTYPE-AWEZNQCLSA-N 1 2 344.484 3.577 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000346417430 1024702977 /nfs/dbraw/zinc/70/29/77/1024702977.db2.gz OIYCISUQEOHMBI-LBPRGKRZSA-N 1 2 332.831 3.804 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000346417430 1024702993 /nfs/dbraw/zinc/70/29/93/1024702993.db2.gz OIYCISUQEOHMBI-LBPRGKRZSA-N 1 2 332.831 3.804 20 0 EHADLO Clc1sccc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000342286312 1024716061 /nfs/dbraw/zinc/71/60/61/1024716061.db2.gz SIAKWZPGERHGGV-GFCCVEGCSA-N 1 2 338.860 3.502 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)ccc(C)c3F)CC2)c1 ZINC000346402414 1024720052 /nfs/dbraw/zinc/72/00/52/1024720052.db2.gz OEVOICMYTYYQOH-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)o1 ZINC000895692796 1024726628 /nfs/dbraw/zinc/72/66/28/1024726628.db2.gz WNABIBKHPWKBBQ-PJVUMNMVSA-N 1 2 329.371 3.581 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC(C2CCCCC2)C1 ZINC000425318551 1024746560 /nfs/dbraw/zinc/74/65/60/1024746560.db2.gz UJXWOBYDGWVQTD-IBGZPJMESA-N 1 2 337.467 3.970 20 0 EHADLO C[C@H](CCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000151822526 1024750270 /nfs/dbraw/zinc/75/02/70/1024750270.db2.gz LIDRFFAUKOHGSC-MSOLQXFVSA-N 1 2 339.483 3.785 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000425315505 1024751389 /nfs/dbraw/zinc/75/13/89/1024751389.db2.gz OOYYTKCBCDXRNM-CEXWTWQISA-N 1 2 337.467 3.874 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000346424527 1024752138 /nfs/dbraw/zinc/75/21/38/1024752138.db2.gz UEADUXCWGKYHLS-KURKYZTESA-N 1 2 335.492 3.544 20 0 EHADLO Cc1nnc(C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)o1 ZINC000281224465 1024762496 /nfs/dbraw/zinc/76/24/96/1024762496.db2.gz DYPXNQVBPQLGQW-UHFFFAOYSA-N 1 2 343.324 3.858 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)nc(Cl)c1 ZINC000934208229 1024764510 /nfs/dbraw/zinc/76/45/10/1024764510.db2.gz FMASFFLFJRJHRH-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001141837953 1024779968 /nfs/dbraw/zinc/77/99/68/1024779968.db2.gz WFRVGHXBJYTWFU-AWEZNQCLSA-N 1 2 348.643 3.854 20 0 EHADLO Fc1cc(Cl)cc(Br)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001141837953 1024779982 /nfs/dbraw/zinc/77/99/82/1024779982.db2.gz WFRVGHXBJYTWFU-AWEZNQCLSA-N 1 2 348.643 3.854 20 0 EHADLO CC(C)(C)OC(=O)C1CCC(Nc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000507954393 1024783316 /nfs/dbraw/zinc/78/33/16/1024783316.db2.gz VQSSKJBEUKJFMI-UHFFFAOYSA-N 1 2 345.487 3.994 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485276 1024793040 /nfs/dbraw/zinc/79/30/40/1024793040.db2.gz LZWQGENCYPNZTG-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346485276 1024793041 /nfs/dbraw/zinc/79/30/41/1024793041.db2.gz LZWQGENCYPNZTG-SUMWQHHRSA-N 1 2 334.366 3.818 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCCO1 ZINC000346490920 1024801133 /nfs/dbraw/zinc/80/11/33/1024801133.db2.gz KTZHGOBNEXSLDV-DOMZBBRYSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000346490920 1024801154 /nfs/dbraw/zinc/80/11/54/1024801154.db2.gz KTZHGOBNEXSLDV-DOMZBBRYSA-N 1 2 346.254 3.708 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(C)cc2Cl)c1C ZINC000474365785 1024825317 /nfs/dbraw/zinc/82/53/17/1024825317.db2.gz CNVSKSPAHXCRMA-UHFFFAOYSA-N 1 2 346.858 3.870 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000508008031 1024826984 /nfs/dbraw/zinc/82/69/84/1024826984.db2.gz ICGJOKCNUUNDRO-BQTXGFLSSA-N 1 2 347.871 3.913 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000508008031 1024827005 /nfs/dbraw/zinc/82/70/05/1024827005.db2.gz ICGJOKCNUUNDRO-BQTXGFLSSA-N 1 2 347.871 3.913 20 0 EHADLO CC(C)Oc1cccc(C=CC(=O)NNc2cc[nH+]cc2Cl)c1 ZINC000135877533 1033239342 /nfs/dbraw/zinc/23/93/42/1033239342.db2.gz ZRDUBLATRFJHCC-VOTSOKGWSA-N 1 2 331.803 3.679 20 0 EHADLO CCOc1cc(C[N@H+](C)Cn2cc[nH]c2=S)ccc1OC(F)F ZINC000173305079 1033239962 /nfs/dbraw/zinc/23/99/62/1033239962.db2.gz FJQOTZUZIOZTBV-UHFFFAOYSA-N 1 2 343.399 3.635 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cn2cc[nH]c2=S)ccc1OC(F)F ZINC000173305079 1033239981 /nfs/dbraw/zinc/23/99/81/1033239981.db2.gz FJQOTZUZIOZTBV-UHFFFAOYSA-N 1 2 343.399 3.635 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H]3Cc3ccccc3)ccc2[nH+]1 ZINC000346540475 1024848044 /nfs/dbraw/zinc/84/80/44/1024848044.db2.gz GLMUVLLHKLPYCN-SFHVURJKSA-N 1 2 334.423 3.882 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(F)c(F)c1F ZINC000104973022 1024863429 /nfs/dbraw/zinc/86/34/29/1024863429.db2.gz KUTVKHTXXKZNHG-UHFFFAOYSA-N 1 2 338.333 3.513 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000157279644 1024864725 /nfs/dbraw/zinc/86/47/25/1024864725.db2.gz YPGIFOBTAVDRHF-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO FC1(F)CC[C@@H](c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310358 1024875935 /nfs/dbraw/zinc/87/59/35/1024875935.db2.gz HYHCDZMQOQSGGL-CABCVRRESA-N 1 2 349.381 3.546 20 0 EHADLO FC1(F)CC[C@@H](c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310358 1024875944 /nfs/dbraw/zinc/87/59/44/1024875944.db2.gz HYHCDZMQOQSGGL-CABCVRRESA-N 1 2 349.381 3.546 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CO[C@H]3CCCc4ccccc43)cc2[nH+]1 ZINC000435404976 1024885216 /nfs/dbraw/zinc/88/52/16/1024885216.db2.gz ITBULVCOISPLJW-IBGZPJMESA-N 1 2 335.407 3.904 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000895858737 1024915737 /nfs/dbraw/zinc/91/57/37/1024915737.db2.gz KMZGZOCXBPIJHT-LBPRGKRZSA-N 1 2 339.361 3.823 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000071954392 1024923906 /nfs/dbraw/zinc/92/39/06/1024923906.db2.gz JIVUOZNYSDOGKU-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000071954392 1024923909 /nfs/dbraw/zinc/92/39/09/1024923909.db2.gz JIVUOZNYSDOGKU-OAHLLOKOSA-N 1 2 330.859 3.958 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)c1C ZINC000895880853 1024930089 /nfs/dbraw/zinc/93/00/89/1024930089.db2.gz XBNBVWWYDOARSL-UHFFFAOYSA-N 1 2 342.443 3.612 20 0 EHADLO CCCc1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)no1 ZINC000054985091 1033249890 /nfs/dbraw/zinc/24/98/90/1033249890.db2.gz MQOAXUGXGFYMJA-CQSZACIVSA-N 1 2 348.878 3.554 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 ZINC000761051736 1033247967 /nfs/dbraw/zinc/24/79/67/1033247967.db2.gz NPFTYJPQTSIJAF-SNVBAGLBSA-N 1 2 340.267 3.528 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 ZINC000761051736 1033247982 /nfs/dbraw/zinc/24/79/82/1033247982.db2.gz NPFTYJPQTSIJAF-SNVBAGLBSA-N 1 2 340.267 3.528 20 0 EHADLO OCc1cc[nH+]c(N2CCC[C@H](CNc3ccc(Cl)cc3)C2)c1 ZINC000895905440 1024965105 /nfs/dbraw/zinc/96/51/05/1024965105.db2.gz HWRITFDMKJOMRX-OAHLLOKOSA-N 1 2 331.847 3.556 20 0 EHADLO C[C@H](CC(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000563221001 1025008599 /nfs/dbraw/zinc/00/85/99/1025008599.db2.gz YIEPUPZFXJAXDI-BPQIPLTHSA-N 1 2 341.455 3.539 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054836 1033254459 /nfs/dbraw/zinc/25/44/59/1033254459.db2.gz JXAQPBGEWOWOHD-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054836 1033254470 /nfs/dbraw/zinc/25/44/70/1033254470.db2.gz JXAQPBGEWOWOHD-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435670255 1025074313 /nfs/dbraw/zinc/07/43/13/1025074313.db2.gz DQHADCJWWULECR-JQFCIGGWSA-N 1 2 325.399 3.778 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)C2 ZINC000582049108 1025090379 /nfs/dbraw/zinc/09/03/79/1025090379.db2.gz DMVCHWALHOTIMR-ILXRZTDVSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)CC2 ZINC000582049108 1025090387 /nfs/dbraw/zinc/09/03/87/1025090387.db2.gz DMVCHWALHOTIMR-ILXRZTDVSA-N 1 2 331.504 3.969 20 0 EHADLO COc1cccc2c1cc(Cl)nc2N1CCC(n2cc[nH+]c2)CC1 ZINC000892159032 1025102462 /nfs/dbraw/zinc/10/24/62/1025102462.db2.gz GABCSEICWGSOHW-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)C1 ZINC000349858188 1025102528 /nfs/dbraw/zinc/10/25/28/1025102528.db2.gz ZOEIESMMOLTDKE-HNNXBMFYSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)C1 ZINC000349858188 1025102534 /nfs/dbraw/zinc/10/25/34/1025102534.db2.gz ZOEIESMMOLTDKE-HNNXBMFYSA-N 1 2 346.818 3.653 20 0 EHADLO O=C(CCc1ccncc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171439207 1025107594 /nfs/dbraw/zinc/10/75/94/1025107594.db2.gz RHXQZMXKSPVIPN-UHFFFAOYSA-N 1 2 346.434 3.853 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000346777147 1025114485 /nfs/dbraw/zinc/11/44/85/1025114485.db2.gz CAGXUGLOTWGSAA-IDMDMSBLSA-N 1 2 332.513 3.780 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000548658024 1025121005 /nfs/dbraw/zinc/12/10/05/1025121005.db2.gz SYXJYDXKTNDPED-SJLPKXTDSA-N 1 2 340.471 3.593 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc(Cl)cc1F ZINC000068524844 1025122434 /nfs/dbraw/zinc/12/24/34/1025122434.db2.gz XGJSILIHVQKHNX-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccsc1 ZINC000342379844 1025125945 /nfs/dbraw/zinc/12/59/45/1025125945.db2.gz SGCNBGPNYOQNKV-HUUCEWRRSA-N 1 2 346.471 3.896 20 0 EHADLO CC[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C)cc1 ZINC000157778889 1025134933 /nfs/dbraw/zinc/13/49/33/1025134933.db2.gz WVKKQJJCZOEAFD-KRWDZBQOSA-N 1 2 325.456 3.939 20 0 EHADLO Cc1nnc(C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)[nH]1 ZINC000428240760 1025138760 /nfs/dbraw/zinc/13/87/60/1025138760.db2.gz RXPOIQNZHPNVNM-UHFFFAOYSA-N 1 2 339.270 3.875 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC001137741426 1025144588 /nfs/dbraw/zinc/14/45/88/1025144588.db2.gz ADNSZVULGCRTQP-UHFFFAOYSA-N 1 2 340.229 3.850 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522698239 1025162737 /nfs/dbraw/zinc/16/27/37/1025162737.db2.gz VEAYILPILIDCOZ-INIZCTEOSA-N 1 2 326.444 3.594 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000522709745 1025169850 /nfs/dbraw/zinc/16/98/50/1025169850.db2.gz XEHAJUZHAJLTGC-UHFFFAOYSA-N 1 2 340.471 3.568 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)s1 ZINC000897993360 1033264010 /nfs/dbraw/zinc/26/40/10/1033264010.db2.gz CPIKJYRTHMYWKG-OAHLLOKOSA-N 1 2 333.457 3.510 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000522735013 1025187082 /nfs/dbraw/zinc/18/70/82/1025187082.db2.gz PHCJNRMXRZLTDK-SFHVURJKSA-N 1 2 344.418 3.502 20 0 EHADLO O=S(=O)(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC000444039982 1025197686 /nfs/dbraw/zinc/19/76/86/1025197686.db2.gz VIBKFPCLHOSURR-UHFFFAOYSA-N 1 2 348.443 3.612 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000157914606 1025205970 /nfs/dbraw/zinc/20/59/70/1025205970.db2.gz XSVCGRRZEQAHRV-LBPRGKRZSA-N 1 2 342.491 3.601 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C(C)C)c(C)c1 ZINC000442229125 1025212900 /nfs/dbraw/zinc/21/29/00/1025212900.db2.gz ABFMRBOHCVLUNC-MJGOQNOKSA-N 1 2 342.487 3.927 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(-c2ccc(C)cc2)no1 ZINC000611574721 1025213523 /nfs/dbraw/zinc/21/35/23/1025213523.db2.gz ITVGJMSZDDZLIJ-SFHVURJKSA-N 1 2 328.412 3.568 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(-c2ccc(C)cc2)no1 ZINC000611574721 1025213534 /nfs/dbraw/zinc/21/35/34/1025213534.db2.gz ITVGJMSZDDZLIJ-SFHVURJKSA-N 1 2 328.412 3.568 20 0 EHADLO CSC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000602921282 1033267026 /nfs/dbraw/zinc/26/70/26/1033267026.db2.gz WYEHKYMVNLQUFC-SNVBAGLBSA-N 1 2 337.514 3.902 20 0 EHADLO C/C(=C/C(C)(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000588498344 1025219883 /nfs/dbraw/zinc/21/98/83/1025219883.db2.gz ICTASLMDFTUZNN-NXVVXOECSA-N 1 2 343.515 3.830 20 0 EHADLO O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346875163 1025271034 /nfs/dbraw/zinc/27/10/34/1025271034.db2.gz ATYZNEDVIQDJTH-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521229648 1025273564 /nfs/dbraw/zinc/27/35/64/1025273564.db2.gz OFUKOCFNKXYAFC-ZHALLVOQSA-N 1 2 346.540 3.719 20 0 EHADLO Cc1ccc(F)cc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474644265 1025280203 /nfs/dbraw/zinc/28/02/03/1025280203.db2.gz AMEBHLBKIYOALM-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1ccc(F)cc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474644265 1025280213 /nfs/dbraw/zinc/28/02/13/1025280213.db2.gz AMEBHLBKIYOALM-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1Cl ZINC000442449200 1025316560 /nfs/dbraw/zinc/31/65/60/1025316560.db2.gz UJJVMAXVWZDZRF-UHFFFAOYSA-N 1 2 344.846 3.706 20 0 EHADLO C[NH+](C)C1(c2nc(C3(c4ccc(F)cc4F)CCCC3)no2)CC1 ZINC000896296731 1025323042 /nfs/dbraw/zinc/32/30/42/1025323042.db2.gz KLWJEVHEKMDVJM-UHFFFAOYSA-N 1 2 333.382 3.759 20 0 EHADLO OCC1(C(F)(F)F)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000896329569 1025361812 /nfs/dbraw/zinc/36/18/12/1025361812.db2.gz RJWWSWNPKZWBLV-UHFFFAOYSA-N 1 2 328.309 3.515 20 0 EHADLO CCc1noc([C@H]2CC[C@H](Nc3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000896350316 1025372523 /nfs/dbraw/zinc/37/25/23/1025372523.db2.gz SIZHVZHHLSMGMI-STQMWFEESA-N 1 2 348.410 3.576 20 0 EHADLO CSc1c(F)cccc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000436080527 1025372897 /nfs/dbraw/zinc/37/28/97/1025372897.db2.gz NIMGYNXRCGHKRX-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000607746356 1033279755 /nfs/dbraw/zinc/27/97/55/1033279755.db2.gz HZOPUKQWAHPNFP-QRWLVFNGSA-N 1 2 345.414 3.675 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000607746356 1033279771 /nfs/dbraw/zinc/27/97/71/1033279771.db2.gz HZOPUKQWAHPNFP-QRWLVFNGSA-N 1 2 345.414 3.675 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1cccc(C(F)(F)F)c1 ZINC000346982882 1025384328 /nfs/dbraw/zinc/38/43/28/1025384328.db2.gz OJPNLDZBMUZPDL-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1cccc(C(F)(F)F)c1 ZINC000346982882 1025384343 /nfs/dbraw/zinc/38/43/43/1025384343.db2.gz OJPNLDZBMUZPDL-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000346992388 1025393418 /nfs/dbraw/zinc/39/34/18/1025393418.db2.gz AYBKZTKDFCAOST-OAHLLOKOSA-N 1 2 343.496 3.606 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000511082531 1025395224 /nfs/dbraw/zinc/39/52/24/1025395224.db2.gz RYVCMMMHUAINGF-OAQYLSRUSA-N 1 2 338.451 3.882 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000511082531 1025395238 /nfs/dbraw/zinc/39/52/38/1025395238.db2.gz RYVCMMMHUAINGF-OAQYLSRUSA-N 1 2 338.451 3.882 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000285583633 1025397704 /nfs/dbraw/zinc/39/77/04/1025397704.db2.gz IVDWJSGSZNUBMG-AWEZNQCLSA-N 1 2 341.333 3.656 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000285583633 1025397718 /nfs/dbraw/zinc/39/77/18/1025397718.db2.gz IVDWJSGSZNUBMG-AWEZNQCLSA-N 1 2 341.333 3.656 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC2(CCSCC2)CC1 ZINC000602952403 1033276344 /nfs/dbraw/zinc/27/63/44/1033276344.db2.gz UTWPIRUWHGDXDV-AWEZNQCLSA-N 1 2 325.499 3.571 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000324381649 1025418315 /nfs/dbraw/zinc/41/83/15/1025418315.db2.gz NJIDPCKFOMHANC-LSDHHAIUSA-N 1 2 328.460 3.815 20 0 EHADLO Cc1cncc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000442689681 1025426146 /nfs/dbraw/zinc/42/61/46/1025426146.db2.gz PKPJQIUVGILLFY-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001141892764 1025436893 /nfs/dbraw/zinc/43/68/93/1025436893.db2.gz XXVNNVUOSIUUTQ-NOZJJQNGSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001141892764 1025436896 /nfs/dbraw/zinc/43/68/96/1025436896.db2.gz XXVNNVUOSIUUTQ-NOZJJQNGSA-N 1 2 348.643 3.852 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425482826 1025429468 /nfs/dbraw/zinc/42/94/68/1025429468.db2.gz HOZGQLRKTIZPBR-LBPRGKRZSA-N 1 2 347.484 3.861 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000281732573 1025431323 /nfs/dbraw/zinc/43/13/23/1025431323.db2.gz XWMYMOJVIBJTFI-SNVBAGLBSA-N 1 2 326.227 3.537 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000347027128 1025432451 /nfs/dbraw/zinc/43/24/51/1025432451.db2.gz UOVGDWGIFKNVDX-ZIAGYGMSSA-N 1 2 343.393 3.547 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](CC)Cc1ccccc1 ZINC000574496917 1033282556 /nfs/dbraw/zinc/28/25/56/1033282556.db2.gz GCBBAIIOHPNQMI-LJQANCHMSA-N 1 2 341.499 3.953 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+][C@]3(CO)CCCc4ccccc43)o2)cc1 ZINC000281757217 1025445479 /nfs/dbraw/zinc/44/54/79/1025445479.db2.gz RLRUHZVTZLIRPK-QFIPXVFZSA-N 1 2 348.446 3.964 20 0 EHADLO Cc1ncccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277499534 1025460222 /nfs/dbraw/zinc/46/02/22/1025460222.db2.gz DOEMYXPZWJKDAG-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896456360 1025464176 /nfs/dbraw/zinc/46/41/76/1025464176.db2.gz TYWRELSZHINDBU-CYBMUJFWSA-N 1 2 335.439 3.735 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896456360 1025464183 /nfs/dbraw/zinc/46/41/83/1025464183.db2.gz TYWRELSZHINDBU-CYBMUJFWSA-N 1 2 335.439 3.735 20 0 EHADLO C[N@H+](Cc1c(Cl)ccc(Br)c1F)[C@@H]1CCCOC1 ZINC001141893902 1025465647 /nfs/dbraw/zinc/46/56/47/1025465647.db2.gz CPRQAKLUZGSUNL-SECBINFHSA-N 1 2 336.632 3.852 20 0 EHADLO C[N@@H+](Cc1c(Cl)ccc(Br)c1F)[C@@H]1CCCOC1 ZINC001141893902 1025465654 /nfs/dbraw/zinc/46/56/54/1025465654.db2.gz CPRQAKLUZGSUNL-SECBINFHSA-N 1 2 336.632 3.852 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@H]1C1CCCC1 ZINC000896478829 1025485632 /nfs/dbraw/zinc/48/56/32/1025485632.db2.gz CLGASXWSDKUDBL-OALUTQOASA-N 1 2 338.455 3.599 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(OC(F)F)cc1 ZINC000442815983 1025510625 /nfs/dbraw/zinc/51/06/25/1025510625.db2.gz WZFUWDRYLDZEQB-UHFFFAOYSA-N 1 2 335.276 3.662 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(OC(F)F)cc1 ZINC000442815983 1025510639 /nfs/dbraw/zinc/51/06/39/1025510639.db2.gz WZFUWDRYLDZEQB-UHFFFAOYSA-N 1 2 335.276 3.662 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000347117481 1025533620 /nfs/dbraw/zinc/53/36/20/1025533620.db2.gz UQICZGDGUFUNHN-OLZOCXBDSA-N 1 2 343.393 3.547 20 0 EHADLO COC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000657365126 1025534959 /nfs/dbraw/zinc/53/49/59/1025534959.db2.gz WRSNIOMBKIEARY-CQSZACIVSA-N 1 2 327.350 3.523 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000657365126 1025534974 /nfs/dbraw/zinc/53/49/74/1025534974.db2.gz WRSNIOMBKIEARY-CQSZACIVSA-N 1 2 327.350 3.523 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1C1CC1)CCO2 ZINC000896536872 1025554699 /nfs/dbraw/zinc/55/46/99/1025554699.db2.gz JFUGDZUXAMULKN-CQSZACIVSA-N 1 2 348.244 3.594 20 0 EHADLO COc1cccc2c(N3CCC(C(=O)OC(C)(C)C)CC3)cc[nH+]c12 ZINC000436298281 1025561724 /nfs/dbraw/zinc/56/17/24/1025561724.db2.gz YMRGYHVMVCCINN-UHFFFAOYSA-N 1 2 342.439 3.802 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000281835577 1025581468 /nfs/dbraw/zinc/58/14/68/1025581468.db2.gz SJFGMVZVWSRZOE-GOSISDBHSA-N 1 2 325.456 3.573 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[C@@H](C(C)C)C1)C2 ZINC000530281925 1025591125 /nfs/dbraw/zinc/59/11/25/1025591125.db2.gz NBUIDGTXEYMTBH-OAGGEKHMSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[C@@H](C(C)C)C1)CC2 ZINC000530281925 1025591138 /nfs/dbraw/zinc/59/11/38/1025591138.db2.gz NBUIDGTXEYMTBH-OAGGEKHMSA-N 1 2 331.504 3.969 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1C(F)(F)F ZINC000898021138 1033293889 /nfs/dbraw/zinc/29/38/89/1033293889.db2.gz VPGZVBAPCKVQIR-UHFFFAOYSA-N 1 2 343.296 3.809 20 0 EHADLO COc1cc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc(Cl)c1OC ZINC000442961368 1025621974 /nfs/dbraw/zinc/62/19/74/1025621974.db2.gz JBPRFQCDCGAXKO-HUUCEWRRSA-N 1 2 339.863 3.889 20 0 EHADLO COc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc(Cl)c1OC ZINC000442961368 1025621985 /nfs/dbraw/zinc/62/19/85/1025621985.db2.gz JBPRFQCDCGAXKO-HUUCEWRRSA-N 1 2 339.863 3.889 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(Br)s2)[nH]1 ZINC000277520122 1025631139 /nfs/dbraw/zinc/63/11/39/1025631139.db2.gz XKFVCVDJQLKYOA-RKDXNWHRSA-N 1 2 343.294 3.993 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892227021 1025630669 /nfs/dbraw/zinc/63/06/69/1025630669.db2.gz YZHZUBQVBYYTGI-NVGVWMPQSA-N 1 2 341.373 3.518 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892227021 1025630677 /nfs/dbraw/zinc/63/06/77/1025630677.db2.gz YZHZUBQVBYYTGI-NVGVWMPQSA-N 1 2 341.373 3.518 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000582234705 1025641509 /nfs/dbraw/zinc/64/15/09/1025641509.db2.gz JHXUCVODWPLWQB-MJGOQNOKSA-N 1 2 341.430 3.973 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000443013579 1025665500 /nfs/dbraw/zinc/66/55/00/1025665500.db2.gz LPPNMOYQEPWKTC-SJLPKXTDSA-N 1 2 344.503 3.840 20 0 EHADLO c1cc(-c2n[nH]cc2C[NH2+]Cc2ncc(-c3ccccc3)cn2)cs1 ZINC000436413342 1025692114 /nfs/dbraw/zinc/69/21/14/1025692114.db2.gz PAFQPSAWSAAMGG-UHFFFAOYSA-N 1 2 347.447 3.885 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000081315865 1025710421 /nfs/dbraw/zinc/71/04/21/1025710421.db2.gz OWJARGSGBHQAHR-QGZVFWFLSA-N 1 2 339.464 3.812 20 0 EHADLO COc1ccccc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000530366389 1025710708 /nfs/dbraw/zinc/71/07/08/1025710708.db2.gz ZPVXZJCAGJULHG-OAGGEKHMSA-N 1 2 341.455 3.877 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cncc3ccccc32)c1C ZINC000521847206 1025719028 /nfs/dbraw/zinc/71/90/28/1025719028.db2.gz WJENBDKAZJPROM-UHFFFAOYSA-N 1 2 335.407 3.527 20 0 EHADLO COCCC1(c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)CCCC1 ZINC000896626285 1025734225 /nfs/dbraw/zinc/73/42/25/1025734225.db2.gz OWBYWRKOAGADCA-MRXNPFEDSA-N 1 2 329.444 3.569 20 0 EHADLO CC1(C)C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccccc2O1 ZINC000121734109 1025741768 /nfs/dbraw/zinc/74/17/68/1025741768.db2.gz DTTIWLMAXGQBBN-SFHVURJKSA-N 1 2 347.418 3.905 20 0 EHADLO COc1cccc2c(N[C@H]3CCc4cn(C(C)C)nc4C3)cc[nH+]c12 ZINC000436455320 1025751085 /nfs/dbraw/zinc/75/10/85/1025751085.db2.gz IXSXQGQBWXDMQS-HNNXBMFYSA-N 1 2 336.439 3.990 20 0 EHADLO Cc1ccc(CCC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000081318932 1025755910 /nfs/dbraw/zinc/75/59/10/1025755910.db2.gz KWHIYKSDBFFXDL-FQEVSTJZSA-N 1 2 347.462 3.761 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H]1C ZINC000451283802 1025759116 /nfs/dbraw/zinc/75/91/16/1025759116.db2.gz GSIWWPPJADSDKX-JFIYKMOQSA-N 1 2 343.515 3.998 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(CC(F)(F)F)cc2)c[nH+]1 ZINC000896645332 1025780306 /nfs/dbraw/zinc/78/03/06/1025780306.db2.gz MJALMDIVKXAQFW-UHFFFAOYSA-N 1 2 325.334 3.670 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444153255 1025787986 /nfs/dbraw/zinc/78/79/86/1025787986.db2.gz XQUQWLKRDHHUCI-SJLPKXTDSA-N 1 2 344.503 3.518 20 0 EHADLO C[N@H+](Cc1nc(Cc2cccc3ccccc32)no1)[C@H]1CCSC1 ZINC000443206095 1025810711 /nfs/dbraw/zinc/81/07/11/1025810711.db2.gz VOCSWWMJFRLOEH-INIZCTEOSA-N 1 2 339.464 3.751 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cccc3ccccc32)no1)[C@H]1CCSC1 ZINC000443206095 1025810727 /nfs/dbraw/zinc/81/07/27/1025810727.db2.gz VOCSWWMJFRLOEH-INIZCTEOSA-N 1 2 339.464 3.751 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000684820631 1025832521 /nfs/dbraw/zinc/83/25/21/1025832521.db2.gz DQBFWKBEXAZLMG-UHFFFAOYSA-N 1 2 330.391 3.947 20 0 EHADLO COCC1(C2CC2)C[NH+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000639380943 1025842440 /nfs/dbraw/zinc/84/24/40/1025842440.db2.gz YXLXHUJRZFXSSE-UHFFFAOYSA-N 1 2 332.444 3.808 20 0 EHADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccccn1 ZINC000303957747 1025848913 /nfs/dbraw/zinc/84/89/13/1025848913.db2.gz YAHVHYIGGYIBAE-UHFFFAOYSA-N 1 2 331.419 3.723 20 0 EHADLO Brc1ccc(-c2nnc(C[NH2+]Cc3ccccc3)[nH]2)cc1 ZINC000119740649 1025850407 /nfs/dbraw/zinc/85/04/07/1025850407.db2.gz IFDAHRPNSOLNEV-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347306555 1025860479 /nfs/dbraw/zinc/86/04/79/1025860479.db2.gz MJZWIXXKXALFQY-AWEZNQCLSA-N 1 2 335.448 3.596 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347306555 1025860501 /nfs/dbraw/zinc/86/05/01/1025860501.db2.gz MJZWIXXKXALFQY-AWEZNQCLSA-N 1 2 335.448 3.596 20 0 EHADLO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474923369 1025891292 /nfs/dbraw/zinc/89/12/92/1025891292.db2.gz DTTXICIXVAMHKV-HOTGVXAUSA-N 1 2 328.460 3.688 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000303986274 1025901122 /nfs/dbraw/zinc/90/11/22/1025901122.db2.gz IRMVDYBQOLEXGB-SUMWQHHRSA-N 1 2 347.434 3.839 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000522069560 1025924060 /nfs/dbraw/zinc/92/40/60/1025924060.db2.gz XPJGHUXYUFPQCQ-ZDUSSCGKSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000522069560 1025924083 /nfs/dbraw/zinc/92/40/83/1025924083.db2.gz XPJGHUXYUFPQCQ-ZDUSSCGKSA-N 1 2 327.255 3.580 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443335050 1025925502 /nfs/dbraw/zinc/92/55/02/1025925502.db2.gz USAXLDIUTWDKGT-UHFFFAOYSA-N 1 2 335.419 3.536 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443335050 1025925512 /nfs/dbraw/zinc/92/55/12/1025925512.db2.gz USAXLDIUTWDKGT-UHFFFAOYSA-N 1 2 335.419 3.536 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000665467961 1025956280 /nfs/dbraw/zinc/95/62/80/1025956280.db2.gz NQTVYGZZBLIXMQ-IBGZPJMESA-N 1 2 346.434 3.518 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913080 1025962319 /nfs/dbraw/zinc/96/23/19/1025962319.db2.gz NLOMQPNSCQZZQO-UHFFFAOYSA-N 1 2 332.473 3.769 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000444257503 1025979612 /nfs/dbraw/zinc/97/96/12/1025979612.db2.gz DTWZBAOJFDJCJJ-GXTWGEPZSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000444257503 1025979616 /nfs/dbraw/zinc/97/96/16/1025979616.db2.gz DTWZBAOJFDJCJJ-GXTWGEPZSA-N 1 2 349.525 3.559 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001143561683 1025981413 /nfs/dbraw/zinc/98/14/13/1025981413.db2.gz XBMRMWJPJSLBTK-QGZVFWFLSA-N 1 2 333.378 3.765 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001143561683 1025981421 /nfs/dbraw/zinc/98/14/21/1025981421.db2.gz XBMRMWJPJSLBTK-QGZVFWFLSA-N 1 2 333.378 3.765 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC(C)(C)C2)c(C)n1-c1nccs1 ZINC000444264709 1025981778 /nfs/dbraw/zinc/98/17/78/1025981778.db2.gz DHWUWYKNMYMGIA-UHFFFAOYSA-N 1 2 349.525 3.561 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC(C)(C)C2)c(C)n1-c1nccs1 ZINC000444264709 1025981788 /nfs/dbraw/zinc/98/17/88/1025981788.db2.gz DHWUWYKNMYMGIA-UHFFFAOYSA-N 1 2 349.525 3.561 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000191186890 1025987920 /nfs/dbraw/zinc/98/79/20/1025987920.db2.gz SEFWOQMULCMUGB-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(-c3cccs3)cc2)C2CC2)C1 ZINC000277564314 1026002669 /nfs/dbraw/zinc/00/26/69/1026002669.db2.gz AQRYIBXGHALNFM-QGZVFWFLSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(-c3cccs3)cc2)C2CC2)C1 ZINC000277564314 1026002685 /nfs/dbraw/zinc/00/26/85/1026002685.db2.gz AQRYIBXGHALNFM-QGZVFWFLSA-N 1 2 347.505 3.567 20 0 EHADLO COCC[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000431392581 1026028155 /nfs/dbraw/zinc/02/81/55/1026028155.db2.gz PAFDQDDNWJYUTC-UHFFFAOYSA-N 1 2 341.274 3.651 20 0 EHADLO COCC[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000431392581 1026028166 /nfs/dbraw/zinc/02/81/66/1026028166.db2.gz PAFDQDDNWJYUTC-UHFFFAOYSA-N 1 2 341.274 3.651 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCOc2cc(C)ccc2C)[nH+]c1C ZINC000896922729 1026045291 /nfs/dbraw/zinc/04/52/91/1026045291.db2.gz BZRSWQGOACDYHB-UHFFFAOYSA-N 1 2 329.444 3.509 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000158506041 1026058638 /nfs/dbraw/zinc/05/86/38/1026058638.db2.gz CFYWPBJWXBSGGA-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000158506041 1026058652 /nfs/dbraw/zinc/05/86/52/1026058652.db2.gz CFYWPBJWXBSGGA-CYBMUJFWSA-N 1 2 344.402 3.935 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314869 1026076616 /nfs/dbraw/zinc/07/66/16/1026076616.db2.gz UAGRCNPRFZRQMC-WMZOPIPTSA-N 1 2 332.492 3.835 20 0 EHADLO CC[C@H]1C[C@H](Nc2cccc(C[N@H+](C)Cc3cscn3)c2)CO1 ZINC000657409504 1026079326 /nfs/dbraw/zinc/07/93/26/1026079326.db2.gz ZBDSBFGWYAAELJ-WMZOPIPTSA-N 1 2 331.485 3.755 20 0 EHADLO CC[C@H]1C[C@H](Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)CO1 ZINC000657409504 1026079340 /nfs/dbraw/zinc/07/93/40/1026079340.db2.gz ZBDSBFGWYAAELJ-WMZOPIPTSA-N 1 2 331.485 3.755 20 0 EHADLO Cc1ccc(-c2cccnc2)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000516172136 1026087682 /nfs/dbraw/zinc/08/76/82/1026087682.db2.gz CGLNKKOBURSXET-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO c1cn(-c2ccc(Cc3noc(-c4coc(C5CCC5)n4)n3)cc2)c[nH+]1 ZINC000896823224 1026093401 /nfs/dbraw/zinc/09/34/01/1026093401.db2.gz LMEWXNJXUMZTRS-UHFFFAOYSA-N 1 2 347.378 3.769 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccccc1C(=O)c1ccccc1 ZINC000684853485 1026124406 /nfs/dbraw/zinc/12/44/06/1026124406.db2.gz HWPOLZJQDSFPDR-UHFFFAOYSA-N 1 2 341.370 3.818 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042930384 1026131700 /nfs/dbraw/zinc/13/17/00/1026131700.db2.gz NUMMKCXFIDPPLS-QGZVFWFLSA-N 1 2 342.487 3.945 20 0 EHADLO c1cn(C2CC2)c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)n1 ZINC000896943267 1026136723 /nfs/dbraw/zinc/13/67/23/1026136723.db2.gz SIOWSVZJPBZYQI-UHFFFAOYSA-N 1 2 328.485 3.543 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000516216328 1026147134 /nfs/dbraw/zinc/14/71/34/1026147134.db2.gz FQSHSIUQNBRDOS-WMLDXEAASA-N 1 2 342.439 3.785 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000516216328 1026147142 /nfs/dbraw/zinc/14/71/42/1026147142.db2.gz FQSHSIUQNBRDOS-WMLDXEAASA-N 1 2 342.439 3.785 20 0 EHADLO CSc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000451685847 1026227505 /nfs/dbraw/zinc/22/75/05/1026227505.db2.gz CSZHHWLFPMOCTG-QGZVFWFLSA-N 1 2 346.883 3.849 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000530774758 1026283644 /nfs/dbraw/zinc/28/36/44/1026283644.db2.gz JZNVAIJXDCKTAT-UHFFFAOYSA-N 1 2 334.423 3.691 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858957 1026330922 /nfs/dbraw/zinc/33/09/22/1026330922.db2.gz SKODFBSAFNXFCS-ACJLOTCBSA-N 1 2 335.407 3.954 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858957 1026330933 /nfs/dbraw/zinc/33/09/33/1026330933.db2.gz SKODFBSAFNXFCS-ACJLOTCBSA-N 1 2 335.407 3.954 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000192752328 1026335853 /nfs/dbraw/zinc/33/58/53/1026335853.db2.gz HGXZZCVHHFNMRN-CQSZACIVSA-N 1 2 327.428 3.872 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841562 1026337134 /nfs/dbraw/zinc/33/71/34/1026337134.db2.gz PXBSGNVZZVWMAN-MAUKXSAKSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841562 1026337142 /nfs/dbraw/zinc/33/71/42/1026337142.db2.gz PXBSGNVZZVWMAN-MAUKXSAKSA-N 1 2 330.472 3.986 20 0 EHADLO Cc1ccccc1/C=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030584795 1026339888 /nfs/dbraw/zinc/33/98/88/1026339888.db2.gz QEYDOZLALOWLSI-MDZDMXLPSA-N 1 2 331.419 3.569 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CCC[C@]3(CCSC3)C2)no1 ZINC000451980859 1026419727 /nfs/dbraw/zinc/41/97/27/1026419727.db2.gz ROBFPFXCGUNRMK-IBGZPJMESA-N 1 2 343.496 3.688 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CCC[C@]3(CCSC3)C2)no1 ZINC000451980859 1026419732 /nfs/dbraw/zinc/41/97/32/1026419732.db2.gz ROBFPFXCGUNRMK-IBGZPJMESA-N 1 2 343.496 3.688 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044270 1026454582 /nfs/dbraw/zinc/45/45/82/1026454582.db2.gz INNLZBYSMFCDNH-UQJZFXKTSA-N 1 2 336.277 3.668 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044270 1026454587 /nfs/dbraw/zinc/45/45/87/1026454587.db2.gz INNLZBYSMFCDNH-UQJZFXKTSA-N 1 2 336.277 3.668 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)Cc1ccnn1C ZINC000475329217 1026481224 /nfs/dbraw/zinc/48/12/24/1026481224.db2.gz ACJYBZKFNXYSCW-OAHLLOKOSA-N 1 2 332.467 3.674 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1ccnn1C ZINC000475329217 1026481237 /nfs/dbraw/zinc/48/12/37/1026481237.db2.gz ACJYBZKFNXYSCW-OAHLLOKOSA-N 1 2 332.467 3.674 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CCO1 ZINC000469880982 1026530485 /nfs/dbraw/zinc/53/04/85/1026530485.db2.gz LJRZNUCRELWUIM-SFHVURJKSA-N 1 2 328.843 3.882 20 0 EHADLO Clc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CCO1 ZINC000469880982 1026530492 /nfs/dbraw/zinc/53/04/92/1026530492.db2.gz LJRZNUCRELWUIM-SFHVURJKSA-N 1 2 328.843 3.882 20 0 EHADLO CC(C)(NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000342646142 1026557656 /nfs/dbraw/zinc/55/76/56/1026557656.db2.gz HUZKRABKOSTSFG-UHFFFAOYSA-N 1 2 340.452 3.668 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167914842 1026570769 /nfs/dbraw/zinc/57/07/69/1026570769.db2.gz UADATCBMLDMWGB-CJNGLKHVSA-N 1 2 344.459 3.604 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C ZINC000475413695 1026587909 /nfs/dbraw/zinc/58/79/09/1026587909.db2.gz XODMQNIVBOGVPH-CJNGLKHVSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C ZINC000475413695 1026587918 /nfs/dbraw/zinc/58/79/18/1026587918.db2.gz XODMQNIVBOGVPH-CJNGLKHVSA-N 1 2 336.501 3.822 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC000277712452 1026656187 /nfs/dbraw/zinc/65/61/87/1026656187.db2.gz YUHLEGXKKPURSJ-UHFFFAOYSA-N 1 2 341.499 3.953 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000342669305 1026657536 /nfs/dbraw/zinc/65/75/36/1026657536.db2.gz XSVSPEOHEABHNB-MRXNPFEDSA-N 1 2 343.452 3.571 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1 ZINC000342669305 1026657542 /nfs/dbraw/zinc/65/75/42/1026657542.db2.gz XSVSPEOHEABHNB-MRXNPFEDSA-N 1 2 343.452 3.571 20 0 EHADLO Cc1c(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cnn1CC(C)C ZINC000347324852 1026660780 /nfs/dbraw/zinc/66/07/80/1026660780.db2.gz JEPAJACKUSKTQG-UHFFFAOYSA-N 1 2 337.427 3.594 20 0 EHADLO Cc1sc2nc(C)nc(N3CCC(c4c[nH]c[nH+]4)CC3)c2c1C ZINC000531195146 1026668305 /nfs/dbraw/zinc/66/83/05/1026668305.db2.gz JERRZHROCYTJEX-UHFFFAOYSA-N 1 2 327.457 3.724 20 0 EHADLO COc1cc(Cl)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301191147 1026718571 /nfs/dbraw/zinc/71/85/71/1026718571.db2.gz MJHFVYUTCNXHAV-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO COc1cc(Cl)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301191147 1026718576 /nfs/dbraw/zinc/71/85/76/1026718576.db2.gz MJHFVYUTCNXHAV-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000665646463 1026722731 /nfs/dbraw/zinc/72/27/31/1026722731.db2.gz NDDPLSANNSFTNX-ZMSDIMECSA-N 1 2 343.858 3.551 20 0 EHADLO Clc1c(Br)cccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657490089 1026734386 /nfs/dbraw/zinc/73/43/86/1026734386.db2.gz DMYDBVVTJSWHAX-UHFFFAOYSA-N 1 2 340.652 3.535 20 0 EHADLO c1ccc([C@@H](Nc2cc(NCC3CC3)[nH+]cn2)c2ccccn2)cc1 ZINC000301252360 1026738430 /nfs/dbraw/zinc/73/84/30/1026738430.db2.gz AIIXAZIZINJBTO-HXUWFJFHSA-N 1 2 331.423 3.895 20 0 EHADLO c1ccc([C@@H](Nc2cc(NCC3CC3)nc[nH+]2)c2ccccn2)cc1 ZINC000301252360 1026738442 /nfs/dbraw/zinc/73/84/42/1026738442.db2.gz AIIXAZIZINJBTO-HXUWFJFHSA-N 1 2 331.423 3.895 20 0 EHADLO Cn1ccnc1[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(F)cc1 ZINC000342706229 1026786675 /nfs/dbraw/zinc/78/66/75/1026786675.db2.gz RMZNHZRJQLIPKL-KRWDZBQOSA-N 1 2 335.386 3.647 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000657501608 1026788134 /nfs/dbraw/zinc/78/81/34/1026788134.db2.gz YDICKBXJDKUUEO-HXPMCKFVSA-N 1 2 333.378 3.718 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+]C2CC(OCc3ccccc3)C2)n1 ZINC000582624551 1026797054 /nfs/dbraw/zinc/79/70/54/1026797054.db2.gz NIKVOWUITPMMFW-UHFFFAOYSA-N 1 2 348.393 3.519 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000301440084 1026807437 /nfs/dbraw/zinc/80/74/37/1026807437.db2.gz LXTWKGHAHGTSFX-GFCCVEGCSA-N 1 2 336.892 3.637 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000115603568 1026825493 /nfs/dbraw/zinc/82/54/93/1026825493.db2.gz VSVIHNHPDGSEKC-NEPJUHHUSA-N 1 2 345.809 3.867 20 0 EHADLO CC(C)[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1cccnc1 ZINC000301589858 1026864329 /nfs/dbraw/zinc/86/43/29/1026864329.db2.gz SVBKZIALTCPBBB-KRWDZBQOSA-N 1 2 325.460 3.714 20 0 EHADLO CC(C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccnc1 ZINC000301589858 1026864338 /nfs/dbraw/zinc/86/43/38/1026864338.db2.gz SVBKZIALTCPBBB-KRWDZBQOSA-N 1 2 325.460 3.714 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000668632675 1026868946 /nfs/dbraw/zinc/86/89/46/1026868946.db2.gz ZRLSQRZWSMQCMC-VXGBXAGGSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000668632675 1026868952 /nfs/dbraw/zinc/86/89/52/1026868952.db2.gz ZRLSQRZWSMQCMC-VXGBXAGGSA-N 1 2 334.407 3.943 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000531381619 1026869818 /nfs/dbraw/zinc/86/98/18/1026869818.db2.gz BFZZIBBWMAIVFW-LLVKDONJSA-N 1 2 348.796 3.886 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000531381619 1026869825 /nfs/dbraw/zinc/86/98/25/1026869825.db2.gz BFZZIBBWMAIVFW-LLVKDONJSA-N 1 2 348.796 3.886 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301668322 1026894142 /nfs/dbraw/zinc/89/41/42/1026894142.db2.gz PIVKABYZTFVXPK-LFVRLGFBSA-N 1 2 331.485 3.843 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccccc1N1CCOCC1 ZINC000301701723 1026906776 /nfs/dbraw/zinc/90/67/76/1026906776.db2.gz QGZUDWKLATTYJH-UHFFFAOYSA-N 1 2 333.435 3.992 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(Cl)cc3C)ccc2n1C ZINC000531438105 1026919292 /nfs/dbraw/zinc/91/92/92/1026919292.db2.gz XNJMUPAXRJZTRE-UHFFFAOYSA-N 1 2 349.843 3.644 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000123052187 1026943843 /nfs/dbraw/zinc/94/38/43/1026943843.db2.gz WQKAYXBROOMGKS-SFHVURJKSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1nnc2ccccn21 ZINC000079442168 1026955183 /nfs/dbraw/zinc/95/51/83/1026955183.db2.gz LMXUUDIJZIUGSX-LBPRGKRZSA-N 1 2 345.244 3.685 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000079442168 1026955186 /nfs/dbraw/zinc/95/51/86/1026955186.db2.gz LMXUUDIJZIUGSX-LBPRGKRZSA-N 1 2 345.244 3.685 20 0 EHADLO OCC[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000305759668 1026955646 /nfs/dbraw/zinc/95/56/46/1026955646.db2.gz CYNMQOIUFMWHMO-KRWDZBQOSA-N 1 2 326.371 3.694 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1ccccc1F ZINC000301857537 1026966985 /nfs/dbraw/zinc/96/69/85/1026966985.db2.gz CKMKORJMUOQAQT-LBPRGKRZSA-N 1 2 343.406 3.600 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000301858847 1026967611 /nfs/dbraw/zinc/96/76/11/1026967611.db2.gz DVLQNHZSLALETA-GFCCVEGCSA-N 1 2 347.422 3.734 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H](CCCO)c1ccccc1 ZINC000301867985 1026971663 /nfs/dbraw/zinc/97/16/63/1026971663.db2.gz IIEWOOPASIASAO-MRXNPFEDSA-N 1 2 339.443 3.507 20 0 EHADLO CN(C[C@H]1CCC[C@H]1O)c1cc[nH+]c2c(Br)cccc12 ZINC000301875443 1026974436 /nfs/dbraw/zinc/97/44/36/1026974436.db2.gz YDMMCQBHALMYCA-IAQYHMDHSA-N 1 2 335.245 3.595 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000548752809 1026974895 /nfs/dbraw/zinc/97/48/95/1026974895.db2.gz PUQNNDUTZRXKCR-GUTXKFCHSA-N 1 2 343.452 3.502 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000548752809 1026974903 /nfs/dbraw/zinc/97/49/03/1026974903.db2.gz PUQNNDUTZRXKCR-GUTXKFCHSA-N 1 2 343.452 3.502 20 0 EHADLO Nc1nc(NCc2cc(F)ccc2Br)[nH+]c2ccccc12 ZINC000301880570 1026976340 /nfs/dbraw/zinc/97/63/40/1026976340.db2.gz LUFWLNFEBDPZME-UHFFFAOYSA-N 1 2 347.191 3.726 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc(Cc3ccccc3)cs2)c[nH+]1 ZINC000897368103 1026977494 /nfs/dbraw/zinc/97/74/94/1026977494.db2.gz KGTLLKAYAQDORF-UHFFFAOYSA-N 1 2 340.452 3.613 20 0 EHADLO CC(C)c1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000301890144 1026982234 /nfs/dbraw/zinc/98/22/34/1026982234.db2.gz SWOOJNBUJMMSIH-HNNXBMFYSA-N 1 2 340.471 3.840 20 0 EHADLO CCc1nc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cs1 ZINC000301897876 1026985620 /nfs/dbraw/zinc/98/56/20/1026985620.db2.gz RQQDRSVPLZCWLR-SNVBAGLBSA-N 1 2 330.461 3.773 20 0 EHADLO Cc1ccccc1O[C@H](C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301901840 1026987044 /nfs/dbraw/zinc/98/70/44/1026987044.db2.gz VWZUGVMZWWIMDF-CQSZACIVSA-N 1 2 339.443 3.769 20 0 EHADLO CCC1(CC)[C@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C[C@@H]1OC ZINC000301937544 1027001527 /nfs/dbraw/zinc/00/15/27/1027001527.db2.gz SBLGVFCLLFXZCR-CABCVRRESA-N 1 2 345.491 3.611 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@@H]2Nc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301976572 1027012540 /nfs/dbraw/zinc/01/25/40/1027012540.db2.gz CNVNWEKBYDZVEE-YJBOKZPZSA-N 1 2 344.846 3.894 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@@H]2Nc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301976572 1027012545 /nfs/dbraw/zinc/01/25/45/1027012545.db2.gz CNVNWEKBYDZVEE-YJBOKZPZSA-N 1 2 344.846 3.894 20 0 EHADLO Cc1ccc(-c2noc(NCc3cc[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000302038342 1027031348 /nfs/dbraw/zinc/03/13/48/1027031348.db2.gz KTJSOVSHGFECGA-UHFFFAOYSA-N 1 2 335.411 3.652 20 0 EHADLO Nc1nc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]c2ccccc12 ZINC000302039067 1027032199 /nfs/dbraw/zinc/03/21/99/1027032199.db2.gz VSKUDTAGNOSGCI-ZDUSSCGKSA-N 1 2 339.830 3.556 20 0 EHADLO Cc1nc(NC[C@H](O)c2ccc(Cl)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302068856 1027041547 /nfs/dbraw/zinc/04/15/47/1027041547.db2.gz DLNRCHIHFMLXAA-INIZCTEOSA-N 1 2 335.810 3.602 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000342789531 1027070903 /nfs/dbraw/zinc/07/09/03/1027070903.db2.gz CDPADJPFWBVDQX-IRXDYDNUSA-N 1 2 343.496 3.532 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)cc(F)c1 ZINC000043881231 1027128436 /nfs/dbraw/zinc/12/84/36/1027128436.db2.gz WZSLDEGKYJQMPK-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO COc1cccc2c(N3CC[C@@H](Cc4nccs4)C3)cc[nH+]c12 ZINC000897285370 1027142635 /nfs/dbraw/zinc/14/26/35/1027142635.db2.gz WNSNQVDQDFMXSK-ZDUSSCGKSA-N 1 2 325.437 3.769 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534035 1027146136 /nfs/dbraw/zinc/14/61/36/1027146136.db2.gz XHPTYFOCWQDHTJ-CQSZACIVSA-N 1 2 347.846 3.628 20 0 EHADLO CCc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)sc1C ZINC000501264136 1027162517 /nfs/dbraw/zinc/16/25/17/1027162517.db2.gz JGHQXHNZYGVFCH-UHFFFAOYSA-N 1 2 343.496 3.934 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553869 1027167946 /nfs/dbraw/zinc/16/79/46/1027167946.db2.gz WPQYUOXOGOPTAY-CQSZACIVSA-N 1 2 339.370 3.829 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075555462 1027170588 /nfs/dbraw/zinc/17/05/88/1027170588.db2.gz CKELVHNSEHSERB-QGZVFWFLSA-N 1 2 341.455 3.854 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555137 1027171263 /nfs/dbraw/zinc/17/12/63/1027171263.db2.gz LCZABADSMWBDCO-QGZVFWFLSA-N 1 2 341.455 3.627 20 0 EHADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000272924933 1027180434 /nfs/dbraw/zinc/18/04/34/1027180434.db2.gz YQBMLYKDNGESRT-HSZRJFAPSA-N 1 2 349.883 3.644 20 0 EHADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000272924933 1027180445 /nfs/dbraw/zinc/18/04/45/1027180445.db2.gz YQBMLYKDNGESRT-HSZRJFAPSA-N 1 2 349.883 3.644 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342802879 1027190745 /nfs/dbraw/zinc/19/07/45/1027190745.db2.gz RMRBSDGOHLGFJU-FXAWDEMLSA-N 1 2 325.456 3.970 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000126334936 1027191372 /nfs/dbraw/zinc/19/13/72/1027191372.db2.gz ROBLFQRRRRKWLD-LJQANCHMSA-N 1 2 338.382 3.653 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000126334936 1027191381 /nfs/dbraw/zinc/19/13/81/1027191381.db2.gz ROBLFQRRRRKWLD-LJQANCHMSA-N 1 2 338.382 3.653 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)cn2c1 ZINC000501318176 1027194743 /nfs/dbraw/zinc/19/47/43/1027194743.db2.gz AYRHRYGGLOBZPH-FRFSOERESA-N 1 2 345.512 3.817 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)[C@H](C)c1nc(COC)no1 ZINC000272980875 1027208001 /nfs/dbraw/zinc/20/80/01/1027208001.db2.gz DAWYOTDJJUIINN-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C)c1nc(COC)no1 ZINC000272980875 1027208019 /nfs/dbraw/zinc/20/80/19/1027208019.db2.gz DAWYOTDJJUIINN-CQSZACIVSA-N 1 2 325.412 3.952 20 0 EHADLO CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCO1 ZINC000273005025 1027221503 /nfs/dbraw/zinc/22/15/03/1027221503.db2.gz QFCWBNYHXOZVMW-PBHICJAKSA-N 1 2 327.428 3.857 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416110 1027254804 /nfs/dbraw/zinc/25/48/04/1027254804.db2.gz GWFBFLDADNACSK-ZUZCIYMTSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416110 1027254817 /nfs/dbraw/zinc/25/48/17/1027254817.db2.gz GWFBFLDADNACSK-ZUZCIYMTSA-N 1 2 333.234 3.605 20 0 EHADLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccc(F)c(F)c2n1 ZINC000302721289 1027255215 /nfs/dbraw/zinc/25/52/15/1027255215.db2.gz LLIJZAZMIBNLMA-ZDUSSCGKSA-N 1 2 340.377 3.907 20 0 EHADLO Clc1ccc2c(c1)CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000302721835 1027255546 /nfs/dbraw/zinc/25/55/46/1027255546.db2.gz MICPSWKJAURGEU-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO Clc1ccc2c(c1)CCN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000302721835 1027255560 /nfs/dbraw/zinc/25/55/60/1027255560.db2.gz MICPSWKJAURGEU-UHFFFAOYSA-N 1 2 328.847 3.683 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000127078093 1027269889 /nfs/dbraw/zinc/26/98/89/1027269889.db2.gz DQVCDFBVMWSTDB-QGZVFWFLSA-N 1 2 325.412 3.692 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000076343161 1027274802 /nfs/dbraw/zinc/27/48/02/1027274802.db2.gz BUEAZJUQZOUUTJ-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(-c3ccco3)on2)c1 ZINC000273125645 1027279195 /nfs/dbraw/zinc/27/91/95/1027279195.db2.gz YYQDMRSQMXCIEM-GFCCVEGCSA-N 1 2 328.368 3.803 20 0 EHADLO CC(C)c1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(C)(C)C)n1 ZINC000302785971 1027291957 /nfs/dbraw/zinc/29/19/57/1027291957.db2.gz VWJIGBKQWWFEHK-MRXNPFEDSA-N 1 2 340.471 3.950 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000302785010 1027292249 /nfs/dbraw/zinc/29/22/49/1027292249.db2.gz MIHOQHZFVGJUQX-SFHVURJKSA-N 1 2 328.485 3.839 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000302785010 1027292260 /nfs/dbraw/zinc/29/22/60/1027292260.db2.gz MIHOQHZFVGJUQX-SFHVURJKSA-N 1 2 328.485 3.839 20 0 EHADLO CCCOc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)c(C)c1 ZINC000302823099 1027311740 /nfs/dbraw/zinc/31/17/40/1027311740.db2.gz FKYDVWBVYYIFGS-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO CCCOc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)c(C)c1 ZINC000302823099 1027311756 /nfs/dbraw/zinc/31/17/56/1027311756.db2.gz FKYDVWBVYYIFGS-UHFFFAOYSA-N 1 2 326.444 3.786 20 0 EHADLO Cc1ccc(Nc2nc(C[NH2+][C@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273237972 1027328600 /nfs/dbraw/zinc/32/86/00/1027328600.db2.gz BBECLJKYAVNGMW-CYBMUJFWSA-N 1 2 327.457 3.779 20 0 EHADLO Clc1cccc2c1CC[C@@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302901166 1027351582 /nfs/dbraw/zinc/35/15/82/1027351582.db2.gz QPSROWPPCJTARO-HNNXBMFYSA-N 1 2 346.887 3.783 20 0 EHADLO Clc1cccc2c1CC[C@@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302901166 1027351596 /nfs/dbraw/zinc/35/15/96/1027351596.db2.gz QPSROWPPCJTARO-HNNXBMFYSA-N 1 2 346.887 3.783 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CO)cc3)n2)ccc1F ZINC000273301919 1027364172 /nfs/dbraw/zinc/36/41/72/1027364172.db2.gz KUPUKARMVIOUTK-CYBMUJFWSA-N 1 2 341.386 3.527 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cccnc2N2CCCC2)s1 ZINC000657572219 1027371318 /nfs/dbraw/zinc/37/13/18/1027371318.db2.gz LXFCAOVKLMGRFP-UHFFFAOYSA-N 1 2 330.501 3.726 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446152 1027397976 /nfs/dbraw/zinc/39/79/76/1027397976.db2.gz OCMHJQDNHZTFDJ-GDBMZVCRSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446152 1027397991 /nfs/dbraw/zinc/39/79/91/1027397991.db2.gz OCMHJQDNHZTFDJ-GDBMZVCRSA-N 1 2 349.521 3.838 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273395307 1027411409 /nfs/dbraw/zinc/41/14/09/1027411409.db2.gz FSOYMMUHDRRDJZ-DLBZAZTESA-N 1 2 347.434 3.903 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273395307 1027411421 /nfs/dbraw/zinc/41/14/21/1027411421.db2.gz FSOYMMUHDRRDJZ-DLBZAZTESA-N 1 2 347.434 3.903 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273395318 1027411774 /nfs/dbraw/zinc/41/17/74/1027411774.db2.gz FSOYMMUHDRRDJZ-IRXDYDNUSA-N 1 2 347.434 3.903 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273395318 1027411783 /nfs/dbraw/zinc/41/17/83/1027411783.db2.gz FSOYMMUHDRRDJZ-IRXDYDNUSA-N 1 2 347.434 3.903 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3scnc3C3CCCC3)n2)C1 ZINC000273499603 1027460619 /nfs/dbraw/zinc/46/06/19/1027460619.db2.gz RMZNPCWTMVMLFQ-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3scnc3C3CCCC3)n2)C1 ZINC000273499603 1027460634 /nfs/dbraw/zinc/46/06/34/1027460634.db2.gz RMZNPCWTMVMLFQ-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO NC(=O)c1ccc(C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000128724588 1027473665 /nfs/dbraw/zinc/47/36/65/1027473665.db2.gz KJKRHTQVGWQGFC-UHFFFAOYSA-N 1 2 335.234 3.651 20 0 EHADLO NC(=O)c1ccc(C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000128724588 1027473678 /nfs/dbraw/zinc/47/36/78/1027473678.db2.gz KJKRHTQVGWQGFC-UHFFFAOYSA-N 1 2 335.234 3.651 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000273539649 1027484166 /nfs/dbraw/zinc/48/41/66/1027484166.db2.gz DULWQSIPDILJRA-NEPJUHHUSA-N 1 2 346.500 3.822 20 0 EHADLO CC[C@H]([NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12)c1nc(C)cs1 ZINC000273543388 1027486903 /nfs/dbraw/zinc/48/69/03/1027486903.db2.gz WBQPQEXNFWRVJC-RISCZKNCSA-N 1 2 328.441 3.640 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)c(OC2CCCC2)c1 ZINC000655719103 1027544641 /nfs/dbraw/zinc/54/46/41/1027544641.db2.gz QJBMJBLNEMZZLX-GOSISDBHSA-N 1 2 341.455 3.838 20 0 EHADLO C[N@H+](Cc1csc(Br)c1)Cc1cnc(C2CC2)nc1 ZINC000459321633 1027599537 /nfs/dbraw/zinc/59/95/37/1027599537.db2.gz GJXGWBXRJKAEEA-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO C[N@@H+](Cc1csc(Br)c1)Cc1cnc(C2CC2)nc1 ZINC000459321633 1027599547 /nfs/dbraw/zinc/59/95/47/1027599547.db2.gz GJXGWBXRJKAEEA-UHFFFAOYSA-N 1 2 338.274 3.810 20 0 EHADLO CC[C@H]1C[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCO1 ZINC000273756173 1027602292 /nfs/dbraw/zinc/60/22/92/1027602292.db2.gz NZADSORUDXYGFT-SJORKVTESA-N 1 2 338.411 3.654 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000501877986 1027625027 /nfs/dbraw/zinc/62/50/27/1027625027.db2.gz WIBDHPJSRWHUOM-GJZGRUSLSA-N 1 2 342.508 3.935 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000501877986 1027625033 /nfs/dbraw/zinc/62/50/33/1027625033.db2.gz WIBDHPJSRWHUOM-GJZGRUSLSA-N 1 2 342.508 3.935 20 0 EHADLO CCCCc1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1 ZINC001211899571 1027628886 /nfs/dbraw/zinc/62/88/86/1027628886.db2.gz CLRIJMUYXTWILY-UHFFFAOYSA-N 1 2 333.382 3.787 20 0 EHADLO C[NH2+]Cc1noc([C@H](C)Sc2ccnc3cc(Cl)ccc32)n1 ZINC000414643017 1027651241 /nfs/dbraw/zinc/65/12/41/1027651241.db2.gz MIEJFAGOKVGZNS-VIFPVBQESA-N 1 2 334.832 3.844 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2ccc3ccccc3c2)no1 ZINC001211899610 1027653201 /nfs/dbraw/zinc/65/32/01/1027653201.db2.gz FTLHEFQQUICFNU-UHFFFAOYSA-N 1 2 327.334 3.597 20 0 EHADLO Cc1cc(N2CC3(CCOCC3)[C@H]2c2ccco2)nc(C2CC2)[nH+]1 ZINC000664306504 1027663972 /nfs/dbraw/zinc/66/39/72/1027663972.db2.gz DJTCCBKCXMFXAR-QGZVFWFLSA-N 1 2 325.412 3.614 20 0 EHADLO CCOc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000130420718 1027669691 /nfs/dbraw/zinc/66/96/91/1027669691.db2.gz XGUYQBRBFCNGFV-OAHLLOKOSA-N 1 2 344.480 3.666 20 0 EHADLO CCCOc1cccc2c(NC[C@H]3CC(=O)N(CCC)C3)cc[nH+]c12 ZINC000420656881 1027674331 /nfs/dbraw/zinc/67/43/31/1027674331.db2.gz VNYNJWBERSZROF-OAHLLOKOSA-N 1 2 341.455 3.694 20 0 EHADLO Cc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)s2)cc(C)[nH+]1 ZINC000420697464 1027687751 /nfs/dbraw/zinc/68/77/51/1027687751.db2.gz JAIDFIDXTBTPGC-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130652904 1027688727 /nfs/dbraw/zinc/68/87/27/1027688727.db2.gz VSGDTEKCBLAGRO-IRXDYDNUSA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130652904 1027688732 /nfs/dbraw/zinc/68/87/32/1027688732.db2.gz VSGDTEKCBLAGRO-IRXDYDNUSA-N 1 2 343.471 3.604 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]Cc2cc(C)cc(C)c2)cs1)C1CC1 ZINC000657626286 1027691446 /nfs/dbraw/zinc/69/14/46/1027691446.db2.gz UQZKRVHXBKQZBY-UHFFFAOYSA-N 1 2 329.469 3.565 20 0 EHADLO Nc1cc(CNc2ccc3c(c2)[C@H](c2ccccc2)CC(=O)N3)cc[nH+]1 ZINC001167616795 1027692297 /nfs/dbraw/zinc/69/22/97/1027692297.db2.gz QCZNLWKCEBBWOK-KRWDZBQOSA-N 1 2 344.418 3.750 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc(C2CC2)[nH]n1 ZINC000277898382 1027694315 /nfs/dbraw/zinc/69/43/15/1027694315.db2.gz GARKIJAVVXUYQR-UHFFFAOYSA-N 1 2 347.422 3.739 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459335583 1027699540 /nfs/dbraw/zinc/69/95/40/1027699540.db2.gz AUHZHEMGRKYUNZ-QGZVFWFLSA-N 1 2 343.862 3.743 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459335583 1027699550 /nfs/dbraw/zinc/69/95/50/1027699550.db2.gz AUHZHEMGRKYUNZ-QGZVFWFLSA-N 1 2 343.862 3.743 20 0 EHADLO Nc1cc(CNc2nnc(-c3ccccc3)c3ccccc32)cc[nH+]1 ZINC001167617020 1027701576 /nfs/dbraw/zinc/70/15/76/1027701576.db2.gz JEOBIUBCPNSAJA-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(C)cc1Br ZINC000503284867 1027708266 /nfs/dbraw/zinc/70/82/66/1027708266.db2.gz RQWODYGKAOEEBQ-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cc(-c3ccccc3C)ccc2OC)CCO1 ZINC000459341269 1027708773 /nfs/dbraw/zinc/70/87/73/1027708773.db2.gz JNGKQPLUWCLSDG-LJQANCHMSA-N 1 2 341.451 3.518 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3C)ccc2OC)CCO1 ZINC000459341269 1027708788 /nfs/dbraw/zinc/70/87/88/1027708788.db2.gz JNGKQPLUWCLSDG-LJQANCHMSA-N 1 2 341.451 3.518 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C)c3nnc(CC)o3)CC2)cc1 ZINC000130923145 1027716261 /nfs/dbraw/zinc/71/62/61/1027716261.db2.gz IQAJBMBMLGQMTK-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)c3nnc(CC)o3)CC2)cc1 ZINC000130923145 1027716272 /nfs/dbraw/zinc/71/62/72/1027716272.db2.gz IQAJBMBMLGQMTK-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO CC[N@H+](Cc1ccnc(OC)c1)Cc1ccccc1Br ZINC000342864754 1027725330 /nfs/dbraw/zinc/72/53/30/1027725330.db2.gz QFWCYVQLRSJRJB-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccnc(OC)c1)Cc1ccccc1Br ZINC000342864754 1027725342 /nfs/dbraw/zinc/72/53/42/1027725342.db2.gz QFWCYVQLRSJRJB-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000131114938 1027738593 /nfs/dbraw/zinc/73/85/93/1027738593.db2.gz HKFOFTROQXPNLC-LJQANCHMSA-N 1 2 348.441 3.574 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2SCCc3ccccc32)cc(C)[nH+]1 ZINC000420798081 1027739738 /nfs/dbraw/zinc/73/97/38/1027739738.db2.gz HNVZIWGFTRRGRF-SFHVURJKSA-N 1 2 341.480 3.528 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)cc1 ZINC000131169838 1027743605 /nfs/dbraw/zinc/74/36/05/1027743605.db2.gz ZBOZQWDIOLYQBR-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC000420853285 1027798627 /nfs/dbraw/zinc/79/86/27/1027798627.db2.gz TXQBNSNJIURXPA-GOSISDBHSA-N 1 2 327.403 3.884 20 0 EHADLO CCC[C@H](C)C(=O)NCCNc1[nH+]cccc1OCc1ccccc1 ZINC000431490004 1027829812 /nfs/dbraw/zinc/82/98/12/1027829812.db2.gz JHUHXBGVOCMCKK-INIZCTEOSA-N 1 2 341.455 3.625 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H](O)C1CCCCCCC1 ZINC001625981265 1027848449 /nfs/dbraw/zinc/84/84/49/1027848449.db2.gz GMNORNFURXZJQR-QGZVFWFLSA-N 1 2 327.428 3.737 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000425223441 1027905511 /nfs/dbraw/zinc/90/55/11/1027905511.db2.gz KCEXJDQXTHACER-HNNXBMFYSA-N 1 2 349.356 3.653 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503582716 1027941538 /nfs/dbraw/zinc/94/15/38/1027941538.db2.gz FVHMBQOHWUCMHB-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503582716 1027941553 /nfs/dbraw/zinc/94/15/53/1027941553.db2.gz FVHMBQOHWUCMHB-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000132630759 1027946238 /nfs/dbraw/zinc/94/62/38/1027946238.db2.gz YVIUENKZBOUJQJ-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1C(F)(F)F ZINC000132647309 1027950760 /nfs/dbraw/zinc/95/07/60/1027950760.db2.gz ZTPLPQHJKBQCFG-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1C(F)(F)F ZINC000132647309 1027950782 /nfs/dbraw/zinc/95/07/82/1027950782.db2.gz ZTPLPQHJKBQCFG-CQSZACIVSA-N 1 2 327.325 3.915 20 0 EHADLO CC[N@H+](CCOc1ccccc1C)Cc1nnc(C2CC2)n1C1CC1 ZINC000420974534 1027956796 /nfs/dbraw/zinc/95/67/96/1027956796.db2.gz OSTBKIUSQLUNFU-UHFFFAOYSA-N 1 2 340.471 3.700 20 0 EHADLO CC[N@@H+](CCOc1ccccc1C)Cc1nnc(C2CC2)n1C1CC1 ZINC000420974534 1027956803 /nfs/dbraw/zinc/95/68/03/1027956803.db2.gz OSTBKIUSQLUNFU-UHFFFAOYSA-N 1 2 340.471 3.700 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000133027132 1027993525 /nfs/dbraw/zinc/99/35/25/1027993525.db2.gz KDJGLUAJPJGHJW-HZPDHXFCSA-N 1 2 339.345 3.893 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000533515180 1027999031 /nfs/dbraw/zinc/99/90/31/1027999031.db2.gz WZKHVECFEPWNQA-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000533515180 1027999043 /nfs/dbraw/zinc/99/90/43/1027999043.db2.gz WZKHVECFEPWNQA-GOSISDBHSA-N 1 2 342.414 3.746 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(C)n1C ZINC000533530586 1028022803 /nfs/dbraw/zinc/02/28/03/1028022803.db2.gz ZRJUUVVIDKLUAT-UHFFFAOYSA-N 1 2 339.483 3.710 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533529797 1028024737 /nfs/dbraw/zinc/02/47/37/1028024737.db2.gz PMQIALRJJAPXTL-OAHLLOKOSA-N 1 2 346.430 3.931 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533529797 1028024753 /nfs/dbraw/zinc/02/47/53/1028024753.db2.gz PMQIALRJJAPXTL-OAHLLOKOSA-N 1 2 346.430 3.931 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OCC3CC3)cc2)cc(C)[nH+]1 ZINC000421051625 1028037443 /nfs/dbraw/zinc/03/74/43/1028037443.db2.gz DCBZNKSDXFMYCZ-UHFFFAOYSA-N 1 2 325.412 3.809 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cc(C)[nH+]1 ZINC000421065947 1028048730 /nfs/dbraw/zinc/04/87/30/1028048730.db2.gz NDDRXFJZIYXHFH-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152485853 1028084766 /nfs/dbraw/zinc/08/47/66/1028084766.db2.gz QJCDIXCAGFHYTP-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152485853 1028084782 /nfs/dbraw/zinc/08/47/82/1028084782.db2.gz QJCDIXCAGFHYTP-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cc(N2CC3(CCC3)[C@@H]2C2CCOCC2)nc(C2CCC2)[nH+]1 ZINC000894277558 1028108800 /nfs/dbraw/zinc/10/88/00/1028108800.db2.gz LKCLEIBESTYOQD-SFHVURJKSA-N 1 2 327.472 3.838 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000444646446 1028109068 /nfs/dbraw/zinc/10/90/68/1028109068.db2.gz ZFKZPMDFICGHPS-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000444646446 1028109077 /nfs/dbraw/zinc/10/90/77/1028109077.db2.gz ZFKZPMDFICGHPS-AWEZNQCLSA-N 1 2 337.510 3.670 20 0 EHADLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413895 1125244446 /nfs/dbraw/zinc/24/44/46/1125244446.db2.gz LMENNLXEMKETCD-NSHDSACASA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413895 1125244449 /nfs/dbraw/zinc/24/44/49/1125244449.db2.gz LMENNLXEMKETCD-NSHDSACASA-N 1 2 338.300 3.639 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2nncn2-c2ccccc2)CC2CC2)cc1 ZINC000444654322 1028117997 /nfs/dbraw/zinc/11/79/97/1028117997.db2.gz XCUBOEAREDPJAG-UHFFFAOYSA-N 1 2 336.414 3.819 20 0 EHADLO Fc1ccc(C[N@H+](Cc2nncn2-c2ccccc2)CC2CC2)cc1 ZINC000444654322 1028118002 /nfs/dbraw/zinc/11/80/02/1028118002.db2.gz XCUBOEAREDPJAG-UHFFFAOYSA-N 1 2 336.414 3.819 20 0 EHADLO Cc1csc(-c2cccc(Nc3ncnc4c3C[N@H+](C)CC4)c2)n1 ZINC000523298635 1028120383 /nfs/dbraw/zinc/12/03/83/1028120383.db2.gz VHCHORMNOBJCDO-UHFFFAOYSA-N 1 2 337.452 3.640 20 0 EHADLO Cc1csc(-c2cccc(Nc3ncnc4c3C[N@@H+](C)CC4)c2)n1 ZINC000523298635 1028120392 /nfs/dbraw/zinc/12/03/92/1028120392.db2.gz VHCHORMNOBJCDO-UHFFFAOYSA-N 1 2 337.452 3.640 20 0 EHADLO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502360511 1028143345 /nfs/dbraw/zinc/14/33/45/1028143345.db2.gz QFTNVYMQZGARSY-HXUWFJFHSA-N 1 2 339.483 3.888 20 0 EHADLO CC(C)=CC[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502360511 1028143352 /nfs/dbraw/zinc/14/33/52/1028143352.db2.gz QFTNVYMQZGARSY-HXUWFJFHSA-N 1 2 339.483 3.888 20 0 EHADLO COCc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)o1 ZINC000161566378 1028175170 /nfs/dbraw/zinc/17/51/70/1028175170.db2.gz RJKQRGIWDXDLGZ-INIZCTEOSA-N 1 2 342.443 3.548 20 0 EHADLO COCc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)o1 ZINC000161566378 1028175179 /nfs/dbraw/zinc/17/51/79/1028175179.db2.gz RJKQRGIWDXDLGZ-INIZCTEOSA-N 1 2 342.443 3.548 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(F)c(C)c3)o2)cc1 ZINC000444730191 1028196128 /nfs/dbraw/zinc/19/61/28/1028196128.db2.gz DPZNNXCCZRZNIV-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(F)c(C)c3)o2)cc1 ZINC000444730191 1028196135 /nfs/dbraw/zinc/19/61/35/1028196135.db2.gz DPZNNXCCZRZNIV-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000444738198 1028204667 /nfs/dbraw/zinc/20/46/67/1028204667.db2.gz RLEHLLGMGBEGAK-MRXNPFEDSA-N 1 2 328.431 3.613 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000444738198 1028204684 /nfs/dbraw/zinc/20/46/84/1028204684.db2.gz RLEHLLGMGBEGAK-MRXNPFEDSA-N 1 2 328.431 3.613 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000135602227 1028206778 /nfs/dbraw/zinc/20/67/78/1028206778.db2.gz IGSYPHLZPQKQPZ-AWEZNQCLSA-N 1 2 345.397 3.674 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000135602227 1028206792 /nfs/dbraw/zinc/20/67/92/1028206792.db2.gz IGSYPHLZPQKQPZ-AWEZNQCLSA-N 1 2 345.397 3.674 20 0 EHADLO CCc1noc(C)c1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421231302 1028214455 /nfs/dbraw/zinc/21/44/55/1028214455.db2.gz WYFCFUJIBBPGCN-UHFFFAOYSA-N 1 2 346.496 3.811 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000444743521 1028229877 /nfs/dbraw/zinc/22/98/77/1028229877.db2.gz ZKABTUWIURYOBS-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)cc1 ZINC000444743521 1028229881 /nfs/dbraw/zinc/22/98/81/1028229881.db2.gz ZKABTUWIURYOBS-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c1C ZINC000444742564 1028230164 /nfs/dbraw/zinc/23/01/64/1028230164.db2.gz JHCALITWFJLMLM-UHFFFAOYSA-N 1 2 346.446 3.514 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c1C ZINC000444742564 1028230181 /nfs/dbraw/zinc/23/01/81/1028230181.db2.gz JHCALITWFJLMLM-UHFFFAOYSA-N 1 2 346.446 3.514 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)oc1C ZINC000136186070 1028239692 /nfs/dbraw/zinc/23/96/92/1028239692.db2.gz MHVSMGXNILUBBJ-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO c1nc2c([nH]1)C[N@H+](CCOC(c1ccccc1)c1ccccc1)CC2 ZINC000647932936 1028241008 /nfs/dbraw/zinc/24/10/08/1028241008.db2.gz VWJAMIBPRQCMKO-UHFFFAOYSA-N 1 2 333.435 3.574 20 0 EHADLO c1nc2c([nH]1)C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CC2 ZINC000647932936 1028241024 /nfs/dbraw/zinc/24/10/24/1028241024.db2.gz VWJAMIBPRQCMKO-UHFFFAOYSA-N 1 2 333.435 3.574 20 0 EHADLO Cc1ccn(-c2ccccc2CNC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000455480010 1028243997 /nfs/dbraw/zinc/24/39/97/1028243997.db2.gz GSYSEFVZYFMLAY-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO COc1cc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1C ZINC000455480079 1028245512 /nfs/dbraw/zinc/24/55/12/1028245512.db2.gz HEKZJLYVXTYCDF-UHFFFAOYSA-N 1 2 327.428 3.688 20 0 EHADLO Cc1cc(C)c(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(C)[nH+]1 ZINC000455481806 1028247201 /nfs/dbraw/zinc/24/72/01/1028247201.db2.gz HUAUMQMVVLDGQQ-KRWDZBQOSA-N 1 2 341.411 3.819 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2(C3CCC3)CCC2)c1)[NH+]1CCOCC1 ZINC000455483889 1028249886 /nfs/dbraw/zinc/24/98/86/1028249886.db2.gz QQHWAXDZFABOCR-INIZCTEOSA-N 1 2 342.483 3.989 20 0 EHADLO COc1cc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc(OC)c1OC ZINC000423211876 1028255787 /nfs/dbraw/zinc/25/57/87/1028255787.db2.gz HOEYOQLBAZUOLX-LBPRGKRZSA-N 1 2 328.412 3.854 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCOc2ccccc2C)c(C)[nH+]1 ZINC000455487555 1028257778 /nfs/dbraw/zinc/25/77/78/1028257778.db2.gz SUDWGSCDURHLLY-UHFFFAOYSA-N 1 2 327.428 3.906 20 0 EHADLO CCOc1ccc2c(c1)CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C2 ZINC000455502210 1028277280 /nfs/dbraw/zinc/27/72/80/1028277280.db2.gz UWXXFYVCPPPBFK-UHFFFAOYSA-N 1 2 339.439 3.996 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000078873179 1028278543 /nfs/dbraw/zinc/27/85/43/1028278543.db2.gz XJJXRONKTXZNOE-FQEVSTJZSA-N 1 2 336.435 3.973 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000078873179 1028278564 /nfs/dbraw/zinc/27/85/64/1028278564.db2.gz XJJXRONKTXZNOE-FQEVSTJZSA-N 1 2 336.435 3.973 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000455505517 1028281222 /nfs/dbraw/zinc/28/12/22/1028281222.db2.gz XILPDYCFCMBGTD-HNNXBMFYSA-N 1 2 349.475 3.885 20 0 EHADLO COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455510952 1028288848 /nfs/dbraw/zinc/28/88/48/1028288848.db2.gz HLZHSIKSZLNSNR-GOSISDBHSA-N 1 2 341.455 3.728 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1cccc(CSC2CCCC2)c1)c1cscn1 ZINC000423228586 1028293344 /nfs/dbraw/zinc/29/33/44/1028293344.db2.gz DFQMAVQZWSYPDX-MRXNPFEDSA-N 1 2 347.509 3.957 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC000455535776 1028314596 /nfs/dbraw/zinc/31/45/96/1028314596.db2.gz BFXAVBJWPQXJDC-DZGCQCFKSA-N 1 2 343.393 3.866 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(Cl)ccc1F ZINC000056554374 1028331426 /nfs/dbraw/zinc/33/14/26/1028331426.db2.gz PBDYGYWYFUWBAV-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000056895079 1028346166 /nfs/dbraw/zinc/34/61/66/1028346166.db2.gz IFCRKDYCHMFKAI-FQEVSTJZSA-N 1 2 346.434 3.701 20 0 EHADLO c1cn2cc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc2s1 ZINC000066899002 1028347880 /nfs/dbraw/zinc/34/78/80/1028347880.db2.gz BDJSIKPHSJQFGI-OAHLLOKOSA-N 1 2 341.436 3.504 20 0 EHADLO c1cn2cc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc2s1 ZINC000066899002 1028347897 /nfs/dbraw/zinc/34/78/97/1028347897.db2.gz BDJSIKPHSJQFGI-OAHLLOKOSA-N 1 2 341.436 3.504 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H](C)CC)CC2)s1 ZINC000523472461 1028353054 /nfs/dbraw/zinc/35/30/54/1028353054.db2.gz RXGHCHUAPHSEFS-CABCVRRESA-N 1 2 337.533 3.572 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2c(F)c(F)c(F)c(F)c2F)c(C)[nH+]1 ZINC000841721284 1028378846 /nfs/dbraw/zinc/37/88/46/1028378846.db2.gz QDPNLXZSOZBZDK-HSZRJFAPSA-N 1 2 349.324 3.843 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000421411828 1028395688 /nfs/dbraw/zinc/39/56/88/1028395688.db2.gz RHODTSNLQOUGAV-UHFFFAOYSA-N 1 2 339.439 3.536 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000421411828 1028395707 /nfs/dbraw/zinc/39/57/07/1028395707.db2.gz RHODTSNLQOUGAV-UHFFFAOYSA-N 1 2 339.439 3.536 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccc(F)c(C)c3)ccc2[nH+]1 ZINC000444896886 1028398701 /nfs/dbraw/zinc/39/87/01/1028398701.db2.gz DZRNDLFXDPGCQD-UHFFFAOYSA-N 1 2 326.375 3.754 20 0 EHADLO COCc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)no1 ZINC000414519101 1028428710 /nfs/dbraw/zinc/42/87/10/1028428710.db2.gz BXJDAKKZIOBACB-LJQANCHMSA-N 1 2 344.455 3.595 20 0 EHADLO CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455553468 1028434961 /nfs/dbraw/zinc/43/49/61/1028434961.db2.gz CLFKMOKBMVSZQU-LJQANCHMSA-N 1 2 341.455 4.000 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455561054 1028458337 /nfs/dbraw/zinc/45/83/37/1028458337.db2.gz QHURGMZPTDRTHL-QGZVFWFLSA-N 1 2 325.456 3.779 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000455555243 1028470922 /nfs/dbraw/zinc/47/09/22/1028470922.db2.gz FBFQGRPYSDZYOU-NRFANRHFSA-N 1 2 337.467 3.880 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000071478577 1028478771 /nfs/dbraw/zinc/47/87/71/1028478771.db2.gz XJJQDIKDHVIMTR-UHFFFAOYSA-N 1 2 341.798 3.898 20 0 EHADLO Cn1c[nH+]cc1CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000343381860 1028478902 /nfs/dbraw/zinc/47/89/02/1028478902.db2.gz DURDSMNEHBUTLC-LBPRGKRZSA-N 1 2 337.267 3.832 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421497374 1028479549 /nfs/dbraw/zinc/47/95/49/1028479549.db2.gz HIOZRGTUQURPAR-GUDVDZBRSA-N 1 2 341.499 3.583 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2cccc3cccnc32)no1)c1ccccc1 ZINC000504236655 1028516494 /nfs/dbraw/zinc/51/64/94/1028516494.db2.gz UDIOTBHEMKAXPD-FQEVSTJZSA-N 1 2 344.418 3.860 20 0 EHADLO Cc1ccc(-c2cnc(CCC(=O)NCc3cc(C)[nH+]c(C)c3)o2)cc1 ZINC000421553417 1028552304 /nfs/dbraw/zinc/55/23/04/1028552304.db2.gz DRMZOUGHDWRGGN-UHFFFAOYSA-N 1 2 349.434 3.911 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)[nH+]c12 ZINC000523700856 1028554292 /nfs/dbraw/zinc/55/42/92/1028554292.db2.gz XGVBQLFDNLJSGM-QGTPRVQTSA-N 1 2 325.456 3.612 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(F)c(Cl)c2)c[nH+]1 ZINC000455570757 1028562122 /nfs/dbraw/zinc/56/21/22/1028562122.db2.gz MMPVQIIJMXSEQP-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO Cc1cc(CNC(=O)C2(CCOCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000421577187 1028572529 /nfs/dbraw/zinc/57/25/29/1028572529.db2.gz OENYSVDJORCGFX-UHFFFAOYSA-N 1 2 338.451 3.702 20 0 EHADLO COc1ccc(SCCCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421578335 1028572786 /nfs/dbraw/zinc/57/27/86/1028572786.db2.gz QQIYGWNJORDWMH-UHFFFAOYSA-N 1 2 344.480 3.896 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)cc(C)[nH+]1 ZINC000421577987 1028573567 /nfs/dbraw/zinc/57/35/67/1028573567.db2.gz QGCCVKKKVTYXCK-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO O[C@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1F ZINC000195069695 1028575260 /nfs/dbraw/zinc/57/52/60/1028575260.db2.gz XNMQJQZVIIRMNA-SJORKVTESA-N 1 2 346.402 3.834 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)CCCC(C)(C)C)c2)CC1 ZINC000504335687 1028576227 /nfs/dbraw/zinc/57/62/27/1028576227.db2.gz YTGXBISCEZBYMQ-UHFFFAOYSA-N 1 2 331.504 3.589 20 0 EHADLO COc1cc(Cl)c(Cl)cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581888 1028578154 /nfs/dbraw/zinc/57/81/54/1028578154.db2.gz ZOASRPHLYOTGNW-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO Oc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(F)c1F ZINC001212002975 1028640656 /nfs/dbraw/zinc/64/06/56/1028640656.db2.gz LPXRFYHBZLJWJC-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2nc(N)c3ccccc3[nH+]2)cc1F ZINC000664367880 1028650458 /nfs/dbraw/zinc/65/04/58/1028650458.db2.gz MXWSMAGPECNFIU-INIZCTEOSA-N 1 2 338.386 3.701 20 0 EHADLO CC(C)c1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c2ccccc2n1 ZINC000153728903 1028651965 /nfs/dbraw/zinc/65/19/65/1028651965.db2.gz RPNPGXZKXPGLKW-HNNXBMFYSA-N 1 2 336.439 3.621 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246663121 1028675736 /nfs/dbraw/zinc/67/57/36/1028675736.db2.gz YAPMWQUJIUPPQT-SJKOYZFVSA-N 1 2 349.452 3.652 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246663121 1028675744 /nfs/dbraw/zinc/67/57/44/1028675744.db2.gz YAPMWQUJIUPPQT-SJKOYZFVSA-N 1 2 349.452 3.652 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536637850 1028683119 /nfs/dbraw/zinc/68/31/19/1028683119.db2.gz WWMNWMGAZIFZSW-GFCCVEGCSA-N 1 2 346.356 3.878 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536637850 1028683132 /nfs/dbraw/zinc/68/31/32/1028683132.db2.gz WWMNWMGAZIFZSW-GFCCVEGCSA-N 1 2 346.356 3.878 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ccncc2Cl)C[C@H]2CCCO2)c1 ZINC000075648545 1028733602 /nfs/dbraw/zinc/73/36/02/1028733602.db2.gz HCPLBFRYMJWKAX-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2ccncc2Cl)C[C@H]2CCCO2)c1 ZINC000075648545 1028733619 /nfs/dbraw/zinc/73/36/19/1028733619.db2.gz HCPLBFRYMJWKAX-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454321021 1028738996 /nfs/dbraw/zinc/73/89/96/1028738996.db2.gz CCOLTGKRAFRKAD-MOPGFXCFSA-N 1 2 340.471 3.557 20 0 EHADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000454339232 1028768485 /nfs/dbraw/zinc/76/84/85/1028768485.db2.gz ORTWJQTYBWJWIX-YESZJQIVSA-N 1 2 344.503 3.564 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278071950 1028773221 /nfs/dbraw/zinc/77/32/21/1028773221.db2.gz VYXMXJQUKRKMQP-RDJZCZTQSA-N 1 2 349.434 3.736 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000245544567 1028796595 /nfs/dbraw/zinc/79/65/95/1028796595.db2.gz LGGRJCZRKAPVJW-ZAMGYDSWSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000245544567 1028796608 /nfs/dbraw/zinc/79/66/08/1028796608.db2.gz LGGRJCZRKAPVJW-ZAMGYDSWSA-N 1 2 328.437 3.758 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@H](C)c1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000245543904 1028797316 /nfs/dbraw/zinc/79/73/16/1028797316.db2.gz RRDLPVLAXQTCIG-JKSUJKDBSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@H](C)c1ccccn1)[C@@H](C)c1ccc(F)cc1 ZINC000245543904 1028797323 /nfs/dbraw/zinc/79/73/23/1028797323.db2.gz RRDLPVLAXQTCIG-JKSUJKDBSA-N 1 2 343.446 3.823 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000075842737 1028798555 /nfs/dbraw/zinc/79/85/55/1028798555.db2.gz CJZDOYDELVDQMZ-XJKCOSOUSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000075842737 1028798566 /nfs/dbraw/zinc/79/85/66/1028798566.db2.gz CJZDOYDELVDQMZ-XJKCOSOUSA-N 1 2 333.407 3.889 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000248198814 1028860609 /nfs/dbraw/zinc/86/06/09/1028860609.db2.gz XXSNSQITXYBDNH-FRRDWIJNSA-N 1 2 327.519 3.744 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000248198814 1028860629 /nfs/dbraw/zinc/86/06/29/1028860629.db2.gz XXSNSQITXYBDNH-FRRDWIJNSA-N 1 2 327.519 3.744 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000454398347 1028880443 /nfs/dbraw/zinc/88/04/43/1028880443.db2.gz ZVAQOYRVMWQCMS-JKSUJKDBSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000248584894 1028923679 /nfs/dbraw/zinc/92/36/79/1028923679.db2.gz JLMPJGOQSAVJIX-OWCLPIDISA-N 1 2 341.455 3.782 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)o1 ZINC000091869382 1028933636 /nfs/dbraw/zinc/93/36/36/1028933636.db2.gz ZUFHPBHEJKXPFK-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421925701 1028941847 /nfs/dbraw/zinc/94/18/47/1028941847.db2.gz WUQHCZOTXRFMRR-LBPRGKRZSA-N 1 2 344.842 3.877 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248901624 1028964409 /nfs/dbraw/zinc/96/44/09/1028964409.db2.gz VLHVYSKPUCYELW-DNVCBOLYSA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248901624 1028964428 /nfs/dbraw/zinc/96/44/28/1028964428.db2.gz VLHVYSKPUCYELW-DNVCBOLYSA-N 1 2 343.446 3.639 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(Cl)c1 ZINC000424319216 1028965615 /nfs/dbraw/zinc/96/56/15/1028965615.db2.gz SCFVTSGUMOAZJP-RYUDHWBXSA-N 1 2 334.851 3.688 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)s1 ZINC000424326528 1028974139 /nfs/dbraw/zinc/97/41/39/1028974139.db2.gz MBDIHJPVRPJZSI-RKDXNWHRSA-N 1 2 326.368 3.620 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)s1 ZINC000123635418 1028980291 /nfs/dbraw/zinc/98/02/91/1028980291.db2.gz RUYUJJFGHQGIJE-JTQLQIEISA-N 1 2 347.875 3.845 20 0 EHADLO COc1ccc(CC[N@@H+](Cc2cn[nH]c2C)Cc2ccccc2)cc1 ZINC000513762314 1028985401 /nfs/dbraw/zinc/98/54/01/1028985401.db2.gz QIYPQESAJDJSQC-UHFFFAOYSA-N 1 2 335.451 3.972 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)n1 ZINC000424304092 1028986878 /nfs/dbraw/zinc/98/68/78/1028986878.db2.gz ANTPZLLZCQLYSP-ZDUSSCGKSA-N 1 2 335.860 3.855 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1 ZINC000245688159 1029006596 /nfs/dbraw/zinc/00/65/96/1029006596.db2.gz AXVNTUOQDLQAKP-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1 ZINC000245688159 1029006610 /nfs/dbraw/zinc/00/66/10/1029006610.db2.gz AXVNTUOQDLQAKP-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)ccn12 ZINC000583152590 1029013118 /nfs/dbraw/zinc/01/31/18/1029013118.db2.gz YIKIFCGJEPJIEV-SFHVURJKSA-N 1 2 337.398 3.629 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCOc3ccc(F)cc32)c[nH+]1 ZINC000454531833 1029039274 /nfs/dbraw/zinc/03/92/74/1029039274.db2.gz ZAANBYLXASGUBE-KRWDZBQOSA-N 1 2 343.402 3.551 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCN(C)c2ccccc2)cs1 ZINC000076728701 1029040653 /nfs/dbraw/zinc/04/06/53/1029040653.db2.gz PNFDAKXCYGYJIM-HNNXBMFYSA-N 1 2 333.501 3.809 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCN(C)c2ccccc2)cs1 ZINC000076728701 1029040671 /nfs/dbraw/zinc/04/06/71/1029040671.db2.gz PNFDAKXCYGYJIM-HNNXBMFYSA-N 1 2 333.501 3.809 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c[nH+]1 ZINC000454572444 1029052141 /nfs/dbraw/zinc/05/21/41/1029052141.db2.gz HGMLCDWYVKRTSV-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3cc(Br)ccc32)n1 ZINC000393323339 1029061179 /nfs/dbraw/zinc/06/11/79/1029061179.db2.gz RIGKFVMYJGIMIT-ZDUSSCGKSA-N 1 2 340.652 3.613 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c[nH+]1 ZINC000454586887 1029103839 /nfs/dbraw/zinc/10/38/39/1029103839.db2.gz HKEHOMUZNGKZEM-UHFFFAOYSA-N 1 2 327.384 3.527 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)[C@H](C)C2 ZINC000666789639 1029120590 /nfs/dbraw/zinc/12/05/90/1029120590.db2.gz OOSUETVMLRTMDP-KYJSFNMBSA-N 1 2 338.455 3.541 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271706631 1029129819 /nfs/dbraw/zinc/12/98/19/1029129819.db2.gz FRVWFGWWLSLGKE-INIZCTEOSA-N 1 2 325.456 3.775 20 0 EHADLO Cc1cc(C)nc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000356966073 1029133818 /nfs/dbraw/zinc/13/38/18/1029133818.db2.gz RJCWEDHGOPIOFW-UHFFFAOYSA-N 1 2 331.379 3.660 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271714510 1029136884 /nfs/dbraw/zinc/13/68/84/1029136884.db2.gz HYDOQOIQEAOAFM-UHFFFAOYSA-N 1 2 325.416 3.761 20 0 EHADLO C[N@H+](Cc1coc(-c2cccs2)n1)Cc1ccc2c(c1)OCCO2 ZINC000248073864 1029149988 /nfs/dbraw/zinc/14/99/88/1029149988.db2.gz SZEODIUIIXSGGL-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccs2)n1)Cc1ccc2c(c1)OCCO2 ZINC000248073864 1029150001 /nfs/dbraw/zinc/15/00/01/1029150001.db2.gz SZEODIUIIXSGGL-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000271789265 1029172029 /nfs/dbraw/zinc/17/20/29/1029172029.db2.gz QGRUZHDISVHXSH-GFCCVEGCSA-N 1 2 325.412 3.751 20 0 EHADLO C[C@@H](C(=O)OCCCCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179242296 1029180155 /nfs/dbraw/zinc/18/01/55/1029180155.db2.gz RHBOIPHPGPFBTG-ZDUSSCGKSA-N 1 2 329.362 3.709 20 0 EHADLO C[C@@H](C(=O)OCCCCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179242296 1029180164 /nfs/dbraw/zinc/18/01/64/1029180164.db2.gz RHBOIPHPGPFBTG-ZDUSSCGKSA-N 1 2 329.362 3.709 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)no2)cc1 ZINC000445883337 1029191546 /nfs/dbraw/zinc/19/15/46/1029191546.db2.gz DAYRMTIDRULDRS-ZDUSSCGKSA-N 1 2 343.349 3.812 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000533012346 1029195107 /nfs/dbraw/zinc/19/51/07/1029195107.db2.gz CSBSEGBFALOANE-SFHVURJKSA-N 1 2 338.480 3.984 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000533012346 1029195115 /nfs/dbraw/zinc/19/51/15/1029195115.db2.gz CSBSEGBFALOANE-SFHVURJKSA-N 1 2 338.480 3.984 20 0 EHADLO CCC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000454737605 1029252348 /nfs/dbraw/zinc/25/23/48/1029252348.db2.gz KOKBYGZZUDXOQO-MRXNPFEDSA-N 1 2 345.487 3.924 20 0 EHADLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)cn1 ZINC000648554969 1029261331 /nfs/dbraw/zinc/26/13/31/1029261331.db2.gz CWXIYCAUACMLNT-OAHLLOKOSA-N 1 2 348.859 3.505 20 0 EHADLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)cn1 ZINC000648554969 1029261352 /nfs/dbraw/zinc/26/13/52/1029261352.db2.gz CWXIYCAUACMLNT-OAHLLOKOSA-N 1 2 348.859 3.505 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000424714691 1029266458 /nfs/dbraw/zinc/26/64/58/1029266458.db2.gz DEDDZDAHTJLZJF-PXNSSMCTSA-N 1 2 338.451 3.639 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CCCCC2)c(C)c1 ZINC000533075220 1029280052 /nfs/dbraw/zinc/28/00/52/1029280052.db2.gz GQWBROKFXYMCIA-IBGZPJMESA-N 1 2 340.471 3.873 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCCCC2)c(C)c1 ZINC000533083870 1029293579 /nfs/dbraw/zinc/29/35/79/1029293579.db2.gz IILQPEUGAAOHPG-IBGZPJMESA-N 1 2 340.471 3.827 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000154766399 1029309953 /nfs/dbraw/zinc/30/99/53/1029309953.db2.gz ZTXDIVUYGQZEMK-KRWDZBQOSA-N 1 2 344.503 3.518 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431526459 1029327821 /nfs/dbraw/zinc/32/78/21/1029327821.db2.gz ZRNZXILMGILLGE-QGZVFWFLSA-N 1 2 327.472 3.805 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc3occc3c2)no1 ZINC001211571119 1029355730 /nfs/dbraw/zinc/35/57/30/1029355730.db2.gz LFSICYDTKGWCMB-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc3occc3c2)no1 ZINC001211571119 1029355742 /nfs/dbraw/zinc/35/57/42/1029355742.db2.gz LFSICYDTKGWCMB-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1O ZINC000446072117 1029388170 /nfs/dbraw/zinc/38/81/70/1029388170.db2.gz SQNBLMKHPLTRST-KRWDZBQOSA-N 1 2 330.497 3.521 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1O ZINC000446072117 1029388185 /nfs/dbraw/zinc/38/81/85/1029388185.db2.gz SQNBLMKHPLTRST-KRWDZBQOSA-N 1 2 330.497 3.521 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1O ZINC000272268835 1029389483 /nfs/dbraw/zinc/38/94/83/1029389483.db2.gz AUUBXZNBFCGFDJ-IUODEOHRSA-N 1 2 337.414 3.660 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1O ZINC000272268835 1029389491 /nfs/dbraw/zinc/38/94/91/1029389491.db2.gz AUUBXZNBFCGFDJ-IUODEOHRSA-N 1 2 337.414 3.660 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(Cl)ccc2N(C)C)c[nH+]1 ZINC000454847931 1029391741 /nfs/dbraw/zinc/39/17/41/1029391741.db2.gz YOIHWUVBYRWLIQ-UHFFFAOYSA-N 1 2 332.835 3.740 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000054514182 1029395722 /nfs/dbraw/zinc/39/57/22/1029395722.db2.gz RIWJHMRHZKCUNM-UHFFFAOYSA-N 1 2 335.451 3.999 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000054514182 1029395737 /nfs/dbraw/zinc/39/57/37/1029395737.db2.gz RIWJHMRHZKCUNM-UHFFFAOYSA-N 1 2 335.451 3.999 20 0 EHADLO C[N@H+](Cc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccccc1 ZINC000505256238 1029412381 /nfs/dbraw/zinc/41/23/81/1029412381.db2.gz YZCWWSKZEOIDRJ-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccccc1 ZINC000505256238 1029412396 /nfs/dbraw/zinc/41/23/96/1029412396.db2.gz YZCWWSKZEOIDRJ-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000150855842 1029442147 /nfs/dbraw/zinc/44/21/47/1029442147.db2.gz KZWXNSGSGSSULZ-ZIAGYGMSSA-N 1 2 340.402 3.827 20 0 EHADLO C[C@@](O)(C[NH2+][C@@H](CCc1ccccc1)C(F)F)c1ccsc1 ZINC000272459521 1029467800 /nfs/dbraw/zinc/46/78/00/1029467800.db2.gz GYNAWQNBKJIIQL-DOTOQJQBSA-N 1 2 325.424 3.812 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H](CCOC)c1ccco1)c1ccccc1 ZINC000272477752 1029475219 /nfs/dbraw/zinc/47/52/19/1029475219.db2.gz QIZGKDRRCZSGCZ-IEBWSBKVSA-N 1 2 344.455 3.557 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609115 1029532929 /nfs/dbraw/zinc/53/29/29/1029532929.db2.gz QPXZWHRALRAAEM-DZGCQCFKSA-N 1 2 344.484 3.862 20 0 EHADLO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609115 1029532937 /nfs/dbraw/zinc/53/29/37/1029532937.db2.gz QPXZWHRALRAAEM-DZGCQCFKSA-N 1 2 344.484 3.862 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1(O)CCCCC1 ZINC000278189203 1029588759 /nfs/dbraw/zinc/58/87/59/1029588759.db2.gz RLMJIZAEUHPEMW-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000536645365 1029593559 /nfs/dbraw/zinc/59/35/59/1029593559.db2.gz PCTXRXDPAODDMZ-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000536645365 1029593563 /nfs/dbraw/zinc/59/35/63/1029593563.db2.gz PCTXRXDPAODDMZ-ZDUSSCGKSA-N 1 2 337.769 3.892 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CCC2 ZINC000583331251 1029662914 /nfs/dbraw/zinc/66/29/14/1029662914.db2.gz XPCJKQAAKLIIKI-IFXJQAMLSA-N 1 2 325.456 3.906 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CCC2 ZINC000583331251 1029662919 /nfs/dbraw/zinc/66/29/19/1029662919.db2.gz XPCJKQAAKLIIKI-IFXJQAMLSA-N 1 2 325.456 3.906 20 0 EHADLO Cc1ccc(C2=CC[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)cc1 ZINC000052281949 1029666967 /nfs/dbraw/zinc/66/69/67/1029666967.db2.gz VHTWUQURTHWINQ-KRWDZBQOSA-N 1 2 345.450 3.821 20 0 EHADLO Cc1ccc(C2=CC[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)cc1 ZINC000052281949 1029666969 /nfs/dbraw/zinc/66/69/69/1029666969.db2.gz VHTWUQURTHWINQ-KRWDZBQOSA-N 1 2 345.450 3.821 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000525051456 1029669432 /nfs/dbraw/zinc/66/94/32/1029669432.db2.gz IAJPVPXGPNDJRM-JFIYKMOQSA-N 1 2 330.472 3.845 20 0 EHADLO O=C(NCc1ccccc1OCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000155887935 1029680794 /nfs/dbraw/zinc/68/07/94/1029680794.db2.gz WATVYIVUNCYDDN-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO CCC[N@H+](Cc1noc(CC)n1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126338 1029697761 /nfs/dbraw/zinc/69/77/61/1029697761.db2.gz XLYSGSULLIPNHZ-HOTGVXAUSA-N 1 2 335.492 3.972 20 0 EHADLO CCC[N@@H+](Cc1noc(CC)n1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126338 1029697766 /nfs/dbraw/zinc/69/77/66/1029697766.db2.gz XLYSGSULLIPNHZ-HOTGVXAUSA-N 1 2 335.492 3.972 20 0 EHADLO CC(C)COc1ncccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000343194941 1029705250 /nfs/dbraw/zinc/70/52/50/1029705250.db2.gz DQMPWWIGGUECKY-UHFFFAOYSA-N 1 2 336.395 3.554 20 0 EHADLO CCCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(OC)cc1 ZINC000583383919 1029739481 /nfs/dbraw/zinc/73/94/81/1029739481.db2.gz YJSAGHCUHOSLGA-APWZRJJASA-N 1 2 341.455 3.502 20 0 EHADLO C[C@@]1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000080322536 1029795890 /nfs/dbraw/zinc/79/58/90/1029795890.db2.gz LGNQQMPDKNQHAR-JOCHJYFZSA-N 1 2 345.446 3.684 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446779705 1029797934 /nfs/dbraw/zinc/79/79/34/1029797934.db2.gz BFYDBUJEPUBZRI-CZUORRHYSA-N 1 2 349.475 3.934 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446779705 1029797940 /nfs/dbraw/zinc/79/79/40/1029797940.db2.gz BFYDBUJEPUBZRI-CZUORRHYSA-N 1 2 349.475 3.934 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)o1 ZINC000428454497 1029802733 /nfs/dbraw/zinc/80/27/33/1029802733.db2.gz RKKZESKFOSEEBE-UHFFFAOYSA-N 1 2 347.890 3.907 20 0 EHADLO CC(C)C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccs1 ZINC000533772498 1029805411 /nfs/dbraw/zinc/80/54/11/1029805411.db2.gz TZWOLLQVBDAIKM-CABCVRRESA-N 1 2 346.500 3.768 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1-c1noc([C@H]2CC[NH2+]CC2(F)F)n1 ZINC001211580403 1029823708 /nfs/dbraw/zinc/82/37/08/1029823708.db2.gz PTNHQCLFRLOQBP-LLVKDONJSA-N 1 2 347.287 3.776 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156370378 1029824633 /nfs/dbraw/zinc/82/46/33/1029824633.db2.gz JHUNILJDBGBIKC-QGZVFWFLSA-N 1 2 329.469 3.849 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156370378 1029824643 /nfs/dbraw/zinc/82/46/43/1029824643.db2.gz JHUNILJDBGBIKC-QGZVFWFLSA-N 1 2 329.469 3.849 20 0 EHADLO CC1(C)C[N@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475645336 1029829859 /nfs/dbraw/zinc/82/98/59/1029829859.db2.gz ZSQXNYUFGXUUPC-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475645336 1029829864 /nfs/dbraw/zinc/82/98/64/1029829864.db2.gz ZSQXNYUFGXUUPC-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)O[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000428458734 1029843573 /nfs/dbraw/zinc/84/35/73/1029843573.db2.gz IXNBZPCGZGZGGR-IBGZPJMESA-N 1 2 326.440 3.723 20 0 EHADLO CC(C)O[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000428458734 1029843580 /nfs/dbraw/zinc/84/35/80/1029843580.db2.gz IXNBZPCGZGZGGR-IBGZPJMESA-N 1 2 326.440 3.723 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000360303303 1029865859 /nfs/dbraw/zinc/86/58/59/1029865859.db2.gz DZUFMPIRQQVMCM-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458547798 1029875788 /nfs/dbraw/zinc/87/57/88/1029875788.db2.gz AAOVMAQOZLORBX-JTDSTZFVSA-N 1 2 348.450 3.810 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127399850 1029876509 /nfs/dbraw/zinc/87/65/09/1029876509.db2.gz PGVNMLRLUUBLLJ-GOEBONIOSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127399850 1029876514 /nfs/dbraw/zinc/87/65/14/1029876514.db2.gz PGVNMLRLUUBLLJ-GOEBONIOSA-N 1 2 336.407 3.510 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000508757245 1029891860 /nfs/dbraw/zinc/89/18/60/1029891860.db2.gz BZCZSKIJRWUQSC-UHFFFAOYSA-N 1 2 327.424 3.746 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000508757245 1029891870 /nfs/dbraw/zinc/89/18/70/1029891870.db2.gz BZCZSKIJRWUQSC-UHFFFAOYSA-N 1 2 327.424 3.746 20 0 EHADLO Cc1ccc(C(F)(F)F)c(NC(=O)NCCNc2cccc[nH+]2)c1 ZINC000667947271 1029942388 /nfs/dbraw/zinc/94/23/88/1029942388.db2.gz LCNSDSIKNJWHPU-UHFFFAOYSA-N 1 2 338.333 3.642 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccnc(Oc2ccccc2)c1 ZINC000525620038 1029975122 /nfs/dbraw/zinc/97/51/22/1029975122.db2.gz XVDGOKKLDNKKHF-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000583508930 1029983836 /nfs/dbraw/zinc/98/38/36/1029983836.db2.gz YDRHFEWBJOJZQW-IINYFYTJSA-N 1 2 335.860 3.595 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000583508930 1029983856 /nfs/dbraw/zinc/98/38/56/1029983856.db2.gz YDRHFEWBJOJZQW-IINYFYTJSA-N 1 2 335.860 3.595 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCCc3occc32)sc1Br ZINC000453258732 1029991367 /nfs/dbraw/zinc/99/13/67/1029991367.db2.gz BIUMEBRCCWKIEB-JTQLQIEISA-N 1 2 327.247 3.974 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccc(F)cn1 ZINC000453264883 1029998153 /nfs/dbraw/zinc/99/81/53/1029998153.db2.gz IYVRYVVVFAPUAY-JTQLQIEISA-N 1 2 344.253 3.989 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)ncn1 ZINC000428472224 1030001458 /nfs/dbraw/zinc/00/14/58/1030001458.db2.gz GNUGEXDYQFSOBI-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)ncn1 ZINC000428472224 1030001468 /nfs/dbraw/zinc/00/14/68/1030001468.db2.gz GNUGEXDYQFSOBI-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CCc1cnc(C[N@@H+](Cc2ccc(OC)cc2OC)CC2CC2)o1 ZINC000548799747 1030034750 /nfs/dbraw/zinc/03/47/50/1030034750.db2.gz DSVFVEAWTXJJBK-UHFFFAOYSA-N 1 2 330.428 3.666 20 0 EHADLO CCc1cnc(C[N@H+](Cc2ccc(OC)cc2OC)CC2CC2)o1 ZINC000548799747 1030034767 /nfs/dbraw/zinc/03/47/67/1030034767.db2.gz DSVFVEAWTXJJBK-UHFFFAOYSA-N 1 2 330.428 3.666 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000531942189 1030060155 /nfs/dbraw/zinc/06/01/55/1030060155.db2.gz JOJNXUZYYUNZQN-ICSRJNTNSA-N 1 2 333.435 3.795 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000453331195 1030067279 /nfs/dbraw/zinc/06/72/79/1030067279.db2.gz XOOHRNQGCFWNSZ-JTQLQIEISA-N 1 2 347.768 3.865 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000481873824 1030081484 /nfs/dbraw/zinc/08/14/84/1030081484.db2.gz LUJREXWYBVKPGN-MOXGXCLJSA-N 1 2 332.463 3.713 20 0 EHADLO C[C@@H]1C[C@@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000531948489 1030115970 /nfs/dbraw/zinc/11/59/70/1030115970.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948489 1030115982 /nfs/dbraw/zinc/11/59/82/1030115982.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948489 1030115985 /nfs/dbraw/zinc/11/59/85/1030115985.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 2 335.923 3.549 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(F)c1 ZINC000090450366 1030116087 /nfs/dbraw/zinc/11/60/87/1030116087.db2.gz IJPITDJUAOTDGT-UONOGXRCSA-N 1 2 340.402 3.827 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000612818837 1030128380 /nfs/dbraw/zinc/12/83/80/1030128380.db2.gz NHBIJQNRWTULPT-JHJVBQTASA-N 1 2 328.909 3.726 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000612818837 1030128397 /nfs/dbraw/zinc/12/83/97/1030128397.db2.gz NHBIJQNRWTULPT-JHJVBQTASA-N 1 2 328.909 3.726 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000428481268 1030131789 /nfs/dbraw/zinc/13/17/89/1030131789.db2.gz JSQVNOYDYRTQCO-IAGOWNOFSA-N 1 2 334.508 3.836 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000447374649 1030144135 /nfs/dbraw/zinc/14/41/35/1030144135.db2.gz OJUDRBYZIRGFGE-CQSZACIVSA-N 1 2 345.420 3.601 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000447374649 1030144149 /nfs/dbraw/zinc/14/41/49/1030144149.db2.gz OJUDRBYZIRGFGE-CQSZACIVSA-N 1 2 345.420 3.601 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cn1 ZINC000525836291 1030162895 /nfs/dbraw/zinc/16/28/95/1030162895.db2.gz SGRVMEUFSTWCDQ-CQSZACIVSA-N 1 2 327.407 3.640 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018460 1030176933 /nfs/dbraw/zinc/17/69/33/1030176933.db2.gz RENZGJPKILEPIV-OCCSQVGLSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018460 1030176938 /nfs/dbraw/zinc/17/69/38/1030176938.db2.gz RENZGJPKILEPIV-OCCSQVGLSA-N 1 2 329.893 3.754 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(F)cn1 ZINC000453367019 1030182811 /nfs/dbraw/zinc/18/28/11/1030182811.db2.gz WSDRNSWOJGXAOA-ISVAXAHUSA-N 1 2 340.320 3.985 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)C1 ZINC000121104746 1030183226 /nfs/dbraw/zinc/18/32/26/1030183226.db2.gz PVMGUFFQXPIWPL-SJORKVTESA-N 1 2 344.503 3.650 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1=CCCCC1 ZINC000525866209 1030183984 /nfs/dbraw/zinc/18/39/84/1030183984.db2.gz FZTUHNXBWWKDJN-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1=CCCCC1 ZINC000525866209 1030183991 /nfs/dbraw/zinc/18/39/91/1030183991.db2.gz FZTUHNXBWWKDJN-HNNXBMFYSA-N 1 2 334.410 3.546 20 0 EHADLO COC[C@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1ccco1 ZINC000278336073 1030227053 /nfs/dbraw/zinc/22/70/53/1030227053.db2.gz BSRGSBSVGMUGGY-IBGZPJMESA-N 1 2 338.407 3.731 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1C2CCC1CC2 ZINC000536081348 1030227599 /nfs/dbraw/zinc/22/75/99/1030227599.db2.gz LOAMSMAYJSKEMK-UHFFFAOYSA-N 1 2 334.423 3.761 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)cs1 ZINC000453416336 1030231540 /nfs/dbraw/zinc/23/15/40/1030231540.db2.gz UOKHZXRHPTVBOG-HUUCEWRRSA-N 1 2 345.512 3.665 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000121379001 1030246336 /nfs/dbraw/zinc/24/63/36/1030246336.db2.gz XKAZLWXVQHITTL-IBGZPJMESA-N 1 2 339.483 3.905 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000121412954 1030249810 /nfs/dbraw/zinc/24/98/10/1030249810.db2.gz WZMMCNAXBBWRES-VQTJNVASSA-N 1 2 338.451 3.891 20 0 EHADLO CCOc1ccc(CNc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000892347083 1030336648 /nfs/dbraw/zinc/33/66/48/1030336648.db2.gz UCFQPHDKDPZKNF-UHFFFAOYSA-N 1 2 327.384 3.566 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCc1cccs1 ZINC000092018050 1030360140 /nfs/dbraw/zinc/36/01/40/1030360140.db2.gz AHAYYHXWLISQQF-HUUCEWRRSA-N 1 2 347.480 3.945 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCc1cccs1 ZINC000092018050 1030360155 /nfs/dbraw/zinc/36/01/55/1030360155.db2.gz AHAYYHXWLISQQF-HUUCEWRRSA-N 1 2 347.480 3.945 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000925253077 1030451946 /nfs/dbraw/zinc/45/19/46/1030451946.db2.gz CHCPRXJLFCOVEV-NVXWUHKLSA-N 1 2 328.460 3.951 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(OC)cc1Cl ZINC000092438274 1030453394 /nfs/dbraw/zinc/45/33/94/1030453394.db2.gz KKNQXJSSBJXBKP-UHFFFAOYSA-N 1 2 328.243 3.758 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(OC)cc1Cl ZINC000092438274 1030453401 /nfs/dbraw/zinc/45/34/01/1030453401.db2.gz KKNQXJSSBJXBKP-UHFFFAOYSA-N 1 2 328.243 3.758 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc(C(F)(F)F)s2)cc(OC)c1 ZINC000447742824 1030461941 /nfs/dbraw/zinc/46/19/41/1030461941.db2.gz FBTBCTGZQYDSKH-UHFFFAOYSA-N 1 2 346.374 3.811 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc(C(F)(F)F)s2)cc(OC)c1 ZINC000447742824 1030461948 /nfs/dbraw/zinc/46/19/48/1030461948.db2.gz FBTBCTGZQYDSKH-UHFFFAOYSA-N 1 2 346.374 3.811 20 0 EHADLO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c(C)c1 ZINC000532217584 1030486650 /nfs/dbraw/zinc/48/66/50/1030486650.db2.gz XAJSVSFWEJOSGQ-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CCN(C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccccc1 ZINC000092917780 1030536273 /nfs/dbraw/zinc/53/62/73/1030536273.db2.gz LGYQTAJJTSUOCR-UHFFFAOYSA-N 1 2 348.328 3.503 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1F ZINC000526987666 1030547690 /nfs/dbraw/zinc/54/76/90/1030547690.db2.gz ULNVDXYJWIQIMI-GFCCVEGCSA-N 1 2 345.418 3.815 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1F ZINC000526987666 1030547706 /nfs/dbraw/zinc/54/77/06/1030547706.db2.gz ULNVDXYJWIQIMI-GFCCVEGCSA-N 1 2 345.418 3.815 20 0 EHADLO C[C@H]1CC[C@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000526989848 1030549525 /nfs/dbraw/zinc/54/95/25/1030549525.db2.gz ZAAVCXHGUXRPPH-HOTGVXAUSA-N 1 2 344.503 3.545 20 0 EHADLO CCCn1nccc1C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000668079371 1030567413 /nfs/dbraw/zinc/56/74/13/1030567413.db2.gz HPYIIJDRNXVRGT-QGZVFWFLSA-N 1 2 342.487 3.841 20 0 EHADLO CCCn1nccc1C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000668079371 1030567421 /nfs/dbraw/zinc/56/74/21/1030567421.db2.gz HPYIIJDRNXVRGT-QGZVFWFLSA-N 1 2 342.487 3.841 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](c1ccccc1)C1CC1 ZINC000635169671 1030573650 /nfs/dbraw/zinc/57/36/50/1030573650.db2.gz CIWKRVJECDWTHR-GDBMZVCRSA-N 1 2 337.345 3.644 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H](c2cccs2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000532348813 1030573652 /nfs/dbraw/zinc/57/36/52/1030573652.db2.gz VPQYZYJMEOXOMM-KMFMINBZSA-N 1 2 344.484 3.688 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000532348162 1030574772 /nfs/dbraw/zinc/57/47/72/1030574772.db2.gz LCQQWYYEAUTTHF-PBFPGSCMSA-N 1 2 348.397 3.515 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637510 1030644041 /nfs/dbraw/zinc/64/40/41/1030644041.db2.gz UGVFLMTXJZNYTD-IBGZPJMESA-N 1 2 331.435 3.541 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1C ZINC000093637510 1030644052 /nfs/dbraw/zinc/64/40/52/1030644052.db2.gz UGVFLMTXJZNYTD-IBGZPJMESA-N 1 2 331.435 3.541 20 0 EHADLO OC[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(F)cc1F ZINC000657791487 1030656123 /nfs/dbraw/zinc/65/61/23/1030656123.db2.gz CRZVAYFJSDBEMD-INIZCTEOSA-N 1 2 338.423 3.902 20 0 EHADLO CCOc1cc(C)ccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000151141856 1030752141 /nfs/dbraw/zinc/75/21/41/1030752141.db2.gz SQQMBSBUZDPYAF-UHFFFAOYSA-N 1 2 349.434 3.569 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(-c2c(F)cccc2F)s1)c1nccn1C ZINC000657794616 1030763057 /nfs/dbraw/zinc/76/30/57/1030763057.db2.gz YJDNDYUNRZAITF-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142163 1030765233 /nfs/dbraw/zinc/76/52/33/1030765233.db2.gz UJVBTAPATANZDQ-HNAYVOBHSA-N 1 2 340.471 3.985 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142163 1030765251 /nfs/dbraw/zinc/76/52/51/1030765251.db2.gz UJVBTAPATANZDQ-HNAYVOBHSA-N 1 2 340.471 3.985 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)c(F)c1 ZINC000171078352 1030809702 /nfs/dbraw/zinc/80/97/02/1030809702.db2.gz FOADADVRHGUACL-UHFFFAOYSA-N 1 2 349.406 3.717 20 0 EHADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000668173641 1030850345 /nfs/dbraw/zinc/85/03/45/1030850345.db2.gz NFDSXVYTCVVHDA-RBUKOAKNSA-N 1 2 340.471 3.681 20 0 EHADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000668173641 1030850366 /nfs/dbraw/zinc/85/03/66/1030850366.db2.gz NFDSXVYTCVVHDA-RBUKOAKNSA-N 1 2 340.471 3.681 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)Nc1ccncc1 ZINC000171987921 1030856385 /nfs/dbraw/zinc/85/63/85/1030856385.db2.gz HTSJUWVMKLVOLF-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)Nc1ccncc1 ZINC000171987921 1030856407 /nfs/dbraw/zinc/85/64/07/1030856407.db2.gz HTSJUWVMKLVOLF-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000171982899 1030856481 /nfs/dbraw/zinc/85/64/81/1030856481.db2.gz WQMWXTLVUAHBKI-GFCCVEGCSA-N 1 2 347.344 3.532 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2csc(-c3cccnc3)n2)c(C)[nH+]1 ZINC000097213903 1030905191 /nfs/dbraw/zinc/90/51/91/1030905191.db2.gz BKGUQUJQZJMZOE-UHFFFAOYSA-N 1 2 338.436 3.707 20 0 EHADLO CC(C)[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000115778974 1030915993 /nfs/dbraw/zinc/91/59/93/1030915993.db2.gz SQCABHSSHRUWLZ-INIZCTEOSA-N 1 2 334.851 3.623 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2ccc(Cl)cc2)Cc2ccccc2C1 ZINC001168150172 1030934551 /nfs/dbraw/zinc/93/45/51/1030934551.db2.gz RRFINRFXFKDPIL-CQSZACIVSA-N 1 2 343.854 3.571 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000527536254 1030958992 /nfs/dbraw/zinc/95/89/92/1030958992.db2.gz ZKHMCBKNVGJNQS-UHFFFAOYSA-N 1 2 347.724 3.854 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000448334515 1030970148 /nfs/dbraw/zinc/97/01/48/1030970148.db2.gz ISXQGTBHAXNOJQ-LAUBAEHRSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000448334515 1030970160 /nfs/dbraw/zinc/97/01/60/1030970160.db2.gz ISXQGTBHAXNOJQ-LAUBAEHRSA-N 1 2 333.435 3.834 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000448359848 1030985690 /nfs/dbraw/zinc/98/56/90/1030985690.db2.gz PPAMMKYCTREYEZ-GWCFXTLKSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000448359848 1030985710 /nfs/dbraw/zinc/98/57/10/1030985710.db2.gz PPAMMKYCTREYEZ-GWCFXTLKSA-N 1 2 336.423 3.576 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccn1 ZINC000527537853 1030993885 /nfs/dbraw/zinc/99/38/85/1030993885.db2.gz BSQIPWUBMFLOCK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccn1 ZINC000527537853 1030993900 /nfs/dbraw/zinc/99/39/00/1030993900.db2.gz BSQIPWUBMFLOCK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000527538602 1030998354 /nfs/dbraw/zinc/99/83/54/1030998354.db2.gz MCIBYMHYMDDVSH-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000527538602 1030998365 /nfs/dbraw/zinc/99/83/65/1030998365.db2.gz MCIBYMHYMDDVSH-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583875162 1031005252 /nfs/dbraw/zinc/00/52/52/1031005252.db2.gz ZHGMSRTWXWGMTA-OAHLLOKOSA-N 1 2 341.455 3.708 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483197441 1031024503 /nfs/dbraw/zinc/02/45/03/1031024503.db2.gz KQITXOBWXLLXKE-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483197441 1031024522 /nfs/dbraw/zinc/02/45/22/1031024522.db2.gz KQITXOBWXLLXKE-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483197443 1031025034 /nfs/dbraw/zinc/02/50/34/1031025034.db2.gz KQITXOBWXLLXKE-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483197443 1031025049 /nfs/dbraw/zinc/02/50/49/1031025049.db2.gz KQITXOBWXLLXKE-XHBSWPGZSA-N 1 2 330.255 3.934 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](CCCC(=O)c1ccc(F)cc1)C2 ZINC000527621024 1031047236 /nfs/dbraw/zinc/04/72/36/1031047236.db2.gz FAIDQHUPPQWQKL-UHFFFAOYSA-N 1 2 341.430 3.760 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](CCCC(=O)c1ccc(F)cc1)C2 ZINC000527621024 1031047252 /nfs/dbraw/zinc/04/72/52/1031047252.db2.gz FAIDQHUPPQWQKL-UHFFFAOYSA-N 1 2 341.430 3.760 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2cc(F)ccc2Br)n1 ZINC000343475092 1031048579 /nfs/dbraw/zinc/04/85/79/1031048579.db2.gz MCSJZDPUQZNNBG-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)s2)c1 ZINC000278485881 1031057645 /nfs/dbraw/zinc/05/76/45/1031057645.db2.gz SMMPFRMJPPYJMS-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)s2)c1 ZINC000278485881 1031057658 /nfs/dbraw/zinc/05/76/58/1031057658.db2.gz SMMPFRMJPPYJMS-QGZVFWFLSA-N 1 2 326.421 3.977 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000483264986 1031073586 /nfs/dbraw/zinc/07/35/86/1031073586.db2.gz AUWPFDPUTDSHOM-CQSZACIVSA-N 1 2 347.459 3.981 20 0 EHADLO CC(C)n1cc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)nn1 ZINC000583898902 1031076649 /nfs/dbraw/zinc/07/66/49/1031076649.db2.gz QIJRYWYVORBXLQ-AWEZNQCLSA-N 1 2 336.842 3.859 20 0 EHADLO CC(C)n1cc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)nn1 ZINC000583898902 1031076668 /nfs/dbraw/zinc/07/66/68/1031076668.db2.gz QIJRYWYVORBXLQ-AWEZNQCLSA-N 1 2 336.842 3.859 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000483337877 1031113408 /nfs/dbraw/zinc/11/34/08/1031113408.db2.gz MOHITBWTPNSAFY-GOSISDBHSA-N 1 2 326.827 3.770 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000483337877 1031113418 /nfs/dbraw/zinc/11/34/18/1031113418.db2.gz MOHITBWTPNSAFY-GOSISDBHSA-N 1 2 326.827 3.770 20 0 EHADLO CC1=C(C)C[N@H+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000483348694 1031118596 /nfs/dbraw/zinc/11/85/96/1031118596.db2.gz MTSPWPHVGYFVER-UHFFFAOYSA-N 1 2 341.224 3.569 20 0 EHADLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000483348694 1031118603 /nfs/dbraw/zinc/11/86/03/1031118603.db2.gz MTSPWPHVGYFVER-UHFFFAOYSA-N 1 2 341.224 3.569 20 0 EHADLO CC(NC(=O)[C@H]1CCc2c[nH+]cn2C1)(c1ccccc1)c1ccccc1 ZINC000668237876 1031127117 /nfs/dbraw/zinc/12/71/17/1031127117.db2.gz ATVDDEXGFQSNTA-KRWDZBQOSA-N 1 2 345.446 3.525 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2ccncc2)cc1 ZINC000173918918 1031133700 /nfs/dbraw/zinc/13/37/00/1031133700.db2.gz PEWRIUSUVSHQSX-ZDUSSCGKSA-N 1 2 330.395 3.598 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@H]2CCSC2)c1 ZINC000278506982 1031152022 /nfs/dbraw/zinc/15/20/22/1031152022.db2.gz OIFHZLUWWXICNW-OAHLLOKOSA-N 1 2 333.526 3.940 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@H]2CCSC2)c1 ZINC000278506982 1031152028 /nfs/dbraw/zinc/15/20/28/1031152028.db2.gz OIFHZLUWWXICNW-OAHLLOKOSA-N 1 2 333.526 3.940 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000483420327 1031154160 /nfs/dbraw/zinc/15/41/60/1031154160.db2.gz MHIWCMUAKRLMHM-QGZVFWFLSA-N 1 2 335.904 3.980 20 0 EHADLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000483420327 1031154170 /nfs/dbraw/zinc/15/41/70/1031154170.db2.gz MHIWCMUAKRLMHM-QGZVFWFLSA-N 1 2 335.904 3.980 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000483446379 1031164322 /nfs/dbraw/zinc/16/43/22/1031164322.db2.gz ZSIBUQLHFPNSEL-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000483446379 1031164333 /nfs/dbraw/zinc/16/43/33/1031164333.db2.gz ZSIBUQLHFPNSEL-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3[C@H]4CCCCCC[C@H]34)[nH+]c12 ZINC000611795099 1031179343 /nfs/dbraw/zinc/17/93/43/1031179343.db2.gz MWQWSVXJAGDQAH-IRXDYDNUSA-N 1 2 325.456 3.518 20 0 EHADLO Fc1ccc(C2(C[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CCC2)cc1 ZINC000343511909 1031201671 /nfs/dbraw/zinc/20/16/71/1031201671.db2.gz MVYNFBDLUBFFEP-GOSISDBHSA-N 1 2 336.414 3.745 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(Cc3ccccc3)CC2)c2cn[nH]n2)cc1 ZINC000551316355 1031220983 /nfs/dbraw/zinc/22/09/83/1031220983.db2.gz FTBVEOFUEKIMSC-LJQANCHMSA-N 1 2 336.414 3.646 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2(Cc3ccccc3)CC2)c2c[nH]nn2)cc1 ZINC000551316355 1031220996 /nfs/dbraw/zinc/22/09/96/1031220996.db2.gz FTBVEOFUEKIMSC-LJQANCHMSA-N 1 2 336.414 3.646 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(O)c3)n2)cc1F ZINC000483637035 1031260789 /nfs/dbraw/zinc/26/07/89/1031260789.db2.gz KLWMQYWDXPKXGC-GFCCVEGCSA-N 1 2 327.359 3.741 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2c3c(nn2C)CCCC3)c2ccccn2)cc1 ZINC000631124028 1031265173 /nfs/dbraw/zinc/26/51/73/1031265173.db2.gz DVJDHWBQCYSZND-QFIPXVFZSA-N 1 2 346.478 3.882 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)n1 ZINC000175120047 1031279773 /nfs/dbraw/zinc/27/97/73/1031279773.db2.gz UPEDZXUNVNOCLA-UHFFFAOYSA-N 1 2 342.374 3.552 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1c(C)cccc1Cl)c1ccccn1 ZINC000450765666 1031322701 /nfs/dbraw/zinc/32/27/01/1031322701.db2.gz RSHYOLBNVWNBGX-GOSISDBHSA-N 1 2 332.831 3.612 20 0 EHADLO CC(C)(C)[C@@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668262821 1031326868 /nfs/dbraw/zinc/32/68/68/1031326868.db2.gz BJXQTDMEBHHSNU-SJORKVTESA-N 1 2 325.456 3.969 20 0 EHADLO S=C(NCCNc1cccc[nH+]1)Nc1cc(Cl)cc(Cl)c1 ZINC000052732995 1031331747 /nfs/dbraw/zinc/33/17/47/1031331747.db2.gz MGQUSSODZRBNHZ-UHFFFAOYSA-N 1 2 341.267 3.787 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)s1 ZINC000315357479 1031345217 /nfs/dbraw/zinc/34/52/17/1031345217.db2.gz PONVLZKUCCQUAQ-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000483845563 1031359629 /nfs/dbraw/zinc/35/96/29/1031359629.db2.gz JAGCEPBRPNCWFL-IBGZPJMESA-N 1 2 346.515 3.946 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000151341503 1031361768 /nfs/dbraw/zinc/36/17/68/1031361768.db2.gz ZVOIDXOPZCTUOG-WOJBJXKFSA-N 1 2 337.467 3.764 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175736824 1031373569 /nfs/dbraw/zinc/37/35/69/1031373569.db2.gz JEQBCUJALKOHMZ-OXJNMPFZSA-N 1 2 331.419 3.891 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894572 1031389790 /nfs/dbraw/zinc/38/97/90/1031389790.db2.gz UDDJFOIKHNSCFR-SUMWQHHRSA-N 1 2 327.453 3.533 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483973040 1031408607 /nfs/dbraw/zinc/40/86/07/1031408607.db2.gz BYSQCTNUQWLSCW-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483973040 1031408613 /nfs/dbraw/zinc/40/86/13/1031408613.db2.gz BYSQCTNUQWLSCW-INIZCTEOSA-N 1 2 338.451 3.779 20 0 EHADLO CCn1ncc(C[NH2+][C@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)n1 ZINC000527922447 1031412001 /nfs/dbraw/zinc/41/20/01/1031412001.db2.gz XAYAUPVEIHBUSR-SFHVURJKSA-N 1 2 342.487 3.907 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccoc2)cc1OCC ZINC000102409255 1031418775 /nfs/dbraw/zinc/41/87/75/1031418775.db2.gz GZKZAOORKLIKIW-UHFFFAOYSA-N 1 2 346.427 3.538 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccoc2)cc1OCC ZINC000102409255 1031418789 /nfs/dbraw/zinc/41/87/89/1031418789.db2.gz GZKZAOORKLIKIW-UHFFFAOYSA-N 1 2 346.427 3.538 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000520957133 1031436236 /nfs/dbraw/zinc/43/62/36/1031436236.db2.gz RPIXPGPPIRPCRS-MRXNPFEDSA-N 1 2 336.439 3.905 20 0 EHADLO O=C(NC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1)c1ccccc1 ZINC000527916972 1031453161 /nfs/dbraw/zinc/45/31/61/1031453161.db2.gz UUZPKMINGNMJNG-KRWDZBQOSA-N 1 2 345.446 3.881 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000635408829 1031457485 /nfs/dbraw/zinc/45/74/85/1031457485.db2.gz PKQVLHOOYGVOPQ-GJZGRUSLSA-N 1 2 339.361 3.890 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000527940048 1031467276 /nfs/dbraw/zinc/46/72/76/1031467276.db2.gz ULNVSIUXNUNNSG-CQSZACIVSA-N 1 2 343.475 3.774 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1Cl ZINC000278580586 1031487414 /nfs/dbraw/zinc/48/74/14/1031487414.db2.gz KDBXJGKBDUZWQK-JTQLQIEISA-N 1 2 325.243 3.700 20 0 EHADLO Cc1ccccc1-c1nsc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000527928468 1031491725 /nfs/dbraw/zinc/49/17/25/1031491725.db2.gz OYDHDSHDVVXIOX-ZBFHGGJFSA-N 1 2 339.468 3.798 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000667002715 1031492608 /nfs/dbraw/zinc/49/26/08/1031492608.db2.gz WMVVMUJXOZUXBT-YOEHRIQHSA-N 1 2 331.485 3.801 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726182 1031517890 /nfs/dbraw/zinc/51/78/90/1031517890.db2.gz PNJQSAYVMLOPKG-MSOLQXFVSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527983620 1031518839 /nfs/dbraw/zinc/51/88/39/1031518839.db2.gz WVRRSHXNLUPUIV-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3ccc(F)cc3Cl)[nH+]c12 ZINC000083944050 1031536957 /nfs/dbraw/zinc/53/69/57/1031536957.db2.gz QZUFXXWAQVNDLO-JOCHJYFZSA-N 1 2 336.819 3.884 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)c3ccc(Br)cc3)[nH+]c12 ZINC000083977324 1031557412 /nfs/dbraw/zinc/55/74/12/1031557412.db2.gz KXZDJEJMDDPYRK-FQEVSTJZSA-N 1 2 349.253 3.713 20 0 EHADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(-c2ccncc2)ccc1OC ZINC000343596819 1031567552 /nfs/dbraw/zinc/56/75/52/1031567552.db2.gz DJJFLASDJPICOC-HNNXBMFYSA-N 1 2 342.439 3.531 20 0 EHADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(-c2ccncc2)ccc1OC ZINC000343596819 1031567564 /nfs/dbraw/zinc/56/75/64/1031567564.db2.gz DJJFLASDJPICOC-HNNXBMFYSA-N 1 2 342.439 3.531 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000177799717 1031570127 /nfs/dbraw/zinc/57/01/27/1031570127.db2.gz BEHXKJYUHQFGGW-FYCOFBDGSA-N 1 2 329.831 3.549 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000177639208 1031583989 /nfs/dbraw/zinc/58/39/89/1031583989.db2.gz RHQHYFGULXFNLS-YJBOKZPZSA-N 1 2 337.423 3.851 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1c(F)cccc1Cl ZINC000177965981 1031600229 /nfs/dbraw/zinc/60/02/29/1031600229.db2.gz HIDCTELGZXNNLM-NSHDSACASA-N 1 2 346.793 3.687 20 0 EHADLO CC(C)n1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000080636099 1031606907 /nfs/dbraw/zinc/60/69/07/1031606907.db2.gz OUJLSRBQLTUSEI-GOSISDBHSA-N 1 2 344.434 3.596 20 0 EHADLO CC(C)n1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000080636099 1031606912 /nfs/dbraw/zinc/60/69/12/1031606912.db2.gz OUJLSRBQLTUSEI-GOSISDBHSA-N 1 2 344.434 3.596 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+]CCCCOc2ccccc2)n1 ZINC000348786813 1031608613 /nfs/dbraw/zinc/60/86/13/1031608613.db2.gz VUYXSRDOURZMLM-UHFFFAOYSA-N 1 2 336.382 3.631 20 0 EHADLO CCOC(=O)c1ccc2[nH]c(-c3cc(-n4cc[nH+]c4)cs3)nc2c1 ZINC000544057553 1031621598 /nfs/dbraw/zinc/62/15/98/1031621598.db2.gz INGGGKOOWCSUNB-UHFFFAOYSA-N 1 2 338.392 3.654 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Br)cs1 ZINC000177826760 1031624504 /nfs/dbraw/zinc/62/45/04/1031624504.db2.gz FFLZEPPSCAATLB-OAHLLOKOSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Br)cs1 ZINC000177826760 1031624514 /nfs/dbraw/zinc/62/45/14/1031624514.db2.gz FFLZEPPSCAATLB-OAHLLOKOSA-N 1 2 338.270 3.602 20 0 EHADLO CS[C@@H]1CCC[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000117217915 1031628449 /nfs/dbraw/zinc/62/84/49/1031628449.db2.gz DWZMYXOEMPCZLR-LSDHHAIUSA-N 1 2 329.469 3.585 20 0 EHADLO O=C(Cc1ccc(O)cc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177883806 1031635849 /nfs/dbraw/zinc/63/58/49/1031635849.db2.gz RHTBKZCOZMDVGS-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO Cc1csc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2F)n1 ZINC000584079658 1031653983 /nfs/dbraw/zinc/65/39/83/1031653983.db2.gz QXXGAHJIFOOXTP-UHFFFAOYSA-N 1 2 346.387 3.608 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cc(F)ccc2s1 ZINC000178379537 1031688795 /nfs/dbraw/zinc/68/87/95/1031688795.db2.gz YXCCHEXOKLHZQD-UHFFFAOYSA-N 1 2 325.368 3.618 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000565924185 1031715115 /nfs/dbraw/zinc/71/51/15/1031715115.db2.gz VCMYVNRRXJXSQX-INIZCTEOSA-N 1 2 338.411 3.958 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152523112 1031734874 /nfs/dbraw/zinc/73/48/74/1031734874.db2.gz CZNNWEFNCVNTAZ-IWEFOYFVSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152523112 1031734889 /nfs/dbraw/zinc/73/48/89/1031734889.db2.gz CZNNWEFNCVNTAZ-IWEFOYFVSA-N 1 2 336.838 3.697 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000117562698 1031752545 /nfs/dbraw/zinc/75/25/45/1031752545.db2.gz XXQJKNPVCCHFTD-UHFFFAOYSA-N 1 2 345.446 3.967 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117567970 1031753788 /nfs/dbraw/zinc/75/37/88/1031753788.db2.gz BWVYJRXCEIMWGB-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO [NH3+][C@@H](c1nc(CC2CCCC2)no1)c1ccc(Br)cc1 ZINC000904120769 1031757166 /nfs/dbraw/zinc/75/71/66/1031757166.db2.gz DMCRCYGUZKEIES-CQSZACIVSA-N 1 2 336.233 3.613 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(O)c(OC)c2)c1C ZINC000085788680 1031767157 /nfs/dbraw/zinc/76/71/57/1031767157.db2.gz SDKBKSHJJCJEDS-UHFFFAOYSA-N 1 2 344.455 3.544 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1C ZINC000085788680 1031767169 /nfs/dbraw/zinc/76/71/69/1031767169.db2.gz SDKBKSHJJCJEDS-UHFFFAOYSA-N 1 2 344.455 3.544 20 0 EHADLO CCC[C@@H](OCC)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000528140722 1031767858 /nfs/dbraw/zinc/76/78/58/1031767858.db2.gz QZUGSIQNBPTLIJ-OAHLLOKOSA-N 1 2 339.505 3.519 20 0 EHADLO COc1ccc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000085820930 1031770201 /nfs/dbraw/zinc/77/02/01/1031770201.db2.gz ORBZFWFTCZSXHP-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000085820930 1031770214 /nfs/dbraw/zinc/77/02/14/1031770214.db2.gz ORBZFWFTCZSXHP-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000477670618 1031771463 /nfs/dbraw/zinc/77/14/63/1031771463.db2.gz NSEASBYSTMUEKH-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000477670618 1031771480 /nfs/dbraw/zinc/77/14/80/1031771480.db2.gz NSEASBYSTMUEKH-HNNXBMFYSA-N 1 2 336.439 3.996 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000179426128 1031774514 /nfs/dbraw/zinc/77/45/14/1031774514.db2.gz RMVBPUGUVPGRAB-SFHVURJKSA-N 1 2 341.386 3.691 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000179426128 1031774528 /nfs/dbraw/zinc/77/45/28/1031774528.db2.gz RMVBPUGUVPGRAB-SFHVURJKSA-N 1 2 341.386 3.691 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000117673554 1031792406 /nfs/dbraw/zinc/79/24/06/1031792406.db2.gz IUHPPAQBJPABDK-LJQANCHMSA-N 1 2 349.459 3.803 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(F)c(C)c3)C2)nc(C2CC2)[nH+]1 ZINC000343655089 1031808379 /nfs/dbraw/zinc/80/83/79/1031808379.db2.gz NBNUBIOCSBKYHK-KRWDZBQOSA-N 1 2 327.403 3.688 20 0 EHADLO CCCCc1nc(C)c(Cc2nc(-c3ccc(N)[nH+]c3C)no2)s1 ZINC000904264541 1031891567 /nfs/dbraw/zinc/89/15/67/1031891567.db2.gz LCERTZGZEVBEOQ-UHFFFAOYSA-N 1 2 343.456 3.721 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347475628 1031977659 /nfs/dbraw/zinc/97/76/59/1031977659.db2.gz YRJRICFYFZLETI-RDJZCZTQSA-N 1 2 343.446 3.534 20 0 EHADLO CC1(CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000332964936 1032006489 /nfs/dbraw/zinc/00/64/89/1032006489.db2.gz FKNKHLHEOLHPLU-ROUUACIJSA-N 1 2 338.455 3.601 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000449013932 1032023544 /nfs/dbraw/zinc/02/35/44/1032023544.db2.gz NMDSGRZSLATWTL-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000449013932 1032023556 /nfs/dbraw/zinc/02/35/56/1032023556.db2.gz NMDSGRZSLATWTL-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C12CCC2 ZINC000181874028 1032039830 /nfs/dbraw/zinc/03/98/30/1032039830.db2.gz AZDCIOUEXLKEEW-BHYGNILZSA-N 1 2 341.455 3.659 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057390 1033311149 /nfs/dbraw/zinc/31/11/49/1033311149.db2.gz QNFZZASSRQBHBE-SMDDNHRTSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057390 1033311162 /nfs/dbraw/zinc/31/11/62/1033311162.db2.gz QNFZZASSRQBHBE-SMDDNHRTSA-N 1 2 346.780 3.720 20 0 EHADLO CCOc1cccc(/C=N/Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1O ZINC000063427631 1033318418 /nfs/dbraw/zinc/31/84/18/1033318418.db2.gz RIALHESERXJKEN-WSDLNYQXSA-N 1 2 339.370 3.735 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000574635296 1033327757 /nfs/dbraw/zinc/32/77/57/1033327757.db2.gz LAHIXJPOSDUTPP-CABCVRRESA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000574635296 1033327765 /nfs/dbraw/zinc/32/77/65/1033327765.db2.gz LAHIXJPOSDUTPP-CABCVRRESA-N 1 2 327.428 3.749 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000898107954 1033332192 /nfs/dbraw/zinc/33/21/92/1033332192.db2.gz HGTFHTWEQMMKPA-MFKMUULPSA-N 1 2 346.208 3.571 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCC3(CCCC3)C2)c(=S)n1C ZINC000173441562 1033335023 /nfs/dbraw/zinc/33/50/23/1033335023.db2.gz HZVWRXGORYEVCW-UHFFFAOYSA-N 1 2 332.473 3.743 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCC3(CCCC3)C2)c(=S)n1C ZINC000173441562 1033335039 /nfs/dbraw/zinc/33/50/39/1033335039.db2.gz HZVWRXGORYEVCW-UHFFFAOYSA-N 1 2 332.473 3.743 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(Br)cc1OC(F)F ZINC000898130237 1033341512 /nfs/dbraw/zinc/34/15/12/1033341512.db2.gz DTTRMMVBAHHHIA-UHFFFAOYSA-N 1 2 346.175 3.879 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCCCC1 ZINC000529075095 1033345686 /nfs/dbraw/zinc/34/56/86/1033345686.db2.gz VREHHPBXWCEVHB-GOSISDBHSA-N 1 2 337.467 3.606 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000574737610 1033351572 /nfs/dbraw/zinc/35/15/72/1033351572.db2.gz FWQXHYXWGQOYGB-QGZVFWFLSA-N 1 2 326.375 3.931 20 0 EHADLO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000574737610 1033351584 /nfs/dbraw/zinc/35/15/84/1033351584.db2.gz FWQXHYXWGQOYGB-QGZVFWFLSA-N 1 2 326.375 3.931 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000173536653 1033382734 /nfs/dbraw/zinc/38/27/34/1033382734.db2.gz DNYNDBKJAPKXSR-HNNXBMFYSA-N 1 2 344.550 3.592 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2nc(NCCOC)sc2=S)C1 ZINC000173536653 1033382747 /nfs/dbraw/zinc/38/27/47/1033382747.db2.gz DNYNDBKJAPKXSR-HNNXBMFYSA-N 1 2 344.550 3.592 20 0 EHADLO CCCn1cc(C[NH2+]Cc2ccccc2SC(F)(F)F)nn1 ZINC000898278809 1033425275 /nfs/dbraw/zinc/42/52/75/1033425275.db2.gz NWCGJORSPDORMA-UHFFFAOYSA-N 1 2 330.379 3.590 20 0 EHADLO C[C@H]1CCN(C(=O)NCC2CCC(C)(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000533967488 1033433322 /nfs/dbraw/zinc/43/33/22/1033433322.db2.gz SPQVYIGDQAPCRU-RDJZCZTQSA-N 1 2 332.492 3.692 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc3c(c2)CCCC3)c1 ZINC000491212993 1033514805 /nfs/dbraw/zinc/51/48/05/1033514805.db2.gz KLIGQIGQAOBVEH-UHFFFAOYSA-N 1 2 328.481 3.798 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccccc1CCc1ccccc1 ZINC001168292244 1033539473 /nfs/dbraw/zinc/53/94/73/1033539473.db2.gz CDRDLZDSRUDZJN-LJQANCHMSA-N 1 2 331.419 3.543 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000608240385 1033539973 /nfs/dbraw/zinc/53/99/73/1033539973.db2.gz PBDSALZUNJNXOS-SFHVURJKSA-N 1 2 331.435 3.528 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000787206766 1033721757 /nfs/dbraw/zinc/72/17/57/1033721757.db2.gz VZFRINMDTSQJHJ-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000787206766 1033721765 /nfs/dbraw/zinc/72/17/65/1033721765.db2.gz VZFRINMDTSQJHJ-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO CC(C)C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)n1cc[nH+]c1 ZINC000635662412 1033738914 /nfs/dbraw/zinc/73/89/14/1033738914.db2.gz WJKZVFPAVLHCNQ-RBSFLKMASA-N 1 2 345.409 3.955 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)CC[C@H]1C(=O)OC(C)(C)C ZINC000599150907 1033764563 /nfs/dbraw/zinc/76/45/63/1033764563.db2.gz UBVQWQGKIQMFJG-ZIAGYGMSSA-N 1 2 341.455 3.621 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1C ZINC000063859012 1033794756 /nfs/dbraw/zinc/79/47/56/1033794756.db2.gz LIZTULJUDGIQIZ-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1C ZINC000063859012 1033794771 /nfs/dbraw/zinc/79/47/71/1033794771.db2.gz LIZTULJUDGIQIZ-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1cc2cc(NCCc3ccc(Br)cn3)[nH+]cc2[nH]1 ZINC001168306664 1033796099 /nfs/dbraw/zinc/79/60/99/1033796099.db2.gz DZFZDBNBXJPRTP-UHFFFAOYSA-N 1 2 331.217 3.683 20 0 EHADLO Cc1nc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000595441869 1033804126 /nfs/dbraw/zinc/80/41/26/1033804126.db2.gz ORBMXFBFAGZFIK-PVAVHDDUSA-N 1 2 334.460 3.766 20 0 EHADLO Cc1nc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000595441869 1033804130 /nfs/dbraw/zinc/80/41/30/1033804130.db2.gz ORBMXFBFAGZFIK-PVAVHDDUSA-N 1 2 334.460 3.766 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2cc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000450155827 1033821262 /nfs/dbraw/zinc/82/12/62/1033821262.db2.gz BIMVFPVMBZHEJR-WMLDXEAASA-N 1 2 339.464 3.750 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCCCC1 ZINC000007002085 1033847764 /nfs/dbraw/zinc/84/77/64/1033847764.db2.gz BXGLUJIPXHDJDB-NWDGAFQWSA-N 1 2 331.485 3.656 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000608751363 1033861909 /nfs/dbraw/zinc/86/19/09/1033861909.db2.gz ZFNISIGJDYPZRB-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000608751363 1033861921 /nfs/dbraw/zinc/86/19/21/1033861921.db2.gz ZFNISIGJDYPZRB-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000450211704 1033903268 /nfs/dbraw/zinc/90/32/68/1033903268.db2.gz AZLUREXXKPZIMY-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000450211704 1033903277 /nfs/dbraw/zinc/90/32/77/1033903277.db2.gz AZLUREXXKPZIMY-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO CCCOc1ccc(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001212195234 1033906409 /nfs/dbraw/zinc/90/64/09/1033906409.db2.gz FRWKJAWXJSRJGK-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000450212856 1033907043 /nfs/dbraw/zinc/90/70/43/1033907043.db2.gz DLMORJLHBRWDEJ-MRXNPFEDSA-N 1 2 337.389 3.900 20 0 EHADLO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000450212856 1033907052 /nfs/dbraw/zinc/90/70/52/1033907052.db2.gz DLMORJLHBRWDEJ-MRXNPFEDSA-N 1 2 337.389 3.900 20 0 EHADLO COc1cccc([C@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000084631372 1033920214 /nfs/dbraw/zinc/92/02/14/1033920214.db2.gz IIDPAGUAGNKNET-MRXNPFEDSA-N 1 2 349.434 3.691 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCCC(F)(F)F ZINC000595673576 1033944747 /nfs/dbraw/zinc/94/47/47/1033944747.db2.gz IPWPNWNYBWNRCW-CQSZACIVSA-N 1 2 333.350 3.574 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCCC(F)(F)F ZINC000595673576 1033944757 /nfs/dbraw/zinc/94/47/57/1033944757.db2.gz IPWPNWNYBWNRCW-CQSZACIVSA-N 1 2 333.350 3.574 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCc2cscn2)CC1 ZINC000450237802 1033959740 /nfs/dbraw/zinc/95/97/40/1033959740.db2.gz QFYLSYUMQGSAHF-CQSZACIVSA-N 1 2 335.904 3.718 20 0 EHADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000450256951 1033978008 /nfs/dbraw/zinc/97/80/08/1033978008.db2.gz SJFOFQSLTDYCHP-YQQAZPJKSA-N 1 2 333.435 3.977 20 0 EHADLO CCS[C@H](C)c1noc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000595791168 1034002574 /nfs/dbraw/zinc/00/25/74/1034002574.db2.gz ZXZGTEALWCNJSP-HIFRSBDPSA-N 1 2 339.505 3.665 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884135 1034010099 /nfs/dbraw/zinc/01/00/99/1034010099.db2.gz SEQYCWFLLJTJKJ-UHFFFAOYSA-N 1 2 329.787 3.784 20 0 EHADLO CCCc1nc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000599594123 1034031563 /nfs/dbraw/zinc/03/15/63/1034031563.db2.gz FGTCJDDHKDKIQW-HIFRSBDPSA-N 1 2 338.517 3.895 20 0 EHADLO CCCc1nc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000599594123 1034031580 /nfs/dbraw/zinc/03/15/80/1034031580.db2.gz FGTCJDDHKDKIQW-HIFRSBDPSA-N 1 2 338.517 3.895 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869236 1034032355 /nfs/dbraw/zinc/03/23/55/1034032355.db2.gz CANUOEZCKVSFBC-MSOLQXFVSA-N 1 2 340.471 3.678 20 0 EHADLO C[C@H]1CCCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869621 1034052067 /nfs/dbraw/zinc/05/20/67/1034052067.db2.gz WZKBWSZTLMISKG-WMZOPIPTSA-N 1 2 340.471 3.678 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000056874025 1034057154 /nfs/dbraw/zinc/05/71/54/1034057154.db2.gz AQLXJIAFTBMJLL-GOSISDBHSA-N 1 2 338.455 3.739 20 0 EHADLO O=C(Nc1ccc(-c2ccccn2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685702574 1034058112 /nfs/dbraw/zinc/05/81/12/1034058112.db2.gz GVFWAXYTEKDTCD-GOSISDBHSA-N 1 2 347.422 3.814 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1F ZINC000658223488 1034079295 /nfs/dbraw/zinc/07/92/95/1034079295.db2.gz JVSUVLXPKIITQT-ZDUSSCGKSA-N 1 2 336.794 3.886 20 0 EHADLO CC[C@H]([NH2+]Cc1sc(C)cc1Br)c1nccn1C ZINC000658224764 1034083303 /nfs/dbraw/zinc/08/33/03/1034083303.db2.gz CYWBBFJURWETQY-NSHDSACASA-N 1 2 328.279 3.793 20 0 EHADLO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1nc(C(F)(F)F)cs1 ZINC000658214059 1034094375 /nfs/dbraw/zinc/09/43/75/1034094375.db2.gz WAHDSHZIRQWBFF-MRVPVSSYSA-N 1 2 330.379 3.624 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787563 1034106226 /nfs/dbraw/zinc/10/62/26/1034106226.db2.gz VGJRFVKHIQAEOW-CVEARBPZSA-N 1 2 327.428 3.516 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787563 1034106233 /nfs/dbraw/zinc/10/62/33/1034106233.db2.gz VGJRFVKHIQAEOW-CVEARBPZSA-N 1 2 327.428 3.516 20 0 EHADLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529531416 1034117039 /nfs/dbraw/zinc/11/70/39/1034117039.db2.gz SGOJMEDUFJYFBA-GFCCVEGCSA-N 1 2 344.833 3.602 20 0 EHADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529531416 1034117042 /nfs/dbraw/zinc/11/70/42/1034117042.db2.gz SGOJMEDUFJYFBA-GFCCVEGCSA-N 1 2 344.833 3.602 20 0 EHADLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000450318916 1034127763 /nfs/dbraw/zinc/12/77/63/1034127763.db2.gz XKAQWDCBVDZSCC-HOCLYGCPSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1csc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000450318916 1034127774 /nfs/dbraw/zinc/12/77/74/1034127774.db2.gz XKAQWDCBVDZSCC-HOCLYGCPSA-N 1 2 336.407 3.510 20 0 EHADLO Brc1sccc1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529524606 1034135414 /nfs/dbraw/zinc/13/54/14/1034135414.db2.gz GSSIIOLNQMWWSP-NSHDSACASA-N 1 2 326.263 3.613 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)n1cc[nH+]c1 ZINC000635721558 1034138511 /nfs/dbraw/zinc/13/85/11/1034138511.db2.gz OAYBMLXGCIJPPQ-OAHLLOKOSA-N 1 2 347.369 3.854 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(OC)c1 ZINC000537617373 1034164208 /nfs/dbraw/zinc/16/42/08/1034164208.db2.gz HETGRJDULZZBQR-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(OC)c1 ZINC000537617373 1034164213 /nfs/dbraw/zinc/16/42/13/1034164213.db2.gz HETGRJDULZZBQR-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO C[C@@H](CCCO)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450382784 1034220698 /nfs/dbraw/zinc/22/06/98/1034220698.db2.gz YKATUZONNSLUJS-VIFPVBQESA-N 1 2 327.197 3.709 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000171211548 1034230766 /nfs/dbraw/zinc/23/07/66/1034230766.db2.gz ABGXZRFIMYPQFQ-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000171211548 1034230775 /nfs/dbraw/zinc/23/07/75/1034230775.db2.gz ABGXZRFIMYPQFQ-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000529594740 1034236987 /nfs/dbraw/zinc/23/69/87/1034236987.db2.gz ADSXDZDDAJYOFW-WFASDCNBSA-N 1 2 325.225 3.604 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000529594740 1034236995 /nfs/dbraw/zinc/23/69/95/1034236995.db2.gz ADSXDZDDAJYOFW-WFASDCNBSA-N 1 2 325.225 3.604 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc(Cl)c(F)c3)[nH+]c12 ZINC000534230866 1034247614 /nfs/dbraw/zinc/24/76/14/1034247614.db2.gz IOKKMVOWJRLELA-UHFFFAOYSA-N 1 2 345.805 3.636 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000255712991 1034264461 /nfs/dbraw/zinc/26/44/61/1034264461.db2.gz SJBDVGWTUXWRRQ-VHZXSIFZSA-N 1 2 336.838 3.697 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000255712991 1034264478 /nfs/dbraw/zinc/26/44/78/1034264478.db2.gz SJBDVGWTUXWRRQ-VHZXSIFZSA-N 1 2 336.838 3.697 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(COC)o1)CC2 ZINC000120973461 1034275220 /nfs/dbraw/zinc/27/52/20/1034275220.db2.gz ZCNVBJICGAIMSF-UHFFFAOYSA-N 1 2 345.439 3.782 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(COC)o1)CC2 ZINC000120973461 1034275237 /nfs/dbraw/zinc/27/52/37/1034275237.db2.gz ZCNVBJICGAIMSF-UHFFFAOYSA-N 1 2 345.439 3.782 20 0 EHADLO CC[N@H+](Cc1ccc(C(C)=O)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000450417717 1034304925 /nfs/dbraw/zinc/30/49/25/1034304925.db2.gz JNTHDXHQBUAOEF-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CC[N@@H+](Cc1ccc(C(C)=O)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000450417717 1034304932 /nfs/dbraw/zinc/30/49/32/1034304932.db2.gz JNTHDXHQBUAOEF-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000529639106 1034325825 /nfs/dbraw/zinc/32/58/25/1034325825.db2.gz CVRCUOKUKLTGRP-UHFFFAOYSA-N 1 2 347.466 3.723 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1c[nH]c(-c3ccccc3)n1)C2 ZINC000529639106 1034325837 /nfs/dbraw/zinc/32/58/37/1034325837.db2.gz CVRCUOKUKLTGRP-UHFFFAOYSA-N 1 2 347.466 3.723 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)c1 ZINC000604328384 1034329070 /nfs/dbraw/zinc/32/90/70/1034329070.db2.gz MXFJMIDKFISKFB-HOTGVXAUSA-N 1 2 332.488 3.583 20 0 EHADLO Nc1nc(N2CCC(=Cc3ccccc3F)CC2)[nH+]c2ccccc12 ZINC000534270788 1034333200 /nfs/dbraw/zinc/33/32/00/1034333200.db2.gz ZJCLEIYULUKNMF-UHFFFAOYSA-N 1 2 334.398 3.865 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)o1 ZINC000101995488 1034359749 /nfs/dbraw/zinc/35/97/49/1034359749.db2.gz IUKXPTZBNWUWAT-AWEZNQCLSA-N 1 2 338.411 3.643 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121062148 1034367204 /nfs/dbraw/zinc/36/72/04/1034367204.db2.gz XPJNVTOCZBZKFK-SFHVURJKSA-N 1 2 342.464 3.628 20 0 EHADLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456135 1034369222 /nfs/dbraw/zinc/36/92/22/1034369222.db2.gz SDERBNRHWOIBJB-AAEUAGOBSA-N 1 2 344.402 3.758 20 0 EHADLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000450456135 1034369233 /nfs/dbraw/zinc/36/92/33/1034369233.db2.gz SDERBNRHWOIBJB-AAEUAGOBSA-N 1 2 344.402 3.758 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(F)cc2OCC2CC2)c(C)c[nH+]1 ZINC000534323830 1034396605 /nfs/dbraw/zinc/39/66/05/1034396605.db2.gz AHNNZOVYRWUOOF-UHFFFAOYSA-N 1 2 329.375 3.692 20 0 EHADLO COC(=O)[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@@H]1C ZINC000450478115 1034396747 /nfs/dbraw/zinc/39/67/47/1034396747.db2.gz ZLFARFTXFVQOEJ-QWRGUYRKSA-N 1 2 336.794 3.663 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000534331843 1034405755 /nfs/dbraw/zinc/40/57/55/1034405755.db2.gz ZEHGAIFUQJPDOH-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000534331843 1034405768 /nfs/dbraw/zinc/40/57/68/1034405768.db2.gz ZEHGAIFUQJPDOH-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO CC(C)c1ccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604583234 1034429200 /nfs/dbraw/zinc/42/92/00/1034429200.db2.gz YQCKHRKEQPWEMX-UHFFFAOYSA-N 1 2 348.450 3.995 20 0 EHADLO CC[C@@H](C)Sc1ccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)cc1 ZINC000647417402 1034492119 /nfs/dbraw/zinc/49/21/19/1034492119.db2.gz XYEQUQCLCIXPAV-DOMZBBRYSA-N 1 2 333.457 3.630 20 0 EHADLO CC[C@@H](C)Sc1ccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)cc1 ZINC000647417402 1034492123 /nfs/dbraw/zinc/49/21/23/1034492123.db2.gz XYEQUQCLCIXPAV-DOMZBBRYSA-N 1 2 333.457 3.630 20 0 EHADLO COc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000023666468 1034501482 /nfs/dbraw/zinc/50/14/82/1034501482.db2.gz QLUQUOFNZXBGQP-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000023666468 1034501503 /nfs/dbraw/zinc/50/15/03/1034501503.db2.gz QLUQUOFNZXBGQP-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO CC1(C)CCC[C@H](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000534406926 1034503848 /nfs/dbraw/zinc/50/38/48/1034503848.db2.gz YMMCRCMCLOKGLL-QGZVFWFLSA-N 1 2 344.499 3.643 20 0 EHADLO NC(=[NH+]OCc1csc(Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000060453446 1034546865 /nfs/dbraw/zinc/54/68/65/1034546865.db2.gz YZRPRVCRNNKRFJ-UHFFFAOYSA-N 1 2 341.411 3.710 20 0 EHADLO CC(C)Oc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030656841 1034563400 /nfs/dbraw/zinc/56/34/00/1034563400.db2.gz INDDHJMIZABFNC-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000597172329 1034563905 /nfs/dbraw/zinc/56/39/05/1034563905.db2.gz WTKYDGSAOGBXRA-SECBINFHSA-N 1 2 343.279 3.984 20 0 EHADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000597172329 1034563920 /nfs/dbraw/zinc/56/39/20/1034563920.db2.gz WTKYDGSAOGBXRA-SECBINFHSA-N 1 2 343.279 3.984 20 0 EHADLO C[C@@H]1[C@H](CO)CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000413600665 1034570358 /nfs/dbraw/zinc/57/03/58/1034570358.db2.gz YYUWPOBEUSPRPO-NEPJUHHUSA-N 1 2 335.245 3.595 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1Cl ZINC000450623025 1034573492 /nfs/dbraw/zinc/57/34/92/1034573492.db2.gz LOQORSSZWAMGRM-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1Cl ZINC000450623025 1034573504 /nfs/dbraw/zinc/57/35/04/1034573504.db2.gz LOQORSSZWAMGRM-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000450623463 1034576290 /nfs/dbraw/zinc/57/62/90/1034576290.db2.gz QELIOGNKPQAHMV-JLZZUVOBSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000450623463 1034576302 /nfs/dbraw/zinc/57/63/02/1034576302.db2.gz QELIOGNKPQAHMV-JLZZUVOBSA-N 1 2 344.282 3.804 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)c(C)n1C ZINC000534480328 1034584538 /nfs/dbraw/zinc/58/45/38/1034584538.db2.gz VWFXBXQNKWSFMX-UHFFFAOYSA-N 1 2 328.456 3.744 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)c(C)n1C ZINC000534480328 1034584554 /nfs/dbraw/zinc/58/45/54/1034584554.db2.gz VWFXBXQNKWSFMX-UHFFFAOYSA-N 1 2 328.456 3.744 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000605051969 1034602933 /nfs/dbraw/zinc/60/29/33/1034602933.db2.gz AHKMOJFMLANFDI-KRWDZBQOSA-N 1 2 344.434 3.732 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ncc(Br)s2)c1C ZINC000534496556 1034607422 /nfs/dbraw/zinc/60/74/22/1034607422.db2.gz JSCGNCHNGOZPFI-SECBINFHSA-N 1 2 343.294 3.590 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534520795 1034625734 /nfs/dbraw/zinc/62/57/34/1034625734.db2.gz QPMOEFJVRDHQHE-MRXNPFEDSA-N 1 2 337.533 3.792 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000450648920 1034635656 /nfs/dbraw/zinc/63/56/56/1034635656.db2.gz ZBDRJXLFRYIYNV-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000450648920 1034635662 /nfs/dbraw/zinc/63/56/62/1034635662.db2.gz ZBDRJXLFRYIYNV-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000450667042 1034665233 /nfs/dbraw/zinc/66/52/33/1034665233.db2.gz UVCHWNSMXSZQMR-CQSZACIVSA-N 1 2 349.356 3.550 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000450668965 1034668807 /nfs/dbraw/zinc/66/88/07/1034668807.db2.gz QQFYRRMPCNKWRP-MRXNPFEDSA-N 1 2 339.361 3.991 20 0 EHADLO c1c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)nnn1CC1CC1 ZINC000450682207 1034683282 /nfs/dbraw/zinc/68/32/82/1034683282.db2.gz OUGPLXUTUTVGLZ-NRFANRHFSA-N 1 2 348.450 3.598 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000375851761 1034722410 /nfs/dbraw/zinc/72/24/10/1034722410.db2.gz MJHBEEBHHZMGOO-CQSZACIVSA-N 1 2 332.423 3.605 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000375851761 1034722425 /nfs/dbraw/zinc/72/24/25/1034722425.db2.gz MJHBEEBHHZMGOO-CQSZACIVSA-N 1 2 332.423 3.605 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000456776371 1034722596 /nfs/dbraw/zinc/72/25/96/1034722596.db2.gz QTVRNCZDVATPNC-HBFSDRIKSA-N 1 2 337.467 3.536 20 0 EHADLO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000456787161 1034731339 /nfs/dbraw/zinc/73/13/39/1034731339.db2.gz XSZDYCCWDCRJAM-CEXWTWQISA-N 1 2 337.467 3.536 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2occc2s1 ZINC000605464519 1034749685 /nfs/dbraw/zinc/74/96/85/1034749685.db2.gz JMDKJQKCLFCHGY-UHFFFAOYSA-N 1 2 342.420 3.579 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCc4cc(Cl)ccc43)[nH+]c12 ZINC000529921657 1034769685 /nfs/dbraw/zinc/76/96/85/1034769685.db2.gz ZJFIPSYARNAKRF-QGZVFWFLSA-N 1 2 339.826 3.642 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCN2c3ccccc3CC[C@H]2C)c[nH+]1 ZINC000456826398 1034770092 /nfs/dbraw/zinc/77/00/92/1034770092.db2.gz AVQQQBQJOJKDSJ-QGZVFWFLSA-N 1 2 337.467 3.546 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000605544935 1034770981 /nfs/dbraw/zinc/77/09/81/1034770981.db2.gz NMRBIIBJRFGLRM-UHFFFAOYSA-N 1 2 344.418 3.948 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(C(C)(C)C)CC2)n1 ZINC000172013484 1034772216 /nfs/dbraw/zinc/77/22/16/1034772216.db2.gz DDJNSPPEZGJGRY-UHFFFAOYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000529939522 1034797425 /nfs/dbraw/zinc/79/74/25/1034797425.db2.gz VYIOXZFLSKWKJW-AWEZNQCLSA-N 1 2 343.858 3.866 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000529939522 1034797434 /nfs/dbraw/zinc/79/74/34/1034797434.db2.gz VYIOXZFLSKWKJW-AWEZNQCLSA-N 1 2 343.858 3.866 20 0 EHADLO CCC1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000612348126 1034823180 /nfs/dbraw/zinc/82/31/80/1034823180.db2.gz VAGOZIZNDBMQLU-CABCVRRESA-N 1 2 339.430 3.898 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000431649245 1034833338 /nfs/dbraw/zinc/83/33/38/1034833338.db2.gz UPAWQIIESNVYAT-OAQYLSRUSA-N 1 2 345.446 3.668 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121358399 1034844038 /nfs/dbraw/zinc/84/40/38/1034844038.db2.gz YDPGTSQANRQWPI-QGZVFWFLSA-N 1 2 342.464 3.876 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CC(F)(F)F)n2)CC[C@@H]1C(F)(F)F ZINC000450846935 1034858196 /nfs/dbraw/zinc/85/81/96/1034858196.db2.gz UOEHAEYEHFPZDE-NSHDSACASA-N 1 2 343.315 3.856 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CC(F)(F)F)n2)CC[C@@H]1C(F)(F)F ZINC000450846935 1034858206 /nfs/dbraw/zinc/85/82/06/1034858206.db2.gz UOEHAEYEHFPZDE-NSHDSACASA-N 1 2 343.315 3.856 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472430744 1034937029 /nfs/dbraw/zinc/93/70/29/1034937029.db2.gz ZQXURGUWOZUHDQ-OLZOCXBDSA-N 1 2 348.796 3.632 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472430744 1034937046 /nfs/dbraw/zinc/93/70/46/1034937046.db2.gz ZQXURGUWOZUHDQ-OLZOCXBDSA-N 1 2 348.796 3.632 20 0 EHADLO CC(C)C[N@H+](C)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000065943699 1034984068 /nfs/dbraw/zinc/98/40/68/1034984068.db2.gz DTRREKCVUCMXAI-UHFFFAOYSA-N 1 2 330.501 3.885 20 0 EHADLO CC(C)C[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000065943699 1034984075 /nfs/dbraw/zinc/98/40/75/1034984075.db2.gz DTRREKCVUCMXAI-UHFFFAOYSA-N 1 2 330.501 3.885 20 0 EHADLO O=C1[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)CCN1C1CCCCC1 ZINC000530124421 1034994830 /nfs/dbraw/zinc/99/48/30/1034994830.db2.gz LOEIHAZGCNUEJV-QUCCMNQESA-N 1 2 338.451 3.892 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1Cl ZINC000451007640 1035024697 /nfs/dbraw/zinc/02/46/97/1035024697.db2.gz VAMQXAFTRJTFSW-OAHLLOKOSA-N 1 2 329.831 3.553 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1Cl ZINC000451007640 1035024708 /nfs/dbraw/zinc/02/47/08/1035024708.db2.gz VAMQXAFTRJTFSW-OAHLLOKOSA-N 1 2 329.831 3.553 20 0 EHADLO COCC1(c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)CCCCC1 ZINC000924075316 1035039323 /nfs/dbraw/zinc/03/93/23/1035039323.db2.gz VVIWGHCMZZXZIN-HNNXBMFYSA-N 1 2 332.448 3.750 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(CCc3ccccc3)n2)[C@H]1[C@H]1CCCO1 ZINC000451040695 1035040952 /nfs/dbraw/zinc/04/09/52/1035040952.db2.gz HEELVKXSTLHHAP-UXHICEINSA-N 1 2 339.483 3.515 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(CCc3ccccc3)n2)[C@H]1[C@H]1CCCO1 ZINC000451040695 1035040957 /nfs/dbraw/zinc/04/09/57/1035040957.db2.gz HEELVKXSTLHHAP-UXHICEINSA-N 1 2 339.483 3.515 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451027397 1035046795 /nfs/dbraw/zinc/04/67/95/1035046795.db2.gz VZQXCGYFJGCKIC-QFIPXVFZSA-N 1 2 349.478 3.684 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451027397 1035046801 /nfs/dbraw/zinc/04/68/01/1035046801.db2.gz VZQXCGYFJGCKIC-QFIPXVFZSA-N 1 2 349.478 3.684 20 0 EHADLO CCC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000612580657 1035070014 /nfs/dbraw/zinc/07/00/14/1035070014.db2.gz BQIWGRVTXNKCIB-QGZVFWFLSA-N 1 2 333.863 3.969 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2cc(Cl)ccc2s1 ZINC000612581769 1035070949 /nfs/dbraw/zinc/07/09/49/1035070949.db2.gz ISQKWRNHZDSZFW-UHFFFAOYSA-N 1 2 333.844 3.914 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H](C)CC2CCOCC2)c2ccc(Cl)cc2)no1 ZINC000133071148 1035198494 /nfs/dbraw/zinc/19/84/94/1035198494.db2.gz YYQJMGCOORZOGC-YVEFUNNKSA-N 1 2 349.862 3.916 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC2(C)C)c(C)c1 ZINC000612795584 1035230848 /nfs/dbraw/zinc/23/08/48/1035230848.db2.gz ANGWCXVYCSEMRL-ROUUACIJSA-N 1 2 325.456 3.794 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)c(N(C)C)[nH+]1 ZINC000162266217 1035239201 /nfs/dbraw/zinc/23/92/01/1035239201.db2.gz NYKYHTGDWBUFMI-HNNXBMFYSA-N 1 2 330.457 3.887 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000612846512 1035259125 /nfs/dbraw/zinc/25/91/25/1035259125.db2.gz XIVVGRDRBDSZBT-QRVBRYPASA-N 1 2 337.467 3.961 20 0 EHADLO Cc1nc(Cl)sc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177651555 1035292580 /nfs/dbraw/zinc/29/25/80/1035292580.db2.gz UZBSREXGZDESEB-UHFFFAOYSA-N 1 2 336.779 3.682 20 0 EHADLO COc1cc(C)cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1C ZINC000685838676 1035379199 /nfs/dbraw/zinc/37/91/99/1035379199.db2.gz ZOSVZDZDGXLTIL-UHFFFAOYSA-N 1 2 349.434 3.738 20 0 EHADLO c1coc(C[N@H+](Cc2ccnn2-c2ccccc2)C[C@H]2CCCO2)c1 ZINC000448339838 1035384143 /nfs/dbraw/zinc/38/41/43/1035384143.db2.gz RTYNJYDKJFTLKC-HXUWFJFHSA-N 1 2 337.423 3.647 20 0 EHADLO c1coc(C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H]2CCCO2)c1 ZINC000448339838 1035384145 /nfs/dbraw/zinc/38/41/45/1035384145.db2.gz RTYNJYDKJFTLKC-HXUWFJFHSA-N 1 2 337.423 3.647 20 0 EHADLO CC(C)Oc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431731642 1035384400 /nfs/dbraw/zinc/38/44/00/1035384400.db2.gz ZWINLHQQLXYYEH-UHFFFAOYSA-N 1 2 349.434 3.900 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000613108867 1035403457 /nfs/dbraw/zinc/40/34/57/1035403457.db2.gz YDYODPJDSHUBPQ-DOMZBBRYSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000613108867 1035403459 /nfs/dbraw/zinc/40/34/59/1035403459.db2.gz YDYODPJDSHUBPQ-DOMZBBRYSA-N 1 2 338.835 3.716 20 0 EHADLO Cc1nc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)nc2ccccc12 ZINC000193687095 1035423909 /nfs/dbraw/zinc/42/39/09/1035423909.db2.gz WOUJTGZLVIMRNA-UHFFFAOYSA-N 1 2 343.312 3.750 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000414070235 1035435699 /nfs/dbraw/zinc/43/56/99/1035435699.db2.gz JQXGMLQEHFKLBY-RNCFNFMXSA-N 1 2 336.844 3.921 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc2n(n1)CCC2 ZINC000414083953 1035462724 /nfs/dbraw/zinc/46/27/24/1035462724.db2.gz WRZYCZQLNRZZMK-BKTGTZMESA-N 1 2 329.419 3.539 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000414097408 1035493132 /nfs/dbraw/zinc/49/31/32/1035493132.db2.gz IYVICQZAUOHQDQ-CQSZACIVSA-N 1 2 344.480 3.945 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000613279009 1035494197 /nfs/dbraw/zinc/49/41/97/1035494197.db2.gz ONXONOJQNGMGIH-AAJLLMFJSA-N 1 2 349.478 3.940 20 0 EHADLO Cc1cc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc[nH+]1 ZINC000186025866 1035568647 /nfs/dbraw/zinc/56/86/47/1035568647.db2.gz DGOGTOMVEJRWDA-UHFFFAOYSA-N 1 2 327.384 3.834 20 0 EHADLO CCSc1cccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1 ZINC000186189344 1035599911 /nfs/dbraw/zinc/59/99/11/1035599911.db2.gz WHFQXACTNUEIGL-UHFFFAOYSA-N 1 2 345.512 3.721 20 0 EHADLO CCSc1cccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000186189344 1035599924 /nfs/dbraw/zinc/59/99/24/1035599924.db2.gz WHFQXACTNUEIGL-UHFFFAOYSA-N 1 2 345.512 3.721 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000186221772 1035606505 /nfs/dbraw/zinc/60/65/05/1035606505.db2.gz LRUCIJGJIARQQO-CHWSQXEVSA-N 1 2 328.441 3.749 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000186281155 1035619896 /nfs/dbraw/zinc/61/98/96/1035619896.db2.gz XKMJVKSRRISCSK-CQSZACIVSA-N 1 2 331.485 3.700 20 0 EHADLO CC(C)N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC(C)(C)C1 ZINC000457065600 1035677016 /nfs/dbraw/zinc/67/70/16/1035677016.db2.gz CHIGUPXBXQMBCC-NVXWUHKLSA-N 1 2 329.488 3.580 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1F ZINC000666163601 1035695697 /nfs/dbraw/zinc/69/56/97/1035695697.db2.gz NPMYZVCCQWAJEN-GOSISDBHSA-N 1 2 344.434 3.766 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000457085225 1035699057 /nfs/dbraw/zinc/69/90/57/1035699057.db2.gz OICQXAQLDSBGPW-BFYDXBDKSA-N 1 2 343.858 3.551 20 0 EHADLO CCCNc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414144154 1035750723 /nfs/dbraw/zinc/75/07/23/1035750723.db2.gz LUOBDYKYKWNKJE-LBPRGKRZSA-N 1 2 333.457 3.602 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC12CCCC2 ZINC000457134071 1035769677 /nfs/dbraw/zinc/76/96/77/1035769677.db2.gz DRUJEYAAQLLKNI-ZHALLVOQSA-N 1 2 341.499 3.581 20 0 EHADLO COc1ccc2nc(C[NH+]3CCN(c4cccs4)CC3)sc2c1 ZINC000187157721 1035775840 /nfs/dbraw/zinc/77/58/40/1035775840.db2.gz RPZJTFBBYLLVIG-UHFFFAOYSA-N 1 2 345.493 3.689 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187228078 1035778176 /nfs/dbraw/zinc/77/81/76/1035778176.db2.gz RWGUINXYKDITOJ-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO CC(C)[C@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC12CCCC2 ZINC000457168703 1035782653 /nfs/dbraw/zinc/78/26/53/1035782653.db2.gz NTKGDDRGLCUDIB-LJQANCHMSA-N 1 2 337.467 3.972 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000514675126 1035786533 /nfs/dbraw/zinc/78/65/33/1035786533.db2.gz MLXDOOWIPUIYQV-BEFAXECRSA-N 1 2 341.430 3.632 20 0 EHADLO c1ccc(Oc2cc(C[NH2+]Cc3nnc(C4CC4)s3)ccn2)cc1 ZINC000892543481 1035800716 /nfs/dbraw/zinc/80/07/16/1035800716.db2.gz JMGAGWCCCCANNB-UHFFFAOYSA-N 1 2 338.436 3.893 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1(C2CCC2)CCC1 ZINC000457166575 1035806285 /nfs/dbraw/zinc/80/62/85/1035806285.db2.gz WYCZPLRMKDAWQB-UHFFFAOYSA-N 1 2 337.467 3.561 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)NCc3c[nH+]cn3C)cc2)cc1 ZINC000349958666 1035830926 /nfs/dbraw/zinc/83/09/26/1035830926.db2.gz BZSGNXKUYQTYIM-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C3CC3)C3CCC(C)CC3)[nH+]c12 ZINC000588359510 1035909542 /nfs/dbraw/zinc/90/95/42/1035909542.db2.gz XLUAQWCYZSJKFF-UHFFFAOYSA-N 1 2 325.456 3.755 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000463868095 1035913102 /nfs/dbraw/zinc/91/31/02/1035913102.db2.gz PLYLODUAPYQTAE-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)CCCn3cc[nH+]c3)c2)c1 ZINC000588624601 1035918321 /nfs/dbraw/zinc/91/83/21/1035918321.db2.gz MOIXATBUAYUJIC-UHFFFAOYSA-N 1 2 333.435 3.955 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457273596 1035927789 /nfs/dbraw/zinc/92/77/89/1035927789.db2.gz IDBJQWCGKCNNEA-QFBILLFUSA-N 1 2 335.451 3.974 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)cc1 ZINC000613460768 1035945125 /nfs/dbraw/zinc/94/51/25/1035945125.db2.gz ZXZGAOPBHDPWLC-HNNXBMFYSA-N 1 2 342.405 3.800 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)cc1 ZINC000613460768 1035945141 /nfs/dbraw/zinc/94/51/41/1035945141.db2.gz ZXZGAOPBHDPWLC-HNNXBMFYSA-N 1 2 342.405 3.800 20 0 EHADLO Brc1cccc2c1CC[N@H+](Cc1ccc3[nH]cnc3c1)C2 ZINC000535083523 1035977763 /nfs/dbraw/zinc/97/77/63/1035977763.db2.gz NNPFNUNYQRUSTD-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1CC[N@@H+](Cc1ccc3[nH]cnc3c1)C2 ZINC000535083523 1035977776 /nfs/dbraw/zinc/97/77/76/1035977776.db2.gz NNPFNUNYQRUSTD-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1CC[N@H+](Cc1ccc3nc[nH]c3c1)C2 ZINC000535083523 1035977795 /nfs/dbraw/zinc/97/77/95/1035977795.db2.gz NNPFNUNYQRUSTD-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1CC[N@@H+](Cc1ccc3nc[nH]c3c1)C2 ZINC000535083523 1035977811 /nfs/dbraw/zinc/97/78/11/1035977811.db2.gz NNPFNUNYQRUSTD-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Cc1ccc(C(C)(C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000492584003 1036029874 /nfs/dbraw/zinc/02/98/74/1036029874.db2.gz UPBUIRPUMXJBFF-XFFZJAGNSA-N 1 2 346.434 3.640 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2nccn21 ZINC000572211167 1036043683 /nfs/dbraw/zinc/04/36/83/1036043683.db2.gz OPRSNRCEUIAHNL-MAUKXSAKSA-N 1 2 334.423 3.653 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541186840 1036067534 /nfs/dbraw/zinc/06/75/34/1036067534.db2.gz QGEWWXRBBWBFRY-MJGOQNOKSA-N 1 2 346.519 3.911 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(Br)c2Cl)nn1C ZINC000414207588 1036070169 /nfs/dbraw/zinc/07/01/69/1036070169.db2.gz HOMZRUAUGVRGAL-SNVBAGLBSA-N 1 2 342.668 3.995 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000457396130 1036087232 /nfs/dbraw/zinc/08/72/32/1036087232.db2.gz YSRFLSUGXLCRMD-RBUKOAKNSA-N 1 2 340.471 3.546 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457396888 1036088394 /nfs/dbraw/zinc/08/83/94/1036088394.db2.gz ZEEREDWZUDENBS-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000669895713 1036094338 /nfs/dbraw/zinc/09/43/38/1036094338.db2.gz ZWAAOKWPXWYKGR-UHFFFAOYSA-N 1 2 338.386 3.812 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1O ZINC000171134947 1036121052 /nfs/dbraw/zinc/12/10/52/1036121052.db2.gz AIXOBEBILUMQGE-UHFFFAOYSA-N 1 2 344.411 3.953 20 0 EHADLO CCc1ccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000541252011 1036128443 /nfs/dbraw/zinc/12/84/43/1036128443.db2.gz DVGBDYPNILRMCW-UHFFFAOYSA-N 1 2 339.483 3.707 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000541277644 1036132140 /nfs/dbraw/zinc/13/21/40/1036132140.db2.gz BPEPLIGZCHHHCY-KDOFPFPSSA-N 1 2 338.455 3.895 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000541277644 1036132147 /nfs/dbraw/zinc/13/21/47/1036132147.db2.gz BPEPLIGZCHHHCY-KDOFPFPSSA-N 1 2 338.455 3.895 20 0 EHADLO CCC[C@@H](C)CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174895456 1036156841 /nfs/dbraw/zinc/15/68/41/1036156841.db2.gz OELHHBQBTLFICV-QGZVFWFLSA-N 1 2 331.504 3.973 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1[nH]ccc1C1CC1 ZINC000457471452 1036175459 /nfs/dbraw/zinc/17/54/59/1036175459.db2.gz BKERFEBGUSCWPP-UHFFFAOYSA-N 1 2 330.457 3.587 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474845 1036177452 /nfs/dbraw/zinc/17/74/52/1036177452.db2.gz DJBLGMYDZLIXCC-MNOVXSKESA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000457474845 1036177461 /nfs/dbraw/zinc/17/74/61/1036177461.db2.gz DJBLGMYDZLIXCC-MNOVXSKESA-N 1 2 349.422 3.902 20 0 EHADLO CO[C@H](C[N@H+](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000549041523 1036203684 /nfs/dbraw/zinc/20/36/84/1036203684.db2.gz MRFDVJTZCMAUCY-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO CO[C@H](C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000549041523 1036203704 /nfs/dbraw/zinc/20/37/04/1036203704.db2.gz MRFDVJTZCMAUCY-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414235228 1036204349 /nfs/dbraw/zinc/20/43/49/1036204349.db2.gz GZEXZRCDVNHCLO-BJOHPYRUSA-N 1 2 325.309 3.658 20 0 EHADLO C[C@H]1CCCC[C@]1(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457552373 1036248634 /nfs/dbraw/zinc/24/86/34/1036248634.db2.gz HLQCCPVJXJFXRZ-JXFKEZNVSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248776553 1036276797 /nfs/dbraw/zinc/27/67/97/1036276797.db2.gz WILSRGVUSZFZLB-DJJJIMSYSA-N 1 2 327.428 3.560 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248776553 1036276820 /nfs/dbraw/zinc/27/68/20/1036276820.db2.gz WILSRGVUSZFZLB-DJJJIMSYSA-N 1 2 327.428 3.560 20 0 EHADLO CC[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000414253718 1036287699 /nfs/dbraw/zinc/28/76/99/1036287699.db2.gz JPUQPQTZUPYAEP-MFKMUULPSA-N 1 2 330.329 3.601 20 0 EHADLO CC(C)C[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(Cl)cc1 ZINC000414255906 1036305093 /nfs/dbraw/zinc/30/50/93/1036305093.db2.gz DIGXVMGVOUWAPA-OAHLLOKOSA-N 1 2 329.835 3.655 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000414258125 1036315301 /nfs/dbraw/zinc/31/53/01/1036315301.db2.gz PBTFOINTDBLIPE-ZDUSSCGKSA-N 1 2 325.334 3.745 20 0 EHADLO COC(=O)CC[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccccc1 ZINC000589252392 1036319787 /nfs/dbraw/zinc/31/97/87/1036319787.db2.gz MSPMPYIJSNMVNF-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO COC(=O)CC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccccc1 ZINC000589252392 1036319807 /nfs/dbraw/zinc/31/98/07/1036319807.db2.gz MSPMPYIJSNMVNF-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326535 1036333363 /nfs/dbraw/zinc/33/33/63/1036333363.db2.gz QLPWNTTWOWXDRJ-WBMJQRKESA-N 1 2 338.854 3.606 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326535 1036333377 /nfs/dbraw/zinc/33/33/77/1036333377.db2.gz QLPWNTTWOWXDRJ-WBMJQRKESA-N 1 2 338.854 3.606 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000589283393 1036338799 /nfs/dbraw/zinc/33/87/99/1036338799.db2.gz HPIAHHOXLVCWRQ-IAGOWNOFSA-N 1 2 329.488 3.583 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000191236234 1036353431 /nfs/dbraw/zinc/35/34/31/1036353431.db2.gz BFUACHLSNPDYES-SFHVURJKSA-N 1 2 345.874 3.765 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000191236234 1036353451 /nfs/dbraw/zinc/35/34/51/1036353451.db2.gz BFUACHLSNPDYES-SFHVURJKSA-N 1 2 345.874 3.765 20 0 EHADLO Brc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)o1 ZINC000191269605 1036357297 /nfs/dbraw/zinc/35/72/97/1036357297.db2.gz SYSKURXZRIXPDB-ZDUSSCGKSA-N 1 2 340.217 3.816 20 0 EHADLO Brc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)o1 ZINC000191269605 1036357318 /nfs/dbraw/zinc/35/73/18/1036357318.db2.gz SYSKURXZRIXPDB-ZDUSSCGKSA-N 1 2 340.217 3.816 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccccc1C(F)(F)F ZINC000464333203 1036358283 /nfs/dbraw/zinc/35/82/83/1036358283.db2.gz BBKRMSXSRHBTNF-UHFFFAOYSA-N 1 2 349.356 3.736 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(OC(C)C)c1 ZINC000464352654 1036366677 /nfs/dbraw/zinc/36/66/77/1036366677.db2.gz DCVZAOBTJZRBEN-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000175503730 1036387966 /nfs/dbraw/zinc/38/79/66/1036387966.db2.gz MZROCNMENHVTHY-QGZVFWFLSA-N 1 2 346.519 3.542 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(OC)c1 ZINC000414271654 1036389650 /nfs/dbraw/zinc/38/96/50/1036389650.db2.gz ZUTQVFAXXITGPE-ZDUSSCGKSA-N 1 2 325.334 3.745 20 0 EHADLO Cn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccccc1 ZINC000191496145 1036391901 /nfs/dbraw/zinc/39/19/01/1036391901.db2.gz QFMIFHQWEMQOEP-UHFFFAOYSA-N 1 2 347.447 3.960 20 0 EHADLO O=C(NCc1ccc(C2CC2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000191577533 1036415183 /nfs/dbraw/zinc/41/51/83/1036415183.db2.gz CWFICVHEPHNLHA-UHFFFAOYSA-N 1 2 346.434 3.749 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cc(CO)on1 ZINC000925267256 1036418649 /nfs/dbraw/zinc/41/86/49/1036418649.db2.gz CPYYTZBIRMPDHR-NWDGAFQWSA-N 1 2 334.391 3.507 20 0 EHADLO Cc1cc(Br)cc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000464401661 1036426467 /nfs/dbraw/zinc/42/64/67/1036426467.db2.gz HIIQNUNNGFKFFI-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO COCCOc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cn1 ZINC000541547178 1036427454 /nfs/dbraw/zinc/42/74/54/1036427454.db2.gz BCMBYCLJEAHOBU-HXUWFJFHSA-N 1 2 338.407 3.579 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C\c2c(Cl)nc3ccccn32)c(C)[nH+]1 ZINC000491321369 1036452009 /nfs/dbraw/zinc/45/20/09/1036452009.db2.gz PQSYHNZLERYNJT-FPLPWBNLSA-N 1 2 340.814 3.960 20 0 EHADLO CC(C)S(=O)(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000178207735 1036484470 /nfs/dbraw/zinc/48/44/70/1036484470.db2.gz DTFBYZIAHGEHIQ-UHFFFAOYSA-N 1 2 331.481 3.512 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)cc1 ZINC000541587828 1036488407 /nfs/dbraw/zinc/48/84/07/1036488407.db2.gz UMPQCSZRWCNHSG-IBGZPJMESA-N 1 2 334.423 3.935 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175852226 1036494326 /nfs/dbraw/zinc/49/43/26/1036494326.db2.gz UBHHDYRWBTUIQQ-INIZCTEOSA-N 1 2 346.434 3.529 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Br)c3cccnc23)o1 ZINC000541690748 1036563278 /nfs/dbraw/zinc/56/32/78/1036563278.db2.gz SNKSGBQZDUCUHN-VIFPVBQESA-N 1 2 347.216 3.540 20 0 EHADLO C[C@H]([NH2+]Cc1noc(Cc2ccccc2)n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541683845 1036571016 /nfs/dbraw/zinc/57/10/16/1036571016.db2.gz BKSRPSQKCODFEQ-GXZWQRSESA-N 1 2 349.434 3.703 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000192992838 1036572489 /nfs/dbraw/zinc/57/24/89/1036572489.db2.gz RAKNQSPNMAXWMT-UHFFFAOYSA-N 1 2 325.343 3.758 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000192992838 1036572496 /nfs/dbraw/zinc/57/24/96/1036572496.db2.gz RAKNQSPNMAXWMT-UHFFFAOYSA-N 1 2 325.343 3.758 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1C ZINC000541718218 1036588446 /nfs/dbraw/zinc/58/84/46/1036588446.db2.gz NOCYUMCDXSGQMC-YOEHRIQHSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1C ZINC000541718218 1036588456 /nfs/dbraw/zinc/58/84/56/1036588456.db2.gz NOCYUMCDXSGQMC-YOEHRIQHSA-N 1 2 335.444 3.717 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000541779392 1036632501 /nfs/dbraw/zinc/63/25/01/1036632501.db2.gz VIOLRCFUKKWSOY-UHFFFAOYSA-N 1 2 347.434 3.770 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000541779392 1036632508 /nfs/dbraw/zinc/63/25/08/1036632508.db2.gz VIOLRCFUKKWSOY-UHFFFAOYSA-N 1 2 347.434 3.770 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001168179366 1036677948 /nfs/dbraw/zinc/67/79/48/1036677948.db2.gz JSOUXBIMHNCTBF-KRWDZBQOSA-N 1 2 343.902 3.526 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)c2nnc[nH]2)C1(C)C ZINC000414328369 1036696752 /nfs/dbraw/zinc/69/67/52/1036696752.db2.gz GYIPUXWHILXLPO-BFHYXJOUSA-N 1 2 334.489 3.527 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1Cl ZINC000302750279 1036710664 /nfs/dbraw/zinc/71/06/64/1036710664.db2.gz VODOLGXZIZVRKY-CQSZACIVSA-N 1 2 348.849 3.958 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1Cl ZINC000302750279 1036710682 /nfs/dbraw/zinc/71/06/82/1036710682.db2.gz VODOLGXZIZVRKY-CQSZACIVSA-N 1 2 348.849 3.958 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170773289 1036718567 /nfs/dbraw/zinc/71/85/67/1036718567.db2.gz IXGYYTADRNWWRG-INIZCTEOSA-N 1 2 332.488 3.983 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000170773289 1036718584 /nfs/dbraw/zinc/71/85/84/1036718584.db2.gz IXGYYTADRNWWRG-INIZCTEOSA-N 1 2 332.488 3.983 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)o1 ZINC000590294590 1036823883 /nfs/dbraw/zinc/82/38/83/1036823883.db2.gz BVUVNRAWTOIQKV-HNNXBMFYSA-N 1 2 340.471 3.609 20 0 EHADLO CCc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c2c(n1)onc2C(C)C ZINC000669830533 1036861728 /nfs/dbraw/zinc/86/17/28/1036861728.db2.gz YRZVOQUFVLSULN-UHFFFAOYSA-N 1 2 349.394 3.809 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccc(C)o1 ZINC000539526119 1036864376 /nfs/dbraw/zinc/86/43/76/1036864376.db2.gz OKLCNCQPYUIPSX-QGZVFWFLSA-N 1 2 326.396 3.622 20 0 EHADLO CC[NH+](CC)[C@@H](CNc1nc(-c2ccccc2)ns1)c1ccco1 ZINC000462380200 1036901775 /nfs/dbraw/zinc/90/17/75/1036901775.db2.gz VKTJJHSSLGQALZ-HNNXBMFYSA-N 1 2 342.468 3.715 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000464857707 1036912129 /nfs/dbraw/zinc/91/21/29/1036912129.db2.gz LUPDBRPHGNJADL-YOEHRIQHSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000464857707 1036912150 /nfs/dbraw/zinc/91/21/50/1036912150.db2.gz LUPDBRPHGNJADL-YOEHRIQHSA-N 1 2 346.496 3.993 20 0 EHADLO O=C(Nc1ccc2[nH]ccc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000103584704 1036947140 /nfs/dbraw/zinc/94/71/40/1036947140.db2.gz RSXUXXXHSQDBNW-UHFFFAOYSA-N 1 2 340.452 3.579 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000177916170 1036967392 /nfs/dbraw/zinc/96/73/92/1036967392.db2.gz RXJYPGNMBLHOGE-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000177916170 1036967404 /nfs/dbraw/zinc/96/74/04/1036967404.db2.gz RXJYPGNMBLHOGE-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)cc[nH+]1 ZINC000428791198 1036973983 /nfs/dbraw/zinc/97/39/83/1036973983.db2.gz YYTPZFRAIOUAIP-UHFFFAOYSA-N 1 2 334.423 3.584 20 0 EHADLO CC[NH+](CC)Cc1cc(Br)cc(Br)c1O ZINC000224520514 1036993744 /nfs/dbraw/zinc/99/37/44/1036993744.db2.gz YMHSTQMRAGSCAG-UHFFFAOYSA-N 1 2 337.055 3.759 20 0 EHADLO COc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1F ZINC000669999437 1037019048 /nfs/dbraw/zinc/01/90/48/1037019048.db2.gz UIDFNDHAEKSXRM-INIZCTEOSA-N 1 2 336.838 3.880 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754354 1037027377 /nfs/dbraw/zinc/02/73/77/1037027377.db2.gz AHNLLJLQOCMZJK-UHFFFAOYSA-N 1 2 338.407 3.945 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754354 1037027384 /nfs/dbraw/zinc/02/73/84/1037027384.db2.gz AHNLLJLQOCMZJK-UHFFFAOYSA-N 1 2 338.407 3.945 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccc(OC(C)(C)C)n2)c(OC)c1 ZINC000508857555 1037031858 /nfs/dbraw/zinc/03/18/58/1037031858.db2.gz QLBNYHAUKJEJJB-UHFFFAOYSA-N 1 2 344.455 3.908 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccc(OC(C)(C)C)n2)c(OC)c1 ZINC000508857555 1037031875 /nfs/dbraw/zinc/03/18/75/1037031875.db2.gz QLBNYHAUKJEJJB-UHFFFAOYSA-N 1 2 344.455 3.908 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000007224803 1037032110 /nfs/dbraw/zinc/03/21/10/1037032110.db2.gz LWVSOIOZVMSJPQ-LJQANCHMSA-N 1 2 335.382 3.690 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733349 1037034242 /nfs/dbraw/zinc/03/42/42/1037034242.db2.gz UEUIUCWNHCKHBI-GOSISDBHSA-N 1 2 349.434 3.524 20 0 EHADLO CSCc1cnc(CNc2[nH+]c3ccccc3n2C2CC2)s1 ZINC000590777390 1037045708 /nfs/dbraw/zinc/04/57/08/1037045708.db2.gz PEWVIGXEFHOJJR-UHFFFAOYSA-N 1 2 330.482 3.725 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590845502 1037080173 /nfs/dbraw/zinc/08/01/73/1037080173.db2.gz WYQBLIBROQFJGI-LJQANCHMSA-N 1 2 340.471 3.596 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000590846139 1037080510 /nfs/dbraw/zinc/08/05/10/1037080510.db2.gz LNHMPRZXGOHBES-ROUUACIJSA-N 1 2 326.444 3.689 20 0 EHADLO COc1cc(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)sn1 ZINC000660002889 1037088930 /nfs/dbraw/zinc/08/89/30/1037088930.db2.gz BTXQIXQMBSKQGG-UHFFFAOYSA-N 1 2 330.453 3.840 20 0 EHADLO CCCc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057699626 1037092922 /nfs/dbraw/zinc/09/29/22/1037092922.db2.gz MZQWCSFVMRXFJR-UHFFFAOYSA-N 1 2 342.420 3.593 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590859944 1037103281 /nfs/dbraw/zinc/10/32/81/1037103281.db2.gz FEFQWBHNXRKLEK-WBVHZDCISA-N 1 2 344.846 3.571 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590857928 1037104328 /nfs/dbraw/zinc/10/43/28/1037104328.db2.gz LDYXXSCZDAKFGX-RTBURBONSA-N 1 2 340.471 3.669 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000170893711 1037122517 /nfs/dbraw/zinc/12/25/17/1037122517.db2.gz NAVHEPVMXNXMTG-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO Cc1ccc(C)n1C1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000590930227 1037127881 /nfs/dbraw/zinc/12/78/81/1037127881.db2.gz IVHFNEIBLZGTJQ-UHFFFAOYSA-N 1 2 336.439 3.591 20 0 EHADLO CC[C@H](C)n1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000539778247 1037189477 /nfs/dbraw/zinc/18/94/77/1037189477.db2.gz YWEAHKDLRSTYED-LBPRGKRZSA-N 1 2 341.390 3.740 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000086992274 1037190283 /nfs/dbraw/zinc/19/02/83/1037190283.db2.gz OEYILFQRPIJENJ-GOSISDBHSA-N 1 2 344.434 3.643 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ncnn2C(C)(C)C)CC(C)C)c1 ZINC000669928124 1037200561 /nfs/dbraw/zinc/20/05/61/1037200561.db2.gz KPIOTVYIYXOSSS-UHFFFAOYSA-N 1 2 330.476 3.700 20 0 EHADLO COc1cccc(C[N@H+](Cc2ncnn2C(C)(C)C)CC(C)C)c1 ZINC000669928124 1037200583 /nfs/dbraw/zinc/20/05/83/1037200583.db2.gz KPIOTVYIYXOSSS-UHFFFAOYSA-N 1 2 330.476 3.700 20 0 EHADLO Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000542243162 1037205979 /nfs/dbraw/zinc/20/59/79/1037205979.db2.gz OVEUVMGFGJFNBW-SFHVURJKSA-N 1 2 347.462 3.818 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]nc1-c1ccccc1F ZINC000087132405 1037208841 /nfs/dbraw/zinc/20/88/41/1037208841.db2.gz UNWTXLKLSGVCRL-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539805090 1037219097 /nfs/dbraw/zinc/21/90/97/1037219097.db2.gz HMQAKORKGQDMPK-IBGZPJMESA-N 1 2 332.407 3.553 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000591161336 1037255986 /nfs/dbraw/zinc/25/59/86/1037255986.db2.gz BNCNCAOANRQKGA-OAHLLOKOSA-N 1 2 344.484 3.635 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000591161336 1037255995 /nfs/dbraw/zinc/25/59/95/1037255995.db2.gz BNCNCAOANRQKGA-OAHLLOKOSA-N 1 2 344.484 3.635 20 0 EHADLO C[C@H](c1cccc(NC(=O)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC000591249242 1037270032 /nfs/dbraw/zinc/27/00/32/1037270032.db2.gz IHKJXNGVEMHRLV-QGZVFWFLSA-N 1 2 338.451 3.651 20 0 EHADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000462685777 1037280385 /nfs/dbraw/zinc/28/03/85/1037280385.db2.gz JHSNNDZBZNYYJN-MRXNPFEDSA-N 1 2 343.496 3.645 20 0 EHADLO Cc1cccnc1C(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000685929838 1037316009 /nfs/dbraw/zinc/31/60/09/1037316009.db2.gz MKFNDKVUSWVQHW-UHFFFAOYSA-N 1 2 325.460 3.560 20 0 EHADLO Cc1cccnc1C(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000685929838 1037316028 /nfs/dbraw/zinc/31/60/28/1037316028.db2.gz MKFNDKVUSWVQHW-UHFFFAOYSA-N 1 2 325.460 3.560 20 0 EHADLO CC1CCC([NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001168200452 1037349205 /nfs/dbraw/zinc/34/92/05/1037349205.db2.gz DIHGKKSNGXUJOU-NRXISQOPSA-N 1 2 341.492 3.597 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3Cc4ccccc43)c12 ZINC000301118581 1037358347 /nfs/dbraw/zinc/35/83/47/1037358347.db2.gz XSMNXCHIRJIKKA-HNNXBMFYSA-N 1 2 327.391 3.567 20 0 EHADLO COC(=O)c1sccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000088504291 1037375838 /nfs/dbraw/zinc/37/58/38/1037375838.db2.gz INGHWXUHUPVAMV-UHFFFAOYSA-N 1 2 348.443 3.750 20 0 EHADLO CS[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301470523 1037382810 /nfs/dbraw/zinc/38/28/10/1037382810.db2.gz OSPFYHXPPOJPMV-TZMCWYRMSA-N 1 2 325.441 3.512 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C1(C)C ZINC000462803756 1037422992 /nfs/dbraw/zinc/42/29/92/1037422992.db2.gz OSFDKLVBMJQXMZ-KSZLIROESA-N 1 2 345.462 3.830 20 0 EHADLO CN(C)c1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029913379 1037444054 /nfs/dbraw/zinc/44/40/54/1037444054.db2.gz RMUKVJRCRQGYGO-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491423882 1037451971 /nfs/dbraw/zinc/45/19/71/1037451971.db2.gz QDGDKOHPAYNQBQ-ACJLOTCBSA-N 1 2 348.849 3.991 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)no1)c1cccs1 ZINC000177400057 1037501705 /nfs/dbraw/zinc/50/17/05/1037501705.db2.gz DHOUPAMBAMZISS-ZDUSSCGKSA-N 1 2 343.408 3.629 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1)c1cccs1 ZINC000177400057 1037501717 /nfs/dbraw/zinc/50/17/17/1037501717.db2.gz DHOUPAMBAMZISS-ZDUSSCGKSA-N 1 2 343.408 3.629 20 0 EHADLO C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1c1ccccc1 ZINC000540036399 1037504348 /nfs/dbraw/zinc/50/43/48/1037504348.db2.gz DAUBHEQLDHKKPG-QFBILLFUSA-N 1 2 346.434 3.533 20 0 EHADLO Cc1ccc2sc(C(=O)NCCc3cn4c([nH+]3)CCCC4)cc2c1 ZINC000573408753 1037507077 /nfs/dbraw/zinc/50/70/77/1037507077.db2.gz IURXIXLRQDBKIP-UHFFFAOYSA-N 1 2 339.464 3.715 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000007648043 1037521313 /nfs/dbraw/zinc/52/13/13/1037521313.db2.gz UUDKXLQWVIDSOA-KKSFZXQISA-N 1 2 346.430 3.936 20 0 EHADLO Cc1csc([C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000613545182 1037535198 /nfs/dbraw/zinc/53/51/98/1037535198.db2.gz MPQGICYHMNNBPW-ZIAGYGMSSA-N 1 2 349.525 3.522 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(Cl)cc2c1OCC2 ZINC000462929777 1037556414 /nfs/dbraw/zinc/55/64/14/1037556414.db2.gz PQWAMCZMVRSMBX-UHFFFAOYSA-N 1 2 339.782 3.917 20 0 EHADLO CC(C)N(Cc1cccc(Br)c1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493726151 1037584146 /nfs/dbraw/zinc/58/41/46/1037584146.db2.gz PHNRQHPXXWFJKJ-VOTSOKGWSA-N 1 2 348.244 3.623 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000573503917 1037590490 /nfs/dbraw/zinc/59/04/90/1037590490.db2.gz SIYTYRAYCIHLPX-PXNSSMCTSA-N 1 2 339.483 3.992 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000573503917 1037590496 /nfs/dbraw/zinc/59/04/96/1037590496.db2.gz SIYTYRAYCIHLPX-PXNSSMCTSA-N 1 2 339.483 3.992 20 0 EHADLO Cc1cc(C(C)(C)NC(=O)/C=C/c2[nH]cc[nH+]2)ccc1Br ZINC000493747854 1037597108 /nfs/dbraw/zinc/59/71/08/1037597108.db2.gz CKMGCPXJFOBHPX-VOTSOKGWSA-N 1 2 348.244 3.545 20 0 EHADLO C[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Br)cc1 ZINC000573588854 1037621152 /nfs/dbraw/zinc/62/11/52/1037621152.db2.gz QHSYKPUEFSYRPG-LLVKDONJSA-N 1 2 344.212 3.839 20 0 EHADLO Fc1cc(Cl)c(Br)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001233441501 1037638519 /nfs/dbraw/zinc/63/85/19/1037638519.db2.gz GOERROVVRHJYHO-ONGXEEELSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1cc(Cl)c(Br)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001233441501 1037638527 /nfs/dbraw/zinc/63/85/27/1037638527.db2.gz GOERROVVRHJYHO-ONGXEEELSA-N 1 2 348.643 3.710 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000007855611 1037647882 /nfs/dbraw/zinc/64/78/82/1037647882.db2.gz KHUHUXNGQOKYOR-GOSISDBHSA-N 1 2 336.439 3.975 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000007855611 1037647897 /nfs/dbraw/zinc/64/78/97/1037647897.db2.gz KHUHUXNGQOKYOR-GOSISDBHSA-N 1 2 336.439 3.975 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000058207615 1037654228 /nfs/dbraw/zinc/65/42/28/1037654228.db2.gz HQKZBOOUMZFIBS-UHFFFAOYSA-N 1 2 337.880 3.531 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000058207615 1037654238 /nfs/dbraw/zinc/65/42/38/1037654238.db2.gz HQKZBOOUMZFIBS-UHFFFAOYSA-N 1 2 337.880 3.531 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000463040318 1037680742 /nfs/dbraw/zinc/68/07/42/1037680742.db2.gz VMLZFPSVAPXATE-INIZCTEOSA-N 1 2 342.508 3.931 20 0 EHADLO CCOc1c(C[NH+]2CC(c3ccccc3F)C2)c(C)nn1CC(C)C ZINC000463028811 1037683551 /nfs/dbraw/zinc/68/35/51/1037683551.db2.gz PIHBPKPZMRHZAF-UHFFFAOYSA-N 1 2 345.462 3.985 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000463033706 1037696279 /nfs/dbraw/zinc/69/62/79/1037696279.db2.gz KONFJFSYLUJBQH-RDJZCZTQSA-N 1 2 332.513 3.924 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccccc2)on1 ZINC000029913095 1037738664 /nfs/dbraw/zinc/73/86/64/1037738664.db2.gz NPKIBWGHXAVYRH-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Sc2ccncc2)cc1 ZINC000153217163 1037777198 /nfs/dbraw/zinc/77/71/98/1037777198.db2.gz UUNQTAGETFOFQB-UHFFFAOYSA-N 1 2 338.436 3.848 20 0 EHADLO Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC000172939085 1037777706 /nfs/dbraw/zinc/77/77/06/1037777706.db2.gz RGRALVWUWJTARU-GOSISDBHSA-N 1 2 333.391 3.636 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000187900081 1037829552 /nfs/dbraw/zinc/82/95/52/1037829552.db2.gz AGMYCOBCPORBFS-ULYATVDSSA-N 1 2 347.422 3.692 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378075708 1037839729 /nfs/dbraw/zinc/83/97/29/1037839729.db2.gz KUNSAQQGPOEHOJ-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378075708 1037839748 /nfs/dbraw/zinc/83/97/48/1037839748.db2.gz KUNSAQQGPOEHOJ-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942737 1037848719 /nfs/dbraw/zinc/84/87/19/1037848719.db2.gz OYMGXPOQPHFESY-DYESRHJHSA-N 1 2 340.442 3.777 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942737 1037848739 /nfs/dbraw/zinc/84/87/39/1037848739.db2.gz OYMGXPOQPHFESY-DYESRHJHSA-N 1 2 340.442 3.777 20 0 EHADLO CC(C)c1cc(NCc2ccc(C[S@@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000343851993 1037857988 /nfs/dbraw/zinc/85/79/88/1037857988.db2.gz JTFIJDFBPGKZQU-XMMPIXPASA-N 1 2 345.512 3.636 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119317979 1037896506 /nfs/dbraw/zinc/89/65/06/1037896506.db2.gz UMUOKUVKECVOBE-OAHLLOKOSA-N 1 2 343.496 3.545 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C/C1CCC1 ZINC000492051895 1037904175 /nfs/dbraw/zinc/90/41/75/1037904175.db2.gz SYEHSFRLXRVHSS-MDZDMXLPSA-N 1 2 327.472 3.503 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc(OC(F)F)c1 ZINC000271460666 1037907268 /nfs/dbraw/zinc/90/72/68/1037907268.db2.gz KEHPOVAVAQCUOC-BMIGLBTASA-N 1 2 343.320 3.950 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC2(C)C)C[C@H](C)O1 ZINC000666647341 1037913938 /nfs/dbraw/zinc/91/39/38/1037913938.db2.gz HPRTXTDPHOCOMC-UXLLHSPISA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC2(C)C)C[C@H](C)O1 ZINC000666647341 1037913955 /nfs/dbraw/zinc/91/39/55/1037913955.db2.gz HPRTXTDPHOCOMC-UXLLHSPISA-N 1 2 330.472 3.671 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC001168244390 1037975989 /nfs/dbraw/zinc/97/59/89/1037975989.db2.gz NFTGENYPAGECBB-MRXNPFEDSA-N 1 2 331.456 3.906 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC001168244390 1037975993 /nfs/dbraw/zinc/97/59/93/1037975993.db2.gz NFTGENYPAGECBB-MRXNPFEDSA-N 1 2 331.456 3.906 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NC1CCCCC1 ZINC000540475645 1037986819 /nfs/dbraw/zinc/98/68/19/1037986819.db2.gz SABDRXKDFKUBKK-NWDGAFQWSA-N 1 2 326.843 3.967 20 0 EHADLO O=C(NCCc1cc2ccccc2o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000123616247 1038046616 /nfs/dbraw/zinc/04/66/16/1038046616.db2.gz ZMAWMXBNLCPSDS-UHFFFAOYSA-N 1 2 331.375 3.591 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000106875268 1038238294 /nfs/dbraw/zinc/23/82/94/1038238294.db2.gz KIPCHEYGMMAKMA-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000106875268 1038238309 /nfs/dbraw/zinc/23/83/09/1038238309.db2.gz KIPCHEYGMMAKMA-CYBMUJFWSA-N 1 2 331.485 3.954 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C)c(F)c2)s1 ZINC000106879365 1038241355 /nfs/dbraw/zinc/24/13/55/1038241355.db2.gz BPDLKHQGFDNVQO-GFCCVEGCSA-N 1 2 335.448 3.839 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C)c(F)c2)s1 ZINC000106879365 1038241369 /nfs/dbraw/zinc/24/13/69/1038241369.db2.gz BPDLKHQGFDNVQO-GFCCVEGCSA-N 1 2 335.448 3.839 20 0 EHADLO O=C(NCC1(c2cccc(F)c2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124861958 1038245263 /nfs/dbraw/zinc/24/52/63/1038245263.db2.gz DXTRGKGMJHPQIY-UHFFFAOYSA-N 1 2 349.409 3.532 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000378267161 1038338505 /nfs/dbraw/zinc/33/85/05/1038338505.db2.gz TWUDQWJLYZGPBX-OAHLLOKOSA-N 1 2 342.443 3.537 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCc2nsc3ccccc23)o1 ZINC000659936418 1038403409 /nfs/dbraw/zinc/40/34/09/1038403409.db2.gz RVOGLUMXQCZAHV-INIZCTEOSA-N 1 2 328.437 3.814 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2CCc2nsc3ccccc23)o1 ZINC000659936418 1038403415 /nfs/dbraw/zinc/40/34/15/1038403415.db2.gz RVOGLUMXQCZAHV-INIZCTEOSA-N 1 2 328.437 3.814 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CC2(C1)CCCCC2 ZINC000667112377 1038407715 /nfs/dbraw/zinc/40/77/15/1038407715.db2.gz DSHHNNOBVGEYFD-UHFFFAOYSA-N 1 2 342.483 3.818 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(C)[nH+]1 ZINC000667118392 1038441077 /nfs/dbraw/zinc/44/10/77/1038441077.db2.gz PSXSGUAHCBRPLN-YPMHNXCESA-N 1 2 345.365 3.580 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000924669065 1038442336 /nfs/dbraw/zinc/44/23/36/1038442336.db2.gz XVNFFUMDHLMCJL-SECBINFHSA-N 1 2 330.329 3.615 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)c(C)[nH+]1 ZINC000667118882 1038446907 /nfs/dbraw/zinc/44/69/07/1038446907.db2.gz ACEKIOGCLVJUBS-DLBZAZTESA-N 1 2 331.460 3.820 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181588051 1038450193 /nfs/dbraw/zinc/45/01/93/1038450193.db2.gz IPFCFYBEZYVGPQ-LBPRGKRZSA-N 1 2 347.386 3.845 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000659945050 1038463284 /nfs/dbraw/zinc/46/32/84/1038463284.db2.gz ZACHBPAOGAKMAA-KGLIPLIRSA-N 1 2 347.684 3.623 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000659945050 1038463287 /nfs/dbraw/zinc/46/32/87/1038463287.db2.gz ZACHBPAOGAKMAA-KGLIPLIRSA-N 1 2 347.684 3.623 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)n1 ZINC000538717635 1038487373 /nfs/dbraw/zinc/48/73/73/1038487373.db2.gz ODXUYIXAERUWAY-QFBILLFUSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)n1 ZINC000538717635 1038487378 /nfs/dbraw/zinc/48/73/78/1038487378.db2.gz ODXUYIXAERUWAY-QFBILLFUSA-N 1 2 326.440 3.751 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c(C)o1 ZINC000659963875 1038526594 /nfs/dbraw/zinc/52/65/94/1038526594.db2.gz ZXEZCTFAENLWQE-CYBMUJFWSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1nc(C2([NH2+]CCSc3ccc(F)cc3F)CCCC2)no1 ZINC000659966079 1038540705 /nfs/dbraw/zinc/54/07/05/1038540705.db2.gz SWYNKJLJNAMZFH-UHFFFAOYSA-N 1 2 339.411 3.807 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000378392669 1038577583 /nfs/dbraw/zinc/57/75/83/1038577583.db2.gz ZMAOIIBZOSFHFQ-HXUWFJFHSA-N 1 2 335.451 3.764 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000378392669 1038577585 /nfs/dbraw/zinc/57/75/85/1038577585.db2.gz ZMAOIIBZOSFHFQ-HXUWFJFHSA-N 1 2 335.451 3.764 20 0 EHADLO CCc1ccc(C2=CC[N@H+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000538957524 1038613521 /nfs/dbraw/zinc/61/35/21/1038613521.db2.gz HVYMUNXXDSQWIZ-UHFFFAOYSA-N 1 2 340.492 3.716 20 0 EHADLO CCc1ccc(C2=CC[N@@H+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000538957524 1038613523 /nfs/dbraw/zinc/61/35/23/1038613523.db2.gz HVYMUNXXDSQWIZ-UHFFFAOYSA-N 1 2 340.492 3.716 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000728748060 1038618560 /nfs/dbraw/zinc/61/85/60/1038618560.db2.gz CZEILYCJSAPHDH-MOPGFXCFSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC(C)(C)C ZINC000893237230 1038620313 /nfs/dbraw/zinc/62/03/13/1038620313.db2.gz FZSWWHFWOFMIIX-CQSZACIVSA-N 1 2 339.439 3.744 20 0 EHADLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCc1cccnc1 ZINC000538998327 1038638899 /nfs/dbraw/zinc/63/88/99/1038638899.db2.gz SVMJBGWWRMNKHO-GOSISDBHSA-N 1 2 346.858 3.904 20 0 EHADLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCc1cccnc1 ZINC000538998327 1038638904 /nfs/dbraw/zinc/63/89/04/1038638904.db2.gz SVMJBGWWRMNKHO-GOSISDBHSA-N 1 2 346.858 3.904 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000660004130 1038678553 /nfs/dbraw/zinc/67/85/53/1038678553.db2.gz XSDQZWKXFJWHNN-SCLBCKFNSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccsc2)O1 ZINC000660004130 1038678558 /nfs/dbraw/zinc/67/85/58/1038678558.db2.gz XSDQZWKXFJWHNN-SCLBCKFNSA-N 1 2 325.437 3.653 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462062613 1038738236 /nfs/dbraw/zinc/73/82/36/1038738236.db2.gz SWZQURIXPQRVIS-INIZCTEOSA-N 1 2 334.341 3.918 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000462062613 1038738238 /nfs/dbraw/zinc/73/82/38/1038738238.db2.gz SWZQURIXPQRVIS-INIZCTEOSA-N 1 2 334.341 3.918 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338375140 1038790785 /nfs/dbraw/zinc/79/07/85/1038790785.db2.gz FUFQKGLNXOCQRV-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000338375140 1038790802 /nfs/dbraw/zinc/79/08/02/1038790802.db2.gz FUFQKGLNXOCQRV-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000667564778 1038797515 /nfs/dbraw/zinc/79/75/15/1038797515.db2.gz ZUKUMYSMYGDNGW-GOSISDBHSA-N 1 2 343.446 3.618 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000667564778 1038797534 /nfs/dbraw/zinc/79/75/34/1038797534.db2.gz ZUKUMYSMYGDNGW-GOSISDBHSA-N 1 2 343.446 3.618 20 0 EHADLO COc1cc(C)c(CN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC000905306889 1038816230 /nfs/dbraw/zinc/81/62/30/1038816230.db2.gz NXZBSCQSGBLWNM-UHFFFAOYSA-N 1 2 342.439 3.605 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ncsc1C1CC1)c1ccc(Cl)cc1 ZINC000893262974 1038831806 /nfs/dbraw/zinc/83/18/06/1038831806.db2.gz OXQQKGLUUFWKLT-CYBMUJFWSA-N 1 2 335.860 3.915 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651538 1038832272 /nfs/dbraw/zinc/83/22/72/1038832272.db2.gz YPBDGHHMDRJIKP-SJKOYZFVSA-N 1 2 345.468 3.693 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651538 1038832296 /nfs/dbraw/zinc/83/22/96/1038832296.db2.gz YPBDGHHMDRJIKP-SJKOYZFVSA-N 1 2 345.468 3.693 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000923961219 1038834145 /nfs/dbraw/zinc/83/41/45/1038834145.db2.gz DRUPZFUYHWWNEF-UKRRQHHQSA-N 1 2 345.443 3.861 20 0 EHADLO Cc1oc(C(C)(C)C)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000923961219 1038834173 /nfs/dbraw/zinc/83/41/73/1038834173.db2.gz DRUPZFUYHWWNEF-UKRRQHHQSA-N 1 2 345.443 3.861 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000924730379 1038871153 /nfs/dbraw/zinc/87/11/53/1038871153.db2.gz RDYLQUDNHADAER-CZUORRHYSA-N 1 2 347.484 3.887 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000668823794 1038889613 /nfs/dbraw/zinc/88/96/13/1038889613.db2.gz LFULYJSEWACLKN-UGSOOPFHSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000668823794 1038889633 /nfs/dbraw/zinc/88/96/33/1038889633.db2.gz LFULYJSEWACLKN-UGSOOPFHSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000668823792 1038890709 /nfs/dbraw/zinc/89/07/09/1038890709.db2.gz LFULYJSEWACLKN-FZKQIMNGSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000668823792 1038890726 /nfs/dbraw/zinc/89/07/26/1038890726.db2.gz LFULYJSEWACLKN-FZKQIMNGSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000668824194 1038893130 /nfs/dbraw/zinc/89/31/30/1038893130.db2.gz OPXHIVMJZFXBFJ-DJJJIMSYSA-N 1 2 349.425 3.734 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000668824194 1038893151 /nfs/dbraw/zinc/89/31/51/1038893151.db2.gz OPXHIVMJZFXBFJ-DJJJIMSYSA-N 1 2 349.425 3.734 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000416697628 1038916935 /nfs/dbraw/zinc/91/69/35/1038916935.db2.gz VNQAQBKLRYCGMB-ZWKOTPCHSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(OCc3ccccc3)CC2)c(C)[nH+]1 ZINC000905539393 1038936263 /nfs/dbraw/zinc/93/62/63/1038936263.db2.gz VAERXCHSDFGPJB-UHFFFAOYSA-N 1 2 338.451 3.828 20 0 EHADLO C[C@H]1CCC[C@H](C)C1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000477859154 1038967616 /nfs/dbraw/zinc/96/76/16/1038967616.db2.gz LPCBJSRWUZZPHN-HOTGVXAUSA-N 1 2 344.503 3.696 20 0 EHADLO CN(C)[C@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccc(Cl)cc1 ZINC000552133993 1038996393 /nfs/dbraw/zinc/99/63/93/1038996393.db2.gz ZXLQFXAPYOJYEL-OAHLLOKOSA-N 1 2 340.801 3.716 20 0 EHADLO Cc1cc(C)c(-c2nnc(SCc3cc[nH+]c(N)c3)o2)c(C)c1 ZINC000195501082 1038997326 /nfs/dbraw/zinc/99/73/26/1038997326.db2.gz UKYVFJNYNOBPSF-UHFFFAOYSA-N 1 2 326.425 3.931 20 0 EHADLO Cc1ccccc1-c1csc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000668475707 1039032069 /nfs/dbraw/zinc/03/20/69/1039032069.db2.gz PLVKAAJMBOFTFP-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363937122 1039032675 /nfs/dbraw/zinc/03/26/75/1039032675.db2.gz GPYXRMUIAZYUJA-CYBMUJFWSA-N 1 2 331.375 3.984 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3ccc(C(F)(F)F)s3)CC2)c1 ZINC000432750431 1039044765 /nfs/dbraw/zinc/04/47/65/1039044765.db2.gz YUYOMESUEVDOLC-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000552228572 1039083603 /nfs/dbraw/zinc/08/36/03/1039083603.db2.gz DRHNSKFIACKGQD-WKILWMFISA-N 1 2 331.366 3.513 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776025 1039085778 /nfs/dbraw/zinc/08/57/78/1039085778.db2.gz BZRWTJHCVAQKLI-UHFFFAOYSA-N 1 2 346.377 3.626 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776025 1039085796 /nfs/dbraw/zinc/08/57/96/1039085796.db2.gz BZRWTJHCVAQKLI-UHFFFAOYSA-N 1 2 346.377 3.626 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H](C)C1 ZINC000543972820 1039123958 /nfs/dbraw/zinc/12/39/58/1039123958.db2.gz BRAPFLIWKCWPIA-ZHALLVOQSA-N 1 2 346.519 3.910 20 0 EHADLO c1csc(-c2cnc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)o2)c1 ZINC000554249486 1039127869 /nfs/dbraw/zinc/12/78/69/1039127869.db2.gz JZVROGNURKRTMK-HNNXBMFYSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2cnc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)o2)c1 ZINC000554249486 1039127877 /nfs/dbraw/zinc/12/78/77/1039127877.db2.gz JZVROGNURKRTMK-HNNXBMFYSA-N 1 2 341.436 3.589 20 0 EHADLO CC(=O)c1[nH]c(CC[NH+]2CCC(=Cc3cccc(F)c3)CC2)nc1C ZINC000660106931 1039144649 /nfs/dbraw/zinc/14/46/49/1039144649.db2.gz DKTIPVKQVSJFDJ-UHFFFAOYSA-N 1 2 341.430 3.782 20 0 EHADLO COc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)c(Cl)c1OC ZINC000432789514 1039185417 /nfs/dbraw/zinc/18/54/17/1039185417.db2.gz SNFGQAIVBRCOCS-UHFFFAOYSA-N 1 2 349.862 3.522 20 0 EHADLO CCc1ccccc1NC(=S)NC1CCN(c2cccc[nH+]2)CC1 ZINC000044083077 1039209827 /nfs/dbraw/zinc/20/98/27/1039209827.db2.gz RSIKAJZCHRWGHU-UHFFFAOYSA-N 1 2 340.496 3.599 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000108988849 1039287021 /nfs/dbraw/zinc/28/70/21/1039287021.db2.gz ARDXTFMAHRRLOC-UHFFFAOYSA-N 1 2 349.409 3.820 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485606769 1039288791 /nfs/dbraw/zinc/28/87/91/1039288791.db2.gz JHCHPGGNQRHNIK-WLRLJWMZSA-N 1 2 349.478 3.630 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnn(C(C)C)c2)C3)cc1 ZINC000488576687 1039289816 /nfs/dbraw/zinc/28/98/16/1039289816.db2.gz VYBHYVSSZDDHAJ-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnn(C(C)C)c2)C3)cc1 ZINC000488576687 1039289833 /nfs/dbraw/zinc/28/98/33/1039289833.db2.gz VYBHYVSSZDDHAJ-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485590903 1039292626 /nfs/dbraw/zinc/29/26/26/1039292626.db2.gz DXYCUEZPEAKSCU-IYWMVGAKSA-N 1 2 349.478 3.630 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000351825571 1039293426 /nfs/dbraw/zinc/29/34/26/1039293426.db2.gz ZFWQXYDYZDGXEA-AWEZNQCLSA-N 1 2 337.847 3.518 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000351825571 1039293438 /nfs/dbraw/zinc/29/34/38/1039293438.db2.gz ZFWQXYDYZDGXEA-AWEZNQCLSA-N 1 2 337.847 3.518 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCC(C)(C)C3)cn2c1 ZINC000478203599 1039299768 /nfs/dbraw/zinc/29/97/68/1039299768.db2.gz NWQHKKAZPJTJTB-MRXNPFEDSA-N 1 2 345.512 3.913 20 0 EHADLO CCC(CC)(OC)c1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000906119153 1039317854 /nfs/dbraw/zinc/31/78/54/1039317854.db2.gz NICFHRXQKCCIPL-UHFFFAOYSA-N 1 2 326.400 3.508 20 0 EHADLO Clc1ccccc1-c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)no1 ZINC000842147863 1039327650 /nfs/dbraw/zinc/32/76/50/1039327650.db2.gz MQFDQPJLNLZCSK-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1ccccc1-c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)no1 ZINC000842147863 1039327663 /nfs/dbraw/zinc/32/76/63/1039327663.db2.gz MQFDQPJLNLZCSK-INIZCTEOSA-N 1 2 348.830 3.722 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000488675731 1039335712 /nfs/dbraw/zinc/33/57/12/1039335712.db2.gz XINGKQMVDHPIKZ-FZKQIMNGSA-N 1 2 330.378 3.763 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000488675731 1039335726 /nfs/dbraw/zinc/33/57/26/1039335726.db2.gz XINGKQMVDHPIKZ-FZKQIMNGSA-N 1 2 330.378 3.763 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000364008226 1039360494 /nfs/dbraw/zinc/36/04/94/1039360494.db2.gz YYLYRTWTQIBWPI-KRWDZBQOSA-N 1 2 345.393 3.796 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000364008226 1039360509 /nfs/dbraw/zinc/36/05/09/1039360509.db2.gz YYLYRTWTQIBWPI-KRWDZBQOSA-N 1 2 345.393 3.796 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCCO1 ZINC000667648855 1039362974 /nfs/dbraw/zinc/36/29/74/1039362974.db2.gz BTNZRGAGEAUJIQ-BLLLJJGKSA-N 1 2 333.819 3.669 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000552570077 1039368148 /nfs/dbraw/zinc/36/81/48/1039368148.db2.gz VJYITHNMDIHRAO-KOLCDFICSA-N 1 2 328.243 3.971 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCOC[C@@H](C2CCC2)C1 ZINC000488728329 1039371689 /nfs/dbraw/zinc/37/16/89/1039371689.db2.gz BYSDFLDOYSOBCT-INIZCTEOSA-N 1 2 326.440 3.805 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2nnc(C(C)C)s2)c1C(=O)OC ZINC000419049591 1039383920 /nfs/dbraw/zinc/38/39/20/1039383920.db2.gz XLIZCUVBDDWYGQ-UHFFFAOYSA-N 1 2 349.456 3.683 20 0 EHADLO Cc1ccc(-c2csc(C[NH+]3CCC(O)(C(F)F)CC3)n2)cc1 ZINC000351832012 1039427394 /nfs/dbraw/zinc/42/73/94/1039427394.db2.gz DVBCCCGOMNUSPN-UHFFFAOYSA-N 1 2 338.423 3.711 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000478465515 1039474397 /nfs/dbraw/zinc/47/43/97/1039474397.db2.gz CPHWBGPXYYIQKN-ZDUSSCGKSA-N 1 2 349.425 3.908 20 0 EHADLO FC1(c2ccccc2)CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000432833772 1039509803 /nfs/dbraw/zinc/50/98/03/1039509803.db2.gz FSGXXLWHEKWSRI-UHFFFAOYSA-N 1 2 340.446 3.932 20 0 EHADLO FC1(c2ccccc2)CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000432833772 1039509811 /nfs/dbraw/zinc/50/98/11/1039509811.db2.gz FSGXXLWHEKWSRI-UHFFFAOYSA-N 1 2 340.446 3.932 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCCNc1cccc[nH+]1 ZINC000488987483 1039526484 /nfs/dbraw/zinc/52/64/84/1039526484.db2.gz WQOMOURYBRTMPH-IRXDYDNUSA-N 1 2 337.467 3.989 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc(C)c1F ZINC000432845204 1039539059 /nfs/dbraw/zinc/53/90/59/1039539059.db2.gz CLWCTVOPGBDORH-NSHDSACASA-N 1 2 340.240 3.789 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc2c(cc(C)cc2C)[nH]1 ZINC000478614794 1039567550 /nfs/dbraw/zinc/56/75/50/1039567550.db2.gz CJCVMMONBWITKG-UHFFFAOYSA-N 1 2 348.450 3.815 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000364059180 1039573395 /nfs/dbraw/zinc/57/33/95/1039573395.db2.gz RBSFRXOEVPQWDG-MRXNPFEDSA-N 1 2 347.418 3.842 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(n4cc[nH+]c4)CC1)(C3)C2 ZINC000906471946 1039578155 /nfs/dbraw/zinc/57/81/55/1039578155.db2.gz ZLTHJANIVHDGNM-BANKROOTSA-N 1 2 327.472 3.653 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907187 1039696062 /nfs/dbraw/zinc/69/60/62/1039696062.db2.gz MVSZSZBTUHMWAY-JKSUJKDBSA-N 1 2 325.456 3.724 20 0 EHADLO C[C@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000898907388 1039696099 /nfs/dbraw/zinc/69/60/99/1039696099.db2.gz VNLFSGHRIDEWBP-AWEZNQCLSA-N 1 2 333.863 3.657 20 0 EHADLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2Br)nc(C)n1 ZINC000660200131 1039716234 /nfs/dbraw/zinc/71/62/34/1039716234.db2.gz NSNQOSPQBVAOGX-UHFFFAOYSA-N 1 2 334.261 3.881 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c3cccnc13)CCO2 ZINC000489184111 1039716182 /nfs/dbraw/zinc/71/61/82/1039716182.db2.gz DQBFVANOCCSOLU-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1ccc(F)c3cccnc13)CCO2 ZINC000489184111 1039716196 /nfs/dbraw/zinc/71/61/96/1039716196.db2.gz DQBFVANOCCSOLU-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000007878453 1039729481 /nfs/dbraw/zinc/72/94/81/1039729481.db2.gz AVMXXJCUAKZDAK-ZDUSSCGKSA-N 1 2 330.453 3.705 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000007878453 1039729499 /nfs/dbraw/zinc/72/94/99/1039729499.db2.gz AVMXXJCUAKZDAK-ZDUSSCGKSA-N 1 2 330.453 3.705 20 0 EHADLO CS(=O)(=O)C1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553077668 1039758868 /nfs/dbraw/zinc/75/88/68/1039758868.db2.gz WAFUAPZEAHNULC-UHFFFAOYSA-N 1 2 338.860 3.656 20 0 EHADLO Cc1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000511625910 1039807500 /nfs/dbraw/zinc/80/75/00/1039807500.db2.gz HKFUYNGCPHRGED-UHFFFAOYSA-N 1 2 341.263 3.991 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(C)[nH+]1 ZINC000906988796 1039868361 /nfs/dbraw/zinc/86/83/61/1039868361.db2.gz PXJSYNGLRGSHOR-BBRMVZONSA-N 1 2 330.453 3.671 20 0 EHADLO Cc1ccnc(N)c1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000893969329 1039902185 /nfs/dbraw/zinc/90/21/85/1039902185.db2.gz LIPYOZQCFMSVFQ-NXEZZACHSA-N 1 2 341.299 3.535 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)ccc1-c1ccncc1 ZINC000553241127 1039907752 /nfs/dbraw/zinc/90/77/52/1039907752.db2.gz POVBSBWYYTYDEV-QGZVFWFLSA-N 1 2 332.407 3.839 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cccc(OC3CC3)c2F)c(C)[nH+]1 ZINC000912452070 1039913897 /nfs/dbraw/zinc/91/38/97/1039913897.db2.gz UPHYYAJNUBCFMX-UHFFFAOYSA-N 1 2 328.387 3.617 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)F)CC2)c(Cl)c1 ZINC000486136909 1039923412 /nfs/dbraw/zinc/92/34/12/1039923412.db2.gz MWJZSYFRORFNDN-LLVKDONJSA-N 1 2 330.806 3.953 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c(C)[nH+]1 ZINC000907091266 1039926417 /nfs/dbraw/zinc/92/64/17/1039926417.db2.gz PZDOLTBEXISQQI-GOSISDBHSA-N 1 2 340.467 3.539 20 0 EHADLO CN(c1cc[nH+]c2c(Br)ccc(F)c12)[C@@H]1CCCOC1 ZINC000553264073 1039937065 /nfs/dbraw/zinc/93/70/65/1039937065.db2.gz AQUDCMAXZNOMFN-SNVBAGLBSA-N 1 2 339.208 3.752 20 0 EHADLO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000364152176 1039983972 /nfs/dbraw/zinc/98/39/72/1039983972.db2.gz XEVSPHQHTLHBMV-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000364152176 1039983985 /nfs/dbraw/zinc/98/39/85/1039983985.db2.gz XEVSPHQHTLHBMV-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO Cc1ccc(CC2C[NH+](Cc3ccc(Br)cn3)C2)cc1 ZINC000668608865 1040083453 /nfs/dbraw/zinc/08/34/53/1040083453.db2.gz WVUIFKNZKWCZCD-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cc(C)n(C)n2)c2ccc(C)cc2)cc1 ZINC000486457164 1040140564 /nfs/dbraw/zinc/14/05/64/1040140564.db2.gz FYEDQEJVWXUJDP-NRFANRHFSA-N 1 2 335.451 3.925 20 0 EHADLO COc1nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc2ccccc21 ZINC000162849555 1040155957 /nfs/dbraw/zinc/15/59/57/1040155957.db2.gz RKIWCTWBGPUQTI-UHFFFAOYSA-N 1 2 344.374 3.886 20 0 EHADLO C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCO1 ZINC000907773959 1040162903 /nfs/dbraw/zinc/16/29/03/1040162903.db2.gz VQFXHYRGSIOTQQ-KBXCAEBGSA-N 1 2 339.439 3.640 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907813436 1040178086 /nfs/dbraw/zinc/17/80/86/1040178086.db2.gz BOOWBESXGUNIJB-OAHLLOKOSA-N 1 2 347.503 3.636 20 0 EHADLO CCC(C)(C)OCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907813436 1040178103 /nfs/dbraw/zinc/17/81/03/1040178103.db2.gz BOOWBESXGUNIJB-OAHLLOKOSA-N 1 2 347.503 3.636 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1Cc2ccccc21 ZINC000907815903 1040183390 /nfs/dbraw/zinc/18/33/90/1040183390.db2.gz OFKPSGLDBIMAML-FUHWJXTLSA-N 1 2 349.478 3.771 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1Cc2ccccc21 ZINC000907815903 1040183404 /nfs/dbraw/zinc/18/34/04/1040183404.db2.gz OFKPSGLDBIMAML-FUHWJXTLSA-N 1 2 349.478 3.771 20 0 EHADLO O=C(C=C1CCCC1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816503 1040184274 /nfs/dbraw/zinc/18/42/74/1040184274.db2.gz VDPZWYMIVPKAIX-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO O=C(C=C1CCCC1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816503 1040184279 /nfs/dbraw/zinc/18/42/79/1040184279.db2.gz VDPZWYMIVPKAIX-INIZCTEOSA-N 1 2 327.472 3.931 20 0 EHADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000584878225 1040187261 /nfs/dbraw/zinc/18/72/61/1040187261.db2.gz MGZXEUCPDLGUEL-BRWVUGGUSA-N 1 2 346.519 3.772 20 0 EHADLO Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(C)c1 ZINC000156705927 1040189816 /nfs/dbraw/zinc/18/98/16/1040189816.db2.gz WWNKXLMZPFAVID-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@@H]1C ZINC000432928607 1040201703 /nfs/dbraw/zinc/20/17/03/1040201703.db2.gz SXKSAHQVNAGKAE-ONGXEEELSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@@H]1C ZINC000432928607 1040201708 /nfs/dbraw/zinc/20/17/08/1040201708.db2.gz SXKSAHQVNAGKAE-ONGXEEELSA-N 1 2 334.218 3.764 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000668632674 1040226505 /nfs/dbraw/zinc/22/65/05/1040226505.db2.gz ZRLSQRZWSMQCMC-RYUDHWBXSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000668632674 1040226523 /nfs/dbraw/zinc/22/65/23/1040226523.db2.gz ZRLSQRZWSMQCMC-RYUDHWBXSA-N 1 2 334.407 3.943 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C)c(OCC2CCOCC2)c1 ZINC000417810613 1040244489 /nfs/dbraw/zinc/24/44/89/1040244489.db2.gz NQDYJGFYJWYSFJ-UHFFFAOYSA-N 1 2 329.444 3.629 20 0 EHADLO CCS[C@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016361 1040265912 /nfs/dbraw/zinc/26/59/12/1040265912.db2.gz PVRWSCOZKPFPNG-HOTGVXAUSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@H]1CCCC[N@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016361 1040265931 /nfs/dbraw/zinc/26/59/31/1040265931.db2.gz PVRWSCOZKPFPNG-HOTGVXAUSA-N 1 2 325.449 3.647 20 0 EHADLO Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(F)F)cc3)nc12 ZINC000549866274 1040270791 /nfs/dbraw/zinc/27/07/91/1040270791.db2.gz NIJDBDJWZGHYNU-UHFFFAOYSA-N 1 2 345.393 3.967 20 0 EHADLO Cc1cccc([C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C)c1 ZINC000651454144 1040313483 /nfs/dbraw/zinc/31/34/83/1040313483.db2.gz UDHVTLQVQUYQGO-HXUWFJFHSA-N 1 2 339.483 3.974 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000908365102 1040413514 /nfs/dbraw/zinc/41/35/14/1040413514.db2.gz UGQHNMAAMNEELP-GUYCJALGSA-N 1 2 330.453 3.501 20 0 EHADLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000364200795 1040422848 /nfs/dbraw/zinc/42/28/48/1040422848.db2.gz WUTXCXOOTXYSNQ-UHFFFAOYSA-N 1 2 345.874 3.509 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541781 1040434001 /nfs/dbraw/zinc/43/40/01/1040434001.db2.gz PDVDAXHTZNAZRY-CYBMUJFWSA-N 1 2 334.489 3.560 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541781 1040434009 /nfs/dbraw/zinc/43/40/09/1040434009.db2.gz PDVDAXHTZNAZRY-CYBMUJFWSA-N 1 2 334.489 3.560 20 0 EHADLO CCCCC[N@H+](Cc1nnc2n1CCCC2)Cc1ccc(F)cc1 ZINC000486799778 1040460574 /nfs/dbraw/zinc/46/05/74/1040460574.db2.gz IEPMMOGSRMEHKW-UHFFFAOYSA-N 1 2 330.451 3.946 20 0 EHADLO CCCCC[N@@H+](Cc1nnc2n1CCCC2)Cc1ccc(F)cc1 ZINC000486799778 1040460584 /nfs/dbraw/zinc/46/05/84/1040460584.db2.gz IEPMMOGSRMEHKW-UHFFFAOYSA-N 1 2 330.451 3.946 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2cc(Cl)ccc2s1 ZINC000668686424 1040463313 /nfs/dbraw/zinc/46/33/13/1040463313.db2.gz NOBDDBUIBCYQRI-UHFFFAOYSA-N 1 2 333.844 3.961 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614190539 1040469858 /nfs/dbraw/zinc/46/98/58/1040469858.db2.gz ZNLMDGBWYKMCKO-UHFFFAOYSA-N 1 2 341.499 3.896 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030486 1040500798 /nfs/dbraw/zinc/50/07/98/1040500798.db2.gz WFBWILSLVIXRSA-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030486 1040500815 /nfs/dbraw/zinc/50/08/15/1040500815.db2.gz WFBWILSLVIXRSA-WAIKUNEKSA-N 1 2 329.465 3.822 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1F ZINC000512682479 1040508606 /nfs/dbraw/zinc/50/86/06/1040508606.db2.gz GTXBEALEMIBDBI-LJQANCHMSA-N 1 2 331.362 3.692 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1F ZINC000512682479 1040508621 /nfs/dbraw/zinc/50/86/21/1040508621.db2.gz GTXBEALEMIBDBI-LJQANCHMSA-N 1 2 331.362 3.692 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)CC[S@]1=O ZINC000433040493 1040525306 /nfs/dbraw/zinc/52/53/06/1040525306.db2.gz QVFQZLPITSAIRL-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)CC[S@]1=O ZINC000433040493 1040525320 /nfs/dbraw/zinc/52/53/20/1040525320.db2.gz QVFQZLPITSAIRL-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[S@@](=O)CC3)o2)cc1 ZINC000433042350 1040533095 /nfs/dbraw/zinc/53/30/95/1040533095.db2.gz GBAKFLQWPZGBKR-CMJOXMDJSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[S@@](=O)CC3)o2)cc1 ZINC000433042350 1040533111 /nfs/dbraw/zinc/53/31/11/1040533111.db2.gz GBAKFLQWPZGBKR-CMJOXMDJSA-N 1 2 331.481 3.852 20 0 EHADLO CCCCC1CCC(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000411189642 1040543061 /nfs/dbraw/zinc/54/30/61/1040543061.db2.gz XIHDWCVOQAMRCG-UHFFFAOYSA-N 1 2 345.487 3.811 20 0 EHADLO COc1ccc2cc(C[N@@H+]3CCNC(=O)[C@@H]3c3ccccc3)ccc2c1 ZINC000512697138 1040544367 /nfs/dbraw/zinc/54/43/67/1040544367.db2.gz NDUAGHYPLQPJGX-NRFANRHFSA-N 1 2 346.430 3.522 20 0 EHADLO COc1ccc2cc(C[N@H+]3CCNC(=O)[C@@H]3c3ccccc3)ccc2c1 ZINC000512697138 1040544383 /nfs/dbraw/zinc/54/43/83/1040544383.db2.gz NDUAGHYPLQPJGX-NRFANRHFSA-N 1 2 346.430 3.522 20 0 EHADLO C[C@@H](CN=c1[nH]c2cc(Cl)cc(Cl)c2o1)Cn1cc[nH+]c1 ZINC000433052053 1040565881 /nfs/dbraw/zinc/56/58/81/1040565881.db2.gz KMRSTEPEOHJYFG-VIFPVBQESA-N 1 2 325.199 3.501 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047185660 1040662473 /nfs/dbraw/zinc/66/24/73/1040662473.db2.gz HXJDSUKBVYBCLL-AWEZNQCLSA-N 1 2 339.826 3.887 20 0 EHADLO CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000490661666 1040665077 /nfs/dbraw/zinc/66/50/77/1040665077.db2.gz KCAZFDQPVZGDJQ-MRXNPFEDSA-N 1 2 348.450 3.752 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278830642 1040665306 /nfs/dbraw/zinc/66/53/06/1040665306.db2.gz DBHBSXCJSJYXRU-BDAKNGLRSA-N 1 2 337.411 3.506 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)n1 ZINC000481353836 1040730888 /nfs/dbraw/zinc/73/08/88/1040730888.db2.gz WJKWSNPFAVCIMB-SJKOYZFVSA-N 1 2 337.851 3.931 20 0 EHADLO COc1ccc([C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1F ZINC000913341912 1040738579 /nfs/dbraw/zinc/73/85/79/1040738579.db2.gz PNFPXZQOVSRZSA-MRXNPFEDSA-N 1 2 342.414 3.784 20 0 EHADLO C[C@@H]1CN(c2ccccc2C[NH2+]CC(F)(F)C(C)(C)C)CCO1 ZINC000668748254 1040754165 /nfs/dbraw/zinc/75/41/65/1040754165.db2.gz RMZXQFMHTQZGEM-CQSZACIVSA-N 1 2 326.431 3.683 20 0 EHADLO Cc1ncc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC000600172359 1040761686 /nfs/dbraw/zinc/76/16/86/1040761686.db2.gz AHIYENWIJAXXBY-SJORKVTESA-N 1 2 328.412 3.643 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H](C2CCCC2)C1 ZINC000582115588 1040819167 /nfs/dbraw/zinc/81/91/67/1040819167.db2.gz ULLWBGHBEFYBHO-SFHVURJKSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000509794101 1040845482 /nfs/dbraw/zinc/84/54/82/1040845482.db2.gz PUXXGOXCAZMENM-KRWDZBQOSA-N 1 2 333.435 3.932 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@H+]([C@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000668769919 1040863966 /nfs/dbraw/zinc/86/39/66/1040863966.db2.gz KICJMRALOHBPCW-LAUBAEHRSA-N 1 2 338.499 3.902 20 0 EHADLO CC(C)(C)c1nnc2n1CC[N@@H+]([C@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000668769919 1040863980 /nfs/dbraw/zinc/86/39/80/1040863980.db2.gz KICJMRALOHBPCW-LAUBAEHRSA-N 1 2 338.499 3.902 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C2CC2)o1 ZINC000613740747 1040906021 /nfs/dbraw/zinc/90/60/21/1040906021.db2.gz WXXKJVFCMSJHII-NRFANRHFSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C2CC2)o1 ZINC000613740747 1040906042 /nfs/dbraw/zinc/90/60/42/1040906042.db2.gz WXXKJVFCMSJHII-NRFANRHFSA-N 1 2 338.451 3.820 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142639679 1040961959 /nfs/dbraw/zinc/96/19/59/1040961959.db2.gz SYFAYRWFZXLQPU-INIZCTEOSA-N 1 2 329.396 3.550 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142639679 1040961984 /nfs/dbraw/zinc/96/19/84/1040961984.db2.gz SYFAYRWFZXLQPU-INIZCTEOSA-N 1 2 329.396 3.550 20 0 EHADLO COCCCN(c1ccc(OC(C)C)cc1C)c1[nH+]cccc1N ZINC001211810326 1040982349 /nfs/dbraw/zinc/98/23/49/1040982349.db2.gz POQZBVCXPGGDHD-UHFFFAOYSA-N 1 2 329.444 3.934 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC(C)(C)[C@H]3c3ccccc3)[nH+]c12 ZINC000586754853 1040999188 /nfs/dbraw/zinc/99/91/88/1040999188.db2.gz GPBUUNVBMSXNLO-LJQANCHMSA-N 1 2 333.435 3.795 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(F)ccc3Br)ccn12 ZINC001127030042 1041023520 /nfs/dbraw/zinc/02/35/20/1041023520.db2.gz OISUWDATAXHOMN-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000481564272 1041061308 /nfs/dbraw/zinc/06/13/08/1041061308.db2.gz OSHXQGANWPDNHP-KXBFYZLASA-N 1 2 329.415 3.612 20 0 EHADLO O[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1c(F)cccc1Cl ZINC000783257035 1041075283 /nfs/dbraw/zinc/07/52/83/1041075283.db2.gz ZCBCEDZJANYJLW-RDJZCZTQSA-N 1 2 345.805 3.615 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000487836060 1041138719 /nfs/dbraw/zinc/13/87/19/1041138719.db2.gz DYKNQYAZGSKOHK-IZBJGVDFSA-N 1 2 349.478 3.559 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2ccccc21 ZINC001143611186 1041143735 /nfs/dbraw/zinc/14/37/35/1041143735.db2.gz TZNRWNPTPOCVDH-INIZCTEOSA-N 1 2 331.362 3.546 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2ccccc21 ZINC001143611186 1041143744 /nfs/dbraw/zinc/14/37/44/1041143744.db2.gz TZNRWNPTPOCVDH-INIZCTEOSA-N 1 2 331.362 3.546 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)C2 ZINC000571041413 1041155359 /nfs/dbraw/zinc/15/53/59/1041155359.db2.gz CDDBXBKMQRVTBU-QXSJWSMHSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000571041413 1041155368 /nfs/dbraw/zinc/15/53/68/1041155368.db2.gz CDDBXBKMQRVTBU-QXSJWSMHSA-N 1 2 331.504 3.969 20 0 EHADLO Cc1ccc([C@H](CCn2cncn2)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000571073235 1041176009 /nfs/dbraw/zinc/17/60/09/1041176009.db2.gz KERQMMBTINVYOO-FQEVSTJZSA-N 1 2 333.439 3.798 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000487972966 1041218021 /nfs/dbraw/zinc/21/80/21/1041218021.db2.gz RDBFPVJCIRZVFA-CYBMUJFWSA-N 1 2 325.387 3.976 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000487972966 1041218026 /nfs/dbraw/zinc/21/80/26/1041218026.db2.gz RDBFPVJCIRZVFA-CYBMUJFWSA-N 1 2 325.387 3.976 20 0 EHADLO Brc1cnc(C[NH+]2CCCCCC2)c(Br)c1 ZINC000481684255 1041250619 /nfs/dbraw/zinc/25/06/19/1041250619.db2.gz GTYWKJZMIOMLHK-UHFFFAOYSA-N 1 2 348.082 3.983 20 0 EHADLO C[C@H](CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)n1cc[nH+]c1 ZINC000571288219 1041255704 /nfs/dbraw/zinc/25/57/04/1041255704.db2.gz SXVRJCAJMVAZAR-HZPDHXFCSA-N 1 2 334.423 3.774 20 0 EHADLO O=C(C=C1CCSCC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000092898090 1041353597 /nfs/dbraw/zinc/35/35/97/1041353597.db2.gz YOXXAKCPQQRJKR-UHFFFAOYSA-N 1 2 345.512 3.532 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000508821230 1041356335 /nfs/dbraw/zinc/35/63/35/1041356335.db2.gz GVWYOIHFGRGMMI-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2CCc2cccc(Br)c2)n1 ZINC001207510675 1041356568 /nfs/dbraw/zinc/35/65/68/1041356568.db2.gz WQCOSTANPKEPPK-AWEZNQCLSA-N 1 2 336.233 3.520 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2CCc2cccc(Br)c2)n1 ZINC001207510675 1041356579 /nfs/dbraw/zinc/35/65/79/1041356579.db2.gz WQCOSTANPKEPPK-AWEZNQCLSA-N 1 2 336.233 3.520 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000500935937 1041368476 /nfs/dbraw/zinc/36/84/76/1041368476.db2.gz GJQAXVXRZWZWTN-UHFFFAOYSA-N 1 2 331.419 3.857 20 0 EHADLO FC(F)(F)Oc1ccccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000513008805 1041381909 /nfs/dbraw/zinc/38/19/09/1041381909.db2.gz KXWSGMYPNDHKCA-UHFFFAOYSA-N 1 2 337.345 3.614 20 0 EHADLO COCC[C@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274747 1041388297 /nfs/dbraw/zinc/38/82/97/1041388297.db2.gz IQAXOPRJAFLOPK-RHSMWYFYSA-N 1 2 339.863 3.693 20 0 EHADLO COCC[C@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccccc2Cl)C1 ZINC000467274747 1041388305 /nfs/dbraw/zinc/38/83/05/1041388305.db2.gz IQAXOPRJAFLOPK-RHSMWYFYSA-N 1 2 339.863 3.693 20 0 EHADLO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC000513039450 1041410572 /nfs/dbraw/zinc/41/05/72/1041410572.db2.gz AOTYVZYPVYALHT-IBGZPJMESA-N 1 2 335.394 3.834 20 0 EHADLO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC000513039450 1041410578 /nfs/dbraw/zinc/41/05/78/1041410578.db2.gz AOTYVZYPVYALHT-IBGZPJMESA-N 1 2 335.394 3.834 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCC(F)CC1 ZINC000660454678 1041440341 /nfs/dbraw/zinc/44/03/41/1041440341.db2.gz ASRRFNXCPXAMTL-HPUBIQBYSA-N 1 2 344.434 3.588 20 0 EHADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCC(F)CC1 ZINC000660454679 1041440688 /nfs/dbraw/zinc/44/06/88/1041440688.db2.gz ASRRFNXCPXAMTL-UQPPLGOBSA-N 1 2 344.434 3.588 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nc(-c2ccsc2)ns1)c1ccccc1 ZINC000109695589 1041463645 /nfs/dbraw/zinc/46/36/45/1041463645.db2.gz WTMDQDCVDYDYAD-CYBMUJFWSA-N 1 2 344.465 3.508 20 0 EHADLO CCN(CC1CCC1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000432091433 1041581577 /nfs/dbraw/zinc/58/15/77/1041581577.db2.gz OEUJCVJQAWQCFF-INIZCTEOSA-N 1 2 345.487 3.734 20 0 EHADLO Cc1[nH+]c2c(n1[C@H]1CCN(Cc3nc(C4CC4)cs3)C1)CCCC2 ZINC000432102838 1041593956 /nfs/dbraw/zinc/59/39/56/1041593956.db2.gz MXQCXKSDFACCSC-HNNXBMFYSA-N 1 2 342.512 3.851 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ncccc2C)sc1Br ZINC001176897184 1133013677 /nfs/dbraw/zinc/01/36/77/1133013677.db2.gz KKUCVQHHEWXNKG-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Clc1cccc([C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)c1 ZINC000432128639 1041629505 /nfs/dbraw/zinc/62/95/05/1041629505.db2.gz HFQBHIIVBGKPEY-OAHLLOKOSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1cccc([C@@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)c1 ZINC000432128639 1041629507 /nfs/dbraw/zinc/62/95/07/1041629507.db2.gz HFQBHIIVBGKPEY-OAHLLOKOSA-N 1 2 328.847 3.724 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)s1 ZINC000511838792 1041678293 /nfs/dbraw/zinc/67/82/93/1041678293.db2.gz QRVUJXFYPNSWBQ-MAUKXSAKSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)s1 ZINC000511838792 1041678299 /nfs/dbraw/zinc/67/82/99/1041678299.db2.gz QRVUJXFYPNSWBQ-MAUKXSAKSA-N 1 2 345.512 3.951 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000026323462 1041690223 /nfs/dbraw/zinc/69/02/23/1041690223.db2.gz ZEFMXDDGINDKOU-UHFFFAOYSA-N 1 2 329.403 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000026323462 1041690226 /nfs/dbraw/zinc/69/02/26/1041690226.db2.gz ZEFMXDDGINDKOU-UHFFFAOYSA-N 1 2 329.403 3.782 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000660586902 1041706819 /nfs/dbraw/zinc/70/68/19/1041706819.db2.gz LYXANGQMYKMEHX-CYBMUJFWSA-N 1 2 345.752 3.724 20 0 EHADLO Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000660586902 1041706820 /nfs/dbraw/zinc/70/68/20/1041706820.db2.gz LYXANGQMYKMEHX-CYBMUJFWSA-N 1 2 345.752 3.724 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NCc3cc(C)n(C)n3)ccc21 ZINC001167770385 1041717203 /nfs/dbraw/zinc/71/72/03/1041717203.db2.gz YRHUJRVUARPHBO-UHFFFAOYSA-N 1 2 347.422 3.688 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000893403508 1041734485 /nfs/dbraw/zinc/73/44/85/1041734485.db2.gz SEHVONRCHMXTAS-CQSZACIVSA-N 1 2 340.489 3.952 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000893403508 1041734491 /nfs/dbraw/zinc/73/44/91/1041734491.db2.gz SEHVONRCHMXTAS-CQSZACIVSA-N 1 2 340.489 3.952 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCO[C@H]1CC1(F)F ZINC000660704638 1041778632 /nfs/dbraw/zinc/77/86/32/1041778632.db2.gz BAJIVTXJWDOXCQ-ZANVPECISA-N 1 2 329.778 3.633 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000660704638 1041778641 /nfs/dbraw/zinc/77/86/41/1041778641.db2.gz BAJIVTXJWDOXCQ-ZANVPECISA-N 1 2 329.778 3.633 20 0 EHADLO COc1ccc([C@H](C)C[N@H+](C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763897 1041811587 /nfs/dbraw/zinc/81/15/87/1041811587.db2.gz GZZPKVBDIASOLN-DNVCBOLYSA-N 1 2 336.439 3.638 20 0 EHADLO COc1ccc([C@H](C)C[N@@H+](C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763897 1041811592 /nfs/dbraw/zinc/81/15/92/1041811592.db2.gz GZZPKVBDIASOLN-DNVCBOLYSA-N 1 2 336.439 3.638 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)o1 ZINC000660854587 1041845941 /nfs/dbraw/zinc/84/59/41/1041845941.db2.gz ZLLAXIDCKNRKPG-UHFFFAOYSA-N 1 2 339.443 3.524 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)[nH]1 ZINC000660883539 1041861163 /nfs/dbraw/zinc/86/11/63/1041861163.db2.gz OBDQWORHJGTOAB-LBPRGKRZSA-N 1 2 345.516 3.643 20 0 EHADLO CCC(CC)CCCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660952454 1041885826 /nfs/dbraw/zinc/88/58/26/1041885826.db2.gz OTEJACZCSXYBEV-KRWDZBQOSA-N 1 2 332.492 3.518 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc2cnccc2o1)c1nc(-c2cccnc2)no1 ZINC000651751073 1042000473 /nfs/dbraw/zinc/00/04/73/1042000473.db2.gz JTNQUOCMJLZJJS-KRWDZBQOSA-N 1 2 349.394 3.760 20 0 EHADLO CN(C[C@H]1CC1(C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000661246667 1042029689 /nfs/dbraw/zinc/02/96/89/1042029689.db2.gz FEHJSJWOCFJRRY-CYBMUJFWSA-N 1 2 346.862 3.713 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(Cl)c1 ZINC000651789019 1042035630 /nfs/dbraw/zinc/03/56/30/1042035630.db2.gz XRHHQFDZUJCYLL-CYBMUJFWSA-N 1 2 341.846 3.988 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)cc(C)[nH+]1 ZINC000661334905 1042065618 /nfs/dbraw/zinc/06/56/18/1042065618.db2.gz XBBPYWWIJLKUOO-OAHLLOKOSA-N 1 2 329.419 3.576 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1cscn1 ZINC000661421986 1042113679 /nfs/dbraw/zinc/11/36/79/1042113679.db2.gz IBFYOIXWBSKUTO-AUUYWEPGSA-N 1 2 343.496 3.841 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000661447229 1042123937 /nfs/dbraw/zinc/12/39/37/1042123937.db2.gz USPXLTAODXWSOJ-IBGZPJMESA-N 1 2 342.414 3.652 20 0 EHADLO O=C(C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000661447229 1042123943 /nfs/dbraw/zinc/12/39/43/1042123943.db2.gz USPXLTAODXWSOJ-IBGZPJMESA-N 1 2 342.414 3.652 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1F ZINC000661486189 1042143933 /nfs/dbraw/zinc/14/39/33/1042143933.db2.gz UKEVLDZMFFCRLV-LJQANCHMSA-N 1 2 339.414 3.560 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514932 1042161623 /nfs/dbraw/zinc/16/16/23/1042161623.db2.gz VIDIIIYTWSXEJR-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514932 1042161629 /nfs/dbraw/zinc/16/16/29/1042161629.db2.gz VIDIIIYTWSXEJR-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO COc1cncc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000343881078 1042314794 /nfs/dbraw/zinc/31/47/94/1042314794.db2.gz STFJVTCEFFIJCT-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cncc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000343881078 1042314801 /nfs/dbraw/zinc/31/48/01/1042314801.db2.gz STFJVTCEFFIJCT-JXFKEZNVSA-N 1 2 326.440 3.669 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1cccc(F)c1)c1nc2ccccc2s1 ZINC000051378489 1042354520 /nfs/dbraw/zinc/35/45/20/1042354520.db2.gz YEKAUTRCOGPQSC-UHFFFAOYSA-N 1 2 343.427 3.530 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1cccc(F)c1)c1nc2ccccc2s1 ZINC000051378489 1042354526 /nfs/dbraw/zinc/35/45/26/1042354526.db2.gz YEKAUTRCOGPQSC-UHFFFAOYSA-N 1 2 343.427 3.530 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1cc(F)ccc1OC(F)F)CC2 ZINC000661961091 1042434005 /nfs/dbraw/zinc/43/40/05/1042434005.db2.gz MEIGPXAGSKYCMV-UHFFFAOYSA-N 1 2 327.346 3.762 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000278854050 1042444113 /nfs/dbraw/zinc/44/41/13/1042444113.db2.gz RQBNYFXINOBSBP-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000278854050 1042444117 /nfs/dbraw/zinc/44/41/17/1042444117.db2.gz RQBNYFXINOBSBP-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO Fc1ccccc1-c1cnc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)o1 ZINC000661997003 1042451547 /nfs/dbraw/zinc/45/15/47/1042451547.db2.gz MKMBHQJQXYNDTG-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1ccccc1-c1cnc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)o1 ZINC000661997003 1042451549 /nfs/dbraw/zinc/45/15/49/1042451549.db2.gz MKMBHQJQXYNDTG-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO C[C@@H]1[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCOC1(C)C ZINC000544610837 1042480175 /nfs/dbraw/zinc/48/01/75/1042480175.db2.gz AQVREBQKRDZMBU-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO C[C@@H]1[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCOC1(C)C ZINC000544610837 1042480179 /nfs/dbraw/zinc/48/01/79/1042480179.db2.gz AQVREBQKRDZMBU-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)CC2CC2)cs1 ZINC000164880485 1042541720 /nfs/dbraw/zinc/54/17/20/1042541720.db2.gz ODCFYEZTAPZQDO-UHFFFAOYSA-N 1 2 345.468 3.678 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)CC2CC2)cs1 ZINC000164880485 1042541723 /nfs/dbraw/zinc/54/17/23/1042541723.db2.gz ODCFYEZTAPZQDO-UHFFFAOYSA-N 1 2 345.468 3.678 20 0 EHADLO C[N@H+](Cc1ccsc1)Cc1cn2cc(Br)ccc2n1 ZINC000051455395 1042680166 /nfs/dbraw/zinc/68/01/66/1042680166.db2.gz HRDANEJPFFMGOE-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@@H+](Cc1ccsc1)Cc1cn2cc(Br)ccc2n1 ZINC000051455395 1042680171 /nfs/dbraw/zinc/68/01/71/1042680171.db2.gz HRDANEJPFFMGOE-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000662331310 1042685761 /nfs/dbraw/zinc/68/57/61/1042685761.db2.gz LQJKHKLDLQXLKS-SHPPYHEDSA-N 1 2 341.455 3.924 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000662331310 1042685766 /nfs/dbraw/zinc/68/57/66/1042685766.db2.gz LQJKHKLDLQXLKS-SHPPYHEDSA-N 1 2 341.455 3.924 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(C2CC2)c2ccccc21 ZINC000186771575 1042705726 /nfs/dbraw/zinc/70/57/26/1042705726.db2.gz GOBJBYBNRQQHNA-UHFFFAOYSA-N 1 2 344.418 3.502 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000663337989 1042717099 /nfs/dbraw/zinc/71/70/99/1042717099.db2.gz ABUAFRFFTXCLNO-QGZVFWFLSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000663337989 1042717105 /nfs/dbraw/zinc/71/71/05/1042717105.db2.gz ABUAFRFFTXCLNO-QGZVFWFLSA-N 1 2 340.471 3.781 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000159300548 1042815375 /nfs/dbraw/zinc/81/53/75/1042815375.db2.gz BCHVNXMTAJYGPM-SFHVURJKSA-N 1 2 347.462 3.702 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278880833 1042820406 /nfs/dbraw/zinc/82/04/06/1042820406.db2.gz GJLYUYYLNLIPLO-VXGBXAGGSA-N 1 2 335.860 3.518 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@H](CCO)c2ccccc2)n1 ZINC000075899375 1042844047 /nfs/dbraw/zinc/84/40/47/1042844047.db2.gz AIBXBLJSSKXKNI-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)[C@H](CCO)c2ccccc2)n1 ZINC000075899375 1042844054 /nfs/dbraw/zinc/84/40/54/1042844054.db2.gz AIBXBLJSSKXKNI-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547179 1042854972 /nfs/dbraw/zinc/85/49/72/1042854972.db2.gz UMSMHUHRHPMXGD-AWEZNQCLSA-N 1 2 336.505 3.639 20 0 EHADLO CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547179 1042854976 /nfs/dbraw/zinc/85/49/76/1042854976.db2.gz UMSMHUHRHPMXGD-AWEZNQCLSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1[nH]c(CN2CCC[C@@H]2c2ccc(Br)cn2)[nH+]c1C ZINC000628305671 1042905665 /nfs/dbraw/zinc/90/56/65/1042905665.db2.gz ONUBQXZGQOYJNB-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1F ZINC000165877260 1042905857 /nfs/dbraw/zinc/90/58/57/1042905857.db2.gz XYJSHUADKDPKQV-XEZPLFJOSA-N 1 2 348.397 3.515 20 0 EHADLO COc1ccccc1CN1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000303209804 1042917760 /nfs/dbraw/zinc/91/77/60/1042917760.db2.gz QPPUJRVPBRJDGL-MRXNPFEDSA-N 1 2 328.431 3.713 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2C)cs1 ZINC000166205586 1042928784 /nfs/dbraw/zinc/92/87/84/1042928784.db2.gz XYKAVSMCWNOUIG-CYBMUJFWSA-N 1 2 345.468 3.821 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2C)cs1 ZINC000166205586 1042928787 /nfs/dbraw/zinc/92/87/87/1042928787.db2.gz XYKAVSMCWNOUIG-CYBMUJFWSA-N 1 2 345.468 3.821 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000057831970 1042954152 /nfs/dbraw/zinc/95/41/52/1042954152.db2.gz ZWJIDSKUHJEYPM-UHFFFAOYSA-N 1 2 344.480 3.894 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cn1ccsc1=O ZINC000746610989 1133907314 /nfs/dbraw/zinc/90/73/14/1133907314.db2.gz KMMGZBGMGJHJCA-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO CC(C)[N@H+](Cc1ccc(Br)cc1)Cn1ccsc1=O ZINC000746610989 1133907318 /nfs/dbraw/zinc/90/73/18/1133907318.db2.gz KMMGZBGMGJHJCA-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000348552544 1043003843 /nfs/dbraw/zinc/00/38/43/1043003843.db2.gz LYPYHAOBJGXCIN-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000348552544 1043003849 /nfs/dbraw/zinc/00/38/49/1043003849.db2.gz LYPYHAOBJGXCIN-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985981 1043024897 /nfs/dbraw/zinc/02/48/97/1043024897.db2.gz KFRXEXBTMHPBIF-UHFFFAOYSA-N 1 2 328.460 3.696 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000432391467 1043050379 /nfs/dbraw/zinc/05/03/79/1043050379.db2.gz LDIYKBSGIFCPMK-NSISKUIASA-N 1 2 339.483 3.734 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942545 1043055864 /nfs/dbraw/zinc/05/58/64/1043055864.db2.gz YEPBXWCLJBQSNM-NWDGAFQWSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942545 1043055871 /nfs/dbraw/zinc/05/58/71/1043055871.db2.gz YEPBXWCLJBQSNM-NWDGAFQWSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000056185955 1043194265 /nfs/dbraw/zinc/19/42/65/1043194265.db2.gz BPWAAPTVKOLXND-OAHLLOKOSA-N 1 2 335.407 3.890 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)n1 ZINC000722407829 1043245924 /nfs/dbraw/zinc/24/59/24/1043245924.db2.gz ATXFBSGOMJPGLO-UHFFFAOYSA-N 1 2 330.284 3.801 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279062472 1043290333 /nfs/dbraw/zinc/29/03/33/1043290333.db2.gz FIXNCSBFFJJMJO-UHFFFAOYSA-N 1 2 345.512 3.579 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000344172703 1043362715 /nfs/dbraw/zinc/36/27/15/1043362715.db2.gz COVRMNOIIXJZGG-GOSISDBHSA-N 1 2 331.419 3.810 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000344176725 1043372525 /nfs/dbraw/zinc/37/25/25/1043372525.db2.gz RKRDNTCHMFBRCE-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO C[C@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000512172477 1043604041 /nfs/dbraw/zinc/60/40/41/1043604041.db2.gz YNLLWNGZCXZPBT-INIZCTEOSA-N 1 2 330.476 3.546 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000279279458 1043702824 /nfs/dbraw/zinc/70/28/24/1043702824.db2.gz XJCZZBCVHUXRSZ-UHFFFAOYSA-N 1 2 337.427 3.836 20 0 EHADLO CCc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663714578 1043787727 /nfs/dbraw/zinc/78/77/27/1043787727.db2.gz XKUVZVZAXJOTED-APWZRJJASA-N 1 2 347.466 3.990 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H](c2ccsc2)O1 ZINC000663716811 1043802614 /nfs/dbraw/zinc/80/26/14/1043802614.db2.gz OGIJVELBQLSBMU-YVEFUNNKSA-N 1 2 325.437 3.845 20 0 EHADLO CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000162852486 1043807011 /nfs/dbraw/zinc/80/70/11/1043807011.db2.gz PMPMDXREHNUFJT-CQSZACIVSA-N 1 2 349.390 3.685 20 0 EHADLO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccsc1C(=O)OC)CCO2 ZINC000893676579 1043810785 /nfs/dbraw/zinc/81/07/85/1043810785.db2.gz NBHYRFRTVZXZBH-HNNXBMFYSA-N 1 2 347.436 3.547 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000007696558 1043838981 /nfs/dbraw/zinc/83/89/81/1043838981.db2.gz FCOWLGPZOIDFFY-INIZCTEOSA-N 1 2 340.467 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000007696558 1043839001 /nfs/dbraw/zinc/83/90/01/1043839001.db2.gz FCOWLGPZOIDFFY-INIZCTEOSA-N 1 2 340.467 3.776 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1ccccc1)Cn1nc2c(cc1=O)CCCC2 ZINC000728903750 1043876490 /nfs/dbraw/zinc/87/64/90/1043876490.db2.gz WZHWUAHVBQAXTP-UHFFFAOYSA-N 1 2 339.483 3.628 20 0 EHADLO CC(C)(C)C[N@H+](Cc1ccccc1)Cn1nc2c(cc1=O)CCCC2 ZINC000728903750 1043876507 /nfs/dbraw/zinc/87/65/07/1043876507.db2.gz WZHWUAHVBQAXTP-UHFFFAOYSA-N 1 2 339.483 3.628 20 0 EHADLO CCc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nnc1-c1ccccc1 ZINC000663740513 1043882527 /nfs/dbraw/zinc/88/25/27/1043882527.db2.gz FKPLKMINYHYUBQ-GOSISDBHSA-N 1 2 345.450 3.792 20 0 EHADLO [NH2+]=CNc1cnc(OCc2ccccc2)nc1OCc1ccccc1 ZINC001167868642 1043935211 /nfs/dbraw/zinc/93/52/11/1043935211.db2.gz KQOPDXHNMBVDTG-UHFFFAOYSA-N 1 2 334.379 3.654 20 0 EHADLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1F ZINC000163482416 1043962209 /nfs/dbraw/zinc/96/22/09/1043962209.db2.gz WWBRQQANUWWYHC-UHFFFAOYSA-N 1 2 347.821 3.581 20 0 EHADLO Cc1nc(N[C@H](c2cccnc2)C2CC2)c(Br)c(C)[nH+]1 ZINC000663752765 1044010720 /nfs/dbraw/zinc/01/07/20/1044010720.db2.gz MYKBZSJMCKGKEL-AWEZNQCLSA-N 1 2 333.233 3.814 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425976 1044075195 /nfs/dbraw/zinc/07/51/95/1044075195.db2.gz XJQVMGSGLWLHHJ-DIFFPNOSSA-N 1 2 335.473 3.576 20 0 EHADLO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425976 1044075209 /nfs/dbraw/zinc/07/52/09/1044075209.db2.gz XJQVMGSGLWLHHJ-DIFFPNOSSA-N 1 2 335.473 3.576 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000344642585 1044218786 /nfs/dbraw/zinc/21/87/86/1044218786.db2.gz RPYBPPFYRMUDPG-MRXNPFEDSA-N 1 2 347.484 3.509 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000279581691 1044260147 /nfs/dbraw/zinc/26/01/47/1044260147.db2.gz UREGIJQTLDTWEN-RNEXODBNSA-N 1 2 342.483 3.670 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c(O)c1 ZINC000337649674 1044360286 /nfs/dbraw/zinc/36/02/86/1044360286.db2.gz JMDMGUKGQVRPKW-UHFFFAOYSA-N 1 2 336.395 3.523 20 0 EHADLO C[C@H]1C[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H](c2ccccc2)O1 ZINC000250641515 1044374218 /nfs/dbraw/zinc/37/42/18/1044374218.db2.gz UXBJFWQZIWRPAN-DJJJIMSYSA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H](c2ccccc2)O1 ZINC000250641515 1044374231 /nfs/dbraw/zinc/37/42/31/1044374231.db2.gz UXBJFWQZIWRPAN-DJJJIMSYSA-N 1 2 343.377 3.734 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000543836099 1044374484 /nfs/dbraw/zinc/37/44/84/1044374484.db2.gz ICYBXLMYZHVTER-KRWDZBQOSA-N 1 2 328.437 3.843 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC(Cc2ccccc2)C1 ZINC000644872306 1044375670 /nfs/dbraw/zinc/37/56/70/1044375670.db2.gz IZMAYYCJATWCQK-HXUWFJFHSA-N 1 2 345.446 3.633 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C(C)C)c1 ZINC000637477667 1044476974 /nfs/dbraw/zinc/47/69/74/1044476974.db2.gz KUIJNPPGFRIIOB-MOPGFXCFSA-N 1 2 340.471 3.935 20 0 EHADLO COCc1cnc(C[NH2+]Cc2cccc(C)c2Br)s1 ZINC000344840559 1044507264 /nfs/dbraw/zinc/50/72/64/1044507264.db2.gz WTFNMIUDXUMQJF-UHFFFAOYSA-N 1 2 341.274 3.650 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Br)cc[nH+]1 ZINC000112298189 1044598788 /nfs/dbraw/zinc/59/87/88/1044598788.db2.gz JSTCGYZWUIMFBP-LLVKDONJSA-N 1 2 335.201 3.559 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2ccnn2C)C1 ZINC000344896566 1044669968 /nfs/dbraw/zinc/66/99/68/1044669968.db2.gz RVECQHBBKAXREI-HNNXBMFYSA-N 1 2 336.439 3.669 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841737 1044733362 /nfs/dbraw/zinc/73/33/62/1044733362.db2.gz RQXUDCDOVKFASZ-OLZOCXBDSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841737 1044733376 /nfs/dbraw/zinc/73/33/76/1044733376.db2.gz RQXUDCDOVKFASZ-OLZOCXBDSA-N 1 2 327.827 3.810 20 0 EHADLO Nc1ccc(Nc2cc(Cl)c(Cl)nc2Br)c[nH+]1 ZINC001201278272 1136002854 /nfs/dbraw/zinc/00/28/54/1136002854.db2.gz HCJMLKVAFSTVCU-UHFFFAOYSA-N 1 2 334.004 3.872 20 0 EHADLO CCOCC1CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001136855899 1137132228 /nfs/dbraw/zinc/13/22/28/1137132228.db2.gz ZHTCBFUPIBOGRI-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC001136856152 1137132657 /nfs/dbraw/zinc/13/26/57/1137132657.db2.gz BIESEZQLYXQNJA-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC001136856152 1137132659 /nfs/dbraw/zinc/13/26/59/1137132659.db2.gz BIESEZQLYXQNJA-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000620410710 1125567241 /nfs/dbraw/zinc/56/72/41/1125567241.db2.gz HCWUAPIVUXXHTA-UHFFFAOYSA-N 1 2 341.411 3.734 20 0 EHADLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1F ZINC000154062371 1125689536 /nfs/dbraw/zinc/68/95/36/1125689536.db2.gz HUSSVKLOEALPIY-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO CCn1cc(C[N@H+](CC)Cc2cc(Br)ccc2F)cn1 ZINC000154675547 1125744170 /nfs/dbraw/zinc/74/41/70/1125744170.db2.gz WRMMZWSJZOSOPL-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO CCn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2F)cn1 ZINC000154675547 1125744175 /nfs/dbraw/zinc/74/41/75/1125744175.db2.gz WRMMZWSJZOSOPL-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO Cn1c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000154741551 1125752989 /nfs/dbraw/zinc/75/29/89/1125752989.db2.gz JYUPPXDUYURMFZ-HNNXBMFYSA-N 1 2 341.480 3.816 20 0 EHADLO Cn1c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000154741551 1125752993 /nfs/dbraw/zinc/75/29/93/1125752993.db2.gz JYUPPXDUYURMFZ-HNNXBMFYSA-N 1 2 341.480 3.816 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000154870516 1125762777 /nfs/dbraw/zinc/76/27/77/1125762777.db2.gz SLIPGLZVBGHQEW-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000154870516 1125762783 /nfs/dbraw/zinc/76/27/83/1125762783.db2.gz SLIPGLZVBGHQEW-GOSISDBHSA-N 1 2 344.842 3.952 20 0 EHADLO Cc1nnc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)n1C1CC1 ZINC000154968570 1125771755 /nfs/dbraw/zinc/77/17/55/1125771755.db2.gz QMZHXUFASMFQMS-UHFFFAOYSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1F ZINC000622546116 1126715773 /nfs/dbraw/zinc/71/57/73/1126715773.db2.gz HSLCZHISQDKBGU-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1F ZINC000622546116 1126715777 /nfs/dbraw/zinc/71/57/77/1126715777.db2.gz HSLCZHISQDKBGU-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514718 1126742116 /nfs/dbraw/zinc/74/21/16/1126742116.db2.gz CKKRXAIIXZXYGW-DNVCBOLYSA-N 1 2 343.471 3.769 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514718 1126742122 /nfs/dbraw/zinc/74/21/22/1126742122.db2.gz CKKRXAIIXZXYGW-DNVCBOLYSA-N 1 2 343.471 3.769 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514716 1126742228 /nfs/dbraw/zinc/74/22/28/1126742228.db2.gz CKKRXAIIXZXYGW-BEFAXECRSA-N 1 2 343.471 3.769 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514716 1126742232 /nfs/dbraw/zinc/74/22/32/1126742232.db2.gz CKKRXAIIXZXYGW-BEFAXECRSA-N 1 2 343.471 3.769 20 0 EHADLO COc1ccccc1N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000172014810 1126773895 /nfs/dbraw/zinc/77/38/95/1126773895.db2.gz ZDLCRBFLXFEVPG-UHFFFAOYSA-N 1 2 338.455 3.752 20 0 EHADLO OCC[C@@H]1CCCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000671247319 1126817983 /nfs/dbraw/zinc/81/79/83/1126817983.db2.gz NVSOAIAFVNWVOO-NSHDSACASA-N 1 2 348.231 3.854 20 0 EHADLO OCC[C@@H]1CCCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000671247319 1126817986 /nfs/dbraw/zinc/81/79/86/1126817986.db2.gz NVSOAIAFVNWVOO-NSHDSACASA-N 1 2 348.231 3.854 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)s1 ZINC000339461826 1126845020 /nfs/dbraw/zinc/84/50/20/1126845020.db2.gz FERYHURNVZXFCD-ZETCQYMHSA-N 1 2 330.226 3.599 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCc1cccs1 ZINC000175020261 1126865120 /nfs/dbraw/zinc/86/51/20/1126865120.db2.gz GXVGDKDARSFQEY-QWRGUYRKSA-N 1 2 340.851 3.896 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccccc1OC(F)F ZINC000623230929 1126899458 /nfs/dbraw/zinc/89/94/58/1126899458.db2.gz BULNDLWGSKRMRC-SJCJKPOMSA-N 1 2 346.377 3.652 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1OCc1ccccc1 ZINC000623233767 1126900388 /nfs/dbraw/zinc/90/03/88/1126900388.db2.gz KSHKEHPXMWAWFX-UHFFFAOYSA-N 1 2 349.434 3.556 20 0 EHADLO COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1OCc1ccccc1 ZINC000623233767 1126900391 /nfs/dbraw/zinc/90/03/91/1126900391.db2.gz KSHKEHPXMWAWFX-UHFFFAOYSA-N 1 2 349.434 3.556 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623259166 1126906823 /nfs/dbraw/zinc/90/68/23/1126906823.db2.gz SVYZUSJXWKYYAG-RHELOZEPSA-N 1 2 329.488 3.557 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000623281622 1126908995 /nfs/dbraw/zinc/90/89/95/1126908995.db2.gz BYYVABLKABPELR-UHFFFAOYSA-N 1 2 341.333 3.720 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623306309 1126911531 /nfs/dbraw/zinc/91/15/31/1126911531.db2.gz KLXQSGZCOCRLPR-CRAIPNDOSA-N 1 2 325.456 3.631 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)c(Br)cn2)s1 ZINC000623441522 1126956748 /nfs/dbraw/zinc/95/67/48/1126956748.db2.gz YLLNRHDLKQNVPD-SNVBAGLBSA-N 1 2 326.263 3.768 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccsc1Br)c1ccco1 ZINC000623487664 1126966091 /nfs/dbraw/zinc/96/60/91/1126966091.db2.gz LXZRROVOHJKZEM-LLVKDONJSA-N 1 2 330.247 3.971 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC3CC3)c2)[nH]1 ZINC000623506991 1126968321 /nfs/dbraw/zinc/96/83/21/1126968321.db2.gz RXERGOQVGVOAEC-CHWSQXEVSA-N 1 2 344.459 3.719 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1CCC(c2ccccc2)CC1 ZINC000177591761 1126984575 /nfs/dbraw/zinc/98/45/75/1126984575.db2.gz YJVVAFVLSLSSNV-UHFFFAOYSA-N 1 2 348.450 3.860 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623571623 1126989145 /nfs/dbraw/zinc/98/91/45/1126989145.db2.gz CIEYJLQCJISUFL-UHFFFAOYSA-N 1 2 325.790 3.909 20 0 EHADLO COc1cc(N2CC[NH+](Cc3cscc3Cl)CC2)ccc1F ZINC000670272644 1126992825 /nfs/dbraw/zinc/99/28/25/1126992825.db2.gz UJJWWPVMPZRFKU-UHFFFAOYSA-N 1 2 340.851 3.871 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1F ZINC000178460108 1127018426 /nfs/dbraw/zinc/01/84/26/1127018426.db2.gz UNQFHDXSQVXDJR-LBPRGKRZSA-N 1 2 325.387 3.937 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178942690 1127038385 /nfs/dbraw/zinc/03/83/85/1127038385.db2.gz JXNMAMSCWZSPFD-GOSISDBHSA-N 1 2 344.499 3.982 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)c1 ZINC000179034574 1127042603 /nfs/dbraw/zinc/04/26/03/1127042603.db2.gz LHWCKAJENMRZRK-OAHLLOKOSA-N 1 2 333.844 3.703 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)c1 ZINC000179034574 1127042608 /nfs/dbraw/zinc/04/26/08/1127042608.db2.gz LHWCKAJENMRZRK-OAHLLOKOSA-N 1 2 333.844 3.703 20 0 EHADLO Cc1[nH]ncc1C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000179049412 1127043301 /nfs/dbraw/zinc/04/33/01/1127043301.db2.gz FIRMXQFDWJXGRF-UHFFFAOYSA-N 1 2 332.860 3.827 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000179312717 1127056393 /nfs/dbraw/zinc/05/63/93/1127056393.db2.gz PWDLKOBKNJQMJE-KRWDZBQOSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(OC(F)F)c1 ZINC000179581762 1127072771 /nfs/dbraw/zinc/07/27/71/1127072771.db2.gz KWTCFNRKAWKOJJ-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cc3ccccc3[nH]c2=O)c1C ZINC000180385714 1127150893 /nfs/dbraw/zinc/15/08/93/1127150893.db2.gz VVIIAXJEMHAECZ-UHFFFAOYSA-N 1 2 340.448 3.982 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000763983188 1127178954 /nfs/dbraw/zinc/17/89/54/1127178954.db2.gz JSHKIJSNRFGBKX-LJQANCHMSA-N 1 2 341.455 3.734 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000763983188 1127178955 /nfs/dbraw/zinc/17/89/55/1127178955.db2.gz JSHKIJSNRFGBKX-LJQANCHMSA-N 1 2 341.455 3.734 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)c(N2CCCC2)n1 ZINC000623957385 1127222255 /nfs/dbraw/zinc/22/22/55/1127222255.db2.gz HKVSAVFCVAVBDY-OAHLLOKOSA-N 1 2 328.485 3.614 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+][C@H]2CCCc3scnc32)on1 ZINC000624017192 1127233858 /nfs/dbraw/zinc/23/38/58/1127233858.db2.gz SEKSNZUAAKFHDX-AWEZNQCLSA-N 1 2 341.436 3.974 20 0 EHADLO O=C(CC(C1CCC1)C1CCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000624131709 1127253622 /nfs/dbraw/zinc/25/36/22/1127253622.db2.gz VSXPGDNVVZLYHD-UHFFFAOYSA-N 1 2 341.499 3.773 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000181758575 1127294513 /nfs/dbraw/zinc/29/45/13/1127294513.db2.gz CEICQVRNTVXXEX-LLVKDONJSA-N 1 2 348.805 3.971 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000182545284 1127336195 /nfs/dbraw/zinc/33/61/95/1127336195.db2.gz XICDRCHNHVCCTI-SFHVURJKSA-N 1 2 349.862 3.933 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cnc2ccsc2c1 ZINC000182885211 1127352668 /nfs/dbraw/zinc/35/26/68/1127352668.db2.gz FBRUIFGOWUBNLA-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182977019 1127356762 /nfs/dbraw/zinc/35/67/62/1127356762.db2.gz UYRSERQFJVYKOE-OAHLLOKOSA-N 1 2 347.422 3.661 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182977019 1127356765 /nfs/dbraw/zinc/35/67/65/1127356765.db2.gz UYRSERQFJVYKOE-OAHLLOKOSA-N 1 2 347.422 3.661 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184445805 1127404826 /nfs/dbraw/zinc/40/48/26/1127404826.db2.gz RZTKKALFMSDFLW-AWEZNQCLSA-N 1 2 345.512 3.716 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184488143 1127406501 /nfs/dbraw/zinc/40/65/01/1127406501.db2.gz DDZCDBBYPHIGKS-KGLIPLIRSA-N 1 2 337.533 3.882 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000195307779 1127476474 /nfs/dbraw/zinc/47/64/74/1127476474.db2.gz JSZSKOBNDNOCCQ-GOSISDBHSA-N 1 2 343.858 3.644 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=S)NCc2ccccc2)CC1 ZINC000764931878 1127554635 /nfs/dbraw/zinc/55/46/35/1127554635.db2.gz QNVOWBDTZFVKOD-OAHLLOKOSA-N 1 2 345.537 3.501 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cn1ncc(Br)c1C1CC1 ZINC000764946900 1127558412 /nfs/dbraw/zinc/55/84/12/1127558412.db2.gz LCAACABONQFGIQ-UHFFFAOYSA-N 1 2 340.187 3.755 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cn1ncc(Br)c1C1CC1 ZINC000764946900 1127558413 /nfs/dbraw/zinc/55/84/13/1127558413.db2.gz LCAACABONQFGIQ-UHFFFAOYSA-N 1 2 340.187 3.755 20 0 EHADLO C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000765269464 1127591053 /nfs/dbraw/zinc/59/10/53/1127591053.db2.gz JBJOBIXNKYFAHJ-CABCVRRESA-N 1 2 337.533 3.819 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c(C)c1 ZINC000921521588 1127624154 /nfs/dbraw/zinc/62/41/54/1127624154.db2.gz LLTJYRHMQGDJBN-IBGZPJMESA-N 1 2 339.414 3.755 20 0 EHADLO O=C(c1cc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022864012 1127692684 /nfs/dbraw/zinc/69/26/84/1127692684.db2.gz APULFXAEXFFUST-UHFFFAOYSA-N 1 2 336.460 3.859 20 0 EHADLO C[C@H](C[NH+](Cc1ccco1)Cc1ccco1)NC(=O)OC(C)(C)C ZINC000785437359 1127732230 /nfs/dbraw/zinc/73/22/30/1127732230.db2.gz KIDZFNZJIOZNIA-CQSZACIVSA-N 1 2 334.416 3.788 20 0 EHADLO c1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)n(C2CCC2)n1 ZINC000921560810 1127752030 /nfs/dbraw/zinc/75/20/30/1127752030.db2.gz YPGLVLICBZPCRT-UHFFFAOYSA-N 1 2 347.466 3.572 20 0 EHADLO c1ccc(Oc2cccnc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212350340 1127761083 /nfs/dbraw/zinc/76/10/83/1127761083.db2.gz RUIILFNHDDXBJV-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028683079 1127790499 /nfs/dbraw/zinc/79/04/99/1127790499.db2.gz YQPPECACDGCRNV-ZDUSSCGKSA-N 1 2 345.468 3.636 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028683079 1127790500 /nfs/dbraw/zinc/79/05/00/1127790500.db2.gz YQPPECACDGCRNV-ZDUSSCGKSA-N 1 2 345.468 3.636 20 0 EHADLO O=C(CCc1nc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917189 1127811307 /nfs/dbraw/zinc/81/13/07/1127811307.db2.gz OZCAYSFXXCRVOY-UHFFFAOYSA-N 1 2 332.363 3.585 20 0 EHADLO Clc1cnccc1C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338564727 1127818790 /nfs/dbraw/zinc/81/87/90/1127818790.db2.gz AUQBRICTUUQZRM-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO COc1ccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000031259812 1127832176 /nfs/dbraw/zinc/83/21/76/1127832176.db2.gz KFJKLINJRGJPOF-HXUWFJFHSA-N 1 2 347.418 3.762 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000038642129 1127871210 /nfs/dbraw/zinc/87/12/10/1127871210.db2.gz LNFNNLMGPYVFHJ-BLRBJFNZSA-N 1 2 349.478 3.788 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C2CCCC2)C[C@@H](C)O1 ZINC000172293570 1127874274 /nfs/dbraw/zinc/87/42/74/1127874274.db2.gz CTQYROFZZFMOLE-HZPDHXFCSA-N 1 2 345.487 3.702 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041339523 1127874821 /nfs/dbraw/zinc/87/48/21/1127874821.db2.gz MQKVVAYOONIORF-UHFFFAOYSA-N 1 2 341.414 3.998 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2[nH+]1 ZINC000042025262 1127883482 /nfs/dbraw/zinc/88/34/82/1127883482.db2.gz HTBSGMUQOUFDDI-UHFFFAOYSA-N 1 2 335.407 3.558 20 0 EHADLO Brc1cscc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000351546191 1127950897 /nfs/dbraw/zinc/95/08/97/1127950897.db2.gz QHWPYDUURIRKFQ-UHFFFAOYSA-N 1 2 349.257 3.763 20 0 EHADLO CCCOc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045736831 1127957952 /nfs/dbraw/zinc/95/79/52/1127957952.db2.gz PEJGOSNMHKSEOA-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc(OC3CCCC3)cc2)c1 ZINC001212359959 1127980171 /nfs/dbraw/zinc/98/01/71/1127980171.db2.gz GCZVGLBLDFEQCU-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO CC(C)c1ccc(CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C2CC2)cc1 ZINC000047029211 1127999106 /nfs/dbraw/zinc/99/91/06/1127999106.db2.gz RCHAYFCRBAEWRX-MRXNPFEDSA-N 1 2 340.471 3.769 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001670904585 1128008542 /nfs/dbraw/zinc/00/85/42/1128008542.db2.gz SGMOHSNVAQCQAU-UHFFFAOYSA-N 1 2 347.415 3.697 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)s1 ZINC000671701294 1128013982 /nfs/dbraw/zinc/01/39/82/1128013982.db2.gz KUNIRAJYWFPZJW-UHFFFAOYSA-N 1 2 343.374 3.784 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)c(Cl)c1 ZINC000056526164 1128021679 /nfs/dbraw/zinc/02/16/79/1128021679.db2.gz QBAHMIZCLNBEEQ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]1c1ccccc1 ZINC000056895595 1128031434 /nfs/dbraw/zinc/03/14/34/1128031434.db2.gz AVQOOUDGNOJWLN-LJQANCHMSA-N 1 2 332.407 3.529 20 0 EHADLO COc1cccc(C[NH2+]Cc2coc(-c3cccs3)n2)c1OC ZINC000064412035 1128073398 /nfs/dbraw/zinc/07/33/98/1128073398.db2.gz NPPRUGFQBKXWIV-UHFFFAOYSA-N 1 2 330.409 3.710 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1COc1ccccc1 ZINC000060408207 1128101053 /nfs/dbraw/zinc/10/10/53/1128101053.db2.gz RSNKQXHTBROIDZ-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO COc1ccc(CCCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000061380053 1128123225 /nfs/dbraw/zinc/12/32/25/1128123225.db2.gz FOTGVZWVPDPYQR-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO CC(C)N(C(=O)C[N@H+](C)Cc1ccc(Br)s1)C(C)C ZINC000061800766 1128129397 /nfs/dbraw/zinc/12/93/97/1128129397.db2.gz WBWMSHKTIPBKPY-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](C)Cc1ccc(Br)s1)C(C)C ZINC000061800766 1128129399 /nfs/dbraw/zinc/12/93/99/1128129399.db2.gz WBWMSHKTIPBKPY-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000029951250 1128169504 /nfs/dbraw/zinc/16/95/04/1128169504.db2.gz UPNVSOVPECEFSR-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067657440 1128245838 /nfs/dbraw/zinc/24/58/38/1128245838.db2.gz MWVZJHCWTZHAGV-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO O=C(Cc1cccc2cccnc21)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065729488 1128199599 /nfs/dbraw/zinc/19/95/99/1128199599.db2.gz GGDHFXYSEKHVIO-UHFFFAOYSA-N 1 2 346.365 3.741 20 0 EHADLO CCCCn1c(SCc2cc(C)no2)nnc1[C@H](CC)[NH+](C)C ZINC000071078024 1128297907 /nfs/dbraw/zinc/29/79/07/1128297907.db2.gz XSXISMFDCFXPJB-AWEZNQCLSA-N 1 2 337.493 3.680 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000072979115 1128312065 /nfs/dbraw/zinc/31/20/65/1128312065.db2.gz YEWVDPKAMFUSLS-DYESRHJHSA-N 1 2 339.483 3.846 20 0 EHADLO Cc1nc(NC(=O)Cn2cc[nH+]c2)sc1Cc1ccccc1Cl ZINC000072992360 1128312712 /nfs/dbraw/zinc/31/27/12/1128312712.db2.gz GXTZYOZJVDJGJT-UHFFFAOYSA-N 1 2 346.843 3.531 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000073000835 1128312820 /nfs/dbraw/zinc/31/28/20/1128312820.db2.gz ITMZCQZRDZKQOF-UHFFFAOYSA-N 1 2 341.798 3.754 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000073809720 1128329390 /nfs/dbraw/zinc/32/93/90/1128329390.db2.gz GANMPSLWTIAHES-WBVHZDCISA-N 1 2 344.459 3.748 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCCc2ccccc2)c1 ZINC000074473228 1128342278 /nfs/dbraw/zinc/34/22/78/1128342278.db2.gz JBHPLUMWUWFRDU-UHFFFAOYSA-N 1 2 333.435 3.886 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4[C@@H]5c6ccccc6C[C@@H]54)n3)[nH+]c12 ZINC000624499514 1128379322 /nfs/dbraw/zinc/37/93/22/1128379322.db2.gz REEDXTAXKBJCOZ-QXAKKESOSA-N 1 2 342.402 3.670 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccnn3CC3CCC3)cc2)[nH+]c1C ZINC000921667987 1128447851 /nfs/dbraw/zinc/44/78/51/1128447851.db2.gz CWNHTZXSCHMTER-UHFFFAOYSA-N 1 2 349.438 3.942 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660442088 1128473210 /nfs/dbraw/zinc/47/32/10/1128473210.db2.gz NRSJPXIISPHCTI-CMPLNLGQSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660442088 1128473214 /nfs/dbraw/zinc/47/32/14/1128473214.db2.gz NRSJPXIISPHCTI-CMPLNLGQSA-N 1 2 347.684 3.623 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)ccn1 ZINC000347658567 1128541030 /nfs/dbraw/zinc/54/10/30/1128541030.db2.gz WCGPSEQPDOCJRI-CQSZACIVSA-N 1 2 339.464 3.988 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccon1 ZINC000542712573 1128551789 /nfs/dbraw/zinc/55/17/89/1128551789.db2.gz VAIVKXKMINEAER-QMMMGPOBSA-N 1 2 347.159 3.889 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)o1 ZINC000298481758 1128564323 /nfs/dbraw/zinc/56/43/23/1128564323.db2.gz GBHLLSJNIAPUIK-JTQLQIEISA-N 1 2 349.337 3.662 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056894557 1128594637 /nfs/dbraw/zinc/59/46/37/1128594637.db2.gz KLMIQQRCJPRVID-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172582341 1128654664 /nfs/dbraw/zinc/65/46/64/1128654664.db2.gz NCFRCJADKYTWCC-HNNXBMFYSA-N 1 2 343.427 3.567 20 0 EHADLO CCOC(=O)N1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172582341 1128654665 /nfs/dbraw/zinc/65/46/65/1128654665.db2.gz NCFRCJADKYTWCC-HNNXBMFYSA-N 1 2 343.427 3.567 20 0 EHADLO c1cc([C@H]2CCC[N@H+]2Cc2noc3c2CCCC3)cc2c1OCO2 ZINC000108860940 1128669751 /nfs/dbraw/zinc/66/97/51/1128669751.db2.gz RNGIHTSMAAAKHL-MRXNPFEDSA-N 1 2 326.396 3.619 20 0 EHADLO c1cc([C@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)cc2c1OCO2 ZINC000108860940 1128669752 /nfs/dbraw/zinc/66/97/52/1128669752.db2.gz RNGIHTSMAAAKHL-MRXNPFEDSA-N 1 2 326.396 3.619 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000303705722 1128689488 /nfs/dbraw/zinc/68/94/88/1128689488.db2.gz SMTYKRMFXGBZCF-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO CC(C)([NH2+]Cc1nnc(C2CC2)o1)c1ccc(Br)cc1 ZINC000072578486 1128727757 /nfs/dbraw/zinc/72/77/57/1128727757.db2.gz KIHMWHCVSBLXRJ-UHFFFAOYSA-N 1 2 336.233 3.734 20 0 EHADLO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCn2cc[nH+]c2)cc1 ZINC000265742981 1128742974 /nfs/dbraw/zinc/74/29/74/1128742974.db2.gz WTNKVBXAYFWGGY-UHFFFAOYSA-N 1 2 337.427 3.529 20 0 EHADLO CC(C)(C)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000073135740 1128753967 /nfs/dbraw/zinc/75/39/67/1128753967.db2.gz QOKRREBHZREQAN-AWEZNQCLSA-N 1 2 325.334 3.579 20 0 EHADLO COc1cc(CNc2[nH+]cccc2OC(C)C)cc(OC)c1OC ZINC001168674015 1128781487 /nfs/dbraw/zinc/78/14/87/1128781487.db2.gz YXGJVTGUEMPHTN-UHFFFAOYSA-N 1 2 332.400 3.507 20 0 EHADLO CC(C)([NH2+]Cc1nccc2c1CCCC2)c1cn(-c2ccccc2)nn1 ZINC000921833301 1128796426 /nfs/dbraw/zinc/79/64/26/1128796426.db2.gz VEKMUEOPCLGPJX-UHFFFAOYSA-N 1 2 347.466 3.566 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000765942065 1128803564 /nfs/dbraw/zinc/80/35/64/1128803564.db2.gz VKLYNNPVWKEENE-IBGZPJMESA-N 1 2 347.499 3.736 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000075629915 1128872285 /nfs/dbraw/zinc/87/22/85/1128872285.db2.gz KQCXAXRXCBLHKC-QGZVFWFLSA-N 1 2 327.472 3.662 20 0 EHADLO Cc1cc(C)cc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001687145016 1120025102 /nfs/dbraw/zinc/02/51/02/1120025102.db2.gz GPOHPSHPJJFMCZ-FQEVSTJZSA-N 1 2 348.450 3.741 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)c(C)[nH+]1 ZINC001648801786 1120041463 /nfs/dbraw/zinc/04/14/63/1120041463.db2.gz MCVGVCHOCDHXPV-GOSISDBHSA-N 1 2 325.456 3.873 20 0 EHADLO CC[N@@H+](Cc1cccc(C)c1Br)C[C@H](O)C(F)(F)F ZINC001658349838 1120101718 /nfs/dbraw/zinc/10/17/18/1120101718.db2.gz SCRZCMJLZHPGJZ-NSHDSACASA-N 1 2 340.183 3.503 20 0 EHADLO CC[N@H+](Cc1cccc(C)c1Br)C[C@H](O)C(F)(F)F ZINC001658349838 1120101721 /nfs/dbraw/zinc/10/17/21/1120101721.db2.gz SCRZCMJLZHPGJZ-NSHDSACASA-N 1 2 340.183 3.503 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000129602809 1120148967 /nfs/dbraw/zinc/14/89/67/1120148967.db2.gz BRUHESSCLOETAB-HOTGVXAUSA-N 1 2 334.423 3.638 20 0 EHADLO CCc1nnc(N2C[C@@H](C)C[C@@H]2CC)n1CCCc1cccc(C)[nH+]1 ZINC001709060235 1120178153 /nfs/dbraw/zinc/17/81/53/1120178153.db2.gz QXTUJSQYTFDQJR-YJBOKZPZSA-N 1 2 341.503 3.802 20 0 EHADLO CCCn1nc(C)c(C[NH2+]Cc2csc(-c3ccco3)n2)c1C ZINC000124780195 1120186985 /nfs/dbraw/zinc/18/69/85/1120186985.db2.gz HSORDHYVOGEGPF-UHFFFAOYSA-N 1 2 330.457 3.916 20 0 EHADLO Cc1nc(C)c(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000172747155 1128898296 /nfs/dbraw/zinc/89/82/96/1128898296.db2.gz LRNKGDYEXFKAOA-UHFFFAOYSA-N 1 2 331.485 3.756 20 0 EHADLO Cc1nc(C)c(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000172747155 1128898297 /nfs/dbraw/zinc/89/82/97/1128898297.db2.gz LRNKGDYEXFKAOA-UHFFFAOYSA-N 1 2 331.485 3.756 20 0 EHADLO Cc1oc(C)c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000156572268 1128901303 /nfs/dbraw/zinc/90/13/03/1128901303.db2.gz XNZHSGNRSQIZIH-CYBMUJFWSA-N 1 2 332.469 3.785 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185080231 1120399566 /nfs/dbraw/zinc/39/95/66/1120399566.db2.gz MEOTVCLIAYBOBK-NRFANRHFSA-N 1 2 348.450 3.641 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[S@]1=O ZINC000185246117 1120405856 /nfs/dbraw/zinc/40/58/56/1120405856.db2.gz NNUUXJZRTTUYFS-JOCHJYFZSA-N 1 2 333.419 3.829 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[S@]1=O ZINC000185246117 1120405859 /nfs/dbraw/zinc/40/58/59/1120405859.db2.gz NNUUXJZRTTUYFS-JOCHJYFZSA-N 1 2 333.419 3.829 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1CCC[C@H]1C ZINC000185967739 1120437750 /nfs/dbraw/zinc/43/77/50/1120437750.db2.gz IAJUAASSFYIFLL-IEBWSBKVSA-N 1 2 343.515 3.973 20 0 EHADLO Cc1cccc(CN(Cc2ccccn2)C(=O)CCCn2cc[nH+]c2)c1 ZINC000112287892 1128918059 /nfs/dbraw/zinc/91/80/59/1128918059.db2.gz DKKBMMAACGGBIE-UHFFFAOYSA-N 1 2 348.450 3.596 20 0 EHADLO C[C@H](Nc1ccccc1OCCn1cc[nH+]c1)C1CCSCC1 ZINC000187509369 1120501283 /nfs/dbraw/zinc/50/12/83/1120501283.db2.gz YFUKUFWOFWVKPU-HNNXBMFYSA-N 1 2 331.485 3.906 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000494236336 1120512340 /nfs/dbraw/zinc/51/23/40/1120512340.db2.gz CMOZJCFWQUDDFK-ZQHZRZASSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000494236336 1120512343 /nfs/dbraw/zinc/51/23/43/1120512343.db2.gz CMOZJCFWQUDDFK-ZQHZRZASSA-N 1 2 333.439 3.759 20 0 EHADLO OCC[N@H+](Cc1cc(Br)cs1)Cc1ccccc1F ZINC000494284519 1120526420 /nfs/dbraw/zinc/52/64/20/1120526420.db2.gz GLSZNKBRCFJYFG-UHFFFAOYSA-N 1 2 344.249 3.644 20 0 EHADLO OCC[N@@H+](Cc1cc(Br)cs1)Cc1ccccc1F ZINC000494284519 1120526424 /nfs/dbraw/zinc/52/64/24/1120526424.db2.gz GLSZNKBRCFJYFG-UHFFFAOYSA-N 1 2 344.249 3.644 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000393349665 1120528822 /nfs/dbraw/zinc/52/88/22/1120528822.db2.gz SIEBEAHUYHSELL-GFCCVEGCSA-N 1 2 338.274 3.509 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000494380300 1120547476 /nfs/dbraw/zinc/54/74/76/1120547476.db2.gz GEPBNJWWUCLAOY-ZNMIVQPWSA-N 1 2 335.448 3.518 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000494380300 1120547482 /nfs/dbraw/zinc/54/74/82/1120547482.db2.gz GEPBNJWWUCLAOY-ZNMIVQPWSA-N 1 2 335.448 3.518 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@@H]1C(F)(F)F ZINC000190155931 1120628122 /nfs/dbraw/zinc/62/81/22/1120628122.db2.gz APQYOYWSOLRPHL-ZDUSSCGKSA-N 1 2 332.341 3.675 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(F)c2)CC[C@@H]1C(F)(F)F ZINC000190155931 1120628125 /nfs/dbraw/zinc/62/81/25/1120628125.db2.gz APQYOYWSOLRPHL-ZDUSSCGKSA-N 1 2 332.341 3.675 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000190241074 1120630841 /nfs/dbraw/zinc/63/08/41/1120630841.db2.gz IUASNMNZLHKVTC-KRWDZBQOSA-N 1 2 333.391 3.841 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190286591 1120632116 /nfs/dbraw/zinc/63/21/16/1120632116.db2.gz LDKZJNQXOXFKMA-LJQANCHMSA-N 1 2 342.393 3.826 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190286591 1120632120 /nfs/dbraw/zinc/63/21/20/1120632120.db2.gz LDKZJNQXOXFKMA-LJQANCHMSA-N 1 2 342.393 3.826 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190875493 1120653239 /nfs/dbraw/zinc/65/32/39/1120653239.db2.gz NUUCTDKZRQQQAR-UHFFFAOYSA-N 1 2 339.233 3.906 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000112599076 1128933169 /nfs/dbraw/zinc/93/31/69/1128933169.db2.gz SEBQJQDGPWFJMM-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000112599076 1128933171 /nfs/dbraw/zinc/93/31/71/1128933171.db2.gz SEBQJQDGPWFJMM-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000494645389 1120712495 /nfs/dbraw/zinc/71/24/95/1120712495.db2.gz CKTRTLZWQLAKPG-MRXNPFEDSA-N 1 2 344.505 3.927 20 0 EHADLO Clc1cccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000761654393 1120721491 /nfs/dbraw/zinc/72/14/91/1120721491.db2.gz WUAUWJDPNUSEDZ-UHFFFAOYSA-N 1 2 337.770 3.697 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494702790 1120726523 /nfs/dbraw/zinc/72/65/23/1120726523.db2.gz KHKFDMQEUAAMJX-HOCLYGCPSA-N 1 2 348.512 3.627 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494702790 1120726527 /nfs/dbraw/zinc/72/65/27/1120726527.db2.gz KHKFDMQEUAAMJX-HOCLYGCPSA-N 1 2 348.512 3.627 20 0 EHADLO OCC1CCN(c2[nH+]cccc2NCc2cc(Cl)cs2)CC1 ZINC000193180242 1120762921 /nfs/dbraw/zinc/76/29/21/1120762921.db2.gz NUSOUDSSIQSTCX-UHFFFAOYSA-N 1 2 337.876 3.617 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000193244455 1120766636 /nfs/dbraw/zinc/76/66/36/1120766636.db2.gz BDQSTFWFKJANKS-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000193244455 1120766638 /nfs/dbraw/zinc/76/66/38/1120766638.db2.gz BDQSTFWFKJANKS-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccc(C)cc2)c1C ZINC000195150611 1120768423 /nfs/dbraw/zinc/76/84/23/1120768423.db2.gz URHJFICSBVUTEL-INIZCTEOSA-N 1 2 341.455 3.918 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193764948 1120797035 /nfs/dbraw/zinc/79/70/35/1120797035.db2.gz ILGHZRRABLBSRR-GOSISDBHSA-N 1 2 325.456 3.764 20 0 EHADLO COC[C@@H](C)[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000193904512 1120807435 /nfs/dbraw/zinc/80/74/35/1120807435.db2.gz OITVNQBJVYLNSU-GFCCVEGCSA-N 1 2 340.876 3.842 20 0 EHADLO COC[C@@H](C)[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000193904512 1120807436 /nfs/dbraw/zinc/80/74/36/1120807436.db2.gz OITVNQBJVYLNSU-GFCCVEGCSA-N 1 2 340.876 3.842 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000494869284 1120889811 /nfs/dbraw/zinc/88/98/11/1120889811.db2.gz COGQKRVVAPIDLR-UHFFFAOYSA-N 1 2 343.189 3.761 20 0 EHADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837665 1120903982 /nfs/dbraw/zinc/90/39/82/1120903982.db2.gz OOMYKXWRPYRJHZ-YPMHNXCESA-N 1 2 338.238 3.998 20 0 EHADLO C[C@H](c1ncccn1)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000929837665 1120903986 /nfs/dbraw/zinc/90/39/86/1120903986.db2.gz OOMYKXWRPYRJHZ-YPMHNXCESA-N 1 2 338.238 3.998 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCO1 ZINC000494977540 1120925806 /nfs/dbraw/zinc/92/58/06/1120925806.db2.gz SGYSOSXDXXYAEO-BZSNNMDCSA-N 1 2 334.508 4.000 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000153284293 1120936544 /nfs/dbraw/zinc/93/65/44/1120936544.db2.gz QGDAQACETNLMAY-LBPRGKRZSA-N 1 2 336.427 3.692 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000153284293 1120936546 /nfs/dbraw/zinc/93/65/46/1120936546.db2.gz QGDAQACETNLMAY-LBPRGKRZSA-N 1 2 336.427 3.692 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(-c2ccccc2F)oc1=S ZINC000914783608 1120984486 /nfs/dbraw/zinc/98/44/86/1120984486.db2.gz BITURDNBTJPHMR-UHFFFAOYSA-N 1 2 339.436 3.574 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(-c2ccccc2F)oc1=S ZINC000914783608 1120984489 /nfs/dbraw/zinc/98/44/89/1120984489.db2.gz BITURDNBTJPHMR-UHFFFAOYSA-N 1 2 339.436 3.574 20 0 EHADLO Cc1ccc(C)c(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1 ZINC000762052113 1121079954 /nfs/dbraw/zinc/07/99/54/1121079954.db2.gz YOKYUUROANZEMI-AWEZNQCLSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1ccc(C)c(C[N@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1 ZINC000762052113 1121079959 /nfs/dbraw/zinc/07/99/59/1121079959.db2.gz YOKYUUROANZEMI-AWEZNQCLSA-N 1 2 330.497 3.741 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000302894381 1121105395 /nfs/dbraw/zinc/10/53/95/1121105395.db2.gz KQCKOPMPBYDHSA-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1cccnc1 ZINC000762145690 1121125015 /nfs/dbraw/zinc/12/50/15/1121125015.db2.gz XRHSMDAVRBNPIW-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1cccnc1 ZINC000762145690 1121125019 /nfs/dbraw/zinc/12/50/19/1121125019.db2.gz XRHSMDAVRBNPIW-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000762139554 1121127159 /nfs/dbraw/zinc/12/71/59/1121127159.db2.gz HODQWRPUJYZKIS-CYBMUJFWSA-N 1 2 346.475 3.979 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000762139554 1121127162 /nfs/dbraw/zinc/12/71/62/1121127162.db2.gz HODQWRPUJYZKIS-CYBMUJFWSA-N 1 2 346.475 3.979 20 0 EHADLO Cc1ccc2oc(N3CC[NH+](Cc4ccccc4F)CC3)nc2c1 ZINC000303283164 1121133254 /nfs/dbraw/zinc/13/32/54/1121133254.db2.gz MPSRDPZJCZFDSK-UHFFFAOYSA-N 1 2 325.387 3.598 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2nc(Cl)c3ccccc32)cc1F ZINC000762171864 1121142929 /nfs/dbraw/zinc/14/29/29/1121142929.db2.gz RXPLPKXUUMOXQG-UHFFFAOYSA-N 1 2 333.794 3.927 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2nc(Cl)c3ccccc32)cc1F ZINC000762171864 1121142930 /nfs/dbraw/zinc/14/29/30/1121142930.db2.gz RXPLPKXUUMOXQG-UHFFFAOYSA-N 1 2 333.794 3.927 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540935 1121158512 /nfs/dbraw/zinc/15/85/12/1121158512.db2.gz UJFSUWBSKQGFNH-WFASDCNBSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540935 1121158514 /nfs/dbraw/zinc/15/85/14/1121158514.db2.gz UJFSUWBSKQGFNH-WFASDCNBSA-N 1 2 326.843 3.606 20 0 EHADLO Clc1ccc([C@H]2CCC[N@@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762485006 1121322750 /nfs/dbraw/zinc/32/27/50/1121322750.db2.gz ZGNAYAAWUXQJOO-QGZVFWFLSA-N 1 2 339.830 3.788 20 0 EHADLO Clc1ccc([C@H]2CCC[N@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762485006 1121322760 /nfs/dbraw/zinc/32/27/60/1121322760.db2.gz ZGNAYAAWUXQJOO-QGZVFWFLSA-N 1 2 339.830 3.788 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1O ZINC000153566489 1121337992 /nfs/dbraw/zinc/33/79/92/1121337992.db2.gz VOTWMTQVVHGYDR-OAQYLSRUSA-N 1 2 334.419 3.983 20 0 EHADLO CCC[N@H+](Cc1nnnn1C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000053643505 1121363360 /nfs/dbraw/zinc/36/33/60/1121363360.db2.gz OVVDKMWNDBKGGC-ZDUSSCGKSA-N 1 2 325.416 3.727 20 0 EHADLO CCC[N@@H+](Cc1nnnn1C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000053643505 1121363370 /nfs/dbraw/zinc/36/33/70/1121363370.db2.gz OVVDKMWNDBKGGC-ZDUSSCGKSA-N 1 2 325.416 3.727 20 0 EHADLO Cc1cc(N)nc(SCc2cc(Br)ccc2Cl)[nH+]1 ZINC000495807289 1121530173 /nfs/dbraw/zinc/53/01/73/1121530173.db2.gz IPFFQPOTRWQYQL-UHFFFAOYSA-N 1 2 344.665 3.906 20 0 EHADLO CCC(CC)(CC)S[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000762970197 1121619722 /nfs/dbraw/zinc/61/97/22/1121619722.db2.gz RJOCQFNFJPHYQG-INIZCTEOSA-N 1 2 349.544 3.821 20 0 EHADLO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)OCCn1cc[nH+]c1 ZINC000763112306 1121684621 /nfs/dbraw/zinc/68/46/21/1121684621.db2.gz HQSNXPRTZXGGHL-UHFFFAOYSA-N 1 2 348.402 3.756 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000054679034 1121773694 /nfs/dbraw/zinc/77/36/94/1121773694.db2.gz UQBVOUZDAHWECC-UHFFFAOYSA-N 1 2 340.452 3.881 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055557528 1121840580 /nfs/dbraw/zinc/84/05/80/1121840580.db2.gz FXZQWUCZYHDYMU-QGZVFWFLSA-N 1 2 333.435 3.601 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000763222940 1121911890 /nfs/dbraw/zinc/91/18/90/1121911890.db2.gz XLJUFGWQSMWSFU-GDBMZVCRSA-N 1 2 349.544 3.867 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000763222940 1121911891 /nfs/dbraw/zinc/91/18/91/1121911891.db2.gz XLJUFGWQSMWSFU-GDBMZVCRSA-N 1 2 349.544 3.867 20 0 EHADLO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCCCn1cc[nH+]c1 ZINC000763288388 1121943646 /nfs/dbraw/zinc/94/36/46/1121943646.db2.gz UKIKKZQIMUDBOH-NSHDSACASA-N 1 2 343.210 3.591 20 0 EHADLO COCc1c(C(=O)OCCCn2cc[nH+]c2)sc2cccc(F)c21 ZINC000763294087 1121945169 /nfs/dbraw/zinc/94/51/69/1121945169.db2.gz OIVYBKINSWTCKB-UHFFFAOYSA-N 1 2 348.399 3.630 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763331327 1121962515 /nfs/dbraw/zinc/96/25/15/1121962515.db2.gz GQHDZEOFJSSBCD-SFHVURJKSA-N 1 2 346.430 3.572 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763331327 1121962519 /nfs/dbraw/zinc/96/25/19/1121962519.db2.gz GQHDZEOFJSSBCD-SFHVURJKSA-N 1 2 346.430 3.572 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000496155135 1121975140 /nfs/dbraw/zinc/97/51/40/1121975140.db2.gz AABSPVHYTZATHG-UHFFFAOYSA-N 1 2 342.399 3.589 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1nnc2ccccn21 ZINC000036969067 1121993321 /nfs/dbraw/zinc/99/33/21/1121993321.db2.gz AKJSREXFXZDZGN-RYUDHWBXSA-N 1 2 345.244 3.904 20 0 EHADLO C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)Cc2ccccc21 ZINC000916371922 1122133668 /nfs/dbraw/zinc/13/36/68/1122133668.db2.gz OOQMOTBOBJQQOA-INIZCTEOSA-N 1 2 331.419 3.691 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC34CCC4)sc2C1 ZINC000496727128 1122161704 /nfs/dbraw/zinc/16/17/04/1122161704.db2.gz XTMAVWJLQWTMLD-UHFFFAOYSA-N 1 2 349.500 3.565 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC34CCC4)sc2C1 ZINC000496727128 1122161706 /nfs/dbraw/zinc/16/17/06/1122161706.db2.gz XTMAVWJLQWTMLD-UHFFFAOYSA-N 1 2 349.500 3.565 20 0 EHADLO COc1cccc(CCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000125360523 1122314232 /nfs/dbraw/zinc/31/42/32/1122314232.db2.gz APZOCWRTKZPJSB-UHFFFAOYSA-N 1 2 340.467 3.572 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000064632204 1122318388 /nfs/dbraw/zinc/31/83/88/1122318388.db2.gz UWWOKVUNUAXYDI-UHFFFAOYSA-N 1 2 338.451 3.785 20 0 EHADLO CCn1cccc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000497101476 1122336426 /nfs/dbraw/zinc/33/64/26/1122336426.db2.gz VDKLULZXALDAFS-UHFFFAOYSA-N 1 2 330.432 3.540 20 0 EHADLO C[N@H+](Cc1ncc(Cl)s1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497177654 1122358223 /nfs/dbraw/zinc/35/82/23/1122358223.db2.gz LCHGYPPYZBDLNO-NSHDSACASA-N 1 2 345.896 3.532 20 0 EHADLO C[N@@H+](Cc1ncc(Cl)s1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497177654 1122358232 /nfs/dbraw/zinc/35/82/32/1122358232.db2.gz LCHGYPPYZBDLNO-NSHDSACASA-N 1 2 345.896 3.532 20 0 EHADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccc(F)cc1 ZINC000126557651 1122412184 /nfs/dbraw/zinc/41/21/84/1122412184.db2.gz UUVJTNUKNNYFDG-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccc(F)cc1 ZINC000126557651 1122412189 /nfs/dbraw/zinc/41/21/89/1122412189.db2.gz UUVJTNUKNNYFDG-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO CSc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126634281 1122416029 /nfs/dbraw/zinc/41/60/29/1122416029.db2.gz VQVSORZGWFXEGF-QGZVFWFLSA-N 1 2 335.494 3.922 20 0 EHADLO CSc1ccc(OCC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126634281 1122416031 /nfs/dbraw/zinc/41/60/31/1122416031.db2.gz VQVSORZGWFXEGF-QGZVFWFLSA-N 1 2 335.494 3.922 20 0 EHADLO CC(C)c1ncc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000126743210 1122422108 /nfs/dbraw/zinc/42/21/08/1122422108.db2.gz GSXCEGGJDGJDRU-LBPRGKRZSA-N 1 2 349.525 3.505 20 0 EHADLO CC(C)c1ncc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000126743210 1122422117 /nfs/dbraw/zinc/42/21/17/1122422117.db2.gz GSXCEGGJDGJDRU-LBPRGKRZSA-N 1 2 349.525 3.505 20 0 EHADLO CNc1ccc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)c[nH+]1 ZINC001203454645 1122495989 /nfs/dbraw/zinc/49/59/89/1122495989.db2.gz IAZSYSDYMKRDKX-UHFFFAOYSA-N 1 2 334.358 3.716 20 0 EHADLO Cc1cc(C)cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067557321 1122521251 /nfs/dbraw/zinc/52/12/51/1122521251.db2.gz LRXDOBVHWSLJCV-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccoc2)cc1 ZINC000497471981 1122559366 /nfs/dbraw/zinc/55/93/66/1122559366.db2.gz TVMMEXHTWZAZFP-INIZCTEOSA-N 1 2 328.456 3.787 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccoc2)cc1 ZINC000497471981 1122559372 /nfs/dbraw/zinc/55/93/72/1122559372.db2.gz TVMMEXHTWZAZFP-INIZCTEOSA-N 1 2 328.456 3.787 20 0 EHADLO CC[N@H+](Cn1nnn(-c2ccc(C)cc2C)c1=S)C1CCCC1 ZINC000917463267 1122608803 /nfs/dbraw/zinc/60/88/03/1122608803.db2.gz ZMYXDYKOKFPLOR-UHFFFAOYSA-N 1 2 331.489 3.637 20 0 EHADLO CC[N@@H+](Cn1nnn(-c2ccc(C)cc2C)c1=S)C1CCCC1 ZINC000917463267 1122608808 /nfs/dbraw/zinc/60/88/08/1122608808.db2.gz ZMYXDYKOKFPLOR-UHFFFAOYSA-N 1 2 331.489 3.637 20 0 EHADLO C[C@@H](SCc1ccc(N)nc1)[C@@H](C)SCc1ccc(N)[nH+]c1 ZINC000917535161 1122631078 /nfs/dbraw/zinc/63/10/78/1122631078.db2.gz ABOSWANICZIZPM-VXGBXAGGSA-N 1 2 334.514 3.585 20 0 EHADLO Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000918003546 1122730075 /nfs/dbraw/zinc/73/00/75/1122730075.db2.gz JCQMPABYEOCZBF-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1ncc[nH]1 ZINC000660142804 1122896923 /nfs/dbraw/zinc/89/69/23/1122896923.db2.gz KPJSPAJBGKFFQT-UHFFFAOYSA-N 1 2 332.860 3.835 20 0 EHADLO C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1ncc[nH]1 ZINC000660142804 1122896928 /nfs/dbraw/zinc/89/69/28/1122896928.db2.gz KPJSPAJBGKFFQT-UHFFFAOYSA-N 1 2 332.860 3.835 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000918739771 1122903167 /nfs/dbraw/zinc/90/31/67/1122903167.db2.gz AFMDBOANWWEIJX-MRXNPFEDSA-N 1 2 333.863 3.835 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000918739771 1122903170 /nfs/dbraw/zinc/90/31/70/1122903170.db2.gz AFMDBOANWWEIJX-MRXNPFEDSA-N 1 2 333.863 3.835 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)s2)c2cnn[nH]2)cc1 ZINC000556262637 1122905230 /nfs/dbraw/zinc/90/52/30/1122905230.db2.gz CBSGQCXSBWUHID-HNNXBMFYSA-N 1 2 336.823 3.580 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)s2)c2cn[nH]n2)cc1 ZINC000556262637 1122905232 /nfs/dbraw/zinc/90/52/32/1122905232.db2.gz CBSGQCXSBWUHID-HNNXBMFYSA-N 1 2 336.823 3.580 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC000556279615 1122910033 /nfs/dbraw/zinc/91/00/33/1122910033.db2.gz WKEYJEGSNPITOB-NKELODKYSA-N 1 2 342.483 3.592 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000672866965 1129091896 /nfs/dbraw/zinc/09/18/96/1129091896.db2.gz WOCZTPOOFHEGIL-UHFFFAOYSA-N 1 2 333.260 3.635 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccsc2C(=O)OC)o1 ZINC000130798655 1123000258 /nfs/dbraw/zinc/00/02/58/1123000258.db2.gz BIKHZUNCBAWPQE-AWEZNQCLSA-N 1 2 335.425 3.611 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccsc2C(=O)OC)o1 ZINC000130798655 1123000263 /nfs/dbraw/zinc/00/02/63/1123000263.db2.gz BIKHZUNCBAWPQE-AWEZNQCLSA-N 1 2 335.425 3.611 20 0 EHADLO COc1ncc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1Cl ZINC000556584045 1123047423 /nfs/dbraw/zinc/04/74/23/1123047423.db2.gz OKOOHILRVFQGEH-NSHDSACASA-N 1 2 342.830 3.846 20 0 EHADLO C[C@H](NCc1c[nH+]c2n1CCCC2)c1nc(C(F)(F)F)cs1 ZINC000556607634 1123056773 /nfs/dbraw/zinc/05/67/73/1123056773.db2.gz ACWBEYPTHIKNLW-VIFPVBQESA-N 1 2 330.379 3.546 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ncc(C(C)C)s3)CC2)cc1F ZINC000498844274 1123081719 /nfs/dbraw/zinc/08/17/19/1123081719.db2.gz NTXIBBAKQDZJEB-UHFFFAOYSA-N 1 2 349.475 3.736 20 0 EHADLO CC(C)c1cnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000498872759 1123094429 /nfs/dbraw/zinc/09/44/29/1123094429.db2.gz JMXSKSGFKFIJJJ-MRXNPFEDSA-N 1 2 331.485 3.752 20 0 EHADLO CCc1cccc(C)c1NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674176 1123140840 /nfs/dbraw/zinc/14/08/40/1123140840.db2.gz ASGCGSUMPHJMSD-UHFFFAOYSA-N 1 2 335.407 3.761 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000556842861 1123147015 /nfs/dbraw/zinc/14/70/15/1123147015.db2.gz SOSICLBXAGATLY-KMFMINBZSA-N 1 2 346.862 3.561 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556860766 1123156160 /nfs/dbraw/zinc/15/61/60/1123156160.db2.gz USSMPCWGSAKCGO-BZSNNMDCSA-N 1 2 347.503 3.762 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000170786188 1123161202 /nfs/dbraw/zinc/16/12/02/1123161202.db2.gz XXXYEVYCWMEXIZ-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000170786188 1123161204 /nfs/dbraw/zinc/16/12/04/1123161204.db2.gz XXXYEVYCWMEXIZ-QGZVFWFLSA-N 1 2 328.387 3.610 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCSCC1 ZINC000132323988 1123219019 /nfs/dbraw/zinc/21/90/19/1123219019.db2.gz SAPCAOCXAGKSLR-HNNXBMFYSA-N 1 2 348.512 3.522 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1sccc1C1CC1 ZINC000065893530 1129106841 /nfs/dbraw/zinc/10/68/41/1129106841.db2.gz PWZMZHSIXIUDRU-UHFFFAOYSA-N 1 2 342.464 3.710 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000499153281 1123253339 /nfs/dbraw/zinc/25/33/39/1123253339.db2.gz RRKTZJADQJGISD-GOSISDBHSA-N 1 2 338.536 3.600 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2ccsc2C1 ZINC000132748126 1123295116 /nfs/dbraw/zinc/29/51/16/1123295116.db2.gz PZDCKLXSGUEZKN-ZDUSSCGKSA-N 1 2 344.505 3.634 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2ccsc2C1 ZINC000132748126 1123295118 /nfs/dbraw/zinc/29/51/18/1123295118.db2.gz PZDCKLXSGUEZKN-ZDUSSCGKSA-N 1 2 344.505 3.634 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000074428516 1123301649 /nfs/dbraw/zinc/30/16/49/1123301649.db2.gz OWYVCEXVVYHHBN-GOSISDBHSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000074485125 1123306824 /nfs/dbraw/zinc/30/68/24/1123306824.db2.gz CUJOLLWODOLSKD-MRXNPFEDSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000074819748 1123332771 /nfs/dbraw/zinc/33/27/71/1123332771.db2.gz PRJURMKJSNPGCB-UHFFFAOYSA-N 1 2 329.425 3.796 20 0 EHADLO Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000075409062 1123395321 /nfs/dbraw/zinc/39/53/21/1123395321.db2.gz XRHQKOHRTUUHKX-UHFFFAOYSA-N 1 2 340.452 3.666 20 0 EHADLO C[N@H+](Cc1nc(CCc2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000075622612 1123407952 /nfs/dbraw/zinc/40/79/52/1123407952.db2.gz ILBJANSKVLLIOM-LJQANCHMSA-N 1 2 333.435 3.974 20 0 EHADLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000075622612 1123407955 /nfs/dbraw/zinc/40/79/55/1123407955.db2.gz ILBJANSKVLLIOM-LJQANCHMSA-N 1 2 333.435 3.974 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2s1 ZINC000920767894 1123422053 /nfs/dbraw/zinc/42/20/53/1123422053.db2.gz NFTNDDABNIEHPD-MRXNPFEDSA-N 1 2 327.453 3.943 20 0 EHADLO Cc1ccc(SCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000920767589 1123422251 /nfs/dbraw/zinc/42/22/51/1123422251.db2.gz INKJKTBDBBVLSF-MRXNPFEDSA-N 1 2 331.485 3.515 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(F)cc1Cl ZINC000920768447 1123422493 /nfs/dbraw/zinc/42/24/93/1123422493.db2.gz RDLQZPIEAZKKRP-CQSZACIVSA-N 1 2 341.789 3.659 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921200672 1123478360 /nfs/dbraw/zinc/47/83/60/1123478360.db2.gz ILCUQPQQWQPRQY-QGZVFWFLSA-N 1 2 348.450 3.611 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)Cn1cc(Br)cn1 ZINC000921186793 1123480605 /nfs/dbraw/zinc/48/06/05/1123480605.db2.gz XSMWXCSYFGKICM-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)Cn1cc(Br)cn1 ZINC000921186793 1123480609 /nfs/dbraw/zinc/48/06/09/1123480609.db2.gz XSMWXCSYFGKICM-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC(C)([NH2+]Cc1cnc(C2CC2)s1)c1cn(-c2ccccc2)nn1 ZINC000134404665 1123521200 /nfs/dbraw/zinc/52/12/00/1123521200.db2.gz DMGJGNYRCYSOLG-UHFFFAOYSA-N 1 2 339.468 3.626 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000135047881 1123577052 /nfs/dbraw/zinc/57/70/52/1123577052.db2.gz KRDOXBJPLCPJIV-GOSISDBHSA-N 1 2 336.414 3.958 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000135047881 1123577055 /nfs/dbraw/zinc/57/70/55/1123577055.db2.gz KRDOXBJPLCPJIV-GOSISDBHSA-N 1 2 336.414 3.958 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)n1)c1ccccc1 ZINC000175161216 1123608748 /nfs/dbraw/zinc/60/87/48/1123608748.db2.gz OJNVSIZYNXHKEJ-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1)c1ccccc1 ZINC000175161216 1123608754 /nfs/dbraw/zinc/60/87/54/1123608754.db2.gz OJNVSIZYNXHKEJ-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(NCC(C)C)s2)c1C ZINC000078709188 1123646781 /nfs/dbraw/zinc/64/67/81/1123646781.db2.gz XJYQRBKWFCQKFR-UHFFFAOYSA-N 1 2 338.502 3.919 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC[C@H]3C(C)C)cn2c1 ZINC000609768895 1123658982 /nfs/dbraw/zinc/65/89/82/1123658982.db2.gz UCMIKMHXLIBMEH-KRWDZBQOSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cs1 ZINC000136043193 1123659740 /nfs/dbraw/zinc/65/97/40/1123659740.db2.gz BSOUUEAKUXSZGE-UHFFFAOYSA-N 1 2 337.533 3.615 20 0 EHADLO Cn1c(C[NH+]2CCC(c3ccccc3F)CC2)nnc1C1CCC1 ZINC000543032179 1129137507 /nfs/dbraw/zinc/13/75/07/1129137507.db2.gz DGZBQEDGEIANTP-UHFFFAOYSA-N 1 2 328.435 3.601 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000136215803 1123677670 /nfs/dbraw/zinc/67/76/70/1123677670.db2.gz IIPCQWNUPHNXFR-SFHVURJKSA-N 1 2 325.412 3.709 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c(F)c1 ZINC000136462697 1123697677 /nfs/dbraw/zinc/69/76/77/1123697677.db2.gz YSCRYNQQONIVJK-UHFFFAOYSA-N 1 2 336.432 3.711 20 0 EHADLO O=S(=O)(CCC[N@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000079888270 1123729767 /nfs/dbraw/zinc/72/97/67/1123729767.db2.gz OGCMSYXAHLDVTA-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000079888270 1123729769 /nfs/dbraw/zinc/72/97/69/1123729769.db2.gz OGCMSYXAHLDVTA-IBGZPJMESA-N 1 2 347.455 3.827 20 0 EHADLO COc1ccccc1SCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000138068432 1123810627 /nfs/dbraw/zinc/81/06/27/1123810627.db2.gz TUSNTGDQMXSUID-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081574649 1123849176 /nfs/dbraw/zinc/84/91/76/1123849176.db2.gz OKCCHPAHXKVDMS-DJJJIMSYSA-N 1 2 344.842 3.980 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081574649 1123849180 /nfs/dbraw/zinc/84/91/80/1123849180.db2.gz OKCCHPAHXKVDMS-DJJJIMSYSA-N 1 2 344.842 3.980 20 0 EHADLO Cc1oc(C)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C ZINC000670776154 1123876168 /nfs/dbraw/zinc/87/61/68/1123876168.db2.gz VIAZNZHSVXWQQR-UHFFFAOYSA-N 1 2 339.395 3.733 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000615962836 1123919072 /nfs/dbraw/zinc/91/90/72/1123919072.db2.gz IQXICSMOXHNQFO-ZACQAIPSSA-N 1 2 343.858 3.931 20 0 EHADLO CCN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775923 1123949546 /nfs/dbraw/zinc/94/95/46/1123949546.db2.gz YAZKPAPVRGQGPF-LRSLUSHPSA-N 1 2 341.543 3.646 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1nnc2n1CCCCC2 ZINC000428847168 1129155508 /nfs/dbraw/zinc/15/55/08/1129155508.db2.gz TXEWJMXWDUVQOE-SNVBAGLBSA-N 1 2 344.406 3.936 20 0 EHADLO COc1ccc2nc(Cl)c(C(=O)Nc3cc[nH+]c(C)c3)cc2c1 ZINC000180271829 1123973342 /nfs/dbraw/zinc/97/33/42/1123973342.db2.gz RHOYUTFVGJUFNK-UHFFFAOYSA-N 1 2 327.771 3.853 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1nc(C2CC2)cs1)c1ccccc1 ZINC000180274463 1123975205 /nfs/dbraw/zinc/97/52/05/1123975205.db2.gz DAINSHLTXPWVDX-KRWDZBQOSA-N 1 2 330.453 3.757 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1nc(C2CC2)cs1)c1ccccc1 ZINC000180274463 1123975207 /nfs/dbraw/zinc/97/52/07/1123975207.db2.gz DAINSHLTXPWVDX-KRWDZBQOSA-N 1 2 330.453 3.757 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000616270289 1123977449 /nfs/dbraw/zinc/97/74/49/1123977449.db2.gz CLEPCRYLBHJLGH-RKTXRCNFSA-N 1 2 343.858 3.630 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246070438 1124012629 /nfs/dbraw/zinc/01/26/29/1124012629.db2.gz HUMSFGMATCSRTB-HUUCEWRRSA-N 1 2 342.439 3.691 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246070438 1124012632 /nfs/dbraw/zinc/01/26/32/1124012632.db2.gz HUMSFGMATCSRTB-HUUCEWRRSA-N 1 2 342.439 3.691 20 0 EHADLO Cc1[nH+]c(NCc2ccc3c(c2)C[C@H](C)O3)ccc1-c1cnn(C)c1 ZINC000922150250 1129162174 /nfs/dbraw/zinc/16/21/74/1129162174.db2.gz OVYQEFQRXMAIHY-ZDUSSCGKSA-N 1 2 334.423 3.726 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cn3ncn(C(C)(C)C)c3=S)C2)cc1 ZINC000068876053 1124047331 /nfs/dbraw/zinc/04/73/31/1124047331.db2.gz CXZLSPKYSOCMNP-OAHLLOKOSA-N 1 2 346.500 3.625 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cn3ncn(C(C)(C)C)c3=S)C2)cc1 ZINC000068876053 1124047336 /nfs/dbraw/zinc/04/73/36/1124047336.db2.gz CXZLSPKYSOCMNP-OAHLLOKOSA-N 1 2 346.500 3.625 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000617249447 1124456522 /nfs/dbraw/zinc/45/65/22/1124456522.db2.gz MAUVJHNUVYYHFM-LBPRGKRZSA-N 1 2 332.835 3.558 20 0 EHADLO Clc1nccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001236587819 1124464183 /nfs/dbraw/zinc/46/41/83/1124464183.db2.gz DBJOCMBPCFIEGK-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1nccc(Br)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001236587819 1124464185 /nfs/dbraw/zinc/46/41/85/1124464185.db2.gz DBJOCMBPCFIEGK-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000246543558 1124506599 /nfs/dbraw/zinc/50/65/99/1124506599.db2.gz CYUCDUSPHICIEK-ILRDRHFLSA-N 1 2 340.471 3.846 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407331 1124526128 /nfs/dbraw/zinc/52/61/28/1124526128.db2.gz FVOIOUFUUUUYDG-MRXNPFEDSA-N 1 2 339.483 3.995 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407331 1124526138 /nfs/dbraw/zinc/52/61/38/1124526138.db2.gz FVOIOUFUUUUYDG-MRXNPFEDSA-N 1 2 339.483 3.995 20 0 EHADLO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000246820701 1124553189 /nfs/dbraw/zinc/55/31/89/1124553189.db2.gz QAIPGPPYEFQMNF-CVEARBPZSA-N 1 2 341.858 3.664 20 0 EHADLO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000246820701 1124553198 /nfs/dbraw/zinc/55/31/98/1124553198.db2.gz QAIPGPPYEFQMNF-CVEARBPZSA-N 1 2 341.858 3.664 20 0 EHADLO CCC[N@@H+](Cc1nc([C@H](C)SCC)no1)C[C@H]1CCCCO1 ZINC000247359310 1124606860 /nfs/dbraw/zinc/60/68/60/1124606860.db2.gz YQIXYCFQIRCVGF-UONOGXRCSA-N 1 2 327.494 3.665 20 0 EHADLO CCC[N@H+](Cc1nc([C@H](C)SCC)no1)C[C@H]1CCCCO1 ZINC000247359310 1124606864 /nfs/dbraw/zinc/60/68/64/1124606864.db2.gz YQIXYCFQIRCVGF-UONOGXRCSA-N 1 2 327.494 3.665 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000247706735 1124623499 /nfs/dbraw/zinc/62/34/99/1124623499.db2.gz ZBUGUSPQWYTJKR-GDBMZVCRSA-N 1 2 331.485 3.795 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000247706735 1124623506 /nfs/dbraw/zinc/62/35/06/1124623506.db2.gz ZBUGUSPQWYTJKR-GDBMZVCRSA-N 1 2 331.485 3.795 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734812416 1131279729 /nfs/dbraw/zinc/27/97/29/1131279729.db2.gz OERAYLQBCMBXRY-AEFFLSMTSA-N 1 2 327.472 3.916 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000249087294 1124736405 /nfs/dbraw/zinc/73/64/05/1124736405.db2.gz CBIZNWMZLZZWLK-RUCARUNLSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)c1ccsc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069391558 1124743030 /nfs/dbraw/zinc/74/30/30/1124743030.db2.gz ULMXBEADPNKAHF-UHFFFAOYSA-N 1 2 325.437 3.987 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000249300360 1124750887 /nfs/dbraw/zinc/75/08/87/1124750887.db2.gz DIOJMLNVOWNXDL-JHJVBQTASA-N 1 2 339.277 3.754 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249462652 1124757023 /nfs/dbraw/zinc/75/70/23/1124757023.db2.gz FWIHVSYRCGMGPJ-IAGOWNOFSA-N 1 2 336.838 3.841 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2=CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249462652 1124757030 /nfs/dbraw/zinc/75/70/30/1124757030.db2.gz FWIHVSYRCGMGPJ-IAGOWNOFSA-N 1 2 336.838 3.841 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2c1C ZINC000735040797 1131304148 /nfs/dbraw/zinc/30/41/48/1131304148.db2.gz VOZHYJYANSXXJP-GOSISDBHSA-N 1 2 338.455 3.826 20 0 EHADLO CC(C)(NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000735183853 1131316751 /nfs/dbraw/zinc/31/67/51/1131316751.db2.gz ARKPFESFJKQYIC-UHFFFAOYSA-N 1 2 340.452 3.668 20 0 EHADLO O=C(CSCC(F)(F)F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000090498999 1124915427 /nfs/dbraw/zinc/91/54/27/1124915427.db2.gz YSPKQOWUAGYQBP-UHFFFAOYSA-N 1 2 349.765 3.760 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618182678 1125014339 /nfs/dbraw/zinc/01/43/39/1125014339.db2.gz NHQQMTGIEWPGPJ-HXUWFJFHSA-N 1 2 337.467 3.974 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000181832416 1125056738 /nfs/dbraw/zinc/05/67/38/1125056738.db2.gz WVSAMJIGSKJUIG-LLVKDONJSA-N 1 2 333.319 3.801 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000182056255 1125141456 /nfs/dbraw/zinc/14/14/56/1125141456.db2.gz DIZKTBXMGGTONW-UHFFFAOYSA-N 1 2 336.391 3.802 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000182056255 1125141461 /nfs/dbraw/zinc/14/14/61/1125141461.db2.gz DIZKTBXMGGTONW-UHFFFAOYSA-N 1 2 336.391 3.802 20 0 EHADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C1CC1 ZINC000618865051 1125220038 /nfs/dbraw/zinc/22/00/38/1125220038.db2.gz ZMCOTOBKKYQLHZ-QGZVFWFLSA-N 1 2 337.467 3.531 20 0 EHADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C1CC1 ZINC000618865051 1125220041 /nfs/dbraw/zinc/22/00/41/1125220041.db2.gz ZMCOTOBKKYQLHZ-QGZVFWFLSA-N 1 2 337.467 3.531 20 0 EHADLO C[C@@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc2C1(C)C ZINC000619018130 1125266171 /nfs/dbraw/zinc/26/61/71/1125266171.db2.gz BHPWGYSLGXUCNA-AWEZNQCLSA-N 1 2 332.407 3.594 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000093606420 1125274566 /nfs/dbraw/zinc/27/45/66/1125274566.db2.gz ZJFPRJKGOJCUCP-BEFAXECRSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cnc12 ZINC000093606420 1125274572 /nfs/dbraw/zinc/27/45/72/1125274572.db2.gz ZJFPRJKGOJCUCP-BEFAXECRSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cnc12 ZINC000093606420 1125274575 /nfs/dbraw/zinc/27/45/75/1125274575.db2.gz ZJFPRJKGOJCUCP-BEFAXECRSA-N 1 2 339.414 3.744 20 0 EHADLO COC(=O)C[N@H+](Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000093707472 1125292809 /nfs/dbraw/zinc/29/28/09/1125292809.db2.gz URFBUHQUSFULQQ-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO COC(=O)C[N@@H+](Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000093707472 1125292815 /nfs/dbraw/zinc/29/28/15/1125292815.db2.gz URFBUHQUSFULQQ-UHFFFAOYSA-N 1 2 336.482 3.789 20 0 EHADLO Cc1ccc(CNC(=O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)cc1 ZINC000763568908 1125343390 /nfs/dbraw/zinc/34/33/90/1125343390.db2.gz ZKIKNLQTELKSCV-YBEGLDIGSA-N 1 2 341.282 3.642 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c1 ZINC000182792355 1125366703 /nfs/dbraw/zinc/36/67/03/1125366703.db2.gz UFFUGRAYJVTZNX-QGZVFWFLSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c1 ZINC000182792355 1125366707 /nfs/dbraw/zinc/36/67/07/1125366707.db2.gz UFFUGRAYJVTZNX-QGZVFWFLSA-N 1 2 339.483 3.605 20 0 EHADLO O=C(NCCCC1CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152681963 1125369107 /nfs/dbraw/zinc/36/91/07/1125369107.db2.gz VMIZKSWAVNHTSV-RBUKOAKNSA-N 1 2 338.455 3.601 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000735469034 1131351023 /nfs/dbraw/zinc/35/10/23/1131351023.db2.gz RMDJFLDJNCBQRV-SGQUHAKNSA-N 1 2 348.450 3.676 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000619682242 1125381662 /nfs/dbraw/zinc/38/16/62/1125381662.db2.gz NCEBPIRRBTWQJK-OALUTQOASA-N 1 2 340.471 3.689 20 0 EHADLO CC[N@H+](Cc1cc2ccccc2o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000153221476 1125454757 /nfs/dbraw/zinc/45/47/57/1125454757.db2.gz KUDIZPLIFDRBFQ-UHFFFAOYSA-N 1 2 333.391 3.691 20 0 EHADLO CC[N@@H+](Cc1cc2ccccc2o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000153221476 1125454760 /nfs/dbraw/zinc/45/47/60/1125454760.db2.gz KUDIZPLIFDRBFQ-UHFFFAOYSA-N 1 2 333.391 3.691 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1C ZINC000466087296 1129180799 /nfs/dbraw/zinc/18/07/99/1129180799.db2.gz QXKHYLXWPSSLDH-IRXDYDNUSA-N 1 2 345.487 3.817 20 0 EHADLO CC(C)OCCC[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000265817992 1129185317 /nfs/dbraw/zinc/18/53/17/1129185317.db2.gz AGJGGNBOYLNONO-UHFFFAOYSA-N 1 2 334.485 3.969 20 0 EHADLO CC(C)OCCC[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000265817992 1129185319 /nfs/dbraw/zinc/18/53/19/1129185319.db2.gz AGJGGNBOYLNONO-UHFFFAOYSA-N 1 2 334.485 3.969 20 0 EHADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)OCc1c[nH+]cn1C ZINC000085989109 1129191150 /nfs/dbraw/zinc/19/11/50/1129191150.db2.gz WQKXIEJRWOAISA-UHFFFAOYSA-N 1 2 341.436 3.826 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)N[C@H](C)Cn3cc[nH+]c3)c2)n1 ZINC000338808567 1129212962 /nfs/dbraw/zinc/21/29/62/1129212962.db2.gz HIEOIQDQSUPEAY-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO CCCc1c(C(=O)Nc2cccc3[nH+]ccn32)cnn1C1CCCC1 ZINC000543120363 1129254119 /nfs/dbraw/zinc/25/41/19/1129254119.db2.gz CXZRBIIISAMZEE-UHFFFAOYSA-N 1 2 337.427 3.851 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)CN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000543133432 1129268507 /nfs/dbraw/zinc/26/85/07/1129268507.db2.gz RYDADWPLWUYLKV-FZKQIMNGSA-N 1 2 334.423 3.638 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1c(Cl)n[nH]c1C1CC1 ZINC000922330489 1129473934 /nfs/dbraw/zinc/47/39/34/1129473934.db2.gz XJBYGFVNILAUBW-UHFFFAOYSA-N 1 2 345.834 3.549 20 0 EHADLO CC(C)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)ccc1O ZINC000922378658 1129509873 /nfs/dbraw/zinc/50/98/73/1129509873.db2.gz UQVOBWASIVIHSH-SFHVURJKSA-N 1 2 339.439 3.514 20 0 EHADLO CC(C)c1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)ccc1O ZINC000922378658 1129509876 /nfs/dbraw/zinc/50/98/76/1129509876.db2.gz UQVOBWASIVIHSH-SFHVURJKSA-N 1 2 339.439 3.514 20 0 EHADLO CCCCOc1ccccc1C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922489372 1129550705 /nfs/dbraw/zinc/55/07/05/1129550705.db2.gz HGYVCSXWYBXUFC-UHFFFAOYSA-N 1 2 333.501 3.673 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000922526000 1129562574 /nfs/dbraw/zinc/56/25/74/1129562574.db2.gz OYCHEIWQPGNYSE-KSSFIOAISA-N 1 2 327.359 3.540 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000078640310 1129568007 /nfs/dbraw/zinc/56/80/07/1129568007.db2.gz WZAJMJLLDAUYPS-MNOVXSKESA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000078640310 1129568009 /nfs/dbraw/zinc/56/80/09/1129568009.db2.gz WZAJMJLLDAUYPS-MNOVXSKESA-N 1 2 347.322 3.636 20 0 EHADLO COc1ccc(Cl)c(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954047 1129591835 /nfs/dbraw/zinc/59/18/35/1129591835.db2.gz XBDKZXUMCDHDLX-HNNXBMFYSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(C(C)C)nn2)c2ccccc2)cc1 ZINC000673599643 1129603522 /nfs/dbraw/zinc/60/35/22/1129603522.db2.gz VEYNGAOXSUYSKM-HXUWFJFHSA-N 1 2 336.439 3.747 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000509008324 1129642221 /nfs/dbraw/zinc/64/22/21/1129642221.db2.gz WETDAXGJPKFQDZ-KRWDZBQOSA-N 1 2 328.412 3.922 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000509008324 1129642223 /nfs/dbraw/zinc/64/22/23/1129642223.db2.gz WETDAXGJPKFQDZ-KRWDZBQOSA-N 1 2 328.412 3.922 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000282403265 1129702288 /nfs/dbraw/zinc/70/22/88/1129702288.db2.gz BYKPRSMINIANCN-NSHDSACASA-N 1 2 342.365 3.783 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922882988 1129704762 /nfs/dbraw/zinc/70/47/62/1129704762.db2.gz VTQPZSVBFNGXJI-HNNXBMFYSA-N 1 2 333.229 3.717 20 0 EHADLO COc1cncc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)n1 ZINC000625227150 1129774711 /nfs/dbraw/zinc/77/47/11/1129774711.db2.gz YVVOHOQHLVXKQQ-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1cncc(C[N@H+]2CCC[C@H]2c2ccccc2Br)n1 ZINC000625227150 1129774712 /nfs/dbraw/zinc/77/47/12/1129774712.db2.gz YVVOHOQHLVXKQQ-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741594 1129823305 /nfs/dbraw/zinc/82/33/05/1129823305.db2.gz ZUGFQQHVDITMJT-OAHLLOKOSA-N 1 2 349.883 3.934 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741594 1129823308 /nfs/dbraw/zinc/82/33/08/1129823308.db2.gz ZUGFQQHVDITMJT-OAHLLOKOSA-N 1 2 349.883 3.934 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673758310 1129832398 /nfs/dbraw/zinc/83/23/98/1129832398.db2.gz MYWQBNRVKDQHLZ-UHFFFAOYSA-N 1 2 336.439 3.878 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(Cl)cc3)[nH+]c12 ZINC000673758386 1129834768 /nfs/dbraw/zinc/83/47/68/1129834768.db2.gz OWJDOEPWVFPSDY-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673762248 1129836198 /nfs/dbraw/zinc/83/61/98/1129836198.db2.gz MWYHKOZEUMVQAW-NVXWUHKLSA-N 1 2 334.423 3.819 20 0 EHADLO CCC1CCC(N(C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673781183 1129842865 /nfs/dbraw/zinc/84/28/65/1129842865.db2.gz NPADRUPSXBBXFD-UHFFFAOYSA-N 1 2 342.487 3.795 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000673780999 1129842930 /nfs/dbraw/zinc/84/29/30/1129842930.db2.gz IURASXRXHYQEJM-LJQANCHMSA-N 1 2 348.450 3.732 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1CC(OCc2ccccc2)C1 ZINC000673795266 1129848027 /nfs/dbraw/zinc/84/80/27/1129848027.db2.gz GDGQDXOHFDRFSJ-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)c(F)c1 ZINC000625371231 1129848196 /nfs/dbraw/zinc/84/81/96/1129848196.db2.gz OSOFODRLXHPGAM-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)c(F)c1 ZINC000625371231 1129848202 /nfs/dbraw/zinc/84/82/02/1129848202.db2.gz OSOFODRLXHPGAM-VIFPVBQESA-N 1 2 338.732 3.692 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000429136739 1129854910 /nfs/dbraw/zinc/85/49/10/1129854910.db2.gz AIPAOYUEAGYQLE-GOSISDBHSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@H](CNC(=O)c1cc2c(cccc2Cl)s1)Cn1cc[nH+]c1 ZINC000673841792 1129880384 /nfs/dbraw/zinc/88/03/84/1129880384.db2.gz HGHICXKRQFZWQY-LLVKDONJSA-N 1 2 333.844 3.817 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000347842160 1129913821 /nfs/dbraw/zinc/91/38/21/1129913821.db2.gz QIMAFNOYZQDOOC-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673980769 1129932275 /nfs/dbraw/zinc/93/22/75/1129932275.db2.gz WLSXCQFHOBUODT-FUHWJXTLSA-N 1 2 342.487 3.782 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429185155 1129937236 /nfs/dbraw/zinc/93/72/36/1129937236.db2.gz VBZUWNZEQMONFC-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000429185155 1129937237 /nfs/dbraw/zinc/93/72/37/1129937237.db2.gz VBZUWNZEQMONFC-SJORKVTESA-N 1 2 338.451 3.914 20 0 EHADLO CCc1ccc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)cn1 ZINC000347870107 1129949623 /nfs/dbraw/zinc/94/96/23/1129949623.db2.gz FZFAPCIHKIHKLM-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO CCc1ccc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)cn1 ZINC000347870107 1129949624 /nfs/dbraw/zinc/94/96/24/1129949624.db2.gz FZFAPCIHKIHKLM-UHFFFAOYSA-N 1 2 325.456 3.721 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000674009757 1129956731 /nfs/dbraw/zinc/95/67/31/1129956731.db2.gz LEQRRBSLICVLFZ-KFKAGJAMSA-N 1 2 330.447 3.754 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000674009757 1129956734 /nfs/dbraw/zinc/95/67/34/1129956734.db2.gz LEQRRBSLICVLFZ-KFKAGJAMSA-N 1 2 330.447 3.754 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012718 1129958765 /nfs/dbraw/zinc/95/87/65/1129958765.db2.gz XZGUJTMGAOKNNE-KSMMKXTCSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012718 1129958767 /nfs/dbraw/zinc/95/87/67/1129958767.db2.gz XZGUJTMGAOKNNE-KSMMKXTCSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1noc(Cc2ccccc2)n1 ZINC000543547750 1129959922 /nfs/dbraw/zinc/95/99/22/1129959922.db2.gz FGXQYTHPTREFQF-AWEZNQCLSA-N 1 2 341.386 3.529 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012574 1129961003 /nfs/dbraw/zinc/96/10/03/1129961003.db2.gz FBKQEIAPBZQRQX-DNVCBOLYSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012574 1129961006 /nfs/dbraw/zinc/96/10/06/1129961006.db2.gz FBKQEIAPBZQRQX-DNVCBOLYSA-N 1 2 326.415 3.620 20 0 EHADLO COCCOCc1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000347886313 1129981109 /nfs/dbraw/zinc/98/11/09/1129981109.db2.gz TUPFPHLMBQJLJX-UHFFFAOYSA-N 1 2 347.405 3.686 20 0 EHADLO COCCOCc1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000347886313 1129981111 /nfs/dbraw/zinc/98/11/11/1129981111.db2.gz TUPFPHLMBQJLJX-UHFFFAOYSA-N 1 2 347.405 3.686 20 0 EHADLO CC1(C)[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@H]1c1ccccc1 ZINC001128619871 1130006251 /nfs/dbraw/zinc/00/62/51/1130006251.db2.gz FUDKTTIHZRBMEV-QRVBRYPASA-N 1 2 336.435 3.501 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000674120836 1130008781 /nfs/dbraw/zinc/00/87/81/1130008781.db2.gz VENAUBDXHXJFPY-NRFANRHFSA-N 1 2 347.462 3.806 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674372038 1130077728 /nfs/dbraw/zinc/07/77/28/1130077728.db2.gz XGKXNNWLFJKYHT-YOEHRIQHSA-N 1 2 342.468 3.578 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675386668 1130347140 /nfs/dbraw/zinc/34/71/40/1130347140.db2.gz JBOUWKBJUHMWPO-HNNXBMFYSA-N 1 2 346.406 3.680 20 0 EHADLO COc1cc(CN(C)c2nc(C)[nH+]c(C)c2C)ccc1OC(F)F ZINC000675548304 1130426308 /nfs/dbraw/zinc/42/63/08/1130426308.db2.gz LAUUMSPHDZLLDW-UHFFFAOYSA-N 1 2 337.370 3.648 20 0 EHADLO Cc1sc(NC(=O)[C@@H]2CCCC[N@H+]2C)nc1-c1ccc(C)cc1 ZINC000675622850 1130432502 /nfs/dbraw/zinc/43/25/02/1130432502.db2.gz XEEUEUUKUWZNMI-HNNXBMFYSA-N 1 2 329.469 3.850 20 0 EHADLO Cc1sc(NC(=O)[C@@H]2CCCC[N@@H+]2C)nc1-c1ccc(C)cc1 ZINC000675622850 1130432506 /nfs/dbraw/zinc/43/25/06/1130432506.db2.gz XEEUEUUKUWZNMI-HNNXBMFYSA-N 1 2 329.469 3.850 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)n1 ZINC000675893879 1130497177 /nfs/dbraw/zinc/49/71/77/1130497177.db2.gz UHIDFMMOLIRTMW-CYBMUJFWSA-N 1 2 344.850 3.549 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]2CCCO2)c1 ZINC000659861291 1130525085 /nfs/dbraw/zinc/52/50/85/1130525085.db2.gz BKKJEXKJYNZNFE-KRWDZBQOSA-N 1 2 330.403 3.872 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cc(C3CC3)no2)C[C@@H]2CCCO2)c1 ZINC000659861291 1130525095 /nfs/dbraw/zinc/52/50/95/1130525095.db2.gz BKKJEXKJYNZNFE-KRWDZBQOSA-N 1 2 330.403 3.872 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000676331559 1130565743 /nfs/dbraw/zinc/56/57/43/1130565743.db2.gz MSAFBEIHITTYHV-QGZVFWFLSA-N 1 2 333.382 3.695 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCCc2ccccc21 ZINC000731003650 1130759902 /nfs/dbraw/zinc/75/99/02/1130759902.db2.gz LSHDANSEBDCEBA-IEBWSBKVSA-N 1 2 339.483 3.924 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c(=S)s1 ZINC000731205518 1130778853 /nfs/dbraw/zinc/77/88/53/1130778853.db2.gz VTSIQPZHBJRRQF-HNNXBMFYSA-N 1 2 348.541 3.795 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c(=S)s1 ZINC000731205518 1130778856 /nfs/dbraw/zinc/77/88/56/1130778856.db2.gz VTSIQPZHBJRRQF-HNNXBMFYSA-N 1 2 348.541 3.795 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H]2CCc3ccccc3C2)c1C ZINC000732538009 1130933560 /nfs/dbraw/zinc/93/35/60/1130933560.db2.gz HHUVYHGKOQBZJB-MRXNPFEDSA-N 1 2 338.451 3.518 20 0 EHADLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000732986828 1130979102 /nfs/dbraw/zinc/97/91/02/1130979102.db2.gz NUYWEBUHOAEUFN-RWKZGTHUSA-N 1 2 336.426 3.797 20 0 EHADLO CC1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000732986828 1130979104 /nfs/dbraw/zinc/97/91/04/1130979104.db2.gz NUYWEBUHOAEUFN-RWKZGTHUSA-N 1 2 336.426 3.797 20 0 EHADLO Cc1nc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cs1 ZINC000733099417 1130992038 /nfs/dbraw/zinc/99/20/38/1130992038.db2.gz RXTVCRDEOWIPIO-UHFFFAOYSA-N 1 2 346.843 3.862 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297471 1131023216 /nfs/dbraw/zinc/02/32/16/1131023216.db2.gz NVYBBEGYNNXJIV-IUODEOHRSA-N 1 2 326.362 3.668 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000733297471 1131023221 /nfs/dbraw/zinc/02/32/21/1131023221.db2.gz NVYBBEGYNNXJIV-IUODEOHRSA-N 1 2 326.362 3.668 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C)cc2)o1)c1c(C)nn(C)c1C ZINC000347988802 1131110459 /nfs/dbraw/zinc/11/04/59/1131110459.db2.gz BZYRTWKGVPOOGM-INIZCTEOSA-N 1 2 339.443 3.636 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(Oc4cccnc4)nc3)n2c1 ZINC000348053132 1131129464 /nfs/dbraw/zinc/12/94/64/1131129464.db2.gz VLOSGEIEWYDTDM-UHFFFAOYSA-N 1 2 331.379 3.837 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000282651864 1131132603 /nfs/dbraw/zinc/13/26/03/1131132603.db2.gz DSUGQZGGPVJEJD-LBTNJELSSA-N 1 2 339.439 3.638 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000282651873 1131132812 /nfs/dbraw/zinc/13/28/12/1131132812.db2.gz DSUGQZGGPVJEJD-PMUMKWKESA-N 1 2 339.439 3.638 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000348041644 1131134934 /nfs/dbraw/zinc/13/49/34/1131134934.db2.gz IBVJJNNGBGYZMH-CQSZACIVSA-N 1 2 337.423 3.665 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000348041644 1131134937 /nfs/dbraw/zinc/13/49/37/1131134937.db2.gz IBVJJNNGBGYZMH-CQSZACIVSA-N 1 2 337.423 3.665 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc2c(c1)CCC[N@H+]2C ZINC000282677375 1131146671 /nfs/dbraw/zinc/14/66/71/1131146671.db2.gz OCIOUJWHFUNIKW-UHFFFAOYSA-N 1 2 347.466 3.879 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000282677375 1131146674 /nfs/dbraw/zinc/14/66/74/1131146674.db2.gz OCIOUJWHFUNIKW-UHFFFAOYSA-N 1 2 347.466 3.879 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734009835 1131182478 /nfs/dbraw/zinc/18/24/78/1131182478.db2.gz XNHJEXLONKQMTQ-WMZOPIPTSA-N 1 2 340.471 3.888 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734009832 1131182576 /nfs/dbraw/zinc/18/25/76/1131182576.db2.gz XNHJEXLONKQMTQ-AEFFLSMTSA-N 1 2 340.471 3.888 20 0 EHADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(C)c(C)c2)oc1=S ZINC000738077268 1131460009 /nfs/dbraw/zinc/46/00/09/1131460009.db2.gz RRMJZZUGUIKTIL-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(C)c(C)c2)oc1=S ZINC000738077268 1131460011 /nfs/dbraw/zinc/46/00/11/1131460011.db2.gz RRMJZZUGUIKTIL-HNNXBMFYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@H](C(C)(C)C)CC3)c2=S)n1 ZINC000738238045 1131465807 /nfs/dbraw/zinc/46/58/07/1131465807.db2.gz DXGWBIVWIPYQAI-HNNXBMFYSA-N 1 2 347.532 3.983 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@H](C(C)(C)C)CC3)c2=S)n1 ZINC000738238045 1131465809 /nfs/dbraw/zinc/46/58/09/1131465809.db2.gz DXGWBIVWIPYQAI-HNNXBMFYSA-N 1 2 347.532 3.983 20 0 EHADLO C/C(=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000740727637 1131538459 /nfs/dbraw/zinc/53/84/59/1131538459.db2.gz VZSXOKQEJYXYCC-KZUZRMFNSA-N 1 2 341.499 3.798 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860916 1131553998 /nfs/dbraw/zinc/55/39/98/1131553998.db2.gz SIPWMRHRDZRWBK-UONOGXRCSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)c1 ZINC000740860916 1131554003 /nfs/dbraw/zinc/55/40/03/1131554003.db2.gz SIPWMRHRDZRWBK-UONOGXRCSA-N 1 2 333.457 3.781 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741144940 1131577677 /nfs/dbraw/zinc/57/76/77/1131577677.db2.gz HGRFCBKUMGJQRD-DAYGRLMNSA-N 1 2 346.471 3.555 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741144940 1131577682 /nfs/dbraw/zinc/57/76/82/1131577682.db2.gz HGRFCBKUMGJQRD-DAYGRLMNSA-N 1 2 346.471 3.555 20 0 EHADLO CCCCCC[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000742038463 1131685052 /nfs/dbraw/zinc/68/50/52/1131685052.db2.gz NMMNBLAJGFRWGZ-SFHVURJKSA-N 1 2 346.515 3.742 20 0 EHADLO CC(C)c1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1Cc1ccco1 ZINC000742167603 1131692355 /nfs/dbraw/zinc/69/23/55/1131692355.db2.gz YIKFZMSXNKXYGU-GASCZTMLSA-N 1 2 346.500 3.724 20 0 EHADLO CC(C)c1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(=S)n1Cc1ccco1 ZINC000742167603 1131692357 /nfs/dbraw/zinc/69/23/57/1131692357.db2.gz YIKFZMSXNKXYGU-GASCZTMLSA-N 1 2 346.500 3.724 20 0 EHADLO CC(C)COCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172469223 1131733085 /nfs/dbraw/zinc/73/30/85/1131733085.db2.gz AGEXXQLJWVYCTL-IRXDYDNUSA-N 1 2 349.519 3.638 20 0 EHADLO CC(C)COCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001172469223 1131733092 /nfs/dbraw/zinc/73/30/92/1131733092.db2.gz AGEXXQLJWVYCTL-IRXDYDNUSA-N 1 2 349.519 3.638 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)CCOCC(C)C ZINC001172478518 1131737922 /nfs/dbraw/zinc/73/79/22/1131737922.db2.gz AWQDMQBZVAWEDV-OAHLLOKOSA-N 1 2 327.490 3.564 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)CCOCC(C)C ZINC001172478518 1131737930 /nfs/dbraw/zinc/73/79/30/1131737930.db2.gz AWQDMQBZVAWEDV-OAHLLOKOSA-N 1 2 327.490 3.564 20 0 EHADLO Cc1cccc(Br)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668393 1131766942 /nfs/dbraw/zinc/76/69/42/1131766942.db2.gz WKPNELZPAJJZJM-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Br)c1 ZINC001212668441 1131767193 /nfs/dbraw/zinc/76/71/93/1131767193.db2.gz YRQUIXAQHXGRFL-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO Brc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172565453 1131774206 /nfs/dbraw/zinc/77/42/06/1131774206.db2.gz YSGUNWXNJREJSW-CABCVRRESA-N 1 2 346.272 3.798 20 0 EHADLO Brc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172565453 1131774208 /nfs/dbraw/zinc/77/42/08/1131774208.db2.gz YSGUNWXNJREJSW-CABCVRRESA-N 1 2 346.272 3.798 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3OC(F)(F)F)cc2)C1 ZINC001212668144 1131783837 /nfs/dbraw/zinc/78/38/37/1131783837.db2.gz JRSAHAOKUKHQHT-UHFFFAOYSA-N 1 2 338.329 3.505 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172579815 1131792446 /nfs/dbraw/zinc/79/24/46/1131792446.db2.gz ZDYVKHFTTWIHPZ-BONVTDFDSA-N 1 2 333.806 3.871 20 0 EHADLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623491 1131809160 /nfs/dbraw/zinc/80/91/60/1131809160.db2.gz RMAOBSSEZIRPKT-CABCVRRESA-N 1 2 342.464 3.858 20 0 EHADLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623491 1131809173 /nfs/dbraw/zinc/80/91/73/1131809173.db2.gz RMAOBSSEZIRPKT-CABCVRRESA-N 1 2 342.464 3.858 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710000 1131832705 /nfs/dbraw/zinc/83/27/05/1131832705.db2.gz ACZBIYFMGDDOSR-QUCCMNQESA-N 1 2 343.854 3.571 20 0 EHADLO CCC[C@@H]([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OCc1ccccc1 ZINC001172753171 1131835265 /nfs/dbraw/zinc/83/52/65/1131835265.db2.gz SLWUCWSXGZLOGL-SJLPKXTDSA-N 1 2 349.471 3.608 20 0 EHADLO CCCC[C@](CC)([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OCC ZINC001172757732 1131835728 /nfs/dbraw/zinc/83/57/28/1131835728.db2.gz BLDQHNIERMIXOC-QAPCUYQASA-N 1 2 329.481 3.598 20 0 EHADLO CSCC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc2C1)C(=O)OC(C)(C)C ZINC001172834641 1131857431 /nfs/dbraw/zinc/85/74/31/1131857431.db2.gz HHGAIOUTCRFUSA-MSOLQXFVSA-N 1 2 349.540 3.905 20 0 EHADLO COc1cc(C[N@@H+]2CCCC[C@@](C)(F)C2)cc(Br)c1O ZINC001204101525 1131871503 /nfs/dbraw/zinc/87/15/03/1131871503.db2.gz NQNALPDQVRDCCX-OAHLLOKOSA-N 1 2 346.240 3.877 20 0 EHADLO COc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)cc(Br)c1O ZINC001204101525 1131871511 /nfs/dbraw/zinc/87/15/11/1131871511.db2.gz NQNALPDQVRDCCX-OAHLLOKOSA-N 1 2 346.240 3.877 20 0 EHADLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CCCC1 ZINC001172853828 1131873187 /nfs/dbraw/zinc/87/31/87/1131873187.db2.gz CDUIMVNYRKONRO-LBPRGKRZSA-N 1 2 327.827 3.876 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000743348397 1131905331 /nfs/dbraw/zinc/90/53/31/1131905331.db2.gz MGJILUAYOKGVPT-UHFFFAOYSA-N 1 2 349.272 3.526 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000743348397 1131905337 /nfs/dbraw/zinc/90/53/37/1131905337.db2.gz MGJILUAYOKGVPT-UHFFFAOYSA-N 1 2 349.272 3.526 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000743350006 1131905884 /nfs/dbraw/zinc/90/58/84/1131905884.db2.gz HPCYUIWPSNQPMJ-ZDUSSCGKSA-N 1 2 336.838 3.599 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000743350006 1131905892 /nfs/dbraw/zinc/90/58/92/1131905892.db2.gz HPCYUIWPSNQPMJ-ZDUSSCGKSA-N 1 2 336.838 3.599 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000743348729 1131906446 /nfs/dbraw/zinc/90/64/46/1131906446.db2.gz GJPTZPUEGMUATD-KBXCAEBGSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000743348729 1131906453 /nfs/dbraw/zinc/90/64/53/1131906453.db2.gz GJPTZPUEGMUATD-KBXCAEBGSA-N 1 2 328.843 3.949 20 0 EHADLO COC(=O)c1c(C)scc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693932 1131921963 /nfs/dbraw/zinc/92/19/63/1131921963.db2.gz AABSDCBHLCNDOU-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO c1cn(Cc2ccc(Nc3cnc4cc(C5CC5)nn4c3)cc2)c[nH+]1 ZINC001212695095 1131923726 /nfs/dbraw/zinc/92/37/26/1131923726.db2.gz NDNJRFMYALZDOZ-UHFFFAOYSA-N 1 2 330.395 3.595 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212697977 1131936775 /nfs/dbraw/zinc/93/67/75/1131936775.db2.gz FFTOPAHNZJTGFP-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1SC(F)(F)F ZINC000743839308 1131983191 /nfs/dbraw/zinc/98/31/91/1131983191.db2.gz CLBWBVLJKIYNNM-MNOVXSKESA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1SC(F)(F)F ZINC000743839308 1131983197 /nfs/dbraw/zinc/98/31/97/1131983197.db2.gz CLBWBVLJKIYNNM-MNOVXSKESA-N 1 2 335.391 3.916 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2ccccc2nc1C)c1ccc(F)c(F)c1 ZINC000181428938 1132062589 /nfs/dbraw/zinc/06/25/89/1132062589.db2.gz SSRCNAFYFRWAJE-LJQANCHMSA-N 1 2 343.377 3.694 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484936 1132076398 /nfs/dbraw/zinc/07/63/98/1132076398.db2.gz BHYNNHXPQIDOCY-KRWDZBQOSA-N 1 2 337.410 3.628 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484936 1132076405 /nfs/dbraw/zinc/07/64/05/1132076405.db2.gz BHYNNHXPQIDOCY-KRWDZBQOSA-N 1 2 337.410 3.628 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)ccc1O ZINC001204117775 1132086563 /nfs/dbraw/zinc/08/65/63/1132086563.db2.gz GAHKQHDLJGWTOP-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1cc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)ccc1O ZINC001204117775 1132086567 /nfs/dbraw/zinc/08/65/67/1132086567.db2.gz GAHKQHDLJGWTOP-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1[C@H](C)c1ccccc1 ZINC000744406722 1132090496 /nfs/dbraw/zinc/09/04/96/1132090496.db2.gz OEABGHQCYOVTQR-DLBZAZTESA-N 1 2 342.483 3.600 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1[C@H](C)c1ccccc1 ZINC000744406722 1132090504 /nfs/dbraw/zinc/09/05/04/1132090504.db2.gz OEABGHQCYOVTQR-DLBZAZTESA-N 1 2 342.483 3.600 20 0 EHADLO CCC1(C)CC[NH+](Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000744433018 1132095793 /nfs/dbraw/zinc/09/57/93/1132095793.db2.gz DWNSWGGASWWMKC-UHFFFAOYSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000745084930 1132190845 /nfs/dbraw/zinc/19/08/45/1132190845.db2.gz LSRDVGYEARACNF-YJBOKZPZSA-N 1 2 346.471 3.556 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000745084930 1132190848 /nfs/dbraw/zinc/19/08/48/1132190848.db2.gz LSRDVGYEARACNF-YJBOKZPZSA-N 1 2 346.471 3.556 20 0 EHADLO CC(C)CNC(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001174192586 1132276886 /nfs/dbraw/zinc/27/68/86/1132276886.db2.gz JJEKEPZXMOTLQR-UHFFFAOYSA-N 1 2 338.455 3.811 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001174267535 1132306067 /nfs/dbraw/zinc/30/60/67/1132306067.db2.gz ADWHGNAIVPLQAQ-UHFFFAOYSA-N 1 2 349.843 3.913 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cccc4c(=O)[nH][nH]c(=O)c34)ccc21 ZINC001174383285 1132344576 /nfs/dbraw/zinc/34/45/76/1132344576.db2.gz MVEOTIPRCKAXJM-UHFFFAOYSA-N 1 2 335.367 3.715 20 0 EHADLO COC(=O)c1ccc(OC)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)n1 ZINC001174382525 1132345038 /nfs/dbraw/zinc/34/50/38/1132345038.db2.gz UQDKLUOHHKEHDT-UHFFFAOYSA-N 1 2 340.383 3.551 20 0 EHADLO CCC[N@@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(C)cc21 ZINC000746037159 1132350102 /nfs/dbraw/zinc/35/01/02/1132350102.db2.gz HFJSOTYLLADPGZ-UHFFFAOYSA-N 1 2 328.387 3.912 20 0 EHADLO CCC[N@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(C)cc21 ZINC000746037159 1132350111 /nfs/dbraw/zinc/35/01/11/1132350111.db2.gz HFJSOTYLLADPGZ-UHFFFAOYSA-N 1 2 328.387 3.912 20 0 EHADLO Cc1ccc(C)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174431879 1132352527 /nfs/dbraw/zinc/35/25/27/1132352527.db2.gz FNFYEUYUHHOWSB-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3csc4cncn43)c2)[nH+]c1C ZINC000746156851 1132385466 /nfs/dbraw/zinc/38/54/66/1132385466.db2.gz DICNBECPLZHAJM-UHFFFAOYSA-N 1 2 337.408 3.655 20 0 EHADLO COCCOc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174522877 1132400378 /nfs/dbraw/zinc/40/03/78/1132400378.db2.gz DQZKDOPWGYWLHM-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(OC)c1 ZINC001174524852 1132401464 /nfs/dbraw/zinc/40/14/64/1132401464.db2.gz SAPPAVAEEDMLES-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001174573130 1132402419 /nfs/dbraw/zinc/40/24/19/1132402419.db2.gz DLHXRHZAHNSDEI-ARFHVFGLSA-N 1 2 325.493 3.680 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186848806 1132424953 /nfs/dbraw/zinc/42/49/53/1132424953.db2.gz UUOFBUNCHQOBRN-AAEUAGOBSA-N 1 2 338.377 3.666 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321833 1132439487 /nfs/dbraw/zinc/43/94/87/1132439487.db2.gz YDCHQOALJMRUGH-OAHLLOKOSA-N 1 2 330.463 3.781 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321833 1132439492 /nfs/dbraw/zinc/43/94/92/1132439492.db2.gz YDCHQOALJMRUGH-OAHLLOKOSA-N 1 2 330.463 3.781 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCCC2)c1 ZINC000189150155 1132443566 /nfs/dbraw/zinc/44/35/66/1132443566.db2.gz MAOJYLSHNIXDEA-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCCC2)c1 ZINC000189150155 1132443569 /nfs/dbraw/zinc/44/35/69/1132443569.db2.gz MAOJYLSHNIXDEA-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCSc1ccc(F)cc1F)CCO2 ZINC001174819102 1132470676 /nfs/dbraw/zinc/47/06/76/1132470676.db2.gz VDRIMJFHJFZLJW-UHFFFAOYSA-N 1 2 337.391 3.657 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCSc1ccc(F)cc1F)CCO2 ZINC001174819102 1132470679 /nfs/dbraw/zinc/47/06/79/1132470679.db2.gz VDRIMJFHJFZLJW-UHFFFAOYSA-N 1 2 337.391 3.657 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000192805429 1132476331 /nfs/dbraw/zinc/47/63/31/1132476331.db2.gz FMOAIGWFMWEMDG-UHFFFAOYSA-N 1 2 338.238 3.840 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000192805429 1132476334 /nfs/dbraw/zinc/47/63/34/1132476334.db2.gz FMOAIGWFMWEMDG-UHFFFAOYSA-N 1 2 338.238 3.840 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000192885578 1132478196 /nfs/dbraw/zinc/47/81/96/1132478196.db2.gz MOFLHQBQZPGKPH-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000192885578 1132478202 /nfs/dbraw/zinc/47/82/02/1132478202.db2.gz MOFLHQBQZPGKPH-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000193287154 1132479475 /nfs/dbraw/zinc/47/94/75/1132479475.db2.gz HEDZIRSOTMBNJX-INIZCTEOSA-N 1 2 325.437 3.504 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000193287154 1132479482 /nfs/dbraw/zinc/47/94/82/1132479482.db2.gz HEDZIRSOTMBNJX-INIZCTEOSA-N 1 2 325.437 3.504 20 0 EHADLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(F)c1 ZINC001174809512 1132480613 /nfs/dbraw/zinc/48/06/13/1132480613.db2.gz UNHANBQQNNJVMC-MRXNPFEDSA-N 1 2 339.451 3.549 20 0 EHADLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(F)c1 ZINC001174809512 1132480618 /nfs/dbraw/zinc/48/06/18/1132480618.db2.gz UNHANBQQNNJVMC-MRXNPFEDSA-N 1 2 339.451 3.549 20 0 EHADLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000193413585 1132480807 /nfs/dbraw/zinc/48/08/07/1132480807.db2.gz HGNOIXXROZUHJG-LBPRGKRZSA-N 1 2 339.361 3.671 20 0 EHADLO C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000193413585 1132480809 /nfs/dbraw/zinc/48/08/09/1132480809.db2.gz HGNOIXXROZUHJG-LBPRGKRZSA-N 1 2 339.361 3.671 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3ccc(Oc4cccnc4)cc3)c[nH+]2)C1 ZINC001174848227 1132486592 /nfs/dbraw/zinc/48/65/92/1132486592.db2.gz ABRJEXPYGPBAEN-KRWDZBQOSA-N 1 2 348.406 3.584 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194418473 1132488450 /nfs/dbraw/zinc/48/84/50/1132488450.db2.gz HVGZOWZXPNYOGG-UHFFFAOYSA-N 1 2 349.259 3.601 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194418473 1132488454 /nfs/dbraw/zinc/48/84/54/1132488454.db2.gz HVGZOWZXPNYOGG-UHFFFAOYSA-N 1 2 349.259 3.601 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)OCO3)c2[nH+]ccn2c1 ZINC001174861423 1132490112 /nfs/dbraw/zinc/49/01/12/1132490112.db2.gz KEHOMFGZWGDGDQ-UHFFFAOYSA-N 1 2 332.157 3.569 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1Br ZINC001174976242 1132510501 /nfs/dbraw/zinc/51/05/01/1132510501.db2.gz PAARCQCJIAYRBC-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(=S)o1 ZINC000766382969 1132523469 /nfs/dbraw/zinc/52/34/69/1132523469.db2.gz VUPXINHTGXKNKK-QWHCGFSZSA-N 1 2 333.457 3.817 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(=S)o1 ZINC000766382969 1132523474 /nfs/dbraw/zinc/52/34/74/1132523474.db2.gz VUPXINHTGXKNKK-QWHCGFSZSA-N 1 2 333.457 3.817 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000766408519 1132532566 /nfs/dbraw/zinc/53/25/66/1132532566.db2.gz FQTSRVKXWBDWNY-UHFFFAOYSA-N 1 2 330.438 3.508 20 0 EHADLO Fc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1C(F)(F)F ZINC001175073019 1132560099 /nfs/dbraw/zinc/56/00/99/1132560099.db2.gz JPRHSDWLSYSHIU-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CCOc1ccc(C)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001175123782 1132573583 /nfs/dbraw/zinc/57/35/83/1132573583.db2.gz VLMCPYYQESEHSP-UHFFFAOYSA-N 1 2 326.440 3.970 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3cccc(C(F)(F)F)c3F)c[nH+]2)C1 ZINC001175134580 1132577375 /nfs/dbraw/zinc/57/73/75/1132577375.db2.gz SKNZVBZFLLUYFO-NSHDSACASA-N 1 2 341.308 3.554 20 0 EHADLO CC(C)Oc1cc(F)cc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001175138899 1132578129 /nfs/dbraw/zinc/57/81/29/1132578129.db2.gz BFIBZNIOPLZYFK-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cncc2ccccc21 ZINC000766521806 1132595676 /nfs/dbraw/zinc/59/56/76/1132595676.db2.gz VERIJOSEFIOYBN-UHFFFAOYSA-N 1 2 332.407 3.843 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NCCC(=O)Nc2ccccc2)c1C ZINC001168976593 1132617385 /nfs/dbraw/zinc/61/73/85/1132617385.db2.gz ZEAOTUIGKXVRBH-UHFFFAOYSA-N 1 2 326.444 3.832 20 0 EHADLO CC(=O)c1ccc(F)c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001175270985 1132625677 /nfs/dbraw/zinc/62/56/77/1132625677.db2.gz QWAXQPLOCCOVPI-BETUJISGSA-N 1 2 343.402 3.781 20 0 EHADLO CN(C)c1ccc(Nc2ccccc2CNC(=O)OC(C)(C)C)c[nH+]1 ZINC001175345296 1132627120 /nfs/dbraw/zinc/62/71/20/1132627120.db2.gz VXVNDXBWMNYTCV-UHFFFAOYSA-N 1 2 342.443 3.916 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)c[nH+]1 ZINC001175346105 1132628809 /nfs/dbraw/zinc/62/88/09/1132628809.db2.gz MXIOLWMKRBJKSI-AWEZNQCLSA-N 1 2 331.391 3.588 20 0 EHADLO COc1cc(F)cc2ccc(NCCc3cn4ccccc4[nH+]3)nc21 ZINC001169003355 1132628990 /nfs/dbraw/zinc/62/89/90/1132628990.db2.gz ZOTRYWSVSCTSED-UHFFFAOYSA-N 1 2 336.370 3.685 20 0 EHADLO COc1nc(NCCc2cn3ccccc3[nH+]2)cc2cc(F)ccc21 ZINC001169005804 1132630620 /nfs/dbraw/zinc/63/06/20/1132630620.db2.gz YWXYCXCVNLYUCF-UHFFFAOYSA-N 1 2 336.370 3.685 20 0 EHADLO Brc1sccc1CNc1ccc2c([nH+]1)CCOC2 ZINC001169057331 1132645854 /nfs/dbraw/zinc/64/58/54/1132645854.db2.gz LRDZSRSPWFZBSN-UHFFFAOYSA-N 1 2 325.231 3.590 20 0 EHADLO CC1(C)NC(=O)Nc2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc21 ZINC001175353168 1132647511 /nfs/dbraw/zinc/64/75/11/1132647511.db2.gz WKKVGOJJCICCIB-UHFFFAOYSA-N 1 2 337.427 3.796 20 0 EHADLO c1cnc2ccc(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc2c1 ZINC001175375867 1132654371 /nfs/dbraw/zinc/65/43/71/1132654371.db2.gz CBIVJWPBQGMUTO-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO C[S@@](=O)c1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001175471036 1132675774 /nfs/dbraw/zinc/67/57/74/1132675774.db2.gz MVNYHZLUVFUZPD-XMMPIXPASA-N 1 2 347.440 3.910 20 0 EHADLO C/C(=C\C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1cccc(F)c1 ZINC001169157843 1132681826 /nfs/dbraw/zinc/68/18/26/1132681826.db2.gz AMZNYKPTWZVGEH-FOWTUZBSSA-N 1 2 349.409 3.909 20 0 EHADLO Cn1c[nH+]c2ccc(NC3CCN(c4ncccc4Cl)CC3)cc21 ZINC001169168922 1132690940 /nfs/dbraw/zinc/69/09/40/1132690940.db2.gz MEHGPBVSCBVXBA-UHFFFAOYSA-N 1 2 341.846 3.703 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC001175512431 1132696150 /nfs/dbraw/zinc/69/61/50/1132696150.db2.gz KXSHQLDMCKSKGP-BRWVUGGUSA-N 1 2 343.389 3.950 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)CCO1 ZINC001175512431 1132696154 /nfs/dbraw/zinc/69/61/54/1132696154.db2.gz KXSHQLDMCKSKGP-BRWVUGGUSA-N 1 2 343.389 3.950 20 0 EHADLO CC(C)c1cc(NCC2CCC3(CCC(=O)N3)CC2)nc(C(C)C)[nH+]1 ZINC001169293017 1132719620 /nfs/dbraw/zinc/71/96/20/1132719620.db2.gz HCHQXWYJFCSANA-UHFFFAOYSA-N 1 2 344.503 3.974 20 0 EHADLO CC[N@H+](Cc1nccc(Cl)c1Cl)[C@H](CO)c1ccccc1 ZINC001175661939 1132733195 /nfs/dbraw/zinc/73/31/95/1132733195.db2.gz UNWBGCFCNCPOIO-OAHLLOKOSA-N 1 2 325.239 3.944 20 0 EHADLO CC[N@@H+](Cc1nccc(Cl)c1Cl)[C@H](CO)c1ccccc1 ZINC001175661939 1132733197 /nfs/dbraw/zinc/73/31/97/1132733197.db2.gz UNWBGCFCNCPOIO-OAHLLOKOSA-N 1 2 325.239 3.944 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(O)c(Br)c2)c[nH+]1 ZINC001175712533 1132739926 /nfs/dbraw/zinc/73/99/26/1132739926.db2.gz CVLHGXJFPHARJJ-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO CC(C)OC(=O)c1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713106 1132740039 /nfs/dbraw/zinc/74/00/39/1132740039.db2.gz QACNUNXASCCHHO-UHFFFAOYSA-N 1 2 339.317 3.991 20 0 EHADLO Cc1ncc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1Br ZINC001175710179 1132755480 /nfs/dbraw/zinc/75/54/80/1132755480.db2.gz XJURNXUFOIQBIB-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cn3c(cccc3Cl)n2)c[nH+]1 ZINC001175711483 1132755960 /nfs/dbraw/zinc/75/59/60/1132755960.db2.gz YDSINLZSJJWHFB-UHFFFAOYSA-N 1 2 327.697 3.727 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(N[C@H]2CCc3ccccc3[C@H]2O)c1C ZINC001169627264 1132800903 /nfs/dbraw/zinc/80/09/03/1132800903.db2.gz RRZMYMZIALTQCP-DLBZAZTESA-N 1 2 325.456 3.851 20 0 EHADLO CCOc1ccc2ccccc2c1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001175981994 1132806479 /nfs/dbraw/zinc/80/64/79/1132806479.db2.gz ACXVBOBLOLCPIO-KRWDZBQOSA-N 1 2 349.434 3.948 20 0 EHADLO COc1cc[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176089423 1132832963 /nfs/dbraw/zinc/83/29/63/1132832963.db2.gz RRYAQCLXNURREE-KGLIPLIRSA-N 1 2 331.416 3.558 20 0 EHADLO Cc1cn2cccc(Nc3ccc(Cl)c(C(=O)N(C)C)c3)c2[nH+]1 ZINC001176149923 1132846830 /nfs/dbraw/zinc/84/68/30/1132846830.db2.gz ZKWCNJTXLVABMY-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(I)c(F)c1 ZINC001176120581 1132852051 /nfs/dbraw/zinc/85/20/51/1132852051.db2.gz GGRGRAXVUCRHJQ-UHFFFAOYSA-N 1 2 344.127 3.578 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2cnn(C(=O)OC(C)(C)C)c2c1 ZINC001176122785 1132853942 /nfs/dbraw/zinc/85/39/42/1132853942.db2.gz IEIZOIRJCRAGMX-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO CCc1ncsc1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001176218561 1132878028 /nfs/dbraw/zinc/87/80/28/1132878028.db2.gz BWVUIDAHVUTPKQ-UHFFFAOYSA-N 1 2 326.425 3.965 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc2nsnc21 ZINC000766913219 1132913241 /nfs/dbraw/zinc/91/32/41/1132913241.db2.gz DRHWADMZFWXIPI-QGZVFWFLSA-N 1 2 349.463 3.915 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc2nsnc21 ZINC000766913219 1132913247 /nfs/dbraw/zinc/91/32/47/1132913247.db2.gz DRHWADMZFWXIPI-QGZVFWFLSA-N 1 2 349.463 3.915 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610266 1132971666 /nfs/dbraw/zinc/97/16/66/1132971666.db2.gz NMZMIDSPGDJYFC-MGPUTAFESA-N 1 2 329.440 3.657 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610266 1132971669 /nfs/dbraw/zinc/97/16/69/1132971669.db2.gz NMZMIDSPGDJYFC-MGPUTAFESA-N 1 2 329.440 3.657 20 0 EHADLO COc1ncc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743380 1132991321 /nfs/dbraw/zinc/99/13/21/1132991321.db2.gz JDTMIRCQVDDUTG-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ncc1Br ZINC001176743730 1132991371 /nfs/dbraw/zinc/99/13/71/1132991371.db2.gz LAUWZIVJERJGPK-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Fc1nc(Nc2ccc[nH+]c2N2CCCC2)c(F)c(Cl)c1F ZINC001176748857 1132992051 /nfs/dbraw/zinc/99/20/51/1132992051.db2.gz FKXIXSWUSLFGPJ-UHFFFAOYSA-N 1 2 328.725 3.891 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)CCc2ccccc2)CCCCC1 ZINC001176814008 1133001536 /nfs/dbraw/zinc/00/15/36/1133001536.db2.gz JBSNESWNMGYKEV-GOSISDBHSA-N 1 2 347.499 3.614 20 0 EHADLO CCc1cc(-c2ccc(NC(=O)Cc3c[nH]c[nH+]3)c(CC)c2)ccc1N ZINC001176833837 1133003689 /nfs/dbraw/zinc/00/36/89/1133003689.db2.gz YYLOWOSNRUWKHQ-UHFFFAOYSA-N 1 2 348.450 3.965 20 0 EHADLO CC(=O)c1ccc(Oc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)cc1 ZINC001176833414 1133003731 /nfs/dbraw/zinc/00/37/31/1133003731.db2.gz KYVXUXPABPRGOL-UHFFFAOYSA-N 1 2 335.363 3.586 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1nc(-c2ccccc2)cs1 ZINC000767473992 1133004446 /nfs/dbraw/zinc/00/44/46/1133004446.db2.gz SEHAIFAWSXQRRO-UHFFFAOYSA-N 1 2 327.409 3.530 20 0 EHADLO COc1cc2c(cc1NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)CCC2(C)C ZINC001176833781 1133004801 /nfs/dbraw/zinc/00/48/01/1133004801.db2.gz WXZQVZXKACQMHZ-UHFFFAOYSA-N 1 2 341.455 3.949 20 0 EHADLO O=C1[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCCN1c1cccc(F)c1 ZINC001176798685 1133005028 /nfs/dbraw/zinc/00/50/28/1133005028.db2.gz WDIHAAGQXRMHNL-SFHVURJKSA-N 1 2 344.817 3.990 20 0 EHADLO O=C1[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CCCN1c1cccc(F)c1 ZINC001176798685 1133005035 /nfs/dbraw/zinc/00/50/35/1133005035.db2.gz WDIHAAGQXRMHNL-SFHVURJKSA-N 1 2 344.817 3.990 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC001176856140 1133009336 /nfs/dbraw/zinc/00/93/36/1133009336.db2.gz KQUGYNRRYCUHDO-HNNXBMFYSA-N 1 2 345.414 3.788 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC001176856140 1133009339 /nfs/dbraw/zinc/00/93/39/1133009339.db2.gz KQUGYNRRYCUHDO-HNNXBMFYSA-N 1 2 345.414 3.788 20 0 EHADLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001176896777 1133013344 /nfs/dbraw/zinc/01/33/44/1133013344.db2.gz JBTKFAVJRZIQJS-UHFFFAOYSA-N 1 2 346.805 3.536 20 0 EHADLO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccnc(N(C)C)c1 ZINC001176957583 1133015574 /nfs/dbraw/zinc/01/55/74/1133015574.db2.gz CJPMRYBPARIIND-AWEZNQCLSA-N 1 2 344.528 3.751 20 0 EHADLO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccnc(N(C)C)c1 ZINC001176957583 1133015580 /nfs/dbraw/zinc/01/55/80/1133015580.db2.gz CJPMRYBPARIIND-AWEZNQCLSA-N 1 2 344.528 3.751 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc3cccc(Cl)c3o2)cc[nH+]1 ZINC000767563306 1133015958 /nfs/dbraw/zinc/01/59/58/1133015958.db2.gz AKOUYPOQVFGCBM-UHFFFAOYSA-N 1 2 330.771 3.904 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC001176969291 1133017400 /nfs/dbraw/zinc/01/74/00/1133017400.db2.gz BGTCZBAYWILEGQ-ZACQAIPSSA-N 1 2 329.488 3.629 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC001176970610 1133017668 /nfs/dbraw/zinc/01/76/68/1133017668.db2.gz OFXZLQJYEIRLAB-JTDSTZFVSA-N 1 2 335.451 3.663 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)s1 ZINC001177014536 1133021667 /nfs/dbraw/zinc/02/16/67/1133021667.db2.gz ZXUONDCTKKDFAK-HNNXBMFYSA-N 1 2 346.471 3.971 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3nncn3-c3ccccc3)oc21 ZINC001177225512 1133043606 /nfs/dbraw/zinc/04/36/06/1133043606.db2.gz FQHXSPUDJXTJRU-UHFFFAOYSA-N 1 2 332.407 3.866 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CC=C(c4ccc(Cl)nc4)CC3)cn21 ZINC000773660378 1133063379 /nfs/dbraw/zinc/06/33/79/1133063379.db2.gz VPIGICLOQWIPDQ-UHFFFAOYSA-N 1 2 338.842 3.980 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)cn21 ZINC000773660378 1133063380 /nfs/dbraw/zinc/06/33/80/1133063380.db2.gz VPIGICLOQWIPDQ-UHFFFAOYSA-N 1 2 338.842 3.980 20 0 EHADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccccc1SC(F)F ZINC000767903612 1133070196 /nfs/dbraw/zinc/07/01/96/1133070196.db2.gz GYMOVXXUEQPTFH-UHFFFAOYSA-N 1 2 346.443 3.687 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccccc1SC(F)F ZINC000767903612 1133070200 /nfs/dbraw/zinc/07/02/00/1133070200.db2.gz GYMOVXXUEQPTFH-UHFFFAOYSA-N 1 2 346.443 3.687 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c(C)c[nH+]1 ZINC000767949796 1133074985 /nfs/dbraw/zinc/07/49/85/1133074985.db2.gz ZCOROLDEDUUPSU-KRWDZBQOSA-N 1 2 337.423 3.688 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177623125 1133087250 /nfs/dbraw/zinc/08/72/50/1133087250.db2.gz VQNANZJLHBFBPA-GOSISDBHSA-N 1 2 336.391 3.742 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177623125 1133087253 /nfs/dbraw/zinc/08/72/53/1133087253.db2.gz VQNANZJLHBFBPA-GOSISDBHSA-N 1 2 336.391 3.742 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1c(F)cccc1F)C2 ZINC001204203333 1133101165 /nfs/dbraw/zinc/10/11/65/1133101165.db2.gz VHJHBXLRXAVHKO-SFHVURJKSA-N 1 2 338.398 3.550 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001204203333 1133101168 /nfs/dbraw/zinc/10/11/68/1133101168.db2.gz VHJHBXLRXAVHKO-SFHVURJKSA-N 1 2 338.398 3.550 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc1F ZINC000768199338 1133105969 /nfs/dbraw/zinc/10/59/69/1133105969.db2.gz HBCXXLCOVFJKMZ-UHFFFAOYSA-N 1 2 325.387 3.856 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc1F ZINC000768199338 1133105975 /nfs/dbraw/zinc/10/59/75/1133105975.db2.gz HBCXXLCOVFJKMZ-UHFFFAOYSA-N 1 2 325.387 3.856 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)cc1F ZINC000768199338 1133105978 /nfs/dbraw/zinc/10/59/78/1133105978.db2.gz HBCXXLCOVFJKMZ-UHFFFAOYSA-N 1 2 325.387 3.856 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)cc1F ZINC000768199338 1133105984 /nfs/dbraw/zinc/10/59/84/1133105984.db2.gz HBCXXLCOVFJKMZ-UHFFFAOYSA-N 1 2 325.387 3.856 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(F)cccc2F)C1 ZINC001204206145 1133109106 /nfs/dbraw/zinc/10/91/06/1133109106.db2.gz RPXNGGHYFYXDTK-QWHCGFSZSA-N 1 2 340.414 3.700 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204206145 1133109109 /nfs/dbraw/zinc/10/91/09/1133109109.db2.gz RPXNGGHYFYXDTK-QWHCGFSZSA-N 1 2 340.414 3.700 20 0 EHADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(c1ccccc1)c1ccccc1 ZINC001178101192 1133131883 /nfs/dbraw/zinc/13/18/83/1133131883.db2.gz RZBCBARXNVPBNP-IBGZPJMESA-N 1 2 345.446 3.694 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)no1 ZINC000768430786 1133138200 /nfs/dbraw/zinc/13/82/00/1133138200.db2.gz RTRRLLOQPYMNQN-INIZCTEOSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccncc3)s2)no1 ZINC000768430786 1133138202 /nfs/dbraw/zinc/13/82/02/1133138202.db2.gz RTRRLLOQPYMNQN-INIZCTEOSA-N 1 2 326.425 3.839 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC001204214310 1133152765 /nfs/dbraw/zinc/15/27/65/1133152765.db2.gz WDAFQCHZZBZVPU-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1F ZINC001204214310 1133152769 /nfs/dbraw/zinc/15/27/69/1133152769.db2.gz WDAFQCHZZBZVPU-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1CCC(c2ccccc2)CC1 ZINC001178922336 1133213374 /nfs/dbraw/zinc/21/33/74/1133213374.db2.gz KMEGRGBQWNBRRG-UHFFFAOYSA-N 1 2 337.467 3.879 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000769074464 1133226374 /nfs/dbraw/zinc/22/63/74/1133226374.db2.gz LUAYLSNCDXSIPG-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000769074464 1133226377 /nfs/dbraw/zinc/22/63/77/1133226377.db2.gz LUAYLSNCDXSIPG-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)Cc2cncc3ccccc32)[nH+]1 ZINC001179092406 1133227631 /nfs/dbraw/zinc/22/76/31/1133227631.db2.gz MOJHFQLNENELFW-AWEZNQCLSA-N 1 2 336.439 3.576 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)Cc2cncc3ccccc32)c[nH+]1 ZINC001179092406 1133227636 /nfs/dbraw/zinc/22/76/36/1133227636.db2.gz MOJHFQLNENELFW-AWEZNQCLSA-N 1 2 336.439 3.576 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2Cl)c2ccccc2)cc1 ZINC001179128761 1133230722 /nfs/dbraw/zinc/23/07/22/1133230722.db2.gz GIFAMFVSZQEBFF-SFHVURJKSA-N 1 2 341.842 3.961 20 0 EHADLO CCCN1CC[C@@H]([NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001179238494 1133237896 /nfs/dbraw/zinc/23/78/96/1133237896.db2.gz PKOJEJAPFLGHJW-CYBMUJFWSA-N 1 2 330.303 3.633 20 0 EHADLO Fc1ncc(Br)cc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC001206376567 1133242486 /nfs/dbraw/zinc/24/24/86/1133242486.db2.gz JIAGKJUSTXUEKD-ZFWWWQNUSA-N 1 2 339.183 3.710 20 0 EHADLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1cnn(-c2ccccc2)n1 ZINC001179473100 1133254480 /nfs/dbraw/zinc/25/44/80/1133254480.db2.gz MLFZBPHYBMKDFL-UHFFFAOYSA-N 1 2 346.438 3.984 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3cc(C4CC4)n(C)n3)s2)o1 ZINC001179665868 1133272890 /nfs/dbraw/zinc/27/28/90/1133272890.db2.gz HDSVXPMJFMQWRY-UHFFFAOYSA-N 1 2 328.441 3.612 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cc(C(F)(F)F)n[nH]1 ZINC001179809500 1133285769 /nfs/dbraw/zinc/28/57/69/1133285769.db2.gz AYXARQSWTMDIAO-UHFFFAOYSA-N 1 2 329.713 3.581 20 0 EHADLO COc1ccc[nH+]c1N[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769537492 1133311230 /nfs/dbraw/zinc/31/12/30/1133311230.db2.gz KJESYWCDOOORKZ-UONOGXRCSA-N 1 2 335.448 3.680 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000769544042 1133312648 /nfs/dbraw/zinc/31/26/48/1133312648.db2.gz RKTRVDRCJWFEJG-IBGZPJMESA-N 1 2 326.440 3.776 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000769544042 1133312655 /nfs/dbraw/zinc/31/26/55/1133312655.db2.gz RKTRVDRCJWFEJG-IBGZPJMESA-N 1 2 326.440 3.776 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC001180080481 1133326043 /nfs/dbraw/zinc/32/60/43/1133326043.db2.gz CBVGSARLXXIDLJ-IBGZPJMESA-N 1 2 344.480 3.775 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC001180080481 1133326047 /nfs/dbraw/zinc/32/60/47/1133326047.db2.gz CBVGSARLXXIDLJ-IBGZPJMESA-N 1 2 344.480 3.775 20 0 EHADLO CCC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC001180082559 1133327493 /nfs/dbraw/zinc/32/74/93/1133327493.db2.gz SATDYNAXVMVCMM-KVNDZABWSA-N 1 2 340.389 3.709 20 0 EHADLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC001180082559 1133327497 /nfs/dbraw/zinc/32/74/97/1133327497.db2.gz SATDYNAXVMVCMM-KVNDZABWSA-N 1 2 340.389 3.709 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2ccsc2)cc1)c1nnnn1C1CC1 ZINC000769803343 1133348618 /nfs/dbraw/zinc/34/86/18/1133348618.db2.gz ZYZDUAKAMQXDRL-LBPRGKRZSA-N 1 2 325.441 3.587 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001180392124 1133364636 /nfs/dbraw/zinc/36/46/36/1133364636.db2.gz AMMBBIKTSZFXIB-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001180392124 1133364638 /nfs/dbraw/zinc/36/46/38/1133364638.db2.gz AMMBBIKTSZFXIB-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180435376 1133369533 /nfs/dbraw/zinc/36/95/33/1133369533.db2.gz SPMYXBRYNBIKNP-UHFFFAOYSA-N 1 2 344.418 3.833 20 0 EHADLO COc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1F ZINC000770070080 1133383944 /nfs/dbraw/zinc/38/39/44/1133383944.db2.gz NOZNBECHXBPSJJ-MRXNPFEDSA-N 1 2 346.377 3.577 20 0 EHADLO COc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1F ZINC000770070080 1133383948 /nfs/dbraw/zinc/38/39/48/1133383948.db2.gz NOZNBECHXBPSJJ-MRXNPFEDSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1OC(C)C ZINC001180603485 1133398089 /nfs/dbraw/zinc/39/80/89/1133398089.db2.gz UUDBRGMYXTXEBC-UHFFFAOYSA-N 1 2 341.455 3.958 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770275372 1133403587 /nfs/dbraw/zinc/40/35/87/1133403587.db2.gz LKWKYSIZZAHPLX-OAHLLOKOSA-N 1 2 348.491 3.707 20 0 EHADLO Cc1cc(C[N@@H+]2CCOCC3(CC3)C2)c(Br)cc1F ZINC001180819257 1133418874 /nfs/dbraw/zinc/41/88/74/1133418874.db2.gz GTPKRJBANDYCCZ-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO Cc1cc(C[N@H+]2CCOCC3(CC3)C2)c(Br)cc1F ZINC001180819257 1133418879 /nfs/dbraw/zinc/41/88/79/1133418879.db2.gz GTPKRJBANDYCCZ-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO Fc1cc2c(c(F)c1)[C@@H]([NH2+]Cc1cc3c(ccnc3Cl)o1)CO2 ZINC001180818900 1133418985 /nfs/dbraw/zinc/41/89/85/1133418985.db2.gz DDRQMUFVDDNAMJ-LBPRGKRZSA-N 1 2 336.725 3.983 20 0 EHADLO CCC1(CC)CCC[N@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC001180906051 1133426754 /nfs/dbraw/zinc/42/67/54/1133426754.db2.gz JMZCDPRWMLSPKZ-UHFFFAOYSA-N 1 2 329.531 3.944 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC001180906051 1133426757 /nfs/dbraw/zinc/42/67/57/1133426757.db2.gz JMZCDPRWMLSPKZ-UHFFFAOYSA-N 1 2 329.531 3.944 20 0 EHADLO Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770425945 1133427920 /nfs/dbraw/zinc/42/79/20/1133427920.db2.gz LPWZKNFFHCEBGK-KRWDZBQOSA-N 1 2 337.448 3.573 20 0 EHADLO O=C(Cc1cc2ccccc2o1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181100593 1133450947 /nfs/dbraw/zinc/45/09/47/1133450947.db2.gz MCGNCSKUCKQDFR-UHFFFAOYSA-N 1 2 331.375 3.859 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000770688465 1133455842 /nfs/dbraw/zinc/45/58/42/1133455842.db2.gz JPQIUZKFZZVZSG-AWEZNQCLSA-N 1 2 349.418 3.924 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000770688465 1133455847 /nfs/dbraw/zinc/45/58/47/1133455847.db2.gz JPQIUZKFZZVZSG-AWEZNQCLSA-N 1 2 349.418 3.924 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CCO1 ZINC000770690354 1133461979 /nfs/dbraw/zinc/46/19/79/1133461979.db2.gz VPCIVJGZZUPUMQ-CQSZACIVSA-N 1 2 331.428 3.627 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CCO1 ZINC000770690354 1133461984 /nfs/dbraw/zinc/46/19/84/1133461984.db2.gz VPCIVJGZZUPUMQ-CQSZACIVSA-N 1 2 331.428 3.627 20 0 EHADLO CC(=O)C[C@@H](C)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001181253602 1133470959 /nfs/dbraw/zinc/47/09/59/1133470959.db2.gz CBGAZZGZPUPMPA-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO CC(=O)C[C@@H](C)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001181253602 1133470961 /nfs/dbraw/zinc/47/09/61/1133470961.db2.gz CBGAZZGZPUPMPA-OAHLLOKOSA-N 1 2 336.435 3.756 20 0 EHADLO O=C(CCNc1cc[nH+]c(OCc2ccccn2)c1)c1ccccc1 ZINC001170018743 1133474931 /nfs/dbraw/zinc/47/49/31/1133474931.db2.gz SRGFBZOCOCQSNB-UHFFFAOYSA-N 1 2 333.391 3.741 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921406 1133484003 /nfs/dbraw/zinc/48/40/03/1133484003.db2.gz AQMNKAQWDJHMGX-UHFFFAOYSA-N 1 2 344.798 3.889 20 0 EHADLO O=C(/C=C\c1nc2ccccc2s1)OCc1cccc2[nH+]ccn21 ZINC000770923158 1133484504 /nfs/dbraw/zinc/48/45/04/1133484504.db2.gz YKRCZCSGPZVWOY-HJWRWDBZSA-N 1 2 335.388 3.701 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770922980 1133484977 /nfs/dbraw/zinc/48/49/77/1133484977.db2.gz VDKHSPZSFKMRKB-ZDUSSCGKSA-N 1 2 344.798 3.807 20 0 EHADLO COc1ccccc1C[C@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770923892 1133484999 /nfs/dbraw/zinc/48/49/99/1133484999.db2.gz DFIYJFQXBFSWGI-HNNXBMFYSA-N 1 2 338.407 3.655 20 0 EHADLO C[C@@H](C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1)c1cc2ccccc2o1 ZINC001181567677 1133503544 /nfs/dbraw/zinc/50/35/44/1133503544.db2.gz LIXLUNDKPIUYDT-CQSZACIVSA-N 1 2 337.423 3.741 20 0 EHADLO CC[C@@H]1C[N@H+](CN2c3ccccc3C(=O)C2=O)CC[C@@H]1c1ccccc1 ZINC000746380267 1133514813 /nfs/dbraw/zinc/51/48/13/1133514813.db2.gz CHZQDCXXZUBWLR-AEFFLSMTSA-N 1 2 348.446 3.689 20 0 EHADLO CC[C@@H]1C[N@@H+](CN2c3ccccc3C(=O)C2=O)CC[C@@H]1c1ccccc1 ZINC000746380267 1133514816 /nfs/dbraw/zinc/51/48/16/1133514816.db2.gz CHZQDCXXZUBWLR-AEFFLSMTSA-N 1 2 348.446 3.689 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000771527299 1133571322 /nfs/dbraw/zinc/57/13/22/1133571322.db2.gz YGZYHYNWIMTPGX-QGZVFWFLSA-N 1 2 342.443 3.712 20 0 EHADLO Cc1cccc(O)c1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC001182105934 1133575805 /nfs/dbraw/zinc/57/58/05/1133575805.db2.gz RGXWQGVWGQAPQK-UHFFFAOYSA-N 1 2 345.468 3.785 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2nc(Cl)ccc2Cl)c(C)[nH+]1 ZINC000773989628 1133585263 /nfs/dbraw/zinc/58/52/63/1133585263.db2.gz OUBZLUZLMSMYLN-HXUWFJFHSA-N 1 2 329.252 3.849 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(=O)[nH]cc1C)c1ccccc1Cl ZINC001182217838 1133597236 /nfs/dbraw/zinc/59/72/36/1133597236.db2.gz DEGPWQSOZSPJQJ-QGZVFWFLSA-N 1 2 347.846 3.771 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1ccccc1CO)c1ccccc1Cl ZINC001182221749 1133598969 /nfs/dbraw/zinc/59/89/69/1133598969.db2.gz SDUBSDDVSVWLTM-SFHVURJKSA-N 1 2 346.858 3.854 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1ccno1)c1ccccc1Cl ZINC001182224303 1133599742 /nfs/dbraw/zinc/59/97/42/1133599742.db2.gz ZMQOHNDWFMYHDU-BLLLJJGKSA-N 1 2 335.835 3.588 20 0 EHADLO O=C(Nc1cnoc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246381 1133600854 /nfs/dbraw/zinc/60/08/54/1133600854.db2.gz WPEGXORQVWULCH-INIZCTEOSA-N 1 2 333.819 3.884 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1F ZINC001182282831 1133615522 /nfs/dbraw/zinc/61/55/22/1133615522.db2.gz ATGOZUVOQVHVMC-OALUTQOASA-N 1 2 349.409 3.774 20 0 EHADLO Cc1ccc(OCc2ccc(C(=O)OCCn3cc[nH+]c3)o2)c(C)c1 ZINC000771931825 1133615550 /nfs/dbraw/zinc/61/55/50/1133615550.db2.gz VHQADLZDIPEVAC-UHFFFAOYSA-N 1 2 340.379 3.529 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000771959244 1133620818 /nfs/dbraw/zinc/62/08/18/1133620818.db2.gz SPKXIYZLRIXUPZ-NSHDSACASA-N 1 2 327.211 3.612 20 0 EHADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000771979959 1133622936 /nfs/dbraw/zinc/62/29/36/1133622936.db2.gz SUCSUXXABMTFTI-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCCC3(C)C)CC2)cc1 ZINC000772097699 1133639500 /nfs/dbraw/zinc/63/95/00/1133639500.db2.gz PVIQKUZOLJANEK-LJQANCHMSA-N 1 2 343.515 3.664 20 0 EHADLO COc1ccc(C(C)(C)CC(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001182441134 1133664258 /nfs/dbraw/zinc/66/42/58/1133664258.db2.gz OODMBLIGKSKOCU-UHFFFAOYSA-N 1 2 341.455 3.601 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cncc2ccccc21 ZINC000772296807 1133669662 /nfs/dbraw/zinc/66/96/62/1133669662.db2.gz SJQQLIBUQCRGAD-UHFFFAOYSA-N 1 2 329.359 3.778 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1C(=O)OC(C)(C)C ZINC001182567133 1133700612 /nfs/dbraw/zinc/70/06/12/1133700612.db2.gz TXDFUKIRRYHTBL-DGCLKSJQSA-N 1 2 343.389 3.904 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1C(=O)OC(C)(C)C ZINC001182567133 1133700617 /nfs/dbraw/zinc/70/06/17/1133700617.db2.gz TXDFUKIRRYHTBL-DGCLKSJQSA-N 1 2 343.389 3.904 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182719312 1133717271 /nfs/dbraw/zinc/71/72/71/1133717271.db2.gz MYVFUKMURMAQRB-CQSZACIVSA-N 1 2 348.450 3.511 20 0 EHADLO CC(C)n1cc2c(n1)[C@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCC2 ZINC000785843516 1133753549 /nfs/dbraw/zinc/75/35/49/1133753549.db2.gz JERHAHJFODKIMF-MRXNPFEDSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)n1cc2c(n1)[C@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC000785843516 1133753554 /nfs/dbraw/zinc/75/35/54/1133753554.db2.gz JERHAHJFODKIMF-MRXNPFEDSA-N 1 2 340.475 3.734 20 0 EHADLO COc1ccc([C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)C)cc1 ZINC001182989364 1133754547 /nfs/dbraw/zinc/75/45/47/1133754547.db2.gz NOZVVXKXWXGMLR-SJLPKXTDSA-N 1 2 341.455 3.564 20 0 EHADLO Cc1cc(F)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001183028970 1133759502 /nfs/dbraw/zinc/75/95/02/1133759502.db2.gz GEZYSNUIBLCUAY-ZDUSSCGKSA-N 1 2 341.361 3.950 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001183244829 1133784687 /nfs/dbraw/zinc/78/46/87/1133784687.db2.gz UURFALARTCRLIP-CQSZACIVSA-N 1 2 339.464 3.882 20 0 EHADLO COC1(C)CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000774641125 1133816353 /nfs/dbraw/zinc/81/63/53/1133816353.db2.gz XODLYRSELYUWTD-UHFFFAOYSA-N 1 2 335.498 3.799 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001183718751 1133845764 /nfs/dbraw/zinc/84/57/64/1133845764.db2.gz KKBNVVWMTLEMBL-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000774677800 1133851164 /nfs/dbraw/zinc/85/11/64/1133851164.db2.gz WWTCYSTVRDDWEE-UZLBHIALSA-N 1 2 332.447 3.711 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000774677800 1133851170 /nfs/dbraw/zinc/85/11/70/1133851170.db2.gz WWTCYSTVRDDWEE-UZLBHIALSA-N 1 2 332.447 3.711 20 0 EHADLO CN(C(=O)CCc1ccc(N)[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC001183929230 1133880110 /nfs/dbraw/zinc/88/01/10/1133880110.db2.gz LRHORTGOGJOSPU-UHFFFAOYSA-N 1 2 345.446 3.844 20 0 EHADLO Cc1cccc(C(C)(C)C)c1NC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001184637483 1133970887 /nfs/dbraw/zinc/97/08/87/1133970887.db2.gz IAELAZVKXIDZQP-UHFFFAOYSA-N 1 2 338.455 3.698 20 0 EHADLO Cc1[nH+]cc(NC(=O)Nc2c(C)cc(Br)cc2C)n1C ZINC001184852631 1133992406 /nfs/dbraw/zinc/99/24/06/1133992406.db2.gz OKZSTLIKPWXAOY-UHFFFAOYSA-N 1 2 337.221 3.752 20 0 EHADLO CCc1c[nH]c2nc[nH+]c(Nc3ccc(OC[C@@H]4CCCO4)cc3)c12 ZINC001184892247 1133998646 /nfs/dbraw/zinc/99/86/46/1133998646.db2.gz CCJAWJYRHIDIMZ-INIZCTEOSA-N 1 2 338.411 3.822 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185041990 1134024125 /nfs/dbraw/zinc/02/41/25/1134024125.db2.gz AMPJUKDRESLOBZ-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO OCC[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000774856113 1134064416 /nfs/dbraw/zinc/06/44/16/1134064416.db2.gz PIIFAKKLYBTZOE-LLVKDONJSA-N 1 2 331.284 3.595 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nnc2n1CCCCC2 ZINC000788503548 1134133635 /nfs/dbraw/zinc/13/36/35/1134133635.db2.gz HQCSUMBYIJYQMJ-UHFFFAOYSA-N 1 2 338.459 3.615 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)C1(c2ccc3ncccc3c2)CC1 ZINC001186076095 1134164489 /nfs/dbraw/zinc/16/44/89/1134164489.db2.gz JAGMHVKAEBVCMU-UHFFFAOYSA-N 1 2 328.375 3.553 20 0 EHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(C)[nH+]c(CC)n1 ZINC001186080249 1134165089 /nfs/dbraw/zinc/16/50/89/1134165089.db2.gz ZZKCWGVGJPRUSE-HNNXBMFYSA-N 1 2 348.491 3.573 20 0 EHADLO CCc1ccc([C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)CCO2)cc1 ZINC001186113913 1134171727 /nfs/dbraw/zinc/17/17/27/1134171727.db2.gz YNABQXXESIRCCH-HXUWFJFHSA-N 1 2 337.467 3.804 20 0 EHADLO Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC001186131570 1134172988 /nfs/dbraw/zinc/17/29/88/1134172988.db2.gz MAAWHNAKEFBUMF-XJKSGUPXSA-N 1 2 343.393 3.948 20 0 EHADLO O=C(NCC1CCCCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788891207 1134187814 /nfs/dbraw/zinc/18/78/14/1134187814.db2.gz PHOVTTXHVOXHLV-GOSISDBHSA-N 1 2 331.460 3.605 20 0 EHADLO CCc1cnc(C[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000788973241 1134198138 /nfs/dbraw/zinc/19/81/38/1134198138.db2.gz PQECWULWGRGFML-MRXNPFEDSA-N 1 2 343.496 3.526 20 0 EHADLO C[C@@H](NC(=O)NCC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC001186355285 1134200542 /nfs/dbraw/zinc/20/05/42/1134200542.db2.gz ULKVDMKPQHNZSJ-MRXNPFEDSA-N 1 2 344.503 3.566 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC001186334526 1134203885 /nfs/dbraw/zinc/20/38/85/1134203885.db2.gz NOKFRFVPQUDPES-MRXNPFEDSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C(=O)O1 ZINC000789485059 1134281948 /nfs/dbraw/zinc/28/19/48/1134281948.db2.gz YLNNRPIKOAJDEP-TYNCELHUSA-N 1 2 349.302 3.717 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C(=O)O1 ZINC000789485059 1134281955 /nfs/dbraw/zinc/28/19/55/1134281955.db2.gz YLNNRPIKOAJDEP-TYNCELHUSA-N 1 2 349.302 3.717 20 0 EHADLO C[C@H](O[NH+]=C(N)Cc1cccc(F)c1)c1noc(-c2ccccc2)n1 ZINC000789608880 1134305663 /nfs/dbraw/zinc/30/56/63/1134305663.db2.gz FSBLXUDFSPUYPF-LBPRGKRZSA-N 1 2 340.358 3.678 20 0 EHADLO CCSCc1ccccc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000789919164 1134344234 /nfs/dbraw/zinc/34/42/34/1134344234.db2.gz KKARXQTYYWNZHR-UHFFFAOYSA-N 1 2 344.480 3.890 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001188131888 1134431465 /nfs/dbraw/zinc/43/14/65/1134431465.db2.gz DKERVCKOJVOSOQ-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)CCS2 ZINC000790750152 1134462408 /nfs/dbraw/zinc/46/24/08/1134462408.db2.gz NYCHDHLYTQQTAN-SWLSCSKDSA-N 1 2 329.473 3.513 20 0 EHADLO Clc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cn1 ZINC000775170274 1134474082 /nfs/dbraw/zinc/47/40/82/1134474082.db2.gz ARYMHWPPVQMFMO-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO Clc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cn1 ZINC000775170274 1134474085 /nfs/dbraw/zinc/47/40/85/1134474085.db2.gz ARYMHWPPVQMFMO-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO COc1ccc(F)cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791288974 1134530051 /nfs/dbraw/zinc/53/00/51/1134530051.db2.gz XFJMQSWTHZGRHH-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccnc1F ZINC000791328800 1134532316 /nfs/dbraw/zinc/53/23/16/1134532316.db2.gz XAVGSFRDHRJUSR-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CCCc1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791400669 1134544860 /nfs/dbraw/zinc/54/48/60/1134544860.db2.gz VPMLCNDGILZUGI-UHFFFAOYSA-N 1 2 341.436 3.947 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000791403032 1134545570 /nfs/dbraw/zinc/54/55/70/1134545570.db2.gz FHGLXPIDXVPQBF-CRAIPNDOSA-N 1 2 328.412 3.572 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1cccc(F)c1F ZINC000791408195 1134546838 /nfs/dbraw/zinc/54/68/38/1134546838.db2.gz ZKJWFZICYLMOGC-UHFFFAOYSA-N 1 2 342.345 3.745 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(-c2cn[nH]c2)c1 ZINC001189241078 1134555554 /nfs/dbraw/zinc/55/55/54/1134555554.db2.gz CWWXPXDSDNWENS-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076989116 1134619285 /nfs/dbraw/zinc/61/92/85/1134619285.db2.gz LSSLJYZQAQLFGI-HNNXBMFYSA-N 1 2 349.409 3.920 20 0 EHADLO CSc1ccccc1CN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000791845743 1134619427 /nfs/dbraw/zinc/61/94/27/1134619427.db2.gz QEDAAXVFXHHHJP-UHFFFAOYSA-N 1 2 344.484 3.842 20 0 EHADLO CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190100247 1134656181 /nfs/dbraw/zinc/65/61/81/1134656181.db2.gz QMAVWSOERGKAQI-UHFFFAOYSA-N 1 2 337.398 3.763 20 0 EHADLO O=C(Nc1nc(C(F)(F)F)cs1)c1ccccc1-n1cc[nH+]c1 ZINC001190075064 1134658255 /nfs/dbraw/zinc/65/82/55/1134658255.db2.gz NIRRUFGWONTMMN-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792121674 1134659640 /nfs/dbraw/zinc/65/96/40/1134659640.db2.gz TYWULRUEPFWHAC-UHFFFAOYSA-N 1 2 346.814 3.660 20 0 EHADLO Fc1cccnc1N1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC000792181230 1134664078 /nfs/dbraw/zinc/66/40/78/1134664078.db2.gz YMCZMHHCAMCWQO-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO Fc1cccnc1N1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC000792181230 1134664082 /nfs/dbraw/zinc/66/40/82/1134664082.db2.gz YMCZMHHCAMCWQO-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000792269557 1134675259 /nfs/dbraw/zinc/67/52/59/1134675259.db2.gz STJCEBQLORWVHE-HNNXBMFYSA-N 1 2 336.863 3.944 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000792269557 1134675263 /nfs/dbraw/zinc/67/52/63/1134675263.db2.gz STJCEBQLORWVHE-HNNXBMFYSA-N 1 2 336.863 3.944 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000121379469 1134678118 /nfs/dbraw/zinc/67/81/18/1134678118.db2.gz KALSNTJZEWZEOB-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000121379469 1134678121 /nfs/dbraw/zinc/67/81/21/1134678121.db2.gz KALSNTJZEWZEOB-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360209 1134681497 /nfs/dbraw/zinc/68/14/97/1134681497.db2.gz DWFCJEAXMXMDGR-YJBOKZPZSA-N 1 2 348.487 3.536 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360209 1134681500 /nfs/dbraw/zinc/68/15/00/1134681500.db2.gz DWFCJEAXMXMDGR-YJBOKZPZSA-N 1 2 348.487 3.536 20 0 EHADLO c1coc(COCc2cccc(C[NH2+][C@@H]3CCCc4[nH]ncc43)c2)c1 ZINC000796695608 1134683721 /nfs/dbraw/zinc/68/37/21/1134683721.db2.gz PVJDLQLGYOQCSK-LJQANCHMSA-N 1 2 337.423 3.887 20 0 EHADLO COc1ccc(C(C)C)cc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC001170173043 1134704825 /nfs/dbraw/zinc/70/48/25/1134704825.db2.gz OUVMEVWLYNSDCS-UHFFFAOYSA-N 1 2 327.424 3.919 20 0 EHADLO COc1ccc(C(C)C)cc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC001170173043 1134704830 /nfs/dbraw/zinc/70/48/30/1134704830.db2.gz OUVMEVWLYNSDCS-UHFFFAOYSA-N 1 2 327.424 3.919 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccccc1Cl)[C@H]2C ZINC001170274375 1134729795 /nfs/dbraw/zinc/72/97/95/1134729795.db2.gz QQVKSHXJZQBGAC-KGLIPLIRSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1Cl)[C@H]2C ZINC001170274375 1134729798 /nfs/dbraw/zinc/72/97/98/1134729798.db2.gz QQVKSHXJZQBGAC-KGLIPLIRSA-N 1 2 333.863 3.691 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2ccccc2Cl)Cc2ccccc2C1 ZINC001170247665 1134731828 /nfs/dbraw/zinc/73/18/28/1134731828.db2.gz JZKWILCUFRTMAQ-AWEZNQCLSA-N 1 2 343.854 3.571 20 0 EHADLO O=C(Nc1nc2c(cccc2Cl)s1)c1cccc2[nH+]ccn21 ZINC000792712330 1134777153 /nfs/dbraw/zinc/77/71/53/1134777153.db2.gz FKSRQGOOUHJXSI-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000792707996 1134783474 /nfs/dbraw/zinc/78/34/74/1134783474.db2.gz QRUGBRLRTCNZCL-BEFAXECRSA-N 1 2 326.415 3.743 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000792707996 1134783483 /nfs/dbraw/zinc/78/34/83/1134783483.db2.gz QRUGBRLRTCNZCL-BEFAXECRSA-N 1 2 326.415 3.743 20 0 EHADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001191068183 1134786933 /nfs/dbraw/zinc/78/69/33/1134786933.db2.gz BNJXKMGVZJVNKN-HXUWFJFHSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001191068183 1134786940 /nfs/dbraw/zinc/78/69/40/1134786940.db2.gz BNJXKMGVZJVNKN-HXUWFJFHSA-N 1 2 340.467 3.908 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001191070934 1134787891 /nfs/dbraw/zinc/78/78/91/1134787891.db2.gz QNNCFUVCEYVZPC-KXBFYZLASA-N 1 2 345.389 3.744 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001191070934 1134787894 /nfs/dbraw/zinc/78/78/94/1134787894.db2.gz QNNCFUVCEYVZPC-KXBFYZLASA-N 1 2 345.389 3.744 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001191243519 1134835632 /nfs/dbraw/zinc/83/56/32/1134835632.db2.gz DDNVPWLZTPOJAQ-DOMZBBRYSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001191243519 1134835637 /nfs/dbraw/zinc/83/56/37/1134835637.db2.gz DDNVPWLZTPOJAQ-DOMZBBRYSA-N 1 2 346.368 3.619 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](F)CC1CCCCC1 ZINC000793186568 1134871220 /nfs/dbraw/zinc/87/12/20/1134871220.db2.gz VFDDSHGRBDBVGY-QGZVFWFLSA-N 1 2 347.409 3.936 20 0 EHADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)c1c(Cl)cccc1Cl ZINC000793252941 1134888863 /nfs/dbraw/zinc/88/88/63/1134888863.db2.gz MEVYDZCLBKUUNX-JTQLQIEISA-N 1 2 327.211 3.616 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1sc2cc(F)ccc2c1Cl ZINC000793252137 1134889074 /nfs/dbraw/zinc/88/90/74/1134889074.db2.gz LQAOWVCFIWQGQE-UHFFFAOYSA-N 1 2 338.791 3.827 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1occc1CSc1ccccc1 ZINC000793249891 1134889192 /nfs/dbraw/zinc/88/91/92/1134889192.db2.gz JYTVMXUSHZCPCB-UHFFFAOYSA-N 1 2 342.420 3.705 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C2SCCCS2)cc1 ZINC000793253450 1134890238 /nfs/dbraw/zinc/89/02/38/1134890238.db2.gz QWLHPDYEHGXOPL-UHFFFAOYSA-N 1 2 348.493 3.688 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000793253139 1134890792 /nfs/dbraw/zinc/89/07/92/1134890792.db2.gz YEKHWUIXSXXIJC-ZIAGYGMSSA-N 1 2 339.222 3.616 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000793533836 1134950274 /nfs/dbraw/zinc/95/02/74/1134950274.db2.gz UCLVRVDHCWJTQB-XFFZJAGNSA-N 1 2 336.222 3.636 20 0 EHADLO CN(CCO)c1ccc([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC000793543425 1134952635 /nfs/dbraw/zinc/95/26/35/1134952635.db2.gz LTHHNHYPPRFUJG-WOJBJXKFSA-N 1 2 340.467 3.773 20 0 EHADLO Oc1ccc(Cl)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001192253538 1134985727 /nfs/dbraw/zinc/98/57/27/1134985727.db2.gz UVKJMFGGSWYSMX-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO Oc1ccc(Cl)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001192253538 1134985734 /nfs/dbraw/zinc/98/57/34/1134985734.db2.gz UVKJMFGGSWYSMX-LJQANCHMSA-N 1 2 329.827 3.720 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C(=O)OCc1ccccc1 ZINC001192556776 1135029360 /nfs/dbraw/zinc/02/93/60/1135029360.db2.gz GVYPZHYLWPRIST-IPMKNSEASA-N 1 2 345.483 3.692 20 0 EHADLO COC(=O)C[N@H+](CCSCc1ccccc1)CCc1ccccc1 ZINC001192718845 1135051531 /nfs/dbraw/zinc/05/15/31/1135051531.db2.gz HFVZLUFVEHZUPP-UHFFFAOYSA-N 1 2 343.492 3.638 20 0 EHADLO COC(=O)C[N@@H+](CCSCc1ccccc1)CCc1ccccc1 ZINC001192718845 1135051536 /nfs/dbraw/zinc/05/15/36/1135051536.db2.gz HFVZLUFVEHZUPP-UHFFFAOYSA-N 1 2 343.492 3.638 20 0 EHADLO CCc1ccc(OC)c(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)c1 ZINC001192766111 1135051859 /nfs/dbraw/zinc/05/18/59/1135051859.db2.gz UFGGNGFVJZXWKE-UHFFFAOYSA-N 1 2 348.468 3.751 20 0 EHADLO OC[C@H](C[C@H](O)c1ccccc1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000804573471 1135125025 /nfs/dbraw/zinc/12/50/25/1135125025.db2.gz FGWDGNKHLUFGGV-KSSFIOAISA-N 1 2 342.826 3.785 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001193589560 1135156202 /nfs/dbraw/zinc/15/62/02/1135156202.db2.gz ROYITACLJISJAP-UHFFFAOYSA-N 1 2 348.399 3.962 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2csc(-c3cccs3)n2)c[nH+]1 ZINC001129842300 1135169290 /nfs/dbraw/zinc/16/92/90/1135169290.db2.gz WRFPDEKRGITUOF-UHFFFAOYSA-N 1 2 329.450 3.813 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC001193674953 1135169842 /nfs/dbraw/zinc/16/98/42/1135169842.db2.gz NAWMMADNIXSRIC-ZDUSSCGKSA-N 1 2 342.252 3.979 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC001193674953 1135169849 /nfs/dbraw/zinc/16/98/49/1135169849.db2.gz NAWMMADNIXSRIC-ZDUSSCGKSA-N 1 2 342.252 3.979 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(CC(F)(F)F)CC1 ZINC000804716856 1135178164 /nfs/dbraw/zinc/17/81/64/1135178164.db2.gz YFWCRZLIURYCSU-UHFFFAOYSA-N 1 2 341.381 3.750 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC2 ZINC001193773945 1135178197 /nfs/dbraw/zinc/17/81/97/1135178197.db2.gz UMKKDTPTDOGZCO-IFXJQAMLSA-N 1 2 332.463 3.529 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC2 ZINC001193773945 1135178200 /nfs/dbraw/zinc/17/82/00/1135178200.db2.gz UMKKDTPTDOGZCO-IFXJQAMLSA-N 1 2 332.463 3.529 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001194057025 1135223401 /nfs/dbraw/zinc/22/34/01/1135223401.db2.gz SUTIOJBPQXXRGR-CQSZACIVSA-N 1 2 344.789 3.644 20 0 EHADLO CC(C)COC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001194232840 1135240508 /nfs/dbraw/zinc/24/05/08/1135240508.db2.gz YFGTUMJLXIIYON-GOSISDBHSA-N 1 2 325.399 3.748 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001194599123 1135290301 /nfs/dbraw/zinc/29/03/01/1135290301.db2.gz KDLDBRSARYATBS-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001194599123 1135290305 /nfs/dbraw/zinc/29/03/05/1135290305.db2.gz KDLDBRSARYATBS-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(-c2ccccc2)ns1 ZINC000747258990 1135307466 /nfs/dbraw/zinc/30/74/66/1135307466.db2.gz PVOWDRDTALJGMR-UHFFFAOYSA-N 1 2 335.388 3.815 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000805826814 1135336987 /nfs/dbraw/zinc/33/69/87/1135336987.db2.gz KNIUTAWUWWLTRZ-SFHVURJKSA-N 1 2 349.450 3.634 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000805826814 1135336991 /nfs/dbraw/zinc/33/69/91/1135336991.db2.gz KNIUTAWUWWLTRZ-SFHVURJKSA-N 1 2 349.450 3.634 20 0 EHADLO CC(C)CCOC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001194902450 1135338071 /nfs/dbraw/zinc/33/80/71/1135338071.db2.gz PIJOUIBWGPCQKR-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC001194918038 1135339802 /nfs/dbraw/zinc/33/98/02/1135339802.db2.gz SDEFFDRZBNCWLY-ZWKOTPCHSA-N 1 2 335.382 3.512 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2sccc2Cl)c1 ZINC001194927944 1135341848 /nfs/dbraw/zinc/34/18/48/1135341848.db2.gz ZHDGZHGAEXZBTE-UHFFFAOYSA-N 1 2 331.828 3.732 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1sccc1C(F)(F)F ZINC001195224247 1135397193 /nfs/dbraw/zinc/39/71/93/1135397193.db2.gz PBLKNIMCUTWWED-UHFFFAOYSA-N 1 2 329.347 3.618 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1cn(-c2ccccc2)nn1 ZINC000806147497 1135400916 /nfs/dbraw/zinc/40/09/16/1135400916.db2.gz JXBCBENHLDFPRI-WFASDCNBSA-N 1 2 339.830 3.654 20 0 EHADLO CC[N@H+](CCOc1ccccc1C)Cc1nc(CCC(C)C)no1 ZINC001195324770 1135406291 /nfs/dbraw/zinc/40/62/91/1135406291.db2.gz RSYZDQGMNSQCOD-UHFFFAOYSA-N 1 2 331.460 3.868 20 0 EHADLO CC[N@@H+](CCOc1ccccc1C)Cc1nc(CCC(C)C)no1 ZINC001195324770 1135406294 /nfs/dbraw/zinc/40/62/94/1135406294.db2.gz RSYZDQGMNSQCOD-UHFFFAOYSA-N 1 2 331.460 3.868 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001203806993 1135421763 /nfs/dbraw/zinc/42/17/63/1135421763.db2.gz VLSSROVMDXMNOY-CYBMUJFWSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001203806993 1135421764 /nfs/dbraw/zinc/42/17/64/1135421764.db2.gz VLSSROVMDXMNOY-CYBMUJFWSA-N 1 2 338.238 3.827 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccc(F)cc1F ZINC000775651942 1135422481 /nfs/dbraw/zinc/42/24/81/1135422481.db2.gz CITLCLPZFPGAGX-LJQANCHMSA-N 1 2 342.393 3.846 20 0 EHADLO Fc1ccc(F)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1F ZINC001137934519 1135441088 /nfs/dbraw/zinc/44/10/88/1135441088.db2.gz AKHOVMAHMIPSCO-OAHLLOKOSA-N 1 2 348.359 3.799 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(F)c2Cl)c1C ZINC000806772841 1135488500 /nfs/dbraw/zinc/48/85/00/1135488500.db2.gz YTWGXOAXHBJZRT-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO CN1CC[N@@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCC1=O ZINC001196014340 1135505532 /nfs/dbraw/zinc/50/55/32/1135505532.db2.gz SUIWXOVBURGDHJ-LJQANCHMSA-N 1 2 346.833 3.733 20 0 EHADLO CN1CC[N@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCC1=O ZINC001196014340 1135505538 /nfs/dbraw/zinc/50/55/38/1135505538.db2.gz SUIWXOVBURGDHJ-LJQANCHMSA-N 1 2 346.833 3.733 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)nc1 ZINC000794425983 1135527687 /nfs/dbraw/zinc/52/76/87/1135527687.db2.gz BWJPPCITEZLLIB-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO C[C@H](CNC(=O)c1ccc2c(c1)-c1ccccc1C2)Cn1cc[nH+]c1 ZINC000747400156 1135546322 /nfs/dbraw/zinc/54/63/22/1135546322.db2.gz HDUWOFJEKCXQKV-OAHLLOKOSA-N 1 2 331.419 3.520 20 0 EHADLO CC/C(=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(OC)cc1 ZINC000747404088 1135551979 /nfs/dbraw/zinc/55/19/79/1135551979.db2.gz ZWPUUOBLDXUMIV-BBLCHGJFSA-N 1 2 339.439 3.549 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H]3CC=CCC3)n2)C1 ZINC000867188651 1135588234 /nfs/dbraw/zinc/58/82/34/1135588234.db2.gz YRJAQPHMAMPJSE-AEFFLSMTSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H]3CC=CCC3)n2)C1 ZINC000867188651 1135588237 /nfs/dbraw/zinc/58/82/37/1135588237.db2.gz YRJAQPHMAMPJSE-AEFFLSMTSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732427 1135591399 /nfs/dbraw/zinc/59/13/99/1135591399.db2.gz WVPLCHJWXVXOMA-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732427 1135591403 /nfs/dbraw/zinc/59/14/03/1135591403.db2.gz WVPLCHJWXVXOMA-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC001196666683 1135595130 /nfs/dbraw/zinc/59/51/30/1135595130.db2.gz IAMJVVHBZWKGNI-CQSZACIVSA-N 1 2 338.442 3.827 20 0 EHADLO OC1(Cc2ccc(F)cc2)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000775741118 1135606624 /nfs/dbraw/zinc/60/66/24/1135606624.db2.gz HZYWOVAUTFJTLX-UHFFFAOYSA-N 1 2 340.851 3.505 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001196771875 1135613439 /nfs/dbraw/zinc/61/34/39/1135613439.db2.gz HQQXFSROVRQGJI-SMDDNHRTSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001196771875 1135613442 /nfs/dbraw/zinc/61/34/42/1135613442.db2.gz HQQXFSROVRQGJI-SMDDNHRTSA-N 1 2 342.842 3.967 20 0 EHADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1Oc1ccccc1 ZINC001196848746 1135618177 /nfs/dbraw/zinc/61/81/77/1135618177.db2.gz BZPMZEUXPJHNCA-IAGOWNOFSA-N 1 2 338.234 3.618 20 0 EHADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1Oc1ccccc1 ZINC001196848746 1135618181 /nfs/dbraw/zinc/61/81/81/1135618181.db2.gz BZPMZEUXPJHNCA-IAGOWNOFSA-N 1 2 338.234 3.618 20 0 EHADLO CC(C)Oc1c(F)ccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1F ZINC001196885061 1135621783 /nfs/dbraw/zinc/62/17/83/1135621783.db2.gz KUHIDJPWLFDZFP-UHFFFAOYSA-N 1 2 331.322 3.652 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(=O)c2ccccc12 ZINC000747467271 1135631075 /nfs/dbraw/zinc/63/10/75/1135631075.db2.gz IUCQJJFDZQDLIY-MJGOQNOKSA-N 1 2 347.462 3.616 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(=O)c2ccccc12 ZINC000747467271 1135631077 /nfs/dbraw/zinc/63/10/77/1135631077.db2.gz IUCQJJFDZQDLIY-MJGOQNOKSA-N 1 2 347.462 3.616 20 0 EHADLO O=[S@@](CC[N@H+]1CCC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078361 1135647931 /nfs/dbraw/zinc/64/79/31/1135647931.db2.gz WIWMSMNFFMBREN-CVDCTZTESA-N 1 2 331.456 3.755 20 0 EHADLO O=[S@@](CC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1)c1ccccc1 ZINC001197078361 1135647934 /nfs/dbraw/zinc/64/79/34/1135647934.db2.gz WIWMSMNFFMBREN-CVDCTZTESA-N 1 2 331.456 3.755 20 0 EHADLO CO[C@H](C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177893 1135657263 /nfs/dbraw/zinc/65/72/63/1135657263.db2.gz XZMVSVCRGZSHLE-IAGOWNOFSA-N 1 2 337.435 3.709 20 0 EHADLO CO[C@H](C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001197177893 1135657264 /nfs/dbraw/zinc/65/72/64/1135657264.db2.gz XZMVSVCRGZSHLE-IAGOWNOFSA-N 1 2 337.435 3.709 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cnnn2-c2ccccc2)c1C ZINC000808362026 1135658978 /nfs/dbraw/zinc/65/89/78/1135658978.db2.gz AKFBYXOZLUNMFJ-UHFFFAOYSA-N 1 2 340.452 3.721 20 0 EHADLO Cc1nc(CN[C@H](Cn2cc[nH+]c2)c2ccccc2)nc2ccccc12 ZINC001197265510 1135668055 /nfs/dbraw/zinc/66/80/55/1135668055.db2.gz SZKBGDLSJXELEG-HXUWFJFHSA-N 1 2 343.434 3.666 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@@H]1CCCC1(C)C ZINC001131319946 1135678251 /nfs/dbraw/zinc/67/82/51/1135678251.db2.gz BSTJNLQMIDYXIE-ZDUSSCGKSA-N 1 2 349.425 3.956 20 0 EHADLO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1O ZINC000775772630 1135690112 /nfs/dbraw/zinc/69/01/12/1135690112.db2.gz VDAONECFNQICIX-UHFFFAOYSA-N 1 2 336.863 3.573 20 0 EHADLO COc1ccc2cc(C=CC(=O)Nc3cc(C)[nH+]cc3C)ccc2c1 ZINC000747525864 1135732128 /nfs/dbraw/zinc/73/21/28/1135732128.db2.gz LYFWIQCRRUNTLO-UITAMQMPSA-N 1 2 332.403 3.934 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529798 1135741269 /nfs/dbraw/zinc/74/12/69/1135741269.db2.gz BEZWQOHJMKIWBN-SCLBCKFNSA-N 1 2 340.423 3.712 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529798 1135741271 /nfs/dbraw/zinc/74/12/71/1135741271.db2.gz BEZWQOHJMKIWBN-SCLBCKFNSA-N 1 2 340.423 3.712 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197891117 1135747321 /nfs/dbraw/zinc/74/73/21/1135747321.db2.gz IKTNFBVDMANTMV-GFCCVEGCSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197891117 1135747323 /nfs/dbraw/zinc/74/73/23/1135747323.db2.gz IKTNFBVDMANTMV-GFCCVEGCSA-N 1 2 342.252 3.904 20 0 EHADLO Cc1ccc(NC(=S)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001197923791 1135750687 /nfs/dbraw/zinc/75/06/87/1135750687.db2.gz ZBBRJNDKYSJCTM-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO CCCOc1nc2ccccc2cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131515729 1135761139 /nfs/dbraw/zinc/76/11/39/1135761139.db2.gz AFKASONVMBQTKI-UHFFFAOYSA-N 1 2 346.390 3.924 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1ccc(Cl)c(Cl)c1Cl ZINC001198086969 1135770945 /nfs/dbraw/zinc/77/09/45/1135770945.db2.gz ZIYFOKKRTOOTFM-UHFFFAOYSA-N 1 2 349.674 3.867 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001170579790 1135839627 /nfs/dbraw/zinc/83/96/27/1135839627.db2.gz XIRCKDNPNKTCSZ-CVEARBPZSA-N 1 2 329.481 3.600 20 0 EHADLO Cc1cc2cc[nH]c2c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001198697052 1135844384 /nfs/dbraw/zinc/84/43/84/1135844384.db2.gz RTBNTDCNRDXLSQ-UHFFFAOYSA-N 1 2 330.391 3.973 20 0 EHADLO CCc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1nc(C)c(C)s1)C2 ZINC001198819072 1135859318 /nfs/dbraw/zinc/85/93/18/1135859318.db2.gz CKBDBLPQAOLSHI-CYBMUJFWSA-N 1 2 343.496 3.708 20 0 EHADLO CCc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1nc(C)c(C)s1)C2 ZINC001198819072 1135859321 /nfs/dbraw/zinc/85/93/21/1135859321.db2.gz CKBDBLPQAOLSHI-CYBMUJFWSA-N 1 2 343.496 3.708 20 0 EHADLO CCc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1nc(C)c(C)s1)C2 ZINC001198819073 1135859424 /nfs/dbraw/zinc/85/94/24/1135859424.db2.gz CKBDBLPQAOLSHI-ZDUSSCGKSA-N 1 2 343.496 3.708 20 0 EHADLO CCc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1nc(C)c(C)s1)C2 ZINC001198819073 1135859428 /nfs/dbraw/zinc/85/94/28/1135859428.db2.gz CKBDBLPQAOLSHI-ZDUSSCGKSA-N 1 2 343.496 3.708 20 0 EHADLO Cc1cscc1C[NH2+]Cc1nc2ccccn2c1Br ZINC000809655744 1135866417 /nfs/dbraw/zinc/86/64/17/1135866417.db2.gz PJPDGIVOBSNCSV-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000809691051 1135867208 /nfs/dbraw/zinc/86/72/08/1135867208.db2.gz HHWQVHOFPSZVSA-ZDUSSCGKSA-N 1 2 339.505 3.541 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000809691051 1135867210 /nfs/dbraw/zinc/86/72/10/1135867210.db2.gz HHWQVHOFPSZVSA-ZDUSSCGKSA-N 1 2 339.505 3.541 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)Cc1ccc(O)cc1 ZINC000809753376 1135885614 /nfs/dbraw/zinc/88/56/14/1135885614.db2.gz GVMUWKQJNUXNCX-UHFFFAOYSA-N 1 2 336.222 3.979 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)Cc1ccc(O)cc1 ZINC000809753376 1135885617 /nfs/dbraw/zinc/88/56/17/1135885617.db2.gz GVMUWKQJNUXNCX-UHFFFAOYSA-N 1 2 336.222 3.979 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnc(Cl)c(Cl)c1Cl ZINC001199332994 1135898690 /nfs/dbraw/zinc/89/86/90/1135898690.db2.gz RLKMIKLAZWNVJH-UHFFFAOYSA-N 1 2 341.585 3.942 20 0 EHADLO CC(C)c1ccc(C(=O)N(C(N)=[NH2+])c2ccccc2F)c(Cl)n1 ZINC001199702371 1135920555 /nfs/dbraw/zinc/92/05/55/1135920555.db2.gz ANYKREJWPKVKME-UHFFFAOYSA-N 1 2 334.782 3.538 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810128898 1135924470 /nfs/dbraw/zinc/92/44/70/1135924470.db2.gz BDJLACBNXSXNII-KBPBESRZSA-N 1 2 342.443 3.561 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131399 1135925788 /nfs/dbraw/zinc/92/57/88/1135925788.db2.gz LPFHHNFPJMRCDM-QGZVFWFLSA-N 1 2 346.862 3.545 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131399 1135925790 /nfs/dbraw/zinc/92/57/90/1135925790.db2.gz LPFHHNFPJMRCDM-QGZVFWFLSA-N 1 2 346.862 3.545 20 0 EHADLO CCn1ccnc1C[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC001199866290 1135935669 /nfs/dbraw/zinc/93/56/69/1135935669.db2.gz XRELEXZNYCSXAW-UHFFFAOYSA-N 1 2 340.471 3.712 20 0 EHADLO O=C(OCCCOc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776083328 1135950461 /nfs/dbraw/zinc/95/04/61/1135950461.db2.gz UDZHDDOVXIXIRD-UHFFFAOYSA-N 1 2 340.354 3.637 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CCc2c1cccc2Cl ZINC000776097360 1135956102 /nfs/dbraw/zinc/95/61/02/1135956102.db2.gz MOZLCMPZDDFFPY-OAHLLOKOSA-N 1 2 326.783 3.761 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000794435441 1135956861 /nfs/dbraw/zinc/95/68/61/1135956861.db2.gz NIBWXJMCYSFCFV-OAHLLOKOSA-N 1 2 340.858 3.963 20 0 EHADLO Fc1ccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001200928345 1135966691 /nfs/dbraw/zinc/96/66/91/1135966691.db2.gz SKRNEJZDYFRBKJ-AWEZNQCLSA-N 1 2 349.406 3.600 20 0 EHADLO Cc1ccc(N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)[nH+]c1 ZINC001170608778 1135970911 /nfs/dbraw/zinc/97/09/11/1135970911.db2.gz DLTAMDFFWXMNRY-HXUWFJFHSA-N 1 2 342.402 3.618 20 0 EHADLO Cc1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC001201041954 1135981065 /nfs/dbraw/zinc/98/10/65/1135981065.db2.gz NUBKAUCIORJDNF-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2ccon2)c1)c1ccc(Cl)cc1 ZINC000747622169 1135989248 /nfs/dbraw/zinc/98/92/48/1135989248.db2.gz LWHWJSJRFSDUJN-UHFFFAOYSA-N 1 2 341.798 3.870 20 0 EHADLO C[C@H](C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1cccc(Cl)c1 ZINC001132404599 1135994167 /nfs/dbraw/zinc/99/41/67/1135994167.db2.gz KCBGHGSQEZECJT-UGSOOPFHSA-N 1 2 328.843 3.746 20 0 EHADLO C[C@H](C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1cccc(Cl)c1 ZINC001132404599 1135994170 /nfs/dbraw/zinc/99/41/70/1135994170.db2.gz KCBGHGSQEZECJT-UGSOOPFHSA-N 1 2 328.843 3.746 20 0 EHADLO CC(C)(C)OC(=O)n1ncc2cc(Nc3ccc(N)[nH+]c3)ccc21 ZINC001201283794 1136000417 /nfs/dbraw/zinc/00/04/17/1136000417.db2.gz GHGDWEIPQDTFPN-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO Nc1ccc(Nc2c(Cl)cc(Br)nc2Cl)c[nH+]1 ZINC001201275753 1136003051 /nfs/dbraw/zinc/00/30/51/1136003051.db2.gz LHFYGLNNTDFPKP-UHFFFAOYSA-N 1 2 334.004 3.872 20 0 EHADLO CC(=O)N1CCC(n2nccc2Nc2ccc([NH2+]C(C)C)cc2)CC1 ZINC001201491717 1136027933 /nfs/dbraw/zinc/02/79/33/1136027933.db2.gz SGXBPNMNTREGLC-UHFFFAOYSA-N 1 2 341.459 3.630 20 0 EHADLO c1ccc2c(c1)cccc2CNc1cccc(CN2CCOCC2)[nH+]1 ZINC001201803204 1136064289 /nfs/dbraw/zinc/06/42/89/1136064289.db2.gz MWPOAHRYYAJBEN-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO CC(C)Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001201870318 1136071330 /nfs/dbraw/zinc/07/13/30/1136071330.db2.gz YDNRZDOYJYJMLS-LJQANCHMSA-N 1 2 339.439 3.965 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](CC2CC2)[C@H](c2ccccc2F)C1 ZINC001201932704 1136073106 /nfs/dbraw/zinc/07/31/06/1136073106.db2.gz HKJIELMQVHHDFY-KRWDZBQOSA-N 1 2 334.435 3.830 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC2)[C@H](c2ccccc2F)C1 ZINC001201932704 1136073109 /nfs/dbraw/zinc/07/31/09/1136073109.db2.gz HKJIELMQVHHDFY-KRWDZBQOSA-N 1 2 334.435 3.830 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(Cl)c1)Nc1ccccc1 ZINC001201961312 1136078885 /nfs/dbraw/zinc/07/88/85/1136078885.db2.gz DZHJAKIFEYLCKC-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(F)cc1F ZINC001202020238 1136082254 /nfs/dbraw/zinc/08/22/54/1136082254.db2.gz NJDBKZMFSMLCQS-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO C[N@@H+](Cc1ccnc(Cl)c1Cl)C[C@@H]1COc2ccccc2O1 ZINC000811453792 1136089197 /nfs/dbraw/zinc/08/91/97/1136089197.db2.gz QZOHSEPKSBUNSI-GFCCVEGCSA-N 1 2 339.222 3.660 20 0 EHADLO C[N@H+](Cc1ccnc(Cl)c1Cl)C[C@@H]1COc2ccccc2O1 ZINC000811453792 1136089199 /nfs/dbraw/zinc/08/91/99/1136089199.db2.gz QZOHSEPKSBUNSI-GFCCVEGCSA-N 1 2 339.222 3.660 20 0 EHADLO Cc1nc(NC(=O)c2cccc3[nH+]ccn32)ccc1-c1ccccc1 ZINC000811607724 1136112477 /nfs/dbraw/zinc/11/24/77/1136112477.db2.gz SGGKWMNXDCQINB-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1ccc(Cl)c(Cl)c1 ZINC001202265553 1136116031 /nfs/dbraw/zinc/11/60/31/1136116031.db2.gz BUXFLQNWFLEBKL-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)s1 ZINC000811743117 1136128655 /nfs/dbraw/zinc/12/86/55/1136128655.db2.gz MYCJPGPZQAHLKO-QGZVFWFLSA-N 1 2 328.481 3.537 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)s1 ZINC000811743117 1136128658 /nfs/dbraw/zinc/12/86/58/1136128658.db2.gz MYCJPGPZQAHLKO-QGZVFWFLSA-N 1 2 328.481 3.537 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)c(=O)cc2C)cc1 ZINC000811732350 1136132303 /nfs/dbraw/zinc/13/23/03/1136132303.db2.gz QFPQYJWNHDKASP-APWZRJJASA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@H]3CCC[C@@H](C)C3)c(=O)cc2C)cc1 ZINC000811732350 1136132306 /nfs/dbraw/zinc/13/23/06/1136132306.db2.gz QFPQYJWNHDKASP-APWZRJJASA-N 1 2 339.483 3.995 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC001202355008 1136132597 /nfs/dbraw/zinc/13/25/97/1136132597.db2.gz PNOYYHMJRGTDJD-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202374124 1136135451 /nfs/dbraw/zinc/13/54/51/1136135451.db2.gz SFLNTMKZKFHTHN-UHFFFAOYSA-N 1 2 331.803 3.810 20 0 EHADLO O=C1[C@@H](Cc2ccccc2)CCN1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000811765656 1136137012 /nfs/dbraw/zinc/13/70/12/1136137012.db2.gz LENOPCGTHXGSHX-LJQANCHMSA-N 1 2 346.474 3.583 20 0 EHADLO O=C1[C@@H](Cc2ccccc2)CCN1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000811765656 1136137014 /nfs/dbraw/zinc/13/70/14/1136137014.db2.gz LENOPCGTHXGSHX-LJQANCHMSA-N 1 2 346.474 3.583 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001202380511 1136137106 /nfs/dbraw/zinc/13/71/06/1136137106.db2.gz HWWBOPPFULXXGM-HNNXBMFYSA-N 1 2 330.819 3.526 20 0 EHADLO Cc1ccc(CCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC001133033116 1136146601 /nfs/dbraw/zinc/14/66/01/1136146601.db2.gz QOTVWXVSCQDKOZ-NRFANRHFSA-N 1 2 347.462 3.990 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)ccc1F ZINC000265920113 1136151758 /nfs/dbraw/zinc/15/17/58/1136151758.db2.gz GUBJZEVYEYVMRY-LRDDRELGSA-N 1 2 348.397 3.728 20 0 EHADLO CC(C)COc1ccccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000338913822 1136159425 /nfs/dbraw/zinc/15/94/25/1136159425.db2.gz APBREWADAUGFAY-UHFFFAOYSA-N 1 2 328.456 3.632 20 0 EHADLO CC(C)COc1ccccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000338913822 1136159426 /nfs/dbraw/zinc/15/94/26/1136159426.db2.gz APBREWADAUGFAY-UHFFFAOYSA-N 1 2 328.456 3.632 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000825536731 1136168320 /nfs/dbraw/zinc/16/83/20/1136168320.db2.gz MBFIXYSZVBCZAM-SNVBAGLBSA-N 1 2 345.315 3.707 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000825536731 1136168321 /nfs/dbraw/zinc/16/83/21/1136168321.db2.gz MBFIXYSZVBCZAM-SNVBAGLBSA-N 1 2 345.315 3.707 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338921087 1136171609 /nfs/dbraw/zinc/17/16/09/1136171609.db2.gz NWRDMUDSAQGAIM-UHFFFAOYSA-N 1 2 331.412 3.659 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338921087 1136171612 /nfs/dbraw/zinc/17/16/12/1136171612.db2.gz NWRDMUDSAQGAIM-UHFFFAOYSA-N 1 2 331.412 3.659 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)OCc1c[nH+]cn1C ZINC000747782720 1136196027 /nfs/dbraw/zinc/19/60/27/1136196027.db2.gz OXXRAXRFOKJFJP-UHFFFAOYSA-N 1 2 342.420 3.904 20 0 EHADLO CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000812421720 1136205309 /nfs/dbraw/zinc/20/53/09/1136205309.db2.gz MJZBSTDWUBSKSO-IRXDYDNUSA-N 1 2 341.455 3.761 20 0 EHADLO Fc1cccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000850504009 1136273312 /nfs/dbraw/zinc/27/33/12/1136273312.db2.gz RVMMOKUYWOTFKZ-HZSPNIEDSA-N 1 2 333.444 3.887 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)nnn1-c1ccc(C)cc1 ZINC000850530174 1136279200 /nfs/dbraw/zinc/27/92/00/1136279200.db2.gz WLCLTGMCLGQWKY-PNHOKKKMSA-N 1 2 348.450 3.713 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccccc1SC(C)(C)C ZINC000850540190 1136282215 /nfs/dbraw/zinc/28/22/15/1136282215.db2.gz JAVAIOLPDIWLDR-LLVKDONJSA-N 1 2 349.525 3.983 20 0 EHADLO COc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1OC ZINC000109465368 1136296405 /nfs/dbraw/zinc/29/64/05/1136296405.db2.gz VWLMVBICBSXZEL-UHFFFAOYSA-N 1 2 348.362 3.607 20 0 EHADLO C[C@H](O[NH+]=C(N)Cc1ccccc1)c1nnc(-c2cccs2)o1 ZINC000747864897 1136354951 /nfs/dbraw/zinc/35/49/51/1136354951.db2.gz SWEFEIHZCLZROY-NSHDSACASA-N 1 2 328.397 3.600 20 0 EHADLO CSc1cc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c(C)o1 ZINC000851402267 1136376544 /nfs/dbraw/zinc/37/65/44/1136376544.db2.gz WALSUAGXWBGSAQ-UHFFFAOYSA-N 1 2 346.452 3.778 20 0 EHADLO CC(C)n1cccc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399588 1136376974 /nfs/dbraw/zinc/37/69/74/1136376974.db2.gz BCWPQTLJFUWAAP-UHFFFAOYSA-N 1 2 327.428 3.537 20 0 EHADLO CC(C)c1ncc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000851400066 1136377054 /nfs/dbraw/zinc/37/70/54/1136377054.db2.gz QAWSCXISDPFCPG-UHFFFAOYSA-N 1 2 345.468 3.735 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)co1 ZINC000851809274 1136409735 /nfs/dbraw/zinc/40/97/35/1136409735.db2.gz UZPGROAIFZCLCD-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)co1 ZINC000851809274 1136409737 /nfs/dbraw/zinc/40/97/37/1136409737.db2.gz UZPGROAIFZCLCD-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO CCOc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OCC(C)C ZINC000814181324 1136418212 /nfs/dbraw/zinc/41/82/12/1136418212.db2.gz XYBFTCIIGOKGGD-INIZCTEOSA-N 1 2 349.471 3.646 20 0 EHADLO CCOc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OCC(C)C ZINC000814181324 1136418214 /nfs/dbraw/zinc/41/82/14/1136418214.db2.gz XYBFTCIIGOKGGD-INIZCTEOSA-N 1 2 349.471 3.646 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000814225603 1136425599 /nfs/dbraw/zinc/42/55/99/1136425599.db2.gz JAEPNPACOVWKJL-MRXNPFEDSA-N 1 2 328.485 3.666 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000814225603 1136425603 /nfs/dbraw/zinc/42/56/03/1136425603.db2.gz JAEPNPACOVWKJL-MRXNPFEDSA-N 1 2 328.485 3.666 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000814224443 1136425825 /nfs/dbraw/zinc/42/58/25/1136425825.db2.gz HGIMBRBZOQVCCH-SFHVURJKSA-N 1 2 339.483 3.550 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000814224443 1136425827 /nfs/dbraw/zinc/42/58/27/1136425827.db2.gz HGIMBRBZOQVCCH-SFHVURJKSA-N 1 2 339.483 3.550 20 0 EHADLO CCc1oc(C[NH2+][C@H](C)c2cc(F)ccc2OC)cc1C(=O)OC ZINC000338941645 1136430559 /nfs/dbraw/zinc/43/05/59/1136430559.db2.gz KMUPYUMZSZZGQW-LLVKDONJSA-N 1 2 335.375 3.627 20 0 EHADLO CC(C)n1cc(C2=CCC[N@H+](Cc3cnc(Cl)c(F)c3)CC2)nn1 ZINC000852134561 1136435934 /nfs/dbraw/zinc/43/59/34/1136435934.db2.gz FKHHWDWQZQNAHT-UHFFFAOYSA-N 1 2 349.841 3.726 20 0 EHADLO CC(C)n1cc(C2=CCC[N@@H+](Cc3cnc(Cl)c(F)c3)CC2)nn1 ZINC000852134561 1136435937 /nfs/dbraw/zinc/43/59/37/1136435937.db2.gz FKHHWDWQZQNAHT-UHFFFAOYSA-N 1 2 349.841 3.726 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334146 1136450123 /nfs/dbraw/zinc/45/01/23/1136450123.db2.gz GQYSDZUHGAFJKP-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334146 1136450124 /nfs/dbraw/zinc/45/01/24/1136450124.db2.gz GQYSDZUHGAFJKP-LLVKDONJSA-N 1 2 335.329 3.659 20 0 EHADLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748966 1136459086 /nfs/dbraw/zinc/45/90/86/1136459086.db2.gz BMYFAIJFQSWVTB-PLYYQAHHSA-N 1 2 329.488 3.621 20 0 EHADLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748966 1136459089 /nfs/dbraw/zinc/45/90/89/1136459089.db2.gz BMYFAIJFQSWVTB-PLYYQAHHSA-N 1 2 329.488 3.621 20 0 EHADLO FC1(F)CC(C[N@@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000852726230 1136480470 /nfs/dbraw/zinc/48/04/70/1136480470.db2.gz XUOPDPZVGNJIAY-UHFFFAOYSA-N 1 2 332.188 3.689 20 0 EHADLO FC1(F)CC(C[N@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000852726230 1136480473 /nfs/dbraw/zinc/48/04/73/1136480473.db2.gz XUOPDPZVGNJIAY-UHFFFAOYSA-N 1 2 332.188 3.689 20 0 EHADLO CCCc1nc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)no1 ZINC000852733320 1136482198 /nfs/dbraw/zinc/48/21/98/1136482198.db2.gz YNOJKNUUKNLGMC-IAGOWNOFSA-N 1 2 337.851 3.523 20 0 EHADLO CCCc1nc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000852733323 1136482489 /nfs/dbraw/zinc/48/24/89/1136482489.db2.gz YNOJKNUUKNLGMC-SJORKVTESA-N 1 2 337.851 3.523 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc2c(c1)CCCO2 ZINC000852781801 1136486388 /nfs/dbraw/zinc/48/63/88/1136486388.db2.gz GIXAXGJOZHBSLB-GFCCVEGCSA-N 1 2 325.368 3.505 20 0 EHADLO Cc1ccc(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)c(N(C)C)[nH+]1 ZINC000814678930 1136490176 /nfs/dbraw/zinc/49/01/76/1136490176.db2.gz YFFWANSVSQVSKV-CYBMUJFWSA-N 1 2 340.418 3.793 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)nc2ccccc12 ZINC000111092375 1136510922 /nfs/dbraw/zinc/51/09/22/1136510922.db2.gz RYNYUGLGPUIOQK-QGZVFWFLSA-N 1 2 346.858 3.924 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)nc2ccccc12 ZINC000111092375 1136510924 /nfs/dbraw/zinc/51/09/24/1136510924.db2.gz RYNYUGLGPUIOQK-QGZVFWFLSA-N 1 2 346.858 3.924 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000853378108 1136528847 /nfs/dbraw/zinc/52/88/47/1136528847.db2.gz RBMGVXWCCZHXTH-NSHDSACASA-N 1 2 338.329 3.989 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C ZINC000747985947 1136532581 /nfs/dbraw/zinc/53/25/81/1136532581.db2.gz PIXDARLWNLHLFK-IXDOHACOSA-N 1 2 345.487 3.865 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000853499311 1136538559 /nfs/dbraw/zinc/53/85/59/1136538559.db2.gz JAFVWIWQBZNRIK-HNNXBMFYSA-N 1 2 332.410 3.647 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N(CCC1CC1)CC1CC1 ZINC000853505506 1136539110 /nfs/dbraw/zinc/53/91/10/1136539110.db2.gz YSRXGLPVGMFQCU-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](CN1C[C@H](c3cccnc3)CC1=O)CC2 ZINC000853534529 1136542364 /nfs/dbraw/zinc/54/23/64/1136542364.db2.gz UKWDPPBODDAXLT-OAQYLSRUSA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](CN1C[C@H](c3cccnc3)CC1=O)CC2 ZINC000853534529 1136542366 /nfs/dbraw/zinc/54/23/66/1136542366.db2.gz UKWDPPBODDAXLT-OAQYLSRUSA-N 1 2 349.478 3.537 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1=S ZINC000853554969 1136544203 /nfs/dbraw/zinc/54/42/03/1136544203.db2.gz QRZYUXKOXLULIQ-LBPRGKRZSA-N 1 2 330.448 3.748 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1=S ZINC000853554969 1136544206 /nfs/dbraw/zinc/54/42/06/1136544206.db2.gz QRZYUXKOXLULIQ-LBPRGKRZSA-N 1 2 330.448 3.748 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](CCF)C2)c(=S)n1Cc1ccccc1 ZINC000853564686 1136544999 /nfs/dbraw/zinc/54/49/99/1136544999.db2.gz SLRTZBFVZKJKNG-QGZVFWFLSA-N 1 2 348.491 3.800 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](CCF)C2)c(=S)n1Cc1ccccc1 ZINC000853564686 1136545003 /nfs/dbraw/zinc/54/50/03/1136545003.db2.gz SLRTZBFVZKJKNG-QGZVFWFLSA-N 1 2 348.491 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+](C)CC3=CCSC3)c2=S)c1 ZINC000853618594 1136549562 /nfs/dbraw/zinc/54/95/62/1136549562.db2.gz HRGMXDLUWLBDLN-UHFFFAOYSA-N 1 2 347.509 3.579 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+](C)CC3=CCSC3)c2=S)c1 ZINC000853618594 1136549566 /nfs/dbraw/zinc/54/95/66/1136549566.db2.gz HRGMXDLUWLBDLN-UHFFFAOYSA-N 1 2 347.509 3.579 20 0 EHADLO C[N@@H+](CC1=CCSC1)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000853619753 1136550226 /nfs/dbraw/zinc/55/02/26/1136550226.db2.gz GPPZLZSHCRHQDD-SFHVURJKSA-N 1 2 342.508 3.693 20 0 EHADLO C[N@H+](CC1=CCSC1)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000853619753 1136550227 /nfs/dbraw/zinc/55/02/27/1136550227.db2.gz GPPZLZSHCRHQDD-SFHVURJKSA-N 1 2 342.508 3.693 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)CC3=CCSC3)c2=S)c1 ZINC000853619137 1136550605 /nfs/dbraw/zinc/55/06/05/1136550605.db2.gz WMPDPSYILLARMH-UHFFFAOYSA-N 1 2 331.510 3.879 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)CC3=CCSC3)c2=S)c1 ZINC000853619137 1136550607 /nfs/dbraw/zinc/55/06/07/1136550607.db2.gz WMPDPSYILLARMH-UHFFFAOYSA-N 1 2 331.510 3.879 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccnc(Br)c2)C1 ZINC000815092143 1136555115 /nfs/dbraw/zinc/55/51/15/1136555115.db2.gz AOBRWKQZNTWGKK-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000815092143 1136555116 /nfs/dbraw/zinc/55/51/16/1136555116.db2.gz AOBRWKQZNTWGKK-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO CC(C)(C)NC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001202491103 1136606708 /nfs/dbraw/zinc/60/67/08/1136606708.db2.gz SYRHNQYLVTWLNA-UHFFFAOYSA-N 1 2 341.858 3.541 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173261297 1136629696 /nfs/dbraw/zinc/62/96/96/1136629696.db2.gz ZFEUBQJHZWZHEQ-MRXNPFEDSA-N 1 2 341.455 3.901 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173261297 1136629697 /nfs/dbraw/zinc/62/96/97/1136629697.db2.gz ZFEUBQJHZWZHEQ-MRXNPFEDSA-N 1 2 341.455 3.901 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@@H]1c1cccs1 ZINC001135280314 1136653089 /nfs/dbraw/zinc/65/30/89/1136653089.db2.gz SHHWQXFKJWBVSJ-OAHLLOKOSA-N 1 2 339.420 3.617 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776794090 1136665248 /nfs/dbraw/zinc/66/52/48/1136665248.db2.gz XNJAFQYQPVQVIM-QGZVFWFLSA-N 1 2 348.450 3.882 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(CC)CC ZINC000776792497 1136666270 /nfs/dbraw/zinc/66/62/70/1136666270.db2.gz PWCRLIGAOIOXEJ-OALUTQOASA-N 1 2 332.488 3.919 20 0 EHADLO CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H](C)C(C)C ZINC000265975536 1136674975 /nfs/dbraw/zinc/67/49/75/1136674975.db2.gz VHPQBWDVNVVHAZ-MRXNPFEDSA-N 1 2 344.459 3.860 20 0 EHADLO CC1(C)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001135408927 1136678923 /nfs/dbraw/zinc/67/89/23/1136678923.db2.gz LMNCNFHORMJYTG-MOPGFXCFSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000265980766 1136698431 /nfs/dbraw/zinc/69/84/31/1136698431.db2.gz YUNSJWPFSVVFLR-STQMWFEESA-N 1 2 339.361 3.600 20 0 EHADLO CC(C)C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000776820797 1136709909 /nfs/dbraw/zinc/70/99/09/1136709909.db2.gz GCCOZUCVXIYKFA-UONOGXRCSA-N 1 2 331.464 3.587 20 0 EHADLO C[C@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000816527331 1136734179 /nfs/dbraw/zinc/73/41/79/1136734179.db2.gz FPVOPOVPBZKRPG-OAHLLOKOSA-N 1 2 328.481 3.989 20 0 EHADLO CC[C@@H]([NH2+]Cc1nonc1C)c1cc(F)cc(Br)c1 ZINC000776840261 1136736437 /nfs/dbraw/zinc/73/64/37/1136736437.db2.gz XNYHSQGLURXVAD-GFCCVEGCSA-N 1 2 328.185 3.521 20 0 EHADLO COc1cc(C)sc1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000113783548 1136741139 /nfs/dbraw/zinc/74/11/39/1136741139.db2.gz OTWUKVPYMZLUQY-UHFFFAOYSA-N 1 2 349.452 3.575 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2cccc(F)c2)c1C ZINC000173325226 1136759038 /nfs/dbraw/zinc/75/90/38/1136759038.db2.gz HCVQRJVHHXRUPK-CYBMUJFWSA-N 1 2 330.403 3.608 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+](CC)CC2)sc1-c1ccccc1 ZINC001135859816 1136792452 /nfs/dbraw/zinc/79/24/52/1136792452.db2.gz CPSZQCZZLPUYBJ-UHFFFAOYSA-N 1 2 328.481 3.755 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000856721979 1136802985 /nfs/dbraw/zinc/80/29/85/1136802985.db2.gz HCKKWJGVPPEQSO-INIZCTEOSA-N 1 2 341.542 3.805 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000856721979 1136802989 /nfs/dbraw/zinc/80/29/89/1136802989.db2.gz HCKKWJGVPPEQSO-INIZCTEOSA-N 1 2 341.542 3.805 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000817405820 1136805083 /nfs/dbraw/zinc/80/50/83/1136805083.db2.gz JEQVFEJWAPVEHD-IRXDYDNUSA-N 1 2 338.451 3.890 20 0 EHADLO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856777093 1136810568 /nfs/dbraw/zinc/81/05/68/1136810568.db2.gz PQCCANSIKKLBJQ-LURJTMIESA-N 1 2 336.770 3.765 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C(C)(C)C)cn2)n1 ZINC000817524891 1136816638 /nfs/dbraw/zinc/81/66/38/1136816638.db2.gz YSPOQLBRDQJMLT-UHFFFAOYSA-N 1 2 346.500 3.930 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cccc2[nH+]ccn21 ZINC000817497737 1136817053 /nfs/dbraw/zinc/81/70/53/1136817053.db2.gz YWKRMZRJCDPVHN-MRXNPFEDSA-N 1 2 349.434 3.818 20 0 EHADLO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000817950102 1136850799 /nfs/dbraw/zinc/85/07/99/1136850799.db2.gz RUVWXQRTQQVTNS-UONOGXRCSA-N 1 2 338.398 3.824 20 0 EHADLO O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136140495 1136877235 /nfs/dbraw/zinc/87/72/35/1136877235.db2.gz YLJOAZJLMBGMHU-OTVXOJSOSA-N 1 2 335.411 3.567 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cscc2C(F)(F)F)c2ccccc2C1 ZINC000857585084 1136886222 /nfs/dbraw/zinc/88/62/22/1136886222.db2.gz SVZRSFZIDMNXRF-UHFFFAOYSA-N 1 2 340.370 3.859 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cscc2C(F)(F)F)c2ccccc2C1 ZINC000857585084 1136886224 /nfs/dbraw/zinc/88/62/24/1136886224.db2.gz SVZRSFZIDMNXRF-UHFFFAOYSA-N 1 2 340.370 3.859 20 0 EHADLO CCC(CC)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000818629953 1136886683 /nfs/dbraw/zinc/88/66/83/1136886683.db2.gz HLRMFXQMAWNZEC-KRWDZBQOSA-N 1 2 332.488 3.520 20 0 EHADLO CCC(CC)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000818629953 1136886687 /nfs/dbraw/zinc/88/66/87/1136886687.db2.gz HLRMFXQMAWNZEC-KRWDZBQOSA-N 1 2 332.488 3.520 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857865912 1136914822 /nfs/dbraw/zinc/91/48/22/1136914822.db2.gz QCCXMJFHHCCBJZ-INIZCTEOSA-N 1 2 328.460 3.787 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857865912 1136914824 /nfs/dbraw/zinc/91/48/24/1136914824.db2.gz QCCXMJFHHCCBJZ-INIZCTEOSA-N 1 2 328.460 3.787 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)N[C@H]1CCn2c[nH+]cc21 ZINC000857981098 1136926726 /nfs/dbraw/zinc/92/67/26/1136926726.db2.gz XCZNWNZQXJCYGL-ZDUSSCGKSA-N 1 2 331.828 3.555 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@@H]1CCn4c[nH+]cc41)(C2)C3 ZINC000857981584 1136926907 /nfs/dbraw/zinc/92/69/07/1136926907.db2.gz HIMILFHTWCFUIH-RANJNGMFSA-N 1 2 327.472 3.831 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CCn2c[nH+]cc21)Cc1ccc(Cl)cc1 ZINC000857982935 1136926951 /nfs/dbraw/zinc/92/69/51/1136926951.db2.gz STLSFYDORFSHEP-HNNXBMFYSA-N 1 2 331.847 3.757 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977158 1136927041 /nfs/dbraw/zinc/92/70/41/1136927041.db2.gz AUXMTVBPIPLWPV-RNVIBTMRSA-N 1 2 336.222 3.854 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@H]3CCn4c[nH+]cc43)cc2C1 ZINC000857990379 1136927727 /nfs/dbraw/zinc/92/77/27/1136927727.db2.gz OOKBPWINNOZSJN-KGLIPLIRSA-N 1 2 343.496 3.970 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc2c(s1)-c1ccccc1CC2 ZINC000857990386 1136927830 /nfs/dbraw/zinc/92/78/30/1136927830.db2.gz OSPIDKZXPORZNQ-HNNXBMFYSA-N 1 2 335.432 3.585 20 0 EHADLO CC(C)(C)c1ccc(OCCCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857990059 1136927903 /nfs/dbraw/zinc/92/79/03/1136927903.db2.gz MIWGKNCJDKVXQH-QGZVFWFLSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1csc(C[NH2+]Cc2cc(C)c(F)cc2Br)n1 ZINC000858093017 1136938952 /nfs/dbraw/zinc/93/89/52/1136938952.db2.gz PRTRYOIGHFUQIW-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO Cc1c2nc(NC(=O)c3cccc4[nH+]ccn43)sc2ccc1F ZINC000777009591 1136950279 /nfs/dbraw/zinc/95/02/79/1136950279.db2.gz UBYQFAGXHJMXQT-UHFFFAOYSA-N 1 2 326.356 3.644 20 0 EHADLO O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cccc2[nH+]ccn21 ZINC000777010994 1136953646 /nfs/dbraw/zinc/95/36/46/1136953646.db2.gz GADMUXSZFDHHGU-HNNXBMFYSA-N 1 2 333.391 3.511 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858383514 1136963391 /nfs/dbraw/zinc/96/33/91/1136963391.db2.gz YZZJFJABIVZQSA-CQSZACIVSA-N 1 2 327.428 3.586 20 0 EHADLO CCn1ncc(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)n1 ZINC000858443793 1136968020 /nfs/dbraw/zinc/96/80/20/1136968020.db2.gz GTLMDKKZMFAFCC-CQSZACIVSA-N 1 2 344.406 3.511 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC[C@H]2CCCC2(C)C)C1 ZINC000858648740 1136983874 /nfs/dbraw/zinc/98/38/74/1136983874.db2.gz RWNLPHDHTXSDPK-HZPDHXFCSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000858727847 1136989179 /nfs/dbraw/zinc/98/91/79/1136989179.db2.gz QTCNIGVHXBAYBB-KSZLIROESA-N 1 2 343.446 3.747 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)OCC1CCCCC1 ZINC000858893860 1136996088 /nfs/dbraw/zinc/99/60/88/1136996088.db2.gz VPEIUBUTNJNYFD-UHFFFAOYSA-N 1 2 327.428 3.738 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000858934059 1136997546 /nfs/dbraw/zinc/99/75/46/1136997546.db2.gz VVHAIJVWWXHDQT-DUXPYHPUSA-N 1 2 333.482 3.543 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)OCCc1ccccc1 ZINC000859132777 1137004352 /nfs/dbraw/zinc/00/43/52/1137004352.db2.gz ZLPUMDXKVRRUMR-UHFFFAOYSA-N 1 2 329.444 3.537 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccnc(F)c1 ZINC000859257844 1137009814 /nfs/dbraw/zinc/00/98/14/1137009814.db2.gz GEGHUVFYVSRFCI-JYJNAYRXSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccnc(F)c1 ZINC000859257844 1137009815 /nfs/dbraw/zinc/00/98/15/1137009815.db2.gz GEGHUVFYVSRFCI-JYJNAYRXSA-N 1 2 334.435 3.696 20 0 EHADLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]1O ZINC000821305531 1137021929 /nfs/dbraw/zinc/02/19/29/1137021929.db2.gz GYGYDJOLZVEKIF-DZGCQCFKSA-N 1 2 341.835 3.903 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CCO2)c1 ZINC000821368272 1137024991 /nfs/dbraw/zinc/02/49/91/1137024991.db2.gz MOQPFLYXBHBUMN-XVAXZDLZSA-N 1 2 341.426 3.947 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CCO2)c1 ZINC000821368272 1137024992 /nfs/dbraw/zinc/02/49/92/1137024992.db2.gz MOQPFLYXBHBUMN-XVAXZDLZSA-N 1 2 341.426 3.947 20 0 EHADLO Clc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000859831581 1137033666 /nfs/dbraw/zinc/03/36/66/1137033666.db2.gz ZHIQQBOSHPTQLJ-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc(Cl)n1 ZINC000859834196 1137033814 /nfs/dbraw/zinc/03/38/14/1137033814.db2.gz TYFZYSMBFBCBHS-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000859842106 1137034320 /nfs/dbraw/zinc/03/43/20/1137034320.db2.gz BQFQKPOFVZSLPJ-UHFFFAOYSA-N 1 2 348.708 3.682 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(SC2CC2)cc1 ZINC001136504670 1137039472 /nfs/dbraw/zinc/03/94/72/1137039472.db2.gz JWDWWODKGUQIQT-UHFFFAOYSA-N 1 2 338.476 3.687 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873441 1137041375 /nfs/dbraw/zinc/04/13/75/1137041375.db2.gz YVCNDUKCGAMDLG-VLIAUNLRSA-N 1 2 338.426 3.765 20 0 EHADLO C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873441 1137041377 /nfs/dbraw/zinc/04/13/77/1137041377.db2.gz YVCNDUKCGAMDLG-VLIAUNLRSA-N 1 2 338.426 3.765 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000860095932 1137044177 /nfs/dbraw/zinc/04/41/77/1137044177.db2.gz VGJPBXMBIGMRBN-CQSZACIVSA-N 1 2 338.496 3.589 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000860095932 1137044178 /nfs/dbraw/zinc/04/41/78/1137044178.db2.gz VGJPBXMBIGMRBN-CQSZACIVSA-N 1 2 338.496 3.589 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ccc(Cl)nc1Cl)NC(=O)OC(C)(C)C ZINC000860095610 1137044185 /nfs/dbraw/zinc/04/41/85/1137044185.db2.gz HEPPBGLNNGMGGJ-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)nc1Cl)NC(=O)OC(C)(C)C ZINC000860095610 1137044186 /nfs/dbraw/zinc/04/41/86/1137044186.db2.gz HEPPBGLNNGMGGJ-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@]1(CCOC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000822040369 1137047390 /nfs/dbraw/zinc/04/73/90/1137047390.db2.gz KCRCIUGGQWBIHM-SJORKVTESA-N 1 2 336.794 3.793 20 0 EHADLO C[C@@]1(CCOC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000822040367 1137047511 /nfs/dbraw/zinc/04/75/11/1137047511.db2.gz KCRCIUGGQWBIHM-IAGOWNOFSA-N 1 2 336.794 3.793 20 0 EHADLO CSc1ccc(/C=C/C(=O)OCc2cc[nH+]c(N(C)C)c2)s1 ZINC000860288919 1137054069 /nfs/dbraw/zinc/05/40/69/1137054069.db2.gz BPDRTVIPWVPWOQ-GQCTYLIASA-N 1 2 334.466 3.688 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(C(F)F)o2)[nH+]1 ZINC000860544908 1137065599 /nfs/dbraw/zinc/06/55/99/1137065599.db2.gz VMJZWLUUVSAQQU-UHFFFAOYSA-N 1 2 339.338 3.727 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3cc(F)ccc3o2)c1C ZINC000117637225 1137068672 /nfs/dbraw/zinc/06/86/72/1137068672.db2.gz HSZAJFJRTQZTQQ-UHFFFAOYSA-N 1 2 328.343 3.522 20 0 EHADLO Cc1cc(NC(=O)[C@]2(C)OCCc3ccccc32)ccc1-n1cc[nH+]c1 ZINC001136625700 1137073398 /nfs/dbraw/zinc/07/33/98/1137073398.db2.gz UKUBPJXRCILWEC-OAQYLSRUSA-N 1 2 347.418 3.607 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)CC2 ZINC000822863246 1137077935 /nfs/dbraw/zinc/07/79/35/1137077935.db2.gz SPBMHGSXSDKEGJ-OAHLLOKOSA-N 1 2 337.345 3.583 20 0 EHADLO CCCCc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823396611 1137098096 /nfs/dbraw/zinc/09/80/96/1137098096.db2.gz AHYFNPQZGUDHMR-HNNXBMFYSA-N 1 2 345.443 3.811 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000823393378 1137098215 /nfs/dbraw/zinc/09/82/15/1137098215.db2.gz JLNDZZWLTWUKSN-BARDWOONSA-N 1 2 349.475 3.875 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823402171 1137098454 /nfs/dbraw/zinc/09/84/54/1137098454.db2.gz SIQGYRLLBOXIGI-LBPRGKRZSA-N 1 2 343.383 3.523 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cccc(Br)c1F ZINC000823409120 1137098931 /nfs/dbraw/zinc/09/89/31/1137098931.db2.gz URAHKELWGDUDER-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cccc(Br)c1F ZINC000823409120 1137098932 /nfs/dbraw/zinc/09/89/32/1137098932.db2.gz URAHKELWGDUDER-UHFFFAOYSA-N 1 2 327.197 3.825 20 0 EHADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccnc(Cl)c1F ZINC000823432503 1137099389 /nfs/dbraw/zinc/09/93/89/1137099389.db2.gz HOOVMUVJZRAIHD-UHFFFAOYSA-N 1 2 349.837 3.598 20 0 EHADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccnc(Cl)c1F ZINC000823432503 1137099390 /nfs/dbraw/zinc/09/93/90/1137099390.db2.gz HOOVMUVJZRAIHD-UHFFFAOYSA-N 1 2 349.837 3.598 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)C(=O)OCc1ccccc1 ZINC001171017204 1137101013 /nfs/dbraw/zinc/10/10/13/1137101013.db2.gz GTGMLVGKFKRSDE-WMLDXEAASA-N 1 2 343.854 3.919 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(F)cn1 ZINC000823477111 1137101801 /nfs/dbraw/zinc/10/18/01/1137101801.db2.gz KMCFMAOVGJNYQE-KRWDZBQOSA-N 1 2 332.394 3.584 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(F)cn1 ZINC000823477111 1137101802 /nfs/dbraw/zinc/10/18/02/1137101802.db2.gz KMCFMAOVGJNYQE-KRWDZBQOSA-N 1 2 332.394 3.584 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729005 1137102570 /nfs/dbraw/zinc/10/25/70/1137102570.db2.gz PEAUCDFGSLFFHX-KZMVESELSA-N 1 2 326.484 3.526 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2occc2c1 ZINC000861547027 1137110886 /nfs/dbraw/zinc/11/08/86/1137110886.db2.gz BMDIRCOGKSWKFA-INIZCTEOSA-N 1 2 326.400 3.866 20 0 EHADLO COc1cccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1 ZINC000823769694 1137113209 /nfs/dbraw/zinc/11/32/09/1137113209.db2.gz GVLLGKZLUJKQAP-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO O=C(CSC(F)F)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770517 1137113402 /nfs/dbraw/zinc/11/34/02/1137113402.db2.gz YDGBMUHOFQMBBT-UHFFFAOYSA-N 1 2 337.395 3.781 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2ccccn2)cc1 ZINC000824313875 1137131931 /nfs/dbraw/zinc/13/19/31/1137131931.db2.gz CUJIJGBBUHWQLP-OAQYLSRUSA-N 1 2 332.451 3.880 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c(Br)n1 ZINC000862220824 1137132733 /nfs/dbraw/zinc/13/27/33/1137132733.db2.gz QPHHHFPUGQJXBU-GFCCVEGCSA-N 1 2 326.263 3.581 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)c(Br)n1 ZINC000862220824 1137132734 /nfs/dbraw/zinc/13/27/34/1137132734.db2.gz QPHHHFPUGQJXBU-GFCCVEGCSA-N 1 2 326.263 3.581 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](Cc1cn(C)nc1Br)C1CC1 ZINC000862217859 1137132771 /nfs/dbraw/zinc/13/27/71/1137132771.db2.gz VQGKBWUPKDGXNJ-GFCCVEGCSA-N 1 2 334.261 3.908 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](Cc1cn(C)nc1Br)C1CC1 ZINC000862217859 1137132772 /nfs/dbraw/zinc/13/27/72/1137132772.db2.gz VQGKBWUPKDGXNJ-GFCCVEGCSA-N 1 2 334.261 3.908 20 0 EHADLO Clc1cccc2[nH]c(C[NH+]3CCN(c4ccccn4)CC3)cc21 ZINC001136856892 1137135277 /nfs/dbraw/zinc/13/52/77/1137135277.db2.gz UMVGTAIJMRFXPB-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000824395886 1137136483 /nfs/dbraw/zinc/13/64/83/1137136483.db2.gz KZKPOZXKOSVSIH-LIRRHRJNSA-N 1 2 348.874 3.913 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000824395886 1137136484 /nfs/dbraw/zinc/13/64/84/1137136484.db2.gz KZKPOZXKOSVSIH-LIRRHRJNSA-N 1 2 348.874 3.913 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)n1 ZINC000862280684 1137137010 /nfs/dbraw/zinc/13/70/10/1137137010.db2.gz PUELCJHZNYVMJL-LBPRGKRZSA-N 1 2 341.436 3.719 20 0 EHADLO Cc1[nH]c(CN2C[C@@H](C)Oc3ccc(Br)cc32)[nH+]c1C ZINC000862348743 1137139311 /nfs/dbraw/zinc/13/93/11/1137139311.db2.gz GBHCPLPCPBEIIC-SECBINFHSA-N 1 2 336.233 3.577 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2Cl)nn1 ZINC000862380141 1137141566 /nfs/dbraw/zinc/14/15/66/1137141566.db2.gz ROAARQUQKSHKBO-SECBINFHSA-N 1 2 330.741 3.703 20 0 EHADLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cnn1C ZINC001136908602 1137146799 /nfs/dbraw/zinc/14/67/99/1137146799.db2.gz KDJGVFPBVKKQBS-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cnn1C ZINC001136908602 1137146800 /nfs/dbraw/zinc/14/68/00/1137146800.db2.gz KDJGVFPBVKKQBS-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1C ZINC000824815128 1137153442 /nfs/dbraw/zinc/15/34/42/1137153442.db2.gz ZRUPCJOBKMAELY-RHSMWYFYSA-N 1 2 338.398 3.539 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)OCc3ccccc3)cn2c1 ZINC000794445598 1137155649 /nfs/dbraw/zinc/15/56/49/1137155649.db2.gz QXNCSBGSEVYUCC-UHFFFAOYSA-N 1 2 326.421 3.619 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000794444989 1137156420 /nfs/dbraw/zinc/15/64/20/1137156420.db2.gz OHDSIOQNCPGZPJ-XHDPSFHLSA-N 1 2 325.239 3.905 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000794444989 1137156421 /nfs/dbraw/zinc/15/64/21/1137156421.db2.gz OHDSIOQNCPGZPJ-XHDPSFHLSA-N 1 2 325.239 3.905 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[NH+]1CCC(c2ccco2)CC1 ZINC000863270392 1137179086 /nfs/dbraw/zinc/17/90/86/1137179086.db2.gz NPJGRSFOTWEBPY-SFHVURJKSA-N 1 2 326.396 3.610 20 0 EHADLO C[C@H]1C[NH+](CN2c3cccc4cccc(c34)C2=O)C[C@H](C)C1(F)F ZINC000863275135 1137179111 /nfs/dbraw/zinc/17/91/11/1137179111.db2.gz PQMHLJOIRSDGND-STQMWFEESA-N 1 2 330.378 3.981 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000863318932 1137181041 /nfs/dbraw/zinc/18/10/41/1137181041.db2.gz AQMRYGKVNFASCY-UHFFFAOYSA-N 1 2 338.373 3.566 20 0 EHADLO O=C1CC2(CCCC2)N1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000863318932 1137181042 /nfs/dbraw/zinc/18/10/42/1137181042.db2.gz AQMRYGKVNFASCY-UHFFFAOYSA-N 1 2 338.373 3.566 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CCCC3(CC3)CC2)c1=S ZINC000863331754 1137181250 /nfs/dbraw/zinc/18/12/50/1137181250.db2.gz UUHLBRZGMBFBOD-UHFFFAOYSA-N 1 2 344.484 3.635 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CCCC3(CC3)CC2)c1=S ZINC000863331754 1137181252 /nfs/dbraw/zinc/18/12/52/1137181252.db2.gz UUHLBRZGMBFBOD-UHFFFAOYSA-N 1 2 344.484 3.635 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339779 1137181649 /nfs/dbraw/zinc/18/16/49/1137181649.db2.gz IWPAHTUZKPWCMR-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339779 1137181650 /nfs/dbraw/zinc/18/16/50/1137181650.db2.gz IWPAHTUZKPWCMR-NHZBNJEXSA-N 1 2 343.500 3.649 20 0 EHADLO Cc1cnc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1Br ZINC001143650609 1137186677 /nfs/dbraw/zinc/18/66/77/1137186677.db2.gz NZGCZLBOTXIUPE-PHIMTYICSA-N 1 2 331.204 3.630 20 0 EHADLO Cc1cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1Br ZINC001143650609 1137186678 /nfs/dbraw/zinc/18/66/78/1137186678.db2.gz NZGCZLBOTXIUPE-PHIMTYICSA-N 1 2 331.204 3.630 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C(F)(F)F ZINC001143676728 1137188519 /nfs/dbraw/zinc/18/85/19/1137188519.db2.gz ORWWKCFSXFQYGQ-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1C(F)(F)F ZINC001143676728 1137188521 /nfs/dbraw/zinc/18/85/21/1137188521.db2.gz ORWWKCFSXFQYGQ-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001143738962 1137193585 /nfs/dbraw/zinc/19/35/85/1137193585.db2.gz CTGCQVSLPJEYBY-CZUORRHYSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001143738962 1137193587 /nfs/dbraw/zinc/19/35/87/1137193587.db2.gz CTGCQVSLPJEYBY-CZUORRHYSA-N 1 2 327.827 3.879 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000863616373 1137194863 /nfs/dbraw/zinc/19/48/63/1137194863.db2.gz JCKHLZJWNWXMHQ-JTQLQIEISA-N 1 2 341.358 3.696 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143861007 1137205224 /nfs/dbraw/zinc/20/52/24/1137205224.db2.gz XKVZJTIXQFHIGN-OAHLLOKOSA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143861007 1137205225 /nfs/dbraw/zinc/20/52/25/1137205225.db2.gz XKVZJTIXQFHIGN-OAHLLOKOSA-N 1 2 334.218 3.908 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143896213 1137212807 /nfs/dbraw/zinc/21/28/07/1137212807.db2.gz WWLCCLBQNSUROB-LLVKDONJSA-N 1 2 343.826 3.651 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143896213 1137212808 /nfs/dbraw/zinc/21/28/08/1137212808.db2.gz WWLCCLBQNSUROB-LLVKDONJSA-N 1 2 343.826 3.651 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794581981 1137213751 /nfs/dbraw/zinc/21/37/51/1137213751.db2.gz KYACXXICLUWEJE-LPHOPBHVSA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794581981 1137213753 /nfs/dbraw/zinc/21/37/53/1137213753.db2.gz KYACXXICLUWEJE-LPHOPBHVSA-N 1 2 346.858 3.658 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001143937362 1137216161 /nfs/dbraw/zinc/21/61/61/1137216161.db2.gz KWJVKRCUMHTDOK-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001143937362 1137216162 /nfs/dbraw/zinc/21/61/62/1137216162.db2.gz KWJVKRCUMHTDOK-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143931397 1137217742 /nfs/dbraw/zinc/21/77/42/1137217742.db2.gz SEVRQJRRBXCRDZ-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143931397 1137217743 /nfs/dbraw/zinc/21/77/43/1137217743.db2.gz SEVRQJRRBXCRDZ-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1cccc(Oc2ccccc2)c1 ZINC000844454395 1137221441 /nfs/dbraw/zinc/22/14/41/1137221441.db2.gz NFYFUUXQCXNHQL-CALCHBBNSA-N 1 2 344.361 3.614 20 0 EHADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1cccc(Oc2ccccc2)c1 ZINC000844454395 1137221442 /nfs/dbraw/zinc/22/14/42/1137221442.db2.gz NFYFUUXQCXNHQL-CALCHBBNSA-N 1 2 344.361 3.614 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794628139 1137221874 /nfs/dbraw/zinc/22/18/74/1137221874.db2.gz IGPRTXRLFHAWFU-ZDUSSCGKSA-N 1 2 334.489 3.656 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794628139 1137221875 /nfs/dbraw/zinc/22/18/75/1137221875.db2.gz IGPRTXRLFHAWFU-ZDUSSCGKSA-N 1 2 334.489 3.656 20 0 EHADLO Cc1ccc(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1Br ZINC000844485288 1137225631 /nfs/dbraw/zinc/22/56/31/1137225631.db2.gz BVORJVWHBBPDMH-LBPRGKRZSA-N 1 2 336.233 3.568 20 0 EHADLO O=C1OCCC12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC001143996074 1137226692 /nfs/dbraw/zinc/22/66/92/1137226692.db2.gz GESQKTJCFJOXHR-UHFFFAOYSA-N 1 2 347.764 3.888 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844631981 1137241401 /nfs/dbraw/zinc/24/14/01/1137241401.db2.gz UZETZWNKHKSHAJ-NUEKZKHPSA-N 1 2 348.245 3.718 20 0 EHADLO Fc1cc(F)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1Cl ZINC001144130404 1137244278 /nfs/dbraw/zinc/24/42/78/1137244278.db2.gz FKNIRUUZVXZNSE-UHFFFAOYSA-N 1 2 336.760 3.534 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(COc3ccccc3)CC2)c(C)[nH+]1 ZINC001144170665 1137247149 /nfs/dbraw/zinc/24/71/49/1137247149.db2.gz QUZYSZCGDYXMFZ-UHFFFAOYSA-N 1 2 338.451 3.938 20 0 EHADLO COc1ccc(C[C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000844881066 1137260076 /nfs/dbraw/zinc/26/00/76/1137260076.db2.gz XCKARJMWTCSERU-KRWDZBQOSA-N 1 2 349.434 3.580 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)csc2s1 ZINC000865140967 1137265002 /nfs/dbraw/zinc/26/50/02/1137265002.db2.gz NATJSRVSOHKEBN-GFCCVEGCSA-N 1 2 345.493 3.943 20 0 EHADLO CC/C=C(\F)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000865159844 1137266006 /nfs/dbraw/zinc/26/60/06/1137266006.db2.gz RYQSNTZVHCIREW-NSIKDUERSA-N 1 2 341.390 3.525 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000865422630 1137282327 /nfs/dbraw/zinc/28/23/27/1137282327.db2.gz RVDODUVAQAOTGU-UHFFFAOYSA-N 1 2 337.467 3.909 20 0 EHADLO Cc1cccc(-c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)n2C)c1 ZINC000845353076 1137287741 /nfs/dbraw/zinc/28/77/41/1137287741.db2.gz WGJGSJIBCGUGCR-UHFFFAOYSA-N 1 2 348.450 3.743 20 0 EHADLO CCCCn1cc(C[NH2+]Cc2c(Cl)cncc2Cl)c(C)n1 ZINC000865519654 1137291139 /nfs/dbraw/zinc/29/11/39/1137291139.db2.gz QJSZNOLSVNWMAT-UHFFFAOYSA-N 1 2 327.259 3.983 20 0 EHADLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC001144479367 1137298160 /nfs/dbraw/zinc/29/81/60/1137298160.db2.gz UYRHOLZEQQQCMR-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO O=C(OCC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000845752086 1137308370 /nfs/dbraw/zinc/30/83/70/1137308370.db2.gz JSPRNSPYOUZXDJ-LBPRGKRZSA-N 1 2 325.195 3.613 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000865803401 1137312870 /nfs/dbraw/zinc/31/28/70/1137312870.db2.gz AATMGFSXRMPESY-UHFFFAOYSA-N 1 2 345.315 3.806 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)n1 ZINC001144592490 1137314118 /nfs/dbraw/zinc/31/41/18/1137314118.db2.gz XYVYJIKROGECDQ-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)n1 ZINC001144592490 1137314119 /nfs/dbraw/zinc/31/41/19/1137314119.db2.gz XYVYJIKROGECDQ-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO Fc1ccc(COC2CCN(Cc3[nH+]cn4ccccc34)CC2)cc1 ZINC001144621883 1137319400 /nfs/dbraw/zinc/31/94/00/1137319400.db2.gz AZHYUKXKWKUTQL-UHFFFAOYSA-N 1 2 339.414 3.655 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Sc3ccncc3)CC2)cc1F ZINC001144658422 1137327122 /nfs/dbraw/zinc/32/71/22/1137327122.db2.gz VQRZLTWTSOMWKY-UHFFFAOYSA-N 1 2 336.407 3.822 20 0 EHADLO CC(C)(C)OC(=O)N1CCCCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000846069094 1137331457 /nfs/dbraw/zinc/33/14/57/1137331457.db2.gz BNARWHOIZAVSJC-UHFFFAOYSA-N 1 2 342.443 3.620 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2cc(Br)cnc12 ZINC001144704099 1137331678 /nfs/dbraw/zinc/33/16/78/1137331678.db2.gz UVNYTFQNOHTDGV-NSHDSACASA-N 1 2 345.244 3.704 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2cc(Br)cnc12 ZINC001144704099 1137331679 /nfs/dbraw/zinc/33/16/79/1137331679.db2.gz UVNYTFQNOHTDGV-NSHDSACASA-N 1 2 345.244 3.704 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H](OC2CCC2)CC1 ZINC000866146902 1137331882 /nfs/dbraw/zinc/33/18/82/1137331882.db2.gz QOGFNCTVGCKWGY-HNNXBMFYSA-N 1 2 343.475 3.509 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 ZINC000866179481 1137333558 /nfs/dbraw/zinc/33/35/58/1137333558.db2.gz BGBFOMZEJJUOCW-BRWVUGGUSA-N 1 2 325.456 3.502 20 0 EHADLO Cn1c2ccccc2[nH+]c1NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866191711 1137334257 /nfs/dbraw/zinc/33/42/57/1137334257.db2.gz QJGHZWQOURDROC-UHFFFAOYSA-N 1 2 349.360 3.737 20 0 EHADLO Brc1nc2c(s1)C[N@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144716590 1137334401 /nfs/dbraw/zinc/33/44/01/1137334401.db2.gz DSHWCXREXIWIDD-UHFFFAOYSA-N 1 2 348.269 3.945 20 0 EHADLO Brc1nc2c(s1)C[N@@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144716590 1137334403 /nfs/dbraw/zinc/33/44/03/1137334403.db2.gz DSHWCXREXIWIDD-UHFFFAOYSA-N 1 2 348.269 3.945 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727620 1137336975 /nfs/dbraw/zinc/33/69/75/1137336975.db2.gz ZMBXBBOBUJTMHR-UHFFFAOYSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)n1 ZINC000866307092 1137344007 /nfs/dbraw/zinc/34/40/07/1137344007.db2.gz QIGRKKAEJHXQGB-PXNSSMCTSA-N 1 2 337.398 3.742 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2noc3ccc(F)cc23)c1 ZINC000866514058 1137360498 /nfs/dbraw/zinc/36/04/98/1137360498.db2.gz USZZRGVLWKIDBA-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)on1 ZINC000866516165 1137360812 /nfs/dbraw/zinc/36/08/12/1137360812.db2.gz ROLLWIYKFRZIIC-LBPRGKRZSA-N 1 2 328.368 3.757 20 0 EHADLO C[C@]1(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@]1(F)Cl ZINC000846657589 1137360802 /nfs/dbraw/zinc/36/08/02/1137360802.db2.gz DSFPCEDSLMDOTQ-FHLIZLRMSA-N 1 2 349.837 3.753 20 0 EHADLO BrC1(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000846818614 1137369358 /nfs/dbraw/zinc/36/93/58/1137369358.db2.gz VZIJXOLDIHCRIW-MRXNPFEDSA-N 1 2 331.257 3.821 20 0 EHADLO BrC1(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000846818614 1137369360 /nfs/dbraw/zinc/36/93/60/1137369360.db2.gz VZIJXOLDIHCRIW-MRXNPFEDSA-N 1 2 331.257 3.821 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc4nonc4c3)n2)cc1 ZINC000846858870 1137372779 /nfs/dbraw/zinc/37/27/79/1137372779.db2.gz INEIBOFBNHGRTP-LBPRGKRZSA-N 1 2 349.394 3.686 20 0 EHADLO CC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000846953244 1137378807 /nfs/dbraw/zinc/37/88/07/1137378807.db2.gz WOXJVXQGNQIJCY-HNNXBMFYSA-N 1 2 330.472 3.746 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000867625586 1137382906 /nfs/dbraw/zinc/38/29/06/1137382906.db2.gz XZPURHPZGLAJKK-LBPRGKRZSA-N 1 2 338.395 3.606 20 0 EHADLO CN(c1ccc(Nc2cccc(CC(N)=O)c2)c[nH+]1)C1CCCCC1 ZINC001212615292 1137386255 /nfs/dbraw/zinc/38/62/55/1137386255.db2.gz SGIRIRVYKOOPPP-UHFFFAOYSA-N 1 2 338.455 3.622 20 0 EHADLO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c(=S)n1CCc1cccs1 ZINC000121873255 1137387636 /nfs/dbraw/zinc/38/76/36/1137387636.db2.gz VRNOMHVIQJLMAU-UHFFFAOYSA-N 1 2 348.541 3.860 20 0 EHADLO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c(=S)n1CCc1cccs1 ZINC000121873255 1137387637 /nfs/dbraw/zinc/38/76/37/1137387637.db2.gz VRNOMHVIQJLMAU-UHFFFAOYSA-N 1 2 348.541 3.860 20 0 EHADLO O=C(NC[C@H]1CCc2ccccc21)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001146661776 1137392325 /nfs/dbraw/zinc/39/23/25/1137392325.db2.gz NIWSIECFZPOSQH-QRVBRYPASA-N 1 2 349.478 3.899 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171290397 1137396234 /nfs/dbraw/zinc/39/62/34/1137396234.db2.gz XPJQEYFLZVTFMW-QWHCGFSZSA-N 1 2 339.863 3.527 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171290398 1137396337 /nfs/dbraw/zinc/39/63/37/1137396337.db2.gz XPJQEYFLZVTFMW-STQMWFEESA-N 1 2 339.863 3.527 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000869104383 1137436975 /nfs/dbraw/zinc/43/69/75/1137436975.db2.gz HLHWSJBFXXWBEK-IAGOWNOFSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000869104383 1137436977 /nfs/dbraw/zinc/43/69/77/1137436977.db2.gz HLHWSJBFXXWBEK-IAGOWNOFSA-N 1 2 341.480 3.781 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccsc1 ZINC000348098852 1137440284 /nfs/dbraw/zinc/44/02/84/1137440284.db2.gz URSGGCWZVFHNIC-CABCVRRESA-N 1 2 344.480 3.884 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccncc1 ZINC000348106673 1137441182 /nfs/dbraw/zinc/44/11/82/1137441182.db2.gz HQHRJQKOIMZSRW-UHFFFAOYSA-N 1 2 349.434 3.730 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccncc1 ZINC000348106673 1137441183 /nfs/dbraw/zinc/44/11/83/1137441183.db2.gz HQHRJQKOIMZSRW-UHFFFAOYSA-N 1 2 349.434 3.730 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068337 1137445760 /nfs/dbraw/zinc/44/57/60/1137445760.db2.gz DTHQMAQAEAIRPS-SJCJKPOMSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068337 1137445762 /nfs/dbraw/zinc/44/57/62/1137445762.db2.gz DTHQMAQAEAIRPS-SJCJKPOMSA-N 1 2 341.373 3.836 20 0 EHADLO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000282797156 1137449052 /nfs/dbraw/zinc/44/90/52/1137449052.db2.gz QNPRCVHQPMYVNW-INIZCTEOSA-N 1 2 328.460 3.653 20 0 EHADLO CC1(c2ccc(Cl)cc2)CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000348175726 1137450501 /nfs/dbraw/zinc/45/05/01/1137450501.db2.gz DPWLBSHAPRAAAC-UHFFFAOYSA-N 1 2 330.863 3.889 20 0 EHADLO Cc1ccoc1C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000282825275 1137453632 /nfs/dbraw/zinc/45/36/32/1137453632.db2.gz YWYSDLHWDLQABY-GFCCVEGCSA-N 1 2 326.165 3.713 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c(C)[nH]1 ZINC000348203365 1137454767 /nfs/dbraw/zinc/45/47/67/1137454767.db2.gz CBVQLHNIQAEYAO-AWEZNQCLSA-N 1 2 330.453 3.613 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c(C)[nH]1 ZINC000348203365 1137454768 /nfs/dbraw/zinc/45/47/68/1137454768.db2.gz CBVQLHNIQAEYAO-AWEZNQCLSA-N 1 2 330.453 3.613 20 0 EHADLO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266088726 1137466231 /nfs/dbraw/zinc/46/62/31/1137466231.db2.gz ILMRPVTVPHFIHP-AWEZNQCLSA-N 1 2 338.386 3.564 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000795120536 1137491851 /nfs/dbraw/zinc/49/18/51/1137491851.db2.gz IGFVHCSQRZYLPE-CQSZACIVSA-N 1 2 336.233 3.554 20 0 EHADLO Cc1cccc2c1CC[C@H]([N@@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001171571176 1137498710 /nfs/dbraw/zinc/49/87/10/1137498710.db2.gz UDMVATGLDJQBRO-AWEZNQCLSA-N 1 2 335.373 3.583 20 0 EHADLO Cc1cccc2c1CC[C@H]([N@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001171571176 1137498711 /nfs/dbraw/zinc/49/87/11/1137498711.db2.gz UDMVATGLDJQBRO-AWEZNQCLSA-N 1 2 335.373 3.583 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC3CCC4(CC4)CC3)CC2)cs1 ZINC000870799122 1137510398 /nfs/dbraw/zinc/51/03/98/1137510398.db2.gz UTBGVUDZRYCSKX-UHFFFAOYSA-N 1 2 348.512 3.930 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCc4ccc(C)cc4C3)n2)ccc1C ZINC001171815279 1137514903 /nfs/dbraw/zinc/51/49/03/1137514903.db2.gz KAZHGOZJWOKAER-UHFFFAOYSA-N 1 2 349.434 3.920 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCc4ccc(C)cc4C3)n2)ccc1C ZINC001171815279 1137514904 /nfs/dbraw/zinc/51/49/04/1137514904.db2.gz KAZHGOZJWOKAER-UHFFFAOYSA-N 1 2 349.434 3.920 20 0 EHADLO COC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959648 1137519371 /nfs/dbraw/zinc/51/93/71/1137519371.db2.gz DDVCKMRZVWLLLQ-FZMZJTMJSA-N 1 2 349.418 3.521 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000871081650 1137522045 /nfs/dbraw/zinc/52/20/45/1137522045.db2.gz XHGANRHVMDSMKY-JXFKEZNVSA-N 1 2 325.456 3.521 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000871081650 1137522046 /nfs/dbraw/zinc/52/20/46/1137522046.db2.gz XHGANRHVMDSMKY-JXFKEZNVSA-N 1 2 325.456 3.521 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CCC1 ZINC000871570190 1137546302 /nfs/dbraw/zinc/54/63/02/1137546302.db2.gz JPSPSBLGOJKKFH-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172319378 1137546738 /nfs/dbraw/zinc/54/67/38/1137546738.db2.gz QCSPACVQOLAXEO-CKEIUWERSA-N 1 2 341.879 3.607 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172361951 1137554719 /nfs/dbraw/zinc/55/47/19/1137554719.db2.gz PTGJWSSXDVIHJM-UGUYLWEFSA-N 1 2 327.509 3.926 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)O1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000888591803 1137564300 /nfs/dbraw/zinc/56/43/00/1137564300.db2.gz HEWCSROIKCWRBQ-CQSZACIVSA-N 1 2 345.830 3.956 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000872056330 1137568444 /nfs/dbraw/zinc/56/84/44/1137568444.db2.gz PZOJFCRVCRYILS-APWZRJJASA-N 1 2 332.488 3.653 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)CCO1 ZINC000872056330 1137568445 /nfs/dbraw/zinc/56/84/45/1137568445.db2.gz PZOJFCRVCRYILS-APWZRJJASA-N 1 2 332.488 3.653 20 0 EHADLO Cc1cc([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1N1CCOCC1 ZINC000872061625 1137568961 /nfs/dbraw/zinc/56/89/61/1137568961.db2.gz ZZJLZEVUDDSMMQ-PKOBYXMFSA-N 1 2 332.488 3.837 20 0 EHADLO Cc1cnc(C[NH2+]Cc2c(C)ccc(Br)c2F)s1 ZINC000873062887 1137589173 /nfs/dbraw/zinc/58/91/73/1137589173.db2.gz DBPPCXWCULLWTM-UHFFFAOYSA-N 1 2 329.238 3.951 20 0 EHADLO CCOc1cccc(F)c1C[NH2+][C@@H]1CCOc2cc(OC)ccc21 ZINC000873061289 1137589271 /nfs/dbraw/zinc/58/92/71/1137589271.db2.gz IABOXFVFQQIQNM-QGZVFWFLSA-N 1 2 331.387 3.846 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578631 1137603352 /nfs/dbraw/zinc/60/33/52/1137603352.db2.gz RWXBBVIPWSROSQ-ROUUACIJSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578631 1137603353 /nfs/dbraw/zinc/60/33/53/1137603353.db2.gz RWXBBVIPWSROSQ-ROUUACIJSA-N 1 2 331.456 3.714 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873829763 1137607134 /nfs/dbraw/zinc/60/71/34/1137607134.db2.gz XBRCNZVZASSNMG-CHWSQXEVSA-N 1 2 331.466 3.631 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873829763 1137607135 /nfs/dbraw/zinc/60/71/35/1137607135.db2.gz XBRCNZVZASSNMG-CHWSQXEVSA-N 1 2 331.466 3.631 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000874323504 1137613109 /nfs/dbraw/zinc/61/31/09/1137613109.db2.gz ACXPDDPOAFTSQF-VLIAUNLRSA-N 1 2 341.430 3.623 20 0 EHADLO CC(C)C[C@@H](C(=O)Oc1cccc(NC(=O)C(C)C)c1)n1cc[nH+]c1 ZINC000874469796 1137614630 /nfs/dbraw/zinc/61/46/30/1137614630.db2.gz HDIRAQFPIPYCJD-KRWDZBQOSA-N 1 2 343.427 3.670 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893265 1137625759 /nfs/dbraw/zinc/62/57/59/1137625759.db2.gz PYAYIECUGLVBSB-COLJXDCZSA-N 1 2 342.389 3.541 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896699 1137625797 /nfs/dbraw/zinc/62/57/97/1137625797.db2.gz PPHMQSOQUBUKMS-MRXNPFEDSA-N 1 2 334.341 3.550 20 0 EHADLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cnn(C(C)C)c2)c1 ZINC001137083028 1137626853 /nfs/dbraw/zinc/62/68/53/1137626853.db2.gz YBAJSCFUOAJZQS-SFHVURJKSA-N 1 2 331.485 3.763 20 0 EHADLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2cnn(C(C)C)c2)c1 ZINC001137083028 1137626854 /nfs/dbraw/zinc/62/68/54/1137626854.db2.gz YBAJSCFUOAJZQS-SFHVURJKSA-N 1 2 331.485 3.763 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000875905111 1137640518 /nfs/dbraw/zinc/64/05/18/1137640518.db2.gz VGRVZIIDEUFMHY-WBVHZDCISA-N 1 2 344.846 3.571 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cccc(CNC(=O)OC(C)(C)C)c2)no1 ZINC000876598754 1137656692 /nfs/dbraw/zinc/65/66/92/1137656692.db2.gz YURMQKWGMVFKTN-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cccc(CNC(=O)OC(C)(C)C)c2)no1 ZINC000876598754 1137656693 /nfs/dbraw/zinc/65/66/93/1137656693.db2.gz YURMQKWGMVFKTN-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO Fc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1OC(F)(F)F ZINC000876650919 1137658119 /nfs/dbraw/zinc/65/81/19/1137658119.db2.gz KBPDNTRSHKWCKI-UHFFFAOYSA-N 1 2 343.324 3.758 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cc(C(=O)NC3CC3)ccc2C)c1C ZINC000876843210 1137663504 /nfs/dbraw/zinc/66/35/04/1137663504.db2.gz QQLMIVVQDQRNGK-UHFFFAOYSA-N 1 2 339.439 3.520 20 0 EHADLO CCO[P@](C)(=O)CC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000877116246 1137670614 /nfs/dbraw/zinc/67/06/14/1137670614.db2.gz TUMYWWBDUSVZEC-FPTDNZKUSA-N 1 2 325.393 3.817 20 0 EHADLO Cc1noc(C2(C)CC[NH+](Cc3c(Cl)cncc3Cl)CC2)n1 ZINC000877189182 1137672562 /nfs/dbraw/zinc/67/25/62/1137672562.db2.gz KWYGMSIVLUAQSV-UHFFFAOYSA-N 1 2 341.242 3.634 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C(=O)NCC(C)C)cc2)c1C ZINC000877494163 1137678572 /nfs/dbraw/zinc/67/85/72/1137678572.db2.gz LLFHIDMQZMXGGK-UHFFFAOYSA-N 1 2 341.455 3.705 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H](C)[S@]1=O ZINC000877516064 1137679117 /nfs/dbraw/zinc/67/91/17/1137679117.db2.gz BLFJXUGOLBBELD-WOOQEGAKSA-N 1 2 342.917 3.681 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H](C)[S@]1=O ZINC000877516064 1137679118 /nfs/dbraw/zinc/67/91/18/1137679118.db2.gz BLFJXUGOLBBELD-WOOQEGAKSA-N 1 2 342.917 3.681 20 0 EHADLO Cn1ncc2cc(C[N@@H+]3CCc4cccc(C(F)(F)F)c4C3)cnc21 ZINC000877656964 1137684601 /nfs/dbraw/zinc/68/46/01/1137684601.db2.gz CXQIYMVPKGARCL-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO Cn1ncc2cc(C[N@H+]3CCc4cccc(C(F)(F)F)c4C3)cnc21 ZINC000877656964 1137684602 /nfs/dbraw/zinc/68/46/02/1137684602.db2.gz CXQIYMVPKGARCL-UHFFFAOYSA-N 1 2 346.356 3.545 20 0 EHADLO O=C1CC2(C[NH+](Cc3ccc(C(F)F)cc3)C2)N1Cc1ccccc1 ZINC000877717120 1137686771 /nfs/dbraw/zinc/68/67/71/1137686771.db2.gz AKFWGKHMBFALRO-UHFFFAOYSA-N 1 2 342.389 3.611 20 0 EHADLO Cc1ccc(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000877780237 1137689356 /nfs/dbraw/zinc/68/93/56/1137689356.db2.gz XLJRTFNNOYYKHX-UHFFFAOYSA-N 1 2 349.521 3.803 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cnc(C(C)C)s1)CC2 ZINC000877816561 1137691323 /nfs/dbraw/zinc/69/13/23/1137691323.db2.gz JJTKJHPFHXBSEA-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cnc(C(C)C)s1)CC2 ZINC000877816561 1137691324 /nfs/dbraw/zinc/69/13/24/1137691324.db2.gz JJTKJHPFHXBSEA-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO CCn1c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)nc2ccccc21 ZINC000877822778 1137691892 /nfs/dbraw/zinc/69/18/92/1137691892.db2.gz ILOREBFATFXZDK-SWLSCSKDSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)nc2ccccc21 ZINC000877822778 1137691893 /nfs/dbraw/zinc/69/18/93/1137691893.db2.gz ILOREBFATFXZDK-SWLSCSKDSA-N 1 2 341.377 3.598 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CC[C@@H](C(F)(F)F)O1 ZINC000877824814 1137692248 /nfs/dbraw/zinc/69/22/48/1137692248.db2.gz UWJBBYCCCLYYPH-MFKMUULPSA-N 1 2 334.407 3.564 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@@H](C(F)(F)F)O1 ZINC000877824814 1137692249 /nfs/dbraw/zinc/69/22/49/1137692249.db2.gz UWJBBYCCCLYYPH-MFKMUULPSA-N 1 2 334.407 3.564 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000126770351 1137694583 /nfs/dbraw/zinc/69/45/83/1137694583.db2.gz DHGCJOCSUCSYII-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO O[C@@H](C[N@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000126770351 1137694584 /nfs/dbraw/zinc/69/45/84/1137694584.db2.gz DHGCJOCSUCSYII-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC000877991986 1137698643 /nfs/dbraw/zinc/69/86/43/1137698643.db2.gz QHERRDXRLNSKSU-UHFFFAOYSA-N 1 2 348.434 3.761 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000878137596 1137703982 /nfs/dbraw/zinc/70/39/82/1137703982.db2.gz YVOZMDIONBAIQR-XQQFMLRXSA-N 1 2 326.893 3.801 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000878137596 1137703983 /nfs/dbraw/zinc/70/39/83/1137703983.db2.gz YVOZMDIONBAIQR-XQQFMLRXSA-N 1 2 326.893 3.801 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878157188 1137704967 /nfs/dbraw/zinc/70/49/67/1137704967.db2.gz CHZCXDXNCGWUJJ-MRXNPFEDSA-N 1 2 338.411 3.508 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878157188 1137704968 /nfs/dbraw/zinc/70/49/68/1137704968.db2.gz CHZCXDXNCGWUJJ-MRXNPFEDSA-N 1 2 338.411 3.508 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)c1ccccc1F ZINC000878189765 1137706556 /nfs/dbraw/zinc/70/65/56/1137706556.db2.gz BZKZMWXNNKEYHF-MAUKXSAKSA-N 1 2 345.414 3.970 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)c1ccccc1F ZINC000878189765 1137706557 /nfs/dbraw/zinc/70/65/57/1137706557.db2.gz BZKZMWXNNKEYHF-MAUKXSAKSA-N 1 2 345.414 3.970 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000878198380 1137706763 /nfs/dbraw/zinc/70/67/63/1137706763.db2.gz MZCIUCXFOWJAHP-GOSISDBHSA-N 1 2 339.439 3.607 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000878198380 1137706764 /nfs/dbraw/zinc/70/67/64/1137706764.db2.gz MZCIUCXFOWJAHP-GOSISDBHSA-N 1 2 339.439 3.607 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878301985 1137710415 /nfs/dbraw/zinc/71/04/15/1137710415.db2.gz FQOFYKAAFLBJGX-AWEZNQCLSA-N 1 2 346.500 3.910 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000878301985 1137710416 /nfs/dbraw/zinc/71/04/16/1137710416.db2.gz FQOFYKAAFLBJGX-AWEZNQCLSA-N 1 2 346.500 3.910 20 0 EHADLO Cc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)nc1Cl ZINC000878502483 1137718098 /nfs/dbraw/zinc/71/80/98/1137718098.db2.gz BOUAOVATZRMKCA-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878509608 1137718293 /nfs/dbraw/zinc/71/82/93/1137718293.db2.gz RXKAJMMDWPJDAG-PSLIRLAXSA-N 1 2 342.226 3.701 20 0 EHADLO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601149 1137721705 /nfs/dbraw/zinc/72/17/05/1137721705.db2.gz HJPROTCTTSFEGY-CVEARBPZSA-N 1 2 340.254 3.977 20 0 EHADLO O[C@@H](C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601149 1137721706 /nfs/dbraw/zinc/72/17/06/1137721706.db2.gz HJPROTCTTSFEGY-CVEARBPZSA-N 1 2 340.254 3.977 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878610088 1137722038 /nfs/dbraw/zinc/72/20/38/1137722038.db2.gz BTYTYZLWULXSDX-LBPRGKRZSA-N 1 2 338.860 3.849 20 0 EHADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000878610088 1137722039 /nfs/dbraw/zinc/72/20/39/1137722039.db2.gz BTYTYZLWULXSDX-LBPRGKRZSA-N 1 2 338.860 3.849 20 0 EHADLO CCOc1ccc([C@H](O)C2CC[NH+](CC(F)(F)CC)CC2)cc1 ZINC000878635551 1137723243 /nfs/dbraw/zinc/72/32/43/1137723243.db2.gz YGPDOLLLLQSVQV-KRWDZBQOSA-N 1 2 327.415 3.876 20 0 EHADLO Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000878652684 1137723863 /nfs/dbraw/zinc/72/38/63/1137723863.db2.gz ULRBZGYSUWZFNT-UHFFFAOYSA-N 1 2 334.218 3.862 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997190 1137734683 /nfs/dbraw/zinc/73/46/83/1137734683.db2.gz CCUFUVBQVIKNJR-XHSDSOJGSA-N 1 2 329.362 3.560 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997190 1137734684 /nfs/dbraw/zinc/73/46/84/1137734684.db2.gz CCUFUVBQVIKNJR-XHSDSOJGSA-N 1 2 329.362 3.560 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+](Cc3nccn3CC(F)F)C2)cc1F ZINC000879030863 1137735887 /nfs/dbraw/zinc/73/58/87/1137735887.db2.gz PHCZRYYUWJBDGD-CYBMUJFWSA-N 1 2 341.352 3.806 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+](Cc3nccn3CC(F)F)C2)cc1F ZINC000879030863 1137735888 /nfs/dbraw/zinc/73/58/88/1137735888.db2.gz PHCZRYYUWJBDGD-CYBMUJFWSA-N 1 2 341.352 3.806 20 0 EHADLO Cc1cc2scc(CC(=O)N(C)CCCn3cc[nH+]c3)c2s1 ZINC000879199095 1137740961 /nfs/dbraw/zinc/74/09/61/1137740961.db2.gz RWCPWNGQEMFEMH-UHFFFAOYSA-N 1 2 333.482 3.559 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000879237874 1137741775 /nfs/dbraw/zinc/74/17/75/1137741775.db2.gz QSCXJAOYGZCTPX-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000879237874 1137741776 /nfs/dbraw/zinc/74/17/76/1137741776.db2.gz QSCXJAOYGZCTPX-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO O[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244877 1137742209 /nfs/dbraw/zinc/74/22/09/1137742209.db2.gz UIIAAVQQRFQOPC-MJGOQNOKSA-N 1 2 341.455 3.815 20 0 EHADLO O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244877 1137742210 /nfs/dbraw/zinc/74/22/10/1137742210.db2.gz UIIAAVQQRFQOPC-MJGOQNOKSA-N 1 2 341.455 3.815 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000879605298 1137752216 /nfs/dbraw/zinc/75/22/16/1137752216.db2.gz IVZIPCHCLZGNPR-HKUYNNGSSA-N 1 2 339.439 3.737 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1ccnn1C ZINC000879686203 1137755333 /nfs/dbraw/zinc/75/53/33/1137755333.db2.gz VYINNKZHXZVUEU-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC[C@@](C)(F)C3)ccc21 ZINC000879718267 1137756363 /nfs/dbraw/zinc/75/63/63/1137756363.db2.gz LJYZEBUZOMUANY-GOSISDBHSA-N 1 2 330.407 3.657 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000880105762 1137768362 /nfs/dbraw/zinc/76/83/62/1137768362.db2.gz QTPVTJLQICIDQW-SNVBAGLBSA-N 1 2 336.226 3.590 20 0 EHADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(F)CC1 ZINC000880240855 1137771890 /nfs/dbraw/zinc/77/18/90/1137771890.db2.gz ODIRZVCAPQLOKL-ZDUSSCGKSA-N 1 2 339.480 3.631 20 0 EHADLO Clc1cc(Br)cc(C2([NH2+]Cc3ccno3)CC2)c1 ZINC000880351315 1137775979 /nfs/dbraw/zinc/77/59/79/1137775979.db2.gz QMUPYQKOPRGKIZ-UHFFFAOYSA-N 1 2 327.609 3.869 20 0 EHADLO Cc1cc(Br)ccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880366538 1137776339 /nfs/dbraw/zinc/77/63/39/1137776339.db2.gz ODARJSDOPHHLFP-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO CC[N@H+](Cc1csc(-c2ccco2)n1)[C@@H](CO)c1ccccc1 ZINC000880459023 1137779138 /nfs/dbraw/zinc/77/91/38/1137779138.db2.gz AQDDLMIFQSGWQJ-INIZCTEOSA-N 1 2 328.437 3.959 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@@H](CO)c1ccccc1 ZINC000880459023 1137779139 /nfs/dbraw/zinc/77/91/39/1137779139.db2.gz AQDDLMIFQSGWQJ-INIZCTEOSA-N 1 2 328.437 3.959 20 0 EHADLO CCCc1nc(CN[C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880571000 1137781573 /nfs/dbraw/zinc/78/15/73/1137781573.db2.gz MDEUTWMYNYFSJN-QGZVFWFLSA-N 1 2 326.469 3.823 20 0 EHADLO CC(F)(F)c1c(F)cccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000880738599 1137787668 /nfs/dbraw/zinc/78/76/68/1137787668.db2.gz KUPXNHZASIIZRG-UHFFFAOYSA-N 1 2 338.333 3.566 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000880780030 1137789454 /nfs/dbraw/zinc/78/94/54/1137789454.db2.gz HMYAISSKFVHQSS-UHFFFAOYSA-N 1 2 334.370 3.817 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001137168857 1137816087 /nfs/dbraw/zinc/81/60/87/1137816087.db2.gz RGWQUEFLNPCIKT-UHFFFAOYSA-N 1 2 332.831 3.787 20 0 EHADLO CC(C)(C)c1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)n[nH]1 ZINC001212787884 1137817038 /nfs/dbraw/zinc/81/70/38/1137817038.db2.gz GONPSRRHXTWMQP-UHFFFAOYSA-N 1 2 334.383 3.610 20 0 EHADLO Cc1cnc(C)c(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000881970156 1137818102 /nfs/dbraw/zinc/81/81/02/1137818102.db2.gz OJRWNYBXKSODOG-UHFFFAOYSA-N 1 2 339.468 3.926 20 0 EHADLO Cc1cnc(C)c(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000881970156 1137818103 /nfs/dbraw/zinc/81/81/03/1137818103.db2.gz OJRWNYBXKSODOG-UHFFFAOYSA-N 1 2 339.468 3.926 20 0 EHADLO N=[S@](=O)(c1ccc(NCCCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000882160415 1137822531 /nfs/dbraw/zinc/82/25/31/1137822531.db2.gz PDCFZJRDWYDRMF-QHCPKHFHSA-N 1 2 346.378 3.701 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873414 1137836274 /nfs/dbraw/zinc/83/62/74/1137836274.db2.gz ZRKUIZSITTYKKL-FPOVZHCZSA-N 1 2 345.446 3.861 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000882872953 1137836301 /nfs/dbraw/zinc/83/63/01/1137836301.db2.gz PHFYDUCMHMOPDP-INIZCTEOSA-N 1 2 333.382 3.566 20 0 EHADLO CC(C)c1nc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000882872575 1137836352 /nfs/dbraw/zinc/83/63/52/1137836352.db2.gz IBJJXAVRSKEVCY-OAHLLOKOSA-N 1 2 340.452 3.634 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)cs1 ZINC000883275171 1137852014 /nfs/dbraw/zinc/85/20/14/1137852014.db2.gz JGJLHIMKRXIUAB-NOZJJQNGSA-N 1 2 341.274 3.598 20 0 EHADLO COc1cc(C[NH2+]C2(c3ncccn3)CCC2)cc(C(F)(F)F)c1 ZINC000883304948 1137853581 /nfs/dbraw/zinc/85/35/81/1137853581.db2.gz KUUDETBUMMJFOT-UHFFFAOYSA-N 1 2 337.345 3.673 20 0 EHADLO COCCOc1ccc([C@H](C)Nc2c[nH+]c(C)c(C)c2)cc1OC ZINC000883340873 1137855903 /nfs/dbraw/zinc/85/59/03/1137855903.db2.gz BGQQFYFPJVOCPR-HNNXBMFYSA-N 1 2 330.428 3.905 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[C@@H](C)Nc2c[nH+]c(C)c(C)c2)c1 ZINC000883341553 1137855960 /nfs/dbraw/zinc/85/59/60/1137855960.db2.gz SZEADEGNLIJSDL-CYBMUJFWSA-N 1 2 343.427 3.545 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)cs1 ZINC000883394591 1137859440 /nfs/dbraw/zinc/85/94/40/1137859440.db2.gz DDXLAHSSIQEIPM-MRXNPFEDSA-N 1 2 330.453 3.614 20 0 EHADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000883463298 1137861236 /nfs/dbraw/zinc/86/12/36/1137861236.db2.gz MSCKSDPODZVXKC-HNNXBMFYSA-N 1 2 326.425 3.833 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1cc(Br)ccc1Cl ZINC000132171601 1137863699 /nfs/dbraw/zinc/86/36/99/1137863699.db2.gz WAKAQKWGIQUBSK-UHFFFAOYSA-N 1 2 343.608 3.685 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883622608 1137865645 /nfs/dbraw/zinc/86/56/45/1137865645.db2.gz VIBCUFCOLARBGJ-MAUKXSAKSA-N 1 2 326.444 3.502 20 0 EHADLO Fc1cc(OC(F)F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000282830257 1137865899 /nfs/dbraw/zinc/86/58/99/1137865899.db2.gz BRVXYQXTHZEIIL-UHFFFAOYSA-N 1 2 337.345 3.903 20 0 EHADLO C[N@@H+](Cc1cccc2ccccc21)CN1C(=O)SC(C)(C)C1=O ZINC000132419564 1137865996 /nfs/dbraw/zinc/86/59/96/1137865996.db2.gz DTYRYPADJYJOOY-UHFFFAOYSA-N 1 2 328.437 3.703 20 0 EHADLO C[N@H+](Cc1cccc2ccccc21)CN1C(=O)SC(C)(C)C1=O ZINC000132419564 1137865997 /nfs/dbraw/zinc/86/59/97/1137865997.db2.gz DTYRYPADJYJOOY-UHFFFAOYSA-N 1 2 328.437 3.703 20 0 EHADLO O=C(NC[C@@H]1CCCC12CC2)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883798905 1137870693 /nfs/dbraw/zinc/87/06/93/1137870693.db2.gz TZZWVJZKODNGNN-ROUUACIJSA-N 1 2 338.455 3.504 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)n21 ZINC001137197846 1137873697 /nfs/dbraw/zinc/87/36/97/1137873697.db2.gz PTFYXSVWJZBJMJ-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)n21 ZINC001137197846 1137873698 /nfs/dbraw/zinc/87/36/98/1137873698.db2.gz PTFYXSVWJZBJMJ-HXUWFJFHSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)oc1C ZINC000282872191 1137891926 /nfs/dbraw/zinc/89/19/26/1137891926.db2.gz VFRPMZYTAODHFC-OLZOCXBDSA-N 1 2 325.416 3.797 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000111728488 1137905262 /nfs/dbraw/zinc/90/52/62/1137905262.db2.gz CSRVNWXALQNHEZ-UHFFFAOYSA-N 1 2 348.834 3.804 20 0 EHADLO COCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000112354408 1137907273 /nfs/dbraw/zinc/90/72/73/1137907273.db2.gz SXTCUMIUCZXSPZ-LLVKDONJSA-N 1 2 345.270 3.679 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567824 1137912932 /nfs/dbraw/zinc/91/29/32/1137912932.db2.gz VRMZYJVTVANJHL-GXTWGEPZSA-N 1 2 333.457 3.825 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567824 1137912933 /nfs/dbraw/zinc/91/29/33/1137912933.db2.gz VRMZYJVTVANJHL-GXTWGEPZSA-N 1 2 333.457 3.825 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000114750403 1137918825 /nfs/dbraw/zinc/91/88/25/1137918825.db2.gz LCGLBUVKZDYQAW-QWRGUYRKSA-N 1 2 343.349 3.985 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000348302667 1137921117 /nfs/dbraw/zinc/92/11/17/1137921117.db2.gz CWTXBCWMTYXRLW-CQSZACIVSA-N 1 2 332.513 3.630 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000348302667 1137921118 /nfs/dbraw/zinc/92/11/18/1137921118.db2.gz CWTXBCWMTYXRLW-CQSZACIVSA-N 1 2 332.513 3.630 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000331898170 1137924951 /nfs/dbraw/zinc/92/49/51/1137924951.db2.gz LBHGKJPBNSJCOS-ZDUSSCGKSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000116192524 1137925185 /nfs/dbraw/zinc/92/51/85/1137925185.db2.gz OEJBCZSNZQFBQV-KRWDZBQOSA-N 1 2 325.456 3.892 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332252205 1137937324 /nfs/dbraw/zinc/93/73/24/1137937324.db2.gz AGEWMWQMNWMPBM-UHFFFAOYSA-N 1 2 330.457 3.684 20 0 EHADLO CSc1ccccc1C[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000348314168 1137939414 /nfs/dbraw/zinc/93/94/14/1137939414.db2.gz HLHWBELNMZKOQU-UHFFFAOYSA-N 1 2 349.521 3.704 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000348314168 1137939415 /nfs/dbraw/zinc/93/94/15/1137939415.db2.gz HLHWBELNMZKOQU-UHFFFAOYSA-N 1 2 349.521 3.704 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000121096466 1137955006 /nfs/dbraw/zinc/95/50/06/1137955006.db2.gz ADLMLJCSHAYEBD-AWEZNQCLSA-N 1 2 349.500 3.819 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000121096466 1137955007 /nfs/dbraw/zinc/95/50/07/1137955007.db2.gz ADLMLJCSHAYEBD-AWEZNQCLSA-N 1 2 349.500 3.819 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333178745 1137957412 /nfs/dbraw/zinc/95/74/12/1137957412.db2.gz RUGVIFAGACCFPC-HYVNUMGLSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333178745 1137957413 /nfs/dbraw/zinc/95/74/13/1137957413.db2.gz RUGVIFAGACCFPC-HYVNUMGLSA-N 1 2 330.476 3.658 20 0 EHADLO CC(C)(C)c1csc(CNc2ccccc2C[NH+]2CCOCC2)n1 ZINC000121593904 1137959226 /nfs/dbraw/zinc/95/92/26/1137959226.db2.gz WLPBCTAUNTWDOQ-UHFFFAOYSA-N 1 2 345.512 3.885 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000024152286 1137965661 /nfs/dbraw/zinc/96/56/61/1137965661.db2.gz PFRJIRFXEPACSN-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000024152286 1137965662 /nfs/dbraw/zinc/96/56/62/1137965662.db2.gz PFRJIRFXEPACSN-UHFFFAOYSA-N 1 2 342.251 3.690 20 0 EHADLO CCO[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(C)C ZINC000348332405 1137972745 /nfs/dbraw/zinc/97/27/45/1137972745.db2.gz TZONYUCKSVEEHW-INIZCTEOSA-N 1 2 335.835 3.915 20 0 EHADLO C[C@@H]1CCCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890253070 1138032268 /nfs/dbraw/zinc/03/22/68/1138032268.db2.gz WFICOBUIYKIUNZ-SJLPKXTDSA-N 1 2 326.444 3.599 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000045649419 1138040959 /nfs/dbraw/zinc/04/09/59/1138040959.db2.gz XGGYLSMVDLUPOX-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000045649419 1138040962 /nfs/dbraw/zinc/04/09/62/1138040962.db2.gz XGGYLSMVDLUPOX-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO CCN(C(=O)NCCCn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000055085927 1138053270 /nfs/dbraw/zinc/05/32/70/1138053270.db2.gz DYHALXNUBVOUOR-HNNXBMFYSA-N 1 2 340.427 3.812 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@H]2C ZINC000886162661 1138054240 /nfs/dbraw/zinc/05/42/40/1138054240.db2.gz VIDADBUXFVVWCB-IRXDYDNUSA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](C[C@H](C)COCc1ccccc1)[C@H]2C ZINC000886162661 1138054241 /nfs/dbraw/zinc/05/42/41/1138054241.db2.gz VIDADBUXFVVWCB-IRXDYDNUSA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cccnc2Cl)c1 ZINC000886265637 1138063050 /nfs/dbraw/zinc/06/30/50/1138063050.db2.gz NFRXMTOPCYFOKV-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271122 1138063135 /nfs/dbraw/zinc/06/31/35/1138063135.db2.gz XUWKDRVUEZTLBN-UHFFFAOYSA-N 1 2 327.409 3.981 20 0 EHADLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000060632819 1138067086 /nfs/dbraw/zinc/06/70/86/1138067086.db2.gz CJENTEGYKHFYLR-HNNXBMFYSA-N 1 2 348.830 3.596 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000886439221 1138077686 /nfs/dbraw/zinc/07/76/86/1138077686.db2.gz RTRKGQSCMOUQMQ-KRWDZBQOSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000886439221 1138077689 /nfs/dbraw/zinc/07/76/89/1138077689.db2.gz RTRKGQSCMOUQMQ-KRWDZBQOSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000886438903 1138077823 /nfs/dbraw/zinc/07/78/23/1138077823.db2.gz LEBNEKWZTPAKBP-AWEZNQCLSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000886438903 1138077825 /nfs/dbraw/zinc/07/78/25/1138077825.db2.gz LEBNEKWZTPAKBP-AWEZNQCLSA-N 1 2 325.239 3.862 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccc(F)cn1 ZINC000886680497 1138113461 /nfs/dbraw/zinc/11/34/61/1138113461.db2.gz GDJMFDCJHCKWRR-GFCCVEGCSA-N 1 2 346.406 3.814 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)c1C ZINC000075996396 1138129418 /nfs/dbraw/zinc/12/94/18/1138129418.db2.gz GOOOOOLRUNBMCS-ZDUSSCGKSA-N 1 2 328.378 3.905 20 0 EHADLO C[C@@]1(C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCOC2(CCC2)C1 ZINC000886776980 1138138825 /nfs/dbraw/zinc/13/88/25/1138138825.db2.gz VAYOPYHYAUKIAJ-SJLPKXTDSA-N 1 2 332.492 3.755 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)c4nnc(C)o4)CC3)c2c1 ZINC000079881353 1138159386 /nfs/dbraw/zinc/15/93/86/1138159386.db2.gz SGCWYOYYUBKSPZ-LBPRGKRZSA-N 1 2 338.411 3.718 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)c4nnc(C)o4)CC3)c2c1 ZINC000079881353 1138159387 /nfs/dbraw/zinc/15/93/87/1138159387.db2.gz SGCWYOYYUBKSPZ-LBPRGKRZSA-N 1 2 338.411 3.718 20 0 EHADLO Cc1ccncc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080641534 1138163793 /nfs/dbraw/zinc/16/37/93/1138163793.db2.gz NUTVSLOFICDHCH-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ccncc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000080641534 1138163794 /nfs/dbraw/zinc/16/37/94/1138163794.db2.gz NUTVSLOFICDHCH-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1nc(C)cs1 ZINC000084056414 1138176993 /nfs/dbraw/zinc/17/69/93/1138176993.db2.gz UAZCHCAUVZLMRU-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000089852216 1138206541 /nfs/dbraw/zinc/20/65/41/1138206541.db2.gz BRELMGUQILNAPU-KXBFYZLASA-N 1 2 335.407 3.866 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C)c(C)c1 ZINC000887108333 1138213963 /nfs/dbraw/zinc/21/39/63/1138213963.db2.gz DWMPGIOYJGRZSS-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C)c(C)c1 ZINC000887108333 1138213965 /nfs/dbraw/zinc/21/39/65/1138213965.db2.gz DWMPGIOYJGRZSS-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000090955743 1138214732 /nfs/dbraw/zinc/21/47/32/1138214732.db2.gz KSFHPVMCZHVKBW-YLJYHZDGSA-N 1 2 336.414 3.711 20 0 EHADLO C[C@@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2n1C ZINC000091288380 1138218013 /nfs/dbraw/zinc/21/80/13/1138218013.db2.gz TYBPHRONCGMPCP-KUHUBIRLSA-N 1 2 340.446 3.666 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091704401 1138221058 /nfs/dbraw/zinc/22/10/58/1138221058.db2.gz UPRWVJKUDHIZNB-KRWDZBQOSA-N 1 2 325.456 3.512 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091704401 1138221060 /nfs/dbraw/zinc/22/10/60/1138221060.db2.gz UPRWVJKUDHIZNB-KRWDZBQOSA-N 1 2 325.456 3.512 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012755 1138224100 /nfs/dbraw/zinc/22/41/00/1138224100.db2.gz JKNZNOBDJYLBDA-HNNXBMFYSA-N 1 2 335.883 3.870 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012755 1138224102 /nfs/dbraw/zinc/22/41/02/1138224102.db2.gz JKNZNOBDJYLBDA-HNNXBMFYSA-N 1 2 335.883 3.870 20 0 EHADLO OCc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)o1 ZINC000093005153 1138233245 /nfs/dbraw/zinc/23/32/45/1138233245.db2.gz XUXBVYISSBSILD-KRWDZBQOSA-N 1 2 339.395 3.549 20 0 EHADLO OCc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)o1 ZINC000093005153 1138233247 /nfs/dbraw/zinc/23/32/47/1138233247.db2.gz XUXBVYISSBSILD-KRWDZBQOSA-N 1 2 339.395 3.549 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000092975138 1138233459 /nfs/dbraw/zinc/23/34/59/1138233459.db2.gz PSORCTYTJCGRLL-IBGZPJMESA-N 1 2 337.398 3.789 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000092975138 1138233462 /nfs/dbraw/zinc/23/34/62/1138233462.db2.gz PSORCTYTJCGRLL-IBGZPJMESA-N 1 2 337.398 3.789 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Br)c(OC)s1)c1ccco1 ZINC000121637020 1138247652 /nfs/dbraw/zinc/24/76/52/1138247652.db2.gz HIYOEUSMXMCKIF-NSHDSACASA-N 1 2 346.246 3.590 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(OC)cc3)n2)o1 ZINC000121741728 1138249422 /nfs/dbraw/zinc/24/94/22/1138249422.db2.gz ZEIFETIHFLZNLH-CQSZACIVSA-N 1 2 325.412 3.887 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000123552408 1138271427 /nfs/dbraw/zinc/27/14/27/1138271427.db2.gz ASMWEZRPUVKPMP-SNVBAGLBSA-N 1 2 345.752 3.621 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000333370660 1138282020 /nfs/dbraw/zinc/28/20/20/1138282020.db2.gz WDEIIFODHTVZPB-ZACQAIPSSA-N 1 2 346.519 3.914 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NCC(C)(C)C3CC3)c2)cc[nH+]1 ZINC000887375527 1138289592 /nfs/dbraw/zinc/28/95/92/1138289592.db2.gz VPEFADVMROPMJB-UHFFFAOYSA-N 1 2 338.455 3.563 20 0 EHADLO CCN1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000348418387 1138290620 /nfs/dbraw/zinc/29/06/20/1138290620.db2.gz XGPVVYDZGHGFHF-BLLLJJGKSA-N 1 2 336.842 3.642 20 0 EHADLO CCN1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000348418387 1138290622 /nfs/dbraw/zinc/29/06/22/1138290622.db2.gz XGPVVYDZGHGFHF-BLLLJJGKSA-N 1 2 336.842 3.642 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125414857 1138308300 /nfs/dbraw/zinc/30/83/00/1138308300.db2.gz WWQXPGZWAWUAFL-QAPCUYQASA-N 1 2 325.456 3.904 20 0 EHADLO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000125822763 1138317193 /nfs/dbraw/zinc/31/71/93/1138317193.db2.gz NZYHNQDLYKRPTN-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000126292630 1138328067 /nfs/dbraw/zinc/32/80/67/1138328067.db2.gz KZMMLBGPZREDKH-BGJVTSJYSA-N 1 2 346.434 3.554 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127138559 1138347852 /nfs/dbraw/zinc/34/78/52/1138347852.db2.gz FWLFIFVZCBYPDL-MLGOLLRUSA-N 1 2 332.835 3.960 20 0 EHADLO C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000263736699 1138353383 /nfs/dbraw/zinc/35/33/83/1138353383.db2.gz DOBATYPOKSNLFV-ZDUSSCGKSA-N 1 2 338.411 3.526 20 0 EHADLO C[N@H+](Cc1nnc2n1CCCC2)Cc1ccccc1-c1ccccc1 ZINC000263753477 1138357031 /nfs/dbraw/zinc/35/70/31/1138357031.db2.gz SVCRDUJPHRMJRC-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO C[N@@H+](Cc1nnc2n1CCCC2)Cc1ccccc1-c1ccccc1 ZINC000263753477 1138357033 /nfs/dbraw/zinc/35/70/33/1138357033.db2.gz SVCRDUJPHRMJRC-UHFFFAOYSA-N 1 2 332.451 3.913 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000264101164 1138418854 /nfs/dbraw/zinc/41/88/54/1138418854.db2.gz FNYHOMJUEPDHCN-UHFFFAOYSA-N 1 2 340.471 3.585 20 0 EHADLO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000264104487 1138419528 /nfs/dbraw/zinc/41/95/28/1138419528.db2.gz UPDTVRKUIMPIDB-UHFFFAOYSA-N 1 2 331.847 3.747 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)o1 ZINC000336882971 1138420364 /nfs/dbraw/zinc/42/03/64/1138420364.db2.gz XQCYXPDIWGRRDR-MRXNPFEDSA-N 1 2 336.476 3.522 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000264111572 1138421380 /nfs/dbraw/zinc/42/13/80/1138421380.db2.gz DGLVHVRCECZOJE-UHFFFAOYSA-N 1 2 346.500 3.766 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264185176 1138436985 /nfs/dbraw/zinc/43/69/85/1138436985.db2.gz KZSHZFNAYTVWPQ-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264185176 1138436986 /nfs/dbraw/zinc/43/69/86/1138436986.db2.gz KZSHZFNAYTVWPQ-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc(Cl)o2)c1)[NH+]1CCOCC1 ZINC000264200109 1138441157 /nfs/dbraw/zinc/44/11/57/1138441157.db2.gz HNILXRSIXISJDE-GFCCVEGCSA-N 1 2 334.803 3.579 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)c1OC ZINC000130211290 1138441788 /nfs/dbraw/zinc/44/17/88/1138441788.db2.gz HDCJRNTVGFCBBP-GFCCVEGCSA-N 1 2 332.469 3.890 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264230792 1138449262 /nfs/dbraw/zinc/44/92/62/1138449262.db2.gz LBHZNIJVSWIVPB-CVEARBPZSA-N 1 2 333.476 3.732 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000264235290 1138450541 /nfs/dbraw/zinc/45/05/41/1138450541.db2.gz WGRQHAYAHINRSF-IBGZPJMESA-N 1 2 338.455 3.689 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000337112488 1138468373 /nfs/dbraw/zinc/46/83/73/1138468373.db2.gz OUFYIYINFMXPNL-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000337157516 1138481748 /nfs/dbraw/zinc/48/17/48/1138481748.db2.gz QKVDEFPGRJNNGX-JKSUJKDBSA-N 1 2 331.504 3.998 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264343210 1138482637 /nfs/dbraw/zinc/48/26/37/1138482637.db2.gz ZYICXBYWCXGXFV-SFHVURJKSA-N 1 2 338.455 3.840 20 0 EHADLO CC1(C)CC[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337163927 1138483020 /nfs/dbraw/zinc/48/30/20/1138483020.db2.gz WKVRLUYEDZGHAD-JKSUJKDBSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1cc(C)c(C)c(OCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000337251087 1138508559 /nfs/dbraw/zinc/50/85/59/1138508559.db2.gz KGQVRUNYGUFLCE-UHFFFAOYSA-N 1 2 341.455 3.510 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc([N@H+](C)CC)cc2)cn1 ZINC001212828059 1138542174 /nfs/dbraw/zinc/54/21/74/1138542174.db2.gz BODVCOOQXQANEA-UHFFFAOYSA-N 1 2 326.444 3.763 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc([N@@H+](C)CC)cc2)cn1 ZINC001212828059 1138542176 /nfs/dbraw/zinc/54/21/76/1138542176.db2.gz BODVCOOQXQANEA-UHFFFAOYSA-N 1 2 326.444 3.763 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCCNc3ccccc3)c12 ZINC000337383502 1138551482 /nfs/dbraw/zinc/55/14/82/1138551482.db2.gz GAMRYSFKDVGPMP-UHFFFAOYSA-N 1 2 344.422 3.730 20 0 EHADLO CCc1nnc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)[nH]1 ZINC000337504633 1138588902 /nfs/dbraw/zinc/58/89/02/1138588902.db2.gz YKSHRKCEJRVUDB-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337643569 1138631177 /nfs/dbraw/zinc/63/11/77/1138631177.db2.gz HVIWFMBRAOIPPV-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO COc1ccc2occ(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000337683467 1138642300 /nfs/dbraw/zinc/64/23/00/1138642300.db2.gz ONMJLUVOWMTENO-UHFFFAOYSA-N 1 2 347.374 3.557 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2csc(Br)c2)CC1 ZINC000092824398 1138658465 /nfs/dbraw/zinc/65/84/65/1138658465.db2.gz NPQBRGPVPQTNCC-UHFFFAOYSA-N 1 2 346.290 3.676 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccncc1F ZINC000337815895 1138674847 /nfs/dbraw/zinc/67/48/47/1138674847.db2.gz OJTYEOFBKZGGAT-GFCCVEGCSA-N 1 2 334.358 3.523 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)c1[nH+]cnc2c1cnn2C ZINC000337910569 1138697011 /nfs/dbraw/zinc/69/70/11/1138697011.db2.gz IDDDYUJHJFLGSI-UHFFFAOYSA-N 1 2 333.798 3.572 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000337937631 1138701834 /nfs/dbraw/zinc/70/18/34/1138701834.db2.gz HEBYXYVHOOSFLA-ZANVPECISA-N 1 2 334.210 3.638 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338097666 1138749778 /nfs/dbraw/zinc/74/97/78/1138749778.db2.gz DWSGQDPKUIQLPO-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000338121659 1138757658 /nfs/dbraw/zinc/75/76/58/1138757658.db2.gz YNBVESCFHQXFFB-UHFFFAOYSA-N 1 2 340.814 3.562 20 0 EHADLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000136591475 1138804880 /nfs/dbraw/zinc/80/48/80/1138804880.db2.gz GJOZVBLQYHLTDB-JTQLQIEISA-N 1 2 338.502 3.529 20 0 EHADLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000136591475 1138804882 /nfs/dbraw/zinc/80/48/82/1138804882.db2.gz GJOZVBLQYHLTDB-JTQLQIEISA-N 1 2 338.502 3.529 20 0 EHADLO C[N@H+](CCCO[C@H]1CCCCO1)Cc1nc(C(F)(F)F)cs1 ZINC000338308409 1138827238 /nfs/dbraw/zinc/82/72/38/1138827238.db2.gz CZBZGXRYZJWKGX-ZDUSSCGKSA-N 1 2 338.395 3.527 20 0 EHADLO C[N@@H+](CCCO[C@H]1CCCCO1)Cc1nc(C(F)(F)F)cs1 ZINC000338308409 1138827244 /nfs/dbraw/zinc/82/72/44/1138827244.db2.gz CZBZGXRYZJWKGX-ZDUSSCGKSA-N 1 2 338.395 3.527 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000338311785 1138829007 /nfs/dbraw/zinc/82/90/07/1138829007.db2.gz CPZGNJRKMGTOSW-WMLDXEAASA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000338311785 1138829014 /nfs/dbraw/zinc/82/90/14/1138829014.db2.gz CPZGNJRKMGTOSW-WMLDXEAASA-N 1 2 331.485 3.631 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCOc2ccc3ccccc3c2)[nH]1 ZINC000338327142 1138835515 /nfs/dbraw/zinc/83/55/15/1138835515.db2.gz KKXLTLPOKQJQKC-LJQANCHMSA-N 1 2 336.439 3.872 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCOc2ccc3ccccc3c2)[nH]1 ZINC000338327142 1138835522 /nfs/dbraw/zinc/83/55/22/1138835522.db2.gz KKXLTLPOKQJQKC-LJQANCHMSA-N 1 2 336.439 3.872 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000338410068 1138900462 /nfs/dbraw/zinc/90/04/62/1138900462.db2.gz JIXSUDYUGCJIHK-GOSISDBHSA-N 1 2 344.455 3.686 20 0 EHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000338410068 1138900467 /nfs/dbraw/zinc/90/04/67/1138900467.db2.gz JIXSUDYUGCJIHK-GOSISDBHSA-N 1 2 344.455 3.686 20 0 EHADLO CC(C)C[N@@H+](Cc1noc(C(C)C)n1)C[C@@H](O)c1ccc(F)cc1 ZINC000265449914 1138903006 /nfs/dbraw/zinc/90/30/06/1138903006.db2.gz TXPYRLSSOPGVBM-MRXNPFEDSA-N 1 2 335.423 3.524 20 0 EHADLO CC(C)C[N@H+](Cc1noc(C(C)C)n1)C[C@@H](O)c1ccc(F)cc1 ZINC000265449914 1138903010 /nfs/dbraw/zinc/90/30/10/1138903010.db2.gz TXPYRLSSOPGVBM-MRXNPFEDSA-N 1 2 335.423 3.524 20 0 EHADLO COCCCn1nccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000338441146 1138915921 /nfs/dbraw/zinc/91/59/21/1138915921.db2.gz SLMDYWRKHWGDJA-UHFFFAOYSA-N 1 2 334.272 3.578 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150867077 1138988496 /nfs/dbraw/zinc/98/84/96/1138988496.db2.gz SWVLDKIVFHHTKA-GJZGRUSLSA-N 1 2 349.438 3.638 20 0 EHADLO CC[N@H+](CC(=O)N1CC[C@@H](C(F)(F)F)C1)Cc1ccccc1Cl ZINC000888018973 1139041581 /nfs/dbraw/zinc/04/15/81/1139041581.db2.gz HLPNRADQYFQTMU-CYBMUJFWSA-N 1 2 348.796 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N1CC[C@@H](C(F)(F)F)C1)Cc1ccccc1Cl ZINC000888018973 1139041587 /nfs/dbraw/zinc/04/15/87/1139041587.db2.gz HLPNRADQYFQTMU-CYBMUJFWSA-N 1 2 348.796 3.573 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000151555323 1139042606 /nfs/dbraw/zinc/04/26/06/1139042606.db2.gz LCQQWYYEAUTTHF-IIYDPXPESA-N 1 2 348.397 3.515 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000151677745 1139051787 /nfs/dbraw/zinc/05/17/87/1139051787.db2.gz SBLZKWIEAKEJDN-KEYYUXOJSA-N 1 2 346.862 3.890 20 0 EHADLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000151714950 1139053601 /nfs/dbraw/zinc/05/36/01/1139053601.db2.gz WBEFEXHDJPBILY-LIRRHRJNSA-N 1 2 344.430 3.628 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000152581878 1139098707 /nfs/dbraw/zinc/09/87/07/1139098707.db2.gz CZBJUEKSGDPTGQ-LZLYRXPVSA-N 1 2 326.444 3.545 20 0 EHADLO CC(C)[C@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152597462 1139099477 /nfs/dbraw/zinc/09/94/77/1139099477.db2.gz KZOWBHZXYNWEGQ-OALUTQOASA-N 1 2 337.467 3.606 20 0 EHADLO C[N@H+](CCc1ccccn1)Cc1csc(COc2ccccc2)n1 ZINC000153110151 1139123370 /nfs/dbraw/zinc/12/33/70/1139123370.db2.gz RLFANCKEDPGOKW-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO C[N@@H+](CCc1ccccn1)Cc1csc(COc2ccccc2)n1 ZINC000153110151 1139123373 /nfs/dbraw/zinc/12/33/73/1139123373.db2.gz RLFANCKEDPGOKW-UHFFFAOYSA-N 1 2 339.464 3.792 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000153794819 1139151588 /nfs/dbraw/zinc/15/15/88/1139151588.db2.gz XEQWALIQAIEOAH-IAGOWNOFSA-N 1 2 343.471 3.535 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@@H](C2CC2)C1 ZINC000889546112 1139229655 /nfs/dbraw/zinc/22/96/55/1139229655.db2.gz VIWWAMZQMSQLRW-KZNAEPCWSA-N 1 2 342.487 3.636 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000890261800 1139334108 /nfs/dbraw/zinc/33/41/08/1139334108.db2.gz AVEKRQBMOCCPRF-LJQANCHMSA-N 1 2 340.471 3.989 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCCSC ZINC000174901506 1139449256 /nfs/dbraw/zinc/44/92/56/1139449256.db2.gz AARFTSUGGOSYNC-UHFFFAOYSA-N 1 2 349.544 3.680 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000175036159 1139459065 /nfs/dbraw/zinc/45/90/65/1139459065.db2.gz WCDCRVLXFBVEIB-OAHLLOKOSA-N 1 2 341.455 3.783 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1)c1ccccc1 ZINC000175169978 1139469832 /nfs/dbraw/zinc/46/98/32/1139469832.db2.gz ILJKVNYIHAIYLQ-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1)c1ccccc1 ZINC000175169978 1139469837 /nfs/dbraw/zinc/46/98/37/1139469837.db2.gz ILJKVNYIHAIYLQ-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000175266814 1139477924 /nfs/dbraw/zinc/47/79/24/1139477924.db2.gz RGSSCTVODQFNGG-ZJUUUORDSA-N 1 2 348.497 3.778 20 0 EHADLO COc1ccc([C@@H](C)CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000176258281 1139548165 /nfs/dbraw/zinc/54/81/65/1139548165.db2.gz AWDPOJKIBRAQAE-INIZCTEOSA-N 1 2 341.455 3.592 20 0 EHADLO COC[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C)o1 ZINC000177565595 1139627308 /nfs/dbraw/zinc/62/73/08/1139627308.db2.gz ZRLCVBPETVCPJL-KRWDZBQOSA-N 1 2 345.830 3.904 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCCC[C@H]1c1ccncc1 ZINC000177773886 1139640849 /nfs/dbraw/zinc/64/08/49/1139640849.db2.gz INGRUNRFESPWBW-SFHVURJKSA-N 1 2 349.438 3.556 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000178012605 1139662445 /nfs/dbraw/zinc/66/24/45/1139662445.db2.gz FHLAMDZRYHNBTJ-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000178012605 1139662449 /nfs/dbraw/zinc/66/24/49/1139662449.db2.gz FHLAMDZRYHNBTJ-NHYWBVRUSA-N 1 2 346.254 3.566 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000178687081 1139711980 /nfs/dbraw/zinc/71/19/80/1139711980.db2.gz HCBDXWAILKAJLG-SFHVURJKSA-N 1 2 334.485 3.518 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000178687081 1139711981 /nfs/dbraw/zinc/71/19/81/1139711981.db2.gz HCBDXWAILKAJLG-SFHVURJKSA-N 1 2 334.485 3.518 20 0 EHADLO O=C(C1CCC(F)(F)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000179323981 1139749438 /nfs/dbraw/zinc/74/94/38/1139749438.db2.gz HKKSFWYPNQZPBS-QPJJXVBHSA-N 1 2 348.437 3.670 20 0 EHADLO COc1ccc(F)cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000179376928 1139753418 /nfs/dbraw/zinc/75/34/18/1139753418.db2.gz AJHMTHQXMWCWGH-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(Br)o2)c(C(C)(C)C)n1 ZINC000179681718 1139775059 /nfs/dbraw/zinc/77/50/59/1139775059.db2.gz NMMXCQAURTUTBS-UHFFFAOYSA-N 1 2 340.265 3.705 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(Br)o2)c(C(C)(C)C)n1 ZINC000179681718 1139775064 /nfs/dbraw/zinc/77/50/64/1139775064.db2.gz NMMXCQAURTUTBS-UHFFFAOYSA-N 1 2 340.265 3.705 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1C ZINC000179844105 1139787867 /nfs/dbraw/zinc/78/78/67/1139787867.db2.gz RPLVHSSCHVGYTI-HOTGVXAUSA-N 1 2 342.443 3.614 20 0 EHADLO COCc1noc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)n1 ZINC000180244085 1139821161 /nfs/dbraw/zinc/82/11/61/1139821161.db2.gz OORZSURONQNMMX-SFHVURJKSA-N 1 2 337.423 3.680 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc2c(c1)OCCO2 ZINC000180620129 1139850452 /nfs/dbraw/zinc/85/04/52/1139850452.db2.gz DOLWZLYZSBQAQS-FZMZJTMJSA-N 1 2 329.400 3.520 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000180803554 1139864776 /nfs/dbraw/zinc/86/47/76/1139864776.db2.gz BPGZAFAUTRCMDA-MJGOQNOKSA-N 1 2 341.455 3.586 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000181001609 1139878562 /nfs/dbraw/zinc/87/85/62/1139878562.db2.gz FJEWKGCCIUPFBZ-SJKOYZFVSA-N 1 2 331.847 3.877 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181500570 1139910945 /nfs/dbraw/zinc/91/09/45/1139910945.db2.gz BFVZFALSPFIADC-LBPRGKRZSA-N 1 2 329.400 3.718 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181500570 1139910948 /nfs/dbraw/zinc/91/09/48/1139910948.db2.gz BFVZFALSPFIADC-LBPRGKRZSA-N 1 2 329.400 3.718 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nc(C)cs1 ZINC000182010876 1139945575 /nfs/dbraw/zinc/94/55/75/1139945575.db2.gz ZQFARPGLZKRSLT-KRWDZBQOSA-N 1 2 336.432 3.792 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nc(C)cs1 ZINC000182010900 1139945595 /nfs/dbraw/zinc/94/55/95/1139945595.db2.gz ZQFARPGLZKRSLT-QGZVFWFLSA-N 1 2 336.432 3.792 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@@H](C)c3nc(COC)no3)CC2)cc1 ZINC000182381268 1139968741 /nfs/dbraw/zinc/96/87/41/1139968741.db2.gz RSEQNRGEWPBCAO-AWEZNQCLSA-N 1 2 327.428 3.629 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@@H](C)c3nc(COC)no3)CC2)cc1 ZINC000182381268 1139968746 /nfs/dbraw/zinc/96/87/46/1139968746.db2.gz RSEQNRGEWPBCAO-AWEZNQCLSA-N 1 2 327.428 3.629 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)ccc1[NH+](C)C ZINC000182849267 1139997005 /nfs/dbraw/zinc/99/70/05/1139997005.db2.gz HZPLOHQTGRFWGO-AWEZNQCLSA-N 1 2 347.484 3.606 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182845519 1139997039 /nfs/dbraw/zinc/99/70/39/1139997039.db2.gz ITGHGDQPTFKAFU-CQSZACIVSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182845519 1139997046 /nfs/dbraw/zinc/99/70/46/1139997046.db2.gz ITGHGDQPTFKAFU-CQSZACIVSA-N 1 2 341.381 3.516 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000183093574 1140012553 /nfs/dbraw/zinc/01/25/53/1140012553.db2.gz GKBWVEGKHCZLMM-GFCCVEGCSA-N 1 2 326.366 3.804 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000183097185 1140013070 /nfs/dbraw/zinc/01/30/70/1140013070.db2.gz RERMMBYHPXVMOS-LBPRGKRZSA-N 1 2 342.365 3.684 20 0 EHADLO COc1ccc(NC(=O)C[C@@H](C)Nc2ccc(C)[nH+]c2C)c(OC)c1 ZINC000183186277 1140020120 /nfs/dbraw/zinc/02/01/20/1140020120.db2.gz QYIUUMZIEKDWEQ-CYBMUJFWSA-N 1 2 343.427 3.545 20 0 EHADLO C[C@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000183319593 1140030280 /nfs/dbraw/zinc/03/02/80/1140030280.db2.gz JAWICXTVWISIQA-SJPCQFCGSA-N 1 2 341.455 3.973 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCS2 ZINC000183863671 1140062759 /nfs/dbraw/zinc/06/27/59/1140062759.db2.gz HOJAPWOBOVOWIA-ZDUSSCGKSA-N 1 2 334.876 3.595 20 0 EHADLO Cc1ccnc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000184153415 1140083518 /nfs/dbraw/zinc/08/35/18/1140083518.db2.gz ZMUSNUAEHANRPL-HKUYNNGSSA-N 1 2 347.422 3.637 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184745236 1140118834 /nfs/dbraw/zinc/11/88/34/1140118834.db2.gz KFFOIDCQZGBKKW-QGZVFWFLSA-N 1 2 344.455 3.629 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc(C)o1 ZINC000184767015 1140119289 /nfs/dbraw/zinc/11/92/89/1140119289.db2.gz FDSLTMGJEOUAHP-KRWDZBQOSA-N 1 2 341.407 3.789 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C1CC1 ZINC000184872313 1140123976 /nfs/dbraw/zinc/12/39/76/1140123976.db2.gz NBONVMOQPHALJF-HNNXBMFYSA-N 1 2 341.455 3.639 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)c1C ZINC000189152875 1140323975 /nfs/dbraw/zinc/32/39/75/1140323975.db2.gz NLNSFGFUKIYOHS-LJQANCHMSA-N 1 2 325.456 3.723 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)C(C)C ZINC000189673634 1140358690 /nfs/dbraw/zinc/35/86/90/1140358690.db2.gz GRTWVTPWQIMMOV-DOTOQJQBSA-N 1 2 342.491 3.930 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000190013963 1140378983 /nfs/dbraw/zinc/37/89/83/1140378983.db2.gz QKBRTONUHSOYCD-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000190013963 1140378989 /nfs/dbraw/zinc/37/89/89/1140378989.db2.gz QKBRTONUHSOYCD-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190726660 1140415650 /nfs/dbraw/zinc/41/56/50/1140415650.db2.gz MGLOLUINGIPSOS-ZIAGYGMSSA-N 1 2 345.443 3.878 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190726660 1140415654 /nfs/dbraw/zinc/41/56/54/1140415654.db2.gz MGLOLUINGIPSOS-ZIAGYGMSSA-N 1 2 345.443 3.878 20 0 EHADLO CC(C)C1(C)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000777470249 1140433891 /nfs/dbraw/zinc/43/38/91/1140433891.db2.gz HXINVKOWFMQYJU-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(CC)c1 ZINC000191780086 1140483867 /nfs/dbraw/zinc/48/38/67/1140483867.db2.gz FBGNIHXQNQFIGR-UHFFFAOYSA-N 1 2 328.460 3.952 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000192251022 1140513988 /nfs/dbraw/zinc/51/39/88/1140513988.db2.gz JPXQTAZXWFSPOQ-MRXNPFEDSA-N 1 2 345.462 3.702 20 0 EHADLO CC(C)c1cnc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000192388944 1140527780 /nfs/dbraw/zinc/52/77/80/1140527780.db2.gz CXESYBNWVTVYNU-QWHCGFSZSA-N 1 2 333.461 3.578 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000192513255 1140536068 /nfs/dbraw/zinc/53/60/68/1140536068.db2.gz MXWWKJYGCDAFEJ-OAQYLSRUSA-N 1 2 345.446 3.527 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1c(F)cccc1Br ZINC000192635797 1140541284 /nfs/dbraw/zinc/54/12/84/1140541284.db2.gz JCTCPNRIMKCBSY-UHFFFAOYSA-N 1 2 341.224 3.991 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194163336 1140599937 /nfs/dbraw/zinc/59/99/37/1140599937.db2.gz NNMKXYGWRZEBON-HUYLIWGRSA-N 1 2 342.483 3.671 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H](COCCOC)C3)cc[nH+]c12 ZINC000194721988 1140619968 /nfs/dbraw/zinc/61/99/68/1140619968.db2.gz KOOFVDZTSVCKCR-INIZCTEOSA-N 1 2 344.455 3.513 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266301154 1140665745 /nfs/dbraw/zinc/66/57/45/1140665745.db2.gz RARIXYUKUSBTJF-GDBMZVCRSA-N 1 2 329.419 3.524 20 0 EHADLO Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266891397 1140735048 /nfs/dbraw/zinc/73/50/48/1140735048.db2.gz FJUVQZIXPBOQBE-FQEVSTJZSA-N 1 2 348.450 3.637 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cs1 ZINC000267064953 1140755510 /nfs/dbraw/zinc/75/55/10/1140755510.db2.gz ULKNEDCCHGCRKV-KBXCAEBGSA-N 1 2 346.496 3.796 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267193626 1140766628 /nfs/dbraw/zinc/76/66/28/1140766628.db2.gz ZSTITKXIDCUSBZ-OAHLLOKOSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1cccnc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000267337687 1140779999 /nfs/dbraw/zinc/77/99/99/1140779999.db2.gz JFYZXRKSEMNLLT-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267354377 1140781876 /nfs/dbraw/zinc/78/18/76/1140781876.db2.gz FXDRYYSBNHFVJA-INIZCTEOSA-N 1 2 325.456 3.656 20 0 EHADLO CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267420300 1140789561 /nfs/dbraw/zinc/78/95/61/1140789561.db2.gz RRXGXOGYTBPZST-MSOLQXFVSA-N 1 2 343.496 3.726 20 0 EHADLO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000267518942 1140799517 /nfs/dbraw/zinc/79/95/17/1140799517.db2.gz OOXFCGXMRHHPGV-UHFFFAOYSA-N 1 2 331.460 3.698 20 0 EHADLO C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267863133 1140844491 /nfs/dbraw/zinc/84/44/91/1140844491.db2.gz OOPTZEVCZKHSFU-WTNDLDAUSA-N 1 2 325.412 3.647 20 0 EHADLO COc1coc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1=O ZINC000267902073 1140848704 /nfs/dbraw/zinc/84/87/04/1140848704.db2.gz GHTKXZZWDBPGKX-SFHVURJKSA-N 1 2 338.407 3.857 20 0 EHADLO COc1coc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1=O ZINC000267902073 1140848710 /nfs/dbraw/zinc/84/87/10/1140848710.db2.gz GHTKXZZWDBPGKX-SFHVURJKSA-N 1 2 338.407 3.857 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268342560 1140923076 /nfs/dbraw/zinc/92/30/76/1140923076.db2.gz ANSKJFGHEQKJRW-CRAIPNDOSA-N 1 2 345.874 3.969 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccc2[nH+]1 ZINC000268739081 1140980981 /nfs/dbraw/zinc/98/09/81/1140980981.db2.gz HDLKFVITQRTHSF-QGZVFWFLSA-N 1 2 349.438 3.751 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1OCc1ccccc1)c1nncn1C ZINC000268926296 1141027043 /nfs/dbraw/zinc/02/70/43/1141027043.db2.gz RRUAHJXYXNMJDN-HOTGVXAUSA-N 1 2 336.439 3.806 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000269023172 1141049331 /nfs/dbraw/zinc/04/93/31/1141049331.db2.gz CDGLNPNDXAJDRW-ZDUSSCGKSA-N 1 2 327.457 3.698 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3cccs3)n2)cc1 ZINC000269080820 1141062062 /nfs/dbraw/zinc/06/20/62/1141062062.db2.gz KDRIOXUOAJZHTP-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3cccs3)n2)cc1 ZINC000269080820 1141062071 /nfs/dbraw/zinc/06/20/71/1141062071.db2.gz KDRIOXUOAJZHTP-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO CC(C)[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000269627130 1141128414 /nfs/dbraw/zinc/12/84/14/1141128414.db2.gz UDWCHVANABDGJQ-MRXNPFEDSA-N 1 2 339.361 3.806 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269742997 1141140688 /nfs/dbraw/zinc/14/06/88/1141140688.db2.gz LGWMDSXYLRHNLP-INIZCTEOSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1Br ZINC000270285679 1141201570 /nfs/dbraw/zinc/20/15/70/1141201570.db2.gz YTWJIYOOWRVANF-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCc1nc2sccc2c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000270326896 1141206907 /nfs/dbraw/zinc/20/69/07/1141206907.db2.gz WLNQXGSEIWJVIG-TZMCWYRMSA-N 1 2 327.457 3.538 20 0 EHADLO CC1=CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000270376554 1141214963 /nfs/dbraw/zinc/21/49/63/1141214963.db2.gz VGIXROPWSPAFGW-UHFFFAOYSA-N 1 2 348.244 3.575 20 0 EHADLO CC1=CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000270376554 1141214969 /nfs/dbraw/zinc/21/49/69/1141214969.db2.gz VGIXROPWSPAFGW-UHFFFAOYSA-N 1 2 348.244 3.575 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270393448 1141217706 /nfs/dbraw/zinc/21/77/06/1141217706.db2.gz YBOWNCCUTXMTHR-UHFFFAOYSA-N 1 2 336.439 3.866 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccncc1 ZINC000270986432 1141290375 /nfs/dbraw/zinc/29/03/75/1141290375.db2.gz HKCKBYAACWUYGY-FQEVSTJZSA-N 1 2 343.446 3.556 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccncc1 ZINC000270986432 1141290381 /nfs/dbraw/zinc/29/03/81/1141290381.db2.gz HKCKBYAACWUYGY-FQEVSTJZSA-N 1 2 343.446 3.556 20 0 EHADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](Cc1ccco1)C(C)C ZINC000271061221 1141302450 /nfs/dbraw/zinc/30/24/50/1141302450.db2.gz WYNUMNFBGZEALA-UHFFFAOYSA-N 1 2 345.365 3.673 20 0 EHADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](Cc1ccco1)C(C)C ZINC000271061221 1141302456 /nfs/dbraw/zinc/30/24/56/1141302456.db2.gz WYNUMNFBGZEALA-UHFFFAOYSA-N 1 2 345.365 3.673 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000271115181 1141309401 /nfs/dbraw/zinc/30/94/01/1141309401.db2.gz VSSJCTLFJAFPBG-LJQANCHMSA-N 1 2 345.462 3.968 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000271115181 1141309406 /nfs/dbraw/zinc/30/94/06/1141309406.db2.gz VSSJCTLFJAFPBG-LJQANCHMSA-N 1 2 345.462 3.968 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2ncccc2c1 ZINC000271177695 1141318575 /nfs/dbraw/zinc/31/85/75/1141318575.db2.gz XOUQMWOCJPRULZ-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2ncccc2c1 ZINC000271177695 1141318580 /nfs/dbraw/zinc/31/85/80/1141318580.db2.gz XOUQMWOCJPRULZ-UHFFFAOYSA-N 1 2 334.345 3.626 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000271360274 1141350712 /nfs/dbraw/zinc/35/07/12/1141350712.db2.gz QWFRJPNFSNEXDH-ZDUSSCGKSA-N 1 2 345.516 3.816 20 0 EHADLO CC[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000271439508 1141366922 /nfs/dbraw/zinc/36/69/22/1141366922.db2.gz GEFYCFZZFKBQMW-CVEARBPZSA-N 1 2 349.377 3.510 20 0 EHADLO c1ccc(OC[C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000271674057 1141416323 /nfs/dbraw/zinc/41/63/23/1141416323.db2.gz HAUGEROLIDHYCD-LJQANCHMSA-N 1 2 348.450 3.524 20 0 EHADLO Clc1cccc(Cl)c1CCc1noc(CCn2cc[nH+]c2)n1 ZINC000273854115 1141433555 /nfs/dbraw/zinc/43/35/55/1141433555.db2.gz LLTNSPMPAGUAGE-UHFFFAOYSA-N 1 2 337.210 3.601 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339174532 1141517763 /nfs/dbraw/zinc/51/77/63/1141517763.db2.gz VSIYVIZHGAIFCJ-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncccc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339174532 1141517767 /nfs/dbraw/zinc/51/77/67/1141517767.db2.gz VSIYVIZHGAIFCJ-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCc3c[nH+]cn3C)n2)ccc1F ZINC000339173994 1141517904 /nfs/dbraw/zinc/51/79/04/1141517904.db2.gz NDVGOACJCHCLEF-UHFFFAOYSA-N 1 2 344.415 3.562 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cn(C)nc2C(F)F)cc1 ZINC000274461542 1141535933 /nfs/dbraw/zinc/53/59/33/1141535933.db2.gz HNCGPFJIMCPMOB-HNNXBMFYSA-N 1 2 337.439 3.956 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cn(C)nc2C(F)F)cc1 ZINC000274461542 1141535935 /nfs/dbraw/zinc/53/59/35/1141535935.db2.gz HNCGPFJIMCPMOB-HNNXBMFYSA-N 1 2 337.439 3.956 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1F ZINC000348542616 1141549158 /nfs/dbraw/zinc/54/91/58/1141549158.db2.gz DEZIBZZNXFWODU-AEFFLSMTSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1F ZINC000348542616 1141549160 /nfs/dbraw/zinc/54/91/60/1141549160.db2.gz DEZIBZZNXFWODU-AEFFLSMTSA-N 1 2 349.377 3.605 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000348669513 1141565033 /nfs/dbraw/zinc/56/50/33/1141565033.db2.gz GFTDRKXXPPWQMZ-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000348669513 1141565037 /nfs/dbraw/zinc/56/50/37/1141565037.db2.gz GFTDRKXXPPWQMZ-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348805454 1141582834 /nfs/dbraw/zinc/58/28/34/1141582834.db2.gz SGCUUGPQSHKNHT-YJBOKZPZSA-N 1 2 346.434 3.649 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccnc1)OCO2 ZINC000348897628 1141606055 /nfs/dbraw/zinc/60/60/55/1141606055.db2.gz WGFPGXSNVPIUPO-AWEZNQCLSA-N 1 2 348.349 3.749 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccnc1)OCO2 ZINC000348897628 1141606057 /nfs/dbraw/zinc/60/60/57/1141606057.db2.gz WGFPGXSNVPIUPO-AWEZNQCLSA-N 1 2 348.349 3.749 20 0 EHADLO Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000348917993 1141609346 /nfs/dbraw/zinc/60/93/46/1141609346.db2.gz AROWCDHJCMOVFX-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000348917993 1141609347 /nfs/dbraw/zinc/60/93/47/1141609347.db2.gz AROWCDHJCMOVFX-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO COc1cccc2c(NCc3ncnn3C(C)(C)C)c(C)c[nH+]c12 ZINC000283469690 1141633788 /nfs/dbraw/zinc/63/37/88/1141633788.db2.gz JNJLTQHWCYIWSU-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO Cc1cc(N[C@@H](Cn2ccccc2=O)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000283471949 1141634232 /nfs/dbraw/zinc/63/42/32/1141634232.db2.gz JSFXDOBOFXJWRE-SFHVURJKSA-N 1 2 346.434 3.678 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)Cc1cccc2c1OCCO2 ZINC000068270767 215296133 /nfs/dbraw/zinc/29/61/33/215296133.db2.gz VHCMPJCRJQXJAD-UHFFFAOYSA-N 1 2 326.421 3.700 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)Cc1cccc2c1OCCO2 ZINC000068270767 215296138 /nfs/dbraw/zinc/29/61/38/215296138.db2.gz VHCMPJCRJQXJAD-UHFFFAOYSA-N 1 2 326.421 3.700 20 0 EHADLO Nc1cccc2c1CC[N@H+](Cc1cc(Br)ccc1F)C2 ZINC000038032561 213193903 /nfs/dbraw/zinc/19/39/03/213193903.db2.gz JIYMHTUHYFNRID-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc2c1CC[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC000038032561 213193907 /nfs/dbraw/zinc/19/39/07/213193907.db2.gz JIYMHTUHYFNRID-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO COC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000037972038 213177948 /nfs/dbraw/zinc/17/79/48/213177948.db2.gz GYXKOKDVHHAIBU-AWEZNQCLSA-N 1 2 326.234 3.586 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C\c2cnn(-c3ccccc3)c2)c(C)[nH+]1 ZINC000221564724 241472279 /nfs/dbraw/zinc/47/22/79/241472279.db2.gz BNXUZYAIXMGBMP-KTKRTIGZSA-N 1 2 332.407 3.844 20 0 EHADLO COc1cccc(C2(C(=O)Nc3c[nH+]ccc3OC)CCCC2)c1 ZINC000078575189 217079072 /nfs/dbraw/zinc/07/90/72/217079072.db2.gz LZUPNUJSVRDSTF-UHFFFAOYSA-N 1 2 326.396 3.549 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c(C)[nH+]1 ZINC000097263058 219006954 /nfs/dbraw/zinc/00/69/54/219006954.db2.gz CAKYEFROCWWLMB-APPDUMDISA-N 1 2 337.423 3.854 20 0 EHADLO CC(C)(CO)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000536091930 478240991 /nfs/dbraw/zinc/24/09/91/478240991.db2.gz QWWJLTDUBCTSEU-QGZVFWFLSA-N 1 2 340.471 3.513 20 0 EHADLO CC(C)(CO)[C@H](CNc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000536091930 478240994 /nfs/dbraw/zinc/24/09/94/478240994.db2.gz QWWJLTDUBCTSEU-QGZVFWFLSA-N 1 2 340.471 3.513 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3cccc(Cl)c3)sc2C1 ZINC000041526910 524002871 /nfs/dbraw/zinc/00/28/71/524002871.db2.gz RYGWXZDATJGVHU-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3cccc(Cl)c3)sc2C1 ZINC000041526910 524002879 /nfs/dbraw/zinc/00/28/79/524002879.db2.gz RYGWXZDATJGVHU-UHFFFAOYSA-N 1 2 349.887 3.701 20 0 EHADLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2ccccc2s1 ZINC000031314882 526680163 /nfs/dbraw/zinc/68/01/63/526680163.db2.gz FGMNQNUBEVCNDS-UHFFFAOYSA-N 1 2 337.448 3.827 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000229855603 536611396 /nfs/dbraw/zinc/61/13/96/536611396.db2.gz LFQIFWVTDWQCDI-CLFYSBASSA-N 1 2 326.396 3.676 20 0 EHADLO FC1(c2ccccn2)CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000289262881 564087077 /nfs/dbraw/zinc/08/70/77/564087077.db2.gz DHOBHXXLXWAYFG-UHFFFAOYSA-N 1 2 344.415 3.654 20 0 EHADLO c1csc([C@H]2CCCN2c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000738451077 599258825 /nfs/dbraw/zinc/25/88/25/599258825.db2.gz BNMRTFRPBKBCFI-OAHLLOKOSA-N 1 2 348.435 3.818 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431144 599389974 /nfs/dbraw/zinc/38/99/74/599389974.db2.gz BGKHNFUAFIOOBZ-MRVPVSSYSA-N 1 2 338.198 3.617 20 0 EHADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@]2(CC=CCC2)C1 ZINC000819718471 599556487 /nfs/dbraw/zinc/55/64/87/599556487.db2.gz IODHTBASJJQAPB-HXUWFJFHSA-N 1 2 346.438 3.742 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259585 601638201 /nfs/dbraw/zinc/63/82/01/601638201.db2.gz YNSUNFKKLNRCOJ-RDJZCZTQSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259585 601638204 /nfs/dbraw/zinc/63/82/04/601638204.db2.gz YNSUNFKKLNRCOJ-RDJZCZTQSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259585 601638206 /nfs/dbraw/zinc/63/82/06/601638206.db2.gz YNSUNFKKLNRCOJ-RDJZCZTQSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259585 601638208 /nfs/dbraw/zinc/63/82/08/601638208.db2.gz YNSUNFKKLNRCOJ-RDJZCZTQSA-N 1 2 348.462 3.610 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428931 608156509 /nfs/dbraw/zinc/15/65/09/608156509.db2.gz VPLVAMNVNLIGIB-GFCCVEGCSA-N 1 2 343.381 3.728 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428931 608156510 /nfs/dbraw/zinc/15/65/10/608156510.db2.gz VPLVAMNVNLIGIB-GFCCVEGCSA-N 1 2 343.381 3.728 20 0 EHADLO COc1cc(C)[nH+]c(CS[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826178598 609183704 /nfs/dbraw/zinc/18/37/04/609183704.db2.gz DRNLAMISAJXBPN-LBPRGKRZSA-N 1 2 341.440 3.573 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1[NH+](C)C ZINC000826270777 609350462 /nfs/dbraw/zinc/35/04/62/609350462.db2.gz OTPBTSABXWRNOB-GFCCVEGCSA-N 1 2 340.406 3.553 20 0 EHADLO COc1cc(C)[nH+]c(CSc2cccc(Cl)c2-c2nn[nH]n2)c1 ZINC000826179096 947554244 /nfs/dbraw/zinc/55/42/44/947554244.db2.gz ZEMURYYFKZRCLG-UHFFFAOYSA-N 1 2 347.831 3.524 20 0 EHADLO COc1cc(Nc2ncc(Br)cc2Cl)cc(C)[nH+]1 ZINC001210775624 1018655772 /nfs/dbraw/zinc/65/57/72/1018655772.db2.gz HWTJPAAGWJJXQO-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO COc1ccc(Br)c(C[NH2+][C@@H](C)c2nccs2)c1 ZINC000087788399 1022659521 /nfs/dbraw/zinc/65/95/21/1022659521.db2.gz BFRHIAKFYYCJHZ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000536663946 1032082228 /nfs/dbraw/zinc/08/22/28/1032082228.db2.gz YIBHTFIFJMFZFP-WBVHZDCISA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000536663946 1032082244 /nfs/dbraw/zinc/08/22/44/1032082244.db2.gz YIBHTFIFJMFZFP-WBVHZDCISA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000536663945 1032084101 /nfs/dbraw/zinc/08/41/01/1032084101.db2.gz YIBHTFIFJMFZFP-RDJZCZTQSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000536663945 1032084085 /nfs/dbraw/zinc/08/40/85/1032084085.db2.gz YIBHTFIFJMFZFP-RDJZCZTQSA-N 1 2 348.512 3.964 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OC(F)F ZINC000044590655 1014185722 /nfs/dbraw/zinc/18/57/22/1014185722.db2.gz CXUWGPKJQZTGCW-CQSZACIVSA-N 1 2 338.354 3.930 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OC(F)F ZINC000044590655 1014185726 /nfs/dbraw/zinc/18/57/26/1014185726.db2.gz CXUWGPKJQZTGCW-CQSZACIVSA-N 1 2 338.354 3.930 20 0 EHADLO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCCO2 ZINC000090232778 1014228641 /nfs/dbraw/zinc/22/86/41/1014228641.db2.gz OBRZECUYJQKEMK-HXUWFJFHSA-N 1 2 348.450 3.888 20 0 EHADLO CCCCCn1cc(C[NH2+]Cc2ncc(CSC)s2)c(C)n1 ZINC000339332466 1014231304 /nfs/dbraw/zinc/23/13/04/1014231304.db2.gz KXFOXSWHUKZARY-UHFFFAOYSA-N 1 2 338.546 3.991 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000536666410 1032086666 /nfs/dbraw/zinc/08/66/66/1032086666.db2.gz LOTNBQKRMXTMQH-BDJLRTHQSA-N 1 2 327.346 3.606 20 0 EHADLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000536666410 1032086678 /nfs/dbraw/zinc/08/66/78/1032086678.db2.gz LOTNBQKRMXTMQH-BDJLRTHQSA-N 1 2 327.346 3.606 20 0 EHADLO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000683088676 1014260782 /nfs/dbraw/zinc/26/07/82/1014260782.db2.gz YCDAYPAETJQOIK-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCS[C@H](c4ccccc4)C3)ccn12 ZINC000654807945 1014434431 /nfs/dbraw/zinc/43/44/31/1014434431.db2.gz HIVJAAULBOESDH-KRWDZBQOSA-N 1 2 337.448 3.573 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000547629107 1014447834 /nfs/dbraw/zinc/44/78/34/1014447834.db2.gz ULMOZSVJLKVKMZ-IBGZPJMESA-N 1 2 340.471 3.773 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000510047163 1014474075 /nfs/dbraw/zinc/47/40/75/1014474075.db2.gz FENFQHAWRREYKW-GJYPPUQNSA-N 1 2 325.456 3.734 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000339472429 1014539932 /nfs/dbraw/zinc/53/99/32/1014539932.db2.gz YMOLBQWKMSGEOB-AHRSYUTCSA-N 1 2 345.446 3.693 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339473543 1014541012 /nfs/dbraw/zinc/54/10/12/1014541012.db2.gz LAJXWDGSMOOKAG-DOTOQJQBSA-N 1 2 343.496 3.553 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000092224011 1014574917 /nfs/dbraw/zinc/57/49/17/1014574917.db2.gz KGFOVDDHAHKBQV-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000092224011 1014574922 /nfs/dbraw/zinc/57/49/22/1014574922.db2.gz KGFOVDDHAHKBQV-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO Cc1ccc2cc([C@H](C)Nc3ccc(N(C)CCO)c[nH+]3)oc2c1 ZINC000683159410 1014620287 /nfs/dbraw/zinc/62/02/87/1014620287.db2.gz AUKAJWROXCDXQC-AWEZNQCLSA-N 1 2 325.412 3.738 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000654996474 1014764439 /nfs/dbraw/zinc/76/44/39/1014764439.db2.gz VYCYDLLQJSSQKV-LIRRHRJNSA-N 1 2 349.434 3.875 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000274758686 1014908725 /nfs/dbraw/zinc/90/87/25/1014908725.db2.gz RXGDLQGZPNRRAK-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000274758686 1014908734 /nfs/dbraw/zinc/90/87/34/1014908734.db2.gz RXGDLQGZPNRRAK-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683201742 1014935219 /nfs/dbraw/zinc/93/52/19/1014935219.db2.gz ZDFHFLZPWQCNOF-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195368 1014940718 /nfs/dbraw/zinc/94/07/18/1014940718.db2.gz QSPDMTVTGAWQIZ-UKRRQHHQSA-N 1 2 344.455 3.780 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195368 1014940724 /nfs/dbraw/zinc/94/07/24/1014940724.db2.gz QSPDMTVTGAWQIZ-UKRRQHHQSA-N 1 2 344.455 3.780 20 0 EHADLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000510097753 1015055554 /nfs/dbraw/zinc/05/55/54/1015055554.db2.gz FGXKFMCYJXFGGU-INIZCTEOSA-N 1 2 334.529 3.999 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnn(C(C)C)c1 ZINC000536672831 1032110069 /nfs/dbraw/zinc/11/00/69/1032110069.db2.gz QXHKEJXHRSZLHX-UHFFFAOYSA-N 1 2 348.878 3.968 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnn(C(C)C)c1 ZINC000536672831 1032110075 /nfs/dbraw/zinc/11/00/75/1032110075.db2.gz QXHKEJXHRSZLHX-UHFFFAOYSA-N 1 2 348.878 3.968 20 0 EHADLO CC[C@@H]1c2ccccc2CN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000890615609 1015281261 /nfs/dbraw/zinc/28/12/61/1015281261.db2.gz XZUCBNMPQUYGOP-HUUCEWRRSA-N 1 2 337.345 3.870 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@H](C2CCC2)C1 ZINC000620205324 1125500564 /nfs/dbraw/zinc/50/05/64/1125500564.db2.gz ZHNJKSDPNBOYEC-MOPGFXCFSA-N 1 2 337.467 3.970 20 0 EHADLO CCCCCNC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000404137035 1015437703 /nfs/dbraw/zinc/43/77/03/1015437703.db2.gz DJTGXQDVUWVZLJ-NSHDSACASA-N 1 2 347.322 3.637 20 0 EHADLO CCCCCNC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000404137035 1015437747 /nfs/dbraw/zinc/43/77/47/1015437747.db2.gz DJTGXQDVUWVZLJ-NSHDSACASA-N 1 2 347.322 3.637 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001590603259 990266134 /nfs/dbraw/zinc/26/61/34/990266134.db2.gz WQPLOVOZJCAPFS-BBWFWOEESA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001590603259 990266141 /nfs/dbraw/zinc/26/61/41/990266141.db2.gz WQPLOVOZJCAPFS-BBWFWOEESA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)CCOc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000655407831 1015573729 /nfs/dbraw/zinc/57/37/29/1015573729.db2.gz GYUMRHRZBWSYAU-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000182727989 1032122729 /nfs/dbraw/zinc/12/27/29/1032122729.db2.gz NKULETSBJDBPES-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000182727989 1032122740 /nfs/dbraw/zinc/12/27/40/1032122740.db2.gz NKULETSBJDBPES-UHFFFAOYSA-N 1 2 327.815 3.555 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339781791 1015676308 /nfs/dbraw/zinc/67/63/08/1015676308.db2.gz LVSCOIRMEHEBAJ-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339781791 1015676312 /nfs/dbraw/zinc/67/63/12/1015676312.db2.gz LVSCOIRMEHEBAJ-AWEZNQCLSA-N 1 2 342.414 3.610 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339789403 1015682325 /nfs/dbraw/zinc/68/23/25/1015682325.db2.gz YYTQJQVYCBYCDE-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(F)cccc2C1 ZINC000339789403 1015682334 /nfs/dbraw/zinc/68/23/34/1015682334.db2.gz YYTQJQVYCBYCDE-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000339812741 1015696394 /nfs/dbraw/zinc/69/63/94/1015696394.db2.gz CHDIHSGZXWEYJT-INIZCTEOSA-N 1 2 349.365 3.710 20 0 EHADLO C[C@@H](COCC1CCCCC1)[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000932422706 1015701990 /nfs/dbraw/zinc/70/19/90/1015701990.db2.gz LGFPUSUWHUULMI-JTQLQIEISA-N 1 2 337.411 3.632 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000547751953 1015831797 /nfs/dbraw/zinc/83/17/97/1015831797.db2.gz YWGAOSNEABSSGZ-AEFFLSMTSA-N 1 2 339.439 3.592 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000182780321 1032129473 /nfs/dbraw/zinc/12/94/73/1032129473.db2.gz WJFJLAGVVFAJDI-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CO)cc1 ZINC000182780321 1032129483 /nfs/dbraw/zinc/12/94/83/1032129483.db2.gz WJFJLAGVVFAJDI-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000076952514 1015859811 /nfs/dbraw/zinc/85/98/11/1015859811.db2.gz YLYLJTJKZJDWIG-HNNXBMFYSA-N 1 2 348.878 3.589 20 0 EHADLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000547757099 1015865246 /nfs/dbraw/zinc/86/52/46/1015865246.db2.gz DZZRJYYTICAHEW-CQSZACIVSA-N 1 2 349.438 3.544 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(C2CCCCC2)n1 ZINC000183115245 1032134585 /nfs/dbraw/zinc/13/45/85/1032134585.db2.gz HEVYHKLEQBZTGP-GOSISDBHSA-N 1 2 329.444 3.634 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(C2CCCCC2)n1 ZINC000183115245 1032134592 /nfs/dbraw/zinc/13/45/92/1032134592.db2.gz HEVYHKLEQBZTGP-GOSISDBHSA-N 1 2 329.444 3.634 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1nc(NC(C)C)c(OC)c[nH+]1 ZINC001167110238 1016059231 /nfs/dbraw/zinc/05/92/31/1016059231.db2.gz HVHUCGZMZIZPEL-ZDUSSCGKSA-N 1 2 330.432 3.512 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)cs1 ZINC000547769221 1016084894 /nfs/dbraw/zinc/08/48/94/1016084894.db2.gz NRILZOYUKJSXCD-ZIAGYGMSSA-N 1 2 329.469 3.615 20 0 EHADLO Clc1ccc(-c2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2)cc1 ZINC001167123861 1016190420 /nfs/dbraw/zinc/19/04/20/1016190420.db2.gz LWTFFSPBMIOSBX-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO Cc1nc(N2CCC[C@@H]2c2ccc(Br)cn2)c(C)c(C)[nH+]1 ZINC000413376560 1016289247 /nfs/dbraw/zinc/28/92/47/1016289247.db2.gz NWHQBLTZPZGOPM-OAHLLOKOSA-N 1 2 347.260 3.901 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)c3ccc(Cl)cc3)c2C1 ZINC000340099303 1016300255 /nfs/dbraw/zinc/30/02/55/1016300255.db2.gz LQVWRVPWFFJXGX-UHFFFAOYSA-N 1 2 342.826 3.887 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)c3ccc(Cl)cc3)c2C1 ZINC000340099303 1016300268 /nfs/dbraw/zinc/30/02/68/1016300268.db2.gz LQVWRVPWFFJXGX-UHFFFAOYSA-N 1 2 342.826 3.887 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000090450264 1016301237 /nfs/dbraw/zinc/30/12/37/1016301237.db2.gz SAEJSKHSPMWXHK-QWHCGFSZSA-N 1 2 327.819 3.728 20 0 EHADLO COc1cc(C[NH+]2CC3(C2)CCCO3)c(-c2ccccc2)cc1OC ZINC000628426629 1016600444 /nfs/dbraw/zinc/60/04/44/1016600444.db2.gz BTAFLHGNKNUXSL-UHFFFAOYSA-N 1 2 339.435 3.736 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+](C)[C@H]2CCCc3ccccc32)c1=S ZINC000782926879 1016749608 /nfs/dbraw/zinc/74/96/08/1016749608.db2.gz PFWJCZUUHMMLSW-ZDUSSCGKSA-N 1 2 338.427 3.856 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+](C)[C@H]2CCCc3ccccc32)c1=S ZINC000782926879 1016749616 /nfs/dbraw/zinc/74/96/16/1016749616.db2.gz PFWJCZUUHMMLSW-ZDUSSCGKSA-N 1 2 338.427 3.856 20 0 EHADLO COc1cccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000178844423 1016788939 /nfs/dbraw/zinc/78/89/39/1016788939.db2.gz PJLDHLMDEALNCC-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO C[C@@H](NCc1cn2c([nH+]1)CCCC2)c1nc(C(F)(F)F)cs1 ZINC000343836638 1016789762 /nfs/dbraw/zinc/78/97/62/1016789762.db2.gz CQFGKGPERZOWPL-SECBINFHSA-N 1 2 330.379 3.546 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000890795352 1016888184 /nfs/dbraw/zinc/88/81/84/1016888184.db2.gz ORPSDQUYWMGNLP-UHFFFAOYSA-N 1 2 334.423 3.876 20 0 EHADLO Fc1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001203412710 1016900643 /nfs/dbraw/zinc/90/06/43/1016900643.db2.gz LIJCXGZJYWPUQY-OAHLLOKOSA-N 1 2 332.797 3.785 20 0 EHADLO CCCCOc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121222091 1016968045 /nfs/dbraw/zinc/96/80/45/1016968045.db2.gz FRIAIJHAROPATD-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO CCCCOc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121222091 1016968057 /nfs/dbraw/zinc/96/80/57/1016968057.db2.gz FRIAIJHAROPATD-QGZVFWFLSA-N 1 2 343.471 3.977 20 0 EHADLO Cc1cc([C@@H]([NH2+]Cc2n[nH]cc2Br)C2CC2)ccc1F ZINC000538115801 1032155408 /nfs/dbraw/zinc/15/54/08/1032155408.db2.gz BXACZMIYSBJYSF-HNNXBMFYSA-N 1 2 338.224 3.861 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1c(F)cccc1F ZINC000538130240 1032172402 /nfs/dbraw/zinc/17/24/02/1032172402.db2.gz VQQWNXXUCDGVSP-LBPRGKRZSA-N 1 2 348.418 3.754 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000538158196 1032181547 /nfs/dbraw/zinc/18/15/47/1032181547.db2.gz CHXGFSJILRERDK-UHFFFAOYSA-N 1 2 339.370 3.663 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000299735776 1032194589 /nfs/dbraw/zinc/19/45/89/1032194589.db2.gz MOTWAOUBAWFOCJ-CWIOURORSA-N 1 2 325.431 3.613 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000584359869 1032200554 /nfs/dbraw/zinc/20/05/54/1032200554.db2.gz QCLQKYKXPBPSSJ-KRWDZBQOSA-N 1 2 347.462 3.559 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000584359869 1032200566 /nfs/dbraw/zinc/20/05/66/1032200566.db2.gz QCLQKYKXPBPSSJ-KRWDZBQOSA-N 1 2 347.462 3.559 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183968106 1032219319 /nfs/dbraw/zinc/21/93/19/1032219319.db2.gz HEPYBKUYGGCVIQ-ZDUSSCGKSA-N 1 2 337.395 3.684 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183968106 1032219332 /nfs/dbraw/zinc/21/93/32/1032219332.db2.gz HEPYBKUYGGCVIQ-ZDUSSCGKSA-N 1 2 337.395 3.684 20 0 EHADLO CCOc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc(Cl)c1O ZINC000459508211 1032234336 /nfs/dbraw/zinc/23/43/36/1032234336.db2.gz MMUFUYKAPIQAGK-UHFFFAOYSA-N 1 2 349.862 3.609 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000459523663 1032243789 /nfs/dbraw/zinc/24/37/89/1032243789.db2.gz JIICNRURTXWDJB-CXAGYDPISA-N 1 2 327.827 3.557 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000459523663 1032243795 /nfs/dbraw/zinc/24/37/95/1032243795.db2.gz JIICNRURTXWDJB-CXAGYDPISA-N 1 2 327.827 3.557 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000183949761 1032247345 /nfs/dbraw/zinc/24/73/45/1032247345.db2.gz UHYSKJBQCOQMEU-LLVKDONJSA-N 1 2 335.498 3.614 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000183949761 1032247354 /nfs/dbraw/zinc/24/73/54/1032247354.db2.gz UHYSKJBQCOQMEU-LLVKDONJSA-N 1 2 335.498 3.614 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528414730 1032254316 /nfs/dbraw/zinc/25/43/16/1032254316.db2.gz FESRMWMIPDIAQJ-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343766206 1032281049 /nfs/dbraw/zinc/28/10/49/1032281049.db2.gz OYMZNUZPUUZCBI-UHFFFAOYSA-N 1 2 345.402 3.950 20 0 EHADLO C[C@@H](CC(=O)NCCNc1cccc[nH+]1)Cc1ccc(Cl)cc1 ZINC000536800970 1032281604 /nfs/dbraw/zinc/28/16/04/1032281604.db2.gz MILRGDCWOAVKGA-CQSZACIVSA-N 1 2 331.847 3.532 20 0 EHADLO FC(F)(F)c1csc(C[NH2+]Cc2ccnn2C2CCCC2)n1 ZINC000449166146 1032281785 /nfs/dbraw/zinc/28/17/85/1032281785.db2.gz YVZMAKHQJSMACE-UHFFFAOYSA-N 1 2 330.379 3.763 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cc(F)cc(Br)c2)s1 ZINC000449193885 1032289244 /nfs/dbraw/zinc/28/92/44/1032289244.db2.gz UCIQYLMTZOQJAG-UHFFFAOYSA-N 1 2 344.253 3.853 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(O)c2Br)[C@H]1[C@H]1CCCO1 ZINC000459570107 1032296832 /nfs/dbraw/zinc/29/68/32/1032296832.db2.gz ZVVBXLSDXCJEAY-HIFRSBDPSA-N 1 2 340.261 3.544 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(O)c2Br)[C@H]1[C@H]1CCCO1 ZINC000459570107 1032296843 /nfs/dbraw/zinc/29/68/43/1032296843.db2.gz ZVVBXLSDXCJEAY-HIFRSBDPSA-N 1 2 340.261 3.544 20 0 EHADLO CO[C@H]1Cc2ccccc2N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000459590004 1032311066 /nfs/dbraw/zinc/31/10/66/1032311066.db2.gz YDTQVTUJYFAVAX-INIZCTEOSA-N 1 2 325.412 3.616 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000184637883 1032312982 /nfs/dbraw/zinc/31/29/82/1032312982.db2.gz DCQDOQHQGVMNDT-INIZCTEOSA-N 1 2 345.512 3.809 20 0 EHADLO OCc1ccc(F)c(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000528450759 1032323352 /nfs/dbraw/zinc/32/33/52/1032323352.db2.gz JVZHHOFTTXJDDT-UHFFFAOYSA-N 1 2 333.353 3.886 20 0 EHADLO OCc1ccc(F)c(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000528450759 1032323367 /nfs/dbraw/zinc/32/33/67/1032323367.db2.gz JVZHHOFTTXJDDT-UHFFFAOYSA-N 1 2 333.353 3.886 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc2ccncc21 ZINC000653032293 1032323957 /nfs/dbraw/zinc/32/39/57/1032323957.db2.gz BKNQEUBDCKWFEC-QAQDUYKDSA-N 1 2 346.434 3.783 20 0 EHADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)c2ccccc21 ZINC000184867573 1032328567 /nfs/dbraw/zinc/32/85/67/1032328567.db2.gz OUDJWIFGDMHKFN-CYBMUJFWSA-N 1 2 342.830 3.750 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184888308 1032329098 /nfs/dbraw/zinc/32/90/98/1032329098.db2.gz CMFBSYFFQZHBJQ-OAHLLOKOSA-N 1 2 335.407 3.939 20 0 EHADLO CC(C)COc1ccccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000449219341 1032335792 /nfs/dbraw/zinc/33/57/92/1032335792.db2.gz DEXZHHXYFYWOBT-UHFFFAOYSA-N 1 2 341.455 3.565 20 0 EHADLO Cc1cccn2cc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)nc12 ZINC000449224256 1032342126 /nfs/dbraw/zinc/34/21/26/1032342126.db2.gz LCHVDFYAUPSLNV-AWEZNQCLSA-N 1 2 331.341 3.837 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000459634063 1032348053 /nfs/dbraw/zinc/34/80/53/1032348053.db2.gz HKLHLBYDJMZNJY-UHFFFAOYSA-N 1 2 327.375 3.979 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000081604929 1032351122 /nfs/dbraw/zinc/35/11/22/1032351122.db2.gz LCKDOAKDSKRYRR-SFHVURJKSA-N 1 2 328.843 3.989 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000081604929 1032351136 /nfs/dbraw/zinc/35/11/36/1032351136.db2.gz LCKDOAKDSKRYRR-SFHVURJKSA-N 1 2 328.843 3.989 20 0 EHADLO CCNc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)cc[nH+]1 ZINC000905153232 1032352470 /nfs/dbraw/zinc/35/24/70/1032352470.db2.gz KSHRJKAAZKXWGU-UHFFFAOYSA-N 1 2 338.333 3.854 20 0 EHADLO Cc1oc2ccccc2c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185179015 1032356975 /nfs/dbraw/zinc/35/69/75/1032356975.db2.gz BPHWOTZEECIZDL-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO COCc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1F ZINC000185211872 1032370327 /nfs/dbraw/zinc/37/03/27/1032370327.db2.gz VHCJLFHSNWQEHM-SFHVURJKSA-N 1 2 325.387 3.574 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195214996 1032389419 /nfs/dbraw/zinc/38/94/19/1032389419.db2.gz PSKPEHMROOCZBW-OAHLLOKOSA-N 1 2 341.455 3.732 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000528518023 1032394232 /nfs/dbraw/zinc/39/42/32/1032394232.db2.gz JFKVGCDLFFDBGB-SKDRFNHKSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000528518023 1032394247 /nfs/dbraw/zinc/39/42/47/1032394247.db2.gz JFKVGCDLFFDBGB-SKDRFNHKSA-N 1 2 334.204 3.584 20 0 EHADLO OC1([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)CC1 ZINC000528522567 1032401420 /nfs/dbraw/zinc/40/14/20/1032401420.db2.gz SKLIZCTWPSWJQJ-GFCCVEGCSA-N 1 2 346.215 3.607 20 0 EHADLO OC1([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)CC1 ZINC000528522567 1032401425 /nfs/dbraw/zinc/40/14/25/1032401425.db2.gz SKLIZCTWPSWJQJ-GFCCVEGCSA-N 1 2 346.215 3.607 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccncc1F ZINC000449260878 1032408294 /nfs/dbraw/zinc/40/82/94/1032408294.db2.gz YZCBWNAQTIOLBY-XKQJLSEDSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccncc1F ZINC000449260878 1032408298 /nfs/dbraw/zinc/40/82/98/1032408298.db2.gz YZCBWNAQTIOLBY-XKQJLSEDSA-N 1 2 334.435 3.696 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000084182451 1032418529 /nfs/dbraw/zinc/41/85/29/1032418529.db2.gz XXKWOWYVRXETOP-UHFFFAOYSA-N 1 2 337.876 3.859 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000500916667 1032450323 /nfs/dbraw/zinc/45/03/23/1032450323.db2.gz QTGCFRRSBVZEOT-QGZVFWFLSA-N 1 2 343.471 3.569 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000500916667 1032450328 /nfs/dbraw/zinc/45/03/28/1032450328.db2.gz QTGCFRRSBVZEOT-QGZVFWFLSA-N 1 2 343.471 3.569 20 0 EHADLO CC[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CCN1CC(F)F ZINC000153588153 1032454119 /nfs/dbraw/zinc/45/41/19/1032454119.db2.gz XZESUCIQXJWGCG-GFCCVEGCSA-N 1 2 334.813 3.683 20 0 EHADLO CC[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)CCN1CC(F)F ZINC000153588153 1032454123 /nfs/dbraw/zinc/45/41/23/1032454123.db2.gz XZESUCIQXJWGCG-GFCCVEGCSA-N 1 2 334.813 3.683 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536951075 1032459486 /nfs/dbraw/zinc/45/94/86/1032459486.db2.gz MGVUEFKTWNQFQP-LSDHHAIUSA-N 1 2 341.858 3.712 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536951075 1032459492 /nfs/dbraw/zinc/45/94/92/1032459492.db2.gz MGVUEFKTWNQFQP-LSDHHAIUSA-N 1 2 341.858 3.712 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787679 1032474736 /nfs/dbraw/zinc/47/47/36/1032474736.db2.gz CRDGMTBQAPHGAP-CHWSQXEVSA-N 1 2 342.505 3.650 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787679 1032474739 /nfs/dbraw/zinc/47/47/39/1032474739.db2.gz CRDGMTBQAPHGAP-CHWSQXEVSA-N 1 2 342.505 3.650 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1ccco1 ZINC000459793584 1032478751 /nfs/dbraw/zinc/47/87/51/1032478751.db2.gz LFOINXGOZZXWBP-ZOBUZTSGSA-N 1 2 344.480 3.507 20 0 EHADLO Cc1cc(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1ccco1 ZINC000459793584 1032478760 /nfs/dbraw/zinc/47/87/60/1032478760.db2.gz LFOINXGOZZXWBP-ZOBUZTSGSA-N 1 2 344.480 3.507 20 0 EHADLO C[C@H](C[N@H+](C)[C@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822508 1032490802 /nfs/dbraw/zinc/49/08/02/1032490802.db2.gz HTYXWSPVJLKSFS-ZIAGYGMSSA-N 1 2 345.443 3.707 20 0 EHADLO C[C@H](C[N@@H+](C)[C@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822508 1032490810 /nfs/dbraw/zinc/49/08/10/1032490810.db2.gz HTYXWSPVJLKSFS-ZIAGYGMSSA-N 1 2 345.443 3.707 20 0 EHADLO COc1cc(C[NH2+]C(CF)CF)ccc1OCc1ccc(F)cc1 ZINC000449372021 1032486925 /nfs/dbraw/zinc/48/69/25/1032486925.db2.gz BIDNEHFVBYAKAR-UHFFFAOYSA-N 1 2 339.357 3.811 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cs1)C1CC1 ZINC000449372360 1032487321 /nfs/dbraw/zinc/48/73/21/1032487321.db2.gz GSTSGTRPWJZULG-GFCCVEGCSA-N 1 2 347.459 3.957 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000315507282 1017303254 /nfs/dbraw/zinc/30/32/54/1017303254.db2.gz YUHAAZILBBPPQR-MRVPVSSYSA-N 1 2 325.206 3.610 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C)c(Br)s2)cc1F ZINC000449399936 1032524676 /nfs/dbraw/zinc/52/46/76/1032524676.db2.gz FRVVWCCHTZAWIT-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO Fc1ccc(-c2noc(C[NH2+][C@H](c3ccccn3)C3CCC3)n2)cc1 ZINC000528652935 1032538214 /nfs/dbraw/zinc/53/82/14/1032538214.db2.gz VDCXCYDIZDYFGQ-SFHVURJKSA-N 1 2 338.386 3.902 20 0 EHADLO OC[C@]1(F)C[N@H+](C/C=C\c2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000449431024 1032548308 /nfs/dbraw/zinc/54/83/08/1032548308.db2.gz XBKWVXGLEHJWKC-XMUPKSCWSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@]1(F)C[N@@H+](C/C=C\c2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000449431024 1032548318 /nfs/dbraw/zinc/54/83/18/1032548318.db2.gz XBKWVXGLEHJWKC-XMUPKSCWSA-N 1 2 347.380 3.778 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2ccc(C3CC3)nc2)cs1 ZINC001168109138 1032550333 /nfs/dbraw/zinc/55/03/33/1032550333.db2.gz UIIANZHMTCVIDD-UHFFFAOYSA-N 1 2 348.541 3.822 20 0 EHADLO C[N@H+](Cc1cccc(O)c1Cl)[C@H](CO)c1ccc(Cl)cc1 ZINC000449451399 1032568546 /nfs/dbraw/zinc/56/85/46/1032568546.db2.gz IMDZLAVSLZTHKY-CQSZACIVSA-N 1 2 326.223 3.864 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1Cl)[C@H](CO)c1ccc(Cl)cc1 ZINC000449451399 1032568553 /nfs/dbraw/zinc/56/85/53/1032568553.db2.gz IMDZLAVSLZTHKY-CQSZACIVSA-N 1 2 326.223 3.864 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(Sc2ccccc2)CCCC1 ZINC000597659506 1032595996 /nfs/dbraw/zinc/59/59/96/1032595996.db2.gz NZBISXMPFNPPNR-UHFFFAOYSA-N 1 2 343.496 3.885 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccccc1 ZINC000602081504 1032615948 /nfs/dbraw/zinc/61/59/48/1032615948.db2.gz QRHDHXPAOAGLSH-HNNXBMFYSA-N 1 2 333.391 3.720 20 0 EHADLO CC(C)c1cc(N[C@H](CO)C[C@H](O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000761235071 1032622490 /nfs/dbraw/zinc/62/24/90/1032622490.db2.gz ONSYCVSFZVUSKL-WMZOPIPTSA-N 1 2 343.471 3.620 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCCc4sccc4C3)n2)cc1 ZINC000592982160 1032648519 /nfs/dbraw/zinc/64/85/19/1032648519.db2.gz GDTLGERVYGLAJY-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCCc4sccc4C3)n2)cc1 ZINC000592982160 1032648540 /nfs/dbraw/zinc/64/85/40/1032648540.db2.gz GDTLGERVYGLAJY-UHFFFAOYSA-N 1 2 341.436 3.755 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000547859535 1017109676 /nfs/dbraw/zinc/10/96/76/1017109676.db2.gz XUFVQSLZPWWBEA-UHFFFAOYSA-N 1 2 339.483 3.742 20 0 EHADLO CSCC1(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000593048992 1032681070 /nfs/dbraw/zinc/68/10/70/1032681070.db2.gz OTSCFOPUQLUVTF-OAHLLOKOSA-N 1 2 348.512 3.552 20 0 EHADLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000892723227 1017211632 /nfs/dbraw/zinc/21/16/32/1017211632.db2.gz JMZFLBWKTNMYFD-UHFFFAOYSA-N 1 2 344.484 3.690 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CCCCC1 ZINC000606450091 1032691768 /nfs/dbraw/zinc/69/17/68/1032691768.db2.gz OJNDKIDVDKREGA-HNNXBMFYSA-N 1 2 332.463 3.926 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CCCCC1 ZINC000606450091 1032691775 /nfs/dbraw/zinc/69/17/75/1032691775.db2.gz OJNDKIDVDKREGA-HNNXBMFYSA-N 1 2 332.463 3.926 20 0 EHADLO CC1(C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1c1cccs1 ZINC000377142189 1017365819 /nfs/dbraw/zinc/36/58/19/1017365819.db2.gz ZJMIZBJQBWIGTO-INIZCTEOSA-N 1 2 338.436 3.552 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450502 1032693615 /nfs/dbraw/zinc/69/36/15/1032693615.db2.gz CZHTUDAVIIXOOW-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000606450502 1032693621 /nfs/dbraw/zinc/69/36/21/1032693621.db2.gz CZHTUDAVIIXOOW-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655689332 1017390446 /nfs/dbraw/zinc/39/04/46/1017390446.db2.gz AAAFURCOCQSAMG-QGZVFWFLSA-N 1 2 338.386 3.834 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000430440227 1017401758 /nfs/dbraw/zinc/40/17/58/1017401758.db2.gz SDKLIZFLDYXOTE-INIZCTEOSA-N 1 2 325.456 3.612 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450756 1032694235 /nfs/dbraw/zinc/69/42/35/1032694235.db2.gz QAMFZZGPVUTCLZ-GJZGRUSLSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450756 1032694245 /nfs/dbraw/zinc/69/42/45/1032694245.db2.gz QAMFZZGPVUTCLZ-GJZGRUSLSA-N 1 2 338.426 3.723 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C(F)F)c1 ZINC000655724111 1017458836 /nfs/dbraw/zinc/45/88/36/1017458836.db2.gz VRSZSQUKZWJIOI-QRTARXTBSA-N 1 2 327.415 3.921 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000121494462 1017461471 /nfs/dbraw/zinc/46/14/71/1017461471.db2.gz NFVMUJRVMOOWQH-IRXDYDNUSA-N 1 2 340.471 3.509 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000377226250 1017491223 /nfs/dbraw/zinc/49/12/23/1017491223.db2.gz SBFMNOOSVAGKGS-IBGZPJMESA-N 1 2 343.471 3.655 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000377226250 1017491231 /nfs/dbraw/zinc/49/12/31/1017491231.db2.gz SBFMNOOSVAGKGS-IBGZPJMESA-N 1 2 343.471 3.655 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794584 1032706040 /nfs/dbraw/zinc/70/60/40/1032706040.db2.gz BCHDOTDJPHQJGA-HOTGVXAUSA-N 1 2 347.459 3.514 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794584 1032706056 /nfs/dbraw/zinc/70/60/56/1032706056.db2.gz BCHDOTDJPHQJGA-HOTGVXAUSA-N 1 2 347.459 3.514 20 0 EHADLO Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2cc3n(n2)CCCC3)c(C)c1 ZINC000655751757 1017535050 /nfs/dbraw/zinc/53/50/50/1017535050.db2.gz DYXMIRUQAJFLHK-NRFANRHFSA-N 1 2 349.482 3.564 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1coc(C(F)F)c1 ZINC000625354551 1017578816 /nfs/dbraw/zinc/57/88/16/1017578816.db2.gz STMGLAAXKZMRHD-UHFFFAOYSA-N 1 2 349.381 3.923 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)o1 ZINC000528737886 1032710299 /nfs/dbraw/zinc/71/02/99/1032710299.db2.gz YNQUJVLDUUYAMP-LJQANCHMSA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)o1 ZINC000528737886 1032710314 /nfs/dbraw/zinc/71/03/14/1032710314.db2.gz YNQUJVLDUUYAMP-LJQANCHMSA-N 1 2 327.428 3.553 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794566 1017624610 /nfs/dbraw/zinc/62/46/10/1017624610.db2.gz PDZWHQFXJATJER-HOCLYGCPSA-N 1 2 328.460 3.502 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655794029 1017625310 /nfs/dbraw/zinc/62/53/10/1017625310.db2.gz HITBYKZENWBZIF-GVDBMIGSSA-N 1 2 326.444 3.630 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655798537 1017635853 /nfs/dbraw/zinc/63/58/53/1017635853.db2.gz XJDSDLIMQNABLY-RHSMWYFYSA-N 1 2 344.459 3.686 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000377375800 1017709909 /nfs/dbraw/zinc/70/99/09/1017709909.db2.gz WVWGXSULBPMORX-QGZVFWFLSA-N 1 2 343.477 3.571 20 0 EHADLO Clc1ccc2[nH]cc(C[NH+]3CCN(c4nccs4)CC3)c2c1 ZINC001137708001 1017728106 /nfs/dbraw/zinc/72/81/06/1017728106.db2.gz DBEJNNWKMDFZTJ-UHFFFAOYSA-N 1 2 332.860 3.600 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000377397663 1017740010 /nfs/dbraw/zinc/74/00/10/1017740010.db2.gz KOYYHKQTDJNHPX-PIGZYNQJSA-N 1 2 341.411 3.956 20 0 EHADLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1I ZINC001210290223 1017757035 /nfs/dbraw/zinc/75/70/35/1017757035.db2.gz GMTBPXXFDAQJSZ-UHFFFAOYSA-N 1 2 339.180 3.629 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc2c(c1)OCO2 ZINC000537428130 1032727159 /nfs/dbraw/zinc/72/71/59/1032727159.db2.gz UDPITLXRYLTCHU-AWEZNQCLSA-N 1 2 325.412 3.974 20 0 EHADLO CC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000377464227 1017855296 /nfs/dbraw/zinc/85/52/96/1017855296.db2.gz LYFXDKAQYZBBES-GOSISDBHSA-N 1 2 338.455 3.501 20 0 EHADLO Cc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275637896 1017855908 /nfs/dbraw/zinc/85/59/08/1017855908.db2.gz BBQJHBLVJJIZAG-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275637896 1017855930 /nfs/dbraw/zinc/85/59/30/1017855930.db2.gz BBQJHBLVJJIZAG-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000340449367 1017870223 /nfs/dbraw/zinc/87/02/23/1017870223.db2.gz UUDFOVPFBJEAAH-VXGBXAGGSA-N 1 2 334.366 3.651 20 0 EHADLO Cc1n[nH]c(C)c1CCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000377475352 1017873592 /nfs/dbraw/zinc/87/35/92/1017873592.db2.gz WVUMTZDCDQPGLQ-UHFFFAOYSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1csc(C(F)(F)F)c1 ZINC000924614913 1017938246 /nfs/dbraw/zinc/93/82/46/1017938246.db2.gz LENOALZUMKVTRO-ZANVPECISA-N 1 2 328.359 3.644 20 0 EHADLO c1cc2c(cccc2N2CC[NH+](Cc3nc4ccccc4o3)CC2)[nH]1 ZINC000528760776 1032731654 /nfs/dbraw/zinc/73/16/54/1032731654.db2.gz CEMISQDEURSPCU-UHFFFAOYSA-N 1 2 332.407 3.631 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000255070657 1018024084 /nfs/dbraw/zinc/02/40/84/1018024084.db2.gz SWDBIRCFKCPERF-GTBONMDNSA-N 1 2 349.356 3.686 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)on1 ZINC000047273580 1018089559 /nfs/dbraw/zinc/08/95/59/1018089559.db2.gz PRKPXTCPIWFMFB-BBRMVZONSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)on1 ZINC000047273580 1018089574 /nfs/dbraw/zinc/08/95/74/1018089574.db2.gz PRKPXTCPIWFMFB-BBRMVZONSA-N 1 2 347.846 3.651 20 0 EHADLO COc1ccc(-c2nc(COc3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC000530956849 1018135776 /nfs/dbraw/zinc/13/57/76/1018135776.db2.gz DHUOIAPBNMUGOH-UHFFFAOYSA-N 1 2 348.362 3.510 20 0 EHADLO Cc1sc(C(=O)N2CC[NH+](C3CC3)CC2)cc1-c1ccc(F)cc1 ZINC000087205514 1018216198 /nfs/dbraw/zinc/21/61/98/1018216198.db2.gz BZBQMJHHVWTKSF-UHFFFAOYSA-N 1 2 344.455 3.783 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1F ZINC000625402108 1018221533 /nfs/dbraw/zinc/22/15/33/1018221533.db2.gz FEHHALUFFAYRGQ-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1F ZINC000625402108 1018221547 /nfs/dbraw/zinc/22/15/47/1018221547.db2.gz FEHHALUFFAYRGQ-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3sccc3Br)cn2c1 ZINC000556387924 1018242303 /nfs/dbraw/zinc/24/23/03/1018242303.db2.gz YCACEWRVKORQMT-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc2cc[nH]c21 ZINC000460659713 1018281423 /nfs/dbraw/zinc/28/14/23/1018281423.db2.gz XCVNSDZZQGJRHM-UHFFFAOYSA-N 1 2 348.450 3.978 20 0 EHADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377759360 1018325225 /nfs/dbraw/zinc/32/52/25/1018325225.db2.gz GFOQRMIGYIGCSL-VIFPVBQESA-N 1 2 341.745 3.723 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001143499878 1018325854 /nfs/dbraw/zinc/32/58/54/1018325854.db2.gz SNDFOCKQQOJAOZ-AWEZNQCLSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001143499878 1018325867 /nfs/dbraw/zinc/32/58/67/1018325867.db2.gz SNDFOCKQQOJAOZ-AWEZNQCLSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001143499888 1018326225 /nfs/dbraw/zinc/32/62/25/1018326225.db2.gz SULFGANPWMSGAG-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001143499888 1018326239 /nfs/dbraw/zinc/32/62/39/1018326239.db2.gz SULFGANPWMSGAG-OAHLLOKOSA-N 1 2 348.393 3.802 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(C)[nH+]1 ZINC000924087876 1018389101 /nfs/dbraw/zinc/38/91/01/1018389101.db2.gz OBYDFJPJKWPREH-BBRMVZONSA-N 1 2 326.362 3.811 20 0 EHADLO CC1(C)CN(C(=O)Nc2ccn3cc[nH+]c3c2)Cc2ccccc2O1 ZINC000377810988 1018408411 /nfs/dbraw/zinc/40/84/11/1018408411.db2.gz HUAFPKSNOIJEBS-UHFFFAOYSA-N 1 2 336.395 3.539 20 0 EHADLO COCC[N@@H+](Cc1csc(Br)c1)Cc1ccco1 ZINC000047719035 1018433991 /nfs/dbraw/zinc/43/39/91/1018433991.db2.gz VIGFCQIRNOMQOS-UHFFFAOYSA-N 1 2 330.247 3.752 20 0 EHADLO COCC[N@H+](Cc1csc(Br)c1)Cc1ccco1 ZINC000047719035 1018434006 /nfs/dbraw/zinc/43/40/06/1018434006.db2.gz VIGFCQIRNOMQOS-UHFFFAOYSA-N 1 2 330.247 3.752 20 0 EHADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583366 1032768490 /nfs/dbraw/zinc/76/84/90/1032768490.db2.gz YNRSSCKIYJOLAY-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO CCn1cc(C[NH2+]Cc2ccc(C)cc2O[C@H](C)CC(C)C)nn1 ZINC000893110628 1018529798 /nfs/dbraw/zinc/52/97/98/1018529798.db2.gz NWSLCQQXAQKEHA-MRXNPFEDSA-N 1 2 330.476 3.710 20 0 EHADLO CCOc1cccc2c1OCC(C(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)=C2 ZINC000340576540 1018564606 /nfs/dbraw/zinc/56/46/06/1018564606.db2.gz IFMWNAUOOVZYIE-UHFFFAOYSA-N 1 2 349.390 3.685 20 0 EHADLO Cc1nc(C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)co1 ZINC000659873144 1018579997 /nfs/dbraw/zinc/57/99/97/1018579997.db2.gz GHFNIVVELJKWED-QGZVFWFLSA-N 1 2 345.830 3.584 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccccc3Cl)ccc2[nH+]1 ZINC000340595751 1018602917 /nfs/dbraw/zinc/60/29/17/1018602917.db2.gz XEAKBDSKVFPSSU-UHFFFAOYSA-N 1 2 328.803 3.960 20 0 EHADLO CCOC(=O)c1cnc2c(cccc2Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001210780240 1018670713 /nfs/dbraw/zinc/67/07/13/1018670713.db2.gz GMCKBCPCCSFQFB-UHFFFAOYSA-N 1 2 337.379 3.867 20 0 EHADLO Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)c2ccccc12 ZINC000580167318 1018733493 /nfs/dbraw/zinc/73/34/93/1018733493.db2.gz QGUITXMSFDVZSY-UHFFFAOYSA-N 1 2 336.439 3.624 20 0 EHADLO CCCc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n[nH]1 ZINC000614352261 1018741096 /nfs/dbraw/zinc/74/10/96/1018741096.db2.gz AAGMPOPJFPGNOI-UHFFFAOYSA-N 1 2 349.438 3.814 20 0 EHADLO CO[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614354385 1018821584 /nfs/dbraw/zinc/82/15/84/1018821584.db2.gz VVYYMQKMLUDITP-GDBMZVCRSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cc(=O)[nH]cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614354786 1018834023 /nfs/dbraw/zinc/83/40/23/1018834023.db2.gz YTMIMBKVBLUDJK-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnc(-c2ccsc2)s1 ZINC000350146277 1018849029 /nfs/dbraw/zinc/84/90/29/1018849029.db2.gz KVHFLURHUHVANC-UHFFFAOYSA-N 1 2 326.406 3.772 20 0 EHADLO CC(C)(C)/C=C\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000255362882 1018990053 /nfs/dbraw/zinc/99/00/53/1018990053.db2.gz VFKYOOZIQFUULK-FPLPWBNLSA-N 1 2 327.428 3.628 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001203396503 1019008845 /nfs/dbraw/zinc/00/88/45/1019008845.db2.gz COABNHPTOFXXCH-AWEZNQCLSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001203396503 1019008863 /nfs/dbraw/zinc/00/88/63/1019008863.db2.gz COABNHPTOFXXCH-AWEZNQCLSA-N 1 2 338.238 3.827 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC(F)(F)C[C@@H]3C)nc(N)c2c1C ZINC000528773806 1032796811 /nfs/dbraw/zinc/79/68/11/1032796811.db2.gz RKLPCZMYEPVNTL-QMMMGPOBSA-N 1 2 326.416 3.510 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC(F)(F)C[C@@H]3C)nc(N)c2c1C ZINC000528773806 1032796819 /nfs/dbraw/zinc/79/68/19/1032796819.db2.gz RKLPCZMYEPVNTL-QMMMGPOBSA-N 1 2 326.416 3.510 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)o1 ZINC000894173799 1019048782 /nfs/dbraw/zinc/04/87/82/1019048782.db2.gz YPQBNOPAOTXNOK-SNVBAGLBSA-N 1 2 325.206 3.687 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(Cc2ccc(F)cc2)CC1 ZINC000275834186 1019052521 /nfs/dbraw/zinc/05/25/21/1019052521.db2.gz SXUPHIPKXRNTKS-UHFFFAOYSA-N 1 2 341.430 3.552 20 0 EHADLO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181255 1019083225 /nfs/dbraw/zinc/08/32/25/1019083225.db2.gz KXPJNLMTUSTWCW-SMDDNHRTSA-N 1 2 333.819 3.752 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](C)C1CCCCC1 ZINC000510321663 1019091829 /nfs/dbraw/zinc/09/18/29/1019091829.db2.gz IJTLOXFSPVVNMG-SOLBZPMBSA-N 1 2 344.503 3.564 20 0 EHADLO CC(=O)NCc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000664158884 1019111880 /nfs/dbraw/zinc/11/18/80/1019111880.db2.gz YEUDDQOGALKLBE-UHFFFAOYSA-N 1 2 340.471 3.972 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449561590 1032811961 /nfs/dbraw/zinc/81/19/61/1032811961.db2.gz DFDRRHLALSJIEK-CYBMUJFWSA-N 1 2 329.835 3.593 20 0 EHADLO CCCOc1c(C[NH2+][C@@H](C)c2nccn2CC)cccc1OCC ZINC000449563723 1032813634 /nfs/dbraw/zinc/81/36/34/1032813634.db2.gz YBVSTKAVOVAWPN-HNNXBMFYSA-N 1 2 331.460 3.941 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000580372608 1019211937 /nfs/dbraw/zinc/21/19/37/1019211937.db2.gz WHSACLYACHOXAL-HZPDHXFCSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000580372608 1019211941 /nfs/dbraw/zinc/21/19/41/1019211941.db2.gz WHSACLYACHOXAL-HZPDHXFCSA-N 1 2 341.398 3.686 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000047891106 1019248363 /nfs/dbraw/zinc/24/83/63/1019248363.db2.gz INMHKDYEIJNDEQ-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO C[C@H](Cc1cnccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000580405483 1019295036 /nfs/dbraw/zinc/29/50/36/1019295036.db2.gz SVBJLAOTXSOHDQ-OAHLLOKOSA-N 1 2 333.439 3.720 20 0 EHADLO CC1(C)CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[S@@]1=O ZINC000449571360 1032825287 /nfs/dbraw/zinc/82/52/87/1032825287.db2.gz JZBSXRJLMGZUGW-QFIPXVFZSA-N 1 2 334.510 3.543 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[S@@]1=O ZINC000449571360 1032825303 /nfs/dbraw/zinc/82/53/03/1032825303.db2.gz JZBSXRJLMGZUGW-QFIPXVFZSA-N 1 2 334.510 3.543 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cncc(SC)c1 ZINC001211071215 1019366882 /nfs/dbraw/zinc/36/68/82/1019366882.db2.gz RATONFUHIDIHBL-UHFFFAOYSA-N 1 2 341.440 3.699 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449573826 1032829182 /nfs/dbraw/zinc/82/91/82/1032829182.db2.gz UEHBOMFPVRTZAP-HSZRJFAPSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449573826 1032829197 /nfs/dbraw/zinc/82/91/97/1032829197.db2.gz UEHBOMFPVRTZAP-HSZRJFAPSA-N 1 2 337.529 3.989 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[S@@]1=O ZINC000449573156 1032830156 /nfs/dbraw/zinc/83/01/56/1032830156.db2.gz QUVSRQKZRXRHRD-QHCPKHFHSA-N 1 2 335.444 3.819 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[S@@]1=O ZINC000449573156 1032830171 /nfs/dbraw/zinc/83/01/71/1032830171.db2.gz QUVSRQKZRXRHRD-QHCPKHFHSA-N 1 2 335.444 3.819 20 0 EHADLO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1nnnn1CC1CC1 ZINC000471585517 1019511568 /nfs/dbraw/zinc/51/15/68/1019511568.db2.gz MRHRYMCIWBTCGJ-ZDUSSCGKSA-N 1 2 339.443 3.551 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1nc(C(F)(F)F)ccc1=O ZINC000178888943 1019518569 /nfs/dbraw/zinc/51/85/69/1019518569.db2.gz GPIIHVCKJRKGLN-MRXNPFEDSA-N 1 2 339.361 3.549 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1nc(C(F)(F)F)ccc1=O ZINC000178888943 1019518591 /nfs/dbraw/zinc/51/85/91/1019518591.db2.gz GPIIHVCKJRKGLN-MRXNPFEDSA-N 1 2 339.361 3.549 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683968826 1019546817 /nfs/dbraw/zinc/54/68/17/1019546817.db2.gz YKLURQZNBXZSCT-CQSZACIVSA-N 1 2 340.354 3.569 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(-c3cccnc3)cc2)[nH+]1 ZINC000433764609 1019592341 /nfs/dbraw/zinc/59/23/41/1019592341.db2.gz FAUJJHVBKCEXKD-CYBMUJFWSA-N 1 2 329.407 3.923 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2nc3ccccc3n2C(F)F)[nH+]1 ZINC000433784607 1019615200 /nfs/dbraw/zinc/61/52/00/1019615200.db2.gz FHUGULOPPSXRTK-VIFPVBQESA-N 1 2 342.353 3.606 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433797380 1019616036 /nfs/dbraw/zinc/61/60/36/1019616036.db2.gz WAMJLOBENOHXSY-MEBBXXQBSA-N 1 2 330.819 3.530 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCc2nc3cc(Cl)ccc3s2)[nH+]1 ZINC000433786644 1019618932 /nfs/dbraw/zinc/61/89/32/1019618932.db2.gz YLFBYCMJMOWDST-UHFFFAOYSA-N 1 2 343.843 3.606 20 0 EHADLO C[C@@H](CCCC(F)(F)F)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000433800489 1019644713 /nfs/dbraw/zinc/64/47/13/1019644713.db2.gz DTZPEHLABAPDHG-NSHDSACASA-N 1 2 334.411 3.563 20 0 EHADLO C[C@@H](CCCC(F)(F)F)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000433800489 1019644720 /nfs/dbraw/zinc/64/47/20/1019644720.db2.gz DTZPEHLABAPDHG-NSHDSACASA-N 1 2 334.411 3.563 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000580568580 1019657943 /nfs/dbraw/zinc/65/79/43/1019657943.db2.gz KNZIKIUAOSGVMN-INIZCTEOSA-N 1 2 345.446 3.840 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000580568580 1019657960 /nfs/dbraw/zinc/65/79/60/1019657960.db2.gz KNZIKIUAOSGVMN-INIZCTEOSA-N 1 2 345.446 3.840 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc2ccccc2o1 ZINC000471611172 1019884666 /nfs/dbraw/zinc/88/46/66/1019884666.db2.gz PDVWEEYZAHUWQL-SFHVURJKSA-N 1 2 339.443 3.706 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(Cl)cc2Cl)c1C ZINC000050449314 1019929391 /nfs/dbraw/zinc/92/93/91/1019929391.db2.gz QTIOQVDGNOPPDT-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO Clc1ccc([C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000434084448 1019934774 /nfs/dbraw/zinc/93/47/74/1019934774.db2.gz JBYTUEGBPABTPP-OAHLLOKOSA-N 1 2 328.847 3.724 20 0 EHADLO Clc1ccc([C@@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000434084448 1019934781 /nfs/dbraw/zinc/93/47/81/1019934781.db2.gz JBYTUEGBPABTPP-OAHLLOKOSA-N 1 2 328.847 3.724 20 0 EHADLO Cc1cc(NCc2ccn(C)n2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000345164979 1020000240 /nfs/dbraw/zinc/00/02/40/1020000240.db2.gz SVBXTOGFEPGNAB-UHFFFAOYSA-N 1 2 336.317 3.787 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCOC(C)(C)C3)c2cc1C(C)C ZINC000030195636 1032872213 /nfs/dbraw/zinc/87/22/13/1032872213.db2.gz PKXAWSGAOUPYHL-UHFFFAOYSA-N 1 2 329.440 3.836 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCOC(C)(C)C3)c2cc1C(C)C ZINC000030195636 1032872228 /nfs/dbraw/zinc/87/22/28/1032872228.db2.gz PKXAWSGAOUPYHL-UHFFFAOYSA-N 1 2 329.440 3.836 20 0 EHADLO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2Br)cn1 ZINC000130021647 1020086642 /nfs/dbraw/zinc/08/66/42/1020086642.db2.gz BVRUPQOXMZCBKM-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2Br)cn1 ZINC000130021647 1020086651 /nfs/dbraw/zinc/08/66/51/1020086651.db2.gz BVRUPQOXMZCBKM-UHFFFAOYSA-N 1 2 334.261 3.542 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000345285306 1020114269 /nfs/dbraw/zinc/11/42/69/1020114269.db2.gz WXEQJHRXQWLEJW-UHFFFAOYSA-N 1 2 348.834 3.756 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000345336600 1020156426 /nfs/dbraw/zinc/15/64/26/1020156426.db2.gz PXONABLOJBKKLX-DLBZAZTESA-N 1 2 325.456 3.764 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c(C)[nH+]1 ZINC000580876376 1020166071 /nfs/dbraw/zinc/16/60/71/1020166071.db2.gz HZHNWCGKNIFKCA-PKOBYXMFSA-N 1 2 339.439 3.906 20 0 EHADLO Brc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc2c1OCO2 ZINC000513690299 1020171152 /nfs/dbraw/zinc/17/11/52/1020171152.db2.gz IDGNTROAGFXBBV-CQSZACIVSA-N 1 2 349.228 3.843 20 0 EHADLO Brc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc2c1OCO2 ZINC000513690299 1020171156 /nfs/dbraw/zinc/17/11/56/1020171156.db2.gz IDGNTROAGFXBBV-CQSZACIVSA-N 1 2 349.228 3.843 20 0 EHADLO Cc1sc2nc(C)nc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1C ZINC000345357017 1020179364 /nfs/dbraw/zinc/17/93/64/1020179364.db2.gz SJMDEHIOZWTXPU-IAQYHMDHSA-N 1 2 341.484 3.901 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345427254 1020242568 /nfs/dbraw/zinc/24/25/68/1020242568.db2.gz XSLOILDZEAFZHS-FXAWDEMLSA-N 1 2 329.488 3.608 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(OC)c2OC(F)F)o1 ZINC000449614260 1032886540 /nfs/dbraw/zinc/88/65/40/1032886540.db2.gz VDYKOGGRMCGTQR-UHFFFAOYSA-N 1 2 326.343 3.527 20 0 EHADLO CO[C@@H]1CCOc2c(NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000684114301 1020256769 /nfs/dbraw/zinc/25/67/69/1020256769.db2.gz UJQRMDULEGJGJJ-LJQANCHMSA-N 1 2 335.407 3.954 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155924762 1020268763 /nfs/dbraw/zinc/26/87/63/1020268763.db2.gz GKAXCSPGPYOOTC-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606897189 1032888888 /nfs/dbraw/zinc/88/88/88/1032888888.db2.gz LBQIGYLWOAXPJN-BEFAXECRSA-N 1 2 346.902 3.879 20 0 EHADLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606897189 1032888896 /nfs/dbraw/zinc/88/88/96/1032888896.db2.gz LBQIGYLWOAXPJN-BEFAXECRSA-N 1 2 346.902 3.879 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)s1 ZINC000280372245 1020330685 /nfs/dbraw/zinc/33/06/85/1020330685.db2.gz VNFXVKRKVYCXCH-UHFFFAOYSA-N 1 2 347.875 3.572 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)s1 ZINC000280372245 1020330689 /nfs/dbraw/zinc/33/06/89/1020330689.db2.gz VNFXVKRKVYCXCH-UHFFFAOYSA-N 1 2 347.875 3.572 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000280477181 1020413649 /nfs/dbraw/zinc/41/36/49/1020413649.db2.gz NNTPZPSKDOXMBN-JOCHJYFZSA-N 1 2 337.872 3.718 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000280477181 1020413655 /nfs/dbraw/zinc/41/36/55/1020413655.db2.gz NNTPZPSKDOXMBN-JOCHJYFZSA-N 1 2 337.872 3.718 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000280628516 1020520056 /nfs/dbraw/zinc/52/00/56/1020520056.db2.gz XCICKCDVRQKEEG-GFCCVEGCSA-N 1 2 335.835 3.810 20 0 EHADLO C[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000345935768 1020622956 /nfs/dbraw/zinc/62/29/56/1020622956.db2.gz DYMVWWGOHAXCNJ-HNAYVOBHSA-N 1 2 334.423 3.602 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCOc3ccc(F)cc3F)cc2[nH+]1 ZINC000340948147 1020666121 /nfs/dbraw/zinc/66/61/21/1020666121.db2.gz BNOBPRLUUWFLOE-UHFFFAOYSA-N 1 2 345.349 3.947 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCO[C@H](C)C3)c2=S)c(C)c1 ZINC000738160578 1032919561 /nfs/dbraw/zinc/91/95/61/1032919561.db2.gz JXBHWYMDDCBNAS-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCO[C@H](C)C3)c2=S)c(C)c1 ZINC000738160578 1032919575 /nfs/dbraw/zinc/91/95/75/1032919575.db2.gz JXBHWYMDDCBNAS-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000581333459 1020701357 /nfs/dbraw/zinc/70/13/57/1020701357.db2.gz HALMGJPWXAJJLK-HXUWFJFHSA-N 1 2 336.439 3.859 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000581333459 1020701367 /nfs/dbraw/zinc/70/13/67/1020701367.db2.gz HALMGJPWXAJJLK-HXUWFJFHSA-N 1 2 336.439 3.859 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340971212 1020709995 /nfs/dbraw/zinc/70/99/95/1020709995.db2.gz BSSLOQGZGLRFKT-SFTDATJTSA-N 1 2 345.446 3.741 20 0 EHADLO CCCOc1ccccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068527288 1020716761 /nfs/dbraw/zinc/71/67/61/1020716761.db2.gz GMQGYSQTMMIHRL-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CCCC(F)(F)C4)n3)[nH+]c12 ZINC000581394864 1020785430 /nfs/dbraw/zinc/78/54/30/1020785430.db2.gz DMPIFKUTXNVYBW-GFCCVEGCSA-N 1 2 332.354 3.909 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000292483647 1020823587 /nfs/dbraw/zinc/82/35/87/1020823587.db2.gz ZTOFPLITWRRHOT-UHFFFAOYSA-N 1 2 344.434 3.604 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCOCC1 ZINC000581464122 1020935187 /nfs/dbraw/zinc/93/51/87/1020935187.db2.gz ZFMDJMNVSFGJLN-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC3(C1)CCCCC3)C2 ZINC000476139425 1032948393 /nfs/dbraw/zinc/94/83/93/1032948393.db2.gz IQAOZBCPGXFNGL-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC3(C1)CCCCC3)CC2 ZINC000476139425 1032948408 /nfs/dbraw/zinc/94/84/08/1032948408.db2.gz IQAOZBCPGXFNGL-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2nc(C)no2)C1 ZINC000276338363 1021052161 /nfs/dbraw/zinc/05/21/61/1021052161.db2.gz RZRRRMRBTIXOGK-CQSZACIVSA-N 1 2 338.411 3.627 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3cccc(OC)c3)o2)cc1 ZINC000341218791 1021117138 /nfs/dbraw/zinc/11/71/38/1021117138.db2.gz LFHGUCMLKAPVOG-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO O=C(Cc1cccc(Cl)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341238620 1021153340 /nfs/dbraw/zinc/15/33/40/1021153340.db2.gz KCKDYFGHBFUIDA-UHFFFAOYSA-N 1 2 345.874 3.798 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C(F)(F)F)C(C)(C)C3)ccn12 ZINC000581616496 1021154379 /nfs/dbraw/zinc/15/43/79/1021154379.db2.gz OKYPTQCQDSLVEK-CYBMUJFWSA-N 1 2 339.361 3.693 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000341242191 1021162488 /nfs/dbraw/zinc/16/24/88/1021162488.db2.gz ZREPPEQYGNXFCW-BRWVUGGUSA-N 1 2 330.476 3.542 20 0 EHADLO O=C(c1nccc2ccccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341245081 1021172459 /nfs/dbraw/zinc/17/24/59/1021172459.db2.gz ZUYCYUVMWQIBHU-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000518445639 1021185511 /nfs/dbraw/zinc/18/55/11/1021185511.db2.gz TZGJRFYFZCEORR-SFHVURJKSA-N 1 2 334.423 3.963 20 0 EHADLO c1cn(Cc2ccccc2)nc1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000341261255 1021217847 /nfs/dbraw/zinc/21/78/47/1021217847.db2.gz FRAVVMKNGKMBQM-UHFFFAOYSA-N 1 2 338.480 3.945 20 0 EHADLO Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cn1 ZINC000684357019 1021248326 /nfs/dbraw/zinc/24/83/26/1021248326.db2.gz NZNANUAAWYBRIU-QGZVFWFLSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1ccc(CCC[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cn1 ZINC000684357019 1021248337 /nfs/dbraw/zinc/24/83/37/1021248337.db2.gz NZNANUAAWYBRIU-QGZVFWFLSA-N 1 2 326.444 3.810 20 0 EHADLO FC(F)(F)c1ccc2c(ccnc2NCc2c[nH+]c3n2CCCC3)c1 ZINC000581648298 1021249405 /nfs/dbraw/zinc/24/94/05/1021249405.db2.gz RSDNFFXVLDMMGO-UHFFFAOYSA-N 1 2 346.356 3.820 20 0 EHADLO CCc1nc(C)c(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000426323404 1021262189 /nfs/dbraw/zinc/26/21/89/1021262189.db2.gz MWGHKNBPPJVHSY-IBGZPJMESA-N 1 2 325.387 3.959 20 0 EHADLO CC(C)c1cc(N2CC[NH+](Cc3ccco3)CC2)nc(C(C)C)n1 ZINC000341273048 1021263924 /nfs/dbraw/zinc/26/39/24/1021263924.db2.gz QFVIOTIZWULCKU-UHFFFAOYSA-N 1 2 328.460 3.639 20 0 EHADLO CC(C)c1nnc(CC[NH2+][C@@H](Cc2ccccc2)C(F)F)s1 ZINC000426329659 1021282328 /nfs/dbraw/zinc/28/23/28/1021282328.db2.gz HDBRDZKQFBSBCX-ZDUSSCGKSA-N 1 2 325.428 3.670 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1c(C(F)(F)F)cnn1C ZINC000656768529 1021304784 /nfs/dbraw/zinc/30/47/84/1021304784.db2.gz KNCCTQOTDYLTGT-UHFFFAOYSA-N 1 2 337.349 3.811 20 0 EHADLO CCc1nocc1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507534231 1021322857 /nfs/dbraw/zinc/32/28/57/1021322857.db2.gz POAJSXPFCCZJGX-HZPDHXFCSA-N 1 2 341.238 3.634 20 0 EHADLO CCc1nocc1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507534231 1021322874 /nfs/dbraw/zinc/32/28/74/1021322874.db2.gz POAJSXPFCCZJGX-HZPDHXFCSA-N 1 2 341.238 3.634 20 0 EHADLO c1csc([C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)c2nnc[nH]2)c1 ZINC000518575093 1021332027 /nfs/dbraw/zinc/33/20/27/1021332027.db2.gz LSZSMCFNPSYMNW-VIFSAKLVSA-N 1 2 328.485 3.618 20 0 EHADLO Cc1cnc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)n1C ZINC000341291590 1021347406 /nfs/dbraw/zinc/34/74/06/1021347406.db2.gz VJJZXGXNBHNWML-GOSISDBHSA-N 1 2 340.858 3.851 20 0 EHADLO Cc1c[nH+]c(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)n1C ZINC000341291590 1021347424 /nfs/dbraw/zinc/34/74/24/1021347424.db2.gz VJJZXGXNBHNWML-GOSISDBHSA-N 1 2 340.858 3.851 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000507576908 1021357318 /nfs/dbraw/zinc/35/73/18/1021357318.db2.gz FGQZEAVPGPGKJF-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO CS[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000296482217 1021367006 /nfs/dbraw/zinc/36/70/06/1021367006.db2.gz YLSIKDAKDPMVAB-OAHLLOKOSA-N 1 2 338.473 3.799 20 0 EHADLO CS[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000296482217 1021367023 /nfs/dbraw/zinc/36/70/23/1021367023.db2.gz YLSIKDAKDPMVAB-OAHLLOKOSA-N 1 2 338.473 3.799 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000341294295 1021367031 /nfs/dbraw/zinc/36/70/31/1021367031.db2.gz RRLXQLGFGFYQRZ-VXGBXAGGSA-N 1 2 346.377 3.845 20 0 EHADLO COc1ccccc1CC[N@H+](C)Cc1ncc(Br)s1 ZINC000341304309 1021401664 /nfs/dbraw/zinc/40/16/64/1021401664.db2.gz HTDVTERHTXPSAS-UHFFFAOYSA-N 1 2 341.274 3.589 20 0 EHADLO COc1ccccc1CC[N@@H+](C)Cc1ncc(Br)s1 ZINC000341304309 1021401670 /nfs/dbraw/zinc/40/16/70/1021401670.db2.gz HTDVTERHTXPSAS-UHFFFAOYSA-N 1 2 341.274 3.589 20 0 EHADLO COCC(C)(C)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000426368126 1021402792 /nfs/dbraw/zinc/40/27/92/1021402792.db2.gz XFTOGWYIOCKDRD-HNNXBMFYSA-N 1 2 331.378 3.751 20 0 EHADLO COCC(C)(C)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000426368126 1021402805 /nfs/dbraw/zinc/40/28/05/1021402805.db2.gz XFTOGWYIOCKDRD-HNNXBMFYSA-N 1 2 331.378 3.751 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)s1 ZINC000427451908 1021408298 /nfs/dbraw/zinc/40/82/98/1021408298.db2.gz HFSCJISLLVHBOF-MRXNPFEDSA-N 1 2 332.513 3.701 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@]3(C)CCOc4ccccc43)o2)c(C)o1 ZINC000933366014 1021416184 /nfs/dbraw/zinc/41/61/84/1021416184.db2.gz LLRJXWUZLXXFEW-IBGZPJMESA-N 1 2 339.395 3.734 20 0 EHADLO Oc1ccc(F)c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1F ZINC000507650362 1021416560 /nfs/dbraw/zinc/41/65/60/1021416560.db2.gz ADPXDCWAUXHAPA-UHFFFAOYSA-N 1 2 336.357 3.886 20 0 EHADLO COc1ccnc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)c1OC ZINC000276461165 1021417918 /nfs/dbraw/zinc/41/79/18/1021417918.db2.gz WLIGMAZBDZZBGK-UHFFFAOYSA-N 1 2 338.810 3.916 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1C ZINC000341319358 1021419760 /nfs/dbraw/zinc/41/97/60/1021419760.db2.gz VJCLOBMLQQJALL-BBRMVZONSA-N 1 2 331.847 3.877 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000439427363 1021422874 /nfs/dbraw/zinc/42/28/74/1021422874.db2.gz DAYAGTPEDKTWFI-ZWKOTPCHSA-N 1 2 333.497 3.757 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000439427363 1021422882 /nfs/dbraw/zinc/42/28/82/1021422882.db2.gz DAYAGTPEDKTWFI-ZWKOTPCHSA-N 1 2 333.497 3.757 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000426382291 1021440549 /nfs/dbraw/zinc/44/05/49/1021440549.db2.gz ZJCTXKWPVCJERG-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000426382291 1021440563 /nfs/dbraw/zinc/44/05/63/1021440563.db2.gz ZJCTXKWPVCJERG-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2ccccc21 ZINC000341356773 1021518819 /nfs/dbraw/zinc/51/88/19/1021518819.db2.gz YBYJUWQMDOXYMF-OALUTQOASA-N 1 2 331.419 3.735 20 0 EHADLO CCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1cccc(Cl)c1 ZINC000341358180 1021522377 /nfs/dbraw/zinc/52/23/77/1021522377.db2.gz OQLPERLGIGWAFP-UHFFFAOYSA-N 1 2 329.835 3.742 20 0 EHADLO O=C(Cc1ccccc1OC1CCCC1)Nc1c[nH+]c2n1CCCC2 ZINC000516546690 1021529452 /nfs/dbraw/zinc/52/94/52/1021529452.db2.gz QRRBNLRBVBPLEP-UHFFFAOYSA-N 1 2 339.439 3.722 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000449658012 1032987842 /nfs/dbraw/zinc/98/78/42/1032987842.db2.gz RTIKSENVHLZHAF-WMLDXEAASA-N 1 2 338.442 3.665 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000509608049 1021551268 /nfs/dbraw/zinc/55/12/68/1021551268.db2.gz JRMYXPLEALQLDK-CGTJXYLNSA-N 1 2 333.439 3.526 20 0 EHADLO CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000516574317 1021558913 /nfs/dbraw/zinc/55/89/13/1021558913.db2.gz MZIIHVRNGZARSO-SCTDSRPQSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(Nc1cc(C(F)F)ccc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000516673836 1021642822 /nfs/dbraw/zinc/64/28/22/1021642822.db2.gz HCYXAEVQRAXIGB-SNVBAGLBSA-N 1 2 340.761 3.611 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000064998353 1021670008 /nfs/dbraw/zinc/67/00/08/1021670008.db2.gz KXUVEZWUHMOEQO-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2cccs2)C(C)C)c1C ZINC000297726191 1021671649 /nfs/dbraw/zinc/67/16/49/1021671649.db2.gz BTFXDBNPMFZCRX-UHFFFAOYSA-N 1 2 332.469 3.989 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2cccs2)C(C)C)c1C ZINC000297726191 1021671659 /nfs/dbraw/zinc/67/16/59/1021671659.db2.gz BTFXDBNPMFZCRX-UHFFFAOYSA-N 1 2 332.469 3.989 20 0 EHADLO O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000933429651 1021729630 /nfs/dbraw/zinc/72/96/30/1021729630.db2.gz UDBWSWMSPPVZNI-UHFFFAOYSA-N 1 2 344.381 3.564 20 0 EHADLO O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000933429651 1021729640 /nfs/dbraw/zinc/72/96/40/1021729640.db2.gz UDBWSWMSPPVZNI-UHFFFAOYSA-N 1 2 344.381 3.564 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]2CCC[C@H]21 ZINC000440714705 1021735900 /nfs/dbraw/zinc/73/59/00/1021735900.db2.gz QJTLSQCBBYJZHF-GDBMZVCRSA-N 1 2 348.516 3.925 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000440716335 1021737153 /nfs/dbraw/zinc/73/71/53/1021737153.db2.gz MRUBVTATSDOHIS-QFBILLFUSA-N 1 2 335.451 3.514 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ccncc2OCc2ccccc2)o1 ZINC000894389786 1021763590 /nfs/dbraw/zinc/76/35/90/1021763590.db2.gz BOLFIOCFRVENKT-UHFFFAOYSA-N 1 2 338.407 3.942 20 0 EHADLO F[C@H]1CC2(CC[C@H]1[NH+](Cc1ccco1)Cc1ccco1)OCCO2 ZINC000891497748 1021765845 /nfs/dbraw/zinc/76/58/45/1021765845.db2.gz IMVIFINEGYGJJC-DLBZAZTESA-N 1 2 335.375 3.509 20 0 EHADLO CC[C@H](F)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000440759847 1021766883 /nfs/dbraw/zinc/76/68/83/1021766883.db2.gz CVHHPABEEWEGIA-CQDKDKBSSA-N 1 2 330.241 3.959 20 0 EHADLO CC[C@H](F)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000440759847 1021766895 /nfs/dbraw/zinc/76/68/95/1021766895.db2.gz CVHHPABEEWEGIA-CQDKDKBSSA-N 1 2 330.241 3.959 20 0 EHADLO CC1=C(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCC1 ZINC000437359517 1021771036 /nfs/dbraw/zinc/77/10/36/1021771036.db2.gz ZPTKCKVMLBOMFF-UHFFFAOYSA-N 1 2 349.438 3.762 20 0 EHADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccnc(OC2CCC(C)CC2)c1 ZINC000925061660 1021776785 /nfs/dbraw/zinc/77/67/85/1021776785.db2.gz KIWZQZVURTUXLN-UYJPIKCFSA-N 1 2 330.432 3.581 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc2c1 ZINC000130275324 1021801820 /nfs/dbraw/zinc/80/18/20/1021801820.db2.gz NIGCIXIXABSAEK-QGZVFWFLSA-N 1 2 335.407 3.671 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)nc2c1 ZINC000130275324 1021801838 /nfs/dbraw/zinc/80/18/38/1021801838.db2.gz NIGCIXIXABSAEK-QGZVFWFLSA-N 1 2 335.407 3.671 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000439965311 1021847567 /nfs/dbraw/zinc/84/75/67/1021847567.db2.gz GDEMWYHFYFGASF-CQSZACIVSA-N 1 2 325.437 3.842 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439964824 1021848753 /nfs/dbraw/zinc/84/87/53/1021848753.db2.gz DCKXDJYAHNCYFV-UHFFFAOYSA-N 1 2 345.205 3.883 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)c1ccc2c(c1)CCO2 ZINC000933490905 1021873672 /nfs/dbraw/zinc/87/36/72/1021873672.db2.gz AJLLBFQMEKGSQI-GFCCVEGCSA-N 1 2 339.370 3.661 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc(F)cc2F)no1)c1ccccc1 ZINC000289991049 1021897454 /nfs/dbraw/zinc/89/74/54/1021897454.db2.gz DZDPYDFYLRAAEH-GOSISDBHSA-N 1 2 343.377 3.980 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc(F)cc2F)no1)c1ccccc1 ZINC000289991049 1021897466 /nfs/dbraw/zinc/89/74/66/1021897466.db2.gz DZDPYDFYLRAAEH-GOSISDBHSA-N 1 2 343.377 3.980 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ncc3ccccc3c2=O)c1C ZINC000172912535 1033015103 /nfs/dbraw/zinc/01/51/03/1033015103.db2.gz GHKDGTRABMTKRV-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2ncc3ccccc3c2=O)c1C ZINC000172912535 1033015116 /nfs/dbraw/zinc/01/51/16/1033015116.db2.gz GHKDGTRABMTKRV-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673437 1033018543 /nfs/dbraw/zinc/01/85/43/1033018543.db2.gz OVEFNSBETQCMQS-QPUJVOFHSA-N 1 2 346.151 3.878 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673437 1033018555 /nfs/dbraw/zinc/01/85/55/1033018555.db2.gz OVEFNSBETQCMQS-QPUJVOFHSA-N 1 2 346.151 3.878 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437575535 1021962458 /nfs/dbraw/zinc/96/24/58/1021962458.db2.gz GKAXFIJKNWAKHQ-UHFFFAOYSA-N 1 2 336.785 3.659 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437575535 1021962465 /nfs/dbraw/zinc/96/24/65/1021962465.db2.gz GKAXFIJKNWAKHQ-UHFFFAOYSA-N 1 2 336.785 3.659 20 0 EHADLO CCc1occc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000280797859 1021963920 /nfs/dbraw/zinc/96/39/20/1021963920.db2.gz LUTDAUMHYNULRL-GFCCVEGCSA-N 1 2 333.457 3.783 20 0 EHADLO CCc1occc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000280797859 1021963929 /nfs/dbraw/zinc/96/39/29/1021963929.db2.gz LUTDAUMHYNULRL-GFCCVEGCSA-N 1 2 333.457 3.783 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1nc3ccc(F)cc3o1)C2 ZINC000441069725 1021968546 /nfs/dbraw/zinc/96/85/46/1021968546.db2.gz PABGAZKUPLXTLI-UHFFFAOYSA-N 1 2 326.371 3.924 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1nc3ccc(F)cc3o1)C2 ZINC000441069725 1021968561 /nfs/dbraw/zinc/96/85/61/1021968561.db2.gz PABGAZKUPLXTLI-UHFFFAOYSA-N 1 2 326.371 3.924 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673436 1033019178 /nfs/dbraw/zinc/01/91/78/1033019178.db2.gz OVEFNSBETQCMQS-PRHODGIISA-N 1 2 346.151 3.878 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)C(F)(F)F ZINC000449673436 1033019194 /nfs/dbraw/zinc/01/91/94/1033019194.db2.gz OVEFNSBETQCMQS-PRHODGIISA-N 1 2 346.151 3.878 20 0 EHADLO COc1ccc(Cl)c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000581876512 1021977785 /nfs/dbraw/zinc/97/77/85/1021977785.db2.gz DIPBHXNAFBDGAS-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO c1ccc2c(c1)CC[C@]1(CC[N@@H+](Cc3nc(C4CCCC4)no3)C1)O2 ZINC000517059718 1021986413 /nfs/dbraw/zinc/98/64/13/1021986413.db2.gz WJZNLEXTKOYQRA-HXUWFJFHSA-N 1 2 339.439 3.697 20 0 EHADLO c1ccc2c(c1)CC[C@]1(CC[N@H+](Cc3nc(C4CCCC4)no3)C1)O2 ZINC000517059718 1021986427 /nfs/dbraw/zinc/98/64/27/1021986427.db2.gz WJZNLEXTKOYQRA-HXUWFJFHSA-N 1 2 339.439 3.697 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(C)c(C)c2)c1C ZINC000520181744 1022000472 /nfs/dbraw/zinc/00/04/72/1022000472.db2.gz QNEKRLYXRWEHJY-UHFFFAOYSA-N 1 2 326.440 3.525 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1OC ZINC000341478028 1022008132 /nfs/dbraw/zinc/00/81/32/1022008132.db2.gz WBRHSTNFOFWPLJ-GFCCVEGCSA-N 1 2 343.383 3.588 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4cccs4)o3)sc2C1 ZINC000341473011 1022013908 /nfs/dbraw/zinc/01/39/08/1022013908.db2.gz HPFRYKUQLNJVEM-UHFFFAOYSA-N 1 2 345.449 3.705 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4cccs4)o3)sc2C1 ZINC000341473011 1022013927 /nfs/dbraw/zinc/01/39/27/1022013927.db2.gz HPFRYKUQLNJVEM-UHFFFAOYSA-N 1 2 345.449 3.705 20 0 EHADLO COCC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000441160686 1022023638 /nfs/dbraw/zinc/02/36/38/1022023638.db2.gz AQKHOHHLDSWWLR-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO COCC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000441160686 1022023652 /nfs/dbraw/zinc/02/36/52/1022023652.db2.gz AQKHOHHLDSWWLR-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000341480149 1022031444 /nfs/dbraw/zinc/03/14/44/1022031444.db2.gz LKCAOTCRRGFWPD-UHFFFAOYSA-N 1 2 336.357 3.851 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000341506982 1022046918 /nfs/dbraw/zinc/04/69/18/1022046918.db2.gz OBRDSKQCCZMNMF-QWRGUYRKSA-N 1 2 343.349 3.985 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440269646 1022056674 /nfs/dbraw/zinc/05/66/74/1022056674.db2.gz KFWUVGXPMWRICZ-GFCCVEGCSA-N 1 2 340.349 3.588 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)n1 ZINC000925023860 1022080332 /nfs/dbraw/zinc/08/03/32/1022080332.db2.gz PUTPHIUSABYOGO-GJZGRUSLSA-N 1 2 345.491 3.666 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000506822142 1022100682 /nfs/dbraw/zinc/10/06/82/1022100682.db2.gz OOVBWBLBDGGKCO-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000506822142 1022100693 /nfs/dbraw/zinc/10/06/93/1022100693.db2.gz OOVBWBLBDGGKCO-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3[C@H](C)CCC[C@@H]3C)cn2c1 ZINC000073319228 1022139585 /nfs/dbraw/zinc/13/95/85/1022139585.db2.gz WGRCSNUSUSWCPW-GASCZTMLSA-N 1 2 331.485 3.665 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000548298361 1022159632 /nfs/dbraw/zinc/15/96/32/1022159632.db2.gz ZKTGOJPHWVSNPC-CQSZACIVSA-N 1 2 332.400 3.674 20 0 EHADLO CCc1ccnc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000341537840 1022164118 /nfs/dbraw/zinc/16/41/18/1022164118.db2.gz VXTJDSROVKOYIE-FQEVSTJZSA-N 1 2 348.450 3.629 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000437829592 1022167252 /nfs/dbraw/zinc/16/72/52/1022167252.db2.gz SNHZATFNWZSIDB-FOIQADDNSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000437829592 1022167259 /nfs/dbraw/zinc/16/72/59/1022167259.db2.gz SNHZATFNWZSIDB-FOIQADDNSA-N 1 2 336.435 3.533 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000187707602 1022221702 /nfs/dbraw/zinc/22/17/02/1022221702.db2.gz CXAROPWRIHIYDN-GOSISDBHSA-N 1 2 340.810 3.911 20 0 EHADLO Cc1cccc([C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000119415668 1033038066 /nfs/dbraw/zinc/03/80/66/1033038066.db2.gz HSJUPYHZMSTGLK-SJLPKXTDSA-N 1 2 325.456 3.658 20 0 EHADLO CN(C)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000237145887 1022238259 /nfs/dbraw/zinc/23/82/59/1022238259.db2.gz VFSADUGURSTTFU-UHFFFAOYSA-N 1 2 330.863 3.882 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000894424566 1022266900 /nfs/dbraw/zinc/26/69/00/1022266900.db2.gz XSBOKZOXKZOXPU-UHFFFAOYSA-N 1 2 341.381 3.586 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000084221195 1022288918 /nfs/dbraw/zinc/28/89/18/1022288918.db2.gz GDACTDYLJATBNM-LLVKDONJSA-N 1 2 328.250 3.611 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000084221195 1022288924 /nfs/dbraw/zinc/28/89/24/1022288924.db2.gz GDACTDYLJATBNM-LLVKDONJSA-N 1 2 328.250 3.611 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)on1 ZINC000550345161 1022291248 /nfs/dbraw/zinc/29/12/48/1022291248.db2.gz UZWBRQSSCCNTOB-NRFANRHFSA-N 1 2 347.418 3.569 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)on1 ZINC000550345161 1022291251 /nfs/dbraw/zinc/29/12/51/1022291251.db2.gz UZWBRQSSCCNTOB-NRFANRHFSA-N 1 2 347.418 3.569 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000341569305 1022349593 /nfs/dbraw/zinc/34/95/93/1022349593.db2.gz SVTHHAIRDGMNNE-CQSZACIVSA-N 1 2 337.895 3.506 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000341569305 1022349609 /nfs/dbraw/zinc/34/96/09/1022349609.db2.gz SVTHHAIRDGMNNE-CQSZACIVSA-N 1 2 337.895 3.506 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102897 1022390861 /nfs/dbraw/zinc/39/08/61/1022390861.db2.gz XGJJDIDKWJXHDC-STQMWFEESA-N 1 2 325.733 3.757 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102897 1022390876 /nfs/dbraw/zinc/39/08/76/1022390876.db2.gz XGJJDIDKWJXHDC-STQMWFEESA-N 1 2 325.733 3.757 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CCCC2CCCCC2)CCO1 ZINC000548342044 1022406989 /nfs/dbraw/zinc/40/69/89/1022406989.db2.gz RCXFNGSWIJKPAZ-WMZOPIPTSA-N 1 2 333.476 3.507 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1C1CC1 ZINC000528908685 1033054538 /nfs/dbraw/zinc/05/45/38/1033054538.db2.gz WQYMCCXVTXGHQK-QTJFZDIUSA-N 1 2 333.435 3.832 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C)o1 ZINC000156490756 1022430171 /nfs/dbraw/zinc/43/01/71/1022430171.db2.gz AEZMADGLQICQES-APWZRJJASA-N 1 2 339.439 3.871 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccnc1 ZINC000647952849 1022509598 /nfs/dbraw/zinc/50/95/98/1022509598.db2.gz OGXODQOEVVVMSB-MRXNPFEDSA-N 1 2 343.452 3.648 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830610 1022527406 /nfs/dbraw/zinc/52/74/06/1022527406.db2.gz AOXMMVGPBKEHHU-VQIMIIECSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830610 1022527419 /nfs/dbraw/zinc/52/74/19/1022527419.db2.gz AOXMMVGPBKEHHU-VQIMIIECSA-N 1 2 341.499 3.860 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C(F)F)c(F)c2)no1 ZINC000894536444 1022528430 /nfs/dbraw/zinc/52/84/30/1022528430.db2.gz GXWUSGSTELTJII-UHFFFAOYSA-N 1 2 342.317 3.563 20 0 EHADLO COc1ccc2cc(NCc3cc(Br)no3)[nH+]cc2c1 ZINC001167491784 1022531347 /nfs/dbraw/zinc/53/13/47/1022531347.db2.gz AOWSBUPULCMDAS-UHFFFAOYSA-N 1 2 334.173 3.606 20 0 EHADLO Cc1cc(N2CC[C@H](c3ccccc3)[C@H](CO)C2)nc(C2CCC2)[nH+]1 ZINC000894551848 1022539230 /nfs/dbraw/zinc/53/92/30/1022539230.db2.gz ADPIJLVBEFORPN-RBUKOAKNSA-N 1 2 337.467 3.655 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000438302126 1022543249 /nfs/dbraw/zinc/54/32/49/1022543249.db2.gz HSHGRCOKFBYDGV-KHYOSLBOSA-N 1 2 329.415 3.692 20 0 EHADLO Cc1cc(F)ncc1C[N@H+](C)Cc1csc(Br)c1 ZINC000891753359 1022544901 /nfs/dbraw/zinc/54/49/01/1022544901.db2.gz WXGDVBUIGDJKDK-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000891753359 1022544911 /nfs/dbraw/zinc/54/49/11/1022544911.db2.gz WXGDVBUIGDJKDK-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1cc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)c(C)o1 ZINC000120827935 1022546265 /nfs/dbraw/zinc/54/62/65/1022546265.db2.gz UMURDAHOKYADDY-UHFFFAOYSA-N 1 2 329.322 3.721 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000292511399 1022554753 /nfs/dbraw/zinc/55/47/53/1022554753.db2.gz RNWMVKAFOAZBIK-MRXNPFEDSA-N 1 2 332.492 3.792 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834458 1022604957 /nfs/dbraw/zinc/60/49/57/1022604957.db2.gz ZFIAVVKSMXKIEJ-VQIMIIECSA-N 1 2 337.467 3.512 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834458 1022604963 /nfs/dbraw/zinc/60/49/63/1022604963.db2.gz ZFIAVVKSMXKIEJ-VQIMIIECSA-N 1 2 337.467 3.512 20 0 EHADLO Cn1ncc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c1C1CC1 ZINC000891771068 1022607409 /nfs/dbraw/zinc/60/74/09/1022607409.db2.gz OQLAMAGAZKWZSG-LJQANCHMSA-N 1 2 349.482 3.911 20 0 EHADLO Cn1ncc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c1C1CC1 ZINC000891771068 1022607416 /nfs/dbraw/zinc/60/74/16/1022607416.db2.gz OQLAMAGAZKWZSG-LJQANCHMSA-N 1 2 349.482 3.911 20 0 EHADLO CCCCC1CCC(CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000517740577 1022609985 /nfs/dbraw/zinc/60/99/85/1022609985.db2.gz MUCXHVHFNQQWBD-UHFFFAOYSA-N 1 2 334.508 3.959 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003918 1022632660 /nfs/dbraw/zinc/63/26/60/1022632660.db2.gz NXDNGUWZCMMQHX-DKIMLUQUSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003918 1022632668 /nfs/dbraw/zinc/63/26/68/1022632668.db2.gz NXDNGUWZCMMQHX-DKIMLUQUSA-N 1 2 341.455 3.791 20 0 EHADLO CCSCc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000438394055 1022633610 /nfs/dbraw/zinc/63/36/10/1022633610.db2.gz GYPVGFQLWFOPGP-UHFFFAOYSA-N 1 2 344.484 3.958 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)o1 ZINC000330690307 1022640735 /nfs/dbraw/zinc/64/07/35/1022640735.db2.gz FQCTVDFVEQNSGE-HNNXBMFYSA-N 1 2 329.444 3.853 20 0 EHADLO Fc1cc2c(cc1Br)[C@@H]([NH2+][C@@H]1CCc3cccnc31)CO2 ZINC000894672809 1022689564 /nfs/dbraw/zinc/68/95/64/1022689564.db2.gz IRVOUZWHADEREO-KGLIPLIRSA-N 1 2 349.203 3.694 20 0 EHADLO CC[C@@H](C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009238 1022691504 /nfs/dbraw/zinc/69/15/04/1022691504.db2.gz GUJWHQJANDNQEN-INMHGKMJSA-N 1 2 329.444 3.620 20 0 EHADLO CC[C@@H](C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009238 1022691511 /nfs/dbraw/zinc/69/15/11/1022691511.db2.gz GUJWHQJANDNQEN-INMHGKMJSA-N 1 2 329.444 3.620 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665010486 1022708836 /nfs/dbraw/zinc/70/88/36/1022708836.db2.gz WXMUUUPLKMTADX-ZBFHGGJFSA-N 1 2 329.444 3.719 20 0 EHADLO CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665010486 1022708850 /nfs/dbraw/zinc/70/88/50/1022708850.db2.gz WXMUUUPLKMTADX-ZBFHGGJFSA-N 1 2 329.444 3.719 20 0 EHADLO CC(C)N(C)c1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000438487236 1022710487 /nfs/dbraw/zinc/71/04/87/1022710487.db2.gz RZCPPGZUGUMEHZ-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012331 1022715291 /nfs/dbraw/zinc/71/52/91/1022715291.db2.gz OXCWHSSQGSALPV-LAJUXKIGSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C(C)=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012331 1022715303 /nfs/dbraw/zinc/71/53/03/1022715303.db2.gz OXCWHSSQGSALPV-LAJUXKIGSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000519567476 1022716805 /nfs/dbraw/zinc/71/68/05/1022716805.db2.gz FHOUOPJAWKSIAX-UHFFFAOYSA-N 1 2 347.462 3.716 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC2CCC2)C[C@@H](C)O1 ZINC000111727703 1022727700 /nfs/dbraw/zinc/72/77/00/1022727700.db2.gz MRZHKMRWNNRHQY-HZPDHXFCSA-N 1 2 345.487 3.560 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2occc2C(=O)OC)cc1OC ZINC000341636628 1022731956 /nfs/dbraw/zinc/73/19/56/1022731956.db2.gz IZKCLPMDHWLDBD-ZDUSSCGKSA-N 1 2 347.411 3.714 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CC[S@@](=O)c2ccccc2)[C@H](C)CO1 ZINC000441438534 1022755026 /nfs/dbraw/zinc/75/50/26/1022755026.db2.gz RUBYJTPHKWAFPQ-VWQFJMCTSA-N 1 2 343.492 3.565 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)[C@H](C)CO1 ZINC000441438534 1022755032 /nfs/dbraw/zinc/75/50/32/1022755032.db2.gz RUBYJTPHKWAFPQ-VWQFJMCTSA-N 1 2 343.492 3.565 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1Oc1ccccc1 ZINC000341641286 1022755247 /nfs/dbraw/zinc/75/52/47/1022755247.db2.gz OENFTAVFKUVDSL-AWEZNQCLSA-N 1 2 335.411 3.651 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c(C)s1 ZINC000347349885 1033079594 /nfs/dbraw/zinc/07/95/94/1033079594.db2.gz WBSOIRPUNMWEAL-CABCVRRESA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c(C)s1 ZINC000347349885 1033079612 /nfs/dbraw/zinc/07/96/12/1033079612.db2.gz WBSOIRPUNMWEAL-CABCVRRESA-N 1 2 334.510 3.761 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@@H](C(C)(C)C)C3)o2)cc1 ZINC000331311484 1022785206 /nfs/dbraw/zinc/78/52/06/1022785206.db2.gz GYVWLBDKLPNGLM-GDBMZVCRSA-N 1 2 329.444 3.853 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@@H](C(C)(C)C)C3)o2)cc1 ZINC000331311484 1022785222 /nfs/dbraw/zinc/78/52/22/1022785222.db2.gz GYVWLBDKLPNGLM-GDBMZVCRSA-N 1 2 329.444 3.853 20 0 EHADLO CC[C@H](C)[C@@H](OC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345986856 1022797364 /nfs/dbraw/zinc/79/73/64/1022797364.db2.gz SAIYAYCUDCBZRP-XJKSGUPXSA-N 1 2 326.400 3.715 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[C@@H]1C ZINC000517899895 1022805231 /nfs/dbraw/zinc/80/52/31/1022805231.db2.gz XHZGNTCIAFMUFW-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000438568808 1022818244 /nfs/dbraw/zinc/81/82/44/1022818244.db2.gz BQVQSDVLANGWAH-SJORKVTESA-N 1 2 325.456 3.739 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(O)c(F)c1 ZINC000894750816 1022849285 /nfs/dbraw/zinc/84/92/85/1022849285.db2.gz MECURFDMBZLCKC-UHFFFAOYSA-N 1 2 347.390 3.563 20 0 EHADLO COc1ccc(F)cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510670808 1022858774 /nfs/dbraw/zinc/85/87/74/1022858774.db2.gz XZMIIECAVLIVJJ-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO COc1ccc(F)cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510670808 1022858783 /nfs/dbraw/zinc/85/87/83/1022858783.db2.gz XZMIIECAVLIVJJ-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO Fc1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000188977850 1022928787 /nfs/dbraw/zinc/92/87/87/1022928787.db2.gz FMFIKBNCOCSHLB-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO Fc1cc(Cl)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000188977850 1022928792 /nfs/dbraw/zinc/92/87/92/1022928792.db2.gz FMFIKBNCOCSHLB-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO CCSCC[C@@H](C)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189117930 1022970019 /nfs/dbraw/zinc/97/00/19/1022970019.db2.gz MRYBWBWVBPBSNX-LLVKDONJSA-N 1 2 341.427 3.978 20 0 EHADLO CCSCC[C@@H](C)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189117930 1022970030 /nfs/dbraw/zinc/97/00/30/1022970030.db2.gz MRYBWBWVBPBSNX-LLVKDONJSA-N 1 2 341.427 3.978 20 0 EHADLO O=C(C[C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000341680757 1022985998 /nfs/dbraw/zinc/98/59/98/1022985998.db2.gz UPEJCRPUQHIYTG-IEBWSBKVSA-N 1 2 340.492 3.586 20 0 EHADLO Fc1ccc(Cn2cc(C[NH2+]Cc3nc(C4CC4)cs3)cn2)cc1 ZINC000189306880 1022996594 /nfs/dbraw/zinc/99/65/94/1022996594.db2.gz HZUBGAGUQYCZEM-UHFFFAOYSA-N 1 2 342.443 3.694 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000506362081 1023009462 /nfs/dbraw/zinc/00/94/62/1023009462.db2.gz JSHWHTSKZNDDGY-ZNMIVQPWSA-N 1 2 338.442 3.728 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000506362081 1023009478 /nfs/dbraw/zinc/00/94/78/1023009478.db2.gz JSHWHTSKZNDDGY-ZNMIVQPWSA-N 1 2 338.442 3.728 20 0 EHADLO CCC[C@@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(=O)OC ZINC000426162628 1023019916 /nfs/dbraw/zinc/01/99/16/1023019916.db2.gz SJIBHSUOAVTTNZ-PESDSKBTSA-N 1 2 340.261 3.626 20 0 EHADLO Cc1ccc(-c2ncccc2NC(=O)NCCCn2cc[nH+]c2)s1 ZINC000189477664 1023037999 /nfs/dbraw/zinc/03/79/99/1023037999.db2.gz SCLKIJJPKNPCCH-UHFFFAOYSA-N 1 2 341.440 3.527 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@H]2CCc3ccccc3C2)no1)c1ccccc1 ZINC000685319113 1033101581 /nfs/dbraw/zinc/10/15/81/1033101581.db2.gz KQCAAJABDQBDJM-RBUKOAKNSA-N 1 2 333.435 3.993 20 0 EHADLO CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000426189356 1023058933 /nfs/dbraw/zinc/05/89/33/1023058933.db2.gz YZRMXKWOSYQSRX-SFHVURJKSA-N 1 2 340.471 3.674 20 0 EHADLO CN(C)c1ccccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341698120 1023061280 /nfs/dbraw/zinc/06/12/80/1023061280.db2.gz KRXWGLRZTWLBOQ-INIZCTEOSA-N 1 2 334.423 3.636 20 0 EHADLO CC[C@H](c1nn(C[N@H+](C)C[C@@H]2CCOC2)c(=S)o1)c1ccccc1 ZINC000176105206 1023064616 /nfs/dbraw/zinc/06/46/16/1023064616.db2.gz GCDNBIWORIPRGJ-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO CC[C@H](c1nn(C[N@@H+](C)C[C@@H]2CCOC2)c(=S)o1)c1ccccc1 ZINC000176105206 1023064628 /nfs/dbraw/zinc/06/46/28/1023064628.db2.gz GCDNBIWORIPRGJ-HOCLYGCPSA-N 1 2 347.484 3.673 20 0 EHADLO CCc1cncc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000346016757 1023081184 /nfs/dbraw/zinc/08/11/84/1023081184.db2.gz NWYWHABOMBTSJW-UHFFFAOYSA-N 1 2 331.379 3.606 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 ZINC000294853401 1023114927 /nfs/dbraw/zinc/11/49/27/1023114927.db2.gz SINRUHPERRIHND-UHFFFAOYSA-N 1 2 332.757 3.890 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC2CCC1CC2 ZINC000550412972 1023126684 /nfs/dbraw/zinc/12/66/84/1023126684.db2.gz SVNBILWCELKDNF-NKELODKYSA-N 1 2 341.499 3.905 20 0 EHADLO Cc1cncc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000189913583 1023130818 /nfs/dbraw/zinc/13/08/18/1023130818.db2.gz VQCHDMRNDDYGJS-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cncc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000189913583 1023130822 /nfs/dbraw/zinc/13/08/22/1023130822.db2.gz VQCHDMRNDDYGJS-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1sccc1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000507103954 1023130897 /nfs/dbraw/zinc/13/08/97/1023130897.db2.gz OYVPJCBMYNDBQE-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CC[C@](C)(O)CN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000438905210 1023136925 /nfs/dbraw/zinc/13/69/25/1023136925.db2.gz XLUNVCVLOLCOSY-FQEVSTJZSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2ccsc2)c(C)c1 ZINC000441480664 1023138202 /nfs/dbraw/zinc/13/82/02/1023138202.db2.gz KYZJXIZEFVGEHO-SFHVURJKSA-N 1 2 339.464 3.662 20 0 EHADLO CCn1nccc1[C@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343284568 1023179587 /nfs/dbraw/zinc/17/95/87/1023179587.db2.gz VBVXDHLFKVCQTH-NHYWBVRUSA-N 1 2 340.349 3.507 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(C)C ZINC000438983071 1023191456 /nfs/dbraw/zinc/19/14/56/1023191456.db2.gz GRRYNPCAHMGUSM-GXTWGEPZSA-N 1 2 349.276 3.990 20 0 EHADLO Cc1ccc(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c(C)c1 ZINC000510811387 1023206321 /nfs/dbraw/zinc/20/63/21/1023206321.db2.gz KONHLECUMRENCP-UHFFFAOYSA-N 1 2 333.435 3.770 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2ccccc2C)c(C)c1 ZINC000441491112 1023231274 /nfs/dbraw/zinc/23/12/74/1023231274.db2.gz RTOOILNAACQZCD-OAQYLSRUSA-N 1 2 347.462 3.909 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000510824116 1023231750 /nfs/dbraw/zinc/23/17/50/1023231750.db2.gz BFKICXQBQKDMCT-BRSBDYLESA-N 1 2 329.488 3.629 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(C(C)C)c1C ZINC000507290047 1023235674 /nfs/dbraw/zinc/23/56/74/1023235674.db2.gz OZAJJDMMLASWGW-UHFFFAOYSA-N 1 2 330.476 3.689 20 0 EHADLO Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1c[nH+]c(C)cc1C)CCC2 ZINC000459079854 1023241844 /nfs/dbraw/zinc/24/18/44/1023241844.db2.gz OYKHKGCISYMLLM-MRXNPFEDSA-N 1 2 344.484 3.682 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000536418785 1023241865 /nfs/dbraw/zinc/24/18/65/1023241865.db2.gz CUHDTMGXQCVLEQ-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000536418785 1023241873 /nfs/dbraw/zinc/24/18/73/1023241873.db2.gz CUHDTMGXQCVLEQ-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000507339861 1023255912 /nfs/dbraw/zinc/25/59/12/1023255912.db2.gz NNKLIWBZFUOTRA-LPHOPBHVSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000507339861 1023255918 /nfs/dbraw/zinc/25/59/18/1023255918.db2.gz NNKLIWBZFUOTRA-LPHOPBHVSA-N 1 2 343.398 3.538 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC2CCCC2)c(C)c1 ZINC000441497523 1023272499 /nfs/dbraw/zinc/27/24/99/1023272499.db2.gz KCORYDUOIQBZSY-IBGZPJMESA-N 1 2 325.456 3.938 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431119917 1023281964 /nfs/dbraw/zinc/28/19/64/1023281964.db2.gz SKWMVGSUSXIGAL-IHPCNDPISA-N 1 2 341.426 3.754 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCC(F)(F)F)c(C)c1 ZINC000441502010 1023300802 /nfs/dbraw/zinc/30/08/02/1023300802.db2.gz QZNAGQOHKVIABG-HNNXBMFYSA-N 1 2 339.361 3.700 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)n2)cc1 ZINC000190568459 1023303586 /nfs/dbraw/zinc/30/35/86/1023303586.db2.gz OZWRUCHTVOALPB-CYBMUJFWSA-N 1 2 345.443 3.696 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431127146 1023307675 /nfs/dbraw/zinc/30/76/75/1023307675.db2.gz OLXBXRHTASAKEX-IHPCNDPISA-N 1 2 341.426 3.836 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510883702 1023346191 /nfs/dbraw/zinc/34/61/91/1023346191.db2.gz RCWJSYUDVLYKRG-MRXNPFEDSA-N 1 2 344.503 3.792 20 0 EHADLO COc1cccc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)c1 ZINC000180904646 1023520947 /nfs/dbraw/zinc/52/09/47/1023520947.db2.gz QZBUMELVJJJUSG-OAHLLOKOSA-N 1 2 337.423 3.720 20 0 EHADLO c1ccc(-n2nc(C[N@@H+]3CCOCC34CCCC4)c3c2CCC3)cc1 ZINC000535679867 1023551711 /nfs/dbraw/zinc/55/17/11/1023551711.db2.gz KWOCGGSVNXHOEF-UHFFFAOYSA-N 1 2 337.467 3.506 20 0 EHADLO c1ccc(-n2nc(C[N@H+]3CCOCC34CCCC4)c3c2CCC3)cc1 ZINC000535679867 1023551715 /nfs/dbraw/zinc/55/17/15/1023551715.db2.gz KWOCGGSVNXHOEF-UHFFFAOYSA-N 1 2 337.467 3.506 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000302629244 1033142843 /nfs/dbraw/zinc/14/28/43/1033142843.db2.gz BBJYNNIWMWWVLF-LJQANCHMSA-N 1 2 340.492 3.602 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000302629244 1033142850 /nfs/dbraw/zinc/14/28/50/1033142850.db2.gz BBJYNNIWMWWVLF-LJQANCHMSA-N 1 2 340.492 3.602 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458121881 1023592178 /nfs/dbraw/zinc/59/21/78/1023592178.db2.gz IBQSXIJOUXUNGC-AZUAARDMSA-N 1 2 349.478 3.980 20 0 EHADLO CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC000535774556 1023624008 /nfs/dbraw/zinc/62/40/08/1023624008.db2.gz OCWLWNDANHNDDX-ZDUSSCGKSA-N 1 2 332.473 3.673 20 0 EHADLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000535784577 1023631920 /nfs/dbraw/zinc/63/19/20/1023631920.db2.gz SGWZEXLJTWCLAO-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143417821 1023685952 /nfs/dbraw/zinc/68/59/52/1023685952.db2.gz LICHPBOFQKRYEH-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143417821 1023685957 /nfs/dbraw/zinc/68/59/57/1023685957.db2.gz LICHPBOFQKRYEH-AWEZNQCLSA-N 1 2 347.287 3.830 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(F)cc1Nc1ccccc1F ZINC000341918877 1023697103 /nfs/dbraw/zinc/69/71/03/1023697103.db2.gz GFYLRXVTCRTXPM-UHFFFAOYSA-N 1 2 342.349 3.934 20 0 EHADLO CC(C)CC[C@@H](O)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000684606136 1023720451 /nfs/dbraw/zinc/72/04/51/1023720451.db2.gz GHQSPGGZRNUCTC-GFCCVEGCSA-N 1 2 332.307 3.666 20 0 EHADLO CC(C)CC[C@@H](O)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000684606136 1023720456 /nfs/dbraw/zinc/72/04/56/1023720456.db2.gz GHQSPGGZRNUCTC-GFCCVEGCSA-N 1 2 332.307 3.666 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000341997216 1023756964 /nfs/dbraw/zinc/75/69/64/1023756964.db2.gz WFNZSZRCHSWJIM-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000341997216 1023756970 /nfs/dbraw/zinc/75/69/70/1023756970.db2.gz WFNZSZRCHSWJIM-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO Cc1noc(C[C@H]([NH2+][C@H](C)c2csc(C)n2)c2ccccc2)n1 ZINC000277093535 1023757795 /nfs/dbraw/zinc/75/77/95/1023757795.db2.gz KUTBBTRXYYWHQW-ABAIWWIYSA-N 1 2 328.441 3.778 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@@]1=O ZINC000277142952 1023828535 /nfs/dbraw/zinc/82/85/35/1023828535.db2.gz JEVKLKCOJLELJT-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@@]1=O ZINC000277142952 1023828544 /nfs/dbraw/zinc/82/85/44/1023828544.db2.gz JEVKLKCOJLELJT-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCc3sccc3[C@@H]2CC)s1 ZINC000602764798 1033164872 /nfs/dbraw/zinc/16/48/72/1033164872.db2.gz XZCYECTULQBVBP-ZDUSSCGKSA-N 1 2 336.482 3.891 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCc3sccc3[C@@H]2CC)s1 ZINC000602764798 1033164883 /nfs/dbraw/zinc/16/48/83/1033164883.db2.gz XZCYECTULQBVBP-ZDUSSCGKSA-N 1 2 336.482 3.891 20 0 EHADLO CCc1nnc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)[nH]1 ZINC000342076634 1023863247 /nfs/dbraw/zinc/86/32/47/1023863247.db2.gz YIHIJEXXBFXRAC-UHFFFAOYSA-N 1 2 338.480 3.598 20 0 EHADLO CCc1nnc(C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)[nH]1 ZINC000342076634 1023863250 /nfs/dbraw/zinc/86/32/50/1023863250.db2.gz YIHIJEXXBFXRAC-UHFFFAOYSA-N 1 2 338.480 3.598 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884118 1023941470 /nfs/dbraw/zinc/94/14/70/1023941470.db2.gz AYPBXMLXDUKWFC-GMLZMKKNSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884118 1023941472 /nfs/dbraw/zinc/94/14/72/1023941472.db2.gz AYPBXMLXDUKWFC-GMLZMKKNSA-N 1 2 338.854 3.777 20 0 EHADLO COC(=O)c1ccc(Nc2ccn3cc[nH+]c3c2)c(Br)c1 ZINC001204990928 1023962719 /nfs/dbraw/zinc/96/27/19/1023962719.db2.gz JJANXJBHVXTJOC-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO C[N@@H+]1CCC[C@@H](Oc2c(Br)cccc2Br)C1 ZINC001226841335 1023968136 /nfs/dbraw/zinc/96/81/36/1023968136.db2.gz ORXFYDLYFPXTCG-SECBINFHSA-N 1 2 349.066 3.685 20 0 EHADLO C[N@H+]1CCC[C@@H](Oc2c(Br)cccc2Br)C1 ZINC001226841335 1023968142 /nfs/dbraw/zinc/96/81/42/1023968142.db2.gz ORXFYDLYFPXTCG-SECBINFHSA-N 1 2 349.066 3.685 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2cccnc21 ZINC000046467992 1033176210 /nfs/dbraw/zinc/17/62/10/1033176210.db2.gz WHVGATYAZPGFTI-INIZCTEOSA-N 1 2 337.427 3.668 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000346027874 1023976106 /nfs/dbraw/zinc/97/61/06/1023976106.db2.gz GQOPKLHWIYJFNQ-UHFFFAOYSA-N 1 2 338.436 3.587 20 0 EHADLO CC(C)c1ccc(SCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000475017789 1023987789 /nfs/dbraw/zinc/98/77/89/1023987789.db2.gz SBPCTWVOCDLVIM-UHFFFAOYSA-N 1 2 339.464 3.866 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459109236 1024000206 /nfs/dbraw/zinc/00/02/06/1024000206.db2.gz DUKBFVXYOFMXST-IAGOWNOFSA-N 1 2 346.519 3.967 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459111402 1024005624 /nfs/dbraw/zinc/00/56/24/1024005624.db2.gz GFIBTFVFDWDMFJ-DLBZAZTESA-N 1 2 332.492 3.836 20 0 EHADLO O=C(CCCc1ccccc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513993830 1024021941 /nfs/dbraw/zinc/02/19/41/1024021941.db2.gz GBVYDXXARMWTQE-IBGZPJMESA-N 1 2 342.870 3.836 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513986949 1024032618 /nfs/dbraw/zinc/03/26/18/1024032618.db2.gz GQFRLJFTPQXZSD-GOSISDBHSA-N 1 2 328.843 3.744 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCOC[C@H](C)C1 ZINC000513987975 1024034156 /nfs/dbraw/zinc/03/41/56/1024034156.db2.gz SCSPARZPSVOKDE-CQSZACIVSA-N 1 2 342.439 3.501 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000434475615 1024067100 /nfs/dbraw/zinc/06/71/00/1024067100.db2.gz ZULXICCTZUIQAA-UHFFFAOYSA-N 1 2 344.846 3.706 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(CC(F)(F)F)cc3)[nH+]c12 ZINC000607531023 1033182260 /nfs/dbraw/zinc/18/22/60/1033182260.db2.gz FKNQYOGOIYBZOY-UHFFFAOYSA-N 1 2 347.340 3.929 20 0 EHADLO Cc1cccc(Nc2ccccc2C(=O)N2CC(n3cc[nH+]c3)C2)c1C ZINC000522258570 1024118376 /nfs/dbraw/zinc/11/83/76/1024118376.db2.gz OYEFZISXJTUHPC-UHFFFAOYSA-N 1 2 346.434 3.941 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000514119044 1024163540 /nfs/dbraw/zinc/16/35/40/1024163540.db2.gz QIXFQBXNMIVIDA-GXTWGEPZSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000514119044 1024163547 /nfs/dbraw/zinc/16/35/47/1024163547.db2.gz QIXFQBXNMIVIDA-GXTWGEPZSA-N 1 2 337.769 3.626 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CCCCC1 ZINC000514155606 1024187646 /nfs/dbraw/zinc/18/76/46/1024187646.db2.gz JBXITFBENDPRGH-ROUUACIJSA-N 1 2 343.515 3.893 20 0 EHADLO COc1cccc(CCC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000550524848 1024194961 /nfs/dbraw/zinc/19/49/61/1024194961.db2.gz LMNXYHWTXVEGKV-UHFFFAOYSA-N 1 2 333.435 3.829 20 0 EHADLO COc1cccc(CCC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000550524848 1024194968 /nfs/dbraw/zinc/19/49/68/1024194968.db2.gz LMNXYHWTXVEGKV-UHFFFAOYSA-N 1 2 333.435 3.829 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329793903 1024198493 /nfs/dbraw/zinc/19/84/93/1024198493.db2.gz FUWNECKHZGPVML-UHFFFAOYSA-N 1 2 344.484 3.852 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C ZINC000324123365 1024222693 /nfs/dbraw/zinc/22/26/93/1024222693.db2.gz ISWGTVNJYHUOMX-OAHLLOKOSA-N 1 2 330.394 3.970 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C ZINC000324123365 1024222707 /nfs/dbraw/zinc/22/27/07/1024222707.db2.gz ISWGTVNJYHUOMX-OAHLLOKOSA-N 1 2 330.394 3.970 20 0 EHADLO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(C3CCCC3)no2)cc1F ZINC000192141612 1024235577 /nfs/dbraw/zinc/23/55/77/1024235577.db2.gz LKHPDINSOVVMLE-DOTOQJQBSA-N 1 2 349.381 3.625 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342146649 1024239184 /nfs/dbraw/zinc/23/91/84/1024239184.db2.gz DSWUQUOONLVLPJ-FQEVSTJZSA-N 1 2 331.419 3.895 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342146649 1024239200 /nfs/dbraw/zinc/23/92/00/1024239200.db2.gz DSWUQUOONLVLPJ-FQEVSTJZSA-N 1 2 331.419 3.895 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@@H](CC)c2ccccc2OC)s1 ZINC000602834635 1033197844 /nfs/dbraw/zinc/19/78/44/1033197844.db2.gz VGBAEDNTLHANGW-HNNXBMFYSA-N 1 2 348.468 3.912 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@@H](CC)c2ccccc2OC)s1 ZINC000602834635 1033197854 /nfs/dbraw/zinc/19/78/54/1033197854.db2.gz VGBAEDNTLHANGW-HNNXBMFYSA-N 1 2 348.468 3.912 20 0 EHADLO COCCCOc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349655869 1024287544 /nfs/dbraw/zinc/28/75/44/1024287544.db2.gz NSDAKZCIUKLEPD-UHFFFAOYSA-N 1 2 326.849 3.502 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000897835483 1033200833 /nfs/dbraw/zinc/20/08/33/1033200833.db2.gz FEPDNHKGCZXDPF-GOSISDBHSA-N 1 2 325.456 3.505 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000029027339 1024324278 /nfs/dbraw/zinc/32/42/78/1024324278.db2.gz IVCGFOTVELVLQC-UHFFFAOYSA-N 1 2 349.478 3.764 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425158654 1024347742 /nfs/dbraw/zinc/34/77/42/1024347742.db2.gz QXCGYMLMGYROBL-ROUUACIJSA-N 1 2 325.456 3.969 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000425176001 1024403329 /nfs/dbraw/zinc/40/33/29/1024403329.db2.gz BYZTUIAABKLPLV-VAMGGRTRSA-N 1 2 345.446 3.679 20 0 EHADLO CN(CCc1cccs1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425185955 1024421157 /nfs/dbraw/zinc/42/11/57/1024421157.db2.gz MQHVJCLUHGXSNT-QGZVFWFLSA-N 1 2 339.464 3.694 20 0 EHADLO CCC[C@H]1SCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194774 1024425175 /nfs/dbraw/zinc/42/51/75/1024425175.db2.gz RERXAPGHRRAZHA-NVXWUHKLSA-N 1 2 329.469 3.633 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505529230 1024440575 /nfs/dbraw/zinc/44/05/75/1024440575.db2.gz FWKQHKMANOFRQU-UZLBHIALSA-N 1 2 340.442 3.883 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614656546 1024459815 /nfs/dbraw/zinc/45/98/15/1024459815.db2.gz CRNWOJIVYJUQOX-MSOLQXFVSA-N 1 2 339.483 4.000 20 0 EHADLO CCc1cnc(C[N@@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)s1 ZINC000346170806 1024484598 /nfs/dbraw/zinc/48/45/98/1024484598.db2.gz JYZKFNAJIUUWMR-QGZVFWFLSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1cnc(C[N@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)s1 ZINC000346170806 1024484605 /nfs/dbraw/zinc/48/46/05/1024484605.db2.gz JYZKFNAJIUUWMR-QGZVFWFLSA-N 1 2 346.496 3.895 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CCN1CC(F)F ZINC000346172895 1024486798 /nfs/dbraw/zinc/48/67/98/1024486798.db2.gz TYGKJBSPCSGEEJ-OAHLLOKOSA-N 1 2 335.398 3.503 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CCN1CC(F)F ZINC000346172895 1024486809 /nfs/dbraw/zinc/48/68/09/1024486809.db2.gz TYGKJBSPCSGEEJ-OAHLLOKOSA-N 1 2 335.398 3.503 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000280965659 1024499636 /nfs/dbraw/zinc/49/96/36/1024499636.db2.gz AGDIRICIOYTDQF-IBGZPJMESA-N 1 2 341.434 3.524 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000425242664 1024508438 /nfs/dbraw/zinc/50/84/38/1024508438.db2.gz CRTSUOQRANMBBQ-LULLPPNCSA-N 1 2 337.467 3.969 20 0 EHADLO CCOc1c(Cl)cc(C[N@H+](C)Cc2ccns2)cc1OC ZINC000895453795 1024510765 /nfs/dbraw/zinc/51/07/65/1024510765.db2.gz OWDWKUMDLQJBBX-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccns2)cc1OC ZINC000895453795 1024510772 /nfs/dbraw/zinc/51/07/72/1024510772.db2.gz OWDWKUMDLQJBBX-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO CCOC(=O)c1sc(/C=C\c2c[nH+]c3ccc(C)cn23)nc1C ZINC000434938920 1024517391 /nfs/dbraw/zinc/51/73/91/1024517391.db2.gz QPRROTPCYCTLEH-VURMDHGXSA-N 1 2 327.409 3.755 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459163337 1024522051 /nfs/dbraw/zinc/52/20/51/1024522051.db2.gz BEYFHZPQKSMSIK-UHFFFAOYSA-N 1 2 348.878 3.628 20 0 EHADLO c1cn(-c2cccc(CNc3cncc(-c4ccccc4)n3)c2)c[nH+]1 ZINC000346202566 1024524698 /nfs/dbraw/zinc/52/46/98/1024524698.db2.gz IWMZQCXGIJCOQO-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO CSCCCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425257438 1024531427 /nfs/dbraw/zinc/53/14/27/1024531427.db2.gz QWPSSGXRPNUPMM-MRXNPFEDSA-N 1 2 331.485 3.581 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1CCOc2ccccc2[C@@H]1C ZINC000684679373 1024536219 /nfs/dbraw/zinc/53/62/19/1024536219.db2.gz MZMFRGTXJOAALS-INIZCTEOSA-N 1 2 349.434 3.837 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000684679373 1024536226 /nfs/dbraw/zinc/53/62/26/1024536226.db2.gz MZMFRGTXJOAALS-INIZCTEOSA-N 1 2 349.434 3.837 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@H]1F ZINC001143428765 1024557113 /nfs/dbraw/zinc/55/71/13/1024557113.db2.gz NDIPPVSYNFGTCZ-VXGBXAGGSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@H]1F ZINC001143428765 1024557121 /nfs/dbraw/zinc/55/71/21/1024557121.db2.gz NDIPPVSYNFGTCZ-VXGBXAGGSA-N 1 2 341.732 3.533 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1c[nH+]c2ccc(C)cn12 ZINC000435036134 1024559048 /nfs/dbraw/zinc/55/90/48/1024559048.db2.gz SWLWZGDVJOMWLZ-OALUTQOASA-N 1 2 349.434 3.521 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C)ccc1F ZINC000505595152 1024590301 /nfs/dbraw/zinc/59/03/01/1024590301.db2.gz BJYYJQKCSOWLEL-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C)ccc1F ZINC000505595152 1024590313 /nfs/dbraw/zinc/59/03/13/1024590313.db2.gz BJYYJQKCSOWLEL-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO CCc1cc(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2[nH]1 ZINC000665185672 1024596227 /nfs/dbraw/zinc/59/62/27/1024596227.db2.gz KBUDEDGJINKWIZ-UHFFFAOYSA-N 1 2 348.446 3.590 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895575010 1024620609 /nfs/dbraw/zinc/62/06/09/1024620609.db2.gz RLLZYHLPAZHEBV-CYBMUJFWSA-N 1 2 334.725 3.634 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895575010 1024620613 /nfs/dbraw/zinc/62/06/13/1024620613.db2.gz RLLZYHLPAZHEBV-CYBMUJFWSA-N 1 2 334.725 3.634 20 0 EHADLO CC1=C(C)C[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000614668888 1024632730 /nfs/dbraw/zinc/63/27/30/1024632730.db2.gz JGXNQQLYROQFAQ-QGZVFWFLSA-N 1 2 347.528 3.744 20 0 EHADLO CC1=C(C)C[C@@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000614668885 1024633658 /nfs/dbraw/zinc/63/36/58/1024633658.db2.gz JGXNQQLYROQFAQ-KRWDZBQOSA-N 1 2 347.528 3.744 20 0 EHADLO COc1ccccc1OCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653179887 1024640099 /nfs/dbraw/zinc/64/00/99/1024640099.db2.gz XCHJSQUJUYPPDU-UHFFFAOYSA-N 1 2 343.427 3.606 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895601678 1024645652 /nfs/dbraw/zinc/64/56/52/1024645652.db2.gz PANSWWSVHMSCOZ-UHFFFAOYSA-N 1 2 325.865 3.690 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000346352186 1024645700 /nfs/dbraw/zinc/64/57/00/1024645700.db2.gz GVTFZNIYXZUILG-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO CCOC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204738600 1024650213 /nfs/dbraw/zinc/65/02/13/1024650213.db2.gz JZELXNBTZVWLFX-UHFFFAOYSA-N 1 2 348.830 3.874 20 0 EHADLO C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[C@@H]1C ZINC000346382008 1024671016 /nfs/dbraw/zinc/67/10/16/1024671016.db2.gz GVSVXZAUSPSIJH-KBPBESRZSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccnn2C2CCC2)[C@@H](C)CO1 ZINC000892098775 1024680570 /nfs/dbraw/zinc/68/05/70/1024680570.db2.gz PCQCXLLCGJONIB-JXFKEZNVSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccnn2C2CCC2)[C@@H](C)CO1 ZINC000892098775 1024680582 /nfs/dbraw/zinc/68/05/82/1024680582.db2.gz PCQCXLLCGJONIB-JXFKEZNVSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000474275910 1024681501 /nfs/dbraw/zinc/68/15/01/1024681501.db2.gz PWLFAAZWXHKQGQ-UHFFFAOYSA-N 1 2 328.847 3.805 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000474275910 1024681515 /nfs/dbraw/zinc/68/15/15/1024681515.db2.gz PWLFAAZWXHKQGQ-UHFFFAOYSA-N 1 2 328.847 3.805 20 0 EHADLO COc1cncc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885171 1024695053 /nfs/dbraw/zinc/69/50/53/1024695053.db2.gz LUWOFMSDSWKBCU-SJORKVTESA-N 1 2 336.395 3.696 20 0 EHADLO C[C@@H]1CCC[C@H](c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000546353011 1024695752 /nfs/dbraw/zinc/69/57/52/1024695752.db2.gz ZYUOCOWDYCQBPB-NJAFHUGGSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@@H]1CCC[C@H](c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000546353011 1024695757 /nfs/dbraw/zinc/69/57/57/1024695757.db2.gz ZYUOCOWDYCQBPB-NJAFHUGGSA-N 1 2 341.455 3.937 20 0 EHADLO CC(C)COc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342277296 1024697302 /nfs/dbraw/zinc/69/73/02/1024697302.db2.gz CKWWCUFPQWZKIX-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO CC(C)Oc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)nc1 ZINC000346393245 1024710581 /nfs/dbraw/zinc/71/05/81/1024710581.db2.gz PZKFTNPCARDCEQ-UHFFFAOYSA-N 1 2 347.378 3.772 20 0 EHADLO COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)o1 ZINC000895692793 1024726993 /nfs/dbraw/zinc/72/69/93/1024726993.db2.gz WNABIBKHPWKBBQ-NXTRDGOMSA-N 1 2 329.371 3.581 20 0 EHADLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000281189085 1024731352 /nfs/dbraw/zinc/73/13/52/1024731352.db2.gz RFWRXDWYWVOQFA-OAHLLOKOSA-N 1 2 338.224 3.659 20 0 EHADLO Cc1ccsc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474319825 1024741118 /nfs/dbraw/zinc/74/11/18/1024741118.db2.gz YRBNGAGPAFWBNF-KRWDZBQOSA-N 1 2 346.471 3.867 20 0 EHADLO Cc1ccsc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474319825 1024741132 /nfs/dbraw/zinc/74/11/32/1024741132.db2.gz YRBNGAGPAFWBNF-KRWDZBQOSA-N 1 2 346.471 3.867 20 0 EHADLO CC[C@H](C)Oc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000346468161 1024754613 /nfs/dbraw/zinc/75/46/13/1024754613.db2.gz LMINVAPLPAJTJF-AWEZNQCLSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)(CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC1 ZINC000425319861 1024757105 /nfs/dbraw/zinc/75/71/05/1024757105.db2.gz WPKCKFSFAVWBAZ-QGZVFWFLSA-N 1 2 325.456 3.874 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482994 1024769274 /nfs/dbraw/zinc/76/92/74/1024769274.db2.gz KKEGZLAEWLEJHM-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346482994 1024769285 /nfs/dbraw/zinc/76/92/85/1024769285.db2.gz KKEGZLAEWLEJHM-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2c(c1)OCO2 ZINC000281251174 1024786734 /nfs/dbraw/zinc/78/67/34/1024786734.db2.gz XFXCLSYEUSCQRP-MRVPVSSYSA-N 1 2 327.277 3.823 20 0 EHADLO CC(C)n1cncc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000425332595 1024790075 /nfs/dbraw/zinc/79/00/75/1024790075.db2.gz DLXSAWQMMNMEAK-UHFFFAOYSA-N 1 2 342.270 3.765 20 0 EHADLO CC(C)n1cncc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000425332595 1024790087 /nfs/dbraw/zinc/79/00/87/1024790087.db2.gz DLXSAWQMMNMEAK-UHFFFAOYSA-N 1 2 342.270 3.765 20 0 EHADLO Cc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc(F)c1F ZINC001143597536 1033237073 /nfs/dbraw/zinc/23/70/73/1033237073.db2.gz RLZAWZNYDAVEIM-UHFFFAOYSA-N 1 2 340.414 3.716 20 0 EHADLO Cc1cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc(F)c1F ZINC001143597536 1033237084 /nfs/dbraw/zinc/23/70/84/1033237084.db2.gz RLZAWZNYDAVEIM-UHFFFAOYSA-N 1 2 340.414 3.716 20 0 EHADLO Fc1c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)cccc1OC1CC1 ZINC000657305074 1024835996 /nfs/dbraw/zinc/83/59/96/1024835996.db2.gz UUGHMXNFOUGWLG-UHFFFAOYSA-N 1 2 345.805 3.958 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000157312322 1024860578 /nfs/dbraw/zinc/86/05/78/1024860578.db2.gz PZTJGWYVLIIRPQ-VIFPVBQESA-N 1 2 348.419 3.502 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cnc12 ZINC000425364436 1024862972 /nfs/dbraw/zinc/86/29/72/1024862972.db2.gz GMSYLGXBPKYFER-QZTJIDSGSA-N 1 2 341.842 3.604 20 0 EHADLO Cc1cccn2c(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cnc12 ZINC000425364436 1024862984 /nfs/dbraw/zinc/86/29/84/1024862984.db2.gz GMSYLGXBPKYFER-QZTJIDSGSA-N 1 2 341.842 3.604 20 0 EHADLO Cc1nn(C)c(C)c1C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346564022 1024868556 /nfs/dbraw/zinc/86/85/56/1024868556.db2.gz PSHDIEJWOAXXEO-LJQANCHMSA-N 1 2 342.393 3.589 20 0 EHADLO Cn1ncc(C[N@H+](Cc2cccs2)Cc2ccncc2)c1C1CC1 ZINC000897929586 1033242107 /nfs/dbraw/zinc/24/21/07/1033242107.db2.gz YPPXUXPVPHCGHX-UHFFFAOYSA-N 1 2 338.480 3.956 20 0 EHADLO Cn1ncc(C[N@@H+](Cc2cccs2)Cc2ccncc2)c1C1CC1 ZINC000897929586 1033242121 /nfs/dbraw/zinc/24/21/21/1033242121.db2.gz YPPXUXPVPHCGHX-UHFFFAOYSA-N 1 2 338.480 3.956 20 0 EHADLO COc1c(Cl)cccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105017115 1024875774 /nfs/dbraw/zinc/87/57/74/1024875774.db2.gz QESFHICQCAQIRT-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC000342322163 1024876366 /nfs/dbraw/zinc/87/63/66/1024876366.db2.gz GYKYNDFXYINEOH-SECBINFHSA-N 1 2 347.362 3.686 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000441820609 1024878324 /nfs/dbraw/zinc/87/83/24/1024878324.db2.gz ZJSLVVANHAGCOD-GOEBONIOSA-N 1 2 340.870 3.727 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000353845798 1024879983 /nfs/dbraw/zinc/87/99/83/1024879983.db2.gz NPHPNOKMEXJHKN-LBPRGKRZSA-N 1 2 338.167 3.689 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000353845798 1024879998 /nfs/dbraw/zinc/87/99/98/1024879998.db2.gz NPHPNOKMEXJHKN-LBPRGKRZSA-N 1 2 338.167 3.689 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000895838216 1024882194 /nfs/dbraw/zinc/88/21/94/1024882194.db2.gz VARUWYUCTZTEGN-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000895838216 1024882208 /nfs/dbraw/zinc/88/22/08/1024882208.db2.gz VARUWYUCTZTEGN-SNVBAGLBSA-N 1 2 333.297 3.514 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000425374419 1024885512 /nfs/dbraw/zinc/88/55/12/1024885512.db2.gz XEYOZMGNVMBLIW-APWZRJJASA-N 1 2 335.369 3.573 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000425374419 1024885520 /nfs/dbraw/zinc/88/55/20/1024885520.db2.gz XEYOZMGNVMBLIW-APWZRJJASA-N 1 2 335.369 3.573 20 0 EHADLO O=C(CO[C@H]1CCCc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000435406930 1024886940 /nfs/dbraw/zinc/88/69/40/1024886940.db2.gz WRWZTVZXYXKMFE-FQEVSTJZSA-N 1 2 347.418 3.905 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccc(F)cc3F)ccc2[nH+]1 ZINC000346549950 1024888453 /nfs/dbraw/zinc/88/84/53/1024888453.db2.gz RTNHYCGVHYRDFK-UHFFFAOYSA-N 1 2 330.338 3.585 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2c1 ZINC000346550854 1024889576 /nfs/dbraw/zinc/88/95/76/1024889576.db2.gz RVSPHQWMYYMLEJ-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)s1 ZINC000346551031 1024890449 /nfs/dbraw/zinc/89/04/49/1024890449.db2.gz GJQUSQHPQHSZQH-KRWDZBQOSA-N 1 2 328.416 3.568 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000895858735 1024915994 /nfs/dbraw/zinc/91/59/94/1024915994.db2.gz KMZGZOCXBPIJHT-GFCCVEGCSA-N 1 2 339.361 3.823 20 0 EHADLO Cc1nc2ccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2s1 ZINC000105350744 1024925879 /nfs/dbraw/zinc/92/58/79/1024925879.db2.gz RLIODRRHPYKWDT-UHFFFAOYSA-N 1 2 341.440 3.670 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(-c3nnco3)c2)n1-c1ccccc1 ZINC000327443092 1024926470 /nfs/dbraw/zinc/92/64/70/1024926470.db2.gz PQWFKTUQYMMKCB-UHFFFAOYSA-N 1 2 331.379 3.843 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157571630 1024958074 /nfs/dbraw/zinc/95/80/74/1024958074.db2.gz PAGKKVSRQKTPFK-LBPRGKRZSA-N 1 2 334.851 3.517 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474431924 1024960017 /nfs/dbraw/zinc/96/00/17/1024960017.db2.gz JSAAHFLLJMUNNI-HNNXBMFYSA-N 1 2 343.446 3.826 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474431924 1024960028 /nfs/dbraw/zinc/96/00/28/1024960028.db2.gz JSAAHFLLJMUNNI-HNNXBMFYSA-N 1 2 343.446 3.826 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157622350 1024981625 /nfs/dbraw/zinc/98/16/25/1024981625.db2.gz PNGVENVZBQESKN-AWEZNQCLSA-N 1 2 349.837 3.616 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157622350 1024981637 /nfs/dbraw/zinc/98/16/37/1024981637.db2.gz PNGVENVZBQESKN-AWEZNQCLSA-N 1 2 349.837 3.616 20 0 EHADLO C[C@@H](CC(=O)NC1CCC(C)(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000515062239 1024993055 /nfs/dbraw/zinc/99/30/55/1024993055.db2.gz DJCFZNQQUYPXNW-VQSBYGRUSA-N 1 2 325.456 3.851 20 0 EHADLO Cn1ncc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c1C1CC1 ZINC000895936418 1024994550 /nfs/dbraw/zinc/99/45/50/1024994550.db2.gz PSGFLZVMSIOCEC-UHFFFAOYSA-N 1 2 344.365 3.521 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000508283669 1025006090 /nfs/dbraw/zinc/00/60/90/1025006090.db2.gz HYTBOMMWDGTWCB-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000508283669 1025006094 /nfs/dbraw/zinc/00/60/94/1025006094.db2.gz HYTBOMMWDGTWCB-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000346728564 1025043149 /nfs/dbraw/zinc/04/31/49/1025043149.db2.gz LUAGKOZTODRHRR-ZDUSSCGKSA-N 1 2 343.818 3.537 20 0 EHADLO FC(F)c1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000425400788 1025061112 /nfs/dbraw/zinc/06/11/12/1025061112.db2.gz DHQCBZPDVMIJCZ-NSHDSACASA-N 1 2 327.762 3.868 20 0 EHADLO FC(F)c1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000425400788 1025061127 /nfs/dbraw/zinc/06/11/27/1025061127.db2.gz DHQCBZPDVMIJCZ-NSHDSACASA-N 1 2 327.762 3.868 20 0 EHADLO FC1(F)CC[C@H](c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)C1 ZINC000281466527 1025073368 /nfs/dbraw/zinc/07/33/68/1025073368.db2.gz RMPZQPKIMKXWMI-AWEZNQCLSA-N 1 2 330.338 3.884 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000281468495 1025078952 /nfs/dbraw/zinc/07/89/52/1025078952.db2.gz FDQNVGMTNCAOOA-IBGZPJMESA-N 1 2 337.471 3.996 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000281468495 1025078958 /nfs/dbraw/zinc/07/89/58/1025078958.db2.gz FDQNVGMTNCAOOA-IBGZPJMESA-N 1 2 337.471 3.996 20 0 EHADLO Cc1cc(NCc2ccnc(-c3ccccn3)n2)nc(C2CCC2)[nH+]1 ZINC000895145222 1025079286 /nfs/dbraw/zinc/07/92/86/1025079286.db2.gz SQYOFJJTRCDAHK-UHFFFAOYSA-N 1 2 332.411 3.517 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000435688340 1025081378 /nfs/dbraw/zinc/08/13/78/1025081378.db2.gz OFJYGCUZLJUKJE-VQIMIIECSA-N 1 2 346.434 3.633 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnn(-c3ccccc3)c2C2CC2)CCC1(F)F ZINC000639190866 1025088456 /nfs/dbraw/zinc/08/84/56/1025088456.db2.gz ZWRHTCUXJKUMRH-CYBMUJFWSA-N 1 2 332.398 3.622 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnn(-c3ccccc3)c2C2CC2)CCC1(F)F ZINC000639190866 1025088472 /nfs/dbraw/zinc/08/84/72/1025088472.db2.gz ZWRHTCUXJKUMRH-CYBMUJFWSA-N 1 2 332.398 3.622 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C4CCC3CC4)n2)C1 ZINC000515232222 1025100169 /nfs/dbraw/zinc/10/01/69/1025100169.db2.gz OUUMCZKWPQODEI-LRVUVFPRSA-N 1 2 334.489 3.534 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C4CCC3CC4)n2)C1 ZINC000515232222 1025100179 /nfs/dbraw/zinc/10/01/79/1025100179.db2.gz OUUMCZKWPQODEI-LRVUVFPRSA-N 1 2 334.489 3.534 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@H](OC(C)C)c2ccccc2)n1 ZINC000428236808 1025103093 /nfs/dbraw/zinc/10/30/93/1025103093.db2.gz HEZRLAWFBLWEPR-WBVHZDCISA-N 1 2 347.459 3.765 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H](OC(C)C)c2ccccc2)n1 ZINC000428236808 1025103103 /nfs/dbraw/zinc/10/31/03/1025103103.db2.gz HEZRLAWFBLWEPR-WBVHZDCISA-N 1 2 347.459 3.765 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761052257 1033259734 /nfs/dbraw/zinc/25/97/34/1033259734.db2.gz OEEVEEGINOGGGF-NWDGAFQWSA-N 1 2 325.334 3.990 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761052257 1033259744 /nfs/dbraw/zinc/25/97/44/1033259744.db2.gz OEEVEEGINOGGGF-NWDGAFQWSA-N 1 2 325.334 3.990 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000582060421 1025127452 /nfs/dbraw/zinc/12/74/52/1025127452.db2.gz IEKXGQCAITZIHQ-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000582060421 1025127459 /nfs/dbraw/zinc/12/74/59/1025127459.db2.gz IEKXGQCAITZIHQ-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO Cn1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1-c1ccccc1 ZINC000342390179 1025162063 /nfs/dbraw/zinc/16/20/63/1025162063.db2.gz BKARUFDTKMTGRK-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc(F)cc1F ZINC000053231596 1025205178 /nfs/dbraw/zinc/20/51/78/1025205178.db2.gz VTUGIFMRMALXTF-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc(F)cc1F ZINC000053231596 1025205187 /nfs/dbraw/zinc/20/51/87/1025205187.db2.gz VTUGIFMRMALXTF-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO CCOCCC[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000607729596 1033266604 /nfs/dbraw/zinc/26/66/04/1033266604.db2.gz WCENHYPQBAIDKD-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO CCOCCC[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000607729596 1033266625 /nfs/dbraw/zinc/26/66/25/1033266625.db2.gz WCENHYPQBAIDKD-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccncc1C(F)(F)F ZINC000435926110 1025212050 /nfs/dbraw/zinc/21/20/50/1025212050.db2.gz HOTDBCZPKZNPQI-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C(C)C)c(C)c1 ZINC000442229123 1025213448 /nfs/dbraw/zinc/21/34/48/1025213448.db2.gz ABFMRBOHCVLUNC-HKUYNNGSSA-N 1 2 342.487 3.927 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@H]3COc4cccc(Cl)c43)cn2)cc1 ZINC000342410186 1025256192 /nfs/dbraw/zinc/25/61/92/1025256192.db2.gz FCZJDMDWAPPOSY-INIZCTEOSA-N 1 2 343.789 3.888 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639219286 1025280417 /nfs/dbraw/zinc/28/04/17/1025280417.db2.gz GYNRKQQCUOUPNU-UHFFFAOYSA-N 1 2 327.350 3.772 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639219286 1025280427 /nfs/dbraw/zinc/28/04/27/1025280427.db2.gz GYNRKQQCUOUPNU-UHFFFAOYSA-N 1 2 327.350 3.772 20 0 EHADLO FC(F)Oc1ccc(Br)c(C[NH+]2CCSCC2)c1 ZINC000648000761 1025287840 /nfs/dbraw/zinc/28/78/40/1025287840.db2.gz BBNFMDVGYXDIMB-UHFFFAOYSA-N 1 2 338.217 3.599 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000281609207 1025293538 /nfs/dbraw/zinc/29/35/38/1025293538.db2.gz ZCSNIXDIIHWDRU-AUUYWEPGSA-N 1 2 337.398 3.899 20 0 EHADLO Cc1cc(F)ccc1C1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425443308 1025296772 /nfs/dbraw/zinc/29/67/72/1025296772.db2.gz JMXCQCRXWDERQJ-UHFFFAOYSA-N 1 2 325.334 3.834 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC000346923673 1025299675 /nfs/dbraw/zinc/29/96/75/1025299675.db2.gz VKKNTPQGIVNTOW-ZWKOTPCHSA-N 1 2 349.519 3.670 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000346916714 1025310056 /nfs/dbraw/zinc/31/00/56/1025310056.db2.gz SHTTZBZQZRVZCM-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(C)[nH]1)[C@@H](C1CCCCC1)C2 ZINC000428249853 1025314923 /nfs/dbraw/zinc/31/49/23/1025314923.db2.gz YOODMXPPWPUPHS-LJQANCHMSA-N 1 2 340.471 3.629 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1nnc(C)[nH]1)[C@@H](C1CCCCC1)C2 ZINC000428249853 1025314932 /nfs/dbraw/zinc/31/49/32/1025314932.db2.gz YOODMXPPWPUPHS-LJQANCHMSA-N 1 2 340.471 3.629 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cn(C)nc1Br ZINC000896282646 1025315653 /nfs/dbraw/zinc/31/56/53/1025315653.db2.gz RXKUHPYCBLSEET-UHFFFAOYSA-N 1 2 340.265 3.671 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000152207741 1025341031 /nfs/dbraw/zinc/34/10/31/1025341031.db2.gz NPZFEFXPPDUXCB-RVSPLBMKSA-N 1 2 346.500 3.915 20 0 EHADLO CCC1CCC(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000469745038 1025353253 /nfs/dbraw/zinc/35/32/53/1025353253.db2.gz OEZADDQLHCQXBR-BFWZDYSYSA-N 1 2 332.492 3.692 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000281676076 1025359904 /nfs/dbraw/zinc/35/99/04/1025359904.db2.gz LYAHVSIWFFSWDM-ZWNOBZJWSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000281676076 1025359919 /nfs/dbraw/zinc/35/99/19/1025359919.db2.gz LYAHVSIWFFSWDM-ZWNOBZJWSA-N 1 2 328.243 3.640 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)ccc(C)c1F ZINC000346967468 1025365057 /nfs/dbraw/zinc/36/50/57/1025365057.db2.gz JKKLACVMFFPWEA-UHFFFAOYSA-N 1 2 335.398 3.585 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2CCC(F)(F)CC2)n1 ZINC000758641471 1025366767 /nfs/dbraw/zinc/36/67/67/1025366767.db2.gz DDVNQWMMMONCTH-UHFFFAOYSA-N 1 2 331.432 3.749 20 0 EHADLO Cc1cccc(C[NH+](CCOC2CCC2)Cc2cccc(C)n2)n1 ZINC000346982816 1025382969 /nfs/dbraw/zinc/38/29/69/1025382969.db2.gz OFOJCMQNVGRGIC-UHFFFAOYSA-N 1 2 325.456 3.665 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C(C)C)n1 ZINC000346988763 1025390544 /nfs/dbraw/zinc/39/05/44/1025390544.db2.gz SPQAETKABWDGAE-UHFFFAOYSA-N 1 2 328.460 3.516 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H](CC)C(C)C)CC2)cc1 ZINC000521439421 1025391184 /nfs/dbraw/zinc/39/11/84/1025391184.db2.gz NKAYMSUAXMPILE-LJQANCHMSA-N 1 2 346.515 3.802 20 0 EHADLO CC(C)CC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660433 1025403764 /nfs/dbraw/zinc/40/37/64/1025403764.db2.gz ZIYRINMPOXAWRD-IAGOWNOFSA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)CC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660433 1025403770 /nfs/dbraw/zinc/40/37/70/1025403770.db2.gz ZIYRINMPOXAWRD-IAGOWNOFSA-N 1 2 336.426 3.653 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[NH+]1CCC2(CCO2)CC1 ZINC001141892708 1025434309 /nfs/dbraw/zinc/43/43/09/1025434309.db2.gz VKSPXTSNMGHACF-UHFFFAOYSA-N 1 2 348.643 3.997 20 0 EHADLO C[C@H]1[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1(F)F ZINC000436185320 1025437802 /nfs/dbraw/zinc/43/78/02/1025437802.db2.gz LRAXIEBKGYEISP-NHYWBVRUSA-N 1 2 331.366 3.726 20 0 EHADLO Cc1cc(C)c(/C=C\C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(C)c1 ZINC000639233794 1025449671 /nfs/dbraw/zinc/44/96/71/1025449671.db2.gz TYTBVDQATWBIDT-RDBXKPKDSA-N 1 2 347.524 3.526 20 0 EHADLO Cc1cc(C)c(/C=C\C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(C)c1 ZINC000639233794 1025449677 /nfs/dbraw/zinc/44/96/77/1025449677.db2.gz TYTBVDQATWBIDT-RDBXKPKDSA-N 1 2 347.524 3.526 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000684776465 1025452479 /nfs/dbraw/zinc/45/24/79/1025452479.db2.gz DLWLCGUZJFYUFT-SWLSCSKDSA-N 1 2 338.238 3.642 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000451063146 1025488701 /nfs/dbraw/zinc/48/87/01/1025488701.db2.gz LJWGYXLLIDLHRY-LBPRGKRZSA-N 1 2 336.844 3.573 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000451063146 1025488709 /nfs/dbraw/zinc/48/87/09/1025488709.db2.gz LJWGYXLLIDLHRY-LBPRGKRZSA-N 1 2 336.844 3.573 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2(C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000548699602 1025489687 /nfs/dbraw/zinc/48/96/87/1025489687.db2.gz CMGWEZHRHSORCR-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO Fc1cncc([C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C2CC2)c1 ZINC000281814055 1025519619 /nfs/dbraw/zinc/51/96/19/1025519619.db2.gz ZEXJRDXPCXNCOC-KRWDZBQOSA-N 1 2 340.427 3.980 20 0 EHADLO CCC[N@H+](Cc1cnccc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000347122948 1025543237 /nfs/dbraw/zinc/54/32/37/1025543237.db2.gz IEIGTCQLRUSHDS-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cnccc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000347122948 1025543245 /nfs/dbraw/zinc/54/32/45/1025543245.db2.gz IEIGTCQLRUSHDS-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1CCCc2ccccc21 ZINC000515736121 1025548952 /nfs/dbraw/zinc/54/89/52/1025548952.db2.gz QZCGJZWDFSGTQQ-KBPBESRZSA-N 1 2 344.405 3.983 20 0 EHADLO COc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000436299088 1025563127 /nfs/dbraw/zinc/56/31/27/1025563127.db2.gz IRTBLQJLTRHGMN-UHFFFAOYSA-N 1 2 334.423 3.902 20 0 EHADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000607714974 1033290869 /nfs/dbraw/zinc/29/08/69/1033290869.db2.gz URCQTQNNQQHZIR-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CSc1cccnc1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000347147736 1025572490 /nfs/dbraw/zinc/57/24/90/1025572490.db2.gz SKZCRLBLYMNEBT-UHFFFAOYSA-N 1 2 349.419 3.765 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000425513164 1025575487 /nfs/dbraw/zinc/57/54/87/1025575487.db2.gz OJXWEMAWTUEHOG-UHFFFAOYSA-N 1 2 334.851 3.608 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)NC3CCCCCC3)c2c1 ZINC000505792104 1025579200 /nfs/dbraw/zinc/57/92/00/1025579200.db2.gz BKVUQFCXBGGDPA-UHFFFAOYSA-N 1 2 342.439 3.770 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000515775683 1025585185 /nfs/dbraw/zinc/58/51/85/1025585185.db2.gz RHLRZIDHRVPQJX-KRWDZBQOSA-N 1 2 331.481 3.770 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000515775683 1025585197 /nfs/dbraw/zinc/58/51/97/1025585197.db2.gz RHLRZIDHRVPQJX-KRWDZBQOSA-N 1 2 331.481 3.770 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530281668 1025591604 /nfs/dbraw/zinc/59/16/04/1025591604.db2.gz GSTBZHRLKDCWAQ-RHSMWYFYSA-N 1 2 337.467 3.750 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530281668 1025591613 /nfs/dbraw/zinc/59/16/13/1025591613.db2.gz GSTBZHRLKDCWAQ-RHSMWYFYSA-N 1 2 337.467 3.750 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1c[nH]nc1-c1ccccc1)C2 ZINC000530288511 1025593181 /nfs/dbraw/zinc/59/31/81/1025593181.db2.gz CHWANTHBAVEOGS-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1c[nH]nc1-c1ccccc1)CC2 ZINC000530288511 1025593194 /nfs/dbraw/zinc/59/31/94/1025593194.db2.gz CHWANTHBAVEOGS-AWEZNQCLSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1scnc1C1CC1)C2 ZINC000530289515 1025595464 /nfs/dbraw/zinc/59/54/64/1025595464.db2.gz IZVYGKDXHBQVMF-LLVKDONJSA-N 1 2 330.457 3.611 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1scnc1C1CC1)CC2 ZINC000530289515 1025595473 /nfs/dbraw/zinc/59/54/73/1025595473.db2.gz IZVYGKDXHBQVMF-LLVKDONJSA-N 1 2 330.457 3.611 20 0 EHADLO CC(C)(C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1)c1c[nH+]c[nH]1 ZINC000347184249 1025629324 /nfs/dbraw/zinc/62/93/24/1025629324.db2.gz MPHPNLPRMNGYOR-CQSZACIVSA-N 1 2 349.887 3.734 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1nncn1C ZINC000347187702 1025634798 /nfs/dbraw/zinc/63/47/98/1025634798.db2.gz ZXTIKXBMUGRMFQ-ZDUSSCGKSA-N 1 2 348.319 3.599 20 0 EHADLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000329171556 1025644692 /nfs/dbraw/zinc/64/46/92/1025644692.db2.gz KOHMBXOGOJWPPF-HUUCEWRRSA-N 1 2 332.835 3.578 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCCCC1(F)F ZINC000451184822 1025656275 /nfs/dbraw/zinc/65/62/75/1025656275.db2.gz MFVBMSMSFWALIZ-CQSZACIVSA-N 1 2 327.419 3.510 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347196389 1025663209 /nfs/dbraw/zinc/66/32/09/1025663209.db2.gz AYOUHPCJZFOCLB-CABCVRRESA-N 1 2 329.469 3.544 20 0 EHADLO C[C@@H](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)CC(C)(C)C ZINC000443013049 1025664407 /nfs/dbraw/zinc/66/44/07/1025664407.db2.gz VEVZGWIBJHGHEL-HNNXBMFYSA-N 1 2 334.508 3.524 20 0 EHADLO Cc1csc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)n1 ZINC000281911257 1025669694 /nfs/dbraw/zinc/66/96/94/1025669694.db2.gz GGSBZCUSHREPSU-UHFFFAOYSA-N 1 2 340.474 3.545 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657375439 1025676144 /nfs/dbraw/zinc/67/61/44/1025676144.db2.gz ZDMOEZVOEKPXHL-UHFFFAOYSA-N 1 2 327.350 3.569 20 0 EHADLO CC[C@H](Nc1ncc(C)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436402240 1025683555 /nfs/dbraw/zinc/68/35/55/1025683555.db2.gz UXFHYMUCSWZJJN-DLBZAZTESA-N 1 2 331.485 3.543 20 0 EHADLO CC[C@H](Nc1ncc(C)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436402240 1025683560 /nfs/dbraw/zinc/68/35/60/1025683560.db2.gz UXFHYMUCSWZJJN-DLBZAZTESA-N 1 2 331.485 3.543 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612913 1025708823 /nfs/dbraw/zinc/70/88/23/1025708823.db2.gz LLBHHAWUKHXIQF-AAEUAGOBSA-N 1 2 343.349 3.751 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612913 1025708834 /nfs/dbraw/zinc/70/88/34/1025708834.db2.gz LLBHHAWUKHXIQF-AAEUAGOBSA-N 1 2 343.349 3.751 20 0 EHADLO COc1ccccc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000530366391 1025709244 /nfs/dbraw/zinc/70/92/44/1025709244.db2.gz ZPVXZJCAGJULHG-XHSDSOJGSA-N 1 2 341.455 3.877 20 0 EHADLO CCCCCc1ccc(C(=O)CCC(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000521839052 1025728132 /nfs/dbraw/zinc/72/81/32/1025728132.db2.gz QLKBSVBOKUEETQ-KRWDZBQOSA-N 1 2 344.499 3.545 20 0 EHADLO CCCCCc1ccc(C(=O)CCC(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000521839052 1025728147 /nfs/dbraw/zinc/72/81/47/1025728147.db2.gz QLKBSVBOKUEETQ-KRWDZBQOSA-N 1 2 344.499 3.545 20 0 EHADLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329291971 1025728597 /nfs/dbraw/zinc/72/85/97/1025728597.db2.gz NOMSERJNQLUREP-HUUCEWRRSA-N 1 2 332.835 3.578 20 0 EHADLO CCCCCc1ccc(C(=O)CCC(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000521839053 1025729228 /nfs/dbraw/zinc/72/92/28/1025729228.db2.gz QLKBSVBOKUEETQ-QGZVFWFLSA-N 1 2 344.499 3.545 20 0 EHADLO CCCCCc1ccc(C(=O)CCC(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000521839053 1025729245 /nfs/dbraw/zinc/72/92/45/1025729245.db2.gz QLKBSVBOKUEETQ-QGZVFWFLSA-N 1 2 344.499 3.545 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000451254307 1025729391 /nfs/dbraw/zinc/72/93/91/1025729391.db2.gz BQNXTJBSDWAWLU-KXBFYZLASA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000451254307 1025729402 /nfs/dbraw/zinc/72/94/02/1025729402.db2.gz BQNXTJBSDWAWLU-KXBFYZLASA-N 1 2 342.439 3.596 20 0 EHADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3)[nH+]cn2)C1 ZINC000413466051 1025740960 /nfs/dbraw/zinc/74/09/60/1025740960.db2.gz BHEWTGIYSQWCKP-UMVBOHGHSA-N 1 2 346.862 3.510 20 0 EHADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3)nc[nH+]2)C1 ZINC000413466051 1025740985 /nfs/dbraw/zinc/74/09/85/1025740985.db2.gz BHEWTGIYSQWCKP-UMVBOHGHSA-N 1 2 346.862 3.510 20 0 EHADLO CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563637 1025756270 /nfs/dbraw/zinc/75/62/70/1025756270.db2.gz DMRNKISRSUSYOJ-RDTXWAMCSA-N 1 2 341.455 3.886 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2c(C)nsc2C)C2CC2)c1 ZINC000521894232 1025765910 /nfs/dbraw/zinc/76/59/10/1025765910.db2.gz MRGZMBJTGAQNNB-UHFFFAOYSA-N 1 2 332.469 3.942 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2c(C)nsc2C)C2CC2)c1 ZINC000521894232 1025765931 /nfs/dbraw/zinc/76/59/31/1025765931.db2.gz MRGZMBJTGAQNNB-UHFFFAOYSA-N 1 2 332.469 3.942 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](CCCO)c2ccccc2)c(C)[nH+]1 ZINC000436500272 1025780633 /nfs/dbraw/zinc/78/06/33/1025780633.db2.gz ZBABJPPQVMHLGK-KRWDZBQOSA-N 1 2 327.428 3.642 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000051584589 1025810322 /nfs/dbraw/zinc/81/03/22/1025810322.db2.gz NWYQLUNEDJFZIW-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)oc1C ZINC000451306273 1025812112 /nfs/dbraw/zinc/81/21/12/1025812112.db2.gz MJNPIPUXNWQESJ-AWEZNQCLSA-N 1 2 328.334 3.524 20 0 EHADLO CC(C)c1ccc(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)cc1 ZINC000443216430 1025819128 /nfs/dbraw/zinc/81/91/28/1025819128.db2.gz BGITVZADQLAELP-MRXNPFEDSA-N 1 2 331.485 3.721 20 0 EHADLO CC(C)c1ccc(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)cc1 ZINC000443216430 1025819138 /nfs/dbraw/zinc/81/91/38/1025819138.db2.gz BGITVZADQLAELP-MRXNPFEDSA-N 1 2 331.485 3.721 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000474903601 1025833023 /nfs/dbraw/zinc/83/30/23/1025833023.db2.gz XINXPKNUGIEIJY-MSOLQXFVSA-N 1 2 329.488 3.905 20 0 EHADLO Clc1ccc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000281979279 1025857248 /nfs/dbraw/zinc/85/72/48/1025857248.db2.gz HMXRPJWPWGKLAI-HNNXBMFYSA-N 1 2 330.863 3.647 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(Oc2ccncc2)c1 ZINC000684821392 1025859006 /nfs/dbraw/zinc/85/90/06/1025859006.db2.gz SSUYSUMLQPKTHS-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCCc1nc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000522025610 1025881795 /nfs/dbraw/zinc/88/17/95/1025881795.db2.gz PDJZXSBTGHWKBF-CQSZACIVSA-N 1 2 344.402 3.938 20 0 EHADLO c1cn(-c2ccc(NCc3cnn(Cc4ccccc4)c3)cc2)c[nH+]1 ZINC000121840556 1025907887 /nfs/dbraw/zinc/90/78/87/1025907887.db2.gz FUJXQYCGXCDZSG-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C[C@@H]3C)nc(N)c2c1C ZINC000451402203 1025932380 /nfs/dbraw/zinc/93/23/80/1025932380.db2.gz ATDXYLRUZDZUDA-KWQFWETISA-N 1 2 342.365 3.585 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C[C@@H]3C)nc(N)c2c1C ZINC000451402203 1025932392 /nfs/dbraw/zinc/93/23/92/1025932392.db2.gz ATDXYLRUZDZUDA-KWQFWETISA-N 1 2 342.365 3.585 20 0 EHADLO CCOc1ccc(C[C@@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000665570547 1025954136 /nfs/dbraw/zinc/95/41/36/1025954136.db2.gz PIJLJABOPNYWKV-OAHLLOKOSA-N 1 2 326.440 3.592 20 0 EHADLO Clc1cccc([C@H]([NH2+]Cc2cnn3c2CCC3)c2ccccn2)c1 ZINC000657400536 1025965848 /nfs/dbraw/zinc/96/58/48/1025965848.db2.gz ZPMQJILGLGTAII-IBGZPJMESA-N 1 2 338.842 3.757 20 0 EHADLO COc1ccc2cc([C@H](C)C(=O)NCc3[nH]c(C)c(C)[nH+]3)ccc2c1 ZINC000896913544 1025968702 /nfs/dbraw/zinc/96/87/02/1025968702.db2.gz GIUNZPGSHBSSDB-LBPRGKRZSA-N 1 2 337.423 3.608 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccccc3C)C3CC3)[nH+]c12 ZINC000522114549 1025993395 /nfs/dbraw/zinc/99/33/95/1025993395.db2.gz TZUJVYAKCBJIPI-HXUWFJFHSA-N 1 2 333.435 3.761 20 0 EHADLO C/C(=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1C(F)(F)F ZINC000896919695 1026027010 /nfs/dbraw/zinc/02/70/10/1026027010.db2.gz YFGNWUFVUREQEY-NTMALXAHSA-N 1 2 337.345 3.765 20 0 EHADLO COC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443430792 1026034524 /nfs/dbraw/zinc/03/45/24/1026034524.db2.gz NDCMYQSOSCGKBC-UHFFFAOYSA-N 1 2 339.208 3.752 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)c2c(Cl)cccc2Cl)[nH+]c1C ZINC000896921480 1026039499 /nfs/dbraw/zinc/03/94/99/1026039499.db2.gz NONJZNJJMYRAHM-MRVPVSSYSA-N 1 2 326.227 3.753 20 0 EHADLO CC[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000443435925 1026040381 /nfs/dbraw/zinc/04/03/81/1026040381.db2.gz KQQFZPFTTAUHNI-SNVBAGLBSA-N 1 2 339.208 3.752 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000042297717 1026057247 /nfs/dbraw/zinc/05/72/47/1026057247.db2.gz ZQFSVKKPTDEXGM-HNNXBMFYSA-N 1 2 326.440 3.717 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000042297717 1026057262 /nfs/dbraw/zinc/05/72/62/1026057262.db2.gz ZQFSVKKPTDEXGM-HNNXBMFYSA-N 1 2 326.440 3.717 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(F)cccc1OC ZINC000191937544 1026072360 /nfs/dbraw/zinc/07/23/60/1026072360.db2.gz XOCJRWBRTORZPD-UHFFFAOYSA-N 1 2 348.422 3.537 20 0 EHADLO CO[C@@H]1CCCC[C@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820904 1026081170 /nfs/dbraw/zinc/08/11/70/1026081170.db2.gz MCVXNEADVAYEJJ-IAGOWNOFSA-N 1 2 338.411 3.519 20 0 EHADLO CO[C@@H](c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)C1CCCC1 ZINC000896820281 1026082063 /nfs/dbraw/zinc/08/20/63/1026082063.db2.gz BNSXMBWBVHXBFW-GOSISDBHSA-N 1 2 338.411 3.724 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C12CCC(CC1)C2 ZINC000342523100 1026085664 /nfs/dbraw/zinc/08/56/64/1026085664.db2.gz TWLIFVGBFSWWGG-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1O ZINC000436717616 1026087113 /nfs/dbraw/zinc/08/71/13/1026087113.db2.gz UELQEDPMCUNEDL-UHFFFAOYSA-N 1 2 345.402 3.868 20 0 EHADLO CCc1cc2c(ncnc2N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)s1 ZINC000895192594 1026088034 /nfs/dbraw/zinc/08/80/34/1026088034.db2.gz ISNBIQBAMOXCJQ-CQSZACIVSA-N 1 2 327.457 3.935 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(Cl)nc([C@H]3CCCO3)n2)[nH+]c1C ZINC000895195957 1026095395 /nfs/dbraw/zinc/09/53/95/1026095395.db2.gz GWWRHLULBCQRRC-CHWSQXEVSA-N 1 2 347.850 3.663 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cc3cc(Br)ccc3o2)n1 ZINC000516194762 1026105041 /nfs/dbraw/zinc/10/50/41/1026105041.db2.gz VMSJSMFETWAGHK-UHFFFAOYSA-N 1 2 334.217 3.702 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@@H](Cc3nccs3)C2)c(C)[nH+]1 ZINC000928281291 1026107328 /nfs/dbraw/zinc/10/73/28/1026107328.db2.gz WLFHIYQHAMEQOK-HNNXBMFYSA-N 1 2 329.469 3.558 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC000516218079 1026124684 /nfs/dbraw/zinc/12/46/84/1026124684.db2.gz ZUHNTYWXSVGZBY-SECBINFHSA-N 1 2 337.197 3.909 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC000516218079 1026124695 /nfs/dbraw/zinc/12/46/95/1026124695.db2.gz ZUHNTYWXSVGZBY-SECBINFHSA-N 1 2 337.197 3.909 20 0 EHADLO FC[C@@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCCO1 ZINC000413480915 1026131911 /nfs/dbraw/zinc/13/19/11/1026131911.db2.gz LOWUVLMNBYKLCD-CYBMUJFWSA-N 1 2 328.309 3.818 20 0 EHADLO c1c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)nnn1C1CCC1 ZINC000657419820 1026165753 /nfs/dbraw/zinc/16/57/53/1026165753.db2.gz YJOHYCRKGZMANK-UHFFFAOYSA-N 1 2 346.438 3.530 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(C2CC2)cc1Cl ZINC000655411870 1026179402 /nfs/dbraw/zinc/17/94/02/1026179402.db2.gz OIXVOBCATBBWOB-GFCCVEGCSA-N 1 2 345.830 3.624 20 0 EHADLO Cc1coc(-c2cc(NC(=O)C(C)(C)n3c[nH+]c(C)c3)ccc2C)n1 ZINC000897000880 1026221732 /nfs/dbraw/zinc/22/17/32/1026221732.db2.gz MOJFUTMEABCBIG-UHFFFAOYSA-N 1 2 338.411 3.837 20 0 EHADLO OCC1(C(F)(F)F)CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000897045176 1026264462 /nfs/dbraw/zinc/26/44/62/1026264462.db2.gz HAFKTHPOJIGJGR-UHFFFAOYSA-N 1 2 347.324 3.904 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451842236 1026310599 /nfs/dbraw/zinc/31/05/99/1026310599.db2.gz QWHWJGGWADSWHR-YOEHRIQHSA-N 1 2 344.480 3.616 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451842236 1026310612 /nfs/dbraw/zinc/31/06/12/1026310612.db2.gz QWHWJGGWADSWHR-YOEHRIQHSA-N 1 2 344.480 3.616 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCc3c2cccc3C)c1 ZINC000530818624 1026318005 /nfs/dbraw/zinc/31/80/05/1026318005.db2.gz OBNRYEJOFZMOJJ-LJQANCHMSA-N 1 2 331.419 3.906 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN1c1ccccc1 ZINC000785129706 1026320650 /nfs/dbraw/zinc/32/06/50/1026320650.db2.gz BIDRATOHQZWLHY-FQEVSTJZSA-N 1 2 347.418 3.585 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848350 1026323070 /nfs/dbraw/zinc/32/30/70/1026323070.db2.gz ZHFPMFINGPXLNP-QFBILLFUSA-N 1 2 338.451 3.554 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451848350 1026323085 /nfs/dbraw/zinc/32/30/85/1026323085.db2.gz ZHFPMFINGPXLNP-QFBILLFUSA-N 1 2 338.451 3.554 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000167738523 1026336236 /nfs/dbraw/zinc/33/62/36/1026336236.db2.gz QLNKXDAESBJSIZ-UHFFFAOYSA-N 1 2 349.521 3.885 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000167738523 1026336241 /nfs/dbraw/zinc/33/62/41/1026336241.db2.gz QLNKXDAESBJSIZ-UHFFFAOYSA-N 1 2 349.521 3.885 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)sc1Cc1ccc(C)cc1 ZINC000600960700 1026343281 /nfs/dbraw/zinc/34/32/81/1026343281.db2.gz OHNYEYCAZGVWHC-INIZCTEOSA-N 1 2 343.496 3.774 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)sc1Cc1ccc(C)cc1 ZINC000600960700 1026343293 /nfs/dbraw/zinc/34/32/93/1026343293.db2.gz OHNYEYCAZGVWHC-INIZCTEOSA-N 1 2 343.496 3.774 20 0 EHADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2nccs2)nc[nH+]1 ZINC000413491123 1026354095 /nfs/dbraw/zinc/35/40/95/1026354095.db2.gz YPAYJCINRLITGV-ZENOOKHLSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1 ZINC000413491123 1026354103 /nfs/dbraw/zinc/35/41/03/1026354103.db2.gz YPAYJCINRLITGV-ZENOOKHLSA-N 1 2 347.488 3.722 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1c(C)n[nH]c1C ZINC000167831885 1026363276 /nfs/dbraw/zinc/36/32/76/1026363276.db2.gz PMLVIASVZWFCCW-UHFFFAOYSA-N 1 2 348.248 3.771 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)nc1 ZINC000277634089 1026394857 /nfs/dbraw/zinc/39/48/57/1026394857.db2.gz HBIUZYLAQGRBDA-MRXNPFEDSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)nc1 ZINC000277634089 1026394860 /nfs/dbraw/zinc/39/48/60/1026394860.db2.gz HBIUZYLAQGRBDA-MRXNPFEDSA-N 1 2 340.345 3.875 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)cc1 ZINC000475276075 1026427040 /nfs/dbraw/zinc/42/70/40/1026427040.db2.gz NRLPKQSJVAIRFZ-IBGZPJMESA-N 1 2 344.499 3.556 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000530963159 1026437670 /nfs/dbraw/zinc/43/76/70/1026437670.db2.gz VAZBRMXITBWJCP-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000530963159 1026437679 /nfs/dbraw/zinc/43/76/79/1026437679.db2.gz VAZBRMXITBWJCP-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H](C)C1CCCCC1 ZINC000475286696 1026443479 /nfs/dbraw/zinc/44/34/79/1026443479.db2.gz KWHHYJXCHILVCF-CABCVRRESA-N 1 2 328.460 3.738 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(C)(c3ccccc3)CC2)c[nH+]1 ZINC000897179631 1026454554 /nfs/dbraw/zinc/45/45/54/1026454554.db2.gz PXSHXCKAVVWASD-UHFFFAOYSA-N 1 2 325.456 3.507 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(Cc3ccccc3)CC2)c[nH+]1 ZINC000452043746 1026456350 /nfs/dbraw/zinc/45/63/50/1026456350.db2.gz QIIJIYLBKNDOKP-UHFFFAOYSA-N 1 2 337.467 3.863 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1nncn1-c1ccccc1)CCS2 ZINC000152615602 1026456969 /nfs/dbraw/zinc/45/69/69/1026456969.db2.gz NLYXJCQXCDFFFE-MRXNPFEDSA-N 1 2 340.427 3.733 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccnn1C1CCC1 ZINC000925240683 1026462720 /nfs/dbraw/zinc/46/27/20/1026462720.db2.gz UJVVRAYFCGXHLU-KRWDZBQOSA-N 1 2 349.482 3.898 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000122440747 1026465739 /nfs/dbraw/zinc/46/57/39/1026465739.db2.gz UWFNSCIPRVFUET-QGZVFWFLSA-N 1 2 348.450 3.800 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630363 1026513080 /nfs/dbraw/zinc/51/30/80/1026513080.db2.gz JEJZDKKXTXHEDS-CVEARBPZSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630363 1026513087 /nfs/dbraw/zinc/51/30/87/1026513087.db2.gz JEJZDKKXTXHEDS-CVEARBPZSA-N 1 2 340.467 3.856 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)c(F)cc1F ZINC000729576135 1026558734 /nfs/dbraw/zinc/55/87/34/1026558734.db2.gz PFYDLLRPPUJBOM-AWEZNQCLSA-N 1 2 340.349 3.537 20 0 EHADLO CS[C@H](C)CCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211211 1026576843 /nfs/dbraw/zinc/57/68/43/1026576843.db2.gz YKZNRSVBWJZINL-GFCCVEGCSA-N 1 2 337.876 3.674 20 0 EHADLO O[C@H]1CCOC2(CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000897259397 1026596131 /nfs/dbraw/zinc/59/61/31/1026596131.db2.gz QASOTWFLQSFDMV-NSHDSACASA-N 1 2 336.284 3.561 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000452300902 1026642805 /nfs/dbraw/zinc/64/28/05/1026642805.db2.gz BQFGMZUUXCWGCT-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000452300902 1026642813 /nfs/dbraw/zinc/64/28/13/1026642813.db2.gz BQFGMZUUXCWGCT-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO O=C(CCCOc1ccccc1Cl)Nc1c[nH+]c2n1CCCC2 ZINC000452333264 1026666688 /nfs/dbraw/zinc/66/66/88/1026666688.db2.gz IZKDGASWCFGQID-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO Cc1ccc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c2c1 ZINC000301062481 1026671257 /nfs/dbraw/zinc/67/12/57/1026671257.db2.gz ABISDYJQVDDPIY-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCCC1(F)F)C2 ZINC000452315906 1026676676 /nfs/dbraw/zinc/67/66/76/1026676676.db2.gz WIFTYIIANABHLN-STQMWFEESA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCCC1(F)F)CC2 ZINC000452315906 1026676686 /nfs/dbraw/zinc/67/66/86/1026676686.db2.gz WIFTYIIANABHLN-STQMWFEESA-N 1 2 339.430 3.580 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452412157 1026734152 /nfs/dbraw/zinc/73/41/52/1026734152.db2.gz BQZYYGNAYWJGQQ-PKOBYXMFSA-N 1 2 325.456 3.878 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000684934666 1026741278 /nfs/dbraw/zinc/74/12/78/1026741278.db2.gz VJTJVGLCNOHGHU-GDBMZVCRSA-N 1 2 344.484 3.713 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(N2CCCC2)nc1 ZINC000167766908 1026756728 /nfs/dbraw/zinc/75/67/28/1026756728.db2.gz HKVRGSREYXFNDL-UHFFFAOYSA-N 1 2 341.846 3.834 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301341418 1026768999 /nfs/dbraw/zinc/76/89/99/1026768999.db2.gz GBCMROFOEYRKOC-UHFFFAOYSA-N 1 2 331.851 3.608 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)Cc1cccnc1 ZINC000301373200 1026781130 /nfs/dbraw/zinc/78/11/30/1026781130.db2.gz UROYJHUEYCUJPT-UHFFFAOYSA-N 1 2 335.407 3.751 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301376547 1026782596 /nfs/dbraw/zinc/78/25/96/1026782596.db2.gz RNTXBCOFCDZUQD-UHFFFAOYSA-N 1 2 345.809 3.938 20 0 EHADLO CCO[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000301415932 1026799047 /nfs/dbraw/zinc/79/90/47/1026799047.db2.gz LXTXLUFYKPCSJQ-IRXDYDNUSA-N 1 2 349.438 3.575 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757711 1026815141 /nfs/dbraw/zinc/81/51/41/1026815141.db2.gz MBBUQWGHPUQOLE-GXFFZTMASA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757711 1026815154 /nfs/dbraw/zinc/81/51/54/1026815154.db2.gz MBBUQWGHPUQOLE-GXFFZTMASA-N 1 2 325.733 3.614 20 0 EHADLO COc1ccccc1N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301586422 1026863732 /nfs/dbraw/zinc/86/37/32/1026863732.db2.gz BIORNJNFKLAXTR-HNNXBMFYSA-N 1 2 326.444 3.608 20 0 EHADLO FC(F)(F)c1cnc(N2CC[C@H](Nc3cccc[nH+]3)C2)c(Cl)c1 ZINC000301612904 1026874475 /nfs/dbraw/zinc/87/44/75/1026874475.db2.gz GMMHPFJDCQBVGV-NSHDSACASA-N 1 2 342.752 3.840 20 0 EHADLO C[C@H](CNc1c(F)c(F)nc(F)c1F)[N@@H+]1CCc2sccc2C1 ZINC000301621039 1026878215 /nfs/dbraw/zinc/87/82/15/1026878215.db2.gz XUHFQHPNWDVOJS-MRVPVSSYSA-N 1 2 345.365 3.558 20 0 EHADLO C[C@H](CNc1c(F)c(F)nc(F)c1F)[N@H+]1CCc2sccc2C1 ZINC000301621039 1026878223 /nfs/dbraw/zinc/87/82/23/1026878223.db2.gz XUHFQHPNWDVOJS-MRVPVSSYSA-N 1 2 345.365 3.558 20 0 EHADLO Cc1ccc(C)c(OCc2nnc(SCc3cc[nH+]c(N)c3)o2)c1 ZINC000193064873 1026880682 /nfs/dbraw/zinc/88/06/82/1026880682.db2.gz ZKFQVAXJYVZYTA-UHFFFAOYSA-N 1 2 342.424 3.535 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000301840184 1026958764 /nfs/dbraw/zinc/95/87/64/1026958764.db2.gz OSGJJCVAGVGWGP-UHFFFAOYSA-N 1 2 333.439 3.511 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000301840184 1026958766 /nfs/dbraw/zinc/95/87/66/1026958766.db2.gz OSGJJCVAGVGWGP-UHFFFAOYSA-N 1 2 333.439 3.511 20 0 EHADLO CO[C@H](CNc1nc(N)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000301854250 1026965279 /nfs/dbraw/zinc/96/52/79/1026965279.db2.gz AJRZBQWQGJHQBU-OAHLLOKOSA-N 1 2 328.803 3.665 20 0 EHADLO COc1cccc(Oc2ncccc2CNCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000563439074 1026966204 /nfs/dbraw/zinc/96/62/04/1026966204.db2.gz FAUOCBSTADRIBL-UHFFFAOYSA-N 1 2 338.411 3.512 20 0 EHADLO COc1cccc(Oc2ncccc2C[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000563439074 1026966210 /nfs/dbraw/zinc/96/62/10/1026966210.db2.gz FAUOCBSTADRIBL-UHFFFAOYSA-N 1 2 338.411 3.512 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCSc1ccccc1 ZINC000301860963 1026968673 /nfs/dbraw/zinc/96/86/73/1026968673.db2.gz DPMCYEGQDWODJV-UHFFFAOYSA-N 1 2 327.457 3.786 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301862341 1026969228 /nfs/dbraw/zinc/96/92/28/1026969228.db2.gz DZHHMMHRCMOCJU-GDBMZVCRSA-N 1 2 335.455 3.964 20 0 EHADLO Nc1nc(NC[C@H]2CCCO[C@@H]2c2ccccc2)[nH+]c2ccccc12 ZINC000301886447 1026979350 /nfs/dbraw/zinc/97/93/50/1026979350.db2.gz PBEFGDLJZFETFZ-CRAIPNDOSA-N 1 2 334.423 3.792 20 0 EHADLO Nc1nc(NC[C@H]2CCCO[C@H]2c2ccccc2)[nH+]c2ccccc12 ZINC000301886449 1026979410 /nfs/dbraw/zinc/97/94/10/1026979410.db2.gz PBEFGDLJZFETFZ-QAPCUYQASA-N 1 2 334.423 3.792 20 0 EHADLO Cn1c[nH+]cc1CCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000665686338 1026979611 /nfs/dbraw/zinc/97/96/11/1026979611.db2.gz WYPMEDLFBVYZSN-UHFFFAOYSA-N 1 2 326.347 3.650 20 0 EHADLO Nc1nc(NCCc2coc(-c3ccc(F)cc3)n2)[nH+]c2ccccc12 ZINC000301886496 1026979624 /nfs/dbraw/zinc/97/96/24/1026979624.db2.gz PEFSNFIDTRYKJZ-UHFFFAOYSA-N 1 2 349.369 3.661 20 0 EHADLO Nc1nc(NC[C@@H](O)c2ccc3ccccc3c2)[nH+]c2ccccc12 ZINC000301887825 1026980574 /nfs/dbraw/zinc/98/05/74/1026980574.db2.gz KRNTUKMFNVVAKP-GOSISDBHSA-N 1 2 330.391 3.511 20 0 EHADLO CC(C)(C)[C@H]1OCCC[C@@H]1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301899117 1026985075 /nfs/dbraw/zinc/98/50/75/1026985075.db2.gz SVPUTTGLMSWHIR-HIFRSBDPSA-N 1 2 345.491 3.835 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000301926238 1026996816 /nfs/dbraw/zinc/99/68/16/1026996816.db2.gz MVMCIOQSNCXUTF-USXIJHARSA-N 1 2 333.439 3.722 20 0 EHADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000301926810 1026997379 /nfs/dbraw/zinc/99/73/79/1026997379.db2.gz ZFRYPFJTXINCGX-HNNXBMFYSA-N 1 2 344.418 3.754 20 0 EHADLO CCC[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000685000012 1027015913 /nfs/dbraw/zinc/01/59/13/1027015913.db2.gz BQFDZTVBGXKLAZ-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO CCC[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000685000012 1027015920 /nfs/dbraw/zinc/01/59/20/1027015920.db2.gz BQFDZTVBGXKLAZ-UHFFFAOYSA-N 1 2 336.439 3.688 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2sc(-c3ccccc3)nc2C)c[nH+]1 ZINC000897368548 1027016503 /nfs/dbraw/zinc/01/65/03/1027016503.db2.gz PAPHQHQHGRKMMS-UHFFFAOYSA-N 1 2 340.452 3.997 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)C[C@H]2CC2(C)C)c1)[NH+]1CCOCC1 ZINC000666005899 1027017083 /nfs/dbraw/zinc/01/70/83/1027017083.db2.gz ZMBBDVLZUJDKCV-NVXWUHKLSA-N 1 2 345.487 3.590 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000582718990 1027034479 /nfs/dbraw/zinc/03/44/79/1027034479.db2.gz FHIIZCPEPYUELI-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO CO[C@@H](C)CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277825804 1027060012 /nfs/dbraw/zinc/06/00/12/1027060012.db2.gz YHGCSSXPZDLDRP-AWEZNQCLSA-N 1 2 327.428 3.640 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153130993 1027075556 /nfs/dbraw/zinc/07/55/56/1027075556.db2.gz HGVMZLWOIHCFHW-OAHLLOKOSA-N 1 2 335.766 3.559 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nnc(-c2ccccc2Cl)s1 ZINC000302219257 1027094518 /nfs/dbraw/zinc/09/45/18/1027094518.db2.gz LOKZGFYVSOUPQF-UHFFFAOYSA-N 1 2 333.848 3.582 20 0 EHADLO Cc1ccc(C)c([C@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000531631129 1027109162 /nfs/dbraw/zinc/10/91/62/1027109162.db2.gz DWEQNJIQVQLNSH-LJQANCHMSA-N 1 2 340.471 3.827 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000125768627 1027120577 /nfs/dbraw/zinc/12/05/77/1027120577.db2.gz SNRAPIABTYAXMX-WFEZPHLISA-N 1 2 327.403 3.535 20 0 EHADLO CC[C@]1(CO)CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000342797217 1027127993 /nfs/dbraw/zinc/12/79/93/1027127993.db2.gz NQSAHCNECOTRCZ-HNNXBMFYSA-N 1 2 335.341 3.709 20 0 EHADLO CC[C@]1(CO)CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000342797217 1027128005 /nfs/dbraw/zinc/12/80/05/1027128005.db2.gz NQSAHCNECOTRCZ-HNNXBMFYSA-N 1 2 335.341 3.709 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000277835294 1027128836 /nfs/dbraw/zinc/12/88/36/1027128836.db2.gz YXOMPRBEHHIYEQ-WFASDCNBSA-N 1 2 339.361 3.638 20 0 EHADLO CCC(CC)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623309399 1027132182 /nfs/dbraw/zinc/13/21/82/1027132182.db2.gz XFNSIWUKVNEMGA-MRXNPFEDSA-N 1 2 345.874 3.726 20 0 EHADLO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534075 1027146181 /nfs/dbraw/zinc/14/61/81/1027146181.db2.gz BPVWSSRSDYIAEJ-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534448 1027146891 /nfs/dbraw/zinc/14/68/91/1027146891.db2.gz RGHKQAHSTGNNHQ-JTQLQIEISA-N 1 2 346.793 3.703 20 0 EHADLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302630592 1027217066 /nfs/dbraw/zinc/21/70/66/1027217066.db2.gz BVPHXIANDUVTGH-ZDUSSCGKSA-N 1 2 342.443 3.714 20 0 EHADLO CC(C)c1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075972374 1027217161 /nfs/dbraw/zinc/21/71/61/1027217161.db2.gz PKSDNIBSJKMQIN-UHFFFAOYSA-N 1 2 326.444 3.707 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000302658811 1027226667 /nfs/dbraw/zinc/22/66/67/1027226667.db2.gz LHPQADJKLANLGA-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302658811 1027226672 /nfs/dbraw/zinc/22/66/72/1027226672.db2.gz LHPQADJKLANLGA-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccc(F)c(F)c2n1 ZINC000302721288 1027255816 /nfs/dbraw/zinc/25/58/16/1027255816.db2.gz LLIJZAZMIBNLMA-CYBMUJFWSA-N 1 2 340.377 3.907 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000531736042 1027258974 /nfs/dbraw/zinc/25/89/74/1027258974.db2.gz QDOLLDBNRPURHX-GOEBONIOSA-N 1 2 328.460 3.904 20 0 EHADLO C[C@@]1(F)CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411289 1027266973 /nfs/dbraw/zinc/26/69/73/1027266973.db2.gz POZURYJIFBTKEL-RBUKOAKNSA-N 1 2 336.426 3.607 20 0 EHADLO C[C@@]1(F)CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411289 1027266986 /nfs/dbraw/zinc/26/69/86/1027266986.db2.gz POZURYJIFBTKEL-RBUKOAKNSA-N 1 2 336.426 3.607 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000302770606 1027280326 /nfs/dbraw/zinc/28/03/26/1027280326.db2.gz BXGHMFWVZPUBCI-OAHLLOKOSA-N 1 2 334.423 3.640 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000302770606 1027280339 /nfs/dbraw/zinc/28/03/39/1027280339.db2.gz BXGHMFWVZPUBCI-OAHLLOKOSA-N 1 2 334.423 3.640 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)CCCC(=O)OC(C)(C)C)n2)cc1 ZINC000076416300 1027281414 /nfs/dbraw/zinc/28/14/14/1027281414.db2.gz MKGLOFJYLQNVNI-UHFFFAOYSA-N 1 2 345.443 3.599 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)n2)cc1 ZINC000076416300 1027281426 /nfs/dbraw/zinc/28/14/26/1027281426.db2.gz MKGLOFJYLQNVNI-UHFFFAOYSA-N 1 2 345.443 3.599 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c(C)s1 ZINC000302782826 1027289237 /nfs/dbraw/zinc/28/92/37/1027289237.db2.gz KPQLESOEEYYNSP-HIFRSBDPSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c(C)s1 ZINC000302782826 1027289249 /nfs/dbraw/zinc/28/92/49/1027289249.db2.gz KPQLESOEEYYNSP-HIFRSBDPSA-N 1 2 346.500 3.679 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2nc(C)no2)C(C)C)cc1OCC ZINC000127398198 1027304144 /nfs/dbraw/zinc/30/41/44/1027304144.db2.gz KRYGPNNWGPVZFJ-GOSISDBHSA-N 1 2 333.432 3.662 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123435628 1027306319 /nfs/dbraw/zinc/30/63/19/1027306319.db2.gz AWRRLHZOJOYGGN-BMIGLBTASA-N 1 2 339.773 3.538 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nonc3C)s2)cc1 ZINC000273261003 1027342919 /nfs/dbraw/zinc/34/29/19/1027342919.db2.gz DWCGICDXAJUJCG-NSHDSACASA-N 1 2 344.440 3.669 20 0 EHADLO c1cncc(-c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)c1 ZINC000302898652 1027349726 /nfs/dbraw/zinc/34/97/26/1027349726.db2.gz PYGPKZIBEJDSHH-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO c1cncc(-c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)c1 ZINC000302898652 1027349741 /nfs/dbraw/zinc/34/97/41/1027349741.db2.gz PYGPKZIBEJDSHH-UHFFFAOYSA-N 1 2 331.423 3.751 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000077174503 1027358891 /nfs/dbraw/zinc/35/88/91/1027358891.db2.gz RXHOWCHBQJTUEV-CABCVRRESA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000077174503 1027358907 /nfs/dbraw/zinc/35/89/07/1027358907.db2.gz RXHOWCHBQJTUEV-CABCVRRESA-N 1 2 340.345 3.538 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C2CCC2)cc1 ZINC000072608854 1027363061 /nfs/dbraw/zinc/36/30/61/1027363061.db2.gz PFNREPUGIAOVEO-OAHLLOKOSA-N 1 2 343.324 3.945 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCOCc2ccccc2)n1 ZINC000273300790 1027365195 /nfs/dbraw/zinc/36/51/95/1027365195.db2.gz LROPQODLDGTKCB-HNNXBMFYSA-N 1 2 349.500 3.922 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCOCc2ccccc2)n1 ZINC000273300790 1027365216 /nfs/dbraw/zinc/36/52/16/1027365216.db2.gz LROPQODLDGTKCB-HNNXBMFYSA-N 1 2 349.500 3.922 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000054277835 1027404253 /nfs/dbraw/zinc/40/42/53/1027404253.db2.gz OSXRZWMDESVCKO-LBPRGKRZSA-N 1 2 335.498 3.618 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000054277835 1027404265 /nfs/dbraw/zinc/40/42/65/1027404265.db2.gz OSXRZWMDESVCKO-LBPRGKRZSA-N 1 2 335.498 3.618 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273396884 1027411455 /nfs/dbraw/zinc/41/14/55/1027411455.db2.gz PWFARRWRSYGQCC-ZDUSSCGKSA-N 1 2 342.468 3.793 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000128578161 1027452128 /nfs/dbraw/zinc/45/21/28/1027452128.db2.gz QBNRAUZCZWWRRG-ZDUSSCGKSA-N 1 2 334.872 3.921 20 0 EHADLO CSc1ccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)s1 ZINC001142032390 1027464298 /nfs/dbraw/zinc/46/42/98/1027464298.db2.gz ZXZQRBNUGQJBAR-UHFFFAOYSA-N 1 2 342.530 3.817 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000128747499 1027476800 /nfs/dbraw/zinc/47/68/00/1027476800.db2.gz AHTBDZVIZIUSIB-MRXNPFEDSA-N 1 2 337.467 3.722 20 0 EHADLO COc1cccc(F)c1CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001167609525 1027497729 /nfs/dbraw/zinc/49/77/29/1027497729.db2.gz YFARQKOEWJVANF-UHFFFAOYSA-N 1 2 339.370 3.815 20 0 EHADLO OCc1cc2ccccc2nc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000077930003 1027501350 /nfs/dbraw/zinc/50/13/50/1027501350.db2.gz UXEHPBDPASJRAT-UHFFFAOYSA-N 1 2 348.450 3.725 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977148 1027507369 /nfs/dbraw/zinc/50/73/69/1027507369.db2.gz PHZGHDWGXMBIME-CRAIPNDOSA-N 1 2 349.434 3.670 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1cc2ccccc2o1 ZINC000077977148 1027507380 /nfs/dbraw/zinc/50/73/80/1027507380.db2.gz PHZGHDWGXMBIME-CRAIPNDOSA-N 1 2 349.434 3.670 20 0 EHADLO FC(F)(F)[C@@H](C[NH2+]Cc1ncc(Cl)s1)OC1CCCC1 ZINC000657587909 1027509998 /nfs/dbraw/zinc/50/99/98/1027509998.db2.gz ZTRKSGSMPQEBIY-SECBINFHSA-N 1 2 328.787 3.776 20 0 EHADLO CC[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C1CC1 ZINC000273665214 1027546909 /nfs/dbraw/zinc/54/69/09/1027546909.db2.gz FQENMYYGUWIOJH-UHFFFAOYSA-N 1 2 325.334 3.664 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C1CC1 ZINC000273665214 1027546923 /nfs/dbraw/zinc/54/69/23/1027546923.db2.gz FQENMYYGUWIOJH-UHFFFAOYSA-N 1 2 325.334 3.664 20 0 EHADLO Fc1cnc2c(c1)nccc2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000342833823 1027554029 /nfs/dbraw/zinc/55/40/29/1027554029.db2.gz HHOZXJHCDVJUBD-UHFFFAOYSA-N 1 2 339.418 3.662 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc(C(C)(C)c3ccc(Cl)cc3)no2)C1 ZINC000420494747 1027562278 /nfs/dbraw/zinc/56/22/78/1027562278.db2.gz ACADDJGCFJACTO-HNNXBMFYSA-N 1 2 349.862 3.831 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc(C(C)(C)c3ccc(Cl)cc3)no2)C1 ZINC000420494747 1027562295 /nfs/dbraw/zinc/56/22/95/1027562295.db2.gz ACADDJGCFJACTO-HNNXBMFYSA-N 1 2 349.862 3.831 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414458239 1027603228 /nfs/dbraw/zinc/60/32/28/1027603228.db2.gz XNZCDZSLKRJERS-INIZCTEOSA-N 1 2 349.521 3.704 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414458239 1027603235 /nfs/dbraw/zinc/60/32/35/1027603235.db2.gz XNZCDZSLKRJERS-INIZCTEOSA-N 1 2 349.521 3.704 20 0 EHADLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1C ZINC000129978910 1027622356 /nfs/dbraw/zinc/62/23/56/1027622356.db2.gz GOXYDKNOZSCLRJ-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO Nc1cc(CNc2ccc(Oc3ccc(Cl)cc3)nn2)cc[nH+]1 ZINC001167613003 1027622457 /nfs/dbraw/zinc/62/24/57/1027622457.db2.gz GYOOPQNZUNMVOE-UHFFFAOYSA-N 1 2 327.775 3.512 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)C1 ZINC000459329307 1027637457 /nfs/dbraw/zinc/63/74/57/1027637457.db2.gz RBCUJKLMLAEORS-NRXISQOPSA-N 1 2 338.517 3.770 20 0 EHADLO CC(C)OC1CC([N@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)C1 ZINC000459329307 1027637460 /nfs/dbraw/zinc/63/74/60/1027637460.db2.gz RBCUJKLMLAEORS-NRXISQOPSA-N 1 2 338.517 3.770 20 0 EHADLO COc1ccc(CN(C(=O)NCc2cc(C)[nH+]c(C)c2)C2CC2)cc1 ZINC000422198374 1027642281 /nfs/dbraw/zinc/64/22/81/1027642281.db2.gz CFKOWLFKQQSMHT-UHFFFAOYSA-N 1 2 339.439 3.581 20 0 EHADLO C[NH2+]Cc1noc([C@@H](C)Sc2ccnc3cc(Cl)ccc32)n1 ZINC000414643008 1027651510 /nfs/dbraw/zinc/65/15/10/1027651510.db2.gz MIEJFAGOKVGZNS-SECBINFHSA-N 1 2 334.832 3.844 20 0 EHADLO Cc1cc(CNC(=O)N2CC(c3ccccc3)(C(C)C)C2)cc(C)[nH+]1 ZINC000422213743 1027651617 /nfs/dbraw/zinc/65/16/17/1027651617.db2.gz RXQFWKYMDOMHMS-UHFFFAOYSA-N 1 2 337.467 3.818 20 0 EHADLO Cc1cc(CNC(=O)NC2(c3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000422219574 1027656916 /nfs/dbraw/zinc/65/69/16/1027656916.db2.gz ZZMIMUAIDHRIRV-UHFFFAOYSA-N 1 2 329.831 3.840 20 0 EHADLO COc1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccn1 ZINC000342860687 1027715718 /nfs/dbraw/zinc/71/57/18/1027715718.db2.gz SLSKRODNKVXYHR-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO CSc1ccc(CCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000648405562 1027718699 /nfs/dbraw/zinc/71/86/99/1027718699.db2.gz GWKHFXWLKJWGCR-UHFFFAOYSA-N 1 2 329.469 3.903 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(NCc2cc[nH+]c(N)c2)n1 ZINC001167617720 1027721959 /nfs/dbraw/zinc/72/19/59/1027721959.db2.gz XOZROSHWEPZOIU-UHFFFAOYSA-N 1 2 327.457 3.788 20 0 EHADLO COc1ccc([C@@H](NC(=O)NCc2cc(C)[nH+]c(C)c2)C2CC2)cc1 ZINC000420764871 1027733236 /nfs/dbraw/zinc/73/32/36/1027733236.db2.gz DGEKVDIEWHFWAT-IBGZPJMESA-N 1 2 339.439 3.658 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000131408689 1027776369 /nfs/dbraw/zinc/77/63/69/1027776369.db2.gz MCOXEBFNIRSPTD-UHFFFAOYSA-N 1 2 328.375 3.806 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1cc2[nH]ccc2cc1C)[NH+]1CCOCC1 ZINC000444444983 1027778912 /nfs/dbraw/zinc/77/89/12/1027778912.db2.gz GGPBXJKLGIWNFK-LJQANCHMSA-N 1 2 343.471 3.552 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1cc2[nH]ccc2cc1C)[NH+]1CCOCC1 ZINC000444444982 1027778937 /nfs/dbraw/zinc/77/89/37/1027778937.db2.gz GGPBXJKLGIWNFK-IBGZPJMESA-N 1 2 343.471 3.552 20 0 EHADLO CCCc1ccc([C@H]([NH2+]Cc2nc(C(=O)OCC)no2)C(C)C)cc1 ZINC000459349677 1027781879 /nfs/dbraw/zinc/78/18/79/1027781879.db2.gz NYXGLBKZRMYIKO-QGZVFWFLSA-N 1 2 345.443 3.686 20 0 EHADLO Cc1cc(CNC(=O)NCC2(c3ccc(F)cc3)CCC2)cc(C)[nH+]1 ZINC000420844974 1027785476 /nfs/dbraw/zinc/78/54/76/1027785476.db2.gz HPGWTQURTATOQO-UHFFFAOYSA-N 1 2 341.430 3.759 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000420854896 1027797073 /nfs/dbraw/zinc/79/70/73/1027797073.db2.gz VLPYLAHCAGRQLS-LSDHHAIUSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H](CC(F)(F)F)C2)cc(C)[nH+]1 ZINC000420856569 1027802669 /nfs/dbraw/zinc/80/26/69/1027802669.db2.gz GASOGXFUGXMJME-CYBMUJFWSA-N 1 2 329.366 3.572 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872911 1027803376 /nfs/dbraw/zinc/80/33/76/1027803376.db2.gz IYWYQLBKSRJETJ-CHWSQXEVSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342872911 1027803395 /nfs/dbraw/zinc/80/33/95/1027803395.db2.gz IYWYQLBKSRJETJ-CHWSQXEVSA-N 1 2 326.843 3.700 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)n1 ZINC000459354543 1027837669 /nfs/dbraw/zinc/83/76/69/1027837669.db2.gz MBHHJBYCQLBHBK-INIZCTEOSA-N 1 2 343.427 3.590 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)n1 ZINC000459354543 1027837690 /nfs/dbraw/zinc/83/76/90/1027837690.db2.gz MBHHJBYCQLBHBK-INIZCTEOSA-N 1 2 343.427 3.590 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000420922964 1027867579 /nfs/dbraw/zinc/86/75/79/1027867579.db2.gz PAUQTLZJNJBUBU-RHSMWYFYSA-N 1 2 337.826 3.565 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000420922964 1027867600 /nfs/dbraw/zinc/86/76/00/1027867600.db2.gz PAUQTLZJNJBUBU-RHSMWYFYSA-N 1 2 337.826 3.565 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000132389029 1027916265 /nfs/dbraw/zinc/91/62/65/1027916265.db2.gz GNJBEKKWTCIXTL-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c(C)c[nH+]1 ZINC000536619503 1027936339 /nfs/dbraw/zinc/93/63/39/1027936339.db2.gz LQWAIDIVHBZJKS-HNNXBMFYSA-N 1 2 327.428 3.790 20 0 EHADLO FC(F)C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000420989482 1027949245 /nfs/dbraw/zinc/94/92/45/1027949245.db2.gz CHKRETRYSKLWML-OAHLLOKOSA-N 1 2 332.398 3.977 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cc(Br)ccc2Cl)n1 ZINC000414488816 1027959530 /nfs/dbraw/zinc/95/95/30/1027959530.db2.gz XHQBDYHKBRQZOK-UHFFFAOYSA-N 1 2 328.641 3.609 20 0 EHADLO O=C(NCCCCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000050689769 1027961977 /nfs/dbraw/zinc/96/19/77/1027961977.db2.gz SXIWAOQXPJUGPU-UHFFFAOYSA-N 1 2 349.434 3.599 20 0 EHADLO CCCOc1cccc2c(N[C@@H]3CCOC[C@H]3OCC)cc[nH+]c12 ZINC000503601469 1027966310 /nfs/dbraw/zinc/96/63/10/1027966310.db2.gz GATDICBRXZCIFU-SJLPKXTDSA-N 1 2 330.428 3.630 20 0 EHADLO CCCOc1cccc2c(N[C@@H]3CCOC[C@@H]3OCC)cc[nH+]c12 ZINC000503601467 1027966969 /nfs/dbraw/zinc/96/69/69/1027966969.db2.gz GATDICBRXZCIFU-AEFFLSMTSA-N 1 2 330.428 3.630 20 0 EHADLO C[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000120334702 1027997846 /nfs/dbraw/zinc/99/78/46/1027997846.db2.gz QHMCMVHUFTWJMI-ZDUSSCGKSA-N 1 2 333.382 3.519 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2cnccc2N)ccc1OCCC(C)C ZINC000422883702 1028020534 /nfs/dbraw/zinc/02/05/34/1028020534.db2.gz QXOKRAINEMGHIR-HNNXBMFYSA-N 1 2 343.471 3.778 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C)nn(C)c1Cl)CCC2 ZINC000133406496 1028026410 /nfs/dbraw/zinc/02/64/10/1028026410.db2.gz AAYNHGNHJFLYEO-CYBMUJFWSA-N 1 2 338.908 3.910 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C)nn(C)c1Cl)CCC2 ZINC000133406496 1028026428 /nfs/dbraw/zinc/02/64/28/1028026428.db2.gz AAYNHGNHJFLYEO-CYBMUJFWSA-N 1 2 338.908 3.910 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455320861 1028035257 /nfs/dbraw/zinc/03/52/57/1028035257.db2.gz AXOHNMVBBJIDOJ-HNNXBMFYSA-N 1 2 345.874 3.928 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)oc21 ZINC000277940170 1028042865 /nfs/dbraw/zinc/04/28/65/1028042865.db2.gz DXNQSGMYMVWBNR-GDBMZVCRSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)oc21 ZINC000277940170 1028042883 /nfs/dbraw/zinc/04/28/83/1028042883.db2.gz DXNQSGMYMVWBNR-GDBMZVCRSA-N 1 2 339.395 3.717 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000133802545 1028068154 /nfs/dbraw/zinc/06/81/54/1028068154.db2.gz DCDURUXHVLVGPY-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000133802545 1028068176 /nfs/dbraw/zinc/06/81/76/1028068176.db2.gz DCDURUXHVLVGPY-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000078676471 1028084553 /nfs/dbraw/zinc/08/45/53/1028084553.db2.gz GUVPVYWLYYZABV-SJORKVTESA-N 1 2 346.519 3.666 20 0 EHADLO c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1 ZINC000078686764 1028090980 /nfs/dbraw/zinc/09/09/80/1028090980.db2.gz JDQWWKAXCZWMTO-QGZVFWFLSA-N 1 2 337.448 3.875 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444694002 1028166020 /nfs/dbraw/zinc/16/60/20/1028166020.db2.gz IUMCZEMHQMUYCT-TZMCWYRMSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444694002 1028166026 /nfs/dbraw/zinc/16/60/26/1028166026.db2.gz IUMCZEMHQMUYCT-TZMCWYRMSA-N 1 2 339.361 3.996 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444696834 1028170185 /nfs/dbraw/zinc/17/01/85/1028170185.db2.gz WRDRHXLJYBSQKS-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444696834 1028170193 /nfs/dbraw/zinc/17/01/93/1028170193.db2.gz WRDRHXLJYBSQKS-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000503861489 1028174347 /nfs/dbraw/zinc/17/43/47/1028174347.db2.gz VTDZDFDEQHGJMP-DOTOQJQBSA-N 1 2 345.512 3.961 20 0 EHADLO COc1ccc(C2(NC(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC000455459951 1028223286 /nfs/dbraw/zinc/22/32/86/1028223286.db2.gz ACXMLGWNSCXESY-UHFFFAOYSA-N 1 2 325.412 3.826 20 0 EHADLO [NH3+][C@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)c1c(F)cccc1F ZINC000423139016 1028223495 /nfs/dbraw/zinc/22/34/95/1028223495.db2.gz UVPHWRHLXZDUBH-KXBFYZLASA-N 1 2 344.405 3.761 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)Oc2cccc(F)c2)c(C)[nH+]1 ZINC000455495020 1028228660 /nfs/dbraw/zinc/22/86/60/1028228660.db2.gz NUIYNFZFHHPWIB-ZDUSSCGKSA-N 1 2 331.391 3.735 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccc(OC(C)(C)C)nc2)c(C)[nH+]1 ZINC000455484583 1028250736 /nfs/dbraw/zinc/25/07/36/1028250736.db2.gz JQZCHRDGLQEVMQ-UHFFFAOYSA-N 1 2 342.443 3.901 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808111 1028253010 /nfs/dbraw/zinc/25/30/10/1028253010.db2.gz IHSGSLSIKWVRKU-QGZVFWFLSA-N 1 2 337.467 3.691 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808111 1028253030 /nfs/dbraw/zinc/25/30/30/1028253030.db2.gz IHSGSLSIKWVRKU-QGZVFWFLSA-N 1 2 337.467 3.691 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC000455492862 1028265182 /nfs/dbraw/zinc/26/51/82/1028265182.db2.gz CBYBRVHPZHHIMV-NOZJJQNGSA-N 1 2 330.436 3.521 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1NC(C)=O ZINC000423220828 1028287157 /nfs/dbraw/zinc/28/71/57/1028287157.db2.gz VYJYHDCVPDURJW-LBPRGKRZSA-N 1 2 325.412 3.795 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1NC(C)=O ZINC000423220827 1028287696 /nfs/dbraw/zinc/28/76/96/1028287696.db2.gz VYJYHDCVPDURJW-GFCCVEGCSA-N 1 2 325.412 3.795 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccnc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455526766 1028298621 /nfs/dbraw/zinc/29/86/21/1028298621.db2.gz QBRNXEURCMBPQG-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533680760 1028308829 /nfs/dbraw/zinc/30/88/29/1028308829.db2.gz DLNDAQFMHLOBHU-DOTOQJQBSA-N 1 2 326.843 3.921 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533680760 1028308844 /nfs/dbraw/zinc/30/88/44/1028308844.db2.gz DLNDAQFMHLOBHU-DOTOQJQBSA-N 1 2 326.843 3.921 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1nccs1 ZINC000459371954 1028323564 /nfs/dbraw/zinc/32/35/64/1028323564.db2.gz HMWDEYZJPRDSHU-GOSISDBHSA-N 1 2 340.452 3.721 20 0 EHADLO CSc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056520799 1028326740 /nfs/dbraw/zinc/32/67/40/1028326740.db2.gz SUWMUHKELSPMPQ-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000067133007 1028355639 /nfs/dbraw/zinc/35/56/39/1028355639.db2.gz ROECVKXCRLYBNQ-OXJNMPFZSA-N 1 2 334.419 3.664 20 0 EHADLO Brc1ccc2nc(C[N@@H+]3CCCc4occc4C3)cn2c1 ZINC000685058483 1028375787 /nfs/dbraw/zinc/37/57/87/1028375787.db2.gz KQDKJJKTSXQNKX-UHFFFAOYSA-N 1 2 346.228 3.638 20 0 EHADLO Brc1ccc2nc(C[N@H+]3CCCc4occc4C3)cn2c1 ZINC000685058483 1028375809 /nfs/dbraw/zinc/37/58/09/1028375809.db2.gz KQDKJJKTSXQNKX-UHFFFAOYSA-N 1 2 346.228 3.638 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)nc1 ZINC000421422222 1028383522 /nfs/dbraw/zinc/38/35/22/1028383522.db2.gz HSZQKIBQQZXZDU-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO C[N@@H+]1CC[C@H](NCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000729681849 1028414232 /nfs/dbraw/zinc/41/42/32/1028414232.db2.gz LDRSPKHACMOOPG-NSHDSACASA-N 1 2 339.917 3.741 20 0 EHADLO C[N@H+]1CC[C@H](NCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000729681849 1028414246 /nfs/dbraw/zinc/41/42/46/1028414246.db2.gz LDRSPKHACMOOPG-NSHDSACASA-N 1 2 339.917 3.741 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069065680 1028418994 /nfs/dbraw/zinc/41/89/94/1028418994.db2.gz JZSICQNKUUENMT-OLZOCXBDSA-N 1 2 336.382 3.770 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069065680 1028419004 /nfs/dbraw/zinc/41/90/04/1028419004.db2.gz JZSICQNKUUENMT-OLZOCXBDSA-N 1 2 336.382 3.770 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc3nc(Cl)ccc3s1)C2 ZINC000897333824 1028430224 /nfs/dbraw/zinc/43/02/24/1028430224.db2.gz QWRPXZBPGFTJTA-UHFFFAOYSA-N 1 2 332.860 3.724 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)c[nH+]1 ZINC000455553486 1028435156 /nfs/dbraw/zinc/43/51/56/1028435156.db2.gz HOIPNRXOCOWCJW-UHFFFAOYSA-N 1 2 339.414 3.836 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079057263 1028442676 /nfs/dbraw/zinc/44/26/76/1028442676.db2.gz HTWBOOBWUAJNCA-INIZCTEOSA-N 1 2 346.434 3.592 20 0 EHADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)oc1-c1ccc(Cl)cc1 ZINC000647933503 1028492340 /nfs/dbraw/zinc/49/23/40/1028492340.db2.gz QUWCJSSMBFWNGX-UHFFFAOYSA-N 1 2 328.803 3.585 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000342979774 1028492493 /nfs/dbraw/zinc/49/24/93/1028492493.db2.gz VFGZHRHZRBTJSD-PXNSSMCTSA-N 1 2 337.467 3.763 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000504230572 1028501656 /nfs/dbraw/zinc/50/16/56/1028501656.db2.gz UGUZAFREXDFBCH-SFHVURJKSA-N 1 2 341.386 3.829 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000504230572 1028501664 /nfs/dbraw/zinc/50/16/64/1028501664.db2.gz UGUZAFREXDFBCH-SFHVURJKSA-N 1 2 341.386 3.829 20 0 EHADLO c1cn(Cc2ccc(-c3nc(CCc4ccccc4)no3)cc2)c[nH+]1 ZINC000072539650 1028503954 /nfs/dbraw/zinc/50/39/54/1028503954.db2.gz CLJKBVKHUYJLJR-UHFFFAOYSA-N 1 2 330.391 3.767 20 0 EHADLO c1nc(C2CC2)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)s1 ZINC000426160821 1028503986 /nfs/dbraw/zinc/50/39/86/1028503986.db2.gz LAKBJPWIHLPZIY-KRWDZBQOSA-N 1 2 328.481 3.854 20 0 EHADLO c1nc(C2CC2)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)s1 ZINC000426160821 1028504000 /nfs/dbraw/zinc/50/40/00/1028504000.db2.gz LAKBJPWIHLPZIY-KRWDZBQOSA-N 1 2 328.481 3.854 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CCS1 ZINC000072862160 1028523518 /nfs/dbraw/zinc/52/35/18/1028523518.db2.gz XSQWJFPFXHWOIS-ZDUSSCGKSA-N 1 2 348.434 3.677 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CCS1 ZINC000072862160 1028523532 /nfs/dbraw/zinc/52/35/32/1028523532.db2.gz XSQWJFPFXHWOIS-ZDUSSCGKSA-N 1 2 348.434 3.677 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475621985 1028530750 /nfs/dbraw/zinc/53/07/50/1028530750.db2.gz DWWKPXGJLZWRRV-MJGOQNOKSA-N 1 2 344.480 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475621985 1028530763 /nfs/dbraw/zinc/53/07/63/1028530763.db2.gz DWWKPXGJLZWRRV-MJGOQNOKSA-N 1 2 344.480 3.580 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153662621 1028531176 /nfs/dbraw/zinc/53/11/76/1028531176.db2.gz DTLWSYSVPJHREX-RTBURBONSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(C)[nH+]1 ZINC000421561911 1028537793 /nfs/dbraw/zinc/53/77/93/1028537793.db2.gz UFERIYSBUJOADC-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475623027 1028548836 /nfs/dbraw/zinc/54/88/36/1028548836.db2.gz XFUVRZQTPXHEON-BLLLJJGKSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475623027 1028548846 /nfs/dbraw/zinc/54/88/46/1028548846.db2.gz XFUVRZQTPXHEON-BLLLJJGKSA-N 1 2 330.255 3.763 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc2cccnc21 ZINC000079255992 1028557762 /nfs/dbraw/zinc/55/77/62/1028557762.db2.gz IBAVULXRVNIHRY-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO CSc1ccc(O[C@@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421575630 1028569184 /nfs/dbraw/zinc/56/91/84/1028569184.db2.gz KKZNFMWPEVWNBP-AWEZNQCLSA-N 1 2 330.453 3.504 20 0 EHADLO O=C(CCCc1ccc2ccccc2c1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423701568 1028569647 /nfs/dbraw/zinc/56/96/47/1028569647.db2.gz WFBJGINXPJUMOM-SFHVURJKSA-N 1 2 346.421 3.524 20 0 EHADLO O[C@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1c(F)cccc1F ZINC000195069951 1028575962 /nfs/dbraw/zinc/57/59/62/1028575962.db2.gz AWYSHBRBZDASKF-WBVHZDCISA-N 1 2 346.402 3.834 20 0 EHADLO CO[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1cccc(Cl)c1 ZINC000195074256 1028576397 /nfs/dbraw/zinc/57/63/97/1028576397.db2.gz UMUQYUPTHOEDNO-IRXDYDNUSA-N 1 2 342.830 3.525 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000459389563 1028600813 /nfs/dbraw/zinc/60/08/13/1028600813.db2.gz RCOQXHFRIKLTBT-INIZCTEOSA-N 1 2 343.427 3.658 20 0 EHADLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCC1 ZINC000455577982 1028605728 /nfs/dbraw/zinc/60/57/28/1028605728.db2.gz NRLVBZPDAVNVJC-INIZCTEOSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000074525080 1028620558 /nfs/dbraw/zinc/62/05/58/1028620558.db2.gz QKBOKUYKXNXZHM-UHFFFAOYSA-N 1 2 335.411 3.521 20 0 EHADLO CCc1nc([C@@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cs1 ZINC000074594520 1028624736 /nfs/dbraw/zinc/62/47/36/1028624736.db2.gz DUOQZOPULMUUMU-CYBMUJFWSA-N 1 2 340.452 3.691 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000472278152 1028655798 /nfs/dbraw/zinc/65/57/98/1028655798.db2.gz RIXRXVIDPVFISW-LLVKDONJSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000472278152 1028655800 /nfs/dbraw/zinc/65/58/00/1028655800.db2.gz RIXRXVIDPVFISW-LLVKDONJSA-N 1 2 325.250 3.508 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278044537 1028660403 /nfs/dbraw/zinc/66/04/03/1028660403.db2.gz LKBYASVUKSOQCH-XJKSGUPXSA-N 1 2 345.468 3.693 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278044537 1028660416 /nfs/dbraw/zinc/66/04/16/1028660416.db2.gz LKBYASVUKSOQCH-XJKSGUPXSA-N 1 2 345.468 3.693 20 0 EHADLO Cc1cccn2cc(Cc3noc(CCc4ccc(F)cc4)n3)[nH+]c12 ZINC000583056533 1028692961 /nfs/dbraw/zinc/69/29/61/1028692961.db2.gz LXICGFVWOMXVSR-UHFFFAOYSA-N 1 2 336.370 3.541 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246893209 1028709288 /nfs/dbraw/zinc/70/92/88/1028709288.db2.gz BGPQVQCJUAYJKO-LMMKCTJWSA-N 1 2 325.456 3.795 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000509673449 1028715743 /nfs/dbraw/zinc/71/57/43/1028715743.db2.gz ONYREKIVNSWWAM-KKSFZXQISA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000509673449 1028715762 /nfs/dbraw/zinc/71/57/62/1028715762.db2.gz ONYREKIVNSWWAM-KKSFZXQISA-N 1 2 339.435 3.730 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c(F)c1 ZINC000162400346 1028731137 /nfs/dbraw/zinc/73/11/37/1028731137.db2.gz QQGSJCVZPRPPKO-CQSZACIVSA-N 1 2 336.451 3.741 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1SCCc2sccc21 ZINC000079450660 1028732952 /nfs/dbraw/zinc/73/29/52/1028732952.db2.gz MSNIDLOPABSFHU-MRXNPFEDSA-N 1 2 341.461 3.903 20 0 EHADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000245513378 1028756691 /nfs/dbraw/zinc/75/66/91/1028756691.db2.gz CKFPKENVEWPYGL-RTBURBONSA-N 1 2 341.455 3.695 20 0 EHADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000245513378 1028756708 /nfs/dbraw/zinc/75/67/08/1028756708.db2.gz CKFPKENVEWPYGL-RTBURBONSA-N 1 2 341.455 3.695 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000247211161 1028758797 /nfs/dbraw/zinc/75/87/97/1028758797.db2.gz CJZDOYDELVDQMZ-ZENOOKHLSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000247211161 1028758809 /nfs/dbraw/zinc/75/88/09/1028758809.db2.gz CJZDOYDELVDQMZ-ZENOOKHLSA-N 1 2 333.407 3.889 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535240 1028778774 /nfs/dbraw/zinc/77/87/74/1028778774.db2.gz KMTDWCHBHKBDCQ-UZLBHIALSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535240 1028778790 /nfs/dbraw/zinc/77/87/90/1028778790.db2.gz KMTDWCHBHKBDCQ-UZLBHIALSA-N 1 2 325.456 3.588 20 0 EHADLO Cc1cccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000532740944 1028783585 /nfs/dbraw/zinc/78/35/85/1028783585.db2.gz WISKDCJGZAHKOR-OAQYLSRUSA-N 1 2 347.462 3.909 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000583092700 1028784962 /nfs/dbraw/zinc/78/49/62/1028784962.db2.gz XJLFQFMMTKILKP-OAHLLOKOSA-N 1 2 331.435 3.946 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000583092700 1028784977 /nfs/dbraw/zinc/78/49/77/1028784977.db2.gz XJLFQFMMTKILKP-OAHLLOKOSA-N 1 2 331.435 3.946 20 0 EHADLO CCC[N@H+](Cc1noc(C(C)C)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502890750 1028788609 /nfs/dbraw/zinc/78/86/09/1028788609.db2.gz CZGOGAHCRUAEME-OAHLLOKOSA-N 1 2 344.459 3.822 20 0 EHADLO CCC[N@@H+](Cc1noc(C(C)C)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502890750 1028788627 /nfs/dbraw/zinc/78/86/27/1028788627.db2.gz CZGOGAHCRUAEME-OAHLLOKOSA-N 1 2 344.459 3.822 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](c4c(F)cccc4F)C3)ccn12 ZINC000583093554 1028801128 /nfs/dbraw/zinc/80/11/28/1028801128.db2.gz MFWSJDPKAOMPRK-AWEZNQCLSA-N 1 2 341.361 3.551 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502887724 1028802582 /nfs/dbraw/zinc/80/25/82/1028802582.db2.gz NIPVPXGMHKMHTM-CQSZACIVSA-N 1 2 344.405 3.967 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502887724 1028802601 /nfs/dbraw/zinc/80/26/01/1028802601.db2.gz NIPVPXGMHKMHTM-CQSZACIVSA-N 1 2 344.405 3.967 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000247569007 1028805565 /nfs/dbraw/zinc/80/55/65/1028805565.db2.gz LGEWLHVRXGXAIS-POAQFYNOSA-N 1 2 337.467 3.803 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1ccncc1Cl)c1nnc2n1CCCCC2 ZINC000421826966 1028813554 /nfs/dbraw/zinc/81/35/54/1028813554.db2.gz VRARBYZNLSOSEI-WFASDCNBSA-N 1 2 333.867 3.855 20 0 EHADLO CCc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000075980634 1028827913 /nfs/dbraw/zinc/82/79/13/1028827913.db2.gz ADSALWSUVDORRU-UHFFFAOYSA-N 1 2 334.423 3.816 20 0 EHADLO CCc1cc2c(ncnc2NC[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000532781592 1028830106 /nfs/dbraw/zinc/83/01/06/1028830106.db2.gz STOMKYXDYMDZII-LBPRGKRZSA-N 1 2 327.457 3.748 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000429592971 1028876870 /nfs/dbraw/zinc/87/68/70/1028876870.db2.gz REKHNAAQYVKQPQ-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000429592971 1028876887 /nfs/dbraw/zinc/87/68/87/1028876887.db2.gz REKHNAAQYVKQPQ-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO COc1ccc(C[NH2+]Cc2n[nH]cc2Br)c2ccccc12 ZINC000524114763 1028878717 /nfs/dbraw/zinc/87/87/17/1028878717.db2.gz MJGFBFINYFFNHT-UHFFFAOYSA-N 1 2 346.228 3.624 20 0 EHADLO COCc1cnc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)s1 ZINC000424200279 1028886545 /nfs/dbraw/zinc/88/65/45/1028886545.db2.gz LWGGMVXOTQQLKJ-UHFFFAOYSA-N 1 2 340.876 3.976 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(SC)s2)s1 ZINC000424202493 1028889558 /nfs/dbraw/zinc/88/95/58/1028889558.db2.gz PRQRIIWWGYUDLM-QMMMGPOBSA-N 1 2 328.484 3.564 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2CCCCCC2)s1 ZINC000525638178 1028897286 /nfs/dbraw/zinc/89/72/86/1028897286.db2.gz WKRFRFDRSMPSKY-AWEZNQCLSA-N 1 2 337.533 3.846 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2CCCCCC2)s1 ZINC000525638178 1028897304 /nfs/dbraw/zinc/89/73/04/1028897304.db2.gz WKRFRFDRSMPSKY-AWEZNQCLSA-N 1 2 337.533 3.846 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)coc21 ZINC000424215866 1028908597 /nfs/dbraw/zinc/90/85/97/1028908597.db2.gz HHYISESGCOISEV-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)coc21 ZINC000424215866 1028908610 /nfs/dbraw/zinc/90/86/10/1028908610.db2.gz HHYISESGCOISEV-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO FC(F)(F)COc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414559026 1028921951 /nfs/dbraw/zinc/92/19/51/1028921951.db2.gz UEDWAMKLPBHTLY-UHFFFAOYSA-N 1 2 343.374 3.646 20 0 EHADLO COC(=O)CC1CC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000424288747 1028929829 /nfs/dbraw/zinc/92/98/29/1028929829.db2.gz ZIAPXLLGDLUCSR-UHFFFAOYSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532851162 1028956306 /nfs/dbraw/zinc/95/63/06/1028956306.db2.gz FONWALAGSACDLQ-HZPDHXFCSA-N 1 2 341.858 3.522 20 0 EHADLO CC(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532851162 1028956319 /nfs/dbraw/zinc/95/63/19/1028956319.db2.gz FONWALAGSACDLQ-HZPDHXFCSA-N 1 2 341.858 3.522 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)n1 ZINC000424311856 1028960468 /nfs/dbraw/zinc/96/04/68/1028960468.db2.gz VMZZDIQRGMVHHB-ZWNOBZJWSA-N 1 2 348.244 3.586 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)n1 ZINC000424311853 1028961026 /nfs/dbraw/zinc/96/10/26/1028961026.db2.gz VMZZDIQRGMVHHB-GWCFXTLKSA-N 1 2 348.244 3.586 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245682308 1029001295 /nfs/dbraw/zinc/00/12/95/1029001295.db2.gz JAWICXTVWISIQA-FVQHAEBGSA-N 1 2 341.455 3.973 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076495246 1029006692 /nfs/dbraw/zinc/00/66/92/1029006692.db2.gz ALIZLZLAVFLWQD-AWEZNQCLSA-N 1 2 346.521 3.817 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076495246 1029006701 /nfs/dbraw/zinc/00/67/01/1029006701.db2.gz ALIZLZLAVFLWQD-AWEZNQCLSA-N 1 2 346.521 3.817 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000123746375 1029016202 /nfs/dbraw/zinc/01/62/02/1029016202.db2.gz VVLCIPKIECIYDW-KGLIPLIRSA-N 1 2 338.411 3.942 20 0 EHADLO CC(=O)Nc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cn1 ZINC000343080576 1029029276 /nfs/dbraw/zinc/02/92/76/1029029276.db2.gz JQDLGIYFYCFENE-UHFFFAOYSA-N 1 2 326.787 3.854 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000076716983 1029037302 /nfs/dbraw/zinc/03/73/02/1029037302.db2.gz RQUUDXKPXCFOSV-RHSMWYFYSA-N 1 2 345.443 3.903 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000076716983 1029037313 /nfs/dbraw/zinc/03/73/13/1029037313.db2.gz RQUUDXKPXCFOSV-RHSMWYFYSA-N 1 2 345.443 3.903 20 0 EHADLO COCCN(Cc1cncs1)c1cc[nH+]c2c(Cl)cccc12 ZINC000343083506 1029048979 /nfs/dbraw/zinc/04/89/79/1029048979.db2.gz MAPBUNFMTSCUCL-UHFFFAOYSA-N 1 2 333.844 3.998 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H](C)Oc2ccccc2Cl)c[nH+]1 ZINC000454571825 1029049137 /nfs/dbraw/zinc/04/91/37/1029049137.db2.gz UCSGGGZHWGNWAM-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](CCCOCCc2ccccc2)CCO1 ZINC000524307453 1029070545 /nfs/dbraw/zinc/07/05/45/1029070545.db2.gz FIJDJCWVQNIZJG-OAQYLSRUSA-N 1 2 343.442 3.848 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](CCCOCCc2ccccc2)CCO1 ZINC000524307453 1029070555 /nfs/dbraw/zinc/07/05/55/1029070555.db2.gz FIJDJCWVQNIZJG-OAQYLSRUSA-N 1 2 343.442 3.848 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(F)(F)F ZINC000079701295 1029073092 /nfs/dbraw/zinc/07/30/92/1029073092.db2.gz DQOHXPIVFMEANA-SNVBAGLBSA-N 1 2 335.395 3.512 20 0 EHADLO Cc1nc(CC[NH2+][C@@H](c2nccn2C)c2ccccc2Cl)c(C)o1 ZINC000583162941 1029075233 /nfs/dbraw/zinc/07/52/33/1029075233.db2.gz ZNQDADNMYUUWAY-QGZVFWFLSA-N 1 2 344.846 3.600 20 0 EHADLO Cc1cc(CNC(=O)C[C@H](c2cccs2)n2cccc2)cc(C)[nH+]1 ZINC000422136102 1029089709 /nfs/dbraw/zinc/08/97/09/1029089709.db2.gz KSCCMYCFTBMWGE-QGZVFWFLSA-N 1 2 339.464 3.857 20 0 EHADLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000422176094 1029112365 /nfs/dbraw/zinc/11/23/65/1029112365.db2.gz BADXHUQLDDBRJE-SFHVURJKSA-N 1 2 348.450 3.812 20 0 EHADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000524398377 1029144500 /nfs/dbraw/zinc/14/45/00/1029144500.db2.gz ASHNRTNGGYJNPI-UHFFFAOYSA-N 1 2 343.858 3.822 20 0 EHADLO Cc1cccc2c(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)coc21 ZINC000424573737 1029148435 /nfs/dbraw/zinc/14/84/35/1029148435.db2.gz ZNUMOSCLDWBQIP-UHFFFAOYSA-N 1 2 335.407 3.666 20 0 EHADLO C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000424602037 1029160480 /nfs/dbraw/zinc/16/04/80/1029160480.db2.gz DTGIOOFDHRJNNE-HOTGVXAUSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(CC3CC3)C(C)C)cn2c1 ZINC000524437788 1029174256 /nfs/dbraw/zinc/17/42/56/1029174256.db2.gz UEWYFTKSEIRWTG-UHFFFAOYSA-N 1 2 331.485 3.523 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](CC(C)C)c2ccccc2OC)s1 ZINC000271801492 1029177172 /nfs/dbraw/zinc/17/71/72/1029177172.db2.gz PHVHNZIESXUCDQ-CQSZACIVSA-N 1 2 335.473 3.822 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000271806202 1029178513 /nfs/dbraw/zinc/17/85/13/1029178513.db2.gz QKVRZMBPSORKPP-QGZVFWFLSA-N 1 2 334.414 3.770 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000079804422 1029198992 /nfs/dbraw/zinc/19/89/92/1029198992.db2.gz BZBSNHYMEWVRIB-HNNXBMFYSA-N 1 2 327.428 3.607 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424638563 1029199648 /nfs/dbraw/zinc/19/96/48/1029199648.db2.gz KJCSTNIZEZBMBK-FUHWJXTLSA-N 1 2 325.456 3.693 20 0 EHADLO CCC[C@H]([NH2+]Cc1c(CC)nn(C)c1OC)c1ncccc1Cl ZINC000925294962 1029199669 /nfs/dbraw/zinc/19/96/69/1029199669.db2.gz NKGBJCMUBKWJOE-HNNXBMFYSA-N 1 2 336.867 3.671 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152020747 1029212673 /nfs/dbraw/zinc/21/26/73/1029212673.db2.gz JOHYPTSIFIEIDU-ZDUSSCGKSA-N 1 2 327.384 3.921 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152020747 1029212688 /nfs/dbraw/zinc/21/26/88/1029212688.db2.gz JOHYPTSIFIEIDU-ZDUSSCGKSA-N 1 2 327.384 3.921 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000271916778 1029229515 /nfs/dbraw/zinc/22/95/15/1029229515.db2.gz CQXJXVMNIBJOHS-ZDUSSCGKSA-N 1 2 346.862 3.939 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000454734090 1029245805 /nfs/dbraw/zinc/24/58/05/1029245805.db2.gz HUZMTSFQGKEMJK-CVEARBPZSA-N 1 2 345.487 3.780 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000278135596 1029250014 /nfs/dbraw/zinc/25/00/14/1029250014.db2.gz XMBCPNAGLWGCAE-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+](C)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000278135596 1029249997 /nfs/dbraw/zinc/24/99/97/1029249997.db2.gz XMBCPNAGLWGCAE-JTQLQIEISA-N 1 2 344.242 3.758 20 0 EHADLO CCC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000454737603 1029252376 /nfs/dbraw/zinc/25/23/76/1029252376.db2.gz KOKBYGZZUDXOQO-INIZCTEOSA-N 1 2 345.487 3.924 20 0 EHADLO CCC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000524523461 1029279720 /nfs/dbraw/zinc/27/97/20/1029279720.db2.gz ZWGNLIRQMHMCOQ-GOSISDBHSA-N 1 2 346.519 3.810 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccs1 ZINC000533089749 1029316789 /nfs/dbraw/zinc/31/67/89/1029316789.db2.gz LOFKVZJNGRFUGI-BBRMVZONSA-N 1 2 340.558 3.779 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000533718071 1029331418 /nfs/dbraw/zinc/33/14/18/1029331418.db2.gz AWSNXLLUQQXVCN-IRXDYDNUSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)on1 ZINC000272296944 1029403533 /nfs/dbraw/zinc/40/35/33/1029403533.db2.gz VZDXOXQYPLLUHR-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)on1 ZINC000272296944 1029403538 /nfs/dbraw/zinc/40/35/38/1029403538.db2.gz VZDXOXQYPLLUHR-HNNXBMFYSA-N 1 2 329.448 3.528 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000016563902 1029416897 /nfs/dbraw/zinc/41/68/97/1029416897.db2.gz LCTUFQZKMZSUSK-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000016563902 1029416909 /nfs/dbraw/zinc/41/69/09/1029416909.db2.gz LCTUFQZKMZSUSK-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO Cc1cn2cc(NC(=O)CCc3cn(C)c4ccccc34)ccc2[nH+]1 ZINC000446149865 1029437537 /nfs/dbraw/zinc/43/75/37/1029437537.db2.gz QDAFEHGGPTYHSC-UHFFFAOYSA-N 1 2 332.407 3.706 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459384967 1029440316 /nfs/dbraw/zinc/44/03/16/1029440316.db2.gz JGMVZDVTEJXJLP-SZVBFZGTSA-N 1 2 345.487 3.636 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000150855816 1029443042 /nfs/dbraw/zinc/44/30/42/1029443042.db2.gz KZWXNSGSGSSULZ-UONOGXRCSA-N 1 2 340.402 3.827 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000505300777 1029449950 /nfs/dbraw/zinc/44/99/50/1029449950.db2.gz ZHCUJDXKCVGHEY-QGZVFWFLSA-N 1 2 325.456 3.557 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCc2c(F)cccc2Cl)n1 ZINC000072762132 1029524833 /nfs/dbraw/zinc/52/48/33/1029524833.db2.gz BTJSXLFWCLOGSM-NSHDSACASA-N 1 2 341.814 3.634 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCc2c(F)cccc2Cl)n1 ZINC000072762132 1029524850 /nfs/dbraw/zinc/52/48/50/1029524850.db2.gz BTJSXLFWCLOGSM-NSHDSACASA-N 1 2 341.814 3.634 20 0 EHADLO CC(C)COc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272670602 1029558603 /nfs/dbraw/zinc/55/86/03/1029558603.db2.gz QESNKKQTXPQASE-QGZVFWFLSA-N 1 2 345.443 3.553 20 0 EHADLO CC(C)COc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272670602 1029558610 /nfs/dbraw/zinc/55/86/10/1029558610.db2.gz QESNKKQTXPQASE-QGZVFWFLSA-N 1 2 345.443 3.553 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272671399 1029559109 /nfs/dbraw/zinc/55/91/09/1029559109.db2.gz QGLNFMGIMLKJNI-OAHLLOKOSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272671399 1029559111 /nfs/dbraw/zinc/55/91/11/1029559111.db2.gz QGLNFMGIMLKJNI-OAHLLOKOSA-N 1 2 341.436 3.680 20 0 EHADLO CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000272674752 1029560427 /nfs/dbraw/zinc/56/04/27/1029560427.db2.gz AKMRXVBKZNKQAX-DZGCQCFKSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(C)o1 ZINC000272678537 1029563019 /nfs/dbraw/zinc/56/30/19/1029563019.db2.gz RMMGAACMTVAOPL-QGZVFWFLSA-N 1 2 339.395 3.520 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(C)o1 ZINC000272678537 1029563026 /nfs/dbraw/zinc/56/30/26/1029563026.db2.gz RMMGAACMTVAOPL-QGZVFWFLSA-N 1 2 339.395 3.520 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1nc2c(s1)CCC2 ZINC000533299609 1029602950 /nfs/dbraw/zinc/60/29/50/1029602950.db2.gz QQBUOMVZOQFYKN-AWEZNQCLSA-N 1 2 345.468 3.781 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1nc2c(s1)CCC2 ZINC000533299609 1029602954 /nfs/dbraw/zinc/60/29/54/1029602954.db2.gz QQBUOMVZOQFYKN-AWEZNQCLSA-N 1 2 345.468 3.781 20 0 EHADLO CC(C)N(Cc1ccccn1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666824160 1029625915 /nfs/dbraw/zinc/62/59/15/1029625915.db2.gz KFYVZSGBXRLOAB-LJQANCHMSA-N 1 2 348.450 3.764 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)sc1C ZINC000533335477 1029634254 /nfs/dbraw/zinc/63/42/54/1029634254.db2.gz MDPCPRXJUHPWPY-GFCCVEGCSA-N 1 2 329.469 3.572 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)sc1C ZINC000533335477 1029634257 /nfs/dbraw/zinc/63/42/57/1029634257.db2.gz MDPCPRXJUHPWPY-GFCCVEGCSA-N 1 2 329.469 3.572 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000343177302 1029639768 /nfs/dbraw/zinc/63/97/68/1029639768.db2.gz RIUOQOGMVLGQPD-PZJWPPBQSA-N 1 2 345.446 3.546 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000524976353 1029643468 /nfs/dbraw/zinc/64/34/68/1029643468.db2.gz YQPLMVMLQMMQRK-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO C/C(=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000126160409 1029675160 /nfs/dbraw/zinc/67/51/60/1029675160.db2.gz RKDMZBNHPZRXEJ-MEMPGGEMSA-N 1 2 327.403 3.535 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000525128390 1029699285 /nfs/dbraw/zinc/69/92/85/1029699285.db2.gz CWYDVBXAUOSKHK-QGZVFWFLSA-N 1 2 342.487 3.858 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(Br)cs1 ZINC000343193192 1029702523 /nfs/dbraw/zinc/70/25/23/1029702523.db2.gz STACJKRVCKZSOR-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO Cc1cnc([C@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cn1 ZINC000428448033 1029706322 /nfs/dbraw/zinc/70/63/22/1029706322.db2.gz OLRNDPSXMWWWKZ-ZDUSSCGKSA-N 1 2 345.393 3.719 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000428449751 1029719045 /nfs/dbraw/zinc/71/90/45/1029719045.db2.gz XADSFWALZNDAFJ-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000428449751 1029719052 /nfs/dbraw/zinc/71/90/52/1029719052.db2.gz XADSFWALZNDAFJ-UHFFFAOYSA-N 1 2 330.428 3.511 20 0 EHADLO Cc1cc(N[C@@H](C)c2noc(Cc3ccccc3)n2)nc(C2CC2)[nH+]1 ZINC000080247220 1029752970 /nfs/dbraw/zinc/75/29/70/1029752970.db2.gz LTJCNVGQQVSXQA-ZDUSSCGKSA-N 1 2 335.411 3.809 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cs1 ZINC000126600013 1029760313 /nfs/dbraw/zinc/76/03/13/1029760313.db2.gz HGTFDFMSRRJTLO-SNVBAGLBSA-N 1 2 333.848 3.536 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCN1CCCC1=O ZINC000446728968 1029776859 /nfs/dbraw/zinc/77/68/59/1029776859.db2.gz NFDXFCBVVOVLET-LLVKDONJSA-N 1 2 327.255 3.535 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCN1CCCC1=O ZINC000446728968 1029776866 /nfs/dbraw/zinc/77/68/66/1029776866.db2.gz NFDXFCBVVOVLET-LLVKDONJSA-N 1 2 327.255 3.535 20 0 EHADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000446767217 1029787460 /nfs/dbraw/zinc/78/74/60/1029787460.db2.gz KHVOWAONDMXEMD-UHFFFAOYSA-N 1 2 330.403 3.574 20 0 EHADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000446767217 1029787466 /nfs/dbraw/zinc/78/74/66/1029787466.db2.gz KHVOWAONDMXEMD-UHFFFAOYSA-N 1 2 330.403 3.574 20 0 EHADLO Fc1cccc(Cl)c1CCCNc1ccc(N2CCOCC2)[nH+]c1 ZINC000446809895 1029806085 /nfs/dbraw/zinc/80/60/85/1029806085.db2.gz LMDITARDYAOGJM-UHFFFAOYSA-N 1 2 349.837 3.755 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536022618 1029819578 /nfs/dbraw/zinc/81/95/78/1029819578.db2.gz SEWPESHEWSZCRP-CVEARBPZSA-N 1 2 346.521 3.566 20 0 EHADLO CC(C)Cc1ncc(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000163030542 1029824789 /nfs/dbraw/zinc/82/47/89/1029824789.db2.gz RBLSAIWZPGEJTR-UHFFFAOYSA-N 1 2 345.512 3.786 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000455716524 1029869045 /nfs/dbraw/zinc/86/90/45/1029869045.db2.gz PZCJCSWZERLMES-MOPGFXCFSA-N 1 2 337.467 3.898 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=CC[C@@H](C)CC1 ZINC000455718008 1029869663 /nfs/dbraw/zinc/86/96/63/1029869663.db2.gz KXBOWTZOTBPGFW-OAHLLOKOSA-N 1 2 328.456 3.512 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1cnc(C)cn1 ZINC000428466484 1029907050 /nfs/dbraw/zinc/90/70/50/1029907050.db2.gz WXBUEPMSLQGUNJ-MRXNPFEDSA-N 1 2 326.444 3.505 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1cnc(C)cn1 ZINC000428466484 1029907065 /nfs/dbraw/zinc/90/70/65/1029907065.db2.gz WXBUEPMSLQGUNJ-MRXNPFEDSA-N 1 2 326.444 3.505 20 0 EHADLO Cc1cccnc1CCc1noc([C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000453220630 1029930871 /nfs/dbraw/zinc/93/08/71/1029930871.db2.gz JHDKZCBLKBPVKX-MRXNPFEDSA-N 1 2 336.439 3.751 20 0 EHADLO Cc1cccnc1CCc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000453220630 1029930888 /nfs/dbraw/zinc/93/08/88/1029930888.db2.gz JHDKZCBLKBPVKX-MRXNPFEDSA-N 1 2 336.439 3.751 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000531868786 1029942223 /nfs/dbraw/zinc/94/22/23/1029942223.db2.gz IVQWIMNLEWHLGZ-CQSZACIVSA-N 1 2 346.427 3.878 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000531868786 1029942243 /nfs/dbraw/zinc/94/22/43/1029942243.db2.gz IVQWIMNLEWHLGZ-CQSZACIVSA-N 1 2 346.427 3.878 20 0 EHADLO Clc1ccc(OCC[N@@H+]2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000429714764 1029948731 /nfs/dbraw/zinc/94/87/31/1029948731.db2.gz HBNUYSFXVMNFCD-AWEZNQCLSA-N 1 2 326.227 3.932 20 0 EHADLO Clc1ccc(OCC[N@H+]2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000429714764 1029948749 /nfs/dbraw/zinc/94/87/49/1029948749.db2.gz HBNUYSFXVMNFCD-AWEZNQCLSA-N 1 2 326.227 3.932 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(Br)cc2C)c[nH+]1 ZINC000899952346 1029971842 /nfs/dbraw/zinc/97/18/42/1029971842.db2.gz BSVZQFLKQINOJW-UHFFFAOYSA-N 1 2 336.233 3.636 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(CO)on2)c(OCCC(C)C)c1 ZINC000925250314 1030021748 /nfs/dbraw/zinc/02/17/48/1030021748.db2.gz BVEZUXDYWSBCJE-HNNXBMFYSA-N 1 2 332.444 3.751 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@](C)(CCc2ccccc2)C1)n1cc[nH+]c1 ZINC000565046500 1030037113 /nfs/dbraw/zinc/03/71/13/1030037113.db2.gz KOEMPLYIVDRQKI-YLJYHZDGSA-N 1 2 325.456 3.706 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cn3cccnc3n2)c2cccs2)cc1 ZINC000531903864 1030056161 /nfs/dbraw/zinc/05/61/61/1030056161.db2.gz CQDMGZDUEJRXKV-KRWDZBQOSA-N 1 2 338.411 3.809 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cn3cccnc3n2)c2cccs2)cc1 ZINC000531903865 1030056643 /nfs/dbraw/zinc/05/66/43/1030056643.db2.gz CQDMGZDUEJRXKV-QGZVFWFLSA-N 1 2 338.411 3.809 20 0 EHADLO C[C@](CO)([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000600647492 1030085420 /nfs/dbraw/zinc/08/54/20/1030085420.db2.gz UBCFWKSKZWQPEC-LJQANCHMSA-N 1 2 342.826 3.992 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000120887299 1030102096 /nfs/dbraw/zinc/10/20/96/1030102096.db2.gz LEHMYBFEXDAJQJ-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1OC(F)F ZINC000453333234 1030114175 /nfs/dbraw/zinc/11/41/75/1030114175.db2.gz BKLCOUISMAFHGK-OUJBWJOFSA-N 1 2 325.334 3.980 20 0 EHADLO CCc1sc(-c2nnc(C[NH+]3C[C@H](C)S[C@@H](C)C3)o2)cc1C ZINC000525786276 1030124258 /nfs/dbraw/zinc/12/42/58/1030124258.db2.gz IOHGYVJVXVTRQG-RYUDHWBXSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121009540 1030157923 /nfs/dbraw/zinc/15/79/23/1030157923.db2.gz QMGQRGZSMHGGPN-JXFKEZNVSA-N 1 2 338.451 3.818 20 0 EHADLO Cc1cc2[nH]c(C[N@H+](C)CC(=O)NCc3cccs3)cc2c(C)c1 ZINC000482006917 1030159997 /nfs/dbraw/zinc/15/99/97/1030159997.db2.gz IRFDPXCHFVRWPB-UHFFFAOYSA-N 1 2 341.480 3.594 20 0 EHADLO Cc1cc2[nH]c(C[N@@H+](C)CC(=O)NCc3cccs3)cc2c(C)c1 ZINC000482006917 1030160008 /nfs/dbraw/zinc/16/00/08/1030160008.db2.gz IRFDPXCHFVRWPB-UHFFFAOYSA-N 1 2 341.480 3.594 20 0 EHADLO Brc1cncc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000157900780 1030163624 /nfs/dbraw/zinc/16/36/24/1030163624.db2.gz BCSYGNKCIUWQLO-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)o1 ZINC000537634290 1030173461 /nfs/dbraw/zinc/17/34/61/1030173461.db2.gz GQWWLYNKCZVLGK-UHFFFAOYSA-N 1 2 339.338 3.804 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)o1 ZINC000537634290 1030173469 /nfs/dbraw/zinc/17/34/69/1030173469.db2.gz GQWWLYNKCZVLGK-UHFFFAOYSA-N 1 2 339.338 3.804 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000159575424 1030273392 /nfs/dbraw/zinc/27/33/92/1030273392.db2.gz YAZYLJHYWGVNRE-IVZQSRNASA-N 1 2 336.526 3.650 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000482223687 1030276743 /nfs/dbraw/zinc/27/67/43/1030276743.db2.gz WWYSDMZRAOKWQE-UHFFFAOYSA-N 1 2 325.742 3.695 20 0 EHADLO Cc1nc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(C)s1 ZINC000157210767 1030372152 /nfs/dbraw/zinc/37/21/52/1030372152.db2.gz SRKFLHWSPPUIDO-UHFFFAOYSA-N 1 2 346.843 3.780 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000509653098 1030374056 /nfs/dbraw/zinc/37/40/56/1030374056.db2.gz ZRWMOEVGBXZQSX-SECBINFHSA-N 1 2 336.226 3.868 20 0 EHADLO Cn1ccnc1C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278363317 1030381397 /nfs/dbraw/zinc/38/13/97/1030381397.db2.gz FLQNSAJOYCQWJG-UHFFFAOYSA-N 1 2 347.462 3.571 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000668037768 1030400387 /nfs/dbraw/zinc/40/03/87/1030400387.db2.gz DCOVOTGZUZSYOI-WBVHZDCISA-N 1 2 326.444 3.554 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)s1 ZINC000453621091 1030411665 /nfs/dbraw/zinc/41/16/65/1030411665.db2.gz MBDUHFAVQVSQKD-INIZCTEOSA-N 1 2 342.530 3.560 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)s1 ZINC000453621091 1030411679 /nfs/dbraw/zinc/41/16/79/1030411679.db2.gz MBDUHFAVQVSQKD-INIZCTEOSA-N 1 2 342.530 3.560 20 0 EHADLO CC(C)(CNC(=O)Cc1coc2ccc3ccccc3c12)n1cc[nH+]c1 ZINC001168348187 1030423553 /nfs/dbraw/zinc/42/35/53/1030423553.db2.gz BAZBFLCVOBYMKT-UHFFFAOYSA-N 1 2 347.418 3.877 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567968135 1030438039 /nfs/dbraw/zinc/43/80/39/1030438039.db2.gz ZSQQTYYWGZVHNX-DYVFJYSZSA-N 1 2 347.821 3.506 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC000447730527 1030442338 /nfs/dbraw/zinc/44/23/38/1030442338.db2.gz KYLNTDDXVZACKU-KRWDZBQOSA-N 1 2 334.423 3.804 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2F)C[C@@]2(CCCOC2)O1 ZINC000482458468 1030443314 /nfs/dbraw/zinc/44/33/14/1030443314.db2.gz XGLXJXNTEDXPJI-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@]2(CCCOC2)O1 ZINC000482458468 1030443321 /nfs/dbraw/zinc/44/33/21/1030443321.db2.gz XGLXJXNTEDXPJI-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)o1 ZINC000532157233 1030443795 /nfs/dbraw/zinc/44/37/95/1030443795.db2.gz ACXDSVASMLPAMZ-QGZVFWFLSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)o1 ZINC000532157233 1030443804 /nfs/dbraw/zinc/44/38/04/1030443804.db2.gz ACXDSVASMLPAMZ-QGZVFWFLSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000052525769 1030507998 /nfs/dbraw/zinc/50/79/98/1030507998.db2.gz ZNXHCSDKMQGLRG-UHFFFAOYSA-N 1 2 349.500 3.710 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000343363797 1030508802 /nfs/dbraw/zinc/50/88/02/1030508802.db2.gz XESVFCZHXOSQID-UHFFFAOYSA-N 1 2 346.587 3.536 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc2ccccc2c1 ZINC000343362936 1030519981 /nfs/dbraw/zinc/51/99/81/1030519981.db2.gz BXGODNQXKYRLPL-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2ccccc2o1 ZINC000343372547 1030555298 /nfs/dbraw/zinc/55/52/98/1030555298.db2.gz YKTUHGLLORUYDX-CQSZACIVSA-N 1 2 346.390 3.815 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060469145 1030564144 /nfs/dbraw/zinc/56/41/44/1030564144.db2.gz FOFXSMSHPGPBAQ-KRWDZBQOSA-N 1 2 335.455 3.781 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060469145 1030564151 /nfs/dbraw/zinc/56/41/51/1030564151.db2.gz FOFXSMSHPGPBAQ-KRWDZBQOSA-N 1 2 335.455 3.781 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000532345594 1030572157 /nfs/dbraw/zinc/57/21/57/1030572157.db2.gz GWEGGXPCANROKM-MAUKXSAKSA-N 1 2 337.423 3.672 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc[nH]c1C1CCC1)c1ccccc1 ZINC000685192297 1030581021 /nfs/dbraw/zinc/58/10/21/1030581021.db2.gz VLDXTGISFZAMKF-GOSISDBHSA-N 1 2 348.450 3.730 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)c(C)c[nH+]1 ZINC000527035160 1030585331 /nfs/dbraw/zinc/58/53/31/1030585331.db2.gz ZTWZUKMYHWFCDL-UHFFFAOYSA-N 1 2 326.293 3.839 20 0 EHADLO Cc1cccn2c(CN(C)Cc3nccn3Cc3ccccc3)c[nH+]c12 ZINC000093337205 1030587433 /nfs/dbraw/zinc/58/74/33/1030587433.db2.gz FUIMASRFIGIVJK-UHFFFAOYSA-N 1 2 345.450 3.520 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093363999 1030593850 /nfs/dbraw/zinc/59/38/50/1030593850.db2.gz HTQGCYTVNYXZES-UHFFFAOYSA-N 1 2 349.413 3.735 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093363999 1030593858 /nfs/dbraw/zinc/59/38/58/1030593858.db2.gz HTQGCYTVNYXZES-UHFFFAOYSA-N 1 2 349.413 3.735 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Sc2ccccc2)cc1 ZINC000093384674 1030597302 /nfs/dbraw/zinc/59/73/02/1030597302.db2.gz SSIDGRQZSOIXRC-HNNXBMFYSA-N 1 2 349.521 3.703 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Sc2ccccc2)cc1 ZINC000093384674 1030597314 /nfs/dbraw/zinc/59/73/14/1030597314.db2.gz SSIDGRQZSOIXRC-HNNXBMFYSA-N 1 2 349.521 3.703 20 0 EHADLO Nc1nc(N[C@H]2CCCc3cn(C4CCCC4)nc32)[nH+]c2ccccc12 ZINC000527073551 1030624192 /nfs/dbraw/zinc/62/41/92/1030624192.db2.gz HIGLQARPQZWYQT-KRWDZBQOSA-N 1 2 348.454 3.843 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)n1C(C)C ZINC000060677254 1030638238 /nfs/dbraw/zinc/63/82/38/1030638238.db2.gz DERTYHMSDFGPKX-UHFFFAOYSA-N 1 2 345.512 3.705 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C4C(C)(C)C4(C)C)[nH]n3)ccn12 ZINC001143451587 1030640033 /nfs/dbraw/zinc/64/00/33/1030640033.db2.gz CDPFVNXRUINWID-UHFFFAOYSA-N 1 2 337.427 3.768 20 0 EHADLO Cc1cc(F)ccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122503568 1030656201 /nfs/dbraw/zinc/65/62/01/1030656201.db2.gz MSWVUTULNHNAOH-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000343394909 1030670962 /nfs/dbraw/zinc/67/09/62/1030670962.db2.gz ASGMFSYZUNYOQJ-SFHVURJKSA-N 1 2 343.496 3.679 20 0 EHADLO Cn1nccc1[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000448033656 1030673603 /nfs/dbraw/zinc/67/36/03/1030673603.db2.gz YUBXGESPCUANDQ-IAGOWNOFSA-N 1 2 339.487 3.944 20 0 EHADLO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841625 1030685005 /nfs/dbraw/zinc/68/50/05/1030685005.db2.gz ZHKRJVCGZXZPHT-QGZVFWFLSA-N 1 2 343.814 3.897 20 0 EHADLO Clc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841625 1030685012 /nfs/dbraw/zinc/68/50/12/1030685012.db2.gz ZHKRJVCGZXZPHT-QGZVFWFLSA-N 1 2 343.814 3.897 20 0 EHADLO CCOc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1OC(F)F ZINC000127346025 1030692800 /nfs/dbraw/zinc/69/28/00/1030692800.db2.gz HVLHEIGRMIGJGZ-UHFFFAOYSA-N 1 2 340.370 3.924 20 0 EHADLO CCOc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1OC(F)F ZINC000127346025 1030692812 /nfs/dbraw/zinc/69/28/12/1030692812.db2.gz HVLHEIGRMIGJGZ-UHFFFAOYSA-N 1 2 340.370 3.924 20 0 EHADLO O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171009348 1030710617 /nfs/dbraw/zinc/71/06/17/1030710617.db2.gz BLQPNYWIGBENOE-VQTJNVASSA-N 1 2 347.418 3.522 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239016 1030728150 /nfs/dbraw/zinc/72/81/50/1030728150.db2.gz BXVUXZGJGVUCTI-KBXCAEBGSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239016 1030728168 /nfs/dbraw/zinc/72/81/68/1030728168.db2.gz BXVUXZGJGVUCTI-KBXCAEBGSA-N 1 2 336.501 3.571 20 0 EHADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccccc2C(F)(F)F)no1 ZINC000583781755 1030729753 /nfs/dbraw/zinc/72/97/53/1030729753.db2.gz ZTLIZHLCCWRSEM-UHFFFAOYSA-N 1 2 342.317 3.505 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)C2 ZINC000527247396 1030736551 /nfs/dbraw/zinc/73/65/51/1030736551.db2.gz JSKUAHPXJJNQDM-OAGGEKHMSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)CC2 ZINC000527247396 1030736561 /nfs/dbraw/zinc/73/65/61/1030736561.db2.gz JSKUAHPXJJNQDM-OAGGEKHMSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000550886033 1030764406 /nfs/dbraw/zinc/76/44/06/1030764406.db2.gz BKVWENZTPQUQHE-GOSISDBHSA-N 1 2 342.393 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)c1nccn1C ZINC000657794035 1030783751 /nfs/dbraw/zinc/78/37/51/1030783751.db2.gz MMCPAADYCYVFPN-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2F)n1)[C@@H](CCO)c1ccccc1 ZINC000527325162 1030797717 /nfs/dbraw/zinc/79/77/17/1030797717.db2.gz MZSAVSQKZHTXBS-IBGZPJMESA-N 1 2 339.414 3.567 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2F)n1)[C@@H](CCO)c1ccccc1 ZINC000527325162 1030797728 /nfs/dbraw/zinc/79/77/28/1030797728.db2.gz MZSAVSQKZHTXBS-IBGZPJMESA-N 1 2 339.414 3.567 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161888344 1030798529 /nfs/dbraw/zinc/79/85/29/1030798529.db2.gz QCVSWGDITOQZCV-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161888344 1030798543 /nfs/dbraw/zinc/79/85/43/1030798543.db2.gz QCVSWGDITOQZCV-OAHLLOKOSA-N 1 2 345.516 3.821 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000122960433 1030801458 /nfs/dbraw/zinc/80/14/58/1030801458.db2.gz KXPFJBLYQQPZBA-CYBMUJFWSA-N 1 2 330.375 3.948 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000666033554 1030804303 /nfs/dbraw/zinc/80/43/03/1030804303.db2.gz RKGPNJSWWMNXJX-LJQANCHMSA-N 1 2 342.443 3.662 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171928596 1030850464 /nfs/dbraw/zinc/85/04/64/1030850464.db2.gz SKCHZGASNACMQZ-UHFFFAOYSA-N 1 2 347.393 3.707 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171928596 1030850489 /nfs/dbraw/zinc/85/04/89/1030850489.db2.gz SKCHZGASNACMQZ-UHFFFAOYSA-N 1 2 347.393 3.707 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@H](c4cccs4)C3)cnc21 ZINC000157791660 1030852215 /nfs/dbraw/zinc/85/22/15/1030852215.db2.gz DWNZQFFWPOWTSE-INIZCTEOSA-N 1 2 342.468 3.647 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@H](c4cccs4)C3)cnc21 ZINC000157791660 1030852228 /nfs/dbraw/zinc/85/22/28/1030852228.db2.gz DWNZQFFWPOWTSE-INIZCTEOSA-N 1 2 342.468 3.647 20 0 EHADLO COc1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000550989560 1030861549 /nfs/dbraw/zinc/86/15/49/1030861549.db2.gz QVUHEOMLXWEABV-UHFFFAOYSA-N 1 2 335.407 3.869 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000537659491 1030885737 /nfs/dbraw/zinc/88/57/37/1030885737.db2.gz KJMBKEOJRRAXPS-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000537659491 1030885754 /nfs/dbraw/zinc/88/57/54/1030885754.db2.gz KJMBKEOJRRAXPS-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000537659491 1030885774 /nfs/dbraw/zinc/88/57/74/1030885774.db2.gz KJMBKEOJRRAXPS-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000537659491 1030885795 /nfs/dbraw/zinc/88/57/95/1030885795.db2.gz KJMBKEOJRRAXPS-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000115778196 1030916861 /nfs/dbraw/zinc/91/68/61/1030916861.db2.gz VJEZAAJEMOEWDN-UHFFFAOYSA-N 1 2 342.443 3.883 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000172632352 1030952280 /nfs/dbraw/zinc/95/22/80/1030952280.db2.gz UPXFDBZFIPISEC-SFHVURJKSA-N 1 2 331.419 3.577 20 0 EHADLO Fc1ccc([C@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000483100216 1030952762 /nfs/dbraw/zinc/95/27/62/1030952762.db2.gz RXJCBYPJFYVLTL-KRWDZBQOSA-N 1 2 337.398 3.789 20 0 EHADLO Fc1ccc([C@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000483100216 1030952771 /nfs/dbraw/zinc/95/27/71/1030952771.db2.gz RXJCBYPJFYVLTL-KRWDZBQOSA-N 1 2 337.398 3.789 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)o1 ZINC000131137228 1030966556 /nfs/dbraw/zinc/96/65/56/1030966556.db2.gz OCYKHJGZEGOAPH-MRXNPFEDSA-N 1 2 339.395 3.813 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)o1 ZINC000131137228 1030966570 /nfs/dbraw/zinc/96/65/70/1030966570.db2.gz OCYKHJGZEGOAPH-MRXNPFEDSA-N 1 2 339.395 3.813 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000448335987 1030974106 /nfs/dbraw/zinc/97/41/06/1030974106.db2.gz YHKIQKLELOCKHJ-HXUWFJFHSA-N 1 2 325.456 3.653 20 0 EHADLO c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000448335987 1030974125 /nfs/dbraw/zinc/97/41/25/1030974125.db2.gz YHKIQKLELOCKHJ-HXUWFJFHSA-N 1 2 325.456 3.653 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccc(F)cc1F ZINC000483115215 1030979197 /nfs/dbraw/zinc/97/91/97/1030979197.db2.gz CUPZFKCXVSNDDR-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccc(F)cc1F ZINC000483115215 1030979212 /nfs/dbraw/zinc/97/92/12/1030979212.db2.gz CUPZFKCXVSNDDR-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000172849835 1031012398 /nfs/dbraw/zinc/01/23/98/1031012398.db2.gz GBYAJOUHHFNOFH-GFCCVEGCSA-N 1 2 327.334 3.893 20 0 EHADLO CCCOc1ccc(C(C)(C)[NH2+]Cc2occc2C(=O)OC)cc1 ZINC000483266514 1031076638 /nfs/dbraw/zinc/07/66/38/1031076638.db2.gz ARCGBMZCFFDLMY-UHFFFAOYSA-N 1 2 331.412 3.880 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000278491674 1031095016 /nfs/dbraw/zinc/09/50/16/1031095016.db2.gz UAZZKYIGXCGOLC-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000278491674 1031095034 /nfs/dbraw/zinc/09/50/34/1031095034.db2.gz UAZZKYIGXCGOLC-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cs1 ZINC000247495893 1031100369 /nfs/dbraw/zinc/10/03/69/1031100369.db2.gz MQIJKZSRDQHRBA-UXXRCYHCSA-N 1 2 337.533 3.686 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CCC2CC2)nc1-c1cccnc1 ZINC000760537220 1031106305 /nfs/dbraw/zinc/10/63/05/1031106305.db2.gz DMRJZXNKYSPKPJ-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CCC2CC2)nc1-c1cccnc1 ZINC000760537220 1031106322 /nfs/dbraw/zinc/10/63/22/1031106322.db2.gz DMRJZXNKYSPKPJ-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527675813 1031110602 /nfs/dbraw/zinc/11/06/02/1031110602.db2.gz COUVTPBDKCNRRE-KRWDZBQOSA-N 1 2 332.831 3.556 20 0 EHADLO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527675813 1031110609 /nfs/dbraw/zinc/11/06/09/1031110609.db2.gz COUVTPBDKCNRRE-KRWDZBQOSA-N 1 2 332.831 3.556 20 0 EHADLO C[C@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483377986 1031134896 /nfs/dbraw/zinc/13/48/96/1031134896.db2.gz DQWWKTOYTBRBDK-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483377986 1031134904 /nfs/dbraw/zinc/13/49/04/1031134904.db2.gz DQWWKTOYTBRBDK-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO CCOc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000347231278 1031140364 /nfs/dbraw/zinc/14/03/64/1031140364.db2.gz XQXCOEBGEQBFQE-OAHLLOKOSA-N 1 2 342.443 3.539 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000483430924 1031148489 /nfs/dbraw/zinc/14/84/89/1031148489.db2.gz YRBWTOKZZSAGIS-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000483430924 1031148500 /nfs/dbraw/zinc/14/85/00/1031148500.db2.gz YRBWTOKZZSAGIS-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO CC1(C)C[N@H+](Cc2cn(-c3ccccc3)nn2)CC[C@@H]1C(F)(F)F ZINC000483439910 1031172263 /nfs/dbraw/zinc/17/22/63/1031172263.db2.gz LMQNKUVDQLTOMA-HNNXBMFYSA-N 1 2 338.377 3.678 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nn2)CC[C@@H]1C(F)(F)F ZINC000483439910 1031172274 /nfs/dbraw/zinc/17/22/74/1031172274.db2.gz LMQNKUVDQLTOMA-HNNXBMFYSA-N 1 2 338.377 3.678 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000174366895 1031203112 /nfs/dbraw/zinc/20/31/12/1031203112.db2.gz KOROORNKUSUJAZ-DLBZAZTESA-N 1 2 329.469 3.619 20 0 EHADLO O=C(NCc1ccco1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278516666 1031204397 /nfs/dbraw/zinc/20/43/97/1031204397.db2.gz BYZAPIAATARXKW-UHFFFAOYSA-N 1 2 336.395 3.801 20 0 EHADLO CN(c1cc(NCC2CC2)[nH+]cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583956819 1031215869 /nfs/dbraw/zinc/21/58/69/1031215869.db2.gz WYGFHBQXBKRDLR-BETUJISGSA-N 1 2 328.382 3.856 20 0 EHADLO CN(c1cc(NCC2CC2)nc[nH+]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583956819 1031215882 /nfs/dbraw/zinc/21/58/82/1031215882.db2.gz WYGFHBQXBKRDLR-BETUJISGSA-N 1 2 328.382 3.856 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[NH2+][C@H](c3ccccn3)C3CCC3)n2)c1 ZINC000527772400 1031235267 /nfs/dbraw/zinc/23/52/67/1031235267.db2.gz ONQXKIMHAGNFMO-NRFANRHFSA-N 1 2 347.466 3.910 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000483606116 1031239268 /nfs/dbraw/zinc/23/92/68/1031239268.db2.gz KYYVAAQVUJYMMW-CQSZACIVSA-N 1 2 339.501 3.969 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000483606116 1031239278 /nfs/dbraw/zinc/23/92/78/1031239278.db2.gz KYYVAAQVUJYMMW-CQSZACIVSA-N 1 2 339.501 3.969 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H]2CCCc3c(OC)ccc(Cl)c32)[nH]1 ZINC000903131420 1031241008 /nfs/dbraw/zinc/24/10/08/1031241008.db2.gz SCIDNSLZJVMTPI-GWCFXTLKSA-N 1 2 334.851 3.757 20 0 EHADLO O=C(COC/C=C/c1ccccc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000151236713 1031241691 /nfs/dbraw/zinc/24/16/91/1031241691.db2.gz NVTMOEZGYJBBEF-QPJJXVBHSA-N 1 2 333.391 3.745 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(O)c3)n2)cc1F ZINC000483637036 1031261471 /nfs/dbraw/zinc/26/14/71/1031261471.db2.gz KLWMQYWDXPKXGC-LBPRGKRZSA-N 1 2 327.359 3.741 20 0 EHADLO CC(C)(C)[C@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668262819 1031326565 /nfs/dbraw/zinc/32/65/65/1031326565.db2.gz BJXQTDMEBHHSNU-IAGOWNOFSA-N 1 2 325.456 3.969 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930574 1031371152 /nfs/dbraw/zinc/37/11/52/1031371152.db2.gz MHDYVTMYOKABFR-CYBMUJFWSA-N 1 2 340.254 3.770 20 0 EHADLO Cn1ccnc1C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930574 1031371168 /nfs/dbraw/zinc/37/11/68/1031371168.db2.gz MHDYVTMYOKABFR-CYBMUJFWSA-N 1 2 340.254 3.770 20 0 EHADLO Fc1cc(OCC[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1Cl ZINC000483961842 1031403978 /nfs/dbraw/zinc/40/39/78/1031403978.db2.gz LNEWGNLWWOAIJR-HNNXBMFYSA-N 1 2 341.835 3.993 20 0 EHADLO Fc1cc(OCC[N@H+]2CCO[C@H](c3cccs3)C2)ccc1Cl ZINC000483961842 1031403988 /nfs/dbraw/zinc/40/39/88/1031403988.db2.gz LNEWGNLWWOAIJR-HNNXBMFYSA-N 1 2 341.835 3.993 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1F ZINC000484011116 1031424016 /nfs/dbraw/zinc/42/40/16/1031424016.db2.gz ICWPOPJFQPWIES-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1F ZINC000484011116 1031424030 /nfs/dbraw/zinc/42/40/30/1031424030.db2.gz ICWPOPJFQPWIES-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000448659041 1031424515 /nfs/dbraw/zinc/42/45/15/1031424515.db2.gz DOBKWXSIZNXFHB-JTDSTZFVSA-N 1 2 325.456 3.620 20 0 EHADLO Cc1ncc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)o1 ZINC000527915504 1031450329 /nfs/dbraw/zinc/45/03/29/1031450329.db2.gz NYVBWKFHBOTFHE-SSDOTTSWSA-N 1 2 331.160 3.875 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448679124 1031458971 /nfs/dbraw/zinc/45/89/71/1031458971.db2.gz BYQQWFBRPLGZAR-OAHLLOKOSA-N 1 2 339.361 3.526 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1cnccn1 ZINC000527953736 1031487223 /nfs/dbraw/zinc/48/72/23/1031487223.db2.gz YALOIHOSYDZZRV-DTWKUNHWSA-N 1 2 342.187 3.929 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127216339 1031502289 /nfs/dbraw/zinc/50/22/89/1031502289.db2.gz UWFOFYAIJFKVSH-SJLPKXTDSA-N 1 2 348.393 3.658 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127216339 1031502301 /nfs/dbraw/zinc/50/23/01/1031502301.db2.gz UWFOFYAIJFKVSH-SJLPKXTDSA-N 1 2 348.393 3.658 20 0 EHADLO c1ccc(-c2nc(C[NH+]3CCC(OCC4CCCC4)CC3)no2)cc1 ZINC000177494498 1031544474 /nfs/dbraw/zinc/54/44/74/1031544474.db2.gz KRMUAPAGTOYMNY-UHFFFAOYSA-N 1 2 341.455 3.908 20 0 EHADLO CCn1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000177520459 1031550262 /nfs/dbraw/zinc/55/02/62/1031550262.db2.gz VVBUSVZBPDGWKI-KXBFYZLASA-N 1 2 336.439 3.581 20 0 EHADLO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000177317712 1031556374 /nfs/dbraw/zinc/55/63/74/1031556374.db2.gz LZZNJRDDAYXABE-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000347438387 1031579709 /nfs/dbraw/zinc/57/97/09/1031579709.db2.gz WTXUQCDJGZJDDR-DJIMGWMZSA-N 1 2 343.858 3.583 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CC2CCC1CC2 ZINC000584060258 1031605515 /nfs/dbraw/zinc/60/55/15/1031605515.db2.gz UDTLYQZDFVDINT-NHHFINERSA-N 1 2 327.472 3.747 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000528035769 1031615863 /nfs/dbraw/zinc/61/58/63/1031615863.db2.gz KVSHZPLDCQFDHA-JFIYKMOQSA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000347462487 1031647798 /nfs/dbraw/zinc/64/77/98/1031647798.db2.gz GZVJKULFFUHOKR-UKRRQHHQSA-N 1 2 331.847 3.583 20 0 EHADLO C[C@H](CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347458016 1031669286 /nfs/dbraw/zinc/66/92/86/1031669286.db2.gz CJTPUOCDTKJFMF-SJLPKXTDSA-N 1 2 325.456 3.710 20 0 EHADLO c1nnc([C@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc2)[nH]1 ZINC000343624388 1031685654 /nfs/dbraw/zinc/68/56/54/1031685654.db2.gz YSBKQFNGZPOFEC-ZWKOTPCHSA-N 1 2 336.464 3.514 20 0 EHADLO [NH3+][C@H](c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 ZINC000904081609 1031714073 /nfs/dbraw/zinc/71/40/73/1031714073.db2.gz NXMAEWLZQWKBJM-ZDUSSCGKSA-N 1 2 336.233 3.928 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cc(Br)cs2)nc(C)n1 ZINC000659840511 1031727720 /nfs/dbraw/zinc/72/77/20/1031727720.db2.gz DUKOWKCXCZNVOK-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cc(Br)cs2)nc(C)n1 ZINC000659840511 1031727735 /nfs/dbraw/zinc/72/77/35/1031727735.db2.gz DUKOWKCXCZNVOK-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO CC(C)(CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1=CCCCC1 ZINC000475740321 1031737775 /nfs/dbraw/zinc/73/77/75/1031737775.db2.gz RAPQSXJEXROAGL-INIZCTEOSA-N 1 2 344.503 3.624 20 0 EHADLO CC(C)(CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1=CCCCC1 ZINC000475740321 1031737793 /nfs/dbraw/zinc/73/77/93/1031737793.db2.gz RAPQSXJEXROAGL-INIZCTEOSA-N 1 2 344.503 3.624 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000151619752 1031744782 /nfs/dbraw/zinc/74/47/82/1031744782.db2.gz VCFRWZZZGXCIQW-MJGOQNOKSA-N 1 2 343.515 3.893 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000151619824 1031747188 /nfs/dbraw/zinc/74/71/88/1031747188.db2.gz VCFRWZZZGXCIQW-PKOBYXMFSA-N 1 2 343.515 3.893 20 0 EHADLO CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000117579459 1031756355 /nfs/dbraw/zinc/75/63/55/1031756355.db2.gz OHZBYISVDZRLBL-IBGZPJMESA-N 1 2 335.407 3.762 20 0 EHADLO CCCOc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c(OC)c1 ZINC000448856499 1031760396 /nfs/dbraw/zinc/76/03/96/1031760396.db2.gz LUQCFRCRQZFESH-UHFFFAOYSA-N 1 2 339.395 3.692 20 0 EHADLO C[N@H+](Cc1cnc2ccccn12)[C@]1(c2ccccc2)CCCCC1=O ZINC000477662854 1031764186 /nfs/dbraw/zinc/76/41/86/1031764186.db2.gz IACDCEVPCMYSTD-NRFANRHFSA-N 1 2 333.435 3.805 20 0 EHADLO C[N@@H+](Cc1cnc2ccccn12)[C@]1(c2ccccc2)CCCCC1=O ZINC000477662854 1031764201 /nfs/dbraw/zinc/76/42/01/1031764201.db2.gz IACDCEVPCMYSTD-NRFANRHFSA-N 1 2 333.435 3.805 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000158957560 1031773497 /nfs/dbraw/zinc/77/34/97/1031773497.db2.gz HLWDTPOPIKRGAF-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000158957560 1031773511 /nfs/dbraw/zinc/77/35/11/1031773511.db2.gz HLWDTPOPIKRGAF-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO CC1(C)C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C(C)(C)O1 ZINC000528125863 1031773944 /nfs/dbraw/zinc/77/39/44/1031773944.db2.gz OXESORFIQGLEOF-HNNXBMFYSA-N 1 2 338.411 3.983 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000117673012 1031791534 /nfs/dbraw/zinc/79/15/34/1031791534.db2.gz PIDHHEGINCPOTJ-SFHVURJKSA-N 1 2 334.423 3.703 20 0 EHADLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCc2ccccc2C1 ZINC000117671617 1031791811 /nfs/dbraw/zinc/79/18/11/1031791811.db2.gz MTZUXAYDRYFSMG-LJQANCHMSA-N 1 2 331.419 3.502 20 0 EHADLO COc1cc(C[NH2+]Cc2c(F)ccc(O)c2F)ccc1OC(F)F ZINC000551970601 1031796711 /nfs/dbraw/zinc/79/67/11/1031796711.db2.gz JXUJSKGJLQCROQ-UHFFFAOYSA-N 1 2 345.292 3.570 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635500357 1031813171 /nfs/dbraw/zinc/81/31/71/1031813171.db2.gz PCZFLTSDKIKJOZ-RDBSUJKOSA-N 1 2 331.382 3.708 20 0 EHADLO CCC[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1cccc(Cl)c1 ZINC000528159815 1031814306 /nfs/dbraw/zinc/81/43/06/1031814306.db2.gz JKELUDWBTCGIDA-OAHLLOKOSA-N 1 2 330.819 3.979 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2csc(-c3ncccn3)n2)cc1C ZINC000343659554 1031834110 /nfs/dbraw/zinc/83/41/10/1031834110.db2.gz JRKSANAMZJJFQS-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2csc(-c3ncccn3)n2)cc1C ZINC000343659554 1031834121 /nfs/dbraw/zinc/83/41/21/1031834121.db2.gz JRKSANAMZJJFQS-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO CN(Cc1nc2ccccc2s1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117745332 1031844329 /nfs/dbraw/zinc/84/43/29/1031844329.db2.gz BROCNYGHRNUJDH-UHFFFAOYSA-N 1 2 348.431 3.754 20 0 EHADLO C[C@@H](OCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117746811 1031844502 /nfs/dbraw/zinc/84/45/02/1031844502.db2.gz PYCVUCJYNPJGQL-QGZVFWFLSA-N 1 2 349.434 3.770 20 0 EHADLO C[C@H](OCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117746809 1031845116 /nfs/dbraw/zinc/84/51/16/1031845116.db2.gz PYCVUCJYNPJGQL-KRWDZBQOSA-N 1 2 349.434 3.770 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000448909162 1031872142 /nfs/dbraw/zinc/87/21/42/1031872142.db2.gz IJXHZFXCZBHXDN-MOPGFXCFSA-N 1 2 337.467 3.974 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000448912827 1031881524 /nfs/dbraw/zinc/88/15/24/1031881524.db2.gz TYLWOJPVMYYGET-YRNRMSPPSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1c(-c2nc(-c3c[nH+]c(N)cc3C)no2)cnn1C1CCCCC1 ZINC000904269498 1031896937 /nfs/dbraw/zinc/89/69/37/1031896937.db2.gz IHBHMDRINDLGQK-UHFFFAOYSA-N 1 2 338.415 3.699 20 0 EHADLO C[C@H]1C[NH+](CCCOc2cccc(C(C)(C)C)c2)C[C@H](C)S1=O ZINC000484705742 1031901375 /nfs/dbraw/zinc/90/13/75/1031901375.db2.gz USBAEPVLKJAACM-HOTGVXAUSA-N 1 2 337.529 3.594 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)[nH+]c12 ZINC000152877376 1031902024 /nfs/dbraw/zinc/90/20/24/1031902024.db2.gz ZBZDJAGSJHYMAA-NUJGCVRESA-N 1 2 340.471 3.548 20 0 EHADLO C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC=CCC1 ZINC000448930297 1031903637 /nfs/dbraw/zinc/90/36/37/1031903637.db2.gz XGTKEXLTGIOSQB-HXUWFJFHSA-N 1 2 327.472 3.825 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000180890952 1031921808 /nfs/dbraw/zinc/92/18/08/1031921808.db2.gz FHTMJIOAMUIXQM-KBPBESRZSA-N 1 2 338.411 3.690 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2F)C2CCC2)c1 ZINC001168155055 1031922986 /nfs/dbraw/zinc/92/29/86/1031922986.db2.gz OJPDCCNMVVRMAC-UHFFFAOYSA-N 1 2 340.442 3.805 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2F)C2CCC2)c1 ZINC001168155055 1031922998 /nfs/dbraw/zinc/92/29/98/1031922998.db2.gz OJPDCCNMVVRMAC-UHFFFAOYSA-N 1 2 340.442 3.805 20 0 EHADLO Cn1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(C(F)(F)F)n1 ZINC000180987110 1031933743 /nfs/dbraw/zinc/93/37/43/1031933743.db2.gz XWHLFOBJDZDRLG-INIZCTEOSA-N 1 2 346.356 3.713 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347473860 1031973782 /nfs/dbraw/zinc/97/37/82/1031973782.db2.gz VKABURQROXMXKI-HNNXBMFYSA-N 1 2 331.485 3.519 20 0 EHADLO c1nc(C[NH2+]Cc2ccccc2OC2CCCC2)n(-c2ccccc2)n1 ZINC000278682155 1031982392 /nfs/dbraw/zinc/98/23/92/1031982392.db2.gz ICJVROQIHDNFJH-UHFFFAOYSA-N 1 2 348.450 3.879 20 0 EHADLO FC(F)(F)C1=CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343709417 1032023315 /nfs/dbraw/zinc/02/33/15/1032023315.db2.gz KNPGOQLUSOXWIJ-UHFFFAOYSA-N 1 2 333.737 3.806 20 0 EHADLO FC(F)(F)C1=CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343709417 1032023332 /nfs/dbraw/zinc/02/33/32/1032023332.db2.gz KNPGOQLUSOXWIJ-UHFFFAOYSA-N 1 2 333.737 3.806 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000449019391 1032034966 /nfs/dbraw/zinc/03/49/66/1032034966.db2.gz WBTDHZMDQSTDBI-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000449019391 1032034986 /nfs/dbraw/zinc/03/49/86/1032034986.db2.gz WBTDHZMDQSTDBI-HNNXBMFYSA-N 1 2 349.276 3.706 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459403468 1032047807 /nfs/dbraw/zinc/04/78/07/1032047807.db2.gz QQAZHYICEMNZDP-NVXWUHKLSA-N 1 2 342.443 3.518 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2cc(-c3cccs3)on2)cc1 ZINC000181986848 1032051136 /nfs/dbraw/zinc/05/11/36/1032051136.db2.gz DQOFBEDTIZUHKZ-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2cc(-c3cccs3)on2)cc1 ZINC000181986848 1032051155 /nfs/dbraw/zinc/05/11/55/1032051155.db2.gz DQOFBEDTIZUHKZ-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[NH2+]Cc2cn(C)cn2)cc1Cl ZINC000898042811 1033303909 /nfs/dbraw/zinc/30/39/09/1033303909.db2.gz YMOAGBIHKKFLPZ-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+](C)CCC3CCCCC3)c2=S)n1 ZINC000170639070 1033358592 /nfs/dbraw/zinc/35/85/92/1033358592.db2.gz MUKDOCCVNMEVPV-UHFFFAOYSA-N 1 2 333.505 3.737 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+](C)CCC3CCCCC3)c2=S)n1 ZINC000170639070 1033358604 /nfs/dbraw/zinc/35/86/04/1033358604.db2.gz MUKDOCCVNMEVPV-UHFFFAOYSA-N 1 2 333.505 3.737 20 0 EHADLO Cc1[nH+]ccn1CCCN(C)Cc1c(Cl)cccc1OC(F)F ZINC000685462176 1033358529 /nfs/dbraw/zinc/35/85/29/1033358529.db2.gz RKVNVSLZQAPEDK-UHFFFAOYSA-N 1 2 343.805 3.968 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000607850396 1033358788 /nfs/dbraw/zinc/35/87/88/1033358788.db2.gz ORWLUOJSVKNYQW-LJQANCHMSA-N 1 2 335.451 3.665 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2nc3c(s2)CCC3)C1 ZINC000685470944 1033373895 /nfs/dbraw/zinc/37/38/95/1033373895.db2.gz BEYPTCCOFBYMQD-UONOGXRCSA-N 1 2 346.521 3.633 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2nc3c(s2)CCC3)C1 ZINC000685470944 1033373906 /nfs/dbraw/zinc/37/39/06/1033373906.db2.gz BEYPTCCOFBYMQD-UONOGXRCSA-N 1 2 346.521 3.633 20 0 EHADLO Cc1nnc(-c2cccc(NCc3cc(C)[nH+]c4c3CCCC4)c2)n1C ZINC000892395162 1033388443 /nfs/dbraw/zinc/38/84/43/1033388443.db2.gz ATHUKDUKVIZCLL-UHFFFAOYSA-N 1 2 347.466 3.985 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000173631377 1033442607 /nfs/dbraw/zinc/44/26/07/1033442607.db2.gz XEKJKWKZLZPFTK-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000173631377 1033442610 /nfs/dbraw/zinc/44/26/10/1033442610.db2.gz XEKJKWKZLZPFTK-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000594616983 1033467199 /nfs/dbraw/zinc/46/71/99/1033467199.db2.gz ZGCINOREUXEDMQ-QRVBRYPASA-N 1 2 344.499 3.893 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(c2)OCC3(C)C)c[nH+]1 ZINC000529150970 1033488293 /nfs/dbraw/zinc/48/82/93/1033488293.db2.gz WGLYPLFCMAETBO-UHFFFAOYSA-N 1 2 325.412 3.690 20 0 EHADLO C[C@H](CNC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)Cn1cc[nH+]c1 ZINC000449957123 1033491677 /nfs/dbraw/zinc/49/16/77/1033491677.db2.gz BUYKNSLFWDCTHQ-XPKDYRNWSA-N 1 2 349.837 3.622 20 0 EHADLO COc1ccc(CCC(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC000460336161 1033493958 /nfs/dbraw/zinc/49/39/58/1033493958.db2.gz ADSRCMJBTFWZDY-UHFFFAOYSA-N 1 2 329.787 3.568 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000449959553 1033497941 /nfs/dbraw/zinc/49/79/41/1033497941.db2.gz MEDNBAPANMMPNI-OAHLLOKOSA-N 1 2 329.444 3.517 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115631520 1033510945 /nfs/dbraw/zinc/51/09/45/1033510945.db2.gz YNDZSCCFQKMICA-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001168293683 1033542293 /nfs/dbraw/zinc/54/22/93/1033542293.db2.gz QSVUBLQKBBFMLT-QGZVFWFLSA-N 1 2 337.354 3.689 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)sc1C ZINC000608207510 1033544851 /nfs/dbraw/zinc/54/48/51/1033544851.db2.gz VXUPRWXNGYDVKC-MRXNPFEDSA-N 1 2 339.464 3.812 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000608260303 1033554534 /nfs/dbraw/zinc/55/45/34/1033554534.db2.gz UVLCQFVURYZASS-QGZVFWFLSA-N 1 2 338.386 3.665 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cnn(C2CC2)c1 ZINC000529178204 1033557802 /nfs/dbraw/zinc/55/78/02/1033557802.db2.gz DAOUDKVNXWWCHC-UHFFFAOYSA-N 1 2 347.422 3.670 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1oc(C)nc1C)CC2 ZINC000685561015 1033566353 /nfs/dbraw/zinc/56/63/53/1033566353.db2.gz SZRBXYPRRJAUSQ-UHFFFAOYSA-N 1 2 330.428 3.647 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1oc(C)nc1C)CC2 ZINC000685561015 1033566358 /nfs/dbraw/zinc/56/63/58/1033566358.db2.gz SZRBXYPRRJAUSQ-UHFFFAOYSA-N 1 2 330.428 3.647 20 0 EHADLO C[C@@H](CC(=O)Nc1ccccc1N(C)C1CCCC1)n1cc[nH+]c1 ZINC000574814964 1033570532 /nfs/dbraw/zinc/57/05/32/1033570532.db2.gz OKVPGWKKFJJLAQ-HNNXBMFYSA-N 1 2 326.444 3.852 20 0 EHADLO CCC[N@H+](Cc1oc(C)nc1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000685580084 1033585804 /nfs/dbraw/zinc/58/58/04/1033585804.db2.gz GXJRVSLCMQMQDS-HNNXBMFYSA-N 1 2 329.444 3.839 20 0 EHADLO CCC[N@@H+](Cc1oc(C)nc1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000685580084 1033585812 /nfs/dbraw/zinc/58/58/12/1033585812.db2.gz GXJRVSLCMQMQDS-HNNXBMFYSA-N 1 2 329.444 3.839 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001140702387 1033593109 /nfs/dbraw/zinc/59/31/09/1033593109.db2.gz NSFVWMFCDOZQQZ-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@H]1c1ccccc1 ZINC000608313442 1033613902 /nfs/dbraw/zinc/61/39/02/1033613902.db2.gz XZKMALWWEJBNQD-CRAIPNDOSA-N 1 2 334.423 3.992 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000595027482 1033648518 /nfs/dbraw/zinc/64/85/18/1033648518.db2.gz OPECFSHWZBJKPG-IAGOWNOFSA-N 1 2 335.513 3.815 20 0 EHADLO Cc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179741 1033650805 /nfs/dbraw/zinc/65/08/05/1033650805.db2.gz SYGOFZCKQBCMNQ-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO CCC[C@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608390156 1033669304 /nfs/dbraw/zinc/66/93/04/1033669304.db2.gz JOPBIJWVUKGADW-INIZCTEOSA-N 1 2 332.492 3.518 20 0 EHADLO COC(=O)CC1CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000599040853 1033669592 /nfs/dbraw/zinc/66/95/92/1033669592.db2.gz SPCUEBLYWIBTLD-UHFFFAOYSA-N 1 2 331.391 3.545 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608390745 1033671573 /nfs/dbraw/zinc/67/15/73/1033671573.db2.gz GANKUZGRHHRPFX-NXHRZFHOSA-N 1 2 340.471 3.582 20 0 EHADLO C[N@H+](Cc1nnc2ccccn21)C1c2ccccc2-c2ccccc21 ZINC000081009176 1033708616 /nfs/dbraw/zinc/70/86/16/1033708616.db2.gz JIEASGXDGSJHLL-UHFFFAOYSA-N 1 2 326.403 3.931 20 0 EHADLO C[N@@H+](Cc1nnc2ccccn21)C1c2ccccc2-c2ccccc21 ZINC000081009176 1033708630 /nfs/dbraw/zinc/70/86/30/1033708630.db2.gz JIEASGXDGSJHLL-UHFFFAOYSA-N 1 2 326.403 3.931 20 0 EHADLO C[C@@H]([NH2+]C1CCSCC1)c1cc(Br)cc(F)c1O ZINC000185979016 1033764550 /nfs/dbraw/zinc/76/45/50/1033764550.db2.gz CSAVYZYHPKXHKX-MRVPVSSYSA-N 1 2 334.254 3.840 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315978 1033748010 /nfs/dbraw/zinc/74/80/10/1033748010.db2.gz KHAYMABFVWXTJL-FXAWDEMLSA-N 1 2 347.462 3.699 20 0 EHADLO CC[C@H](CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000174201067 1033803481 /nfs/dbraw/zinc/80/34/81/1033803481.db2.gz CBNCCXXIMCZHAJ-QGZVFWFLSA-N 1 2 345.531 3.910 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151195 1033812765 /nfs/dbraw/zinc/81/27/65/1033812765.db2.gz CKHPXLBSKUYKLF-KXBFYZLASA-N 1 2 338.451 3.684 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151195 1033812781 /nfs/dbraw/zinc/81/27/81/1033812781.db2.gz CKHPXLBSKUYKLF-KXBFYZLASA-N 1 2 338.451 3.684 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000046815412 1033856592 /nfs/dbraw/zinc/85/65/92/1033856592.db2.gz GMAATADOWNXMIA-OLZOCXBDSA-N 1 2 342.443 3.953 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000450212540 1033901247 /nfs/dbraw/zinc/90/12/47/1033901247.db2.gz SRUMNTVDGUFXEP-VAMGGRTRSA-N 1 2 349.478 3.751 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(F)ccc3C)cn2c1 ZINC000055254580 1033940972 /nfs/dbraw/zinc/94/09/72/1033940972.db2.gz YLZYIPPZUGIWGA-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1nc2c(s1)CCCC2 ZINC000658103378 1033954728 /nfs/dbraw/zinc/95/47/28/1033954728.db2.gz JEJGGNNJTUBXBM-CQSZACIVSA-N 1 2 342.512 3.868 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174592627 1033991773 /nfs/dbraw/zinc/99/17/73/1033991773.db2.gz XGKMEYXISQXFQV-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174592627 1033991781 /nfs/dbraw/zinc/99/17/81/1033991781.db2.gz XGKMEYXISQXFQV-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO CCCN(CC(=O)N(C)C)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450272066 1033992519 /nfs/dbraw/zinc/99/25/19/1033992519.db2.gz VMXWZTVFHHOYSK-UHFFFAOYSA-N 1 2 339.361 3.558 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1OCC1CC1 ZINC000101654962 1034013731 /nfs/dbraw/zinc/01/37/31/1034013731.db2.gz XUZALZWZRIPVGD-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO CCc1cc(CCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)on1 ZINC000450269683 1034016123 /nfs/dbraw/zinc/01/61/23/1034016123.db2.gz NQSZNUPQSFKJNW-GOSISDBHSA-N 1 2 334.847 3.897 20 0 EHADLO CCc1cc(CCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)on1 ZINC000450269683 1034016128 /nfs/dbraw/zinc/01/61/28/1034016128.db2.gz NQSZNUPQSFKJNW-GOSISDBHSA-N 1 2 334.847 3.897 20 0 EHADLO C[C@H]1C[N@H+](Cc2csc(C3CC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589819 1034027662 /nfs/dbraw/zinc/02/76/62/1034027662.db2.gz OCOHGFQKQNXIJC-SWLSCSKDSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@H]1C[N@@H+](Cc2csc(C3CC3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589819 1034027677 /nfs/dbraw/zinc/02/76/77/1034027677.db2.gz OCOHGFQKQNXIJC-SWLSCSKDSA-N 1 2 336.501 3.820 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1nc2ccsc2s1 ZINC000265370206 1034050409 /nfs/dbraw/zinc/05/04/09/1034050409.db2.gz IHIVTLCPTFRLFG-UHFFFAOYSA-N 1 2 347.469 3.767 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(C2CCC2)CCC1 ZINC000456072899 1034065918 /nfs/dbraw/zinc/06/59/18/1034065918.db2.gz UBMJLWQMOXOWMT-MRXNPFEDSA-N 1 2 341.499 3.896 20 0 EHADLO O=C(c1cc2c(ccc3ccccc23)o1)N1CC[NH+](CCCF)CC1 ZINC000529509201 1034082532 /nfs/dbraw/zinc/08/25/32/1034082532.db2.gz FICZLABSLKYABS-UHFFFAOYSA-N 1 2 340.398 3.703 20 0 EHADLO Brc1cccc2c(N[C@H]3CCO[C@@H]3C3CC3)cc[nH+]c12 ZINC000534062584 1034089735 /nfs/dbraw/zinc/08/97/35/1034089735.db2.gz KPAWKIJSOCGLLR-GOEBONIOSA-N 1 2 333.229 3.977 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000450313832 1034097995 /nfs/dbraw/zinc/09/79/95/1034097995.db2.gz MCNIPEGTXQBYEM-KGLIPLIRSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000450313832 1034098002 /nfs/dbraw/zinc/09/80/02/1034098002.db2.gz MCNIPEGTXQBYEM-KGLIPLIRSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@H+](Cc1ccc(-c2ccccc2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529517290 1034099562 /nfs/dbraw/zinc/09/95/62/1034099562.db2.gz MMNZKVVTMMDGNA-INIZCTEOSA-N 1 2 349.883 3.626 20 0 EHADLO C[N@@H+](Cc1ccc(-c2ccccc2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529517290 1034099575 /nfs/dbraw/zinc/09/95/75/1034099575.db2.gz MMNZKVVTMMDGNA-INIZCTEOSA-N 1 2 349.883 3.626 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000596185970 1034102317 /nfs/dbraw/zinc/10/23/17/1034102317.db2.gz IJONBOZJZVCGBO-OAHLLOKOSA-N 1 2 349.434 3.556 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000599712825 1034120278 /nfs/dbraw/zinc/12/02/78/1034120278.db2.gz XKKGTJLLWRKORT-RYUDHWBXSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000596217021 1034122445 /nfs/dbraw/zinc/12/24/45/1034122445.db2.gz WOODHQWLSGAIIL-SWLSCSKDSA-N 1 2 334.778 3.558 20 0 EHADLO FC1(F)CCC[C@@H]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000923825777 1034124056 /nfs/dbraw/zinc/12/40/56/1034124056.db2.gz FGIDPNZAZPSXNJ-OAHLLOKOSA-N 1 2 344.365 3.959 20 0 EHADLO Cc1ccsc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000119502193 1034174048 /nfs/dbraw/zinc/17/40/48/1034174048.db2.gz GBZPECGMDQGOGW-CQSZACIVSA-N 1 2 349.525 3.706 20 0 EHADLO CCSc1ccc([C@H](C)NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000119540889 1034181045 /nfs/dbraw/zinc/18/10/45/1034181045.db2.gz DMOSRRWZBZLIAM-HNNXBMFYSA-N 1 2 346.500 3.788 20 0 EHADLO CCc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000599856747 1034223434 /nfs/dbraw/zinc/22/34/34/1034223434.db2.gz SHAFYYXLRNIQDM-OAHLLOKOSA-N 1 2 328.481 3.657 20 0 EHADLO CCc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000599856747 1034223447 /nfs/dbraw/zinc/22/34/47/1034223447.db2.gz SHAFYYXLRNIQDM-OAHLLOKOSA-N 1 2 328.481 3.657 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529585422 1034243446 /nfs/dbraw/zinc/24/34/46/1034243446.db2.gz OUCJWMHRBPBYNR-UHFFFAOYSA-N 1 2 328.334 3.896 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529585422 1034243461 /nfs/dbraw/zinc/24/34/61/1034243461.db2.gz OUCJWMHRBPBYNR-UHFFFAOYSA-N 1 2 328.334 3.896 20 0 EHADLO C[N@H+](Cc1ccsc1Br)[C@@H](CO)c1ccccc1 ZINC000529588574 1034248850 /nfs/dbraw/zinc/24/88/50/1034248850.db2.gz GOMRPRMZTXVBGQ-ZDUSSCGKSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@@H+](Cc1ccsc1Br)[C@@H](CO)c1ccccc1 ZINC000529588574 1034248863 /nfs/dbraw/zinc/24/88/63/1034248863.db2.gz GOMRPRMZTXVBGQ-ZDUSSCGKSA-N 1 2 326.259 3.676 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2C1 ZINC000120947367 1034271464 /nfs/dbraw/zinc/27/14/64/1034271464.db2.gz YRIFYYDCGDRMHD-XJKSGUPXSA-N 1 2 342.464 3.561 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861945 1034287351 /nfs/dbraw/zinc/28/73/51/1034287351.db2.gz XZMPXMUUGSGNQV-IAGOWNOFSA-N 1 2 329.831 3.504 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000604235630 1034288384 /nfs/dbraw/zinc/28/83/84/1034288384.db2.gz HGHQHFUMOPCUJN-UHFFFAOYSA-N 1 2 333.391 3.556 20 0 EHADLO Cc1ccc2sc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000685707950 1034292099 /nfs/dbraw/zinc/29/20/99/1034292099.db2.gz UJWKQWVFQIMMHT-HNNXBMFYSA-N 1 2 325.437 3.884 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000685711294 1034336149 /nfs/dbraw/zinc/33/61/49/1034336149.db2.gz VGJPXNFFWINIAS-HXUWFJFHSA-N 1 2 348.450 3.527 20 0 EHADLO CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450460131 1034342326 /nfs/dbraw/zinc/34/23/26/1034342326.db2.gz MPLHAUKLTHNNBU-LLVKDONJSA-N 1 2 349.837 3.768 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000302812857 1034367350 /nfs/dbraw/zinc/36/73/50/1034367350.db2.gz OBHWDSQGJUKOQA-AAEUAGOBSA-N 1 2 335.860 3.961 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H]1c1cccs1 ZINC000302812857 1034367363 /nfs/dbraw/zinc/36/73/63/1034367363.db2.gz OBHWDSQGJUKOQA-AAEUAGOBSA-N 1 2 335.860 3.961 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccncc1 ZINC000121071651 1034370701 /nfs/dbraw/zinc/37/07/01/1034370701.db2.gz ODGQBSIVVVQRTD-CYBMUJFWSA-N 1 2 332.473 3.601 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000121071651 1034370710 /nfs/dbraw/zinc/37/07/10/1034370710.db2.gz ODGQBSIVVVQRTD-CYBMUJFWSA-N 1 2 332.473 3.601 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c(C)c[nH+]1 ZINC000534324469 1034399682 /nfs/dbraw/zinc/39/96/82/1034399682.db2.gz ZDZSARJJXCAENJ-IBGZPJMESA-N 1 2 343.446 3.990 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000604581629 1034429383 /nfs/dbraw/zinc/42/93/83/1034429383.db2.gz XQCJYJNLAGDIJJ-IAGOWNOFSA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604651383 1034443291 /nfs/dbraw/zinc/44/32/91/1034443291.db2.gz VBMOIOXOMDATSG-MOPGFXCFSA-N 1 2 340.471 3.886 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000604669629 1034450069 /nfs/dbraw/zinc/45/00/69/1034450069.db2.gz SURYMZDMLSAQRS-IAGOWNOFSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)c(C)[nH+]1 ZINC000596912356 1034451835 /nfs/dbraw/zinc/45/18/35/1034451835.db2.gz FRELAVGHSITTBN-UHFFFAOYSA-N 1 2 347.459 3.640 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(F)c(F)cc1F ZINC000171555924 1034469075 /nfs/dbraw/zinc/46/90/75/1034469075.db2.gz FAXOUGOARIEXAS-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO CCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381998 1034478396 /nfs/dbraw/zinc/47/83/96/1034478396.db2.gz LWMPSCUNWCNECI-LSDHHAIUSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381998 1034478410 /nfs/dbraw/zinc/47/84/10/1034478410.db2.gz LWMPSCUNWCNECI-LSDHHAIUSA-N 1 2 341.858 3.712 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC(C)C ZINC000121183276 1034491912 /nfs/dbraw/zinc/49/19/12/1034491912.db2.gz PKCQXRDYGBCTCL-INIZCTEOSA-N 1 2 329.444 3.585 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC(C)C ZINC000121183276 1034491918 /nfs/dbraw/zinc/49/19/18/1034491918.db2.gz PKCQXRDYGBCTCL-INIZCTEOSA-N 1 2 329.444 3.585 20 0 EHADLO CCc1nc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000604767494 1034505136 /nfs/dbraw/zinc/50/51/36/1034505136.db2.gz MOBBEDXVXDHDPM-OAHLLOKOSA-N 1 2 344.402 3.722 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccn(CC(F)(F)F)n1)CCC2 ZINC000450559545 1034522653 /nfs/dbraw/zinc/52/26/53/1034522653.db2.gz KFAZARYBBKAGMM-CYBMUJFWSA-N 1 2 344.406 3.720 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccn(CC(F)(F)F)n1)CCC2 ZINC000450559545 1034522665 /nfs/dbraw/zinc/52/26/65/1034522665.db2.gz KFAZARYBBKAGMM-CYBMUJFWSA-N 1 2 344.406 3.720 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000604847527 1034524066 /nfs/dbraw/zinc/52/40/66/1034524066.db2.gz HTOURVCDFDCLDR-FUHWJXTLSA-N 1 2 330.472 3.674 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000450623464 1034575205 /nfs/dbraw/zinc/57/52/05/1034575205.db2.gz QELIOGNKPQAHMV-OAUYIBNBSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000450623464 1034575216 /nfs/dbraw/zinc/57/52/16/1034575216.db2.gz QELIOGNKPQAHMV-OAUYIBNBSA-N 1 2 344.282 3.804 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(C)c3O)cn2c1 ZINC000179769507 1034599801 /nfs/dbraw/zinc/59/98/01/1034599801.db2.gz UCZLLNUGZGSNFT-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529827201 1034607456 /nfs/dbraw/zinc/60/74/56/1034607456.db2.gz VAMJAYKMZQVCCC-LJQANCHMSA-N 1 2 332.407 3.539 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000413612395 1034615950 /nfs/dbraw/zinc/61/59/50/1034615950.db2.gz DTUPXTKSPQSBMV-MSOLQXFVSA-N 1 2 346.519 3.693 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082253 1034620931 /nfs/dbraw/zinc/62/09/31/1034620931.db2.gz WQVNCHCTVVSXCP-UHFFFAOYSA-N 1 2 349.434 3.727 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1OC(F)F ZINC000450662374 1034657020 /nfs/dbraw/zinc/65/70/20/1034657020.db2.gz ILQHSVGGIWSKBR-OAHLLOKOSA-N 1 2 336.386 3.530 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534547567 1034661808 /nfs/dbraw/zinc/66/18/08/1034661808.db2.gz IKXNOICAPWIRMB-ZDUSSCGKSA-N 1 2 338.373 3.549 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534547567 1034661816 /nfs/dbraw/zinc/66/18/16/1034661816.db2.gz IKXNOICAPWIRMB-ZDUSSCGKSA-N 1 2 338.373 3.549 20 0 EHADLO O[C@@H](C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1)C(F)(F)F ZINC000584466400 1034668391 /nfs/dbraw/zinc/66/83/91/1034668391.db2.gz SFSJYKMLYOGDIT-AWEZNQCLSA-N 1 2 328.309 3.514 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1c(C)noc1C ZINC000534568627 1034681603 /nfs/dbraw/zinc/68/16/03/1034681603.db2.gz VBHPZBDGJRFFOL-CQSZACIVSA-N 1 2 327.388 3.520 20 0 EHADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000375847168 1034707878 /nfs/dbraw/zinc/70/78/78/1034707878.db2.gz ALVOCBFOQBJXLI-YESZJQIVSA-N 1 2 343.471 3.808 20 0 EHADLO Cc1c(Br)scc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456844676 1034762970 /nfs/dbraw/zinc/76/29/70/1034762970.db2.gz ROHJIZNXPNXHPD-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(NC[C@@](O)(c2ccccc2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000172015439 1034774447 /nfs/dbraw/zinc/77/44/47/1034774447.db2.gz LJHUDLKBWSIKRH-MRXNPFEDSA-N 1 2 337.345 3.524 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)c[nH+]1 ZINC000456835656 1034780689 /nfs/dbraw/zinc/78/06/89/1034780689.db2.gz JFJQZVXXKXXZIS-HOTGVXAUSA-N 1 2 346.377 3.720 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c[nH+]1 ZINC000456866157 1034799513 /nfs/dbraw/zinc/79/95/13/1034799513.db2.gz UIFVAWLYUQWMRK-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccn(C)c2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000612345495 1034810924 /nfs/dbraw/zinc/81/09/24/1034810924.db2.gz GHISPMHNGPKLDZ-APWZRJJASA-N 1 2 348.450 3.612 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000597551444 1034812038 /nfs/dbraw/zinc/81/20/38/1034812038.db2.gz KGNLRJPNVDHXNV-UHFFFAOYSA-N 1 2 328.803 3.746 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCOc2ccccc2Cl)c[nH+]1 ZINC000456857252 1034813149 /nfs/dbraw/zinc/81/31/49/1034813149.db2.gz KBCLJFAZJOCUKJ-UHFFFAOYSA-N 1 2 332.831 3.827 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000450814723 1034823865 /nfs/dbraw/zinc/82/38/65/1034823865.db2.gz ZLYXZJVEPYQGNL-IBGZPJMESA-N 1 2 335.455 3.846 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000450814723 1034823877 /nfs/dbraw/zinc/82/38/77/1034823877.db2.gz ZLYXZJVEPYQGNL-IBGZPJMESA-N 1 2 335.455 3.846 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000450892199 1034919818 /nfs/dbraw/zinc/91/98/18/1034919818.db2.gz NAMKKVMKLNQXHP-GFCCVEGCSA-N 1 2 327.457 3.594 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472430747 1034937328 /nfs/dbraw/zinc/93/73/28/1034937328.db2.gz ZQXURGUWOZUHDQ-STQMWFEESA-N 1 2 348.796 3.632 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472430747 1034937333 /nfs/dbraw/zinc/93/73/33/1034937333.db2.gz ZQXURGUWOZUHDQ-STQMWFEESA-N 1 2 348.796 3.632 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000303414669 1034964653 /nfs/dbraw/zinc/96/46/53/1034964653.db2.gz VWGQKRWRVMJMHR-KRWDZBQOSA-N 1 2 333.435 3.850 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000375945649 1034986008 /nfs/dbraw/zinc/98/60/08/1034986008.db2.gz GBGIUKFTNCDGOM-MRXNPFEDSA-N 1 2 341.455 3.617 20 0 EHADLO COC1CC[NH+](Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000054358416 1035044520 /nfs/dbraw/zinc/04/45/20/1035044520.db2.gz KYEMIFUYDYLADV-UHFFFAOYSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1C ZINC000612860425 1035270998 /nfs/dbraw/zinc/27/09/98/1035270998.db2.gz KCIMYSKXCQBNML-UHFFFAOYSA-N 1 2 343.496 3.927 20 0 EHADLO O=C(c1cc2cc(Cl)sc2[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000644016258 1035284982 /nfs/dbraw/zinc/28/49/82/1035284982.db2.gz GRVCTSJSGIZVMX-UHFFFAOYSA-N 1 2 334.832 3.626 20 0 EHADLO O=C(c1cc2cc(Cl)sc2[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000644016258 1035284986 /nfs/dbraw/zinc/28/49/86/1035284986.db2.gz GRVCTSJSGIZVMX-UHFFFAOYSA-N 1 2 334.832 3.626 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511394723 1035295034 /nfs/dbraw/zinc/29/50/34/1035295034.db2.gz AJBLQUQFJITBJH-MSOLQXFVSA-N 1 2 344.503 3.661 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161697866 1035402709 /nfs/dbraw/zinc/40/27/09/1035402709.db2.gz ZKTNVDZPIIXFJZ-DLBZAZTESA-N 1 2 331.504 3.947 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(Cl)c1OC ZINC000685849606 1035412538 /nfs/dbraw/zinc/41/25/38/1035412538.db2.gz QMVILYCTPBJVQB-YOEHRIQHSA-N 1 2 339.863 3.747 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(Cl)c1OC ZINC000685849606 1035412539 /nfs/dbraw/zinc/41/25/39/1035412539.db2.gz QMVILYCTPBJVQB-YOEHRIQHSA-N 1 2 339.863 3.747 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(Cl)c1OC ZINC000685849604 1035412654 /nfs/dbraw/zinc/41/26/54/1035412654.db2.gz QMVILYCTPBJVQB-RHSMWYFYSA-N 1 2 339.863 3.747 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(Cl)c1OC ZINC000685849604 1035412658 /nfs/dbraw/zinc/41/26/58/1035412658.db2.gz QMVILYCTPBJVQB-RHSMWYFYSA-N 1 2 339.863 3.747 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511443049 1035436805 /nfs/dbraw/zinc/43/68/05/1035436805.db2.gz ZGULEBMLZAWESB-BBWFWOEESA-N 1 2 344.503 3.564 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cc2n(n1)CCC2 ZINC000414087725 1035466760 /nfs/dbraw/zinc/46/67/60/1035466760.db2.gz BKOKEVIATVDCMZ-SNVBAGLBSA-N 1 2 341.789 3.935 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571449019 1035497505 /nfs/dbraw/zinc/49/75/05/1035497505.db2.gz HPDBNCYVFIOKBJ-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO COc1ccc([C@H](C)[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000571447593 1035498108 /nfs/dbraw/zinc/49/81/08/1035498108.db2.gz FPBNGNHDXSEHMO-HZPDHXFCSA-N 1 2 336.439 3.939 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CCCC[C@@H]1C ZINC000511475011 1035509863 /nfs/dbraw/zinc/50/98/63/1035509863.db2.gz SISZJZBUXMKYRV-MLHJIOFPSA-N 1 2 329.488 3.581 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000429773461 1035513444 /nfs/dbraw/zinc/51/34/44/1035513444.db2.gz KWPHJSATKQWVOK-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000429773461 1035513450 /nfs/dbraw/zinc/51/34/50/1035513450.db2.gz KWPHJSATKQWVOK-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO Cc1cc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)ccc2n(C)c1=O ZINC000492277054 1035550955 /nfs/dbraw/zinc/55/09/55/1035550955.db2.gz RTQPNCSXMPXGBI-UHFFFAOYSA-N 1 2 344.418 3.645 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414111604 1035551966 /nfs/dbraw/zinc/55/19/66/1035551966.db2.gz MPAFUXRKFMLLCL-MRXNPFEDSA-N 1 2 349.482 3.989 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1coc(-c2ccccc2)n1 ZINC000463491704 1035557879 /nfs/dbraw/zinc/55/78/79/1035557879.db2.gz AJEYOZIYGGEXBO-UHFFFAOYSA-N 1 2 338.798 3.916 20 0 EHADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000571636898 1035577921 /nfs/dbraw/zinc/57/79/21/1035577921.db2.gz UXFLMEQZAZWMOA-AWEZNQCLSA-N 1 2 343.446 3.753 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000186174573 1035595208 /nfs/dbraw/zinc/59/52/08/1035595208.db2.gz YOOFADAGXKAXJW-CYBMUJFWSA-N 1 2 341.411 3.536 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000186174573 1035595217 /nfs/dbraw/zinc/59/52/17/1035595217.db2.gz YOOFADAGXKAXJW-CYBMUJFWSA-N 1 2 341.411 3.536 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cccnc1 ZINC000463521050 1035600639 /nfs/dbraw/zinc/60/06/39/1035600639.db2.gz SWDUSWWXXDZKDD-UHFFFAOYSA-N 1 2 328.419 3.822 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(O)cc(F)c1 ZINC000186242747 1035608746 /nfs/dbraw/zinc/60/87/46/1035608746.db2.gz KXOJDYSMZVESMU-UHFFFAOYSA-N 1 2 330.403 3.609 20 0 EHADLO Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2[nH+]c1C(C)(C)C ZINC000534794569 1035608691 /nfs/dbraw/zinc/60/86/91/1035608691.db2.gz FDCFJCWNGCLCKP-UHFFFAOYSA-N 1 2 343.452 3.672 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(O)cc(F)c1 ZINC000186242747 1035608759 /nfs/dbraw/zinc/60/87/59/1035608759.db2.gz KXOJDYSMZVESMU-UHFFFAOYSA-N 1 2 330.403 3.609 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457043141 1035650691 /nfs/dbraw/zinc/65/06/91/1035650691.db2.gz HAFCCWIHUZPNGO-ZBFHGGJFSA-N 1 2 325.456 3.824 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457043141 1035650706 /nfs/dbraw/zinc/65/07/06/1035650706.db2.gz HAFCCWIHUZPNGO-ZBFHGGJFSA-N 1 2 325.456 3.824 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)C2 ZINC000457086663 1035701803 /nfs/dbraw/zinc/70/18/03/1035701803.db2.gz PWBFGVBDKIUANJ-CABCVRRESA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)CC2 ZINC000457086663 1035701818 /nfs/dbraw/zinc/70/18/18/1035701818.db2.gz PWBFGVBDKIUANJ-CABCVRRESA-N 1 2 331.504 3.923 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)[C@@H](c2ccco2)C1 ZINC000173955479 1035727135 /nfs/dbraw/zinc/72/71/35/1035727135.db2.gz CQRLDOWIEQBUOY-JKSUJKDBSA-N 1 2 342.443 3.659 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187180629 1035780999 /nfs/dbraw/zinc/78/09/99/1035780999.db2.gz PFLQCFAWAFLKLN-HXUWFJFHSA-N 1 2 329.252 3.849 20 0 EHADLO Cc1cc(C)c(NC(=O)C[S@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187219198 1035791041 /nfs/dbraw/zinc/79/10/41/1035791041.db2.gz UPNKSLSQGVRDKN-XMMPIXPASA-N 1 2 344.480 3.511 20 0 EHADLO Cc1ccc(C[S@](=O)CC(=O)Nc2ccc(C(C)C)cc2)c(C)[nH+]1 ZINC000187229387 1035798165 /nfs/dbraw/zinc/79/81/65/1035798165.db2.gz MDLFZKQRBWLHGX-DEOSSOPVSA-N 1 2 344.480 3.709 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187238650 1035799712 /nfs/dbraw/zinc/79/97/12/1035799712.db2.gz WVZIGHXSPQWPKF-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000187433575 1035821206 /nfs/dbraw/zinc/82/12/06/1035821206.db2.gz KCCKYVNJDSICKZ-SJORKVTESA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000187433607 1035821599 /nfs/dbraw/zinc/82/15/99/1035821599.db2.gz KCCKYVNJDSICKZ-IAGOWNOFSA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)c1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC000571936924 1035841298 /nfs/dbraw/zinc/84/12/98/1035841298.db2.gz LUJSIJMMXRBCMX-UHFFFAOYSA-N 1 2 345.468 3.606 20 0 EHADLO Cc1[nH]ncc1C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000187990295 1035897541 /nfs/dbraw/zinc/89/75/41/1035897541.db2.gz SEHUNCJTOSBXCZ-UHFFFAOYSA-N 1 2 334.261 3.893 20 0 EHADLO Cc1[nH]ncc1C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000187990295 1035897562 /nfs/dbraw/zinc/89/75/62/1035897562.db2.gz SEHUNCJTOSBXCZ-UHFFFAOYSA-N 1 2 334.261 3.893 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cccn2)c2ncc[nH]2)cc1 ZINC000188269997 1035923258 /nfs/dbraw/zinc/92/32/58/1035923258.db2.gz OGPODPOBQAFDIJ-LJQANCHMSA-N 1 2 347.397 3.614 20 0 EHADLO Cc1cc(NC(=O)N2CCC(OCC3CCCCC3)CC2)c(C)c[nH+]1 ZINC000535060505 1035943899 /nfs/dbraw/zinc/94/38/99/1035943899.db2.gz AGWFSAZZUDLTDC-UHFFFAOYSA-N 1 2 345.487 3.714 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(OC[C@H]2CCOC2)c1 ZINC000535064762 1035948234 /nfs/dbraw/zinc/94/82/34/1035948234.db2.gz BRZJFZZCDOIFNH-GJZGRUSLSA-N 1 2 332.469 3.718 20 0 EHADLO Cc1ccccc1[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)CO1 ZINC000541090152 1035975695 /nfs/dbraw/zinc/97/56/95/1035975695.db2.gz MCRFMZMRIHDFKA-QRWLVFNGSA-N 1 2 337.467 3.939 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC000645688492 1035985416 /nfs/dbraw/zinc/98/54/16/1035985416.db2.gz VKINMTWDTBSNBA-SFHVURJKSA-N 1 2 332.492 3.664 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2)c1 ZINC000189051352 1036009250 /nfs/dbraw/zinc/00/92/50/1036009250.db2.gz YPWMFGIPLRHZLF-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO CCC(C)(C)OCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613479503 1036012938 /nfs/dbraw/zinc/01/29/38/1036012938.db2.gz MDOSVGAKKLWABK-HZPDHXFCSA-N 1 2 341.455 3.868 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000913948766 1036017764 /nfs/dbraw/zinc/01/77/64/1036017764.db2.gz SEVMOHJSUBOBPL-HNNXBMFYSA-N 1 2 338.455 3.829 20 0 EHADLO O=C(C=Cc1ccc2ccccc2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492568912 1036018590 /nfs/dbraw/zinc/01/85/90/1036018590.db2.gz UCERMDIDCIAFLV-VURMDHGXSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(C=Cc1ccc2ccccc2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492568912 1036018611 /nfs/dbraw/zinc/01/86/11/1036018611.db2.gz UCERMDIDCIAFLV-VURMDHGXSA-N 1 2 331.419 3.982 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000613483277 1036028576 /nfs/dbraw/zinc/02/85/76/1036028576.db2.gz RHDKAGNZTZABHA-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000613483277 1036028597 /nfs/dbraw/zinc/02/85/97/1036028597.db2.gz RHDKAGNZTZABHA-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO CCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535115223 1036041469 /nfs/dbraw/zinc/04/14/69/1036041469.db2.gz FHBXOLOHUSINPX-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535115223 1036041491 /nfs/dbraw/zinc/04/14/91/1036041491.db2.gz FHBXOLOHUSINPX-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1ccc(C2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)cn1 ZINC000541201736 1036073466 /nfs/dbraw/zinc/07/34/66/1036073466.db2.gz KHJNZKCSTZWYQH-UHFFFAOYSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140795734 1036102725 /nfs/dbraw/zinc/10/27/25/1036102725.db2.gz LVWCFYOWLFPKTE-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001140795734 1036102737 /nfs/dbraw/zinc/10/27/37/1036102737.db2.gz LVWCFYOWLFPKTE-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2nc3ccccc3[nH]2)cc1OC ZINC000170692801 1036106073 /nfs/dbraw/zinc/10/60/73/1036106073.db2.gz UHUXOEGVNJNDNW-UHFFFAOYSA-N 1 2 325.412 3.521 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2nc3ccccc3[nH]2)cc1OC ZINC000170692801 1036106079 /nfs/dbraw/zinc/10/60/79/1036106079.db2.gz UHUXOEGVNJNDNW-UHFFFAOYSA-N 1 2 325.412 3.521 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535155101 1036115739 /nfs/dbraw/zinc/11/57/39/1036115739.db2.gz BBCNRCVEFJDOCZ-XZJROXQQSA-N 1 2 326.843 3.777 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535155101 1036115744 /nfs/dbraw/zinc/11/57/44/1036115744.db2.gz BBCNRCVEFJDOCZ-XZJROXQQSA-N 1 2 326.843 3.777 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC(C)C ZINC000174909790 1036163505 /nfs/dbraw/zinc/16/35/05/1036163505.db2.gz HOEQVFIDHHNRLM-UHFFFAOYSA-N 1 2 346.519 3.766 20 0 EHADLO c1cc2c(nc[nH+]c2Nc2ccc(N3CCc4sccc4C3)nc2)[nH]1 ZINC000588896563 1036171290 /nfs/dbraw/zinc/17/12/90/1036171290.db2.gz LBAJGTBUQMMMOT-UHFFFAOYSA-N 1 2 348.435 3.721 20 0 EHADLO CCC(CC)[C@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000761479058 1036192473 /nfs/dbraw/zinc/19/24/73/1036192473.db2.gz YWHDKMPDAYVFBE-INIZCTEOSA-N 1 2 345.531 3.910 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000190399670 1036248527 /nfs/dbraw/zinc/24/85/27/1036248527.db2.gz ZHSPLWMJOXBESB-UHFFFAOYSA-N 1 2 345.455 3.534 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000190399670 1036248546 /nfs/dbraw/zinc/24/85/46/1036248546.db2.gz ZHSPLWMJOXBESB-UHFFFAOYSA-N 1 2 345.455 3.534 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(-c3ncn(C)n3)cc2)n1-c1ccccc1 ZINC000190878938 1036285056 /nfs/dbraw/zinc/28/50/56/1036285056.db2.gz QGDSITGIKBEFFC-UHFFFAOYSA-N 1 2 344.422 3.588 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@H]3CC=CCC3)cn2c1 ZINC000541496249 1036370004 /nfs/dbraw/zinc/37/00/04/1036370004.db2.gz JXUCBZVHIVFCNI-INIZCTEOSA-N 1 2 343.496 3.691 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(F)cc1Cl ZINC000464358444 1036370053 /nfs/dbraw/zinc/37/00/53/1036370053.db2.gz VRHZZGRBUKESAV-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000043865548 1036371372 /nfs/dbraw/zinc/37/13/72/1036371372.db2.gz NSGWOJHXBGVNDZ-CQSZACIVSA-N 1 2 338.411 3.690 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cnn1C(C)C ZINC000191380619 1036374338 /nfs/dbraw/zinc/37/43/38/1036374338.db2.gz DEKYMOCWBMDPAG-HUUCEWRRSA-N 1 2 338.459 3.765 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)CCc3ccccc3)[nH+]c12 ZINC000589416404 1036383350 /nfs/dbraw/zinc/38/33/50/1036383350.db2.gz INIGWSWHSVHOHW-UHFFFAOYSA-N 1 2 335.451 3.713 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457695457 1036406617 /nfs/dbraw/zinc/40/66/17/1036406617.db2.gz SQTIXJOTLZDFPS-QSGSBWRWSA-N 1 2 346.368 3.508 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457695457 1036406624 /nfs/dbraw/zinc/40/66/24/1036406624.db2.gz SQTIXJOTLZDFPS-QSGSBWRWSA-N 1 2 346.368 3.508 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)o1 ZINC000191575283 1036415499 /nfs/dbraw/zinc/41/54/99/1036415499.db2.gz JIOBFHJPLAAZIW-LLVKDONJSA-N 1 2 329.404 3.509 20 0 EHADLO O=C(CCc1cccc(C(F)(F)F)c1)Nc1cccc2[nH+]ccn21 ZINC000464408933 1036416632 /nfs/dbraw/zinc/41/66/32/1036416632.db2.gz WIVHVHCPVWQPIF-UHFFFAOYSA-N 1 2 333.313 3.924 20 0 EHADLO C[C@H]1CCCC[C@]1(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457760754 1036463274 /nfs/dbraw/zinc/46/32/74/1036463274.db2.gz ADBNUIVTRCTAHJ-JXFKEZNVSA-N 1 2 340.471 3.699 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000492979068 1036468162 /nfs/dbraw/zinc/46/81/62/1036468162.db2.gz DWCVTMWUDCOOLF-OMVNSRBRSA-N 1 2 349.356 3.686 20 0 EHADLO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1cocn1 ZINC000192339307 1036499812 /nfs/dbraw/zinc/49/98/12/1036499812.db2.gz SDPUDDKCXXVBTO-UHFFFAOYSA-N 1 2 335.123 3.746 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3cc(Cl)ccc3C2)c1C ZINC000192242293 1036506267 /nfs/dbraw/zinc/50/62/67/1036506267.db2.gz OPJRJEMQZDYNSB-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3cc(Cl)ccc3C2)c1C ZINC000192242293 1036506277 /nfs/dbraw/zinc/50/62/77/1036506277.db2.gz OPJRJEMQZDYNSB-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000669334230 1036516043 /nfs/dbraw/zinc/51/60/43/1036516043.db2.gz AEZYMPAFEUNVAY-ZWKOTPCHSA-N 1 2 337.467 3.791 20 0 EHADLO O=C(/C=C\C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000493015063 1036525903 /nfs/dbraw/zinc/52/59/03/1036525903.db2.gz JDCLHGALOCJQMU-SREVYHEPSA-N 1 2 329.831 3.532 20 0 EHADLO CC(C)OCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464571127 1036559058 /nfs/dbraw/zinc/55/90/58/1036559058.db2.gz CNEVUDCPIHDEBL-UHFFFAOYSA-N 1 2 332.669 3.886 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3cncc(Br)c3)CC2)cc1 ZINC000192841639 1036557992 /nfs/dbraw/zinc/55/79/92/1036557992.db2.gz YWVRSKZFAJIZAU-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3cncc(Br)c3)CC2)cc1 ZINC000192841639 1036558001 /nfs/dbraw/zinc/55/80/01/1036558001.db2.gz YWVRSKZFAJIZAU-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO CC(C)OCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464571127 1036559047 /nfs/dbraw/zinc/55/90/47/1036559047.db2.gz CNEVUDCPIHDEBL-UHFFFAOYSA-N 1 2 332.669 3.886 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1C ZINC000669337584 1036574199 /nfs/dbraw/zinc/57/41/99/1036574199.db2.gz NHRALXAUFOWUJB-GUDVDZBRSA-N 1 2 337.467 3.894 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NCCc3cn(C)c[nH+]3)CCCC2)cc1 ZINC000457863156 1036586030 /nfs/dbraw/zinc/58/60/30/1036586030.db2.gz SCPDXBLXUIBSKJ-UHFFFAOYSA-N 1 2 339.483 3.714 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175821399 1036586518 /nfs/dbraw/zinc/58/65/18/1036586518.db2.gz DOBWWHKAOIKIRE-RXVVDRJESA-N 1 2 329.403 3.919 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000193139853 1036588943 /nfs/dbraw/zinc/58/89/43/1036588943.db2.gz RHLVAADSLFSRCQ-UHFFFAOYSA-N 1 2 342.826 3.965 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414325028 1036689675 /nfs/dbraw/zinc/68/96/75/1036689675.db2.gz LKOCBIGRKXFJHN-CQSZACIVSA-N 1 2 327.453 3.952 20 0 EHADLO CC(C)(C)c1ccc2cc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000590007892 1036697194 /nfs/dbraw/zinc/69/71/94/1036697194.db2.gz WVAVCWMLKDPLPD-UHFFFAOYSA-N 1 2 349.434 3.764 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885278 1036718805 /nfs/dbraw/zinc/71/88/05/1036718805.db2.gz HJYVZLZIOHUBNC-SFHVURJKSA-N 1 2 340.471 3.546 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000007790893 1036762931 /nfs/dbraw/zinc/76/29/31/1036762931.db2.gz GCMCXDFULQVVDX-OAHLLOKOSA-N 1 2 338.451 3.911 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000007790893 1036762953 /nfs/dbraw/zinc/76/29/53/1036762953.db2.gz GCMCXDFULQVVDX-OAHLLOKOSA-N 1 2 338.451 3.911 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc2c(ccc3ccccc23)o1 ZINC000539499760 1036816749 /nfs/dbraw/zinc/81/67/49/1036816749.db2.gz PAKUVBVWORGWLF-ZDUSSCGKSA-N 1 2 332.407 3.975 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)[nH]1 ZINC000541925515 1036826114 /nfs/dbraw/zinc/82/61/14/1036826114.db2.gz MTEXJPAVXKYOHI-UHFFFAOYSA-N 1 2 328.387 3.620 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429608 1036858750 /nfs/dbraw/zinc/85/87/50/1036858750.db2.gz JRDZXCLSYSKDKH-UHFFFAOYSA-N 1 2 325.243 3.675 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3)n2)c2ccccc2C1 ZINC000103411610 1036907345 /nfs/dbraw/zinc/90/73/45/1036907345.db2.gz AZUBFGUDOKSERP-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO C[N@H+]1CCN(C(=O)c2csc(-c3ccccc3)n2)c2ccccc2C1 ZINC000103411610 1036907359 /nfs/dbraw/zinc/90/73/59/1036907359.db2.gz AZUBFGUDOKSERP-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000177793314 1036935514 /nfs/dbraw/zinc/93/55/14/1036935514.db2.gz YUGLCMLWQRRUKZ-LJQANCHMSA-N 1 2 348.450 3.998 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](CO)c1ccccc1C ZINC000541981359 1036940926 /nfs/dbraw/zinc/94/09/26/1036940926.db2.gz UXCGHJRZPDSINZ-MRXNPFEDSA-N 1 2 328.437 3.843 20 0 EHADLO CNC(=O)c1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000177847917 1036950850 /nfs/dbraw/zinc/95/08/50/1036950850.db2.gz SPMQTGYYHANUCS-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO Fc1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)cc1 ZINC000539600957 1036981538 /nfs/dbraw/zinc/98/15/38/1036981538.db2.gz SYWSCYRMKNONBG-LJQANCHMSA-N 1 2 327.403 3.621 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(C(F)(F)F)c1 ZINC001143473686 1036996689 /nfs/dbraw/zinc/99/66/89/1036996689.db2.gz QDXZHMZPHIUYRK-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(C(F)(F)F)c1 ZINC001143473686 1036996691 /nfs/dbraw/zinc/99/66/91/1036996691.db2.gz QDXZHMZPHIUYRK-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590726544 1037008044 /nfs/dbraw/zinc/00/80/44/1037008044.db2.gz DKWGYHBJUVOFKN-INIZCTEOSA-N 1 2 329.469 3.861 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000590688501 1037010693 /nfs/dbraw/zinc/01/06/93/1037010693.db2.gz ZOVFGNFFKPVQNO-UHFFFAOYSA-N 1 2 348.468 3.597 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2cccc(OC)c2)CC(C)C)n1 ZINC000590688501 1037010711 /nfs/dbraw/zinc/01/07/11/1037010711.db2.gz ZOVFGNFFKPVQNO-UHFFFAOYSA-N 1 2 348.468 3.597 20 0 EHADLO CC(C)(F)CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666429678 1037013988 /nfs/dbraw/zinc/01/39/88/1037013988.db2.gz KAIWGRZQMXYGPW-IRXDYDNUSA-N 1 2 344.434 3.549 20 0 EHADLO COc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1F ZINC000669999438 1037020704 /nfs/dbraw/zinc/02/07/04/1037020704.db2.gz UIDFNDHAEKSXRM-MRXNPFEDSA-N 1 2 336.838 3.880 20 0 EHADLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000178360645 1037028944 /nfs/dbraw/zinc/02/89/44/1037028944.db2.gz JPNOCZRYSIWMDW-UHFFFAOYSA-N 1 2 327.815 3.582 20 0 EHADLO CC(C)n1ncnc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000310990620 1037035221 /nfs/dbraw/zinc/03/52/21/1037035221.db2.gz VLZPOLTTZTVDOX-UHFFFAOYSA-N 1 2 336.439 3.728 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590732691 1037035512 /nfs/dbraw/zinc/03/55/12/1037035512.db2.gz ODXDROIPSNSBOC-KRWDZBQOSA-N 1 2 327.428 3.539 20 0 EHADLO CCN(CC)c1ccc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c[nH+]1 ZINC000539658162 1037037214 /nfs/dbraw/zinc/03/72/14/1037037214.db2.gz QRKVDPFQVOCJKZ-CQSZACIVSA-N 1 2 338.455 3.986 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000462504018 1037050734 /nfs/dbraw/zinc/05/07/34/1037050734.db2.gz MCJXILOGVSWCPT-AYBZRNKSSA-N 1 2 340.471 3.531 20 0 EHADLO COc1ccc[nH+]c1N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000542144727 1037105053 /nfs/dbraw/zinc/10/50/53/1037105053.db2.gz WAVSKUMRSMYHTA-ZDUSSCGKSA-N 1 2 347.846 3.593 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590869320 1037106210 /nfs/dbraw/zinc/10/62/10/1037106210.db2.gz QLZKOVQHZVYNCE-KRWDZBQOSA-N 1 2 340.471 3.516 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590870172 1037108085 /nfs/dbraw/zinc/10/80/85/1037108085.db2.gz NPBQLQAUAOBAJP-QGZVFWFLSA-N 1 2 346.862 3.516 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)(C)c1ccccc1 ZINC000590871221 1037108492 /nfs/dbraw/zinc/10/84/92/1037108492.db2.gz XQPLHOWDWWAUFK-SJLPKXTDSA-N 1 2 340.471 3.596 20 0 EHADLO CC1(c2ccccc2)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178847139 1037113198 /nfs/dbraw/zinc/11/31/98/1037113198.db2.gz RDEQWQFDYFQIPX-UHFFFAOYSA-N 1 2 348.450 3.598 20 0 EHADLO CC(C)(CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000504912560 1037126808 /nfs/dbraw/zinc/12/68/08/1037126808.db2.gz XQBZMRGUASLQKS-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CC(C)(CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000504912560 1037126824 /nfs/dbraw/zinc/12/68/24/1037126824.db2.gz XQBZMRGUASLQKS-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]C(C)(C)c3cccs3)no2)cc1 ZINC000544469860 1037132206 /nfs/dbraw/zinc/13/22/06/1037132206.db2.gz RUNNTWASYJXULF-UHFFFAOYSA-N 1 2 329.425 3.832 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000105080428 1037148734 /nfs/dbraw/zinc/14/87/34/1037148734.db2.gz QWXMJZLXBKTYGS-AWEZNQCLSA-N 1 2 346.862 3.988 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539790345 1037198837 /nfs/dbraw/zinc/19/88/37/1037198837.db2.gz PPYABBOLNDTFSB-HXUWFJFHSA-N 1 2 346.434 3.929 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000539790805 1037201242 /nfs/dbraw/zinc/20/12/42/1037201242.db2.gz GOGMGWYMPZYKOW-AWEZNQCLSA-N 1 2 327.453 3.768 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000591027669 1037208049 /nfs/dbraw/zinc/20/80/49/1037208049.db2.gz XZCQZBDNAQYCAW-SFHVURJKSA-N 1 2 326.444 3.504 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000087158163 1037218570 /nfs/dbraw/zinc/21/85/70/1037218570.db2.gz FRHWIEWEMAOAAY-CQSZACIVSA-N 1 2 333.407 3.791 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)s1 ZINC000539827028 1037251352 /nfs/dbraw/zinc/25/13/52/1037251352.db2.gz SABJEIOOORJHPI-SFHVURJKSA-N 1 2 345.512 3.871 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)s1 ZINC000539827028 1037251366 /nfs/dbraw/zinc/25/13/66/1037251366.db2.gz SABJEIOOORJHPI-SFHVURJKSA-N 1 2 345.512 3.871 20 0 EHADLO CC(C)c1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(O)c(C(C)C)c1 ZINC000539843685 1037271560 /nfs/dbraw/zinc/27/15/60/1037271560.db2.gz DHKMDKKIDQWVCN-UHFFFAOYSA-N 1 2 327.428 3.533 20 0 EHADLO CCC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000591231426 1037280318 /nfs/dbraw/zinc/28/03/18/1037280318.db2.gz JCCHTHMHRHBUOM-LJQANCHMSA-N 1 2 334.423 3.598 20 0 EHADLO C[C@H]1CC[C@H](c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)CC1 ZINC000573124794 1037294640 /nfs/dbraw/zinc/29/46/40/1037294640.db2.gz JZLBFRSOSACQKW-WKILWMFISA-N 1 2 341.455 3.863 20 0 EHADLO CCOC(=O)CCC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000614821535 1037302348 /nfs/dbraw/zinc/30/23/48/1037302348.db2.gz APUSJTNBBVSCKE-UHFFFAOYSA-N 1 2 342.439 3.803 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(F)c(O)c(F)c1 ZINC000177053507 1037341421 /nfs/dbraw/zinc/34/14/21/1037341421.db2.gz MTGBUFSYRLWSCL-UHFFFAOYSA-N 1 2 346.377 3.909 20 0 EHADLO COc1cc(C[N@H+](C)Cc2csc(-c3ccoc3)n2)ccc1O ZINC000177051164 1037342614 /nfs/dbraw/zinc/34/26/14/1037342614.db2.gz FWIGGGTZQLAWSJ-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2csc(-c3ccoc3)n2)ccc1O ZINC000177051164 1037342639 /nfs/dbraw/zinc/34/26/39/1037342639.db2.gz FWIGGGTZQLAWSJ-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO CS[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301470521 1037384361 /nfs/dbraw/zinc/38/43/61/1037384361.db2.gz OSPFYHXPPOJPMV-JSGCOSHPSA-N 1 2 325.441 3.512 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152614115 1037402782 /nfs/dbraw/zinc/40/27/82/1037402782.db2.gz WQFOYSOUHMOTBL-UHFFFAOYSA-N 1 2 336.395 3.672 20 0 EHADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(Br)c1 ZINC000573376640 1037456320 /nfs/dbraw/zinc/45/63/20/1037456320.db2.gz WIAXKDVVALMRBM-LBPRGKRZSA-N 1 2 336.233 3.650 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000591522837 1037474236 /nfs/dbraw/zinc/47/42/36/1037474236.db2.gz PYMFZXUFXLGCFB-MRXNPFEDSA-N 1 2 345.487 3.924 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000491479032 1037502468 /nfs/dbraw/zinc/50/24/68/1037502468.db2.gz OQAGIRDNIADEGC-OBKZQHTGSA-N 1 2 325.412 3.546 20 0 EHADLO c1ccc([C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C3CC3)CCS2)cc1 ZINC000376539363 1037510909 /nfs/dbraw/zinc/51/09/09/1037510909.db2.gz LNPYQMGFUHEATL-KRWDZBQOSA-N 1 2 340.496 3.781 20 0 EHADLO c1ccc([C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C3CC3)CCS2)cc1 ZINC000376539363 1037510922 /nfs/dbraw/zinc/51/09/22/1037510922.db2.gz LNPYQMGFUHEATL-KRWDZBQOSA-N 1 2 340.496 3.781 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nc1 ZINC000760843393 1037521564 /nfs/dbraw/zinc/52/15/64/1037521564.db2.gz JDEBRGSMHDXQDU-KRWDZBQOSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nc1 ZINC000760843393 1037521582 /nfs/dbraw/zinc/52/15/82/1037521582.db2.gz JDEBRGSMHDXQDU-KRWDZBQOSA-N 1 2 339.464 3.582 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000532486200 1037523814 /nfs/dbraw/zinc/52/38/14/1037523814.db2.gz JMRJRLPMCDMFPL-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000532486200 1037523824 /nfs/dbraw/zinc/52/38/24/1037523824.db2.gz JMRJRLPMCDMFPL-UHFFFAOYSA-N 1 2 336.435 3.801 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591593442 1037534361 /nfs/dbraw/zinc/53/43/61/1037534361.db2.gz LFVQHOBOVWFXNT-SJORKVTESA-N 1 2 332.492 3.932 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000491518290 1037534890 /nfs/dbraw/zinc/53/48/90/1037534890.db2.gz BJGZAWDGCDWNNV-OJLWIZQOSA-N 1 2 344.418 3.644 20 0 EHADLO O=C(/C=C\c1cccnc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000493699458 1037566545 /nfs/dbraw/zinc/56/65/45/1037566545.db2.gz WABUUZDZBVZCQA-KTKRTIGZSA-N 1 2 344.418 3.933 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc2[nH]ccc2c1 ZINC000103579615 1037592310 /nfs/dbraw/zinc/59/23/10/1037592310.db2.gz JTJYXSFDDXILFW-UHFFFAOYSA-N 1 2 349.369 3.814 20 0 EHADLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507852 1037592840 /nfs/dbraw/zinc/59/28/40/1037592840.db2.gz RJIFUQKTVQRXPQ-IUCAKERBSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507852 1037592857 /nfs/dbraw/zinc/59/28/57/1037592857.db2.gz RJIFUQKTVQRXPQ-IUCAKERBSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573577763 1037619931 /nfs/dbraw/zinc/61/99/31/1037619931.db2.gz XQRAEZNXZGPEHJ-XNRPHZJLSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573577763 1037619939 /nfs/dbraw/zinc/61/99/39/1037619939.db2.gz XQRAEZNXZGPEHJ-XNRPHZJLSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811106 1037654135 /nfs/dbraw/zinc/65/41/35/1037654135.db2.gz OBEAHHQEGRFXEI-DNVCBOLYSA-N 1 2 349.434 3.860 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811106 1037654144 /nfs/dbraw/zinc/65/41/44/1037654144.db2.gz OBEAHHQEGRFXEI-DNVCBOLYSA-N 1 2 349.434 3.860 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccccc1F)C1CCCCC1 ZINC000493820637 1037655472 /nfs/dbraw/zinc/65/54/72/1037655472.db2.gz KWVHJWVCNKWCIP-KHPPLWFESA-N 1 2 327.403 3.924 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)n1 ZINC000591811835 1037656892 /nfs/dbraw/zinc/65/68/92/1037656892.db2.gz SMCLGYMPIGHXMM-QGZVFWFLSA-N 1 2 329.444 3.622 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)n1 ZINC000591811835 1037656902 /nfs/dbraw/zinc/65/69/02/1037656902.db2.gz SMCLGYMPIGHXMM-QGZVFWFLSA-N 1 2 329.444 3.622 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(C)[nH+]1 ZINC000573677823 1037661813 /nfs/dbraw/zinc/66/18/13/1037661813.db2.gz FLKRMECQWQPHFZ-CQSZACIVSA-N 1 2 343.431 3.786 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000463037896 1037678420 /nfs/dbraw/zinc/67/84/20/1037678420.db2.gz UXYZMCCYTOHRGY-QGZVFWFLSA-N 1 2 342.508 3.813 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463033931 1037691721 /nfs/dbraw/zinc/69/17/21/1037691721.db2.gz CYVPZTMHVISKIO-MNOVXSKESA-N 1 2 343.315 3.998 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463033931 1037691731 /nfs/dbraw/zinc/69/17/31/1037691731.db2.gz CYVPZTMHVISKIO-MNOVXSKESA-N 1 2 343.315 3.998 20 0 EHADLO Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)c(N(C)C)[nH+]1 ZINC000152788373 1037697020 /nfs/dbraw/zinc/69/70/20/1037697020.db2.gz CNUMEBVRAPTBJZ-UHFFFAOYSA-N 1 2 332.407 3.770 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838588 1037707401 /nfs/dbraw/zinc/70/74/01/1037707401.db2.gz TXAZBJVNVKRETR-JSGCOSHPSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838588 1037707418 /nfs/dbraw/zinc/70/74/18/1037707418.db2.gz TXAZBJVNVKRETR-JSGCOSHPSA-N 1 2 349.272 3.997 20 0 EHADLO CC(C)(C)c1ccc(C2(CNC(=O)CCc3[nH]cc[nH+]3)CCC2)cc1 ZINC000491837208 1037708187 /nfs/dbraw/zinc/70/81/87/1037708187.db2.gz JREUWYLXLXUPPC-UHFFFAOYSA-N 1 2 339.483 3.878 20 0 EHADLO CC(C)Cc1ccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cn1 ZINC000893158602 1037733986 /nfs/dbraw/zinc/73/39/86/1037733986.db2.gz FWBBVJSATALRKP-UHFFFAOYSA-N 1 2 349.482 3.886 20 0 EHADLO O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029913013 1037739886 /nfs/dbraw/zinc/73/98/86/1037739886.db2.gz GABRCOPLHLUJNZ-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C\c1ccsc1 ZINC000491907505 1037761863 /nfs/dbraw/zinc/76/18/63/1037761863.db2.gz RWYYZHNYFWGCJC-PLNGDYQASA-N 1 2 342.464 3.541 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nncs2)cc1 ZINC000053090678 1037791351 /nfs/dbraw/zinc/79/13/51/1037791351.db2.gz OMVVRGGRZAIBIE-HNNXBMFYSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nncs2)cc1 ZINC000053090678 1037791368 /nfs/dbraw/zinc/79/13/68/1037791368.db2.gz OMVVRGGRZAIBIE-HNNXBMFYSA-N 1 2 344.484 3.611 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000540329643 1037830775 /nfs/dbraw/zinc/83/07/75/1037830775.db2.gz ZHTQOSRPHZKNMO-HNNXBMFYSA-N 1 2 337.423 3.714 20 0 EHADLO CC(C)c1cc(NCc2ccc(C[S@](C)=O)cc2)nc(C(C)C)[nH+]1 ZINC000343851992 1037856336 /nfs/dbraw/zinc/85/63/36/1037856336.db2.gz JTFIJDFBPGKZQU-DEOSSOPVSA-N 1 2 345.512 3.636 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117747149 1037862089 /nfs/dbraw/zinc/86/20/89/1037862089.db2.gz DKDFZFVBUZAQCQ-HXUWFJFHSA-N 1 2 347.418 3.858 20 0 EHADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119375386 1037899294 /nfs/dbraw/zinc/89/92/94/1037899294.db2.gz QTHONAFJORVVSO-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000120634629 1037942095 /nfs/dbraw/zinc/94/20/95/1037942095.db2.gz VNJAVXSCGQSNJN-MRXNPFEDSA-N 1 2 333.435 3.668 20 0 EHADLO Cc1ccc(CC(C)(C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000416053855 1037959550 /nfs/dbraw/zinc/95/95/50/1037959550.db2.gz DUMMAILKYADVHE-UHFFFAOYSA-N 1 2 347.462 3.991 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccccc3s2)n1 ZINC000184151320 1038007690 /nfs/dbraw/zinc/00/76/90/1038007690.db2.gz WFENJMONNHFMEZ-MNOVXSKESA-N 1 2 346.481 3.739 20 0 EHADLO CCC(CC)c1cc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)on1 ZINC000123605878 1038044854 /nfs/dbraw/zinc/04/48/54/1038044854.db2.gz MXNMVKLSZPBUIN-UHFFFAOYSA-N 1 2 339.399 3.720 20 0 EHADLO Cc1c(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1N(C)C ZINC000180148361 1038058409 /nfs/dbraw/zinc/05/84/09/1038058409.db2.gz IVDPKLGCNUIHNW-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO CSCc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000123908034 1038102699 /nfs/dbraw/zinc/10/26/99/1038102699.db2.gz VVPNTUIUDHPIJE-SUMWQHHRSA-N 1 2 347.459 3.609 20 0 EHADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000378180119 1038151705 /nfs/dbraw/zinc/15/17/05/1038151705.db2.gz QLPNMLYHJJNFJM-KRWDZBQOSA-N 1 2 342.439 3.689 20 0 EHADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000378180119 1038151709 /nfs/dbraw/zinc/15/17/09/1038151709.db2.gz QLPNMLYHJJNFJM-KRWDZBQOSA-N 1 2 342.439 3.689 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH2+]Cc2nc(C3CC3)cs2)s1 ZINC000893172227 1038182602 /nfs/dbraw/zinc/18/26/02/1038182602.db2.gz PILIRNHPVQQQDE-UHFFFAOYSA-N 1 2 333.404 3.872 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000106808612 1038218742 /nfs/dbraw/zinc/21/87/42/1038218742.db2.gz ZJQOKLHJMGDIKU-INIZCTEOSA-N 1 2 331.419 3.691 20 0 EHADLO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001168257213 1038288524 /nfs/dbraw/zinc/28/85/24/1038288524.db2.gz JZLNTFIKBNAZGG-NVXWUHKLSA-N 1 2 333.472 3.508 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000125281083 1038301750 /nfs/dbraw/zinc/30/17/50/1038301750.db2.gz CEOXPKBVKJRZAH-YESZJQIVSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000125281083 1038301759 /nfs/dbraw/zinc/30/17/59/1038301759.db2.gz CEOXPKBVKJRZAH-YESZJQIVSA-N 1 2 345.487 3.702 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000181002582 1038312718 /nfs/dbraw/zinc/31/27/18/1038312718.db2.gz RIDRELFGQMJRGP-SJCJKPOMSA-N 1 2 333.407 3.937 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)c1 ZINC000924666395 1038344474 /nfs/dbraw/zinc/34/44/74/1038344474.db2.gz XGFDORUTBDUBBS-QGZVFWFLSA-N 1 2 330.815 3.660 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)c(C)[nH+]1 ZINC000667118883 1038447315 /nfs/dbraw/zinc/44/73/15/1038447315.db2.gz ACEKIOGCLVJUBS-IAGOWNOFSA-N 1 2 331.460 3.820 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccccc1N(C)C ZINC000538755320 1038518337 /nfs/dbraw/zinc/51/83/37/1038518337.db2.gz MGIMGHMKZSQKPK-JXFKEZNVSA-N 1 2 334.467 3.926 20 0 EHADLO CC(C)(CNC(=O)/C=C\c1ccc(F)c2ccccc12)n1cc[nH+]c1 ZINC001168359623 1038521106 /nfs/dbraw/zinc/52/11/06/1038521106.db2.gz PYJOCEBFDQHWDM-NTMALXAHSA-N 1 2 337.398 3.740 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000378373573 1038539295 /nfs/dbraw/zinc/53/92/95/1038539295.db2.gz TZZGBDGBQZSYEV-HXUWFJFHSA-N 1 2 348.450 3.662 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000378373573 1038539303 /nfs/dbraw/zinc/53/93/03/1038539303.db2.gz TZZGBDGBQZSYEV-HXUWFJFHSA-N 1 2 348.450 3.662 20 0 EHADLO Cc1[nH]c(CN2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)[nH+]c1C ZINC000628292548 1038549613 /nfs/dbraw/zinc/54/96/13/1038549613.db2.gz IOYJRODGMJGDHC-NSHDSACASA-N 1 2 336.842 3.530 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000339172400 1038616790 /nfs/dbraw/zinc/61/67/90/1038616790.db2.gz YYGMNKFHYVYCSB-BQYQJAHWSA-N 1 2 338.436 3.618 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(C)(F)F)n2)C1 ZINC000643134105 1038618286 /nfs/dbraw/zinc/61/82/86/1038618286.db2.gz MNWQSSFVGQSYQK-NSHDSACASA-N 1 2 331.432 3.749 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(C)(F)F)n2)C1 ZINC000643134105 1038618290 /nfs/dbraw/zinc/61/82/90/1038618290.db2.gz MNWQSSFVGQSYQK-NSHDSACASA-N 1 2 331.432 3.749 20 0 EHADLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000182849745 1038644193 /nfs/dbraw/zinc/64/41/93/1038644193.db2.gz BGPLVRDQFOVSFM-SDNWHVSQSA-N 1 2 348.362 3.823 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cn(Cc3ccccc3)nn2)c1 ZINC000893245096 1038663416 /nfs/dbraw/zinc/66/34/16/1038663416.db2.gz ZQLOMMZLDJFGCS-UHFFFAOYSA-N 1 2 339.468 3.587 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1C ZINC000924685025 1038704339 /nfs/dbraw/zinc/70/43/39/1038704339.db2.gz NGMGCOKXFYTRTB-QGZVFWFLSA-N 1 2 344.846 3.926 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)n2)ccc1OC1CCCC1 ZINC000924688845 1038741556 /nfs/dbraw/zinc/74/15/56/1038741556.db2.gz OVVMHTHYVCMZKS-KGLIPLIRSA-N 1 2 344.459 3.557 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1c(F)cccc1F ZINC000539234925 1038745989 /nfs/dbraw/zinc/74/59/89/1038745989.db2.gz WSNMKRFTQHMSMK-SECBINFHSA-N 1 2 326.293 3.532 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3cccc(C(C)C)c3)cc2[nH+]1 ZINC000533945389 1038755441 /nfs/dbraw/zinc/75/54/41/1038755441.db2.gz OYFQUIHNBOPCKN-UHFFFAOYSA-N 1 2 329.425 3.796 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC2(C)C)c(C)c1 ZINC000554019362 1038785354 /nfs/dbraw/zinc/78/53/54/1038785354.db2.gz YOQRAWAVDBNGOU-QZTJIDSGSA-N 1 2 340.471 3.729 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC2(C)C)c(C)c1 ZINC000554019363 1038786969 /nfs/dbraw/zinc/78/69/69/1038786969.db2.gz YOQRAWAVDBNGOU-ROUUACIJSA-N 1 2 340.471 3.729 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000378651333 1038826875 /nfs/dbraw/zinc/82/68/75/1038826875.db2.gz YLPSBEYBOVTWMJ-LBPRGKRZSA-N 1 2 325.334 3.640 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000378651333 1038826901 /nfs/dbraw/zinc/82/69/01/1038826901.db2.gz YLPSBEYBOVTWMJ-LBPRGKRZSA-N 1 2 325.334 3.640 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000462224816 1038860855 /nfs/dbraw/zinc/86/08/55/1038860855.db2.gz UDYYIQMPOMASDV-HOCLYGCPSA-N 1 2 335.517 3.715 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@](C)(C(F)F)O1 ZINC000668826033 1038907528 /nfs/dbraw/zinc/90/75/28/1038907528.db2.gz ZXSIODPMZKBGHT-SCLBCKFNSA-N 1 2 349.381 3.513 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@](C)(C(F)F)O1 ZINC000668826033 1038907543 /nfs/dbraw/zinc/90/75/43/1038907543.db2.gz ZXSIODPMZKBGHT-SCLBCKFNSA-N 1 2 349.381 3.513 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)[nH]1 ZINC000432722560 1038918832 /nfs/dbraw/zinc/91/88/32/1038918832.db2.gz MRGRYPYHVRLLRH-SNVBAGLBSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)[nH]1 ZINC000432722560 1038918842 /nfs/dbraw/zinc/91/88/42/1038918842.db2.gz MRGRYPYHVRLLRH-SNVBAGLBSA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)n[nH]1 ZINC000432722560 1038918904 /nfs/dbraw/zinc/91/89/04/1038918904.db2.gz MRGRYPYHVRLLRH-SNVBAGLBSA-N 1 2 330.379 3.573 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(C)nc(C)n1 ZINC000660072693 1038932995 /nfs/dbraw/zinc/93/29/95/1038932995.db2.gz OBVSJXIIOQKRFJ-UHFFFAOYSA-N 1 2 346.862 3.598 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(C)nc(C)n1 ZINC000660072693 1038933007 /nfs/dbraw/zinc/93/30/07/1038933007.db2.gz OBVSJXIIOQKRFJ-UHFFFAOYSA-N 1 2 346.862 3.598 20 0 EHADLO Fc1cccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000660075541 1038943447 /nfs/dbraw/zinc/94/34/47/1038943447.db2.gz ADEWJMXHLXYPRS-GFCCVEGCSA-N 1 2 325.334 3.530 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000488244015 1038999344 /nfs/dbraw/zinc/99/93/44/1038999344.db2.gz NYTSSUMBOLAGAY-UHFFFAOYSA-N 1 2 346.430 3.925 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000488244015 1038999356 /nfs/dbraw/zinc/99/93/56/1038999356.db2.gz NYTSSUMBOLAGAY-UHFFFAOYSA-N 1 2 346.430 3.925 20 0 EHADLO C[N@H+](Cc1nc2ccc(F)cc2s1)Cc1ccc2c(c1)OCO2 ZINC000432754910 1039053026 /nfs/dbraw/zinc/05/30/26/1039053026.db2.gz PRYUUGOAYLFTQN-UHFFFAOYSA-N 1 2 330.384 3.796 20 0 EHADLO C[N@@H+](Cc1nc2ccc(F)cc2s1)Cc1ccc2c(c1)OCO2 ZINC000432754910 1039053043 /nfs/dbraw/zinc/05/30/43/1039053043.db2.gz PRYUUGOAYLFTQN-UHFFFAOYSA-N 1 2 330.384 3.796 20 0 EHADLO O=C(c1cscc1Cl)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777611 1039086405 /nfs/dbraw/zinc/08/64/05/1039086405.db2.gz JLEXYIFAJZLSRS-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO O=C(c1cscc1Cl)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777611 1039086423 /nfs/dbraw/zinc/08/64/23/1039086423.db2.gz JLEXYIFAJZLSRS-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCC(F)(F)C1 ZINC000552230516 1039096063 /nfs/dbraw/zinc/09/60/63/1039096063.db2.gz IEZYIYSFZWCYCQ-RBSFLKMASA-N 1 2 337.414 3.746 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H](C)N1CC(F)(F)F ZINC000898471304 1039104636 /nfs/dbraw/zinc/10/46/36/1039104636.db2.gz QQYBNNFRIGUENJ-LQOBQMSGSA-N 1 2 330.369 3.796 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H](C)N1CC(F)(F)F ZINC000898471304 1039104646 /nfs/dbraw/zinc/10/46/46/1039104646.db2.gz QQYBNNFRIGUENJ-LQOBQMSGSA-N 1 2 330.369 3.796 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1COc2ccc(Cl)cc21 ZINC000488374815 1039129421 /nfs/dbraw/zinc/12/94/21/1039129421.db2.gz ZGSDHWKXIGHWNT-MRXNPFEDSA-N 1 2 339.782 3.640 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000480088286 1039134563 /nfs/dbraw/zinc/13/45/63/1039134563.db2.gz SNMOZMWMROILAR-GJZGRUSLSA-N 1 2 336.439 3.996 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(O)c(=O)c1 ZINC000663830851 1039155913 /nfs/dbraw/zinc/15/59/13/1039155913.db2.gz NIAQVKSKGLBXKM-KRWDZBQOSA-N 1 2 345.464 3.511 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(O)c(=O)c1 ZINC000663830851 1039155927 /nfs/dbraw/zinc/15/59/27/1039155927.db2.gz NIAQVKSKGLBXKM-KRWDZBQOSA-N 1 2 345.464 3.511 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc3ncsc3c2)n1 ZINC000432784918 1039169563 /nfs/dbraw/zinc/16/95/63/1039169563.db2.gz JIFQBCZRUMWJGD-SNVBAGLBSA-N 1 2 347.465 3.780 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(O)c(=O)c1 ZINC000663835071 1039211862 /nfs/dbraw/zinc/21/18/62/1039211862.db2.gz ZZFBOYQAOBMKDQ-HXUWFJFHSA-N 1 2 338.451 3.854 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c(O)c(=O)c1 ZINC000663835071 1039211874 /nfs/dbraw/zinc/21/18/74/1039211874.db2.gz ZZFBOYQAOBMKDQ-HXUWFJFHSA-N 1 2 338.451 3.854 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cc(F)cc(Br)c2)C1 ZINC000668514332 1039226247 /nfs/dbraw/zinc/22/62/47/1039226247.db2.gz DEVZDDOMDYDSGV-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000051422994 1039238099 /nfs/dbraw/zinc/23/80/99/1039238099.db2.gz BBVZXWLIPDDODT-INIZCTEOSA-N 1 2 335.455 3.979 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000051422994 1039238118 /nfs/dbraw/zinc/23/81/18/1039238118.db2.gz BBVZXWLIPDDODT-INIZCTEOSA-N 1 2 335.455 3.979 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000898583306 1039292417 /nfs/dbraw/zinc/29/24/17/1039292417.db2.gz JGHKNDHOYQEUAR-UHFFFAOYSA-N 1 2 340.418 3.514 20 0 EHADLO Cc1ccc(-c2cccnc2)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000432808913 1039305190 /nfs/dbraw/zinc/30/51/90/1039305190.db2.gz NDJHDJOTNHBHAS-UHFFFAOYSA-N 1 2 347.422 3.686 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)C)c(C)c1 ZINC000429826077 1039316183 /nfs/dbraw/zinc/31/61/83/1039316183.db2.gz JELWVVQLALPHAI-SFHVURJKSA-N 1 2 328.460 3.539 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C)Cc1nnc(C)o1 ZINC000668519856 1039322469 /nfs/dbraw/zinc/32/24/69/1039322469.db2.gz DYLZUQSBKUUWRS-FLIBITNWSA-N 1 2 325.334 3.932 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C)Cc1nnc(C)o1 ZINC000668519856 1039322486 /nfs/dbraw/zinc/32/24/86/1039322486.db2.gz DYLZUQSBKUUWRS-FLIBITNWSA-N 1 2 325.334 3.932 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)sc1C ZINC000552514652 1039334295 /nfs/dbraw/zinc/33/42/95/1039334295.db2.gz JVMILWWHFFPUJP-AWEZNQCLSA-N 1 2 347.459 3.581 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)sc1C ZINC000552514652 1039334302 /nfs/dbraw/zinc/33/43/02/1039334302.db2.gz JVMILWWHFFPUJP-AWEZNQCLSA-N 1 2 347.459 3.581 20 0 EHADLO CCCn1cc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)nn1 ZINC000927140381 1039360829 /nfs/dbraw/zinc/36/08/29/1039360829.db2.gz NJFSZCBAMBCWCC-NEPJUHHUSA-N 1 2 334.851 3.688 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464409 1039361159 /nfs/dbraw/zinc/36/11/59/1039361159.db2.gz WACURZANLQJXSS-DOTOQJQBSA-N 1 2 341.459 3.759 20 0 EHADLO COc1ccc(CN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000584617440 1039376868 /nfs/dbraw/zinc/37/68/68/1039376868.db2.gz UIRGXCBBPGTOCL-HOTGVXAUSA-N 1 2 341.455 3.670 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1OCC(C)C ZINC000485688963 1039404360 /nfs/dbraw/zinc/40/43/60/1039404360.db2.gz ZPSGFAPMMZVOAS-HXUWFJFHSA-N 1 2 333.472 3.731 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1OCC(C)C ZINC000485688963 1039404373 /nfs/dbraw/zinc/40/43/73/1039404373.db2.gz ZPSGFAPMMZVOAS-HXUWFJFHSA-N 1 2 333.472 3.731 20 0 EHADLO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660160019 1039453164 /nfs/dbraw/zinc/45/31/64/1039453164.db2.gz JSYSOXJIHYGZSK-AWEZNQCLSA-N 1 2 347.684 3.625 20 0 EHADLO C[C@@]1(CCCO)CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660160019 1039453171 /nfs/dbraw/zinc/45/31/71/1039453171.db2.gz JSYSOXJIHYGZSK-AWEZNQCLSA-N 1 2 347.684 3.625 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3cn(C4CC4)nn3)c(C)c2c1 ZINC000906290331 1039453612 /nfs/dbraw/zinc/45/36/12/1039453612.db2.gz LQYWZXXDIUITAG-LBPRGKRZSA-N 1 2 326.400 3.527 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000667663636 1039459270 /nfs/dbraw/zinc/45/92/70/1039459270.db2.gz SHHQLOLJCYJBFT-VLIAUNLRSA-N 1 2 343.446 3.789 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000667663636 1039459274 /nfs/dbraw/zinc/45/92/74/1039459274.db2.gz SHHQLOLJCYJBFT-VLIAUNLRSA-N 1 2 343.446 3.789 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906302879 1039459507 /nfs/dbraw/zinc/45/95/07/1039459507.db2.gz UDVIOXSMRQGHPD-KDOFPFPSSA-N 1 2 326.444 3.595 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906302879 1039459513 /nfs/dbraw/zinc/45/95/13/1039459513.db2.gz UDVIOXSMRQGHPD-KDOFPFPSSA-N 1 2 326.444 3.595 20 0 EHADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000432831352 1039498100 /nfs/dbraw/zinc/49/81/00/1039498100.db2.gz JJVRCDSHKYCFPW-QGZVFWFLSA-N 1 2 348.288 3.736 20 0 EHADLO Cn1cc(Br)c(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000432831352 1039498111 /nfs/dbraw/zinc/49/81/11/1039498111.db2.gz JJVRCDSHKYCFPW-QGZVFWFLSA-N 1 2 348.288 3.736 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000554597852 1039525953 /nfs/dbraw/zinc/52/59/53/1039525953.db2.gz YYGAZQCEOIAJCA-NRFANRHFSA-N 1 2 345.446 3.870 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000906412972 1039548076 /nfs/dbraw/zinc/54/80/76/1039548076.db2.gz XIPZSLNZLXCQNV-AZUAARDMSA-N 1 2 338.451 3.905 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000906468953 1039583711 /nfs/dbraw/zinc/58/37/11/1039583711.db2.gz WBBZCJZAZUAJNM-UHFFFAOYSA-N 1 2 346.434 3.855 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@]2(CC2(F)F)C1 ZINC000911914571 1039587810 /nfs/dbraw/zinc/58/78/10/1039587810.db2.gz HNTIHMVCASBCQK-SFHVURJKSA-N 1 2 343.377 3.509 20 0 EHADLO CSc1cc(C)ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000417257936 1039603223 /nfs/dbraw/zinc/60/32/23/1039603223.db2.gz HZJUVDGNXXVXRS-UHFFFAOYSA-N 1 2 344.484 3.614 20 0 EHADLO Oc1c(F)cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1F ZINC000092661147 1039628303 /nfs/dbraw/zinc/62/83/03/1039628303.db2.gz NUSUAOCXMXSPIC-UHFFFAOYSA-N 1 2 337.341 3.853 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899583 1039673136 /nfs/dbraw/zinc/67/31/36/1039673136.db2.gz LZOFYWCBQKPPJU-GFCCVEGCSA-N 1 2 337.876 3.569 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)n2C ZINC000187582143 1039680175 /nfs/dbraw/zinc/68/01/75/1039680175.db2.gz AVSINPRHOSCHEJ-UHFFFAOYSA-N 1 2 344.802 3.733 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000554761119 1039692665 /nfs/dbraw/zinc/69/26/65/1039692665.db2.gz MJWUSTXBLNGPPU-KDOFPFPSSA-N 1 2 335.407 3.578 20 0 EHADLO CC(C)(CNC(=O)C(C)(C)c1ccc(Cl)cc1F)n1cc[nH+]c1 ZINC000898906110 1039692908 /nfs/dbraw/zinc/69/29/08/1039692908.db2.gz AOOZSPQVCKVIPA-UHFFFAOYSA-N 1 2 337.826 3.505 20 0 EHADLO Cc1nc(-c2ccc(C[NH2+][C@H]3C[C@@H](C)n4ncnc43)cc2)cs1 ZINC000924808438 1039696430 /nfs/dbraw/zinc/69/64/30/1039696430.db2.gz CGIXAWYXUPVOAI-ABAIWWIYSA-N 1 2 325.441 3.506 20 0 EHADLO CCCc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000478791201 1039708630 /nfs/dbraw/zinc/70/86/30/1039708630.db2.gz BFZUWKPHBHFKGX-UHFFFAOYSA-N 1 2 343.496 3.803 20 0 EHADLO COC(=O)Nc1cccc(CNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC000893835742 1039735086 /nfs/dbraw/zinc/73/50/86/1039735086.db2.gz BVBPCSYMZJMULI-UHFFFAOYSA-N 1 2 326.400 3.843 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)ccc21 ZINC000553062188 1039743225 /nfs/dbraw/zinc/74/32/25/1039743225.db2.gz IVEKLJKAIJOGEV-MRXNPFEDSA-N 1 2 336.439 3.695 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000007915199 1039749285 /nfs/dbraw/zinc/74/92/85/1039749285.db2.gz NUTADSGQCNCHIQ-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000007915199 1039749297 /nfs/dbraw/zinc/74/92/97/1039749297.db2.gz NUTADSGQCNCHIQ-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO Cc1cc(F)cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000152853493 1039781236 /nfs/dbraw/zinc/78/12/36/1039781236.db2.gz LYBPPJPVITUHQR-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1cnn2c1CCC2 ZINC000667713113 1039784994 /nfs/dbraw/zinc/78/49/94/1039784994.db2.gz YEWROFKKUGZASW-GFCCVEGCSA-N 1 2 346.272 3.539 20 0 EHADLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1cnn2c1CCC2 ZINC000667713113 1039785011 /nfs/dbraw/zinc/78/50/11/1039785011.db2.gz YEWROFKKUGZASW-GFCCVEGCSA-N 1 2 346.272 3.539 20 0 EHADLO Brc1cccc2c(N3CCO[C@@H](C4CC4)C3)cc[nH+]c12 ZINC000486025363 1039794944 /nfs/dbraw/zinc/79/49/44/1039794944.db2.gz ZRGSCMHCNUWMER-OAHLLOKOSA-N 1 2 333.229 3.613 20 0 EHADLO CC[N@H+](CC(=O)NCc1cccc(F)c1)Cc1ccccc1Cl ZINC000549758794 1039808055 /nfs/dbraw/zinc/80/80/55/1039808055.db2.gz BCYIXUNUYIJGKD-UHFFFAOYSA-N 1 2 334.822 3.617 20 0 EHADLO CC[N@@H+](CC(=O)NCc1cccc(F)c1)Cc1ccccc1Cl ZINC000549758794 1039808071 /nfs/dbraw/zinc/80/80/71/1039808071.db2.gz BCYIXUNUYIJGKD-UHFFFAOYSA-N 1 2 334.822 3.617 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000549778289 1039840084 /nfs/dbraw/zinc/84/00/84/1039840084.db2.gz YNIFSTAPWRDVBE-UHFFFAOYSA-N 1 2 325.412 3.668 20 0 EHADLO [NH3+][C@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(F)F ZINC000912395747 1039869697 /nfs/dbraw/zinc/86/96/97/1039869697.db2.gz SSKMXBRDBWBDMY-NEPJUHHUSA-N 1 2 337.197 3.639 20 0 EHADLO Oc1ccccc1N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553237232 1039906199 /nfs/dbraw/zinc/90/61/99/1039906199.db2.gz RKAAMQJLKLSRNI-UHFFFAOYSA-N 1 2 339.826 3.920 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+](C)[C@H]3CC3(C)C)cs2)cc1 ZINC000489442591 1039963052 /nfs/dbraw/zinc/96/30/52/1039963052.db2.gz VAJZAEULTMYQFD-INIZCTEOSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+](C)[C@H]3CC3(C)C)cs2)cc1 ZINC000489442591 1039963063 /nfs/dbraw/zinc/96/30/63/1039963063.db2.gz VAJZAEULTMYQFD-INIZCTEOSA-N 1 2 332.469 3.961 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000893310728 1039964052 /nfs/dbraw/zinc/96/40/52/1039964052.db2.gz NXRFGBVWNSHMSG-LJQANCHMSA-N 1 2 327.472 3.524 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000893310728 1039964063 /nfs/dbraw/zinc/96/40/63/1039964063.db2.gz NXRFGBVWNSHMSG-LJQANCHMSA-N 1 2 327.472 3.524 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230978 1039972988 /nfs/dbraw/zinc/97/29/88/1039972988.db2.gz JALLDWAUCCUDDQ-RDTXWAMCSA-N 1 2 330.403 3.652 20 0 EHADLO CCCc1ccc([C@H]([NH2+]Cc2noc(CCOC)n2)C(C)C)cc1 ZINC000554940224 1039980133 /nfs/dbraw/zinc/98/01/33/1039980133.db2.gz FDYCKNFLIDPZDE-LJQANCHMSA-N 1 2 331.460 3.698 20 0 EHADLO Cc1cc(NCc2c[nH+]c(C)n2-c2ccccc2)nn1CC(F)(F)F ZINC000842223659 1039983154 /nfs/dbraw/zinc/98/31/54/1039983154.db2.gz MWFMSAKOONCRTF-UHFFFAOYSA-N 1 2 349.360 3.860 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)cc12 ZINC000894043001 1040003679 /nfs/dbraw/zinc/00/36/79/1040003679.db2.gz QKWCNSABOZINFX-KZULUSFZSA-N 1 2 341.386 3.632 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)cc12 ZINC000894043001 1040003696 /nfs/dbraw/zinc/00/36/96/1040003696.db2.gz QKWCNSABOZINFX-KZULUSFZSA-N 1 2 341.386 3.632 20 0 EHADLO Cc1cc(OCC(=O)N(CC(F)(F)F)C(C)C)c2ccccc2[nH+]1 ZINC000486235394 1040005038 /nfs/dbraw/zinc/00/50/38/1040005038.db2.gz ZNVXNKBJWFNEJF-UHFFFAOYSA-N 1 2 340.345 3.721 20 0 EHADLO O[C@H](CNc1[nH+]cccc1OCc1ccccc1)Cc1ccccc1 ZINC000553366883 1040012392 /nfs/dbraw/zinc/01/23/92/1040012392.db2.gz MRXHMHHVJREADF-IBGZPJMESA-N 1 2 334.419 3.676 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000162436496 1040019168 /nfs/dbraw/zinc/01/91/68/1040019168.db2.gz VVUMXGIAPQQWNG-CQSZACIVSA-N 1 2 342.443 3.690 20 0 EHADLO CC(C)(CNC(=O)c1ccccc1SC(F)(F)F)n1cc[nH+]c1 ZINC000912616526 1040023300 /nfs/dbraw/zinc/02/33/00/1040023300.db2.gz JEKXJHQQDZUNMP-UHFFFAOYSA-N 1 2 343.374 3.660 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000907358229 1040024566 /nfs/dbraw/zinc/02/45/66/1040024566.db2.gz GXZFQRASGWJCCG-MSOLQXFVSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000364160101 1040035031 /nfs/dbraw/zinc/03/50/31/1040035031.db2.gz ZLCQXGPOZOAYKE-HNNXBMFYSA-N 1 2 338.810 3.875 20 0 EHADLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000364160101 1040035050 /nfs/dbraw/zinc/03/50/50/1040035050.db2.gz ZLCQXGPOZOAYKE-HNNXBMFYSA-N 1 2 338.810 3.875 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000553384977 1040037871 /nfs/dbraw/zinc/03/78/71/1040037871.db2.gz YSGJSFODNUQBJR-DOTOQJQBSA-N 1 2 340.496 3.617 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000553384977 1040037882 /nfs/dbraw/zinc/03/78/82/1040037882.db2.gz YSGJSFODNUQBJR-DOTOQJQBSA-N 1 2 340.496 3.617 20 0 EHADLO CCSc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000479209194 1040045518 /nfs/dbraw/zinc/04/55/18/1040045518.db2.gz BFVQINFSEUJYOX-OAHLLOKOSA-N 1 2 343.496 3.627 20 0 EHADLO Cc1cc(C)c(C(=O)NC2CCC(O)(c3ccccc3)CC2)c(C)[nH+]1 ZINC000907380726 1040045535 /nfs/dbraw/zinc/04/55/35/1040045535.db2.gz OSSSZDPXGDXDJX-UHFFFAOYSA-N 1 2 338.451 3.567 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000899120964 1040051794 /nfs/dbraw/zinc/05/17/94/1040051794.db2.gz WHNLNEKGTKEBNZ-KFGODFMUSA-N 1 2 327.472 3.747 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012647 1040059714 /nfs/dbraw/zinc/05/97/14/1040059714.db2.gz KHOGGKNUUZVDNG-MOPGFXCFSA-N 1 2 333.378 3.726 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012647 1040059728 /nfs/dbraw/zinc/05/97/28/1040059728.db2.gz KHOGGKNUUZVDNG-MOPGFXCFSA-N 1 2 333.378 3.726 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c(C)[nH+]1 ZINC000907503310 1040077310 /nfs/dbraw/zinc/07/73/10/1040077310.db2.gz QTEIRKIZOAMGEB-NRFANRHFSA-N 1 2 336.435 3.669 20 0 EHADLO CCCC(C)(C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000486355486 1040083941 /nfs/dbraw/zinc/08/39/41/1040083941.db2.gz TWAUFQQWENZIHE-UHFFFAOYSA-N 1 2 346.519 3.773 20 0 EHADLO COc1cccc(SC)c1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000417679399 1040142464 /nfs/dbraw/zinc/14/24/64/1040142464.db2.gz LETIQXMMCRYQIL-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc(C)n(C)n2)c2ccc(F)cc2)cc1 ZINC000486461303 1040163753 /nfs/dbraw/zinc/16/37/53/1040163753.db2.gz PIUWJFJPQDEDIV-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000584872951 1040175070 /nfs/dbraw/zinc/17/50/70/1040175070.db2.gz JQEKMMSUGNZWPH-QUCCMNQESA-N 1 2 333.435 3.882 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)[nH]1 ZINC000907813919 1040181110 /nfs/dbraw/zinc/18/11/10/1040181110.db2.gz BXFAWDJTINQNPT-OAHLLOKOSA-N 1 2 340.471 3.690 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)[nH]1 ZINC000907813919 1040181113 /nfs/dbraw/zinc/18/11/13/1040181113.db2.gz BXFAWDJTINQNPT-OAHLLOKOSA-N 1 2 340.471 3.690 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)F ZINC000907814869 1040181600 /nfs/dbraw/zinc/18/16/00/1040181600.db2.gz IAJXPYSQIUDKFQ-JQWIXIFHSA-N 1 2 343.393 3.629 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)F ZINC000907814869 1040181609 /nfs/dbraw/zinc/18/16/09/1040181609.db2.gz IAJXPYSQIUDKFQ-JQWIXIFHSA-N 1 2 343.393 3.629 20 0 EHADLO CC(C)(C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000907815109 1040182206 /nfs/dbraw/zinc/18/22/06/1040182206.db2.gz IURUPZWIGGWERB-OAHLLOKOSA-N 1 2 329.488 3.867 20 0 EHADLO CC(C)(C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000907815109 1040182215 /nfs/dbraw/zinc/18/22/15/1040182215.db2.gz IURUPZWIGGWERB-OAHLLOKOSA-N 1 2 329.488 3.867 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000432937144 1040221767 /nfs/dbraw/zinc/22/17/67/1040221767.db2.gz JYSOYFQZQLBMAF-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000432937144 1040221785 /nfs/dbraw/zinc/22/17/85/1040221785.db2.gz JYSOYFQZQLBMAF-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2[nH+]ccc3c(N)cccc32)C1 ZINC000663873143 1040244609 /nfs/dbraw/zinc/24/46/09/1040244609.db2.gz WMMRKZAYMHXIFO-OLQIXAPSSA-N 1 2 325.456 3.583 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000555160427 1040245352 /nfs/dbraw/zinc/24/53/52/1040245352.db2.gz DINVJXJYXNEIHI-SJORKVTESA-N 1 2 340.471 3.652 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000667494036 1040268964 /nfs/dbraw/zinc/26/89/64/1040268964.db2.gz LFOQTDIHIVKVGJ-UHFFFAOYSA-N 1 2 339.361 3.828 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000667494036 1040268982 /nfs/dbraw/zinc/26/89/82/1040268982.db2.gz LFOQTDIHIVKVGJ-UHFFFAOYSA-N 1 2 339.361 3.828 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1CCCCC1 ZINC000490031324 1040298535 /nfs/dbraw/zinc/29/85/35/1040298535.db2.gz ICCBMCBWHQYTDH-UWVGGRQHSA-N 1 2 349.422 3.650 20 0 EHADLO Cc1ccc(NCc2cccc3[nH+]ccn32)cc1C(=O)N1CCCCC1 ZINC000278829500 1040306876 /nfs/dbraw/zinc/30/68/76/1040306876.db2.gz UWHITMUVLFSXRV-UHFFFAOYSA-N 1 2 348.450 3.881 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426882 1040319429 /nfs/dbraw/zinc/31/94/29/1040319429.db2.gz VAGGDQCCLUGHMT-GJZGRUSLSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065426882 1040319451 /nfs/dbraw/zinc/31/94/51/1040319451.db2.gz VAGGDQCCLUGHMT-GJZGRUSLSA-N 1 2 326.440 3.666 20 0 EHADLO CSc1ccccc1C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432985975 1040373900 /nfs/dbraw/zinc/37/39/00/1040373900.db2.gz PJRHSCDIQCXYNB-JTQLQIEISA-N 1 2 338.274 3.812 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224496 1040406269 /nfs/dbraw/zinc/40/62/69/1040406269.db2.gz NFEASYPBTOWCGX-CVEARBPZSA-N 1 2 339.430 3.588 20 0 EHADLO CCC(C)(CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224496 1040406277 /nfs/dbraw/zinc/40/62/77/1040406277.db2.gz NFEASYPBTOWCGX-CVEARBPZSA-N 1 2 339.430 3.588 20 0 EHADLO CCn1c[nH+]cc1CN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000417983354 1040413296 /nfs/dbraw/zinc/41/32/96/1040413296.db2.gz BIMIGVOWFNKTEL-UHFFFAOYSA-N 1 2 339.270 3.532 20 0 EHADLO CC(C)C1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000479604303 1040422892 /nfs/dbraw/zinc/42/28/92/1040422892.db2.gz MRRPLEQTRLRQLZ-BFWZDYSYSA-N 1 2 332.492 3.690 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(OC(F)F)c(F)c2)c(C)[nH+]1 ZINC000908429274 1040446878 /nfs/dbraw/zinc/44/68/78/1040446878.db2.gz IMVINZOCMYDNIC-UHFFFAOYSA-N 1 2 338.329 3.677 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000418016111 1040454733 /nfs/dbraw/zinc/45/47/33/1040454733.db2.gz WKFIZCMSLSREAY-UHFFFAOYSA-N 1 2 335.333 3.720 20 0 EHADLO CC(C)(CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000908449106 1040459918 /nfs/dbraw/zinc/45/99/18/1040459918.db2.gz VUOAPGSGIQKFOO-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)[nH]1 ZINC000486803576 1040472074 /nfs/dbraw/zinc/47/20/74/1040472074.db2.gz ZVSSYODEJSNEGO-OLZOCXBDSA-N 1 2 330.480 3.950 20 0 EHADLO C[C@@H]1[N@H+](Cc2ccc(Br)c3cccnc23)CCOC1(C)C ZINC000490340036 1040501642 /nfs/dbraw/zinc/50/16/42/1040501642.db2.gz LORAEQMRQSRHHU-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@@H]1[N@@H+](Cc2ccc(Br)c3cccnc23)CCOC1(C)C ZINC000490340036 1040501662 /nfs/dbraw/zinc/50/16/62/1040501662.db2.gz LORAEQMRQSRHHU-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO COc1cccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1F ZINC000192959751 1040504521 /nfs/dbraw/zinc/50/45/21/1040504521.db2.gz GMGXYGFTWFRGPH-JCQPUDPBSA-N 1 2 335.444 3.765 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1F ZINC000192959751 1040504538 /nfs/dbraw/zinc/50/45/38/1040504538.db2.gz GMGXYGFTWFRGPH-JCQPUDPBSA-N 1 2 335.444 3.765 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@](=O)CC[C@H]3C)o2)cc1 ZINC000433031441 1040505981 /nfs/dbraw/zinc/50/59/81/1040505981.db2.gz YWFJESHDDQLTNT-IQMFZBJNSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@](=O)CC[C@H]3C)o2)cc1 ZINC000433031441 1040506000 /nfs/dbraw/zinc/50/60/00/1040506000.db2.gz YWFJESHDDQLTNT-IQMFZBJNSA-N 1 2 331.481 3.852 20 0 EHADLO FC(F)OC1CCC([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000651468165 1040539649 /nfs/dbraw/zinc/53/96/49/1040539649.db2.gz ZTRNNEGYKHDMCJ-JXQTWKCFSA-N 1 2 328.407 3.566 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000512700987 1040566603 /nfs/dbraw/zinc/56/66/03/1040566603.db2.gz GOKIYTQFGDMHSJ-AFYVEPGGSA-N 1 2 349.478 3.606 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]1CCC1CCCCC1 ZINC000486948679 1040578917 /nfs/dbraw/zinc/57/89/17/1040578917.db2.gz VACXVAYBMUFRIJ-SFHVURJKSA-N 1 2 332.492 3.808 20 0 EHADLO Cc1[nH+]c(NCCC(C)(F)F)nc(NCCC(C)(F)F)c1F ZINC000663947423 1040580209 /nfs/dbraw/zinc/58/02/09/1040580209.db2.gz YZBIHZVMDLHKTF-UHFFFAOYSA-N 1 2 326.313 3.839 20 0 EHADLO C[C@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)Cc2ccccc21 ZINC000913140454 1040593577 /nfs/dbraw/zinc/59/35/77/1040593577.db2.gz BOEMABISRAOLPC-LBPRGKRZSA-N 1 2 328.799 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)Cc2ccccc21 ZINC000913140454 1040593586 /nfs/dbraw/zinc/59/35/86/1040593586.db2.gz BOEMABISRAOLPC-LBPRGKRZSA-N 1 2 328.799 3.825 20 0 EHADLO Fc1cccc(Br)c1C[NH2+][C@H]1COCc2ccccc21 ZINC000418111922 1040602127 /nfs/dbraw/zinc/60/21/27/1040602127.db2.gz YKBYGKOTRRYKQS-INIZCTEOSA-N 1 2 336.204 3.949 20 0 EHADLO O=C(Nc1ccc2c(c1)C=CCCC2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000667857892 1040602519 /nfs/dbraw/zinc/60/25/19/1040602519.db2.gz YWTDCFMMVRXMNC-IBGZPJMESA-N 1 2 348.450 3.832 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)n1 ZINC000151140446 1040611302 /nfs/dbraw/zinc/61/13/02/1040611302.db2.gz NFDNDTLDSDXNQT-HOCLYGCPSA-N 1 2 349.500 3.748 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](CC)C[C@H](O)c2ccc(C)cc2)n1 ZINC000151140446 1040611310 /nfs/dbraw/zinc/61/13/10/1040611310.db2.gz NFDNDTLDSDXNQT-HOCLYGCPSA-N 1 2 349.500 3.748 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(CO)on2)cc1OC ZINC000924820232 1040627584 /nfs/dbraw/zinc/62/75/84/1040627584.db2.gz OOAYSFXHSCBONO-ZIAGYGMSSA-N 1 2 348.443 3.766 20 0 EHADLO Cc1[nH]c(C2CCN(C(=O)c3ccc(C(C)C)cc3O)CC2)[nH+]c1C ZINC000899505670 1040636823 /nfs/dbraw/zinc/63/68/23/1040636823.db2.gz PQDUSTHNADQFBY-UHFFFAOYSA-N 1 2 341.455 3.875 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000411294835 1040687351 /nfs/dbraw/zinc/68/73/51/1040687351.db2.gz SBWDIAYLABLFJH-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000411294835 1040687358 /nfs/dbraw/zinc/68/73/58/1040687358.db2.gz SBWDIAYLABLFJH-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)cc1 ZINC000490679070 1040688347 /nfs/dbraw/zinc/68/83/47/1040688347.db2.gz YSBYELJDDVCQDI-SFHVURJKSA-N 1 2 325.460 3.859 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCC[N@H+]2Cc2nnnn2C2CC2)cc1 ZINC000490679070 1040688353 /nfs/dbraw/zinc/68/83/53/1040688353.db2.gz YSBYELJDDVCQDI-SFHVURJKSA-N 1 2 325.460 3.859 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000660355761 1040696691 /nfs/dbraw/zinc/69/66/91/1040696691.db2.gz AXAWTIMVOYVAMK-ZNXRZULTSA-N 1 2 342.487 3.544 20 0 EHADLO CCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000490764775 1040723353 /nfs/dbraw/zinc/72/33/53/1040723353.db2.gz UXPWDWBJPQANHP-UHFFFAOYSA-N 1 2 346.862 3.799 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000669092808 1040731805 /nfs/dbraw/zinc/73/18/05/1040731805.db2.gz YXDGSTAFYOHFGX-HUUCEWRRSA-N 1 2 349.438 3.627 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000433104394 1040762996 /nfs/dbraw/zinc/76/29/96/1040762996.db2.gz MEPAVMHKTJGJAH-UHFFFAOYSA-N 1 2 325.799 3.766 20 0 EHADLO CC(C)(C)C(C)(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000512758820 1040781844 /nfs/dbraw/zinc/78/18/44/1040781844.db2.gz MATGHQYDVSEKSH-OAHLLOKOSA-N 1 2 331.504 3.998 20 0 EHADLO CCc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)oc1CC ZINC000487216149 1040800240 /nfs/dbraw/zinc/80/02/40/1040800240.db2.gz DCQWMWKCRIJXMT-UHFFFAOYSA-N 1 2 341.386 3.659 20 0 EHADLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cc(C)no3)o2)cc1 ZINC000614245177 1040810183 /nfs/dbraw/zinc/81/01/83/1040810183.db2.gz WJRXZNYKBBGUBR-UHFFFAOYSA-N 1 2 340.379 3.710 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660371010 1040812441 /nfs/dbraw/zinc/81/24/41/1040812441.db2.gz NVTFDWBHHSYWDB-CQSZACIVSA-N 1 2 330.375 3.840 20 0 EHADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660371010 1040812459 /nfs/dbraw/zinc/81/24/59/1040812459.db2.gz NVTFDWBHHSYWDB-CQSZACIVSA-N 1 2 330.375 3.840 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1C ZINC000893345002 1040815920 /nfs/dbraw/zinc/81/59/20/1040815920.db2.gz IDFIRXFWVMLGLQ-MRXNPFEDSA-N 1 2 343.427 3.529 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1C ZINC000893345000 1040816420 /nfs/dbraw/zinc/81/64/20/1040816420.db2.gz IDFIRXFWVMLGLQ-INIZCTEOSA-N 1 2 343.427 3.529 20 0 EHADLO Cc1nc(N[C@@H]2COCc3ccccc32)c(Br)c(C)[nH+]1 ZINC000664020581 1040819859 /nfs/dbraw/zinc/81/98/59/1040819859.db2.gz FQMZYWXQHRRQHR-CYBMUJFWSA-N 1 2 334.217 3.539 20 0 EHADLO COC(=O)c1sccc1C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433130246 1040853243 /nfs/dbraw/zinc/85/32/43/1040853243.db2.gz HGBGSWVBDNUZPY-UHFFFAOYSA-N 1 2 336.482 3.679 20 0 EHADLO O=C(CCC1CCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000487268336 1040860907 /nfs/dbraw/zinc/86/09/07/1040860907.db2.gz LWRGBCZLVJYRGJ-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(CCC1CCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000487268336 1040860920 /nfs/dbraw/zinc/86/09/20/1040860920.db2.gz LWRGBCZLVJYRGJ-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3nccnc3C)cs2)cc1 ZINC000783242414 1040906600 /nfs/dbraw/zinc/90/66/00/1040906600.db2.gz DIDFYTKMCKNPOJ-CYBMUJFWSA-N 1 2 340.452 3.768 20 0 EHADLO O=C(/C=C\c1cc2ccccc2o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491184964 1040956243 /nfs/dbraw/zinc/95/62/43/1040956243.db2.gz IYXWPCKENXMKQE-HJWRWDBZSA-N 1 2 347.418 3.626 20 0 EHADLO O=C(NCc1ccc(C2CCCCC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000570905026 1040974993 /nfs/dbraw/zinc/97/49/93/1040974993.db2.gz TZVQWFMHAALRNX-UHFFFAOYSA-N 1 2 338.455 3.656 20 0 EHADLO Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)cc[nH+]1 ZINC000500301611 1040996465 /nfs/dbraw/zinc/99/64/65/1040996465.db2.gz HHEAACJZVMKLNP-UHFFFAOYSA-N 1 2 334.423 3.547 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(c4ccccc4)CC3)[nH+]c12 ZINC000586751566 1040998577 /nfs/dbraw/zinc/99/85/77/1040998577.db2.gz JQFFWZNLIYITRJ-UHFFFAOYSA-N 1 2 333.435 3.591 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(OCC(C)C)c3)[nH+]c12 ZINC000586752701 1040999148 /nfs/dbraw/zinc/99/91/48/1040999148.db2.gz RZFKZPQNURHNFT-UHFFFAOYSA-N 1 2 337.423 3.859 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc(-c4ccco4)cs3)[nH+]c12 ZINC000586751920 1040999832 /nfs/dbraw/zinc/99/98/32/1040999832.db2.gz YHJQILSGFRAPPU-UHFFFAOYSA-N 1 2 338.392 3.540 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1F ZINC000555685663 1041012490 /nfs/dbraw/zinc/01/24/90/1041012490.db2.gz FFPBJIXIWWTQSP-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1F ZINC000555685663 1041012508 /nfs/dbraw/zinc/01/25/08/1041012508.db2.gz FFPBJIXIWWTQSP-OAHLLOKOSA-N 1 2 348.805 3.571 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@H]1CF)C(c1ccccc1)c1ccccc1 ZINC000555696393 1041018605 /nfs/dbraw/zinc/01/86/05/1041018605.db2.gz BJRVNFSRROLMTA-IBGZPJMESA-N 1 2 340.442 3.668 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@H]1CF)C(c1ccccc1)c1ccccc1 ZINC000555696393 1041018619 /nfs/dbraw/zinc/01/86/19/1041018619.db2.gz BJRVNFSRROLMTA-IBGZPJMESA-N 1 2 340.442 3.668 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2cccc(Cl)c2)CCCC1 ZINC000586842461 1041036325 /nfs/dbraw/zinc/03/63/25/1041036325.db2.gz ANWSCOXDVRPYSZ-UHFFFAOYSA-N 1 2 345.874 3.945 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccccc3[C@H]1C)C2 ZINC000364377485 1041052123 /nfs/dbraw/zinc/05/21/23/1041052123.db2.gz BAHZCTWYSKWKHJ-GDBMZVCRSA-N 1 2 337.467 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccccc3[C@H]1C)CC2 ZINC000364377485 1041052139 /nfs/dbraw/zinc/05/21/39/1041052139.db2.gz BAHZCTWYSKWKHJ-GDBMZVCRSA-N 1 2 337.467 3.784 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)CN(c1[nH+]ccc3cc(F)ccc31)C[C@H](C)O2 ZINC000567748857 1041065074 /nfs/dbraw/zinc/06/50/74/1041065074.db2.gz LSFQNNRNIVGPRH-BIENJYKASA-N 1 2 330.403 3.537 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000899782317 1041108219 /nfs/dbraw/zinc/10/82/19/1041108219.db2.gz LWSCNUFAGBKQPL-OAHLLOKOSA-N 1 2 331.460 3.955 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000899782317 1041108227 /nfs/dbraw/zinc/10/82/27/1041108227.db2.gz LWSCNUFAGBKQPL-OAHLLOKOSA-N 1 2 331.460 3.955 20 0 EHADLO COCCC1(C[NH2+][C@H](Cc2ccc(C)cc2)C(=O)OC)CCCCC1 ZINC000481591500 1041117962 /nfs/dbraw/zinc/11/79/62/1041117962.db2.gz LPLVBNKOLFZUOY-LJQANCHMSA-N 1 2 347.499 3.656 20 0 EHADLO COc1cc(C[NH2+]C2(C(F)F)CCCCC2)cc2c1OCCO2 ZINC000512862826 1041124485 /nfs/dbraw/zinc/12/44/85/1041124485.db2.gz WZLMDKNJSBTQCP-UHFFFAOYSA-N 1 2 327.371 3.524 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000555793340 1041154226 /nfs/dbraw/zinc/15/42/26/1041154226.db2.gz VMPMCWYEPJKMBB-MRXNPFEDSA-N 1 2 338.879 3.642 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000555793340 1041154231 /nfs/dbraw/zinc/15/42/31/1041154231.db2.gz VMPMCWYEPJKMBB-MRXNPFEDSA-N 1 2 338.879 3.642 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(Br)c(F)c2)sn1 ZINC000660411751 1041177359 /nfs/dbraw/zinc/17/73/59/1041177359.db2.gz WPRPTHHEDZPSMD-UHFFFAOYSA-N 1 2 345.237 3.685 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(Br)c(F)c2)sn1 ZINC000660411751 1041177366 /nfs/dbraw/zinc/17/73/66/1041177366.db2.gz WPRPTHHEDZPSMD-UHFFFAOYSA-N 1 2 345.237 3.685 20 0 EHADLO CCC[C@]1(CO)CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660422269 1041222436 /nfs/dbraw/zinc/22/24/36/1041222436.db2.gz CRDLKWZKGLRHKO-CQSZACIVSA-N 1 2 347.684 3.625 20 0 EHADLO CCC[C@]1(CO)CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660422269 1041222452 /nfs/dbraw/zinc/22/24/52/1041222452.db2.gz CRDLKWZKGLRHKO-CQSZACIVSA-N 1 2 347.684 3.625 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222629 1041240116 /nfs/dbraw/zinc/24/01/16/1041240116.db2.gz HRMHCYVUZNSBEZ-STQMWFEESA-N 1 2 340.452 3.589 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000571222629 1041240132 /nfs/dbraw/zinc/24/01/32/1041240132.db2.gz HRMHCYVUZNSBEZ-STQMWFEESA-N 1 2 340.452 3.589 20 0 EHADLO COc1c(Br)cccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000481689901 1041245537 /nfs/dbraw/zinc/24/55/37/1041245537.db2.gz FFZFXQIIBZKKSE-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO COc1c(Br)cccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000481689901 1041245550 /nfs/dbraw/zinc/24/55/50/1041245550.db2.gz FFZFXQIIBZKKSE-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364417459 1041249958 /nfs/dbraw/zinc/24/99/58/1041249958.db2.gz KVHHUXKUOCLDEK-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433295970 1041250818 /nfs/dbraw/zinc/25/08/18/1041250818.db2.gz GKTFPZRNCDPEGT-INIZCTEOSA-N 1 2 349.883 3.603 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433295970 1041250830 /nfs/dbraw/zinc/25/08/30/1041250830.db2.gz GKTFPZRNCDPEGT-INIZCTEOSA-N 1 2 349.883 3.603 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000367682574 1041260167 /nfs/dbraw/zinc/26/01/67/1041260167.db2.gz GZZPNQKCGJTCCH-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000367682574 1041260179 /nfs/dbraw/zinc/26/01/79/1041260179.db2.gz GZZPNQKCGJTCCH-NWDGAFQWSA-N 1 2 334.407 3.801 20 0 EHADLO CCCCOc1ccc(OC)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571407594 1041288569 /nfs/dbraw/zinc/28/85/69/1041288569.db2.gz BWLKCTDJGOATGY-AWEZNQCLSA-N 1 2 331.416 3.660 20 0 EHADLO C[C@H](c1cccc(NC(=O)CC(C)(C)C2CC2)c1)[NH+]1CCOCC1 ZINC000555898281 1041305291 /nfs/dbraw/zinc/30/52/91/1041305291.db2.gz FRYKRMMUMZQYED-OAHLLOKOSA-N 1 2 330.472 3.845 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H]1CCCC[C@@H]1C ZINC001143553994 1041325001 /nfs/dbraw/zinc/32/50/01/1041325001.db2.gz UROPPYWUMBXIKX-VDGAXYAQSA-N 1 2 344.499 3.697 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H]1CCCC[C@@H]1C ZINC001143553994 1041325014 /nfs/dbraw/zinc/32/50/14/1041325014.db2.gz UROPPYWUMBXIKX-VDGAXYAQSA-N 1 2 344.499 3.697 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc([C@H](C)C4CC4)no3)CC2)cs1 ZINC000364456223 1041346414 /nfs/dbraw/zinc/34/64/14/1041346414.db2.gz SJFODPREGUPFII-LLVKDONJSA-N 1 2 332.473 3.728 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000512995469 1041364423 /nfs/dbraw/zinc/36/44/23/1041364423.db2.gz CSVCPNMNMNVRGI-KZNAEPCWSA-N 1 2 343.515 3.829 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1cc(F)ccc1F ZINC000052035306 1041430006 /nfs/dbraw/zinc/43/00/06/1041430006.db2.gz TXIKHWVUXNPBHI-INIZCTEOSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1cc(F)ccc1F ZINC000052035306 1041430011 /nfs/dbraw/zinc/43/00/11/1041430011.db2.gz TXIKHWVUXNPBHI-INIZCTEOSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000110082958 1041499607 /nfs/dbraw/zinc/49/96/07/1041499607.db2.gz QAJLKCXWNAYPJI-UHFFFAOYSA-N 1 2 343.818 3.539 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)O1 ZINC000660465001 1041504900 /nfs/dbraw/zinc/50/49/00/1041504900.db2.gz VAFUVUFJEMHYLF-DJIMGWMZSA-N 1 2 327.428 3.539 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)O1 ZINC000660465001 1041504905 /nfs/dbraw/zinc/50/49/05/1041504905.db2.gz VAFUVUFJEMHYLF-DJIMGWMZSA-N 1 2 327.428 3.539 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)o1 ZINC000660465001 1041504913 /nfs/dbraw/zinc/50/49/13/1041504913.db2.gz VAFUVUFJEMHYLF-DJIMGWMZSA-N 1 2 327.428 3.539 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)o1 ZINC000660465001 1041504920 /nfs/dbraw/zinc/50/49/20/1041504920.db2.gz VAFUVUFJEMHYLF-DJIMGWMZSA-N 1 2 327.428 3.539 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cs1 ZINC000111376762 1041547366 /nfs/dbraw/zinc/54/73/66/1041547366.db2.gz HOJIZQPQLBBJRK-RYUDHWBXSA-N 1 2 345.468 3.586 20 0 EHADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000106272638 1041661426 /nfs/dbraw/zinc/66/14/26/1041661426.db2.gz YFLGDXLBFWYDMG-CQSZACIVSA-N 1 2 328.460 3.625 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@@H]1C ZINC000651573796 1041706947 /nfs/dbraw/zinc/70/69/47/1041706947.db2.gz IBJGEVHDIIKHDV-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@@H]1C ZINC000651573796 1041706954 /nfs/dbraw/zinc/70/69/54/1041706954.db2.gz IBJGEVHDIIKHDV-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2sccc2OC)cc1 ZINC000511859484 1041727287 /nfs/dbraw/zinc/72/72/87/1041727287.db2.gz LQJRGSRZUHUMCF-AWEZNQCLSA-N 1 2 346.496 3.758 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2sccc2OC)cc1 ZINC000511859484 1041727295 /nfs/dbraw/zinc/72/72/95/1041727295.db2.gz LQJRGSRZUHUMCF-AWEZNQCLSA-N 1 2 346.496 3.758 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccnc1 ZINC000660638962 1041745373 /nfs/dbraw/zinc/74/53/73/1041745373.db2.gz OJMAWYJKKWUNFB-OAHLLOKOSA-N 1 2 340.254 3.633 20 0 EHADLO CCc1nc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cs1 ZINC000660684565 1041772284 /nfs/dbraw/zinc/77/22/84/1041772284.db2.gz LHBXHVSPRUDGMY-UHFFFAOYSA-N 1 2 337.439 3.696 20 0 EHADLO CCc1nc(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)cs1 ZINC000660684565 1041772287 /nfs/dbraw/zinc/77/22/87/1041772287.db2.gz LHBXHVSPRUDGMY-UHFFFAOYSA-N 1 2 337.439 3.696 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000651614058 1041789307 /nfs/dbraw/zinc/78/93/07/1041789307.db2.gz IZTGLYALBCLRDD-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000651614058 1041789315 /nfs/dbraw/zinc/78/93/15/1041789315.db2.gz IZTGLYALBCLRDD-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccco2)CC1 ZINC000661161263 1041976967 /nfs/dbraw/zinc/97/69/67/1041976967.db2.gz PAPGDWFBQPNWMD-AWEZNQCLSA-N 1 2 329.448 3.712 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000661171110 1041986154 /nfs/dbraw/zinc/98/61/54/1041986154.db2.gz KULMRBYOXTWYFY-OAQYLSRUSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000661171110 1041986157 /nfs/dbraw/zinc/98/61/57/1041986157.db2.gz KULMRBYOXTWYFY-OAQYLSRUSA-N 1 2 338.451 3.662 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000651746115 1041993476 /nfs/dbraw/zinc/99/34/76/1041993476.db2.gz HASQPXCTAJZHQJ-HNNXBMFYSA-N 1 2 338.459 3.581 20 0 EHADLO Cc1cc(CNc2ccc(C)c(S(C)(=O)=O)c2)c2c([nH+]1)CCCC2 ZINC000893435718 1042004852 /nfs/dbraw/zinc/00/48/52/1042004852.db2.gz UZOUSWRHGJAXCR-UHFFFAOYSA-N 1 2 344.480 3.593 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044933887 1042010740 /nfs/dbraw/zinc/01/07/40/1042010740.db2.gz ZYKLHBQGJVWKHF-INIZCTEOSA-N 1 2 349.434 3.821 20 0 EHADLO CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000661425047 1042114951 /nfs/dbraw/zinc/11/49/51/1042114951.db2.gz ROYDOIGDTGKWQZ-GDBMZVCRSA-N 1 2 331.485 3.697 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000661508948 1042154269 /nfs/dbraw/zinc/15/42/69/1042154269.db2.gz BTFQTAUUCVDPNM-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000661508948 1042154275 /nfs/dbraw/zinc/15/42/75/1042154275.db2.gz BTFQTAUUCVDPNM-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1nnc(C[N@@H+](C)[C@H]2CCCc3ccc(Br)cc32)o1 ZINC000661529705 1042171515 /nfs/dbraw/zinc/17/15/15/1042171515.db2.gz SFJWVTIVYRDVTF-AWEZNQCLSA-N 1 2 336.233 3.650 20 0 EHADLO Cc1nnc(C[N@H+](C)[C@H]2CCCc3ccc(Br)cc32)o1 ZINC000661529705 1042171520 /nfs/dbraw/zinc/17/15/20/1042171520.db2.gz SFJWVTIVYRDVTF-AWEZNQCLSA-N 1 2 336.233 3.650 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000066889590 1042205292 /nfs/dbraw/zinc/20/52/92/1042205292.db2.gz LOCFIFHOXYXRPR-HXUWFJFHSA-N 1 2 346.434 3.919 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(Oc2ccc(F)cc2)n1)c1nccn1C ZINC000652238654 1042283065 /nfs/dbraw/zinc/28/30/65/1042283065.db2.gz OOUVANVQBNPPIT-QGZVFWFLSA-N 1 2 340.402 3.987 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000661797549 1042335546 /nfs/dbraw/zinc/33/55/46/1042335546.db2.gz HSITUDHFKGRSQV-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1Cc1ccc(CO)cc1 ZINC000661797549 1042335555 /nfs/dbraw/zinc/33/55/55/1042335555.db2.gz HSITUDHFKGRSQV-KUHUBIRLSA-N 1 2 331.843 3.794 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Oc2ccccc2F)nc1 ZINC001126177308 1042417405 /nfs/dbraw/zinc/41/74/05/1042417405.db2.gz DTQORLKWKJUIKL-UHFFFAOYSA-N 1 2 348.337 3.913 20 0 EHADLO C/C(=C/c1ccc(Br)o1)C(=O)Nc1cccc2[nH+]ccn21 ZINC001126177273 1042417587 /nfs/dbraw/zinc/41/75/87/1042417587.db2.gz BTUJLYIEZZQQEP-KTKRTIGZSA-N 1 2 346.184 3.732 20 0 EHADLO Clc1scc(CNc2ccc(N3CCOCC3)[nH+]c2)c1Cl ZINC000432255489 1042432957 /nfs/dbraw/zinc/43/29/57/1042432957.db2.gz QANQKTVLAAXAGY-UHFFFAOYSA-N 1 2 344.267 3.899 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000661985658 1042446667 /nfs/dbraw/zinc/44/66/67/1042446667.db2.gz VNWWNQGPQJJMQF-ZDUSSCGKSA-N 1 2 347.846 3.924 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000661985658 1042446669 /nfs/dbraw/zinc/44/66/69/1042446669.db2.gz VNWWNQGPQJJMQF-ZDUSSCGKSA-N 1 2 347.846 3.924 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997077 1042452501 /nfs/dbraw/zinc/45/25/01/1042452501.db2.gz JKQMKSSSXVEPKN-CQSZACIVSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997077 1042452503 /nfs/dbraw/zinc/45/25/03/1042452503.db2.gz JKQMKSSSXVEPKN-CQSZACIVSA-N 1 2 339.439 3.689 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043114 1042476440 /nfs/dbraw/zinc/47/64/40/1042476440.db2.gz HFMQFPXTOGFJGV-UHFFFAOYSA-N 1 2 327.428 3.616 20 0 EHADLO c1cc(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)no1 ZINC000662046426 1042479649 /nfs/dbraw/zinc/47/96/49/1042479649.db2.gz DWWDKWBJSZJSLA-UHFFFAOYSA-N 1 2 326.425 3.573 20 0 EHADLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652462885 1042488970 /nfs/dbraw/zinc/48/89/70/1042488970.db2.gz AKADMEWMBUGLHG-GOSISDBHSA-N 1 2 337.467 3.557 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000184385140 1042496995 /nfs/dbraw/zinc/49/69/95/1042496995.db2.gz IOSJIVQLWTZIEE-CABCVRRESA-N 1 2 345.512 3.870 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](CCS(C)(=O)=O)C3CC3)s2)cc1 ZINC000093816570 1042544143 /nfs/dbraw/zinc/54/41/43/1042544143.db2.gz JNYRNSPSAVKEBT-UHFFFAOYSA-N 1 2 349.521 3.733 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](CCS(C)(=O)=O)C3CC3)s2)cc1 ZINC000093816570 1042544150 /nfs/dbraw/zinc/54/41/50/1042544150.db2.gz JNYRNSPSAVKEBT-UHFFFAOYSA-N 1 2 349.521 3.733 20 0 EHADLO Cc1cc(Cl)cc(Cl)c1CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001167792341 1042598553 /nfs/dbraw/zinc/59/85/53/1042598553.db2.gz CIGFMGFZIGFHLP-UHFFFAOYSA-N 1 2 338.194 3.640 20 0 EHADLO CCc1nnc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000662217357 1042610502 /nfs/dbraw/zinc/61/05/02/1042610502.db2.gz YNKPQHPCZBEHFJ-UHFFFAOYSA-N 1 2 327.453 3.541 20 0 EHADLO CC(C)O[C@H](C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227714 1042617427 /nfs/dbraw/zinc/61/74/27/1042617427.db2.gz PYLZOTRQRPRERE-JKSUJKDBSA-N 1 2 331.378 3.806 20 0 EHADLO CC(C)O[C@H](C[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000662227714 1042617430 /nfs/dbraw/zinc/61/74/30/1042617430.db2.gz PYLZOTRQRPRERE-JKSUJKDBSA-N 1 2 331.378 3.806 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000043150441 1042635826 /nfs/dbraw/zinc/63/58/26/1042635826.db2.gz FVPROLXYSAHMJU-UHFFFAOYSA-N 1 2 338.455 3.929 20 0 EHADLO COC(=O)c1[nH+]ccc(NCc2c(C)cc(Cl)cc2Cl)c1C ZINC001167794956 1042641427 /nfs/dbraw/zinc/64/14/27/1042641427.db2.gz BIPGFUNEJQAGEH-UHFFFAOYSA-N 1 2 339.222 3.826 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000602066017 1042662257 /nfs/dbraw/zinc/66/22/57/1042662257.db2.gz NBLXHNOPGQNHKZ-GOSISDBHSA-N 1 2 342.508 3.661 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000221959551 1042749999 /nfs/dbraw/zinc/74/99/99/1042749999.db2.gz YWDPVNSJKSOCMF-PLNGDYQASA-N 1 2 340.854 3.811 20 0 EHADLO CCc1nc(CCNc2nc(C)[nH+]c(C)c2Br)cs1 ZINC000663526495 1042974464 /nfs/dbraw/zinc/97/44/64/1042974464.db2.gz SPIAEFFIMWGJMK-UHFFFAOYSA-N 1 2 341.278 3.529 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000348552545 1043004058 /nfs/dbraw/zinc/00/40/58/1043004058.db2.gz LYPYHAOBJGXCIN-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000348552545 1043004063 /nfs/dbraw/zinc/00/40/63/1043004063.db2.gz LYPYHAOBJGXCIN-LBPRGKRZSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1nc2sc3c(c2c(NCCc2cn4ccccc4[nH+]2)n1)CCC3 ZINC000344083597 1043222315 /nfs/dbraw/zinc/22/23/15/1043222315.db2.gz JTPFBFWFWHEDFK-UHFFFAOYSA-N 1 2 349.463 3.791 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1csc(C)n1)CCC2 ZINC000618565165 1043446959 /nfs/dbraw/zinc/44/69/59/1043446959.db2.gz DUDYTMVRSPAXRB-ZDUSSCGKSA-N 1 2 334.441 3.697 20 0 EHADLO Cc1nc(CNc2nc(C)[nH+]c(C)c2Br)sc1C ZINC000663673767 1043471013 /nfs/dbraw/zinc/47/10/13/1043471013.db2.gz CEZBPUWXCWCNPG-UHFFFAOYSA-N 1 2 327.251 3.541 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)nc1N(C)C ZINC000728895849 1043497398 /nfs/dbraw/zinc/49/73/98/1043497398.db2.gz CKZJFBUQNQTFAC-KGLIPLIRSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)nc1N(C)C ZINC000728895849 1043497403 /nfs/dbraw/zinc/49/74/03/1043497403.db2.gz CKZJFBUQNQTFAC-KGLIPLIRSA-N 1 2 325.526 3.529 20 0 EHADLO O=C(Nc1ccc(-c2cncnc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344326391 1043655408 /nfs/dbraw/zinc/65/54/08/1043655408.db2.gz QPLISDVLVOVYCM-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CSc1nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c2ccccn21 ZINC000162834970 1043799301 /nfs/dbraw/zinc/79/93/01/1043799301.db2.gz HUBNFLFAGRSEHL-UHFFFAOYSA-N 1 2 349.419 3.699 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000613977561 1043826315 /nfs/dbraw/zinc/82/63/15/1043826315.db2.gz VHSFYSBVHBSPAA-RKDXNWHRSA-N 1 2 328.174 3.608 20 0 EHADLO CCc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)nnc1-c1ccccc1 ZINC000663740514 1043883143 /nfs/dbraw/zinc/88/31/43/1043883143.db2.gz FKPLKMINYHYUBQ-SFHVURJKSA-N 1 2 345.450 3.792 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c(C)n1 ZINC000279470034 1044112936 /nfs/dbraw/zinc/11/29/36/1044112936.db2.gz JVZOHLVLICJKMF-VXNVDRBHSA-N 1 2 330.379 3.981 20 0 EHADLO CCOc1ccccc1C1=CC[N@H+](Cc2occc2C(=O)OC)CC1 ZINC000344559977 1044129322 /nfs/dbraw/zinc/12/93/22/1044129322.db2.gz QHHIVTYJJKELJD-UHFFFAOYSA-N 1 2 341.407 3.754 20 0 EHADLO CCOc1ccccc1C1=CC[N@@H+](Cc2occc2C(=O)OC)CC1 ZINC000344559977 1044129330 /nfs/dbraw/zinc/12/93/30/1044129330.db2.gz QHHIVTYJJKELJD-UHFFFAOYSA-N 1 2 341.407 3.754 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000512210009 1044160884 /nfs/dbraw/zinc/16/08/84/1044160884.db2.gz SRWZAMTYAZQKIQ-NSHDSACASA-N 1 2 338.776 3.919 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279539536 1044197866 /nfs/dbraw/zinc/19/78/66/1044197866.db2.gz PYGCDNRVLAIQFN-KGLIPLIRSA-N 1 2 337.427 3.596 20 0 EHADLO Cc1ccc(NCc2cc(Br)c3c(c2)OCCO3)c(C)[nH+]1 ZINC000094663992 1044339555 /nfs/dbraw/zinc/33/95/55/1044339555.db2.gz RDZAYPRADRENNC-UHFFFAOYSA-N 1 2 349.228 3.844 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279648227 1044363692 /nfs/dbraw/zinc/36/36/92/1044363692.db2.gz BIXREQMVIMHJCL-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279648227 1044363706 /nfs/dbraw/zinc/36/37/06/1044363706.db2.gz BIXREQMVIMHJCL-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279742091 1044503977 /nfs/dbraw/zinc/50/39/77/1044503977.db2.gz KQBWAWRLATZTCD-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279742091 1044503989 /nfs/dbraw/zinc/50/39/89/1044503989.db2.gz KQBWAWRLATZTCD-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279815007 1044696949 /nfs/dbraw/zinc/69/69/49/1044696949.db2.gz QFDABCYQVOGMIC-AXHMDWHKSA-N 1 2 342.439 3.671 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279815007 1044696955 /nfs/dbraw/zinc/69/69/55/1044696955.db2.gz QFDABCYQVOGMIC-AXHMDWHKSA-N 1 2 342.439 3.671 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3nccs3)CC2)s1 ZINC000279873254 1044786207 /nfs/dbraw/zinc/78/62/07/1044786207.db2.gz QWXFASVIFPYWNF-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3nccs3)CC2)s1 ZINC000279873254 1044786225 /nfs/dbraw/zinc/78/62/25/1044786225.db2.gz QWXFASVIFPYWNF-UHFFFAOYSA-N 1 2 336.530 3.609 20 0 EHADLO Cc1cc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)ccn1 ZINC000432689032 1044857430 /nfs/dbraw/zinc/85/74/30/1044857430.db2.gz FVTKBJHMQQLTGT-DAXSKMNVSA-N 1 2 329.363 3.796 20 0 EHADLO C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000620371091 1125558211 /nfs/dbraw/zinc/55/82/11/1125558211.db2.gz NRZVSUDITLJLKG-MRXNPFEDSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000620409615 1125566399 /nfs/dbraw/zinc/56/63/99/1125566399.db2.gz DISDLPYKLFHPIS-LLVKDONJSA-N 1 2 326.227 3.848 20 0 EHADLO Oc1c(Br)cc(Br)cc1C[NH+]1CCCC1 ZINC000183453717 1125567704 /nfs/dbraw/zinc/56/77/04/1125567704.db2.gz XPZPVMRQEWIBPO-UHFFFAOYSA-N 1 2 335.039 3.513 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(CCC1CC1)CC1CC1 ZINC000620630964 1125617199 /nfs/dbraw/zinc/61/71/99/1125617199.db2.gz BZLMLNZMKFJACE-IBGZPJMESA-N 1 2 337.467 3.970 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000153952526 1125678225 /nfs/dbraw/zinc/67/82/25/1125678225.db2.gz OYCPJLYDOVRDIR-IBGZPJMESA-N 1 2 343.430 3.702 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000154474852 1125720777 /nfs/dbraw/zinc/72/07/77/1125720777.db2.gz OVQAHHPZUKRLPS-IIDMSEBBSA-N 1 2 344.434 3.684 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000155037397 1125777917 /nfs/dbraw/zinc/77/79/17/1125777917.db2.gz WJHIZBYMJKXFBQ-QGZVFWFLSA-N 1 2 343.471 3.631 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000622493350 1126710518 /nfs/dbraw/zinc/71/05/18/1126710518.db2.gz VOZYDMYBNXJETP-NWDGAFQWSA-N 1 2 346.500 3.835 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000622493350 1126710520 /nfs/dbraw/zinc/71/05/20/1126710520.db2.gz VOZYDMYBNXJETP-NWDGAFQWSA-N 1 2 346.500 3.835 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973707 1126729977 /nfs/dbraw/zinc/72/99/77/1126729977.db2.gz UZLCFICIPCXEOU-CJNGLKHVSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000184973707 1126729980 /nfs/dbraw/zinc/72/99/80/1126729980.db2.gz UZLCFICIPCXEOU-CJNGLKHVSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC1 ZINC000622615113 1126735662 /nfs/dbraw/zinc/73/56/62/1126735662.db2.gz HJVOEXSKIGWCCP-SFHVURJKSA-N 1 2 334.891 3.809 20 0 EHADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC1 ZINC000622615113 1126735666 /nfs/dbraw/zinc/73/56/66/1126735666.db2.gz HJVOEXSKIGWCCP-SFHVURJKSA-N 1 2 334.891 3.809 20 0 EHADLO CC(C)COc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000171235951 1126757073 /nfs/dbraw/zinc/75/70/73/1126757073.db2.gz ASAZHROJVLZZAO-HXUWFJFHSA-N 1 2 340.467 3.641 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1OC ZINC000173373924 1126830092 /nfs/dbraw/zinc/83/00/92/1126830092.db2.gz SWUIKQTWOKGYAA-ZDUSSCGKSA-N 1 2 337.423 3.806 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccc(O)c1 ZINC000342916331 1126872967 /nfs/dbraw/zinc/87/29/67/1126872967.db2.gz HXEMVXAGUBVGCI-ZDUSSCGKSA-N 1 2 331.379 3.694 20 0 EHADLO CCCCOc1ccc([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1 ZINC000671299633 1126881583 /nfs/dbraw/zinc/88/15/83/1126881583.db2.gz RRAHHSPAADFXCC-INIZCTEOSA-N 1 2 343.471 3.862 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1=O ZINC000623232112 1126899438 /nfs/dbraw/zinc/89/94/38/1126899438.db2.gz VBCOJRBDEOXNKL-AEFFLSMTSA-N 1 2 342.439 3.666 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)c(F)c1 ZINC000623234620 1126900463 /nfs/dbraw/zinc/90/04/63/1126900463.db2.gz PWHZAMOTWXVODE-APPDUMDISA-N 1 2 332.806 3.843 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000623237432 1126901742 /nfs/dbraw/zinc/90/17/42/1126901742.db2.gz KTEYACKGRPHOCM-UHFFFAOYSA-N 1 2 335.407 3.881 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCCn1cc[nH+]c1 ZINC000623245871 1126905105 /nfs/dbraw/zinc/90/51/05/1126905105.db2.gz PCVBPWVDYTUFFK-UHFFFAOYSA-N 1 2 341.499 3.937 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623259164 1126907264 /nfs/dbraw/zinc/90/72/64/1126907264.db2.gz SVYZUSJXWKYYAG-GLEGPSONSA-N 1 2 329.488 3.557 20 0 EHADLO C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC000623275574 1126908183 /nfs/dbraw/zinc/90/81/83/1126908183.db2.gz PAUSSQYXVPOEKA-MRXNPFEDSA-N 1 2 343.471 3.545 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)sc1-c1ccccc1 ZINC000623297498 1126910379 /nfs/dbraw/zinc/91/03/79/1126910379.db2.gz GJIAUGJYLKXJRH-OAHLLOKOSA-N 1 2 337.448 3.665 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301096 1126910620 /nfs/dbraw/zinc/91/06/20/1126910620.db2.gz DTVLEAWYWUJBON-OFLPRAFFSA-N 1 2 331.504 3.947 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000192547074 1126918214 /nfs/dbraw/zinc/91/82/14/1126918214.db2.gz BFSNIMYNOMVVDE-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000192547074 1126918216 /nfs/dbraw/zinc/91/82/16/1126918216.db2.gz BFSNIMYNOMVVDE-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000192622679 1126924655 /nfs/dbraw/zinc/92/46/55/1126924655.db2.gz ODVFGBIMFFFENF-LLVKDONJSA-N 1 2 341.333 3.582 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000192622679 1126924657 /nfs/dbraw/zinc/92/46/57/1126924657.db2.gz ODVFGBIMFFFENF-LLVKDONJSA-N 1 2 341.333 3.582 20 0 EHADLO COc1ccc(C2CC[NH+](Cn3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000072916361 1126926125 /nfs/dbraw/zinc/92/61/25/1126926125.db2.gz ASLHOBMCBXZIRS-UHFFFAOYSA-N 1 2 339.361 3.748 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918377 1126934051 /nfs/dbraw/zinc/93/40/51/1126934051.db2.gz RTROTQJDJHCKEF-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918377 1126934052 /nfs/dbraw/zinc/93/40/52/1126934052.db2.gz RTROTQJDJHCKEF-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918651 1126934247 /nfs/dbraw/zinc/93/42/47/1126934247.db2.gz ULDPQIOVIYZJEH-UKRRQHHQSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000072918651 1126934249 /nfs/dbraw/zinc/93/42/49/1126934249.db2.gz ULDPQIOVIYZJEH-UKRRQHHQSA-N 1 2 343.500 3.889 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918393 1126934468 /nfs/dbraw/zinc/93/44/68/1126934468.db2.gz ZINUXUQJVUMRGZ-KGLIPLIRSA-N 1 2 332.473 3.938 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918393 1126934470 /nfs/dbraw/zinc/93/44/70/1126934470.db2.gz ZINUXUQJVUMRGZ-KGLIPLIRSA-N 1 2 332.473 3.938 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422225 1126950972 /nfs/dbraw/zinc/95/09/72/1126950972.db2.gz NKQLVEBYPSDARB-FXAWDEMLSA-N 1 2 329.532 3.674 20 0 EHADLO Fc1ccc(F)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1Cl ZINC000623595130 1126993098 /nfs/dbraw/zinc/99/30/98/1126993098.db2.gz YJUVQCLCUKLAOH-LLVKDONJSA-N 1 2 339.695 3.708 20 0 EHADLO C/C=C/C[C@@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623688079 1127022571 /nfs/dbraw/zinc/02/25/71/1127022571.db2.gz ZOEDNAZTGWCPFN-REMYHPOOSA-N 1 2 340.471 3.573 20 0 EHADLO CC(C)Oc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)c(Cl)c1 ZINC000351259021 1127164404 /nfs/dbraw/zinc/16/44/04/1127164404.db2.gz DEFVWMYFJNPKGI-UHFFFAOYSA-N 1 2 332.791 3.502 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774076 1127186338 /nfs/dbraw/zinc/18/63/38/1127186338.db2.gz OOHXWIPIKIZEQY-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774076 1127186341 /nfs/dbraw/zinc/18/63/41/1127186341.db2.gz OOHXWIPIKIZEQY-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO CC(C)CCOC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623867986 1127206405 /nfs/dbraw/zinc/20/64/05/1127206405.db2.gz QBHVEIKHHXMPBF-UHFFFAOYSA-N 1 2 338.455 3.914 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)n1 ZINC000623921325 1127217150 /nfs/dbraw/zinc/21/71/50/1127217150.db2.gz SIYULKMGMBCTHH-MFKMUULPSA-N 1 2 341.274 3.598 20 0 EHADLO c1cn2c(n1)[C@@H]([NH2+][C@@H]1CCCc3scnc31)CCc1ccccc1-2 ZINC000624017249 1127233942 /nfs/dbraw/zinc/23/39/42/1127233942.db2.gz UUWHUEOHIHYHJW-CABCVRRESA-N 1 2 336.464 3.983 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181227040 1127271011 /nfs/dbraw/zinc/27/10/11/1127271011.db2.gz XIMBSUFKKSDZHA-QFBILLFUSA-N 1 2 349.434 3.994 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000181376817 1127274885 /nfs/dbraw/zinc/27/48/85/1127274885.db2.gz QXGNQIRKHZJDST-QGZVFWFLSA-N 1 2 333.476 3.641 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000181490480 1127279181 /nfs/dbraw/zinc/27/91/81/1127279181.db2.gz VBZRILYKRLJCFY-LJQANCHMSA-N 1 2 329.419 3.905 20 0 EHADLO CCc1cnccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182525794 1127335187 /nfs/dbraw/zinc/33/51/87/1127335187.db2.gz MOXWPGBQMITWFB-UHFFFAOYSA-N 1 2 326.787 3.735 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1c(F)cc(Cl)cc1F ZINC000182789036 1127347692 /nfs/dbraw/zinc/34/76/92/1127347692.db2.gz CMRAXFHUOUPIOB-UHFFFAOYSA-N 1 2 340.761 3.637 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(OC(F)F)c1 ZINC000183124052 1127364092 /nfs/dbraw/zinc/36/40/92/1127364092.db2.gz JUVLYFFIZPUAOI-LBPRGKRZSA-N 1 2 339.386 3.661 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000183117535 1127363274 /nfs/dbraw/zinc/36/32/74/1127363274.db2.gz CCGKZVOTWZPMEQ-NYHFZMIOSA-N 1 2 330.478 3.506 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000183576291 1127380779 /nfs/dbraw/zinc/38/07/79/1127380779.db2.gz MGHYFFWNBKMIGH-OAHLLOKOSA-N 1 2 339.443 3.695 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000183791895 1127386895 /nfs/dbraw/zinc/38/68/95/1127386895.db2.gz HZQFDFVTEFFMLO-OAQYLSRUSA-N 1 2 328.419 3.917 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2ccccn21)c1cc2cc(Cl)ccc2o1 ZINC000183815003 1127387757 /nfs/dbraw/zinc/38/77/57/1127387757.db2.gz XIKVHOUIUYBDEC-NSHDSACASA-N 1 2 326.787 3.980 20 0 EHADLO COc1cccc(-c2nc(C[NH2+][C@H](CO)c3ccccc3)cs2)c1 ZINC000183639720 1127383148 /nfs/dbraw/zinc/38/31/48/1127383148.db2.gz RHRWFJUBDVKANH-GOSISDBHSA-N 1 2 340.448 3.642 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184481656 1127406093 /nfs/dbraw/zinc/40/60/93/1127406093.db2.gz RLPRJWCKGOXLNF-AWEZNQCLSA-N 1 2 345.512 3.716 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccccc2C(C)C)o1 ZINC000184800439 1127413868 /nfs/dbraw/zinc/41/38/68/1127413868.db2.gz SQMOYZCJAQNMAV-SFHVURJKSA-N 1 2 344.455 3.881 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)n1 ZINC000184977685 1127417231 /nfs/dbraw/zinc/41/72/31/1127417231.db2.gz KHCPVGWDWISERO-UKRRQHHQSA-N 1 2 343.452 3.912 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000185018519 1127418860 /nfs/dbraw/zinc/41/88/60/1127418860.db2.gz CRYVOALKRADZFB-YOEHRIQHSA-N 1 2 343.496 3.638 20 0 EHADLO CCCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000654465146 1127453085 /nfs/dbraw/zinc/45/30/85/1127453085.db2.gz MMWRZUQJTKLREC-KRWDZBQOSA-N 1 2 328.460 3.534 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000764765210 1127531013 /nfs/dbraw/zinc/53/10/13/1127531013.db2.gz AQEIIHQLWDLMOS-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000350682381 1127583334 /nfs/dbraw/zinc/58/33/34/1127583334.db2.gz PFTRJVXWJSLFNQ-QWRGUYRKSA-N 1 2 341.308 3.929 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)CSc2ccccc2)c(N(C)C)[nH+]1 ZINC000749997421 1127595875 /nfs/dbraw/zinc/59/58/75/1127595875.db2.gz ZSHGCNRVFWOFJY-ZDUSSCGKSA-N 1 2 329.469 3.823 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1F ZINC000654608206 1127596177 /nfs/dbraw/zinc/59/61/77/1127596177.db2.gz MHZLWTKOQSIGJR-MRXNPFEDSA-N 1 2 330.407 3.589 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1F ZINC000654608206 1127596182 /nfs/dbraw/zinc/59/61/82/1127596182.db2.gz MHZLWTKOQSIGJR-MRXNPFEDSA-N 1 2 330.407 3.589 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015295625 1127651836 /nfs/dbraw/zinc/65/18/36/1127651836.db2.gz HQPLWHOMXJPHCM-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015295625 1127651837 /nfs/dbraw/zinc/65/18/37/1127651837.db2.gz HQPLWHOMXJPHCM-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000015296373 1127651843 /nfs/dbraw/zinc/65/18/43/1127651843.db2.gz REVINMABSWAMQK-LJQANCHMSA-N 1 2 340.467 3.785 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000015296373 1127651845 /nfs/dbraw/zinc/65/18/45/1127651845.db2.gz REVINMABSWAMQK-LJQANCHMSA-N 1 2 340.467 3.785 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1N1CCCC1 ZINC000015573822 1127655619 /nfs/dbraw/zinc/65/56/19/1127655619.db2.gz RCRBWTZCNZNLGB-UHFFFAOYSA-N 1 2 348.450 3.969 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1N1CCCC1 ZINC000015573822 1127655620 /nfs/dbraw/zinc/65/56/20/1127655620.db2.gz RCRBWTZCNZNLGB-UHFFFAOYSA-N 1 2 348.450 3.969 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000016420929 1127662137 /nfs/dbraw/zinc/66/21/37/1127662137.db2.gz WPHIAPPFJKPYMY-ZDUSSCGKSA-N 1 2 344.505 3.806 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000016420929 1127662140 /nfs/dbraw/zinc/66/21/40/1127662140.db2.gz WPHIAPPFJKPYMY-ZDUSSCGKSA-N 1 2 344.505 3.806 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccccc2OCC(F)(F)F)c1Cl ZINC000921579241 1127752917 /nfs/dbraw/zinc/75/29/17/1127752917.db2.gz RQNZQUZFAUQXPB-UHFFFAOYSA-N 1 2 347.768 3.613 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000671659862 1127766451 /nfs/dbraw/zinc/76/64/51/1127766451.db2.gz PUILHXDTQKABDN-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000671659862 1127766452 /nfs/dbraw/zinc/76/64/52/1127766452.db2.gz PUILHXDTQKABDN-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3cccc(F)c3)o2)cc1 ZINC000027348897 1127779761 /nfs/dbraw/zinc/77/97/61/1127779761.db2.gz KYQSKBGKPHJCEC-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3cccc(F)c3)o2)cc1 ZINC000027348897 1127779764 /nfs/dbraw/zinc/77/97/64/1127779764.db2.gz KYQSKBGKPHJCEC-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@H](C)c2cccs2)c1)[NH+]1CCOCC1 ZINC000265578844 1127784193 /nfs/dbraw/zinc/78/41/93/1127784193.db2.gz WZFHFPGKXRWHKC-HUUCEWRRSA-N 1 2 344.480 3.884 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000671665634 1127785844 /nfs/dbraw/zinc/78/58/44/1127785844.db2.gz OPVVFUQJURPVDB-UHFFFAOYSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028682553 1127790568 /nfs/dbraw/zinc/79/05/68/1127790568.db2.gz QUULMTNXADEUKV-ZDUSSCGKSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028682553 1127790571 /nfs/dbraw/zinc/79/05/71/1127790571.db2.gz QUULMTNXADEUKV-ZDUSSCGKSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cc(C)cc(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000029907961 1127811059 /nfs/dbraw/zinc/81/10/59/1127811059.db2.gz KTSGGIGYDWWINO-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 ZINC000030019567 1127814183 /nfs/dbraw/zinc/81/41/83/1127814183.db2.gz QJXSCGGZAANLQB-UHFFFAOYSA-N 1 2 346.833 3.746 20 0 EHADLO O=C(NC[C@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030691454 1127823299 /nfs/dbraw/zinc/82/32/99/1127823299.db2.gz VICBGTBKKHVICV-GOSISDBHSA-N 1 2 331.419 3.722 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)oc1C ZINC000338586021 1127866106 /nfs/dbraw/zinc/86/61/06/1127866106.db2.gz CBOFBRJKASGVSO-SFHVURJKSA-N 1 2 335.350 3.584 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)oc1C ZINC000338586021 1127866108 /nfs/dbraw/zinc/86/61/08/1127866108.db2.gz CBOFBRJKASGVSO-SFHVURJKSA-N 1 2 335.350 3.584 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000041178745 1127873798 /nfs/dbraw/zinc/87/37/98/1127873798.db2.gz LXKLBRIYNOSUFU-WBVHZDCISA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CCC(F)(F)F ZINC000104677486 1127891947 /nfs/dbraw/zinc/89/19/47/1127891947.db2.gz ZLGYCTBZFYHMSU-STQMWFEESA-N 1 2 328.378 3.627 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CCC(F)(F)F ZINC000104677486 1127891951 /nfs/dbraw/zinc/89/19/51/1127891951.db2.gz ZLGYCTBZFYHMSU-STQMWFEESA-N 1 2 328.378 3.627 20 0 EHADLO Cc1cccc(COc2cccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)c2)c1 ZINC000042533624 1127893594 /nfs/dbraw/zinc/89/35/94/1127893594.db2.gz PZLNNXKKABLKPZ-QGZVFWFLSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)c1 ZINC000043143130 1127912764 /nfs/dbraw/zinc/91/27/64/1127912764.db2.gz YOXUZTVQRHOTDR-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CC(C)CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000043500180 1127920722 /nfs/dbraw/zinc/92/07/22/1127920722.db2.gz XOIONZGVIBVFEL-UHFFFAOYSA-N 1 2 336.505 3.781 20 0 EHADLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1C(F)(F)F ZINC000044089071 1127932271 /nfs/dbraw/zinc/93/22/71/1127932271.db2.gz SXGMTPHKPKZUEL-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1C(F)(F)F ZINC000044089071 1127932272 /nfs/dbraw/zinc/93/22/72/1127932272.db2.gz SXGMTPHKPKZUEL-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000265664915 1127936510 /nfs/dbraw/zinc/93/65/10/1127936510.db2.gz YCMWZUCNNVITLH-ZDUSSCGKSA-N 1 2 331.847 3.747 20 0 EHADLO O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105384 1127969067 /nfs/dbraw/zinc/96/90/67/1127969067.db2.gz SODMCMFJNQBUTN-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000046341562 1127976457 /nfs/dbraw/zinc/97/64/57/1127976457.db2.gz GKUXWWZSJPGTQN-BBWFWOEESA-N 1 2 328.456 3.591 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000046341562 1127976460 /nfs/dbraw/zinc/97/64/60/1127976460.db2.gz GKUXWWZSJPGTQN-BBWFWOEESA-N 1 2 328.456 3.591 20 0 EHADLO Cc1cccc(C(F)(F)F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360592 1127980439 /nfs/dbraw/zinc/98/04/39/1127980439.db2.gz XXLHIUBSAPULJU-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO Clc1cc2cccnc2c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000046503723 1127980723 /nfs/dbraw/zinc/98/07/23/1127980723.db2.gz AJRXQFZNTHBUNO-UHFFFAOYSA-N 1 2 341.842 3.799 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000047027374 1127998937 /nfs/dbraw/zinc/99/89/37/1127998937.db2.gz SICGLPZRSMGWNC-KDOFPFPSSA-N 1 2 344.434 3.641 20 0 EHADLO Nc1cc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC001212362920 1128006076 /nfs/dbraw/zinc/00/60/76/1128006076.db2.gz UZDXVWYVDJHAFK-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376194 1128045879 /nfs/dbraw/zinc/04/58/79/1128045879.db2.gz VABLFETVOASZGN-MRXNPFEDSA-N 1 2 344.459 3.511 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1OC1CCCC1 ZINC000282189801 1128048150 /nfs/dbraw/zinc/04/81/50/1128048150.db2.gz NIJQKBHHBDUGIS-HNNXBMFYSA-N 1 2 343.471 3.909 20 0 EHADLO Nc1ccccc1N(c1ccc[nH+]c1N1CCOCC1)C1CCCC1 ZINC001212369185 1128060114 /nfs/dbraw/zinc/06/01/14/1128060114.db2.gz VOPAGVAMMCYPSD-UHFFFAOYSA-N 1 2 338.455 3.581 20 0 EHADLO O=C(Nc1ccc2ncccc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058329385 1128066744 /nfs/dbraw/zinc/06/67/44/1128066744.db2.gz XPFJYTHZXKTTCE-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccc(F)cc2)c1C ZINC000058958744 1128086402 /nfs/dbraw/zinc/08/64/02/1128086402.db2.gz QANGHDWPSJGTHG-JXMROGBWSA-N 1 2 328.387 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CCC(C)CC2)c1C ZINC000060559876 1128106955 /nfs/dbraw/zinc/10/69/55/1128106955.db2.gz BRXPNOKWVWLKBC-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060613632 1128110391 /nfs/dbraw/zinc/11/03/91/1128110391.db2.gz ZCXHJCWERQGZJI-UHFFFAOYSA-N 1 2 345.446 3.783 20 0 EHADLO c1csc(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000060942562 1128116670 /nfs/dbraw/zinc/11/66/70/1128116670.db2.gz GAQTWXUJMKZUMB-UHFFFAOYSA-N 1 2 329.494 3.676 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[nH]c2c1 ZINC000063109437 1128139051 /nfs/dbraw/zinc/13/90/51/1128139051.db2.gz IWCBCBNKLQMJPB-UHFFFAOYSA-N 1 2 348.381 3.731 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1C ZINC000352097261 1128145423 /nfs/dbraw/zinc/14/54/23/1128145423.db2.gz QDTDJXGHLKONIE-OLZOCXBDSA-N 1 2 344.377 3.644 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccco1 ZINC000347618701 1128147880 /nfs/dbraw/zinc/14/78/80/1128147880.db2.gz XOMRKXCCRJEHRP-CVEARBPZSA-N 1 2 330.428 3.509 20 0 EHADLO COC(=O)c1occc1C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064631723 1128172039 /nfs/dbraw/zinc/17/20/39/1128172039.db2.gz ACYBYQBPVVOCHG-UHFFFAOYSA-N 1 2 343.423 3.726 20 0 EHADLO O=C(CC1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067680619 1128246817 /nfs/dbraw/zinc/24/68/17/1128246817.db2.gz NYSPMKATBQNQGX-UHFFFAOYSA-N 1 2 327.428 3.871 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCc4c(C)ccc(F)c43)[nH+]c12 ZINC000068144648 1128260578 /nfs/dbraw/zinc/26/05/78/1128260578.db2.gz PEMNWBFTNAGUBO-UHFFFAOYSA-N 1 2 337.398 3.612 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(-n2cccc2)c1 ZINC000065737836 1128200246 /nfs/dbraw/zinc/20/02/46/1128200246.db2.gz POGIZLMQKKTIEH-UHFFFAOYSA-N 1 2 342.402 3.593 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000068408479 1128265963 /nfs/dbraw/zinc/26/59/63/1128265963.db2.gz MPLTZBZJIHQVFV-CQSZACIVSA-N 1 2 334.851 3.545 20 0 EHADLO CC(C)(CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000067161458 1128235951 /nfs/dbraw/zinc/23/59/51/1128235951.db2.gz DPGUVZLOKBLQPU-UHFFFAOYSA-N 1 2 347.462 3.916 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000072979117 1128312195 /nfs/dbraw/zinc/31/21/95/1128312195.db2.gz YEWVDPKAMFUSLS-LAUBAEHRSA-N 1 2 339.483 3.846 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000073488514 1128323384 /nfs/dbraw/zinc/32/33/84/1128323384.db2.gz OVIVSVKKPKGMPD-UHFFFAOYSA-N 1 2 334.404 3.799 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074179677 1128336357 /nfs/dbraw/zinc/33/63/57/1128336357.db2.gz MKNQMEMFGBSLRB-HOTGVXAUSA-N 1 2 343.496 3.927 20 0 EHADLO COC1CCC(Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC001168605255 1128342817 /nfs/dbraw/zinc/34/28/17/1128342817.db2.gz KTJOEHRFPWUEER-UHFFFAOYSA-N 1 2 349.438 3.699 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000671784788 1128352352 /nfs/dbraw/zinc/35/23/52/1128352352.db2.gz YHKPMTAYEARPMY-GFCCVEGCSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000671784788 1128352356 /nfs/dbraw/zinc/35/23/56/1128352356.db2.gz YHKPMTAYEARPMY-GFCCVEGCSA-N 1 2 340.370 3.683 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168614229 1128387724 /nfs/dbraw/zinc/38/77/24/1128387724.db2.gz LELBCNPZTCUWNT-IEBWSBKVSA-N 1 2 349.471 3.628 20 0 EHADLO Cc1cc(C(F)F)oc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000624552329 1128392391 /nfs/dbraw/zinc/39/23/91/1128392391.db2.gz CUJIELHJBUENKE-ZYHUDNBSSA-N 1 2 339.342 3.501 20 0 EHADLO Cc1cc(C(F)F)oc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000624552329 1128392396 /nfs/dbraw/zinc/39/23/96/1128392396.db2.gz CUJIELHJBUENKE-ZYHUDNBSSA-N 1 2 339.342 3.501 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@]3(C)Br)cc2)[nH+]c1C ZINC000921668622 1128448451 /nfs/dbraw/zinc/44/84/51/1128448451.db2.gz HUPOIBMASFDTSV-CJNGLKHVSA-N 1 2 348.244 3.806 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C)c1sccc1Br)c1nncn1C ZINC000903062499 1128454258 /nfs/dbraw/zinc/45/42/58/1128454258.db2.gz UVYBEMYUOXXNAQ-MWLCHTKSSA-N 1 2 343.294 3.687 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3Cl)o2)ccn1 ZINC000347632066 1128462122 /nfs/dbraw/zinc/46/21/22/1128462122.db2.gz BHRSLWJPGZOTFL-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO CCCCCCNC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000061025007 1128465216 /nfs/dbraw/zinc/46/52/16/1128465216.db2.gz SAWUYMFOQXSOJA-UHFFFAOYSA-N 1 2 347.322 3.639 20 0 EHADLO CCCCCCNC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000061025007 1128465218 /nfs/dbraw/zinc/46/52/18/1128465218.db2.gz SAWUYMFOQXSOJA-UHFFFAOYSA-N 1 2 347.322 3.639 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000903319133 1128468179 /nfs/dbraw/zinc/46/81/79/1128468179.db2.gz PESXOPMPVJFLRU-JTQLQIEISA-N 1 2 338.274 3.812 20 0 EHADLO OCC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC000347640138 1128503419 /nfs/dbraw/zinc/50/34/19/1128503419.db2.gz LAUPZVNMLMLVLM-AWEZNQCLSA-N 1 2 334.778 3.834 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000347644741 1128510319 /nfs/dbraw/zinc/51/03/19/1128510319.db2.gz BZNQEGIMBGYCRR-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265716468 1128521523 /nfs/dbraw/zinc/52/15/23/1128521523.db2.gz XMUNQLIXKXSKPW-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cs1 ZINC000055909897 1128537111 /nfs/dbraw/zinc/53/71/11/1128537111.db2.gz FKNHVLOCOVXEOS-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cs1 ZINC000055909897 1128537114 /nfs/dbraw/zinc/53/71/14/1128537114.db2.gz FKNHVLOCOVXEOS-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c[nH]c3cc(F)ccc23)n1 ZINC000765839912 1128540025 /nfs/dbraw/zinc/54/00/25/1128540025.db2.gz ZANQHTNPBUFYBZ-UHFFFAOYSA-N 1 2 346.431 3.858 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000542701459 1128545060 /nfs/dbraw/zinc/54/50/60/1128545060.db2.gz GBVVVZRGAXGDSS-ZDUSSCGKSA-N 1 2 335.341 3.768 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC000542701459 1128545064 /nfs/dbraw/zinc/54/50/64/1128545064.db2.gz GBVVVZRGAXGDSS-ZDUSSCGKSA-N 1 2 335.341 3.768 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)c2snnc2C)ccc1OC(F)F ZINC000929230320 1128545369 /nfs/dbraw/zinc/54/53/69/1128545369.db2.gz RXEVTNIXDGUYKM-SNVBAGLBSA-N 1 2 343.399 3.650 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)c2snnc2C)ccc1OC(F)F ZINC000929230320 1128545372 /nfs/dbraw/zinc/54/53/72/1128545372.db2.gz RXEVTNIXDGUYKM-SNVBAGLBSA-N 1 2 343.399 3.650 20 0 EHADLO CC(C)C(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001128094692 1128550524 /nfs/dbraw/zinc/55/05/24/1128550524.db2.gz MOVIEQFHISQLIG-QGZVFWFLSA-N 1 2 334.529 3.575 20 0 EHADLO O=C(Nc1ccc(C[NH2+]Cc2occc2Br)cc1)C1CC1 ZINC001116483265 1128571009 /nfs/dbraw/zinc/57/10/09/1128571009.db2.gz PRKYALWQKSUADD-UHFFFAOYSA-N 1 2 349.228 3.680 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465740465 1128611697 /nfs/dbraw/zinc/61/16/97/1128611697.db2.gz MRPMTAJMTJKDDP-AEFFLSMTSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3/C=C/c3ccccc3)[nH+]c12 ZINC000542804658 1128642254 /nfs/dbraw/zinc/64/22/54/1128642254.db2.gz SBPZNNHRHMHHKL-YVNCXZRQSA-N 1 2 345.446 3.890 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1Nc1ccccc1)Cn1cc[nH+]c1 ZINC000153726125 1128656407 /nfs/dbraw/zinc/65/64/07/1128656407.db2.gz QLVDTEZDPAFMMT-MRXNPFEDSA-N 1 2 334.423 3.693 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1Nc1ccccc1)Cn1cc[nH+]c1 ZINC000153726010 1128656442 /nfs/dbraw/zinc/65/64/42/1128656442.db2.gz QLVDTEZDPAFMMT-INIZCTEOSA-N 1 2 334.423 3.693 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3noc4c3CCCC4)CC2)cc1 ZINC000108850763 1128668000 /nfs/dbraw/zinc/66/80/00/1128668000.db2.gz AGSJWDAYCCDLCJ-UHFFFAOYSA-N 1 2 345.874 3.525 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)c1 ZINC000108851139 1128668542 /nfs/dbraw/zinc/66/85/42/1128668542.db2.gz LPMIAYMPIWVZOW-GOSISDBHSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2noc3c2CCCC3)c1 ZINC000108851139 1128668544 /nfs/dbraw/zinc/66/85/44/1128668544.db2.gz LPMIAYMPIWVZOW-GOSISDBHSA-N 1 2 342.439 3.908 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000672082594 1128684498 /nfs/dbraw/zinc/68/44/98/1128684498.db2.gz CKDMOEGJVHYSHW-LJQANCHMSA-N 1 2 347.409 3.752 20 0 EHADLO c1cnc2c(c1)CCC[C@H]2Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001168658907 1128716410 /nfs/dbraw/zinc/71/64/10/1128716410.db2.gz IXWAMCTYNNKOMT-QGZVFWFLSA-N 1 2 325.412 3.524 20 0 EHADLO Cn1cc(-c2nc(C[N@H+](C)Cc3ccc(Cl)cc3)cs2)cn1 ZINC000060463957 1128731865 /nfs/dbraw/zinc/73/18/65/1128731865.db2.gz UTSRXICPLOSXNH-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+](C)Cc3ccc(Cl)cc3)cs2)cn1 ZINC000060463957 1128731867 /nfs/dbraw/zinc/73/18/67/1128731867.db2.gz UTSRXICPLOSXNH-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000072803701 1128737821 /nfs/dbraw/zinc/73/78/21/1128737821.db2.gz ROLZZXZSKJAAOK-UHFFFAOYSA-N 1 2 332.831 3.654 20 0 EHADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000072803701 1128737825 /nfs/dbraw/zinc/73/78/25/1128737825.db2.gz ROLZZXZSKJAAOK-UHFFFAOYSA-N 1 2 332.831 3.654 20 0 EHADLO C[C@]1(CNc2cc(N3CCSCC3)nc[nH+]2)C[C@@H]1c1ccccc1 ZINC000338734273 1128783939 /nfs/dbraw/zinc/78/39/39/1128783939.db2.gz AJDNZRHBFDGLPM-VQIMIIECSA-N 1 2 340.496 3.636 20 0 EHADLO C[C@]1(CNc2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1c1ccccc1 ZINC000338734273 1128783942 /nfs/dbraw/zinc/78/39/42/1128783942.db2.gz AJDNZRHBFDGLPM-VQIMIIECSA-N 1 2 340.496 3.636 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(C)nc2C2CCCC2)cs1 ZINC000921824410 1128790880 /nfs/dbraw/zinc/79/08/80/1128790880.db2.gz NEQBLTCLQISNBA-GFCCVEGCSA-N 1 2 334.489 3.531 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672148923 1128800282 /nfs/dbraw/zinc/80/02/82/1128800282.db2.gz AOMXFBLUUPFCEC-JCYILVPMSA-N 1 2 331.504 3.947 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000921833938 1128798069 /nfs/dbraw/zinc/79/80/69/1128798069.db2.gz BFAKSXGSSYYBDA-UHFFFAOYSA-N 1 2 345.777 3.525 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3scnc3Cl)C2)c1 ZINC001137820940 1128818051 /nfs/dbraw/zinc/81/80/51/1128818051.db2.gz ACFLOBZHPYBLEV-CQSZACIVSA-N 1 2 338.860 3.849 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3scnc3Cl)C2)c1 ZINC001137820940 1128818057 /nfs/dbraw/zinc/81/80/57/1128818057.db2.gz ACFLOBZHPYBLEV-CQSZACIVSA-N 1 2 338.860 3.849 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)[C@H](C)C1 ZINC000672190249 1128839378 /nfs/dbraw/zinc/83/93/78/1128839378.db2.gz VBTRZTQSAGCTNR-SNVBAGLBSA-N 1 2 340.851 3.860 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)[C@H](C)C1 ZINC000672190249 1128839383 /nfs/dbraw/zinc/83/93/83/1128839383.db2.gz VBTRZTQSAGCTNR-SNVBAGLBSA-N 1 2 340.851 3.860 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1ccc(Cl)c(Cl)c1 ZINC001670372537 1120050640 /nfs/dbraw/zinc/05/06/40/1120050640.db2.gz OXSWXWMHWVCZTE-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(F)c(O)c2)C1 ZINC001648901779 1120064531 /nfs/dbraw/zinc/06/45/31/1120064531.db2.gz UIZBQKPBZLTROZ-AWEZNQCLSA-N 1 2 345.418 3.503 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001687360694 1120176105 /nfs/dbraw/zinc/17/61/05/1120176105.db2.gz JHSYJOGEZDUKOJ-XLIONFOSSA-N 1 2 341.499 3.785 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001687360694 1120176108 /nfs/dbraw/zinc/17/61/08/1120176108.db2.gz JHSYJOGEZDUKOJ-XLIONFOSSA-N 1 2 341.499 3.785 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000186705101 1120471444 /nfs/dbraw/zinc/47/14/44/1120471444.db2.gz DXGDGKRHRBBAJC-UHFFFAOYSA-N 1 2 332.451 3.657 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000186705101 1120471449 /nfs/dbraw/zinc/47/14/49/1120471449.db2.gz DXGDGKRHRBBAJC-UHFFFAOYSA-N 1 2 332.451 3.657 20 0 EHADLO CC(C)C[C@H](c1nc(COc2ccc(F)cc2)no1)n1cc[nH+]c1 ZINC000923829204 1120513087 /nfs/dbraw/zinc/51/30/87/1120513087.db2.gz JEKVSDSMZMISGW-OAHLLOKOSA-N 1 2 330.363 3.620 20 0 EHADLO C[C@H](NC(=O)N1CCCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470835 1128922436 /nfs/dbraw/zinc/92/24/36/1128922436.db2.gz VFBXUGVPHUABQO-CVEARBPZSA-N 1 2 326.444 3.907 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000189211376 1120557817 /nfs/dbraw/zinc/55/78/17/1120557817.db2.gz GLHIUZGIAVQRQW-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189919916 1120616863 /nfs/dbraw/zinc/61/68/63/1120616863.db2.gz IQBPIVVQEAMJDY-XJKSGUPXSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189919916 1120616865 /nfs/dbraw/zinc/61/68/65/1120616865.db2.gz IQBPIVVQEAMJDY-XJKSGUPXSA-N 1 2 329.362 3.648 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190179858 1120627951 /nfs/dbraw/zinc/62/79/51/1120627951.db2.gz NNZQKNLXZDISJA-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190179858 1120627954 /nfs/dbraw/zinc/62/79/54/1120627954.db2.gz NNZQKNLXZDISJA-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO C[C@H]1CSCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000190411392 1120637323 /nfs/dbraw/zinc/63/73/23/1120637323.db2.gz ZGLBDGRJNPPDMM-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000190411392 1120637325 /nfs/dbraw/zinc/63/73/25/1120637325.db2.gz ZGLBDGRJNPPDMM-SNVBAGLBSA-N 1 2 333.284 3.617 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)[nH+]1 ZINC000191027098 1120658934 /nfs/dbraw/zinc/65/89/34/1120658934.db2.gz KAFMTJVZNYVVPM-VIFPVBQESA-N 1 2 341.358 3.750 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000191657600 1120684323 /nfs/dbraw/zinc/68/43/23/1120684323.db2.gz GHXZJHNQKLGSFM-KRWDZBQOSA-N 1 2 347.455 3.638 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000191657600 1120684328 /nfs/dbraw/zinc/68/43/28/1120684328.db2.gz GHXZJHNQKLGSFM-KRWDZBQOSA-N 1 2 347.455 3.638 20 0 EHADLO CCCCOc1ccccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191749293 1120691995 /nfs/dbraw/zinc/69/19/95/1120691995.db2.gz VBCAFMWKDZALAU-GOSISDBHSA-N 1 2 345.512 3.889 20 0 EHADLO CCCCOc1ccccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191749293 1120691997 /nfs/dbraw/zinc/69/19/97/1120691997.db2.gz VBCAFMWKDZALAU-GOSISDBHSA-N 1 2 345.512 3.889 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000494627317 1120706380 /nfs/dbraw/zinc/70/63/80/1120706380.db2.gz YCDIUURRUFLRKS-DZGCQCFKSA-N 1 2 343.452 3.799 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc1 ZINC000192592790 1120739619 /nfs/dbraw/zinc/73/96/19/1120739619.db2.gz WWCBKWDJOYHUTI-UHFFFAOYSA-N 1 2 336.357 3.749 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000192740942 1120746108 /nfs/dbraw/zinc/74/61/08/1120746108.db2.gz NXEYWXLMPKQTQC-KRWDZBQOSA-N 1 2 341.904 3.832 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000192740942 1120746114 /nfs/dbraw/zinc/74/61/14/1120746114.db2.gz NXEYWXLMPKQTQC-KRWDZBQOSA-N 1 2 341.904 3.832 20 0 EHADLO FC(F)(F)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000193110234 1120759383 /nfs/dbraw/zinc/75/93/83/1120759383.db2.gz GHZNTLWBBLXZSZ-LLVKDONJSA-N 1 2 327.375 3.979 20 0 EHADLO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000193110234 1120759388 /nfs/dbraw/zinc/75/93/88/1120759388.db2.gz GHZNTLWBBLXZSZ-LLVKDONJSA-N 1 2 327.375 3.979 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194062740 1120819313 /nfs/dbraw/zinc/81/93/13/1120819313.db2.gz WJBZNGFFVGVNPO-ZDUSSCGKSA-N 1 2 348.397 3.564 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000194349156 1120837610 /nfs/dbraw/zinc/83/76/10/1120837610.db2.gz FPTSMZRGTZIPGY-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000194349156 1120837615 /nfs/dbraw/zinc/83/76/15/1120837615.db2.gz FPTSMZRGTZIPGY-UHFFFAOYSA-N 1 2 340.901 3.811 20 0 EHADLO Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2)cs1 ZINC000194555404 1120848916 /nfs/dbraw/zinc/84/89/16/1120848916.db2.gz FHKIYNDXFFUGNC-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO CC[N@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)C1CCCCC1 ZINC000914565109 1120901460 /nfs/dbraw/zinc/90/14/60/1120901460.db2.gz IWKZWOYQQVLVPL-UHFFFAOYSA-N 1 2 338.810 3.621 20 0 EHADLO CC[N@@H+](CN1C(=O)C(=O)c2c1c(F)ccc2Cl)C1CCCCC1 ZINC000914565109 1120901462 /nfs/dbraw/zinc/90/14/62/1120901462.db2.gz IWKZWOYQQVLVPL-UHFFFAOYSA-N 1 2 338.810 3.621 20 0 EHADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494938072 1120911003 /nfs/dbraw/zinc/91/10/03/1120911003.db2.gz GUYKNGGPGNIATR-RXYHWBRQSA-N 1 2 343.421 3.752 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000494964848 1120920832 /nfs/dbraw/zinc/92/08/32/1120920832.db2.gz SVPYOCNNNODCSG-CQSZACIVSA-N 1 2 334.851 3.545 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000494964848 1120920838 /nfs/dbraw/zinc/92/08/38/1120920838.db2.gz SVPYOCNNNODCSG-CQSZACIVSA-N 1 2 334.851 3.545 20 0 EHADLO Clc1ccccc1CN1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495092923 1120951098 /nfs/dbraw/zinc/95/10/98/1120951098.db2.gz NCOJPVRLBRXLJM-ONEGZZNKSA-N 1 2 327.859 3.566 20 0 EHADLO CCc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC000761838620 1120980886 /nfs/dbraw/zinc/98/08/86/1120980886.db2.gz ADBWFWFVPUGRJM-UHFFFAOYSA-N 1 2 336.391 3.722 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCC1(c2ccccc2)CCCCCC1 ZINC000495235727 1120995875 /nfs/dbraw/zinc/99/58/75/1120995875.db2.gz DFBLWDUZBNFKGM-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccccc1F ZINC000171621162 1120996675 /nfs/dbraw/zinc/99/66/75/1120996675.db2.gz JZXHHVBNNKOJRA-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccccc1F ZINC000171621162 1120996676 /nfs/dbraw/zinc/99/66/76/1120996676.db2.gz JZXHHVBNNKOJRA-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 ZINC000171621818 1120996779 /nfs/dbraw/zinc/99/67/79/1120996779.db2.gz LNWLWWCUHBKUJX-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1 ZINC000171621818 1120996780 /nfs/dbraw/zinc/99/67/80/1120996780.db2.gz LNWLWWCUHBKUJX-IBGZPJMESA-N 1 2 328.362 3.538 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CC=CCC3)cs2)c1 ZINC000679321455 1128960180 /nfs/dbraw/zinc/96/01/80/1128960180.db2.gz CQPPLNNBDFLAEZ-UHFFFAOYSA-N 1 2 341.480 3.703 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3CC=CCC3)cs2)c1 ZINC000679321455 1128960185 /nfs/dbraw/zinc/96/01/85/1128960185.db2.gz CQPPLNNBDFLAEZ-UHFFFAOYSA-N 1 2 341.480 3.703 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc(C(C)C)n2)[nH+]1 ZINC000762081350 1121097382 /nfs/dbraw/zinc/09/73/82/1121097382.db2.gz BHOJVJHFOJXKPF-UHFFFAOYSA-N 1 2 342.439 3.715 20 0 EHADLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000302744424 1121100690 /nfs/dbraw/zinc/10/06/90/1121100690.db2.gz VCBGZWTXNQJMBE-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO Cc1nc2ccc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)cc2s1 ZINC000762155355 1121131067 /nfs/dbraw/zinc/13/10/67/1121131067.db2.gz DDLXLTQMVARSQU-UHFFFAOYSA-N 1 2 326.425 3.626 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)cnc1Br ZINC000929860026 1121161422 /nfs/dbraw/zinc/16/14/22/1121161422.db2.gz FAIFMEDOZSIBJW-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cnc1Br ZINC000929860026 1121161426 /nfs/dbraw/zinc/16/14/26/1121161426.db2.gz FAIFMEDOZSIBJW-OAHLLOKOSA-N 1 2 334.261 3.828 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cccc(Cl)c2o1 ZINC000762260223 1121223142 /nfs/dbraw/zinc/22/31/42/1121223142.db2.gz UQEOKCRABWVEHT-UHFFFAOYSA-N 1 2 325.755 3.664 20 0 EHADLO c1nn(CC[NH+]2CCOCC2)cc1Nc1ccc(C2CCCC2)cc1 ZINC001212456713 1128981635 /nfs/dbraw/zinc/98/16/35/1128981635.db2.gz RAVZRYOQRGGTIO-UHFFFAOYSA-N 1 2 340.471 3.617 20 0 EHADLO CCCCn1c(S[C@@H](C)c2ncccn2)nnc1[C@H](CC)[NH+](C)C ZINC000915471433 1121422559 /nfs/dbraw/zinc/42/25/59/1121422559.db2.gz JKQKKFGDDISAFI-KBPBESRZSA-N 1 2 348.520 3.734 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCS1 ZINC000171694754 1121436895 /nfs/dbraw/zinc/43/68/95/1121436895.db2.gz IFRAKRYCAXZVFR-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCS1 ZINC000171694754 1121436896 /nfs/dbraw/zinc/43/68/96/1121436896.db2.gz IFRAKRYCAXZVFR-SNVBAGLBSA-N 1 2 343.374 3.693 20 0 EHADLO Cc1csc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495858430 1121548806 /nfs/dbraw/zinc/54/88/06/1121548806.db2.gz WASQSALPDLOVMN-CYBMUJFWSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1csc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495858430 1121548812 /nfs/dbraw/zinc/54/88/12/1121548812.db2.gz WASQSALPDLOVMN-CYBMUJFWSA-N 1 2 331.441 3.601 20 0 EHADLO Clc1c(Br)cccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001235602842 1121648205 /nfs/dbraw/zinc/64/82/05/1121648205.db2.gz CLSRRKNUTQPXCG-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1c(Br)cccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001235602842 1121648209 /nfs/dbraw/zinc/64/82/09/1121648209.db2.gz CLSRRKNUTQPXCG-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000018939041 1121660902 /nfs/dbraw/zinc/66/09/02/1121660902.db2.gz KHKTXTRCTSKNHG-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000018939041 1121660904 /nfs/dbraw/zinc/66/09/04/1121660904.db2.gz KHKTXTRCTSKNHG-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c2ccccc2n1 ZINC000172814268 1129005646 /nfs/dbraw/zinc/00/56/46/1129005646.db2.gz WBFRFIBUNGXPMJ-SFHVURJKSA-N 1 2 346.478 3.817 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2[nH+]1 ZINC000055551680 1121838467 /nfs/dbraw/zinc/83/84/67/1121838467.db2.gz QIBUPJKENVBCCR-UHFFFAOYSA-N 1 2 349.312 3.908 20 0 EHADLO Cc1cccc(OCCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055696700 1121858154 /nfs/dbraw/zinc/85/81/54/1121858154.db2.gz HEIUYGUDCZGDSK-UHFFFAOYSA-N 1 2 349.434 3.656 20 0 EHADLO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696610 1121858374 /nfs/dbraw/zinc/85/83/74/1121858374.db2.gz FDXTYZIOVRXZGQ-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO CCc1sc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000055696032 1121858484 /nfs/dbraw/zinc/85/84/84/1121858484.db2.gz NKMWWOHQFCISQA-UHFFFAOYSA-N 1 2 325.437 3.735 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccc(COc2ccccc2)cc1 ZINC000763288678 1121943461 /nfs/dbraw/zinc/94/34/61/1121943461.db2.gz QLXOJIVTZJKQQS-UHFFFAOYSA-N 1 2 336.391 3.709 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1c2ccccc2nc2c1CCCCC2 ZINC000763289552 1121943561 /nfs/dbraw/zinc/94/35/61/1121943561.db2.gz SIMWNEABDCHNEC-UHFFFAOYSA-N 1 2 349.434 3.947 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444191525 1121970709 /nfs/dbraw/zinc/97/07/09/1121970709.db2.gz GAAWBXCPABSPOR-OKZBNKHCSA-N 1 2 346.519 3.914 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444193130 1121971248 /nfs/dbraw/zinc/97/12/48/1121971248.db2.gz HTWQTLJTZMVMND-IKGGRYGDSA-N 1 2 332.492 3.668 20 0 EHADLO C[C@@H](CCc1ccco1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000326657487 1121972834 /nfs/dbraw/zinc/97/28/34/1121972834.db2.gz GGYJJMSJOUDNOP-AWEZNQCLSA-N 1 2 333.395 3.842 20 0 EHADLO OCC[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000347680292 1129029953 /nfs/dbraw/zinc/02/99/53/1129029953.db2.gz VNGWEOZDXABNKV-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO OCC[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000347680292 1129029956 /nfs/dbraw/zinc/02/99/56/1129029956.db2.gz VNGWEOZDXABNKV-UHFFFAOYSA-N 1 2 326.259 3.505 20 0 EHADLO Nc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)c[nH+]1 ZINC000916251717 1122110770 /nfs/dbraw/zinc/11/07/70/1122110770.db2.gz IPQQRKFLURIIAZ-UHFFFAOYSA-N 1 2 329.454 3.611 20 0 EHADLO C[C@@H](Cc1ccoc1)Nc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000496950476 1122217669 /nfs/dbraw/zinc/21/76/69/1122217669.db2.gz QGPCVSLEUMIBNX-ZDUSSCGKSA-N 1 2 331.416 3.742 20 0 EHADLO Cc1nc(C[NH2+]Cc2cnc3c(F)cccc3c2)nc2ccccc12 ZINC001649033067 1122225528 /nfs/dbraw/zinc/22/55/28/1122225528.db2.gz CUOAPEPHZZYOOI-UHFFFAOYSA-N 1 2 332.382 3.915 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125243393 1122309870 /nfs/dbraw/zinc/30/98/70/1122309870.db2.gz NGHNODLQAZEPFQ-VQIMIIECSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1ccc2c(CC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)coc2c1 ZINC000126559543 1122412223 /nfs/dbraw/zinc/41/22/23/1122412223.db2.gz QNFHBUOSCYAHCM-CRAIPNDOSA-N 1 2 337.423 3.590 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC1(c2ccccc2)CCC1 ZINC000066220534 1122458423 /nfs/dbraw/zinc/45/84/23/1122458423.db2.gz FREHYKHIGGZFAW-UHFFFAOYSA-N 1 2 346.434 3.751 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)NC1CCCCCCC1)C1CC1 ZINC000917067726 1122469859 /nfs/dbraw/zinc/46/98/59/1122469859.db2.gz WUZULWPLMWZZCI-UHFFFAOYSA-N 1 2 344.499 3.889 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)NC1CCCCCCC1)C1CC1 ZINC000917067726 1122469862 /nfs/dbraw/zinc/46/98/62/1122469862.db2.gz WUZULWPLMWZZCI-UHFFFAOYSA-N 1 2 344.499 3.889 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000917076924 1122473654 /nfs/dbraw/zinc/47/36/54/1122473654.db2.gz OHPZXYIJKNJAJC-NTDBWNAOSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000917076924 1122473657 /nfs/dbraw/zinc/47/36/57/1122473657.db2.gz OHPZXYIJKNJAJC-NTDBWNAOSA-N 1 2 347.503 3.593 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127769957 1122507125 /nfs/dbraw/zinc/50/71/25/1122507125.db2.gz LKYKWGBDWMPJMP-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127769957 1122507128 /nfs/dbraw/zinc/50/71/28/1122507128.db2.gz LKYKWGBDWMPJMP-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(F)c(F)c1 ZINC000067557238 1122521218 /nfs/dbraw/zinc/52/12/18/1122521218.db2.gz HZIOIFCEQSGRSP-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000128061946 1122526620 /nfs/dbraw/zinc/52/66/20/1122526620.db2.gz GNRFYQMLKGJYHW-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128535779 1122619445 /nfs/dbraw/zinc/61/94/45/1122619445.db2.gz JRUBQQPYJJOLCA-SJORKVTESA-N 1 2 342.508 3.832 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000917641828 1122656077 /nfs/dbraw/zinc/65/60/77/1122656077.db2.gz DLVYVVHNSOBDKM-SZGUKTLCSA-N 1 2 332.875 3.902 20 0 EHADLO CCOc1cccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1 ZINC000917631146 1122658888 /nfs/dbraw/zinc/65/88/88/1122658888.db2.gz LQWCTMDUFWELBF-UHFFFAOYSA-N 1 2 333.457 3.636 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1nccn1-c1ccccc1 ZINC000672781009 1129071319 /nfs/dbraw/zinc/07/13/19/1129071319.db2.gz ZDPHRNDFXLOTTJ-OAHLLOKOSA-N 1 2 331.423 3.610 20 0 EHADLO Cc1ncc(Br)n1Cc1c[nH+]c(N(C)C)c2ccccc12 ZINC000918293421 1122787164 /nfs/dbraw/zinc/78/71/64/1122787164.db2.gz VQTHTNMGILSNBX-UHFFFAOYSA-N 1 2 345.244 3.617 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000069519020 1122788035 /nfs/dbraw/zinc/78/80/35/1122788035.db2.gz HYQHJORTGIJVNK-AWEZNQCLSA-N 1 2 332.469 3.653 20 0 EHADLO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000069519020 1122788037 /nfs/dbraw/zinc/78/80/37/1122788037.db2.gz HYQHJORTGIJVNK-AWEZNQCLSA-N 1 2 332.469 3.653 20 0 EHADLO COC(=O)c1occc1C[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000609280798 1122829589 /nfs/dbraw/zinc/82/95/89/1122829589.db2.gz PNFJPSLOAVYJRF-INIZCTEOSA-N 1 2 329.396 3.802 20 0 EHADLO COC(=O)c1occc1C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000609280798 1122829592 /nfs/dbraw/zinc/82/95/92/1122829592.db2.gz PNFJPSLOAVYJRF-INIZCTEOSA-N 1 2 329.396 3.802 20 0 EHADLO CC(C)c1cccc(NC(=S)NCCCNc2cccc[nH+]2)c1 ZINC000918724223 1122897945 /nfs/dbraw/zinc/89/79/45/1122897945.db2.gz ZALWYKRPCLCJMT-UHFFFAOYSA-N 1 2 328.485 3.994 20 0 EHADLO CCc1c(C(=O)Cn2c[nH+]c(Cc3ccccc3)c2)[nH]c(C)c1C(C)=O ZINC000919144196 1122986054 /nfs/dbraw/zinc/98/60/54/1122986054.db2.gz QSHDKZLVKXXEQC-UHFFFAOYSA-N 1 2 349.434 3.758 20 0 EHADLO FC(F)(F)C(F)(F)COCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151317 1122986687 /nfs/dbraw/zinc/98/66/87/1122986687.db2.gz REPQICNAYFCYPV-UHFFFAOYSA-N 1 2 334.288 3.688 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccccc1 ZINC000130760363 1122995025 /nfs/dbraw/zinc/99/50/25/1122995025.db2.gz REHLMAPSRDIIFQ-AZUAARDMSA-N 1 2 338.451 3.628 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000498628639 1122997993 /nfs/dbraw/zinc/99/79/93/1122997993.db2.gz WMJSYTQXFZUXER-OXJNMPFZSA-N 1 2 341.451 3.563 20 0 EHADLO Oc1c(F)cc(F)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001212481823 1129092779 /nfs/dbraw/zinc/09/27/79/1129092779.db2.gz LBUZHMFVLPVSOW-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nc(C(C)(C)C)no1 ZINC000071968564 1123030082 /nfs/dbraw/zinc/03/00/82/1123030082.db2.gz LMHHCKHUQYEXIS-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nc(C(C)(C)C)no1 ZINC000071968564 1123030086 /nfs/dbraw/zinc/03/00/86/1123030086.db2.gz LMHHCKHUQYEXIS-UHFFFAOYSA-N 1 2 337.851 3.921 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)o1 ZINC000131365338 1123089918 /nfs/dbraw/zinc/08/99/18/1123089918.db2.gz SSTMBJKSGLDPRN-CYBMUJFWSA-N 1 2 343.349 3.515 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)o1 ZINC000131365338 1123089923 /nfs/dbraw/zinc/08/99/23/1123089923.db2.gz SSTMBJKSGLDPRN-CYBMUJFWSA-N 1 2 343.349 3.515 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCCc3ccccc3C2)CCN1c1c(F)cccc1F ZINC000498937724 1123120976 /nfs/dbraw/zinc/12/09/76/1123120976.db2.gz JZRPFRRJPBEIJN-SFHVURJKSA-N 1 2 342.389 3.519 20 0 EHADLO O=C1[C@@H]([N@H+]2CCCc3ccccc3C2)CCN1c1c(F)cccc1F ZINC000498937724 1123120979 /nfs/dbraw/zinc/12/09/79/1123120979.db2.gz JZRPFRRJPBEIJN-SFHVURJKSA-N 1 2 342.389 3.519 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000072630315 1123133448 /nfs/dbraw/zinc/13/34/48/1123133448.db2.gz NLWBYEKMUZYJAB-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000072630315 1123133450 /nfs/dbraw/zinc/13/34/50/1123133450.db2.gz NLWBYEKMUZYJAB-CQSZACIVSA-N 1 2 325.387 3.910 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000072674332 1123140944 /nfs/dbraw/zinc/14/09/44/1123140944.db2.gz PMZWGFJDIGYMFE-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000556885231 1123166110 /nfs/dbraw/zinc/16/61/10/1123166110.db2.gz HPWLYGGWZZOOPF-AWEZNQCLSA-N 1 2 347.409 3.630 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000922104786 1129104159 /nfs/dbraw/zinc/10/41/59/1129104159.db2.gz YBJNRUARUMHPFF-UHFFFAOYSA-N 1 2 337.427 3.510 20 0 EHADLO Cc1cc(NC(=O)c2cccc(OCc3cscn3)c2)cc[nH+]1 ZINC000073069524 1123186666 /nfs/dbraw/zinc/18/66/66/1123186666.db2.gz VZKKHNMMBHUEKU-UHFFFAOYSA-N 1 2 325.393 3.678 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000609313096 1123323178 /nfs/dbraw/zinc/32/31/78/1123323178.db2.gz RYHVTGQJDTZYRH-UHFFFAOYSA-N 1 2 333.334 3.590 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000609313096 1123323183 /nfs/dbraw/zinc/32/31/83/1123323183.db2.gz RYHVTGQJDTZYRH-UHFFFAOYSA-N 1 2 333.334 3.590 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000133049703 1123334044 /nfs/dbraw/zinc/33/40/44/1123334044.db2.gz JCESUNVIJUCUTO-MISYRCLQSA-N 1 2 337.467 3.630 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(OC(C)C)c1)C2 ZINC000609314287 1123334978 /nfs/dbraw/zinc/33/49/78/1123334978.db2.gz YBVXDUHSCRNSOH-UHFFFAOYSA-N 1 2 325.408 3.776 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(OC(C)C)c1)C2 ZINC000609314287 1123334981 /nfs/dbraw/zinc/33/49/81/1123334981.db2.gz YBVXDUHSCRNSOH-UHFFFAOYSA-N 1 2 325.408 3.776 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021116 1129116418 /nfs/dbraw/zinc/11/64/18/1129116418.db2.gz IIFNYPDYGPMPOE-KCTSRDHCSA-N 1 2 342.405 3.648 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021116 1129116419 /nfs/dbraw/zinc/11/64/19/1129116419.db2.gz IIFNYPDYGPMPOE-KCTSRDHCSA-N 1 2 342.405 3.648 20 0 EHADLO CCc1c(C(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000920404969 1123364675 /nfs/dbraw/zinc/36/46/75/1123364675.db2.gz PDFMJFSVNDSLRK-ZDUSSCGKSA-N 1 2 338.451 3.890 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000920404969 1123364677 /nfs/dbraw/zinc/36/46/77/1123364677.db2.gz PDFMJFSVNDSLRK-ZDUSSCGKSA-N 1 2 338.451 3.890 20 0 EHADLO CC(C)COc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000921147880 1123476953 /nfs/dbraw/zinc/47/69/53/1123476953.db2.gz XKUXVEZNVLNLAV-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO c1cn(-c2ccc(-c3noc([C@@H]4CCNc5ccccc54)n3)cc2)c[nH+]1 ZINC001212252635 1123484721 /nfs/dbraw/zinc/48/47/21/1123484721.db2.gz XLQBHITXVSYFDE-QGZVFWFLSA-N 1 2 343.390 3.870 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134672217 1123542114 /nfs/dbraw/zinc/54/21/14/1123542114.db2.gz HCGMGWADUBHKKW-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134672217 1123542119 /nfs/dbraw/zinc/54/21/19/1123542119.db2.gz HCGMGWADUBHKKW-CYBMUJFWSA-N 1 2 344.842 3.734 20 0 EHADLO NC(=[NH+]OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000064387731 1123595063 /nfs/dbraw/zinc/59/50/63/1123595063.db2.gz AXBAIEHQQGIDEN-UHFFFAOYSA-N 1 2 327.384 3.786 20 0 EHADLO FC(F)(Br)C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000922126447 1129133688 /nfs/dbraw/zinc/13/36/88/1129133688.db2.gz ICQOKXOOMLFOIB-NEPJUHHUSA-N 1 2 326.225 3.549 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170841574 1123658183 /nfs/dbraw/zinc/65/81/83/1123658183.db2.gz FAOJDSTVUAOHRY-GJZGRUSLSA-N 1 2 340.389 3.543 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170841574 1123658185 /nfs/dbraw/zinc/65/81/85/1123658185.db2.gz FAOJDSTVUAOHRY-GJZGRUSLSA-N 1 2 340.389 3.543 20 0 EHADLO Cc1cccc(C2(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)CCCCC2)c1 ZINC000153420061 1123788685 /nfs/dbraw/zinc/78/86/85/1123788685.db2.gz KZTPLGWIFYQSOK-GOSISDBHSA-N 1 2 339.483 3.846 20 0 EHADLO Cc1coc(C)c1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000670773187 1123860036 /nfs/dbraw/zinc/86/00/36/1123860036.db2.gz WMGCZLIZHDBLFU-GJZGRUSLSA-N 1 2 342.439 3.758 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)(C)C ZINC000543045203 1129156369 /nfs/dbraw/zinc/15/63/69/1129156369.db2.gz JJHUIMKKKYOXPJ-QGZVFWFLSA-N 1 2 334.508 3.910 20 0 EHADLO CCC1(CC)CN(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)C(=O)O1 ZINC000180244410 1123969930 /nfs/dbraw/zinc/96/99/30/1123969930.db2.gz VBTMSNPMUQDKEV-AWEZNQCLSA-N 1 2 337.489 3.729 20 0 EHADLO CCC1(CC)CN(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)C(=O)O1 ZINC000180244410 1123969932 /nfs/dbraw/zinc/96/99/32/1123969932.db2.gz VBTMSNPMUQDKEV-AWEZNQCLSA-N 1 2 337.489 3.729 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1c(=O)sc2c1CCCC2 ZINC000068880010 1124042939 /nfs/dbraw/zinc/04/29/39/1124042939.db2.gz BBULIHDYXKNYNF-HNNXBMFYSA-N 1 2 344.480 3.592 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1c(=O)sc2c1CCCC2 ZINC000068880010 1124042944 /nfs/dbraw/zinc/04/29/44/1124042944.db2.gz BBULIHDYXKNYNF-HNNXBMFYSA-N 1 2 344.480 3.592 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000543060113 1129172071 /nfs/dbraw/zinc/17/20/71/1129172071.db2.gz WYUBQLFCEXIPDM-MRXNPFEDSA-N 1 2 338.451 3.667 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000543060113 1129172075 /nfs/dbraw/zinc/17/20/75/1129172075.db2.gz WYUBQLFCEXIPDM-MRXNPFEDSA-N 1 2 338.451 3.667 20 0 EHADLO C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000734520881 1131245551 /nfs/dbraw/zinc/24/55/51/1131245551.db2.gz QDDDDJNWWRSSEJ-HNNXBMFYSA-N 1 2 332.492 3.553 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccccc2OC2CCCC2)c[nH+]1 ZINC000825286003 1131262717 /nfs/dbraw/zinc/26/27/17/1131262717.db2.gz FWPGCVGEFJOTBB-UHFFFAOYSA-N 1 2 341.455 3.564 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000246902267 1124564254 /nfs/dbraw/zinc/56/42/54/1124564254.db2.gz JVXZTYBXFBPMMX-RLFYNMQTSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000246902267 1124564263 /nfs/dbraw/zinc/56/42/63/1124564263.db2.gz JVXZTYBXFBPMMX-RLFYNMQTSA-N 1 2 343.423 3.898 20 0 EHADLO CC(C)Oc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1F ZINC001212318111 1124620299 /nfs/dbraw/zinc/62/02/99/1124620299.db2.gz ONMRJILQLJTQJT-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000247706737 1124623118 /nfs/dbraw/zinc/62/31/18/1124623118.db2.gz ZBUGUSPQWYTJKR-ZBFHGGJFSA-N 1 2 331.485 3.795 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)CCS1 ZINC000247706737 1124623121 /nfs/dbraw/zinc/62/31/21/1124623121.db2.gz ZBUGUSPQWYTJKR-ZBFHGGJFSA-N 1 2 331.485 3.795 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3C[C@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000248343382 1124650754 /nfs/dbraw/zinc/65/07/54/1124650754.db2.gz KFUNHFGIVUTAFK-IFXJQAMLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3C[C@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000248343382 1124650755 /nfs/dbraw/zinc/65/07/55/1124650755.db2.gz KFUNHFGIVUTAFK-IFXJQAMLSA-N 1 2 335.407 3.938 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)[C@@H](COC)Cc2ccccc2)n1 ZINC000248560806 1124673018 /nfs/dbraw/zinc/67/30/18/1124673018.db2.gz JKJBTOMLIDWKEL-GOEBONIOSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)[C@@H](COC)Cc2ccccc2)n1 ZINC000248560806 1124673024 /nfs/dbraw/zinc/67/30/24/1124673024.db2.gz JKJBTOMLIDWKEL-GOEBONIOSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H](COC)Cc2ccccc2)n1 ZINC000248560803 1124673340 /nfs/dbraw/zinc/67/33/40/1124673340.db2.gz JKJBTOMLIDWKEL-GDBMZVCRSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H](COC)Cc2ccccc2)n1 ZINC000248560803 1124673343 /nfs/dbraw/zinc/67/33/43/1124673343.db2.gz JKJBTOMLIDWKEL-GDBMZVCRSA-N 1 2 349.500 3.573 20 0 EHADLO Cc1ccc(C)c(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069389679 1124741554 /nfs/dbraw/zinc/74/15/54/1124741554.db2.gz NMGNUZFJZBQJDY-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO CC(C)(C)C1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000734835799 1131284448 /nfs/dbraw/zinc/28/44/48/1131284448.db2.gz MVWJKOMXOWEZSC-UHFFFAOYSA-N 1 2 345.455 3.941 20 0 EHADLO CC1(C)CCc2cc(C[NH2+][C@@H](CO)c3c(F)cccc3F)ccc2O1 ZINC000734847967 1131285466 /nfs/dbraw/zinc/28/54/66/1131285466.db2.gz ZQHKOECGWQEYQG-KRWDZBQOSA-N 1 2 347.405 3.892 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)C1=O ZINC000735070347 1131306609 /nfs/dbraw/zinc/30/66/09/1131306609.db2.gz KQFQBCMTLJODQZ-IBGZPJMESA-N 1 2 348.874 3.683 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1=O ZINC000735070347 1131306611 /nfs/dbraw/zinc/30/66/11/1131306611.db2.gz KQFQBCMTLJODQZ-IBGZPJMESA-N 1 2 348.874 3.683 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763495782 1124916867 /nfs/dbraw/zinc/91/68/67/1124916867.db2.gz NEZGMASCAKNRLF-PQTFEYQYSA-N 1 2 348.661 3.705 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763495782 1124916871 /nfs/dbraw/zinc/91/68/71/1124916871.db2.gz NEZGMASCAKNRLF-PQTFEYQYSA-N 1 2 348.661 3.705 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C ZINC000251605907 1124927633 /nfs/dbraw/zinc/92/76/33/1124927633.db2.gz FYLSZLYPHNYJDD-MISXGVKJSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C ZINC000251605907 1124927638 /nfs/dbraw/zinc/92/76/38/1124927638.db2.gz FYLSZLYPHNYJDD-MISXGVKJSA-N 1 2 345.270 3.677 20 0 EHADLO O=C(CCc1ccc(C(F)F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000630865763 1124944232 /nfs/dbraw/zinc/94/42/32/1124944232.db2.gz RMLMPOGERCFMIY-UHFFFAOYSA-N 1 2 333.382 3.617 20 0 EHADLO C[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000649478578 1124947631 /nfs/dbraw/zinc/94/76/31/1124947631.db2.gz JBUZOFCQSGNBPX-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO C[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000649478578 1124947639 /nfs/dbraw/zinc/94/76/39/1124947639.db2.gz JBUZOFCQSGNBPX-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821908 1125163990 /nfs/dbraw/zinc/16/39/90/1125163990.db2.gz ONFIHDLCZCQMIA-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821908 1125163993 /nfs/dbraw/zinc/16/39/93/1125163993.db2.gz ONFIHDLCZCQMIA-UHFFFAOYSA-N 1 2 336.435 3.731 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)ccc1OC(F)F ZINC000921498923 1125168685 /nfs/dbraw/zinc/16/86/85/1125168685.db2.gz OPXGTORJNQXNBS-UHFFFAOYSA-N 1 2 340.370 3.872 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000182121192 1125173745 /nfs/dbraw/zinc/17/37/45/1125173745.db2.gz JAZYKIUZKWBYQP-HNNXBMFYSA-N 1 2 345.748 3.585 20 0 EHADLO O=C1C[C@@H](c2ccccc2F)CN1C[N@H+](Cc1cccs1)C1CC1 ZINC000182652237 1125349428 /nfs/dbraw/zinc/34/94/28/1125349428.db2.gz GOASOQJNFUEVEI-CQSZACIVSA-N 1 2 344.455 3.825 20 0 EHADLO O=C1C[C@@H](c2ccccc2F)CN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000182652237 1125349430 /nfs/dbraw/zinc/34/94/30/1125349430.db2.gz GOASOQJNFUEVEI-CQSZACIVSA-N 1 2 344.455 3.825 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000152768455 1125379395 /nfs/dbraw/zinc/37/93/95/1125379395.db2.gz CJFCITWMNNWEDC-QUCCMNQESA-N 1 2 337.467 3.898 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000183118318 1125447306 /nfs/dbraw/zinc/44/73/06/1125447306.db2.gz MVWLNMMNOGFFGQ-CVEARBPZSA-N 1 2 327.453 3.711 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705234 1129213333 /nfs/dbraw/zinc/21/33/33/1129213333.db2.gz SUYZUAZSVZGYNE-UZLBHIALSA-N 1 2 343.854 3.571 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000079025740 1129225207 /nfs/dbraw/zinc/22/52/07/1129225207.db2.gz ZSTPQGTXKPIECH-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO O=C(NC(C1CCCC1)C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735582444 1131359778 /nfs/dbraw/zinc/35/97/78/1131359778.db2.gz IAUXJSQTKQMKBM-GOSISDBHSA-N 1 2 344.503 3.979 20 0 EHADLO COc1cc(Cl)ccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000067054399 1129238861 /nfs/dbraw/zinc/23/88/61/1129238861.db2.gz XGMUVTQDHQOSJL-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000922163940 1129271340 /nfs/dbraw/zinc/27/13/40/1129271340.db2.gz UQTQUCBORZRMDT-LLVKDONJSA-N 1 2 329.753 3.820 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cc(C)ccc2Br)c1Cl ZINC000922186467 1129314290 /nfs/dbraw/zinc/31/42/90/1129314290.db2.gz PICARPALVIUECK-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000116171528 1129339467 /nfs/dbraw/zinc/33/94/67/1129339467.db2.gz HFBWTVXZBATUCP-GOSISDBHSA-N 1 2 331.504 3.731 20 0 EHADLO O=C(C[NH+]1CCc2ccccc2CC1)Nc1ccc(F)cc1Cl ZINC000116299393 1129350595 /nfs/dbraw/zinc/35/05/95/1129350595.db2.gz ZFJLKUYVWUTLLC-UHFFFAOYSA-N 1 2 332.806 3.518 20 0 EHADLO CC(C)c1nnc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)s1 ZINC000358016886 1129351156 /nfs/dbraw/zinc/35/11/56/1129351156.db2.gz ADHBTZCHTGBTCP-OAHLLOKOSA-N 1 2 344.484 3.827 20 0 EHADLO CC(C)c1nnc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)s1 ZINC000358016886 1129351161 /nfs/dbraw/zinc/35/11/61/1129351161.db2.gz ADHBTZCHTGBTCP-OAHLLOKOSA-N 1 2 344.484 3.827 20 0 EHADLO CC1(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000116526425 1129367907 /nfs/dbraw/zinc/36/79/07/1129367907.db2.gz ACOFHPVEQGFRTC-UHFFFAOYSA-N 1 2 330.476 3.594 20 0 EHADLO CC[C@@H](CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000081318379 1129413616 /nfs/dbraw/zinc/41/36/16/1129413616.db2.gz NJAMBZMCYQAOAI-FUHWJXTLSA-N 1 2 327.472 3.892 20 0 EHADLO Cc1cccc(CCC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081318516 1129413739 /nfs/dbraw/zinc/41/37/39/1129413739.db2.gz UJWLJSLOAKFDBJ-HXUWFJFHSA-N 1 2 347.462 3.761 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000117261052 1129427573 /nfs/dbraw/zinc/42/75/73/1129427573.db2.gz AXTOVQZWUKXWIX-QZTJIDSGSA-N 1 2 331.504 3.893 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000480138829 1129433296 /nfs/dbraw/zinc/43/32/96/1129433296.db2.gz KZWSKZAPRRFWAA-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO Cc1cccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1C ZINC000673471283 1129444684 /nfs/dbraw/zinc/44/46/84/1129444684.db2.gz KVDWZSXPMXXFBV-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO O=c1[nH]c2cccc(C[NH2+]C3(c4c(F)cccc4F)CCC3)c2o1 ZINC000922300780 1129449521 /nfs/dbraw/zinc/44/95/21/1129449521.db2.gz RGECSIVIRSYZKQ-UHFFFAOYSA-N 1 2 330.334 3.981 20 0 EHADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922306759 1129454773 /nfs/dbraw/zinc/45/47/73/1129454773.db2.gz BISJXJIELSVIRZ-QGZVFWFLSA-N 1 2 327.472 3.645 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000922335838 1129474559 /nfs/dbraw/zinc/47/45/59/1129474559.db2.gz PFAQWXZYWGWLQR-OALUTQOASA-N 1 2 326.415 3.504 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1C ZINC000543423497 1129480433 /nfs/dbraw/zinc/48/04/33/1129480433.db2.gz WUMLWCQFRDHPNF-MRXNPFEDSA-N 1 2 341.455 3.717 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000543482698 1129516697 /nfs/dbraw/zinc/51/66/97/1129516697.db2.gz MZILCERYXOKVQT-IRXDYDNUSA-N 1 2 342.418 3.770 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000543482698 1129516700 /nfs/dbraw/zinc/51/67/00/1129516700.db2.gz MZILCERYXOKVQT-IRXDYDNUSA-N 1 2 342.418 3.770 20 0 EHADLO FC(F)(F)c1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC000428859630 1129540993 /nfs/dbraw/zinc/54/09/93/1129540993.db2.gz DUKGWXGKCUBMDW-UHFFFAOYSA-N 1 2 343.374 3.611 20 0 EHADLO Oc1ccc(Br)c(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000922467091 1129542998 /nfs/dbraw/zinc/54/29/98/1129542998.db2.gz PVJARRVCABXXDK-UHFFFAOYSA-N 1 2 347.256 3.718 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000922522682 1129562106 /nfs/dbraw/zinc/56/21/06/1129562106.db2.gz WQVGXRJDVYGOOI-HNAYVOBHSA-N 1 2 341.386 3.550 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3cc(Br)ccc3F)nc12 ZINC000124030122 1129575335 /nfs/dbraw/zinc/57/53/35/1129575335.db2.gz ZLLYTLNEBMAHGV-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922581257 1129581466 /nfs/dbraw/zinc/58/14/66/1129581466.db2.gz SQSZOOXPLIOVGF-INIZCTEOSA-N 1 2 339.468 3.613 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168729025 1129585839 /nfs/dbraw/zinc/58/58/39/1129585839.db2.gz FZOFOUZHWIIJAR-KRWDZBQOSA-N 1 2 349.261 3.709 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000922612492 1129598171 /nfs/dbraw/zinc/59/81/71/1129598171.db2.gz CAHOSTXAFJWHNA-KRWDZBQOSA-N 1 2 347.434 3.776 20 0 EHADLO CCC[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC000922659236 1129618139 /nfs/dbraw/zinc/61/81/39/1129618139.db2.gz MWSVIDMMAXMGHY-AZUAARDMSA-N 1 2 348.450 3.720 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1OCc1cccnc1 ZINC000673618519 1129667476 /nfs/dbraw/zinc/66/74/76/1129667476.db2.gz MOAFMLODFYMGPW-GOSISDBHSA-N 1 2 348.393 3.947 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282390397 1129683190 /nfs/dbraw/zinc/68/31/90/1129683190.db2.gz GSMZXTOXJJUCSX-CYBMUJFWSA-N 1 2 331.334 3.621 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282390397 1129683192 /nfs/dbraw/zinc/68/31/92/1129683192.db2.gz GSMZXTOXJJUCSX-CYBMUJFWSA-N 1 2 331.334 3.621 20 0 EHADLO CCCn1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000347757220 1129692825 /nfs/dbraw/zinc/69/28/25/1129692825.db2.gz WFWUYOYKIAHDCJ-FQEVSTJZSA-N 1 2 348.450 3.763 20 0 EHADLO C[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1cccnc1 ZINC000282407139 1129707470 /nfs/dbraw/zinc/70/74/70/1129707470.db2.gz HTHBVTIZCQJODZ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1cccnc1 ZINC000282407139 1129707473 /nfs/dbraw/zinc/70/74/73/1129707473.db2.gz HTHBVTIZCQJODZ-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC12CCCCCC2 ZINC000827994119 1129715863 /nfs/dbraw/zinc/71/58/63/1129715863.db2.gz OKKODNLGQKCGHK-AEFFLSMTSA-N 1 2 329.488 3.653 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H](C)CC(C)C ZINC000126257343 1129742035 /nfs/dbraw/zinc/74/20/35/1129742035.db2.gz ODMORWPJAVSNNB-MRXNPFEDSA-N 1 2 332.488 3.838 20 0 EHADLO CC[N@H+](Cc1noc(C2CCC2)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000625156455 1129745905 /nfs/dbraw/zinc/74/59/05/1129745905.db2.gz YNMIJQRLOLFTKE-AWEZNQCLSA-N 1 2 329.444 3.799 20 0 EHADLO CC[N@@H+](Cc1noc(C2CCC2)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000625156455 1129745907 /nfs/dbraw/zinc/74/59/07/1129745907.db2.gz YNMIJQRLOLFTKE-AWEZNQCLSA-N 1 2 329.444 3.799 20 0 EHADLO CCCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673649439 1129752439 /nfs/dbraw/zinc/75/24/39/1129752439.db2.gz PAQJCCQRXXJNFO-UHFFFAOYSA-N 1 2 342.405 3.930 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625210206 1129761419 /nfs/dbraw/zinc/76/14/19/1129761419.db2.gz PHWDAIUXTRGUSF-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000126788762 1129761656 /nfs/dbraw/zinc/76/16/56/1129761656.db2.gz WXOLJBBTBCHDJR-CYBMUJFWSA-N 1 2 325.437 3.603 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000131343097 1129786173 /nfs/dbraw/zinc/78/61/73/1129786173.db2.gz SBHDUHNMZZJLRA-OAHLLOKOSA-N 1 2 332.492 3.696 20 0 EHADLO c1[nH]c2ncccc2c1C1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625254976 1129788302 /nfs/dbraw/zinc/78/83/02/1129788302.db2.gz VDJIBVVIMLDXQI-UHFFFAOYSA-N 1 2 337.427 3.593 20 0 EHADLO CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)c1cccc(O)c1 ZINC000673712090 1129807537 /nfs/dbraw/zinc/80/75/37/1129807537.db2.gz VCTBQRXARPVFJH-CYBMUJFWSA-N 1 2 342.468 3.832 20 0 EHADLO CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)c1cccc(O)c1 ZINC000673712090 1129807542 /nfs/dbraw/zinc/80/75/42/1129807542.db2.gz VCTBQRXARPVFJH-CYBMUJFWSA-N 1 2 342.468 3.832 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)c3ccccc3F)[nH+]c12 ZINC000673726432 1129812104 /nfs/dbraw/zinc/81/21/04/1129812104.db2.gz JHVBSMYOPRMHAU-OAHLLOKOSA-N 1 2 339.414 3.634 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H](Cc3ccccc3)C(C)C)[nH+]c12 ZINC000673726598 1129812526 /nfs/dbraw/zinc/81/25/26/1129812526.db2.gz LDXHAUBCDBWCOM-FQEVSTJZSA-N 1 2 349.478 3.816 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000073895680 1129813262 /nfs/dbraw/zinc/81/32/62/1129813262.db2.gz FHNGYXAUHKVDIH-HNNXBMFYSA-N 1 2 346.500 3.545 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000162212853 1129815303 /nfs/dbraw/zinc/81/53/03/1129815303.db2.gz DEOCSQSUONTWQJ-QGZVFWFLSA-N 1 2 340.471 3.685 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCCc1ccc(Cl)cc1Cl ZINC000673731091 1129818152 /nfs/dbraw/zinc/81/81/52/1129818152.db2.gz ONURNFZFLVQVNK-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000625323997 1129830809 /nfs/dbraw/zinc/83/08/09/1129830809.db2.gz RRSVPMAZFQWSEF-DLBZAZTESA-N 1 2 345.418 3.828 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000625323997 1129830815 /nfs/dbraw/zinc/83/08/15/1129830815.db2.gz RRSVPMAZFQWSEF-DLBZAZTESA-N 1 2 345.418 3.828 20 0 EHADLO Cc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(Cl)c1 ZINC000673758676 1129834119 /nfs/dbraw/zinc/83/41/19/1129834119.db2.gz VHHPQTQIIJLAJG-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCc4ccccc4[C@H]3C)[nH+]c12 ZINC000673780917 1129842613 /nfs/dbraw/zinc/84/26/13/1129842613.db2.gz GQKGAHXQRQLNPK-MRXNPFEDSA-N 1 2 348.450 3.514 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)CCO2 ZINC000186826007 1129850859 /nfs/dbraw/zinc/85/08/59/1129850859.db2.gz ISZLRVHXKBUNEC-CYBMUJFWSA-N 1 2 330.428 3.775 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2O1 ZINC000429152374 1129873176 /nfs/dbraw/zinc/87/31/76/1129873176.db2.gz WHCNBXQREMRBLU-CYBMUJFWSA-N 1 2 327.815 3.771 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2O1 ZINC000429152374 1129873181 /nfs/dbraw/zinc/87/31/81/1129873181.db2.gz WHCNBXQREMRBLU-CYBMUJFWSA-N 1 2 327.815 3.771 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000282463279 1129899703 /nfs/dbraw/zinc/89/97/03/1129899703.db2.gz LTUBNQXZXMOWKU-KGLIPLIRSA-N 1 2 344.484 3.782 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000543504435 1129904891 /nfs/dbraw/zinc/90/48/91/1129904891.db2.gz NDBCWACJTNSHCT-LPHOPBHVSA-N 1 2 342.487 3.724 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cs1 ZINC000282467650 1129909580 /nfs/dbraw/zinc/90/95/80/1129909580.db2.gz LLQNSEQXVQQFEQ-RHSMWYFYSA-N 1 2 339.464 3.705 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010412 1129957255 /nfs/dbraw/zinc/95/72/55/1129957255.db2.gz RHQQGKUPIPNBOX-LJQANCHMSA-N 1 2 344.405 3.760 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010412 1129957258 /nfs/dbraw/zinc/95/72/58/1129957258.db2.gz RHQQGKUPIPNBOX-LJQANCHMSA-N 1 2 344.405 3.760 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013529 1129959790 /nfs/dbraw/zinc/95/97/90/1129959790.db2.gz OMSYMAQPQVBBSU-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013529 1129959793 /nfs/dbraw/zinc/95/97/93/1129959793.db2.gz OMSYMAQPQVBBSU-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012576 1129960907 /nfs/dbraw/zinc/96/09/07/1129960907.db2.gz FBKQEIAPBZQRQX-KXBFYZLASA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012576 1129960908 /nfs/dbraw/zinc/96/09/08/1129960908.db2.gz FBKQEIAPBZQRQX-KXBFYZLASA-N 1 2 326.415 3.620 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000429204245 1129968553 /nfs/dbraw/zinc/96/85/53/1129968553.db2.gz JLCIZZSUEDSQOH-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO Cc1nc(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)co1 ZINC000625660271 1129972498 /nfs/dbraw/zinc/97/24/98/1129972498.db2.gz DLUJBVKXUDTLCH-UHFFFAOYSA-N 1 2 344.459 3.868 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559323 1129973653 /nfs/dbraw/zinc/97/36/53/1129973653.db2.gz QNFOQXIEGIBZAI-JOCHJYFZSA-N 1 2 347.462 3.706 20 0 EHADLO c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559323 1129973656 /nfs/dbraw/zinc/97/36/56/1129973656.db2.gz QNFOQXIEGIBZAI-JOCHJYFZSA-N 1 2 347.462 3.706 20 0 EHADLO O=C(Nc1ccccc1-c1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429212347 1129980943 /nfs/dbraw/zinc/98/09/43/1129980943.db2.gz GWSBJKIEWLLULD-MRXNPFEDSA-N 1 2 332.407 3.687 20 0 EHADLO Fc1cc(CNc2ncccc2Br)ccc1-n1cc[nH+]c1 ZINC000429212992 1129983671 /nfs/dbraw/zinc/98/36/71/1129983671.db2.gz JGBOHMRCYWIJAB-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO Brc1ccc(S[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000625704908 1129987618 /nfs/dbraw/zinc/98/76/18/1129987618.db2.gz NZCWZVOKLSONIG-CYBMUJFWSA-N 1 2 338.274 3.539 20 0 EHADLO Brc1ccc(S[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000625704908 1129987620 /nfs/dbraw/zinc/98/76/20/1129987620.db2.gz NZCWZVOKLSONIG-CYBMUJFWSA-N 1 2 338.274 3.539 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3ccccc3C)CC2)c1C ZINC000171029951 1130001788 /nfs/dbraw/zinc/00/17/88/1130001788.db2.gz OUOCGVQUSPCBAA-UHFFFAOYSA-N 1 2 338.451 3.706 20 0 EHADLO O=C(NCC1CC(c2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000282520568 1130004643 /nfs/dbraw/zinc/00/46/43/1130004643.db2.gz AADAKQIBIRYKGN-UHFFFAOYSA-N 1 2 345.446 3.855 20 0 EHADLO C[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000674107825 1130005724 /nfs/dbraw/zinc/00/57/24/1130005724.db2.gz YLDSURYURUCVOT-HOTGVXAUSA-N 1 2 330.472 3.845 20 0 EHADLO CC(C)(CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000674395952 1130084062 /nfs/dbraw/zinc/08/40/62/1130084062.db2.gz PYTALEDGSNXFRI-UHFFFAOYSA-N 1 2 340.471 3.667 20 0 EHADLO CC(C)(CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000674395952 1130084066 /nfs/dbraw/zinc/08/40/66/1130084066.db2.gz PYTALEDGSNXFRI-UHFFFAOYSA-N 1 2 340.471 3.667 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)s1 ZINC000429227870 1130089233 /nfs/dbraw/zinc/08/92/33/1130089233.db2.gz APOAKRKBXSQHKP-UHFFFAOYSA-N 1 2 348.346 3.566 20 0 EHADLO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc2[nH+]ccn2c1 ZINC000674569057 1130134977 /nfs/dbraw/zinc/13/49/77/1130134977.db2.gz RDMNDABZQCNHMS-VXGBXAGGSA-N 1 2 340.349 3.825 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@H]3C[C@H](C)n4ncnc43)c(C)c2c1 ZINC000658101643 1130158820 /nfs/dbraw/zinc/15/88/20/1130158820.db2.gz MIWUPIHRBUYMKQ-WBIUFABUSA-N 1 2 326.400 3.698 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674683258 1130172751 /nfs/dbraw/zinc/17/27/51/1130172751.db2.gz OMHAHQNLJBXOSG-UHFFFAOYSA-N 1 2 344.842 3.594 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674790518 1130195369 /nfs/dbraw/zinc/19/53/69/1130195369.db2.gz LDRVFQPBMRXSPZ-GFCCVEGCSA-N 1 2 329.400 3.840 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000674871227 1130213176 /nfs/dbraw/zinc/21/31/76/1130213176.db2.gz OEBNNQFKXKKEOL-HNNXBMFYSA-N 1 2 328.460 3.598 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000674871227 1130213183 /nfs/dbraw/zinc/21/31/83/1130213183.db2.gz OEBNNQFKXKKEOL-HNNXBMFYSA-N 1 2 328.460 3.598 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)nnn1-c1ccc(C)cc1 ZINC000658242145 1130303562 /nfs/dbraw/zinc/30/35/62/1130303562.db2.gz XYCQAKJOFRJGNU-JLTOFOAXSA-N 1 2 348.450 3.928 20 0 EHADLO COc1ccc(COCC[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000675309494 1130310233 /nfs/dbraw/zinc/31/02/33/1130310233.db2.gz MMFWEDHHXKJOPQ-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO COc1ccc(COCC[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000675309494 1130310240 /nfs/dbraw/zinc/31/02/40/1130310240.db2.gz MMFWEDHHXKJOPQ-DNVCBOLYSA-N 1 2 347.480 3.735 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000675832259 1130489199 /nfs/dbraw/zinc/48/91/99/1130489199.db2.gz LPWZVIRXDSOGDM-KGLIPLIRSA-N 1 2 341.436 3.928 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCC[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000675859628 1130494242 /nfs/dbraw/zinc/49/42/42/1130494242.db2.gz WNQTZQYVVZGSON-LJQANCHMSA-N 1 2 348.450 3.889 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048707 1130523636 /nfs/dbraw/zinc/52/36/36/1130523636.db2.gz QNBOKDKIFHMJEN-MAUKXSAKSA-N 1 2 342.487 3.795 20 0 EHADLO CC(C)C(NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000676263065 1130552413 /nfs/dbraw/zinc/55/24/13/1130552413.db2.gz RTZDKAWOULUHQL-MRXNPFEDSA-N 1 2 347.503 3.882 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1coc(-c2ccc(F)cc2)n1 ZINC000731029293 1130759549 /nfs/dbraw/zinc/75/95/49/1130759549.db2.gz RGRCJTDAQODJGR-UHFFFAOYSA-N 1 2 331.372 3.783 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)OCc1ccccc1 ZINC000731031415 1130762186 /nfs/dbraw/zinc/76/21/86/1130762186.db2.gz UYWFNLYGANUEOZ-FQEVSTJZSA-N 1 2 339.435 3.748 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000731031415 1130762191 /nfs/dbraw/zinc/76/21/91/1130762191.db2.gz UYWFNLYGANUEOZ-FQEVSTJZSA-N 1 2 339.435 3.748 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000731461762 1130799280 /nfs/dbraw/zinc/79/92/80/1130799280.db2.gz CGCOBCPLQDTUNJ-UHFFFAOYSA-N 1 2 345.786 3.715 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCOc3cccc(C)c3)ccc2[nH+]1 ZINC000731898627 1130859426 /nfs/dbraw/zinc/85/94/26/1130859426.db2.gz RPFGSGXIZADFGN-UHFFFAOYSA-N 1 2 338.411 3.542 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](c3ccco3)C2)nc(C2CC2)n1C1CC1 ZINC000732180999 1130893866 /nfs/dbraw/zinc/89/38/66/1130893866.db2.gz DWYMASPUWVTNNG-CYBMUJFWSA-N 1 2 330.457 3.666 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](c3ccco3)C2)nc(C2CC2)n1C1CC1 ZINC000732180999 1130893874 /nfs/dbraw/zinc/89/38/74/1130893874.db2.gz DWYMASPUWVTNNG-CYBMUJFWSA-N 1 2 330.457 3.666 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cn21 ZINC000732210476 1130897796 /nfs/dbraw/zinc/89/77/96/1130897796.db2.gz SQOBWEZCWLKIGV-LZJOCLMNSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccc2nc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cn21 ZINC000732210476 1130897802 /nfs/dbraw/zinc/89/78/02/1130897802.db2.gz SQOBWEZCWLKIGV-LZJOCLMNSA-N 1 2 335.451 3.993 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1C ZINC000732209577 1130898238 /nfs/dbraw/zinc/89/82/38/1130898238.db2.gz NFLLXSRGJSEVAP-CLCXKQKWSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1oc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1C ZINC000732209577 1130898245 /nfs/dbraw/zinc/89/82/45/1130898245.db2.gz NFLLXSRGJSEVAP-CLCXKQKWSA-N 1 2 343.423 3.725 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732985758 1130978724 /nfs/dbraw/zinc/97/87/24/1130978724.db2.gz HDYQWWMWPIFYRL-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732985758 1130978727 /nfs/dbraw/zinc/97/87/27/1130978727.db2.gz HDYQWWMWPIFYRL-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000348041641 1131135036 /nfs/dbraw/zinc/13/50/36/1131135036.db2.gz IBVJJNNGBGYZMH-AWEZNQCLSA-N 1 2 337.423 3.665 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000348041641 1131135039 /nfs/dbraw/zinc/13/50/39/1131135039.db2.gz IBVJJNNGBGYZMH-AWEZNQCLSA-N 1 2 337.423 3.665 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCCC(C)C)CC1 ZINC000348071239 1131138942 /nfs/dbraw/zinc/13/89/42/1131138942.db2.gz XKPICVTZDNAFOK-LJQANCHMSA-N 1 2 333.472 3.818 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282680197 1131147404 /nfs/dbraw/zinc/14/74/04/1131147404.db2.gz JQIDEPXKNFKSGF-NSHDSACASA-N 1 2 335.521 3.946 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177913454 1131228596 /nfs/dbraw/zinc/22/85/96/1131228596.db2.gz ANPINOVSVMXQNQ-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177913454 1131228601 /nfs/dbraw/zinc/22/86/01/1131228601.db2.gz ANPINOVSVMXQNQ-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(C3SCCCS3)cc2)[nH+]c1C ZINC000828157211 1131423495 /nfs/dbraw/zinc/42/34/95/1131423495.db2.gz VFWVVMBJTSPLTJ-UHFFFAOYSA-N 1 2 347.509 3.825 20 0 EHADLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)Cc2cccs2)cs1 ZINC000736609582 1131429537 /nfs/dbraw/zinc/42/95/37/1131429537.db2.gz AAYVZBBVAVCNFJ-JTQLQIEISA-N 1 2 325.459 3.543 20 0 EHADLO COc1ccccc1Cc1nn(C[N@H+](C)CC(C)(C)C)c(=S)o1 ZINC000738097217 1131461314 /nfs/dbraw/zinc/46/13/14/1131461314.db2.gz APLSEPVADAPRRF-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO COc1ccccc1Cc1nn(C[N@@H+](C)CC(C)(C)C)c(=S)o1 ZINC000738097217 1131461316 /nfs/dbraw/zinc/46/13/16/1131461316.db2.gz APLSEPVADAPRRF-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282803 1131465865 /nfs/dbraw/zinc/46/58/65/1131465865.db2.gz BSOZDQHQGBMNRN-OXJNMPFZSA-N 1 2 348.446 3.955 20 0 EHADLO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282803 1131465868 /nfs/dbraw/zinc/46/58/68/1131465868.db2.gz BSOZDQHQGBMNRN-OXJNMPFZSA-N 1 2 348.446 3.955 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2c(C)cccc2C)cc1OC ZINC000738289875 1131467787 /nfs/dbraw/zinc/46/77/87/1131467787.db2.gz UVWBGZWDADAVNC-UHFFFAOYSA-N 1 2 328.412 3.562 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861494 1131549618 /nfs/dbraw/zinc/54/96/18/1131549618.db2.gz WWWURKJESJDKQO-CHWSQXEVSA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000740861494 1131549622 /nfs/dbraw/zinc/54/96/22/1131549622.db2.gz WWWURKJESJDKQO-CHWSQXEVSA-N 1 2 332.473 3.621 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861157 1131554041 /nfs/dbraw/zinc/55/40/41/1131554041.db2.gz LIGNMIDBUGHJNO-MSOLQXFVSA-N 1 2 338.451 3.893 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)CN2c3cccc4cccc(c34)C2=O)C1(C)C ZINC000740861157 1131554045 /nfs/dbraw/zinc/55/40/45/1131554045.db2.gz LIGNMIDBUGHJNO-MSOLQXFVSA-N 1 2 338.451 3.893 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943223 1131559201 /nfs/dbraw/zinc/55/92/01/1131559201.db2.gz SZPNRAVLSPRFTC-OLZOCXBDSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943223 1131559204 /nfs/dbraw/zinc/55/92/04/1131559204.db2.gz SZPNRAVLSPRFTC-OLZOCXBDSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145005 1131583123 /nfs/dbraw/zinc/58/31/23/1131583123.db2.gz IVFODXKSQBUSFC-SMDDNHRTSA-N 1 2 337.370 3.520 20 0 EHADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145005 1131583126 /nfs/dbraw/zinc/58/31/26/1131583126.db2.gz IVFODXKSQBUSFC-SMDDNHRTSA-N 1 2 337.370 3.520 20 0 EHADLO CC/C(=C\C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000741513611 1131617235 /nfs/dbraw/zinc/61/72/35/1131617235.db2.gz VSFJBVRCGKFJOJ-FBMGVBCBSA-N 1 2 335.451 3.532 20 0 EHADLO Cc1cccc(C2(O)CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)c1C ZINC000741799643 1131651511 /nfs/dbraw/zinc/65/15/11/1131651511.db2.gz DDUMVJADWUVAHB-MRXNPFEDSA-N 1 2 343.471 3.854 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCOCC1 ZINC000742031164 1131684719 /nfs/dbraw/zinc/68/47/19/1131684719.db2.gz BFHSDNVYJOXTTE-HXUWFJFHSA-N 1 2 340.467 3.915 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1csc(COC)n1 ZINC000742348852 1131711638 /nfs/dbraw/zinc/71/16/38/1131711638.db2.gz OSSMKYYYVIMMLO-UHFFFAOYSA-N 1 2 330.457 3.900 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCN(C2CC2)CC1 ZINC001172571436 1131777759 /nfs/dbraw/zinc/77/77/59/1131777759.db2.gz OCOQYQKEZLLWRR-GFCCVEGCSA-N 1 2 328.834 3.719 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576442 1131780232 /nfs/dbraw/zinc/78/02/32/1131780232.db2.gz NDNGBTFWVQSBEE-MNOVXSKESA-N 1 2 333.806 3.869 20 0 EHADLO OCCc1ccc2c(c1)O[C@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)C1)O2 ZINC001172546975 1131783912 /nfs/dbraw/zinc/78/39/12/1131783912.db2.gz TZAVNPRGGXOUCW-DBXWQHBBSA-N 1 2 339.435 3.592 20 0 EHADLO C[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1(F)F ZINC001172813918 1131849684 /nfs/dbraw/zinc/84/96/84/1131849684.db2.gz QQYUCGBEXROZKZ-RDGKXADDSA-N 1 2 342.430 3.670 20 0 EHADLO C[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1(F)F ZINC001172813918 1131849691 /nfs/dbraw/zinc/84/96/91/1131849691.db2.gz QQYUCGBEXROZKZ-RDGKXADDSA-N 1 2 342.430 3.670 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172859199 1131878297 /nfs/dbraw/zinc/87/82/97/1131878297.db2.gz YOORYDWRAYBFDU-LBPRGKRZSA-N 1 2 336.842 3.641 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172859199 1131878308 /nfs/dbraw/zinc/87/83/08/1131878308.db2.gz YOORYDWRAYBFDU-LBPRGKRZSA-N 1 2 336.842 3.641 20 0 EHADLO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001172924903 1131907248 /nfs/dbraw/zinc/90/72/48/1131907248.db2.gz ZKXDRMIZXBOAAZ-QRVBRYPASA-N 1 2 347.499 3.877 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC4(C3)CCOCC4)c(=S)o2)cc1 ZINC000743405514 1131917075 /nfs/dbraw/zinc/91/70/75/1131917075.db2.gz NJZDFYAAZMYNIB-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC4(C3)CCOCC4)c(=S)o2)cc1 ZINC000743405514 1131917082 /nfs/dbraw/zinc/91/70/82/1131917082.db2.gz NJZDFYAAZMYNIB-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212699115 1131933721 /nfs/dbraw/zinc/93/37/21/1131933721.db2.gz OPPRCWBMCXTMKT-UHFFFAOYSA-N 1 2 339.370 3.991 20 0 EHADLO CN1CCN(c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2)C1=O ZINC001212698373 1131936743 /nfs/dbraw/zinc/93/67/43/1131936743.db2.gz QFSSHSBBRCJXJE-UHFFFAOYSA-N 1 2 347.422 3.547 20 0 EHADLO COCCOc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212697937 1131937218 /nfs/dbraw/zinc/93/72/18/1131937218.db2.gz CMIBZSOZXQKGQV-UHFFFAOYSA-N 1 2 341.386 3.839 20 0 EHADLO OCCc1ccc2c(c1)O[C@H]([NH2+]C1CCC3(CCCCC3)CC1)O2 ZINC001173119188 1131972856 /nfs/dbraw/zinc/97/28/56/1131972856.db2.gz ZOTUIQDUDGNVJE-LJQANCHMSA-N 1 2 331.456 3.759 20 0 EHADLO CC(C)CC[C@@H]([NH2+][C@@H]1CCc2ncsc2C1)C(=O)OC(C)(C)C ZINC001173130344 1131975747 /nfs/dbraw/zinc/97/57/47/1131975747.db2.gz WGYNVBNGMLWZKY-UKRRQHHQSA-N 1 2 338.517 3.737 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(CC)cc1)[C@H]2C ZINC001173240028 1132027111 /nfs/dbraw/zinc/02/71/11/1132027111.db2.gz MNDYOOSVIROIRK-IRXDYDNUSA-N 1 2 341.499 3.990 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(CC)cc1)[C@H]2C ZINC001173240028 1132027118 /nfs/dbraw/zinc/02/71/18/1132027118.db2.gz MNDYOOSVIROIRK-IRXDYDNUSA-N 1 2 341.499 3.990 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443715 1132101418 /nfs/dbraw/zinc/10/14/18/1132101418.db2.gz NFJCJWMKOXNQOU-DGCLKSJQSA-N 1 2 337.880 3.530 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000744443715 1132101421 /nfs/dbraw/zinc/10/14/21/1132101421.db2.gz NFJCJWMKOXNQOU-DGCLKSJQSA-N 1 2 337.880 3.530 20 0 EHADLO Cc1cc(C)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001173830957 1132162447 /nfs/dbraw/zinc/16/24/47/1132162447.db2.gz LKTHISYRMXVFMG-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000745088876 1132190944 /nfs/dbraw/zinc/19/09/44/1132190944.db2.gz XKDGKKWSOZNJSR-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000745088876 1132190948 /nfs/dbraw/zinc/19/09/48/1132190948.db2.gz XKDGKKWSOZNJSR-QGZVFWFLSA-N 1 2 328.412 3.568 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745086357 1132191513 /nfs/dbraw/zinc/19/15/13/1132191513.db2.gz QSUNGJLJFONEFP-INIZCTEOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745086357 1132191518 /nfs/dbraw/zinc/19/15/18/1132191518.db2.gz QSUNGJLJFONEFP-INIZCTEOSA-N 1 2 348.830 3.913 20 0 EHADLO COc1ccc(OC)c(OC)c1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001174055105 1132209871 /nfs/dbraw/zinc/20/98/71/1132209871.db2.gz FJWVKDXPGXZISV-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1OC ZINC001174016230 1132215148 /nfs/dbraw/zinc/21/51/48/1132215148.db2.gz ROKNDJOJEHBZCQ-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO COc1cc(F)ccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001174129011 1132246406 /nfs/dbraw/zinc/24/64/06/1132246406.db2.gz SYFLMGSZCPYGKG-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO c1cc2cnccc2c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174137281 1132250181 /nfs/dbraw/zinc/25/01/81/1132250181.db2.gz ZCPWETHRUBGKSB-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cnc(Br)cn3)ccc21 ZINC001174381832 1132343968 /nfs/dbraw/zinc/34/39/68/1132343968.db2.gz QGIFQEHMSNJEDN-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO CNC(=O)c1ccc(F)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174383004 1132345009 /nfs/dbraw/zinc/34/50/09/1132345009.db2.gz IINZNHUXCUZEMK-UHFFFAOYSA-N 1 2 326.375 3.860 20 0 EHADLO COc1ccc(Cn2cc(Nc3[nH+]c4ccccc4n3C)cn2)cc1 ZINC001174434996 1132354336 /nfs/dbraw/zinc/35/43/36/1132354336.db2.gz IVAANTSDZLZZLT-UHFFFAOYSA-N 1 2 333.395 3.570 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183387283 1132363830 /nfs/dbraw/zinc/36/38/30/1132363830.db2.gz ICPYPAKDLMGZLA-DOMZBBRYSA-N 1 2 333.407 3.721 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183387283 1132363835 /nfs/dbraw/zinc/36/38/35/1132363835.db2.gz ICPYPAKDLMGZLA-DOMZBBRYSA-N 1 2 333.407 3.721 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1O ZINC001174415711 1132367918 /nfs/dbraw/zinc/36/79/18/1132367918.db2.gz RUXCRKPNGBKTMQ-UHFFFAOYSA-N 1 2 325.368 3.919 20 0 EHADLO COC(=O)c1cnc(Cl)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522810 1132400718 /nfs/dbraw/zinc/40/07/18/1132400718.db2.gz QOIVRWSTQNLKNH-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO CNc1ccc(C(=O)OC)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524122 1132401549 /nfs/dbraw/zinc/40/15/49/1132401549.db2.gz FMZNNRYSTGODLR-UHFFFAOYSA-N 1 2 340.427 3.644 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2nc3ccccc3nc2C)o1 ZINC000184856877 1132411475 /nfs/dbraw/zinc/41/14/75/1132411475.db2.gz HCOZPEPCCFCETA-GOSISDBHSA-N 1 2 325.412 3.571 20 0 EHADLO c1nn([C@@H]2CCCCO2)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001174600269 1132425336 /nfs/dbraw/zinc/42/53/36/1132425336.db2.gz WAACMPSHEXDVGX-KRWDZBQOSA-N 1 2 327.432 3.711 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000189096647 1132441940 /nfs/dbraw/zinc/44/19/40/1132441940.db2.gz XHWHOHAFMMBBPV-IBGZPJMESA-N 1 2 337.398 3.582 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000189096647 1132441944 /nfs/dbraw/zinc/44/19/44/1132441944.db2.gz XHWHOHAFMMBBPV-IBGZPJMESA-N 1 2 337.398 3.582 20 0 EHADLO CC(C)CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001174704711 1132446905 /nfs/dbraw/zinc/44/69/05/1132446905.db2.gz KCDNUPMBBZKKFF-BMGDILEWSA-N 1 2 325.880 3.899 20 0 EHADLO CC(C)CC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001174704711 1132446910 /nfs/dbraw/zinc/44/69/10/1132446910.db2.gz KCDNUPMBBZKKFF-BMGDILEWSA-N 1 2 325.880 3.899 20 0 EHADLO CCN(c1ccccc1)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193365550 1132480723 /nfs/dbraw/zinc/48/07/23/1132480723.db2.gz PRNGDHMOPXNMDH-UHFFFAOYSA-N 1 2 348.450 3.817 20 0 EHADLO CCN(c1ccccc1)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193365550 1132480733 /nfs/dbraw/zinc/48/07/33/1132480733.db2.gz PRNGDHMOPXNMDH-UHFFFAOYSA-N 1 2 348.450 3.817 20 0 EHADLO C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000193413597 1132481053 /nfs/dbraw/zinc/48/10/53/1132481053.db2.gz HGNOIXXROZUHJG-GFCCVEGCSA-N 1 2 339.361 3.671 20 0 EHADLO C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000193413597 1132481057 /nfs/dbraw/zinc/48/10/57/1132481057.db2.gz HGNOIXXROZUHJG-GFCCVEGCSA-N 1 2 339.361 3.671 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)c(F)c1 ZINC000194407847 1132488483 /nfs/dbraw/zinc/48/84/83/1132488483.db2.gz FMUFYYBMCDDEMC-GOSISDBHSA-N 1 2 343.377 3.832 20 0 EHADLO FC1(F)CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000390030466 1132513140 /nfs/dbraw/zinc/51/31/40/1132513140.db2.gz XTYLDFWECQFUGX-UHFFFAOYSA-N 1 2 329.354 3.805 20 0 EHADLO CCOc1cc(F)cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001175003033 1132526656 /nfs/dbraw/zinc/52/66/56/1132526656.db2.gz CKDNAKDYSPZZMM-OKILXGFUSA-N 1 2 345.418 3.977 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000766397227 1132528774 /nfs/dbraw/zinc/52/87/74/1132528774.db2.gz PAAXETMWWOHDOW-CRAIPNDOSA-N 1 2 325.412 3.812 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000766397231 1132529290 /nfs/dbraw/zinc/52/92/90/1132529290.db2.gz PAAXETMWWOHDOW-QAPCUYQASA-N 1 2 325.412 3.812 20 0 EHADLO COc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C ZINC001175012954 1132529970 /nfs/dbraw/zinc/52/99/70/1132529970.db2.gz QLUIIIIBRHRYLR-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO COc1ccc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)c(Br)c1 ZINC001168793172 1132542786 /nfs/dbraw/zinc/54/27/86/1132542786.db2.gz KZRNPUSRSJMPRC-NSHDSACASA-N 1 2 338.249 3.648 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2c(ccnc2Cl)s1 ZINC001150468716 1132563803 /nfs/dbraw/zinc/56/38/03/1132563803.db2.gz NXJUSWIPGOSZRJ-UHFFFAOYSA-N 1 2 342.811 3.527 20 0 EHADLO Cc1cc2c(CC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)csc2s1 ZINC000866981910 1132595541 /nfs/dbraw/zinc/59/55/41/1132595541.db2.gz NYFLWLHPHXFVJH-LBPRGKRZSA-N 1 2 345.493 3.563 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301173 1132609700 /nfs/dbraw/zinc/60/97/00/1132609700.db2.gz NXWYQSGRDXRAAN-GWCFXTLKSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301173 1132609705 /nfs/dbraw/zinc/60/97/05/1132609705.db2.gz NXWYQSGRDXRAAN-GWCFXTLKSA-N 1 2 328.243 3.640 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3c(F)ccc(O)c3F)c2c1 ZINC001175265185 1132622708 /nfs/dbraw/zinc/62/27/08/1132622708.db2.gz DCTPKJNVYMDSBI-UHFFFAOYSA-N 1 2 344.317 3.561 20 0 EHADLO O[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1Oc1ccccc1 ZINC001175267964 1132623730 /nfs/dbraw/zinc/62/37/30/1132623730.db2.gz KPSDLGUWPYDKGL-HZPDHXFCSA-N 1 2 338.234 3.618 20 0 EHADLO O[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1Oc1ccccc1 ZINC001175267964 1132623737 /nfs/dbraw/zinc/62/37/37/1132623737.db2.gz KPSDLGUWPYDKGL-HZPDHXFCSA-N 1 2 338.234 3.618 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NCc2ccccc2-n2cccn2)c1 ZINC001168974303 1132624765 /nfs/dbraw/zinc/62/47/65/1132624765.db2.gz NBMVCEUMIDVQAU-UHFFFAOYSA-N 1 2 329.407 3.885 20 0 EHADLO Cc1cc(NCc2ccccc2-n2cccn2)cc(OC(F)F)[nH+]1 ZINC001168974277 1132624908 /nfs/dbraw/zinc/62/49/08/1132624908.db2.gz MMUFTUJUOIJESU-UHFFFAOYSA-N 1 2 330.338 3.789 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cc(Br)cc2F)c[nH+]1 ZINC001175341254 1132626086 /nfs/dbraw/zinc/62/60/86/1132626086.db2.gz FRSPXRZVMRKJMD-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO CN(C)c1ccc(Nc2cc(Br)c(F)cc2F)c[nH+]1 ZINC001175342424 1132626702 /nfs/dbraw/zinc/62/67/02/1132626702.db2.gz PEPPRAJZEQSATE-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)s1 ZINC001175346189 1132629130 /nfs/dbraw/zinc/62/91/30/1132629130.db2.gz NRQLQXDUDIEKNB-UHFFFAOYSA-N 1 2 337.832 3.927 20 0 EHADLO COc1ccccc1-n1nc(C)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347923 1132630100 /nfs/dbraw/zinc/63/01/00/1132630100.db2.gz XXAZIPSWOLHPAQ-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COc1ccc([C@H](OC(=O)CCCn2cc[nH+]c2)C2CC2)c(C)c1 ZINC000766605079 1132668837 /nfs/dbraw/zinc/66/88/37/1132668837.db2.gz CGQMYCUMYJLNPJ-LJQANCHMSA-N 1 2 328.412 3.675 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001175462356 1132673350 /nfs/dbraw/zinc/67/33/50/1132673350.db2.gz QIWAFFVTYUHKTB-KRWDZBQOSA-N 1 2 340.492 3.906 20 0 EHADLO C[C@@H](CCSc1ccccc1)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001175462356 1132673354 /nfs/dbraw/zinc/67/33/54/1132673354.db2.gz QIWAFFVTYUHKTB-KRWDZBQOSA-N 1 2 340.492 3.906 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491778 1132682367 /nfs/dbraw/zinc/68/23/67/1132682367.db2.gz LSMJQNOBBVHAIO-CTNGQTDRSA-N 1 2 344.474 3.881 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@](F)(c3ccccc3)C2)CCN1C1CCCCC1 ZINC001175491778 1132682371 /nfs/dbraw/zinc/68/23/71/1132682371.db2.gz LSMJQNOBBVHAIO-CTNGQTDRSA-N 1 2 344.474 3.881 20 0 EHADLO COC(=O)[C@H](CC1CCCCC1)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001169161632 1132683393 /nfs/dbraw/zinc/68/33/93/1132683393.db2.gz WYXJYAODEFCYOI-ZDUSSCGKSA-N 1 2 345.365 3.607 20 0 EHADLO Cc1cc2cc(NCc3cc(C)c(Br)cn3)[nH+]cc2[nH]1 ZINC001169204212 1132694238 /nfs/dbraw/zinc/69/42/38/1132694238.db2.gz SMAZZYMICILQGU-UHFFFAOYSA-N 1 2 331.217 3.949 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001175602938 1132710239 /nfs/dbraw/zinc/71/02/39/1132710239.db2.gz FGECLFLQAAGKTL-UHFFFAOYSA-N 1 2 326.787 3.624 20 0 EHADLO COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@H]3C[C@@H](C)c4ccccc43)c12 ZINC001169373877 1132736014 /nfs/dbraw/zinc/73/60/14/1132736014.db2.gz LBLWLFLJTYYENL-PXAZEXFGSA-N 1 2 335.407 3.939 20 0 EHADLO COc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c2ncccc12 ZINC001175713481 1132740173 /nfs/dbraw/zinc/74/01/73/1132740173.db2.gz AKWSKBYLLGHSPT-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2C)c2ccccc2N1Cc1ccccc1 ZINC001169394884 1132746536 /nfs/dbraw/zinc/74/65/36/1132746536.db2.gz AEVCBHWXVUTDAA-KRWDZBQOSA-N 1 2 332.451 3.835 20 0 EHADLO CC(C)Sc1ccc(C(=O)NCCCN(C)c2cccc[nH+]2)cc1 ZINC001175707567 1132754679 /nfs/dbraw/zinc/75/46/79/1132754679.db2.gz KMSSNSUFBUHWMI-UHFFFAOYSA-N 1 2 343.496 3.838 20 0 EHADLO Cc1nc(Br)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709865 1132755943 /nfs/dbraw/zinc/75/59/43/1132755943.db2.gz NLVHKFOZSPOZFB-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@H](C)c3cnccn3)ccc21 ZINC001169533548 1132779427 /nfs/dbraw/zinc/77/94/27/1132779427.db2.gz NDHZATXQEHINTA-CQSZACIVSA-N 1 2 345.406 3.997 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2ncn(C(=O)OC(C)(C)C)c2c1 ZINC001176125191 1132854817 /nfs/dbraw/zinc/85/48/17/1132854817.db2.gz ZQUXTSVRZLGGPO-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc4c(cn3)OCCC4)cc2)[nH+]c1C ZINC001176211716 1132874603 /nfs/dbraw/zinc/87/46/03/1132874603.db2.gz XCBVIFFHWMISGJ-UHFFFAOYSA-N 1 2 348.406 3.666 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000767044581 1132934675 /nfs/dbraw/zinc/93/46/75/1132934675.db2.gz DVSDRKUMZHRIKT-LLVKDONJSA-N 1 2 344.212 3.588 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2c(C)oc3ccccc32)c1C ZINC000767071812 1132941679 /nfs/dbraw/zinc/94/16/79/1132941679.db2.gz MGYGJSSBQWAUQD-UHFFFAOYSA-N 1 2 338.407 3.621 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccnc(F)c1 ZINC000767090538 1132947977 /nfs/dbraw/zinc/94/79/77/1132947977.db2.gz FKDDVLAOBUDOOW-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CC(C)(C)Oc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001176637567 1132974813 /nfs/dbraw/zinc/97/48/13/1132974813.db2.gz UHVZPHFUGWKVHR-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001176639544 1132975117 /nfs/dbraw/zinc/97/51/17/1132975117.db2.gz JUINAONRJZPGEZ-BLIJAFNYSA-N 1 2 340.389 3.575 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001176639544 1132975121 /nfs/dbraw/zinc/97/51/21/1132975121.db2.gz JUINAONRJZPGEZ-BLIJAFNYSA-N 1 2 340.389 3.575 20 0 EHADLO COc1cccc(-n2nc(C)cc2Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749353 1132991960 /nfs/dbraw/zinc/99/19/60/1132991960.db2.gz DPWFKTRODYHQIK-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COc1ccccc1-n1nc(C)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750583 1132992857 /nfs/dbraw/zinc/99/28/57/1132992857.db2.gz ZOBNDUXYDPNGKO-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COCCCOc1ccc(F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750994 1132993312 /nfs/dbraw/zinc/99/33/12/1132993312.db2.gz QFBSPKZPTOBUOK-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cc1nc(Br)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750465 1132993317 /nfs/dbraw/zinc/99/33/17/1132993317.db2.gz ULBAONLXCKCEJE-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO O[C@@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000767384583 1132995000 /nfs/dbraw/zinc/99/50/00/1132995000.db2.gz RCMFYZXRVGJMFC-SFHVURJKSA-N 1 2 338.382 3.945 20 0 EHADLO COCOc1ccc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001176717067 1132996557 /nfs/dbraw/zinc/99/65/57/1132996557.db2.gz AQIRFOYYRQUXQH-UHFFFAOYSA-N 1 2 327.359 3.797 20 0 EHADLO CC(C)(C)C1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC001176959310 1133016171 /nfs/dbraw/zinc/01/61/71/1133016171.db2.gz VNTITURVMWWTCQ-INIZCTEOSA-N 1 2 329.488 3.583 20 0 EHADLO Nc1cccc2cccc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)c12 ZINC001176967652 1133017446 /nfs/dbraw/zinc/01/74/46/1133017446.db2.gz SHJPZURQFRPCOX-MRXNPFEDSA-N 1 2 346.434 3.672 20 0 EHADLO COc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C1CC1 ZINC000767684410 1133038749 /nfs/dbraw/zinc/03/87/49/1133038749.db2.gz OXLOGRKXGUGYLI-SFHVURJKSA-N 1 2 341.455 3.614 20 0 EHADLO CCC[C@H](C[NH2+]c1ccc(N2CCNC(=O)C2)cc1)c1ccccc1 ZINC001177345486 1133057526 /nfs/dbraw/zinc/05/75/26/1133057526.db2.gz NLSGAYBNCQQAEX-GOSISDBHSA-N 1 2 337.467 3.619 20 0 EHADLO Cc1c(NC(=O)CN(C)c2cccc[nH+]2)snc1-c1ccccc1 ZINC001177409344 1133062997 /nfs/dbraw/zinc/06/29/97/1133062997.db2.gz METSWUBPVJRPAK-UHFFFAOYSA-N 1 2 338.436 3.588 20 0 EHADLO O=C(C1CCCCC1)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001204202606 1133096703 /nfs/dbraw/zinc/09/67/03/1133096703.db2.gz OCGIUICFGXJNHY-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO O=C(C1CCCCC1)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001204202606 1133096707 /nfs/dbraw/zinc/09/67/07/1133096707.db2.gz OCGIUICFGXJNHY-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO CC1(C)CC([NH2+]C2(c3ccccc3Cl)COC2)CC(C)(C)N1O ZINC001169985084 1133096897 /nfs/dbraw/zinc/09/68/97/1133096897.db2.gz ZDWYIIAJEOCUST-UHFFFAOYSA-N 1 2 338.879 3.566 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000768138944 1133100602 /nfs/dbraw/zinc/10/06/02/1133100602.db2.gz SLZFVGNAWFEJFD-HWPRWLFBSA-N 1 2 335.860 3.554 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768163169 1133103094 /nfs/dbraw/zinc/10/30/94/1133103094.db2.gz VZCPFDDUDXEDDA-CQSZACIVSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768163169 1133103096 /nfs/dbraw/zinc/10/30/96/1133103096.db2.gz VZCPFDDUDXEDDA-CQSZACIVSA-N 1 2 342.443 3.807 20 0 EHADLO C[N@@H+](Cc1ccnc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768162300 1133103392 /nfs/dbraw/zinc/10/33/92/1133103392.db2.gz YRMCIRWUUFVLPE-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO C[N@H+](Cc1ccnc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768162300 1133103397 /nfs/dbraw/zinc/10/33/97/1133103397.db2.gz YRMCIRWUUFVLPE-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO Cc1cc(C)c(C=CC[NH2+]Cc2n[nH]cc2Br)c(C)c1 ZINC001177918931 1133113992 /nfs/dbraw/zinc/11/39/92/1133113992.db2.gz GOJZDWVNNCORIV-PLNGDYQASA-N 1 2 334.261 3.900 20 0 EHADLO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001177997470 1133122361 /nfs/dbraw/zinc/12/23/61/1133122361.db2.gz CHMUQPCMMBQJFL-UHFFFAOYSA-N 1 2 348.450 3.889 20 0 EHADLO CCc1cnc(CNc2ccccc2OCCn2cc[nH+]c2)s1 ZINC001178110894 1133132642 /nfs/dbraw/zinc/13/26/42/1133132642.db2.gz DNQXXXUXSJZHPO-UHFFFAOYSA-N 1 2 328.441 3.593 20 0 EHADLO Cn1c2ccccc2cc(CNc2ccc([NH+]3CCCC3)cc2)c1=O ZINC001178124512 1133138247 /nfs/dbraw/zinc/13/82/47/1133138247.db2.gz HTJUHBBZTRJTRR-UHFFFAOYSA-N 1 2 333.435 3.751 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000768598432 1133161392 /nfs/dbraw/zinc/16/13/92/1133161392.db2.gz YRPOXQWNNSHTIH-AWEZNQCLSA-N 1 2 335.879 3.846 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000768598432 1133161397 /nfs/dbraw/zinc/16/13/97/1133161397.db2.gz YRPOXQWNNSHTIH-AWEZNQCLSA-N 1 2 335.879 3.846 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H]1CCC1CCCCC1)C[NH+]1CCOCC1 ZINC001150805879 1133178646 /nfs/dbraw/zinc/17/86/46/1133178646.db2.gz KVSCHGPRZYXVTE-IETCZJMGSA-N 1 2 348.531 3.616 20 0 EHADLO CCc1[nH]c(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC001178669346 1133188524 /nfs/dbraw/zinc/18/85/24/1133188524.db2.gz GNFDHJDGPXJWHX-NSHDSACASA-N 1 2 339.361 3.801 20 0 EHADLO CCc1[nH]cc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC001178669346 1133188528 /nfs/dbraw/zinc/18/85/28/1133188528.db2.gz GNFDHJDGPXJWHX-NSHDSACASA-N 1 2 339.361 3.801 20 0 EHADLO CO[C@](C)(C(=O)Nc1ccn2cc[nH+]c2c1)c1cccc2ccccc21 ZINC001178674734 1133189787 /nfs/dbraw/zinc/18/97/87/1133189787.db2.gz LKMFICRVIHQLHQ-NRFANRHFSA-N 1 2 345.402 3.988 20 0 EHADLO CCOC(=O)c1c2ccccc2sc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178691382 1133191007 /nfs/dbraw/zinc/19/10/07/1133191007.db2.gz ODFLQEJVISFYBR-CYBMUJFWSA-N 1 2 346.452 3.501 20 0 EHADLO CCOC(=O)c1c2ccccc2sc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178691382 1133191009 /nfs/dbraw/zinc/19/10/09/1133191009.db2.gz ODFLQEJVISFYBR-CYBMUJFWSA-N 1 2 346.452 3.501 20 0 EHADLO O=C1CC2(CCC2)N1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000768907126 1133200818 /nfs/dbraw/zinc/20/08/18/1133200818.db2.gz LSRHRJBHHNYWHD-UHFFFAOYSA-N 1 2 332.394 3.557 20 0 EHADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc(Oc2ccccc2)o1 ZINC001178922318 1133214022 /nfs/dbraw/zinc/21/40/22/1133214022.db2.gz KDHHFZVJLNULCG-UHFFFAOYSA-N 1 2 337.379 3.604 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179087877 1133227398 /nfs/dbraw/zinc/22/73/98/1133227398.db2.gz HRKVEWKURNPGET-LBPRGKRZSA-N 1 2 335.835 3.579 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179087877 1133227407 /nfs/dbraw/zinc/22/74/07/1133227407.db2.gz HRKVEWKURNPGET-LBPRGKRZSA-N 1 2 335.835 3.579 20 0 EHADLO Cc1cccn2c(CN[C@H](CCc3ccccc3)C(F)F)c[nH+]c12 ZINC001179159778 1133233305 /nfs/dbraw/zinc/23/33/05/1133233305.db2.gz RAZRLMSTBBDQCH-QGZVFWFLSA-N 1 2 329.394 3.999 20 0 EHADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769164952 1133238073 /nfs/dbraw/zinc/23/80/73/1133238073.db2.gz VZTOISUZSANVTE-HNNXBMFYSA-N 1 2 337.467 3.968 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2nnc3ccccn32)cc(C)c1OC(F)F ZINC000769203232 1133243628 /nfs/dbraw/zinc/24/36/28/1133243628.db2.gz MPSBBILXGBPVOA-UHFFFAOYSA-N 1 2 346.381 3.580 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2nnc3ccccn32)cc(C)c1OC(F)F ZINC000769203232 1133243631 /nfs/dbraw/zinc/24/36/31/1133243631.db2.gz MPSBBILXGBPVOA-UHFFFAOYSA-N 1 2 346.381 3.580 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)cnc2n1 ZINC000769429116 1133283411 /nfs/dbraw/zinc/28/34/11/1133283411.db2.gz VJYORPSKVIQJBT-GOSISDBHSA-N 1 2 342.393 3.961 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)cnc2n1 ZINC000769429116 1133283418 /nfs/dbraw/zinc/28/34/18/1133283418.db2.gz VJYORPSKVIQJBT-GOSISDBHSA-N 1 2 342.393 3.961 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(=O)OCC)o1)C2 ZINC001179981237 1133309782 /nfs/dbraw/zinc/30/97/82/1133309782.db2.gz WDBJCTATGIIYGG-UHFFFAOYSA-N 1 2 343.423 3.803 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)OCC)o1)C2 ZINC001179981237 1133309784 /nfs/dbraw/zinc/30/97/84/1133309784.db2.gz WDBJCTATGIIYGG-UHFFFAOYSA-N 1 2 343.423 3.803 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](Cc1ccnn1CC1CCC1)CC2 ZINC001179988720 1133310883 /nfs/dbraw/zinc/31/08/83/1133310883.db2.gz GVGBFRAWFCHFPK-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](Cc1ccnn1CC1CCC1)CC2 ZINC001179988720 1133310885 /nfs/dbraw/zinc/31/08/85/1133310885.db2.gz GVGBFRAWFCHFPK-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO COc1nc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)ccc1C ZINC001180149348 1133339922 /nfs/dbraw/zinc/33/99/22/1133339922.db2.gz VQVUGOQGTFHOQP-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)ccc1C ZINC001180149348 1133339931 /nfs/dbraw/zinc/33/99/31/1133339931.db2.gz VQVUGOQGTFHOQP-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)o1 ZINC001180412638 1133372214 /nfs/dbraw/zinc/37/22/14/1133372214.db2.gz CELDEQPNEKMWRX-UHFFFAOYSA-N 1 2 334.847 3.650 20 0 EHADLO CSc1ccc(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)o1 ZINC001180452890 1133377526 /nfs/dbraw/zinc/37/75/26/1133377526.db2.gz QLTSRTCTBCIPFS-UHFFFAOYSA-N 1 2 327.453 3.878 20 0 EHADLO CSc1ccc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)o1 ZINC001180452890 1133377531 /nfs/dbraw/zinc/37/75/31/1133377531.db2.gz QLTSRTCTBCIPFS-UHFFFAOYSA-N 1 2 327.453 3.878 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)CCc2ccc(Oc3ccccc3)cc2)c1 ZINC001180929921 1133430736 /nfs/dbraw/zinc/43/07/36/1133430736.db2.gz BOLJFNHYXQPGHR-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO CC1(CCC(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)CC1 ZINC001181360862 1133480433 /nfs/dbraw/zinc/48/04/33/1133480433.db2.gz YSZQYWBFQAGZIG-UHFFFAOYSA-N 1 2 345.874 3.824 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Oc2ccccc2)nc1 ZINC000770921710 1133483962 /nfs/dbraw/zinc/48/39/62/1133483962.db2.gz DOJWYEXMLZDHIA-UHFFFAOYSA-N 1 2 345.358 3.879 20 0 EHADLO Cc1oc(-c2ccccc2)nc1CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770923442 1133484754 /nfs/dbraw/zinc/48/47/54/1133484754.db2.gz ZKUDUKBZMGGLEC-UHFFFAOYSA-N 1 2 347.374 3.584 20 0 EHADLO CCCCCC[C@@](C)(CCC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771034077 1133501875 /nfs/dbraw/zinc/50/18/75/1133501875.db2.gz PTCMQVCKXUZFRH-UYAOXDASSA-N 1 2 338.536 3.696 20 0 EHADLO CCC1(CC)C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181879527 1133545804 /nfs/dbraw/zinc/54/58/04/1133545804.db2.gz SMBBIBCRKZIVIP-UFUQCMIWSA-N 1 2 326.484 3.670 20 0 EHADLO CCC(CC)n1ccc(COC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000771365329 1133546330 /nfs/dbraw/zinc/54/63/30/1133546330.db2.gz CPWSGFBPGYYPCB-LJQANCHMSA-N 1 2 343.471 3.980 20 0 EHADLO CCC(CC)n1ccc(COC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000771365329 1133546336 /nfs/dbraw/zinc/54/63/36/1133546336.db2.gz CPWSGFBPGYYPCB-LJQANCHMSA-N 1 2 343.471 3.980 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)o1 ZINC000771465874 1133566648 /nfs/dbraw/zinc/56/66/48/1133566648.db2.gz XAMIGRXRNRNWNY-UHFFFAOYSA-N 1 2 340.423 3.859 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)o1 ZINC000771465874 1133566653 /nfs/dbraw/zinc/56/66/53/1133566653.db2.gz XAMIGRXRNRNWNY-UHFFFAOYSA-N 1 2 340.423 3.859 20 0 EHADLO C[C@@H](c1nc(C(C)(C)c2ccc(OC(F)(F)F)cc2)no1)[NH+](C)C ZINC000771668592 1133582295 /nfs/dbraw/zinc/58/22/95/1133582295.db2.gz HOJMJLNXOUUFSV-JTQLQIEISA-N 1 2 343.349 3.917 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cnc(C)c(C)n1)c1ccccc1Cl ZINC001182218462 1133598305 /nfs/dbraw/zinc/59/83/05/1133598305.db2.gz KUMFXTNRLOZZCF-KRWDZBQOSA-N 1 2 346.862 3.768 20 0 EHADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCCn1cc[nH+]c1 ZINC000771874899 1133605378 /nfs/dbraw/zinc/60/53/78/1133605378.db2.gz KEVICVULQPYMGH-UHFFFAOYSA-N 1 2 347.827 3.825 20 0 EHADLO CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Cl)c(C)c3)CC2)CC1 ZINC001182433143 1133657031 /nfs/dbraw/zinc/65/70/31/1133657031.db2.gz IDLHWILFJYPWKS-UHFFFAOYSA-N 1 2 349.950 3.640 20 0 EHADLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464491 1133683143 /nfs/dbraw/zinc/68/31/43/1133683143.db2.gz LDQLOCGGTYAXTR-MNOVXSKESA-N 1 2 345.270 3.549 20 0 EHADLO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464491 1133683147 /nfs/dbraw/zinc/68/31/47/1133683147.db2.gz LDQLOCGGTYAXTR-MNOVXSKESA-N 1 2 345.270 3.549 20 0 EHADLO Cc1ccc(Nc2ccc(O)c(I)c2)c(C)[nH+]1 ZINC001203372655 1133692635 /nfs/dbraw/zinc/69/26/35/1133692635.db2.gz DJWBIEVAILDKNO-UHFFFAOYSA-N 1 2 340.164 3.752 20 0 EHADLO COc1cc(C)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000772611972 1133702720 /nfs/dbraw/zinc/70/27/20/1133702720.db2.gz KOMNGMMRNGBAPR-QGZVFWFLSA-N 1 2 344.459 3.745 20 0 EHADLO CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC001182999836 1133756032 /nfs/dbraw/zinc/75/60/32/1133756032.db2.gz JZOKJRXQPBUCQZ-UHFFFAOYSA-N 1 2 335.835 3.568 20 0 EHADLO c1ccc(OCc2cccc(C[N@@H+]3CCc4nccnc4C3)c2)cc1 ZINC001183096088 1133768227 /nfs/dbraw/zinc/76/82/27/1133768227.db2.gz ZPWNWSPEEZWVSD-UHFFFAOYSA-N 1 2 331.419 3.614 20 0 EHADLO c1ccc(OCc2cccc(C[N@H+]3CCc4nccnc4C3)c2)cc1 ZINC001183096088 1133768233 /nfs/dbraw/zinc/76/82/33/1133768233.db2.gz ZPWNWSPEEZWVSD-UHFFFAOYSA-N 1 2 331.419 3.614 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001183248383 1133785605 /nfs/dbraw/zinc/78/56/05/1133785605.db2.gz NBXRBMPKMGCPRO-HXUWFJFHSA-N 1 2 345.414 3.855 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001183248383 1133785612 /nfs/dbraw/zinc/78/56/12/1133785612.db2.gz NBXRBMPKMGCPRO-HXUWFJFHSA-N 1 2 345.414 3.855 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001170053548 1133787541 /nfs/dbraw/zinc/78/75/41/1133787541.db2.gz OEVDFVHPRLBQQC-OAHLLOKOSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001170053548 1133787546 /nfs/dbraw/zinc/78/75/46/1133787546.db2.gz OEVDFVHPRLBQQC-OAHLLOKOSA-N 1 2 342.842 3.922 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001183351019 1133797739 /nfs/dbraw/zinc/79/77/39/1133797739.db2.gz YHLLCHOPQFJNBH-KRWDZBQOSA-N 1 2 346.434 3.850 20 0 EHADLO CC(C)c1cccc(C[NH+]2CC3(CC(=O)N3Cc3ccccc3)C2)c1 ZINC001183420229 1133804479 /nfs/dbraw/zinc/80/44/79/1133804479.db2.gz YJUITWGVNRVIRC-UHFFFAOYSA-N 1 2 334.463 3.797 20 0 EHADLO CCc1cccc(Cl)c1C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455197 1133809350 /nfs/dbraw/zinc/80/93/50/1133809350.db2.gz QULIFMQPZVDTHR-OAHLLOKOSA-N 1 2 348.796 3.545 20 0 EHADLO CCc1cccc(Cl)c1C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455197 1133809356 /nfs/dbraw/zinc/80/93/56/1133809356.db2.gz QULIFMQPZVDTHR-OAHLLOKOSA-N 1 2 348.796 3.545 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCOCC[C@@H]3C)c2=S)cc1C ZINC000774659224 1133838539 /nfs/dbraw/zinc/83/85/39/1133838539.db2.gz HXGBNRGDCDZPPO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCOCC[C@@H]3C)c2=S)cc1C ZINC000774659224 1133838544 /nfs/dbraw/zinc/83/85/44/1133838544.db2.gz HXGBNRGDCDZPPO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754085 1133854835 /nfs/dbraw/zinc/85/48/35/1133854835.db2.gz YVCZUJZIHNQWOX-GOSISDBHSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754085 1133854841 /nfs/dbraw/zinc/85/48/41/1133854841.db2.gz YVCZUJZIHNQWOX-GOSISDBHSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001183786624 1133858404 /nfs/dbraw/zinc/85/84/04/1133858404.db2.gz VDTHZYIPLAMVNS-GFCCVEGCSA-N 1 2 348.381 3.698 20 0 EHADLO O=C(NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)C1(C2CC2)CC1 ZINC001183799455 1133860414 /nfs/dbraw/zinc/86/04/14/1133860414.db2.gz GLAYEGVHMOKIAX-UHFFFAOYSA-N 1 2 346.474 3.767 20 0 EHADLO Cc1cccn2c(CN[C@@H](C)c3noc(-c4ccccc4)n3)c[nH+]c12 ZINC000153217801 1133868260 /nfs/dbraw/zinc/86/82/60/1133868260.db2.gz OFMLAQQCWKTBFW-AWEZNQCLSA-N 1 2 333.395 3.544 20 0 EHADLO COC(=O)CCc1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000786580090 1133870227 /nfs/dbraw/zinc/87/02/27/1133870227.db2.gz XRKMCOWKMCPUGF-UHFFFAOYSA-N 1 2 349.434 3.898 20 0 EHADLO Nc1ccc(CCC(=O)Nc2ccccc2Cc2ccccc2)c[nH+]1 ZINC001183935316 1133873794 /nfs/dbraw/zinc/87/37/94/1133873794.db2.gz RYZIDBMQWBDZAC-UHFFFAOYSA-N 1 2 331.419 3.826 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000153341006 1133892355 /nfs/dbraw/zinc/89/23/55/1133892355.db2.gz VUEJCLBGWZMHQM-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO CCOC(=O)N1CCC(C)(C[NH2+][C@H](c2ccccc2)C(F)F)CC1 ZINC001184461912 1133943538 /nfs/dbraw/zinc/94/35/38/1133943538.db2.gz FYSALLSPVCKCOJ-OAHLLOKOSA-N 1 2 340.414 3.841 20 0 EHADLO COC(Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1)OC ZINC001185043343 1134023450 /nfs/dbraw/zinc/02/34/50/1134023450.db2.gz LOPFVTLGWOTQJJ-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO Cc1ccc(F)c(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001185255526 1134058128 /nfs/dbraw/zinc/05/81/28/1134058128.db2.gz KGFXZSOMUWIFEB-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO CCCc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746719136 1134060487 /nfs/dbraw/zinc/06/04/87/1134060487.db2.gz LQHXGZHMRMZKJB-UHFFFAOYSA-N 1 2 336.439 3.959 20 0 EHADLO CC(C)(C)c1cc(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000788073237 1134077042 /nfs/dbraw/zinc/07/70/42/1134077042.db2.gz LPRXPDPFPWJNRP-QGZVFWFLSA-N 1 2 342.439 3.680 20 0 EHADLO CC(C)(C)c1cc(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000788073237 1134077048 /nfs/dbraw/zinc/07/70/48/1134077048.db2.gz LPRXPDPFPWJNRP-QGZVFWFLSA-N 1 2 342.439 3.680 20 0 EHADLO Cc1ncsc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239068 1134099771 /nfs/dbraw/zinc/09/97/71/1134099771.db2.gz BVROZPHUKSLNDY-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1ncsc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239068 1134099779 /nfs/dbraw/zinc/09/97/79/1134099779.db2.gz BVROZPHUKSLNDY-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc(F)cc1 ZINC000788246679 1134100677 /nfs/dbraw/zinc/10/06/77/1134100677.db2.gz KYAGROMSPVZRJA-MRXNPFEDSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc(F)cc1 ZINC000788246679 1134100681 /nfs/dbraw/zinc/10/06/81/1134100681.db2.gz KYAGROMSPVZRJA-MRXNPFEDSA-N 1 2 341.430 3.884 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788246190 1134100789 /nfs/dbraw/zinc/10/07/89/1134100789.db2.gz PXKCUTCQNKWRMP-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788246190 1134100794 /nfs/dbraw/zinc/10/07/94/1134100794.db2.gz PXKCUTCQNKWRMP-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc2[nH]ccc2c1 ZINC000788264272 1134103163 /nfs/dbraw/zinc/10/31/63/1134103163.db2.gz GYNCEELDOQFQML-UHFFFAOYSA-N 1 2 332.407 3.720 20 0 EHADLO CC1(C)CCC(CC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001185975588 1134156696 /nfs/dbraw/zinc/15/66/96/1134156696.db2.gz SLHZXPBSUSDXRN-INIZCTEOSA-N 1 2 342.474 3.925 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000788832137 1134179045 /nfs/dbraw/zinc/17/90/45/1134179045.db2.gz LUSCVBJMVUCMAZ-DPZZJQGRSA-N 1 2 336.435 3.700 20 0 EHADLO C[C@@H](NC(=O)NCc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC001186361485 1134201196 /nfs/dbraw/zinc/20/11/96/1134201196.db2.gz VUNHATBMBLLFKT-MRXNPFEDSA-N 1 2 340.471 3.699 20 0 EHADLO Cc1nc(NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC001186373272 1134210849 /nfs/dbraw/zinc/21/08/49/1134210849.db2.gz LMOMQGWIOUJVLH-VFNWGFHPSA-N 1 2 339.483 3.706 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC001186380022 1134211774 /nfs/dbraw/zinc/21/17/74/1134211774.db2.gz RKYURTHWNYGOPI-INIZCTEOSA-N 1 2 344.503 3.607 20 0 EHADLO Cc1nc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001186557131 1134231917 /nfs/dbraw/zinc/23/19/17/1134231917.db2.gz QUKWEOXMGDJQLQ-CYBMUJFWSA-N 1 2 348.491 3.769 20 0 EHADLO Cc1nc(N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC001186571164 1134233071 /nfs/dbraw/zinc/23/30/71/1134233071.db2.gz DZJLSIYGFALHMB-MRXNPFEDSA-N 1 2 343.393 3.600 20 0 EHADLO CC1(C)C[C@]1(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001187489322 1134342703 /nfs/dbraw/zinc/34/27/03/1134342703.db2.gz TUZLPJFMUOJGSL-GOSISDBHSA-N 1 2 325.391 3.803 20 0 EHADLO C[S@@](=O)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000155720541 1134375916 /nfs/dbraw/zinc/37/59/16/1134375916.db2.gz MAAVCQAADNJMRP-SBUREZEXSA-N 1 2 342.489 3.760 20 0 EHADLO Cc1cc(C)n(CCC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)n1 ZINC000746883843 1134376734 /nfs/dbraw/zinc/37/67/34/1134376734.db2.gz KHHWYLUGFXTJJW-UHFFFAOYSA-N 1 2 337.427 3.536 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155755927 1134382004 /nfs/dbraw/zinc/38/20/04/1134382004.db2.gz OUYNQTAYWKNQHP-CYBMUJFWSA-N 1 2 348.809 3.665 20 0 EHADLO CCSc1nn(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c(=S)s1 ZINC000790476490 1134422294 /nfs/dbraw/zinc/42/22/94/1134422294.db2.gz FKQJDMIGPUWMQW-VXGBXAGGSA-N 1 2 347.575 3.881 20 0 EHADLO CCSc1nn(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c(=S)s1 ZINC000790476490 1134422297 /nfs/dbraw/zinc/42/22/97/1134422297.db2.gz FKQJDMIGPUWMQW-VXGBXAGGSA-N 1 2 347.575 3.881 20 0 EHADLO CCN(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1C[NH+](C)C1 ZINC001189116425 1134541889 /nfs/dbraw/zinc/54/18/89/1134541889.db2.gz XIXBUWIRUVOJLM-UHFFFAOYSA-N 1 2 335.757 3.527 20 0 EHADLO C[N@H+](Cc1cccc(C(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000791444663 1134552073 /nfs/dbraw/zinc/55/20/73/1134552073.db2.gz CTEKUSGMCRBAGO-UHFFFAOYSA-N 1 2 329.350 3.905 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000791444663 1134552077 /nfs/dbraw/zinc/55/20/77/1134552077.db2.gz CTEKUSGMCRBAGO-UHFFFAOYSA-N 1 2 329.350 3.905 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)OCc3cc[nH+]c(N)c3)ccc2c1 ZINC000791627804 1134586532 /nfs/dbraw/zinc/58/65/32/1134586532.db2.gz SCJMXWPGPBYKGA-CLTKARDFSA-N 1 2 334.375 3.582 20 0 EHADLO Nc1cc(COC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc[nH+]1 ZINC000791732700 1134597207 /nfs/dbraw/zinc/59/72/07/1134597207.db2.gz KFUWQGNLODRDQH-LJQANCHMSA-N 1 2 334.375 3.527 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)OCc2cc[nH+]c(N)c2)ccc1C(C)C ZINC000791750514 1134601510 /nfs/dbraw/zinc/60/15/10/1134601510.db2.gz PGDSHAOCTJFURJ-CQSZACIVSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccccc1C(F)(F)F ZINC000791955732 1134638508 /nfs/dbraw/zinc/63/85/08/1134638508.db2.gz SAEYHHAVAUJMHI-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO O=C(Nc1ccc2c[nH]nc2c1Cl)c1ccccc1-n1cc[nH+]c1 ZINC001190099411 1134656126 /nfs/dbraw/zinc/65/61/26/1134656126.db2.gz IOQUHMCUEGPGBY-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO C[N@H+](Cc1ccsc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000792168003 1134662243 /nfs/dbraw/zinc/66/22/43/1134662243.db2.gz XIIFWUHDQSGNMM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO C[N@@H+](Cc1ccsc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000792168003 1134662245 /nfs/dbraw/zinc/66/22/45/1134662245.db2.gz XIIFWUHDQSGNMM-LBPRGKRZSA-N 1 2 330.881 3.843 20 0 EHADLO O=c1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c2ccc(O)cc2o1 ZINC000792307306 1134677923 /nfs/dbraw/zinc/67/79/23/1134677923.db2.gz MHJICIKCAVAMSZ-UHFFFAOYSA-N 1 2 341.794 3.710 20 0 EHADLO O=c1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)c2ccc(O)cc2o1 ZINC000792307306 1134677928 /nfs/dbraw/zinc/67/79/28/1134677928.db2.gz MHJICIKCAVAMSZ-UHFFFAOYSA-N 1 2 341.794 3.710 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2c(C)cccc2Cl)c1C ZINC000792595929 1134734133 /nfs/dbraw/zinc/73/41/33/1134734133.db2.gz ACGDATAVASDXAJ-UHFFFAOYSA-N 1 2 332.831 3.528 20 0 EHADLO COc1ccc2c(c1)C[C@@H](Nc1nc(C3CC3)[nH+]c(C)c1OC)CC2 ZINC001170407419 1134770949 /nfs/dbraw/zinc/77/09/49/1134770949.db2.gz CWVVIQCIRPGDCD-INIZCTEOSA-N 1 2 339.439 3.649 20 0 EHADLO Ic1ccc2c(Nc3cnoc3)cc[nH+]c2c1 ZINC001203236768 1134804753 /nfs/dbraw/zinc/80/47/53/1134804753.db2.gz JRFYGGDFEHEGTJ-UHFFFAOYSA-N 1 2 337.120 3.571 20 0 EHADLO C[C@]12CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000792895940 1134816258 /nfs/dbraw/zinc/81/62/58/1134816258.db2.gz BOZYSEZBRPYYSN-OCCSQVGLSA-N 1 2 347.673 3.794 20 0 EHADLO C[C@]12CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000792895940 1134816265 /nfs/dbraw/zinc/81/62/65/1134816265.db2.gz BOZYSEZBRPYYSN-OCCSQVGLSA-N 1 2 347.673 3.794 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC001191338612 1134845065 /nfs/dbraw/zinc/84/50/65/1134845065.db2.gz ANLKYDFQIMGASB-GOSISDBHSA-N 1 2 347.361 3.890 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC001191338612 1134845068 /nfs/dbraw/zinc/84/50/68/1134845068.db2.gz ANLKYDFQIMGASB-GOSISDBHSA-N 1 2 347.361 3.890 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCCOC[C@H]3C)c2=S)c1 ZINC000772826976 1134858496 /nfs/dbraw/zinc/85/84/96/1134858496.db2.gz UPRNTYCYMGTBEO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCCOC[C@H]3C)c2=S)c1 ZINC000772826976 1134858501 /nfs/dbraw/zinc/85/85/01/1134858501.db2.gz UPRNTYCYMGTBEO-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H](F)CC1CCCCC1 ZINC000793184445 1134870912 /nfs/dbraw/zinc/87/09/12/1134870912.db2.gz DJKGMHITXYTDJD-IBGZPJMESA-N 1 2 348.462 3.766 20 0 EHADLO C[C@H](C[NH2+][C@H](CCc1ccccc1)C(F)F)NC(=O)OC(C)(C)C ZINC000793216295 1134874060 /nfs/dbraw/zinc/87/40/60/1134874060.db2.gz XHXIAJOYPQMKRN-UKRRQHHQSA-N 1 2 342.430 3.756 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCc1cc(Cl)sc1Cl ZINC000793237093 1134881928 /nfs/dbraw/zinc/88/19/28/1134881928.db2.gz FAVXADQGWURQCY-UHFFFAOYSA-N 1 2 347.267 3.897 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000793252097 1134889239 /nfs/dbraw/zinc/88/92/39/1134889239.db2.gz FJECJFHHPOBQJR-KTKRTIGZSA-N 1 2 340.423 3.541 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000793249784 1134889324 /nfs/dbraw/zinc/88/93/24/1134889324.db2.gz CERPLNMGSCKGPV-UHFFFAOYSA-N 1 2 332.831 3.671 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793254627 1134889862 /nfs/dbraw/zinc/88/98/62/1134889862.db2.gz VWTLHJFIGDXKAM-UHFFFAOYSA-N 1 2 328.456 3.727 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000793255591 1134890139 /nfs/dbraw/zinc/89/01/39/1134890139.db2.gz MVWASVIBYPLRAA-UHFFFAOYSA-N 1 2 339.222 3.544 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C4CC4)cnc3Cl)ccc2[nH+]1 ZINC000793338018 1134907716 /nfs/dbraw/zinc/90/77/16/1134907716.db2.gz RMIFKTVHYMXWNT-UHFFFAOYSA-N 1 2 326.787 3.821 20 0 EHADLO OCC[N@H+](Cc1cc2ccccc2s1)Cc1cccnc1Cl ZINC000793363909 1134910811 /nfs/dbraw/zinc/91/08/11/1134910811.db2.gz ITVOXHBJFSJRCK-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO OCC[N@@H+](Cc1cc2ccccc2s1)Cc1cccnc1Cl ZINC000793363909 1134910816 /nfs/dbraw/zinc/91/08/16/1134910816.db2.gz ITVOXHBJFSJRCK-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO O=C(c1cncc(-c2cccs2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001191824802 1134931780 /nfs/dbraw/zinc/93/17/80/1134931780.db2.gz WUUNFRNLVIXRDO-ZDUSSCGKSA-N 1 2 338.436 3.553 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001191911147 1134937258 /nfs/dbraw/zinc/93/72/58/1134937258.db2.gz WXLOXDJQXVWCPN-RHPZDQPFSA-N 1 2 341.373 3.686 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001191911147 1134937265 /nfs/dbraw/zinc/93/72/65/1134937265.db2.gz WXLOXDJQXVWCPN-RHPZDQPFSA-N 1 2 341.373 3.686 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1ccc(OC(F)F)cc1 ZINC001192216545 1134987295 /nfs/dbraw/zinc/98/72/95/1134987295.db2.gz HLGPKQIPRUMRRR-UHFFFAOYSA-N 1 2 336.342 3.531 20 0 EHADLO CC[N@H+](CCS(C)(=O)=O)[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001192302413 1135002758 /nfs/dbraw/zinc/00/27/58/1135002758.db2.gz JNZVPYNVMOHVNK-INIZCTEOSA-N 1 2 347.480 3.906 20 0 EHADLO CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001192302413 1135002763 /nfs/dbraw/zinc/00/27/63/1135002763.db2.gz JNZVPYNVMOHVNK-INIZCTEOSA-N 1 2 347.480 3.906 20 0 EHADLO Fc1ccc2c[nH+]c(NC3CCN(CC(F)(F)F)CC3)cc2c1 ZINC001170439943 1135005753 /nfs/dbraw/zinc/00/57/53/1135005753.db2.gz FLPQQCTYERVZAE-UHFFFAOYSA-N 1 2 327.325 3.813 20 0 EHADLO O=C(Nc1ccc2sccc2c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001192471789 1135017546 /nfs/dbraw/zinc/01/75/46/1135017546.db2.gz MZVIQMDTBIJKQA-OAHLLOKOSA-N 1 2 338.436 3.697 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534115 1135024159 /nfs/dbraw/zinc/02/41/59/1135024159.db2.gz CRMANBJOTFENMT-KXBFYZLASA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000775534115 1135024166 /nfs/dbraw/zinc/02/41/66/1135024166.db2.gz CRMANBJOTFENMT-KXBFYZLASA-N 1 2 327.424 3.992 20 0 EHADLO CN(Cc1cccc(C(N)=O)c1)c1cc[nH+]c2c(Cl)cccc12 ZINC000804370474 1135048674 /nfs/dbraw/zinc/04/86/74/1135048674.db2.gz PJFQXWJLACKBFM-UHFFFAOYSA-N 1 2 325.799 3.624 20 0 EHADLO Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC001203173595 1135052920 /nfs/dbraw/zinc/05/29/20/1135052920.db2.gz MFUYPCMALQUJCX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC001203173595 1135052924 /nfs/dbraw/zinc/05/29/24/1135052924.db2.gz MFUYPCMALQUJCX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(Br)cc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001129482679 1135069853 /nfs/dbraw/zinc/06/98/53/1135069853.db2.gz WHSWNNCHQVSLDN-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1noc(Cc2ccccc2)n1 ZINC001193154336 1135110575 /nfs/dbraw/zinc/11/05/75/1135110575.db2.gz LDTPABIAFVWMPN-GOEBONIOSA-N 1 2 329.444 3.516 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001193546064 1135146288 /nfs/dbraw/zinc/14/62/88/1135146288.db2.gz NDYTVMOKKSQQJO-YOEHRIQHSA-N 1 2 329.843 3.914 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001193546064 1135146291 /nfs/dbraw/zinc/14/62/91/1135146291.db2.gz NDYTVMOKKSQQJO-YOEHRIQHSA-N 1 2 329.843 3.914 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc3ccc(Cl)cc3n2)c[nH+]1 ZINC001129842169 1135168915 /nfs/dbraw/zinc/16/89/15/1135168915.db2.gz STFLEYNJQWHTPC-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2-c2cccc(Cl)c2)c1 ZINC001193810928 1135187165 /nfs/dbraw/zinc/18/71/65/1135187165.db2.gz WAFDXRZBUIEKOT-UHFFFAOYSA-N 1 2 339.826 3.713 20 0 EHADLO Cc1cnc(C[NH+]2CCC(c3nc(C(C)(C)C)cs3)CC2)nc1 ZINC000760819362 1135198896 /nfs/dbraw/zinc/19/88/96/1135198896.db2.gz IWGGOIBRDSNXNE-UHFFFAOYSA-N 1 2 330.501 3.919 20 0 EHADLO CC[C@]([NH2+]C[C@H]1CCCC12CCOCC2)(C(=O)OC)c1ccccc1 ZINC001194263129 1135252316 /nfs/dbraw/zinc/25/23/16/1135252316.db2.gz VGHMCLXFZGUEGU-WIYYLYMNSA-N 1 2 345.483 3.651 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OC2CCCC2)CC1 ZINC001194389825 1135263610 /nfs/dbraw/zinc/26/36/10/1135263610.db2.gz BWLDZUOLMCHWPT-GOSISDBHSA-N 1 2 334.435 3.974 20 0 EHADLO O[C@H](C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781505 1135326082 /nfs/dbraw/zinc/32/60/82/1135326082.db2.gz SHJIUEFGVLXAPV-DLBZAZTESA-N 1 2 345.418 3.737 20 0 EHADLO O[C@H](C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781505 1135326088 /nfs/dbraw/zinc/32/60/88/1135326088.db2.gz SHJIUEFGVLXAPV-DLBZAZTESA-N 1 2 345.418 3.737 20 0 EHADLO O=C(c1cc(Cl)c(Cl)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001195171688 1135387634 /nfs/dbraw/zinc/38/76/34/1135387634.db2.gz AAVRYJSHJFESPF-MRVPVSSYSA-N 1 2 330.240 3.798 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c(N(C)C)[nH+]1 ZINC000775683830 1135505187 /nfs/dbraw/zinc/50/51/87/1135505187.db2.gz WAXRLDILAZVZDO-VXGBXAGGSA-N 1 2 344.381 3.651 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)CCCc2ccccc2)c1C ZINC000775684464 1135505419 /nfs/dbraw/zinc/50/54/19/1135505419.db2.gz KOBMHVIZKWHASS-OAHLLOKOSA-N 1 2 340.467 3.982 20 0 EHADLO Cc1cccc(NC(=S)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC001196443444 1135558281 /nfs/dbraw/zinc/55/82/81/1135558281.db2.gz YOWSCXJLRHEYSX-INIZCTEOSA-N 1 2 340.496 3.654 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1nc(C(C)(C)C)co1 ZINC001196480957 1135566644 /nfs/dbraw/zinc/56/66/44/1135566644.db2.gz XZTYRASHGQDYJM-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(C(C)(C)C)co1 ZINC001196480957 1135566652 /nfs/dbraw/zinc/56/66/52/1135566652.db2.gz XZTYRASHGQDYJM-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000867179835 1135574693 /nfs/dbraw/zinc/57/46/93/1135574693.db2.gz BYDCAWNVYYQJKY-CVEARBPZSA-N 1 2 345.468 3.520 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000867179835 1135574699 /nfs/dbraw/zinc/57/46/99/1135574699.db2.gz BYDCAWNVYYQJKY-CVEARBPZSA-N 1 2 345.468 3.520 20 0 EHADLO CCCCCC[C@](CC)([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)C(=O)OCC ZINC001170538571 1135594505 /nfs/dbraw/zinc/59/45/05/1135594505.db2.gz JNNDIKSNJKQETG-MDZRGWNJSA-N 1 2 341.492 3.600 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCCc1ccccc1C ZINC001196736031 1135605675 /nfs/dbraw/zinc/60/56/75/1135605675.db2.gz JOEUAUUOKPCFLN-FQEVSTJZSA-N 1 2 325.452 3.692 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001196769723 1135612594 /nfs/dbraw/zinc/61/25/94/1135612594.db2.gz ABUFZTVCKDHYBX-SMDDNHRTSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001196769723 1135612596 /nfs/dbraw/zinc/61/25/96/1135612596.db2.gz ABUFZTVCKDHYBX-SMDDNHRTSA-N 1 2 342.842 3.967 20 0 EHADLO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000808134819 1135621033 /nfs/dbraw/zinc/62/10/33/1135621033.db2.gz AIAUTIDRBPDXOU-AWEZNQCLSA-N 1 2 329.469 3.792 20 0 EHADLO CC1(C)CCC(=O)N1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000808134819 1135621036 /nfs/dbraw/zinc/62/10/36/1135621036.db2.gz AIAUTIDRBPDXOU-AWEZNQCLSA-N 1 2 329.469 3.792 20 0 EHADLO O=C1N(C[NH+]2CCC(CC(F)(F)F)CC2)CCN1c1ccccc1 ZINC000808185221 1135627520 /nfs/dbraw/zinc/62/75/20/1135627520.db2.gz AXCCEFYMIHNEOZ-UHFFFAOYSA-N 1 2 341.377 3.551 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2Cc3ccccc3C(C)(C)C2)[C@@H]1c1ccncc1 ZINC000808174189 1135631198 /nfs/dbraw/zinc/63/11/98/1135631198.db2.gz QPHLFZHLXRZMKN-LJQANCHMSA-N 1 2 349.478 3.742 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2Cc3ccccc3C(C)(C)C2)[C@@H]1c1ccncc1 ZINC000808174189 1135631199 /nfs/dbraw/zinc/63/11/99/1135631199.db2.gz QPHLFZHLXRZMKN-LJQANCHMSA-N 1 2 349.478 3.742 20 0 EHADLO COc1cccc(C[N@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)c1 ZINC000780428306 1135631520 /nfs/dbraw/zinc/63/15/20/1135631520.db2.gz SFTJFSTUPVOCEV-HXUWFJFHSA-N 1 2 330.472 3.513 20 0 EHADLO COc1cccc(C[N@@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)c1 ZINC000780428306 1135631522 /nfs/dbraw/zinc/63/15/22/1135631522.db2.gz SFTJFSTUPVOCEV-HXUWFJFHSA-N 1 2 330.472 3.513 20 0 EHADLO C[C@@]1(C(F)(F)F)C[N@H+](CCCSCc2ccccc2)CCO1 ZINC001197095310 1135644984 /nfs/dbraw/zinc/64/49/84/1135644984.db2.gz BNLTXFHTAWYZGS-HNNXBMFYSA-N 1 2 333.419 3.963 20 0 EHADLO C[C@@]1(C(F)(F)F)C[N@@H+](CCCSCc2ccccc2)CCO1 ZINC001197095310 1135644989 /nfs/dbraw/zinc/64/49/89/1135644989.db2.gz BNLTXFHTAWYZGS-HNNXBMFYSA-N 1 2 333.419 3.963 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808449650 1135669345 /nfs/dbraw/zinc/66/93/45/1135669345.db2.gz WJELIKXLFPRRFR-RBUKOAKNSA-N 1 2 341.842 3.638 20 0 EHADLO CC(F)(F)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000808465241 1135673249 /nfs/dbraw/zinc/67/32/49/1135673249.db2.gz MCHNQAZYILHXOH-UHFFFAOYSA-N 1 2 342.389 3.556 20 0 EHADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000808733307 1135732104 /nfs/dbraw/zinc/73/21/04/1135732104.db2.gz PHMAVADUNOUDGM-INIZCTEOSA-N 1 2 329.362 3.694 20 0 EHADLO CC(C)C(=O)CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000808733307 1135732108 /nfs/dbraw/zinc/73/21/08/1135732108.db2.gz PHMAVADUNOUDGM-INIZCTEOSA-N 1 2 329.362 3.694 20 0 EHADLO S=C(Nc1ccccc1Br)Nc1cccc2[nH+]ccn21 ZINC001197748442 1135734194 /nfs/dbraw/zinc/73/41/94/1135734194.db2.gz JZYIJIKQGHUGSV-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)no1 ZINC001198604646 1135837331 /nfs/dbraw/zinc/83/73/31/1135837331.db2.gz ONIQXRFBLUHCCB-MRXNPFEDSA-N 1 2 329.444 3.715 20 0 EHADLO CCCCc1nc(C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)no1 ZINC001198604646 1135837335 /nfs/dbraw/zinc/83/73/35/1135837335.db2.gz ONIQXRFBLUHCCB-MRXNPFEDSA-N 1 2 329.444 3.715 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)CCCCCC(C)C)CC2)c1 ZINC001131733148 1135845998 /nfs/dbraw/zinc/84/59/98/1135845998.db2.gz WYFGPRHULLEUPU-UHFFFAOYSA-N 1 2 346.515 3.946 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592891 1135858923 /nfs/dbraw/zinc/85/89/23/1135858923.db2.gz KGOZWSBPPXKFGU-DLBZAZTESA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592891 1135858925 /nfs/dbraw/zinc/85/89/25/1135858925.db2.gz KGOZWSBPPXKFGU-DLBZAZTESA-N 1 2 343.448 3.819 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001170586437 1135884275 /nfs/dbraw/zinc/88/42/75/1135884275.db2.gz KBICVLNQJRSNDA-NEWSRXKRSA-N 1 2 335.488 3.818 20 0 EHADLO O=S1(=O)C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)c2ccccc21 ZINC000809754480 1135886418 /nfs/dbraw/zinc/88/64/18/1135886418.db2.gz CKRGCSKOUGTHBM-HXUWFJFHSA-N 1 2 349.455 3.972 20 0 EHADLO COc1cc(C[NH2+]C2(C(F)F)CCCC2)ccc1OC(=O)C1CC1 ZINC000809789868 1135892761 /nfs/dbraw/zinc/89/27/61/1135892761.db2.gz KOTQDLLQFUXDCA-UHFFFAOYSA-N 1 2 339.382 3.678 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000780430221 1135897496 /nfs/dbraw/zinc/89/74/96/1135897496.db2.gz OSGJPUNGHNVSKL-IRLDBZIGSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000780430221 1135897500 /nfs/dbraw/zinc/89/75/00/1135897500.db2.gz OSGJPUNGHNVSKL-IRLDBZIGSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810240002 1135946706 /nfs/dbraw/zinc/94/67/06/1135946706.db2.gz LWYNFAFTMWZLKJ-GFCCVEGCSA-N 1 2 328.366 3.611 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@@H]2CCC[C@@H](c3ccccc3)O2)C2CC2)no1 ZINC001170603504 1135955307 /nfs/dbraw/zinc/95/53/07/1135955307.db2.gz AOCYDFHFNYKTBB-CMKODMSKSA-N 1 2 341.455 3.903 20 0 EHADLO Fc1ccc2[nH+]cc(CNC(=S)Nc3ccccc3Cl)n2c1 ZINC001200871291 1135962032 /nfs/dbraw/zinc/96/20/32/1135962032.db2.gz IDAMNJYGJAYLAP-UHFFFAOYSA-N 1 2 334.807 3.613 20 0 EHADLO Fc1cc(F)c(F)c(C[NH2+]Cc2cnc3ccc(Cl)cn23)c1F ZINC001200933583 1135967386 /nfs/dbraw/zinc/96/73/86/1135967386.db2.gz YAILDTGMIXTUJO-UHFFFAOYSA-N 1 2 343.711 3.834 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC/C=C\c1ccccc1 ZINC000810522385 1135969199 /nfs/dbraw/zinc/96/91/99/1135969199.db2.gz WOMWDGXLCAQGMX-GHXNOFRVSA-N 1 2 332.403 3.731 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)Nc3ccc(F)cc3F)c[nH+]c12 ZINC001200938681 1135970803 /nfs/dbraw/zinc/97/08/03/1135970803.db2.gz OICBTYJOAPBAIX-NSHDSACASA-N 1 2 346.406 3.969 20 0 EHADLO CC[C@H]1CCC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810587203 1135978955 /nfs/dbraw/zinc/97/89/55/1135978955.db2.gz LOJOHCQASPPSKH-QFBILLFUSA-N 1 2 326.440 3.986 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001132408176 1135997045 /nfs/dbraw/zinc/99/70/45/1135997045.db2.gz CVDHWZGWUPADQK-BWAGFHJFSA-N 1 2 348.490 3.948 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001132408176 1135997047 /nfs/dbraw/zinc/99/70/47/1135997047.db2.gz CVDHWZGWUPADQK-BWAGFHJFSA-N 1 2 348.490 3.948 20 0 EHADLO Cc1cnn(-c2ccccc2C(F)(F)F)c1Nc1ccc(N)[nH+]c1 ZINC001201279926 1136000440 /nfs/dbraw/zinc/00/04/40/1136000440.db2.gz WIEHPKTWTZURSJ-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(Cc2cccc(C(F)(F)F)c2)n1 ZINC001201279627 1136000580 /nfs/dbraw/zinc/00/05/80/1136000580.db2.gz ROSPMBMPHGFHAX-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO CCOC(=O)c1cc(Cl)c(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201285588 1136001084 /nfs/dbraw/zinc/00/10/84/1136001084.db2.gz LPXVNNDBRJYNST-UHFFFAOYSA-N 1 2 326.183 3.891 20 0 EHADLO Nc1ccc(Nc2ccc3c(cnn3Cc3ccc(F)cc3)c2)c[nH+]1 ZINC001201291709 1136001417 /nfs/dbraw/zinc/00/14/17/1136001417.db2.gz OBQVDEFLQWOYQC-UHFFFAOYSA-N 1 2 333.370 3.945 20 0 EHADLO Cc1cc(Cl)c(C)nc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623984 1136003352 /nfs/dbraw/zinc/00/33/52/1136003352.db2.gz TVKZBLOAHXPOGY-CQSZACIVSA-N 1 2 329.822 3.662 20 0 EHADLO Cc1cccc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@H]3C)n1 ZINC001201434556 1136023757 /nfs/dbraw/zinc/02/37/57/1136023757.db2.gz KAYDROTZVBOFRA-INIZCTEOSA-N 1 2 342.487 3.726 20 0 EHADLO Cc1cccc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@H]3C)n1 ZINC001201434556 1136023760 /nfs/dbraw/zinc/02/37/60/1136023760.db2.gz KAYDROTZVBOFRA-INIZCTEOSA-N 1 2 342.487 3.726 20 0 EHADLO COc1nc(C(C)C)ccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001201438375 1136025228 /nfs/dbraw/zinc/02/52/28/1136025228.db2.gz UHINUXZVVYHSHU-UHFFFAOYSA-N 1 2 341.455 3.789 20 0 EHADLO Oc1cc(F)cnc1N=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474477 1136032252 /nfs/dbraw/zinc/03/22/52/1136032252.db2.gz HCQSIZFKWYEJBA-SJORKVTESA-N 1 2 325.387 3.659 20 0 EHADLO Oc1cc(F)cnc1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474477 1136032255 /nfs/dbraw/zinc/03/22/55/1136032255.db2.gz HCQSIZFKWYEJBA-SJORKVTESA-N 1 2 325.387 3.659 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001201515665 1136036672 /nfs/dbraw/zinc/03/66/72/1136036672.db2.gz YMVAUOIJXYXAFH-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2csc3c2CC[C@H](C)C3)c1C ZINC000747675526 1136049732 /nfs/dbraw/zinc/04/97/32/1136049732.db2.gz RWDLEEWGHIVEOU-NSHDSACASA-N 1 2 344.480 3.823 20 0 EHADLO Cc1csc(Nc2ccc(C(=O)OCCCn3cc[nH+]c3)cc2)n1 ZINC000811320679 1136072314 /nfs/dbraw/zinc/07/23/14/1136072314.db2.gz XFQKRLPRSMJJRZ-UHFFFAOYSA-N 1 2 342.424 3.639 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000794441218 1136099805 /nfs/dbraw/zinc/09/98/05/1136099805.db2.gz APJUVCURFQZWFH-SWLSCSKDSA-N 1 2 339.266 3.775 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000794441218 1136099811 /nfs/dbraw/zinc/09/98/11/1136099811.db2.gz APJUVCURFQZWFH-SWLSCSKDSA-N 1 2 339.266 3.775 20 0 EHADLO CCCCCCOc1ccc(CN2CCn3c[nH+]cc3C2)cc1OC ZINC000811514745 1136103697 /nfs/dbraw/zinc/10/36/97/1136103697.db2.gz FEMLUTJKYUXPJF-UHFFFAOYSA-N 1 2 343.471 3.867 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccccc1C(F)(F)F ZINC001202173091 1136105727 /nfs/dbraw/zinc/10/57/27/1136105727.db2.gz ZRKFAUYRJMFESL-UHFFFAOYSA-N 1 2 326.322 3.805 20 0 EHADLO C[C@H]1C[N@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777407 1136134241 /nfs/dbraw/zinc/13/42/41/1136134241.db2.gz FDHYPNNWNUWOGV-FZMZJTMJSA-N 1 2 328.790 3.548 20 0 EHADLO C[C@H]1C[N@@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777407 1136134243 /nfs/dbraw/zinc/13/42/43/1136134243.db2.gz FDHYPNNWNUWOGV-FZMZJTMJSA-N 1 2 328.790 3.548 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1)CCC2 ZINC000811756714 1136136395 /nfs/dbraw/zinc/13/63/95/1136136395.db2.gz QZRDIUMTGTZRHI-YOEHRIQHSA-N 1 2 347.528 3.619 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1)CCC2 ZINC000811756714 1136136396 /nfs/dbraw/zinc/13/63/96/1136136396.db2.gz QZRDIUMTGTZRHI-YOEHRIQHSA-N 1 2 347.528 3.619 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001202380516 1136137049 /nfs/dbraw/zinc/13/70/49/1136137049.db2.gz HWWBOPPFULXXGM-OAHLLOKOSA-N 1 2 330.819 3.526 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3cc(Cl)sc3[nH]2)c1C ZINC000811890356 1136152648 /nfs/dbraw/zinc/15/26/48/1136152648.db2.gz POGNKSIXWBCNGU-UHFFFAOYSA-N 1 2 349.843 3.833 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1(F)CCCCC1 ZINC000811891024 1136152910 /nfs/dbraw/zinc/15/29/10/1136152910.db2.gz JQXUOIODHNOMAD-UHFFFAOYSA-N 1 2 331.391 3.573 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(Cl)cc1 ZINC000338915073 1136161169 /nfs/dbraw/zinc/16/11/69/1136161169.db2.gz WQJFFSXJFPCRGB-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(Cl)cc1 ZINC000338915073 1136161171 /nfs/dbraw/zinc/16/11/71/1136161171.db2.gz WQJFFSXJFPCRGB-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000006812425 1136185860 /nfs/dbraw/zinc/18/58/60/1136185860.db2.gz PPLZYUFXKXIMSK-YVMONPNESA-N 1 2 335.451 3.858 20 0 EHADLO CC1(C)CCCc2sc(NC(=O)c3cccc4[nH+]ccn43)nc21 ZINC000812317324 1136194740 /nfs/dbraw/zinc/19/47/40/1136194740.db2.gz DTQNGUZVYAOWEB-UHFFFAOYSA-N 1 2 326.425 3.657 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000747783825 1136196472 /nfs/dbraw/zinc/19/64/72/1136196472.db2.gz XCYAJKRKXYAFIS-UHFFFAOYSA-N 1 2 327.211 3.793 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000850042948 1136202150 /nfs/dbraw/zinc/20/21/50/1136202150.db2.gz FRFRMLSFLMASFF-LJQANCHMSA-N 1 2 326.440 3.841 20 0 EHADLO Cc1c[nH]c(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000850126044 1136212239 /nfs/dbraw/zinc/21/22/39/1136212239.db2.gz CUZIBYXIHSPVSJ-OAQYLSRUSA-N 1 2 333.435 3.922 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2C=CCC2)cs1)c1ccc(C)cc1 ZINC000850359148 1136240907 /nfs/dbraw/zinc/24/09/07/1136240907.db2.gz XTYQEALQPZAAFZ-OAHLLOKOSA-N 1 2 327.453 3.944 20 0 EHADLO O[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Br)c2ccccc21 ZINC000850374281 1136244878 /nfs/dbraw/zinc/24/48/78/1136244878.db2.gz LHCQMLUGLGOHMX-JKSUJKDBSA-N 1 2 336.204 3.856 20 0 EHADLO CCOC(=O)NC1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000850451320 1136262082 /nfs/dbraw/zinc/26/20/82/1136262082.db2.gz XOACZNRIBXVICI-UHFFFAOYSA-N 1 2 346.475 3.541 20 0 EHADLO COC(=O)c1nc(C[NH2+][C@H](C)c2cccc(F)c2F)ccc1Cl ZINC000850514336 1136275129 /nfs/dbraw/zinc/27/51/29/1136275129.db2.gz SOYDBHDBEPFPHK-SECBINFHSA-N 1 2 340.757 3.651 20 0 EHADLO Cc1sc(C(=O)Nc2c(C)c[nH+]cc2C)cc1Br ZINC001133686029 1136312707 /nfs/dbraw/zinc/31/27/07/1136312707.db2.gz ONBUFVJLVYHVHZ-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC=C(Cl)Cl)CC2)cs1 ZINC000851141495 1136341893 /nfs/dbraw/zinc/34/18/93/1136341893.db2.gz JQPXSAIPXHEORX-UHFFFAOYSA-N 1 2 349.283 3.526 20 0 EHADLO C[C@@H](Cc1ccsc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000851149599 1136343353 /nfs/dbraw/zinc/34/33/53/1136343353.db2.gz STEDZVVWKQWPBY-HNNXBMFYSA-N 1 2 340.448 3.710 20 0 EHADLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Oc1ccc(Br)cc1OC ZINC000813811191 1136366190 /nfs/dbraw/zinc/36/61/90/1136366190.db2.gz UAJQYPZTLGCZJO-JTQLQIEISA-N 1 2 344.249 3.530 20 0 EHADLO O=C(Cc1c[nH]c2ccccc12)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397453 1136376285 /nfs/dbraw/zinc/37/62/85/1136376285.db2.gz MKOWPBLLHYGLQT-UHFFFAOYSA-N 1 2 349.434 3.565 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399928 1136376831 /nfs/dbraw/zinc/37/68/31/1136376831.db2.gz KOFLKMCNNDUTDJ-QGZVFWFLSA-N 1 2 348.487 3.683 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400319 1136377079 /nfs/dbraw/zinc/37/70/79/1136377079.db2.gz YJABFADMLMELHM-MRXNPFEDSA-N 1 2 346.471 3.627 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180642 1136412305 /nfs/dbraw/zinc/41/23/05/1136412305.db2.gz QDSWRBUPTIUXLV-TZIYXEQSSA-N 1 2 339.382 3.717 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180642 1136412307 /nfs/dbraw/zinc/41/23/07/1136412307.db2.gz QDSWRBUPTIUXLV-TZIYXEQSSA-N 1 2 339.382 3.717 20 0 EHADLO O=C1CC[C@H](C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944055 1136422201 /nfs/dbraw/zinc/42/22/01/1136422201.db2.gz JFEDLORUXONPHV-ZIAGYGMSSA-N 1 2 345.386 3.501 20 0 EHADLO O=C1CC[C@H](C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000851944055 1136422202 /nfs/dbraw/zinc/42/22/02/1136422202.db2.gz JFEDLORUXONPHV-ZIAGYGMSSA-N 1 2 345.386 3.501 20 0 EHADLO C[C@H](Nc1c(Br)ccc2[nH+]ccn21)c1cccc(N)c1 ZINC001170735420 1136427762 /nfs/dbraw/zinc/42/77/62/1136427762.db2.gz GDZZRVFWIVOWRF-JTQLQIEISA-N 1 2 331.217 3.852 20 0 EHADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000852127297 1136435508 /nfs/dbraw/zinc/43/55/08/1136435508.db2.gz QNSVSRYPDTYRHB-LBPRGKRZSA-N 1 2 343.862 3.870 20 0 EHADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000852127297 1136435513 /nfs/dbraw/zinc/43/55/13/1136435513.db2.gz QNSVSRYPDTYRHB-LBPRGKRZSA-N 1 2 343.862 3.870 20 0 EHADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000776586095 1136442460 /nfs/dbraw/zinc/44/24/60/1136442460.db2.gz JXFBIFGZQNILSH-CQSZACIVSA-N 1 2 332.469 3.675 20 0 EHADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000776586095 1136442462 /nfs/dbraw/zinc/44/24/62/1136442462.db2.gz JXFBIFGZQNILSH-CQSZACIVSA-N 1 2 332.469 3.675 20 0 EHADLO CCc1ncc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000930158806 1136443754 /nfs/dbraw/zinc/44/37/54/1136443754.db2.gz OYVRNYWDKFREJM-UHFFFAOYSA-N 1 2 329.227 3.538 20 0 EHADLO CCc1ncc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000930158806 1136443759 /nfs/dbraw/zinc/44/37/59/1136443759.db2.gz OYVRNYWDKFREJM-UHFFFAOYSA-N 1 2 329.227 3.538 20 0 EHADLO C[N@H+](Cc1csc(C2CC2)n1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306205 1136447078 /nfs/dbraw/zinc/44/70/78/1136447078.db2.gz AELPFSZXHLXKKL-UHFFFAOYSA-N 1 2 339.505 3.756 20 0 EHADLO C[N@@H+](Cc1csc(C2CC2)n1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306205 1136447080 /nfs/dbraw/zinc/44/70/80/1136447080.db2.gz AELPFSZXHLXKKL-UHFFFAOYSA-N 1 2 339.505 3.756 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544676 1136464638 /nfs/dbraw/zinc/46/46/38/1136464638.db2.gz WJFMGHRXIHDKHF-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544676 1136464639 /nfs/dbraw/zinc/46/46/39/1136464639.db2.gz WJFMGHRXIHDKHF-QZTJIDSGSA-N 1 2 335.806 3.586 20 0 EHADLO CC(C)[C@@H]([NH2+]CC(F)(F)C(F)F)[C@H](O)c1ccc(Cl)cc1 ZINC000852730381 1136481205 /nfs/dbraw/zinc/48/12/05/1136481205.db2.gz DTNPLIWXZWFKJF-VXGBXAGGSA-N 1 2 327.749 3.888 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1cccc2ccccc21 ZINC000852740731 1136482423 /nfs/dbraw/zinc/48/24/23/1136482423.db2.gz STMSSPWWMYQARO-YOEHRIQHSA-N 1 2 339.357 3.526 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1cccc2ccccc21 ZINC000852740731 1136482425 /nfs/dbraw/zinc/48/24/25/1136482425.db2.gz STMSSPWWMYQARO-YOEHRIQHSA-N 1 2 339.357 3.526 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2C)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852962281 1136494488 /nfs/dbraw/zinc/49/44/88/1136494488.db2.gz DWESJTJQPXFQQE-QGZVFWFLSA-N 1 2 333.863 3.513 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2C)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852962281 1136494490 /nfs/dbraw/zinc/49/44/90/1136494490.db2.gz DWESJTJQPXFQQE-QGZVFWFLSA-N 1 2 333.863 3.513 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c1C ZINC000853081239 1136506800 /nfs/dbraw/zinc/50/68/00/1136506800.db2.gz MCXPAZLWNMTIFO-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173245721 1136511804 /nfs/dbraw/zinc/51/18/04/1136511804.db2.gz NZRWEQWPDBBCJA-UHFFFAOYSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173245721 1136511807 /nfs/dbraw/zinc/51/18/07/1136511807.db2.gz NZRWEQWPDBBCJA-UHFFFAOYSA-N 1 2 341.455 3.649 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000853126038 1136512334 /nfs/dbraw/zinc/51/23/34/1136512334.db2.gz GMNVLKPQJORWHB-FQEVSTJZSA-N 1 2 333.435 3.767 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000853570881 1136545640 /nfs/dbraw/zinc/54/56/40/1136545640.db2.gz IOFFJMUMONQAAU-KDOFPFPSSA-N 1 2 348.874 3.534 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000853570881 1136545644 /nfs/dbraw/zinc/54/56/44/1136545644.db2.gz IOFFJMUMONQAAU-KDOFPFPSSA-N 1 2 348.874 3.534 20 0 EHADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)cc1 ZINC000815065518 1136546156 /nfs/dbraw/zinc/54/61/56/1136546156.db2.gz GDTKVXFEXPTRAD-OAHLLOKOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(Br)c2)cc1 ZINC000815065518 1136546157 /nfs/dbraw/zinc/54/61/57/1136546157.db2.gz GDTKVXFEXPTRAD-OAHLLOKOSA-N 1 2 333.229 3.887 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC000853610783 1136549203 /nfs/dbraw/zinc/54/92/03/1136549203.db2.gz UTNUALGYBACAIQ-KRWDZBQOSA-N 1 2 331.504 3.791 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC000853610783 1136549205 /nfs/dbraw/zinc/54/92/05/1136549205.db2.gz UTNUALGYBACAIQ-KRWDZBQOSA-N 1 2 331.504 3.791 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627127 1136550383 /nfs/dbraw/zinc/55/03/83/1136550383.db2.gz PHKRZYSEIZFMJS-LBPRGKRZSA-N 1 2 334.464 3.693 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627127 1136550385 /nfs/dbraw/zinc/55/03/85/1136550385.db2.gz PHKRZYSEIZFMJS-LBPRGKRZSA-N 1 2 334.464 3.693 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C)oc1ccccc12 ZINC000815164361 1136559434 /nfs/dbraw/zinc/55/94/34/1136559434.db2.gz WJNWSLKCEDSMCD-OLZOCXBDSA-N 1 2 338.407 3.873 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C)oc1ccccc12 ZINC000815164361 1136559435 /nfs/dbraw/zinc/55/94/35/1136559435.db2.gz WJNWSLKCEDSMCD-OLZOCXBDSA-N 1 2 338.407 3.873 20 0 EHADLO Cn1ncc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c1Cl ZINC000815134648 1136560508 /nfs/dbraw/zinc/56/05/08/1136560508.db2.gz GJZMPSNELFUBNF-HNNXBMFYSA-N 1 2 333.867 3.552 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)O[C@@H]3CC[C@@H](C)C3)c2)cc[nH+]1 ZINC000815233112 1136569696 /nfs/dbraw/zinc/56/96/96/1136569696.db2.gz ZTJUNNGYZOJBOD-CXAGYDPISA-N 1 2 325.412 3.743 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000815209418 1136571182 /nfs/dbraw/zinc/57/11/82/1136571182.db2.gz VWINRLZZYZBZPC-CQSZACIVSA-N 1 2 335.835 3.674 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000815209418 1136571185 /nfs/dbraw/zinc/57/11/85/1136571185.db2.gz VWINRLZZYZBZPC-CQSZACIVSA-N 1 2 335.835 3.674 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc4nsnc4c3)c2)[nH+]c1C ZINC000776705146 1136581555 /nfs/dbraw/zinc/58/15/55/1136581555.db2.gz GVBXDMQHFOXWGQ-UHFFFAOYSA-N 1 2 349.419 3.951 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000854056981 1136584468 /nfs/dbraw/zinc/58/44/68/1136584468.db2.gz ZNHULOZHYRLNSF-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000854056981 1136584473 /nfs/dbraw/zinc/58/44/73/1136584473.db2.gz ZNHULOZHYRLNSF-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO Cc1cc(Cl)cc2cc(-c3noc([C@@H]([NH3+])COC(C)C)n3)oc21 ZINC000854153767 1136592669 /nfs/dbraw/zinc/59/26/69/1136592669.db2.gz ZAQQOQBLTUEDRT-LBPRGKRZSA-N 1 2 335.791 3.869 20 0 EHADLO CCCCN(C(=O)C(F)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000815398967 1136595550 /nfs/dbraw/zinc/59/55/50/1136595550.db2.gz CMAVSHBDDSTXHZ-LBPRGKRZSA-N 1 2 340.405 3.825 20 0 EHADLO CCCCN(C(=O)[C@H](F)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000815398967 1136595561 /nfs/dbraw/zinc/59/55/61/1136595561.db2.gz CMAVSHBDDSTXHZ-LBPRGKRZSA-N 1 2 340.405 3.825 20 0 EHADLO C=Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000854411996 1136614289 /nfs/dbraw/zinc/61/42/89/1136614289.db2.gz GDOYVCPKXBHDCN-UHFFFAOYSA-N 1 2 341.480 3.564 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cn1c(=O)sc3c1CC[C@@H](C)C3)CC2 ZINC000776776136 1136663534 /nfs/dbraw/zinc/66/35/34/1136663534.db2.gz WFPZSPFKKVFKGT-CYBMUJFWSA-N 1 2 342.508 3.667 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cn1c(=O)sc3c1CC[C@@H](C)C3)CC2 ZINC000776776136 1136663535 /nfs/dbraw/zinc/66/35/35/1136663535.db2.gz WFPZSPFKKVFKGT-CYBMUJFWSA-N 1 2 342.508 3.667 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000776796167 1136671887 /nfs/dbraw/zinc/67/18/87/1136671887.db2.gz OAQBMWZETUWCBM-UHFFFAOYSA-N 1 2 345.324 3.946 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338969048 1136674528 /nfs/dbraw/zinc/67/45/28/1136674528.db2.gz VKBLIYQYPRXLMZ-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338969048 1136674529 /nfs/dbraw/zinc/67/45/29/1136674529.db2.gz VKBLIYQYPRXLMZ-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cn2ncn(C3CC3)c2=S)C1 ZINC000113246488 1136688657 /nfs/dbraw/zinc/68/86/57/1136688657.db2.gz HMYAOYGCVZKLSY-SFHVURJKSA-N 1 2 328.485 3.760 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2ncn(C3CC3)c2=S)C1 ZINC000113246488 1136688658 /nfs/dbraw/zinc/68/86/58/1136688658.db2.gz HMYAOYGCVZKLSY-SFHVURJKSA-N 1 2 328.485 3.760 20 0 EHADLO CCC1(CC)[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C[C@H]1OC ZINC000776823330 1136708819 /nfs/dbraw/zinc/70/88/19/1136708819.db2.gz AVOKLCAHLIUTMQ-RTBURBONSA-N 1 2 332.488 3.653 20 0 EHADLO CCC1(CC)[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C[C@H]1OC ZINC000776823330 1136708822 /nfs/dbraw/zinc/70/88/22/1136708822.db2.gz AVOKLCAHLIUTMQ-RTBURBONSA-N 1 2 332.488 3.653 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](Cc2cccc(O)c2Cl)C2CC2)cc1 ZINC000816488070 1136724078 /nfs/dbraw/zinc/72/40/78/1136724078.db2.gz HNCUIINKRZHVFQ-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](Cc2cccc(O)c2Cl)C2CC2)cc1 ZINC000816488070 1136724079 /nfs/dbraw/zinc/72/40/79/1136724079.db2.gz HNCUIINKRZHVFQ-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO c1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)[nH+]cc1N1CCCCC1 ZINC000776849216 1136746637 /nfs/dbraw/zinc/74/66/37/1136746637.db2.gz XOLQLPVUKHOOAO-BFYDXBDKSA-N 1 2 335.542 3.863 20 0 EHADLO CC(C)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000816915448 1136765566 /nfs/dbraw/zinc/76/55/66/1136765566.db2.gz AGXILCSRJDXZBQ-CQSZACIVSA-N 1 2 339.361 3.875 20 0 EHADLO COc1cc2nc(C)sc2cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776884137 1136782866 /nfs/dbraw/zinc/78/28/66/1136782866.db2.gz ZUWHXWVDJTWRAD-UHFFFAOYSA-N 1 2 338.392 3.513 20 0 EHADLO CCc1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157567 1136782979 /nfs/dbraw/zinc/78/29/79/1136782979.db2.gz JPHPCJOENCGGRA-LSDHHAIUSA-N 1 2 348.384 3.649 20 0 EHADLO CCc1ccc([C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157567 1136782980 /nfs/dbraw/zinc/78/29/80/1136782980.db2.gz JPHPCJOENCGGRA-LSDHHAIUSA-N 1 2 348.384 3.649 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@@](F)(c4ccccc4F)C3)cnc2n1 ZINC000338996924 1136791997 /nfs/dbraw/zinc/79/19/97/1136791997.db2.gz JLBYUMHHFZIWQT-IBGZPJMESA-N 1 2 342.393 3.556 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CC[C@@](F)(c4ccccc4F)C3)cnc2n1 ZINC000338996924 1136791999 /nfs/dbraw/zinc/79/19/99/1136791999.db2.gz JLBYUMHHFZIWQT-IBGZPJMESA-N 1 2 342.393 3.556 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)c2cccs2)c1C ZINC000114524427 1136801502 /nfs/dbraw/zinc/80/15/02/1136801502.db2.gz JVFAGHANODSEJZ-UHFFFAOYSA-N 1 2 347.484 3.546 20 0 EHADLO Brc1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CCCCO3)CC2 ZINC001170869028 1136810356 /nfs/dbraw/zinc/81/03/56/1136810356.db2.gz HTIHJLZQVXLLKX-INIZCTEOSA-N 1 2 336.273 3.561 20 0 EHADLO CSCCCCCCNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817561886 1136827949 /nfs/dbraw/zinc/82/79/49/1136827949.db2.gz CUCPVVZEVJXMSF-UHFFFAOYSA-N 1 2 325.547 3.586 20 0 EHADLO OCC[C@H]([NH2+][C@@H](c1ccc(Br)cc1)C(F)F)C1CC1 ZINC000857077156 1136841783 /nfs/dbraw/zinc/84/17/83/1136841783.db2.gz ZUAINLFRFGCTJM-STQMWFEESA-N 1 2 334.204 3.506 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccco1 ZINC000857257900 1136857751 /nfs/dbraw/zinc/85/77/51/1136857751.db2.gz GDWQBPIYNLYAGH-CAENFQTFSA-N 1 2 325.412 3.617 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000818219728 1136867318 /nfs/dbraw/zinc/86/73/18/1136867318.db2.gz CJZRMEQMQLDYFN-UHFFFAOYSA-N 1 2 332.757 3.568 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512934 1136903469 /nfs/dbraw/zinc/90/34/69/1136903469.db2.gz POEHNDAZEOIQLJ-PXNSSMCTSA-N 1 2 345.446 3.746 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000115512934 1136903472 /nfs/dbraw/zinc/90/34/72/1136903472.db2.gz POEHNDAZEOIQLJ-PXNSSMCTSA-N 1 2 345.446 3.746 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@H](C)Cc4c[nH]nc43)c2)[nH+]c1C ZINC000857852053 1136913357 /nfs/dbraw/zinc/91/33/57/1136913357.db2.gz KNJNEAMKMSXSPI-GTNSWQLSSA-N 1 2 349.438 3.721 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c(F)ccc(SCC2CC2)c1F ZINC000857976317 1136926943 /nfs/dbraw/zinc/92/69/43/1136926943.db2.gz BCTPNHBDDGFWOR-GFCCVEGCSA-N 1 2 349.406 3.538 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857975550 1136927055 /nfs/dbraw/zinc/92/70/55/1136927055.db2.gz PAYKZQBPQHJMNI-HZPDHXFCSA-N 1 2 331.847 3.927 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)C12CC3CC(CC(C3)C1)C2 ZINC000857985257 1136927307 /nfs/dbraw/zinc/92/73/07/1136927307.db2.gz OCAUIBNJGNGXIO-ZFZBXXMQSA-N 1 2 325.456 3.607 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857984405 1136927556 /nfs/dbraw/zinc/92/75/56/1136927556.db2.gz ZTCKDHJENZMNQH-JOHMGYAOSA-N 1 2 335.329 3.566 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858016958 1136932616 /nfs/dbraw/zinc/93/26/16/1136932616.db2.gz JLDMKUJULBKFMB-LJQANCHMSA-N 1 2 340.471 3.780 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858016958 1136932618 /nfs/dbraw/zinc/93/26/18/1136932618.db2.gz JLDMKUJULBKFMB-LJQANCHMSA-N 1 2 340.471 3.780 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)cnc1Cl)c1ccns1 ZINC000858319024 1136958129 /nfs/dbraw/zinc/95/81/29/1136958129.db2.gz XKMTWIAGZSCSRG-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000777005799 1136943364 /nfs/dbraw/zinc/94/33/64/1136943364.db2.gz QXRWPXCEJODSFO-NSHDSACASA-N 1 2 349.312 3.724 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000858315711 1136957482 /nfs/dbraw/zinc/95/74/82/1136957482.db2.gz WEDZDYMZHWNUMG-GFCCVEGCSA-N 1 2 348.661 3.594 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858437044 1136967633 /nfs/dbraw/zinc/96/76/33/1136967633.db2.gz CICNCYJKMHULRJ-OAHLLOKOSA-N 1 2 327.428 3.680 20 0 EHADLO CC[N@@H+]1CC[C@H](Nc2nccnc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858467291 1136970123 /nfs/dbraw/zinc/97/01/23/1136970123.db2.gz SFUWQBNFSVGTJT-UONOGXRCSA-N 1 2 338.789 3.656 20 0 EHADLO CC[N@H+]1CC[C@H](Nc2nccnc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858467291 1136970125 /nfs/dbraw/zinc/97/01/25/1136970125.db2.gz SFUWQBNFSVGTJT-UONOGXRCSA-N 1 2 338.789 3.656 20 0 EHADLO COC(=[NH2+])c1cccc(NC2(C(=O)OCc3ccccc3)CCC2)c1 ZINC001170941563 1136971936 /nfs/dbraw/zinc/97/19/36/1136971936.db2.gz QCIQUEPOUDXPID-UHFFFAOYSA-N 1 2 338.407 3.736 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc(C)[nH+]1 ZINC000858549001 1136977792 /nfs/dbraw/zinc/97/77/92/1136977792.db2.gz YYUPRHMNQLDWQC-SLFFLAALSA-N 1 2 335.451 3.644 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2cccnc2)n(C)c1=S)C(C)C ZINC000116256615 1136986642 /nfs/dbraw/zinc/98/66/42/1136986642.db2.gz HQTVSDHITICCHF-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2cccnc2)n(C)c1=S)C(C)C ZINC000116256615 1136986643 /nfs/dbraw/zinc/98/66/43/1136986643.db2.gz HQTVSDHITICCHF-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H](c1ccccn1)C1CCC1 ZINC000858704926 1136987598 /nfs/dbraw/zinc/98/75/98/1136987598.db2.gz YRRRXYHRXLPDRA-MRXNPFEDSA-N 1 2 336.443 3.930 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000858727845 1136989315 /nfs/dbraw/zinc/98/93/15/1136989315.db2.gz QTCNIGVHXBAYBB-BZSNNMDCSA-N 1 2 343.446 3.747 20 0 EHADLO CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC(F)(F)CC1 ZINC000858828325 1136993580 /nfs/dbraw/zinc/99/35/80/1136993580.db2.gz GSILZIWRDZTRAT-UHFFFAOYSA-N 1 2 333.382 3.704 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)OCCc1ccccc1 ZINC000858905522 1136996557 /nfs/dbraw/zinc/99/65/57/1136996557.db2.gz BRGLJJUHZZQTIH-UHFFFAOYSA-N 1 2 339.439 3.541 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC000859134684 1137004629 /nfs/dbraw/zinc/00/46/29/1137004629.db2.gz FGLMZHSUCYFNKY-AWEZNQCLSA-N 1 2 333.819 3.590 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000859235781 1137009140 /nfs/dbraw/zinc/00/91/40/1137009140.db2.gz WUZBJGWCAHKUKS-ZDUSSCGKSA-N 1 2 347.768 3.570 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CCc2ccccc21 ZINC001136393836 1137010726 /nfs/dbraw/zinc/01/07/26/1137010726.db2.gz AIEXDPDQEJSSQS-PKOBYXMFSA-N 1 2 339.483 3.924 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)c(Cl)c1F ZINC001136395093 1137010879 /nfs/dbraw/zinc/01/08/79/1137010879.db2.gz ZIFYAEWDYMOTIT-GFCCVEGCSA-N 1 2 341.789 3.659 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000859939355 1137037857 /nfs/dbraw/zinc/03/78/57/1137037857.db2.gz XDRYEIVBGFEBSA-GOSISDBHSA-N 1 2 349.430 3.604 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000859939355 1137037858 /nfs/dbraw/zinc/03/78/58/1137037858.db2.gz XDRYEIVBGFEBSA-GOSISDBHSA-N 1 2 349.430 3.604 20 0 EHADLO c1c2ccccc2[nH]c1C[NH+]1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000860011130 1137040707 /nfs/dbraw/zinc/04/07/07/1137040707.db2.gz VSQHSTONSPSFOV-UHFFFAOYSA-N 1 2 347.462 3.516 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000821876920 1137041234 /nfs/dbraw/zinc/04/12/34/1137041234.db2.gz XAARSSKSTBQGQX-SFHVURJKSA-N 1 2 345.406 3.807 20 0 EHADLO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccns1 ZINC000860052582 1137042018 /nfs/dbraw/zinc/04/20/18/1137042018.db2.gz CVGGFJDVAOJCFR-WMLDXEAASA-N 1 2 329.469 3.548 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)c1ccns1 ZINC000860058612 1137042653 /nfs/dbraw/zinc/04/26/53/1137042653.db2.gz GAKPVNSHCRTKOM-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860093568 1137043916 /nfs/dbraw/zinc/04/39/16/1137043916.db2.gz DREXSVKFEVKFIL-QWHCGFSZSA-N 1 2 339.480 3.878 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860093568 1137043917 /nfs/dbraw/zinc/04/39/17/1137043917.db2.gz DREXSVKFEVKFIL-QWHCGFSZSA-N 1 2 339.480 3.878 20 0 EHADLO C[C@]1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1(Cl)Cl ZINC000822651775 1137068167 /nfs/dbraw/zinc/06/81/67/1137068167.db2.gz CDLPFDWXTLTFRH-AWEZNQCLSA-N 1 2 342.201 3.924 20 0 EHADLO Cc1cc(F)cc2c1CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC000822712324 1137071578 /nfs/dbraw/zinc/07/15/78/1137071578.db2.gz FNTMSQDZSICVMH-SFHVURJKSA-N 1 2 329.419 3.503 20 0 EHADLO COc1ccc(C)cc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136624078 1137072563 /nfs/dbraw/zinc/07/25/63/1137072563.db2.gz HKKOHDQJHKCKPF-UHFFFAOYSA-N 1 2 335.407 3.679 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCC1 ZINC001136640464 1137078338 /nfs/dbraw/zinc/07/83/38/1137078338.db2.gz YVYWIWQFAKXVFO-CQSZACIVSA-N 1 2 340.471 3.924 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000339023638 1137095210 /nfs/dbraw/zinc/09/52/10/1137095210.db2.gz UGRSWQFOUXLOQC-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000339023638 1137095211 /nfs/dbraw/zinc/09/52/11/1137095211.db2.gz UGRSWQFOUXLOQC-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000823395554 1137098157 /nfs/dbraw/zinc/09/81/57/1137098157.db2.gz XEVHMJJJWJSQEV-SFHVURJKSA-N 1 2 336.391 3.536 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000823395554 1137098159 /nfs/dbraw/zinc/09/81/59/1137098159.db2.gz XEVHMJJJWJSQEV-SFHVURJKSA-N 1 2 336.391 3.536 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cc(F)c(F)cc1F ZINC001136717557 1137098888 /nfs/dbraw/zinc/09/88/88/1137098888.db2.gz QPNUDOQYGVYUTA-UHFFFAOYSA-N 1 2 345.324 3.530 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2csc(C3CCCC3)n2)c[nH+]1 ZINC000823446313 1137099765 /nfs/dbraw/zinc/09/97/65/1137099765.db2.gz BAEHEGWUDUOMOE-UHFFFAOYSA-N 1 2 329.469 3.671 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001136767031 1137110440 /nfs/dbraw/zinc/11/04/40/1137110440.db2.gz GGABFJAPXFEWRT-GOSISDBHSA-N 1 2 347.462 3.779 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000861627100 1137115282 /nfs/dbraw/zinc/11/52/82/1137115282.db2.gz CLZUAAIXLHKKNR-QGZVFWFLSA-N 1 2 342.443 3.849 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)n1 ZINC000823836465 1137115649 /nfs/dbraw/zinc/11/56/49/1137115649.db2.gz HYDWGWKIVJHYCI-UHFFFAOYSA-N 1 2 340.402 3.828 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)[C@H]2C ZINC001171042134 1137122387 /nfs/dbraw/zinc/12/23/87/1137122387.db2.gz DVHLAJYBLAKYNY-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)[C@H]2C ZINC001171042134 1137122388 /nfs/dbraw/zinc/12/23/88/1137122388.db2.gz DVHLAJYBLAKYNY-DZGCQCFKSA-N 1 2 345.874 3.617 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000824296951 1137130963 /nfs/dbraw/zinc/13/09/63/1137130963.db2.gz MQVSWCNOVJZYBQ-AWEZNQCLSA-N 1 2 326.366 3.698 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000862240183 1137134294 /nfs/dbraw/zinc/13/42/94/1137134294.db2.gz HUJJSWCLFYTGEC-CYBMUJFWSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000862240183 1137134296 /nfs/dbraw/zinc/13/42/96/1137134296.db2.gz HUJJSWCLFYTGEC-CYBMUJFWSA-N 1 2 346.418 3.744 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000824521995 1137141148 /nfs/dbraw/zinc/14/11/48/1137141148.db2.gz PWNYKOUIPLQJLD-UHFFFAOYSA-N 1 2 345.752 3.751 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136930189 1137150226 /nfs/dbraw/zinc/15/02/26/1137150226.db2.gz BBYMAOOWQIUHQP-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cn1 ZINC001136930189 1137150227 /nfs/dbraw/zinc/15/02/27/1137150227.db2.gz BBYMAOOWQIUHQP-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1C ZINC000824815132 1137153448 /nfs/dbraw/zinc/15/34/48/1137153448.db2.gz ZRUPCJOBKMAELY-YOEHRIQHSA-N 1 2 338.398 3.539 20 0 EHADLO Cc1cccn2c(CN3CCO[C@](C)(c4ccc(F)cc4)C3)c[nH+]c12 ZINC001136965564 1137158461 /nfs/dbraw/zinc/15/84/61/1137158461.db2.gz VCHITIRWVZHNAK-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cnc12 ZINC001136965564 1137158462 /nfs/dbraw/zinc/15/84/62/1137158462.db2.gz VCHITIRWVZHNAK-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccn2c(C[N@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cnc12 ZINC001136965564 1137158464 /nfs/dbraw/zinc/15/84/64/1137158464.db2.gz VCHITIRWVZHNAK-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO COCCc1ccc(OC[C@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000824982797 1137160860 /nfs/dbraw/zinc/16/08/60/1137160860.db2.gz FBFMDEQQLXDPHN-INIZCTEOSA-N 1 2 328.456 3.821 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001136980614 1137162863 /nfs/dbraw/zinc/16/28/63/1137162863.db2.gz NSIOJTQBUSWREQ-KRWDZBQOSA-N 1 2 325.387 3.699 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(F)cc1F ZINC000825067662 1137164416 /nfs/dbraw/zinc/16/44/16/1137164416.db2.gz BKXNUHQUASDVPF-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cncc(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001136989521 1137165605 /nfs/dbraw/zinc/16/56/05/1137165605.db2.gz LUKIKGVRLAXKJI-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001136989521 1137165606 /nfs/dbraw/zinc/16/56/06/1137165606.db2.gz LUKIKGVRLAXKJI-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ncc(C2OCCO2)s1 ZINC000825215799 1137169200 /nfs/dbraw/zinc/16/92/00/1137169200.db2.gz WPZJHOCHFIPARN-OAHLLOKOSA-N 1 2 348.443 3.973 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ncc(C2OCCO2)s1 ZINC000825215799 1137169201 /nfs/dbraw/zinc/16/92/01/1137169201.db2.gz WPZJHOCHFIPARN-OAHLLOKOSA-N 1 2 348.443 3.973 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863254581 1137177783 /nfs/dbraw/zinc/17/77/83/1137177783.db2.gz JLYQHKMHDAMLGG-ZBFHGGJFSA-N 1 2 325.456 3.840 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000863254581 1137177785 /nfs/dbraw/zinc/17/77/85/1137177785.db2.gz JLYQHKMHDAMLGG-ZBFHGGJFSA-N 1 2 325.456 3.840 20 0 EHADLO COc1ccc2c(c1)CN(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C2=O ZINC000863257115 1137178271 /nfs/dbraw/zinc/17/82/71/1137178271.db2.gz MORNFRNNRPNAMA-IBGZPJMESA-N 1 2 340.398 3.585 20 0 EHADLO COc1ccc2c(c1)CN(C[N@H+]1CCC[C@H]1c1cccc(F)c1)C2=O ZINC000863257115 1137178273 /nfs/dbraw/zinc/17/82/73/1137178273.db2.gz MORNFRNNRPNAMA-IBGZPJMESA-N 1 2 340.398 3.585 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@@H+]1CCCc2sccc2C1 ZINC000863260432 1137178540 /nfs/dbraw/zinc/17/85/40/1137178540.db2.gz YLVPDYRYJLNHEV-INIZCTEOSA-N 1 2 328.437 3.647 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[N@H+]1CCCc2sccc2C1 ZINC000863260432 1137178541 /nfs/dbraw/zinc/17/85/41/1137178541.db2.gz YLVPDYRYJLNHEV-INIZCTEOSA-N 1 2 328.437 3.647 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000863265772 1137178784 /nfs/dbraw/zinc/17/87/84/1137178784.db2.gz VEWJRPOFCIPMFL-MOPGFXCFSA-N 1 2 337.423 3.678 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000863265772 1137178786 /nfs/dbraw/zinc/17/87/86/1137178786.db2.gz VEWJRPOFCIPMFL-MOPGFXCFSA-N 1 2 337.423 3.678 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171091219 1137179432 /nfs/dbraw/zinc/17/94/32/1137179432.db2.gz NYLNMEXYDGSCJZ-RBUKOAKNSA-N 1 2 343.854 3.571 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342193 1137181998 /nfs/dbraw/zinc/18/19/98/1137181998.db2.gz YQRAKAYXOHZEEX-BAABZTOOSA-N 1 2 338.546 3.910 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000863342193 1137181999 /nfs/dbraw/zinc/18/19/99/1137181999.db2.gz YQRAKAYXOHZEEX-BAABZTOOSA-N 1 2 338.546 3.910 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001143738961 1137193620 /nfs/dbraw/zinc/19/36/20/1137193620.db2.gz CTGCQVSLPJEYBY-CJNGLKHVSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001143738961 1137193621 /nfs/dbraw/zinc/19/36/21/1137193621.db2.gz CTGCQVSLPJEYBY-CJNGLKHVSA-N 1 2 327.827 3.879 20 0 EHADLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001143764644 1137196807 /nfs/dbraw/zinc/19/68/07/1137196807.db2.gz WGOBYJWETSLMFG-UHFFFAOYSA-N 1 2 343.377 3.737 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C3(c4cc(C)cc(C)c4)CC3)no2)c1 ZINC000863678485 1137199031 /nfs/dbraw/zinc/19/90/31/1137199031.db2.gz WQEWLDXTIUXYJH-SFHVURJKSA-N 1 2 349.434 3.823 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4c(Cl)n3)[C@H]2C1 ZINC000794560716 1137204140 /nfs/dbraw/zinc/20/41/40/1137204140.db2.gz NULBLMPZUAFNJZ-NJAFHUGGSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc4ccccc4c(Cl)n3)[C@H]2C1 ZINC000794560716 1137204142 /nfs/dbraw/zinc/20/41/42/1137204142.db2.gz NULBLMPZUAFNJZ-NJAFHUGGSA-N 1 2 346.858 3.657 20 0 EHADLO COC(=O)CC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143854837 1137206325 /nfs/dbraw/zinc/20/63/25/1137206325.db2.gz KLKKGTBJOOFEEG-UHFFFAOYSA-N 1 2 334.218 3.908 20 0 EHADLO Cc1cc(C[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)o1 ZINC000119725166 1137208750 /nfs/dbraw/zinc/20/87/50/1137208750.db2.gz FOSWAOCRSFYPIM-INIZCTEOSA-N 1 2 326.400 3.828 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCCOC2)O1 ZINC000794580244 1137209875 /nfs/dbraw/zinc/20/98/75/1137209875.db2.gz ASXAQZYGRTWWCA-LIRRHRJNSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCCOC2)O1 ZINC000794580244 1137209876 /nfs/dbraw/zinc/20/98/76/1137209876.db2.gz ASXAQZYGRTWWCA-LIRRHRJNSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1OC1CCCC1 ZINC000844314345 1137212067 /nfs/dbraw/zinc/21/20/67/1137212067.db2.gz CVEOBPCJEPEOOE-AWEZNQCLSA-N 1 2 343.427 3.803 20 0 EHADLO CCOc1ccc(F)c(C[NH+]2CCC(Oc3ccccn3)CC2)c1F ZINC001143937763 1137216133 /nfs/dbraw/zinc/21/61/33/1137216133.db2.gz ZNUXCZQGGOPEBF-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO CCC(CC)n1nccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939857 1137216625 /nfs/dbraw/zinc/21/66/25/1137216625.db2.gz PJQMIZJEWLUJMA-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(OCC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000844399302 1137216864 /nfs/dbraw/zinc/21/68/64/1137216864.db2.gz BGDFKRHPOOHRIO-GFCCVEGCSA-N 1 2 342.317 3.519 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001143946141 1137217133 /nfs/dbraw/zinc/21/71/33/1137217133.db2.gz BFXLUHZHSXHDEV-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001143946141 1137217135 /nfs/dbraw/zinc/21/71/35/1137217135.db2.gz BFXLUHZHSXHDEV-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001143931189 1137217770 /nfs/dbraw/zinc/21/77/70/1137217770.db2.gz QDGMOMIWTGPNAL-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001143931189 1137217771 /nfs/dbraw/zinc/21/77/71/1137217771.db2.gz QDGMOMIWTGPNAL-UHFFFAOYSA-N 1 2 339.386 3.544 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C)n1cc[nH+]c1 ZINC000844418438 1137219264 /nfs/dbraw/zinc/21/92/64/1137219264.db2.gz USYFCOIEVIOOPD-RYUDHWBXSA-N 1 2 346.818 3.679 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c1F ZINC001143984303 1137220880 /nfs/dbraw/zinc/22/08/80/1137220880.db2.gz SIVQPAYWOXOPDC-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794628138 1137221758 /nfs/dbraw/zinc/22/17/58/1137221758.db2.gz IGPRTXRLFHAWFU-CYBMUJFWSA-N 1 2 334.489 3.656 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794628138 1137221760 /nfs/dbraw/zinc/22/17/60/1137221760.db2.gz IGPRTXRLFHAWFU-CYBMUJFWSA-N 1 2 334.489 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@H](C(C)C)C3)c2=S)cc1 ZINC000794630316 1137221889 /nfs/dbraw/zinc/22/18/89/1137221889.db2.gz FWYNMEWKFVCLLV-HNNXBMFYSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@H](C(C)C)C3)c2=S)cc1 ZINC000794630316 1137221891 /nfs/dbraw/zinc/22/18/91/1137221891.db2.gz FWYNMEWKFVCLLV-HNNXBMFYSA-N 1 2 346.500 3.656 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cn1c(=O)oc2cccc(Br)c21 ZINC000794635239 1137222160 /nfs/dbraw/zinc/22/21/60/1137222160.db2.gz VYNPXVZOSPILLU-NSHDSACASA-N 1 2 339.233 3.579 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cn1c(=O)oc2cccc(Br)c21 ZINC000794635239 1137222161 /nfs/dbraw/zinc/22/21/61/1137222161.db2.gz VYNPXVZOSPILLU-NSHDSACASA-N 1 2 339.233 3.579 20 0 EHADLO CSc1ccccc1C[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000794657877 1137224789 /nfs/dbraw/zinc/22/47/89/1137224789.db2.gz VRYMONZAHOYEDO-KRWDZBQOSA-N 1 2 326.465 3.771 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000794657877 1137224790 /nfs/dbraw/zinc/22/47/90/1137224790.db2.gz VRYMONZAHOYEDO-KRWDZBQOSA-N 1 2 326.465 3.771 20 0 EHADLO CN(c1ccc(Nc2c3c(nn2C)CCC3)c[nH+]1)C1CCCCC1 ZINC001212613271 1137233999 /nfs/dbraw/zinc/23/39/99/1137233999.db2.gz LSVVLOCLGVPYIJ-UHFFFAOYSA-N 1 2 325.460 3.816 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1cc(Cl)ccc1OCC1CC1 ZINC000794720737 1137243517 /nfs/dbraw/zinc/24/35/17/1137243517.db2.gz SEFADHUMOWDMDX-UHFFFAOYSA-N 1 2 345.830 3.765 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001144127360 1137243884 /nfs/dbraw/zinc/24/38/84/1137243884.db2.gz ASWBBFJHWHSLEM-GOSISDBHSA-N 1 2 327.472 3.873 20 0 EHADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000864866927 1137249845 /nfs/dbraw/zinc/24/98/45/1137249845.db2.gz FUYQNCQFCGPMAM-DLBZAZTESA-N 1 2 331.847 3.627 20 0 EHADLO Cc1cc(Br)cc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001144221888 1137255022 /nfs/dbraw/zinc/25/50/22/1137255022.db2.gz KGLVHWSVWHIDRT-ZDUSSCGKSA-N 1 2 330.266 3.787 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3ccn(C)c3c2)n1 ZINC000864977696 1137256110 /nfs/dbraw/zinc/25/61/10/1137256110.db2.gz WEIPXSVWVURTBW-UHFFFAOYSA-N 1 2 342.468 3.729 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)c2ccccc2)ccc1Br ZINC001144233242 1137258048 /nfs/dbraw/zinc/25/80/48/1137258048.db2.gz DGETYYJWIDAXBR-UHFFFAOYSA-N 1 2 348.240 3.772 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)c2ccccc2)ccc1Br ZINC001144233242 1137258049 /nfs/dbraw/zinc/25/80/49/1137258049.db2.gz DGETYYJWIDAXBR-UHFFFAOYSA-N 1 2 348.240 3.772 20 0 EHADLO Cc1ccc2c(Cc3noc(Cc4cn5c([nH+]4)CCCC5)n3)c[nH]c2c1 ZINC000844846571 1137259399 /nfs/dbraw/zinc/25/93/99/1137259399.db2.gz SWPOODIDZAWIHT-UHFFFAOYSA-N 1 2 347.422 3.574 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065268 1137261167 /nfs/dbraw/zinc/26/11/67/1137261167.db2.gz JPYMJVJHBFIBNM-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO O=C(c1cc2c(ccnc2Cl)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140805 1137264990 /nfs/dbraw/zinc/26/49/90/1137264990.db2.gz KHAPSEVVLOIQLQ-JTQLQIEISA-N 1 2 346.843 3.693 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865141352 1137265059 /nfs/dbraw/zinc/26/50/59/1137265059.db2.gz RTDDRXRGBLTODH-AYYGCFCKSA-N 1 2 349.356 3.762 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000865158024 1137265964 /nfs/dbraw/zinc/26/59/64/1137265964.db2.gz FRONLZXWTSYULY-AWEZNQCLSA-N 1 2 346.862 3.706 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865424599 1137282602 /nfs/dbraw/zinc/28/26/02/1137282602.db2.gz ADVIYVROGUVGNQ-UHFFFAOYSA-N 1 2 341.238 3.703 20 0 EHADLO CC[C@@H](C)c1ccc(C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845279793 1137283239 /nfs/dbraw/zinc/28/32/39/1137283239.db2.gz OVCACXXLNUSZCR-CABCVRRESA-N 1 2 328.412 3.774 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1)n1cc[nH+]c1 ZINC000845276918 1137283302 /nfs/dbraw/zinc/28/33/02/1137283302.db2.gz DXOONKKEXXAEQH-CABCVRRESA-N 1 2 342.439 3.946 20 0 EHADLO C[C@@H](CC(=O)OCc1csc(Cc2ccccc2)n1)n1cc[nH+]c1 ZINC000845279928 1137283333 /nfs/dbraw/zinc/28/33/33/1137283333.db2.gz FTKNTRFJTVRGFY-AWEZNQCLSA-N 1 2 341.436 3.625 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)c(Br)c1 ZINC000794838342 1137284621 /nfs/dbraw/zinc/28/46/21/1137284621.db2.gz YIKKXGMTCUCQNU-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2OCC)nn1 ZINC000865479950 1137287407 /nfs/dbraw/zinc/28/74/07/1137287407.db2.gz HQHAQOLDXYETFQ-SFHVURJKSA-N 1 2 330.476 3.964 20 0 EHADLO CCCn1cc(C[NH2+][C@H](CC(C)C)c2ccccc2OCC)nn1 ZINC000865479949 1137287620 /nfs/dbraw/zinc/28/76/20/1137287620.db2.gz HQHAQOLDXYETFQ-GOSISDBHSA-N 1 2 330.476 3.964 20 0 EHADLO Fc1ccc(OC2C[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)cc1 ZINC001144415402 1137287962 /nfs/dbraw/zinc/28/79/62/1137287962.db2.gz HICTYIHSFCPSRO-UHFFFAOYSA-N 1 2 331.778 3.619 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nccc(C)c3Br)CC2)c1 ZINC000865490803 1137288294 /nfs/dbraw/zinc/28/82/94/1137288294.db2.gz GTHCVPVBGMXSSB-UHFFFAOYSA-N 1 2 347.256 3.940 20 0 EHADLO Cc1cc(NCc2ccc(C(=O)N3CCCC3)cc2)ccc1[NH+](C)C ZINC000865498992 1137289207 /nfs/dbraw/zinc/28/92/07/1137289207.db2.gz POCHHNLCZUPISV-UHFFFAOYSA-N 1 2 337.467 3.909 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000865510889 1137290368 /nfs/dbraw/zinc/29/03/68/1137290368.db2.gz OWNOVXKRLHADMJ-LADRHHBVSA-N 1 2 343.279 3.977 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845473909 1137294269 /nfs/dbraw/zinc/29/42/69/1137294269.db2.gz BWROARNBHAYHJN-GOSISDBHSA-N 1 2 326.440 3.635 20 0 EHADLO c1ccc(CNc2cc(N3CCC(c4cccnc4)CC3)nc[nH+]2)cc1 ZINC000865652908 1137301804 /nfs/dbraw/zinc/30/18/04/1137301804.db2.gz IJOIYPAVBRXRGH-UHFFFAOYSA-N 1 2 345.450 3.868 20 0 EHADLO c1ccc(CNc2cc(N3CCC(c4cccnc4)CC3)[nH+]cn2)cc1 ZINC000865652908 1137301807 /nfs/dbraw/zinc/30/18/07/1137301807.db2.gz IJOIYPAVBRXRGH-UHFFFAOYSA-N 1 2 345.450 3.868 20 0 EHADLO CCCCc1ccc(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845707713 1137305509 /nfs/dbraw/zinc/30/55/09/1137305509.db2.gz RUUZTVGCCKZEPP-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO CCCNc1cc(N[C@@H](C)c2nc(C(F)(F)F)cs2)nc[nH+]1 ZINC000865734985 1137307794 /nfs/dbraw/zinc/30/77/94/1137307794.db2.gz YTEWYPLVWUPILK-QMMMGPOBSA-N 1 2 331.367 3.947 20 0 EHADLO CCCNc1cc(N[C@@H](C)c2nc(C(F)(F)F)cs2)[nH+]cn1 ZINC000865734985 1137307796 /nfs/dbraw/zinc/30/77/96/1137307796.db2.gz YTEWYPLVWUPILK-QMMMGPOBSA-N 1 2 331.367 3.947 20 0 EHADLO Cn1ncc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1Cl ZINC000865790368 1137312216 /nfs/dbraw/zinc/31/22/16/1137312216.db2.gz SIHXPIFATKAJHI-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO COc1ccccc1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865804312 1137313155 /nfs/dbraw/zinc/31/31/55/1137313155.db2.gz WPUGCGMSDVRTAU-UHFFFAOYSA-N 1 2 339.361 3.537 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3noc4cc(F)ccc34)c1)O[C@H](C)C2 ZINC000865836461 1137315565 /nfs/dbraw/zinc/31/55/65/1137315565.db2.gz GYMFVYJEIJUZTM-LLVKDONJSA-N 1 2 342.370 3.589 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000120771395 1137316965 /nfs/dbraw/zinc/31/69/65/1137316965.db2.gz XJTHVPGKQAZDNN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000120771395 1137316967 /nfs/dbraw/zinc/31/69/67/1137316967.db2.gz XJTHVPGKQAZDNN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2F)cc1F ZINC000845901758 1137319143 /nfs/dbraw/zinc/31/91/43/1137319143.db2.gz KPNMGOAEZMZXNZ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2F)cc1F ZINC000845901758 1137319145 /nfs/dbraw/zinc/31/91/45/1137319145.db2.gz KPNMGOAEZMZXNZ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1F ZINC001144657733 1137323656 /nfs/dbraw/zinc/32/36/56/1137323656.db2.gz GAQZUDNTQAYOSO-MRXNPFEDSA-N 1 2 333.378 3.852 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1F ZINC001144657733 1137323657 /nfs/dbraw/zinc/32/36/57/1137323657.db2.gz GAQZUDNTQAYOSO-MRXNPFEDSA-N 1 2 333.378 3.852 20 0 EHADLO CCc1cc2c(CC(=O)NC[C@@H](C)Cn3cc[nH+]c3)csc2s1 ZINC000866002118 1137323882 /nfs/dbraw/zinc/32/38/82/1137323882.db2.gz NDQWGFYYXJUCCH-GFCCVEGCSA-N 1 2 347.509 3.717 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144666529 1137324571 /nfs/dbraw/zinc/32/45/71/1137324571.db2.gz MJSKEDNCZXGEDN-INIZCTEOSA-N 1 2 349.377 3.722 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144666529 1137324572 /nfs/dbraw/zinc/32/45/72/1137324572.db2.gz MJSKEDNCZXGEDN-INIZCTEOSA-N 1 2 349.377 3.722 20 0 EHADLO FC(F)(F)CCSCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000866183515 1137334019 /nfs/dbraw/zinc/33/40/19/1137334019.db2.gz BQIGXFNMGPJLRJ-UHFFFAOYSA-N 1 2 334.411 3.564 20 0 EHADLO FC(F)(F)CCSCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000866183515 1137334022 /nfs/dbraw/zinc/33/40/22/1137334022.db2.gz BQIGXFNMGPJLRJ-UHFFFAOYSA-N 1 2 334.411 3.564 20 0 EHADLO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000866237297 1137337677 /nfs/dbraw/zinc/33/76/77/1137337677.db2.gz IZJAKRQRMLWAIW-PXNSSMCTSA-N 1 2 341.430 3.633 20 0 EHADLO Cc1[nH+]cc(CN[C@@H]2c3ccccc3OC[C@@H]2F)n1-c1ccccc1 ZINC000866275049 1137341878 /nfs/dbraw/zinc/34/18/78/1137341878.db2.gz DOJJUMBVKLSCEC-AZUAARDMSA-N 1 2 337.398 3.742 20 0 EHADLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc2c(ccnc2Cl)o1 ZINC000866278112 1137342155 /nfs/dbraw/zinc/34/21/55/1137342155.db2.gz MRJSEWWSPKCYTA-VIFPVBQESA-N 1 2 336.848 3.855 20 0 EHADLO CCn1ncc(C[NH2+][C@H](Cc2cccc(F)c2)c2ccccc2F)n1 ZINC000866395229 1137351738 /nfs/dbraw/zinc/35/17/38/1137351738.db2.gz ODQYFDZXAGKMQX-LJQANCHMSA-N 1 2 342.393 3.650 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846811125 1137368411 /nfs/dbraw/zinc/36/84/11/1137368411.db2.gz IMXIOEXCCVTLIN-UHFFFAOYSA-N 1 2 333.838 3.975 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2noc3cc(F)ccc23)cc1OC ZINC000866608686 1137368757 /nfs/dbraw/zinc/36/87/57/1137368757.db2.gz DLPYBSORAJEFGJ-SNVBAGLBSA-N 1 2 348.349 3.974 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811979 1137369059 /nfs/dbraw/zinc/36/90/59/1137369059.db2.gz QUVAICNFBUZHPU-KPWVOAKYSA-N 1 2 340.851 3.805 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846811979 1137369061 /nfs/dbraw/zinc/36/90/61/1137369061.db2.gz QUVAICNFBUZHPU-KPWVOAKYSA-N 1 2 340.851 3.805 20 0 EHADLO CC(=O)C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000846942332 1137378060 /nfs/dbraw/zinc/37/80/60/1137378060.db2.gz VGUPUNHSMGLTBI-UHFFFAOYSA-N 1 2 328.481 3.729 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nnc(-c2cccc(C)c2)o1)OCC ZINC000846968784 1137379855 /nfs/dbraw/zinc/37/98/55/1137379855.db2.gz JHZLDYMCUJZDQI-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nnc(-c2cccc(C)c2)o1)OCC ZINC000846968784 1137379857 /nfs/dbraw/zinc/37/98/57/1137379857.db2.gz JHZLDYMCUJZDQI-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccnc(Cl)c3)n2)cc1 ZINC000121724224 1137383154 /nfs/dbraw/zinc/38/31/54/1137383154.db2.gz ZUDPEGXLWMOHHA-CYBMUJFWSA-N 1 2 342.830 3.780 20 0 EHADLO Cc1nn(C[N@@H+]2CCC3(CCC3)C2)c(=S)n1-c1ccccc1C ZINC000121836763 1137386543 /nfs/dbraw/zinc/38/65/43/1137386543.db2.gz HNFNZCOEOUVUJK-UHFFFAOYSA-N 1 2 328.485 3.854 20 0 EHADLO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c(=S)n1-c1ccccc1C ZINC000121836763 1137386545 /nfs/dbraw/zinc/38/65/45/1137386545.db2.gz HNFNZCOEOUVUJK-UHFFFAOYSA-N 1 2 328.485 3.854 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001171284136 1137393912 /nfs/dbraw/zinc/39/39/12/1137393912.db2.gz GDLABQXWVJGBRC-JTQLQIEISA-N 1 2 327.812 3.512 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001171284136 1137393914 /nfs/dbraw/zinc/39/39/14/1137393914.db2.gz GDLABQXWVJGBRC-JTQLQIEISA-N 1 2 327.812 3.512 20 0 EHADLO C[C@@H](CNC(=O)c1ccccc1NC1CCCCC1)Cn1cc[nH+]c1 ZINC001147456105 1137407648 /nfs/dbraw/zinc/40/76/48/1137407648.db2.gz FYOCMTFGNPOLLB-INIZCTEOSA-N 1 2 340.471 3.694 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001148462236 1137425266 /nfs/dbraw/zinc/42/52/66/1137425266.db2.gz QKHKHLJLPKAPPH-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)n1cc[nH+]c1 ZINC001148517175 1137426450 /nfs/dbraw/zinc/42/64/50/1137426450.db2.gz OWHAYPRLOULMOI-CQSZACIVSA-N 1 2 349.797 3.778 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000868996131 1137432155 /nfs/dbraw/zinc/43/21/55/1137432155.db2.gz YFPTYOSECDFYHP-UHFFFAOYSA-N 1 2 346.397 3.667 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869103693 1137436903 /nfs/dbraw/zinc/43/69/03/1137436903.db2.gz QHJGDMRCYXJCPA-LIRRHRJNSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869103693 1137436904 /nfs/dbraw/zinc/43/69/04/1137436904.db2.gz QHJGDMRCYXJCPA-LIRRHRJNSA-N 1 2 341.430 3.715 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(Br)c3cccnc23)n1 ZINC000348097484 1137439948 /nfs/dbraw/zinc/43/99/48/1137439948.db2.gz PNJKXSLMQQQTDD-VIFPVBQESA-N 1 2 347.216 3.540 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1cccnc1 ZINC000348125667 1137443542 /nfs/dbraw/zinc/44/35/42/1137443542.db2.gz YPOHOUUHORWYHH-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1cccnc1 ZINC000348125667 1137443545 /nfs/dbraw/zinc/44/35/45/1137443545.db2.gz YPOHOUUHORWYHH-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000282761181 1137446148 /nfs/dbraw/zinc/44/61/48/1137446148.db2.gz OGGHBCLHMNYRGV-OAHLLOKOSA-N 1 2 326.444 3.569 20 0 EHADLO Fc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1Cl ZINC000713628972 1137470532 /nfs/dbraw/zinc/47/05/32/1137470532.db2.gz KIYGCDYCCLQPOV-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(Br)s1 ZINC000714932269 1137474385 /nfs/dbraw/zinc/47/43/85/1137474385.db2.gz UNXFXPCMTBPJOS-NSHDSACASA-N 1 2 327.222 3.822 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171443120 1137485987 /nfs/dbraw/zinc/48/59/87/1137485987.db2.gz XIAXIADOASHXHS-RHSMWYFYSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171443120 1137485988 /nfs/dbraw/zinc/48/59/88/1137485988.db2.gz XIAXIADOASHXHS-RHSMWYFYSA-N 1 2 334.435 3.582 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000773295781 1137487025 /nfs/dbraw/zinc/48/70/25/1137487025.db2.gz WVBGCSVESOMUAR-OAHLLOKOSA-N 1 2 330.334 3.667 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000773295781 1137487027 /nfs/dbraw/zinc/48/70/27/1137487027.db2.gz WVBGCSVESOMUAR-OAHLLOKOSA-N 1 2 330.334 3.667 20 0 EHADLO Cc1nc2c(Cl)cccc2cc1C(=O)OCCCc1[nH+]ccn1C ZINC000870304705 1137487020 /nfs/dbraw/zinc/48/70/20/1137487020.db2.gz XXHOIKSJFJYLRE-UHFFFAOYSA-N 1 2 343.814 3.720 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1CCc3c(C)cccc3C1)[C@H]2C ZINC001171566969 1137498391 /nfs/dbraw/zinc/49/83/91/1137498391.db2.gz LQDNQNAKLGUWGV-WMZOPIPTSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1CCc3c(C)cccc3C1)[C@H]2C ZINC001171566969 1137498393 /nfs/dbraw/zinc/49/83/93/1137498393.db2.gz LQDNQNAKLGUWGV-WMZOPIPTSA-N 1 2 339.483 3.662 20 0 EHADLO COc1cc(C)[nH+]c(CNC2(C(=O)OC(C)(C)C)CCCCCC2)c1 ZINC001171719597 1137505940 /nfs/dbraw/zinc/50/59/40/1137505940.db2.gz WBIDYVZFOHOIDG-UHFFFAOYSA-N 1 2 348.487 3.923 20 0 EHADLO CN1CC[N@H+](Cc2nc3ccccc3s2)[C@@H](Cc2ccccc2)C1 ZINC001171735808 1137510657 /nfs/dbraw/zinc/51/06/57/1137510657.db2.gz YCBRDOQUTMAMLY-KRWDZBQOSA-N 1 2 337.492 3.655 20 0 EHADLO CN1CC[N@@H+](Cc2nc3ccccc3s2)[C@@H](Cc2ccccc2)C1 ZINC001171735808 1137510658 /nfs/dbraw/zinc/51/06/58/1137510658.db2.gz YCBRDOQUTMAMLY-KRWDZBQOSA-N 1 2 337.492 3.655 20 0 EHADLO C[C@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888456 1137517003 /nfs/dbraw/zinc/51/70/03/1137517003.db2.gz MRUJVLXJQJPWCD-DOTOQJQBSA-N 1 2 336.426 3.658 20 0 EHADLO C[C@H]1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888456 1137517004 /nfs/dbraw/zinc/51/70/04/1137517004.db2.gz MRUJVLXJQJPWCD-DOTOQJQBSA-N 1 2 336.426 3.658 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ncsc3C1)C2 ZINC001172104808 1137536345 /nfs/dbraw/zinc/53/63/45/1137536345.db2.gz DNSGUXCCTNIHIZ-WDNDVIMCSA-N 1 2 349.500 3.779 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ncsc3C1)C2 ZINC001172104808 1137536346 /nfs/dbraw/zinc/53/63/46/1137536346.db2.gz DNSGUXCCTNIHIZ-WDNDVIMCSA-N 1 2 349.500 3.779 20 0 EHADLO Cc1nc(Cl)ccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212647781 1137544791 /nfs/dbraw/zinc/54/47/91/1137544791.db2.gz UNPIGFBJIMZLJR-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)C(=O)Nc1ccc(C)cc1 ZINC000871873881 1137561641 /nfs/dbraw/zinc/56/16/41/1137561641.db2.gz XHBDZHAXQMJWQW-GOSISDBHSA-N 1 2 348.450 3.754 20 0 EHADLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl ZINC000871925212 1137563103 /nfs/dbraw/zinc/56/31/03/1137563103.db2.gz XSVVXUPEKQTFKZ-IINYFYTJSA-N 1 2 339.773 3.502 20 0 EHADLO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000872062285 1137569000 /nfs/dbraw/zinc/56/90/00/1137569000.db2.gz FQUZFIHJIDUBMQ-LBPRGKRZSA-N 1 2 342.365 3.594 20 0 EHADLO Cc1ccc(CN2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)cc1 ZINC001137056504 1137571173 /nfs/dbraw/zinc/57/11/73/1137571173.db2.gz WESYICSCSCPUSL-UHFFFAOYSA-N 1 2 337.442 3.933 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCC[C@@H](OC4CCC4)CC3)no2)cs1 ZINC000872277651 1137577279 /nfs/dbraw/zinc/57/72/79/1137577279.db2.gz TZPSJSIKDJROAA-OAHLLOKOSA-N 1 2 333.457 3.722 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCC[C@@H](OC4CCC4)CC3)no2)cs1 ZINC000872277651 1137577280 /nfs/dbraw/zinc/57/72/80/1137577280.db2.gz TZPSJSIKDJROAA-OAHLLOKOSA-N 1 2 333.457 3.722 20 0 EHADLO CC(C)(O)[C@H]1CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000872782144 1137584283 /nfs/dbraw/zinc/58/42/83/1137584283.db2.gz IXUSJEGZEAFROA-LBPRGKRZSA-N 1 2 335.245 3.595 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000873164401 1137591982 /nfs/dbraw/zinc/59/19/82/1137591982.db2.gz IKFYDCDKLHKLSS-LLVKDONJSA-N 1 2 326.849 3.500 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cn1 ZINC000873175147 1137592442 /nfs/dbraw/zinc/59/24/42/1137592442.db2.gz QBPNRPCAKODVBP-UHFFFAOYSA-N 1 2 342.487 3.719 20 0 EHADLO CCN(CC)c1ncc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)s1 ZINC000873175898 1137592559 /nfs/dbraw/zinc/59/25/59/1137592559.db2.gz WDLDUWGZFAXXFT-UHFFFAOYSA-N 1 2 348.516 3.782 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2noc3c2CC(C)(C)CC3)o1 ZINC000873175642 1137592562 /nfs/dbraw/zinc/59/25/62/1137592562.db2.gz NJNXNHIDEHLCHM-UHFFFAOYSA-N 1 2 340.427 3.771 20 0 EHADLO Nc1cnc(C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000873208952 1137594119 /nfs/dbraw/zinc/59/41/19/1137594119.db2.gz ZALHGYOTKAIBCS-OAHLLOKOSA-N 1 2 336.361 3.805 20 0 EHADLO Nc1cnc(C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000873208952 1137594120 /nfs/dbraw/zinc/59/41/20/1137594120.db2.gz ZALHGYOTKAIBCS-OAHLLOKOSA-N 1 2 336.361 3.805 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1Br ZINC000876535031 1137654909 /nfs/dbraw/zinc/65/49/09/1137654909.db2.gz JWOJIHZXNHVJBL-SNVBAGLBSA-N 1 2 337.183 3.927 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1Br ZINC000876535031 1137654910 /nfs/dbraw/zinc/65/49/10/1137654910.db2.gz JWOJIHZXNHVJBL-SNVBAGLBSA-N 1 2 337.183 3.927 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)n1cc[nH+]c1 ZINC000874126500 1137610761 /nfs/dbraw/zinc/61/07/61/1137610761.db2.gz SBPISEYYEBUUSO-CYBMUJFWSA-N 1 2 341.242 3.998 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC3(CCCC3)CC2)c1C ZINC000124984986 1137613657 /nfs/dbraw/zinc/61/36/57/1137613657.db2.gz GDEVHFZBWXCPQO-UHFFFAOYSA-N 1 2 331.460 3.573 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000874602974 1137618830 /nfs/dbraw/zinc/61/88/30/1137618830.db2.gz IQXJSVWAUSQTGA-OAHLLOKOSA-N 1 2 331.847 3.790 20 0 EHADLO Cc1ccc(N(C(=O)C[C@H](C)n2cc[nH+]c2)C2CCOCC2)cc1C ZINC000876045771 1137642898 /nfs/dbraw/zinc/64/28/98/1137642898.db2.gz MBWUCVDSMUZWJL-KRWDZBQOSA-N 1 2 341.455 3.663 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ncc(Cl)s1 ZINC001137103821 1137647466 /nfs/dbraw/zinc/64/74/66/1137647466.db2.gz LGMMJEUCCUJKGM-GFCCVEGCSA-N 1 2 339.867 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ncc(Cl)s1 ZINC001137103821 1137647467 /nfs/dbraw/zinc/64/74/67/1137647467.db2.gz LGMMJEUCCUJKGM-GFCCVEGCSA-N 1 2 339.867 3.642 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000876335731 1137649094 /nfs/dbraw/zinc/64/90/94/1137649094.db2.gz HGSWOYIGYWAEGX-UHFFFAOYSA-N 1 2 346.500 3.789 20 0 EHADLO C[N@@H+](Cc1cccnc1Br)C[C@@H]1OCCc2ccccc21 ZINC000876634675 1137657734 /nfs/dbraw/zinc/65/77/34/1137657734.db2.gz YLKSDHSGJVTMDJ-INIZCTEOSA-N 1 2 347.256 3.590 20 0 EHADLO C[N@H+](Cc1cccnc1Br)C[C@@H]1OCCc2ccccc21 ZINC000876634675 1137657735 /nfs/dbraw/zinc/65/77/35/1137657735.db2.gz YLKSDHSGJVTMDJ-INIZCTEOSA-N 1 2 347.256 3.590 20 0 EHADLO CCCn1cc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nn1 ZINC000876785018 1137661165 /nfs/dbraw/zinc/66/11/65/1137661165.db2.gz OBWYKRATJIEDDH-UHFFFAOYSA-N 1 2 347.466 3.915 20 0 EHADLO CCCn1cc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nn1 ZINC000876785018 1137661166 /nfs/dbraw/zinc/66/11/66/1137661166.db2.gz OBWYKRATJIEDDH-UHFFFAOYSA-N 1 2 347.466 3.915 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(OC[C@@H]3CCCO3)cc2)c1C ZINC000876826939 1137663009 /nfs/dbraw/zinc/66/30/09/1137663009.db2.gz KEJROTQWIHBQDW-SFHVURJKSA-N 1 2 342.439 3.877 20 0 EHADLO Cc1ccc([C@@H](CNCc2nc(Cl)cs2)[NH+]2CCCC2)o1 ZINC000877147186 1137671639 /nfs/dbraw/zinc/67/16/39/1137671639.db2.gz QIWPXAALRWVAPD-GFCCVEGCSA-N 1 2 325.865 3.625 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cc4c(cc[nH]c4=O)o3)CCO2)cc1 ZINC000877472548 1137677477 /nfs/dbraw/zinc/67/74/77/1137677477.db2.gz WJKRZWHWBAZEKR-LJQANCHMSA-N 1 2 338.407 3.669 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cc4c(cc[nH]c4=O)o3)CCO2)cc1 ZINC000877472548 1137677478 /nfs/dbraw/zinc/67/74/78/1137677478.db2.gz WJKRZWHWBAZEKR-LJQANCHMSA-N 1 2 338.407 3.669 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3c(ccnc3Cl)o2)[nH]1 ZINC000877475606 1137677634 /nfs/dbraw/zinc/67/76/34/1137677634.db2.gz UTKVCWILMLZINP-NXEZZACHSA-N 1 2 333.823 3.964 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1Br ZINC000877485795 1137678020 /nfs/dbraw/zinc/67/80/20/1137678020.db2.gz AEZKCYSEHOHREB-NXEZZACHSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1Br ZINC000877485795 1137678021 /nfs/dbraw/zinc/67/80/21/1137678021.db2.gz AEZKCYSEHOHREB-NXEZZACHSA-N 1 2 337.183 3.925 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877495355 1137678517 /nfs/dbraw/zinc/67/85/17/1137678517.db2.gz CNENPWNHSJEPOG-AWEZNQCLSA-N 1 2 341.455 3.847 20 0 EHADLO FC(F)(F)c1ccc(CC2C[NH+](Cc3ccc(Cl)nn3)C2)cc1 ZINC000877578743 1137681935 /nfs/dbraw/zinc/68/19/35/1137681935.db2.gz MXSQPQYQINIRPZ-UHFFFAOYSA-N 1 2 341.764 3.823 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)n1 ZINC000877645504 1137684184 /nfs/dbraw/zinc/68/41/84/1137684184.db2.gz NFTZICRFOBJYMK-HNNXBMFYSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)n1 ZINC000877645504 1137684185 /nfs/dbraw/zinc/68/41/85/1137684185.db2.gz NFTZICRFOBJYMK-HNNXBMFYSA-N 1 2 331.485 3.627 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137876753 1137684824 /nfs/dbraw/zinc/68/48/24/1137684824.db2.gz YTSZLXILUZDFSM-LBPRGKRZSA-N 1 2 344.833 3.699 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137876753 1137684825 /nfs/dbraw/zinc/68/48/25/1137684825.db2.gz YTSZLXILUZDFSM-LBPRGKRZSA-N 1 2 344.833 3.699 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)n1 ZINC000877732379 1137687026 /nfs/dbraw/zinc/68/70/26/1137687026.db2.gz DLRYRKIKWMBCPW-UHFFFAOYSA-N 1 2 335.185 3.537 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000877753436 1137687868 /nfs/dbraw/zinc/68/78/68/1137687868.db2.gz DILZNQCKGRILGF-UHFFFAOYSA-N 1 2 346.496 3.705 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2scnc2C2CC2)CCO1 ZINC000877755195 1137688200 /nfs/dbraw/zinc/68/82/00/1137688200.db2.gz FKWXGQLKUSZFPP-MRXNPFEDSA-N 1 2 330.453 3.603 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2scnc2C2CC2)CCO1 ZINC000877755195 1137688201 /nfs/dbraw/zinc/68/82/01/1137688201.db2.gz FKWXGQLKUSZFPP-MRXNPFEDSA-N 1 2 330.453 3.603 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(Cl)o3)C2)CC1 ZINC000877827378 1137692366 /nfs/dbraw/zinc/69/23/66/1137692366.db2.gz ZQWRDNASYCYANX-UHFFFAOYSA-N 1 2 340.851 3.766 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000126743178 1137692945 /nfs/dbraw/zinc/69/29/45/1137692945.db2.gz IBAFTFCGTSJNOG-HNNXBMFYSA-N 1 2 332.425 3.715 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000126743178 1137692946 /nfs/dbraw/zinc/69/29/46/1137692946.db2.gz IBAFTFCGTSJNOG-HNNXBMFYSA-N 1 2 332.425 3.715 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CCOC4)CCO2)cc1F ZINC000878041869 1137700428 /nfs/dbraw/zinc/70/04/28/1137700428.db2.gz PXVPIVMJCOSYPO-HXUWFJFHSA-N 1 2 345.389 3.611 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CCO2)cc1F ZINC000878041869 1137700429 /nfs/dbraw/zinc/70/04/29/1137700429.db2.gz PXVPIVMJCOSYPO-HXUWFJFHSA-N 1 2 345.389 3.611 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+](C)[C@@H](CO)c2ccccc2)co1 ZINC000878048175 1137700751 /nfs/dbraw/zinc/70/07/51/1137700751.db2.gz MXFGXJCPSSKVCP-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+](C)[C@@H](CO)c2ccccc2)co1 ZINC000878048175 1137700752 /nfs/dbraw/zinc/70/07/52/1137700752.db2.gz MXFGXJCPSSKVCP-SFHVURJKSA-N 1 2 338.407 3.516 20 0 EHADLO CC(C)(CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)CC(F)(F)F ZINC000878055087 1137700812 /nfs/dbraw/zinc/70/08/12/1137700812.db2.gz BINYJAQVYLHBAF-UHFFFAOYSA-N 1 2 343.393 3.667 20 0 EHADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCCC(C)(C)O1 ZINC000878138840 1137704187 /nfs/dbraw/zinc/70/41/87/1137704187.db2.gz HXXHVEHGYLWYNK-GOSISDBHSA-N 1 2 327.472 3.711 20 0 EHADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCCC(C)(C)O1 ZINC000878138840 1137704188 /nfs/dbraw/zinc/70/41/88/1137704188.db2.gz HXXHVEHGYLWYNK-GOSISDBHSA-N 1 2 327.472 3.711 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccn3C)cs2)n1 ZINC000878157186 1137705038 /nfs/dbraw/zinc/70/50/38/1137705038.db2.gz CGTMBLLTGSZUHO-QGZVFWFLSA-N 1 2 341.484 3.609 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccn3C)cs2)n1 ZINC000878157186 1137705039 /nfs/dbraw/zinc/70/50/39/1137705039.db2.gz CGTMBLLTGSZUHO-QGZVFWFLSA-N 1 2 341.484 3.609 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000878190385 1137706598 /nfs/dbraw/zinc/70/65/98/1137706598.db2.gz HIWNZBJKDVMOSB-HUUCEWRRSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000878190385 1137706599 /nfs/dbraw/zinc/70/65/99/1137706599.db2.gz HIWNZBJKDVMOSB-HUUCEWRRSA-N 1 2 338.879 3.722 20 0 EHADLO Clc1cccc(-c2nc(C[N@H+]3CCCSCC3)no2)c1Cl ZINC000878314676 1137710874 /nfs/dbraw/zinc/71/08/74/1137710874.db2.gz ZRJSHVIJQFNQSK-UHFFFAOYSA-N 1 2 344.267 3.982 20 0 EHADLO Clc1cccc(-c2nc(C[N@@H+]3CCCSCC3)no2)c1Cl ZINC000878314676 1137710873 /nfs/dbraw/zinc/71/08/73/1137710873.db2.gz ZRJSHVIJQFNQSK-UHFFFAOYSA-N 1 2 344.267 3.982 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccc(F)cc1F ZINC000878344714 1137711616 /nfs/dbraw/zinc/71/16/16/1137711616.db2.gz GDYMYOGFNXCKLJ-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)c(C)s1 ZINC000878350906 1137712078 /nfs/dbraw/zinc/71/20/78/1137712078.db2.gz NQCMJZODVLWKGW-NSHDSACASA-N 1 2 329.425 3.971 20 0 EHADLO COc1ccc(C2([NH2+]Cc3ncccc3Br)CC2)cc1 ZINC000878362731 1137712656 /nfs/dbraw/zinc/71/26/56/1137712656.db2.gz GBTACZFYJHAAAR-UHFFFAOYSA-N 1 2 333.229 3.632 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncccc2Br)C1 ZINC000878428885 1137715674 /nfs/dbraw/zinc/71/56/74/1137715674.db2.gz TZWVUVGUBIPHKT-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncccc2Br)C1 ZINC000878428885 1137715675 /nfs/dbraw/zinc/71/56/75/1137715675.db2.gz TZWVUVGUBIPHKT-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878608643 1137722155 /nfs/dbraw/zinc/72/21/55/1137722155.db2.gz YEXUXRAKIBPDNM-NSHDSACASA-N 1 2 331.256 3.578 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878608643 1137722156 /nfs/dbraw/zinc/72/21/56/1137722156.db2.gz YEXUXRAKIBPDNM-NSHDSACASA-N 1 2 331.256 3.578 20 0 EHADLO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(-n2cccn2)c(F)c1 ZINC000878652775 1137723883 /nfs/dbraw/zinc/72/38/83/1137723883.db2.gz VYJAMBVPYLSTFJ-ZDUSSCGKSA-N 1 2 340.402 3.729 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679298 1137724715 /nfs/dbraw/zinc/72/47/15/1137724715.db2.gz YRXIEOBBRXQCFK-DZGCQCFKSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679298 1137724716 /nfs/dbraw/zinc/72/47/16/1137724716.db2.gz YRXIEOBBRXQCFK-DZGCQCFKSA-N 1 2 338.879 3.722 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)CC[S@]1=O ZINC000878682916 1137725003 /nfs/dbraw/zinc/72/50/03/1137725003.db2.gz QKXIYUGBABJGGE-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)CC[S@]1=O ZINC000878682916 1137725004 /nfs/dbraw/zinc/72/50/04/1137725004.db2.gz QKXIYUGBABJGGE-JOCHJYFZSA-N 1 2 336.888 3.621 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878758365 1137727213 /nfs/dbraw/zinc/72/72/13/1137727213.db2.gz KUVWLKFPXPAPEX-FUHWJXTLSA-N 1 2 343.858 3.799 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878758365 1137727214 /nfs/dbraw/zinc/72/72/14/1137727214.db2.gz KUVWLKFPXPAPEX-FUHWJXTLSA-N 1 2 343.858 3.799 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878758364 1137727328 /nfs/dbraw/zinc/72/73/28/1137727328.db2.gz KUVWLKFPXPAPEX-AEFFLSMTSA-N 1 2 343.858 3.799 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878758364 1137727329 /nfs/dbraw/zinc/72/73/29/1137727329.db2.gz KUVWLKFPXPAPEX-AEFFLSMTSA-N 1 2 343.858 3.799 20 0 EHADLO CC[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1F ZINC000878843861 1137729833 /nfs/dbraw/zinc/72/98/33/1137729833.db2.gz KTQWYMAIGDSPJX-OAHLLOKOSA-N 1 2 330.432 3.924 20 0 EHADLO C[N@@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000878927543 1137732444 /nfs/dbraw/zinc/73/24/44/1137732444.db2.gz FDEVICJCYMOOHD-MRXNPFEDSA-N 1 2 349.356 3.747 20 0 EHADLO C[N@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000878927543 1137732445 /nfs/dbraw/zinc/73/24/45/1137732445.db2.gz FDEVICJCYMOOHD-MRXNPFEDSA-N 1 2 349.356 3.747 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)nc(Cl)c2)c1C ZINC000879118481 1137738552 /nfs/dbraw/zinc/73/85/52/1137738552.db2.gz NXUGMDUUXIWMFQ-UHFFFAOYSA-N 1 2 327.259 3.854 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)nc(Cl)c2)c1C ZINC000879118481 1137738553 /nfs/dbraw/zinc/73/85/53/1137738553.db2.gz NXUGMDUUXIWMFQ-UHFFFAOYSA-N 1 2 327.259 3.854 20 0 EHADLO O[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244875 1137742125 /nfs/dbraw/zinc/74/21/25/1137742125.db2.gz UIIAAVQQRFQOPC-HKUYNNGSSA-N 1 2 341.455 3.815 20 0 EHADLO O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244875 1137742126 /nfs/dbraw/zinc/74/21/26/1137742126.db2.gz UIIAAVQQRFQOPC-HKUYNNGSSA-N 1 2 341.455 3.815 20 0 EHADLO C[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(Cl)c(F)c1 ZINC000127653065 1137744335 /nfs/dbraw/zinc/74/43/35/1137744335.db2.gz HEMKUTCNWIBQLJ-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(Cl)c(F)c1 ZINC000127653065 1137744336 /nfs/dbraw/zinc/74/43/36/1137744336.db2.gz HEMKUTCNWIBQLJ-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000879448927 1137747960 /nfs/dbraw/zinc/74/79/60/1137747960.db2.gz GGWHICYFFRAOHL-UHFFFAOYSA-N 1 2 336.395 3.542 20 0 EHADLO O=C(Nc1cc(C2CC2)ccn1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879611514 1137752417 /nfs/dbraw/zinc/75/24/17/1137752417.db2.gz QADGZUNJKLJJBV-GOSISDBHSA-N 1 2 347.422 3.719 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636913 1137753047 /nfs/dbraw/zinc/75/30/47/1137753047.db2.gz SCMDWCTUMIWZOI-DZGCQCFKSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636913 1137753048 /nfs/dbraw/zinc/75/30/48/1137753048.db2.gz SCMDWCTUMIWZOI-DZGCQCFKSA-N 1 2 330.255 3.652 20 0 EHADLO CCO[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000879975052 1137763783 /nfs/dbraw/zinc/76/37/83/1137763783.db2.gz CNJDPXCLAGNODT-ZHALLVOQSA-N 1 2 345.487 3.516 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999653 1137764001 /nfs/dbraw/zinc/76/40/01/1137764001.db2.gz GXAPNYGPGYETAN-YGRLFVJLSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999653 1137764002 /nfs/dbraw/zinc/76/40/02/1137764002.db2.gz GXAPNYGPGYETAN-YGRLFVJLSA-N 1 2 334.769 3.941 20 0 EHADLO CC1(C)C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000888798383 1137766753 /nfs/dbraw/zinc/76/67/53/1137766753.db2.gz GYCXQISQIFYZDF-HOTGVXAUSA-N 1 2 343.496 3.722 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2coc(-c3cccc(F)c3)n2)(c2ccccc2)C1 ZINC000880223521 1137771322 /nfs/dbraw/zinc/77/13/22/1137771322.db2.gz IAJSDJSKJXZMLF-PUZFROQSSA-N 1 2 338.382 3.621 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2csc(C3CCCC3)n2)(c2ccccc2)C1 ZINC000880224112 1137771435 /nfs/dbraw/zinc/77/14/35/1137771435.db2.gz DSJJWJSUELJOFR-IZAXUBKRSA-N 1 2 328.481 3.941 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@@H](CF)C2)[nH]c2scc(-c3ccccc3)c21 ZINC000880295187 1137773719 /nfs/dbraw/zinc/77/37/19/1137773719.db2.gz PXJSVJNNZKQMGU-LBPRGKRZSA-N 1 2 343.427 3.855 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@@H](CF)C2)[nH]c2scc(-c3ccccc3)c21 ZINC000880295187 1137773720 /nfs/dbraw/zinc/77/37/20/1137773720.db2.gz PXJSVJNNZKQMGU-LBPRGKRZSA-N 1 2 343.427 3.855 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)nn1 ZINC000880389965 1137777634 /nfs/dbraw/zinc/77/76/34/1137777634.db2.gz VNUJGMAZIKPOSC-KRWDZBQOSA-N 1 2 330.501 3.713 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCCSC[C@H]2c2ccccc2)nn1 ZINC000880389965 1137777635 /nfs/dbraw/zinc/77/76/35/1137777635.db2.gz VNUJGMAZIKPOSC-KRWDZBQOSA-N 1 2 330.501 3.713 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132687 1137786853 /nfs/dbraw/zinc/78/68/53/1137786853.db2.gz UFRLEMMLDIKXIM-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO CCC(=O)CCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132687 1137786854 /nfs/dbraw/zinc/78/68/54/1137786854.db2.gz UFRLEMMLDIKXIM-UHFFFAOYSA-N 1 2 328.225 3.706 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1ncn(CC(F)(F)F)c1=S ZINC000128671922 1137791960 /nfs/dbraw/zinc/79/19/60/1137791960.db2.gz QELZVXJJAAXXRO-UHFFFAOYSA-N 1 2 344.406 3.764 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1ncn(CC(F)(F)F)c1=S ZINC000128671922 1137791961 /nfs/dbraw/zinc/79/19/61/1137791961.db2.gz QELZVXJJAAXXRO-UHFFFAOYSA-N 1 2 344.406 3.764 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c(=S)n1Cc1ccccc1 ZINC000128774977 1137798935 /nfs/dbraw/zinc/79/89/35/1137798935.db2.gz XUTIKYPAPGCOTD-HNNXBMFYSA-N 1 2 330.501 3.850 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C)CC2)c(=S)n1Cc1ccccc1 ZINC000128774977 1137798936 /nfs/dbraw/zinc/79/89/36/1137798936.db2.gz XUTIKYPAPGCOTD-HNNXBMFYSA-N 1 2 330.501 3.850 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C(C)C ZINC000882653001 1137830771 /nfs/dbraw/zinc/83/07/71/1137830771.db2.gz SCMZREWCFSVQLX-HNNXBMFYSA-N 1 2 341.455 3.996 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@H]1F)n1cc[nH+]c1 ZINC000882705248 1137832153 /nfs/dbraw/zinc/83/21/53/1137832153.db2.gz OPXLLLMSBQAELF-KZNAEPCWSA-N 1 2 329.419 3.612 20 0 EHADLO CC(C)c1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000882872633 1137836337 /nfs/dbraw/zinc/83/63/37/1137836337.db2.gz JLEGBMARBQNASV-LJQANCHMSA-N 1 2 334.423 3.573 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ncc(C2OCCO2)s1 ZINC000883207388 1137848683 /nfs/dbraw/zinc/84/86/83/1137848683.db2.gz LWVPJKNLIFKMGV-UHFFFAOYSA-N 1 2 344.440 3.560 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1nc(C(C)C)c[nH]1 ZINC000883213693 1137848934 /nfs/dbraw/zinc/84/89/34/1137848934.db2.gz NOXNSJYHEMVYFB-UHFFFAOYSA-N 1 2 341.459 3.922 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1sccc1Cl ZINC000883241059 1137850028 /nfs/dbraw/zinc/85/00/28/1137850028.db2.gz LMEHSIABUDANFL-LBPRGKRZSA-N 1 2 340.880 3.655 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc3cc(Br)ccc3o2)nn1C ZINC000883279942 1137852265 /nfs/dbraw/zinc/85/22/65/1137852265.db2.gz LLWZAQIWRBARPL-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000131554802 1137855739 /nfs/dbraw/zinc/85/57/39/1137855739.db2.gz JMSYTAVMYAWLPV-QFBILLFUSA-N 1 2 340.467 3.618 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000131554802 1137855740 /nfs/dbraw/zinc/85/57/40/1137855740.db2.gz JMSYTAVMYAWLPV-QFBILLFUSA-N 1 2 340.467 3.618 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2cc(CSCCO)cc[nH+]2)cc1 ZINC000132851708 1137870532 /nfs/dbraw/zinc/87/05/32/1137870532.db2.gz KMPUFGGUNINCDL-OAHLLOKOSA-N 1 2 346.496 3.749 20 0 EHADLO Cc1ccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000101678658 1137871268 /nfs/dbraw/zinc/87/12/68/1137871268.db2.gz NWPDDDZMMILCQD-OAHLLOKOSA-N 1 2 348.830 3.514 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101950516 1137872301 /nfs/dbraw/zinc/87/23/01/1137872301.db2.gz VZMOLXIVVHVDEX-UHFFFAOYSA-N 1 2 340.471 3.597 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc2ccccc2o1 ZINC000103299799 1137875831 /nfs/dbraw/zinc/87/58/31/1137875831.db2.gz WTDSWBJXKZMGCK-AWEZNQCLSA-N 1 2 338.411 3.737 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348247244 1137876342 /nfs/dbraw/zinc/87/63/42/1137876342.db2.gz NSZGGBDKVZPSTB-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348247244 1137876343 /nfs/dbraw/zinc/87/63/43/1137876343.db2.gz NSZGGBDKVZPSTB-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO Cc1ccsc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179787 1137885767 /nfs/dbraw/zinc/88/57/67/1137885767.db2.gz CJTXOZVCMIBPAL-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000429561463 1137887674 /nfs/dbraw/zinc/88/76/74/1137887674.db2.gz QYLOSMOXLHLSOQ-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000429561463 1137887675 /nfs/dbraw/zinc/88/76/75/1137887675.db2.gz QYLOSMOXLHLSOQ-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000348267178 1137889222 /nfs/dbraw/zinc/88/92/22/1137889222.db2.gz MJEUCAICJJYJGS-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO CCn1cc(C[N@H+](CC)[C@@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000883998709 1137889856 /nfs/dbraw/zinc/88/98/56/1137889856.db2.gz OTGVMVPJELVFPE-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO CCn1cc(C[N@@H+](CC)[C@@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000883998709 1137889857 /nfs/dbraw/zinc/88/98/57/1137889857.db2.gz OTGVMVPJELVFPE-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3ncnn3C(C)(C)C)c(C)c2c1 ZINC000282868159 1137890841 /nfs/dbraw/zinc/89/08/41/1137890841.db2.gz VAORYITVQQOBDZ-ZDUSSCGKSA-N 1 2 342.443 3.947 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000109281152 1137891710 /nfs/dbraw/zinc/89/17/10/1137891710.db2.gz AQKOYLLJGACPBP-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000800103664 1137897856 /nfs/dbraw/zinc/89/78/56/1137897856.db2.gz VBFFRODYCKIURT-ASNKMWSDSA-N 1 2 329.488 3.918 20 0 EHADLO CC[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069854 1137899008 /nfs/dbraw/zinc/89/90/08/1137899008.db2.gz OMOXNFARTVFKNR-INIZCTEOSA-N 1 2 342.443 3.616 20 0 EHADLO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000348289670 1137903332 /nfs/dbraw/zinc/90/33/32/1137903332.db2.gz KZZJGXWTIRVYEB-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(CC)cc2)cs1 ZINC000111375876 1137904449 /nfs/dbraw/zinc/90/44/49/1137904449.db2.gz NBXYXISQKQGIEW-STQMWFEESA-N 1 2 331.485 3.946 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000111376976 1137904519 /nfs/dbraw/zinc/90/45/19/1137904519.db2.gz ZIHNTKZISYSLGA-VHSXEESVSA-N 1 2 339.411 3.662 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111749974 1137905412 /nfs/dbraw/zinc/90/54/12/1137905412.db2.gz XAYHPMWFZNFYTR-UHFFFAOYSA-N 1 2 330.457 3.615 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000112699417 1137909354 /nfs/dbraw/zinc/90/93/54/1137909354.db2.gz LDYBHHSIWRBDIX-SFHVURJKSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000112699417 1137909355 /nfs/dbraw/zinc/90/93/55/1137909355.db2.gz LDYBHHSIWRBDIX-SFHVURJKSA-N 1 2 329.444 3.793 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348295070 1137912555 /nfs/dbraw/zinc/91/25/55/1137912555.db2.gz ZZCKJYDMSMWOIH-IBGZPJMESA-N 1 2 349.434 3.651 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC001202667691 1137915033 /nfs/dbraw/zinc/91/50/33/1137915033.db2.gz STYCHGNEKOYEAV-ZDUSSCGKSA-N 1 2 328.243 3.687 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000114747156 1137918753 /nfs/dbraw/zinc/91/87/53/1137918753.db2.gz QXDXENSHJMPSGJ-VHSXEESVSA-N 1 2 329.322 3.942 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C)c1 ZINC000114804221 1137918997 /nfs/dbraw/zinc/91/89/97/1137918997.db2.gz BJYIRAHKTATQGG-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000331941099 1137926407 /nfs/dbraw/zinc/92/64/07/1137926407.db2.gz RINONPQOBIIMOV-GOSISDBHSA-N 1 2 332.492 3.979 20 0 EHADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C)CC2)cc1 ZINC000116882938 1137928073 /nfs/dbraw/zinc/92/80/73/1137928073.db2.gz PZRXZRUDTGBIMN-UHFFFAOYSA-N 1 2 338.451 3.785 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c(C)o1 ZINC000332179214 1137934607 /nfs/dbraw/zinc/93/46/07/1137934607.db2.gz RMEDKPFSRCDCBY-JTQLQIEISA-N 1 2 330.457 3.951 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332292823 1137938656 /nfs/dbraw/zinc/93/86/56/1137938656.db2.gz JSLUYEUYIZAFEL-CYBMUJFWSA-N 1 2 328.416 3.529 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332349382 1137940976 /nfs/dbraw/zinc/94/09/76/1137940976.db2.gz SJYFCLFAHGSAFY-GXSJLCMTSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332349382 1137940977 /nfs/dbraw/zinc/94/09/77/1137940977.db2.gz SJYFCLFAHGSAFY-GXSJLCMTSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332349382 1137940978 /nfs/dbraw/zinc/94/09/78/1137940978.db2.gz SJYFCLFAHGSAFY-GXSJLCMTSA-N 1 2 325.771 3.508 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332349382 1137940979 /nfs/dbraw/zinc/94/09/79/1137940979.db2.gz SJYFCLFAHGSAFY-GXSJLCMTSA-N 1 2 325.771 3.508 20 0 EHADLO CC[N@H+](CCc1nccs1)Cn1c2ccccc2n(C)c1=S ZINC000134150418 1137943625 /nfs/dbraw/zinc/94/36/25/1137943625.db2.gz VFBJWPGWGBCFHM-UHFFFAOYSA-N 1 2 332.498 3.688 20 0 EHADLO CC[N@@H+](CCc1nccs1)Cn1c2ccccc2n(C)c1=S ZINC000134150418 1137943626 /nfs/dbraw/zinc/94/36/26/1137943626.db2.gz VFBJWPGWGBCFHM-UHFFFAOYSA-N 1 2 332.498 3.688 20 0 EHADLO COCCOc1ccccc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000120799494 1137952466 /nfs/dbraw/zinc/95/24/66/1137952466.db2.gz XKDWXZSHTGIBFQ-UHFFFAOYSA-N 1 2 342.464 3.954 20 0 EHADLO COCCOc1ccccc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000120799494 1137952467 /nfs/dbraw/zinc/95/24/67/1137952467.db2.gz XKDWXZSHTGIBFQ-UHFFFAOYSA-N 1 2 342.464 3.954 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000333134391 1137956273 /nfs/dbraw/zinc/95/62/73/1137956273.db2.gz FFQVUSOSIGGISH-BFDPJXHCSA-N 1 2 331.460 3.678 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000333134391 1137956274 /nfs/dbraw/zinc/95/62/74/1137956274.db2.gz FFQVUSOSIGGISH-BFDPJXHCSA-N 1 2 331.460 3.678 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCN4C(=O)c5ccccc5[C@H]4C3)ccc2c1 ZINC001137210937 1137961448 /nfs/dbraw/zinc/96/14/48/1137961448.db2.gz HVVVTRZUWVDEMK-OAQYLSRUSA-N 1 2 343.430 3.556 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCN4C(=O)c5ccccc5[C@H]4C3)ccc2c1 ZINC001137210937 1137961449 /nfs/dbraw/zinc/96/14/49/1137961449.db2.gz HVVVTRZUWVDEMK-OAQYLSRUSA-N 1 2 343.430 3.556 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000348326642 1137961986 /nfs/dbraw/zinc/96/19/86/1137961986.db2.gz SZCHAZXOGZUDMX-SNVBAGLBSA-N 1 2 345.390 3.892 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccccc2OCC(F)F)cs1 ZINC000886012610 1138032163 /nfs/dbraw/zinc/03/21/63/1138032163.db2.gz LERHRLQELOYNAN-LLVKDONJSA-N 1 2 342.411 3.784 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC2(CCC2)CO1 ZINC000886201859 1138058719 /nfs/dbraw/zinc/05/87/19/1138058719.db2.gz TXQPQDOITDLGDL-CYBMUJFWSA-N 1 2 333.457 3.579 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC2(CCC2)CO1 ZINC000886201859 1138058722 /nfs/dbraw/zinc/05/87/22/1138058722.db2.gz TXQPQDOITDLGDL-CYBMUJFWSA-N 1 2 333.457 3.579 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000886263820 1138062430 /nfs/dbraw/zinc/06/24/30/1138062430.db2.gz HXKPZEPDROVAMH-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412429 1138073866 /nfs/dbraw/zinc/07/38/66/1138073866.db2.gz GZUYSPVBYHELCN-AWEZNQCLSA-N 1 2 337.464 3.629 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412429 1138073867 /nfs/dbraw/zinc/07/38/67/1138073867.db2.gz GZUYSPVBYHELCN-AWEZNQCLSA-N 1 2 337.464 3.629 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000067123844 1138079942 /nfs/dbraw/zinc/07/99/42/1138079942.db2.gz LQKHARSSIMEYMM-UHFFFAOYSA-N 1 2 343.496 3.595 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Oc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000067245904 1138080423 /nfs/dbraw/zinc/08/04/23/1138080423.db2.gz UCDHSJIXBJEIQB-IBGZPJMESA-N 1 2 340.423 3.634 20 0 EHADLO COC(=O)c1cncc([C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000886521069 1138089269 /nfs/dbraw/zinc/08/92/69/1138089269.db2.gz TVKNDNFCSCOXSH-RHSMWYFYSA-N 1 2 346.427 3.526 20 0 EHADLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3)CC2)[nH]c1C ZINC000886670910 1138112145 /nfs/dbraw/zinc/11/21/45/1138112145.db2.gz YJNBWYXTNLWECR-MRXNPFEDSA-N 1 2 340.471 3.542 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714810 1138123934 /nfs/dbraw/zinc/12/39/34/1138123934.db2.gz VKAISDHEPUOYKA-XCLFUZPHSA-N 1 2 337.398 3.823 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cscc2Br)CC1 ZINC000886731070 1138128129 /nfs/dbraw/zinc/12/81/29/1138128129.db2.gz UGYKFROBVMPGHE-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000076347562 1138130854 /nfs/dbraw/zinc/13/08/54/1138130854.db2.gz PHLLRBJVMKUIAO-KRWDZBQOSA-N 1 2 340.423 3.528 20 0 EHADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000076347562 1138130855 /nfs/dbraw/zinc/13/08/55/1138130855.db2.gz PHLLRBJVMKUIAO-KRWDZBQOSA-N 1 2 340.423 3.528 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000886805633 1138145206 /nfs/dbraw/zinc/14/52/06/1138145206.db2.gz HWBRLHUIMYGCIA-OAHLLOKOSA-N 1 2 342.386 3.557 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000886805633 1138145207 /nfs/dbraw/zinc/14/52/07/1138145207.db2.gz HWBRLHUIMYGCIA-OAHLLOKOSA-N 1 2 342.386 3.557 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233011 1138186040 /nfs/dbraw/zinc/18/60/40/1138186040.db2.gz FWERVVCDGONIFU-AWEZNQCLSA-N 1 2 328.412 3.761 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233011 1138186041 /nfs/dbraw/zinc/18/60/41/1138186041.db2.gz FWERVVCDGONIFU-AWEZNQCLSA-N 1 2 328.412 3.761 20 0 EHADLO CC(C)C[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(C(F)(F)F)c1 ZINC000090969251 1138214747 /nfs/dbraw/zinc/21/47/47/1138214747.db2.gz HAOUODOIGXFDBE-CQSZACIVSA-N 1 2 326.366 3.711 20 0 EHADLO O=C(CC/C=C\c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348405780 1138220800 /nfs/dbraw/zinc/22/08/00/1138220800.db2.gz IZHNAMHYOMZJOD-WTKPLQERSA-N 1 2 331.419 3.982 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092728934 1138231191 /nfs/dbraw/zinc/23/11/91/1138231191.db2.gz XYFBCOFVOURJFE-LJQANCHMSA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092728934 1138231193 /nfs/dbraw/zinc/23/11/93/1138231193.db2.gz XYFBCOFVOURJFE-LJQANCHMSA-N 1 2 335.455 3.939 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000092975139 1138233565 /nfs/dbraw/zinc/23/35/65/1138233565.db2.gz PSORCTYTJCGRLL-LJQANCHMSA-N 1 2 337.398 3.789 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000092975139 1138233567 /nfs/dbraw/zinc/23/35/67/1138233567.db2.gz PSORCTYTJCGRLL-LJQANCHMSA-N 1 2 337.398 3.789 20 0 EHADLO CCOCC[N@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000093312627 1138235440 /nfs/dbraw/zinc/23/54/40/1138235440.db2.gz BIZJUXLNZFHEPK-GOSISDBHSA-N 1 2 337.423 3.794 20 0 EHADLO CCOCC[N@@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000093312627 1138235441 /nfs/dbraw/zinc/23/54/41/1138235441.db2.gz BIZJUXLNZFHEPK-GOSISDBHSA-N 1 2 337.423 3.794 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769081 1138240840 /nfs/dbraw/zinc/24/08/40/1138240840.db2.gz ULXMKOLNMROKKB-FZKQIMNGSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769081 1138240841 /nfs/dbraw/zinc/24/08/41/1138240841.db2.gz ULXMKOLNMROKKB-FZKQIMNGSA-N 1 2 330.453 3.669 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123587444 1138271933 /nfs/dbraw/zinc/27/19/33/1138271933.db2.gz PTDIVZKNHNUHCA-DOMZBBRYSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000124951818 1138297841 /nfs/dbraw/zinc/29/78/41/1138297841.db2.gz YZZVZIJJQLGKRS-YVEFUNNKSA-N 1 2 342.830 3.741 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)Cc1cccc(F)c1 ZINC000125602821 1138312102 /nfs/dbraw/zinc/31/21/02/1138312102.db2.gz DEDNSWDIGYXAPV-FRQCXROJSA-N 1 2 343.446 3.701 20 0 EHADLO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125885524 1138318374 /nfs/dbraw/zinc/31/83/74/1138318374.db2.gz GZZYHVGRXVLVHS-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125885524 1138318379 /nfs/dbraw/zinc/31/83/79/1138318379.db2.gz GZZYHVGRXVLVHS-OAHLLOKOSA-N 1 2 347.480 3.682 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000126032698 1138322139 /nfs/dbraw/zinc/32/21/39/1138322139.db2.gz MENWKSKILDOERV-UGSOOPFHSA-N 1 2 336.439 3.705 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000126186418 1138326118 /nfs/dbraw/zinc/32/61/18/1138326118.db2.gz GSFQBGNUFWKUTQ-IEBWSBKVSA-N 1 2 337.467 3.805 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126371531 1138329663 /nfs/dbraw/zinc/32/96/63/1138329663.db2.gz ZKLUZWOUYRGXCN-GKXYRXCGSA-N 1 2 329.831 3.659 20 0 EHADLO CCc1noc(CC)c1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212812404 1138343187 /nfs/dbraw/zinc/34/31/87/1138343187.db2.gz QLIABZOAVCTOOM-UHFFFAOYSA-N 1 2 335.367 3.702 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000127151266 1138347933 /nfs/dbraw/zinc/34/79/33/1138347933.db2.gz BFTBZFMTYUNFIR-CJNGLKHVSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)ccc2[nH+]1 ZINC000263787105 1138365531 /nfs/dbraw/zinc/36/55/31/1138365531.db2.gz HSCCBYIJXUQVNE-UHFFFAOYSA-N 1 2 348.410 3.529 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334092898 1138369801 /nfs/dbraw/zinc/36/98/01/1138369801.db2.gz PBEHKKNPDKMVID-IKGGRYGDSA-N 1 2 330.476 3.515 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000263841902 1138378932 /nfs/dbraw/zinc/37/89/32/1138378932.db2.gz QIBZAMYIIMAMFL-CYBMUJFWSA-N 1 2 338.411 3.806 20 0 EHADLO Brc1cccc2c1OCCC[C@@H]2[NH2+]Cc1nccs1 ZINC000128159360 1138382029 /nfs/dbraw/zinc/38/20/29/1138382029.db2.gz SGGNKPNHOKJLBG-LBPRGKRZSA-N 1 2 339.258 3.909 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128653678 1138395082 /nfs/dbraw/zinc/39/50/82/1138395082.db2.gz RAHUWJJVSRMJJT-XJKSGUPXSA-N 1 2 346.406 3.536 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000263957804 1138397988 /nfs/dbraw/zinc/39/79/88/1138397988.db2.gz HCNVVDUMXBDBRO-HNNXBMFYSA-N 1 2 340.471 3.665 20 0 EHADLO Cc1csc(NC2CC[NH+](Cc3csc(C4CC4)n3)CC2)n1 ZINC000336858347 1138416979 /nfs/dbraw/zinc/41/69/79/1138416979.db2.gz YIKFOIXEJXHTJK-UHFFFAOYSA-N 1 2 334.514 3.862 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCC2(CCCCC2)O1 ZINC000336878489 1138419123 /nfs/dbraw/zinc/41/91/23/1138419123.db2.gz FROMMVRMOJXKBH-AWEZNQCLSA-N 1 2 345.409 3.759 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCC2(CCCCC2)O1 ZINC000336878489 1138419125 /nfs/dbraw/zinc/41/91/25/1138419125.db2.gz FROMMVRMOJXKBH-AWEZNQCLSA-N 1 2 345.409 3.759 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000264191191 1138438547 /nfs/dbraw/zinc/43/85/47/1138438547.db2.gz GDSSZDRSYHBVBM-CQSZACIVSA-N 1 2 344.842 3.986 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000337005265 1138446124 /nfs/dbraw/zinc/44/61/24/1138446124.db2.gz YBCAALONHLGQSK-KGLIPLIRSA-N 1 2 339.468 3.796 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccoc3C3CC3)CC2)s1 ZINC000337018025 1138449172 /nfs/dbraw/zinc/44/91/72/1138449172.db2.gz NUBPHCHOSBOPRU-UHFFFAOYSA-N 1 2 344.480 3.739 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)[NH+]1CCOCC1 ZINC000264253954 1138455192 /nfs/dbraw/zinc/45/51/92/1138455192.db2.gz PGPQWIOSZVSVJI-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337134612 1138475262 /nfs/dbraw/zinc/47/52/62/1138475262.db2.gz CSUMHECXGQOTNO-RDJZCZTQSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337139265 1138476895 /nfs/dbraw/zinc/47/68/95/1138476895.db2.gz RSHCPMQEHLUBNR-SJORKVTESA-N 1 2 331.504 3.998 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccnn2C(C)C)cc1OC(F)F ZINC000337142966 1138478119 /nfs/dbraw/zinc/47/81/19/1138478119.db2.gz XSBQAGFPJOLKEV-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccnn2C(C)C)cc1OC(F)F ZINC000337142966 1138478121 /nfs/dbraw/zinc/47/81/21/1138478121.db2.gz XSBQAGFPJOLKEV-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000337167763 1138484081 /nfs/dbraw/zinc/48/40/81/1138484081.db2.gz AZRAZLVAQNBMAW-NSHDSACASA-N 1 2 332.329 3.535 20 0 EHADLO CCOc1ccc([C@@H](CC)[NH2+]Cc2nnc(C)s2)cc1OCC ZINC000543739694 1138484996 /nfs/dbraw/zinc/48/49/96/1138484996.db2.gz WNOMNEWJUHBOPA-CQSZACIVSA-N 1 2 335.473 3.885 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(C)cs1 ZINC000264369423 1138491547 /nfs/dbraw/zinc/49/15/47/1138491547.db2.gz LGVHILWJXPGPAP-JSGCOSHPSA-N 1 2 347.484 3.911 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)NCc1ccco1 ZINC000264464822 1138525119 /nfs/dbraw/zinc/52/51/19/1138525119.db2.gz HLPHUDBYCSEFAL-IBGZPJMESA-N 1 2 337.423 3.604 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)NCc1ccco1 ZINC000264464822 1138525122 /nfs/dbraw/zinc/52/51/22/1138525122.db2.gz HLPHUDBYCSEFAL-IBGZPJMESA-N 1 2 337.423 3.604 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCCc2ccccc21 ZINC000337325933 1138534517 /nfs/dbraw/zinc/53/45/17/1138534517.db2.gz BCKNIFPLKHDXHI-HXUWFJFHSA-N 1 2 349.478 3.808 20 0 EHADLO FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000337406211 1138559041 /nfs/dbraw/zinc/55/90/41/1138559041.db2.gz LUEIKZDQTGCNKR-QWHCGFSZSA-N 1 2 329.391 3.757 20 0 EHADLO Cn1ccnc1C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000264563319 1138559694 /nfs/dbraw/zinc/55/96/94/1138559694.db2.gz VGVGOOAMTMDIDH-NRFANRHFSA-N 1 2 333.435 3.624 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000337490721 1138585079 /nfs/dbraw/zinc/58/50/79/1138585079.db2.gz DWEHQKAIORFMRP-SRXBQZRASA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000337490721 1138585081 /nfs/dbraw/zinc/58/50/81/1138585081.db2.gz DWEHQKAIORFMRP-SRXBQZRASA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000337501413 1138588076 /nfs/dbraw/zinc/58/80/76/1138588076.db2.gz MBOLHYPVFWDKBB-CRIWCJIMSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000337501413 1138588078 /nfs/dbraw/zinc/58/80/78/1138588078.db2.gz MBOLHYPVFWDKBB-CRIWCJIMSA-N 1 2 345.430 3.952 20 0 EHADLO CC(C)(C)c1ccc(C2(CNC(=O)CCn3cc[nH+]c3)CCC2)cc1 ZINC000337532635 1138597128 /nfs/dbraw/zinc/59/71/28/1138597128.db2.gz FXGBNYOJAHDCHG-UHFFFAOYSA-N 1 2 339.483 3.809 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000337593996 1138615787 /nfs/dbraw/zinc/61/57/87/1138615787.db2.gz OBPQNSJAODNNIM-GOSISDBHSA-N 1 2 344.455 3.643 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1ccc2ccccc2c1 ZINC000337615369 1138621806 /nfs/dbraw/zinc/62/18/06/1138621806.db2.gz DIVQINFEPCDESV-IIBYNOLFSA-N 1 2 345.446 3.511 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000337684950 1138642984 /nfs/dbraw/zinc/64/29/84/1138642984.db2.gz PJFXJYUTQAXUFB-JXFKEZNVSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000337684950 1138642987 /nfs/dbraw/zinc/64/29/87/1138642987.db2.gz PJFXJYUTQAXUFB-JXFKEZNVSA-N 1 2 338.451 3.568 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000264845318 1138655757 /nfs/dbraw/zinc/65/57/57/1138655757.db2.gz XONAOVYCTKAPLS-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)sc2C1 ZINC000134029574 1138669509 /nfs/dbraw/zinc/66/95/09/1138669509.db2.gz CUGFHRHIOHGQAH-UHFFFAOYSA-N 1 2 335.498 3.742 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)sc2C1 ZINC000134029574 1138669511 /nfs/dbraw/zinc/66/95/11/1138669511.db2.gz CUGFHRHIOHGQAH-UHFFFAOYSA-N 1 2 335.498 3.742 20 0 EHADLO C[C@H](Cc1c(Cl)cccc1Cl)Nc1[nH+]cnc2c1cnn2C ZINC000337887985 1138691165 /nfs/dbraw/zinc/69/11/65/1138691165.db2.gz ZHFTYCCLVICFIO-SECBINFHSA-N 1 2 336.226 3.713 20 0 EHADLO O[C@H](C[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809656 1138706640 /nfs/dbraw/zinc/70/66/40/1138706640.db2.gz NLPVOZOZXFQEEW-HUUCEWRRSA-N 1 2 339.361 3.505 20 0 EHADLO O[C@H](C[C@H]1CCC[N@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809656 1138706643 /nfs/dbraw/zinc/70/66/43/1138706643.db2.gz NLPVOZOZXFQEEW-HUUCEWRRSA-N 1 2 339.361 3.505 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)s1 ZINC000338174908 1138774796 /nfs/dbraw/zinc/77/47/96/1138774796.db2.gz WGLUBJYBLQXJTQ-MRXNPFEDSA-N 1 2 339.468 3.525 20 0 EHADLO O=C([C@H]1CCc2ccccc21)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338261580 1138804586 /nfs/dbraw/zinc/80/45/86/1138804586.db2.gz OFRNVPOVFCWCSZ-OALUTQOASA-N 1 2 340.854 3.543 20 0 EHADLO C[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000136627918 1138806449 /nfs/dbraw/zinc/80/64/49/1138806449.db2.gz OQSFFVWQXDCOQV-IMJJTQAJSA-N 1 2 344.484 3.615 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cscc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000887767486 1138809664 /nfs/dbraw/zinc/80/96/64/1138809664.db2.gz MKGIETXPAHPWCJ-OAHLLOKOSA-N 1 2 336.407 3.815 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cscc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000887767486 1138809671 /nfs/dbraw/zinc/80/96/71/1138809671.db2.gz MKGIETXPAHPWCJ-OAHLLOKOSA-N 1 2 336.407 3.815 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)Cc1ccccc1 ZINC000265329958 1138813719 /nfs/dbraw/zinc/81/37/19/1138813719.db2.gz GBSHIKCSIXCDAI-QGZVFWFLSA-N 1 2 340.471 3.568 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000338395250 1138887033 /nfs/dbraw/zinc/88/70/33/1138887033.db2.gz JPBYJVORTODJGB-BHIYHBOVSA-N 1 2 347.503 3.524 20 0 EHADLO CCc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000338406384 1138895353 /nfs/dbraw/zinc/89/53/53/1138895353.db2.gz LJGKUOKYKRHZPJ-UXHICEINSA-N 1 2 349.478 3.664 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000338406377 1138895490 /nfs/dbraw/zinc/89/54/90/1138895490.db2.gz LJGKUOKYKRHZPJ-PMACEKPBSA-N 1 2 349.478 3.664 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265458500 1138908010 /nfs/dbraw/zinc/90/80/10/1138908010.db2.gz MYLXJFDSZLUPFO-GFCCVEGCSA-N 1 2 336.823 3.534 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000338475149 1138932485 /nfs/dbraw/zinc/93/24/85/1138932485.db2.gz MTXKKJYZXYMJDY-LJQANCHMSA-N 1 2 340.471 3.894 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000153795028 1139152045 /nfs/dbraw/zinc/15/20/45/1139152045.db2.gz XEQWALIQAIEOAH-DLBZAZTESA-N 1 2 343.471 3.535 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccoc1)C1CC1 ZINC000889091856 1139165793 /nfs/dbraw/zinc/16/57/93/1139165793.db2.gz HEOJYTPHEAESJN-GOSISDBHSA-N 1 2 335.407 3.716 20 0 EHADLO CCCC(CCC)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000890499509 1139366973 /nfs/dbraw/zinc/36/69/73/1139366973.db2.gz GVQONEZLXBNXTM-UHFFFAOYSA-N 1 2 337.533 3.824 20 0 EHADLO C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)Cc1cccs1 ZINC000173649735 1139369977 /nfs/dbraw/zinc/36/99/77/1139369977.db2.gz GTXPHZUVWXVWFJ-OAHLLOKOSA-N 1 2 346.500 3.513 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)s1 ZINC000174669285 1139434760 /nfs/dbraw/zinc/43/47/60/1139434760.db2.gz YNDYVMAHFIMSSL-SNVBAGLBSA-N 1 2 332.404 3.800 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 ZINC000175243984 1139474384 /nfs/dbraw/zinc/47/43/84/1139474384.db2.gz RILLRFYZWQWNNP-SMDDNHRTSA-N 1 2 335.860 3.561 20 0 EHADLO CCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000175857822 1139523238 /nfs/dbraw/zinc/52/32/38/1139523238.db2.gz BITCECIYECVOAK-KBPBESRZSA-N 1 2 335.473 3.562 20 0 EHADLO CCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000175857822 1139523241 /nfs/dbraw/zinc/52/32/41/1139523241.db2.gz BITCECIYECVOAK-KBPBESRZSA-N 1 2 335.473 3.562 20 0 EHADLO C[C@H](N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1(C)CC1 ZINC000175996451 1139532821 /nfs/dbraw/zinc/53/28/21/1139532821.db2.gz WGDKENAPDGPMAM-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000176044207 1139536793 /nfs/dbraw/zinc/53/67/93/1139536793.db2.gz YBIFGXWJYIJPMD-UHFFFAOYSA-N 1 2 327.428 3.538 20 0 EHADLO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000176385448 1139555265 /nfs/dbraw/zinc/55/52/65/1139555265.db2.gz UHYUNHFCDXVNNH-CWFSZBLJSA-N 1 2 333.435 3.592 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(C)CCC1 ZINC000176644911 1139571059 /nfs/dbraw/zinc/57/10/59/1139571059.db2.gz VCYMIPJCPFDFIU-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cscc1C ZINC000176974399 1139590188 /nfs/dbraw/zinc/59/01/88/1139590188.db2.gz JCNDPEPDKDIEGC-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000177517581 1139624170 /nfs/dbraw/zinc/62/41/70/1139624170.db2.gz UZWDGXCMMRQAKK-LRDDRELGSA-N 1 2 349.887 3.982 20 0 EHADLO CO[C@@H](C)c1nc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cs1 ZINC000177662994 1139632102 /nfs/dbraw/zinc/63/21/02/1139632102.db2.gz BTSUYWVPYHSUQM-HNNXBMFYSA-N 1 2 345.512 3.951 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177772999 1139641130 /nfs/dbraw/zinc/64/11/30/1139641130.db2.gz MMIPBNSDDGVWEY-UHFFFAOYSA-N 1 2 336.439 3.799 20 0 EHADLO CC[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1F ZINC000178129923 1139672755 /nfs/dbraw/zinc/67/27/55/1139672755.db2.gz VEFSFDNWZSRYLV-ZWKOTPCHSA-N 1 2 332.394 3.835 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000178515716 1139701453 /nfs/dbraw/zinc/70/14/53/1139701453.db2.gz VIVLNQGTUGRYKQ-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000178515716 1139701458 /nfs/dbraw/zinc/70/14/58/1139701458.db2.gz VIVLNQGTUGRYKQ-LBPRGKRZSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1 ZINC000179526179 1139763587 /nfs/dbraw/zinc/76/35/87/1139763587.db2.gz KDDQLGJNSYOGPU-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(OC(F)F)c1 ZINC000179583633 1139766654 /nfs/dbraw/zinc/76/66/54/1139766654.db2.gz WXXBJWVSVWAGTQ-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cs1 ZINC000179604061 1139767687 /nfs/dbraw/zinc/76/76/87/1139767687.db2.gz BDWWMMOMTRKMKR-SECBINFHSA-N 1 2 341.383 3.554 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cs1 ZINC000179604049 1139767759 /nfs/dbraw/zinc/76/77/59/1139767759.db2.gz BDWWMMOMTRKMKR-VIFPVBQESA-N 1 2 341.383 3.554 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccccc1Cl ZINC000180284059 1139824051 /nfs/dbraw/zinc/82/40/51/1139824051.db2.gz VJEGGYGHKJVGFK-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccccc1Cl ZINC000180284059 1139824058 /nfs/dbraw/zinc/82/40/58/1139824058.db2.gz VJEGGYGHKJVGFK-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(C(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180639220 1139852869 /nfs/dbraw/zinc/85/28/69/1139852869.db2.gz YCARSTRERSEDIA-TZMCWYRMSA-N 1 2 331.416 3.766 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000181028677 1139880803 /nfs/dbraw/zinc/88/08/03/1139880803.db2.gz SEDNEOSPRWODLP-ZDUSSCGKSA-N 1 2 342.830 3.759 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181322098 1139900345 /nfs/dbraw/zinc/90/03/45/1139900345.db2.gz JIVCGJLGWLQRAR-STQMWFEESA-N 1 2 344.415 3.561 20 0 EHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182314344 1139964577 /nfs/dbraw/zinc/96/45/77/1139964577.db2.gz INGUEEHIPLOFBB-GJZGRUSLSA-N 1 2 348.454 3.918 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(OC)c1OC1CCCC1)c1nccn1C ZINC000182963660 1140004402 /nfs/dbraw/zinc/00/44/02/1140004402.db2.gz IDTMJXLQEKZCIV-KRWDZBQOSA-N 1 2 343.471 3.991 20 0 EHADLO CCOc1ccccc1OCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000357441380 1140061990 /nfs/dbraw/zinc/06/19/90/1140061990.db2.gz NEFVTWLRVXGTHN-UHFFFAOYSA-N 1 2 339.395 3.531 20 0 EHADLO Cc1ccnc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000184153452 1140084039 /nfs/dbraw/zinc/08/40/39/1140084039.db2.gz ZMUSNUAEHANRPL-MJGOQNOKSA-N 1 2 347.422 3.637 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccco1 ZINC000184201958 1140087706 /nfs/dbraw/zinc/08/77/06/1140087706.db2.gz UIHDTLBQOJDDLX-WBVHZDCISA-N 1 2 330.428 3.610 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C)c1C)c1ccc(C)o1 ZINC000184634746 1140112676 /nfs/dbraw/zinc/11/26/76/1140112676.db2.gz OWZZTQYMIBLXAT-RDJZCZTQSA-N 1 2 330.428 3.509 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(C)o1 ZINC000184718081 1140116903 /nfs/dbraw/zinc/11/69/03/1140116903.db2.gz PVQBZEZRUAWVJR-GOSISDBHSA-N 1 2 338.407 3.657 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cncc(Br)c2)cs1 ZINC000184712902 1140117175 /nfs/dbraw/zinc/11/71/75/1140117175.db2.gz FYQUYOAJUAOOCH-SECBINFHSA-N 1 2 326.263 3.714 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cs1 ZINC000184729572 1140117585 /nfs/dbraw/zinc/11/75/85/1140117585.db2.gz XVOIVSNLMLRRCX-SECBINFHSA-N 1 2 341.839 3.787 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184749742 1140118933 /nfs/dbraw/zinc/11/89/33/1140118933.db2.gz HIODCVQOLXCEJV-UHFFFAOYSA-N 1 2 330.457 3.615 20 0 EHADLO CSCc1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000184798787 1140120517 /nfs/dbraw/zinc/12/05/17/1140120517.db2.gz XDMSYARBWVFYGZ-UHFFFAOYSA-N 1 2 330.457 3.568 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185646873 1140160964 /nfs/dbraw/zinc/16/09/64/1140160964.db2.gz ZTSGPHGENQAFBV-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185646873 1140160965 /nfs/dbraw/zinc/16/09/65/1140160965.db2.gz ZTSGPHGENQAFBV-IBGZPJMESA-N 1 2 344.842 3.872 20 0 EHADLO CCCCOc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000185811318 1140171595 /nfs/dbraw/zinc/17/15/95/1140171595.db2.gz BYLQQMKCDDISSX-CQSZACIVSA-N 1 2 349.862 3.782 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000186554346 1140210136 /nfs/dbraw/zinc/21/01/36/1140210136.db2.gz IWSOSZABZYJVQQ-FZMZJTMJSA-N 1 2 339.819 3.725 20 0 EHADLO c1csc([C@@H]2CSCCN2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000186658702 1140216094 /nfs/dbraw/zinc/21/60/94/1140216094.db2.gz CMFDPQDKAIBNMA-INIZCTEOSA-N 1 2 342.493 3.619 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CC2 ZINC000186811001 1140222412 /nfs/dbraw/zinc/22/24/12/1140222412.db2.gz YDFRVRDMURPYLY-GOSISDBHSA-N 1 2 330.428 3.775 20 0 EHADLO Cc1nc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000187001584 1140231723 /nfs/dbraw/zinc/23/17/23/1140231723.db2.gz JSXYEMQGIJDUQP-QGZVFWFLSA-N 1 2 338.436 3.615 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000187050072 1140234546 /nfs/dbraw/zinc/23/45/46/1140234546.db2.gz WBGDAGXFMNIOAT-SUMWQHHRSA-N 1 2 346.862 3.638 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000187222071 1140245054 /nfs/dbraw/zinc/24/50/54/1140245054.db2.gz BGPROQDMZIEOHB-UHFFFAOYSA-N 1 2 336.823 3.536 20 0 EHADLO Fc1ccccc1-c1noc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000187577528 1140261940 /nfs/dbraw/zinc/26/19/40/1140261940.db2.gz KYVJKWRGFAJFRG-UHFFFAOYSA-N 1 2 329.297 3.650 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(F)cc1Br)C1CC1 ZINC000187761454 1140270098 /nfs/dbraw/zinc/27/00/98/1140270098.db2.gz RYXBCPOLDGXBTK-AWEZNQCLSA-N 1 2 338.224 3.563 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1F ZINC000188479361 1140298005 /nfs/dbraw/zinc/29/80/05/1140298005.db2.gz VRUNPMXNEKCVNH-QMTHXVAHSA-N 1 2 342.208 3.956 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000192247813 1140513904 /nfs/dbraw/zinc/51/39/04/1140513904.db2.gz VJDLSQCZABBCJR-AWEZNQCLSA-N 1 2 349.425 3.766 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000192260168 1140516791 /nfs/dbraw/zinc/51/67/91/1140516791.db2.gz JZICTLHXSYFJSX-UHFFFAOYSA-N 1 2 339.483 3.877 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCc2occc21 ZINC000192315863 1140521886 /nfs/dbraw/zinc/52/18/86/1140521886.db2.gz OUIHYELKHADZEF-MRXNPFEDSA-N 1 2 344.459 3.538 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C)cc1C ZINC000192333669 1140523727 /nfs/dbraw/zinc/52/37/27/1140523727.db2.gz DUPZOHXUZYGMOG-UHFFFAOYSA-N 1 2 342.487 3.684 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cnc(-c3ccco3)s2)c1 ZINC000192754039 1140549543 /nfs/dbraw/zinc/54/95/43/1140549543.db2.gz GZHSHJIGZQBNKK-UHFFFAOYSA-N 1 2 347.465 3.636 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000193129506 1140565444 /nfs/dbraw/zinc/56/54/44/1140565444.db2.gz IOWHBJBQEAUDIR-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3ccc(F)cc3)nc(=O)c2c1C ZINC000193129506 1140565447 /nfs/dbraw/zinc/56/54/47/1140565447.db2.gz IOWHBJBQEAUDIR-LLVKDONJSA-N 1 2 345.443 3.934 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)cs1 ZINC000266186453 1140653010 /nfs/dbraw/zinc/65/30/10/1140653010.db2.gz HKENKYYCGYEUMQ-NSHDSACASA-N 1 2 332.425 3.895 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000266447461 1140688555 /nfs/dbraw/zinc/68/85/55/1140688555.db2.gz IKQNWTQKUZJCON-CJNGLKHVSA-N 1 2 329.469 3.606 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266993341 1140748414 /nfs/dbraw/zinc/74/84/14/1140748414.db2.gz YVUCUHNUHHLRCY-AWEZNQCLSA-N 1 2 342.443 3.999 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cs1 ZINC000267596294 1140807861 /nfs/dbraw/zinc/80/78/61/1140807861.db2.gz CHKKNICPHCNCOV-CYBMUJFWSA-N 1 2 342.468 3.839 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267983378 1140861027 /nfs/dbraw/zinc/86/10/27/1140861027.db2.gz MHPGBTXAVOBSTM-JTQLQIEISA-N 1 2 341.308 3.587 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](CCC3OCCCO3)CCO2)cc1Cl ZINC000267988107 1140862939 /nfs/dbraw/zinc/86/29/39/1140862939.db2.gz ZQCCEAODIFQHEF-HNNXBMFYSA-N 1 2 346.254 3.520 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](CCC3OCCCO3)CCO2)cc1Cl ZINC000267988107 1140862952 /nfs/dbraw/zinc/86/29/52/1140862952.db2.gz ZQCCEAODIFQHEF-HNNXBMFYSA-N 1 2 346.254 3.520 20 0 EHADLO CCCOc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1OC ZINC000268249359 1140908970 /nfs/dbraw/zinc/90/89/70/1140908970.db2.gz ZFBYYQBGKKSIHO-UHFFFAOYSA-N 1 2 349.500 3.923 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000268252086 1140910097 /nfs/dbraw/zinc/91/00/97/1140910097.db2.gz KKBJXCXHSWEEQC-QGZVFWFLSA-N 1 2 325.456 3.830 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268352221 1140925003 /nfs/dbraw/zinc/92/50/03/1140925003.db2.gz RGQFKLWQZLGMJS-BPQIPLTHSA-N 1 2 326.444 3.627 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268350099 1140925328 /nfs/dbraw/zinc/92/53/28/1140925328.db2.gz DEEPEYJBCKHLBJ-KXBFYZLASA-N 1 2 339.439 3.538 20 0 EHADLO CC(C)c1nc(C2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)no1 ZINC000268718105 1140976094 /nfs/dbraw/zinc/97/60/94/1140976094.db2.gz VCPKLLKJVVEKMN-UHFFFAOYSA-N 1 2 343.475 3.884 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)nnn1-c1ccc(C)cc1 ZINC000268836236 1141004197 /nfs/dbraw/zinc/00/41/97/1141004197.db2.gz GUOXEQGMMVGDRN-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO CCC(CC)n1ccc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000269332648 1141094437 /nfs/dbraw/zinc/09/44/37/1141094437.db2.gz INEYYVMPCWATKG-XMMPIXPASA-N 1 2 344.484 3.649 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000269601293 1141125754 /nfs/dbraw/zinc/12/57/54/1141125754.db2.gz WBHCWBCDFRBDNG-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000269601293 1141125758 /nfs/dbraw/zinc/12/57/58/1141125758.db2.gz WBHCWBCDFRBDNG-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269735538 1141140544 /nfs/dbraw/zinc/14/05/44/1141140544.db2.gz HZKILXDNYKEVSQ-LJQANCHMSA-N 1 2 339.483 3.947 20 0 EHADLO OCCC[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000269786997 1141144521 /nfs/dbraw/zinc/14/45/21/1141144521.db2.gz QFMXNVSCNJQNAN-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO OCCC[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000269786997 1141144523 /nfs/dbraw/zinc/14/45/23/1141144523.db2.gz QFMXNVSCNJQNAN-UHFFFAOYSA-N 1 2 330.375 3.547 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)CC(C)C)cs1 ZINC000270098701 1141178611 /nfs/dbraw/zinc/17/86/11/1141178611.db2.gz DAYHVQUMGOHCSO-UHFFFAOYSA-N 1 2 347.484 3.924 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)CC(C)C)cs1 ZINC000270098701 1141178614 /nfs/dbraw/zinc/17/86/14/1141178614.db2.gz DAYHVQUMGOHCSO-UHFFFAOYSA-N 1 2 347.484 3.924 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ncc(Br)s1 ZINC000270291015 1141202501 /nfs/dbraw/zinc/20/25/01/1141202501.db2.gz ZRVWCBAXNDECSR-KCJUWKMLSA-N 1 2 339.258 3.949 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)[nH]1 ZINC000270630783 1141247708 /nfs/dbraw/zinc/24/77/08/1141247708.db2.gz FTLRIAVOSKDRDG-SNVBAGLBSA-N 1 2 332.354 3.756 20 0 EHADLO CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)Cc2ccccc21 ZINC000270684290 1141256000 /nfs/dbraw/zinc/25/60/00/1141256000.db2.gz SFOWMFWPUWUIKV-UHFFFAOYSA-N 1 2 345.446 3.865 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270705627 1141259452 /nfs/dbraw/zinc/25/94/52/1141259452.db2.gz MYHJHQNWKGRRRG-HNNXBMFYSA-N 1 2 326.444 3.642 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271174457 1141319212 /nfs/dbraw/zinc/31/92/12/1141319212.db2.gz JQRFIDIETFCZRG-SNVBAGLBSA-N 1 2 335.502 3.674 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271174457 1141319217 /nfs/dbraw/zinc/31/92/17/1141319217.db2.gz JQRFIDIETFCZRG-SNVBAGLBSA-N 1 2 335.502 3.674 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000271259102 1141335288 /nfs/dbraw/zinc/33/52/88/1141335288.db2.gz YTSXPHJVILTPIE-UHFFFAOYSA-N 1 2 348.468 3.612 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000271284265 1141339167 /nfs/dbraw/zinc/33/91/67/1141339167.db2.gz CSMTYRWMOHNFGM-IBGZPJMESA-N 1 2 332.407 3.553 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cnc3ccccc3c2)c(C(F)(F)F)n1 ZINC000271379826 1141354330 /nfs/dbraw/zinc/35/43/30/1141354330.db2.gz RGYPXTJIIFZFHM-UHFFFAOYSA-N 1 2 334.345 3.619 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cnc3ccccc3c2)c(C(F)(F)F)n1 ZINC000271379826 1141354334 /nfs/dbraw/zinc/35/43/34/1141354334.db2.gz RGYPXTJIIFZFHM-UHFFFAOYSA-N 1 2 334.345 3.619 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2nonc2C)cc1OC ZINC000271645118 1141411593 /nfs/dbraw/zinc/41/15/93/1141411593.db2.gz DEHRRXSAWBIBGB-ZDUSSCGKSA-N 1 2 333.432 3.806 20 0 EHADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)n[nH]1 ZINC000271651943 1141412901 /nfs/dbraw/zinc/41/29/01/1141412901.db2.gz VFWIGWXNBVCOJZ-ZDUSSCGKSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)[nH]n1 ZINC000271651943 1141412906 /nfs/dbraw/zinc/41/29/06/1141412906.db2.gz VFWIGWXNBVCOJZ-ZDUSSCGKSA-N 1 2 346.862 3.578 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1 ZINC000274209126 1141485833 /nfs/dbraw/zinc/48/58/33/1141485833.db2.gz SQJILTGOUBESEX-OAHLLOKOSA-N 1 2 343.496 3.786 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)ccc1OC(F)F ZINC000274208909 1141485962 /nfs/dbraw/zinc/48/59/62/1141485962.db2.gz MMPWQLSYBDVAAP-RKDXNWHRSA-N 1 2 343.399 3.868 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274243943 1141489301 /nfs/dbraw/zinc/48/93/01/1141489301.db2.gz GVAOTIRSCBOSHC-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274243943 1141489303 /nfs/dbraw/zinc/48/93/03/1141489303.db2.gz GVAOTIRSCBOSHC-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc4ccsc43)sc2C1 ZINC000274274938 1141492031 /nfs/dbraw/zinc/49/20/31/1141492031.db2.gz SIFDEOXEUVFQCH-UHFFFAOYSA-N 1 2 329.450 3.598 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cccc4ccsc43)sc2C1 ZINC000274274938 1141492032 /nfs/dbraw/zinc/49/20/32/1141492032.db2.gz SIFDEOXEUVFQCH-UHFFFAOYSA-N 1 2 329.450 3.598 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274332038 1141498464 /nfs/dbraw/zinc/49/84/64/1141498464.db2.gz RGUWKVWHJBSROV-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000274332038 1141498467 /nfs/dbraw/zinc/49/84/67/1141498467.db2.gz RGUWKVWHJBSROV-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1cccnc1)Cc1ccccc1Cl ZINC000339259008 1141542642 /nfs/dbraw/zinc/54/26/42/1141542642.db2.gz UXFSTFKGAJLTSU-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cccnc1)Cc1ccccc1Cl ZINC000339259008 1141542646 /nfs/dbraw/zinc/54/26/46/1141542646.db2.gz UXFSTFKGAJLTSU-HNNXBMFYSA-N 1 2 345.874 3.777 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000348706307 1141568399 /nfs/dbraw/zinc/56/83/99/1141568399.db2.gz HFMNKRCPVDDWIT-UHFFFAOYSA-N 1 2 348.337 3.518 20 0 EHADLO Fc1cc(F)cc(C2CC(Nc3ccc(Cn4cc[nH+]c4)cn3)C2)c1 ZINC000348838167 1141593062 /nfs/dbraw/zinc/59/30/62/1141593062.db2.gz NDTYQCKNGJSDOU-UHFFFAOYSA-N 1 2 340.377 3.963 20 0 EHADLO CN(C)CC[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000348934003 1141611547 /nfs/dbraw/zinc/61/15/47/1141611547.db2.gz LDGYQZACIWTDOW-UHFFFAOYSA-N 1 2 335.451 3.504 20 0 EHADLO CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000348934003 1141611549 /nfs/dbraw/zinc/61/15/49/1141611549.db2.gz LDGYQZACIWTDOW-UHFFFAOYSA-N 1 2 335.451 3.504 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349076186 1141633865 /nfs/dbraw/zinc/63/38/65/1141633865.db2.gz CEZYXHMVPKLEKU-FXAWDEMLSA-N 1 2 345.446 3.966 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000122652797 222131668 /nfs/dbraw/zinc/13/16/68/222131668.db2.gz LQJIGBMDNKCCSY-NWDGAFQWSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000122652797 222131672 /nfs/dbraw/zinc/13/16/72/222131672.db2.gz LQJIGBMDNKCCSY-NWDGAFQWSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@H](C)c1nc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cs1 ZINC000275524211 564009119 /nfs/dbraw/zinc/00/91/19/564009119.db2.gz BTMBLFNFFQQFGF-MLGOLLRUSA-N 1 2 346.500 3.790 20 0 EHADLO CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432638453 564175755 /nfs/dbraw/zinc/17/57/55/564175755.db2.gz LBYBZGBAJYMOOZ-MRXNPFEDSA-N 1 2 342.349 3.941 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531022 609323855 /nfs/dbraw/zinc/32/38/55/609323855.db2.gz OBKKIEDNUGXFOL-NXEZZACHSA-N 1 2 347.344 3.696 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)n2c1 ZINC000278701801 1032059765 /nfs/dbraw/zinc/05/97/65/1032059765.db2.gz JRKGAVZJFAGLPK-JTQLQIEISA-N 1 2 340.374 3.969 20 0 EHADLO OCC[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000305762079 1125462836 /nfs/dbraw/zinc/46/28/36/1125462836.db2.gz FGGCVQIEBJJCPQ-KRWDZBQOSA-N 1 2 326.371 3.694 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001588748772 961205729 /nfs/dbraw/zinc/20/57/29/961205729.db2.gz VFMHAMRSJJZBQP-QGZVFWFLSA-N 1 2 341.455 3.716 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001588748772 961205743 /nfs/dbraw/zinc/20/57/43/961205743.db2.gz VFMHAMRSJJZBQP-QGZVFWFLSA-N 1 2 341.455 3.716 20 0 EHADLO Cc1cn2cc(NC(=O)COc3cccc4ccccc43)ccc2[nH+]1 ZINC000339273831 1014140734 /nfs/dbraw/zinc/14/07/34/1014140734.db2.gz SFGWAVMFCADOEP-UHFFFAOYSA-N 1 2 331.375 3.813 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000654706884 1014164861 /nfs/dbraw/zinc/16/48/61/1014164861.db2.gz PFNVAXSGBNKZDY-LBPRGKRZSA-N 1 2 340.418 3.513 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCC(F)(F)CC1 ZINC000654706884 1014164865 /nfs/dbraw/zinc/16/48/65/1014164865.db2.gz PFNVAXSGBNKZDY-LBPRGKRZSA-N 1 2 340.418 3.513 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000044568628 1014171877 /nfs/dbraw/zinc/17/18/77/1014171877.db2.gz RIYBFILBFOQISA-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCc1ccccc1Cl ZINC000343725508 1032085762 /nfs/dbraw/zinc/08/57/62/1032085762.db2.gz FVINRDMWMHZMBS-KRWDZBQOSA-N 1 2 333.863 3.686 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCc1ccccc1Cl ZINC000343725508 1032085769 /nfs/dbraw/zinc/08/57/69/1032085769.db2.gz FVINRDMWMHZMBS-KRWDZBQOSA-N 1 2 333.863 3.686 20 0 EHADLO C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001592445070 978108317 /nfs/dbraw/zinc/10/83/17/978108317.db2.gz JCEIRGMNKABMSD-HKUYNNGSSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001592445070 978108324 /nfs/dbraw/zinc/10/83/24/978108324.db2.gz JCEIRGMNKABMSD-HKUYNNGSSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339444889 1014499795 /nfs/dbraw/zinc/49/97/95/1014499795.db2.gz PVTGIEOIBBOXQM-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000339444889 1014499801 /nfs/dbraw/zinc/49/98/01/1014499801.db2.gz PVTGIEOIBBOXQM-CYBMUJFWSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@H]1CCC[C@@]1(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498100 1032094343 /nfs/dbraw/zinc/09/43/43/1032094343.db2.gz UZRXJBFYCVCTFH-MGPUTAFESA-N 1 2 341.455 3.647 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000339465171 1014535522 /nfs/dbraw/zinc/53/55/22/1014535522.db2.gz BXRUFDIGFDKSOB-INIZCTEOSA-N 1 2 343.496 3.652 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000654893695 1014559964 /nfs/dbraw/zinc/55/99/64/1014559964.db2.gz OWQHLFNSANPTCT-IAQYHMDHSA-N 1 2 337.345 3.683 20 0 EHADLO CC(C)CCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498080 1032095225 /nfs/dbraw/zinc/09/52/25/1032095225.db2.gz UHAGGADLWHLRTM-UHFFFAOYSA-N 1 2 329.444 3.548 20 0 EHADLO Cc1ccc2oc(C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2c1 ZINC000120174825 1014576217 /nfs/dbraw/zinc/57/62/17/1014576217.db2.gz FPAIODCNSWRVCH-HNNXBMFYSA-N 1 2 337.423 3.570 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c(Cl)c1OC ZINC000648074368 1014609805 /nfs/dbraw/zinc/60/98/05/1014609805.db2.gz UTIDSXBMUDCLPV-GFCCVEGCSA-N 1 2 325.836 3.501 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c(Cl)c1OC ZINC000648074368 1014609809 /nfs/dbraw/zinc/60/98/09/1014609809.db2.gz UTIDSXBMUDCLPV-GFCCVEGCSA-N 1 2 325.836 3.501 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)ccn12 ZINC000654951764 1014654885 /nfs/dbraw/zinc/65/48/85/1014654885.db2.gz GFBXAAPRTAHCEE-LPHOPBHVSA-N 1 2 349.434 3.540 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nc1 ZINC000339596195 1015134944 /nfs/dbraw/zinc/13/49/44/1015134944.db2.gz XKEITKQBKWMXRD-UHFFFAOYSA-N 1 2 336.395 3.901 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CC1 ZINC000748082147 1015336354 /nfs/dbraw/zinc/33/63/54/1015336354.db2.gz GEURGKJMEBJTLU-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CC1 ZINC000748082147 1015336362 /nfs/dbraw/zinc/33/63/62/1015336362.db2.gz GEURGKJMEBJTLU-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000655341301 1015370600 /nfs/dbraw/zinc/37/06/00/1015370600.db2.gz PZDOQBZTBBBXOH-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430255394 1015388321 /nfs/dbraw/zinc/38/83/21/1015388321.db2.gz WCOJJWCKVJVGCX-UHFFFAOYSA-N 1 2 340.492 3.585 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045407963 1015399863 /nfs/dbraw/zinc/39/98/63/1015399863.db2.gz BHYJQYSVAGWMTM-CZUORRHYSA-N 1 2 334.851 3.622 20 0 EHADLO CCOc1cc(/C=C/C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1O ZINC000179465811 1015397503 /nfs/dbraw/zinc/39/75/03/1015397503.db2.gz UDPKUDVJOCNFKE-ONNFQVAWSA-N 1 2 349.390 3.833 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(F)c1 ZINC000655360977 1015411024 /nfs/dbraw/zinc/41/10/24/1015411024.db2.gz RSAFYMGANYROFQ-ZDUSSCGKSA-N 1 2 333.407 3.791 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(F)c1 ZINC000655360977 1015411031 /nfs/dbraw/zinc/41/10/31/1015411031.db2.gz RSAFYMGANYROFQ-ZDUSSCGKSA-N 1 2 333.407 3.791 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260466 1015472434 /nfs/dbraw/zinc/47/24/34/1015472434.db2.gz QAOSGXPUDNVZIP-UHQDVWGKSA-N 1 2 325.399 3.684 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260466 1015472437 /nfs/dbraw/zinc/47/24/37/1015472437.db2.gz QAOSGXPUDNVZIP-UHQDVWGKSA-N 1 2 325.399 3.684 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266435 1015553525 /nfs/dbraw/zinc/55/35/25/1015553525.db2.gz YABZZNRBLKSMHM-TZMCWYRMSA-N 1 2 340.423 3.860 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266435 1015553538 /nfs/dbraw/zinc/55/35/38/1015553538.db2.gz YABZZNRBLKSMHM-TZMCWYRMSA-N 1 2 340.423 3.860 20 0 EHADLO COc1ccccc1/C=C/C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000536684521 1032122026 /nfs/dbraw/zinc/12/20/26/1032122026.db2.gz JAOACZXNAAXVKX-FNORWQNLSA-N 1 2 346.377 3.557 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000536684521 1032122029 /nfs/dbraw/zinc/12/20/29/1032122029.db2.gz JAOACZXNAAXVKX-FNORWQNLSA-N 1 2 346.377 3.557 20 0 EHADLO C/C=C(\C=C\C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)CC ZINC000154635191 1015664145 /nfs/dbraw/zinc/66/41/45/1015664145.db2.gz RCPSGDLOFRYORY-QFSRRXHCSA-N 1 2 328.456 3.678 20 0 EHADLO CCC[N@H+](Cc1cc(OC)cc(C)n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000339826954 1015708752 /nfs/dbraw/zinc/70/87/52/1015708752.db2.gz MBBICHIRMPVAOP-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)cc(C)n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000339826954 1015708757 /nfs/dbraw/zinc/70/87/57/1015708757.db2.gz MBBICHIRMPVAOP-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO COc1cc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)ccn1 ZINC000339866197 1015792069 /nfs/dbraw/zinc/79/20/69/1015792069.db2.gz MMIZUXGIJKEDOK-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1cc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)ccn1 ZINC000339866197 1015792074 /nfs/dbraw/zinc/79/20/74/1015792074.db2.gz MMIZUXGIJKEDOK-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339876874 1015804105 /nfs/dbraw/zinc/80/41/05/1015804105.db2.gz CNOROAKYNHVOKY-GOSISDBHSA-N 1 2 331.375 3.571 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000460900954 1032128324 /nfs/dbraw/zinc/12/83/24/1032128324.db2.gz CHMBSTFQAGXBBR-GOSISDBHSA-N 1 2 328.460 3.681 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000154802102 1015810926 /nfs/dbraw/zinc/81/09/26/1015810926.db2.gz CFGWFSBHFIGJAN-UHFFFAOYSA-N 1 2 340.254 3.671 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](O)c2ccc(C)cc2)cs1 ZINC000075887879 1015824128 /nfs/dbraw/zinc/82/41/28/1015824128.db2.gz OZPREHGEYYSAPZ-YOEHRIQHSA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](O)c2ccc(C)cc2)cs1 ZINC000075887879 1015824135 /nfs/dbraw/zinc/82/41/35/1015824135.db2.gz OZPREHGEYYSAPZ-YOEHRIQHSA-N 1 2 334.485 3.714 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccn2)cc1 ZINC000459444061 1032129520 /nfs/dbraw/zinc/12/95/20/1032129520.db2.gz QROVEOVFNZRAMC-HXUWFJFHSA-N 1 2 346.434 3.642 20 0 EHADLO c1ccc([C@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccn2)cc1 ZINC000180037779 1015837263 /nfs/dbraw/zinc/83/72/63/1015837263.db2.gz YTRGEUWBXCRQQJ-QHCPKHFHSA-N 1 2 343.474 3.819 20 0 EHADLO c1ccc([C@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccn2)cc1 ZINC000180037779 1015837275 /nfs/dbraw/zinc/83/72/75/1015837275.db2.gz YTRGEUWBXCRQQJ-QHCPKHFHSA-N 1 2 343.474 3.819 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000547756808 1015868174 /nfs/dbraw/zinc/86/81/74/1015868174.db2.gz UIYOSOWIMROLOR-INIZCTEOSA-N 1 2 348.450 3.717 20 0 EHADLO CCOc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180197553 1015881186 /nfs/dbraw/zinc/88/11/86/1015881186.db2.gz XZSMPAMFNDZOLL-HXUWFJFHSA-N 1 2 339.414 3.837 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000180482138 1015957875 /nfs/dbraw/zinc/95/78/75/1015957875.db2.gz IVNYNRXUBGKLNP-AWEZNQCLSA-N 1 2 339.361 3.969 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c(F)c1 ZINC000547766091 1016029387 /nfs/dbraw/zinc/02/93/87/1016029387.db2.gz PNCLEKNRZHXIQU-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c(F)c1 ZINC000547766091 1016029398 /nfs/dbraw/zinc/02/93/98/1016029398.db2.gz PNCLEKNRZHXIQU-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001167106763 1016044758 /nfs/dbraw/zinc/04/47/58/1016044758.db2.gz IBQARDYGRWOAHN-HZPDHXFCSA-N 1 2 340.471 3.919 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC001167106763 1016044762 /nfs/dbraw/zinc/04/47/62/1016044762.db2.gz IBQARDYGRWOAHN-HZPDHXFCSA-N 1 2 340.471 3.919 20 0 EHADLO N#Cc1ccccc1C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000039227134 1016128779 /nfs/dbraw/zinc/12/87/79/1016128779.db2.gz KBYMMZMMPCKKEL-UHFFFAOYSA-N 1 2 332.403 3.558 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1 ZINC000275214363 1016156499 /nfs/dbraw/zinc/15/64/99/1016156499.db2.gz BBVVSGJPFJHNMM-AEFFLSMTSA-N 1 2 342.443 3.585 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3CCCCC3)n2)c1 ZINC000109581550 1016171400 /nfs/dbraw/zinc/17/14/00/1016171400.db2.gz NJWAFUOTFNPHLF-UHFFFAOYSA-N 1 2 327.428 3.617 20 0 EHADLO CCOc1ccc(-c2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2)cc1 ZINC001167125602 1016205432 /nfs/dbraw/zinc/20/54/32/1016205432.db2.gz QNKMXIRRTYJOQG-UHFFFAOYSA-N 1 2 349.438 3.580 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(Cl)nc3ccccc32)c[nH+]1 ZINC000397045440 1016230562 /nfs/dbraw/zinc/23/05/62/1016230562.db2.gz UWKAHDCRCXBJPP-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO CC(C)([NH2+]Cc1cc(-c2cccs2)on1)C(=O)NCC1CCCC1 ZINC000155174275 1016254975 /nfs/dbraw/zinc/25/49/75/1016254975.db2.gz JRHWHNNGZOMNCH-UHFFFAOYSA-N 1 2 347.484 3.578 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143377500 1016273534 /nfs/dbraw/zinc/27/35/34/1016273534.db2.gz XOIDAYSBTIXRPG-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143377500 1016273538 /nfs/dbraw/zinc/27/35/38/1016273538.db2.gz XOIDAYSBTIXRPG-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Oc1ccc2nccnc2c1)c1ccccc1 ZINC000089864796 1016281351 /nfs/dbraw/zinc/28/13/51/1016281351.db2.gz HTBQEOYXINWKOC-IBGZPJMESA-N 1 2 335.407 3.618 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375252 999414831 /nfs/dbraw/zinc/41/48/31/999414831.db2.gz YNNSZWWWIKWXET-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375252 999414838 /nfs/dbraw/zinc/41/48/38/999414838.db2.gz YNNSZWWWIKWXET-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375252 999414842 /nfs/dbraw/zinc/41/48/42/999414842.db2.gz YNNSZWWWIKWXET-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594375252 999414846 /nfs/dbraw/zinc/41/48/46/999414846.db2.gz YNNSZWWWIKWXET-CVEARBPZSA-N 1 2 348.462 3.610 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)co1 ZINC000528363667 1032146212 /nfs/dbraw/zinc/14/62/12/1032146212.db2.gz LECNKBCSVKYEIA-MRXNPFEDSA-N 1 2 325.474 3.618 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)co1 ZINC000528363667 1032146218 /nfs/dbraw/zinc/14/62/18/1032146218.db2.gz LECNKBCSVKYEIA-MRXNPFEDSA-N 1 2 325.474 3.618 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3)n2)C1 ZINC000340103686 1016321806 /nfs/dbraw/zinc/32/18/06/1016321806.db2.gz BKHMHKOMNVVOSC-CQSZACIVSA-N 1 2 329.469 3.556 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3)n2)C1 ZINC000340103686 1016321817 /nfs/dbraw/zinc/32/18/17/1016321817.db2.gz BKHMHKOMNVVOSC-CQSZACIVSA-N 1 2 329.469 3.556 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)o1 ZINC000022290823 1016326245 /nfs/dbraw/zinc/32/62/45/1016326245.db2.gz LRONZXIIMHFVQP-UHFFFAOYSA-N 1 2 325.821 3.628 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1cc(C(F)(F)F)ccc1F ZINC000510171522 1016327011 /nfs/dbraw/zinc/32/70/11/1016327011.db2.gz ZZBUJJDNLBJQKC-UHFFFAOYSA-N 1 2 334.357 3.583 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C(F)(F)F)ccc1F ZINC000510171522 1016327020 /nfs/dbraw/zinc/32/70/20/1016327020.db2.gz ZZBUJJDNLBJQKC-UHFFFAOYSA-N 1 2 334.357 3.583 20 0 EHADLO Cc1cc(Br)cn2cc(CCNc3cccc(F)n3)[nH+]c12 ZINC000754087402 1016364703 /nfs/dbraw/zinc/36/47/03/1016364703.db2.gz JENPERKWCHTAMX-UHFFFAOYSA-N 1 2 349.207 3.594 20 0 EHADLO Cc1cc(Cl)c(C)c(N2CCO[C@H](COc3ccccc3)C2)[nH+]1 ZINC001167155298 1016371812 /nfs/dbraw/zinc/37/18/12/1016371812.db2.gz LUXIVQXLXOPNRJ-INIZCTEOSA-N 1 2 332.831 3.636 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000932519455 1016381536 /nfs/dbraw/zinc/38/15/36/1016381536.db2.gz AGTJHFPVQHYTQU-CYBMUJFWSA-N 1 2 342.281 3.581 20 0 EHADLO COC(C)(C)CC[N@H+]1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000932519455 1016381547 /nfs/dbraw/zinc/38/15/47/1016381547.db2.gz AGTJHFPVQHYTQU-CYBMUJFWSA-N 1 2 342.281 3.581 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000115561274 1016383171 /nfs/dbraw/zinc/38/31/71/1016383171.db2.gz DILAFCOYCVHWMB-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000115561274 1016383183 /nfs/dbraw/zinc/38/31/83/1016383183.db2.gz DILAFCOYCVHWMB-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000340132669 1016389170 /nfs/dbraw/zinc/38/91/70/1016389170.db2.gz ZKVAEHIMILRPMF-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](CCO)c1ccccc1 ZINC000155279180 1016408732 /nfs/dbraw/zinc/40/87/32/1016408732.db2.gz ZEDLHNOEJIHXJI-KRWDZBQOSA-N 1 2 339.464 3.761 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](CCO)c1ccccc1 ZINC000155279180 1016408747 /nfs/dbraw/zinc/40/87/47/1016408747.db2.gz ZEDLHNOEJIHXJI-KRWDZBQOSA-N 1 2 339.464 3.761 20 0 EHADLO CSCc1cc[nH+]c(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001167176098 1016478697 /nfs/dbraw/zinc/47/86/97/1016478697.db2.gz SXAPKBYHCIJZQW-GASCZTMLSA-N 1 2 348.475 3.979 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000652000360 1016501863 /nfs/dbraw/zinc/50/18/63/1016501863.db2.gz HGNVWBCFIWSXGG-HNNXBMFYSA-N 1 2 327.428 3.658 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000430375611 1016536260 /nfs/dbraw/zinc/53/62/60/1016536260.db2.gz YMGFXDRJTTUFOA-ZIAGYGMSSA-N 1 2 348.516 3.805 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000430375611 1016536277 /nfs/dbraw/zinc/53/62/77/1016536277.db2.gz YMGFXDRJTTUFOA-ZIAGYGMSSA-N 1 2 348.516 3.805 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc[nH]2)cc1 ZINC000340167413 1016562336 /nfs/dbraw/zinc/56/23/36/1016562336.db2.gz KYIKZIAIESZOBY-INIZCTEOSA-N 1 2 330.794 3.519 20 0 EHADLO CC(C)c1cccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000275369961 1016591093 /nfs/dbraw/zinc/59/10/93/1016591093.db2.gz XVCLEZXNTRVIKD-FUHWJXTLSA-N 1 2 342.443 3.585 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1c1ccccc1 ZINC000430392645 1016614526 /nfs/dbraw/zinc/61/45/26/1016614526.db2.gz JMTAUOCESVBCGP-BKTGTZMESA-N 1 2 335.382 4.000 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)on1 ZINC000932567719 1016632558 /nfs/dbraw/zinc/63/25/58/1016632558.db2.gz SZCKYVMBGDPQSA-ZETCQYMHSA-N 1 2 347.173 3.758 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1c1ccccc1 ZINC000430396779 1016656157 /nfs/dbraw/zinc/65/61/57/1016656157.db2.gz UKLKIOHFYWPBNE-ORYQWCPZSA-N 1 2 349.478 3.738 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000340197080 1016677957 /nfs/dbraw/zinc/67/79/57/1016677957.db2.gz JWVHEBIUNDEPCP-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000362341401 1016717456 /nfs/dbraw/zinc/71/74/56/1016717456.db2.gz HAWKMCWHFONMHM-UHFFFAOYSA-N 1 2 329.469 3.693 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2nnc[nH]2)cc1 ZINC000340237447 1016757652 /nfs/dbraw/zinc/75/76/52/1016757652.db2.gz PHWZLFNQRJIGPP-IBGZPJMESA-N 1 2 349.413 3.737 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000340250145 1016784385 /nfs/dbraw/zinc/78/43/85/1016784385.db2.gz HWDCOHPXQNCFJY-APPDUMDISA-N 1 2 346.356 3.705 20 0 EHADLO Cc1cc(F)ccc1-c1noc([C@@H]([NH3+])[C@@H](C)OCc2ccccc2)n1 ZINC000706014179 1016838324 /nfs/dbraw/zinc/83/83/24/1016838324.db2.gz CQQLCMWFUDFQNU-DYVFJYSZSA-N 1 2 341.386 3.789 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cn1 ZINC000890795556 1016889645 /nfs/dbraw/zinc/88/96/45/1016889645.db2.gz XABGUMJBYXUIEC-UHFFFAOYSA-N 1 2 348.450 3.805 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc(O)c1 ZINC000181492203 1016925074 /nfs/dbraw/zinc/92/50/74/1016925074.db2.gz NWWPOUQPLGVWNG-VIFPVBQESA-N 1 2 349.312 3.710 20 0 EHADLO Cc1cc2c(ncnc2N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000782978977 1016937198 /nfs/dbraw/zinc/93/71/98/1016937198.db2.gz MANLWFSAYMBVHA-UHFFFAOYSA-N 1 2 341.484 3.893 20 0 EHADLO Cc1ccc([C@H](CC(F)(F)F)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001267612889 1017033535 /nfs/dbraw/zinc/03/35/35/1017033535.db2.gz BDBHMQSELLFSAY-HIFRSBDPSA-N 1 2 339.361 3.953 20 0 EHADLO CCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153907612 1032169466 /nfs/dbraw/zinc/16/94/66/1032169466.db2.gz MWTHULVTLBKYSJ-ZWKOTPCHSA-N 1 2 338.455 3.601 20 0 EHADLO OCCCC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000584353869 1032175429 /nfs/dbraw/zinc/17/54/29/1032175429.db2.gz SHVAAIFGAIUNRP-UHFFFAOYSA-N 1 2 348.231 3.712 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3noc(C4CCOCC4)n3)C2)c1 ZINC000183491497 1032175971 /nfs/dbraw/zinc/17/59/71/1032175971.db2.gz UHOMYJGXJKGXHX-KRWDZBQOSA-N 1 2 341.455 3.570 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)c1 ZINC000183491497 1032175981 /nfs/dbraw/zinc/17/59/81/1032175981.db2.gz UHOMYJGXJKGXHX-KRWDZBQOSA-N 1 2 341.455 3.570 20 0 EHADLO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000183548708 1032177180 /nfs/dbraw/zinc/17/71/80/1032177180.db2.gz BTMFBJFJKMVQMN-UHFFFAOYSA-N 1 2 335.411 3.544 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(O)ccc1C(F)(F)F ZINC000188658892 1017234725 /nfs/dbraw/zinc/23/47/25/1017234725.db2.gz JJWHQPQLXSMDTH-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO CCC[C@H](CC(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000449108372 1032188589 /nfs/dbraw/zinc/18/85/89/1032188589.db2.gz UNBQMXRRYTYMHM-GOSISDBHSA-N 1 2 346.515 3.597 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000066695625 1032188647 /nfs/dbraw/zinc/18/86/47/1032188647.db2.gz SGXKHLJHWXTXQD-UHFFFAOYSA-N 1 2 348.830 3.770 20 0 EHADLO Cc1cc(C)c(Br)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000461025620 1032201172 /nfs/dbraw/zinc/20/11/72/1032201172.db2.gz WHLCYPURALHLSS-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080923195 1032207822 /nfs/dbraw/zinc/20/78/22/1032207822.db2.gz YORZKQOFNKZAOB-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923195 1032207839 /nfs/dbraw/zinc/20/78/39/1032207839.db2.gz YORZKQOFNKZAOB-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2ccccc2F)n(C)c1=S)C1(C)CC1 ZINC000176829504 1032226094 /nfs/dbraw/zinc/22/60/94/1032226094.db2.gz RDRJUQLUIXMHHP-LBPRGKRZSA-N 1 2 334.464 3.835 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccccc2F)n(C)c1=S)C1(C)CC1 ZINC000176829504 1032226109 /nfs/dbraw/zinc/22/61/09/1032226109.db2.gz RDRJUQLUIXMHHP-LBPRGKRZSA-N 1 2 334.464 3.835 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nc(C3CCCCC3)no2)[C@@H]1SC ZINC000459524533 1032243512 /nfs/dbraw/zinc/24/35/12/1032243512.db2.gz NQZOELNJWYHIEE-BEAPCOKYSA-N 1 2 339.505 3.677 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nnc(C3CC3)s2)c2ccccc2)CCCC1 ZINC000459548084 1032266653 /nfs/dbraw/zinc/26/66/53/1032266653.db2.gz UGORQZWKANDMQC-KRWDZBQOSA-N 1 2 343.496 3.799 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000729033729 1032270913 /nfs/dbraw/zinc/27/09/13/1032270913.db2.gz ZIWQXEQPOYFFDD-ZFWWWQNUSA-N 1 2 343.298 3.568 20 0 EHADLO CN(C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)c1nccs1 ZINC000459584515 1032285548 /nfs/dbraw/zinc/28/55/48/1032285548.db2.gz ULFOCTCSOGBORH-QGZVFWFLSA-N 1 2 341.480 3.723 20 0 EHADLO CN(C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)c1nccs1 ZINC000459584515 1032285559 /nfs/dbraw/zinc/28/55/59/1032285559.db2.gz ULFOCTCSOGBORH-QGZVFWFLSA-N 1 2 341.480 3.723 20 0 EHADLO CSc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184366035 1032287561 /nfs/dbraw/zinc/28/75/61/1032287561.db2.gz BGPSKCJQYLNRTP-AWEZNQCLSA-N 1 2 346.521 3.989 20 0 EHADLO C[C@H]([NH2+]Cc1ncccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000528436929 1032295934 /nfs/dbraw/zinc/29/59/34/1032295934.db2.gz KJSKYWBPQZJYIR-ZDUSSCGKSA-N 1 2 329.831 3.713 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccc(F)cc2)cn1 ZINC000184585185 1032300131 /nfs/dbraw/zinc/30/01/31/1032300131.db2.gz VBHSMMIHQLVEHU-SFHVURJKSA-N 1 2 331.341 3.717 20 0 EHADLO CC(C)Sc1cc(Br)ccc1C[NH+]1CC(CCO)C1 ZINC000459599346 1032317777 /nfs/dbraw/zinc/31/77/77/1032317777.db2.gz YDBWYAHSUYTDQU-UHFFFAOYSA-N 1 2 344.318 3.764 20 0 EHADLO c1cc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)sn1 ZINC000905017528 1032318822 /nfs/dbraw/zinc/31/88/22/1032318822.db2.gz GRSIKWCVDVOBNE-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO c1cc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)sn1 ZINC000905017528 1032318837 /nfs/dbraw/zinc/31/88/37/1032318837.db2.gz GRSIKWCVDVOBNE-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184895154 1032330181 /nfs/dbraw/zinc/33/01/81/1032330181.db2.gz VSZMPEYHZZROBE-AWEZNQCLSA-N 1 2 335.407 3.552 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1cccc(Br)c1F ZINC000449221083 1032337693 /nfs/dbraw/zinc/33/76/93/1032337693.db2.gz FSCCUHTXOMSUQX-UHFFFAOYSA-N 1 2 340.240 3.731 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C1CC1 ZINC000081649224 1032341823 /nfs/dbraw/zinc/34/18/23/1032341823.db2.gz RNSVGTKNKJMGRX-UHFFFAOYSA-N 1 2 343.496 3.925 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C1CC1 ZINC000081649224 1032341834 /nfs/dbraw/zinc/34/18/34/1032341834.db2.gz RNSVGTKNKJMGRX-UHFFFAOYSA-N 1 2 343.496 3.925 20 0 EHADLO C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1nc2c(s1)CCC2 ZINC000459655209 1032379933 /nfs/dbraw/zinc/37/99/33/1032379933.db2.gz UOMPUTXPXJDRCE-GWCFXTLKSA-N 1 2 335.498 3.791 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c2ccccc21 ZINC000343781745 1032414563 /nfs/dbraw/zinc/41/45/63/1032414563.db2.gz BHKRLKBKKOYWOS-KUHUBIRLSA-N 1 2 336.414 3.804 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccccc2OC2CCCC2)[nH]1 ZINC000459702095 1032424808 /nfs/dbraw/zinc/42/48/08/1032424808.db2.gz KTDITWFMOJMLIB-UHFFFAOYSA-N 1 2 328.460 3.713 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)cc(OC)c1O ZINC000459709160 1032440636 /nfs/dbraw/zinc/44/06/36/1032440636.db2.gz OZJSKCTVOODRNS-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1cc(C[N@H+]2CCc3cccc(Cl)c3C2)cc(OC)c1O ZINC000459709160 1032440641 /nfs/dbraw/zinc/44/06/41/1032440641.db2.gz OZJSKCTVOODRNS-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2c1 ZINC000084581261 1032442725 /nfs/dbraw/zinc/44/27/25/1032442725.db2.gz DYWXTLNMTNPICN-INIZCTEOSA-N 1 2 347.462 3.835 20 0 EHADLO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccncc1F ZINC000449316891 1032449669 /nfs/dbraw/zinc/44/96/69/1032449669.db2.gz QYICJSAXBFADRB-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccncc1F ZINC000449316891 1032449672 /nfs/dbraw/zinc/44/96/72/1032449672.db2.gz QYICJSAXBFADRB-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)cn2)cc1 ZINC000449336779 1032471334 /nfs/dbraw/zinc/47/13/34/1032471334.db2.gz PBOJSMBXJRSMEF-FQEVSTJZSA-N 1 2 348.450 3.859 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CC(C)(C)[C@@H]3c3cccnc3)cn2)cc1 ZINC000449336779 1032471338 /nfs/dbraw/zinc/47/13/38/1032471338.db2.gz PBOJSMBXJRSMEF-FQEVSTJZSA-N 1 2 348.450 3.859 20 0 EHADLO COCc1nc(C[NH2+]Cc2cc3ccccc3c(OC)c2)cs1 ZINC000449336429 1032472755 /nfs/dbraw/zinc/47/27/55/1032472755.db2.gz NIZRHGGJSCFTPN-UHFFFAOYSA-N 1 2 328.437 3.741 20 0 EHADLO CC(C)(C)Nc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000343788954 1032480821 /nfs/dbraw/zinc/48/08/21/1032480821.db2.gz BGEJTCZAZLLMFZ-UHFFFAOYSA-N 1 2 335.411 3.730 20 0 EHADLO FCC(CF)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000449374114 1032488704 /nfs/dbraw/zinc/48/87/04/1032488704.db2.gz WUPIQYMDYGEOST-UHFFFAOYSA-N 1 2 341.405 3.996 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1c(F)cccc1F ZINC000537026544 1032489415 /nfs/dbraw/zinc/48/94/15/1032489415.db2.gz KKVGWACRVMJFHE-STQMWFEESA-N 1 2 330.378 3.593 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000188251356 1017098477 /nfs/dbraw/zinc/09/84/77/1017098477.db2.gz CIAZVZFLTSBTGR-UHFFFAOYSA-N 1 2 325.343 3.533 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccc(C)c(F)c3)[nH+]c12 ZINC000088235578 1032496549 /nfs/dbraw/zinc/49/65/49/1032496549.db2.gz PYYOBQAFHYDJOS-CQSZACIVSA-N 1 2 325.387 3.510 20 0 EHADLO COc1nccc(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)n1 ZINC000449379875 1032506930 /nfs/dbraw/zinc/50/69/30/1032506930.db2.gz VARHQYWOYCPYGW-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000528658817 1032545525 /nfs/dbraw/zinc/54/55/25/1032545525.db2.gz NQJYEUGHFBLAII-PMACEKPBSA-N 1 2 335.451 3.532 20 0 EHADLO Cc1cc(CNc2cccc(C[S@@](C)=O)c2)c2c([nH+]1)CCCC2 ZINC000892382087 1032555103 /nfs/dbraw/zinc/55/51/03/1032555103.db2.gz TZZBSICPNUNDBM-HSZRJFAPSA-N 1 2 328.481 3.759 20 0 EHADLO CCc1n[nH]c(=O)c(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1CC ZINC000090112122 1032574113 /nfs/dbraw/zinc/57/41/13/1032574113.db2.gz LDJUKKYGOZKTTL-UHFFFAOYSA-N 1 2 343.475 3.544 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)c2cnccn2)c2ccccc2OC)cc1 ZINC000090772214 1032595073 /nfs/dbraw/zinc/59/50/73/1032595073.db2.gz LUCRFIDEXCMCNV-QVKFZJNVSA-N 1 2 349.434 3.934 20 0 EHADLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000592998561 1032632770 /nfs/dbraw/zinc/63/27/70/1032632770.db2.gz BQPHAOWBFCOWCV-LLVKDONJSA-N 1 2 349.456 3.582 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000606365858 1032653233 /nfs/dbraw/zinc/65/32/33/1032653233.db2.gz YIKVNPTWCOGPIK-MJGOQNOKSA-N 1 2 325.456 3.939 20 0 EHADLO OC[C@H]1C=C[C@H]([N@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349091 1032655428 /nfs/dbraw/zinc/65/54/28/1032655428.db2.gz VDGFZBWCKQOCJZ-ZFWWWQNUSA-N 1 2 334.872 3.736 20 0 EHADLO OC[C@H]1C=C[C@H]([N@@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349091 1032655450 /nfs/dbraw/zinc/65/54/50/1032655450.db2.gz VDGFZBWCKQOCJZ-ZFWWWQNUSA-N 1 2 334.872 3.736 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602115655 1032658792 /nfs/dbraw/zinc/65/87/92/1032658792.db2.gz JQNCXBQRYPAPQJ-XQQFMLRXSA-N 1 2 349.422 3.557 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000606431371 1032678390 /nfs/dbraw/zinc/67/83/90/1032678390.db2.gz IFGLKCCIUMNISG-GOSISDBHSA-N 1 2 333.451 3.500 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc2c(c1)CCC2 ZINC000145090191 1017071830 /nfs/dbraw/zinc/07/18/30/1017071830.db2.gz FAGFJBGMQODANI-KRWDZBQOSA-N 1 2 342.512 3.773 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000188734186 1017261520 /nfs/dbraw/zinc/26/15/20/1017261520.db2.gz KHSFWPBPRPMREL-LBPRGKRZSA-N 1 2 340.452 3.652 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000188734186 1017261524 /nfs/dbraw/zinc/26/15/24/1017261524.db2.gz KHSFWPBPRPMREL-LBPRGKRZSA-N 1 2 340.452 3.652 20 0 EHADLO O[C@H](C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1)C(F)(F)F ZINC000547928059 1017381087 /nfs/dbraw/zinc/38/10/87/1017381087.db2.gz VIOQIHUSGKPZSY-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccc(F)cc1 ZINC000606449503 1032694100 /nfs/dbraw/zinc/69/41/00/1032694100.db2.gz XVNCKVHDJIFUNP-KBPBESRZSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccc(F)cc1 ZINC000606449503 1032694110 /nfs/dbraw/zinc/69/41/10/1032694110.db2.gz XVNCKVHDJIFUNP-KBPBESRZSA-N 1 2 344.405 3.761 20 0 EHADLO COCc1cc[nH+]c(NCc2cc(OC)c(OC)cc2SC)c1 ZINC000650243567 1017451064 /nfs/dbraw/zinc/45/10/64/1017451064.db2.gz FRGDCMWZACVOHP-UHFFFAOYSA-N 1 2 334.441 3.579 20 0 EHADLO COc1cc(C)[nH+]c(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000549170037 1017471467 /nfs/dbraw/zinc/47/14/67/1017471467.db2.gz FXDBMZCBBMLYKC-OAHLLOKOSA-N 1 2 328.378 3.953 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340410279 1017495384 /nfs/dbraw/zinc/49/53/84/1017495384.db2.gz WHGUGCCRTQLNLP-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000377244134 1017520983 /nfs/dbraw/zinc/52/09/83/1017520983.db2.gz WLHHIBRMWXNRRH-SNVBAGLBSA-N 1 2 339.226 3.748 20 0 EHADLO Cc1ccc(Br)c(C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000655781236 1017589069 /nfs/dbraw/zinc/58/90/69/1017589069.db2.gz DRDZSPTXFVTROE-UHFFFAOYSA-N 1 2 334.261 3.580 20 0 EHADLO Brc1ccc2oc(N3CCC(c4c[nH]c[nH+]4)CC3)nc2c1 ZINC000892857036 1017598345 /nfs/dbraw/zinc/59/83/45/1017598345.db2.gz ZUTKGKAAMXQRCI-UHFFFAOYSA-N 1 2 347.216 3.697 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000247241218 1017627414 /nfs/dbraw/zinc/62/74/14/1017627414.db2.gz XZDDEEADAFNIIP-RHSMWYFYSA-N 1 2 342.512 3.912 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000247241218 1017627423 /nfs/dbraw/zinc/62/74/23/1017627423.db2.gz XZDDEEADAFNIIP-RHSMWYFYSA-N 1 2 342.512 3.912 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2nc3ccccc3o2)cc1C ZINC000091626664 1032713122 /nfs/dbraw/zinc/71/31/22/1032713122.db2.gz XCTLQFPQBPCUTC-LBPRGKRZSA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2nc3ccccc3o2)cc1C ZINC000091626664 1032713135 /nfs/dbraw/zinc/71/31/35/1032713135.db2.gz XCTLQFPQBPCUTC-LBPRGKRZSA-N 1 2 328.368 3.709 20 0 EHADLO CC(=Cc1ccc(Cl)cc1)C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655818623 1017683241 /nfs/dbraw/zinc/68/32/41/1017683241.db2.gz MLYFXNLMSLJDCD-HMVFGEFZSA-N 1 2 332.835 3.503 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000349239763 1017718890 /nfs/dbraw/zinc/71/88/90/1017718890.db2.gz IOMXIXAPOYFTKJ-ZDUSSCGKSA-N 1 2 338.860 3.969 20 0 EHADLO COCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)o1 ZINC000892917908 1017724265 /nfs/dbraw/zinc/72/42/65/1017724265.db2.gz CTTUGONTXNIYDR-FQEVSTJZSA-N 1 2 338.407 3.579 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000340439379 1017809488 /nfs/dbraw/zinc/80/94/88/1017809488.db2.gz KKFWAMGDDMUMKA-LJQANCHMSA-N 1 2 325.387 3.959 20 0 EHADLO CCc1cccc(CC)c1NC(=O)NCCCNc1cccc[nH+]1 ZINC000046945100 1017841329 /nfs/dbraw/zinc/84/13/29/1017841329.db2.gz HLMBERDSNYYLIX-UHFFFAOYSA-N 1 2 326.444 3.830 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000579975375 1017930906 /nfs/dbraw/zinc/93/09/06/1017930906.db2.gz QLFXKASTWDSXIS-INIZCTEOSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000579975375 1017930920 /nfs/dbraw/zinc/93/09/20/1017930920.db2.gz QLFXKASTWDSXIS-INIZCTEOSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)[C@H]1c1cccc(F)c1 ZINC000377547243 1017971879 /nfs/dbraw/zinc/97/18/79/1017971879.db2.gz BTQWWCOUFQWKIV-SJKOYZFVSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)[C@H]1c1cccc(F)c1 ZINC000377547243 1017971894 /nfs/dbraw/zinc/97/18/94/1017971894.db2.gz BTQWWCOUFQWKIV-SJKOYZFVSA-N 1 2 348.443 3.911 20 0 EHADLO Fc1cc(F)c(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)c(F)c1 ZINC000340485060 1018058026 /nfs/dbraw/zinc/05/80/26/1018058026.db2.gz CZCMARJVPHVQAC-LJQANCHMSA-N 1 2 343.352 3.968 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000472822334 1018117062 /nfs/dbraw/zinc/11/70/62/1018117062.db2.gz GOQUALRDVCJQJF-KRWDZBQOSA-N 1 2 333.453 3.599 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000472822334 1018117070 /nfs/dbraw/zinc/11/70/70/1018117070.db2.gz GOQUALRDVCJQJF-KRWDZBQOSA-N 1 2 333.453 3.599 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000683726909 1018203790 /nfs/dbraw/zinc/20/37/90/1018203790.db2.gz OILRGQYXRDCVEQ-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC(Oc3ncccc3C)CC2)n1 ZINC000377722598 1018262688 /nfs/dbraw/zinc/26/26/88/1018262688.db2.gz MERZNMWECGTBLY-HNNXBMFYSA-N 1 2 344.459 3.720 20 0 EHADLO CCCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000092016188 1032754505 /nfs/dbraw/zinc/75/45/05/1032754505.db2.gz OOZFHPDOBDCYHD-INIZCTEOSA-N 1 2 345.468 3.535 20 0 EHADLO CCCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000092016188 1032754514 /nfs/dbraw/zinc/75/45/14/1032754514.db2.gz OOZFHPDOBDCYHD-INIZCTEOSA-N 1 2 345.468 3.535 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651058916 1018362854 /nfs/dbraw/zinc/36/28/54/1018362854.db2.gz LJEFEPQCVBVMMT-UHFFFAOYSA-N 1 2 325.456 3.509 20 0 EHADLO Clc1cnccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763888 1032765247 /nfs/dbraw/zinc/76/52/47/1032765247.db2.gz YOHJFEKBOBYHHK-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO O=C(NCCc1cccc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000606583395 1032766020 /nfs/dbraw/zinc/76/60/20/1032766020.db2.gz ZSIKFMSRDDVVTI-UHFFFAOYSA-N 1 2 330.391 3.852 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CC(C)(C)C2)CC1 ZINC000548046238 1018502236 /nfs/dbraw/zinc/50/22/36/1018502236.db2.gz OTQNDGQHCBBGCB-AWEZNQCLSA-N 1 2 335.517 3.573 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CS2 ZINC000683778272 1018513486 /nfs/dbraw/zinc/51/34/86/1018513486.db2.gz MDISMSMMFKFCRK-SNVBAGLBSA-N 1 2 327.272 3.842 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000377888753 1018520308 /nfs/dbraw/zinc/52/03/08/1018520308.db2.gz RYPZYCZVGBLEAX-CYBMUJFWSA-N 1 2 349.525 3.565 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000606617991 1032772338 /nfs/dbraw/zinc/77/23/38/1032772338.db2.gz VYKQEUGSWVXVQV-SCTDSRPQSA-N 1 2 340.471 3.763 20 0 EHADLO CCO[C@H]1C[C@H](Nc2cc[nH+]c3c(OC)cccc23)C12CCOCC2 ZINC000275769042 1018585687 /nfs/dbraw/zinc/58/56/87/1018585687.db2.gz GVAZAZRXXFSCSD-ROUUACIJSA-N 1 2 342.439 3.630 20 0 EHADLO CCOc1cccc(Cl)c1C[NH2+][C@H](CO)c1ccccc1OC ZINC000580091238 1018628167 /nfs/dbraw/zinc/62/81/67/1018628167.db2.gz UGWFTNMBISMBIY-MRXNPFEDSA-N 1 2 335.831 3.571 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000606617990 1032773593 /nfs/dbraw/zinc/77/35/93/1032773593.db2.gz VYKQEUGSWVXVQV-LNLFQRSKSA-N 1 2 340.471 3.763 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000580148915 1018709608 /nfs/dbraw/zinc/70/96/08/1018709608.db2.gz LNURRPOTZDVWBA-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO C[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C[C@H]1CCCO1 ZINC000052101890 1018758879 /nfs/dbraw/zinc/75/88/79/1018758879.db2.gz OHVHAOYHYOWBSB-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO C[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C[C@H]1CCCO1 ZINC000052101890 1018758890 /nfs/dbraw/zinc/75/88/90/1018758890.db2.gz OHVHAOYHYOWBSB-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](Cc3ccccn3)C(C)C)o2)cc1 ZINC000052218192 1018765708 /nfs/dbraw/zinc/76/57/08/1018765708.db2.gz AUQARXXIBWMCCW-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](Cc3ccccn3)C(C)C)o2)cc1 ZINC000052218192 1018765723 /nfs/dbraw/zinc/76/57/23/1018765723.db2.gz AUQARXXIBWMCCW-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO Nc1[nH+]cccc1Cn1c2cc(Cl)ccc2c(=O)c2c1CCCC2 ZINC000664097885 1018769129 /nfs/dbraw/zinc/76/91/29/1018769129.db2.gz HFLAARURSIWICW-UHFFFAOYSA-N 1 2 339.826 3.559 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1ccn(-c2ccccc2)n1 ZINC000052187458 1018857233 /nfs/dbraw/zinc/85/72/33/1018857233.db2.gz VSPDQDYSPYFCNT-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1ccn(-c2ccccc2)n1 ZINC000052187458 1018857250 /nfs/dbraw/zinc/85/72/50/1018857250.db2.gz VSPDQDYSPYFCNT-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccsc1 ZINC000122573027 1018925538 /nfs/dbraw/zinc/92/55/38/1018925538.db2.gz OMDZWBNNZGJOJJ-HNNXBMFYSA-N 1 2 334.510 3.777 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000122573027 1018925546 /nfs/dbraw/zinc/92/55/46/1018925546.db2.gz OMDZWBNNZGJOJJ-HNNXBMFYSA-N 1 2 334.510 3.777 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000047798097 1018989861 /nfs/dbraw/zinc/98/98/61/1018989861.db2.gz VWZJDWRNOCVWKA-MNOVXSKESA-N 1 2 341.242 3.639 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000047798099 1018990239 /nfs/dbraw/zinc/99/02/39/1018990239.db2.gz VWZJDWRNOCVWKA-GHMZBOCLSA-N 1 2 341.242 3.639 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340643108 1019058578 /nfs/dbraw/zinc/05/85/78/1019058578.db2.gz UGUZPGDPXAYUJF-NUEKZKHPSA-N 1 2 329.831 3.573 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC[C@H]1c1ccco1)C2 ZINC000476069095 1032805473 /nfs/dbraw/zinc/80/54/73/1032805473.db2.gz CQNQQAPITWAJHJ-YOEHRIQHSA-N 1 2 341.455 3.985 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC[C@H]1c1ccco1)CC2 ZINC000476069095 1032805491 /nfs/dbraw/zinc/80/54/91/1032805491.db2.gz CQNQQAPITWAJHJ-YOEHRIQHSA-N 1 2 341.455 3.985 20 0 EHADLO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181254 1019081545 /nfs/dbraw/zinc/08/15/45/1019081545.db2.gz KXPJNLMTUSTWCW-RISCZKNCSA-N 1 2 333.819 3.752 20 0 EHADLO CC[C@@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000728982598 1019142585 /nfs/dbraw/zinc/14/25/85/1019142585.db2.gz IPUAGEZMOCHPIJ-FUHWJXTLSA-N 1 2 327.472 3.998 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000729048233 1019167391 /nfs/dbraw/zinc/16/73/91/1019167391.db2.gz DBCDWSXKYYKMNF-QZTJIDSGSA-N 1 2 340.471 3.886 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606692348 1032812975 /nfs/dbraw/zinc/81/29/75/1032812975.db2.gz QHPDQWJXQJXITI-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO Cc1nc(N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c(C)c(C)[nH+]1 ZINC000656197710 1019206602 /nfs/dbraw/zinc/20/66/02/1019206602.db2.gz ANTBMKLXFJPPIT-UHFFFAOYSA-N 1 2 348.454 3.571 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C)[nH+]1 ZINC000408467614 1019230027 /nfs/dbraw/zinc/23/00/27/1019230027.db2.gz OSBNSBCOZSRFRV-BUXKBTBVSA-N 1 2 333.476 3.706 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155730039 1019243250 /nfs/dbraw/zinc/24/32/50/1019243250.db2.gz BKUAQRSKBBTMET-OAHLLOKOSA-N 1 2 339.468 3.882 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155730039 1019243257 /nfs/dbraw/zinc/24/32/57/1019243257.db2.gz BKUAQRSKBBTMET-OAHLLOKOSA-N 1 2 339.468 3.882 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000729251912 1019249878 /nfs/dbraw/zinc/24/98/78/1019249878.db2.gz ZPGNAIVEZZHFOP-MQNTZWLQSA-N 1 2 338.426 3.744 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000052803119 1019272849 /nfs/dbraw/zinc/27/28/49/1019272849.db2.gz KYOMCAXAAJGEEK-INIZCTEOSA-N 1 2 346.452 3.541 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000052803119 1019272860 /nfs/dbraw/zinc/27/28/60/1019272860.db2.gz KYOMCAXAAJGEEK-INIZCTEOSA-N 1 2 346.452 3.541 20 0 EHADLO Brc1csc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)n1 ZINC001137779317 1032821190 /nfs/dbraw/zinc/82/11/90/1032821190.db2.gz GOZHLMPTCMSZEB-GFCCVEGCSA-N 1 2 338.274 3.508 20 0 EHADLO Brc1csc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)n1 ZINC001137779317 1032821206 /nfs/dbraw/zinc/82/12/06/1032821206.db2.gz GOZHLMPTCMSZEB-GFCCVEGCSA-N 1 2 338.274 3.508 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCC1 ZINC000666868152 1032825675 /nfs/dbraw/zinc/82/56/75/1032825675.db2.gz INEBFHRWRMNVSB-KRWDZBQOSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1noc2ncc(C[NH2+][C@@H](COCC(C)C)c3ccco3)cc12 ZINC000894212034 1019345807 /nfs/dbraw/zinc/34/58/07/1019345807.db2.gz WXLKAYZMEUSKMY-INIZCTEOSA-N 1 2 329.400 3.628 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000580447625 1019381216 /nfs/dbraw/zinc/38/12/16/1019381216.db2.gz NBPMBCBZALJLLD-BDJLRTHQSA-N 1 2 337.826 3.894 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000580447625 1019381232 /nfs/dbraw/zinc/38/12/32/1019381232.db2.gz NBPMBCBZALJLLD-BDJLRTHQSA-N 1 2 337.826 3.894 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)c2nccn21 ZINC000449572828 1032828283 /nfs/dbraw/zinc/82/82/83/1032828283.db2.gz OFKAJOFGLHABHP-CZUORRHYSA-N 1 2 330.863 3.932 20 0 EHADLO CC[N@H+](Cc1ccncc1)Cc1cc(OC)ccc1Br ZINC000087798073 1019545849 /nfs/dbraw/zinc/54/58/49/1019545849.db2.gz NJUVUMNKSICLMB-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccncc1)Cc1cc(OC)ccc1Br ZINC000087798073 1019545859 /nfs/dbraw/zinc/54/58/59/1019545859.db2.gz NJUVUMNKSICLMB-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO Cc1ccc(N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000262372618 1019607309 /nfs/dbraw/zinc/60/73/09/1019607309.db2.gz MHDOOLBCYWLXDD-LBPRGKRZSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1ccc(N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000262372618 1019607313 /nfs/dbraw/zinc/60/73/13/1019607313.db2.gz MHDOOLBCYWLXDD-LBPRGKRZSA-N 1 2 344.484 3.518 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(Cc3sccc3C)CC2)c1 ZINC000513396560 1019607475 /nfs/dbraw/zinc/60/74/75/1019607475.db2.gz DXMNCYWEGPZTFD-INIZCTEOSA-N 1 2 330.497 3.944 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513415536 1019646145 /nfs/dbraw/zinc/64/61/45/1019646145.db2.gz JZJYPGYIKHCYEO-BSDSXHPESA-N 1 2 329.488 3.581 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160560172 1019695839 /nfs/dbraw/zinc/69/58/39/1019695839.db2.gz HHVWDMNSQMRRTN-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160560172 1019695853 /nfs/dbraw/zinc/69/58/53/1019695853.db2.gz HHVWDMNSQMRRTN-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO C[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)c2ncnn21 ZINC000664189050 1019717412 /nfs/dbraw/zinc/71/74/12/1019717412.db2.gz WHYALZHVRFEEPH-ZANVPECISA-N 1 2 344.216 3.707 20 0 EHADLO CCCN(C(=O)NCc1c[nH+]cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000291787211 1019726188 /nfs/dbraw/zinc/72/61/88/1019726188.db2.gz GMKFKSZNHBZZLV-AWEZNQCLSA-N 1 2 340.427 3.849 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000656259905 1019726913 /nfs/dbraw/zinc/72/69/13/1019726913.db2.gz NZFMXRHTZMEIAG-IBGZPJMESA-N 1 2 339.418 3.770 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000656259905 1019726931 /nfs/dbraw/zinc/72/69/31/1019726931.db2.gz NZFMXRHTZMEIAG-IBGZPJMESA-N 1 2 339.418 3.770 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000079102433 1019747695 /nfs/dbraw/zinc/74/76/95/1019747695.db2.gz BBDNJMMWZRWCKV-FUHWJXTLSA-N 1 2 344.503 3.792 20 0 EHADLO FC(F)(F)c1cccc(C2C[NH+](Cc3cc4n(n3)CCCC4)C2)c1 ZINC000656261411 1019758881 /nfs/dbraw/zinc/75/88/81/1019758881.db2.gz AJHVIVHXXVNBJI-UHFFFAOYSA-N 1 2 335.373 3.838 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1F ZINC001203399256 1019769980 /nfs/dbraw/zinc/76/99/80/1019769980.db2.gz QPHBPCSZUXYNTA-QWHCGFSZSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1F ZINC001203399256 1019769992 /nfs/dbraw/zinc/76/99/92/1019769992.db2.gz QPHBPCSZUXYNTA-QWHCGFSZSA-N 1 2 343.723 3.706 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[S@@]1=O ZINC000782194939 1019772763 /nfs/dbraw/zinc/77/27/63/1019772763.db2.gz XFYLQINNWXHLRA-IERDGZPVSA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[S@@]1=O ZINC000782194939 1019772776 /nfs/dbraw/zinc/77/27/76/1019772776.db2.gz XFYLQINNWXHLRA-IERDGZPVSA-N 1 2 325.905 3.950 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(C)c(F)c(C)c2)Cc2nn(CC)cc21 ZINC001143380703 1019806084 /nfs/dbraw/zinc/80/60/84/1019806084.db2.gz RIJBBZCJSKAPGC-QGZVFWFLSA-N 1 2 345.462 3.795 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)c(F)c(C)c2)Cc2nn(CC)cc21 ZINC001143380703 1019806093 /nfs/dbraw/zinc/80/60/93/1019806093.db2.gz RIJBBZCJSKAPGC-QGZVFWFLSA-N 1 2 345.462 3.795 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(OC3CCCCC3)cc2)n1 ZINC000545847174 1019890263 /nfs/dbraw/zinc/89/02/63/1019890263.db2.gz IWJITPIOCAVHKW-UHFFFAOYSA-N 1 2 338.411 3.772 20 0 EHADLO Cc1ccc2oc(=NC[C@H](c3ccccc3Cl)[NH+](C)C)[nH]c2c1 ZINC000513636426 1019894196 /nfs/dbraw/zinc/89/41/96/1019894196.db2.gz ZULYOPZSFLBTII-MRXNPFEDSA-N 1 2 329.831 3.926 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606841793 1032860491 /nfs/dbraw/zinc/86/04/91/1032860491.db2.gz LNNDUKAVHIJEKH-MOPGFXCFSA-N 1 2 325.456 3.562 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2cccc(Cl)c2)c1C ZINC000050448641 1019927858 /nfs/dbraw/zinc/92/78/58/1019927858.db2.gz RNBMGHFYBPLAFC-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)[nH]2)cc1 ZINC000471616208 1019967449 /nfs/dbraw/zinc/96/74/49/1019967449.db2.gz ANJIUXQMFHBULI-RBUKOAKNSA-N 1 2 348.450 3.810 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055683 1020049587 /nfs/dbraw/zinc/04/95/87/1020049587.db2.gz QMMHPUXDCFSZCV-KSSFIOAISA-N 1 2 342.439 3.619 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055683 1020049596 /nfs/dbraw/zinc/04/95/96/1020049596.db2.gz QMMHPUXDCFSZCV-KSSFIOAISA-N 1 2 342.439 3.619 20 0 EHADLO FC(F)(F)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000340811014 1020096425 /nfs/dbraw/zinc/09/64/25/1020096425.db2.gz BTRXHXSNGDYRFW-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO Cc1ccc2snc(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000345297355 1020135478 /nfs/dbraw/zinc/13/54/78/1020135478.db2.gz DQIMLTMZZHTBFK-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000580846121 1020138147 /nfs/dbraw/zinc/13/81/47/1020138147.db2.gz UEYWVRQFAVIDQP-HXUWFJFHSA-N 1 2 327.399 3.839 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000580846121 1020138152 /nfs/dbraw/zinc/13/81/52/1020138152.db2.gz UEYWVRQFAVIDQP-HXUWFJFHSA-N 1 2 327.399 3.839 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cnn1C(C)(C)C ZINC000345318360 1020165705 /nfs/dbraw/zinc/16/57/05/1020165705.db2.gz VOKTXRHLMUAOHQ-LLVKDONJSA-N 1 2 343.397 3.556 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c[nH+]cn1C ZINC000280235326 1020218106 /nfs/dbraw/zinc/21/81/06/1020218106.db2.gz SOZRIRIPUWPOKQ-GOSISDBHSA-N 1 2 327.472 3.531 20 0 EHADLO COc1cc(C)nc(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000214129109 1020240984 /nfs/dbraw/zinc/24/09/84/1020240984.db2.gz RMAFBIUHQCEFOW-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO C[C@H](c1cccc(NC(=O)CSC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000264293928 1020263052 /nfs/dbraw/zinc/26/30/52/1020263052.db2.gz WILWZRWZBBHWFT-CQSZACIVSA-N 1 2 336.501 3.550 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCC(C)CC1 ZINC000345460260 1020297923 /nfs/dbraw/zinc/29/79/23/1020297923.db2.gz PKIZOICQZYRTIZ-LRMJVLKBSA-N 1 2 330.472 3.914 20 0 EHADLO Cc1cnc(F)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480305 1020299844 /nfs/dbraw/zinc/29/98/44/1020299844.db2.gz HBJRFRRSDNGHGI-UHFFFAOYSA-N 1 2 330.750 3.621 20 0 EHADLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000606897190 1032890416 /nfs/dbraw/zinc/89/04/16/1032890416.db2.gz LBQIGYLWOAXPJN-DNVCBOLYSA-N 1 2 346.902 3.879 20 0 EHADLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000606897190 1032890429 /nfs/dbraw/zinc/89/04/29/1032890429.db2.gz LBQIGYLWOAXPJN-DNVCBOLYSA-N 1 2 346.902 3.879 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(F)c1 ZINC000580955380 1020306713 /nfs/dbraw/zinc/30/67/13/1020306713.db2.gz ZCEDXEKRCAALSO-ZLOXQWCVSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(F)c1 ZINC000580955380 1020306722 /nfs/dbraw/zinc/30/67/22/1020306722.db2.gz ZCEDXEKRCAALSO-ZLOXQWCVSA-N 1 2 335.444 3.765 20 0 EHADLO Cn1c[nH+]cc1CNc1cc(Br)cc(C(F)(F)F)c1 ZINC000090167232 1020321334 /nfs/dbraw/zinc/32/13/34/1020321334.db2.gz HLIWLUWALONTON-UHFFFAOYSA-N 1 2 334.139 3.814 20 0 EHADLO Cc1sccc1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000345569019 1020365753 /nfs/dbraw/zinc/36/57/53/1020365753.db2.gz NVQBAOWOTDZNHR-AWEZNQCLSA-N 1 2 344.480 3.631 20 0 EHADLO CC(C)[C@@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000280422814 1020380197 /nfs/dbraw/zinc/38/01/97/1020380197.db2.gz ZDHFVTILJBDEOA-CQSZACIVSA-N 1 2 338.377 3.552 20 0 EHADLO CC(C)[C@@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000280422814 1020380206 /nfs/dbraw/zinc/38/02/06/1020380206.db2.gz ZDHFVTILJBDEOA-CQSZACIVSA-N 1 2 338.377 3.552 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cccs2)no1 ZINC000345651942 1020427329 /nfs/dbraw/zinc/42/73/29/1020427329.db2.gz ZGJHBPXGMLOSKE-UHFFFAOYSA-N 1 2 332.335 3.783 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn[nH]c2)c2ccccc2Cl)cc1 ZINC000606914421 1032902562 /nfs/dbraw/zinc/90/25/62/1032902562.db2.gz JIKCWXPCRKLCEG-GOSISDBHSA-N 1 2 327.815 3.951 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000340862180 1020482128 /nfs/dbraw/zinc/48/21/28/1020482128.db2.gz NASKXVWHOOVAMB-DYESRHJHSA-N 1 2 337.467 3.800 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C)C[C@H](C)O1 ZINC000340869845 1020490805 /nfs/dbraw/zinc/49/08/05/1020490805.db2.gz AEABHNOFKAWRSJ-VXIBKDFQSA-N 1 2 342.483 3.837 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C)C[C@H](C)O1 ZINC000340869845 1020490808 /nfs/dbraw/zinc/49/08/08/1020490808.db2.gz AEABHNOFKAWRSJ-VXIBKDFQSA-N 1 2 342.483 3.837 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000340877353 1020527562 /nfs/dbraw/zinc/52/75/62/1020527562.db2.gz RSZDGAGGAXBGAW-LJQANCHMSA-N 1 2 329.465 3.606 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000340877353 1020527567 /nfs/dbraw/zinc/52/75/67/1020527567.db2.gz RSZDGAGGAXBGAW-LJQANCHMSA-N 1 2 329.465 3.606 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)CC1CCCC1 ZINC000126330928 1020582786 /nfs/dbraw/zinc/58/27/86/1020582786.db2.gz SYNCMPSKHGJSRP-QGZVFWFLSA-N 1 2 344.499 3.982 20 0 EHADLO Cc1cc(CN=c2[nH]oc3ccc(Cl)cc32)cc(N2CCCC2)[nH+]1 ZINC000581283771 1020629311 /nfs/dbraw/zinc/62/93/11/1020629311.db2.gz ZWINDQBMEFDRSW-UHFFFAOYSA-N 1 2 342.830 3.819 20 0 EHADLO CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000340927577 1020632326 /nfs/dbraw/zinc/63/23/26/1020632326.db2.gz GKHCZZAOWOOUAY-AWEZNQCLSA-N 1 2 331.847 3.631 20 0 EHADLO CCCCc1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000128669452 1020640183 /nfs/dbraw/zinc/64/01/83/1020640183.db2.gz CLBBVIVCZHKSTR-IBGZPJMESA-N 1 2 345.443 3.670 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[C@H](OC)C1 ZINC000581313919 1020667960 /nfs/dbraw/zinc/66/79/60/1020667960.db2.gz VYINXMIBOHTLOR-XKGZKEIXSA-N 1 2 341.451 3.676 20 0 EHADLO CC(C)(C)[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(F)c1 ZINC001125497318 1020825800 /nfs/dbraw/zinc/82/58/00/1020825800.db2.gz HMRBIFSDOSYFME-QGZVFWFLSA-N 1 2 325.387 3.991 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(Br)ccc1C)C2 ZINC000933255958 1020829857 /nfs/dbraw/zinc/82/98/57/1020829857.db2.gz SRDODPCGIJSREE-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1nccs1 ZINC000093397993 1032934011 /nfs/dbraw/zinc/93/40/11/1032934011.db2.gz VHXAZYGXNIVKLG-AWEZNQCLSA-N 1 2 325.437 3.968 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000341036691 1020895831 /nfs/dbraw/zinc/89/58/31/1020895831.db2.gz QJXDSVYBPGJQRA-CVEARBPZSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1F ZINC000137542243 1032945603 /nfs/dbraw/zinc/94/56/03/1032945603.db2.gz CSPUGBGOOKTPQP-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1F ZINC000137542243 1032945615 /nfs/dbraw/zinc/94/56/15/1032945615.db2.gz CSPUGBGOOKTPQP-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000656636858 1021068892 /nfs/dbraw/zinc/06/88/92/1021068892.db2.gz NHYLXKYEQPWRCN-LJQANCHMSA-N 1 2 338.455 3.582 20 0 EHADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000656636858 1021068899 /nfs/dbraw/zinc/06/88/99/1021068899.db2.gz NHYLXKYEQPWRCN-LJQANCHMSA-N 1 2 338.455 3.582 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000129409465 1021075479 /nfs/dbraw/zinc/07/54/79/1021075479.db2.gz VUAVTYIBILKUTL-GOSISDBHSA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000129409465 1021075485 /nfs/dbraw/zinc/07/54/85/1021075485.db2.gz VUAVTYIBILKUTL-GOSISDBHSA-N 1 2 336.460 3.902 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC000341216122 1021116003 /nfs/dbraw/zinc/11/60/03/1021116003.db2.gz FMWOVQCLYHKDDZ-GFCCVEGCSA-N 1 2 344.484 3.551 20 0 EHADLO O=C(CCCC(F)(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341234788 1021146712 /nfs/dbraw/zinc/14/67/12/1021146712.db2.gz FIITZDIKXNLFKA-UHFFFAOYSA-N 1 2 331.382 3.635 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[C@H](OC)C1 ZINC000581610832 1021148607 /nfs/dbraw/zinc/14/86/07/1021148607.db2.gz DPPMATHXONFHEB-RVKKMQEKSA-N 1 2 347.480 3.738 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000656681348 1021159706 /nfs/dbraw/zinc/15/97/06/1021159706.db2.gz DORJXHKLHNHGOS-RDBSUJKOSA-N 1 2 329.469 3.550 20 0 EHADLO CCc1cc(C)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000341243490 1021167572 /nfs/dbraw/zinc/16/75/72/1021167572.db2.gz RHBCNRVQJPRYOH-UHFFFAOYSA-N 1 2 329.444 3.680 20 0 EHADLO FC1CC2(C1)C[NH+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C2 ZINC000656694065 1021176570 /nfs/dbraw/zinc/17/65/70/1021176570.db2.gz JOUYRTDSEUEILH-INIZCTEOSA-N 1 2 339.838 3.832 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(F)cc1F ZINC000051119465 1021183792 /nfs/dbraw/zinc/18/37/92/1021183792.db2.gz GLWNJBQEYUKJMI-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(F)cc1F ZINC000051119465 1021183795 /nfs/dbraw/zinc/18/37/95/1021183795.db2.gz GLWNJBQEYUKJMI-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2snnc2C)c2ccc(F)cc2)cc1 ZINC000426300380 1021212542 /nfs/dbraw/zinc/21/25/42/1021212542.db2.gz FGFAAMTYFXZQOX-SFHVURJKSA-N 1 2 343.427 3.873 20 0 EHADLO O[C@H](C[NH+](Cc1ccco1)Cc1ccco1)c1ccc(F)cc1F ZINC000051126533 1021224841 /nfs/dbraw/zinc/22/48/41/1021224841.db2.gz PJLMFKGXPMWFCM-GOSISDBHSA-N 1 2 333.334 3.887 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)n[nH]1 ZINC000516255507 1021237274 /nfs/dbraw/zinc/23/72/74/1021237274.db2.gz RDZGPIXWOPYVAF-CQSZACIVSA-N 1 2 346.862 3.545 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)n[nH]1 ZINC000516255507 1021237279 /nfs/dbraw/zinc/23/72/79/1021237279.db2.gz RDZGPIXWOPYVAF-CQSZACIVSA-N 1 2 346.862 3.545 20 0 EHADLO CC(C)c1nnc(CC[NH2+][C@H](Cc2ccccc2)C(F)F)s1 ZINC000426329658 1021280960 /nfs/dbraw/zinc/28/09/60/1021280960.db2.gz HDBRDZKQFBSBCX-CYBMUJFWSA-N 1 2 325.428 3.670 20 0 EHADLO Cc1ccc(Cc2nc(C(=O)Nc3cccc4[nH+]ccn43)cs2)cc1 ZINC000507480753 1021292646 /nfs/dbraw/zinc/29/26/46/1021292646.db2.gz RUISTFLGPXZZKQ-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000894844695 1021327722 /nfs/dbraw/zinc/32/77/22/1021327722.db2.gz UVJFSAOVQNNNSH-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000894844695 1021327735 /nfs/dbraw/zinc/32/77/35/1021327735.db2.gz UVJFSAOVQNNNSH-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)ccc12 ZINC000341294549 1021369733 /nfs/dbraw/zinc/36/97/33/1021369733.db2.gz AYMKFARHOXIHLM-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO O=C(Cc1ccccc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341314635 1021417547 /nfs/dbraw/zinc/41/75/47/1021417547.db2.gz OTHZKAKYHWZXDP-UHFFFAOYSA-N 1 2 345.874 3.798 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000507672005 1021428032 /nfs/dbraw/zinc/42/80/32/1021428032.db2.gz ICDPAJUWOBRUBC-AWEZNQCLSA-N 1 2 334.385 3.983 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)cc2O[C@H](C)CC)on1 ZINC000602569534 1032979196 /nfs/dbraw/zinc/97/91/96/1032979196.db2.gz SVDMOHNYIFDNDJ-CQSZACIVSA-N 1 2 346.427 3.627 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CC3(CCC3)C2)c(C)c1 ZINC000516470232 1021460523 /nfs/dbraw/zinc/46/05/23/1021460523.db2.gz JEKDEOVHXVOZJB-LJQANCHMSA-N 1 2 337.467 3.938 20 0 EHADLO C[C@@]1([NH2+]Cc2ncccc2Br)CCOc2ccccc21 ZINC000933369107 1021484818 /nfs/dbraw/zinc/48/48/18/1021484818.db2.gz IPDRVQFIKWQGEA-MRXNPFEDSA-N 1 2 333.229 3.632 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345999834 1021493127 /nfs/dbraw/zinc/49/31/27/1021493127.db2.gz YPRNNVDRXYBVRH-RDJZCZTQSA-N 1 2 343.496 3.653 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000729478037 1021521206 /nfs/dbraw/zinc/52/12/06/1021521206.db2.gz PRDRXSFSKHPSOV-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000729478037 1021521219 /nfs/dbraw/zinc/52/12/19/1021521219.db2.gz PRDRXSFSKHPSOV-UHFFFAOYSA-N 1 2 328.843 3.954 20 0 EHADLO CC[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cccs1 ZINC000437096037 1021549726 /nfs/dbraw/zinc/54/97/26/1021549726.db2.gz MLNLXCHSQHWNCS-HNNXBMFYSA-N 1 2 330.432 3.768 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000516567552 1021552682 /nfs/dbraw/zinc/55/26/82/1021552682.db2.gz MJQQRELAIVPTFJ-DGCLKSJQSA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000516567552 1021552692 /nfs/dbraw/zinc/55/26/92/1021552692.db2.gz MJQQRELAIVPTFJ-DGCLKSJQSA-N 1 2 345.270 3.820 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(C)cccc3C2)c(F)c1 ZINC000729480017 1021570810 /nfs/dbraw/zinc/57/08/10/1021570810.db2.gz UCRHRABHQYGXHZ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(C)cccc3C2)c(F)c1 ZINC000729480017 1021570817 /nfs/dbraw/zinc/57/08/17/1021570817.db2.gz UCRHRABHQYGXHZ-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)c1cccc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000519628523 1021581954 /nfs/dbraw/zinc/58/19/54/1021581954.db2.gz UDCRGDAMSPBXIM-UHFFFAOYSA-N 1 2 334.423 3.631 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@@H+]3CCO[C@@H](C)C3)oc21 ZINC000440603305 1021644774 /nfs/dbraw/zinc/64/47/74/1021644774.db2.gz YIFVYIVTSOBGPB-NSHDSACASA-N 1 2 326.849 3.602 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@H+]3CCO[C@@H](C)C3)oc21 ZINC000440603305 1021644781 /nfs/dbraw/zinc/64/47/81/1021644781.db2.gz YIFVYIVTSOBGPB-NSHDSACASA-N 1 2 326.849 3.602 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)sc1Cl ZINC000516710309 1021674346 /nfs/dbraw/zinc/67/43/46/1021674346.db2.gz ZGRFCBUHYLWNMN-LLVKDONJSA-N 1 2 332.252 3.887 20 0 EHADLO COc1cccc2c(N[C@H](C)C(=O)N3Cc4ccccc4C3)cc[nH+]c12 ZINC000440639307 1021682958 /nfs/dbraw/zinc/68/29/58/1021682958.db2.gz RRTKBXRZLJCYMJ-CQSZACIVSA-N 1 2 347.418 3.586 20 0 EHADLO c1ccc(N2CC[C@@H](Nc3ncnc4sc5ccccc5c43)C2)[nH+]c1 ZINC000440643821 1021687271 /nfs/dbraw/zinc/68/72/71/1021687271.db2.gz ANGPUSHQRILKRN-CYBMUJFWSA-N 1 2 347.447 3.930 20 0 EHADLO Cc1cc(C)nc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000519789612 1021692598 /nfs/dbraw/zinc/69/25/98/1021692598.db2.gz FNGQSZQNWFNOBH-UHFFFAOYSA-N 1 2 345.406 3.584 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000519809350 1021698778 /nfs/dbraw/zinc/69/87/78/1021698778.db2.gz AVAONMICULNBKJ-BMFZPTHFSA-N 1 2 343.858 3.936 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(Cl)s1 ZINC000015305274 1021713034 /nfs/dbraw/zinc/71/30/34/1021713034.db2.gz LDAHJGKUSGKABL-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(Cl)s1 ZINC000015305274 1021713043 /nfs/dbraw/zinc/71/30/43/1021713043.db2.gz LDAHJGKUSGKABL-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CCCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1cccc(F)c1 ZINC000341399559 1021713954 /nfs/dbraw/zinc/71/39/54/1021713954.db2.gz VXFYQMOVTUREFB-UHFFFAOYSA-N 1 2 327.407 3.618 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)[C@@H]1OCCc2sccc21 ZINC000519822771 1021715814 /nfs/dbraw/zinc/71/58/14/1021715814.db2.gz FDWNROZIFXUPBE-BZNIZROVSA-N 1 2 333.457 3.581 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000518995651 1021743842 /nfs/dbraw/zinc/74/38/42/1021743842.db2.gz DSAVJYIQGJINHU-SJKOYZFVSA-N 1 2 346.862 3.749 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440821216 1021791582 /nfs/dbraw/zinc/79/15/82/1021791582.db2.gz AAXZIRUMOVRCFA-WDYCEAGBSA-N 1 2 342.487 3.975 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccco1 ZINC000440812435 1021804066 /nfs/dbraw/zinc/80/40/66/1021804066.db2.gz VKPZMPFOJQPLSM-GFCCVEGCSA-N 1 2 331.338 3.525 20 0 EHADLO Cc1cc(Br)cn2c(CNc3cncc(F)c3)c[nH+]c12 ZINC000341420597 1021819808 /nfs/dbraw/zinc/81/98/08/1021819808.db2.gz JJEBCGXMHVDIHG-UHFFFAOYSA-N 1 2 335.180 3.551 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C2CC2)c(OC)c1 ZINC000891522598 1021825686 /nfs/dbraw/zinc/82/56/86/1021825686.db2.gz OSMQIOAMNIUKAZ-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C2CC2)c(OC)c1 ZINC000891522598 1021825701 /nfs/dbraw/zinc/82/57/01/1021825701.db2.gz OSMQIOAMNIUKAZ-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CCc5cc(F)ccc54)n3)[nH+]c12 ZINC000664776543 1021838414 /nfs/dbraw/zinc/83/84/14/1021838414.db2.gz CPCFUNNOGAFYBH-KRWDZBQOSA-N 1 2 348.381 3.834 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000593696365 1033010458 /nfs/dbraw/zinc/01/04/58/1033010458.db2.gz DNEIPYSFRMDYKV-CQSZACIVSA-N 1 2 349.500 3.701 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000593696365 1033010470 /nfs/dbraw/zinc/01/04/70/1033010470.db2.gz DNEIPYSFRMDYKV-CQSZACIVSA-N 1 2 349.500 3.701 20 0 EHADLO CCOc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1 ZINC000891531480 1021856827 /nfs/dbraw/zinc/85/68/27/1021856827.db2.gz JVJJLOMVZIXMPM-UHFFFAOYSA-N 1 2 341.411 3.571 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000516966405 1021899987 /nfs/dbraw/zinc/89/99/87/1021899987.db2.gz MRVUZUXEHCRFDV-UFYCRDLUSA-N 1 2 345.446 3.994 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000437523597 1021915125 /nfs/dbraw/zinc/91/51/25/1021915125.db2.gz BRSQOPNIBVDYAM-JKSUJKDBSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000437523597 1021915136 /nfs/dbraw/zinc/91/51/36/1021915136.db2.gz BRSQOPNIBVDYAM-JKSUJKDBSA-N 1 2 338.904 3.947 20 0 EHADLO Nc1cn(-c2ccn3cc[nH+]c3c2)c2ccc(Br)cc12 ZINC001204966427 1021933407 /nfs/dbraw/zinc/93/34/07/1021933407.db2.gz RTXYXTNVCUQMMU-UHFFFAOYSA-N 1 2 327.185 3.623 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440105121 1021954472 /nfs/dbraw/zinc/95/44/72/1021954472.db2.gz MIWIWDHGICOPJL-MRXNPFEDSA-N 1 2 347.418 3.663 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1C)C2 ZINC000441070200 1021965558 /nfs/dbraw/zinc/96/55/58/1021965558.db2.gz VJIXKSTVQUYVDO-UHFFFAOYSA-N 1 2 338.451 3.781 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1C)C2 ZINC000441070200 1021965567 /nfs/dbraw/zinc/96/55/67/1021965567.db2.gz VJIXKSTVQUYVDO-UHFFFAOYSA-N 1 2 338.451 3.781 20 0 EHADLO CC[N@H+](CCC(=O)C(C)C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000290261248 1021976204 /nfs/dbraw/zinc/97/62/04/1021976204.db2.gz KQNRHOVSUCGZLK-UHFFFAOYSA-N 1 2 344.377 3.581 20 0 EHADLO CC[N@@H+](CCC(=O)C(C)C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000290261248 1021976217 /nfs/dbraw/zinc/97/62/17/1021976217.db2.gz KQNRHOVSUCGZLK-UHFFFAOYSA-N 1 2 344.377 3.581 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587652 1021978497 /nfs/dbraw/zinc/97/84/97/1021978497.db2.gz GDQDSIPQIHWKKS-IGNZVWTISA-N 1 2 330.403 3.613 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587652 1021978512 /nfs/dbraw/zinc/97/85/12/1021978512.db2.gz GDQDSIPQIHWKKS-IGNZVWTISA-N 1 2 330.403 3.613 20 0 EHADLO CC(C)(C)[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000073289520 1021979407 /nfs/dbraw/zinc/97/94/07/1021979407.db2.gz CRZDASDOMRAQKU-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675455 1033019802 /nfs/dbraw/zinc/01/98/02/1033019802.db2.gz ZXMQXDWPXNTANZ-RCOVLWMOSA-N 1 2 334.190 3.800 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675455 1033019817 /nfs/dbraw/zinc/01/98/17/1033019817.db2.gz ZXMQXDWPXNTANZ-RCOVLWMOSA-N 1 2 334.190 3.800 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+](C)CCC(=O)c1cccs1 ZINC001143399917 1021980314 /nfs/dbraw/zinc/98/03/14/1021980314.db2.gz DYTXPQNZFGTFGR-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001143399917 1021980319 /nfs/dbraw/zinc/98/03/19/1021980319.db2.gz DYTXPQNZFGTFGR-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1F ZINC000520173621 1021988092 /nfs/dbraw/zinc/98/80/92/1021988092.db2.gz SKORTXQFERBUCW-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1F ZINC000520173621 1021988095 /nfs/dbraw/zinc/98/80/95/1021988095.db2.gz SKORTXQFERBUCW-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO CC(C)[N@H+](Cc1ccco1)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000891585769 1021991676 /nfs/dbraw/zinc/99/16/76/1021991676.db2.gz WRFTURZYQJIIGN-UHFFFAOYSA-N 1 2 348.447 3.771 20 0 EHADLO CC(C)[N@@H+](Cc1ccco1)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000891585769 1021991686 /nfs/dbraw/zinc/99/16/86/1021991686.db2.gz WRFTURZYQJIIGN-UHFFFAOYSA-N 1 2 348.447 3.771 20 0 EHADLO Clc1cnn([C@H]2CC[N@H+](Cc3cscc3Br)C2)c1 ZINC000290363405 1022001202 /nfs/dbraw/zinc/00/12/02/1022001202.db2.gz ADFKURYMWYEHTM-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO Clc1cnn([C@H]2CC[N@@H+](Cc3cscc3Br)C2)c1 ZINC000290363405 1022001215 /nfs/dbraw/zinc/00/12/15/1022001215.db2.gz ADFKURYMWYEHTM-NSHDSACASA-N 1 2 346.681 3.808 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1OC ZINC000341478170 1022009032 /nfs/dbraw/zinc/00/90/32/1022009032.db2.gz WRECDBIQVBEQLF-LBPRGKRZSA-N 1 2 343.383 3.588 20 0 EHADLO FC(F)(F)c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000441176145 1022036219 /nfs/dbraw/zinc/03/62/19/1022036219.db2.gz UPNHTELTNQJXIT-MRXNPFEDSA-N 1 2 341.329 3.751 20 0 EHADLO FC(F)(F)c1ccc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000441176145 1022036236 /nfs/dbraw/zinc/03/62/36/1022036236.db2.gz UPNHTELTNQJXIT-MRXNPFEDSA-N 1 2 341.329 3.751 20 0 EHADLO CCOc1ccc([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341504031 1022044047 /nfs/dbraw/zinc/04/40/47/1022044047.db2.gz QJHGTBHQFUXMTN-ZDUSSCGKSA-N 1 2 327.428 3.665 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccccc4C)OC[C@@H]3C)ccn12 ZINC000519422457 1022080065 /nfs/dbraw/zinc/08/00/65/1022080065.db2.gz WBYNWHUWPPQGHT-QFBILLFUSA-N 1 2 349.434 3.553 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)[nH]1 ZINC000602640292 1033028275 /nfs/dbraw/zinc/02/82/75/1033028275.db2.gz MPPQOGTZNAJHKH-MRVPVSSYSA-N 1 2 347.362 3.518 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2cc(Cl)ccc2Cl)no1 ZINC000441268938 1022105110 /nfs/dbraw/zinc/10/51/10/1022105110.db2.gz LUWSQXBCCACYOZ-UHFFFAOYSA-N 1 2 344.242 3.843 20 0 EHADLO Cc1cc(C(N)=[NH+]OCc2csc(Br)c2)ccc1F ZINC000049066021 1022115459 /nfs/dbraw/zinc/11/54/59/1022115459.db2.gz WPDPZBZDTSRPBR-UHFFFAOYSA-N 1 2 343.221 3.795 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000506126749 1022132536 /nfs/dbraw/zinc/13/25/36/1022132536.db2.gz VSRJVTQMZQTKSD-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000506126749 1022132542 /nfs/dbraw/zinc/13/25/42/1022132542.db2.gz VSRJVTQMZQTKSD-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO COCc1nc(C[NH2+]Cc2cncc(F)c2)c(-c2ccccc2)s1 ZINC000441332091 1022168430 /nfs/dbraw/zinc/16/84/30/1022168430.db2.gz QDDUUIKPXNBWIB-UHFFFAOYSA-N 1 2 343.427 3.780 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000441379917 1022201399 /nfs/dbraw/zinc/20/13/99/1022201399.db2.gz FMGFYGZFHSVFOQ-NRFANRHFSA-N 1 2 341.451 3.618 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000441379917 1022201407 /nfs/dbraw/zinc/20/14/07/1022201407.db2.gz FMGFYGZFHSVFOQ-NRFANRHFSA-N 1 2 341.451 3.618 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)CCO2 ZINC000341543614 1022215427 /nfs/dbraw/zinc/21/54/27/1022215427.db2.gz LDXHPWRCQOTWLW-IBGZPJMESA-N 1 2 349.434 3.553 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1cccc(C)n1)[C@H](C)c1ccc(F)cc1 ZINC000437895111 1022237918 /nfs/dbraw/zinc/23/79/18/1022237918.db2.gz LJQNXTRKJZBQBU-MRXNPFEDSA-N 1 2 343.446 3.571 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1cccc(C)n1)[C@H](C)c1ccc(F)cc1 ZINC000437895111 1022237926 /nfs/dbraw/zinc/23/79/26/1022237926.db2.gz LJQNXTRKJZBQBU-MRXNPFEDSA-N 1 2 343.446 3.571 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1 ZINC000437898171 1022240624 /nfs/dbraw/zinc/24/06/24/1022240624.db2.gz TXBIKLOCKRNHSM-DLBZAZTESA-N 1 2 337.467 3.578 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1 ZINC000437898171 1022240633 /nfs/dbraw/zinc/24/06/33/1022240633.db2.gz TXBIKLOCKRNHSM-DLBZAZTESA-N 1 2 337.467 3.578 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143567377 1022272110 /nfs/dbraw/zinc/27/21/10/1022272110.db2.gz CYAHKJFEJOWLKN-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001143567377 1022272120 /nfs/dbraw/zinc/27/21/20/1022272120.db2.gz CYAHKJFEJOWLKN-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000112598909 1022282580 /nfs/dbraw/zinc/28/25/80/1022282580.db2.gz MBKPATBKZRHUHJ-NSHDSACASA-N 1 2 336.794 3.816 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000112598909 1022282585 /nfs/dbraw/zinc/28/25/85/1022282585.db2.gz MBKPATBKZRHUHJ-NSHDSACASA-N 1 2 336.794 3.816 20 0 EHADLO CC[C@H]1C[C@@]1(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C)c1 ZINC000506175173 1022375147 /nfs/dbraw/zinc/37/51/47/1022375147.db2.gz LBGDUJOUUPLNHL-KKSFZXQISA-N 1 2 346.434 3.631 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NCC2(C)CCCC2)c1)[NH+]1CCOCC1 ZINC000517505617 1022401152 /nfs/dbraw/zinc/40/11/52/1022401152.db2.gz ACADJIMADLNXFU-INIZCTEOSA-N 1 2 345.487 3.782 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)CCc3ccc(C)o3)ccc2[nH+]1 ZINC000438129295 1022407127 /nfs/dbraw/zinc/40/71/27/1022407127.db2.gz REXSDBNTNFOIAS-GFCCVEGCSA-N 1 2 326.400 3.687 20 0 EHADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(-c3ccccc3)cc2)C2CC2)C1 ZINC000111234275 1022446670 /nfs/dbraw/zinc/44/66/70/1022446670.db2.gz QFEXZXLZKVDWLW-FQEVSTJZSA-N 1 2 341.476 3.505 20 0 EHADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(-c3ccccc3)cc2)C2CC2)C1 ZINC000111234275 1022446677 /nfs/dbraw/zinc/44/66/77/1022446677.db2.gz QFEXZXLZKVDWLW-FQEVSTJZSA-N 1 2 341.476 3.505 20 0 EHADLO CC(C)CC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000440453842 1022454825 /nfs/dbraw/zinc/45/48/25/1022454825.db2.gz FMTODQRKYGFQOM-INIZCTEOSA-N 1 2 330.472 3.845 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000891739086 1022495428 /nfs/dbraw/zinc/49/54/28/1022495428.db2.gz PVLPGFQLWXJFNL-QGZVFWFLSA-N 1 2 325.412 3.902 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000891739086 1022495432 /nfs/dbraw/zinc/49/54/32/1022495432.db2.gz PVLPGFQLWXJFNL-QGZVFWFLSA-N 1 2 325.412 3.902 20 0 EHADLO CCCCCCOc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1OC ZINC000276738883 1022530049 /nfs/dbraw/zinc/53/00/49/1022530049.db2.gz RQRKYQVDTLRXIC-HNNXBMFYSA-N 1 2 346.475 3.634 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(c2ccccc2C)CC1 ZINC000438303925 1022544814 /nfs/dbraw/zinc/54/48/14/1022544814.db2.gz NPODSEWMJMYFCT-LJQANCHMSA-N 1 2 341.426 3.540 20 0 EHADLO Cn1ncc(C[N@H+](C)Cc2csc(Br)c2)c1C1CC1 ZINC000891753116 1022547863 /nfs/dbraw/zinc/54/78/63/1022547863.db2.gz RZEDXMYSMWQOMP-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc(C[N@@H+](C)Cc2csc(Br)c2)c1C1CC1 ZINC000891753116 1022547871 /nfs/dbraw/zinc/54/78/71/1022547871.db2.gz RZEDXMYSMWQOMP-UHFFFAOYSA-N 1 2 340.290 3.754 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)CCc2ccccc2)c1C ZINC000051335437 1022571521 /nfs/dbraw/zinc/57/15/21/1022571521.db2.gz JKGIMPIMZKFMPQ-OAHLLOKOSA-N 1 2 341.455 3.528 20 0 EHADLO Cc1ncoc1C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000894588400 1022593641 /nfs/dbraw/zinc/59/36/41/1022593641.db2.gz ULNLGAUGNRDJHI-LLVKDONJSA-N 1 2 325.231 3.682 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC[C@H](O)Cc3ccc(F)cc3)cc2)c1C ZINC000517733928 1022606187 /nfs/dbraw/zinc/60/61/87/1022606187.db2.gz HQSCBAPCVJLJQI-HXUWFJFHSA-N 1 2 339.414 3.644 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)O1 ZINC000665001079 1022618900 /nfs/dbraw/zinc/61/89/00/1022618900.db2.gz QZJAVRICOVAJCR-NKGKWGDASA-N 1 2 339.439 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)O1 ZINC000665001079 1022618909 /nfs/dbraw/zinc/61/89/09/1022618909.db2.gz QZJAVRICOVAJCR-NKGKWGDASA-N 1 2 339.439 3.545 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1cscn1 ZINC000517759522 1022638652 /nfs/dbraw/zinc/63/86/52/1022638652.db2.gz OMZLMKQLBVYJGU-LBPRGKRZSA-N 1 2 330.432 3.936 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)NC3CCCC3)cc2C)[nH+]c1C ZINC000517759298 1022639088 /nfs/dbraw/zinc/63/90/88/1022639088.db2.gz LFCYJZPADMAPOJ-UHFFFAOYSA-N 1 2 326.444 3.619 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c(F)c1 ZINC000894631578 1022641974 /nfs/dbraw/zinc/64/19/74/1022641974.db2.gz HXBAFUHVGIZVDV-UHFFFAOYSA-N 1 2 340.292 3.955 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1OC ZINC000894644955 1022661503 /nfs/dbraw/zinc/66/15/03/1022661503.db2.gz MZEOJMBSXNIRCF-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1OC ZINC000894644955 1022661511 /nfs/dbraw/zinc/66/15/11/1022661511.db2.gz MZEOJMBSXNIRCF-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000430767909 1022670417 /nfs/dbraw/zinc/67/04/17/1022670417.db2.gz KACSPUFZBUFFHX-MRXNPFEDSA-N 1 2 349.434 3.664 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000430767909 1022670422 /nfs/dbraw/zinc/67/04/22/1022670422.db2.gz KACSPUFZBUFFHX-MRXNPFEDSA-N 1 2 349.434 3.664 20 0 EHADLO Cn1cc(C[N@H+](Cc2cccn2C)Cc2ccc(Cl)cc2)cn1 ZINC000430768156 1022670519 /nfs/dbraw/zinc/67/05/19/1022670519.db2.gz OFBXJHQRAGNZMX-UHFFFAOYSA-N 1 2 328.847 3.614 20 0 EHADLO Cn1cc(C[N@@H+](Cc2cccn2C)Cc2ccc(Cl)cc2)cn1 ZINC000430768156 1022670527 /nfs/dbraw/zinc/67/05/27/1022670527.db2.gz OFBXJHQRAGNZMX-UHFFFAOYSA-N 1 2 328.847 3.614 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)O2 ZINC000430777251 1022683542 /nfs/dbraw/zinc/68/35/42/1022683542.db2.gz UVBAPBRCKSOXDS-IIYDPXPESA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)O2 ZINC000430777251 1022683551 /nfs/dbraw/zinc/68/35/51/1022683551.db2.gz UVBAPBRCKSOXDS-IIYDPXPESA-N 1 2 327.827 3.638 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)NCc2ccc(Cl)cc2)C2CC2)o1 ZINC000052993882 1022699381 /nfs/dbraw/zinc/69/93/81/1022699381.db2.gz GOJGDCSQSLBFKB-UHFFFAOYSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C2CC2)o1 ZINC000052993882 1022699394 /nfs/dbraw/zinc/69/93/94/1022699394.db2.gz GOJGDCSQSLBFKB-UHFFFAOYSA-N 1 2 332.831 3.522 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(Cc2ccccc2)[nH]n1 ZINC000550194531 1022704292 /nfs/dbraw/zinc/70/42/92/1022704292.db2.gz NWTKMVYVNMTSEM-UHFFFAOYSA-N 1 2 343.390 3.643 20 0 EHADLO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000152304156 1022705630 /nfs/dbraw/zinc/70/56/30/1022705630.db2.gz OBBHTOZNRFJJFP-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO COc1ccc2ccc(NC[C@@H](n3cccn3)C(F)(F)F)[nH+]c2c1 ZINC000894705357 1022775880 /nfs/dbraw/zinc/77/58/80/1022775880.db2.gz ZJCLSXAAIOXDCX-CQSZACIVSA-N 1 2 336.317 3.655 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cccc(OC(C)(C)C)n2)cn1 ZINC000440471544 1022813554 /nfs/dbraw/zinc/81/35/54/1022813554.db2.gz VCVZOHJLOMXMIM-UHFFFAOYSA-N 1 2 328.460 3.804 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cccc(OC(C)(C)C)n2)cn1 ZINC000440471544 1022813569 /nfs/dbraw/zinc/81/35/69/1022813569.db2.gz VCVZOHJLOMXMIM-UHFFFAOYSA-N 1 2 328.460 3.804 20 0 EHADLO Cc1ncc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000112241556 1022870940 /nfs/dbraw/zinc/87/09/40/1022870940.db2.gz AEQNDIMSUHQBFN-HWKANZROSA-N 1 2 344.827 3.943 20 0 EHADLO CC1(C)CC(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000548405161 1022927537 /nfs/dbraw/zinc/92/75/37/1022927537.db2.gz YZZJJCBKSWSYDU-UHFFFAOYSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@H]2CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000519577756 1022934239 /nfs/dbraw/zinc/93/42/39/1022934239.db2.gz YLFKZRJMGNGHAC-YJBOKZPZSA-N 1 2 343.471 3.534 20 0 EHADLO Cc1nocc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000293989694 1022950239 /nfs/dbraw/zinc/95/02/39/1022950239.db2.gz RYWHDRZQMOKOMF-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1nocc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000293989694 1022950248 /nfs/dbraw/zinc/95/02/48/1022950248.db2.gz RYWHDRZQMOKOMF-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933768508 1022961486 /nfs/dbraw/zinc/96/14/86/1022961486.db2.gz RODMDGBTWFBZTQ-WSIUPNEHSA-N 1 2 337.467 3.502 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000506891341 1022993350 /nfs/dbraw/zinc/99/33/50/1022993350.db2.gz FAJMVTYZHILCGS-IBGZPJMESA-N 1 2 345.414 3.613 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000506891341 1022993362 /nfs/dbraw/zinc/99/33/62/1022993362.db2.gz FAJMVTYZHILCGS-IBGZPJMESA-N 1 2 345.414 3.613 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091703837 1023052325 /nfs/dbraw/zinc/05/23/25/1023052325.db2.gz AUCNJYXHIHWKMS-PKOBYXMFSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091703837 1023052329 /nfs/dbraw/zinc/05/23/29/1023052329.db2.gz AUCNJYXHIHWKMS-PKOBYXMFSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506403042 1023069436 /nfs/dbraw/zinc/06/94/36/1023069436.db2.gz LHVQYJSDJXBOFY-UHFFFAOYSA-N 1 2 344.430 3.776 20 0 EHADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000276826975 1023076461 /nfs/dbraw/zinc/07/64/61/1023076461.db2.gz QGESYAHOWQGXJF-ZDUSSCGKSA-N 1 2 346.780 3.556 20 0 EHADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000276826975 1023076465 /nfs/dbraw/zinc/07/64/65/1023076465.db2.gz QGESYAHOWQGXJF-ZDUSSCGKSA-N 1 2 346.780 3.556 20 0 EHADLO Clc1ccc(-c2ncc(C[NH2+]Cc3nnc(C4CC4)[nH]3)s2)cc1 ZINC000294697138 1023084110 /nfs/dbraw/zinc/08/41/10/1023084110.db2.gz CTJCKISALCZXBQ-UHFFFAOYSA-N 1 2 345.859 3.749 20 0 EHADLO CCCCc1noc(C[N@H+](Cc2ccccc2)C[C@](C)(O)CC)n1 ZINC000189742778 1023096845 /nfs/dbraw/zinc/09/68/45/1023096845.db2.gz ZLXQCCGTGJVRQX-LJQANCHMSA-N 1 2 331.460 3.575 20 0 EHADLO CCCCc1noc(C[N@@H+](Cc2ccccc2)C[C@](C)(O)CC)n1 ZINC000189742778 1023096855 /nfs/dbraw/zinc/09/68/55/1023096855.db2.gz ZLXQCCGTGJVRQX-LJQANCHMSA-N 1 2 331.460 3.575 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(O)c1 ZINC000189772043 1023100539 /nfs/dbraw/zinc/10/05/39/1023100539.db2.gz LSCZVIUSDUVVSN-CQSZACIVSA-N 1 2 344.480 3.535 20 0 EHADLO CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000345974756 1023118476 /nfs/dbraw/zinc/11/84/76/1023118476.db2.gz DXHNXECPJGTNDD-UHFFFAOYSA-N 1 2 337.398 3.605 20 0 EHADLO C[C@@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000253546776 1023127481 /nfs/dbraw/zinc/12/74/81/1023127481.db2.gz WJZIUGAAEZRICQ-BZUAXINKSA-N 1 2 326.444 3.763 20 0 EHADLO Cc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000507201117 1023176532 /nfs/dbraw/zinc/17/65/32/1023176532.db2.gz DTEKVPHVZSRJCJ-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000507201117 1023176536 /nfs/dbraw/zinc/17/65/36/1023176536.db2.gz DTEKVPHVZSRJCJ-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO CCn1cc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cn1 ZINC000507207015 1023180872 /nfs/dbraw/zinc/18/08/72/1023180872.db2.gz CKPYTUOWYWFLFJ-FQEVSTJZSA-N 1 2 348.450 3.681 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000610675687 1023182370 /nfs/dbraw/zinc/18/23/70/1023182370.db2.gz GHBYUPVMOSKJJB-HNNXBMFYSA-N 1 2 333.478 3.825 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000610675687 1023182377 /nfs/dbraw/zinc/18/23/77/1023182377.db2.gz GHBYUPVMOSKJJB-HNNXBMFYSA-N 1 2 333.478 3.825 20 0 EHADLO CC[NH+]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000665071597 1023190703 /nfs/dbraw/zinc/19/07/03/1023190703.db2.gz VQROJHZWCUWPNP-UHFFFAOYSA-N 1 2 342.386 3.698 20 0 EHADLO CCc1oc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1C ZINC000130731186 1023205056 /nfs/dbraw/zinc/20/50/56/1023205056.db2.gz ODWPQWPUQSZRJM-UHFFFAOYSA-N 1 2 333.457 3.845 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1 ZINC000341743599 1023230701 /nfs/dbraw/zinc/23/07/01/1023230701.db2.gz LRCVXRVAUKLZMP-ZDUSSCGKSA-N 1 2 335.473 3.782 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2nccs2)cc1 ZINC000198457262 1033116710 /nfs/dbraw/zinc/11/67/10/1033116710.db2.gz LDPJTIQOYFIUNE-INIZCTEOSA-N 1 2 345.468 3.708 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2nccs2)cc1 ZINC000198457262 1033116716 /nfs/dbraw/zinc/11/67/16/1033116716.db2.gz LDPJTIQOYFIUNE-INIZCTEOSA-N 1 2 345.468 3.708 20 0 EHADLO Cn1ccnc1COc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000341752319 1023250827 /nfs/dbraw/zinc/25/08/27/1023250827.db2.gz WKZKBPVBFOHVCH-UHFFFAOYSA-N 1 2 349.425 3.866 20 0 EHADLO Cn1ccnc1COc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000341752319 1023250839 /nfs/dbraw/zinc/25/08/39/1023250839.db2.gz WKZKBPVBFOHVCH-UHFFFAOYSA-N 1 2 349.425 3.866 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3ccco3)o2)CC[C@@H]1C(F)(F)F ZINC000190199128 1023268498 /nfs/dbraw/zinc/26/84/98/1023268498.db2.gz OBBSMZIHGQMGSU-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccco3)o2)CC[C@@H]1C(F)(F)F ZINC000190199128 1023268504 /nfs/dbraw/zinc/26/85/04/1023268504.db2.gz OBBSMZIHGQMGSU-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000343295458 1023286548 /nfs/dbraw/zinc/28/65/48/1023286548.db2.gz KTKASXJVJJPQLU-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)n1 ZINC000190568042 1023304085 /nfs/dbraw/zinc/30/40/85/1023304085.db2.gz XOAWCLJORSATBA-AWEZNQCLSA-N 1 2 329.444 3.995 20 0 EHADLO Cc1cccc(NC2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000607399637 1033123740 /nfs/dbraw/zinc/12/37/40/1033123740.db2.gz CMSAYXKKDHVWCS-UHFFFAOYSA-N 1 2 349.438 3.751 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(O)c1 ZINC000341810567 1023352234 /nfs/dbraw/zinc/35/22/34/1023352234.db2.gz LHAYCAHOBYVNCS-LLVKDONJSA-N 1 2 335.363 3.638 20 0 EHADLO CCc1nc([C@@H]2CCCCN2c2cc(C)[nH+]c(C3CCC3)n2)no1 ZINC000891926771 1023422767 /nfs/dbraw/zinc/42/27/67/1023422767.db2.gz ZSFPKKHZZDQAES-AWEZNQCLSA-N 1 2 327.432 3.730 20 0 EHADLO Cc1noc(C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)c2ccccc2)n1 ZINC000276952290 1023460919 /nfs/dbraw/zinc/46/09/19/1023460919.db2.gz BWGFPRFOECRBTH-SFHVURJKSA-N 1 2 349.438 3.751 20 0 EHADLO CC(C)c1ccc(-c2nn(C[N@H+](C)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000176103207 1023474537 /nfs/dbraw/zinc/47/45/37/1023474537.db2.gz OJBKMIZDKFIXSW-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO CC(C)c1ccc(-c2nn(C[N@@H+](C)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000176103207 1023474542 /nfs/dbraw/zinc/47/45/42/1023474542.db2.gz OJBKMIZDKFIXSW-CQSZACIVSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000588469557 1023603527 /nfs/dbraw/zinc/60/35/27/1023603527.db2.gz ALHJVDUPJNJSIZ-WSNITJDQSA-N 1 2 332.494 3.728 20 0 EHADLO COCc1c(C(=O)Nc2cc(C)[nH+]cc2C)sc2cccc(F)c21 ZINC000535748162 1023604652 /nfs/dbraw/zinc/60/46/52/1023604652.db2.gz DWGBQALCCVGJLR-UHFFFAOYSA-N 1 2 344.411 3.873 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccnc1C(F)F ZINC000897755496 1033150896 /nfs/dbraw/zinc/15/08/96/1033150896.db2.gz LMXLODULJGJUAV-JOCQHMNTSA-N 1 2 346.381 3.567 20 0 EHADLO OCC1(C[N@H+](Cc2nccn2-c2ccccc2)Cc2ccccc2)CC1 ZINC000341956039 1023720387 /nfs/dbraw/zinc/72/03/87/1023720387.db2.gz SFWZFKKKDHNNJL-UHFFFAOYSA-N 1 2 347.462 3.647 20 0 EHADLO OCC1(C[N@@H+](Cc2nccn2-c2ccccc2)Cc2ccccc2)CC1 ZINC000341956039 1023720393 /nfs/dbraw/zinc/72/03/93/1023720393.db2.gz SFWZFKKKDHNNJL-UHFFFAOYSA-N 1 2 347.462 3.647 20 0 EHADLO CCc1nnc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)s1 ZINC000684620838 1023869041 /nfs/dbraw/zinc/86/90/41/1023869041.db2.gz DKCMYWQNBVYZSI-UHFFFAOYSA-N 1 2 341.484 3.596 20 0 EHADLO COCC[N@H+](Cn1ncn(-c2ccccc2C)c1=S)C1CCCC1 ZINC000065188422 1023874428 /nfs/dbraw/zinc/87/44/28/1023874428.db2.gz NITAAIAHMFQLIJ-UHFFFAOYSA-N 1 2 346.500 3.560 20 0 EHADLO COCC[N@@H+](Cn1ncn(-c2ccccc2C)c1=S)C1CCCC1 ZINC000065188422 1023874438 /nfs/dbraw/zinc/87/44/38/1023874438.db2.gz NITAAIAHMFQLIJ-UHFFFAOYSA-N 1 2 346.500 3.560 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967594 1023913836 /nfs/dbraw/zinc/91/38/36/1023913836.db2.gz JYZYOLUDXZCQAY-YLJYHZDGSA-N 1 2 349.434 3.657 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967594 1023913842 /nfs/dbraw/zinc/91/38/42/1023913842.db2.gz JYZYOLUDXZCQAY-YLJYHZDGSA-N 1 2 349.434 3.657 20 0 EHADLO Cc1noc(COc2ccc(NCc3c[nH+]c4ccc(C)cn34)cc2)n1 ZINC000157909781 1033173230 /nfs/dbraw/zinc/17/32/30/1033173230.db2.gz OLBXHYDTVSIZDK-UHFFFAOYSA-N 1 2 349.394 3.525 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884136 1023941042 /nfs/dbraw/zinc/94/10/42/1023941042.db2.gz BAHNMZWCKLDSFQ-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884136 1023941047 /nfs/dbraw/zinc/94/10/47/1023941047.db2.gz BAHNMZWCKLDSFQ-HZPDHXFCSA-N 1 2 338.854 3.921 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000508445515 1023958279 /nfs/dbraw/zinc/95/82/79/1023958279.db2.gz KOBIGUHLVPCAEC-MRXNPFEDSA-N 1 2 345.874 3.928 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)c(F)c1 ZINC000046468124 1033175931 /nfs/dbraw/zinc/17/59/31/1033175931.db2.gz MUCRLRGDFVGIQA-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO Cc1cc(F)cc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001143586001 1023966686 /nfs/dbraw/zinc/96/66/86/1023966686.db2.gz QOUYRWHOANAXOF-UHFFFAOYSA-N 1 2 334.435 3.719 20 0 EHADLO CSc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046469102 1033176322 /nfs/dbraw/zinc/17/63/22/1033176322.db2.gz WLDBEDALVMMAHR-OAHLLOKOSA-N 1 2 332.473 3.841 20 0 EHADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccc(OC)c(OC)c1 ZINC000343298767 1023987486 /nfs/dbraw/zinc/98/74/86/1023987486.db2.gz ZUXNTYIIJWDEHO-CQSZACIVSA-N 1 2 326.400 3.847 20 0 EHADLO CC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCCC1 ZINC000434390932 1023989331 /nfs/dbraw/zinc/98/93/31/1023989331.db2.gz ZKAFLBCSRJMIOU-QGZVFWFLSA-N 1 2 331.460 3.605 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000505417759 1024017838 /nfs/dbraw/zinc/01/78/38/1024017838.db2.gz YANNVKQWHHMCFS-UHFFFAOYSA-N 1 2 348.393 3.619 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)ccc1O ZINC000648067558 1024020345 /nfs/dbraw/zinc/02/03/45/1024020345.db2.gz MAZNRIRAJPAPLI-VLIAUNLRSA-N 1 2 345.414 3.892 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)ccc1O ZINC000648067558 1024020363 /nfs/dbraw/zinc/02/03/63/1024020363.db2.gz MAZNRIRAJPAPLI-VLIAUNLRSA-N 1 2 345.414 3.892 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000602802421 1033175397 /nfs/dbraw/zinc/17/53/97/1033175397.db2.gz RFLQQMRZEHZPDT-BZNIZROVSA-N 1 2 332.375 3.711 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C(=O)OC)co1)c1ccc(Cl)s1 ZINC000602801507 1033175519 /nfs/dbraw/zinc/17/55/19/1033175519.db2.gz FBULDNVXBDQFGK-DTWKUNHWSA-N 1 2 328.821 3.978 20 0 EHADLO CC(C)(c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000429679910 1024033698 /nfs/dbraw/zinc/03/36/98/1024033698.db2.gz GGRJTNOYAMVAGS-UHFFFAOYSA-N 1 2 340.349 3.545 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514000168 1024044701 /nfs/dbraw/zinc/04/47/01/1024044701.db2.gz VAZCGJYMOKLCRQ-XJKSGUPXSA-N 1 2 340.920 3.735 20 0 EHADLO CC(C)(CC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000474081860 1024054618 /nfs/dbraw/zinc/05/46/18/1024054618.db2.gz QINWYXONCVSOSL-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151239842 1024077632 /nfs/dbraw/zinc/07/76/32/1024077632.db2.gz DOIDBHJWNXOSBV-LBPRGKRZSA-N 1 2 345.493 3.563 20 0 EHADLO Cc1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400814 1024086707 /nfs/dbraw/zinc/08/67/07/1024086707.db2.gz RCLNOUMUDKLLOA-BDJLRTHQSA-N 1 2 335.835 3.538 20 0 EHADLO C[N@H+](Cc1cccc(F)c1Br)[C@@H](CO)c1ccccc1 ZINC000449448656 1024107530 /nfs/dbraw/zinc/10/75/30/1024107530.db2.gz AAAOPNLDUCZKOF-HNNXBMFYSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1cccc(F)c1Br)[C@@H](CO)c1ccccc1 ZINC000449448656 1024107536 /nfs/dbraw/zinc/10/75/36/1024107536.db2.gz AAAOPNLDUCZKOF-HNNXBMFYSA-N 1 2 338.220 3.754 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)Cc2ccccc2SC)s1 ZINC000602822654 1033191142 /nfs/dbraw/zinc/19/11/42/1033191142.db2.gz XHMWJNWUBDIVEZ-UHFFFAOYSA-N 1 2 336.482 3.674 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2ccccc2SC)s1 ZINC000602822654 1033191151 /nfs/dbraw/zinc/19/11/51/1033191151.db2.gz XHMWJNWUBDIVEZ-UHFFFAOYSA-N 1 2 336.482 3.674 20 0 EHADLO Cc1cc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895083118 1024123579 /nfs/dbraw/zinc/12/35/79/1024123579.db2.gz SNPDUPAFRSYALK-DGCLKSJQSA-N 1 2 329.366 3.599 20 0 EHADLO Cc1cc(N(C)[C@@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522648444 1024144233 /nfs/dbraw/zinc/14/42/33/1024144233.db2.gz LTMWZHPPCOKNHQ-LLVKDONJSA-N 1 2 326.318 3.667 20 0 EHADLO COc1ccccc1[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000170982096 1024149046 /nfs/dbraw/zinc/14/90/46/1024149046.db2.gz ZVSRRXCEFLQUTF-SFHVURJKSA-N 1 2 345.406 3.573 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(Br)ccc2F)s1 ZINC000230706434 1024187877 /nfs/dbraw/zinc/18/78/77/1024187877.db2.gz UMQSUEQCLICXBM-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCCC(C)(C)C3)cn2c1 ZINC000474101147 1024192085 /nfs/dbraw/zinc/19/20/85/1024192085.db2.gz VLDLXCRNUFQSOB-UHFFFAOYSA-N 1 2 345.512 3.915 20 0 EHADLO CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000459114875 1024192359 /nfs/dbraw/zinc/19/23/59/1024192359.db2.gz IRPYRCIMIIJIEG-INIZCTEOSA-N 1 2 341.455 4.000 20 0 EHADLO Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000342129769 1024197983 /nfs/dbraw/zinc/19/79/83/1024197983.db2.gz OCZGMTIGKIRFNN-AWEZNQCLSA-N 1 2 339.370 3.726 20 0 EHADLO O=C(NCC1CCC(c2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152362607 1024198530 /nfs/dbraw/zinc/19/85/30/1024198530.db2.gz OXBCTCVAJFZVDV-NKELODKYSA-N 1 2 337.467 3.536 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2OC)[nH]1 ZINC000277206192 1024204889 /nfs/dbraw/zinc/20/48/89/1024204889.db2.gz JVWNPAZHHGKFPC-RWMBFGLXSA-N 1 2 332.448 3.747 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000329828726 1024212550 /nfs/dbraw/zinc/21/25/50/1024212550.db2.gz JMDCXJPQLJJOBR-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000329828726 1024212567 /nfs/dbraw/zinc/21/25/67/1024212567.db2.gz JMDCXJPQLJJOBR-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000053076023 1024213111 /nfs/dbraw/zinc/21/31/11/1024213111.db2.gz UDDRKBGLWJTXDH-MRXNPFEDSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000053076023 1024213125 /nfs/dbraw/zinc/21/31/25/1024213125.db2.gz UDDRKBGLWJTXDH-MRXNPFEDSA-N 1 2 348.368 3.750 20 0 EHADLO Cc1cn2c(n1)[C@H](CNc1nc(C3CCCCC3)ns1)CCC2 ZINC000562928076 1033194524 /nfs/dbraw/zinc/19/45/24/1033194524.db2.gz SRJIMXPBOXFCHW-AWEZNQCLSA-N 1 2 331.489 3.502 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C3CCCCC3)ns1)CCC2 ZINC000562928076 1033194537 /nfs/dbraw/zinc/19/45/37/1033194537.db2.gz SRJIMXPBOXFCHW-AWEZNQCLSA-N 1 2 331.489 3.502 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000443634076 1024272099 /nfs/dbraw/zinc/27/20/99/1024272099.db2.gz XTOPRFMARXCLHD-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000443634076 1024272111 /nfs/dbraw/zinc/27/21/11/1024272111.db2.gz XTOPRFMARXCLHD-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO O=C(c1cc2c(s1)CCCC2)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505467544 1024288353 /nfs/dbraw/zinc/28/83/53/1024288353.db2.gz GPUQHLGADLLVAJ-MRXNPFEDSA-N 1 2 344.455 3.553 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4occc43)c[nH+]2)C[C@H](C)O1 ZINC000330057333 1024305785 /nfs/dbraw/zinc/30/57/85/1024305785.db2.gz XHXOAACCFOUPAB-VBQJREDUSA-N 1 2 327.428 3.778 20 0 EHADLO CCc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)sc1C ZINC000505477250 1024320916 /nfs/dbraw/zinc/32/09/16/1024320916.db2.gz SCVBWMKIHZLZDZ-INIZCTEOSA-N 1 2 332.444 3.545 20 0 EHADLO CN(Cc1ccc(N)[nH+]c1)c1nc(-c2cccs2)nc2ccccc21 ZINC000135983355 1024362228 /nfs/dbraw/zinc/36/22/28/1024362228.db2.gz LWRKQRIGWXWSFH-UHFFFAOYSA-N 1 2 347.447 3.972 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)c1)O[C@H](C)C2 ZINC000430103531 1024368846 /nfs/dbraw/zinc/36/88/46/1024368846.db2.gz ZJNIXDIHDHAVKB-VLIAUNLRSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(c(C[N@H+]3CC(C)(C)[C@@H]3c3cccnc3)c1)O[C@H](C)C2 ZINC000430103531 1024368862 /nfs/dbraw/zinc/36/88/62/1024368862.db2.gz ZJNIXDIHDHAVKB-VLIAUNLRSA-N 1 2 338.451 3.997 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1Cl ZINC000151668352 1024375612 /nfs/dbraw/zinc/37/56/12/1024375612.db2.gz BWPNCENLBZMVCD-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000425175999 1024401826 /nfs/dbraw/zinc/40/18/26/1024401826.db2.gz BYZTUIAABKLPLV-AQNXPRMDSA-N 1 2 345.446 3.679 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000505507589 1024411392 /nfs/dbraw/zinc/41/13/92/1024411392.db2.gz RQTUVNUPHLFTQH-UGSOOPFHSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c(C)c[nH+]1 ZINC000535772751 1024413822 /nfs/dbraw/zinc/41/38/22/1024413822.db2.gz RICKULOOLDERMV-GFCCVEGCSA-N 1 2 332.473 3.757 20 0 EHADLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000346147634 1024448783 /nfs/dbraw/zinc/44/87/83/1024448783.db2.gz HHYVSEFVWZXEDF-MRXNPFEDSA-N 1 2 340.389 3.853 20 0 EHADLO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000346147634 1024448791 /nfs/dbraw/zinc/44/87/91/1024448791.db2.gz HHYVSEFVWZXEDF-MRXNPFEDSA-N 1 2 340.389 3.853 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1OC(F)F ZINC000346153676 1024454767 /nfs/dbraw/zinc/45/47/67/1024454767.db2.gz QPDUUGOCAWZVEQ-OLZOCXBDSA-N 1 2 349.381 3.699 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000614656731 1024471549 /nfs/dbraw/zinc/47/15/49/1024471549.db2.gz FDQGYTDWOPPIAF-ZWKOTPCHSA-N 1 2 339.483 4.000 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CCN1CC(F)F ZINC000346172468 1024487790 /nfs/dbraw/zinc/48/77/90/1024487790.db2.gz TYGKJBSPCSGEEJ-HNNXBMFYSA-N 1 2 335.398 3.503 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CCN1CC(F)F ZINC000346172468 1024487797 /nfs/dbraw/zinc/48/77/97/1024487797.db2.gz TYGKJBSPCSGEEJ-HNNXBMFYSA-N 1 2 335.398 3.503 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(OCc2ccccc2)cc1 ZINC000052283211 1024511077 /nfs/dbraw/zinc/51/10/77/1024511077.db2.gz JJCUFPCHHQEIHE-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000342238175 1024511285 /nfs/dbraw/zinc/51/12/85/1024511285.db2.gz LHQOEWRTCZSYFM-PMACEKPBSA-N 1 2 345.446 3.948 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187584 1024513085 /nfs/dbraw/zinc/51/30/85/1024513085.db2.gz YKCDEGSOMOWSKM-CABCVRRESA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187584 1024513094 /nfs/dbraw/zinc/51/30/94/1024513094.db2.gz YKCDEGSOMOWSKM-CABCVRRESA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](CC(F)(F)F)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425255477 1024519703 /nfs/dbraw/zinc/51/97/03/1024519703.db2.gz MYNJDCXPTFWJGU-ZIAGYGMSSA-N 1 2 339.361 3.779 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccn(CCc3ccccc3)n2)cn1 ZINC000520728326 1024537747 /nfs/dbraw/zinc/53/77/47/1024537747.db2.gz IHLFNXLXAPUDHY-KRWDZBQOSA-N 1 2 337.471 3.754 20 0 EHADLO Cc1cccc2c1CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000425261902 1024540544 /nfs/dbraw/zinc/54/05/44/1024540544.db2.gz FOXGXBCVZPBPPT-IBGZPJMESA-N 1 2 345.446 3.825 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282356545 1024542670 /nfs/dbraw/zinc/54/26/70/1024542670.db2.gz CXVQZXNFQKLNMB-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282356545 1024542682 /nfs/dbraw/zinc/54/26/82/1024542682.db2.gz CXVQZXNFQKLNMB-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000346230820 1024544130 /nfs/dbraw/zinc/54/41/30/1024544130.db2.gz XFULUWAFPSBXOK-CQSZACIVSA-N 1 2 332.444 3.940 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)s1 ZINC000346230820 1024544136 /nfs/dbraw/zinc/54/41/36/1024544136.db2.gz XFULUWAFPSBXOK-CQSZACIVSA-N 1 2 332.444 3.940 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3c(F)cccc3C2)c(-c2cccs2)n1 ZINC000435037785 1024560542 /nfs/dbraw/zinc/56/05/42/1024560542.db2.gz YZKHJRUJCPLXCF-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3c(F)cccc3C2)c(-c2cccs2)n1 ZINC000435037785 1024560555 /nfs/dbraw/zinc/56/05/55/1024560555.db2.gz YZKHJRUJCPLXCF-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Fc1ccc(/C=C\C[NH2+]Cc2noc(-c3ccccc3F)n2)c(F)c1 ZINC000435028628 1024568781 /nfs/dbraw/zinc/56/87/81/1024568781.db2.gz JSWXOSNTTKIQHN-ARJAWSKDSA-N 1 2 345.324 3.957 20 0 EHADLO Cc1ccc(CN(Cc2c[nH+]cn2C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000435031730 1024570509 /nfs/dbraw/zinc/57/05/09/1024570509.db2.gz AJJCPSQSRNJVCN-UHFFFAOYSA-N 1 2 347.422 3.517 20 0 EHADLO Cc1sccc1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000346251679 1024573060 /nfs/dbraw/zinc/57/30/60/1024573060.db2.gz KVVBBUPELWNFLR-CYBMUJFWSA-N 1 2 334.510 3.566 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000669656623 1033221659 /nfs/dbraw/zinc/22/16/59/1033221659.db2.gz CVKLRQHXSJPBBF-HZPDHXFCSA-N 1 2 347.409 3.646 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C(F)F)c2)c1C ZINC000171479979 1024598715 /nfs/dbraw/zinc/59/87/15/1024598715.db2.gz LPURYHSBWQMIKZ-UHFFFAOYSA-N 1 2 334.366 3.917 20 0 EHADLO CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342260421 1024613899 /nfs/dbraw/zinc/61/38/99/1024613899.db2.gz UUDWPKHPQHCFAH-HNNXBMFYSA-N 1 2 344.827 3.784 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CC(C)(C)C(F)(F)F ZINC000281086111 1024641610 /nfs/dbraw/zinc/64/16/10/1024641610.db2.gz VRQCIPUELWSKDN-UHFFFAOYSA-N 1 2 333.398 3.663 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139554 1024647303 /nfs/dbraw/zinc/64/73/03/1024647303.db2.gz XIEILRIXEMXHFX-MFKMUULPSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000435139554 1024647308 /nfs/dbraw/zinc/64/73/08/1024647308.db2.gz XIEILRIXEMXHFX-MFKMUULPSA-N 1 2 342.386 3.986 20 0 EHADLO CC[C@@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)C ZINC000614674151 1024673572 /nfs/dbraw/zinc/67/35/72/1024673572.db2.gz OMUATZSDWYJGEE-INIZCTEOSA-N 1 2 337.533 3.680 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)cc1Cl ZINC000474284580 1024679388 /nfs/dbraw/zinc/67/93/88/1024679388.db2.gz NVTLYCQNYRGTFB-UHFFFAOYSA-N 1 2 348.899 3.976 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000281131369 1024681822 /nfs/dbraw/zinc/68/18/22/1024681822.db2.gz NKNIPKYRHVYDOK-SFHVURJKSA-N 1 2 329.444 3.647 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000281131369 1024681829 /nfs/dbraw/zinc/68/18/29/1024681829.db2.gz NKNIPKYRHVYDOK-SFHVURJKSA-N 1 2 329.444 3.647 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)[nH]1 ZINC000277335761 1024687598 /nfs/dbraw/zinc/68/75/98/1024687598.db2.gz USERKBANGADQPA-YNEHKIRRSA-N 1 2 329.448 3.688 20 0 EHADLO COc1cncc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885170 1024695258 /nfs/dbraw/zinc/69/52/58/1024695258.db2.gz LUWOFMSDSWKBCU-IRXDYDNUSA-N 1 2 336.395 3.696 20 0 EHADLO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333678423 1024700925 /nfs/dbraw/zinc/70/09/25/1024700925.db2.gz DUFPALQSHFQQMG-HOCLYGCPSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1NC(=O)C(C)(C)C ZINC000514733993 1024708160 /nfs/dbraw/zinc/70/81/60/1024708160.db2.gz WLYFTFDHRCYERQ-AWEZNQCLSA-N 1 2 342.443 3.766 20 0 EHADLO CC(C)[C@H]1N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1(C)C ZINC000425313356 1024732561 /nfs/dbraw/zinc/73/25/61/1024732561.db2.gz LMPOCWIECWPRKD-SJLPKXTDSA-N 1 2 325.456 3.825 20 0 EHADLO O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594176435 1033237299 /nfs/dbraw/zinc/23/72/99/1033237299.db2.gz GCQQKTIKUIRMHM-UHFFFAOYSA-N 1 2 342.398 3.556 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(F)F ZINC000895724224 1024769286 /nfs/dbraw/zinc/76/92/86/1024769286.db2.gz DBCIKPWLRAAFIY-BPNCWPANSA-N 1 2 347.247 3.828 20 0 EHADLO Cn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000346466063 1024779095 /nfs/dbraw/zinc/77/90/95/1024779095.db2.gz IBCLBSXZFGFDPY-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO Brc1cc(C[NH2+]Cc2noc3c2CCCC3)cs1 ZINC000342308807 1024795069 /nfs/dbraw/zinc/79/50/69/1024795069.db2.gz GQXPBPZYZQBWGM-UHFFFAOYSA-N 1 2 327.247 3.667 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000895760565 1024804449 /nfs/dbraw/zinc/80/44/49/1024804449.db2.gz GOYSTIRMKZSQPN-UHFFFAOYSA-N 1 2 344.415 3.584 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000761048987 1033235783 /nfs/dbraw/zinc/23/57/83/1033235783.db2.gz ZSJJMYKQLSEKKC-QMMMGPOBSA-N 1 2 341.160 3.816 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000761048987 1033235792 /nfs/dbraw/zinc/23/57/92/1033235792.db2.gz ZSJJMYKQLSEKKC-QMMMGPOBSA-N 1 2 341.160 3.816 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788324 1024836657 /nfs/dbraw/zinc/83/66/57/1024836657.db2.gz PNNOXPXXXSRPBB-CABZTGNLSA-N 1 2 341.299 3.603 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788324 1024836682 /nfs/dbraw/zinc/83/66/82/1024836682.db2.gz PNNOXPXXXSRPBB-CABZTGNLSA-N 1 2 341.299 3.603 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425357118 1024853672 /nfs/dbraw/zinc/85/36/72/1024853672.db2.gz XQMCKWTYEAFFMK-AWEZNQCLSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425357118 1024853683 /nfs/dbraw/zinc/85/36/83/1024853683.db2.gz XQMCKWTYEAFFMK-AWEZNQCLSA-N 1 2 344.768 3.787 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000425365326 1024867412 /nfs/dbraw/zinc/86/74/12/1024867412.db2.gz KHHABBWYRZHQFI-RTBURBONSA-N 1 2 345.874 3.960 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000425365326 1024867430 /nfs/dbraw/zinc/86/74/30/1024867430.db2.gz KHHABBWYRZHQFI-RTBURBONSA-N 1 2 345.874 3.960 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccco1 ZINC000607633347 1033241719 /nfs/dbraw/zinc/24/17/19/1033241719.db2.gz NVFSVTJBGKYLAP-STQMWFEESA-N 1 2 333.457 3.710 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccco1 ZINC000607633347 1033241731 /nfs/dbraw/zinc/24/17/31/1033241731.db2.gz NVFSVTJBGKYLAP-STQMWFEESA-N 1 2 333.457 3.710 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000353845796 1024880551 /nfs/dbraw/zinc/88/05/51/1024880551.db2.gz NPHPNOKMEXJHKN-GFCCVEGCSA-N 1 2 338.167 3.689 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000353845796 1024880556 /nfs/dbraw/zinc/88/05/56/1024880556.db2.gz NPHPNOKMEXJHKN-GFCCVEGCSA-N 1 2 338.167 3.689 20 0 EHADLO COC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000342326527 1024895139 /nfs/dbraw/zinc/89/51/39/1024895139.db2.gz KMEWKMGYJWXFOD-INIZCTEOSA-N 1 2 333.794 3.604 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000071953601 1024922124 /nfs/dbraw/zinc/92/21/24/1024922124.db2.gz BHLNRSBRTMBCIY-GFCCVEGCSA-N 1 2 329.271 3.826 20 0 EHADLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000071953601 1024922132 /nfs/dbraw/zinc/92/21/32/1024922132.db2.gz BHLNRSBRTMBCIY-GFCCVEGCSA-N 1 2 329.271 3.826 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428002765 1024923050 /nfs/dbraw/zinc/92/30/50/1024923050.db2.gz ZMILXVLHYARLGC-LJQANCHMSA-N 1 2 339.483 3.536 20 0 EHADLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1 ZINC000342334979 1024933815 /nfs/dbraw/zinc/93/38/15/1024933815.db2.gz MCGUBVKRKBNRCM-KRWDZBQOSA-N 1 2 349.434 3.722 20 0 EHADLO Fc1cccc([C@H]2C[C@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)c1 ZINC000435590547 1025022172 /nfs/dbraw/zinc/02/21/72/1025022172.db2.gz ZZCSCDCEONOACZ-KOMQPUFPSA-N 1 2 344.459 3.527 20 0 EHADLO Fc1cccc([C@H]2C[C@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)c1 ZINC000435590547 1025022178 /nfs/dbraw/zinc/02/21/78/1025022178.db2.gz ZZCSCDCEONOACZ-KOMQPUFPSA-N 1 2 344.459 3.527 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1 ZINC000032499434 1025046748 /nfs/dbraw/zinc/04/67/48/1025046748.db2.gz YAPCMDGNIROSDF-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000435659732 1025053485 /nfs/dbraw/zinc/05/34/85/1025053485.db2.gz NPUVIDXQGUZRAN-ZDUSSCGKSA-N 1 2 327.453 3.842 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346736629 1025069969 /nfs/dbraw/zinc/06/99/69/1025069969.db2.gz MCJJUANUOXWNFR-QRWLVFNGSA-N 1 2 331.419 3.595 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c[nH+]1 ZINC000896023190 1025084398 /nfs/dbraw/zinc/08/43/98/1025084398.db2.gz FXGAWWAOSXVFOL-UHFFFAOYSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)CCc2cccc3ccccc32)c[nH+]1 ZINC000896048567 1025099719 /nfs/dbraw/zinc/09/97/19/1025099719.db2.gz HPXZXIXQLKMSAD-UHFFFAOYSA-N 1 2 335.451 3.781 20 0 EHADLO Fc1ccc(C[N@H+](Cc2cn3cccnc3n2)C2CCCC2)c(F)c1 ZINC000346777050 1025114881 /nfs/dbraw/zinc/11/48/81/1025114881.db2.gz JMFPACOVOMVEIM-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2cn3cccnc3n2)C2CCCC2)c(F)c1 ZINC000346777050 1025114888 /nfs/dbraw/zinc/11/48/88/1025114888.db2.gz JMFPACOVOMVEIM-UHFFFAOYSA-N 1 2 342.393 3.952 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cc(NC(=O)N(C)C)ccc3C)n2c1 ZINC000435747156 1025121950 /nfs/dbraw/zinc/12/19/50/1025121950.db2.gz FBLRRMWRCGAOQW-UHFFFAOYSA-N 1 2 337.427 3.657 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120089150 1033260197 /nfs/dbraw/zinc/26/01/97/1033260197.db2.gz XYNOIVDAYDODCV-XLIONFOSSA-N 1 2 339.483 3.641 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCCC[C@@H]1c1nc3ccccc3o1)CCC2 ZINC000892162449 1025124383 /nfs/dbraw/zinc/12/43/83/1025124383.db2.gz ZTFOCBBHRZTMOK-QGZVFWFLSA-N 1 2 336.439 3.777 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCCC[C@@H]1c1nc3ccccc3o1)CCC2 ZINC000892162449 1025124387 /nfs/dbraw/zinc/12/43/87/1025124387.db2.gz ZTFOCBBHRZTMOK-QGZVFWFLSA-N 1 2 336.439 3.777 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC3(CCC3)c3c2cccc3F)c[nH+]1 ZINC000896076225 1025126770 /nfs/dbraw/zinc/12/67/70/1025126770.db2.gz WIWGDWHHMIACQK-UHFFFAOYSA-N 1 2 327.403 3.534 20 0 EHADLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435770127 1025130366 /nfs/dbraw/zinc/13/03/66/1025130366.db2.gz YRUPIEDGVSNNKN-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(O)ccc12)c1nccs1 ZINC000161124737 1025131182 /nfs/dbraw/zinc/13/11/82/1025131182.db2.gz SNIPDTVQUJVUHC-ZDUSSCGKSA-N 1 2 330.409 3.504 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000520973636 1025148760 /nfs/dbraw/zinc/14/87/60/1025148760.db2.gz ISSHCHFCKWWOCY-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000515333844 1025176366 /nfs/dbraw/zinc/17/63/66/1025176366.db2.gz DMAAHRNGUILSGT-PBHICJAKSA-N 1 2 342.439 3.928 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000515333844 1025176374 /nfs/dbraw/zinc/17/63/74/1025176374.db2.gz DMAAHRNGUILSGT-PBHICJAKSA-N 1 2 342.439 3.928 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1c(F)cccc1F ZINC000582075502 1025183494 /nfs/dbraw/zinc/18/34/94/1025183494.db2.gz BFHHOWKFWFUSHG-OAHLLOKOSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1c(F)cccc1F ZINC000582075502 1025183500 /nfs/dbraw/zinc/18/35/00/1025183500.db2.gz BFHHOWKFWFUSHG-OAHLLOKOSA-N 1 2 348.368 3.750 20 0 EHADLO COc1cc(Cl)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000431348063 1025196088 /nfs/dbraw/zinc/19/60/88/1025196088.db2.gz DKYVCAUDDIHEBJ-UHFFFAOYSA-N 1 2 345.761 3.926 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1c2c(nn1C)CCOC2 ZINC000892174914 1025197737 /nfs/dbraw/zinc/19/77/37/1025197737.db2.gz HRIYZBHYVKFYGE-CYBMUJFWSA-N 1 2 348.516 3.574 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1c2c(nn1C)CCOC2 ZINC000892174914 1025197745 /nfs/dbraw/zinc/19/77/45/1025197745.db2.gz HRIYZBHYVKFYGE-CYBMUJFWSA-N 1 2 348.516 3.574 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)o1 ZINC000628161438 1025200846 /nfs/dbraw/zinc/20/08/46/1025200846.db2.gz CZSXTUJGHPVXEA-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)o1 ZINC000628161438 1025200855 /nfs/dbraw/zinc/20/08/55/1025200855.db2.gz CZSXTUJGHPVXEA-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000046519039 1033266449 /nfs/dbraw/zinc/26/64/49/1033266449.db2.gz IMUNZPNOFSFAPL-UHFFFAOYSA-N 1 2 329.403 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000046519039 1033266458 /nfs/dbraw/zinc/26/64/58/1033266458.db2.gz IMUNZPNOFSFAPL-UHFFFAOYSA-N 1 2 329.403 3.782 20 0 EHADLO CCC[N@H+](Cc1ncnn1CCF)[C@@H](C)c1cc2ccccc2o1 ZINC000281552591 1025223086 /nfs/dbraw/zinc/22/30/86/1025223086.db2.gz ZCAXCAPKSFGLRX-AWEZNQCLSA-N 1 2 330.407 3.967 20 0 EHADLO CCC[N@@H+](Cc1ncnn1CCF)[C@@H](C)c1cc2ccccc2o1 ZINC000281552591 1025223095 /nfs/dbraw/zinc/22/30/95/1025223095.db2.gz ZCAXCAPKSFGLRX-AWEZNQCLSA-N 1 2 330.407 3.967 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000346843026 1025233086 /nfs/dbraw/zinc/23/30/86/1025233086.db2.gz KROJBHVQJHBLTO-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000346843026 1025233095 /nfs/dbraw/zinc/23/30/95/1025233095.db2.gz KROJBHVQJHBLTO-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)c3ccccc3)[nH]n2)cc1 ZINC000521182161 1025256291 /nfs/dbraw/zinc/25/62/91/1025256291.db2.gz DINJZDUUFPHYCC-UHFFFAOYSA-N 1 2 348.450 3.594 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CC2CCC1CC2 ZINC000563247540 1025259873 /nfs/dbraw/zinc/25/98/73/1025259873.db2.gz GZJJCQPOROPJKZ-ARAOSMHQSA-N 1 2 330.476 3.514 20 0 EHADLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(C)c1OC(F)F ZINC000107579302 1025268778 /nfs/dbraw/zinc/26/87/78/1025268778.db2.gz DDIGYKBOPOXZKU-UHFFFAOYSA-N 1 2 349.381 3.579 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)cs1 ZINC000602925645 1033271230 /nfs/dbraw/zinc/27/12/30/1033271230.db2.gz KMRPPUKHFQJTNX-KRWDZBQOSA-N 1 2 336.432 3.874 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C)c1ncc(Br)cn1 ZINC000346893578 1025291321 /nfs/dbraw/zinc/29/13/21/1025291321.db2.gz VGCUSZITXWGKLN-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)c1ncc(Br)cn1 ZINC000346893578 1025291334 /nfs/dbraw/zinc/29/13/34/1025291334.db2.gz VGCUSZITXWGKLN-LLVKDONJSA-N 1 2 338.224 3.961 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000346920274 1025294782 /nfs/dbraw/zinc/29/47/82/1025294782.db2.gz QPUYTBFMEISYFB-MSOLQXFVSA-N 1 2 349.519 3.525 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000346918184 1025312102 /nfs/dbraw/zinc/31/21/02/1025312102.db2.gz AAYKXYMRKYRFTG-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000346918184 1025312111 /nfs/dbraw/zinc/31/21/11/1025312111.db2.gz AAYKXYMRKYRFTG-NRFANRHFSA-N 1 2 343.430 3.962 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2ccc3c(c2)oc2ccccc23)n1 ZINC000346940692 1025316567 /nfs/dbraw/zinc/31/65/67/1025316567.db2.gz ODCWZQVYINOAJO-UHFFFAOYSA-N 1 2 330.347 3.960 20 0 EHADLO O=C(NC1(Cc2ccccc2)CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346957614 1025351595 /nfs/dbraw/zinc/35/15/95/1025351595.db2.gz AFXPWBYKNHMPBK-UHFFFAOYSA-N 1 2 345.446 3.827 20 0 EHADLO O=C(C[NH+]1C2CCC1CC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000515542550 1025355882 /nfs/dbraw/zinc/35/58/82/1025355882.db2.gz TXPZKZZUKZDPKT-UHFFFAOYSA-N 1 2 332.753 3.924 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)c1nc(C2CC2)no1 ZINC000425459423 1025361535 /nfs/dbraw/zinc/36/15/35/1025361535.db2.gz PBOCQSUKHQBFBD-GOSISDBHSA-N 1 2 349.438 3.891 20 0 EHADLO O[C@@H](C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccco1 ZINC000892196713 1025370879 /nfs/dbraw/zinc/37/08/79/1025370879.db2.gz YSSMFSHCRJGCTJ-SFHVURJKSA-N 1 2 337.423 3.547 20 0 EHADLO O[C@@H](C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccco1 ZINC000892196713 1025370897 /nfs/dbraw/zinc/37/08/97/1025370897.db2.gz YSSMFSHCRJGCTJ-SFHVURJKSA-N 1 2 337.423 3.547 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000347000703 1025377812 /nfs/dbraw/zinc/37/78/12/1025377812.db2.gz ZUUKGKLNKLCWQG-MRXNPFEDSA-N 1 2 345.512 3.865 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000158088049 1025393563 /nfs/dbraw/zinc/39/35/63/1025393563.db2.gz KJNMYACBSPZRFM-UHFFFAOYSA-N 1 2 330.453 3.585 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)ccn12 ZINC000521459438 1025395178 /nfs/dbraw/zinc/39/51/78/1025395178.db2.gz WQWKZFPXZGQZBU-BEFAXECRSA-N 1 2 333.435 3.969 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)ccn12 ZINC000521459440 1025395451 /nfs/dbraw/zinc/39/54/51/1025395451.db2.gz WQWKZFPXZGQZBU-HNAYVOBHSA-N 1 2 333.435 3.969 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000347007866 1025404720 /nfs/dbraw/zinc/40/47/20/1025404720.db2.gz HYXSGOQUSNIMRB-DLBZAZTESA-N 1 2 341.455 3.504 20 0 EHADLO CSc1c(F)cccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000436144549 1025414675 /nfs/dbraw/zinc/41/46/75/1025414675.db2.gz PVRNXLISUBJPBG-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO COC(=O)[C@@H](CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1)c1ccccc1 ZINC000425476969 1025417118 /nfs/dbraw/zinc/41/71/18/1025417118.db2.gz NRTUQKRKOTZHHK-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO COC(=O)[C@@H](CC[N@H+]1Cc2ccc(C(C)=O)cc2C1)c1ccccc1 ZINC000425476969 1025417125 /nfs/dbraw/zinc/41/71/25/1025417125.db2.gz NRTUQKRKOTZHHK-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO Cc1cncc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000442676146 1025418545 /nfs/dbraw/zinc/41/85/45/1025418545.db2.gz GUMOFURJUMMFSP-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036680 1025421321 /nfs/dbraw/zinc/42/13/21/1025421321.db2.gz RSFRDRCZDYLWFP-APWZRJJASA-N 1 2 343.492 3.561 20 0 EHADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036680 1025421332 /nfs/dbraw/zinc/42/13/32/1025421332.db2.gz RSFRDRCZDYLWFP-APWZRJJASA-N 1 2 343.492 3.561 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000521483939 1025426879 /nfs/dbraw/zinc/42/68/79/1025426879.db2.gz SPCPIQDOCYEQKC-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000521483939 1025426885 /nfs/dbraw/zinc/42/68/85/1025426885.db2.gz SPCPIQDOCYEQKC-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@H]2CCOc3ccccc32)no1)c1ccccc1 ZINC000521508906 1025431643 /nfs/dbraw/zinc/43/16/43/1025431643.db2.gz DNDXKRFGYRDEAC-WMZOPIPTSA-N 1 2 335.407 3.635 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+][C@@]3(CO)CCCc4ccccc43)o2)cc1 ZINC000281757210 1025445719 /nfs/dbraw/zinc/44/57/19/1025445719.db2.gz RLRUHZVTZLIRPK-JOCHJYFZSA-N 1 2 348.446 3.964 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CC45CCSCC5)n3)[nH+]c12 ZINC000521551923 1025456787 /nfs/dbraw/zinc/45/67/87/1025456787.db2.gz WCNFUZRNVHINTL-AWEZNQCLSA-N 1 2 340.452 3.617 20 0 EHADLO C[C@@]1(C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)COC(=O)N1 ZINC000896462494 1025468139 /nfs/dbraw/zinc/46/81/39/1025468139.db2.gz DJRVUNWGMYKVAI-AWEZNQCLSA-N 1 2 349.283 3.765 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000442807171 1025482367 /nfs/dbraw/zinc/48/23/67/1025482367.db2.gz DBUCUKKAXVKDPQ-UHFFFAOYSA-N 1 2 325.334 3.514 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474786294 1025483263 /nfs/dbraw/zinc/48/32/63/1025483263.db2.gz YYSNYMQYIJLPIH-SWLSCSKDSA-N 1 2 335.398 3.708 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000665454019 1025517902 /nfs/dbraw/zinc/51/79/02/1025517902.db2.gz ZUPNMDZICBKWCD-QGZVFWFLSA-N 1 2 330.476 3.733 20 0 EHADLO O=C(C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1)N1CCCCC1 ZINC000521617700 1025528892 /nfs/dbraw/zinc/52/88/92/1025528892.db2.gz ILXWJCDCVIWGIA-UHFFFAOYSA-N 1 2 341.430 3.603 20 0 EHADLO CCC1(CC)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000618671948 1025529516 /nfs/dbraw/zinc/52/95/16/1025529516.db2.gz YJCUPSSRWOMNQO-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000607718423 1033290690 /nfs/dbraw/zinc/29/06/90/1033290690.db2.gz CWROMSMTUDJNKA-MRXNPFEDSA-N 1 2 340.471 3.688 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000442887757 1025570480 /nfs/dbraw/zinc/57/04/80/1025570480.db2.gz YPKDXVHRVXEICM-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(Br)c3cccnc23)CCO1 ZINC000442887757 1025570486 /nfs/dbraw/zinc/57/04/86/1025570486.db2.gz YPKDXVHRVXEICM-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898021000 1033293062 /nfs/dbraw/zinc/29/30/62/1033293062.db2.gz QHOXTPJJBIQZSI-UHFFFAOYSA-N 1 2 349.356 3.891 20 0 EHADLO COc1cccc(C)c1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530310291 1025633471 /nfs/dbraw/zinc/63/34/71/1025633471.db2.gz SOVIDUHBTDBDCN-ZDUSSCGKSA-N 1 2 327.428 3.594 20 0 EHADLO COc1cccc(C)c1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530310291 1025633478 /nfs/dbraw/zinc/63/34/78/1025633478.db2.gz SOVIDUHBTDBDCN-ZDUSSCGKSA-N 1 2 327.428 3.594 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200662 1025642566 /nfs/dbraw/zinc/64/25/66/1025642566.db2.gz NVGVAGDXFQMSKO-GUYCJALGSA-N 1 2 329.831 3.757 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200662 1025642571 /nfs/dbraw/zinc/64/25/71/1025642571.db2.gz NVGVAGDXFQMSKO-GUYCJALGSA-N 1 2 329.831 3.757 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)sc2nc(C)nc(C)c12 ZINC000783674077 1025647936 /nfs/dbraw/zinc/64/79/36/1025647936.db2.gz SWEMJSVILHPUMB-CYBMUJFWSA-N 1 2 327.457 3.677 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)sc2nc(C)nc(C)c12 ZINC000783674077 1025647942 /nfs/dbraw/zinc/64/79/42/1025647942.db2.gz SWEMJSVILHPUMB-CYBMUJFWSA-N 1 2 327.457 3.677 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OCC ZINC000277525318 1025666597 /nfs/dbraw/zinc/66/65/97/1025666597.db2.gz XUOSWGDIRVAFRL-KGLIPLIRSA-N 1 2 346.475 3.966 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2cc3cc(C)ccc3o2)c1Br ZINC000582252455 1025690991 /nfs/dbraw/zinc/69/09/91/1025690991.db2.gz HOMTWLOZLDHRJT-UHFFFAOYSA-N 1 2 348.244 3.835 20 0 EHADLO C/C(=C/c1ccccc1)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000436414812 1025692546 /nfs/dbraw/zinc/69/25/46/1025692546.db2.gz PVYNWIHNLUQVGK-YBEGLDIGSA-N 1 2 336.414 3.659 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612915 1025710171 /nfs/dbraw/zinc/71/01/71/1025710171.db2.gz LLBHHAWUKHXIQF-WCQYABFASA-N 1 2 343.349 3.751 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612915 1025710185 /nfs/dbraw/zinc/71/01/85/1025710185.db2.gz LLBHHAWUKHXIQF-WCQYABFASA-N 1 2 343.349 3.751 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CC[C@H](COc4ccccc4)C3)n2)cc1 ZINC000505818911 1025721171 /nfs/dbraw/zinc/72/11/71/1025721171.db2.gz LABXWOPPJPSMRC-SFHVURJKSA-N 1 2 349.434 3.561 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)n2)cc1 ZINC000505818911 1025721184 /nfs/dbraw/zinc/72/11/84/1025721184.db2.gz LABXWOPPJPSMRC-SFHVURJKSA-N 1 2 349.434 3.561 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc([S@@](C)=O)cc1 ZINC000342470743 1025721310 /nfs/dbraw/zinc/72/13/10/1025721310.db2.gz IKGLDYQEQSVAOM-SFDCACGMSA-N 1 2 346.477 3.991 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329293085 1025729514 /nfs/dbraw/zinc/72/95/14/1025729514.db2.gz BCWKGIPZZIYQCR-GFCCVEGCSA-N 1 2 333.819 3.563 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCOCC2(CC2)C1 ZINC000329293085 1025729527 /nfs/dbraw/zinc/72/95/27/1025729527.db2.gz BCWKGIPZZIYQCR-GFCCVEGCSA-N 1 2 333.819 3.563 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3cccc(OC4CC4)c3F)nc2c1 ZINC000657382356 1025735264 /nfs/dbraw/zinc/73/52/64/1025735264.db2.gz KBSIMNUKOCJWDZ-UHFFFAOYSA-N 1 2 325.387 3.841 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cccc(OC4CC4)c3F)[nH]c2c1 ZINC000657382356 1025735279 /nfs/dbraw/zinc/73/52/79/1025735279.db2.gz KBSIMNUKOCJWDZ-UHFFFAOYSA-N 1 2 325.387 3.841 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000425554595 1025737882 /nfs/dbraw/zinc/73/78/82/1025737882.db2.gz OSIVMQBCPNOZMX-CQSZACIVSA-N 1 2 346.418 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000425554595 1025737896 /nfs/dbraw/zinc/73/78/96/1025737896.db2.gz OSIVMQBCPNOZMX-CQSZACIVSA-N 1 2 346.418 3.943 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)s1 ZINC000347248899 1025742237 /nfs/dbraw/zinc/74/22/37/1025742237.db2.gz FTLSODBIVFMXOM-ZDUSSCGKSA-N 1 2 335.904 3.984 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CCSCC1 ZINC000474875690 1025743848 /nfs/dbraw/zinc/74/38/48/1025743848.db2.gz BRVSAESXUJRABD-ZNMIVQPWSA-N 1 2 335.517 3.639 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482734 1025760032 /nfs/dbraw/zinc/76/00/32/1025760032.db2.gz BGEAIZPGXPHNCT-SYNHAJSKSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482734 1025760041 /nfs/dbraw/zinc/76/00/41/1025760041.db2.gz BGEAIZPGXPHNCT-SYNHAJSKSA-N 1 2 345.870 3.705 20 0 EHADLO Cc1ccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000443154351 1025769461 /nfs/dbraw/zinc/76/94/61/1025769461.db2.gz FUVCJPWKGBDULK-UHFFFAOYSA-N 1 2 349.887 3.890 20 0 EHADLO Cc1ccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000443154351 1025769473 /nfs/dbraw/zinc/76/94/73/1025769473.db2.gz FUVCJPWKGBDULK-UHFFFAOYSA-N 1 2 349.887 3.890 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)s1 ZINC000466952371 1025779959 /nfs/dbraw/zinc/77/99/59/1025779959.db2.gz FEHBMRFLLZMPLF-WMLDXEAASA-N 1 2 345.464 3.805 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)s1 ZINC000466952371 1025779975 /nfs/dbraw/zinc/77/99/75/1025779975.db2.gz FEHBMRFLLZMPLF-WMLDXEAASA-N 1 2 345.464 3.805 20 0 EHADLO Cc1cc(N[C@@H](CO)c2ccccc2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000896651640 1025804742 /nfs/dbraw/zinc/80/47/42/1025804742.db2.gz NYSSLLLGGZAAFT-AWEZNQCLSA-N 1 2 337.345 3.827 20 0 EHADLO CCNc1nc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cs1 ZINC001167562715 1025821545 /nfs/dbraw/zinc/82/15/45/1025821545.db2.gz PPROWFCJLYGYFD-MRXNPFEDSA-N 1 2 344.528 3.902 20 0 EHADLO CCNc1nc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cs1 ZINC001167562715 1025821564 /nfs/dbraw/zinc/82/15/64/1025821564.db2.gz PPROWFCJLYGYFD-MRXNPFEDSA-N 1 2 344.528 3.902 20 0 EHADLO CCCCN(C)c1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000522865117 1025843780 /nfs/dbraw/zinc/84/37/80/1025843780.db2.gz RAYFJLZVFYCQNM-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]nc1-c1ccccc1Cl ZINC000684820955 1025855240 /nfs/dbraw/zinc/85/52/40/1025855240.db2.gz IVJJLBFWZJTOKT-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO Cc1cncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000277546887 1025861013 /nfs/dbraw/zinc/86/10/13/1025861013.db2.gz IVZZZQRDHWFQEQ-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO C[C@H](Cc1ccsc1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000324459935 1025888801 /nfs/dbraw/zinc/88/88/01/1025888801.db2.gz CJUNWNATKPVRBP-CYBMUJFWSA-N 1 2 335.436 3.920 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1C ZINC000443328700 1025915420 /nfs/dbraw/zinc/91/54/20/1025915420.db2.gz JXXBZXMDZFKNLA-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1C ZINC000443328700 1025915429 /nfs/dbraw/zinc/91/54/29/1025915429.db2.gz JXXBZXMDZFKNLA-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO COc1cccc2sc(NCc3cc(-n4cc[nH+]c4)cs3)nc21 ZINC000342499996 1025916736 /nfs/dbraw/zinc/91/67/36/1025916736.db2.gz PQNWEJTXLSJGRO-UHFFFAOYSA-N 1 2 342.449 3.586 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842502 1025918524 /nfs/dbraw/zinc/91/85/24/1025918524.db2.gz IQKHXHPWRMWHHX-RWMBFGLXSA-N 1 2 342.405 3.714 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842502 1025918538 /nfs/dbraw/zinc/91/85/38/1025918538.db2.gz IQKHXHPWRMWHHX-RWMBFGLXSA-N 1 2 342.405 3.714 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C[C@H]3C)nc(N)c2c1C ZINC000451402204 1025931968 /nfs/dbraw/zinc/93/19/68/1025931968.db2.gz ATDXYLRUZDZUDA-LDYMZIIASA-N 1 2 342.365 3.585 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C[C@H]3C)nc(N)c2c1C ZINC000451402204 1025931978 /nfs/dbraw/zinc/93/19/78/1025931978.db2.gz ATDXYLRUZDZUDA-LDYMZIIASA-N 1 2 342.365 3.585 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@H](CNc3ccc(Cl)cc3)C2)s1 ZINC000896734564 1025938858 /nfs/dbraw/zinc/93/88/58/1025938858.db2.gz SWERNJYUSPXYSP-CYBMUJFWSA-N 1 2 336.892 3.824 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@H](CNc3ccc(Cl)cc3)C2)s1 ZINC000896734564 1025938870 /nfs/dbraw/zinc/93/88/70/1025938870.db2.gz SWERNJYUSPXYSP-CYBMUJFWSA-N 1 2 336.892 3.824 20 0 EHADLO C[N@H+](Cc1cc(F)c(Br)cc1F)C1CC(F)(F)C1 ZINC001141910672 1025961179 /nfs/dbraw/zinc/96/11/79/1025961179.db2.gz VLNNZTQZIREQPH-UHFFFAOYSA-N 1 2 326.131 3.957 20 0 EHADLO C[N@@H+](Cc1cc(F)c(Br)cc1F)C1CC(F)(F)C1 ZINC001141910672 1025961190 /nfs/dbraw/zinc/96/11/90/1025961190.db2.gz VLNNZTQZIREQPH-UHFFFAOYSA-N 1 2 326.131 3.957 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522480764 1025963933 /nfs/dbraw/zinc/96/39/33/1025963933.db2.gz KPPDWICEFVRUFB-UHFFFAOYSA-N 1 2 328.460 3.696 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(C(F)F)C3)cs2)cc1 ZINC000451437398 1025989662 /nfs/dbraw/zinc/98/96/62/1025989662.db2.gz LOVCEBLHFXHMIV-QGZVFWFLSA-N 1 2 338.423 3.574 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+]3CC[C@](O)(C(F)F)C3)cs2)cc1 ZINC000451437398 1025989674 /nfs/dbraw/zinc/98/96/74/1025989674.db2.gz LOVCEBLHFXHMIV-QGZVFWFLSA-N 1 2 338.423 3.574 20 0 EHADLO Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000530550326 1026034366 /nfs/dbraw/zinc/03/43/66/1026034366.db2.gz VFIKTJSXEZRFCO-UHFFFAOYSA-N 1 2 340.358 3.513 20 0 EHADLO Fc1cc(C[NH+]2CCC3(CCCO3)CC2)c(F)cc1Br ZINC001141915520 1026035054 /nfs/dbraw/zinc/03/50/54/1026035054.db2.gz FUMSMGNFUWZLNA-UHFFFAOYSA-N 1 2 346.215 3.872 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000024049827 1026059224 /nfs/dbraw/zinc/05/92/24/1026059224.db2.gz ICSYHNTVBAUGAI-LBPRGKRZSA-N 1 2 327.334 3.642 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000121976645 1026066621 /nfs/dbraw/zinc/06/66/21/1026066621.db2.gz XXPCKNXZCDEKJC-DOHHPOSVSA-N 1 2 330.472 3.671 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000121976645 1026066632 /nfs/dbraw/zinc/06/66/32/1026066632.db2.gz XXPCKNXZCDEKJC-DOHHPOSVSA-N 1 2 330.472 3.671 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)Cc2ccsc2)c1 ZINC000530569433 1026068208 /nfs/dbraw/zinc/06/82/08/1026068208.db2.gz YIPAVUCHKZNVAR-AWEZNQCLSA-N 1 2 325.437 3.603 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(F)ccc1O ZINC000436726495 1026076190 /nfs/dbraw/zinc/07/61/90/1026076190.db2.gz YJGLEAUKALCCEU-UHFFFAOYSA-N 1 2 349.431 3.616 20 0 EHADLO CO[C@@H](CC(C)C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820412 1026082021 /nfs/dbraw/zinc/08/20/21/1026082021.db2.gz DWUSVUMABCQIRR-INIZCTEOSA-N 1 2 326.400 3.580 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(Br)cc(C)n2)[nH+]c1C ZINC000895193997 1026089302 /nfs/dbraw/zinc/08/93/02/1026089302.db2.gz AJWKXHGWKHNINR-CYBMUJFWSA-N 1 2 335.249 3.834 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000277574497 1026091213 /nfs/dbraw/zinc/09/12/13/1026091213.db2.gz OBNBZMPUDFTIBB-ROUUACIJSA-N 1 2 343.446 3.627 20 0 EHADLO ClC1(Cl)C[C@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896824667 1026098156 /nfs/dbraw/zinc/09/81/56/1026098156.db2.gz BTVWZVUIVSMPDQ-LBPRGKRZSA-N 1 2 335.194 3.507 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938497 1026127275 /nfs/dbraw/zinc/12/72/75/1026127275.db2.gz PRZIRHIIAZBSTC-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938497 1026127281 /nfs/dbraw/zinc/12/72/81/1026127281.db2.gz PRZIRHIIAZBSTC-UHFFFAOYSA-N 1 2 347.466 3.579 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000516208353 1026138540 /nfs/dbraw/zinc/13/85/40/1026138540.db2.gz OGPSBOZHMFQZJG-QAPCUYQASA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374533571 1026173598 /nfs/dbraw/zinc/17/35/98/1026173598.db2.gz AUPLIVDXSOPYKU-AUUYWEPGSA-N 1 2 338.386 3.763 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374533571 1026173607 /nfs/dbraw/zinc/17/36/07/1026173607.db2.gz AUPLIVDXSOPYKU-AUUYWEPGSA-N 1 2 338.386 3.763 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000122108869 1026242571 /nfs/dbraw/zinc/24/25/71/1026242571.db2.gz MZFHKFUVWWKSDV-VNHYZAJKSA-N 1 2 337.533 3.511 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000122108869 1026242581 /nfs/dbraw/zinc/24/25/81/1026242581.db2.gz MZFHKFUVWWKSDV-VNHYZAJKSA-N 1 2 337.533 3.511 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2CCN(Cc3ccccc3)C[C@H](C)C2)o1 ZINC000451717397 1026250841 /nfs/dbraw/zinc/25/08/41/1026250841.db2.gz ZKMXGVIAMOMHDD-KRWDZBQOSA-N 1 2 341.499 3.889 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2CCN(Cc3ccccc3)C[C@H](C)C2)o1 ZINC000451717397 1026250853 /nfs/dbraw/zinc/25/08/53/1026250853.db2.gz ZKMXGVIAMOMHDD-KRWDZBQOSA-N 1 2 341.499 3.889 20 0 EHADLO Cc1noc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000122182658 1026262647 /nfs/dbraw/zinc/26/26/47/1026262647.db2.gz MFWFJYSFXOWRAJ-KRWDZBQOSA-N 1 2 329.350 3.730 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2F)s1 ZINC000122181865 1026263703 /nfs/dbraw/zinc/26/37/03/1026263703.db2.gz HJSPKZPQALDMKF-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2F)s1 ZINC000122181865 1026263709 /nfs/dbraw/zinc/26/37/09/1026263709.db2.gz HJSPKZPQALDMKF-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451801885 1026290561 /nfs/dbraw/zinc/29/05/61/1026290561.db2.gz RJIFOVCQNYZHGM-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451801885 1026290570 /nfs/dbraw/zinc/29/05/70/1026290570.db2.gz RJIFOVCQNYZHGM-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475189208 1026313080 /nfs/dbraw/zinc/31/30/80/1026313080.db2.gz HXLOBTGVUFMRCA-UYAOXDASSA-N 1 2 343.515 3.589 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842234 1026320498 /nfs/dbraw/zinc/32/04/98/1026320498.db2.gz QWHWJGGWADSWHR-RHSMWYFYSA-N 1 2 344.480 3.616 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842234 1026320509 /nfs/dbraw/zinc/32/05/09/1026320509.db2.gz QWHWJGGWADSWHR-RHSMWYFYSA-N 1 2 344.480 3.616 20 0 EHADLO Fc1cccc(F)c1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032431 1026325644 /nfs/dbraw/zinc/32/56/44/1026325644.db2.gz KYXJESWKCPFQHA-AWEZNQCLSA-N 1 2 331.410 3.877 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC000511137132 1026397845 /nfs/dbraw/zinc/39/78/45/1026397845.db2.gz BSLWSXDZZYYWAF-AWEZNQCLSA-N 1 2 329.444 3.654 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000530915122 1026416737 /nfs/dbraw/zinc/41/67/37/1026416737.db2.gz QRBHHHNHETVAAY-UHFFFAOYSA-N 1 2 335.835 3.536 20 0 EHADLO COC[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000452035153 1026451015 /nfs/dbraw/zinc/45/10/15/1026451015.db2.gz GABKBOUFGOFFRV-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO COC[C@@H]1CCCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000452035153 1026451020 /nfs/dbraw/zinc/45/10/20/1026451020.db2.gz GABKBOUFGOFFRV-ZDUSSCGKSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)Cc1ccoc1 ZINC000342637392 1026533456 /nfs/dbraw/zinc/53/34/56/1026533456.db2.gz SMBSCTZRRUNYHM-UONOGXRCSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)Cc1ccoc1 ZINC000342637392 1026533459 /nfs/dbraw/zinc/53/34/59/1026533459.db2.gz SMBSCTZRRUNYHM-UONOGXRCSA-N 1 2 326.396 3.724 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000342636877 1026541121 /nfs/dbraw/zinc/54/11/21/1026541121.db2.gz SHSIHEANFFYHIN-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000342636877 1026541126 /nfs/dbraw/zinc/54/11/26/1026541126.db2.gz SHSIHEANFFYHIN-ZDUSSCGKSA-N 1 2 344.402 3.935 20 0 EHADLO COCc1cnc(C[NH+]2CCC(OCCc3ccccc3)CC2)s1 ZINC000342640786 1026541870 /nfs/dbraw/zinc/54/18/70/1026541870.db2.gz UPVFGKOIORCREL-UHFFFAOYSA-N 1 2 346.496 3.513 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582555728 1026579562 /nfs/dbraw/zinc/57/95/62/1026579562.db2.gz PZWFSARLAIAYCF-GJZGRUSLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582555728 1026579574 /nfs/dbraw/zinc/57/95/74/1026579574.db2.gz PZWFSARLAIAYCF-GJZGRUSLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(Br)cc1 ZINC000639561989 1026589914 /nfs/dbraw/zinc/58/99/14/1026589914.db2.gz RBFFHUQREWEWBU-SNVBAGLBSA-N 1 2 336.233 3.950 20 0 EHADLO COc1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1C ZINC000475436230 1026628497 /nfs/dbraw/zinc/62/84/97/1026628497.db2.gz ZHWIIXAAQARETK-HZPDHXFCSA-N 1 2 341.455 3.624 20 0 EHADLO O=C(/C=C/C=C(Cl)Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897366969 1026656280 /nfs/dbraw/zinc/65/62/80/1026656280.db2.gz WJBNUGSCAWEGIA-ORCRQEGFSA-N 1 2 342.270 3.777 20 0 EHADLO Cc1cccc(OCCCCC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452334442 1026666678 /nfs/dbraw/zinc/66/66/78/1026666678.db2.gz MVMSVAOTZVJMIV-UHFFFAOYSA-N 1 2 327.428 3.716 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCCC1(F)F)C2 ZINC000452315902 1026677466 /nfs/dbraw/zinc/67/74/66/1026677466.db2.gz WIFTYIIANABHLN-OLZOCXBDSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCCC1(F)F)CC2 ZINC000452315902 1026677472 /nfs/dbraw/zinc/67/74/72/1026677472.db2.gz WIFTYIIANABHLN-OLZOCXBDSA-N 1 2 339.430 3.580 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)c1 ZINC000152769873 1026702240 /nfs/dbraw/zinc/70/22/40/1026702240.db2.gz RJVUHGYDZUCANR-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000611643690 1026728279 /nfs/dbraw/zinc/72/82/79/1026728279.db2.gz NYIHGUYGQBNLCA-IPMKNSEASA-N 1 2 341.499 3.583 20 0 EHADLO Cc1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cnc1Cl ZINC001213161285 1026731335 /nfs/dbraw/zinc/73/13/35/1026731335.db2.gz LVSKWBPWSVLLQV-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000301440085 1026807773 /nfs/dbraw/zinc/80/77/73/1026807773.db2.gz LXTWKGHAHGTSFX-LBPRGKRZSA-N 1 2 336.892 3.637 20 0 EHADLO COC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000301456322 1026813425 /nfs/dbraw/zinc/81/34/25/1026813425.db2.gz YVJQQPREENTIEX-SFHVURJKSA-N 1 2 345.406 3.615 20 0 EHADLO COc1ncc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000342716691 1026818516 /nfs/dbraw/zinc/81/85/16/1026818516.db2.gz XJYVFSWNXIMWTR-GFCCVEGCSA-N 1 2 332.835 3.912 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)C[C@@H]1CCOC1 ZINC000301562857 1026855663 /nfs/dbraw/zinc/85/56/63/1026855663.db2.gz IWLMDGMOHOYZEX-HNNXBMFYSA-N 1 2 342.439 3.501 20 0 EHADLO Cc1ccc(NC(=O)CNc2cc(C)[nH+]c(C(C)C)n2)c(Cl)c1 ZINC000301628019 1026881645 /nfs/dbraw/zinc/88/16/45/1026881645.db2.gz HXPNBPNGKGZUOU-UHFFFAOYSA-N 1 2 332.835 3.921 20 0 EHADLO Cc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)c(O[C@H]2CCOC2)c1 ZINC000301638679 1026885145 /nfs/dbraw/zinc/88/51/45/1026885145.db2.gz MJFUVNPDZPUTNR-KRWDZBQOSA-N 1 2 341.455 3.997 20 0 EHADLO Cc1cccc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)ncnc12 ZINC000301715773 1026912144 /nfs/dbraw/zinc/91/21/44/1026912144.db2.gz XEXZMBCVWIPEKW-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO Cc1cc(C)cc(C2=N/C(=C/c3cc(-n4cc[nH+]c4)cs3)C(=O)O2)c1 ZINC000783685418 1026920417 /nfs/dbraw/zinc/92/04/17/1026920417.db2.gz XJERUQWZXIBXRM-RQZCQDPDSA-N 1 2 349.415 3.895 20 0 EHADLO CCCOc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1OC ZINC000301785939 1026937021 /nfs/dbraw/zinc/93/70/21/1026937021.db2.gz OWBMRNCSTQCXBT-UHFFFAOYSA-N 1 2 338.411 3.622 20 0 EHADLO C[C@H]1CCN(C(=O)CC2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000626092641 1026941136 /nfs/dbraw/zinc/94/11/36/1026941136.db2.gz BBPJHUPFGFJZRD-ZFWWWQNUSA-N 1 2 325.403 3.508 20 0 EHADLO CN(C)c1cccc([C@@H]2CCCN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000301835082 1026957924 /nfs/dbraw/zinc/95/79/24/1026957924.db2.gz WDOPQTOHRHKDSF-SFHVURJKSA-N 1 2 333.439 3.620 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666003271 1026962866 /nfs/dbraw/zinc/96/28/66/1026962866.db2.gz BJPXRNAGKBAGBD-KXBFYZLASA-N 1 2 345.487 3.636 20 0 EHADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000301858053 1026968004 /nfs/dbraw/zinc/96/80/04/1026968004.db2.gz DPTBZEYIDZFEIB-CYBMUJFWSA-N 1 2 347.422 3.512 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000301867805 1026971547 /nfs/dbraw/zinc/97/15/47/1026971547.db2.gz NUAIMEPXDIEULQ-OAHLLOKOSA-N 1 2 342.491 3.538 20 0 EHADLO Nc1nc(NCc2ccc(Br)c(F)c2)[nH+]c2ccccc12 ZINC000301900625 1026987087 /nfs/dbraw/zinc/98/70/87/1026987087.db2.gz ZHLGPJKKTQQLQO-UHFFFAOYSA-N 1 2 347.191 3.726 20 0 EHADLO Cc1cccc(OC[C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301905077 1026988453 /nfs/dbraw/zinc/98/84/53/1026988453.db2.gz YMIPIPPYXJVLDQ-AWEZNQCLSA-N 1 2 339.443 3.769 20 0 EHADLO Cc1cccc([C@H]2CCCN2c2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000301915882 1026993734 /nfs/dbraw/zinc/99/37/34/1026993734.db2.gz IUZAJVZGMGZSBN-MRXNPFEDSA-N 1 2 336.443 3.626 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301927986 1026998828 /nfs/dbraw/zinc/99/88/28/1026998828.db2.gz NHPBRZPWNZTGHQ-UONOGXRCSA-N 1 2 331.464 3.587 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000277808849 1027002847 /nfs/dbraw/zinc/00/28/47/1027002847.db2.gz YDUZGXIPJLZTCM-PSLXWICFSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000277808849 1027002852 /nfs/dbraw/zinc/00/28/52/1027002852.db2.gz YDUZGXIPJLZTCM-PSLXWICFSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1nc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C)c(C)[nH+]1 ZINC000301982149 1027013832 /nfs/dbraw/zinc/01/38/32/1027013832.db2.gz AFUIVVBPJVSPTO-QGZVFWFLSA-N 1 2 348.454 3.571 20 0 EHADLO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(NC2CC2)[nH+]cn1 ZINC000665696254 1027051965 /nfs/dbraw/zinc/05/19/65/1027051965.db2.gz CABVWFFUUVACAN-JXFKEZNVSA-N 1 2 338.455 3.655 20 0 EHADLO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(NC2CC2)nc[nH+]1 ZINC000665696254 1027051974 /nfs/dbraw/zinc/05/19/74/1027051974.db2.gz CABVWFFUUVACAN-JXFKEZNVSA-N 1 2 338.455 3.655 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000302181751 1027081107 /nfs/dbraw/zinc/08/11/07/1027081107.db2.gz QYGQQJJRFPHCSJ-RDTXWAMCSA-N 1 2 340.423 3.781 20 0 EHADLO Cc1ccc([C@H]2CCN(c3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000302190852 1027084188 /nfs/dbraw/zinc/08/41/88/1027084188.db2.gz VNNKPJGKSBBOAO-INIZCTEOSA-N 1 2 335.455 3.884 20 0 EHADLO Cc1cccn2c(CNc3cccc(C(=O)N4CCCC4)c3C)c[nH+]c12 ZINC000125651515 1027105614 /nfs/dbraw/zinc/10/56/14/1027105614.db2.gz DDXOSMBKWUSKST-UHFFFAOYSA-N 1 2 348.450 3.799 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000501192015 1027125546 /nfs/dbraw/zinc/12/55/46/1027125546.db2.gz NIBUBIPVJGCXKM-MSOLQXFVSA-N 1 2 343.515 3.589 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)[nH+]c12 ZINC000075390041 1027126249 /nfs/dbraw/zinc/12/62/49/1027126249.db2.gz RPPBGUBNZOMTGP-YOEHRIQHSA-N 1 2 337.423 3.778 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000531642733 1027135985 /nfs/dbraw/zinc/13/59/85/1027135985.db2.gz BRXPUYWQFWEMBO-INIZCTEOSA-N 1 2 344.455 3.768 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000531642733 1027135991 /nfs/dbraw/zinc/13/59/91/1027135991.db2.gz BRXPUYWQFWEMBO-INIZCTEOSA-N 1 2 344.455 3.768 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075533794 1027145512 /nfs/dbraw/zinc/14/55/12/1027145512.db2.gz KJTQYTRCHCMFBC-GOSISDBHSA-N 1 2 325.456 3.837 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000272849756 1027145834 /nfs/dbraw/zinc/14/58/34/1027145834.db2.gz SLRSKGKYHKCQJM-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO CC(C)Oc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075534435 1027147005 /nfs/dbraw/zinc/14/70/05/1027147005.db2.gz ZITRMRHLBIMGNO-JEJOPICUSA-N 1 2 339.439 3.616 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000075552402 1027167362 /nfs/dbraw/zinc/16/73/62/1027167362.db2.gz ICCSZWJVJPEUAR-OAHLLOKOSA-N 1 2 341.430 3.767 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552502 1027169153 /nfs/dbraw/zinc/16/91/53/1027169153.db2.gz ZVKVNVUYGZFKFP-CYBMUJFWSA-N 1 2 347.846 3.627 20 0 EHADLO C[NH+](C)[C@H](CNc1nc(C(C)(C)C)ns1)c1c(F)cccc1F ZINC000302497885 1027170580 /nfs/dbraw/zinc/17/05/80/1027170580.db2.gz KPVNUKOQBHFJBS-GFCCVEGCSA-N 1 2 340.443 3.829 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554852 1027171022 /nfs/dbraw/zinc/17/10/22/1027171022.db2.gz ZVBTXOKSTHRFQS-CQSZACIVSA-N 1 2 348.450 3.790 20 0 EHADLO C[N@H+](Cc1csc(-c2ccco2)n1)[C@@H](CCO)c1ccccc1 ZINC000075899604 1027207604 /nfs/dbraw/zinc/20/76/04/1027207604.db2.gz PEHWOAUFEZXGGK-INIZCTEOSA-N 1 2 328.437 3.959 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccco2)n1)[C@@H](CCO)c1ccccc1 ZINC000075899604 1027207620 /nfs/dbraw/zinc/20/76/20/1027207620.db2.gz PEHWOAUFEZXGGK-INIZCTEOSA-N 1 2 328.437 3.959 20 0 EHADLO COc1ccc(CN(C)c2c(C)c[nH+]c3c(OC)cccc32)cc1O ZINC000302618654 1027213187 /nfs/dbraw/zinc/21/31/87/1027213187.db2.gz GJYVUNSKICTNHL-UHFFFAOYSA-N 1 2 338.407 3.902 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126551462 1027214358 /nfs/dbraw/zinc/21/43/58/1027214358.db2.gz YHRHDLAQHVOGIZ-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126551462 1027214378 /nfs/dbraw/zinc/21/43/78/1027214378.db2.gz YHRHDLAQHVOGIZ-FQEVSTJZSA-N 1 2 327.424 3.753 20 0 EHADLO Brc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000302660046 1027227250 /nfs/dbraw/zinc/22/72/50/1027227250.db2.gz LLWCBVJXMJBJJK-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000076053944 1027232015 /nfs/dbraw/zinc/23/20/15/1027232015.db2.gz YVFFUFZFUCSTEG-NVXWUHKLSA-N 1 2 344.434 3.835 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000531736039 1027259585 /nfs/dbraw/zinc/25/95/85/1027259585.db2.gz QDOLLDBNRPURHX-GDBMZVCRSA-N 1 2 328.460 3.904 20 0 EHADLO Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccc(F)c(F)c2n1 ZINC000302740024 1027266185 /nfs/dbraw/zinc/26/61/85/1027266185.db2.gz QWDASNLVGVSQJO-AWEZNQCLSA-N 1 2 341.361 3.874 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000531724665 1027270918 /nfs/dbraw/zinc/27/09/18/1027270918.db2.gz QLUXLVFDDGIRLJ-IBGZPJMESA-N 1 2 347.842 3.888 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000531724665 1027270931 /nfs/dbraw/zinc/27/09/31/1027270931.db2.gz QLUXLVFDDGIRLJ-IBGZPJMESA-N 1 2 347.842 3.888 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCSC[C@H](C)C1 ZINC000302764958 1027281191 /nfs/dbraw/zinc/28/11/91/1027281191.db2.gz ZFGDSIMUAPVIGV-CYBMUJFWSA-N 1 2 330.453 3.601 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000302778232 1027285385 /nfs/dbraw/zinc/28/53/85/1027285385.db2.gz GSTZSEBGJJGAPH-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(OC(F)F)cc1 ZINC000302778232 1027285402 /nfs/dbraw/zinc/28/54/02/1027285402.db2.gz GSTZSEBGJJGAPH-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO CCc1ncc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000414438218 1027294467 /nfs/dbraw/zinc/29/44/67/1027294467.db2.gz VDQUQCHCHJCKDX-UHFFFAOYSA-N 1 2 329.394 3.997 20 0 EHADLO Oc1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cc1F ZINC000501457586 1027299543 /nfs/dbraw/zinc/29/95/43/1027299543.db2.gz XSYCCMXAIZMMSW-UHFFFAOYSA-N 1 2 346.146 3.862 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(OC)cc1 ZINC000302812471 1027306149 /nfs/dbraw/zinc/30/61/49/1027306149.db2.gz ZHHDSYNNKNVBHU-INIZCTEOSA-N 1 2 344.484 3.602 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(OC)cc1 ZINC000302812471 1027306171 /nfs/dbraw/zinc/30/61/71/1027306171.db2.gz ZHHDSYNNKNVBHU-INIZCTEOSA-N 1 2 344.484 3.602 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)ccn12 ZINC000582734696 1027310523 /nfs/dbraw/zinc/31/05/23/1027310523.db2.gz RCZJSSCNPFPYJC-IBGZPJMESA-N 1 2 348.450 3.686 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@H](C)n4ncnc43)s2)cc1C ZINC000657567959 1027316670 /nfs/dbraw/zinc/31/66/70/1027316670.db2.gz AHOTVHAGXHUFLC-XJKSGUPXSA-N 1 2 339.468 3.814 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302850679 1027326931 /nfs/dbraw/zinc/32/69/31/1027326931.db2.gz PTCCYBOUGNIMMD-IRXDYDNUSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302850679 1027326952 /nfs/dbraw/zinc/32/69/52/1027326952.db2.gz PTCCYBOUGNIMMD-IRXDYDNUSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605993 1027328097 /nfs/dbraw/zinc/32/80/97/1027328097.db2.gz VRIDWOGYPBNLGG-QGZVFWFLSA-N 1 2 348.450 3.800 20 0 EHADLO O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127617911 1027334523 /nfs/dbraw/zinc/33/45/23/1027334523.db2.gz VKJWJQOWYBERQD-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO CCS[C@H]1CCC[C@@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302878257 1027340019 /nfs/dbraw/zinc/34/00/19/1027340019.db2.gz GJFMDYATTSGPLX-KGLIPLIRSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@H]1CCC[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302878257 1027340035 /nfs/dbraw/zinc/34/00/35/1027340035.db2.gz GJFMDYATTSGPLX-KGLIPLIRSA-N 1 2 338.546 3.506 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000302899363 1027353120 /nfs/dbraw/zinc/35/31/20/1027353120.db2.gz QDKFZOFGEOTQHP-HOCLYGCPSA-N 1 2 326.419 3.598 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000302899363 1027353127 /nfs/dbraw/zinc/35/31/27/1027353127.db2.gz QDKFZOFGEOTQHP-HOCLYGCPSA-N 1 2 326.419 3.598 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446155 1027398349 /nfs/dbraw/zinc/39/83/49/1027398349.db2.gz OCMHJQDNHZTFDJ-ZBFHGGJFSA-N 1 2 349.521 3.838 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000414446155 1027398363 /nfs/dbraw/zinc/39/83/63/1027398363.db2.gz OCMHJQDNHZTFDJ-ZBFHGGJFSA-N 1 2 349.521 3.838 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000128274006 1027413322 /nfs/dbraw/zinc/41/33/22/1027413322.db2.gz CSISEUXYYZAYRJ-UHFFFAOYSA-N 1 2 340.427 3.933 20 0 EHADLO c1cn(-c2ccc(-c3noc(-c4ccnc(C5CC5)c4)n3)cc2)c[nH+]1 ZINC001213212234 1027423028 /nfs/dbraw/zinc/42/30/28/1027423028.db2.gz JNSWQUAWLPZHQQ-UHFFFAOYSA-N 1 2 329.363 3.862 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000077529730 1027425025 /nfs/dbraw/zinc/42/50/25/1027425025.db2.gz FFKGMORZCFQCFR-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273480009 1027449643 /nfs/dbraw/zinc/44/96/43/1027449643.db2.gz QIRPTPGPWXAXHV-LJQANCHMSA-N 1 2 340.471 3.796 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000077797621 1027476787 /nfs/dbraw/zinc/47/67/87/1027476787.db2.gz ALUXUBZVPCQEJA-SJORKVTESA-N 1 2 346.519 3.685 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1C ZINC000128798946 1027478793 /nfs/dbraw/zinc/47/87/93/1027478793.db2.gz FGYIPKDZHHVIPC-INIZCTEOSA-N 1 2 328.481 3.884 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12)c1nc(C)cs1 ZINC000273543382 1027486243 /nfs/dbraw/zinc/48/62/43/1027486243.db2.gz WBQPQEXNFWRVJC-BXUZGUMPSA-N 1 2 328.441 3.640 20 0 EHADLO Clc1ccccc1-c1ccc(C[NH+]2CC(n3ccnn3)C2)s1 ZINC000501739729 1027498732 /nfs/dbraw/zinc/49/87/32/1027498732.db2.gz DCKSFKVVJLJZQN-UHFFFAOYSA-N 1 2 330.844 3.717 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943456 1027510322 /nfs/dbraw/zinc/51/03/22/1027510322.db2.gz PATGJJOOEIGKBO-AWEZNQCLSA-N 1 2 344.484 3.515 20 0 EHADLO Cc1cccc2c(CC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c[nH]c21 ZINC000078115413 1027530003 /nfs/dbraw/zinc/53/00/03/1027530003.db2.gz BPZULSGRSONWDT-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO CC(C)CC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000664252042 1027537214 /nfs/dbraw/zinc/53/72/14/1027537214.db2.gz GIWIWXLXUKDWMD-KRWDZBQOSA-N 1 2 340.471 3.582 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CCN(Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342837950 1027567000 /nfs/dbraw/zinc/56/70/00/1027567000.db2.gz NIZMBWJVAPWFND-SFHVURJKSA-N 1 2 331.341 3.683 20 0 EHADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047489851 1027582072 /nfs/dbraw/zinc/58/20/72/1027582072.db2.gz VVMWUWNPHUKEMS-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000475542907 1027594890 /nfs/dbraw/zinc/59/48/90/1027594890.db2.gz AUKGLCWYWJGBCF-OAHLLOKOSA-N 1 2 343.320 3.856 20 0 EHADLO CC[N@H+](Cc1nc(COc2cccc(Cl)c2Cl)no1)C1CC1 ZINC000420521360 1027599071 /nfs/dbraw/zinc/59/90/71/1027599071.db2.gz CTZUNFXITCZELD-UHFFFAOYSA-N 1 2 342.226 3.940 20 0 EHADLO CC[N@@H+](Cc1nc(COc2cccc(Cl)c2Cl)no1)C1CC1 ZINC000420521360 1027599076 /nfs/dbraw/zinc/59/90/76/1027599076.db2.gz CTZUNFXITCZELD-UHFFFAOYSA-N 1 2 342.226 3.940 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000078288013 1027613720 /nfs/dbraw/zinc/61/37/20/1027613720.db2.gz ACHMAZQSFULCKT-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000582765295 1027620189 /nfs/dbraw/zinc/62/01/89/1027620189.db2.gz DEGMQDYXBXOEHP-SNVBAGLBSA-N 1 2 326.227 3.990 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000582765295 1027620193 /nfs/dbraw/zinc/62/01/93/1027620193.db2.gz DEGMQDYXBXOEHP-SNVBAGLBSA-N 1 2 326.227 3.990 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1cccc(OC)c1 ZINC000657610962 1027621636 /nfs/dbraw/zinc/62/16/36/1027621636.db2.gz GZMGECMXSCZCQD-MRXNPFEDSA-N 1 2 334.485 3.927 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422202338 1027634642 /nfs/dbraw/zinc/63/46/42/1027634642.db2.gz HLHDFDUQOXDKAJ-INIZCTEOSA-N 1 2 329.469 3.979 20 0 EHADLO CC(C)c1ccc(CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C2CC2)cc1 ZINC000130434288 1027670213 /nfs/dbraw/zinc/67/02/13/1027670213.db2.gz YMNGBSFNSRWGCR-SFHVURJKSA-N 1 2 337.467 3.760 20 0 EHADLO CCCC[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000503292548 1027705241 /nfs/dbraw/zinc/70/52/41/1027705241.db2.gz TUTKXTUZKRTLPK-RBUKOAKNSA-N 1 2 346.515 3.562 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000934651088 1027729183 /nfs/dbraw/zinc/72/91/83/1027729183.db2.gz CTKUNFXTRVOVLB-GUYCJALGSA-N 1 2 339.439 3.954 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccccc2C(F)(F)F)cc(C)[nH+]1 ZINC000420785096 1027732220 /nfs/dbraw/zinc/73/22/20/1027732220.db2.gz YDPJKVDTOFABTH-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO CC(C)(C)OC(=O)C1(NCc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000533379460 1027744351 /nfs/dbraw/zinc/74/43/51/1027744351.db2.gz LMUDKMYAMWTIMS-UHFFFAOYSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCSc3ccccc32)c[nH+]1 ZINC000454243416 1027763702 /nfs/dbraw/zinc/76/37/02/1027763702.db2.gz OSFQRXXEOCHIJB-MRXNPFEDSA-N 1 2 327.453 3.735 20 0 EHADLO Cc1cc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc(C)[nH+]1 ZINC000420837161 1027769205 /nfs/dbraw/zinc/76/92/05/1027769205.db2.gz BGHROZIGRQURIT-KRWDZBQOSA-N 1 2 325.412 3.728 20 0 EHADLO O=C(c1cc(F)c2ccccc2c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342871123 1027776647 /nfs/dbraw/zinc/77/66/47/1027776647.db2.gz CJRDVHITYAODHB-KRWDZBQOSA-N 1 2 336.366 3.667 20 0 EHADLO CSc1cccc(F)c1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420863336 1027781160 /nfs/dbraw/zinc/78/11/60/1027781160.db2.gz LKWWODZQXJOYPH-UHFFFAOYSA-N 1 2 333.432 3.559 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420840264 1027784010 /nfs/dbraw/zinc/78/40/10/1027784010.db2.gz AMTAATGFICHZNA-IBGZPJMESA-N 1 2 339.439 3.754 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3c(Cl)cccc3C2)cc(C)[nH+]1 ZINC000420853773 1027797367 /nfs/dbraw/zinc/79/73/67/1027797367.db2.gz UVLRGKJSUBKBFJ-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3c(Cl)cc(F)cc3C2)cc(C)[nH+]1 ZINC000420855051 1027800034 /nfs/dbraw/zinc/80/00/34/1027800034.db2.gz VVUVZSOAISPXCX-UHFFFAOYSA-N 1 2 347.821 3.759 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342872684 1027803142 /nfs/dbraw/zinc/80/31/42/1027803142.db2.gz OYECZJUCKYPWSL-UHFFFAOYSA-N 1 2 349.409 3.863 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000078454689 1027846103 /nfs/dbraw/zinc/84/61/03/1027846103.db2.gz RABPRKQUULJSAC-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO CC[C@@]1(C)Oc2ccc(NC(=O)NCc3c[nH+]c(C)cc3C)cc2O1 ZINC000455220297 1027847787 /nfs/dbraw/zinc/84/77/87/1027847787.db2.gz DETACGRLZGVLJQ-IBGZPJMESA-N 1 2 341.411 3.918 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H](O)C1CCCCCCC1 ZINC001625981264 1027849147 /nfs/dbraw/zinc/84/91/47/1027849147.db2.gz GMNORNFURXZJQR-KRWDZBQOSA-N 1 2 327.428 3.737 20 0 EHADLO COc1ccccc1CN1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001203425950 1027901234 /nfs/dbraw/zinc/90/12/34/1027901234.db2.gz VCHHJRQSFRKFQO-MRXNPFEDSA-N 1 2 328.431 3.541 20 0 EHADLO COc1ccccc1CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001203425950 1027901251 /nfs/dbraw/zinc/90/12/51/1027901251.db2.gz VCHHJRQSFRKFQO-MRXNPFEDSA-N 1 2 328.431 3.541 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)nnc1-c1ccccc1 ZINC000420948405 1027909209 /nfs/dbraw/zinc/90/92/09/1027909209.db2.gz NVODCENQFJQFCI-ZDUSSCGKSA-N 1 2 338.377 3.647 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)nnc1-c1ccccc1 ZINC000420948405 1027909223 /nfs/dbraw/zinc/90/92/23/1027909223.db2.gz NVODCENQFJQFCI-ZDUSSCGKSA-N 1 2 338.377 3.647 20 0 EHADLO CCCCOc1cccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000536619479 1027911766 /nfs/dbraw/zinc/91/17/66/1027911766.db2.gz IQQIWQWQUFUBHH-UHFFFAOYSA-N 1 2 327.428 3.621 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)Nc3cc(C)[nH+]cc3C)nc2c1 ZINC000536619653 1027916097 /nfs/dbraw/zinc/91/60/97/1027916097.db2.gz UIMRBWLMHPSPGD-SFHVURJKSA-N 1 2 349.438 3.674 20 0 EHADLO Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cc(C)[nH+]cc3C)[nH]c2c1 ZINC000536619653 1027916114 /nfs/dbraw/zinc/91/61/14/1027916114.db2.gz UIMRBWLMHPSPGD-SFHVURJKSA-N 1 2 349.438 3.674 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956041 1027920382 /nfs/dbraw/zinc/92/03/82/1027920382.db2.gz YSZJCYYWMGYELL-KDOFPFPSSA-N 1 2 347.842 3.646 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956041 1027920398 /nfs/dbraw/zinc/92/03/98/1027920398.db2.gz YSZJCYYWMGYELL-KDOFPFPSSA-N 1 2 347.842 3.646 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@@H](CC)O1 ZINC000420966462 1027936302 /nfs/dbraw/zinc/93/63/02/1027936302.db2.gz ZWWWPIJCEUKTTN-KZNAEPCWSA-N 1 2 332.488 3.828 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)c(C)c[nH+]1 ZINC000536619972 1027949755 /nfs/dbraw/zinc/94/97/55/1027949755.db2.gz JALCVBCPCXRIHZ-UHFFFAOYSA-N 1 2 327.403 3.704 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC000418097412 1027953733 /nfs/dbraw/zinc/95/37/33/1027953733.db2.gz NPGMJSPJKKUFNJ-AWEZNQCLSA-N 1 2 338.423 3.775 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC000418097412 1027953756 /nfs/dbraw/zinc/95/37/56/1027953756.db2.gz NPGMJSPJKKUFNJ-AWEZNQCLSA-N 1 2 338.423 3.775 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000132732528 1027959279 /nfs/dbraw/zinc/95/92/79/1027959279.db2.gz ZLRXEUKPXNUJLI-WLYUNCDWSA-N 1 2 339.480 3.581 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000132732528 1027959285 /nfs/dbraw/zinc/95/92/85/1027959285.db2.gz ZLRXEUKPXNUJLI-WLYUNCDWSA-N 1 2 339.480 3.581 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(F)cc2OC(F)F)cc(C)[nH+]1 ZINC000421063267 1028044959 /nfs/dbraw/zinc/04/49/59/1028044959.db2.gz NSHFCCFWLRGRSS-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421118915 1028104259 /nfs/dbraw/zinc/10/42/59/1028104259.db2.gz KRNKKSQGXUPYHC-LLVKDONJSA-N 1 2 326.322 3.531 20 0 EHADLO CCOc1cccc(/C=C\c2nc(C[NH2+]C)no2)c1OC1CCCC1 ZINC000414501051 1028117453 /nfs/dbraw/zinc/11/74/53/1028117453.db2.gz MTWMXJPKRYBQRY-QXMHVHEDSA-N 1 2 343.427 3.680 20 0 EHADLO Fc1ccc(CC2C[NH+](Cc3nccn3-c3ccccc3)C2)cc1F ZINC000444659269 1028123742 /nfs/dbraw/zinc/12/37/42/1028123742.db2.gz CVPUHAIILDVIDM-UHFFFAOYSA-N 1 2 339.389 3.825 20 0 EHADLO CCCCOc1ccc(/C=C/c2nc(C[NH2+]C)no2)cc1OCC ZINC000414501402 1028124428 /nfs/dbraw/zinc/12/44/28/1028124428.db2.gz NIPISYGWQDRBME-CSKARUKUSA-N 1 2 331.416 3.537 20 0 EHADLO Cc1cc(-c2noc(CCn3cc[nH+]c3)n2)cc(C)c1Br ZINC000277957754 1028136791 /nfs/dbraw/zinc/13/67/91/1028136791.db2.gz RJTMAGLVGLVMIS-UHFFFAOYSA-N 1 2 347.216 3.555 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CCc1ccc2ccccc2c1)c1ccco1 ZINC000444673820 1028146106 /nfs/dbraw/zinc/14/61/06/1028146106.db2.gz JGRUOBLZQDDSIK-FQEVSTJZSA-N 1 2 349.430 3.949 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CCc1ccc2ccccc2c1)c1ccco1 ZINC000444673820 1028146109 /nfs/dbraw/zinc/14/61/09/1028146109.db2.gz JGRUOBLZQDDSIK-FQEVSTJZSA-N 1 2 349.430 3.949 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135204806 1028177535 /nfs/dbraw/zinc/17/75/35/1028177535.db2.gz YDFKJVAYZDFURU-QGZVFWFLSA-N 1 2 349.409 3.716 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710534 1028189868 /nfs/dbraw/zinc/18/98/68/1028189868.db2.gz VMOFCUXWYSCSMM-CYBMUJFWSA-N 1 2 332.394 3.986 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710534 1028189884 /nfs/dbraw/zinc/18/98/84/1028189884.db2.gz VMOFCUXWYSCSMM-CYBMUJFWSA-N 1 2 332.394 3.986 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000135589122 1028205638 /nfs/dbraw/zinc/20/56/38/1028205638.db2.gz BMPXYUNTXFNWPG-AWEZNQCLSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000135589122 1028205652 /nfs/dbraw/zinc/20/56/52/1028205652.db2.gz BMPXYUNTXFNWPG-AWEZNQCLSA-N 1 2 328.441 3.646 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135562657 1028205935 /nfs/dbraw/zinc/20/59/35/1028205935.db2.gz LXYMTJLQEQVDSR-JKSUJKDBSA-N 1 2 338.542 3.897 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135562657 1028205953 /nfs/dbraw/zinc/20/59/53/1028205953.db2.gz LXYMTJLQEQVDSR-JKSUJKDBSA-N 1 2 338.542 3.897 20 0 EHADLO Cc1cnc([C@@H](C)SCc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000421223915 1028208807 /nfs/dbraw/zinc/20/88/07/1028208807.db2.gz KCMYYIBZPKZIMC-MRXNPFEDSA-N 1 2 343.496 3.612 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000503923694 1028211577 /nfs/dbraw/zinc/21/15/77/1028211577.db2.gz DPXIJTZUJLKJBA-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000503923694 1028211597 /nfs/dbraw/zinc/21/15/97/1028211597.db2.gz DPXIJTZUJLKJBA-FQEVSTJZSA-N 1 2 329.415 3.970 20 0 EHADLO CCOC1CC(CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000421231909 1028214517 /nfs/dbraw/zinc/21/45/17/1028214517.db2.gz XUMZALRPZIDNQC-UHFFFAOYSA-N 1 2 335.513 3.567 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCOCc2ccccc2)c(C)[nH+]1 ZINC000455494961 1028227452 /nfs/dbraw/zinc/22/74/52/1028227452.db2.gz NQUVLFNJIHPFTQ-UHFFFAOYSA-N 1 2 327.428 3.687 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000455494084 1028227566 /nfs/dbraw/zinc/22/75/66/1028227566.db2.gz MQNFDESZNNKMGB-HKUYNNGSSA-N 1 2 339.439 3.906 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153575373 1028242268 /nfs/dbraw/zinc/24/22/68/1028242268.db2.gz FLZCVAHLUNZCED-BEFAXECRSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1cc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)ccc1OC(C)C ZINC000423227829 1028292956 /nfs/dbraw/zinc/29/29/56/1028292956.db2.gz XFQZBPIPNOTOAI-KRWDZBQOSA-N 1 2 334.366 3.699 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)c3ccc(F)cc3)ccc2[nH+]1 ZINC000523424832 1028295009 /nfs/dbraw/zinc/29/50/09/1028295009.db2.gz QVBDETSLHSIBTH-LBPRGKRZSA-N 1 2 326.375 3.707 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)cc1OC ZINC000421335240 1028302853 /nfs/dbraw/zinc/30/28/53/1028302853.db2.gz RXMVWDKWMHEUCF-LLVKDONJSA-N 1 2 337.851 3.640 20 0 EHADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195633359 1028305409 /nfs/dbraw/zinc/30/54/09/1028305409.db2.gz WDHVHLOHPDLLDN-KRWDZBQOSA-N 1 2 349.434 3.686 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)nn1C ZINC000421378631 1028336588 /nfs/dbraw/zinc/33/65/88/1028336588.db2.gz HPZCPWJJJBTQKZ-GOSISDBHSA-N 1 2 347.890 3.766 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)ccc2[nH+]1 ZINC000523459026 1028346097 /nfs/dbraw/zinc/34/60/97/1028346097.db2.gz KAGMKNDVUYWEGR-UHFFFAOYSA-N 1 2 343.452 3.642 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1cc(F)ccc1Br ZINC000729674889 1028349756 /nfs/dbraw/zinc/34/97/56/1028349756.db2.gz SLNUUSJXVYALHG-UHFFFAOYSA-N 1 2 337.192 3.829 20 0 EHADLO COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]3C(F)F)CC2)c1 ZINC000353186144 1028350785 /nfs/dbraw/zinc/35/07/85/1028350785.db2.gz VJZHXFOOPJPAKE-INIZCTEOSA-N 1 2 325.399 3.722 20 0 EHADLO COCc1cccc(OCC2(C[N@H+]3CCC[C@H]3C(F)F)CC2)c1 ZINC000353186144 1028350801 /nfs/dbraw/zinc/35/08/01/1028350801.db2.gz VJZHXFOOPJPAKE-INIZCTEOSA-N 1 2 325.399 3.722 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H](C)CC)CC2)s1 ZINC000523472463 1028353592 /nfs/dbraw/zinc/35/35/92/1028353592.db2.gz RXGHCHUAPHSEFS-HUUCEWRRSA-N 1 2 337.533 3.572 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1Cl ZINC000067403447 1028363953 /nfs/dbraw/zinc/36/39/53/1028363953.db2.gz LLXXZFZEFKIVML-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CCCc1nc(C)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)o1 ZINC000428381455 1028375998 /nfs/dbraw/zinc/37/59/98/1028375998.db2.gz MQCUBFMOCIRPGP-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)o1 ZINC000428381455 1028376018 /nfs/dbraw/zinc/37/60/18/1028376018.db2.gz MQCUBFMOCIRPGP-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3C(C)C)cn2c1 ZINC000139053272 1028382061 /nfs/dbraw/zinc/38/20/61/1028382061.db2.gz GWFASZFOZAXJQH-MRXNPFEDSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000444972919 1028434124 /nfs/dbraw/zinc/43/41/24/1028434124.db2.gz CEMMZRBEAOGRRU-UHFFFAOYSA-N 1 2 349.438 3.793 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(C(F)(F)F)ccc1F)C2 ZINC000897334165 1028462363 /nfs/dbraw/zinc/46/23/63/1028462363.db2.gz MECGWHKKEVPJMQ-UHFFFAOYSA-N 1 2 327.325 3.619 20 0 EHADLO COC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(Cl)cc1 ZINC000194075840 1028487210 /nfs/dbraw/zinc/48/72/10/1028487210.db2.gz DGTISUBQCDWCNV-JKSUJKDBSA-N 1 2 348.878 3.867 20 0 EHADLO C[NH+](C)[C@H](c1nc(Cc2ccc(Cl)cc2)no1)c1ccccc1 ZINC000504252264 1028525751 /nfs/dbraw/zinc/52/57/51/1028525751.db2.gz IEYRTBNYJHDCOY-KRWDZBQOSA-N 1 2 327.815 3.965 20 0 EHADLO Cc1c(C(=O)Nc2c(C)cc(C)[nH+]c2C)cnn1Cc1ccccc1 ZINC000194863936 1028555285 /nfs/dbraw/zinc/55/52/85/1028555285.db2.gz FRGGIOUBCQVQJS-UHFFFAOYSA-N 1 2 334.423 3.812 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000073383910 1028556356 /nfs/dbraw/zinc/55/63/56/1028556356.db2.gz CSUBBHZCAZELQE-UHFFFAOYSA-N 1 2 347.418 3.742 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000073383910 1028556370 /nfs/dbraw/zinc/55/63/70/1028556370.db2.gz CSUBBHZCAZELQE-UHFFFAOYSA-N 1 2 347.418 3.742 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)cc(C)[nH+]1 ZINC000421574559 1028568155 /nfs/dbraw/zinc/56/81/55/1028568155.db2.gz GMQPLCNKSBCNKP-UHFFFAOYSA-N 1 2 340.423 3.584 20 0 EHADLO CCC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000074480690 1028619450 /nfs/dbraw/zinc/61/94/50/1028619450.db2.gz HYOKLRUROSNHKD-UHFFFAOYSA-N 1 2 348.406 3.782 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000074483050 1028619649 /nfs/dbraw/zinc/61/96/49/1028619649.db2.gz UFHHCOVPRIAZFK-MRXNPFEDSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1 ZINC000195514579 1028638955 /nfs/dbraw/zinc/63/89/55/1028638955.db2.gz APBTZHLHCJVPEY-HNNXBMFYSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1 ZINC000195514579 1028638968 /nfs/dbraw/zinc/63/89/68/1028638968.db2.gz APBTZHLHCJVPEY-HNNXBMFYSA-N 1 2 341.455 3.764 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000728539630 1028665885 /nfs/dbraw/zinc/66/58/85/1028665885.db2.gz WYPYPPIFMGELKN-SZGZABIGSA-N 1 2 329.831 3.804 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(NC3CC3)[nH+]cn2)cc1F ZINC000664368346 1028679574 /nfs/dbraw/zinc/67/95/74/1028679574.db2.gz RWQNNZHEVHJYMH-HNNXBMFYSA-N 1 2 328.391 3.540 20 0 EHADLO COc1ccc([C@@H]2CCCN2c2cc(NC3CC3)nc[nH+]2)cc1F ZINC000664368346 1028679578 /nfs/dbraw/zinc/67/95/78/1028679578.db2.gz RWQNNZHEVHJYMH-HNNXBMFYSA-N 1 2 328.391 3.540 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000246745259 1028687092 /nfs/dbraw/zinc/68/70/92/1028687092.db2.gz MZFHKFUVWWKSDV-YDHLFZDLSA-N 1 2 337.533 3.511 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000246745259 1028687098 /nfs/dbraw/zinc/68/70/98/1028687098.db2.gz MZFHKFUVWWKSDV-YDHLFZDLSA-N 1 2 337.533 3.511 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000245484372 1028734529 /nfs/dbraw/zinc/73/45/29/1028734529.db2.gz HHXRFSKHNROCDA-YOEHRIQHSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000245484372 1028734540 /nfs/dbraw/zinc/73/45/40/1028734540.db2.gz HHXRFSKHNROCDA-YOEHRIQHSA-N 1 2 337.427 3.677 20 0 EHADLO Cc1c(F)cccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000421749973 1028751566 /nfs/dbraw/zinc/75/15/66/1028751566.db2.gz SKFMHSHOHZNRIJ-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO CCC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000454314587 1028754498 /nfs/dbraw/zinc/75/44/98/1028754498.db2.gz JHICZTTVYCEWJZ-GOSISDBHSA-N 1 2 342.487 3.945 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC[C@@H]1c1ccccc1 ZINC000569620773 1028758317 /nfs/dbraw/zinc/75/83/17/1028758317.db2.gz FMWBRZGHPRFXON-MDZRGWNJSA-N 1 2 325.456 3.631 20 0 EHADLO CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC[C@@H]1c1ccccc1 ZINC000569620773 1028758340 /nfs/dbraw/zinc/75/83/40/1028758340.db2.gz FMWBRZGHPRFXON-MDZRGWNJSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247357194 1028783784 /nfs/dbraw/zinc/78/37/84/1028783784.db2.gz HBJSICRESRVKTN-NVXWUHKLSA-N 1 2 333.453 3.527 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247357194 1028783799 /nfs/dbraw/zinc/78/37/99/1028783799.db2.gz HBJSICRESRVKTN-NVXWUHKLSA-N 1 2 333.453 3.527 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000532741722 1028784737 /nfs/dbraw/zinc/78/47/37/1028784737.db2.gz MDRLPGHFHIFGMF-UHFFFAOYSA-N 1 2 341.842 3.945 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000532741722 1028784747 /nfs/dbraw/zinc/78/47/47/1028784747.db2.gz MDRLPGHFHIFGMF-UHFFFAOYSA-N 1 2 341.842 3.945 20 0 EHADLO COc1cccc([C@H](CN[C@H](C)c2ccncc2Cl)[NH+](C)C)c1 ZINC000421799891 1028786823 /nfs/dbraw/zinc/78/68/23/1028786823.db2.gz GBXQQNZPHGXORB-ACJLOTCBSA-N 1 2 333.863 3.697 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000079510871 1028801272 /nfs/dbraw/zinc/80/12/72/1028801272.db2.gz DAKJQUACRXRVCK-LBPRGKRZSA-N 1 2 341.415 3.532 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccc(F)c1 ZINC000532760943 1028808488 /nfs/dbraw/zinc/80/84/88/1028808488.db2.gz URUFQSKDFWXRPT-LBPRGKRZSA-N 1 2 343.427 3.894 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccc(F)c1 ZINC000532760943 1028808509 /nfs/dbraw/zinc/80/85/09/1028808509.db2.gz URUFQSKDFWXRPT-LBPRGKRZSA-N 1 2 343.427 3.894 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)c(C)c1 ZINC000502931410 1028855916 /nfs/dbraw/zinc/85/59/16/1028855916.db2.gz PNBNCWZJPMQEKP-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)c(C)c1 ZINC000502931410 1028855937 /nfs/dbraw/zinc/85/59/37/1028855937.db2.gz PNBNCWZJPMQEKP-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2C(F)(F)F)c[nH+]1 ZINC000454411621 1028868013 /nfs/dbraw/zinc/86/80/13/1028868013.db2.gz VOMNBJIRGVAFSO-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502941917 1028878572 /nfs/dbraw/zinc/87/85/72/1028878572.db2.gz XBFJWDFQFSHTCE-UHFFFAOYSA-N 1 2 326.415 3.693 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502941917 1028878595 /nfs/dbraw/zinc/87/85/95/1028878595.db2.gz XBFJWDFQFSHTCE-UHFFFAOYSA-N 1 2 326.415 3.693 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000424204309 1028887699 /nfs/dbraw/zinc/88/76/99/1028887699.db2.gz SETWWBMVKGOATC-ZDUSSCGKSA-N 1 2 348.468 3.959 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245593610 1028901690 /nfs/dbraw/zinc/90/16/90/1028901690.db2.gz MHIFLOYUFOZFQK-IAGOWNOFSA-N 1 2 336.838 3.697 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245593610 1028901707 /nfs/dbraw/zinc/90/17/07/1028901707.db2.gz MHIFLOYUFOZFQK-IAGOWNOFSA-N 1 2 336.838 3.697 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000445540487 1028902054 /nfs/dbraw/zinc/90/20/54/1028902054.db2.gz RWZIAHOUDWMOEN-DEOSSOPVSA-N 1 2 346.402 3.659 20 0 EHADLO CCCc1[nH]ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000421873397 1028904557 /nfs/dbraw/zinc/90/45/57/1028904557.db2.gz WBUPPWBFPAKMOH-CQSZACIVSA-N 1 2 331.485 3.548 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000248642196 1028933590 /nfs/dbraw/zinc/93/35/90/1028933590.db2.gz XZZDYCQLBWASMT-CABCVRRESA-N 1 2 337.464 3.527 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000248642196 1028933607 /nfs/dbraw/zinc/93/36/07/1028933607.db2.gz XZZDYCQLBWASMT-CABCVRRESA-N 1 2 337.464 3.527 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2[nH+]1 ZINC000343069431 1028946884 /nfs/dbraw/zinc/94/68/84/1028946884.db2.gz YZOUPRTVGVPPAV-QGHHPUGFSA-N 1 2 341.436 3.821 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421946818 1028953811 /nfs/dbraw/zinc/95/38/11/1028953811.db2.gz TUMQJZJBOCVWKN-ZDUSSCGKSA-N 1 2 337.345 3.677 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)s1 ZINC000424319133 1028965145 /nfs/dbraw/zinc/96/51/45/1028965145.db2.gz DWYRNZUTBKDTKA-UWVGGRQHSA-N 1 2 347.465 3.951 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535940269 1028966876 /nfs/dbraw/zinc/96/68/76/1028966876.db2.gz BXQIHBOHRAPYGT-ULQDDVLXSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1cc(N2CCSCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000524197126 1028977707 /nfs/dbraw/zinc/97/77/07/1028977707.db2.gz CCYKYUCNGNKSIZ-UHFFFAOYSA-N 1 2 328.359 3.995 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)n1 ZINC000424304414 1028987451 /nfs/dbraw/zinc/98/74/51/1028987451.db2.gz BKZYITIBZXYZJO-NSHDSACASA-N 1 2 339.411 3.693 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCOc3c(Cl)cccc32)c[nH+]1 ZINC000454529187 1029002619 /nfs/dbraw/zinc/00/26/19/1029002619.db2.gz WFWZNSBOBJWLKG-INIZCTEOSA-N 1 2 345.830 3.675 20 0 EHADLO Clc1ccc2c(c1)C[N@@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000583152613 1029015907 /nfs/dbraw/zinc/01/59/07/1029015907.db2.gz YQBLYWLPDYUYGD-LJQANCHMSA-N 1 2 328.843 3.561 20 0 EHADLO Clc1ccc2c(c1)C[N@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000583152613 1029015921 /nfs/dbraw/zinc/01/59/21/1029015921.db2.gz YQBLYWLPDYUYGD-LJQANCHMSA-N 1 2 328.843 3.561 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000524271470 1029034321 /nfs/dbraw/zinc/03/43/21/1029034321.db2.gz NEVUSDMHPKJUEU-CYBMUJFWSA-N 1 2 343.377 3.683 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000532900271 1029044009 /nfs/dbraw/zinc/04/40/09/1029044009.db2.gz VGXRPVMUGYIGOX-CQSZACIVSA-N 1 2 338.835 3.778 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000532900271 1029044023 /nfs/dbraw/zinc/04/40/23/1029044023.db2.gz VGXRPVMUGYIGOX-CQSZACIVSA-N 1 2 338.835 3.778 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2ccccc2nc1Cl)c1nnc2ccccn21 ZINC000237384765 1029108915 /nfs/dbraw/zinc/10/89/15/1029108915.db2.gz FZMRRDABTLRABX-GFCCVEGCSA-N 1 2 337.814 3.782 20 0 EHADLO CN(CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000503165912 1029117277 /nfs/dbraw/zinc/11/72/77/1029117277.db2.gz FGMXTTWTCHAHTQ-IBGZPJMESA-N 1 2 347.466 3.745 20 0 EHADLO CN(CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000503165912 1029117284 /nfs/dbraw/zinc/11/72/84/1029117284.db2.gz FGMXTTWTCHAHTQ-IBGZPJMESA-N 1 2 347.466 3.745 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(COC(C)C)c2)c[nH+]1 ZINC000454617791 1029127678 /nfs/dbraw/zinc/12/76/78/1029127678.db2.gz RYDLKLXXOFLZBE-UHFFFAOYSA-N 1 2 327.428 3.945 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cs1 ZINC000271724631 1029141398 /nfs/dbraw/zinc/14/13/98/1029141398.db2.gz XMBXPOCGAFJHRU-SNVBAGLBSA-N 1 2 348.497 3.727 20 0 EHADLO c1csc([C@@H]2CN(Cc3c[nH+]cn3Cc3ccccc3)CCO2)c1 ZINC000445805502 1029142715 /nfs/dbraw/zinc/14/27/15/1029142715.db2.gz LDTRWUNOWYIKPS-SFHVURJKSA-N 1 2 339.464 3.566 20 0 EHADLO CSc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1F ZINC000278122136 1029167944 /nfs/dbraw/zinc/16/79/44/1029167944.db2.gz QLMGEBUMINSQJJ-GXTWGEPZSA-N 1 2 349.431 3.523 20 0 EHADLO CSc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1F ZINC000278122136 1029167950 /nfs/dbraw/zinc/16/79/50/1029167950.db2.gz QLMGEBUMINSQJJ-GXTWGEPZSA-N 1 2 349.431 3.523 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000162659421 1029206828 /nfs/dbraw/zinc/20/68/28/1029206828.db2.gz ZNQLBKBUXKSNNZ-UHFFFAOYSA-N 1 2 348.472 3.631 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000271945808 1029239791 /nfs/dbraw/zinc/23/97/91/1029239791.db2.gz XQAGVUDASZGOTI-ZDUSSCGKSA-N 1 2 345.393 3.516 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000533056018 1029245940 /nfs/dbraw/zinc/24/59/40/1029245940.db2.gz GXIIPDPBMXRCMD-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000533056018 1029245955 /nfs/dbraw/zinc/24/59/55/1029245955.db2.gz GXIIPDPBMXRCMD-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCC(F)(F)F ZINC000245761045 1029257508 /nfs/dbraw/zinc/25/75/08/1029257508.db2.gz PTGZWRSEZHJAQK-OLZOCXBDSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCC(F)(F)F ZINC000245761045 1029257528 /nfs/dbraw/zinc/25/75/28/1029257528.db2.gz PTGZWRSEZHJAQK-OLZOCXBDSA-N 1 2 347.377 3.636 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000424723948 1029275679 /nfs/dbraw/zinc/27/56/79/1029275679.db2.gz QBHVJGWEOWSUNU-UHFFFAOYSA-N 1 2 348.422 3.824 20 0 EHADLO CC(C)c1cccc(OCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000524547504 1029292256 /nfs/dbraw/zinc/29/22/56/1029292256.db2.gz TVAWILCERRIYDG-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1c(NC[C@@]2(C)CC2(F)F)nc[nH+]c1NC[C@@]1(C)CC1(F)F ZINC000664400428 1029307156 /nfs/dbraw/zinc/30/71/56/1029307156.db2.gz XAPZAFLGNLHBGO-CHWSQXEVSA-N 1 2 332.345 3.699 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000195732331 1029336048 /nfs/dbraw/zinc/33/60/48/1029336048.db2.gz KWWAVDCNGFBQCV-LLVKDONJSA-N 1 2 328.250 3.784 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000195732331 1029336052 /nfs/dbraw/zinc/33/60/52/1029336052.db2.gz KWWAVDCNGFBQCV-LLVKDONJSA-N 1 2 328.250 3.784 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCOc3c(F)cccc32)c[nH+]1 ZINC000454778359 1029321339 /nfs/dbraw/zinc/32/13/39/1029321339.db2.gz QHFAIUVGPVVRAI-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(OC)c1C ZINC000583232470 1029342310 /nfs/dbraw/zinc/34/23/10/1029342310.db2.gz YQUZJHRFDKQTLR-UHFFFAOYSA-N 1 2 337.460 3.566 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(OC)c1C ZINC000583232470 1029342328 /nfs/dbraw/zinc/34/23/28/1029342328.db2.gz YQUZJHRFDKQTLR-UHFFFAOYSA-N 1 2 337.460 3.566 20 0 EHADLO CCC(CC)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000524591072 1029343905 /nfs/dbraw/zinc/34/39/05/1029343905.db2.gz ZGJYISVBUAYHEF-MRXNPFEDSA-N 1 2 347.503 3.520 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000446061340 1029370756 /nfs/dbraw/zinc/37/07/56/1029370756.db2.gz PZAGJBRYSAAWIG-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000446061340 1029370771 /nfs/dbraw/zinc/37/07/71/1029370771.db2.gz PZAGJBRYSAAWIG-QBPKDAKJSA-N 1 2 340.467 3.515 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C)o1 ZINC000272271125 1029391140 /nfs/dbraw/zinc/39/11/40/1029391140.db2.gz KKQIFNPTOJUOFV-AWEZNQCLSA-N 1 2 347.846 3.996 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000125063495 1029411548 /nfs/dbraw/zinc/41/15/48/1029411548.db2.gz GSRVKHZSXWGAQY-IIDMSEBBSA-N 1 2 329.419 3.626 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)c(C(C)C)nc2s1 ZINC000505242212 1029418005 /nfs/dbraw/zinc/41/80/05/1029418005.db2.gz IBNIPSMIGJQDAM-CQSZACIVSA-N 1 2 329.473 3.888 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)c(C(C)C)nc2s1 ZINC000505242212 1029418009 /nfs/dbraw/zinc/41/80/09/1029418009.db2.gz IBNIPSMIGJQDAM-CQSZACIVSA-N 1 2 329.473 3.888 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c[nH+]1 ZINC000454895541 1029444334 /nfs/dbraw/zinc/44/43/34/1029444334.db2.gz UUJONOVHPPTILG-DLBZAZTESA-N 1 2 329.831 3.707 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000583265260 1029469294 /nfs/dbraw/zinc/46/92/94/1029469294.db2.gz HXWZCYXNAZOHIZ-YJBOKZPZSA-N 1 2 343.446 3.878 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000272552269 1029509751 /nfs/dbraw/zinc/50/97/51/1029509751.db2.gz OWMRGOGNNKTYHL-CQSZACIVSA-N 1 2 345.443 3.832 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000272552269 1029509756 /nfs/dbraw/zinc/50/97/56/1029509756.db2.gz OWMRGOGNNKTYHL-CQSZACIVSA-N 1 2 345.443 3.832 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000524797633 1029516424 /nfs/dbraw/zinc/51/64/24/1029516424.db2.gz MDROSVPIFQTBLC-RDJZCZTQSA-N 1 2 344.459 3.754 20 0 EHADLO CCOc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1Cl ZINC000343158463 1029544671 /nfs/dbraw/zinc/54/46/71/1029544671.db2.gz LCKLPMURYUHEPP-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO CCOc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1Cl ZINC000343158463 1029544679 /nfs/dbraw/zinc/54/46/79/1029544679.db2.gz LCKLPMURYUHEPP-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO Fc1cc(F)cc(C[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC000583286415 1029547925 /nfs/dbraw/zinc/54/79/25/1029547925.db2.gz OKSGEFMZRSAUQZ-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000272654689 1029551669 /nfs/dbraw/zinc/55/16/69/1029551669.db2.gz NNXQEOGBLQZJGV-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000272654689 1029551675 /nfs/dbraw/zinc/55/16/75/1029551675.db2.gz NNXQEOGBLQZJGV-CYBMUJFWSA-N 1 2 341.333 3.537 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4cc(Cl)ccc4o3)n2)C1 ZINC000272660691 1029554793 /nfs/dbraw/zinc/55/47/93/1029554793.db2.gz OMUNDBOQMMPMJB-HNNXBMFYSA-N 1 2 347.802 3.918 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4cc(Cl)ccc4o3)n2)C1 ZINC000272660691 1029554798 /nfs/dbraw/zinc/55/47/98/1029554798.db2.gz OMUNDBOQMMPMJB-HNNXBMFYSA-N 1 2 347.802 3.918 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCc4c3cccc4F)c[nH+]2)C[C@@H](C)O1 ZINC000513869069 1029560677 /nfs/dbraw/zinc/56/06/77/1029560677.db2.gz GEAJATRQZTVYCW-PJIJBLCYSA-N 1 2 341.430 3.934 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)s1 ZINC000125605387 1029561386 /nfs/dbraw/zinc/56/13/86/1029561386.db2.gz VNSFUYZBMMVAHH-AVGNSLFASA-N 1 2 337.876 3.811 20 0 EHADLO C[N@H+](Cc1cnc(N)s1)Cc1ccc(Br)cc1Cl ZINC000262144630 1029566010 /nfs/dbraw/zinc/56/60/10/1029566010.db2.gz ZKUDSLQGTMUBRC-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(N)s1)Cc1ccc(Br)cc1Cl ZINC000262144630 1029566022 /nfs/dbraw/zinc/56/60/22/1029566022.db2.gz ZKUDSLQGTMUBRC-UHFFFAOYSA-N 1 2 346.681 3.773 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000155585809 1029579997 /nfs/dbraw/zinc/57/99/97/1029579997.db2.gz NQNSTTFBYAQGFA-MRXNPFEDSA-N 1 2 347.480 3.977 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000155585809 1029580007 /nfs/dbraw/zinc/58/00/07/1029580007.db2.gz NQNSTTFBYAQGFA-MRXNPFEDSA-N 1 2 347.480 3.977 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666817466 1029611756 /nfs/dbraw/zinc/61/17/56/1029611756.db2.gz PPHKDXXDVZFIFH-UKRRQHHQSA-N 1 2 343.858 3.851 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CC2)nc(-c2cccnc2)n1C1CC1 ZINC000728562174 1029619307 /nfs/dbraw/zinc/61/93/07/1029619307.db2.gz HHZDOUYOQGFXMY-MRXNPFEDSA-N 1 2 341.484 3.643 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CC2)nc(-c2cccnc2)n1C1CC1 ZINC000728562174 1029619310 /nfs/dbraw/zinc/61/93/10/1029619310.db2.gz HHZDOUYOQGFXMY-MRXNPFEDSA-N 1 2 341.484 3.643 20 0 EHADLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc2[nH+]ccn21 ZINC000525104661 1029686531 /nfs/dbraw/zinc/68/65/31/1029686531.db2.gz LCSUPWLDWMATEE-ZDUSSCGKSA-N 1 2 348.410 3.611 20 0 EHADLO CC1CCC(O)(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000525129078 1029699503 /nfs/dbraw/zinc/69/95/03/1029699503.db2.gz FXUBBXKOFYDOEJ-VXVMZULRSA-N 1 2 341.854 3.794 20 0 EHADLO CC1CCC(O)(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000525129078 1029699510 /nfs/dbraw/zinc/69/95/10/1029699510.db2.gz FXUBBXKOFYDOEJ-VXVMZULRSA-N 1 2 341.854 3.794 20 0 EHADLO CCCC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(OC)cc1 ZINC000583383920 1029739784 /nfs/dbraw/zinc/73/97/84/1029739784.db2.gz YJSAGHCUHOSLGA-LPHOPBHVSA-N 1 2 341.455 3.502 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1Cl ZINC000343212416 1029766010 /nfs/dbraw/zinc/76/60/10/1029766010.db2.gz PPAWRUVVTCTYOK-GFCCVEGCSA-N 1 2 342.892 3.505 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(Br)s2)cn1 ZINC000428452342 1029771586 /nfs/dbraw/zinc/77/15/86/1029771586.db2.gz LAMNWSKXQMFJBS-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)cn1 ZINC000428452342 1029771595 /nfs/dbraw/zinc/77/15/95/1029771595.db2.gz LAMNWSKXQMFJBS-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO C[C@H](COc1ccc(C(C)(C)C)cc1)Nc1[nH+]cnc2c1cnn2C ZINC000509681904 1029772293 /nfs/dbraw/zinc/77/22/93/1029772293.db2.gz JPVAHXTZWSGAPD-CYBMUJFWSA-N 1 2 339.443 3.540 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C(C)(C)Cc2cccc(Cl)c2)n1 ZINC000545138783 1029778181 /nfs/dbraw/zinc/77/81/81/1029778181.db2.gz HIKZUPRMPMZVJQ-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCC1(C2CCC2)CCC1 ZINC000455621557 1029778868 /nfs/dbraw/zinc/77/88/68/1029778868.db2.gz QMOSSBRFELKDAF-UHFFFAOYSA-N 1 2 330.476 3.543 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1OCCC(C)C ZINC000525314223 1029789854 /nfs/dbraw/zinc/78/98/54/1029789854.db2.gz FQBBIYXKEFJMPU-MRXNPFEDSA-N 1 2 344.459 3.827 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000126923077 1029801946 /nfs/dbraw/zinc/80/19/46/1029801946.db2.gz YLDODNHDQZJJLT-AWEZNQCLSA-N 1 2 334.485 3.689 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000126923077 1029801960 /nfs/dbraw/zinc/80/19/60/1029801960.db2.gz YLDODNHDQZJJLT-AWEZNQCLSA-N 1 2 334.485 3.689 20 0 EHADLO FC(F)(F)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1Cl ZINC000728567220 1029818612 /nfs/dbraw/zinc/81/86/12/1029818612.db2.gz ORELKWHPWCLHLO-SNVBAGLBSA-N 1 2 330.741 3.792 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)c1 ZINC000156356228 1029822886 /nfs/dbraw/zinc/82/28/86/1029822886.db2.gz NVYUEZNSQKJKOW-HXUWFJFHSA-N 1 2 345.446 3.737 20 0 EHADLO CCc1noc(C)c1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000162688501 1029856144 /nfs/dbraw/zinc/85/61/44/1029856144.db2.gz NJOBNIDNXGITNR-UHFFFAOYSA-N 1 2 347.890 3.907 20 0 EHADLO CCc1noc(C)c1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000162688501 1029856149 /nfs/dbraw/zinc/85/61/49/1029856149.db2.gz NJOBNIDNXGITNR-UHFFFAOYSA-N 1 2 347.890 3.907 20 0 EHADLO C[C@H]([NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000446940545 1029861059 /nfs/dbraw/zinc/86/10/59/1029861059.db2.gz VKALXTLNEIXYRX-MYXDTRPFSA-N 1 2 339.464 3.587 20 0 EHADLO C[C@H](CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000455726794 1029862549 /nfs/dbraw/zinc/86/25/49/1029862549.db2.gz DBCFOUZECGSLPQ-CHWSQXEVSA-N 1 2 339.361 3.615 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039690 1029872536 /nfs/dbraw/zinc/87/25/36/1029872536.db2.gz MGMWSPBATNKRFM-BHPKHCPMSA-N 1 2 332.410 3.510 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000536039690 1029872541 /nfs/dbraw/zinc/87/25/41/1029872541.db2.gz MGMWSPBATNKRFM-BHPKHCPMSA-N 1 2 332.410 3.510 20 0 EHADLO CC(C)O[C@H](C[N@H+](C)CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000428463564 1029873968 /nfs/dbraw/zinc/87/39/68/1029873968.db2.gz RVOPWJIYIIMAPK-LJQANCHMSA-N 1 2 344.430 3.862 20 0 EHADLO CC(C)O[C@H](C[N@@H+](C)CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000428463564 1029873974 /nfs/dbraw/zinc/87/39/74/1029873974.db2.gz RVOPWJIYIIMAPK-LJQANCHMSA-N 1 2 344.430 3.862 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000156531139 1029874105 /nfs/dbraw/zinc/87/41/05/1029874105.db2.gz YMDNRTNXFXMIMR-CRAIPNDOSA-N 1 2 325.456 3.658 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000455773841 1029923221 /nfs/dbraw/zinc/92/32/21/1029923221.db2.gz VIYRSPDOVXVGCG-UHFFFAOYSA-N 1 2 328.416 3.608 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000455773841 1029923239 /nfs/dbraw/zinc/92/32/39/1029923239.db2.gz VIYRSPDOVXVGCG-UHFFFAOYSA-N 1 2 328.416 3.608 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000447093386 1029923197 /nfs/dbraw/zinc/92/31/97/1029923197.db2.gz JENSEAWREQSZMF-UHFFFAOYSA-N 1 2 340.320 3.681 20 0 EHADLO Cc1csc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)n1 ZINC000447098769 1029937560 /nfs/dbraw/zinc/93/75/60/1029937560.db2.gz IJUKCLAZGNTJFG-OAHLLOKOSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1csc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)n1 ZINC000447098769 1029937565 /nfs/dbraw/zinc/93/75/65/1029937565.db2.gz IJUKCLAZGNTJFG-OAHLLOKOSA-N 1 2 338.480 3.710 20 0 EHADLO CCCc1nc(C[NH+]2CCC(Oc3ncccc3C)CC2)cs1 ZINC000429713188 1029945139 /nfs/dbraw/zinc/94/51/39/1029945139.db2.gz CXTUGVRORUXDTC-UHFFFAOYSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000455775534 1029949484 /nfs/dbraw/zinc/94/94/84/1029949484.db2.gz ZOUBBRHRWQPPCP-YJBOKZPZSA-N 1 2 342.443 3.785 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)cc1 ZINC000509632859 1029950304 /nfs/dbraw/zinc/95/03/04/1029950304.db2.gz HRWNJHUDNPDCIJ-INIZCTEOSA-N 1 2 335.455 3.556 20 0 EHADLO CCC[N@H+](Cc1ccc(Br)s1)[C@@H](C)C(=O)OCC ZINC000429698129 1029951068 /nfs/dbraw/zinc/95/10/68/1029951068.db2.gz BQPOFPOWVVKDAH-JTQLQIEISA-N 1 2 334.279 3.674 20 0 EHADLO CCC[N@@H+](Cc1ccc(Br)s1)[C@@H](C)C(=O)OCC ZINC000429698129 1029951086 /nfs/dbraw/zinc/95/10/86/1029951086.db2.gz BQPOFPOWVVKDAH-JTQLQIEISA-N 1 2 334.279 3.674 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cccc(Br)c1F ZINC000823429313 1030015141 /nfs/dbraw/zinc/01/51/41/1030015141.db2.gz YKWMPONJCQTDNP-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cccc(Br)c1F ZINC000823429313 1030015151 /nfs/dbraw/zinc/01/51/51/1030015151.db2.gz YKWMPONJCQTDNP-UHFFFAOYSA-N 1 2 340.240 3.571 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccccc2OCc2ccncc2)s1 ZINC000525695190 1030040762 /nfs/dbraw/zinc/04/07/62/1030040762.db2.gz BWJKQNUXYKDRTE-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO CCCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000171374377 1030049693 /nfs/dbraw/zinc/04/96/93/1030049693.db2.gz PJCZBLVKDFSXIQ-HOTGVXAUSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000128057165 1030067098 /nfs/dbraw/zinc/06/70/98/1030067098.db2.gz RAIQBMLMHNHAOA-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000128057165 1030067107 /nfs/dbraw/zinc/06/71/07/1030067107.db2.gz RAIQBMLMHNHAOA-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120719808 1030099116 /nfs/dbraw/zinc/09/91/16/1030099116.db2.gz TVTCWZKFWYHWSB-OKZBNKHCSA-N 1 2 342.826 3.518 20 0 EHADLO Cc1cc(C)c(C[NH2+][C@@H](C)c2ncc(Br)s2)cn1 ZINC000453344607 1030132225 /nfs/dbraw/zinc/13/22/25/1030132225.db2.gz DWFJRLQRJIQEGR-JTQLQIEISA-N 1 2 326.263 3.768 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc(C(C)(C)C)s2)c1C ZINC000058958938 1030141701 /nfs/dbraw/zinc/14/17/01/1030141701.db2.gz XNFVIIPXGRJVHX-UHFFFAOYSA-N 1 2 347.484 3.733 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1nc2c(s1)CCCC2 ZINC000090666244 1030157332 /nfs/dbraw/zinc/15/73/32/1030157332.db2.gz SNUIAVMAINSUMT-VIFPVBQESA-N 1 2 344.406 3.625 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cn1 ZINC000525836290 1030162284 /nfs/dbraw/zinc/16/22/84/1030162284.db2.gz SGRVMEUFSTWCDQ-AWEZNQCLSA-N 1 2 327.407 3.640 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)oc1C ZINC000447392022 1030162389 /nfs/dbraw/zinc/16/23/89/1030162389.db2.gz AOFUTTJRSSVJLX-AWEZNQCLSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)oc1C ZINC000447392022 1030162398 /nfs/dbraw/zinc/16/23/98/1030162398.db2.gz AOFUTTJRSSVJLX-AWEZNQCLSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121084106 1030177545 /nfs/dbraw/zinc/17/75/45/1030177545.db2.gz UQFMXLPMLVMCFH-LJQANCHMSA-N 1 2 338.451 3.738 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000121108803 1030182709 /nfs/dbraw/zinc/18/27/09/1030182709.db2.gz ISFBQBZEOFEDQY-VQHVLOKHSA-N 1 2 326.396 3.676 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(F)cn1 ZINC000453368117 1030186229 /nfs/dbraw/zinc/18/62/29/1030186229.db2.gz WSDRNSWOJGXAOA-SDBXPKJASA-N 1 2 340.320 3.985 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772640 1030254762 /nfs/dbraw/zinc/25/47/62/1030254762.db2.gz UMYUITZWCZSRDT-CYBMUJFWSA-N 1 2 339.505 3.517 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772640 1030254781 /nfs/dbraw/zinc/25/47/81/1030254781.db2.gz UMYUITZWCZSRDT-CYBMUJFWSA-N 1 2 339.505 3.517 20 0 EHADLO CCC[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000121477435 1030277671 /nfs/dbraw/zinc/27/76/71/1030277671.db2.gz LZONYGVACNJXDY-INIZCTEOSA-N 1 2 329.444 3.973 20 0 EHADLO CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900576249 1030298844 /nfs/dbraw/zinc/29/88/44/1030298844.db2.gz ACKJGCIHUXMOJU-GOSISDBHSA-N 1 2 340.471 3.646 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)ccc1OC(F)F)n2C ZINC000667997671 1030316284 /nfs/dbraw/zinc/31/62/84/1030316284.db2.gz XMQWVWVCKPBOCD-UHFFFAOYSA-N 1 2 349.356 3.912 20 0 EHADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000453452894 1030325886 /nfs/dbraw/zinc/32/58/86/1030325886.db2.gz SKTPLNTVYZVAID-STQMWFEESA-N 1 2 332.473 3.648 20 0 EHADLO COc1cc(C[N@H+](Cc2ccc(F)c(F)c2F)C2CC2)ccc1O ZINC000668006124 1030336431 /nfs/dbraw/zinc/33/64/31/1030336431.db2.gz KIPYZHDGRFENOJ-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccc(F)c(F)c2F)C2CC2)ccc1O ZINC000668006124 1030336448 /nfs/dbraw/zinc/33/64/48/1030336448.db2.gz KIPYZHDGRFENOJ-UHFFFAOYSA-N 1 2 337.341 3.983 20 0 EHADLO Cn1cc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000121787103 1030338853 /nfs/dbraw/zinc/33/88/53/1030338853.db2.gz YACVNOKQGPQJHA-UHFFFAOYSA-N 1 2 344.418 3.935 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCc3ccc(F)cc31)C2 ZINC000526003516 1030343331 /nfs/dbraw/zinc/34/33/31/1030343331.db2.gz OXSHXQWQJMLEDF-CZUORRHYSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCc3ccc(F)cc31)CC2 ZINC000526003516 1030343343 /nfs/dbraw/zinc/34/33/43/1030343343.db2.gz OXSHXQWQJMLEDF-CZUORRHYSA-N 1 2 341.430 3.581 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOC[C@H]2CC)ccc1OCC(F)(F)F ZINC000091981368 1030346063 /nfs/dbraw/zinc/34/60/63/1030346063.db2.gz DIEAAOOEUARJHM-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCOC[C@H]2CC)ccc1OCC(F)(F)F ZINC000091981368 1030346078 /nfs/dbraw/zinc/34/60/78/1030346078.db2.gz DIEAAOOEUARJHM-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H](c2nccn2C)C2CC2)s1 ZINC000453598870 1030358626 /nfs/dbraw/zinc/35/86/26/1030358626.db2.gz OQBSWXVCSISSFF-CYBMUJFWSA-N 1 2 340.290 3.793 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000080494995 1030407764 /nfs/dbraw/zinc/40/77/64/1030407764.db2.gz PMABBCKWZIQNAD-HNQUOIGGSA-N 1 2 344.455 3.635 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000158792721 1030410551 /nfs/dbraw/zinc/41/05/51/1030410551.db2.gz PPPSDOUGSPJEME-LBPRGKRZSA-N 1 2 327.268 3.681 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000158792721 1030410556 /nfs/dbraw/zinc/41/05/56/1030410556.db2.gz PPPSDOUGSPJEME-LBPRGKRZSA-N 1 2 327.268 3.681 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1cnc(C(F)(F)F)s1 ZINC000447731469 1030441605 /nfs/dbraw/zinc/44/16/05/1030441605.db2.gz MUFWVNSRZKZQDX-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1cnc(C(F)(F)F)s1 ZINC000447731469 1030441616 /nfs/dbraw/zinc/44/16/16/1030441616.db2.gz MUFWVNSRZKZQDX-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000194305412 1030446330 /nfs/dbraw/zinc/44/63/30/1030446330.db2.gz VHIZMRBKUVWVAP-OAHLLOKOSA-N 1 2 335.444 3.683 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000194305412 1030446334 /nfs/dbraw/zinc/44/63/34/1030446334.db2.gz VHIZMRBKUVWVAP-OAHLLOKOSA-N 1 2 335.444 3.683 20 0 EHADLO Cc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1F ZINC000343350651 1030450797 /nfs/dbraw/zinc/45/07/97/1030450797.db2.gz OXHWGYRLUKMICP-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CC(C)(C)C1CCC(CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000532213475 1030482976 /nfs/dbraw/zinc/48/29/76/1030482976.db2.gz KLFKBFFXWYQEQM-UHFFFAOYSA-N 1 2 334.508 3.815 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343359704 1030493981 /nfs/dbraw/zinc/49/39/81/1030493981.db2.gz JXEOKUHDWZWWHN-UPHRSURJSA-N 1 2 336.370 3.508 20 0 EHADLO Cn1c(CNc2ccc(N3CCCC3)c[nH+]2)nc2ccc(Cl)cc21 ZINC000343361944 1030504324 /nfs/dbraw/zinc/50/43/24/1030504324.db2.gz QSSNIJKLBQMCQU-UHFFFAOYSA-N 1 2 341.846 3.834 20 0 EHADLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cnn1CCC(C)C ZINC000122202372 1030546622 /nfs/dbraw/zinc/54/66/22/1030546622.db2.gz FADFENXWBDAYTI-UHFFFAOYSA-N 1 2 337.427 3.676 20 0 EHADLO COCc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000526995067 1030556622 /nfs/dbraw/zinc/55/66/22/1030556622.db2.gz SELVCVZLOYQMEZ-MRXNPFEDSA-N 1 2 340.250 3.963 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668091709 1030590285 /nfs/dbraw/zinc/59/02/85/1030590285.db2.gz MXSYBMXLMXFHPP-UHFFFAOYSA-N 1 2 329.391 3.793 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668091709 1030590295 /nfs/dbraw/zinc/59/02/95/1030590295.db2.gz MXSYBMXLMXFHPP-UHFFFAOYSA-N 1 2 329.391 3.793 20 0 EHADLO CCCOc1cccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000093382815 1030595415 /nfs/dbraw/zinc/59/54/15/1030595415.db2.gz ZVAVHZGVWDQIQU-UHFFFAOYSA-N 1 2 338.411 3.552 20 0 EHADLO CCCOc1cccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000093382815 1030595427 /nfs/dbraw/zinc/59/54/27/1030595427.db2.gz ZVAVHZGVWDQIQU-UHFFFAOYSA-N 1 2 338.411 3.552 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H]1c2ccccc2O[C@H]1C)c1ccccc1 ZINC000685192069 1030596706 /nfs/dbraw/zinc/59/67/06/1030596706.db2.gz UOCVAQGAWIXMBA-RYGJVYDSSA-N 1 2 338.451 3.708 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)c(OC)c3)CCO2)c1 ZINC000193876021 1030614817 /nfs/dbraw/zinc/61/48/17/1030614817.db2.gz LOPBRKLLUKDIAY-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)CCO2)c1 ZINC000193876021 1030614841 /nfs/dbraw/zinc/61/48/41/1030614841.db2.gz LOPBRKLLUKDIAY-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)o1 ZINC000093480431 1030615362 /nfs/dbraw/zinc/61/53/62/1030615362.db2.gz MKKCXEIOTCIZJQ-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)o1 ZINC000093480431 1030615374 /nfs/dbraw/zinc/61/53/74/1030615374.db2.gz MKKCXEIOTCIZJQ-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO CCCCC[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042464764 1030635016 /nfs/dbraw/zinc/63/50/16/1030635016.db2.gz FDXIUZXUUXSCHB-HNNXBMFYSA-N 1 2 333.501 3.961 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CC(C)(C)c4ccccc43)[nH+]c12 ZINC000532894905 1030635155 /nfs/dbraw/zinc/63/51/55/1030635155.db2.gz VGNHUKCRTDEKFG-SFHVURJKSA-N 1 2 333.435 3.724 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000093637748 1030643879 /nfs/dbraw/zinc/64/38/79/1030643879.db2.gz VHBRLBLKZOLSRF-FQEVSTJZSA-N 1 2 342.414 3.666 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000093637748 1030643891 /nfs/dbraw/zinc/64/38/91/1030643891.db2.gz VHBRLBLKZOLSRF-FQEVSTJZSA-N 1 2 342.414 3.666 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000657791573 1030657929 /nfs/dbraw/zinc/65/79/29/1030657929.db2.gz GKCMQRUEIIIZBK-OAHLLOKOSA-N 1 2 347.283 3.512 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)CCCO1 ZINC000170773432 1030701272 /nfs/dbraw/zinc/70/12/72/1030701272.db2.gz IVEICRXMNGKCBJ-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)CCCO1 ZINC000170773432 1030701289 /nfs/dbraw/zinc/70/12/89/1030701289.db2.gz IVEICRXMNGKCBJ-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO COCC[NH+](CCOC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000060992577 1030715805 /nfs/dbraw/zinc/71/58/05/1030715805.db2.gz UPNAPUHOFSMPNB-UHFFFAOYSA-N 1 2 340.876 3.558 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OCC2CC2)CC1 ZINC000360022267 1030717946 /nfs/dbraw/zinc/71/79/46/1030717946.db2.gz PIIRVEPUNHCWKM-CYBMUJFWSA-N 1 2 336.863 3.558 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000482811930 1030724308 /nfs/dbraw/zinc/72/43/08/1030724308.db2.gz VZKGJVIJSDPCKI-TZMCWYRMSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000482811930 1030724329 /nfs/dbraw/zinc/72/43/29/1030724329.db2.gz VZKGJVIJSDPCKI-TZMCWYRMSA-N 1 2 337.769 3.626 20 0 EHADLO c1nnc([C@@H]([NH2+]CCc2cc3ccccc3s2)c2ccccc2)[nH]1 ZINC000550882682 1030757554 /nfs/dbraw/zinc/75/75/54/1030757554.db2.gz RDSOKTFKMWVASD-SFHVURJKSA-N 1 2 334.448 3.941 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476643968 1030760241 /nfs/dbraw/zinc/76/02/41/1030760241.db2.gz QCTADUQESUKEPC-TWILYEHCSA-N 1 2 336.426 3.508 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476643968 1030760255 /nfs/dbraw/zinc/76/02/55/1030760255.db2.gz QCTADUQESUKEPC-TWILYEHCSA-N 1 2 336.426 3.508 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2cc[nH]c2c1 ZINC000194232431 1030764252 /nfs/dbraw/zinc/76/42/52/1030764252.db2.gz YSNKLTYMNYLZOP-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000550885962 1030764674 /nfs/dbraw/zinc/76/46/74/1030764674.db2.gz ACUXDJJQUCMHLV-WMZOPIPTSA-N 1 2 338.455 3.805 20 0 EHADLO C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000550885955 1030765069 /nfs/dbraw/zinc/76/50/69/1030765069.db2.gz ACUXDJJQUCMHLV-AEFFLSMTSA-N 1 2 338.455 3.805 20 0 EHADLO CC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccs1 ZINC000171653320 1030771895 /nfs/dbraw/zinc/77/18/95/1030771895.db2.gz OFAKXFNDYDHZNW-AWEZNQCLSA-N 1 2 332.473 3.786 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)F)c1 ZINC000171429686 1030776083 /nfs/dbraw/zinc/77/60/83/1030776083.db2.gz YJSLUYJSXHBFTC-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO CCCOc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000171506889 1030784921 /nfs/dbraw/zinc/78/49/21/1030784921.db2.gz ACNNEQSFIKIWFU-UHFFFAOYSA-N 1 2 342.443 3.884 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2F)n1)[C@H](CCO)c1ccccc1 ZINC000527325163 1030795485 /nfs/dbraw/zinc/79/54/85/1030795485.db2.gz MZSAVSQKZHTXBS-LJQANCHMSA-N 1 2 339.414 3.567 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2F)n1)[C@H](CCO)c1ccccc1 ZINC000527325163 1030795500 /nfs/dbraw/zinc/79/55/00/1030795500.db2.gz MZSAVSQKZHTXBS-LJQANCHMSA-N 1 2 339.414 3.567 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(C)(C)CC(C)(C)C1)C2 ZINC000476675103 1030795744 /nfs/dbraw/zinc/79/57/44/1030795744.db2.gz JTNXGBQQZKXEDX-CQSZACIVSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(C)(C)CC(C)(C)C1)CC2 ZINC000476675103 1030795758 /nfs/dbraw/zinc/79/57/58/1030795758.db2.gz JTNXGBQQZKXEDX-CQSZACIVSA-N 1 2 331.504 3.923 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000527324517 1030797476 /nfs/dbraw/zinc/79/74/76/1030797476.db2.gz KZOMQRBWHVYASU-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000508624556 1030817519 /nfs/dbraw/zinc/81/75/19/1030817519.db2.gz FLYWYUDMOGYTBF-MDZRGWNJSA-N 1 2 348.487 3.546 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000476688241 1030817721 /nfs/dbraw/zinc/81/77/21/1030817721.db2.gz MGJCXWWRFBFESV-UHFFFAOYSA-N 1 2 349.425 3.908 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2cc[nH]c2c1 ZINC000194265276 1030842116 /nfs/dbraw/zinc/84/21/16/1030842116.db2.gz JLDXJRQRWPRSJQ-UHFFFAOYSA-N 1 2 345.406 3.734 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000096982390 1030870835 /nfs/dbraw/zinc/87/08/35/1030870835.db2.gz OJFOPZNSINKCSH-UHFFFAOYSA-N 1 2 343.452 3.831 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000096982390 1030870856 /nfs/dbraw/zinc/87/08/56/1030870856.db2.gz OJFOPZNSINKCSH-UHFFFAOYSA-N 1 2 343.452 3.831 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)[nH+]1 ZINC000097040100 1030882898 /nfs/dbraw/zinc/88/28/98/1030882898.db2.gz OOXBPISJLXPFGN-LBPRGKRZSA-N 1 2 341.436 3.692 20 0 EHADLO Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557394 1030883083 /nfs/dbraw/zinc/88/30/83/1030883083.db2.gz ZLEMONNEHIKEJX-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)on1 ZINC000568168128 1030910777 /nfs/dbraw/zinc/91/07/77/1030910777.db2.gz YGXBTXQVNWUCTH-UHFFFAOYSA-N 1 2 336.794 3.991 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(OC)c(Cl)c2)o1 ZINC000546640392 1030927818 /nfs/dbraw/zinc/92/78/18/1030927818.db2.gz APRNFJXBROOCCX-OAHLLOKOSA-N 1 2 336.819 3.820 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cnc(OC)c(Cl)c2)o1 ZINC000546640392 1030927829 /nfs/dbraw/zinc/92/78/29/1030927829.db2.gz APRNFJXBROOCCX-OAHLLOKOSA-N 1 2 336.819 3.820 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000448359461 1030982722 /nfs/dbraw/zinc/98/27/22/1030982722.db2.gz MNCQLMCCWNBYNN-CQSZACIVSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000448359461 1030982737 /nfs/dbraw/zinc/98/27/37/1030982737.db2.gz MNCQLMCCWNBYNN-CQSZACIVSA-N 1 2 339.863 3.509 20 0 EHADLO CC1(C)CCCC[C@@H]1CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000157985250 1030995733 /nfs/dbraw/zinc/99/57/33/1030995733.db2.gz ZGVQQWBXCZPPJF-MRXNPFEDSA-N 1 2 329.488 3.773 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cn1 ZINC000483152906 1031007044 /nfs/dbraw/zinc/00/70/44/1031007044.db2.gz CJRQOLKHKICNFE-QFIPXVFZSA-N 1 2 346.478 3.944 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cn1 ZINC000483152906 1031007059 /nfs/dbraw/zinc/00/70/59/1031007059.db2.gz CJRQOLKHKICNFE-QFIPXVFZSA-N 1 2 346.478 3.944 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000527619177 1031041950 /nfs/dbraw/zinc/04/19/50/1031041950.db2.gz MEVVEHCQDBNDHQ-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000527619177 1031041963 /nfs/dbraw/zinc/04/19/63/1031041963.db2.gz MEVVEHCQDBNDHQ-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527619669 1031043844 /nfs/dbraw/zinc/04/38/44/1031043844.db2.gz NKDPKKSMDNVQCU-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000527619669 1031043861 /nfs/dbraw/zinc/04/38/61/1031043861.db2.gz NKDPKKSMDNVQCU-UHFFFAOYSA-N 1 2 325.456 3.947 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)n1 ZINC000483277990 1031084988 /nfs/dbraw/zinc/08/49/88/1031084988.db2.gz AXLOPISJJBZNDX-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)n1 ZINC000483277990 1031085006 /nfs/dbraw/zinc/08/50/06/1031085006.db2.gz AXLOPISJJBZNDX-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000668229728 1031086165 /nfs/dbraw/zinc/08/61/65/1031086165.db2.gz RKIBINUPIMUCIE-IAGOWNOFSA-N 1 2 325.456 3.599 20 0 EHADLO CN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527675817 1031109201 /nfs/dbraw/zinc/10/92/01/1031109201.db2.gz COUVTPBDKCNRRE-QGZVFWFLSA-N 1 2 332.831 3.556 20 0 EHADLO CN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527675817 1031109211 /nfs/dbraw/zinc/10/92/11/1031109211.db2.gz COUVTPBDKCNRRE-QGZVFWFLSA-N 1 2 332.831 3.556 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000527688957 1031123377 /nfs/dbraw/zinc/12/33/77/1031123377.db2.gz ZMVZUYPMRWNTCM-MRXNPFEDSA-N 1 2 344.503 3.566 20 0 EHADLO CCNC(=O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476997032 1031155758 /nfs/dbraw/zinc/15/57/58/1031155758.db2.gz QCBBVWCZCHAWRJ-UHFFFAOYSA-N 1 2 327.255 3.609 20 0 EHADLO CCC[N@H+](Cc1ncccc1C(F)(F)F)[C@H](CC)C(=O)OCC ZINC000483437565 1031169083 /nfs/dbraw/zinc/16/90/83/1031169083.db2.gz KLKLPHVONXTHKL-CQSZACIVSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1ncccc1C(F)(F)F)[C@H](CC)C(=O)OCC ZINC000483437565 1031169092 /nfs/dbraw/zinc/16/90/92/1031169092.db2.gz KLKLPHVONXTHKL-CQSZACIVSA-N 1 2 332.366 3.654 20 0 EHADLO CC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174210250 1031176371 /nfs/dbraw/zinc/17/63/71/1031176371.db2.gz PRTUGEXQVLSTQJ-CVEARBPZSA-N 1 2 326.444 3.765 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ncc(-c2ccccc2)o1 ZINC000174022170 1031194063 /nfs/dbraw/zinc/19/40/63/1031194063.db2.gz PLQGAJXJHOMBAX-ZDUSSCGKSA-N 1 2 339.370 3.770 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCO[C@H]3CCCC[C@H]3C)CCO2)c1 ZINC000483518051 1031207048 /nfs/dbraw/zinc/20/70/48/1031207048.db2.gz HLRVOYMDPCDLSB-UXPWSPDFSA-N 1 2 333.472 3.664 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCO[C@H]3CCCC[C@H]3C)CCO2)c1 ZINC000483518051 1031207057 /nfs/dbraw/zinc/20/70/57/1031207057.db2.gz HLRVOYMDPCDLSB-UXPWSPDFSA-N 1 2 333.472 3.664 20 0 EHADLO Cn1ccnc1C([NH2+]CC1CCC(C(C)(C)C)CC1)c1nccn1C ZINC000527753402 1031208549 /nfs/dbraw/zinc/20/85/49/1031208549.db2.gz DPSPNCFXFJPRNA-UHFFFAOYSA-N 1 2 343.519 3.685 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000536170203 1031224075 /nfs/dbraw/zinc/22/40/75/1031224075.db2.gz RTOGNVAUICBOPV-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000536170203 1031224083 /nfs/dbraw/zinc/22/40/83/1031224083.db2.gz RTOGNVAUICBOPV-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO CCc1nocc1C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527792633 1031228856 /nfs/dbraw/zinc/22/88/56/1031228856.db2.gz TXRWGSWUTIWUQS-UHFFFAOYSA-N 1 2 331.160 3.568 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc(F)cc1Cl ZINC000138900291 1031228827 /nfs/dbraw/zinc/22/88/27/1031228827.db2.gz LQBZVXAMVBCLPT-QGZVFWFLSA-N 1 2 348.805 3.960 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc(F)cc1Cl ZINC000138900291 1031228850 /nfs/dbraw/zinc/22/88/50/1031228850.db2.gz LQBZVXAMVBCLPT-QGZVFWFLSA-N 1 2 348.805 3.960 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1O ZINC000551332403 1031232390 /nfs/dbraw/zinc/23/23/90/1031232390.db2.gz LKPQCXNHORVPQN-IBGZPJMESA-N 1 2 341.451 3.625 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1O ZINC000551332403 1031232400 /nfs/dbraw/zinc/23/24/00/1031232400.db2.gz LKPQCXNHORVPQN-IBGZPJMESA-N 1 2 341.451 3.625 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278539297 1031289447 /nfs/dbraw/zinc/28/94/47/1031289447.db2.gz AAEUJAOIJHDOSC-LLVKDONJSA-N 1 2 329.341 3.970 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278539297 1031289458 /nfs/dbraw/zinc/28/94/58/1031289458.db2.gz AAEUJAOIJHDOSC-LLVKDONJSA-N 1 2 329.341 3.970 20 0 EHADLO CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175399245 1031302847 /nfs/dbraw/zinc/30/28/47/1031302847.db2.gz WLADKOFMYFYLOC-KRWDZBQOSA-N 1 2 339.370 3.808 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)c1 ZINC000175454355 1031337452 /nfs/dbraw/zinc/33/74/52/1031337452.db2.gz SMHKPMVWPGMTJB-MRXNPFEDSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)c1 ZINC000175454355 1031337468 /nfs/dbraw/zinc/33/74/68/1031337468.db2.gz SMHKPMVWPGMTJB-MRXNPFEDSA-N 1 2 329.362 3.505 20 0 EHADLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000175510361 1031343542 /nfs/dbraw/zinc/34/35/42/1031343542.db2.gz NPBJXEULAKYPGB-GFCCVEGCSA-N 1 2 349.887 3.685 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1nccc2ccccc21 ZINC000903341407 1031344443 /nfs/dbraw/zinc/34/44/43/1031344443.db2.gz OGDZVOYMDZXCIO-NSHDSACASA-N 1 2 334.345 3.838 20 0 EHADLO Cc1ccc(C[NH+]2CCN(c3c(C)cccc3C)CC2)c(Cl)n1 ZINC001142147442 1031400693 /nfs/dbraw/zinc/40/06/93/1031400693.db2.gz UFBPMZNRUDYDBA-UHFFFAOYSA-N 1 2 329.875 3.982 20 0 EHADLO CCn1ncc(C[NH2+][C@@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)n1 ZINC000527922446 1031411492 /nfs/dbraw/zinc/41/14/92/1031411492.db2.gz XAYAUPVEIHBUSR-GOSISDBHSA-N 1 2 342.487 3.907 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000132773336 1031411764 /nfs/dbraw/zinc/41/17/64/1031411764.db2.gz BRNPDQSNKNPZRJ-MRXNPFEDSA-N 1 2 343.826 3.586 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000132773336 1031411785 /nfs/dbraw/zinc/41/17/85/1031411785.db2.gz BRNPDQSNKNPZRJ-MRXNPFEDSA-N 1 2 343.826 3.586 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448681037 1031414320 /nfs/dbraw/zinc/41/43/20/1031414320.db2.gz NQBCFUIKOMGKET-IFMALSPDSA-N 1 2 345.446 3.525 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000083019068 1031446859 /nfs/dbraw/zinc/44/68/59/1031446859.db2.gz CCLKTTCHDNUVST-HUUCEWRRSA-N 1 2 348.878 3.760 20 0 EHADLO CCC(CC)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000667002713 1031493330 /nfs/dbraw/zinc/49/33/30/1031493330.db2.gz WMVVMUJXOZUXBT-RHSMWYFYSA-N 1 2 331.485 3.801 20 0 EHADLO O=C(NCc1ccsc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527972886 1031505661 /nfs/dbraw/zinc/50/56/61/1031505661.db2.gz YDOSRSQZNOFZSK-MRXNPFEDSA-N 1 2 334.872 3.682 20 0 EHADLO O=C(NCc1ccsc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527972886 1031505671 /nfs/dbraw/zinc/50/56/71/1031505671.db2.gz YDOSRSQZNOFZSK-MRXNPFEDSA-N 1 2 334.872 3.682 20 0 EHADLO Cc1cc(N2CCC(O)(Cc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000475718214 1031509884 /nfs/dbraw/zinc/50/98/84/1031509884.db2.gz CFIDWQNPKLJGST-UHFFFAOYSA-N 1 2 343.446 3.622 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726183 1031517181 /nfs/dbraw/zinc/51/71/81/1031517181.db2.gz PNJQSAYVMLOPKG-QZTJIDSGSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc(NC(N)=O)cc1 ZINC000278589223 1031523354 /nfs/dbraw/zinc/52/33/54/1031523354.db2.gz GTNXFYBNENGARN-MRVPVSSYSA-N 1 2 344.362 3.503 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cn(-c2ccccc2)nn1 ZINC000527968033 1031536579 /nfs/dbraw/zinc/53/65/79/1031536579.db2.gz NWSMUTTYVUARPU-MGPUTAFESA-N 1 2 333.439 3.854 20 0 EHADLO OC1(Cc2ccc(F)cc2)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527968536 1031539805 /nfs/dbraw/zinc/53/98/05/1031539805.db2.gz TYQLCFJXSRUKSJ-UHFFFAOYSA-N 1 2 336.410 3.948 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000484350559 1031553422 /nfs/dbraw/zinc/55/34/22/1031553422.db2.gz GFPHDHYXBSLWPC-CQSZACIVSA-N 1 2 347.418 3.839 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccccc1OC(C)C ZINC000489470595 1031554764 /nfs/dbraw/zinc/55/47/64/1031554764.db2.gz MMCNCXNOYORICQ-UHFFFAOYSA-N 1 2 334.485 3.887 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1OC(C)C ZINC000489470595 1031554775 /nfs/dbraw/zinc/55/47/75/1031554775.db2.gz MMCNCXNOYORICQ-UHFFFAOYSA-N 1 2 334.485 3.887 20 0 EHADLO COc1cc(N2CCN(c3[nH+]ccc4ccccc43)CC2)ccc1F ZINC000528008520 1031581473 /nfs/dbraw/zinc/58/14/73/1031581473.db2.gz FJXMXESALQKXBS-UHFFFAOYSA-N 1 2 337.398 3.709 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000060467321 1031638315 /nfs/dbraw/zinc/63/83/15/1031638315.db2.gz OJKCTBWAGJPDIH-ZDUSSCGKSA-N 1 2 335.904 3.984 20 0 EHADLO Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000278613893 1031651986 /nfs/dbraw/zinc/65/19/86/1031651986.db2.gz GWKNKHBDCVURBR-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000278613893 1031652000 /nfs/dbraw/zinc/65/20/00/1031652000.db2.gz GWKNKHBDCVURBR-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CC(C)c1cc(NC[C@@H](n2cccn2)C(F)(F)F)nc(C(C)C)[nH+]1 ZINC000528083333 1031678420 /nfs/dbraw/zinc/67/84/20/1031678420.db2.gz UBWNPIRSHOJUKI-CYBMUJFWSA-N 1 2 341.381 3.557 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000528092601 1031691358 /nfs/dbraw/zinc/69/13/58/1031691358.db2.gz HVXVHZYBTTUGSL-AWEZNQCLSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000528092601 1031691368 /nfs/dbraw/zinc/69/13/68/1031691368.db2.gz HVXVHZYBTTUGSL-AWEZNQCLSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)sc1C ZINC000343626324 1031694776 /nfs/dbraw/zinc/69/47/76/1031694776.db2.gz ZHCSNOQRSDNLEV-UHFFFAOYSA-N 1 2 338.480 3.762 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000179079152 1031729151 /nfs/dbraw/zinc/72/91/51/1031729151.db2.gz QOFALABDIQDYEU-UHFFFAOYSA-N 1 2 343.858 3.611 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000179079152 1031729164 /nfs/dbraw/zinc/72/91/64/1031729164.db2.gz QOFALABDIQDYEU-UHFFFAOYSA-N 1 2 343.858 3.611 20 0 EHADLO CC(C)(CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1=CCCCC1 ZINC000475740322 1031738948 /nfs/dbraw/zinc/73/89/48/1031738948.db2.gz RAPQSXJEXROAGL-MRXNPFEDSA-N 1 2 344.503 3.624 20 0 EHADLO CC(C)(CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1=CCCCC1 ZINC000475740322 1031738963 /nfs/dbraw/zinc/73/89/63/1031738963.db2.gz RAPQSXJEXROAGL-MRXNPFEDSA-N 1 2 344.503 3.624 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613178904 1031741127 /nfs/dbraw/zinc/74/11/27/1031741127.db2.gz GUZKGTJCPBIHLU-YJBOKZPZSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613178904 1031741136 /nfs/dbraw/zinc/74/11/36/1031741136.db2.gz GUZKGTJCPBIHLU-YJBOKZPZSA-N 1 2 344.842 3.514 20 0 EHADLO [NH3+][C@@H](c1nc(CC2CCCC2)no1)c1ccccc1C(F)(F)F ZINC000904121722 1031757585 /nfs/dbraw/zinc/75/75/85/1031757585.db2.gz VIWDBXBELSZCLO-CQSZACIVSA-N 1 2 325.334 3.869 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3sccc3Cl)n2)c1 ZINC000278637698 1031774693 /nfs/dbraw/zinc/77/46/93/1031774693.db2.gz FWDYERROFVVQNT-SNVBAGLBSA-N 1 2 333.848 3.741 20 0 EHADLO COc1ccc(CC[C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117632881 1031785188 /nfs/dbraw/zinc/78/51/88/1031785188.db2.gz ZRNKSNNGESZIIL-INIZCTEOSA-N 1 2 349.434 3.632 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)sc1C ZINC000086233245 1031814144 /nfs/dbraw/zinc/81/41/44/1031814144.db2.gz OWXMPFNGUQWHJV-NSHDSACASA-N 1 2 333.457 3.771 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)sc1C ZINC000086233245 1031814167 /nfs/dbraw/zinc/81/41/67/1031814167.db2.gz OWXMPFNGUQWHJV-NSHDSACASA-N 1 2 333.457 3.771 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1F ZINC000086232950 1031814245 /nfs/dbraw/zinc/81/42/45/1031814245.db2.gz SPHAQADAVVTEDQ-CQSZACIVSA-N 1 2 330.403 3.569 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1F ZINC000086232950 1031814264 /nfs/dbraw/zinc/81/42/64/1031814264.db2.gz SPHAQADAVVTEDQ-CQSZACIVSA-N 1 2 330.403 3.569 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000477731302 1031814473 /nfs/dbraw/zinc/81/44/73/1031814473.db2.gz JYNAPXASDRHXRH-IBGZPJMESA-N 1 2 339.439 3.568 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(Cc2cccc(Cl)c2)CC1 ZINC000448891358 1031840740 /nfs/dbraw/zinc/84/07/40/1031840740.db2.gz RJQWIGADEGKYAD-HNNXBMFYSA-N 1 2 343.858 3.792 20 0 EHADLO COc1ccc(C[C@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000180380589 1031845904 /nfs/dbraw/zinc/84/59/04/1031845904.db2.gz TXXBCLZRPLUISI-ZDUSSCGKSA-N 1 2 342.439 3.841 20 0 EHADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928509 1031903608 /nfs/dbraw/zinc/90/36/08/1031903608.db2.gz MSDFRRRYUGKUKL-OKZBNKHCSA-N 1 2 327.472 3.514 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1cn(-c2ccccc2)nn1 ZINC000181339131 1031972825 /nfs/dbraw/zinc/97/28/25/1031972825.db2.gz MGLJNIHMWMZTEM-QWHCGFSZSA-N 1 2 327.819 3.728 20 0 EHADLO Cc1ccnc(C(C)(C)c2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000528264603 1031985506 /nfs/dbraw/zinc/98/55/06/1031985506.db2.gz VRTWAXXUOTYEFY-KRWDZBQOSA-N 1 2 336.439 3.750 20 0 EHADLO COCCCC[N@H+](Cc1nnc(C2CCC2)n1C)Cc1ccccc1 ZINC000181144132 1031988490 /nfs/dbraw/zinc/98/84/90/1031988490.db2.gz NYAKOOPBNDANNV-UHFFFAOYSA-N 1 2 342.487 3.511 20 0 EHADLO COCCCC[N@@H+](Cc1nnc(C2CCC2)n1C)Cc1ccccc1 ZINC000181144132 1031988504 /nfs/dbraw/zinc/98/85/04/1031988504.db2.gz NYAKOOPBNDANNV-UHFFFAOYSA-N 1 2 342.487 3.511 20 0 EHADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(O)c3)n2)ccc1F ZINC000181492098 1031997343 /nfs/dbraw/zinc/99/73/43/1031997343.db2.gz WLFLMIPOPWYQOE-GFCCVEGCSA-N 1 2 327.359 3.741 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)[C@H](C)c2cccs2)o1 ZINC000159314758 1032008378 /nfs/dbraw/zinc/00/83/78/1032008378.db2.gz SZANOPXHWOJCPJ-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)[C@H](C)c2cccs2)o1 ZINC000159314758 1032008393 /nfs/dbraw/zinc/00/83/93/1032008393.db2.gz SZANOPXHWOJCPJ-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2C=CCCC2)C[C@H](C)O1 ZINC000158744022 1033295083 /nfs/dbraw/zinc/29/50/83/1033295083.db2.gz ICIIBXRMNFTQBC-JZXOWHBKSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2C=CCCC2)C[C@H](C)O1 ZINC000158744022 1033295098 /nfs/dbraw/zinc/29/50/98/1033295098.db2.gz ICIIBXRMNFTQBC-JZXOWHBKSA-N 1 2 343.471 3.526 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC000574566546 1033299553 /nfs/dbraw/zinc/29/95/53/1033299553.db2.gz WNQVUUFUTWIQPB-OXFYSEKESA-N 1 2 325.456 3.875 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000173425965 1033301317 /nfs/dbraw/zinc/30/13/17/1033301317.db2.gz BEDPGNRWYIKRHL-HNNXBMFYSA-N 1 2 326.535 3.744 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000173425965 1033301332 /nfs/dbraw/zinc/30/13/32/1033301332.db2.gz BEDPGNRWYIKRHL-HNNXBMFYSA-N 1 2 326.535 3.744 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)nn1 ZINC000685426823 1033319229 /nfs/dbraw/zinc/31/92/29/1033319229.db2.gz GOAMUGPNSLOVCE-UONOGXRCSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)nn1 ZINC000685426823 1033319245 /nfs/dbraw/zinc/31/92/45/1033319245.db2.gz GOAMUGPNSLOVCE-UONOGXRCSA-N 1 2 338.377 3.739 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1nccc2ccccc21 ZINC000685436312 1033324367 /nfs/dbraw/zinc/32/43/67/1033324367.db2.gz XZXZADLAXNMFDI-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1nccc2ccccc21 ZINC000685436312 1033324378 /nfs/dbraw/zinc/32/43/78/1033324378.db2.gz XZXZADLAXNMFDI-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000685444775 1033335475 /nfs/dbraw/zinc/33/54/75/1033335475.db2.gz KBWREHFVLCUPOX-VIFPVBQESA-N 1 2 343.267 3.785 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000685444775 1033335487 /nfs/dbraw/zinc/33/54/87/1033335487.db2.gz KBWREHFVLCUPOX-VIFPVBQESA-N 1 2 343.267 3.785 20 0 EHADLO CCC[C@@H](CC(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000449872863 1033350687 /nfs/dbraw/zinc/35/06/87/1033350687.db2.gz RZOGUHUIXNXOKV-ROUUACIJSA-N 1 2 331.504 3.749 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001142538321 1033356210 /nfs/dbraw/zinc/35/62/10/1033356210.db2.gz GCTACSPGFVZXHD-YGRLFVJLSA-N 1 2 334.769 3.755 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001142538321 1033356224 /nfs/dbraw/zinc/35/62/24/1033356224.db2.gz GCTACSPGFVZXHD-YGRLFVJLSA-N 1 2 334.769 3.755 20 0 EHADLO C[C@@H]1C[C@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@H]2C)CCO1 ZINC001168113506 1033372484 /nfs/dbraw/zinc/37/24/84/1033372484.db2.gz GUDOPSBBCYBPAO-JFIYKMOQSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1C[C@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@H]2C)CCO1 ZINC001168113506 1033372500 /nfs/dbraw/zinc/37/25/00/1033372500.db2.gz GUDOPSBBCYBPAO-JFIYKMOQSA-N 1 2 347.503 3.534 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120167879 1033407977 /nfs/dbraw/zinc/40/79/77/1033407977.db2.gz RSKIYVYMYBJBGV-KRWDZBQOSA-N 1 2 349.862 3.536 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120167879 1033407989 /nfs/dbraw/zinc/40/79/89/1033407989.db2.gz RSKIYVYMYBJBGV-KRWDZBQOSA-N 1 2 349.862 3.536 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(c3cccc(F)c3)CC2)n1 ZINC000898312522 1033448650 /nfs/dbraw/zinc/44/86/50/1033448650.db2.gz HEHYITGBTMPRGK-UHFFFAOYSA-N 1 2 347.459 3.794 20 0 EHADLO COc1cccc([C@H]([NH2+]Cc2cn[nH]c2)c2ccccc2Cl)c1 ZINC000608058801 1033474055 /nfs/dbraw/zinc/47/40/55/1033474055.db2.gz GMORQUUAOHWNBD-SFHVURJKSA-N 1 2 327.815 3.951 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(-c2ccccc2Cl)on1 ZINC000460336748 1033494658 /nfs/dbraw/zinc/49/46/58/1033494658.db2.gz VYLQSBNUZOQWAL-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001168287759 1033496750 /nfs/dbraw/zinc/49/67/50/1033496750.db2.gz MNJLOEQMXDECON-IBGZPJMESA-N 1 2 345.446 3.542 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCn3c(-c4ccccc4)cnc3C1)C2 ZINC001168287759 1033496770 /nfs/dbraw/zinc/49/67/70/1033496770.db2.gz MNJLOEQMXDECON-IBGZPJMESA-N 1 2 345.446 3.542 20 0 EHADLO CN(c1ccccc1)c1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001168292121 1033538916 /nfs/dbraw/zinc/53/89/16/1033538916.db2.gz ALJLTCGSXYDYGZ-KRWDZBQOSA-N 1 2 332.407 3.526 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000449986639 1033553406 /nfs/dbraw/zinc/55/34/06/1033553406.db2.gz BNERSNKFMIJFKI-IAGOWNOFSA-N 1 2 325.456 3.747 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nc(C3CCCC3)no2)c(C)[nH+]1 ZINC000177595358 1033569274 /nfs/dbraw/zinc/56/92/74/1033569274.db2.gz UVXCLHAPZRAMQM-UHFFFAOYSA-N 1 2 328.416 3.619 20 0 EHADLO Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574819336 1033572414 /nfs/dbraw/zinc/57/24/14/1033572414.db2.gz BUIPRMZRFXUQMH-QGZVFWFLSA-N 1 2 348.450 3.521 20 0 EHADLO Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574819336 1033572424 /nfs/dbraw/zinc/57/24/24/1033572424.db2.gz BUIPRMZRFXUQMH-QGZVFWFLSA-N 1 2 348.450 3.521 20 0 EHADLO COc1cccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000144121405 1033598238 /nfs/dbraw/zinc/59/82/38/1033598238.db2.gz ZSMBVAGLVPDLSV-UHFFFAOYSA-N 1 2 346.456 3.782 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000603426869 1033621120 /nfs/dbraw/zinc/62/11/20/1033621120.db2.gz AQMBRHGUVPBWOI-INIZCTEOSA-N 1 2 331.481 3.609 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000603426869 1033621129 /nfs/dbraw/zinc/62/11/29/1033621129.db2.gz AQMBRHGUVPBWOI-INIZCTEOSA-N 1 2 331.481 3.609 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC(CF)(CF)C1 ZINC000595026075 1033628771 /nfs/dbraw/zinc/62/87/71/1033628771.db2.gz CMRSHMDWOOYWFK-MRXNPFEDSA-N 1 2 339.426 3.617 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000608355523 1033631188 /nfs/dbraw/zinc/63/11/88/1033631188.db2.gz PTKLZVLDNDJVCS-CQSZACIVSA-N 1 2 339.826 3.946 20 0 EHADLO CC(C)c1cc(Cl)ccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529245000 1033645318 /nfs/dbraw/zinc/64/53/18/1033645318.db2.gz PHYSHOFWWHZCIB-ZDUSSCGKSA-N 1 2 332.835 3.796 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1C2CCCC1CCC2 ZINC000608394596 1033648019 /nfs/dbraw/zinc/64/80/19/1033648019.db2.gz WBRCJPMJHMBJAX-UHFFFAOYSA-N 1 2 338.455 3.548 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1F ZINC000669684483 1033675507 /nfs/dbraw/zinc/67/55/07/1033675507.db2.gz MIGNEJCGBJVQCO-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651646 1033680516 /nfs/dbraw/zinc/68/05/16/1033680516.db2.gz UACLPWCGIVPNLZ-DOTOQJQBSA-N 1 2 334.423 3.819 20 0 EHADLO COc1cccc(C[NH2+]Cc2c(F)cccc2OC(F)F)c1F ZINC000669682783 1033689861 /nfs/dbraw/zinc/68/98/61/1033689861.db2.gz IZERODLOOIYQPU-UHFFFAOYSA-N 1 2 329.293 3.865 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410662 1033697364 /nfs/dbraw/zinc/69/73/64/1033697364.db2.gz MFJUHDQRTNWENX-CRAIPNDOSA-N 1 2 344.434 3.595 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000063790337 1033699593 /nfs/dbraw/zinc/69/95/93/1033699593.db2.gz AKMBRQMOFYPLSO-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO CC(C)c1ccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000550611130 1033729747 /nfs/dbraw/zinc/72/97/47/1033729747.db2.gz XQEMCJMFVSFDLC-QGZVFWFLSA-N 1 2 326.469 3.911 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000595350902 1033731330 /nfs/dbraw/zinc/73/13/30/1033731330.db2.gz LAGJCLDBLLRFJY-SNVBAGLBSA-N 1 2 335.698 3.825 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000595350902 1033731346 /nfs/dbraw/zinc/73/13/46/1033731346.db2.gz LAGJCLDBLLRFJY-SNVBAGLBSA-N 1 2 335.698 3.825 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCSc1cccc(OC)c1)C2 ZINC000595310801 1033738953 /nfs/dbraw/zinc/73/89/53/1033738953.db2.gz FQZSVICUUULAAQ-UHFFFAOYSA-N 1 2 343.448 3.590 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCSc1cccc(OC)c1)C2 ZINC000595310801 1033738971 /nfs/dbraw/zinc/73/89/71/1033738971.db2.gz FQZSVICUUULAAQ-UHFFFAOYSA-N 1 2 343.448 3.590 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@@H](c3cccs3)C3CC3)no2)c1 ZINC000574957550 1033740635 /nfs/dbraw/zinc/74/06/35/1033740635.db2.gz FFDIQXANNPQFAZ-MRXNPFEDSA-N 1 2 326.425 3.742 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]C(C)(C)c3nccs3)on2)cc1 ZINC000608563723 1033765069 /nfs/dbraw/zinc/76/50/69/1033765069.db2.gz FEHGAJRWCYNJEX-UHFFFAOYSA-N 1 2 329.425 3.832 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000595415687 1033790731 /nfs/dbraw/zinc/79/07/31/1033790731.db2.gz MVRZETVHWFZCDF-CYBMUJFWSA-N 1 2 345.443 3.533 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3noc4c3CCCC4)CC2)cc1 ZINC000595556582 1033860951 /nfs/dbraw/zinc/86/09/51/1033860951.db2.gz JDORBSJYQODDFF-UHFFFAOYSA-N 1 2 338.451 3.957 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCc2cc3ccccc3s2)c[nH+]1 ZINC000575092278 1033873149 /nfs/dbraw/zinc/87/31/49/1033873149.db2.gz WJCPXXHKZVQADI-UHFFFAOYSA-N 1 2 339.464 3.955 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000120505066 1033906912 /nfs/dbraw/zinc/90/69/12/1033906912.db2.gz IVELOZOWRJVHRL-MRXNPFEDSA-N 1 2 345.512 3.953 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000120505066 1033906918 /nfs/dbraw/zinc/90/69/18/1033906918.db2.gz IVELOZOWRJVHRL-MRXNPFEDSA-N 1 2 345.512 3.953 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120526337 1033912581 /nfs/dbraw/zinc/91/25/81/1033912581.db2.gz KSFDJOLZQKEHBA-GOSISDBHSA-N 1 2 344.842 3.738 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2cnns2)cc1OC ZINC000450219639 1033923636 /nfs/dbraw/zinc/92/36/36/1033923636.db2.gz DIEDCULXVRRHPH-UHFFFAOYSA-N 1 2 335.473 3.748 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2cnns2)cc1OC ZINC000450219639 1033923648 /nfs/dbraw/zinc/92/36/48/1033923648.db2.gz DIEDCULXVRRHPH-UHFFFAOYSA-N 1 2 335.473 3.748 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000608856925 1033934807 /nfs/dbraw/zinc/93/48/07/1033934807.db2.gz JFPXUUDKVOEETM-LBPRGKRZSA-N 1 2 333.453 3.687 20 0 EHADLO COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000608856925 1033934810 /nfs/dbraw/zinc/93/48/10/1033934810.db2.gz JFPXUUDKVOEETM-LBPRGKRZSA-N 1 2 333.453 3.687 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)CN(c1cc(N2CCCCC2)[nH+]cn1)CC3 ZINC000599456989 1033940520 /nfs/dbraw/zinc/94/05/20/1033940520.db2.gz HVKOSYUYXFCYSP-UHFFFAOYSA-N 1 2 347.466 3.819 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)CN(c1cc(N2CCCCC2)nc[nH+]1)CC3 ZINC000599456989 1033940529 /nfs/dbraw/zinc/94/05/29/1033940529.db2.gz HVKOSYUYXFCYSP-UHFFFAOYSA-N 1 2 347.466 3.819 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3C[C@@H](C)n4ncnc43)oc21 ZINC000658101913 1033950609 /nfs/dbraw/zinc/95/06/09/1033950609.db2.gz NEFBWPDHUBPRRS-MBNYWOFBSA-N 1 2 326.400 3.780 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2cccnc2N2CCCC2)c2ccccn2)cc1 ZINC000658103976 1033951153 /nfs/dbraw/zinc/95/11/53/1033951153.db2.gz NIHZVBFDCLWSOF-OAQYLSRUSA-N 1 2 344.462 3.956 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000171024398 1033966958 /nfs/dbraw/zinc/96/69/58/1033966958.db2.gz SGWLKSYOSMJPLJ-INIZCTEOSA-N 1 2 334.464 3.546 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000171024398 1033966973 /nfs/dbraw/zinc/96/69/73/1033966973.db2.gz SGWLKSYOSMJPLJ-INIZCTEOSA-N 1 2 334.464 3.546 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000516849773 1033971800 /nfs/dbraw/zinc/97/18/00/1033971800.db2.gz MPHXXVRGZXSUFV-GDBMZVCRSA-N 1 2 346.862 3.599 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1cccc(Cl)c1 ZINC000658119364 1033977167 /nfs/dbraw/zinc/97/71/67/1033977167.db2.gz NUKRSYZBDLCNPT-MRXNPFEDSA-N 1 2 335.831 3.835 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000455971257 1033987036 /nfs/dbraw/zinc/98/70/36/1033987036.db2.gz ZCEAPJPUICKTQT-INIZCTEOSA-N 1 2 341.459 3.805 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000455971258 1033987112 /nfs/dbraw/zinc/98/71/12/1033987112.db2.gz ZCEAPJPUICKTQT-MRXNPFEDSA-N 1 2 341.459 3.805 20 0 EHADLO Fc1cc2[nH+]ccc(NC3CCOCC3)c2cc1Br ZINC000450263086 1034005857 /nfs/dbraw/zinc/00/58/57/1034005857.db2.gz ATUAQOTUSGBHFQ-UHFFFAOYSA-N 1 2 325.181 3.727 20 0 EHADLO CC(C)c1nnc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000892426972 1034062582 /nfs/dbraw/zinc/06/25/82/1034062582.db2.gz XVBMGPPCYALQLG-ZDUSSCGKSA-N 1 2 336.530 3.650 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCSc3c(F)cccc32)c1 ZINC000596075580 1034071201 /nfs/dbraw/zinc/07/12/01/1034071201.db2.gz HUGCMOOMXWQXQP-AWEZNQCLSA-N 1 2 332.400 3.585 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)cc(C)[nH+]1 ZINC000529496901 1034074346 /nfs/dbraw/zinc/07/43/46/1034074346.db2.gz LHMRHCOXFSIWLL-CGTJXYLNSA-N 1 2 326.827 3.554 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000596085114 1034076514 /nfs/dbraw/zinc/07/65/14/1034076514.db2.gz AGBGCYXKUAPBAZ-MRXNPFEDSA-N 1 2 344.842 3.662 20 0 EHADLO CC(C)C(=O)N1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450307872 1034078956 /nfs/dbraw/zinc/07/89/56/1034078956.db2.gz HZAVQTVLXJDGOW-UHFFFAOYSA-N 1 2 349.837 3.722 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cs1 ZINC000599699903 1034103082 /nfs/dbraw/zinc/10/30/82/1034103082.db2.gz NWOJUZNNTGAYKJ-UHFFFAOYSA-N 1 2 337.391 3.982 20 0 EHADLO CCC[N@H+](Cc1cn(CC2CC2)nn1)[C@@H](C)c1ccccc1OC ZINC000450306402 1034104806 /nfs/dbraw/zinc/10/48/06/1034104806.db2.gz SZBXZRSXKSUYJG-HNNXBMFYSA-N 1 2 328.460 3.670 20 0 EHADLO CCC[N@@H+](Cc1cn(CC2CC2)nn1)[C@@H](C)c1ccccc1OC ZINC000450306402 1034104813 /nfs/dbraw/zinc/10/48/13/1034104813.db2.gz SZBXZRSXKSUYJG-HNNXBMFYSA-N 1 2 328.460 3.670 20 0 EHADLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000450318914 1034126486 /nfs/dbraw/zinc/12/64/86/1034126486.db2.gz XKAQWDCBVDZSCC-GOEBONIOSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1csc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000450318914 1034126495 /nfs/dbraw/zinc/12/64/95/1034126495.db2.gz XKAQWDCBVDZSCC-GOEBONIOSA-N 1 2 336.407 3.510 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C12CCC2 ZINC000658252264 1034133455 /nfs/dbraw/zinc/13/34/55/1034133455.db2.gz IMHALSULWFRHHB-GVDBMIGSSA-N 1 2 340.471 3.610 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cs1 ZINC000892431482 1034153485 /nfs/dbraw/zinc/15/34/85/1034153485.db2.gz QQLLDOVYODKWTB-GFCCVEGCSA-N 1 2 345.390 3.682 20 0 EHADLO C[C@@H](CNc1cc[nH+]c2cc(F)c(Br)cc12)C[C@H](C)O ZINC000450348047 1034158222 /nfs/dbraw/zinc/15/82/22/1034158222.db2.gz KQIMZKNVBVZRMI-ZJUUUORDSA-N 1 2 341.224 3.955 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000537616065 1034158931 /nfs/dbraw/zinc/15/89/31/1034158931.db2.gz IRSYMOPMKCOSFC-SCLBCKFNSA-N 1 2 329.371 3.516 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000537616065 1034158940 /nfs/dbraw/zinc/15/89/40/1034158940.db2.gz IRSYMOPMKCOSFC-SCLBCKFNSA-N 1 2 329.371 3.516 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000120803342 1034168960 /nfs/dbraw/zinc/16/89/60/1034168960.db2.gz XWERHYFHWMCWKB-UHFFFAOYSA-N 1 2 325.437 3.887 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000120803342 1034168974 /nfs/dbraw/zinc/16/89/74/1034168974.db2.gz XWERHYFHWMCWKB-UHFFFAOYSA-N 1 2 325.437 3.887 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560092 1034172734 /nfs/dbraw/zinc/17/27/34/1034172734.db2.gz YCOFLAKHPCNNES-UHIISALHSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560092 1034172743 /nfs/dbraw/zinc/17/27/43/1034172743.db2.gz YCOFLAKHPCNNES-UHIISALHSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000529554440 1034187190 /nfs/dbraw/zinc/18/71/90/1034187190.db2.gz BCIXYGPXSZOQNQ-LALPHHSUSA-N 1 2 349.418 3.925 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000529554440 1034187198 /nfs/dbraw/zinc/18/71/98/1034187198.db2.gz BCIXYGPXSZOQNQ-LALPHHSUSA-N 1 2 349.418 3.925 20 0 EHADLO c1n[nH]c([C@H]([NH2+]CCc2nsc3ccccc23)C2CCCCC2)n1 ZINC000658315891 1034191540 /nfs/dbraw/zinc/19/15/40/1034191540.db2.gz WWTIEYGLKFIDPN-QGZVFWFLSA-N 1 2 341.484 3.868 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(F)cc1OC ZINC000529565439 1034214968 /nfs/dbraw/zinc/21/49/68/1034214968.db2.gz KPPGWWSXGGVEPM-KRWDZBQOSA-N 1 2 330.403 3.965 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c(F)cc1OC ZINC000529565439 1034214980 /nfs/dbraw/zinc/21/49/80/1034214980.db2.gz KPPGWWSXGGVEPM-KRWDZBQOSA-N 1 2 330.403 3.965 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000450392324 1034230744 /nfs/dbraw/zinc/23/07/44/1034230744.db2.gz PBHMOCULVRUGDS-UHFFFAOYSA-N 1 2 339.439 3.744 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000529594569 1034236044 /nfs/dbraw/zinc/23/60/44/1034236044.db2.gz LMKXFBDCFAETIT-ZDUSSCGKSA-N 1 2 347.684 3.744 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000529594569 1034236061 /nfs/dbraw/zinc/23/60/61/1034236061.db2.gz LMKXFBDCFAETIT-ZDUSSCGKSA-N 1 2 347.684 3.744 20 0 EHADLO CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccs1 ZINC000089101143 1034255748 /nfs/dbraw/zinc/25/57/48/1034255748.db2.gz BWECXSDVRXHQGS-UHFFFAOYSA-N 1 2 347.465 3.925 20 0 EHADLO CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccs1 ZINC000089101143 1034255761 /nfs/dbraw/zinc/25/57/61/1034255761.db2.gz BWECXSDVRXHQGS-UHFFFAOYSA-N 1 2 347.465 3.925 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccsc1Br ZINC000529603052 1034276702 /nfs/dbraw/zinc/27/67/02/1034276702.db2.gz UXLOBSPPLWDQGA-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccsc1Br ZINC000529603052 1034276713 /nfs/dbraw/zinc/27/67/13/1034276713.db2.gz UXLOBSPPLWDQGA-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO C[C@@H](CNC(=O)CCCc1csc2ccccc12)Cn1cc[nH+]c1 ZINC000119956255 1034280623 /nfs/dbraw/zinc/28/06/23/1034280623.db2.gz CAWSPDYRDPNMFA-HNNXBMFYSA-N 1 2 341.480 3.873 20 0 EHADLO CNc1snc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000101861294 1034286707 /nfs/dbraw/zinc/28/67/07/1034286707.db2.gz CDIYZMCCWOGQPT-UHFFFAOYSA-N 1 2 347.831 3.585 20 0 EHADLO C[C@@H]1COCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450406224 1034287625 /nfs/dbraw/zinc/28/76/25/1034287625.db2.gz PXAJURHDMZFGCM-JTQLQIEISA-N 1 2 339.208 3.609 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000604267754 1034309640 /nfs/dbraw/zinc/30/96/40/1034309640.db2.gz GCJWMUKAGDMHLM-INIZCTEOSA-N 1 2 341.455 3.591 20 0 EHADLO O=C(CCC[N@@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000450452002 1034360755 /nfs/dbraw/zinc/36/07/55/1034360755.db2.gz GTCBCEHLBQQCFH-LJQANCHMSA-N 1 2 327.399 3.862 20 0 EHADLO O=C(CCC[N@H+]1CCOC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000450452002 1034360767 /nfs/dbraw/zinc/36/07/67/1034360767.db2.gz GTCBCEHLBQQCFH-LJQANCHMSA-N 1 2 327.399 3.862 20 0 EHADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)c2ccccc21 ZINC000359199579 1034430910 /nfs/dbraw/zinc/43/09/10/1034430910.db2.gz QLHBJDASNBRTIU-LBPRGKRZSA-N 1 2 342.830 3.787 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000669717702 1034440378 /nfs/dbraw/zinc/44/03/78/1034440378.db2.gz WIPOGFQQJVASRY-LJQANCHMSA-N 1 2 331.410 3.666 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000669717702 1034440382 /nfs/dbraw/zinc/44/03/82/1034440382.db2.gz WIPOGFQQJVASRY-LJQANCHMSA-N 1 2 331.410 3.666 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2c(cccc2F)s1 ZINC000075713694 1034493002 /nfs/dbraw/zinc/49/30/02/1034493002.db2.gz PWAMTCLBRQBITK-UHFFFAOYSA-N 1 2 343.427 3.546 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc3c(c2)C=CCCC3)c(C)[nH+]1 ZINC000658679815 1034508585 /nfs/dbraw/zinc/50/85/85/1034508585.db2.gz CHECZYMXTFPWBN-UHFFFAOYSA-N 1 2 349.434 3.934 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000450653940 1034643122 /nfs/dbraw/zinc/64/31/22/1034643122.db2.gz WLZZHUNOZJIEDY-GFCCVEGCSA-N 1 2 330.444 3.635 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000605156435 1034654569 /nfs/dbraw/zinc/65/45/69/1034654569.db2.gz UXGDCROFPQNMOO-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000605156435 1034654576 /nfs/dbraw/zinc/65/45/76/1034654576.db2.gz UXGDCROFPQNMOO-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000450666322 1034666546 /nfs/dbraw/zinc/66/65/46/1034666546.db2.gz SGVQKHULJRGXDV-NSHDSACASA-N 1 2 342.468 3.615 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000450667684 1034668465 /nfs/dbraw/zinc/66/84/65/1034668465.db2.gz WQBAJNLRMOYZDJ-LBPRGKRZSA-N 1 2 335.473 3.920 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450679517 1034678398 /nfs/dbraw/zinc/67/83/98/1034678398.db2.gz JUTHFIDRVWQHIM-GOSISDBHSA-N 1 2 328.460 3.574 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000278788520 1034691983 /nfs/dbraw/zinc/69/19/83/1034691983.db2.gz QHHXNJADKYSVAU-SECBINFHSA-N 1 2 326.347 3.660 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccco1 ZINC000450729258 1034735487 /nfs/dbraw/zinc/73/54/87/1034735487.db2.gz RPNWVVDUCMCCRD-LJQANCHMSA-N 1 2 339.439 3.586 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000122114033 1034745911 /nfs/dbraw/zinc/74/59/11/1034745911.db2.gz TURCCLBMGVZYTC-XJKSGUPXSA-N 1 2 332.444 3.902 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000122114033 1034745921 /nfs/dbraw/zinc/74/59/21/1034745921.db2.gz TURCCLBMGVZYTC-XJKSGUPXSA-N 1 2 332.444 3.902 20 0 EHADLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000060564895 1034754277 /nfs/dbraw/zinc/75/42/77/1034754277.db2.gz PFQGBOIFHUJVMC-UHFFFAOYSA-N 1 2 349.793 3.710 20 0 EHADLO Cc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1C1CCCCC1 ZINC000456833988 1034776335 /nfs/dbraw/zinc/77/63/35/1034776335.db2.gz HHGZYBYXDHSDRU-UHFFFAOYSA-N 1 2 326.444 3.639 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450757103 1034778182 /nfs/dbraw/zinc/77/81/82/1034778182.db2.gz MUBSQGRADXBNKP-NSHDSACASA-N 1 2 345.315 3.713 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450757103 1034778194 /nfs/dbraw/zinc/77/81/94/1034778194.db2.gz MUBSQGRADXBNKP-NSHDSACASA-N 1 2 345.315 3.713 20 0 EHADLO CC(=O)c1ccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000450762153 1034782545 /nfs/dbraw/zinc/78/25/45/1034782545.db2.gz AGNQAHYSMHWEPF-HNNXBMFYSA-N 1 2 328.481 3.830 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCOc2ccc3c(c2)CCC3)c[nH+]1 ZINC000456838222 1034782806 /nfs/dbraw/zinc/78/28/06/1034782806.db2.gz LQTAVDRTRRPRFW-UHFFFAOYSA-N 1 2 338.451 3.663 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000456865691 1034799942 /nfs/dbraw/zinc/79/99/42/1034799942.db2.gz UAVCFBNTEMBMTN-UHFFFAOYSA-N 1 2 342.439 3.816 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cc(Br)ncc2F)c1 ZINC001231916317 1034803410 /nfs/dbraw/zinc/80/34/10/1034803410.db2.gz BUFACKLMPOSOQX-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cc(Br)ncc2F)c1 ZINC001231916317 1034803418 /nfs/dbraw/zinc/80/34/18/1034803418.db2.gz BUFACKLMPOSOQX-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456852855 1034809886 /nfs/dbraw/zinc/80/98/86/1034809886.db2.gz XLWDMPOWOQZSGG-UHFFFAOYSA-N 1 2 334.423 3.635 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](N3CCCCC3=O)C2)nc(C(C)C)[nH+]1 ZINC000761224339 1034811819 /nfs/dbraw/zinc/81/18/19/1034811819.db2.gz SVTPTHFANZYIFP-INIZCTEOSA-N 1 2 344.503 3.705 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC000413710861 1034878355 /nfs/dbraw/zinc/87/83/55/1034878355.db2.gz DXMANVWQSKBZDL-UHFFFAOYSA-N 1 2 346.519 3.967 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1C ZINC000121408747 1034939317 /nfs/dbraw/zinc/93/93/17/1034939317.db2.gz XHRANABQUNQWPU-IBGZPJMESA-N 1 2 327.424 3.981 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](c3ccco3)C2)c1C ZINC000121408747 1034939325 /nfs/dbraw/zinc/93/93/25/1034939325.db2.gz XHRANABQUNQWPU-IBGZPJMESA-N 1 2 327.424 3.981 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CSc1ccccc1Cl ZINC000375934473 1034950712 /nfs/dbraw/zinc/95/07/12/1034950712.db2.gz SHAKJCHTCDTAIP-UHFFFAOYSA-N 1 2 349.887 3.624 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530098915 1034960144 /nfs/dbraw/zinc/96/01/44/1034960144.db2.gz PAJIVEAVQQVBKD-KBPBESRZSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530098915 1034960159 /nfs/dbraw/zinc/96/01/59/1034960159.db2.gz PAJIVEAVQQVBKD-KBPBESRZSA-N 1 2 347.409 3.657 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@H](COC)CC1 ZINC000450941175 1034964491 /nfs/dbraw/zinc/96/44/91/1034964491.db2.gz FEVMZTFCKWPLOR-OAHLLOKOSA-N 1 2 342.439 3.664 20 0 EHADLO Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451011410 1035028355 /nfs/dbraw/zinc/02/83/55/1035028355.db2.gz ASFUJMCIAUFAJW-KRWDZBQOSA-N 1 2 343.862 3.867 20 0 EHADLO Cc1cc(C)n(CC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451011410 1035028363 /nfs/dbraw/zinc/02/83/63/1035028363.db2.gz ASFUJMCIAUFAJW-KRWDZBQOSA-N 1 2 343.862 3.867 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]CC(=O)N2CCCc3ccccc32)cs1 ZINC000065976735 1035047185 /nfs/dbraw/zinc/04/71/85/1035047185.db2.gz YYASZFJBEPPHQC-UHFFFAOYSA-N 1 2 343.496 3.510 20 0 EHADLO Cc1cccc(CCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000612552924 1035055570 /nfs/dbraw/zinc/05/55/70/1035055570.db2.gz GXMZFJWXJOTBOM-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO Cc1nc(-c2ccc(C(=O)Nc3c(C)c[nH+]cc3C)s2)cs1 ZINC001625883846 1035093678 /nfs/dbraw/zinc/09/36/78/1035093678.db2.gz FUSNZFJSUFTPAW-UHFFFAOYSA-N 1 2 329.450 3.866 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000376023148 1035136948 /nfs/dbraw/zinc/13/69/48/1035136948.db2.gz IHGPPNWWLHFLKR-KBAYOESNSA-N 1 2 329.488 3.784 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000584493411 1035148616 /nfs/dbraw/zinc/14/86/16/1035148616.db2.gz URNMWEIHLPCWHD-SFHVURJKSA-N 1 2 327.428 3.744 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000612668576 1035151181 /nfs/dbraw/zinc/15/11/81/1035151181.db2.gz FUJJKSZRZWOBGD-INMHGKMJSA-N 1 2 345.393 3.556 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376036411 1035167687 /nfs/dbraw/zinc/16/76/87/1035167687.db2.gz XYLIRIHAJDGHDU-VXGBXAGGSA-N 1 2 335.860 3.634 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376036411 1035167692 /nfs/dbraw/zinc/16/76/92/1035167692.db2.gz XYLIRIHAJDGHDU-VXGBXAGGSA-N 1 2 335.860 3.634 20 0 EHADLO CC(C)[C@H]1N(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC12CC=CC2 ZINC000636110245 1035199105 /nfs/dbraw/zinc/19/91/05/1035199105.db2.gz KSFUTOOQPRSAGR-UKRRQHHQSA-N 1 2 341.377 3.580 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1cncc(Br)c1 ZINC000177630809 1035284027 /nfs/dbraw/zinc/28/40/27/1035284027.db2.gz DDIXYWWAYZSILV-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cncc(Br)c1 ZINC000177630809 1035284034 /nfs/dbraw/zinc/28/40/34/1035284034.db2.gz DDIXYWWAYZSILV-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613016771 1035356541 /nfs/dbraw/zinc/35/65/41/1035356541.db2.gz GVZXNAMLYMIEQM-OIISXLGYSA-N 1 2 333.435 3.977 20 0 EHADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000685839641 1035379575 /nfs/dbraw/zinc/37/95/75/1035379575.db2.gz YUMUNRKHQFOGSI-GFCCVEGCSA-N 1 2 326.227 3.678 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376200023 1035407935 /nfs/dbraw/zinc/40/79/35/1035407935.db2.gz WSQAOEACQKHEAZ-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376200023 1035407937 /nfs/dbraw/zinc/40/79/37/1035407937.db2.gz WSQAOEACQKHEAZ-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CCCC2)cs1)c1ccc(F)cc1F ZINC000589032649 1035426315 /nfs/dbraw/zinc/42/63/15/1035426315.db2.gz IRTDMINFYUDFQO-UHFFFAOYSA-N 1 2 337.395 3.702 20 0 EHADLO CCc1ccc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000161742101 1035475482 /nfs/dbraw/zinc/47/54/82/1035475482.db2.gz XRSPPKDLLNLPFR-PKOBYXMFSA-N 1 2 325.456 3.521 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000173558993 1035509067 /nfs/dbraw/zinc/50/90/67/1035509067.db2.gz XHUYISONYFXSGM-WFASDCNBSA-N 1 2 337.261 3.652 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000173558993 1035509073 /nfs/dbraw/zinc/50/90/73/1035509073.db2.gz XHUYISONYFXSGM-WFASDCNBSA-N 1 2 337.261 3.652 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CCCC[C@@H]1C ZINC000511475010 1035510054 /nfs/dbraw/zinc/51/00/54/1035510054.db2.gz SISZJZBUXMKYRV-BSDSXHPESA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)Cc1ccc(/C=C\C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000492240703 1035519833 /nfs/dbraw/zinc/51/98/33/1035519833.db2.gz AGYPISQRRDMLMK-OLHLWXQYSA-N 1 2 337.467 3.648 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127246002 1035520091 /nfs/dbraw/zinc/52/00/91/1035520091.db2.gz KZPCSWQPMHHTGZ-ZIAGYGMSSA-N 1 2 332.444 3.622 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127246002 1035520109 /nfs/dbraw/zinc/52/01/09/1035520109.db2.gz KZPCSWQPMHHTGZ-ZIAGYGMSSA-N 1 2 332.444 3.622 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)s1 ZINC000414112369 1035567672 /nfs/dbraw/zinc/56/76/72/1035567672.db2.gz YCAQEUVKLXQTBH-QMTHXVAHSA-N 1 2 334.416 3.797 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000173683001 1035571922 /nfs/dbraw/zinc/57/19/22/1035571922.db2.gz QIZQAOIMDDZYSV-UHFFFAOYSA-N 1 2 342.443 3.883 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431799934 1035582944 /nfs/dbraw/zinc/58/29/44/1035582944.db2.gz VHUCRJAVPXYBIZ-POAQFYNOSA-N 1 2 337.467 3.654 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cccc(OC)c1OC ZINC000463527398 1035585311 /nfs/dbraw/zinc/58/53/11/1035585311.db2.gz PBFLCOJPWSVTSQ-UHFFFAOYSA-N 1 2 345.830 3.761 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000491298281 1035612893 /nfs/dbraw/zinc/61/28/93/1035612893.db2.gz VXZFBCAHKPQOND-LJQANCHMSA-N 1 2 330.859 3.854 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000666162620 1035675308 /nfs/dbraw/zinc/67/53/08/1035675308.db2.gz CAKWILHTASNQBB-RHSMWYFYSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC(C)(C)C1 ZINC000457072730 1035717530 /nfs/dbraw/zinc/71/75/30/1035717530.db2.gz LLYZSAWOVDRTAO-UHFFFAOYSA-N 1 2 325.456 3.971 20 0 EHADLO C[C@H](c1ccccc1F)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000613393863 1035742152 /nfs/dbraw/zinc/74/21/52/1035742152.db2.gz JXBWEQVSIYCMAW-QGZVFWFLSA-N 1 2 328.431 3.583 20 0 EHADLO CC(C)c1nnc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571891991 1035775777 /nfs/dbraw/zinc/77/57/77/1035775777.db2.gz RBRPRCRPAMDMOD-GFCCVEGCSA-N 1 2 338.864 3.556 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2cc(-c3cccs3)on2)c(C)[nH+]1 ZINC000187158095 1035778371 /nfs/dbraw/zinc/77/83/71/1035778371.db2.gz LWXHDWLJLIUURK-QFIPXVFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@](=O)[C@H](C)C(=O)Nc2cccc(C)c2C)c(C)[nH+]1 ZINC000187211647 1035786788 /nfs/dbraw/zinc/78/67/88/1035786788.db2.gz RGRQWYHVRKFKMF-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187218847 1035790923 /nfs/dbraw/zinc/79/09/23/1035790923.db2.gz KFHAAHKINBBLNP-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cccc(Br)c2)sn1 ZINC000404193781 1035846285 /nfs/dbraw/zinc/84/62/85/1035846285.db2.gz MAOSUXQHICEROJ-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cccc(Br)c2)sn1 ZINC000404193781 1035846300 /nfs/dbraw/zinc/84/63/00/1035846300.db2.gz MAOSUXQHICEROJ-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Br)ccc1F ZINC000414171258 1035875618 /nfs/dbraw/zinc/87/56/18/1035875618.db2.gz CZCOOEYRHFNOCE-ZJUUUORDSA-N 1 2 326.213 3.734 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccnn3[C@@H](C)CC(C)C)[nH+]c12 ZINC000588361985 1035920626 /nfs/dbraw/zinc/92/06/26/1035920626.db2.gz ODOWMZDZLGMSAY-HNNXBMFYSA-N 1 2 339.443 3.628 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(F)c(F)c1O)c1ccccc1 ZINC000457293982 1035925139 /nfs/dbraw/zinc/92/51/39/1035925139.db2.gz MRCQMJRSEDKZML-MRXNPFEDSA-N 1 2 334.366 3.692 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000541054236 1035929501 /nfs/dbraw/zinc/92/95/01/1035929501.db2.gz KZSCKQZMGBLUHF-INIZCTEOSA-N 1 2 343.814 3.522 20 0 EHADLO COCCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672187 1035932035 /nfs/dbraw/zinc/93/20/35/1035932035.db2.gz LMFYBGCKLYYGJF-HXUWFJFHSA-N 1 2 344.886 3.693 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189188372 1036028437 /nfs/dbraw/zinc/02/84/37/1036028437.db2.gz QWYAPUDNACOUDS-GUYCJALGSA-N 1 2 336.863 3.558 20 0 EHADLO CCN(C(=O)C[N@H+](Cc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000613483137 1036029935 /nfs/dbraw/zinc/02/99/35/1036029935.db2.gz KHUOPZDDRCDMCF-UHFFFAOYSA-N 1 2 326.415 3.843 20 0 EHADLO CCN(C(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000613483137 1036029947 /nfs/dbraw/zinc/02/99/47/1036029947.db2.gz KHUOPZDDRCDMCF-UHFFFAOYSA-N 1 2 326.415 3.843 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccccc2Br)cc1O ZINC000174628232 1036035091 /nfs/dbraw/zinc/03/50/91/1036035091.db2.gz CLSQAFSNQLAWDG-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccccc2Br)cc1O ZINC000174628232 1036035113 /nfs/dbraw/zinc/03/51/13/1036035113.db2.gz CLSQAFSNQLAWDG-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000613484351 1036036143 /nfs/dbraw/zinc/03/61/43/1036036143.db2.gz ABRFDGKWPJCJJR-TXPKVOOTSA-N 1 2 344.499 3.601 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000613484351 1036036160 /nfs/dbraw/zinc/03/61/60/1036036160.db2.gz ABRFDGKWPJCJJR-TXPKVOOTSA-N 1 2 344.499 3.601 20 0 EHADLO CCc1ccc(/C=C\C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000492636460 1036101377 /nfs/dbraw/zinc/10/13/77/1036101377.db2.gz WLHNUCYGPVSXRJ-FPLPWBNLSA-N 1 2 341.455 3.771 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000170719079 1036137975 /nfs/dbraw/zinc/13/79/75/1036137975.db2.gz VQJQSNADHWZYEU-HOTGVXAUSA-N 1 2 342.405 3.918 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000170719079 1036137982 /nfs/dbraw/zinc/13/79/82/1036137982.db2.gz VQJQSNADHWZYEU-HOTGVXAUSA-N 1 2 342.405 3.918 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414234244 1036216487 /nfs/dbraw/zinc/21/64/87/1036216487.db2.gz GBYUADJZUYYYII-ZDUSSCGKSA-N 1 2 337.345 3.807 20 0 EHADLO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000175065948 1036225228 /nfs/dbraw/zinc/22/52/28/1036225228.db2.gz FWZNHENCEKTEQZ-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000175065948 1036225243 /nfs/dbraw/zinc/22/52/43/1036225243.db2.gz FWZNHENCEKTEQZ-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO CCCN(Cc1c[nH+]c2c(C)cc(Br)cn12)CC(F)F ZINC000542464306 1036228714 /nfs/dbraw/zinc/22/87/14/1036228714.db2.gz QEBUUNQEEZDOAY-UHFFFAOYSA-N 1 2 346.219 3.882 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H](C)CC(F)(F)F)c1)[NH+]1CCOCC1 ZINC000457532435 1036229012 /nfs/dbraw/zinc/22/90/12/1036229012.db2.gz HYMNBHDZQGIFAL-QWHCGFSZSA-N 1 2 344.377 3.607 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000535261052 1036251085 /nfs/dbraw/zinc/25/10/85/1036251085.db2.gz LJKPHEFVGKSGSR-WBVHZDCISA-N 1 2 335.517 3.544 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccsc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000929679019 1036255955 /nfs/dbraw/zinc/25/59/55/1036255955.db2.gz PZCKQXJJAUILQE-CQSZACIVSA-N 1 2 336.407 3.815 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccsc2C(F)F)[C@@H](c2ccccc2)C1 ZINC000929679019 1036255976 /nfs/dbraw/zinc/25/59/76/1036255976.db2.gz PZCKQXJJAUILQE-CQSZACIVSA-N 1 2 336.407 3.815 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000457561347 1036256016 /nfs/dbraw/zinc/25/60/16/1036256016.db2.gz ZHCQDAHRJNSAKV-HNNXBMFYSA-N 1 2 339.430 3.760 20 0 EHADLO CC[C@H](CC(F)F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000457561349 1036256443 /nfs/dbraw/zinc/25/64/43/1036256443.db2.gz ZHCQDAHRJNSAKV-OAHLLOKOSA-N 1 2 339.430 3.760 20 0 EHADLO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCO2 ZINC000376355914 1036263276 /nfs/dbraw/zinc/26/32/76/1036263276.db2.gz UIVUQUUVYIJMQM-IINYFYTJSA-N 1 2 333.334 3.520 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000535281357 1036277372 /nfs/dbraw/zinc/27/73/72/1036277372.db2.gz XPQXYIVHMCSLPO-CYBMUJFWSA-N 1 2 326.362 3.622 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000535281357 1036277388 /nfs/dbraw/zinc/27/73/88/1036277388.db2.gz XPQXYIVHMCSLPO-CYBMUJFWSA-N 1 2 326.362 3.622 20 0 EHADLO Cc1ccc2cc(S(=O)(=O)NCc3c[nH+]c(C)cc3C)ccc2c1 ZINC001212156362 1036280674 /nfs/dbraw/zinc/28/06/74/1036280674.db2.gz ZOTQGHIOIFEJRC-UHFFFAOYSA-N 1 2 340.448 3.639 20 0 EHADLO C[NH+](C)[C@@H](CNCc1ccc(Br)o1)c1ccc(F)cc1 ZINC000190798696 1036294337 /nfs/dbraw/zinc/29/43/37/1036294337.db2.gz PLGNSGGDVJHLIN-AWEZNQCLSA-N 1 2 341.224 3.574 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000589256370 1036323747 /nfs/dbraw/zinc/32/37/47/1036323747.db2.gz BRUCOMVKNFKWAG-GUYCJALGSA-N 1 2 330.428 3.612 20 0 EHADLO C[N@H+](Cc1ccsc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000589282581 1036341013 /nfs/dbraw/zinc/34/10/13/1036341013.db2.gz SLHSBKREXDNBDM-SFHVURJKSA-N 1 2 328.481 3.934 20 0 EHADLO C[N@@H+](Cc1ccsc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000589282581 1036341024 /nfs/dbraw/zinc/34/10/24/1036341024.db2.gz SLHSBKREXDNBDM-SFHVURJKSA-N 1 2 328.481 3.934 20 0 EHADLO C[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1cccc(Br)c1 ZINC000784364100 1036343212 /nfs/dbraw/zinc/34/32/12/1036343212.db2.gz LGTQELFJBUUBQN-NSHDSACASA-N 1 2 349.228 3.663 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1csc(Cl)c1 ZINC000414266535 1036362957 /nfs/dbraw/zinc/36/29/57/1036362957.db2.gz VXBIPYVGUOCBGT-SNVBAGLBSA-N 1 2 329.874 3.656 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(Br)o1 ZINC000191410595 1036378586 /nfs/dbraw/zinc/37/85/86/1036378586.db2.gz KPQHLMHUSAZQDC-UHFFFAOYSA-N 1 2 328.206 3.592 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(Br)o1 ZINC000191410595 1036378609 /nfs/dbraw/zinc/37/86/09/1036378609.db2.gz KPQHLMHUSAZQDC-UHFFFAOYSA-N 1 2 328.206 3.592 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[C@H](C)n3cc[nH+]c3)n2)CC1 ZINC000572530498 1036404510 /nfs/dbraw/zinc/40/45/10/1036404510.db2.gz DCCPUZRQBYNUQB-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2cc(Cl)ccc2C1 ZINC000191534356 1036409136 /nfs/dbraw/zinc/40/91/36/1036409136.db2.gz XNNOSLFMIJKTHV-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO CCCC[C@H](CCC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175625725 1036416835 /nfs/dbraw/zinc/41/68/35/1036416835.db2.gz MUXCHAQIYWQDBP-INIZCTEOSA-N 1 2 332.492 3.709 20 0 EHADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(C2CCCCC2)CCCCC1 ZINC000472574973 1036420291 /nfs/dbraw/zinc/42/02/91/1036420291.db2.gz STOALEJLWMZDTR-QGZVFWFLSA-N 1 2 329.488 3.845 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000191724271 1036424045 /nfs/dbraw/zinc/42/40/45/1036424045.db2.gz RHSMHHVEZQSETM-HNNXBMFYSA-N 1 2 347.422 3.627 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)ccc1C ZINC000541546819 1036427080 /nfs/dbraw/zinc/42/70/80/1036427080.db2.gz UYXPAXAXAPWINY-HXUWFJFHSA-N 1 2 337.398 3.812 20 0 EHADLO Brc1ccc(C[NH+]2CCCCCC2)c(Br)n1 ZINC001142733393 1036458530 /nfs/dbraw/zinc/45/85/30/1036458530.db2.gz HHJNGOYYQNNPRZ-UHFFFAOYSA-N 1 2 348.082 3.983 20 0 EHADLO COc1ccc(CNc2cc[nH+]cc2F)cc1OCc1cccnc1 ZINC000192149124 1036478632 /nfs/dbraw/zinc/47/86/32/1036478632.db2.gz UMVUOBCRRKSOIB-UHFFFAOYSA-N 1 2 339.370 3.815 20 0 EHADLO CCC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000457774848 1036494309 /nfs/dbraw/zinc/49/43/09/1036494309.db2.gz JDZPEHIEAGYRCG-GOSISDBHSA-N 1 2 344.503 3.709 20 0 EHADLO CCC1(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000457773408 1036494583 /nfs/dbraw/zinc/49/45/83/1036494583.db2.gz KLGSZGIIIXRVNQ-UHFFFAOYSA-N 1 2 340.471 3.844 20 0 EHADLO Fc1cccc(Br)c1C[NH2+]Cc1ccc(Cl)cn1 ZINC000192667538 1036520515 /nfs/dbraw/zinc/52/05/15/1036520515.db2.gz VSZVINHCVMGZPC-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541694894 1036565606 /nfs/dbraw/zinc/56/56/06/1036565606.db2.gz MKWIIQCJLOKXFI-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541694894 1036565616 /nfs/dbraw/zinc/56/56/16/1036565616.db2.gz MKWIIQCJLOKXFI-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO c1cn(CCOc2ccccc2NC2CCC3(CCCO3)CC2)c[nH+]1 ZINC000376407264 1036568717 /nfs/dbraw/zinc/56/87/17/1036568717.db2.gz HOSQGDIPRMRQNU-UHFFFAOYSA-N 1 2 341.455 3.866 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c(C)[nH+]1 ZINC000193183029 1036592486 /nfs/dbraw/zinc/59/24/86/1036592486.db2.gz ABZYLWDMNAFHTC-AWEZNQCLSA-N 1 2 330.815 3.850 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000493077944 1036647706 /nfs/dbraw/zinc/64/77/06/1036647706.db2.gz ZJQYOPYYHDQZRJ-ONDVGXNJSA-N 1 2 336.222 3.792 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)CC1CC1 ZINC000176690877 1036675307 /nfs/dbraw/zinc/67/53/07/1036675307.db2.gz LXLBMAZDVDOULK-INIZCTEOSA-N 1 2 344.503 3.518 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]C[C@H](O)C(F)F)c1ccccc1Cl ZINC000493104835 1036699685 /nfs/dbraw/zinc/69/96/85/1036699685.db2.gz OGJLFGTZNZULFZ-HOCLYGCPSA-N 1 2 341.785 3.654 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725071 1036702212 /nfs/dbraw/zinc/70/22/12/1036702212.db2.gz LQZLKPIEEOKGGA-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725071 1036702227 /nfs/dbraw/zinc/70/22/27/1036702227.db2.gz LQZLKPIEEOKGGA-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO Cc1c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)sc2cccc(F)c12 ZINC000589987737 1036705889 /nfs/dbraw/zinc/70/58/89/1036705889.db2.gz HMBJWUAJYNVETM-UHFFFAOYSA-N 1 2 342.395 3.647 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1(C)C ZINC000457977830 1036706120 /nfs/dbraw/zinc/70/61/20/1036706120.db2.gz QWACEHGATZBUFF-KRWDZBQOSA-N 1 2 344.434 3.587 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000532406812 1036716274 /nfs/dbraw/zinc/71/62/74/1036716274.db2.gz JZNSFZYPGUMYRC-INIZCTEOSA-N 1 2 344.455 3.591 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000532406812 1036716284 /nfs/dbraw/zinc/71/62/84/1036716284.db2.gz JZNSFZYPGUMYRC-INIZCTEOSA-N 1 2 344.455 3.591 20 0 EHADLO COCc1cnc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)s1 ZINC000539406239 1036720975 /nfs/dbraw/zinc/72/09/75/1036720975.db2.gz GXUFCUIBWYNTKF-UHFFFAOYSA-N 1 2 331.485 3.674 20 0 EHADLO COc1cccc(C)c1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493127066 1036745182 /nfs/dbraw/zinc/74/51/82/1036745182.db2.gz RAPQZBNKIKVKDP-FLIBITNWSA-N 1 2 333.391 3.841 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(N(C)C)[nH+]1 ZINC000162087572 1036751527 /nfs/dbraw/zinc/75/15/27/1036751527.db2.gz BJPIQCAZIYAXRB-QGZVFWFLSA-N 1 2 342.418 3.964 20 0 EHADLO C[C@@H]1COCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000513972309 1036808010 /nfs/dbraw/zinc/80/80/10/1036808010.db2.gz ZXYXXWAELOCONM-ZDUSSCGKSA-N 1 2 336.888 3.856 20 0 EHADLO C[C@@H]1COCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000513972309 1036808034 /nfs/dbraw/zinc/80/80/34/1036808034.db2.gz ZXYXXWAELOCONM-ZDUSSCGKSA-N 1 2 336.888 3.856 20 0 EHADLO C[C@H](NC(=S)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000138837503 1036832973 /nfs/dbraw/zinc/83/29/73/1036832973.db2.gz LFUXMMNAGIRHJG-HNNXBMFYSA-N 1 2 336.464 3.598 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)s1 ZINC000590349657 1036846002 /nfs/dbraw/zinc/84/60/02/1036846002.db2.gz SYYPOWKDAJAKJK-INIZCTEOSA-N 1 2 334.510 3.970 20 0 EHADLO CSCc1cnc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)s1 ZINC000590349657 1036846010 /nfs/dbraw/zinc/84/60/10/1036846010.db2.gz SYYPOWKDAJAKJK-INIZCTEOSA-N 1 2 334.510 3.970 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000590381829 1036860580 /nfs/dbraw/zinc/86/05/80/1036860580.db2.gz JPVLXXVMNOAQMW-RXVVDRJESA-N 1 2 343.467 3.785 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000590381829 1036860606 /nfs/dbraw/zinc/86/06/06/1036860606.db2.gz JPVLXXVMNOAQMW-RXVVDRJESA-N 1 2 343.467 3.785 20 0 EHADLO Cc1nc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)sc1C ZINC000541950617 1036882294 /nfs/dbraw/zinc/88/22/94/1036882294.db2.gz LXYNZCORMRYEIQ-CYBMUJFWSA-N 1 2 330.375 3.602 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000310945201 1036884305 /nfs/dbraw/zinc/88/43/05/1036884305.db2.gz XQBZJWLOIBCCMA-UHFFFAOYSA-N 1 2 348.491 3.787 20 0 EHADLO Cn1ccc(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)n1 ZINC000498380988 1036980902 /nfs/dbraw/zinc/98/09/02/1036980902.db2.gz SETRANMNTOXQIZ-UHFFFAOYSA-N 1 2 346.228 3.732 20 0 EHADLO CC1(C)CC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC000539616588 1036981589 /nfs/dbraw/zinc/98/15/89/1036981589.db2.gz QHCGJIQWRBMMBF-UHFFFAOYSA-N 1 2 346.519 3.666 20 0 EHADLO CCc1ncc(C[NH2+][C@H](CC)c2nc(C(F)(F)F)cs2)cn1 ZINC000414364961 1037001927 /nfs/dbraw/zinc/00/19/27/1037001927.db2.gz NJJGOTMCQWHRRP-SNVBAGLBSA-N 1 2 330.379 3.755 20 0 EHADLO CC1(C)C[C@]1(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000666420368 1037004943 /nfs/dbraw/zinc/00/49/43/1037004943.db2.gz AVJZKVXKYAUWNA-JOCHJYFZSA-N 1 2 349.478 3.535 20 0 EHADLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc2ccccc2c1 ZINC000178379906 1037034343 /nfs/dbraw/zinc/03/43/43/1037034343.db2.gz CAWXONXRZNFIOV-HNNXBMFYSA-N 1 2 329.403 3.907 20 0 EHADLO O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733209 1037036026 /nfs/dbraw/zinc/03/60/26/1037036026.db2.gz SGOKZLKXQKXYJE-MRXNPFEDSA-N 1 2 344.418 3.995 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733725 1037036141 /nfs/dbraw/zinc/03/61/41/1037036141.db2.gz UQMJKVSMXIJZND-UKRRQHHQSA-N 1 2 349.887 3.881 20 0 EHADLO CO[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000666455609 1037071806 /nfs/dbraw/zinc/07/18/06/1037071806.db2.gz UKYCPGLCYQPVMX-QAPCUYQASA-N 1 2 339.439 3.640 20 0 EHADLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542111897 1037082027 /nfs/dbraw/zinc/08/20/27/1037082027.db2.gz KXWICTOWOCQHFW-QGZVFWFLSA-N 1 2 340.471 3.846 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000590848052 1037082720 /nfs/dbraw/zinc/08/27/20/1037082720.db2.gz FTBMOEAMTMSPIC-ZWKOTPCHSA-N 1 2 344.434 3.766 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000590848051 1037083616 /nfs/dbraw/zinc/08/36/16/1037083616.db2.gz FTBMOEAMTMSPIC-ROUUACIJSA-N 1 2 344.434 3.766 20 0 EHADLO Cc1cccn2c(CN=c3[nH]c4cc(F)c(F)cc4s3)c[nH+]c12 ZINC000539694369 1037085062 /nfs/dbraw/zinc/08/50/62/1037085062.db2.gz DKCZZVWSXNTJIY-UHFFFAOYSA-N 1 2 330.363 3.565 20 0 EHADLO O=C1CCCN1C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000104727439 1037094687 /nfs/dbraw/zinc/09/46/87/1037094687.db2.gz YGVYIRXDOIACHB-UHFFFAOYSA-N 1 2 347.528 3.778 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590863138 1037105382 /nfs/dbraw/zinc/10/53/82/1037105382.db2.gz PEPXMXXJLJVFGM-HNNXBMFYSA-N 1 2 340.452 3.645 20 0 EHADLO CC1CCC(C)(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000105119281 1037136649 /nfs/dbraw/zinc/13/66/49/1037136649.db2.gz ZXTDSQJMMMYAHO-UHFFFAOYSA-N 1 2 340.471 3.699 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000573018265 1037158000 /nfs/dbraw/zinc/15/80/00/1037158000.db2.gz HIWXBDXSQAEZAN-SFHVURJKSA-N 1 2 336.501 3.572 20 0 EHADLO c1nc(C2CCCCC2)sc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000573018265 1037158011 /nfs/dbraw/zinc/15/80/11/1037158011.db2.gz HIWXBDXSQAEZAN-SFHVURJKSA-N 1 2 336.501 3.572 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000105132786 1037164986 /nfs/dbraw/zinc/16/49/86/1037164986.db2.gz VJWDCCRMMRINLP-AWEZNQCLSA-N 1 2 340.895 3.814 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000105132786 1037164993 /nfs/dbraw/zinc/16/49/93/1037164993.db2.gz VJWDCCRMMRINLP-AWEZNQCLSA-N 1 2 340.895 3.814 20 0 EHADLO c1ccc2c(c1)CC[C@]21C[N@H+](Cc2nc3ccccc3s2)CCO1 ZINC000179111820 1037174410 /nfs/dbraw/zinc/17/44/10/1037174410.db2.gz LXFNPCIPALCVOI-FQEVSTJZSA-N 1 2 336.460 3.970 20 0 EHADLO c1ccc2c(c1)CC[C@]21C[N@@H+](Cc2nc3ccccc3s2)CCO1 ZINC000179111820 1037174422 /nfs/dbraw/zinc/17/44/22/1037174422.db2.gz LXFNPCIPALCVOI-FQEVSTJZSA-N 1 2 336.460 3.970 20 0 EHADLO Cc1occc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000414384029 1037182321 /nfs/dbraw/zinc/18/23/21/1037182321.db2.gz TUHNIBJQJHRBTH-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1occc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000414384029 1037182332 /nfs/dbraw/zinc/18/23/32/1037182332.db2.gz TUHNIBJQJHRBTH-INIZCTEOSA-N 1 2 336.229 3.924 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000376491341 1037200552 /nfs/dbraw/zinc/20/05/52/1037200552.db2.gz LYFXPIFALIDHIP-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187114395 1037221094 /nfs/dbraw/zinc/22/10/94/1037221094.db2.gz LZLDVRFJFCPRIL-PKOBYXMFSA-N 1 2 348.450 3.545 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2cc(Cl)ccc2[nH]1 ZINC000591061615 1037221692 /nfs/dbraw/zinc/22/16/92/1037221692.db2.gz XSEPPUHWNSAYHS-UHFFFAOYSA-N 1 2 342.830 3.838 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000493287905 1037223205 /nfs/dbraw/zinc/22/32/05/1037223205.db2.gz IFMIXEFMDYYGDC-CLFYSBASSA-N 1 2 341.411 3.617 20 0 EHADLO O=C(/C=C/c1ccc[nH]1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000493290683 1037224674 /nfs/dbraw/zinc/22/46/74/1037224674.db2.gz QIVBZRTVPJWNFS-MDZDMXLPSA-N 1 2 332.407 3.866 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(COC)cc1 ZINC000539825305 1037229391 /nfs/dbraw/zinc/22/93/91/1037229391.db2.gz OYSZPWWQUPIWQK-HXUWFJFHSA-N 1 2 341.451 3.959 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(COC)cc1 ZINC000539825305 1037229401 /nfs/dbraw/zinc/22/94/01/1037229401.db2.gz OYSZPWWQUPIWQK-HXUWFJFHSA-N 1 2 341.451 3.959 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500879 1037282332 /nfs/dbraw/zinc/28/23/32/1037282332.db2.gz IUXOVMFXBYCHOD-SUMWQHHRSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500879 1037282350 /nfs/dbraw/zinc/28/23/50/1037282350.db2.gz IUXOVMFXBYCHOD-SUMWQHHRSA-N 1 2 338.386 3.854 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136201 1037290513 /nfs/dbraw/zinc/29/05/13/1037290513.db2.gz REHRTCXGQCWXEW-FUHWJXTLSA-N 1 2 339.483 3.803 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136201 1037290528 /nfs/dbraw/zinc/29/05/28/1037290528.db2.gz REHRTCXGQCWXEW-FUHWJXTLSA-N 1 2 339.483 3.803 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H](C)O1 ZINC000573123376 1037294726 /nfs/dbraw/zinc/29/47/26/1037294726.db2.gz GKPIUKYIOVYBJD-QGWWYQLQSA-N 1 2 342.483 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H](C)O1 ZINC000573123376 1037294740 /nfs/dbraw/zinc/29/47/40/1037294740.db2.gz GKPIUKYIOVYBJD-QGWWYQLQSA-N 1 2 342.483 3.671 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccsn1 ZINC001272319132 1037341663 /nfs/dbraw/zinc/34/16/63/1037341663.db2.gz BTHUQKBTHSGEFL-UHFFFAOYSA-N 1 2 325.393 3.562 20 0 EHADLO Cc1nc(-c2cc([C@@H](C)[NH2+]Cc3nnc4n3CCC4)cs2)cs1 ZINC000532457729 1037342373 /nfs/dbraw/zinc/34/23/73/1037342373.db2.gz JMIVMPUHYKWUBL-SNVBAGLBSA-N 1 2 345.497 3.569 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000573169375 1037360074 /nfs/dbraw/zinc/36/00/74/1037360074.db2.gz BZJHQVOGZRCJLA-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000573169375 1037360086 /nfs/dbraw/zinc/36/00/86/1037360086.db2.gz BZJHQVOGZRCJLA-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO CCCCCOc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1OC ZINC000462787909 1037397150 /nfs/dbraw/zinc/39/71/50/1037397150.db2.gz MDTFNTJURVFJND-CQSZACIVSA-N 1 2 329.444 3.958 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc2ccccc21 ZINC001168202684 1037417270 /nfs/dbraw/zinc/41/72/70/1037417270.db2.gz WYAKDULOZDFNDC-IBGZPJMESA-N 1 2 343.467 3.925 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc2ccccc21 ZINC001168202684 1037417276 /nfs/dbraw/zinc/41/72/76/1037417276.db2.gz WYAKDULOZDFNDC-IBGZPJMESA-N 1 2 343.467 3.925 20 0 EHADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000669853543 1037442564 /nfs/dbraw/zinc/44/25/64/1037442564.db2.gz WMVRLYBGZCIDTF-AWEZNQCLSA-N 1 2 344.484 3.694 20 0 EHADLO Cc1ccc(/C=C\C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000491530242 1037524366 /nfs/dbraw/zinc/52/43/66/1037524366.db2.gz AFMNNZVHSWPBLJ-QWGSZXSUSA-N 1 2 340.423 3.633 20 0 EHADLO Fc1ccc(-n2cc(C[N@@H+]3CCCC(F)(F)CC3)nn2)c(Cl)c1 ZINC000628421985 1037551451 /nfs/dbraw/zinc/55/14/51/1037551451.db2.gz IARDWXBQBDOCLV-UHFFFAOYSA-N 1 2 344.768 3.681 20 0 EHADLO Fc1ccc(-n2cc(C[N@H+]3CCCC(F)(F)CC3)nn2)c(Cl)c1 ZINC000628421985 1037551468 /nfs/dbraw/zinc/55/14/68/1037551468.db2.gz IARDWXBQBDOCLV-UHFFFAOYSA-N 1 2 344.768 3.681 20 0 EHADLO Cc1ccccc1/C=C\C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493715232 1037574611 /nfs/dbraw/zinc/57/46/11/1037574611.db2.gz BWPIUHHBZFTNQD-JZHDPFOFSA-N 1 2 349.478 3.947 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573577761 1037619506 /nfs/dbraw/zinc/61/95/06/1037619506.db2.gz XQRAEZNXZGPEHJ-IVMMDQJWSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573577761 1037619516 /nfs/dbraw/zinc/61/95/16/1037619516.db2.gz XQRAEZNXZGPEHJ-IVMMDQJWSA-N 1 2 331.847 3.694 20 0 EHADLO CCC[NH+](CCC)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000151761668 1037626917 /nfs/dbraw/zinc/62/69/17/1037626917.db2.gz CVICLPHIYIVVOX-UHFFFAOYSA-N 1 2 334.489 3.610 20 0 EHADLO CC(C)(C)CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000573609744 1037628502 /nfs/dbraw/zinc/62/85/02/1037628502.db2.gz HEJPLMKQWCFTFD-UHFFFAOYSA-N 1 2 328.460 3.557 20 0 EHADLO CCC[C@@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1ccccn1 ZINC000913711335 1037653568 /nfs/dbraw/zinc/65/35/68/1037653568.db2.gz PYNRKXJNWGPHLX-GOSISDBHSA-N 1 2 348.450 3.645 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+](C)CC3CCCC3)c(=S)o2)cs1 ZINC000058207550 1037653909 /nfs/dbraw/zinc/65/39/09/1037653909.db2.gz XRTSSXZGRBORHP-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+](C)CC3CCCC3)c(=S)o2)cs1 ZINC000058207550 1037653925 /nfs/dbraw/zinc/65/39/25/1037653925.db2.gz XRTSSXZGRBORHP-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c(C2CC2)n1 ZINC000913712019 1037655720 /nfs/dbraw/zinc/65/57/20/1037655720.db2.gz MJVMWZZOWSNIES-UHFFFAOYSA-N 1 2 346.434 3.561 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650699 1037669418 /nfs/dbraw/zinc/66/94/18/1037669418.db2.gz VVFSHHZFPJKXJI-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650699 1037669425 /nfs/dbraw/zinc/66/94/25/1037669425.db2.gz VVFSHHZFPJKXJI-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[N@H+](Cc1cn(-c2ccccc2)nn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463040011 1037680296 /nfs/dbraw/zinc/68/02/96/1037680296.db2.gz ZPSJXPYQMKZPLH-CVEARBPZSA-N 1 2 338.377 3.820 20 0 EHADLO C[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463040011 1037680303 /nfs/dbraw/zinc/68/03/03/1037680303.db2.gz ZPSJXPYQMKZPLH-CVEARBPZSA-N 1 2 338.377 3.820 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000646133326 1037700884 /nfs/dbraw/zinc/70/08/84/1037700884.db2.gz QYVUEAHLJVKDGS-IAGOWNOFSA-N 1 2 330.472 3.664 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000646133326 1037700905 /nfs/dbraw/zinc/70/09/05/1037700905.db2.gz QYVUEAHLJVKDGS-IAGOWNOFSA-N 1 2 330.472 3.664 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1Cl ZINC000666639630 1037707436 /nfs/dbraw/zinc/70/74/36/1037707436.db2.gz CEQDPZNGDDMXIG-UHFFFAOYSA-N 1 2 335.860 3.717 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000112975687 1037772223 /nfs/dbraw/zinc/77/22/23/1037772223.db2.gz VNISVAFQPPWELN-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000112975687 1037772238 /nfs/dbraw/zinc/77/22/38/1037772238.db2.gz VNISVAFQPPWELN-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592075442 1037828559 /nfs/dbraw/zinc/82/85/59/1037828559.db2.gz KDWOJGNLTLQJDS-SNVBAGLBSA-N 1 2 341.839 3.857 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000592075442 1037828573 /nfs/dbraw/zinc/82/85/73/1037828573.db2.gz KDWOJGNLTLQJDS-SNVBAGLBSA-N 1 2 341.839 3.857 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)n1 ZINC000592158047 1037845956 /nfs/dbraw/zinc/84/59/56/1037845956.db2.gz VJNINJRJKDQEOC-CYBMUJFWSA-N 1 2 337.464 3.698 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378080983 1037857335 /nfs/dbraw/zinc/85/73/35/1037857335.db2.gz VWGCNDFICYCHEE-UHFFFAOYSA-N 1 2 347.846 3.628 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378080983 1037857344 /nfs/dbraw/zinc/85/73/44/1037857344.db2.gz VWGCNDFICYCHEE-UHFFFAOYSA-N 1 2 347.846 3.628 20 0 EHADLO COc1ccc([C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000117640047 1037857739 /nfs/dbraw/zinc/85/77/39/1037857739.db2.gz IGHPSBPNKQTWQT-GOSISDBHSA-N 1 2 347.418 3.511 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492023582 1037879625 /nfs/dbraw/zinc/87/96/25/1037879625.db2.gz ZHBAXLDUWODNTP-JVZFRSLZSA-N 1 2 349.356 3.685 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000119158656 1037884334 /nfs/dbraw/zinc/88/43/34/1037884334.db2.gz UXDPHCKBQAVVIQ-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000494215790 1037902067 /nfs/dbraw/zinc/90/20/67/1037902067.db2.gz KLDBNWRNEASDRV-SJORKVTESA-N 1 2 339.345 3.860 20 0 EHADLO CC1=C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCC1 ZINC000532614506 1037921529 /nfs/dbraw/zinc/92/15/29/1037921529.db2.gz IGDWRSOZUHNPSQ-UHFFFAOYSA-N 1 2 325.412 3.526 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CCC2)s1 ZINC000592393137 1037934568 /nfs/dbraw/zinc/93/45/68/1037934568.db2.gz FKLSROKICLPCAQ-LLVKDONJSA-N 1 2 334.416 3.799 20 0 EHADLO COc1ccccc1NC(=S)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058466611 1037949765 /nfs/dbraw/zinc/94/97/65/1037949765.db2.gz BARWDEOXHAQVCJ-UHFFFAOYSA-N 1 2 345.468 3.544 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000038908362 1037967588 /nfs/dbraw/zinc/96/75/88/1037967588.db2.gz XRDFQIBSTPCNHT-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1c(F)cccc1Cl ZINC000540475435 1037983530 /nfs/dbraw/zinc/98/35/30/1037983530.db2.gz IUWIZBGYBOUGAV-LBPRGKRZSA-N 1 2 326.843 3.826 20 0 EHADLO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000540478114 1037986458 /nfs/dbraw/zinc/98/64/58/1037986458.db2.gz NXEPSOIDRXZBLJ-AWEZNQCLSA-N 1 2 348.849 3.797 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C(F)(F)F)O1 ZINC000929761304 1037992011 /nfs/dbraw/zinc/99/20/11/1037992011.db2.gz PGRRJKCSQFTCRD-IGHBBLSQSA-N 1 2 335.316 3.687 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H](C(F)(F)F)O1 ZINC000929761304 1037992023 /nfs/dbraw/zinc/99/20/23/1037992023.db2.gz PGRRJKCSQFTCRD-IGHBBLSQSA-N 1 2 335.316 3.687 20 0 EHADLO CCCc1cc(NCc2ccc(OC3COC3)cc2)nc(CCC)[nH+]1 ZINC001168462032 1038000908 /nfs/dbraw/zinc/00/09/08/1038000908.db2.gz PAPNTMCNJPDFCJ-UHFFFAOYSA-N 1 2 341.455 3.771 20 0 EHADLO Cc1nc2c(o1)CC[N@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001142408827 1038004563 /nfs/dbraw/zinc/00/45/63/1038004563.db2.gz ZULLYHDIBABMPO-UHFFFAOYSA-N 1 2 346.228 3.785 20 0 EHADLO Cc1nc2c(o1)CC[N@@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001142408827 1038004587 /nfs/dbraw/zinc/00/45/87/1038004587.db2.gz ZULLYHDIBABMPO-UHFFFAOYSA-N 1 2 346.228 3.785 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000540491436 1038011626 /nfs/dbraw/zinc/01/16/26/1038011626.db2.gz KNJPRQGITQGHIG-DOTOQJQBSA-N 1 2 329.350 3.794 20 0 EHADLO COc1ccc(-c2noc(COc3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000173464574 1038098497 /nfs/dbraw/zinc/09/84/97/1038098497.db2.gz XMCMJCYTGWWLFL-UHFFFAOYSA-N 1 2 348.362 3.510 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000592782351 1038128122 /nfs/dbraw/zinc/12/81/22/1038128122.db2.gz BNBRMKXAHZDMIX-HXUWFJFHSA-N 1 2 331.419 3.657 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccccc3OC(C)C)CC2)cs1 ZINC000124725789 1038226401 /nfs/dbraw/zinc/22/64/01/1038226401.db2.gz KIAMUUYPSZXYED-UHFFFAOYSA-N 1 2 345.512 3.557 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(c3ccccc3C)CC2)cs1 ZINC000106861380 1038233706 /nfs/dbraw/zinc/23/37/06/1038233706.db2.gz BKEAPFINXPKUOZ-UHFFFAOYSA-N 1 2 329.469 3.790 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@@H](C)C3)cn2c1 ZINC000042740358 1038249543 /nfs/dbraw/zinc/24/95/43/1038249543.db2.gz GUQURSMYFQBZTQ-UKRRQHHQSA-N 1 2 331.485 3.571 20 0 EHADLO CCC(CC)[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000042896570 1038265192 /nfs/dbraw/zinc/26/51/92/1038265192.db2.gz RQRIJPHVKQKMSM-SFHVURJKSA-N 1 2 328.460 3.750 20 0 EHADLO CCc1nocc1C[NH+]1CC(Cc2ccccc2Br)C1 ZINC000628478352 1038269168 /nfs/dbraw/zinc/26/91/68/1038269168.db2.gz YVPCHJSTOXGEJL-UHFFFAOYSA-N 1 2 335.245 3.674 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000125281537 1038303218 /nfs/dbraw/zinc/30/32/18/1038303218.db2.gz CEOXPKBVKJRZAH-GVDBMIGSSA-N 1 2 345.487 3.702 20 0 EHADLO CSc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043318657 1038306632 /nfs/dbraw/zinc/30/66/32/1038306632.db2.gz UFUGALYDCGYYQL-UHFFFAOYSA-N 1 2 342.468 3.725 20 0 EHADLO CCc1c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cnn1-c1ccccc1 ZINC000339116987 1038344833 /nfs/dbraw/zinc/34/48/33/1038344833.db2.gz WEOTVPCACMPTNG-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000378272244 1038356964 /nfs/dbraw/zinc/35/69/64/1038356964.db2.gz XIVYGUOUUPYYNG-LJQANCHMSA-N 1 2 331.419 3.717 20 0 EHADLO CCC[N@@H+](Cc1ccccc1)Cn1nc(C(F)F)n(C)c1=S ZINC000181312004 1038387090 /nfs/dbraw/zinc/38/70/90/1038387090.db2.gz ZDAIMUUEXKBXJT-UHFFFAOYSA-N 1 2 326.416 3.758 20 0 EHADLO CCC[N@H+](Cc1ccccc1)Cn1nc(C(F)F)n(C)c1=S ZINC000181312004 1038387105 /nfs/dbraw/zinc/38/71/05/1038387105.db2.gz ZDAIMUUEXKBXJT-UHFFFAOYSA-N 1 2 326.416 3.758 20 0 EHADLO CC(C)c1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000659945848 1038457571 /nfs/dbraw/zinc/45/75/71/1038457571.db2.gz CVHKJTCLGZBDDC-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO CC(C)c1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000659945848 1038457572 /nfs/dbraw/zinc/45/75/72/1038457572.db2.gz CVHKJTCLGZBDDC-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)n1 ZINC000538717636 1038488411 /nfs/dbraw/zinc/48/84/11/1038488411.db2.gz ODXUYIXAERUWAY-VQIMIIECSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)n1 ZINC000538717636 1038488417 /nfs/dbraw/zinc/48/84/17/1038488417.db2.gz ODXUYIXAERUWAY-VQIMIIECSA-N 1 2 326.440 3.751 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000538750493 1038513733 /nfs/dbraw/zinc/51/37/33/1038513733.db2.gz GBPJVKJXMBGHLB-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000538750493 1038513735 /nfs/dbraw/zinc/51/37/35/1038513735.db2.gz GBPJVKJXMBGHLB-HXUWFJFHSA-N 1 2 349.434 3.659 20 0 EHADLO CC(C)(C)OC(=O)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000538757974 1038519803 /nfs/dbraw/zinc/51/98/03/1038519803.db2.gz QRSDDLRNEUPPIW-UHFFFAOYSA-N 1 2 337.423 3.831 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000893222210 1038569018 /nfs/dbraw/zinc/56/90/18/1038569018.db2.gz YPEWUXJKORQRDI-ALOPSCKCSA-N 1 2 346.496 3.515 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H]1CCCSC1 ZINC000538861355 1038571027 /nfs/dbraw/zinc/57/10/27/1038571027.db2.gz JTDNPZCIPIVJFK-CQSZACIVSA-N 1 2 336.501 3.618 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)CC[C@@H]1c1ccccc1 ZINC000538953157 1038612296 /nfs/dbraw/zinc/61/22/96/1038612296.db2.gz IKWMNMBYLDIGRJ-XLIONFOSSA-N 1 2 332.451 3.893 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)CC[C@@H]1c1ccccc1 ZINC000538953157 1038612302 /nfs/dbraw/zinc/61/23/02/1038612302.db2.gz IKWMNMBYLDIGRJ-XLIONFOSSA-N 1 2 332.451 3.893 20 0 EHADLO O=C(C=Cc1ccc2ccccc2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363828536 1038627409 /nfs/dbraw/zinc/62/74/09/1038627409.db2.gz UCERMDIDCIAFLV-SOFGYWHQSA-N 1 2 331.419 3.982 20 0 EHADLO O=C(C=Cc1ccc2ccccc2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363828536 1038627413 /nfs/dbraw/zinc/62/74/13/1038627413.db2.gz UCERMDIDCIAFLV-SOFGYWHQSA-N 1 2 331.419 3.982 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648382996 1038670982 /nfs/dbraw/zinc/67/09/82/1038670982.db2.gz FJGGRZSGOGIXQU-XYJFISCASA-N 1 2 343.515 3.998 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667205377 1038703415 /nfs/dbraw/zinc/70/34/15/1038703415.db2.gz WWVVPDQEWDXVOC-UHFFFAOYSA-N 1 2 330.476 3.658 20 0 EHADLO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)sc1C ZINC000539223826 1038738703 /nfs/dbraw/zinc/73/87/03/1038738703.db2.gz NKVLWCXRCBTWAN-VIFPVBQESA-N 1 2 339.411 3.581 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1c(F)cccc1F ZINC000539224799 1038739222 /nfs/dbraw/zinc/73/92/22/1038739222.db2.gz ARACWDJKFLPDMB-SNVBAGLBSA-N 1 2 347.390 3.864 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)n2)cc1OC ZINC000924692223 1038793861 /nfs/dbraw/zinc/79/38/61/1038793861.db2.gz KOPMCFMOANQRCT-HUUCEWRRSA-N 1 2 346.475 3.805 20 0 EHADLO CC(C)C[C@H](c1nc(-c2ccc3nccnc3c2)no1)n1cc[nH+]c1 ZINC000923900410 1038816318 /nfs/dbraw/zinc/81/63/18/1038816318.db2.gz CTRVFPHGXRRLKA-MRXNPFEDSA-N 1 2 334.383 3.512 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ncsc1C1CC1)c1ccc(Cl)cc1 ZINC000893262975 1038832182 /nfs/dbraw/zinc/83/21/82/1038832182.db2.gz OXQQKGLUUFWKLT-ZDUSSCGKSA-N 1 2 335.860 3.915 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000488100580 1038855839 /nfs/dbraw/zinc/85/58/39/1038855839.db2.gz GCQNYKJEUNXFHD-PVAVHDDUSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000488100580 1038855860 /nfs/dbraw/zinc/85/58/60/1038855860.db2.gz GCQNYKJEUNXFHD-PVAVHDDUSA-N 1 2 344.282 3.804 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3C)n2)cc1 ZINC000488118565 1038892744 /nfs/dbraw/zinc/89/27/44/1038892744.db2.gz ZUTANMVBUUPMKQ-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3C)n2)cc1 ZINC000488118565 1038892769 /nfs/dbraw/zinc/89/27/69/1038892769.db2.gz ZUTANMVBUUPMKQ-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO c1ccc(COc2cncc(C[N@@H+]3CCOCC34CCCC4)c2)cc1 ZINC000488141296 1038904132 /nfs/dbraw/zinc/90/41/32/1038904132.db2.gz PSWHYNSTNQTFCZ-UHFFFAOYSA-N 1 2 338.451 3.806 20 0 EHADLO c1ccc(COc2cncc(C[N@H+]3CCOCC34CCCC4)c2)cc1 ZINC000488141296 1038904154 /nfs/dbraw/zinc/90/41/54/1038904154.db2.gz PSWHYNSTNQTFCZ-UHFFFAOYSA-N 1 2 338.451 3.806 20 0 EHADLO FC1(F)CCC[C@H]1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923889878 1038904934 /nfs/dbraw/zinc/90/49/34/1038904934.db2.gz WITNWRZGZKXFSP-ZDUSSCGKSA-N 1 2 330.338 3.900 20 0 EHADLO CCn1ncnc1C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000488172620 1038933643 /nfs/dbraw/zinc/93/36/43/1038933643.db2.gz SJGMEYCNUVJOOF-UHFFFAOYSA-N 1 2 338.377 3.696 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)[C@H]1CC1(C)C ZINC000416730081 1038948808 /nfs/dbraw/zinc/94/88/08/1038948808.db2.gz LHTZIKYTXTWXJA-CVEARBPZSA-N 1 2 334.508 3.692 20 0 EHADLO CCCNC(=O)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432740822 1038979837 /nfs/dbraw/zinc/97/98/37/1038979837.db2.gz YQHFUZFDHUDJJD-UHFFFAOYSA-N 1 2 335.300 3.793 20 0 EHADLO Cc1ccc(-c2nnco2)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000124664153 1039001273 /nfs/dbraw/zinc/00/12/73/1039001273.db2.gz IJGWRMHYLKLUGU-UHFFFAOYSA-N 1 2 331.379 3.843 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)nn1C ZINC000667590142 1039010410 /nfs/dbraw/zinc/01/04/10/1039010410.db2.gz MTZDRLZWMXWVED-CQSZACIVSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)nn1C ZINC000667590142 1039010425 /nfs/dbraw/zinc/01/04/25/1039010425.db2.gz MTZDRLZWMXWVED-CQSZACIVSA-N 1 2 339.361 3.785 20 0 EHADLO Cc1cc([C@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc2Cl)ccc1F ZINC000480018907 1039038704 /nfs/dbraw/zinc/03/87/04/1039038704.db2.gz ROPBJFHNZZPYGX-MSOLQXFVSA-N 1 2 346.833 3.745 20 0 EHADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000910816908 1039093913 /nfs/dbraw/zinc/09/39/13/1039093913.db2.gz FZASZCCGQVSVHF-LBPRGKRZSA-N 1 2 337.345 3.517 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H](C)[C@H]1C ZINC000416834689 1039100775 /nfs/dbraw/zinc/10/07/75/1039100775.db2.gz JFDQXWFBRIQUNZ-RDBSUJKOSA-N 1 2 336.505 3.637 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c(O)c(=O)c1 ZINC000663828049 1039111833 /nfs/dbraw/zinc/11/18/33/1039111833.db2.gz HYWIZTFIWJXTGZ-SFHVURJKSA-N 1 2 327.399 3.962 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c(O)c(=O)c1 ZINC000663828049 1039111842 /nfs/dbraw/zinc/11/18/42/1039111842.db2.gz HYWIZTFIWJXTGZ-SFHVURJKSA-N 1 2 327.399 3.962 20 0 EHADLO Fc1ccc2cc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)[nH]c2c1 ZINC000488361038 1039121507 /nfs/dbraw/zinc/12/15/07/1039121507.db2.gz WHCLMOQRIKHUDZ-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1C ZINC000898497624 1039146522 /nfs/dbraw/zinc/14/65/22/1039146522.db2.gz CNDMUVWVXLFMSJ-QGZVFWFLSA-N 1 2 344.430 3.727 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1C ZINC000898497624 1039146537 /nfs/dbraw/zinc/14/65/37/1039146537.db2.gz CNDMUVWVXLFMSJ-QGZVFWFLSA-N 1 2 344.430 3.727 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc(-c2ccncc2)s1 ZINC000554323462 1039218360 /nfs/dbraw/zinc/21/83/60/1039218360.db2.gz UZGDXTYRUSCPCU-UHFFFAOYSA-N 1 2 349.463 3.999 20 0 EHADLO O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167903923 1039261936 /nfs/dbraw/zinc/26/19/36/1039261936.db2.gz YSTQEEFFOPVFPB-BQJUDKOJSA-N 1 2 335.447 3.729 20 0 EHADLO CCCCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000488560059 1039276439 /nfs/dbraw/zinc/27/64/39/1039276439.db2.gz CEUMGBQZBNKAMJ-WMZOPIPTSA-N 1 2 340.471 3.771 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)oc1C ZINC000432807710 1039311979 /nfs/dbraw/zinc/31/19/79/1039311979.db2.gz FWIJSMGWRDVIKP-NVGCLXPQSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)oc1C ZINC000432807710 1039311996 /nfs/dbraw/zinc/31/19/96/1039311996.db2.gz FWIJSMGWRDVIKP-NVGCLXPQSA-N 1 2 349.452 3.959 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000432814782 1039353736 /nfs/dbraw/zinc/35/37/36/1039353736.db2.gz YAXVSDWTCWCQFA-UKRRQHHQSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Br)CC[C@H]1c1ccccc1 ZINC000432814782 1039353749 /nfs/dbraw/zinc/35/37/49/1039353749.db2.gz YAXVSDWTCWCQFA-UKRRQHHQSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1ccccc1 ZINC000554465978 1039366607 /nfs/dbraw/zinc/36/66/07/1039366607.db2.gz MGEHCLDTLASYCU-KXBFYZLASA-N 1 2 347.422 3.551 20 0 EHADLO Cc1cc(N2CCN(c3cccc(F)c3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000488748692 1039384807 /nfs/dbraw/zinc/38/48/07/1039384807.db2.gz QTSOTIMWEJZGAS-CQSZACIVSA-N 1 2 326.419 3.517 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)c(F)c1 ZINC000429585270 1039427592 /nfs/dbraw/zinc/42/75/92/1039427592.db2.gz IVDPIUCRLOZQTR-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)c(F)c1 ZINC000429585270 1039427602 /nfs/dbraw/zinc/42/76/02/1039427602.db2.gz IVDPIUCRLOZQTR-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cc2cc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)oc2cc1C ZINC000485710135 1039439194 /nfs/dbraw/zinc/43/91/94/1039439194.db2.gz MBLJUAOMHUIBCW-IBGZPJMESA-N 1 2 329.440 3.677 20 0 EHADLO Cc1cc2cc(C[N@H+]3CCO[C@H](COCC4CC4)C3)oc2cc1C ZINC000485710135 1039439207 /nfs/dbraw/zinc/43/92/07/1039439207.db2.gz MBLJUAOMHUIBCW-IBGZPJMESA-N 1 2 329.440 3.677 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541948 1039461819 /nfs/dbraw/zinc/46/18/19/1039461819.db2.gz SAVZAODQGKYIRY-SJORKVTESA-N 1 2 341.459 3.807 20 0 EHADLO C[C@@H](CN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000554542661 1039461953 /nfs/dbraw/zinc/46/19/53/1039461953.db2.gz AWQQJGXWDLFRKW-INIZCTEOSA-N 1 2 349.438 3.594 20 0 EHADLO CCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC(F)(F)CC1 ZINC000667667581 1039496252 /nfs/dbraw/zinc/49/62/52/1039496252.db2.gz QCXRIBONQWDJRC-UHFFFAOYSA-N 1 2 325.403 3.652 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC(F)(F)C1)C2 ZINC000554579889 1039505150 /nfs/dbraw/zinc/50/51/50/1039505150.db2.gz NFWQLVBQQHNSBC-QWHCGFSZSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC(F)(F)C1)CC2 ZINC000554579889 1039505165 /nfs/dbraw/zinc/50/51/65/1039505165.db2.gz NFWQLVBQQHNSBC-QWHCGFSZSA-N 1 2 339.430 3.580 20 0 EHADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1noc(-c2ccccc2)n1 ZINC000051685902 1039506200 /nfs/dbraw/zinc/50/62/00/1039506200.db2.gz GPPBUQQMZOXGKB-UHFFFAOYSA-N 1 2 341.386 3.777 20 0 EHADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1noc(-c2ccccc2)n1 ZINC000051685902 1039506220 /nfs/dbraw/zinc/50/62/20/1039506220.db2.gz GPPBUQQMZOXGKB-UHFFFAOYSA-N 1 2 341.386 3.777 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485762606 1039536645 /nfs/dbraw/zinc/53/66/45/1039536645.db2.gz PXSBCSSOUOWFSB-IAGOWNOFSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485762606 1039536655 /nfs/dbraw/zinc/53/66/55/1039536655.db2.gz PXSBCSSOUOWFSB-IAGOWNOFSA-N 1 2 338.442 3.899 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000489047991 1039589096 /nfs/dbraw/zinc/58/90/96/1039589096.db2.gz DXHWMXCSYXZGCD-NVXWUHKLSA-N 1 2 333.435 3.940 20 0 EHADLO Cc1sc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667368233 1039593562 /nfs/dbraw/zinc/59/35/62/1039593562.db2.gz KOJFEJUBXIXWED-OCCSQVGLSA-N 1 2 347.488 3.886 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC2(CCOCC2)O1 ZINC000279933921 1039603700 /nfs/dbraw/zinc/60/37/00/1039603700.db2.gz WVNVNCUECWJZMK-HNNXBMFYSA-N 1 2 344.480 3.580 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC2(CCOCC2)O1 ZINC000279933921 1039603708 /nfs/dbraw/zinc/60/37/08/1039603708.db2.gz WVNVNCUECWJZMK-HNNXBMFYSA-N 1 2 344.480 3.580 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1C(C)C ZINC000667370693 1039614489 /nfs/dbraw/zinc/61/44/89/1039614489.db2.gz HKKULHVMRXOVOF-GFCCVEGCSA-N 1 2 333.461 3.710 20 0 EHADLO CCc1cc(N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)nc(CC)[nH+]1 ZINC000893743417 1039670774 /nfs/dbraw/zinc/67/07/74/1039670774.db2.gz FIAOHXAFJLZOFZ-CYBMUJFWSA-N 1 2 347.484 3.568 20 0 EHADLO Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2ncc(Br)cn2)cc1 ZINC000932258605 1039672777 /nfs/dbraw/zinc/67/27/77/1039672777.db2.gz PYNNNDRZMGRTBR-MRXNPFEDSA-N 1 2 346.272 3.927 20 0 EHADLO Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ncc(Br)cn2)cc1 ZINC000932258605 1039672782 /nfs/dbraw/zinc/67/27/82/1039672782.db2.gz PYNNNDRZMGRTBR-MRXNPFEDSA-N 1 2 346.272 3.927 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(C2CC2)CCC1 ZINC000906609537 1039678994 /nfs/dbraw/zinc/67/89/94/1039678994.db2.gz ASLVMCONPQACSI-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000554761118 1039692632 /nfs/dbraw/zinc/69/26/32/1039692632.db2.gz MJWUSTXBLNGPPU-KBXCAEBGSA-N 1 2 335.407 3.578 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906344 1039695675 /nfs/dbraw/zinc/69/56/75/1039695675.db2.gz LWNMOMAJGYFLPJ-UHFFFAOYSA-N 1 2 346.500 3.861 20 0 EHADLO CC(C)(CNC(=O)C(C)(C)c1cccc2ccccc21)n1cc[nH+]c1 ZINC000898909431 1039698188 /nfs/dbraw/zinc/69/81/88/1039698188.db2.gz OTWWSLRMHJUCDS-UHFFFAOYSA-N 1 2 335.451 3.865 20 0 EHADLO Cc1nc2c(Cl)cccc2cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898911646 1039703592 /nfs/dbraw/zinc/70/35/92/1039703592.db2.gz WTFFGTPOEVHZBX-UHFFFAOYSA-N 1 2 342.830 3.558 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000584760050 1039729957 /nfs/dbraw/zinc/72/99/57/1039729957.db2.gz JQPULVYSLCMEMD-HOCLYGCPSA-N 1 2 342.487 3.701 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000584760050 1039729974 /nfs/dbraw/zinc/72/99/74/1039729974.db2.gz JQPULVYSLCMEMD-HOCLYGCPSA-N 1 2 342.487 3.701 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000584782806 1039824002 /nfs/dbraw/zinc/82/40/02/1039824002.db2.gz CPPOOWYQDZIXDI-KRWDZBQOSA-N 1 2 343.446 3.804 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CC[C@@H](n4cccn4)C3)c2c1 ZINC000893932456 1039843265 /nfs/dbraw/zinc/84/32/65/1039843265.db2.gz OWGOECGKXBZQDI-GFCCVEGCSA-N 1 2 328.803 3.545 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000553181123 1039860063 /nfs/dbraw/zinc/86/00/63/1039860063.db2.gz VMTJPOWUSCGZJP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000553181123 1039860090 /nfs/dbraw/zinc/86/00/90/1039860090.db2.gz VMTJPOWUSCGZJP-HNNXBMFYSA-N 1 2 328.391 3.542 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)c(C)[nH+]1 ZINC000907020853 1039884019 /nfs/dbraw/zinc/88/40/19/1039884019.db2.gz RWEBACLGJZFYRR-CYBMUJFWSA-N 1 2 328.387 3.537 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359498 1039896545 /nfs/dbraw/zinc/89/65/45/1039896545.db2.gz HWSITHGOQBDHNE-ZFWWWQNUSA-N 1 2 330.501 3.505 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359498 1039896569 /nfs/dbraw/zinc/89/65/69/1039896569.db2.gz HWSITHGOQBDHNE-ZFWWWQNUSA-N 1 2 330.501 3.505 20 0 EHADLO Brc1ccc2[nH]c(NC3(C4CCOCC4)CC3)[nH+]c2c1 ZINC001167744139 1039932304 /nfs/dbraw/zinc/93/23/04/1039932304.db2.gz YXYPPRWGKVTQSQ-UHFFFAOYSA-N 1 2 336.233 3.697 20 0 EHADLO Brc1ccc2[nH+]c(NC3(C4CCOCC4)CC3)[nH]c2c1 ZINC001167744139 1039932320 /nfs/dbraw/zinc/93/23/20/1039932320.db2.gz YXYPPRWGKVTQSQ-UHFFFAOYSA-N 1 2 336.233 3.697 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000893986067 1039940479 /nfs/dbraw/zinc/94/04/79/1039940479.db2.gz OWHRCKUXHSIOKR-QGZVFWFLSA-N 1 2 327.453 3.532 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000893986067 1039940491 /nfs/dbraw/zinc/94/04/91/1039940491.db2.gz OWHRCKUXHSIOKR-QGZVFWFLSA-N 1 2 327.453 3.532 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CCC4(CC3)OCCCO4)c2c1 ZINC000893986708 1039941406 /nfs/dbraw/zinc/94/14/06/1039941406.db2.gz WJDAOHHWJXPGMB-UHFFFAOYSA-N 1 2 348.830 3.630 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2cn(CC)nc21 ZINC001143604854 1039953892 /nfs/dbraw/zinc/95/38/92/1039953892.db2.gz FULGDTQWLYAFSG-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2cn(CC)nc21 ZINC001143604854 1039953909 /nfs/dbraw/zinc/95/39/09/1039953909.db2.gz FULGDTQWLYAFSG-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO CCCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(OC(C)C)c1 ZINC000479081926 1039955870 /nfs/dbraw/zinc/95/58/70/1039955870.db2.gz ASVKPLRANHBRPP-UHFFFAOYSA-N 1 2 328.412 3.640 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479105626 1039972203 /nfs/dbraw/zinc/97/22/03/1039972203.db2.gz NTDZXERJXUWJFH-BBRMVZONSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479105626 1039972218 /nfs/dbraw/zinc/97/22/18/1039972218.db2.gz NTDZXERJXUWJFH-BBRMVZONSA-N 1 2 330.378 3.609 20 0 EHADLO FC(F)O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000549848133 1040012152 /nfs/dbraw/zinc/01/21/52/1040012152.db2.gz LDEPDWRCPWDTAI-VIFPVBQESA-N 1 2 340.595 3.916 20 0 EHADLO FC(F)O[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000549848133 1040012140 /nfs/dbraw/zinc/01/21/40/1040012140.db2.gz LDEPDWRCPWDTAI-VIFPVBQESA-N 1 2 340.595 3.916 20 0 EHADLO CC(C)c1ccc(CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000907399756 1040038932 /nfs/dbraw/zinc/03/89/32/1040038932.db2.gz WUGNYYUYOFDHJT-UHFFFAOYSA-N 1 2 325.456 3.557 20 0 EHADLO C[C@@H](CC(=O)NC[C@H](Cc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000584842843 1040060904 /nfs/dbraw/zinc/06/09/04/1040060904.db2.gz HZTBDHZWXZXFNY-RXVVDRJESA-N 1 2 347.462 3.977 20 0 EHADLO COC(CCCC(C)(C)CNC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC000907480809 1040080753 /nfs/dbraw/zinc/08/07/53/1040080753.db2.gz DLCAKJASAZYFTG-UHFFFAOYSA-N 1 2 336.476 3.552 20 0 EHADLO Cn1cc(C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)nn1 ZINC000428726874 1040107583 /nfs/dbraw/zinc/10/75/83/1040107583.db2.gz WUPHXMHVOQLDOP-UHFFFAOYSA-N 1 2 325.243 3.502 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Br)cnc1OC)c1nccs1 ZINC000660252701 1040112616 /nfs/dbraw/zinc/11/26/16/1040112616.db2.gz DETVAKJLJWIHNO-NSHDSACASA-N 1 2 342.262 3.550 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000486449813 1040145739 /nfs/dbraw/zinc/14/57/39/1040145739.db2.gz UZDOJUPTXFCJTK-KRWDZBQOSA-N 1 2 326.419 3.948 20 0 EHADLO Fc1ccc([C@@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000486449813 1040145746 /nfs/dbraw/zinc/14/57/46/1040145746.db2.gz UZDOJUPTXFCJTK-KRWDZBQOSA-N 1 2 326.419 3.948 20 0 EHADLO COc1cccc(SC)c1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000417669592 1040147798 /nfs/dbraw/zinc/14/77/98/1040147798.db2.gz LZTLHHQLXOKJBC-LBPRGKRZSA-N 1 2 346.456 3.552 20 0 EHADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)c1ccccc1OC ZINC000667473949 1040167933 /nfs/dbraw/zinc/16/79/33/1040167933.db2.gz ZSDNZLIPWJDVQF-USXIJHARSA-N 1 2 341.455 3.532 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCCSC1 ZINC000907814733 1040182398 /nfs/dbraw/zinc/18/23/98/1040182398.db2.gz HHLJSEDXGVVBOM-LSDHHAIUSA-N 1 2 347.528 3.574 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CCCSC1 ZINC000907814733 1040182408 /nfs/dbraw/zinc/18/24/08/1040182408.db2.gz HHLJSEDXGVVBOM-LSDHHAIUSA-N 1 2 347.528 3.574 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)oc1C ZINC000432924985 1040189789 /nfs/dbraw/zinc/18/97/89/1040189789.db2.gz PORJYEDFYVKXIN-NJSLBKSFSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)oc1C ZINC000432924985 1040189804 /nfs/dbraw/zinc/18/98/04/1040189804.db2.gz PORJYEDFYVKXIN-NJSLBKSFSA-N 1 2 343.423 3.898 20 0 EHADLO CO[C@@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)C1CCCC1 ZINC000660270265 1040189874 /nfs/dbraw/zinc/18/98/74/1040189874.db2.gz SIEQZUBFVFJOEE-PBHICJAKSA-N 1 2 329.444 3.516 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(COC)cs1 ZINC000667478679 1040194998 /nfs/dbraw/zinc/19/49/98/1040194998.db2.gz JWTVDTRTNILFAF-UHFFFAOYSA-N 1 2 332.469 3.527 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(COC)cs1 ZINC000667478679 1040195010 /nfs/dbraw/zinc/19/50/10/1040195010.db2.gz JWTVDTRTNILFAF-UHFFFAOYSA-N 1 2 332.469 3.527 20 0 EHADLO COCCC[C@H](Cc1ccccc1)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907874393 1040224443 /nfs/dbraw/zinc/22/44/43/1040224443.db2.gz RISGGDYULWHFIA-LJQANCHMSA-N 1 2 340.467 3.775 20 0 EHADLO CCC[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000669019357 1040257530 /nfs/dbraw/zinc/25/75/30/1040257530.db2.gz UENIBLNVJCQJAF-WMLDXEAASA-N 1 2 333.863 3.873 20 0 EHADLO Cc1cc(N[C@@H](CO)c2c(Cl)cccc2Cl)nc(C(C)C)[nH+]1 ZINC000481036612 1040301551 /nfs/dbraw/zinc/30/15/51/1040301551.db2.gz KSJISTJHMCNOJB-ZDUSSCGKSA-N 1 2 340.254 3.783 20 0 EHADLO Cc1csc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3C)CC2)n1 ZINC000428740186 1040311315 /nfs/dbraw/zinc/31/13/15/1040311315.db2.gz LDCCKTRXXUBOHK-UHFFFAOYSA-N 1 2 347.459 3.717 20 0 EHADLO Cc1cccc(CN(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000667507832 1040332324 /nfs/dbraw/zinc/33/23/24/1040332324.db2.gz KOWUJYHSJPXXDC-QZTJIDSGSA-N 1 2 325.456 3.517 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2ccccc2F)C1)c1ccc(Cl)cc1 ZINC000066846003 1040359441 /nfs/dbraw/zinc/35/94/41/1040359441.db2.gz ZMLSWGXGMCSKCM-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2ccccc2F)C1)c1ccc(Cl)cc1 ZINC000066846003 1040359452 /nfs/dbraw/zinc/35/94/52/1040359452.db2.gz ZMLSWGXGMCSKCM-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908306749 1040395335 /nfs/dbraw/zinc/39/53/35/1040395335.db2.gz VQBBDNCRLOWYAV-INIZCTEOSA-N 1 2 328.460 3.646 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000029541897 1040432276 /nfs/dbraw/zinc/43/22/76/1040432276.db2.gz MGJAQEVDYSDRBS-CYBMUJFWSA-N 1 2 331.489 3.745 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000029541897 1040432288 /nfs/dbraw/zinc/43/22/88/1040432288.db2.gz MGJAQEVDYSDRBS-CYBMUJFWSA-N 1 2 331.489 3.745 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000500075279 1040433958 /nfs/dbraw/zinc/43/39/58/1040433958.db2.gz PCLLBXHUGMXMIA-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000500075279 1040433972 /nfs/dbraw/zinc/43/39/72/1040433972.db2.gz PCLLBXHUGMXMIA-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)C1(C2CC2)CCC1 ZINC000908413373 1040438412 /nfs/dbraw/zinc/43/84/12/1040438412.db2.gz KFKKFBFMNHVDKJ-UHFFFAOYSA-N 1 2 329.831 3.722 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1NC1CCCCC1 ZINC000479630765 1040442734 /nfs/dbraw/zinc/44/27/34/1040442734.db2.gz AITHZJBRJGIPGJ-UHFFFAOYSA-N 1 2 338.455 3.668 20 0 EHADLO COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3ncn[nH]3)C3CCCCC3)C2)c1 ZINC000651463552 1040443115 /nfs/dbraw/zinc/44/31/15/1040443115.db2.gz MZYMUCMVNWMWHQ-LNLFQRSKSA-N 1 2 340.471 3.971 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000553801138 1040444034 /nfs/dbraw/zinc/44/40/34/1040444034.db2.gz JJLBHEYXEGAOQT-QGZVFWFLSA-N 1 2 346.402 3.912 20 0 EHADLO CC(C)(/C=C/Cl)NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000923809978 1040454694 /nfs/dbraw/zinc/45/46/94/1040454694.db2.gz GZBVSFTXKOZSBN-CASVTWKXSA-N 1 2 336.867 3.635 20 0 EHADLO Fc1cc(-c2noc(C[NH+]3CCC(C(F)F)CC3)n2)cc(F)c1F ZINC000486813309 1040466169 /nfs/dbraw/zinc/46/61/69/1040466169.db2.gz UIGRXGMXFGYKAW-UHFFFAOYSA-N 1 2 347.287 3.631 20 0 EHADLO CC(C)C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)n1cc[nH+]c1 ZINC000899420627 1040481505 /nfs/dbraw/zinc/48/15/05/1040481505.db2.gz OIIMKMJFUYHDNO-LZWOXQAQSA-N 1 2 343.393 3.661 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000152748500 1040507048 /nfs/dbraw/zinc/50/70/48/1040507048.db2.gz GCAKOGDIOPVJTG-UHFFFAOYSA-N 1 2 343.446 3.816 20 0 EHADLO O=C(CCc1cc(Cl)cc(Cl)c1)NCCNc1cccc[nH+]1 ZINC000486866374 1040510339 /nfs/dbraw/zinc/51/03/39/1040510339.db2.gz HVUBRDIBSKTIBU-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667534019 1040513117 /nfs/dbraw/zinc/51/31/17/1040513117.db2.gz JLWCFPFWIQCXNM-UHFFFAOYSA-N 1 2 342.405 3.574 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1NCCCc1ccccc1 ZINC000555402820 1040538965 /nfs/dbraw/zinc/53/89/65/1040538965.db2.gz GGBPFJRRESEESF-UHFFFAOYSA-N 1 2 348.450 3.646 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000418109562 1040585637 /nfs/dbraw/zinc/58/56/37/1040585637.db2.gz URWYYCCWPGMGFO-MRXNPFEDSA-N 1 2 334.213 3.516 20 0 EHADLO COC(=O)c1ccc(Cl)c(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000479780985 1040615592 /nfs/dbraw/zinc/61/55/92/1040615592.db2.gz NBWJPIXRCPRPRZ-UHFFFAOYSA-N 1 2 345.830 3.734 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)cs1 ZINC000667558629 1040634554 /nfs/dbraw/zinc/63/45/54/1040634554.db2.gz MODWFYOMWVJNFH-KRWDZBQOSA-N 1 2 332.469 3.505 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)cs1 ZINC000667558629 1040634565 /nfs/dbraw/zinc/63/45/65/1040634565.db2.gz MODWFYOMWVJNFH-KRWDZBQOSA-N 1 2 332.469 3.505 20 0 EHADLO CCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000152230087 1040647928 /nfs/dbraw/zinc/64/79/28/1040647928.db2.gz BYBJSVUPKQTTLQ-OAHLLOKOSA-N 1 2 345.270 3.823 20 0 EHADLO CCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000152230087 1040647936 /nfs/dbraw/zinc/64/79/36/1040647936.db2.gz BYBJSVUPKQTTLQ-OAHLLOKOSA-N 1 2 345.270 3.823 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)N3CC=CC34CCCC4)c2)cc[nH+]1 ZINC000913203585 1040651284 /nfs/dbraw/zinc/65/12/84/1040651284.db2.gz YTLBYITVFUPATC-UHFFFAOYSA-N 1 2 348.450 3.722 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)o1 ZINC000894119468 1040747525 /nfs/dbraw/zinc/74/75/25/1040747525.db2.gz KCWXGLFUOHSVEZ-UHFFFAOYSA-N 1 2 345.370 3.994 20 0 EHADLO CC[C@@H](C)[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000512742573 1040751167 /nfs/dbraw/zinc/75/11/67/1040751167.db2.gz ABLHZOGQAQRIEB-CABCVRRESA-N 1 2 339.483 3.777 20 0 EHADLO CC[C@@H](C)[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000512742573 1040751184 /nfs/dbraw/zinc/75/11/84/1040751184.db2.gz ABLHZOGQAQRIEB-CABCVRRESA-N 1 2 339.483 3.777 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000614230160 1040754349 /nfs/dbraw/zinc/75/43/49/1040754349.db2.gz XWKOLRMHSBMHBQ-NSHDSACASA-N 1 2 326.227 3.800 20 0 EHADLO CCn1cc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)nn1 ZINC000893345909 1040828897 /nfs/dbraw/zinc/82/88/97/1040828897.db2.gz ZLBQZZIVMYVXQZ-OAQYLSRUSA-N 1 2 348.450 3.502 20 0 EHADLO CC[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CCO[C@@H](CC)C3)c2C)CCO1 ZINC000664028096 1040875679 /nfs/dbraw/zinc/87/56/79/1040875679.db2.gz LWJIWGPGWUCFKW-WNKDZCFJSA-N 1 2 348.491 3.524 20 0 EHADLO CC[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CCO[C@@H](CC)C3)c2C)CCO1 ZINC000664028096 1040875698 /nfs/dbraw/zinc/87/56/98/1040875698.db2.gz LWJIWGPGWUCFKW-WNKDZCFJSA-N 1 2 348.491 3.524 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000614279524 1040911406 /nfs/dbraw/zinc/91/14/06/1040911406.db2.gz XGSQDVBZMRQHNR-QZTJIDSGSA-N 1 2 341.455 3.612 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccon2)c1 ZINC000759824436 1040962989 /nfs/dbraw/zinc/96/29/89/1040962989.db2.gz PJLUORZXGYSLOT-UHFFFAOYSA-N 1 2 340.427 3.592 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@@H+]2[C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911492 1040977097 /nfs/dbraw/zinc/97/70/97/1040977097.db2.gz VLMATVQDJPUUBY-KGLIPLIRSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1ccc([C@H]2CCCC[N@H+]2[C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000570911492 1040977126 /nfs/dbraw/zinc/97/71/26/1040977126.db2.gz VLMATVQDJPUUBY-KGLIPLIRSA-N 1 2 344.377 3.668 20 0 EHADLO Cc1nc2cc(CNc3nc(N(C)C)c4ccccc4[nH+]3)ccc2o1 ZINC001167757508 1040986917 /nfs/dbraw/zinc/98/69/17/1040986917.db2.gz SVFLCXXIRCFPQC-UHFFFAOYSA-N 1 2 333.395 3.758 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(COC(C)C)cc3)[nH+]c12 ZINC000586755107 1040998892 /nfs/dbraw/zinc/99/88/92/1040998892.db2.gz KURKASANWWWYAH-UHFFFAOYSA-N 1 2 337.423 3.749 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3cccc(F)c3)[nH+]c12 ZINC000586753283 1040999521 /nfs/dbraw/zinc/99/95/21/1040999521.db2.gz ZCRIGVZEYNDNSK-SFHVURJKSA-N 1 2 337.398 3.688 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)cc(OC(C)C)c2)cc[nH+]1 ZINC000500306585 1041001757 /nfs/dbraw/zinc/00/17/57/1041001757.db2.gz XAXDOPHAJDHIDB-UHFFFAOYSA-N 1 2 349.228 3.614 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000512827136 1041046959 /nfs/dbraw/zinc/04/69/59/1041046959.db2.gz LLLOJDGIKAXXJB-SJORKVTESA-N 1 2 332.492 3.789 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2sccc2C)c1C ZINC000164033028 1041115462 /nfs/dbraw/zinc/11/54/62/1041115462.db2.gz HPKMIWSQXURCCD-UHFFFAOYSA-N 1 2 332.469 3.716 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000509828284 1041129355 /nfs/dbraw/zinc/12/93/55/1041129355.db2.gz SPKDDYWUJKGLIT-BRWVUGGUSA-N 1 2 329.488 3.581 20 0 EHADLO CC1(C)CC(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000429899586 1041129394 /nfs/dbraw/zinc/12/93/94/1041129394.db2.gz ZLZIMPDLICXAMH-UHFFFAOYSA-N 1 2 327.428 3.727 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000571056881 1041170998 /nfs/dbraw/zinc/17/09/98/1041170998.db2.gz GCOXFTMYBIZFES-HHXXYDBFSA-N 1 2 325.456 3.506 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000571056881 1041171008 /nfs/dbraw/zinc/17/10/08/1041171008.db2.gz GCOXFTMYBIZFES-HHXXYDBFSA-N 1 2 325.456 3.506 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)[nH]1 ZINC000660418208 1041198389 /nfs/dbraw/zinc/19/83/89/1041198389.db2.gz JVFWOMKYOAXCAG-NSHDSACASA-N 1 2 337.265 3.631 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)[nH]1 ZINC000660418208 1041198400 /nfs/dbraw/zinc/19/84/00/1041198400.db2.gz JVFWOMKYOAXCAG-NSHDSACASA-N 1 2 337.265 3.631 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccccc2N(C)C)C3)cc1 ZINC000487950610 1041200197 /nfs/dbraw/zinc/20/01/97/1041200197.db2.gz AXYADAPJFOHEMJ-UHFFFAOYSA-N 1 2 346.478 3.805 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccccc2N(C)C)C3)cc1 ZINC000487950610 1041200205 /nfs/dbraw/zinc/20/02/05/1041200205.db2.gz AXYADAPJFOHEMJ-UHFFFAOYSA-N 1 2 346.478 3.805 20 0 EHADLO CC(C)CCN(C(=O)NCCCNc1cccc[nH+]1)C1CCCC1 ZINC000481654808 1041204225 /nfs/dbraw/zinc/20/42/25/1041204225.db2.gz ITYXTFQZTRYXIU-UHFFFAOYSA-N 1 2 332.492 3.884 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000555841979 1041211193 /nfs/dbraw/zinc/21/11/93/1041211193.db2.gz VNIYZQJPYNLGFV-HOTGVXAUSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1C ZINC000512916960 1041235834 /nfs/dbraw/zinc/23/58/34/1041235834.db2.gz NHMGYCUONOCGLY-HHXXYDBFSA-N 1 2 337.467 3.648 20 0 EHADLO C[N@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070518 1041260738 /nfs/dbraw/zinc/26/07/38/1041260738.db2.gz WWJYAUSJWXPJCQ-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070518 1041260752 /nfs/dbraw/zinc/26/07/52/1041260752.db2.gz WWJYAUSJWXPJCQ-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO CCCCNC(=O)C1([NH2+]Cc2cc(C(C)(C)C)on2)CCCCC1 ZINC000571331181 1041271472 /nfs/dbraw/zinc/27/14/72/1041271472.db2.gz RIPSAUOBIIZZHD-UHFFFAOYSA-N 1 2 335.492 3.681 20 0 EHADLO Cc1nc([C@@](C)([NH2+]C[C@@H](OC(C)C)c2ccccc2)C2CC2)no1 ZINC000433322601 1041279086 /nfs/dbraw/zinc/27/90/86/1041279086.db2.gz RHNQOUSEOLHMOE-MJGOQNOKSA-N 1 2 329.444 3.759 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)[nH]1 ZINC000571382674 1041282399 /nfs/dbraw/zinc/28/23/99/1041282399.db2.gz KHXDTWRXGQLHOE-AWEZNQCLSA-N 1 2 328.460 3.841 20 0 EHADLO Cc1nc([C@](C)([NH2+]CCOc2cccc3ccccc32)C2CC2)no1 ZINC000433327333 1041289588 /nfs/dbraw/zinc/28/95/88/1041289588.db2.gz RTZRJTNEGXBAGE-HXUWFJFHSA-N 1 2 337.423 3.825 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000571428275 1041292986 /nfs/dbraw/zinc/29/29/86/1041292986.db2.gz PSVXRURCKSADDP-YJBOKZPZSA-N 1 2 325.456 3.658 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000500385238 1041298832 /nfs/dbraw/zinc/29/88/32/1041298832.db2.gz QXWZQYXHMRZSJU-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000500385238 1041298842 /nfs/dbraw/zinc/29/88/42/1041298842.db2.gz QXWZQYXHMRZSJU-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3nccn3C(F)F)CC2)cc1 ZINC000195129900 1041387636 /nfs/dbraw/zinc/38/76/36/1041387636.db2.gz GINDGYWAVVXBKC-UHFFFAOYSA-N 1 2 335.398 3.742 20 0 EHADLO Cc1csc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1Cl ZINC000364473356 1041404058 /nfs/dbraw/zinc/40/40/58/1041404058.db2.gz SDJYNRBZYYGNJF-UHFFFAOYSA-N 1 2 349.818 3.965 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000419339453 1041416513 /nfs/dbraw/zinc/41/65/13/1041416513.db2.gz XQZYIJQENULVJX-UHFFFAOYSA-N 1 2 332.297 3.510 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)CCC(=O)N3C)c2c([nH+]1)CCCC2 ZINC000893375648 1041437995 /nfs/dbraw/zinc/43/79/95/1041437995.db2.gz NUHYKSWOTCORJY-UHFFFAOYSA-N 1 2 335.451 3.790 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000047264696 1041600214 /nfs/dbraw/zinc/60/02/14/1041600214.db2.gz XGMOWSPFEARTEZ-UHFFFAOYSA-N 1 2 326.469 3.738 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000047264696 1041600216 /nfs/dbraw/zinc/60/02/16/1041600216.db2.gz XGMOWSPFEARTEZ-UHFFFAOYSA-N 1 2 326.469 3.738 20 0 EHADLO Fc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1OC(F)F ZINC000660587891 1041706185 /nfs/dbraw/zinc/70/61/85/1041706185.db2.gz WJEBRFFHZFPGJS-GFCCVEGCSA-N 1 2 345.752 3.724 20 0 EHADLO Fc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1OC(F)F ZINC000660587891 1041706193 /nfs/dbraw/zinc/70/61/93/1041706193.db2.gz WJEBRFFHZFPGJS-GFCCVEGCSA-N 1 2 345.752 3.724 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000333095804 1041724648 /nfs/dbraw/zinc/72/46/48/1041724648.db2.gz DMNYRSSHQDDKPE-XIVBQZFQSA-N 1 2 338.455 3.600 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000333095803 1041724902 /nfs/dbraw/zinc/72/49/02/1041724902.db2.gz DMNYRSSHQDDKPE-TWKWOARYSA-N 1 2 338.455 3.600 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2sccc2OC)cc1 ZINC000511859485 1041727702 /nfs/dbraw/zinc/72/77/02/1041727702.db2.gz LQJRGSRZUHUMCF-CQSZACIVSA-N 1 2 346.496 3.758 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2sccc2OC)cc1 ZINC000511859485 1041727708 /nfs/dbraw/zinc/72/77/08/1041727708.db2.gz LQJRGSRZUHUMCF-CQSZACIVSA-N 1 2 346.496 3.758 20 0 EHADLO CC(C)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710578 1041782051 /nfs/dbraw/zinc/78/20/51/1041782051.db2.gz VJPOKAPCLZWOEQ-WBMJQRKESA-N 1 2 348.878 3.609 20 0 EHADLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710578 1041782056 /nfs/dbraw/zinc/78/20/56/1041782056.db2.gz VJPOKAPCLZWOEQ-WBMJQRKESA-N 1 2 348.878 3.609 20 0 EHADLO COCC[C@@H]([NH2+]Cc1coc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000660734621 1041792634 /nfs/dbraw/zinc/79/26/34/1041792634.db2.gz AZMNAZAEGDYIRV-OAHLLOKOSA-N 1 2 328.334 3.869 20 0 EHADLO O=C(CSc1cccc2cccc(Cl)c21)NCCn1cc[nH+]c1 ZINC000043947595 1041793730 /nfs/dbraw/zinc/79/37/30/1041793730.db2.gz HBGLWDDVEBIZOI-UHFFFAOYSA-N 1 2 345.855 3.598 20 0 EHADLO CC(C)c1ccc(C[C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651624040 1041808881 /nfs/dbraw/zinc/80/88/81/1041808881.db2.gz ZZEZBELTQRNPKH-INIZCTEOSA-N 1 2 339.483 3.633 20 0 EHADLO C[C@H](CC(=O)N[C@@H](COc1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001126013755 1041888585 /nfs/dbraw/zinc/88/85/85/1041888585.db2.gz ZVZSKPRDPVIVHK-XLIONFOSSA-N 1 2 349.434 3.771 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2cccc(C)c2)nc1C)c1ccc(C)o1 ZINC000651728880 1041975302 /nfs/dbraw/zinc/97/53/02/1041975302.db2.gz ODZYZENAGAFPJX-LJQANCHMSA-N 1 2 339.439 3.868 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)[nH]1 ZINC000661208375 1042008003 /nfs/dbraw/zinc/00/80/03/1042008003.db2.gz SKWUYNQIYBWAMP-KUHUBIRLSA-N 1 2 336.439 3.816 20 0 EHADLO C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786344 1042032678 /nfs/dbraw/zinc/03/26/78/1042032678.db2.gz SZGMTJWFCQMKPN-BBRMVZONSA-N 1 2 340.870 3.557 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c[nH+]1 ZINC000661291474 1042052808 /nfs/dbraw/zinc/05/28/08/1042052808.db2.gz HKNXHMCKECNKAK-IRXDYDNUSA-N 1 2 345.487 3.624 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cc(C)[nH+]1 ZINC000661329836 1042068209 /nfs/dbraw/zinc/06/82/09/1042068209.db2.gz FHMICRBULKBNKD-SJORKVTESA-N 1 2 345.487 3.624 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000613784136 1042087705 /nfs/dbraw/zinc/08/77/05/1042087705.db2.gz FPOYUBGVPANBHX-ZDUSSCGKSA-N 1 2 334.822 3.707 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000613784136 1042087711 /nfs/dbraw/zinc/08/77/11/1042087711.db2.gz FPOYUBGVPANBHX-ZDUSSCGKSA-N 1 2 334.822 3.707 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccc2c(c1)CCCC2 ZINC000661419615 1042112507 /nfs/dbraw/zinc/11/25/07/1042112507.db2.gz FRAYVIDFAICBSX-KGLIPLIRSA-N 1 2 343.496 3.550 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cscn1 ZINC000661420682 1042112628 /nfs/dbraw/zinc/11/26/28/1042112628.db2.gz KHTVXEUIUGVDNN-CQSZACIVSA-N 1 2 331.485 3.621 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000661463637 1042136481 /nfs/dbraw/zinc/13/64/81/1042136481.db2.gz SAYXFVGAMIXXMZ-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000661463637 1042136483 /nfs/dbraw/zinc/13/64/83/1042136483.db2.gz SAYXFVGAMIXXMZ-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO CCC(CC)n1ccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)n1 ZINC000661474134 1042141098 /nfs/dbraw/zinc/14/10/98/1042141098.db2.gz UXIOXXIAYBLRQM-IBGZPJMESA-N 1 2 331.460 3.730 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001126092290 1042153091 /nfs/dbraw/zinc/15/30/91/1042153091.db2.gz BBWCOHZGBKZGDO-OAHLLOKOSA-N 1 2 327.815 3.739 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534846 1042175950 /nfs/dbraw/zinc/17/59/50/1042175950.db2.gz HJFAYIPLLSEYFT-KBPBESRZSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)C1CCCCC1 ZINC000661534846 1042175956 /nfs/dbraw/zinc/17/59/56/1042175956.db2.gz HJFAYIPLLSEYFT-KBPBESRZSA-N 1 2 343.393 3.574 20 0 EHADLO CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889681 1042209061 /nfs/dbraw/zinc/20/90/61/1042209061.db2.gz RHNQUNVYXUGAFK-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)cc1F ZINC000661660243 1042239672 /nfs/dbraw/zinc/23/96/72/1042239672.db2.gz HTTNQRKLTNZQFJ-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)cc1F ZINC000661660243 1042239676 /nfs/dbraw/zinc/23/96/76/1042239676.db2.gz HTTNQRKLTNZQFJ-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO C[C@H]([NH2+]C1(c2ccccc2Br)CCC1)c1ccn(C)n1 ZINC000652219129 1042275139 /nfs/dbraw/zinc/27/51/39/1042275139.db2.gz WKTKVDQWONNRBP-LBPRGKRZSA-N 1 2 334.261 3.913 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273432 1042299523 /nfs/dbraw/zinc/29/95/23/1042299523.db2.gz IYYNBXFCXJWCBY-UHFFFAOYSA-N 1 2 325.456 3.802 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273432 1042299529 /nfs/dbraw/zinc/29/95/29/1042299529.db2.gz IYYNBXFCXJWCBY-UHFFFAOYSA-N 1 2 325.456 3.802 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1c(F)cccc1F ZINC000613836203 1042329051 /nfs/dbraw/zinc/32/90/51/1042329051.db2.gz RJONIJAJWBHOOP-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1c(F)cccc1F ZINC000613836203 1042329058 /nfs/dbraw/zinc/32/90/58/1042329058.db2.gz RJONIJAJWBHOOP-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661859368 1042367763 /nfs/dbraw/zinc/36/77/63/1042367763.db2.gz VDGGRRGWPQFGNT-HZSPNIEDSA-N 1 2 349.862 3.874 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661859368 1042367773 /nfs/dbraw/zinc/36/77/73/1042367773.db2.gz VDGGRRGWPQFGNT-HZSPNIEDSA-N 1 2 349.862 3.874 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)no1 ZINC000661867649 1042376759 /nfs/dbraw/zinc/37/67/59/1042376759.db2.gz WAIHMJHMNYKVDB-SFHVURJKSA-N 1 2 341.455 3.826 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1sc2ncccc2c1Cl ZINC001126177295 1042417136 /nfs/dbraw/zinc/41/71/36/1042417136.db2.gz DBEMQYQORAUXQM-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCCC4)OC[C@H]3C)o2)cc1 ZINC000661984936 1042443549 /nfs/dbraw/zinc/44/35/49/1042443549.db2.gz NYEKECNUQMSYKP-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCCC4)OC[C@H]3C)o2)cc1 ZINC000661984936 1042443552 /nfs/dbraw/zinc/44/35/52/1042443552.db2.gz NYEKECNUQMSYKP-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000662051261 1042486118 /nfs/dbraw/zinc/48/61/18/1042486118.db2.gz ZKDFVDPPOREFFG-CQSZACIVSA-N 1 2 327.428 3.553 20 0 EHADLO CCCc1sc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1CC ZINC000049934756 1042491112 /nfs/dbraw/zinc/49/11/12/1042491112.db2.gz FTINLOOFUGAAED-UHFFFAOYSA-N 1 2 343.496 3.620 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccccc4)o3)CCC2)c1 ZINC000662109049 1042525115 /nfs/dbraw/zinc/52/51/15/1042525115.db2.gz UWKATYDTAOTMLY-UHFFFAOYSA-N 1 2 335.407 3.914 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1OC ZINC000063517331 1042542341 /nfs/dbraw/zinc/54/23/41/1042542341.db2.gz YBZSYMAKNORYIC-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1OC ZINC000063517331 1042542346 /nfs/dbraw/zinc/54/23/46/1042542346.db2.gz YBZSYMAKNORYIC-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO CC[N@H+](Cc1noc(C)n1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662159076 1042554575 /nfs/dbraw/zinc/55/45/75/1042554575.db2.gz ZMDNZSFTERXRTO-LLVKDONJSA-N 1 2 327.350 3.850 20 0 EHADLO CC[N@@H+](Cc1noc(C)n1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662159076 1042554579 /nfs/dbraw/zinc/55/45/79/1042554579.db2.gz ZMDNZSFTERXRTO-LLVKDONJSA-N 1 2 327.350 3.850 20 0 EHADLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1F ZINC000188257854 1042579182 /nfs/dbraw/zinc/57/91/82/1042579182.db2.gz CAGXDNYWOJYEEH-UHFFFAOYSA-N 1 2 345.805 3.721 20 0 EHADLO C[N@@H+](Cc1noc(Cc2ccccc2)n1)C[C@@H]1CCc2ccccc21 ZINC000662198321 1042584927 /nfs/dbraw/zinc/58/49/27/1042584927.db2.gz HPMPUZKKKHYLTD-SFHVURJKSA-N 1 2 333.435 3.822 20 0 EHADLO C[N@H+](Cc1noc(Cc2ccccc2)n1)C[C@@H]1CCc2ccccc21 ZINC000662198321 1042584930 /nfs/dbraw/zinc/58/49/30/1042584930.db2.gz HPMPUZKKKHYLTD-SFHVURJKSA-N 1 2 333.435 3.822 20 0 EHADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1=CCSC1 ZINC000662266557 1042643121 /nfs/dbraw/zinc/64/31/21/1042643121.db2.gz IPCHQDRTNBNVPC-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1=CCSC1 ZINC000662266557 1042643124 /nfs/dbraw/zinc/64/31/24/1042643124.db2.gz IPCHQDRTNBNVPC-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC1=CCSC1 ZINC000662269147 1042644273 /nfs/dbraw/zinc/64/42/73/1042644273.db2.gz ZMWYUYPZPKFHTI-LBPRGKRZSA-N 1 2 349.887 3.980 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC1=CCSC1 ZINC000662269147 1042644278 /nfs/dbraw/zinc/64/42/78/1042644278.db2.gz ZMWYUYPZPKFHTI-LBPRGKRZSA-N 1 2 349.887 3.980 20 0 EHADLO CCn1cc(CNc2[nH+]c3cc(Br)ccc3n2CC)cn1 ZINC000162049471 1042707794 /nfs/dbraw/zinc/70/77/94/1042707794.db2.gz JVRUPLRPBAJVHW-UHFFFAOYSA-N 1 2 348.248 3.647 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303453917 1042933668 /nfs/dbraw/zinc/93/36/68/1042933668.db2.gz FORZEIGAPVUNMX-MRXNPFEDSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303453917 1042933672 /nfs/dbraw/zinc/93/36/72/1042933672.db2.gz FORZEIGAPVUNMX-MRXNPFEDSA-N 1 2 340.870 3.996 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278922285 1042955003 /nfs/dbraw/zinc/95/50/03/1042955003.db2.gz LRESXXPRGRAZRR-WDEREUQCSA-N 1 2 349.422 3.604 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCC3(C(F)(F)F)CCC3)[nH+]cn2)C1 ZINC000343970508 1042980288 /nfs/dbraw/zinc/98/02/88/1042980288.db2.gz URKGYKXTRCIEMB-GFCCVEGCSA-N 1 2 328.382 3.857 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCC3(C(F)(F)F)CCC3)nc[nH+]2)C1 ZINC000343970508 1042980289 /nfs/dbraw/zinc/98/02/89/1042980289.db2.gz URKGYKXTRCIEMB-GFCCVEGCSA-N 1 2 328.382 3.857 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000052710674 1042996683 /nfs/dbraw/zinc/99/66/83/1042996683.db2.gz KQEFVXSAZNSXJY-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000052710674 1042996686 /nfs/dbraw/zinc/99/66/86/1042996686.db2.gz KQEFVXSAZNSXJY-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1nc3c(s1)C[C@@H](C)CC3)CC2 ZINC000512039644 1043024718 /nfs/dbraw/zinc/02/47/18/1043024718.db2.gz MKIDZMOUWWQHHI-ZDUSSCGKSA-N 1 2 328.481 3.835 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1nc3c(s1)C[C@@H](C)CC3)CC2 ZINC000512039644 1043024723 /nfs/dbraw/zinc/02/47/23/1043024723.db2.gz MKIDZMOUWWQHHI-ZDUSSCGKSA-N 1 2 328.481 3.835 20 0 EHADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000066985903 1043025407 /nfs/dbraw/zinc/02/54/07/1043025407.db2.gz JYOCPRXVQPTMTL-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@@H](CF)c3ccc(F)cc3)cnc21 ZINC000631282836 1043037993 /nfs/dbraw/zinc/03/79/93/1043037993.db2.gz DZSXLLCVHHOJDS-KRWDZBQOSA-N 1 2 330.382 3.952 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000344020796 1043113014 /nfs/dbraw/zinc/11/30/14/1043113014.db2.gz PDCNOKHDVXQARY-PVAVHDDUSA-N 1 2 341.480 3.579 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000344020777 1043113321 /nfs/dbraw/zinc/11/33/21/1043113321.db2.gz PDCNOKHDVXQARY-DJIMGWMZSA-N 1 2 341.480 3.579 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000344026992 1043123243 /nfs/dbraw/zinc/12/32/43/1043123243.db2.gz KBLMWDBUZRGWAG-OAHLLOKOSA-N 1 2 341.455 3.708 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000344040935 1043153538 /nfs/dbraw/zinc/15/35/38/1043153538.db2.gz IXNSMJUJPKAOKF-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000344040935 1043153541 /nfs/dbraw/zinc/15/35/41/1043153541.db2.gz IXNSMJUJPKAOKF-UHFFFAOYSA-N 1 2 333.815 3.752 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)cnn1C ZINC000344066888 1043193463 /nfs/dbraw/zinc/19/34/63/1043193463.db2.gz HYFJBFCUFVGZGM-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)cnn1C ZINC000344066888 1043193468 /nfs/dbraw/zinc/19/34/68/1043193468.db2.gz HYFJBFCUFVGZGM-GFCCVEGCSA-N 1 2 340.290 3.890 20 0 EHADLO CCSCc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000279013595 1043198338 /nfs/dbraw/zinc/19/83/38/1043198338.db2.gz LDSBDGRUQQNYBS-UHFFFAOYSA-N 1 2 329.469 3.567 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)N1CCCCCC1 ZINC000279014643 1043200827 /nfs/dbraw/zinc/20/08/27/1043200827.db2.gz VIKIDRXAQNAHCJ-QWRGUYRKSA-N 1 2 349.422 3.604 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000344098245 1043240110 /nfs/dbraw/zinc/24/01/10/1043240110.db2.gz YGYYMRLAOVFEFZ-CPUCHLNUSA-N 1 2 345.443 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1 ZINC000344098245 1043240119 /nfs/dbraw/zinc/24/01/19/1043240119.db2.gz YGYYMRLAOVFEFZ-CPUCHLNUSA-N 1 2 345.443 3.759 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)c1cncnc1)CCO2 ZINC000344134083 1043307362 /nfs/dbraw/zinc/30/73/62/1043307362.db2.gz ODJPVIZSYYVPQP-TZIWHRDSSA-N 1 2 347.418 3.688 20 0 EHADLO Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000344173549 1043376691 /nfs/dbraw/zinc/37/66/91/1043376691.db2.gz COVRMNOIIXJZGG-SFHVURJKSA-N 1 2 331.419 3.810 20 0 EHADLO CCc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135976 1043418898 /nfs/dbraw/zinc/41/88/98/1043418898.db2.gz NHHXFAPOLYFLQJ-YOEHRIQHSA-N 1 2 329.444 3.890 20 0 EHADLO CCc1nnc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C(C)C)cc3)CCO2)o1 ZINC000279135976 1043418903 /nfs/dbraw/zinc/41/89/03/1043418903.db2.gz NHHXFAPOLYFLQJ-YOEHRIQHSA-N 1 2 329.444 3.890 20 0 EHADLO O=C(NCc1c(F)cccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000344203349 1043420596 /nfs/dbraw/zinc/42/05/96/1043420596.db2.gz WNTXWODESFNEJA-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(Br)cn1)c1nc(C)cs1 ZINC000344223227 1043472148 /nfs/dbraw/zinc/47/21/48/1043472148.db2.gz OAGPYHRFSTZACG-LBPRGKRZSA-N 1 2 326.263 3.850 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000344234258 1043481313 /nfs/dbraw/zinc/48/13/13/1043481313.db2.gz JEJKZEGTGCMOQT-ZAMGYDSWSA-N 1 2 335.419 3.692 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000344234258 1043481318 /nfs/dbraw/zinc/48/13/18/1043481318.db2.gz JEJKZEGTGCMOQT-ZAMGYDSWSA-N 1 2 335.419 3.692 20 0 EHADLO COC[C@H]([NH2+]Cc1ccsc1C(=O)OC)c1cccc(Cl)c1 ZINC000344240867 1043493032 /nfs/dbraw/zinc/49/30/32/1043493032.db2.gz UZULIDORKBFJIF-AWEZNQCLSA-N 1 2 339.844 3.665 20 0 EHADLO Cc1sc(CC(=O)NCCCCNc2cccc[nH+]2)nc1C(C)C ZINC000279189571 1043526009 /nfs/dbraw/zinc/52/60/09/1043526009.db2.gz IRPFYWDXNDAKLK-UHFFFAOYSA-N 1 2 346.500 3.521 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCc3[nH]cc[nH+]3)CCCCC2)c1 ZINC000279200211 1043554330 /nfs/dbraw/zinc/55/43/30/1043554330.db2.gz MORPXGFEOPBKQS-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)s1 ZINC000344297765 1043619101 /nfs/dbraw/zinc/61/91/01/1043619101.db2.gz CSRPBFJXLFNXRM-UHFFFAOYSA-N 1 2 333.505 3.733 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC000279243373 1043633331 /nfs/dbraw/zinc/63/33/31/1043633331.db2.gz QRBCCINAVGUCKT-KSSFIOAISA-N 1 2 341.455 3.995 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076073446 1043672388 /nfs/dbraw/zinc/67/23/88/1043672388.db2.gz RVQLDTPHUBPVSF-ZDUSSCGKSA-N 1 2 340.452 3.714 20 0 EHADLO COc1c(F)cccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001143529992 1043677169 /nfs/dbraw/zinc/67/71/69/1043677169.db2.gz JUXOOLAANWRQMF-UHFFFAOYSA-N 1 2 348.849 3.806 20 0 EHADLO Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)c1 ZINC000162825196 1043793011 /nfs/dbraw/zinc/79/30/11/1043793011.db2.gz SKSNKCLTJXAMQM-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H](c2ccsc2)O1 ZINC000663716807 1043800420 /nfs/dbraw/zinc/80/04/20/1043800420.db2.gz OGIJVELBQLSBMU-SJCJKPOMSA-N 1 2 325.437 3.845 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000150875592 1043813471 /nfs/dbraw/zinc/81/34/71/1043813471.db2.gz GYIFSIGENGEASX-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO COCCn1cnn(C[N@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728902640 1043855145 /nfs/dbraw/zinc/85/51/45/1043855145.db2.gz MFLJTIVRADRBDE-UHFFFAOYSA-N 1 2 348.516 3.566 20 0 EHADLO COCCn1cnn(C[N@@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728902640 1043855166 /nfs/dbraw/zinc/85/51/66/1043855166.db2.gz MFLJTIVRADRBDE-UHFFFAOYSA-N 1 2 348.516 3.566 20 0 EHADLO COc1ccc2[nH]c(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2c1 ZINC000344473987 1044053727 /nfs/dbraw/zinc/05/37/27/1044053727.db2.gz FFAIVYRYRQFKOE-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000753744713 1044111514 /nfs/dbraw/zinc/11/15/14/1044111514.db2.gz FGAKAGWJVOMYHB-OAHLLOKOSA-N 1 2 341.398 3.667 20 0 EHADLO CC(C)(C)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000753744713 1044111520 /nfs/dbraw/zinc/11/15/20/1044111520.db2.gz FGAKAGWJVOMYHB-OAHLLOKOSA-N 1 2 341.398 3.667 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1Cl ZINC000279557693 1044228137 /nfs/dbraw/zinc/22/81/37/1044228137.db2.gz UYTTZKHMDGGKLJ-RISCZKNCSA-N 1 2 335.810 3.707 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000337673136 1044385781 /nfs/dbraw/zinc/38/57/81/1044385781.db2.gz KLUGRLGDXUPCCO-OAQYLSRUSA-N 1 2 340.467 3.553 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000337673136 1044385800 /nfs/dbraw/zinc/38/58/00/1044385800.db2.gz KLUGRLGDXUPCCO-OAQYLSRUSA-N 1 2 340.467 3.553 20 0 EHADLO Cc1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC000010165094 1044422865 /nfs/dbraw/zinc/42/28/65/1044422865.db2.gz DLKFBNUOAHAZCO-UHFFFAOYSA-N 1 2 327.384 3.989 20 0 EHADLO COc1c(Br)cc(F)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001211706210 1044449240 /nfs/dbraw/zinc/44/92/40/1044449240.db2.gz FPHHNEMMFVTFLW-UHFFFAOYSA-N 1 2 340.196 3.801 20 0 EHADLO CC(C)Cc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cn1 ZINC000893702426 1044574398 /nfs/dbraw/zinc/57/43/98/1044574398.db2.gz UQNKHZNOJFHRSW-UHFFFAOYSA-N 1 2 331.460 3.873 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCSC(C)(C)CC3)nc(=O)c2c1C ZINC000279802397 1044686823 /nfs/dbraw/zinc/68/68/23/1044686823.db2.gz WVENJICMSPOBHR-UHFFFAOYSA-N 1 2 337.514 3.731 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCSC(C)(C)CC3)nc(=O)c2c1C ZINC000279802397 1044686836 /nfs/dbraw/zinc/68/68/36/1044686836.db2.gz WVENJICMSPOBHR-UHFFFAOYSA-N 1 2 337.514 3.731 20 0 EHADLO CCc1sc(C(=O)OCCCn2cc[nH+]c2)cc1Br ZINC000815335394 1136586947 /nfs/dbraw/zinc/58/69/47/1136586947.db2.gz ICOVNIYGAAUZDG-UHFFFAOYSA-N 1 2 343.246 3.517 20 0 EHADLO CC(C)(C)c1nc2cc(NC(=O)CCCn3cc[nH+]c3)ccc2o1 ZINC000620412429 1125566582 /nfs/dbraw/zinc/56/65/82/1125566582.db2.gz AFXDDEXIJICDEU-UHFFFAOYSA-N 1 2 326.400 3.741 20 0 EHADLO COc1ccc([C@@H](NC(=O)CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000620409753 1125566790 /nfs/dbraw/zinc/56/67/90/1125566790.db2.gz PYEITDAZOUJQCV-NRFANRHFSA-N 1 2 349.434 3.578 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000620409592 1125567080 /nfs/dbraw/zinc/56/70/80/1125567080.db2.gz BGRKQJZZTYIVGO-UHFFFAOYSA-N 1 2 348.378 3.704 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000620502315 1125583485 /nfs/dbraw/zinc/58/34/85/1125583485.db2.gz LNHIYYYEFDDRLA-QGZVFWFLSA-N 1 2 340.442 3.664 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC1CC1)CC1CC1 ZINC000620631516 1125616108 /nfs/dbraw/zinc/61/61/08/1125616108.db2.gz JCRFTNMSWGLURF-UHFFFAOYSA-N 1 2 347.409 3.662 20 0 EHADLO Cn1cc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000154754203 1125754540 /nfs/dbraw/zinc/75/45/40/1125754540.db2.gz NNCGOCUXOKTYGQ-UHFFFAOYSA-N 1 2 344.418 3.935 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155108024 1125786277 /nfs/dbraw/zinc/78/62/77/1125786277.db2.gz GCBIPOHDEOKLMZ-KRWDZBQOSA-N 1 2 343.471 3.631 20 0 EHADLO CC1(C)C[NH+](CC(=O)NC2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000622473053 1126705020 /nfs/dbraw/zinc/70/50/20/1126705020.db2.gz BRHCQWITXBKUKQ-UHFFFAOYSA-N 1 2 336.426 3.582 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1O ZINC000622468128 1126706915 /nfs/dbraw/zinc/70/69/15/1126706915.db2.gz WLGUTKLTWSWOKS-CYBMUJFWSA-N 1 2 344.842 3.739 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1O ZINC000622468128 1126706918 /nfs/dbraw/zinc/70/69/18/1126706918.db2.gz WLGUTKLTWSWOKS-CYBMUJFWSA-N 1 2 344.842 3.739 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983661 1126728696 /nfs/dbraw/zinc/72/86/96/1126728696.db2.gz VEQUWTCSOYFXAM-BBRMVZONSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983661 1126728698 /nfs/dbraw/zinc/72/86/98/1126728698.db2.gz VEQUWTCSOYFXAM-BBRMVZONSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983022 1126731267 /nfs/dbraw/zinc/73/12/67/1126731267.db2.gz HCXZUTLBMXOECU-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983022 1126731271 /nfs/dbraw/zinc/73/12/71/1126731271.db2.gz HCXZUTLBMXOECU-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1 ZINC000622685913 1126742764 /nfs/dbraw/zinc/74/27/64/1126742764.db2.gz PTDMZMGRXGBXBG-UHFFFAOYSA-N 1 2 339.483 3.742 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000072514651 1126741775 /nfs/dbraw/zinc/74/17/75/1126741775.db2.gz NVGUNLJISCNZEB-KRWDZBQOSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000072514651 1126741779 /nfs/dbraw/zinc/74/17/79/1126741779.db2.gz NVGUNLJISCNZEB-KRWDZBQOSA-N 1 2 347.846 3.572 20 0 EHADLO CCCC[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(OC)cc1 ZINC000171367339 1126763620 /nfs/dbraw/zinc/76/36/20/1126763620.db2.gz QQDGHSFPGHUEQH-INIZCTEOSA-N 1 2 325.416 3.715 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC(C3CC3)C3CC3)c2C1 ZINC000171916616 1126769893 /nfs/dbraw/zinc/76/98/93/1126769893.db2.gz HZKTYLPQDIUAAI-UHFFFAOYSA-N 1 2 349.478 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC(C3CC3)C3CC3)c2C1 ZINC000171916616 1126769896 /nfs/dbraw/zinc/76/98/96/1126769896.db2.gz HZKTYLPQDIUAAI-UHFFFAOYSA-N 1 2 349.478 3.531 20 0 EHADLO CN(C)c1c(Cl)cccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172052629 1126778394 /nfs/dbraw/zinc/77/83/94/1126778394.db2.gz IVUQOLYNAWKXQA-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1ccon1)OCCO3 ZINC000172384092 1126792422 /nfs/dbraw/zinc/79/24/22/1126792422.db2.gz YWVSVBAQCHZDTJ-CQSZACIVSA-N 1 2 340.423 3.834 20 0 EHADLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1ccon1)OCCO3 ZINC000172384092 1126792423 /nfs/dbraw/zinc/79/24/23/1126792423.db2.gz YWVSVBAQCHZDTJ-CQSZACIVSA-N 1 2 340.423 3.834 20 0 EHADLO CCO[C@H](C)c1noc(COc2cc(C)[nH+]c3ccc(OC)cc32)n1 ZINC000172524113 1126798600 /nfs/dbraw/zinc/79/86/00/1126798600.db2.gz PNFWLEYROZHRFD-GFCCVEGCSA-N 1 2 343.383 3.611 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Br)c(C)c2)s1 ZINC000337310852 1126821565 /nfs/dbraw/zinc/82/15/65/1126821565.db2.gz BNZUTFAJRYEBGM-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CCc1ccc(C)nc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000622915756 1126826565 /nfs/dbraw/zinc/82/65/65/1126826565.db2.gz OEQVUHXEMBCMSL-INIZCTEOSA-N 1 2 331.847 3.847 20 0 EHADLO COc1ccccc1[C@@H](NCc1c[nH+]cn1C)c1ccccc1Cl ZINC000174456898 1126853257 /nfs/dbraw/zinc/85/32/57/1126853257.db2.gz WVYXHFDDZRAOHO-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000174482502 1126853414 /nfs/dbraw/zinc/85/34/14/1126853414.db2.gz NSBIJSFAEDZJHR-GOSISDBHSA-N 1 2 343.402 3.644 20 0 EHADLO Cc1cc(Br)ccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000082336120 1126878882 /nfs/dbraw/zinc/87/88/82/1126878882.db2.gz ZGCVHTQEPDLWBX-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CC(C)[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000175664787 1126874713 /nfs/dbraw/zinc/87/47/13/1126874713.db2.gz RGGJVUGALRGYNF-FQEVSTJZSA-N 1 2 333.435 3.928 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000623121073 1126880397 /nfs/dbraw/zinc/88/03/97/1126880397.db2.gz PFMGZARXBATXSE-MRXNPFEDSA-N 1 2 330.394 3.774 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000623121073 1126880399 /nfs/dbraw/zinc/88/03/99/1126880399.db2.gz PFMGZARXBATXSE-MRXNPFEDSA-N 1 2 330.394 3.774 20 0 EHADLO Cc1ccccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000623178150 1126889987 /nfs/dbraw/zinc/88/99/87/1126889987.db2.gz SMRUCQYUKSQMGC-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(O)c(C(C)C)c1 ZINC000623299993 1126910304 /nfs/dbraw/zinc/91/03/04/1126910304.db2.gz GVWJCKVRYQCQBM-OAHLLOKOSA-N 1 2 341.455 3.580 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623342873 1126922939 /nfs/dbraw/zinc/92/29/39/1126922939.db2.gz SGXNWRGXUCNODV-CQSZACIVSA-N 1 2 340.402 3.574 20 0 EHADLO C#CCOc1ccccc1C[NH2+]Cc1coc(-c2ccc(C)cc2)n1 ZINC000072927174 1126935864 /nfs/dbraw/zinc/93/58/64/1126935864.db2.gz DZEMHDGOVYXFAR-UHFFFAOYSA-N 1 2 332.403 3.952 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918638 1126934224 /nfs/dbraw/zinc/93/42/24/1126934224.db2.gz TVQYBFVOZYDTJP-ZFWWWQNUSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918638 1126934226 /nfs/dbraw/zinc/93/42/26/1126934226.db2.gz TVQYBFVOZYDTJP-ZFWWWQNUSA-N 1 2 343.500 3.889 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C(N)=O)c3ccccc3)oc21 ZINC000192794314 1126937681 /nfs/dbraw/zinc/93/76/81/1126937681.db2.gz FDZHIFHZMHIKGB-FZKQIMNGSA-N 1 2 338.407 3.709 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)ncc1Br ZINC000623454899 1126959011 /nfs/dbraw/zinc/95/90/11/1126959011.db2.gz SUECKVHLFIJJET-UHFFFAOYSA-N 1 2 349.276 3.754 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277395 1126980321 /nfs/dbraw/zinc/98/03/21/1126980321.db2.gz PAXRXOKBCNREBI-JOYOIKCWSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277395 1126980322 /nfs/dbraw/zinc/98/03/22/1126980322.db2.gz PAXRXOKBCNREBI-JOYOIKCWSA-N 1 2 338.167 3.509 20 0 EHADLO CCC(F)(F)CNCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000623679178 1127011231 /nfs/dbraw/zinc/01/12/31/1127011231.db2.gz LEOXVEMPILNWAZ-UHFFFAOYSA-N 1 2 332.192 3.540 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178357005 1127015936 /nfs/dbraw/zinc/01/59/36/1127015936.db2.gz GZKQYSNRZHDAEK-HNNXBMFYSA-N 1 2 337.423 3.541 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1F ZINC000179198042 1127050331 /nfs/dbraw/zinc/05/03/31/1127050331.db2.gz FJMUVVAALVHNLL-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1cccc(N2CCCC2=O)c1 ZINC000179285780 1127055182 /nfs/dbraw/zinc/05/51/82/1127055182.db2.gz BDEOULLNKNILOO-AWEZNQCLSA-N 1 2 334.423 3.873 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000179890222 1127097953 /nfs/dbraw/zinc/09/79/53/1127097953.db2.gz NMFAUIFPMSGLAF-CQSZACIVSA-N 1 2 330.403 3.740 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)c1 ZINC000180672080 1127179768 /nfs/dbraw/zinc/17/97/68/1127179768.db2.gz FCUXDPIPTRQGAJ-GFCCVEGCSA-N 1 2 340.427 3.671 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000180905271 1127191740 /nfs/dbraw/zinc/19/17/40/1127191740.db2.gz DRUPLCTUHSREEY-QGZVFWFLSA-N 1 2 325.456 3.659 20 0 EHADLO COc1ccc([C@H](CN[C@H](C)c2nc(C)cs2)[NH+]2CCCC2)cc1 ZINC000623852001 1127202605 /nfs/dbraw/zinc/20/26/05/1127202605.db2.gz NFPAFDRWNMHMNQ-QAPCUYQASA-N 1 2 345.512 3.948 20 0 EHADLO C[C@H](c1ccccn1)N(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623901473 1127210341 /nfs/dbraw/zinc/21/03/41/1127210341.db2.gz ITLKSILDZFSLJK-OAHLLOKOSA-N 1 2 331.423 3.589 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)c(O[C@H]2CCOC2)c1 ZINC000623905124 1127212467 /nfs/dbraw/zinc/21/24/67/1127212467.db2.gz RVNNJMVBXAVKFL-HOTGVXAUSA-N 1 2 344.480 3.786 20 0 EHADLO COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623905284 1127212492 /nfs/dbraw/zinc/21/24/92/1127212492.db2.gz WXJUUFGSWLLJKF-HNNXBMFYSA-N 1 2 332.469 3.644 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623904359 1127212570 /nfs/dbraw/zinc/21/25/70/1127212570.db2.gz AWUDSYDTPRCLIU-GFCCVEGCSA-N 1 2 340.395 3.920 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)c2)[nH+]c1C ZINC000763990359 1127214040 /nfs/dbraw/zinc/21/40/40/1127214040.db2.gz ZUIJQEAAYCIMMW-NHYWBVRUSA-N 1 2 325.412 3.637 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+][C@H]1CCCc3scnc31)CCc1ccccc1-2 ZINC000624017252 1127233908 /nfs/dbraw/zinc/23/39/08/1127233908.db2.gz UUWHUEOHIHYHJW-LSDHHAIUSA-N 1 2 336.464 3.983 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(c3cccnc3)CC1)nc1ccccc12 ZINC000624078021 1127246652 /nfs/dbraw/zinc/24/66/52/1127246652.db2.gz LPTOGHKDDAGNHC-UHFFFAOYSA-N 1 2 329.407 3.662 20 0 EHADLO c1ccc(-c2nc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181227023 1127270801 /nfs/dbraw/zinc/27/08/01/1127270801.db2.gz XIMBSUFKKSDZHA-LPHOPBHVSA-N 1 2 349.434 3.994 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000181659559 1127287800 /nfs/dbraw/zinc/28/78/00/1127287800.db2.gz QLRADJMJQBTKKQ-GOSISDBHSA-N 1 2 343.377 3.628 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181885843 1127301295 /nfs/dbraw/zinc/30/12/95/1127301295.db2.gz SPMICCJKVMTWEX-LSDHHAIUSA-N 1 2 344.459 3.618 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000182886396 1127352655 /nfs/dbraw/zinc/35/26/55/1127352655.db2.gz HZHFIYMWRUOHGQ-LLVKDONJSA-N 1 2 337.345 3.509 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000183120501 1127363284 /nfs/dbraw/zinc/36/32/84/1127363284.db2.gz FVWQZPFBHZNMQD-QMHKHESXSA-N 1 2 346.477 3.613 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccccc1-n1cccn1 ZINC000183176175 1127366238 /nfs/dbraw/zinc/36/62/38/1127366238.db2.gz RIFYRGZEXGTAMA-CQSZACIVSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000184465265 1127405267 /nfs/dbraw/zinc/40/52/67/1127405267.db2.gz YCZLQFBSQMCNTG-NSHDSACASA-N 1 2 335.448 3.869 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)cs1 ZINC000184702008 1127411869 /nfs/dbraw/zinc/41/18/69/1127411869.db2.gz GKFZAAOGBBRLSZ-UONOGXRCSA-N 1 2 325.522 3.687 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)cc(C)c2)o1 ZINC000184837657 1127414553 /nfs/dbraw/zinc/41/45/53/1127414553.db2.gz ASOQXKLGKLBSQU-QAPCUYQASA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2CC)o1 ZINC000184858679 1127415062 /nfs/dbraw/zinc/41/50/62/1127415062.db2.gz ZUCNAKRBBWBVSB-KBXCAEBGSA-N 1 2 344.455 3.709 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000184999645 1127418194 /nfs/dbraw/zinc/41/81/94/1127418194.db2.gz IEMWYQYQHKAWCG-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)s1 ZINC000185020097 1127418854 /nfs/dbraw/zinc/41/88/54/1127418854.db2.gz POBWDMKLOMVZQL-HNFVBEJKSA-N 1 2 335.517 3.672 20 0 EHADLO Cc1cc(Br)c(C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC001127733889 1127454083 /nfs/dbraw/zinc/45/40/83/1127454083.db2.gz QEJUQEVJWNDOMB-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cn(-c2ccccc2)nn1 ZINC000154815112 1127459140 /nfs/dbraw/zinc/45/91/40/1127459140.db2.gz KYYZOFXHAXRWEP-KZULUSFZSA-N 1 2 340.377 3.884 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc(F)c1 ZINC000194996965 1127471321 /nfs/dbraw/zinc/47/13/21/1127471321.db2.gz VJFSFBFSQXCVTM-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc(F)c1 ZINC000194996965 1127471323 /nfs/dbraw/zinc/47/13/23/1127471323.db2.gz VJFSFBFSQXCVTM-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914070 1127550773 /nfs/dbraw/zinc/55/07/73/1127550773.db2.gz GXCNTFWIKBRMMM-HNNXBMFYSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914070 1127550776 /nfs/dbraw/zinc/55/07/76/1127550776.db2.gz GXCNTFWIKBRMMM-HNNXBMFYSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@H](N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383887854 1127561100 /nfs/dbraw/zinc/56/11/00/1127561100.db2.gz LEGAONSNOTTXNZ-GOEBONIOSA-N 1 2 344.528 3.580 20 0 EHADLO C[C@H](N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383887854 1127561101 /nfs/dbraw/zinc/56/11/01/1127561101.db2.gz LEGAONSNOTTXNZ-GOEBONIOSA-N 1 2 344.528 3.580 20 0 EHADLO Cc1nc(CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c(C)s1 ZINC000765051656 1127567061 /nfs/dbraw/zinc/56/70/61/1127567061.db2.gz AYSGNFDWMYEERF-UHFFFAOYSA-N 1 2 340.452 3.948 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C(F)F)cc2)c1C ZINC000765249357 1127588620 /nfs/dbraw/zinc/58/86/20/1127588620.db2.gz YJPHWKKKBNAQQC-UHFFFAOYSA-N 1 2 349.381 3.644 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccon1 ZINC000542650728 1127636335 /nfs/dbraw/zinc/63/63/35/1127636335.db2.gz SULDHSJIDIVDTI-ZNMIVQPWSA-N 1 2 337.423 3.744 20 0 EHADLO CCCOc1ccc(OCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000010895569 1127634427 /nfs/dbraw/zinc/63/44/27/1127634427.db2.gz YVAKILUSRTVRAE-UHFFFAOYSA-N 1 2 339.395 3.678 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924236 1127649245 /nfs/dbraw/zinc/64/92/45/1127649245.db2.gz GGMMQRNGMWOTND-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924236 1127649248 /nfs/dbraw/zinc/64/92/48/1127649248.db2.gz GGMMQRNGMWOTND-ZIAGYGMSSA-N 1 2 328.378 3.905 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000016563968 1127663693 /nfs/dbraw/zinc/66/36/93/1127663693.db2.gz CQFPJDXAUHYSOX-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000016563968 1127663694 /nfs/dbraw/zinc/66/36/94/1127663694.db2.gz CQFPJDXAUHYSOX-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000021671019 1127684475 /nfs/dbraw/zinc/68/44/75/1127684475.db2.gz CITGZAVEDAABEG-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000021671019 1127684477 /nfs/dbraw/zinc/68/44/77/1127684477.db2.gz CITGZAVEDAABEG-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000386483729 1127685188 /nfs/dbraw/zinc/68/51/88/1127685188.db2.gz ITSAVCXLXIFSCM-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000386483729 1127685191 /nfs/dbraw/zinc/68/51/91/1127685191.db2.gz ITSAVCXLXIFSCM-CQSZACIVSA-N 1 2 330.653 3.857 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000386495301 1127686482 /nfs/dbraw/zinc/68/64/82/1127686482.db2.gz SWWDJMUOQCGJQN-UHFFFAOYSA-N 1 2 342.443 3.766 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccsc3)n2)CC1 ZINC000022291531 1127691180 /nfs/dbraw/zinc/69/11/80/1127691180.db2.gz XQBKMMQCXDTWIZ-UHFFFAOYSA-N 1 2 335.498 3.618 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245185 1127703584 /nfs/dbraw/zinc/70/35/84/1127703584.db2.gz OUQMRMINSIKTAN-OLZOCXBDSA-N 1 2 332.444 3.511 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245185 1127703585 /nfs/dbraw/zinc/70/35/85/1127703585.db2.gz OUQMRMINSIKTAN-OLZOCXBDSA-N 1 2 332.444 3.511 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000024754188 1127710851 /nfs/dbraw/zinc/71/08/51/1127710851.db2.gz PFKQRYQBMABOEI-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027474274 1127736889 /nfs/dbraw/zinc/73/68/89/1127736889.db2.gz ATIAIEJWPPRNBG-OAHLLOKOSA-N 1 2 340.492 3.515 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027474274 1127736891 /nfs/dbraw/zinc/73/68/91/1127736891.db2.gz ATIAIEJWPPRNBG-OAHLLOKOSA-N 1 2 340.492 3.515 20 0 EHADLO CC(C)(NC(=O)CNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000921593223 1127756037 /nfs/dbraw/zinc/75/60/37/1127756037.db2.gz LEJMCJLXKVURKS-UHFFFAOYSA-N 1 2 337.345 3.564 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000671659863 1127766772 /nfs/dbraw/zinc/76/67/72/1127766772.db2.gz PUILHXDTQKABDN-ZIAGYGMSSA-N 1 2 344.480 3.918 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccccc1Cl ZINC000026215870 1127770618 /nfs/dbraw/zinc/77/06/18/1127770618.db2.gz HSAMQOPXWAXYDR-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1ccccc1Cl ZINC000026215870 1127770621 /nfs/dbraw/zinc/77/06/21/1127770621.db2.gz HSAMQOPXWAXYDR-CYBMUJFWSA-N 1 2 334.822 3.616 20 0 EHADLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1CCSc2ccccc21 ZINC000027108326 1127777402 /nfs/dbraw/zinc/77/74/02/1127777402.db2.gz QKTRMJPWYXMKGL-UHFFFAOYSA-N 1 2 344.505 3.851 20 0 EHADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1CCSc2ccccc21 ZINC000027108326 1127777403 /nfs/dbraw/zinc/77/74/03/1127777403.db2.gz QKTRMJPWYXMKGL-UHFFFAOYSA-N 1 2 344.505 3.851 20 0 EHADLO CCc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338552062 1127802865 /nfs/dbraw/zinc/80/28/65/1127802865.db2.gz NPLCGGQOTWPLOR-UXHICEINSA-N 1 2 345.446 3.855 20 0 EHADLO NC(=O)CC[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1Cl ZINC000029710193 1127806358 /nfs/dbraw/zinc/80/63/58/1127806358.db2.gz ZAMCGMXYAQIJFL-UHFFFAOYSA-N 1 2 337.250 3.871 20 0 EHADLO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1Cl ZINC000029710193 1127806365 /nfs/dbraw/zinc/80/63/65/1127806365.db2.gz ZAMCGMXYAQIJFL-UHFFFAOYSA-N 1 2 337.250 3.871 20 0 EHADLO CO[C@H](CN1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000338565497 1127817741 /nfs/dbraw/zinc/81/77/41/1127817741.db2.gz XSSMHOPOMLWRJK-QFBILLFUSA-N 1 2 330.497 3.814 20 0 EHADLO COC(=O)Cc1ccc(CNc2cc(C)c(C(F)(F)F)c[nH+]2)cc1 ZINC001168565533 1127819894 /nfs/dbraw/zinc/81/98/94/1127819894.db2.gz UFKCXOUKMVEOIZ-UHFFFAOYSA-N 1 2 338.329 3.736 20 0 EHADLO COc1cnc2ccccc2c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000338583406 1127860758 /nfs/dbraw/zinc/86/07/58/1127860758.db2.gz ZXSGRIPFCKUKTN-UHFFFAOYSA-N 1 2 344.374 3.886 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000041220541 1127873775 /nfs/dbraw/zinc/87/37/75/1127873775.db2.gz KYTLEZOHFIESLR-YLJYHZDGSA-N 1 2 348.450 3.555 20 0 EHADLO CNc1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)c[nH+]1 ZINC000042739449 1127899510 /nfs/dbraw/zinc/89/95/10/1127899510.db2.gz CUVOUQNWHVVWDC-UHFFFAOYSA-N 1 2 328.379 3.872 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCCCC3)n2)C1 ZINC000043467418 1127920436 /nfs/dbraw/zinc/92/04/36/1127920436.db2.gz FDBFHDQBZOEKBN-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCCCC3)n2)C1 ZINC000043467418 1127920439 /nfs/dbraw/zinc/92/04/39/1127920439.db2.gz FDBFHDQBZOEKBN-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C)c(F)c3)cn2c1 ZINC000043507696 1127921385 /nfs/dbraw/zinc/92/13/85/1127921385.db2.gz ZONUVGCMKOULIH-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO O=C(NCc1ccccc1F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517807 1127921405 /nfs/dbraw/zinc/92/14/05/1127921405.db2.gz NBTCZPKMIKTSGU-UHFFFAOYSA-N 1 2 348.447 3.590 20 0 EHADLO Cc1ccccc1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517426 1127921438 /nfs/dbraw/zinc/92/14/38/1127921438.db2.gz CUTKNERUQKHCGH-UHFFFAOYSA-N 1 2 344.484 3.759 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccco3)n2)C1 ZINC000043546109 1127922251 /nfs/dbraw/zinc/92/22/51/1127922251.db2.gz DRKKLLFIFDXWGD-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccco3)n2)C1 ZINC000043546109 1127922254 /nfs/dbraw/zinc/92/22/54/1127922254.db2.gz DRKKLLFIFDXWGD-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCn3cc[nH+]c3)cc2C1 ZINC000043945864 1127929445 /nfs/dbraw/zinc/92/94/45/1127929445.db2.gz ZHZIDJVWMGVXDA-CQSZACIVSA-N 1 2 331.485 3.526 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000045143473 1127946821 /nfs/dbraw/zinc/94/68/21/1127946821.db2.gz CCYORTWWBSMCFN-IBGZPJMESA-N 1 2 335.382 3.989 20 0 EHADLO Oc1c(Cl)cc(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360640 1127980142 /nfs/dbraw/zinc/98/01/42/1127980142.db2.gz ZNAFVMAGHAKXMJ-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046517292 1127981416 /nfs/dbraw/zinc/98/14/16/1127981416.db2.gz MXNAXYWIRYUASO-UHFFFAOYSA-N 1 2 339.370 3.722 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)CCn3cc[nH+]c3)s2)c(C)c1 ZINC000347518094 1128034331 /nfs/dbraw/zinc/03/43/31/1128034331.db2.gz MNLPFJIFQBNDKU-UHFFFAOYSA-N 1 2 326.425 3.652 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000282177572 1128035129 /nfs/dbraw/zinc/03/51/29/1128035129.db2.gz JUXGIUSNDBQOFE-ZDUSSCGKSA-N 1 2 344.484 3.782 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000057264884 1128043499 /nfs/dbraw/zinc/04/34/99/1128043499.db2.gz JIWREQPVSBHHQT-BBRMVZONSA-N 1 2 334.489 3.810 20 0 EHADLO CCc1noc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000671708475 1128044098 /nfs/dbraw/zinc/04/40/98/1128044098.db2.gz FYQBHIKUVAQOCF-OAHLLOKOSA-N 1 2 341.333 3.772 20 0 EHADLO O=C(C=C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193388 1128056751 /nfs/dbraw/zinc/05/67/51/1128056751.db2.gz FFEYTFYCULIDFR-QGZVFWFLSA-N 1 2 327.472 3.816 20 0 EHADLO CCCCn1nnnc1C[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000058016745 1128062098 /nfs/dbraw/zinc/06/20/98/1128062098.db2.gz CNUFSRHFTRKVLS-UHFFFAOYSA-N 1 2 345.466 3.947 20 0 EHADLO CCCCn1nnnc1C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000058016745 1128062102 /nfs/dbraw/zinc/06/21/02/1128062102.db2.gz CNUFSRHFTRKVLS-UHFFFAOYSA-N 1 2 345.466 3.947 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)ccn1 ZINC000347543820 1128066223 /nfs/dbraw/zinc/06/62/23/1128066223.db2.gz REBDRMTWMCTAPZ-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+]CC=Cc3ccc(F)c(F)c3)[nH]2)cc1 ZINC000671716719 1128089386 /nfs/dbraw/zinc/08/93/86/1128089386.db2.gz NNFDSVCRUSGDNY-OWOJBTEDSA-N 1 2 344.340 3.692 20 0 EHADLO Fc1ccc(-c2n[nH]c(C[NH2+]CC=Cc3ccc(F)c(F)c3)n2)cc1 ZINC000671716719 1128089390 /nfs/dbraw/zinc/08/93/90/1128089390.db2.gz NNFDSVCRUSGDNY-OWOJBTEDSA-N 1 2 344.340 3.692 20 0 EHADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000155447193 1128143293 /nfs/dbraw/zinc/14/32/93/1128143293.db2.gz OBWLHDJCUSUQFK-VXGBXAGGSA-N 1 2 349.887 3.628 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000347621770 1128149750 /nfs/dbraw/zinc/14/97/50/1128149750.db2.gz QVQQYXIUUINRJC-QGZVFWFLSA-N 1 2 344.455 3.838 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000064635727 1128172168 /nfs/dbraw/zinc/17/21/68/1128172168.db2.gz FORCXOUCBPCYJN-UHFFFAOYSA-N 1 2 344.421 3.527 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000064635727 1128172169 /nfs/dbraw/zinc/17/21/69/1128172169.db2.gz FORCXOUCBPCYJN-UHFFFAOYSA-N 1 2 344.421 3.527 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)n1 ZINC000064939947 1128181362 /nfs/dbraw/zinc/18/13/62/1128181362.db2.gz WXNXQASJMAIJGU-UHFFFAOYSA-N 1 2 346.481 3.943 20 0 EHADLO OCCNc1[nH+]c2ccccc2n1CCCOc1cccc(Cl)c1 ZINC000065203432 1128186061 /nfs/dbraw/zinc/18/60/61/1128186061.db2.gz JPZZMRXNXIKHPG-UHFFFAOYSA-N 1 2 345.830 3.563 20 0 EHADLO O=C(C[NH2+]Cc1nc(-c2ccccc2)cs1)Nc1cccc(F)c1 ZINC000067695445 1128247108 /nfs/dbraw/zinc/24/71/08/1128247108.db2.gz HWIARZCSHJECTC-UHFFFAOYSA-N 1 2 341.411 3.678 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000066435316 1128217816 /nfs/dbraw/zinc/21/78/16/1128217816.db2.gz KECXPMZLWJJGAU-MJGOQNOKSA-N 1 2 336.545 3.504 20 0 EHADLO C[C@@H](CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000066714946 1128224754 /nfs/dbraw/zinc/22/47/54/1128224754.db2.gz NUMRVMFCAYMIGW-KRWDZBQOSA-N 1 2 333.435 3.807 20 0 EHADLO CCC[C@@H](C)CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001687461797 1128239381 /nfs/dbraw/zinc/23/93/81/1128239381.db2.gz SURRAZLTGHCRCZ-CVEARBPZSA-N 1 2 337.533 3.963 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cc(C)nc(-c3ccccn3)n2)c1C ZINC000068694426 1128272416 /nfs/dbraw/zinc/27/24/16/1128272416.db2.gz AWNNCBSDXHAZIW-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(Br)ccc2Cl)cn1 ZINC000072988910 1128312806 /nfs/dbraw/zinc/31/28/06/1128312806.db2.gz USMRYRVGGCKMEL-UHFFFAOYSA-N 1 2 342.668 3.951 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(Br)ccc2Cl)cn1 ZINC000072988910 1128312810 /nfs/dbraw/zinc/31/28/10/1128312810.db2.gz USMRYRVGGCKMEL-UHFFFAOYSA-N 1 2 342.668 3.951 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000186234582 1128354330 /nfs/dbraw/zinc/35/43/30/1128354330.db2.gz DMRBKGAUAYIBGE-MWLCHTKSSA-N 1 2 332.213 3.514 20 0 EHADLO C[C@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C(F)(F)F ZINC000624467947 1128369446 /nfs/dbraw/zinc/36/94/46/1128369446.db2.gz LVLJZOQRGNYSOX-LLVKDONJSA-N 1 2 336.317 3.722 20 0 EHADLO CC(C)O[C@@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C1(C)C ZINC000765810527 1128422831 /nfs/dbraw/zinc/42/28/31/1128422831.db2.gz NDKHSUZLAIOGSW-RBUKOAKNSA-N 1 2 343.471 3.966 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1nnc2n1CCCCC2 ZINC000921654474 1128435895 /nfs/dbraw/zinc/43/58/95/1128435895.db2.gz FQHDSDGVNTZXNM-KRWDZBQOSA-N 1 2 339.487 3.519 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3OCC[C@H]3C(C)C)cc2)[nH+]c1C ZINC000921654626 1128436660 /nfs/dbraw/zinc/43/66/60/1128436660.db2.gz KBWWBTBATSFBIU-IRXDYDNUSA-N 1 2 327.428 3.693 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)COCC3CCCC3)cc2)[nH+]c1C ZINC000921657738 1128438761 /nfs/dbraw/zinc/43/87/61/1128438761.db2.gz ZUUBBVNFBREGIQ-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO Cc1cccc(CNCc2cn3c([nH+]2)CCCC3)c1Br ZINC000921658063 1128438823 /nfs/dbraw/zinc/43/88/23/1128438823.db2.gz KPWDWZCFPZTSMH-UHFFFAOYSA-N 1 2 334.261 3.580 20 0 EHADLO Cc1cccc(C[NH2+]Cc2cn3c(n2)CCCC3)c1Br ZINC000921658063 1128438827 /nfs/dbraw/zinc/43/88/27/1128438827.db2.gz KPWDWZCFPZTSMH-UHFFFAOYSA-N 1 2 334.261 3.580 20 0 EHADLO COC1CCC(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CC1 ZINC000921663672 1128441550 /nfs/dbraw/zinc/44/15/50/1128441550.db2.gz YOLMHMKLZHCNNA-UHFFFAOYSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@]3(C)Br)cc2)[nH+]c1C ZINC000921668624 1128448341 /nfs/dbraw/zinc/44/83/41/1128448341.db2.gz HUPOIBMASFDTSV-XJKSGUPXSA-N 1 2 348.244 3.806 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)cc(F)c1Br)n1cc[nH+]c1 ZINC001128037756 1128458776 /nfs/dbraw/zinc/45/87/76/1128458776.db2.gz WYWYTMUDCFSYAN-MRVPVSSYSA-N 1 2 344.159 3.514 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168628481 1128484665 /nfs/dbraw/zinc/48/46/65/1128484665.db2.gz FLAXRXADWQFPQT-NZSAHSFTSA-N 1 2 349.471 3.627 20 0 EHADLO CC1(C)Cc2cc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000268320663 1128493985 /nfs/dbraw/zinc/49/39/85/1128493985.db2.gz JWULRCYUKMDOOO-CYBMUJFWSA-N 1 2 340.427 3.535 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c1ccco1 ZINC000347635742 1128497760 /nfs/dbraw/zinc/49/77/60/1128497760.db2.gz LMQSORGUYCKVBG-DLBZAZTESA-N 1 2 338.492 3.617 20 0 EHADLO CCC[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccn1 ZINC000921684006 1128513627 /nfs/dbraw/zinc/51/36/27/1128513627.db2.gz NVZIRWCVCKCZIC-AWEZNQCLSA-N 1 2 327.457 3.570 20 0 EHADLO CC(C)C(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001128094691 1128550902 /nfs/dbraw/zinc/55/09/02/1128550902.db2.gz MOVIEQFHISQLIG-KRWDZBQOSA-N 1 2 334.529 3.575 20 0 EHADLO CCN(Cc1ccccc1NCc1c[nH+]c2ccc(C)cn12)C(C)=O ZINC000155954668 1128571198 /nfs/dbraw/zinc/57/11/98/1128571198.db2.gz ILKQUXUCFKCLHO-UHFFFAOYSA-N 1 2 336.439 3.623 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000057375292 1128634101 /nfs/dbraw/zinc/63/41/01/1128634101.db2.gz GJAUWVAXZBTILV-QGZVFWFLSA-N 1 2 346.862 3.767 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000303681601 1128687742 /nfs/dbraw/zinc/68/77/42/1128687742.db2.gz MNLCVKLHHYRBCH-UHFFFAOYSA-N 1 2 333.435 3.932 20 0 EHADLO COc1cc(Br)ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000542855561 1128695519 /nfs/dbraw/zinc/69/55/19/1128695519.db2.gz SXQHEAZNIJKPKH-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO COc1cc(Br)ccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000542855561 1128695522 /nfs/dbraw/zinc/69/55/22/1128695522.db2.gz SXQHEAZNIJKPKH-LBPRGKRZSA-N 1 2 335.245 3.836 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cccc(N(C)C)c3)CCCCCC2)no1 ZINC000072582457 1128727917 /nfs/dbraw/zinc/72/79/17/1128727917.db2.gz PRNRBYJGKJNOHP-UHFFFAOYSA-N 1 2 328.460 3.783 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338738084 1128796967 /nfs/dbraw/zinc/79/69/67/1128796967.db2.gz XFMODLMMMLFMDG-UHFFFAOYSA-N 1 2 327.428 3.608 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156472 1128820557 /nfs/dbraw/zinc/82/05/57/1128820557.db2.gz PDLBSQPVARAYKR-QVFKTBPPSA-N 1 2 343.515 3.947 20 0 EHADLO O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000074859444 1128828583 /nfs/dbraw/zinc/82/85/83/1128828583.db2.gz XIKRVVIHADLDSS-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO COc1c[nH+]c(NCc2ccoc2C)nc1NCc1ccoc1C ZINC000672186332 1128840880 /nfs/dbraw/zinc/84/08/80/1128840880.db2.gz STHUQMPWYVBHSB-UHFFFAOYSA-N 1 2 328.372 3.512 20 0 EHADLO COc1cc(C[N@H+](C)Cc2oc(C)nc2C)c(SC)cc1OC ZINC000685565050 1128853059 /nfs/dbraw/zinc/85/30/59/1128853059.db2.gz AARPAFKZZYKWSN-UHFFFAOYSA-N 1 2 336.457 3.663 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2oc(C)nc2C)c(SC)cc1OC ZINC000685565050 1128853063 /nfs/dbraw/zinc/85/30/63/1128853063.db2.gz AARPAFKZZYKWSN-UHFFFAOYSA-N 1 2 336.457 3.663 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ncnn2C)[C@@H]2CCc3ccccc32)cc1 ZINC000172721818 1128855223 /nfs/dbraw/zinc/85/52/23/1128855223.db2.gz SHMHHLVXOYDXRX-HXUWFJFHSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ncnn2C)[C@@H]2CCc3ccccc32)cc1 ZINC000172721818 1128855231 /nfs/dbraw/zinc/85/52/31/1128855231.db2.gz SHMHHLVXOYDXRX-HXUWFJFHSA-N 1 2 332.451 3.813 20 0 EHADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(Br)cc1 ZINC000347672006 1128862275 /nfs/dbraw/zinc/86/22/75/1128862275.db2.gz AJKWFISNPWYADR-UHFFFAOYSA-N 1 2 330.176 3.673 20 0 EHADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(Br)cc1 ZINC000347672006 1128862277 /nfs/dbraw/zinc/86/22/77/1128862277.db2.gz AJKWFISNPWYADR-UHFFFAOYSA-N 1 2 330.176 3.673 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000075537604 1128865653 /nfs/dbraw/zinc/86/56/53/1128865653.db2.gz NYXRICJOGXTRBL-OAHLLOKOSA-N 1 2 340.452 3.896 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000075537603 1128865732 /nfs/dbraw/zinc/86/57/32/1128865732.db2.gz NYXRICJOGXTRBL-HNNXBMFYSA-N 1 2 340.452 3.896 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001648895339 1120062879 /nfs/dbraw/zinc/06/28/79/1120062879.db2.gz LDSLRKOCWJSSMK-UHFFFAOYSA-N 1 2 334.485 3.756 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)nc1 ZINC001670648177 1120095573 /nfs/dbraw/zinc/09/55/73/1120095573.db2.gz CVAVTKUNMILVOE-KRWDZBQOSA-N 1 2 340.427 3.779 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687360954 1120176092 /nfs/dbraw/zinc/17/60/92/1120176092.db2.gz MJNCOOVHKRHDNR-GOSISDBHSA-N 1 2 331.504 3.887 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687360954 1120176094 /nfs/dbraw/zinc/17/60/94/1120176094.db2.gz MJNCOOVHKRHDNR-GOSISDBHSA-N 1 2 331.504 3.887 20 0 EHADLO CCc1nnc(N2CCCC(C)(C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001709108513 1120193192 /nfs/dbraw/zinc/19/31/92/1120193192.db2.gz DRAUCLGAVORIOC-UHFFFAOYSA-N 1 2 341.503 3.803 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110189376 1120244082 /nfs/dbraw/zinc/24/40/82/1120244082.db2.gz RTBLRYDAKNHMCS-CQSZACIVSA-N 1 2 340.414 3.826 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110189376 1120244083 /nfs/dbraw/zinc/24/40/83/1120244083.db2.gz RTBLRYDAKNHMCS-CQSZACIVSA-N 1 2 340.414 3.826 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000355244663 1128907841 /nfs/dbraw/zinc/90/78/41/1128907841.db2.gz AQNDZRJQSBIDGS-UHFFFAOYSA-N 1 2 325.456 3.620 20 0 EHADLO Cc1sc(C(=O)NCc2c[nH+]cn2C)cc1-c1ccc(F)cc1 ZINC000355252952 1128909149 /nfs/dbraw/zinc/90/91/49/1128909149.db2.gz HPTWOINHNOIHTD-UHFFFAOYSA-N 1 2 329.400 3.526 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000542476753 1120396852 /nfs/dbraw/zinc/39/68/52/1120396852.db2.gz TZBJYHSQSNQBST-FQEVSTJZSA-N 1 2 337.398 3.894 20 0 EHADLO Cc1cccn2c(CN3CCO[C@H](c4cccc(Cl)c4)C3)c[nH+]c12 ZINC000185644302 1120423210 /nfs/dbraw/zinc/42/32/10/1120423210.db2.gz YXTLVZRDQPGEBS-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185711331 1120425959 /nfs/dbraw/zinc/42/59/59/1120425959.db2.gz KPOQZSQWAXZTBM-HPNQWNLUSA-N 1 2 344.499 3.917 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185711331 1120425961 /nfs/dbraw/zinc/42/59/61/1120425961.db2.gz KPOQZSQWAXZTBM-HPNQWNLUSA-N 1 2 344.499 3.917 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC001626011542 1120510932 /nfs/dbraw/zinc/51/09/32/1120510932.db2.gz QTMJNLDTOLZYKK-OAHLLOKOSA-N 1 2 335.407 3.697 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC001626011542 1120510937 /nfs/dbraw/zinc/51/09/37/1120510937.db2.gz QTMJNLDTOLZYKK-OAHLLOKOSA-N 1 2 335.407 3.697 20 0 EHADLO C[C@@H](NC(=O)N1CCCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470837 1128922318 /nfs/dbraw/zinc/92/23/18/1128922318.db2.gz VFBXUGVPHUABQO-HZPDHXFCSA-N 1 2 326.444 3.907 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000494380299 1120547342 /nfs/dbraw/zinc/54/73/42/1120547342.db2.gz GEPBNJWWUCLAOY-KFWWJZLASA-N 1 2 335.448 3.518 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000494380299 1120547347 /nfs/dbraw/zinc/54/73/47/1120547347.db2.gz GEPBNJWWUCLAOY-KFWWJZLASA-N 1 2 335.448 3.518 20 0 EHADLO O=C(NCc1ccc(Cl)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189339977 1120578963 /nfs/dbraw/zinc/57/89/63/1120578963.db2.gz NYAPDDKDTRIYGO-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@@H]1C(F)(F)F ZINC000190181981 1120629254 /nfs/dbraw/zinc/62/92/54/1120629254.db2.gz YTQGXDNKKYJXLH-NSHDSACASA-N 1 2 349.784 3.584 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@@H]1C(F)(F)F ZINC000190181981 1120629258 /nfs/dbraw/zinc/62/92/58/1120629258.db2.gz YTQGXDNKKYJXLH-NSHDSACASA-N 1 2 349.784 3.584 20 0 EHADLO C[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)c1cn[nH]c1 ZINC000494615341 1120690442 /nfs/dbraw/zinc/69/04/42/1120690442.db2.gz BNASCGIKZPNBNZ-JTQLQIEISA-N 1 2 347.216 3.678 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000494628055 1120706403 /nfs/dbraw/zinc/70/64/03/1120706403.db2.gz AMGNLKULSZKOOC-CYBMUJFWSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000494646720 1120712552 /nfs/dbraw/zinc/71/25/52/1120712552.db2.gz KHMASCZISHCBJI-HNNXBMFYSA-N 1 2 328.437 3.843 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000494688255 1120721611 /nfs/dbraw/zinc/72/16/11/1120721611.db2.gz FAKBQPUMYSGZES-HNNXBMFYSA-N 1 2 332.400 3.674 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421424 1120734798 /nfs/dbraw/zinc/73/47/98/1120734798.db2.gz AGBWRDRUYIJSGE-UHFFFAOYSA-N 1 2 331.178 3.541 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2cccc(F)c2)c1C ZINC000195006976 1120759924 /nfs/dbraw/zinc/75/99/24/1120759924.db2.gz UYBUGCFJXLDIBI-ZDUSSCGKSA-N 1 2 344.430 3.683 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000193753471 1120795698 /nfs/dbraw/zinc/79/56/98/1120795698.db2.gz RUGUMXLEYIPXFU-GOSISDBHSA-N 1 2 339.483 3.807 20 0 EHADLO CCCc1occc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000282319389 1128941011 /nfs/dbraw/zinc/94/10/11/1128941011.db2.gz SXKYILMERNLODL-UHFFFAOYSA-N 1 2 341.455 3.785 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193971269 1120813126 /nfs/dbraw/zinc/81/31/26/1120813126.db2.gz NNBQXLRZFPVLDY-LPHOPBHVSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193986312 1120814531 /nfs/dbraw/zinc/81/45/31/1120814531.db2.gz ZPZIVEJBPHDIDX-HNNXBMFYSA-N 1 2 349.413 3.652 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193986312 1120814533 /nfs/dbraw/zinc/81/45/33/1120814533.db2.gz ZPZIVEJBPHDIDX-HNNXBMFYSA-N 1 2 349.413 3.652 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903863 1120836528 /nfs/dbraw/zinc/83/65/28/1120836528.db2.gz IUDVECIWWVPVSU-CABCVRRESA-N 1 2 341.455 3.558 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903863 1120836532 /nfs/dbraw/zinc/83/65/32/1120836532.db2.gz IUDVECIWWVPVSU-CABCVRRESA-N 1 2 341.455 3.558 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653909003 1120864404 /nfs/dbraw/zinc/86/44/04/1120864404.db2.gz ZVGIPDXXBHRZBT-LSDHHAIUSA-N 1 2 342.443 3.616 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653909003 1120864407 /nfs/dbraw/zinc/86/44/07/1120864407.db2.gz ZVGIPDXXBHRZBT-LSDHHAIUSA-N 1 2 342.443 3.616 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)COCc1ccccc1 ZINC000494915360 1120900326 /nfs/dbraw/zinc/90/03/26/1120900326.db2.gz OFRBZOKPOFFOMD-QFBILLFUSA-N 1 2 342.487 3.869 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c2=S)c(C)c1 ZINC000914568375 1120902905 /nfs/dbraw/zinc/90/29/05/1120902905.db2.gz FZAAOTRXIFUOAQ-AWEZNQCLSA-N 1 2 333.505 3.739 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+](C)[C@@H](C)C(C)(C)C)c2=S)c(C)c1 ZINC000914568375 1120902909 /nfs/dbraw/zinc/90/29/09/1120902909.db2.gz FZAAOTRXIFUOAQ-AWEZNQCLSA-N 1 2 333.505 3.739 20 0 EHADLO CC[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1nc(-c2ccccc2)c[nH]1 ZINC000542960936 1128948560 /nfs/dbraw/zinc/94/85/60/1128948560.db2.gz FQXBNXKMMAEGQO-MRXNPFEDSA-N 1 2 349.438 3.783 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000494998776 1120925855 /nfs/dbraw/zinc/92/58/55/1120925855.db2.gz PZSMBRLZNUUFMU-DJIMGWMZSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000494998776 1120925858 /nfs/dbraw/zinc/92/58/58/1120925858.db2.gz PZSMBRLZNUUFMU-DJIMGWMZSA-N 1 2 339.863 3.507 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1c(F)cccc1F ZINC000171613973 1120943114 /nfs/dbraw/zinc/94/31/14/1120943114.db2.gz IMWXZMUZSPRJMO-GOSISDBHSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1c(F)cccc1F ZINC000171613973 1120943116 /nfs/dbraw/zinc/94/31/16/1120943116.db2.gz IMWXZMUZSPRJMO-GOSISDBHSA-N 1 2 328.362 3.538 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)NCCCn3cc[nH+]c3)cc2C1 ZINC000301197638 1121052179 /nfs/dbraw/zinc/05/21/79/1121052179.db2.gz MDVKNJCYGLKOQK-HNNXBMFYSA-N 1 2 345.512 3.916 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)sc1C ZINC000301747075 1121065964 /nfs/dbraw/zinc/06/59/64/1121065964.db2.gz BMTMESMOIIZOKH-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(C(C)C)n2)n1 ZINC000762053898 1121074816 /nfs/dbraw/zinc/07/48/16/1121074816.db2.gz UWCHXKZWKXWBDW-UHFFFAOYSA-N 1 2 332.473 3.756 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000232398789 1121112437 /nfs/dbraw/zinc/11/24/37/1121112437.db2.gz YEBWXHUPCZQWHO-HJIKLVIJSA-N 1 2 329.227 3.558 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC4(CCC4)C[C@H]3C)[nH]2)cc1 ZINC000762136944 1121121578 /nfs/dbraw/zinc/12/15/78/1121121578.db2.gz GGZWLVNOYIBEFN-CYBMUJFWSA-N 1 2 344.484 3.838 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC4(CCC4)C[C@H]3C)[nH]2)cc1 ZINC000762136944 1121121582 /nfs/dbraw/zinc/12/15/82/1121121582.db2.gz GGZWLVNOYIBEFN-CYBMUJFWSA-N 1 2 344.484 3.838 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762138900 1121126010 /nfs/dbraw/zinc/12/60/10/1121126010.db2.gz NTEVDQSCCMMTDP-HNNXBMFYSA-N 1 2 328.485 3.934 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762138900 1121126015 /nfs/dbraw/zinc/12/60/15/1121126015.db2.gz NTEVDQSCCMMTDP-HNNXBMFYSA-N 1 2 328.485 3.934 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2ccc(C)c(C)c2)cc1OC ZINC000762213386 1121182891 /nfs/dbraw/zinc/18/28/91/1121182891.db2.gz ZFLIZAGRQXFAKW-UHFFFAOYSA-N 1 2 328.412 3.562 20 0 EHADLO C/C=C/C=C\C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000915178914 1121232704 /nfs/dbraw/zinc/23/27/04/1121232704.db2.gz SEPBHGHKEMIDGY-MBBLNVMBSA-N 1 2 336.838 3.865 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nnn(-c3ccccc3)c2=S)[C@@H]2CCCC[C@@H]12 ZINC000915209689 1121253588 /nfs/dbraw/zinc/25/35/88/1121253588.db2.gz MRTRJJIHSPEZLJ-HYVNUMGLSA-N 1 2 343.500 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)[C@@H]2CCCC[C@@H]12 ZINC000915209689 1121253591 /nfs/dbraw/zinc/25/35/91/1121253591.db2.gz MRTRJJIHSPEZLJ-HYVNUMGLSA-N 1 2 343.500 3.656 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000915209469 1121253731 /nfs/dbraw/zinc/25/37/31/1121253731.db2.gz XHJGUZPBEPDBQY-MRXNPFEDSA-N 1 2 335.451 3.997 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000915209469 1121253734 /nfs/dbraw/zinc/25/37/34/1121253734.db2.gz XHJGUZPBEPDBQY-MRXNPFEDSA-N 1 2 335.451 3.997 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(Cc3ccc(OC)cc3)oc2=S)C1 ZINC000915209937 1121254267 /nfs/dbraw/zinc/25/42/67/1121254267.db2.gz WGMLYSWVURXDOM-CQSZACIVSA-N 1 2 347.484 3.884 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(Cc3ccc(OC)cc3)oc2=S)C1 ZINC000915209937 1121254273 /nfs/dbraw/zinc/25/42/73/1121254273.db2.gz WGMLYSWVURXDOM-CQSZACIVSA-N 1 2 347.484 3.884 20 0 EHADLO CC(=O)c1cc(Br)ccc1OCc1cc[nH+]c(N(C)C)c1 ZINC000762470977 1121314607 /nfs/dbraw/zinc/31/46/07/1121314607.db2.gz HNXFSZHCLHVWOS-UHFFFAOYSA-N 1 2 349.228 3.692 20 0 EHADLO CCc1sc(=O)n(Cc2cc[nH+]c(N(C)C)c2)c1-c1ccccc1 ZINC000762482864 1121323042 /nfs/dbraw/zinc/32/30/42/1121323042.db2.gz YWUJICUKHYJUNW-UHFFFAOYSA-N 1 2 339.464 3.649 20 0 EHADLO Cc1ccc(-c2nnc(C[NH+]3CCN(c4cccc(C)c4)CC3)o2)cc1 ZINC000025931014 1121638517 /nfs/dbraw/zinc/63/85/17/1121638517.db2.gz BIBINVRELQFQDG-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000762991341 1121642560 /nfs/dbraw/zinc/64/25/60/1121642560.db2.gz QZNKAHSFYAGJGD-GFCCVEGCSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000762991341 1121642565 /nfs/dbraw/zinc/64/25/65/1121642565.db2.gz QZNKAHSFYAGJGD-GFCCVEGCSA-N 1 2 346.418 3.744 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000193792697 1121653290 /nfs/dbraw/zinc/65/32/90/1121653290.db2.gz OIZRDVSKWGYVBC-NVXWUHKLSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000193792711 1121653566 /nfs/dbraw/zinc/65/35/66/1121653566.db2.gz OIZRDVSKWGYVBC-DOTOQJQBSA-N 1 2 326.444 3.592 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000763049152 1121664653 /nfs/dbraw/zinc/66/46/53/1121664653.db2.gz QWLKWQKCTIGOBO-CQSZACIVSA-N 1 2 331.485 3.970 20 0 EHADLO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000921994411 1129006319 /nfs/dbraw/zinc/00/63/19/1129006319.db2.gz MZAMZULGRRMYLJ-UHFFFAOYSA-N 1 2 338.238 3.819 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1ccccc1NCc1ccco1 ZINC000153752618 1121690174 /nfs/dbraw/zinc/69/01/74/1121690174.db2.gz OECTXRZACDKAPF-UHFFFAOYSA-N 1 2 342.786 3.697 20 0 EHADLO C[N@H+](Cc1csc(C2CC2)n1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496124951 1121704062 /nfs/dbraw/zinc/70/40/62/1121704062.db2.gz RGQVGWCYROGHEE-UHFFFAOYSA-N 1 2 337.489 3.508 20 0 EHADLO C[N@@H+](Cc1csc(C2CC2)n1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496124951 1121704066 /nfs/dbraw/zinc/70/40/66/1121704066.db2.gz RGQVGWCYROGHEE-UHFFFAOYSA-N 1 2 337.489 3.508 20 0 EHADLO CCc1cccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000054224914 1121749475 /nfs/dbraw/zinc/74/94/75/1121749475.db2.gz BIWXJAXUAFNRLC-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2cnco2)cc1 ZINC000054570768 1121771030 /nfs/dbraw/zinc/77/10/30/1121771030.db2.gz FURQYRUROZLROV-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2csc(-c3ccccn3)n2)c1 ZINC000055102077 1121795586 /nfs/dbraw/zinc/79/55/86/1121795586.db2.gz IKTXQTPUQVWLAM-UHFFFAOYSA-N 1 2 325.437 3.846 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2csc(-c3ccccn3)n2)c1 ZINC000055102077 1121795592 /nfs/dbraw/zinc/79/55/92/1121795592.db2.gz IKTXQTPUQVWLAM-UHFFFAOYSA-N 1 2 325.437 3.846 20 0 EHADLO O=C(CCCc1cccs1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696041 1121857720 /nfs/dbraw/zinc/85/77/20/1121857720.db2.gz CBVOJBXDNYEPIU-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000922006009 1129020610 /nfs/dbraw/zinc/02/06/10/1129020610.db2.gz AVVJHGHKMKENDT-UHFFFAOYSA-N 1 2 328.847 3.955 20 0 EHADLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)ccc1NC(=O)OC(C)(C)C ZINC000496389154 1122071126 /nfs/dbraw/zinc/07/11/26/1122071126.db2.gz WNTUVKFYCRUMGM-UHFFFAOYSA-N 1 2 346.431 3.994 20 0 EHADLO Nc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c[nH+]1 ZINC000916260610 1122106012 /nfs/dbraw/zinc/10/60/12/1122106012.db2.gz NIKLITGQBOHEQM-UHFFFAOYSA-N 1 2 343.481 3.535 20 0 EHADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000123692947 1122261139 /nfs/dbraw/zinc/26/11/39/1122261139.db2.gz GOJFSYMJKHMNLZ-INIZCTEOSA-N 1 2 346.377 3.597 20 0 EHADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000123692947 1122261143 /nfs/dbraw/zinc/26/11/43/1122261143.db2.gz GOJFSYMJKHMNLZ-INIZCTEOSA-N 1 2 346.377 3.597 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000124857867 1122297521 /nfs/dbraw/zinc/29/75/21/1122297521.db2.gz FDTHSNBZYVYNKW-SFHVURJKSA-N 1 2 340.471 3.653 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125641705 1122322874 /nfs/dbraw/zinc/32/28/74/1122322874.db2.gz BXJROEKHJROCBM-LJQANCHMSA-N 1 2 348.450 3.883 20 0 EHADLO CCc1ncc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)s1 ZINC000497230816 1122388977 /nfs/dbraw/zinc/38/89/77/1122388977.db2.gz SWZXZFADJNVLNC-UHFFFAOYSA-N 1 2 348.472 3.737 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000126298019 1122400194 /nfs/dbraw/zinc/40/01/94/1122400194.db2.gz PSUMJXKDPNTWRL-SJLPKXTDSA-N 1 2 344.499 3.982 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@@H]2C[C@@H]21 ZINC000672710055 1129054076 /nfs/dbraw/zinc/05/40/76/1129054076.db2.gz PRWUSCBWFZYWKL-KDOFPFPSSA-N 1 2 334.423 3.618 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)C(=O)OC(C)(C)C ZINC000497611779 1122608586 /nfs/dbraw/zinc/60/85/86/1122608586.db2.gz PYPJYYHIAKBYQD-MPGHIAIKSA-N 1 2 348.487 3.750 20 0 EHADLO C[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000128495341 1122610309 /nfs/dbraw/zinc/61/03/09/1122610309.db2.gz VGOFGXOLJHHIGD-INIZCTEOSA-N 1 2 349.434 3.721 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CCOCc2ccccc2)n1 ZINC000918148824 1122766746 /nfs/dbraw/zinc/76/67/46/1122766746.db2.gz MYFMCVWDIXPMOS-UHFFFAOYSA-N 1 2 347.484 3.530 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000918186082 1122773680 /nfs/dbraw/zinc/77/36/80/1122773680.db2.gz SERZOGZYOJHIIS-UHFFFAOYSA-N 1 2 338.329 3.869 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCCCC1 ZINC000154666480 1122774956 /nfs/dbraw/zinc/77/49/56/1122774956.db2.gz PCFGBKDVVITPOG-UHFFFAOYSA-N 1 2 344.503 3.936 20 0 EHADLO COc1ccc(C[C@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000129421393 1122778940 /nfs/dbraw/zinc/77/89/40/1122778940.db2.gz PDHKAPQOAXHBIA-HNNXBMFYSA-N 1 2 335.407 3.698 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000129539544 1122797716 /nfs/dbraw/zinc/79/77/16/1122797716.db2.gz VLHZTUQDFVPNJQ-UHFFFAOYSA-N 1 2 331.485 3.551 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1cn2ccccc2n1 ZINC000556244579 1122895585 /nfs/dbraw/zinc/89/55/85/1122895585.db2.gz DOJFEJFXXHDQCK-VXGBXAGGSA-N 1 2 345.244 3.904 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH+]1CCN(c2ncccn2)CC1 ZINC000130655172 1122981270 /nfs/dbraw/zinc/98/12/70/1122981270.db2.gz FBIRLHJNJOPTPL-INIZCTEOSA-N 1 2 349.265 3.593 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000130719808 1122989481 /nfs/dbraw/zinc/98/94/81/1122989481.db2.gz OUISMCVKFUOJKF-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000130719808 1122989486 /nfs/dbraw/zinc/98/94/86/1122989486.db2.gz OUISMCVKFUOJKF-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)o2)cc1 ZINC000130892550 1123019022 /nfs/dbraw/zinc/01/90/22/1123019022.db2.gz SBTQJMILGHSIKA-IBGZPJMESA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCc4ccccc4[C@@H]3CO)o2)cc1 ZINC000130892550 1123019026 /nfs/dbraw/zinc/01/90/26/1123019026.db2.gz SBTQJMILGHSIKA-IBGZPJMESA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC(F)F)cc1 ZINC000071887072 1123022368 /nfs/dbraw/zinc/02/23/68/1123022368.db2.gz BPNMCMFTQNJZKH-UHFFFAOYSA-N 1 2 334.366 3.667 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OC(F)F)cc1 ZINC000071887072 1123022375 /nfs/dbraw/zinc/02/23/75/1123022375.db2.gz BPNMCMFTQNJZKH-UHFFFAOYSA-N 1 2 334.366 3.667 20 0 EHADLO c1[nH+]c(SCCCOc2ccc3c(c2)OCO3)n2ccccc12 ZINC000072041414 1123036129 /nfs/dbraw/zinc/03/61/29/1123036129.db2.gz GEDPTDAGDQDTIM-UHFFFAOYSA-N 1 2 328.393 3.624 20 0 EHADLO Cc1cc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c(C)c[nH+]1 ZINC000556582860 1123047148 /nfs/dbraw/zinc/04/71/48/1123047148.db2.gz NBVYOMXOBOSVCP-SFHVURJKSA-N 1 2 349.438 3.756 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000131435406 1123106139 /nfs/dbraw/zinc/10/61/39/1123106139.db2.gz FNWAGFKGYBZTOZ-HNNXBMFYSA-N 1 2 345.874 3.922 20 0 EHADLO CC(=O)N1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)CC12CCCCC2 ZINC000498936223 1123120161 /nfs/dbraw/zinc/12/01/61/1123120161.db2.gz CHHWGOQRRALEMB-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO CC(=O)N1CC[N@H+]([C@H](C)c2ccc(F)cc2F)CC12CCCCC2 ZINC000498936223 1123120162 /nfs/dbraw/zinc/12/01/62/1123120162.db2.gz CHHWGOQRRALEMB-CQSZACIVSA-N 1 2 336.426 3.893 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000556824936 1123136694 /nfs/dbraw/zinc/13/66/94/1123136694.db2.gz CGKOZVWMEUPTBH-LJQANCHMSA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000556824936 1123136695 /nfs/dbraw/zinc/13/66/95/1123136695.db2.gz CGKOZVWMEUPTBH-LJQANCHMSA-N 1 2 345.450 3.948 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccn1 ZINC000073275979 1123194841 /nfs/dbraw/zinc/19/48/41/1123194841.db2.gz DESLOBBQWUDBHR-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccn1 ZINC000073275979 1123194844 /nfs/dbraw/zinc/19/48/44/1123194844.db2.gz DESLOBBQWUDBHR-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000132446063 1123229602 /nfs/dbraw/zinc/22/96/02/1123229602.db2.gz UORVZWPZCFMMNQ-OAQYLSRUSA-N 1 2 343.279 3.628 20 0 EHADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000132446063 1123229607 /nfs/dbraw/zinc/22/96/07/1123229607.db2.gz UORVZWPZCFMMNQ-OAQYLSRUSA-N 1 2 343.279 3.628 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc1OC(F)F ZINC000556967528 1123243241 /nfs/dbraw/zinc/24/32/41/1123243241.db2.gz NPDDNGHGKHRMFM-AWEZNQCLSA-N 1 2 329.362 3.818 20 0 EHADLO Fc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1OC(F)F ZINC000556967528 1123243242 /nfs/dbraw/zinc/24/32/42/1123243242.db2.gz NPDDNGHGKHRMFM-AWEZNQCLSA-N 1 2 329.362 3.818 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000195214873 1123259560 /nfs/dbraw/zinc/25/95/60/1123259560.db2.gz IWGUAGBDAOQFMK-MRXNPFEDSA-N 1 2 343.471 3.978 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1cc(F)ccc1F ZINC000557021134 1123268005 /nfs/dbraw/zinc/26/80/05/1123268005.db2.gz ABVJOOMMWMHKFM-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1cc(F)ccc1F ZINC000557021134 1123268008 /nfs/dbraw/zinc/26/80/08/1123268008.db2.gz ABVJOOMMWMHKFM-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO COc1cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)ccc1SC ZINC000499240397 1123291954 /nfs/dbraw/zinc/29/19/54/1123291954.db2.gz CJIQDAOOQRADFK-UHFFFAOYSA-N 1 2 339.501 3.969 20 0 EHADLO COc1cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)ccc1SC ZINC000499240397 1123291959 /nfs/dbraw/zinc/29/19/59/1123291959.db2.gz CJIQDAOOQRADFK-UHFFFAOYSA-N 1 2 339.501 3.969 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@H](C)C1CCCCC1 ZINC000428827923 1123308621 /nfs/dbraw/zinc/30/86/21/1123308621.db2.gz NLSAYTSCRNRUQR-JKSUJKDBSA-N 1 2 346.519 3.966 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000074691408 1123323751 /nfs/dbraw/zinc/32/37/51/1123323751.db2.gz WCWXEVPERLREHJ-KRWDZBQOSA-N 1 2 339.483 3.807 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000499321030 1123351423 /nfs/dbraw/zinc/35/14/23/1123351423.db2.gz WUWUACXCVTUJQX-OAHLLOKOSA-N 1 2 332.492 3.905 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920313298 1123356895 /nfs/dbraw/zinc/35/68/95/1123356895.db2.gz VAVPTHQTEZACRA-BBRMVZONSA-N 1 2 346.475 3.554 20 0 EHADLO Clc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000075711757 1123412514 /nfs/dbraw/zinc/41/25/14/1123412514.db2.gz XBSFDTGCWKMJSB-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cnccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000075711757 1123412516 /nfs/dbraw/zinc/41/25/16/1123412516.db2.gz XBSFDTGCWKMJSB-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO COCC[N@H+](C)Cn1ccn(-c2cccc(Cl)c2C)c1=S ZINC000921048906 1123458609 /nfs/dbraw/zinc/45/86/09/1123458609.db2.gz WQBLENGADGVKKN-UHFFFAOYSA-N 1 2 325.865 3.506 20 0 EHADLO COCC[N@@H+](C)Cn1ccn(-c2cccc(Cl)c2C)c1=S ZINC000921048906 1123458610 /nfs/dbraw/zinc/45/86/10/1123458610.db2.gz WQBLENGADGVKKN-UHFFFAOYSA-N 1 2 325.865 3.506 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921147790 1123477210 /nfs/dbraw/zinc/47/72/10/1123477210.db2.gz USUBAOVZXKPSEL-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]1c1ccccc1 ZINC000921201143 1123478548 /nfs/dbraw/zinc/47/85/48/1123478548.db2.gz MVAAOPQCEHDIHZ-IBGZPJMESA-N 1 2 332.407 3.529 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239709 1123507682 /nfs/dbraw/zinc/50/76/82/1123507682.db2.gz IHBVRKVPESDRMU-BLLLJJGKSA-N 1 2 341.436 3.622 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239709 1123507685 /nfs/dbraw/zinc/50/76/85/1123507685.db2.gz IHBVRKVPESDRMU-BLLLJJGKSA-N 1 2 341.436 3.622 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000921305317 1123515703 /nfs/dbraw/zinc/51/57/03/1123515703.db2.gz JYZKIEOARDVFPS-FYWRMAATSA-N 1 2 344.455 3.635 20 0 EHADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000929264720 1129131908 /nfs/dbraw/zinc/13/19/08/1129131908.db2.gz ZFXPWOOUQKNFFE-LBPRGKRZSA-N 1 2 338.274 3.825 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)oc1C ZINC000134495126 1123527567 /nfs/dbraw/zinc/52/75/67/1123527567.db2.gz HGCWXCXSSGFLNC-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)oc1C ZINC000134495126 1123527571 /nfs/dbraw/zinc/52/75/71/1123527571.db2.gz HGCWXCXSSGFLNC-LLVKDONJSA-N 1 2 333.457 3.837 20 0 EHADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000929264720 1129131909 /nfs/dbraw/zinc/13/19/09/1129131909.db2.gz ZFXPWOOUQKNFFE-LBPRGKRZSA-N 1 2 338.274 3.825 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000077233777 1123541081 /nfs/dbraw/zinc/54/10/81/1123541081.db2.gz WLXKPPLGSVBKAZ-MRXNPFEDSA-N 1 2 332.444 3.649 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000077233777 1123541084 /nfs/dbraw/zinc/54/10/84/1123541084.db2.gz WLXKPPLGSVBKAZ-MRXNPFEDSA-N 1 2 332.444 3.649 20 0 EHADLO O=C(c1ccoc1C1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000282329853 1129132442 /nfs/dbraw/zinc/13/24/42/1129132442.db2.gz UIBSRSXGSQWWGS-UHFFFAOYSA-N 1 2 339.439 3.710 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000136164033 1123673693 /nfs/dbraw/zinc/67/36/93/1123673693.db2.gz JFIWMZQOZNSCQB-WOJBJXKFSA-N 1 2 345.446 3.957 20 0 EHADLO CCCC[C@H](CC)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136196459 1123675614 /nfs/dbraw/zinc/67/56/14/1123675614.db2.gz LYBDUOWNGLSXAH-IRXDYDNUSA-N 1 2 334.508 3.601 20 0 EHADLO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nnsc1Cl ZINC000136232416 1123678666 /nfs/dbraw/zinc/67/86/66/1123678666.db2.gz IPNXXVZTRUWFOR-ZDUSSCGKSA-N 1 2 347.271 3.577 20 0 EHADLO COc1ccc(F)cc1CN1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000195660900 1123706880 /nfs/dbraw/zinc/70/68/80/1123706880.db2.gz QHPPUWUITCJAEY-HNNXBMFYSA-N 1 2 346.421 3.852 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000610000957 1123709699 /nfs/dbraw/zinc/70/96/99/1123709699.db2.gz GADCLXGWATZYDX-GFCCVEGCSA-N 1 2 341.398 3.538 20 0 EHADLO O=C(CCC(=O)c1cccs1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442009 1123753817 /nfs/dbraw/zinc/75/38/17/1123753817.db2.gz UWGOAXUJLRXHDK-UHFFFAOYSA-N 1 2 343.383 3.675 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000615328947 1123779534 /nfs/dbraw/zinc/77/95/34/1123779534.db2.gz HWUHHOPMWVTUMH-ZIAGYGMSSA-N 1 2 338.411 3.764 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000245384385 1123807611 /nfs/dbraw/zinc/80/76/11/1123807611.db2.gz VQJQSNADHWZYEU-HZPDHXFCSA-N 1 2 342.405 3.918 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000245384385 1123807616 /nfs/dbraw/zinc/80/76/16/1123807616.db2.gz VQJQSNADHWZYEU-HZPDHXFCSA-N 1 2 342.405 3.918 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000179903312 1123894679 /nfs/dbraw/zinc/89/46/79/1123894679.db2.gz FYUPUTPHECLUNP-ROUUACIJSA-N 1 2 332.513 3.999 20 0 EHADLO Cc1ccccc1NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC000615881354 1123897850 /nfs/dbraw/zinc/89/78/50/1123897850.db2.gz OCWLMMHSSCSPGT-QGZVFWFLSA-N 1 2 340.471 3.684 20 0 EHADLO Cc1ccccc1NC1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC000615877344 1123903560 /nfs/dbraw/zinc/90/35/60/1123903560.db2.gz VCQCHXHXRJSRTK-UHFFFAOYSA-N 1 2 340.471 3.513 20 0 EHADLO Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245744078 1123943194 /nfs/dbraw/zinc/94/31/94/1123943194.db2.gz FLXFQKDZWSVPSF-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245744078 1123943197 /nfs/dbraw/zinc/94/31/97/1123943197.db2.gz FLXFQKDZWSVPSF-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245868802 1123966318 /nfs/dbraw/zinc/96/63/18/1123966318.db2.gz MYZKLTZYYAKUEH-YESZJQIVSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1cc(CNC(=O)CCOc2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC000616363571 1123989267 /nfs/dbraw/zinc/98/92/67/1123989267.db2.gz YWYTTXXVVMIZMV-UHFFFAOYSA-N 1 2 336.794 3.576 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c(C)n1CC(F)(F)F ZINC000246144497 1124031623 /nfs/dbraw/zinc/03/16/23/1124031623.db2.gz CGUBVBLFQSVWJI-DGCLKSJQSA-N 1 2 348.434 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c(C)n1CC(F)(F)F ZINC000246144497 1124031628 /nfs/dbraw/zinc/03/16/28/1124031628.db2.gz CGUBVBLFQSVWJI-DGCLKSJQSA-N 1 2 348.434 3.676 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000353389206 1124057238 /nfs/dbraw/zinc/05/72/38/1124057238.db2.gz UKIASPGHDOQSJP-GUYCJALGSA-N 1 2 331.485 3.876 20 0 EHADLO CCCC[N@H+](CC(=O)NCc1ccccn1)Cc1ccccc1Cl ZINC000069016631 1124091134 /nfs/dbraw/zinc/09/11/34/1124091134.db2.gz VHERGNBYMQPENK-UHFFFAOYSA-N 1 2 345.874 3.654 20 0 EHADLO CCCC[N@@H+](CC(=O)NCc1ccccn1)Cc1ccccc1Cl ZINC000069016631 1124091139 /nfs/dbraw/zinc/09/11/39/1124091139.db2.gz VHERGNBYMQPENK-UHFFFAOYSA-N 1 2 345.874 3.654 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246763618 1124547587 /nfs/dbraw/zinc/54/75/87/1124547587.db2.gz OWVAWPORWTXDSX-OAUYIBNBSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246763618 1124547593 /nfs/dbraw/zinc/54/75/93/1124547593.db2.gz OWVAWPORWTXDSX-OAUYIBNBSA-N 1 2 336.838 3.697 20 0 EHADLO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000248770099 1124698752 /nfs/dbraw/zinc/69/87/52/1124698752.db2.gz SLHHKHINXZCXSM-JJRVBVJISA-N 1 2 327.428 3.766 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)[C@@H](C)CO1 ZINC000249384722 1124753115 /nfs/dbraw/zinc/75/31/15/1124753115.db2.gz QYTVXRWNYXOIQZ-DZGCQCFKSA-N 1 2 349.368 3.674 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)[C@@H](C)CO1 ZINC000249384722 1124753117 /nfs/dbraw/zinc/75/31/17/1124753117.db2.gz QYTVXRWNYXOIQZ-DZGCQCFKSA-N 1 2 349.368 3.674 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000735068958 1131305798 /nfs/dbraw/zinc/30/57/98/1131305798.db2.gz NNZYZUAXOLUOAD-NRFANRHFSA-N 1 2 338.451 3.650 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000735068958 1131305801 /nfs/dbraw/zinc/30/58/01/1131305801.db2.gz NNZYZUAXOLUOAD-NRFANRHFSA-N 1 2 338.451 3.650 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000448782601 1124908406 /nfs/dbraw/zinc/90/84/06/1124908406.db2.gz FGQYMWNZSXNOTJ-NUJGCVRESA-N 1 2 330.472 3.530 20 0 EHADLO CO[C@H]1C[N@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@H]1C ZINC000251785677 1124944257 /nfs/dbraw/zinc/94/42/57/1124944257.db2.gz LQJOXTCLBIGAQP-QAPCUYQASA-N 1 2 346.496 3.887 20 0 EHADLO CO[C@H]1C[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@H]1C ZINC000251785677 1124944263 /nfs/dbraw/zinc/94/42/63/1124944263.db2.gz LQJOXTCLBIGAQP-QAPCUYQASA-N 1 2 346.496 3.887 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000069797078 1125051663 /nfs/dbraw/zinc/05/16/63/1125051663.db2.gz HCHUNTIYYJAOGV-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000069797078 1125051669 /nfs/dbraw/zinc/05/16/69/1125051669.db2.gz HCHUNTIYYJAOGV-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000069797314 1125062815 /nfs/dbraw/zinc/06/28/15/1125062815.db2.gz JUNOMZQHKMEFKT-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000069797314 1125062822 /nfs/dbraw/zinc/06/28/22/1125062822.db2.gz JUNOMZQHKMEFKT-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO CCc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 ZINC000735305697 1131330009 /nfs/dbraw/zinc/33/00/09/1131330009.db2.gz CFDLXBIRKSAXSE-UHFFFAOYSA-N 1 2 340.442 3.913 20 0 EHADLO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000649574378 1125198056 /nfs/dbraw/zinc/19/80/56/1125198056.db2.gz IYPCCMIRTHXEQD-OAHLLOKOSA-N 1 2 327.325 3.752 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)s2)cc1 ZINC000093384912 1125238759 /nfs/dbraw/zinc/23/87/59/1125238759.db2.gz XIOULLSUNWNLGN-AWEZNQCLSA-N 1 2 337.510 3.588 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)s2)cc1 ZINC000093384912 1125238764 /nfs/dbraw/zinc/23/87/64/1125238764.db2.gz XIOULLSUNWNLGN-AWEZNQCLSA-N 1 2 337.510 3.588 20 0 EHADLO CC(C)CCn1cccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093458163 1125254210 /nfs/dbraw/zinc/25/42/10/1125254210.db2.gz HRFZIKYLBGXUNO-FQEVSTJZSA-N 1 2 328.456 3.813 20 0 EHADLO CC(C)CCn1cccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093458163 1125254216 /nfs/dbraw/zinc/25/42/16/1125254216.db2.gz HRFZIKYLBGXUNO-FQEVSTJZSA-N 1 2 328.456 3.813 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000152996983 1125414439 /nfs/dbraw/zinc/41/44/39/1125414439.db2.gz DKAFFTOCLJKVDP-HXUWFJFHSA-N 1 2 338.451 3.786 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000750865220 1125420070 /nfs/dbraw/zinc/42/00/70/1125420070.db2.gz QOYSMVOSOVXVID-ZDUSSCGKSA-N 1 2 338.542 3.953 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)ccn1 ZINC000347693690 1129257529 /nfs/dbraw/zinc/25/75/29/1129257529.db2.gz YTBWQJULGREOFS-QWRGUYRKSA-N 1 2 330.413 3.614 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CCCCCC1 ZINC000067645695 1129292677 /nfs/dbraw/zinc/29/26/77/1129292677.db2.gz OAHKYQFSMMPOHD-UHFFFAOYSA-N 1 2 330.407 3.533 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2cc(Cl)ccc2o1 ZINC000068255386 1129355864 /nfs/dbraw/zinc/35/58/64/1129355864.db2.gz LHKIXHBLQAXTGJ-UHFFFAOYSA-N 1 2 340.810 3.832 20 0 EHADLO C[C@H]1SCC[N@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@@H]1C ZINC000735666830 1131370984 /nfs/dbraw/zinc/37/09/84/1131370984.db2.gz GCBBIJOYIYTQNK-HUUCEWRRSA-N 1 2 333.526 3.851 20 0 EHADLO C[C@H]1SCC[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@@H]1C ZINC000735666830 1131370991 /nfs/dbraw/zinc/37/09/91/1131370991.db2.gz GCBBIJOYIYTQNK-HUUCEWRRSA-N 1 2 333.526 3.851 20 0 EHADLO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000117033694 1129411508 /nfs/dbraw/zinc/41/15/08/1129411508.db2.gz FAHCASOTEZCVLU-KRWDZBQOSA-N 1 2 340.471 3.894 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000673521659 1129479438 /nfs/dbraw/zinc/47/94/38/1129479438.db2.gz PPHXDNNSRPGXIV-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000673521659 1129479440 /nfs/dbraw/zinc/47/94/40/1129479440.db2.gz PPHXDNNSRPGXIV-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000118052124 1129485526 /nfs/dbraw/zinc/48/55/26/1129485526.db2.gz GGZZBVMHYMRYSY-HKUYNNGSSA-N 1 2 340.471 3.907 20 0 EHADLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000499830615 1129527476 /nfs/dbraw/zinc/52/74/76/1129527476.db2.gz XNCANSJQYSLKCV-NSHDSACASA-N 1 2 344.212 3.839 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000922489036 1129550601 /nfs/dbraw/zinc/55/06/01/1129550601.db2.gz YCSHXNZVACZECY-UHFFFAOYSA-N 1 2 347.381 3.652 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(Br)ccc2Cl)c(Cl)n1 ZINC000922482730 1129551113 /nfs/dbraw/zinc/55/11/13/1129551113.db2.gz OWQIRSNCXKIKDZ-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC000922515545 1129559858 /nfs/dbraw/zinc/55/98/58/1129559858.db2.gz CIKXMBWAJXUAMA-MRXNPFEDSA-N 1 2 346.862 3.551 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OCC ZINC000922581440 1129581496 /nfs/dbraw/zinc/58/14/96/1129581496.db2.gz VOQNEQWVHZYRDY-SFHVURJKSA-N 1 2 327.428 3.515 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000019541050 1129586955 /nfs/dbraw/zinc/58/69/55/1129586955.db2.gz CANNWSZQFVEZJY-UHFFFAOYSA-N 1 2 345.805 3.738 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000019541050 1129586957 /nfs/dbraw/zinc/58/69/57/1129586957.db2.gz CANNWSZQFVEZJY-UHFFFAOYSA-N 1 2 345.805 3.738 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)s1 ZINC000282364379 1129590020 /nfs/dbraw/zinc/59/00/20/1129590020.db2.gz BNWXPFGXEFPOLW-GFCCVEGCSA-N 1 2 346.475 3.574 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000922612493 1129598515 /nfs/dbraw/zinc/59/85/15/1129598515.db2.gz CAHOSTXAFJWHNA-QGZVFWFLSA-N 1 2 347.434 3.776 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(F)ccc1OC ZINC000922621103 1129599089 /nfs/dbraw/zinc/59/90/89/1129599089.db2.gz ILYFAIVEVZHWQR-CYBMUJFWSA-N 1 2 345.340 3.834 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccc(Oc2ccccc2)cc1 ZINC000624950707 1129625134 /nfs/dbraw/zinc/62/51/34/1129625134.db2.gz ZEOMHGCCOLULSF-UHFFFAOYSA-N 1 2 335.407 3.772 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000428958321 1129637945 /nfs/dbraw/zinc/63/79/45/1129637945.db2.gz CHQUQPSBZSXCGO-IXDOHACOSA-N 1 2 334.508 3.692 20 0 EHADLO CCNc1nc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cs1 ZINC001168734613 1129660147 /nfs/dbraw/zinc/66/01/47/1129660147.db2.gz ZDFNVEMIUPDDOE-JTQLQIEISA-N 1 2 339.436 3.582 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000922803505 1129674055 /nfs/dbraw/zinc/67/40/55/1129674055.db2.gz YCBGPBQJPZDHEC-INIZCTEOSA-N 1 2 338.455 3.737 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000347751832 1129688330 /nfs/dbraw/zinc/68/83/30/1129688330.db2.gz JSJSZCLKNUDVIS-HXUWFJFHSA-N 1 2 325.408 3.507 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000347751832 1129688333 /nfs/dbraw/zinc/68/83/33/1129688333.db2.gz JSJSZCLKNUDVIS-HXUWFJFHSA-N 1 2 325.408 3.507 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc12 ZINC001128518996 1129756841 /nfs/dbraw/zinc/75/68/41/1129756841.db2.gz HMNWLCMYASXWMR-QGZVFWFLSA-N 1 2 332.403 3.837 20 0 EHADLO Cc1scc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282427827 1129786195 /nfs/dbraw/zinc/78/61/95/1129786195.db2.gz UIUHZLYARUULPQ-OAHLLOKOSA-N 1 2 343.496 3.918 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(F)c(F)c1 ZINC000625297222 1129810058 /nfs/dbraw/zinc/81/00/58/1129810058.db2.gz NKCAIBQRGFWSHD-INIZCTEOSA-N 1 2 327.758 3.801 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)on1 ZINC000131571731 1129810921 /nfs/dbraw/zinc/81/09/21/1129810921.db2.gz WUYWUCXZXWHBGD-SFHVURJKSA-N 1 2 341.455 3.707 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)on1 ZINC000131571731 1129810924 /nfs/dbraw/zinc/81/09/24/1129810924.db2.gz WUYWUCXZXWHBGD-SFHVURJKSA-N 1 2 341.455 3.707 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccco1 ZINC000625319897 1129825275 /nfs/dbraw/zinc/82/52/75/1129825275.db2.gz RINQDGXHHYHJCB-MSOLQXFVSA-N 1 2 348.487 3.517 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673762249 1129835886 /nfs/dbraw/zinc/83/58/86/1129835886.db2.gz MWYHKOZEUMVQAW-RDJZCZTQSA-N 1 2 334.423 3.819 20 0 EHADLO COc1cncc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000625375225 1129849655 /nfs/dbraw/zinc/84/96/55/1129849655.db2.gz JVGGVSMBGTWVRP-CQSZACIVSA-N 1 2 325.334 3.577 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4[nH]ccc43)c[nH+]2)C[C@H](C)O1 ZINC000347821152 1129880869 /nfs/dbraw/zinc/88/08/69/1129880869.db2.gz UJWWDUKAUINXBS-GASCZTMLSA-N 1 2 336.439 3.789 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000132289569 1129890553 /nfs/dbraw/zinc/89/05/53/1129890553.db2.gz MHQOQHOAGPGMGD-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000543505911 1129908227 /nfs/dbraw/zinc/90/82/27/1129908227.db2.gz UOGWYGDISTYBOY-KBPBESRZSA-N 1 2 325.416 3.926 20 0 EHADLO COc1cncc(C[N@H+](C)[C@H]2CCCc3c(OC)ccc(Cl)c32)n1 ZINC000625514985 1129912328 /nfs/dbraw/zinc/91/23/28/1129912328.db2.gz WAVPVMLKVONLOS-HNNXBMFYSA-N 1 2 347.846 3.657 20 0 EHADLO COc1cncc(C[N@@H+](C)[C@H]2CCCc3c(OC)ccc(Cl)c32)n1 ZINC000625514985 1129912331 /nfs/dbraw/zinc/91/23/31/1129912331.db2.gz WAVPVMLKVONLOS-HNNXBMFYSA-N 1 2 347.846 3.657 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000347848264 1129921831 /nfs/dbraw/zinc/92/18/31/1129921831.db2.gz HCFKYPCPAZCANE-UHFFFAOYSA-N 1 2 338.363 3.543 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000282482206 1129930622 /nfs/dbraw/zinc/93/06/22/1129930622.db2.gz LRGPLPPYLRSGHB-LLVKDONJSA-N 1 2 336.892 3.769 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000347861769 1129939138 /nfs/dbraw/zinc/93/91/38/1129939138.db2.gz UXAIPWJTPDAKHF-OAHLLOKOSA-N 1 2 347.553 3.819 20 0 EHADLO CN(C)Cc1cnc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000347861769 1129939140 /nfs/dbraw/zinc/93/91/40/1129939140.db2.gz UXAIPWJTPDAKHF-OAHLLOKOSA-N 1 2 347.553 3.819 20 0 EHADLO CN(C)Cc1cnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000347861769 1129939145 /nfs/dbraw/zinc/93/91/45/1129939145.db2.gz UXAIPWJTPDAKHF-OAHLLOKOSA-N 1 2 347.553 3.819 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644230 1129966269 /nfs/dbraw/zinc/96/62/69/1129966269.db2.gz BMKNPFIKJXAESA-AXFHLTTASA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644230 1129966272 /nfs/dbraw/zinc/96/62/72/1129966272.db2.gz BMKNPFIKJXAESA-AXFHLTTASA-N 1 2 332.341 3.515 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1F ZINC000543559075 1129973446 /nfs/dbraw/zinc/97/34/46/1129973446.db2.gz PGSZCLYALLLUGC-SFHVURJKSA-N 1 2 329.415 3.668 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1F ZINC000543559075 1129973449 /nfs/dbraw/zinc/97/34/49/1129973449.db2.gz PGSZCLYALLLUGC-SFHVURJKSA-N 1 2 329.415 3.668 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674048009 1129983294 /nfs/dbraw/zinc/98/32/94/1129983294.db2.gz WEWVKPZWCQPTGG-YWZLYKJASA-N 1 2 338.426 3.546 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674048009 1129983297 /nfs/dbraw/zinc/98/32/97/1129983297.db2.gz WEWVKPZWCQPTGG-YWZLYKJASA-N 1 2 338.426 3.546 20 0 EHADLO COC(=O)c1coc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000171029450 1130001826 /nfs/dbraw/zinc/00/18/26/1130001826.db2.gz NBTRQALJLCGWKE-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO COC(=O)c1coc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000171029450 1130001831 /nfs/dbraw/zinc/00/18/31/1130001831.db2.gz NBTRQALJLCGWKE-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000674689839 1130177116 /nfs/dbraw/zinc/17/71/16/1130177116.db2.gz QNVUGMFNLAXNNU-UHFFFAOYSA-N 1 2 325.334 3.797 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H](c2ccc(F)cc2)O1 ZINC000766073610 1130199070 /nfs/dbraw/zinc/19/90/70/1130199070.db2.gz CBJPKGVFFYLLSP-SJKOYZFVSA-N 1 2 343.427 3.792 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H](c2ccc(F)cc2)O1 ZINC000766073610 1130199073 /nfs/dbraw/zinc/19/90/73/1130199073.db2.gz CBJPKGVFFYLLSP-SJKOYZFVSA-N 1 2 343.427 3.792 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(N2CCCC2)c1 ZINC000674852158 1130207776 /nfs/dbraw/zinc/20/77/76/1130207776.db2.gz AQRDKYNRCWODNT-OAHLLOKOSA-N 1 2 349.438 3.817 20 0 EHADLO CCn1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)nc2cc(F)ccc21 ZINC000675026993 1130243105 /nfs/dbraw/zinc/24/31/05/1130243105.db2.gz WRGAFGHZKFWTPT-UHFFFAOYSA-N 1 2 349.413 3.671 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@H+](Cn2c(=S)ncn2-c2ccccc2)C1 ZINC000766089959 1130258595 /nfs/dbraw/zinc/25/85/95/1130258595.db2.gz DZRNTJHYRSXXLI-LBPRGKRZSA-N 1 2 342.390 3.635 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cn2c(=S)ncn2-c2ccccc2)C1 ZINC000766089959 1130258600 /nfs/dbraw/zinc/25/86/00/1130258600.db2.gz DZRNTJHYRSXXLI-LBPRGKRZSA-N 1 2 342.390 3.635 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)CCCn3cc[nH+]c3)c2)cc1 ZINC000675178207 1130274066 /nfs/dbraw/zinc/27/40/66/1130274066.db2.gz UQAXYOQFUMAYHR-UHFFFAOYSA-N 1 2 333.435 3.955 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675225480 1130289007 /nfs/dbraw/zinc/28/90/07/1130289007.db2.gz XMOJLAWWZYCBCM-SOLBZPMBSA-N 1 2 325.456 3.646 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249492 1130296201 /nfs/dbraw/zinc/29/62/01/1130296201.db2.gz FNOYBSVIJOZEQC-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249492 1130296204 /nfs/dbraw/zinc/29/62/04/1130296204.db2.gz FNOYBSVIJOZEQC-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000675902421 1130505929 /nfs/dbraw/zinc/50/59/29/1130505929.db2.gz DWTNANLQRBONFD-HXUWFJFHSA-N 1 2 346.434 3.612 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C3CC3)C3CCCCC3)[nH+]c12 ZINC000675998757 1130515484 /nfs/dbraw/zinc/51/54/84/1130515484.db2.gz JBBHQRAQVAPPEP-UHFFFAOYSA-N 1 2 340.471 3.692 20 0 EHADLO C[C@@H]1CCc2c(sc3ncnc(N(C)CCCn4cc[nH+]c4)c32)C1 ZINC000676030736 1130519025 /nfs/dbraw/zinc/51/90/25/1130519025.db2.gz PAMNVWMJJDJGHS-CYBMUJFWSA-N 1 2 341.484 3.539 20 0 EHADLO C/C(=C/C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccco1 ZINC001129201711 1130556863 /nfs/dbraw/zinc/55/68/63/1130556863.db2.gz HFAXAPBKMUDRBY-RAXLEYEMSA-N 1 2 341.798 3.838 20 0 EHADLO C/C(=C\C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccco1 ZINC001129201709 1130556964 /nfs/dbraw/zinc/55/69/64/1130556964.db2.gz HFAXAPBKMUDRBY-JLHYYAGUSA-N 1 2 341.798 3.838 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@H]2CCCS2)no1 ZINC000288967295 1130633224 /nfs/dbraw/zinc/63/32/24/1130633224.db2.gz HNDBJKYKJYEMIV-CYBMUJFWSA-N 1 2 336.367 3.622 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000291491694 1130639511 /nfs/dbraw/zinc/63/95/11/1130639511.db2.gz RFKAKFXZCAALGJ-UHFFFAOYSA-N 1 2 340.254 3.756 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731399105 1130796332 /nfs/dbraw/zinc/79/63/32/1130796332.db2.gz BBGHYVMBKBVOPN-NEWSRXKRSA-N 1 2 347.503 3.524 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732062106 1130882849 /nfs/dbraw/zinc/88/28/49/1130882849.db2.gz RNOMDDTWXWUYCK-RDJZCZTQSA-N 1 2 345.512 3.842 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cn21 ZINC000732210472 1130896711 /nfs/dbraw/zinc/89/67/11/1130896711.db2.gz SQOBWEZCWLKIGV-CBGDNZLLSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccc2nc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cn21 ZINC000732210472 1130896717 /nfs/dbraw/zinc/89/67/17/1130896717.db2.gz SQOBWEZCWLKIGV-CBGDNZLLSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cn21 ZINC000732210477 1130898196 /nfs/dbraw/zinc/89/81/96/1130898196.db2.gz SQOBWEZCWLKIGV-WWMYMODYSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccc2nc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cn21 ZINC000732210477 1130898202 /nfs/dbraw/zinc/89/82/02/1130898202.db2.gz SQOBWEZCWLKIGV-WWMYMODYSA-N 1 2 335.451 3.993 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000733305133 1131019822 /nfs/dbraw/zinc/01/98/22/1131019822.db2.gz ZZXLHPPRFDTYEE-CQSZACIVSA-N 1 2 325.416 3.572 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000733305133 1131019830 /nfs/dbraw/zinc/01/98/30/1131019830.db2.gz ZZXLHPPRFDTYEE-CQSZACIVSA-N 1 2 325.416 3.572 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)o1 ZINC000733310469 1131020695 /nfs/dbraw/zinc/02/06/95/1131020695.db2.gz RUUMDLUJPSEOJA-IBGZPJMESA-N 1 2 332.419 3.883 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1OC ZINC000733331549 1131028249 /nfs/dbraw/zinc/02/82/49/1131028249.db2.gz PKUGISXWQGLVLE-UHFFFAOYSA-N 1 2 341.436 3.512 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc4c(C)cc(=O)[nH]c4c3)cc2[nH+]1 ZINC000347932465 1131091670 /nfs/dbraw/zinc/09/16/70/1131091670.db2.gz MOVYKUYJDLWEMI-UHFFFAOYSA-N 1 2 332.363 3.686 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1c(C)nn(C)c1C ZINC000348049897 1131129134 /nfs/dbraw/zinc/12/91/34/1131129134.db2.gz QPVAKRMBWJPPHX-WCQYABFASA-N 1 2 345.472 3.950 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734009834 1131182432 /nfs/dbraw/zinc/18/24/32/1131182432.db2.gz XNHJEXLONKQMTQ-SJLPKXTDSA-N 1 2 340.471 3.888 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c1C ZINC000734009266 1131183203 /nfs/dbraw/zinc/18/32/03/1131183203.db2.gz NGBHYTRKLSLWCH-CJNGLKHVSA-N 1 2 333.476 3.723 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177913472 1131228367 /nfs/dbraw/zinc/22/83/67/1131228367.db2.gz ANPINOVSVMXQNQ-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177913472 1131228373 /nfs/dbraw/zinc/22/83/73/1131228373.db2.gz ANPINOVSVMXQNQ-NSHDSACASA-N 1 2 325.334 3.702 20 0 EHADLO C[N@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)CC(C)(C)C ZINC000738090361 1131461110 /nfs/dbraw/zinc/46/11/10/1131461110.db2.gz QLYDXIHXXVDXRU-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO C[N@@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)CC(C)(C)C ZINC000738090361 1131461116 /nfs/dbraw/zinc/46/11/16/1131461116.db2.gz QLYDXIHXXVDXRU-UHFFFAOYSA-N 1 2 334.489 3.868 20 0 EHADLO Cc1ncsc1CC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000738309267 1131467515 /nfs/dbraw/zinc/46/75/15/1131467515.db2.gz LFUZCIXNRQTYOH-UHFFFAOYSA-N 1 2 345.512 3.746 20 0 EHADLO Cc1ncsc1CC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000738309267 1131467517 /nfs/dbraw/zinc/46/75/17/1131467517.db2.gz LFUZCIXNRQTYOH-UHFFFAOYSA-N 1 2 345.512 3.746 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000738391699 1131469358 /nfs/dbraw/zinc/46/93/58/1131469358.db2.gz PIUUPNVWQILJJK-UHFFFAOYSA-N 1 2 342.420 3.565 20 0 EHADLO Cc1cn2cc(NC(=O)N(CCc3ccccc3)C3CC3)ccc2[nH+]1 ZINC000738919873 1131491499 /nfs/dbraw/zinc/49/14/99/1131491499.db2.gz LUCNQMYMHVXYSZ-UHFFFAOYSA-N 1 2 334.423 3.882 20 0 EHADLO C[N@H+](CCOC1CCCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740874005 1131551388 /nfs/dbraw/zinc/55/13/88/1131551388.db2.gz SWVDDNPSMNNWGD-UHFFFAOYSA-N 1 2 329.444 3.507 20 0 EHADLO C[N@@H+](CCOC1CCCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740874005 1131551393 /nfs/dbraw/zinc/55/13/93/1131551393.db2.gz SWVDDNPSMNNWGD-UHFFFAOYSA-N 1 2 329.444 3.507 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000065304447 1131600861 /nfs/dbraw/zinc/60/08/61/1131600861.db2.gz HJZAMPIVEROOQQ-ZDUSSCGKSA-N 1 2 347.846 3.921 20 0 EHADLO CCCCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000742063520 1131685436 /nfs/dbraw/zinc/68/54/36/1131685436.db2.gz FOXJDTZGVQNZTC-SFHVURJKSA-N 1 2 346.515 3.946 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)nc1C(F)(F)F ZINC000742156092 1131694836 /nfs/dbraw/zinc/69/48/36/1131694836.db2.gz WBXQPYIKJYYUEU-VXGBXAGGSA-N 1 2 347.381 3.547 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2C[C@H](C)CCC[C@H]2C)nc1C(F)(F)F ZINC000742156092 1131694838 /nfs/dbraw/zinc/69/48/38/1131694838.db2.gz WBXQPYIKJYYUEU-VXGBXAGGSA-N 1 2 347.381 3.547 20 0 EHADLO C/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000742283079 1131704804 /nfs/dbraw/zinc/70/48/04/1131704804.db2.gz PEINTJKQYIJSEC-LFIBNONCSA-N 1 2 349.409 3.790 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCOC(C)C ZINC001172442838 1131743190 /nfs/dbraw/zinc/74/31/90/1131743190.db2.gz VKSLBNFKNXROSC-WMLDXEAASA-N 1 2 341.879 3.607 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4ccccc4)nc3)cc2)C1 ZINC001212664637 1131755608 /nfs/dbraw/zinc/75/56/08/1131755608.db2.gz XDDNWYHWKTZEBB-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO Cc1ccc(-c2cc(Nc3ccc(C[NH+]4CC(O)C4)cc3)on2)cc1 ZINC001212665575 1131758966 /nfs/dbraw/zinc/75/89/66/1131758966.db2.gz VTTSOBGFXZHGMT-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO CCCCCC[C@@H](CCCC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172517137 1131765641 /nfs/dbraw/zinc/76/56/41/1131765641.db2.gz OJUBGHPBJQPMJJ-AEFFLSMTSA-N 1 2 337.508 3.623 20 0 EHADLO CCCCCC[C@@H](CCCC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172517137 1131765647 /nfs/dbraw/zinc/76/56/47/1131765647.db2.gz OJUBGHPBJQPMJJ-AEFFLSMTSA-N 1 2 337.508 3.623 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000742665592 1131767587 /nfs/dbraw/zinc/76/75/87/1131767587.db2.gz FDOMIOJWZONDDT-FNORWQNLSA-N 1 2 326.425 3.740 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(=O)OC(C)(C)C ZINC001172576498 1131780326 /nfs/dbraw/zinc/78/03/26/1131780326.db2.gz NVCMRGOKKORTPL-SNVBAGLBSA-N 1 2 333.806 3.871 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc4ncc(Cl)cc43)cc2)C1 ZINC001212671787 1131784839 /nfs/dbraw/zinc/78/48/39/1131784839.db2.gz WRBBYNQFSFHGLN-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CC(=O)N1CCN(c2ccc(Nc3cccc(C(C)C)[nH+]3)cc2)CC1 ZINC001212679038 1131828043 /nfs/dbraw/zinc/82/80/43/1131828043.db2.gz FVCAOBPJJGAITQ-UHFFFAOYSA-N 1 2 338.455 3.617 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000743365159 1131902418 /nfs/dbraw/zinc/90/24/18/1131902418.db2.gz DBTVDYSCLHPEQM-AEFFLSMTSA-N 1 2 332.513 3.691 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000743365159 1131902423 /nfs/dbraw/zinc/90/24/23/1131902423.db2.gz DBTVDYSCLHPEQM-AEFFLSMTSA-N 1 2 332.513 3.691 20 0 EHADLO Cc1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)cnc1Br ZINC001212692467 1131902424 /nfs/dbraw/zinc/90/24/24/1131902424.db2.gz VAWMMYPLSSYITE-UHFFFAOYSA-N 1 2 344.216 3.536 20 0 EHADLO S=c1[nH]ccn1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000743347927 1131905943 /nfs/dbraw/zinc/90/59/43/1131905943.db2.gz GTLNOKILWFVRJS-CQSZACIVSA-N 1 2 333.507 3.900 20 0 EHADLO S=c1[nH]ccn1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000743347927 1131905950 /nfs/dbraw/zinc/90/59/50/1131905950.db2.gz GTLNOKILWFVRJS-CQSZACIVSA-N 1 2 333.507 3.900 20 0 EHADLO CCC[C@@]1(C)CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000743404879 1131917476 /nfs/dbraw/zinc/91/74/76/1131917476.db2.gz YDGPNDYMOISLBJ-SFHVURJKSA-N 1 2 333.501 3.935 20 0 EHADLO CCC[C@@]1(C)CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000743404879 1131917478 /nfs/dbraw/zinc/91/74/78/1131917478.db2.gz YDGPNDYMOISLBJ-SFHVURJKSA-N 1 2 333.501 3.935 20 0 EHADLO OC1CCN(c2ccccc2Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001212696780 1131919372 /nfs/dbraw/zinc/91/93/72/1131919372.db2.gz LLMCNGXJASPXAC-UHFFFAOYSA-N 1 2 348.450 3.636 20 0 EHADLO Fc1cnc(Br)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694852 1131924329 /nfs/dbraw/zinc/92/43/29/1131924329.db2.gz AMFCRAKYOUZQIL-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO CC(C)c1nnc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn21 ZINC001212695260 1131925941 /nfs/dbraw/zinc/92/59/41/1131925941.db2.gz WBJJAIZAASAUBO-UHFFFAOYSA-N 1 2 332.411 3.841 20 0 EHADLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001173084500 1131962442 /nfs/dbraw/zinc/96/24/42/1131962442.db2.gz ZHRYZAQPZYHSHJ-NEPJUHHUSA-N 1 2 347.377 3.836 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000743851035 1131986466 /nfs/dbraw/zinc/98/64/66/1131986466.db2.gz ZNWZVLWKCYXFKS-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000743851035 1131986470 /nfs/dbraw/zinc/98/64/70/1131986470.db2.gz ZNWZVLWKCYXFKS-RTBURBONSA-N 1 2 331.843 3.755 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H](c2ccccc2)O1 ZINC000744146612 1132032080 /nfs/dbraw/zinc/03/20/80/1132032080.db2.gz HIVPPYWDOPKJEL-UWJYYQICSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H](c2ccccc2)O1 ZINC000744146612 1132032086 /nfs/dbraw/zinc/03/20/86/1132032086.db2.gz HIVPPYWDOPKJEL-UWJYYQICSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@@H](O)[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)OC(C)(C)C ZINC001173338515 1132054419 /nfs/dbraw/zinc/05/44/19/1132054419.db2.gz ASOSVOLJHGELNC-OAGGEKHMSA-N 1 2 325.493 3.560 20 0 EHADLO NC(=O)c1csc(CNc2[nH+]c3ccccc3n2C2CCCC2)c1 ZINC000181524281 1132095721 /nfs/dbraw/zinc/09/57/21/1132095721.db2.gz ZJWYQRZHGAFZGV-UHFFFAOYSA-N 1 2 340.452 3.924 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444490 1132100912 /nfs/dbraw/zinc/10/09/12/1132100912.db2.gz XMFNWJBHXNBNAL-CRAIPNDOSA-N 1 2 348.446 3.961 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000744444490 1132100917 /nfs/dbraw/zinc/10/09/17/1132100917.db2.gz XMFNWJBHXNBNAL-CRAIPNDOSA-N 1 2 348.446 3.961 20 0 EHADLO CC(=O)c1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC001173896075 1132166134 /nfs/dbraw/zinc/16/61/34/1132166134.db2.gz OPZAWQGTQAUGQH-OKILXGFUSA-N 1 2 325.412 3.641 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000745098461 1132193750 /nfs/dbraw/zinc/19/37/50/1132193750.db2.gz CXQLQEYBGUULAY-FQEVSTJZSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000745098461 1132193753 /nfs/dbraw/zinc/19/37/53/1132193753.db2.gz CXQLQEYBGUULAY-FQEVSTJZSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCO[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000745098202 1132193850 /nfs/dbraw/zinc/19/38/50/1132193850.db2.gz BDONOOLUSXPBGS-WDSOQIARSA-N 1 2 333.472 3.818 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCO[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000745098202 1132193854 /nfs/dbraw/zinc/19/38/54/1132193854.db2.gz BDONOOLUSXPBGS-WDSOQIARSA-N 1 2 333.472 3.818 20 0 EHADLO Cc1ccccc1Nc1nc(COC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC000745080707 1132195387 /nfs/dbraw/zinc/19/53/87/1132195387.db2.gz CEMKPGOECUZOOA-MRXNPFEDSA-N 1 2 345.468 3.723 20 0 EHADLO Cc1ccccc1Nc1nc(COC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC000745080707 1132195389 /nfs/dbraw/zinc/19/53/89/1132195389.db2.gz CEMKPGOECUZOOA-MRXNPFEDSA-N 1 2 345.468 3.723 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084440 1132195517 /nfs/dbraw/zinc/19/55/17/1132195517.db2.gz TYPGXRVATKBXPY-YJBOKZPZSA-N 1 2 346.471 3.555 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084440 1132195519 /nfs/dbraw/zinc/19/55/19/1132195519.db2.gz TYPGXRVATKBXPY-YJBOKZPZSA-N 1 2 346.471 3.555 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](c3ncncc3N=C3CCCC3)C2)cc1 ZINC001173997311 1132198678 /nfs/dbraw/zinc/19/86/78/1132198678.db2.gz WNXXJYXVVUMDLT-LJQANCHMSA-N 1 2 336.439 3.530 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](c3ncncc3N=C3CCCC3)C2)cc1 ZINC001173997311 1132198682 /nfs/dbraw/zinc/19/86/82/1132198682.db2.gz WNXXJYXVVUMDLT-LJQANCHMSA-N 1 2 336.439 3.530 20 0 EHADLO COc1ccc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2c1 ZINC001174030533 1132219742 /nfs/dbraw/zinc/21/97/42/1132219742.db2.gz QLOJWPRXHBPJMV-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO COCc1ccccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001174102130 1132228804 /nfs/dbraw/zinc/22/88/04/1132228804.db2.gz KJQRMYMXFUOXCA-GASCZTMLSA-N 1 2 327.428 3.585 20 0 EHADLO Cc1cn2cccc(Nc3cccc(C(=O)NCc4ccco4)c3)c2[nH+]1 ZINC001174199240 1132281057 /nfs/dbraw/zinc/28/10/57/1132281057.db2.gz SBPZPNCJUQIIMP-UHFFFAOYSA-N 1 2 346.390 3.909 20 0 EHADLO CCCc1cc[nH+]c(Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC001174316476 1132315545 /nfs/dbraw/zinc/31/55/45/1132315545.db2.gz QLLFQDMQQPTXBJ-UHFFFAOYSA-N 1 2 345.468 3.562 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc4c(cnn4CCO)c3)ccc21 ZINC001174381812 1132343711 /nfs/dbraw/zinc/34/37/11/1132343711.db2.gz UOTLKJBSIJHQOT-UHFFFAOYSA-N 1 2 335.411 3.703 20 0 EHADLO COc1ccc(NCCO)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174383631 1132345126 /nfs/dbraw/zinc/34/51/26/1132345126.db2.gz PZRIEFNKWMRGQG-UHFFFAOYSA-N 1 2 340.427 3.774 20 0 EHADLO c1cnc2cccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)c2c1 ZINC001174432716 1132353504 /nfs/dbraw/zinc/35/35/04/1132353504.db2.gz XIWNGGNFXUOULR-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)c1 ZINC000183381591 1132361963 /nfs/dbraw/zinc/36/19/63/1132361963.db2.gz BYJFUHIHHJYYTQ-INIZCTEOSA-N 1 2 331.391 3.520 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)c1 ZINC000183381591 1132361971 /nfs/dbraw/zinc/36/19/71/1132361971.db2.gz BYJFUHIHHJYYTQ-INIZCTEOSA-N 1 2 331.391 3.520 20 0 EHADLO NC(=O)c1cc(Oc2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2)ccn1 ZINC001174415967 1132367888 /nfs/dbraw/zinc/36/78/88/1132367888.db2.gz YLAQMZOFRVFOAE-UHFFFAOYSA-N 1 2 345.362 3.544 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000746221276 1132394358 /nfs/dbraw/zinc/39/43/58/1132394358.db2.gz BUEPAMXBAMBZDY-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO c1cc(N2CCOCC2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522482 1132398996 /nfs/dbraw/zinc/39/89/96/1132398996.db2.gz NUIRQNQLMVIUOL-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(Cc2ccccn2)n1 ZINC001174522878 1132400537 /nfs/dbraw/zinc/40/05/37/1132400537.db2.gz YMNLUINZVXESIE-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO CCOC(=O)c1ccc(N)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524106 1132400906 /nfs/dbraw/zinc/40/09/06/1132400906.db2.gz DPGOKALSQSXAPW-UHFFFAOYSA-N 1 2 340.427 3.574 20 0 EHADLO COc1ccc(Cn2cc(Nc3cc(C)[nH+]c(OC)c3)c(C)n2)cc1 ZINC001174577150 1132404610 /nfs/dbraw/zinc/40/46/10/1132404610.db2.gz FSVONKUHSOGCBJ-UHFFFAOYSA-N 1 2 338.411 3.704 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000189013456 1132441968 /nfs/dbraw/zinc/44/19/68/1132441968.db2.gz SWSXNTXXYIDKSH-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000189013456 1132441971 /nfs/dbraw/zinc/44/19/71/1132441971.db2.gz SWSXNTXXYIDKSH-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1OC ZINC000190303810 1132452633 /nfs/dbraw/zinc/45/26/33/1132452633.db2.gz MSDLNEPVQHNFRF-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1OC ZINC000190303810 1132452640 /nfs/dbraw/zinc/45/26/40/1132452640.db2.gz MSDLNEPVQHNFRF-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO CC(C)COc1cccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174727054 1132452877 /nfs/dbraw/zinc/45/28/77/1132452877.db2.gz ZOUVKCFFWFTEKU-KBXCAEBGSA-N 1 2 327.415 3.966 20 0 EHADLO CC(C)COc1cccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174727054 1132452882 /nfs/dbraw/zinc/45/28/82/1132452882.db2.gz ZOUVKCFFWFTEKU-KBXCAEBGSA-N 1 2 327.415 3.966 20 0 EHADLO CC(C)COc1cccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174727055 1132453274 /nfs/dbraw/zinc/45/32/74/1132453274.db2.gz ZOUVKCFFWFTEKU-KDOFPFPSSA-N 1 2 327.415 3.966 20 0 EHADLO CC(C)COc1cccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001174727055 1132453278 /nfs/dbraw/zinc/45/32/78/1132453278.db2.gz ZOUVKCFFWFTEKU-KDOFPFPSSA-N 1 2 327.415 3.966 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(O[C@H](C)CC(C)C)c1 ZINC000193518172 1132481210 /nfs/dbraw/zinc/48/12/10/1132481210.db2.gz HGEDGWSMJRWMPD-MRXNPFEDSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(O[C@H](C)CC(C)C)c1 ZINC000193518172 1132481213 /nfs/dbraw/zinc/48/12/13/1132481213.db2.gz HGEDGWSMJRWMPD-MRXNPFEDSA-N 1 2 343.471 3.781 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC001174890552 1132482576 /nfs/dbraw/zinc/48/25/76/1132482576.db2.gz IYOZASVYXFELEU-UHFFFAOYSA-N 1 2 349.858 3.518 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC001174890552 1132482581 /nfs/dbraw/zinc/48/25/81/1132482581.db2.gz IYOZASVYXFELEU-UHFFFAOYSA-N 1 2 349.858 3.518 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccn1C ZINC000195113783 1132493952 /nfs/dbraw/zinc/49/39/52/1132493952.db2.gz UWDACGAWKIXKJA-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO CC(C)OC(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001174915067 1132503627 /nfs/dbraw/zinc/50/36/27/1132503627.db2.gz GVDZPZCZTIBHNS-UHFFFAOYSA-N 1 2 325.412 3.991 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(COC)cc3)c2c1 ZINC001174918630 1132505940 /nfs/dbraw/zinc/50/59/40/1132505940.db2.gz NNESTJQCYDVRRL-UHFFFAOYSA-N 1 2 336.391 3.723 20 0 EHADLO Clc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c2ccccc2n1 ZINC001174973404 1132510285 /nfs/dbraw/zinc/51/02/85/1132510285.db2.gz LCIHIRNGBKQZMY-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1ccc2c(Nc3ccc(N4CCOCC4)nc3)cc[nH+]c2c1 ZINC001174973985 1132510544 /nfs/dbraw/zinc/51/05/44/1132510544.db2.gz BVVHKQGTFKYDRX-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1cnc2c(cccc2Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174977722 1132510938 /nfs/dbraw/zinc/51/09/38/1132510938.db2.gz OBJVUECVMZJXPJ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO c1ccc(OC2CCCC2)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174977908 1132511166 /nfs/dbraw/zinc/51/11/66/1132511166.db2.gz ZEMCIUUVIVCMMJ-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376287 1132527435 /nfs/dbraw/zinc/52/74/35/1132527435.db2.gz YIMNIWJMVDRQEO-HIFRSBDPSA-N 1 2 330.501 3.956 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376287 1132527445 /nfs/dbraw/zinc/52/74/45/1132527445.db2.gz YIMNIWJMVDRQEO-HIFRSBDPSA-N 1 2 330.501 3.956 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCCc2sccc2C1 ZINC000766407471 1132531210 /nfs/dbraw/zinc/53/12/10/1132531210.db2.gz NOMOKASFMJFWQV-UHFFFAOYSA-N 1 2 327.457 3.596 20 0 EHADLO Nc1ccc(CCC(=O)OCCc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000773445437 1132546137 /nfs/dbraw/zinc/54/61/37/1132546137.db2.gz BNACHQONVSPVLA-UHFFFAOYSA-N 1 2 339.222 3.689 20 0 EHADLO Cc1nc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)nc2ccccc12 ZINC000746472019 1132550459 /nfs/dbraw/zinc/55/04/59/1132550459.db2.gz YYNJNFQEWQLZLZ-HXUWFJFHSA-N 1 2 343.434 3.666 20 0 EHADLO Oc1cc(F)c(Nc2cc(Br)cn3cc[nH+]c23)c(F)c1 ZINC001175095580 1132567095 /nfs/dbraw/zinc/56/70/95/1132567095.db2.gz IZIDDNSVDSQKSS-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO OCc1ccc(F)c(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001175126833 1132574581 /nfs/dbraw/zinc/57/45/81/1132574581.db2.gz QQVLWCJQNSNYIS-UHFFFAOYSA-N 1 2 347.187 3.794 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000866982443 1132597356 /nfs/dbraw/zinc/59/73/56/1132597356.db2.gz VTKVZJNSKMOBLR-GOSISDBHSA-N 1 2 333.435 3.522 20 0 EHADLO CN(C)c1ccc(Nc2c(Cl)nccc2Br)c[nH+]1 ZINC001175342452 1132626045 /nfs/dbraw/zinc/62/60/45/1132626045.db2.gz QCGWHHWPAOXUQO-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nnc(-c4ccccc4F)n3c2)c[nH+]1 ZINC001175341799 1132626777 /nfs/dbraw/zinc/62/67/77/1132626777.db2.gz ORRMPDAQAFNWMI-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO CN(C)c1ccc(Nc2ccc(F)c(Br)c2F)c[nH+]1 ZINC001175345456 1132627950 /nfs/dbraw/zinc/62/79/50/1132627950.db2.gz CLWGVPABYIJIEZ-UHFFFAOYSA-N 1 2 328.160 3.932 20 0 EHADLO c1nn2cc(Nc3ccc(N4CCCC4)[nH+]c3)cnc2c1C1CCC1 ZINC001175347534 1132629491 /nfs/dbraw/zinc/62/94/91/1132629491.db2.gz OAKBBVWRYYAJIL-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO CC(C)[S@](=O)c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169004631 1132630540 /nfs/dbraw/zinc/63/05/40/1132630540.db2.gz PECJZODVENAFSN-QHCPKHFHSA-N 1 2 327.453 3.505 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001169024365 1132640182 /nfs/dbraw/zinc/64/01/82/1132640182.db2.gz LVSALEGHVAVFGI-YSGRDPCXSA-N 1 2 345.870 3.878 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001169024365 1132640187 /nfs/dbraw/zinc/64/01/87/1132640187.db2.gz LVSALEGHVAVFGI-YSGRDPCXSA-N 1 2 345.870 3.878 20 0 EHADLO OCc1cc(Br)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352887 1132647167 /nfs/dbraw/zinc/64/71/67/1132647167.db2.gz WBRRHPOIWJIDFL-UHFFFAOYSA-N 1 2 348.244 3.680 20 0 EHADLO CC(C)Oc1cc(NC2CCN(c3ncccc3Cl)CC2)cc[nH+]1 ZINC001169169572 1132690984 /nfs/dbraw/zinc/69/09/84/1132690984.db2.gz WIGQYUZNEDXRTJ-UHFFFAOYSA-N 1 2 346.862 3.998 20 0 EHADLO Cc1ccc2[nH]ncc2c1Nc1cccc(F)c1N1CC[NH+](C)CC1 ZINC001175527308 1132700147 /nfs/dbraw/zinc/70/01/47/1132700147.db2.gz HHIIVYRBUHKMCD-UHFFFAOYSA-N 1 2 339.418 3.506 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3ccc(C(=O)N4CCOCC4)cc3)ccc12 ZINC001175541948 1132703714 /nfs/dbraw/zinc/70/37/14/1132703714.db2.gz JYVXJFDUIJSPKM-UHFFFAOYSA-N 1 2 347.418 3.759 20 0 EHADLO O=C(C[NH2+][C@@H](CF)c1ccc(F)cc1)NC1(c2ccccc2)CCC1 ZINC001175559784 1132710593 /nfs/dbraw/zinc/71/05/93/1132710593.db2.gz HPOBFRJKPMYRCH-SFHVURJKSA-N 1 2 344.405 3.622 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@H](C1CCC1)C(F)(F)F ZINC001169284995 1132715624 /nfs/dbraw/zinc/71/56/24/1132715624.db2.gz CWYXZQSACGLARI-CQSZACIVSA-N 1 2 330.350 3.720 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cccc([C@H]2CCCOC2)c1 ZINC000766659788 1132720038 /nfs/dbraw/zinc/72/00/38/1132720038.db2.gz CCZLTQLEWCXOQW-KRWDZBQOSA-N 1 2 336.391 3.585 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1Cl ZINC001169341454 1132731251 /nfs/dbraw/zinc/73/12/51/1132731251.db2.gz DDZOOVBFFQPTRU-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(Cl)c1 ZINC001175713416 1132740307 /nfs/dbraw/zinc/74/03/07/1132740307.db2.gz HCNGRGGGOYZRBX-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO COC(=O)c1cc(C)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175716031 1132742138 /nfs/dbraw/zinc/74/21/38/1132742138.db2.gz RGBYDZJGXRGMEO-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO c1cn(-c2ccc(Nc3ccc(OC4CCOCC4)nc3)cc2)c[nH+]1 ZINC001175726483 1132745387 /nfs/dbraw/zinc/74/53/87/1132745387.db2.gz ILQAQIDEADGBPX-UHFFFAOYSA-N 1 2 336.395 3.569 20 0 EHADLO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1ncccn1 ZINC001175706333 1132753610 /nfs/dbraw/zinc/75/36/10/1132753610.db2.gz DXGBSVOSGMOAQX-UHFFFAOYSA-N 1 2 344.871 3.902 20 0 EHADLO C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)Cc1ncccn1 ZINC001175706333 1132753616 /nfs/dbraw/zinc/75/36/16/1132753616.db2.gz DXGBSVOSGMOAQX-UHFFFAOYSA-N 1 2 344.871 3.902 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2nc(-c3ccncc3)cs2)c[nH+]1 ZINC001175708104 1132754330 /nfs/dbraw/zinc/75/43/30/1132754330.db2.gz LFZKSMPKPOTHKM-UHFFFAOYSA-N 1 2 337.330 3.945 20 0 EHADLO O[C@H]1c2ccccc2CC[C@H]1Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169629756 1132802033 /nfs/dbraw/zinc/80/20/33/1132802033.db2.gz NCTZERIMUROCFY-IRLDBZIGSA-N 1 2 334.463 3.846 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CC ZINC001176045453 1132813394 /nfs/dbraw/zinc/81/33/94/1132813394.db2.gz USBDDCARDXWNGG-XJKSGUPXSA-N 1 2 347.352 3.819 20 0 EHADLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CC ZINC001176045453 1132813399 /nfs/dbraw/zinc/81/33/99/1132813399.db2.gz USBDDCARDXWNGG-XJKSGUPXSA-N 1 2 347.352 3.819 20 0 EHADLO COc1cc[nH+]cc1Nc1cnc2c(Br)cccc2n1 ZINC001176121981 1132853161 /nfs/dbraw/zinc/85/31/61/1132853161.db2.gz WTSLDAGNUPPQOF-UHFFFAOYSA-N 1 2 331.173 3.540 20 0 EHADLO COc1cc[nH+]cc1Nc1c(OC)cc(Br)cc1OC ZINC001176125107 1132854648 /nfs/dbraw/zinc/85/46/48/1132854648.db2.gz VMEAHIHZXSFRSI-UHFFFAOYSA-N 1 2 339.189 3.614 20 0 EHADLO COc1cc(C)cnc1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001176220925 1132879081 /nfs/dbraw/zinc/87/90/81/1132879081.db2.gz XRALCYPOSOUNML-UHFFFAOYSA-N 1 2 336.395 3.658 20 0 EHADLO COc1c[nH+]c(NCc2ccc(-c3ccccn3)cc2)nc1NC1CC1 ZINC001169888212 1132881723 /nfs/dbraw/zinc/88/17/23/1132881723.db2.gz LJSRSHHQBNWHNY-UHFFFAOYSA-N 1 2 347.422 3.734 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001169890642 1132882391 /nfs/dbraw/zinc/88/23/91/1132882391.db2.gz PVPCXXNGSUKNLA-VFVAKGGASA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001169890642 1132882400 /nfs/dbraw/zinc/88/24/00/1132882400.db2.gz PVPCXXNGSUKNLA-VFVAKGGASA-N 1 2 330.255 3.526 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000766908685 1132912804 /nfs/dbraw/zinc/91/28/04/1132912804.db2.gz CVNPZSNLRBBVMQ-LBPRGKRZSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000766908685 1132912811 /nfs/dbraw/zinc/91/28/11/1132912811.db2.gz CVNPZSNLRBBVMQ-LBPRGKRZSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767071204 1132941371 /nfs/dbraw/zinc/94/13/71/1132941371.db2.gz FWVHGMVRNDQRPV-UHFFFAOYSA-N 1 2 345.402 3.786 20 0 EHADLO c1c[nH+]c(N2CCCCC2)c(Nc2cnc(N3CCCCC3)nc2)c1 ZINC001176502541 1132951402 /nfs/dbraw/zinc/95/14/02/1132951402.db2.gz GNRPZJCFVKOUQC-UHFFFAOYSA-N 1 2 338.459 3.596 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1occc1Br)CCO2 ZINC000767187847 1132963500 /nfs/dbraw/zinc/96/35/00/1132963500.db2.gz AFRMFKCKRBUJEB-ZDUSSCGKSA-N 1 2 338.201 3.664 20 0 EHADLO Cc1ccc2c(Nc3ccc(S(C)(=O)=O)c(F)c3)cccc2[nH+]1 ZINC001176743051 1132991389 /nfs/dbraw/zinc/99/13/89/1132991389.db2.gz XOWDYNZRUHASGT-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO COc1cc(Br)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176744541 1132991415 /nfs/dbraw/zinc/99/14/15/1132991415.db2.gz WKHINQHARHWOPN-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)cc(Br)n1 ZINC001176748818 1132992396 /nfs/dbraw/zinc/99/23/96/1132992396.db2.gz CJVQPCHQQSXFSX-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1ccnc(Br)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749709 1132992407 /nfs/dbraw/zinc/99/24/07/1132992407.db2.gz GZWAYQGTKHMOBW-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Brc1ncc(Nc2ccc[nH+]c2N2CCCC2)s1 ZINC001176750553 1132992796 /nfs/dbraw/zinc/99/27/96/1132992796.db2.gz YOAZYGUCXQUUNB-UHFFFAOYSA-N 1 2 325.235 3.644 20 0 EHADLO Brc1nc(Nc2ccc[nH+]c2N2CCCC2)cs1 ZINC001176750378 1132993127 /nfs/dbraw/zinc/99/31/27/1132993127.db2.gz QNXKKNCZAGFHGG-UHFFFAOYSA-N 1 2 325.235 3.644 20 0 EHADLO Cc1sc(NC(=O)Cc2c[nH]c[nH+]2)c(C(=O)c2ccccc2)c1C ZINC001176826987 1133003023 /nfs/dbraw/zinc/00/30/23/1133003023.db2.gz ASAHIKCGNJJNFL-UHFFFAOYSA-N 1 2 339.420 3.500 20 0 EHADLO Cc1nnsc1[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2C)CC1 ZINC001176842124 1133004422 /nfs/dbraw/zinc/00/44/22/1133004422.db2.gz OMSKOPWWQRVZNX-CYBMUJFWSA-N 1 2 336.892 3.692 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CC(C)(C)CC(C)(C)C3)n2c(C)c1C ZINC000767516853 1133011515 /nfs/dbraw/zinc/01/15/15/1133011515.db2.gz QXYGMDZYHLTXBX-UHFFFAOYSA-N 1 2 347.532 3.901 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1C ZINC001176964680 1133015982 /nfs/dbraw/zinc/01/59/82/1133015982.db2.gz JEVSMLSUUKOFGB-IBGZPJMESA-N 1 2 337.467 3.573 20 0 EHADLO CCc1ccc2c(c1)C[N@@H+](Cc1ccncc1Br)CC2 ZINC001177033775 1133019743 /nfs/dbraw/zinc/01/97/43/1133019743.db2.gz SOKWODGZUBVNOB-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CCc1ccc2c(c1)C[N@H+](Cc1ccncc1Br)CC2 ZINC001177033775 1133019745 /nfs/dbraw/zinc/01/97/45/1133019745.db2.gz SOKWODGZUBVNOB-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC001177014323 1133021720 /nfs/dbraw/zinc/02/17/20/1133021720.db2.gz VOYGPTRBWQSWCS-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1cc(NC(=O)CN(C)c2cccc[nH+]2)cc(C)c1Br ZINC001177408610 1133062941 /nfs/dbraw/zinc/06/29/41/1133062941.db2.gz JYGJRDYIMAVKRU-UHFFFAOYSA-N 1 2 348.244 3.536 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767936599 1133072709 /nfs/dbraw/zinc/07/27/09/1133072709.db2.gz ARURZGBWNMRDQJ-IBGZPJMESA-N 1 2 340.471 3.983 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cn1ccc(Br)n1 ZINC000767962085 1133077560 /nfs/dbraw/zinc/07/75/60/1133077560.db2.gz DTNDRTSIKNSSRL-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)Cn1ccc(Br)n1 ZINC000767962085 1133077562 /nfs/dbraw/zinc/07/75/62/1133077562.db2.gz DTNDRTSIKNSSRL-UHFFFAOYSA-N 1 2 348.166 3.754 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)n1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177615271 1133086963 /nfs/dbraw/zinc/08/69/63/1133086963.db2.gz BAYVENHGOZKKSZ-LBPRGKRZSA-N 1 2 340.210 3.585 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)n1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177615271 1133086967 /nfs/dbraw/zinc/08/69/67/1133086967.db2.gz BAYVENHGOZKKSZ-LBPRGKRZSA-N 1 2 340.210 3.585 20 0 EHADLO CC[N@H+](CCO)Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000768140773 1133101435 /nfs/dbraw/zinc/10/14/35/1133101435.db2.gz JUUCNWIFRCGOHH-UHFFFAOYSA-N 1 2 335.879 3.522 20 0 EHADLO CC[N@@H+](CCO)Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000768140773 1133101437 /nfs/dbraw/zinc/10/14/37/1133101437.db2.gz JUUCNWIFRCGOHH-UHFFFAOYSA-N 1 2 335.879 3.522 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)CC1=Cc2ccccc2OC1 ZINC000768170709 1133105423 /nfs/dbraw/zinc/10/54/23/1133105423.db2.gz UIVWHRPMZYBODZ-UHFFFAOYSA-N 1 2 342.826 3.686 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)CC1=Cc2ccccc2OC1 ZINC000768170709 1133105424 /nfs/dbraw/zinc/10/54/24/1133105424.db2.gz UIVWHRPMZYBODZ-UHFFFAOYSA-N 1 2 342.826 3.686 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2c(Cl)nc3ccccn32)cc1 ZINC000768199601 1133106127 /nfs/dbraw/zinc/10/61/27/1133106127.db2.gz XAYLPZOZKYDVRC-UHFFFAOYSA-N 1 2 345.830 3.507 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2c(Cl)nc3ccccn32)cc1 ZINC000768199601 1133106129 /nfs/dbraw/zinc/10/61/29/1133106129.db2.gz XAYLPZOZKYDVRC-UHFFFAOYSA-N 1 2 345.830 3.507 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(C3CC3)n2)cc1OC ZINC000768231499 1133115084 /nfs/dbraw/zinc/11/50/84/1133115084.db2.gz WVQWNXPZUGZABK-MRXNPFEDSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(C3CC3)n2)cc1OC ZINC000768231499 1133115088 /nfs/dbraw/zinc/11/50/88/1133115088.db2.gz WVQWNXPZUGZABK-MRXNPFEDSA-N 1 2 328.412 3.906 20 0 EHADLO c1nc(-c2ccccc2)[nH]c1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC001178016153 1133124414 /nfs/dbraw/zinc/12/44/14/1133124414.db2.gz QFXFHLYQJZLIIB-UHFFFAOYSA-N 1 2 348.450 3.521 20 0 EHADLO CC(C)(C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(O)cc1 ZINC000773729569 1133146774 /nfs/dbraw/zinc/14/67/74/1133146774.db2.gz PQUQHSRRVDSEAI-UHFFFAOYSA-N 1 2 336.391 3.599 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000768907247 1133201239 /nfs/dbraw/zinc/20/12/39/1133201239.db2.gz NLCXWIXKSRQTLR-QGZVFWFLSA-N 1 2 346.421 3.660 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000768930557 1133205868 /nfs/dbraw/zinc/20/58/68/1133205868.db2.gz XELWEHIJCWZYGF-FLIBITNWSA-N 1 2 325.456 3.743 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)CSc2nc3ccccc3s2)[nH+]1 ZINC001179088199 1133227472 /nfs/dbraw/zinc/22/74/72/1133227472.db2.gz OORDDGHKGLBYQB-UHFFFAOYSA-N 1 2 346.481 3.551 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)CSc2nc3ccccc3s2)c[nH+]1 ZINC001179088199 1133227479 /nfs/dbraw/zinc/22/74/79/1133227479.db2.gz OORDDGHKGLBYQB-UHFFFAOYSA-N 1 2 346.481 3.551 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c(C)o1 ZINC000769232141 1133247776 /nfs/dbraw/zinc/24/77/76/1133247776.db2.gz HIXKFSMHVMHUKE-UHFFFAOYSA-N 1 2 340.467 3.564 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc2[nH]c(=O)oc21 ZINC001179815559 1133285910 /nfs/dbraw/zinc/28/59/10/1133285910.db2.gz HUERIYXLHNZRCG-UHFFFAOYSA-N 1 2 326.331 3.654 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)o1 ZINC000769461174 1133295791 /nfs/dbraw/zinc/29/57/91/1133295791.db2.gz QETCMZGJFXAICW-YOEHRIQHSA-N 1 2 345.874 3.769 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769765748 1133338336 /nfs/dbraw/zinc/33/83/36/1133338336.db2.gz YBDZOURUDZVOOJ-SYCZXOQXSA-N 1 2 343.858 3.883 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCOCC23CCCC3)s1 ZINC001180220095 1133345401 /nfs/dbraw/zinc/34/54/01/1133345401.db2.gz ZRVVWERMQDTPPO-UHFFFAOYSA-N 1 2 337.485 3.848 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCOCC23CCCC3)s1 ZINC001180220095 1133345405 /nfs/dbraw/zinc/34/54/05/1133345405.db2.gz ZRVVWERMQDTPPO-UHFFFAOYSA-N 1 2 337.485 3.848 20 0 EHADLO CCC1(CC)CC[N@H+](Cc2oc(Br)cc2C(=O)OC)C1 ZINC001180271254 1133352274 /nfs/dbraw/zinc/35/22/74/1133352274.db2.gz GSACRJVJFMWIBY-UHFFFAOYSA-N 1 2 344.249 3.841 20 0 EHADLO CCC1(CC)CC[N@@H+](Cc2oc(Br)cc2C(=O)OC)C1 ZINC001180271254 1133352279 /nfs/dbraw/zinc/35/22/79/1133352279.db2.gz GSACRJVJFMWIBY-UHFFFAOYSA-N 1 2 344.249 3.841 20 0 EHADLO COc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1OC(C)C ZINC000769911674 1133358071 /nfs/dbraw/zinc/35/80/71/1133358071.db2.gz ZZEOODVGFMTRKO-UHFFFAOYSA-N 1 2 326.849 3.882 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)COC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001180327433 1133361686 /nfs/dbraw/zinc/36/16/86/1133361686.db2.gz LSZKHEBIGATSQD-AWEZNQCLSA-N 1 2 347.286 3.527 20 0 EHADLO COc1cccc(N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1F ZINC000769986339 1133373142 /nfs/dbraw/zinc/37/31/42/1133373142.db2.gz NSUORSZKWLMNFA-QRWLVFNGSA-N 1 2 344.430 3.708 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc2cccnc12 ZINC001180672517 1133399882 /nfs/dbraw/zinc/39/98/82/1133399882.db2.gz IROGDPYGIKAJJA-UHFFFAOYSA-N 1 2 330.391 3.883 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC001180707205 1133408532 /nfs/dbraw/zinc/40/85/32/1133408532.db2.gz GCUISRKANLWWJX-KXBFYZLASA-N 1 2 342.870 3.925 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC001180707205 1133408535 /nfs/dbraw/zinc/40/85/35/1133408535.db2.gz GCUISRKANLWWJX-KXBFYZLASA-N 1 2 342.870 3.925 20 0 EHADLO CSCc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000770441847 1133430578 /nfs/dbraw/zinc/43/05/78/1133430578.db2.gz ONJQJPZZQXMEKX-OAHLLOKOSA-N 1 2 344.484 3.695 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c(C)c1Br ZINC000770669621 1133457848 /nfs/dbraw/zinc/45/78/48/1133457848.db2.gz DYXZDIJXSPVXLO-LLVKDONJSA-N 1 2 326.282 3.732 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(C)c1Br ZINC000770669621 1133457852 /nfs/dbraw/zinc/45/78/52/1133457852.db2.gz DYXZDIJXSPVXLO-LLVKDONJSA-N 1 2 326.282 3.732 20 0 EHADLO CCCC(=CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)CCC ZINC000770703734 1133463871 /nfs/dbraw/zinc/46/38/71/1133463871.db2.gz GEGJCADQNDDLKN-UHFFFAOYSA-N 1 2 330.472 3.984 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770923015 1133484460 /nfs/dbraw/zinc/48/44/60/1133484460.db2.gz VOGQHGXARJUEAZ-OAHLLOKOSA-N 1 2 338.407 3.970 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000770926144 1133485417 /nfs/dbraw/zinc/48/54/17/1133485417.db2.gz QAMFAAUHWMZJPV-RYUDHWBXSA-N 1 2 326.318 3.746 20 0 EHADLO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925807 1133485850 /nfs/dbraw/zinc/48/58/50/1133485850.db2.gz OTKMYZLBAMRAPI-PVAVHDDUSA-N 1 2 330.428 3.751 20 0 EHADLO CC[N@H+](Cc1nc(CO)cs1)Cc1cccc(-c2ccncc2)c1 ZINC001181497313 1133493863 /nfs/dbraw/zinc/49/38/63/1133493863.db2.gz HHMWFFMTSSRKKC-UHFFFAOYSA-N 1 2 339.464 3.720 20 0 EHADLO CC[N@@H+](Cc1nc(CO)cs1)Cc1cccc(-c2ccncc2)c1 ZINC001181497313 1133493866 /nfs/dbraw/zinc/49/38/66/1133493866.db2.gz HHMWFFMTSSRKKC-UHFFFAOYSA-N 1 2 339.464 3.720 20 0 EHADLO CCOc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1O ZINC000771109443 1133510921 /nfs/dbraw/zinc/51/09/21/1133510921.db2.gz QFFNGEGPPXZAMM-UHFFFAOYSA-N 1 2 348.362 3.694 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1ccc(F)c(F)c1N(C)C)CC2 ZINC001181818053 1133535257 /nfs/dbraw/zinc/53/52/57/1133535257.db2.gz HAYGUSJHAZRPGO-UHFFFAOYSA-N 1 2 332.394 3.598 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1ccc(F)c(F)c1N(C)C)CC2 ZINC001181818053 1133535260 /nfs/dbraw/zinc/53/52/60/1133535260.db2.gz HAYGUSJHAZRPGO-UHFFFAOYSA-N 1 2 332.394 3.598 20 0 EHADLO c1cnn(-c2ccc(C[NH+]3CC(OCCCc4ccccc4)C3)cc2)c1 ZINC001182214945 1133597007 /nfs/dbraw/zinc/59/70/07/1133597007.db2.gz BDEVGHSMXNLPSC-UHFFFAOYSA-N 1 2 347.462 3.706 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1CCc2[nH]ccc2C1)c1ccccc1Cl ZINC001182220080 1133598717 /nfs/dbraw/zinc/59/87/17/1133598717.db2.gz ILVRPZHIDJYHHQ-GOSISDBHSA-N 1 2 345.874 3.636 20 0 EHADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)n1[C@H](C)c1ccccc1 ZINC000771898721 1133613424 /nfs/dbraw/zinc/61/34/24/1133613424.db2.gz OADDUPPQWUWSTO-MRXNPFEDSA-N 1 2 337.423 3.768 20 0 EHADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)sc1-c1ccc(F)cc1 ZINC000771952445 1133619949 /nfs/dbraw/zinc/61/99/49/1133619949.db2.gz TYTVMEMOCMCQCL-UHFFFAOYSA-N 1 2 330.384 3.916 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000771978321 1133623334 /nfs/dbraw/zinc/62/33/34/1133623334.db2.gz YHADENXJXPQEPE-ZIAGYGMSSA-N 1 2 325.195 3.537 20 0 EHADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000772146314 1133650742 /nfs/dbraw/zinc/65/07/42/1133650742.db2.gz PASOXQGOTPIWKN-FQEVSTJZSA-N 1 2 338.451 3.796 20 0 EHADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000772146314 1133650746 /nfs/dbraw/zinc/65/07/46/1133650746.db2.gz PASOXQGOTPIWKN-FQEVSTJZSA-N 1 2 338.451 3.796 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2(F)CCCC2)C[C@H](C)O1 ZINC000772232713 1133664064 /nfs/dbraw/zinc/66/40/64/1133664064.db2.gz VLAJLUMGHILZGL-GASCZTMLSA-N 1 2 334.435 3.517 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2(F)CCCC2)C[C@H](C)O1 ZINC000772232713 1133664067 /nfs/dbraw/zinc/66/40/67/1133664067.db2.gz VLAJLUMGHILZGL-GASCZTMLSA-N 1 2 334.435 3.517 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780427673 1133706169 /nfs/dbraw/zinc/70/61/69/1133706169.db2.gz OBQBSQMIKIZRIE-MGPUTAFESA-N 1 2 340.492 3.815 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780427673 1133706172 /nfs/dbraw/zinc/70/61/72/1133706172.db2.gz OBQBSQMIKIZRIE-MGPUTAFESA-N 1 2 340.492 3.815 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[NH2+]C2(c3nccs3)CCCC2)C(=O)O1 ZINC000785507328 1133714956 /nfs/dbraw/zinc/71/49/56/1133714956.db2.gz KVIRBLFWOMUFST-ZDUSSCGKSA-N 1 2 337.489 3.717 20 0 EHADLO CCc1cc(CNc2cc[nH+]c3c(Br)cccc23)[nH]n1 ZINC000774529731 1133715863 /nfs/dbraw/zinc/71/58/63/1133715863.db2.gz LPVRFJQELPFCMN-UHFFFAOYSA-N 1 2 331.217 3.895 20 0 EHADLO CCc1cc(CNc2cc[nH+]c3c(Br)cccc23)n[nH]1 ZINC000774529731 1133715870 /nfs/dbraw/zinc/71/58/70/1133715870.db2.gz LPVRFJQELPFCMN-UHFFFAOYSA-N 1 2 331.217 3.895 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2ccc3ccccc3c2)CC(C)(C)O1 ZINC000785523455 1133716824 /nfs/dbraw/zinc/71/68/24/1133716824.db2.gz LLJZYEFJQFKFTD-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cccc(Oc2ccccc2)c1 ZINC001182736096 1133726294 /nfs/dbraw/zinc/72/62/94/1133726294.db2.gz JAZDMMYFJLQKMF-INIZCTEOSA-N 1 2 335.407 3.595 20 0 EHADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)c1cccc(Oc2ccccc2)c1 ZINC001182744022 1133727479 /nfs/dbraw/zinc/72/74/79/1133727479.db2.gz XQPDAFXWWTVYAA-INIZCTEOSA-N 1 2 349.434 3.675 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1C ZINC000785733443 1133742671 /nfs/dbraw/zinc/74/26/71/1133742671.db2.gz QZLHEJHHRGUMEA-GJZGRUSLSA-N 1 2 331.456 3.730 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1c[nH]nc1-c1ccco1 ZINC001183350585 1133797590 /nfs/dbraw/zinc/79/75/90/1133797590.db2.gz VDKGNQUUGGRDHW-UHFFFAOYSA-N 1 2 333.351 3.621 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCOCC[C@H]3C)c2=S)c(C)c1 ZINC000774659608 1133838714 /nfs/dbraw/zinc/83/87/14/1133838714.db2.gz JISUMSGNGLOGHY-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCOCC[C@H]3C)c2=S)c(C)c1 ZINC000774659608 1133838720 /nfs/dbraw/zinc/83/87/20/1133838720.db2.gz JISUMSGNGLOGHY-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754086 1133853854 /nfs/dbraw/zinc/85/38/54/1133853854.db2.gz YVCZUJZIHNQWOX-SFHVURJKSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1cc(F)cc2cccnc21)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754086 1133853861 /nfs/dbraw/zinc/85/38/61/1133853861.db2.gz YVCZUJZIHNQWOX-SFHVURJKSA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1ccc(-c2ccccc2)cc1F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786757273 1133897232 /nfs/dbraw/zinc/89/72/32/1133897232.db2.gz NFNDANFWXAZUID-MRXNPFEDSA-N 1 2 335.382 3.890 20 0 EHADLO CCCn1c[nH+]cc1CN(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001184364652 1133926319 /nfs/dbraw/zinc/92/63/19/1133926319.db2.gz WARIOUYKCFHLAX-AWEZNQCLSA-N 1 2 332.517 3.897 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](C)c1ccccc1Cl ZINC001184477214 1133946710 /nfs/dbraw/zinc/94/67/10/1133946710.db2.gz NXPFUOZBEMAJGH-LLVKDONJSA-N 1 2 337.876 3.525 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(Br)nn1C ZINC000787064791 1133951774 /nfs/dbraw/zinc/95/17/74/1133951774.db2.gz NKHZUUAZEDMGEA-UHFFFAOYSA-N 1 2 348.697 3.920 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(Br)nn1C ZINC000787064791 1133951779 /nfs/dbraw/zinc/95/17/79/1133951779.db2.gz NKHZUUAZEDMGEA-UHFFFAOYSA-N 1 2 348.697 3.920 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000787062245 1133952075 /nfs/dbraw/zinc/95/20/75/1133952075.db2.gz TVXAQZCPSJJTTJ-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000787062245 1133952077 /nfs/dbraw/zinc/95/20/77/1133952077.db2.gz TVXAQZCPSJJTTJ-LLVKDONJSA-N 1 2 326.263 3.581 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@H+](C)CCC3CC3)c(=S)o2)c1 ZINC000746638455 1133955004 /nfs/dbraw/zinc/95/50/04/1133955004.db2.gz YSASIRKPULXKDN-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO COc1cc(OC)cc(-c2nn(C[N@@H+](C)CCC3CC3)c(=S)o2)c1 ZINC000746638455 1133955009 /nfs/dbraw/zinc/95/50/09/1133955009.db2.gz YSASIRKPULXKDN-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO O=c1ccccn1-c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184965161 1134008200 /nfs/dbraw/zinc/00/82/00/1134008200.db2.gz SQRJFKKHUKZBAZ-UHFFFAOYSA-N 1 2 332.407 3.576 20 0 EHADLO CC(=O)N1CC2(CC2)c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc21 ZINC001184968499 1134009705 /nfs/dbraw/zinc/00/97/05/1134009705.db2.gz NPBSUBSPIWCQQA-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl ZINC000774820403 1134031138 /nfs/dbraw/zinc/03/11/38/1134031138.db2.gz JQQUPXQADSILRW-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl ZINC000774820403 1134031142 /nfs/dbraw/zinc/03/11/42/1134031142.db2.gz JQQUPXQADSILRW-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO CCc1cc(NC[C@H](O)c2ccccc2C(F)(F)F)nc(CC)[nH+]1 ZINC001185081701 1134034281 /nfs/dbraw/zinc/03/42/81/1134034281.db2.gz RQYJVLAPAZSNEY-AWEZNQCLSA-N 1 2 339.361 3.766 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cc(C)ccc2F)CC1 ZINC001185236678 1134055886 /nfs/dbraw/zinc/05/58/86/1134055886.db2.gz OIKWGQXZDBXNTG-UHFFFAOYSA-N 1 2 342.418 3.608 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C12CCC(F)(CC1)CC2 ZINC001185529276 1134104057 /nfs/dbraw/zinc/10/40/57/1134104057.db2.gz PNUCCQHIWIDLLR-UHFFFAOYSA-N 1 2 327.403 3.932 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185609906 1134112936 /nfs/dbraw/zinc/11/29/36/1134112936.db2.gz LUQGMYNVNHTZHR-UHFFFAOYSA-N 1 2 344.312 3.595 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185637309 1134116058 /nfs/dbraw/zinc/11/60/58/1134116058.db2.gz DTYNEYVPNJMQDZ-UHFFFAOYSA-N 1 2 344.312 3.944 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(C)[nH+]c(CC)n1 ZINC001186080250 1134165194 /nfs/dbraw/zinc/16/51/94/1134165194.db2.gz ZZKCWGVGJPRUSE-OAHLLOKOSA-N 1 2 348.491 3.573 20 0 EHADLO CC[C@H]1CN(C(=O)c2nc(Cl)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000788768973 1134167077 /nfs/dbraw/zinc/16/70/77/1134167077.db2.gz PBUHIEWFGSEHMB-AWEZNQCLSA-N 1 2 349.887 3.533 20 0 EHADLO CC[C@H]1CN(C(=O)c2nc(Cl)cs2)CC[N@H+]1Cc1ccccc1 ZINC000788768973 1134167080 /nfs/dbraw/zinc/16/70/80/1134167080.db2.gz PBUHIEWFGSEHMB-AWEZNQCLSA-N 1 2 349.887 3.533 20 0 EHADLO CCc1ccc([C@@H]2CN(c3nc(C)[nH+]c4c3CCCC4)CCO2)cc1 ZINC001186113912 1134170980 /nfs/dbraw/zinc/17/09/80/1134170980.db2.gz YNABQXXESIRCCH-FQEVSTJZSA-N 1 2 337.467 3.804 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1(C)C ZINC001186681569 1134248985 /nfs/dbraw/zinc/24/89/85/1134248985.db2.gz SIEXZVKUXDCPLE-UONOGXRCSA-N 1 2 345.491 3.975 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](CC)c2ccccc2OC)cs1 ZINC000775076486 1134283218 /nfs/dbraw/zinc/28/32/18/1134283218.db2.gz KSPMKUCANFTKJC-CQSZACIVSA-N 1 2 334.441 3.569 20 0 EHADLO C[C@H]1C(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000789526317 1134290491 /nfs/dbraw/zinc/29/04/91/1134290491.db2.gz BYHUTMYQJXFWEM-CJNGLKHVSA-N 1 2 340.389 3.828 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525669 1134290742 /nfs/dbraw/zinc/29/07/42/1134290742.db2.gz LPUFWJSFECKIMJ-KRWDZBQOSA-N 1 2 346.833 3.712 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525669 1134290745 /nfs/dbraw/zinc/29/07/45/1134290745.db2.gz LPUFWJSFECKIMJ-KRWDZBQOSA-N 1 2 346.833 3.712 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000789527890 1134290779 /nfs/dbraw/zinc/29/07/79/1134290779.db2.gz MHRBZRACFNZEMO-HNNXBMFYSA-N 1 2 326.362 3.582 20 0 EHADLO C[C@@]1(CCNc2[nH+]cnc3c2cnn3-c2ccccc2F)CC1(F)F ZINC001187073777 1134293519 /nfs/dbraw/zinc/29/35/19/1134293519.db2.gz QTDRGYICMQAODC-MRXNPFEDSA-N 1 2 347.344 3.802 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1F)c1ccncc1 ZINC001187243595 1134312985 /nfs/dbraw/zinc/31/29/85/1134312985.db2.gz WYQVRXOMILYAIW-ZDUSSCGKSA-N 1 2 348.385 3.565 20 0 EHADLO CSc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001188026936 1134418711 /nfs/dbraw/zinc/41/87/11/1134418711.db2.gz QERYRWDHADBRLN-UHFFFAOYSA-N 1 2 343.452 3.879 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000790451676 1134420141 /nfs/dbraw/zinc/42/01/41/1134420141.db2.gz PLJAACCKDTWRQM-KRWDZBQOSA-N 1 2 331.847 3.524 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000790451676 1134420143 /nfs/dbraw/zinc/42/01/43/1134420143.db2.gz PLJAACCKDTWRQM-KRWDZBQOSA-N 1 2 331.847 3.524 20 0 EHADLO O=C1Nc2ccccc2S[C@H]1CCSc1[nH+]cc2ccccn21 ZINC001188155234 1134439657 /nfs/dbraw/zinc/43/96/57/1134439657.db2.gz RWCWKTNVNYUZAN-HNNXBMFYSA-N 1 2 341.461 3.930 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCCSCc1ccccc1)c1ccccc1 ZINC000790663901 1134453794 /nfs/dbraw/zinc/45/37/94/1134453794.db2.gz JDUYEHADNYGODV-SFHVURJKSA-N 1 2 329.465 3.766 20 0 EHADLO COc1ccc(NC(=O)Nc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC001188443505 1134464372 /nfs/dbraw/zinc/46/43/72/1134464372.db2.gz XEFZFIRBKLCOQF-UHFFFAOYSA-N 1 2 346.818 3.988 20 0 EHADLO O=C(Nc1ccc2ccccc2c1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001188601834 1134480680 /nfs/dbraw/zinc/48/06/80/1134480680.db2.gz VFNRGOMJYHRZLG-UHFFFAOYSA-N 1 2 345.393 3.787 20 0 EHADLO CN(C)c1[nH+]cc(COc2nccc(C(F)(F)F)n2)c2ccccc21 ZINC001188661208 1134489146 /nfs/dbraw/zinc/48/91/46/1134489146.db2.gz XEMYNUHGSMTILC-UHFFFAOYSA-N 1 2 348.328 3.689 20 0 EHADLO COCc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791274756 1134525381 /nfs/dbraw/zinc/52/53/81/1134525381.db2.gz QMXJUKFYPVGTLL-UHFFFAOYSA-N 1 2 336.391 3.684 20 0 EHADLO CC(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791326430 1134532281 /nfs/dbraw/zinc/53/22/81/1134532281.db2.gz MULMRPACZFHYLN-UHFFFAOYSA-N 1 2 334.375 3.740 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCc1ccc(O)cc1 ZINC000791338977 1134533751 /nfs/dbraw/zinc/53/37/51/1134533751.db2.gz ITUAXDIXEZCELU-UHFFFAOYSA-N 1 2 336.391 3.562 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(C(C)C)no1 ZINC000791380722 1134537645 /nfs/dbraw/zinc/53/76/45/1134537645.db2.gz MTWXQEYEIQBVCM-UHFFFAOYSA-N 1 2 325.368 3.649 20 0 EHADLO CCC1=C(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCCO1 ZINC000791537588 1134566460 /nfs/dbraw/zinc/56/64/60/1134566460.db2.gz PYUYMQUGUMEEDZ-UHFFFAOYSA-N 1 2 326.396 3.698 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000791558173 1134573269 /nfs/dbraw/zinc/57/32/69/1134573269.db2.gz PKRAXVXRQLPEBC-VFVAKGGASA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000791558173 1134573274 /nfs/dbraw/zinc/57/32/74/1134573274.db2.gz PKRAXVXRQLPEBC-VFVAKGGASA-N 1 2 330.255 3.526 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)s1 ZINC000791642636 1134583628 /nfs/dbraw/zinc/58/36/28/1134583628.db2.gz PRZFRFHBYBBCRN-QGZVFWFLSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)s1 ZINC000791642636 1134583632 /nfs/dbraw/zinc/58/36/32/1134583632.db2.gz PRZFRFHBYBBCRN-QGZVFWFLSA-N 1 2 344.480 3.858 20 0 EHADLO Nc1cc(COC(=O)c2cccc(OCc3cccs3)c2)cc[nH+]1 ZINC000791719264 1134594281 /nfs/dbraw/zinc/59/42/81/1134594281.db2.gz OTPZADWQIJYEHE-UHFFFAOYSA-N 1 2 340.404 3.661 20 0 EHADLO Cc1ccccc1CNc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791720054 1134595181 /nfs/dbraw/zinc/59/51/81/1134595181.db2.gz QRAKQPYWPBNXMV-UHFFFAOYSA-N 1 2 347.418 3.941 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)OCCCCCF)c2)cc[nH+]1 ZINC000792135509 1134656083 /nfs/dbraw/zinc/65/60/83/1134656083.db2.gz PJAZKNFZEFNHLV-UHFFFAOYSA-N 1 2 331.391 3.694 20 0 EHADLO CCc1cn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c[nH+]1 ZINC001190105019 1134656853 /nfs/dbraw/zinc/65/68/53/1134656853.db2.gz YEAIRJCSYJOVHU-UHFFFAOYSA-N 1 2 343.814 3.675 20 0 EHADLO O=C(Nc1nc2ccccc2nc1Cl)c1ccccc1-n1cc[nH+]c1 ZINC001190074585 1134657945 /nfs/dbraw/zinc/65/79/45/1134657945.db2.gz FYILPQKPJZDJJQ-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001190318061 1134679198 /nfs/dbraw/zinc/67/91/98/1134679198.db2.gz KFTXFCIOLZUALG-IBGZPJMESA-N 1 2 345.483 3.731 20 0 EHADLO O[C@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)c(F)c1 ZINC000792323264 1134679897 /nfs/dbraw/zinc/67/98/97/1134679897.db2.gz PIXYOEPMIMTHTO-GOSISDBHSA-N 1 2 339.332 3.941 20 0 EHADLO O[C@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)c(F)c1 ZINC000792323264 1134679900 /nfs/dbraw/zinc/67/99/00/1134679900.db2.gz PIXYOEPMIMTHTO-GOSISDBHSA-N 1 2 339.332 3.941 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1c[nH+]cn1C(C)C ZINC001190391732 1134690061 /nfs/dbraw/zinc/69/00/61/1134690061.db2.gz VZSAWIWFXGNEAF-UHFFFAOYSA-N 1 2 339.399 3.749 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C/C(=O)N2CCc3cc[nH+]c(N)c3C2)C1(C)C ZINC001170267426 1134728413 /nfs/dbraw/zinc/72/84/13/1134728413.db2.gz AMONZVGESDPMOQ-TTYYURRGSA-N 1 2 327.472 3.567 20 0 EHADLO CCCCCc1nnc(NC(=O)C[NH+]2CCC(C)(CC)CC2)s1 ZINC001190691967 1134740970 /nfs/dbraw/zinc/74/09/70/1134740970.db2.gz SVOFEJUQIWMCFT-UHFFFAOYSA-N 1 2 338.521 3.721 20 0 EHADLO COCC[N@H+](CCCc1ccccc1Cl)CC(=O)OC(C)(C)C ZINC001190924691 1134765498 /nfs/dbraw/zinc/76/54/98/1134765498.db2.gz LZMMHOSGTGDKCL-UHFFFAOYSA-N 1 2 341.879 3.563 20 0 EHADLO COCC[N@@H+](CCCc1ccccc1Cl)CC(=O)OC(C)(C)C ZINC001190924691 1134765503 /nfs/dbraw/zinc/76/55/03/1134765503.db2.gz LZMMHOSGTGDKCL-UHFFFAOYSA-N 1 2 341.879 3.563 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N(CC1CC1)CC1CCC1 ZINC000792931945 1134829628 /nfs/dbraw/zinc/82/96/28/1134829628.db2.gz YXCORUCISXDVFE-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)cc(Cl)c1Br ZINC000793162162 1134857584 /nfs/dbraw/zinc/85/75/84/1134857584.db2.gz NBVHUHLKQWYQQZ-UHFFFAOYSA-N 1 2 343.608 3.501 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)s1 ZINC000793169915 1134866389 /nfs/dbraw/zinc/86/63/89/1134866389.db2.gz MTOFNOOJSABREB-SNVBAGLBSA-N 1 2 349.406 3.870 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001191486270 1134871430 /nfs/dbraw/zinc/87/14/30/1134871430.db2.gz OLBLYCKVHKBYKT-KRWDZBQOSA-N 1 2 349.837 3.983 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001191486270 1134871434 /nfs/dbraw/zinc/87/14/34/1134871434.db2.gz OLBLYCKVHKBYKT-KRWDZBQOSA-N 1 2 349.837 3.983 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](F)CC2CCCCC2)c1C ZINC000793281564 1134900631 /nfs/dbraw/zinc/90/06/31/1134900631.db2.gz SDIOPPSQGDEWNZ-MRXNPFEDSA-N 1 2 336.451 3.974 20 0 EHADLO COc1ccc2nc(Cl)c(C(=O)Nc3cc(C)[nH+]cc3C)cc2c1 ZINC000775495128 1134947964 /nfs/dbraw/zinc/94/79/64/1134947964.db2.gz ZJWQMFOPQSYCQM-UHFFFAOYSA-N 1 2 341.798 3.583 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001192053089 1134962194 /nfs/dbraw/zinc/96/21/94/1134962194.db2.gz VJPTVMLXSWUATE-ZDUSSCGKSA-N 1 2 329.391 3.963 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001192053089 1134962201 /nfs/dbraw/zinc/96/22/01/1134962201.db2.gz VJPTVMLXSWUATE-ZDUSSCGKSA-N 1 2 329.391 3.963 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC001192197296 1134977775 /nfs/dbraw/zinc/97/77/75/1134977775.db2.gz DYMXNFOOMGMZGQ-DNVCBOLYSA-N 1 2 349.471 3.676 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001192197296 1134977780 /nfs/dbraw/zinc/97/77/80/1134977780.db2.gz DYMXNFOOMGMZGQ-DNVCBOLYSA-N 1 2 349.471 3.676 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC001192213169 1134981540 /nfs/dbraw/zinc/98/15/40/1134981540.db2.gz CDODMTSUDIDOTK-OCCSQVGLSA-N 1 2 331.362 3.724 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC001192213169 1134981546 /nfs/dbraw/zinc/98/15/46/1134981546.db2.gz CDODMTSUDIDOTK-OCCSQVGLSA-N 1 2 331.362 3.724 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccc3)nc2=S)C1 ZINC000793798000 1134991349 /nfs/dbraw/zinc/99/13/49/1134991349.db2.gz TZWXCAJSTKBRTG-ZDUSSCGKSA-N 1 2 334.514 3.640 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccc3)nc2=S)C1 ZINC000793798000 1134991352 /nfs/dbraw/zinc/99/13/52/1134991352.db2.gz TZWXCAJSTKBRTG-ZDUSSCGKSA-N 1 2 334.514 3.640 20 0 EHADLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001192302414 1135002380 /nfs/dbraw/zinc/00/23/80/1135002380.db2.gz JNZVPYNVMOHVNK-MRXNPFEDSA-N 1 2 347.480 3.906 20 0 EHADLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001192302414 1135002383 /nfs/dbraw/zinc/00/23/83/1135002383.db2.gz JNZVPYNVMOHVNK-MRXNPFEDSA-N 1 2 347.480 3.906 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC001192383762 1135009694 /nfs/dbraw/zinc/00/96/94/1135009694.db2.gz QJVXOETVFNFQHP-UHFFFAOYSA-N 1 2 338.386 3.984 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000794213154 1135033169 /nfs/dbraw/zinc/03/31/69/1135033169.db2.gz LAYTYAJMWAMYPJ-SFHVURJKSA-N 1 2 346.390 3.841 20 0 EHADLO Cc1ccc(Oc2ccccc2C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001193081430 1135097174 /nfs/dbraw/zinc/09/71/74/1135097174.db2.gz LWMRXUPQBGBHEB-UHFFFAOYSA-N 1 2 348.402 3.991 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccn3cc[nH+]c3c2)c(Br)c1 ZINC001129593545 1135118013 /nfs/dbraw/zinc/11/80/13/1135118013.db2.gz APKJNCHKFIDTPX-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)nc1C(F)(F)F ZINC001129593609 1135118027 /nfs/dbraw/zinc/11/80/27/1135118027.db2.gz CYSFQGJNUNQMQT-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775591200 1135129500 /nfs/dbraw/zinc/12/95/00/1135129500.db2.gz LNMCFCANDKIEGZ-HXUWFJFHSA-N 1 2 348.450 3.672 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC000775591200 1135129505 /nfs/dbraw/zinc/12/95/05/1135129505.db2.gz LNMCFCANDKIEGZ-HXUWFJFHSA-N 1 2 348.450 3.672 20 0 EHADLO [NH2+]=C(Nc1ccc2c(c1)CCO2)c1ccc(Br)cc1F ZINC001170461610 1135166093 /nfs/dbraw/zinc/16/60/93/1135166093.db2.gz VYBZALVBVJIDTC-UHFFFAOYSA-N 1 2 335.176 3.961 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc(C)cc1F ZINC001129857150 1135172384 /nfs/dbraw/zinc/17/23/84/1135172384.db2.gz JTTWTOARMIPXLN-UHFFFAOYSA-N 1 2 347.340 3.733 20 0 EHADLO CCCCCOC(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001193748019 1135181976 /nfs/dbraw/zinc/18/19/76/1135181976.db2.gz PYLMVSMYVHTKHE-UHFFFAOYSA-N 1 2 332.404 3.577 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001193795528 1135185447 /nfs/dbraw/zinc/18/54/47/1135185447.db2.gz ABLZDTMGHUDSMN-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC001193795528 1135185449 /nfs/dbraw/zinc/18/54/49/1135185449.db2.gz ABLZDTMGHUDSMN-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001193966398 1135207779 /nfs/dbraw/zinc/20/77/79/1135207779.db2.gz VPBNDNSPHUOXDN-CQSZACIVSA-N 1 2 332.435 3.755 20 0 EHADLO O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)c1cccc2[nH+]ccn21 ZINC001130035753 1135223820 /nfs/dbraw/zinc/22/38/20/1135223820.db2.gz GDVBTCHKVGVNDH-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)OCCc1ccccc1 ZINC001194076984 1135225643 /nfs/dbraw/zinc/22/56/43/1135225643.db2.gz MLRFEVZUZMWJDC-IBGZPJMESA-N 1 2 335.407 3.593 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(F)c(Br)c2)cc(C)[nH+]1 ZINC001130046542 1135227318 /nfs/dbraw/zinc/22/73/18/1135227318.db2.gz UWNCOLZLSWFRRW-UHFFFAOYSA-N 1 2 337.192 3.530 20 0 EHADLO O=C(c1ccc(C2CC2)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001194172928 1135237117 /nfs/dbraw/zinc/23/71/17/1135237117.db2.gz VKTXGKZFHGIEFQ-KRWDZBQOSA-N 1 2 334.410 3.510 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1Cl)Oc1ccccc1 ZINC001194274329 1135247612 /nfs/dbraw/zinc/24/76/12/1135247612.db2.gz DPHMWBRPNXMYPQ-UHFFFAOYSA-N 1 2 341.798 3.873 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194385313 1135262751 /nfs/dbraw/zinc/26/27/51/1135262751.db2.gz MMGQYWJXJZGUPK-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OCC(F)(F)F)CC1 ZINC001194390204 1135263517 /nfs/dbraw/zinc/26/35/17/1135263517.db2.gz HKYBHTBEIRKPPA-AWEZNQCLSA-N 1 2 348.340 3.593 20 0 EHADLO Cc1cc(C)c(C(=O)[C@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC000805614099 1135297945 /nfs/dbraw/zinc/29/79/45/1135297945.db2.gz AGLOWZWUAAXQPN-INIZCTEOSA-N 1 2 331.456 3.601 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC1CC1 ZINC000805724523 1135321353 /nfs/dbraw/zinc/32/13/53/1135321353.db2.gz MHXCDLNPAPLRIN-UHFFFAOYSA-N 1 2 334.375 3.771 20 0 EHADLO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781509 1135326123 /nfs/dbraw/zinc/32/61/23/1135326123.db2.gz SHJIUEFGVLXAPV-SJORKVTESA-N 1 2 345.418 3.737 20 0 EHADLO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781509 1135326132 /nfs/dbraw/zinc/32/61/32/1135326132.db2.gz SHJIUEFGVLXAPV-SJORKVTESA-N 1 2 345.418 3.737 20 0 EHADLO O[C@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)cc1F ZINC000805841806 1135334036 /nfs/dbraw/zinc/33/40/36/1135334036.db2.gz UZULGVUPPZZGKY-HXUWFJFHSA-N 1 2 342.389 3.859 20 0 EHADLO O[C@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)cc1F ZINC000805841806 1135334041 /nfs/dbraw/zinc/33/40/41/1135334041.db2.gz UZULGVUPPZZGKY-HXUWFJFHSA-N 1 2 342.389 3.859 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000805826813 1135336900 /nfs/dbraw/zinc/33/69/00/1135336900.db2.gz KNIUTAWUWWLTRZ-GOSISDBHSA-N 1 2 349.450 3.634 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000805826813 1135336908 /nfs/dbraw/zinc/33/69/08/1135336908.db2.gz KNIUTAWUWWLTRZ-GOSISDBHSA-N 1 2 349.450 3.634 20 0 EHADLO COc1cc(C)c(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1C ZINC001194906894 1135339504 /nfs/dbraw/zinc/33/95/04/1135339504.db2.gz JQSXASUGYBCPQG-UHFFFAOYSA-N 1 2 335.407 3.965 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCCc2ccc3[nH]ccc3c2)c1 ZINC001194916874 1135339939 /nfs/dbraw/zinc/33/99/39/1135339939.db2.gz GLWABTXPPDJDLQ-UHFFFAOYSA-N 1 2 344.418 3.541 20 0 EHADLO C[C@@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1cc(F)cc(F)c1 ZINC001194918402 1135340521 /nfs/dbraw/zinc/34/05/21/1135340521.db2.gz VFFUVHJFBKNILB-GFCCVEGCSA-N 1 2 341.361 3.856 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc2ccccc2[nH]1 ZINC000775634994 1135364563 /nfs/dbraw/zinc/36/45/63/1135364563.db2.gz XHPXLUSXKKLHKB-GFCCVEGCSA-N 1 2 335.386 3.943 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc2ccccc2[nH]1 ZINC000775634994 1135364571 /nfs/dbraw/zinc/36/45/71/1135364571.db2.gz XHPXLUSXKKLHKB-GFCCVEGCSA-N 1 2 335.386 3.943 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000806179595 1135412491 /nfs/dbraw/zinc/41/24/91/1135412491.db2.gz FOWCMYPYYFELQA-SUMWQHHRSA-N 1 2 335.398 3.778 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829902822 1135472811 /nfs/dbraw/zinc/47/28/11/1135472811.db2.gz RLIFAQCGNDJGSG-ABAIWWIYSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829902822 1135472813 /nfs/dbraw/zinc/47/28/13/1135472813.db2.gz RLIFAQCGNDJGSG-ABAIWWIYSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@@H](Cc1nc([C@H]2CCSc3ccccc32)no1)n1cc[nH+]c1 ZINC000867144327 1135495502 /nfs/dbraw/zinc/49/55/02/1135495502.db2.gz VHPLZGATCOVGAH-JSGCOSHPSA-N 1 2 326.425 3.698 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CC[C@H](SC)C1)Cc1ccccc1Cl ZINC000806944614 1135507693 /nfs/dbraw/zinc/50/76/93/1135507693.db2.gz IIPAARBFRYMRHL-CABCVRRESA-N 1 2 340.920 3.562 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CC[C@H](SC)C1)Cc1ccccc1Cl ZINC000806944614 1135507698 /nfs/dbraw/zinc/50/76/98/1135507698.db2.gz IIPAARBFRYMRHL-CABCVRRESA-N 1 2 340.920 3.562 20 0 EHADLO CN1c2ccccc2C[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)CC1=O ZINC001196208468 1135532115 /nfs/dbraw/zinc/53/21/15/1135532115.db2.gz PRVZHYAAHBXIGN-SFHVURJKSA-N 1 2 342.483 3.737 20 0 EHADLO CN1c2ccccc2C[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)CC1=O ZINC001196208468 1135532121 /nfs/dbraw/zinc/53/21/21/1135532121.db2.gz PRVZHYAAHBXIGN-SFHVURJKSA-N 1 2 342.483 3.737 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000102388878 1135538841 /nfs/dbraw/zinc/53/88/41/1135538841.db2.gz LUFOKHDBXQIUDR-INIZCTEOSA-N 1 2 332.473 3.546 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000102388878 1135538845 /nfs/dbraw/zinc/53/88/45/1135538845.db2.gz LUFOKHDBXQIUDR-INIZCTEOSA-N 1 2 332.473 3.546 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)nc1 ZINC001196572831 1135583797 /nfs/dbraw/zinc/58/37/97/1135583797.db2.gz BKZNGQUUKXUNFX-CQSZACIVSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C2)nc1 ZINC001196572831 1135583801 /nfs/dbraw/zinc/58/38/01/1135583801.db2.gz BKZNGQUUKXUNFX-CQSZACIVSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3nccc(Cl)c3Cl)C2)nc1 ZINC001196573232 1135584285 /nfs/dbraw/zinc/58/42/85/1135584285.db2.gz GHUUSCXJGCUNKO-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3nccc(Cl)c3Cl)C2)nc1 ZINC001196573232 1135584288 /nfs/dbraw/zinc/58/42/88/1135584288.db2.gz GHUUSCXJGCUNKO-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000102607601 1135602978 /nfs/dbraw/zinc/60/29/78/1135602978.db2.gz VXVLIQYHHFFTKE-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808165939 1135620507 /nfs/dbraw/zinc/62/05/07/1135620507.db2.gz HNPRIURUOVCYKY-LJQANCHMSA-N 1 2 349.434 3.827 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808165939 1135620508 /nfs/dbraw/zinc/62/05/08/1135620508.db2.gz HNPRIURUOVCYKY-LJQANCHMSA-N 1 2 349.434 3.827 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808135894 1135621157 /nfs/dbraw/zinc/62/11/57/1135621157.db2.gz WOUNTJODRNRQAB-UHFFFAOYSA-N 1 2 329.831 3.672 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808135894 1135621159 /nfs/dbraw/zinc/62/11/59/1135621159.db2.gz WOUNTJODRNRQAB-UHFFFAOYSA-N 1 2 329.831 3.672 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC000808169122 1135629534 /nfs/dbraw/zinc/62/95/34/1135629534.db2.gz SVCRYXIADSPSAG-OAQYLSRUSA-N 1 2 342.483 3.781 20 0 EHADLO Cc1cnc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)s1 ZINC001197096456 1135645354 /nfs/dbraw/zinc/64/53/54/1135645354.db2.gz XJWQWFRGHUCKKX-UHFFFAOYSA-N 1 2 339.505 3.673 20 0 EHADLO Cc1cnc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)s1 ZINC001197096456 1135645359 /nfs/dbraw/zinc/64/53/59/1135645359.db2.gz XJWQWFRGHUCKKX-UHFFFAOYSA-N 1 2 339.505 3.673 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCCc2cc(Cl)ccc21 ZINC001131272280 1135655173 /nfs/dbraw/zinc/65/51/73/1135655173.db2.gz AOWFMSUMHFMENV-UHFFFAOYSA-N 1 2 325.799 3.971 20 0 EHADLO CCN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C1C[NH+](C)C1 ZINC001197192112 1135657603 /nfs/dbraw/zinc/65/76/03/1135657603.db2.gz IPCSVASPWUOYKD-UHFFFAOYSA-N 1 2 345.270 3.557 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)Cc2cccnc2)cc1 ZINC001197458673 1135696376 /nfs/dbraw/zinc/69/63/76/1135696376.db2.gz UPLIBKZFELGGGE-UHFFFAOYSA-N 1 2 347.484 3.650 20 0 EHADLO CCCC1(CCC)CCC[N@@H+]1CC1=NS(=O)(=O)c2ccccc21 ZINC001197514710 1135697454 /nfs/dbraw/zinc/69/74/54/1135697454.db2.gz QMJRNLDSWYFHAN-UHFFFAOYSA-N 1 2 334.485 3.613 20 0 EHADLO CCCC1(CCC)CCC[N@H+]1CC1=NS(=O)(=O)c2ccccc21 ZINC001197514710 1135697457 /nfs/dbraw/zinc/69/74/57/1135697457.db2.gz QMJRNLDSWYFHAN-UHFFFAOYSA-N 1 2 334.485 3.613 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2Cc2cnc(-c3ccccc3)nc2)[nH+]c1C ZINC001197710256 1135728643 /nfs/dbraw/zinc/72/86/43/1135728643.db2.gz GPODAFGHXBTZDI-GOSISDBHSA-N 1 2 333.439 3.821 20 0 EHADLO CC(C)c1scnc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000808914235 1135760470 /nfs/dbraw/zinc/76/04/70/1135760470.db2.gz ZMHJOUIDYNEXGE-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Cl)n1)c1ccc(-n2cccn2)c(F)c1 ZINC001170573079 1135795976 /nfs/dbraw/zinc/79/59/76/1135795976.db2.gz QRZJIFGTOWBLBZ-JTQLQIEISA-N 1 2 336.823 3.972 20 0 EHADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318103 1135800367 /nfs/dbraw/zinc/80/03/67/1135800367.db2.gz LVNPLSNTRNVYPL-GWCFXTLKSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)O1 ZINC001198318103 1135800373 /nfs/dbraw/zinc/80/03/73/1135800373.db2.gz LVNPLSNTRNVYPL-GWCFXTLKSA-N 1 2 328.225 3.514 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC001198364075 1135805700 /nfs/dbraw/zinc/80/57/00/1135805700.db2.gz WYJPQOCNGPLRSJ-UHFFFAOYSA-N 1 2 333.863 3.858 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC001198364075 1135805703 /nfs/dbraw/zinc/80/57/03/1135805703.db2.gz WYJPQOCNGPLRSJ-UHFFFAOYSA-N 1 2 333.863 3.858 20 0 EHADLO C[C@H](Oc1ccccc1NC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC000809315858 1135819091 /nfs/dbraw/zinc/81/90/91/1135819091.db2.gz ICTLLDVLYLQTBV-NSHDSACASA-N 1 2 349.312 3.916 20 0 EHADLO CC(C)(C)c1ccc(NC(=S)NCc2c[nH+]cn2CCF)cc1 ZINC001198502094 1135824191 /nfs/dbraw/zinc/82/41/91/1135824191.db2.gz KXYRCPIDGGSJTJ-UHFFFAOYSA-N 1 2 334.464 3.637 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538418 1135848867 /nfs/dbraw/zinc/84/88/67/1135848867.db2.gz FMBQUQYSTOLFDF-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538418 1135848871 /nfs/dbraw/zinc/84/88/71/1135848871.db2.gz FMBQUQYSTOLFDF-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO COCc1cnc(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)s1 ZINC000809702143 1135870785 /nfs/dbraw/zinc/87/07/85/1135870785.db2.gz CNVFSNIITVEWGW-LJQANCHMSA-N 1 2 346.496 3.544 20 0 EHADLO CCCn1cc(CNC[C@@H](c2ccccc2Cl)[NH+](CC)CC)nn1 ZINC001199000832 1135873997 /nfs/dbraw/zinc/87/39/97/1135873997.db2.gz KLVURBVQNFRGQG-SFHVURJKSA-N 1 2 349.910 3.514 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)[C@@H](C)CO ZINC000809742536 1135883942 /nfs/dbraw/zinc/88/39/42/1135883942.db2.gz CIKIBRYZKDHJNI-AWEZNQCLSA-N 1 2 335.879 3.521 20 0 EHADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)[C@@H](C)CO ZINC000809742536 1135883944 /nfs/dbraw/zinc/88/39/44/1135883944.db2.gz CIKIBRYZKDHJNI-AWEZNQCLSA-N 1 2 335.879 3.521 20 0 EHADLO Cc1c(Cl)cc(NC(=O)c2c[nH+]ccc2N(C)C)c(O)c1Cl ZINC001199349407 1135897221 /nfs/dbraw/zinc/89/72/21/1135897221.db2.gz JWAJYORVVILSLC-UHFFFAOYSA-N 1 2 340.210 3.721 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccc(Cl)cc1 ZINC000810522056 1135969004 /nfs/dbraw/zinc/96/90/04/1135969004.db2.gz PYJRDGGDOZKLAX-UHFFFAOYSA-N 1 2 340.810 3.871 20 0 EHADLO FCCn1c[nH+]cc1CNC(=S)Nc1cc(Cl)ccc1Cl ZINC001201093070 1135982571 /nfs/dbraw/zinc/98/25/71/1135982571.db2.gz FJCYXZSGGWNQSS-UHFFFAOYSA-N 1 2 347.246 3.646 20 0 EHADLO CCc1ccccc1NC(=S)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001201156740 1135990007 /nfs/dbraw/zinc/99/00/07/1135990007.db2.gz XRFDSVUFHMKXGQ-MRXNPFEDSA-N 1 2 340.496 3.599 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000810692874 1135997613 /nfs/dbraw/zinc/99/76/13/1135997613.db2.gz RQRLHFMFAVVDKG-NLWGTHIKSA-N 1 2 338.451 3.986 20 0 EHADLO CC(C)(C)OC(=O)n1ncc2ccc(Nc3ccc(N)[nH+]c3)cc21 ZINC001201285826 1136001064 /nfs/dbraw/zinc/00/10/64/1136001064.db2.gz QECIEELMPHVCJL-UHFFFAOYSA-N 1 2 325.372 3.540 20 0 EHADLO COc1cccc(Nc2ccc(N)[nH+]c2)c1NC(=O)OC(C)(C)C ZINC001201292379 1136001741 /nfs/dbraw/zinc/00/17/41/1136001741.db2.gz WVBGCPQBPSRQJM-UHFFFAOYSA-N 1 2 330.388 3.763 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001201451675 1136026766 /nfs/dbraw/zinc/02/67/66/1136026766.db2.gz VUCKWDNDRCUMGD-VXFMDUEMSA-N 1 2 336.273 3.923 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001201451675 1136026770 /nfs/dbraw/zinc/02/67/70/1136026770.db2.gz VUCKWDNDRCUMGD-VXFMDUEMSA-N 1 2 336.273 3.923 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc2nccnc21)c1cccc(Cl)c1 ZINC001132558601 1136036026 /nfs/dbraw/zinc/03/60/26/1136036026.db2.gz UVPZPSIWEYHCNA-QGZVFWFLSA-N 1 2 340.814 3.525 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC001201955700 1136078313 /nfs/dbraw/zinc/07/83/13/1136078313.db2.gz XNNLIPQIKJHCQA-OAHLLOKOSA-N 1 2 327.403 3.736 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCc2cc(F)ccc21 ZINC001132815040 1136087805 /nfs/dbraw/zinc/08/78/05/1136087805.db2.gz GINVGPWTKUDBIG-PMACEKPBSA-N 1 2 349.409 3.610 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001202081892 1136091451 /nfs/dbraw/zinc/09/14/51/1136091451.db2.gz HVIJWJXYSNTLGO-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1ccc(Cl)cc1Cl ZINC001202088298 1136092916 /nfs/dbraw/zinc/09/29/16/1136092916.db2.gz DEJBABPGEKGSAB-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000776251088 1136101933 /nfs/dbraw/zinc/10/19/33/1136101933.db2.gz POIQNNRZJAZMFN-OAHLLOKOSA-N 1 2 327.380 3.602 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1ccccc1C(F)(F)F ZINC001202172074 1136105203 /nfs/dbraw/zinc/10/52/03/1136105203.db2.gz PDOUNGZPQRWQHZ-UHFFFAOYSA-N 1 2 338.333 3.949 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC001202267633 1136116472 /nfs/dbraw/zinc/11/64/72/1136116472.db2.gz QRPFFOBDPQRDQW-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC001202267633 1136116474 /nfs/dbraw/zinc/11/64/74/1136116474.db2.gz QRPFFOBDPQRDQW-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO COc1cc(C)ccc1CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001202234146 1136118112 /nfs/dbraw/zinc/11/81/12/1136118112.db2.gz RJRDWKAHRZWHOJ-IYBDPMFKSA-N 1 2 341.455 3.624 20 0 EHADLO Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2F)c1 ZINC001202320346 1136129053 /nfs/dbraw/zinc/12/90/53/1136129053.db2.gz FIDMHMSLHFRCGF-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811732641 1136132146 /nfs/dbraw/zinc/13/21/46/1136132146.db2.gz AKWLFVSIVKDAQN-QGZVFWFLSA-N 1 2 328.481 3.938 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811732641 1136132148 /nfs/dbraw/zinc/13/21/48/1136132148.db2.gz AKWLFVSIVKDAQN-QGZVFWFLSA-N 1 2 328.481 3.938 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)CC3CCCC3)c(=O)cc2C)cc1 ZINC000811740537 1136132909 /nfs/dbraw/zinc/13/29/09/1136132909.db2.gz WEPYOBWRXIRZOA-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)CC3CCCC3)c(=O)cc2C)cc1 ZINC000811740537 1136132913 /nfs/dbraw/zinc/13/29/13/1136132913.db2.gz WEPYOBWRXIRZOA-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777409 1136134334 /nfs/dbraw/zinc/13/43/34/1136134334.db2.gz FDHYPNNWNUWOGV-RISCZKNCSA-N 1 2 328.790 3.548 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC000811777409 1136134337 /nfs/dbraw/zinc/13/43/37/1136134337.db2.gz FDHYPNNWNUWOGV-RISCZKNCSA-N 1 2 328.790 3.548 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811750789 1136135353 /nfs/dbraw/zinc/13/53/53/1136135353.db2.gz FEAUMDYMFPQGTD-WMZOPIPTSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3C[C@@H](C)CCC[C@@H]3C)c(=O)cc2C)cc1 ZINC000811750789 1136135354 /nfs/dbraw/zinc/13/53/54/1136135354.db2.gz FEAUMDYMFPQGTD-WMZOPIPTSA-N 1 2 339.483 3.995 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751899 1136136055 /nfs/dbraw/zinc/13/60/55/1136136055.db2.gz IRISOZZOSGDYAI-MAUKXSAKSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751899 1136136056 /nfs/dbraw/zinc/13/60/56/1136136056.db2.gz IRISOZZOSGDYAI-MAUKXSAKSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(NC(=O)Nc2ccccc2OC(C)C)c(N(C)C)[nH+]1 ZINC001202395392 1136141770 /nfs/dbraw/zinc/14/17/70/1136141770.db2.gz IJYQPWLTVOWLIT-UHFFFAOYSA-N 1 2 328.416 3.887 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1F ZINC001133033106 1136146316 /nfs/dbraw/zinc/14/63/16/1136146316.db2.gz QFSWALYCQMAGAI-BEFAXECRSA-N 1 2 337.398 3.683 20 0 EHADLO Cc1ccc(CCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC001133033117 1136146449 /nfs/dbraw/zinc/14/64/49/1136146449.db2.gz QOTVWXVSCQDKOZ-OAQYLSRUSA-N 1 2 347.462 3.990 20 0 EHADLO O=C(Cc1ccc(Cl)s1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133032883 1136146676 /nfs/dbraw/zinc/14/66/76/1136146676.db2.gz LJHDOMOENAXRSU-HNNXBMFYSA-N 1 2 345.855 3.698 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000338914816 1136160675 /nfs/dbraw/zinc/16/06/75/1136160675.db2.gz CRVMOBZRRNZLIS-INIZCTEOSA-N 1 2 329.465 3.686 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000338914816 1136160677 /nfs/dbraw/zinc/16/06/77/1136160677.db2.gz CRVMOBZRRNZLIS-INIZCTEOSA-N 1 2 329.465 3.686 20 0 EHADLO CCOC(=O)C1([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CCCCC1 ZINC001170665731 1136180357 /nfs/dbraw/zinc/18/03/57/1136180357.db2.gz CFIZFQIKVJDGSH-HNNXBMFYSA-N 1 2 337.410 3.678 20 0 EHADLO C[C@H]1CC[C@H](C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001133454101 1136252815 /nfs/dbraw/zinc/25/28/15/1136252815.db2.gz VSTZEIPVBNDZGJ-HKUYNNGSSA-N 1 2 337.467 3.641 20 0 EHADLO C[C@H]([NH2+][C@H]1CSCc2ccc(Br)cc21)c1ncc[nH]1 ZINC000850530492 1136279995 /nfs/dbraw/zinc/27/99/95/1136279995.db2.gz ZDJYRRGOXASYOI-ZANVPECISA-N 1 2 338.274 3.811 20 0 EHADLO COc1ccnc([C@@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000925486987 1136310027 /nfs/dbraw/zinc/31/00/27/1136310027.db2.gz VEISWZKGPUDFCE-SNVBAGLBSA-N 1 2 326.318 3.682 20 0 EHADLO CC(=CC(=O)Nc1c(C)c[nH+]cc1C)c1ccccc1OC(F)F ZINC001133681967 1136311844 /nfs/dbraw/zinc/31/18/44/1136311844.db2.gz DMAPTQVIPSRNQR-DHZHZOJOSA-N 1 2 332.350 3.764 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn(C)nc3C3CC3)c2)[nH+]c1C ZINC000813420810 1136334807 /nfs/dbraw/zinc/33/48/07/1136334807.db2.gz NUUSGRHDYIWJHF-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO O=C(CCc1ccccc1F)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398208 1136376338 /nfs/dbraw/zinc/37/63/38/1136376338.db2.gz PZWSFJHSSGVOOR-UHFFFAOYSA-N 1 2 342.414 3.613 20 0 EHADLO CC[C@@H](OC1CCCC1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399322 1136376678 /nfs/dbraw/zinc/37/66/78/1136376678.db2.gz QPANRHJEJIGEDE-GOSISDBHSA-N 1 2 346.471 3.579 20 0 EHADLO CCc1oc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC000338940195 1136394751 /nfs/dbraw/zinc/39/47/51/1136394751.db2.gz UPHBQDNXVCGPEG-UHFFFAOYSA-N 1 2 341.329 3.678 20 0 EHADLO CCc1oc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC000338940195 1136394754 /nfs/dbraw/zinc/39/47/54/1136394754.db2.gz UPHBQDNXVCGPEG-UHFFFAOYSA-N 1 2 341.329 3.678 20 0 EHADLO O=C(O[C@@H]1CCc2ccc(F)cc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000747897637 1136402383 /nfs/dbraw/zinc/40/23/83/1136402383.db2.gz QYPOCERSKOHDNP-LJQANCHMSA-N 1 2 336.366 3.915 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747991 1136405187 /nfs/dbraw/zinc/40/51/87/1136405187.db2.gz MJVOQFNOSREEDT-ZWKOTPCHSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000851747991 1136405190 /nfs/dbraw/zinc/40/51/90/1136405190.db2.gz MJVOQFNOSREEDT-ZWKOTPCHSA-N 1 2 325.399 3.543 20 0 EHADLO C[N@H+](Cc1nnc(C(F)(F)F)s1)[C@H]1CCc2ccccc2C1 ZINC000851773109 1136406427 /nfs/dbraw/zinc/40/64/27/1136406427.db2.gz IYBAUIDYPCPLRT-LBPRGKRZSA-N 1 2 327.375 3.546 20 0 EHADLO C[N@@H+](Cc1nnc(C(F)(F)F)s1)[C@H]1CCc2ccccc2C1 ZINC000851773109 1136406429 /nfs/dbraw/zinc/40/64/29/1136406429.db2.gz IYBAUIDYPCPLRT-LBPRGKRZSA-N 1 2 327.375 3.546 20 0 EHADLO C[N@H+](Cc1nnc(C(F)(F)F)s1)[C@@H]1CCc2ccccc2C1 ZINC000851773108 1136406505 /nfs/dbraw/zinc/40/65/05/1136406505.db2.gz IYBAUIDYPCPLRT-GFCCVEGCSA-N 1 2 327.375 3.546 20 0 EHADLO C[N@@H+](Cc1nnc(C(F)(F)F)s1)[C@@H]1CCc2ccccc2C1 ZINC000851773108 1136406507 /nfs/dbraw/zinc/40/65/07/1136406507.db2.gz IYBAUIDYPCPLRT-GFCCVEGCSA-N 1 2 327.375 3.546 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001137050216 1136419248 /nfs/dbraw/zinc/41/92/48/1136419248.db2.gz VTEGEUSRSHLUGW-HNNXBMFYSA-N 1 2 338.430 3.581 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137050216 1136419251 /nfs/dbraw/zinc/41/92/51/1136419251.db2.gz VTEGEUSRSHLUGW-HNNXBMFYSA-N 1 2 338.430 3.581 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(N(C)C)sc3=S)C2)cc1 ZINC000814225645 1136425707 /nfs/dbraw/zinc/42/57/07/1136425707.db2.gz URFRJBIWYNJFEF-OAHLLOKOSA-N 1 2 348.541 3.749 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cn3nc(N(C)C)sc3=S)C2)cc1 ZINC000814225645 1136425709 /nfs/dbraw/zinc/42/57/09/1136425709.db2.gz URFRJBIWYNJFEF-OAHLLOKOSA-N 1 2 348.541 3.749 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)[C@H](C)CN1Cc1ccccc1 ZINC001137050270 1136430989 /nfs/dbraw/zinc/43/09/89/1136430989.db2.gz XZDDLNHVSKWZSC-IAGOWNOFSA-N 1 2 334.467 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)[C@H](C)CN1Cc1ccccc1 ZINC001137050270 1136430991 /nfs/dbraw/zinc/43/09/91/1136430991.db2.gz XZDDLNHVSKWZSC-IAGOWNOFSA-N 1 2 334.467 3.658 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)c1 ZINC000852323397 1136448421 /nfs/dbraw/zinc/44/84/21/1136448421.db2.gz HVPCZTHFLXHUSJ-AUUYWEPGSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)c1 ZINC000852323397 1136448422 /nfs/dbraw/zinc/44/84/22/1136448422.db2.gz HVPCZTHFLXHUSJ-AUUYWEPGSA-N 1 2 327.428 3.607 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000852733321 1136482393 /nfs/dbraw/zinc/48/23/93/1136482393.db2.gz YNOJKNUUKNLGMC-IRXDYDNUSA-N 1 2 337.851 3.523 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](CC(F)(F)F)O1 ZINC000852744100 1136483130 /nfs/dbraw/zinc/48/31/30/1136483130.db2.gz RXMKNZRHSJRRLF-KWCYVHTRSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](CC(F)(F)F)O1 ZINC000852744100 1136483133 /nfs/dbraw/zinc/48/31/33/1136483133.db2.gz RXMKNZRHSJRRLF-KWCYVHTRSA-N 1 2 343.345 3.508 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000814640465 1136487917 /nfs/dbraw/zinc/48/79/17/1136487917.db2.gz IAJLIFIUYJVNQT-MRXNPFEDSA-N 1 2 343.858 3.725 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000814640465 1136487919 /nfs/dbraw/zinc/48/79/19/1136487919.db2.gz IAJLIFIUYJVNQT-MRXNPFEDSA-N 1 2 343.858 3.725 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3nccn3C(C)C)[C@H](C)C2)cc1C ZINC000747967588 1136488244 /nfs/dbraw/zinc/48/82/44/1136488244.db2.gz GWMFLJDTFFIXET-GOSISDBHSA-N 1 2 326.488 3.792 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3nccn3C(C)C)[C@H](C)C2)cc1C ZINC000747967588 1136488248 /nfs/dbraw/zinc/48/82/48/1136488248.db2.gz GWMFLJDTFFIXET-GOSISDBHSA-N 1 2 326.488 3.792 20 0 EHADLO CSCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000814716690 1136497677 /nfs/dbraw/zinc/49/76/77/1136497677.db2.gz PPBSLYCUDIAGDO-JTQLQIEISA-N 1 2 342.921 3.956 20 0 EHADLO FC(F)(F)c1cc(Cl)c(NCCn2cc[nH+]c2)nc1Cl ZINC000853089951 1136507705 /nfs/dbraw/zinc/50/77/05/1136507705.db2.gz DSSIGFBKTSUVRY-UHFFFAOYSA-N 1 2 325.121 3.716 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1c(=O)sc3c1CCCC3)CCC2 ZINC000111172845 1136519010 /nfs/dbraw/zinc/51/90/10/1136519010.db2.gz BJNBDTBSNMNSCC-AWEZNQCLSA-N 1 2 349.525 3.520 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cn1c(=O)sc3c1CCCC3)CCC2 ZINC000111172845 1136519014 /nfs/dbraw/zinc/51/90/14/1136519014.db2.gz BJNBDTBSNMNSCC-AWEZNQCLSA-N 1 2 349.525 3.520 20 0 EHADLO Cc1ccc(C[N@H+](CC2CC2)Cn2ncc(Cl)c2C2CC2)cn1 ZINC000853518416 1136539846 /nfs/dbraw/zinc/53/98/46/1136539846.db2.gz OGGITUHCMXABGC-UHFFFAOYSA-N 1 2 330.863 3.987 20 0 EHADLO Cc1ccc(C[N@@H+](CC2CC2)Cn2ncc(Cl)c2C2CC2)cn1 ZINC000853518416 1136539850 /nfs/dbraw/zinc/53/98/50/1136539850.db2.gz OGGITUHCMXABGC-UHFFFAOYSA-N 1 2 330.863 3.987 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)[C@@H]3CCCCC[C@@H]32)cc1F ZINC000853563095 1136544755 /nfs/dbraw/zinc/54/47/55/1136544755.db2.gz KPYMAVBBMUBOER-NJAFHUGGSA-N 1 2 346.446 3.720 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)[C@@H]3CCCCC[C@@H]32)cc1F ZINC000853563095 1136544757 /nfs/dbraw/zinc/54/47/57/1136544757.db2.gz KPYMAVBBMUBOER-NJAFHUGGSA-N 1 2 346.446 3.720 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cn2cc(C)cnc2=S)cc1F ZINC000853563159 1136544861 /nfs/dbraw/zinc/54/48/61/1136544861.db2.gz MKAHJTNIHKOAIR-OAHLLOKOSA-N 1 2 333.432 3.863 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cn2cc(C)cnc2=S)cc1F ZINC000853563159 1136544864 /nfs/dbraw/zinc/54/48/64/1136544864.db2.gz MKAHJTNIHKOAIR-OAHLLOKOSA-N 1 2 333.432 3.863 20 0 EHADLO C[N@H+](C[C@H]1CC1(C)C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000853627039 1136550122 /nfs/dbraw/zinc/55/01/22/1136550122.db2.gz MMXFZUQZDSKZLL-CQSZACIVSA-N 1 2 343.500 3.746 20 0 EHADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000853627039 1136550125 /nfs/dbraw/zinc/55/01/25/1136550125.db2.gz MMXFZUQZDSKZLL-CQSZACIVSA-N 1 2 343.500 3.746 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853633779 1136550935 /nfs/dbraw/zinc/55/09/35/1136550935.db2.gz DMMWCODKTYTREB-ZFWWWQNUSA-N 1 2 329.473 3.615 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853633779 1136550937 /nfs/dbraw/zinc/55/09/37/1136550937.db2.gz DMMWCODKTYTREB-ZFWWWQNUSA-N 1 2 329.473 3.615 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccnc(Br)c2)C1 ZINC000815092144 1136555196 /nfs/dbraw/zinc/55/51/96/1136555196.db2.gz AOBRWKQZNTWGKK-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000815092144 1136555199 /nfs/dbraw/zinc/55/51/99/1136555199.db2.gz AOBRWKQZNTWGKK-WFASDCNBSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1ccc(N2CC[C@H]([N@@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000854043351 1136583134 /nfs/dbraw/zinc/58/31/34/1136583134.db2.gz IIJLBPISAXQDRO-OALUTQOASA-N 1 2 335.451 3.578 20 0 EHADLO Cc1ccc(N2CC[C@H]([N@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000854043351 1136583136 /nfs/dbraw/zinc/58/31/36/1136583136.db2.gz IIJLBPISAXQDRO-OALUTQOASA-N 1 2 335.451 3.578 20 0 EHADLO CCCCCCOc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1OC ZINC000747999495 1136601401 /nfs/dbraw/zinc/60/14/01/1136601401.db2.gz IXPLRYAJWFEQMH-UHFFFAOYSA-N 1 2 345.443 3.616 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)c2nnc[nH]2)cc1 ZINC000815553838 1136609722 /nfs/dbraw/zinc/60/97/22/1136609722.db2.gz LGXOGFDMVYYQCF-ITOSSNOYSA-N 1 2 340.446 3.839 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000854394494 1136612734 /nfs/dbraw/zinc/61/27/34/1136612734.db2.gz PBTMOLQISGFKQM-HOTGVXAUSA-N 1 2 331.847 3.838 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815649810 1136626389 /nfs/dbraw/zinc/62/63/89/1136626389.db2.gz ZOLODEQVDWHUKK-SNVBAGLBSA-N 1 2 325.330 3.972 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC001170804083 1136641680 /nfs/dbraw/zinc/64/16/80/1136641680.db2.gz LIXOAROYGGUHPN-CYBMUJFWSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC001170804083 1136641683 /nfs/dbraw/zinc/64/16/83/1136641683.db2.gz LIXOAROYGGUHPN-CYBMUJFWSA-N 1 2 331.243 3.704 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000112694740 1136647393 /nfs/dbraw/zinc/64/73/93/1136647393.db2.gz UUDDXNFFMKCSQP-IBGZPJMESA-N 1 2 327.472 3.827 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000112694740 1136647395 /nfs/dbraw/zinc/64/73/95/1136647395.db2.gz UUDDXNFFMKCSQP-IBGZPJMESA-N 1 2 327.472 3.827 20 0 EHADLO O=C(Cc1c[nH]c2cccc(Cl)c12)OCc1cccc2[nH+]ccn21 ZINC000815988140 1136660332 /nfs/dbraw/zinc/66/03/32/1136660332.db2.gz AZONJZUAJJNPEV-UHFFFAOYSA-N 1 2 339.782 3.755 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1(CC)CC ZINC000776792504 1136666342 /nfs/dbraw/zinc/66/63/42/1136666342.db2.gz PWCRLIGAOIOXEJ-RBUKOAKNSA-N 1 2 332.488 3.919 20 0 EHADLO c1cc(Oc2ccccc2)oc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000780757787 1136685418 /nfs/dbraw/zinc/68/54/18/1136685418.db2.gz HPPNZHRBBJRTGW-KRWDZBQOSA-N 1 2 329.396 3.799 20 0 EHADLO c1cc(Oc2ccccc2)oc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000780757787 1136685422 /nfs/dbraw/zinc/68/54/22/1136685422.db2.gz HPPNZHRBBJRTGW-KRWDZBQOSA-N 1 2 329.396 3.799 20 0 EHADLO CCC[N@H+](CCc1cccc(F)c1)Cn1nc(C)n(CC)c1=S ZINC000113246717 1136688517 /nfs/dbraw/zinc/68/85/17/1136688517.db2.gz ZHAUQUXRVUEUDG-UHFFFAOYSA-N 1 2 336.480 3.794 20 0 EHADLO CCC[N@@H+](CCc1cccc(F)c1)Cn1nc(C)n(CC)c1=S ZINC000113246717 1136688519 /nfs/dbraw/zinc/68/85/19/1136688519.db2.gz ZHAUQUXRVUEUDG-UHFFFAOYSA-N 1 2 336.480 3.794 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000113246086 1136688620 /nfs/dbraw/zinc/68/86/20/1136688620.db2.gz NKQAWHXYZUHKLQ-IBGZPJMESA-N 1 2 347.462 3.678 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000113246086 1136688622 /nfs/dbraw/zinc/68/86/22/1136688622.db2.gz NKQAWHXYZUHKLQ-IBGZPJMESA-N 1 2 347.462 3.678 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1nc2ccccc2[nH]1 ZINC000776826354 1136718620 /nfs/dbraw/zinc/71/86/20/1136718620.db2.gz DNUKFRGENAGLEM-FZKQIMNGSA-N 1 2 347.422 3.728 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000816651021 1136745064 /nfs/dbraw/zinc/74/50/64/1136745064.db2.gz OZQGAJWWFNTQJH-UHFFFAOYSA-N 1 2 343.732 3.834 20 0 EHADLO Cc1cc(Cl)ccc1OC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135685530 1136751850 /nfs/dbraw/zinc/75/18/50/1136751850.db2.gz KRHOQARFZNGQCE-UHFFFAOYSA-N 1 2 328.755 3.759 20 0 EHADLO O=C(/C=C\C1CCCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135790312 1136772215 /nfs/dbraw/zinc/77/22/15/1136772215.db2.gz WZSZVKHRUWGWLJ-KTKRTIGZSA-N 1 2 332.513 3.919 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000265997303 1136777355 /nfs/dbraw/zinc/77/73/55/1136777355.db2.gz MGNCWKXYJBRYOK-KRWDZBQOSA-N 1 2 348.450 3.615 20 0 EHADLO Cc1ccc(F)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1Cl ZINC001138029383 1136780962 /nfs/dbraw/zinc/78/09/62/1136780962.db2.gz SBFAJHDDMPQUIJ-UHFFFAOYSA-N 1 2 334.822 3.815 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000856373251 1136781805 /nfs/dbraw/zinc/78/18/05/1136781805.db2.gz XJOXUFNFUIDRAI-UHFFFAOYSA-N 1 2 344.415 3.555 20 0 EHADLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000338995918 1136788080 /nfs/dbraw/zinc/78/80/80/1136788080.db2.gz DVZQQXYRZKVVNU-UHFFFAOYSA-N 1 2 347.400 3.531 20 0 EHADLO COc1ccc2oc([C@@H](C)NC(=O)c3cccc4[nH+]ccn43)c(C)c2c1 ZINC000776896131 1136805505 /nfs/dbraw/zinc/80/55/05/1136805505.db2.gz LEGIRUAVPLCNAY-CYBMUJFWSA-N 1 2 349.390 3.889 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000856746181 1136806409 /nfs/dbraw/zinc/80/64/09/1136806409.db2.gz JMWOHLWRYNFQEN-KAMYIIQDSA-N 1 2 332.494 3.557 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cn1 ZINC000856780512 1136810761 /nfs/dbraw/zinc/81/07/61/1136810761.db2.gz IOGQASXWIDYFDV-VIFPVBQESA-N 1 2 330.741 3.703 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nc1Cl)c1ccc(Br)cc1F ZINC000856788923 1136811413 /nfs/dbraw/zinc/81/14/13/1136811413.db2.gz XDUNBPDSTZXBIP-QMMMGPOBSA-N 1 2 346.631 3.826 20 0 EHADLO C[C@H]1COCCN1c1ccc([NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000817587757 1136826460 /nfs/dbraw/zinc/82/64/60/1136826460.db2.gz ZRLUJNFZBFYEOX-WMZOPIPTSA-N 1 2 337.467 3.666 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000857026637 1136833914 /nfs/dbraw/zinc/83/39/14/1136833914.db2.gz UJRXWZUAZQTCGB-WMLDXEAASA-N 1 2 335.469 3.618 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000857026637 1136833915 /nfs/dbraw/zinc/83/39/15/1136833915.db2.gz UJRXWZUAZQTCGB-WMLDXEAASA-N 1 2 335.469 3.618 20 0 EHADLO Cn1cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c(Cl)n1 ZINC000857040458 1136835366 /nfs/dbraw/zinc/83/53/66/1136835366.db2.gz ZEOFIWSPKVVBAC-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO CCCCCCOC(=O)CCC(=O)CNc1cc(C)cn2cc[nH+]c12 ZINC001170878839 1136839617 /nfs/dbraw/zinc/83/96/17/1136839617.db2.gz OOKSMKKHJYDXQA-UHFFFAOYSA-N 1 2 345.443 3.527 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000857211471 1136854210 /nfs/dbraw/zinc/85/42/10/1136854210.db2.gz VAVOECSGHUOIAI-IBGZPJMESA-N 1 2 347.524 3.961 20 0 EHADLO O=S(=O)(CC[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000857211471 1136854214 /nfs/dbraw/zinc/85/42/14/1136854214.db2.gz VAVOECSGHUOIAI-IBGZPJMESA-N 1 2 347.524 3.961 20 0 EHADLO CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1c1ccccc1 ZINC000776976286 1136908308 /nfs/dbraw/zinc/90/83/08/1136908308.db2.gz ZVVHRMICIOHERM-AEFFLSMTSA-N 1 2 333.435 3.990 20 0 EHADLO Cc1cccc2c(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)coc21 ZINC000819151313 1136914508 /nfs/dbraw/zinc/91/45/08/1136914508.db2.gz ANNWGXLNECLONB-INIZCTEOSA-N 1 2 325.412 3.782 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000339007909 1136916576 /nfs/dbraw/zinc/91/65/76/1136916576.db2.gz WQFKXDPAHQMPAL-ROUUACIJSA-N 1 2 341.455 3.778 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000339007909 1136916579 /nfs/dbraw/zinc/91/65/79/1136916579.db2.gz WQFKXDPAHQMPAL-ROUUACIJSA-N 1 2 341.455 3.778 20 0 EHADLO CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857990058 1136927949 /nfs/dbraw/zinc/92/79/49/1136927949.db2.gz MIWGKNCJDKVXQH-KRWDZBQOSA-N 1 2 341.455 3.601 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCNc3[nH+]cc(C)cc32)cc1 ZINC000857997501 1136928099 /nfs/dbraw/zinc/92/80/99/1136928099.db2.gz OTJGRIGARWMMLY-UHFFFAOYSA-N 1 2 339.439 3.570 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CCc1cccc(C(F)(F)F)c1)CCN2 ZINC000857999278 1136928225 /nfs/dbraw/zinc/92/82/25/1136928225.db2.gz WBSZOXXQDNFJIV-UHFFFAOYSA-N 1 2 349.356 3.800 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000858036809 1136934291 /nfs/dbraw/zinc/93/42/91/1136934291.db2.gz HOSVTXPFUWMCPA-AWEZNQCLSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000858036809 1136934293 /nfs/dbraw/zinc/93/42/93/1136934293.db2.gz HOSVTXPFUWMCPA-AWEZNQCLSA-N 1 2 341.436 3.760 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cs1 ZINC000858035837 1136934362 /nfs/dbraw/zinc/93/43/62/1136934362.db2.gz LNGABIYUFYHADQ-MRXNPFEDSA-N 1 2 331.485 3.842 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cs1 ZINC000858035837 1136934364 /nfs/dbraw/zinc/93/43/64/1136934364.db2.gz LNGABIYUFYHADQ-MRXNPFEDSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046219 1136934911 /nfs/dbraw/zinc/93/49/11/1136934911.db2.gz JOEKRPJPBHYSMH-MRXNPFEDSA-N 1 2 327.428 3.724 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000858046219 1136934914 /nfs/dbraw/zinc/93/49/14/1136934914.db2.gz JOEKRPJPBHYSMH-MRXNPFEDSA-N 1 2 327.428 3.724 20 0 EHADLO CSc1ccc(OC[C@H](O)CNc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000819408108 1136936740 /nfs/dbraw/zinc/93/67/40/1136936740.db2.gz LBTZSISVCXRSPM-MRXNPFEDSA-N 1 2 346.496 3.635 20 0 EHADLO S=c1oc2ccc(Cl)cc2n1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819895942 1136965358 /nfs/dbraw/zinc/96/53/58/1136965358.db2.gz VVRZVEBGNSMOHT-LBPRGKRZSA-N 1 2 349.847 3.503 20 0 EHADLO S=c1oc2ccc(Cl)cc2n1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819895942 1136965360 /nfs/dbraw/zinc/96/53/60/1136965360.db2.gz VVRZVEBGNSMOHT-LBPRGKRZSA-N 1 2 349.847 3.503 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000858409966 1136965387 /nfs/dbraw/zinc/96/53/87/1136965387.db2.gz RRRBPGFAGJZPOF-RKDXNWHRSA-N 1 2 343.328 3.578 20 0 EHADLO Cc1ccc(C(C)(C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)nc1 ZINC000858711023 1136987947 /nfs/dbraw/zinc/98/79/47/1136987947.db2.gz YWQSOTRVMWOWGC-UHFFFAOYSA-N 1 2 338.459 3.674 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000858728392 1136989075 /nfs/dbraw/zinc/98/90/75/1136989075.db2.gz XYABTQRPVVWKQE-MRXNPFEDSA-N 1 2 342.418 3.657 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728450 1136989289 /nfs/dbraw/zinc/98/92/89/1136989289.db2.gz YDVFLEQKINCVMF-GFCCVEGCSA-N 1 2 325.359 3.567 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)OCc1ccc(Cl)cc1 ZINC000858902534 1136996406 /nfs/dbraw/zinc/99/64/06/1136996406.db2.gz NRZMYBRKZQSPQA-UHFFFAOYSA-N 1 2 345.830 3.630 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(Cl)n1 ZINC000820503748 1136996732 /nfs/dbraw/zinc/99/67/32/1136996732.db2.gz NABGQUAFJFRBFI-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000820675837 1137000466 /nfs/dbraw/zinc/00/04/66/1137000466.db2.gz KDWKDJXKOVJALX-MLGOLLRUSA-N 1 2 327.428 3.595 20 0 EHADLO C[C@@H](C(=O)OCc1ccc(CF)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000777082719 1137001117 /nfs/dbraw/zinc/00/11/17/1137001117.db2.gz ONBJSWZSIYYRLA-HNNXBMFYSA-N 1 2 327.399 3.646 20 0 EHADLO C[C@@H](C(=O)OCc1ccc(CF)cc1)[N@H+]1CCc2ccccc2C1 ZINC000777082719 1137001119 /nfs/dbraw/zinc/00/11/19/1137001119.db2.gz ONBJSWZSIYYRLA-HNNXBMFYSA-N 1 2 327.399 3.646 20 0 EHADLO Cn1nc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000859059006 1137001625 /nfs/dbraw/zinc/00/16/25/1137001625.db2.gz LGJLLIIGLILXKH-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO Cn1nc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000859059006 1137001626 /nfs/dbraw/zinc/00/16/26/1137001626.db2.gz LGJLLIIGLILXKH-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)nc2c1 ZINC000859131150 1137004540 /nfs/dbraw/zinc/00/45/40/1137004540.db2.gz MCWZVPSNZWUYNG-ZDUSSCGKSA-N 1 2 347.484 3.704 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)nc2c1 ZINC000859131150 1137004541 /nfs/dbraw/zinc/00/45/41/1137004541.db2.gz MCWZVPSNZWUYNG-ZDUSSCGKSA-N 1 2 347.484 3.704 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)o1 ZINC000859500720 1137017455 /nfs/dbraw/zinc/01/74/55/1137017455.db2.gz OKHPCDQWKCWRCL-MLGOLLRUSA-N 1 2 340.345 3.822 20 0 EHADLO Clc1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)ccn1 ZINC000859830946 1137033542 /nfs/dbraw/zinc/03/35/42/1137033542.db2.gz IYMPRCIKHOSKAF-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000859938621 1137037837 /nfs/dbraw/zinc/03/78/37/1137037837.db2.gz KHSZVGRIQWJOAY-IBGZPJMESA-N 1 2 349.430 3.604 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000859938621 1137037838 /nfs/dbraw/zinc/03/78/38/1137037838.db2.gz KHSZVGRIQWJOAY-IBGZPJMESA-N 1 2 349.430 3.604 20 0 EHADLO CCC(CC)(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)SC ZINC001137051691 1137039926 /nfs/dbraw/zinc/03/99/26/1137039926.db2.gz AMMUAGXKXNZZDX-UHFFFAOYSA-N 1 2 345.512 3.512 20 0 EHADLO Clc1cccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000860011977 1137040714 /nfs/dbraw/zinc/04/07/14/1137040714.db2.gz BHEVKVDTJRGHMG-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)OC(C)(C)C ZINC000860095732 1137044062 /nfs/dbraw/zinc/04/40/62/1137044062.db2.gz SEJYMTGHAPDXHL-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)OC(C)(C)C ZINC000860095732 1137044064 /nfs/dbraw/zinc/04/40/64/1137044064.db2.gz SEJYMTGHAPDXHL-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO CN(C)c1cc(COC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000860149126 1137046591 /nfs/dbraw/zinc/04/65/91/1137046591.db2.gz GRISTYWOPWEKGV-SJORKVTESA-N 1 2 328.387 3.524 20 0 EHADLO CCC[C@@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccn1 ZINC000822701653 1137071075 /nfs/dbraw/zinc/07/10/75/1137071075.db2.gz DJCPBWJAZDPVSL-OAHLLOKOSA-N 1 2 346.500 3.902 20 0 EHADLO CCc1c2ccccc2oc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000822888771 1137077385 /nfs/dbraw/zinc/07/73/85/1137077385.db2.gz YOQYRPVKPDHEPH-UHFFFAOYSA-N 1 2 338.407 3.946 20 0 EHADLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC001137661846 1137086811 /nfs/dbraw/zinc/08/68/11/1137086811.db2.gz CLLXQNCDXJJYIM-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC001137661846 1137086813 /nfs/dbraw/zinc/08/68/13/1137086813.db2.gz CLLXQNCDXJJYIM-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO C[C@@H](CC(=O)OC[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000861009501 1137087417 /nfs/dbraw/zinc/08/74/17/1137087417.db2.gz HBGDPXZFKKOVEA-GXTWGEPZSA-N 1 2 326.318 3.724 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](OC)C2CCCCC2)n1 ZINC000823224111 1137091288 /nfs/dbraw/zinc/09/12/88/1137091288.db2.gz ISHVHMHPCOJQAO-OAHLLOKOSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1ccn([C@@H](C)CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)n1 ZINC000823353084 1137095946 /nfs/dbraw/zinc/09/59/46/1137095946.db2.gz KXYMSWUQVFLSQC-ZDUSSCGKSA-N 1 2 337.427 3.788 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823391014 1137097724 /nfs/dbraw/zinc/09/77/24/1137097724.db2.gz PINXHZKWKIATCL-UHFFFAOYSA-N 1 2 347.821 3.725 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(C[C@@H]2CCCCC2(C)C)n1 ZINC000823394273 1137097903 /nfs/dbraw/zinc/09/79/03/1137097903.db2.gz XUBVCQUXCUIHGF-STQMWFEESA-N 1 2 337.464 3.560 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3c3cc(C)on3)cn2)cc1 ZINC000823404032 1137098490 /nfs/dbraw/zinc/09/84/90/1137098490.db2.gz JQKVXXXVWPURCO-LJQANCHMSA-N 1 2 338.411 3.514 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3c3cc(C)on3)cn2)cc1 ZINC000823404032 1137098491 /nfs/dbraw/zinc/09/84/91/1137098491.db2.gz JQKVXXXVWPURCO-LJQANCHMSA-N 1 2 338.411 3.514 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000823399697 1137098507 /nfs/dbraw/zinc/09/85/07/1137098507.db2.gz OYZNHXPSVLQBDU-UHFFFAOYSA-N 1 2 335.455 3.685 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000823399697 1137098508 /nfs/dbraw/zinc/09/85/08/1137098508.db2.gz OYZNHXPSVLQBDU-UHFFFAOYSA-N 1 2 335.455 3.685 20 0 EHADLO Cc1cc([NH2+][C@@H]2CCc3ccc(O)cc3C2)ccc1N1CCOCC1 ZINC001171034148 1137115620 /nfs/dbraw/zinc/11/56/20/1137115620.db2.gz YGJDVYPRJAFWET-LJQANCHMSA-N 1 2 338.451 3.507 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000861655859 1137117347 /nfs/dbraw/zinc/11/73/47/1137117347.db2.gz KLCAPYYENSJZOA-MRXNPFEDSA-N 1 2 348.560 3.862 20 0 EHADLO CS[C@@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136793202 1137118711 /nfs/dbraw/zinc/11/87/11/1137118711.db2.gz YOZKAZBASWXDBN-HZPDHXFCSA-N 1 2 341.480 3.651 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Br ZINC001136849663 1137131243 /nfs/dbraw/zinc/13/12/43/1137131243.db2.gz UALNWFGDIAGVKI-BMIGLBTASA-N 1 2 346.215 3.728 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Br ZINC001136849663 1137131244 /nfs/dbraw/zinc/13/12/44/1137131244.db2.gz UALNWFGDIAGVKI-BMIGLBTASA-N 1 2 346.215 3.728 20 0 EHADLO Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c(Br)n1 ZINC000862212142 1137132505 /nfs/dbraw/zinc/13/25/05/1137132505.db2.gz QOMYZRXNLWZFIP-OAHLLOKOSA-N 1 2 349.276 3.695 20 0 EHADLO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c(Br)n1 ZINC000862212142 1137132506 /nfs/dbraw/zinc/13/25/06/1137132506.db2.gz QOMYZRXNLWZFIP-OAHLLOKOSA-N 1 2 349.276 3.695 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccnc(F)c2C)cc1 ZINC000862233874 1137133888 /nfs/dbraw/zinc/13/38/88/1137133888.db2.gz WHFGLHYKONDBRU-OAHLLOKOSA-N 1 2 343.446 3.530 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccnc(F)c2C)cc1 ZINC000862233874 1137133889 /nfs/dbraw/zinc/13/38/89/1137133889.db2.gz WHFGLHYKONDBRU-OAHLLOKOSA-N 1 2 343.446 3.530 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1Cl ZINC000862236589 1137133972 /nfs/dbraw/zinc/13/39/72/1137133972.db2.gz OUUDTDDMZIUZTC-CYBMUJFWSA-N 1 2 345.817 3.778 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)n1 ZINC000862247633 1137135006 /nfs/dbraw/zinc/13/50/06/1137135006.db2.gz KHOJCQIYQHEGCO-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)n1 ZINC000862247633 1137135007 /nfs/dbraw/zinc/13/50/07/1137135007.db2.gz KHOJCQIYQHEGCO-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO Cc1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)n1 ZINC000862250974 1137135351 /nfs/dbraw/zinc/13/53/51/1137135351.db2.gz SKLWXNKEKNARSF-HXUWFJFHSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1c[nH]c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)n1 ZINC000862250974 1137135352 /nfs/dbraw/zinc/13/53/52/1137135352.db2.gz SKLWXNKEKNARSF-HXUWFJFHSA-N 1 2 335.451 3.762 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000824395383 1137136970 /nfs/dbraw/zinc/13/69/70/1137136970.db2.gz FISKHAARNFKICA-QGZVFWFLSA-N 1 2 349.450 3.634 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC000824395383 1137136971 /nfs/dbraw/zinc/13/69/71/1137136971.db2.gz FISKHAARNFKICA-QGZVFWFLSA-N 1 2 349.450 3.634 20 0 EHADLO CC[N@H+](CCOC)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136894291 1137143878 /nfs/dbraw/zinc/14/38/78/1137143878.db2.gz PDSINIWZFCGLLF-UHFFFAOYSA-N 1 2 343.855 3.550 20 0 EHADLO CC[N@@H+](CCOC)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136894291 1137143879 /nfs/dbraw/zinc/14/38/79/1137143879.db2.gz PDSINIWZFCGLLF-UHFFFAOYSA-N 1 2 343.855 3.550 20 0 EHADLO CC(C)n1ncc2cc(C[NH+]3CC(Cc4ccco4)C3)c(Cl)nc21 ZINC000862485688 1137146766 /nfs/dbraw/zinc/14/67/66/1137146766.db2.gz CFKRXWGTFZEVAZ-UHFFFAOYSA-N 1 2 344.846 3.933 20 0 EHADLO CCc1nc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)co1 ZINC000825062145 1137164085 /nfs/dbraw/zinc/16/40/85/1137164085.db2.gz QJBVOUUDXCJZFL-ZDUSSCGKSA-N 1 2 339.208 3.916 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136987293 1137165071 /nfs/dbraw/zinc/16/50/71/1137165071.db2.gz RKFNKKJOGPOAPX-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136987293 1137165072 /nfs/dbraw/zinc/16/50/72/1137165072.db2.gz RKFNKKJOGPOAPX-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1 ZINC000266048662 1137165547 /nfs/dbraw/zinc/16/55/47/1137165547.db2.gz ZZEKIBFOUXUMGG-CQSZACIVSA-N 1 2 343.858 3.755 20 0 EHADLO CCSCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001137013486 1137171466 /nfs/dbraw/zinc/17/14/66/1137171466.db2.gz VWGSLWXAMPFITM-OAGGEKHMSA-N 1 2 335.517 3.700 20 0 EHADLO CCOCc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001137016518 1137172128 /nfs/dbraw/zinc/17/21/28/1137172128.db2.gz AXFZUTIOPXBXNU-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000863254213 1137177891 /nfs/dbraw/zinc/17/78/91/1137177891.db2.gz AGTQFNWCIPVKNK-IRXDYDNUSA-N 1 2 337.467 3.697 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341071 1137181577 /nfs/dbraw/zinc/18/15/77/1137181577.db2.gz PFYJJLUDJSENEZ-MBVDDHJVSA-N 1 2 331.485 3.711 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341071 1137181578 /nfs/dbraw/zinc/18/15/78/1137181578.db2.gz PFYJJLUDJSENEZ-MBVDDHJVSA-N 1 2 331.485 3.711 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)o1 ZINC001143627747 1137183909 /nfs/dbraw/zinc/18/39/09/1137183909.db2.gz TUORFVNYQRSKGU-LLVKDONJSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)o1 ZINC001143627747 1137183911 /nfs/dbraw/zinc/18/39/11/1137183911.db2.gz TUORFVNYQRSKGU-LLVKDONJSA-N 1 2 327.762 3.689 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693931 1137189869 /nfs/dbraw/zinc/18/98/69/1137189869.db2.gz WQDQKAZTKGDUBQ-AWEZNQCLSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693931 1137189871 /nfs/dbraw/zinc/18/98/71/1137189871.db2.gz WQDQKAZTKGDUBQ-AWEZNQCLSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@H]1CO ZINC001143698624 1137190353 /nfs/dbraw/zinc/19/03/53/1137190353.db2.gz ILDUIQLLEZSZFF-GWCFXTLKSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@H]1CO ZINC001143698624 1137190354 /nfs/dbraw/zinc/19/03/54/1137190354.db2.gz ILDUIQLLEZSZFF-GWCFXTLKSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609920 1137194432 /nfs/dbraw/zinc/19/44/32/1137194432.db2.gz IELNCCFBYBNWMD-CZUORRHYSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccns1 ZINC000863609920 1137194434 /nfs/dbraw/zinc/19/44/34/1137194434.db2.gz IELNCCFBYBNWMD-CZUORRHYSA-N 1 2 347.459 3.514 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000863618548 1137195075 /nfs/dbraw/zinc/19/50/75/1137195075.db2.gz UJDKZOYKFSLNNS-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2ccccc21 ZINC001143768758 1137197294 /nfs/dbraw/zinc/19/72/94/1137197294.db2.gz AOTHCIGGNYHEGU-QGZVFWFLSA-N 1 2 331.362 3.546 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2ccccc21 ZINC001143768758 1137197296 /nfs/dbraw/zinc/19/72/96/1137197296.db2.gz AOTHCIGGNYHEGU-QGZVFWFLSA-N 1 2 331.362 3.546 20 0 EHADLO Cc1c(F)cc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143775336 1137198553 /nfs/dbraw/zinc/19/85/53/1137198553.db2.gz JPXZLVKZIMDFKE-INIZCTEOSA-N 1 2 330.369 3.579 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001171106940 1137199651 /nfs/dbraw/zinc/19/96/51/1137199651.db2.gz OSBAHEKUAFHODU-OAHLLOKOSA-N 1 2 335.407 3.891 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H](CCc1ccccc1)C(F)F ZINC000863729621 1137201030 /nfs/dbraw/zinc/20/10/30/1137201030.db2.gz JEXKKEGZLSHDJQ-HNNXBMFYSA-N 1 2 343.377 3.673 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(F)c1F ZINC001143910148 1137213809 /nfs/dbraw/zinc/21/38/09/1137213809.db2.gz DJFPGXGQCCLLGB-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c(F)c1F ZINC001143910148 1137213810 /nfs/dbraw/zinc/21/38/10/1137213810.db2.gz DJFPGXGQCCLLGB-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000844383963 1137215861 /nfs/dbraw/zinc/21/58/61/1137215861.db2.gz BHKVFPQXOUTHNY-LSDHHAIUSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](CC)CO1 ZINC000844383963 1137215862 /nfs/dbraw/zinc/21/58/62/1137215862.db2.gz BHKVFPQXOUTHNY-LSDHHAIUSA-N 1 2 329.362 3.821 20 0 EHADLO Cc1cc(NC(=O)CCOc2cccc(F)c2)ccc1-n1cc[nH+]c1 ZINC001143939448 1137216467 /nfs/dbraw/zinc/21/64/67/1137216467.db2.gz FRKIBCLYSXSMLS-UHFFFAOYSA-N 1 2 339.370 3.727 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143946946 1137217178 /nfs/dbraw/zinc/21/71/78/1137217178.db2.gz HAJSYIABBFWLFP-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143946946 1137217179 /nfs/dbraw/zinc/21/71/79/1137217179.db2.gz HAJSYIABBFWLFP-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143961705 1137219320 /nfs/dbraw/zinc/21/93/20/1137219320.db2.gz UDYRGZNXPZZQAE-UHFFFAOYSA-N 1 2 344.833 3.840 20 0 EHADLO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C/C(Cl)=C/Cl)CC2)n1 ZINC000844410897 1137220530 /nfs/dbraw/zinc/22/05/30/1137220530.db2.gz OYECQVWFIJTUDE-OEUVWSJTSA-N 1 2 330.259 3.767 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143979149 1137223339 /nfs/dbraw/zinc/22/33/39/1137223339.db2.gz VRKKPEZJRDGAAY-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143979149 1137223340 /nfs/dbraw/zinc/22/33/40/1137223340.db2.gz VRKKPEZJRDGAAY-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO C[N@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000794684875 1137225990 /nfs/dbraw/zinc/22/59/90/1137225990.db2.gz JWIYGQIAZGWWEL-INIZCTEOSA-N 1 2 329.419 3.517 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000794684875 1137225992 /nfs/dbraw/zinc/22/59/92/1137225992.db2.gz JWIYGQIAZGWWEL-INIZCTEOSA-N 1 2 329.419 3.517 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)c(C)c1 ZINC000844461350 1137226152 /nfs/dbraw/zinc/22/61/52/1137226152.db2.gz CODMOMHIONHYQB-AUUYWEPGSA-N 1 2 328.412 3.846 20 0 EHADLO Cc1ccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1Br ZINC000844489071 1137228262 /nfs/dbraw/zinc/22/82/62/1137228262.db2.gz HNRYBQBUFOAPQO-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO Cc1noc(C)c1-c1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000844496534 1137229086 /nfs/dbraw/zinc/22/90/86/1137229086.db2.gz JOCCCQZTCWHLJH-LBPRGKRZSA-N 1 2 325.368 3.712 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120235870 1137245522 /nfs/dbraw/zinc/24/55/22/1137245522.db2.gz XTSAIDNXQVNGJL-OAHLLOKOSA-N 1 2 346.525 3.721 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120235870 1137245524 /nfs/dbraw/zinc/24/55/24/1137245524.db2.gz XTSAIDNXQVNGJL-OAHLLOKOSA-N 1 2 346.525 3.721 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CN2C(=O)CC23CCCC3)cc1 ZINC000844694689 1137248459 /nfs/dbraw/zinc/24/84/59/1137248459.db2.gz OLSVSFLTCJPQMN-KRWDZBQOSA-N 1 2 330.497 3.588 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CN2C(=O)CC23CCCC3)cc1 ZINC000844694689 1137248461 /nfs/dbraw/zinc/24/84/61/1137248461.db2.gz OLSVSFLTCJPQMN-KRWDZBQOSA-N 1 2 330.497 3.588 20 0 EHADLO Fc1ccc2n[nH]c(C[N@@H+]3CC[C@H](Oc4cc(F)ccc4F)C3)c2c1 ZINC001144197807 1137249953 /nfs/dbraw/zinc/24/99/53/1137249953.db2.gz YVYNFKZCURVYHW-ZDUSSCGKSA-N 1 2 347.340 3.634 20 0 EHADLO Fc1ccc2n[nH]c(C[N@H+]3CC[C@H](Oc4cc(F)ccc4F)C3)c2c1 ZINC001144197807 1137249955 /nfs/dbraw/zinc/24/99/55/1137249955.db2.gz YVYNFKZCURVYHW-ZDUSSCGKSA-N 1 2 347.340 3.634 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)c1=S ZINC000844739578 1137251566 /nfs/dbraw/zinc/25/15/66/1137251566.db2.gz UQOGUIYBXFEEGW-INIZCTEOSA-N 1 2 348.491 3.936 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)c1=S ZINC000844739578 1137251567 /nfs/dbraw/zinc/25/15/67/1137251567.db2.gz UQOGUIYBXFEEGW-INIZCTEOSA-N 1 2 348.491 3.936 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2cc(O)ccc21 ZINC000864987508 1137256574 /nfs/dbraw/zinc/25/65/74/1137256574.db2.gz ZNQFLPNWLIOCFS-SFHVURJKSA-N 1 2 337.423 3.587 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158372 1137266020 /nfs/dbraw/zinc/26/60/20/1137266020.db2.gz JMLXLVJPSWFDMA-KIUWMYQTSA-N 1 2 349.356 3.779 20 0 EHADLO CCc1cccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1 ZINC001144329189 1137274023 /nfs/dbraw/zinc/27/40/23/1137274023.db2.gz QNENSJORVKWRAO-GOSISDBHSA-N 1 2 333.472 3.572 20 0 EHADLO CCc1cccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1 ZINC001144329189 1137274024 /nfs/dbraw/zinc/27/40/24/1137274024.db2.gz QNENSJORVKWRAO-GOSISDBHSA-N 1 2 333.472 3.572 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279333 1137283182 /nfs/dbraw/zinc/28/31/82/1137283182.db2.gz ZTRXBHJEEUHIHM-HUUCEWRRSA-N 1 2 343.427 3.528 20 0 EHADLO Cc1ccc(C[C@@H]([NH2+]Cc2cn(C3CC3)cn2)c2ccccn2)cc1 ZINC000865465617 1137286489 /nfs/dbraw/zinc/28/64/89/1137286489.db2.gz DZPJJDGDIOGKGX-OAQYLSRUSA-N 1 2 332.451 3.995 20 0 EHADLO COc1cc(F)cc(C[NH2+]Cc2nccc(C)c2Br)c1 ZINC000865517167 1137291005 /nfs/dbraw/zinc/29/10/05/1137291005.db2.gz PWUFQLXXAVCULC-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nccc(C)c1Br)c1ccco1 ZINC000865524889 1137291656 /nfs/dbraw/zinc/29/16/56/1137291656.db2.gz PEGBMXBQTFRBFW-GFCCVEGCSA-N 1 2 339.233 3.613 20 0 EHADLO O=c1[nH]ccc2oc(C[NH2+]Cc3c(F)cccc3N3CCCC3)cc21 ZINC000865566326 1137295636 /nfs/dbraw/zinc/29/56/36/1137295636.db2.gz XZFIWRQPNVPTCE-UHFFFAOYSA-N 1 2 341.386 3.563 20 0 EHADLO CSc1ccc([C@H](C)OC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845555160 1137299087 /nfs/dbraw/zinc/29/90/87/1137299087.db2.gz RNYBCYBPFKDICZ-ZDUSSCGKSA-N 1 2 330.453 3.788 20 0 EHADLO C[C@@H](CC(=O)N1CCc2cc(-c3ccccc3)oc2C1)n1cc[nH+]c1 ZINC000845702524 1137303306 /nfs/dbraw/zinc/30/33/06/1137303306.db2.gz VLPMTUQGIHSZIK-HNNXBMFYSA-N 1 2 335.407 3.679 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@H](CC(C)C)C3)c2=S)n1 ZINC000120724802 1137310506 /nfs/dbraw/zinc/31/05/06/1137310506.db2.gz KKSPQPJYWNZOER-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@H](CC(C)C)C3)c2=S)n1 ZINC000120724802 1137310508 /nfs/dbraw/zinc/31/05/08/1137310508.db2.gz KKSPQPJYWNZOER-OAHLLOKOSA-N 1 2 333.505 3.593 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cnc(C3CCCC3)s2)n1 ZINC000865808284 1137313573 /nfs/dbraw/zinc/31/35/73/1137313573.db2.gz GKUYQGNFHUYUEW-UHFFFAOYSA-N 1 2 326.416 3.762 20 0 EHADLO CC[N@H+](Cc1ccccc1)Cc1nc(OC)ccc1Br ZINC001144592422 1137314139 /nfs/dbraw/zinc/31/41/39/1137314139.db2.gz VXKNRTCIYPIWLL-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1ccccc1)Cc1nc(OC)ccc1Br ZINC001144592422 1137314140 /nfs/dbraw/zinc/31/41/40/1137314140.db2.gz VXKNRTCIYPIWLL-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1noc3cc(F)ccc13)O[C@@H](C)C2 ZINC000865836227 1137315337 /nfs/dbraw/zinc/31/53/37/1137315337.db2.gz WWIUYOFUCFCSFE-NSHDSACASA-N 1 2 342.370 3.589 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc3cnccc3o2)C(C)(C)C1 ZINC000845909858 1137319507 /nfs/dbraw/zinc/31/95/07/1137319507.db2.gz GWQGTZMASIPZEV-UHFFFAOYSA-N 1 2 345.443 3.659 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc3cnccc3o2)C(C)(C)C1 ZINC000845909858 1137319509 /nfs/dbraw/zinc/31/95/09/1137319509.db2.gz GWQGTZMASIPZEV-UHFFFAOYSA-N 1 2 345.443 3.659 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc(C)cc2Cl)c(OC)c1 ZINC000845924248 1137320682 /nfs/dbraw/zinc/32/06/82/1137320682.db2.gz JATBQGYBEZBMSB-UHFFFAOYSA-N 1 2 335.831 3.964 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666712 1137324706 /nfs/dbraw/zinc/32/47/06/1137324706.db2.gz MYHLRQWZEULOLH-GFCCVEGCSA-N 1 2 341.304 3.602 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666712 1137324708 /nfs/dbraw/zinc/32/47/08/1137324708.db2.gz MYHLRQWZEULOLH-GFCCVEGCSA-N 1 2 341.304 3.602 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1([C@H]2CCCCO2)CCC1 ZINC000866093068 1137329097 /nfs/dbraw/zinc/32/90/97/1137329097.db2.gz BYEVKQUIJPQYPT-OAHLLOKOSA-N 1 2 343.475 3.733 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000846116780 1137333663 /nfs/dbraw/zinc/33/36/63/1137333663.db2.gz HNWAXXCLPBAXED-ZBFHGGJFSA-N 1 2 349.475 3.818 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)no1 ZINC001144729823 1137337557 /nfs/dbraw/zinc/33/75/57/1137337557.db2.gz VXAKXULEMKCUDV-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1cccc(-n2ccnc2)c1 ZINC000866274964 1137341831 /nfs/dbraw/zinc/34/18/31/1137341831.db2.gz BRXXHZPZAOTVJL-BOUXLOLZSA-N 1 2 337.398 3.995 20 0 EHADLO Cc1cncc([C@@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)c1 ZINC000866276298 1137341934 /nfs/dbraw/zinc/34/19/34/1137341934.db2.gz NEKCKYGCKDAPRJ-KRWDZBQOSA-N 1 2 329.407 3.927 20 0 EHADLO Cc1cncc([C@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)c1 ZINC000866276299 1137341955 /nfs/dbraw/zinc/34/19/55/1137341955.db2.gz NEKCKYGCKDAPRJ-QGZVFWFLSA-N 1 2 329.407 3.927 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2nnc[nH]2)cc1 ZINC000846216186 1137341998 /nfs/dbraw/zinc/34/19/98/1137341998.db2.gz QVNANIGIIQGUSG-AAEUAGOBSA-N 1 2 343.233 3.597 20 0 EHADLO ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000846212636 1137343500 /nfs/dbraw/zinc/34/35/00/1137343500.db2.gz FYTRMCZAJNXCAU-QWHCGFSZSA-N 1 2 331.291 3.990 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+][C@H]2c3ccccc3OC[C@H]2F)c2ccccc21 ZINC000866313013 1137344792 /nfs/dbraw/zinc/34/47/92/1137344792.db2.gz UGZGEYXSHWAQBB-UWVAXJGDSA-N 1 2 340.398 3.546 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)cs1 ZINC000866360018 1137349454 /nfs/dbraw/zinc/34/94/54/1137349454.db2.gz BWWKWMBFEQNUPA-VIFPVBQESA-N 1 2 337.832 3.935 20 0 EHADLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc(N2CCCC2)n1 ZINC000866360008 1137349459 /nfs/dbraw/zinc/34/94/59/1137349459.db2.gz BQOFUZOVXFDLQJ-XLIONFOSSA-N 1 2 341.430 3.552 20 0 EHADLO CCn1cc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2F)nn1 ZINC000866389835 1137351091 /nfs/dbraw/zinc/35/10/91/1137351091.db2.gz PGJMVCVIWADFIX-LJQANCHMSA-N 1 2 342.393 3.650 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2cccc(SC(F)(F)F)c2)n1 ZINC000866395297 1137351612 /nfs/dbraw/zinc/35/16/12/1137351612.db2.gz PQGPPGPJFLPYHP-SNVBAGLBSA-N 1 2 330.379 3.761 20 0 EHADLO CCCC[C@@](CC)(Nc1cc(N)c(C(F)(F)F)c[nH+]1)C(=O)OCC ZINC001171227490 1137352612 /nfs/dbraw/zinc/35/26/12/1137352612.db2.gz OQYPAQLRHFRWIZ-OAHLLOKOSA-N 1 2 347.381 3.997 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cnc4ccccc4c3)c[nH+]2)C[C@H](C)O1 ZINC000772940003 1137354896 /nfs/dbraw/zinc/35/48/96/1137354896.db2.gz TVTMXCHKEDGDGK-HOTGVXAUSA-N 1 2 348.450 3.856 20 0 EHADLO C/C(=C/c1ccco1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000846862510 1137369998 /nfs/dbraw/zinc/36/99/98/1137369998.db2.gz CUBFLYUDLQTSIW-SSZFMOIBSA-N 1 2 339.439 3.775 20 0 EHADLO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000121613361 1137378724 /nfs/dbraw/zinc/37/87/24/1137378724.db2.gz KIYZMXOOJGGFJZ-RBUKOAKNSA-N 1 2 331.843 3.621 20 0 EHADLO C[C@]1(c2ccccc2)C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000121613361 1137378726 /nfs/dbraw/zinc/37/87/26/1137378726.db2.gz KIYZMXOOJGGFJZ-RBUKOAKNSA-N 1 2 331.843 3.621 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1conc1C1CCCC1 ZINC000867802407 1137386754 /nfs/dbraw/zinc/38/67/54/1137386754.db2.gz RGOGOYQACANNHS-UHFFFAOYSA-N 1 2 344.459 3.644 20 0 EHADLO O=C(Nc1ncc(Cl)s1)c1c[nH+]ccc1Nc1ccccc1 ZINC001146516990 1137391258 /nfs/dbraw/zinc/39/12/58/1137391258.db2.gz KEWODSMTDLSFPJ-UHFFFAOYSA-N 1 2 330.800 3.609 20 0 EHADLO CN(C)c1cc(CSCc2noc(-c3ccsc3)n2)cc[nH+]1 ZINC000127417497 1137398597 /nfs/dbraw/zinc/39/85/97/1137398597.db2.gz WARFTYUFKIVKHX-UHFFFAOYSA-N 1 2 332.454 3.693 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@@H]1COCc2ccccc21 ZINC001171292744 1137398629 /nfs/dbraw/zinc/39/86/29/1137398629.db2.gz XVVXNAVKOYPXDH-QGZVFWFLSA-N 1 2 340.423 3.649 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cccc2c1OCC2 ZINC001147453006 1137407714 /nfs/dbraw/zinc/40/77/14/1137407714.db2.gz USFHQNZWBIGZGJ-MRXNPFEDSA-N 1 2 333.391 3.505 20 0 EHADLO O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2[nH+]ccn2CC1 ZINC001147989162 1137416731 /nfs/dbraw/zinc/41/67/31/1137416731.db2.gz MSYDMQLDEWSZIM-UHFFFAOYSA-N 1 2 349.818 3.589 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccccc2C2CC2)CC1 ZINC001148476508 1137425960 /nfs/dbraw/zinc/42/59/60/1137425960.db2.gz LCOXNDQTDIXEOG-UHFFFAOYSA-N 1 2 335.451 3.647 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104435 1137437034 /nfs/dbraw/zinc/43/70/34/1137437034.db2.gz HWQFHMFIYFFAIH-CJNGLKHVSA-N 1 2 329.469 3.637 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104435 1137437035 /nfs/dbraw/zinc/43/70/35/1137437035.db2.gz HWQFHMFIYFFAIH-CJNGLKHVSA-N 1 2 329.469 3.637 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000869104385 1137437042 /nfs/dbraw/zinc/43/70/42/1137437042.db2.gz HLHWSJBFXXWBEK-SJORKVTESA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000869104385 1137437043 /nfs/dbraw/zinc/43/70/43/1137437043.db2.gz HLHWSJBFXXWBEK-SJORKVTESA-N 1 2 341.480 3.781 20 0 EHADLO Cn1c[nH+]cc1CN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000348112814 1137441696 /nfs/dbraw/zinc/44/16/96/1137441696.db2.gz QJTNTSXUXUEBTG-SFHVURJKSA-N 1 2 339.418 3.677 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)C2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068341 1137445810 /nfs/dbraw/zinc/44/58/10/1137445810.db2.gz DTHQMAQAEAIRPS-YVEFUNNKSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)C2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068341 1137445813 /nfs/dbraw/zinc/44/58/13/1137445813.db2.gz DTHQMAQAEAIRPS-YVEFUNNKSA-N 1 2 341.373 3.836 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000282761172 1137446133 /nfs/dbraw/zinc/44/61/33/1137446133.db2.gz OGGHBCLHMNYRGV-HNNXBMFYSA-N 1 2 326.444 3.569 20 0 EHADLO Cc1cc(C[NH2+]Cc2ncc(Br)s2)cc(Cl)n1 ZINC000714948973 1137474345 /nfs/dbraw/zinc/47/43/45/1137474345.db2.gz BFBJDOGGHXGOLS-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cscc2Cl)[nH+]1 ZINC000870201815 1137480943 /nfs/dbraw/zinc/48/09/43/1137480943.db2.gz DVKCAOWDELZHMF-UHFFFAOYSA-N 1 2 339.844 3.911 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773282039 1137486368 /nfs/dbraw/zinc/48/63/68/1137486368.db2.gz LYJPTYRKATYTBK-UHFFFAOYSA-N 1 2 340.807 3.928 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773282039 1137486370 /nfs/dbraw/zinc/48/63/70/1137486370.db2.gz LYJPTYRKATYTBK-UHFFFAOYSA-N 1 2 340.807 3.928 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773325702 1137489654 /nfs/dbraw/zinc/48/96/54/1137489654.db2.gz NWUFDXVLGOPUBH-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773325702 1137489655 /nfs/dbraw/zinc/48/96/55/1137489655.db2.gz NWUFDXVLGOPUBH-UHFFFAOYSA-N 1 2 338.741 3.616 20 0 EHADLO COc1cccc2c(NC3CCN(c4cccnc4)CC3)cc[nH+]c12 ZINC001171472904 1137492979 /nfs/dbraw/zinc/49/29/79/1137492979.db2.gz FYAKDVBJIDNFRN-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC001171502056 1137494914 /nfs/dbraw/zinc/49/49/14/1137494914.db2.gz PUOQCYLPSYAAPC-SFHVURJKSA-N 1 2 344.361 3.833 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513071 1137495481 /nfs/dbraw/zinc/49/54/81/1137495481.db2.gz SZYDHDORDLRODT-LLVKDONJSA-N 1 2 343.389 3.671 20 0 EHADLO COC/C(C)=C\C[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001171739983 1137511097 /nfs/dbraw/zinc/51/10/97/1137511097.db2.gz AABYPEGLSBRGNS-ACAGNQJTSA-N 1 2 329.271 3.708 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808157 1137513999 /nfs/dbraw/zinc/51/39/99/1137513999.db2.gz YIQHVYJOHJIIJI-IFXJQAMLSA-N 1 2 333.353 3.645 20 0 EHADLO Fc1cccc2c1C[C@@H]([N@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808157 1137514001 /nfs/dbraw/zinc/51/40/01/1137514001.db2.gz YIQHVYJOHJIIJI-IFXJQAMLSA-N 1 2 333.353 3.645 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001171860291 1137516302 /nfs/dbraw/zinc/51/63/02/1137516302.db2.gz FMILJAFKHDHMTQ-INIZCTEOSA-N 1 2 339.826 3.738 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001171860291 1137516303 /nfs/dbraw/zinc/51/63/03/1137516303.db2.gz FMILJAFKHDHMTQ-INIZCTEOSA-N 1 2 339.826 3.738 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001171920723 1137518526 /nfs/dbraw/zinc/51/85/26/1137518526.db2.gz METXBJMRLPCWRA-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC001171920723 1137518528 /nfs/dbraw/zinc/51/85/28/1137518528.db2.gz METXBJMRLPCWRA-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001171967443 1137519502 /nfs/dbraw/zinc/51/95/02/1137519502.db2.gz ABCCZWQJLHAEGV-RISCZKNCSA-N 1 2 337.332 3.728 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001171967443 1137519504 /nfs/dbraw/zinc/51/95/04/1137519504.db2.gz ABCCZWQJLHAEGV-RISCZKNCSA-N 1 2 337.332 3.728 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001171960837 1137519600 /nfs/dbraw/zinc/51/96/00/1137519600.db2.gz JUSVCAAXHWJXRY-WFASDCNBSA-N 1 2 331.378 3.958 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000871247896 1137528855 /nfs/dbraw/zinc/52/88/55/1137528855.db2.gz ARDRSNQAQBYQNB-AUUYWEPGSA-N 1 2 347.409 3.736 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CO1 ZINC001172290548 1137548052 /nfs/dbraw/zinc/54/80/52/1137548052.db2.gz DPBUGMCWTXAQOH-INIZCTEOSA-N 1 2 343.446 3.807 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CO1 ZINC001172290548 1137548054 /nfs/dbraw/zinc/54/80/54/1137548054.db2.gz DPBUGMCWTXAQOH-INIZCTEOSA-N 1 2 343.446 3.807 20 0 EHADLO c1c[nH+]c(Nc2ccc(C3CCOCC3)cc2)c(N2CCOCC2)c1 ZINC001212652368 1137548458 /nfs/dbraw/zinc/54/84/58/1137548458.db2.gz LECRYHLGPOTTCU-UHFFFAOYSA-N 1 2 339.439 3.556 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C(C)(C)c2ccncc2)no1)c1ccccc1 ZINC000871856464 1137560919 /nfs/dbraw/zinc/56/09/19/1137560919.db2.gz PIOFGIFMRVQQBN-QGZVFWFLSA-N 1 2 336.439 3.832 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C(C)(C)c2ccncc2)no1)c1ccccc1 ZINC000871856464 1137560920 /nfs/dbraw/zinc/56/09/20/1137560920.db2.gz PIOFGIFMRVQQBN-QGZVFWFLSA-N 1 2 336.439 3.832 20 0 EHADLO O=C1[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CCCN1Cc1ccccc1 ZINC000871925010 1137563157 /nfs/dbraw/zinc/56/31/57/1137563157.db2.gz TVKYCOYISHCYCE-OALUTQOASA-N 1 2 344.405 3.617 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cc(O)ccc2F)c1 ZINC000872041920 1137567195 /nfs/dbraw/zinc/56/71/95/1137567195.db2.gz LRYKMBVRQXHTLT-JTQLQIEISA-N 1 2 341.329 3.992 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nonc2C)ccc1SC(F)F ZINC000872134971 1137573614 /nfs/dbraw/zinc/57/36/14/1137573614.db2.gz ATUQHPDPMZBXDJ-QMMMGPOBSA-N 1 2 329.372 3.552 20 0 EHADLO CCS[C@H](C)c1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872174980 1137575270 /nfs/dbraw/zinc/57/52/70/1137575270.db2.gz ILJKMZLCKITYNP-LDYMZIIASA-N 1 2 331.363 3.951 20 0 EHADLO CCSCCCc1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872180430 1137575496 /nfs/dbraw/zinc/57/54/96/1137575496.db2.gz QEGCVTKZRIXNAL-ZDUSSCGKSA-N 1 2 345.390 3.822 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872281210 1137577718 /nfs/dbraw/zinc/57/77/18/1137577718.db2.gz QNNYDFHOXUJGKH-ZFWWWQNUSA-N 1 2 339.505 3.807 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872281210 1137577719 /nfs/dbraw/zinc/57/77/19/1137577719.db2.gz QNNYDFHOXUJGKH-ZFWWWQNUSA-N 1 2 339.505 3.807 20 0 EHADLO C[C@H]1CCN(c2cc(C(C)(C)C)nc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000872482701 1137580741 /nfs/dbraw/zinc/58/07/41/1137580741.db2.gz YJJWPEFRZPETNW-STQMWFEESA-N 1 2 333.867 3.712 20 0 EHADLO Cc1cc(N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)nc(C2CC2)[nH+]1 ZINC000872648513 1137582313 /nfs/dbraw/zinc/58/23/13/1137582313.db2.gz LVANRRBYGCLLOA-HNNXBMFYSA-N 1 2 325.460 3.893 20 0 EHADLO Cc1cc(N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)nc(C2CC2)[nH+]1 ZINC000872648513 1137582314 /nfs/dbraw/zinc/58/23/14/1137582314.db2.gz LVANRRBYGCLLOA-HNNXBMFYSA-N 1 2 325.460 3.893 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000873076849 1137589648 /nfs/dbraw/zinc/58/96/48/1137589648.db2.gz CBLFDJALQPIXPE-CYBMUJFWSA-N 1 2 331.416 3.550 20 0 EHADLO CC(C)n1cc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)cn1 ZINC000873176873 1137592653 /nfs/dbraw/zinc/59/26/53/1137592653.db2.gz VOLXYAMJUMTNOT-UHFFFAOYSA-N 1 2 332.354 3.687 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cs1 ZINC000873186204 1137592996 /nfs/dbraw/zinc/59/29/96/1137592996.db2.gz IPLAOSJCTPFLGO-VIFPVBQESA-N 1 2 331.363 3.554 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@H+](C)CC3CCOCC3)c(=S)o2)c1 ZINC000124681446 1137607382 /nfs/dbraw/zinc/60/73/82/1137607382.db2.gz IESAVHFUHPXRKE-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@@H+](C)CC3CCOCC3)c(=S)o2)c1 ZINC000124681446 1137607383 /nfs/dbraw/zinc/60/73/83/1137607383.db2.gz IESAVHFUHPXRKE-UHFFFAOYSA-N 1 2 347.484 3.805 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874118518 1137610771 /nfs/dbraw/zinc/61/07/71/1137610771.db2.gz QZHSATUNXSRSED-ZIAGYGMSSA-N 1 2 344.846 3.796 20 0 EHADLO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874118518 1137610772 /nfs/dbraw/zinc/61/07/72/1137610772.db2.gz QZHSATUNXSRSED-ZIAGYGMSSA-N 1 2 344.846 3.796 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000874324534 1137613075 /nfs/dbraw/zinc/61/30/75/1137613075.db2.gz PZHDLEKBUQOGBJ-OAHLLOKOSA-N 1 2 327.428 3.607 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000874346799 1137613204 /nfs/dbraw/zinc/61/32/04/1137613204.db2.gz QEPNXJSZWJJSFS-RTBURBONSA-N 1 2 325.456 3.624 20 0 EHADLO CC(C)C[C@H](C(=O)Oc1cccc(NC(=O)C(C)C)c1)n1cc[nH+]c1 ZINC000874469797 1137614625 /nfs/dbraw/zinc/61/46/25/1137614625.db2.gz HDIRAQFPIPYCJD-QGZVFWFLSA-N 1 2 343.427 3.670 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000825815128 1137637881 /nfs/dbraw/zinc/63/78/81/1137637881.db2.gz ZACQYYGVHCWIPK-QGZVFWFLSA-N 1 2 330.403 3.538 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000875902983 1137640363 /nfs/dbraw/zinc/64/03/63/1137640363.db2.gz GFLRHSAKQQMLLP-QGZVFWFLSA-N 1 2 344.846 3.571 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F ZINC000825835772 1137641515 /nfs/dbraw/zinc/64/15/15/1137641515.db2.gz KNRLLPKEKNHXPF-GOSISDBHSA-N 1 2 345.393 3.594 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1 ZINC000876597557 1137656632 /nfs/dbraw/zinc/65/66/32/1137656632.db2.gz OGUVKWXOSLCNCL-UHFFFAOYSA-N 1 2 331.416 3.962 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1 ZINC000876597557 1137656633 /nfs/dbraw/zinc/65/66/33/1137656633.db2.gz OGUVKWXOSLCNCL-UHFFFAOYSA-N 1 2 331.416 3.962 20 0 EHADLO Cc1ccnc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1Br ZINC000876619549 1137657215 /nfs/dbraw/zinc/65/72/15/1137657215.db2.gz ZPKZGSBYNYHWHQ-CQSZACIVSA-N 1 2 349.272 3.536 20 0 EHADLO Cc1ccnc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1Br ZINC000876619549 1137657216 /nfs/dbraw/zinc/65/72/16/1137657216.db2.gz ZPKZGSBYNYHWHQ-CQSZACIVSA-N 1 2 349.272 3.536 20 0 EHADLO COC(=O)C[C@@H](C)[N@H+](Cc1ncc(Cl)s1)Cc1ccccc1 ZINC001137112174 1137661598 /nfs/dbraw/zinc/66/15/98/1137661598.db2.gz WFIUHKMVWIMDAF-GFCCVEGCSA-N 1 2 338.860 3.750 20 0 EHADLO COC(=O)C[C@@H](C)[N@@H+](Cc1ncc(Cl)s1)Cc1ccccc1 ZINC001137112174 1137661599 /nfs/dbraw/zinc/66/15/99/1137661599.db2.gz WFIUHKMVWIMDAF-GFCCVEGCSA-N 1 2 338.860 3.750 20 0 EHADLO C[C@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000876809541 1137662116 /nfs/dbraw/zinc/66/21/16/1137662116.db2.gz ZJMVDAULSFIGDD-NHYWBVRUSA-N 1 2 325.243 3.668 20 0 EHADLO CCO[P@](C)(=O)CC[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000876820450 1137662633 /nfs/dbraw/zinc/66/26/33/1137662633.db2.gz WONJPBPHIRKJJO-WNSKOXEYSA-N 1 2 340.404 3.658 20 0 EHADLO COC(=O)C(C)(C)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877172956 1137672295 /nfs/dbraw/zinc/67/22/95/1137672295.db2.gz ZNLZGVCMSZZVGV-UHFFFAOYSA-N 1 2 342.439 3.770 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000825955561 1137674199 /nfs/dbraw/zinc/67/41/99/1137674199.db2.gz OHVJHZNJMHCMKZ-OAHLLOKOSA-N 1 2 344.405 3.814 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CCS1 ZINC000877475631 1137677566 /nfs/dbraw/zinc/67/75/66/1137677566.db2.gz KKFWBZSQPSILHW-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CCS1 ZINC000877475631 1137677567 /nfs/dbraw/zinc/67/75/67/1137677567.db2.gz KKFWBZSQPSILHW-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000877507099 1137679069 /nfs/dbraw/zinc/67/90/69/1137679069.db2.gz KRLYXCPPSZNWNO-CHWSQXEVSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000877507099 1137679070 /nfs/dbraw/zinc/67/90/70/1137679070.db2.gz KRLYXCPPSZNWNO-CHWSQXEVSA-N 1 2 345.668 3.641 20 0 EHADLO CCCn1cc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)nn1 ZINC000877514514 1137679204 /nfs/dbraw/zinc/67/92/04/1137679204.db2.gz MFWZAGLEINLXDJ-GOSISDBHSA-N 1 2 334.414 3.750 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877522111 1137679432 /nfs/dbraw/zinc/67/94/32/1137679432.db2.gz AQMGGKFRFXKYBD-GFCCVEGCSA-N 1 2 334.832 3.978 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877522111 1137679433 /nfs/dbraw/zinc/67/94/33/1137679433.db2.gz AQMGGKFRFXKYBD-GFCCVEGCSA-N 1 2 334.832 3.978 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC001137876759 1137685209 /nfs/dbraw/zinc/68/52/09/1137685209.db2.gz YXMBNGMBECIMCL-OAHLLOKOSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC001137876759 1137685210 /nfs/dbraw/zinc/68/52/10/1137685210.db2.gz YXMBNGMBECIMCL-OAHLLOKOSA-N 1 2 325.305 3.896 20 0 EHADLO F[C@]1(c2ccccc2)CCC[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000877712447 1137686748 /nfs/dbraw/zinc/68/67/48/1137686748.db2.gz MDUZYKVTGYKVOG-GOSISDBHSA-N 1 2 348.443 3.649 20 0 EHADLO F[C@]1(c2ccccc2)CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000877712447 1137686749 /nfs/dbraw/zinc/68/67/49/1137686749.db2.gz MDUZYKVTGYKVOG-GOSISDBHSA-N 1 2 348.443 3.649 20 0 EHADLO CC(C)c1cnc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)s1 ZINC000877714492 1137686773 /nfs/dbraw/zinc/68/67/73/1137686773.db2.gz YKJBKTVXFJBZLE-OAHLLOKOSA-N 1 2 328.485 3.646 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)s1 ZINC000877714492 1137686774 /nfs/dbraw/zinc/68/67/74/1137686774.db2.gz YKJBKTVXFJBZLE-OAHLLOKOSA-N 1 2 328.485 3.646 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877773516 1137689268 /nfs/dbraw/zinc/68/92/68/1137689268.db2.gz RMSOCENVPATBIU-UHFFFAOYSA-N 1 2 349.862 3.562 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877773516 1137689269 /nfs/dbraw/zinc/68/92/69/1137689269.db2.gz RMSOCENVPATBIU-UHFFFAOYSA-N 1 2 349.862 3.562 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+]C[C@@H](C)c3ccccc3)cc2)CC1 ZINC000877773816 1137689303 /nfs/dbraw/zinc/68/93/03/1137689303.db2.gz ADRWDQRZSAVLSI-QGZVFWFLSA-N 1 2 337.467 3.571 20 0 EHADLO CCn1nc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c2ccccc21 ZINC000877822248 1137691864 /nfs/dbraw/zinc/69/18/64/1137691864.db2.gz FQBPSFTVVWHXBP-MLGOLLRUSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1nc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c2ccccc21 ZINC000877822248 1137691865 /nfs/dbraw/zinc/69/18/65/1137691865.db2.gz FQBPSFTVVWHXBP-MLGOLLRUSA-N 1 2 341.377 3.598 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cccc(F)c2F)c1C ZINC000126771397 1137694556 /nfs/dbraw/zinc/69/45/56/1137694556.db2.gz ZLUKGMZZQBSFKX-GFCCVEGCSA-N 1 2 349.381 3.546 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC[C@H]3CCc4ccccc43)sc2C1 ZINC000877965179 1137697413 /nfs/dbraw/zinc/69/74/13/1137697413.db2.gz DHDGKADIYGSKEK-CQSZACIVSA-N 1 2 341.480 3.580 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC[C@H]3CCc4ccccc43)sc2C1 ZINC000877965179 1137697414 /nfs/dbraw/zinc/69/74/14/1137697414.db2.gz DHDGKADIYGSKEK-CQSZACIVSA-N 1 2 341.480 3.580 20 0 EHADLO CCCC[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)[C@@H](C)c1ccc(C)o1 ZINC000878011752 1137699449 /nfs/dbraw/zinc/69/94/49/1137699449.db2.gz ABAOJWCXLVELNZ-AWEZNQCLSA-N 1 2 345.443 3.520 20 0 EHADLO CCCC[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)[C@@H](C)c1ccc(C)o1 ZINC000878011752 1137699450 /nfs/dbraw/zinc/69/94/50/1137699450.db2.gz ABAOJWCXLVELNZ-AWEZNQCLSA-N 1 2 345.443 3.520 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878120894 1137703312 /nfs/dbraw/zinc/70/33/12/1137703312.db2.gz LXFZCNAIULIBGD-HNNXBMFYSA-N 1 2 342.414 3.787 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878120894 1137703313 /nfs/dbraw/zinc/70/33/13/1137703313.db2.gz LXFZCNAIULIBGD-HNNXBMFYSA-N 1 2 342.414 3.787 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000878190383 1137706448 /nfs/dbraw/zinc/70/64/48/1137706448.db2.gz HIWNZBJKDVMOSB-GJZGRUSLSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000878190383 1137706449 /nfs/dbraw/zinc/70/64/49/1137706449.db2.gz HIWNZBJKDVMOSB-GJZGRUSLSA-N 1 2 338.879 3.722 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2scnc2Cl)cc1OC ZINC000878364670 1137712826 /nfs/dbraw/zinc/71/28/26/1137712826.db2.gz TUCCVLHQDYZLDN-MRVPVSSYSA-N 1 2 330.812 3.804 20 0 EHADLO Fc1cccnc1N1CCC[N@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878483948 1137717546 /nfs/dbraw/zinc/71/75/46/1137717546.db2.gz IEYSAIHZQQKPPS-UHFFFAOYSA-N 1 2 343.324 3.545 20 0 EHADLO Fc1cccnc1N1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878483948 1137717547 /nfs/dbraw/zinc/71/75/47/1137717547.db2.gz IEYSAIHZQQKPPS-UHFFFAOYSA-N 1 2 343.324 3.545 20 0 EHADLO OC[C@]1([NH2+]Cc2c(Cl)cncc2Cl)CCCc2ccccc21 ZINC000878555085 1137720076 /nfs/dbraw/zinc/72/00/76/1137720076.db2.gz PSNSYALYMDIYGL-QGZVFWFLSA-N 1 2 337.250 3.702 20 0 EHADLO CC1(C)CCc2onc(C[NH2+][C@]3(CO)CCCc4ccccc43)c2C1 ZINC000878554665 1137720097 /nfs/dbraw/zinc/72/00/97/1137720097.db2.gz HLJWLWXHBHTMEB-NRFANRHFSA-N 1 2 340.467 3.503 20 0 EHADLO Cn1ccc(-c2nc(C[NH+]3CCC(CC(F)(F)F)CC3)cs2)n1 ZINC000878573149 1137720933 /nfs/dbraw/zinc/72/09/33/1137720933.db2.gz HIYKUJJTCZKVSE-UHFFFAOYSA-N 1 2 344.406 3.708 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001137134307 1137721132 /nfs/dbraw/zinc/72/11/32/1137721132.db2.gz OBDYHOAEQSUHTP-IRXDYDNUSA-N 1 2 346.471 3.667 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001137134307 1137721133 /nfs/dbraw/zinc/72/11/33/1137721133.db2.gz OBDYHOAEQSUHTP-IRXDYDNUSA-N 1 2 346.471 3.667 20 0 EHADLO FC(F)(F)OCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000878616206 1137722374 /nfs/dbraw/zinc/72/23/74/1137722374.db2.gz LJPRPUNEWWBJHD-GFCCVEGCSA-N 1 2 333.354 3.791 20 0 EHADLO FC(F)(F)OCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000878616206 1137722375 /nfs/dbraw/zinc/72/23/75/1137722375.db2.gz LJPRPUNEWWBJHD-GFCCVEGCSA-N 1 2 333.354 3.791 20 0 EHADLO CCOCC(C)(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878653193 1137723935 /nfs/dbraw/zinc/72/39/35/1137723935.db2.gz AKVRUYCNEBOIIA-UHFFFAOYSA-N 1 2 344.242 3.948 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679301 1137724826 /nfs/dbraw/zinc/72/48/26/1137724826.db2.gz YRXIEOBBRXQCFK-ZFWWWQNUSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1(C)C ZINC000878679301 1137724827 /nfs/dbraw/zinc/72/48/27/1137724827.db2.gz YRXIEOBBRXQCFK-ZFWWWQNUSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cncc([C@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000879001652 1137734802 /nfs/dbraw/zinc/73/48/02/1137734802.db2.gz DKLNXFDLSIKYSK-QGZVFWFLSA-N 1 2 339.443 3.528 20 0 EHADLO C[C@H]1CCN(C(=O)CC(C)(C)CC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000879152332 1137739608 /nfs/dbraw/zinc/73/96/08/1137739608.db2.gz NOYPUJJPZKVCDZ-STQMWFEESA-N 1 2 331.382 3.661 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630442 1137752903 /nfs/dbraw/zinc/75/29/03/1137752903.db2.gz JGFNNICMTBPVJU-LPHOPBHVSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630442 1137752904 /nfs/dbraw/zinc/75/29/04/1137752904.db2.gz JGFNNICMTBPVJU-LPHOPBHVSA-N 1 2 331.456 3.560 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@@H](c3ccccc3OC)CC2)no1 ZINC000879728137 1137756663 /nfs/dbraw/zinc/75/66/63/1137756663.db2.gz OSDZMWJKLUQPDO-OAHLLOKOSA-N 1 2 329.444 3.800 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@@H](c3ccccc3OC)CC2)no1 ZINC000879728137 1137756664 /nfs/dbraw/zinc/75/66/64/1137756664.db2.gz OSDZMWJKLUQPDO-OAHLLOKOSA-N 1 2 329.444 3.800 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000879738079 1137757264 /nfs/dbraw/zinc/75/72/64/1137757264.db2.gz NCYFYFLKQVKAAN-MOPGFXCFSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000879738079 1137757265 /nfs/dbraw/zinc/75/72/65/1137757265.db2.gz NCYFYFLKQVKAAN-MOPGFXCFSA-N 1 2 331.456 3.560 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccncc2Br)c1 ZINC000879752076 1137758007 /nfs/dbraw/zinc/75/80/07/1137758007.db2.gz LMNDDTNXDABOPM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccncc2Br)c1 ZINC000879752076 1137758008 /nfs/dbraw/zinc/75/80/08/1137758008.db2.gz LMNDDTNXDABOPM-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000880002147 1137764490 /nfs/dbraw/zinc/76/44/90/1137764490.db2.gz WNEIEGPTVXQVDF-MRXNPFEDSA-N 1 2 339.361 3.629 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000880002147 1137764491 /nfs/dbraw/zinc/76/44/91/1137764491.db2.gz WNEIEGPTVXQVDF-MRXNPFEDSA-N 1 2 339.361 3.629 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062113 1137766991 /nfs/dbraw/zinc/76/69/91/1137766991.db2.gz HXSGJKAKNHPELA-JTNHKYCSSA-N 1 2 328.334 3.931 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062113 1137766992 /nfs/dbraw/zinc/76/69/92/1137766992.db2.gz HXSGJKAKNHPELA-JTNHKYCSSA-N 1 2 328.334 3.931 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)s1 ZINC000880098256 1137768197 /nfs/dbraw/zinc/76/81/97/1137768197.db2.gz JKGWXFFYJWOIJI-SECBINFHSA-N 1 2 330.379 3.926 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000880300724 1137774039 /nfs/dbraw/zinc/77/40/39/1137774039.db2.gz HSMNLOWCDBYGFX-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000880300724 1137774040 /nfs/dbraw/zinc/77/40/40/1137774040.db2.gz HSMNLOWCDBYGFX-MRXNPFEDSA-N 1 2 340.345 3.803 20 0 EHADLO FC(F)(F)COc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000880365409 1137776402 /nfs/dbraw/zinc/77/64/02/1137776402.db2.gz JWQKZFGUXKCDAS-UHFFFAOYSA-N 1 2 337.345 3.587 20 0 EHADLO C[C@H]1c2sccc2CC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000880378758 1137777298 /nfs/dbraw/zinc/77/72/98/1137777298.db2.gz ZRGIBKACTINLBB-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000880378758 1137777299 /nfs/dbraw/zinc/77/72/99/1137777299.db2.gz ZRGIBKACTINLBB-NSHDSACASA-N 1 2 330.482 3.724 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)n1 ZINC000880387432 1137777440 /nfs/dbraw/zinc/77/74/40/1137777440.db2.gz JYMZAOODLRGURF-ZBFHGGJFSA-N 1 2 347.484 3.847 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCCSC[C@H]2c2ccccc2)n1 ZINC000880387432 1137777441 /nfs/dbraw/zinc/77/74/41/1137777441.db2.gz JYMZAOODLRGURF-ZBFHGGJFSA-N 1 2 347.484 3.847 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](CO)c1ccccc1 ZINC000880459563 1137779022 /nfs/dbraw/zinc/77/90/22/1137779022.db2.gz GZXKPUGROKIPOH-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](CO)c1ccccc1 ZINC000880459563 1137779023 /nfs/dbraw/zinc/77/90/23/1137779023.db2.gz GZXKPUGROKIPOH-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)cs2)Cc2nn(CC3CC3)cc21 ZINC001137154488 1137779748 /nfs/dbraw/zinc/77/97/48/1137779748.db2.gz IZICRMXWLNXAQT-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)cs2)Cc2nn(CC3CC3)cc21 ZINC001137154488 1137779749 /nfs/dbraw/zinc/77/97/49/1137779749.db2.gz IZICRMXWLNXAQT-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000880685668 1137784410 /nfs/dbraw/zinc/78/44/10/1137784410.db2.gz IYGMXKUNFJZSKL-GFCCVEGCSA-N 1 2 338.333 3.829 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000880744390 1137787803 /nfs/dbraw/zinc/78/78/03/1137787803.db2.gz MSCBDVGTLWKJMZ-AWEZNQCLSA-N 1 2 328.391 3.838 20 0 EHADLO CC(C)(CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)F ZINC000881536628 1137809369 /nfs/dbraw/zinc/80/93/69/1137809369.db2.gz HISNBJAUMSUDOY-CQSZACIVSA-N 1 2 335.398 3.729 20 0 EHADLO COc1cccc([C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2(C)C)c1 ZINC000881658036 1137812903 /nfs/dbraw/zinc/81/29/03/1137812903.db2.gz SOTQURNFDYIGCU-YJBOKZPZSA-N 1 2 341.455 3.638 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)cn1 ZINC001137168702 1137815979 /nfs/dbraw/zinc/81/59/79/1137815979.db2.gz NMWKACARQUVFLA-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO N=[S@@](=O)(c1ccc(NCCCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000882160414 1137822467 /nfs/dbraw/zinc/82/24/67/1137822467.db2.gz PDCFZJRDWYDRMF-HSZRJFAPSA-N 1 2 346.378 3.701 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc2c(s1)CCC2 ZINC000882874580 1137836483 /nfs/dbraw/zinc/83/64/83/1137836483.db2.gz LWPAKAUYALZYLO-MRXNPFEDSA-N 1 2 337.448 3.605 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000882889771 1137836970 /nfs/dbraw/zinc/83/69/70/1137836970.db2.gz IOQZJOKYNSTKHV-UHFFFAOYSA-N 1 2 336.439 3.797 20 0 EHADLO C[C@H]1c2sccc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000882912083 1137838021 /nfs/dbraw/zinc/83/80/21/1137838021.db2.gz KCWCJPYTGPIJHM-NSHDSACASA-N 1 2 327.457 3.767 20 0 EHADLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000130653995 1137840465 /nfs/dbraw/zinc/84/04/65/1137840465.db2.gz WCECACDHQXVKCW-GOSISDBHSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000130653995 1137840466 /nfs/dbraw/zinc/84/04/66/1137840466.db2.gz WCECACDHQXVKCW-GOSISDBHSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000883137886 1137846143 /nfs/dbraw/zinc/84/61/43/1137846143.db2.gz PODYSXDHWLOUBK-INIZCTEOSA-N 1 2 342.270 3.837 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC1CCC1 ZINC000131166195 1137847508 /nfs/dbraw/zinc/84/75/08/1137847508.db2.gz SGSSDBJAEAKUQM-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO FC(F)Oc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1Cl ZINC000883306935 1137853680 /nfs/dbraw/zinc/85/36/80/1137853680.db2.gz IQABVENOOGITMH-UHFFFAOYSA-N 1 2 339.773 3.900 20 0 EHADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000883340938 1137855835 /nfs/dbraw/zinc/85/58/35/1137855835.db2.gz DDQDLCLCRZGINE-SFHVURJKSA-N 1 2 341.455 3.729 20 0 EHADLO O[C@H](C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1)c1ccco1 ZINC000131925244 1137861435 /nfs/dbraw/zinc/86/14/35/1137861435.db2.gz UVZWANIJCQBOMD-LJQANCHMSA-N 1 2 347.418 3.892 20 0 EHADLO O[C@H](C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1)c1ccco1 ZINC000131925244 1137861436 /nfs/dbraw/zinc/86/14/36/1137861436.db2.gz UVZWANIJCQBOMD-LJQANCHMSA-N 1 2 347.418 3.892 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000131920698 1137861444 /nfs/dbraw/zinc/86/14/44/1137861444.db2.gz YFXAJUWGPOENDK-QGZVFWFLSA-N 1 2 347.459 3.699 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000131920698 1137861445 /nfs/dbraw/zinc/86/14/45/1137861445.db2.gz YFXAJUWGPOENDK-QGZVFWFLSA-N 1 2 347.459 3.699 20 0 EHADLO CCCCCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282829622 1137864516 /nfs/dbraw/zinc/86/45/16/1137864516.db2.gz ZHELZYARLFLDEV-UHFFFAOYSA-N 1 2 330.476 3.892 20 0 EHADLO CC(C)Oc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101862319 1137871920 /nfs/dbraw/zinc/87/19/20/1137871920.db2.gz YROIKDWOIXCNBA-VMPITWQZSA-N 1 2 339.439 3.547 20 0 EHADLO Cc1ccc2c(cccc2N(c2ccc(N)cn2)[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC001212797051 1137876803 /nfs/dbraw/zinc/87/68/03/1137876803.db2.gz VNKJLIKXXKKDES-QAQDUYKDSA-N 1 2 348.450 3.962 20 0 EHADLO CSc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000104987034 1137879801 /nfs/dbraw/zinc/87/98/01/1137879801.db2.gz PXOXNVAYEKTDJW-UHFFFAOYSA-N 1 2 330.457 3.817 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000133185635 1137880297 /nfs/dbraw/zinc/88/02/97/1137880297.db2.gz SWEAULBTZNUBPI-KRWDZBQOSA-N 1 2 345.393 3.557 20 0 EHADLO Cc1ccc(/C=C\CC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000348262971 1137886525 /nfs/dbraw/zinc/88/65/25/1137886525.db2.gz UFFCYKRSJRGYOR-PLNGDYQASA-N 1 2 345.446 3.960 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1Cl ZINC000348266064 1137887016 /nfs/dbraw/zinc/88/70/16/1137887016.db2.gz ISIYFZZALCLRAP-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3ccncc3Cl)CC2)c1 ZINC000348278435 1137892343 /nfs/dbraw/zinc/89/23/43/1137892343.db2.gz BOCVCLDENOAQOQ-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C([C@H](F)c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103495 1137897881 /nfs/dbraw/zinc/89/78/81/1137897881.db2.gz NKUHWZJJZYHYSK-SJLPKXTDSA-N 1 2 341.430 3.636 20 0 EHADLO CC(C)CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069414 1137899082 /nfs/dbraw/zinc/89/90/82/1137899082.db2.gz QDBHMDLKZWGWTI-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000111376446 1137904418 /nfs/dbraw/zinc/90/44/18/1137904418.db2.gz YMIKRKPOQNPMHV-QWHCGFSZSA-N 1 2 349.475 3.542 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000111727709 1137905322 /nfs/dbraw/zinc/90/53/22/1137905322.db2.gz FNBZNASUQFGFCH-BRWVUGGUSA-N 1 2 347.503 3.806 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(F)ccc1F ZINC001202658269 1137909144 /nfs/dbraw/zinc/90/91/44/1137909144.db2.gz NGFJXJASTXXXBK-UHFFFAOYSA-N 1 2 328.322 3.854 20 0 EHADLO CC(C)Cn1cc(C(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000348294424 1137910664 /nfs/dbraw/zinc/91/06/64/1137910664.db2.gz WDLMXVBEQRBWNI-UHFFFAOYSA-N 1 2 336.439 3.534 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670838 1137916566 /nfs/dbraw/zinc/91/65/66/1137916566.db2.gz OGUQACZGRBELDG-OCCSQVGLSA-N 1 2 334.851 3.619 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670838 1137916567 /nfs/dbraw/zinc/91/65/67/1137916567.db2.gz OGUQACZGRBELDG-OCCSQVGLSA-N 1 2 334.851 3.619 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2c2ccccc2)cs1)C1CC1 ZINC000114713312 1137918459 /nfs/dbraw/zinc/91/84/59/1137918459.db2.gz VZQQXXVNKOZCSR-SFHVURJKSA-N 1 2 341.480 3.996 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2c2ccccc2)cs1)C1CC1 ZINC000114713312 1137918460 /nfs/dbraw/zinc/91/84/60/1137918460.db2.gz VZQQXXVNKOZCSR-SFHVURJKSA-N 1 2 341.480 3.996 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000332290952 1137938553 /nfs/dbraw/zinc/93/85/53/1137938553.db2.gz JIHVRZAEFYKYFR-UHFFFAOYSA-N 1 2 346.818 3.677 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000332391192 1137942483 /nfs/dbraw/zinc/94/24/83/1137942483.db2.gz CXPSSRMUDPSGHC-RDTXWAMCSA-N 1 2 326.444 3.869 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000332391165 1137942510 /nfs/dbraw/zinc/94/25/10/1137942510.db2.gz CXPSSRMUDPSGHC-KBXCAEBGSA-N 1 2 326.444 3.869 20 0 EHADLO CC[C@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccccc1OC(F)F ZINC000119529709 1137942555 /nfs/dbraw/zinc/94/25/55/1137942555.db2.gz PZIIFBXXMFIVAG-ZDUSSCGKSA-N 1 2 339.338 3.909 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2nc(-c3ccco3)no2)c1 ZINC000120675630 1137951722 /nfs/dbraw/zinc/95/17/22/1137951722.db2.gz OIMRPNQABVUEQT-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)c1 ZINC000120675630 1137951723 /nfs/dbraw/zinc/95/17/23/1137951723.db2.gz OIMRPNQABVUEQT-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039086 1137953454 /nfs/dbraw/zinc/95/34/54/1137953454.db2.gz CDAJSIVWFDDMMT-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039086 1137953455 /nfs/dbraw/zinc/95/34/55/1137953455.db2.gz CDAJSIVWFDDMMT-DGCLKSJQSA-N 1 2 335.473 3.576 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000333134393 1137956299 /nfs/dbraw/zinc/95/62/99/1137956299.db2.gz FFQVUSOSIGGISH-QPWUGHHJSA-N 1 2 331.460 3.678 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000333134393 1137956300 /nfs/dbraw/zinc/95/63/00/1137956300.db2.gz FFQVUSOSIGGISH-QPWUGHHJSA-N 1 2 331.460 3.678 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+](C)Cc1cccc2c1OCO2 ZINC001137209583 1137960067 /nfs/dbraw/zinc/96/00/67/1137960067.db2.gz KXZBXQCHGVDREN-UHFFFAOYSA-N 1 2 336.391 3.604 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+](C)Cc1cccc2c1OCO2 ZINC001137209583 1137960068 /nfs/dbraw/zinc/96/00/68/1137960068.db2.gz KXZBXQCHGVDREN-UHFFFAOYSA-N 1 2 336.391 3.604 20 0 EHADLO C[C@H](CC(=O)OC[C@@H]1CCC[C@@H](c2ccccc2)O1)n1cc[nH+]c1 ZINC000884566786 1137963362 /nfs/dbraw/zinc/96/33/62/1137963362.db2.gz SZUKVMLZIRNIRX-NJAFHUGGSA-N 1 2 328.412 3.688 20 0 EHADLO O[C@@H](C[N@H+](Cc1nccs1)Cc1ccccc1)c1cccs1 ZINC000135142828 1137964108 /nfs/dbraw/zinc/96/41/08/1137964108.db2.gz VHEKTCXQCUWNOV-HNNXBMFYSA-N 1 2 330.478 3.940 20 0 EHADLO O[C@@H](C[N@@H+](Cc1nccs1)Cc1ccccc1)c1cccs1 ZINC000135142828 1137964109 /nfs/dbraw/zinc/96/41/09/1137964109.db2.gz VHEKTCXQCUWNOV-HNNXBMFYSA-N 1 2 330.478 3.940 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000135649800 1137977711 /nfs/dbraw/zinc/97/77/11/1137977711.db2.gz RKTJCBJYCXTDAY-LJQANCHMSA-N 1 2 348.450 3.521 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000135649800 1137977713 /nfs/dbraw/zinc/97/77/13/1137977713.db2.gz RKTJCBJYCXTDAY-LJQANCHMSA-N 1 2 348.450 3.521 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885242819 1137991228 /nfs/dbraw/zinc/99/12/28/1137991228.db2.gz QKMKHCYAKPECMK-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000048614678 1138043481 /nfs/dbraw/zinc/04/34/81/1138043481.db2.gz ZCQHYBZJPIJXLP-UHFFFAOYSA-N 1 2 348.443 3.724 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001137225851 1138051088 /nfs/dbraw/zinc/05/10/88/1138051088.db2.gz FFUSPJDMVRAVOZ-KRWDZBQOSA-N 1 2 345.874 3.769 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001137225851 1138051090 /nfs/dbraw/zinc/05/10/90/1138051090.db2.gz FFUSPJDMVRAVOZ-KRWDZBQOSA-N 1 2 345.874 3.769 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2C1 ZINC000066515027 1138075761 /nfs/dbraw/zinc/07/57/61/1138075761.db2.gz CGGDRKWNGHVARZ-UHFFFAOYSA-N 1 2 339.439 3.812 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2C1 ZINC000066515027 1138075764 /nfs/dbraw/zinc/07/57/64/1138075764.db2.gz CGGDRKWNGHVARZ-UHFFFAOYSA-N 1 2 339.439 3.812 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H]1CCc2cccnc21)c1nc(-c2ccncc2)no1 ZINC000886522182 1138089237 /nfs/dbraw/zinc/08/92/37/1138089237.db2.gz DTEYCXUKTOGWAU-JKSUJKDBSA-N 1 2 335.411 3.501 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H]1CCc2cccnc21)c1nc(-c2ccncc2)no1 ZINC000886522179 1138089360 /nfs/dbraw/zinc/08/93/60/1138089360.db2.gz DTEYCXUKTOGWAU-CVEARBPZSA-N 1 2 335.411 3.501 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2C)cs1)c1ccc(F)cc1 ZINC000072874772 1138108488 /nfs/dbraw/zinc/10/84/88/1138108488.db2.gz RIHGTTLXUBPZAW-LBPRGKRZSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2C)cs1)c1ccc(F)cc1 ZINC000072874772 1138108490 /nfs/dbraw/zinc/10/84/90/1138108490.db2.gz RIHGTTLXUBPZAW-LBPRGKRZSA-N 1 2 333.432 3.951 20 0 EHADLO C[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072875921 1138108616 /nfs/dbraw/zinc/10/86/16/1138108616.db2.gz JEYVFQCMXCUPOY-GFCCVEGCSA-N 1 2 325.437 3.636 20 0 EHADLO C[C@@H]1CCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072875921 1138108618 /nfs/dbraw/zinc/10/86/18/1138108618.db2.gz JEYVFQCMXCUPOY-GFCCVEGCSA-N 1 2 325.437 3.636 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000886723529 1138125885 /nfs/dbraw/zinc/12/58/85/1138125885.db2.gz BUEZSPMZRXEAOF-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)c(Cl)c1OC ZINC000076895242 1138135500 /nfs/dbraw/zinc/13/55/00/1138135500.db2.gz JRDOIXRZJQAGHX-UHFFFAOYSA-N 1 2 345.830 3.603 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1OC ZINC000079303291 1138155285 /nfs/dbraw/zinc/15/52/85/1138155285.db2.gz LJNVMAUXMBASCN-CHWSQXEVSA-N 1 2 333.432 3.930 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CCC(F)(F)F)n2)CC1 ZINC000079701317 1138157735 /nfs/dbraw/zinc/15/77/35/1138157735.db2.gz KAKBRXXKDPWNGW-UHFFFAOYSA-N 1 2 335.395 3.656 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cs1 ZINC000084135399 1138177962 /nfs/dbraw/zinc/17/79/62/1138177962.db2.gz JNYIRZZKZZCZGI-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cs1 ZINC000084135399 1138177965 /nfs/dbraw/zinc/17/79/65/1138177965.db2.gz JNYIRZZKZZCZGI-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cccc(-c2cccnc2)n1)n1cc[nH+]c1 ZINC000886980069 1138180378 /nfs/dbraw/zinc/18/03/78/1138180378.db2.gz IUYSEPZQLWALFF-QGZVFWFLSA-N 1 2 335.411 3.566 20 0 EHADLO Fc1ccc(OCc2nc(CSCCn3cc[nH+]c3)cs2)cc1 ZINC000090200294 1138210000 /nfs/dbraw/zinc/21/00/00/1138210000.db2.gz FJTLVKPPXXPOJF-UHFFFAOYSA-N 1 2 349.456 3.991 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@@H](C)c1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000091702185 1138220513 /nfs/dbraw/zinc/22/05/13/1138220513.db2.gz RRDLPVLAXQTCIG-CVEARBPZSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)[C@H](C)c1ccc(F)cc1 ZINC000091702185 1138220515 /nfs/dbraw/zinc/22/05/15/1138220515.db2.gz RRDLPVLAXQTCIG-CVEARBPZSA-N 1 2 343.446 3.823 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000091702354 1138220727 /nfs/dbraw/zinc/22/07/27/1138220727.db2.gz TVZGQLXGRXHLAE-YWZLYKJASA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000091702354 1138220729 /nfs/dbraw/zinc/22/07/29/1138220729.db2.gz TVZGQLXGRXHLAE-YWZLYKJASA-N 1 2 343.446 3.727 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000093769000 1138240601 /nfs/dbraw/zinc/24/06/01/1138240601.db2.gz JKNMIPKHNLMMSO-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000093769000 1138240602 /nfs/dbraw/zinc/24/06/02/1138240602.db2.gz JKNMIPKHNLMMSO-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768436 1138241084 /nfs/dbraw/zinc/24/10/84/1138241084.db2.gz BPJCAAUSPMBUIZ-QGZVFWFLSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768436 1138241085 /nfs/dbraw/zinc/24/10/85/1138241085.db2.gz BPJCAAUSPMBUIZ-QGZVFWFLSA-N 1 2 343.427 3.851 20 0 EHADLO Cc1cnccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121727215 1138249101 /nfs/dbraw/zinc/24/91/01/1138249101.db2.gz SBJVOXKVWKFTQE-RTBURBONSA-N 1 2 347.422 3.637 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122749869 1138261255 /nfs/dbraw/zinc/26/12/55/1138261255.db2.gz YFIFIUPTOLTLTA-DAYGRLMNSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@@H]1CCN(C(=O)CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000122777206 1138261658 /nfs/dbraw/zinc/26/16/58/1138261658.db2.gz SEIMYCHDGZTLMR-GDBMZVCRSA-N 1 2 347.459 3.614 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1C ZINC000887318725 1138263901 /nfs/dbraw/zinc/26/39/01/1138263901.db2.gz ZKYUPRTVPZNAKS-NVXWUHKLSA-N 1 2 329.444 3.665 20 0 EHADLO CCC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000333285651 1138273912 /nfs/dbraw/zinc/27/39/12/1138273912.db2.gz QLIBWPAWMJEGJP-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000282981536 1138278983 /nfs/dbraw/zinc/27/89/83/1138278983.db2.gz DLZGUHVZEHRVHR-GHMZBOCLSA-N 1 2 330.457 3.607 20 0 EHADLO Cc1cc(C)cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126127946 1138325144 /nfs/dbraw/zinc/32/51/44/1138325144.db2.gz XXYKNSUODQQUAP-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127238408 1138350588 /nfs/dbraw/zinc/35/05/88/1138350588.db2.gz BXZDJOPPPXYYSN-NHYWBVRUSA-N 1 2 336.798 3.791 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263753286 1138357151 /nfs/dbraw/zinc/35/71/51/1138357151.db2.gz KGNPTMMHRYNUKJ-UHFFFAOYSA-N 1 2 326.444 3.839 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127528033 1138361380 /nfs/dbraw/zinc/36/13/80/1138361380.db2.gz KDGZAARWSUUTBU-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127528033 1138361384 /nfs/dbraw/zinc/36/13/84/1138361384.db2.gz KDGZAARWSUUTBU-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[N@H+](CCc1c(F)cccc1Cl)Cc1nccn1CC(F)(F)F ZINC000264052838 1138411765 /nfs/dbraw/zinc/41/17/65/1138411765.db2.gz IKBJBYNGWYQYAS-UHFFFAOYSA-N 1 2 349.759 3.912 20 0 EHADLO C[N@@H+](CCc1c(F)cccc1Cl)Cc1nccn1CC(F)(F)F ZINC000264052838 1138411767 /nfs/dbraw/zinc/41/17/67/1138411767.db2.gz IKBJBYNGWYQYAS-UHFFFAOYSA-N 1 2 349.759 3.912 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCC2(C)C)C[C@H](C)O1 ZINC000264064418 1138413287 /nfs/dbraw/zinc/41/32/87/1138413287.db2.gz YANJDNHODBXAGH-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCC2(C)C)C[C@H](C)O1 ZINC000264064418 1138413288 /nfs/dbraw/zinc/41/32/88/1138413288.db2.gz YANJDNHODBXAGH-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO Cc1c2cc(C)ccc2sc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336935720 1138430659 /nfs/dbraw/zinc/43/06/59/1138430659.db2.gz FMNWVCBWUHQODQ-CQSZACIVSA-N 1 2 339.464 3.881 20 0 EHADLO Fc1ccc(Br)c(F)c1CSCCn1cc[nH+]c1 ZINC000336974295 1138439201 /nfs/dbraw/zinc/43/92/01/1138439201.db2.gz TWRCARNMJFLFAD-UHFFFAOYSA-N 1 2 333.201 3.857 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2(C)CCCC2)c1)[NH+]1CCOCC1 ZINC000264288566 1138464475 /nfs/dbraw/zinc/46/44/75/1138464475.db2.gz YEXSQRSYERIJRT-HNNXBMFYSA-N 1 2 331.460 3.534 20 0 EHADLO Cc1ccccc1C1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337101171 1138466228 /nfs/dbraw/zinc/46/62/28/1138466228.db2.gz VWJGASUYAWVYEU-UHFFFAOYSA-N 1 2 331.419 3.857 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337104520 1138466644 /nfs/dbraw/zinc/46/66/44/1138466644.db2.gz AJJWZBKLRSMKJU-SFHVURJKSA-N 1 2 337.448 3.874 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000130682007 1138468777 /nfs/dbraw/zinc/46/87/77/1138468777.db2.gz KXYIGTSQEQRXJS-SFHVURJKSA-N 1 2 335.455 3.608 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000130682007 1138468779 /nfs/dbraw/zinc/46/87/79/1138468779.db2.gz KXYIGTSQEQRXJS-SFHVURJKSA-N 1 2 335.455 3.608 20 0 EHADLO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(Br)o1 ZINC000130710900 1138471113 /nfs/dbraw/zinc/47/11/13/1138471113.db2.gz CZMNBOWUSBZEAV-UHFFFAOYSA-N 1 2 326.238 3.626 20 0 EHADLO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(Br)o1 ZINC000130710900 1138471114 /nfs/dbraw/zinc/47/11/14/1138471114.db2.gz CZMNBOWUSBZEAV-UHFFFAOYSA-N 1 2 326.238 3.626 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001212824738 1138474529 /nfs/dbraw/zinc/47/45/29/1138474529.db2.gz SBYJZMAQGZWWCT-UHFFFAOYSA-N 1 2 349.438 3.552 20 0 EHADLO CCCc1noc(C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000130773089 1138475603 /nfs/dbraw/zinc/47/56/03/1138475603.db2.gz KFUPKVBXZRHBTB-CQSZACIVSA-N 1 2 339.443 3.586 20 0 EHADLO CCCc1noc(C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000130773089 1138475612 /nfs/dbraw/zinc/47/56/12/1138475612.db2.gz KFUPKVBXZRHBTB-CQSZACIVSA-N 1 2 339.443 3.586 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000337171968 1138485019 /nfs/dbraw/zinc/48/50/19/1138485019.db2.gz GHDDICJOSMIYTC-MSOLQXFVSA-N 1 2 344.480 3.865 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000337171968 1138485021 /nfs/dbraw/zinc/48/50/21/1138485021.db2.gz GHDDICJOSMIYTC-MSOLQXFVSA-N 1 2 344.480 3.865 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000337213500 1138496974 /nfs/dbraw/zinc/49/69/74/1138496974.db2.gz CQJJEIVEVLDSJE-SECBINFHSA-N 1 2 331.363 3.747 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1F ZINC000337217554 1138498339 /nfs/dbraw/zinc/49/83/39/1138498339.db2.gz INJHWHXVFWDAIW-ZDUSSCGKSA-N 1 2 348.727 3.716 20 0 EHADLO CSc1ccsc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337223707 1138500045 /nfs/dbraw/zinc/50/00/45/1138500045.db2.gz DIONDXRXJIBNGA-UHFFFAOYSA-N 1 2 343.477 3.645 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)o1 ZINC000131216168 1138502834 /nfs/dbraw/zinc/50/28/34/1138502834.db2.gz CAJMXVKEKUWGQJ-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)o1 ZINC000131216168 1138502837 /nfs/dbraw/zinc/50/28/37/1138502837.db2.gz CAJMXVKEKUWGQJ-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO Fc1ccccc1[C@H]1CC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000264451943 1138521053 /nfs/dbraw/zinc/52/10/53/1138521053.db2.gz NDEHTRYSDGMLIS-LBPRGKRZSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1ccccc1[C@H]1CC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000264451943 1138521056 /nfs/dbraw/zinc/52/10/56/1138521056.db2.gz NDEHTRYSDGMLIS-LBPRGKRZSA-N 1 2 327.325 3.574 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3cc(F)cc(C)c3C2)c1 ZINC000337338376 1138538083 /nfs/dbraw/zinc/53/80/83/1138538083.db2.gz FQBIZOMFQFHBME-UHFFFAOYSA-N 1 2 349.409 3.827 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337471475 1138578905 /nfs/dbraw/zinc/57/89/05/1138578905.db2.gz WFKNQPMJBJKGSE-KRWDZBQOSA-N 1 2 347.462 3.886 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000337471475 1138578907 /nfs/dbraw/zinc/57/89/07/1138578907.db2.gz WFKNQPMJBJKGSE-KRWDZBQOSA-N 1 2 347.462 3.886 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3(C)CC3)n2)C1 ZINC000348451917 1138583063 /nfs/dbraw/zinc/58/30/63/1138583063.db2.gz HCUFZGBPCZYUGZ-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3(C)CC3)n2)C1 ZINC000348451917 1138583065 /nfs/dbraw/zinc/58/30/65/1138583065.db2.gz HCUFZGBPCZYUGZ-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO CCc1cccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000348453430 1138584005 /nfs/dbraw/zinc/58/40/05/1138584005.db2.gz GBAIQYOOSGOWHX-UHFFFAOYSA-N 1 2 346.434 3.634 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000337490717 1138584877 /nfs/dbraw/zinc/58/48/77/1138584877.db2.gz DWEHQKAIORFMRP-CNELAYHGSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000337490717 1138584879 /nfs/dbraw/zinc/58/48/79/1138584879.db2.gz DWEHQKAIORFMRP-CNELAYHGSA-N 1 2 336.361 3.777 20 0 EHADLO O=C(Nc1ccc2ccc(Cl)cc2n1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000337529614 1138596198 /nfs/dbraw/zinc/59/61/98/1138596198.db2.gz ZPPYKFJELRBQIZ-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO Fc1ccccc1CC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000264680687 1138602354 /nfs/dbraw/zinc/60/23/54/1138602354.db2.gz AGNQLNMDPKWWNK-UHFFFAOYSA-N 1 2 342.462 3.598 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264684726 1138603880 /nfs/dbraw/zinc/60/38/80/1138603880.db2.gz PKTNASDXWXWJQP-GDBMZVCRSA-N 1 2 329.469 3.687 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264684728 1138604128 /nfs/dbraw/zinc/60/41/28/1138604128.db2.gz PKTNASDXWXWJQP-GOEBONIOSA-N 1 2 329.469 3.687 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337606921 1138619354 /nfs/dbraw/zinc/61/93/54/1138619354.db2.gz VQRRQZWLGSGAMP-GZNCHQMQSA-N 1 2 349.478 3.529 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)CCn2cc[nH+]c2)C2CC2)cc1 ZINC000337650880 1138633627 /nfs/dbraw/zinc/63/36/27/1138633627.db2.gz KAMUTQOVYMWMCX-HXUWFJFHSA-N 1 2 325.456 3.739 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264785752 1138638799 /nfs/dbraw/zinc/63/87/99/1138638799.db2.gz ZTZKPXFAZJMFIE-HNNXBMFYSA-N 1 2 344.484 3.727 20 0 EHADLO C[C@@H]1CCN(c2ncnc3c4ccccc4oc32)C[C@@H]1n1cc[nH+]c1 ZINC000134093167 1138672210 /nfs/dbraw/zinc/67/22/10/1138672210.db2.gz NIOUASKVUOBHKK-HIFRSBDPSA-N 1 2 333.395 3.660 20 0 EHADLO c1csc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000337851518 1138682251 /nfs/dbraw/zinc/68/22/51/1138682251.db2.gz FXNHVKGERVCJTI-UHFFFAOYSA-N 1 2 338.480 3.971 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000337937629 1138701862 /nfs/dbraw/zinc/70/18/62/1138701862.db2.gz HEBYXYVHOOSFLA-TVQRCGJNSA-N 1 2 334.210 3.638 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265147575 1138745471 /nfs/dbraw/zinc/74/54/71/1138745471.db2.gz DPCRDAGOJOZECN-DYESRHJHSA-N 1 2 345.446 3.950 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)o1 ZINC000265152216 1138747048 /nfs/dbraw/zinc/74/70/48/1138747048.db2.gz LGAQYCMRCQGDDT-UHFFFAOYSA-N 1 2 345.729 3.611 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1noc2c1CCCC2 ZINC000338112380 1138754816 /nfs/dbraw/zinc/75/48/16/1138754816.db2.gz OTSCDDDAQDFFLH-UHFFFAOYSA-N 1 2 342.786 3.645 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000265231950 1138774838 /nfs/dbraw/zinc/77/48/38/1138774838.db2.gz HOPLVCBREAKPLK-SFHVURJKSA-N 1 2 325.456 3.830 20 0 EHADLO Cc1[nH+]ccn1CCCN(C)Cc1csc(-c2cccs2)n1 ZINC000136302227 1138793917 /nfs/dbraw/zinc/79/39/17/1138793917.db2.gz QSAYDEVEKOIEPK-UHFFFAOYSA-N 1 2 332.498 3.899 20 0 EHADLO CCOc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000338259586 1138804718 /nfs/dbraw/zinc/80/47/18/1138804718.db2.gz VIQPMMVYNPHLKW-SFHVURJKSA-N 1 2 344.842 3.525 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccc(C)n2)CC2CCC2)c(OC)c1 ZINC000338333865 1138838323 /nfs/dbraw/zinc/83/83/23/1138838323.db2.gz RLGCURWFXZPGBG-UHFFFAOYSA-N 1 2 341.455 3.605 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccc(C)n2)CC2CCC2)c(OC)c1 ZINC000338333865 1138838329 /nfs/dbraw/zinc/83/83/29/1138838329.db2.gz RLGCURWFXZPGBG-UHFFFAOYSA-N 1 2 341.455 3.605 20 0 EHADLO Cc1cc(N[C@@H](c2nccn2C)c2ccccc2F)nc(C2CC2)[nH+]1 ZINC000265398790 1138856805 /nfs/dbraw/zinc/85/68/05/1138856805.db2.gz XHSSFSOJMFBDOR-QGZVFWFLSA-N 1 2 337.402 3.737 20 0 EHADLO Cc1cc(N[C@H](c2nccn2C)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000265400468 1138858379 /nfs/dbraw/zinc/85/83/79/1138858379.db2.gz XXMQGQKBTILVTR-KRWDZBQOSA-N 1 2 337.402 3.737 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000338385035 1138877526 /nfs/dbraw/zinc/87/75/26/1138877526.db2.gz RKQSPNJUBGHLBI-ZDUSSCGKSA-N 1 2 340.452 3.802 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000338385035 1138877534 /nfs/dbraw/zinc/87/75/34/1138877534.db2.gz RKQSPNJUBGHLBI-ZDUSSCGKSA-N 1 2 340.452 3.802 20 0 EHADLO CCc1nc2cc(CNc3[nH+]c(C)nc4[nH]ccc43)ccc2n1C1CC1 ZINC000338486279 1138937668 /nfs/dbraw/zinc/93/76/68/1138937668.db2.gz BGIANVFNUBKIGH-UHFFFAOYSA-N 1 2 346.438 3.547 20 0 EHADLO O=C(CCCCc1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000887850034 1138962217 /nfs/dbraw/zinc/96/22/17/1138962217.db2.gz ZOFRMXACJWTUTO-UHFFFAOYSA-N 1 2 347.462 3.961 20 0 EHADLO C[C@H](CCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151602636 1139046725 /nfs/dbraw/zinc/04/67/25/1139046725.db2.gz GEDKIFQXIJVTAY-LMMKCTJWSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)oc1C ZINC000152521276 1139095411 /nfs/dbraw/zinc/09/54/11/1139095411.db2.gz PNKNWPIRTSGSTI-SFHVURJKSA-N 1 2 345.874 3.750 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000826682887 1139315816 /nfs/dbraw/zinc/31/58/16/1139315816.db2.gz RDWVIFGEUCRWPQ-HOJAQTOUSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000826682887 1139315822 /nfs/dbraw/zinc/31/58/22/1139315822.db2.gz RDWVIFGEUCRWPQ-HOJAQTOUSA-N 1 2 338.426 3.622 20 0 EHADLO C[C@H](c1ccco1)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264828 1139335330 /nfs/dbraw/zinc/33/53/30/1139335330.db2.gz JNDVYOVXGFYELV-NVXWUHKLSA-N 1 2 338.411 3.620 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000826696349 1139363765 /nfs/dbraw/zinc/36/37/65/1139363765.db2.gz NSLGEPHYZCYFGR-LBXVMSDZSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000826696349 1139363774 /nfs/dbraw/zinc/36/37/74/1139363774.db2.gz NSLGEPHYZCYFGR-LBXVMSDZSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@](C)(O)c1ccccc1 ZINC000174968186 1139453928 /nfs/dbraw/zinc/45/39/28/1139453928.db2.gz GUBUTRODZZLBLZ-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@](C)(O)c1ccccc1 ZINC000174968186 1139453929 /nfs/dbraw/zinc/45/39/29/1139453929.db2.gz GUBUTRODZZLBLZ-AWEZNQCLSA-N 1 2 330.375 3.501 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000175181795 1139470306 /nfs/dbraw/zinc/47/03/06/1139470306.db2.gz HXAALPPIZGVDLJ-ZWKOTPCHSA-N 1 2 342.487 3.546 20 0 EHADLO CCc1ccc2c(C[NH2+][C@@H](C)c3ncc(C)s3)cc(=O)oc2c1 ZINC000175258744 1139476650 /nfs/dbraw/zinc/47/66/50/1139476650.db2.gz ITTHLYKYMSTWKE-LBPRGKRZSA-N 1 2 328.437 3.971 20 0 EHADLO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cn2c1 ZINC000175393272 1139487166 /nfs/dbraw/zinc/48/71/66/1139487166.db2.gz YPNOSRBZVLEORN-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1ccc2nc(C[N@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cn2c1 ZINC000175393272 1139487173 /nfs/dbraw/zinc/48/71/73/1139487173.db2.gz YPNOSRBZVLEORN-OWJWWREXSA-N 1 2 341.480 3.573 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000175963978 1139530965 /nfs/dbraw/zinc/53/09/65/1139530965.db2.gz KALDGROQJCPYCL-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000176220305 1139545485 /nfs/dbraw/zinc/54/54/85/1139545485.db2.gz DQDXNBSVHKSEMP-MRXNPFEDSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1ncccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176530490 1139563670 /nfs/dbraw/zinc/56/36/70/1139563670.db2.gz JTHJTHWDJHXVLA-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1ncccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176530490 1139563677 /nfs/dbraw/zinc/56/36/77/1139563677.db2.gz JTHJTHWDJHXVLA-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(C)CCC2)C[C@H](C)O1 ZINC000176883211 1139584234 /nfs/dbraw/zinc/58/42/34/1139584234.db2.gz PIAJDSXXRYXOIZ-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(C)CCC2)C[C@H](C)O1 ZINC000176883211 1139584241 /nfs/dbraw/zinc/58/42/41/1139584241.db2.gz PIAJDSXXRYXOIZ-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO CC(C)(C)c1ncsc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177400985 1139618158 /nfs/dbraw/zinc/61/81/58/1139618158.db2.gz XFLPAHLIRKKSLD-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000177429353 1139619543 /nfs/dbraw/zinc/61/95/43/1139619543.db2.gz CHQFDELXQKDOHR-LJQANCHMSA-N 1 2 338.455 3.525 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc(-n3cccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000177610320 1139628652 /nfs/dbraw/zinc/62/86/52/1139628652.db2.gz BHZJWIIBPYKJDW-VQIMIIECSA-N 1 2 349.438 3.789 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178924182 1139725704 /nfs/dbraw/zinc/72/57/04/1139725704.db2.gz AWPDFRFQZOHJTM-DLBZAZTESA-N 1 2 329.488 3.503 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000179501597 1139760427 /nfs/dbraw/zinc/76/04/27/1139760427.db2.gz JTWXFRUEIRHLHQ-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000179501597 1139760433 /nfs/dbraw/zinc/76/04/33/1139760433.db2.gz JTWXFRUEIRHLHQ-CQSZACIVSA-N 1 2 346.862 3.724 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(OC(F)F)cc1 ZINC000179612500 1139768728 /nfs/dbraw/zinc/76/87/28/1139768728.db2.gz GXNGRCAWYRNLKM-JTQLQIEISA-N 1 2 325.359 3.819 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C2CC2)cc1 ZINC000179681586 1139774717 /nfs/dbraw/zinc/77/47/17/1139774717.db2.gz SOXAKEUDKYPVCQ-HXUWFJFHSA-N 1 2 334.423 3.517 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514100 1139839833 /nfs/dbraw/zinc/83/98/33/1139839833.db2.gz UXEUOVSBRTVLRM-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514100 1139839840 /nfs/dbraw/zinc/83/98/40/1139839840.db2.gz UXEUOVSBRTVLRM-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO CCCn1c(C)nnc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181258027 1139896031 /nfs/dbraw/zinc/89/60/31/1139896031.db2.gz NXEUUGHMDYESIE-UHFFFAOYSA-N 1 2 334.414 3.834 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000181421043 1139906141 /nfs/dbraw/zinc/90/61/41/1139906141.db2.gz STSPOEFRHQFRCO-CQSZACIVSA-N 1 2 341.846 3.783 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccc(O)c3)n2)cc1 ZINC000181533499 1139913249 /nfs/dbraw/zinc/91/32/49/1139913249.db2.gz KKRQYLLHJPDKEW-CHWSQXEVSA-N 1 2 339.395 3.863 20 0 EHADLO CC(C)(C)C(=O)N1CCC(CSc2[nH+]cc3ccccn32)CC1 ZINC000181732795 1139927775 /nfs/dbraw/zinc/92/77/75/1139927775.db2.gz DYYGJGNOLVCPHH-UHFFFAOYSA-N 1 2 331.485 3.711 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3csnn3)s2)cc1 ZINC000182232501 1139959380 /nfs/dbraw/zinc/95/93/80/1139959380.db2.gz KEWOZYVQAYFJDS-SNVBAGLBSA-N 1 2 346.481 3.829 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000182397977 1139969253 /nfs/dbraw/zinc/96/92/53/1139969253.db2.gz FWFOUDPEFBLMOJ-XJKSGUPXSA-N 1 2 347.846 3.659 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CCc1ccccc1 ZINC000182431845 1139971501 /nfs/dbraw/zinc/97/15/01/1139971501.db2.gz QPWPELQIAACABW-CYBMUJFWSA-N 1 2 344.402 3.587 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CCc1ccccc1 ZINC000182431845 1139971504 /nfs/dbraw/zinc/97/15/04/1139971504.db2.gz QPWPELQIAACABW-CYBMUJFWSA-N 1 2 344.402 3.587 20 0 EHADLO CC(C)C[C@@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182524160 1139977801 /nfs/dbraw/zinc/97/78/01/1139977801.db2.gz CTOUJQNBSPGXTJ-AWEZNQCLSA-N 1 2 344.484 3.658 20 0 EHADLO CC(C)C[C@@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182524160 1139977806 /nfs/dbraw/zinc/97/78/06/1139977806.db2.gz CTOUJQNBSPGXTJ-AWEZNQCLSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000184582643 1140109706 /nfs/dbraw/zinc/10/97/06/1140109706.db2.gz CUEMMUJZKSMMDQ-DYVFJYSZSA-N 1 2 331.460 3.648 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C)c1C)c1ccc(C)o1 ZINC000184634765 1140112968 /nfs/dbraw/zinc/11/29/68/1140112968.db2.gz OWZZTQYMIBLXAT-NVXWUHKLSA-N 1 2 330.428 3.509 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1Cl)c1ccc(C)o1 ZINC000184651764 1140113676 /nfs/dbraw/zinc/11/36/76/1140113676.db2.gz PWRWYOQSQZOKKG-HNNXBMFYSA-N 1 2 337.803 3.505 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)o1 ZINC000184826665 1140121727 /nfs/dbraw/zinc/12/17/27/1140121727.db2.gz SGSLNEGBELGIHQ-YJBOKZPZSA-N 1 2 344.455 3.763 20 0 EHADLO COCc1noc(C[NH2+][C@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000185392651 1140148768 /nfs/dbraw/zinc/14/87/68/1140148768.db2.gz MKHCRNSRWUHKQN-LLVKDONJSA-N 1 2 331.803 3.873 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)no1 ZINC000186427859 1140203203 /nfs/dbraw/zinc/20/32/03/1140203203.db2.gz DFVNPBJFAFBRGE-UHFFFAOYSA-N 1 2 341.411 3.533 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(COc3ccccc3)n[nH]1)CCC2 ZINC000186426622 1140203532 /nfs/dbraw/zinc/20/35/32/1140203532.db2.gz DPRBDONWQRZUIO-IBGZPJMESA-N 1 2 348.450 3.859 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCOc3ccccc32)no1 ZINC000186828594 1140223364 /nfs/dbraw/zinc/22/33/64/1140223364.db2.gz DKWSQVPGEJPPRY-QGZVFWFLSA-N 1 2 330.428 3.993 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)s1 ZINC000186838595 1140224104 /nfs/dbraw/zinc/22/41/04/1140224104.db2.gz QHVDKVKOSIKUJB-UHFFFAOYSA-N 1 2 332.469 3.983 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)s1 ZINC000186838595 1140224107 /nfs/dbraw/zinc/22/41/07/1140224107.db2.gz QHVDKVKOSIKUJB-UHFFFAOYSA-N 1 2 332.469 3.983 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(-c2ccncc2)ccc1OC)c1ccco1 ZINC000187277486 1140247617 /nfs/dbraw/zinc/24/76/17/1140247617.db2.gz BHZISZFGTKMDEN-SFHVURJKSA-N 1 2 338.407 3.828 20 0 EHADLO CCCc1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000187337061 1140250141 /nfs/dbraw/zinc/25/01/41/1140250141.db2.gz STKJJOLHFRUJAJ-UHFFFAOYSA-N 1 2 325.456 3.607 20 0 EHADLO FC(F)COCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000189090371 1140320230 /nfs/dbraw/zinc/32/02/30/1140320230.db2.gz ZLKJHYAIPXSRBO-AWEZNQCLSA-N 1 2 337.370 3.545 20 0 EHADLO FC(F)COCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000189090371 1140320236 /nfs/dbraw/zinc/32/02/36/1140320236.db2.gz ZLKJHYAIPXSRBO-AWEZNQCLSA-N 1 2 337.370 3.545 20 0 EHADLO Cc1ccc2cc(CNc3ccc[nH+]c3N3CCC(O)CC3)ccc2n1 ZINC000189407429 1140341552 /nfs/dbraw/zinc/34/15/52/1140341552.db2.gz MKUGNEBIGNFLGV-UHFFFAOYSA-N 1 2 348.450 3.511 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190544334 1140409341 /nfs/dbraw/zinc/40/93/41/1140409341.db2.gz LHVVOQDAWZOEGT-SUMWQHHRSA-N 1 2 346.862 3.692 20 0 EHADLO O=C1O[C@@H](CSCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000191030092 1140431653 /nfs/dbraw/zinc/43/16/53/1140431653.db2.gz IWHLUSUZRQCZBD-MRXNPFEDSA-N 1 2 328.437 3.591 20 0 EHADLO COc1ccnc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1OC ZINC000191060350 1140433476 /nfs/dbraw/zinc/43/34/76/1140433476.db2.gz AVFZWYMDYWLQOT-UHFFFAOYSA-N 1 2 348.393 3.936 20 0 EHADLO Cc1nn(C)c(Cl)c1CNc1ccc([N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192217459 1140511405 /nfs/dbraw/zinc/51/14/05/1140511405.db2.gz IYTKZMWSPZIQDP-XJKSGUPXSA-N 1 2 330.863 3.983 20 0 EHADLO Cc1nn(C)c(Cl)c1CNc1ccc([N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192217459 1140511411 /nfs/dbraw/zinc/51/14/11/1140511411.db2.gz IYTKZMWSPZIQDP-XJKSGUPXSA-N 1 2 330.863 3.983 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1OC ZINC000192251850 1140514666 /nfs/dbraw/zinc/51/46/66/1140514666.db2.gz ORAZBNKBOPESIQ-UHFFFAOYSA-N 1 2 349.862 3.660 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763037 1140549289 /nfs/dbraw/zinc/54/92/89/1140549289.db2.gz GJKWBVAMDZZNHE-CHWSQXEVSA-N 1 2 345.418 3.830 20 0 EHADLO Cc1ccc(NCc2cccc3[nH+]ccn32)cc1C(=O)N(C)C(C)C ZINC000193268620 1140568840 /nfs/dbraw/zinc/56/88/40/1140568840.db2.gz XYMSVZYCHGGNQR-UHFFFAOYSA-N 1 2 336.439 3.735 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)o1 ZINC000193664967 1140582662 /nfs/dbraw/zinc/58/26/62/1140582662.db2.gz SCNLLOFLVMIXCC-HNNXBMFYSA-N 1 2 337.803 3.587 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194129126 1140598666 /nfs/dbraw/zinc/59/86/66/1140598666.db2.gz BRABFAZLNIILSZ-WMZOPIPTSA-N 1 2 329.488 3.503 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266314483 1140667458 /nfs/dbraw/zinc/66/74/58/1140667458.db2.gz VBPSDRRFHCPJRN-QGZVFWFLSA-N 1 2 341.455 3.537 20 0 EHADLO CCC(CC)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000266514455 1140697554 /nfs/dbraw/zinc/69/75/54/1140697554.db2.gz CUZDHWBZGYILBH-UHFFFAOYSA-N 1 2 325.456 3.874 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000267131139 1140760603 /nfs/dbraw/zinc/76/06/03/1140760603.db2.gz DIQLWKQMGAMWBW-YWZLYKJASA-N 1 2 325.431 3.587 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000267419356 1140789256 /nfs/dbraw/zinc/78/92/56/1140789256.db2.gz CGDVULWJJIGLSR-UHFFFAOYSA-N 1 2 348.476 3.576 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267585566 1140806794 /nfs/dbraw/zinc/80/67/94/1140806794.db2.gz OCOPOMQAWBWBCQ-UWJYYQICSA-N 1 2 345.446 3.950 20 0 EHADLO CSc1cc(C)ccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268173737 1140897290 /nfs/dbraw/zinc/89/72/90/1140897290.db2.gz TWJYRYZIWLQVIN-OAHLLOKOSA-N 1 2 344.484 3.529 20 0 EHADLO CC(C)OCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268369268 1140928894 /nfs/dbraw/zinc/92/88/94/1140928894.db2.gz JRMPLJIABZLFJO-APWZRJJASA-N 1 2 341.455 3.531 20 0 EHADLO CC(C)[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000269627127 1141128864 /nfs/dbraw/zinc/12/88/64/1141128864.db2.gz UDWCHVANABDGJQ-INIZCTEOSA-N 1 2 339.361 3.806 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F ZINC000269754649 1141141245 /nfs/dbraw/zinc/14/12/45/1141141245.db2.gz TYPRVWTYKQXMQZ-STQMWFEESA-N 1 2 333.382 3.588 20 0 EHADLO CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccco1 ZINC000270103201 1141179706 /nfs/dbraw/zinc/17/97/06/1141179706.db2.gz CXENFEATRLSAIC-UHFFFAOYSA-N 1 2 330.413 3.562 20 0 EHADLO CC(C)Cc1noc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000270385348 1141215940 /nfs/dbraw/zinc/21/59/40/1141215940.db2.gz DXEDXOJBISHXGD-UHFFFAOYSA-N 1 2 349.438 3.795 20 0 EHADLO CC(C)c1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)on1 ZINC000270477757 1141229015 /nfs/dbraw/zinc/22/90/15/1141229015.db2.gz NVBILHJJNQHLOO-UHFFFAOYSA-N 1 2 348.406 3.966 20 0 EHADLO CC(C)c1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000270722475 1141262210 /nfs/dbraw/zinc/26/22/10/1141262210.db2.gz ROUJRIQADSMIAT-UHFFFAOYSA-N 1 2 348.406 3.966 20 0 EHADLO Clc1cc(NCc2ccccc2Cn2cc[nH+]c2)nc(C2CC2)n1 ZINC000271004880 1141292314 /nfs/dbraw/zinc/29/23/14/1141292314.db2.gz YZGNQLZRODPMJA-UHFFFAOYSA-N 1 2 339.830 3.864 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1sccc1OC ZINC000271045252 1141299282 /nfs/dbraw/zinc/29/92/82/1141299282.db2.gz QITAQJBDJLMSSA-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1sccc1OC ZINC000271045252 1141299286 /nfs/dbraw/zinc/29/92/86/1141299286.db2.gz QITAQJBDJLMSSA-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000271050954 1141300500 /nfs/dbraw/zinc/30/05/00/1141300500.db2.gz PLRPNFZVCVKKHJ-UHFFFAOYSA-N 1 2 346.368 3.581 20 0 EHADLO CC(C)(C)c1nc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000271095878 1141306681 /nfs/dbraw/zinc/30/66/81/1141306681.db2.gz YVMZJHKLMYEHFC-UHFFFAOYSA-N 1 2 349.438 3.894 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000271226698 1141328696 /nfs/dbraw/zinc/32/86/96/1141328696.db2.gz AXGXZWGPAIMBLH-INIZCTEOSA-N 1 2 337.345 3.560 20 0 EHADLO O=C(Nc1ccccc1OC1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271325727 1141345418 /nfs/dbraw/zinc/34/54/18/1141345418.db2.gz QBIARVXEYPGKAS-UHFFFAOYSA-N 1 2 348.406 3.841 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(OC)c3)n2)cc1 ZINC000271608033 1141405844 /nfs/dbraw/zinc/40/58/44/1141405844.db2.gz AXJTZEPERCSVQX-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271647640 1141411784 /nfs/dbraw/zinc/41/17/84/1141411784.db2.gz DNBDKTXAUXOPIT-STQMWFEESA-N 1 2 348.393 3.501 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(OC)cc3)n2)cc1 ZINC000271693967 1141419607 /nfs/dbraw/zinc/41/96/07/1141419607.db2.gz REZAYEDQAUFBCR-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nc2ccc(Cl)cc2n1C ZINC000271697346 1141420990 /nfs/dbraw/zinc/42/09/90/1141420990.db2.gz LCXNWLQYWPMTDA-QMTHXVAHSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1nc2ccc(Cl)cc2n1C ZINC000271697346 1141420994 /nfs/dbraw/zinc/42/09/94/1141420994.db2.gz LCXNWLQYWPMTDA-QMTHXVAHSA-N 1 2 329.835 3.678 20 0 EHADLO CC(C)c1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)no1 ZINC000274208748 1141485585 /nfs/dbraw/zinc/48/55/85/1141485585.db2.gz PUCHQEIBDGANTD-ZDUSSCGKSA-N 1 2 348.472 3.770 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC(F)F ZINC000274208899 1141485635 /nfs/dbraw/zinc/48/56/35/1141485635.db2.gz MMPWQLSYBDVAAP-BDAKNGLRSA-N 1 2 343.399 3.868 20 0 EHADLO COCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccco1 ZINC000274292267 1141493964 /nfs/dbraw/zinc/49/39/64/1141493964.db2.gz HBPMKSGBNCBKEG-AWEZNQCLSA-N 1 2 329.425 3.666 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1nnc2ccccn21 ZINC000339220546 1141532104 /nfs/dbraw/zinc/53/21/04/1141532104.db2.gz OWVLCTGMVGZHKQ-MRXNPFEDSA-N 1 2 330.819 3.575 20 0 EHADLO Cc1nc2ccccc2n1C[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000339223785 1141533571 /nfs/dbraw/zinc/53/35/71/1141533571.db2.gz VIGAKDKQKANJIO-QGZVFWFLSA-N 1 2 347.466 3.990 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1O ZINC000348525628 1141545481 /nfs/dbraw/zinc/54/54/81/1141545481.db2.gz OSTGLZBOXILBSU-NSHDSACASA-N 1 2 345.424 3.705 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1O ZINC000348525628 1141545482 /nfs/dbraw/zinc/54/54/82/1141545482.db2.gz OSTGLZBOXILBSU-NSHDSACASA-N 1 2 345.424 3.705 20 0 EHADLO NC(=O)C[N@H+](Cc1ccc(-c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000348538394 1141547891 /nfs/dbraw/zinc/54/78/91/1141547891.db2.gz OTMIZIFRUOKVFG-UHFFFAOYSA-N 1 2 338.382 3.573 20 0 EHADLO NC(=O)C[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000348538394 1141547895 /nfs/dbraw/zinc/54/78/95/1141547895.db2.gz OTMIZIFRUOKVFG-UHFFFAOYSA-N 1 2 338.382 3.573 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348573304 1141553460 /nfs/dbraw/zinc/55/34/60/1141553460.db2.gz DVIZYXUNBLGCLL-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348573304 1141553462 /nfs/dbraw/zinc/55/34/62/1141553462.db2.gz DVIZYXUNBLGCLL-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO COc1ccccc1COC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC000283141352 1141560883 /nfs/dbraw/zinc/56/08/83/1141560883.db2.gz NYQVELNDYIBZHR-CYBMUJFWSA-N 1 2 347.484 3.597 20 0 EHADLO Cc1cc(Br)cn2c(CN3CCC[C@H]3C(F)F)c[nH+]c12 ZINC000348837444 1141592461 /nfs/dbraw/zinc/59/24/61/1141592461.db2.gz IEOMBZHEACWZEW-LBPRGKRZSA-N 1 2 344.203 3.635 20 0 EHADLO C[N@H+](CCSC1CCCCC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000283424768 1141621722 /nfs/dbraw/zinc/62/17/22/1141621722.db2.gz WMZPQCVETHWXKD-UHFFFAOYSA-N 1 2 341.542 3.588 20 0 EHADLO C[N@@H+](CCSC1CCCCC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000283424768 1141621723 /nfs/dbraw/zinc/62/17/23/1141621723.db2.gz WMZPQCVETHWXKD-UHFFFAOYSA-N 1 2 341.542 3.588 20 0 EHADLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000098068702 219077973 /nfs/dbraw/zinc/07/79/73/219077973.db2.gz SPLXYGMVMLBCAD-UHFFFAOYSA-N 1 2 347.415 3.800 20 0 EHADLO CCOC(=O)CCc1cc(N[C@H](C)c2ccc(Cl)cn2)nc(C)[nH+]1 ZINC000601164988 478701233 /nfs/dbraw/zinc/70/12/33/478701233.db2.gz ZFSJKTGLCRMIOC-LLVKDONJSA-N 1 2 348.834 3.502 20 0 EHADLO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1nccs1 ZINC000041012812 518218160 /nfs/dbraw/zinc/21/81/60/518218160.db2.gz MBLRBSJHDFWDMF-GFCCVEGCSA-N 1 2 339.258 3.909 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c(C)[nH+]1 ZINC000455543128 563992609 /nfs/dbraw/zinc/99/26/09/563992609.db2.gz ZZWHGKQSSLUHTN-GFCCVEGCSA-N 1 2 345.365 3.580 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c(C)[nH+]1 ZINC000572277793 564051082 /nfs/dbraw/zinc/05/10/82/564051082.db2.gz RFAGNGXFXIQZFX-SFHVURJKSA-N 1 2 343.471 3.820 20 0 EHADLO Fc1ccc2oc(CN3CCC[C@@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000328621361 564136966 /nfs/dbraw/zinc/13/69/66/564136966.db2.gz AJLZKDVSNGPISY-MRXNPFEDSA-N 1 2 340.402 3.906 20 0 EHADLO C[C@H](CN(C)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccccc1 ZINC000820252786 599520588 /nfs/dbraw/zinc/52/05/88/599520588.db2.gz DSYJZNWZIQLFPQ-CQSZACIVSA-N 1 2 344.422 3.655 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259581 601638301 /nfs/dbraw/zinc/63/83/01/601638301.db2.gz YNSUNFKKLNRCOJ-DOTOQJQBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259581 601638302 /nfs/dbraw/zinc/63/83/02/601638302.db2.gz YNSUNFKKLNRCOJ-DOTOQJQBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259581 601638304 /nfs/dbraw/zinc/63/83/04/601638304.db2.gz YNSUNFKKLNRCOJ-DOTOQJQBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259581 601638306 /nfs/dbraw/zinc/63/83/06/601638306.db2.gz YNSUNFKKLNRCOJ-DOTOQJQBSA-N 1 2 348.462 3.610 20 0 EHADLO O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000833313329 601641197 /nfs/dbraw/zinc/64/11/97/601641197.db2.gz UDSQIFFYBBZFJU-QGZVFWFLSA-N 1 2 348.462 3.612 20 0 EHADLO O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000833313329 601641199 /nfs/dbraw/zinc/64/11/99/601641199.db2.gz UDSQIFFYBBZFJU-QGZVFWFLSA-N 1 2 348.462 3.612 20 0 EHADLO c1cnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823808643 606431541 /nfs/dbraw/zinc/43/15/41/606431541.db2.gz CKTGYRFOUQFQKY-UHFFFAOYSA-N 1 2 335.415 3.607 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CC1 ZINC000824770094 608518318 /nfs/dbraw/zinc/51/83/18/608518318.db2.gz DPSFOBPARXFUQJ-LLVKDONJSA-N 1 2 343.818 3.839 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CC1 ZINC000824770094 608518320 /nfs/dbraw/zinc/51/83/20/608518320.db2.gz DPSFOBPARXFUQJ-LLVKDONJSA-N 1 2 343.818 3.839 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826269064 609346734 /nfs/dbraw/zinc/34/67/34/609346734.db2.gz ZBBVRTXBEQMTDL-GFCCVEGCSA-N 1 2 340.406 3.553 20 0 EHADLO COc1ccccc1-n1c2ccccc2[nH+]c1NCc1c[nH]nc1C ZINC000195152773 1032059522 /nfs/dbraw/zinc/05/95/22/1032059522.db2.gz JIKQRVNRJUQUJI-UHFFFAOYSA-N 1 2 333.395 3.678 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528315027 1032059604 /nfs/dbraw/zinc/05/96/04/1032059604.db2.gz DNZKWMQGYUNDJN-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001595244966 949511000 /nfs/dbraw/zinc/51/10/00/949511000.db2.gz JKCPOOFLPIKOKF-UXHICEINSA-N 1 2 347.418 3.600 20 0 EHADLO COc1ccc(C2([NH2+]Cc3cccc(O)c3Br)CC2)cc1 ZINC000459396400 1032061807 /nfs/dbraw/zinc/06/18/07/1032061807.db2.gz CNDMMVLWKIOWIQ-UHFFFAOYSA-N 1 2 348.240 3.942 20 0 EHADLO CCC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000278706015 1032072002 /nfs/dbraw/zinc/07/20/02/1032072002.db2.gz BPQMNMZHPNDLCQ-CQSZACIVSA-N 1 2 339.361 3.937 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449037095 1032079750 /nfs/dbraw/zinc/07/97/50/1032079750.db2.gz MDVNWZFEZQZCRS-GOSISDBHSA-N 1 2 338.407 3.954 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449037095 1032079758 /nfs/dbraw/zinc/07/97/58/1032079758.db2.gz MDVNWZFEZQZCRS-GOSISDBHSA-N 1 2 338.407 3.954 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(-c4ccccc4F)c3C)ccc2[nH+]1 ZINC000339267493 1014133125 /nfs/dbraw/zinc/13/31/25/1014133125.db2.gz AAJSDFDEBCQJLU-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000339269577 1014135890 /nfs/dbraw/zinc/13/58/90/1014135890.db2.gz UQKJEHQGKUVVHG-UHFFFAOYSA-N 1 2 339.826 3.897 20 0 EHADLO O=C(CCc1ccc(Cl)s1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000044525527 1014157831 /nfs/dbraw/zinc/15/78/31/1014157831.db2.gz CMBVTYICGZZJKP-UHFFFAOYSA-N 1 2 349.887 3.514 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000654710707 1014206288 /nfs/dbraw/zinc/20/62/88/1014206288.db2.gz KKYOWOIKVYQUPT-JSGCOSHPSA-N 1 2 340.418 3.513 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000274550079 1014214649 /nfs/dbraw/zinc/21/46/49/1014214649.db2.gz DETAJNMGUOKVSW-SNVBAGLBSA-N 1 2 349.422 3.604 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000339364014 1014282362 /nfs/dbraw/zinc/28/23/62/1014282362.db2.gz VPZDSHFOXVXXER-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)s1 ZINC000579764894 1014419682 /nfs/dbraw/zinc/41/96/82/1014419682.db2.gz OOJWFKPRBQSADB-UHFFFAOYSA-N 1 2 330.453 3.814 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)s1 ZINC000579764894 1014419687 /nfs/dbraw/zinc/41/96/87/1014419687.db2.gz OOJWFKPRBQSADB-UHFFFAOYSA-N 1 2 330.453 3.814 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1Cl ZINC001143372725 1014539271 /nfs/dbraw/zinc/53/92/71/1014539271.db2.gz LISUMDGTCDTNJL-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1Cl ZINC001143372725 1014539275 /nfs/dbraw/zinc/53/92/75/1014539275.db2.gz LISUMDGTCDTNJL-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO C[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000339469898 1014545231 /nfs/dbraw/zinc/54/52/31/1014545231.db2.gz QOMCMXHDJMKGQQ-DNVCBOLYSA-N 1 2 333.435 3.693 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339476219 1014550534 /nfs/dbraw/zinc/55/05/34/1014550534.db2.gz LTIQAOPCOKIZMR-QWHCGFSZSA-N 1 2 349.887 3.570 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000153928492 1014575994 /nfs/dbraw/zinc/57/59/94/1014575994.db2.gz CKLQGBARLIVIEY-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cc(O)ccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000153928492 1014576001 /nfs/dbraw/zinc/57/60/01/1014576001.db2.gz CKLQGBARLIVIEY-LJQANCHMSA-N 1 2 342.414 3.833 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000646883572 1014671932 /nfs/dbraw/zinc/67/19/32/1014671932.db2.gz FEPPQLKVYYEQAY-VKJFTORMSA-N 1 2 341.455 3.601 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccns2)CC1 ZINC000889092635 1014782876 /nfs/dbraw/zinc/78/28/76/1014782876.db2.gz KTDXHGBPSVXGGB-OAHLLOKOSA-N 1 2 348.447 3.583 20 0 EHADLO Cc1nsc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339548126 1014805888 /nfs/dbraw/zinc/80/58/88/1014805888.db2.gz ISXBDMNTPWQKEB-UHFFFAOYSA-N 1 2 332.816 3.851 20 0 EHADLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538016321 1032104576 /nfs/dbraw/zinc/10/45/76/1032104576.db2.gz ZUUQGFOVLLINBE-IUIKQTSFSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538016321 1032104580 /nfs/dbraw/zinc/10/45/80/1032104580.db2.gz ZUUQGFOVLLINBE-IUIKQTSFSA-N 1 2 341.858 3.712 20 0 EHADLO CC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCCCC1 ZINC000683198233 1014898157 /nfs/dbraw/zinc/89/81/57/1014898157.db2.gz HZIIFHJPYLGYLR-FQEVSTJZSA-N 1 2 344.499 3.608 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000655070826 1014917752 /nfs/dbraw/zinc/91/77/52/1014917752.db2.gz MJTDXQNHBBIOJN-HNNXBMFYSA-N 1 2 337.448 3.665 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000655070185 1014920114 /nfs/dbraw/zinc/92/01/14/1014920114.db2.gz DABQTNJGKUHYCJ-LBPRGKRZSA-N 1 2 349.837 3.820 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000655070185 1014920122 /nfs/dbraw/zinc/92/01/22/1014920122.db2.gz DABQTNJGKUHYCJ-LBPRGKRZSA-N 1 2 349.837 3.820 20 0 EHADLO CCC(CC)[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547673622 1014975402 /nfs/dbraw/zinc/97/54/02/1014975402.db2.gz JKNOZLJYTHXBHC-YOEHRIQHSA-N 1 2 346.500 3.736 20 0 EHADLO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000070754298 1015209828 /nfs/dbraw/zinc/20/98/28/1015209828.db2.gz DDCOKYYLAIUYDC-VQIMIIECSA-N 1 2 328.456 3.993 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ncnn2CC(C)C)cc1 ZINC000182598299 1032113034 /nfs/dbraw/zinc/11/30/34/1032113034.db2.gz JNLUGNSRZYYOQG-SFHVURJKSA-N 1 2 328.460 3.670 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ncnn2CC(C)C)cc1 ZINC000182598299 1032113036 /nfs/dbraw/zinc/11/30/36/1032113036.db2.gz JNLUGNSRZYYOQG-SFHVURJKSA-N 1 2 328.460 3.670 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1F ZINC000471173042 1015256484 /nfs/dbraw/zinc/25/64/84/1015256484.db2.gz OELDMOMHFSBXFV-UXBLZVDNSA-N 1 2 338.426 3.605 20 0 EHADLO Cc1ccc2oc(C[NH2+]Cc3c(Br)cnn3C)cc2c1 ZINC000579860538 1015365469 /nfs/dbraw/zinc/36/54/69/1015365469.db2.gz LEKONBCHFLLHSN-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430255046 1015385868 /nfs/dbraw/zinc/38/58/68/1015385868.db2.gz HTIRTWWYQVFGRG-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430255046 1015385873 /nfs/dbraw/zinc/38/58/73/1015385873.db2.gz HTIRTWWYQVFGRG-DEYYWGMASA-N 1 2 339.863 3.507 20 0 EHADLO Cc1[nH+]cc(CN(C)CC(=O)Nc2ccc(C)cc2)n1-c1ccccc1 ZINC000179533140 1015436238 /nfs/dbraw/zinc/43/62/38/1015436238.db2.gz ADILXNTWSKCMHM-UHFFFAOYSA-N 1 2 348.450 3.560 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)ccc1F ZINC000153504103 1125506037 /nfs/dbraw/zinc/50/60/37/1125506037.db2.gz AWWRWURHNOYZPE-GFCCVEGCSA-N 1 2 325.387 3.937 20 0 EHADLO CCc1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798350 989365443 /nfs/dbraw/zinc/36/54/43/989365443.db2.gz BLHBMPURNZJGPH-CVEARBPZSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798350 989365450 /nfs/dbraw/zinc/36/54/50/989365450.db2.gz BLHBMPURNZJGPH-CVEARBPZSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798350 989365460 /nfs/dbraw/zinc/36/54/60/989365460.db2.gz BLHBMPURNZJGPH-CVEARBPZSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC001597798350 989365470 /nfs/dbraw/zinc/36/54/70/989365470.db2.gz BLHBMPURNZJGPH-CVEARBPZSA-N 1 2 348.487 3.627 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc(N(C)C)s3)[C@@H](C)CO2)c1 ZINC000536678220 1032118432 /nfs/dbraw/zinc/11/84/32/1032118432.db2.gz ITCAUKMYYFXICR-MAUKXSAKSA-N 1 2 345.512 3.788 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc(N(C)C)s3)[C@@H](C)CO2)c1 ZINC000536678220 1032118419 /nfs/dbraw/zinc/11/84/19/1032118419.db2.gz ITCAUKMYYFXICR-MAUKXSAKSA-N 1 2 345.512 3.788 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(F)c3Br)ccc2[nH+]1 ZINC000339691185 1015539311 /nfs/dbraw/zinc/53/93/11/1015539311.db2.gz KXQKILBZXQWPQL-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O=C(/C=C/c1ccc2ccccc2n1)NCCCCNc1cccc[nH+]1 ZINC000109281675 1015592915 /nfs/dbraw/zinc/59/29/15/1015592915.db2.gz WLJDIUNPLFBQHH-OUKQBFOZSA-N 1 2 346.434 3.652 20 0 EHADLO COc1ccc2sc(C(=O)N(C)CCCn3cc[nH+]c3)c(C)c2c1 ZINC000154761953 1015801053 /nfs/dbraw/zinc/80/10/53/1015801053.db2.gz ZXELJJCRVDJVCV-UHFFFAOYSA-N 1 2 343.452 3.577 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc[nH]c1C1CC1 ZINC000339892647 1015840097 /nfs/dbraw/zinc/84/00/97/1015840097.db2.gz RHLYWOLEZJYNCN-UHFFFAOYSA-N 1 2 326.787 3.984 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(OC(F)F)c2ncccc12)n1cc[nH+]c1 ZINC001125313465 1016063841 /nfs/dbraw/zinc/06/38/41/1016063841.db2.gz UKNRJTTWDVCDLC-LLVKDONJSA-N 1 2 346.337 3.623 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1cncc(F)c1 ZINC000275166319 1016105672 /nfs/dbraw/zinc/10/56/72/1016105672.db2.gz VTRASWVMEWLDPR-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000275166319 1016105678 /nfs/dbraw/zinc/10/56/78/1016105678.db2.gz VTRASWVMEWLDPR-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1cc(NCc2ccc(-c3ncon3)cc2)cc(OC(F)F)[nH+]1 ZINC001167117607 1016108025 /nfs/dbraw/zinc/10/80/25/1016108025.db2.gz LHCJYUCTWKXTIT-UHFFFAOYSA-N 1 2 332.310 3.654 20 0 EHADLO CCC[N@H+](CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000047496574 1016131113 /nfs/dbraw/zinc/13/11/13/1016131113.db2.gz NKPNMVPABRUWTM-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO CCC[N@@H+](CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000047496574 1016131122 /nfs/dbraw/zinc/13/11/22/1016131122.db2.gz NKPNMVPABRUWTM-UHFFFAOYSA-N 1 2 340.876 3.580 20 0 EHADLO C[C@@H]1CC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000183177580 1032140498 /nfs/dbraw/zinc/14/04/98/1032140498.db2.gz IMILIHWDTPRPJY-HOTGVXAUSA-N 1 2 325.456 3.620 20 0 EHADLO COC[C@@H](C)N(Cc1cccc(OC)c1)c1cc(SC)cc[nH+]1 ZINC001167120710 1016142782 /nfs/dbraw/zinc/14/27/82/1016142782.db2.gz UKOQFPRWKHSNJR-CQSZACIVSA-N 1 2 332.469 3.854 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000047514535 1016145518 /nfs/dbraw/zinc/14/55/18/1016145518.db2.gz AYBJVTBENXRQAZ-UHFFFAOYSA-N 1 2 339.420 3.844 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000151819277 1032142467 /nfs/dbraw/zinc/14/24/67/1032142467.db2.gz MMZCQXZANXOSMP-FZMZJTMJSA-N 1 2 349.887 3.815 20 0 EHADLO C[C@H]1[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC[C@H]1CC(=O)[O-] ZINC001594183383 998707978 /nfs/dbraw/zinc/70/79/78/998707978.db2.gz SRMRSKXRDCFFLG-NZSAHSFTSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@H]1[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC[C@H]1CC(=O)[O-] ZINC001594183383 998707979 /nfs/dbraw/zinc/70/79/79/998707979.db2.gz SRMRSKXRDCFFLG-NZSAHSFTSA-N 1 2 344.499 3.520 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143377501 1016275830 /nfs/dbraw/zinc/27/58/30/1016275830.db2.gz XOIDAYSBTIXRPG-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143377501 1016275839 /nfs/dbraw/zinc/27/58/39/1016275839.db2.gz XOIDAYSBTIXRPG-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000510183016 1016355565 /nfs/dbraw/zinc/35/55/65/1016355565.db2.gz TZAPJOWPMZKHCB-UHFFFAOYSA-N 1 2 348.899 3.976 20 0 EHADLO Fc1ccc(F)c(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430329045 1016382342 /nfs/dbraw/zinc/38/23/42/1016382342.db2.gz GHYFTUZNUANPJY-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO Fc1ccc(F)c(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430329045 1016382356 /nfs/dbraw/zinc/38/23/56/1016382356.db2.gz GHYFTUZNUANPJY-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762506 1016448486 /nfs/dbraw/zinc/44/84/86/1016448486.db2.gz BUOOVTLCFKGXEK-DLBZAZTESA-N 1 2 341.455 3.825 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762506 1016448494 /nfs/dbraw/zinc/44/84/94/1016448494.db2.gz BUOOVTLCFKGXEK-DLBZAZTESA-N 1 2 341.455 3.825 20 0 EHADLO Cc1cccc(-c2cnc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)s2)c1 ZINC000376564091 1016485504 /nfs/dbraw/zinc/48/55/04/1016485504.db2.gz CDNTXWPNPAKUSU-ZDUSSCGKSA-N 1 2 338.436 3.900 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000165917722 1016554594 /nfs/dbraw/zinc/55/45/94/1016554594.db2.gz KYNXCYCAAMTOBF-CYBMUJFWSA-N 1 2 337.876 3.797 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000165917722 1016554601 /nfs/dbraw/zinc/55/46/01/1016554601.db2.gz KYNXCYCAAMTOBF-CYBMUJFWSA-N 1 2 337.876 3.797 20 0 EHADLO c1ccc(CSc2cc[nH+]c(N3CC[C@H]4OCC[C@H]4C3)c2)cc1 ZINC001167219411 1016627012 /nfs/dbraw/zinc/62/70/12/1016627012.db2.gz XZYHDJLXUGPBRI-FUHWJXTLSA-N 1 2 326.465 3.989 20 0 EHADLO Cc1cccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c1F ZINC001137680035 1016663340 /nfs/dbraw/zinc/66/33/40/1016663340.db2.gz IJCSWSFOZHSJRH-SFHVURJKSA-N 1 2 340.414 3.573 20 0 EHADLO Cc1cccc(C[N@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c1F ZINC001137680035 1016663351 /nfs/dbraw/zinc/66/33/51/1016663351.db2.gz IJCSWSFOZHSJRH-SFHVURJKSA-N 1 2 340.414 3.573 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197708 1016679969 /nfs/dbraw/zinc/67/99/69/1016679969.db2.gz ACUIOSOBYAPZBK-SMDDNHRTSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197708 1016679977 /nfs/dbraw/zinc/67/99/77/1016679977.db2.gz ACUIOSOBYAPZBK-SMDDNHRTSA-N 1 2 330.375 3.574 20 0 EHADLO CN(Cc1cc(Cl)ccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683407038 1016734947 /nfs/dbraw/zinc/73/49/47/1016734947.db2.gz UMIATQCJSFQVST-UHFFFAOYSA-N 1 2 332.766 3.791 20 0 EHADLO C[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000340250157 1016785843 /nfs/dbraw/zinc/78/58/43/1016785843.db2.gz HWDCOHPXQNCFJY-DIFFPNOSSA-N 1 2 346.356 3.705 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000046341633 1016851808 /nfs/dbraw/zinc/85/18/08/1016851808.db2.gz HMAGDBFIHGYBIT-KBPBESRZSA-N 1 2 344.480 3.918 20 0 EHADLO CCOCOc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000782963480 1016876767 /nfs/dbraw/zinc/87/67/67/1016876767.db2.gz KJZYHSJABQQLNE-UHFFFAOYSA-N 1 2 327.428 3.667 20 0 EHADLO COc1cc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc2ccccc21 ZINC000890794281 1016881748 /nfs/dbraw/zinc/88/17/48/1016881748.db2.gz QSSDPLNUCVBTSW-FSPWUOQZSA-N 1 2 349.434 3.563 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000247189759 1016948536 /nfs/dbraw/zinc/94/85/36/1016948536.db2.gz BPOGYQFAIDIGEJ-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000247189759 1016948549 /nfs/dbraw/zinc/94/85/49/1016948549.db2.gz BPOGYQFAIDIGEJ-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO CC(C)O[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000431835386 1016988637 /nfs/dbraw/zinc/98/86/37/1016988637.db2.gz OVVFIVDQGUWJJR-LJQANCHMSA-N 1 2 335.407 3.977 20 0 EHADLO Cc1ccc([C@H](CC(F)(F)F)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001267612891 1017031971 /nfs/dbraw/zinc/03/19/71/1017031971.db2.gz BDBHMQSELLFSAY-ZFWWWQNUSA-N 1 2 339.361 3.953 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cnc3ccccc3n2)C2CC2)c1 ZINC000659813896 1017055272 /nfs/dbraw/zinc/05/52/72/1017055272.db2.gz YVQQNBOIGRVSQJ-UHFFFAOYSA-N 1 2 349.434 3.812 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cnc3ccccc3n2)C2CC2)c1 ZINC000659813896 1017055286 /nfs/dbraw/zinc/05/52/86/1017055286.db2.gz YVQQNBOIGRVSQJ-UHFFFAOYSA-N 1 2 349.434 3.812 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000340370671 1017056010 /nfs/dbraw/zinc/05/60/10/1017056010.db2.gz NIKAKCPLHZJNPE-PIMMBPRGSA-N 1 2 334.489 3.529 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccn1 ZINC000528355302 1032162746 /nfs/dbraw/zinc/16/27/46/1032162746.db2.gz OBBUVUFTBKMPEO-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccn1 ZINC000528355302 1032162748 /nfs/dbraw/zinc/16/27/48/1032162748.db2.gz OBBUVUFTBKMPEO-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000459482612 1032175681 /nfs/dbraw/zinc/17/56/81/1032175681.db2.gz YBYGCYSABQDMCQ-QGZVFWFLSA-N 1 2 345.443 3.857 20 0 EHADLO C[C@@H]1C[C@H](NCc2ccc(O)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379625608 1032182348 /nfs/dbraw/zinc/18/23/48/1032182348.db2.gz FWRARHXBISILAA-CRAIPNDOSA-N 1 2 328.431 3.674 20 0 EHADLO C[C@@H]1C[C@H](NCc2ccc(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379625608 1032182355 /nfs/dbraw/zinc/18/23/55/1032182355.db2.gz FWRARHXBISILAA-CRAIPNDOSA-N 1 2 328.431 3.674 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528379482 1032188166 /nfs/dbraw/zinc/18/81/66/1032188166.db2.gz HGKGKDMFYBITDI-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528379482 1032188172 /nfs/dbraw/zinc/18/81/72/1032188172.db2.gz HGKGKDMFYBITDI-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183968086 1032218563 /nfs/dbraw/zinc/21/85/63/1032218563.db2.gz HEPYBKUYGGCVIQ-CYBMUJFWSA-N 1 2 337.395 3.684 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183968086 1032218578 /nfs/dbraw/zinc/21/85/78/1032218578.db2.gz HEPYBKUYGGCVIQ-CYBMUJFWSA-N 1 2 337.395 3.684 20 0 EHADLO c1csc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c1 ZINC000508781585 1032224217 /nfs/dbraw/zinc/22/42/17/1032224217.db2.gz ZSTJZAPYHQZWPH-UHFFFAOYSA-N 1 2 339.464 3.649 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2ccc(OCc3ccccn3)cc2)[nH+]1 ZINC000080949501 1032227232 /nfs/dbraw/zinc/22/72/32/1032227232.db2.gz AJJVGAZOUGXEOO-UHFFFAOYSA-N 1 2 345.406 3.852 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ncccc1Cl)c1ccccc1 ZINC000528400375 1032227669 /nfs/dbraw/zinc/22/76/69/1032227669.db2.gz NYEGLJNOUNHYPR-INIZCTEOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ncccc1Cl)c1ccccc1 ZINC000528400375 1032227687 /nfs/dbraw/zinc/22/76/87/1032227687.db2.gz NYEGLJNOUNHYPR-INIZCTEOSA-N 1 2 343.858 3.520 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000536753636 1032247846 /nfs/dbraw/zinc/24/78/46/1032247846.db2.gz HSNMPAKPEDAGNS-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000538275003 1032263607 /nfs/dbraw/zinc/26/36/07/1032263607.db2.gz PTGMSSHNUYJBPH-UIAACRFSSA-N 1 2 345.462 3.834 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1Br ZINC000459554386 1032272568 /nfs/dbraw/zinc/27/25/68/1032272568.db2.gz CMHZFQKQFCLTOV-CQSZACIVSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1Br ZINC000459555911 1032274082 /nfs/dbraw/zinc/27/40/82/1032274082.db2.gz GUCZTFCBPVAEIG-CQSZACIVSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1Br ZINC000459555911 1032274094 /nfs/dbraw/zinc/27/40/94/1032274094.db2.gz GUCZTFCBPVAEIG-CQSZACIVSA-N 1 2 333.229 3.887 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ncccc1Cl ZINC000528440327 1032301186 /nfs/dbraw/zinc/30/11/86/1032301186.db2.gz LBCZEDLZWMNMRB-SECBINFHSA-N 1 2 346.784 3.961 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)cs1 ZINC000528451337 1032321434 /nfs/dbraw/zinc/32/14/34/1032321434.db2.gz XFBMXSXNTNHDFY-SECBINFHSA-N 1 2 341.839 3.787 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862990 1032326720 /nfs/dbraw/zinc/32/67/20/1032326720.db2.gz GNOPLMVATUPXFR-GJZGRUSLSA-N 1 2 329.444 3.543 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184870346 1032327973 /nfs/dbraw/zinc/32/79/73/1032327973.db2.gz MOFBZEZELCLHIJ-HZPDHXFCSA-N 1 2 349.434 3.870 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899918 1032330066 /nfs/dbraw/zinc/33/00/66/1032330066.db2.gz BRIAATPHCHDRFS-ZIAGYGMSSA-N 1 2 329.444 3.686 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)[nH]c1C ZINC000449217730 1032336933 /nfs/dbraw/zinc/33/69/33/1032336933.db2.gz BHVHUIALSFLNIS-IBGZPJMESA-N 1 2 338.407 3.972 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nc2c(s1)CCC2 ZINC000459631882 1032345901 /nfs/dbraw/zinc/34/59/01/1032345901.db2.gz LQGBVCYHJAIWQV-VIFPVBQESA-N 1 2 327.375 3.896 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000185226058 1032369037 /nfs/dbraw/zinc/36/90/37/1032369037.db2.gz BYQWSMPCTRBWFM-CYBMUJFWSA-N 1 2 333.432 3.798 20 0 EHADLO c1cnn(Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)c2)c1 ZINC000185209120 1032369497 /nfs/dbraw/zinc/36/94/97/1032369497.db2.gz VZRHCBAAFQMNME-HXUWFJFHSA-N 1 2 343.434 3.534 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000118766123 1032377139 /nfs/dbraw/zinc/37/71/39/1032377139.db2.gz GBNCFNJMQNHWTG-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(OCC3CCCCC3)c2)[nH]1 ZINC000449344838 1032462255 /nfs/dbraw/zinc/46/22/55/1032462255.db2.gz DWPDNDLMOGVCRG-UHFFFAOYSA-N 1 2 328.460 3.616 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(-c2c(F)cccc2F)s1)c1ccn(C)n1 ZINC000459780503 1032465386 /nfs/dbraw/zinc/46/53/86/1032465386.db2.gz XRBLFTQVSOJPKQ-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO CC(C)n1cc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)nn1 ZINC000449369649 1032482745 /nfs/dbraw/zinc/48/27/45/1032482745.db2.gz UCVHNLJRBUSEBW-UHFFFAOYSA-N 1 2 340.349 3.537 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000459814301 1032487201 /nfs/dbraw/zinc/48/72/01/1032487201.db2.gz UKALADXZUVALBA-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000459814301 1032487210 /nfs/dbraw/zinc/48/72/10/1032487210.db2.gz UKALADXZUVALBA-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1)C(F)F ZINC000449362172 1032499509 /nfs/dbraw/zinc/49/95/09/1032499509.db2.gz MJVAGMVVPKYZBT-SNVBAGLBSA-N 1 2 327.293 3.770 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3noc(C4CC4)n3)CC2(C)C)c1 ZINC000528618090 1032514378 /nfs/dbraw/zinc/51/43/78/1032514378.db2.gz DCGSUFRFUBTTEC-INIZCTEOSA-N 1 2 327.428 3.581 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3noc(C4CC4)n3)CC2(C)C)c1 ZINC000528618090 1032514386 /nfs/dbraw/zinc/51/43/86/1032514386.db2.gz DCGSUFRFUBTTEC-INIZCTEOSA-N 1 2 327.428 3.581 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c(C)[nH+]1 ZINC000459915854 1032527474 /nfs/dbraw/zinc/52/74/74/1032527474.db2.gz BRCJAXFPUVLJJS-UHFFFAOYSA-N 1 2 340.427 3.639 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089971196 1032549436 /nfs/dbraw/zinc/54/94/36/1032549436.db2.gz QWCVDPGHPOWJKS-VIFPVBQESA-N 1 2 325.733 3.929 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2cccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000449418164 1032553585 /nfs/dbraw/zinc/55/35/85/1032553585.db2.gz BNUDSBIUYVFVKK-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2cccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000449418164 1032553590 /nfs/dbraw/zinc/55/35/90/1032553590.db2.gz BNUDSBIUYVFVKK-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1)c1nnc2n1CCCC2 ZINC000449456544 1032572212 /nfs/dbraw/zinc/57/22/12/1032572212.db2.gz DCQGADVDEIQXKV-UHFFFAOYSA-N 1 2 339.270 3.946 20 0 EHADLO COC(=O)CC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000601998616 1032586649 /nfs/dbraw/zinc/58/66/49/1032586649.db2.gz HQMLYCHYEKQYRH-HNNXBMFYSA-N 1 2 342.370 3.751 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccccc1 ZINC000602081510 1032617071 /nfs/dbraw/zinc/61/70/71/1032617071.db2.gz QRHDHXPAOAGLSH-OAHLLOKOSA-N 1 2 333.391 3.720 20 0 EHADLO CCCOc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000449467071 1032618054 /nfs/dbraw/zinc/61/80/54/1032618054.db2.gz KNPFXTPFFJDHSS-UHFFFAOYSA-N 1 2 325.334 3.574 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000606365569 1032652867 /nfs/dbraw/zinc/65/28/67/1032652867.db2.gz CTGMDJVCXMALJF-VQIMIIECSA-N 1 2 325.456 3.803 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349081 1032656335 /nfs/dbraw/zinc/65/63/35/1032656335.db2.gz VDGFZBWCKQOCJZ-DZGCQCFKSA-N 1 2 334.872 3.736 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccncc2Cl)C1 ZINC000347349081 1032656348 /nfs/dbraw/zinc/65/63/48/1032656348.db2.gz VDGFZBWCKQOCJZ-DZGCQCFKSA-N 1 2 334.872 3.736 20 0 EHADLO C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000606412584 1032665280 /nfs/dbraw/zinc/66/52/80/1032665280.db2.gz VRIDZGALQUZVFH-HNNXBMFYSA-N 1 2 349.409 3.830 20 0 EHADLO Cc1ccccc1CN(Cc1ccccn1)C(=O)CCCn1cc[nH+]c1 ZINC000602135212 1032665817 /nfs/dbraw/zinc/66/58/17/1032665817.db2.gz KCZIRDYZHLYFDV-UHFFFAOYSA-N 1 2 348.450 3.596 20 0 EHADLO CSc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000659822645 1017080865 /nfs/dbraw/zinc/08/08/65/1017080865.db2.gz NAZVNUQHWFGOAA-UHFFFAOYSA-N 1 2 344.455 3.506 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)c1ccncc1F ZINC000340391800 1017165827 /nfs/dbraw/zinc/16/58/27/1017165827.db2.gz IFHOENPQFBVATK-JTQLQIEISA-N 1 2 344.308 3.979 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(c1ccccc1)c1ccccc1 ZINC000188605009 1017217229 /nfs/dbraw/zinc/21/72/29/1017217229.db2.gz LOQIOZONBQDHFF-QGZVFWFLSA-N 1 2 347.462 3.690 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)s1 ZINC000892742571 1017288906 /nfs/dbraw/zinc/28/89/06/1017288906.db2.gz WIBURTRCWKOLBT-UHFFFAOYSA-N 1 2 344.484 3.655 20 0 EHADLO Cc1cc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)sn1 ZINC000639139288 1017332314 /nfs/dbraw/zinc/33/23/14/1017332314.db2.gz HZOBIWPWVUUEOA-LBPRGKRZSA-N 1 2 343.221 3.576 20 0 EHADLO COc1ccc(C(C)C)cc1Cn1c2ccccc2[nH+]c1NCCO ZINC000655660080 1017348631 /nfs/dbraw/zinc/34/86/31/1017348631.db2.gz KFCVZOXULPNNJI-UHFFFAOYSA-N 1 2 339.439 3.621 20 0 EHADLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000530835662 1017364169 /nfs/dbraw/zinc/36/41/69/1017364169.db2.gz DMCUEWFNPYYHMV-GFCCVEGCSA-N 1 2 340.254 3.890 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCSC[C@H]3C)o2)cc1 ZINC000606451822 1032698828 /nfs/dbraw/zinc/69/88/28/1032698828.db2.gz ZHZVFAFZITZPFW-CQSZACIVSA-N 1 2 347.484 3.853 20 0 EHADLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCSC[C@H]3C)o2)cc1 ZINC000606451822 1032698836 /nfs/dbraw/zinc/69/88/36/1032698836.db2.gz ZHZVFAFZITZPFW-CQSZACIVSA-N 1 2 347.484 3.853 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cncc1Cl ZINC000340408293 1017469513 /nfs/dbraw/zinc/46/95/13/1017469513.db2.gz IXHSFVGPYPGAGF-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)c1nnc2n1CCCCC2 ZINC000657864796 1032706010 /nfs/dbraw/zinc/70/60/10/1032706010.db2.gz OFGUEPYBPAQCOJ-UKRRQHHQSA-N 1 2 339.443 3.948 20 0 EHADLO O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574062135 1032709826 /nfs/dbraw/zinc/70/98/26/1032709826.db2.gz JMRVVMGNCJGUAC-OQIJWPOYSA-N 1 2 328.456 3.668 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000247236999 1017578755 /nfs/dbraw/zinc/57/87/55/1017578755.db2.gz XMNVWYMKQFGKBX-WMLDXEAASA-N 1 2 330.501 3.826 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000247236999 1017578765 /nfs/dbraw/zinc/57/87/65/1017578765.db2.gz XMNVWYMKQFGKBX-WMLDXEAASA-N 1 2 330.501 3.826 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(C2CC2)no1)C[C@@H]1CCCO1 ZINC000659838045 1017589153 /nfs/dbraw/zinc/58/91/53/1017589153.db2.gz JNCBVCKWZZPOQO-KRWDZBQOSA-N 1 2 342.439 3.742 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(C2CC2)no1)C[C@@H]1CCCO1 ZINC000659838045 1017589163 /nfs/dbraw/zinc/58/91/63/1017589163.db2.gz JNCBVCKWZZPOQO-KRWDZBQOSA-N 1 2 342.439 3.742 20 0 EHADLO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCS2 ZINC000655793979 1017624857 /nfs/dbraw/zinc/62/48/57/1017624857.db2.gz FTZBLAKYAJBUQO-HUUCEWRRSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(OC(C)(C)C)cc1 ZINC000655793774 1017626019 /nfs/dbraw/zinc/62/60/19/1017626019.db2.gz CJFSTNDYWUIWLQ-CZUORRHYSA-N 1 2 344.459 3.684 20 0 EHADLO Fc1ccc(C2=CC[C@@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)CC2)cc1 ZINC000655794842 1017627220 /nfs/dbraw/zinc/62/72/20/1017627220.db2.gz SOPLVZJMRSZEAK-IAGOWNOFSA-N 1 2 342.418 3.521 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000655797833 1017636900 /nfs/dbraw/zinc/63/69/00/1017636900.db2.gz QVLFGJVEXQSUSD-DKIMLUQUSA-N 1 2 340.471 3.718 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000472748380 1017699897 /nfs/dbraw/zinc/69/98/97/1017699897.db2.gz IRDHYKAJDPWFEC-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000472748380 1017699900 /nfs/dbraw/zinc/69/99/00/1017699900.db2.gz IRDHYKAJDPWFEC-QGZVFWFLSA-N 1 2 336.439 3.648 20 0 EHADLO C[NH2+]C1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000574156096 1032717528 /nfs/dbraw/zinc/71/75/28/1032717528.db2.gz INUSDIWOGGFMQI-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1cc(O)ccc1Br ZINC000655832853 1017716850 /nfs/dbraw/zinc/71/68/50/1017716850.db2.gz AYQBFBCFFIQHGY-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1F ZINC000377395508 1017738040 /nfs/dbraw/zinc/73/80/40/1017738040.db2.gz CRFLNHZRQGIEEE-CQSZACIVSA-N 1 2 325.387 3.871 20 0 EHADLO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000275618103 1017760267 /nfs/dbraw/zinc/76/02/67/1017760267.db2.gz RJSMMYHMOYFGCW-ULQDDVLXSA-N 1 2 349.425 3.589 20 0 EHADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1csc(C(F)(F)F)c1 ZINC000924614912 1017938413 /nfs/dbraw/zinc/93/84/13/1017938413.db2.gz LENOALZUMKVTRO-TVQRCGJNSA-N 1 2 328.359 3.644 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H](C)C1CCCCC1 ZINC000175396425 1017992679 /nfs/dbraw/zinc/99/26/79/1017992679.db2.gz SMOWXUUPNRIFSK-JKSUJKDBSA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)NCc2c[nH+]cn2C)C2CC2)cc1 ZINC000291170592 1018044792 /nfs/dbraw/zinc/04/47/92/1018044792.db2.gz GPDMWKRBMLDILE-IBGZPJMESA-N 1 2 340.471 3.569 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000548001265 1018109029 /nfs/dbraw/zinc/10/90/29/1018109029.db2.gz SSNRXAPLGITPHW-QAPCUYQASA-N 1 2 340.471 3.593 20 0 EHADLO O=C(Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1)C1CC1 ZINC000079070718 1018128536 /nfs/dbraw/zinc/12/85/36/1018128536.db2.gz PHEFBSSTRLKAOL-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)n1 ZINC000377657074 1018133708 /nfs/dbraw/zinc/13/37/08/1018133708.db2.gz YUXDLGQVFOOINR-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)n1 ZINC000377657074 1018133712 /nfs/dbraw/zinc/13/37/12/1018133712.db2.gz YUXDLGQVFOOINR-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1c(Cl)cc(F)cc1Cl ZINC000431849535 1018235442 /nfs/dbraw/zinc/23/54/42/1018235442.db2.gz SAAHKKNGKXBKBF-UHFFFAOYSA-N 1 2 342.201 3.760 20 0 EHADLO CC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047570076 1018237380 /nfs/dbraw/zinc/23/73/80/1018237380.db2.gz YVRXPUHSAPXTQC-ARFHVFGLSA-N 1 2 333.476 3.558 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1 ZINC000460662150 1018284860 /nfs/dbraw/zinc/28/48/60/1018284860.db2.gz MVPGRMHJJIDOHP-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000606570708 1032754371 /nfs/dbraw/zinc/75/43/71/1032754371.db2.gz OWXRBPPECZNJPQ-OAHLLOKOSA-N 1 2 334.423 3.569 20 0 EHADLO COc1cc[nH+]cc1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000119207187 1032754555 /nfs/dbraw/zinc/75/45/55/1032754555.db2.gz FYWVHYSTYDCBAF-UHFFFAOYSA-N 1 2 341.392 3.555 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656035516 1018301274 /nfs/dbraw/zinc/30/12/74/1018301274.db2.gz KLGABARRUHGTHC-GOSISDBHSA-N 1 2 348.450 3.976 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C2(c3ccncc3)CCC2)no1)c1ccccc1 ZINC000656035516 1018301292 /nfs/dbraw/zinc/30/12/92/1018301292.db2.gz KLGABARRUHGTHC-GOSISDBHSA-N 1 2 348.450 3.976 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000042329521 1018318673 /nfs/dbraw/zinc/31/86/73/1018318673.db2.gz IKNVMXHXFQRQDB-FQEVSTJZSA-N 1 2 326.440 3.596 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)o1 ZINC000042329521 1018318689 /nfs/dbraw/zinc/31/86/89/1018318689.db2.gz IKNVMXHXFQRQDB-FQEVSTJZSA-N 1 2 326.440 3.596 20 0 EHADLO CC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000651043744 1018327645 /nfs/dbraw/zinc/32/76/45/1018327645.db2.gz OKJQAPFZKFQUDX-MRXNPFEDSA-N 1 2 331.847 3.683 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000377766042 1018334399 /nfs/dbraw/zinc/33/43/99/1018334399.db2.gz KAMJHELUIFLCTJ-MOPGFXCFSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000377766042 1018334410 /nfs/dbraw/zinc/33/44/10/1018334410.db2.gz KAMJHELUIFLCTJ-MOPGFXCFSA-N 1 2 341.430 3.545 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc(C)c1Cl ZINC000669635240 1032761045 /nfs/dbraw/zinc/76/10/45/1032761045.db2.gz AJHZOTNKVGRHFZ-KRWDZBQOSA-N 1 2 343.858 3.955 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc(C)c1Cl ZINC000669635240 1032761058 /nfs/dbraw/zinc/76/10/58/1032761058.db2.gz AJHZOTNKVGRHFZ-KRWDZBQOSA-N 1 2 343.858 3.955 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000683765249 1018405582 /nfs/dbraw/zinc/40/55/82/1018405582.db2.gz IJWNBISQYPVBQI-HXUWFJFHSA-N 1 2 328.419 3.848 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000549350359 1018461826 /nfs/dbraw/zinc/46/18/26/1018461826.db2.gz UPGAXBDXYWFGAQ-IBGZPJMESA-N 1 2 326.440 3.507 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000549350359 1018461831 /nfs/dbraw/zinc/46/18/31/1018461831.db2.gz UPGAXBDXYWFGAQ-IBGZPJMESA-N 1 2 326.440 3.507 20 0 EHADLO C[C@@H](O)c1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001210641624 1018502672 /nfs/dbraw/zinc/50/26/72/1018502672.db2.gz IAYMKTNAWQAHRL-SNVBAGLBSA-N 1 2 332.201 3.894 20 0 EHADLO CC(C)COc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582590 1032768665 /nfs/dbraw/zinc/76/86/65/1032768665.db2.gz VYBXPKFETFBTGB-UHFFFAOYSA-N 1 2 338.411 3.691 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1C(C)(C)C ZINC000340566892 1018511216 /nfs/dbraw/zinc/51/12/16/1018511216.db2.gz SCWBTHCNFQZDGF-UHFFFAOYSA-N 1 2 337.427 3.639 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000606584297 1032770450 /nfs/dbraw/zinc/77/04/50/1032770450.db2.gz NHUZDMNEYDRVON-KRWDZBQOSA-N 1 2 338.386 3.712 20 0 EHADLO O=C(NCCc1ccccc1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000606584202 1032771147 /nfs/dbraw/zinc/77/11/47/1032771147.db2.gz HTRLMDBCUJHTDA-UHFFFAOYSA-N 1 2 348.328 3.717 20 0 EHADLO C[C@@H]1C[C@H]1N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000415889817 1018618500 /nfs/dbraw/zinc/61/85/00/1018618500.db2.gz JJFCHASYTFHGBB-PSBWJHGTSA-N 1 2 335.451 3.596 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000683806670 1018644848 /nfs/dbraw/zinc/64/48/48/1018644848.db2.gz KSRUWMUEBFBQBS-IEBWSBKVSA-N 1 2 347.462 3.898 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000528768250 1032777177 /nfs/dbraw/zinc/77/71/77/1032777177.db2.gz OJKNIEUQOXMHPD-VIFPVBQESA-N 1 2 348.187 3.797 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000528768250 1032777190 /nfs/dbraw/zinc/77/71/90/1032777190.db2.gz OJKNIEUQOXMHPD-VIFPVBQESA-N 1 2 348.187 3.797 20 0 EHADLO CC[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(OC)cc1 ZINC000052039987 1018716500 /nfs/dbraw/zinc/71/65/00/1018716500.db2.gz DMTGJCSUTRJEPD-UHFFFAOYSA-N 1 2 340.452 3.631 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(OC)cc1 ZINC000052039987 1018716511 /nfs/dbraw/zinc/71/65/11/1018716511.db2.gz DMTGJCSUTRJEPD-UHFFFAOYSA-N 1 2 340.452 3.631 20 0 EHADLO CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC(=O)CC1 ZINC000580155375 1018717175 /nfs/dbraw/zinc/71/71/75/1018717175.db2.gz YTJSAIRMTBXCHS-UHFFFAOYSA-N 1 2 331.803 3.614 20 0 EHADLO COCc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000052282557 1018782397 /nfs/dbraw/zinc/78/23/97/1018782397.db2.gz ZRGDMNJJQVPKQJ-UHFFFAOYSA-N 1 2 345.406 3.574 20 0 EHADLO CO[C@@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCC1 ZINC000614354837 1018834080 /nfs/dbraw/zinc/83/40/80/1018834080.db2.gz ZTIKZBLNOAVLIP-GOSISDBHSA-N 1 2 339.439 3.640 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccoc1)C(c1ccccc1)c1ccccc1 ZINC000345088115 1018835531 /nfs/dbraw/zinc/83/55/31/1018835531.db2.gz BNVVFFCXZJFVHC-UHFFFAOYSA-N 1 2 348.446 3.959 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccoc1)C(c1ccccc1)c1ccccc1 ZINC000345088115 1018835548 /nfs/dbraw/zinc/83/55/48/1018835548.db2.gz BNVVFFCXZJFVHC-UHFFFAOYSA-N 1 2 348.446 3.959 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCSC[C@H]3C3CCC3)nc(=O)c2c1C ZINC000419362786 1018863230 /nfs/dbraw/zinc/86/32/30/1018863230.db2.gz BZPSLBXFAXAORR-ZDUSSCGKSA-N 1 2 349.525 3.731 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCSC[C@H]3C3CCC3)nc(=O)c2c1C ZINC000419362786 1018863247 /nfs/dbraw/zinc/86/32/47/1018863247.db2.gz BZPSLBXFAXAORR-ZDUSSCGKSA-N 1 2 349.525 3.731 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412699944 1018904957 /nfs/dbraw/zinc/90/49/57/1018904957.db2.gz QDCORPBALUIDEI-AWEZNQCLSA-N 1 2 346.521 3.817 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412699944 1018904971 /nfs/dbraw/zinc/90/49/71/1018904971.db2.gz QDCORPBALUIDEI-AWEZNQCLSA-N 1 2 346.521 3.817 20 0 EHADLO CC[C@H](C)c1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000927766883 1018981311 /nfs/dbraw/zinc/98/13/11/1018981311.db2.gz XXBAKEHNVHHKTH-ZDUSSCGKSA-N 1 2 331.485 3.648 20 0 EHADLO CCC(CC)(C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000927768264 1019007980 /nfs/dbraw/zinc/00/79/80/1019007980.db2.gz IYTOIPGXXAKURZ-UHFFFAOYSA-N 1 2 345.512 3.579 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000473504112 1019062826 /nfs/dbraw/zinc/06/28/26/1019062826.db2.gz OHQKFKSZAHHVNB-BRWVUGGUSA-N 1 2 340.471 3.507 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)C)ns1 ZINC000092658917 1032806244 /nfs/dbraw/zinc/80/62/44/1032806244.db2.gz NFOTTXRWFJXUMX-UHFFFAOYSA-N 1 2 345.516 3.799 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000513143164 1019098726 /nfs/dbraw/zinc/09/87/26/1019098726.db2.gz AHNGIRITRAOZEM-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000513143164 1019098738 /nfs/dbraw/zinc/09/87/38/1019098738.db2.gz AHNGIRITRAOZEM-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000549921297 1019118000 /nfs/dbraw/zinc/11/80/00/1019118000.db2.gz YJDJLOUSQLMEJX-UHFFFAOYSA-N 1 2 330.457 3.797 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000683897827 1019148377 /nfs/dbraw/zinc/14/83/77/1019148377.db2.gz GWIHZKVIZVWOOJ-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000683897827 1019148389 /nfs/dbraw/zinc/14/83/89/1019148389.db2.gz GWIHZKVIZVWOOJ-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1C ZINC000729050777 1019169997 /nfs/dbraw/zinc/16/99/97/1019169997.db2.gz KLKFIHLPZLTLSF-HZPDHXFCSA-N 1 2 333.476 3.721 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000666868321 1032819785 /nfs/dbraw/zinc/81/97/85/1032819785.db2.gz NTQZOLZSLRFORV-UHFFFAOYSA-N 1 2 329.297 3.929 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726707048 1019289443 /nfs/dbraw/zinc/28/94/43/1019289443.db2.gz XOSUDNLDYCDRBW-ZDUSSCGKSA-N 1 2 346.862 3.583 20 0 EHADLO CC(C)([NH2+]Cc1ncc(C(F)(F)F)s1)C(=O)Nc1ccccc1 ZINC000683927163 1019295062 /nfs/dbraw/zinc/29/50/62/1019295062.db2.gz LZJFKYTUIVZHNV-UHFFFAOYSA-N 1 2 343.374 3.669 20 0 EHADLO Brc1csc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)n1 ZINC001137779318 1032821887 /nfs/dbraw/zinc/82/18/87/1032821887.db2.gz GOZHLMPTCMSZEB-LBPRGKRZSA-N 1 2 338.274 3.508 20 0 EHADLO Brc1csc(C[N@H+]2CCC[C@H]2Cc2ccccn2)n1 ZINC001137779318 1032821905 /nfs/dbraw/zinc/82/19/05/1032821905.db2.gz GOZHLMPTCMSZEB-LBPRGKRZSA-N 1 2 338.274 3.508 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000340687091 1019329219 /nfs/dbraw/zinc/32/92/19/1019329219.db2.gz KMTDYZBNMLRVNK-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000340687091 1019329233 /nfs/dbraw/zinc/32/92/33/1019329233.db2.gz KMTDYZBNMLRVNK-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO CC(C)Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000261395853 1019361321 /nfs/dbraw/zinc/36/13/21/1019361321.db2.gz JCQJDCIYTFZLIM-UHFFFAOYSA-N 1 2 325.456 3.902 20 0 EHADLO CC1(C)CC[N@H+](Cc2cccc(OC3CCCC3)c2)CC[S@@]1=O ZINC000449569372 1032822565 /nfs/dbraw/zinc/82/25/65/1032822565.db2.gz BLSJOHBHPTVETH-QHCPKHFHSA-N 1 2 335.513 3.741 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[S@@]1=O ZINC000449569372 1032822581 /nfs/dbraw/zinc/82/25/81/1032822581.db2.gz BLSJOHBHPTVETH-QHCPKHFHSA-N 1 2 335.513 3.741 20 0 EHADLO COc1c(C)ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000340692019 1019392504 /nfs/dbraw/zinc/39/25/04/1019392504.db2.gz QGNFOOLJWMHJLH-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)s1 ZINC000129853260 1019428577 /nfs/dbraw/zinc/42/85/77/1019428577.db2.gz JPZMXWVVAWVJPK-ZDUSSCGKSA-N 1 2 334.510 3.945 20 0 EHADLO Cc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc(C(C)C)[nH+]1 ZINC000425289945 1019428625 /nfs/dbraw/zinc/42/86/25/1019428625.db2.gz ZUQMCQPJWXCCSM-NVXWUHKLSA-N 1 2 331.847 3.874 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)CC(F)(F)F ZINC000396988666 1032830298 /nfs/dbraw/zinc/83/02/98/1032830298.db2.gz FBSFFCLMDKUBHR-NSHDSACASA-N 1 2 335.333 3.816 20 0 EHADLO CSCC1(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000597987982 1032833384 /nfs/dbraw/zinc/83/33/84/1032833384.db2.gz OOLWMQXPTVDOIO-MRXNPFEDSA-N 1 2 343.496 3.581 20 0 EHADLO c1csc(-c2ncc(C[NH2+]Cc3nnc(C4CC4)s3)s2)c1 ZINC000580528586 1019557406 /nfs/dbraw/zinc/55/74/06/1019557406.db2.gz YSYCRESMGSWWEJ-UHFFFAOYSA-N 1 2 334.495 3.890 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2nc3cc(Cl)ccc3s2)[nH+]1 ZINC000433794728 1019630578 /nfs/dbraw/zinc/63/05/78/1019630578.db2.gz UZEYDXVCIOQGKE-UHFFFAOYSA-N 1 2 329.816 3.563 20 0 EHADLO C/C(=C\c1ccccc1)CN(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000433805052 1019649497 /nfs/dbraw/zinc/64/94/97/1019649497.db2.gz UBARIWLGTZCWMX-FOWTUZBSSA-N 1 2 340.496 3.570 20 0 EHADLO C/C(=C\c1ccccc1)CN(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000433805052 1019649504 /nfs/dbraw/zinc/64/95/04/1019649504.db2.gz UBARIWLGTZCWMX-FOWTUZBSSA-N 1 2 340.496 3.570 20 0 EHADLO CC(C)C[C@@H](C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)c1ccccc1 ZINC000656269850 1019821434 /nfs/dbraw/zinc/82/14/34/1019821434.db2.gz USTGKGQPLYYEFI-IRXDYDNUSA-N 1 2 328.460 3.576 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000434003766 1019852519 /nfs/dbraw/zinc/85/25/19/1019852519.db2.gz UZYBDWHBNFHFRZ-UHFFFAOYSA-N 1 2 333.435 3.820 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CCO2)c1 ZINC000092975515 1032859951 /nfs/dbraw/zinc/85/99/51/1032859951.db2.gz VNVLWHAGILBEOO-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CCO2)c1 ZINC000092975515 1032859974 /nfs/dbraw/zinc/85/99/74/1032859974.db2.gz VNVLWHAGILBEOO-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Cc1ccc(F)c(CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000580721735 1019912191 /nfs/dbraw/zinc/91/21/91/1019912191.db2.gz OAFOIEUZGQWKQP-QAQDUYKDSA-N 1 2 341.430 3.611 20 0 EHADLO CN(Cc1cccc(C(F)(F)F)c1)c1cc(N2CCCC2)[nH+]cn1 ZINC000434077767 1019926967 /nfs/dbraw/zinc/92/69/67/1019926967.db2.gz WSODEGMENQUXTO-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO CN(Cc1cccc(C(F)(F)F)c1)c1cc(N2CCCC2)nc[nH+]1 ZINC000434077767 1019926974 /nfs/dbraw/zinc/92/69/74/1019926974.db2.gz WSODEGMENQUXTO-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc(Cl)s2)c1C ZINC000050447990 1019931095 /nfs/dbraw/zinc/93/10/95/1019931095.db2.gz AISAUHRQAUIASS-UHFFFAOYSA-N 1 2 338.860 3.671 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255720310 1019933796 /nfs/dbraw/zinc/93/37/96/1019933796.db2.gz CZNYMYQLXBDGCJ-ARJAWSKDSA-N 1 2 345.874 3.776 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255720310 1019933805 /nfs/dbraw/zinc/93/38/05/1019933805.db2.gz CZNYMYQLXBDGCJ-ARJAWSKDSA-N 1 2 345.874 3.776 20 0 EHADLO CCC[C@@H](C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000050449702 1019934831 /nfs/dbraw/zinc/93/48/31/1019934831.db2.gz YXOWKLYXTLLFQR-QGZVFWFLSA-N 1 2 326.440 3.907 20 0 EHADLO Cn1cccc1[C@H]1CCCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255730695 1019972810 /nfs/dbraw/zinc/97/28/10/1019972810.db2.gz PEUSIFYETHWHFC-NHHWLVAYSA-N 1 2 346.434 3.588 20 0 EHADLO CCOc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000340789678 1019987085 /nfs/dbraw/zinc/98/70/85/1019987085.db2.gz GUKDSUSIKLXLCW-SFHVURJKSA-N 1 2 335.407 3.969 20 0 EHADLO C[C@H]1SCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@@H]1C ZINC000345179266 1020028990 /nfs/dbraw/zinc/02/89/90/1020028990.db2.gz ZGUQWQBZBVEZAH-HZPDHXFCSA-N 1 2 344.480 3.639 20 0 EHADLO C[C@H]1SCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)[C@@H]1C ZINC000345179266 1020029002 /nfs/dbraw/zinc/02/90/02/1020029002.db2.gz ZGUQWQBZBVEZAH-HZPDHXFCSA-N 1 2 344.480 3.639 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cn(C)nc2C(F)F)c2ccccn2)cc1 ZINC000280048785 1020032808 /nfs/dbraw/zinc/03/28/08/1020032808.db2.gz LZZMCQYPMVKMTK-QGZVFWFLSA-N 1 2 342.393 3.940 20 0 EHADLO CC1(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000345184128 1020035378 /nfs/dbraw/zinc/03/53/78/1020035378.db2.gz WYKVSPKUOZZNSG-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)[C@H]4C[C@@H]4C)cc3)cc2[nH+]1 ZINC000048129944 1020097873 /nfs/dbraw/zinc/09/78/73/1020097873.db2.gz HMMRZHXJUKMOKB-ZBEGNZNMSA-N 1 2 348.406 3.718 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000684091776 1020121809 /nfs/dbraw/zinc/12/18/09/1020121809.db2.gz IXIIJVAUJGPKET-IBGZPJMESA-N 1 2 347.455 3.609 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000684091776 1020121816 /nfs/dbraw/zinc/12/18/16/1020121816.db2.gz IXIIJVAUJGPKET-IBGZPJMESA-N 1 2 347.455 3.609 20 0 EHADLO CSc1c(F)cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000345317204 1020127870 /nfs/dbraw/zinc/12/78/70/1020127870.db2.gz KPYGIMPDRSWACU-MRXNPFEDSA-N 1 2 348.418 3.900 20 0 EHADLO CSc1c(F)cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1F ZINC000345317204 1020127875 /nfs/dbraw/zinc/12/78/75/1020127875.db2.gz KPYGIMPDRSWACU-MRXNPFEDSA-N 1 2 348.418 3.900 20 0 EHADLO CC(C)O[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000345303087 1020141646 /nfs/dbraw/zinc/14/16/46/1020141646.db2.gz MSPVUVCQRXBRDO-FQEVSTJZSA-N 1 2 349.434 3.655 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cscc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000528828901 1032878648 /nfs/dbraw/zinc/87/86/48/1032878648.db2.gz PCFBAWCLFYOFAS-YPMHNXCESA-N 1 2 331.466 3.883 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000280168435 1020148697 /nfs/dbraw/zinc/14/86/97/1020148697.db2.gz YZBXESOMHKCSPM-HIFRSBDPSA-N 1 2 339.439 3.965 20 0 EHADLO CN(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000345313033 1020149579 /nfs/dbraw/zinc/14/95/79/1020149579.db2.gz TUOMJGHKEGSHEW-UHFFFAOYSA-N 1 2 344.434 3.771 20 0 EHADLO C[C@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC=CCC1 ZINC000580875571 1020166243 /nfs/dbraw/zinc/16/62/43/1020166243.db2.gz XMENIBVDWRMEEF-FQEVSTJZSA-N 1 2 339.439 3.567 20 0 EHADLO OC[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000280214182 1020185065 /nfs/dbraw/zinc/18/50/65/1020185065.db2.gz ISZDZHOSNVQCFO-NSHDSACASA-N 1 2 336.766 3.639 20 0 EHADLO c1sc2ccccc2c1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000434091843 1020190920 /nfs/dbraw/zinc/19/09/20/1020190920.db2.gz YUZZGXZEUQHPAT-UHFFFAOYSA-N 1 2 342.493 3.857 20 0 EHADLO c1sc2ccccc2c1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000434091843 1020190932 /nfs/dbraw/zinc/19/09/32/1020190932.db2.gz YUZZGXZEUQHPAT-UHFFFAOYSA-N 1 2 342.493 3.857 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1OC(F)(F)F ZINC000280245268 1020205231 /nfs/dbraw/zinc/20/52/31/1020205231.db2.gz KSSBNEIJANFRHH-CYBMUJFWSA-N 1 2 347.283 3.687 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc(C)c1F ZINC001143384583 1020232154 /nfs/dbraw/zinc/23/21/54/1020232154.db2.gz IXAUXRJHHBRRBI-UHFFFAOYSA-N 1 2 332.463 3.667 20 0 EHADLO O=C(C1CCCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345439610 1020254019 /nfs/dbraw/zinc/25/40/19/1020254019.db2.gz BKJRBJAGQNLYCG-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO CC[C@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000255899098 1020255821 /nfs/dbraw/zinc/25/58/21/1020255821.db2.gz MFBWAQDFFZJDPD-ZXYDQQDNSA-N 1 2 332.407 3.548 20 0 EHADLO CCc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)o1 ZINC000280329068 1020309760 /nfs/dbraw/zinc/30/97/60/1020309760.db2.gz QZMAEJXFKAKHDA-CQSZACIVSA-N 1 2 329.318 3.564 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)nc2ccccc12 ZINC000280370240 1020329324 /nfs/dbraw/zinc/32/93/24/1020329324.db2.gz KJQVFHGACBDIAC-ORAYPTAESA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)nc2ccccc12 ZINC000280370240 1020329334 /nfs/dbraw/zinc/32/93/34/1020329334.db2.gz KJQVFHGACBDIAC-ORAYPTAESA-N 1 2 346.858 3.576 20 0 EHADLO Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000345551266 1020355399 /nfs/dbraw/zinc/35/53/99/1020355399.db2.gz SLKXTZVTJSMWTE-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(F)c(Cl)cc3F)[nH+]c12 ZINC000123444022 1020406825 /nfs/dbraw/zinc/40/68/25/1020406825.db2.gz QHOMLKRUDYRMFM-UHFFFAOYSA-N 1 2 349.768 3.547 20 0 EHADLO Cc1ccc(SCCC(=O)NCCCNc2cccc[nH+]2)cc1C ZINC000345643685 1020411739 /nfs/dbraw/zinc/41/17/39/1020411739.db2.gz UZFGWMPROAHKSV-UHFFFAOYSA-N 1 2 343.496 3.799 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000029143491 1020418165 /nfs/dbraw/zinc/41/81/65/1020418165.db2.gz HGXDLJXHPZOUSZ-SFHVURJKSA-N 1 2 342.489 3.979 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000029143491 1020418172 /nfs/dbraw/zinc/41/81/72/1020418172.db2.gz HGXDLJXHPZOUSZ-SFHVURJKSA-N 1 2 342.489 3.979 20 0 EHADLO Fc1ccccc1Cc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000345657859 1020430713 /nfs/dbraw/zinc/43/07/13/1020430713.db2.gz GIWWJLDFSZWHET-UHFFFAOYSA-N 1 2 334.354 3.711 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(Cc2cccs2)no1 ZINC000345664026 1020434912 /nfs/dbraw/zinc/43/49/12/1020434912.db2.gz RGANCASFMCCLSH-UHFFFAOYSA-N 1 2 346.362 3.707 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000093766844 1032904065 /nfs/dbraw/zinc/90/40/65/1032904065.db2.gz YDJLIBFIAVZGMK-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3Cl)CCC2)n1 ZINC000345737600 1020488155 /nfs/dbraw/zinc/48/81/55/1020488155.db2.gz XWVXXTPNIISVDI-UHFFFAOYSA-N 1 2 335.860 3.712 20 0 EHADLO COCC[C@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccco1 ZINC000834755816 1020527519 /nfs/dbraw/zinc/52/75/19/1020527519.db2.gz HUKURHVNRJJOIG-UWVGGRQHSA-N 1 2 345.262 3.927 20 0 EHADLO C[N@H+](CCN1CCCC1=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000548157909 1020589495 /nfs/dbraw/zinc/58/94/95/1020589495.db2.gz YOBIUCFREPPYTJ-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO C[N@@H+](CCN1CCCC1=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000548157909 1020589504 /nfs/dbraw/zinc/58/95/04/1020589504.db2.gz YOBIUCFREPPYTJ-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO CC(C)Cn1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000340915426 1020599294 /nfs/dbraw/zinc/59/92/94/1020599294.db2.gz LOZUOOUAHFDJPU-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO CC(C)Cn1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000340915426 1020599299 /nfs/dbraw/zinc/59/92/99/1020599299.db2.gz LOZUOOUAHFDJPU-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)csc2c1 ZINC000280748419 1020612580 /nfs/dbraw/zinc/61/25/80/1020612580.db2.gz PFDGGWHJDYALRK-ZDUSSCGKSA-N 1 2 325.437 3.953 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000345934749 1020622123 /nfs/dbraw/zinc/62/21/23/1020622123.db2.gz ANEVSBWWSVDBMN-UHFFFAOYSA-N 1 2 331.419 3.769 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345956415 1020630392 /nfs/dbraw/zinc/63/03/92/1020630392.db2.gz BHHGFYNAMOQSCM-JZXOWHBKSA-N 1 2 343.496 3.721 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000276121868 1020666465 /nfs/dbraw/zinc/66/64/65/1020666465.db2.gz BNNWKMBNIHLGGU-LBPRGKRZSA-N 1 2 336.304 3.566 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000276121868 1020666474 /nfs/dbraw/zinc/66/64/74/1020666474.db2.gz BNNWKMBNIHLGGU-LBPRGKRZSA-N 1 2 336.304 3.566 20 0 EHADLO CSC1(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000581336796 1020705993 /nfs/dbraw/zinc/70/59/93/1020705993.db2.gz FZARWYXELDIKCX-AWEZNQCLSA-N 1 2 331.403 3.974 20 0 EHADLO CSC1(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000581336796 1020705999 /nfs/dbraw/zinc/70/59/99/1020705999.db2.gz FZARWYXELDIKCX-AWEZNQCLSA-N 1 2 331.403 3.974 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000276148061 1020735072 /nfs/dbraw/zinc/73/50/72/1020735072.db2.gz BREACCWGNSGYBO-HNNXBMFYSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000276148061 1020735077 /nfs/dbraw/zinc/73/50/77/1020735077.db2.gz BREACCWGNSGYBO-HNNXBMFYSA-N 1 2 343.450 3.766 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340982150 1020750090 /nfs/dbraw/zinc/75/00/90/1020750090.db2.gz ZDTFNBHBKFOSDC-PMACEKPBSA-N 1 2 349.478 3.882 20 0 EHADLO CCn1cnc2c1CC[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000933256588 1020829965 /nfs/dbraw/zinc/82/99/65/1020829965.db2.gz NZHWGKDVFCGMLV-XLIONFOSSA-N 1 2 325.456 3.572 20 0 EHADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000933256588 1020829969 /nfs/dbraw/zinc/82/99/69/1020829969.db2.gz NZHWGKDVFCGMLV-XLIONFOSSA-N 1 2 325.456 3.572 20 0 EHADLO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000548165375 1020838638 /nfs/dbraw/zinc/83/86/38/1020838638.db2.gz JWIZYHARWPVEMI-HXUWFJFHSA-N 1 2 339.439 3.749 20 0 EHADLO c1ccc2c(c1)CO[C@@]21CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000548165375 1020838642 /nfs/dbraw/zinc/83/86/42/1020838642.db2.gz JWIZYHARWPVEMI-HXUWFJFHSA-N 1 2 339.439 3.749 20 0 EHADLO C[C@H](CCc1ccco1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341040373 1020896697 /nfs/dbraw/zinc/89/66/97/1020896697.db2.gz NWEYYCUOPWQJLP-QAPCUYQASA-N 1 2 337.423 3.662 20 0 EHADLO Cc1c[nH+]c(CCSc2nnc(-c3cccs3)n2C)c(C)c1 ZINC000581428473 1020906205 /nfs/dbraw/zinc/90/62/05/1020906205.db2.gz JFOUGRQNGWTBDW-UHFFFAOYSA-N 1 2 330.482 3.890 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000276214313 1020908542 /nfs/dbraw/zinc/90/85/42/1020908542.db2.gz IDPOWWZAUGINBN-ZDUSSCGKSA-N 1 2 339.361 3.823 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000276214313 1020908548 /nfs/dbraw/zinc/90/85/48/1020908548.db2.gz IDPOWWZAUGINBN-ZDUSSCGKSA-N 1 2 339.361 3.823 20 0 EHADLO COc1ccc([C@@H](NCc2[nH+]cc(C)n2C)c2ccc(F)cc2)cc1 ZINC000341061634 1020946520 /nfs/dbraw/zinc/94/65/20/1020946520.db2.gz WUBPMUJQGWBIDV-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000341076897 1020956766 /nfs/dbraw/zinc/95/67/66/1020956766.db2.gz UURFVRRJKLXHHN-LJQANCHMSA-N 1 2 340.398 3.631 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000341076897 1020956772 /nfs/dbraw/zinc/95/67/72/1020956772.db2.gz UURFVRRJKLXHHN-LJQANCHMSA-N 1 2 340.398 3.631 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000341103186 1020982206 /nfs/dbraw/zinc/98/22/06/1020982206.db2.gz RMXISGUIIOAUET-LBPRGKRZSA-N 1 2 340.427 3.671 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCc2sc(Br)cc2C1 ZINC000644902418 1021041025 /nfs/dbraw/zinc/04/10/25/1021041025.db2.gz FFCRWPRSNJNQHF-UHFFFAOYSA-N 1 2 340.290 3.846 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](OCc2ccccn2)C1 ZINC000276346596 1021069092 /nfs/dbraw/zinc/06/90/92/1021069092.db2.gz TVBUWPBRAZYVBG-QGZVFWFLSA-N 1 2 349.434 3.742 20 0 EHADLO Cc1cccc(CC2C[NH+](Cc3ccc(Br)cn3)C2)c1 ZINC000656648253 1021082876 /nfs/dbraw/zinc/08/28/76/1021082876.db2.gz SYODFCZSBSYSCQ-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)ccc2[nH+]1 ZINC000341201134 1021088113 /nfs/dbraw/zinc/08/81/13/1021088113.db2.gz FDMSVTXUALBOAT-QWHCGFSZSA-N 1 2 327.334 3.663 20 0 EHADLO CC(C)n1cc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000656656163 1021102538 /nfs/dbraw/zinc/10/25/38/1021102538.db2.gz ROJXLRYVKQJCFE-UHFFFAOYSA-N 1 2 338.377 3.552 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341220309 1021121643 /nfs/dbraw/zinc/12/16/43/1021121643.db2.gz SLKZQAZSTITHEP-QGZVFWFLSA-N 1 2 333.435 3.991 20 0 EHADLO Cc1c(Br)scc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000548192473 1021137295 /nfs/dbraw/zinc/13/72/95/1021137295.db2.gz UJRVSFFPQUVIMS-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cc2ccccc2s1)[C@H]1CCC[C@H](OC)C1 ZINC000581610831 1021148595 /nfs/dbraw/zinc/14/85/95/1021148595.db2.gz DPPMATHXONFHEB-RLFYNMQTSA-N 1 2 347.480 3.738 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[C@@H](OC)C1 ZINC000581610830 1021148624 /nfs/dbraw/zinc/14/86/24/1021148624.db2.gz DPPMATHXONFHEB-IIDMSEBBSA-N 1 2 347.480 3.738 20 0 EHADLO CC(C)C[C@@H](C)OCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341242271 1021161726 /nfs/dbraw/zinc/16/17/26/1021161726.db2.gz OTNCFOBGJVURBP-GOSISDBHSA-N 1 2 349.519 3.743 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)on1 ZINC000602525174 1032958303 /nfs/dbraw/zinc/95/83/03/1032958303.db2.gz RRMMTAYRWHPRFF-MRVPVSSYSA-N 1 2 329.183 3.619 20 0 EHADLO FC(F)C1C[NH+](Cc2ccnc3c(Br)cccc23)C1 ZINC000656691551 1021177344 /nfs/dbraw/zinc/17/73/44/1021177344.db2.gz KPOBHDRVFJSYGW-UHFFFAOYSA-N 1 2 327.172 3.694 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)[nH+]1 ZINC000516249790 1021229685 /nfs/dbraw/zinc/22/96/85/1021229685.db2.gz QEUTYBSFFYGSHZ-GVDBMIGSSA-N 1 2 331.460 3.554 20 0 EHADLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)co1 ZINC000507398797 1021233713 /nfs/dbraw/zinc/23/37/13/1021233713.db2.gz DQBDTTFYUNIKJY-UHFFFAOYSA-N 1 2 343.814 3.781 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C1CC1 ZINC000625657768 1021235579 /nfs/dbraw/zinc/23/55/79/1021235579.db2.gz WEHOCXWJVMGJHU-AWEZNQCLSA-N 1 2 332.398 3.579 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C1CC1 ZINC000625657768 1021235588 /nfs/dbraw/zinc/23/55/88/1021235588.db2.gz WEHOCXWJVMGJHU-AWEZNQCLSA-N 1 2 332.398 3.579 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000341267876 1021239588 /nfs/dbraw/zinc/23/95/88/1021239588.db2.gz BGXLDQFQBTYOMV-OLZOCXBDSA-N 1 2 337.379 3.877 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 ZINC000341267875 1021239667 /nfs/dbraw/zinc/23/96/67/1021239667.db2.gz BGXLDQFQBTYOMV-CHWSQXEVSA-N 1 2 337.379 3.877 20 0 EHADLO CC(C)(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000096704767 1032966397 /nfs/dbraw/zinc/96/63/97/1032966397.db2.gz AOLWRRNBSKOWPL-AWEZNQCLSA-N 1 2 341.858 3.714 20 0 EHADLO Fc1c(CNc2ccc(N3CCCC3)c[nH+]2)cccc1OC1CC1 ZINC000656769680 1021307775 /nfs/dbraw/zinc/30/77/75/1021307775.db2.gz WTTFRJYMEYWPAY-UHFFFAOYSA-N 1 2 327.403 3.974 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc2c1OCCO2 ZINC000449635593 1032969198 /nfs/dbraw/zinc/96/91/98/1032969198.db2.gz USFCLZYDIVCJBS-IBGZPJMESA-N 1 2 341.407 3.787 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc2c1OCCO2 ZINC000449635593 1032969210 /nfs/dbraw/zinc/96/92/10/1032969210.db2.gz USFCLZYDIVCJBS-IBGZPJMESA-N 1 2 341.407 3.787 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cn(C(C)C)nn3)[nH+]c2)c1 ZINC000656780874 1021321029 /nfs/dbraw/zinc/32/10/29/1021321029.db2.gz KFFWSIRAEHOJMK-UHFFFAOYSA-N 1 2 338.415 3.618 20 0 EHADLO Oc1ccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000436893952 1021324668 /nfs/dbraw/zinc/32/46/68/1021324668.db2.gz QSBJQQBEQSVRKY-XCVCLJGOSA-N 1 2 330.347 3.798 20 0 EHADLO COCc1csc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c1 ZINC000656776598 1021324854 /nfs/dbraw/zinc/32/48/54/1021324854.db2.gz KJVMNHIZHUCOTF-UHFFFAOYSA-N 1 2 328.441 3.611 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CCC(C4(O)CC4)CC3)c2c1 ZINC000894379699 1021325850 /nfs/dbraw/zinc/32/58/50/1021325850.db2.gz RQBCJZOUTBRHKT-UHFFFAOYSA-N 1 2 332.831 3.638 20 0 EHADLO Cc1ccoc1C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000506538456 1021330143 /nfs/dbraw/zinc/33/01/43/1021330143.db2.gz GPZVBOVLPCPFIK-UHFFFAOYSA-N 1 2 326.227 3.612 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(C[S@@](=O)c3ccccc3)c2)n1C ZINC000341290972 1021345145 /nfs/dbraw/zinc/34/51/45/1021345145.db2.gz UCEAHLXOZLWHBS-XMMPIXPASA-N 1 2 339.464 3.648 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)s1 ZINC000353581340 1021381404 /nfs/dbraw/zinc/38/14/04/1021381404.db2.gz LBADKRJKACQDJA-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341316116 1021410141 /nfs/dbraw/zinc/41/01/41/1021410141.db2.gz QNHFAPBNTJZYHK-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000439427361 1021424151 /nfs/dbraw/zinc/42/41/51/1021424151.db2.gz DAYAGTPEDKTWFI-ROUUACIJSA-N 1 2 333.497 3.757 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000439427361 1021424156 /nfs/dbraw/zinc/42/41/56/1021424156.db2.gz DAYAGTPEDKTWFI-ROUUACIJSA-N 1 2 333.497 3.757 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c[nH+]1 ZINC000897612798 1032978676 /nfs/dbraw/zinc/97/86/76/1032978676.db2.gz HTLLPXCDGGFWAG-KRWDZBQOSA-N 1 2 325.456 3.560 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000341325637 1021439392 /nfs/dbraw/zinc/43/93/92/1021439392.db2.gz VACFZRMVAOLNRG-GFCCVEGCSA-N 1 2 327.409 3.751 20 0 EHADLO CN(CC(F)F)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425669983 1021451374 /nfs/dbraw/zinc/45/13/74/1021451374.db2.gz DUCDHZQMMYGPFP-UHFFFAOYSA-N 1 2 334.370 3.615 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCOCc1ccccc1 ZINC000439471638 1021464534 /nfs/dbraw/zinc/46/45/34/1021464534.db2.gz GNBZQIOALKYZPB-LJQANCHMSA-N 1 2 345.414 3.579 20 0 EHADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439471638 1021464537 /nfs/dbraw/zinc/46/45/37/1021464537.db2.gz GNBZQIOALKYZPB-LJQANCHMSA-N 1 2 345.414 3.579 20 0 EHADLO C[C@@H](c1ccccc1Br)[NH+]1CCN(c2ccccn2)CC1 ZINC000139489095 1032982125 /nfs/dbraw/zinc/98/21/25/1032982125.db2.gz OFIYKAKIRQPQHJ-AWEZNQCLSA-N 1 2 346.272 3.727 20 0 EHADLO Cn1c[nH+]cc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000439535796 1021521159 /nfs/dbraw/zinc/52/11/59/1021521159.db2.gz JNZOXXSUUKFDPS-UHFFFAOYSA-N 1 2 347.447 3.960 20 0 EHADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000518789213 1021562858 /nfs/dbraw/zinc/56/28/58/1021562858.db2.gz DTNGVPLTYZWISX-ZDUSSCGKSA-N 1 2 332.444 3.639 20 0 EHADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000518789213 1021562870 /nfs/dbraw/zinc/56/28/70/1021562870.db2.gz DTNGVPLTYZWISX-ZDUSSCGKSA-N 1 2 332.444 3.639 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000519645914 1021594429 /nfs/dbraw/zinc/59/44/29/1021594429.db2.gz KTLBCFAERXTAQO-HNNXBMFYSA-N 1 2 343.471 3.675 20 0 EHADLO CC(C)COc1ccc(C(C)(C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000519645914 1021594442 /nfs/dbraw/zinc/59/44/42/1021594442.db2.gz KTLBCFAERXTAQO-HNNXBMFYSA-N 1 2 343.471 3.675 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)s1 ZINC000516621541 1021603953 /nfs/dbraw/zinc/60/39/53/1021603953.db2.gz HZENPMICWYIABD-UHFFFAOYSA-N 1 2 333.457 3.503 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](c1cccnc1)C(C)C ZINC000437170901 1021608184 /nfs/dbraw/zinc/60/81/84/1021608184.db2.gz IZJUIIDCBUPWDO-IBGZPJMESA-N 1 2 342.487 3.519 20 0 EHADLO CC1(C)C[N@H+](Cc2cn3ccsc3n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440552130 1021610211 /nfs/dbraw/zinc/61/02/11/1021610211.db2.gz PEKGHMAANFULNT-GLJUWKHASA-N 1 2 331.485 3.565 20 0 EHADLO CC1(C)C[N@@H+](Cc2cn3ccsc3n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440552130 1021610219 /nfs/dbraw/zinc/61/02/19/1021610219.db2.gz PEKGHMAANFULNT-GLJUWKHASA-N 1 2 331.485 3.565 20 0 EHADLO CC(C)c1ccccc1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000516629490 1021615833 /nfs/dbraw/zinc/61/58/33/1021615833.db2.gz QLFTWSDJLDIVMX-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518841903 1021619606 /nfs/dbraw/zinc/61/96/06/1021619606.db2.gz MVDDMBMSAMDDIH-VQIMIIECSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000083247551 1021689208 /nfs/dbraw/zinc/68/92/08/1021689208.db2.gz RFVQVLHXTOCBOR-LJQANCHMSA-N 1 2 327.472 3.568 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000083247551 1021689217 /nfs/dbraw/zinc/68/92/17/1021689217.db2.gz RFVQVLHXTOCBOR-LJQANCHMSA-N 1 2 327.472 3.568 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CCO2)cc1 ZINC000516734407 1021695926 /nfs/dbraw/zinc/69/59/26/1021695926.db2.gz MYZILLXUUKPEDB-LJQANCHMSA-N 1 2 328.843 3.797 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CCO2)cc1 ZINC000516734407 1021695931 /nfs/dbraw/zinc/69/59/31/1021695931.db2.gz MYZILLXUUKPEDB-LJQANCHMSA-N 1 2 328.843 3.797 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000519809367 1021698103 /nfs/dbraw/zinc/69/81/03/1021698103.db2.gz AVAONMICULNBKJ-NUEKZKHPSA-N 1 2 343.858 3.936 20 0 EHADLO C[C@H](CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000519829155 1021707476 /nfs/dbraw/zinc/70/74/76/1021707476.db2.gz VUBSJRCMNNOTOO-YGRLFVJLSA-N 1 2 345.752 3.907 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)[C@H]1OCCc2sccc21 ZINC000519822768 1021716487 /nfs/dbraw/zinc/71/64/87/1021716487.db2.gz FDWNROZIFXUPBE-BDJLRTHQSA-N 1 2 333.457 3.581 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc(F)c(C)c1 ZINC000891478158 1021720405 /nfs/dbraw/zinc/72/04/05/1021720405.db2.gz ULVRAQYQEYYTNB-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc(F)c(C)c1 ZINC000891478158 1021720416 /nfs/dbraw/zinc/72/04/16/1021720416.db2.gz ULVRAQYQEYYTNB-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO CC[C@@H](F)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000440705021 1021726021 /nfs/dbraw/zinc/72/60/21/1021726021.db2.gz NEFPELPMTSOJJN-MRXNPFEDSA-N 1 2 333.476 3.676 20 0 EHADLO C[C@@H](CC(=O)N1CCC(Oc2ccccc2Cl)CC1)n1cc[nH+]c1 ZINC000516774095 1021731080 /nfs/dbraw/zinc/73/10/80/1021731080.db2.gz GWROMYUXKCSEOW-AWEZNQCLSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC3 ZINC000729480755 1021739548 /nfs/dbraw/zinc/73/95/48/1021739548.db2.gz QDVWEFPIUKRZSX-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC3 ZINC000729480755 1021739561 /nfs/dbraw/zinc/73/95/61/1021739561.db2.gz QDVWEFPIUKRZSX-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000426498207 1021743277 /nfs/dbraw/zinc/74/32/77/1021743277.db2.gz TYNJXSKWBPMMPW-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000426498207 1021743290 /nfs/dbraw/zinc/74/32/90/1021743290.db2.gz TYNJXSKWBPMMPW-UHFFFAOYSA-N 1 2 341.361 3.750 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276555234 1021770810 /nfs/dbraw/zinc/77/08/10/1021770810.db2.gz FWMDZNUQAPLAIW-GDBMZVCRSA-N 1 2 343.496 3.833 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC(C)C)c(C)c1 ZINC000440789379 1021783290 /nfs/dbraw/zinc/78/32/90/1021783290.db2.gz GXPHSLBMIIWNQX-LJQANCHMSA-N 1 2 342.487 3.977 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCOc4ccc(F)cc4C3)ccc2O1 ZINC000426531296 1021830250 /nfs/dbraw/zinc/83/02/50/1021830250.db2.gz HOLMHVSDZRZZAQ-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCOc4ccc(F)cc4C3)ccc2O1 ZINC000426531296 1021830273 /nfs/dbraw/zinc/83/02/73/1021830273.db2.gz HOLMHVSDZRZZAQ-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C(C)C)c(C)c1 ZINC000440878590 1021839029 /nfs/dbraw/zinc/83/90/29/1021839029.db2.gz NJQIJRYFBRONCK-HKUYNNGSSA-N 1 2 342.487 3.833 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2ccsc2S1 ZINC000519084811 1021845347 /nfs/dbraw/zinc/84/53/47/1021845347.db2.gz FVQYKWOABFDVKS-GWCFXTLKSA-N 1 2 343.481 3.643 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000439961980 1021863277 /nfs/dbraw/zinc/86/32/77/1021863277.db2.gz OWCVTLMHPNPKSX-WMLDXEAASA-N 1 2 331.847 3.612 20 0 EHADLO CC(C)(C)c1nnc2n1CCN(c1cc[nH+]c3c(Cl)cccc13)C2 ZINC000664634938 1021869718 /nfs/dbraw/zinc/86/97/18/1021869718.db2.gz MSWCLYRIDYTHGI-UHFFFAOYSA-N 1 2 341.846 3.797 20 0 EHADLO CC[N@H+](Cc1nc([C@@H]2CCCc3cc(OC)ccc32)no1)C1CC1 ZINC000516942678 1021877785 /nfs/dbraw/zinc/87/77/85/1021877785.db2.gz BCANLUKCZZVUFC-QGZVFWFLSA-N 1 2 327.428 3.531 20 0 EHADLO CC[N@@H+](Cc1nc([C@@H]2CCCc3cc(OC)ccc32)no1)C1CC1 ZINC000516942678 1021877793 /nfs/dbraw/zinc/87/77/93/1021877793.db2.gz BCANLUKCZZVUFC-QGZVFWFLSA-N 1 2 327.428 3.531 20 0 EHADLO Cc1cccn2c(CNc3cc(Br)ccc3CO)c[nH+]c12 ZINC000341433594 1021880071 /nfs/dbraw/zinc/88/00/71/1021880071.db2.gz NKUYCVXREHSDOQ-UHFFFAOYSA-N 1 2 346.228 3.510 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000469564832 1021883909 /nfs/dbraw/zinc/88/39/09/1021883909.db2.gz FGJVWXRXRCHFAQ-LJQANCHMSA-N 1 2 339.826 3.820 20 0 EHADLO FC1(F)CC2(C[NH+](Cc3c[nH]c4ncc(Br)cc34)C2)C1 ZINC001140458727 1021889099 /nfs/dbraw/zinc/88/90/99/1021889099.db2.gz VWHAJZONKNXNMN-UHFFFAOYSA-N 1 2 342.187 3.557 20 0 EHADLO CSc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000437509584 1021900747 /nfs/dbraw/zinc/90/07/47/1021900747.db2.gz VTMOXBWZIZAXEN-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1Cl ZINC000891551676 1021907001 /nfs/dbraw/zinc/90/70/01/1021907001.db2.gz IJOJDILMGWANAS-UHFFFAOYSA-N 1 2 341.846 3.548 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1Cl ZINC000891551676 1021907005 /nfs/dbraw/zinc/90/70/05/1021907005.db2.gz IJOJDILMGWANAS-UHFFFAOYSA-N 1 2 341.846 3.548 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cncc(F)c1 ZINC001270235734 1021959196 /nfs/dbraw/zinc/95/91/96/1021959196.db2.gz OLEGVGUKRNWNHJ-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)c1c[nH]c3ccccc13)C2 ZINC000441106644 1021991022 /nfs/dbraw/zinc/99/10/22/1021991022.db2.gz RZZNMXQSBUCCJC-UHFFFAOYSA-N 1 2 334.419 3.808 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)c1c[nH]c3ccccc13)C2 ZINC000441106644 1021991033 /nfs/dbraw/zinc/99/10/33/1021991033.db2.gz RZZNMXQSBUCCJC-UHFFFAOYSA-N 1 2 334.419 3.808 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000593723603 1033021005 /nfs/dbraw/zinc/02/10/05/1033021005.db2.gz ZTPJAYSFVMBVBN-VLIAUNLRSA-N 1 2 343.471 3.668 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 ZINC000506790723 1022021302 /nfs/dbraw/zinc/02/13/02/1022021302.db2.gz SJZSLKXILXOAOK-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 ZINC000506790723 1022021318 /nfs/dbraw/zinc/02/13/18/1022021318.db2.gz SJZSLKXILXOAOK-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO CCCCOc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1OC ZINC000341504137 1022043877 /nfs/dbraw/zinc/04/38/77/1022043877.db2.gz QOWMVRHPZBYIJK-UHFFFAOYSA-N 1 2 341.455 3.884 20 0 EHADLO Cc1nsc(C)c1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000426622641 1022056621 /nfs/dbraw/zinc/05/66/21/1022056621.db2.gz IEFAVIBQNHWSRU-UHFFFAOYSA-N 1 2 337.408 3.722 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1cccnc1N1CCCC1 ZINC000426622580 1022058912 /nfs/dbraw/zinc/05/89/12/1022058912.db2.gz HNDMAMZWHGXWEP-UHFFFAOYSA-N 1 2 348.410 3.512 20 0 EHADLO Fc1ccc(-n2ccc(C[NH2+]C3(c4ccc(F)cc4)CC3)n2)cc1 ZINC000440290454 1022068163 /nfs/dbraw/zinc/06/81/63/1022068163.db2.gz IGEGJVOLBZMSSR-UHFFFAOYSA-N 1 2 325.362 3.929 20 0 EHADLO c1ccc([C@@H]2CC[C@H](Nc3cccc(CN4CCOCC4)[nH+]3)C2)cc1 ZINC000437772998 1022130002 /nfs/dbraw/zinc/13/00/02/1022130002.db2.gz JHBMVEHNUAWNHZ-MOPGFXCFSA-N 1 2 337.467 3.662 20 0 EHADLO Cc1nc(C[NH2+]Cc2cnc(-c3ccco3)s2)nc2ccccc12 ZINC000574345282 1033031116 /nfs/dbraw/zinc/03/11/16/1033031116.db2.gz YJSYBCBQCYLLGV-UHFFFAOYSA-N 1 2 336.420 3.945 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000517218016 1022139010 /nfs/dbraw/zinc/13/90/10/1022139010.db2.gz PFRVXQSJYIJLLP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnccc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000517218016 1022139020 /nfs/dbraw/zinc/13/90/20/1022139020.db2.gz PFRVXQSJYIJLLP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(C2CC2)n1 ZINC000891643458 1022196135 /nfs/dbraw/zinc/19/61/35/1022196135.db2.gz BRDIIOQZKGYLKT-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(C2CC2)n1 ZINC000891643458 1022196138 /nfs/dbraw/zinc/19/61/38/1022196138.db2.gz BRDIIOQZKGYLKT-NRFANRHFSA-N 1 2 332.451 3.704 20 0 EHADLO Cc1ccc(CC[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000473909221 1022260357 /nfs/dbraw/zinc/26/03/57/1022260357.db2.gz AUCBVRNIPSWJCF-QGZVFWFLSA-N 1 2 329.465 3.573 20 0 EHADLO Cc1ccc(CC[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000473909221 1022260366 /nfs/dbraw/zinc/26/03/66/1022260366.db2.gz AUCBVRNIPSWJCF-QGZVFWFLSA-N 1 2 329.465 3.573 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000473907619 1022261260 /nfs/dbraw/zinc/26/12/60/1022261260.db2.gz BXIGSKLRWZYXSF-MRXNPFEDSA-N 1 2 328.460 3.770 20 0 EHADLO CN(C)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000473907619 1022261261 /nfs/dbraw/zinc/26/12/61/1022261261.db2.gz BXIGSKLRWZYXSF-MRXNPFEDSA-N 1 2 328.460 3.770 20 0 EHADLO CC[C@H]1C[C@@H](C)CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000073328365 1022285662 /nfs/dbraw/zinc/28/56/62/1022285662.db2.gz ZFTQYRYIKZFWJT-ZBFHGGJFSA-N 1 2 331.485 3.523 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000517409998 1022314817 /nfs/dbraw/zinc/31/48/17/1022314817.db2.gz GFABYPJHRNYUIN-WOJBJXKFSA-N 1 2 333.435 3.736 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncnc(Cl)c1-c1ccccc1 ZINC001167993431 1022348537 /nfs/dbraw/zinc/34/85/37/1022348537.db2.gz RAWNKTFAMXDPSA-UHFFFAOYSA-N 1 2 341.777 3.968 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000506174661 1022366599 /nfs/dbraw/zinc/36/65/99/1022366599.db2.gz JDEBWAGLYFJCNE-SFHVURJKSA-N 1 2 343.434 3.802 20 0 EHADLO Cc1cn([C@H](C)c2ccccc2)nc1NCc1c[nH+]c2ccc(C)cn12 ZINC000471813980 1022367125 /nfs/dbraw/zinc/36/71/25/1022367125.db2.gz ADCGWLONPWNPLV-QGZVFWFLSA-N 1 2 345.450 3.791 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccco1 ZINC000172937752 1033049249 /nfs/dbraw/zinc/04/92/49/1033049249.db2.gz POFRIJSYTOBEHE-UHFFFAOYSA-N 1 2 332.473 3.825 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccco1 ZINC000172937752 1033049263 /nfs/dbraw/zinc/04/92/63/1033049263.db2.gz POFRIJSYTOBEHE-UHFFFAOYSA-N 1 2 332.473 3.825 20 0 EHADLO C[N@H+](Cc1csc(C(F)(F)F)n1)C[C@@](C)(O)c1ccccc1 ZINC000895011152 1022380076 /nfs/dbraw/zinc/38/00/76/1022380076.db2.gz BDVWQHOZENWNFZ-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1csc(C(F)(F)F)n1)C[C@@](C)(O)c1ccccc1 ZINC000895011152 1022380093 /nfs/dbraw/zinc/38/00/93/1022380093.db2.gz BDVWQHOZENWNFZ-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO CSc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)o1 ZINC000894496667 1022417777 /nfs/dbraw/zinc/41/77/77/1022417777.db2.gz DNUQJPHKCSOVOJ-UHFFFAOYSA-N 1 2 339.407 3.763 20 0 EHADLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1c1cccnc1 ZINC000664824041 1022447580 /nfs/dbraw/zinc/44/75/80/1022447580.db2.gz RVMMXOFYPQKFJG-LBPRGKRZSA-N 1 2 338.320 3.679 20 0 EHADLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1c1cccnc1 ZINC000664824041 1022447593 /nfs/dbraw/zinc/44/75/93/1022447593.db2.gz RVMMXOFYPQKFJG-LBPRGKRZSA-N 1 2 338.320 3.679 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3CCCC34CCOCC4)c12 ZINC000328679195 1022466212 /nfs/dbraw/zinc/46/62/12/1022466212.db2.gz TYJNGUNHOWZZQO-KRWDZBQOSA-N 1 2 349.438 3.577 20 0 EHADLO Cn1c(=S)n(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1ccccc1Cl ZINC000172943080 1033056857 /nfs/dbraw/zinc/05/68/57/1033056857.db2.gz REIFNZZUQYDFOT-BETUJISGSA-N 1 2 348.903 3.817 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1ccccc1Cl ZINC000172943080 1033056875 /nfs/dbraw/zinc/05/68/75/1033056875.db2.gz REIFNZZUQYDFOT-BETUJISGSA-N 1 2 348.903 3.817 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 ZINC000780349192 1022509367 /nfs/dbraw/zinc/50/93/67/1022509367.db2.gz AZMMXGMEMQUBAT-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 ZINC000780349192 1022509375 /nfs/dbraw/zinc/50/93/75/1022509375.db2.gz AZMMXGMEMQUBAT-FQEVSTJZSA-N 1 2 334.419 3.971 20 0 EHADLO CCCCc1ccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469388409 1022532489 /nfs/dbraw/zinc/53/24/89/1022532489.db2.gz KRWIDCGJTRRZGU-YLJYHZDGSA-N 1 2 339.483 3.878 20 0 EHADLO CC1(C)C[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1c1ccncc1 ZINC000664830072 1022544818 /nfs/dbraw/zinc/54/48/18/1022544818.db2.gz GZVAYHZFGBOWMU-SFHVURJKSA-N 1 2 336.439 3.610 20 0 EHADLO CC1(C)C[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1c1ccncc1 ZINC000664830072 1022544825 /nfs/dbraw/zinc/54/48/25/1022544825.db2.gz GZVAYHZFGBOWMU-SFHVURJKSA-N 1 2 336.439 3.610 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cnnn2-c2ccccc2)cs1 ZINC000925031476 1022576626 /nfs/dbraw/zinc/57/66/26/1022576626.db2.gz AQCZRNDMYRKWMJ-QWHCGFSZSA-N 1 2 327.457 3.698 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3CCCC3)n2)C1 ZINC000145169531 1033066262 /nfs/dbraw/zinc/06/62/62/1033066262.db2.gz JBZXNFZRJCQGLB-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3CCCC3)n2)C1 ZINC000145169531 1033066280 /nfs/dbraw/zinc/06/62/80/1033066280.db2.gz JBZXNFZRJCQGLB-ZDUSSCGKSA-N 1 2 336.505 3.781 20 0 EHADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894582769 1022587305 /nfs/dbraw/zinc/58/73/05/1022587305.db2.gz PSHRYUBQNZXAAX-UHFFFAOYSA-N 1 2 336.414 3.633 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835378 1022626228 /nfs/dbraw/zinc/62/62/28/1022626228.db2.gz FBYROSOOIMDRBY-JXFKEZNVSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835378 1022626236 /nfs/dbraw/zinc/62/62/36/1022626236.db2.gz FBYROSOOIMDRBY-JXFKEZNVSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC=CCC3)n2)O1 ZINC000665005454 1022666265 /nfs/dbraw/zinc/66/62/65/1022666265.db2.gz JFJYAMPOGRVYNL-NXHRZFHOSA-N 1 2 339.439 3.855 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC=CCC3)n2)O1 ZINC000665005454 1022666276 /nfs/dbraw/zinc/66/62/76/1022666276.db2.gz JFJYAMPOGRVYNL-NXHRZFHOSA-N 1 2 339.439 3.855 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430770951 1022675433 /nfs/dbraw/zinc/67/54/33/1022675433.db2.gz ARNKHWXZRLFPQT-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000430770951 1022675441 /nfs/dbraw/zinc/67/54/41/1022675441.db2.gz ARNKHWXZRLFPQT-UHFFFAOYSA-N 1 2 346.496 3.579 20 0 EHADLO CC(C)c1ccc(SCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000517796542 1022678444 /nfs/dbraw/zinc/67/84/44/1022678444.db2.gz UIEHEWCURZHFEM-UHFFFAOYSA-N 1 2 331.485 3.695 20 0 EHADLO CCC[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009170 1022690782 /nfs/dbraw/zinc/69/07/82/1022690782.db2.gz KIPATDYYSYLYIH-UXLLHSPISA-N 1 2 329.444 3.935 20 0 EHADLO CCC[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009170 1022690800 /nfs/dbraw/zinc/69/08/00/1022690800.db2.gz KIPATDYYSYLYIH-UXLLHSPISA-N 1 2 329.444 3.935 20 0 EHADLO Clc1cccc(-n2cc[nH+]c2)c1CNCc1nnc(C2CC2)s1 ZINC000894659498 1022691192 /nfs/dbraw/zinc/69/11/92/1022691192.db2.gz UAAURXVCQWZATF-UHFFFAOYSA-N 1 2 345.859 3.544 20 0 EHADLO CC(C)CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000440464188 1022707209 /nfs/dbraw/zinc/70/72/09/1022707209.db2.gz QKYVJYIPFRHVKG-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000341635529 1022719975 /nfs/dbraw/zinc/71/99/75/1022719975.db2.gz CIZVJVSVPBUVBN-PNESKVBLSA-N 1 2 327.494 3.662 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000341635529 1022719987 /nfs/dbraw/zinc/71/99/87/1022719987.db2.gz CIZVJVSVPBUVBN-PNESKVBLSA-N 1 2 327.494 3.662 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)CCC=C2 ZINC000341641983 1022757493 /nfs/dbraw/zinc/75/74/93/1022757493.db2.gz SAYNTAXLDGNNIV-UHFFFAOYSA-N 1 2 347.393 3.901 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nncn2-c2ccccc2)c1C ZINC000073969299 1022760087 /nfs/dbraw/zinc/76/00/87/1022760087.db2.gz JAQDTLZVRZWZDG-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)n1 ZINC000438550874 1022793689 /nfs/dbraw/zinc/79/36/89/1022793689.db2.gz CDUPTNGARSUEII-FZKQIMNGSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)n1 ZINC000438550874 1022793700 /nfs/dbraw/zinc/79/37/00/1022793700.db2.gz CDUPTNGARSUEII-FZKQIMNGSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1cn2cc(NC(=O)NC3(Cc4ccccc4)CCC3)ccc2[nH+]1 ZINC000473797868 1022813065 /nfs/dbraw/zinc/81/30/65/1022813065.db2.gz BAHKEEUJFWOKOJ-UHFFFAOYSA-N 1 2 334.423 3.930 20 0 EHADLO CCc1cccc(OCC[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000510649239 1022828245 /nfs/dbraw/zinc/82/82/45/1022828245.db2.gz XDOFAIUENKOPAK-UHFFFAOYSA-N 1 2 343.452 3.871 20 0 EHADLO CCc1cccc(OCC[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000510649239 1022828259 /nfs/dbraw/zinc/82/82/59/1022828259.db2.gz XDOFAIUENKOPAK-UHFFFAOYSA-N 1 2 343.452 3.871 20 0 EHADLO CCc1nc(C[NH2+]Cc2cc(Cl)cc(Br)c2)co1 ZINC000894746196 1022828878 /nfs/dbraw/zinc/82/88/78/1022828878.db2.gz UZKVWPXXMJQRPC-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000441446756 1022842386 /nfs/dbraw/zinc/84/23/86/1022842386.db2.gz LQUZTUVEDMJPDM-YJBOKZPZSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1oc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000441446756 1022842398 /nfs/dbraw/zinc/84/23/98/1022842398.db2.gz LQUZTUVEDMJPDM-YJBOKZPZSA-N 1 2 343.423 3.645 20 0 EHADLO CN(Cc1ccc(N)[nH+]c1)c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000127114809 1022875580 /nfs/dbraw/zinc/87/55/80/1022875580.db2.gz ONPQDXFFJZJKGJ-UHFFFAOYSA-N 1 2 334.210 3.550 20 0 EHADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cccc2[nH+]ccn21 ZINC000188754105 1022887716 /nfs/dbraw/zinc/88/77/16/1022887716.db2.gz IXOJZZCFMQYCEP-KDOFPFPSSA-N 1 2 341.842 3.950 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)[nH]1 ZINC000894777420 1022890577 /nfs/dbraw/zinc/89/05/77/1022890577.db2.gz JVGYCWURWUKSAP-GFCCVEGCSA-N 1 2 327.457 3.704 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1)[NH+]1CCOCC1 ZINC000438651775 1022901321 /nfs/dbraw/zinc/90/13/21/1022901321.db2.gz BHRBXQHIQULJLI-HOTGVXAUSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000607377631 1033093157 /nfs/dbraw/zinc/09/31/57/1033093157.db2.gz XJMKSQNWHPPQJV-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)cc1F ZINC000426147682 1022994160 /nfs/dbraw/zinc/99/41/60/1022994160.db2.gz HHYFXZKOFIOPOK-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)cc1F ZINC000426147682 1022994168 /nfs/dbraw/zinc/99/41/68/1022994168.db2.gz HHYFXZKOFIOPOK-UHFFFAOYSA-N 1 2 345.414 3.800 20 0 EHADLO COCc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341686122 1023005114 /nfs/dbraw/zinc/00/51/14/1023005114.db2.gz BFMDPKYLCIPWQB-SFHVURJKSA-N 1 2 335.407 3.717 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000341685574 1023015719 /nfs/dbraw/zinc/01/57/19/1023015719.db2.gz SKKLVBKZZGHWKH-UHFFFAOYSA-N 1 2 328.359 3.949 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[NH2+]C2(c3ccc(F)cc3)CC2)cs1 ZINC000341692615 1023031520 /nfs/dbraw/zinc/03/15/20/1023031520.db2.gz DPFMWAFQMLUMHX-UHFFFAOYSA-N 1 2 348.443 3.555 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000933818962 1023040330 /nfs/dbraw/zinc/04/03/30/1023040330.db2.gz DGJTWXNPGKTEKN-UHFFFAOYSA-N 1 2 334.423 3.793 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000933818962 1023040339 /nfs/dbraw/zinc/04/03/39/1023040339.db2.gz DGJTWXNPGKTEKN-UHFFFAOYSA-N 1 2 334.423 3.793 20 0 EHADLO Cc1nnc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)n1C1CC1 ZINC000341695760 1023047745 /nfs/dbraw/zinc/04/77/45/1023047745.db2.gz CZBYRTDTMSAZNT-HXUWFJFHSA-N 1 2 348.450 3.831 20 0 EHADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000276826971 1023076426 /nfs/dbraw/zinc/07/64/26/1023076426.db2.gz QGESYAHOWQGXJF-CYBMUJFWSA-N 1 2 346.780 3.556 20 0 EHADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000276826971 1023076435 /nfs/dbraw/zinc/07/64/35/1023076435.db2.gz QGESYAHOWQGXJF-CYBMUJFWSA-N 1 2 346.780 3.556 20 0 EHADLO Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]Cc1ncccn1 ZINC000518218222 1023126061 /nfs/dbraw/zinc/12/60/61/1023126061.db2.gz CNWXTWZIVRGEFT-ZDUSSCGKSA-N 1 2 338.636 3.670 20 0 EHADLO COc1ccsc1C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000507191527 1023183617 /nfs/dbraw/zinc/18/36/17/1023183617.db2.gz HZTZZYLCPJILIX-UHFFFAOYSA-N 1 2 333.453 3.939 20 0 EHADLO COc1ccsc1C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000507191527 1023183625 /nfs/dbraw/zinc/18/36/25/1023183625.db2.gz HZTZZYLCPJILIX-UHFFFAOYSA-N 1 2 333.453 3.939 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000510797011 1023185601 /nfs/dbraw/zinc/18/56/01/1023185601.db2.gz LTHHYEZQEUWMEQ-BXKDBHETSA-N 1 2 335.753 3.899 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000510797011 1023185606 /nfs/dbraw/zinc/18/56/06/1023185606.db2.gz LTHHYEZQEUWMEQ-BXKDBHETSA-N 1 2 335.753 3.899 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2ccccc2)n1C ZINC000190456770 1023202099 /nfs/dbraw/zinc/20/20/99/1023202099.db2.gz MAIBOYUGJOFWFU-UHFFFAOYSA-N 1 2 345.450 3.986 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2ccccc2)n1C ZINC000190456770 1023202105 /nfs/dbraw/zinc/20/21/05/1023202105.db2.gz MAIBOYUGJOFWFU-UHFFFAOYSA-N 1 2 345.450 3.986 20 0 EHADLO COc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441493870 1023229747 /nfs/dbraw/zinc/22/97/47/1023229747.db2.gz UJBLKJIXPQDIGO-FQEVSTJZSA-N 1 2 349.434 3.680 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)o1 ZINC000664866237 1023246321 /nfs/dbraw/zinc/24/63/21/1023246321.db2.gz CBCAXTCFJJXODK-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)o1 ZINC000664866237 1023246337 /nfs/dbraw/zinc/24/63/37/1023246337.db2.gz CBCAXTCFJJXODK-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000439064597 1023254961 /nfs/dbraw/zinc/25/49/61/1023254961.db2.gz MQWZKMLVQSJYHS-OAHLLOKOSA-N 1 2 327.472 3.663 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC000190182087 1023268039 /nfs/dbraw/zinc/26/80/39/1023268039.db2.gz WFQDAMILJYIVIX-ZDUSSCGKSA-N 1 2 338.377 3.622 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(N)c3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC000190182087 1023268042 /nfs/dbraw/zinc/26/80/42/1023268042.db2.gz WFQDAMILJYIVIX-ZDUSSCGKSA-N 1 2 338.377 3.622 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N1CC(n4cc[nH+]c4)C1)(C2)C3 ZINC000548457179 1023348987 /nfs/dbraw/zinc/34/89/87/1023348987.db2.gz PRIYBKDATVOMJD-UHFFFAOYSA-N 1 2 327.472 3.653 20 0 EHADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cn1c2ccccc2oc1=S ZINC000176123599 1023513806 /nfs/dbraw/zinc/51/38/06/1023513806.db2.gz LEUAEHAFWBYBMC-HSZRJFAPSA-N 1 2 346.477 3.791 20 0 EHADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cn1c2ccccc2oc1=S ZINC000176123599 1023513810 /nfs/dbraw/zinc/51/38/10/1023513810.db2.gz LEUAEHAFWBYBMC-HSZRJFAPSA-N 1 2 346.477 3.791 20 0 EHADLO COc1ccc2oc(C[NH2+]Cc3nc(C)c4ccccc4n3)cc2c1 ZINC000535714372 1023579048 /nfs/dbraw/zinc/57/90/48/1023579048.db2.gz GSIOEWUYMBBSET-UHFFFAOYSA-N 1 2 333.391 3.983 20 0 EHADLO CCCOc1c(Cl)cc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OC ZINC000535747880 1023604698 /nfs/dbraw/zinc/60/46/98/1023604698.db2.gz NXPWHMPHVBTZNT-UHFFFAOYSA-N 1 2 348.830 3.823 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1cscn1 ZINC000535777393 1023628165 /nfs/dbraw/zinc/62/81/65/1023628165.db2.gz DCRCQILPUUHFAX-CYBMUJFWSA-N 1 2 338.436 3.641 20 0 EHADLO CC[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1Cl ZINC000535785444 1023632822 /nfs/dbraw/zinc/63/28/22/1023632822.db2.gz HNXGIMOIJSGOTR-UHFFFAOYSA-N 1 2 330.863 3.752 20 0 EHADLO CC[N@@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1Cl ZINC000535785444 1023632830 /nfs/dbraw/zinc/63/28/30/1023632830.db2.gz HNXGIMOIJSGOTR-UHFFFAOYSA-N 1 2 330.863 3.752 20 0 EHADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276988864 1023670078 /nfs/dbraw/zinc/67/00/78/1023670078.db2.gz SIHHXOWTTXKJBA-GOSISDBHSA-N 1 2 341.455 3.999 20 0 EHADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276988864 1023670084 /nfs/dbraw/zinc/67/00/84/1023670084.db2.gz SIHHXOWTTXKJBA-GOSISDBHSA-N 1 2 341.455 3.999 20 0 EHADLO CCC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nnc2ccccn21 ZINC000341910897 1023671096 /nfs/dbraw/zinc/67/10/96/1023671096.db2.gz MRBYUEWRIYCKKV-AWEZNQCLSA-N 1 2 349.360 3.774 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)s1 ZINC000602774789 1033154175 /nfs/dbraw/zinc/15/41/75/1033154175.db2.gz BHZVUQQWIJVQQT-JTQLQIEISA-N 1 2 339.486 3.586 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)s1 ZINC000602774789 1033154181 /nfs/dbraw/zinc/15/41/81/1033154181.db2.gz BHZVUQQWIJVQQT-JTQLQIEISA-N 1 2 339.486 3.586 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341996883 1023755815 /nfs/dbraw/zinc/75/58/15/1023755815.db2.gz SRUDEJGHDDYNQW-NSHDSACASA-N 1 2 339.361 3.799 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000342056529 1023807948 /nfs/dbraw/zinc/80/79/48/1023807948.db2.gz NPAUNHKJSJJUKP-MUYFXNHWSA-N 1 2 340.471 3.545 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(SC)c(OC)c2)[nH]1 ZINC000277142101 1023827323 /nfs/dbraw/zinc/82/73/23/1023827323.db2.gz DWQYDUVRNGECNW-NWDGAFQWSA-N 1 2 334.489 3.900 20 0 EHADLO COc1ccccc1CC(C)(C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000458293046 1023854487 /nfs/dbraw/zinc/85/44/87/1023854487.db2.gz WWFPJZRSTUZLEA-UHFFFAOYSA-N 1 2 341.455 3.528 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000449751452 1033167460 /nfs/dbraw/zinc/16/74/60/1033167460.db2.gz YPWGREDLHVATQY-UHFFFAOYSA-N 1 2 332.831 3.822 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1Br ZINC000398468205 1023960896 /nfs/dbraw/zinc/96/08/96/1023960896.db2.gz MCUHWLFGVDBGFS-RKDXNWHRSA-N 1 2 342.262 3.721 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cccc2cc[nH]c21 ZINC000548506493 1023963786 /nfs/dbraw/zinc/96/37/86/1023963786.db2.gz DTJZORYALIVBMJ-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO Cc1nc(N2CCCC[C@H]2c2nnc(C(C)C)[nH]2)c2c([nH+]1)CCCC2 ZINC000329650039 1023977260 /nfs/dbraw/zinc/97/72/60/1023977260.db2.gz CDJSXIPSOVXHCY-INIZCTEOSA-N 1 2 340.475 3.637 20 0 EHADLO COc1ccc2[nH]cc(C3CCN(c4nccn5c[nH+]cc45)CC3)c2c1 ZINC000891977191 1023998088 /nfs/dbraw/zinc/99/80/88/1023998088.db2.gz SSXWZKPJIIJQFW-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000167449961 1024051540 /nfs/dbraw/zinc/05/15/40/1024051540.db2.gz LSMICYCDMAJSKS-LJQANCHMSA-N 1 2 332.407 3.553 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OC ZINC000434469542 1024057743 /nfs/dbraw/zinc/05/77/43/1024057743.db2.gz JEYFCUJDGNJFNG-CQSZACIVSA-N 1 2 332.448 3.507 20 0 EHADLO FC1(c2ccccc2)CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000434491221 1024078953 /nfs/dbraw/zinc/07/89/53/1024078953.db2.gz IEGBWUIXXBWHRN-UHFFFAOYSA-N 1 2 336.414 3.728 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823007 1033191098 /nfs/dbraw/zinc/19/10/98/1033191098.db2.gz IQRYLRVELKDXEA-JQWIXIFHSA-N 1 2 346.349 3.577 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823007 1033191105 /nfs/dbraw/zinc/19/11/05/1033191105.db2.gz IQRYLRVELKDXEA-JQWIXIFHSA-N 1 2 346.349 3.577 20 0 EHADLO Cc1cc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895083122 1024123459 /nfs/dbraw/zinc/12/34/59/1024123459.db2.gz SNPDUPAFRSYALK-YPMHNXCESA-N 1 2 329.366 3.599 20 0 EHADLO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000474093084 1024132882 /nfs/dbraw/zinc/13/28/82/1024132882.db2.gz ATOJJLCUHRLEKO-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000474093084 1024132890 /nfs/dbraw/zinc/13/28/90/1024132890.db2.gz ATOJJLCUHRLEKO-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000514102950 1024132633 /nfs/dbraw/zinc/13/26/33/1024132633.db2.gz XOYYWLVGYCRGOX-RHSMWYFYSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000514102950 1024132643 /nfs/dbraw/zinc/13/26/43/1024132643.db2.gz XOYYWLVGYCRGOX-RHSMWYFYSA-N 1 2 335.806 3.796 20 0 EHADLO Cc1cccn2cc(CC(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)[nH+]c12 ZINC000607578270 1033188335 /nfs/dbraw/zinc/18/83/35/1033188335.db2.gz FVPIBHQUUIHGTM-MBOZVWFJSA-N 1 2 347.462 3.978 20 0 EHADLO COC[C@@H](C)N(C)c1cc(C)[nH+]c2c(OC(F)(F)F)cccc12 ZINC000522646738 1024141771 /nfs/dbraw/zinc/14/17/71/1024141771.db2.gz BTOKKAYQEPLEFB-LLVKDONJSA-N 1 2 328.334 3.913 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccoc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000170983407 1024169949 /nfs/dbraw/zinc/16/99/49/1024169949.db2.gz UJEJVRULPJIFLU-OAHLLOKOSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1csc(-c2ccoc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000170983407 1024169957 /nfs/dbraw/zinc/16/99/57/1024169957.db2.gz UJEJVRULPJIFLU-OAHLLOKOSA-N 1 2 342.420 3.675 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CC[C@H](C)C(C)(C)C3)n2c(C)c1C ZINC000759000280 1024175203 /nfs/dbraw/zinc/17/52/03/1024175203.db2.gz PTTMDFUHYORMJH-NSHDSACASA-N 1 2 333.505 3.511 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CC[C@H](C)C(C)(C)C3)n2c(C)c1C ZINC000759000280 1024175211 /nfs/dbraw/zinc/17/52/11/1024175211.db2.gz PTTMDFUHYORMJH-NSHDSACASA-N 1 2 333.505 3.511 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4o3)C2)no1 ZINC000329806875 1024203052 /nfs/dbraw/zinc/20/30/52/1024203052.db2.gz LKUKWXCICSYCIS-LBPRGKRZSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)no1 ZINC000329806875 1024203072 /nfs/dbraw/zinc/20/30/72/1024203072.db2.gz LKUKWXCICSYCIS-LBPRGKRZSA-N 1 2 344.390 3.853 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000761044956 1033194118 /nfs/dbraw/zinc/19/41/18/1033194118.db2.gz MVMATCYYXDDAHQ-FZMZJTMJSA-N 1 2 348.434 3.836 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000761044956 1033194125 /nfs/dbraw/zinc/19/41/25/1033194125.db2.gz MVMATCYYXDDAHQ-FZMZJTMJSA-N 1 2 348.434 3.836 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(C)s1 ZINC000443616409 1024255308 /nfs/dbraw/zinc/25/53/08/1024255308.db2.gz RQMOZZSKLSOZQO-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443639370 1024289595 /nfs/dbraw/zinc/28/95/95/1024289595.db2.gz NTBZKWWXJGZBBW-HOCLYGCPSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443639370 1024289609 /nfs/dbraw/zinc/28/96/09/1024289609.db2.gz NTBZKWWXJGZBBW-HOCLYGCPSA-N 1 2 344.842 3.820 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000505468025 1024291731 /nfs/dbraw/zinc/29/17/31/1024291731.db2.gz IOIIXQFDGCAEDT-GOSISDBHSA-N 1 2 346.833 3.503 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152388351 1024309866 /nfs/dbraw/zinc/30/98/66/1024309866.db2.gz SHFYRXLOIBTQJA-SJORKVTESA-N 1 2 332.806 3.654 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152388351 1024309881 /nfs/dbraw/zinc/30/98/81/1024309881.db2.gz SHFYRXLOIBTQJA-SJORKVTESA-N 1 2 332.806 3.654 20 0 EHADLO O=C(Cc1cccc2ccccc21)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505475381 1024309942 /nfs/dbraw/zinc/30/99/42/1024309942.db2.gz BCVPEQAWCAFNSH-OAQYLSRUSA-N 1 2 348.421 3.695 20 0 EHADLO c1ccc(Cc2nccc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895352479 1024366470 /nfs/dbraw/zinc/36/64/70/1024366470.db2.gz MNODLIXRHORXIJ-UHFFFAOYSA-N 1 2 345.450 3.543 20 0 EHADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1nnn(-c3ccccc3)c1C1CC1)CC2 ZINC000639318342 1024375929 /nfs/dbraw/zinc/37/59/29/1024375929.db2.gz SCSHULAOILCQOA-IBGZPJMESA-N 1 2 346.434 3.627 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)o1 ZINC000520666523 1024385122 /nfs/dbraw/zinc/38/51/22/1024385122.db2.gz CSRGYPDAHUYIRS-BEFAXECRSA-N 1 2 349.434 3.507 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425189082 1024416630 /nfs/dbraw/zinc/41/66/30/1024416630.db2.gz LIPHFLJRBOMGIX-AEFFLSMTSA-N 1 2 325.456 3.970 20 0 EHADLO CCC[C@@H]1SCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194775 1024425499 /nfs/dbraw/zinc/42/54/99/1024425499.db2.gz RERXAPGHRRAZHA-RDJZCZTQSA-N 1 2 329.469 3.633 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000152419748 1024432521 /nfs/dbraw/zinc/43/25/21/1024432521.db2.gz JSFRFRCWMODDHK-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895388495 1024446977 /nfs/dbraw/zinc/44/69/77/1024446977.db2.gz NHGHWJDEGCZHBT-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895388495 1024446988 /nfs/dbraw/zinc/44/69/88/1024446988.db2.gz NHGHWJDEGCZHBT-UHFFFAOYSA-N 1 2 342.386 3.815 20 0 EHADLO CS[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C ZINC000425229233 1024465471 /nfs/dbraw/zinc/46/54/71/1024465471.db2.gz BHCYHAJDYJWJFP-HOTGVXAUSA-N 1 2 345.512 3.826 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505551173 1024469819 /nfs/dbraw/zinc/46/98/19/1024469819.db2.gz QXWMLAWTROASIA-NRFANRHFSA-N 1 2 348.421 3.695 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614656727 1024471853 /nfs/dbraw/zinc/47/18/53/1024471853.db2.gz FDQGYTDWOPPIAF-MSOLQXFVSA-N 1 2 339.483 4.000 20 0 EHADLO CCc1cccc(Cl)c1C[NH2+]Cc1cnc(Br)cn1 ZINC000895407327 1024480645 /nfs/dbraw/zinc/48/06/45/1024480645.db2.gz ACROSXQXEFORQW-UHFFFAOYSA-N 1 2 340.652 3.745 20 0 EHADLO CCOc1cc(C)ccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000151717481 1024489526 /nfs/dbraw/zinc/48/95/26/1024489526.db2.gz UAKHKVVZCZFKMD-HXUWFJFHSA-N 1 2 338.451 3.503 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000897862905 1033214852 /nfs/dbraw/zinc/21/48/52/1033214852.db2.gz UIGSAOZEEUWXNK-UHFFFAOYSA-N 1 2 344.480 3.991 20 0 EHADLO Cc1c2cccc(C)c2oc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245300 1024524128 /nfs/dbraw/zinc/52/41/28/1024524128.db2.gz TUNXXQHLAOMIAO-UHFFFAOYSA-N 1 2 334.419 3.795 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Nc3ncccn3)CC2)cc1Cl ZINC000033873024 1024528778 /nfs/dbraw/zinc/52/87/78/1024528778.db2.gz YZXRENDGSHBOSX-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000505584798 1024530279 /nfs/dbraw/zinc/53/02/79/1024530279.db2.gz BWPXKCJNTBXYDT-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000505584798 1024530290 /nfs/dbraw/zinc/53/02/90/1024530290.db2.gz BWPXKCJNTBXYDT-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346237705 1024551821 /nfs/dbraw/zinc/55/18/21/1024551821.db2.gz SDFBSDQGSFRUHV-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCCC3)cc2)c[nH+]1 ZINC000895472488 1024555983 /nfs/dbraw/zinc/55/59/83/1024555983.db2.gz ITDNCTDSNLACFD-UHFFFAOYSA-N 1 2 326.444 3.556 20 0 EHADLO Cc1[nH+]cc(CN2CCOc3c(F)cccc3C2)n1-c1ccccc1 ZINC000435042619 1024564120 /nfs/dbraw/zinc/56/41/20/1024564120.db2.gz NICQITOOTYZWRI-UHFFFAOYSA-N 1 2 337.398 3.714 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccc(Cl)cc1OC(C)C ZINC000895539628 1024598739 /nfs/dbraw/zinc/59/87/39/1024598739.db2.gz ZOBDTXPDXPVLBA-UHFFFAOYSA-N 1 2 337.803 3.797 20 0 EHADLO CCCCOC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000346281588 1024599287 /nfs/dbraw/zinc/59/92/87/1024599287.db2.gz PVPKBFSZEGNFRU-OAHLLOKOSA-N 1 2 335.496 3.520 20 0 EHADLO CCC[C@@H](C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)C ZINC000614671036 1024648357 /nfs/dbraw/zinc/64/83/57/1024648357.db2.gz CYGZRLUCAOVRKO-QGZVFWFLSA-N 1 2 337.533 3.680 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cs1 ZINC000548603283 1024651709 /nfs/dbraw/zinc/65/17/09/1024651709.db2.gz VCNKQMRKWSDWKO-JTQLQIEISA-N 1 2 347.465 3.780 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1OCC ZINC000514682567 1024654134 /nfs/dbraw/zinc/65/41/34/1024654134.db2.gz PMBBSAPAVQWKER-HUUCEWRRSA-N 1 2 345.443 3.509 20 0 EHADLO c1cn(-c2cccc(-c3noc(C4Cc5ccccc5C4)n3)c2)c[nH+]1 ZINC000346383898 1024672447 /nfs/dbraw/zinc/67/24/47/1024672447.db2.gz JBKUUJKDGHXBPT-UHFFFAOYSA-N 1 2 328.375 3.805 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000425305794 1024715865 /nfs/dbraw/zinc/71/58/65/1024715865.db2.gz BIFCXVSCKKZABK-KURKYZTESA-N 1 2 337.467 3.969 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000425311839 1024731186 /nfs/dbraw/zinc/73/11/86/1024731186.db2.gz GAFZJUKDCSLBDQ-HKUYNNGSSA-N 1 2 335.451 3.723 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](N3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000413564688 1033231684 /nfs/dbraw/zinc/23/16/84/1033231684.db2.gz FSZNMBOBRBGXAL-MRXNPFEDSA-N 1 2 344.503 3.705 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000346442484 1024737519 /nfs/dbraw/zinc/73/75/19/1024737519.db2.gz UPBPGXXSNDOFLL-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000346442484 1024737524 /nfs/dbraw/zinc/73/75/24/1024737524.db2.gz UPBPGXXSNDOFLL-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000425317747 1024742787 /nfs/dbraw/zinc/74/27/87/1024742787.db2.gz RZDVHXFYWDWYSQ-GGPKGHCWSA-N 1 2 335.451 3.579 20 0 EHADLO CCc1nc(N2CCC[C@@H]2c2cncc(Br)c2)cc(C)[nH+]1 ZINC000895710385 1024748134 /nfs/dbraw/zinc/74/81/34/1024748134.db2.gz UPGUXMYIZZCXHM-CQSZACIVSA-N 1 2 347.260 3.846 20 0 EHADLO CCn1c(C[NH2+][C@@H](COC)c2ccc(F)cc2)nc2c1cccc2F ZINC000342292702 1024751306 /nfs/dbraw/zinc/75/13/06/1024751306.db2.gz GCZDRXWDPGLWHO-INIZCTEOSA-N 1 2 345.393 3.812 20 0 EHADLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000425330588 1024766580 /nfs/dbraw/zinc/76/65/80/1024766580.db2.gz WMRMFBCIXRUTLU-UHFFFAOYSA-N 1 2 348.393 3.569 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1c[nH+]c(N(C)C)n1C ZINC000425326929 1024772774 /nfs/dbraw/zinc/77/27/74/1024772774.db2.gz OXJQVTFQWRFGHO-LLVKDONJSA-N 1 2 341.286 3.986 20 0 EHADLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)s1 ZINC000346501383 1024814617 /nfs/dbraw/zinc/81/46/17/1024814617.db2.gz ZELILKOPHBTICB-OAHLLOKOSA-N 1 2 340.395 3.626 20 0 EHADLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)s1 ZINC000346501383 1024814637 /nfs/dbraw/zinc/81/46/37/1024814637.db2.gz ZELILKOPHBTICB-OAHLLOKOSA-N 1 2 340.395 3.626 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)ccc2[nH+]1 ZINC000346540452 1024845617 /nfs/dbraw/zinc/84/56/17/1024845617.db2.gz GLMUVLLHKLPYCN-GOSISDBHSA-N 1 2 334.423 3.882 20 0 EHADLO CC(C)(COCc1ccccc1)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000281258928 1024854625 /nfs/dbraw/zinc/85/46/25/1024854625.db2.gz FDGAQEJAEJAPJA-UHFFFAOYSA-N 1 2 343.452 3.883 20 0 EHADLO COCC[N@H+](Cc1cncn1C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000425369565 1024856713 /nfs/dbraw/zinc/85/67/13/1024856713.db2.gz MKCAOJVQBKMJMR-UHFFFAOYSA-N 1 2 339.842 3.905 20 0 EHADLO COCC[N@@H+](Cc1cncn1C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000425369565 1024856726 /nfs/dbraw/zinc/85/67/26/1024856726.db2.gz MKCAOJVQBKMJMR-UHFFFAOYSA-N 1 2 339.842 3.905 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c[nH+]1 ZINC000895806376 1024858159 /nfs/dbraw/zinc/85/81/59/1024858159.db2.gz YHXQMLUFEKBDPJ-UHFFFAOYSA-N 1 2 338.411 3.837 20 0 EHADLO CSc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000104970878 1024864313 /nfs/dbraw/zinc/86/43/13/1024864313.db2.gz REBMNSMJJDJTFB-UHFFFAOYSA-N 1 2 330.457 3.817 20 0 EHADLO CC[N@H+](CCc1ccccc1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000173310241 1033243369 /nfs/dbraw/zinc/24/33/69/1033243369.db2.gz AUKYWUIJLLQDRI-UHFFFAOYSA-N 1 2 341.480 3.597 20 0 EHADLO CC[N@@H+](CCc1ccccc1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000173310241 1033243381 /nfs/dbraw/zinc/24/33/81/1033243381.db2.gz AUKYWUIJLLQDRI-UHFFFAOYSA-N 1 2 341.480 3.597 20 0 EHADLO CCc1c(C(=O)C[N@H+](CC)CCc2cccs2)[nH]c(C)c1C(C)=O ZINC000435419707 1024906304 /nfs/dbraw/zinc/90/63/04/1024906304.db2.gz YRSXDAXHFKGMPF-UHFFFAOYSA-N 1 2 346.496 3.897 20 0 EHADLO CCc1c(C(=O)C[N@@H+](CC)CCc2cccs2)[nH]c(C)c1C(C)=O ZINC000435419707 1024906313 /nfs/dbraw/zinc/90/63/13/1024906313.db2.gz YRSXDAXHFKGMPF-UHFFFAOYSA-N 1 2 346.496 3.897 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894307573 1024920159 /nfs/dbraw/zinc/92/01/59/1024920159.db2.gz DMHVWPQHVFYHRE-MRXNPFEDSA-N 1 2 344.459 3.583 20 0 EHADLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccccc1 ZINC000342334980 1024933110 /nfs/dbraw/zinc/93/31/10/1024933110.db2.gz MCGUBVKRKBNRCM-QGZVFWFLSA-N 1 2 349.434 3.722 20 0 EHADLO O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428008820 1024936995 /nfs/dbraw/zinc/93/69/95/1024936995.db2.gz RCMHFNQVPCIMID-KVZIAJEVSA-N 1 2 337.467 3.678 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000326821853 1024956866 /nfs/dbraw/zinc/95/68/66/1024956866.db2.gz XYDCUANPNIFNPI-GOSISDBHSA-N 1 2 336.439 3.972 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cc(N(C)c3ccccc3)ncn1)CCC2 ZINC000514989119 1024960498 /nfs/dbraw/zinc/96/04/98/1024960498.db2.gz BXOYLZUPSCADIF-INIZCTEOSA-N 1 2 348.454 3.739 20 0 EHADLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000157637672 1024975183 /nfs/dbraw/zinc/97/51/83/1024975183.db2.gz VJEQXRTWYWUBTA-CYBMUJFWSA-N 1 2 349.862 3.760 20 0 EHADLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000157637672 1024975193 /nfs/dbraw/zinc/97/51/93/1024975193.db2.gz VJEQXRTWYWUBTA-CYBMUJFWSA-N 1 2 349.862 3.760 20 0 EHADLO Clc1cccc([C@@H]2C[C@H]2Nc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000435575636 1025009806 /nfs/dbraw/zinc/00/98/06/1025009806.db2.gz RLQOKAOJYHKYTG-LSDHHAIUSA-N 1 2 346.887 3.651 20 0 EHADLO Clc1cccc([C@@H]2C[C@H]2Nc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000435575636 1025009822 /nfs/dbraw/zinc/00/98/22/1025009822.db2.gz RLQOKAOJYHKYTG-LSDHHAIUSA-N 1 2 346.887 3.651 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548646850 1025013738 /nfs/dbraw/zinc/01/37/38/1025013738.db2.gz FQAFBFVSFOUSMM-KRWDZBQOSA-N 1 2 326.444 3.608 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000515096871 1025017366 /nfs/dbraw/zinc/01/73/66/1025017366.db2.gz WZSLXZINNXQXNM-GOEBONIOSA-N 1 2 338.386 3.931 20 0 EHADLO Cc1cc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)nc(C2CC2)[nH+]1 ZINC000435603982 1025029123 /nfs/dbraw/zinc/02/91/23/1025029123.db2.gz MXTKJANPOKBZDS-KGLIPLIRSA-N 1 2 331.366 3.654 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000277418516 1025030832 /nfs/dbraw/zinc/03/08/32/1025030832.db2.gz MKTRRBQPEMAMBQ-STQMWFEESA-N 1 2 332.448 3.576 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)ccc(C)c2F)c1C ZINC000346734329 1025067038 /nfs/dbraw/zinc/06/70/38/1025067038.db2.gz WYTVIZXEXLNSDB-UHFFFAOYSA-N 1 2 334.366 3.566 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520836464 1025077418 /nfs/dbraw/zinc/07/74/18/1025077418.db2.gz PBRVOJXSTNMRMP-VIFPVBQESA-N 1 2 343.374 3.723 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520836464 1025077439 /nfs/dbraw/zinc/07/74/39/1025077439.db2.gz PBRVOJXSTNMRMP-VIFPVBQESA-N 1 2 343.374 3.723 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1nc2c(s1)CCCC2 ZINC000896040314 1025104713 /nfs/dbraw/zinc/10/47/13/1025104713.db2.gz VZOAJUYEUWIWNG-UHFFFAOYSA-N 1 2 342.472 3.529 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+]C(C)(C)c3cnn(C)c3)n2)cc1F ZINC000546000752 1025105496 /nfs/dbraw/zinc/10/54/96/1025105496.db2.gz JGHJKOTWFOAYKZ-GFCCVEGCSA-N 1 2 343.406 3.504 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000120089468 1033259497 /nfs/dbraw/zinc/25/94/97/1033259497.db2.gz XYNOIVDAYDODCV-PXNSSMCTSA-N 1 2 339.483 3.641 20 0 EHADLO CCOC(=O)C[N@H+](CCCOc1ccc2ccccc2c1)C1CC1 ZINC000520929783 1025129990 /nfs/dbraw/zinc/12/99/90/1025129990.db2.gz JCJCMQAOFQLVFQ-UHFFFAOYSA-N 1 2 327.424 3.636 20 0 EHADLO CCOC(=O)C[N@@H+](CCCOc1ccc2ccccc2c1)C1CC1 ZINC000520929783 1025129999 /nfs/dbraw/zinc/12/99/99/1025129999.db2.gz JCJCMQAOFQLVFQ-UHFFFAOYSA-N 1 2 327.424 3.636 20 0 EHADLO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661168 1025139947 /nfs/dbraw/zinc/13/99/47/1025139947.db2.gz DOQVVCAMICXFTK-APWZRJJASA-N 1 2 340.471 3.545 20 0 EHADLO CCc1cc(OCc2nncn2-c2ccccc2)c2ccccc2[nH+]1 ZINC000435784714 1025149069 /nfs/dbraw/zinc/14/90/69/1025149069.db2.gz HQFMWYGQFJDRSC-UHFFFAOYSA-N 1 2 330.391 3.957 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000428242436 1025151957 /nfs/dbraw/zinc/15/19/57/1025151957.db2.gz VXXRTQSNFHJXDL-UHFFFAOYSA-N 1 2 336.439 3.850 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000428242436 1025151966 /nfs/dbraw/zinc/15/19/66/1025151966.db2.gz VXXRTQSNFHJXDL-UHFFFAOYSA-N 1 2 336.439 3.850 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000435801523 1025157407 /nfs/dbraw/zinc/15/74/07/1025157407.db2.gz UWPGPGKDDPCEFA-IBGZPJMESA-N 1 2 340.471 3.509 20 0 EHADLO COc1cnc([C@@H]2CCC[N@@H+]2Cc2cccc(C(C)(C)C)c2)[nH]c1=O ZINC000934269517 1025186433 /nfs/dbraw/zinc/18/64/33/1025186433.db2.gz HXGVOAROTSPHRF-INIZCTEOSA-N 1 2 341.455 3.825 20 0 EHADLO COc1cnc([C@@H]2CCC[N@H+]2Cc2cccc(C(C)(C)C)c2)[nH]c1=O ZINC000934269517 1025186443 /nfs/dbraw/zinc/18/64/43/1025186443.db2.gz HXGVOAROTSPHRF-INIZCTEOSA-N 1 2 341.455 3.825 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522735720 1025186740 /nfs/dbraw/zinc/18/67/40/1025186740.db2.gz YGTCNZVXHYIBKF-PMACEKPBSA-N 1 2 331.419 3.938 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000896151038 1025187189 /nfs/dbraw/zinc/18/71/89/1025187189.db2.gz AMXPHUHDQDZYGZ-LLVKDONJSA-N 1 2 346.843 3.624 20 0 EHADLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000602923589 1033267911 /nfs/dbraw/zinc/26/79/11/1033267911.db2.gz SDQRQBAGCBLXJJ-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2F)C(C)C)cc1F ZINC000521196614 1025269019 /nfs/dbraw/zinc/26/90/19/1025269019.db2.gz PLCTWZYXUGVUOH-UHFFFAOYSA-N 1 2 346.421 3.800 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)cc1F ZINC000521196614 1025269026 /nfs/dbraw/zinc/26/90/26/1025269026.db2.gz PLCTWZYXUGVUOH-UHFFFAOYSA-N 1 2 346.421 3.800 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000521198933 1025272513 /nfs/dbraw/zinc/27/25/13/1025272513.db2.gz ZMRQXAFBTCLAGK-MRXNPFEDSA-N 1 2 328.456 3.755 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000521198933 1025272521 /nfs/dbraw/zinc/27/25/21/1025272521.db2.gz ZMRQXAFBTCLAGK-MRXNPFEDSA-N 1 2 328.456 3.755 20 0 EHADLO Cc1c2ccc(F)cc2sc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000346940515 1025316400 /nfs/dbraw/zinc/31/64/00/1025316400.db2.gz JPLQNWHOGSATIG-UHFFFAOYSA-N 1 2 328.372 3.723 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436051013 1025331303 /nfs/dbraw/zinc/33/13/03/1025331303.db2.gz JTGOAKFHZJNFEM-WBVHZDCISA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436051013 1025331314 /nfs/dbraw/zinc/33/13/14/1025331314.db2.gz JTGOAKFHZJNFEM-WBVHZDCISA-N 1 2 349.837 3.681 20 0 EHADLO CCCN(C(=O)NCCn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000054541921 1025331867 /nfs/dbraw/zinc/33/18/67/1025331867.db2.gz DASSZGPRMRMZPW-HNNXBMFYSA-N 1 2 340.427 3.812 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342420713 1025339754 /nfs/dbraw/zinc/33/97/54/1025339754.db2.gz CARGSEOGXXGMRJ-INIZCTEOSA-N 1 2 331.419 3.518 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2[nH+]1 ZINC000346950384 1025344793 /nfs/dbraw/zinc/34/47/93/1025344793.db2.gz BERBTEHIOIKJCZ-UHFFFAOYSA-N 1 2 345.362 3.706 20 0 EHADLO CCc1ocnc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000515552090 1025346084 /nfs/dbraw/zinc/34/60/84/1025346084.db2.gz UCSMKUHKWKQTKV-UHFFFAOYSA-N 1 2 336.395 3.689 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC4(CCC4)[C@@H]3c3ccco3)[nH+]c12 ZINC000574533790 1033277133 /nfs/dbraw/zinc/27/71/33/1033277133.db2.gz YIYOFQFSPWLWEW-SFHVURJKSA-N 1 2 335.407 3.532 20 0 EHADLO c1cn(-c2ccnc(-c3nc(C4(c5ccccc5)CCC4)no3)c2)c[nH+]1 ZINC000346974314 1025372429 /nfs/dbraw/zinc/37/24/29/1025372429.db2.gz KDUDULCYMOGYDO-UHFFFAOYSA-N 1 2 343.390 3.787 20 0 EHADLO CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000548686943 1025376408 /nfs/dbraw/zinc/37/64/08/1025376408.db2.gz UBYWFZNOMBUGFP-SJORKVTESA-N 1 2 334.508 3.958 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993650 1025396280 /nfs/dbraw/zinc/39/62/80/1025396280.db2.gz WGUZAUHPMAKLKB-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993650 1025396296 /nfs/dbraw/zinc/39/62/96/1025396296.db2.gz WGUZAUHPMAKLKB-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO C[C@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000607746628 1033277036 /nfs/dbraw/zinc/27/70/36/1033277036.db2.gz CQPKIDHZGXRKBY-LIRRHRJNSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000607746628 1033277044 /nfs/dbraw/zinc/27/70/44/1033277044.db2.gz CQPKIDHZGXRKBY-LIRRHRJNSA-N 1 2 333.378 3.806 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCSC1 ZINC000436158891 1025425206 /nfs/dbraw/zinc/42/52/06/1025425206.db2.gz DNSRARQVNJGFCL-CQSZACIVSA-N 1 2 327.453 3.578 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2c(s1)CCCCC2 ZINC000347027141 1025433024 /nfs/dbraw/zinc/43/30/24/1025433024.db2.gz UQIHAWZDBCAFFS-UHFFFAOYSA-N 1 2 343.496 3.822 20 0 EHADLO CCCc1nc(C)c(C[N@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)o1 ZINC000428257948 1025447562 /nfs/dbraw/zinc/44/75/62/1025447562.db2.gz UZHWGGYWZNDCPM-QGZVFWFLSA-N 1 2 341.455 3.563 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)o1 ZINC000428257948 1025447569 /nfs/dbraw/zinc/44/75/69/1025447569.db2.gz UZHWGGYWZNDCPM-QGZVFWFLSA-N 1 2 341.455 3.563 20 0 EHADLO O=C(CCOCC1CC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436178510 1025448008 /nfs/dbraw/zinc/44/80/08/1025448008.db2.gz STARJQKVEJPSMH-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)[C@H]1C ZINC000522470867 1025450581 /nfs/dbraw/zinc/45/05/81/1025450581.db2.gz RNFLDUSSFVBERY-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)[C@H]1C ZINC000522470867 1025450586 /nfs/dbraw/zinc/45/05/86/1025450586.db2.gz RNFLDUSSFVBERY-NEPXVJNWSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000529042269 1033283836 /nfs/dbraw/zinc/28/38/36/1033283836.db2.gz QNUWPQWVIOWOHN-XOKHGSTOSA-N 1 2 346.521 3.819 20 0 EHADLO CC(C)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CCCCC1 ZINC000574509015 1033284176 /nfs/dbraw/zinc/28/41/76/1033284176.db2.gz VQCKYKXMNCUMNY-GOSISDBHSA-N 1 2 343.471 3.771 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccsc2)no1 ZINC000347102792 1025528855 /nfs/dbraw/zinc/52/88/55/1025528855.db2.gz IJQMKVQKVSRGHT-UHFFFAOYSA-N 1 2 332.335 3.783 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665453797 1025545562 /nfs/dbraw/zinc/54/55/62/1025545562.db2.gz UCMNWKXQUKNREO-SJORKVTESA-N 1 2 330.476 3.733 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442882664 1025562380 /nfs/dbraw/zinc/56/23/80/1025562380.db2.gz FFJVOKXGHVIABG-ZDUSSCGKSA-N 1 2 338.879 3.865 20 0 EHADLO C/C=C/C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404640 1025575660 /nfs/dbraw/zinc/57/56/60/1025575660.db2.gz DQJGFCIIYUEUHO-YATRRXNKSA-N 1 2 342.487 3.570 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141597 1025576127 /nfs/dbraw/zinc/57/61/27/1025576127.db2.gz FCXRVOXOPBQCBS-USZNOCQGSA-N 1 2 335.370 3.718 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141597 1025576140 /nfs/dbraw/zinc/57/61/40/1025576140.db2.gz FCXRVOXOPBQCBS-USZNOCQGSA-N 1 2 335.370 3.718 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OC ZINC000281835508 1025581554 /nfs/dbraw/zinc/58/15/54/1025581554.db2.gz AHAGYJRAOAEDPV-UHFFFAOYSA-N 1 2 346.475 3.510 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000574584422 1033293049 /nfs/dbraw/zinc/29/30/49/1033293049.db2.gz YYNONWPDSONOPP-CQSZACIVSA-N 1 2 345.874 3.822 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000574584422 1033293064 /nfs/dbraw/zinc/29/30/64/1033293064.db2.gz YYNONWPDSONOPP-CQSZACIVSA-N 1 2 345.874 3.822 20 0 EHADLO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+]2CCCCC(=O)OCC ZINC001280156829 1025602426 /nfs/dbraw/zinc/60/24/26/1025602426.db2.gz PZWPREWZGWCCCH-QRVBRYPASA-N 1 2 338.536 3.695 20 0 EHADLO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCCC(=O)OCC ZINC001280156829 1025602437 /nfs/dbraw/zinc/60/24/37/1025602437.db2.gz PZWPREWZGWCCCH-QRVBRYPASA-N 1 2 338.536 3.695 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccccc2OCC2CC2)cc1C(F)(F)F ZINC000898022723 1033294318 /nfs/dbraw/zinc/29/43/18/1033294318.db2.gz JTLPNXOMFNHTNX-UHFFFAOYSA-N 1 2 339.361 3.518 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2s1)[NH+]1CCSCC1 ZINC000179169549 1025620729 /nfs/dbraw/zinc/62/07/29/1025620729.db2.gz ZONPFTACVSQZRG-QWHCGFSZSA-N 1 2 334.510 3.516 20 0 EHADLO C[C@H](C(=O)Nc1ccc2nc(C3CC3)sc2c1)[NH+]1CCSCC1 ZINC000179163548 1025620884 /nfs/dbraw/zinc/62/08/84/1025620884.db2.gz AFTADBHNGSPTLX-LLVKDONJSA-N 1 2 347.509 3.550 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000442959461 1025622333 /nfs/dbraw/zinc/62/23/33/1025622333.db2.gz ABCOTTDMGHMIGA-QFBILLFUSA-N 1 2 337.467 3.666 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000179250105 1025654382 /nfs/dbraw/zinc/65/43/82/1025654382.db2.gz DHJNKAKMFPQAMM-GOSISDBHSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000436401239 1025683058 /nfs/dbraw/zinc/68/30/58/1025683058.db2.gz OGVAXJHATIGVAP-UHFFFAOYSA-N 1 2 332.407 3.618 20 0 EHADLO Cn1cnnc1C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000152348370 1025692166 /nfs/dbraw/zinc/69/21/66/1025692166.db2.gz VGSIIWLKJVKNJS-QGZVFWFLSA-N 1 2 344.821 3.681 20 0 EHADLO CC(C)[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccccc1F ZINC000521821286 1025710768 /nfs/dbraw/zinc/71/07/68/1025710768.db2.gz BQTNQJTWBIMDSC-AWEZNQCLSA-N 1 2 334.460 3.975 20 0 EHADLO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccccc1F ZINC000521821286 1025710784 /nfs/dbraw/zinc/71/07/84/1025710784.db2.gz BQTNQJTWBIMDSC-AWEZNQCLSA-N 1 2 334.460 3.975 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(F)c1 ZINC000347242993 1025718331 /nfs/dbraw/zinc/71/83/31/1025718331.db2.gz YGBUMFLVPFZTIR-KSSFIOAISA-N 1 2 327.403 3.551 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(F)c1 ZINC000347242993 1025718350 /nfs/dbraw/zinc/71/83/50/1025718350.db2.gz YGBUMFLVPFZTIR-KSSFIOAISA-N 1 2 327.403 3.551 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000081316638 1025729760 /nfs/dbraw/zinc/72/97/60/1025729760.db2.gz RQJBGLIBGHVYRD-CYBMUJFWSA-N 1 2 345.855 3.849 20 0 EHADLO Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)c3ncnn3C)cs2)cs1 ZINC000530385934 1025733592 /nfs/dbraw/zinc/73/35/92/1025733592.db2.gz CPYUVBXVNMZLNR-VHSXEESVSA-N 1 2 333.486 3.720 20 0 EHADLO CC(C)c1cccc2c1CCN(C(=O)NCCCCn1cc[nH+]c1)C2 ZINC000530388340 1025737276 /nfs/dbraw/zinc/73/72/76/1025737276.db2.gz SUDHUHWFYZEAMZ-UHFFFAOYSA-N 1 2 340.471 3.555 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000277534096 1025742399 /nfs/dbraw/zinc/74/23/99/1025742399.db2.gz YPPLSHRDPWLFFZ-KBPBESRZSA-N 1 2 346.475 3.965 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469764779 1025756610 /nfs/dbraw/zinc/75/66/10/1025756610.db2.gz PUTOMGMEOQSOTM-XWTMOSNGSA-N 1 2 332.492 3.835 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469764778 1025756880 /nfs/dbraw/zinc/75/68/80/1025756880.db2.gz PUTOMGMEOQSOTM-MHORFTMASA-N 1 2 332.492 3.835 20 0 EHADLO FC(F)(F)c1ccccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121792735 1025775777 /nfs/dbraw/zinc/77/57/77/1025775777.db2.gz FZWDYYPVRYRIGX-UHFFFAOYSA-N 1 2 337.345 3.549 20 0 EHADLO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474892920 1025776219 /nfs/dbraw/zinc/77/62/19/1025776219.db2.gz BDDWJUWZBPYPLL-MELADBBJSA-N 1 2 337.460 3.516 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000443169875 1025780749 /nfs/dbraw/zinc/78/07/49/1025780749.db2.gz JYMWVJWBZYROAD-NVXWUHKLSA-N 1 2 326.444 3.640 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc(C(C)=O)c(C(F)(F)F)c1)C2 ZINC000896653022 1025807508 /nfs/dbraw/zinc/80/75/08/1025807508.db2.gz HANBFBVXDNJBPZ-UHFFFAOYSA-N 1 2 337.345 3.687 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(OC2CCCCC2)cc1 ZINC000474930239 1025879216 /nfs/dbraw/zinc/87/92/16/1025879216.db2.gz WZTGAXYTMOCQPF-UHFFFAOYSA-N 1 2 349.434 3.976 20 0 EHADLO CC(C)(C)CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000582337869 1025891505 /nfs/dbraw/zinc/89/15/05/1025891505.db2.gz QUWWDQKSKQEYTJ-UHFFFAOYSA-N 1 2 346.519 3.935 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312177 1025897101 /nfs/dbraw/zinc/89/71/01/1025897101.db2.gz NMPTZKJIFBNLDD-CQSZACIVSA-N 1 2 334.435 3.576 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312177 1025897122 /nfs/dbraw/zinc/89/71/22/1025897122.db2.gz NMPTZKJIFBNLDD-CQSZACIVSA-N 1 2 334.435 3.576 20 0 EHADLO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(C3CCCC3)c2)c2ccccc21 ZINC000657396276 1025910429 /nfs/dbraw/zinc/91/04/29/1025910429.db2.gz IWIOJNOJZMGCMT-LJQANCHMSA-N 1 2 341.476 3.962 20 0 EHADLO Cc1cc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)nc(C2CC2)[nH+]1 ZINC000329486364 1025911364 /nfs/dbraw/zinc/91/13/64/1025911364.db2.gz GHRXZXOUQSYDJN-QGZVFWFLSA-N 1 2 337.471 3.885 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443333148 1025922031 /nfs/dbraw/zinc/92/20/31/1025922031.db2.gz JCPMUWREXVJVAX-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443333148 1025922049 /nfs/dbraw/zinc/92/20/49/1025922049.db2.gz JCPMUWREXVJVAX-UHFFFAOYSA-N 1 2 330.472 3.666 20 0 EHADLO Clc1cccc([C@@H](NCc2c[nH+]c3n2CCC3)c2ccccn2)c1 ZINC000657398418 1025939002 /nfs/dbraw/zinc/93/90/02/1025939002.db2.gz KYJBVZHEZPNWAZ-LJQANCHMSA-N 1 2 338.842 3.757 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)NCCCNc1cccc[nH+]1 ZINC000444238886 1025952603 /nfs/dbraw/zinc/95/26/03/1025952603.db2.gz BGRCXHFOFIJHTI-MRXNPFEDSA-N 1 2 349.434 3.621 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)s1 ZINC000530519184 1025976780 /nfs/dbraw/zinc/97/67/80/1025976780.db2.gz WSUBYKABVJPBSA-BLLLJJGKSA-N 1 2 339.468 3.760 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000342511675 1025978806 /nfs/dbraw/zinc/97/88/06/1025978806.db2.gz GFGZHPGHNAWVGB-QGZVFWFLSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000342511675 1025978816 /nfs/dbraw/zinc/97/88/16/1025978816.db2.gz GFGZHPGHNAWVGB-QGZVFWFLSA-N 1 2 338.411 3.723 20 0 EHADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Br)c(Cl)c1 ZINC000191185649 1025985719 /nfs/dbraw/zinc/98/57/19/1025985719.db2.gz WTTXUEPNYBFYMM-NXEZZACHSA-N 1 2 332.669 3.836 20 0 EHADLO Cc1ncncc1[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000516089203 1025987721 /nfs/dbraw/zinc/98/77/21/1025987721.db2.gz VRTNQTLYZZEQPS-MRVPVSSYSA-N 1 2 342.187 3.677 20 0 EHADLO FC[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCCO1 ZINC000413474290 1026023844 /nfs/dbraw/zinc/02/38/44/1026023844.db2.gz BAWNSDOECCYRMZ-CYBMUJFWSA-N 1 2 339.208 3.562 20 0 EHADLO C/C(=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000896921184 1026040031 /nfs/dbraw/zinc/04/00/31/1026040031.db2.gz IJKVUBKRHUWSBK-CSKARUKUSA-N 1 2 337.345 3.765 20 0 EHADLO ClC1(Cl)C[C@H]1c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000896801652 1026042615 /nfs/dbraw/zinc/04/26/15/1026042615.db2.gz PYOIPEHWUNKSNG-LBPRGKRZSA-N 1 2 335.194 3.643 20 0 EHADLO CC(C)[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000103073070 1026045792 /nfs/dbraw/zinc/04/57/92/1026045792.db2.gz QTWGPTGIXZUNCP-HNNXBMFYSA-N 1 2 343.496 3.899 20 0 EHADLO CC(C)[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000103073070 1026045809 /nfs/dbraw/zinc/04/58/09/1026045809.db2.gz QTWGPTGIXZUNCP-HNNXBMFYSA-N 1 2 343.496 3.899 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(CC3CCC3)C(C)C)cn2c1 ZINC000444316204 1026088483 /nfs/dbraw/zinc/08/84/83/1026088483.db2.gz IQLGVIKRCVXZAA-UHFFFAOYSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+]2CCn3c(cnc3C(F)(F)F)C2)cn1 ZINC000896932016 1026107714 /nfs/dbraw/zinc/10/77/14/1026107714.db2.gz ROYDLGZDIPTEGE-UHFFFAOYSA-N 1 2 338.377 3.511 20 0 EHADLO CC(C)Cc1ccc(C[N@H+]2CCn3c(cnc3C(F)(F)F)C2)cn1 ZINC000896932016 1026107723 /nfs/dbraw/zinc/10/77/23/1026107723.db2.gz ROYDLGZDIPTEGE-UHFFFAOYSA-N 1 2 338.377 3.511 20 0 EHADLO CSc1ccccc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000511113794 1026129671 /nfs/dbraw/zinc/12/96/71/1026129671.db2.gz FCMGPMATDVJLTD-UHFFFAOYSA-N 1 2 332.513 3.633 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCn4c[nH+]cc4C3)cc2C1 ZINC000516222418 1026134068 /nfs/dbraw/zinc/13/40/68/1026134068.db2.gz MFCOCKRAJIVGDH-CQSZACIVSA-N 1 2 343.496 3.752 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ncc2F)nc1C ZINC000840783932 1026222514 /nfs/dbraw/zinc/22/25/14/1026222514.db2.gz NCYSCWFYUUETJS-NSHDSACASA-N 1 2 338.224 3.846 20 0 EHADLO O=C([C@H]1CCCCC1(F)F)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000451692084 1026230957 /nfs/dbraw/zinc/23/09/57/1026230957.db2.gz SFKVCIJUDQOEJN-HUUCEWRRSA-N 1 2 342.817 3.638 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724082 1026250905 /nfs/dbraw/zinc/25/09/05/1026250905.db2.gz IPZRCFUMKSHFTF-NVXWUHKLSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724082 1026250919 /nfs/dbraw/zinc/25/09/19/1026250919.db2.gz IPZRCFUMKSHFTF-NVXWUHKLSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000897063648 1026291388 /nfs/dbraw/zinc/29/13/88/1026291388.db2.gz FIKIJZVOMWQZIR-UHFFFAOYSA-N 1 2 332.791 3.616 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843510 1026340151 /nfs/dbraw/zinc/34/01/51/1026340151.db2.gz GHNZEYZEAHJAQU-LIRRHRJNSA-N 1 2 328.456 3.596 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843510 1026340159 /nfs/dbraw/zinc/34/01/59/1026340159.db2.gz GHNZEYZEAHJAQU-LIRRHRJNSA-N 1 2 328.456 3.596 20 0 EHADLO CSc1ccccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030584841 1026341344 /nfs/dbraw/zinc/34/13/44/1026341344.db2.gz NDZUIVUYLPWECT-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)c1C ZINC000451962438 1026398659 /nfs/dbraw/zinc/39/86/59/1026398659.db2.gz FUTBDGZPBQWYQR-LIRRHRJNSA-N 1 2 348.512 3.624 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)c1C ZINC000451962438 1026398667 /nfs/dbraw/zinc/39/86/67/1026398667.db2.gz FUTBDGZPBQWYQR-LIRRHRJNSA-N 1 2 348.512 3.624 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)c(Cl)c1 ZINC000451961669 1026400602 /nfs/dbraw/zinc/40/06/02/1026400602.db2.gz DXRHTICQBFSUTH-KRWDZBQOSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CCSC3)C2)c(Cl)c1 ZINC000451961669 1026400609 /nfs/dbraw/zinc/40/06/09/1026400609.db2.gz DXRHTICQBFSUTH-KRWDZBQOSA-N 1 2 338.904 3.806 20 0 EHADLO CCOc1ccc(OCC)c(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000582495865 1026423246 /nfs/dbraw/zinc/42/32/46/1026423246.db2.gz TWQBGTROKWYILB-UHFFFAOYSA-N 1 2 339.395 3.692 20 0 EHADLO CCC[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000104834815 1026423523 /nfs/dbraw/zinc/42/35/23/1026423523.db2.gz BSRNVWRDIFDMIF-IBGZPJMESA-N 1 2 342.508 3.976 20 0 EHADLO Cc1cc(N2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000475273858 1026425921 /nfs/dbraw/zinc/42/59/21/1026425921.db2.gz GLBKQKOWLBNOEX-OAHLLOKOSA-N 1 2 346.519 3.629 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451971661 1026428423 /nfs/dbraw/zinc/42/84/23/1026428423.db2.gz NHEJVFLUUHWKNJ-QGZVFWFLSA-N 1 2 345.455 3.707 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451971661 1026428430 /nfs/dbraw/zinc/42/84/30/1026428430.db2.gz NHEJVFLUUHWKNJ-QGZVFWFLSA-N 1 2 345.455 3.707 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530962224 1026436677 /nfs/dbraw/zinc/43/66/77/1026436677.db2.gz NBLOPWLKSRDATA-IBGZPJMESA-N 1 2 337.467 3.982 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530962224 1026436687 /nfs/dbraw/zinc/43/66/87/1026436687.db2.gz NBLOPWLKSRDATA-IBGZPJMESA-N 1 2 337.467 3.982 20 0 EHADLO OCC[N@H+](Cc1sc2ccccc2c1Cl)Cc1cccnc1 ZINC000304913917 1026454177 /nfs/dbraw/zinc/45/41/77/1026454177.db2.gz SYZVYNDGBSVHOD-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO OCC[N@@H+](Cc1sc2ccccc2c1Cl)Cc1cccnc1 ZINC000304913917 1026454181 /nfs/dbraw/zinc/45/41/81/1026454181.db2.gz SYZVYNDGBSVHOD-UHFFFAOYSA-N 1 2 332.856 3.944 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C2CC2)cn1 ZINC000531032124 1026486403 /nfs/dbraw/zinc/48/64/03/1026486403.db2.gz UUSNDGAKDCWRFU-UHFFFAOYSA-N 1 2 342.468 3.654 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC1CC(C)(C)C1 ZINC000560084373 1026492770 /nfs/dbraw/zinc/49/27/70/1026492770.db2.gz SLGSUXMDXZUZPG-UHFFFAOYSA-N 1 2 343.515 3.973 20 0 EHADLO COc1cc(F)c(NCc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000783567372 1026510202 /nfs/dbraw/zinc/51/02/02/1026510202.db2.gz NTACFZQTLNKELX-UHFFFAOYSA-N 1 2 329.350 3.830 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccoc1 ZINC000342629517 1026511286 /nfs/dbraw/zinc/51/12/86/1026511286.db2.gz HLIWMVPRJXZOFH-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccoc1 ZINC000342629517 1026511291 /nfs/dbraw/zinc/51/12/91/1026511291.db2.gz HLIWMVPRJXZOFH-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000475364190 1026517380 /nfs/dbraw/zinc/51/73/80/1026517380.db2.gz MVPOKWWLLBZDOU-HZMBPMFUSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000475364190 1026517385 /nfs/dbraw/zinc/51/73/85/1026517385.db2.gz MVPOKWWLLBZDOU-HZMBPMFUSA-N 1 2 349.780 3.990 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000475373869 1026541808 /nfs/dbraw/zinc/54/18/08/1026541808.db2.gz YNXKUNNIGCVARF-MRXNPFEDSA-N 1 2 328.460 3.692 20 0 EHADLO Cc1cccc(F)c1C[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000783571471 1026554022 /nfs/dbraw/zinc/55/40/22/1026554022.db2.gz BMURKJMQUNDMCF-UHFFFAOYSA-N 1 2 335.732 3.830 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531111639 1026584528 /nfs/dbraw/zinc/58/45/28/1026584528.db2.gz RBZJMEOUMFMVNP-INIZCTEOSA-N 1 2 347.418 3.619 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(OC)c1F)c1ccc(F)c(F)c1 ZINC000192707246 1026585681 /nfs/dbraw/zinc/58/56/81/1026585681.db2.gz DKQPODWBHVANTG-HNNXBMFYSA-N 1 2 325.330 3.590 20 0 EHADLO CC[C@H]1CCc2ccccc2N1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000531135674 1026603725 /nfs/dbraw/zinc/60/37/25/1026603725.db2.gz ZBXALRYAMBFPDG-SFHVURJKSA-N 1 2 333.435 3.943 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(OC)c1 ZINC000168017068 1026649284 /nfs/dbraw/zinc/64/92/84/1026649284.db2.gz WZGXOJDVEYTNLQ-CJNGLKHVSA-N 1 2 344.459 3.604 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccnn1C ZINC000192960904 1026655155 /nfs/dbraw/zinc/65/51/55/1026655155.db2.gz MITTZIXUGKWQSO-ACJLOTCBSA-N 1 2 326.831 3.909 20 0 EHADLO CC(C)(NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccs1 ZINC000342669526 1026659447 /nfs/dbraw/zinc/65/94/47/1026659447.db2.gz UDYBKYUTMOTZPI-UHFFFAOYSA-N 1 2 340.452 3.668 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(F)c1Cl ZINC000277714183 1026661094 /nfs/dbraw/zinc/66/10/94/1026661094.db2.gz YVBVAWZPJLJPFO-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO O=C(NCC[C@@H]1CCc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452310662 1026669087 /nfs/dbraw/zinc/66/90/87/1026669087.db2.gz FNQADJOJFOMAAX-IBGZPJMESA-N 1 2 345.446 3.781 20 0 EHADLO CCCNC(=O)c1cccc(CNc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000301112985 1026690018 /nfs/dbraw/zinc/69/00/18/1026690018.db2.gz SOCWTJULFWGJAG-UHFFFAOYSA-N 1 2 326.444 3.660 20 0 EHADLO c1cn(-c2ccc(CNc3ncnc4sc5c(c43)CCC5)cc2)c[nH+]1 ZINC000301131414 1026696548 /nfs/dbraw/zinc/69/65/48/1026696548.db2.gz VEQMQPHCUZQEAU-UHFFFAOYSA-N 1 2 347.447 3.978 20 0 EHADLO CCc1cc(Nc2ccc(N3CCCC3)[nH+]c2)nc(-c2ccccn2)n1 ZINC000301178368 1026712755 /nfs/dbraw/zinc/71/27/55/1026712755.db2.gz NHNYOVGLVQHNSH-UHFFFAOYSA-N 1 2 346.438 3.840 20 0 EHADLO Cc1cc(CNc2cccc(-c3nncn3C)c2)c2c([nH+]1)CCCC2 ZINC000892270150 1026719833 /nfs/dbraw/zinc/71/98/33/1026719833.db2.gz GDQGPGXCEYRRKN-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)Oc1ccccc1 ZINC000301244469 1026735088 /nfs/dbraw/zinc/73/50/88/1026735088.db2.gz AWVNSBJIUJSAPP-HNNXBMFYSA-N 1 2 345.406 3.695 20 0 EHADLO Cc1cc(CN(C)c2cc[nH+]c3c(Br)cccc23)no1 ZINC000301270863 1026745156 /nfs/dbraw/zinc/74/51/56/1026745156.db2.gz QXEDQRZQXBHXSD-UHFFFAOYSA-N 1 2 332.201 3.930 20 0 EHADLO Fc1ccc(C2=CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301283256 1026749095 /nfs/dbraw/zinc/74/90/95/1026749095.db2.gz YJZWRGSWUWYZOR-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO Fc1ccc(C2=CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000301283256 1026749104 /nfs/dbraw/zinc/74/91/04/1026749104.db2.gz YJZWRGSWUWYZOR-UHFFFAOYSA-N 1 2 338.430 3.900 20 0 EHADLO CCc1cc(N2CCC[C@H]2c2cc(OC)ccc2OC)nc(C)[nH+]1 ZINC000301378314 1026782312 /nfs/dbraw/zinc/78/23/12/1026782312.db2.gz YRIDSACQCIFLMQ-KRWDZBQOSA-N 1 2 327.428 3.706 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000428343345 1026782717 /nfs/dbraw/zinc/78/27/17/1026782717.db2.gz BANSCGPXOZBYAY-MRXNPFEDSA-N 1 2 327.432 3.636 20 0 EHADLO CSc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000531337807 1026808688 /nfs/dbraw/zinc/80/86/88/1026808688.db2.gz IBCYNOGJOMTYLO-INIZCTEOSA-N 1 2 345.443 3.546 20 0 EHADLO CSc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000531337807 1026808697 /nfs/dbraw/zinc/80/86/97/1026808697.db2.gz IBCYNOGJOMTYLO-INIZCTEOSA-N 1 2 345.443 3.546 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000277754345 1026809454 /nfs/dbraw/zinc/80/94/54/1026809454.db2.gz RGWGJWXKQNSEIB-ZBFHGGJFSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000728500197 1026820179 /nfs/dbraw/zinc/82/01/79/1026820179.db2.gz VYTGCCPFHGBMHT-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000531339875 1026826951 /nfs/dbraw/zinc/82/69/51/1026826951.db2.gz ANOQIADSEJUNSV-HNNXBMFYSA-N 1 2 339.277 3.898 20 0 EHADLO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000531339875 1026826953 /nfs/dbraw/zinc/82/69/53/1026826953.db2.gz ANOQIADSEJUNSV-HNNXBMFYSA-N 1 2 339.277 3.898 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc(C(C)C)[nH+]1 ZINC000301639554 1026884477 /nfs/dbraw/zinc/88/44/77/1026884477.db2.gz LSXIQIWEEHUQTE-AWEZNQCLSA-N 1 2 347.484 3.509 20 0 EHADLO Cc1nc(N2CCC(OCCc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301712047 1026912169 /nfs/dbraw/zinc/91/21/69/1026912169.db2.gz YEUOIYGLOBTWCD-UHFFFAOYSA-N 1 2 325.456 3.630 20 0 EHADLO COC(=O)c1ccc(CNc2[nH+]c3ccccc3cc2C)cc1OC ZINC000301781807 1026935374 /nfs/dbraw/zinc/93/53/74/1026935374.db2.gz SMFPOSYTBGXBIW-UHFFFAOYSA-N 1 2 336.391 3.951 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H]1CCOC(C)(C)C1 ZINC000301833598 1026957383 /nfs/dbraw/zinc/95/73/83/1026957383.db2.gz VAIBDMTUDKDRFR-ZDUSSCGKSA-N 1 2 328.412 3.781 20 0 EHADLO Cc1ccc(C[C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)s1 ZINC000301854430 1026965441 /nfs/dbraw/zinc/96/54/41/1026965441.db2.gz BOYWIRGWCBYKNT-LLVKDONJSA-N 1 2 329.473 3.994 20 0 EHADLO CC(C)(C)n1ncc2c1ncnc2Oc1cccc(-n2cc[nH+]c2)c1 ZINC000301886809 1026979423 /nfs/dbraw/zinc/97/94/23/1026979423.db2.gz QFAAPYVMBSRTGS-UHFFFAOYSA-N 1 2 334.383 3.559 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000158753333 1026996980 /nfs/dbraw/zinc/99/69/80/1026996980.db2.gz UEOSLTKYQAHCDY-MRXNPFEDSA-N 1 2 328.481 3.504 20 0 EHADLO CCC1(CC)[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C[C@@H]1OC ZINC000301927985 1026998690 /nfs/dbraw/zinc/99/86/90/1026998690.db2.gz NHPBRZPWNZTGHQ-KGLIPLIRSA-N 1 2 331.464 3.587 20 0 EHADLO CCc1nsc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972988 1027011656 /nfs/dbraw/zinc/01/16/56/1027011656.db2.gz JALUJAULGMOHDH-JSGCOSHPSA-N 1 2 340.855 3.750 20 0 EHADLO CCc1nsc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972988 1027011662 /nfs/dbraw/zinc/01/16/62/1027011662.db2.gz JALUJAULGMOHDH-JSGCOSHPSA-N 1 2 340.855 3.750 20 0 EHADLO CCc1ccc(O)c(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342783202 1027027771 /nfs/dbraw/zinc/02/77/71/1027027771.db2.gz IDBXLTBWQKLGSQ-MRXNPFEDSA-N 1 2 335.407 3.838 20 0 EHADLO Cc1nc(NCCCc2nc3ccccc3n2C)c2c([nH+]1)CCCC2 ZINC000302082809 1027047536 /nfs/dbraw/zinc/04/75/36/1027047536.db2.gz JTCFZNJFSJXLDE-UHFFFAOYSA-N 1 2 335.455 3.595 20 0 EHADLO COc1ccccc1O[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302106320 1027055092 /nfs/dbraw/zinc/05/50/92/1027055092.db2.gz SBRWVGYFHBDEMB-ZDUSSCGKSA-N 1 2 327.428 3.552 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000074990509 1027093809 /nfs/dbraw/zinc/09/38/09/1027093809.db2.gz KEZIBYWWXHULHW-GJZGRUSLSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000074990509 1027093818 /nfs/dbraw/zinc/09/38/18/1027093818.db2.gz KEZIBYWWXHULHW-GJZGRUSLSA-N 1 2 347.434 3.932 20 0 EHADLO CCOc1ccc2c(c1)[C@@H](Nc1cc(NCC3CC3)[nH+]cn1)CCO2 ZINC000302352490 1027129607 /nfs/dbraw/zinc/12/96/07/1027129607.db2.gz DKPSQYMBMMLFEO-INIZCTEOSA-N 1 2 340.427 3.633 20 0 EHADLO CCOc1ccc2c(c1)[C@@H](Nc1cc(NCC3CC3)nc[nH+]1)CCO2 ZINC000302352490 1027129618 /nfs/dbraw/zinc/12/96/18/1027129618.db2.gz DKPSQYMBMMLFEO-INIZCTEOSA-N 1 2 340.427 3.633 20 0 EHADLO Cc1cc(N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)nc(C(C)C)[nH+]1 ZINC000302368446 1027133324 /nfs/dbraw/zinc/13/33/24/1027133324.db2.gz GEQATGJWJPFLCC-GOSISDBHSA-N 1 2 339.418 3.983 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1-c1cccs1 ZINC000043913794 1027137059 /nfs/dbraw/zinc/13/70/59/1027137059.db2.gz FFTSGVFYCJHMHC-UHFFFAOYSA-N 1 2 326.425 3.823 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)Cc1ccco1 ZINC000531649515 1027143781 /nfs/dbraw/zinc/14/37/81/1027143781.db2.gz UPPUHVOVCWAUHW-FQEVSTJZSA-N 1 2 344.430 3.898 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)Cc1ccco1 ZINC000531649515 1027143788 /nfs/dbraw/zinc/14/37/88/1027143788.db2.gz UPPUHVOVCWAUHW-FQEVSTJZSA-N 1 2 344.430 3.898 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534543 1027146604 /nfs/dbraw/zinc/14/66/04/1027146604.db2.gz MQQCCQSDPAZPMM-HNNXBMFYSA-N 1 2 331.847 3.792 20 0 EHADLO C[C@H](CC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C)n1cc[nH+]c1 ZINC000582731118 1027156581 /nfs/dbraw/zinc/15/65/81/1027156581.db2.gz SJBIKWXDTYZJQD-PBHICJAKSA-N 1 2 347.434 3.583 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553009 1027167965 /nfs/dbraw/zinc/16/79/65/1027167965.db2.gz QKBFUNQVOWDKFW-UZYOAWRESA-N 1 2 349.356 3.848 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554068 1027169121 /nfs/dbraw/zinc/16/91/21/1027169121.db2.gz RBEJJTSMDBZXTK-GFCCVEGCSA-N 1 2 327.359 3.623 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556713 1027171159 /nfs/dbraw/zinc/17/11/59/1027171159.db2.gz WMBMOMZLMYUYPR-MRXNPFEDSA-N 1 2 336.439 3.620 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556071 1027171180 /nfs/dbraw/zinc/17/11/80/1027171180.db2.gz SSDTWZGBACIKNO-LBPRGKRZSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000501275731 1027176572 /nfs/dbraw/zinc/17/65/72/1027176572.db2.gz OFCGWRSRYSFKRM-UHFFFAOYSA-N 1 2 339.395 3.927 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c(C)[nH+]1 ZINC000419778350 1027177313 /nfs/dbraw/zinc/17/73/13/1027177313.db2.gz HHRHYACDTJYKDX-JKSUJKDBSA-N 1 2 345.487 3.619 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)c1nccs1 ZINC000273074760 1027256958 /nfs/dbraw/zinc/25/69/58/1027256958.db2.gz JYYRNXBGBLIBLM-FZMZJTMJSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273074760 1027256969 /nfs/dbraw/zinc/25/69/69/1027256969.db2.gz JYYRNXBGBLIBLM-FZMZJTMJSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000273074762 1027257328 /nfs/dbraw/zinc/25/73/28/1027257328.db2.gz JYYRNXBGBLIBLM-RISCZKNCSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273074762 1027257341 /nfs/dbraw/zinc/25/73/41/1027257341.db2.gz JYYRNXBGBLIBLM-RISCZKNCSA-N 1 2 338.860 3.746 20 0 EHADLO C[C@@]1(F)CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411291 1027267206 /nfs/dbraw/zinc/26/72/06/1027267206.db2.gz POZURYJIFBTKEL-RTBURBONSA-N 1 2 336.426 3.607 20 0 EHADLO C[C@@]1(F)CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411291 1027267222 /nfs/dbraw/zinc/26/72/22/1027267222.db2.gz POZURYJIFBTKEL-RTBURBONSA-N 1 2 336.426 3.607 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000076339564 1027274194 /nfs/dbraw/zinc/27/41/94/1027274194.db2.gz BFEMLXOVFWLXHN-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO C[C@]1(F)CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428755 1027278152 /nfs/dbraw/zinc/27/81/52/1027278152.db2.gz UNYJKYCGLZQCBL-FPOVZHCZSA-N 1 2 340.442 3.521 20 0 EHADLO C[C@]1(F)CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428755 1027278170 /nfs/dbraw/zinc/27/81/70/1027278170.db2.gz UNYJKYCGLZQCBL-FPOVZHCZSA-N 1 2 340.442 3.521 20 0 EHADLO Fc1cccc2c1SCC[C@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302793464 1027293689 /nfs/dbraw/zinc/29/36/89/1027293689.db2.gz NGLNFFCXMRBYNJ-CQSZACIVSA-N 1 2 330.432 3.865 20 0 EHADLO Fc1cccc2c1SCC[C@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302793464 1027293703 /nfs/dbraw/zinc/29/37/03/1027293703.db2.gz NGLNFFCXMRBYNJ-CQSZACIVSA-N 1 2 330.432 3.865 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000273171728 1027295299 /nfs/dbraw/zinc/29/52/99/1027295299.db2.gz FJGUIBYYKMOPOS-LLVKDONJSA-N 1 2 325.441 3.573 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000273171728 1027295310 /nfs/dbraw/zinc/29/53/10/1027295310.db2.gz FJGUIBYYKMOPOS-LLVKDONJSA-N 1 2 325.441 3.573 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cs1 ZINC000076550697 1027297372 /nfs/dbraw/zinc/29/73/72/1027297372.db2.gz BSFWZFVBCNEGFG-UHFFFAOYSA-N 1 2 343.496 3.661 20 0 EHADLO COc1ccc2ccccc2c1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302802679 1027299515 /nfs/dbraw/zinc/29/95/15/1027299515.db2.gz UWBGRKIVZVOEHY-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO COc1ccc2ccccc2c1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302802679 1027299535 /nfs/dbraw/zinc/29/95/35/1027299535.db2.gz UWBGRKIVZVOEHY-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO Cc1nc(N2CCC(O)(c3ccccc3Cl)CC2)c(C)c(C)[nH+]1 ZINC000302843832 1027323120 /nfs/dbraw/zinc/32/31/20/1027323120.db2.gz NBQOMKSFTFYSLQ-UHFFFAOYSA-N 1 2 331.847 3.543 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1ncc(-c2ccccc2)o1 ZINC000273276956 1027352739 /nfs/dbraw/zinc/35/27/39/1027352739.db2.gz HPTOHLXQUVETSR-OAHLLOKOSA-N 1 2 341.455 3.831 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302918724 1027362901 /nfs/dbraw/zinc/36/29/01/1027362901.db2.gz YANIIEIXEBLSFC-UONOGXRCSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@@H]1CCCC[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302918724 1027362923 /nfs/dbraw/zinc/36/29/23/1027362923.db2.gz YANIIEIXEBLSFC-UONOGXRCSA-N 1 2 338.546 3.506 20 0 EHADLO CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC(C)(C)C1 ZINC000459300392 1027412917 /nfs/dbraw/zinc/41/29/17/1027412917.db2.gz KAKRZVPKQFBQHC-UHFFFAOYSA-N 1 2 336.505 3.781 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3scnc3C3CCCC3)n2)C1 ZINC000273499606 1027459045 /nfs/dbraw/zinc/45/90/45/1027459045.db2.gz RMZNPCWTMVMLFQ-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3scnc3C3CCCC3)n2)C1 ZINC000273499606 1027459053 /nfs/dbraw/zinc/45/90/53/1027459053.db2.gz RMZNPCWTMVMLFQ-ZDUSSCGKSA-N 1 2 348.472 3.632 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccc(F)c(F)c1 ZINC000188732179 1027482056 /nfs/dbraw/zinc/48/20/56/1027482056.db2.gz MNNMEBOLAGSDKC-ZDUSSCGKSA-N 1 2 346.171 3.798 20 0 EHADLO Cc1ccccc1[C@@H](c1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497664 1027566857 /nfs/dbraw/zinc/56/68/57/1027566857.db2.gz KQEOSNHFKMXUBV-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccccc1[C@@H](c1noc([C@H]2C[N@H+](C(C)C)CCO2)n1)C(C)C ZINC000420497664 1027566871 /nfs/dbraw/zinc/56/68/71/1027566871.db2.gz KQEOSNHFKMXUBV-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1nc(N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc[nH+]1 ZINC000078259530 1027587808 /nfs/dbraw/zinc/58/78/08/1027587808.db2.gz DAQUJEYNGUQDBI-ZDUSSCGKSA-N 1 2 333.395 3.605 20 0 EHADLO CCc1ccc(CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000078288097 1027613240 /nfs/dbraw/zinc/61/32/40/1027613240.db2.gz KFZOOEAHVPJLLT-UHFFFAOYSA-N 1 2 347.462 3.743 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc(C)[nH+]1 ZINC000422198316 1027642140 /nfs/dbraw/zinc/64/21/40/1027642140.db2.gz CBPBPJVUYGDNHI-SUMWQHHRSA-N 1 2 327.428 3.974 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000130221110 1027647648 /nfs/dbraw/zinc/64/76/48/1027647648.db2.gz UYCBRDKSWOHSCR-INIZCTEOSA-N 1 2 328.481 3.504 20 0 EHADLO Cc1[nH+]cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)n1-c1ccccc1 ZINC000237514902 1027653983 /nfs/dbraw/zinc/65/39/83/1027653983.db2.gz UIDLULRYCPQDSJ-ZDUSSCGKSA-N 1 2 339.443 3.712 20 0 EHADLO C[NH2+]Cc1noc(C(C)(C)c2csc(-c3ccc(F)cc3C)n2)n1 ZINC000414644831 1027660520 /nfs/dbraw/zinc/66/05/20/1027660520.db2.gz OYYAMCHRVBPFDO-UHFFFAOYSA-N 1 2 346.431 3.686 20 0 EHADLO S=C(NCCn1cc[nH+]c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000048041023 1027702823 /nfs/dbraw/zinc/70/28/23/1027702823.db2.gz ASTXLMYVULQJPA-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO COCc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)no1 ZINC000459339418 1027723716 /nfs/dbraw/zinc/72/37/16/1027723716.db2.gz CZTJTLYIVHCJKV-NRFANRHFSA-N 1 2 334.419 3.969 20 0 EHADLO COCc1cc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)no1 ZINC000459339418 1027723735 /nfs/dbraw/zinc/72/37/35/1027723735.db2.gz CZTJTLYIVHCJKV-NRFANRHFSA-N 1 2 334.419 3.969 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2SCCc3ccccc32)cc(C)[nH+]1 ZINC000420798077 1027739245 /nfs/dbraw/zinc/73/92/45/1027739245.db2.gz HNVZIWGFTRRGRF-GOSISDBHSA-N 1 2 341.480 3.528 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000131114737 1027739977 /nfs/dbraw/zinc/73/99/77/1027739977.db2.gz HKFOFTROQXPNLC-IBGZPJMESA-N 1 2 348.441 3.574 20 0 EHADLO C[C@H]1C[C@]1([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000503366754 1027745882 /nfs/dbraw/zinc/74/58/82/1027745882.db2.gz KCLIOEJZTHCXLT-SCLBCKFNSA-N 1 2 330.863 3.683 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000582805154 1027770087 /nfs/dbraw/zinc/77/00/87/1027770087.db2.gz HEMHJZOMNFEZIK-FGTMMUONSA-N 1 2 338.455 3.600 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000420842140 1027784303 /nfs/dbraw/zinc/78/43/03/1027784303.db2.gz CYAHLXSTRZZRSZ-UKRRQHHQSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc(C)[nH+]1 ZINC000420848954 1027793006 /nfs/dbraw/zinc/79/30/06/1027793006.db2.gz MXFFMBLZZZEUEE-CQSZACIVSA-N 1 2 343.393 3.818 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@](F)(c3ccccc3C)C2)cc(C)[nH+]1 ZINC000420853303 1027798139 /nfs/dbraw/zinc/79/81/39/1027798139.db2.gz UBUSTHPKHCKBJQ-FQEVSTJZSA-N 1 2 341.430 3.787 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC000420869314 1027828486 /nfs/dbraw/zinc/82/84/86/1027828486.db2.gz UPEBLVHAVIMJDC-WMLDXEAASA-N 1 2 347.821 3.846 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131841979 1027830466 /nfs/dbraw/zinc/83/04/66/1027830466.db2.gz GKNANBLHAVKBLA-CQSZACIVSA-N 1 2 343.858 3.685 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)CCc2ccc(Br)cc2)n1 ZINC000420917891 1027902770 /nfs/dbraw/zinc/90/27/70/1027902770.db2.gz UODZHKAFEVIJRK-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)CCc2ccc(Br)cc2)n1 ZINC000420917891 1027902786 /nfs/dbraw/zinc/90/27/86/1027902786.db2.gz UODZHKAFEVIJRK-UHFFFAOYSA-N 1 2 342.668 3.511 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420947924 1027911758 /nfs/dbraw/zinc/91/17/58/1027911758.db2.gz NKKDEORYTVXQPC-LBPRGKRZSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420947924 1027911773 /nfs/dbraw/zinc/91/17/73/1027911773.db2.gz NKKDEORYTVXQPC-LBPRGKRZSA-N 1 2 332.341 3.737 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000420954392 1027915941 /nfs/dbraw/zinc/91/59/41/1027915941.db2.gz UULYCSPLWVIROB-NSHDSACASA-N 1 2 342.390 3.765 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000420954392 1027915954 /nfs/dbraw/zinc/91/59/54/1027915954.db2.gz UULYCSPLWVIROB-NSHDSACASA-N 1 2 342.390 3.765 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccsc1 ZINC000523138495 1027923361 /nfs/dbraw/zinc/92/33/61/1027923361.db2.gz WLBHHUYAQPDHGX-JZLODUJNSA-N 1 2 340.492 3.709 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000420957045 1027925857 /nfs/dbraw/zinc/92/58/57/1027925857.db2.gz ZAHJZOMTWOFYEC-JTQLQIEISA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000420957045 1027925872 /nfs/dbraw/zinc/92/58/72/1027925872.db2.gz ZAHJZOMTWOFYEC-JTQLQIEISA-N 1 2 331.363 3.963 20 0 EHADLO Cc1cc(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c[nH+]1 ZINC000536618248 1027935264 /nfs/dbraw/zinc/93/52/64/1027935264.db2.gz HKCZIRQWAABROW-STQMWFEESA-N 1 2 329.366 3.611 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cc(F)ccc1F ZINC000503594292 1027936872 /nfs/dbraw/zinc/93/68/72/1027936872.db2.gz LVMQFNRUYBCRTF-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cc(F)ccc1F ZINC000503594292 1027936882 /nfs/dbraw/zinc/93/68/82/1027936882.db2.gz LVMQFNRUYBCRTF-GFCCVEGCSA-N 1 2 334.341 3.532 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@@H](CC)O1 ZINC000420964658 1027937115 /nfs/dbraw/zinc/93/71/15/1027937115.db2.gz XDIQDQPXYDOZCE-DJIMGWMZSA-N 1 2 329.444 3.995 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000533492974 1027953032 /nfs/dbraw/zinc/95/30/32/1027953032.db2.gz KMOVJBCYDMSGHP-CHWSQXEVSA-N 1 2 330.394 3.699 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000533492974 1027953046 /nfs/dbraw/zinc/95/30/46/1027953046.db2.gz KMOVJBCYDMSGHP-CHWSQXEVSA-N 1 2 330.394 3.699 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC[C@]34CCOC4)co2)cc1 ZINC000421011304 1027962013 /nfs/dbraw/zinc/96/20/13/1027962013.db2.gz DJTGUQOOUGRTHU-MRXNPFEDSA-N 1 2 338.329 3.725 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC[C@]34CCOC4)co2)cc1 ZINC000421011304 1027962027 /nfs/dbraw/zinc/96/20/27/1027962027.db2.gz DJTGUQOOUGRTHU-MRXNPFEDSA-N 1 2 338.329 3.725 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc(C(F)(F)F)c1 ZINC001143448101 1027962962 /nfs/dbraw/zinc/96/29/62/1027962962.db2.gz LKEQTWYSELACPF-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO CC[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(OC)cc1 ZINC000120341386 1027997341 /nfs/dbraw/zinc/99/73/41/1027997341.db2.gz SZCBRJYVNBTYJA-MRXNPFEDSA-N 1 2 341.455 3.639 20 0 EHADLO CCOc1ccc(OCC)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421035678 1027997553 /nfs/dbraw/zinc/99/75/53/1027997553.db2.gz DNLDFTYLHLZYHW-UHFFFAOYSA-N 1 2 343.427 3.818 20 0 EHADLO OC[C@@H]1C=C[C@H]([N@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342882 1028004484 /nfs/dbraw/zinc/00/44/84/1028004484.db2.gz FWQLMEHBCQJAJO-CABCVRRESA-N 1 2 340.448 3.829 20 0 EHADLO OC[C@@H]1C=C[C@H]([N@@H+](Cc2cccs2)Cc2nc3ccccc3o2)C1 ZINC000347342882 1028004504 /nfs/dbraw/zinc/00/45/04/1028004504.db2.gz FWQLMEHBCQJAJO-CABCVRRESA-N 1 2 340.448 3.829 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c1C ZINC000078596833 1028011249 /nfs/dbraw/zinc/01/12/49/1028011249.db2.gz BTPKBEIJPMCPNV-CQSZACIVSA-N 1 2 346.496 3.615 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+]2CCc3sccc3[C@H]2C)c1C ZINC000078596833 1028011260 /nfs/dbraw/zinc/01/12/60/1028011260.db2.gz BTPKBEIJPMCPNV-CQSZACIVSA-N 1 2 346.496 3.615 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000503663314 1028020735 /nfs/dbraw/zinc/02/07/35/1028020735.db2.gz NGPNTBRMVIDIJJ-LLVKDONJSA-N 1 2 331.243 3.902 20 0 EHADLO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000503663314 1028020758 /nfs/dbraw/zinc/02/07/58/1028020758.db2.gz NGPNTBRMVIDIJJ-LLVKDONJSA-N 1 2 331.243 3.902 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378506 1028024958 /nfs/dbraw/zinc/02/49/58/1028024958.db2.gz JHMWSRLPRKEJBH-JHJVBQTASA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C1(C)C ZINC000133378506 1028024971 /nfs/dbraw/zinc/02/49/71/1028024971.db2.gz JHMWSRLPRKEJBH-JHJVBQTASA-N 1 2 327.494 3.519 20 0 EHADLO CCc1sc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1C ZINC000277937490 1028027758 /nfs/dbraw/zinc/02/77/58/1028027758.db2.gz DTWBYFXTVOMVAD-CHWSQXEVSA-N 1 2 333.457 3.595 20 0 EHADLO CCc1sc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1C ZINC000277937490 1028027776 /nfs/dbraw/zinc/02/77/76/1028027776.db2.gz DTWBYFXTVOMVAD-CHWSQXEVSA-N 1 2 333.457 3.595 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)nc2cc(Cl)ccc21 ZINC000051828058 1028058063 /nfs/dbraw/zinc/05/80/63/1028058063.db2.gz SVQQFSPLEFUOAK-UHFFFAOYSA-N 1 2 343.814 3.587 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)nc2cc(Cl)ccc21 ZINC000051828058 1028058081 /nfs/dbraw/zinc/05/80/81/1028058081.db2.gz SVQQFSPLEFUOAK-UHFFFAOYSA-N 1 2 343.814 3.587 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc(C)[nH+]1 ZINC000421075250 1028058734 /nfs/dbraw/zinc/05/87/34/1028058734.db2.gz WFQGXFGGUIBLGB-UHFFFAOYSA-N 1 2 340.427 3.615 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NCC1CC1 ZINC000533557521 1028075482 /nfs/dbraw/zinc/07/54/82/1028075482.db2.gz BWNXXFCFZLGTCV-INIZCTEOSA-N 1 2 340.389 3.759 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NCC1CC1 ZINC000533557521 1028075509 /nfs/dbraw/zinc/07/55/09/1028075509.db2.gz BWNXXFCFZLGTCV-INIZCTEOSA-N 1 2 340.389 3.759 20 0 EHADLO Clc1cccc2c1CC[N@H+](Cc1ccc(N3CCCC3)nc1)C2 ZINC000353520306 1028081458 /nfs/dbraw/zinc/08/14/58/1028081458.db2.gz NZXWLRNWVKAIEA-UHFFFAOYSA-N 1 2 327.859 3.894 20 0 EHADLO Clc1cccc2c1CC[N@@H+](Cc1ccc(N3CCCC3)nc1)C2 ZINC000353520306 1028081474 /nfs/dbraw/zinc/08/14/74/1028081474.db2.gz NZXWLRNWVKAIEA-UHFFFAOYSA-N 1 2 327.859 3.894 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)cc1 ZINC000015298629 1028093483 /nfs/dbraw/zinc/09/34/83/1028093483.db2.gz LUDALJKYJNOLBS-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)cc1 ZINC000015298629 1028093497 /nfs/dbraw/zinc/09/34/97/1028093497.db2.gz LUDALJKYJNOLBS-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO CCOc1cccc(/C=C/c2nc(C[NH2+]C)no2)c1OC1CCCC1 ZINC000414501054 1028118199 /nfs/dbraw/zinc/11/81/99/1028118199.db2.gz MTWMXJPKRYBQRY-VAWYXSNFSA-N 1 2 343.427 3.680 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444656405 1028119918 /nfs/dbraw/zinc/11/99/18/1028119918.db2.gz FKFUNTIAPAVHNC-CRAIPNDOSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710452 1028190052 /nfs/dbraw/zinc/19/00/52/1028190052.db2.gz VPOURFVBUSXSJO-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710452 1028190066 /nfs/dbraw/zinc/19/00/66/1028190066.db2.gz VPOURFVBUSXSJO-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Cl ZINC000152671653 1028190561 /nfs/dbraw/zinc/19/05/61/1028190561.db2.gz AUVYFEQFHPIGMG-SUMWQHHRSA-N 1 2 331.847 3.612 20 0 EHADLO CCCc1csc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000503903760 1028196372 /nfs/dbraw/zinc/19/63/72/1028196372.db2.gz XPXIYZHATIGZIW-AWEZNQCLSA-N 1 2 337.876 3.990 20 0 EHADLO C[C@H]1C[C@@H](CSCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000421226441 1028211721 /nfs/dbraw/zinc/21/17/21/1028211721.db2.gz OLSHTSCRKCACBO-LPHOPBHVSA-N 1 2 335.513 3.567 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726015 1028216782 /nfs/dbraw/zinc/21/67/82/1028216782.db2.gz IAJRJLFQTDOGTD-TZMCWYRMSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726015 1028216793 /nfs/dbraw/zinc/21/67/93/1028216793.db2.gz IAJRJLFQTDOGTD-TZMCWYRMSA-N 1 2 348.434 3.936 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000246322003 1028217300 /nfs/dbraw/zinc/21/73/00/1028217300.db2.gz IKVIQBXMYIJGTK-UNIGVISCSA-N 1 2 337.533 3.694 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000246322003 1028217318 /nfs/dbraw/zinc/21/73/18/1028217318.db2.gz IKVIQBXMYIJGTK-UNIGVISCSA-N 1 2 337.533 3.694 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000444723667 1028217700 /nfs/dbraw/zinc/21/77/00/1028217700.db2.gz ACEHXZMMYXOFOS-ZWNOBZJWSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000444723667 1028217720 /nfs/dbraw/zinc/21/77/20/1028217720.db2.gz ACEHXZMMYXOFOS-ZWNOBZJWSA-N 1 2 336.423 3.576 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000428377662 1028244519 /nfs/dbraw/zinc/24/45/19/1028244519.db2.gz VCTCQGIQURJSOW-QGZVFWFLSA-N 1 2 337.467 3.525 20 0 EHADLO COCC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(C)o1 ZINC000455481832 1028246704 /nfs/dbraw/zinc/24/67/04/1028246704.db2.gz HYSCEORPEYLDPW-HNNXBMFYSA-N 1 2 331.416 3.808 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)cc3)cn2c1 ZINC000055254528 1028265045 /nfs/dbraw/zinc/26/50/45/1028265045.db2.gz GGIZBOJHXCEOPK-UHFFFAOYSA-N 1 2 329.400 3.654 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000444776441 1028266183 /nfs/dbraw/zinc/26/61/83/1028266183.db2.gz BYNCKLSVMNHERS-AWEZNQCLSA-N 1 2 339.361 3.836 20 0 EHADLO Cc1c(Cl)c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)nn1C ZINC000421323894 1028268363 /nfs/dbraw/zinc/26/83/63/1028268363.db2.gz WUFRCZXVIXAZNB-UHFFFAOYSA-N 1 2 347.890 3.811 20 0 EHADLO Cc1c(Cl)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)nn1C ZINC000421323894 1028268373 /nfs/dbraw/zinc/26/83/73/1028268373.db2.gz WUFRCZXVIXAZNB-UHFFFAOYSA-N 1 2 347.890 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2ccccc2)[C@@H](C)CCO)c(C)[nH+]1 ZINC000455500072 1028274705 /nfs/dbraw/zinc/27/47/05/1028274705.db2.gz SSBGPTNMFOJORW-INIZCTEOSA-N 1 2 341.455 3.812 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)NCCC(C)(C)C)CC2)s1 ZINC000523414178 1028282201 /nfs/dbraw/zinc/28/22/01/1028282201.db2.gz QVQIWUVAGNEJSO-UHFFFAOYSA-N 1 2 337.533 3.574 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccccc2N2CCCCC2)nn1C ZINC000421343297 1028286397 /nfs/dbraw/zinc/28/63/97/1028286397.db2.gz NGGSVSZEXHUPKZ-UHFFFAOYSA-N 1 2 332.879 3.662 20 0 EHADLO OCC1CCN(c2[nH+]cccc2NCc2cccc(C3CC3)c2)CC1 ZINC000421344189 1028288007 /nfs/dbraw/zinc/28/80/07/1028288007.db2.gz SFVYUHSKVUYPDR-UHFFFAOYSA-N 1 2 337.467 3.780 20 0 EHADLO Cc1cn2cc(NC(=O)NC(C)(C)c3cccc(F)c3)ccc2[nH+]1 ZINC000523425458 1028293652 /nfs/dbraw/zinc/29/36/52/1028293652.db2.gz SGPVVQPEPZMIEM-UHFFFAOYSA-N 1 2 326.375 3.839 20 0 EHADLO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[C@H]1c1ccccc1 ZINC000423232168 1028299809 /nfs/dbraw/zinc/29/98/09/1028299809.db2.gz HQWUCPBXMMLVFW-MUKKUYKPSA-N 1 2 344.405 3.617 20 0 EHADLO O=C(CCc1cc(F)ccc1F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000056014143 1028307469 /nfs/dbraw/zinc/30/74/69/1028307469.db2.gz JZFSDEMVJXDRGC-UHFFFAOYSA-N 1 2 327.334 3.722 20 0 EHADLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359367 1028307843 /nfs/dbraw/zinc/30/78/43/1028307843.db2.gz FQWMSOJYQNLIIZ-BDAKNGLRSA-N 1 2 338.698 3.614 20 0 EHADLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000421359367 1028307862 /nfs/dbraw/zinc/30/78/62/1028307862.db2.gz FQWMSOJYQNLIIZ-BDAKNGLRSA-N 1 2 338.698 3.614 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511216681 1028317977 /nfs/dbraw/zinc/31/79/77/1028317977.db2.gz ZORCLOUMRPVIFR-ZWKOTPCHSA-N 1 2 329.488 3.773 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1nccs1 ZINC000459371957 1028323359 /nfs/dbraw/zinc/32/33/59/1028323359.db2.gz HMWDEYZJPRDSHU-SFHVURJKSA-N 1 2 340.452 3.721 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(Cl)cc1F ZINC000056526403 1028327622 /nfs/dbraw/zinc/32/76/22/1028327622.db2.gz VKTDNPFQEUFUOQ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000523458552 1028346916 /nfs/dbraw/zinc/34/69/16/1028346916.db2.gz LFWSHIZNTWWYFD-CYBMUJFWSA-N 1 2 343.452 3.957 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2[nH]ccc2c1 ZINC000431509907 1028354537 /nfs/dbraw/zinc/35/45/37/1028354537.db2.gz XCXACLQZQFLDGY-UHFFFAOYSA-N 1 2 330.391 3.594 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000454284270 1028365210 /nfs/dbraw/zinc/36/52/10/1028365210.db2.gz XQOKOJBUERVWFW-OAHLLOKOSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000729678415 1028393372 /nfs/dbraw/zinc/39/33/72/1028393372.db2.gz UJDSXOYFAKJQLI-GOSISDBHSA-N 1 2 336.439 3.972 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)[C@H](C)Cc3cccc(F)c3)ccc2[nH+]1 ZINC000459378195 1028398900 /nfs/dbraw/zinc/39/89/00/1028398900.db2.gz VMTMNZQGSUMOET-CQSZACIVSA-N 1 2 340.402 3.877 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193982 1028423008 /nfs/dbraw/zinc/42/30/08/1028423008.db2.gz FVTYMEWIMHDNAW-KGLIPLIRSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193982 1028423016 /nfs/dbraw/zinc/42/30/16/1028423016.db2.gz FVTYMEWIMHDNAW-KGLIPLIRSA-N 1 2 332.394 3.663 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000545939663 1028464246 /nfs/dbraw/zinc/46/42/46/1028464246.db2.gz WNSKWXOBZWGMFL-JQWIXIFHSA-N 1 2 330.375 3.855 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(Sc3ccccn3)o1)C2 ZINC000897334414 1028475958 /nfs/dbraw/zinc/47/59/58/1028475958.db2.gz SPSYLNBBZQATSY-UHFFFAOYSA-N 1 2 340.452 3.601 20 0 EHADLO O[C@@]1(C2CC2)CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000664353301 1028488029 /nfs/dbraw/zinc/48/80/29/1028488029.db2.gz ZWQGXCJZPFOCAL-KRWDZBQOSA-N 1 2 347.256 3.739 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)c1ccccc1 ZINC000504252265 1028525974 /nfs/dbraw/zinc/52/59/74/1028525974.db2.gz IEYRTBNYJHDCOY-QGZVFWFLSA-N 1 2 327.815 3.965 20 0 EHADLO COc1cc(C2(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)ccc1C ZINC000194632755 1028530386 /nfs/dbraw/zinc/53/03/86/1028530386.db2.gz YIYLPQSKJNZLRJ-UHFFFAOYSA-N 1 2 347.418 3.860 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)c2cccnc2)cn1 ZINC000430075040 1028530439 /nfs/dbraw/zinc/53/04/39/1028530439.db2.gz ALFFKFKDBVHILT-HNNXBMFYSA-N 1 2 334.423 3.740 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H](C)c2cccnc2)cn1 ZINC000430075040 1028530460 /nfs/dbraw/zinc/53/04/60/1028530460.db2.gz ALFFKFKDBVHILT-HNNXBMFYSA-N 1 2 334.423 3.740 20 0 EHADLO CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475621983 1028531232 /nfs/dbraw/zinc/53/12/32/1028531232.db2.gz DWWKPXGJLZWRRV-HKUYNNGSSA-N 1 2 344.480 3.580 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@]2(CCOC2)O1 ZINC000475621983 1028531242 /nfs/dbraw/zinc/53/12/42/1028531242.db2.gz DWWKPXGJLZWRRV-HKUYNNGSSA-N 1 2 344.480 3.580 20 0 EHADLO Cc1ccccc1CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000504285479 1028550896 /nfs/dbraw/zinc/55/08/96/1028550896.db2.gz AWTHEPQZNPCBSM-UHFFFAOYSA-N 1 2 349.434 3.842 20 0 EHADLO CCC[C@H](C(=O)OCC)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000502684540 1028553839 /nfs/dbraw/zinc/55/38/39/1028553839.db2.gz PYXJAISLLVEWAZ-GOSISDBHSA-N 1 2 331.456 3.622 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)[nH+]c12 ZINC000523700854 1028554131 /nfs/dbraw/zinc/55/41/31/1028554131.db2.gz XGVBQLFDNLJSGM-BMGDILEWSA-N 1 2 325.456 3.612 20 0 EHADLO CC(C)[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000504344599 1028568604 /nfs/dbraw/zinc/56/86/04/1028568604.db2.gz HFCYGBJZWDSVDY-GOSISDBHSA-N 1 2 340.471 3.623 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc(C)[nH+]1 ZINC000421578413 1028571559 /nfs/dbraw/zinc/57/15/59/1028571559.db2.gz RAAZMOVTGJWUAU-ZIAGYGMSSA-N 1 2 334.341 3.536 20 0 EHADLO COc1cc(C2(C(=O)NCc3cc(C)[nH+]c(C)c3)CCC2)ccc1C ZINC000421580075 1028574722 /nfs/dbraw/zinc/57/47/22/1028574722.db2.gz VMPLYCWMKIIZNN-UHFFFAOYSA-N 1 2 338.451 3.754 20 0 EHADLO Cc1nnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1C1CC1 ZINC000343001859 1028600641 /nfs/dbraw/zinc/60/06/41/1028600641.db2.gz HKZUYJLRFPAZEN-UHFFFAOYSA-N 1 2 336.361 3.719 20 0 EHADLO Cc1nc2ccc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)cc2o1 ZINC000074430606 1028613432 /nfs/dbraw/zinc/61/34/32/1028613432.db2.gz FZHQGPWIOJCIHN-UHFFFAOYSA-N 1 2 332.363 3.883 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523796786 1028633502 /nfs/dbraw/zinc/63/35/02/1028633502.db2.gz BZQYTNDGMWEOFL-GOSISDBHSA-N 1 2 340.471 3.983 20 0 EHADLO CCCCCCNC(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054296844 1028654755 /nfs/dbraw/zinc/65/47/55/1028654755.db2.gz MXWRPXIMAKTBQC-UHFFFAOYSA-N 1 2 344.499 3.586 20 0 EHADLO Cn1c[nH+]cc1CNc1ccnn1Cc1cccc(Cl)c1Cl ZINC000237945453 1028670599 /nfs/dbraw/zinc/67/05/99/1028670599.db2.gz HLFOSDYXKWGDQP-UHFFFAOYSA-N 1 2 336.226 3.584 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246663128 1028675547 /nfs/dbraw/zinc/67/55/47/1028675547.db2.gz YAPMWQUJIUPPQT-YVEFUNNKSA-N 1 2 349.452 3.652 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246663128 1028675548 /nfs/dbraw/zinc/67/55/48/1028675548.db2.gz YAPMWQUJIUPPQT-YVEFUNNKSA-N 1 2 349.452 3.652 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)c(OC)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000428398012 1028680858 /nfs/dbraw/zinc/68/08/58/1028680858.db2.gz GZSPNKJQWRPPKP-GFCCVEGCSA-N 1 2 346.176 3.747 20 0 EHADLO CC[N@H+](Cc1cc(Cl)c(OC)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000428398012 1028680868 /nfs/dbraw/zinc/68/08/68/1028680868.db2.gz GZSPNKJQWRPPKP-GFCCVEGCSA-N 1 2 346.176 3.747 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCCC1 ZINC000504486645 1028685146 /nfs/dbraw/zinc/68/51/46/1028685146.db2.gz IYMRPQLCSUQCPX-UHFFFAOYSA-N 1 2 344.503 3.936 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000246750008 1028686034 /nfs/dbraw/zinc/68/60/34/1028686034.db2.gz PPOQKGYBWLRIMS-GDBMZVCRSA-N 1 2 346.500 3.960 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000246750008 1028686051 /nfs/dbraw/zinc/68/60/51/1028686051.db2.gz PPOQKGYBWLRIMS-GDBMZVCRSA-N 1 2 346.500 3.960 20 0 EHADLO CC(C)(C)c1csc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000502780379 1028693030 /nfs/dbraw/zinc/69/30/30/1028693030.db2.gz JOGPDOTUXHQJQT-UHFFFAOYSA-N 1 2 347.503 3.898 20 0 EHADLO Cc1ccc(CN(C(=O)NCCCCn2cc[nH+]c2)C(C)C)s1 ZINC000523902032 1028709776 /nfs/dbraw/zinc/70/97/76/1028709776.db2.gz DJAWFOVWYFEUOS-UHFFFAOYSA-N 1 2 334.489 3.653 20 0 EHADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454336206 1028765102 /nfs/dbraw/zinc/76/51/02/1028765102.db2.gz ZRZJIJIZFINSIX-AZUAARDMSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)[nH+]c12 ZINC000524012221 1028778167 /nfs/dbraw/zinc/77/81/67/1028778167.db2.gz MCBNBAMTQMATQX-DLBZAZTESA-N 1 2 327.472 3.906 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454328010 1028779370 /nfs/dbraw/zinc/77/93/70/1028779370.db2.gz RCWGRAXTHMHWFG-IRXDYDNUSA-N 1 2 344.503 3.566 20 0 EHADLO CC(C)(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000454328389 1028779407 /nfs/dbraw/zinc/77/94/07/1028779407.db2.gz HMUWUSRHSVJJGL-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(N[C@@H]1CC=CCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247412663 1028788763 /nfs/dbraw/zinc/78/87/63/1028788763.db2.gz JPEZDIHFPMFEAB-QRQLOZEOSA-N 1 2 336.439 3.520 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)cs1 ZINC000245545872 1028805342 /nfs/dbraw/zinc/80/53/42/1028805342.db2.gz VWNDGTROELAYKX-GJZGRUSLSA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)cs1 ZINC000245545872 1028805366 /nfs/dbraw/zinc/80/53/66/1028805366.db2.gz VWNDGTROELAYKX-GJZGRUSLSA-N 1 2 334.485 3.624 20 0 EHADLO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)c1nnc2ccccn21 ZINC000421824248 1028812328 /nfs/dbraw/zinc/81/23/28/1028812328.db2.gz HRWYMCSLKZLFHL-SWLSCSKDSA-N 1 2 329.835 3.970 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2scnc2C)cs1 ZINC000075887874 1028814450 /nfs/dbraw/zinc/81/44/50/1028814450.db2.gz MJNSVMPLQXHWJX-GFCCVEGCSA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2scnc2C)cs1 ZINC000075887874 1028814469 /nfs/dbraw/zinc/81/44/69/1028814469.db2.gz MJNSVMPLQXHWJX-GFCCVEGCSA-N 1 2 325.503 3.680 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000685079571 1028833057 /nfs/dbraw/zinc/83/30/57/1028833057.db2.gz WENSXYLVYWMBJM-KRWDZBQOSA-N 1 2 338.411 3.958 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)s1 ZINC000424196992 1028881867 /nfs/dbraw/zinc/88/18/67/1028881867.db2.gz HAKFWZMLXZEHTR-LBPRGKRZSA-N 1 2 343.452 3.879 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000524121198 1028890343 /nfs/dbraw/zinc/89/03/43/1028890343.db2.gz MHIBSBDRWUJTHX-QZTJIDSGSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1cc(CNC(=O)CCC(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421921590 1028938166 /nfs/dbraw/zinc/93/81/66/1028938166.db2.gz POMBKERJSLLXBL-UHFFFAOYSA-N 1 2 330.815 3.631 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000504824608 1028943836 /nfs/dbraw/zinc/94/38/36/1028943836.db2.gz DCICFKQFQIRCEW-UHFFFAOYSA-N 1 2 343.496 3.841 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000504824608 1028943839 /nfs/dbraw/zinc/94/38/39/1028943839.db2.gz DCICFKQFQIRCEW-UHFFFAOYSA-N 1 2 343.496 3.841 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H](Nc3ccccc3OCCn3cc[nH+]c3)C[C@H]2C1 ZINC000424281573 1028953682 /nfs/dbraw/zinc/95/36/82/1028953682.db2.gz NQLOIPZHVSRCFE-USTZCAOPSA-N 1 2 341.455 3.578 20 0 EHADLO COCc1csc(CNc2nc(N(C)C)c3ccccc3[nH+]2)c1 ZINC000664384390 1028972929 /nfs/dbraw/zinc/97/29/29/1028972929.db2.gz JDDCUJGRPZSHRI-UHFFFAOYSA-N 1 2 328.441 3.516 20 0 EHADLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000154114091 1029011847 /nfs/dbraw/zinc/01/18/47/1029011847.db2.gz OLYOLOHUSQIRKX-WMLDXEAASA-N 1 2 344.434 3.530 20 0 EHADLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000154114091 1029011865 /nfs/dbraw/zinc/01/18/65/1029011865.db2.gz OLYOLOHUSQIRKX-WMLDXEAASA-N 1 2 344.434 3.530 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179163146 1029020763 /nfs/dbraw/zinc/02/07/63/1029020763.db2.gz FOIASYILEKFZHP-JLHYYAGUSA-N 1 2 325.799 3.707 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000532904098 1029021151 /nfs/dbraw/zinc/02/11/51/1029021151.db2.gz CQEBFDIBNCVFBJ-UHFFFAOYSA-N 1 2 349.478 3.863 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000532904098 1029021160 /nfs/dbraw/zinc/02/11/60/1029021160.db2.gz CQEBFDIBNCVFBJ-UHFFFAOYSA-N 1 2 349.478 3.863 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000076716980 1029035801 /nfs/dbraw/zinc/03/58/01/1029035801.db2.gz RQUUDXKPXCFOSV-PBHICJAKSA-N 1 2 345.443 3.903 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000076716980 1029035814 /nfs/dbraw/zinc/03/58/14/1029035814.db2.gz RQUUDXKPXCFOSV-PBHICJAKSA-N 1 2 345.443 3.903 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000076731413 1029038972 /nfs/dbraw/zinc/03/89/72/1029038972.db2.gz IJDHYSFIODFNOA-CYBMUJFWSA-N 1 2 333.407 3.718 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000076731413 1029038982 /nfs/dbraw/zinc/03/89/82/1029038982.db2.gz IJDHYSFIODFNOA-CYBMUJFWSA-N 1 2 333.407 3.718 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)cc1 ZINC000524313865 1029077214 /nfs/dbraw/zinc/07/72/14/1029077214.db2.gz RKWDSHBAPLFUQI-SFHVURJKSA-N 1 2 346.515 3.802 20 0 EHADLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000583166363 1029081883 /nfs/dbraw/zinc/08/18/83/1029081883.db2.gz NYUYVXZPLYDLDO-QRTARXTBSA-N 1 2 343.858 3.947 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)C2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000459389037 1029110354 /nfs/dbraw/zinc/11/03/54/1029110354.db2.gz QCSIMVCFBVHKHK-OAHLLOKOSA-N 1 2 345.487 3.732 20 0 EHADLO COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3cccs3)c3nnc[nH]3)C2)c1 ZINC000583185715 1029141053 /nfs/dbraw/zinc/14/10/53/1029141053.db2.gz GPIWVSYKLYRDPP-CKEIUWERSA-N 1 2 340.452 3.500 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cnc2ccccc2c1 ZINC000431525510 1029153153 /nfs/dbraw/zinc/15/31/53/1029153153.db2.gz PXBKKHLBPDIUTP-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179226941 1029158422 /nfs/dbraw/zinc/15/84/22/1029158422.db2.gz UHBMDXSYQXHCOF-WYMLVPIESA-N 1 2 329.831 3.804 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000271796137 1029174418 /nfs/dbraw/zinc/17/44/18/1029174418.db2.gz KBTWDIIBCWDQPB-LJQANCHMSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OC)cn1 ZINC000271796137 1029174424 /nfs/dbraw/zinc/17/44/24/1029174424.db2.gz KBTWDIIBCWDQPB-LJQANCHMSA-N 1 2 336.439 3.797 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000424638561 1029199363 /nfs/dbraw/zinc/19/93/63/1029199363.db2.gz KJCSTNIZEZBMBK-AEFFLSMTSA-N 1 2 325.456 3.693 20 0 EHADLO Cc1ccc(OC(F)F)c(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454689740 1029204598 /nfs/dbraw/zinc/20/45/98/1029204598.db2.gz WMCYAXYOMBQOMG-UHFFFAOYSA-N 1 2 349.381 3.608 20 0 EHADLO C[C@H](C[N@@H+]1CCC[C@H]1c1nncn1C)c1cccc(Br)c1 ZINC000245744318 1029228325 /nfs/dbraw/zinc/22/83/25/1029228325.db2.gz MLVYPCFBMXDESJ-DOMZBBRYSA-N 1 2 349.276 3.518 20 0 EHADLO C[C@H](C[N@H+]1CCC[C@H]1c1nncn1C)c1cccc(Br)c1 ZINC000245744318 1029228340 /nfs/dbraw/zinc/22/83/40/1029228340.db2.gz MLVYPCFBMXDESJ-DOMZBBRYSA-N 1 2 349.276 3.518 20 0 EHADLO CCCc1ccc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000505106587 1029246389 /nfs/dbraw/zinc/24/63/89/1029246389.db2.gz BBRACAACNCJZIU-QFBILLFUSA-N 1 2 342.487 3.921 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1OCC(F)(F)F ZINC000245761037 1029258094 /nfs/dbraw/zinc/25/80/94/1029258094.db2.gz PTGZWRSEZHJAQK-CHWSQXEVSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1OCC(F)(F)F ZINC000245761037 1029258115 /nfs/dbraw/zinc/25/81/15/1029258115.db2.gz PTGZWRSEZHJAQK-CHWSQXEVSA-N 1 2 347.377 3.636 20 0 EHADLO CC[C@@H]1CCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000533084428 1029263131 /nfs/dbraw/zinc/26/31/31/1029263131.db2.gz OWCYSCKPYRWZAB-MJGOQNOKSA-N 1 2 340.471 3.825 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ncc(Cc2ccccc2F)s1 ZINC000424721716 1029273179 /nfs/dbraw/zinc/27/31/79/1029273179.db2.gz MNUNRSGDRNTKEY-UHFFFAOYSA-N 1 2 330.432 3.684 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1C ZINC000114494880 1029291232 /nfs/dbraw/zinc/29/12/32/1029291232.db2.gz UGLOULOACOKBNS-HXUWFJFHSA-N 1 2 328.456 3.839 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1C ZINC000114494880 1029291242 /nfs/dbraw/zinc/29/12/42/1029291242.db2.gz UGLOULOACOKBNS-HXUWFJFHSA-N 1 2 328.456 3.839 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000424729551 1029301097 /nfs/dbraw/zinc/30/10/97/1029301097.db2.gz CZACCPYVRABBBR-INIZCTEOSA-N 1 2 337.467 3.701 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000505149260 1029304827 /nfs/dbraw/zinc/30/48/27/1029304827.db2.gz RVXDPAQCKKZJMD-JTDSTZFVSA-N 1 2 337.467 3.594 20 0 EHADLO O=C(CC1CSC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000632769914 1029333107 /nfs/dbraw/zinc/33/31/07/1029333107.db2.gz JBOVRXKESRNUFA-UHFFFAOYSA-N 1 2 327.453 3.578 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000272157660 1029337197 /nfs/dbraw/zinc/33/71/97/1029337197.db2.gz AAIBEQFZLKZDMK-LJQANCHMSA-N 1 2 346.434 3.505 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCC(C(C)(C)C)CC1 ZINC000272160207 1029337896 /nfs/dbraw/zinc/33/78/96/1029337896.db2.gz ARJZKCVXXLERLD-UHFFFAOYSA-N 1 2 340.471 3.944 20 0 EHADLO CCCC1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000524597296 1029351993 /nfs/dbraw/zinc/35/19/93/1029351993.db2.gz RZZHEUIVEHABOP-UHFFFAOYSA-N 1 2 332.492 3.932 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255282604 1029364784 /nfs/dbraw/zinc/36/47/84/1029364784.db2.gz UKUVVBOTYKYCIT-YVMONPNESA-N 1 2 345.446 3.639 20 0 EHADLO Cc1nc([C@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)cs1 ZINC000455581999 1029367654 /nfs/dbraw/zinc/36/76/54/1029367654.db2.gz YUPQHIXWNROUGK-MRXNPFEDSA-N 1 2 330.457 3.510 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000446082127 1029375805 /nfs/dbraw/zinc/37/58/05/1029375805.db2.gz XRFMCZIROFGFLM-UHFFFAOYSA-N 1 2 349.459 3.954 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000446082127 1029375821 /nfs/dbraw/zinc/37/58/21/1029375821.db2.gz XRFMCZIROFGFLM-UHFFFAOYSA-N 1 2 349.459 3.954 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000255955358 1029388428 /nfs/dbraw/zinc/38/84/28/1029388428.db2.gz YXKUVALXIQQQCF-NWDGAFQWSA-N 1 2 347.871 3.527 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000255955358 1029388440 /nfs/dbraw/zinc/38/84/40/1029388440.db2.gz YXKUVALXIQQQCF-NWDGAFQWSA-N 1 2 347.871 3.527 20 0 EHADLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000524648001 1029405042 /nfs/dbraw/zinc/40/50/42/1029405042.db2.gz QPUWUFWNFAFHRT-GJZGRUSLSA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000524648001 1029405054 /nfs/dbraw/zinc/40/50/54/1029405054.db2.gz QPUWUFWNFAFHRT-GJZGRUSLSA-N 1 2 335.394 3.706 20 0 EHADLO Brc1ccc2cc(-c3noc(C[NH+]4CCC4)n3)ccc2c1 ZINC001212095578 1029405831 /nfs/dbraw/zinc/40/58/31/1029405831.db2.gz OGVRLRRKBZCRDW-UHFFFAOYSA-N 1 2 344.212 3.858 20 0 EHADLO Fc1ccc(Oc2ccc(-c3noc(C[NH+]4CCC4)n3)cc2)cc1 ZINC001212095512 1029406414 /nfs/dbraw/zinc/40/64/14/1029406414.db2.gz LFPZCJRCJNCWGY-UHFFFAOYSA-N 1 2 325.343 3.874 20 0 EHADLO COc1cccc2c(NCc3ccnc(OC(F)F)c3)cc[nH+]c12 ZINC000343140529 1029428090 /nfs/dbraw/zinc/42/80/90/1029428090.db2.gz JGEFVYHLRVXPFB-UHFFFAOYSA-N 1 2 331.322 3.852 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C)[nH]1 ZINC000261370683 1029439964 /nfs/dbraw/zinc/43/99/64/1029439964.db2.gz AALFECVFPHCYLT-UHFFFAOYSA-N 1 2 340.345 3.845 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C)[nH]1 ZINC000261370683 1029439974 /nfs/dbraw/zinc/43/99/74/1029439974.db2.gz AALFECVFPHCYLT-UHFFFAOYSA-N 1 2 340.345 3.845 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)ccc2[nH+]1 ZINC000446157023 1029455808 /nfs/dbraw/zinc/45/58/08/1029455808.db2.gz PBRFNLWZLBAXLA-LBPRGKRZSA-N 1 2 328.338 3.741 20 0 EHADLO COc1cc(Br)c(C[NH2+]C2(c3ccccc3)CC2)cc1O ZINC000272428470 1029456760 /nfs/dbraw/zinc/45/67/60/1029456760.db2.gz MYUXDSBDTQJGAR-UHFFFAOYSA-N 1 2 348.240 3.942 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2cc3cc(Br)ccc3o2)[nH]1 ZINC000583274112 1029515867 /nfs/dbraw/zinc/51/58/67/1029515867.db2.gz NPTJMOGMDUZUEP-SECBINFHSA-N 1 2 349.232 3.727 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ccc(Cl)cc2)no1 ZINC000245959165 1029517484 /nfs/dbraw/zinc/51/74/84/1029517484.db2.gz XUYFQVHPLCWUML-OXUXUCFPSA-N 1 2 335.835 3.666 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000524811151 1029529258 /nfs/dbraw/zinc/52/92/58/1029529258.db2.gz BPALQHABQQSTJM-PBHICJAKSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000524811151 1029529266 /nfs/dbraw/zinc/52/92/66/1029529266.db2.gz BPALQHABQQSTJM-PBHICJAKSA-N 1 2 339.863 3.835 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000533251485 1029530098 /nfs/dbraw/zinc/53/00/98/1029530098.db2.gz AMSFZMXSCLUZKX-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000533251485 1029530109 /nfs/dbraw/zinc/53/01/09/1029530109.db2.gz AMSFZMXSCLUZKX-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609118 1029532539 /nfs/dbraw/zinc/53/25/39/1029532539.db2.gz QPXZWHRALRAAEM-HIFRSBDPSA-N 1 2 344.484 3.862 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000272609118 1029532547 /nfs/dbraw/zinc/53/25/47/1029532547.db2.gz QPXZWHRALRAAEM-HIFRSBDPSA-N 1 2 344.484 3.862 20 0 EHADLO Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1CO ZINC001211572836 1029559745 /nfs/dbraw/zinc/55/97/45/1029559745.db2.gz MMRAASAKJBBRMT-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO CCCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC1 ZINC000583294086 1029586857 /nfs/dbraw/zinc/58/68/57/1029586857.db2.gz NINAFVLTRDVXSQ-FQEVSTJZSA-N 1 2 339.483 3.949 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1Cl ZINC000343185961 1029667190 /nfs/dbraw/zinc/66/71/90/1029667190.db2.gz BDGSOGRXBAMFOL-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1CC(C)C ZINC000162527924 1029740125 /nfs/dbraw/zinc/74/01/25/1029740125.db2.gz FSYUGMUZLJAHBH-UHFFFAOYSA-N 1 2 337.427 3.540 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000525270765 1029765022 /nfs/dbraw/zinc/76/50/22/1029765022.db2.gz AEHGLAQJGQISOQ-JKSUJKDBSA-N 1 2 342.508 3.723 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000525270765 1029765028 /nfs/dbraw/zinc/76/50/28/1029765028.db2.gz AEHGLAQJGQISOQ-JKSUJKDBSA-N 1 2 342.508 3.723 20 0 EHADLO OC[C@]1(CNc2cc(C(F)(F)F)cc[nH+]2)C[C@H]1c1ccc(F)cc1 ZINC000343218511 1029788623 /nfs/dbraw/zinc/78/86/23/1029788623.db2.gz SZOWOGABUBFOED-GOEBONIOSA-N 1 2 340.320 3.818 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000583426350 1029811658 /nfs/dbraw/zinc/81/16/58/1029811658.db2.gz UUZCWSBXSMLOLH-QGZVFWFLSA-N 1 2 346.862 3.553 20 0 EHADLO COc1ccc(-c2nnc(SCc3cc(OC)cc(C)[nH+]3)o2)cc1 ZINC000533806120 1029856003 /nfs/dbraw/zinc/85/60/03/1029856003.db2.gz HMPPMKPMEHQACQ-UHFFFAOYSA-N 1 2 343.408 3.750 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1C(C)C)CC2 ZINC000098143543 1029860797 /nfs/dbraw/zinc/86/07/97/1029860797.db2.gz CFTFFJGXKGFQRF-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1C(C)C)CC2 ZINC000098143543 1029860803 /nfs/dbraw/zinc/86/08/03/1029860803.db2.gz CFTFFJGXKGFQRF-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000446955026 1029864561 /nfs/dbraw/zinc/86/45/61/1029864561.db2.gz WHPBWJPYLOZIHY-UONOGXRCSA-N 1 2 336.505 3.639 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000446955026 1029864566 /nfs/dbraw/zinc/86/45/66/1029864566.db2.gz WHPBWJPYLOZIHY-UONOGXRCSA-N 1 2 336.505 3.639 20 0 EHADLO CC(C)O[C@@H](C[N@H+](C)CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000428463563 1029873547 /nfs/dbraw/zinc/87/35/47/1029873547.db2.gz RVOPWJIYIIMAPK-IBGZPJMESA-N 1 2 344.430 3.862 20 0 EHADLO CC(C)O[C@@H](C[N@@H+](C)CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000428463563 1029873554 /nfs/dbraw/zinc/87/35/54/1029873554.db2.gz RVOPWJIYIIMAPK-IBGZPJMESA-N 1 2 344.430 3.862 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)NCCNc1cccc[nH+]1 ZINC000525495226 1029875446 /nfs/dbraw/zinc/87/54/46/1029875446.db2.gz LJLCEGYWSGPIAT-UHFFFAOYSA-N 1 2 341.480 3.982 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C(F)(F)F ZINC000453200158 1029901663 /nfs/dbraw/zinc/90/16/63/1029901663.db2.gz LAFFGHSNYNITMR-GXFFZTMASA-N 1 2 331.769 3.951 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000343254428 1029916628 /nfs/dbraw/zinc/91/66/28/1029916628.db2.gz XNKFIGGDXIQCNK-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000455780459 1029928747 /nfs/dbraw/zinc/92/87/47/1029928747.db2.gz KFTRBKNSRNZGBS-UHFFFAOYSA-N 1 2 342.443 3.671 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000054566418 1029939957 /nfs/dbraw/zinc/93/99/57/1029939957.db2.gz ZLPLYMAKXQXLEC-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000054566418 1029939971 /nfs/dbraw/zinc/93/99/71/1029939971.db2.gz ZLPLYMAKXQXLEC-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(OC)c(Br)cc1Cl ZINC000657765068 1029941893 /nfs/dbraw/zinc/94/18/93/1029941893.db2.gz ZFPPWWAGDHFPMZ-UHFFFAOYSA-N 1 2 344.640 3.940 20 0 EHADLO CC(C)(CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CC1 ZINC000555937609 1029948173 /nfs/dbraw/zinc/94/81/73/1029948173.db2.gz GFUJEUCOYSHSOT-UHFFFAOYSA-N 1 2 329.488 3.905 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000127696856 1029959743 /nfs/dbraw/zinc/95/97/43/1029959743.db2.gz UHDMPLMJZHXNGK-UHFFFAOYSA-N 1 2 330.453 3.585 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000583508929 1029983939 /nfs/dbraw/zinc/98/39/39/1029983939.db2.gz YDRHFEWBJOJZQW-HZMBPMFUSA-N 1 2 335.860 3.595 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000583508929 1029983950 /nfs/dbraw/zinc/98/39/50/1029983950.db2.gz YDRHFEWBJOJZQW-HZMBPMFUSA-N 1 2 335.860 3.595 20 0 EHADLO Cc1nc2ccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2o1 ZINC000360936963 1030015250 /nfs/dbraw/zinc/01/52/50/1030015250.db2.gz WAXVINCKAQBYEI-UHFFFAOYSA-N 1 2 347.378 3.644 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453291322 1030036185 /nfs/dbraw/zinc/03/61/85/1030036185.db2.gz PCCAHCJTCLOYEV-ZDUSSCGKSA-N 1 2 343.862 3.901 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)CC2 ZINC000531943289 1030061677 /nfs/dbraw/zinc/06/16/77/1030061677.db2.gz MUFQRHYWODGHGX-UXHICEINSA-N 1 2 333.435 3.795 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(CC(F)(F)F)c1 ZINC000525741159 1030070388 /nfs/dbraw/zinc/07/03/88/1030070388.db2.gz NCGJYIREVOJZHE-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000583542411 1030082171 /nfs/dbraw/zinc/08/21/71/1030082171.db2.gz RTSLJYQGEPZDAL-HNNXBMFYSA-N 1 2 338.238 3.633 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631354 1030089577 /nfs/dbraw/zinc/08/95/77/1030089577.db2.gz LNCDPHFGIDXMDV-ZIAGYGMSSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1)C(F)(F)F ZINC000537631354 1030089586 /nfs/dbraw/zinc/08/95/86/1030089586.db2.gz LNCDPHFGIDXMDV-ZIAGYGMSSA-N 1 2 342.386 3.698 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000343287524 1030095744 /nfs/dbraw/zinc/09/57/44/1030095744.db2.gz BBBFHOBQVPFMMX-PBHICJAKSA-N 1 2 331.847 3.612 20 0 EHADLO CCCOc1cc(C)ccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000447380516 1030149440 /nfs/dbraw/zinc/14/94/40/1030149440.db2.gz DYIFYWAHKCJZIJ-HXUWFJFHSA-N 1 2 340.467 3.703 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121010019 1030156574 /nfs/dbraw/zinc/15/65/74/1030156574.db2.gz QMGQRGZSMHGGPN-OXQOHEQNSA-N 1 2 338.451 3.818 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121009688 1030157626 /nfs/dbraw/zinc/15/76/26/1030157626.db2.gz QMGQRGZSMHGGPN-UZLBHIALSA-N 1 2 338.451 3.818 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000453365654 1030178713 /nfs/dbraw/zinc/17/87/13/1030178713.db2.gz SPEDESLSIMAGGZ-MJVIPROJSA-N 1 2 335.835 3.910 20 0 EHADLO C[C@H](c1ccccn1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000128495936 1030192239 /nfs/dbraw/zinc/19/22/39/1030192239.db2.gz ORQPIVHDAYTIEF-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000052458063 1030230279 /nfs/dbraw/zinc/23/02/79/1030230279.db2.gz ZQPSOXSHAVCWAT-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000052458063 1030230297 /nfs/dbraw/zinc/23/02/97/1030230297.db2.gz ZQPSOXSHAVCWAT-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000121449512 1030273271 /nfs/dbraw/zinc/27/32/71/1030273271.db2.gz NYQJBXFWGMVLJW-JKSUJKDBSA-N 1 2 343.496 3.898 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OCCO)c1 ZINC000447568043 1030284403 /nfs/dbraw/zinc/28/44/03/1030284403.db2.gz GYIOXEGZVHIAEK-MRXNPFEDSA-N 1 2 337.423 3.725 20 0 EHADLO COC(=O)c1coc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000447574412 1030295110 /nfs/dbraw/zinc/29/51/10/1030295110.db2.gz MZWITCQFVTYNTF-ZDUSSCGKSA-N 1 2 329.400 3.625 20 0 EHADLO Cc1cccc2[nH]c(C[NH+]3CCN([C@@H](C)c4nccs4)CC3)cc21 ZINC000667994742 1030300561 /nfs/dbraw/zinc/30/05/61/1030300561.db2.gz NMEHIUVBVNCESE-HNNXBMFYSA-N 1 2 340.496 3.812 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)cc1 ZINC000343335191 1030335031 /nfs/dbraw/zinc/33/50/31/1030335031.db2.gz CIZVEGRHSZDDPX-QGZVFWFLSA-N 1 2 338.386 3.598 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000091930613 1030336784 /nfs/dbraw/zinc/33/67/84/1030336784.db2.gz VSBOMKJPRIVBMS-UHFFFAOYSA-N 1 2 328.847 3.805 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000091930613 1030336794 /nfs/dbraw/zinc/33/67/94/1030336794.db2.gz VSBOMKJPRIVBMS-UHFFFAOYSA-N 1 2 328.847 3.805 20 0 EHADLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2CC)ccc1OCC(F)(F)F ZINC000091981369 1030347158 /nfs/dbraw/zinc/34/71/58/1030347158.db2.gz DIEAAOOEUARJHM-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCOC[C@@H]2CC)ccc1OCC(F)(F)F ZINC000091981369 1030347170 /nfs/dbraw/zinc/34/71/70/1030347170.db2.gz DIEAAOOEUARJHM-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO Cc1oc2nc(C[N@@H+]3Cc4sccc4CC3(C)C)nc(N)c2c1C ZINC000516956061 1030358222 /nfs/dbraw/zinc/35/82/22/1030358222.db2.gz MTXCGRPKXIBXDT-UHFFFAOYSA-N 1 2 342.468 3.820 20 0 EHADLO Cc1oc2nc(C[N@H+]3Cc4sccc4CC3(C)C)nc(N)c2c1C ZINC000516956061 1030358240 /nfs/dbraw/zinc/35/82/40/1030358240.db2.gz MTXCGRPKXIBXDT-UHFFFAOYSA-N 1 2 342.468 3.820 20 0 EHADLO Cc1cc(NCc2nn(-c3ccccc3)c3c2CCC3)nc(C(C)C)[nH+]1 ZINC000532114552 1030386986 /nfs/dbraw/zinc/38/69/86/1030386986.db2.gz ATQQAXVRWCJHHA-UHFFFAOYSA-N 1 2 347.466 3.617 20 0 EHADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000453625158 1030402115 /nfs/dbraw/zinc/40/21/15/1030402115.db2.gz QVNFKRDCSMKDME-UHFFFAOYSA-N 1 2 342.493 3.999 20 0 EHADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000453625158 1030402131 /nfs/dbraw/zinc/40/21/31/1030402131.db2.gz QVNFKRDCSMKDME-UHFFFAOYSA-N 1 2 342.493 3.999 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000526087609 1030410800 /nfs/dbraw/zinc/41/08/00/1030410800.db2.gz PIMZTHRPXKRNET-GFCCVEGCSA-N 1 2 338.329 3.545 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2F)C[C@]2(CCCOC2)O1 ZINC000482432955 1030413005 /nfs/dbraw/zinc/41/30/05/1030413005.db2.gz BYEOYGNVTTYTBE-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@]2(CCCOC2)O1 ZINC000482432955 1030413018 /nfs/dbraw/zinc/41/30/18/1030413018.db2.gz BYEOYGNVTTYTBE-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000447691522 1030425465 /nfs/dbraw/zinc/42/54/65/1030425465.db2.gz SHKJMRKGWJBETL-JOCHJYFZSA-N 1 2 345.446 3.985 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000447691523 1030426649 /nfs/dbraw/zinc/42/66/49/1030426649.db2.gz SHKJMRKGWJBETL-QFIPXVFZSA-N 1 2 345.446 3.985 20 0 EHADLO CCc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2F)on1 ZINC000526106873 1030427808 /nfs/dbraw/zinc/42/78/08/1030427808.db2.gz XLMCLPOXLAIRDP-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1sccc1C ZINC000532152880 1030439274 /nfs/dbraw/zinc/43/92/74/1030439274.db2.gz CFFHGGUVAZCZEM-AWEZNQCLSA-N 1 2 334.510 3.744 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1sccc1C ZINC000532152880 1030439287 /nfs/dbraw/zinc/43/92/87/1030439287.db2.gz CFFHGGUVAZCZEM-AWEZNQCLSA-N 1 2 334.510 3.744 20 0 EHADLO Cc1c2ccccc2oc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343352898 1030449538 /nfs/dbraw/zinc/44/95/38/1030449538.db2.gz JBPBIHWDYOPMCF-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3cc[nH]c3c2)c1C ZINC000194316289 1030450951 /nfs/dbraw/zinc/45/09/51/1030450951.db2.gz PFRYPSPNUAMMRB-UHFFFAOYSA-N 1 2 338.411 3.852 20 0 EHADLO Cc1cc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc[nH+]1 ZINC000092447770 1030455786 /nfs/dbraw/zinc/45/57/86/1030455786.db2.gz ZWGVBSCOMYSKQQ-UHFFFAOYSA-N 1 2 333.391 3.545 20 0 EHADLO C[C@H](CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)n1cc[nH+]c1 ZINC000567991469 1030489999 /nfs/dbraw/zinc/48/99/99/1030489999.db2.gz UUIGPNNSGVOZFN-OTYXRUKQSA-N 1 2 347.287 3.532 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)CCO2)c1 ZINC000092595046 1030490952 /nfs/dbraw/zinc/49/09/52/1030490952.db2.gz WSJAINNEGITKMW-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)CCO2)c1 ZINC000092595046 1030490959 /nfs/dbraw/zinc/49/09/59/1030490959.db2.gz WSJAINNEGITKMW-HNNXBMFYSA-N 1 2 343.477 3.840 20 0 EHADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000526954302 1030504032 /nfs/dbraw/zinc/50/40/32/1030504032.db2.gz QENWWNCRRCLUQP-GHMZBOCLSA-N 1 2 325.334 3.722 20 0 EHADLO CCN(CCCOc1ccccc1-n1cc[nH+]c1)CC(F)(F)F ZINC000526961908 1030521239 /nfs/dbraw/zinc/52/12/39/1030521239.db2.gz JAFUYCHTIHYYMO-UHFFFAOYSA-N 1 2 327.350 3.525 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc3c1OCCC3)C2 ZINC000527000834 1030535385 /nfs/dbraw/zinc/53/53/85/1030535385.db2.gz VVDBRVPQWOVFJG-AWEZNQCLSA-N 1 2 339.439 3.602 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc3c1OCCC3)CC2 ZINC000527000834 1030535392 /nfs/dbraw/zinc/53/53/92/1030535392.db2.gz VVDBRVPQWOVFJG-AWEZNQCLSA-N 1 2 339.439 3.602 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1F ZINC000532313306 1030536719 /nfs/dbraw/zinc/53/67/19/1030536719.db2.gz MSNXTUPDLNHUIK-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc1F ZINC000532313306 1030536727 /nfs/dbraw/zinc/53/67/27/1030536727.db2.gz MSNXTUPDLNHUIK-LBPRGKRZSA-N 1 2 331.362 3.871 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1Cl ZINC000343371287 1030540134 /nfs/dbraw/zinc/54/01/34/1030540134.db2.gz UYOKXQMVIUTKCT-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1O)C1CC[NH+](C2CC2)CC1 ZINC000278389864 1030555455 /nfs/dbraw/zinc/55/54/55/1030555455.db2.gz ABQONGRYYSAWNA-UHFFFAOYSA-N 1 2 329.227 3.512 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)s2)[C@H]1[C@H]1CCCO1 ZINC000583721499 1030560520 /nfs/dbraw/zinc/56/05/20/1030560520.db2.gz BJKJTIFSSUEVLZ-YPMHNXCESA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)s2)[C@H]1[C@H]1CCCO1 ZINC000583721499 1030560535 /nfs/dbraw/zinc/56/05/35/1030560535.db2.gz BJKJTIFSSUEVLZ-YPMHNXCESA-N 1 2 330.291 3.900 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000093222351 1030574740 /nfs/dbraw/zinc/57/47/40/1030574740.db2.gz VSLZXVZBHWIUMT-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000093222351 1030574750 /nfs/dbraw/zinc/57/47/50/1030574750.db2.gz VSLZXVZBHWIUMT-OAQYLSRUSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236199 1030577055 /nfs/dbraw/zinc/57/70/55/1030577055.db2.gz KMTDWCHBHKBDCQ-OXJNMPFZSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236199 1030577068 /nfs/dbraw/zinc/57/70/68/1030577068.db2.gz KMTDWCHBHKBDCQ-OXJNMPFZSA-N 1 2 325.456 3.588 20 0 EHADLO Cc1ccc(/C=C/CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343379839 1030580989 /nfs/dbraw/zinc/58/09/89/1030580989.db2.gz WOXUYWFRUZAODT-NSCUHMNNSA-N 1 2 332.407 3.677 20 0 EHADLO COC1CCC(C[NH2+]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000892352996 1030593113 /nfs/dbraw/zinc/59/31/13/1030593113.db2.gz RRDIAPWAQOPWCR-VPRUJKLYSA-N 1 2 332.488 3.917 20 0 EHADLO C[N@H+](Cc1cc2ccccc2s1)Cc1nc(-c2cccnc2)no1 ZINC000093365358 1030593794 /nfs/dbraw/zinc/59/37/94/1030593794.db2.gz ORRJYDUYXMHIEQ-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2s1)Cc1nc(-c2cccnc2)no1 ZINC000093365358 1030593803 /nfs/dbraw/zinc/59/38/03/1030593803.db2.gz ORRJYDUYXMHIEQ-UHFFFAOYSA-N 1 2 336.420 3.978 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000093415376 1030610147 /nfs/dbraw/zinc/61/01/47/1030610147.db2.gz PXMODMMRTJNBSV-KRWDZBQOSA-N 1 2 335.831 3.523 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000093415376 1030610154 /nfs/dbraw/zinc/61/01/54/1030610154.db2.gz PXMODMMRTJNBSV-KRWDZBQOSA-N 1 2 335.831 3.523 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cccc(Br)n1)c1ccc(C)o1 ZINC000925203481 1030616285 /nfs/dbraw/zinc/61/62/85/1030616285.db2.gz IDIVFYYRERSGCO-DGCLKSJQSA-N 1 2 339.233 3.784 20 0 EHADLO COc1cc(F)c(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1OC ZINC000568033102 1030620880 /nfs/dbraw/zinc/62/08/80/1030620880.db2.gz BGARDFPVCUZWES-JTQLQIEISA-N 1 2 336.432 3.639 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2C1 ZINC000024152208 1030633151 /nfs/dbraw/zinc/63/31/51/1030633151.db2.gz RXTYJPCWGHZELO-SNVBAGLBSA-N 1 2 347.509 3.570 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2C1 ZINC000024152208 1030633159 /nfs/dbraw/zinc/63/31/59/1030633159.db2.gz RXTYJPCWGHZELO-SNVBAGLBSA-N 1 2 347.509 3.570 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1OC ZINC000093660691 1030647079 /nfs/dbraw/zinc/64/70/79/1030647079.db2.gz BHDAWSILUALNIE-YJBOKZPZSA-N 1 2 327.424 3.666 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1OC ZINC000093660691 1030647090 /nfs/dbraw/zinc/64/70/90/1030647090.db2.gz BHDAWSILUALNIE-YJBOKZPZSA-N 1 2 327.424 3.666 20 0 EHADLO Cn1nccc1[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000448025965 1030657688 /nfs/dbraw/zinc/65/76/88/1030657688.db2.gz GMXCDQFGIVORNB-IRXDYDNUSA-N 1 2 339.487 3.944 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](C)O[C@H](c4ccsc4)C3)c[nH+]c12 ZINC000093768982 1030670736 /nfs/dbraw/zinc/67/07/36/1030670736.db2.gz QUJVAJYHADETMB-PBHICJAKSA-N 1 2 327.453 3.666 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555750 1030689135 /nfs/dbraw/zinc/68/91/35/1030689135.db2.gz CCUPSOHQNWNKCH-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064555750 1030689138 /nfs/dbraw/zinc/68/91/38/1030689138.db2.gz CCUPSOHQNWNKCH-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC4(CCCC4)OC(C)(C)C3)ccc2[nH+]1 ZINC000527206691 1030708062 /nfs/dbraw/zinc/70/80/62/1030708062.db2.gz BGVGPCOXPQHGJG-UHFFFAOYSA-N 1 2 342.443 3.598 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000482875246 1030774572 /nfs/dbraw/zinc/77/45/72/1030774572.db2.gz CPIAYFJWDZOEME-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO CCOc1ccc(OC)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171532174 1030790623 /nfs/dbraw/zinc/79/06/23/1030790623.db2.gz JZVMQTWFJLBCPG-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161888496 1030798344 /nfs/dbraw/zinc/79/83/44/1030798344.db2.gz QCVSWGDITOQZCV-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161888496 1030798351 /nfs/dbraw/zinc/79/83/51/1030798351.db2.gz QCVSWGDITOQZCV-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)s1 ZINC000122965143 1030815498 /nfs/dbraw/zinc/81/54/98/1030815498.db2.gz ZFEPZUAGPZYUOJ-NSHDSACASA-N 1 2 333.848 3.536 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508624554 1030818027 /nfs/dbraw/zinc/81/80/27/1030818027.db2.gz FLYWYUDMOGYTBF-FCEWJHQRSA-N 1 2 348.487 3.546 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508624554 1030818046 /nfs/dbraw/zinc/81/80/46/1030818046.db2.gz FLYWYUDMOGYTBF-FCEWJHQRSA-N 1 2 348.487 3.546 20 0 EHADLO Cn1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(C(C)(C)C)n1 ZINC000550960913 1030837567 /nfs/dbraw/zinc/83/75/67/1030837567.db2.gz RSBFYQUZSNKVHC-UHFFFAOYSA-N 1 2 342.365 3.666 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCSC[C@H]1c1ccccc1 ZINC000172150614 1030840390 /nfs/dbraw/zinc/84/03/90/1030840390.db2.gz BGPCIBKGXWJSEW-IBGZPJMESA-N 1 2 349.459 3.803 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1C ZINC000668172863 1030846475 /nfs/dbraw/zinc/84/64/75/1030846475.db2.gz VHRRDLKMZPEEJH-HNNXBMFYSA-N 1 2 349.276 3.830 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1C ZINC000668172863 1030846487 /nfs/dbraw/zinc/84/64/87/1030846487.db2.gz VHRRDLKMZPEEJH-HNNXBMFYSA-N 1 2 349.276 3.830 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033103 1030847329 /nfs/dbraw/zinc/84/73/29/1030847329.db2.gz KYYQMSJDZGHOFM-HNNXBMFYSA-N 1 2 330.432 3.520 20 0 EHADLO CC(=O)N[C@H](CC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(C)cc1 ZINC000097214021 1030906243 /nfs/dbraw/zinc/90/62/43/1030906243.db2.gz GGXZZNCACVJBNF-GOSISDBHSA-N 1 2 339.439 3.521 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000097270855 1030907837 /nfs/dbraw/zinc/90/78/37/1030907837.db2.gz DYSZLHXSNVJFJL-UHFFFAOYSA-N 1 2 338.407 3.846 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000097270855 1030907853 /nfs/dbraw/zinc/90/78/53/1030907853.db2.gz DYSZLHXSNVJFJL-UHFFFAOYSA-N 1 2 338.407 3.846 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000357981866 1030907970 /nfs/dbraw/zinc/90/79/70/1030907970.db2.gz GQAPIAKOPFZQMG-MLGOLLRUSA-N 1 2 334.851 3.660 20 0 EHADLO Oc1cc(F)cc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000278454264 1030919913 /nfs/dbraw/zinc/91/99/13/1030919913.db2.gz YMUYLCAIYVBHTP-UHFFFAOYSA-N 1 2 335.806 3.668 20 0 EHADLO CC(C)c1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000436087062 1030928688 /nfs/dbraw/zinc/92/86/88/1030928688.db2.gz ITNQNNUVFBRIKI-HNNXBMFYSA-N 1 2 326.444 3.955 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000436088965 1030930024 /nfs/dbraw/zinc/93/00/24/1030930024.db2.gz NAYUDMBUPKWHMK-NSHDSACASA-N 1 2 336.798 3.624 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000568184972 1030952588 /nfs/dbraw/zinc/95/25/88/1030952588.db2.gz OWDNYSXSEQJNCB-QGZVFWFLSA-N 1 2 347.462 3.927 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000568184972 1030952602 /nfs/dbraw/zinc/95/26/02/1030952602.db2.gz OWDNYSXSEQJNCB-QGZVFWFLSA-N 1 2 347.462 3.927 20 0 EHADLO Fc1ccc([C@@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000483100217 1030954317 /nfs/dbraw/zinc/95/43/17/1030954317.db2.gz RXJCBYPJFYVLTL-QGZVFWFLSA-N 1 2 337.398 3.789 20 0 EHADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000483100217 1030954335 /nfs/dbraw/zinc/95/43/35/1030954335.db2.gz RXJCBYPJFYVLTL-QGZVFWFLSA-N 1 2 337.398 3.789 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 ZINC000527535987 1030974833 /nfs/dbraw/zinc/97/48/33/1030974833.db2.gz ZBDIWKCNGRMWCA-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 ZINC000527535987 1030974851 /nfs/dbraw/zinc/97/48/51/1030974851.db2.gz ZBDIWKCNGRMWCA-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccccc1OC(F)(F)F ZINC000448369623 1031002166 /nfs/dbraw/zinc/00/21/66/1031002166.db2.gz ANCFGRTUMCECDF-UHFFFAOYSA-N 1 2 346.374 3.690 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccccc1OC(F)(F)F ZINC000448369623 1031002186 /nfs/dbraw/zinc/00/21/86/1031002186.db2.gz ANCFGRTUMCECDF-UHFFFAOYSA-N 1 2 346.374 3.690 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483254398 1031066891 /nfs/dbraw/zinc/06/68/91/1031066891.db2.gz GNCQJKXECKZIJV-UHFFFAOYSA-N 1 2 335.451 3.994 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483254398 1031066904 /nfs/dbraw/zinc/06/69/04/1031066904.db2.gz GNCQJKXECKZIJV-UHFFFAOYSA-N 1 2 335.451 3.994 20 0 EHADLO COc1cccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)c1OC ZINC000527642612 1031070534 /nfs/dbraw/zinc/07/05/34/1031070534.db2.gz VIYZOLQVQGRIGN-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000668226792 1031077532 /nfs/dbraw/zinc/07/75/32/1031077532.db2.gz TXTYXOWQNQXFBI-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000668226792 1031077546 /nfs/dbraw/zinc/07/75/46/1031077546.db2.gz TXTYXOWQNQXFBI-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278492219 1031096764 /nfs/dbraw/zinc/09/67/64/1031096764.db2.gz JQRPREFARSWRMJ-AWEZNQCLSA-N 1 2 325.387 3.993 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278492219 1031096782 /nfs/dbraw/zinc/09/67/82/1031096782.db2.gz JQRPREFARSWRMJ-AWEZNQCLSA-N 1 2 325.387 3.993 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)NCCCNc1cccc[nH+]1 ZINC000173585610 1031114371 /nfs/dbraw/zinc/11/43/71/1031114371.db2.gz VFEAXIFJXXMBGS-UHFFFAOYSA-N 1 2 344.484 3.736 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000158156540 1031126173 /nfs/dbraw/zinc/12/61/73/1031126173.db2.gz BZTLRBCSDXNXFB-RYUDHWBXSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000158156540 1031126181 /nfs/dbraw/zinc/12/61/81/1031126181.db2.gz BZTLRBCSDXNXFB-RYUDHWBXSA-N 1 2 338.167 3.509 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)cc(C(F)(F)F)c1 ZINC000527694315 1031126602 /nfs/dbraw/zinc/12/66/02/1031126602.db2.gz WIIBVYACEQRHHF-MRVPVSSYSA-N 1 2 331.363 3.725 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483363821 1031130535 /nfs/dbraw/zinc/13/05/35/1031130535.db2.gz AANRKWGDJRNUOH-IGCXYCKISA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483363821 1031130544 /nfs/dbraw/zinc/13/05/44/1031130544.db2.gz AANRKWGDJRNUOH-IGCXYCKISA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000173973792 1031141493 /nfs/dbraw/zinc/14/14/93/1031141493.db2.gz UKFWJLSXSHKZFY-INIZCTEOSA-N 1 2 349.434 3.651 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000483401883 1031141551 /nfs/dbraw/zinc/14/15/51/1031141551.db2.gz FIVSXECORJSDDU-LJQANCHMSA-N 1 2 348.368 3.706 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000483401883 1031141559 /nfs/dbraw/zinc/14/15/59/1031141559.db2.gz FIVSXECORJSDDU-LJQANCHMSA-N 1 2 348.368 3.706 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3c(C)nc4ccccn43)CCO2)cc1 ZINC000483431324 1031150164 /nfs/dbraw/zinc/15/01/64/1031150164.db2.gz BBXUPXHIRMPTOF-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3c(C)nc4ccccn43)CCO2)cc1 ZINC000483431324 1031150168 /nfs/dbraw/zinc/15/01/68/1031150168.db2.gz BBXUPXHIRMPTOF-HXUWFJFHSA-N 1 2 335.451 3.779 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000116443548 1031163141 /nfs/dbraw/zinc/16/31/41/1031163141.db2.gz BMLVXSZUUHLKLD-HNNXBMFYSA-N 1 2 337.398 3.821 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000483439008 1031172508 /nfs/dbraw/zinc/17/25/08/1031172508.db2.gz NHSBOUKSGCVZDA-NRFANRHFSA-N 1 2 339.435 3.594 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000483439008 1031172531 /nfs/dbraw/zinc/17/25/31/1031172531.db2.gz NHSBOUKSGCVZDA-NRFANRHFSA-N 1 2 339.435 3.594 20 0 EHADLO CCc1ncc(C[NH2+]Cc2ccc(Br)c(F)c2F)o1 ZINC000527720222 1031179981 /nfs/dbraw/zinc/17/99/81/1031179981.db2.gz WWWMERYFNIETIL-UHFFFAOYSA-N 1 2 331.160 3.568 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccco3)s2)s1 ZINC000278513451 1031180155 /nfs/dbraw/zinc/18/01/55/1031180155.db2.gz PDMDERGJLOGNBU-UHFFFAOYSA-N 1 2 334.470 3.842 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063125 1031228800 /nfs/dbraw/zinc/22/88/00/1031228800.db2.gz CXLJTILFZGNCLK-VXGBXAGGSA-N 1 2 349.397 3.590 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063125 1031228818 /nfs/dbraw/zinc/22/88/18/1031228818.db2.gz CXLJTILFZGNCLK-VXGBXAGGSA-N 1 2 349.397 3.590 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000428522811 1031245630 /nfs/dbraw/zinc/24/56/30/1031245630.db2.gz OFUVVHLNYLOYDM-LJQANCHMSA-N 1 2 346.434 3.808 20 0 EHADLO CC1(C)C(=O)NCc2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc21 ZINC001213091854 1031276593 /nfs/dbraw/zinc/27/65/93/1031276593.db2.gz OUQPCLMLLHMJFL-UHFFFAOYSA-N 1 2 332.407 3.728 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@H]1CC12CCCC2 ZINC000583977504 1031276682 /nfs/dbraw/zinc/27/66/82/1031276682.db2.gz WVIBODSJNAMHFS-INIZCTEOSA-N 1 2 344.846 3.658 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175141554 1031279033 /nfs/dbraw/zinc/27/90/33/1031279033.db2.gz KHIGEZLHYKKHLC-SFHVURJKSA-N 1 2 341.455 3.508 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175141554 1031279044 /nfs/dbraw/zinc/27/90/44/1031279044.db2.gz KHIGEZLHYKKHLC-SFHVURJKSA-N 1 2 341.455 3.508 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000175151827 1031281530 /nfs/dbraw/zinc/28/15/30/1031281530.db2.gz WPHSFOIMMLEDJI-OGHNNQOOSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000175151827 1031281544 /nfs/dbraw/zinc/28/15/44/1031281544.db2.gz WPHSFOIMMLEDJI-OGHNNQOOSA-N 1 2 333.407 3.889 20 0 EHADLO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527828772 1031293409 /nfs/dbraw/zinc/29/34/09/1031293409.db2.gz WXNCDMKVKLCADQ-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405070 1031295338 /nfs/dbraw/zinc/29/53/38/1031295338.db2.gz HBHFIOMHSZTCRY-LLVKDONJSA-N 1 2 332.341 3.817 20 0 EHADLO CCCc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1-c1ccc(C)cc1 ZINC000515197621 1031296333 /nfs/dbraw/zinc/29/63/33/1031296333.db2.gz SXFXQVNEKHIALS-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO c1ccn2c(c1)nnc2[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527833751 1031301250 /nfs/dbraw/zinc/30/12/50/1031301250.db2.gz PAWUIIMHTBAHOM-INIZCTEOSA-N 1 2 329.407 3.662 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2c1C ZINC000116727663 1031320420 /nfs/dbraw/zinc/32/04/20/1031320420.db2.gz AIFMTBZIZYZDGW-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868807 1031350891 /nfs/dbraw/zinc/35/08/91/1031350891.db2.gz MSBLPPHCZYPJHE-AUUYWEPGSA-N 1 2 339.414 3.610 20 0 EHADLO Cc1ccc(CCCC(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000175610141 1031352687 /nfs/dbraw/zinc/35/26/87/1031352687.db2.gz LMHPSPPYGPUBNX-UHFFFAOYSA-N 1 2 343.496 3.559 20 0 EHADLO C[C@H](CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000583997832 1031354859 /nfs/dbraw/zinc/35/48/59/1031354859.db2.gz VPODTJMYVWSGGN-IAGOWNOFSA-N 1 2 325.456 3.851 20 0 EHADLO Cc1cc(N2CCC[C@@H]2C[C@H](O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000175779085 1031378113 /nfs/dbraw/zinc/37/81/13/1031378113.db2.gz UJQZJWOJVSLUNC-CABCVRRESA-N 1 2 329.469 3.816 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)n1 ZINC000527922188 1031412868 /nfs/dbraw/zinc/41/28/68/1031412868.db2.gz UXDGPJAQFHZPRJ-JTQLQIEISA-N 1 2 333.486 3.642 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000668307487 1031437324 /nfs/dbraw/zinc/43/73/24/1031437324.db2.gz GZPRBHFAYOUNMW-MRXNPFEDSA-N 1 2 325.456 3.620 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151440571 1031440783 /nfs/dbraw/zinc/44/07/83/1031440783.db2.gz KKSRKRODBSROSU-CYBMUJFWSA-N 1 2 331.375 3.984 20 0 EHADLO O[C@]1(CF)CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C[C@@H]1F ZINC001204717719 1031472004 /nfs/dbraw/zinc/47/20/04/1031472004.db2.gz QEAYWLHPMAKKII-IRXDYDNUSA-N 1 2 341.785 3.844 20 0 EHADLO O[C@]1(CF)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C[C@@H]1F ZINC001204717719 1031472013 /nfs/dbraw/zinc/47/20/13/1031472013.db2.gz QEAYWLHPMAKKII-IRXDYDNUSA-N 1 2 341.785 3.844 20 0 EHADLO C[C@@H](c1ccccn1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000177030607 1031477519 /nfs/dbraw/zinc/47/75/19/1031477519.db2.gz KTKBVWQQOTVAKC-HNNXBMFYSA-N 1 2 344.528 3.714 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000584025509 1031487772 /nfs/dbraw/zinc/48/77/72/1031487772.db2.gz LWQZZCJYDCDKNR-HNNXBMFYSA-N 1 2 347.865 3.795 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2CCCOCCc2ccccc2)o1 ZINC000116995574 1031489620 /nfs/dbraw/zinc/48/96/20/1031489620.db2.gz OMCRFJSHUXDQHR-LJQANCHMSA-N 1 2 329.440 3.611 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2CCCOCCc2ccccc2)o1 ZINC000116995574 1031489627 /nfs/dbraw/zinc/48/96/27/1031489627.db2.gz OMCRFJSHUXDQHR-LJQANCHMSA-N 1 2 329.440 3.611 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000347411395 1031498763 /nfs/dbraw/zinc/49/87/63/1031498763.db2.gz AFZJMKYKILPWLE-MSOLQXFVSA-N 1 2 337.467 3.636 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC000083415791 1031499608 /nfs/dbraw/zinc/49/96/08/1031499608.db2.gz PTKZLWJRMGKECD-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC000083415791 1031499615 /nfs/dbraw/zinc/49/96/15/1031499615.db2.gz PTKZLWJRMGKECD-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(F)c(Br)cc1F)c1nccn1C ZINC000527979664 1031514662 /nfs/dbraw/zinc/51/46/62/1031514662.db2.gz KWGJOMBBUDXJDC-ZDUSSCGKSA-N 1 2 344.203 3.702 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000347429899 1031519067 /nfs/dbraw/zinc/51/90/67/1031519067.db2.gz LTYCUTLOCWIUPP-BRWVUGGUSA-N 1 2 331.504 3.979 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(Cc3cccc(F)c3)CCC2)c[nH+]1 ZINC000584038780 1031549700 /nfs/dbraw/zinc/54/97/00/1031549700.db2.gz JPZCCJLLJXBGFZ-UHFFFAOYSA-N 1 2 341.430 3.802 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484356296 1031555766 /nfs/dbraw/zinc/55/57/66/1031555766.db2.gz MSUDKXCYIAAHOS-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000484356296 1031555771 /nfs/dbraw/zinc/55/57/71/1031555771.db2.gz MSUDKXCYIAAHOS-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177763469 1031566536 /nfs/dbraw/zinc/56/65/36/1031566536.db2.gz GUDRECOHESRYLZ-LBPRGKRZSA-N 1 2 344.365 3.515 20 0 EHADLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cc(F)ccc1F ZINC000177630595 1031580994 /nfs/dbraw/zinc/58/09/94/1031580994.db2.gz ZMAJRVLMYVHCSJ-INIZCTEOSA-N 1 2 344.365 3.563 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000177930211 1031597023 /nfs/dbraw/zinc/59/70/23/1031597023.db2.gz IWCFVRFWBAQVME-MRXNPFEDSA-N 1 2 342.830 3.938 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551720733 1031603077 /nfs/dbraw/zinc/60/30/77/1031603077.db2.gz GNFIKDJOVZRYOK-IINYFYTJSA-N 1 2 336.233 3.942 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000343614717 1031639911 /nfs/dbraw/zinc/63/99/11/1031639911.db2.gz HUAJDQPYGVMSEH-HXUWFJFHSA-N 1 2 327.472 3.606 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000343614717 1031639916 /nfs/dbraw/zinc/63/99/16/1031639916.db2.gz HUAJDQPYGVMSEH-HXUWFJFHSA-N 1 2 327.472 3.606 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2c(Cl)cccc2OCC2CC2)n1 ZINC000904033185 1031641146 /nfs/dbraw/zinc/64/11/46/1031641146.db2.gz FMYBCMCEHVBUND-UHFFFAOYSA-N 1 2 344.802 3.503 20 0 EHADLO CC(C)n1ncc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc21 ZINC000178193407 1031641563 /nfs/dbraw/zinc/64/15/63/1031641563.db2.gz ULZDNDBZDIXFDZ-UHFFFAOYSA-N 1 2 348.410 3.587 20 0 EHADLO Clc1ccc2nc([C@H]3CCC[N@@H+]3CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000329663982 1031673859 /nfs/dbraw/zinc/67/38/59/1031673859.db2.gz JRMYIIALPHWLQV-SJORKVTESA-N 1 2 349.862 3.896 20 0 EHADLO Clc1ccc2nc([C@H]3CCC[N@H+]3CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000329663982 1031673863 /nfs/dbraw/zinc/67/38/63/1031673863.db2.gz JRMYIIALPHWLQV-SJORKVTESA-N 1 2 349.862 3.896 20 0 EHADLO Cc1oc(-c2ccccc2)nc1Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923795156 1031704467 /nfs/dbraw/zinc/70/44/67/1031704467.db2.gz IVTKQVNNULQBNM-ZIAGYGMSSA-N 1 2 347.378 3.618 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000584098642 1031716672 /nfs/dbraw/zinc/71/66/72/1031716672.db2.gz ZTTDUYBRDZTEBD-KRWDZBQOSA-N 1 2 346.862 3.553 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000117579462 1031756204 /nfs/dbraw/zinc/75/62/04/1031756204.db2.gz OHZBYISVDZRLBL-LJQANCHMSA-N 1 2 335.407 3.762 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741838 1031760158 /nfs/dbraw/zinc/76/01/58/1031760158.db2.gz JCSAJYMGUWNRDM-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000475741838 1031760167 /nfs/dbraw/zinc/76/01/67/1031760167.db2.gz JCSAJYMGUWNRDM-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO COc1cccc(C2(F)CC[NH+](Cc3c(Cl)cnn3C)CC2)c1 ZINC000343643993 1031768712 /nfs/dbraw/zinc/76/87/12/1031768712.db2.gz VZVCLICJTTUWEN-UHFFFAOYSA-N 1 2 337.826 3.543 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000080657718 1031812471 /nfs/dbraw/zinc/81/24/71/1031812471.db2.gz RYJRDTJAVLKVAP-LLVKDONJSA-N 1 2 328.890 3.782 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000080657718 1031812487 /nfs/dbraw/zinc/81/24/87/1031812487.db2.gz RYJRDTJAVLKVAP-LLVKDONJSA-N 1 2 328.890 3.782 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086233592 1031815739 /nfs/dbraw/zinc/81/57/39/1031815739.db2.gz MZNVMQGVFQTTCR-STQMWFEESA-N 1 2 344.377 3.606 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086233592 1031815755 /nfs/dbraw/zinc/81/57/55/1031815755.db2.gz MZNVMQGVFQTTCR-STQMWFEESA-N 1 2 344.377 3.606 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000086235824 1031820471 /nfs/dbraw/zinc/82/04/71/1031820471.db2.gz HTOLFAYMUYITFA-AWEZNQCLSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000086235824 1031820492 /nfs/dbraw/zinc/82/04/92/1031820492.db2.gz HTOLFAYMUYITFA-AWEZNQCLSA-N 1 2 330.403 3.603 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ncccc1C(F)(F)F ZINC000179925676 1031821052 /nfs/dbraw/zinc/82/10/52/1031821052.db2.gz BHGJQQVLIHYHFL-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CC(=O)c1ccccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000179932145 1031823214 /nfs/dbraw/zinc/82/32/14/1031823214.db2.gz RKYOOVHQLZWSFC-UHFFFAOYSA-N 1 2 349.312 3.732 20 0 EHADLO O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000117776584 1031851723 /nfs/dbraw/zinc/85/17/23/1031851723.db2.gz ABCMEDOQSUQNDI-OAHLLOKOSA-N 1 2 333.391 3.972 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CC(C)(C)c2ccc(F)cc2)n1 ZINC000904265318 1031893737 /nfs/dbraw/zinc/89/37/37/1031893737.db2.gz YCINBIJFXCQGSR-UHFFFAOYSA-N 1 2 326.375 3.682 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(CC2CCC(C(F)(F)F)CC2)n1 ZINC000904269658 1031900198 /nfs/dbraw/zinc/90/01/98/1031900198.db2.gz OVWGXBOJIFUPHN-UHFFFAOYSA-N 1 2 340.349 3.933 20 0 EHADLO Cc1ccc(OCCCc2nc(-c3ccc(N)[nH+]c3C)no2)cc1C ZINC000904259761 1031904110 /nfs/dbraw/zinc/90/41/10/1031904110.db2.gz JORSRHNJSFGCPK-UHFFFAOYSA-N 1 2 338.411 3.651 20 0 EHADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927885 1031905360 /nfs/dbraw/zinc/90/53/60/1031905360.db2.gz JRUJYKAENBOONO-OXJNMPFZSA-N 1 2 329.488 3.905 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1OC(F)F ZINC000460665842 1031944238 /nfs/dbraw/zinc/94/42/38/1031944238.db2.gz BWMQOPFXYHJURP-UHFFFAOYSA-N 1 2 347.365 3.700 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195013776 1031958981 /nfs/dbraw/zinc/95/89/81/1031958981.db2.gz PEJLFLRBBQMNEN-IBGZPJMESA-N 1 2 329.465 3.715 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195013776 1031958987 /nfs/dbraw/zinc/95/89/87/1031958987.db2.gz PEJLFLRBBQMNEN-IBGZPJMESA-N 1 2 329.465 3.715 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181243133 1031960677 /nfs/dbraw/zinc/96/06/77/1031960677.db2.gz LPBKWRHUFXMRPH-KRWDZBQOSA-N 1 2 338.455 3.836 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181243133 1031960693 /nfs/dbraw/zinc/96/06/93/1031960693.db2.gz LPBKWRHUFXMRPH-KRWDZBQOSA-N 1 2 338.455 3.836 20 0 EHADLO Nc1nc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)nc2ccccc12 ZINC000181344446 1031975943 /nfs/dbraw/zinc/97/59/43/1031975943.db2.gz NAHCRSZIUGACQA-QGZVFWFLSA-N 1 2 336.464 3.502 20 0 EHADLO Nc1nc(C[N@H+]2CCSC[C@@H]2c2ccccc2)nc2ccccc12 ZINC000181344446 1031975954 /nfs/dbraw/zinc/97/59/54/1031975954.db2.gz NAHCRSZIUGACQA-QGZVFWFLSA-N 1 2 336.464 3.502 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000347474429 1031978562 /nfs/dbraw/zinc/97/85/62/1031978562.db2.gz WHEFGEDQQDRJNF-MRXNPFEDSA-N 1 2 343.496 3.535 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cncc(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000181831120 1032038867 /nfs/dbraw/zinc/03/88/67/1032038867.db2.gz RTUIAYSYLPTNCR-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CC[C@@H](C)C1 ZINC000484889187 1032056940 /nfs/dbraw/zinc/05/69/40/1032056940.db2.gz RVDRISKQTVYAGW-QAPCUYQASA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CC[C@@H](C)C1 ZINC000484889187 1032056951 /nfs/dbraw/zinc/05/69/51/1032056951.db2.gz RVDRISKQTVYAGW-QAPCUYQASA-N 1 2 343.471 3.606 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000173425068 1033297591 /nfs/dbraw/zinc/29/75/91/1033297591.db2.gz NUVCCEBDSFAQTP-MRXNPFEDSA-N 1 2 325.526 3.531 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000173425068 1033297602 /nfs/dbraw/zinc/29/76/02/1033297602.db2.gz NUVCCEBDSFAQTP-MRXNPFEDSA-N 1 2 325.526 3.531 20 0 EHADLO CSC1CCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000603019620 1033314122 /nfs/dbraw/zinc/31/41/22/1033314122.db2.gz CWMVTEMIFXGKDG-UHFFFAOYSA-N 1 2 344.484 3.660 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000607835603 1033325018 /nfs/dbraw/zinc/32/50/18/1033325018.db2.gz NUNRWHAYFNWQRC-SFHVURJKSA-N 1 2 343.475 3.599 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000607835603 1033325024 /nfs/dbraw/zinc/32/50/24/1033325024.db2.gz NUNRWHAYFNWQRC-SFHVURJKSA-N 1 2 343.475 3.599 20 0 EHADLO CCC[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000529073386 1033343965 /nfs/dbraw/zinc/34/39/65/1033343965.db2.gz DWYJKBLPKUNMKT-JKSUJKDBSA-N 1 2 331.847 3.551 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c[nH+]1 ZINC001142535273 1033349431 /nfs/dbraw/zinc/34/94/31/1033349431.db2.gz QSIRYQLDJHXBSC-KRWDZBQOSA-N 1 2 325.456 3.856 20 0 EHADLO CCC[C@@H](CC(C)C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000449872861 1033349534 /nfs/dbraw/zinc/34/95/34/1033349534.db2.gz RZOGUHUIXNXOKV-MSOLQXFVSA-N 1 2 331.504 3.749 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc(F)cc2F)CS1 ZINC000898106640 1033351330 /nfs/dbraw/zinc/35/13/30/1033351330.db2.gz QRVSGKSUAABIFX-KFNAQCHYSA-N 1 2 337.439 3.661 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)ccc2Cl)c1C ZINC000050449299 1033394324 /nfs/dbraw/zinc/39/43/24/1033394324.db2.gz WQRGVVDQKRKVGX-UHFFFAOYSA-N 1 2 339.222 3.944 20 0 EHADLO CCOc1ccccc1N1CC[NH+]([C@H](C)c2ccc(F)nc2)CC1 ZINC000929153045 1033404177 /nfs/dbraw/zinc/40/41/77/1033404177.db2.gz NLRBUGMPICRXHB-OAHLLOKOSA-N 1 2 329.419 3.503 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000669673204 1033457729 /nfs/dbraw/zinc/45/77/29/1033457729.db2.gz QBIPICQWJBXYQQ-RDJZCZTQSA-N 1 2 329.488 3.752 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(CCSC3CCCCC3)nn2)cc1 ZINC000603242658 1033460561 /nfs/dbraw/zinc/46/05/61/1033460561.db2.gz OVQRAAYOUQCMEZ-UHFFFAOYSA-N 1 2 348.491 3.773 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)Cn1cc[nH+]c1 ZINC000449957121 1033491541 /nfs/dbraw/zinc/49/15/41/1033491541.db2.gz BUYKNSLFWDCTHQ-IVMMDQJWSA-N 1 2 349.837 3.622 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000608159900 1033504747 /nfs/dbraw/zinc/50/47/47/1033504747.db2.gz KKHSNBZSCPSUAZ-NRFANRHFSA-N 1 2 345.446 3.990 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1cccc(Sc2ccccc2)c1 ZINC000594910707 1033539953 /nfs/dbraw/zinc/53/99/53/1033539953.db2.gz BTDXSNNQBAMLGD-UHFFFAOYSA-N 1 2 338.436 3.856 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000608206161 1033541506 /nfs/dbraw/zinc/54/15/06/1033541506.db2.gz STZMQJZLSUHNDU-KRWDZBQOSA-N 1 2 339.826 3.787 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000608205146 1033541729 /nfs/dbraw/zinc/54/17/29/1033541729.db2.gz OCVXGXXAWMSFBR-QGZVFWFLSA-N 1 2 345.402 3.880 20 0 EHADLO CC(C)C1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000173863327 1033563250 /nfs/dbraw/zinc/56/32/50/1033563250.db2.gz PSGJOQAORATZRD-UHFFFAOYSA-N 1 2 331.428 3.551 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cn3cccc(C)c3n1)C2 ZINC000685605754 1033617097 /nfs/dbraw/zinc/61/70/97/1033617097.db2.gz STRNUFKQFZFIOE-UHFFFAOYSA-N 1 2 333.435 3.699 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cn3cccc(C)c3n1)C2 ZINC000685605754 1033617104 /nfs/dbraw/zinc/61/71/04/1033617104.db2.gz STRNUFKQFZFIOE-UHFFFAOYSA-N 1 2 333.435 3.699 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000595066787 1033644466 /nfs/dbraw/zinc/64/44/66/1033644466.db2.gz BRHJGVQOGVKRRH-NSHDSACASA-N 1 2 333.359 3.597 20 0 EHADLO Cn1c[nH+]cc1COc1ccc(Br)c(C(F)(F)F)c1 ZINC000307979922 1033679284 /nfs/dbraw/zinc/67/92/84/1033679284.db2.gz MTQICGDKAAJEEH-UHFFFAOYSA-N 1 2 335.123 3.780 20 0 EHADLO Cc1cc(N[C@H](C)c2noc(Cc3ccccc3)n2)nc(C2CC2)[nH+]1 ZINC000080247224 1033711663 /nfs/dbraw/zinc/71/16/63/1033711663.db2.gz LTJCNVGQQVSXQA-CYBMUJFWSA-N 1 2 335.411 3.809 20 0 EHADLO COc1ccc([C@@H](CNCc2nc(C)c(C)s2)[NH+]2CCCC2)cc1 ZINC000892413045 1033713402 /nfs/dbraw/zinc/71/34/02/1033713402.db2.gz CIHGWDJVPGOGMW-GOSISDBHSA-N 1 2 345.512 3.695 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@H](C)c3cccs3)nc2c1 ZINC000595297786 1033720408 /nfs/dbraw/zinc/72/04/08/1033720408.db2.gz OQUZVYMSNRVHRK-LLVKDONJSA-N 1 2 329.425 3.604 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@H](C)c3cccs3)nc2c1 ZINC000595297786 1033720425 /nfs/dbraw/zinc/72/04/25/1033720425.db2.gz OQUZVYMSNRVHRK-LLVKDONJSA-N 1 2 329.425 3.604 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccsc2)C[C@@H](C)O1 ZINC000046344056 1033757455 /nfs/dbraw/zinc/75/74/55/1033757455.db2.gz JIUHPEAGRVKIAA-HUUCEWRRSA-N 1 2 344.480 3.539 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000608566431 1033767001 /nfs/dbraw/zinc/76/70/01/1033767001.db2.gz PNAVGJRMMXUSKL-UHFFFAOYSA-N 1 2 328.456 3.730 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)c2cc(C)[nH]c2C)ccc1SC ZINC000101547183 1033773652 /nfs/dbraw/zinc/77/36/52/1033773652.db2.gz SINSMUUDWPZNCP-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)c2cc(C)[nH]c2C)ccc1SC ZINC000101547183 1033773669 /nfs/dbraw/zinc/77/36/69/1033773669.db2.gz SINSMUUDWPZNCP-UHFFFAOYSA-N 1 2 332.469 3.677 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3cc(-c4ccccc4)on3)c(C)n2n1 ZINC000093404199 1033799909 /nfs/dbraw/zinc/79/99/09/1033799909.db2.gz SJOHZYOPJVPRMH-AWEZNQCLSA-N 1 2 347.422 3.852 20 0 EHADLO C[C@H](c1ccncc1)[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000599203801 1033808755 /nfs/dbraw/zinc/80/87/55/1033808755.db2.gz OMOKAJWJFVAQEF-GFCCVEGCSA-N 1 2 337.254 3.667 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)c(Cl)c1)c1ncnn1C ZINC000657989586 1033815520 /nfs/dbraw/zinc/81/55/20/1033815520.db2.gz OCNDEHDICZSHFT-IUCAKERBSA-N 1 2 343.656 3.643 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(Br)c(Cl)c1 ZINC000657989582 1033817352 /nfs/dbraw/zinc/81/73/52/1033817352.db2.gz OCNDEHDICZSHFT-BDAKNGLRSA-N 1 2 343.656 3.643 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1O ZINC000476430612 1033829340 /nfs/dbraw/zinc/82/93/40/1033829340.db2.gz AYQCWNRNQOXXQZ-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1O ZINC000476430612 1033829350 /nfs/dbraw/zinc/82/93/50/1033829350.db2.gz AYQCWNRNQOXXQZ-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1O ZINC000476430614 1033829630 /nfs/dbraw/zinc/82/96/30/1033829630.db2.gz AYQCWNRNQOXXQZ-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1O ZINC000476430614 1033829642 /nfs/dbraw/zinc/82/96/42/1033829642.db2.gz AYQCWNRNQOXXQZ-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000595570135 1033845590 /nfs/dbraw/zinc/84/55/90/1033845590.db2.gz SLMQEWVYTOTJRO-UHFFFAOYSA-N 1 2 347.846 3.717 20 0 EHADLO Cc1ccc(OCCC[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000608747814 1033859198 /nfs/dbraw/zinc/85/91/98/1033859198.db2.gz FNGJSDSUCSCPLA-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000608747814 1033859213 /nfs/dbraw/zinc/85/92/13/1033859213.db2.gz FNGJSDSUCSCPLA-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000608751362 1033861993 /nfs/dbraw/zinc/86/19/93/1033861993.db2.gz ZFNISIGJDYPZRB-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000608751362 1033862006 /nfs/dbraw/zinc/86/20/06/1033862006.db2.gz ZFNISIGJDYPZRB-GDBMZVCRSA-N 1 2 331.378 3.724 20 0 EHADLO CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000608760226 1033873666 /nfs/dbraw/zinc/87/36/66/1033873666.db2.gz NBCZKESAFHHFJG-UHFFFAOYSA-N 1 2 343.452 3.823 20 0 EHADLO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597265 1033913753 /nfs/dbraw/zinc/91/37/53/1033913753.db2.gz WMJJYKSXTSGCAF-AWEZNQCLSA-N 1 2 346.475 3.564 20 0 EHADLO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597265 1033913761 /nfs/dbraw/zinc/91/37/61/1033913761.db2.gz WMJJYKSXTSGCAF-AWEZNQCLSA-N 1 2 346.475 3.564 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000450216829 1033919813 /nfs/dbraw/zinc/91/98/13/1033919813.db2.gz OGELLONKWWSQHF-AWEZNQCLSA-N 1 2 335.444 3.812 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000450216829 1033919828 /nfs/dbraw/zinc/91/98/28/1033919828.db2.gz OGELLONKWWSQHF-AWEZNQCLSA-N 1 2 335.444 3.812 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000120543524 1033920237 /nfs/dbraw/zinc/92/02/37/1033920237.db2.gz LDBWOENBOMJXHN-CABCVRRESA-N 1 2 331.410 3.800 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000658096271 1033926009 /nfs/dbraw/zinc/92/60/09/1033926009.db2.gz BWGSTLKAZQSREB-OFQRWUPVSA-N 1 2 344.459 3.822 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000669698324 1033932507 /nfs/dbraw/zinc/93/25/07/1033932507.db2.gz CITVREUVFNXPJH-IBGZPJMESA-N 1 2 338.386 3.511 20 0 EHADLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000669698324 1033932516 /nfs/dbraw/zinc/93/25/16/1033932516.db2.gz CITVREUVFNXPJH-IBGZPJMESA-N 1 2 338.386 3.511 20 0 EHADLO O=C(/C=C/C1CCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000117750262 1033978784 /nfs/dbraw/zinc/97/87/84/1033978784.db2.gz ALCUCQGPSSOCQU-VAWYXSNFSA-N 1 2 337.467 3.727 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000599529915 1033992178 /nfs/dbraw/zinc/99/21/78/1033992178.db2.gz FVTMDJXWOZQHEW-MRXNPFEDSA-N 1 2 340.471 3.748 20 0 EHADLO CCOc1ccccc1CN(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000599529915 1033992190 /nfs/dbraw/zinc/99/21/90/1033992190.db2.gz FVTMDJXWOZQHEW-MRXNPFEDSA-N 1 2 340.471 3.748 20 0 EHADLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884161 1034009543 /nfs/dbraw/zinc/00/95/43/1034009543.db2.gz ULUYDSJZYRRKTF-ZDUSSCGKSA-N 1 2 348.410 3.611 20 0 EHADLO C[C@H]1C[N@H+](Cc2csc(C3CC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589820 1034028470 /nfs/dbraw/zinc/02/84/70/1034028470.db2.gz OCOHGFQKQNXIJC-WFASDCNBSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@H]1C[N@@H+](Cc2csc(C3CC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589820 1034028485 /nfs/dbraw/zinc/02/84/85/1034028485.db2.gz OCOHGFQKQNXIJC-WFASDCNBSA-N 1 2 336.501 3.820 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)n1 ZINC000450289122 1034032447 /nfs/dbraw/zinc/03/24/47/1034032447.db2.gz RPURICDKCMHGAE-MRXNPFEDSA-N 1 2 330.453 3.884 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)n1 ZINC000450289122 1034032468 /nfs/dbraw/zinc/03/24/68/1034032468.db2.gz RPURICDKCMHGAE-MRXNPFEDSA-N 1 2 330.453 3.884 20 0 EHADLO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)c4csnn4)CC3)c2c1 ZINC000450292623 1034065379 /nfs/dbraw/zinc/06/53/79/1034065379.db2.gz ZZAOQBXSQJFJAS-LBPRGKRZSA-N 1 2 342.468 3.969 20 0 EHADLO CC(C)CN(CC(C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895848 1034073782 /nfs/dbraw/zinc/07/37/82/1034073782.db2.gz ADOVYUSTWBWOGD-UHFFFAOYSA-N 1 2 328.460 3.696 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450305896 1034076834 /nfs/dbraw/zinc/07/68/34/1034076834.db2.gz XVJGOWOOSNMVAX-GFCCVEGCSA-N 1 2 338.377 3.900 20 0 EHADLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450305896 1034076839 /nfs/dbraw/zinc/07/68/39/1034076839.db2.gz XVJGOWOOSNMVAX-GFCCVEGCSA-N 1 2 338.377 3.900 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c1F ZINC000658227853 1034087345 /nfs/dbraw/zinc/08/73/45/1034087345.db2.gz KYKKAFXNMQKSEL-NSHDSACASA-N 1 2 340.345 3.990 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)CC1 ZINC000529526652 1034105311 /nfs/dbraw/zinc/10/53/11/1034105311.db2.gz HATLOYOBKKXPBE-CYBMUJFWSA-N 1 2 345.256 3.764 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)CC1 ZINC000529526652 1034105317 /nfs/dbraw/zinc/10/53/17/1034105317.db2.gz HATLOYOBKKXPBE-CYBMUJFWSA-N 1 2 345.256 3.764 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599679297 1034106713 /nfs/dbraw/zinc/10/67/13/1034106713.db2.gz MPPLEQPZLHARRC-SUMWQHHRSA-N 1 2 349.427 3.599 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599679297 1034106719 /nfs/dbraw/zinc/10/67/19/1034106719.db2.gz MPPLEQPZLHARRC-SUMWQHHRSA-N 1 2 349.427 3.599 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521163 1034127124 /nfs/dbraw/zinc/12/71/24/1034127124.db2.gz SSSNCITVQGVPEL-MLGOLLRUSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1cscn1 ZINC000529521163 1034127129 /nfs/dbraw/zinc/12/71/29/1034127129.db2.gz SSSNCITVQGVPEL-MLGOLLRUSA-N 1 2 349.887 3.638 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2cn[nH]n2)cc1 ZINC000658265722 1034128495 /nfs/dbraw/zinc/12/84/95/1034128495.db2.gz OBQMRCMYERYCDW-OGVSOVDVSA-N 1 2 336.361 3.591 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)c2c[nH]nn2)cc1 ZINC000658265722 1034128502 /nfs/dbraw/zinc/12/85/02/1034128502.db2.gz OBQMRCMYERYCDW-OGVSOVDVSA-N 1 2 336.361 3.591 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(F)cc1OC ZINC000529523766 1034131612 /nfs/dbraw/zinc/13/16/12/1034131612.db2.gz YUFBDBGOLLLUKW-KRWDZBQOSA-N 1 2 330.403 3.965 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c(F)cc1OC ZINC000529523766 1034131624 /nfs/dbraw/zinc/13/16/24/1034131624.db2.gz YUFBDBGOLLLUKW-KRWDZBQOSA-N 1 2 330.403 3.965 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1Cl ZINC000529545028 1034153373 /nfs/dbraw/zinc/15/33/73/1034153373.db2.gz ZHVSKBNFHCKZPP-LBPRGKRZSA-N 1 2 345.817 3.636 20 0 EHADLO COc1ccc([C@H](CNCc2ccc(F)cn2)[NH+]2CCCCC2)cc1 ZINC000529536148 1034163682 /nfs/dbraw/zinc/16/36/82/1034163682.db2.gz KYWOEJULLBXIPX-FQEVSTJZSA-N 1 2 343.446 3.546 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120824005 1034178433 /nfs/dbraw/zinc/17/84/33/1034178433.db2.gz PZKFDPQSFJWFDY-OAHLLOKOSA-N 1 2 348.855 3.507 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Br)c1 ZINC000529554976 1034193011 /nfs/dbraw/zinc/19/30/11/1034193011.db2.gz NYQFNRCISDPNGD-ZIAGYGMSSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Br)c1 ZINC000529554976 1034193018 /nfs/dbraw/zinc/19/30/18/1034193018.db2.gz NYQFNRCISDPNGD-ZIAGYGMSSA-N 1 2 345.668 3.641 20 0 EHADLO CC(C)c1cc(N2CCN(c3ncccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000534147356 1034201570 /nfs/dbraw/zinc/20/15/70/1034201570.db2.gz RSBRJJXGGDOHSA-UHFFFAOYSA-N 1 2 343.450 3.584 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000120974473 1034275156 /nfs/dbraw/zinc/27/51/56/1034275156.db2.gz MBSGUNPPFZTAAF-DZGCQCFKSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000120974473 1034275173 /nfs/dbraw/zinc/27/51/73/1034275173.db2.gz MBSGUNPPFZTAAF-DZGCQCFKSA-N 1 2 337.533 3.826 20 0 EHADLO CN(C)c1nc(N2CCC(Cc3cccnc3)CC2)[nH+]c2ccccc21 ZINC000450418911 1034305772 /nfs/dbraw/zinc/30/57/72/1034305772.db2.gz NFRVQOASSGJJRB-UHFFFAOYSA-N 1 2 347.466 3.550 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C ZINC000596594432 1034311388 /nfs/dbraw/zinc/31/13/88/1034311388.db2.gz VDFSFHNALGKGRC-CXAGYDPISA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C ZINC000596594432 1034311399 /nfs/dbraw/zinc/31/13/99/1034311399.db2.gz VDFSFHNALGKGRC-CXAGYDPISA-N 1 2 328.412 3.914 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604309463 1034323055 /nfs/dbraw/zinc/32/30/55/1034323055.db2.gz ZFZOKXUJIHTWPI-GOSISDBHSA-N 1 2 340.492 3.512 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1nccc3ccccc31)C2 ZINC000529639934 1034332959 /nfs/dbraw/zinc/33/29/59/1034332959.db2.gz FPDRCMMRMOUETM-UHFFFAOYSA-N 1 2 332.451 3.881 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1nccc3ccccc31)C2 ZINC000529639934 1034332971 /nfs/dbraw/zinc/33/29/71/1034332971.db2.gz FPDRCMMRMOUETM-UHFFFAOYSA-N 1 2 332.451 3.881 20 0 EHADLO C[C@H](c1csnn1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000450441961 1034336852 /nfs/dbraw/zinc/33/68/52/1034336852.db2.gz RLVSPULDVZSVGT-QWHCGFSZSA-N 1 2 336.892 3.631 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443325 1034338231 /nfs/dbraw/zinc/33/82/31/1034338231.db2.gz VCRGXMMBHOMAFK-GJZGRUSLSA-N 1 2 335.517 3.975 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443325 1034338243 /nfs/dbraw/zinc/33/82/43/1034338243.db2.gz VCRGXMMBHOMAFK-GJZGRUSLSA-N 1 2 335.517 3.975 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C(C)C ZINC000456352423 1034342091 /nfs/dbraw/zinc/34/20/91/1034342091.db2.gz UYHGPSWBCIPKOE-FPOVZHCZSA-N 1 2 339.483 3.613 20 0 EHADLO C[C@H](CCC1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000604380642 1034353214 /nfs/dbraw/zinc/35/32/14/1034353214.db2.gz SAKKPWZKHCNRAY-AEFFLSMTSA-N 1 2 346.519 3.846 20 0 EHADLO C[C@H](CCC1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000604380642 1034353224 /nfs/dbraw/zinc/35/32/24/1034353224.db2.gz SAKKPWZKHCNRAY-AEFFLSMTSA-N 1 2 346.519 3.846 20 0 EHADLO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299943 1034356334 /nfs/dbraw/zinc/35/63/34/1034356334.db2.gz MOWJKGZHZCAECO-UHFFFAOYSA-N 1 2 341.798 3.989 20 0 EHADLO Cc1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c(C)c[nH+]1 ZINC000534299402 1034358189 /nfs/dbraw/zinc/35/81/89/1034358189.db2.gz KUXDMSTYURXRQA-FQEVSTJZSA-N 1 2 332.403 3.879 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCCCCC1 ZINC000121041517 1034358666 /nfs/dbraw/zinc/35/86/66/1034358666.db2.gz GKHKIPDXZCPHJL-HNNXBMFYSA-N 1 2 337.533 3.970 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000121041517 1034358682 /nfs/dbraw/zinc/35/86/82/1034358682.db2.gz GKHKIPDXZCPHJL-HNNXBMFYSA-N 1 2 337.533 3.970 20 0 EHADLO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299608 1034358489 /nfs/dbraw/zinc/35/84/89/1034358489.db2.gz UNZRGUMWBYUBSA-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c(C)c[nH+]1 ZINC000534299771 1034359032 /nfs/dbraw/zinc/35/90/32/1034359032.db2.gz JTCRXYBWFCJWIW-UHFFFAOYSA-N 1 2 334.341 3.809 20 0 EHADLO O=C(CCC[N@@H+]1CCOC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000450452001 1034361611 /nfs/dbraw/zinc/36/16/11/1034361611.db2.gz GTCBCEHLBQQCFH-IBGZPJMESA-N 1 2 327.399 3.862 20 0 EHADLO O=C(CCC[N@H+]1CCOC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000450452001 1034361624 /nfs/dbraw/zinc/36/16/24/1034361624.db2.gz GTCBCEHLBQQCFH-IBGZPJMESA-N 1 2 327.399 3.862 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604670805 1034449255 /nfs/dbraw/zinc/44/92/55/1034449255.db2.gz SCNWOYMNHUJFSN-NVXWUHKLSA-N 1 2 326.444 3.592 20 0 EHADLO Clc1ccc(C2([NH2+]Cc3cn(CC4CC4)nn3)CC2)cc1Cl ZINC000450520792 1034470502 /nfs/dbraw/zinc/47/05/02/1034470502.db2.gz RNWUNSAMEMMORF-UHFFFAOYSA-N 1 2 337.254 3.774 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000302994079 1034483893 /nfs/dbraw/zinc/48/38/93/1034483893.db2.gz JTGJLGBMEVZRSZ-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000171600368 1034491403 /nfs/dbraw/zinc/49/14/03/1034491403.db2.gz YECKSZDLDPZNON-UHFFFAOYSA-N 1 2 325.526 3.531 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000171600368 1034491410 /nfs/dbraw/zinc/49/14/10/1034491410.db2.gz YECKSZDLDPZNON-UHFFFAOYSA-N 1 2 325.526 3.531 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450537280 1034513050 /nfs/dbraw/zinc/51/30/50/1034513050.db2.gz CGRAASVVJHROMG-UHFFFAOYSA-N 1 2 327.419 3.583 20 0 EHADLO Cc1nc(N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000413589617 1034518912 /nfs/dbraw/zinc/51/89/12/1034518912.db2.gz HHXKTHFMCWLIMY-MRXNPFEDSA-N 1 2 333.476 3.740 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000604861720 1034532561 /nfs/dbraw/zinc/53/25/61/1034532561.db2.gz OXASGGRODXSLJB-DYESRHJHSA-N 1 2 336.479 3.948 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)C[C@@H]3OCCc4ccccc43)n2)c1 ZINC000548905496 1034541773 /nfs/dbraw/zinc/54/17/73/1034541773.db2.gz RCBQRZYYWFQLQC-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)C[C@@H]3OCCc4ccccc43)n2)c1 ZINC000548905496 1034541783 /nfs/dbraw/zinc/54/17/83/1034541783.db2.gz RCBQRZYYWFQLQC-IBGZPJMESA-N 1 2 349.434 3.791 20 0 EHADLO COC[C@@]1(C)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450604732 1034556295 /nfs/dbraw/zinc/55/62/95/1034556295.db2.gz LZVVSMCYZBQMNN-INIZCTEOSA-N 1 2 335.245 3.860 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)cc1F ZINC000597142042 1034560006 /nfs/dbraw/zinc/56/00/06/1034560006.db2.gz ZAFZMDQBYODZLK-UHFFFAOYSA-N 1 2 333.790 3.865 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)=O)cc2)Cc2ccccc21 ZINC000450595093 1034566826 /nfs/dbraw/zinc/56/68/26/1034566826.db2.gz DNTJNAUWTNFKDP-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)=O)cc2)Cc2ccccc21 ZINC000450595093 1034566833 /nfs/dbraw/zinc/56/68/33/1034566833.db2.gz DNTJNAUWTNFKDP-FQEVSTJZSA-N 1 2 337.419 3.552 20 0 EHADLO CCCCn1c(SCC[C@@H]2CCOC2)nnc1[C@@H](CC)[NH+](C)C ZINC000450596217 1034569530 /nfs/dbraw/zinc/56/95/30/1034569530.db2.gz SMWIEWAUPFTBIV-LSDHHAIUSA-N 1 2 340.537 3.610 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528991 1034647229 /nfs/dbraw/zinc/64/72/29/1034647229.db2.gz QCDUEPPMPGUGBD-AWEZNQCLSA-N 1 2 333.501 3.912 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2csnn2)ccc1OCC(C)C ZINC000450663744 1034659316 /nfs/dbraw/zinc/65/93/16/1034659316.db2.gz MGNXJCAHEPVIHM-QWHCGFSZSA-N 1 2 335.473 3.993 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000534546646 1034659909 /nfs/dbraw/zinc/65/99/09/1034659909.db2.gz VVDQLHGEXYOPKZ-INIZCTEOSA-N 1 2 340.389 3.838 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000534546646 1034659917 /nfs/dbraw/zinc/65/99/17/1034659917.db2.gz VVDQLHGEXYOPKZ-INIZCTEOSA-N 1 2 340.389 3.838 20 0 EHADLO O[C@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccc(-c2ccccc2)cc1 ZINC000375841263 1034688899 /nfs/dbraw/zinc/68/88/99/1034688899.db2.gz RHOYMWHQDDFYRV-TZIWHRDSSA-N 1 2 333.435 3.777 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000450702700 1034714848 /nfs/dbraw/zinc/71/48/48/1034714848.db2.gz AYRLYLUAOVWYMY-FEAKQIBJSA-N 1 2 328.437 3.608 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000450702700 1034714863 /nfs/dbraw/zinc/71/48/63/1034714863.db2.gz AYRLYLUAOVWYMY-FEAKQIBJSA-N 1 2 328.437 3.608 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c[nH+]1 ZINC000456851633 1034810199 /nfs/dbraw/zinc/81/01/99/1034810199.db2.gz WTCGBABOXGGDFN-MRXNPFEDSA-N 1 2 338.451 3.957 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456858445 1034815526 /nfs/dbraw/zinc/81/55/26/1034815526.db2.gz LPLHBAYVDOOBHY-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cs1 ZINC000605707908 1034819135 /nfs/dbraw/zinc/81/91/35/1034819135.db2.gz QYICRKOMDRBJHT-UKRRQHHQSA-N 1 2 346.500 3.719 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cs1 ZINC000605707908 1034819149 /nfs/dbraw/zinc/81/91/49/1034819149.db2.gz QYICRKOMDRBJHT-UKRRQHHQSA-N 1 2 346.500 3.719 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000612347932 1034823400 /nfs/dbraw/zinc/82/34/00/1034823400.db2.gz UAOOOSPUAMIGOG-JYYAWHABSA-N 1 2 337.414 3.508 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000612394710 1034882335 /nfs/dbraw/zinc/88/23/35/1034882335.db2.gz FPFTYOUKTZPDKB-WOJBJXKFSA-N 1 2 345.446 3.550 20 0 EHADLO O[C@H]([C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1)C(F)(F)F ZINC000450878835 1034906059 /nfs/dbraw/zinc/90/60/59/1034906059.db2.gz JJZZMPRYFKTRCV-LKFCYVNXSA-N 1 2 330.737 3.638 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530043384 1034907621 /nfs/dbraw/zinc/90/76/21/1034907621.db2.gz XPECJRXZYXUUHE-FQEVSTJZSA-N 1 2 345.446 3.864 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934424 1034950381 /nfs/dbraw/zinc/95/03/81/1034950381.db2.gz WFYMFSRCRBLINJ-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934424 1034950386 /nfs/dbraw/zinc/95/03/86/1034950386.db2.gz WFYMFSRCRBLINJ-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[C@H](C)n3cc[nH+]c3)n2)s1 ZINC000570048181 1035005472 /nfs/dbraw/zinc/00/54/72/1035005472.db2.gz LARUNDQOCFIOOH-JTQLQIEISA-N 1 2 332.454 3.966 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2c(C)cc(C)cc2C)cc1OC ZINC000065948596 1035011641 /nfs/dbraw/zinc/01/16/41/1035011641.db2.gz FYZCSGHIMPJDOO-UHFFFAOYSA-N 1 2 342.439 3.661 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061735 1035203255 /nfs/dbraw/zinc/20/32/55/1035203255.db2.gz KYIWKIPTKXYMQE-CVEARBPZSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000376061735 1035203258 /nfs/dbraw/zinc/20/32/58/1035203258.db2.gz KYIWKIPTKXYMQE-CVEARBPZSA-N 1 2 336.407 3.510 20 0 EHADLO CCCCN(CC)c1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000511389912 1035272254 /nfs/dbraw/zinc/27/22/54/1035272254.db2.gz FVPURWKISAMJSC-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(C)(C)C[C@@H]3C)cn2c1 ZINC000413980313 1035313224 /nfs/dbraw/zinc/31/32/24/1035313224.db2.gz YAEPNNDGTSBBPJ-AWEZNQCLSA-N 1 2 331.485 3.523 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000613108869 1035403427 /nfs/dbraw/zinc/40/34/27/1035403427.db2.gz YDYODPJDSHUBPQ-SWLSCSKDSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000613108869 1035403429 /nfs/dbraw/zinc/40/34/29/1035403429.db2.gz YDYODPJDSHUBPQ-SWLSCSKDSA-N 1 2 338.835 3.716 20 0 EHADLO Cc1nc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000177825555 1035407619 /nfs/dbraw/zinc/40/76/19/1035407619.db2.gz BIRALXOVUDNQAW-CQSZACIVSA-N 1 2 348.491 3.531 20 0 EHADLO c1ncn2c1C[N@H+](Cc1cn(Cc3ccccc3)c3ccccc13)CC2 ZINC000685850305 1035416669 /nfs/dbraw/zinc/41/66/69/1035416669.db2.gz GGRVZPCXYBOBLX-UHFFFAOYSA-N 1 2 342.446 3.902 20 0 EHADLO c1ncn2c1C[N@@H+](Cc1cn(Cc3ccccc3)c3ccccc13)CC2 ZINC000685850305 1035416671 /nfs/dbraw/zinc/41/66/71/1035416671.db2.gz GGRVZPCXYBOBLX-UHFFFAOYSA-N 1 2 342.446 3.902 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000414075425 1035445945 /nfs/dbraw/zinc/44/59/45/1035445945.db2.gz NPSOSEFEMPFCGW-NOLJZWGESA-N 1 2 346.452 3.501 20 0 EHADLO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1ccccc1-n1cc[nH+]c1 ZINC000613247649 1035471765 /nfs/dbraw/zinc/47/17/65/1035471765.db2.gz ADZPIIOIMTZILF-WMZOPIPTSA-N 1 2 345.393 3.704 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000613248344 1035472324 /nfs/dbraw/zinc/47/23/24/1035472324.db2.gz BHHFEGSGAZTFRK-VQTJNVASSA-N 1 2 345.446 3.909 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431782435 1035481460 /nfs/dbraw/zinc/48/14/60/1035481460.db2.gz OWZWSEZBWFGBTL-IBGZPJMESA-N 1 2 339.483 3.759 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc[nH+]1 ZINC000173688683 1035574344 /nfs/dbraw/zinc/57/43/44/1035574344.db2.gz ZRUZTYUZBKDLDG-NSHDSACASA-N 1 2 335.201 3.559 20 0 EHADLO CCc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000186078537 1035577747 /nfs/dbraw/zinc/57/77/47/1035577747.db2.gz WFWPXEDUIQOVJF-AWEZNQCLSA-N 1 2 334.423 3.629 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000186221743 1035607240 /nfs/dbraw/zinc/60/72/40/1035607240.db2.gz LRUCIJGJIARQQO-OLZOCXBDSA-N 1 2 328.441 3.749 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000431801440 1035611061 /nfs/dbraw/zinc/61/10/61/1035611061.db2.gz ZXJKPITUPKNAPA-UHFFFAOYSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000457014891 1035615883 /nfs/dbraw/zinc/61/58/83/1035615883.db2.gz KQXPRTFCIRQAFI-KRWDZBQOSA-N 1 2 325.456 3.830 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccncc3Cl)c2c1 ZINC001212151069 1035752789 /nfs/dbraw/zinc/75/27/89/1035752789.db2.gz OXBOYBMNEJWNBK-UHFFFAOYSA-N 1 2 327.771 3.625 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2coc(-c3cccs3)n2)c(C)[nH+]1 ZINC000187139959 1035766891 /nfs/dbraw/zinc/76/68/91/1035766891.db2.gz ITZAPHXNHXWEFS-QFIPXVFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187180650 1035780171 /nfs/dbraw/zinc/78/01/71/1035780171.db2.gz PFLQCFAWAFLKLN-FQEVSTJZSA-N 1 2 329.252 3.849 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000187219411 1035790644 /nfs/dbraw/zinc/79/06/44/1035790644.db2.gz JJIBLGHLENBLQZ-OYLFLEFRSA-N 1 2 344.480 3.537 20 0 EHADLO Cc1ccc(CSc2nnnn2-c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000187325148 1035792454 /nfs/dbraw/zinc/79/24/54/1035792454.db2.gz NQZOAXYAHTXXRS-UHFFFAOYSA-N 1 2 331.832 3.620 20 0 EHADLO CC(C)[C@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC12CCCC2 ZINC000457159568 1035797333 /nfs/dbraw/zinc/79/73/33/1035797333.db2.gz GUSLOENFVIRISA-LJQANCHMSA-N 1 2 337.467 3.972 20 0 EHADLO COCCn1c2ccccc2nc1SCc1ccc(C)[nH+]c1C ZINC000187279770 1035802444 /nfs/dbraw/zinc/80/24/44/1035802444.db2.gz IWJYUJUNEJUVGB-UHFFFAOYSA-N 1 2 327.453 3.987 20 0 EHADLO C[C@@H]1CC[C@@]2(CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)C1 ZINC000540985986 1035881000 /nfs/dbraw/zinc/88/10/00/1035881000.db2.gz DUHXOZNZEWVJSR-OXQOHEQNSA-N 1 2 338.455 3.594 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000188306196 1035908861 /nfs/dbraw/zinc/90/88/61/1035908861.db2.gz JPIDFRIYDAGFJZ-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1c(F)cc(F)cc1F ZINC000174241120 1035915062 /nfs/dbraw/zinc/91/50/62/1035915062.db2.gz PCFZOQOBXOAFAM-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000541055578 1035930076 /nfs/dbraw/zinc/93/00/76/1035930076.db2.gz URWMWWGPELNRSE-INIZCTEOSA-N 1 2 343.814 3.522 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)c(C)c[nH+]1 ZINC000535059503 1035970132 /nfs/dbraw/zinc/97/01/32/1035970132.db2.gz JFGURFONMQTVAB-UHFFFAOYSA-N 1 2 348.406 3.629 20 0 EHADLO CC(C)Cc1ncc(CN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000535068432 1035985364 /nfs/dbraw/zinc/98/53/64/1035985364.db2.gz JRJINZPVORGKJF-UHFFFAOYSA-N 1 2 335.542 3.721 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189108549 1036038401 /nfs/dbraw/zinc/03/84/01/1036038401.db2.gz OVDYNEKNBOVKFV-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189108549 1036038421 /nfs/dbraw/zinc/03/84/21/1036038421.db2.gz OVDYNEKNBOVKFV-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000174649593 1036041160 /nfs/dbraw/zinc/04/11/60/1036041160.db2.gz NXZJJKMLICVJMQ-ZDUSSCGKSA-N 1 2 330.432 3.618 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000613485985 1036050091 /nfs/dbraw/zinc/05/00/91/1036050091.db2.gz JJUDXKCHNVVLLN-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000613485985 1036050103 /nfs/dbraw/zinc/05/01/03/1036050103.db2.gz JJUDXKCHNVVLLN-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO O=C(Nc1ccsc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000189369136 1036061189 /nfs/dbraw/zinc/06/11/89/1036061189.db2.gz LMOLUTUZFFBSCP-UHFFFAOYSA-N 1 2 336.848 3.587 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCc1c(F)cccc1Cl)[C@H]2C ZINC000189538603 1036084588 /nfs/dbraw/zinc/08/45/88/1036084588.db2.gz DVYMQMJRNMEZJX-LBPRGKRZSA-N 1 2 336.842 3.813 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCc1c(F)cccc1Cl)[C@H]2C ZINC000189538603 1036084608 /nfs/dbraw/zinc/08/46/08/1036084608.db2.gz DVYMQMJRNMEZJX-LBPRGKRZSA-N 1 2 336.842 3.813 20 0 EHADLO CC(C)c1ccc(C2(C(=O)NCCc3[nH]cc[nH+]3)CCCC2)cc1 ZINC000174759343 1036093438 /nfs/dbraw/zinc/09/34/38/1036093438.db2.gz JNVXKWGAXXYGED-UHFFFAOYSA-N 1 2 325.456 3.704 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000639921200 1036118832 /nfs/dbraw/zinc/11/88/32/1036118832.db2.gz UDBKRUYDCYOEFY-KRWDZBQOSA-N 1 2 342.487 3.596 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000639921200 1036118845 /nfs/dbraw/zinc/11/88/45/1036118845.db2.gz UDBKRUYDCYOEFY-KRWDZBQOSA-N 1 2 342.487 3.596 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1CC2(C1)CCCCC2 ZINC000666198697 1036123707 /nfs/dbraw/zinc/12/37/07/1036123707.db2.gz LZBZFWSERJIDRX-UHFFFAOYSA-N 1 2 337.467 3.908 20 0 EHADLO Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189812161 1036149872 /nfs/dbraw/zinc/14/98/72/1036149872.db2.gz RCHIJWNIMHFALM-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189811290 1036151162 /nfs/dbraw/zinc/15/11/62/1036151162.db2.gz KVPKXCRVKOELNY-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588926474 1036185639 /nfs/dbraw/zinc/18/56/39/1036185639.db2.gz KUPBALLGIRWZQH-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000457520263 1036246505 /nfs/dbraw/zinc/24/65/05/1036246505.db2.gz IWUYKRGLZZHZKF-KGLIPLIRSA-N 1 2 342.405 3.712 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000175133403 1036248315 /nfs/dbraw/zinc/24/83/15/1036248315.db2.gz IMHZFKWAANUZJK-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000175133403 1036248330 /nfs/dbraw/zinc/24/83/30/1036248330.db2.gz IMHZFKWAANUZJK-KRWDZBQOSA-N 1 2 340.402 3.941 20 0 EHADLO Cc1ncc(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)c(=O)[nH]1 ZINC000541384366 1036265156 /nfs/dbraw/zinc/26/51/56/1036265156.db2.gz UUCBMTJJNOCYSL-UHFFFAOYSA-N 1 2 346.843 3.557 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000589160031 1036287400 /nfs/dbraw/zinc/28/74/00/1036287400.db2.gz YDAWRSMBWFIASU-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO CC[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000414253716 1036288936 /nfs/dbraw/zinc/28/89/36/1036288936.db2.gz JPUQPQTZUPYAEP-GWCFXTLKSA-N 1 2 330.329 3.601 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000190787957 1036296418 /nfs/dbraw/zinc/29/64/18/1036296418.db2.gz JZFJLBXOYBWCFD-CQSZACIVSA-N 1 2 325.387 3.871 20 0 EHADLO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414259582 1036328393 /nfs/dbraw/zinc/32/83/93/1036328393.db2.gz QFWQRSMQEIAAQU-CYBMUJFWSA-N 1 2 325.309 3.802 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105624 1036339149 /nfs/dbraw/zinc/33/91/49/1036339149.db2.gz YUBWOORAJPNPGM-GHMZBOCLSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000191105624 1036339169 /nfs/dbraw/zinc/33/91/69/1036339169.db2.gz YUBWOORAJPNPGM-GHMZBOCLSA-N 1 2 328.225 3.514 20 0 EHADLO Clc1ccc([C@@H]([NH2+]Cc2nc3ncccn3n2)C2CC2)cc1Cl ZINC000414267965 1036354885 /nfs/dbraw/zinc/35/48/85/1036354885.db2.gz NQQPNJBQVXIWOZ-HNNXBMFYSA-N 1 2 348.237 3.672 20 0 EHADLO CC[N@H+](Cc1coc(C(C)(C)C)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000929504610 1036423313 /nfs/dbraw/zinc/42/33/13/1036423313.db2.gz HWOPRWQZSRBXHV-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO CC[N@@H+](Cc1coc(C(C)(C)C)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000929504610 1036423332 /nfs/dbraw/zinc/42/33/32/1036423332.db2.gz HWOPRWQZSRBXHV-UHFFFAOYSA-N 1 2 343.471 3.696 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(C)c[nH+]1 ZINC000572677931 1036454300 /nfs/dbraw/zinc/45/43/00/1036454300.db2.gz WJQKUTNEPXIPAL-DOTOQJQBSA-N 1 2 327.403 3.717 20 0 EHADLO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000192184884 1036483330 /nfs/dbraw/zinc/48/33/30/1036483330.db2.gz ZPZBWCXCUROOFL-AWEZNQCLSA-N 1 2 339.443 3.712 20 0 EHADLO Cc1cc(OCCCS(=O)(=O)c2ccccc2)c2ccccc2[nH+]1 ZINC000192191504 1036486642 /nfs/dbraw/zinc/48/66/42/1036486642.db2.gz QCPJKCVUZFRAHQ-UHFFFAOYSA-N 1 2 341.432 3.786 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C/c3ccc(C)nc3)cc2)c1C ZINC000493017593 1036531910 /nfs/dbraw/zinc/53/19/10/1036531910.db2.gz BLWOFYNTGJFFTF-IZZDOVSWSA-N 1 2 332.407 3.844 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000589599629 1036544903 /nfs/dbraw/zinc/54/49/03/1036544903.db2.gz ZAULGRKOXLHTGH-LJQANCHMSA-N 1 2 333.378 3.807 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000589599629 1036544914 /nfs/dbraw/zinc/54/49/14/1036544914.db2.gz ZAULGRKOXLHTGH-LJQANCHMSA-N 1 2 333.378 3.807 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c(C)o1 ZINC000541660298 1036547416 /nfs/dbraw/zinc/54/74/16/1036547416.db2.gz ICDOOXHWXNIQJB-SNVBAGLBSA-N 1 2 336.457 3.979 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+]C3CCC4(CCCO4)CC3)cc2)CCO1 ZINC000376407585 1036567733 /nfs/dbraw/zinc/56/77/33/1036567733.db2.gz ISVXAAMEGJJXPV-PPDQVPDSSA-N 1 2 330.472 3.815 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000249117844 1036574264 /nfs/dbraw/zinc/57/42/64/1036574264.db2.gz WMWBCXPMRNWOFJ-LKTVYLICSA-N 1 2 337.370 3.652 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(I)cc2)CCS1 ZINC000135429168 1036579785 /nfs/dbraw/zinc/57/97/85/1036579785.db2.gz IHQWWGLAABZPTP-CYBMUJFWSA-N 1 2 347.265 3.619 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(I)cc2)CCS1 ZINC000135429168 1036579794 /nfs/dbraw/zinc/57/97/94/1036579794.db2.gz IHQWWGLAABZPTP-CYBMUJFWSA-N 1 2 347.265 3.619 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168177140 1036615334 /nfs/dbraw/zinc/61/53/34/1036615334.db2.gz MGEYVAFGPCTPAT-KBPBESRZSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168177140 1036615344 /nfs/dbraw/zinc/61/53/44/1036615344.db2.gz MGEYVAFGPCTPAT-KBPBESRZSA-N 1 2 333.863 3.691 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000541778636 1036632131 /nfs/dbraw/zinc/63/21/31/1036632131.db2.gz DQPYHGHFPBJYIE-UHFFFAOYSA-N 1 2 343.471 3.641 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000541778636 1036632143 /nfs/dbraw/zinc/63/21/43/1036632143.db2.gz DQPYHGHFPBJYIE-UHFFFAOYSA-N 1 2 343.471 3.641 20 0 EHADLO CC[C@H](Oc1ccccc1C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000176501023 1036632960 /nfs/dbraw/zinc/63/29/60/1036632960.db2.gz WKYJBPSVMRIZQB-KRWDZBQOSA-N 1 2 341.455 3.556 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2cnc3ccccc3n2)c2ccccn2)cc1 ZINC000589831692 1036633760 /nfs/dbraw/zinc/63/37/60/1036633760.db2.gz LDDHKJNNFDMVJO-OAQYLSRUSA-N 1 2 326.403 3.904 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH+]1CCN(c3ncccc3Cl)CC1)CC2 ZINC000535553831 1036641858 /nfs/dbraw/zinc/64/18/58/1036641858.db2.gz IMADVAAXOBFCNO-KRWDZBQOSA-N 1 2 331.822 3.684 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000493098611 1036685965 /nfs/dbraw/zinc/68/59/65/1036685965.db2.gz ZRMALASJQDKXPC-AATRIKPKSA-N 1 2 336.222 3.921 20 0 EHADLO CCO[C@H](C)c1nc(CN2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000535575789 1036690683 /nfs/dbraw/zinc/69/06/83/1036690683.db2.gz SBQLZKMVZTUIHL-CQSZACIVSA-N 1 2 346.500 3.712 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000541846428 1036695275 /nfs/dbraw/zinc/69/52/75/1036695275.db2.gz KFVPPFCELKGGAG-BDAKNGLRSA-N 1 2 332.395 3.931 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005677 1036697077 /nfs/dbraw/zinc/69/70/77/1036697077.db2.gz KBTSYYPAUAUJOH-UHFFFAOYSA-N 1 2 344.414 3.581 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000666275829 1036736622 /nfs/dbraw/zinc/73/66/22/1036736622.db2.gz QYDNONXPTQWAFF-QZTJIDSGSA-N 1 2 337.467 3.542 20 0 EHADLO Clc1cccc(Cl)c1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000539469291 1036786679 /nfs/dbraw/zinc/78/66/79/1036786679.db2.gz LGTHBZNMHMWPLK-UHFFFAOYSA-N 1 2 337.254 3.673 20 0 EHADLO Cc1ccc(Cl)c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)nc12 ZINC000539515816 1036842283 /nfs/dbraw/zinc/84/22/83/1036842283.db2.gz UPRMDQXRXTVAOZ-LBPRGKRZSA-N 1 2 340.814 3.594 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC000103242779 1036858730 /nfs/dbraw/zinc/85/87/30/1036858730.db2.gz GLODFQGWRYIMLG-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CC(C)c1cc(O[C@H]2C[NH2+]CC(F)(F)C2)ccc1Br ZINC001218277476 1036913149 /nfs/dbraw/zinc/91/31/49/1036913149.db2.gz GCTUVBRSDOTVHS-LLVKDONJSA-N 1 2 334.204 3.949 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H](c2ccco2)C1 ZINC000464859723 1036918667 /nfs/dbraw/zinc/91/86/67/1036918667.db2.gz YLMTUEJLLPJSMV-MLGOLLRUSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H](c2ccco2)C1 ZINC000464859723 1036918676 /nfs/dbraw/zinc/91/86/76/1036918676.db2.gz YLMTUEJLLPJSMV-MLGOLLRUSA-N 1 2 334.366 3.970 20 0 EHADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493233526 1036953721 /nfs/dbraw/zinc/95/37/21/1036953721.db2.gz YJPBKUJDYFMIQI-BQYQJAHWSA-N 1 2 337.345 3.579 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000590617131 1036969738 /nfs/dbraw/zinc/96/97/38/1036969738.db2.gz AHYADLZZJZHSIV-ZWKOTPCHSA-N 1 2 344.503 3.840 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177949851 1036973137 /nfs/dbraw/zinc/97/31/37/1036973137.db2.gz BFSMDKUJJDHNKK-GOSISDBHSA-N 1 2 336.439 3.545 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000464910825 1036977995 /nfs/dbraw/zinc/97/79/95/1036977995.db2.gz IAFAAHKXLPXCSY-HIFRSBDPSA-N 1 2 336.505 3.829 20 0 EHADLO CCc1ncc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000414366420 1037018948 /nfs/dbraw/zinc/01/89/48/1037018948.db2.gz BSOHRUCUSQXRHD-UHFFFAOYSA-N 1 2 343.858 3.787 20 0 EHADLO C[C@@H](C[N@@H+]1CCO[C@@H](CCF)C1)c1cccc(Br)c1 ZINC000628458299 1037031607 /nfs/dbraw/zinc/03/16/07/1037031607.db2.gz KWYZCNPHNHUVNC-WFASDCNBSA-N 1 2 330.241 3.613 20 0 EHADLO C[C@@H](C[N@H+]1CCO[C@@H](CCF)C1)c1cccc(Br)c1 ZINC000628458299 1037031622 /nfs/dbraw/zinc/03/16/22/1037031622.db2.gz KWYZCNPHNHUVNC-WFASDCNBSA-N 1 2 330.241 3.613 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000590730026 1037032221 /nfs/dbraw/zinc/03/22/21/1037032221.db2.gz HEMAFRQUGWWVED-KRWDZBQOSA-N 1 2 343.496 3.846 20 0 EHADLO CC(C)[C@H](C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178409381 1037039678 /nfs/dbraw/zinc/03/96/78/1037039678.db2.gz ZPBGLNDARUEEBR-MNEFBYGVSA-N 1 2 340.471 3.703 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)c1 ZINC000053147600 1037045870 /nfs/dbraw/zinc/04/58/70/1037045870.db2.gz GSEKDSFVRTUKSR-GOSISDBHSA-N 1 2 341.842 3.961 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)c2c([nH+]1)CCCC2 ZINC000892640852 1037048772 /nfs/dbraw/zinc/04/87/72/1037048772.db2.gz PICOLEXNBCHVRP-ZDUSSCGKSA-N 1 2 337.423 3.600 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1C1CC1 ZINC000590798813 1037062605 /nfs/dbraw/zinc/06/26/05/1037062605.db2.gz RACVCOYBOKOYBH-OAHLLOKOSA-N 1 2 334.489 3.535 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000666451403 1037062914 /nfs/dbraw/zinc/06/29/14/1037062914.db2.gz XOSYXZAIZLTCFZ-INIZCTEOSA-N 1 2 325.456 3.678 20 0 EHADLO O=C(Cc1cscn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456806 1037073468 /nfs/dbraw/zinc/07/34/68/1037073468.db2.gz WNLDSKLQYJAOAI-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO C[N@@H+]1CCc2ncnc(N[C@@H](c3cccc(F)c3)C3CCCC3)c2C1 ZINC000465051662 1037090341 /nfs/dbraw/zinc/09/03/41/1037090341.db2.gz SOFMVOYQOOQXIN-LJQANCHMSA-N 1 2 340.446 3.947 20 0 EHADLO C[N@H+]1CCc2ncnc(N[C@@H](c3cccc(F)c3)C3CCCC3)c2C1 ZINC000465051662 1037090363 /nfs/dbraw/zinc/09/03/63/1037090363.db2.gz SOFMVOYQOOQXIN-LJQANCHMSA-N 1 2 340.446 3.947 20 0 EHADLO C[C@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000539703902 1037093507 /nfs/dbraw/zinc/09/35/07/1037093507.db2.gz UTYBAGAZBVUFEP-QGZVFWFLSA-N 1 2 348.450 3.865 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000590884898 1037115490 /nfs/dbraw/zinc/11/54/90/1037115490.db2.gz TVYBVWAWXGSUIM-UHFFFAOYSA-N 1 2 346.515 3.864 20 0 EHADLO Fc1cccc(F)c1Cc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761561117 1037140692 /nfs/dbraw/zinc/14/06/92/1037140692.db2.gz NIXROHPVUNJCHA-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO Cc1ccccc1/C=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000493247746 1037195562 /nfs/dbraw/zinc/19/55/62/1037195562.db2.gz DSKLXTQFIAHJDB-ZHACJKMWSA-N 1 2 331.419 3.569 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000087293902 1037248055 /nfs/dbraw/zinc/24/80/55/1037248055.db2.gz RCAFEJPFVPAKHF-OAHLLOKOSA-N 1 2 344.434 3.782 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000542271122 1037249172 /nfs/dbraw/zinc/24/91/72/1037249172.db2.gz INDYFWJOROJFSB-GOSISDBHSA-N 1 2 340.471 3.509 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470957679 1037273561 /nfs/dbraw/zinc/27/35/61/1037273561.db2.gz YDNXXHZAYHRAQA-PWSUYJOCSA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470957679 1037273579 /nfs/dbraw/zinc/27/35/79/1037273579.db2.gz YDNXXHZAYHRAQA-PWSUYJOCSA-N 1 2 334.769 3.860 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)nn1 ZINC000669930906 1037296488 /nfs/dbraw/zinc/29/64/88/1037296488.db2.gz GVDPMPXQYZXLTK-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)nn1 ZINC000669930906 1037296501 /nfs/dbraw/zinc/29/65/01/1037296501.db2.gz GVDPMPXQYZXLTK-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000532452495 1037316631 /nfs/dbraw/zinc/31/66/31/1037316631.db2.gz BHBCOSIZKRBBIJ-FOIQADDNSA-N 1 2 349.434 3.632 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)ccc1O ZINC000177054199 1037344805 /nfs/dbraw/zinc/34/48/05/1037344805.db2.gz OZPNGCZSECGOJE-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)ccc1O ZINC000177054199 1037344824 /nfs/dbraw/zinc/34/48/24/1037344824.db2.gz OZPNGCZSECGOJE-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)on1 ZINC000646116688 1037351418 /nfs/dbraw/zinc/35/14/18/1037351418.db2.gz CIJIVGJDKBPASS-MAUKXSAKSA-N 1 2 337.423 3.703 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)on1 ZINC000646116688 1037351425 /nfs/dbraw/zinc/35/14/25/1037351425.db2.gz CIJIVGJDKBPASS-MAUKXSAKSA-N 1 2 337.423 3.703 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043358202 1037355726 /nfs/dbraw/zinc/35/57/26/1037355726.db2.gz HSXZBLVPPPXWDB-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669404796 1037374559 /nfs/dbraw/zinc/37/45/59/1037374559.db2.gz QAEUAYJLIKTIRH-CQSZACIVSA-N 1 2 330.457 3.782 20 0 EHADLO CCCCCOc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1OC ZINC000462787908 1037398124 /nfs/dbraw/zinc/39/81/24/1037398124.db2.gz MDTFNTJURVFJND-AWEZNQCLSA-N 1 2 329.444 3.958 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000493521582 1037421616 /nfs/dbraw/zinc/42/16/16/1037421616.db2.gz JFRGJFOPUIFTDV-WAYWQWQTSA-N 1 2 347.871 3.860 20 0 EHADLO CC(C)c1ccc(C(C)(C)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000591538556 1037479077 /nfs/dbraw/zinc/47/90/77/1037479077.db2.gz YTADKACJUIYKFI-UHFFFAOYSA-N 1 2 328.460 3.631 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1cn2c([nH+]1)CCCC2 ZINC000491479812 1037499880 /nfs/dbraw/zinc/49/98/80/1037499880.db2.gz SWOQEALYSPZHJL-BQYQJAHWSA-N 1 2 349.356 3.568 20 0 EHADLO Cc1cccc(C2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCCC2)c1 ZINC000540037595 1037503822 /nfs/dbraw/zinc/50/38/22/1037503822.db2.gz RHKGCQXINRNQFB-UHFFFAOYSA-N 1 2 346.434 3.775 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000491506879 1037513983 /nfs/dbraw/zinc/51/39/83/1037513983.db2.gz QKAWGEILWJGGFJ-ROFLEHJCSA-N 1 2 344.418 3.644 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431832262 1037514442 /nfs/dbraw/zinc/51/44/42/1037514442.db2.gz OYLIJTZEUURVIS-MRXNPFEDSA-N 1 2 348.491 3.565 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640153275 1037519042 /nfs/dbraw/zinc/51/90/42/1037519042.db2.gz ODZFLINTULFIMG-KBXCAEBGSA-N 1 2 332.394 3.646 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000007648046 1037520787 /nfs/dbraw/zinc/52/07/87/1037520787.db2.gz UUDKXLQWVIDSOA-IIBYNOLFSA-N 1 2 346.430 3.936 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000591597219 1037522142 /nfs/dbraw/zinc/52/21/42/1037522142.db2.gz AZVCCAFMCMTFBX-IAGOWNOFSA-N 1 2 332.492 3.788 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000532546750 1037604469 /nfs/dbraw/zinc/60/44/69/1037604469.db2.gz UHWLBSIHIQLGOX-INIZCTEOSA-N 1 2 348.450 3.673 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000532546750 1037604479 /nfs/dbraw/zinc/60/44/79/1037604479.db2.gz UHWLBSIHIQLGOX-INIZCTEOSA-N 1 2 348.450 3.673 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000026513231 1037611280 /nfs/dbraw/zinc/61/12/80/1037611280.db2.gz HTWKIPVNXJTVFI-LBPRGKRZSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)c1noc(-c2ccnc(NCc3ccn4cc[nH+]c4c3)c2)n1 ZINC000377998793 1037623127 /nfs/dbraw/zinc/62/31/27/1037623127.db2.gz XFUAFYOUTKEDNL-UHFFFAOYSA-N 1 2 334.383 3.515 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\SCc1ccco1 ZINC000493824927 1037657387 /nfs/dbraw/zinc/65/73/87/1037657387.db2.gz PAIMQILCQQTUIS-ZSOIEALJSA-N 1 2 347.484 3.724 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000493846928 1037662304 /nfs/dbraw/zinc/66/23/04/1037662304.db2.gz CBSWAGWSMRGTQU-MDZDMXLPSA-N 1 2 338.411 3.580 20 0 EHADLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cn1 ZINC000532574142 1037676613 /nfs/dbraw/zinc/67/66/13/1037676613.db2.gz FAEDLJCPEAHHSQ-MRXNPFEDSA-N 1 2 342.487 3.794 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cn1 ZINC000532574142 1037676621 /nfs/dbraw/zinc/67/66/21/1037676621.db2.gz FAEDLJCPEAHHSQ-MRXNPFEDSA-N 1 2 342.487 3.794 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)CCC2 ZINC000540219475 1037720531 /nfs/dbraw/zinc/72/05/31/1037720531.db2.gz HICSHKFOEQGWPF-CYBMUJFWSA-N 1 2 336.414 3.950 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000540219475 1037720540 /nfs/dbraw/zinc/72/05/40/1037720540.db2.gz HICSHKFOEQGWPF-CYBMUJFWSA-N 1 2 336.414 3.950 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H](c1ccccc1)C1CC1 ZINC000171602545 1037727025 /nfs/dbraw/zinc/72/70/25/1037727025.db2.gz VZNBOWMFZWULBD-LJQANCHMSA-N 1 2 338.455 3.724 20 0 EHADLO CC(C)n1cc([C@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000491866965 1037743387 /nfs/dbraw/zinc/74/33/87/1037743387.db2.gz MCKZRKDGRLBWQI-HWYHOQROSA-N 1 2 349.438 3.540 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cs1 ZINC000378036850 1037744171 /nfs/dbraw/zinc/74/41/71/1037744171.db2.gz HQUWZMMXPOCFRC-JTQLQIEISA-N 1 2 334.470 3.592 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000666640780 1037752808 /nfs/dbraw/zinc/75/28/08/1037752808.db2.gz VDZIDXDYOWKDDT-QZTJIDSGSA-N 1 2 341.499 3.905 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096487 1037816874 /nfs/dbraw/zinc/81/68/74/1037816874.db2.gz MAUHUZBSOBOSKM-AEFFLSMTSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096487 1037816896 /nfs/dbraw/zinc/81/68/96/1037816896.db2.gz MAUHUZBSOBOSKM-AEFFLSMTSA-N 1 2 336.426 3.653 20 0 EHADLO Cc1cc(C[NH+]2CCC(OCC3CC3)CC2)cnc1Br ZINC000929758055 1037832831 /nfs/dbraw/zinc/83/28/31/1037832831.db2.gz GCEHXELASUVBOX-UHFFFAOYSA-N 1 2 339.277 3.544 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000115848160 1037834101 /nfs/dbraw/zinc/83/41/01/1037834101.db2.gz IPCMDISWACDBLP-INIZCTEOSA-N 1 2 332.492 3.979 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2C1 ZINC000378085088 1037848306 /nfs/dbraw/zinc/84/83/06/1037848306.db2.gz NGQCOKLYUQGKGL-LBPRGKRZSA-N 1 2 329.469 3.616 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2C1 ZINC000378085088 1037848327 /nfs/dbraw/zinc/84/83/27/1037848327.db2.gz NGQCOKLYUQGKGL-LBPRGKRZSA-N 1 2 329.469 3.616 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000152533642 1037851540 /nfs/dbraw/zinc/85/15/40/1037851540.db2.gz CTDZJAKVDMBJNU-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000152533642 1037851560 /nfs/dbraw/zinc/85/15/60/1037851560.db2.gz CTDZJAKVDMBJNU-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1nc(C2CC2)no1 ZINC000925409018 1037883475 /nfs/dbraw/zinc/88/34/75/1037883475.db2.gz BNZCIRPZPLXMDC-LRDDRELGSA-N 1 2 329.448 3.916 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)s2)C[C@@H](C)O1 ZINC000666647065 1037902279 /nfs/dbraw/zinc/90/22/79/1037902279.db2.gz BQWJXUDANYBLPZ-CHWSQXEVSA-N 1 2 348.443 3.749 20 0 EHADLO CCCOc1cccc2c(NC3CCC(NC(C)=O)CC3)cc[nH+]c12 ZINC000492061260 1037927557 /nfs/dbraw/zinc/92/75/57/1037927557.db2.gz BMIAMIGBGUXURO-UHFFFAOYSA-N 1 2 341.455 3.883 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000913817537 1037970078 /nfs/dbraw/zinc/97/00/78/1037970078.db2.gz UGGNJAPFKMHZME-CQSZACIVSA-N 1 2 340.370 3.612 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1c(F)cccc1Cl ZINC000540475432 1037982362 /nfs/dbraw/zinc/98/23/62/1037982362.db2.gz IUWIZBGYBOUGAV-GFCCVEGCSA-N 1 2 326.843 3.826 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000592524735 1038022291 /nfs/dbraw/zinc/02/22/91/1038022291.db2.gz IOULMCLOEBOUQP-UHFFFAOYSA-N 1 2 339.863 3.989 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000336878382 1038025231 /nfs/dbraw/zinc/02/52/31/1038025231.db2.gz DWHOMIOEIZUURZ-IOASZLSFSA-N 1 2 347.484 3.708 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000336878382 1038025255 /nfs/dbraw/zinc/02/52/55/1038025255.db2.gz DWHOMIOEIZUURZ-IOASZLSFSA-N 1 2 347.484 3.708 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(C)c[nH+]1 ZINC000540528391 1038056002 /nfs/dbraw/zinc/05/60/02/1038056002.db2.gz MBGBLVVQTZVYGF-OAHLLOKOSA-N 1 2 345.830 3.809 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000592660695 1038082292 /nfs/dbraw/zinc/08/22/92/1038082292.db2.gz ILKMXDGAFFLHMU-FQEVSTJZSA-N 1 2 331.419 3.657 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000592782350 1038129298 /nfs/dbraw/zinc/12/92/98/1038129298.db2.gz BNBRMKXAHZDMIX-FQEVSTJZSA-N 1 2 331.419 3.657 20 0 EHADLO CCn1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000124172143 1038144927 /nfs/dbraw/zinc/14/49/27/1038144927.db2.gz BQCMREDJCVSMLL-DNVCBOLYSA-N 1 2 336.439 3.581 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651333078 1038204036 /nfs/dbraw/zinc/20/40/36/1038204036.db2.gz XRNRJUNECMZPCL-UHFFFAOYSA-N 1 2 345.874 3.853 20 0 EHADLO C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000125222213 1038295917 /nfs/dbraw/zinc/29/59/17/1038295917.db2.gz JPSUHJDCSBXLBD-AWEZNQCLSA-N 1 2 339.370 3.665 20 0 EHADLO CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000125280396 1038300388 /nfs/dbraw/zinc/30/03/88/1038300388.db2.gz MFTHIWRGRPREPR-IRXDYDNUSA-N 1 2 345.487 3.560 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(C(F)(F)F)CCCC1 ZINC000416187328 1038306192 /nfs/dbraw/zinc/30/61/92/1038306192.db2.gz FNKYLVJMTVZWMA-UHFFFAOYSA-N 1 2 337.345 3.611 20 0 EHADLO c1cc(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000378255574 1038309843 /nfs/dbraw/zinc/30/98/43/1038309843.db2.gz NOEZIJVOGSQVEF-HNNXBMFYSA-N 1 2 344.459 3.950 20 0 EHADLO c1cc(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000378255574 1038309856 /nfs/dbraw/zinc/30/98/56/1038309856.db2.gz NOEZIJVOGSQVEF-HNNXBMFYSA-N 1 2 344.459 3.950 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1csc([C@H]2CCCO2)n1 ZINC000125518596 1038339838 /nfs/dbraw/zinc/33/98/38/1038339838.db2.gz WMPNMSMXIKNATP-CQSZACIVSA-N 1 2 340.408 3.637 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659927307 1038350326 /nfs/dbraw/zinc/35/03/26/1038350326.db2.gz GHIIBHVJFHFBPN-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659927307 1038350338 /nfs/dbraw/zinc/35/03/38/1038350338.db2.gz GHIIBHVJFHFBPN-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1F ZINC000549409887 1038370452 /nfs/dbraw/zinc/37/04/52/1038370452.db2.gz RJZAMWMZDLPQQA-IBGZPJMESA-N 1 2 349.352 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1F ZINC000549409887 1038370465 /nfs/dbraw/zinc/37/04/65/1038370465.db2.gz RJZAMWMZDLPQQA-IBGZPJMESA-N 1 2 349.352 3.822 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461380370 1038376717 /nfs/dbraw/zinc/37/67/17/1038376717.db2.gz SZUIEJNFECSKTL-HNNXBMFYSA-N 1 2 342.405 3.573 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461380370 1038376734 /nfs/dbraw/zinc/37/67/34/1038376734.db2.gz SZUIEJNFECSKTL-HNNXBMFYSA-N 1 2 342.405 3.573 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632482 1038440988 /nfs/dbraw/zinc/44/09/88/1038440988.db2.gz LOFDAGGNCSKNQL-GFCCVEGCSA-N 1 2 342.405 3.715 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632482 1038440993 /nfs/dbraw/zinc/44/09/93/1038440993.db2.gz LOFDAGGNCSKNQL-GFCCVEGCSA-N 1 2 342.405 3.715 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)[nH+]c12 ZINC000538696195 1038472757 /nfs/dbraw/zinc/47/27/57/1038472757.db2.gz KTYFQHZPCHNFIQ-XOBRGWDASA-N 1 2 333.435 3.625 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CC2)CC1 ZINC000378328303 1038472890 /nfs/dbraw/zinc/47/28/90/1038472890.db2.gz WARQSYIUBJBJPJ-LBPRGKRZSA-N 1 2 337.261 3.652 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000538723770 1038493202 /nfs/dbraw/zinc/49/32/02/1038493202.db2.gz YRYPTPQORPKYPB-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000538723770 1038493206 /nfs/dbraw/zinc/49/32/06/1038493206.db2.gz YRYPTPQORPKYPB-LBPRGKRZSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1ccnc(C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)n1 ZINC000363807789 1038505360 /nfs/dbraw/zinc/50/53/60/1038505360.db2.gz ZKNFUEBOPQEBSL-UHFFFAOYSA-N 1 2 340.452 3.881 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000728748219 1038614390 /nfs/dbraw/zinc/61/43/90/1038614390.db2.gz CZEILYCJSAPHDH-RTBURBONSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@H](CC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000552028564 1038628218 /nfs/dbraw/zinc/62/82/18/1038628218.db2.gz SIJPXXZGQQMGLL-OLZOCXBDSA-N 1 2 328.441 3.664 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@](CO)(c2ccccc2)C1 ZINC000461930641 1038681530 /nfs/dbraw/zinc/68/15/30/1038681530.db2.gz HPHUDMCZSSGWOG-JOCHJYFZSA-N 1 2 348.446 3.692 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000660005031 1038684868 /nfs/dbraw/zinc/68/48/68/1038684868.db2.gz LJMVPOQGZCSKKT-INIZCTEOSA-N 1 2 335.494 3.922 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000660005031 1038684874 /nfs/dbraw/zinc/68/48/74/1038684874.db2.gz LJMVPOQGZCSKKT-INIZCTEOSA-N 1 2 335.494 3.922 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462062615 1038739031 /nfs/dbraw/zinc/73/90/31/1038739031.db2.gz SWZQURIXPQRVIS-MRXNPFEDSA-N 1 2 334.341 3.918 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000462062615 1038739041 /nfs/dbraw/zinc/73/90/41/1038739041.db2.gz SWZQURIXPQRVIS-MRXNPFEDSA-N 1 2 334.341 3.918 20 0 EHADLO Cn1c(C[NH2+]Cc2ccsc2Br)nc2ccccc21 ZINC000337869100 1038782364 /nfs/dbraw/zinc/78/23/64/1038782364.db2.gz PXHXXSXEBNNMFC-UHFFFAOYSA-N 1 2 336.258 3.687 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](CC)Cc2cccc(Br)c2)[nH]1 ZINC000659856573 1038795065 /nfs/dbraw/zinc/79/50/65/1038795065.db2.gz FEXXZCSESUQMKA-LLVKDONJSA-N 1 2 337.265 3.713 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](CC)Cc2cccc(Br)c2)[nH]1 ZINC000659856573 1038795081 /nfs/dbraw/zinc/79/50/81/1038795081.db2.gz FEXXZCSESUQMKA-LLVKDONJSA-N 1 2 337.265 3.713 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000667566756 1038829354 /nfs/dbraw/zinc/82/93/54/1038829354.db2.gz GVVFZQJFBPOJLU-UHFFFAOYSA-N 1 2 345.409 3.753 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651398159 1038843706 /nfs/dbraw/zinc/84/37/06/1038843706.db2.gz INHSCUOSNRUZSP-RDTXWAMCSA-N 1 2 341.430 3.511 20 0 EHADLO Cn1cc(CNc2ccc(N3CCCC3)[nH+]c2)c(C2CCCC2)n1 ZINC000905406620 1038865718 /nfs/dbraw/zinc/86/57/18/1038865718.db2.gz XWUMDVZCFKJCJW-UHFFFAOYSA-N 1 2 325.460 3.685 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000539377922 1038867819 /nfs/dbraw/zinc/86/78/19/1038867819.db2.gz ZEQKSQNAQPNKAR-OLZOCXBDSA-N 1 2 326.843 3.921 20 0 EHADLO Cc1[nH+]c(NCc2nccc3c2CCCC3)ccc1-c1cnn(C)c1 ZINC000905414396 1038870546 /nfs/dbraw/zinc/87/05/46/1038870546.db2.gz LLHOPNFEWSWJTG-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000488127975 1038885718 /nfs/dbraw/zinc/88/57/18/1038885718.db2.gz PICQYMCCENAYIG-QGZVFWFLSA-N 1 2 348.441 3.778 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000488127975 1038885736 /nfs/dbraw/zinc/88/57/36/1038885736.db2.gz PICQYMCCENAYIG-QGZVFWFLSA-N 1 2 348.441 3.778 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000363921059 1038947031 /nfs/dbraw/zinc/94/70/31/1038947031.db2.gz KMJMKGAJYOPAJY-HNNXBMFYSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000363921059 1038947041 /nfs/dbraw/zinc/94/70/41/1038947041.db2.gz KMJMKGAJYOPAJY-HNNXBMFYSA-N 1 2 328.441 3.782 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC3 ZINC000485355970 1038947918 /nfs/dbraw/zinc/94/79/18/1038947918.db2.gz JNFCXGHCNWFWTI-KBPBESRZSA-N 1 2 328.456 3.653 20 0 EHADLO CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC1(C)C ZINC000416738294 1038962175 /nfs/dbraw/zinc/96/21/75/1038962175.db2.gz QEWRTWROFCUTHP-ROUUACIJSA-N 1 2 346.519 3.910 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3CC)c2C1 ZINC000488253799 1039009935 /nfs/dbraw/zinc/00/99/35/1039009935.db2.gz LQDUVAWTFCKDKS-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3CC)c2C1 ZINC000488253799 1039009950 /nfs/dbraw/zinc/00/99/50/1039009950.db2.gz LQDUVAWTFCKDKS-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2cccc(-n3cccn3)c2)no1)n1cc[nH+]c1 ZINC000923890237 1039029647 /nfs/dbraw/zinc/02/96/47/1039029647.db2.gz XZOURCMMOIBTJM-KRWDZBQOSA-N 1 2 348.410 3.754 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCSC4(CCC4)CC3)ccc2[nH+]1 ZINC000416792294 1039036430 /nfs/dbraw/zinc/03/64/30/1039036430.db2.gz LKDWCRHLHHJNFM-UHFFFAOYSA-N 1 2 330.457 3.536 20 0 EHADLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000818036768 1039054169 /nfs/dbraw/zinc/05/41/69/1039054169.db2.gz DHWJEPUOGGVJMT-JTQLQIEISA-N 1 2 334.153 3.756 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1c(F)cncc1F ZINC000552205364 1039057483 /nfs/dbraw/zinc/05/74/83/1039057483.db2.gz GSVXHMZUNYOMIM-MRVPVSSYSA-N 1 2 326.730 3.593 20 0 EHADLO CC(C)[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488310970 1039075790 /nfs/dbraw/zinc/07/57/90/1039075790.db2.gz HFQNNPAPMJPKAL-HXUWFJFHSA-N 1 2 326.440 3.517 20 0 EHADLO CC(C)[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000488310970 1039075806 /nfs/dbraw/zinc/07/58/06/1039075806.db2.gz HFQNNPAPMJPKAL-HXUWFJFHSA-N 1 2 326.440 3.517 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C(F)(F)F)c1 ZINC000910813661 1039092500 /nfs/dbraw/zinc/09/25/00/1039092500.db2.gz XMWUCMQLXKLLFV-GFCCVEGCSA-N 1 2 337.345 3.517 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000924733145 1039092449 /nfs/dbraw/zinc/09/24/49/1039092449.db2.gz CZXBXEKSQWZRAT-VIFPVBQESA-N 1 2 343.374 3.750 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)c1C ZINC000488334073 1039094656 /nfs/dbraw/zinc/09/46/56/1039094656.db2.gz NLJYMPHIFQCNEV-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)c1C ZINC000488334073 1039094677 /nfs/dbraw/zinc/09/46/77/1039094677.db2.gz NLJYMPHIFQCNEV-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@H]2CC2(C)C)C[C@@H](C)O1 ZINC000488353082 1039114678 /nfs/dbraw/zinc/11/46/78/1039114678.db2.gz OOFPDUCOFNMXMJ-RKVPGOIHSA-N 1 2 345.487 3.558 20 0 EHADLO CC(=O)c1c(C)cc(C)c(Cn2cc(C[N@@H+](C)C(C)(C)C)nn2)c1C ZINC000905786325 1039116462 /nfs/dbraw/zinc/11/64/62/1039116462.db2.gz GDJBLPBLABCBCJ-UHFFFAOYSA-N 1 2 342.487 3.685 20 0 EHADLO CC(=O)c1c(C)cc(C)c(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)c1C ZINC000905786325 1039116476 /nfs/dbraw/zinc/11/64/76/1039116476.db2.gz GDJBLPBLABCBCJ-UHFFFAOYSA-N 1 2 342.487 3.685 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000067400668 1039125168 /nfs/dbraw/zinc/12/51/68/1039125168.db2.gz UABVUGZSWWXESL-QGZVFWFLSA-N 1 2 349.862 3.792 20 0 EHADLO CCCCCC[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000905896722 1039170037 /nfs/dbraw/zinc/17/00/37/1039170037.db2.gz LGFSXUSZUBQTPZ-MAUKXSAKSA-N 1 2 333.451 3.570 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(Br)cc(F)c1O ZINC000185698011 1039183840 /nfs/dbraw/zinc/18/38/40/1039183840.db2.gz CDONFFQHEJUGFD-WPRPVWTQSA-N 1 2 334.254 3.840 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)c2cccc(OC)n2)C12CCCC2 ZINC000552335240 1039191804 /nfs/dbraw/zinc/19/18/04/1039191804.db2.gz MIPMQJNNITXKAE-LSDHHAIUSA-N 1 2 340.414 3.509 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000552336799 1039209858 /nfs/dbraw/zinc/20/98/58/1039209858.db2.gz KBHCAXKYSDKVIU-FVQBIDKESA-N 1 2 332.394 3.964 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000488495538 1039215760 /nfs/dbraw/zinc/21/57/60/1039215760.db2.gz PMHDDGGSLQWUQZ-AWEZNQCLSA-N 1 2 332.394 3.838 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000488495538 1039215772 /nfs/dbraw/zinc/21/57/72/1039215772.db2.gz PMHDDGGSLQWUQZ-AWEZNQCLSA-N 1 2 332.394 3.838 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)[nH]1 ZINC000488489139 1039224172 /nfs/dbraw/zinc/22/41/72/1039224172.db2.gz SLOXZOBBWIFLSJ-CUSZFKRNSA-N 1 2 341.503 3.804 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000488498961 1039241876 /nfs/dbraw/zinc/24/18/76/1039241876.db2.gz XSEAQQIFKLOCQD-AWEZNQCLSA-N 1 2 344.405 3.765 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000488498961 1039241894 /nfs/dbraw/zinc/24/18/94/1039241894.db2.gz XSEAQQIFKLOCQD-AWEZNQCLSA-N 1 2 344.405 3.765 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000660122078 1039247198 /nfs/dbraw/zinc/24/71/98/1039247198.db2.gz YCVJMKYYGVTLEW-CQSZACIVSA-N 1 2 329.419 3.570 20 0 EHADLO COCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)s1 ZINC001139827485 1039282523 /nfs/dbraw/zinc/28/25/23/1039282523.db2.gz YSCBRXFTCZMDKH-OAHLLOKOSA-N 1 2 325.474 3.591 20 0 EHADLO COCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)s1 ZINC001139827485 1039282536 /nfs/dbraw/zinc/28/25/36/1039282536.db2.gz YSCBRXFTCZMDKH-OAHLLOKOSA-N 1 2 325.474 3.591 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000552424340 1039288876 /nfs/dbraw/zinc/28/88/76/1039288876.db2.gz WSVATOOLPHFAQC-YADHBBJMSA-N 1 2 349.478 3.993 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000552424340 1039288886 /nfs/dbraw/zinc/28/88/86/1039288886.db2.gz WSVATOOLPHFAQC-YADHBBJMSA-N 1 2 349.478 3.993 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC000488631343 1039307024 /nfs/dbraw/zinc/30/70/24/1039307024.db2.gz UFWBZWBPJQCYCH-UHFFFAOYSA-N 1 2 349.456 3.876 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC000488631343 1039307048 /nfs/dbraw/zinc/30/70/48/1039307048.db2.gz UFWBZWBPJQCYCH-UHFFFAOYSA-N 1 2 349.456 3.876 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1nnc2ccccn21 ZINC000480230455 1039312512 /nfs/dbraw/zinc/31/25/12/1039312512.db2.gz QYPMYZWOEUNQNS-DOMZBBRYSA-N 1 2 329.835 3.970 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCc1ccccc1)c1ccccc1 ZINC000667313249 1039336141 /nfs/dbraw/zinc/33/61/41/1039336141.db2.gz OOXWVHSXQSLQMP-LJQANCHMSA-N 1 2 345.446 3.721 20 0 EHADLO CC(C)C[C@H](c1nc(-c2ccccc2-n2cccn2)no1)n1cc[nH+]c1 ZINC000923872728 1039367613 /nfs/dbraw/zinc/36/76/13/1039367613.db2.gz LBGWMIUDCJHXKL-QGZVFWFLSA-N 1 2 348.410 3.754 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651726 1039384995 /nfs/dbraw/zinc/38/49/95/1039384995.db2.gz GDWXSGAJCJMRJW-RBUKOAKNSA-N 1 2 337.467 3.775 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)CO1 ZINC000512479172 1039396105 /nfs/dbraw/zinc/39/61/05/1039396105.db2.gz FYSVYWSGAQTKKH-BEFAXECRSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)CO1 ZINC000512479172 1039396117 /nfs/dbraw/zinc/39/61/17/1039396117.db2.gz FYSVYWSGAQTKKH-BEFAXECRSA-N 1 2 327.399 3.861 20 0 EHADLO CN(CCC(C)(C)C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911524770 1039405362 /nfs/dbraw/zinc/40/53/62/1039405362.db2.gz IDASNWMNBHYCKP-UHFFFAOYSA-N 1 2 328.460 3.503 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1OCCC(C)C ZINC000485691986 1039411594 /nfs/dbraw/zinc/41/15/94/1039411594.db2.gz FDEBPVLNKPPGCD-HXUWFJFHSA-N 1 2 333.472 3.731 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1OCCC(C)C ZINC000485691986 1039411605 /nfs/dbraw/zinc/41/16/05/1039411605.db2.gz FDEBPVLNKPPGCD-HXUWFJFHSA-N 1 2 333.472 3.731 20 0 EHADLO Cc1cccc(Cl)c1CC(=O)NCCCCNc1cccc[nH+]1 ZINC000488847083 1039431560 /nfs/dbraw/zinc/43/15/60/1039431560.db2.gz XNNUHMUDQBSXSP-UHFFFAOYSA-N 1 2 331.847 3.594 20 0 EHADLO Cn1c(C[NH2+]Cc2c(F)cccc2N2CCCC2)nc2ccccc21 ZINC000237859740 1039441141 /nfs/dbraw/zinc/44/11/41/1039441141.db2.gz IIYKAKCMCGYBJD-UHFFFAOYSA-N 1 2 338.430 3.602 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000408408086 1039441549 /nfs/dbraw/zinc/44/15/49/1039441549.db2.gz NRIPUXOURORNNH-HNNXBMFYSA-N 1 2 327.432 3.716 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000044138992 1039447137 /nfs/dbraw/zinc/44/71/37/1039447137.db2.gz XHEGGUNXMPREJZ-SECBINFHSA-N 1 2 329.256 3.565 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCCC[C@@H]12 ZINC000554537987 1039453339 /nfs/dbraw/zinc/45/33/39/1039453339.db2.gz VPXNCUTVBOPQJY-UXPWSPDFSA-N 1 2 337.467 3.972 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)nn2)cc1 ZINC000906296309 1039455649 /nfs/dbraw/zinc/45/56/49/1039455649.db2.gz KKBNWVHLZHFITD-OXJNMPFZSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)nn2)cc1 ZINC000906296309 1039455659 /nfs/dbraw/zinc/45/56/59/1039455659.db2.gz KKBNWVHLZHFITD-OXJNMPFZSA-N 1 2 333.439 3.554 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542427 1039459631 /nfs/dbraw/zinc/45/96/31/1039459631.db2.gz QMNZJAVVQBCBHU-DOTOQJQBSA-N 1 2 341.459 3.759 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@H+](Cc3cn(C4CC4)nn3)C2)c1 ZINC000906304932 1039461633 /nfs/dbraw/zinc/46/16/33/1039461633.db2.gz XWYMJLHAPZEULS-MRXNPFEDSA-N 1 2 334.876 3.633 20 0 EHADLO Clc1cccc(S[C@@H]2CC[N@@H+](Cc3cn(C4CC4)nn3)C2)c1 ZINC000906304932 1039461644 /nfs/dbraw/zinc/46/16/44/1039461644.db2.gz XWYMJLHAPZEULS-MRXNPFEDSA-N 1 2 334.876 3.633 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485758966 1039500434 /nfs/dbraw/zinc/50/04/34/1039500434.db2.gz BHANIVBXHAJMTF-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485758966 1039500443 /nfs/dbraw/zinc/50/04/43/1039500443.db2.gz BHANIVBXHAJMTF-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccccn2)Cc2ccccc2C)c(C)n1 ZINC000569127303 1039508354 /nfs/dbraw/zinc/50/83/54/1039508354.db2.gz BSICXZISDDIJLD-UHFFFAOYSA-N 1 2 348.450 3.699 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccccn2)Cc2ccccc2C)c(C)n1 ZINC000569127303 1039508368 /nfs/dbraw/zinc/50/83/68/1039508368.db2.gz BSICXZISDDIJLD-UHFFFAOYSA-N 1 2 348.450 3.699 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@]2(C)CCCc3ccccc32)n1 ZINC000432836822 1039513660 /nfs/dbraw/zinc/51/36/60/1039513660.db2.gz WRJZGIYIBYUHKV-INIZCTEOSA-N 1 2 334.261 3.524 20 0 EHADLO CC(C)CCc1noc(C[NH2+]C(C)(C)COCc2ccccc2)n1 ZINC000500824649 1039547693 /nfs/dbraw/zinc/54/76/93/1039547693.db2.gz XTBKSBKWAUOXPE-UHFFFAOYSA-N 1 2 331.460 3.743 20 0 EHADLO Cc1cccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1Cl ZINC000489076336 1039593444 /nfs/dbraw/zinc/59/34/44/1039593444.db2.gz MFTNZYALEOCQOS-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667686839 1039636732 /nfs/dbraw/zinc/63/67/32/1039636732.db2.gz SPGYVOLXBUVIHD-INIZCTEOSA-N 1 2 331.847 3.600 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667686839 1039636738 /nfs/dbraw/zinc/63/67/38/1039636738.db2.gz SPGYVOLXBUVIHD-INIZCTEOSA-N 1 2 331.847 3.600 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899584 1039673439 /nfs/dbraw/zinc/67/34/39/1039673439.db2.gz LZOFYWCBQKPPJU-LBPRGKRZSA-N 1 2 337.876 3.569 20 0 EHADLO CC(C)(CNC(=O)CCSc1ccccc1Cl)n1cc[nH+]c1 ZINC000898899110 1039674248 /nfs/dbraw/zinc/67/42/48/1039674248.db2.gz HVWLCOMNIFQJQE-UHFFFAOYSA-N 1 2 337.876 3.570 20 0 EHADLO C[C@H]1CCC[C@H](OCCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904547 1039690637 /nfs/dbraw/zinc/69/06/37/1039690637.db2.gz HKVNNYAMTVBMKP-ROUUACIJSA-N 1 2 349.519 3.890 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898906961 1039694114 /nfs/dbraw/zinc/69/41/14/1039694114.db2.gz LZNMOXQVOVLILY-MRXNPFEDSA-N 1 2 343.471 3.717 20 0 EHADLO Fc1ccc2c(c1F)C[N@@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000667707101 1039754927 /nfs/dbraw/zinc/75/49/27/1039754927.db2.gz PYOJFPSWEFCOSF-QGZVFWFLSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1ccc2c(c1F)C[N@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000667707101 1039754944 /nfs/dbraw/zinc/75/49/44/1039754944.db2.gz PYOJFPSWEFCOSF-QGZVFWFLSA-N 1 2 345.389 3.691 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000912307807 1039804745 /nfs/dbraw/zinc/80/47/45/1039804745.db2.gz NRKKVTUYKMIYIE-HNNXBMFYSA-N 1 2 328.460 3.550 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2F)cc1F ZINC000893909883 1039814615 /nfs/dbraw/zinc/81/46/15/1039814615.db2.gz VTXOYBPHSZAISJ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2F)cc1F ZINC000893909883 1039814637 /nfs/dbraw/zinc/81/46/37/1039814637.db2.gz VTXOYBPHSZAISJ-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COCc1nc(CNc2c(Cl)c[nH+]c3ccc(OC)cc32)cs1 ZINC000893914489 1039819936 /nfs/dbraw/zinc/81/99/36/1039819936.db2.gz WGOOIOLWWMGBOB-UHFFFAOYSA-N 1 2 349.843 3.534 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1ccc2ccc(Cl)nc2n1)n1cc[nH+]c1 ZINC000898992372 1039823318 /nfs/dbraw/zinc/82/33/18/1039823318.db2.gz VKQJAJBJECJTRY-ZDUSSCGKSA-N 1 2 343.818 3.706 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c(C)[nH+]1 ZINC000906943929 1039833140 /nfs/dbraw/zinc/83/31/40/1039833140.db2.gz DCVVEVUUPPSSLC-UHFFFAOYSA-N 1 2 330.378 3.600 20 0 EHADLO Cc1ccc(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1O ZINC000486057608 1039835982 /nfs/dbraw/zinc/83/59/82/1039835982.db2.gz BJBBOLSZCUPPLK-UHFFFAOYSA-N 1 2 346.390 3.586 20 0 EHADLO CCCC1CCC(N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000478934368 1039843606 /nfs/dbraw/zinc/84/36/06/1039843606.db2.gz YOVZLIGKDDIKBL-UHFFFAOYSA-N 1 2 346.519 3.762 20 0 EHADLO Clc1ccc([C@@H](NCC[NH+]2CCC2)c2cccnc2)c(Cl)c1 ZINC000925606449 1039859983 /nfs/dbraw/zinc/85/99/83/1039859983.db2.gz JORBHKLQZUQOMA-KRWDZBQOSA-N 1 2 336.266 3.773 20 0 EHADLO CC[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@]2(CCOC2)O1 ZINC000553209662 1039868265 /nfs/dbraw/zinc/86/82/65/1039868265.db2.gz UQWOJIJZZWFTDI-SCLBCKFNSA-N 1 2 332.831 3.663 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000119121117 1039909690 /nfs/dbraw/zinc/90/96/90/1039909690.db2.gz WHMFUVMPHIBAHH-INMHGKMJSA-N 1 2 341.455 3.601 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnc(F)cc3C)n2)cc1 ZINC000893977305 1039915200 /nfs/dbraw/zinc/91/52/00/1039915200.db2.gz WYGGPPKPAHYWLQ-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1cc(C)c(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000893990826 1039924975 /nfs/dbraw/zinc/92/49/75/1039924975.db2.gz JTEPWGMTEULOKX-QGZVFWFLSA-N 1 2 339.464 3.662 20 0 EHADLO Cc1cc(OCC(=O)NCc2ccc(C)c(F)c2)c2ccccc2[nH+]1 ZINC000486192594 1039954695 /nfs/dbraw/zinc/95/46/95/1039954695.db2.gz LCFJRRFVGZPMLA-UHFFFAOYSA-N 1 2 338.382 3.686 20 0 EHADLO COc1ccnc([C@H](C)[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000924749158 1039998632 /nfs/dbraw/zinc/99/86/32/1039998632.db2.gz FOGCGGYTZULGMI-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)n1 ZINC000907314442 1040011523 /nfs/dbraw/zinc/01/15/23/1040011523.db2.gz NGVFFYCXDVVGAP-UHFFFAOYSA-N 1 2 340.471 3.536 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC(C)(C)C1)C2 ZINC000570493161 1040037097 /nfs/dbraw/zinc/03/70/97/1040037097.db2.gz WAQIEUUWFRFOLX-GJZGRUSLSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC(C)(C)C1)CC2 ZINC000570493161 1040037115 /nfs/dbraw/zinc/03/71/15/1040037115.db2.gz WAQIEUUWFRFOLX-GJZGRUSLSA-N 1 2 331.504 3.971 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000907419745 1040051109 /nfs/dbraw/zinc/05/11/09/1040051109.db2.gz BQXBJELYFDGKNT-AWEZNQCLSA-N 1 2 349.356 3.528 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540396 1040060634 /nfs/dbraw/zinc/06/06/34/1040060634.db2.gz VPTFTJYFMOGQIU-FZQKWOKYSA-N 1 2 348.796 3.632 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540396 1040060641 /nfs/dbraw/zinc/06/06/41/1040060641.db2.gz VPTFTJYFMOGQIU-FZQKWOKYSA-N 1 2 348.796 3.632 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2ccc(-c3cccc(Cl)c3)s2)nn1 ZINC000668605512 1040063783 /nfs/dbraw/zinc/06/37/83/1040063783.db2.gz RUHDWWXVTZSVMY-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3cccc(Cl)c3)s2)nn1 ZINC000668605512 1040063800 /nfs/dbraw/zinc/06/38/00/1040063800.db2.gz RUHDWWXVTZSVMY-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161927978 1040091726 /nfs/dbraw/zinc/09/17/26/1040091726.db2.gz YMWDSLLNNRAERP-SUMWQHHRSA-N 1 2 331.847 3.612 20 0 EHADLO O[C@H](Cc1ccccc1)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000489619002 1040094285 /nfs/dbraw/zinc/09/42/85/1040094285.db2.gz FMNDILLQOMWOBZ-MRXNPFEDSA-N 1 2 340.854 3.783 20 0 EHADLO O[C@H](Cc1ccccc1)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000489619002 1040094293 /nfs/dbraw/zinc/09/42/93/1040094293.db2.gz FMNDILLQOMWOBZ-MRXNPFEDSA-N 1 2 340.854 3.783 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907812320 1040180736 /nfs/dbraw/zinc/18/07/36/1040180736.db2.gz XMLUNFPMDRJAAX-FMPTWSOUSA-N 1 2 341.499 3.723 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907812320 1040180751 /nfs/dbraw/zinc/18/07/51/1040180751.db2.gz XMLUNFPMDRJAAX-FMPTWSOUSA-N 1 2 341.499 3.723 20 0 EHADLO Cc1c([C@H]2OCC[C@@H]2Nc2cc[nH+]c3c(Cl)cccc23)cnn1C ZINC000553541118 1040182204 /nfs/dbraw/zinc/18/22/04/1040182204.db2.gz SIXKONXAVYZWGR-FUHWJXTLSA-N 1 2 342.830 3.872 20 0 EHADLO CSC1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000907816190 1040183031 /nfs/dbraw/zinc/18/30/31/1040183031.db2.gz RNYLFLCVIOLESO-CQSZACIVSA-N 1 2 347.528 3.717 20 0 EHADLO CSC1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000907816190 1040183043 /nfs/dbraw/zinc/18/30/43/1040183043.db2.gz RNYLFLCVIOLESO-CQSZACIVSA-N 1 2 347.528 3.717 20 0 EHADLO CS[C@H](C)CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816480 1040185937 /nfs/dbraw/zinc/18/59/37/1040185937.db2.gz UMMLWLJZOQXOBT-HIFRSBDPSA-N 1 2 349.544 3.963 20 0 EHADLO CS[C@H](C)CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816480 1040185944 /nfs/dbraw/zinc/18/59/44/1040185944.db2.gz UMMLWLJZOQXOBT-HIFRSBDPSA-N 1 2 349.544 3.963 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCC1 ZINC000660270268 1040190207 /nfs/dbraw/zinc/19/02/07/1040190207.db2.gz SIEQZUBFVFJOEE-YOEHRIQHSA-N 1 2 329.444 3.516 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cncc(F)c1 ZINC000489764371 1040197671 /nfs/dbraw/zinc/19/76/71/1040197671.db2.gz OEAFXACKAAHYDW-UHFFFAOYSA-N 1 2 346.409 3.961 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC=C(C)C)c2C1 ZINC000480957131 1040224148 /nfs/dbraw/zinc/22/41/48/1040224148.db2.gz GQIHHKDCUXMONO-UHFFFAOYSA-N 1 2 337.467 3.699 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC=C(C)C)c2C1 ZINC000480957131 1040224161 /nfs/dbraw/zinc/22/41/61/1040224161.db2.gz GQIHHKDCUXMONO-UHFFFAOYSA-N 1 2 337.467 3.699 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555160420 1040244792 /nfs/dbraw/zinc/24/47/92/1040244792.db2.gz DINVJXJYXNEIHI-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO CCC[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000669019355 1040258331 /nfs/dbraw/zinc/25/83/31/1040258331.db2.gz UENIBLNVJCQJAF-PBHICJAKSA-N 1 2 333.863 3.873 20 0 EHADLO CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000667493961 1040268851 /nfs/dbraw/zinc/26/88/51/1040268851.db2.gz JFJWLHZKVZVMGE-CGTJXYLNSA-N 1 2 325.456 3.914 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000908070892 1040286344 /nfs/dbraw/zinc/28/63/44/1040286344.db2.gz GAUYNZRNPANXNG-DOMZBBRYSA-N 1 2 327.255 3.663 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120005189 1040350055 /nfs/dbraw/zinc/35/00/55/1040350055.db2.gz FDAQGPBAEBDZCZ-ZACQAIPSSA-N 1 2 346.519 3.599 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000448562854 1040357123 /nfs/dbraw/zinc/35/71/23/1040357123.db2.gz DWHKOYZJMCJXPW-JXMROGBWSA-N 1 2 336.426 3.525 20 0 EHADLO CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@H](C)C(C)C ZINC000908273677 1040378879 /nfs/dbraw/zinc/37/88/79/1040378879.db2.gz CGTDRQKUMDMQOC-MRXNPFEDSA-N 1 2 328.460 3.502 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3cnc(C4CC4)s3)CC23CCOCC3)c1 ZINC000668673177 1040386749 /nfs/dbraw/zinc/38/67/49/1040386749.db2.gz JRJIXNQETOVHEM-INIZCTEOSA-N 1 2 330.453 3.967 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3cnc(C4CC4)s3)CC23CCOCC3)c1 ZINC000668673177 1040386760 /nfs/dbraw/zinc/38/67/60/1040386760.db2.gz JRJIXNQETOVHEM-INIZCTEOSA-N 1 2 330.453 3.967 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000417985671 1040418962 /nfs/dbraw/zinc/41/89/62/1040418962.db2.gz FWURNNCMBPGVIN-ZDUSSCGKSA-N 1 2 335.835 3.584 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000553801136 1040445348 /nfs/dbraw/zinc/44/53/48/1040445348.db2.gz JJLBHEYXEGAOQT-KRWDZBQOSA-N 1 2 346.402 3.912 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668682077 1040447775 /nfs/dbraw/zinc/44/77/75/1040447775.db2.gz VIMJHERYKRQPOS-OAHLLOKOSA-N 1 2 331.847 3.536 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1OC ZINC000555368183 1040488854 /nfs/dbraw/zinc/48/88/54/1040488854.db2.gz MOKTUECKCYPOCM-IBGZPJMESA-N 1 2 333.378 3.914 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1OC ZINC000555368183 1040488861 /nfs/dbraw/zinc/48/88/61/1040488861.db2.gz MOKTUECKCYPOCM-IBGZPJMESA-N 1 2 333.378 3.914 20 0 EHADLO O=S(=O)(CC[N@H+](Cc1ccccc1)C1CC1)c1ccc(Cl)cc1 ZINC000043643184 1040493078 /nfs/dbraw/zinc/49/30/78/1040493078.db2.gz DAHBZIQKEBQQDY-UHFFFAOYSA-N 1 2 349.883 3.778 20 0 EHADLO O=S(=O)(CC[N@@H+](Cc1ccccc1)C1CC1)c1ccc(Cl)cc1 ZINC000043643184 1040493084 /nfs/dbraw/zinc/49/30/84/1040493084.db2.gz DAHBZIQKEBQQDY-UHFFFAOYSA-N 1 2 349.883 3.778 20 0 EHADLO COc1cccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1F ZINC000192959731 1040504341 /nfs/dbraw/zinc/50/43/41/1040504341.db2.gz GMGXYGFTWFRGPH-ZLOXQWCVSA-N 1 2 335.444 3.765 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1F ZINC000192959731 1040504360 /nfs/dbraw/zinc/50/43/60/1040504360.db2.gz GMGXYGFTWFRGPH-ZLOXQWCVSA-N 1 2 335.444 3.765 20 0 EHADLO Fc1cccc(NC(=S)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000899457721 1040528390 /nfs/dbraw/zinc/52/83/90/1040528390.db2.gz QMFTZOXANFURBM-UHFFFAOYSA-N 1 2 344.459 3.698 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000433041383 1040530008 /nfs/dbraw/zinc/53/00/08/1040530008.db2.gz WGLLDSKKORKHMC-KDOFPFPSSA-N 1 2 346.858 3.603 20 0 EHADLO C/C(=C/C(=O)Nc1ccc(Cl)cc1C(C)C)C[NH+]1CCOCC1 ZINC000913013581 1040531542 /nfs/dbraw/zinc/53/15/42/1040531542.db2.gz FRTKRXZYSBEDDS-UVTDQMKNSA-N 1 2 336.863 3.680 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2cccc(F)c2)c1C ZINC000899463002 1040547688 /nfs/dbraw/zinc/54/76/88/1040547688.db2.gz REXYNYZIDGRVDF-UHFFFAOYSA-N 1 2 333.432 3.675 20 0 EHADLO CCC[NH+](CCC)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000913057924 1040560304 /nfs/dbraw/zinc/56/03/04/1040560304.db2.gz CGHIZBUZAGMLTB-UHFFFAOYSA-N 1 2 335.473 3.884 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C/C=C/c1ccncc1)c1ccc(Cl)cc1 ZINC000486935728 1040584542 /nfs/dbraw/zinc/58/45/42/1040584542.db2.gz MBGNRBQGKRDVNU-ZMUQKWFASA-N 1 2 338.842 3.861 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000667858163 1040588900 /nfs/dbraw/zinc/58/89/00/1040588900.db2.gz GZSMENZOULTJMK-QGZVFWFLSA-N 1 2 336.439 3.791 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000913141367 1040605902 /nfs/dbraw/zinc/60/59/02/1040605902.db2.gz QNEKNEWOSOYCKF-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000913141367 1040605908 /nfs/dbraw/zinc/60/59/08/1040605908.db2.gz QNEKNEWOSOYCKF-UHFFFAOYSA-N 1 2 337.206 3.991 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000553973715 1040637263 /nfs/dbraw/zinc/63/72/63/1040637263.db2.gz FSGBXNUAUJCHDG-MRXNPFEDSA-N 1 2 342.443 3.675 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000600132391 1040701692 /nfs/dbraw/zinc/70/16/92/1040701692.db2.gz QRXZXJZUDNFKTL-RDJZCZTQSA-N 1 2 329.469 3.618 20 0 EHADLO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C)C1CC(F)(F)C1 ZINC000600136117 1040706148 /nfs/dbraw/zinc/70/61/48/1040706148.db2.gz PVOFHJTUSHFZEL-CZUORRHYSA-N 1 2 339.426 3.963 20 0 EHADLO CCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000490820427 1040764711 /nfs/dbraw/zinc/76/47/11/1040764711.db2.gz DWABAYRASJFJEC-UHFFFAOYSA-N 1 2 344.846 3.652 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000364326199 1040803782 /nfs/dbraw/zinc/80/37/82/1040803782.db2.gz FUCSDEANBVZKSV-OAHLLOKOSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000364326199 1040803799 /nfs/dbraw/zinc/80/37/99/1040803799.db2.gz FUCSDEANBVZKSV-OAHLLOKOSA-N 1 2 327.877 3.508 20 0 EHADLO Nc1ccc(CCC(=O)OCc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000759808459 1040806300 /nfs/dbraw/zinc/80/63/00/1040806300.db2.gz CUXWMXJTHKXBGB-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO CC[C@@H](C(=O)N1CCCCC[C@@H]1c1ccco1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555559636 1040832384 /nfs/dbraw/zinc/83/23/84/1040832384.db2.gz QYYBFJSMFVSQGH-FGTMMUONSA-N 1 2 348.487 3.613 20 0 EHADLO CC[C@@H](C(=O)N1CCCCC[C@@H]1c1ccco1)[N@H+]1CCO[C@H](CC)C1 ZINC000555559636 1040832396 /nfs/dbraw/zinc/83/23/96/1040832396.db2.gz QYYBFJSMFVSQGH-FGTMMUONSA-N 1 2 348.487 3.613 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)C3CCC(C(C)C)CC3)[nH+]c12 ZINC000569786001 1040836589 /nfs/dbraw/zinc/83/65/89/1040836589.db2.gz UHZNDPZHZHKOCD-UHFFFAOYSA-N 1 2 327.472 3.858 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)o1 ZINC000411422397 1040847369 /nfs/dbraw/zinc/84/73/69/1040847369.db2.gz LMGFALOZKAIQHB-QGZVFWFLSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)o1 ZINC000411422397 1040847377 /nfs/dbraw/zinc/84/73/77/1040847377.db2.gz LMGFALOZKAIQHB-QGZVFWFLSA-N 1 2 347.480 3.670 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000668769080 1040859137 /nfs/dbraw/zinc/85/91/37/1040859137.db2.gz WCZQOKABVRIFNT-DOMZBBRYSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000668769080 1040859154 /nfs/dbraw/zinc/85/91/54/1040859154.db2.gz WCZQOKABVRIFNT-DOMZBBRYSA-N 1 2 339.361 3.618 20 0 EHADLO CCCc1csc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000555584725 1040882358 /nfs/dbraw/zinc/88/23/58/1040882358.db2.gz CHQDVHIOHJJOGS-CQSZACIVSA-N 1 2 344.402 3.938 20 0 EHADLO CCc1cc(CCC[N@H+](C)Cc2nc(C(F)(F)F)cs2)on1 ZINC000450455371 1040887347 /nfs/dbraw/zinc/88/73/47/1040887347.db2.gz QFHYIESOAGAYFN-UHFFFAOYSA-N 1 2 333.379 3.777 20 0 EHADLO CCc1cc(CCC[N@@H+](C)Cc2nc(C(F)(F)F)cs2)on1 ZINC000450455371 1040887364 /nfs/dbraw/zinc/88/73/64/1040887364.db2.gz QFHYIESOAGAYFN-UHFFFAOYSA-N 1 2 333.379 3.777 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000614279623 1040910983 /nfs/dbraw/zinc/91/09/83/1040910983.db2.gz ZXMZNQJQGAAJIA-INIZCTEOSA-N 1 2 341.455 3.533 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1nc2ccccc2n1C ZINC000664038287 1040915944 /nfs/dbraw/zinc/91/59/44/1040915944.db2.gz MORNJBGPKVNBSX-LLVKDONJSA-N 1 2 345.244 3.582 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000481457849 1040929994 /nfs/dbraw/zinc/92/99/94/1040929994.db2.gz GQIWQUQRQQIMFH-XHDPSFHLSA-N 1 2 337.851 3.886 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000586791190 1041023677 /nfs/dbraw/zinc/02/36/77/1041023677.db2.gz JALOHMSXSFIKCP-ZETCQYMHSA-N 1 2 347.333 3.942 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433192170 1041031041 /nfs/dbraw/zinc/03/10/41/1041031041.db2.gz KBZWVVLHPWBORF-DZGCQCFKSA-N 1 2 344.546 3.585 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433192170 1041031056 /nfs/dbraw/zinc/03/10/56/1041031056.db2.gz KBZWVVLHPWBORF-DZGCQCFKSA-N 1 2 344.546 3.585 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487693056 1041047378 /nfs/dbraw/zinc/04/73/78/1041047378.db2.gz JCIMNBARCDZUDN-GOSISDBHSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ccccc3[C@H]1C)C2 ZINC000364377488 1041051481 /nfs/dbraw/zinc/05/14/81/1041051481.db2.gz BAHZCTWYSKWKHJ-ZBFHGGJFSA-N 1 2 337.467 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ccccc3[C@H]1C)CC2 ZINC000364377488 1041051492 /nfs/dbraw/zinc/05/14/92/1041051492.db2.gz BAHZCTWYSKWKHJ-ZBFHGGJFSA-N 1 2 337.467 3.784 20 0 EHADLO CN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCCc2ccccc21 ZINC000046944400 1041054924 /nfs/dbraw/zinc/05/49/24/1041054924.db2.gz XNBBEDVVJQBTEP-GOSISDBHSA-N 1 2 338.455 3.603 20 0 EHADLO C[C@@H]1C[C@@]2(CCO1)CN(c1[nH+]ccc3cc(F)ccc31)C[C@H](C)O2 ZINC000567748860 1041065001 /nfs/dbraw/zinc/06/50/01/1041065001.db2.gz LSFQNNRNIVGPRH-TYILLQQXSA-N 1 2 330.403 3.537 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433216756 1041094116 /nfs/dbraw/zinc/09/41/16/1041094116.db2.gz CAIWZLLWEIMURZ-UHFFFAOYSA-N 1 2 349.434 3.900 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)CCc2c[nH+]cn2C)o1 ZINC000899781992 1041104410 /nfs/dbraw/zinc/10/44/10/1041104410.db2.gz IKFZGXSLRNZWOT-UHFFFAOYSA-N 1 2 331.460 3.719 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000899781735 1041106187 /nfs/dbraw/zinc/10/61/87/1041106187.db2.gz DQRICHCTUCHUGR-KRWDZBQOSA-N 1 2 343.471 3.812 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000433239566 1041114848 /nfs/dbraw/zinc/11/48/48/1041114848.db2.gz HOTUSMCYIDSWNH-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000433239566 1041114857 /nfs/dbraw/zinc/11/48/57/1041114857.db2.gz HOTUSMCYIDSWNH-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000193793305 1041138685 /nfs/dbraw/zinc/13/86/85/1041138685.db2.gz BPTVKTAAYNSCKS-UHFFFAOYSA-N 1 2 344.434 3.891 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000193793305 1041138698 /nfs/dbraw/zinc/13/86/98/1041138698.db2.gz BPTVKTAAYNSCKS-UHFFFAOYSA-N 1 2 344.434 3.891 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852841 1041156798 /nfs/dbraw/zinc/15/67/98/1041156798.db2.gz KSUIXUZNRZRNPM-CABCVRRESA-N 1 2 341.835 3.648 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2cccs2)C1)c1ccc(Cl)c(F)c1 ZINC000759852841 1041156806 /nfs/dbraw/zinc/15/68/06/1041156806.db2.gz KSUIXUZNRZRNPM-CABCVRRESA-N 1 2 341.835 3.648 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C)O1 ZINC000487928589 1041189901 /nfs/dbraw/zinc/18/99/01/1041189901.db2.gz WRXDIEXTPYIHQX-LPHOPBHVSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C)O1 ZINC000487928589 1041189906 /nfs/dbraw/zinc/18/99/06/1041189906.db2.gz WRXDIEXTPYIHQX-LPHOPBHVSA-N 1 2 326.440 3.660 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(F)cc3C)o2)cc1 ZINC000487966602 1041212593 /nfs/dbraw/zinc/21/25/93/1041212593.db2.gz WXJPLGAQZBFNPU-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(F)cc3C)o2)cc1 ZINC000487966602 1041212609 /nfs/dbraw/zinc/21/26/09/1041212609.db2.gz WXJPLGAQZBFNPU-UHFFFAOYSA-N 1 2 341.386 3.825 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433291612 1041227393 /nfs/dbraw/zinc/22/73/93/1041227393.db2.gz WRMAWCQZWGQMGJ-DGCLKSJQSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433291612 1041227410 /nfs/dbraw/zinc/22/74/10/1041227410.db2.gz WRMAWCQZWGQMGJ-DGCLKSJQSA-N 1 2 335.860 3.613 20 0 EHADLO CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000571295356 1041259138 /nfs/dbraw/zinc/25/91/38/1041259138.db2.gz WBHVTNIDXAWSJB-CQSZACIVSA-N 1 2 337.876 3.761 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000192872941 1041288072 /nfs/dbraw/zinc/28/80/72/1041288072.db2.gz HNAPHYHVVDYEEB-GFCCVEGCSA-N 1 2 343.452 3.867 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000192872941 1041288086 /nfs/dbraw/zinc/28/80/86/1041288086.db2.gz HNAPHYHVVDYEEB-GFCCVEGCSA-N 1 2 343.452 3.867 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)c2C)cc1 ZINC000428753725 1041355673 /nfs/dbraw/zinc/35/56/73/1041355673.db2.gz RGLPDOOUABELPJ-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)c2C)cc1 ZINC000428753725 1041355688 /nfs/dbraw/zinc/35/56/88/1041355688.db2.gz RGLPDOOUABELPJ-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO Cc1cc(F)ccc1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000644806919 1041370986 /nfs/dbraw/zinc/37/09/86/1041370986.db2.gz VCXDMLIOVJWCSU-UHFFFAOYSA-N 1 2 329.419 3.517 20 0 EHADLO CN(C)c1ccc([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000195179786 1041397383 /nfs/dbraw/zinc/39/73/83/1041397383.db2.gz SMYPGMVTLNTGHM-LJQANCHMSA-N 1 2 333.476 3.812 20 0 EHADLO C[NH+](C)c1ccc(NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000195179786 1041397392 /nfs/dbraw/zinc/39/73/92/1041397392.db2.gz SMYPGMVTLNTGHM-LJQANCHMSA-N 1 2 333.476 3.812 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](C)[C@H](C)[C@H]3C)s2)cc1 ZINC000419337706 1041413101 /nfs/dbraw/zinc/41/31/01/1041413101.db2.gz BNBFSGFJJQIBCP-MELADBBJSA-N 1 2 344.484 3.575 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](C)[C@H](C)[C@H]3C)s2)cc1 ZINC000419337706 1041413111 /nfs/dbraw/zinc/41/31/11/1041413111.db2.gz BNBFSGFJJQIBCP-MELADBBJSA-N 1 2 344.484 3.575 20 0 EHADLO Fc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)ccc1OC(F)F ZINC000429981136 1041414933 /nfs/dbraw/zinc/41/49/33/1041414933.db2.gz WBZLDAZRVCKVIW-UHFFFAOYSA-N 1 2 349.312 3.767 20 0 EHADLO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000111260927 1041536071 /nfs/dbraw/zinc/53/60/71/1041536071.db2.gz MRRSICGFWPULTG-UHFFFAOYSA-N 1 2 340.402 3.947 20 0 EHADLO C[C@H]1CC[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000432084131 1041566577 /nfs/dbraw/zinc/56/65/77/1041566577.db2.gz CUFOTKSQCQDMKL-HOTGVXAUSA-N 1 2 342.443 3.520 20 0 EHADLO C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102197 1041605751 /nfs/dbraw/zinc/60/57/51/1041605751.db2.gz JUFFNRAYQRHAJN-LPHOPBHVSA-N 1 2 337.467 3.762 20 0 EHADLO Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000636582019 1041607157 /nfs/dbraw/zinc/60/71/57/1041607157.db2.gz RIGBRUQQQBDERO-ZDUSSCGKSA-N 1 2 331.441 3.528 20 0 EHADLO O=C(NCCC1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043499890 1041614842 /nfs/dbraw/zinc/61/48/42/1041614842.db2.gz HAUGAPSJEVJCKL-UHFFFAOYSA-N 1 2 336.505 3.831 20 0 EHADLO Cc1nn(C)c(C)c1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000432124284 1041621003 /nfs/dbraw/zinc/62/10/03/1041621003.db2.gz ZCRSTJXFJQRVLR-UHFFFAOYSA-N 1 2 331.217 3.513 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(Cl)c1OC ZINC000093864373 1041669714 /nfs/dbraw/zinc/66/97/14/1041669714.db2.gz YXEBIKINZBOCQC-AWEZNQCLSA-N 1 2 349.862 3.600 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(Cl)c1OC ZINC000093864373 1041669717 /nfs/dbraw/zinc/66/97/17/1041669717.db2.gz YXEBIKINZBOCQC-AWEZNQCLSA-N 1 2 349.862 3.600 20 0 EHADLO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1OC(F)F ZINC000660583191 1041704024 /nfs/dbraw/zinc/70/40/24/1041704024.db2.gz AGVLAMCVVHTFRR-GDBMZVCRSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1OC(F)F ZINC000660583191 1041704029 /nfs/dbraw/zinc/70/40/29/1041704029.db2.gz AGVLAMCVVHTFRR-GDBMZVCRSA-N 1 2 341.373 3.961 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCOCC(F)(F)F ZINC000660709568 1041785650 /nfs/dbraw/zinc/78/56/50/1041785650.db2.gz MERJOQKZEZMNNL-SECBINFHSA-N 1 2 335.757 3.788 20 0 EHADLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCOCC(F)(F)F ZINC000660709568 1041785656 /nfs/dbraw/zinc/78/56/56/1041785656.db2.gz MERJOQKZEZMNNL-SECBINFHSA-N 1 2 335.757 3.788 20 0 EHADLO CC(C)[N@H+](Cc1cc2cnccc2o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000651616211 1041793628 /nfs/dbraw/zinc/79/36/28/1041793628.db2.gz SZBMDZDXJGZPEF-UHFFFAOYSA-N 1 2 348.406 3.887 20 0 EHADLO CC(C)[N@@H+](Cc1cc2cnccc2o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000651616211 1041793638 /nfs/dbraw/zinc/79/36/38/1041793638.db2.gz SZBMDZDXJGZPEF-UHFFFAOYSA-N 1 2 348.406 3.887 20 0 EHADLO CCc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cnn1C(CC)CC ZINC000660962453 1041889468 /nfs/dbraw/zinc/88/94/68/1041889468.db2.gz OHJPHCHGDXISRJ-UHFFFAOYSA-N 1 2 325.416 3.707 20 0 EHADLO Fc1cc([C@@H]2C[N@H+](C[C@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306515 1041921413 /nfs/dbraw/zinc/92/14/13/1041921413.db2.gz PUIZXKDTEUEUNB-BZNIZROVSA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@@H]2C[N@@H+](C[C@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306515 1041921418 /nfs/dbraw/zinc/92/14/18/1041921418.db2.gz PUIZXKDTEUEUNB-BZNIZROVSA-N 1 2 348.245 3.932 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000651691409 1041924924 /nfs/dbraw/zinc/92/49/24/1041924924.db2.gz PQYZKFUFMGFWKD-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1C ZINC000661170957 1041980624 /nfs/dbraw/zinc/98/06/24/1041980624.db2.gz KXZOHWGFSPBQGJ-FOIQADDNSA-N 1 2 341.455 3.915 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1C ZINC000661170957 1041980628 /nfs/dbraw/zinc/98/06/28/1041980628.db2.gz KXZOHWGFSPBQGJ-FOIQADDNSA-N 1 2 341.455 3.915 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170881 1041982416 /nfs/dbraw/zinc/98/24/16/1041982416.db2.gz SPGFHPSVGOEKPH-SGTLLEGYSA-N 1 2 347.846 3.952 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170881 1041982417 /nfs/dbraw/zinc/98/24/17/1041982417.db2.gz SPGFHPSVGOEKPH-SGTLLEGYSA-N 1 2 347.846 3.952 20 0 EHADLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001203417586 1042024861 /nfs/dbraw/zinc/02/48/61/1042024861.db2.gz YFRRXLSKFUKAEO-INIZCTEOSA-N 1 2 327.255 3.580 20 0 EHADLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Cl ZINC001203417586 1042024868 /nfs/dbraw/zinc/02/48/68/1042024868.db2.gz YFRRXLSKFUKAEO-INIZCTEOSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)cc(C)[nH+]1 ZINC000661334903 1042065720 /nfs/dbraw/zinc/06/57/20/1042065720.db2.gz XBBPYWWIJLKUOO-HNNXBMFYSA-N 1 2 329.419 3.576 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cscn1 ZINC000661420852 1042112380 /nfs/dbraw/zinc/11/23/80/1042112380.db2.gz WFXANFQLAQBCML-MBNYWOFBSA-N 1 2 335.498 3.607 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514213 1042159937 /nfs/dbraw/zinc/15/99/37/1042159937.db2.gz NTVAXQKUICGKIX-QRWLVFNGSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514213 1042159949 /nfs/dbraw/zinc/15/99/49/1042159949.db2.gz NTVAXQKUICGKIX-QRWLVFNGSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000151785369 1133509990 /nfs/dbraw/zinc/50/99/90/1133509990.db2.gz SXRACQUFAUDBMI-CQSZACIVSA-N 1 2 332.669 3.697 20 0 EHADLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000151785369 1133509995 /nfs/dbraw/zinc/50/99/95/1133509995.db2.gz SXRACQUFAUDBMI-CQSZACIVSA-N 1 2 332.669 3.697 20 0 EHADLO CCn1nc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c2ccccc21 ZINC000473140512 1042276014 /nfs/dbraw/zinc/27/60/14/1042276014.db2.gz DAYOKUSCUSSJTG-QFIPXVFZSA-N 1 2 347.462 3.730 20 0 EHADLO CCn1nc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c2ccccc21 ZINC000473140512 1042276016 /nfs/dbraw/zinc/27/60/16/1042276016.db2.gz DAYOKUSCUSSJTG-QFIPXVFZSA-N 1 2 347.462 3.730 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000661737244 1042292153 /nfs/dbraw/zinc/29/21/53/1042292153.db2.gz HSRACCZCWNZLTG-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nc(-c3ccccc3)no1)C2 ZINC000661737244 1042292158 /nfs/dbraw/zinc/29/21/58/1042292158.db2.gz HSRACCZCWNZLTG-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccnc(N)c1 ZINC000661738789 1042296631 /nfs/dbraw/zinc/29/66/31/1042296631.db2.gz HTMAFJGTBAAKPD-INIZCTEOSA-N 1 2 331.847 3.669 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccnc(N)c1 ZINC000661738789 1042296633 /nfs/dbraw/zinc/29/66/33/1042296633.db2.gz HTMAFJGTBAAKPD-INIZCTEOSA-N 1 2 331.847 3.669 20 0 EHADLO C[N@H+](CCc1ccc(F)cc1)Cc1csc(Br)n1 ZINC001137583466 1042312317 /nfs/dbraw/zinc/31/23/17/1042312317.db2.gz VPQTZRGACFZKGV-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO C[N@@H+](CCc1ccc(F)cc1)Cc1csc(Br)n1 ZINC001137583466 1042312323 /nfs/dbraw/zinc/31/23/23/1042312323.db2.gz VPQTZRGACFZKGV-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCCCO3)CC2)no1 ZINC000661867648 1042376744 /nfs/dbraw/zinc/37/67/44/1042376744.db2.gz WAIHMJHMNYKVDB-GOSISDBHSA-N 1 2 341.455 3.826 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc2ccnc(Cl)c2s1 ZINC001126178233 1042420647 /nfs/dbraw/zinc/42/06/47/1042420647.db2.gz USKYEIRKJKJUOA-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(OC)ccc1Cl)c1nnc2n1CCCCC2 ZINC000661941999 1042424031 /nfs/dbraw/zinc/42/40/31/1042424031.db2.gz SZDITKQGCXDFLF-INIZCTEOSA-N 1 2 348.878 3.907 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1ccc(F)c(Br)c1)CC2 ZINC000661955468 1042430478 /nfs/dbraw/zinc/43/04/78/1042430478.db2.gz YSCXIKZIPLZRCB-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)sc2c1 ZINC000661992731 1042449983 /nfs/dbraw/zinc/44/99/83/1042449983.db2.gz BCCINYCFXMRBMB-UHFFFAOYSA-N 1 2 344.480 3.696 20 0 EHADLO COc1ccc2nc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)sc2c1 ZINC000661992731 1042449988 /nfs/dbraw/zinc/44/99/88/1042449988.db2.gz BCCINYCFXMRBMB-UHFFFAOYSA-N 1 2 344.480 3.696 20 0 EHADLO CC(C)c1cccc(NC(=O)C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000662043959 1042478431 /nfs/dbraw/zinc/47/84/31/1042478431.db2.gz OEAPUVDKKHQNIW-UHFFFAOYSA-N 1 2 327.428 3.616 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662051027 1042482821 /nfs/dbraw/zinc/48/28/21/1042482821.db2.gz XTIOTEROXLIYRG-CQSZACIVSA-N 1 2 339.439 3.868 20 0 EHADLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000246625293 1042512403 /nfs/dbraw/zinc/51/24/03/1042512403.db2.gz UKWSJHCKPCMDKW-BZUAXINKSA-N 1 2 347.503 3.852 20 0 EHADLO CCSCc1ccccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000278857404 1042596269 /nfs/dbraw/zinc/59/62/69/1042596269.db2.gz UVJDYZONZXMUQM-MRXNPFEDSA-N 1 2 347.484 3.771 20 0 EHADLO CCSCc1ccccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000278857404 1042596273 /nfs/dbraw/zinc/59/62/73/1042596273.db2.gz UVJDYZONZXMUQM-MRXNPFEDSA-N 1 2 347.484 3.771 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H](CC(F)(F)F)O1 ZINC000662244813 1042632122 /nfs/dbraw/zinc/63/21/22/1042632122.db2.gz VLZVCFBQSWYKKA-NHYWBVRUSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H](CC(F)(F)F)O1 ZINC000662244813 1042632126 /nfs/dbraw/zinc/63/21/26/1042632126.db2.gz VLZVCFBQSWYKKA-NHYWBVRUSA-N 1 2 342.336 3.916 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043156364 1042651311 /nfs/dbraw/zinc/65/13/11/1042651311.db2.gz COPXOKKDHAAHHT-UHFFFAOYSA-N 1 2 338.455 3.874 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161843067 1042689522 /nfs/dbraw/zinc/68/95/22/1042689522.db2.gz BOFWLMCOFTXJRW-OAHLLOKOSA-N 1 2 343.496 3.525 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000663325852 1042690598 /nfs/dbraw/zinc/69/05/98/1042690598.db2.gz MDPOEMDUPXTJLP-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000663325852 1042690601 /nfs/dbraw/zinc/69/06/01/1042690601.db2.gz MDPOEMDUPXTJLP-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO Cc1c(N[C@H](C)c2ccccn2)nc[nH+]c1N[C@H](C)c1ccccn1 ZINC000663325407 1042692811 /nfs/dbraw/zinc/69/28/11/1042692811.db2.gz JENBSMUMULPRAS-HUUCEWRRSA-N 1 2 334.427 3.921 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000162323066 1042720387 /nfs/dbraw/zinc/72/03/87/1042720387.db2.gz KHJUZVIQCSNDPB-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1 ZINC000063605262 1042757558 /nfs/dbraw/zinc/75/75/58/1042757558.db2.gz IUCQSXZHGCRNNE-HXUWFJFHSA-N 1 2 340.467 3.703 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(OC)cc2OC)o1 ZINC000165296082 1042767952 /nfs/dbraw/zinc/76/79/52/1042767952.db2.gz IPKNIKDGZRFUFV-DYVFJYSZSA-N 1 2 333.428 3.898 20 0 EHADLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000893588958 1042777685 /nfs/dbraw/zinc/77/76/85/1042777685.db2.gz GMAOEONSCRNGCZ-UHFFFAOYSA-N 1 2 340.389 3.596 20 0 EHADLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000893588958 1042777690 /nfs/dbraw/zinc/77/76/90/1042777690.db2.gz GMAOEONSCRNGCZ-UHFFFAOYSA-N 1 2 340.389 3.596 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000278870494 1042779476 /nfs/dbraw/zinc/77/94/76/1042779476.db2.gz HCATVZWFQBYKEI-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO Cc1ccsc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278876764 1042807679 /nfs/dbraw/zinc/80/76/79/1042807679.db2.gz CKOXXODQMLJNFI-UHFFFAOYSA-N 1 2 329.469 3.609 20 0 EHADLO CCOc1cc(CNc2ccc(N3CCCC3)[nH+]c2)ccc1OC ZINC000121776436 1042812265 /nfs/dbraw/zinc/81/22/65/1042812265.db2.gz IGTCKDUODDPMGN-UHFFFAOYSA-N 1 2 327.428 3.701 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C3CC3)C3CC3)n2)C1 ZINC000043546898 1042854752 /nfs/dbraw/zinc/85/47/52/1042854752.db2.gz XRVNULHVOWQBMU-LBPRGKRZSA-N 1 2 348.516 3.685 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C3CC3)C3CC3)n2)C1 ZINC000043546898 1042854758 /nfs/dbraw/zinc/85/47/58/1042854758.db2.gz XRVNULHVOWQBMU-LBPRGKRZSA-N 1 2 348.516 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)n1 ZINC000343960154 1042952374 /nfs/dbraw/zinc/95/23/74/1042952374.db2.gz HUCIAHMVXISGDD-XJKSGUPXSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)n1 ZINC000343960154 1042952378 /nfs/dbraw/zinc/95/23/78/1042952378.db2.gz HUCIAHMVXISGDD-XJKSGUPXSA-N 1 2 333.432 3.759 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)CC1 ZINC001167827708 1042973488 /nfs/dbraw/zinc/97/34/88/1042973488.db2.gz ULUPMESFBHWNJR-AULYBMBSSA-N 1 2 342.361 3.819 20 0 EHADLO CC(C)[N@@H+]1CCC[C@@H]1c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000923872003 1043012181 /nfs/dbraw/zinc/01/21/81/1043012181.db2.gz NHCCLHZVNNJMHL-CYBMUJFWSA-N 1 2 325.334 3.894 20 0 EHADLO CC(C)[N@H+]1CCC[C@@H]1c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000923872003 1043012183 /nfs/dbraw/zinc/01/21/83/1043012183.db2.gz NHCCLHZVNNJMHL-CYBMUJFWSA-N 1 2 325.334 3.894 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000261398863 1043028142 /nfs/dbraw/zinc/02/81/42/1043028142.db2.gz ZIKAFHDXDKACMC-UHFFFAOYSA-N 1 2 349.478 3.842 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942706 1043056305 /nfs/dbraw/zinc/05/63/05/1043056305.db2.gz YEPBXWCLJBQSNM-RYUDHWBXSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278942706 1043056319 /nfs/dbraw/zinc/05/63/19/1043056319.db2.gz YEPBXWCLJBQSNM-RYUDHWBXSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccccc1/C=C/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279046592 1043251782 /nfs/dbraw/zinc/25/17/82/1043251782.db2.gz YMKLDMSYYWZBAJ-MDZDMXLPSA-N 1 2 349.478 3.947 20 0 EHADLO COC[C@H](Nc1nc(C)[nH+]c(C)c1Br)c1ccccc1 ZINC000663658068 1043315998 /nfs/dbraw/zinc/31/59/98/1043315998.db2.gz JDNDNILMPRBQHD-ZDUSSCGKSA-N 1 2 336.233 3.656 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2CCC)cc1OC ZINC000279082564 1043321937 /nfs/dbraw/zinc/32/19/37/1043321937.db2.gz MDXYTXHQUFSHFH-OAHLLOKOSA-N 1 2 346.475 3.726 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cn2)cc1C ZINC000344152828 1043340528 /nfs/dbraw/zinc/34/05/28/1043340528.db2.gz DQVGNCKUFRTGDX-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000344187015 1043391480 /nfs/dbraw/zinc/39/14/80/1043391480.db2.gz ZMBRIFROXYSQKT-OXQOHEQNSA-N 1 2 348.450 3.884 20 0 EHADLO C[C@](O)(C1CC[NH+](Cc2cc(O)cc(Cl)c2)CC1)C(F)(F)F ZINC000893641342 1043397356 /nfs/dbraw/zinc/39/73/56/1043397356.db2.gz VCOLDYFSEIOBGF-AWEZNQCLSA-N 1 2 337.769 3.571 20 0 EHADLO Cc1cccn2c(CN3CCO[C@@H](c4ccccc4Cl)C3)c[nH+]c12 ZINC000093081064 1043447224 /nfs/dbraw/zinc/44/72/24/1043447224.db2.gz VAMFZPJUVZAAJT-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO CC(=O)N1CCc2c1cccc2NCc1cc(C)[nH+]c2c1CCCC2 ZINC000893644595 1043463408 /nfs/dbraw/zinc/46/34/08/1043463408.db2.gz GBAAEFUDLHJJOS-UHFFFAOYSA-N 1 2 335.451 3.790 20 0 EHADLO Cc1sc2nc([C@H](C)[N@@H+]3CCCc4occc4C3)nc(N)c2c1C ZINC000344237818 1043500468 /nfs/dbraw/zinc/50/04/68/1043500468.db2.gz OSLLSVPKLBGXRX-NSHDSACASA-N 1 2 342.468 3.993 20 0 EHADLO Cc1sc2nc([C@H](C)[N@H+]3CCCc4occc4C3)nc(N)c2c1C ZINC000344237818 1043500479 /nfs/dbraw/zinc/50/04/79/1043500479.db2.gz OSLLSVPKLBGXRX-NSHDSACASA-N 1 2 342.468 3.993 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279205570 1043561788 /nfs/dbraw/zinc/56/17/88/1043561788.db2.gz LREHVPCSPNWJIO-LBPRGKRZSA-N 1 2 340.452 3.652 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC(C)(C)C)CC2)c1 ZINC000509732099 1043597255 /nfs/dbraw/zinc/59/72/55/1043597255.db2.gz BOCFPWUDGYZAKJ-INIZCTEOSA-N 1 2 347.503 3.520 20 0 EHADLO CC[C@H](CSC)N(C)c1cc(N(C)[C@@H](CC)CSC)nc[nH+]1 ZINC000344313685 1043650815 /nfs/dbraw/zinc/65/08/15/1043650815.db2.gz ZJCWAPFBMWOVMQ-OKILXGFUSA-N 1 2 342.578 3.632 20 0 EHADLO CC[C@H](CSC)N(C)c1cc(N(C)[C@@H](CC)CSC)[nH+]cn1 ZINC000344313685 1043650818 /nfs/dbraw/zinc/65/08/18/1043650818.db2.gz ZJCWAPFBMWOVMQ-OKILXGFUSA-N 1 2 342.578 3.632 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438650 1043756516 /nfs/dbraw/zinc/75/65/16/1043756516.db2.gz DRRUNLMPXZIEOM-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438650 1043756528 /nfs/dbraw/zinc/75/65/28/1043756528.db2.gz DRRUNLMPXZIEOM-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Cn2cccn2)cc1 ZINC000162749073 1043776359 /nfs/dbraw/zinc/77/63/59/1043776359.db2.gz JIQWQESVZUOFBR-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO COc1ccc(-c2cc(C(=O)N3CC[N@H+](C)C[C@H]3C)sc2C)cc1 ZINC000344376116 1043829907 /nfs/dbraw/zinc/82/99/07/1043829907.db2.gz LOVHTQWBDUTLPR-CYBMUJFWSA-N 1 2 344.480 3.508 20 0 EHADLO COc1ccc(-c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C)sc2C)cc1 ZINC000344376116 1043829925 /nfs/dbraw/zinc/82/99/25/1043829925.db2.gz LOVHTQWBDUTLPR-CYBMUJFWSA-N 1 2 344.480 3.508 20 0 EHADLO Cc1[nH]c2ccc(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2c1C ZINC000344378320 1043843877 /nfs/dbraw/zinc/84/38/77/1043843877.db2.gz PDZKDNXBKYHYAH-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ncnn1-c1ccccc1 ZINC000279420052 1044059940 /nfs/dbraw/zinc/05/99/40/1044059940.db2.gz FOQKWICALUQTFL-SFHVURJKSA-N 1 2 334.423 3.579 20 0 EHADLO O=C(N[C@@H]1C=CCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247663754 1044129288 /nfs/dbraw/zinc/12/92/88/1044129288.db2.gz YHYURIDAGVBODY-QRQLOZEOSA-N 1 2 336.439 3.520 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000344601723 1044177165 /nfs/dbraw/zinc/17/71/65/1044177165.db2.gz FYDQVPJWCQYBLH-VQIMIIECSA-N 1 2 341.455 3.506 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1OC(F)F ZINC000344640936 1044216813 /nfs/dbraw/zinc/21/68/13/1044216813.db2.gz OFZGTFACXNBWMU-UHFFFAOYSA-N 1 2 343.399 3.561 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1OC ZINC000344709271 1044312915 /nfs/dbraw/zinc/31/29/15/1044312915.db2.gz RXDPREWNDHGDAI-GFCCVEGCSA-N 1 2 336.457 3.548 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3ncnn3C(C)C)c(C)c2c1 ZINC000279711672 1044452832 /nfs/dbraw/zinc/45/28/32/1044452832.db2.gz KIWQPEKSAVIFQB-ZDUSSCGKSA-N 1 2 328.416 3.773 20 0 EHADLO COc1ccc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000051226870 1044456759 /nfs/dbraw/zinc/45/67/59/1044456759.db2.gz YBDHXAVTZGVIFE-NSHDSACASA-N 1 2 341.436 3.999 20 0 EHADLO Nc1ccc(Nc2cc(Br)cc(Br)c2)c[nH+]1 ZINC000709775207 1044496138 /nfs/dbraw/zinc/49/61/38/1044496138.db2.gz STMOUPKWNJJYEZ-UHFFFAOYSA-N 1 2 343.022 3.932 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000279739719 1044513283 /nfs/dbraw/zinc/51/32/83/1044513283.db2.gz DKEGTOKXGXEINU-ZIAGYGMSSA-N 1 2 333.863 3.657 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccnn2-c2ccccc2C)cc1O ZINC000279755749 1044534135 /nfs/dbraw/zinc/53/41/35/1044534135.db2.gz YOBLXVKVNIXCMV-UHFFFAOYSA-N 1 2 337.423 3.527 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccnn2-c2ccccc2C)cc1O ZINC000279755749 1044534150 /nfs/dbraw/zinc/53/41/50/1044534150.db2.gz YOBLXVKVNIXCMV-UHFFFAOYSA-N 1 2 337.423 3.527 20 0 EHADLO Cc1ccnc(OC2CCN(c3[nH+]ccc4c(N)cccc43)CC2)c1 ZINC000663788177 1044548911 /nfs/dbraw/zinc/54/89/11/1044548911.db2.gz XISBBWPQQBHMRA-UHFFFAOYSA-N 1 2 334.423 3.568 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2C(C)C)ccc1OCC(C)C ZINC000279775544 1044631462 /nfs/dbraw/zinc/63/14/62/1044631462.db2.gz TZJKINBBCBVFHX-HNNXBMFYSA-N 1 2 346.475 3.753 20 0 EHADLO COC(=O)c1occc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000344912855 1044677931 /nfs/dbraw/zinc/67/79/31/1044677931.db2.gz NUFXNDKIZKNUDX-UHFFFAOYSA-N 1 2 349.390 3.594 20 0 EHADLO Fc1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)nc1 ZINC000344933389 1044709522 /nfs/dbraw/zinc/70/95/22/1044709522.db2.gz SVCHLPFEWBBFTO-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CC(C)n1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000279888508 1044796558 /nfs/dbraw/zinc/79/65/58/1044796558.db2.gz BQTLVRAASNSUAR-UHFFFAOYSA-N 1 2 348.476 3.550 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000620409208 1125569088 /nfs/dbraw/zinc/56/90/88/1125569088.db2.gz DWAXHFWGDKMXKQ-UHFFFAOYSA-N 1 2 329.734 3.557 20 0 EHADLO CC(C)C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000153757932 1125657491 /nfs/dbraw/zinc/65/74/91/1125657491.db2.gz YUHFDLSXRWFHSK-GOSISDBHSA-N 1 2 344.503 3.650 20 0 EHADLO C[N@@H+]1CCO[C@@H]([C@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000154347085 1125713436 /nfs/dbraw/zinc/71/34/36/1125713436.db2.gz UFHKDMNTGXXKIZ-RTBURBONSA-N 1 2 348.849 3.641 20 0 EHADLO C[N@H+]1CCO[C@@H]([C@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000154347085 1125713443 /nfs/dbraw/zinc/71/34/43/1125713443.db2.gz UFHKDMNTGXXKIZ-RTBURBONSA-N 1 2 348.849 3.641 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000154849848 1125760333 /nfs/dbraw/zinc/76/03/33/1125760333.db2.gz GWZKDUNJVREFRS-UHFFFAOYSA-N 1 2 349.434 3.624 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154974947 1125771947 /nfs/dbraw/zinc/77/19/47/1125771947.db2.gz WZXYMUTZWUHBOR-CYBMUJFWSA-N 1 2 337.876 3.566 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)c1 ZINC000682996913 1129257436 /nfs/dbraw/zinc/25/74/36/1129257436.db2.gz BABSNZCFMVUEFC-CQSZACIVSA-N 1 2 340.192 3.835 20 0 EHADLO C[C@H]([NH2+]CCCOCC1CC1)c1cc(Br)cc(F)c1O ZINC000184900890 1126708791 /nfs/dbraw/zinc/70/87/91/1126708791.db2.gz NUGHJVMNTMEVDV-JTQLQIEISA-N 1 2 346.240 3.761 20 0 EHADLO Cc1csc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000184954730 1126719213 /nfs/dbraw/zinc/71/92/13/1126719213.db2.gz SLJXPXAZIYIDQK-QMMMGPOBSA-N 1 2 345.237 3.910 20 0 EHADLO Cc1ncc(CN2CC[NH+](Cc3cc4ccccc4o3)CC2)s1 ZINC000171241192 1126757593 /nfs/dbraw/zinc/75/75/93/1126757593.db2.gz NALNLSPZMQZPIA-UHFFFAOYSA-N 1 2 327.453 3.516 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccccc2)c1C ZINC000171821498 1126765215 /nfs/dbraw/zinc/76/52/15/1126765215.db2.gz WVPJUJYNHMFXCG-CQSZACIVSA-N 1 2 326.440 3.544 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCCCc1ccc(Cl)s1 ZINC000671227023 1126772931 /nfs/dbraw/zinc/77/29/31/1126772931.db2.gz VJCKLINPXZCKSP-UHFFFAOYSA-N 1 2 325.865 3.517 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)nc1 ZINC000671243511 1126816411 /nfs/dbraw/zinc/81/64/11/1126816411.db2.gz CBPFCSBVBNERNW-OAQYLSRUSA-N 1 2 338.451 3.951 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)nc1 ZINC000671243511 1126816413 /nfs/dbraw/zinc/81/64/13/1126816413.db2.gz CBPFCSBVBNERNW-OAQYLSRUSA-N 1 2 338.451 3.951 20 0 EHADLO C[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(F)c(Cl)c1 ZINC000763826530 1126877206 /nfs/dbraw/zinc/87/72/06/1126877206.db2.gz RTFYWAWBVQMWBE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(F)c(Cl)c1 ZINC000763826530 1126877209 /nfs/dbraw/zinc/87/72/09/1126877209.db2.gz RTFYWAWBVQMWBE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000623121816 1126880077 /nfs/dbraw/zinc/88/00/77/1126880077.db2.gz NAUASSBGXPNWQK-UHFFFAOYSA-N 1 2 329.322 3.520 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000623121816 1126880078 /nfs/dbraw/zinc/88/00/78/1126880078.db2.gz NAUASSBGXPNWQK-UHFFFAOYSA-N 1 2 329.322 3.520 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121096 1126880609 /nfs/dbraw/zinc/88/06/09/1126880609.db2.gz PTTSTKRIWUWWNJ-ZDUSSCGKSA-N 1 2 348.434 3.858 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121096 1126880613 /nfs/dbraw/zinc/88/06/13/1126880613.db2.gz PTTSTKRIWUWWNJ-ZDUSSCGKSA-N 1 2 348.434 3.858 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2cccc(Cl)c2)CCC1 ZINC000623185104 1126892037 /nfs/dbraw/zinc/89/20/37/1126892037.db2.gz NKRDRGUALUGDIH-UHFFFAOYSA-N 1 2 343.858 3.891 20 0 EHADLO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)ccc1F ZINC000623232155 1126899322 /nfs/dbraw/zinc/89/93/22/1126899322.db2.gz WQVHNPJFYFVAAI-MSOLQXFVSA-N 1 2 330.378 3.719 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623237004 1126901053 /nfs/dbraw/zinc/90/10/53/1126901053.db2.gz MXYLVXBVBGWYSQ-KZULUSFZSA-N 1 2 344.842 3.713 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(COCc2ccco2)c1 ZINC000623266689 1126905795 /nfs/dbraw/zinc/90/57/95/1126905795.db2.gz JQNVTRAAKNMMCI-UHFFFAOYSA-N 1 2 339.395 3.612 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000623296697 1126910288 /nfs/dbraw/zinc/91/02/88/1126910288.db2.gz NYQVPNVJZGDJGR-NVXWUHKLSA-N 1 2 331.847 3.551 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192653277 1126928377 /nfs/dbraw/zinc/92/83/77/1126928377.db2.gz WUBGHWZEYOVBAG-UHFFFAOYSA-N 1 2 345.493 3.860 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918640 1126934385 /nfs/dbraw/zinc/93/43/85/1126934385.db2.gz TVQYBFVOZYDTJP-HIFRSBDPSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918640 1126934387 /nfs/dbraw/zinc/93/43/87/1126934387.db2.gz TVQYBFVOZYDTJP-HIFRSBDPSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)c1csc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)n1 ZINC000623451614 1126959307 /nfs/dbraw/zinc/95/93/07/1126959307.db2.gz CPMMSMDUSOMTFF-UHFFFAOYSA-N 1 2 325.428 3.901 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2cccs2)CCCCC1 ZINC000178067110 1127006448 /nfs/dbraw/zinc/00/64/48/1127006448.db2.gz QFWXATHDAXPMMW-UHFFFAOYSA-N 1 2 339.464 3.914 20 0 EHADLO O=C(CC(C1CCC1)C1CCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000623667904 1127009675 /nfs/dbraw/zinc/00/96/75/1127009675.db2.gz VIOFEZPUYJYQCH-UHFFFAOYSA-N 1 2 341.499 3.905 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000623667539 1127009906 /nfs/dbraw/zinc/00/99/06/1127009906.db2.gz HBRVBWZSFOZBSI-WOJBJXKFSA-N 1 2 349.478 3.882 20 0 EHADLO C/C=C\C[C@@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623688076 1127022719 /nfs/dbraw/zinc/02/27/19/1127022719.db2.gz ZOEDNAZTGWCPFN-CWIOURORSA-N 1 2 340.471 3.573 20 0 EHADLO CCC(C)(C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000073120206 1127043124 /nfs/dbraw/zinc/04/31/24/1127043124.db2.gz FIAOGOSVBONNQP-UHFFFAOYSA-N 1 2 331.504 3.664 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccc(Cl)cc2C1 ZINC000179310200 1127056292 /nfs/dbraw/zinc/05/62/92/1127056292.db2.gz AULSQVQXGGNJPQ-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C)n1C1CC1)c1ccccc1OC(F)F ZINC000179714829 1127083407 /nfs/dbraw/zinc/08/34/07/1127083407.db2.gz QZAUALIGGISDGD-AWEZNQCLSA-N 1 2 336.386 3.764 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cc(C)cc(C)c1 ZINC000179892094 1127097961 /nfs/dbraw/zinc/09/79/61/1127097961.db2.gz CXOXIPDEARFHSN-AWEZNQCLSA-N 1 2 330.403 3.740 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc(=O)[nH]1 ZINC000179919814 1127099758 /nfs/dbraw/zinc/09/97/58/1127099758.db2.gz XAVNXJBREYIGGL-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179918091 1127100236 /nfs/dbraw/zinc/10/02/36/1127100236.db2.gz FJQBYVWZPVSATA-CQSZACIVSA-N 1 2 343.496 3.729 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179918091 1127100237 /nfs/dbraw/zinc/10/02/37/1127100237.db2.gz FJQBYVWZPVSATA-CQSZACIVSA-N 1 2 343.496 3.729 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000180172539 1127128802 /nfs/dbraw/zinc/12/88/02/1127128802.db2.gz MEOFQPFKEGKHCY-SAPNQHFASA-N 1 2 330.435 3.864 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000180172539 1127128804 /nfs/dbraw/zinc/12/88/04/1127128804.db2.gz MEOFQPFKEGKHCY-SAPNQHFASA-N 1 2 330.435 3.864 20 0 EHADLO CCO[C@H](C)c1nc(CN(C)Cc2cccc3[nH+]ccn32)cs1 ZINC000180516748 1127168338 /nfs/dbraw/zinc/16/83/38/1127168338.db2.gz GSGTXVRZCZRVKV-CYBMUJFWSA-N 1 2 330.457 3.520 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(-n2cccn2)cc1 ZINC000180835901 1127189063 /nfs/dbraw/zinc/18/90/63/1127189063.db2.gz VOKAVXKNWGSCIN-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO c1coc([C@@H](CN[C@@H]2CCCc3scnc32)[NH+]2CCCCC2)c1 ZINC000623850687 1127197247 /nfs/dbraw/zinc/19/72/47/1127197247.db2.gz ODDNXUPNJGEFOX-HUUCEWRRSA-N 1 2 331.485 3.930 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]Cc2cccnc2OCC(F)(F)F)n1 ZINC000623860337 1127200028 /nfs/dbraw/zinc/20/00/28/1127200028.db2.gz SDIRJHSABVGMRW-SNVBAGLBSA-N 1 2 331.363 3.638 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)c(O[C@H]2CCOC2)c1 ZINC000623905126 1127212648 /nfs/dbraw/zinc/21/26/48/1127212648.db2.gz RVNNJMVBXAVKFL-JKSUJKDBSA-N 1 2 344.480 3.786 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(Cc3cccnc3)CC1)nc1ccccc12 ZINC000624080163 1127248158 /nfs/dbraw/zinc/24/81/58/1127248158.db2.gz HFYZXJIQHBWIGG-UHFFFAOYSA-N 1 2 343.434 3.737 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000181376796 1127274882 /nfs/dbraw/zinc/27/48/82/1127274882.db2.gz QXGNQIRKHZJDST-KRWDZBQOSA-N 1 2 333.476 3.641 20 0 EHADLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000182015798 1127308108 /nfs/dbraw/zinc/30/81/08/1127308108.db2.gz QXZRINRIXGATBI-HNNXBMFYSA-N 1 2 344.480 3.992 20 0 EHADLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000182015798 1127308113 /nfs/dbraw/zinc/30/81/13/1127308113.db2.gz QXZRINRIXGATBI-HNNXBMFYSA-N 1 2 344.480 3.992 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)NCCn1cc[nH+]c1 ZINC000182312354 1127323079 /nfs/dbraw/zinc/32/30/79/1127323079.db2.gz XRHOQBOKEPKSRW-UHFFFAOYSA-N 1 2 337.876 3.859 20 0 EHADLO C[C@@H](NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccn1C ZINC000182388643 1127327301 /nfs/dbraw/zinc/32/73/01/1127327301.db2.gz KSCCYWAAUPHOTH-PBHICJAKSA-N 1 2 332.879 3.561 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1F ZINC000360111566 1127337267 /nfs/dbraw/zinc/33/72/67/1127337267.db2.gz CVEFICSOPHZJHE-QWHCGFSZSA-N 1 2 332.423 3.564 20 0 EHADLO O=C1c2cc(F)ccc2CN1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186141945 1127338405 /nfs/dbraw/zinc/33/84/05/1127338405.db2.gz RAOQBRBMAAPYNS-UHFFFAOYSA-N 1 2 330.428 3.680 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1OC(F)F ZINC000182872812 1127351876 /nfs/dbraw/zinc/35/18/76/1127351876.db2.gz JHFFARLKPFBSOZ-CYBMUJFWSA-N 1 2 349.381 3.693 20 0 EHADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000182912910 1127354027 /nfs/dbraw/zinc/35/40/27/1127354027.db2.gz VUOBKLZZXIJNEL-CYBMUJFWSA-N 1 2 339.370 3.956 20 0 EHADLO CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182933561 1127355414 /nfs/dbraw/zinc/35/54/14/1127355414.db2.gz NEFDMSXJYVLSFI-UHFFFAOYSA-N 1 2 345.324 3.562 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000183353850 1127373663 /nfs/dbraw/zinc/37/36/63/1127373663.db2.gz DKDWNSZPOHSASZ-HNAYVOBHSA-N 1 2 331.435 3.640 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000183353850 1127373667 /nfs/dbraw/zinc/37/36/67/1127373667.db2.gz DKDWNSZPOHSASZ-HNAYVOBHSA-N 1 2 331.435 3.640 20 0 EHADLO CC1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183355149 1127374546 /nfs/dbraw/zinc/37/45/46/1127374546.db2.gz GXSJLRVECBAWFT-HXUWFJFHSA-N 1 2 327.447 3.632 20 0 EHADLO Cn1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c(C(F)(F)F)n1 ZINC000183805514 1127387593 /nfs/dbraw/zinc/38/75/93/1127387593.db2.gz OVTJGRQSQKMJCV-OAHLLOKOSA-N 1 2 335.329 3.911 20 0 EHADLO CC[C@H]([NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)C(N)=O ZINC000183732506 1127384935 /nfs/dbraw/zinc/38/49/35/1127384935.db2.gz VXWZSHNSDRZFET-JKSUJKDBSA-N 1 2 337.250 3.936 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000184152452 1127396475 /nfs/dbraw/zinc/39/64/75/1127396475.db2.gz PGOOHXCADPPAOG-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](CC)C(=O)Nc2ccc(OC)cc2)cs1 ZINC000184703809 1127411683 /nfs/dbraw/zinc/41/16/83/1127411683.db2.gz VYMNUEYKANUUPP-WFASDCNBSA-N 1 2 347.484 3.782 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cl)c1ccc(C)o1 ZINC000184731307 1127412682 /nfs/dbraw/zinc/41/26/82/1127412682.db2.gz KMAJLJCFSJEXGG-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccccc2C(C)C)o1 ZINC000184800420 1127413674 /nfs/dbraw/zinc/41/36/74/1127413674.db2.gz SQMOYZCJAQNMAV-GOSISDBHSA-N 1 2 344.455 3.881 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000185074625 1127419945 /nfs/dbraw/zinc/41/99/45/1127419945.db2.gz PSGWAPTXYUVPFG-GFCCVEGCSA-N 1 2 343.374 3.841 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)c1nccs1 ZINC000185106565 1127420443 /nfs/dbraw/zinc/42/04/43/1127420443.db2.gz CVZLFOMHXMWYFF-DOTOQJQBSA-N 1 2 349.475 3.836 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000764079241 1127442539 /nfs/dbraw/zinc/44/25/39/1127442539.db2.gz UQTYUSPAGHYTNW-XZOAIXRZSA-N 1 2 348.393 3.531 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000764079241 1127442541 /nfs/dbraw/zinc/44/25/41/1127442541.db2.gz UQTYUSPAGHYTNW-XZOAIXRZSA-N 1 2 348.393 3.531 20 0 EHADLO S=c1sc(C2CC2)nn1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000764121515 1127447382 /nfs/dbraw/zinc/44/73/82/1127447382.db2.gz REGIWUDEOCEHMC-UHFFFAOYSA-N 1 2 347.509 3.804 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001127741010 1127468631 /nfs/dbraw/zinc/46/86/31/1127468631.db2.gz SEHQOQCCXSVRQN-HNNXBMFYSA-N 1 2 343.496 3.648 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001127741010 1127468635 /nfs/dbraw/zinc/46/86/35/1127468635.db2.gz SEHQOQCCXSVRQN-HNNXBMFYSA-N 1 2 343.496 3.648 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000764783475 1127531112 /nfs/dbraw/zinc/53/11/12/1127531112.db2.gz MGYOOXFZGAWQBT-UONOGXRCSA-N 1 2 343.389 3.824 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccccc2)CC1 ZINC000764926930 1127553468 /nfs/dbraw/zinc/55/34/68/1127553468.db2.gz DQNHAZKVDJKKKB-AWEZNQCLSA-N 1 2 331.510 3.824 20 0 EHADLO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000765087421 1127572239 /nfs/dbraw/zinc/57/22/39/1127572239.db2.gz LUBYQJFUYUTMKD-OAHLLOKOSA-N 1 2 328.481 3.657 20 0 EHADLO C[C@@H](CC1CC1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112735789 1127603170 /nfs/dbraw/zinc/60/31/70/1127603170.db2.gz QCKAEBKJLWFHRE-HRCADAONSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H](CC1CC1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112735789 1127603174 /nfs/dbraw/zinc/60/31/74/1127603174.db2.gz QCKAEBKJLWFHRE-HRCADAONSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1 ZINC000765417363 1127608951 /nfs/dbraw/zinc/60/89/51/1127608951.db2.gz QKFIMRCDVNJZAJ-QGZVFWFLSA-N 1 2 343.434 3.909 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)c1OC ZINC001168540909 1127614632 /nfs/dbraw/zinc/61/46/32/1127614632.db2.gz FKQMSIAWMGSJIR-QGZVFWFLSA-N 1 2 334.366 3.618 20 0 EHADLO Cc1nc2sc3c(c2c(NCCCn2cc[nH+]c2)n1)CC[C@H](C)C3 ZINC000015206502 1127651254 /nfs/dbraw/zinc/65/12/54/1127651254.db2.gz GARGTRHBKQVLFB-LBPRGKRZSA-N 1 2 341.484 3.823 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000016564141 1127663629 /nfs/dbraw/zinc/66/36/29/1127663629.db2.gz XGVRYARNHAPZHC-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000016564141 1127663631 /nfs/dbraw/zinc/66/36/31/1127663631.db2.gz XGVRYARNHAPZHC-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000023330003 1127696152 /nfs/dbraw/zinc/69/61/52/1127696152.db2.gz PHWZYRHWFPAMBG-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000023330003 1127696155 /nfs/dbraw/zinc/69/61/55/1127696155.db2.gz PHWZYRHWFPAMBG-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccccc1-c1ccccc1 ZINC000750992480 1127717181 /nfs/dbraw/zinc/71/71/81/1127717181.db2.gz JCGYWQFDMCZTHS-HNNXBMFYSA-N 1 2 336.464 3.925 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)o1 ZINC000921552491 1127727538 /nfs/dbraw/zinc/72/75/38/1127727538.db2.gz LMKKZWATTSFPIV-RISCZKNCSA-N 1 2 328.441 3.550 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)n1 ZINC000921583964 1127756971 /nfs/dbraw/zinc/75/69/71/1127756971.db2.gz WHVSZLSBGROCLB-UHFFFAOYSA-N 1 2 341.455 3.779 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cl ZINC000026215557 1127770668 /nfs/dbraw/zinc/77/06/68/1127770668.db2.gz WPJFQPHIDQWVJF-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)nn1C ZINC000624290303 1127791089 /nfs/dbraw/zinc/79/10/89/1127791089.db2.gz ZHADFPLNVUNVPO-NHYWBVRUSA-N 1 2 342.270 3.810 20 0 EHADLO O=C(CCn1ccc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029915652 1127810743 /nfs/dbraw/zinc/81/07/43/1127810743.db2.gz PKJAEFJEWSEIRY-UHFFFAOYSA-N 1 2 330.391 3.856 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196819 1127816102 /nfs/dbraw/zinc/81/61/02/1127816102.db2.gz HURJFTJJGLSYOE-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196819 1127816104 /nfs/dbraw/zinc/81/61/04/1127816104.db2.gz HURJFTJJGLSYOE-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000030220333 1127816184 /nfs/dbraw/zinc/81/61/84/1127816184.db2.gz WOMPFNQJSJBHKA-KRWDZBQOSA-N 1 2 333.435 3.741 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196820 1127816345 /nfs/dbraw/zinc/81/63/45/1127816345.db2.gz HURJFTJJGLSYOE-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196820 1127816348 /nfs/dbraw/zinc/81/63/48/1127816348.db2.gz HURJFTJJGLSYOE-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000030609081 1127822818 /nfs/dbraw/zinc/82/28/18/1127822818.db2.gz IKDFLLKKLJRWRW-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO CC(C)(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891209 1127842838 /nfs/dbraw/zinc/84/28/38/1127842838.db2.gz VLJBELJYSTXIFG-CQSZACIVSA-N 1 2 326.843 3.778 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C=C1CCCCC1 ZINC000265611042 1127852013 /nfs/dbraw/zinc/85/20/13/1127852013.db2.gz KWQCMJJMLAOASQ-UHFFFAOYSA-N 1 2 328.456 3.656 20 0 EHADLO Cc1nc(C(C)C)ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000338594470 1127873083 /nfs/dbraw/zinc/87/30/83/1127873083.db2.gz YGLQEZKCWHSVMV-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000338630746 1127937720 /nfs/dbraw/zinc/93/77/20/1127937720.db2.gz BKGYZIRYUUISAY-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000338630746 1127937725 /nfs/dbraw/zinc/93/77/25/1127937725.db2.gz BKGYZIRYUUISAY-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO CC(C)[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000045149919 1127946670 /nfs/dbraw/zinc/94/66/70/1127946670.db2.gz NQYHJIJXCKHWJD-SFHVURJKSA-N 1 2 326.444 3.580 20 0 EHADLO O=C(Nc1nc2ccccc2s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240003 1128004109 /nfs/dbraw/zinc/00/41/09/1128004109.db2.gz RBPAYBDPLAABJN-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO CC(C)(C)c1ccc(N)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362926 1128006284 /nfs/dbraw/zinc/00/62/84/1128006284.db2.gz VHZSRSJQXJYLQA-UHFFFAOYSA-N 1 2 326.444 3.542 20 0 EHADLO Nc1ccccc1-c1ccccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362975 1128009360 /nfs/dbraw/zinc/00/93/60/1128009360.db2.gz YBQOABVOAXEXIX-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO CC(=O)c1ccc(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212364798 1128029903 /nfs/dbraw/zinc/02/99/03/1128029903.db2.gz SRQDDHPGLVZSKT-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CCc1noc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000671708474 1128044061 /nfs/dbraw/zinc/04/40/61/1128044061.db2.gz FYQBHIKUVAQOCF-HNNXBMFYSA-N 1 2 341.333 3.772 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC(c1ccccc1)c1ccccc1 ZINC000057375508 1128045590 /nfs/dbraw/zinc/04/55/90/1128045590.db2.gz WXJJHHCIDPEZHM-UHFFFAOYSA-N 1 2 348.450 3.752 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000057441578 1128049340 /nfs/dbraw/zinc/04/93/40/1128049340.db2.gz SDAGQFPWUGAUCL-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(-n3cccc3)cc2)c1C ZINC000058958273 1128086033 /nfs/dbraw/zinc/08/60/33/1128086033.db2.gz SFEIPSPNYDSKSP-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO O=C(CCCOc1ccccc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000059877746 1128091757 /nfs/dbraw/zinc/09/17/57/1128091757.db2.gz BGXQULPDJONUSE-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282217949 1128093793 /nfs/dbraw/zinc/09/37/93/1128093793.db2.gz HADLKUUXPITJMP-QGZVFWFLSA-N 1 2 337.467 3.856 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2c(s1)CCCCCC2 ZINC000060408210 1128100948 /nfs/dbraw/zinc/10/09/48/1128100948.db2.gz XCFPEEZUCRYPNP-UHFFFAOYSA-N 1 2 331.485 3.814 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000060478223 1128103826 /nfs/dbraw/zinc/10/38/26/1128103826.db2.gz UKBJXECQIRBKBY-UHFFFAOYSA-N 1 2 344.405 3.831 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000060478223 1128103828 /nfs/dbraw/zinc/10/38/28/1128103828.db2.gz UKBJXECQIRBKBY-UHFFFAOYSA-N 1 2 344.405 3.831 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000061780062 1128128503 /nfs/dbraw/zinc/12/85/03/1128128503.db2.gz NZZPHJQLMLZMJS-JKSUJKDBSA-N 1 2 328.431 3.566 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000061780062 1128128505 /nfs/dbraw/zinc/12/85/05/1128128505.db2.gz NZZPHJQLMLZMJS-JKSUJKDBSA-N 1 2 328.431 3.566 20 0 EHADLO O=C(C[C@H]1C=CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254506 1128132308 /nfs/dbraw/zinc/13/23/08/1128132308.db2.gz JELURJWLQMNSAG-IRXDYDNUSA-N 1 2 327.472 3.672 20 0 EHADLO CCOc1nnc(C[N@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)s1 ZINC000063559275 1128147630 /nfs/dbraw/zinc/14/76/30/1128147630.db2.gz VSLOOFDWJYCKGW-CYBMUJFWSA-N 1 2 347.484 3.746 20 0 EHADLO CCOc1nnc(C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)s1 ZINC000063559275 1128147632 /nfs/dbraw/zinc/14/76/32/1128147632.db2.gz VSLOOFDWJYCKGW-CYBMUJFWSA-N 1 2 347.484 3.746 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000063618873 1128149395 /nfs/dbraw/zinc/14/93/95/1128149395.db2.gz HPFUUTDOTBKFPJ-CQSZACIVSA-N 1 2 348.447 3.550 20 0 EHADLO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000063618873 1128149398 /nfs/dbraw/zinc/14/93/98/1128149398.db2.gz HPFUUTDOTBKFPJ-CQSZACIVSA-N 1 2 348.447 3.550 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000067680681 1128246343 /nfs/dbraw/zinc/24/63/43/1128246343.db2.gz AQFBSLAMLDXMAX-UHFFFAOYSA-N 1 2 341.798 3.868 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671762974 1128251252 /nfs/dbraw/zinc/25/12/52/1128251252.db2.gz MUKQJRBVSOZTJS-SSDOTTSWSA-N 1 2 340.276 3.941 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)o1 ZINC000065964360 1128208422 /nfs/dbraw/zinc/20/84/22/1128208422.db2.gz DBWJMEXYVCNDQZ-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO Cc1noc(Cl)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000066048243 1128211051 /nfs/dbraw/zinc/21/10/51/1128211051.db2.gz NTWIEAPYPMZJGW-UHFFFAOYSA-N 1 2 348.765 3.533 20 0 EHADLO CC(C)CCO[C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000068881981 1128278142 /nfs/dbraw/zinc/27/81/42/1128278142.db2.gz HNNCQTNYUDFVTR-AWEZNQCLSA-N 1 2 339.505 3.519 20 0 EHADLO O=C(CSc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069299373 1128285630 /nfs/dbraw/zinc/28/56/30/1128285630.db2.gz ZDBOKCLACPYJCM-UHFFFAOYSA-N 1 2 347.509 3.860 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000072580422 1128301878 /nfs/dbraw/zinc/30/18/78/1128301878.db2.gz NEAOSAAHQWWRDP-AWEZNQCLSA-N 1 2 337.345 3.826 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000072580422 1128301882 /nfs/dbraw/zinc/30/18/82/1128301882.db2.gz NEAOSAAHQWWRDP-AWEZNQCLSA-N 1 2 337.345 3.826 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000073018822 1128313845 /nfs/dbraw/zinc/31/38/45/1128313845.db2.gz ICBPQKAMAAFIGI-SFHVURJKSA-N 1 2 339.826 3.637 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073252398 1128319114 /nfs/dbraw/zinc/31/91/14/1128319114.db2.gz HMFJPCWUXWSKTP-INIZCTEOSA-N 1 2 331.366 3.622 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073252398 1128319116 /nfs/dbraw/zinc/31/91/16/1128319116.db2.gz HMFJPCWUXWSKTP-INIZCTEOSA-N 1 2 331.366 3.622 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(OC(C)C)s2)c1C ZINC000074015957 1128333775 /nfs/dbraw/zinc/33/37/75/1128333775.db2.gz NMBUVDQLOSAFGG-UHFFFAOYSA-N 1 2 325.459 3.638 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccccc2)cc1 ZINC000074250249 1128337420 /nfs/dbraw/zinc/33/74/20/1128337420.db2.gz CTTZNCQJIYMMTH-UHFFFAOYSA-N 1 2 345.446 3.859 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000186234597 1128354211 /nfs/dbraw/zinc/35/42/11/1128354211.db2.gz DMRBKGAUAYIBGE-ONGXEEELSA-N 1 2 332.213 3.514 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCC[C@H]3COc3ccccc3)no2)cs1 ZINC000113508994 1128367333 /nfs/dbraw/zinc/36/73/33/1128367333.db2.gz GTWYGBMRQIJYPN-HNNXBMFYSA-N 1 2 341.436 3.842 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCC[C@H]3COc3ccccc3)no2)cs1 ZINC000113508994 1128367335 /nfs/dbraw/zinc/36/73/35/1128367335.db2.gz GTWYGBMRQIJYPN-HNNXBMFYSA-N 1 2 341.436 3.842 20 0 EHADLO FC1(F)CCCN(c2cc(N3CCCC(F)(F)CC3)[nH+]cn2)CC1 ZINC000624521221 1128384334 /nfs/dbraw/zinc/38/43/34/1128384334.db2.gz YASHZXOEHCDHCT-UHFFFAOYSA-N 1 2 346.372 3.728 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000127297280 1128400393 /nfs/dbraw/zinc/40/03/93/1128400393.db2.gz UBSLUTTVBKUWEH-HNAYVOBHSA-N 1 2 338.455 3.877 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCc2c1cccc2C(F)(F)F ZINC001670977148 1128403723 /nfs/dbraw/zinc/40/37/23/1128403723.db2.gz LGYWYVXAWXDBSM-UHFFFAOYSA-N 1 2 346.312 3.948 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cncnc3)no2)cc1 ZINC000624661290 1128421930 /nfs/dbraw/zinc/42/19/30/1128421930.db2.gz XSJRZMJBHMZOFY-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cncnc3)no2)cc1 ZINC000624661290 1128421932 /nfs/dbraw/zinc/42/19/32/1128421932.db2.gz XSJRZMJBHMZOFY-HNNXBMFYSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H](C)c3cnn(C)c3)cc2)[nH+]c1C ZINC000921656872 1128437955 /nfs/dbraw/zinc/43/79/55/1128437955.db2.gz UIRZVNOUHULLRN-GFCCVEGCSA-N 1 2 337.427 3.559 20 0 EHADLO CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921657701 1128438578 /nfs/dbraw/zinc/43/85/78/1128438578.db2.gz ZASNZGPDZVRLFY-NVXWUHKLSA-N 1 2 327.428 3.837 20 0 EHADLO CCc1csc(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)n1 ZINC000921658873 1128439362 /nfs/dbraw/zinc/43/93/62/1128439362.db2.gz FSWAJUGZVGMPIR-UHFFFAOYSA-N 1 2 340.452 3.894 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cc2)[nH+]c1C ZINC000921661924 1128440964 /nfs/dbraw/zinc/44/09/64/1128440964.db2.gz JVKCOLMSARGIHX-IAQYHMDHSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)cc2)[nH+]c1C ZINC000921663770 1128441624 /nfs/dbraw/zinc/44/16/24/1128441624.db2.gz ZQCNGHAYGOHSJP-UHFFFAOYSA-N 1 2 348.406 3.924 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3CC4(CSC4)C3)cc2)[nH+]c1C ZINC000921667897 1128447163 /nfs/dbraw/zinc/44/71/63/1128447163.db2.gz BIRBSLQIVRZVOB-UHFFFAOYSA-N 1 2 327.453 3.775 20 0 EHADLO CCCCc1noc(C[NH+]2CCC3(CC2)OCCc2ccsc23)n1 ZINC000352796324 1128452423 /nfs/dbraw/zinc/45/24/23/1128452423.db2.gz OFIOLWKARUADIJ-UHFFFAOYSA-N 1 2 347.484 3.538 20 0 EHADLO CC(=O)n1ncc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc21 ZINC001212412325 1128478730 /nfs/dbraw/zinc/47/87/30/1128478730.db2.gz QXGJQQZTBBBNCK-UHFFFAOYSA-N 1 2 335.411 3.825 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265708863 1128480983 /nfs/dbraw/zinc/48/09/83/1128480983.db2.gz KZUXWTCFWSOWAK-UHFFFAOYSA-N 1 2 338.411 3.705 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)c2cc(F)ccc2O1 ZINC000655799706 1128486192 /nfs/dbraw/zinc/48/61/92/1128486192.db2.gz NMYBQSJAXXLHMF-QGZVFWFLSA-N 1 2 329.419 3.751 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000369291744 1128521450 /nfs/dbraw/zinc/52/14/50/1128521450.db2.gz BEABIUVCOSWZLU-APWZRJJASA-N 1 2 339.483 3.882 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000465738204 1128608113 /nfs/dbraw/zinc/60/81/13/1128608113.db2.gz OYJUDSTTYGQONU-FQEVSTJZSA-N 1 2 340.471 3.984 20 0 EHADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057373187 1128632569 /nfs/dbraw/zinc/63/25/69/1128632569.db2.gz RKBRDXDXDTYBEY-CQSZACIVSA-N 1 2 334.851 3.719 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4cccc(F)c4)C3)ccc2[nH+]1 ZINC000265732997 1128720976 /nfs/dbraw/zinc/72/09/76/1128720976.db2.gz STFXTHCAEUGVFQ-OAHLLOKOSA-N 1 2 338.386 3.803 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000347670375 1128795371 /nfs/dbraw/zinc/79/53/71/1128795371.db2.gz KKIOIYSAZXIONW-LLVKDONJSA-N 1 2 345.447 3.585 20 0 EHADLO O=C(CCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000338748713 1128837957 /nfs/dbraw/zinc/83/79/57/1128837957.db2.gz RIPDKKYNOBOOAS-UHFFFAOYSA-N 1 2 339.439 3.559 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000111292254 1128857479 /nfs/dbraw/zinc/85/74/79/1128857479.db2.gz YUCSDVHPVORSSG-QGZVFWFLSA-N 1 2 347.528 3.778 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000111292254 1128857486 /nfs/dbraw/zinc/85/74/86/1128857486.db2.gz YUCSDVHPVORSSG-QGZVFWFLSA-N 1 2 347.528 3.778 20 0 EHADLO COc1c[nH+]c(N[C@@H]2CCC(F)(F)C2)nc1N[C@H]1CCC(F)(F)C1 ZINC000672238115 1128871476 /nfs/dbraw/zinc/87/14/76/1128871476.db2.gz XEJFHEAIGFHPRH-VHSXEESVSA-N 1 2 348.344 3.685 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)ccc1F ZINC000354946519 1128880050 /nfs/dbraw/zinc/88/00/50/1128880050.db2.gz BUTGYCXBTMPUKD-UHFFFAOYSA-N 1 2 330.388 3.552 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)ccc1F ZINC000354946519 1128880057 /nfs/dbraw/zinc/88/00/57/1128880057.db2.gz BUTGYCXBTMPUKD-UHFFFAOYSA-N 1 2 330.388 3.552 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cs1 ZINC000111406815 1120017911 /nfs/dbraw/zinc/01/79/11/1120017911.db2.gz DJOLIQHHGLLLLQ-NSHDSACASA-N 1 2 336.457 3.582 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001648808600 1120045014 /nfs/dbraw/zinc/04/50/14/1120045014.db2.gz WIQGNSOPEGKFLF-UHFFFAOYSA-N 1 2 343.446 3.898 20 0 EHADLO CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCC[N@H+](CCF)C3)CC2)cc1 ZINC001648880491 1120059878 /nfs/dbraw/zinc/05/98/78/1120059878.db2.gz KQDVAZONTHGCMT-GOSISDBHSA-N 1 2 346.490 3.566 20 0 EHADLO CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+](CCF)C3)CC2)cc1 ZINC001648880491 1120059884 /nfs/dbraw/zinc/05/98/84/1120059884.db2.gz KQDVAZONTHGCMT-GOSISDBHSA-N 1 2 346.490 3.566 20 0 EHADLO Cc1cccn2cc(Cc3noc(CCCc4cccs4)n3)[nH+]c12 ZINC000547095407 1128892582 /nfs/dbraw/zinc/89/25/82/1128892582.db2.gz NYXCPFYZGBNZBR-UHFFFAOYSA-N 1 2 338.436 3.853 20 0 EHADLO CSc1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000148333781 1120170269 /nfs/dbraw/zinc/17/02/69/1120170269.db2.gz KFSMITBCGVSXGN-QGZVFWFLSA-N 1 2 329.465 3.688 20 0 EHADLO CSc1ccccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000148333781 1120170271 /nfs/dbraw/zinc/17/02/71/1120170271.db2.gz KFSMITBCGVSXGN-QGZVFWFLSA-N 1 2 329.465 3.688 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2cccc(Cl)c2C1 ZINC001687362728 1120175936 /nfs/dbraw/zinc/17/59/36/1120175936.db2.gz FMMKREDYDLIVAR-SFHVURJKSA-N 1 2 341.842 3.552 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2cccc(Cl)c2C1 ZINC001687362728 1120175940 /nfs/dbraw/zinc/17/59/40/1120175940.db2.gz FMMKREDYDLIVAR-SFHVURJKSA-N 1 2 341.842 3.552 20 0 EHADLO COc1cc2c(cc1CNc1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000613282992 1120207410 /nfs/dbraw/zinc/20/74/10/1120207410.db2.gz IGGZLQQJPBBIFD-AWEZNQCLSA-N 1 2 335.407 3.816 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000008118311 1128903624 /nfs/dbraw/zinc/90/36/24/1128903624.db2.gz NPVLPLHPLIEZDM-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000008118311 1128903626 /nfs/dbraw/zinc/90/36/26/1128903626.db2.gz NPVLPLHPLIEZDM-LBPRGKRZSA-N 1 2 332.806 3.864 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000184463419 1120377115 /nfs/dbraw/zinc/37/71/15/1120377115.db2.gz PINMDIZKWAVZHE-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000184463419 1120377122 /nfs/dbraw/zinc/37/71/22/1120377122.db2.gz PINMDIZKWAVZHE-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)c1 ZINC000186285880 1120453576 /nfs/dbraw/zinc/45/35/76/1120453576.db2.gz IPLJOGOLYFJUGI-CYBMUJFWSA-N 1 2 331.485 3.867 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@H](c3ccccc3)C3CC3)n2)cc1 ZINC000186424090 1120459934 /nfs/dbraw/zinc/45/99/34/1120459934.db2.gz XRUOJOWZSNVNRD-HXUWFJFHSA-N 1 2 334.423 3.625 20 0 EHADLO C[C@@H](Nc1ccccc1OCCn1cc[nH+]c1)C1CCSCC1 ZINC000187509388 1120501302 /nfs/dbraw/zinc/50/13/02/1120501302.db2.gz YFUKUFWOFWVKPU-OAHLLOKOSA-N 1 2 331.485 3.906 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494268949 1120525258 /nfs/dbraw/zinc/52/52/58/1120525258.db2.gz SYJGTCCQTLINKK-DTQAZKPQSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494268949 1120525261 /nfs/dbraw/zinc/52/52/61/1120525261.db2.gz SYJGTCCQTLINKK-DTQAZKPQSA-N 1 2 336.435 3.863 20 0 EHADLO CCCc1csc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)n1 ZINC000494337483 1120532646 /nfs/dbraw/zinc/53/26/46/1120532646.db2.gz DYCKJIPDFLJXLT-INIZCTEOSA-N 1 2 329.473 3.625 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000494430067 1120556240 /nfs/dbraw/zinc/55/62/40/1120556240.db2.gz ZIOQDPVWILUGOX-UHFFFAOYSA-N 1 2 343.427 3.864 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000494500547 1120573270 /nfs/dbraw/zinc/57/32/70/1120573270.db2.gz FABKETVEWBHEMP-DYQSUWPFSA-N 1 2 339.798 3.605 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190446925 1120637785 /nfs/dbraw/zinc/63/77/85/1120637785.db2.gz VLAWXPFTQIJAFO-LLVKDONJSA-N 1 2 338.249 3.525 20 0 EHADLO COc1ccc2[nH]c(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2c1 ZINC000190722567 1120648625 /nfs/dbraw/zinc/64/86/25/1120648625.db2.gz BKASLZSYSYJOTB-UHFFFAOYSA-N 1 2 332.363 3.819 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)[nH+]1 ZINC000191027116 1120659315 /nfs/dbraw/zinc/65/93/15/1120659315.db2.gz KAFMTJVZNYVVPM-SECBINFHSA-N 1 2 341.358 3.750 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153108993 1120697660 /nfs/dbraw/zinc/69/76/60/1120697660.db2.gz MKACMWBFGMGCBM-AWEZNQCLSA-N 1 2 326.535 3.623 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153108993 1120697662 /nfs/dbraw/zinc/69/76/62/1120697662.db2.gz MKACMWBFGMGCBM-AWEZNQCLSA-N 1 2 326.535 3.623 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)c1cn[nH]c1 ZINC000494621715 1120701159 /nfs/dbraw/zinc/70/11/59/1120701159.db2.gz TYXUMYGTRHREGH-SNVBAGLBSA-N 1 2 347.216 3.678 20 0 EHADLO CC(C)CCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000193887755 1120806881 /nfs/dbraw/zinc/80/68/81/1120806881.db2.gz QOEXZVJXWNUMJS-UHFFFAOYSA-N 1 2 341.455 3.540 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1F)CC1CC1)Nc1ccccc1F ZINC000194268141 1120831752 /nfs/dbraw/zinc/83/17/52/1120831752.db2.gz XKDHURFZYORNDX-UHFFFAOYSA-N 1 2 330.378 3.816 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1F)CC1CC1)Nc1ccccc1F ZINC000194268141 1120831757 /nfs/dbraw/zinc/83/17/57/1120831757.db2.gz XKDHURFZYORNDX-UHFFFAOYSA-N 1 2 330.378 3.816 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)c1c(C)nn(C)c1C ZINC000542526154 1120913033 /nfs/dbraw/zinc/91/30/33/1120913033.db2.gz CIJCKNFJBLQFBY-MRXNPFEDSA-N 1 2 339.443 3.636 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)sc1C ZINC000494987766 1120923950 /nfs/dbraw/zinc/92/39/50/1120923950.db2.gz VPYHMHBCRYITQJ-UHFFFAOYSA-N 1 2 327.906 3.797 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153280076 1120936094 /nfs/dbraw/zinc/93/60/94/1120936094.db2.gz KWGSTCPZONPMMO-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153280076 1120936098 /nfs/dbraw/zinc/93/60/98/1120936098.db2.gz KWGSTCPZONPMMO-INIZCTEOSA-N 1 2 343.446 3.765 20 0 EHADLO C[C@H]1CCc2nc(C[NH2+]C3(C(=O)Nc4ccccc4)CC3)sc2C1 ZINC000495178877 1120980585 /nfs/dbraw/zinc/98/05/85/1120980585.db2.gz VZKGPRRZEKUZMK-ZDUSSCGKSA-N 1 2 341.480 3.529 20 0 EHADLO COCC[N@H+](CC(C)C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000914783647 1120984597 /nfs/dbraw/zinc/98/45/97/1120984597.db2.gz GZVRHNAIJXLZIF-UHFFFAOYSA-N 1 2 335.473 3.743 20 0 EHADLO COCC[N@@H+](CC(C)C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000914783647 1120984599 /nfs/dbraw/zinc/98/45/99/1120984599.db2.gz GZVRHNAIJXLZIF-UHFFFAOYSA-N 1 2 335.473 3.743 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000762071186 1121091476 /nfs/dbraw/zinc/09/14/76/1121091476.db2.gz HWEYECBGRJGXCF-UHFFFAOYSA-N 1 2 349.362 3.838 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000302754868 1121100894 /nfs/dbraw/zinc/10/08/94/1121100894.db2.gz JVZYYXCLGNCXKP-ZDUSSCGKSA-N 1 2 335.860 3.744 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000302754868 1121100899 /nfs/dbraw/zinc/10/08/99/1121100899.db2.gz JVZYYXCLGNCXKP-ZDUSSCGKSA-N 1 2 335.860 3.744 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000303520060 1121155457 /nfs/dbraw/zinc/15/54/57/1121155457.db2.gz YUVXDZAUGJWYAM-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000303520060 1121155459 /nfs/dbraw/zinc/15/54/59/1121155459.db2.gz YUVXDZAUGJWYAM-SOLBZPMBSA-N 1 2 340.467 3.516 20 0 EHADLO C[N@H+](CCCOc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O ZINC000915204525 1121248218 /nfs/dbraw/zinc/24/82/18/1121248218.db2.gz SKLCCPJPJFNKAH-UHFFFAOYSA-N 1 2 346.814 3.606 20 0 EHADLO C[N@@H+](CCCOc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O ZINC000915204525 1121248223 /nfs/dbraw/zinc/24/82/23/1121248223.db2.gz SKLCCPJPJFNKAH-UHFFFAOYSA-N 1 2 346.814 3.606 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000053601589 1121312384 /nfs/dbraw/zinc/31/23/84/1121312384.db2.gz IBJBVPCMMLUHKM-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO c1cn(Cc2ccc(-c3nc(COCc4ccccc4)no3)cc2)c[nH+]1 ZINC000356435159 1128977251 /nfs/dbraw/zinc/97/72/51/1128977251.db2.gz WTOJOENGTBKREC-UHFFFAOYSA-N 1 2 346.390 3.698 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1F)Cn1cnc(-c2ccccn2)n1 ZINC000762489890 1121325776 /nfs/dbraw/zinc/32/57/76/1121325776.db2.gz VEZFUVKTBNSWSK-UHFFFAOYSA-N 1 2 339.418 3.595 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1F)Cn1cnc(-c2ccccn2)n1 ZINC000762489890 1121325786 /nfs/dbraw/zinc/32/57/86/1121325786.db2.gz VEZFUVKTBNSWSK-UHFFFAOYSA-N 1 2 339.418 3.595 20 0 EHADLO CNc1ccc(Nc2cc(C)c(Cl)nc2Br)c[nH+]1 ZINC001203452253 1121380609 /nfs/dbraw/zinc/38/06/09/1121380609.db2.gz LTSKRCGCDUYHCP-UHFFFAOYSA-N 1 2 327.613 3.986 20 0 EHADLO COc1ccccc1C[NH+]1CCN([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168492765 1121395827 /nfs/dbraw/zinc/39/58/27/1121395827.db2.gz WXLKVQZHRVCJNK-QGZVFWFLSA-N 1 2 342.458 3.583 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000495751235 1121400715 /nfs/dbraw/zinc/40/07/15/1121400715.db2.gz XFZOGJNBUJMUOR-AWEZNQCLSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000495751235 1121400717 /nfs/dbraw/zinc/40/07/17/1121400717.db2.gz XFZOGJNBUJMUOR-AWEZNQCLSA-N 1 2 337.489 3.510 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccsc1Br ZINC000282321878 1128995920 /nfs/dbraw/zinc/99/59/20/1128995920.db2.gz UFSYHHHSFJZRKG-UHFFFAOYSA-N 1 2 348.697 3.750 20 0 EHADLO COc1ccc(CNc2ccc(N(C)C)[nH+]c2)c(Br)c1 ZINC000336841298 1121601026 /nfs/dbraw/zinc/60/10/26/1121601026.db2.gz RJJXAAMROUPKLJ-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO C[C@H](Cc1cccc(F)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001168498941 1121629226 /nfs/dbraw/zinc/62/92/26/1121629226.db2.gz ACAVJXVVRJDWFX-RHSMWYFYSA-N 1 2 326.406 3.562 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c[nH+]1 ZINC000763091453 1121680093 /nfs/dbraw/zinc/68/00/93/1121680093.db2.gz JNQSLZQPDLVPNU-GFCCVEGCSA-N 1 2 343.477 3.849 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3Br)[nH+]c12 ZINC000041284034 1121701710 /nfs/dbraw/zinc/70/17/10/1121701710.db2.gz APXBLODBPXSYEB-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000171750526 1121734152 /nfs/dbraw/zinc/73/41/52/1121734152.db2.gz HCNRZAQVZZHCSJ-HIFRSBDPSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000171750526 1121734154 /nfs/dbraw/zinc/73/41/54/1121734154.db2.gz HCNRZAQVZZHCSJ-HIFRSBDPSA-N 1 2 345.512 3.712 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000444154146 1121894805 /nfs/dbraw/zinc/89/48/05/1121894805.db2.gz ZFWAOWZILHWFKG-KRWDZBQOSA-N 1 2 346.519 3.916 20 0 EHADLO CCC[N@H+](Cc1cc(CC)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC001203227894 1121927422 /nfs/dbraw/zinc/92/74/22/1121927422.db2.gz KFDCIOQPXDFFFU-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1cc(CC)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC001203227894 1121927430 /nfs/dbraw/zinc/92/74/30/1121927430.db2.gz KFDCIOQPXDFFFU-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nc(-c2cccnc2)n1C1CC1 ZINC000763331525 1121961935 /nfs/dbraw/zinc/96/19/35/1121961935.db2.gz IULLHLVYYUPBIA-HNNXBMFYSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nc(-c2cccnc2)n1C1CC1 ZINC000763331525 1121961940 /nfs/dbraw/zinc/96/19/40/1121961940.db2.gz IULLHLVYYUPBIA-HNNXBMFYSA-N 1 2 341.484 3.500 20 0 EHADLO CC(C)n1ccnc1C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496187734 1121990372 /nfs/dbraw/zinc/99/03/72/1121990372.db2.gz HQSBURUPQOZIFW-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)n1ccnc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496187734 1121990378 /nfs/dbraw/zinc/99/03/78/1121990378.db2.gz HQSBURUPQOZIFW-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(C(F)(F)F)nc3n2CCCC3)CCS1 ZINC000638094700 1122044737 /nfs/dbraw/zinc/04/47/37/1122044737.db2.gz XADOMZBWBCSANQ-LLVKDONJSA-N 1 2 333.423 3.566 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3n2CCCC3)CCS1 ZINC000638094700 1122044745 /nfs/dbraw/zinc/04/47/45/1122044745.db2.gz XADOMZBWBCSANQ-LLVKDONJSA-N 1 2 333.423 3.566 20 0 EHADLO CC[C@@](O)(C[NH2+][C@@H](c1nccs1)c1ccccc1)C(F)(F)F ZINC000929919184 1122060838 /nfs/dbraw/zinc/06/08/38/1122060838.db2.gz LMFKVLBGSSQQHY-TZMCWYRMSA-N 1 2 330.375 3.526 20 0 EHADLO C[C@H]1[C@@H]([NH2+]Cc2cccc(O)c2Cl)CCN1Cc1ccccc1 ZINC000328200206 1122069111 /nfs/dbraw/zinc/06/91/11/1122069111.db2.gz FYYSCQACMRZJCJ-YOEHRIQHSA-N 1 2 330.859 3.798 20 0 EHADLO O=C(Oc1cccc2ncccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916380449 1122137438 /nfs/dbraw/zinc/13/74/38/1122137438.db2.gz ICTJKJZIMQYUSS-UHFFFAOYSA-N 1 2 329.359 3.699 20 0 EHADLO CCc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)o1 ZINC000496803641 1122183172 /nfs/dbraw/zinc/18/31/72/1122183172.db2.gz NGGJMPMAGNXUDM-UHFFFAOYSA-N 1 2 331.416 3.874 20 0 EHADLO CCOc1cc(Cl)ccc1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001127411451 1122191029 /nfs/dbraw/zinc/19/10/29/1122191029.db2.gz PKDQKGJQOVCLFH-UHFFFAOYSA-N 1 2 332.831 3.989 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000154130578 1122254305 /nfs/dbraw/zinc/25/43/05/1122254305.db2.gz WIDBXZDBIFISLC-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126258228 1122397230 /nfs/dbraw/zinc/39/72/30/1122397230.db2.gz NAVWZFFAGCWWQO-GOSISDBHSA-N 1 2 333.453 3.599 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126258228 1122397233 /nfs/dbraw/zinc/39/72/33/1122397233.db2.gz NAVWZFFAGCWWQO-GOSISDBHSA-N 1 2 333.453 3.599 20 0 EHADLO COc1ncccc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000126424091 1122405778 /nfs/dbraw/zinc/40/57/78/1122405778.db2.gz VSIZATJNFLLTKU-UHFFFAOYSA-N 1 2 341.636 3.796 20 0 EHADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1cccc(F)c1 ZINC000126736028 1122421545 /nfs/dbraw/zinc/42/15/45/1122421545.db2.gz DYPNQXWETVJJMO-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1cccc(F)c1 ZINC000126736028 1122421547 /nfs/dbraw/zinc/42/15/47/1122421547.db2.gz DYPNQXWETVJJMO-UHFFFAOYSA-N 1 2 337.398 3.694 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127174802 1122467903 /nfs/dbraw/zinc/46/79/03/1122467903.db2.gz GHZPCMMMJZZKND-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127174802 1122467909 /nfs/dbraw/zinc/46/79/09/1122467909.db2.gz GHZPCMMMJZZKND-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1scnc1C ZINC000066564862 1122474678 /nfs/dbraw/zinc/47/46/78/1122474678.db2.gz FZLFEQFAJYEHIY-UHFFFAOYSA-N 1 2 345.512 3.631 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000066564862 1122474682 /nfs/dbraw/zinc/47/46/82/1122474682.db2.gz FZLFEQFAJYEHIY-UHFFFAOYSA-N 1 2 345.512 3.631 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066565843 1122474691 /nfs/dbraw/zinc/47/46/91/1122474691.db2.gz UUDWLOUEEWJNPD-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565843 1122474695 /nfs/dbraw/zinc/47/46/95/1122474695.db2.gz UUDWLOUEEWJNPD-GFCCVEGCSA-N 1 2 335.498 3.632 20 0 EHADLO Fc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000917073069 1122478493 /nfs/dbraw/zinc/47/84/93/1122478493.db2.gz WXVUWCMLOSHJSQ-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO Fc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000917073069 1122478497 /nfs/dbraw/zinc/47/84/97/1122478497.db2.gz WXVUWCMLOSHJSQ-GOSISDBHSA-N 1 2 335.806 3.931 20 0 EHADLO CCCc1csc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000127387411 1122480996 /nfs/dbraw/zinc/48/09/96/1122480996.db2.gz JKWZDHKKLKOWBT-UHFFFAOYSA-N 1 2 326.425 3.593 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000066818452 1122485586 /nfs/dbraw/zinc/48/55/86/1122485586.db2.gz LMRXGVCVWBCNJL-UHFFFAOYSA-N 1 2 347.344 3.526 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127556000 1122493164 /nfs/dbraw/zinc/49/31/64/1122493164.db2.gz HNWYNFGKRKGBGZ-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127556000 1122493166 /nfs/dbraw/zinc/49/31/66/1122493166.db2.gz HNWYNFGKRKGBGZ-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(Cl)c(F)c1 ZINC000127720843 1122503634 /nfs/dbraw/zinc/50/36/34/1122503634.db2.gz PEYJKQLIQVVDMC-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(Cl)c(F)c1 ZINC000127720843 1122503641 /nfs/dbraw/zinc/50/36/41/1122503641.db2.gz PEYJKQLIQVVDMC-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ccccc2OC)n1 ZINC000127806461 1122508457 /nfs/dbraw/zinc/50/84/57/1122508457.db2.gz IICDNTRFNHFUND-ZDUSSCGKSA-N 1 2 335.473 3.567 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ccccc2OC)n1 ZINC000127806461 1122508461 /nfs/dbraw/zinc/50/84/61/1122508461.db2.gz IICDNTRFNHFUND-ZDUSSCGKSA-N 1 2 335.473 3.567 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000067462060 1122515946 /nfs/dbraw/zinc/51/59/46/1122515946.db2.gz NXQPOOLREXYVNF-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)CC2 ZINC000067462060 1122515950 /nfs/dbraw/zinc/51/59/50/1122515950.db2.gz NXQPOOLREXYVNF-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC1CCOCC1 ZINC000282325781 1129060439 /nfs/dbraw/zinc/06/04/39/1129060439.db2.gz MPRJXIBYFKVAPG-UHFFFAOYSA-N 1 2 327.428 3.921 20 0 EHADLO CC(C)(C)CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000128269268 1122545987 /nfs/dbraw/zinc/54/59/87/1122545987.db2.gz RYKLVXSERSBTBA-UHFFFAOYSA-N 1 2 329.444 3.548 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000497472964 1122560085 /nfs/dbraw/zinc/56/00/85/1122560085.db2.gz VTVQQTUDEPYUMZ-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000497472964 1122560088 /nfs/dbraw/zinc/56/00/88/1122560088.db2.gz VTVQQTUDEPYUMZ-NSHDSACASA-N 1 2 341.238 3.896 20 0 EHADLO CCC1CCC([N@H+](CN2c3ccccc3C(=O)C2=O)C2CC2)CC1 ZINC000917439270 1122603456 /nfs/dbraw/zinc/60/34/56/1122603456.db2.gz JKXXINJFRYYIFY-UHFFFAOYSA-N 1 2 326.440 3.607 20 0 EHADLO CCC1CCC([N@@H+](CN2c3ccccc3C(=O)C2=O)C2CC2)CC1 ZINC000917439270 1122603462 /nfs/dbraw/zinc/60/34/62/1122603462.db2.gz JKXXINJFRYYIFY-UHFFFAOYSA-N 1 2 326.440 3.607 20 0 EHADLO CC(C)Oc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194515086 1122712550 /nfs/dbraw/zinc/71/25/50/1122712550.db2.gz VDMVAZYVPPWENL-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1c(F)cccc1F ZINC000917939654 1122714504 /nfs/dbraw/zinc/71/45/04/1122714504.db2.gz QJPCBKMNKCZSMJ-MNLSVMLLSA-N 1 2 338.442 3.945 20 0 EHADLO FC(F)(F)c1cccc(NC(=S)NCCCCn2cc[nH+]c2)c1 ZINC000918165316 1122769950 /nfs/dbraw/zinc/76/99/50/1122769950.db2.gz DEVPLACFYJAFFZ-UHFFFAOYSA-N 1 2 342.390 3.669 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000763428641 1122816463 /nfs/dbraw/zinc/81/64/63/1122816463.db2.gz OACSRGBAWOKNKO-UHFFFAOYSA-N 1 2 344.471 3.847 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000763428641 1122816466 /nfs/dbraw/zinc/81/64/66/1122816466.db2.gz OACSRGBAWOKNKO-UHFFFAOYSA-N 1 2 344.471 3.847 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000130060703 1122875608 /nfs/dbraw/zinc/87/56/08/1122875608.db2.gz CSKHNXWWVWBKMB-QGZVFWFLSA-N 1 2 342.508 3.976 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000918740181 1122903149 /nfs/dbraw/zinc/90/31/49/1122903149.db2.gz HTPWXEGYUYQIDD-KRWDZBQOSA-N 1 2 347.890 3.894 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000918740181 1122903152 /nfs/dbraw/zinc/90/31/52/1122903152.db2.gz HTPWXEGYUYQIDD-KRWDZBQOSA-N 1 2 347.890 3.894 20 0 EHADLO COc1cc(C)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000672845651 1129086421 /nfs/dbraw/zinc/08/64/21/1129086421.db2.gz CMRHJJMYKXDZDH-MRXNPFEDSA-N 1 2 342.443 3.686 20 0 EHADLO Cn1c(C(=O)NNc2cc[nH+]cc2Cl)ccc1-c1ccc(F)cc1 ZINC000154816877 1122917663 /nfs/dbraw/zinc/91/76/63/1122917663.db2.gz ZHGHTJWAFFLOQD-UHFFFAOYSA-N 1 2 344.777 3.637 20 0 EHADLO O=C(COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)Nc1ccccc1 ZINC000556285697 1122917672 /nfs/dbraw/zinc/91/76/72/1122917672.db2.gz ZQUJSRWZPNWGCE-UHFFFAOYSA-N 1 2 347.418 3.904 20 0 EHADLO COc1cc(OC)c(C[N@H+](Cc2cccs2)C2CC2)c(OC)c1 ZINC000130254109 1122920706 /nfs/dbraw/zinc/92/07/06/1122920706.db2.gz PMNJPEFDOQAHMP-UHFFFAOYSA-N 1 2 333.453 3.939 20 0 EHADLO COc1cc(OC)c(C[N@@H+](Cc2cccs2)C2CC2)c(OC)c1 ZINC000130254109 1122920710 /nfs/dbraw/zinc/92/07/10/1122920710.db2.gz PMNJPEFDOQAHMP-UHFFFAOYSA-N 1 2 333.453 3.939 20 0 EHADLO CCCn1cc(C[N@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000130385492 1122947463 /nfs/dbraw/zinc/94/74/63/1122947463.db2.gz WXQXEEWYBKTRTB-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO CCCn1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)cn1 ZINC000130385492 1122947466 /nfs/dbraw/zinc/94/74/66/1122947466.db2.gz WXQXEEWYBKTRTB-UHFFFAOYSA-N 1 2 340.240 3.827 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000130463829 1122953069 /nfs/dbraw/zinc/95/30/69/1122953069.db2.gz DHPUITAWNVJATJ-UHFFFAOYSA-N 1 2 331.847 3.716 20 0 EHADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000130463829 1122953073 /nfs/dbraw/zinc/95/30/73/1122953073.db2.gz DHPUITAWNVJATJ-UHFFFAOYSA-N 1 2 331.847 3.716 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c(Cl)c1 ZINC000556431461 1122974419 /nfs/dbraw/zinc/97/44/19/1122974419.db2.gz XLRKMJSZWWZIBK-UHFFFAOYSA-N 1 2 341.842 3.883 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)c1 ZINC000010226193 1123102810 /nfs/dbraw/zinc/10/28/10/1123102810.db2.gz MFDFHMLMCSRGMV-SFHVURJKSA-N 1 2 328.387 3.610 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)c1 ZINC000010226193 1123102813 /nfs/dbraw/zinc/10/28/13/1123102813.db2.gz MFDFHMLMCSRGMV-SFHVURJKSA-N 1 2 328.387 3.610 20 0 EHADLO CC1CCC([N@H+](Cc2csnn2)Cc2ccc3c(c2)OCO3)CC1 ZINC000131480179 1123119560 /nfs/dbraw/zinc/11/95/60/1123119560.db2.gz HOIZKQVXYRWTJT-UHFFFAOYSA-N 1 2 345.468 3.848 20 0 EHADLO CC1CCC([N@@H+](Cc2csnn2)Cc2ccc3c(c2)OCO3)CC1 ZINC000131480179 1123119562 /nfs/dbraw/zinc/11/95/62/1123119562.db2.gz HOIZKQVXYRWTJT-UHFFFAOYSA-N 1 2 345.468 3.848 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3c(cccc3F)[nH]2)n1 ZINC000919757236 1123143084 /nfs/dbraw/zinc/14/30/84/1123143084.db2.gz PZNLDTVVJRDCPS-UHFFFAOYSA-N 1 2 346.431 3.858 20 0 EHADLO Cc1ccccc1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556857896 1123155216 /nfs/dbraw/zinc/15/52/16/1123155216.db2.gz GZNVYQGMHWTKMD-WGSAOQKQSA-N 1 2 337.467 3.862 20 0 EHADLO C[N@H+](Cc1ccc(Cl)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000556895710 1123171713 /nfs/dbraw/zinc/17/17/13/1123171713.db2.gz MVWHUDTXPIHGPL-UHFFFAOYSA-N 1 2 345.729 3.895 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000556895710 1123171716 /nfs/dbraw/zinc/17/17/16/1123171716.db2.gz MVWHUDTXPIHGPL-UHFFFAOYSA-N 1 2 345.729 3.895 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466021711 1129106738 /nfs/dbraw/zinc/10/67/38/1129106738.db2.gz LGIBSJHMUFGLHX-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000132348026 1123220680 /nfs/dbraw/zinc/22/06/80/1123220680.db2.gz VRAOYKZSRWWLOU-GJZGRUSLSA-N 1 2 331.213 3.895 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347476612 1123240618 /nfs/dbraw/zinc/24/06/18/1123240618.db2.gz OSHCFKDJMKIGEJ-ZWKOTPCHSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347476612 1123240619 /nfs/dbraw/zinc/24/06/19/1123240619.db2.gz OSHCFKDJMKIGEJ-ZWKOTPCHSA-N 1 2 342.487 3.612 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000557022199 1123268515 /nfs/dbraw/zinc/26/85/15/1123268515.db2.gz GHQYIZIOIJBVEP-CQSZACIVSA-N 1 2 345.516 3.717 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000557022199 1123268517 /nfs/dbraw/zinc/26/85/17/1123268517.db2.gz GHQYIZIOIJBVEP-CQSZACIVSA-N 1 2 345.516 3.717 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000152631719 1123277788 /nfs/dbraw/zinc/27/77/88/1123277788.db2.gz NOESLKRGFNRBFM-UHFFFAOYSA-N 1 2 337.253 3.665 20 0 EHADLO C[N@H+](Cc1c(F)c(F)c(F)c(F)c1F)C1Cc2ccccc2C1 ZINC000920087556 1123288792 /nfs/dbraw/zinc/28/87/92/1123288792.db2.gz IHVYJIFNFBEFFU-UHFFFAOYSA-N 1 2 327.296 3.981 20 0 EHADLO C[N@@H+](Cc1c(F)c(F)c(F)c(F)c1F)C1Cc2ccccc2C1 ZINC000920087556 1123288794 /nfs/dbraw/zinc/28/87/94/1123288794.db2.gz IHVYJIFNFBEFFU-UHFFFAOYSA-N 1 2 327.296 3.981 20 0 EHADLO Cc1ccccc1SCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920767538 1123422073 /nfs/dbraw/zinc/42/20/73/1123422073.db2.gz GOKUWOSAZOQDPW-MRXNPFEDSA-N 1 2 331.485 3.515 20 0 EHADLO C[C@H]1CCC(C)(C)N1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920836425 1123429730 /nfs/dbraw/zinc/42/97/30/1123429730.db2.gz RMXQEKJRLPKTNG-RDJZCZTQSA-N 1 2 340.471 3.676 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC(C)(C)/C=C/Cl)c1ccccc1 ZINC000920841879 1123431116 /nfs/dbraw/zinc/43/11/16/1123431116.db2.gz GWYZOBWVTISHOT-BOLDSZDNSA-N 1 2 346.862 3.534 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Cc2cccc(F)c2)n1 ZINC000921030927 1123453706 /nfs/dbraw/zinc/45/37/06/1123453706.db2.gz UXAYDJUDGKVOBH-CYBMUJFWSA-N 1 2 349.475 3.941 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000921076288 1123461842 /nfs/dbraw/zinc/46/18/42/1123461842.db2.gz NJYITYUVJZXSMG-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(s1)CCCC2 ZINC000921149315 1123472577 /nfs/dbraw/zinc/47/25/77/1123472577.db2.gz QGTUOMXPQYWXAG-UHFFFAOYSA-N 1 2 337.448 3.743 20 0 EHADLO CC(C)C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccs1 ZINC000134020139 1123484968 /nfs/dbraw/zinc/48/49/68/1123484968.db2.gz YKSFXQWFOSBHPS-HNNXBMFYSA-N 1 2 334.489 3.764 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)s1 ZINC000076342788 1123488765 /nfs/dbraw/zinc/48/87/65/1123488765.db2.gz LVLCHQSXUYMSSI-UHFFFAOYSA-N 1 2 326.824 3.920 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)s1 ZINC000076342788 1123488766 /nfs/dbraw/zinc/48/87/66/1123488766.db2.gz LVLCHQSXUYMSSI-UHFFFAOYSA-N 1 2 326.824 3.920 20 0 EHADLO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1nccs1 ZINC000134331752 1123516812 /nfs/dbraw/zinc/51/68/12/1123516812.db2.gz NPIYYRIHRCHPNV-NSHDSACASA-N 1 2 327.222 3.822 20 0 EHADLO CC(C)(C)c1noc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134354061 1123518063 /nfs/dbraw/zinc/51/80/63/1123518063.db2.gz QIOXUWGBTSLNGT-UHFFFAOYSA-N 1 2 343.471 3.674 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134354061 1123518065 /nfs/dbraw/zinc/51/80/65/1123518065.db2.gz QIOXUWGBTSLNGT-UHFFFAOYSA-N 1 2 343.471 3.674 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000921366578 1123523852 /nfs/dbraw/zinc/52/38/52/1123523852.db2.gz PLMJMVXGZVLJBR-UHFFFAOYSA-N 1 2 332.492 3.740 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000078353143 1123622219 /nfs/dbraw/zinc/62/22/19/1123622219.db2.gz SUEWQOWTKWETQZ-INIZCTEOSA-N 1 2 328.481 3.586 20 0 EHADLO Cn1nccc1C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000078617787 1123642325 /nfs/dbraw/zinc/64/23/25/1123642325.db2.gz OSNZZORTIQMMEL-UHFFFAOYSA-N 1 2 327.378 3.901 20 0 EHADLO Cc1ccc(CCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000079255847 1123681453 /nfs/dbraw/zinc/68/14/53/1123681453.db2.gz USFXICZAPVEZBM-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000245517350 1123858461 /nfs/dbraw/zinc/85/84/61/1123858461.db2.gz RKPBEHMEPBCKFK-FHWLQOOXSA-N 1 2 343.515 3.749 20 0 EHADLO CCCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245650991 1123910946 /nfs/dbraw/zinc/91/09/46/1123910946.db2.gz DMRPNENMNVVQSO-SJORKVTESA-N 1 2 339.430 3.542 20 0 EHADLO CCCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245650991 1123910949 /nfs/dbraw/zinc/91/09/49/1123910949.db2.gz DMRPNENMNVVQSO-SJORKVTESA-N 1 2 339.430 3.542 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C ZINC000245668368 1123917551 /nfs/dbraw/zinc/91/75/51/1123917551.db2.gz JJFDOCBMGMOZEW-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C ZINC000245668368 1123917555 /nfs/dbraw/zinc/91/75/55/1123917555.db2.gz JJFDOCBMGMOZEW-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245852789 1123961081 /nfs/dbraw/zinc/96/10/81/1123961081.db2.gz BQQXYNOSXFSIDW-DAYGRLMNSA-N 1 2 345.874 3.825 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616329367 1123983677 /nfs/dbraw/zinc/98/36/77/1123983677.db2.gz WUAFAUBEZUYRKA-OALUTQOASA-N 1 2 325.456 3.538 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)c(C)c2)C12CCC2 ZINC000180426407 1124006470 /nfs/dbraw/zinc/00/64/70/1124006470.db2.gz OWBKPQIEEPWHNO-RBUKOAKNSA-N 1 2 330.472 3.591 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000246183852 1124041600 /nfs/dbraw/zinc/04/16/00/1124041600.db2.gz HKIKHDPZGMMWGY-GDBMZVCRSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000246183852 1124041604 /nfs/dbraw/zinc/04/16/04/1124041604.db2.gz HKIKHDPZGMMWGY-GDBMZVCRSA-N 1 2 342.439 3.872 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccn(C)n3)n2)c2ccccc2O1 ZINC000922156221 1129173432 /nfs/dbraw/zinc/17/34/32/1129173432.db2.gz IUEZVXSQDRWVRL-MLGOLLRUSA-N 1 2 340.452 3.546 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000247038819 1124581041 /nfs/dbraw/zinc/58/10/41/1124581041.db2.gz LRQHDYIAUUEWGH-PMACEKPBSA-N 1 2 327.399 3.895 20 0 EHADLO COc1cccc([C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000247038819 1124581044 /nfs/dbraw/zinc/58/10/44/1124581044.db2.gz LRQHDYIAUUEWGH-PMACEKPBSA-N 1 2 327.399 3.895 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247350495 1124607076 /nfs/dbraw/zinc/60/70/76/1124607076.db2.gz YBSQWWGIBFYSEP-KSZLIROESA-N 1 2 346.519 3.599 20 0 EHADLO CC(C)(C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)c1c[nH+]c[nH]1 ZINC000617608876 1124677836 /nfs/dbraw/zinc/67/78/36/1124677836.db2.gz KKPKWFKHLPHJRJ-UHFFFAOYSA-N 1 2 338.238 3.579 20 0 EHADLO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000248770104 1124698703 /nfs/dbraw/zinc/69/87/03/1124698703.db2.gz SLHHKHINXZCXSM-VBQJREDUSA-N 1 2 327.428 3.766 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC(C2CCC2)CC1 ZINC000617770904 1124771451 /nfs/dbraw/zinc/77/14/51/1124771451.db2.gz ZTUADOODJUDUFQ-IBGZPJMESA-N 1 2 337.467 3.970 20 0 EHADLO COc1cccc2cc(C[NH2+][C@@H](CO)c3c(F)cccc3F)oc21 ZINC000734847773 1131285218 /nfs/dbraw/zinc/28/52/18/1131285218.db2.gz UIYLKRFQKMWKCL-HNNXBMFYSA-N 1 2 333.334 3.543 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2c1C ZINC000735038709 1131302905 /nfs/dbraw/zinc/30/29/05/1131302905.db2.gz CSJLMKZIDKCWHJ-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000090481323 1124915469 /nfs/dbraw/zinc/91/54/69/1124915469.db2.gz VISRYDMJCADIKF-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO COc1ccc([C@H](CNCc2ccncc2F)[NH+]2CCCCC2)cc1 ZINC000449065204 1124934462 /nfs/dbraw/zinc/93/44/62/1124934462.db2.gz SKYOWSAUFJTEJM-FQEVSTJZSA-N 1 2 343.446 3.546 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@H]1C ZINC000251869392 1124951316 /nfs/dbraw/zinc/95/13/16/1124951316.db2.gz OXHKFTXJVRKWOD-IVMMDQJWSA-N 1 2 338.879 3.641 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@H]1C ZINC000251869392 1124951321 /nfs/dbraw/zinc/95/13/21/1124951321.db2.gz OXHKFTXJVRKWOD-IVMMDQJWSA-N 1 2 338.879 3.641 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000112218100 1125034685 /nfs/dbraw/zinc/03/46/85/1125034685.db2.gz HOAVHJUJJVLSKH-LJQANCHMSA-N 1 2 340.471 3.935 20 0 EHADLO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2occc2Br)C1 ZINC000735323135 1131331450 /nfs/dbraw/zinc/33/14/50/1131331450.db2.gz RNEKVDGPLHESRF-UKRRQHHQSA-N 1 2 349.272 3.967 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000069797354 1125062718 /nfs/dbraw/zinc/06/27/18/1125062718.db2.gz JKYCSDYRFCGRPS-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000069797354 1125062725 /nfs/dbraw/zinc/06/27/25/1125062725.db2.gz JKYCSDYRFCGRPS-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO Cc1noc(C)c1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618449316 1125085874 /nfs/dbraw/zinc/08/58/74/1125085874.db2.gz GCNDFHRTAOIZSS-NXEZZACHSA-N 1 2 330.272 3.854 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093277846 1125213894 /nfs/dbraw/zinc/21/38/94/1125213894.db2.gz NNGFNRBSNOSMDU-HNNXBMFYSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093277846 1125213899 /nfs/dbraw/zinc/21/38/99/1125213899.db2.gz NNGFNRBSNOSMDU-HNNXBMFYSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000615333795 1125349513 /nfs/dbraw/zinc/34/95/13/1125349513.db2.gz FVPYFDLPMVSCJN-ZIAGYGMSSA-N 1 2 332.394 3.629 20 0 EHADLO Cc1cccc(C2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCCC2)c1 ZINC000649678430 1125370009 /nfs/dbraw/zinc/37/00/09/1125370009.db2.gz DRBUGTFFFHXMPM-KRWDZBQOSA-N 1 2 325.456 3.771 20 0 EHADLO C[N@H+](CCSc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000735493218 1131353766 /nfs/dbraw/zinc/35/37/66/1131353766.db2.gz UOPGIGHIUOBOLD-UHFFFAOYSA-N 1 2 325.437 3.560 20 0 EHADLO C[N@@H+](CCSc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000735493218 1131353772 /nfs/dbraw/zinc/35/37/72/1131353772.db2.gz UOPGIGHIUOBOLD-UHFFFAOYSA-N 1 2 325.437 3.560 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000338806972 1129205300 /nfs/dbraw/zinc/20/53/00/1129205300.db2.gz BBGCZPSTRWPEAN-MRXNPFEDSA-N 1 2 329.831 3.894 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000682534695 1129220288 /nfs/dbraw/zinc/22/02/88/1129220288.db2.gz VOPMNBFZCPTAKV-WCIQWLHISA-N 1 2 349.478 3.630 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)o3)C2)c1 ZINC000682996913 1129257434 /nfs/dbraw/zinc/25/74/34/1129257434.db2.gz BABSNZCFMVUEFC-CQSZACIVSA-N 1 2 340.192 3.835 20 0 EHADLO CSc1c(F)cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1F ZINC000543136579 1129273926 /nfs/dbraw/zinc/27/39/26/1129273926.db2.gz INWVDGQYOPPOSV-UHFFFAOYSA-N 1 2 347.390 3.824 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265833056 1129306859 /nfs/dbraw/zinc/30/68/59/1129306859.db2.gz TXCBPMRJKSNLNL-GOSISDBHSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@H](CCCC(C)(C)O)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168709548 1129312129 /nfs/dbraw/zinc/31/21/29/1129312129.db2.gz WWQHWYTYKKQPEE-OAHLLOKOSA-N 1 2 329.444 3.797 20 0 EHADLO COCc1csc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000657425381 1129318071 /nfs/dbraw/zinc/31/80/71/1129318071.db2.gz JNFQMAHAGKOAES-GOSISDBHSA-N 1 2 345.443 3.646 20 0 EHADLO O=C(Cc1cccc(Cl)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000067910120 1129321121 /nfs/dbraw/zinc/32/11/21/1129321121.db2.gz BMKSSSCZCNRWCZ-UHFFFAOYSA-N 1 2 349.887 3.964 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265836095 1129322076 /nfs/dbraw/zinc/32/20/76/1129322076.db2.gz UKXAYWCXEXAHDY-MSOLQXFVSA-N 1 2 325.456 3.631 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000922245124 1129394443 /nfs/dbraw/zinc/39/44/43/1129394443.db2.gz SFOGOTFFGRTBNM-UHFFFAOYSA-N 1 2 346.818 3.579 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C(C)(C)C)C3)cn2c1 ZINC000543346005 1129424018 /nfs/dbraw/zinc/42/40/18/1129424018.db2.gz OXYMCHFBRKVYIH-OAHLLOKOSA-N 1 2 345.512 3.771 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000069221733 1129433373 /nfs/dbraw/zinc/43/33/73/1129433373.db2.gz XWFLFNMTZCWAPE-SFHVURJKSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000069221733 1129433378 /nfs/dbraw/zinc/43/33/78/1129433378.db2.gz XWFLFNMTZCWAPE-SFHVURJKSA-N 1 2 349.434 3.659 20 0 EHADLO c1coc([C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)c2ccccc2)c1 ZINC000347714310 1129475200 /nfs/dbraw/zinc/47/52/00/1129475200.db2.gz DJBODLUKEIUYRA-HXUWFJFHSA-N 1 2 330.391 3.944 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922473796 1129545315 /nfs/dbraw/zinc/54/53/15/1129545315.db2.gz YBBZUBXGNLBTHZ-LLVKDONJSA-N 1 2 338.329 3.605 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2cscc2C(F)(F)F)n1 ZINC000922487219 1129549417 /nfs/dbraw/zinc/54/94/17/1129549417.db2.gz QFGJQQXPYYWTBK-UHFFFAOYSA-N 1 2 335.420 3.575 20 0 EHADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186539353 1129565533 /nfs/dbraw/zinc/56/55/33/1129565533.db2.gz RCQJNYOIPVJHQA-PZJWPPBQSA-N 1 2 343.515 3.520 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168729027 1129586031 /nfs/dbraw/zinc/58/60/31/1129586031.db2.gz FZOFOUZHWIIJAR-QGZVFWFLSA-N 1 2 349.261 3.709 20 0 EHADLO Cc1cccc(Cl)c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000448786848 1129595715 /nfs/dbraw/zinc/59/57/15/1129595715.db2.gz PNQLIDCYPMQCET-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1nnc2n1CCCCC2 ZINC000631061656 1129623174 /nfs/dbraw/zinc/62/31/74/1129623174.db2.gz YZMKMBZFGYDSLM-ZDUSSCGKSA-N 1 2 335.402 3.578 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000625078826 1129723696 /nfs/dbraw/zinc/72/36/96/1129723696.db2.gz CFNMVDFVZGEXHR-ZDUSSCGKSA-N 1 2 334.407 3.686 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000625078826 1129723698 /nfs/dbraw/zinc/72/36/98/1129723698.db2.gz CFNMVDFVZGEXHR-ZDUSSCGKSA-N 1 2 334.407 3.686 20 0 EHADLO C[C@H](C(=O)OCc1cccc2cccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000735956352 1131393898 /nfs/dbraw/zinc/39/38/98/1131393898.db2.gz GILWGGXPRPXZLH-MRXNPFEDSA-N 1 2 346.430 3.725 20 0 EHADLO C[C@H](C(=O)OCc1cccc2cccnc21)[N@H+]1CCc2ccccc2C1 ZINC000735956352 1131393905 /nfs/dbraw/zinc/39/39/05/1131393905.db2.gz GILWGGXPRPXZLH-MRXNPFEDSA-N 1 2 346.430 3.725 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)n1 ZINC000922887147 1129732768 /nfs/dbraw/zinc/73/27/68/1129732768.db2.gz ZMHSIYSVZUWRJJ-NQIIRXRSSA-N 1 2 348.450 3.961 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001168737871 1129736141 /nfs/dbraw/zinc/73/61/41/1129736141.db2.gz HIEMNZUJWCWEJF-ZDUSSCGKSA-N 1 2 349.659 3.981 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@H+]1Cc3cc(Br)cnc3C1)C2 ZINC001168737871 1129736145 /nfs/dbraw/zinc/73/61/45/1129736145.db2.gz HIEMNZUJWCWEJF-ZDUSSCGKSA-N 1 2 349.659 3.981 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cn1 ZINC000361727161 1129753901 /nfs/dbraw/zinc/75/39/01/1129753901.db2.gz MHZMIIVFDGGHFO-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)cn1 ZINC000361727161 1129753905 /nfs/dbraw/zinc/75/39/05/1129753905.db2.gz MHZMIIVFDGGHFO-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H](C)c3cccc(Cl)c3)[nH+]c12 ZINC000673724512 1129810534 /nfs/dbraw/zinc/81/05/34/1129810534.db2.gz DROQSUIZEWPACX-CQSZACIVSA-N 1 2 341.842 3.759 20 0 EHADLO COc1ccc([C@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc2)cc1 ZINC000014260893 1129812307 /nfs/dbraw/zinc/81/23/07/1129812307.db2.gz VGPJECHIZDAQLK-GOSISDBHSA-N 1 2 345.406 3.573 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3c[nH]cc3-c3ccccc3)[nH+]c12 ZINC000673746986 1129826079 /nfs/dbraw/zinc/82/60/79/1129826079.db2.gz LYRNUJDWXWWXCK-UHFFFAOYSA-N 1 2 344.418 3.610 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(Cl)cc3F)[nH+]c12 ZINC000673757478 1129831796 /nfs/dbraw/zinc/83/17/96/1129831796.db2.gz AQKFSWNAPSQQCS-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1c[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347814499 1129865543 /nfs/dbraw/zinc/86/55/43/1129865543.db2.gz LJLCJIYBMKYYKW-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1c[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347814499 1129865547 /nfs/dbraw/zinc/86/55/47/1129865547.db2.gz LJLCJIYBMKYYKW-HNNXBMFYSA-N 1 2 349.837 3.510 20 0 EHADLO Clc1ccc(Cc2nc(CN3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000625441055 1129873227 /nfs/dbraw/zinc/87/32/27/1129873227.db2.gz WMMHKJYFRCFJJQ-UHFFFAOYSA-N 1 2 344.871 3.669 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168744182 1129875611 /nfs/dbraw/zinc/87/56/11/1129875611.db2.gz RNJBVCRVLWZEHW-KXBFYZLASA-N 1 2 342.870 3.925 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168745777 1129882229 /nfs/dbraw/zinc/88/22/29/1129882229.db2.gz ZYJKJDPFNVFWEA-KRWDZBQOSA-N 1 2 346.833 3.883 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000673856360 1129885515 /nfs/dbraw/zinc/88/55/15/1129885515.db2.gz IRZUWTZOUPBSOE-RHSMWYFYSA-N 1 2 332.469 3.814 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000673856360 1129885518 /nfs/dbraw/zinc/88/55/18/1129885518.db2.gz IRZUWTZOUPBSOE-RHSMWYFYSA-N 1 2 332.469 3.814 20 0 EHADLO COCCOCc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000347857690 1129933860 /nfs/dbraw/zinc/93/38/60/1129933860.db2.gz GJNGDJUBMBJTAG-UHFFFAOYSA-N 1 2 347.405 3.686 20 0 EHADLO COCCOCc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000347857690 1129933862 /nfs/dbraw/zinc/93/38/62/1129933862.db2.gz GJNGDJUBMBJTAG-UHFFFAOYSA-N 1 2 347.405 3.686 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H](C)C1CCCCC1 ZINC000673985199 1129939064 /nfs/dbraw/zinc/93/90/64/1129939064.db2.gz KPACAGWXLNQMRB-HLLBOEOZSA-N 1 2 332.492 3.904 20 0 EHADLO COC(=O)c1occc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282498686 1129951320 /nfs/dbraw/zinc/95/13/20/1129951320.db2.gz QQPRPNMYBOSSRB-LBPRGKRZSA-N 1 2 331.334 3.621 20 0 EHADLO COC(=O)c1occc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282498686 1129951323 /nfs/dbraw/zinc/95/13/23/1129951323.db2.gz QQPRPNMYBOSSRB-LBPRGKRZSA-N 1 2 331.334 3.621 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3cn4c(n3)CCCC4)s2)o1 ZINC000347873876 1129954606 /nfs/dbraw/zinc/95/46/06/1129954606.db2.gz ZMOLBVXXPFOAQR-UHFFFAOYSA-N 1 2 328.441 3.534 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009275 1129956773 /nfs/dbraw/zinc/95/67/73/1129956773.db2.gz GHSUJLOWJFUGKX-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000674009275 1129956776 /nfs/dbraw/zinc/95/67/76/1129956776.db2.gz GHSUJLOWJFUGKX-KXBFYZLASA-N 1 2 326.415 3.586 20 0 EHADLO Cc1cccc(C)c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282504917 1129963359 /nfs/dbraw/zinc/96/33/59/1129963359.db2.gz ZGEDCFPMUJRPNK-QGZVFWFLSA-N 1 2 337.467 3.856 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)NCCCNc1cccc[nH+]1 ZINC000625715630 1129990645 /nfs/dbraw/zinc/99/06/45/1129990645.db2.gz GTBYKEJZRKLJSL-UHFFFAOYSA-N 1 2 337.423 3.551 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCCc3cccc(Cl)c3)ccn12 ZINC001128642981 1130020469 /nfs/dbraw/zinc/02/04/69/1130020469.db2.gz NYLPOARCBPWKEO-UHFFFAOYSA-N 1 2 327.815 3.659 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000171266833 1130041164 /nfs/dbraw/zinc/04/11/64/1130041164.db2.gz UPRMZJLHYMFXRI-UHFFFAOYSA-N 1 2 346.406 3.632 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(C(F)F)c1 ZINC000171389559 1130051292 /nfs/dbraw/zinc/05/12/92/1130051292.db2.gz BWTWAXSBVQBTTN-UHFFFAOYSA-N 1 2 346.381 3.941 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674390356 1130082915 /nfs/dbraw/zinc/08/29/15/1130082915.db2.gz UZOHTWGDGMLQMN-UTKZUKDTSA-N 1 2 349.478 3.590 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674399435 1130085960 /nfs/dbraw/zinc/08/59/60/1130085960.db2.gz BLGPQEOSDXSAAX-GOSISDBHSA-N 1 2 338.455 3.840 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674399435 1130085964 /nfs/dbraw/zinc/08/59/64/1130085964.db2.gz BLGPQEOSDXSAAX-GOSISDBHSA-N 1 2 338.455 3.840 20 0 EHADLO COC[C@H]1CCC[N@@H+]1Cc1csc(COc2ccc(C)cc2)n1 ZINC000674466720 1130098355 /nfs/dbraw/zinc/09/83/55/1130098355.db2.gz NDWUOSOKYKHSNM-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO COC[C@H]1CCC[N@H+]1Cc1csc(COc2ccc(C)cc2)n1 ZINC000674466720 1130098361 /nfs/dbraw/zinc/09/83/61/1130098361.db2.gz NDWUOSOKYKHSNM-MRXNPFEDSA-N 1 2 332.469 3.641 20 0 EHADLO O=C(CCC1CCOCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000172930685 1130167772 /nfs/dbraw/zinc/16/77/72/1130167772.db2.gz FYCYQPADOFYCNA-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000674668408 1130168602 /nfs/dbraw/zinc/16/86/02/1130168602.db2.gz XNULCFBFPJOPCX-KRWDZBQOSA-N 1 2 331.485 3.748 20 0 EHADLO Fc1cccc([C@H]2CCC[N@@H+]2Cn2ccc(-c3nccs3)n2)c1 ZINC000766069255 1130194737 /nfs/dbraw/zinc/19/47/37/1130194737.db2.gz WVYXFBMEGSBPLU-MRXNPFEDSA-N 1 2 328.416 3.940 20 0 EHADLO Fc1cccc([C@H]2CCC[N@H+]2Cn2ccc(-c3nccs3)n2)c1 ZINC000766069255 1130194740 /nfs/dbraw/zinc/19/47/40/1130194740.db2.gz WVYXFBMEGSBPLU-MRXNPFEDSA-N 1 2 328.416 3.940 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000674864397 1130211647 /nfs/dbraw/zinc/21/16/47/1130211647.db2.gz LCXGNGOYRLJAAT-UHFFFAOYSA-N 1 2 342.283 3.797 20 0 EHADLO CCOc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000674864397 1130211651 /nfs/dbraw/zinc/21/16/51/1130211651.db2.gz LCXGNGOYRLJAAT-UHFFFAOYSA-N 1 2 342.283 3.797 20 0 EHADLO CCC1(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CCCC1 ZINC000674913132 1130223392 /nfs/dbraw/zinc/22/33/92/1130223392.db2.gz ZLSNPVGHVYKCOO-UHFFFAOYSA-N 1 2 344.499 3.618 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000675023465 1130241911 /nfs/dbraw/zinc/24/19/11/1130241911.db2.gz ITNJEBHNGPDSHU-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO Brc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)s1 ZINC000675023544 1130242060 /nfs/dbraw/zinc/24/20/60/1130242060.db2.gz LKHRZMQKUDKUAN-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO Cc1cc(C)cc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1 ZINC000766089198 1130244463 /nfs/dbraw/zinc/24/44/63/1130244463.db2.gz CKWNZEJWYXCWHM-ZDUSSCGKSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1cc(C)cc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1 ZINC000766089198 1130244468 /nfs/dbraw/zinc/24/44/68/1130244468.db2.gz CKWNZEJWYXCWHM-ZDUSSCGKSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000675094316 1130249475 /nfs/dbraw/zinc/24/94/75/1130249475.db2.gz ZTIHTMKSXQFYOC-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000675103033 1130253633 /nfs/dbraw/zinc/25/36/33/1130253633.db2.gz GJHKKIHFQTUOFK-HHXXYDBFSA-N 1 2 338.455 3.735 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000675270742 1130297248 /nfs/dbraw/zinc/29/72/48/1130297248.db2.gz PEDSXNURSWHHFX-BPQIPLTHSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675257547 1130298899 /nfs/dbraw/zinc/29/88/99/1130298899.db2.gz NCJWVUWDDOJDOC-BLLLJJGKSA-N 1 2 341.386 3.800 20 0 EHADLO CC(C)O[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1(C)C ZINC000766114953 1130330012 /nfs/dbraw/zinc/33/00/12/1130330012.db2.gz ZDDBMPNGRPDMPK-ZIAGYGMSSA-N 1 2 331.464 3.585 20 0 EHADLO Cc1cccn2c(C[NH2+][C@H](COCC(C)C)c3ccco3)cnc12 ZINC000174328903 1130351229 /nfs/dbraw/zinc/35/12/29/1130351229.db2.gz VVHCTCZFJILDIE-QGZVFWFLSA-N 1 2 327.428 3.739 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2ccc(F)cc2s1 ZINC000675573536 1130427830 /nfs/dbraw/zinc/42/78/30/1130427830.db2.gz QJVCZQJNHWJHHX-UHFFFAOYSA-N 1 2 325.368 3.618 20 0 EHADLO COC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1 ZINC001129033968 1130436586 /nfs/dbraw/zinc/43/65/86/1130436586.db2.gz BLCDJSFHBRYWMP-INIZCTEOSA-N 1 2 346.858 3.820 20 0 EHADLO c1cnn(C[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)c2ccccc2)c1 ZINC000675647290 1130438784 /nfs/dbraw/zinc/43/87/84/1130438784.db2.gz PJDZOKKXXIRLSI-HXUWFJFHSA-N 1 2 335.455 3.726 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000675902418 1130505754 /nfs/dbraw/zinc/50/57/54/1130505754.db2.gz DWTNANLQRBONFD-FQEVSTJZSA-N 1 2 346.434 3.612 20 0 EHADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000676042186 1130522659 /nfs/dbraw/zinc/52/26/59/1130522659.db2.gz TWCKYRHAGNVCLN-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000676042186 1130522660 /nfs/dbraw/zinc/52/26/60/1130522660.db2.gz TWCKYRHAGNVCLN-UHFFFAOYSA-N 1 2 333.259 3.679 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000535275638 1130588289 /nfs/dbraw/zinc/58/82/89/1130588289.db2.gz GEMMONGEWDNFHV-KRWDZBQOSA-N 1 2 349.459 3.727 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000535275638 1130588291 /nfs/dbraw/zinc/58/82/91/1130588291.db2.gz GEMMONGEWDNFHV-KRWDZBQOSA-N 1 2 349.459 3.727 20 0 EHADLO CCC[N@H+](CC)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000727820919 1130600508 /nfs/dbraw/zinc/60/05/08/1130600508.db2.gz SEVYQHWEVQMSDJ-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO CCC[N@@H+](CC)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000727820919 1130600512 /nfs/dbraw/zinc/60/05/12/1130600512.db2.gz SEVYQHWEVQMSDJ-UHFFFAOYSA-N 1 2 339.361 3.619 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730455018 1130712623 /nfs/dbraw/zinc/71/26/23/1130712623.db2.gz QWZJIQDBDHWSLQ-GFCCVEGCSA-N 1 2 346.789 3.834 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730455018 1130712627 /nfs/dbraw/zinc/71/26/27/1130712627.db2.gz QWZJIQDBDHWSLQ-GFCCVEGCSA-N 1 2 346.789 3.834 20 0 EHADLO C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000731981339 1130872855 /nfs/dbraw/zinc/87/28/55/1130872855.db2.gz JZQQAJHYQOMFKA-PTNGSMBKSA-N 1 2 335.382 3.731 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000732055414 1130882508 /nfs/dbraw/zinc/88/25/08/1130882508.db2.gz LLQUFFUYIUSWQP-WJDWOHSUSA-N 1 2 349.409 3.790 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000732184596 1130894573 /nfs/dbraw/zinc/89/45/73/1130894573.db2.gz ZPNBIKWCVOVDDS-CQSZACIVSA-N 1 2 337.537 3.675 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000732184596 1130894578 /nfs/dbraw/zinc/89/45/78/1130894578.db2.gz ZPNBIKWCVOVDDS-CQSZACIVSA-N 1 2 337.537 3.675 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000732212397 1130897532 /nfs/dbraw/zinc/89/75/32/1130897532.db2.gz YQDZCXCMBQANSL-GGDAVEFXSA-N 1 2 343.492 3.645 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC[S@](=O)c1ccccc1 ZINC000732212397 1130897537 /nfs/dbraw/zinc/89/75/37/1130897537.db2.gz YQDZCXCMBQANSL-GGDAVEFXSA-N 1 2 343.492 3.645 20 0 EHADLO CCCCCC[N@H+](C)CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000732270636 1130907680 /nfs/dbraw/zinc/90/76/80/1130907680.db2.gz RJDXSODWROBUCQ-UHFFFAOYSA-N 1 2 349.866 3.576 20 0 EHADLO CCCCCC[N@@H+](C)CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000732270636 1130907682 /nfs/dbraw/zinc/90/76/82/1130907682.db2.gz RJDXSODWROBUCQ-UHFFFAOYSA-N 1 2 349.866 3.576 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnc(C4CC4)n3)c2)[nH+]c1C ZINC000732656462 1130944181 /nfs/dbraw/zinc/94/41/81/1130944181.db2.gz DRHSPQWLUKVIFT-UHFFFAOYSA-N 1 2 333.395 3.613 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732736807 1130951349 /nfs/dbraw/zinc/95/13/49/1130951349.db2.gz RYPSWOSYKKPUNU-IBGZPJMESA-N 1 2 333.435 3.757 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199236 1131004229 /nfs/dbraw/zinc/00/42/29/1131004229.db2.gz OKWNHMMTFYLNDG-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199236 1131004232 /nfs/dbraw/zinc/00/42/32/1131004232.db2.gz OKWNHMMTFYLNDG-ZDUSSCGKSA-N 1 2 340.414 3.969 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2nc(N(C)C)sc2=S)cc1 ZINC000733300162 1131018651 /nfs/dbraw/zinc/01/86/51/1131018651.db2.gz KAAMRTSWFIRDGR-OAHLLOKOSA-N 1 2 348.541 3.713 20 0 EHADLO Cc1ccc(C[C@H]2CCC[N@@H+]2Cn2nc(N(C)C)sc2=S)cc1 ZINC000733300162 1131018656 /nfs/dbraw/zinc/01/86/56/1131018656.db2.gz KAAMRTSWFIRDGR-OAHLLOKOSA-N 1 2 348.541 3.713 20 0 EHADLO Fc1cc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc(F)c1F ZINC000733331146 1131027278 /nfs/dbraw/zinc/02/72/78/1131027278.db2.gz DCUXJUKONWECIW-UHFFFAOYSA-N 1 2 335.354 3.912 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282554709 1131090843 /nfs/dbraw/zinc/09/08/43/1131090843.db2.gz SDEFFKPOJKSOOR-LBPRGKRZSA-N 1 2 348.472 3.868 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282554709 1131090848 /nfs/dbraw/zinc/09/08/48/1131090848.db2.gz SDEFFKPOJKSOOR-LBPRGKRZSA-N 1 2 348.472 3.868 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)[nH]1 ZINC000347993662 1131113315 /nfs/dbraw/zinc/11/33/15/1131113315.db2.gz IRYKYIKSCULILI-OAHLLOKOSA-N 1 2 332.469 3.557 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)[nH]1 ZINC000347993662 1131113317 /nfs/dbraw/zinc/11/33/17/1131113317.db2.gz IRYKYIKSCULILI-OAHLLOKOSA-N 1 2 332.469 3.557 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)c(C)cc2F)c1C ZINC000177326434 1131162501 /nfs/dbraw/zinc/16/25/01/1131162501.db2.gz HKRUFRKMVZEIEA-UHFFFAOYSA-N 1 2 334.366 3.566 20 0 EHADLO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CCCC3(CC3)CC2)s1 ZINC000626114937 1131166013 /nfs/dbraw/zinc/16/60/13/1131166013.db2.gz ZLFFEDWFLYYAJY-UHFFFAOYSA-N 1 2 342.468 3.557 20 0 EHADLO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CCCC3(CC3)CC2)s1 ZINC000626114937 1131166015 /nfs/dbraw/zinc/16/60/15/1131166015.db2.gz ZLFFEDWFLYYAJY-UHFFFAOYSA-N 1 2 342.468 3.557 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)CC(C)(C)C)nc1-c1ccncc1 ZINC000738097372 1131460853 /nfs/dbraw/zinc/46/08/53/1131460853.db2.gz DBNVHFUZFHLCEG-UHFFFAOYSA-N 1 2 333.505 3.821 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)CC(C)(C)C)nc1-c1ccncc1 ZINC000738097372 1131460856 /nfs/dbraw/zinc/46/08/56/1131460856.db2.gz DBNVHFUZFHLCEG-UHFFFAOYSA-N 1 2 333.505 3.821 20 0 EHADLO Cc1ccc(-n2nnn(C[N@H+]3CCCCC[C@H]3C)c2=S)cc1C ZINC000738227460 1131463873 /nfs/dbraw/zinc/46/38/73/1131463873.db2.gz VCDRKDIKBHQLRK-OAHLLOKOSA-N 1 2 331.489 3.637 20 0 EHADLO Cc1ccc(-n2nnn(C[N@@H+]3CCCCC[C@H]3C)c2=S)cc1C ZINC000738227460 1131463874 /nfs/dbraw/zinc/46/38/74/1131463874.db2.gz VCDRKDIKBHQLRK-OAHLLOKOSA-N 1 2 331.489 3.637 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000740853992 1131548473 /nfs/dbraw/zinc/54/84/73/1131548473.db2.gz JZBNHKUVXGYLAV-PXNSSMCTSA-N 1 2 346.446 3.731 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000740853992 1131548477 /nfs/dbraw/zinc/54/84/77/1131548477.db2.gz JZBNHKUVXGYLAV-PXNSSMCTSA-N 1 2 346.446 3.731 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861166 1131553476 /nfs/dbraw/zinc/55/34/76/1131553476.db2.gz VACBZZYAQJHWPB-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861166 1131553481 /nfs/dbraw/zinc/55/34/81/1131553481.db2.gz VACBZZYAQJHWPB-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000740986339 1131564082 /nfs/dbraw/zinc/56/40/82/1131564082.db2.gz FUPBCAJFSVUWRK-UWVAXJGDSA-N 1 2 345.483 3.572 20 0 EHADLO C[C@@H](C(=O)OCCO[C@H]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000740986339 1131564085 /nfs/dbraw/zinc/56/40/85/1131564085.db2.gz FUPBCAJFSVUWRK-UWVAXJGDSA-N 1 2 345.483 3.572 20 0 EHADLO CCc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000741026913 1131571367 /nfs/dbraw/zinc/57/13/67/1131571367.db2.gz SKZHXBAQMRUKMC-HZPDHXFCSA-N 1 2 331.456 3.628 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCCCCC1 ZINC000741550768 1131621198 /nfs/dbraw/zinc/62/11/98/1131621198.db2.gz XMPACCIOUXAVHS-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO CCCCCC[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741889543 1131660355 /nfs/dbraw/zinc/66/03/55/1131660355.db2.gz QHZXZIWQWXHNSF-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCCC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741889543 1131660358 /nfs/dbraw/zinc/66/03/58/1131660358.db2.gz QHZXZIWQWXHNSF-AZUAARDMSA-N 1 2 346.515 3.610 20 0 EHADLO CCCc1ncc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)s1 ZINC000742051797 1131683517 /nfs/dbraw/zinc/68/35/17/1131683517.db2.gz DMMPJANSNKQSPC-UHFFFAOYSA-N 1 2 338.502 3.646 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000742237824 1131700174 /nfs/dbraw/zinc/70/01/74/1131700174.db2.gz QBBFEAFUUUJAIM-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000742237824 1131700176 /nfs/dbraw/zinc/70/01/76/1131700176.db2.gz QBBFEAFUUUJAIM-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO CCCCc1noc([C@@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000742358021 1131708364 /nfs/dbraw/zinc/70/83/64/1131708364.db2.gz XGOAXSRWVMNVKS-LLVKDONJSA-N 1 2 336.823 3.868 20 0 EHADLO CCCCCC[C@@H](CCC)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001172387073 1131727971 /nfs/dbraw/zinc/72/79/71/1131727971.db2.gz PEZKNIWCFKSHRT-CYBMUJFWSA-N 1 2 343.313 3.995 20 0 EHADLO CCCCCC[C@@H](CCC)[N@H+]1CCn2c(Br)nnc2C1 ZINC001172387073 1131727976 /nfs/dbraw/zinc/72/79/76/1131727976.db2.gz PEZKNIWCFKSHRT-CYBMUJFWSA-N 1 2 343.313 3.995 20 0 EHADLO CCCCCC[C@H](CCC)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001172387074 1131728112 /nfs/dbraw/zinc/72/81/12/1131728112.db2.gz PEZKNIWCFKSHRT-ZDUSSCGKSA-N 1 2 343.313 3.995 20 0 EHADLO CCCCCC[C@H](CCC)[N@H+]1CCn2c(Br)nnc2C1 ZINC001172387074 1131728115 /nfs/dbraw/zinc/72/81/15/1131728115.db2.gz PEZKNIWCFKSHRT-ZDUSSCGKSA-N 1 2 343.313 3.995 20 0 EHADLO CC(C)OCC[C@@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001172449491 1131747322 /nfs/dbraw/zinc/74/73/22/1131747322.db2.gz UONACNOOEMSNIB-CYBMUJFWSA-N 1 2 346.302 3.714 20 0 EHADLO CC[N@H+](Cn1[nH]c(-c2ccc(OC)cc2)nc1=S)[C@H](C)C(C)C ZINC000742551096 1131750160 /nfs/dbraw/zinc/75/01/60/1131750160.db2.gz YTOCJORIMHVBCI-CYBMUJFWSA-N 1 2 334.489 3.940 20 0 EHADLO CC[N@@H+](Cn1[nH]c(-c2ccc(OC)cc2)nc1=S)[C@H](C)C(C)C ZINC000742551096 1131750165 /nfs/dbraw/zinc/75/01/65/1131750165.db2.gz YTOCJORIMHVBCI-CYBMUJFWSA-N 1 2 334.489 3.940 20 0 EHADLO Cc1ccc([C@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000742573587 1131751767 /nfs/dbraw/zinc/75/17/67/1131751767.db2.gz ODMXAQQOCFOCGQ-ZDUSSCGKSA-N 1 2 333.457 3.773 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567139 1131775923 /nfs/dbraw/zinc/77/59/23/1131775923.db2.gz ICRCLUGICILIIF-BONVTDFDSA-N 1 2 331.790 3.577 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567139 1131775929 /nfs/dbraw/zinc/77/59/29/1131775929.db2.gz ICRCLUGICILIIF-BONVTDFDSA-N 1 2 331.790 3.577 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001172722675 1131821611 /nfs/dbraw/zinc/82/16/11/1131821611.db2.gz ZKZZLDGHCNZNMY-UYAOXDASSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001172722675 1131821618 /nfs/dbraw/zinc/82/16/18/1131821618.db2.gz ZKZZLDGHCNZNMY-UYAOXDASSA-N 1 2 343.854 3.587 20 0 EHADLO CCCC[C@](CC)([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OCC ZINC001172757733 1131835826 /nfs/dbraw/zinc/83/58/26/1131835826.db2.gz BLDQHNIERMIXOC-YJBOKZPZSA-N 1 2 329.481 3.598 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC2(CCCC2)C1 ZINC000743075983 1131846106 /nfs/dbraw/zinc/84/61/06/1131846106.db2.gz YCMDCKKGICPJQX-UHFFFAOYSA-N 1 2 348.516 3.927 20 0 EHADLO Cn1ccc2ccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000743206274 1131868976 /nfs/dbraw/zinc/86/89/76/1131868976.db2.gz ZMYRSBLTJONERU-KRWDZBQOSA-N 1 2 339.443 3.611 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)CSc1ccc(Cl)cc1)C(C)C ZINC001172874783 1131893280 /nfs/dbraw/zinc/89/32/80/1131893280.db2.gz INEYAATUJKNBOG-WFASDCNBSA-N 1 2 329.893 3.998 20 0 EHADLO C[N@H+](CCc1ccccc1F)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743364838 1131902015 /nfs/dbraw/zinc/90/20/15/1131902015.db2.gz PRLWCQMWJJVVCY-GOSISDBHSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@@H+](CCc1ccccc1F)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743364838 1131902023 /nfs/dbraw/zinc/90/20/23/1131902023.db2.gz PRLWCQMWJJVVCY-GOSISDBHSA-N 1 2 346.833 3.885 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000743361650 1131902460 /nfs/dbraw/zinc/90/24/60/1131902460.db2.gz RUUOGTZOPXONRS-CYBMUJFWSA-N 1 2 327.375 3.985 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000743361650 1131902463 /nfs/dbraw/zinc/90/24/63/1131902463.db2.gz RUUOGTZOPXONRS-CYBMUJFWSA-N 1 2 327.375 3.985 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@]3(CC=CCC3)C1)c2=O ZINC000743366073 1131903437 /nfs/dbraw/zinc/90/34/37/1131903437.db2.gz NJBKXWBPGVZHKF-LJQANCHMSA-N 1 2 343.496 3.855 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@]3(CC=CCC3)C1)c2=O ZINC000743366073 1131903441 /nfs/dbraw/zinc/90/34/41/1131903441.db2.gz NJBKXWBPGVZHKF-LJQANCHMSA-N 1 2 343.496 3.855 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](C)Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000743348731 1131905108 /nfs/dbraw/zinc/90/51/08/1131905108.db2.gz GJPTZPUEGMUATD-KDOFPFPSSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000743348731 1131905114 /nfs/dbraw/zinc/90/51/14/1131905114.db2.gz GJPTZPUEGMUATD-KDOFPFPSSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743392578 1131909957 /nfs/dbraw/zinc/90/99/57/1131909957.db2.gz QIKYZLAYIMBSJR-NEKRLJHISA-N 1 2 340.467 3.592 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743392578 1131909964 /nfs/dbraw/zinc/90/99/64/1131909964.db2.gz QIKYZLAYIMBSJR-NEKRLJHISA-N 1 2 340.467 3.592 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(C3CCCC3)CC2)n1 ZINC000743377893 1131915092 /nfs/dbraw/zinc/91/50/92/1131915092.db2.gz RESQCJYDVZPZHO-UHFFFAOYSA-N 1 2 345.516 3.737 20 0 EHADLO CCOC(=O)c1sc(C)nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695698 1131928726 /nfs/dbraw/zinc/92/87/26/1131928726.db2.gz PRVGTTFQYOKDQO-UHFFFAOYSA-N 1 2 342.424 3.617 20 0 EHADLO CC(=O)N1CCc2c1cccc2Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698931 1131938716 /nfs/dbraw/zinc/93/87/16/1131938716.db2.gz FBELYDQTHYBSMV-UHFFFAOYSA-N 1 2 332.407 3.584 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000743564817 1131942250 /nfs/dbraw/zinc/94/22/50/1131942250.db2.gz JQUFSTUCNJHMIA-FGTMMUONSA-N 1 2 338.455 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCCCCC2CCCC2)c1C ZINC000743573705 1131945494 /nfs/dbraw/zinc/94/54/94/1131945494.db2.gz HADGAKMRKOYREG-UHFFFAOYSA-N 1 2 333.476 3.867 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC001173085220 1131962281 /nfs/dbraw/zinc/96/22/81/1131962281.db2.gz HWWKYEUKVDUDNW-LBPRGKRZSA-N 1 2 345.361 3.592 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC[C@@H](CC(C)C)C3)c(=O)c2c(C)c1C ZINC000744437879 1132099876 /nfs/dbraw/zinc/09/98/76/1132099876.db2.gz ZSOYLFOEEHOUAD-HNNXBMFYSA-N 1 2 333.501 3.709 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC[C@@H](CC(C)C)C3)c(=O)c2c(C)c1C ZINC000744437879 1132099881 /nfs/dbraw/zinc/09/98/81/1132099881.db2.gz ZSOYLFOEEHOUAD-HNNXBMFYSA-N 1 2 333.501 3.709 20 0 EHADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(C4CC4)n3)ccc2NC1=O ZINC000744450189 1132102623 /nfs/dbraw/zinc/10/26/23/1132102623.db2.gz WDHUMPLUXNPHHL-ZBEGNZNMSA-N 1 2 341.411 3.512 20 0 EHADLO CC(=O)Nc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001173831642 1132162379 /nfs/dbraw/zinc/16/23/79/1132162379.db2.gz WABTUBFFOZFICN-UHFFFAOYSA-N 1 2 345.200 3.799 20 0 EHADLO COc1cccc(OC)c1Nc1cc(Br)cn2cc[nH+]c12 ZINC001173921060 1132175622 /nfs/dbraw/zinc/17/56/22/1132175622.db2.gz CFPJWZJHIUKYMT-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000745088944 1132191597 /nfs/dbraw/zinc/19/15/97/1132191597.db2.gz YZYYZKVKFDFEEP-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000745088944 1132191601 /nfs/dbraw/zinc/19/16/01/1132191601.db2.gz YZYYZKVKFDFEEP-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000745099782 1132193810 /nfs/dbraw/zinc/19/38/10/1132193810.db2.gz ZRRMARVYYMUXRI-SFHVURJKSA-N 1 2 331.387 3.571 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000745099782 1132193814 /nfs/dbraw/zinc/19/38/14/1132193814.db2.gz ZRRMARVYYMUXRI-SFHVURJKSA-N 1 2 331.387 3.571 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccc(C)cc1)c1ccccc1 ZINC000745100609 1132194224 /nfs/dbraw/zinc/19/42/24/1132194224.db2.gz MEQMUYHDMHQHDA-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccc(C)cc1)c1ccccc1 ZINC000745100609 1132194228 /nfs/dbraw/zinc/19/42/28/1132194228.db2.gz MEQMUYHDMHQHDA-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Br ZINC000745081463 1132195447 /nfs/dbraw/zinc/19/54/47/1132195447.db2.gz ZKEHZBPENWYYQM-SMDDNHRTSA-N 1 2 326.234 3.538 20 0 EHADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1Br ZINC000745081463 1132195451 /nfs/dbraw/zinc/19/54/51/1132195451.db2.gz ZKEHZBPENWYYQM-SMDDNHRTSA-N 1 2 326.234 3.538 20 0 EHADLO COCc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001174093001 1132225578 /nfs/dbraw/zinc/22/55/78/1132225578.db2.gz XFUIACRSERKPLL-GASCZTMLSA-N 1 2 327.428 3.585 20 0 EHADLO COCc1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001174093226 1132225899 /nfs/dbraw/zinc/22/58/99/1132225899.db2.gz ISDBRZFVUDIJPW-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000745782903 1132315729 /nfs/dbraw/zinc/31/57/29/1132315729.db2.gz IKSJKUGJXHDZQG-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000745783236 1132315777 /nfs/dbraw/zinc/31/57/77/1132315777.db2.gz LSILOMIJVWHWBB-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO Oc1cc(Cl)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432416 1132352725 /nfs/dbraw/zinc/35/27/25/1132352725.db2.gz RLVMUDHVEADSFJ-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO Nc1cc(Br)cc2c1ccn2-c1cc[nH+]c2[nH]ccc21 ZINC001174411425 1132365822 /nfs/dbraw/zinc/36/58/22/1132365822.db2.gz YRERVXUGMSDVPW-UHFFFAOYSA-N 1 2 327.185 3.803 20 0 EHADLO Cn1nc(Br)c2cc(Nc3cc[nH+]c4[nH]ccc43)ccc21 ZINC001174412004 1132366460 /nfs/dbraw/zinc/36/64/60/1132366460.db2.gz LHCQVVBIUHNETJ-UHFFFAOYSA-N 1 2 342.200 3.907 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001174518874 1132398479 /nfs/dbraw/zinc/39/84/79/1132398479.db2.gz UZCHHJUUYKSGPB-UHFFFAOYSA-N 1 2 329.791 3.873 20 0 EHADLO COC(=O)c1cc(Cl)ncc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522332 1132399329 /nfs/dbraw/zinc/39/93/29/1132399329.db2.gz HJCUXXSMEYFWAW-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO COC(=O)c1ccc(OC)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522484 1132399686 /nfs/dbraw/zinc/39/96/86/1132399686.db2.gz NXMUOROTHWZWNH-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Cc1ccc(S(C)(=O)=O)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525225 1132401599 /nfs/dbraw/zinc/40/15/99/1132401599.db2.gz ZZJVHGXFZTWCQQ-UHFFFAOYSA-N 1 2 345.468 3.527 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccc4[nH+]c(C)cn43)c(C)n2)cc1 ZINC001174576622 1132403392 /nfs/dbraw/zinc/40/33/92/1132403392.db2.gz GCYFNUVECXJBRZ-UHFFFAOYSA-N 1 2 347.422 3.948 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000192469783 1132471973 /nfs/dbraw/zinc/47/19/73/1132471973.db2.gz QRBNEQSCYPQESV-UHFFFAOYSA-N 1 2 342.414 3.787 20 0 EHADLO CCC1CCC([N@H+](Cc2noc(C3CCOCC3)n2)C2CC2)CC1 ZINC000195514880 1132497409 /nfs/dbraw/zinc/49/74/09/1132497409.db2.gz AMDWPLOVHFSTDD-UHFFFAOYSA-N 1 2 333.476 3.897 20 0 EHADLO CCC1CCC([N@@H+](Cc2noc(C3CCOCC3)n2)C2CC2)CC1 ZINC000195514880 1132497419 /nfs/dbraw/zinc/49/74/19/1132497419.db2.gz AMDWPLOVHFSTDD-UHFFFAOYSA-N 1 2 333.476 3.897 20 0 EHADLO c1cnc2cccc(Nc3cccc(OCC[NH+]4CCOCC4)c3)c2c1 ZINC001174908083 1132501175 /nfs/dbraw/zinc/50/11/75/1132501175.db2.gz VEWICUVKSRCCOM-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO CN(C)c1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001174962672 1132519194 /nfs/dbraw/zinc/51/91/94/1132519194.db2.gz NQXFAWDKRKYPCX-UHFFFAOYSA-N 1 2 331.217 3.906 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(F)cc1 ZINC000766403451 1132530195 /nfs/dbraw/zinc/53/01/95/1132530195.db2.gz KHEVXJLKCKPBTC-LBPRGKRZSA-N 1 2 327.407 3.936 20 0 EHADLO Cc1ccc(OC[C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766404725 1132531038 /nfs/dbraw/zinc/53/10/38/1132531038.db2.gz UEKMWOCSXOOMJH-CQSZACIVSA-N 1 2 339.443 3.769 20 0 EHADLO O=C1CCCCc2c(Nc3ccc(N4CCOCC4)[nH+]c3)cccc21 ZINC001174979267 1132532941 /nfs/dbraw/zinc/53/29/41/1132532941.db2.gz JESXXZXLHYOPIB-UHFFFAOYSA-N 1 2 337.423 3.571 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC001174983790 1132535484 /nfs/dbraw/zinc/53/54/84/1132535484.db2.gz LAIHLZIOOIFETD-WOJBJXKFSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC001174983790 1132535490 /nfs/dbraw/zinc/53/54/90/1132535490.db2.gz LAIHLZIOOIFETD-WOJBJXKFSA-N 1 2 349.478 3.969 20 0 EHADLO CC(C)COc1cc(F)cc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001175058532 1132537381 /nfs/dbraw/zinc/53/73/81/1132537381.db2.gz FQVQSGFKQNFLCI-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000746482936 1132562010 /nfs/dbraw/zinc/56/20/10/1132562010.db2.gz UPTYXCFXWHQGJW-UHFFFAOYSA-N 1 2 343.487 3.962 20 0 EHADLO Oc1cc(F)c(Nc2cc(Br)c3[nH+]ccn3c2)c(F)c1 ZINC001175097600 1132566814 /nfs/dbraw/zinc/56/68/14/1132566814.db2.gz DOEXTFICHSIUHD-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO CC(C)Oc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC001168895144 1132590129 /nfs/dbraw/zinc/59/01/29/1132590129.db2.gz BXIAWECYCHUQJG-GOSISDBHSA-N 1 2 339.439 3.586 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)cs1 ZINC000766527176 1132591598 /nfs/dbraw/zinc/59/15/98/1132591598.db2.gz GEYBZNXVDGBDFE-KGLIPLIRSA-N 1 2 342.468 3.887 20 0 EHADLO CN(C)c1ccc(Nc2ccc3c(c2)c(Br)nn3C)c[nH+]1 ZINC001175343799 1132627222 /nfs/dbraw/zinc/62/72/22/1132627222.db2.gz PGAMKBRZYFPEBS-UHFFFAOYSA-N 1 2 346.232 3.540 20 0 EHADLO COC(=O)c1cc2cccc(Nc3ccc(N(C)C)[nH+]c3)c2s1 ZINC001175346630 1132628518 /nfs/dbraw/zinc/62/85/18/1132628518.db2.gz VDEXEVSWDCMUGK-UHFFFAOYSA-N 1 2 327.409 3.893 20 0 EHADLO CSc1nc2ccnc(NCCc3cn4ccccc4[nH+]3)c2s1 ZINC001169000152 1132628737 /nfs/dbraw/zinc/62/87/37/1132628737.db2.gz FJKUMNCZFMTKSW-UHFFFAOYSA-N 1 2 341.465 3.716 20 0 EHADLO Cc1cccn2cc(CNc3cc[nH+]c(OCc4ccccn4)c3)nc12 ZINC001169022998 1132641102 /nfs/dbraw/zinc/64/11/02/1132641102.db2.gz VVWVYVPXVZQSFW-UHFFFAOYSA-N 1 2 345.406 3.624 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@@H](Cc1ccccc1)CC(C)C ZINC001169058749 1132645792 /nfs/dbraw/zinc/64/57/92/1132645792.db2.gz KOBGNBUYACYWRW-QZTJIDSGSA-N 1 2 337.529 3.918 20 0 EHADLO COC(=O)c1c(Cl)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350787 1132645962 /nfs/dbraw/zinc/64/59/62/1132645962.db2.gz HVWFEDCPPPGHKE-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO COCCOc1c(F)cc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175352998 1132647623 /nfs/dbraw/zinc/64/76/23/1132647623.db2.gz UOWSSXJCUDAGBP-UHFFFAOYSA-N 1 2 349.381 3.729 20 0 EHADLO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001169068121 1132649838 /nfs/dbraw/zinc/64/98/38/1132649838.db2.gz LFVUDADFBWQAQD-WIYYLYMNSA-N 1 2 341.451 3.523 20 0 EHADLO COc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1F ZINC001175394978 1132659215 /nfs/dbraw/zinc/65/92/15/1132659215.db2.gz FRYFSMYDEKIBJI-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccccc1Cl ZINC001169158538 1132681580 /nfs/dbraw/zinc/68/15/80/1132681580.db2.gz JKEXSBJKKPEIJH-UHFFFAOYSA-N 1 2 325.799 3.634 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cncc2ccccc21 ZINC001169159657 1132682155 /nfs/dbraw/zinc/68/21/55/1132682155.db2.gz UROGVURDPYUNAS-UHFFFAOYSA-N 1 2 342.402 3.528 20 0 EHADLO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(F)c(Cl)c1 ZINC001169261587 1132704437 /nfs/dbraw/zinc/70/44/37/1132704437.db2.gz REFHISAVXMRBLF-UHFFFAOYSA-N 1 2 338.854 3.845 20 0 EHADLO C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(F)c(Cl)c1 ZINC001169261587 1132704440 /nfs/dbraw/zinc/70/44/40/1132704440.db2.gz REFHISAVXMRBLF-UHFFFAOYSA-N 1 2 338.854 3.845 20 0 EHADLO COc1cc(NC2=CCC[N@H+](C)C2)c(Br)cc1Cl ZINC001175577521 1132714699 /nfs/dbraw/zinc/71/46/99/1132714699.db2.gz BHGGRHOMSXBARF-UHFFFAOYSA-N 1 2 331.641 3.742 20 0 EHADLO COc1cc(NC2=CCC[N@@H+](C)C2)c(Br)cc1Cl ZINC001175577521 1132714702 /nfs/dbraw/zinc/71/47/02/1132714702.db2.gz BHGGRHOMSXBARF-UHFFFAOYSA-N 1 2 331.641 3.742 20 0 EHADLO Cc1ccc(N[C@H](C2CCC2)C(F)(F)F)c(C[NH+]2CCOCC2)c1 ZINC001169287779 1132717365 /nfs/dbraw/zinc/71/73/65/1132717365.db2.gz NQLUFJSTZDNWPT-QGZVFWFLSA-N 1 2 342.405 3.970 20 0 EHADLO Nc1ncc(Nc2ccc([NH+]3CCCCC3)cc2)c(C(F)(F)F)n1 ZINC001175677444 1132736505 /nfs/dbraw/zinc/73/65/05/1132736505.db2.gz JMTSIWSBAKVMRK-UHFFFAOYSA-N 1 2 337.349 3.812 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc2snnc21 ZINC001175716126 1132741549 /nfs/dbraw/zinc/74/15/49/1132741549.db2.gz UCWKVEMCWINWEW-UHFFFAOYSA-N 1 2 325.319 3.739 20 0 EHADLO Cc1ccc2cc(NCc3nn(C)cc3Br)[nH+]cc2c1 ZINC001169386997 1132744135 /nfs/dbraw/zinc/74/41/35/1132744135.db2.gz IVVPWVOATMJNMW-UHFFFAOYSA-N 1 2 331.217 3.651 20 0 EHADLO COC(=O)c1c(C)csc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175705842 1132753838 /nfs/dbraw/zinc/75/38/38/1132753838.db2.gz IJWVTMXCZGREIU-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO c1cncc(-c2ccc(Nc3[nH+]cccc3N3CCOCC3)cc2)c1 ZINC001175887082 1132781996 /nfs/dbraw/zinc/78/19/96/1132781996.db2.gz ZCNNOPAHCFQPBU-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO c1cncc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)c1 ZINC001175889031 1132782425 /nfs/dbraw/zinc/78/24/25/1132782425.db2.gz UQCOUADFCPEDQA-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000867001616 1132794309 /nfs/dbraw/zinc/79/43/09/1132794309.db2.gz SNAZIDBMYOWTKF-IWCQGFGOSA-N 1 2 333.435 3.832 20 0 EHADLO CCOc1cc(Nc2ccc(C3(C(=O)OC)CC3)cc2)cc(C)[nH+]1 ZINC001175919598 1132797710 /nfs/dbraw/zinc/79/77/10/1132797710.db2.gz WAASDFZDMKEKBZ-UHFFFAOYSA-N 1 2 326.396 3.737 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c(F)c1F ZINC001176094377 1132833508 /nfs/dbraw/zinc/83/35/08/1132833508.db2.gz ZUHZABONWJEEEI-TXEJJXNPSA-N 1 2 348.397 3.729 20 0 EHADLO COc1ncc(C[N@@H+]2CCOc3cccc(F)c3C2)c2ccccc21 ZINC001169715859 1132833687 /nfs/dbraw/zinc/83/36/87/1132833687.db2.gz PMGKYFYVJLKDPB-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO COc1ncc(C[N@H+]2CCOc3cccc(F)c3C2)c2ccccc21 ZINC001169715859 1132833698 /nfs/dbraw/zinc/83/36/98/1132833698.db2.gz PMGKYFYVJLKDPB-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO Cc1ccc2ccc(F)c(Nc3ccc[nH+]c3N3CCOCC3)c2n1 ZINC001176113886 1132850431 /nfs/dbraw/zinc/85/04/31/1132850431.db2.gz OTMZSBZJUKOYEB-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO COc1cc[nH+]cc1Nc1c(Cl)ccc(Br)c1O ZINC001176123719 1132853777 /nfs/dbraw/zinc/85/37/77/1132853777.db2.gz FJOQGPYQAXWRFF-UHFFFAOYSA-N 1 2 329.581 3.955 20 0 EHADLO CCOc1ccccc1OCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC001169785734 1132858027 /nfs/dbraw/zinc/85/80/27/1132858027.db2.gz GHJKPSVQBOVFNM-UHFFFAOYSA-N 1 2 343.427 3.561 20 0 EHADLO c1csc(Cn2cc(Nc3cccc(Cn4cc[nH+]c4)c3)cn2)c1 ZINC001176160767 1132869675 /nfs/dbraw/zinc/86/96/75/1132869675.db2.gz BILOZZMCIYYYQX-UHFFFAOYSA-N 1 2 335.436 3.981 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)[nH+]c1C ZINC001176211672 1132875426 /nfs/dbraw/zinc/87/54/26/1132875426.db2.gz VLPDPKFBPRRYRZ-UHFFFAOYSA-N 1 2 333.391 3.881 20 0 EHADLO CN(C)c1ncc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cn1 ZINC001176330219 1132901355 /nfs/dbraw/zinc/90/13/55/1132901355.db2.gz YZXJQNGXOCSLFY-UHFFFAOYSA-N 1 2 333.317 3.853 20 0 EHADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc(F)n1 ZINC000767168192 1132957586 /nfs/dbraw/zinc/95/75/86/1132957586.db2.gz OOLVFFYNQHONAD-UHFFFAOYSA-N 1 2 349.409 3.862 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610269 1132971674 /nfs/dbraw/zinc/97/16/74/1132971674.db2.gz NMZMIDSPGDJYFC-YWZLYKJASA-N 1 2 329.440 3.657 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610269 1132971679 /nfs/dbraw/zinc/97/16/79/1132971679.db2.gz NMZMIDSPGDJYFC-YWZLYKJASA-N 1 2 329.440 3.657 20 0 EHADLO Cc1nc(Nc2cc(O)cc(Cl)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001176622213 1132973205 /nfs/dbraw/zinc/97/32/05/1132973205.db2.gz ODEREQIOGXQVBG-GHMZBOCLSA-N 1 2 348.834 3.501 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001176727134 1132988254 /nfs/dbraw/zinc/98/82/54/1132988254.db2.gz BKGGOLNRQMISBJ-UHFFFAOYSA-N 1 2 339.361 3.705 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001176727134 1132988258 /nfs/dbraw/zinc/98/82/58/1132988258.db2.gz BKGGOLNRQMISBJ-UHFFFAOYSA-N 1 2 339.361 3.705 20 0 EHADLO COc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1Br ZINC001176744536 1132991242 /nfs/dbraw/zinc/99/12/42/1132991242.db2.gz WJOIDPNORDEOMM-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Fc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC001176749271 1132992331 /nfs/dbraw/zinc/99/23/31/1132992331.db2.gz AEPYDNLFVKGTBX-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO C[C@@](CO)([NH2+]C/C(Cl)=C/Cl)c1cccc(Br)c1 ZINC001176818942 1133002364 /nfs/dbraw/zinc/00/23/64/1133002364.db2.gz GELOENAUXLVSBY-DSDFTUOUSA-N 1 2 339.060 3.565 20 0 EHADLO C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830709 1133003091 /nfs/dbraw/zinc/00/30/91/1133003091.db2.gz BXGQQUUOXNGSRP-HRAATJIYSA-N 1 2 349.434 3.619 20 0 EHADLO CC(=O)c1ccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)cc1 ZINC001176878942 1133006212 /nfs/dbraw/zinc/00/62/12/1133006212.db2.gz UNNSBZOCDSOEEY-UHFFFAOYSA-N 1 2 349.390 3.907 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001176873281 1133006916 /nfs/dbraw/zinc/00/69/16/1133006916.db2.gz FVTFMWCWQAFPMV-UHFFFAOYSA-N 1 2 326.787 3.627 20 0 EHADLO CN(Cc1ccccc1Oc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001176878165 1133006967 /nfs/dbraw/zinc/00/69/67/1133006967.db2.gz XSBMWSZFXUNMNO-UHFFFAOYSA-N 1 2 335.407 3.724 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3ccc(F)cc3C)CCO2)cc1OC ZINC001176947020 1133015612 /nfs/dbraw/zinc/01/56/12/1133015612.db2.gz TUHRWFOXIIOHLP-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3ccc(F)cc3C)CCO2)cc1OC ZINC001176947020 1133015619 /nfs/dbraw/zinc/01/56/19/1133015619.db2.gz TUHRWFOXIIOHLP-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC001176969289 1133017202 /nfs/dbraw/zinc/01/72/02/1133017202.db2.gz BGTCZBAYWILEGQ-IKGGRYGDSA-N 1 2 329.488 3.629 20 0 EHADLO CCc1[nH]c(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c[nH+]1 ZINC001156538017 1133043614 /nfs/dbraw/zinc/04/36/14/1133043614.db2.gz HPRMSNWKGWQFES-UHFFFAOYSA-N 1 2 331.725 3.574 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)[nH+]1 ZINC001156538017 1133043620 /nfs/dbraw/zinc/04/36/20/1133043620.db2.gz HPRMSNWKGWQFES-UHFFFAOYSA-N 1 2 331.725 3.574 20 0 EHADLO CC(C)(C)Oc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC001177387701 1133060676 /nfs/dbraw/zinc/06/06/76/1133060676.db2.gz YBUQCTQQHFZLNN-UHFFFAOYSA-N 1 2 341.455 3.708 20 0 EHADLO CCC1(CC)CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CCS1 ZINC000767860319 1133061146 /nfs/dbraw/zinc/06/11/46/1133061146.db2.gz ORGXGRXJKHDEDJ-UHFFFAOYSA-N 1 2 336.505 3.596 20 0 EHADLO Cc1cc(N2CCC(O)(c3cccc(C)c3C)CC2)nc(C2CC2)[nH+]1 ZINC000742416061 1133064632 /nfs/dbraw/zinc/06/46/32/1133064632.db2.gz PLCDTJDZUPNPJA-UHFFFAOYSA-N 1 2 337.467 3.767 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767874763 1133066955 /nfs/dbraw/zinc/06/69/55/1133066955.db2.gz ATGJPJCWSNJRNX-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767874763 1133066960 /nfs/dbraw/zinc/06/69/60/1133066960.db2.gz ATGJPJCWSNJRNX-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO O=C(Cc1cc(F)c(F)cc1F)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000768076359 1133093634 /nfs/dbraw/zinc/09/36/34/1133093634.db2.gz KRUDWRLEKVKAGB-UHFFFAOYSA-N 1 2 346.308 3.576 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1Oc1ccccc1)n1cc[nH+]c1 ZINC001177922776 1133113945 /nfs/dbraw/zinc/11/39/45/1133113945.db2.gz YACUWGJYNBJDBT-MRXNPFEDSA-N 1 2 335.407 3.895 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000768342938 1133127251 /nfs/dbraw/zinc/12/72/51/1133127251.db2.gz UOCILJDEDNWOOB-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000768342938 1133127253 /nfs/dbraw/zinc/12/72/53/1133127253.db2.gz UOCILJDEDNWOOB-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CN(C)c1ncc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC001178068730 1133130323 /nfs/dbraw/zinc/13/03/23/1133130323.db2.gz UZMLVYWHFFCNTQ-UHFFFAOYSA-N 1 2 333.848 3.660 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC001178106069 1133131672 /nfs/dbraw/zinc/13/16/72/1133131672.db2.gz PICBGYNUNDHCRD-UHFFFAOYSA-N 1 2 327.407 3.847 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178116799 1133132636 /nfs/dbraw/zinc/13/26/36/1133132636.db2.gz OIFLUCFORSPBDB-SECBINFHSA-N 1 2 343.736 3.756 20 0 EHADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC001178152713 1133137467 /nfs/dbraw/zinc/13/74/67/1133137467.db2.gz QTJIRDZCIRIQTQ-UHFFFAOYSA-N 1 2 342.443 3.700 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cc(C)on1)O[C@@H](C)C2 ZINC000768429958 1133138285 /nfs/dbraw/zinc/13/82/85/1133138285.db2.gz PLRXDEUWUMZXTH-SJCJKPOMSA-N 1 2 328.412 3.652 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cc(C)on1)O[C@@H](C)C2 ZINC000768429958 1133138288 /nfs/dbraw/zinc/13/82/88/1133138288.db2.gz PLRXDEUWUMZXTH-SJCJKPOMSA-N 1 2 328.412 3.652 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000768510653 1133147231 /nfs/dbraw/zinc/14/72/31/1133147231.db2.gz URJWIOCTPDJAOG-PMACEKPBSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000768510653 1133147234 /nfs/dbraw/zinc/14/72/34/1133147234.db2.gz URJWIOCTPDJAOG-PMACEKPBSA-N 1 2 345.870 3.973 20 0 EHADLO CCCCCCN(Cc1ccc(C)o1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178320628 1133159709 /nfs/dbraw/zinc/15/97/09/1133159709.db2.gz FRCUIFAOCIQQGS-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO Cc1ccc2c(C=CC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c[nH]c2c1 ZINC001178492043 1133173672 /nfs/dbraw/zinc/17/36/72/1133173672.db2.gz KMOXZVZUQLDSDO-HWKANZROSA-N 1 2 334.423 3.619 20 0 EHADLO Cc1ccc2c(C=CC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c[nH]c2c1 ZINC001178492043 1133173677 /nfs/dbraw/zinc/17/36/77/1133173677.db2.gz KMOXZVZUQLDSDO-HWKANZROSA-N 1 2 334.423 3.619 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204224226 1133191470 /nfs/dbraw/zinc/19/14/70/1133191470.db2.gz QPRPMUWZBBLPRX-ZDUSSCGKSA-N 1 2 340.414 3.654 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204224226 1133191473 /nfs/dbraw/zinc/19/14/73/1133191473.db2.gz QPRPMUWZBBLPRX-ZDUSSCGKSA-N 1 2 340.414 3.654 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H](F)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000768990419 1133211293 /nfs/dbraw/zinc/21/12/93/1133211293.db2.gz MMGINGUVMSBNFH-KXBFYZLASA-N 1 2 342.414 3.729 20 0 EHADLO CCCOc1ccc(CNc2cc(CO)cc[nH+]2)c(OCCC)c1 ZINC001178991492 1133219573 /nfs/dbraw/zinc/21/95/73/1133219573.db2.gz DDNJVTMQOBSFJF-UHFFFAOYSA-N 1 2 330.428 3.764 20 0 EHADLO Cc1cc(NCc2c[nH]c(C(=O)OCc3ccccc3)c2)c[nH+]c1C ZINC001179447436 1133251535 /nfs/dbraw/zinc/25/15/35/1133251535.db2.gz GRNPWACINHZTTG-UHFFFAOYSA-N 1 2 335.407 3.996 20 0 EHADLO Fc1cccc(Cl)c1C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC001179453888 1133253366 /nfs/dbraw/zinc/25/33/66/1133253366.db2.gz RRXCSJZOOOHMEM-UHFFFAOYSA-N 1 2 328.778 3.621 20 0 EHADLO CCc1ncc(C[NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC000769388283 1133275589 /nfs/dbraw/zinc/27/55/89/1133275589.db2.gz KQJZSTCVUMZGHC-CHWSQXEVSA-N 1 2 339.505 3.535 20 0 EHADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769401492 1133277256 /nfs/dbraw/zinc/27/72/56/1133277256.db2.gz JVJLBFZUIXMLMF-IBGZPJMESA-N 1 2 345.487 3.555 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](CCCO)C1CC1 ZINC000769405277 1133278760 /nfs/dbraw/zinc/27/87/60/1133278760.db2.gz SRLNLOZPGQJBSF-UHFFFAOYSA-N 1 2 347.890 3.996 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](CCCO)C1CC1 ZINC000769405277 1133278764 /nfs/dbraw/zinc/27/87/64/1133278764.db2.gz SRLNLOZPGQJBSF-UHFFFAOYSA-N 1 2 347.890 3.996 20 0 EHADLO COc1nsc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1Cl ZINC001179763822 1133281736 /nfs/dbraw/zinc/28/17/36/1133281736.db2.gz KSYJEVIEEFUNDR-JTQLQIEISA-N 1 2 340.880 3.653 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769508705 1133305347 /nfs/dbraw/zinc/30/53/47/1133305347.db2.gz URXZHCXHDRYUKS-GOSISDBHSA-N 1 2 331.387 3.764 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769508705 1133305353 /nfs/dbraw/zinc/30/53/53/1133305353.db2.gz URXZHCXHDRYUKS-GOSISDBHSA-N 1 2 331.387 3.764 20 0 EHADLO Cc1cc(C)c(/C=C/C[NH+]2CCN(C(=O)CC(C)C)CC2)c(C)c1 ZINC001180017432 1133317210 /nfs/dbraw/zinc/31/72/10/1133317210.db2.gz BEAHHFGQVDQKIJ-VOTSOKGWSA-N 1 2 328.500 3.815 20 0 EHADLO CCCN(C)c1ccccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001170009420 1133332636 /nfs/dbraw/zinc/33/26/36/1133332636.db2.gz ONXCEPXBHNQZGC-SFHVURJKSA-N 1 2 328.460 3.955 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180194479 1133347451 /nfs/dbraw/zinc/34/74/51/1133347451.db2.gz DVUUAUZJECUXCG-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001180194479 1133347454 /nfs/dbraw/zinc/34/74/54/1133347454.db2.gz DVUUAUZJECUXCG-LBPRGKRZSA-N 1 2 344.286 3.517 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C2CC2)c(C2CC2)c1)C1CC1 ZINC001180235506 1133349198 /nfs/dbraw/zinc/34/91/98/1133349198.db2.gz XYGPHFUPJBSEKA-CQSZACIVSA-N 1 2 347.524 3.839 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C2CC2)c(C2CC2)c1)C1CC1 ZINC001180235506 1133349206 /nfs/dbraw/zinc/34/92/06/1133349206.db2.gz XYGPHFUPJBSEKA-CQSZACIVSA-N 1 2 347.524 3.839 20 0 EHADLO Brc1ccoc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000769933710 1133369272 /nfs/dbraw/zinc/36/92/72/1133369272.db2.gz HVGSDLSCELRBFX-UHFFFAOYSA-N 1 2 336.185 3.550 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3nc4ccccc4o3)C2=O)cc1 ZINC000770177464 1133394271 /nfs/dbraw/zinc/39/42/71/1133394271.db2.gz PXSAFDSHMQCVJT-GOSISDBHSA-N 1 2 349.434 3.764 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3nc4ccccc4o3)C2=O)cc1 ZINC000770177464 1133394275 /nfs/dbraw/zinc/39/42/75/1133394275.db2.gz PXSAFDSHMQCVJT-GOSISDBHSA-N 1 2 349.434 3.764 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1cc2ccccc2o1 ZINC001181099796 1133451205 /nfs/dbraw/zinc/45/12/05/1133451205.db2.gz FWGJNUUWTACIHG-UHFFFAOYSA-N 1 2 345.402 3.820 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)OCc1cccc2[nH+]ccn21 ZINC000770733428 1133466262 /nfs/dbraw/zinc/46/62/62/1133466262.db2.gz KHKMDOBZMBWAGQ-UHFFFAOYSA-N 1 2 333.391 3.882 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770734155 1133466605 /nfs/dbraw/zinc/46/66/05/1133466605.db2.gz RTAWQKQIXZRUAV-AWEZNQCLSA-N 1 2 326.421 3.699 20 0 EHADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1 ZINC001181381777 1133482339 /nfs/dbraw/zinc/48/23/39/1133482339.db2.gz BJBCUOAIDDBNGN-IBGZPJMESA-N 1 2 327.424 3.994 20 0 EHADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1 ZINC001181381777 1133482343 /nfs/dbraw/zinc/48/23/43/1133482343.db2.gz BJBCUOAIDDBNGN-IBGZPJMESA-N 1 2 327.424 3.994 20 0 EHADLO CC(C)(C)c1ccccc1OCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770926271 1133485290 /nfs/dbraw/zinc/48/52/90/1133485290.db2.gz RWCMYXORLMIKEE-UHFFFAOYSA-N 1 2 338.407 3.754 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(Oc2ccccc2)ccn1 ZINC000770928902 1133486559 /nfs/dbraw/zinc/48/65/59/1133486559.db2.gz MEXCHBZXCKZLOT-UHFFFAOYSA-N 1 2 345.358 3.879 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H](CC)CC(C)C ZINC001181817402 1133539955 /nfs/dbraw/zinc/53/99/55/1133539955.db2.gz RGACLFZOKSPOJH-CQSZACIVSA-N 1 2 344.459 3.849 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@H]1CCC(=O)C1 ZINC001181883417 1133547170 /nfs/dbraw/zinc/54/71/70/1133547170.db2.gz IKNJALKVUQHHGM-INIZCTEOSA-N 1 2 334.419 3.510 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@H]1CCC(=O)C1 ZINC001181883417 1133547174 /nfs/dbraw/zinc/54/71/74/1133547174.db2.gz IKNJALKVUQHHGM-INIZCTEOSA-N 1 2 334.419 3.510 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCSC[C@H]2C2CC2)c2n1CCCC2 ZINC001181901131 1133548582 /nfs/dbraw/zinc/54/85/82/1133548582.db2.gz PZOYBOOYILQNRQ-AWEZNQCLSA-N 1 2 345.434 3.566 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCSC[C@H]2C2CC2)c2n1CCCC2 ZINC001181901131 1133548585 /nfs/dbraw/zinc/54/85/85/1133548585.db2.gz PZOYBOOYILQNRQ-AWEZNQCLSA-N 1 2 345.434 3.566 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NCc1ncccc1C)c1ccccc1Cl ZINC001182218125 1133597899 /nfs/dbraw/zinc/59/78/99/1133597899.db2.gz GVXBTSFHUMCQGB-SFHVURJKSA-N 1 2 345.874 3.743 20 0 EHADLO O=C(Nc1ncccn1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242400 1133606859 /nfs/dbraw/zinc/60/68/59/1133606859.db2.gz BZHSSXVZNUWAGH-MRXNPFEDSA-N 1 2 344.846 3.686 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000771856913 1133608368 /nfs/dbraw/zinc/60/83/68/1133608368.db2.gz VRVCVUZCVAECND-UHFFFAOYSA-N 1 2 339.376 3.610 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000774167687 1133627409 /nfs/dbraw/zinc/62/74/09/1133627409.db2.gz YBSGHOQLXVNLMI-KTKRTIGZSA-N 1 2 337.810 3.855 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2ccccc2[nH]1 ZINC000752354153 1133633673 /nfs/dbraw/zinc/63/36/73/1133633673.db2.gz MDYYHVNNLCHGRI-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2ccccc2[nH]1 ZINC000752354153 1133633679 /nfs/dbraw/zinc/63/36/79/1133633679.db2.gz MDYYHVNNLCHGRI-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO O=C(Cc1c[nH]c2c1cccc2F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182555477 1133696256 /nfs/dbraw/zinc/69/62/56/1133696256.db2.gz GTRCDVWDCUSHNK-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780427674 1133706240 /nfs/dbraw/zinc/70/62/40/1133706240.db2.gz OBQBSQMIKIZRIE-QRWLVFNGSA-N 1 2 340.492 3.815 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780427674 1133706243 /nfs/dbraw/zinc/70/62/43/1133706243.db2.gz OBQBSQMIKIZRIE-QRWLVFNGSA-N 1 2 340.492 3.815 20 0 EHADLO CCOc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC001182763415 1133723953 /nfs/dbraw/zinc/72/39/53/1133723953.db2.gz GIODPZUVGQLWKA-GDBMZVCRSA-N 1 2 349.471 3.789 20 0 EHADLO CCOc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC001182763415 1133723958 /nfs/dbraw/zinc/72/39/58/1133723958.db2.gz GIODPZUVGQLWKA-GDBMZVCRSA-N 1 2 349.471 3.789 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)c1ccc(F)cc1 ZINC001182891160 1133744869 /nfs/dbraw/zinc/74/48/69/1133744869.db2.gz VMCGXZXOBRXGJO-UHFFFAOYSA-N 1 2 345.324 3.801 20 0 EHADLO CCOC[C@@H]1C[N@H+](C/C(C)=C/c2ccccc2C(F)(F)F)CCO1 ZINC001183248599 1133785177 /nfs/dbraw/zinc/78/51/77/1133785177.db2.gz POIFQHHHPUMQTK-DKGMDFAASA-N 1 2 343.389 3.846 20 0 EHADLO CCOC[C@@H]1C[N@@H+](C/C(C)=C/c2ccccc2C(F)(F)F)CCO1 ZINC001183248599 1133785183 /nfs/dbraw/zinc/78/51/83/1133785183.db2.gz POIFQHHHPUMQTK-DKGMDFAASA-N 1 2 343.389 3.846 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001170054762 1133793897 /nfs/dbraw/zinc/79/38/97/1133793897.db2.gz VTEFORGJIMPYHH-HNNXBMFYSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001170054762 1133793902 /nfs/dbraw/zinc/79/39/02/1133793902.db2.gz VTEFORGJIMPYHH-HNNXBMFYSA-N 1 2 342.842 3.922 20 0 EHADLO Oc1ccc(Cl)c(C[NH2+]Cc2cc(Br)cnc2F)c1 ZINC001183532609 1133824957 /nfs/dbraw/zinc/82/49/57/1133824957.db2.gz FNBSMNVRKMPDCI-UHFFFAOYSA-N 1 2 345.599 3.632 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC001183752953 1133854108 /nfs/dbraw/zinc/85/41/08/1133854108.db2.gz PSFVBOPDEXMZTE-GOSISDBHSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC001183752953 1133854118 /nfs/dbraw/zinc/85/41/18/1133854118.db2.gz PSFVBOPDEXMZTE-GOSISDBHSA-N 1 2 338.451 3.903 20 0 EHADLO CC(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756542 1133856063 /nfs/dbraw/zinc/85/60/63/1133856063.db2.gz IZOOEFDGABJMKK-UXHICEINSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756542 1133856075 /nfs/dbraw/zinc/85/60/75/1133856075.db2.gz IZOOEFDGABJMKK-UXHICEINSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)(C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(O)cc1 ZINC001183781583 1133856658 /nfs/dbraw/zinc/85/66/58/1133856658.db2.gz GUNQFUIIDIIIOU-UHFFFAOYSA-N 1 2 335.407 3.553 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc2c(c1)oc1ccccc12 ZINC001183850202 1133864140 /nfs/dbraw/zinc/86/41/40/1133864140.db2.gz SJILBIKGVOXDAS-HNNXBMFYSA-N 1 2 340.398 3.750 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc2c(c1)oc1ccccc12 ZINC001183850202 1133864150 /nfs/dbraw/zinc/86/41/50/1133864150.db2.gz SJILBIKGVOXDAS-HNNXBMFYSA-N 1 2 340.398 3.750 20 0 EHADLO Cc1c(C)c(C)c(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1C ZINC001184422146 1133938691 /nfs/dbraw/zinc/93/86/91/1133938691.db2.gz JUWZYMBWPCXFSJ-UHFFFAOYSA-N 1 2 339.483 3.901 20 0 EHADLO Cc1c(C)c(C)c(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)c1C ZINC001184422146 1133938693 /nfs/dbraw/zinc/93/86/93/1133938693.db2.gz JUWZYMBWPCXFSJ-UHFFFAOYSA-N 1 2 339.483 3.901 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(Br)cc1 ZINC000774786774 1133995456 /nfs/dbraw/zinc/99/54/56/1133995456.db2.gz JXMYHTBYUHYCNF-SNVBAGLBSA-N 1 2 338.249 3.980 20 0 EHADLO Nc1cc(COC(=O)c2cc3c(s2)-c2ccccc2CC3)cc[nH+]1 ZINC000787562818 1134017190 /nfs/dbraw/zinc/01/71/90/1134017190.db2.gz KHOXGKXQDWXQTG-UHFFFAOYSA-N 1 2 336.416 3.848 20 0 EHADLO COCCNc1cccc(F)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001185044595 1134024524 /nfs/dbraw/zinc/02/45/24/1134024524.db2.gz VDYAQMDITIZDAV-UHFFFAOYSA-N 1 2 330.407 3.623 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000774838055 1134046397 /nfs/dbraw/zinc/04/63/97/1134046397.db2.gz HMDYROTUTIKOCB-UHFFFAOYSA-N 1 2 347.434 3.580 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000774838055 1134046405 /nfs/dbraw/zinc/04/64/05/1134046405.db2.gz HMDYROTUTIKOCB-UHFFFAOYSA-N 1 2 347.434 3.580 20 0 EHADLO Cc1nc(N2CC[C@H](Cc3ccc(F)cc3)C2)c2c([nH+]1)CCCC2 ZINC001185413972 1134088681 /nfs/dbraw/zinc/08/86/81/1134088681.db2.gz LUUIJKZZOGHWRZ-MRXNPFEDSA-N 1 2 325.431 3.872 20 0 EHADLO CC1CC[NH+](c2ccc(Nc3nc(Cl)nc4nc[nH]c43)cc2)CC1 ZINC001185459115 1134091153 /nfs/dbraw/zinc/09/11/53/1134091153.db2.gz CCMLRJJXVUTKGX-UHFFFAOYSA-N 1 2 342.834 3.986 20 0 EHADLO C[C@H](Oc1ccc(C(=O)OCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000788226631 1134097240 /nfs/dbraw/zinc/09/72/40/1134097240.db2.gz NBXZWYWFCUVXMU-INIZCTEOSA-N 1 2 336.391 3.880 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc(Cl)o1 ZINC000788239752 1134098055 /nfs/dbraw/zinc/09/80/55/1134098055.db2.gz MCVRCFXFGPEUQZ-LBPRGKRZSA-N 1 2 347.846 3.991 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc(Cl)o1 ZINC000788239752 1134098062 /nfs/dbraw/zinc/09/80/62/1134098062.db2.gz MCVRCFXFGPEUQZ-LBPRGKRZSA-N 1 2 347.846 3.991 20 0 EHADLO CC[C@@H](SC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245488 1134100901 /nfs/dbraw/zinc/10/09/01/1134100901.db2.gz RIBQDWULYDFGKH-XJKSGUPXSA-N 1 2 335.517 3.573 20 0 EHADLO CC[C@@H](SC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245488 1134100907 /nfs/dbraw/zinc/10/09/07/1134100907.db2.gz RIBQDWULYDFGKH-XJKSGUPXSA-N 1 2 335.517 3.573 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc3ccn(C)c32)c1C ZINC000788315047 1134112882 /nfs/dbraw/zinc/11/28/82/1134112882.db2.gz RZWXSYLIPFSZNW-UHFFFAOYSA-N 1 2 338.411 3.520 20 0 EHADLO CCC1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCCC1 ZINC000774962256 1134155200 /nfs/dbraw/zinc/15/52/00/1134155200.db2.gz HXYAEQCBXZQTSS-MRXNPFEDSA-N 1 2 332.492 3.670 20 0 EHADLO CCc1cc(NCc2nc3cccc(Cl)c3n2C)nc(CC)[nH+]1 ZINC001186156482 1134176244 /nfs/dbraw/zinc/17/62/44/1134176244.db2.gz JAPHJIWKWRNPRV-UHFFFAOYSA-N 1 2 329.835 3.754 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001186275237 1134192039 /nfs/dbraw/zinc/19/20/39/1134192039.db2.gz CBQDUFPELLXLOZ-UHFFFAOYSA-N 1 2 337.345 3.865 20 0 EHADLO Cn1cc(-c2cc(CNc3cc(-c4ccncc4)cc[nH+]3)ccn2)cn1 ZINC001170115832 1134321995 /nfs/dbraw/zinc/32/19/95/1134321995.db2.gz MALOCVQPKKNQPA-UHFFFAOYSA-N 1 2 342.406 3.551 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000789791199 1134334481 /nfs/dbraw/zinc/33/44/81/1134334481.db2.gz FTWOVXRSMGRHRA-UHFFFAOYSA-N 1 2 334.419 3.728 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccccc2F)c1C ZINC000746865009 1134351331 /nfs/dbraw/zinc/35/13/31/1134351331.db2.gz WIDYBXQQIYALNI-KTKRTIGZSA-N 1 2 328.387 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccc(F)cc2)c1C ZINC000746864975 1134351375 /nfs/dbraw/zinc/35/13/75/1134351375.db2.gz JWJOWDQQWJDVJK-CYBMUJFWSA-N 1 2 344.430 3.683 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cccnc1-c1ccccc1 ZINC001187826858 1134391879 /nfs/dbraw/zinc/39/18/79/1134391879.db2.gz GFSIEMZFQHWNFV-UHFFFAOYSA-N 1 2 332.407 3.600 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC001187984877 1134408471 /nfs/dbraw/zinc/40/84/71/1134408471.db2.gz YUQQOXOECVBPCA-MRXNPFEDSA-N 1 2 329.375 3.604 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001250263800 1134415270 /nfs/dbraw/zinc/41/52/70/1134415270.db2.gz SCYMUEJTTBPHHR-LLVKDONJSA-N 1 2 325.733 3.845 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001250263800 1134415274 /nfs/dbraw/zinc/41/52/74/1134415274.db2.gz SCYMUEJTTBPHHR-LLVKDONJSA-N 1 2 325.733 3.845 20 0 EHADLO O=C(NCc1c[nH+]c2ccc(F)cn12)Nc1cccc2ccccc21 ZINC001188961744 1134525624 /nfs/dbraw/zinc/52/56/24/1134525624.db2.gz ODUJHFIIKSPNSU-UHFFFAOYSA-N 1 2 334.354 3.948 20 0 EHADLO CC(=O)c1cccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791410489 1134547565 /nfs/dbraw/zinc/54/75/65/1134547565.db2.gz BNVYSLXYEUNMHE-UHFFFAOYSA-N 1 2 334.375 3.740 20 0 EHADLO CC(C)(C)c1ccc(OCCCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791455943 1134555156 /nfs/dbraw/zinc/55/51/56/1134555156.db2.gz JRZYGUVQOFSIIQ-UHFFFAOYSA-N 1 2 342.439 3.864 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2NCc2ccccc2)cc[nH+]1 ZINC000791826292 1134615605 /nfs/dbraw/zinc/61/56/05/1134615605.db2.gz SHFGHSVMZRBSHK-UHFFFAOYSA-N 1 2 333.391 3.633 20 0 EHADLO COc1cc(C2(C(=O)OCc3cc[nH+]c(N)c3)CCCC2)ccc1C ZINC000791874435 1134626534 /nfs/dbraw/zinc/62/65/34/1134626534.db2.gz CZTVNANCQGHVLC-UHFFFAOYSA-N 1 2 340.423 3.536 20 0 EHADLO Cc1ccc([C@@H](NC(=O)c2cccc3[nH+]ccn32)c2ccccn2)cc1 ZINC000791948512 1134630967 /nfs/dbraw/zinc/63/09/67/1134630967.db2.gz XSRLRGHBAWSSTL-HXUWFJFHSA-N 1 2 342.402 3.557 20 0 EHADLO O=C(Nc1cccc2cc(O)ccc21)c1ccccc1-n1cc[nH+]c1 ZINC001190098896 1134654970 /nfs/dbraw/zinc/65/49/70/1134654970.db2.gz AVSOZCHLRRFWSY-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CC(C)c1nc(CN(C)C(=O)c2ccccc2-n2cc[nH+]c2)cs1 ZINC001190098908 1134655364 /nfs/dbraw/zinc/65/53/64/1134655364.db2.gz WGDCKWACQMQMMQ-UHFFFAOYSA-N 1 2 340.452 3.724 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000792162860 1134659668 /nfs/dbraw/zinc/65/96/68/1134659668.db2.gz QKEAFJGMLFXFSO-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000792162860 1134659670 /nfs/dbraw/zinc/65/96/70/1134659670.db2.gz QKEAFJGMLFXFSO-GFCCVEGCSA-N 1 2 330.881 3.891 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000792296158 1134677078 /nfs/dbraw/zinc/67/70/78/1134677078.db2.gz WRXRFXRIBSYHIF-UHFFFAOYSA-N 1 2 347.846 3.722 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(C)ns1)C[C@@H]1CCCO1 ZINC001190324034 1134682695 /nfs/dbraw/zinc/68/26/95/1134682695.db2.gz CTMIWQXDWDWSHJ-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(C)ns1)C[C@@H]1CCCO1 ZINC001190324034 1134682697 /nfs/dbraw/zinc/68/26/97/1134682697.db2.gz CTMIWQXDWDWSHJ-INIZCTEOSA-N 1 2 332.469 3.641 20 0 EHADLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000792562417 1134712645 /nfs/dbraw/zinc/71/26/45/1134712645.db2.gz OEHUEJNVYKHEBV-WOJBJXKFSA-N 1 2 349.434 3.504 20 0 EHADLO CCOc1cc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001190585308 1134723366 /nfs/dbraw/zinc/72/33/66/1134723366.db2.gz MLFZLHJMPFAZQG-UHFFFAOYSA-N 1 2 343.333 3.802 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Nc1ccccc1OC(F)(F)F ZINC001190700635 1134734634 /nfs/dbraw/zinc/73/46/34/1134734634.db2.gz JRSJHTPATJJGMX-UHFFFAOYSA-N 1 2 342.321 3.684 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCCCc1ccccc1 ZINC001191200538 1134814837 /nfs/dbraw/zinc/81/48/37/1134814837.db2.gz YRDZMEJJYBYFAJ-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nc2ccccc12 ZINC000792914703 1134823741 /nfs/dbraw/zinc/82/37/41/1134823741.db2.gz XMVYNTIMHCLQLL-GOEBONIOSA-N 1 2 336.266 3.954 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nc2ccccc12 ZINC000792914703 1134823747 /nfs/dbraw/zinc/82/37/47/1134823747.db2.gz XMVYNTIMHCLQLL-GOEBONIOSA-N 1 2 336.266 3.954 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H](F)CC1CCCCC1 ZINC000792921448 1134824989 /nfs/dbraw/zinc/82/49/89/1134824989.db2.gz NNIODBXKOYVWIZ-QGZVFWFLSA-N 1 2 333.451 3.607 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)Nc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001191676218 1134898810 /nfs/dbraw/zinc/89/88/10/1134898810.db2.gz IYRPZBKPRFQQCN-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000793338091 1134907672 /nfs/dbraw/zinc/90/76/72/1134907672.db2.gz UTKNQVXJJVQXFG-UHFFFAOYSA-N 1 2 345.802 3.960 20 0 EHADLO Cc1cc(NC(=O)Nc2cc[nH+]c(N3CCOCC3)c2)ccc1Cl ZINC001191739357 1134915213 /nfs/dbraw/zinc/91/52/13/1134915213.db2.gz AHPZIXRRHFADPG-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO O=C(C[C@H]1CCCOC1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390015 1134921937 /nfs/dbraw/zinc/92/19/37/1134921937.db2.gz BUPNTZAQTMAKOM-OAHLLOKOSA-N 1 2 340.423 3.609 20 0 EHADLO C[C@@]12CC[N@H+](Cn3nc(C(F)(F)F)sc3=S)C[C@@H]1C2(F)F ZINC000793522810 1134945683 /nfs/dbraw/zinc/94/56/83/1134945683.db2.gz FGLJYFKFAWVWSJ-IMTBSYHQSA-N 1 2 345.362 3.627 20 0 EHADLO C[C@@]12CC[N@@H+](Cn3nc(C(F)(F)F)sc3=S)C[C@@H]1C2(F)F ZINC000793522810 1134945690 /nfs/dbraw/zinc/94/56/90/1134945690.db2.gz FGLJYFKFAWVWSJ-IMTBSYHQSA-N 1 2 345.362 3.627 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001192045185 1134959640 /nfs/dbraw/zinc/95/96/40/1134959640.db2.gz ZNTWNZOPWJDNFG-UHFFFAOYSA-N 1 2 347.633 3.745 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(F)cc1C ZINC000793728819 1134983746 /nfs/dbraw/zinc/98/37/46/1134983746.db2.gz RCEDMRXQOYHLJC-UHFFFAOYSA-N 1 2 334.297 3.676 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1C ZINC001203756009 1135015607 /nfs/dbraw/zinc/01/56/07/1135015607.db2.gz PWUWIDSHDWZBNN-UHFFFAOYSA-N 1 2 346.471 3.507 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1C ZINC001203756009 1135015612 /nfs/dbraw/zinc/01/56/12/1135015612.db2.gz PWUWIDSHDWZBNN-UHFFFAOYSA-N 1 2 346.471 3.507 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444135 1135020228 /nfs/dbraw/zinc/02/02/28/1135020228.db2.gz SXLHHESVHSLOAN-ZBFHGGJFSA-N 1 2 339.863 3.771 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444135 1135020236 /nfs/dbraw/zinc/02/02/36/1135020236.db2.gz SXLHHESVHSLOAN-ZBFHGGJFSA-N 1 2 339.863 3.771 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)[nH]1 ZINC000794254786 1135032624 /nfs/dbraw/zinc/03/26/24/1135032624.db2.gz LTVDHDBXGZNRJV-CQSZACIVSA-N 1 2 334.851 3.625 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)[nH]1 ZINC000794254786 1135032631 /nfs/dbraw/zinc/03/26/31/1135032631.db2.gz LTVDHDBXGZNRJV-CQSZACIVSA-N 1 2 334.851 3.625 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)[nH]1 ZINC000794254785 1135032783 /nfs/dbraw/zinc/03/27/83/1135032783.db2.gz LTVDHDBXGZNRJV-AWEZNQCLSA-N 1 2 334.851 3.625 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)[nH]1 ZINC000794254785 1135032788 /nfs/dbraw/zinc/03/27/88/1135032788.db2.gz LTVDHDBXGZNRJV-AWEZNQCLSA-N 1 2 334.851 3.625 20 0 EHADLO C[C@H]1[C@H](C)[N@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672866 1135043613 /nfs/dbraw/zinc/04/36/13/1135043613.db2.gz JYBZYNYQOKYCKR-QWRGUYRKSA-N 1 2 342.427 3.569 20 0 EHADLO C[C@H]1[C@H](C)[N@@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672866 1135043614 /nfs/dbraw/zinc/04/36/14/1135043614.db2.gz JYBZYNYQOKYCKR-QWRGUYRKSA-N 1 2 342.427 3.569 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3Cc4cccc(C)c4CC3(C)C)ccn12 ZINC001129468174 1135066516 /nfs/dbraw/zinc/06/65/16/1135066516.db2.gz JBUBPHHPPUWYJW-UHFFFAOYSA-N 1 2 333.435 3.928 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)N[C@H](C)c3ccc(F)cc3)c[nH+]c12 ZINC001193167516 1135111938 /nfs/dbraw/zinc/11/19/38/1135111938.db2.gz RXCACKDGGQDRLC-KGLIPLIRSA-N 1 2 340.402 3.903 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1Cl ZINC001193288524 1135122960 /nfs/dbraw/zinc/12/29/60/1135122960.db2.gz NEZBVQYHPAKKTP-QGZVFWFLSA-N 1 2 346.833 3.916 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1Cl ZINC001193288524 1135122962 /nfs/dbraw/zinc/12/29/62/1135122962.db2.gz NEZBVQYHPAKKTP-QGZVFWFLSA-N 1 2 346.833 3.916 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](CCOc1cccc2ccccc21)C1CC1 ZINC001193472028 1135140690 /nfs/dbraw/zinc/14/06/90/1135140690.db2.gz BOQWXXJRUAYHGQ-OAHLLOKOSA-N 1 2 327.424 3.635 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](CCOc1cccc2ccccc21)C1CC1 ZINC001193472028 1135140693 /nfs/dbraw/zinc/14/06/93/1135140693.db2.gz BOQWXXJRUAYHGQ-OAHLLOKOSA-N 1 2 327.424 3.635 20 0 EHADLO CC[C@@H]1CC([NH2+][C@H]2CC2(F)F)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170460079 1135154453 /nfs/dbraw/zinc/15/44/53/1135154453.db2.gz QBHBCXBTYKCHBQ-MCIONIFRSA-N 1 2 332.435 3.940 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC001193962288 1135207053 /nfs/dbraw/zinc/20/70/53/1135207053.db2.gz FEZYDAWSKDTRPP-SFHVURJKSA-N 1 2 341.398 3.986 20 0 EHADLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1OC(F)F ZINC001193962288 1135207056 /nfs/dbraw/zinc/20/70/56/1135207056.db2.gz FEZYDAWSKDTRPP-SFHVURJKSA-N 1 2 341.398 3.986 20 0 EHADLO O=C(c1cncc(-c2ccsc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001193989986 1135211956 /nfs/dbraw/zinc/21/19/56/1135211956.db2.gz NGRPBXRMHSEKND-CYBMUJFWSA-N 1 2 338.436 3.553 20 0 EHADLO Nc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)c[nH+]1 ZINC001170470052 1135213546 /nfs/dbraw/zinc/21/35/46/1135213546.db2.gz KJLNQNYEFDXFGP-UHFFFAOYSA-N 1 2 329.407 3.674 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2c1cccc2C(F)(F)F ZINC001129991565 1135215839 /nfs/dbraw/zinc/21/58/39/1135215839.db2.gz QZXSPSXRKLVNQI-UHFFFAOYSA-N 1 2 345.324 3.946 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)cc1Cl ZINC001194279544 1135247548 /nfs/dbraw/zinc/24/75/48/1135247548.db2.gz JPRGXLCSJZBGJM-UHFFFAOYSA-N 1 2 333.838 3.759 20 0 EHADLO Cc1ccc(OC(=O)NCc2c[nH+]cn2Cc2ccccc2F)cc1 ZINC001194481207 1135276959 /nfs/dbraw/zinc/27/69/59/1135276959.db2.gz JHVKGRHVJRVBND-UHFFFAOYSA-N 1 2 339.370 3.668 20 0 EHADLO COc1c(Cl)c(Cl)sc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001194548504 1135284951 /nfs/dbraw/zinc/28/49/51/1135284951.db2.gz NWVMMMRQRFQUOU-UHFFFAOYSA-N 1 2 342.207 3.964 20 0 EHADLO Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC000805614100 1135298003 /nfs/dbraw/zinc/29/80/03/1135298003.db2.gz AGLOWZWUAAXQPN-MRXNPFEDSA-N 1 2 331.456 3.601 20 0 EHADLO CCCCOC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000805781245 1135325389 /nfs/dbraw/zinc/32/53/89/1135325389.db2.gz PZRYPHFBUBSTEZ-HNNXBMFYSA-N 1 2 335.448 3.598 20 0 EHADLO CCCCOC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000805781245 1135325393 /nfs/dbraw/zinc/32/53/93/1135325393.db2.gz PZRYPHFBUBSTEZ-HNNXBMFYSA-N 1 2 335.448 3.598 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000805789846 1135328343 /nfs/dbraw/zinc/32/83/43/1135328343.db2.gz MACVISRXMZEUTR-PWSUYJOCSA-N 1 2 329.275 3.506 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000805789846 1135328351 /nfs/dbraw/zinc/32/83/51/1135328351.db2.gz MACVISRXMZEUTR-PWSUYJOCSA-N 1 2 329.275 3.506 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000805841206 1135334702 /nfs/dbraw/zinc/33/47/02/1135334702.db2.gz JJNYTLMUAOIYMT-UHFFFAOYSA-N 1 2 334.419 3.973 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000805841206 1135334706 /nfs/dbraw/zinc/33/47/06/1135334706.db2.gz JJNYTLMUAOIYMT-UHFFFAOYSA-N 1 2 334.419 3.973 20 0 EHADLO CN(Cc1ccc(F)cc1F)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194894862 1135335799 /nfs/dbraw/zinc/33/57/99/1135335799.db2.gz JWWYLMYLPBFXBM-UHFFFAOYSA-N 1 2 341.361 3.638 20 0 EHADLO Cc1ccc(CCCNC(=O)c2cccc(-c3c[nH+]cn3C)c2)s1 ZINC001194906370 1135337924 /nfs/dbraw/zinc/33/79/24/1135337924.db2.gz FOTJJRMYPXIZHF-UHFFFAOYSA-N 1 2 339.464 3.820 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3cc(C)cc(C)c3)CC2)cs1 ZINC000805848284 1135338414 /nfs/dbraw/zinc/33/84/14/1135338414.db2.gz LURKBJDKJNIGER-UHFFFAOYSA-N 1 2 344.480 3.886 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCc3cccc(F)c3)CC2)cs1 ZINC000805862519 1135340703 /nfs/dbraw/zinc/34/07/03/1135340703.db2.gz YHXVSBOAGZCBDR-UHFFFAOYSA-N 1 2 348.443 3.546 20 0 EHADLO CC(C)[C@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1cccnc1 ZINC001194927119 1135342103 /nfs/dbraw/zinc/34/21/03/1135342103.db2.gz IBXAFXGYPVHRFP-IBGZPJMESA-N 1 2 334.423 3.609 20 0 EHADLO CCOc1ccccc1OCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195045709 1135358652 /nfs/dbraw/zinc/35/86/52/1135358652.db2.gz MDEYCBBUQHNIFK-OAHLLOKOSA-N 1 2 349.471 3.659 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195045709 1135358657 /nfs/dbraw/zinc/35/86/57/1135358657.db2.gz MDEYCBBUQHNIFK-OAHLLOKOSA-N 1 2 349.471 3.659 20 0 EHADLO CC[C@H](C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001195152094 1135382080 /nfs/dbraw/zinc/38/20/80/1135382080.db2.gz UZBFNYDWXSKORN-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cc(F)ccc1F ZINC000775652369 1135417325 /nfs/dbraw/zinc/41/73/25/1135417325.db2.gz FTZAZQILUWETAJ-LJQANCHMSA-N 1 2 342.393 3.846 20 0 EHADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C1CCCCCC1 ZINC001195612305 1135448335 /nfs/dbraw/zinc/44/83/35/1135448335.db2.gz CZUNRXACDMGNEV-QZTJIDSGSA-N 1 2 337.504 3.970 20 0 EHADLO O=C(NC1(c2ccccc2Cl)CCC1)c1cccc2[nH+]ccn21 ZINC001130680686 1135455997 /nfs/dbraw/zinc/45/59/97/1135455997.db2.gz DBZSGPAPDOMFNN-UHFFFAOYSA-N 1 2 325.799 3.797 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001195852112 1135475597 /nfs/dbraw/zinc/47/55/97/1135475597.db2.gz WGPUYPLZWCVHIX-INIZCTEOSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001195852112 1135475602 /nfs/dbraw/zinc/47/56/02/1135475602.db2.gz WGPUYPLZWCVHIX-INIZCTEOSA-N 1 2 326.440 3.668 20 0 EHADLO Cc1ccc(F)cc1NC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001195944125 1135487800 /nfs/dbraw/zinc/48/78/00/1135487800.db2.gz HJPMNTKWEQFESQ-UHFFFAOYSA-N 1 2 332.448 3.617 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCCC(C)(C)C)cc1F ZINC001195926679 1135491774 /nfs/dbraw/zinc/49/17/74/1135491774.db2.gz ACHQNGRCQNMEFX-MRXNPFEDSA-N 1 2 336.451 3.524 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCCC(C)(C)C)cc1F ZINC001195926679 1135491778 /nfs/dbraw/zinc/49/17/78/1135491778.db2.gz ACHQNGRCQNMEFX-MRXNPFEDSA-N 1 2 336.451 3.524 20 0 EHADLO O=C(C[NH+]1CCC(C2CCC2)CC1)Nc1nc(-c2ccco2)cs1 ZINC001195947751 1135498885 /nfs/dbraw/zinc/49/88/85/1135498885.db2.gz XCVNDOIQUHHDBG-UHFFFAOYSA-N 1 2 345.468 3.854 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC001196158228 1135525106 /nfs/dbraw/zinc/52/51/06/1135525106.db2.gz FJRKITFOAMOVAL-STQMWFEESA-N 1 2 342.302 3.826 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC001196158228 1135525108 /nfs/dbraw/zinc/52/51/08/1135525108.db2.gz FJRKITFOAMOVAL-STQMWFEESA-N 1 2 342.302 3.826 20 0 EHADLO Cc1cccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c1C ZINC001196397649 1135555566 /nfs/dbraw/zinc/55/55/66/1135555566.db2.gz JUGYHEKXFUXSSD-UHFFFAOYSA-N 1 2 341.480 3.939 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3sccc3c2)C1 ZINC001196470244 1135564668 /nfs/dbraw/zinc/56/46/68/1135564668.db2.gz WKBSIHZBSWANAC-ZDUSSCGKSA-N 1 2 326.425 3.656 20 0 EHADLO Cc1cccc(NC(=S)NCc2c[nH+]c3ccc(F)cn23)c1C ZINC001196450070 1135568089 /nfs/dbraw/zinc/56/80/89/1135568089.db2.gz ZFBYHZSBYHLGGR-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1Br)c1ccc2[nH]c(=O)oc2c1 ZINC001196573516 1135584011 /nfs/dbraw/zinc/58/40/11/1135584011.db2.gz HTPQLMJAAOOEGM-SECBINFHSA-N 1 2 348.200 3.542 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC001196666682 1135595630 /nfs/dbraw/zinc/59/56/30/1135595630.db2.gz IAMJVVHBZWKGNI-AWEZNQCLSA-N 1 2 338.442 3.827 20 0 EHADLO COc1cc(C[N@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc(OC)c1 ZINC000747452934 1135609962 /nfs/dbraw/zinc/60/99/62/1135609962.db2.gz BZBVVDSSUUPRGD-UHFFFAOYSA-N 1 2 349.500 3.786 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc(OC)c1 ZINC000747452934 1135609964 /nfs/dbraw/zinc/60/99/64/1135609964.db2.gz BZBVVDSSUUPRGD-UHFFFAOYSA-N 1 2 349.500 3.786 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000747456079 1135619697 /nfs/dbraw/zinc/61/96/97/1135619697.db2.gz HPYCMDHDCDTDNG-OAHLLOKOSA-N 1 2 333.501 3.511 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1CC3(CCCC3)CC1=O)CCC2 ZINC000747456079 1135619698 /nfs/dbraw/zinc/61/96/98/1135619698.db2.gz HPYCMDHDCDTDNG-OAHLLOKOSA-N 1 2 333.501 3.511 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cncc(OC)c2)CC1 ZINC001196959941 1135634459 /nfs/dbraw/zinc/63/44/59/1135634459.db2.gz AWLDLIFCCPUIHM-IBGZPJMESA-N 1 2 347.409 3.642 20 0 EHADLO CN(C)c1ccccc1C[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000808235472 1135639179 /nfs/dbraw/zinc/63/91/79/1135639179.db2.gz QWWDUOXKGIMHAM-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000808235472 1135639182 /nfs/dbraw/zinc/63/91/82/1135639182.db2.gz QWWDUOXKGIMHAM-UHFFFAOYSA-N 1 2 345.446 3.956 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+](CC(F)F)C2CCC2)C1 ZINC001197837239 1135740354 /nfs/dbraw/zinc/74/03/54/1135740354.db2.gz NVUWMYSLDIVXKH-CYBMUJFWSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+](CC(F)F)C2CCC2)C1 ZINC001197837239 1135740357 /nfs/dbraw/zinc/74/03/57/1135740357.db2.gz NVUWMYSLDIVXKH-CYBMUJFWSA-N 1 2 332.435 3.753 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001198000310 1135760452 /nfs/dbraw/zinc/76/04/52/1135760452.db2.gz GUTJMYCXLXOJAG-AWEZNQCLSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001198000310 1135760453 /nfs/dbraw/zinc/76/04/53/1135760453.db2.gz GUTJMYCXLXOJAG-AWEZNQCLSA-N 1 2 329.271 3.873 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(Cl)ccc1OCC1CC1)C2 ZINC001198085541 1135770804 /nfs/dbraw/zinc/77/08/04/1135770804.db2.gz VMNDBGQQDYQFCN-UHFFFAOYSA-N 1 2 345.874 3.904 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)C2 ZINC001198085541 1135770807 /nfs/dbraw/zinc/77/08/07/1135770807.db2.gz VMNDBGQQDYQFCN-UHFFFAOYSA-N 1 2 345.874 3.904 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(C)c(Cl)c1C ZINC001198237264 1135790773 /nfs/dbraw/zinc/79/07/73/1135790773.db2.gz URKHCRDYCCLOHY-UHFFFAOYSA-N 1 2 337.876 3.652 20 0 EHADLO O=C(Nc1c(Cl)ccc(O)c1Cl)c1cncn1-c1cc[nH+]cc1 ZINC001198552319 1135834853 /nfs/dbraw/zinc/83/48/53/1135834853.db2.gz OGQRPJOBEVOJKL-UHFFFAOYSA-N 1 2 349.177 3.532 20 0 EHADLO Cc1cn2cc(NC(=S)Nc3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC001198726541 1135848596 /nfs/dbraw/zinc/84/85/96/1135848596.db2.gz WNFBKGDGCOMTQA-UHFFFAOYSA-N 1 2 325.441 3.518 20 0 EHADLO Cc1nonc1C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000809743706 1135884141 /nfs/dbraw/zinc/88/41/41/1135884141.db2.gz AQIJZGKYYOAONI-UHFFFAOYSA-N 1 2 339.239 3.705 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2occc2Br)cc1 ZINC000768199385 1135921793 /nfs/dbraw/zinc/92/17/93/1135921793.db2.gz VRJGNYRODDXOPG-UHFFFAOYSA-N 1 2 340.217 3.562 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2occc2Br)cc1 ZINC000768199385 1135921797 /nfs/dbraw/zinc/92/17/97/1135921797.db2.gz VRJGNYRODDXOPG-UHFFFAOYSA-N 1 2 340.217 3.562 20 0 EHADLO Clc1cc(C[NH2+]Cc2nc3ccccc3o2)cc2c1OCCO2 ZINC001199783291 1135929586 /nfs/dbraw/zinc/92/95/86/1135929586.db2.gz BKUGMNHGDXSOEA-UHFFFAOYSA-N 1 2 330.771 3.542 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C(C)C)cn2)n1 ZINC000810190587 1135936011 /nfs/dbraw/zinc/93/60/11/1135936011.db2.gz SPULHDMLIWDZRA-UHFFFAOYSA-N 1 2 332.473 3.756 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)nc2ccccc12 ZINC001199990329 1135943697 /nfs/dbraw/zinc/94/36/97/1135943697.db2.gz IOTGKEWIARPODX-UHFFFAOYSA-N 1 2 348.381 3.621 20 0 EHADLO C[C@H](Cc1ccccc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810562382 1135972784 /nfs/dbraw/zinc/97/27/84/1135972784.db2.gz YOBUQRICHQDQOE-QGZVFWFLSA-N 1 2 334.419 3.648 20 0 EHADLO Cc1cc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001201033997 1135980379 /nfs/dbraw/zinc/98/03/79/1135980379.db2.gz JOMSSCLNHQZSLR-MRXNPFEDSA-N 1 2 345.443 3.769 20 0 EHADLO CSc1ccc(NC(=S)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001201181164 1135992433 /nfs/dbraw/zinc/99/24/33/1135992433.db2.gz FKIROTKTZYXXLE-UHFFFAOYSA-N 1 2 332.498 3.639 20 0 EHADLO CSc1ccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001201181399 1135993162 /nfs/dbraw/zinc/99/31/62/1135993162.db2.gz LUMRREAKHYNTNY-OAHLLOKOSA-N 1 2 345.493 3.654 20 0 EHADLO CSc1ccc(NC(=S)NCc2ccc3[nH+]ccn3c2)cc1 ZINC001201194807 1135994676 /nfs/dbraw/zinc/99/46/76/1135994676.db2.gz RYLGPPLGIMJHCD-UHFFFAOYSA-N 1 2 328.466 3.543 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)CCN2CCCc3ccccc32)c1C ZINC001170614390 1136001904 /nfs/dbraw/zinc/00/19/04/1136001904.db2.gz LISQDKFGCHLSPA-UHFFFAOYSA-N 1 2 339.483 3.592 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCSC1 ZINC000810872428 1136015341 /nfs/dbraw/zinc/01/53/41/1136015341.db2.gz DAKNDUIPOGFMEJ-HNNXBMFYSA-N 1 2 342.464 3.935 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001201451673 1136026608 /nfs/dbraw/zinc/02/66/08/1136026608.db2.gz VUCKWDNDRCUMGD-QKIFEPKBSA-N 1 2 336.273 3.923 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001201451673 1136026610 /nfs/dbraw/zinc/02/66/10/1136026610.db2.gz VUCKWDNDRCUMGD-QKIFEPKBSA-N 1 2 336.273 3.923 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132621151 1136046672 /nfs/dbraw/zinc/04/66/72/1136046672.db2.gz CGQHAMCLRPCQRI-QRWLVFNGSA-N 1 2 338.451 3.780 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132621151 1136046674 /nfs/dbraw/zinc/04/66/74/1136046674.db2.gz CGQHAMCLRPCQRI-QRWLVFNGSA-N 1 2 338.451 3.780 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cnn(C(F)F)c2)cc[nH+]1 ZINC001201723452 1136055308 /nfs/dbraw/zinc/05/53/08/1136055308.db2.gz SEDXKNVWYBXAQL-UHFFFAOYSA-N 1 2 325.319 3.764 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Cl)cc1 ZINC001132814821 1136087763 /nfs/dbraw/zinc/08/77/63/1136087763.db2.gz CXFAKNKLSBPSSU-KRWDZBQOSA-N 1 2 325.799 3.708 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3ccsc3)C2)c1 ZINC001204042600 1136089610 /nfs/dbraw/zinc/08/96/10/1136089610.db2.gz HNZGZELGLGDCCB-INIZCTEOSA-N 1 2 335.494 3.531 20 0 EHADLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC001204042600 1136089613 /nfs/dbraw/zinc/08/96/13/1136089613.db2.gz HNZGZELGLGDCCB-INIZCTEOSA-N 1 2 335.494 3.531 20 0 EHADLO CCOc1ccccc1NC(=O)Nc1cc[nH+]c(N2CCCC2)c1 ZINC001202138996 1136099164 /nfs/dbraw/zinc/09/91/64/1136099164.db2.gz PZTNUFZVCMJKIE-UHFFFAOYSA-N 1 2 326.400 3.725 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)cc(F)c3)CC2)cc1 ZINC001132892245 1136108777 /nfs/dbraw/zinc/10/87/77/1136108777.db2.gz VJZBVHRQNDBVKY-UHFFFAOYSA-N 1 2 340.442 3.655 20 0 EHADLO Cc1cccn2cc(C[S@](=O)CCOc3cccc(Cl)c3)[nH+]c12 ZINC000811676267 1136120959 /nfs/dbraw/zinc/12/09/59/1136120959.db2.gz ACTUBBGRDSFLTK-HSZRJFAPSA-N 1 2 348.855 3.624 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811732640 1136132082 /nfs/dbraw/zinc/13/20/82/1136132082.db2.gz AKWLFVSIVKDAQN-KRWDZBQOSA-N 1 2 328.481 3.938 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811732640 1136132084 /nfs/dbraw/zinc/13/20/84/1136132084.db2.gz AKWLFVSIVKDAQN-KRWDZBQOSA-N 1 2 328.481 3.938 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@H]2C2CC2)c1 ZINC000811760015 1136136495 /nfs/dbraw/zinc/13/64/95/1136136495.db2.gz JOBSXFIIYMYRNZ-GOSISDBHSA-N 1 2 330.472 3.510 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@H]2C2CC2)c1 ZINC000811760015 1136136497 /nfs/dbraw/zinc/13/64/97/1136136497.db2.gz JOBSXFIIYMYRNZ-GOSISDBHSA-N 1 2 330.472 3.510 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000811762483 1136136961 /nfs/dbraw/zinc/13/69/61/1136136961.db2.gz RXWYONGMWSFKBZ-AWEZNQCLSA-N 1 2 339.361 3.569 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000811762483 1136136963 /nfs/dbraw/zinc/13/69/63/1136136963.db2.gz RXWYONGMWSFKBZ-AWEZNQCLSA-N 1 2 339.361 3.569 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033160 1136146369 /nfs/dbraw/zinc/14/63/69/1136146369.db2.gz RKHFABICDMYZBL-WIYYLYMNSA-N 1 2 347.462 3.928 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)nn1C1CCCCC1 ZINC000776338540 1136159315 /nfs/dbraw/zinc/15/93/15/1136159315.db2.gz LHXLVCBRNSZXRO-UHFFFAOYSA-N 1 2 341.459 3.718 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cn1)C2 ZINC000338916732 1136163242 /nfs/dbraw/zinc/16/32/42/1136163242.db2.gz IFKNTURMLLUPRE-RYUDHWBXSA-N 1 2 346.862 3.564 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cn1)CC2 ZINC000338916732 1136163244 /nfs/dbraw/zinc/16/32/44/1136163244.db2.gz IFKNTURMLLUPRE-RYUDHWBXSA-N 1 2 346.862 3.564 20 0 EHADLO Fc1c[nH]c2nc[nH+]c(N[C@@H](Cc3ccccc3)c3nccs3)c12 ZINC001170658158 1136163838 /nfs/dbraw/zinc/16/38/38/1136163838.db2.gz YSEDDXVNQXOWML-ZDUSSCGKSA-N 1 2 339.399 3.949 20 0 EHADLO CC[C@](C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000107640358 1136175294 /nfs/dbraw/zinc/17/52/94/1136175294.db2.gz QEVJNSRMFALWIK-NRFANRHFSA-N 1 2 333.435 3.987 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@H]3CCCOC3)c(=S)o2)cc1C ZINC000107671014 1136175532 /nfs/dbraw/zinc/17/55/32/1136175532.db2.gz BIIFISZFIAQLAP-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CCCOC3)c(=S)o2)cc1C ZINC000107671014 1136175535 /nfs/dbraw/zinc/17/55/35/1136175535.db2.gz BIIFISZFIAQLAP-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000747780769 1136192519 /nfs/dbraw/zinc/19/25/19/1136192519.db2.gz IZNJUYRGIIDCCL-UHFFFAOYSA-N 1 2 333.800 3.554 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncnn21 ZINC000850351824 1136239541 /nfs/dbraw/zinc/23/95/41/1136239541.db2.gz IVYFBSQFLMHYCM-UFBFGSQYSA-N 1 2 330.741 3.746 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccccc2N2CCCCC2)c1F ZINC000850381027 1136246170 /nfs/dbraw/zinc/24/61/70/1136246170.db2.gz UEVREARCURHTAL-UHFFFAOYSA-N 1 2 329.419 3.509 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000812832727 1136256368 /nfs/dbraw/zinc/25/63/68/1136256368.db2.gz BTJZERVIYUAFMZ-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000850450775 1136261405 /nfs/dbraw/zinc/26/14/05/1136261405.db2.gz TVYWUVKQBRVQGA-AWEZNQCLSA-N 1 2 337.423 3.962 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852093 1136262237 /nfs/dbraw/zinc/26/22/37/1136262237.db2.gz VVWWZVWVIVDDJN-SUMWQHHRSA-N 1 2 343.452 3.742 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852093 1136262240 /nfs/dbraw/zinc/26/22/40/1136262240.db2.gz VVWWZVWVIVDDJN-SUMWQHHRSA-N 1 2 343.452 3.742 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850512166 1136273779 /nfs/dbraw/zinc/27/37/79/1136273779.db2.gz XACBGAFNIUXERZ-ZJUUUORDSA-N 1 2 346.424 3.551 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000850562466 1136286318 /nfs/dbraw/zinc/28/63/18/1136286318.db2.gz VMEPOHFVDOIMIR-HZSPNIEDSA-N 1 2 333.444 3.887 20 0 EHADLO CCCc1csc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000776482019 1136296044 /nfs/dbraw/zinc/29/60/44/1136296044.db2.gz ONRFZCOOXBKFHK-CYBMUJFWSA-N 1 2 335.477 3.529 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc3ccccc3n2)c1C ZINC000813431276 1136331337 /nfs/dbraw/zinc/33/13/37/1136331337.db2.gz YRKJLKREOGMZML-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO c1cn(-c2ccc(CNc3cnc(-c4ccccc4)cn3)cc2)c[nH+]1 ZINC000813588836 1136347329 /nfs/dbraw/zinc/34/73/29/1136347329.db2.gz CUBJIEXSILNDFJ-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Fc1cccc(-c2nnc(COc3ccccc3-n3cc[nH+]c3)o2)c1 ZINC000747859178 1136348640 /nfs/dbraw/zinc/34/86/40/1136348640.db2.gz ZVHOLYRSKJQQPU-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)c2ccccc2F)c1C ZINC000813613332 1136351252 /nfs/dbraw/zinc/35/12/52/1136351252.db2.gz CSMFGMYQZONTDQ-UHFFFAOYSA-N 1 2 345.418 3.581 20 0 EHADLO O=C(CCc1ccsc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397732 1136376004 /nfs/dbraw/zinc/37/60/04/1136376004.db2.gz MCCFMMKRZIVVBI-UHFFFAOYSA-N 1 2 330.453 3.536 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398998 1136376257 /nfs/dbraw/zinc/37/62/57/1136376257.db2.gz KFQSAFPWJYQBNL-QGZVFWFLSA-N 1 2 338.451 3.720 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc2ccncc2c1 ZINC000851401187 1136377047 /nfs/dbraw/zinc/37/70/47/1136377047.db2.gz GIYQLGMMYDXTLM-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OCCC[C@@H]1CCCCC1=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813962531 1136379277 /nfs/dbraw/zinc/37/92/77/1136379277.db2.gz HDGYNTPFSVIYBE-RBUKOAKNSA-N 1 2 343.467 3.734 20 0 EHADLO O=C(OCCC[C@@H]1CCCCC1=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813962531 1136379280 /nfs/dbraw/zinc/37/92/80/1136379280.db2.gz HDGYNTPFSVIYBE-RBUKOAKNSA-N 1 2 343.467 3.734 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839614 1136412719 /nfs/dbraw/zinc/41/27/19/1136412719.db2.gz ZLXHPRQTEFQRSV-NWDGAFQWSA-N 1 2 349.272 3.856 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000851839614 1136412722 /nfs/dbraw/zinc/41/27/22/1136412722.db2.gz ZLXHPRQTEFQRSV-NWDGAFQWSA-N 1 2 349.272 3.856 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC000814302870 1136438541 /nfs/dbraw/zinc/43/85/41/1136438541.db2.gz KVVQJFAKKBDUMX-CYBMUJFWSA-N 1 2 341.411 3.750 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852344850 1136451179 /nfs/dbraw/zinc/45/11/79/1136451179.db2.gz SGFKZXGAXWCVEG-MRXNPFEDSA-N 1 2 347.890 3.952 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852344850 1136451182 /nfs/dbraw/zinc/45/11/82/1136451182.db2.gz SGFKZXGAXWCVEG-MRXNPFEDSA-N 1 2 347.890 3.952 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000852547360 1136464814 /nfs/dbraw/zinc/46/48/14/1136464814.db2.gz NCAFJEBPUGTQJY-RTBURBONSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1C[C@@H](O)c1ccccc1F ZINC000852547360 1136464817 /nfs/dbraw/zinc/46/48/17/1136464817.db2.gz NCAFJEBPUGTQJY-RTBURBONSA-N 1 2 347.405 3.850 20 0 EHADLO C/C(=C/C(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000110717613 1136468295 /nfs/dbraw/zinc/46/82/95/1136468295.db2.gz ZTMIJTDDHKNGTH-SQFISAMPSA-N 1 2 327.403 3.633 20 0 EHADLO COC(=O)c1csc(SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000814789486 1136504816 /nfs/dbraw/zinc/50/48/16/1136504816.db2.gz FHOUMUKKLQVYRE-UHFFFAOYSA-N 1 2 345.449 3.716 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)c1cccc2ccccc21 ZINC000815014994 1136537670 /nfs/dbraw/zinc/53/76/70/1136537670.db2.gz DRUHGUODGIOGHB-INIZCTEOSA-N 1 2 331.366 3.597 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)c1cccc2ccccc21 ZINC000815014994 1136537673 /nfs/dbraw/zinc/53/76/73/1136537673.db2.gz DRUHGUODGIOGHB-INIZCTEOSA-N 1 2 331.366 3.597 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000853513019 1136539570 /nfs/dbraw/zinc/53/95/70/1136539570.db2.gz SJPALENBUDDOHY-HXUWFJFHSA-N 1 2 339.483 3.557 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000853513019 1136539572 /nfs/dbraw/zinc/53/95/72/1136539572.db2.gz SJPALENBUDDOHY-HXUWFJFHSA-N 1 2 339.483 3.557 20 0 EHADLO O=C1C[C@H](c2ccccc2F)CN1C[NH+]1CCC(c2ccco2)CC1 ZINC000853527154 1136541749 /nfs/dbraw/zinc/54/17/49/1136541749.db2.gz MQPPITZFCICPDO-INIZCTEOSA-N 1 2 342.414 3.572 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@H](C3CCC3)C2)c(=S)n1C ZINC000853588214 1136547199 /nfs/dbraw/zinc/54/71/99/1136547199.db2.gz CXUWZMPARFNIQL-HNNXBMFYSA-N 1 2 346.500 3.989 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@H](C3CCC3)C2)c(=S)n1C ZINC000853588214 1136547202 /nfs/dbraw/zinc/54/72/02/1136547202.db2.gz CXUWZMPARFNIQL-HNNXBMFYSA-N 1 2 346.500 3.989 20 0 EHADLO CC(C)c1nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c(=S)n1C ZINC000853611124 1136549213 /nfs/dbraw/zinc/54/92/13/1136549213.db2.gz WQRCQXSRWUZBGY-HNNXBMFYSA-N 1 2 330.501 3.694 20 0 EHADLO CC(C)c1nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c(=S)n1C ZINC000853611124 1136549216 /nfs/dbraw/zinc/54/92/16/1136549216.db2.gz WQRCQXSRWUZBGY-HNNXBMFYSA-N 1 2 330.501 3.694 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)CC2=CCSC2)c1=S ZINC000853618869 1136549791 /nfs/dbraw/zinc/54/97/91/1136549791.db2.gz OVUMUPQFULMDQI-UHFFFAOYSA-N 1 2 331.510 3.786 20 0 EHADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)CC2=CCSC2)c1=S ZINC000853618869 1136549793 /nfs/dbraw/zinc/54/97/93/1136549793.db2.gz OVUMUPQFULMDQI-UHFFFAOYSA-N 1 2 331.510 3.786 20 0 EHADLO Cc1nn(C[N@H+](C)C[C@@H]2CC2(C)C)c(=S)n1Cc1ccccc1 ZINC000853627732 1136550480 /nfs/dbraw/zinc/55/04/80/1136550480.db2.gz ZRLINHMCVOAPDP-INIZCTEOSA-N 1 2 330.501 3.706 20 0 EHADLO Cc1nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c(=S)n1Cc1ccccc1 ZINC000853627732 1136550484 /nfs/dbraw/zinc/55/04/84/1136550484.db2.gz ZRLINHMCVOAPDP-INIZCTEOSA-N 1 2 330.501 3.706 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCc2ccc[nH+]c2N)cc1 ZINC000853693084 1136555809 /nfs/dbraw/zinc/55/58/09/1136555809.db2.gz IUBVNSKTUDCCOG-CYBMUJFWSA-N 1 2 343.427 3.829 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(c2ccco2)CC1 ZINC000853763995 1136561575 /nfs/dbraw/zinc/56/15/75/1136561575.db2.gz ABENIVMIMNTYFN-UHFFFAOYSA-N 1 2 325.416 3.558 20 0 EHADLO CCc1ncc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)s1 ZINC000776692857 1136566301 /nfs/dbraw/zinc/56/63/01/1136566301.db2.gz DZLAQMDKTUMSBZ-OLZOCXBDSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)s1 ZINC000776692857 1136566304 /nfs/dbraw/zinc/56/63/04/1136566304.db2.gz DZLAQMDKTUMSBZ-OLZOCXBDSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000815174174 1136566486 /nfs/dbraw/zinc/56/64/86/1136566486.db2.gz QVABNFBLOYGTRU-UHFFFAOYSA-N 1 2 326.396 3.538 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000815174174 1136566488 /nfs/dbraw/zinc/56/64/88/1136566488.db2.gz QVABNFBLOYGTRU-UHFFFAOYSA-N 1 2 326.396 3.538 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000854161024 1136593509 /nfs/dbraw/zinc/59/35/09/1136593509.db2.gz VNBUXEFMFZCCBJ-AWEZNQCLSA-N 1 2 337.851 3.668 20 0 EHADLO CCOC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000780756208 1136595889 /nfs/dbraw/zinc/59/58/89/1136595889.db2.gz CADUACSMUDURRN-UHFFFAOYSA-N 1 2 344.411 3.736 20 0 EHADLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000780756208 1136595890 /nfs/dbraw/zinc/59/58/90/1136595890.db2.gz CADUACSMUDURRN-UHFFFAOYSA-N 1 2 344.411 3.736 20 0 EHADLO O=C(Nc1cc(F)c(O)cc1Cl)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000885674200 1136598874 /nfs/dbraw/zinc/59/88/74/1136598874.db2.gz KFAAXJSNHZHBOV-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1cc(F)c(O)cc1Cl)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000885674200 1136598879 /nfs/dbraw/zinc/59/88/79/1136598879.db2.gz KFAAXJSNHZHBOV-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO COC[C@@H]1CCC[N@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000112961784 1136665428 /nfs/dbraw/zinc/66/54/28/1136665428.db2.gz MRLFYNFQZRKTTH-GFCCVEGCSA-N 1 2 339.892 3.679 20 0 EHADLO COC[C@@H]1CCC[N@@H+](Cn2c3cc(Cl)ccc3n(C)c2=S)C1 ZINC000112961784 1136665429 /nfs/dbraw/zinc/66/54/29/1136665429.db2.gz MRLFYNFQZRKTTH-GFCCVEGCSA-N 1 2 339.892 3.679 20 0 EHADLO CC[C@@H](C)CCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381589 1136673951 /nfs/dbraw/zinc/67/39/51/1136673951.db2.gz KUSYFCBBSASXDH-LJQANCHMSA-N 1 2 346.515 3.816 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cncc3ccccc32)no1 ZINC000776808433 1136686836 /nfs/dbraw/zinc/68/68/36/1136686836.db2.gz IBJQJRQMFGSDIS-UHFFFAOYSA-N 1 2 325.412 3.828 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1Cl ZINC001138022714 1136710751 /nfs/dbraw/zinc/71/07/51/1136710751.db2.gz KDHNJSHFZOYOIK-HZMBPMFUSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1Cl ZINC001138022714 1136710754 /nfs/dbraw/zinc/71/07/54/1136710754.db2.gz KDHNJSHFZOYOIK-HZMBPMFUSA-N 1 2 339.760 3.923 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000816520327 1136727093 /nfs/dbraw/zinc/72/70/93/1136727093.db2.gz MBYKRTHRKHAWJZ-TZMCWYRMSA-N 1 2 338.498 3.687 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000816520327 1136727094 /nfs/dbraw/zinc/72/70/94/1136727094.db2.gz MBYKRTHRKHAWJZ-TZMCWYRMSA-N 1 2 338.498 3.687 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000816520326 1136727183 /nfs/dbraw/zinc/72/71/83/1136727183.db2.gz MBYKRTHRKHAWJZ-OCCSQVGLSA-N 1 2 338.498 3.687 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000816520326 1136727187 /nfs/dbraw/zinc/72/71/87/1136727187.db2.gz MBYKRTHRKHAWJZ-OCCSQVGLSA-N 1 2 338.498 3.687 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000816901965 1136764286 /nfs/dbraw/zinc/76/42/86/1136764286.db2.gz DRBROKIQFKJZPD-INIZCTEOSA-N 1 2 331.828 3.573 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000265997304 1136777043 /nfs/dbraw/zinc/77/70/43/1136777043.db2.gz MGNCWKXYJBRYOK-QGZVFWFLSA-N 1 2 348.450 3.615 20 0 EHADLO CON(C(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339725 1136777673 /nfs/dbraw/zinc/77/76/73/1136777673.db2.gz BEBHTBPTXKUTHY-LLVKDONJSA-N 1 2 341.333 3.512 20 0 EHADLO CON(C(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339725 1136777676 /nfs/dbraw/zinc/77/76/76/1136777676.db2.gz BEBHTBPTXKUTHY-LLVKDONJSA-N 1 2 341.333 3.512 20 0 EHADLO O=C(Nc1nnc(CC2CCCCC2)s1)c1cccc2[nH+]ccn21 ZINC000776892486 1136799215 /nfs/dbraw/zinc/79/92/15/1136799215.db2.gz GZUOTGXUSYXSJD-UHFFFAOYSA-N 1 2 341.440 3.561 20 0 EHADLO CCC1(CC)CCN(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000817360368 1136802986 /nfs/dbraw/zinc/80/29/86/1136802986.db2.gz ONSPUUYIOCGTGU-UHFFFAOYSA-N 1 2 342.483 3.578 20 0 EHADLO Cc1cc(CNC(=O)c2c(Cl)nccc2C(F)(F)F)cc(C)[nH+]1 ZINC000817459234 1136808560 /nfs/dbraw/zinc/80/85/60/1136808560.db2.gz UJVIPCNQZQGDDK-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn(C)nc2Cl)c(OC2CCCC2)c1 ZINC000856772010 1136809415 /nfs/dbraw/zinc/80/94/15/1136809415.db2.gz QQZFRTRNLBPYAR-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO Brc1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CCCCO3)CC2 ZINC001170869030 1136810664 /nfs/dbraw/zinc/81/06/64/1136810664.db2.gz HTIHJLZQVXLLKX-MRXNPFEDSA-N 1 2 336.273 3.561 20 0 EHADLO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000856822366 1136815523 /nfs/dbraw/zinc/81/55/23/1136815523.db2.gz KDCVMIPJWHEVHQ-WBVHZDCISA-N 1 2 343.414 3.541 20 0 EHADLO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655573 1136817797 /nfs/dbraw/zinc/81/77/97/1136817797.db2.gz USBWDPLMWSAQGJ-HNNXBMFYSA-N 1 2 344.817 3.709 20 0 EHADLO O=C1c2ccccc2CN1[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655573 1136817801 /nfs/dbraw/zinc/81/78/01/1136817801.db2.gz USBWDPLMWSAQGJ-HNNXBMFYSA-N 1 2 344.817 3.709 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817504638 1136818359 /nfs/dbraw/zinc/81/83/59/1136818359.db2.gz AISGJQPETFQTPD-UHFFFAOYSA-N 1 2 347.846 3.913 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000857026636 1136833969 /nfs/dbraw/zinc/83/39/69/1136833969.db2.gz UJRXWZUAZQTCGB-RHSMWYFYSA-N 1 2 335.469 3.618 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000857026636 1136833972 /nfs/dbraw/zinc/83/39/72/1136833972.db2.gz UJRXWZUAZQTCGB-RHSMWYFYSA-N 1 2 335.469 3.618 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]cn2C(C)C)cc1)[C@@H]1C[C@H]1C ZINC000818216857 1136866413 /nfs/dbraw/zinc/86/64/13/1136866413.db2.gz IXOUGENVBDRXML-AUUYWEPGSA-N 1 2 326.444 3.837 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1nn(CC)nc1C ZINC000818221536 1136867761 /nfs/dbraw/zinc/86/77/61/1136867761.db2.gz PNEXQFIMVKKLSC-UHFFFAOYSA-N 1 2 347.482 3.662 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1F ZINC001137656556 1136885451 /nfs/dbraw/zinc/88/54/51/1136885451.db2.gz LDXMGLPTXDCCDE-STQMWFEESA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1F ZINC001137656556 1136885455 /nfs/dbraw/zinc/88/54/55/1136885455.db2.gz LDXMGLPTXDCCDE-STQMWFEESA-N 1 2 343.723 3.706 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)c2)[nH+]c1C ZINC000857852051 1136913727 /nfs/dbraw/zinc/91/37/27/1136913727.db2.gz KNJNEAMKMSXSPI-APPDUMDISA-N 1 2 349.438 3.721 20 0 EHADLO O=C(Nc1cc(CCc2ccccc2)ccn1)c1cccc2[nH+]ccn21 ZINC000776996782 1136915038 /nfs/dbraw/zinc/91/50/38/1136915038.db2.gz WDVMWZJVLMYEEG-UHFFFAOYSA-N 1 2 342.402 3.767 20 0 EHADLO CC(C)(c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1)C(F)(F)F ZINC000857980113 1136927085 /nfs/dbraw/zinc/92/70/85/1136927085.db2.gz UGGUPVMDPPFXRC-ZDUSSCGKSA-N 1 2 337.345 3.598 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCn4c[nH+]cc43)sc2c1 ZINC000857984998 1136927354 /nfs/dbraw/zinc/92/73/54/1136927354.db2.gz FLNWWHBJMNLRMH-LLVKDONJSA-N 1 2 331.828 3.934 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@H]3CCn4c[nH+]cc43)cc2C1 ZINC000857990378 1136927783 /nfs/dbraw/zinc/92/77/83/1136927783.db2.gz OOKBPWINNOZSJN-KBPBESRZSA-N 1 2 343.496 3.970 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000857990459 1136927906 /nfs/dbraw/zinc/92/79/06/1136927906.db2.gz UXFZVTMEQDVNHU-SFHVURJKSA-N 1 2 334.423 3.508 20 0 EHADLO CC(F)(F)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819332218 1136931857 /nfs/dbraw/zinc/93/18/57/1136931857.db2.gz OJRFYNMTTGNCFG-NSHDSACASA-N 1 2 342.611 3.555 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000858031007 1136934010 /nfs/dbraw/zinc/93/40/10/1136934010.db2.gz DKXBLHHDJVMJRV-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000858031007 1136934011 /nfs/dbraw/zinc/93/40/11/1136934011.db2.gz DKXBLHHDJVMJRV-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO CCc1cc(C[NH2+]Cc2cc(C)c(F)cc2Br)on1 ZINC000858144242 1136943713 /nfs/dbraw/zinc/94/37/13/1136943713.db2.gz KJKHJQOYTOYAHV-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO Cc1cccc2c1CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000819875300 1136964629 /nfs/dbraw/zinc/96/46/29/1136964629.db2.gz AVOWMZZORGUOKI-FQEVSTJZSA-N 1 2 345.446 3.825 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000819901296 1136965693 /nfs/dbraw/zinc/96/56/93/1136965693.db2.gz YFPIIZUIPSGWGJ-KRWDZBQOSA-N 1 2 339.483 3.972 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000819901296 1136965694 /nfs/dbraw/zinc/96/56/94/1136965694.db2.gz YFPIIZUIPSGWGJ-KRWDZBQOSA-N 1 2 339.483 3.972 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000858419933 1136966098 /nfs/dbraw/zinc/96/60/98/1136966098.db2.gz HCDJTCXSRYULAC-WMLDXEAASA-N 1 2 341.455 3.974 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2ccns2)nnn1-c1ccc(C)cc1 ZINC000858577122 1136979955 /nfs/dbraw/zinc/97/99/55/1136979955.db2.gz HYMVPXSBLHYSCX-OLZOCXBDSA-N 1 2 327.457 3.752 20 0 EHADLO c1[nH+]cn2c1c(SC1CCC3(CC1)OCCO3)nc1ccccc12 ZINC000858617834 1136982803 /nfs/dbraw/zinc/98/28/03/1136982803.db2.gz MITVRMJVLNFGNA-UHFFFAOYSA-N 1 2 341.436 3.660 20 0 EHADLO CSc1ccc(/C=C/C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000858727287 1136989281 /nfs/dbraw/zinc/98/92/81/1136989281.db2.gz HYQHOLYKTSCWCE-DYLGSBMWSA-N 1 2 349.525 3.911 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000859235780 1137009221 /nfs/dbraw/zinc/00/92/21/1137009221.db2.gz WUZBJGWCAHKUKS-CYBMUJFWSA-N 1 2 347.768 3.570 20 0 EHADLO O=C1C[C@@]2(CCC[N@@H+](Cc3ccnc(Cl)c3)C2)Oc2ccccc21 ZINC000859580616 1137021001 /nfs/dbraw/zinc/02/10/01/1137021001.db2.gz UKKZNHAWWYUZSE-LJQANCHMSA-N 1 2 342.826 3.735 20 0 EHADLO O=C1C[C@@]2(CCC[N@H+](Cc3ccnc(Cl)c3)C2)Oc2ccccc21 ZINC000859580616 1137021003 /nfs/dbraw/zinc/02/10/03/1137021003.db2.gz UKKZNHAWWYUZSE-LJQANCHMSA-N 1 2 342.826 3.735 20 0 EHADLO COC(C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl)OC ZINC000859912240 1137036728 /nfs/dbraw/zinc/03/67/28/1137036728.db2.gz JJLJQLPPKVJXBG-ZDUSSCGKSA-N 1 2 348.668 3.858 20 0 EHADLO COC(C[N@H+]1CCC[C@H]1c1ccc(Br)cc1Cl)OC ZINC000859912240 1137036729 /nfs/dbraw/zinc/03/67/29/1137036729.db2.gz JJLJQLPPKVJXBG-ZDUSSCGKSA-N 1 2 348.668 3.858 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859955299 1137038525 /nfs/dbraw/zinc/03/85/25/1137038525.db2.gz UDWXKZBVKBQCAO-JHJVBQTASA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859955299 1137038527 /nfs/dbraw/zinc/03/85/27/1137038527.db2.gz UDWXKZBVKBQCAO-JHJVBQTASA-N 1 2 343.254 3.552 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001136504721 1137039497 /nfs/dbraw/zinc/03/94/97/1137039497.db2.gz MBJWYBAUEAFKSN-IYARVYRRSA-N 1 2 326.484 3.725 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873439 1137041407 /nfs/dbraw/zinc/04/14/07/1137041407.db2.gz YVCNDUKCGAMDLG-JLTOFOAXSA-N 1 2 338.426 3.765 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873439 1137041409 /nfs/dbraw/zinc/04/14/09/1137041409.db2.gz YVCNDUKCGAMDLG-JLTOFOAXSA-N 1 2 338.426 3.765 20 0 EHADLO Cc1ccc(NC(=O)N2CC3CC2(c2ccccc2)C3)c(N(C)C)[nH+]1 ZINC000822085843 1137049291 /nfs/dbraw/zinc/04/92/91/1137049291.db2.gz LTNJBIWBHPOHKK-UHFFFAOYSA-N 1 2 336.439 3.609 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@H](C)C(F)(F)F ZINC000860325753 1137055776 /nfs/dbraw/zinc/05/57/76/1137055776.db2.gz ZJMNOCXYZCIUAK-LBPRGKRZSA-N 1 2 326.318 3.812 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1C(F)F ZINC000822429558 1137059606 /nfs/dbraw/zinc/05/96/06/1137059606.db2.gz HQSXHNSNDQIFPW-UHFFFAOYSA-N 1 2 341.427 3.997 20 0 EHADLO Cc1ccc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)c2n1 ZINC001136601332 1137066834 /nfs/dbraw/zinc/06/68/34/1137066834.db2.gz SXACPAQBGZMVFH-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C(=C\c2ccccc2)OC)n1 ZINC000822701924 1137071059 /nfs/dbraw/zinc/07/10/59/1137071059.db2.gz KCNZMPXAIMJEFN-LFIBNONCSA-N 1 2 345.468 3.611 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCCCC2(F)F)n1 ZINC000822701864 1137071092 /nfs/dbraw/zinc/07/10/92/1137071092.db2.gz IDQGHEONVLHXKG-GFCCVEGCSA-N 1 2 331.432 3.749 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3ccncc3s2)n1 ZINC000822701948 1137071159 /nfs/dbraw/zinc/07/11/59/1137071159.db2.gz KOFMDCMXHWZYRX-UHFFFAOYSA-N 1 2 346.481 3.847 20 0 EHADLO Cc1cc(NC(=O)c2cncc(OC(C)C)c2)ccc1-n1cc[nH+]c1 ZINC001136624639 1137072848 /nfs/dbraw/zinc/07/28/48/1137072848.db2.gz CSKKIUAQKUDMDE-UHFFFAOYSA-N 1 2 336.395 3.615 20 0 EHADLO CCO[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000860750172 1137076546 /nfs/dbraw/zinc/07/65/46/1137076546.db2.gz ZOOLPNLPMGFLPG-GOSISDBHSA-N 1 2 342.439 3.853 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCn2c(Cl)ccc2[C@H]1C)n1cc[nH+]c1 ZINC000822974148 1137081594 /nfs/dbraw/zinc/08/15/94/1137081594.db2.gz YRFUVKZSLCKTLQ-HIFRSBDPSA-N 1 2 334.851 3.529 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1cnc(-c3ccccc3)n1)CCC2 ZINC000117864041 1137085171 /nfs/dbraw/zinc/08/51/71/1137085171.db2.gz KSNVPEFXHQCRDU-INIZCTEOSA-N 1 2 339.468 3.677 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cn1cnc(-c3ccccc3)n1)CCC2 ZINC000117864041 1137085172 /nfs/dbraw/zinc/08/51/72/1137085172.db2.gz KSNVPEFXHQCRDU-INIZCTEOSA-N 1 2 339.468 3.677 20 0 EHADLO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC001137661794 1137088398 /nfs/dbraw/zinc/08/83/98/1137088398.db2.gz ALSTURPPKWRRRV-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC001137661794 1137088400 /nfs/dbraw/zinc/08/84/00/1137088400.db2.gz ALSTURPPKWRRRV-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1nccc2occc21 ZINC000823214506 1137090871 /nfs/dbraw/zinc/09/08/71/1137090871.db2.gz BCYGWQXFRNDTBR-UHFFFAOYSA-N 1 2 342.424 3.523 20 0 EHADLO C/C(=C/C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccco1 ZINC000823215864 1137090919 /nfs/dbraw/zinc/09/09/19/1137090919.db2.gz QNBSIIDBQZMRAJ-RAXLEYEMSA-N 1 2 331.441 3.764 20 0 EHADLO C[C@H]1C[C@H](C[N@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823442047 1137099626 /nfs/dbraw/zinc/09/96/26/1137099626.db2.gz CNKDSYZNRYZABS-QWHCGFSZSA-N 1 2 332.435 3.752 20 0 EHADLO C[C@H]1C[C@H](C[N@@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823442047 1137099627 /nfs/dbraw/zinc/09/96/27/1137099627.db2.gz CNKDSYZNRYZABS-QWHCGFSZSA-N 1 2 332.435 3.752 20 0 EHADLO Cc1cccc(C2(O)CC[NH+](Cc3ccnc(Cl)c3F)CC2)c1C ZINC000823465307 1137100832 /nfs/dbraw/zinc/10/08/32/1137100832.db2.gz VJXQBRDKCNJREA-UHFFFAOYSA-N 1 2 348.849 3.975 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC000861352070 1137102382 /nfs/dbraw/zinc/10/23/82/1137102382.db2.gz XQBNHWAYUROLKQ-NSHDSACASA-N 1 2 337.345 3.517 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000118415243 1137116006 /nfs/dbraw/zinc/11/60/06/1137116006.db2.gz UIQUVEAENYZSTF-MNOVXSKESA-N 1 2 346.468 3.766 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000118415243 1137116008 /nfs/dbraw/zinc/11/60/08/1137116008.db2.gz UIQUVEAENYZSTF-MNOVXSKESA-N 1 2 346.468 3.766 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)[C@H]2C ZINC001171042137 1137122401 /nfs/dbraw/zinc/12/24/01/1137122401.db2.gz DVHLAJYBLAKYNY-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)[C@H]2C ZINC001171042137 1137122403 /nfs/dbraw/zinc/12/24/03/1137122403.db2.gz DVHLAJYBLAKYNY-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccccc2O1 ZINC001136821075 1137126109 /nfs/dbraw/zinc/12/61/09/1137126109.db2.gz PULHJTVTLAYPLM-WBVHZDCISA-N 1 2 347.418 3.746 20 0 EHADLO Cn1cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c(Br)n1 ZINC000862229509 1137133699 /nfs/dbraw/zinc/13/36/99/1137133699.db2.gz GFVSVMFHLGHZGU-MRXNPFEDSA-N 1 2 346.272 3.835 20 0 EHADLO Cn1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c(Br)n1 ZINC000862229509 1137133700 /nfs/dbraw/zinc/13/37/00/1137133700.db2.gz GFVSVMFHLGHZGU-MRXNPFEDSA-N 1 2 346.272 3.835 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1C ZINC000173452377 1137137814 /nfs/dbraw/zinc/13/78/14/1137137814.db2.gz WHASBKKKOOYURA-LBPRGKRZSA-N 1 2 334.407 3.886 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1C ZINC000173452377 1137137816 /nfs/dbraw/zinc/13/78/16/1137137816.db2.gz WHASBKKKOOYURA-LBPRGKRZSA-N 1 2 334.407 3.886 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H]2CCn3ccnc32)c(OCCC)c1 ZINC000824521038 1137141009 /nfs/dbraw/zinc/14/10/09/1137141009.db2.gz DYMADYAVCHELCB-QGZVFWFLSA-N 1 2 329.444 3.695 20 0 EHADLO Clc1sc(C[NH2+][C@@H]2CCn3ccnc32)cc1Br ZINC000824525702 1137141360 /nfs/dbraw/zinc/14/13/60/1137141360.db2.gz CJYXCFOBTZPZAX-SECBINFHSA-N 1 2 332.654 3.595 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@H]3CCn4ccnc43)c(C(C)(C)C)n2)cc1 ZINC000824526826 1137141472 /nfs/dbraw/zinc/14/14/72/1137141472.db2.gz PTBYQIPRYAISQR-SFHVURJKSA-N 1 2 349.482 3.909 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)ncc1Br ZINC000862402540 1137142738 /nfs/dbraw/zinc/14/27/38/1137142738.db2.gz ISWUOPVUMKBLHM-CYBMUJFWSA-N 1 2 331.204 3.774 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ncc1Br ZINC000862402540 1137142739 /nfs/dbraw/zinc/14/27/39/1137142739.db2.gz ISWUOPVUMKBLHM-CYBMUJFWSA-N 1 2 331.204 3.774 20 0 EHADLO c1oc(C2CC2)nc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000862527339 1137148085 /nfs/dbraw/zinc/14/80/85/1137148085.db2.gz NDGONOQBXIPMTA-UHFFFAOYSA-N 1 2 342.443 3.657 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000862541036 1137149128 /nfs/dbraw/zinc/14/91/28/1137149128.db2.gz LUBAMPJYEWFXJS-GFCCVEGCSA-N 1 2 327.494 3.612 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000862541036 1137149130 /nfs/dbraw/zinc/14/91/30/1137149130.db2.gz LUBAMPJYEWFXJS-GFCCVEGCSA-N 1 2 327.494 3.612 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063680 1137150249 /nfs/dbraw/zinc/15/02/49/1137150249.db2.gz OIJRTYCTQLGBJO-LBPRGKRZSA-N 1 2 330.255 3.782 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000824810138 1137153316 /nfs/dbraw/zinc/15/33/16/1137153316.db2.gz DUWJPCXSAXUSMS-UHFFFAOYSA-N 1 2 346.475 3.657 20 0 EHADLO Cc1cccn2c(CN3CCn4cc(-c5ccccc5)nc4C3)c[nH+]c12 ZINC001136966157 1137158676 /nfs/dbraw/zinc/15/86/76/1137158676.db2.gz QNPGXMHJFUOQST-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)n1cc[nH+]c1 ZINC000825015451 1137161997 /nfs/dbraw/zinc/16/19/97/1137161997.db2.gz PTJOTDHKPCQVJS-HAGHYFMRSA-N 1 2 337.467 3.732 20 0 EHADLO CCc1nc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)co1 ZINC000825049789 1137163316 /nfs/dbraw/zinc/16/33/16/1137163316.db2.gz CCYQGXVCYPDLEY-UHFFFAOYSA-N 1 2 344.846 3.983 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863249770 1137177606 /nfs/dbraw/zinc/17/76/06/1137177606.db2.gz MGAVITVHLLQUMA-SESVDKBCSA-N 1 2 343.430 3.748 20 0 EHADLO COc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1C(F)(F)F ZINC001143646224 1137186067 /nfs/dbraw/zinc/18/60/67/1137186067.db2.gz JUKVLTVZYXJNAV-NSHDSACASA-N 1 2 335.366 3.743 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863481370 1137188792 /nfs/dbraw/zinc/18/87/92/1137188792.db2.gz FMLCSVXENXFZGJ-DTQAZKPQSA-N 1 2 349.434 3.509 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C(C)(C)c3cccc(F)c3)no2)c1 ZINC000863672283 1137198599 /nfs/dbraw/zinc/19/85/99/1137198599.db2.gz HFEJAPQUGWJBDN-MRXNPFEDSA-N 1 2 341.386 3.591 20 0 EHADLO CCn1nccc1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000119589806 1137199287 /nfs/dbraw/zinc/19/92/87/1137199287.db2.gz TYJURMLOAJQWAH-SFHVURJKSA-N 1 2 326.831 3.831 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844131567 1137200147 /nfs/dbraw/zinc/20/01/47/1137200147.db2.gz QWVUIDYZRJTSJM-UYAOXDASSA-N 1 2 337.467 3.883 20 0 EHADLO Cc1cc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(C(C)C)[nH+]1 ZINC000844189883 1137202327 /nfs/dbraw/zinc/20/23/27/1137202327.db2.gz WZIVYIRFCUGYDN-UHFFFAOYSA-N 1 2 338.455 3.757 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4c(Cl)n3)[C@@H]2C1 ZINC000794560715 1137204162 /nfs/dbraw/zinc/20/41/62/1137204162.db2.gz NULBLMPZUAFNJZ-KBAYOESNSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc4ccccc4c(Cl)n3)[C@@H]2C1 ZINC000794560715 1137204164 /nfs/dbraw/zinc/20/41/64/1137204164.db2.gz NULBLMPZUAFNJZ-KBAYOESNSA-N 1 2 346.858 3.657 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)c1F ZINC001143833139 1137204259 /nfs/dbraw/zinc/20/42/59/1137204259.db2.gz VMVMOUNRWBXCOR-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@H](CC(=O)OC)C2)c1F ZINC001143833139 1137204260 /nfs/dbraw/zinc/20/42/60/1137204260.db2.gz VMVMOUNRWBXCOR-GFCCVEGCSA-N 1 2 343.826 3.653 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794567114 1137204428 /nfs/dbraw/zinc/20/44/28/1137204428.db2.gz PEDNSUUORHOBPK-LBPRGKRZSA-N 1 2 333.863 3.623 20 0 EHADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794567114 1137204430 /nfs/dbraw/zinc/20/44/30/1137204430.db2.gz PEDNSUUORHOBPK-LBPRGKRZSA-N 1 2 333.863 3.623 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000863899533 1137206440 /nfs/dbraw/zinc/20/64/40/1137206440.db2.gz MGJISQYMFPNNSZ-GUDVDZBRSA-N 1 2 349.434 3.754 20 0 EHADLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@@H]21 ZINC001143867722 1137206829 /nfs/dbraw/zinc/20/68/29/1137206829.db2.gz HVCYXVAZWSKOHT-YGRLFVJLSA-N 1 2 345.245 3.575 20 0 EHADLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@@H]21 ZINC001143867722 1137206831 /nfs/dbraw/zinc/20/68/31/1137206831.db2.gz HVCYXVAZWSKOHT-YGRLFVJLSA-N 1 2 345.245 3.575 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(F)c1F ZINC001143910631 1137213950 /nfs/dbraw/zinc/21/39/50/1137213950.db2.gz KUYMSLMPGOZYOG-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c(F)c1F ZINC001143910631 1137213951 /nfs/dbraw/zinc/21/39/51/1137213951.db2.gz KUYMSLMPGOZYOG-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1ccc(F)cc1OC(F)F)n1cc[nH+]c1 ZINC000844414374 1137219154 /nfs/dbraw/zinc/21/91/54/1137219154.db2.gz GLCNMYUJOIGQEU-GHMZBOCLSA-N 1 2 342.317 3.879 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C)n1cc[nH+]c1 ZINC000844417793 1137219205 /nfs/dbraw/zinc/21/92/05/1137219205.db2.gz PJSWECHJUVWSDG-RYUDHWBXSA-N 1 2 346.818 3.679 20 0 EHADLO CCn1cc(C[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C(C)C)cn1 ZINC000844418861 1137219302 /nfs/dbraw/zinc/21/93/02/1137219302.db2.gz WSRPXLRKCJPSAU-UHFFFAOYSA-N 1 2 343.406 3.503 20 0 EHADLO CCn1cc(C[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C(C)C)cn1 ZINC000844418861 1137219304 /nfs/dbraw/zinc/21/93/04/1137219304.db2.gz WSRPXLRKCJPSAU-UHFFFAOYSA-N 1 2 343.406 3.503 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)n1cc[nH+]c1 ZINC000844422402 1137219650 /nfs/dbraw/zinc/21/96/50/1137219650.db2.gz OUFPEHOSAHDJGP-NEPJUHHUSA-N 1 2 341.333 3.610 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)o1 ZINC000844409851 1137220701 /nfs/dbraw/zinc/22/07/01/1137220701.db2.gz LZKLCOKHRVZNQW-UKRRQHHQSA-N 1 2 344.459 3.759 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@H](C)[C@H](C)C3)c2=S)cc1 ZINC000794639222 1137220770 /nfs/dbraw/zinc/22/07/70/1137220770.db2.gz IYAMOCUCBMUTPF-UONOGXRCSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@H](C)[C@H](C)C3)c2=S)cc1 ZINC000794639222 1137220771 /nfs/dbraw/zinc/22/07/71/1137220771.db2.gz IYAMOCUCBMUTPF-UONOGXRCSA-N 1 2 346.500 3.656 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000844458051 1137221683 /nfs/dbraw/zinc/22/16/83/1137221683.db2.gz HMZNBGAHRFRZKQ-RYUDHWBXSA-N 1 2 337.217 3.901 20 0 EHADLO COc1ccc(-n2c(C)nn(C[NH+]3CCC(C)(C)CC3)c2=S)cc1 ZINC000794628007 1137221934 /nfs/dbraw/zinc/22/19/34/1137221934.db2.gz WILCOIAUDRVZCJ-UHFFFAOYSA-N 1 2 346.500 3.800 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)[C@H](C)C3(C)CC3)c2=S)cc1 ZINC000794633253 1137222004 /nfs/dbraw/zinc/22/20/04/1137222004.db2.gz UYTIXOGHWYWXHR-CYBMUJFWSA-N 1 2 346.500 3.798 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)[C@H](C)C3(C)CC3)c2=S)cc1 ZINC000794633253 1137222006 /nfs/dbraw/zinc/22/20/06/1137222006.db2.gz UYTIXOGHWYWXHR-CYBMUJFWSA-N 1 2 346.500 3.798 20 0 EHADLO C[N@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)[C@H]1CCC(C)(C)C1 ZINC000794685557 1137226439 /nfs/dbraw/zinc/22/64/39/1137226439.db2.gz KWUDYHLGVCDXQR-LBPRGKRZSA-N 1 2 343.393 3.608 20 0 EHADLO C[N@@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)[C@H]1CCC(C)(C)C1 ZINC000794685557 1137226440 /nfs/dbraw/zinc/22/64/40/1137226440.db2.gz KWUDYHLGVCDXQR-LBPRGKRZSA-N 1 2 343.393 3.608 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(OC(F)(F)F)c1 ZINC001144045939 1137231391 /nfs/dbraw/zinc/23/13/91/1137231391.db2.gz MGHFSZXNURSNIJ-LRDDRELGSA-N 1 2 345.361 3.595 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(OC(F)(F)F)c1 ZINC001144045939 1137231393 /nfs/dbraw/zinc/23/13/93/1137231393.db2.gz MGHFSZXNURSNIJ-LRDDRELGSA-N 1 2 345.361 3.595 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000794704212 1137236030 /nfs/dbraw/zinc/23/60/30/1137236030.db2.gz DJZWIFKQAUGTQT-AWEZNQCLSA-N 1 2 332.473 3.983 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000794704212 1137236031 /nfs/dbraw/zinc/23/60/31/1137236031.db2.gz DJZWIFKQAUGTQT-AWEZNQCLSA-N 1 2 332.473 3.983 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147147 1137245936 /nfs/dbraw/zinc/24/59/36/1137245936.db2.gz CQUSGBCWDQIPIA-SWLSCSKDSA-N 1 2 330.255 3.782 20 0 EHADLO FC1(F)C(F)(F)C12CC[NH+](Cn1ccc(-c3ccsc3)n1)CC2 ZINC000844720636 1137247858 /nfs/dbraw/zinc/24/78/58/1137247858.db2.gz MXQBQEIEURQFKR-UHFFFAOYSA-N 1 2 345.365 3.936 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC3(CC3(F)F)CC2)C1 ZINC000844730620 1137250999 /nfs/dbraw/zinc/25/09/99/1137250999.db2.gz YTUBGARORMBLBZ-LBPRGKRZSA-N 1 2 342.455 3.503 20 0 EHADLO CCO[C@@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)C1CCCC1 ZINC000864975995 1137255955 /nfs/dbraw/zinc/25/59/55/1137255955.db2.gz BSHSXAONDOITLW-OAHLLOKOSA-N 1 2 339.505 3.519 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/CCc2ccccc2)c1C ZINC000865051020 1137260607 /nfs/dbraw/zinc/26/06/07/1137260607.db2.gz HFRDRGMYTONDNP-UKTHLTGXSA-N 1 2 338.451 3.854 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865140227 1137264642 /nfs/dbraw/zinc/26/46/42/1137264642.db2.gz DRSWHCMELPXCBA-SFHVURJKSA-N 1 2 333.435 3.902 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158722 1137265809 /nfs/dbraw/zinc/26/58/09/1137265809.db2.gz MMDBVNPMKFACGP-FPOVZHCZSA-N 1 2 339.483 3.952 20 0 EHADLO CC(C)(CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000865158409 1137265999 /nfs/dbraw/zinc/26/59/99/1137265999.db2.gz KGQXKDFOCYZKTI-QGZVFWFLSA-N 1 2 329.419 3.554 20 0 EHADLO COc1ccc(OC)c2sc(NCc3c[nH+]cn3C(C)C)nc21 ZINC000865296131 1137275514 /nfs/dbraw/zinc/27/55/14/1137275514.db2.gz RGEOVTKFEJZWML-UHFFFAOYSA-N 1 2 332.429 3.703 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCc3ccccc3C2)n1 ZINC000845265539 1137282760 /nfs/dbraw/zinc/28/27/60/1137282760.db2.gz BKUQABFLAOPMIX-MRXNPFEDSA-N 1 2 343.496 3.729 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000865466683 1137286267 /nfs/dbraw/zinc/28/62/67/1137286267.db2.gz ABIQUJSGXMRJGO-KRWDZBQOSA-N 1 2 335.394 3.965 20 0 EHADLO CC(C)(C)c1ccc2c(c1)CCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845363986 1137288327 /nfs/dbraw/zinc/28/83/27/1137288327.db2.gz KZBHYONAVPXXGJ-UHFFFAOYSA-N 1 2 337.467 3.649 20 0 EHADLO C[C@H](Cc1ccc(Cl)s1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845495736 1137295041 /nfs/dbraw/zinc/29/50/41/1137295041.db2.gz QQTQUSACEMVOTQ-LLVKDONJSA-N 1 2 338.860 3.651 20 0 EHADLO C[C@@H](CC(=O)OCc1ccccc1N1CCCCC1)n1cc[nH+]c1 ZINC000845500187 1137295445 /nfs/dbraw/zinc/29/54/45/1137295445.db2.gz VKBZTIBZJOEHNA-INIZCTEOSA-N 1 2 327.428 3.568 20 0 EHADLO CCOc1cccc([C@@H](CC)OC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845481803 1137296049 /nfs/dbraw/zinc/29/60/49/1137296049.db2.gz FCRWITTYWAEJLQ-GOSISDBHSA-N 1 2 342.439 3.855 20 0 EHADLO CC(C)COc1cccc(CCOC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000845565869 1137298009 /nfs/dbraw/zinc/29/80/09/1137298009.db2.gz WPFVUBUOBOCDIU-MRXNPFEDSA-N 1 2 330.428 3.655 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1F ZINC000865616354 1137298931 /nfs/dbraw/zinc/29/89/31/1137298931.db2.gz GGYSLFFZBTVBHA-QLJPJBMISA-N 1 2 343.320 3.778 20 0 EHADLO CC(C)(C)OC(=O)N[C@H](CNc1cc2cc[nH]c2c[nH+]1)CC(F)F ZINC000865618129 1137299367 /nfs/dbraw/zinc/29/93/67/1137299367.db2.gz SQNMNOBLGSLMFD-NSHDSACASA-N 1 2 340.374 3.523 20 0 EHADLO COc1c(OC(=O)Cc2cn3c([nH+]2)CCCC3)ccc2ccccc21 ZINC000845584917 1137299869 /nfs/dbraw/zinc/29/98/69/1137299869.db2.gz VYLYKUYNJKQNKC-UHFFFAOYSA-N 1 2 336.391 3.529 20 0 EHADLO Cc1noc(C)c1[C@H](C)CNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865634918 1137300522 /nfs/dbraw/zinc/30/05/22/1137300522.db2.gz LEXOFAVEGSBNKX-CYBMUJFWSA-N 1 2 337.427 3.909 20 0 EHADLO Cc1noc(C)c1[C@H](C)CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865634918 1137300524 /nfs/dbraw/zinc/30/05/24/1137300524.db2.gz LEXOFAVEGSBNKX-CYBMUJFWSA-N 1 2 337.427 3.909 20 0 EHADLO CN(c1ccc(Nc2ccc(F)cc2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212614878 1137301277 /nfs/dbraw/zinc/30/12/77/1137301277.db2.gz ZSGHUNDUXGIQGX-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(F)cc1Br ZINC001144583644 1137312832 /nfs/dbraw/zinc/31/28/32/1137312832.db2.gz JFKSTMPDGFEHAI-MLGOLLRUSA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(F)cc1Br ZINC001144583644 1137312834 /nfs/dbraw/zinc/31/28/34/1137312834.db2.gz JFKSTMPDGFEHAI-MLGOLLRUSA-N 1 2 342.252 3.898 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2noc3cc(F)ccc23)c1 ZINC000865836459 1137315405 /nfs/dbraw/zinc/31/54/05/1137315405.db2.gz GVQRPCUNXAGAPV-UHFFFAOYSA-N 1 2 348.349 3.687 20 0 EHADLO C[N@H+](Cc1ncn2ccccc12)Cc1cccc(OC(F)(F)F)c1 ZINC001144627791 1137320447 /nfs/dbraw/zinc/32/04/47/1137320447.db2.gz WOLKMUVDADXRGH-UHFFFAOYSA-N 1 2 335.329 3.865 20 0 EHADLO C[N@@H+](Cc1ncn2ccccc12)Cc1cccc(OC(F)(F)F)c1 ZINC001144627791 1137320449 /nfs/dbraw/zinc/32/04/49/1137320449.db2.gz WOLKMUVDADXRGH-UHFFFAOYSA-N 1 2 335.329 3.865 20 0 EHADLO COCc1cc[nH+]c(NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000846116698 1137333751 /nfs/dbraw/zinc/33/37/51/1137333751.db2.gz GDTIIDCXQXNVGC-UHFFFAOYSA-N 1 2 349.475 3.677 20 0 EHADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000866237298 1137337544 /nfs/dbraw/zinc/33/75/44/1137337544.db2.gz IZJAKRQRMLWAIW-XLIONFOSSA-N 1 2 341.430 3.633 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001144744932 1137341932 /nfs/dbraw/zinc/34/19/32/1137341932.db2.gz IFDOIRJKMSTNJK-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001144744932 1137341933 /nfs/dbraw/zinc/34/19/33/1137341933.db2.gz IFDOIRJKMSTNJK-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2nnc[nH]2)cc1 ZINC000846216188 1137342021 /nfs/dbraw/zinc/34/20/21/1137342021.db2.gz QVNANIGIIQGUSG-WCQYABFASA-N 1 2 343.233 3.597 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(-n2cccn2)cc1 ZINC000866276966 1137342220 /nfs/dbraw/zinc/34/22/20/1137342220.db2.gz YCABSOISKRBMGY-ADLFWFRXSA-N 1 2 337.398 3.995 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ncc[nH]1 ZINC000846210445 1137343272 /nfs/dbraw/zinc/34/32/72/1137343272.db2.gz YEDIZYPPUJMGKT-VBNZEHGJSA-N 1 2 327.428 3.631 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000846211410 1137343574 /nfs/dbraw/zinc/34/35/74/1137343574.db2.gz FQFUMVSIJQTASS-CVEARBPZSA-N 1 2 349.475 3.866 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc2n(n1)CCCC2 ZINC000866540604 1137363219 /nfs/dbraw/zinc/36/32/19/1137363219.db2.gz AJHUXZRHWOAHIF-LLVKDONJSA-N 1 2 339.361 3.811 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nn(C)cc2C(F)F)C2CC2)c(F)c1 ZINC000866567986 1137365512 /nfs/dbraw/zinc/36/55/12/1137365512.db2.gz ONQBLBVYVUHOES-MRXNPFEDSA-N 1 2 339.361 3.746 20 0 EHADLO CN(c1ccc(Nc2ccc(C(N)=O)c(F)c2)c[nH+]1)C1CCCCC1 ZINC001212615059 1137375378 /nfs/dbraw/zinc/37/53/78/1137375378.db2.gz FMLIZJGCHBKBHQ-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)CCC3CCOCC3)c(=S)o2)cc1 ZINC000121229137 1137377001 /nfs/dbraw/zinc/37/70/01/1137377001.db2.gz MZDWMBDREOWOMX-UHFFFAOYSA-N 1 2 347.484 3.887 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)CCC3CCOCC3)c(=S)o2)cc1 ZINC000121229137 1137377003 /nfs/dbraw/zinc/37/70/03/1137377003.db2.gz MZDWMBDREOWOMX-UHFFFAOYSA-N 1 2 347.484 3.887 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nc(-c2ccccc2)no1)OCC ZINC000846969901 1137379971 /nfs/dbraw/zinc/37/99/71/1137379971.db2.gz OTTRSCOBELMLJD-AWEZNQCLSA-N 1 2 333.432 3.519 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nc(-c2ccccc2)no1)OCC ZINC000846969901 1137379972 /nfs/dbraw/zinc/37/99/72/1137379972.db2.gz OTTRSCOBELMLJD-AWEZNQCLSA-N 1 2 333.432 3.519 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1Cl ZINC001147563415 1137410110 /nfs/dbraw/zinc/41/01/10/1137410110.db2.gz CRUWZSUKIGDPNB-VYDXJSESSA-N 1 2 334.891 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1Cl ZINC001147563415 1137410112 /nfs/dbraw/zinc/41/01/12/1137410112.db2.gz CRUWZSUKIGDPNB-VYDXJSESSA-N 1 2 334.891 3.714 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001147814060 1137412486 /nfs/dbraw/zinc/41/24/86/1137412486.db2.gz DGPATVBXZLLKKL-SFHVURJKSA-N 1 2 327.472 3.844 20 0 EHADLO CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001148024511 1137416640 /nfs/dbraw/zinc/41/66/40/1137416640.db2.gz XUKRZMDWMJFYEK-UHFFFAOYSA-N 1 2 325.456 3.842 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001148580650 1137429075 /nfs/dbraw/zinc/42/90/75/1137429075.db2.gz LNFXKJGSLTXGHZ-YLJYHZDGSA-N 1 2 339.483 3.901 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001148633611 1137430354 /nfs/dbraw/zinc/43/03/54/1137430354.db2.gz CCRVLUGDIIOZFE-JOCHJYFZSA-N 1 2 346.474 3.621 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001148633611 1137430355 /nfs/dbraw/zinc/43/03/55/1137430355.db2.gz CCRVLUGDIIOZFE-JOCHJYFZSA-N 1 2 346.474 3.621 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104436 1137437047 /nfs/dbraw/zinc/43/70/47/1137437047.db2.gz HWQFHMFIYFFAIH-CZUORRHYSA-N 1 2 329.469 3.637 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104436 1137437049 /nfs/dbraw/zinc/43/70/49/1137437049.db2.gz HWQFHMFIYFFAIH-CZUORRHYSA-N 1 2 329.469 3.637 20 0 EHADLO COc1ccc(Cl)c(NC(=S)NCc2c[nH+]c(C)cc2C)c1 ZINC000840827009 1137439530 /nfs/dbraw/zinc/43/95/30/1137439530.db2.gz ZDNZRUBXIXBEGK-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(C2CCCCC2)[nH]n1 ZINC001149033802 1137439812 /nfs/dbraw/zinc/43/98/12/1137439812.db2.gz KAYANAIGYQXFKA-UHFFFAOYSA-N 1 2 349.438 3.824 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000348103425 1137440913 /nfs/dbraw/zinc/44/09/13/1137440913.db2.gz BPNRYWMUTCNXCV-GOSISDBHSA-N 1 2 328.481 3.913 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)c(C)[nH]1 ZINC000348103425 1137440914 /nfs/dbraw/zinc/44/09/14/1137440914.db2.gz BPNRYWMUTCNXCV-GOSISDBHSA-N 1 2 328.481 3.913 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000282792693 1137451841 /nfs/dbraw/zinc/45/18/41/1137451841.db2.gz WPGGBLJOGFQCQG-UHFFFAOYSA-N 1 2 326.416 3.638 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000773000651 1137457877 /nfs/dbraw/zinc/45/78/77/1137457877.db2.gz YBNBUYOMDUSHFT-OAHLLOKOSA-N 1 2 340.448 3.947 20 0 EHADLO COC(=[NH2+])c1cccc(NCc2ccccc2OC2CCOCC2)c1 ZINC001171385591 1137466730 /nfs/dbraw/zinc/46/67/30/1137466730.db2.gz SRVUHEALKZCQFS-UHFFFAOYSA-N 1 2 340.423 3.828 20 0 EHADLO Cc1nc(Cl)sc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870124576 1137477932 /nfs/dbraw/zinc/47/79/32/1137477932.db2.gz PFQCQXOVGSNVLO-ZDUSSCGKSA-N 1 2 349.887 3.624 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)CCc1ccccc1C(F)(F)F ZINC000870304708 1137487063 /nfs/dbraw/zinc/48/70/63/1137487063.db2.gz XYTGBSGTOOUKSF-UHFFFAOYSA-N 1 2 340.345 3.548 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323981 1137489699 /nfs/dbraw/zinc/48/96/99/1137489699.db2.gz DTXFCZIDCCWXRA-GXDHUFHOSA-N 1 2 326.371 3.726 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323981 1137489700 /nfs/dbraw/zinc/48/97/00/1137489700.db2.gz DTXFCZIDCCWXRA-GXDHUFHOSA-N 1 2 326.371 3.726 20 0 EHADLO CC1=CC[N@H+](CN2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000773323350 1137489719 /nfs/dbraw/zinc/48/97/19/1137489719.db2.gz WJUUQGOIEYSYEO-UHFFFAOYSA-N 1 2 339.361 3.557 20 0 EHADLO CC1=CC[N@@H+](CN2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000773323350 1137489720 /nfs/dbraw/zinc/48/97/20/1137489720.db2.gz WJUUQGOIEYSYEO-UHFFFAOYSA-N 1 2 339.361 3.557 20 0 EHADLO CCCc1cc(NC2CCN(c3cccnc3)CC2)nc(CCC)[nH+]1 ZINC001171468520 1137492567 /nfs/dbraw/zinc/49/25/67/1137492567.db2.gz DSJMYEBVZWFJMZ-UHFFFAOYSA-N 1 2 339.487 3.858 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171656285 1137502079 /nfs/dbraw/zinc/50/20/79/1137502079.db2.gz YZTGWRHNRZVZPV-FXAWDEMLSA-N 1 2 325.452 3.690 20 0 EHADLO Cc1ccc(Br)c(COC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000870645577 1137503402 /nfs/dbraw/zinc/50/34/02/1137503402.db2.gz JNFKTDUGYDWJMK-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO CSc1c(F)cc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1F ZINC000870744502 1137508898 /nfs/dbraw/zinc/50/88/98/1137508898.db2.gz QTZPSLSSYAZZKU-JTQLQIEISA-N 1 2 326.368 3.578 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001171778824 1137510307 /nfs/dbraw/zinc/51/03/07/1137510307.db2.gz PZAWUJHJIOPJHU-INIZCTEOSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001171778824 1137510308 /nfs/dbraw/zinc/51/03/08/1137510308.db2.gz PZAWUJHJIOPJHU-INIZCTEOSA-N 1 2 330.428 3.740 20 0 EHADLO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2occc2C)cc1)C(C)C ZINC000795160032 1137522021 /nfs/dbraw/zinc/52/20/21/1137522021.db2.gz CMYZFWZKRAPWML-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2occc2C)cc1)C(C)C ZINC000795160032 1137522023 /nfs/dbraw/zinc/52/20/23/1137522023.db2.gz CMYZFWZKRAPWML-UHFFFAOYSA-N 1 2 343.471 3.893 20 0 EHADLO Cc1cc(N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)nc(C2CC2)[nH+]1 ZINC000872648514 1137582323 /nfs/dbraw/zinc/58/23/23/1137582323.db2.gz LVANRRBYGCLLOA-OAHLLOKOSA-N 1 2 325.460 3.893 20 0 EHADLO Cc1cc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)nc(C2CC2)[nH+]1 ZINC000872648514 1137582324 /nfs/dbraw/zinc/58/23/24/1137582324.db2.gz LVANRRBYGCLLOA-OAHLLOKOSA-N 1 2 325.460 3.893 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(Br)c3ccccc3n2C)on1 ZINC000873058926 1137589167 /nfs/dbraw/zinc/58/91/67/1137589167.db2.gz LSADCRCMODVDIW-UHFFFAOYSA-N 1 2 348.244 3.781 20 0 EHADLO CC(C)Cn1nccc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873176033 1137592583 /nfs/dbraw/zinc/59/25/83/1137592583.db2.gz AQFUPJCEDWICOU-UHFFFAOYSA-N 1 2 346.381 3.762 20 0 EHADLO Cc1ccc2c(c1)CCCN2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000873900335 1137607973 /nfs/dbraw/zinc/60/79/73/1137607973.db2.gz XFCGWMPHWXBPIL-OAHLLOKOSA-N 1 2 337.345 3.664 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1C ZINC000874147443 1137610987 /nfs/dbraw/zinc/61/09/87/1137610987.db2.gz SWYPTQPJMZWJFJ-CYBMUJFWSA-N 1 2 346.500 3.757 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1C ZINC000874147443 1137610988 /nfs/dbraw/zinc/61/09/88/1137610988.db2.gz SWYPTQPJMZWJFJ-CYBMUJFWSA-N 1 2 346.500 3.757 20 0 EHADLO C[C@@H](CC(=O)N(C)C1(Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000874711216 1137621600 /nfs/dbraw/zinc/62/16/00/1137621600.db2.gz IBERQGZDEREJAP-KRWDZBQOSA-N 1 2 325.456 3.848 20 0 EHADLO CSCCCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889374 1137625625 /nfs/dbraw/zinc/62/56/25/1137625625.db2.gz VFGMGZJYTUOXDC-QGZVFWFLSA-N 1 2 338.492 3.612 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)cnc2F)c(OC)c1 ZINC000876550207 1137655283 /nfs/dbraw/zinc/65/52/83/1137655283.db2.gz SMTMVRBPNHBVKQ-KRWDZBQOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)cnc2F)c(OC)c1 ZINC000876550207 1137655284 /nfs/dbraw/zinc/65/52/84/1137655284.db2.gz SMTMVRBPNHBVKQ-KRWDZBQOSA-N 1 2 346.402 3.584 20 0 EHADLO CCCn1cc(C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000876592495 1137656443 /nfs/dbraw/zinc/65/64/43/1137656443.db2.gz QIUXFUZQYGUAKT-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000876592495 1137656444 /nfs/dbraw/zinc/65/64/44/1137656444.db2.gz QIUXFUZQYGUAKT-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2Br)n1 ZINC000876739153 1137660016 /nfs/dbraw/zinc/66/00/16/1137660016.db2.gz GAYOQSGUAINDQK-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccnc2Br)n1 ZINC000876739153 1137660017 /nfs/dbraw/zinc/66/00/17/1137660017.db2.gz GAYOQSGUAINDQK-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000876811420 1137662217 /nfs/dbraw/zinc/66/22/17/1137662217.db2.gz KHWMBEGSTSPIGA-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000876811420 1137662218 /nfs/dbraw/zinc/66/22/18/1137662218.db2.gz KHWMBEGSTSPIGA-QWRGUYRKSA-N 1 2 345.896 3.532 20 0 EHADLO CO[C@H](CNc1ccc([NH+]2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876822507 1137662794 /nfs/dbraw/zinc/66/27/94/1137662794.db2.gz ZMFQCWKLZZBSRE-HXUWFJFHSA-N 1 2 332.488 3.655 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C)c(C(=O)NC(C)C)c2)c1C ZINC000876860813 1137663997 /nfs/dbraw/zinc/66/39/97/1137663997.db2.gz KJCHCEHETCZMMF-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000126270195 1137666497 /nfs/dbraw/zinc/66/64/97/1137666497.db2.gz JBMFLPPTPNSWGJ-LLVKDONJSA-N 1 2 344.406 3.888 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1ccc(C(F)(F)F)n1)CCC2 ZINC000126270195 1137666496 /nfs/dbraw/zinc/66/64/96/1137666496.db2.gz JBMFLPPTPNSWGJ-LLVKDONJSA-N 1 2 344.406 3.888 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C(=O)NC(C)C)c(C)c2)c1C ZINC000877170352 1137672228 /nfs/dbraw/zinc/67/22/28/1137672228.db2.gz MRZUEQOSFQIRHZ-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO Cc1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1N1CCCC1 ZINC000877455512 1137676839 /nfs/dbraw/zinc/67/68/39/1137676839.db2.gz LEALWGJWMQFSJY-GOSISDBHSA-N 1 2 345.393 3.512 20 0 EHADLO Clc1ccc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)nn1 ZINC000877597750 1137682586 /nfs/dbraw/zinc/68/25/86/1137682586.db2.gz XJQOISQMQPOKDK-UHFFFAOYSA-N 1 2 348.903 3.845 20 0 EHADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(C)c(Br)c2C)n1 ZINC000877619171 1137683374 /nfs/dbraw/zinc/68/33/74/1137683374.db2.gz QOACEUMQWPHVPJ-NSHDSACASA-N 1 2 338.249 3.950 20 0 EHADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(C)c(Br)c2C)n1 ZINC000877619171 1137683375 /nfs/dbraw/zinc/68/33/75/1137683375.db2.gz QOACEUMQWPHVPJ-NSHDSACASA-N 1 2 338.249 3.950 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nc(Cl)cs3)C2)cc1F ZINC000877661003 1137684667 /nfs/dbraw/zinc/68/46/67/1137684667.db2.gz VFPHUIHITMZSDW-NSHDSACASA-N 1 2 326.824 3.934 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nc(Cl)cs3)C2)cc1F ZINC000877661003 1137684668 /nfs/dbraw/zinc/68/46/68/1137684668.db2.gz VFPHUIHITMZSDW-NSHDSACASA-N 1 2 326.824 3.934 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C)c(Cl)n1 ZINC000877912766 1137695452 /nfs/dbraw/zinc/69/54/52/1137695452.db2.gz HAJFCHQLEPCJMB-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C)c(Cl)n1 ZINC000877912766 1137695453 /nfs/dbraw/zinc/69/54/53/1137695453.db2.gz HAJFCHQLEPCJMB-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)Cc1cnc(C)s1 ZINC000877973398 1137697748 /nfs/dbraw/zinc/69/77/48/1137697748.db2.gz YVSXXCBOJQSXSY-QGZVFWFLSA-N 1 2 331.485 3.633 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)Cc1cnc(C)s1 ZINC000877973398 1137697749 /nfs/dbraw/zinc/69/77/49/1137697749.db2.gz YVSXXCBOJQSXSY-QGZVFWFLSA-N 1 2 331.485 3.633 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)cc1 ZINC000878112843 1137702967 /nfs/dbraw/zinc/70/29/67/1137702967.db2.gz WPNLOZJDHHPRNU-UHFFFAOYSA-N 1 2 326.440 3.905 20 0 EHADLO CC[N@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@@H](C)c1cccc(O)c1 ZINC000878167619 1137705483 /nfs/dbraw/zinc/70/54/83/1137705483.db2.gz HIWPXPAYRPOHKJ-ZDUSSCGKSA-N 1 2 339.395 3.731 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@@H](C)c1cccc(O)c1 ZINC000878167619 1137705484 /nfs/dbraw/zinc/70/54/84/1137705484.db2.gz HIWPXPAYRPOHKJ-ZDUSSCGKSA-N 1 2 339.395 3.731 20 0 EHADLO FC(F)Cn1ccnc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000878235623 1137708097 /nfs/dbraw/zinc/70/80/97/1137708097.db2.gz SCBLEXCQUALXQR-UHFFFAOYSA-N 1 2 345.315 3.946 20 0 EHADLO Cc1conc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000878233980 1137708138 /nfs/dbraw/zinc/70/81/38/1137708138.db2.gz ZBGQXMTXFAGDFE-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO Cc1conc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000878233980 1137708139 /nfs/dbraw/zinc/70/81/39/1137708139.db2.gz ZBGQXMTXFAGDFE-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO CC(C)([NH2+]Cc1noc2c1CC(C)(C)CC2)C(=O)Nc1ccccc1 ZINC000878268117 1137709130 /nfs/dbraw/zinc/70/91/30/1137709130.db2.gz SLLOXLDEFCHOEJ-UHFFFAOYSA-N 1 2 341.455 3.696 20 0 EHADLO C[N@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)[C@@H]1CCSC1 ZINC000878304596 1137710354 /nfs/dbraw/zinc/71/03/54/1137710354.db2.gz OVFGNWGRVGBQNK-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)[C@@H]1CCSC1 ZINC000878304596 1137710355 /nfs/dbraw/zinc/71/03/55/1137710355.db2.gz OVFGNWGRVGBQNK-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C=C/C=C/CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300439 1137710457 /nfs/dbraw/zinc/71/04/57/1137710457.db2.gz DUWQXOAMTYMSQU-WZDWLKHJSA-N 1 2 343.471 3.550 20 0 EHADLO C=C/C=C/CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300439 1137710458 /nfs/dbraw/zinc/71/04/58/1137710458.db2.gz DUWQXOAMTYMSQU-WZDWLKHJSA-N 1 2 343.471 3.550 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3ccccc3O)o2)Cc2ccccc21 ZINC000878307232 1137710519 /nfs/dbraw/zinc/71/05/19/1137710519.db2.gz LONDVWALRBHRMH-UHFFFAOYSA-N 1 2 335.407 3.736 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccccc3O)o2)Cc2ccccc21 ZINC000878307232 1137710520 /nfs/dbraw/zinc/71/05/20/1137710520.db2.gz LONDVWALRBHRMH-UHFFFAOYSA-N 1 2 335.407 3.736 20 0 EHADLO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc([S@@](C)=O)cc1 ZINC000878376160 1137713417 /nfs/dbraw/zinc/71/34/17/1137713417.db2.gz NCQKQVLSWXCYDT-YEBMWUKDSA-N 1 2 346.496 3.778 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nocc1C ZINC000878493227 1137717696 /nfs/dbraw/zinc/71/76/96/1137717696.db2.gz XHSTZIQLMKGRHI-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524820 1137718744 /nfs/dbraw/zinc/71/87/44/1137718744.db2.gz SEFRKGGOWOGYMX-GJZGRUSLSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878524820 1137718745 /nfs/dbraw/zinc/71/87/45/1137718745.db2.gz SEFRKGGOWOGYMX-GJZGRUSLSA-N 1 2 326.227 3.587 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1scnc1Cl)c1cccc(F)c1 ZINC000878609560 1137722133 /nfs/dbraw/zinc/72/21/33/1137722133.db2.gz DZUJRPNEHOYHBF-HNNXBMFYSA-N 1 2 342.823 3.504 20 0 EHADLO O=C(NCCCCC1CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000878664166 1137724229 /nfs/dbraw/zinc/72/42/29/1137724229.db2.gz ZCQSYJXFHSFLJA-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO Cc1ccc(NC(=O)N2CCC3(CCSCC3)CC2)c(N(C)C)[nH+]1 ZINC000879002248 1137734881 /nfs/dbraw/zinc/73/48/81/1137734881.db2.gz SJCCTAPZMHCGLD-UHFFFAOYSA-N 1 2 348.516 3.597 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)s2)c(C)c[nH+]1 ZINC000879075461 1137737127 /nfs/dbraw/zinc/73/71/27/1137737127.db2.gz LBQUDUCNJPTDRW-UHFFFAOYSA-N 1 2 329.347 3.522 20 0 EHADLO C/C(=C\C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000209804809 1137739482 /nfs/dbraw/zinc/73/94/82/1137739482.db2.gz IEAPMTFWHTUSKO-CCEZHUSRSA-N 1 2 327.403 3.633 20 0 EHADLO CCCCCNC(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157376 1137739702 /nfs/dbraw/zinc/73/97/02/1137739702.db2.gz IAPURITUMSRGAM-UHFFFAOYSA-N 1 2 337.851 3.612 20 0 EHADLO O[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244981 1137742304 /nfs/dbraw/zinc/74/23/04/1137742304.db2.gz VBRVQMFLICAPQA-IUODEOHRSA-N 1 2 342.386 3.860 20 0 EHADLO O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000879244981 1137742305 /nfs/dbraw/zinc/74/23/05/1137742305.db2.gz VBRVQMFLICAPQA-IUODEOHRSA-N 1 2 342.386 3.860 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H](C)c3cc4cnccc4o3)o2)c(C)o1 ZINC000879712932 1137756307 /nfs/dbraw/zinc/75/63/07/1137756307.db2.gz MIMIIKUZDNNLON-LLVKDONJSA-N 1 2 338.367 3.938 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccncc2Br)c1 ZINC000879752078 1137758050 /nfs/dbraw/zinc/75/80/50/1137758050.db2.gz LMNDDTNXDABOPM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccncc2Br)c1 ZINC000879752078 1137758051 /nfs/dbraw/zinc/75/80/51/1137758051.db2.gz LMNDDTNXDABOPM-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cnc(C(C)C)nc1C ZINC000879841756 1137760586 /nfs/dbraw/zinc/76/05/86/1137760586.db2.gz MHHIYLGMWFZXDL-UHFFFAOYSA-N 1 2 335.411 3.859 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999955 1137764204 /nfs/dbraw/zinc/76/42/04/1137764204.db2.gz JARLISCWUXQWCB-XHDPSFHLSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999955 1137764205 /nfs/dbraw/zinc/76/42/05/1137764205.db2.gz JARLISCWUXQWCB-XHDPSFHLSA-N 1 2 332.341 3.735 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880007000 1137764757 /nfs/dbraw/zinc/76/47/57/1137764757.db2.gz BDFAELXMCOOXPV-VXGBXAGGSA-N 1 2 338.502 3.638 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880007000 1137764758 /nfs/dbraw/zinc/76/47/58/1137764758.db2.gz BDFAELXMCOOXPV-VXGBXAGGSA-N 1 2 338.502 3.638 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880067792 1137767138 /nfs/dbraw/zinc/76/71/38/1137767138.db2.gz WXPXZUCUYZHZOB-CABZTGNLSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880067792 1137767139 /nfs/dbraw/zinc/76/71/39/1137767139.db2.gz WXPXZUCUYZHZOB-CABZTGNLSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880067794 1137767142 /nfs/dbraw/zinc/76/71/42/1137767142.db2.gz WXPXZUCUYZHZOB-SKDRFNHKSA-N 1 2 342.283 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880067794 1137767143 /nfs/dbraw/zinc/76/71/43/1137767143.db2.gz WXPXZUCUYZHZOB-SKDRFNHKSA-N 1 2 342.283 3.642 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@H](CF)C2)[nH]c2scc(-c3ccccc3)c21 ZINC000880295186 1137773876 /nfs/dbraw/zinc/77/38/76/1137773876.db2.gz PXJSVJNNZKQMGU-GFCCVEGCSA-N 1 2 343.427 3.855 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@H](CF)C2)[nH]c2scc(-c3ccccc3)c21 ZINC000880295186 1137773877 /nfs/dbraw/zinc/77/38/77/1137773877.db2.gz PXJSVJNNZKQMGU-GFCCVEGCSA-N 1 2 343.427 3.855 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880317872 1137775031 /nfs/dbraw/zinc/77/50/31/1137775031.db2.gz STJLVJHQRVTXQI-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880317872 1137775032 /nfs/dbraw/zinc/77/50/32/1137775032.db2.gz STJLVJHQRVTXQI-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CC[C@@H](O)c1ccccc1)C3 ZINC000880368127 1137776554 /nfs/dbraw/zinc/77/65/54/1137776554.db2.gz XQDFMSJTMYZCIK-OAQYLSRUSA-N 1 2 336.435 3.658 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CC[C@@H](O)c1ccccc1)C3 ZINC000880368127 1137776555 /nfs/dbraw/zinc/77/65/55/1137776555.db2.gz XQDFMSJTMYZCIK-OAQYLSRUSA-N 1 2 336.435 3.658 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000880373897 1137777035 /nfs/dbraw/zinc/77/70/35/1137777035.db2.gz WXAWCSHJWFKUOB-MRXNPFEDSA-N 1 2 341.402 3.861 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000880373897 1137777036 /nfs/dbraw/zinc/77/70/36/1137777036.db2.gz WXAWCSHJWFKUOB-MRXNPFEDSA-N 1 2 341.402 3.861 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)n1 ZINC000880387430 1137777461 /nfs/dbraw/zinc/77/74/61/1137777461.db2.gz JYMZAOODLRGURF-GOEBONIOSA-N 1 2 347.484 3.847 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)n1 ZINC000880387430 1137777462 /nfs/dbraw/zinc/77/74/62/1137777462.db2.gz JYMZAOODLRGURF-GOEBONIOSA-N 1 2 347.484 3.847 20 0 EHADLO FC(F)Cn1ccnc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388494 1137777561 /nfs/dbraw/zinc/77/75/61/1137777561.db2.gz KRNSRYAIQZZGRU-HNNXBMFYSA-N 1 2 337.439 3.828 20 0 EHADLO FC(F)Cn1ccnc1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388494 1137777562 /nfs/dbraw/zinc/77/75/62/1137777562.db2.gz KRNSRYAIQZZGRU-HNNXBMFYSA-N 1 2 337.439 3.828 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)cs1 ZINC000880555099 1137781252 /nfs/dbraw/zinc/78/12/52/1137781252.db2.gz UWEMHDPKFOBBON-YOEHRIQHSA-N 1 2 343.496 3.835 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cs1 ZINC000880555099 1137781253 /nfs/dbraw/zinc/78/12/53/1137781253.db2.gz UWEMHDPKFOBBON-YOEHRIQHSA-N 1 2 343.496 3.835 20 0 EHADLO c1ccc(C(OCC[N@@H+]2CCc3ncncc3C2)c2ccccc2)cc1 ZINC000880593472 1137781979 /nfs/dbraw/zinc/78/19/79/1137781979.db2.gz AKWQRORHKKIVKA-UHFFFAOYSA-N 1 2 345.446 3.641 20 0 EHADLO c1ccc(C(OCC[N@H+]2CCc3ncncc3C2)c2ccccc2)cc1 ZINC000880593472 1137781980 /nfs/dbraw/zinc/78/19/80/1137781980.db2.gz AKWQRORHKKIVKA-UHFFFAOYSA-N 1 2 345.446 3.641 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132803 1137783554 /nfs/dbraw/zinc/78/35/54/1137783554.db2.gz ZGRAXFORPJIWKO-MFKMUULPSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)O1 ZINC000626132803 1137783555 /nfs/dbraw/zinc/78/35/55/1137783555.db2.gz ZGRAXFORPJIWKO-MFKMUULPSA-N 1 2 328.225 3.514 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000881069159 1137799577 /nfs/dbraw/zinc/79/95/77/1137799577.db2.gz HRASPBXALRPXEC-OAHLLOKOSA-N 1 2 340.427 3.641 20 0 EHADLO O=C1CC2(CC[NH+](Cc3ccc(Cl)nc3)CC2)c2cc(F)ccc21 ZINC001137164352 1137801122 /nfs/dbraw/zinc/80/11/22/1137801122.db2.gz SDSYDVDJBOIAEA-UHFFFAOYSA-N 1 2 344.817 3.994 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000881657354 1137812750 /nfs/dbraw/zinc/81/27/50/1137812750.db2.gz MECVQMUVAXTQBV-UKRRQHHQSA-N 1 2 347.409 3.907 20 0 EHADLO C[C@H]1c2sccc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000882183870 1137823081 /nfs/dbraw/zinc/82/30/81/1137823081.db2.gz YJKOORUSHLRWNX-AWEZNQCLSA-N 1 2 337.448 3.752 20 0 EHADLO C[C@@H](CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000882220992 1137823913 /nfs/dbraw/zinc/82/39/13/1137823913.db2.gz QHHVXIAZRXJBGO-LBPRGKRZSA-N 1 2 339.361 3.905 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000130319258 1137836100 /nfs/dbraw/zinc/83/61/00/1137836100.db2.gz YXBZRNZINOMNMT-SUMDDJOVSA-N 1 2 338.455 3.735 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000130321146 1137836229 /nfs/dbraw/zinc/83/62/29/1137836229.db2.gz JETVCJPSOLISDJ-QGZVFWFLSA-N 1 2 326.444 3.594 20 0 EHADLO CCCCS[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873663 1137836346 /nfs/dbraw/zinc/83/63/46/1137836346.db2.gz GZPAXJZIFFPUQB-NVXWUHKLSA-N 1 2 331.485 3.662 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CCN(c1cc(C)[nH+]c(C2CC2)n1)C3 ZINC000882899878 1137837215 /nfs/dbraw/zinc/83/72/15/1137837215.db2.gz YRMXSIVSDSGUMT-UHFFFAOYSA-N 1 2 334.423 3.715 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]C1(c3ncccn3)CCC1)CCS2 ZINC000883312031 1137854156 /nfs/dbraw/zinc/85/41/56/1137854156.db2.gz RHWFXFIWBOZOHG-OAHLLOKOSA-N 1 2 327.453 3.691 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC000883325329 1137854855 /nfs/dbraw/zinc/85/48/55/1137854855.db2.gz XQANAUFTOGNWHM-UHFFFAOYSA-N 1 2 339.794 3.766 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cnc2nc(C)cc(C)n12 ZINC000883378223 1137858072 /nfs/dbraw/zinc/85/80/72/1137858072.db2.gz DBZZINQBYAUESL-UHFFFAOYSA-N 1 2 327.457 3.606 20 0 EHADLO C[C@@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000883387607 1137859106 /nfs/dbraw/zinc/85/91/06/1137859106.db2.gz AGUPWDHDAYNXDJ-OXQOHEQNSA-N 1 2 335.455 3.508 20 0 EHADLO CC1(C)SC(=O)N(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1=O ZINC000132502978 1137866769 /nfs/dbraw/zinc/86/67/69/1137866769.db2.gz OJDBDPUNQYGDDW-MRXNPFEDSA-N 1 2 344.480 3.960 20 0 EHADLO CC1(C)SC(=O)N(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1=O ZINC000132502978 1137866770 /nfs/dbraw/zinc/86/67/70/1137866770.db2.gz OJDBDPUNQYGDDW-MRXNPFEDSA-N 1 2 344.480 3.960 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)c(C)[nH]1 ZINC000348232458 1137869854 /nfs/dbraw/zinc/86/98/54/1137869854.db2.gz PTYAIUKTZZJUPP-QGZVFWFLSA-N 1 2 344.430 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)c(C)[nH]1 ZINC000348232458 1137869855 /nfs/dbraw/zinc/86/98/55/1137869855.db2.gz PTYAIUKTZZJUPP-QGZVFWFLSA-N 1 2 344.430 3.635 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348245487 1137875150 /nfs/dbraw/zinc/87/51/50/1137875150.db2.gz KAGQBZOTJVOKJT-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348245487 1137875151 /nfs/dbraw/zinc/87/51/51/1137875151.db2.gz KAGQBZOTJVOKJT-NGZCFLSTSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348245484 1137875181 /nfs/dbraw/zinc/87/51/81/1137875181.db2.gz KAGQBZOTJVOKJT-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348245484 1137875182 /nfs/dbraw/zinc/87/51/82/1137875182.db2.gz KAGQBZOTJVOKJT-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO CCC1CCC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000348261230 1137886343 /nfs/dbraw/zinc/88/63/43/1137886343.db2.gz LLAWAROORPJZQR-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)Nc1ccccc1F ZINC000107325515 1137886443 /nfs/dbraw/zinc/88/64/43/1137886443.db2.gz XJOHHUAPLKRILL-UHFFFAOYSA-N 1 2 342.418 3.923 20 0 EHADLO COCCCn1nccc1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000282865787 1137889922 /nfs/dbraw/zinc/88/99/22/1137889922.db2.gz VFLIEDLYXLCNAC-UHFFFAOYSA-N 1 2 343.446 3.738 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+](C)Cc1cnc2ccccn12 ZINC001137201129 1137892609 /nfs/dbraw/zinc/89/26/09/1137892609.db2.gz FCGMIEZLBIVJMO-UHFFFAOYSA-N 1 2 332.407 3.523 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+](C)Cc1cnc2ccccn12 ZINC001137201129 1137892610 /nfs/dbraw/zinc/89/26/10/1137892610.db2.gz FCGMIEZLBIVJMO-UHFFFAOYSA-N 1 2 332.407 3.523 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000331388090 1137892668 /nfs/dbraw/zinc/89/26/68/1137892668.db2.gz LFGOUECHOOHTDX-KRWDZBQOSA-N 1 2 325.412 3.612 20 0 EHADLO O=C(CC[C@H]1CCCCO1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000110261585 1137900205 /nfs/dbraw/zinc/90/02/05/1137900205.db2.gz CQVYEOREROQRIK-CQSZACIVSA-N 1 2 333.819 3.814 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111901648 1137906091 /nfs/dbraw/zinc/90/60/91/1137906091.db2.gz FGBOBPRMBDDDJQ-OALUTQOASA-N 1 2 338.455 3.566 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1OC ZINC000112531284 1137908419 /nfs/dbraw/zinc/90/84/19/1137908419.db2.gz FZDQVEGMAPPVPG-STQMWFEESA-N 1 2 333.432 3.977 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331925135 1137925738 /nfs/dbraw/zinc/92/57/38/1137925738.db2.gz OWSPXMZAUUTECS-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331925135 1137925739 /nfs/dbraw/zinc/92/57/39/1137925739.db2.gz OWSPXMZAUUTECS-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO COCc1n[nH]c([C@H]2CCCC[N@@H+]2Cc2c(C)cc(C)cc2C)n1 ZINC000331967777 1137927268 /nfs/dbraw/zinc/92/72/68/1137927268.db2.gz QNTMZADVVOODDT-QGZVFWFLSA-N 1 2 328.460 3.604 20 0 EHADLO COCc1n[nH]c([C@H]2CCCC[N@H+]2Cc2c(C)cc(C)cc2C)n1 ZINC000331967777 1137927269 /nfs/dbraw/zinc/92/72/69/1137927269.db2.gz QNTMZADVVOODDT-QGZVFWFLSA-N 1 2 328.460 3.604 20 0 EHADLO Cc1cccc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC001202701245 1137931387 /nfs/dbraw/zinc/93/13/87/1137931387.db2.gz YLKQPQXLBJMZOH-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332156287 1137933943 /nfs/dbraw/zinc/93/39/43/1137933943.db2.gz NYWVMQLASPENPT-JKSUJKDBSA-N 1 2 326.444 3.677 20 0 EHADLO c1csc([C@H](Nc2cc(NCC3CC3)[nH+]cn2)c2ccccc2)n1 ZINC000119532351 1137942480 /nfs/dbraw/zinc/94/24/80/1137942480.db2.gz UIMXJIZAOLGLNZ-QGZVFWFLSA-N 1 2 337.452 3.957 20 0 EHADLO c1csc([C@H](Nc2cc(NCC3CC3)nc[nH+]2)c2ccccc2)n1 ZINC000119532351 1137942481 /nfs/dbraw/zinc/94/24/81/1137942481.db2.gz UIMXJIZAOLGLNZ-QGZVFWFLSA-N 1 2 337.452 3.957 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)O1 ZINC000332415479 1137943223 /nfs/dbraw/zinc/94/32/23/1137943223.db2.gz LVWKUTOFIHSLBH-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](CCc3cc(Cl)cc(Cl)c3)C2)O1 ZINC000332415479 1137943224 /nfs/dbraw/zinc/94/32/24/1137943224.db2.gz LVWKUTOFIHSLBH-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO CCC[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000134754361 1137960797 /nfs/dbraw/zinc/96/07/97/1137960797.db2.gz JGVXSRGOCYKHND-FQEVSTJZSA-N 1 2 345.531 3.910 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1nccc1-c1cccnc1 ZINC000134815378 1137961006 /nfs/dbraw/zinc/96/10/06/1137961006.db2.gz GZGRCWNQJPLDNI-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1nccc1-c1cccnc1 ZINC000134815378 1137961007 /nfs/dbraw/zinc/96/10/07/1137961007.db2.gz GZGRCWNQJPLDNI-UHFFFAOYSA-N 1 2 330.794 3.827 20 0 EHADLO Cn1cccc1C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026480097 1137971253 /nfs/dbraw/zinc/97/12/53/1137971253.db2.gz WIWYNEYYHGWVEV-UHFFFAOYSA-N 1 2 339.464 3.697 20 0 EHADLO COc1ccc([C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C2CCC2)cc1 ZINC000885402670 1137999557 /nfs/dbraw/zinc/99/95/57/1137999557.db2.gz JGIAUFJSFLXNOX-SFHVURJKSA-N 1 2 341.455 3.593 20 0 EHADLO C[C@@H](CC1CCC1)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242253 1138022716 /nfs/dbraw/zinc/02/27/16/1138022716.db2.gz NVRNLHIZFSTMIP-MAUKXSAKSA-N 1 2 326.444 3.502 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cccc2Cl)c(F)c1OC ZINC000885954432 1138028297 /nfs/dbraw/zinc/02/82/97/1138028297.db2.gz XZMFZNSVYNTBGS-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c1OC ZINC000886060235 1138036704 /nfs/dbraw/zinc/03/67/04/1138036704.db2.gz XXQABPDLOBRFLW-QGZVFWFLSA-N 1 2 343.471 3.957 20 0 EHADLO Clc1nc2cc(Cl)ccn2c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886270406 1138063339 /nfs/dbraw/zinc/06/33/39/1138063339.db2.gz CRUITFVTMQLQKA-UHFFFAOYSA-N 1 2 337.210 3.796 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+]Cc2ccccc2C2CC2)n1 ZINC000886303758 1138065920 /nfs/dbraw/zinc/06/59/20/1138065920.db2.gz FROCWSDKNVVHKW-UHFFFAOYSA-N 1 2 337.398 3.967 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+](C)[C@@H](CO)c3ccccc3C)o2)cc1 ZINC000886431615 1138076250 /nfs/dbraw/zinc/07/62/50/1138076250.db2.gz BVSKYLKIRIZDRV-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+](C)[C@@H](CO)c3ccccc3C)o2)cc1 ZINC000886431615 1138076252 /nfs/dbraw/zinc/07/62/52/1138076252.db2.gz BVSKYLKIRIZDRV-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000886433807 1138076620 /nfs/dbraw/zinc/07/66/20/1138076620.db2.gz UZPACMDZSLBGAO-OAHLLOKOSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000886433807 1138076623 /nfs/dbraw/zinc/07/66/23/1138076623.db2.gz UZPACMDZSLBGAO-OAHLLOKOSA-N 1 2 328.437 3.877 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000886542905 1138093874 /nfs/dbraw/zinc/09/38/74/1138093874.db2.gz HQTCXONIMJIWSU-HNAYVOBHSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000886542905 1138093876 /nfs/dbraw/zinc/09/38/76/1138093876.db2.gz HQTCXONIMJIWSU-HNAYVOBHSA-N 1 2 329.465 3.673 20 0 EHADLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072976345 1138109428 /nfs/dbraw/zinc/10/94/28/1138109428.db2.gz KFVZNJVSWHDNQB-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072976345 1138109430 /nfs/dbraw/zinc/10/94/30/1138109430.db2.gz KFVZNJVSWHDNQB-LBPRGKRZSA-N 1 2 345.270 3.680 20 0 EHADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714809 1138123947 /nfs/dbraw/zinc/12/39/47/1138123947.db2.gz VKAISDHEPUOYKA-RNODOKPDSA-N 1 2 337.398 3.823 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000886811399 1138147323 /nfs/dbraw/zinc/14/73/23/1138147323.db2.gz ROJVWGOPNSCJPZ-HNNXBMFYSA-N 1 2 348.434 3.938 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000886811399 1138147325 /nfs/dbraw/zinc/14/73/25/1138147325.db2.gz ROJVWGOPNSCJPZ-HNNXBMFYSA-N 1 2 348.434 3.938 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1 ZINC000080658625 1138163784 /nfs/dbraw/zinc/16/37/84/1138163784.db2.gz OMUFRCXMGPELQO-UHFFFAOYSA-N 1 2 338.455 3.852 20 0 EHADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000886969226 1138177005 /nfs/dbraw/zinc/17/70/05/1138177005.db2.gz UCECMIFLADZNCF-COXVUDFISA-N 1 2 339.863 3.534 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000084301428 1138179689 /nfs/dbraw/zinc/17/96/89/1138179689.db2.gz VMOGZMCTYIKQCL-LBPRGKRZSA-N 1 2 337.876 3.715 20 0 EHADLO O=C1CC2(CC[NH+](Cc3cnccc3Cl)CC2)c2cc(F)ccc21 ZINC001137232070 1138181921 /nfs/dbraw/zinc/18/19/21/1138181921.db2.gz CAPXJFWNWCQVBL-UHFFFAOYSA-N 1 2 344.817 3.994 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000086362120 1138187058 /nfs/dbraw/zinc/18/70/58/1138187058.db2.gz BQALBWYZFOZOOZ-MRXNPFEDSA-N 1 2 344.503 3.790 20 0 EHADLO COc1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc(OC)c1O ZINC000348401057 1138187223 /nfs/dbraw/zinc/18/72/23/1138187223.db2.gz DAZZAWBTZLPMEU-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc(OC)c1O ZINC000348401057 1138187225 /nfs/dbraw/zinc/18/72/25/1138187225.db2.gz DAZZAWBTZLPMEU-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO C[C@@H](CC(=O)NC[C@H](C)Cn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000089247937 1138195984 /nfs/dbraw/zinc/19/59/84/1138195984.db2.gz UDMKVPFUMJKWSP-CABCVRRESA-N 1 2 333.863 3.558 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3nc(C4CC4)cs3)c(C)n2n1 ZINC000090460573 1138210775 /nfs/dbraw/zinc/21/07/75/1138210775.db2.gz AAVWNTIPCLUWQJ-LLVKDONJSA-N 1 2 327.457 3.531 20 0 EHADLO C[C@@H](CC(=O)N(C)CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000092960682 1138233039 /nfs/dbraw/zinc/23/30/39/1138233039.db2.gz KJJZULPDBRGDQG-OAHLLOKOSA-N 1 2 333.863 3.654 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3nc(C(C)(C)C)cs3)c(C)n2n1 ZINC000093405693 1138237275 /nfs/dbraw/zinc/23/72/75/1138237275.db2.gz CAZWJOIXPPXHID-GFCCVEGCSA-N 1 2 343.500 3.951 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)o1 ZINC000093809972 1138241375 /nfs/dbraw/zinc/24/13/75/1138241375.db2.gz FOOKWNGYBADXGN-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)o1 ZINC000093809972 1138241378 /nfs/dbraw/zinc/24/13/78/1138241378.db2.gz FOOKWNGYBADXGN-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(OC)cc2)s1 ZINC000122150898 1138254921 /nfs/dbraw/zinc/25/49/21/1138254921.db2.gz FEASODKYIXCSOD-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC)cc2)s1 ZINC000122150898 1138254922 /nfs/dbraw/zinc/25/49/22/1138254922.db2.gz FEASODKYIXCSOD-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123432763 1138269955 /nfs/dbraw/zinc/26/99/55/1138269955.db2.gz FLBXXKLZEJIMEP-DOMZBBRYSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@@H]1CCN(C(=O)COc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000123490530 1138270784 /nfs/dbraw/zinc/27/07/84/1138270784.db2.gz AWJZRSLULLBUIS-OXQOHEQNSA-N 1 2 349.434 3.525 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124888914 1138296393 /nfs/dbraw/zinc/29/63/93/1138296393.db2.gz DUKFUCWXSVRULL-QAPCUYQASA-N 1 2 342.443 3.787 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333530053 1138301106 /nfs/dbraw/zinc/30/11/06/1138301106.db2.gz XXEZEZXNRMJPTM-CRAIPNDOSA-N 1 2 344.503 3.687 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125372985 1138307168 /nfs/dbraw/zinc/30/71/68/1138307168.db2.gz IYGHXTPMVQUELC-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125372985 1138307171 /nfs/dbraw/zinc/30/71/71/1138307171.db2.gz IYGHXTPMVQUELC-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO CC(C)(CC1CCCCCC1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333582807 1138307381 /nfs/dbraw/zinc/30/73/81/1138307381.db2.gz VWBCRPCDURKYAJ-INIZCTEOSA-N 1 2 332.492 3.636 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000263642897 1138334233 /nfs/dbraw/zinc/33/42/33/1138334233.db2.gz CDVPDKWLSIKLJZ-UHFFFAOYSA-N 1 2 338.436 3.524 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000127150562 1138347954 /nfs/dbraw/zinc/34/79/54/1138347954.db2.gz BFTBZFMTYUNFIR-XJKSGUPXSA-N 1 2 332.835 3.960 20 0 EHADLO CCC[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000263764059 1138359946 /nfs/dbraw/zinc/35/99/46/1138359946.db2.gz KROWWNXPDJFMKS-OAHLLOKOSA-N 1 2 339.361 3.950 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000128248789 1138384077 /nfs/dbraw/zinc/38/40/77/1138384077.db2.gz KFYQBYAKMDHVMN-ZDUSSCGKSA-N 1 2 341.842 3.780 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000128248789 1138384078 /nfs/dbraw/zinc/38/40/78/1138384078.db2.gz KFYQBYAKMDHVMN-ZDUSSCGKSA-N 1 2 341.842 3.780 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000263909633 1138390606 /nfs/dbraw/zinc/39/06/06/1138390606.db2.gz BHKVPWNKQJYQFP-CYBMUJFWSA-N 1 2 329.831 3.501 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263936404 1138394883 /nfs/dbraw/zinc/39/48/83/1138394883.db2.gz FHECQUCKUXQGPS-OAHLLOKOSA-N 1 2 346.862 3.585 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000128911828 1138400004 /nfs/dbraw/zinc/40/00/04/1138400004.db2.gz NTHHCXXFJVWSOI-AWEZNQCLSA-N 1 2 339.464 3.748 20 0 EHADLO c1sc(C2CC2)nc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000336869534 1138418121 /nfs/dbraw/zinc/41/81/21/1138418121.db2.gz COIUVMYCAIATJZ-ZDUSSCGKSA-N 1 2 330.457 3.661 20 0 EHADLO c1sc(C2CC2)nc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000336869534 1138418123 /nfs/dbraw/zinc/41/81/23/1138418123.db2.gz COIUVMYCAIATJZ-ZDUSSCGKSA-N 1 2 330.457 3.661 20 0 EHADLO Fc1ccc2[nH]cc(CCCNc3cc(N4CCCC4)nc[nH+]3)c2c1 ZINC000336924593 1138428600 /nfs/dbraw/zinc/42/86/00/1138428600.db2.gz VQIGOKDQDKMTMZ-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO Fc1ccc2[nH]cc(CCCNc3cc(N4CCCC4)[nH+]cn3)c2c1 ZINC000336924593 1138428601 /nfs/dbraw/zinc/42/86/01/1138428601.db2.gz VQIGOKDQDKMTMZ-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO CSc1ccsc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000336995754 1138444302 /nfs/dbraw/zinc/44/43/02/1138444302.db2.gz NXFMTFUQVUIBSY-UHFFFAOYSA-N 1 2 348.493 3.555 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000130360828 1138450374 /nfs/dbraw/zinc/45/03/74/1138450374.db2.gz QIRKFTPZBZHVNA-LBPRGKRZSA-N 1 2 336.407 3.545 20 0 EHADLO CC(C)(COCc1ccccc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000337067075 1138459750 /nfs/dbraw/zinc/45/97/50/1138459750.db2.gz WWRPHCSAHFXMJX-UHFFFAOYSA-N 1 2 349.434 3.598 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C)c1 ZINC000264279585 1138462733 /nfs/dbraw/zinc/46/27/33/1138462733.db2.gz TYRQZOFGULEYBX-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264288797 1138464466 /nfs/dbraw/zinc/46/44/66/1138464466.db2.gz YNJBMQMDEUQBDD-HZPDHXFCSA-N 1 2 333.476 3.588 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000887579109 1138469440 /nfs/dbraw/zinc/46/94/40/1138469440.db2.gz MKHKLJBPACEUNV-KURKYZTESA-N 1 2 337.467 3.566 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)o1 ZINC000130971789 1138487442 /nfs/dbraw/zinc/48/74/42/1138487442.db2.gz SMFKIQBDUKJPGS-QGZVFWFLSA-N 1 2 325.412 3.650 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)o1 ZINC000130971789 1138487443 /nfs/dbraw/zinc/48/74/43/1138487443.db2.gz SMFKIQBDUKJPGS-QGZVFWFLSA-N 1 2 325.412 3.650 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3ncnn3-c3ccccc3)oc21 ZINC000337205980 1138495098 /nfs/dbraw/zinc/49/50/98/1138495098.db2.gz LROKCOUTNHAMRN-AWEZNQCLSA-N 1 2 348.406 3.873 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000337213508 1138496732 /nfs/dbraw/zinc/49/67/32/1138496732.db2.gz CQJJEIVEVLDSJE-VIFPVBQESA-N 1 2 331.363 3.747 20 0 EHADLO COc1cc(NCc2cc(-n3cc[nH+]c3)cs2)c(C)c(OC)c1 ZINC000337282576 1138518888 /nfs/dbraw/zinc/51/88/88/1138518888.db2.gz ILDPJRHKAODYTI-UHFFFAOYSA-N 1 2 329.425 3.872 20 0 EHADLO Cc1nn2c(C[N@@H+]3CC[C@](F)(c4ccccc4C)C3)c(C)nc2s1 ZINC000337388369 1138553048 /nfs/dbraw/zinc/55/30/48/1138553048.db2.gz FKVRODVFOIOSJA-GOSISDBHSA-N 1 2 344.459 3.787 20 0 EHADLO Cc1nn2c(C[N@H+]3CC[C@](F)(c4ccccc4C)C3)c(C)nc2s1 ZINC000337388369 1138553050 /nfs/dbraw/zinc/55/30/50/1138553050.db2.gz FKVRODVFOIOSJA-GOSISDBHSA-N 1 2 344.459 3.787 20 0 EHADLO CCOc1nnc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)s1 ZINC000264588123 1138568447 /nfs/dbraw/zinc/56/84/47/1138568447.db2.gz XFZRLSXIAGDYQG-UHFFFAOYSA-N 1 2 349.500 3.997 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000337437225 1138569189 /nfs/dbraw/zinc/56/91/89/1138569189.db2.gz IKOIFFVRZCIQCF-KGLIPLIRSA-N 1 2 338.521 3.883 20 0 EHADLO CC(C)[C@H](C)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000337437225 1138569191 /nfs/dbraw/zinc/56/91/91/1138569191.db2.gz IKOIFFVRZCIQCF-KGLIPLIRSA-N 1 2 338.521 3.883 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132285107 1138572247 /nfs/dbraw/zinc/57/22/47/1138572247.db2.gz JLBPVMWNQUIZRG-SJORKVTESA-N 1 2 347.462 3.933 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132285107 1138572250 /nfs/dbraw/zinc/57/22/50/1138572250.db2.gz JLBPVMWNQUIZRG-SJORKVTESA-N 1 2 347.462 3.933 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000337495286 1138586294 /nfs/dbraw/zinc/58/62/94/1138586294.db2.gz HZUSHCWKJLUIRR-OPNUXEITSA-N 1 2 345.430 3.950 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000337495286 1138586296 /nfs/dbraw/zinc/58/62/96/1138586296.db2.gz HZUSHCWKJLUIRR-OPNUXEITSA-N 1 2 345.430 3.950 20 0 EHADLO C[N@H+](CC[S@](=O)c1ccccc1)Cc1ccc(F)cc1Cl ZINC000337520460 1138593169 /nfs/dbraw/zinc/59/31/69/1138593169.db2.gz XRSLPFXZASVDCX-NRFANRHFSA-N 1 2 325.836 3.719 20 0 EHADLO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccc(F)cc1Cl ZINC000337520460 1138593172 /nfs/dbraw/zinc/59/31/72/1138593172.db2.gz XRSLPFXZASVDCX-NRFANRHFSA-N 1 2 325.836 3.719 20 0 EHADLO Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132958423 1138613475 /nfs/dbraw/zinc/61/34/75/1138613475.db2.gz FLXFQKDZWSVPSF-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132958423 1138613479 /nfs/dbraw/zinc/61/34/79/1138613479.db2.gz FLXFQKDZWSVPSF-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccc2ccccc2c1 ZINC000337587004 1138614384 /nfs/dbraw/zinc/61/43/84/1138614384.db2.gz LFXXSMVREAUUKK-KKSFZXQISA-N 1 2 345.446 3.511 20 0 EHADLO CCSc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000337596172 1138616336 /nfs/dbraw/zinc/61/63/36/1138616336.db2.gz OZCRHBQYRFKQPZ-SFHVURJKSA-N 1 2 344.455 3.724 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337610373 1138620373 /nfs/dbraw/zinc/62/03/73/1138620373.db2.gz XXRRVSQUQUIOMW-HXUWFJFHSA-N 1 2 338.426 3.880 20 0 EHADLO CC(C)COc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264760761 1138630345 /nfs/dbraw/zinc/63/03/45/1138630345.db2.gz UEGZJTPWLQHOBR-HNNXBMFYSA-N 1 2 342.443 3.856 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264800202 1138643047 /nfs/dbraw/zinc/64/30/47/1138643047.db2.gz ULAZTHJYGPYMBD-SFTDATJTSA-N 1 2 345.446 3.998 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000337936440 1138701790 /nfs/dbraw/zinc/70/17/90/1138701790.db2.gz BUVQGQVLDNMMCV-ZWNOBZJWSA-N 1 2 334.210 3.638 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809616 1138706593 /nfs/dbraw/zinc/70/65/93/1138706593.db2.gz NLPVOZOZXFQEEW-LSDHHAIUSA-N 1 2 339.361 3.505 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809616 1138706596 /nfs/dbraw/zinc/70/65/96/1138706596.db2.gz NLPVOZOZXFQEEW-LSDHHAIUSA-N 1 2 339.361 3.505 20 0 EHADLO CCN(c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cn1)C(C)C ZINC000338038009 1138730584 /nfs/dbraw/zinc/73/05/84/1138730584.db2.gz YTUCQTYHDXPJST-UHFFFAOYSA-N 1 2 349.438 3.754 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nonc2C)cc1OCCC ZINC000265126699 1138737810 /nfs/dbraw/zinc/73/78/10/1138737810.db2.gz LNYLCBAFKQYWOC-ZDUSSCGKSA-N 1 2 333.432 3.806 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000338137192 1138762946 /nfs/dbraw/zinc/76/29/46/1138762946.db2.gz MPHYZGIVOCJHAC-UHFFFAOYSA-N 1 2 332.816 3.689 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338179920 1138777310 /nfs/dbraw/zinc/77/73/10/1138777310.db2.gz TWSAWVXGWVMUAV-GOSISDBHSA-N 1 2 325.456 3.972 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1cccnc1 ZINC000265274112 1138791674 /nfs/dbraw/zinc/79/16/74/1138791674.db2.gz VENRXPZXOZUWIZ-INIZCTEOSA-N 1 2 334.423 3.550 20 0 EHADLO C[N@H+](CCC(F)(F)F)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000338255074 1138802716 /nfs/dbraw/zinc/80/27/16/1138802716.db2.gz IUNHYQVEAFQZMN-UHFFFAOYSA-N 1 2 330.394 3.698 20 0 EHADLO C[N@@H+](CCC(F)(F)F)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000338255074 1138802720 /nfs/dbraw/zinc/80/27/20/1138802720.db2.gz IUNHYQVEAFQZMN-UHFFFAOYSA-N 1 2 330.394 3.698 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccsc1 ZINC000338261559 1138805001 /nfs/dbraw/zinc/80/50/01/1138805001.db2.gz NQGFRFVPSMUGQB-LRDDRELGSA-N 1 2 334.872 3.678 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338263259 1138806294 /nfs/dbraw/zinc/80/62/94/1138806294.db2.gz ZXDHIZUSKDPWAW-LJQANCHMSA-N 1 2 340.854 3.615 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000338270229 1138809207 /nfs/dbraw/zinc/80/92/07/1138809207.db2.gz VIBAVROTPWLQBU-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000338331658 1138836888 /nfs/dbraw/zinc/83/68/88/1138836888.db2.gz JCZBLLGIWYTXKL-GOSISDBHSA-N 1 2 344.459 3.508 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000338331658 1138836895 /nfs/dbraw/zinc/83/68/95/1138836895.db2.gz JCZBLLGIWYTXKL-GOSISDBHSA-N 1 2 344.459 3.508 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)[nH]1 ZINC000338334308 1138838727 /nfs/dbraw/zinc/83/87/27/1138838727.db2.gz WRBZEPJZXLFOGG-INIZCTEOSA-N 1 2 334.851 3.763 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)[nH]1 ZINC000338334308 1138838730 /nfs/dbraw/zinc/83/87/30/1138838730.db2.gz WRBZEPJZXLFOGG-INIZCTEOSA-N 1 2 334.851 3.763 20 0 EHADLO CC[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379935 1138874012 /nfs/dbraw/zinc/87/40/12/1138874012.db2.gz KRDDAHYGZLQDSC-QAPCUYQASA-N 1 2 343.471 3.753 20 0 EHADLO CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379935 1138874023 /nfs/dbraw/zinc/87/40/23/1138874023.db2.gz KRDDAHYGZLQDSC-QAPCUYQASA-N 1 2 343.471 3.753 20 0 EHADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1ccccn1 ZINC000152435247 1139090482 /nfs/dbraw/zinc/09/04/82/1139090482.db2.gz FFITZPZZUFMNKL-SUMWQHHRSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1ccccn1 ZINC000152435247 1139090490 /nfs/dbraw/zinc/09/04/90/1139090490.db2.gz FFITZPZZUFMNKL-SUMWQHHRSA-N 1 2 347.256 3.806 20 0 EHADLO CC[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1OC)c1nccs1 ZINC000152648677 1139101797 /nfs/dbraw/zinc/10/17/97/1139101797.db2.gz ZFXXOKYYHKERCF-KRWDZBQOSA-N 1 2 336.457 3.584 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000153649661 1139145522 /nfs/dbraw/zinc/14/55/22/1139145522.db2.gz LEMXVFSFQGLOKQ-SZVBFZGTSA-N 1 2 340.471 3.854 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnn(C2CCC2)c1)c1cccc(Cl)c1 ZINC000889060879 1139160575 /nfs/dbraw/zinc/16/05/75/1139160575.db2.gz WLZUFFUIHZMWDF-INIZCTEOSA-N 1 2 332.835 3.503 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)CC2 ZINC000429569958 1139275901 /nfs/dbraw/zinc/27/59/01/1139275901.db2.gz VKFRFZFKVMPQBP-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)CC2 ZINC000429569958 1139275905 /nfs/dbraw/zinc/27/59/05/1139275905.db2.gz VKFRFZFKVMPQBP-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)c1C ZINC000429571287 1139331469 /nfs/dbraw/zinc/33/14/69/1139331469.db2.gz QTVJPFVNZGVWFS-OAHLLOKOSA-N 1 2 338.451 3.772 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)c1C ZINC000429571287 1139331473 /nfs/dbraw/zinc/33/14/73/1139331473.db2.gz QTVJPFVNZGVWFS-OAHLLOKOSA-N 1 2 338.451 3.772 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(Cc2ccccc2Cl)C1 ZINC001137262506 1139364373 /nfs/dbraw/zinc/36/43/73/1139364373.db2.gz BDJHYCBHCWMMIY-UHFFFAOYSA-N 1 2 325.799 3.531 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc(N(CC)CC)s2)o1 ZINC000174476912 1139422363 /nfs/dbraw/zinc/42/23/63/1139422363.db2.gz GIRIMJKHIPKRQV-OAHLLOKOSA-N 1 2 337.489 3.622 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSC(C)(C)C ZINC000174896911 1139448661 /nfs/dbraw/zinc/44/86/61/1139448661.db2.gz GSVWPWQDTBQNDZ-UHFFFAOYSA-N 1 2 349.544 3.678 20 0 EHADLO CCCCO[C@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)C1(C)C ZINC000777289775 1139464200 /nfs/dbraw/zinc/46/42/00/1139464200.db2.gz JJYQREOTRMDFAY-HOTGVXAUSA-N 1 2 338.517 3.703 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCCCCC2)CC1 ZINC000176582611 1139566677 /nfs/dbraw/zinc/56/66/77/1139566677.db2.gz JHLOELNQRADTIS-QGZVFWFLSA-N 1 2 329.488 3.647 20 0 EHADLO C[C@H]1CCN(C(=O)COc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000177491259 1139622531 /nfs/dbraw/zinc/62/25/31/1139622531.db2.gz OOOLIJCNXGDAIV-LPHOPBHVSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000177504346 1139623432 /nfs/dbraw/zinc/62/34/32/1139623432.db2.gz LGEWLHVRXGXAIS-QRFRQXIXSA-N 1 2 337.467 3.803 20 0 EHADLO C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000177546818 1139626386 /nfs/dbraw/zinc/62/63/86/1139626386.db2.gz RKDMZBNHPZRXEJ-CKWWRACOSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177781806 1139641114 /nfs/dbraw/zinc/64/11/14/1139641114.db2.gz KDDDJSQGBODKIX-HNNXBMFYSA-N 1 2 343.471 3.557 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000178665786 1139711049 /nfs/dbraw/zinc/71/10/49/1139711049.db2.gz UBKQVIOAZWCXEJ-UHFFFAOYSA-N 1 2 340.814 3.562 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1cccc(N2CCOC2=O)c1 ZINC000179285841 1139747333 /nfs/dbraw/zinc/74/73/33/1139747333.db2.gz UIFGVHHGCPKXOS-ZDUSSCGKSA-N 1 2 336.395 3.703 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000179607687 1139768238 /nfs/dbraw/zinc/76/82/38/1139768238.db2.gz DWFYESJLRHBLMR-LLVKDONJSA-N 1 2 325.359 3.720 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776193 1139781870 /nfs/dbraw/zinc/78/18/70/1139781870.db2.gz HLNOAWBNBNGGKC-LBPRGKRZSA-N 1 2 342.443 3.566 20 0 EHADLO COc1nc(C)ccc1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000777365370 1139867430 /nfs/dbraw/zinc/86/74/30/1139867430.db2.gz USLAUPNJTSQBEK-UHFFFAOYSA-N 1 2 336.395 3.658 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181278555 1139896431 /nfs/dbraw/zinc/89/64/31/1139896431.db2.gz MGYBRDCEDHCCQT-CMKODMSKSA-N 1 2 339.483 3.952 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181287075 1139898611 /nfs/dbraw/zinc/89/86/11/1139898611.db2.gz HOYKLRBQYQYQOM-STQMWFEESA-N 1 2 344.415 3.561 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)C(C)C ZINC000181464752 1139908470 /nfs/dbraw/zinc/90/84/70/1139908470.db2.gz VMIYOEZSCFJUGA-QGZVFWFLSA-N 1 2 325.460 3.681 20 0 EHADLO CC(C)C[C@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182524181 1139978199 /nfs/dbraw/zinc/97/81/99/1139978199.db2.gz CTOUJQNBSPGXTJ-CQSZACIVSA-N 1 2 344.484 3.658 20 0 EHADLO CC(C)C[C@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182524181 1139978201 /nfs/dbraw/zinc/97/82/01/1139978201.db2.gz CTOUJQNBSPGXTJ-CQSZACIVSA-N 1 2 344.484 3.658 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)s2)o1 ZINC000183283420 1140027610 /nfs/dbraw/zinc/02/76/10/1140027610.db2.gz RMNGFCUGWZTQNM-UHFFFAOYSA-N 1 2 329.425 3.675 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cnn(C)c3C)co2)cc1 ZINC000183470166 1140040544 /nfs/dbraw/zinc/04/05/44/1140040544.db2.gz PPGZUIWIGQIMAB-CYBMUJFWSA-N 1 2 340.427 3.633 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2OCC(=O)OC)cs1 ZINC000183571213 1140047346 /nfs/dbraw/zinc/04/73/46/1140047346.db2.gz ZAVYHYHQTYGTTQ-CHWSQXEVSA-N 1 2 348.468 3.669 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1C)c1ccco1 ZINC000184588530 1140110594 /nfs/dbraw/zinc/11/05/94/1140110594.db2.gz VIMRQLFMMGLDCM-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1C)c1ccco1 ZINC000184619451 1140111446 /nfs/dbraw/zinc/11/14/46/1140111446.db2.gz CVVBWCBRPDWDKP-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(C)o1 ZINC000184718099 1140116799 /nfs/dbraw/zinc/11/67/99/1140116799.db2.gz PVQBZEZRUAWVJR-SFHVURJKSA-N 1 2 338.407 3.657 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)o1 ZINC000184842748 1140122222 /nfs/dbraw/zinc/12/22/22/1140122222.db2.gz NPCPKLWOJFWMAB-QGZVFWFLSA-N 1 2 341.407 3.734 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185026441 1140131928 /nfs/dbraw/zinc/13/19/28/1140131928.db2.gz XXYQBSFGWDNTKV-ZDUSSCGKSA-N 1 2 331.485 3.866 20 0 EHADLO c1cn(CCCSc2nnc(CCCc3ccccc3)o2)c[nH+]1 ZINC000185559173 1140155549 /nfs/dbraw/zinc/15/55/49/1140155549.db2.gz YBKZYQASKLINEU-UHFFFAOYSA-N 1 2 328.441 3.624 20 0 EHADLO c1ccc(OCc2n[nH]c(C[NH2+][C@@H]3CCCCc4ccccc43)n2)cc1 ZINC000186428318 1140203096 /nfs/dbraw/zinc/20/30/96/1140203096.db2.gz ZSVJCFMVKSZEFQ-LJQANCHMSA-N 1 2 348.450 3.941 20 0 EHADLO Cc1cccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1C ZINC000186420158 1140203442 /nfs/dbraw/zinc/20/34/42/1140203442.db2.gz PELWHRIBMHHKMD-INIZCTEOSA-N 1 2 336.439 3.851 20 0 EHADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000186438009 1140204116 /nfs/dbraw/zinc/20/41/16/1140204116.db2.gz CHVLOTRQBUXCMW-INIZCTEOSA-N 1 2 336.439 3.851 20 0 EHADLO Fc1ccc(OCCC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187015504 1140232875 /nfs/dbraw/zinc/23/28/75/1140232875.db2.gz LRXAEUGLZWRKPL-OAHLLOKOSA-N 1 2 338.473 3.841 20 0 EHADLO Fc1ccc(OCCC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187015504 1140232879 /nfs/dbraw/zinc/23/28/79/1140232879.db2.gz LRXAEUGLZWRKPL-OAHLLOKOSA-N 1 2 338.473 3.841 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187876895 1140275421 /nfs/dbraw/zinc/27/54/21/1140275421.db2.gz QQUDTAVCFYXGPZ-HNNXBMFYSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187876895 1140275424 /nfs/dbraw/zinc/27/54/24/1140275424.db2.gz QQUDTAVCFYXGPZ-HNNXBMFYSA-N 1 2 340.851 3.860 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1F ZINC000188479335 1140298269 /nfs/dbraw/zinc/29/82/69/1140298269.db2.gz VRUNPMXNEKCVNH-IINYFYTJSA-N 1 2 342.208 3.956 20 0 EHADLO C[C@H]1C[C@@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000189132682 1140323526 /nfs/dbraw/zinc/32/35/26/1140323526.db2.gz DKKMOCYYZDPVJQ-ULFGMLNVSA-N 1 2 331.847 3.520 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cs1 ZINC000189190237 1140325823 /nfs/dbraw/zinc/32/58/23/1140325823.db2.gz UUGBDIJVNIWWLT-ZDUSSCGKSA-N 1 2 344.459 3.940 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189721306 1140359948 /nfs/dbraw/zinc/35/99/48/1140359948.db2.gz XJLZWLWXASVOPC-CABCVRRESA-N 1 2 337.395 3.593 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189721306 1140359956 /nfs/dbraw/zinc/35/99/56/1140359956.db2.gz XJLZWLWXASVOPC-CABCVRRESA-N 1 2 337.395 3.593 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nnnn1C1CCCCC1 ZINC000189737913 1140361011 /nfs/dbraw/zinc/36/10/11/1140361011.db2.gz KYHDLTRYZQHJRV-RYUDHWBXSA-N 1 2 335.402 3.868 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(Cc2ccccc2Cl)CC1 ZINC000190146548 1140389490 /nfs/dbraw/zinc/38/94/90/1140389490.db2.gz KDKNRBAXZLVCPO-UHFFFAOYSA-N 1 2 339.826 3.627 20 0 EHADLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148476 1140389937 /nfs/dbraw/zinc/38/99/37/1140389937.db2.gz KODFHFJBZJLZJE-TZMCWYRMSA-N 1 2 335.473 3.699 20 0 EHADLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000190148476 1140389945 /nfs/dbraw/zinc/38/99/45/1140389945.db2.gz KODFHFJBZJLZJE-TZMCWYRMSA-N 1 2 335.473 3.699 20 0 EHADLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000190470101 1140406430 /nfs/dbraw/zinc/40/64/30/1140406430.db2.gz QZMRPTNUIBAIGA-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000190470101 1140406432 /nfs/dbraw/zinc/40/64/32/1140406432.db2.gz QZMRPTNUIBAIGA-JTQLQIEISA-N 1 2 333.284 3.617 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nccc(OC)c1OC)CCC2 ZINC000190905749 1140424391 /nfs/dbraw/zinc/42/43/91/1140424391.db2.gz UYTDWGUVPHXIIF-CQSZACIVSA-N 1 2 347.484 3.627 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nccc(OC)c1OC)CCC2 ZINC000190905749 1140424397 /nfs/dbraw/zinc/42/43/97/1140424397.db2.gz UYTDWGUVPHXIIF-CQSZACIVSA-N 1 2 347.484 3.627 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@H](C)CC(O)C[C@@H]3C)cs2)cc1 ZINC000191191882 1140443016 /nfs/dbraw/zinc/44/30/16/1140443016.db2.gz PSLWSQKOLCCCQH-FKEKPDDDSA-N 1 2 346.496 3.764 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@H](C)CC(O)C[C@@H]3C)cs2)cc1 ZINC000191191882 1140443020 /nfs/dbraw/zinc/44/30/20/1140443020.db2.gz PSLWSQKOLCCCQH-FKEKPDDDSA-N 1 2 346.496 3.764 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)cn1 ZINC000191676065 1140478507 /nfs/dbraw/zinc/47/85/07/1140478507.db2.gz GLBHMZSSKUQTQL-UHFFFAOYSA-N 1 2 340.320 3.681 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OCC)cc1 ZINC000191775551 1140484074 /nfs/dbraw/zinc/48/40/74/1140484074.db2.gz CFYCYIKDJGIUPP-UHFFFAOYSA-N 1 2 344.459 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Cl)c1F ZINC000192256399 1140514762 /nfs/dbraw/zinc/51/47/62/1140514762.db2.gz JQFVZTFMAXYFCK-UHFFFAOYSA-N 1 2 337.826 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nccc2ccccc21 ZINC000192258856 1140517001 /nfs/dbraw/zinc/51/70/01/1140517001.db2.gz DBTJINYEDXZRDR-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000193497920 1140578206 /nfs/dbraw/zinc/57/82/06/1140578206.db2.gz LCGYACFDSLVTEY-LJQANCHMSA-N 1 2 329.419 3.540 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000194824387 1140623444 /nfs/dbraw/zinc/62/34/44/1140623444.db2.gz XVROFDKWKJTFPN-UHFFFAOYSA-N 1 2 329.227 3.512 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000266125757 1140643750 /nfs/dbraw/zinc/64/37/50/1140643750.db2.gz QAUCRVMLMJGYPO-MRXNPFEDSA-N 1 2 349.438 3.512 20 0 EHADLO c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000266125757 1140643757 /nfs/dbraw/zinc/64/37/57/1140643757.db2.gz QAUCRVMLMJGYPO-MRXNPFEDSA-N 1 2 349.438 3.512 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCS1 ZINC000266566578 1140702861 /nfs/dbraw/zinc/70/28/61/1140702861.db2.gz OFEXOBVXDWEVOO-INIZCTEOSA-N 1 2 327.453 3.721 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1nccs1 ZINC000266642920 1140711607 /nfs/dbraw/zinc/71/16/07/1140711607.db2.gz BQOKWUSVAUMXAW-UHFFFAOYSA-N 1 2 344.267 3.913 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCCOc2ccccc2)n1 ZINC000266737262 1140719960 /nfs/dbraw/zinc/71/99/60/1140719960.db2.gz NGXUIKQBYSOVLB-INIZCTEOSA-N 1 2 347.459 3.704 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2ccccc2)n1 ZINC000266737262 1140719962 /nfs/dbraw/zinc/71/99/62/1140719962.db2.gz NGXUIKQBYSOVLB-INIZCTEOSA-N 1 2 347.459 3.704 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000266917920 1140737589 /nfs/dbraw/zinc/73/75/89/1140737589.db2.gz GYBMJEMLWKJKMR-GFCCVEGCSA-N 1 2 330.375 3.636 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000266917920 1140737594 /nfs/dbraw/zinc/73/75/94/1140737594.db2.gz GYBMJEMLWKJKMR-GFCCVEGCSA-N 1 2 330.375 3.636 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c(C)s1 ZINC000267271129 1140774134 /nfs/dbraw/zinc/77/41/34/1140774134.db2.gz ZPAPUCLQODCHCF-ZFWWWQNUSA-N 1 2 346.500 3.537 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c(C)s1 ZINC000267271129 1140774139 /nfs/dbraw/zinc/77/41/39/1140774139.db2.gz ZPAPUCLQODCHCF-ZFWWWQNUSA-N 1 2 346.500 3.537 20 0 EHADLO COc1coc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1=O ZINC000267902070 1140848018 /nfs/dbraw/zinc/84/80/18/1140848018.db2.gz GHTKXZZWDBPGKX-GOSISDBHSA-N 1 2 338.407 3.857 20 0 EHADLO COc1coc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1=O ZINC000267902070 1140848025 /nfs/dbraw/zinc/84/80/25/1140848025.db2.gz GHTKXZZWDBPGKX-GOSISDBHSA-N 1 2 338.407 3.857 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000268022067 1140868608 /nfs/dbraw/zinc/86/86/08/1140868608.db2.gz WBDOKZOOOMFHLX-OAHLLOKOSA-N 1 2 334.485 3.615 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000268022067 1140868620 /nfs/dbraw/zinc/86/86/20/1140868620.db2.gz WBDOKZOOOMFHLX-OAHLLOKOSA-N 1 2 334.485 3.615 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268325730 1140920586 /nfs/dbraw/zinc/92/05/86/1140920586.db2.gz AQXJXJICAJZSMC-UHFFFAOYSA-N 1 2 346.406 3.749 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268355719 1140925827 /nfs/dbraw/zinc/92/58/27/1140925827.db2.gz RTMWJSRFHVSBLQ-AOIWGVFYSA-N 1 2 340.471 3.669 20 0 EHADLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)s1 ZINC000268537450 1140953087 /nfs/dbraw/zinc/95/30/87/1140953087.db2.gz KGDWSZVLMFDLMU-LBPRGKRZSA-N 1 2 348.859 4.000 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)o1 ZINC000268738975 1140980236 /nfs/dbraw/zinc/98/02/36/1140980236.db2.gz PECXKJNPAYIVJB-JTQLQIEISA-N 1 2 338.333 3.754 20 0 EHADLO Cc1c(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cnn1C ZINC000268913769 1141023513 /nfs/dbraw/zinc/02/35/13/1141023513.db2.gz OWATYGJVFKFEED-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1c(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cnn1C ZINC000268913769 1141023521 /nfs/dbraw/zinc/02/35/21/1141023521.db2.gz OWATYGJVFKFEED-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc([S@@](C)=O)cc1 ZINC000268959330 1141034224 /nfs/dbraw/zinc/03/42/24/1141034224.db2.gz FGRYEQZZCTZXIB-GTUYJWLHSA-N 1 2 348.415 3.750 20 0 EHADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269761018 1141142608 /nfs/dbraw/zinc/14/26/08/1141142608.db2.gz XIKLLHSUPLXNGV-UHFFFAOYSA-N 1 2 342.830 3.593 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000270012415 1141168254 /nfs/dbraw/zinc/16/82/54/1141168254.db2.gz AXCCVFZGFAKTHJ-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc([C@@H]3CCCO3)s2)o1 ZINC000270051235 1141172971 /nfs/dbraw/zinc/17/29/71/1141172971.db2.gz FAKHAPQPRBYXIJ-HOCLYGCPSA-N 1 2 336.457 3.627 20 0 EHADLO CC[C@H](SC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270182120 1141189540 /nfs/dbraw/zinc/18/95/40/1141189540.db2.gz BRDORCAGNRBVPD-INIZCTEOSA-N 1 2 327.453 3.682 20 0 EHADLO CC(C)n1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000270226351 1141194548 /nfs/dbraw/zinc/19/45/48/1141194548.db2.gz QDJITHAOOGAXLT-UHFFFAOYSA-N 1 2 333.439 3.991 20 0 EHADLO CC1=CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000270345202 1141210106 /nfs/dbraw/zinc/21/01/06/1141210106.db2.gz OPRDHNIBJKTNDN-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO CC1=CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000270345202 1141210101 /nfs/dbraw/zinc/21/01/01/1141210101.db2.gz OPRDHNIBJKTNDN-UHFFFAOYSA-N 1 2 332.753 3.949 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCSCC1 ZINC000270464345 1141227523 /nfs/dbraw/zinc/22/75/23/1141227523.db2.gz MMZPMUBHWVNKRM-UHFFFAOYSA-N 1 2 339.464 3.684 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000270493559 1141232084 /nfs/dbraw/zinc/23/20/84/1141232084.db2.gz RZIDODDTIXHOOA-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)cc1OC ZINC000270645119 1141250328 /nfs/dbraw/zinc/25/03/28/1141250328.db2.gz SIYYSIPOVPVEMK-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)cc1OC ZINC000270645119 1141250334 /nfs/dbraw/zinc/25/03/34/1141250334.db2.gz SIYYSIPOVPVEMK-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270717976 1141260834 /nfs/dbraw/zinc/26/08/34/1141260834.db2.gz WCHHOHAWHHKPME-UWWQBHOKSA-N 1 2 338.455 3.622 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270717972 1141261061 /nfs/dbraw/zinc/26/10/61/1141261061.db2.gz WCHHOHAWHHKPME-QGPMSJSTSA-N 1 2 338.455 3.622 20 0 EHADLO COCc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000271112077 1141308901 /nfs/dbraw/zinc/30/89/01/1141308901.db2.gz DWMHZWUBEWTBOD-SFHVURJKSA-N 1 2 325.412 3.650 20 0 EHADLO COCc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000271112077 1141308907 /nfs/dbraw/zinc/30/89/07/1141308907.db2.gz DWMHZWUBEWTBOD-SFHVURJKSA-N 1 2 325.412 3.650 20 0 EHADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271118447 1141309497 /nfs/dbraw/zinc/30/94/97/1141309497.db2.gz KJMOMBVYCUTOSH-YOEHRIQHSA-N 1 2 349.434 3.546 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271174454 1141319056 /nfs/dbraw/zinc/31/90/56/1141319056.db2.gz JQRFIDIETFCZRG-JTQLQIEISA-N 1 2 335.502 3.674 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(C)nc3sc(C)nn23)s1 ZINC000271174454 1141319062 /nfs/dbraw/zinc/31/90/62/1141319062.db2.gz JQRFIDIETFCZRG-JTQLQIEISA-N 1 2 335.502 3.674 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271289465 1141340051 /nfs/dbraw/zinc/34/00/51/1141340051.db2.gz FFKPFSAUKKDZIY-SJORKVTESA-N 1 2 346.434 3.594 20 0 EHADLO Cc1ccc(CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C2CC2)cc1C ZINC000271312535 1141343993 /nfs/dbraw/zinc/34/39/93/1141343993.db2.gz MHRYIMDBUMSGEE-UHFFFAOYSA-N 1 2 346.434 3.689 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)[nH]1 ZINC000271343398 1141347939 /nfs/dbraw/zinc/34/79/39/1141347939.db2.gz OTCRCWYTDPGXEG-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)[nH]1 ZINC000271343398 1141347946 /nfs/dbraw/zinc/34/79/46/1141347946.db2.gz OTCRCWYTDPGXEG-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC000271343398 1141347953 /nfs/dbraw/zinc/34/79/53/1141347953.db2.gz OTCRCWYTDPGXEG-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC000271343398 1141347960 /nfs/dbraw/zinc/34/79/60/1141347960.db2.gz OTCRCWYTDPGXEG-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)n[nH]1 ZINC000271343398 1141347967 /nfs/dbraw/zinc/34/79/67/1141347967.db2.gz OTCRCWYTDPGXEG-GFCCVEGCSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3c(F)cccc3Cl)c(C)n2n1 ZINC000271374099 1141353322 /nfs/dbraw/zinc/35/33/22/1141353322.db2.gz HCRIZIFNEJZNRX-NSHDSACASA-N 1 2 332.810 3.989 20 0 EHADLO CCC[C@@](C)(CC)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274573571 1141364698 /nfs/dbraw/zinc/36/46/98/1141364698.db2.gz UCCPEPQRAKAQPZ-OAHLLOKOSA-N 1 2 334.426 3.832 20 0 EHADLO CCC[C@@](C)(CC)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274573571 1141364702 /nfs/dbraw/zinc/36/47/02/1141364702.db2.gz UCCPEPQRAKAQPZ-OAHLLOKOSA-N 1 2 334.426 3.832 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)cc1OC ZINC000271664588 1141415441 /nfs/dbraw/zinc/41/54/41/1141415441.db2.gz LXGIAGFABLPTGI-LBPRGKRZSA-N 1 2 335.473 3.885 20 0 EHADLO Cc1cn2cc(NC(=O)CSCc3cccc(C)c3)ccc2[nH+]1 ZINC000339119023 1141502283 /nfs/dbraw/zinc/50/22/83/1141502283.db2.gz PDBQTOOZVHMZHA-UHFFFAOYSA-N 1 2 325.437 3.823 20 0 EHADLO CCc1nc2ccccc2c(C(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000339223510 1141533445 /nfs/dbraw/zinc/53/34/45/1141533445.db2.gz ATYXXNKISUEJBT-UHFFFAOYSA-N 1 2 344.418 3.683 20 0 EHADLO CCn1nc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)c2ccccc21 ZINC000274477698 1141540483 /nfs/dbraw/zinc/54/04/83/1141540483.db2.gz WZRAFUJIQOMVGH-SFHVURJKSA-N 1 2 345.393 3.812 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000348632462 1141557761 /nfs/dbraw/zinc/55/77/61/1141557761.db2.gz HVOGUKCDMKARCN-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000283317643 1141596686 /nfs/dbraw/zinc/59/66/86/1141596686.db2.gz ZLBUMAAPJMOLQS-ZSEKCTLFSA-N 1 2 343.279 3.598 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1F ZINC000348909932 1141608279 /nfs/dbraw/zinc/60/82/79/1141608279.db2.gz ULCLCHZGEYHBTL-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000349046978 1141628277 /nfs/dbraw/zinc/62/82/77/1141628277.db2.gz SJCKJDNKICCCCL-UHFFFAOYSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cccc2c1OCCO2 ZINC000078651422 217095228 /nfs/dbraw/zinc/09/52/28/217095228.db2.gz YSCYYSOADIHAKL-UHFFFAOYSA-N 1 2 348.358 3.897 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000095087617 218278865 /nfs/dbraw/zinc/27/88/65/218278865.db2.gz FHZUADKIBUHEOG-LLVKDONJSA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000095087617 218278867 /nfs/dbraw/zinc/27/88/67/218278867.db2.gz FHZUADKIBUHEOG-LLVKDONJSA-N 1 2 345.896 3.533 20 0 EHADLO Cc1cccc2[nH+]c(CNc3ccn(C4CCSCC4)n3)cn21 ZINC000634569131 480362111 /nfs/dbraw/zinc/36/21/11/480362111.db2.gz NCUULOHLXFBDAD-UHFFFAOYSA-N 1 2 327.457 3.519 20 0 EHADLO c1[nH+]c2ccccn2c1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000579378489 563925751 /nfs/dbraw/zinc/92/57/51/563925751.db2.gz JSCJVNQJRCJEJM-MRXNPFEDSA-N 1 2 337.427 3.712 20 0 EHADLO CC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1Cl ZINC000825435337 608532155 /nfs/dbraw/zinc/53/21/55/608532155.db2.gz UTFXDPLSVKHPPQ-UHFFFAOYSA-N 1 2 333.848 3.604 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1Cl ZINC000825435337 608532157 /nfs/dbraw/zinc/53/21/57/608532157.db2.gz UTFXDPLSVKHPPQ-UHFFFAOYSA-N 1 2 333.848 3.604 20 0 EHADLO OCC1(c2ccccc2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000584288229 1032075549 /nfs/dbraw/zinc/07/55/49/1032075549.db2.gz AKIZCHTWEUJTOE-UHFFFAOYSA-N 1 2 336.410 3.904 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149076 1125485787 /nfs/dbraw/zinc/48/57/87/1125485787.db2.gz WVRKAZQBLPFQOO-HUUCEWRRSA-N 1 2 338.879 3.785 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149076 1125485792 /nfs/dbraw/zinc/48/57/92/1125485792.db2.gz WVRKAZQBLPFQOO-HUUCEWRRSA-N 1 2 338.879 3.785 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663735 1032082513 /nfs/dbraw/zinc/08/25/13/1032082513.db2.gz RVRYXFPXGWPSGY-ZWKOTPCHSA-N 1 2 347.503 3.582 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663735 1032082529 /nfs/dbraw/zinc/08/25/29/1032082529.db2.gz RVRYXFPXGWPSGY-ZWKOTPCHSA-N 1 2 347.503 3.582 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663734 1032083863 /nfs/dbraw/zinc/08/38/63/1032083863.db2.gz RVRYXFPXGWPSGY-ROUUACIJSA-N 1 2 347.503 3.582 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663734 1032083875 /nfs/dbraw/zinc/08/38/75/1032083875.db2.gz RVRYXFPXGWPSGY-ROUUACIJSA-N 1 2 347.503 3.582 20 0 EHADLO COc1ccc(C2(C(=O)Nc3ccc4[nH+]c(C)cn4c3)CCC2)cc1 ZINC000339277071 1014144961 /nfs/dbraw/zinc/14/49/61/1014144961.db2.gz WZNNARLPLBNLBJ-UHFFFAOYSA-N 1 2 335.407 3.712 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000460828537 1032084425 /nfs/dbraw/zinc/08/44/25/1032084425.db2.gz JRAHSYFAUHNOAX-OAQYLSRUSA-N 1 2 347.462 3.806 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000339290489 1014167798 /nfs/dbraw/zinc/16/77/98/1014167798.db2.gz POESLHKINZJARI-UHFFFAOYSA-N 1 2 342.483 3.593 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000339290489 1014167803 /nfs/dbraw/zinc/16/78/03/1014167803.db2.gz POESLHKINZJARI-UHFFFAOYSA-N 1 2 342.483 3.593 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000351862947 1014174138 /nfs/dbraw/zinc/17/41/38/1014174138.db2.gz PRJBMQVFUMXQPV-UHFFFAOYSA-N 1 2 339.863 3.906 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)ccc1OC(F)F ZINC000044590653 1014185572 /nfs/dbraw/zinc/18/55/72/1014185572.db2.gz CXUWGPKJQZTGCW-AWEZNQCLSA-N 1 2 338.354 3.930 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)ccc1OC(F)F ZINC000044590653 1014185578 /nfs/dbraw/zinc/18/55/78/1014185578.db2.gz CXUWGPKJQZTGCW-AWEZNQCLSA-N 1 2 338.354 3.930 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(Cl)c1Br ZINC000683080650 1014211240 /nfs/dbraw/zinc/21/12/40/1014211240.db2.gz NXGKSMRLKDTQEC-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO Cc1ccc(C)c(SCc2noc(C[C@H](C)n3cc[nH+]c3)n2)c1 ZINC000579718683 1014251709 /nfs/dbraw/zinc/25/17/09/1014251709.db2.gz LIEQTMWEARIXFT-AWEZNQCLSA-N 1 2 328.441 3.979 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1C ZINC000339378874 1014299141 /nfs/dbraw/zinc/29/91/41/1014299141.db2.gz QUHPBZZKYMWIIN-HNNXBMFYSA-N 1 2 342.414 3.645 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c1C ZINC000339378874 1014299147 /nfs/dbraw/zinc/29/91/47/1014299147.db2.gz QUHPBZZKYMWIIN-HNNXBMFYSA-N 1 2 342.414 3.645 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000339409927 1014372661 /nfs/dbraw/zinc/37/26/61/1014372661.db2.gz CRIVCBZPECKVKB-UHFFFAOYSA-N 1 2 348.450 3.801 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000654847237 1014479093 /nfs/dbraw/zinc/47/90/93/1014479093.db2.gz DXTCMOCBBCQMTR-KEYYUXOJSA-N 1 2 329.444 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000654847237 1014479100 /nfs/dbraw/zinc/47/91/00/1014479100.db2.gz DXTCMOCBBCQMTR-KEYYUXOJSA-N 1 2 329.444 3.744 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000339457451 1014519582 /nfs/dbraw/zinc/51/95/82/1014519582.db2.gz LODDNHCQVKRYGK-MRXNPFEDSA-N 1 2 344.377 3.577 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000339457451 1014519595 /nfs/dbraw/zinc/51/95/95/1014519595.db2.gz LODDNHCQVKRYGK-MRXNPFEDSA-N 1 2 344.377 3.577 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000119012368 1014708167 /nfs/dbraw/zinc/70/81/67/1014708167.db2.gz OPBMLNFWKFJNLI-KRWDZBQOSA-N 1 2 335.398 3.845 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000579809534 1014734190 /nfs/dbraw/zinc/73/41/90/1014734190.db2.gz JAGMKHDMLJRJJX-GOSISDBHSA-N 1 2 337.467 3.722 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000579809534 1014734202 /nfs/dbraw/zinc/73/42/02/1014734202.db2.gz JAGMKHDMLJRJJX-GOSISDBHSA-N 1 2 337.467 3.722 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728197611 1014945110 /nfs/dbraw/zinc/94/51/10/1014945110.db2.gz FRXCNIOHZGXITD-FXAWDEMLSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728197611 1014945117 /nfs/dbraw/zinc/94/51/17/1014945117.db2.gz FRXCNIOHZGXITD-FXAWDEMLSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)c(F)c1 ZINC000634580948 1015012884 /nfs/dbraw/zinc/01/28/84/1015012884.db2.gz NEJIUTVPNMJMCA-SJKOYZFVSA-N 1 2 336.357 3.901 20 0 EHADLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000634580937 1015013281 /nfs/dbraw/zinc/01/32/81/1015013281.db2.gz NBVCEHPSNGAAFG-IINYFYTJSA-N 1 2 339.773 3.502 20 0 EHADLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(Cl)s1 ZINC000008161008 1015015133 /nfs/dbraw/zinc/01/51/33/1015015133.db2.gz HKWMSLLYOSWXHL-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(Cl)s1 ZINC000008161008 1015015141 /nfs/dbraw/zinc/01/51/41/1015015141.db2.gz HKWMSLLYOSWXHL-UHFFFAOYSA-N 1 2 343.279 3.803 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000536672975 1032108800 /nfs/dbraw/zinc/10/88/00/1032108800.db2.gz FNNKIVSDMXRQSP-KRWDZBQOSA-N 1 2 332.831 3.733 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000536672975 1032108809 /nfs/dbraw/zinc/10/88/09/1032108809.db2.gz FNNKIVSDMXRQSP-KRWDZBQOSA-N 1 2 332.831 3.733 20 0 EHADLO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000126986545 1015154778 /nfs/dbraw/zinc/15/47/78/1015154778.db2.gz IQQWKGYPRPDCNH-MRXNPFEDSA-N 1 2 348.397 3.612 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1nnc(C)s1 ZINC000274798503 1015215290 /nfs/dbraw/zinc/21/52/90/1015215290.db2.gz OADQENKOFOPUCK-GFCCVEGCSA-N 1 2 340.452 3.768 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000655360805 1015410984 /nfs/dbraw/zinc/41/09/84/1015410984.db2.gz OXFXCRMRNWOTGC-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cs1 ZINC000339657375 1015472934 /nfs/dbraw/zinc/47/29/34/1015472934.db2.gz KSEIURGDHYNUNV-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cs1 ZINC000339657375 1015472941 /nfs/dbraw/zinc/47/29/41/1015472941.db2.gz KSEIURGDHYNUNV-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ncc(Br)s1 ZINC000339680237 1015498789 /nfs/dbraw/zinc/49/87/89/1015498789.db2.gz CKPKGSJTPSXFNU-SRVKXCTJSA-N 1 2 346.338 3.819 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2csc(-c3ccc(OC)cc3)n2)cn1 ZINC000154532295 1015513797 /nfs/dbraw/zinc/51/37/97/1015513797.db2.gz JGXUUCUUMLUAHY-ZDUSSCGKSA-N 1 2 342.468 3.886 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)c1C ZINC000179653630 1015528413 /nfs/dbraw/zinc/52/84/13/1015528413.db2.gz KBMGHGXWTYCNEZ-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)c1C ZINC000179653630 1015528419 /nfs/dbraw/zinc/52/84/19/1015528419.db2.gz KBMGHGXWTYCNEZ-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)n1C ZINC000339730723 1015612942 /nfs/dbraw/zinc/61/29/42/1015612942.db2.gz UQURSAOYKAFAIL-UHFFFAOYSA-N 1 2 346.500 3.583 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cccc(NC(C)=O)c1)CC2 ZINC000339733838 1015615891 /nfs/dbraw/zinc/61/58/91/1015615891.db2.gz MXURYPPBYPBNKZ-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cccc(NC(C)=O)c1)CC2 ZINC000339733838 1015615898 /nfs/dbraw/zinc/61/58/98/1015615898.db2.gz MXURYPPBYPBNKZ-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](CC[S@](=O)c1ccccc1)CC2 ZINC000339734994 1015617978 /nfs/dbraw/zinc/61/79/78/1015617978.db2.gz BBARWHKPNIOFRG-QHCPKHFHSA-N 1 2 349.883 3.515 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](CC[S@](=O)c1ccccc1)CC2 ZINC000339734994 1015617985 /nfs/dbraw/zinc/61/79/85/1015617985.db2.gz BBARWHKPNIOFRG-QHCPKHFHSA-N 1 2 349.883 3.515 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000274967459 1015682840 /nfs/dbraw/zinc/68/28/40/1015682840.db2.gz XPVXSOKYCVHDPQ-TZMCWYRMSA-N 1 2 333.867 3.855 20 0 EHADLO C[N@H+](CCC[NH+]1CCCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598479496 992125336 /nfs/dbraw/zinc/12/53/36/992125336.db2.gz UVEFJOWCTWEFHT-HNNXBMFYSA-N 1 2 345.270 3.537 20 0 EHADLO C[N@@H+](CCC[NH+]1CCCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598479496 992125343 /nfs/dbraw/zinc/12/53/43/992125343.db2.gz UVEFJOWCTWEFHT-HNNXBMFYSA-N 1 2 345.270 3.537 20 0 EHADLO C[N@H+](CCC[NH2+][C@H](C(=O)[O-])c1ccccc1Cl)C1CCCCC1 ZINC001598481658 992161988 /nfs/dbraw/zinc/16/19/88/992161988.db2.gz XCIKOACKPBMZJD-KRWDZBQOSA-N 1 2 338.879 3.710 20 0 EHADLO C[N@@H+](CCC[NH2+][C@H](C(=O)[O-])c1ccccc1Cl)C1CCCCC1 ZINC001598481658 992161994 /nfs/dbraw/zinc/16/19/94/992161994.db2.gz XCIKOACKPBMZJD-KRWDZBQOSA-N 1 2 338.879 3.710 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000179942779 1015763069 /nfs/dbraw/zinc/76/30/69/1015763069.db2.gz GTTBWZGOHXQGAF-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000179942779 1015763064 /nfs/dbraw/zinc/76/30/64/1015763064.db2.gz GTTBWZGOHXQGAF-CQSZACIVSA-N 1 2 335.444 3.731 20 0 EHADLO CC(C)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cn1 ZINC000154706855 1015771402 /nfs/dbraw/zinc/77/14/02/1015771402.db2.gz VNAPOPBZDYKJIM-UHFFFAOYSA-N 1 2 344.484 3.900 20 0 EHADLO CCC1(CC)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000275034849 1015800266 /nfs/dbraw/zinc/80/02/66/1015800266.db2.gz PUNKOMZZKNUQIQ-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000460900955 1032129111 /nfs/dbraw/zinc/12/91/11/1032129111.db2.gz CHMBSTFQAGXBBR-SFHVURJKSA-N 1 2 328.460 3.681 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000547751956 1015832310 /nfs/dbraw/zinc/83/23/10/1015832310.db2.gz YWGAOSNEABSSGZ-WMZOPIPTSA-N 1 2 339.439 3.592 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000048052928 1016052140 /nfs/dbraw/zinc/05/21/40/1016052140.db2.gz ZUENPWCWBKCFDV-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048052928 1016052153 /nfs/dbraw/zinc/05/21/53/1016052153.db2.gz ZUENPWCWBKCFDV-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000081316607 1016052583 /nfs/dbraw/zinc/05/25/83/1016052583.db2.gz MYLZTTXLAOJAEV-FVNWOWOISA-N 1 2 337.448 3.595 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)n1 ZINC000183144910 1032137337 /nfs/dbraw/zinc/13/73/37/1032137337.db2.gz IVMJNNHHNZKDJU-OAHLLOKOSA-N 1 2 339.443 3.695 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)c3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000083977462 1016073322 /nfs/dbraw/zinc/07/33/22/1016073322.db2.gz KUMHATYSMJQKQZ-QHCPKHFHSA-N 1 2 338.354 3.969 20 0 EHADLO C[C@H]1CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H](C)C1 ZINC000183187358 1032142210 /nfs/dbraw/zinc/14/22/10/1032142210.db2.gz UXOZXSOGRNKNFD-HZPDHXFCSA-N 1 2 329.488 3.760 20 0 EHADLO Cc1nc2c3ccccc3oc2c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167126178 1016208950 /nfs/dbraw/zinc/20/89/50/1016208950.db2.gz RRYJIEZIADHRQV-UHFFFAOYSA-N 1 2 333.395 3.722 20 0 EHADLO CCOc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289320 1016327283 /nfs/dbraw/zinc/32/72/83/1016327283.db2.gz MYZHDQODPHYCNY-UHFFFAOYSA-N 1 2 345.468 3.780 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCC[C@H]1C ZINC000340132672 1016388895 /nfs/dbraw/zinc/38/88/95/1016388895.db2.gz ZKVAEHIMILRPMF-VQIMIIECSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)(C)c1ccc(N2CCO[C@@H](COc3ccccc3)C2)[nH+]c1 ZINC001167157301 1016393126 /nfs/dbraw/zinc/39/31/26/1016393126.db2.gz SRLMOKNCVBNZKX-GOSISDBHSA-N 1 2 326.440 3.663 20 0 EHADLO Fc1cccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1F ZINC000430357133 1016449915 /nfs/dbraw/zinc/44/99/15/1016449915.db2.gz VLQVANGVRXKQIM-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO Fc1cccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1F ZINC000430357133 1016449926 /nfs/dbraw/zinc/44/99/26/1016449926.db2.gz VLQVANGVRXKQIM-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO CCO[C@H](c1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041969 1016468293 /nfs/dbraw/zinc/46/82/93/1016468293.db2.gz SAUJRSICAKAAFV-IRXDYDNUSA-N 1 2 327.428 3.885 20 0 EHADLO CCO[C@H](c1noc([C@@H]2CC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC000924041969 1016468304 /nfs/dbraw/zinc/46/83/04/1016468304.db2.gz SAUJRSICAKAAFV-IRXDYDNUSA-N 1 2 327.428 3.885 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000361382428 1016507965 /nfs/dbraw/zinc/50/79/65/1016507965.db2.gz VOXLOVZNCBHLFW-INIZCTEOSA-N 1 2 327.827 3.669 20 0 EHADLO COCC1(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000361382428 1016507973 /nfs/dbraw/zinc/50/79/73/1016507973.db2.gz VOXLOVZNCBHLFW-INIZCTEOSA-N 1 2 327.827 3.669 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@H](C)[N@H+]1C ZINC000652366490 1016547833 /nfs/dbraw/zinc/54/78/33/1016547833.db2.gz YNYHNUDSBRWODN-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@H](C)[N@@H+]1C ZINC000652366490 1016547850 /nfs/dbraw/zinc/54/78/50/1016547850.db2.gz YNYHNUDSBRWODN-TXEJJXNPSA-N 1 2 349.887 3.628 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1F ZINC000683387939 1016564483 /nfs/dbraw/zinc/56/44/83/1016564483.db2.gz KZJCZKUQDBCTML-UHFFFAOYSA-N 1 2 344.409 3.739 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1F ZINC000683387939 1016564491 /nfs/dbraw/zinc/56/44/91/1016564491.db2.gz KZJCZKUQDBCTML-UHFFFAOYSA-N 1 2 344.409 3.739 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(Br)cc2)cs1 ZINC000042366949 1038220935 /nfs/dbraw/zinc/22/09/35/1038220935.db2.gz ATEQCYOQDBFRSW-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(Br)cc2)cs1 ZINC000042366949 1038220953 /nfs/dbraw/zinc/22/09/53/1038220953.db2.gz ATEQCYOQDBFRSW-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000706001728 1016839126 /nfs/dbraw/zinc/83/91/26/1016839126.db2.gz SSSCRESYNZVAMH-BLLLJJGKSA-N 1 2 343.814 3.995 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000782954257 1016840396 /nfs/dbraw/zinc/84/03/96/1016840396.db2.gz LXBHQCRISLJBMY-UHFFFAOYSA-N 1 2 338.194 3.918 20 0 EHADLO COc1cc([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc2ccccc21 ZINC000890792758 1016874105 /nfs/dbraw/zinc/87/41/05/1016874105.db2.gz AYPJCMMARZLNNZ-GJZGRUSLSA-N 1 2 337.423 3.873 20 0 EHADLO Fc1ccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c(Cl)c1 ZINC000340294756 1016886802 /nfs/dbraw/zinc/88/68/02/1016886802.db2.gz GIRLFASROBUNGE-AWEZNQCLSA-N 1 2 336.823 3.580 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2cc(Br)ccc2Cl)o1 ZINC000311740163 1016928757 /nfs/dbraw/zinc/92/87/57/1016928757.db2.gz AWSPQKINHJWEOK-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000340320186 1016937557 /nfs/dbraw/zinc/93/75/57/1016937557.db2.gz HOMJILRTQBPMLK-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000340320186 1016937563 /nfs/dbraw/zinc/93/75/63/1016937563.db2.gz HOMJILRTQBPMLK-INIZCTEOSA-N 1 2 348.805 3.788 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1c(F)cccc1F)C2 ZINC000376630369 1016959167 /nfs/dbraw/zinc/95/91/67/1016959167.db2.gz ZYLCDCMICONHSJ-NWDGAFQWSA-N 1 2 347.409 3.794 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1c(F)cccc1F)CC2 ZINC000376630369 1016959180 /nfs/dbraw/zinc/95/91/80/1016959180.db2.gz ZYLCDCMICONHSJ-NWDGAFQWSA-N 1 2 347.409 3.794 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000278734934 1032185696 /nfs/dbraw/zinc/18/56/96/1032185696.db2.gz WAXHKGGWNHIPBB-MRXNPFEDSA-N 1 2 346.862 3.542 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000278734934 1032185704 /nfs/dbraw/zinc/18/57/04/1032185704.db2.gz WAXHKGGWNHIPBB-MRXNPFEDSA-N 1 2 346.862 3.542 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3nsc(N(C)C)n3)C2)cc1 ZINC000460978335 1032187413 /nfs/dbraw/zinc/18/74/13/1032187413.db2.gz JMJBNQNLPGMICD-MRXNPFEDSA-N 1 2 344.528 3.792 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3nsc(N(C)C)n3)C2)cc1 ZINC000460978335 1032187423 /nfs/dbraw/zinc/18/74/23/1032187423.db2.gz JMJBNQNLPGMICD-MRXNPFEDSA-N 1 2 344.528 3.792 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC3(CC2)OCCc2ccccc23)s1 ZINC000459496278 1032194962 /nfs/dbraw/zinc/19/49/62/1032194962.db2.gz OCMDULUDJBCSAS-UHFFFAOYSA-N 1 2 343.496 3.726 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000639907568 1032197711 /nfs/dbraw/zinc/19/77/11/1032197711.db2.gz WMWBCXPMRNWOFJ-KMUNFCNLSA-N 1 2 337.370 3.652 20 0 EHADLO Clc1cccnc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000528368524 1032198814 /nfs/dbraw/zinc/19/88/14/1032198814.db2.gz NQSDBOXJMARZDB-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cccnc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000528368524 1032198824 /nfs/dbraw/zinc/19/88/24/1032198824.db2.gz NQSDBOXJMARZDB-INIZCTEOSA-N 1 2 330.815 3.843 20 0 EHADLO C[C@H](NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccn1C ZINC000538207064 1032205471 /nfs/dbraw/zinc/20/54/71/1032205471.db2.gz BIAYXCBZRPWTST-WMLDXEAASA-N 1 2 332.879 3.561 20 0 EHADLO Cc1cc2[nH+]ccn2c(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000904753048 1032210450 /nfs/dbraw/zinc/21/04/50/1032210450.db2.gz WMVPZCBOASGRTM-CQSZACIVSA-N 1 2 326.371 3.864 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)c(F)c1 ZINC000528395235 1032220147 /nfs/dbraw/zinc/22/01/47/1032220147.db2.gz JUEUXASMQKBZJS-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)c(F)c1 ZINC000528395235 1032220156 /nfs/dbraw/zinc/22/01/56/1032220156.db2.gz JUEUXASMQKBZJS-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000459523349 1032243393 /nfs/dbraw/zinc/24/33/93/1032243393.db2.gz IXYYWUZDVGQCCP-DIFFPNOSSA-N 1 2 331.485 3.581 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000459523349 1032243408 /nfs/dbraw/zinc/24/34/08/1032243408.db2.gz IXYYWUZDVGQCCP-DIFFPNOSSA-N 1 2 331.485 3.581 20 0 EHADLO COc1ccc([C@H](OC)[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000536767670 1032259560 /nfs/dbraw/zinc/25/95/60/1032259560.db2.gz LZAKJZACEKBRKW-RDTXWAMCSA-N 1 2 329.444 3.527 20 0 EHADLO COc1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)on1 ZINC000659820248 1017072008 /nfs/dbraw/zinc/07/20/08/1017072008.db2.gz DUPPJDREXKTODU-UHFFFAOYSA-N 1 2 337.217 3.610 20 0 EHADLO COc1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)on1 ZINC000659820248 1017072020 /nfs/dbraw/zinc/07/20/20/1017072020.db2.gz DUPPJDREXKTODU-UHFFFAOYSA-N 1 2 337.217 3.610 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC000568753013 1032265214 /nfs/dbraw/zinc/26/52/14/1032265214.db2.gz KOEGCMKCGISEMQ-CQSZACIVSA-N 1 2 331.847 3.894 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184382906 1032289888 /nfs/dbraw/zinc/28/98/88/1032289888.db2.gz PNBUTHXXCUURRU-HNNXBMFYSA-N 1 2 343.386 3.593 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cccnc2C(F)(F)F)o1 ZINC000528439038 1032300403 /nfs/dbraw/zinc/30/04/03/1032300403.db2.gz FQKLSBJEFPPYMN-CYBMUJFWSA-N 1 2 328.334 3.733 20 0 EHADLO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459591547 1032311782 /nfs/dbraw/zinc/31/17/82/1032311782.db2.gz LLRNEGZTOUWRBE-MRXNPFEDSA-N 1 2 348.878 3.612 20 0 EHADLO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459591547 1032311792 /nfs/dbraw/zinc/31/17/92/1032311792.db2.gz LLRNEGZTOUWRBE-MRXNPFEDSA-N 1 2 348.878 3.612 20 0 EHADLO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459592641 1032312248 /nfs/dbraw/zinc/31/22/48/1032312248.db2.gz NKWSDYUMKYWZDH-MRXNPFEDSA-N 1 2 329.835 3.677 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1C[C@@H]1C1CCCC1 ZINC000653032362 1032325669 /nfs/dbraw/zinc/32/56/69/1032325669.db2.gz OUSUZVIIQOXAAD-TVFCKZIOSA-N 1 2 327.472 3.747 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184876363 1032327450 /nfs/dbraw/zinc/32/74/50/1032327450.db2.gz BUAZZGIUUPSHDW-ZOBUZTSGSA-N 1 2 341.455 3.687 20 0 EHADLO Cc1nc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000081571248 1032331972 /nfs/dbraw/zinc/33/19/72/1032331972.db2.gz DMDLZWVBARPMSH-HNNXBMFYSA-N 1 2 333.432 3.502 20 0 EHADLO Cc1nc(C)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000081571248 1032331981 /nfs/dbraw/zinc/33/19/81/1032331981.db2.gz DMDLZWVBARPMSH-HNNXBMFYSA-N 1 2 333.432 3.502 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)o2)cc1 ZINC000081575060 1032332898 /nfs/dbraw/zinc/33/28/98/1032332898.db2.gz ODKBKZHIXGEVCO-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)o2)cc1 ZINC000081575060 1032332905 /nfs/dbraw/zinc/33/29/05/1032332905.db2.gz ODKBKZHIXGEVCO-LIRRHRJNSA-N 1 2 335.407 3.938 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccco1 ZINC000528466967 1032335855 /nfs/dbraw/zinc/33/58/55/1032335855.db2.gz YTNLRHIBSVTNFI-INIZCTEOSA-N 1 2 341.455 3.865 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185034319 1032341035 /nfs/dbraw/zinc/34/10/35/1032341035.db2.gz MRYNNMIVBHPTFY-TZMCWYRMSA-N 1 2 349.525 3.700 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(Cl)c1 ZINC000459631616 1032347015 /nfs/dbraw/zinc/34/70/15/1032347015.db2.gz IQANFAXXEHJOLC-NSHDSACASA-N 1 2 349.887 3.883 20 0 EHADLO Cc1cc2occ(C(=O)NC3CCN(c4cccc[nH+]4)CC3)c2cc1C ZINC000185185823 1032358119 /nfs/dbraw/zinc/35/81/19/1032358119.db2.gz ORZZDTBAAVLSOU-UHFFFAOYSA-N 1 2 349.434 3.843 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799099 1032366264 /nfs/dbraw/zinc/36/62/64/1032366264.db2.gz ZOGWWMZQALRFEA-WMZOPIPTSA-N 1 2 343.471 3.616 20 0 EHADLO C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H](C)c1ccccc1 ZINC000083229205 1032392460 /nfs/dbraw/zinc/39/24/60/1032392460.db2.gz MMXLOUFJLCTSTK-IAGOWNOFSA-N 1 2 348.450 3.864 20 0 EHADLO CC(C)c1nnc(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)s1 ZINC000528519424 1032394789 /nfs/dbraw/zinc/39/47/89/1032394789.db2.gz NFZWVNQAELEAAJ-UHFFFAOYSA-N 1 2 345.512 3.969 20 0 EHADLO CC(C)c1nnc(C[N@@H+](Cc2ccccc2)C2(CO)CCCC2)s1 ZINC000528519424 1032394800 /nfs/dbraw/zinc/39/48/00/1032394800.db2.gz NFZWVNQAELEAAJ-UHFFFAOYSA-N 1 2 345.512 3.969 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[nH]1 ZINC000459666612 1032395329 /nfs/dbraw/zinc/39/53/29/1032395329.db2.gz CFWXGKNGQXQAMN-UHFFFAOYSA-N 1 2 330.329 3.550 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3ccccc3OC(C)C)[nH+]c12 ZINC000083952959 1032409007 /nfs/dbraw/zinc/40/90/07/1032409007.db2.gz QNNWBWXIBQTYPG-DEOSSOPVSA-N 1 2 342.464 3.879 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)[nH]1 ZINC000459677043 1032405547 /nfs/dbraw/zinc/40/55/47/1032405547.db2.gz MJIWTSMPJFLGGT-UHFFFAOYSA-N 1 2 345.447 3.655 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@H+](Cc3coc(S(C)(=O)=O)c3)C2)cc1 ZINC000528504364 1032408526 /nfs/dbraw/zinc/40/85/26/1032408526.db2.gz MPCAPZCKNGCAPO-GOSISDBHSA-N 1 2 347.480 3.625 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@@H+](Cc3coc(S(C)(=O)=O)c3)C2)cc1 ZINC000528504364 1032408537 /nfs/dbraw/zinc/40/85/37/1032408537.db2.gz MPCAPZCKNGCAPO-GOSISDBHSA-N 1 2 347.480 3.625 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cncc(C3CC3)c2)cs1 ZINC001168108291 1032427605 /nfs/dbraw/zinc/42/76/05/1032427605.db2.gz HDCCEZMUPGVMAL-UHFFFAOYSA-N 1 2 348.541 3.822 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 ZINC000278760593 1032436551 /nfs/dbraw/zinc/43/65/51/1032436551.db2.gz MRECRULEQWNATP-OAHLLOKOSA-N 1 2 346.299 3.856 20 0 EHADLO C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2c1 ZINC000084581262 1032443816 /nfs/dbraw/zinc/44/38/16/1032443816.db2.gz DYWXTLNMTNPICN-MRXNPFEDSA-N 1 2 347.462 3.835 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000459755455 1032449252 /nfs/dbraw/zinc/44/92/52/1032449252.db2.gz ORGNQXYHSVMWJY-ZDUSSCGKSA-N 1 2 349.475 3.718 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000459755455 1032449258 /nfs/dbraw/zinc/44/92/58/1032449258.db2.gz ORGNQXYHSVMWJY-ZDUSSCGKSA-N 1 2 349.475 3.718 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000084763960 1032450913 /nfs/dbraw/zinc/45/09/13/1032450913.db2.gz YMCLYONCMGKQSK-UHFFFAOYSA-N 1 2 333.863 3.702 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000528583948 1032465994 /nfs/dbraw/zinc/46/59/94/1032465994.db2.gz WRTSUEZHGJOMEW-MVVMVCHASA-N 1 2 345.393 3.813 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000528583948 1032466001 /nfs/dbraw/zinc/46/60/01/1032466001.db2.gz WRTSUEZHGJOMEW-MVVMVCHASA-N 1 2 345.393 3.813 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787685 1032474642 /nfs/dbraw/zinc/47/46/42/1032474642.db2.gz CRDGMTBQAPHGAP-STQMWFEESA-N 1 2 342.505 3.650 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459787685 1032474646 /nfs/dbraw/zinc/47/46/46/1032474646.db2.gz CRDGMTBQAPHGAP-STQMWFEESA-N 1 2 342.505 3.650 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1c(F)cccc1F ZINC000537025026 1032490018 /nfs/dbraw/zinc/49/00/18/1032490018.db2.gz HTRGYMLJAYRSEJ-RBZFPXEDSA-N 1 2 344.405 3.883 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000537058699 1032496072 /nfs/dbraw/zinc/49/60/72/1032496072.db2.gz RUWSTRSRFCFVSZ-UHFFFAOYSA-N 1 2 335.407 3.833 20 0 EHADLO CCOc1nnc(C[N@@H+]2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)s1 ZINC000528623474 1032503088 /nfs/dbraw/zinc/50/30/88/1032503088.db2.gz KCJOFOFRHIMPFP-HNNXBMFYSA-N 1 2 347.484 3.571 20 0 EHADLO CCOc1nnc(C[N@H+]2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)s1 ZINC000528623474 1032503097 /nfs/dbraw/zinc/50/30/97/1032503097.db2.gz KCJOFOFRHIMPFP-HNNXBMFYSA-N 1 2 347.484 3.571 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H](C)c3ccco3)CC2)s1 ZINC000528627075 1032523182 /nfs/dbraw/zinc/52/31/82/1032523182.db2.gz GFVCWTYDNOJMBV-HNNXBMFYSA-N 1 2 346.496 3.742 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccsc2Cl)C[C@H]1c1ccccc1 ZINC000449423429 1032535916 /nfs/dbraw/zinc/53/59/16/1032535916.db2.gz OENAQZFYWHDRRU-HOCLYGCPSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccsc2Cl)C[C@H]1c1ccccc1 ZINC000449423429 1032535921 /nfs/dbraw/zinc/53/59/21/1032535921.db2.gz OENAQZFYWHDRRU-HOCLYGCPSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000449430338 1032546500 /nfs/dbraw/zinc/54/65/00/1032546500.db2.gz VZXXSKYEWZVUNG-GOEBONIOSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000449430338 1032546501 /nfs/dbraw/zinc/54/65/01/1032546501.db2.gz VZXXSKYEWZVUNG-GOEBONIOSA-N 1 2 325.836 3.702 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1c(F)cccc1Cl ZINC000537178157 1032548868 /nfs/dbraw/zinc/54/88/68/1032548868.db2.gz RHYSRKYWQWOSMW-FRRDWIJNSA-N 1 2 326.843 3.919 20 0 EHADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(I)cc1 ZINC000378850565 1017316511 /nfs/dbraw/zinc/31/65/11/1017316511.db2.gz DXRHOSTZMFNPCU-MRVPVSSYSA-N 1 2 325.140 3.597 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1F ZINC000528675096 1032564500 /nfs/dbraw/zinc/56/45/00/1032564500.db2.gz LEQHHIBJHUHHIX-UHFFFAOYSA-N 1 2 347.415 3.971 20 0 EHADLO Cc1cc2cc(C[NH2+][C@H](c3nccn3C)C(C)(C)CO)oc2cc1C ZINC000449440908 1032583608 /nfs/dbraw/zinc/58/36/08/1032583608.db2.gz DINUBKOVBPAJEE-GOSISDBHSA-N 1 2 341.455 3.633 20 0 EHADLO CC(C)n1cc(C2=CCC[N@H+](Cc3c(F)ccc(O)c3F)CC2)nn1 ZINC000449467936 1032588427 /nfs/dbraw/zinc/58/84/27/1032588427.db2.gz CLCDDSDRQNWDDF-UHFFFAOYSA-N 1 2 348.397 3.522 20 0 EHADLO CC(C)c1csc([S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000593007541 1032638463 /nfs/dbraw/zinc/63/84/63/1032638463.db2.gz XTYHQALNRAWOEZ-QHCPKHFHSA-N 1 2 345.493 3.819 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000606368601 1032655554 /nfs/dbraw/zinc/65/55/54/1032655554.db2.gz GZEQMRWWFSLJOV-KRWDZBQOSA-N 1 2 341.480 3.722 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000606368601 1032655562 /nfs/dbraw/zinc/65/55/62/1032655562.db2.gz GZEQMRWWFSLJOV-KRWDZBQOSA-N 1 2 341.480 3.722 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncoc2-c2ccccc2)c(F)cn1 ZINC000376859785 1017159584 /nfs/dbraw/zinc/15/95/84/1017159584.db2.gz NBGSUYDOOBLAHO-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)c1ccncc1F ZINC000340391802 1017166432 /nfs/dbraw/zinc/16/64/32/1017166432.db2.gz IFHOENPQFBVATK-SNVBAGLBSA-N 1 2 344.308 3.979 20 0 EHADLO CS(=O)(=O)CCCC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000683529008 1017262865 /nfs/dbraw/zinc/26/28/65/1017262865.db2.gz IDWPCNSBLALZNX-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO CS(=O)(=O)CCCC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000683529008 1017262871 /nfs/dbraw/zinc/26/28/71/1017262871.db2.gz IDWPCNSBLALZNX-MRXNPFEDSA-N 1 2 329.893 3.692 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606449213 1032688647 /nfs/dbraw/zinc/68/86/47/1032688647.db2.gz QHZUYNKQAFKNRV-GQIGUUNPSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000606449213 1032688660 /nfs/dbraw/zinc/68/86/60/1032688660.db2.gz QHZUYNKQAFKNRV-GQIGUUNPSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450757 1032693688 /nfs/dbraw/zinc/69/36/88/1032693688.db2.gz QAMFZZGPVUTCLZ-HUUCEWRRSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450757 1032693696 /nfs/dbraw/zinc/69/36/96/1032693696.db2.gz QAMFZZGPVUTCLZ-HUUCEWRRSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc2c(s1)CCC2 ZINC000537395267 1032691156 /nfs/dbraw/zinc/69/11/56/1032691156.db2.gz UQKOIWBSRKIKRV-ZDUSSCGKSA-N 1 2 329.469 3.642 20 0 EHADLO Cc1nccn1CC[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000892760074 1017353123 /nfs/dbraw/zinc/35/31/23/1017353123.db2.gz UZWHETUJMPYZQX-UHFFFAOYSA-N 1 2 346.631 3.536 20 0 EHADLO C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000537394869 1032692935 /nfs/dbraw/zinc/69/29/35/1032692935.db2.gz SMCJJNRSJJYSPY-JLTOFOAXSA-N 1 2 341.430 3.793 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CC1 ZINC000606449664 1032695522 /nfs/dbraw/zinc/69/55/22/1032695522.db2.gz AOZGIZSGNLQUKB-KGLIPLIRSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CC1 ZINC000606449664 1032695533 /nfs/dbraw/zinc/69/55/33/1032695533.db2.gz AOZGIZSGNLQUKB-KGLIPLIRSA-N 1 2 330.447 3.534 20 0 EHADLO Cc1cc(NCCc2nnc(-c3ccccc3)o2)nc(C2CCC2)[nH+]1 ZINC000892770626 1017385619 /nfs/dbraw/zinc/38/56/19/1017385619.db2.gz NPCUBBGGQVBRNF-UHFFFAOYSA-N 1 2 335.411 3.757 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCn3ccnc31)CCO2 ZINC000655701650 1017409319 /nfs/dbraw/zinc/40/93/19/1017409319.db2.gz VYMUQFOWKXDKEC-KBPBESRZSA-N 1 2 348.244 3.594 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000613647670 1017426073 /nfs/dbraw/zinc/42/60/73/1017426073.db2.gz NMDWJCQPWTYWFT-WAPOTWQKSA-N 1 2 349.478 3.708 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccco1 ZINC000655743143 1017512699 /nfs/dbraw/zinc/51/26/99/1017512699.db2.gz NSCXFTGWIXAAST-GOSISDBHSA-N 1 2 325.412 3.559 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)n1cc[nH+]c1 ZINC000056483762 1017516821 /nfs/dbraw/zinc/51/68/21/1017516821.db2.gz TVNFPHSSAJCBRP-INIZCTEOSA-N 1 2 335.407 3.704 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000655754426 1017537429 /nfs/dbraw/zinc/53/74/29/1017537429.db2.gz QEYUXBVGLYWNHM-OAHLLOKOSA-N 1 2 338.459 3.581 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000377272184 1017559040 /nfs/dbraw/zinc/55/90/40/1017559040.db2.gz ACTLFPGHKMYRFU-UHFFFAOYSA-N 1 2 325.456 3.557 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000377272184 1017559045 /nfs/dbraw/zinc/55/90/45/1017559045.db2.gz ACTLFPGHKMYRFU-UHFFFAOYSA-N 1 2 325.456 3.557 20 0 EHADLO CCc1ccc([C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C(C)C)cc1 ZINC000655793800 1017617600 /nfs/dbraw/zinc/61/76/00/1017617600.db2.gz CZPHKWURHUSXMZ-SJLPKXTDSA-N 1 2 328.460 3.706 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795475 1017628367 /nfs/dbraw/zinc/62/83/67/1017628367.db2.gz CHIWRRZYSMEECJ-HUUCEWRRSA-N 1 2 334.851 3.941 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCC2 ZINC000655797480 1017635176 /nfs/dbraw/zinc/63/51/76/1017635176.db2.gz OKOMQBUMABJCNX-HZPDHXFCSA-N 1 2 346.862 3.867 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000655797080 1017635881 /nfs/dbraw/zinc/63/58/81/1017635881.db2.gz LANKLRXQMRFPCL-KDOFPFPSSA-N 1 2 349.438 3.569 20 0 EHADLO c1cc(C2CCCC2)ccc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655818593 1017683097 /nfs/dbraw/zinc/68/30/97/1017683097.db2.gz LXPKXZOWBUCCED-KRWDZBQOSA-N 1 2 326.444 3.604 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCCN1c1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC000892907844 1017690875 /nfs/dbraw/zinc/69/08/75/1017690875.db2.gz BVCNUBLVUGRKNS-GOSISDBHSA-N 1 2 335.455 3.825 20 0 EHADLO COCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)o1 ZINC000892917909 1017724154 /nfs/dbraw/zinc/72/41/54/1017724154.db2.gz CTTUGONTXNIYDR-HXUWFJFHSA-N 1 2 338.407 3.579 20 0 EHADLO C[N@H+](Cc1cc(F)c(O)c(F)c1)Cc1ncccc1C(F)(F)F ZINC001140988031 1017730738 /nfs/dbraw/zinc/73/07/38/1017730738.db2.gz KMQWBKPYGDPQPM-UHFFFAOYSA-N 1 2 332.272 3.716 20 0 EHADLO C[N@@H+](Cc1cc(F)c(O)c(F)c1)Cc1ncccc1C(F)(F)F ZINC001140988031 1017730746 /nfs/dbraw/zinc/73/07/46/1017730746.db2.gz KMQWBKPYGDPQPM-UHFFFAOYSA-N 1 2 332.272 3.716 20 0 EHADLO COC(=O)c1c(Cl)cc(Nc2c[nH+]c(C)c(N)c2)cc1Cl ZINC001210293675 1017758314 /nfs/dbraw/zinc/75/83/14/1017758314.db2.gz OSYPLJGVEGHEDL-UHFFFAOYSA-N 1 2 326.183 3.809 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)CCO2 ZINC000449526290 1032724984 /nfs/dbraw/zinc/72/49/84/1032724984.db2.gz VNPVTPFHRKHHED-UHFFFAOYSA-N 1 2 343.471 3.658 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)CCO2 ZINC000449526290 1032725003 /nfs/dbraw/zinc/72/50/03/1032725003.db2.gz VNPVTPFHRKHHED-UHFFFAOYSA-N 1 2 343.471 3.658 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000609196122 1018005357 /nfs/dbraw/zinc/00/53/57/1018005357.db2.gz ZBYFABAXLCYLMJ-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000609196122 1018005368 /nfs/dbraw/zinc/00/53/68/1018005368.db2.gz ZBYFABAXLCYLMJ-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO OC[C@@]1([N@H+](Cc2ccsc2Cl)Cc2ccccc2)CCOC1 ZINC000625391655 1018024493 /nfs/dbraw/zinc/02/44/93/1018024493.db2.gz IHHXUKAFZQUPJD-KRWDZBQOSA-N 1 2 337.872 3.555 20 0 EHADLO OC[C@@]1([N@@H+](Cc2ccsc2Cl)Cc2ccccc2)CCOC1 ZINC000625391655 1018024503 /nfs/dbraw/zinc/02/45/03/1018024503.db2.gz IHHXUKAFZQUPJD-KRWDZBQOSA-N 1 2 337.872 3.555 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892980734 1018039883 /nfs/dbraw/zinc/03/98/83/1018039883.db2.gz GYDHCZZJZRYPFI-ZAMGYDSWSA-N 1 2 329.469 3.963 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377657198 1018133364 /nfs/dbraw/zinc/13/33/64/1018133364.db2.gz UFLDVAQCSJPMOV-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377657198 1018133370 /nfs/dbraw/zinc/13/33/70/1018133370.db2.gz UFLDVAQCSJPMOV-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO COc1ncc(Br)cc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000659857754 1018149683 /nfs/dbraw/zinc/14/96/83/1018149683.db2.gz QAGSICSRXNWJMN-JTQLQIEISA-N 1 2 325.206 3.639 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000659857754 1018149694 /nfs/dbraw/zinc/14/96/94/1018149694.db2.gz QAGSICSRXNWJMN-JTQLQIEISA-N 1 2 325.206 3.639 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3cccc(OCC(C)C)c3)ccn12 ZINC001125402921 1018245992 /nfs/dbraw/zinc/24/59/92/1018245992.db2.gz AOADCWYBEXYRNL-UHFFFAOYSA-N 1 2 337.423 3.608 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3CCCOc4ccccc43)ccc2[nH+]1 ZINC000606569635 1032751640 /nfs/dbraw/zinc/75/16/40/1032751640.db2.gz KRZYXWHHEDBIDN-INIZCTEOSA-N 1 2 336.395 3.678 20 0 EHADLO CC(C)(C)OC(=O)C1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000091982805 1032751776 /nfs/dbraw/zinc/75/17/76/1032751776.db2.gz OVPFNCGYDOFOSO-UHFFFAOYSA-N 1 2 342.443 3.524 20 0 EHADLO Cc1cn2cc(NC(=O)NC3(c4ccc(F)cc4)CCC3)ccc2[nH+]1 ZINC000606568883 1032753167 /nfs/dbraw/zinc/75/31/67/1032753167.db2.gz FTDGQINFFHDWNQ-UHFFFAOYSA-N 1 2 338.386 3.983 20 0 EHADLO Cn1nncc1C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000092038742 1032755961 /nfs/dbraw/zinc/75/59/61/1032755961.db2.gz LNIDHQLSHCEPCL-UHFFFAOYSA-N 1 2 337.254 3.801 20 0 EHADLO CCCC(O)(CCC)CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000584537020 1018322520 /nfs/dbraw/zinc/32/25/20/1018322520.db2.gz YIDBEGWOGGKXOF-QAQDUYKDSA-N 1 2 347.503 3.642 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000897560696 1032767191 /nfs/dbraw/zinc/76/71/91/1032767191.db2.gz UZQWYTXWOZOOFP-ROUUACIJSA-N 1 2 325.456 3.769 20 0 EHADLO c1c(CNc2cc(N3CCSCC3)nc[nH+]2)sc2c1CCCC2 ZINC000580043893 1018542573 /nfs/dbraw/zinc/54/25/73/1018542573.db2.gz XKSWNTXIWFDZGF-UHFFFAOYSA-N 1 2 346.525 3.582 20 0 EHADLO c1c(CNc2cc(N3CCSCC3)[nH+]cn2)sc2c1CCCC2 ZINC000580043893 1018542585 /nfs/dbraw/zinc/54/25/85/1018542585.db2.gz XKSWNTXIWFDZGF-UHFFFAOYSA-N 1 2 346.525 3.582 20 0 EHADLO COCC[N@H+](Cc1ccn(C)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000271063305 1018555769 /nfs/dbraw/zinc/55/57/69/1018555769.db2.gz HKWOEHBXPUEESJ-ZDUSSCGKSA-N 1 2 341.377 3.649 20 0 EHADLO COCC[N@@H+](Cc1ccn(C)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000271063305 1018555778 /nfs/dbraw/zinc/55/57/78/1018555778.db2.gz HKWOEHBXPUEESJ-ZDUSSCGKSA-N 1 2 341.377 3.649 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[NH2+]Cc1cn2ccccc2n1 ZINC000340572765 1018563243 /nfs/dbraw/zinc/56/32/43/1018563243.db2.gz GRZVWDSFHSJJQI-UHFFFAOYSA-N 1 2 336.420 3.763 20 0 EHADLO Cc1cccc(OCCCNC(=O)Nc2ccc3[nH+]ccn3c2)c1C ZINC000683787314 1018568950 /nfs/dbraw/zinc/56/89/50/1018568950.db2.gz ZYYDNWHMIJUOAR-UHFFFAOYSA-N 1 2 338.411 3.542 20 0 EHADLO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000549376638 1018579428 /nfs/dbraw/zinc/57/94/28/1018579428.db2.gz OHJCDNYPTIRGFD-UGSOOPFHSA-N 1 2 342.393 3.783 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2cc[nH+]c3c(OC)cccc23)C12CCOCC2 ZINC000275769034 1018585789 /nfs/dbraw/zinc/58/57/89/1018585789.db2.gz GVAZAZRXXFSCSD-MSOLQXFVSA-N 1 2 342.439 3.630 20 0 EHADLO CCc1c(Cl)nc(-c2ccccc2)nc1N1CCn2c[nH+]cc2C1 ZINC000377978901 1018620363 /nfs/dbraw/zinc/62/03/63/1018620363.db2.gz UYFWYCWSVCKLOO-UHFFFAOYSA-N 1 2 339.830 3.576 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528768658 1032772989 /nfs/dbraw/zinc/77/29/89/1032772989.db2.gz NZNDUZCXPRYDIE-VIFPVBQESA-N 1 2 348.187 3.797 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528768658 1032772994 /nfs/dbraw/zinc/77/29/94/1032772994.db2.gz NZNDUZCXPRYDIE-VIFPVBQESA-N 1 2 348.187 3.797 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc3ccccc3nc2OC)cc1O ZINC000092404916 1032776686 /nfs/dbraw/zinc/77/66/86/1032776686.db2.gz PHCURIXZJPKGEY-UHFFFAOYSA-N 1 2 338.407 3.590 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc3ccccc3nc2OC)cc1O ZINC000092404916 1032776698 /nfs/dbraw/zinc/77/66/98/1032776698.db2.gz PHCURIXZJPKGEY-UHFFFAOYSA-N 1 2 338.407 3.590 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSC(C)(C)C)n2)C1 ZINC000253603252 1018741790 /nfs/dbraw/zinc/74/17/90/1018741790.db2.gz CJYAFQRSKHXXOM-GFCCVEGCSA-N 1 2 341.546 3.845 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSC(C)(C)C)n2)C1 ZINC000253603252 1018741802 /nfs/dbraw/zinc/74/18/02/1018741802.db2.gz CJYAFQRSKHXXOM-GFCCVEGCSA-N 1 2 341.546 3.845 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC(OC3CCCC3)CC2)c(C)[nH+]1 ZINC000333200333 1018748082 /nfs/dbraw/zinc/74/80/82/1018748082.db2.gz QYCHTGZQGWCTPH-UHFFFAOYSA-N 1 2 331.460 3.962 20 0 EHADLO Fc1ccc2c(c1)[C@@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)C2 ZINC000685311208 1032784718 /nfs/dbraw/zinc/78/47/18/1032784718.db2.gz ZANKSWTZEHFJDL-KRWDZBQOSA-N 1 2 332.338 3.749 20 0 EHADLO CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000614389470 1018957548 /nfs/dbraw/zinc/95/75/48/1018957548.db2.gz TXLRADLSAAOFBF-UHFFFAOYSA-N 1 2 347.484 3.571 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000255194120 1019010701 /nfs/dbraw/zinc/01/07/01/1019010701.db2.gz PPWOIBMNMYXWJN-PZWJTGQCSA-N 1 2 341.455 3.526 20 0 EHADLO CC[N@H+](Cc1ccccc1N1CCOCC1)Cc1c(F)cccc1F ZINC000513123183 1019033966 /nfs/dbraw/zinc/03/39/66/1019033966.db2.gz SNTJDLNEQSJLAM-UHFFFAOYSA-N 1 2 346.421 3.824 20 0 EHADLO CC[N@@H+](Cc1ccccc1N1CCOCC1)Cc1c(F)cccc1F ZINC000513123183 1019033980 /nfs/dbraw/zinc/03/39/80/1019033980.db2.gz SNTJDLNEQSJLAM-UHFFFAOYSA-N 1 2 346.421 3.824 20 0 EHADLO Cc1cncc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275844541 1019083144 /nfs/dbraw/zinc/08/31/44/1019083144.db2.gz VGFHGLDNXNXAEB-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000275844541 1019083157 /nfs/dbraw/zinc/08/31/57/1019083157.db2.gz VGFHGLDNXNXAEB-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000606707144 1032806716 /nfs/dbraw/zinc/80/67/16/1032806716.db2.gz KDXYWRKOPRBOLN-PBHICJAKSA-N 1 2 348.397 3.659 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000513148226 1019115988 /nfs/dbraw/zinc/11/59/88/1019115988.db2.gz FKMREORFPLXNHZ-UHFFFAOYSA-N 1 2 349.261 3.911 20 0 EHADLO CNC(=O)c1ccc(C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000513148226 1019116000 /nfs/dbraw/zinc/11/60/00/1019116000.db2.gz FKMREORFPLXNHZ-UHFFFAOYSA-N 1 2 349.261 3.911 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1SC(F)(F)F ZINC000047864117 1019167888 /nfs/dbraw/zinc/16/78/88/1019167888.db2.gz ZGVVADAGJSRBQA-SNVBAGLBSA-N 1 2 344.362 3.705 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cc4ccccc4[nH]3)c[nH+]2)C[C@@H](C)O1 ZINC000683922308 1019252556 /nfs/dbraw/zinc/25/25/56/1019252556.db2.gz BLSIJNVVHXAHMK-HUUCEWRRSA-N 1 2 336.439 3.789 20 0 EHADLO C=CCOc1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000051643404 1019264750 /nfs/dbraw/zinc/26/47/50/1019264750.db2.gz FQQHCGYHEMYIDM-UHFFFAOYSA-N 1 2 341.411 3.594 20 0 EHADLO O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000255504410 1019283998 /nfs/dbraw/zinc/28/39/98/1019283998.db2.gz MWVZAMIHYOMUFZ-KQQSKNTNSA-N 1 2 349.356 3.606 20 0 EHADLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C(C)=O)no1 ZINC000580446778 1019378394 /nfs/dbraw/zinc/37/83/94/1019378394.db2.gz WHEJZZXTBRIFFD-SCLBCKFNSA-N 1 2 328.412 3.859 20 0 EHADLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C(C)=O)no1 ZINC000580446778 1019378412 /nfs/dbraw/zinc/37/84/12/1019378412.db2.gz WHEJZZXTBRIFFD-SCLBCKFNSA-N 1 2 328.412 3.859 20 0 EHADLO F[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000549935669 1019405861 /nfs/dbraw/zinc/40/58/61/1019405861.db2.gz KERGYKPIZPCCAP-NWDGAFQWSA-N 1 2 329.206 3.554 20 0 EHADLO COc1cc(C)ccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001211115756 1019488026 /nfs/dbraw/zinc/48/80/26/1019488026.db2.gz JTWZJKHNJVENGD-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO O=C(Nc1cccnc1)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000340714419 1019585971 /nfs/dbraw/zinc/58/59/71/1019585971.db2.gz WVWDVXJGXJOPIP-UHFFFAOYSA-N 1 2 343.390 3.594 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCSc3ccccc3)CC2)cc1 ZINC000340721436 1019599350 /nfs/dbraw/zinc/59/93/50/1019599350.db2.gz VBTQWSMHAVWWLL-UHFFFAOYSA-N 1 2 340.492 3.545 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471598844 1019709617 /nfs/dbraw/zinc/70/96/17/1019709617.db2.gz ZATLZTAKBJSIAU-RDJZCZTQSA-N 1 2 328.460 3.832 20 0 EHADLO CC1CCC(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000340731124 1019713269 /nfs/dbraw/zinc/71/32/69/1019713269.db2.gz HHWGPMFVSYNKTE-TVPLGVNVSA-N 1 2 346.540 3.719 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000656262102 1019747765 /nfs/dbraw/zinc/74/77/65/1019747765.db2.gz IJCMZEWHGKUHKM-SFTDATJTSA-N 1 2 337.467 3.633 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000656262102 1019747783 /nfs/dbraw/zinc/74/77/83/1019747783.db2.gz IJCMZEWHGKUHKM-SFTDATJTSA-N 1 2 337.467 3.633 20 0 EHADLO FC(F)(F)c1nn(Cc2ccc(-n3cccn3)cc2)c2cc[nH+]cc21 ZINC000092917902 1032854940 /nfs/dbraw/zinc/85/49/40/1032854940.db2.gz XWFKIRQINJJXPQ-UHFFFAOYSA-N 1 2 343.312 3.684 20 0 EHADLO Cc1cnc(OC2CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)nc1 ZINC000656270581 1019838866 /nfs/dbraw/zinc/83/88/66/1019838866.db2.gz HAPJMKVXTXIKRP-UHFFFAOYSA-N 1 2 346.500 3.582 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000513640754 1019899751 /nfs/dbraw/zinc/89/97/51/1019899751.db2.gz ROWPLWZWKBOBCX-FGTMMUONSA-N 1 2 346.519 3.702 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000513640754 1019899770 /nfs/dbraw/zinc/89/97/70/1019899770.db2.gz ROWPLWZWKBOBCX-FGTMMUONSA-N 1 2 346.519 3.702 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000255713939 1019906409 /nfs/dbraw/zinc/90/64/09/1019906409.db2.gz LWYRMOAHRGYWMT-RAXLEYEMSA-N 1 2 349.459 3.854 20 0 EHADLO Oc1cc(F)c(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)cc1F ZINC001211351807 1020054081 /nfs/dbraw/zinc/05/40/81/1020054081.db2.gz DBFHYUYLYSGOPG-OAHLLOKOSA-N 1 2 332.375 3.797 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)o1 ZINC000449608112 1032874069 /nfs/dbraw/zinc/87/40/69/1032874069.db2.gz FCYSZFSMMIKAGC-JTQLQIEISA-N 1 2 339.233 3.859 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000048124192 1020092593 /nfs/dbraw/zinc/09/25/93/1020092593.db2.gz DUIPXARIVRMTFO-GFCCVEGCSA-N 1 2 336.823 3.536 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cscc3s2)C[C@H]1n1cc[nH+]c1 ZINC000528828897 1032878309 /nfs/dbraw/zinc/87/83/09/1032878309.db2.gz PCFBAWCLFYOFAS-WCQYABFASA-N 1 2 331.466 3.883 20 0 EHADLO O=C(CC1(CCc2ccccc2)CCCC1)NCCc1[nH]cc[nH+]1 ZINC000345331519 1020150167 /nfs/dbraw/zinc/15/01/67/1020150167.db2.gz SAVKZEDAPCAFSO-UHFFFAOYSA-N 1 2 325.456 3.652 20 0 EHADLO CC[N@@H+]1CCO[C@H](CN[C@@H](C)c2csc(C)n2)[C@@H]1c1ccccc1 ZINC000345327600 1020174068 /nfs/dbraw/zinc/17/40/68/1020174068.db2.gz JAZXBSHHOSHMII-KYNGSXCRSA-N 1 2 345.512 3.564 20 0 EHADLO CC[N@H+]1CCO[C@H](CN[C@@H](C)c2csc(C)n2)[C@@H]1c1ccccc1 ZINC000345327600 1020174076 /nfs/dbraw/zinc/17/40/76/1020174076.db2.gz JAZXBSHHOSHMII-KYNGSXCRSA-N 1 2 345.512 3.564 20 0 EHADLO COc1cc(F)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1OC ZINC000574283447 1032881903 /nfs/dbraw/zinc/88/19/03/1032881903.db2.gz SAHVXEJEWXNXJQ-UHFFFAOYSA-N 1 2 338.448 3.887 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580900980 1020205743 /nfs/dbraw/zinc/20/57/43/1020205743.db2.gz GITMKKWBAKJMTJ-CVEARBPZSA-N 1 2 345.512 3.892 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580900980 1020205749 /nfs/dbraw/zinc/20/57/49/1020205749.db2.gz GITMKKWBAKJMTJ-CVEARBPZSA-N 1 2 345.512 3.892 20 0 EHADLO O=C(/C=C\C1CCCCC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000255239524 1020296125 /nfs/dbraw/zinc/29/61/25/1020296125.db2.gz HVLDZKQXYIDGII-KTKRTIGZSA-N 1 2 328.456 3.594 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2I)[C@H]1C ZINC000706787660 1020368038 /nfs/dbraw/zinc/36/80/38/1020368038.db2.gz IYOZBTJSFWCUIZ-IUCAKERBSA-N 1 2 335.616 3.785 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2I)[C@H]1C ZINC000706787660 1020368053 /nfs/dbraw/zinc/36/80/53/1020368053.db2.gz IYOZBTJSFWCUIZ-IUCAKERBSA-N 1 2 335.616 3.785 20 0 EHADLO CCC[C@@]1(CO)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000581035182 1020369877 /nfs/dbraw/zinc/36/98/77/1020369877.db2.gz LNSJFUNJJXILFE-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@@]1(CO)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000581035182 1020369883 /nfs/dbraw/zinc/36/98/83/1020369883.db2.gz LNSJFUNJJXILFE-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO CC(C)Oc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160750445 1020391417 /nfs/dbraw/zinc/39/14/17/1020391417.db2.gz DGMZGRVTARHJTC-UHFFFAOYSA-N 1 2 339.443 3.981 20 0 EHADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000581058769 1020393176 /nfs/dbraw/zinc/39/31/76/1020393176.db2.gz KXARFAOYYQUCKI-GFCCVEGCSA-N 1 2 338.390 3.549 20 0 EHADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc(-n2cccn2)c(F)c1 ZINC000581058769 1020393185 /nfs/dbraw/zinc/39/31/85/1020393185.db2.gz KXARFAOYYQUCKI-GFCCVEGCSA-N 1 2 338.390 3.549 20 0 EHADLO F[C@@H]1CCC[C@@H](c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)C1 ZINC000581067420 1020397350 /nfs/dbraw/zinc/39/73/50/1020397350.db2.gz LQHWBWLYDWUZCT-GDBMZVCRSA-N 1 2 345.418 3.565 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000280488649 1020430754 /nfs/dbraw/zinc/43/07/54/1020430754.db2.gz JWUZOFGCIIBRER-UHFFFAOYSA-N 1 2 325.456 3.714 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000340862181 1020482776 /nfs/dbraw/zinc/48/27/76/1020482776.db2.gz NASKXVWHOOVAMB-LAUBAEHRSA-N 1 2 337.467 3.800 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(NCC3CC3)[nH+]cn2)c(C)c1OC ZINC000340882542 1020534691 /nfs/dbraw/zinc/53/46/91/1020534691.db2.gz ADCZCRVJQFCIOF-ZDUSSCGKSA-N 1 2 342.443 3.797 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(NCC3CC3)nc[nH+]2)c(C)c1OC ZINC000340882542 1020534706 /nfs/dbraw/zinc/53/47/06/1020534706.db2.gz ADCZCRVJQFCIOF-ZDUSSCGKSA-N 1 2 342.443 3.797 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccnn2-c2ccccc2C)cs1 ZINC000280664216 1020555211 /nfs/dbraw/zinc/55/52/11/1020555211.db2.gz BXBBPOGHGHKLAA-CQSZACIVSA-N 1 2 342.468 3.634 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000501001586 1020639524 /nfs/dbraw/zinc/63/95/24/1020639524.db2.gz LTKUMWWLHJSHJB-BEFAXECRSA-N 1 2 329.415 3.693 20 0 EHADLO C[C@@H]1SCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000933135621 1020667515 /nfs/dbraw/zinc/66/75/15/1020667515.db2.gz XXBPYIAVNOGBPW-UGSOOPFHSA-N 1 2 337.448 3.882 20 0 EHADLO c1nc2cnccn2c1C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000093898422 1032921723 /nfs/dbraw/zinc/92/17/23/1032921723.db2.gz LDRCUPWZADARLI-UHFFFAOYSA-N 1 2 330.391 3.548 20 0 EHADLO c1nc2cnccn2c1C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000093898422 1032921733 /nfs/dbraw/zinc/92/17/33/1032921733.db2.gz LDRCUPWZADARLI-UHFFFAOYSA-N 1 2 330.391 3.548 20 0 EHADLO CC(C)CC1CC[NH+](Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000760398870 1032930357 /nfs/dbraw/zinc/93/03/57/1032930357.db2.gz PSTMXDHCYIDZGH-UHFFFAOYSA-N 1 2 339.553 3.777 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276191350 1020874469 /nfs/dbraw/zinc/87/44/69/1020874469.db2.gz COAABKDHUPRHAE-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(F)cn1 ZINC000276191350 1020874474 /nfs/dbraw/zinc/87/44/74/1020874474.db2.gz COAABKDHUPRHAE-UHFFFAOYSA-N 1 2 338.430 3.964 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccnc(Oc3cccc(C)c3C)c2)n1C ZINC000341033481 1020889642 /nfs/dbraw/zinc/88/96/42/1020889642.db2.gz WQWHSEPFJAXIOE-UHFFFAOYSA-N 1 2 336.439 3.822 20 0 EHADLO Cc1c[nH+]c(CNCc2ccnc(Oc3cccc(C)c3C)c2)n1C ZINC000341033481 1020889649 /nfs/dbraw/zinc/88/96/49/1020889649.db2.gz WQWHSEPFJAXIOE-UHFFFAOYSA-N 1 2 336.439 3.822 20 0 EHADLO O=C(NC1(C(F)F)CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341130458 1020990821 /nfs/dbraw/zinc/99/08/21/1020990821.db2.gz SBCASBXZDVHHAW-UHFFFAOYSA-N 1 2 333.382 3.629 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000341136551 1021000720 /nfs/dbraw/zinc/00/07/20/1021000720.db2.gz ZVPJRDSRSIMECQ-PELKAZGASA-N 1 2 331.218 3.546 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1[C@@H](C)c1ccccc1 ZINC000072712398 1021016515 /nfs/dbraw/zinc/01/65/15/1021016515.db2.gz OEABGHQCYOVTQR-SJORKVTESA-N 1 2 342.483 3.600 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1[C@@H](C)c1ccccc1 ZINC000072712398 1021016520 /nfs/dbraw/zinc/01/65/20/1021016520.db2.gz OEABGHQCYOVTQR-SJORKVTESA-N 1 2 342.483 3.600 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000449643327 1032951036 /nfs/dbraw/zinc/95/10/36/1032951036.db2.gz AHRIJUINMZHWAC-KGLIPLIRSA-N 1 2 343.496 3.722 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)o1 ZINC000073604701 1021067932 /nfs/dbraw/zinc/06/79/32/1021067932.db2.gz LBHXOLRILITTPH-LJQANCHMSA-N 1 2 328.456 3.918 20 0 EHADLO Cc1nc(N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc[nH+]1 ZINC000593508498 1032951973 /nfs/dbraw/zinc/95/19/73/1032951973.db2.gz GZHPFVNZTCFTDU-JKSUJKDBSA-N 1 2 325.412 3.767 20 0 EHADLO Cc1nc(N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc[nH+]1 ZINC000593508493 1032952047 /nfs/dbraw/zinc/95/20/47/1032952047.db2.gz GZHPFVNZTCFTDU-HOTGVXAUSA-N 1 2 325.412 3.767 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000430610796 1021074750 /nfs/dbraw/zinc/07/47/50/1021074750.db2.gz MFWHMGPILGCMKW-UHFFFAOYSA-N 1 2 349.434 3.980 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000656655442 1021101100 /nfs/dbraw/zinc/10/11/00/1021101100.db2.gz IRXPKSYJYNDHSO-UHFFFAOYSA-N 1 2 343.780 3.767 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581578338 1021109563 /nfs/dbraw/zinc/10/95/63/1021109563.db2.gz XPJHXYSEJQZOKU-UYAOXDASSA-N 1 2 339.483 3.949 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC000341216123 1021115641 /nfs/dbraw/zinc/11/56/41/1021115641.db2.gz FMWOVQCLYHKDDZ-LBPRGKRZSA-N 1 2 344.484 3.551 20 0 EHADLO Cc1cc2c(s1)N(c1cncc3nnoc31)c1ccccc1NC2=[NH2+] ZINC001167472349 1021121491 /nfs/dbraw/zinc/12/14/91/1021121491.db2.gz YBAWVJDDVYMQET-UHFFFAOYSA-N 1 2 348.391 3.808 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341242249 1021162525 /nfs/dbraw/zinc/16/25/25/1021162525.db2.gz ORWXRMUSESDDIQ-UHFFFAOYSA-N 1 2 339.483 3.761 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)cs1 ZINC000518447170 1021185014 /nfs/dbraw/zinc/18/50/14/1021185014.db2.gz PPHHFDWYKIZXPB-SNVBAGLBSA-N 1 2 326.849 3.802 20 0 EHADLO C[N@H+](CCc1nsc2ccccc21)Cc1cnn(-c2ccccc2)n1 ZINC001167475195 1021198893 /nfs/dbraw/zinc/19/88/93/1021198893.db2.gz WSVLWUCKBFENID-UHFFFAOYSA-N 1 2 349.463 3.552 20 0 EHADLO C[N@@H+](CCc1nsc2ccccc21)Cc1cnn(-c2ccccc2)n1 ZINC001167475195 1021198897 /nfs/dbraw/zinc/19/88/97/1021198897.db2.gz WSVLWUCKBFENID-UHFFFAOYSA-N 1 2 349.463 3.552 20 0 EHADLO O[C@@H](C[NH+](Cc1ccco1)Cc1ccco1)c1c(F)cccc1F ZINC000051126554 1021224879 /nfs/dbraw/zinc/22/48/79/1021224879.db2.gz NWSXCPUYMGJWKS-KRWDZBQOSA-N 1 2 333.334 3.887 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000341265022 1021226547 /nfs/dbraw/zinc/22/65/47/1021226547.db2.gz JQMHIRIDKKOPAV-UHFFFAOYSA-N 1 2 347.422 3.742 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@]1(C)CCCS1)Cc1ccccc1Cl ZINC000550285296 1021269869 /nfs/dbraw/zinc/26/98/69/1021269869.db2.gz KBAAIKJVCGAVJC-QGZVFWFLSA-N 1 2 340.920 3.564 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@]1(C)CCCS1)Cc1ccccc1Cl ZINC000550285296 1021269854 /nfs/dbraw/zinc/26/98/54/1021269854.db2.gz KBAAIKJVCGAVJC-QGZVFWFLSA-N 1 2 340.920 3.564 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000076665393 1021285567 /nfs/dbraw/zinc/28/55/67/1021285567.db2.gz DWEFOBJTHJKUMX-HNNXBMFYSA-N 1 2 346.475 3.719 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000076665393 1021285575 /nfs/dbraw/zinc/28/55/75/1021285575.db2.gz DWEFOBJTHJKUMX-HNNXBMFYSA-N 1 2 346.475 3.719 20 0 EHADLO C[C@H](c1noc(-c2ccccc2C[NH+]2CCOCC2)n1)C(C)(C)C ZINC000685315275 1032968775 /nfs/dbraw/zinc/96/87/75/1032968775.db2.gz GGUBALKJZBOWAI-CQSZACIVSA-N 1 2 329.444 3.718 20 0 EHADLO Cn1ncc(C(F)(F)F)c1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000656772628 1021315084 /nfs/dbraw/zinc/31/50/84/1021315084.db2.gz VKBCANNBYVDMTA-UHFFFAOYSA-N 1 2 343.740 3.591 20 0 EHADLO CC1(C)C(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1(C)C ZINC000516383557 1021375147 /nfs/dbraw/zinc/37/51/47/1021375147.db2.gz ZWGPQBKAJMOHCN-UHFFFAOYSA-N 1 2 344.503 3.543 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341316037 1021409351 /nfs/dbraw/zinc/40/93/51/1021409351.db2.gz QGDBXCHHXJSHPO-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000426397034 1021458862 /nfs/dbraw/zinc/45/88/62/1021458862.db2.gz RCUXAGNVMCFUIJ-UHFFFAOYSA-N 1 2 339.222 3.661 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000426397034 1021458868 /nfs/dbraw/zinc/45/88/68/1021458868.db2.gz RCUXAGNVMCFUIJ-UHFFFAOYSA-N 1 2 339.222 3.661 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cnn1C(C)C ZINC000276491662 1021481659 /nfs/dbraw/zinc/48/16/59/1021481659.db2.gz HZYWPQFYZDHOKI-CYBMUJFWSA-N 1 2 334.464 3.926 20 0 EHADLO Cc1ncsc1/C=C/c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345990703 1021482019 /nfs/dbraw/zinc/48/20/19/1021482019.db2.gz ZZOGFQHGVUIPQB-AATRIKPKSA-N 1 2 349.419 3.917 20 0 EHADLO C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000652734024 1021504839 /nfs/dbraw/zinc/50/48/39/1021504839.db2.gz XURIJHMPLWCAJV-SFHVURJKSA-N 1 2 331.847 3.620 20 0 EHADLO C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000652734024 1021504854 /nfs/dbraw/zinc/50/48/54/1021504854.db2.gz XURIJHMPLWCAJV-SFHVURJKSA-N 1 2 331.847 3.620 20 0 EHADLO CCc1[nH]c(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1C(=O)OC ZINC000894383381 1021512438 /nfs/dbraw/zinc/51/24/38/1021512438.db2.gz HTJNTAOPKIYRFZ-IBGZPJMESA-N 1 2 338.407 3.836 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000729479050 1021536477 /nfs/dbraw/zinc/53/64/77/1021536477.db2.gz BNBDGZIFAVPREU-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000729479050 1021536488 /nfs/dbraw/zinc/53/64/88/1021536488.db2.gz BNBDGZIFAVPREU-ZDUSSCGKSA-N 1 2 330.378 3.659 20 0 EHADLO C[C@@]1([NH2+]Cc2nc(C(F)(F)F)cs2)CCOc2ccccc21 ZINC000933375787 1021561118 /nfs/dbraw/zinc/56/11/18/1021561118.db2.gz UKJGGLGGWYVIND-CQSZACIVSA-N 1 2 328.359 3.949 20 0 EHADLO C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000518783472 1021571270 /nfs/dbraw/zinc/57/12/70/1021571270.db2.gz MQEXICFMXMQPGU-MJGOQNOKSA-N 1 2 343.515 3.589 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000519678205 1021603976 /nfs/dbraw/zinc/60/39/76/1021603976.db2.gz SHLMIDVHIUJLOA-IBGZPJMESA-N 1 2 340.471 3.758 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000341378227 1021611615 /nfs/dbraw/zinc/61/16/15/1021611615.db2.gz NJVQZYCMSOMYLI-UHFFFAOYSA-N 1 2 327.409 3.682 20 0 EHADLO CC[C@@H](F)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000440579654 1021615591 /nfs/dbraw/zinc/61/55/91/1021615591.db2.gz SBUJNNRVBQSTEF-VXGBXAGGSA-N 1 2 340.443 3.869 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H](C2CC2)O1 ZINC000684411167 1021664474 /nfs/dbraw/zinc/66/44/74/1021664474.db2.gz CEJGQTYGHCEJEU-LIRRHRJNSA-N 1 2 345.874 3.584 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H](C2CC2)O1 ZINC000684411167 1021664488 /nfs/dbraw/zinc/66/44/88/1021664488.db2.gz CEJGQTYGHCEJEU-LIRRHRJNSA-N 1 2 345.874 3.584 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2csc3c2CC[C@@H](C)C3)c1C ZINC000064998283 1021666316 /nfs/dbraw/zinc/66/63/16/1021666316.db2.gz RWDLEEWGHIVEOU-LLVKDONJSA-N 1 2 344.480 3.823 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](c4ccc(C)cc4C)C3)ccn12 ZINC000516785122 1021728124 /nfs/dbraw/zinc/72/81/24/1021728124.db2.gz ZFLWIVKZLPSFGU-SFHVURJKSA-N 1 2 333.435 3.889 20 0 EHADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC000933430259 1021731593 /nfs/dbraw/zinc/73/15/93/1021731593.db2.gz ZLQYKLKQISOCJF-LLVKDONJSA-N 1 2 328.441 3.723 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccsc1)c1ccccc1 ZINC000440717833 1021737508 /nfs/dbraw/zinc/73/75/08/1021737508.db2.gz VTANZQKOQOIWMY-INIZCTEOSA-N 1 2 337.448 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469459470 1021739568 /nfs/dbraw/zinc/73/95/68/1021739568.db2.gz SQGDLSHJEDQZJU-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469459470 1021739579 /nfs/dbraw/zinc/73/95/79/1021739579.db2.gz SQGDLSHJEDQZJU-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000440772409 1021762249 /nfs/dbraw/zinc/76/22/49/1021762249.db2.gz BCYFTUFUPUSOTO-CQSZACIVSA-N 1 2 345.413 3.560 20 0 EHADLO FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000440772409 1021762272 /nfs/dbraw/zinc/76/22/72/1021762272.db2.gz BCYFTUFUPUSOTO-CQSZACIVSA-N 1 2 345.413 3.560 20 0 EHADLO c1[nH+]cn2ccnc(N3CCC[C@@H](c4nc5ccccc5s4)C3)c12 ZINC000891501816 1021779425 /nfs/dbraw/zinc/77/94/25/1021779425.db2.gz QIFMKIZMRJVKIZ-CYBMUJFWSA-N 1 2 335.436 3.723 20 0 EHADLO Cc1cc(N2C[C@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000341416027 1021797443 /nfs/dbraw/zinc/79/74/43/1021797443.db2.gz ZFJNFJBHAJMQSU-FOIQADDNSA-N 1 2 343.471 3.611 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000516903487 1021824077 /nfs/dbraw/zinc/82/40/77/1021824077.db2.gz JTNAEHFDLRWRMJ-GFCCVEGCSA-N 1 2 343.452 3.657 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000516903487 1021824099 /nfs/dbraw/zinc/82/40/99/1021824099.db2.gz JTNAEHFDLRWRMJ-GFCCVEGCSA-N 1 2 343.452 3.657 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000506729533 1021865734 /nfs/dbraw/zinc/86/57/34/1021865734.db2.gz IWLUOQCCUIXXHC-UHFFFAOYSA-N 1 2 340.467 3.709 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000506729533 1021865746 /nfs/dbraw/zinc/86/57/46/1021865746.db2.gz IWLUOQCCUIXXHC-UHFFFAOYSA-N 1 2 340.467 3.709 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc3cc(F)c(C)cc3s2)c[nH+]1 ZINC000897624919 1033014939 /nfs/dbraw/zinc/01/49/39/1033014939.db2.gz DDOJROPKUWWOKO-UHFFFAOYSA-N 1 2 332.404 3.623 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1nc2ccccc2s1 ZINC000437519475 1021913582 /nfs/dbraw/zinc/91/35/82/1021913582.db2.gz AGPPNQHRPCREFD-DZGCQCFKSA-N 1 2 347.509 3.595 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1nc2ccccc2s1 ZINC000437519475 1021913599 /nfs/dbraw/zinc/91/35/99/1021913599.db2.gz AGPPNQHRPCREFD-DZGCQCFKSA-N 1 2 347.509 3.595 20 0 EHADLO CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000506746139 1021920218 /nfs/dbraw/zinc/92/02/18/1021920218.db2.gz DKEBOHKWCZKRLV-SFHVURJKSA-N 1 2 349.434 3.739 20 0 EHADLO CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000506746139 1021920225 /nfs/dbraw/zinc/92/02/25/1021920225.db2.gz DKEBOHKWCZKRLV-SFHVURJKSA-N 1 2 349.434 3.739 20 0 EHADLO CC[C@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000519196394 1021926509 /nfs/dbraw/zinc/92/65/09/1021926509.db2.gz ALKQNRRCNFUTFJ-APWZRJJASA-N 1 2 345.487 3.876 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441019506 1021933281 /nfs/dbraw/zinc/93/32/81/1021933281.db2.gz XEWSFJCFWRLTAO-HNNXBMFYSA-N 1 2 330.447 3.579 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441019506 1021933289 /nfs/dbraw/zinc/93/32/89/1021933289.db2.gz XEWSFJCFWRLTAO-HNNXBMFYSA-N 1 2 330.447 3.579 20 0 EHADLO Cc1ccc(-c2ccc(C[NH+]3CCN(C(=O)C(C)C)CC3)o2)cc1 ZINC000506069085 1021960103 /nfs/dbraw/zinc/96/01/03/1021960103.db2.gz ASDPJHKCBGSPME-UHFFFAOYSA-N 1 2 326.440 3.555 20 0 EHADLO Oc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3F)CC2)c1 ZINC000437597361 1021969703 /nfs/dbraw/zinc/96/97/03/1021969703.db2.gz AZCBRHLMPYLRQO-UHFFFAOYSA-N 1 2 334.822 3.503 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c2nccn21 ZINC000517072981 1021983354 /nfs/dbraw/zinc/98/33/54/1021983354.db2.gz CZUMVAYBGPCCCN-ONERCXAPSA-N 1 2 340.254 3.909 20 0 EHADLO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc(C2CC2)n1 ZINC000341467054 1022000896 /nfs/dbraw/zinc/00/08/96/1022000896.db2.gz ATZWJRSSMORJPP-UHFFFAOYSA-N 1 2 342.874 3.638 20 0 EHADLO CC[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2c(c1)OCO2 ZINC000142549831 1033025222 /nfs/dbraw/zinc/02/52/22/1033025222.db2.gz IDJPDTDUWCXILQ-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2c(c1)OCO2 ZINC000142549831 1033025233 /nfs/dbraw/zinc/02/52/33/1033025233.db2.gz IDJPDTDUWCXILQ-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548281887 1022040001 /nfs/dbraw/zinc/04/00/01/1022040001.db2.gz XJVOQZNKKOKJCK-SJORKVTESA-N 1 2 340.471 3.675 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000341507845 1022045421 /nfs/dbraw/zinc/04/54/21/1022045421.db2.gz QLVZFSMWFZZQKX-HNNXBMFYSA-N 1 2 345.512 3.750 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)c1 ZINC000506817841 1022087344 /nfs/dbraw/zinc/08/73/44/1022087344.db2.gz CTQBMGLXZQVIMX-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)c1 ZINC000506817841 1022087360 /nfs/dbraw/zinc/08/73/60/1022087360.db2.gz CTQBMGLXZQVIMX-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(C)[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(F)cc1 ZINC000441262027 1022109600 /nfs/dbraw/zinc/10/96/00/1022109600.db2.gz CJMZGBWRMAOSJL-UHFFFAOYSA-N 1 2 331.313 3.724 20 0 EHADLO CC(C)[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(F)cc1 ZINC000441262027 1022109612 /nfs/dbraw/zinc/10/96/12/1022109612.db2.gz CJMZGBWRMAOSJL-UHFFFAOYSA-N 1 2 331.313 3.724 20 0 EHADLO Cc1cncc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000430668516 1022110889 /nfs/dbraw/zinc/11/08/89/1022110889.db2.gz XURLDTKMVVMZKP-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cncc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000430668516 1022110894 /nfs/dbraw/zinc/11/08/94/1022110894.db2.gz XURLDTKMVVMZKP-GOSISDBHSA-N 1 2 327.403 3.522 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(CCC3CCCC3)n2)c1 ZINC000520300623 1022122826 /nfs/dbraw/zinc/12/28/26/1022122826.db2.gz QNISRHQWALYPCD-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO CCN(CC)c1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001137746678 1022141862 /nfs/dbraw/zinc/14/18/62/1022141862.db2.gz ZWEAVFTXATYHGW-UHFFFAOYSA-N 1 2 326.444 3.555 20 0 EHADLO O=c1[nH]c2cccc(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)c2o1 ZINC000891633897 1022166844 /nfs/dbraw/zinc/16/68/44/1022166844.db2.gz MWEVMSWJAQSHRC-MRXNPFEDSA-N 1 2 344.798 3.760 20 0 EHADLO O=c1[nH]c2cccc(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)c2o1 ZINC000891633897 1022166854 /nfs/dbraw/zinc/16/68/54/1022166854.db2.gz MWEVMSWJAQSHRC-MRXNPFEDSA-N 1 2 344.798 3.760 20 0 EHADLO CC(C)n1ccc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000441347026 1022183040 /nfs/dbraw/zinc/18/30/40/1022183040.db2.gz KJOXDWSFQDOMGX-MRXNPFEDSA-N 1 2 346.906 3.996 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000548306659 1022202278 /nfs/dbraw/zinc/20/22/78/1022202278.db2.gz PMZARVPHWMHKAP-UHFFFAOYSA-N 1 2 345.752 3.766 20 0 EHADLO CC[C@H](Nc1ccccc1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000517287823 1022214229 /nfs/dbraw/zinc/21/42/29/1022214229.db2.gz UCRGVDMKTUBBDE-KRWDZBQOSA-N 1 2 341.455 3.556 20 0 EHADLO COc1nccc(C[NH2+]Cc2cc(C)ccc2Br)c1F ZINC000894910089 1022219018 /nfs/dbraw/zinc/21/90/18/1022219018.db2.gz LYRKADFVFORPBQ-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)n1 ZINC000437885485 1022220952 /nfs/dbraw/zinc/22/09/52/1022220952.db2.gz DBRFKZRDXRFSRT-FQEVSTJZSA-N 1 2 339.483 3.725 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)n1 ZINC000437885485 1022220960 /nfs/dbraw/zinc/22/09/60/1022220960.db2.gz DBRFKZRDXRFSRT-FQEVSTJZSA-N 1 2 339.483 3.725 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000506152228 1022221374 /nfs/dbraw/zinc/22/13/74/1022221374.db2.gz GGYSFQYWDFZNEG-UHFFFAOYSA-N 1 2 349.360 3.772 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000112430196 1022248773 /nfs/dbraw/zinc/24/87/73/1022248773.db2.gz PJOYGYFFTKMWRL-GOSISDBHSA-N 1 2 328.460 3.620 20 0 EHADLO CCCCNc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc[nH+]c1 ZINC000157381929 1022257422 /nfs/dbraw/zinc/25/74/22/1022257422.db2.gz ZWVLQDLTDWKOKC-UHFFFAOYSA-N 1 2 340.349 3.753 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528905998 1033050118 /nfs/dbraw/zinc/05/01/18/1033050118.db2.gz WWBZSDPQKSMWRH-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cocc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528905998 1033050131 /nfs/dbraw/zinc/05/01/31/1033050131.db2.gz WWBZSDPQKSMWRH-JKSUJKDBSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000926209251 1022329607 /nfs/dbraw/zinc/32/96/07/1022329607.db2.gz FZMYCIUACCNHLP-CYBMUJFWSA-N 1 2 330.407 3.507 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000926209251 1022329625 /nfs/dbraw/zinc/32/96/25/1022329625.db2.gz FZMYCIUACCNHLP-CYBMUJFWSA-N 1 2 330.407 3.507 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000894982641 1022343538 /nfs/dbraw/zinc/34/35/38/1022343538.db2.gz DYZVQWZWQFDLBR-IBGZPJMESA-N 1 2 349.425 3.757 20 0 EHADLO CCC[N@H+](CC(=O)OC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000471815143 1022369266 /nfs/dbraw/zinc/36/92/66/1022369266.db2.gz HICXMANRUKTSQP-UHFFFAOYSA-N 1 2 328.412 3.567 20 0 EHADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000471815143 1022369279 /nfs/dbraw/zinc/36/92/79/1022369279.db2.gz HICXMANRUKTSQP-UHFFFAOYSA-N 1 2 328.412 3.567 20 0 EHADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000895014037 1022381436 /nfs/dbraw/zinc/38/14/36/1022381436.db2.gz XVGFNNVNXIADMB-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000895014037 1022381452 /nfs/dbraw/zinc/38/14/52/1022381452.db2.gz XVGFNNVNXIADMB-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)n1 ZINC000895014037 1022381465 /nfs/dbraw/zinc/38/14/65/1022381465.db2.gz XVGFNNVNXIADMB-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)n1 ZINC000895014037 1022381477 /nfs/dbraw/zinc/38/14/77/1022381477.db2.gz XVGFNNVNXIADMB-LLVKDONJSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](c3ncc(C)s3)C3CC3)ccc2[nH+]1 ZINC000438114096 1022400049 /nfs/dbraw/zinc/40/00/49/1022400049.db2.gz HMQPTSVHDQLVIY-OAHLLOKOSA-N 1 2 341.440 3.680 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cnn(C3CCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000895018723 1022404009 /nfs/dbraw/zinc/40/40/09/1022404009.db2.gz UPYDGHDTEHDPCE-QZTJIDSGSA-N 1 2 331.847 3.569 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cnn(C3CCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000895018723 1022404017 /nfs/dbraw/zinc/40/40/17/1022404017.db2.gz UPYDGHDTEHDPCE-QZTJIDSGSA-N 1 2 331.847 3.569 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)Oc3ccccc3C)ccc2[nH+]1 ZINC000438133957 1022412013 /nfs/dbraw/zinc/41/20/13/1022412013.db2.gz FOCRKDWWLGUDNH-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C)o1 ZINC000156490399 1022421626 /nfs/dbraw/zinc/42/16/26/1022421626.db2.gz AEZMADGLQICQES-QFBILLFUSA-N 1 2 339.439 3.871 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000891710451 1022423125 /nfs/dbraw/zinc/42/31/25/1022423125.db2.gz NVEMANSWWHCTSO-UHFFFAOYSA-N 1 2 328.359 3.512 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000891710451 1022423129 /nfs/dbraw/zinc/42/31/29/1022423129.db2.gz NVEMANSWWHCTSO-UHFFFAOYSA-N 1 2 328.359 3.512 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc3ccncc32)n1 ZINC000843771501 1022428885 /nfs/dbraw/zinc/42/88/85/1022428885.db2.gz MENWCSDUVQQEBA-UHFFFAOYSA-N 1 2 340.452 3.785 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000458890035 1022437243 /nfs/dbraw/zinc/43/72/43/1022437243.db2.gz UAASIJOWFPOUSV-QGZVFWFLSA-N 1 2 342.418 3.515 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000894520967 1022448018 /nfs/dbraw/zinc/44/80/18/1022448018.db2.gz RHAOOODFCBGPQE-CYBMUJFWSA-N 1 2 338.249 3.764 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000894520967 1022448028 /nfs/dbraw/zinc/44/80/28/1022448028.db2.gz RHAOOODFCBGPQE-CYBMUJFWSA-N 1 2 338.249 3.764 20 0 EHADLO Cc1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cnc1F ZINC000891725228 1022467349 /nfs/dbraw/zinc/46/73/49/1022467349.db2.gz NXDXUZVWDBDETQ-UHFFFAOYSA-N 1 2 348.368 3.902 20 0 EHADLO Cc1sc2nc(C)nc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1C ZINC000328740859 1022478234 /nfs/dbraw/zinc/47/82/34/1022478234.db2.gz NHDOGPGBPPJJAA-CQSZACIVSA-N 1 2 339.468 3.702 20 0 EHADLO COC[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1cccc(Cl)c1 ZINC000894528394 1022483942 /nfs/dbraw/zinc/48/39/42/1022483942.db2.gz SSAJDTNEPWZQPS-ZDUSSCGKSA-N 1 2 328.243 3.513 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(Cl)cc1F ZINC000438242780 1022487328 /nfs/dbraw/zinc/48/73/28/1022487328.db2.gz YJZHLCCQKFYWCA-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000156514215 1022490853 /nfs/dbraw/zinc/49/08/53/1022490853.db2.gz YHBKBQPKUUAWBO-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO Cc1noc2ncc(CN[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc12 ZINC000894531861 1022493203 /nfs/dbraw/zinc/49/32/03/1022493203.db2.gz GEVVEOWSBOVVJU-HNAYVOBHSA-N 1 2 338.455 3.621 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000891738713 1022493614 /nfs/dbraw/zinc/49/36/14/1022493614.db2.gz KBEXMUXATJZBCX-INIZCTEOSA-N 1 2 337.452 3.620 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000891738713 1022493619 /nfs/dbraw/zinc/49/36/19/1022493619.db2.gz KBEXMUXATJZBCX-INIZCTEOSA-N 1 2 337.452 3.620 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1OC ZINC000015547013 1022496208 /nfs/dbraw/zinc/49/62/08/1022496208.db2.gz RUAVPVGCJQOEHB-OAHLLOKOSA-N 1 2 330.453 3.705 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1OC ZINC000015547013 1022496216 /nfs/dbraw/zinc/49/62/16/1022496216.db2.gz RUAVPVGCJQOEHB-OAHLLOKOSA-N 1 2 330.453 3.705 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccco2)s1)[C@H](CC)C(=O)OCC ZINC000425965642 1022497265 /nfs/dbraw/zinc/49/72/65/1022497265.db2.gz JFFNRTMZQDEYIQ-CQSZACIVSA-N 1 2 336.457 3.957 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccco2)s1)[C@H](CC)C(=O)OCC ZINC000425965642 1022497271 /nfs/dbraw/zinc/49/72/71/1022497271.db2.gz JFFNRTMZQDEYIQ-CQSZACIVSA-N 1 2 336.457 3.957 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCc2cccnc2)[nH+]c1 ZINC000150899625 1033058803 /nfs/dbraw/zinc/05/88/03/1033058803.db2.gz KJWSMSJBZQERAB-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO CC(C)c1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ncn1 ZINC000517639928 1022519963 /nfs/dbraw/zinc/51/99/63/1022519963.db2.gz SLYCNJXODLTDPH-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2c2ccccc2)c1C ZINC000051333867 1022547430 /nfs/dbraw/zinc/54/74/30/1022547430.db2.gz GKOYLJIIYQRUPU-GOSISDBHSA-N 1 2 339.439 3.754 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2c2ccsc2)c1C ZINC000051334244 1022550214 /nfs/dbraw/zinc/55/02/14/1022550214.db2.gz LPLDRMONTUZAHP-INIZCTEOSA-N 1 2 345.468 3.815 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528914934 1033064119 /nfs/dbraw/zinc/06/41/19/1033064119.db2.gz BSQTWHQLULKCJZ-NVXWUHKLSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528914934 1033064133 /nfs/dbraw/zinc/06/41/33/1033064133.db2.gz BSQTWHQLULKCJZ-NVXWUHKLSA-N 1 2 347.846 3.627 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC000607252685 1033065484 /nfs/dbraw/zinc/06/54/84/1033065484.db2.gz PNELWBKILWEWHK-YOEHRIQHSA-N 1 2 348.397 3.659 20 0 EHADLO c1nc2c(s1)C[N@H+](Cc1ccccc1OCc1cccnc1)CC2 ZINC000438352253 1022599776 /nfs/dbraw/zinc/59/97/76/1022599776.db2.gz KCNSZSHDJCDQJW-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO c1nc2c(s1)C[N@@H+](Cc1ccccc1OCc1cccnc1)CC2 ZINC000438352253 1022599789 /nfs/dbraw/zinc/59/97/89/1022599789.db2.gz KCNSZSHDJCDQJW-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccccc1C ZINC000063741387 1022622299 /nfs/dbraw/zinc/62/22/99/1022622299.db2.gz DHYVHHPTZLYOMB-UHFFFAOYSA-N 1 2 346.496 3.968 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccccc1C ZINC000063741387 1022622310 /nfs/dbraw/zinc/62/23/10/1022622310.db2.gz DHYVHHPTZLYOMB-UHFFFAOYSA-N 1 2 346.496 3.968 20 0 EHADLO CC1(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000510514061 1022625262 /nfs/dbraw/zinc/62/52/62/1022625262.db2.gz KAGXJZHXNXIJGR-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc(Cl)c1O ZINC000517745289 1022632818 /nfs/dbraw/zinc/63/28/18/1022632818.db2.gz XVKNORYVXXKHGV-LBPRGKRZSA-N 1 2 325.836 3.588 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc(Cl)c1O ZINC000517745289 1022632822 /nfs/dbraw/zinc/63/28/22/1022632822.db2.gz XVKNORYVXXKHGV-LBPRGKRZSA-N 1 2 325.836 3.588 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C=C3CCCC3)n2)O1 ZINC000665004622 1022644075 /nfs/dbraw/zinc/64/40/75/1022644075.db2.gz ITIQPVWYMKCMKR-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C=C3CCCC3)n2)O1 ZINC000665004622 1022644087 /nfs/dbraw/zinc/64/40/87/1022644087.db2.gz ITIQPVWYMKCMKR-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2F)[C@@H](C)CO1 ZINC000441435010 1022662537 /nfs/dbraw/zinc/66/25/37/1022662537.db2.gz DHYFGBFXKLAJDY-OXJNMPFZSA-N 1 2 329.415 3.975 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2F)[C@@H](C)CO1 ZINC000441435010 1022662548 /nfs/dbraw/zinc/66/25/48/1022662548.db2.gz DHYFGBFXKLAJDY-OXJNMPFZSA-N 1 2 329.415 3.975 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005415 1022665401 /nfs/dbraw/zinc/66/54/01/1022665401.db2.gz IYHUIQUEFWQHLY-XXNDZMALSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005415 1022665405 /nfs/dbraw/zinc/66/54/05/1022665405.db2.gz IYHUIQUEFWQHLY-XXNDZMALSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430769604 1022672357 /nfs/dbraw/zinc/67/23/57/1022672357.db2.gz WPJOSXXZTPVDIR-HNNXBMFYSA-N 1 2 338.224 3.957 20 0 EHADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430769604 1022672370 /nfs/dbraw/zinc/67/23/70/1022672370.db2.gz WPJOSXXZTPVDIR-HNNXBMFYSA-N 1 2 338.224 3.957 20 0 EHADLO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000438475868 1022712882 /nfs/dbraw/zinc/71/28/82/1022712882.db2.gz NLNWZABMIXNZEJ-GOSISDBHSA-N 1 2 337.398 3.684 20 0 EHADLO CCn1c(C[NH2+][C@H](C)c2nc3ccccc3n2C)nc2ccccc21 ZINC000607287330 1033075903 /nfs/dbraw/zinc/07/59/03/1033075903.db2.gz DJNAYOLOEZXQQW-CQSZACIVSA-N 1 2 333.439 3.794 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341642228 1022748521 /nfs/dbraw/zinc/74/85/21/1022748521.db2.gz PWXJQWCWMPAYBJ-UHFFFAOYSA-N 1 2 336.439 3.697 20 0 EHADLO CC(C)[NH+]1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2O)CC1 ZINC000331187208 1022766037 /nfs/dbraw/zinc/76/60/37/1022766037.db2.gz JDAXGIVCYLXTNO-UHFFFAOYSA-N 1 2 331.243 3.758 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3c(C)cccc3C2)C1 ZINC000729466657 1022780614 /nfs/dbraw/zinc/78/06/14/1022780614.db2.gz XHTWYUWNZCZTRE-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3c(C)cccc3C2)C1 ZINC000729466657 1022780623 /nfs/dbraw/zinc/78/06/23/1022780623.db2.gz XHTWYUWNZCZTRE-OAHLLOKOSA-N 1 2 342.508 3.749 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000341651971 1022814252 /nfs/dbraw/zinc/81/42/52/1022814252.db2.gz BGFARJYNBODRGT-STQMWFEESA-N 1 2 333.432 3.840 20 0 EHADLO CS[C@@H]1CCCC[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000593898379 1033086586 /nfs/dbraw/zinc/08/65/86/1033086586.db2.gz QZPHSIXOMDFXAD-GVDBMIGSSA-N 1 2 343.496 3.722 20 0 EHADLO Cc1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)c1 ZINC000341657388 1022884122 /nfs/dbraw/zinc/88/41/22/1022884122.db2.gz LLILHPRYVOXYQH-IBGZPJMESA-N 1 2 333.435 3.865 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000341659962 1022897933 /nfs/dbraw/zinc/89/79/33/1022897933.db2.gz PCHNIXPSIUYPCA-INIZCTEOSA-N 1 2 334.423 3.610 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(C)s1 ZINC000657092419 1022918725 /nfs/dbraw/zinc/91/87/25/1022918725.db2.gz JHKWHXAWWXHPIV-ZBVHDKTDSA-N 1 2 338.498 3.745 20 0 EHADLO Cc1ccc(CCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c(C)c1 ZINC000645383394 1022953940 /nfs/dbraw/zinc/95/39/40/1022953940.db2.gz XWHSCRDKOOBBDX-KRWDZBQOSA-N 1 2 326.469 3.795 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933768505 1022961626 /nfs/dbraw/zinc/96/16/26/1022961626.db2.gz RODMDGBTWFBZTQ-DBDQLMEASA-N 1 2 337.467 3.502 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3ccccc3o2)c(O[C@@H]2CCOC2)c1 ZINC000638749835 1023016807 /nfs/dbraw/zinc/01/68/07/1023016807.db2.gz QVYPKKYGFMUGPI-MRXNPFEDSA-N 1 2 338.407 3.594 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cc(F)cc(F)c1 ZINC000341691986 1023031688 /nfs/dbraw/zinc/03/16/88/1023031688.db2.gz DFIRDDBKIVMKOH-QGZVFWFLSA-N 1 2 341.361 3.526 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)o1 ZINC000189497574 1023040227 /nfs/dbraw/zinc/04/02/27/1023040227.db2.gz YTKBBLDJOYDRHZ-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(N4CCCCC4)cc3)ccc2[nH+]1 ZINC000471899630 1023059155 /nfs/dbraw/zinc/05/91/55/1023059155.db2.gz BVOQHKDLVNKYBS-UHFFFAOYSA-N 1 2 334.423 3.885 20 0 EHADLO C[C@H]1CC=CC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000341704663 1023073372 /nfs/dbraw/zinc/07/33/72/1023073372.db2.gz WYRQZQOTVIYCLK-YJBOKZPZSA-N 1 2 327.472 3.528 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000441472965 1023082302 /nfs/dbraw/zinc/08/23/02/1023082302.db2.gz JMWMEPQZUIXAPQ-WCIQWLHISA-N 1 2 337.467 3.794 20 0 EHADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426880199 1023096279 /nfs/dbraw/zinc/09/62/79/1023096279.db2.gz ABXPFFYPZZECAZ-KBOKABMXSA-N 1 2 339.464 3.879 20 0 EHADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426880199 1023096286 /nfs/dbraw/zinc/09/62/86/1023096286.db2.gz ABXPFFYPZZECAZ-KBOKABMXSA-N 1 2 339.464 3.879 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1SC(F)(F)F)c1ncnn1C ZINC000926262625 1023106257 /nfs/dbraw/zinc/10/62/57/1023106257.db2.gz PTNHCFIRPBGGSN-NXEZZACHSA-N 1 2 330.379 3.839 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1nc3c(s1)CCC3)O[C@H](C)C2 ZINC000134728737 1033106977 /nfs/dbraw/zinc/10/69/77/1033106977.db2.gz QEKJHRNZOWJDDQ-NEPJUHHUSA-N 1 2 344.480 3.815 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877573 1033107257 /nfs/dbraw/zinc/10/72/57/1033107257.db2.gz ZXABMKCDKSLTOL-RBUKOAKNSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877573 1033107263 /nfs/dbraw/zinc/10/72/63/1033107263.db2.gz ZXABMKCDKSLTOL-RBUKOAKNSA-N 1 2 331.843 3.665 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000156556626 1023145940 /nfs/dbraw/zinc/14/59/40/1023145940.db2.gz FJTYSSDLGRWAID-HNNXBMFYSA-N 1 2 331.485 3.650 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)cs1 ZINC000295130595 1023169916 /nfs/dbraw/zinc/16/99/16/1023169916.db2.gz HZWATSXVJLSESW-UHFFFAOYSA-N 1 2 343.496 3.830 20 0 EHADLO COc1nc(C)cc(C)c1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623398659 1033110641 /nfs/dbraw/zinc/11/06/41/1033110641.db2.gz LPVKCUOZFROQOB-UHFFFAOYSA-N 1 2 326.774 3.928 20 0 EHADLO Fc1ccc(CN(c2cc(N3CCCC3)[nH+]cn2)C2CC2)c(F)c1 ZINC000341722609 1023182321 /nfs/dbraw/zinc/18/23/21/1023182321.db2.gz OWDBPPIZFQECPG-UHFFFAOYSA-N 1 2 330.382 3.524 20 0 EHADLO Fc1ccc(CN(c2cc(N3CCCC3)nc[nH+]2)C2CC2)c(F)c1 ZINC000341722609 1023182323 /nfs/dbraw/zinc/18/23/23/1023182323.db2.gz OWDBPPIZFQECPG-UHFFFAOYSA-N 1 2 330.382 3.524 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000427039014 1023183315 /nfs/dbraw/zinc/18/33/15/1023183315.db2.gz TUZDQPYVLNGPRD-UHFFFAOYSA-N 1 2 345.402 3.952 20 0 EHADLO CCc1nocc1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000507210939 1023189573 /nfs/dbraw/zinc/18/95/73/1023189573.db2.gz LHEFDOQNGVFNRC-CQSZACIVSA-N 1 2 333.863 3.769 20 0 EHADLO CCc1nocc1C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000507210939 1023189577 /nfs/dbraw/zinc/18/95/77/1023189577.db2.gz LHEFDOQNGVFNRC-CQSZACIVSA-N 1 2 333.863 3.769 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2F)c(C)c1 ZINC000441488435 1023205896 /nfs/dbraw/zinc/20/58/96/1023205896.db2.gz IFSPCJZNXZFPPE-LJQANCHMSA-N 1 2 337.398 3.810 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2occc2C(=O)OC)cc1 ZINC000341742289 1023220858 /nfs/dbraw/zinc/22/08/58/1023220858.db2.gz LXIQVPMVCPALCE-ZDUSSCGKSA-N 1 2 349.452 3.656 20 0 EHADLO C[C@@H]1c2nncn2CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000276856763 1023229814 /nfs/dbraw/zinc/22/98/14/1023229814.db2.gz TVDVTKGJEGTBJA-SNVBAGLBSA-N 1 2 343.283 3.754 20 0 EHADLO C[C@@H]1c2nncn2CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000276856763 1023229824 /nfs/dbraw/zinc/22/98/24/1023229824.db2.gz TVDVTKGJEGTBJA-SNVBAGLBSA-N 1 2 343.283 3.754 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)cn1 ZINC000276890225 1023308962 /nfs/dbraw/zinc/30/89/62/1023308962.db2.gz YPGKDNZUCUHXNJ-UHFFFAOYSA-N 1 2 344.434 3.576 20 0 EHADLO CC(C)(C)OC(=O)CCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000593964428 1033127880 /nfs/dbraw/zinc/12/78/80/1033127880.db2.gz JIVDYERGZRQBDP-UHFFFAOYSA-N 1 2 343.427 3.713 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3F)cnc2n1 ZINC000449737456 1033136922 /nfs/dbraw/zinc/13/69/22/1033136922.db2.gz YTULOUZOJUOYHT-SFHVURJKSA-N 1 2 342.393 3.961 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3c3ccc(F)cc3F)cnc2n1 ZINC000449737456 1033136927 /nfs/dbraw/zinc/13/69/27/1033136927.db2.gz YTULOUZOJUOYHT-SFHVURJKSA-N 1 2 342.393 3.961 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(Cl)c(F)c1 ZINC000535675786 1023549796 /nfs/dbraw/zinc/54/97/96/1023549796.db2.gz MAFKLWSADRELBZ-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(Cl)c(F)c1 ZINC000535675786 1023549799 /nfs/dbraw/zinc/54/97/99/1023549799.db2.gz MAFKLWSADRELBZ-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001143417225 1023588884 /nfs/dbraw/zinc/58/88/84/1023588884.db2.gz CBTZLMLKNBLPSA-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001143417225 1023588891 /nfs/dbraw/zinc/58/88/91/1023588891.db2.gz CBTZLMLKNBLPSA-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C)nc3scc(C)c31)CCC2 ZINC000535731235 1023595992 /nfs/dbraw/zinc/59/59/92/1023595992.db2.gz ITQAPFRYCMTEQE-ZDUSSCGKSA-N 1 2 327.457 3.803 20 0 EHADLO Cc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c[nH+]1 ZINC000535749121 1023605644 /nfs/dbraw/zinc/60/56/44/1023605644.db2.gz KJESHPNIVYSNJN-UHFFFAOYSA-N 1 2 340.354 3.684 20 0 EHADLO Cc1cc(NC(=O)NC2(c3ccc(F)cc3F)CCC2)c(C)c[nH+]1 ZINC000535772735 1023623276 /nfs/dbraw/zinc/62/32/76/1023623276.db2.gz MRGSQDCSRJGEOF-UHFFFAOYSA-N 1 2 331.366 3.599 20 0 EHADLO Cc1cc(NC(=O)NCc2nc3cc(Cl)ccc3s2)c(C)c[nH+]1 ZINC000535774239 1023625389 /nfs/dbraw/zinc/62/53/89/1023625389.db2.gz CVKLMZPGQDEKJT-UHFFFAOYSA-N 1 2 346.843 3.705 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3)C1)O[C@H](C)C2 ZINC000535782047 1023630490 /nfs/dbraw/zinc/63/04/90/1023630490.db2.gz DVKVCXAUEJDTSZ-VFNWGFHPSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3)C1)O[C@H](C)C2 ZINC000535782047 1023630492 /nfs/dbraw/zinc/63/04/92/1023630492.db2.gz DVKVCXAUEJDTSZ-VFNWGFHPSA-N 1 2 339.435 3.592 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](Cc2ccc(F)cc2)C2CC2)s1 ZINC000602758537 1033150373 /nfs/dbraw/zinc/15/03/73/1033150373.db2.gz LZGZUMCNMIMZNM-UHFFFAOYSA-N 1 2 334.416 3.624 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)s1 ZINC000602758537 1033150387 /nfs/dbraw/zinc/15/03/87/1033150387.db2.gz LZGZUMCNMIMZNM-UHFFFAOYSA-N 1 2 334.416 3.624 20 0 EHADLO Cc1nc(CC[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cs1 ZINC000341983967 1023734287 /nfs/dbraw/zinc/73/42/87/1023734287.db2.gz GORVQEFZTJOLRK-INIZCTEOSA-N 1 2 326.387 3.843 20 0 EHADLO Cc1nc(CC[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cs1 ZINC000341983967 1023734293 /nfs/dbraw/zinc/73/42/93/1023734293.db2.gz GORVQEFZTJOLRK-INIZCTEOSA-N 1 2 326.387 3.843 20 0 EHADLO Cc1oc2nc(C[NH+]3CCC(CC(F)(F)F)CC3)nc(N)c2c1C ZINC000341988314 1023738155 /nfs/dbraw/zinc/73/81/55/1023738155.db2.gz ILTGCNKAZGEVSV-UHFFFAOYSA-N 1 2 342.365 3.586 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000341998763 1023749525 /nfs/dbraw/zinc/74/95/25/1023749525.db2.gz VKVHKDYBEDPDHV-VIFPVBQESA-N 1 2 331.363 3.806 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2F)CC12CCCCC2 ZINC000535824388 1023797474 /nfs/dbraw/zinc/79/74/74/1023797474.db2.gz CQOLFZCBXOGGLI-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2F)CC12CCCCC2 ZINC000535824388 1023797482 /nfs/dbraw/zinc/79/74/82/1023797482.db2.gz CQOLFZCBXOGGLI-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](Cc2ccccc2C)C2CC2)s1 ZINC000602766715 1033163798 /nfs/dbraw/zinc/16/37/98/1033163798.db2.gz AIRXGKKBVKQOKQ-UHFFFAOYSA-N 1 2 330.453 3.793 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](Cc2ccccc2C)C2CC2)s1 ZINC000602766715 1033163810 /nfs/dbraw/zinc/16/38/10/1033163810.db2.gz AIRXGKKBVKQOKQ-UHFFFAOYSA-N 1 2 330.453 3.793 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954192 1023897115 /nfs/dbraw/zinc/89/71/15/1023897115.db2.gz PKGKYXNOARGFEC-GOEBONIOSA-N 1 2 343.496 3.834 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954192 1023897122 /nfs/dbraw/zinc/89/71/22/1023897122.db2.gz PKGKYXNOARGFEC-GOEBONIOSA-N 1 2 343.496 3.834 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC1 ZINC000458345830 1023985738 /nfs/dbraw/zinc/98/57/38/1023985738.db2.gz XISQTWQRMAGJAE-IBGZPJMESA-N 1 2 325.456 3.559 20 0 EHADLO COc1cc(Cc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)ccc1C ZINC000546297386 1023991428 /nfs/dbraw/zinc/99/14/28/1023991428.db2.gz NFISFMUWFDYIAQ-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO CCc1cc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)o1 ZINC000513997858 1024025097 /nfs/dbraw/zinc/02/50/97/1024025097.db2.gz WPTHRLVKWRXPBI-INIZCTEOSA-N 1 2 332.831 3.591 20 0 EHADLO CC1(C)CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000443507791 1024052643 /nfs/dbraw/zinc/05/26/43/1024052643.db2.gz HJAJYJCYGSBNGO-UHFFFAOYSA-N 1 2 339.208 3.752 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(Br)s2)[nH+]1 ZINC000443502134 1024056676 /nfs/dbraw/zinc/05/66/76/1024056676.db2.gz QCXGBDGIYWKMKL-SSDOTTSWSA-N 1 2 337.246 3.685 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc2ccc(Br)cn2c1=S ZINC000839960496 1024064021 /nfs/dbraw/zinc/06/40/21/1024064021.db2.gz KLYDLEHAOWHNLH-SNVBAGLBSA-N 1 2 343.294 3.562 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc2ccc(Br)cn2c1=S ZINC000839960496 1024064042 /nfs/dbraw/zinc/06/40/42/1024064042.db2.gz KLYDLEHAOWHNLH-SNVBAGLBSA-N 1 2 343.294 3.562 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000434481988 1024074490 /nfs/dbraw/zinc/07/44/90/1024074490.db2.gz IFDHJCUHUMJQSB-CYBMUJFWSA-N 1 2 332.423 3.638 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000151464987 1024112311 /nfs/dbraw/zinc/11/23/11/1024112311.db2.gz KEPFJUPNDRMGOX-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000522627452 1024114126 /nfs/dbraw/zinc/11/41/26/1024114126.db2.gz IHXDBZIRLXQAKI-HZPDHXFCSA-N 1 2 347.503 3.996 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2cscn2)c(C(F)(F)F)c1 ZINC000895253737 1024130217 /nfs/dbraw/zinc/13/02/17/1024130217.db2.gz INKPRLFZZLDNGO-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329723932 1024147244 /nfs/dbraw/zinc/14/72/44/1024147244.db2.gz BKRXQCDVWBBYKR-MBNYWOFBSA-N 1 2 333.457 3.749 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329723932 1024147251 /nfs/dbraw/zinc/14/72/51/1024147251.db2.gz BKRXQCDVWBBYKR-MBNYWOFBSA-N 1 2 333.457 3.749 20 0 EHADLO CCCCn1c(SCc2cncs2)nnc1[C@@H](CC)[NH+](C)C ZINC000657226306 1024156396 /nfs/dbraw/zinc/15/63/96/1024156396.db2.gz WUXICXMTLVEUAI-CYBMUJFWSA-N 1 2 339.534 3.840 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507782269 1024191850 /nfs/dbraw/zinc/19/18/50/1024191850.db2.gz FACBFGCEGYAGRJ-MNEFBYGVSA-N 1 2 345.462 3.834 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000443634750 1024276344 /nfs/dbraw/zinc/27/63/44/1024276344.db2.gz YPERLNGKRUOJOM-LBPRGKRZSA-N 1 2 339.270 3.610 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443640755 1024292489 /nfs/dbraw/zinc/29/24/89/1024292489.db2.gz OATMZTGTLCHJTC-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443640755 1024292499 /nfs/dbraw/zinc/29/24/99/1024292499.db2.gz OATMZTGTLCHJTC-INIZCTEOSA-N 1 2 344.842 3.740 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000068101510 1024297878 /nfs/dbraw/zinc/29/78/78/1024297878.db2.gz PDJNOCRNQSCXKK-KRWDZBQOSA-N 1 2 347.462 3.914 20 0 EHADLO CC1CCC(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425141341 1024309569 /nfs/dbraw/zinc/30/95/69/1024309569.db2.gz GIKAUMATNVYPST-LEOMRAHMSA-N 1 2 325.456 3.874 20 0 EHADLO COCC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccs1 ZINC000053099294 1024311238 /nfs/dbraw/zinc/31/12/38/1024311238.db2.gz NDFGXPJUMHFDRA-UHFFFAOYSA-N 1 2 346.496 3.638 20 0 EHADLO COCC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccs1 ZINC000053099294 1024311254 /nfs/dbraw/zinc/31/12/54/1024311254.db2.gz NDFGXPJUMHFDRA-UHFFFAOYSA-N 1 2 346.496 3.638 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089979 1024332791 /nfs/dbraw/zinc/33/27/91/1024332791.db2.gz LVGDWFMTULTDMV-SJCJKPOMSA-N 1 2 342.414 3.806 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089979 1024332806 /nfs/dbraw/zinc/33/28/06/1024332806.db2.gz LVGDWFMTULTDMV-SJCJKPOMSA-N 1 2 342.414 3.806 20 0 EHADLO c1ccc(-c2cncc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895352133 1024365392 /nfs/dbraw/zinc/36/53/92/1024365392.db2.gz KZTJEDVQFYYWGM-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CC(C)(C)[C@H]3c3cccnc3)c1)O[C@H](C)C2 ZINC000430103524 1024367518 /nfs/dbraw/zinc/36/75/18/1024367518.db2.gz ZJNIXDIHDHAVKB-JLTOFOAXSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(c(C[N@H+]3CC(C)(C)[C@H]3c3cccnc3)c1)O[C@H](C)C2 ZINC000430103524 1024367538 /nfs/dbraw/zinc/36/75/38/1024367538.db2.gz ZJNIXDIHDHAVKB-JLTOFOAXSA-N 1 2 338.451 3.997 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425212533 1024451514 /nfs/dbraw/zinc/45/15/14/1024451514.db2.gz FBYUORUPKUAYQE-JFIYKMOQSA-N 1 2 325.456 3.826 20 0 EHADLO CC1=C[C@H](C)C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000684669477 1024461062 /nfs/dbraw/zinc/46/10/62/1024461062.db2.gz PNZYPVLTSATMLL-JTQLQIEISA-N 1 2 337.345 3.752 20 0 EHADLO CC1=C[C@H](C)C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000684669477 1024461065 /nfs/dbraw/zinc/46/10/65/1024461065.db2.gz PNZYPVLTSATMLL-JTQLQIEISA-N 1 2 337.345 3.752 20 0 EHADLO CCc1sc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1C ZINC000505558664 1024482750 /nfs/dbraw/zinc/48/27/50/1024482750.db2.gz RLKCCXTUDGGTIV-HNNXBMFYSA-N 1 2 332.444 3.545 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](c2ncccc2C)C(C)(C)C)cc(C)[nH+]1 ZINC000895411956 1024484132 /nfs/dbraw/zinc/48/41/32/1024484132.db2.gz QPNMFECCKJIYDD-GOSISDBHSA-N 1 2 340.471 3.988 20 0 EHADLO COCC[N@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1ccccc1 ZINC000505559747 1024484597 /nfs/dbraw/zinc/48/45/97/1024484597.db2.gz MIZLXBCXXAPGBV-UHFFFAOYSA-N 1 2 343.858 3.875 20 0 EHADLO COCC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1ccccc1 ZINC000505559747 1024484607 /nfs/dbraw/zinc/48/46/07/1024484607.db2.gz MIZLXBCXXAPGBV-UHFFFAOYSA-N 1 2 343.858 3.875 20 0 EHADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1Cc1ccccc1Cl ZINC000346210329 1024500585 /nfs/dbraw/zinc/50/05/85/1024500585.db2.gz CYPMGDWTPSYEKW-LSDHHAIUSA-N 1 2 343.858 3.717 20 0 EHADLO CCO[C@@H](C)c1nc(CN2CC[NH+](C/C=C(/C)Cl)CC2)cs1 ZINC000528387062 1024517143 /nfs/dbraw/zinc/51/71/43/1024517143.db2.gz CUUDLJLEODTVDQ-UUSOHVMFSA-N 1 2 343.924 3.501 20 0 EHADLO CSCC(C)(C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000282213300 1024518394 /nfs/dbraw/zinc/51/83/94/1024518394.db2.gz RTUCCVVVHWMURW-UHFFFAOYSA-N 1 2 341.546 3.703 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000434983226 1024529007 /nfs/dbraw/zinc/52/90/07/1024529007.db2.gz PWPAEAPZQUSUJX-UHFFFAOYSA-N 1 2 334.847 3.900 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000434983226 1024529015 /nfs/dbraw/zinc/52/90/15/1024529015.db2.gz PWPAEAPZQUSUJX-UHFFFAOYSA-N 1 2 334.847 3.900 20 0 EHADLO Cc1nc(C[N@@H+](C)CC(C)(C)c2ccc(Br)cc2)no1 ZINC000895474319 1024545843 /nfs/dbraw/zinc/54/58/43/1024545843.db2.gz VUTDOIBEDAGXIE-UHFFFAOYSA-N 1 2 338.249 3.550 20 0 EHADLO Cc1nc(C[N@H+](C)CC(C)(C)c2ccc(Br)cc2)no1 ZINC000895474319 1024545852 /nfs/dbraw/zinc/54/58/52/1024545852.db2.gz VUTDOIBEDAGXIE-UHFFFAOYSA-N 1 2 338.249 3.550 20 0 EHADLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)c2ccc(F)c(F)c2n1 ZINC000895480267 1024552110 /nfs/dbraw/zinc/55/21/10/1024552110.db2.gz FFUBIYWTZVPBPQ-UHFFFAOYSA-N 1 2 348.422 3.952 20 0 EHADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ncc(Cl)s3)C2)cc1C ZINC000895496702 1024567617 /nfs/dbraw/zinc/56/76/17/1024567617.db2.gz AEYVBIWQDLBDJZ-CYBMUJFWSA-N 1 2 335.860 3.696 20 0 EHADLO C[C@@H]1CCN(C(=O)NCCC2=CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000185268833 1024590526 /nfs/dbraw/zinc/59/05/26/1024590526.db2.gz UVHHVPBFQACNTJ-AEFFLSMTSA-N 1 2 330.476 3.756 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](Cc4ccccc4)C3)ccn12 ZINC000514612971 1024605573 /nfs/dbraw/zinc/60/55/73/1024605573.db2.gz ZKVSGMJDZJLZCO-SFHVURJKSA-N 1 2 333.435 3.738 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346310898 1024636208 /nfs/dbraw/zinc/63/62/08/1024636208.db2.gz GFBGQGOVKYMHAG-LJQANCHMSA-N 1 2 341.499 3.698 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346310898 1024636214 /nfs/dbraw/zinc/63/62/14/1024636214.db2.gz GFBGQGOVKYMHAG-LJQANCHMSA-N 1 2 341.499 3.698 20 0 EHADLO CC(C)(C(=O)N1Cc2ccccc2-c2ccccc2C1)c1c[nH+]c[nH]1 ZINC000346309609 1024636586 /nfs/dbraw/zinc/63/65/86/1024636586.db2.gz JUVVRFGZLBKJTC-UHFFFAOYSA-N 1 2 331.419 3.897 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671376 1024641360 /nfs/dbraw/zinc/64/13/60/1024641360.db2.gz GEDYYNRZRYOUJA-SJLPKXTDSA-N 1 2 349.544 3.824 20 0 EHADLO C[C@H]1C[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C[C@@H](C)C1 ZINC000614671423 1024643545 /nfs/dbraw/zinc/64/35/45/1024643545.db2.gz HHUWGNDCADHLPF-FVQHAEBGSA-N 1 2 349.544 3.680 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474259506 1024656443 /nfs/dbraw/zinc/65/64/43/1024656443.db2.gz NKSUIGGTCUMVJQ-IRXDYDNUSA-N 1 2 328.460 3.738 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000892100384 1024692968 /nfs/dbraw/zinc/69/29/68/1024692968.db2.gz FBYQDTYNQBYWQY-SJCJKPOMSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000892100384 1024692972 /nfs/dbraw/zinc/69/29/72/1024692972.db2.gz FBYQDTYNQBYWQY-SJCJKPOMSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@@H]1c1ccccc1 ZINC000608313444 1024699508 /nfs/dbraw/zinc/69/95/08/1024699508.db2.gz XZKMALWWEJBNQD-QAPCUYQASA-N 1 2 334.423 3.992 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C3CCC3)nn1)CCS2 ZINC000657297654 1024711145 /nfs/dbraw/zinc/71/11/45/1024711145.db2.gz POLICUICYWPLHW-HNNXBMFYSA-N 1 2 334.876 3.983 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000342286083 1024716431 /nfs/dbraw/zinc/71/64/31/1024716431.db2.gz WFLLUGYWBBZYDJ-UHFFFAOYSA-N 1 2 343.858 3.821 20 0 EHADLO CC[C@@H](C)c1ncc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425304290 1024721464 /nfs/dbraw/zinc/72/14/64/1024721464.db2.gz PXVRPKCYEQTOAF-PBHICJAKSA-N 1 2 349.438 3.874 20 0 EHADLO Cc1sc(Br)c(C(=O)Nc2cc(C)[nH+]cc2C)c1C ZINC000548835456 1033232091 /nfs/dbraw/zinc/23/20/91/1033232091.db2.gz HWNWWLVKNWAGCJ-UHFFFAOYSA-N 1 2 339.258 3.813 20 0 EHADLO Fc1cc(Br)cc2c1C[N@H+](CCc1cccnc1)CC2 ZINC000342292433 1024752232 /nfs/dbraw/zinc/75/22/32/1024752232.db2.gz FFIUBHPDTYKRDM-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO Fc1cc(Br)cc2c1C[N@@H+](CCc1cccnc1)CC2 ZINC000342292433 1024752240 /nfs/dbraw/zinc/75/22/40/1024752240.db2.gz FFIUBHPDTYKRDM-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(Cl)c(Cl)c1 ZINC000053395854 1024765417 /nfs/dbraw/zinc/76/54/17/1024765417.db2.gz KSKRNTJBXNHIIT-UHFFFAOYSA-N 1 2 342.226 3.750 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(Cl)c(Cl)c1 ZINC000053395854 1024765428 /nfs/dbraw/zinc/76/54/28/1024765428.db2.gz KSKRNTJBXNHIIT-UHFFFAOYSA-N 1 2 342.226 3.750 20 0 EHADLO O=C(/C=C/C1CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000843603461 1024770877 /nfs/dbraw/zinc/77/08/77/1024770877.db2.gz ZJUCCEVDYISKEO-CMDGGOBGSA-N 1 2 329.831 3.888 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000346464338 1024775754 /nfs/dbraw/zinc/77/57/54/1024775754.db2.gz DYGAWRMIWSMFNV-LLVKDONJSA-N 1 2 343.349 3.723 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000346464338 1024775768 /nfs/dbraw/zinc/77/57/68/1024775768.db2.gz DYGAWRMIWSMFNV-LLVKDONJSA-N 1 2 343.349 3.723 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCc2cccc(Br)c2C1 ZINC000425337316 1024784436 /nfs/dbraw/zinc/78/44/36/1024784436.db2.gz NEBYDKRCHHMQPT-UHFFFAOYSA-N 1 2 334.261 3.785 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346493479 1024803684 /nfs/dbraw/zinc/80/36/84/1024803684.db2.gz PZBKXSKVHRUQPY-LJQANCHMSA-N 1 2 336.414 3.561 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427817721 1024803722 /nfs/dbraw/zinc/80/37/22/1024803722.db2.gz GIVBXMABCSHZET-IAGOWNOFSA-N 1 2 339.426 3.966 20 0 EHADLO O=C(C1CC=CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435335999 1024806399 /nfs/dbraw/zinc/80/63/99/1024806399.db2.gz NZQCYKIGVUZZIJ-UHFFFAOYSA-N 1 2 329.831 3.532 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000508008034 1024828156 /nfs/dbraw/zinc/82/81/56/1024828156.db2.gz ICGJOKCNUUNDRO-PEXHTFQZSA-N 1 2 347.871 3.913 20 0 EHADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000508008034 1024828175 /nfs/dbraw/zinc/82/81/75/1024828175.db2.gz ICGJOKCNUUNDRO-PEXHTFQZSA-N 1 2 347.871 3.913 20 0 EHADLO O=C(c1cc2c(cccc2Cl)s1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594176445 1033236960 /nfs/dbraw/zinc/23/69/60/1033236960.db2.gz GOBVTDSUZHCTOS-UHFFFAOYSA-N 1 2 344.823 3.853 20 0 EHADLO C[C@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H](C)CO1 ZINC000508014031 1024834657 /nfs/dbraw/zinc/83/46/57/1024834657.db2.gz JXBMPQNRFKGGTF-QWRGUYRKSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H](C)CO1 ZINC000508014031 1024834678 /nfs/dbraw/zinc/83/46/78/1024834678.db2.gz JXBMPQNRFKGGTF-QWRGUYRKSA-N 1 2 328.239 3.878 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CCCO1 ZINC000281306661 1024870575 /nfs/dbraw/zinc/87/05/75/1024870575.db2.gz QEXKZHJVXXDJRO-JTQLQIEISA-N 1 2 334.279 3.520 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CCCO1 ZINC000281306661 1024870589 /nfs/dbraw/zinc/87/05/89/1024870589.db2.gz QEXKZHJVXXDJRO-JTQLQIEISA-N 1 2 334.279 3.520 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)NCCCCn1cc[nH+]c1 ZINC000895828541 1024879702 /nfs/dbraw/zinc/87/97/02/1024879702.db2.gz WRGRBIKNCLPXLZ-UHFFFAOYSA-N 1 2 325.456 3.680 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cc(C)ccc2Br)on1 ZINC000926584701 1033247555 /nfs/dbraw/zinc/24/75/55/1033247555.db2.gz LYQLFKJVSLHQKV-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO CCCCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1OCC ZINC000346646746 1024958591 /nfs/dbraw/zinc/95/85/91/1024958591.db2.gz CTDAMJPOFGEWFM-UHFFFAOYSA-N 1 2 328.412 3.642 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000435511223 1024964789 /nfs/dbraw/zinc/96/47/89/1024964789.db2.gz MFWASXDLHNXAHO-HIFRSBDPSA-N 1 2 330.407 3.507 20 0 EHADLO O=C(Nc1ccc(F)cc1)NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346637930 1024980245 /nfs/dbraw/zinc/98/02/45/1024980245.db2.gz FPKNOUMQGSRPOF-UHFFFAOYSA-N 1 2 328.391 3.766 20 0 EHADLO Cc1nn(CC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1-c1ccccc1 ZINC000435531170 1024981613 /nfs/dbraw/zinc/98/16/13/1024981613.db2.gz KFOLHTNQHQPQCI-UHFFFAOYSA-N 1 2 334.423 3.817 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1C(F)F ZINC000895938616 1024996220 /nfs/dbraw/zinc/99/62/20/1024996220.db2.gz ANQMUMYMQHSXQD-LBPRGKRZSA-N 1 2 327.268 3.917 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1C(F)F ZINC000895938616 1024996233 /nfs/dbraw/zinc/99/62/33/1024996233.db2.gz ANQMUMYMQHSXQD-LBPRGKRZSA-N 1 2 327.268 3.917 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000897944233 1033253240 /nfs/dbraw/zinc/25/32/40/1033253240.db2.gz BRWOHDZBTFWYDT-UHFFFAOYSA-N 1 2 346.381 3.930 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408860 1025011414 /nfs/dbraw/zinc/01/14/14/1025011414.db2.gz NZEMXSKYCLBRKE-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408860 1025011428 /nfs/dbraw/zinc/01/14/28/1025011428.db2.gz NZEMXSKYCLBRKE-DGCLKSJQSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000508300318 1025020355 /nfs/dbraw/zinc/02/03/55/1025020355.db2.gz QFCBLZYWXXVTDQ-XFFZJAGNSA-N 1 2 348.490 3.785 20 0 EHADLO CC(F)(F)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000428171236 1025028472 /nfs/dbraw/zinc/02/84/72/1025028472.db2.gz QYMMWSULUXQMKR-UHFFFAOYSA-N 1 2 345.393 3.592 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)no1 ZINC000284250316 1025041985 /nfs/dbraw/zinc/04/19/85/1025041985.db2.gz RHMLOPDBDOGYTR-ZUZCIYMTSA-N 1 2 336.233 3.942 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC001167533524 1025042333 /nfs/dbraw/zinc/04/23/33/1025042333.db2.gz FVNGWZYXHIVAHY-DOMZBBRYSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC001167533524 1025042340 /nfs/dbraw/zinc/04/23/40/1025042340.db2.gz FVNGWZYXHIVAHY-DOMZBBRYSA-N 1 2 346.368 3.619 20 0 EHADLO CCCCn1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1CC ZINC000277418718 1025044075 /nfs/dbraw/zinc/04/40/75/1025044075.db2.gz AYWUJBFMRIKURD-UHFFFAOYSA-N 1 2 337.427 3.888 20 0 EHADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccc(O)c1 ZINC000342363736 1025059046 /nfs/dbraw/zinc/05/90/46/1025059046.db2.gz SZXUTZPWRWGSSQ-KBXCAEBGSA-N 1 2 335.407 3.515 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000342371312 1025091019 /nfs/dbraw/zinc/09/10/19/1025091019.db2.gz VCUXIULEUAGRGB-UHFFFAOYSA-N 1 2 340.492 3.974 20 0 EHADLO C[N@H+](CCCOCc1ccccc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000281516710 1025120088 /nfs/dbraw/zinc/12/00/88/1025120088.db2.gz XTBDNACMFXOPOH-UHFFFAOYSA-N 1 2 340.471 3.529 20 0 EHADLO C[N@@H+](CCCOCc1ccccc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000281516710 1025120090 /nfs/dbraw/zinc/12/00/90/1025120090.db2.gz XTBDNACMFXOPOH-UHFFFAOYSA-N 1 2 340.471 3.529 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCc3cc(Cl)cc(Cl)c3)ccn12 ZINC001125581062 1025137384 /nfs/dbraw/zinc/13/73/84/1025137384.db2.gz CYNZVFSUHIFSRF-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO CSC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000602921281 1033265547 /nfs/dbraw/zinc/26/55/47/1033265547.db2.gz WYEHKYMVNLQUFC-JTQLQIEISA-N 1 2 337.514 3.902 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582065925 1025149489 /nfs/dbraw/zinc/14/94/89/1025149489.db2.gz KDFYVZLFOZQFCU-QAPCUYQASA-N 1 2 331.435 3.699 20 0 EHADLO C[C@@H]1CCc2nc(C[NH2+]Cc3ccc4c(n3)CCCC4)sc2C1 ZINC000444003505 1025176027 /nfs/dbraw/zinc/17/60/27/1025176027.db2.gz JAKXDLVHUJVTMW-CYBMUJFWSA-N 1 2 327.497 3.832 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000515355205 1025190879 /nfs/dbraw/zinc/19/08/79/1025190879.db2.gz RNBXPKBNAVFGNV-NSHDSACASA-N 1 2 340.254 3.944 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000515355205 1025190888 /nfs/dbraw/zinc/19/08/88/1025190888.db2.gz RNBXPKBNAVFGNV-NSHDSACASA-N 1 2 340.254 3.944 20 0 EHADLO CSC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000602919705 1033265034 /nfs/dbraw/zinc/26/50/34/1033265034.db2.gz GEWVITGFVBOZKX-SNVBAGLBSA-N 1 2 330.856 3.634 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442234416 1025228295 /nfs/dbraw/zinc/22/82/95/1025228295.db2.gz ALXWLJBTWQTBJJ-WMZOPIPTSA-N 1 2 328.460 3.681 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3ccccc3C)CC2)c[nH+]1 ZINC000896215204 1025251981 /nfs/dbraw/zinc/25/19/81/1025251981.db2.gz VQAILRZAYUCEMP-UHFFFAOYSA-N 1 2 325.456 3.641 20 0 EHADLO Cc1nc(C(C)C)oc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000431354088 1025253992 /nfs/dbraw/zinc/25/39/92/1025253992.db2.gz SYYYSTJTGGADLK-UHFFFAOYSA-N 1 2 328.347 3.684 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CC2CCC1CC2 ZINC000563247542 1025258992 /nfs/dbraw/zinc/25/89/92/1025258992.db2.gz GZJJCQPOROPJKZ-PBMMVSLJSA-N 1 2 330.476 3.514 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000521198905 1025271890 /nfs/dbraw/zinc/27/18/90/1025271890.db2.gz UKFTYJVDFZZORF-FOIQADDNSA-N 1 2 326.440 3.848 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000521198905 1025271903 /nfs/dbraw/zinc/27/19/03/1025271903.db2.gz UKFTYJVDFZZORF-FOIQADDNSA-N 1 2 326.440 3.848 20 0 EHADLO CC1(C)CC=C(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000454985539 1025275357 /nfs/dbraw/zinc/27/53/57/1025275357.db2.gz DEORSJIKBYXLIV-UHFFFAOYSA-N 1 2 328.456 3.594 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388799 1033272705 /nfs/dbraw/zinc/27/27/05/1033272705.db2.gz AXSAJMOBGQMULV-HNAYVOBHSA-N 1 2 343.446 3.908 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000173388799 1033272715 /nfs/dbraw/zinc/27/27/15/1033272715.db2.gz AXSAJMOBGQMULV-HNAYVOBHSA-N 1 2 343.446 3.908 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000469821428 1025304037 /nfs/dbraw/zinc/30/40/37/1025304037.db2.gz QPCLTOGZFPSKMO-REHIUZFUSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000469821428 1025304046 /nfs/dbraw/zinc/30/40/46/1025304046.db2.gz QPCLTOGZFPSKMO-REHIUZFUSA-N 1 2 336.426 3.653 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH]nc1-c1ccsc1 ZINC000436026679 1025310960 /nfs/dbraw/zinc/31/09/60/1025310960.db2.gz KERYCJAAJBOZEI-UHFFFAOYSA-N 1 2 341.415 3.681 20 0 EHADLO CCC[C@@H](CC1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499177255 1033273669 /nfs/dbraw/zinc/27/36/69/1033273669.db2.gz PCINBIXSTPCYBD-SFHVURJKSA-N 1 2 329.488 3.727 20 0 EHADLO C[NH+](C)C1(c2nc(C3(c4c(F)cccc4F)CCCC3)no2)CC1 ZINC000896296508 1025323103 /nfs/dbraw/zinc/32/31/03/1025323103.db2.gz HEGIELQMNXFIMB-UHFFFAOYSA-N 1 2 333.382 3.759 20 0 EHADLO Cc1cnc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c(Br)c1 ZINC000684762775 1025363846 /nfs/dbraw/zinc/36/38/46/1025363846.db2.gz OKZBDCRXCRLHHY-HNNXBMFYSA-N 1 2 332.245 3.751 20 0 EHADLO Cc1cnc(N[C@H]2C[N@H+](C)Cc3ccccc32)c(Br)c1 ZINC000684762775 1025363854 /nfs/dbraw/zinc/36/38/54/1025363854.db2.gz OKZBDCRXCRLHHY-HNNXBMFYSA-N 1 2 332.245 3.751 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000521458921 1025395241 /nfs/dbraw/zinc/39/52/41/1025395241.db2.gz NWQIEPXBRUPTSA-CYBMUJFWSA-N 1 2 333.863 3.627 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000521458921 1025395256 /nfs/dbraw/zinc/39/52/56/1025395256.db2.gz NWQIEPXBRUPTSA-CYBMUJFWSA-N 1 2 333.863 3.627 20 0 EHADLO CCS[C@@H](C)c1noc(C[NH+]2CCC3(CCSCC3)CC2)n1 ZINC000602950017 1033276415 /nfs/dbraw/zinc/27/64/15/1033276415.db2.gz XYUHTODTMMFPOI-ZDUSSCGKSA-N 1 2 341.546 3.993 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000303524815 1025472923 /nfs/dbraw/zinc/47/29/23/1025472923.db2.gz DCMAYZHSUONYEL-KEYYUXOJSA-N 1 2 344.434 3.635 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543848229 1025484861 /nfs/dbraw/zinc/48/48/61/1025484861.db2.gz JDXWFRTUVZUYOY-COXVUDFISA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543848229 1025484867 /nfs/dbraw/zinc/48/48/67/1025484867.db2.gz JDXWFRTUVZUYOY-COXVUDFISA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1cccc(Br)c1 ZINC000442793383 1025489444 /nfs/dbraw/zinc/48/94/44/1025489444.db2.gz AXXLHHLOWJFSAF-UHFFFAOYSA-N 1 2 348.166 3.823 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1cccc(Br)c1 ZINC000442793383 1025489453 /nfs/dbraw/zinc/48/94/53/1025489453.db2.gz AXXLHHLOWJFSAF-UHFFFAOYSA-N 1 2 348.166 3.823 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCc2sccc21 ZINC000684782857 1025495136 /nfs/dbraw/zinc/49/51/36/1025495136.db2.gz MJZFFLCKIBFNSA-UHFFFAOYSA-N 1 2 337.448 3.976 20 0 EHADLO c1cn([C@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000425503639 1025519353 /nfs/dbraw/zinc/51/93/53/1025519353.db2.gz SWQFFZVEZBSWFU-INIZCTEOSA-N 1 2 331.489 3.619 20 0 EHADLO c1cn([C@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)nn1 ZINC000425503639 1025519361 /nfs/dbraw/zinc/51/93/61/1025519361.db2.gz SWQFFZVEZBSWFU-INIZCTEOSA-N 1 2 331.489 3.619 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000347117475 1025531814 /nfs/dbraw/zinc/53/18/14/1025531814.db2.gz UQICZGDGUFUNHN-CHWSQXEVSA-N 1 2 343.393 3.547 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281833063 1025553636 /nfs/dbraw/zinc/55/36/36/1025553636.db2.gz VTIAUJFRNHUOHL-GFCCVEGCSA-N 1 2 349.887 3.954 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000451118186 1025555191 /nfs/dbraw/zinc/55/51/91/1025555191.db2.gz XQEWAEDCGMLCQD-AZUAARDMSA-N 1 2 348.462 3.573 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000451118186 1025555209 /nfs/dbraw/zinc/55/52/09/1025555209.db2.gz XQEWAEDCGMLCQD-AZUAARDMSA-N 1 2 348.462 3.573 20 0 EHADLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882276 1025560609 /nfs/dbraw/zinc/56/06/09/1025560609.db2.gz CZKCIWHGXWMYHI-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000442882276 1025560618 /nfs/dbraw/zinc/56/06/18/1025560618.db2.gz CZKCIWHGXWMYHI-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CCc1ccc(-c2noc(C[NH+]3CC(C)(C)OC(C)(C)C3)n2)cc1 ZINC000442883005 1025562401 /nfs/dbraw/zinc/56/24/01/1025562401.db2.gz GFPDIBKTDBGRBA-UHFFFAOYSA-N 1 2 329.444 3.688 20 0 EHADLO CCC[N@H+](Cc1cnc(C)cn1)Cc1ccccc1Br ZINC000505790692 1025562829 /nfs/dbraw/zinc/56/28/29/1025562829.db2.gz OWADJTPZAWTUFQ-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO CCC[N@@H+](Cc1cnc(C)cn1)Cc1ccccc1Br ZINC000505790692 1025562841 /nfs/dbraw/zinc/56/28/41/1025562841.db2.gz OWADJTPZAWTUFQ-UHFFFAOYSA-N 1 2 334.261 3.960 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2cc(Cl)cc3cccnc32)cc1 ZINC000054230408 1025565687 /nfs/dbraw/zinc/56/56/87/1025565687.db2.gz ZODRSBRHIFFRCY-UHFFFAOYSA-N 1 2 341.798 3.734 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c(C)c1 ZINC000442887162 1025568002 /nfs/dbraw/zinc/56/80/02/1025568002.db2.gz UOFNVGOSGGHDCK-INIZCTEOSA-N 1 2 332.488 3.828 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909557604 1025569747 /nfs/dbraw/zinc/56/97/47/1025569747.db2.gz MJHLWWYZUFTASB-HNNXBMFYSA-N 1 2 328.460 3.550 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281846754 1025571931 /nfs/dbraw/zinc/57/19/31/1025571931.db2.gz AZAYPESMEZQHHS-IBGZPJMESA-N 1 2 349.478 3.728 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cncc(Br)c2)C1 ZINC000347168733 1025606387 /nfs/dbraw/zinc/60/63/87/1025606387.db2.gz OASNINNWWSRJTL-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cncc(Br)c2)C1 ZINC000347168733 1025606391 /nfs/dbraw/zinc/60/63/91/1025606391.db2.gz OASNINNWWSRJTL-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO COc1nn(C)cc1C[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC000898025258 1033294149 /nfs/dbraw/zinc/29/41/49/1033294149.db2.gz CUDFILYBDYSCRW-UHFFFAOYSA-N 1 2 339.892 3.872 20 0 EHADLO CC(C)CC1(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CCC1 ZINC000530299950 1025612240 /nfs/dbraw/zinc/61/22/40/1025612240.db2.gz UUOPGUYXZHMMMO-OAHLLOKOSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)CC1(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCC1 ZINC000530299950 1025612249 /nfs/dbraw/zinc/61/22/49/1025612249.db2.gz UUOPGUYXZHMMMO-OAHLLOKOSA-N 1 2 331.504 3.971 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000469831694 1025628788 /nfs/dbraw/zinc/62/87/88/1025628788.db2.gz PTPKKIYHDZANTD-ZFVXVEAMSA-N 1 2 327.255 3.640 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000469831694 1025628793 /nfs/dbraw/zinc/62/87/93/1025628793.db2.gz PTPKKIYHDZANTD-ZFVXVEAMSA-N 1 2 327.255 3.640 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000892225634 1025638850 /nfs/dbraw/zinc/63/88/50/1025638850.db2.gz PTAGCXWTTBKBPX-AWEZNQCLSA-N 1 2 336.476 3.916 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000892225634 1025638860 /nfs/dbraw/zinc/63/88/60/1025638860.db2.gz PTAGCXWTTBKBPX-AWEZNQCLSA-N 1 2 336.476 3.916 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000443022108 1025653389 /nfs/dbraw/zinc/65/33/89/1025653389.db2.gz OYCRZBDULPZHIU-GOSISDBHSA-N 1 2 340.471 3.699 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1(CC)CC ZINC000582255532 1025682254 /nfs/dbraw/zinc/68/22/54/1025682254.db2.gz AHMCRUXZAHOOTL-KZNAEPCWSA-N 1 2 346.450 3.607 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)[nH]2)cc1 ZINC000436409119 1025707549 /nfs/dbraw/zinc/70/75/49/1025707549.db2.gz IAQVUYATANOPDE-QZTJIDSGSA-N 1 2 348.450 3.810 20 0 EHADLO CCc1noc(C)c1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000347238156 1025707813 /nfs/dbraw/zinc/70/78/13/1025707813.db2.gz RVRXVYOUBLSXFG-UHFFFAOYSA-N 1 2 335.367 3.507 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3cncc(Br)c3C)[nH]c2c1 ZINC000657382902 1025729186 /nfs/dbraw/zinc/72/91/86/1025729186.db2.gz MYHZXZMELQTWDE-UHFFFAOYSA-N 1 2 345.244 3.627 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C2(CCOC)CCCC2)no1)c1ccccc1 ZINC000896625279 1025730915 /nfs/dbraw/zinc/73/09/15/1025730915.db2.gz YKFWCSJYWTUMLP-KRWDZBQOSA-N 1 2 343.471 3.959 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C2(CCOC)CCCC2)no1)c1ccccc1 ZINC000896625279 1025730923 /nfs/dbraw/zinc/73/09/23/1025730923.db2.gz YKFWCSJYWTUMLP-KRWDZBQOSA-N 1 2 343.471 3.959 20 0 EHADLO COc1cccc(COCCNc2cc[nH+]c3c(OC)cccc23)c1 ZINC000436448756 1025733327 /nfs/dbraw/zinc/73/33/27/1025733327.db2.gz DRNDTKWPYHGKMI-UHFFFAOYSA-N 1 2 338.407 3.881 20 0 EHADLO CCC(CC)CN(CC)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474879715 1025734335 /nfs/dbraw/zinc/73/43/35/1025734335.db2.gz NHQCXROUIHOHQC-UHFFFAOYSA-N 1 2 337.414 3.908 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000277534108 1025741574 /nfs/dbraw/zinc/74/15/74/1025741574.db2.gz YPPLSHRDPWLFFZ-ZIAGYGMSSA-N 1 2 346.475 3.965 20 0 EHADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3)[nH+]cn2)C1 ZINC000413466050 1025742633 /nfs/dbraw/zinc/74/26/33/1025742633.db2.gz BHEWTGIYSQWCKP-NFAWXSAZSA-N 1 2 346.862 3.510 20 0 EHADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3)nc[nH+]2)C1 ZINC000413466050 1025742643 /nfs/dbraw/zinc/74/26/43/1025742643.db2.gz BHEWTGIYSQWCKP-NFAWXSAZSA-N 1 2 346.862 3.510 20 0 EHADLO O=C([C@H]1CCC[C@@H]1c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000451283047 1025758816 /nfs/dbraw/zinc/75/88/16/1025758816.db2.gz FGYIIWKENIEEIA-AQNXPRMDSA-N 1 2 336.435 3.645 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000521894990 1025766041 /nfs/dbraw/zinc/76/60/41/1025766041.db2.gz ZLNGCRYOKWXOMC-QANKJYHBSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000521894990 1025766056 /nfs/dbraw/zinc/76/60/56/1025766056.db2.gz ZLNGCRYOKWXOMC-QANKJYHBSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1ccccc1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455462349 1025768198 /nfs/dbraw/zinc/76/81/98/1025768198.db2.gz CAAALLCGLORKKT-UHFFFAOYSA-N 1 2 327.428 3.770 20 0 EHADLO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000342480126 1025794553 /nfs/dbraw/zinc/79/45/53/1025794553.db2.gz MODYQRKYHGJIQS-SFHVURJKSA-N 1 2 343.471 3.945 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(Cl)cc1F ZINC000347278893 1025797243 /nfs/dbraw/zinc/79/72/43/1025797243.db2.gz ONUXNJQHIIZIOG-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(Cl)c2C)c1C ZINC000051583002 1025807054 /nfs/dbraw/zinc/80/70/54/1025807054.db2.gz WBQRKXVYYSKUFF-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000474905053 1025836154 /nfs/dbraw/zinc/83/61/54/1025836154.db2.gz FBMWEAPQQGRLMU-KBXCAEBGSA-N 1 2 341.455 3.886 20 0 EHADLO O=C(CCn1ccc2cc(Cl)ccc21)Nc1ccn2cc[nH+]c2c1 ZINC000684820949 1025855341 /nfs/dbraw/zinc/85/53/41/1025855341.db2.gz IUBXVAOSSXRLNN-UHFFFAOYSA-N 1 2 338.798 3.971 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000530471644 1025878361 /nfs/dbraw/zinc/87/83/61/1025878361.db2.gz WMDBMMSTMLVBDK-PIGZYNQJSA-N 1 2 328.799 3.963 20 0 EHADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000530471642 1025880257 /nfs/dbraw/zinc/88/02/57/1025880257.db2.gz WMDBMMSTMLVBDK-DIFFPNOSSA-N 1 2 328.799 3.963 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCc2ccc3c(c2)CCCC3)[nH+]c1C ZINC000896906904 1025889202 /nfs/dbraw/zinc/88/92/02/1025889202.db2.gz HKOQHWLBEYKGBL-UHFFFAOYSA-N 1 2 325.456 3.544 20 0 EHADLO COc1ccc(NC(C)=O)cc1NCc1cc(C)[nH+]c2c1CCCC2 ZINC000892255246 1025898129 /nfs/dbraw/zinc/89/81/29/1025898129.db2.gz XNXGKBPOUSZING-UHFFFAOYSA-N 1 2 339.439 3.848 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2cccs2)o1 ZINC000119766814 1025905618 /nfs/dbraw/zinc/90/56/18/1025905618.db2.gz YSYCNDBOHDYFTP-QWRGUYRKSA-N 1 2 343.408 3.939 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@@H]3CCCN(C)c4ccccc43)n2)c1 ZINC000582342203 1025908286 /nfs/dbraw/zinc/90/82/86/1025908286.db2.gz LKAVFEXWDVWWHQ-MRXNPFEDSA-N 1 2 349.438 3.501 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)C[C@@H](C)[C@@H]3C)cn2c1 ZINC000474946215 1025927197 /nfs/dbraw/zinc/92/71/97/1025927197.db2.gz MRHUORDJRQVVKX-OAGGEKHMSA-N 1 2 345.512 3.769 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000029810220 1025928053 /nfs/dbraw/zinc/92/80/53/1025928053.db2.gz LGJOCIMLELQIGP-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000029810220 1025928067 /nfs/dbraw/zinc/92/80/67/1025928067.db2.gz LGJOCIMLELQIGP-GFCCVEGCSA-N 1 2 332.494 3.855 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000896909718 1025930439 /nfs/dbraw/zinc/93/04/39/1025930439.db2.gz CUWBEYZCLGFFIN-CYBMUJFWSA-N 1 2 329.444 3.625 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)[nH+]c1C ZINC000896910579 1025938622 /nfs/dbraw/zinc/93/86/22/1025938622.db2.gz QJDIEFRJEINLBY-YJBOKZPZSA-N 1 2 325.456 3.960 20 0 EHADLO CCOc1ccc(C[C@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000665570546 1025955737 /nfs/dbraw/zinc/95/57/37/1025955737.db2.gz PIJLJABOPNYWKV-HNNXBMFYSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[nH+]c1C ZINC000896913185 1025962068 /nfs/dbraw/zinc/96/20/68/1025962068.db2.gz OPEQAQLREWOSQX-UHFFFAOYSA-N 1 2 331.725 3.629 20 0 EHADLO Cc1[nH]c(CNC(=O)CC2(CSc3ccccc3)CC2)[nH+]c1C ZINC000896914274 1025976359 /nfs/dbraw/zinc/97/63/59/1025976359.db2.gz XBHGKQURDXCMHN-UHFFFAOYSA-N 1 2 329.469 3.605 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](CC)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000119799314 1025993006 /nfs/dbraw/zinc/99/30/06/1025993006.db2.gz GMJNYXBADNBIKQ-SFHVURJKSA-N 1 2 345.874 3.824 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000119799314 1025993019 /nfs/dbraw/zinc/99/30/19/1025993019.db2.gz GMJNYXBADNBIKQ-SFHVURJKSA-N 1 2 345.874 3.824 20 0 EHADLO FC[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCCO1 ZINC000413474291 1026025078 /nfs/dbraw/zinc/02/50/78/1026025078.db2.gz BAWNSDOECCYRMZ-ZDUSSCGKSA-N 1 2 339.208 3.562 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cn1 ZINC000648004501 1026080222 /nfs/dbraw/zinc/08/02/22/1026080222.db2.gz MFUJWQQAEMQSAS-SFHVURJKSA-N 1 2 339.464 3.816 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)cn1 ZINC000648004501 1026080234 /nfs/dbraw/zinc/08/02/34/1026080234.db2.gz MFUJWQQAEMQSAS-SFHVURJKSA-N 1 2 339.464 3.816 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451541099 1026089013 /nfs/dbraw/zinc/08/90/13/1026089013.db2.gz LMKCJCKQLYFPLX-ABAIWWIYSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451541099 1026089033 /nfs/dbraw/zinc/08/90/33/1026089033.db2.gz LMKCJCKQLYFPLX-ABAIWWIYSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000451544676 1026090639 /nfs/dbraw/zinc/09/06/39/1026090639.db2.gz QEVCVQPUCPPTTK-GOEBONIOSA-N 1 2 338.879 3.642 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000451544676 1026090648 /nfs/dbraw/zinc/09/06/48/1026090648.db2.gz QEVCVQPUCPPTTK-GOEBONIOSA-N 1 2 338.879 3.642 20 0 EHADLO CS[C@H](C)CCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822239 1026106368 /nfs/dbraw/zinc/10/63/68/1026106368.db2.gz AKYQORWKIHXSHZ-CYBMUJFWSA-N 1 2 328.441 3.530 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451556893 1026107148 /nfs/dbraw/zinc/10/71/48/1026107148.db2.gz DUFBUQRVEYYQNL-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451556893 1026107158 /nfs/dbraw/zinc/10/71/58/1026107158.db2.gz DUFBUQRVEYYQNL-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451563094 1026115064 /nfs/dbraw/zinc/11/50/64/1026115064.db2.gz JOCMCVQGQZTIBP-UHIISALHSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451563094 1026115071 /nfs/dbraw/zinc/11/50/71/1026115071.db2.gz JOCMCVQGQZTIBP-UHIISALHSA-N 1 2 345.270 3.677 20 0 EHADLO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436748946 1026138048 /nfs/dbraw/zinc/13/80/48/1026138048.db2.gz WMCQQRQLPPBDSY-NSHDSACASA-N 1 2 345.270 3.693 20 0 EHADLO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436748946 1026138060 /nfs/dbraw/zinc/13/80/60/1026138060.db2.gz WMCQQRQLPPBDSY-NSHDSACASA-N 1 2 345.270 3.693 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)ccc1F ZINC000030218628 1026145301 /nfs/dbraw/zinc/14/53/01/1026145301.db2.gz IWZQADAERZAHIS-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nccc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000451698625 1026217892 /nfs/dbraw/zinc/21/78/92/1026217892.db2.gz ZKZRAAHRBPLDHK-OAHLLOKOSA-N 1 2 339.361 3.671 20 0 EHADLO CCCCCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000475127150 1026221788 /nfs/dbraw/zinc/22/17/88/1026221788.db2.gz HUPZPGBVAPZZDD-UXHICEINSA-N 1 2 345.483 3.826 20 0 EHADLO CCCCCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000475127150 1026221795 /nfs/dbraw/zinc/22/17/95/1026221795.db2.gz HUPZPGBVAPZZDD-UXHICEINSA-N 1 2 345.483 3.826 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000530699098 1026227811 /nfs/dbraw/zinc/22/78/11/1026227811.db2.gz KTURXSGRDFOQDD-LJQANCHMSA-N 1 2 343.423 3.511 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000530699098 1026227823 /nfs/dbraw/zinc/22/78/23/1026227823.db2.gz KTURXSGRDFOQDD-LJQANCHMSA-N 1 2 343.423 3.511 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000530703294 1026231130 /nfs/dbraw/zinc/23/11/30/1026231130.db2.gz FKHMJEDVYMZFBI-GOSISDBHSA-N 1 2 342.414 3.697 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000530703294 1026231140 /nfs/dbraw/zinc/23/11/40/1026231140.db2.gz FKHMJEDVYMZFBI-GOSISDBHSA-N 1 2 342.414 3.697 20 0 EHADLO O=C([C@@H]1CCCCC1(F)F)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000451692085 1026231818 /nfs/dbraw/zinc/23/18/18/1026231818.db2.gz SFKVCIJUDQOEJN-LSDHHAIUSA-N 1 2 342.817 3.638 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000582447586 1026278590 /nfs/dbraw/zinc/27/85/90/1026278590.db2.gz UCPUPJJNSZPPCE-LSDHHAIUSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)n1C ZINC000530778564 1026286572 /nfs/dbraw/zinc/28/65/72/1026286572.db2.gz ABHYHDSLJBGUQW-INIZCTEOSA-N 1 2 346.496 3.567 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)n1C ZINC000530778564 1026286584 /nfs/dbraw/zinc/28/65/84/1026286584.db2.gz ABHYHDSLJBGUQW-INIZCTEOSA-N 1 2 346.496 3.567 20 0 EHADLO c1ccc(-n2nnc(C[NH2+][C@@H]3CCCc4cccnc43)c2C2CC2)cc1 ZINC000897071198 1026296855 /nfs/dbraw/zinc/29/68/55/1026296855.db2.gz YSPDWYXIHATAAP-GOSISDBHSA-N 1 2 345.450 3.707 20 0 EHADLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934475367 1026313678 /nfs/dbraw/zinc/31/36/78/1026313678.db2.gz LALCYRGOMZVGOI-NRFANRHFSA-N 1 2 349.434 3.891 20 0 EHADLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934475367 1026313692 /nfs/dbraw/zinc/31/36/92/1026313692.db2.gz LALCYRGOMZVGOI-NRFANRHFSA-N 1 2 349.434 3.891 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836914 1026317805 /nfs/dbraw/zinc/31/78/05/1026317805.db2.gz LPWFLUOKHCYLSR-KBXCAEBGSA-N 1 2 342.414 3.651 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836914 1026317821 /nfs/dbraw/zinc/31/78/21/1026317821.db2.gz LPWFLUOKHCYLSR-KBXCAEBGSA-N 1 2 342.414 3.651 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846531 1026341918 /nfs/dbraw/zinc/34/19/18/1026341918.db2.gz WQXHXVJGMMRCMD-CSKOPFHVSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846531 1026341932 /nfs/dbraw/zinc/34/19/32/1026341932.db2.gz WQXHXVJGMMRCMD-CSKOPFHVSA-N 1 2 330.472 3.890 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000119841618 1026366087 /nfs/dbraw/zinc/36/60/87/1026366087.db2.gz RWZHTKBXTFHCDP-IBGZPJMESA-N 1 2 325.456 3.561 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000119841618 1026366098 /nfs/dbraw/zinc/36/60/98/1026366098.db2.gz RWZHTKBXTFHCDP-IBGZPJMESA-N 1 2 325.456 3.561 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110048 1026371289 /nfs/dbraw/zinc/37/12/89/1026371289.db2.gz DACCMJRUZHYAAS-IRXDYDNUSA-N 1 2 341.455 3.927 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110048 1026371297 /nfs/dbraw/zinc/37/12/97/1026371297.db2.gz DACCMJRUZHYAAS-IRXDYDNUSA-N 1 2 341.455 3.927 20 0 EHADLO Cc1nc(NCc2nc(C(C)(C)C)co2)c(Br)c(C)[nH+]1 ZINC000897172867 1026446688 /nfs/dbraw/zinc/44/66/88/1026446688.db2.gz ZDYHFNRRFFBCJJ-UHFFFAOYSA-N 1 2 339.237 3.754 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+](Cc2ccccc2OC)C2CC2)c1 ZINC000511142192 1026455712 /nfs/dbraw/zinc/45/57/12/1026455712.db2.gz DYEDOCLZLDZVEF-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+](Cc2ccccc2OC)C2CC2)c1 ZINC000511142192 1026455716 /nfs/dbraw/zinc/45/57/16/1026455716.db2.gz DYEDOCLZLDZVEF-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000475302445 1026456412 /nfs/dbraw/zinc/45/64/12/1026456412.db2.gz MEESTWNXGFXZPX-POGDKVGISA-N 1 2 334.463 3.648 20 0 EHADLO CCOc1cc(CNc2ccc(N3CCCCC3)[nH+]c2)ccc1O ZINC000324917665 1026477610 /nfs/dbraw/zinc/47/76/10/1026477610.db2.gz YTQFAXFRVJIFDK-UHFFFAOYSA-N 1 2 327.428 3.788 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000152674329 1026510652 /nfs/dbraw/zinc/51/06/52/1026510652.db2.gz CHKCCXXLPFXTSS-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccoc1 ZINC000342629192 1026511534 /nfs/dbraw/zinc/51/15/34/1026511534.db2.gz DNFXQKUWBWHCIE-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342629192 1026511540 /nfs/dbraw/zinc/51/15/40/1026511540.db2.gz DNFXQKUWBWHCIE-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000277678064 1026526275 /nfs/dbraw/zinc/52/62/75/1026526275.db2.gz KJZOXNPICXELQY-UHFFFAOYSA-N 1 2 347.466 3.652 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1SCCS1 ZINC000277678937 1026530696 /nfs/dbraw/zinc/53/06/96/1026530696.db2.gz LDSFRJIJRDJSOA-UHFFFAOYSA-N 1 2 345.493 3.631 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000531082606 1026546938 /nfs/dbraw/zinc/54/69/38/1026546938.db2.gz AXIVOSPRFPHNQO-UHFFFAOYSA-N 1 2 340.349 3.812 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC=CCC3)n2)C1 ZINC000523023542 1026578416 /nfs/dbraw/zinc/57/84/16/1026578416.db2.gz OUUSAHUPZDZUKM-KBPBESRZSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC=CCC3)n2)C1 ZINC000523023542 1026578418 /nfs/dbraw/zinc/57/84/18/1026578418.db2.gz OUUSAHUPZDZUKM-KBPBESRZSA-N 1 2 334.489 3.605 20 0 EHADLO CC[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000665625416 1026611195 /nfs/dbraw/zinc/61/11/95/1026611195.db2.gz CIZLLUTVJLGRJV-DAYGRLMNSA-N 1 2 345.487 3.606 20 0 EHADLO CC[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000665625416 1026611198 /nfs/dbraw/zinc/61/11/98/1026611198.db2.gz CIZLLUTVJLGRJV-DAYGRLMNSA-N 1 2 345.487 3.606 20 0 EHADLO CC(C)[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000531154692 1026615699 /nfs/dbraw/zinc/61/56/99/1026615699.db2.gz QTMBRFQURRXZIS-QGZVFWFLSA-N 1 2 333.863 3.873 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000073171756 1026629701 /nfs/dbraw/zinc/62/97/01/1026629701.db2.gz KRNJQAXOPLMKHG-OALUTQOASA-N 1 2 337.467 3.786 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000122687653 1026647482 /nfs/dbraw/zinc/64/74/82/1026647482.db2.gz HAQNINVRKUKBPT-NRFANRHFSA-N 1 2 345.446 3.741 20 0 EHADLO CCN(CC(=O)Nc1c(F)cccc1F)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301072966 1026675328 /nfs/dbraw/zinc/67/53/28/1026675328.db2.gz WKUATKHMSJNHQO-UHFFFAOYSA-N 1 2 348.397 3.652 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000452338417 1026680121 /nfs/dbraw/zinc/68/01/21/1026680121.db2.gz BSYPRCQWZVNIHW-QWHCGFSZSA-N 1 2 349.356 3.980 20 0 EHADLO CC(C)[C@H]1C[C@H](Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CS1 ZINC000475440964 1026705515 /nfs/dbraw/zinc/70/55/15/1026705515.db2.gz OLAQINOHNFKQHC-HDEZJCGLSA-N 1 2 335.517 3.637 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582597591 1026706974 /nfs/dbraw/zinc/70/69/74/1026706974.db2.gz VHSAGUFCFNOFTJ-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452416188 1026735084 /nfs/dbraw/zinc/73/50/84/1026735084.db2.gz HZWKWJIFOPNVAR-HKUYNNGSSA-N 1 2 325.456 3.878 20 0 EHADLO C[NH+](C)[C@H](CNc1ncnc2sccc21)c1c(F)cccc1F ZINC000301259332 1026741219 /nfs/dbraw/zinc/74/12/19/1026741219.db2.gz FAJNUOYGWXNAJB-CYBMUJFWSA-N 1 2 334.395 3.684 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301281339 1026747506 /nfs/dbraw/zinc/74/75/06/1026747506.db2.gz TYGYYMZEMPXMTE-CQSZACIVSA-N 1 2 344.409 3.709 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301281339 1026747510 /nfs/dbraw/zinc/74/75/10/1026747510.db2.gz TYGYYMZEMPXMTE-CQSZACIVSA-N 1 2 344.409 3.709 20 0 EHADLO CCc1ccc(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000531300502 1026778913 /nfs/dbraw/zinc/77/89/13/1026778913.db2.gz CGYABSYCUUZYMK-UHFFFAOYSA-N 1 2 333.435 3.716 20 0 EHADLO Cc1cccc([C@@H](CNc2ccc(Cl)cn2)[NH+]2CCOCC2)c1 ZINC000301417926 1026798462 /nfs/dbraw/zinc/79/84/62/1026798462.db2.gz CTMRESRBGVYFKJ-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO O=C(C=C1CCCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000728499358 1026801986 /nfs/dbraw/zinc/80/19/86/1026801986.db2.gz UYTNPILCDBJMHW-UHFFFAOYSA-N 1 2 349.438 3.762 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000277754338 1026810262 /nfs/dbraw/zinc/81/02/62/1026810262.db2.gz RGWGJWXKQNSEIB-GOEBONIOSA-N 1 2 339.439 3.640 20 0 EHADLO C[C@@H](CCc1cccn1C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301483746 1026822204 /nfs/dbraw/zinc/82/22/04/1026822204.db2.gz ZVANFFNFUWIOIP-HNNXBMFYSA-N 1 2 346.438 3.587 20 0 EHADLO CC(C)=CCC[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000452544951 1026829414 /nfs/dbraw/zinc/82/94/14/1026829414.db2.gz TWKWESGZOWLISX-LBPRGKRZSA-N 1 2 335.398 3.874 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H](c1ccccc1)C1CC1 ZINC000582634941 1026832661 /nfs/dbraw/zinc/83/26/61/1026832661.db2.gz MXQKPMXPUKXEFR-JOCHJYFZSA-N 1 2 345.446 3.741 20 0 EHADLO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000531385436 1026874273 /nfs/dbraw/zinc/87/42/73/1026874273.db2.gz RQCFIXMBFBBJPX-UHFFFAOYSA-N 1 2 345.830 3.555 20 0 EHADLO Cc1nc(N2CCC(Oc3ccc(F)cc3F)CC2)c(C)c(C)[nH+]1 ZINC000301690822 1026902213 /nfs/dbraw/zinc/90/22/13/1026902213.db2.gz NOMBDBCGTZHENE-UHFFFAOYSA-N 1 2 333.382 3.728 20 0 EHADLO Cc1cccc(-c2noc(COc3ccccc3-n3cc[nH+]c3)n2)c1 ZINC000531433039 1026907041 /nfs/dbraw/zinc/90/70/41/1026907041.db2.gz WUVBTOUSTGVZHH-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCS1 ZINC000277784326 1026926432 /nfs/dbraw/zinc/92/64/32/1026926432.db2.gz UNCLABMOXLTNLS-INIZCTEOSA-N 1 2 327.453 3.721 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000301750264 1026926498 /nfs/dbraw/zinc/92/64/98/1026926498.db2.gz UGRUFKUBKRKRDR-UHFFFAOYSA-N 1 2 332.835 3.637 20 0 EHADLO C[C@@H](O)[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301800098 1026943137 /nfs/dbraw/zinc/94/31/37/1026943137.db2.gz VTKXVDOABMHYQG-VXGBXAGGSA-N 1 2 335.245 3.595 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1-n1cccn1 ZINC000301807350 1026946648 /nfs/dbraw/zinc/94/66/48/1026946648.db2.gz CFYXVAALPOXGNI-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1-n1cccn1 ZINC000301807350 1026946661 /nfs/dbraw/zinc/94/66/61/1026946661.db2.gz CFYXVAALPOXGNI-AWEZNQCLSA-N 1 2 334.427 3.657 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)n1 ZINC000153029711 1026956523 /nfs/dbraw/zinc/95/65/23/1026956523.db2.gz GLHPCBUZNMOFOY-UHFFFAOYSA-N 1 2 328.460 3.797 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000531472143 1026959406 /nfs/dbraw/zinc/95/94/06/1026959406.db2.gz TYAQMRKGBHSENF-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000531472143 1026959414 /nfs/dbraw/zinc/95/94/14/1026959414.db2.gz TYAQMRKGBHSENF-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C12CCCC2 ZINC000301850937 1026963303 /nfs/dbraw/zinc/96/33/03/1026963303.db2.gz ALQBNQWQWFDFAP-CABCVRRESA-N 1 2 343.475 3.731 20 0 EHADLO CC(C)c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000301849431 1026963440 /nfs/dbraw/zinc/96/34/40/1026963440.db2.gz DGYLLCQSBSDCOB-GFCCVEGCSA-N 1 2 330.398 3.772 20 0 EHADLO Nc1nc(NC[C@@H](O)c2ccc(Cl)cc2Cl)[nH+]c2ccccc12 ZINC000301862106 1026969544 /nfs/dbraw/zinc/96/95/44/1026969544.db2.gz CNMDHXRADRYLRL-CQSZACIVSA-N 1 2 349.221 3.664 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1(c2ccc(F)cc2)CC1 ZINC000301876375 1026974365 /nfs/dbraw/zinc/97/43/65/1026974365.db2.gz ITJXNSVPFWUISQ-UHFFFAOYSA-N 1 2 339.418 3.864 20 0 EHADLO CN(C[C@@H]1CCC[C@@H]1O)c1cc[nH+]c2c(Br)cccc12 ZINC000301875445 1026974969 /nfs/dbraw/zinc/97/49/69/1026974969.db2.gz YDMMCQBHALMYCA-NHYWBVRUSA-N 1 2 335.245 3.595 20 0 EHADLO Nc1nc(NC[C@@H]2CCCO[C@H]2c2ccccc2)[nH+]c2ccccc12 ZINC000301886450 1026979839 /nfs/dbraw/zinc/97/98/39/1026979839.db2.gz PBEFGDLJZFETFZ-YJBOKZPZSA-N 1 2 334.423 3.792 20 0 EHADLO Nc1nc(NCc2ccc(-c3cccnc3)cc2)[nH+]c2ccccc12 ZINC000301885626 1026980382 /nfs/dbraw/zinc/98/03/82/1026980382.db2.gz KBPIPPZOESCTRD-UHFFFAOYSA-N 1 2 327.391 3.886 20 0 EHADLO Cc1cc(C)cc(OCCNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301902617 1026986712 /nfs/dbraw/zinc/98/67/12/1026986712.db2.gz WPDPXASHJMYVNZ-UHFFFAOYSA-N 1 2 339.443 3.689 20 0 EHADLO CCc1nc(N(Cc2cccc(OC)c2)C[C@H]2CCCO2)cc(C)[nH+]1 ZINC000342782849 1027031131 /nfs/dbraw/zinc/03/11/31/1027031131.db2.gz PDHLMCRYQNJQOO-GOSISDBHSA-N 1 2 341.455 3.542 20 0 EHADLO CCc1nc(N(Cc2ccccc2OC)C[C@H]2CCCO2)cc(C)[nH+]1 ZINC000342783018 1027032053 /nfs/dbraw/zinc/03/20/53/1027032053.db2.gz QBFLPSVDMYMKDS-QGZVFWFLSA-N 1 2 341.455 3.542 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccccc2CC1 ZINC000582721751 1027038840 /nfs/dbraw/zinc/03/88/40/1027038840.db2.gz HTGYRGTXVMKDEH-FQEVSTJZSA-N 1 2 345.446 3.559 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)c2)n1 ZINC000531566689 1027055706 /nfs/dbraw/zinc/05/57/06/1027055706.db2.gz JTBANUKIWRSBFO-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000531580981 1027068383 /nfs/dbraw/zinc/06/83/83/1027068383.db2.gz QEXOZUJKUZVNQL-QXAKKESOSA-N 1 2 325.456 3.562 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1(C)C ZINC000665702059 1027089125 /nfs/dbraw/zinc/08/91/25/1027089125.db2.gz WDKUHRCJXALRDJ-MRXNPFEDSA-N 1 2 334.508 3.910 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000277828515 1027094987 /nfs/dbraw/zinc/09/49/87/1027094987.db2.gz YNVCFVICBSKOTB-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)o1 ZINC000894267629 1027106056 /nfs/dbraw/zinc/10/60/56/1027106056.db2.gz BWAVSIBWYHMGNN-INIZCTEOSA-N 1 2 348.443 3.557 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000125678791 1027108730 /nfs/dbraw/zinc/10/87/30/1027108730.db2.gz UYERCXKLZMVFES-NRFANRHFSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1nc(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c2c([nH+]1)CCCC2 ZINC000272840316 1027140522 /nfs/dbraw/zinc/14/05/22/1027140522.db2.gz IPNGVOJPTKIYJF-LBPRGKRZSA-N 1 2 336.439 3.722 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000126117006 1027163007 /nfs/dbraw/zinc/16/30/07/1027163007.db2.gz VBWQRULEZUQDAF-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552594 1027167401 /nfs/dbraw/zinc/16/74/01/1027167401.db2.gz GYZFIKCHZZSNRE-HZPDHXFCSA-N 1 2 341.455 3.708 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)csc2C1 ZINC000075552450 1027167682 /nfs/dbraw/zinc/16/76/82/1027167682.db2.gz WXEFKTXBUUNTQG-CHWSQXEVSA-N 1 2 329.469 3.616 20 0 EHADLO Cc1cc(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000075555127 1027170458 /nfs/dbraw/zinc/17/04/58/1027170458.db2.gz IPMIVGPLERIVPR-MRXNPFEDSA-N 1 2 341.455 3.627 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnn(-c3ccccc3)c2)c(F)c1F ZINC000430035546 1027174525 /nfs/dbraw/zinc/17/45/25/1027174525.db2.gz QHVDYTKZFLSOBB-UHFFFAOYSA-N 1 2 335.304 3.719 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc(C)c1Br)CCC2 ZINC000342802409 1027183648 /nfs/dbraw/zinc/18/36/48/1027183648.db2.gz LYHLYPLVLOYZBL-GFCCVEGCSA-N 1 2 335.249 3.647 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000272962074 1027199786 /nfs/dbraw/zinc/19/97/86/1027199786.db2.gz QFAFHEHNGYGZIH-CXAGYDPISA-N 1 2 330.453 3.778 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000272962074 1027199793 /nfs/dbraw/zinc/19/97/93/1027199793.db2.gz QFAFHEHNGYGZIH-CXAGYDPISA-N 1 2 330.453 3.778 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959600 1027212378 /nfs/dbraw/zinc/21/23/78/1027212378.db2.gz AFRUNKMKIHDEHF-LBPRGKRZSA-N 1 2 345.472 3.547 20 0 EHADLO CC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302686957 1027238561 /nfs/dbraw/zinc/23/85/61/1027238561.db2.gz APZQDOKJPTUFRG-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302686957 1027238580 /nfs/dbraw/zinc/23/85/80/1027238580.db2.gz APZQDOKJPTUFRG-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO C[C@@H](c1ccccc1Br)N1CC[NH+](Cc2ccco2)CC1 ZINC000513713941 1027265854 /nfs/dbraw/zinc/26/58/54/1027265854.db2.gz VVMVSDLLVRPKCD-AWEZNQCLSA-N 1 2 349.272 3.921 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000302755282 1027272361 /nfs/dbraw/zinc/27/23/61/1027272361.db2.gz IJNNTPLJNJLYBN-OAHLLOKOSA-N 1 2 342.439 3.531 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](Nc1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000302769140 1027281457 /nfs/dbraw/zinc/28/14/57/1027281457.db2.gz AYZOAVGMLJVVKR-GOSISDBHSA-N 1 2 338.455 3.536 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](Nc1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000302769140 1027281470 /nfs/dbraw/zinc/28/14/70/1027281470.db2.gz AYZOAVGMLJVVKR-GOSISDBHSA-N 1 2 338.455 3.536 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(OC(F)F)c1 ZINC000302780303 1027286081 /nfs/dbraw/zinc/28/60/81/1027286081.db2.gz INQBSOLVBWXFJE-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(OC(F)F)c1 ZINC000302780303 1027286100 /nfs/dbraw/zinc/28/61/00/1027286100.db2.gz INQBSOLVBWXFJE-GFCCVEGCSA-N 1 2 334.370 3.851 20 0 EHADLO COCCc1nsc(Nc2ccc([NH+]3CCC(C)CC3)cc2)n1 ZINC000302813488 1027305703 /nfs/dbraw/zinc/30/57/03/1027305703.db2.gz HUFWCOQFPNYAEU-UHFFFAOYSA-N 1 2 332.473 3.707 20 0 EHADLO Clc1ccc([C@H]2OCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302820363 1027309455 /nfs/dbraw/zinc/30/94/55/1027309455.db2.gz CXYOWRRNUPKFML-MAUKXSAKSA-N 1 2 344.846 3.672 20 0 EHADLO Clc1ccc([C@H]2OCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302820363 1027309473 /nfs/dbraw/zinc/30/94/73/1027309473.db2.gz CXYOWRRNUPKFML-MAUKXSAKSA-N 1 2 344.846 3.672 20 0 EHADLO c1cc2c(s1)CCC[C@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302821466 1027310441 /nfs/dbraw/zinc/31/04/41/1027310441.db2.gz DLKOCBBAVCPBMS-CYBMUJFWSA-N 1 2 332.498 3.581 20 0 EHADLO c1cc2c(s1)CCC[C@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302821466 1027310461 /nfs/dbraw/zinc/31/04/61/1027310461.db2.gz DLKOCBBAVCPBMS-CYBMUJFWSA-N 1 2 332.498 3.581 20 0 EHADLO c1oc(-c2ccccc2)nc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000657569489 1027325031 /nfs/dbraw/zinc/32/50/31/1027325031.db2.gz KNVJLIPCNYZJPB-UHFFFAOYSA-N 1 2 334.423 3.627 20 0 EHADLO Clc1ccc([C@@H]2CN(c3nccn4c[nH+]cc34)CCO2)cc1Cl ZINC000892295302 1027334302 /nfs/dbraw/zinc/33/43/02/1027334302.db2.gz JMFCDKJUBBVECM-HNNXBMFYSA-N 1 2 349.221 3.614 20 0 EHADLO CCC[C@H]1SCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000609882701 1027395067 /nfs/dbraw/zinc/39/50/67/1027395067.db2.gz JKMGFBZTNFQWGX-QGZVFWFLSA-N 1 2 349.525 3.578 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(-c4ccccc4)o3)n2)C1 ZINC000273372062 1027400665 /nfs/dbraw/zinc/40/06/65/1027400665.db2.gz VSVOCQDQNSBHRS-QGZVFWFLSA-N 1 2 339.395 3.778 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(-c4ccccc4)o3)n2)C1 ZINC000273372062 1027400677 /nfs/dbraw/zinc/40/06/77/1027400677.db2.gz VSVOCQDQNSBHRS-QGZVFWFLSA-N 1 2 339.395 3.778 20 0 EHADLO CCCc1nc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273416023 1027417190 /nfs/dbraw/zinc/41/71/90/1027417190.db2.gz JCFFNBDUHFNZET-HOTGVXAUSA-N 1 2 333.407 3.513 20 0 EHADLO CCCc1nc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273416023 1027417200 /nfs/dbraw/zinc/41/72/00/1027417200.db2.gz JCFFNBDUHFNZET-HOTGVXAUSA-N 1 2 333.407 3.513 20 0 EHADLO Cc1nn2c(C[NH+]3CCC(CC(F)(F)F)CC3)c(C)nc2s1 ZINC000342842294 1027604520 /nfs/dbraw/zinc/60/45/20/1027604520.db2.gz PSFOHLMBMXHFAH-UHFFFAOYSA-N 1 2 332.395 3.572 20 0 EHADLO CCn1c(C[NH2+][C@@H](COC)c2cccc(OC)c2)nc2ccccc21 ZINC000657611755 1027627547 /nfs/dbraw/zinc/62/75/47/1027627547.db2.gz PQNKKTOTIXVSPL-SFHVURJKSA-N 1 2 339.439 3.542 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCCC[C@H]3C)cn2c1 ZINC000501907750 1027632102 /nfs/dbraw/zinc/63/21/02/1027632102.db2.gz LYOXOTOLIVXHNH-WBVHZDCISA-N 1 2 345.512 3.913 20 0 EHADLO Cc1cc(CNC(=O)N[C@@](C)(Cc2ccccc2)C2CC2)cc(C)[nH+]1 ZINC000422198801 1027634089 /nfs/dbraw/zinc/63/40/89/1027634089.db2.gz CUUXUEKAZHBLRX-NRFANRHFSA-N 1 2 337.467 3.909 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1Cl ZINC000130316465 1027657473 /nfs/dbraw/zinc/65/74/73/1027657473.db2.gz WBZHCYGSLYLSNO-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000078329970 1027664033 /nfs/dbraw/zinc/66/40/33/1027664033.db2.gz AYOQJLMXOOIXFR-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H]([C@H]4CCOC4)C3)cc[nH+]c12 ZINC000501958977 1027667463 /nfs/dbraw/zinc/66/74/63/1027667463.db2.gz ROWOYLSGMNLTQM-CVEARBPZSA-N 1 2 326.440 3.886 20 0 EHADLO Nc1cc(CNc2nccc3cccc(Br)c32)cc[nH+]1 ZINC001167616300 1027694896 /nfs/dbraw/zinc/69/48/96/1027694896.db2.gz FKPDHENMLAIFDJ-UHFFFAOYSA-N 1 2 329.201 3.587 20 0 EHADLO Cc1cc(N2CC[C@H]([C@@H](C)O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000503276890 1027700588 /nfs/dbraw/zinc/70/05/88/1027700588.db2.gz SOGXLESHANPGGD-NEPJUHHUSA-N 1 2 340.345 3.649 20 0 EHADLO CC[C@@H]1CCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455111415 1027720378 /nfs/dbraw/zinc/72/03/78/1027720378.db2.gz SCLNYCJQNQVKDV-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000130948432 1027721236 /nfs/dbraw/zinc/72/12/36/1027721236.db2.gz MSGBXEPSPCKCSO-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000130948432 1027721255 /nfs/dbraw/zinc/72/12/55/1027721255.db2.gz MSGBXEPSPCKCSO-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)ccc2o1 ZINC000130951652 1027721672 /nfs/dbraw/zinc/72/16/72/1027721672.db2.gz XYZMERDMIJRLDL-LBPRGKRZSA-N 1 2 338.411 3.523 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)cc2OC(C)C)c[nH+]1 ZINC000455114831 1027730390 /nfs/dbraw/zinc/73/03/90/1027730390.db2.gz UVNJDIAXVWUGHB-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO Cc1nc2c(s1)c(-c1ccccc1)nnc2NCc1cc[nH+]c(N)c1 ZINC001167617469 1027733656 /nfs/dbraw/zinc/73/36/56/1027733656.db2.gz QXZCKIJOFFOFAX-UHFFFAOYSA-N 1 2 348.435 3.651 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCSc3ccccc32)c[nH+]1 ZINC000454243415 1027765382 /nfs/dbraw/zinc/76/53/82/1027765382.db2.gz OSFQRXXEOCHIJB-INIZCTEOSA-N 1 2 327.453 3.735 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000582805156 1027772403 /nfs/dbraw/zinc/77/24/03/1027772403.db2.gz HEMHJZOMNFEZIK-SQNIBIBYSA-N 1 2 338.455 3.600 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000503415929 1027780821 /nfs/dbraw/zinc/78/08/21/1027780821.db2.gz TVPYRTUYJKMZSR-ZWKOTPCHSA-N 1 2 340.471 3.886 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc(C)[nH+]1 ZINC000420840652 1027783709 /nfs/dbraw/zinc/78/37/09/1027783709.db2.gz AVXIFJUOKZQULD-UHFFFAOYSA-N 1 2 341.430 3.959 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000614800441 1027784453 /nfs/dbraw/zinc/78/44/53/1027784453.db2.gz PYGDFRSBBYTUBT-UYSNPLJNSA-N 1 2 343.389 3.729 20 0 EHADLO CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420849284 1027791004 /nfs/dbraw/zinc/79/10/04/1027791004.db2.gz NOBYCMAWXDCUJL-LJQANCHMSA-N 1 2 341.455 4.000 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420856607 1027803340 /nfs/dbraw/zinc/80/33/40/1027803340.db2.gz YOPYQBLPFMNFHH-QGZVFWFLSA-N 1 2 341.430 3.612 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420875197 1027809221 /nfs/dbraw/zinc/80/92/21/1027809221.db2.gz ZNXFTTJXANZCEW-AWEZNQCLSA-N 1 2 329.469 3.981 20 0 EHADLO Cn1ncc2c1CCC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000414477503 1027857144 /nfs/dbraw/zinc/85/71/44/1027857144.db2.gz ZPEHPYSBQQSLKF-UHFFFAOYSA-N 1 2 341.789 3.623 20 0 EHADLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000414477503 1027857164 /nfs/dbraw/zinc/85/71/64/1027857164.db2.gz ZPEHPYSBQQSLKF-UHFFFAOYSA-N 1 2 341.789 3.623 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(C)nc1C1CCC1 ZINC000665870509 1027870123 /nfs/dbraw/zinc/87/01/23/1027870123.db2.gz ZWPDXZUSLFHIRR-UHFFFAOYSA-N 1 2 335.411 3.638 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940570 1027895288 /nfs/dbraw/zinc/89/52/88/1027895288.db2.gz DPXGKWYQWNWPNY-OLZOCXBDSA-N 1 2 349.418 3.816 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940570 1027895307 /nfs/dbraw/zinc/89/53/07/1027895307.db2.gz DPXGKWYQWNWPNY-OLZOCXBDSA-N 1 2 349.418 3.816 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)ccc(F)c1F ZINC000132404286 1027921049 /nfs/dbraw/zinc/92/10/49/1027921049.db2.gz CFBKYDODYKUJDT-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420957145 1027925371 /nfs/dbraw/zinc/92/53/71/1027925371.db2.gz ZIADKCOPXIADGY-PWSUYJOCSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420957145 1027925386 /nfs/dbraw/zinc/92/53/86/1027925386.db2.gz ZIADKCOPXIADGY-PWSUYJOCSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420957144 1027926601 /nfs/dbraw/zinc/92/66/01/1027926601.db2.gz ZIADKCOPXIADGY-JQWIXIFHSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420957144 1027926612 /nfs/dbraw/zinc/92/66/12/1027926612.db2.gz ZIADKCOPXIADGY-JQWIXIFHSA-N 1 2 349.422 3.751 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C[C@H](CC)O1 ZINC000420964944 1027935875 /nfs/dbraw/zinc/93/58/75/1027935875.db2.gz XOYHWEYQTZNODS-OAGGEKHMSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C[C@H](CC)O1 ZINC000420964944 1027935898 /nfs/dbraw/zinc/93/58/98/1027935898.db2.gz XOYHWEYQTZNODS-OAGGEKHMSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503596646 1027940159 /nfs/dbraw/zinc/94/01/59/1027940159.db2.gz BMDJNBLKYQTZSH-OTWHNJEPSA-N 1 2 347.499 3.734 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000132678758 1027953649 /nfs/dbraw/zinc/95/36/49/1027953649.db2.gz UWBSRVLHHHXASE-IRXDYDNUSA-N 1 2 331.504 3.808 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)nc1 ZINC000353092456 1027962137 /nfs/dbraw/zinc/96/21/37/1027962137.db2.gz DNYKDWXIOVRSTG-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](CC(F)F)c2ccccc2)n1 ZINC000420991812 1027970504 /nfs/dbraw/zinc/97/05/04/1027970504.db2.gz JLFGWABYSUDFOH-GFCCVEGCSA-N 1 2 340.395 3.806 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444512535 1028015306 /nfs/dbraw/zinc/01/53/06/1028015306.db2.gz UYQSFTVYMCNSBE-MJGOQNOKSA-N 1 2 343.430 3.624 20 0 EHADLO Fc1cc2[nH+]ccc(N[C@@H]3CCOC34CCOCC4)c2cc1Cl ZINC000897326504 1028017024 /nfs/dbraw/zinc/01/70/24/1028017024.db2.gz JFXSHXDNJBIJQZ-MRXNPFEDSA-N 1 2 336.794 3.777 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000133343614 1028019310 /nfs/dbraw/zinc/01/93/10/1028019310.db2.gz LGPCIASYHLDMLE-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000133343614 1028019322 /nfs/dbraw/zinc/01/93/22/1028019322.db2.gz LGPCIASYHLDMLE-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421046754 1028032466 /nfs/dbraw/zinc/03/24/66/1028032466.db2.gz OVOUNHSZIWGOJR-UHFFFAOYSA-N 1 2 340.427 3.677 20 0 EHADLO C[NH2+]Cc1noc(C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000414495849 1028043252 /nfs/dbraw/zinc/04/32/52/1028043252.db2.gz CIKHTKAXTFQXIR-UHFFFAOYSA-N 1 2 325.334 3.668 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OC(C)C)cc2F)cc(C)[nH+]1 ZINC000421061612 1028045193 /nfs/dbraw/zinc/04/51/93/1028045193.db2.gz YMGRPAPQWCKNBZ-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO COc1ccnc(C[NH2+]Cc2sc(C)cc2Br)c1F ZINC000657675024 1028046787 /nfs/dbraw/zinc/04/67/87/1028046787.db2.gz WXJCFXQIVNOHIB-UHFFFAOYSA-N 1 2 345.237 3.652 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc(C)[nH+]1 ZINC000421065808 1028048270 /nfs/dbraw/zinc/04/82/70/1028048270.db2.gz KWGBWARUMRXCJM-UHFFFAOYSA-N 1 2 325.412 3.734 20 0 EHADLO Cc1csc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000455360357 1028066157 /nfs/dbraw/zinc/06/61/57/1028066157.db2.gz UFUFUKUCJFVQLS-AWEZNQCLSA-N 1 2 349.525 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3cc(F)cc(F)c3)ccc2[nH+]1 ZINC000434142735 1028074718 /nfs/dbraw/zinc/07/47/18/1028074718.db2.gz PVZMSQGGXJHMFS-UHFFFAOYSA-N 1 2 330.338 3.585 20 0 EHADLO CCc1ccc(C[N@H+](Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000444598129 1028083383 /nfs/dbraw/zinc/08/33/83/1028083383.db2.gz PRFXVALCYWABGB-UHFFFAOYSA-N 1 2 332.451 3.994 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000444598129 1028083396 /nfs/dbraw/zinc/08/33/96/1028083396.db2.gz PRFXVALCYWABGB-UHFFFAOYSA-N 1 2 332.451 3.994 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(C(F)(F)F)nc2C)cc(C)[nH+]1 ZINC000421110820 1028094278 /nfs/dbraw/zinc/09/42/78/1028094278.db2.gz BPQKPDLRILESOT-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO COc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1OC(C)C ZINC000421101402 1028105896 /nfs/dbraw/zinc/10/58/96/1028105896.db2.gz SIKYYPBWIRDALJ-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1ccccc1 ZINC000423023249 1028121725 /nfs/dbraw/zinc/12/17/25/1028121725.db2.gz HCVNCPDUGLXMBE-KDOFPFPSSA-N 1 2 332.394 3.521 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc2ocnc21)c1ccc(Cl)cc1 ZINC001269441553 1028139091 /nfs/dbraw/zinc/13/90/91/1028139091.db2.gz MIDYWWBXEKDKDJ-INIZCTEOSA-N 1 2 329.787 3.723 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ncc[nH]1 ZINC000138912995 1028163400 /nfs/dbraw/zinc/16/34/00/1028163400.db2.gz YNZMBKCKWPZIIC-MRVPVSSYSA-N 1 2 346.175 3.624 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444705388 1028183472 /nfs/dbraw/zinc/18/34/72/1028183472.db2.gz AXRXDOHNTKWSJE-HXUWFJFHSA-N 1 2 344.405 3.664 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444705388 1028183481 /nfs/dbraw/zinc/18/34/81/1028183481.db2.gz AXRXDOHNTKWSJE-HXUWFJFHSA-N 1 2 344.405 3.664 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000503927856 1028219143 /nfs/dbraw/zinc/21/91/43/1028219143.db2.gz RDJMLQTZOWAAQT-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000503927856 1028219161 /nfs/dbraw/zinc/21/91/61/1028219161.db2.gz RDJMLQTZOWAAQT-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO [NH3+][C@H](C(=O)N1CC2(CCC2)c2c1cccc2F)c1c(F)cccc1F ZINC000423137110 1028224539 /nfs/dbraw/zinc/22/45/39/1028224539.db2.gz HRCHNOJDDBLMFE-KRWDZBQOSA-N 1 2 346.352 3.572 20 0 EHADLO Cc1oc2nc(C[N@H+](C)Cc3ccc(F)c(C)c3)nc(N)c2c1C ZINC000444744124 1028230077 /nfs/dbraw/zinc/23/00/77/1028230077.db2.gz LEXUTUUITPMYJB-UHFFFAOYSA-N 1 2 328.391 3.501 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)Cc3ccc(F)c(C)c3)nc(N)c2c1C ZINC000444744124 1028230095 /nfs/dbraw/zinc/23/00/95/1028230095.db2.gz LEXUTUUITPMYJB-UHFFFAOYSA-N 1 2 328.391 3.501 20 0 EHADLO CO[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000455483051 1028251241 /nfs/dbraw/zinc/25/12/41/1028251241.db2.gz IVDVAIHWAZRLHQ-INIZCTEOSA-N 1 2 331.391 3.655 20 0 EHADLO COc1ccc(OCCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455482939 1028252082 /nfs/dbraw/zinc/25/20/82/1028252082.db2.gz PRVQCEYLAPXHRW-UHFFFAOYSA-N 1 2 343.427 3.606 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)s1 ZINC000342936604 1028254213 /nfs/dbraw/zinc/25/42/13/1028254213.db2.gz DBYWRTXLBZHTEJ-OAHLLOKOSA-N 1 2 330.453 3.527 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)s1 ZINC000342936604 1028254230 /nfs/dbraw/zinc/25/42/30/1028254230.db2.gz DBYWRTXLBZHTEJ-OAHLLOKOSA-N 1 2 330.453 3.527 20 0 EHADLO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[C@@H]1c1ccccc1 ZINC000423232169 1028298435 /nfs/dbraw/zinc/29/84/35/1028298435.db2.gz HQWUCPBXMMLVFW-WTANOLMUSA-N 1 2 344.405 3.617 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)cc1OC ZINC000421335241 1028302293 /nfs/dbraw/zinc/30/22/93/1028302293.db2.gz RXMVWDKWMHEUCF-NSHDSACASA-N 1 2 337.851 3.640 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682831 1028312897 /nfs/dbraw/zinc/31/28/97/1028312897.db2.gz NISDXDUHHAYBHT-NVXWUHKLSA-N 1 2 326.843 3.777 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682831 1028312916 /nfs/dbraw/zinc/31/29/16/1028312916.db2.gz NISDXDUHHAYBHT-NVXWUHKLSA-N 1 2 326.843 3.777 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cn[nH]c3)co2)cc1F ZINC000639781888 1028338675 /nfs/dbraw/zinc/33/86/75/1028338675.db2.gz RAGOMHBUDWMZEV-INIZCTEOSA-N 1 2 330.338 3.680 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cn[nH]c3)co2)cc1F ZINC000639781888 1028338691 /nfs/dbraw/zinc/33/86/91/1028338691.db2.gz RAGOMHBUDWMZEV-INIZCTEOSA-N 1 2 330.338 3.680 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)nn1 ZINC000421399289 1028344997 /nfs/dbraw/zinc/34/49/97/1028344997.db2.gz HUTUPVIPFGDXRW-UHFFFAOYSA-N 1 2 342.365 3.608 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cscn1)CCO2 ZINC000067223612 1028360123 /nfs/dbraw/zinc/36/01/23/1028360123.db2.gz ITFWWEVNVOMBRC-LBPRGKRZSA-N 1 2 325.231 3.519 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000138459944 1028369270 /nfs/dbraw/zinc/36/92/70/1028369270.db2.gz DSGPYDDPXGFVDH-QGZVFWFLSA-N 1 2 337.423 3.712 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000138459944 1028369292 /nfs/dbraw/zinc/36/92/92/1028369292.db2.gz DSGPYDDPXGFVDH-QGZVFWFLSA-N 1 2 337.423 3.712 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)nn1C ZINC000421394576 1028369344 /nfs/dbraw/zinc/36/93/44/1028369344.db2.gz PHSAAAYZWPGQBS-UHFFFAOYSA-N 1 2 331.769 3.999 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000067556099 1028371110 /nfs/dbraw/zinc/37/11/10/1028371110.db2.gz AQGWNXMDKNSFMU-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)c1 ZINC000429589256 1028376702 /nfs/dbraw/zinc/37/67/02/1028376702.db2.gz IKHAXTCYTJBRFG-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)c1 ZINC000429589256 1028376718 /nfs/dbraw/zinc/37/67/18/1028376718.db2.gz IKHAXTCYTJBRFG-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000729678417 1028391998 /nfs/dbraw/zinc/39/19/98/1028391998.db2.gz UJDSXOYFAKJQLI-SFHVURJKSA-N 1 2 336.439 3.972 20 0 EHADLO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153624749 1028397145 /nfs/dbraw/zinc/39/71/45/1028397145.db2.gz FZUJUEUTWUXXMM-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1O ZINC000354398907 1028407519 /nfs/dbraw/zinc/40/75/19/1028407519.db2.gz KLJZWPPKLDXTEV-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO C[N@@H+]1CC[C@@H](NCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000729681848 1028415476 /nfs/dbraw/zinc/41/54/76/1028415476.db2.gz LDRSPKHACMOOPG-LLVKDONJSA-N 1 2 339.917 3.741 20 0 EHADLO C[N@H+]1CC[C@@H](NCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000729681848 1028415480 /nfs/dbraw/zinc/41/54/80/1028415480.db2.gz LDRSPKHACMOOPG-LLVKDONJSA-N 1 2 339.917 3.741 20 0 EHADLO C[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(F)F ZINC000421440715 1028422626 /nfs/dbraw/zinc/42/26/26/1028422626.db2.gz ZVCVKAHAKUURNJ-KRWDZBQOSA-N 1 2 331.366 3.870 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(Br)c(C)s1)C2 ZINC000897333771 1028429136 /nfs/dbraw/zinc/42/91/36/1028429136.db2.gz OEUXXOAOQZZFHR-UHFFFAOYSA-N 1 2 340.290 3.594 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000455553606 1028432136 /nfs/dbraw/zinc/43/21/36/1028432136.db2.gz CUHGSPORNSIMQY-MRXNPFEDSA-N 1 2 327.403 3.537 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@](F)(c3ccccc3C)C2)c[nH+]1 ZINC000455556180 1028451060 /nfs/dbraw/zinc/45/10/60/1028451060.db2.gz GGZQUNKQJXJBDT-FQEVSTJZSA-N 1 2 341.430 3.787 20 0 EHADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000015367392 1028453933 /nfs/dbraw/zinc/45/39/33/1028453933.db2.gz JHMZVJOHDOSBOC-UHFFFAOYSA-N 1 2 334.847 3.947 20 0 EHADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000015367392 1028453940 /nfs/dbraw/zinc/45/39/40/1028453940.db2.gz JHMZVJOHDOSBOC-UHFFFAOYSA-N 1 2 334.847 3.947 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000582992456 1028459402 /nfs/dbraw/zinc/45/94/02/1028459402.db2.gz FEACHKAPIXVUAE-UHFFFAOYSA-N 1 2 347.361 3.970 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000582992456 1028459411 /nfs/dbraw/zinc/45/94/11/1028459411.db2.gz FEACHKAPIXVUAE-UHFFFAOYSA-N 1 2 347.361 3.970 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421495953 1028476257 /nfs/dbraw/zinc/47/62/57/1028476257.db2.gz LADTURAMVXMOQZ-BFYDXBDKSA-N 1 2 333.435 3.977 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000367180492 1028491860 /nfs/dbraw/zinc/49/18/60/1028491860.db2.gz UJBRJPUCEMGGDQ-FQEVSTJZSA-N 1 2 335.382 3.583 20 0 EHADLO O=C(CCc1cccs1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000523665614 1028522567 /nfs/dbraw/zinc/52/25/67/1028522567.db2.gz KAOVQXOMUZPBGP-YWEYNIOJSA-N 1 2 340.492 3.538 20 0 EHADLO Fc1ccccc1CSCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194965712 1028563823 /nfs/dbraw/zinc/56/38/23/1028563823.db2.gz LAASSZRZKLJHNC-QGZVFWFLSA-N 1 2 342.443 3.556 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2F)cc(C)[nH+]1 ZINC000421574174 1028570794 /nfs/dbraw/zinc/57/07/94/1028570794.db2.gz DSTYOEBAPLEBNB-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO COc1ccc(S[C@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421576422 1028572428 /nfs/dbraw/zinc/57/24/28/1028572428.db2.gz MIGBSUMCDOUJOF-CQSZACIVSA-N 1 2 330.453 3.504 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc(C)[nH+]1 ZINC000421580989 1028574441 /nfs/dbraw/zinc/57/44/41/1028574441.db2.gz XKISCTKLBAAIEK-LBPRGKRZSA-N 1 2 336.794 3.575 20 0 EHADLO O[C@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1c(F)cccc1F ZINC000195069965 1028574406 /nfs/dbraw/zinc/57/44/06/1028574406.db2.gz AWYSHBRBZDASKF-NVXWUHKLSA-N 1 2 346.402 3.834 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1cccc(Cl)c1 ZINC000195074280 1028575548 /nfs/dbraw/zinc/57/55/48/1028575548.db2.gz UMUQYUPTHOEDNO-DLBZAZTESA-N 1 2 342.830 3.525 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195175446 1028586704 /nfs/dbraw/zinc/58/67/04/1028586704.db2.gz ZYQGVSIHUHJDFL-UHFFFAOYSA-N 1 2 330.391 3.979 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1(c2ccccc2)CCOCC1 ZINC000195177625 1028587454 /nfs/dbraw/zinc/58/74/54/1028587454.db2.gz RPSHXMOWENQHFL-UHFFFAOYSA-N 1 2 347.418 3.764 20 0 EHADLO [NH3+][C@H](C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1c(F)cccc1F ZINC000423785096 1028610942 /nfs/dbraw/zinc/61/09/42/1028610942.db2.gz SMPBNVRMGICUSJ-WRSAYESZSA-N 1 2 348.368 3.556 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423787202 1028611900 /nfs/dbraw/zinc/61/19/00/1028611900.db2.gz UUYBTPDGAUWTJC-MUKKUYKPSA-N 1 2 344.405 3.759 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000523791617 1028628571 /nfs/dbraw/zinc/62/85/71/1028628571.db2.gz IKQFYVHPQLZSBO-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc(F)c1 ZINC000237908786 1028671031 /nfs/dbraw/zinc/67/10/31/1028671031.db2.gz JPMFLHHOPRLXMI-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000509673442 1028718148 /nfs/dbraw/zinc/71/81/48/1028718148.db2.gz ONYREKIVNSWWAM-HRAATJIYSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000509673442 1028718167 /nfs/dbraw/zinc/71/81/67/1028718167.db2.gz ONYREKIVNSWWAM-HRAATJIYSA-N 1 2 339.435 3.730 20 0 EHADLO CC(=O)c1cccc(Br)c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001227971810 1028722677 /nfs/dbraw/zinc/72/26/77/1028722677.db2.gz VHFDEVXGAAIGJS-CYBMUJFWSA-N 1 2 340.261 3.903 20 0 EHADLO CC(=O)c1cccc(Br)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001227971810 1028722696 /nfs/dbraw/zinc/72/26/96/1028722696.db2.gz VHFDEVXGAAIGJS-CYBMUJFWSA-N 1 2 340.261 3.903 20 0 EHADLO CC(C)Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000367211362 1028756092 /nfs/dbraw/zinc/75/60/92/1028756092.db2.gz DCHSMJDFVPPHFH-LBPRGKRZSA-N 1 2 331.382 3.823 20 0 EHADLO CC(C)Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000367211362 1028756108 /nfs/dbraw/zinc/75/61/08/1028756108.db2.gz DCHSMJDFVPPHFH-LBPRGKRZSA-N 1 2 331.382 3.823 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398631 1028759764 /nfs/dbraw/zinc/75/97/64/1028759764.db2.gz WYFUEWXYPMHFJQ-UONOGXRCSA-N 1 2 329.444 3.849 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398631 1028759778 /nfs/dbraw/zinc/75/97/78/1028759778.db2.gz WYFUEWXYPMHFJQ-UONOGXRCSA-N 1 2 329.444 3.849 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)c1cc(C)n(C)c1C)CCC2 ZINC000532741554 1028782500 /nfs/dbraw/zinc/78/25/00/1028782500.db2.gz VRXYAUKYRKTYBK-INIZCTEOSA-N 1 2 345.512 3.853 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)c1cc(C)n(C)c1C)CCC2 ZINC000532741554 1028782517 /nfs/dbraw/zinc/78/25/17/1028782517.db2.gz VRXYAUKYRKTYBK-INIZCTEOSA-N 1 2 345.512 3.853 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1C ZINC000502889626 1028784176 /nfs/dbraw/zinc/78/41/76/1028784176.db2.gz RXNZHJWKBJPIHQ-WOSRLPQWSA-N 1 2 333.476 3.673 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000421795509 1028784828 /nfs/dbraw/zinc/78/48/28/1028784828.db2.gz ITAAWSTVJZXMPC-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000421795509 1028784841 /nfs/dbraw/zinc/78/48/41/1028784841.db2.gz ITAAWSTVJZXMPC-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245548171 1028812553 /nfs/dbraw/zinc/81/25/53/1028812553.db2.gz YGJIPEFWOJMLIG-XLIONFOSSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245548171 1028812567 /nfs/dbraw/zinc/81/25/67/1028812567.db2.gz YGJIPEFWOJMLIG-XLIONFOSSA-N 1 2 339.483 3.978 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nccn2CC(C)C)C2CC2)c(F)c1 ZINC000421833597 1028823853 /nfs/dbraw/zinc/82/38/53/1028823853.db2.gz NWNXZUQTXFBIFH-LJQANCHMSA-N 1 2 331.435 3.928 20 0 EHADLO Cc1cc(C)cc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445486171 1028849600 /nfs/dbraw/zinc/84/96/00/1028849600.db2.gz JEGMRYOUDMOSLJ-DEOSSOPVSA-N 1 2 338.476 3.997 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccncc1Cl ZINC000421864198 1028858216 /nfs/dbraw/zinc/85/82/16/1028858216.db2.gz ZGAQTIPTZUDATH-SNVBAGLBSA-N 1 2 345.752 3.922 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000343056708 1028858901 /nfs/dbraw/zinc/85/89/01/1028858901.db2.gz ZCQNUFYKDBUJBL-CQSZACIVSA-N 1 2 347.409 3.627 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cncn1C(C)C ZINC000424165358 1028864995 /nfs/dbraw/zinc/86/49/95/1028864995.db2.gz BDJIFPLSXLSCGX-UHFFFAOYSA-N 1 2 343.349 3.661 20 0 EHADLO CCCc1[nH]ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000421891392 1028898736 /nfs/dbraw/zinc/89/87/36/1028898736.db2.gz QDRAHBKQJKBNMQ-HNNXBMFYSA-N 1 2 340.471 3.520 20 0 EHADLO Cc1ccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000445557571 1028917679 /nfs/dbraw/zinc/91/76/79/1028917679.db2.gz LRIZIAGEKKJYLW-UHFFFAOYSA-N 1 2 340.448 3.522 20 0 EHADLO C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000421928119 1028925536 /nfs/dbraw/zinc/92/55/36/1028925536.db2.gz VODAZIWRFPTKSL-JXFKEZNVSA-N 1 2 341.430 3.593 20 0 EHADLO C[C@H]1CCC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454473999 1028943311 /nfs/dbraw/zinc/94/33/11/1028943311.db2.gz YHFAYNCBGNTQHO-SWLSCSKDSA-N 1 2 332.835 3.514 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000076342560 1028967584 /nfs/dbraw/zinc/96/75/84/1028967584.db2.gz LTGSFLPONQOLER-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000076342560 1028967594 /nfs/dbraw/zinc/96/75/94/1028967594.db2.gz LTGSFLPONQOLER-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)n1 ZINC000424305707 1028985683 /nfs/dbraw/zinc/98/56/83/1028985683.db2.gz FFBPEUFOWXGKAR-MRXNPFEDSA-N 1 2 327.428 3.612 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000154115320 1029011626 /nfs/dbraw/zinc/01/16/26/1029011626.db2.gz LQRMNRMBNWVYHM-IBGZPJMESA-N 1 2 331.410 3.629 20 0 EHADLO COCc1cccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475632224 1029029350 /nfs/dbraw/zinc/02/93/50/1029029350.db2.gz DVNGWGPJJHCQHS-INIZCTEOSA-N 1 2 340.250 3.963 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000076717897 1029037550 /nfs/dbraw/zinc/03/75/50/1029037550.db2.gz FVPQGTPUWUZFMX-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000076717897 1029037564 /nfs/dbraw/zinc/03/75/64/1029037564.db2.gz FVPQGTPUWUZFMX-XJKSGUPXSA-N 1 2 331.416 3.513 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000076727635 1029040184 /nfs/dbraw/zinc/04/01/84/1029040184.db2.gz URCPIQUDQHMNMC-SJCJKPOMSA-N 1 2 333.407 3.937 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925913 1029051301 /nfs/dbraw/zinc/05/13/01/1029051301.db2.gz CLPYOIQLDVWJJM-APWZRJJASA-N 1 2 338.451 3.866 20 0 EHADLO C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925913 1029051318 /nfs/dbraw/zinc/05/13/18/1029051318.db2.gz CLPYOIQLDVWJJM-APWZRJJASA-N 1 2 338.451 3.866 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)Cc1cnnn1C ZINC000123881476 1029060162 /nfs/dbraw/zinc/06/01/62/1029060162.db2.gz HZKKSOAKXZNIHE-AWEZNQCLSA-N 1 2 341.484 3.748 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC000123881476 1029060179 /nfs/dbraw/zinc/06/01/79/1029060179.db2.gz HZKKSOAKXZNIHE-AWEZNQCLSA-N 1 2 341.484 3.748 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000079701224 1029072709 /nfs/dbraw/zinc/07/27/09/1029072709.db2.gz MTJDHWQHRBLTCL-VHSXEESVSA-N 1 2 335.395 3.512 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(F)(F)F ZINC000079701224 1029072723 /nfs/dbraw/zinc/07/27/23/1029072723.db2.gz MTJDHWQHRBLTCL-VHSXEESVSA-N 1 2 335.395 3.512 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000445720493 1029081317 /nfs/dbraw/zinc/08/13/17/1029081317.db2.gz BWKDEBLDBXCXFK-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000154311628 1029106515 /nfs/dbraw/zinc/10/65/15/1029106515.db2.gz XZDCUEWHKHLAOJ-QUCCMNQESA-N 1 2 337.467 3.883 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000532969525 1029115869 /nfs/dbraw/zinc/11/58/69/1029115869.db2.gz XRAQOKZCMBNCOG-LLVKDONJSA-N 1 2 330.375 3.840 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000532969525 1029115871 /nfs/dbraw/zinc/11/58/71/1029115871.db2.gz XRAQOKZCMBNCOG-LLVKDONJSA-N 1 2 330.375 3.840 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cncn2Cc2ccccc2)o1 ZINC000445774770 1029135272 /nfs/dbraw/zinc/13/52/72/1029135272.db2.gz HUCXDXKXNGSZNK-IBGZPJMESA-N 1 2 339.439 3.564 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000524372785 1029136459 /nfs/dbraw/zinc/13/64/59/1029136459.db2.gz PCTCHWRJZXWLID-SFHVURJKSA-N 1 2 340.471 3.665 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000424570997 1029143318 /nfs/dbraw/zinc/14/33/18/1029143318.db2.gz TWNBPILQVITEPY-SFTDATJTSA-N 1 2 345.446 3.660 20 0 EHADLO CCc1noc(C)c1-c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000445806514 1029145624 /nfs/dbraw/zinc/14/56/24/1029145624.db2.gz WPVKYQYQEVEJKM-RMKNXTFCSA-N 1 2 347.378 3.952 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077789771 1029159323 /nfs/dbraw/zinc/15/93/23/1029159323.db2.gz IXTSMQYMKCBZOQ-RBUKOAKNSA-N 1 2 340.471 3.699 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnnn1C1CC1 ZINC000271763141 1029159339 /nfs/dbraw/zinc/15/93/39/1029159339.db2.gz GMLBWKSQFNXFHR-QGZVFWFLSA-N 1 2 343.475 3.674 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124237066 1029168016 /nfs/dbraw/zinc/16/80/16/1029168016.db2.gz ZDJOAHIOJMNIGI-BXWFABGCSA-N 1 2 343.446 3.701 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000445852786 1029171044 /nfs/dbraw/zinc/17/10/44/1029171044.db2.gz YFRGFXPRDSFJJE-UHFFFAOYSA-N 1 2 334.508 3.767 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000154482130 1029198146 /nfs/dbraw/zinc/19/81/46/1029198146.db2.gz PGLDWCKTTJNEMO-IBGZPJMESA-N 1 2 349.425 3.839 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3cccc(-n4cc[nH+]c4)c3)c[nH]c21 ZINC000078085887 1029198979 /nfs/dbraw/zinc/19/89/79/1029198979.db2.gz HRXLJLGQEONNNH-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(OC(C)C)CC3)nc(=O)c2c1C ZINC000533016836 1029199428 /nfs/dbraw/zinc/19/94/28/1029199428.db2.gz ONWLAFGWUYBWPE-GFCCVEGCSA-N 1 2 349.500 3.964 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C12CCC2 ZINC000271877926 1029212314 /nfs/dbraw/zinc/21/23/14/1029212314.db2.gz OOFYSIJKNCKFHF-RCCFBDPRSA-N 1 2 343.446 3.586 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2N2CCOCC2)nc1 ZINC000648552273 1029216270 /nfs/dbraw/zinc/21/62/70/1029216270.db2.gz NYPVNMFEMCBKBQ-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2c(Cl)cccc2N2CCOCC2)nc1 ZINC000648552273 1029216283 /nfs/dbraw/zinc/21/62/83/1029216283.db2.gz NYPVNMFEMCBKBQ-UHFFFAOYSA-N 1 2 345.874 3.512 20 0 EHADLO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000445904849 1029228536 /nfs/dbraw/zinc/22/85/36/1029228536.db2.gz UOBLHJCMQPUTGY-CYBMUJFWSA-N 1 2 327.350 3.727 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)c[nH+]1 ZINC000454728304 1029243629 /nfs/dbraw/zinc/24/36/29/1029243629.db2.gz FTANWKXVFXSUDT-UHFFFAOYSA-N 1 2 345.393 3.508 20 0 EHADLO C[C@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)C1 ZINC000245756706 1029250047 /nfs/dbraw/zinc/25/00/47/1029250047.db2.gz UXOZXSOGRNKNFD-VQFNDLOPSA-N 1 2 329.488 3.760 20 0 EHADLO CC1(C)CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000161606598 1029256440 /nfs/dbraw/zinc/25/64/40/1029256440.db2.gz UIURXYFCKLMQEK-INIZCTEOSA-N 1 2 329.488 3.905 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000114471408 1029264245 /nfs/dbraw/zinc/26/42/45/1029264245.db2.gz URHKLFBNBADOBQ-MRXNPFEDSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000114471408 1029264257 /nfs/dbraw/zinc/26/42/57/1029264257.db2.gz URHKLFBNBADOBQ-MRXNPFEDSA-N 1 2 345.468 3.533 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000583223308 1029312938 /nfs/dbraw/zinc/31/29/38/1029312938.db2.gz OIJBGQGHCJYODS-GOSISDBHSA-N 1 2 335.382 3.737 20 0 EHADLO CC(C)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000154797633 1029320598 /nfs/dbraw/zinc/32/05/98/1029320598.db2.gz CSOGVUWCFPIAAD-UHFFFAOYSA-N 1 2 332.492 3.836 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCOC[C@H]2C)on1 ZINC000272133686 1029323879 /nfs/dbraw/zinc/32/38/79/1029323879.db2.gz AVPILPGYUVKRKQ-CQSZACIVSA-N 1 2 338.407 3.724 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCOC[C@H]2C)on1 ZINC000272133686 1029323891 /nfs/dbraw/zinc/32/38/91/1029323891.db2.gz AVPILPGYUVKRKQ-CQSZACIVSA-N 1 2 338.407 3.724 20 0 EHADLO Cc1cccc2c(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)coc21 ZINC000424830508 1029371071 /nfs/dbraw/zinc/37/10/71/1029371071.db2.gz SQJLOBNMUPBUIU-GOSISDBHSA-N 1 2 338.382 3.667 20 0 EHADLO O=C(CCCc1ccc(Cl)cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000079942037 1029393998 /nfs/dbraw/zinc/39/39/98/1029393998.db2.gz RDCGCGZWDUYLLX-UHFFFAOYSA-N 1 2 345.874 3.554 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000455584265 1029400438 /nfs/dbraw/zinc/40/04/38/1029400438.db2.gz XIOYQDCNGIEPSK-INIZCTEOSA-N 1 2 326.444 3.643 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC=C(c4ccccc4)C3)[nH+]c12 ZINC000560390545 1029403127 /nfs/dbraw/zinc/40/31/27/1029403127.db2.gz RMRKLYUPNANOAA-UHFFFAOYSA-N 1 2 331.419 3.501 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000524698573 1029434657 /nfs/dbraw/zinc/43/46/57/1029434657.db2.gz PZIISOAOYGZWAG-UHFFFAOYSA-N 1 2 344.434 3.571 20 0 EHADLO Cc1ccc(CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)C)s1 ZINC000272421751 1029454387 /nfs/dbraw/zinc/45/43/87/1029454387.db2.gz MVXMUTWDVBJKTP-UHFFFAOYSA-N 1 2 340.452 3.688 20 0 EHADLO C[C@](O)(C[NH2+][C@H](CCc1ccccc1)C(F)F)c1ccsc1 ZINC000272459528 1029468712 /nfs/dbraw/zinc/46/87/12/1029468712.db2.gz GYNAWQNBKJIIQL-WBVHZDCISA-N 1 2 325.424 3.812 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000533250468 1029528956 /nfs/dbraw/zinc/52/89/56/1029528956.db2.gz LYFUZVGCPVXFMG-UHFFFAOYSA-N 1 2 347.459 3.620 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cnc(N)s1 ZINC000261904900 1029528867 /nfs/dbraw/zinc/52/88/67/1029528867.db2.gz WTOWDOHMMCHZEE-VIFPVBQESA-N 1 2 326.263 3.681 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cnc(N)s1 ZINC000261904900 1029528874 /nfs/dbraw/zinc/52/88/74/1029528874.db2.gz WTOWDOHMMCHZEE-VIFPVBQESA-N 1 2 326.263 3.681 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000533250468 1029528967 /nfs/dbraw/zinc/52/89/67/1029528967.db2.gz LYFUZVGCPVXFMG-UHFFFAOYSA-N 1 2 347.459 3.620 20 0 EHADLO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272670476 1029558275 /nfs/dbraw/zinc/55/82/75/1029558275.db2.gz SXWKAZJAVZSXCF-CYBMUJFWSA-N 1 2 346.406 3.748 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc21 ZINC000079103431 1029563253 /nfs/dbraw/zinc/56/32/53/1029563253.db2.gz IYYMZDIXKHJDGY-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1(C2CCC2)CCC1 ZINC000455011052 1029569074 /nfs/dbraw/zinc/56/90/74/1029569074.db2.gz OESSHDYWPTUYDJ-UHFFFAOYSA-N 1 2 327.403 3.598 20 0 EHADLO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571469692 1029590648 /nfs/dbraw/zinc/59/06/48/1029590648.db2.gz FQKSSQHQAOWJBL-CQSZACIVSA-N 1 2 349.438 3.549 20 0 EHADLO O=C(C[NH+]1CCN(c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000533346240 1029625873 /nfs/dbraw/zinc/62/58/73/1029625873.db2.gz NOGFPYYPTDGCAD-UHFFFAOYSA-N 1 2 344.524 3.656 20 0 EHADLO CCCn1c(C[N@H+](C)Cc2ccc(O)c(OC)c2)nc2ccccc21 ZINC000125961128 1029642032 /nfs/dbraw/zinc/64/20/32/1029642032.db2.gz ZGDUMHNIPRPSPT-UHFFFAOYSA-N 1 2 339.439 3.793 20 0 EHADLO CCCn1c(C[N@@H+](C)Cc2ccc(O)c(OC)c2)nc2ccccc21 ZINC000125961128 1029642035 /nfs/dbraw/zinc/64/20/35/1029642035.db2.gz ZGDUMHNIPRPSPT-UHFFFAOYSA-N 1 2 339.439 3.793 20 0 EHADLO CC(C)CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000155759883 1029646612 /nfs/dbraw/zinc/64/66/12/1029646612.db2.gz NNGKLEBAQSNYGT-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000583331127 1029663179 /nfs/dbraw/zinc/66/31/79/1029663179.db2.gz UPZGLKUTHOILMQ-SNRMKQJTSA-N 1 2 325.456 3.691 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000583331127 1029663183 /nfs/dbraw/zinc/66/31/83/1029663183.db2.gz UPZGLKUTHOILMQ-SNRMKQJTSA-N 1 2 325.456 3.691 20 0 EHADLO CN(C)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000126092580 1029663716 /nfs/dbraw/zinc/66/37/16/1029663716.db2.gz WQWFOTUDDRQVIA-MOPGFXCFSA-N 1 2 338.430 3.531 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000079601522 1029677111 /nfs/dbraw/zinc/67/71/11/1029677111.db2.gz GBRPWQRDVFHTJF-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427990338 1029685787 /nfs/dbraw/zinc/68/57/87/1029685787.db2.gz IGVLHQSJPKJBEO-SFHVURJKSA-N 1 2 339.483 3.635 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000114725105 1029714488 /nfs/dbraw/zinc/71/44/88/1029714488.db2.gz DIFGHNIGKHFJHV-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000114725105 1029714498 /nfs/dbraw/zinc/71/44/98/1029714498.db2.gz DIFGHNIGKHFJHV-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cc(Cl)nc(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)c1 ZINC000282058265 1029719460 /nfs/dbraw/zinc/71/94/60/1029719460.db2.gz PTEWIKBMBDQGCZ-UHFFFAOYSA-N 1 2 327.259 3.844 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000126607936 1029752866 /nfs/dbraw/zinc/75/28/66/1029752866.db2.gz QMYCVEOCINDWMA-GOSISDBHSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000126607936 1029752871 /nfs/dbraw/zinc/75/28/71/1029752871.db2.gz QMYCVEOCINDWMA-GOSISDBHSA-N 1 2 341.432 3.736 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446730190 1029766019 /nfs/dbraw/zinc/76/60/19/1029766019.db2.gz YQZHHFGGGVXXFJ-XOBRGWDASA-N 1 2 344.405 3.955 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446730190 1029766026 /nfs/dbraw/zinc/76/60/26/1029766026.db2.gz YQZHHFGGGVXXFJ-XOBRGWDASA-N 1 2 344.405 3.955 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nccn2Cc2ccccc2)c1 ZINC000536011171 1029769982 /nfs/dbraw/zinc/76/99/82/1029769982.db2.gz PGNOPDXRFDOOLG-UHFFFAOYSA-N 1 2 325.437 3.936 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)Cc2ccc(-n3cncn3)cc2)c1 ZINC000162572968 1029786971 /nfs/dbraw/zinc/78/69/71/1029786971.db2.gz ONRDJERLMBDXFF-UHFFFAOYSA-N 1 2 334.379 3.656 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525328278 1029795043 /nfs/dbraw/zinc/79/50/43/1029795043.db2.gz IZKTUEKIEQURFC-HOCLYGCPSA-N 1 2 334.891 3.878 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525328278 1029795049 /nfs/dbraw/zinc/79/50/49/1029795049.db2.gz IZKTUEKIEQURFC-HOCLYGCPSA-N 1 2 334.891 3.878 20 0 EHADLO FC(F)(F)[C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000287563230 1029825602 /nfs/dbraw/zinc/82/56/02/1029825602.db2.gz GGZFABBJJAMFEK-JSGCOSHPSA-N 1 2 329.366 3.594 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C ZINC000114804189 1029827724 /nfs/dbraw/zinc/82/77/24/1029827724.db2.gz BQCUZSIIOODJNK-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1cccc(CCCNc2nn3cc(C4CCCC4)nc3s2)[nH+]1 ZINC000343233061 1029843111 /nfs/dbraw/zinc/84/31/11/1029843111.db2.gz HMOUQEKIGUTVTC-UHFFFAOYSA-N 1 2 341.484 3.618 20 0 EHADLO Cc1cnc([C@H](C)[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000428458648 1029853747 /nfs/dbraw/zinc/85/37/47/1029853747.db2.gz CNIYABXGQFZAJN-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000428458648 1029853754 /nfs/dbraw/zinc/85/37/54/1029853754.db2.gz CNIYABXGQFZAJN-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000565035901 1029857545 /nfs/dbraw/zinc/85/75/45/1029857545.db2.gz QSEGLPAWIZBITO-QZTJIDSGSA-N 1 2 329.488 3.797 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@@](=O)C1 ZINC000446974754 1029869785 /nfs/dbraw/zinc/86/97/85/1029869785.db2.gz LNEYFAJTWMRFJF-IZHWHUGBSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[S@@](=O)C1 ZINC000446974754 1029869788 /nfs/dbraw/zinc/86/97/88/1029869788.db2.gz LNEYFAJTWMRFJF-IZHWHUGBSA-N 1 2 347.455 3.818 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533811126 1029870503 /nfs/dbraw/zinc/87/05/03/1029870503.db2.gz PQCGXKMMBKNDOF-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458547796 1029875651 /nfs/dbraw/zinc/87/56/51/1029875651.db2.gz AAOVMAQOZLORBX-GJYPPUQNSA-N 1 2 348.450 3.810 20 0 EHADLO CCn1c(C)cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000156562699 1029878547 /nfs/dbraw/zinc/87/85/47/1029878547.db2.gz UEHHRBLLNNQWCT-OAHLLOKOSA-N 1 2 345.512 3.705 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156603518 1029888335 /nfs/dbraw/zinc/88/83/35/1029888335.db2.gz MPMXOMVBBIQPTO-FAJBIJEISA-N 1 2 328.456 3.668 20 0 EHADLO FC(F)(F)[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1 ZINC000428464977 1029902903 /nfs/dbraw/zinc/90/29/03/1029902903.db2.gz AUNCDLUYEJOFPC-INIZCTEOSA-N 1 2 337.345 3.634 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccncn1 ZINC000453221621 1029933504 /nfs/dbraw/zinc/93/35/04/1029933504.db2.gz PTTJIUBJVYZSKL-YMTOWFKASA-N 1 2 345.752 3.533 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000455775531 1029948441 /nfs/dbraw/zinc/94/84/41/1029948441.db2.gz ZOUBBRHRWQPPCP-CRAIPNDOSA-N 1 2 342.443 3.785 20 0 EHADLO Cc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1F ZINC000367370900 1029980458 /nfs/dbraw/zinc/98/04/58/1029980458.db2.gz HOPOFZYJINMEBB-LJQANCHMSA-N 1 2 327.378 3.886 20 0 EHADLO CCCn1cc(C[N@H+](CCC)CC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000537627941 1029980736 /nfs/dbraw/zinc/98/07/36/1029980736.db2.gz SWJMIXCFTRMBLI-UHFFFAOYSA-N 1 2 348.878 3.797 20 0 EHADLO CCCn1cc(C[N@@H+](CCC)CC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000537627941 1029980749 /nfs/dbraw/zinc/98/07/49/1029980749.db2.gz SWJMIXCFTRMBLI-UHFFFAOYSA-N 1 2 348.878 3.797 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1scnc1C1CC1 ZINC000089768788 1029984830 /nfs/dbraw/zinc/98/48/30/1029984830.db2.gz ZJIPZGUQYWVJRP-UHFFFAOYSA-N 1 2 328.372 3.598 20 0 EHADLO Cc1cccc(COc2ccc(NC(=O)Cc3c[nH+]cn3C)c(C)c2)c1 ZINC000548797901 1030020040 /nfs/dbraw/zinc/02/00/40/1030020040.db2.gz LPMJCVNPKCNESC-UHFFFAOYSA-N 1 2 349.434 3.797 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cc(CO)on2)c(OCCC(C)C)c1 ZINC000925250316 1030022597 /nfs/dbraw/zinc/02/25/97/1030022597.db2.gz BVEZUXDYWSBCJE-OAHLLOKOSA-N 1 2 332.444 3.751 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)no1 ZINC000453283250 1030024956 /nfs/dbraw/zinc/02/49/56/1030024956.db2.gz MMRVCVBZAPXYAL-RISCZKNCSA-N 1 2 328.334 3.776 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)no1 ZINC000453283247 1030025107 /nfs/dbraw/zinc/02/51/07/1030025107.db2.gz MMRVCVBZAPXYAL-BXUZGUMPSA-N 1 2 328.334 3.776 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000600600826 1030031692 /nfs/dbraw/zinc/03/16/92/1030031692.db2.gz VJNMHIQVBGCDND-CQSZACIVSA-N 1 2 349.368 3.868 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCC4(CCCCC4)C3)[nH+]c12 ZINC000600605797 1030047481 /nfs/dbraw/zinc/04/74/81/1030047481.db2.gz XRLDUYRFIKQWMP-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCOC1CCOCC1 ZINC000600628593 1030077334 /nfs/dbraw/zinc/07/73/34/1030077334.db2.gz YPRSFZDGRAARJI-UHFFFAOYSA-N 1 2 332.469 3.610 20 0 EHADLO C[C@](CO)([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000600644087 1030101935 /nfs/dbraw/zinc/10/19/35/1030101935.db2.gz DWYRHAYISBGFII-LJQANCHMSA-N 1 2 342.439 3.947 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)n1 ZINC000453324136 1030104322 /nfs/dbraw/zinc/10/43/22/1030104322.db2.gz QDMFPJNSKIGQJX-MRXNPFEDSA-N 1 2 331.847 3.566 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000343286743 1030107794 /nfs/dbraw/zinc/10/77/94/1030107794.db2.gz MUDOWZWHXHUHPV-LJQANCHMSA-N 1 2 331.419 3.517 20 0 EHADLO CCC(CC)(CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000120943594 1030133901 /nfs/dbraw/zinc/13/39/01/1030133901.db2.gz DLIFOGFFPXLRHI-UHFFFAOYSA-N 1 2 342.487 3.673 20 0 EHADLO CSc1cccc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000156918927 1030134363 /nfs/dbraw/zinc/13/43/63/1030134363.db2.gz OWGWECDXZVVRPH-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000447372611 1030144875 /nfs/dbraw/zinc/14/48/75/1030144875.db2.gz INTUOIKXEFKHCW-QGZVFWFLSA-N 1 2 345.464 3.716 20 0 EHADLO COC(=O)c1sccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000447372611 1030144881 /nfs/dbraw/zinc/14/48/81/1030144881.db2.gz INTUOIKXEFKHCW-QGZVFWFLSA-N 1 2 345.464 3.716 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)N1CCCCC1 ZINC000447389670 1030159374 /nfs/dbraw/zinc/15/93/74/1030159374.db2.gz AABXNNGIQHWREB-UHFFFAOYSA-N 1 2 341.282 3.975 20 0 EHADLO CCc1ncc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)o1 ZINC000453389005 1030193727 /nfs/dbraw/zinc/19/37/27/1030193727.db2.gz PJZDTEJGWOYGLR-CYBMUJFWSA-N 1 2 339.208 3.916 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000052451012 1030207140 /nfs/dbraw/zinc/20/71/40/1030207140.db2.gz XGEQLFMZECFJCV-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000052451012 1030207153 /nfs/dbraw/zinc/20/71/53/1030207153.db2.gz XGEQLFMZECFJCV-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO CC(C)n1nccc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657772853 1030243575 /nfs/dbraw/zinc/24/35/75/1030243575.db2.gz JCCFFAHXHTXVQV-CQSZACIVSA-N 1 2 328.243 3.594 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121448538 1030272108 /nfs/dbraw/zinc/27/21/08/1030272108.db2.gz HEEIBMXTXGBHFL-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121448538 1030272128 /nfs/dbraw/zinc/27/21/28/1030272128.db2.gz HEEIBMXTXGBHFL-LBPRGKRZSA-N 1 2 341.282 3.999 20 0 EHADLO COc1ccccc1[C@H](CNc1cccc[nH+]1)NC(=O)OC(C)(C)C ZINC000052468562 1030291922 /nfs/dbraw/zinc/29/19/22/1030291922.db2.gz SMEUIWVGHKCMKJ-HNNXBMFYSA-N 1 2 343.427 3.768 20 0 EHADLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000121620875 1030307939 /nfs/dbraw/zinc/30/79/39/1030307939.db2.gz FBCCFRYLQOCHFB-HNNXBMFYSA-N 1 2 344.842 3.693 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCO[C@@H](C4CC4)C3)cn2)cc1 ZINC000668006172 1030335803 /nfs/dbraw/zinc/33/58/03/1030335803.db2.gz LQQFPYNRTQXWQH-GOSISDBHSA-N 1 2 328.387 3.624 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCO[C@@H](C4CC4)C3)cn2)cc1 ZINC000668006172 1030335817 /nfs/dbraw/zinc/33/58/17/1030335817.db2.gz LQQFPYNRTQXWQH-GOSISDBHSA-N 1 2 328.387 3.624 20 0 EHADLO COc1c(Cl)cccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129094532 1030361450 /nfs/dbraw/zinc/36/14/50/1030361450.db2.gz BQJYOEVSDAVJAF-IUODEOHRSA-N 1 2 348.834 3.660 20 0 EHADLO Oc1ccc(F)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1F ZINC000453573751 1030362437 /nfs/dbraw/zinc/36/24/37/1030362437.db2.gz HJUDOUZIZMNTRE-UHFFFAOYSA-N 1 2 345.389 3.734 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)c(Cl)c2)CCN1 ZINC000092075552 1030371697 /nfs/dbraw/zinc/37/16/97/1030371697.db2.gz CSLNGNHYDIRYHY-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)c(Cl)c2)CCN1 ZINC000092075552 1030371716 /nfs/dbraw/zinc/37/17/16/1030371716.db2.gz CSLNGNHYDIRYHY-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO CC[N@@H+](Cc1sc(C)cc1Br)C[C@H](O)C(F)(F)F ZINC000453588973 1030378359 /nfs/dbraw/zinc/37/83/59/1030378359.db2.gz DNIZNXCRNHWUSL-JTQLQIEISA-N 1 2 346.212 3.564 20 0 EHADLO CC[N@H+](Cc1sc(C)cc1Br)C[C@H](O)C(F)(F)F ZINC000453588973 1030378377 /nfs/dbraw/zinc/37/83/77/1030378377.db2.gz DNIZNXCRNHWUSL-JTQLQIEISA-N 1 2 346.212 3.564 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000509658556 1030381118 /nfs/dbraw/zinc/38/11/18/1030381118.db2.gz OVHGOSCSNZAUSH-HNNXBMFYSA-N 1 2 325.518 3.629 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000509658556 1030381137 /nfs/dbraw/zinc/38/11/37/1030381137.db2.gz OVHGOSCSNZAUSH-HNNXBMFYSA-N 1 2 325.518 3.629 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000158504327 1030388767 /nfs/dbraw/zinc/38/87/67/1030388767.db2.gz HOHZJDFOZFBMAQ-QGZVFWFLSA-N 1 2 329.444 3.500 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000158504327 1030388785 /nfs/dbraw/zinc/38/87/85/1030388785.db2.gz HOHZJDFOZFBMAQ-QGZVFWFLSA-N 1 2 329.444 3.500 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2cc(F)ccc2Cl)CC12CCCCC2 ZINC000526083182 1030409649 /nfs/dbraw/zinc/40/96/49/1030409649.db2.gz IBBOMINOMJMJOF-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2cc(F)ccc2Cl)CC12CCCCC2 ZINC000526083182 1030409655 /nfs/dbraw/zinc/40/96/55/1030409655.db2.gz IBBOMINOMJMJOF-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)o2)C[C@@]2(CCCOC2)O1 ZINC000482460617 1030443640 /nfs/dbraw/zinc/44/36/40/1030443640.db2.gz YIOAKHKQCUBTBK-OXJNMPFZSA-N 1 2 343.423 3.842 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)o2)C[C@@]2(CCCOC2)O1 ZINC000482460617 1030443649 /nfs/dbraw/zinc/44/36/49/1030443649.db2.gz YIOAKHKQCUBTBK-OXJNMPFZSA-N 1 2 343.423 3.842 20 0 EHADLO CCc1nc2sccc2c(N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000550837694 1030460785 /nfs/dbraw/zinc/46/07/85/1030460785.db2.gz ULHCVYUQQSFREO-UHFFFAOYSA-N 1 2 342.468 3.911 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)Cc1cnccn1 ZINC000092591529 1030489725 /nfs/dbraw/zinc/48/97/25/1030489725.db2.gz YHDUKEZXMNZPHY-HNNXBMFYSA-N 1 2 330.451 3.730 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1cnccn1 ZINC000092591529 1030489737 /nfs/dbraw/zinc/48/97/37/1030489737.db2.gz YHDUKEZXMNZPHY-HNNXBMFYSA-N 1 2 330.451 3.730 20 0 EHADLO CCOc1c(Br)cc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1OC ZINC000526989540 1030549702 /nfs/dbraw/zinc/54/97/02/1030549702.db2.gz OPLJIRWZMUNFPA-QWRGUYRKSA-N 1 2 328.250 3.839 20 0 EHADLO C[C@H]1CC[C@@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000526989850 1030550197 /nfs/dbraw/zinc/55/01/97/1030550197.db2.gz ZAAVCXHGUXRPPH-JKSUJKDBSA-N 1 2 344.503 3.545 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)oc1C ZINC000093055810 1030553686 /nfs/dbraw/zinc/55/36/86/1030553686.db2.gz SCGVATCEECAPNV-UHFFFAOYSA-N 1 2 347.890 3.879 20 0 EHADLO Cc1cc(NCc2nc(-c3ccc(Cl)cc3)no2)nc(C(C)C)[nH+]1 ZINC000532364182 1030570184 /nfs/dbraw/zinc/57/01/84/1030570184.db2.gz VIXRXFSICWIMBU-UHFFFAOYSA-N 1 2 343.818 3.646 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc21 ZINC000343379870 1030581605 /nfs/dbraw/zinc/58/16/05/1030581605.db2.gz WXOBSUXSKQXWJG-UHFFFAOYSA-N 1 2 349.369 3.508 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(C)n1C(C)C ZINC000343378056 1030588247 /nfs/dbraw/zinc/58/82/47/1030588247.db2.gz UBRMYQCBXNYJMK-UHFFFAOYSA-N 1 2 337.427 3.578 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2nc3ccccc3n2C)ccc1OC ZINC000093363963 1030592340 /nfs/dbraw/zinc/59/23/40/1030592340.db2.gz QOPKTYGXNSGPFN-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)ccc1OC ZINC000093363963 1030592351 /nfs/dbraw/zinc/59/23/51/1030592351.db2.gz QOPKTYGXNSGPFN-UHFFFAOYSA-N 1 2 339.439 3.613 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000122320350 1030596669 /nfs/dbraw/zinc/59/66/69/1030596669.db2.gz WGICQJKSVNAAJB-MRXNPFEDSA-N 1 2 346.450 3.813 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(F)c(F)c3F)CC2)c1 ZINC000668094726 1030603323 /nfs/dbraw/zinc/60/33/23/1030603323.db2.gz RYSNMXWKBAQISG-UHFFFAOYSA-N 1 2 349.396 3.982 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H](C)CS(C)(=O)=O ZINC000093391206 1030604997 /nfs/dbraw/zinc/60/49/97/1030604997.db2.gz VBJWSATWFMORHO-HNNXBMFYSA-N 1 2 335.469 3.510 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H](C)CS(C)(=O)=O ZINC000093391206 1030605011 /nfs/dbraw/zinc/60/50/11/1030605011.db2.gz VBJWSATWFMORHO-HNNXBMFYSA-N 1 2 335.469 3.510 20 0 EHADLO COC(=O)c1coc([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000278397501 1030606730 /nfs/dbraw/zinc/60/67/30/1030606730.db2.gz FFWLWGPIXLTCGX-CYBMUJFWSA-N 1 2 329.400 3.625 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C3CC3)o2)cc1 ZINC000093392907 1030606702 /nfs/dbraw/zinc/60/67/02/1030606702.db2.gz HNJWKPFSDOOHDU-HNNXBMFYSA-N 1 2 347.480 3.653 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C3CC3)o2)cc1 ZINC000093392907 1030606710 /nfs/dbraw/zinc/60/67/10/1030606710.db2.gz HNJWKPFSDOOHDU-HNNXBMFYSA-N 1 2 347.480 3.653 20 0 EHADLO CC1(C)Cc2cccc(C[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)c2O1 ZINC000093457731 1030614451 /nfs/dbraw/zinc/61/44/51/1030614451.db2.gz PUFHGJYXDUXJSM-IBGZPJMESA-N 1 2 339.435 3.679 20 0 EHADLO CC1(C)Cc2cccc(C[N@H+]3CCO[C@H](c4cccc(O)c4)C3)c2O1 ZINC000093457731 1030614466 /nfs/dbraw/zinc/61/44/66/1030614466.db2.gz PUFHGJYXDUXJSM-IBGZPJMESA-N 1 2 339.435 3.679 20 0 EHADLO C[C@H](C[N@@H+]1CCC[C@@H]1c1nncn1C)c1cccc(Br)c1 ZINC000093810379 1030680224 /nfs/dbraw/zinc/68/02/24/1030680224.db2.gz MLVYPCFBMXDESJ-IUODEOHRSA-N 1 2 349.276 3.518 20 0 EHADLO C[C@H](C[N@H+]1CCC[C@@H]1c1nncn1C)c1cccc(Br)c1 ZINC000093810379 1030680233 /nfs/dbraw/zinc/68/02/33/1030680233.db2.gz MLVYPCFBMXDESJ-IUODEOHRSA-N 1 2 349.276 3.518 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841384 1030681790 /nfs/dbraw/zinc/68/17/90/1030681790.db2.gz KYXZUPZWIPYTGV-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841384 1030681794 /nfs/dbraw/zinc/68/17/94/1030681794.db2.gz KYXZUPZWIPYTGV-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(O)cc3)c2C1 ZINC000170564782 1030690775 /nfs/dbraw/zinc/69/07/75/1030690775.db2.gz VPOXBMSHGKUTMM-UHFFFAOYSA-N 1 2 347.418 3.571 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(O)cc3)c2C1 ZINC000170564782 1030690777 /nfs/dbraw/zinc/69/07/77/1030690777.db2.gz VPOXBMSHGKUTMM-UHFFFAOYSA-N 1 2 347.418 3.571 20 0 EHADLO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCC2CC2)cc1 ZINC000122846923 1030742158 /nfs/dbraw/zinc/74/21/58/1030742158.db2.gz OOKHVYQHBWHSOK-UHFFFAOYSA-N 1 2 346.475 3.894 20 0 EHADLO CC1(C)Cc2cccc(C[NH2+][C@@H](CO)c3ccc(F)cc3F)c2O1 ZINC000657792994 1030743270 /nfs/dbraw/zinc/74/32/70/1030743270.db2.gz PSTZHQXWHZOTPI-KRWDZBQOSA-N 1 2 333.378 3.502 20 0 EHADLO CCC(CC)c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)on1 ZINC000583791858 1030765862 /nfs/dbraw/zinc/76/58/62/1030765862.db2.gz XHOZOZLBVWESIL-XJKSGUPXSA-N 1 2 346.431 3.554 20 0 EHADLO CCC(CC)c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)on1 ZINC000583791858 1030765880 /nfs/dbraw/zinc/76/58/80/1030765880.db2.gz XHOZOZLBVWESIL-XJKSGUPXSA-N 1 2 346.431 3.554 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1cc(CO)on1 ZINC000924782078 1030805221 /nfs/dbraw/zinc/80/52/21/1030805221.db2.gz JSELGBNEZQGXHQ-QWRGUYRKSA-N 1 2 344.333 3.520 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000115161155 1030824112 /nfs/dbraw/zinc/82/41/12/1030824112.db2.gz AFJWBGBBHKBREZ-UHFFFAOYSA-N 1 2 345.446 3.832 20 0 EHADLO CNC(=O)c1cccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000172147672 1030839307 /nfs/dbraw/zinc/83/93/07/1030839307.db2.gz LUWAFEHOHKCPKN-CYBMUJFWSA-N 1 2 339.464 3.849 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000172147672 1030839327 /nfs/dbraw/zinc/83/93/27/1030839327.db2.gz LUWAFEHOHKCPKN-CYBMUJFWSA-N 1 2 339.464 3.849 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C2CC2)C1 ZINC000583821469 1030848388 /nfs/dbraw/zinc/84/83/88/1030848388.db2.gz KVVZSOVGOCEJQY-LYGPFTKASA-N 1 2 337.467 3.834 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C2CC2)C1 ZINC000583821469 1030848410 /nfs/dbraw/zinc/84/84/10/1030848410.db2.gz KVVZSOVGOCEJQY-LYGPFTKASA-N 1 2 337.467 3.834 20 0 EHADLO O=C(C[N@@H+]1CCc2ccccc2C1)N(Cc1ccco1)c1ccccc1 ZINC000096990300 1030877680 /nfs/dbraw/zinc/87/76/80/1030877680.db2.gz VEIADOLVHMGZFL-UHFFFAOYSA-N 1 2 346.430 3.871 20 0 EHADLO O=C(C[N@H+]1CCc2ccccc2C1)N(Cc1ccco1)c1ccccc1 ZINC000096990300 1030877700 /nfs/dbraw/zinc/87/77/00/1030877700.db2.gz VEIADOLVHMGZFL-UHFFFAOYSA-N 1 2 346.430 3.871 20 0 EHADLO COc1cc(Cl)c(C[NH+]2CCC3(CCOC3=O)CC2)c(Cl)c1 ZINC001142296862 1030887300 /nfs/dbraw/zinc/88/73/00/1030887300.db2.gz LNHXGEMIJQAISJ-UHFFFAOYSA-N 1 2 344.238 3.531 20 0 EHADLO COCCNc1ccc(C[NH2+][C@H](Cc2ccccc2)C(F)F)cc1 ZINC000537656519 1030893970 /nfs/dbraw/zinc/89/39/70/1030893970.db2.gz HYLNAVANUDNWQE-GOSISDBHSA-N 1 2 334.410 3.711 20 0 EHADLO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1F ZINC000097220626 1030906786 /nfs/dbraw/zinc/90/67/86/1030906786.db2.gz PPDAHSNDHQIKOA-UHFFFAOYSA-N 1 2 349.369 3.575 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(-n2cccc2)s1 ZINC000668191227 1030909586 /nfs/dbraw/zinc/90/95/86/1030909586.db2.gz ACBORVOMKMFMNW-HNNXBMFYSA-N 1 2 340.452 3.521 20 0 EHADLO Cc1nnsc1C[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639902974 1030910636 /nfs/dbraw/zinc/91/06/36/1030910636.db2.gz LWOXQXNBHPMMHX-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO Cc1nnsc1C[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639902974 1030910658 /nfs/dbraw/zinc/91/06/58/1030910658.db2.gz LWOXQXNBHPMMHX-SFHVURJKSA-N 1 2 339.464 3.582 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000537661606 1030916088 /nfs/dbraw/zinc/91/60/88/1030916088.db2.gz SORCNEASWRILPX-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000537661606 1030916102 /nfs/dbraw/zinc/91/61/02/1030916102.db2.gz SORCNEASWRILPX-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CSc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000097428009 1030928176 /nfs/dbraw/zinc/92/81/76/1030928176.db2.gz XAYXMWZMCNESMK-UHFFFAOYSA-N 1 2 341.480 3.724 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)[C@H]1c1ccccc1 ZINC000483055435 1030932784 /nfs/dbraw/zinc/93/27/84/1030932784.db2.gz HSYOIIANHNXMPZ-MGPUTAFESA-N 1 2 338.476 3.818 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)[C@H]1c1ccccc1 ZINC000483055435 1030932797 /nfs/dbraw/zinc/93/27/97/1030932797.db2.gz HSYOIIANHNXMPZ-MGPUTAFESA-N 1 2 338.476 3.818 20 0 EHADLO Fc1ccc(CCNc2cc(N3CCCCC3)nc[nH+]2)c(F)c1F ZINC000343451038 1030933358 /nfs/dbraw/zinc/93/33/58/1030933358.db2.gz FKFBIPSRVBZMMD-UHFFFAOYSA-N 1 2 336.361 3.539 20 0 EHADLO Fc1ccc(CCNc2cc(N3CCCCC3)[nH+]cn2)c(F)c1F ZINC000343451038 1030933372 /nfs/dbraw/zinc/93/33/72/1030933372.db2.gz FKFBIPSRVBZMMD-UHFFFAOYSA-N 1 2 336.361 3.539 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ncc(F)cc3F)c2)[nH+]c1C ZINC000760145052 1030937922 /nfs/dbraw/zinc/93/79/22/1030937922.db2.gz IDYUNDQBKCMHFU-UHFFFAOYSA-N 1 2 328.322 3.619 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)Cc2c(C)c(C)c(C)c(C)c2C)n1 ZINC000483201617 1031029120 /nfs/dbraw/zinc/02/91/20/1031029120.db2.gz XDVIOOVITGZXLE-MRXNPFEDSA-N 1 2 331.460 3.951 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2c(C)c(C)c(C)c(C)c2C)n1 ZINC000483201617 1031029132 /nfs/dbraw/zinc/02/91/32/1031029132.db2.gz XDVIOOVITGZXLE-MRXNPFEDSA-N 1 2 331.460 3.951 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000173145545 1031053219 /nfs/dbraw/zinc/05/32/19/1031053219.db2.gz UTFKPTWOGOSJDT-SIKLNZKXSA-N 1 2 349.478 3.684 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1SC(F)(F)F ZINC000924623591 1031053611 /nfs/dbraw/zinc/05/36/11/1031053611.db2.gz IJDUMAVCSRJILG-JTQLQIEISA-N 1 2 342.390 3.687 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000666962346 1031056717 /nfs/dbraw/zinc/05/67/17/1031056717.db2.gz DIMHIJHQIGMBQM-DAXOMENPSA-N 1 2 343.858 3.929 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3CC(F)(F)F)[nH+]c12 ZINC000525673716 1031057680 /nfs/dbraw/zinc/05/76/80/1031057680.db2.gz UKKBAOLWQOFEPC-UHFFFAOYSA-N 1 2 347.340 3.929 20 0 EHADLO CC(C)c1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000476880891 1031061092 /nfs/dbraw/zinc/06/10/92/1031061092.db2.gz IELGXIYCDVGKAR-UHFFFAOYSA-N 1 2 348.450 3.995 20 0 EHADLO c1nnc([C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c2cccnc2)[nH]1 ZINC000551175844 1031077118 /nfs/dbraw/zinc/07/71/18/1031077118.db2.gz ONKXGPGBHHSCQY-NEWSRXKRSA-N 1 2 333.439 3.605 20 0 EHADLO CCc1cc(C[NH2+]Cc2ccc(Br)c(F)c2F)on1 ZINC000527665941 1031092782 /nfs/dbraw/zinc/09/27/82/1031092782.db2.gz RXIDJFBPPRFSIS-UHFFFAOYSA-N 1 2 331.160 3.568 20 0 EHADLO C[C@@H](NC(=O)N1CCCC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458813 1031093209 /nfs/dbraw/zinc/09/32/09/1031093209.db2.gz VVASTVFZLKXVMO-OAHLLOKOSA-N 1 2 326.444 3.765 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000760537086 1031105891 /nfs/dbraw/zinc/10/58/91/1031105891.db2.gz BBOJYOFLLLLDDP-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000760537086 1031105902 /nfs/dbraw/zinc/10/59/02/1031105902.db2.gz BBOJYOFLLLLDDP-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)n1 ZINC000483338613 1031114680 /nfs/dbraw/zinc/11/46/80/1031114680.db2.gz IODSNWXKJCHJQA-QWHCGFSZSA-N 1 2 330.432 3.569 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000668243971 1031148740 /nfs/dbraw/zinc/14/87/40/1031148740.db2.gz NHLXBHQLADSCRP-SECBINFHSA-N 1 2 329.288 3.603 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000668243971 1031148747 /nfs/dbraw/zinc/14/87/47/1031148747.db2.gz NHLXBHQLADSCRP-SECBINFHSA-N 1 2 329.288 3.603 20 0 EHADLO Cn1cc(-c2nc(C[NH2+]Cc3ccc(C4CC4)cc3F)cs2)cn1 ZINC000527708985 1031150855 /nfs/dbraw/zinc/15/08/55/1031150855.db2.gz DCAKLWXLXQHAQZ-UHFFFAOYSA-N 1 2 342.443 3.850 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ncc(-c2ccccc2)o1 ZINC000173900485 1031154320 /nfs/dbraw/zinc/15/43/20/1031154320.db2.gz CRGXZRDPUGVXJC-HNNXBMFYSA-N 1 2 349.434 3.894 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)CCO2)cc1 ZINC000483434536 1031168504 /nfs/dbraw/zinc/16/85/04/1031168504.db2.gz WQZGDHHQJNWQFZ-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)CCO2)cc1 ZINC000483434536 1031168510 /nfs/dbraw/zinc/16/85/10/1031168510.db2.gz WQZGDHHQJNWQFZ-NRFANRHFSA-N 1 2 341.451 3.840 20 0 EHADLO C(c1noc(C2CCOCC2)n1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000174173007 1031174448 /nfs/dbraw/zinc/17/44/48/1031174448.db2.gz PSDVLQPJXODKHP-UHFFFAOYSA-N 1 2 333.476 3.900 20 0 EHADLO C(c1noc(C2CCOCC2)n1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000174173007 1031174454 /nfs/dbraw/zinc/17/44/54/1031174454.db2.gz PSDVLQPJXODKHP-UHFFFAOYSA-N 1 2 333.476 3.900 20 0 EHADLO CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C12CCC2 ZINC000666975791 1031176707 /nfs/dbraw/zinc/17/67/07/1031176707.db2.gz YOZZGVBINOJATH-GJZGRUSLSA-N 1 2 342.443 3.582 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc(C(F)(F)F)c1 ZINC000527722204 1031182457 /nfs/dbraw/zinc/18/24/57/1031182457.db2.gz RKQBHJOHCZTGOB-UHFFFAOYSA-N 1 2 343.374 3.733 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)ccn1 ZINC000551278660 1031188539 /nfs/dbraw/zinc/18/85/39/1031188539.db2.gz TYTGSXNHYMXVMI-HZMBPMFUSA-N 1 2 341.238 3.781 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)cn1 ZINC000343514409 1031194130 /nfs/dbraw/zinc/19/41/30/1031194130.db2.gz WSXZZHRCLUIDMX-ABAIWWIYSA-N 1 2 325.815 3.641 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000483527397 1031199860 /nfs/dbraw/zinc/19/98/60/1031199860.db2.gz KHVWGYVMQDKZTB-IBGZPJMESA-N 1 2 347.455 4.000 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000483527397 1031199865 /nfs/dbraw/zinc/19/98/65/1031199865.db2.gz KHVWGYVMQDKZTB-IBGZPJMESA-N 1 2 347.455 4.000 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]4CCC[C@H]43)cn2c1 ZINC000174367404 1031203672 /nfs/dbraw/zinc/20/36/72/1031203672.db2.gz SVNRCGVPXOTXHK-DOTOQJQBSA-N 1 2 343.496 3.667 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000583949069 1031207101 /nfs/dbraw/zinc/20/71/01/1031207101.db2.gz KRNSKHGYHUUHRJ-IEZWGBDMSA-N 1 2 336.414 3.877 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477043873 1031213141 /nfs/dbraw/zinc/21/31/41/1031213141.db2.gz ATENOFKQKDJVDQ-HNNXBMFYSA-N 1 2 326.440 3.610 20 0 EHADLO CCCCNC(=O)[C@H](C)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477043873 1031213162 /nfs/dbraw/zinc/21/31/62/1031213162.db2.gz ATENOFKQKDJVDQ-HNNXBMFYSA-N 1 2 326.440 3.610 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000533926977 1031233225 /nfs/dbraw/zinc/23/32/25/1031233225.db2.gz VIVRIUKSKCXEPB-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000533926977 1031233241 /nfs/dbraw/zinc/23/32/41/1031233241.db2.gz VIVRIUKSKCXEPB-AWEZNQCLSA-N 1 2 328.456 3.894 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000483596009 1031234347 /nfs/dbraw/zinc/23/43/47/1031234347.db2.gz WMAKJABVYZNQCH-LJQANCHMSA-N 1 2 340.471 3.889 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000174664146 1031241380 /nfs/dbraw/zinc/24/13/80/1031241380.db2.gz NALACWCEVYFTTR-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C)CCC3)c2C1 ZINC000175078055 1031274922 /nfs/dbraw/zinc/27/49/22/1031274922.db2.gz HXBMUIMGKIWRTG-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C)CCC3)c2C1 ZINC000175078055 1031274930 /nfs/dbraw/zinc/27/49/30/1031274930.db2.gz HXBMUIMGKIWRTG-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000525678663 1031286802 /nfs/dbraw/zinc/28/68/02/1031286802.db2.gz DNSGKWSROKRQFC-FQEVSTJZSA-N 1 2 345.446 3.683 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000343534114 1031293548 /nfs/dbraw/zinc/29/35/48/1031293548.db2.gz QJNWWZDLCRCEDO-UHFFFAOYSA-N 1 2 329.444 3.534 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000343534114 1031293566 /nfs/dbraw/zinc/29/35/66/1031293566.db2.gz QJNWWZDLCRCEDO-UHFFFAOYSA-N 1 2 329.444 3.534 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000175394558 1031301210 /nfs/dbraw/zinc/30/12/10/1031301210.db2.gz NYDGRBGITADPHK-ZAMGYDSWSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000175394558 1031301224 /nfs/dbraw/zinc/30/12/24/1031301224.db2.gz NYDGRBGITADPHK-ZAMGYDSWSA-N 1 2 328.437 3.758 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)c1C ZINC000042669684 1031315138 /nfs/dbraw/zinc/31/51/38/1031315138.db2.gz ATLIBFVCEVQVFI-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)c1C ZINC000042669684 1031315151 /nfs/dbraw/zinc/31/51/51/1031315151.db2.gz ATLIBFVCEVQVFI-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000343541980 1031319951 /nfs/dbraw/zinc/31/99/51/1031319951.db2.gz WCXKTRYMAIJOAK-UHFFFAOYSA-N 1 2 347.528 3.681 20 0 EHADLO COCC[N@H+](CCCc1ccccc1)Cc1nc(C2CCCC2)no1 ZINC000151292035 1031323297 /nfs/dbraw/zinc/32/32/97/1031323297.db2.gz ALRDXVWEMUVEBH-UHFFFAOYSA-N 1 2 343.471 3.808 20 0 EHADLO COCC[N@@H+](CCCc1ccccc1)Cc1nc(C2CCCC2)no1 ZINC000151292035 1031323307 /nfs/dbraw/zinc/32/33/07/1031323307.db2.gz ALRDXVWEMUVEBH-UHFFFAOYSA-N 1 2 343.471 3.808 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)on1 ZINC000527857650 1031332286 /nfs/dbraw/zinc/33/22/86/1031332286.db2.gz DFQPOMKVTOHYCF-QMMMGPOBSA-N 1 2 331.160 3.875 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1=CCCCC1 ZINC000477199853 1031335800 /nfs/dbraw/zinc/33/58/00/1031335800.db2.gz WGCWJCWWYWMQBH-UHFFFAOYSA-N 1 2 330.476 3.825 20 0 EHADLO O=C(NC1CCCCC1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527864101 1031344280 /nfs/dbraw/zinc/34/42/80/1031344280.db2.gz JQDHHEPUDGLVCA-UHFFFAOYSA-N 1 2 337.467 3.900 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc(C)c1Br ZINC000584004000 1031383091 /nfs/dbraw/zinc/38/30/91/1031383091.db2.gz WEUPBSZUQZRZRV-NSHDSACASA-N 1 2 336.233 3.606 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc(C)c1Br ZINC000584004000 1031383105 /nfs/dbraw/zinc/38/31/05/1031383105.db2.gz WEUPBSZUQZRZRV-NSHDSACASA-N 1 2 336.233 3.606 20 0 EHADLO CCS[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176724269 1031451314 /nfs/dbraw/zinc/45/13/14/1031451314.db2.gz ZDCOTJQLHSCBBY-RDJZCZTQSA-N 1 2 329.469 3.666 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H](c3cccs3)c3nnc[nH]3)[C@H]21 ZINC000527941620 1031467133 /nfs/dbraw/zinc/46/71/33/1031467133.db2.gz GZZNPXVCNZKVBU-UKMLZYKCSA-N 1 2 342.855 3.537 20 0 EHADLO Cc1ccccc1-c1nsc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000527928454 1031492278 /nfs/dbraw/zinc/49/22/78/1031492278.db2.gz OYDHDSHDVVXIOX-GOEBONIOSA-N 1 2 339.468 3.798 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000176881275 1031499377 /nfs/dbraw/zinc/49/93/77/1031499377.db2.gz WIYHNIKMLNFNEO-HNNXBMFYSA-N 1 2 344.484 3.563 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000176881275 1031499385 /nfs/dbraw/zinc/49/93/85/1031499385.db2.gz WIYHNIKMLNFNEO-HNNXBMFYSA-N 1 2 344.484 3.563 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2C1 ZINC000347423987 1031511984 /nfs/dbraw/zinc/51/19/84/1031511984.db2.gz GPRUQUYISQTIGL-UONOGXRCSA-N 1 2 343.496 3.626 20 0 EHADLO CCn1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000177520426 1031551805 /nfs/dbraw/zinc/55/18/05/1031551805.db2.gz VVBUSVZBPDGWKI-HNAYVOBHSA-N 1 2 336.439 3.581 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737228 1031564020 /nfs/dbraw/zinc/56/40/20/1031564020.db2.gz UOOWKAPASXRYHA-HUUCEWRRSA-N 1 2 339.505 3.517 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(C)C ZINC000177737228 1031564031 /nfs/dbraw/zinc/56/40/31/1031564031.db2.gz UOOWKAPASXRYHA-HUUCEWRRSA-N 1 2 339.505 3.517 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666092435 1031590158 /nfs/dbraw/zinc/59/01/58/1031590158.db2.gz IMYMBDNKTZDMBH-CHWSQXEVSA-N 1 2 349.837 3.755 20 0 EHADLO COc1ccc(C[C@@H]2CCCN(c3nc(N)c4ccccc4[nH+]3)C2)cc1 ZINC000551715764 1031598066 /nfs/dbraw/zinc/59/80/66/1031598066.db2.gz KPIKMDKTUVPNMQ-INIZCTEOSA-N 1 2 348.450 3.510 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(CC(F)(F)F)c1 ZINC000178215611 1031643965 /nfs/dbraw/zinc/64/39/65/1031643965.db2.gz ATBYCOWXHUHQNB-UHFFFAOYSA-N 1 2 348.328 3.761 20 0 EHADLO CSCC[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000178513303 1031674889 /nfs/dbraw/zinc/67/48/89/1031674889.db2.gz NDMZIMLDLTYEFM-UHFFFAOYSA-N 1 2 326.462 3.656 20 0 EHADLO CSCC[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000178513303 1031674911 /nfs/dbraw/zinc/67/49/11/1031674911.db2.gz NDMZIMLDLTYEFM-UHFFFAOYSA-N 1 2 326.462 3.656 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000178359660 1031686781 /nfs/dbraw/zinc/68/67/81/1031686781.db2.gz FVGVCRCRCRGLJC-OLZOCXBDSA-N 1 2 343.789 3.547 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1OC ZINC000278624080 1031708630 /nfs/dbraw/zinc/70/86/30/1031708630.db2.gz JYKZOVLCDMLACQ-UHFFFAOYSA-N 1 2 346.374 3.859 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1F ZINC000278624005 1031709306 /nfs/dbraw/zinc/70/93/06/1031709306.db2.gz JXBAPMVJZFGOGX-UHFFFAOYSA-N 1 2 334.338 3.990 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccccc3F)n2)cc1 ZINC000178710288 1031716696 /nfs/dbraw/zinc/71/66/96/1031716696.db2.gz ZAOKDIXNKVQMOL-AWEZNQCLSA-N 1 2 325.387 3.871 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2cccnc12 ZINC000117592526 1031759359 /nfs/dbraw/zinc/75/93/59/1031759359.db2.gz ICTQRIFUGRSQQZ-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CCO[C@H](c1noc(Cc2cn3cc(F)ccc3[nH+]2)n1)C1CCCC1 ZINC000904139943 1031767845 /nfs/dbraw/zinc/76/78/45/1031767845.db2.gz XLIKZSBGGNHPEN-KRWDZBQOSA-N 1 2 344.390 3.715 20 0 EHADLO Cc1scc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000179715540 1031771384 /nfs/dbraw/zinc/77/13/84/1031771384.db2.gz NGJNIZQZZVDVMC-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO Cc1scc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000179731696 1031772925 /nfs/dbraw/zinc/77/29/25/1031772925.db2.gz NFKIMNKLDZQBQD-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000179663058 1031795232 /nfs/dbraw/zinc/79/52/32/1031795232.db2.gz NMCPMQLFARAIFA-JTQLQIEISA-N 1 2 329.391 3.529 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000179663058 1031795247 /nfs/dbraw/zinc/79/52/47/1031795247.db2.gz NMCPMQLFARAIFA-JTQLQIEISA-N 1 2 329.391 3.529 20 0 EHADLO Fc1cccc(OCC[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180459108 1031855362 /nfs/dbraw/zinc/85/53/62/1031855362.db2.gz LBOLCATXKADCMQ-UHFFFAOYSA-N 1 2 326.371 3.895 20 0 EHADLO Fc1cccc(OCC[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180459108 1031855373 /nfs/dbraw/zinc/85/53/73/1031855373.db2.gz LBOLCATXKADCMQ-UHFFFAOYSA-N 1 2 326.371 3.895 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000448900080 1031856198 /nfs/dbraw/zinc/85/61/98/1031856198.db2.gz PVTIOGQMDCFSDJ-UZLBHIALSA-N 1 2 330.447 3.777 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)c1 ZINC000448905799 1031865624 /nfs/dbraw/zinc/86/56/24/1031865624.db2.gz CRACIFIUKPIBKA-UWJYYQICSA-N 1 2 342.483 3.647 20 0 EHADLO Cc1cnc(-c2cccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)c2)o1 ZINC000343671967 1031874727 /nfs/dbraw/zinc/87/47/27/1031874727.db2.gz FWOXDLFBNGWMPT-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO Cc1cnc(-c2cccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)c2)o1 ZINC000343671967 1031874748 /nfs/dbraw/zinc/87/47/48/1031874748.db2.gz FWOXDLFBNGWMPT-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278662051 1031875357 /nfs/dbraw/zinc/87/53/57/1031875357.db2.gz HUSANLLNHSPOTJ-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278662051 1031875374 /nfs/dbraw/zinc/87/53/74/1031875374.db2.gz HUSANLLNHSPOTJ-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000448914070 1031880524 /nfs/dbraw/zinc/88/05/24/1031880524.db2.gz XGDUPJPROYPDGC-KVSKMBFKSA-N 1 2 330.472 3.701 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000904262271 1031890301 /nfs/dbraw/zinc/89/03/01/1031890301.db2.gz BXYAVKCYWICJON-PSLIRLAXSA-N 1 2 342.424 3.501 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000904267726 1031895606 /nfs/dbraw/zinc/89/56/06/1031895606.db2.gz HSAYTMOSSOIBCS-CYBMUJFWSA-N 1 2 336.395 3.715 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000448910294 1031914242 /nfs/dbraw/zinc/91/42/42/1031914242.db2.gz NSZWRWXJYVLEKT-FRQCXROJSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1cc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nc(C(C)C)[nH+]1 ZINC000343684879 1031936836 /nfs/dbraw/zinc/93/68/36/1031936836.db2.gz LPYGLHYGTYQNGC-KRWDZBQOSA-N 1 2 339.487 3.862 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1nc2ccc(Cl)cc2n1C ZINC000460671436 1031947364 /nfs/dbraw/zinc/94/73/64/1031947364.db2.gz RUKXYENIKJTIHO-UHFFFAOYSA-N 1 2 339.830 3.630 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cc(F)cc(F)c1 ZINC000460669043 1031966023 /nfs/dbraw/zinc/96/60/23/1031966023.db2.gz CWWNRRIAQFOLQN-UHFFFAOYSA-N 1 2 345.393 3.775 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@H](C)CCC[C@@H]3CO)cs2)cc1 ZINC000181400796 1031985598 /nfs/dbraw/zinc/98/55/98/1031985598.db2.gz GBMFIUCSNHPMIX-NVXWUHKLSA-N 1 2 346.496 3.766 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@H](C)CCC[C@@H]3CO)cs2)cc1 ZINC000181400796 1031985606 /nfs/dbraw/zinc/98/56/06/1031985606.db2.gz GBMFIUCSNHPMIX-NVXWUHKLSA-N 1 2 346.496 3.766 20 0 EHADLO C[N@H+](Cc1sccc1NC(=O)OC(C)(C)C)Cc1cccc(=O)[nH]1 ZINC000897391627 1031989086 /nfs/dbraw/zinc/98/90/86/1031989086.db2.gz WIEOJBYDLHCWHV-UHFFFAOYSA-N 1 2 349.456 3.828 20 0 EHADLO C[N@@H+](Cc1sccc1NC(=O)OC(C)(C)C)Cc1cccc(=O)[nH]1 ZINC000897391627 1031989102 /nfs/dbraw/zinc/98/91/02/1031989102.db2.gz WIEOJBYDLHCWHV-UHFFFAOYSA-N 1 2 349.456 3.828 20 0 EHADLO CCC1(CC)[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C[C@@H]1OC ZINC000181507548 1031999401 /nfs/dbraw/zinc/99/94/01/1031999401.db2.gz FGHBLRBSANANPA-CVEARBPZSA-N 1 2 332.492 3.516 20 0 EHADLO CCC1(CC)[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C[C@@H]1OC ZINC000181507548 1031999412 /nfs/dbraw/zinc/99/94/12/1031999412.db2.gz FGHBLRBSANANPA-CVEARBPZSA-N 1 2 332.492 3.516 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000449006587 1032046327 /nfs/dbraw/zinc/04/63/27/1032046327.db2.gz GUEBUWZAJIXLMO-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000449006587 1032046340 /nfs/dbraw/zinc/04/63/40/1032046340.db2.gz GUEBUWZAJIXLMO-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000449007710 1032048983 /nfs/dbraw/zinc/04/89/83/1032048983.db2.gz AWNJDSITDCUBDW-UHFFFAOYSA-N 1 2 333.453 3.628 20 0 EHADLO CS(=O)(=O)c1cccc(C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000449007710 1032048996 /nfs/dbraw/zinc/04/89/96/1032048996.db2.gz AWNJDSITDCUBDW-UHFFFAOYSA-N 1 2 333.453 3.628 20 0 EHADLO CSC[C@H]1CCCN1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603021862 1033314867 /nfs/dbraw/zinc/31/48/67/1033314867.db2.gz NIOXCTLBSPZFGI-OAHLLOKOSA-N 1 2 344.484 3.660 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccccc1 ZINC000173439977 1033333871 /nfs/dbraw/zinc/33/38/71/1033333871.db2.gz LSYNBZBPMQZKKP-UHFFFAOYSA-N 1 2 328.485 3.842 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC3(CCCC3)C2)nc1-c1ccccc1 ZINC000173439977 1033333884 /nfs/dbraw/zinc/33/38/84/1033333884.db2.gz LSYNBZBPMQZKKP-UHFFFAOYSA-N 1 2 328.485 3.842 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@H]1c1ccccc1Cl)C2 ZINC001168285371 1033404034 /nfs/dbraw/zinc/40/40/34/1033404034.db2.gz FYVCRFCNJQNFDB-UZLBHIALSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@H]1c1ccccc1Cl)C2 ZINC001168285371 1033404039 /nfs/dbraw/zinc/40/40/39/1033404039.db2.gz FYVCRFCNJQNFDB-UZLBHIALSA-N 1 2 343.854 3.889 20 0 EHADLO C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000358118399 1033409719 /nfs/dbraw/zinc/40/97/19/1033409719.db2.gz MWKZJLFCSRXXRC-KRWDZBQOSA-N 1 2 348.450 3.893 20 0 EHADLO Clc1cnsc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213785652 1033455665 /nfs/dbraw/zinc/45/56/65/1033455665.db2.gz AXZGUIJYXVNQGK-UHFFFAOYSA-N 1 2 329.772 3.699 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000171354531 1033471017 /nfs/dbraw/zinc/47/10/17/1033471017.db2.gz JQEILQQQCVDONL-KRWDZBQOSA-N 1 2 344.846 3.571 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000608054104 1033472755 /nfs/dbraw/zinc/47/27/55/1033472755.db2.gz KWBMEIDCPBSSMH-ZDUSSCGKSA-N 1 2 326.375 3.597 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000449962102 1033500737 /nfs/dbraw/zinc/50/07/37/1033500737.db2.gz XJJHZPHCTIJDOJ-BHIYHBOVSA-N 1 2 325.456 3.609 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cccc(OC3CC3)c2F)c1 ZINC000594735040 1033508882 /nfs/dbraw/zinc/50/88/82/1033508882.db2.gz HZFBPHYPGNIIAE-UHFFFAOYSA-N 1 2 348.443 3.600 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529168824 1033536741 /nfs/dbraw/zinc/53/67/41/1033536741.db2.gz UIFLRVFKPITOKP-JKSUJKDBSA-N 1 2 331.485 3.549 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC001168295302 1033547287 /nfs/dbraw/zinc/54/72/87/1033547287.db2.gz KQGYFYACBHIVFY-QZTJIDSGSA-N 1 2 333.472 3.818 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC001168295302 1033547293 /nfs/dbraw/zinc/54/72/93/1033547293.db2.gz KQGYFYACBHIVFY-QZTJIDSGSA-N 1 2 333.472 3.818 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000069608943 1033553658 /nfs/dbraw/zinc/55/36/58/1033553658.db2.gz QVNQZGDNQFGZFL-UHFFFAOYSA-N 1 2 345.874 3.579 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000069608943 1033553669 /nfs/dbraw/zinc/55/36/69/1033553669.db2.gz QVNQZGDNQFGZFL-UHFFFAOYSA-N 1 2 345.874 3.579 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000608260302 1033554671 /nfs/dbraw/zinc/55/46/71/1033554671.db2.gz UVLCQFVURYZASS-KRWDZBQOSA-N 1 2 338.386 3.665 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cc(C(F)(F)F)nn2C)c1 ZINC000594936584 1033585263 /nfs/dbraw/zinc/58/52/63/1033585263.db2.gz NDXUZAOEFLQYLU-UHFFFAOYSA-N 1 2 330.379 3.699 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc3c(cccc3C)[nH]2)s1 ZINC000594951164 1033594284 /nfs/dbraw/zinc/59/42/84/1033594284.db2.gz SDPBMOUWVUYXPW-LLVKDONJSA-N 1 2 329.425 3.570 20 0 EHADLO CC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCCCC1 ZINC000510184272 1033675409 /nfs/dbraw/zinc/67/54/09/1033675409.db2.gz WNISOHXKZHCBSD-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1C ZINC000545231889 1033700415 /nfs/dbraw/zinc/70/04/15/1033700415.db2.gz SMKJEPVJNKLOMH-SECBINFHSA-N 1 2 332.395 3.846 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000529255684 1033714391 /nfs/dbraw/zinc/71/43/91/1033714391.db2.gz ZLDBTOCPTBKAHP-NSHDSACASA-N 1 2 336.798 3.922 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000595299572 1033724362 /nfs/dbraw/zinc/72/43/62/1033724362.db2.gz UWOJOUOXDHZSOH-INIZCTEOSA-N 1 2 341.436 3.748 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000595299572 1033724375 /nfs/dbraw/zinc/72/43/75/1033724375.db2.gz UWOJOUOXDHZSOH-INIZCTEOSA-N 1 2 341.436 3.748 20 0 EHADLO C[C@@H](Cc1nc(Cc2cc(Cl)ccc2Cl)no1)n1cc[nH+]c1 ZINC000574993101 1033754069 /nfs/dbraw/zinc/75/40/69/1033754069.db2.gz HSXKYLRRFCGYIJ-JTQLQIEISA-N 1 2 337.210 3.967 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599150904 1033764644 /nfs/dbraw/zinc/76/46/44/1033764644.db2.gz UBVQWQGKIQMFJG-KBPBESRZSA-N 1 2 341.455 3.621 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)[nH+]c12 ZINC000548854274 1033768326 /nfs/dbraw/zinc/76/83/26/1033768326.db2.gz CKQIYWLGYKJRPA-LJQANCHMSA-N 1 2 339.414 3.838 20 0 EHADLO CC(C)CC(CC(C)C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000450148039 1033811109 /nfs/dbraw/zinc/81/11/09/1033811109.db2.gz YQSKOEMYQPGRFB-QGZVFWFLSA-N 1 2 333.520 3.910 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCCCC1 ZINC000007002090 1033847225 /nfs/dbraw/zinc/84/72/25/1033847225.db2.gz BXGLUJIPXHDJDB-RYUDHWBXSA-N 1 2 331.485 3.656 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C)n2)cc1 ZINC000599296795 1033859387 /nfs/dbraw/zinc/85/93/87/1033859387.db2.gz OUZPZWOVMZWUPZ-INIZCTEOSA-N 1 2 329.469 3.795 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C)n2)cc1 ZINC000599296795 1033859404 /nfs/dbraw/zinc/85/94/04/1033859404.db2.gz OUZPZWOVMZWUPZ-INIZCTEOSA-N 1 2 329.469 3.795 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)CCc3ccc(F)cc3)no2)cc1 ZINC000055059506 1033908413 /nfs/dbraw/zinc/90/84/13/1033908413.db2.gz NGNKLKKFLVWBAV-UHFFFAOYSA-N 1 2 341.386 3.559 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)CCc3ccc(F)cc3)no2)cc1 ZINC000055059506 1033908432 /nfs/dbraw/zinc/90/84/32/1033908432.db2.gz NGNKLKKFLVWBAV-UHFFFAOYSA-N 1 2 341.386 3.559 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCc4ccsc4C3)cc12 ZINC000761123540 1033912712 /nfs/dbraw/zinc/91/27/12/1033912712.db2.gz PVSMEBUMADFDJS-UHFFFAOYSA-N 1 2 332.860 3.550 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCc4ccsc4C3)cc12 ZINC000761123540 1033912722 /nfs/dbraw/zinc/91/27/22/1033912722.db2.gz PVSMEBUMADFDJS-UHFFFAOYSA-N 1 2 332.860 3.550 20 0 EHADLO COc1cccc([C@@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000084631371 1033921498 /nfs/dbraw/zinc/92/14/98/1033921498.db2.gz IIDPAGUAGNKNET-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnc1Nc1ccccc1F ZINC000603808902 1033939909 /nfs/dbraw/zinc/93/99/09/1033939909.db2.gz LEOHSJHJQNCJGU-UHFFFAOYSA-N 1 2 347.353 3.864 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1csc(-c2ccccc2F)n1 ZINC000603809239 1033939997 /nfs/dbraw/zinc/93/99/97/1033939997.db2.gz WHUZONCHUUBGLA-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000450241985 1033944389 /nfs/dbraw/zinc/94/43/89/1033944389.db2.gz HTBQMRAXZUPJKK-IPMKNSEASA-N 1 2 337.467 3.710 20 0 EHADLO COCCCC[N@@H+](Cc1ccccc1)Cn1ncn(C2CC2)c1=S ZINC000064028941 1033960671 /nfs/dbraw/zinc/96/06/71/1033960671.db2.gz HEFLMFUBCLMUNZ-UHFFFAOYSA-N 1 2 346.500 3.635 20 0 EHADLO COCCCC[N@H+](Cc1ccccc1)Cn1ncn(C2CC2)c1=S ZINC000064028941 1033960680 /nfs/dbraw/zinc/96/06/80/1033960680.db2.gz HEFLMFUBCLMUNZ-UHFFFAOYSA-N 1 2 346.500 3.635 20 0 EHADLO C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc2cc(Br)ccc2s1 ZINC001205069045 1033982774 /nfs/dbraw/zinc/98/27/74/1033982774.db2.gz SLDXZRCROQJOAU-GWCFXTLKSA-N 1 2 339.302 3.975 20 0 EHADLO C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc2cc(Br)ccc2s1 ZINC001205069045 1033982784 /nfs/dbraw/zinc/98/27/84/1033982784.db2.gz SLDXZRCROQJOAU-GWCFXTLKSA-N 1 2 339.302 3.975 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Oc2ccccc2)nc1 ZINC000603883995 1034005004 /nfs/dbraw/zinc/00/50/04/1034005004.db2.gz NDCRKXLQJQHKAZ-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(Oc2ccncc2)c1 ZINC000603883271 1034005423 /nfs/dbraw/zinc/00/54/23/1034005423.db2.gz CCXICIPXFKVOOV-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)ccc1Cl ZINC000603883655 1034006089 /nfs/dbraw/zinc/00/60/89/1034006089.db2.gz INVKDODEHIBRDX-GFCCVEGCSA-N 1 2 329.787 3.702 20 0 EHADLO CCOC(=O)CCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595844685 1034008848 /nfs/dbraw/zinc/00/88/48/1034008848.db2.gz JSVYHQWGJGVKQQ-CQSZACIVSA-N 1 2 326.234 3.539 20 0 EHADLO CCOC(=O)CCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595844685 1034008859 /nfs/dbraw/zinc/00/88/59/1034008859.db2.gz JSVYHQWGJGVKQQ-CQSZACIVSA-N 1 2 326.234 3.539 20 0 EHADLO CCn1cc(C[NH2+][C@H](CC(C)C)c2cc(Cl)ccc2OC)nn1 ZINC000658176141 1034041509 /nfs/dbraw/zinc/04/15/09/1034041509.db2.gz LNHMHVISXYSWIY-MRXNPFEDSA-N 1 2 336.867 3.837 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000056817575 1034047999 /nfs/dbraw/zinc/04/79/99/1034047999.db2.gz AHIKAGDCRMNXNP-VQIMIIECSA-N 1 2 340.471 3.557 20 0 EHADLO CCOCCCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000866877497 1034054591 /nfs/dbraw/zinc/05/45/91/1034054591.db2.gz FZTDVROMVOACPJ-UHFFFAOYSA-N 1 2 340.427 3.731 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2C)C2CC2)cc1 ZINC000450303410 1034056896 /nfs/dbraw/zinc/05/68/96/1034056896.db2.gz YISFWGFQCDBUBU-UHFFFAOYSA-N 1 2 343.492 3.953 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2C)C2CC2)cc1 ZINC000450303410 1034056911 /nfs/dbraw/zinc/05/69/11/1034056911.db2.gz YISFWGFQCDBUBU-UHFFFAOYSA-N 1 2 343.492 3.953 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000603942530 1034059890 /nfs/dbraw/zinc/05/98/90/1034059890.db2.gz YKNJZCBPTXZRFD-INIZCTEOSA-N 1 2 341.455 3.920 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000603942530 1034059907 /nfs/dbraw/zinc/05/99/07/1034059907.db2.gz YKNJZCBPTXZRFD-INIZCTEOSA-N 1 2 341.455 3.920 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000596155599 1034082333 /nfs/dbraw/zinc/08/23/33/1034082333.db2.gz UODXPMNTBFRGME-QWHCGFSZSA-N 1 2 330.350 3.578 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119106874 1034085081 /nfs/dbraw/zinc/08/50/81/1034085081.db2.gz HMUIOMLREVITCP-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119106874 1034085098 /nfs/dbraw/zinc/08/50/98/1034085098.db2.gz HMUIOMLREVITCP-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658237614 1034105960 /nfs/dbraw/zinc/10/59/60/1034105960.db2.gz NQQQTAKEJNSLGL-ZDUSSCGKSA-N 1 2 347.484 3.662 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(CCC(C)C)n2)[C@@H](C)C1 ZINC000599707540 1034131395 /nfs/dbraw/zinc/13/13/95/1034131395.db2.gz NIYZUSKTPBCVFB-QDMKHBRRSA-N 1 2 338.517 3.894 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc(CCC(C)C)n2)[C@@H](C)C1 ZINC000599707540 1034131409 /nfs/dbraw/zinc/13/14/09/1034131409.db2.gz NIYZUSKTPBCVFB-QDMKHBRRSA-N 1 2 338.517 3.894 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529526277 1034134476 /nfs/dbraw/zinc/13/44/76/1034134476.db2.gz AVAXLEVBPUFHPH-SNVBAGLBSA-N 1 2 339.208 3.882 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529526277 1034134480 /nfs/dbraw/zinc/13/44/80/1034134480.db2.gz AVAXLEVBPUFHPH-SNVBAGLBSA-N 1 2 339.208 3.882 20 0 EHADLO CCc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000534123771 1034146481 /nfs/dbraw/zinc/14/64/81/1034146481.db2.gz FUMDDNCQXNIMNS-CJNGLKHVSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000534123771 1034146488 /nfs/dbraw/zinc/14/64/88/1034146488.db2.gz FUMDDNCQXNIMNS-CJNGLKHVSA-N 1 2 349.887 3.534 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+]CC2CCC(O)CC2)C(F)F)c1 ZINC000658282805 1034157635 /nfs/dbraw/zinc/15/76/35/1034157635.db2.gz BITJBKLCMNOYCT-PUJMQQBBSA-N 1 2 327.415 3.921 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000450348571 1034157855 /nfs/dbraw/zinc/15/78/55/1034157855.db2.gz SAHRXKYTADAHHE-JSNMRZPZSA-N 1 2 347.405 3.503 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000450348571 1034157869 /nfs/dbraw/zinc/15/78/69/1034157869.db2.gz SAHRXKYTADAHHE-JSNMRZPZSA-N 1 2 347.405 3.503 20 0 EHADLO c1cc(-c2nc(C[NH+]3CCC(Nc4ccccn4)CC3)cs2)co1 ZINC000534126381 1034167870 /nfs/dbraw/zinc/16/78/70/1034167870.db2.gz HRVMSZHATZABGC-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3cc(C)ccc3OC)CCO2)c1 ZINC000119468668 1034183319 /nfs/dbraw/zinc/18/33/19/1034183319.db2.gz JXHJWLXIZVNPOR-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3OC)CCO2)c1 ZINC000119468668 1034183331 /nfs/dbraw/zinc/18/33/31/1034183331.db2.gz JXHJWLXIZVNPOR-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(F)cc1OC ZINC000529578362 1034208494 /nfs/dbraw/zinc/20/84/94/1034208494.db2.gz RDXKHNLOMHXCJK-QAPCUYQASA-N 1 2 337.435 3.622 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(F)cc1OC ZINC000529578362 1034208508 /nfs/dbraw/zinc/20/85/08/1034208508.db2.gz RDXKHNLOMHXCJK-QAPCUYQASA-N 1 2 337.435 3.622 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2ccsc2Br)CC1 ZINC000529567060 1034220442 /nfs/dbraw/zinc/22/04/42/1034220442.db2.gz RCQRXELHWFGUOX-UHFFFAOYSA-N 1 2 338.274 3.533 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2ccsc2Br)CC1 ZINC000529567060 1034220459 /nfs/dbraw/zinc/22/04/59/1034220459.db2.gz RCQRXELHWFGUOX-UHFFFAOYSA-N 1 2 338.274 3.533 20 0 EHADLO CCCOc1cccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000537622323 1034224380 /nfs/dbraw/zinc/22/43/80/1034224380.db2.gz TVHZMHWQBSNHIN-AWEZNQCLSA-N 1 2 330.394 3.544 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000450396213 1034236564 /nfs/dbraw/zinc/23/65/64/1034236564.db2.gz VGHBSRPBRDIYAH-INIZCTEOSA-N 1 2 347.455 3.609 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000450396213 1034236577 /nfs/dbraw/zinc/23/65/77/1034236577.db2.gz VGHBSRPBRDIYAH-INIZCTEOSA-N 1 2 347.455 3.609 20 0 EHADLO CCc1sc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000060129871 1034241118 /nfs/dbraw/zinc/24/11/18/1034241118.db2.gz FMPDLIXAZBECFZ-UHFFFAOYSA-N 1 2 325.437 3.735 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421838112 1034248522 /nfs/dbraw/zinc/24/85/22/1034248522.db2.gz SZUAGPWDOOYZTG-SFHVURJKSA-N 1 2 337.467 3.586 20 0 EHADLO Cc1cc2cc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)ccc2[nH]1 ZINC000120960223 1034277147 /nfs/dbraw/zinc/27/71/47/1034277147.db2.gz BAZLNLUIJQDRLV-UHFFFAOYSA-N 1 2 349.438 3.662 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596591001 1034306908 /nfs/dbraw/zinc/30/69/08/1034306908.db2.gz GCPMMNJBMCRUJA-QGZVFWFLSA-N 1 2 328.412 3.607 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596591001 1034306916 /nfs/dbraw/zinc/30/69/16/1034306916.db2.gz GCPMMNJBMCRUJA-QGZVFWFLSA-N 1 2 328.412 3.607 20 0 EHADLO Cn1ccnc1C([NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1)c1nccn1C ZINC000529639902 1034331680 /nfs/dbraw/zinc/33/16/80/1034331680.db2.gz AAHULWATWRYCEI-HOTGVXAUSA-N 1 2 343.519 3.828 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000121011679 1034348300 /nfs/dbraw/zinc/34/83/00/1034348300.db2.gz IAEKZOKSAMYBIP-INIZCTEOSA-N 1 2 335.407 3.704 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000121012472 1034348595 /nfs/dbraw/zinc/34/85/95/1034348595.db2.gz FTXGVQABSKGNIS-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000121012472 1034348611 /nfs/dbraw/zinc/34/86/11/1034348611.db2.gz FTXGVQABSKGNIS-SCLBCKFNSA-N 1 2 333.453 3.727 20 0 EHADLO COc1sc(C[NH+]2CC(Cc3ccco3)C2)cc1Br ZINC000529648968 1034353376 /nfs/dbraw/zinc/35/33/76/1034353376.db2.gz LXVCTBXAMVPESA-UHFFFAOYSA-N 1 2 342.258 3.787 20 0 EHADLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1-c1ccccc1Cl ZINC000534299975 1034356068 /nfs/dbraw/zinc/35/60/68/1034356068.db2.gz OQQYDHSLNVYTRE-UHFFFAOYSA-N 1 2 340.814 3.520 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)c(C)c[nH+]1 ZINC000534299357 1034356983 /nfs/dbraw/zinc/35/69/83/1034356983.db2.gz FLZVKAPVRYIKFQ-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450452331 1034359059 /nfs/dbraw/zinc/35/90/59/1034359059.db2.gz MEJLPPQIBPZCRE-UHFFFAOYSA-N 1 2 329.469 3.804 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000685717737 1034362118 /nfs/dbraw/zinc/36/21/18/1034362118.db2.gz MYUYNVHRJKFZFJ-OAQYLSRUSA-N 1 2 345.446 3.586 20 0 EHADLO CC[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604599542 1034420755 /nfs/dbraw/zinc/42/07/55/1034420755.db2.gz RLMBOFBCPWTJTB-GOSISDBHSA-N 1 2 348.450 3.865 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635940987 1034421344 /nfs/dbraw/zinc/42/13/44/1034421344.db2.gz BZYKFUBNMXEJOM-HZPDHXFCSA-N 1 2 331.464 3.913 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000081956860 1034423406 /nfs/dbraw/zinc/42/34/06/1034423406.db2.gz NAHYUHJJMXCJNJ-LJQANCHMSA-N 1 2 344.418 3.615 20 0 EHADLO CC(C)CC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000604577076 1034425706 /nfs/dbraw/zinc/42/57/06/1034425706.db2.gz AZYDXEQIIMSVCP-KRWDZBQOSA-N 1 2 348.535 3.912 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C/C=C/c3ccc(F)cc3)[nH+]c12 ZINC000081964601 1034442889 /nfs/dbraw/zinc/44/28/89/1034442889.db2.gz HQMFHJHZEDOAKP-GORDUTHDSA-N 1 2 337.398 3.544 20 0 EHADLO CC1(C)CCC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000534406925 1034502910 /nfs/dbraw/zinc/50/29/10/1034502910.db2.gz YMMCRCMCLOKGLL-KRWDZBQOSA-N 1 2 344.499 3.643 20 0 EHADLO CC(C)c1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604839456 1034521518 /nfs/dbraw/zinc/52/15/18/1034521518.db2.gz FGONWXXRWUDSLI-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C(C)C)n1 ZINC000450606513 1034569601 /nfs/dbraw/zinc/56/96/01/1034569601.db2.gz UIYFZFHXMAHOOD-UHFFFAOYSA-N 1 2 334.423 3.629 20 0 EHADLO C[N@H+](Cc1ccccn1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628238414 1034570772 /nfs/dbraw/zinc/57/07/72/1034570772.db2.gz YEMDPDUAODQAMJ-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628238414 1034570782 /nfs/dbraw/zinc/57/07/82/1034570782.db2.gz YEMDPDUAODQAMJ-UHFFFAOYSA-N 1 2 328.309 3.794 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154767 1034650535 /nfs/dbraw/zinc/65/05/35/1034650535.db2.gz ABBADFFSZRKZCO-RHSMWYFYSA-N 1 2 346.521 3.543 20 0 EHADLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154767 1034650544 /nfs/dbraw/zinc/65/05/44/1034650544.db2.gz ABBADFFSZRKZCO-RHSMWYFYSA-N 1 2 346.521 3.543 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)NC1CCCCCC1 ZINC000605153982 1034650777 /nfs/dbraw/zinc/65/07/77/1034650777.db2.gz GAIYIKOCECKKJG-GOSISDBHSA-N 1 2 332.513 3.616 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)NC1CCCCCC1 ZINC000605153982 1034650788 /nfs/dbraw/zinc/65/07/88/1034650788.db2.gz GAIYIKOCECKKJG-GOSISDBHSA-N 1 2 332.513 3.616 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccccc1 ZINC000450666783 1034666705 /nfs/dbraw/zinc/66/67/05/1034666705.db2.gz IQLPRSDSWZGZIB-NRFANRHFSA-N 1 2 335.451 3.603 20 0 EHADLO CSCCc1ccccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000601718888 1034698959 /nfs/dbraw/zinc/69/89/59/1034698959.db2.gz ZXSUDHKYLBTGBP-UHFFFAOYSA-N 1 2 339.464 3.729 20 0 EHADLO Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)c2ccccc12 ZINC000413651622 1034718401 /nfs/dbraw/zinc/71/84/01/1034718401.db2.gz HRMWMASQLVSELQ-UHFFFAOYSA-N 1 2 336.439 3.576 20 0 EHADLO Cc1[nH]c(CN(C)Cc2ccc(F)cc2Br)[nH+]c1C ZINC000628251789 1034733814 /nfs/dbraw/zinc/73/38/14/1034733814.db2.gz WCYGJKVLCLIUTJ-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO Cc1ccc(OCCCC(=O)NCc2c[nH+]c(C)cc2C)c(C)c1 ZINC000456846999 1034764973 /nfs/dbraw/zinc/76/49/73/1034764973.db2.gz UNZQDOQMNFKNNV-UHFFFAOYSA-N 1 2 326.440 3.791 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450772134 1034768109 /nfs/dbraw/zinc/76/81/09/1034768109.db2.gz KPKVAXZJQSBYRP-LLVKDONJSA-N 1 2 343.397 3.556 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)c2cccc(Br)c2)c[nH+]1 ZINC000456830599 1034775451 /nfs/dbraw/zinc/77/54/51/1034775451.db2.gz DDRJRQLBWGTUBO-CYBMUJFWSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)c[nH+]1 ZINC000456835658 1034779557 /nfs/dbraw/zinc/77/95/57/1034779557.db2.gz JFJQZVXXKXXZIS-JKSUJKDBSA-N 1 2 346.377 3.720 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456837966 1034782655 /nfs/dbraw/zinc/78/26/55/1034782655.db2.gz BWRZMRWEOKQVGQ-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456839381 1034785846 /nfs/dbraw/zinc/78/58/46/1034785846.db2.gz MVEVLTSHFSFVAP-ZDUSSCGKSA-N 1 2 344.842 3.877 20 0 EHADLO CCC1(CC)C[N@H+](Cc2noc(-c3cncc(C)c3)n2)CCS1 ZINC000450778603 1034804612 /nfs/dbraw/zinc/80/46/12/1034804612.db2.gz UUNFJRZJVFTLJJ-UHFFFAOYSA-N 1 2 332.473 3.548 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2noc(-c3cncc(C)c3)n2)CCS1 ZINC000450778603 1034804628 /nfs/dbraw/zinc/80/46/28/1034804628.db2.gz UUNFJRZJVFTLJJ-UHFFFAOYSA-N 1 2 332.473 3.548 20 0 EHADLO CO[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C[C@@H]1C ZINC000450779285 1034807089 /nfs/dbraw/zinc/80/70/89/1034807089.db2.gz VXYFNWVGOMNRSF-XHDPSFHLSA-N 1 2 335.245 3.859 20 0 EHADLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cn1cccnc1=S ZINC000177199861 1034820206 /nfs/dbraw/zinc/82/02/06/1034820206.db2.gz KHEBBSHPQVGBOQ-UHFFFAOYSA-N 1 2 329.347 3.601 20 0 EHADLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cn1cccnc1=S ZINC000177199861 1034820215 /nfs/dbraw/zinc/82/02/15/1034820215.db2.gz KHEBBSHPQVGBOQ-UHFFFAOYSA-N 1 2 329.347 3.601 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000612349037 1034823850 /nfs/dbraw/zinc/82/38/50/1034823850.db2.gz BAGZJPHAWUYOGD-MMOPVJDHSA-N 1 2 337.467 3.661 20 0 EHADLO CCC1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000612348128 1034824527 /nfs/dbraw/zinc/82/45/27/1034824527.db2.gz VAGOZIZNDBMQLU-GJZGRUSLSA-N 1 2 339.430 3.898 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000601930313 1034828372 /nfs/dbraw/zinc/82/83/72/1034828372.db2.gz GFLVQTRKHUDCSJ-OLZOCXBDSA-N 1 2 332.400 3.660 20 0 EHADLO CC(C)c1nc(N2CC[S@@](=O)C(C)(C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000450834906 1034842307 /nfs/dbraw/zinc/84/23/07/1034842307.db2.gz ZSKOBISYARBIMN-HSZRJFAPSA-N 1 2 337.533 3.635 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1csnn1 ZINC000450843094 1034852493 /nfs/dbraw/zinc/85/24/93/1034852493.db2.gz HQFLPNZERVHYQZ-REAQECSSSA-N 1 2 327.812 3.511 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@]3(C)Cc3ccccc3)[nH+]c12 ZINC000545246453 1034889250 /nfs/dbraw/zinc/88/92/50/1034889250.db2.gz SSNBGZVCVCCEDQ-QFIPXVFZSA-N 1 2 347.462 3.809 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000375930978 1034945687 /nfs/dbraw/zinc/94/56/87/1034945687.db2.gz JMPMFNKCKOXKEA-AWEZNQCLSA-N 1 2 343.858 3.511 20 0 EHADLO Cc1cc(C(F)(F)F)c(=O)n(C[N@@H+](C)C[C@@H](C)C2CCCCC2)n1 ZINC000530108083 1034969846 /nfs/dbraw/zinc/96/98/46/1034969846.db2.gz KCVWVOZPIGGERR-GFCCVEGCSA-N 1 2 345.409 3.676 20 0 EHADLO Cc1cc(C(F)(F)F)c(=O)n(C[N@H+](C)C[C@@H](C)C2CCCCC2)n1 ZINC000530108083 1034969859 /nfs/dbraw/zinc/96/98/59/1034969859.db2.gz KCVWVOZPIGGERR-GFCCVEGCSA-N 1 2 345.409 3.676 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cccs2)CC1 ZINC000121496069 1034975684 /nfs/dbraw/zinc/97/56/84/1034975684.db2.gz DRFPUXOUFBYTAB-AWEZNQCLSA-N 1 2 340.452 3.681 20 0 EHADLO Cc1noc([C@H]2CCCC[N@H+]2CCCC(=O)c2ccc(F)cc2)n1 ZINC000450993299 1035003386 /nfs/dbraw/zinc/00/33/86/1035003386.db2.gz UWFVVAUERSRCAM-MRXNPFEDSA-N 1 2 331.391 3.707 20 0 EHADLO Cc1noc([C@H]2CCCC[N@@H+]2CCCC(=O)c2ccc(F)cc2)n1 ZINC000450993299 1035003382 /nfs/dbraw/zinc/00/33/82/1035003382.db2.gz UWFVVAUERSRCAM-MRXNPFEDSA-N 1 2 331.391 3.707 20 0 EHADLO Cc1ccc(NC(=O)c2sccc2Br)c(N(C)C)[nH+]1 ZINC000152872996 1035023884 /nfs/dbraw/zinc/02/38/84/1035023884.db2.gz QVFQMWKSUPQRLM-UHFFFAOYSA-N 1 2 340.246 3.532 20 0 EHADLO O=C(Nc1ccc(F)cc1OC1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612668344 1035152583 /nfs/dbraw/zinc/15/25/83/1035152583.db2.gz OPSHRFLUQBBBHV-ZDUSSCGKSA-N 1 2 343.402 3.545 20 0 EHADLO CCc1[nH]ccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376065593 1035205865 /nfs/dbraw/zinc/20/58/65/1035205865.db2.gz HPWXSHFOYMJNBE-UHFFFAOYSA-N 1 2 332.407 3.745 20 0 EHADLO CCC(C)(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000612842492 1035254468 /nfs/dbraw/zinc/25/44/68/1035254468.db2.gz IQCDFWUXJPZIIJ-IAGOWNOFSA-N 1 2 325.456 3.528 20 0 EHADLO Cc1ccc(/C=C/C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000376120723 1035290922 /nfs/dbraw/zinc/29/09/22/1035290922.db2.gz YULQYPNPZKOXAM-CMDGGOBGSA-N 1 2 343.858 3.853 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc2-c2ccccc21 ZINC000413966634 1035295664 /nfs/dbraw/zinc/29/56/64/1035295664.db2.gz LQRABQXWSWQSQW-KRWDZBQOSA-N 1 2 343.430 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC2(c3ccccc3)CCC2)c1C ZINC000066220780 1035299348 /nfs/dbraw/zinc/29/93/48/1035299348.db2.gz UJTMVTCUHFDRQP-UHFFFAOYSA-N 1 2 339.439 3.586 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000613006453 1035351156 /nfs/dbraw/zinc/35/11/56/1035351156.db2.gz UXRVCHOSZVPOCZ-AWEZNQCLSA-N 1 2 339.826 3.856 20 0 EHADLO CC1(C)CCC(C)(C)N(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636253133 1035394469 /nfs/dbraw/zinc/39/44/69/1035394469.db2.gz GZQQKAVNFSZRDT-GFCCVEGCSA-N 1 2 331.382 3.804 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000414049159 1035403907 /nfs/dbraw/zinc/40/39/07/1035403907.db2.gz FRUAJGIMZLLLAF-QFIPXVFZSA-N 1 2 347.462 3.627 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)s1 ZINC000414063716 1035427051 /nfs/dbraw/zinc/42/70/51/1035427051.db2.gz DEUPQSMXUATLHG-ZANVPECISA-N 1 2 336.844 3.921 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157890250 1035506075 /nfs/dbraw/zinc/50/60/75/1035506075.db2.gz SXKFXPWMFAXYSZ-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157890250 1035506079 /nfs/dbraw/zinc/50/60/79/1035506079.db2.gz SXKFXPWMFAXYSZ-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127245991 1035521554 /nfs/dbraw/zinc/52/15/54/1035521554.db2.gz KZPCSWQPMHHTGZ-KBPBESRZSA-N 1 2 332.444 3.622 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127245991 1035521567 /nfs/dbraw/zinc/52/15/67/1035521567.db2.gz KZPCSWQPMHHTGZ-KBPBESRZSA-N 1 2 332.444 3.622 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(C(F)(F)F)CC1 ZINC000492263173 1035537341 /nfs/dbraw/zinc/53/73/41/1035537341.db2.gz KQGKBWJXNDRDLR-ZZXKWVIFSA-N 1 2 347.340 3.607 20 0 EHADLO CC1(C)[C@@H](C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000666154637 1035565715 /nfs/dbraw/zinc/56/57/15/1035565715.db2.gz ANSOWXQNFJVOSZ-GBESFXJTSA-N 1 2 332.451 3.924 20 0 EHADLO Cc1c(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cnn1CC(C)C ZINC000492291795 1035585805 /nfs/dbraw/zinc/58/58/05/1035585805.db2.gz BHLUSECSKOWICG-TWGQIWQCSA-N 1 2 349.438 3.685 20 0 EHADLO COc1cc(C)[nH+]c(CSCCOc2ccccc2C(C)=O)c1 ZINC000540724318 1035611614 /nfs/dbraw/zinc/61/16/14/1035611614.db2.gz GKLBTVQNVVYUGD-UHFFFAOYSA-N 1 2 331.437 3.913 20 0 EHADLO c1csc([C@@H](CNc2nccc3sccc32)[NH+]2CCOCC2)c1 ZINC000613355288 1035622809 /nfs/dbraw/zinc/62/28/09/1035622809.db2.gz VEDOTMCQCBHXPK-CQSZACIVSA-N 1 2 345.493 3.843 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C(F)F)c2)s1 ZINC000414123124 1035633164 /nfs/dbraw/zinc/63/31/64/1035633164.db2.gz BCTUAHLKGYBLJA-SECBINFHSA-N 1 2 326.368 3.718 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(C)nc3C)CC2)c1 ZINC000186955515 1035750758 /nfs/dbraw/zinc/75/07/58/1035750758.db2.gz CXNZRFNWSXZQCZ-SFHVURJKSA-N 1 2 339.483 3.586 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000187101791 1035761402 /nfs/dbraw/zinc/76/14/02/1035761402.db2.gz MZOFKDQJSZVZMJ-GFCCVEGCSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000187101791 1035761412 /nfs/dbraw/zinc/76/14/12/1035761412.db2.gz MZOFKDQJSZVZMJ-GFCCVEGCSA-N 1 2 329.893 3.754 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1)NCc1ccco1 ZINC000174037979 1035764601 /nfs/dbraw/zinc/76/46/01/1035764601.db2.gz FQYDTSHTEBIYGN-NRFANRHFSA-N 1 2 346.430 3.695 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1)NCc1ccco1 ZINC000174037979 1035764620 /nfs/dbraw/zinc/76/46/20/1035764620.db2.gz FQYDTSHTEBIYGN-NRFANRHFSA-N 1 2 346.430 3.695 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)n1cc[nH+]c1 ZINC000571885405 1035773613 /nfs/dbraw/zinc/77/36/13/1035773613.db2.gz MFBMPHFNAPBILL-HNNXBMFYSA-N 1 2 349.438 3.611 20 0 EHADLO CCSc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414152856 1035799058 /nfs/dbraw/zinc/79/90/58/1035799058.db2.gz XKLKEDOKEIDBLU-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO Cc1ccc(C[S@](=O)[C@H](C)C(=O)Nc2c(C)cccc2C)c(C)[nH+]1 ZINC000187239041 1035799804 /nfs/dbraw/zinc/79/98/04/1035799804.db2.gz DQJNGKTWXVFTMF-GYCJOSAFSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2c(C)cccc2C)c(C)[nH+]1 ZINC000187239077 1035800531 /nfs/dbraw/zinc/80/05/31/1035800531.db2.gz DQJNGKTWXVFTMF-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO COc1cc([C@@H](C)Nc2[nH+]c3ccccc3n2C)ccc1OC(C)C ZINC000534980090 1035859634 /nfs/dbraw/zinc/85/96/34/1035859634.db2.gz IQAZOJQOSTYTQB-CQSZACIVSA-N 1 2 339.439 3.964 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C2CC2)o1 ZINC000613441478 1035894824 /nfs/dbraw/zinc/89/48/24/1035894824.db2.gz HCDAGJLGMCTKQD-UHFFFAOYSA-N 1 2 326.440 3.994 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(c2ccccc2)C(C)C)C2CC2)o1 ZINC000613441478 1035894837 /nfs/dbraw/zinc/89/48/37/1035894837.db2.gz HCDAGJLGMCTKQD-UHFFFAOYSA-N 1 2 326.440 3.994 20 0 EHADLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)ccc1OCCC(C)C ZINC000535036629 1035914127 /nfs/dbraw/zinc/91/41/27/1035914127.db2.gz WMIQTUHAZNUVTC-UHFFFAOYSA-N 1 2 342.439 3.806 20 0 EHADLO CCc1nc(C[NH+]2CCC(Oc3ccc(OC)cc3)CC2)cs1 ZINC000613456915 1035919003 /nfs/dbraw/zinc/91/90/03/1035919003.db2.gz NODNXONCDMEGCS-UHFFFAOYSA-N 1 2 332.469 3.758 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1ccc(F)c(F)c1O)c1ccccc1 ZINC000457293981 1035924726 /nfs/dbraw/zinc/92/47/26/1035924726.db2.gz MRCQMJRSEDKZML-INIZCTEOSA-N 1 2 334.366 3.692 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(Cl)cc2)on1 ZINC000613456077 1035934255 /nfs/dbraw/zinc/93/42/55/1035934255.db2.gz CDTFVKRGGYWKNG-CZUORRHYSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(Cl)cc2)on1 ZINC000613456077 1035934274 /nfs/dbraw/zinc/93/42/74/1035934274.db2.gz CDTFVKRGGYWKNG-CZUORRHYSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)on1 ZINC000613456148 1035934591 /nfs/dbraw/zinc/93/45/91/1035934591.db2.gz CYCOHAGNSIHKTQ-PXNSSMCTSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)on1 ZINC000613456148 1035934604 /nfs/dbraw/zinc/93/46/04/1035934604.db2.gz CYCOHAGNSIHKTQ-PXNSSMCTSA-N 1 2 341.455 3.633 20 0 EHADLO CC1(C)Cc2ccsc2CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000457301386 1035958545 /nfs/dbraw/zinc/95/85/45/1035958545.db2.gz CJSUTEAAYJSKJT-UHFFFAOYSA-N 1 2 337.448 3.911 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000188852990 1035989404 /nfs/dbraw/zinc/98/94/04/1035989404.db2.gz IBQMOJOIHYJFAV-UHFFFAOYSA-N 1 2 331.419 3.562 20 0 EHADLO CCN(CC(C)(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000463993562 1036023692 /nfs/dbraw/zinc/02/36/92/1036023692.db2.gz GLTQQCZQOHTTPU-UHFFFAOYSA-N 1 2 342.487 3.552 20 0 EHADLO CCN(CC(C)(C)C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000464033887 1036048399 /nfs/dbraw/zinc/04/83/99/1036048399.db2.gz CGACNAKUOWZCSO-UHFFFAOYSA-N 1 2 328.460 3.509 20 0 EHADLO CCn1c(C)nn(C[NH+]2CCC(C)(c3ccccc3)CC2)c1=S ZINC000156905463 1036068573 /nfs/dbraw/zinc/06/85/73/1036068573.db2.gz HOSFEKXRLSXWGT-UHFFFAOYSA-N 1 2 330.501 3.754 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCc1c(F)cccc1Cl)[C@@H]2C ZINC000189538581 1036084766 /nfs/dbraw/zinc/08/47/66/1036084766.db2.gz DVYMQMJRNMEZJX-GFCCVEGCSA-N 1 2 336.842 3.813 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCc1c(F)cccc1Cl)[C@@H]2C ZINC000189538581 1036084781 /nfs/dbraw/zinc/08/47/81/1036084781.db2.gz DVYMQMJRNMEZJX-GFCCVEGCSA-N 1 2 336.842 3.813 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535155099 1036116121 /nfs/dbraw/zinc/11/61/21/1036116121.db2.gz BBCNRCVEFJDOCZ-KNXALSJPSA-N 1 2 326.843 3.777 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535155099 1036116122 /nfs/dbraw/zinc/11/61/22/1036116122.db2.gz BBCNRCVEFJDOCZ-KNXALSJPSA-N 1 2 326.843 3.777 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000541277648 1036132052 /nfs/dbraw/zinc/13/20/52/1036132052.db2.gz BPEPLIGZCHHHCY-KSSFIOAISA-N 1 2 338.455 3.895 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000541277648 1036132061 /nfs/dbraw/zinc/13/20/61/1036132061.db2.gz BPEPLIGZCHHHCY-KSSFIOAISA-N 1 2 338.455 3.895 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CCCC(F)(F)F ZINC000492676673 1036164717 /nfs/dbraw/zinc/16/47/17/1036164717.db2.gz RVQQUQAJAHASNC-BXUZGUMPSA-N 1 2 335.341 3.621 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000170763379 1036206174 /nfs/dbraw/zinc/20/61/74/1036206174.db2.gz FVQRWRVOANQGIP-FOIQADDNSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000170763379 1036206193 /nfs/dbraw/zinc/20/61/93/1036206193.db2.gz FVQRWRVOANQGIP-FOIQADDNSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000170763377 1036208336 /nfs/dbraw/zinc/20/83/36/1036208336.db2.gz FVQRWRVOANQGIP-YWZLYKJASA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000170763377 1036208359 /nfs/dbraw/zinc/20/83/59/1036208359.db2.gz FVQRWRVOANQGIP-YWZLYKJASA-N 1 2 327.424 3.666 20 0 EHADLO COCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCC1 ZINC000457510494 1036214807 /nfs/dbraw/zinc/21/48/07/1036214807.db2.gz MAHJTTZKQGDHHP-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cc2ccccc2o1 ZINC000175179882 1036263298 /nfs/dbraw/zinc/26/32/98/1036263298.db2.gz PEBIQNRVKZSIFB-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cc2ccccc2o1 ZINC000175179882 1036263310 /nfs/dbraw/zinc/26/33/10/1036263310.db2.gz PEBIQNRVKZSIFB-UHFFFAOYSA-N 1 2 329.787 3.552 20 0 EHADLO CC(C)CO[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535286747 1036285706 /nfs/dbraw/zinc/28/57/06/1036285706.db2.gz BNHGMWPHYVWKOT-HNNXBMFYSA-N 1 2 339.439 3.601 20 0 EHADLO O=C(CC1CCCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175284952 1036312586 /nfs/dbraw/zinc/31/25/86/1036312586.db2.gz FICIINVDRPTCQF-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000414258124 1036314992 /nfs/dbraw/zinc/31/49/92/1036314992.db2.gz PBTFOINTDBLIPE-CYBMUJFWSA-N 1 2 325.334 3.745 20 0 EHADLO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 ZINC000498358185 1036330287 /nfs/dbraw/zinc/33/02/87/1036330287.db2.gz AIZQUBKPQAXFJN-UHFFFAOYSA-N 1 2 335.329 3.989 20 0 EHADLO COc1cc[nH+]c(Cn2c3ccccc3nc2C(F)(F)F)c1OC ZINC000191069282 1036333592 /nfs/dbraw/zinc/33/35/92/1036333592.db2.gz HRAVRJPTTWCJJL-UHFFFAOYSA-N 1 2 337.301 3.516 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000175375922 1036355757 /nfs/dbraw/zinc/35/57/57/1036355757.db2.gz YOBAFEUFYUJQRM-HOTGVXAUSA-N 1 2 340.471 3.981 20 0 EHADLO c1cn(-c2ccc(CN3CC4(CCOCC4)c4ccccc43)cc2)c[nH+]1 ZINC000191618898 1036400694 /nfs/dbraw/zinc/40/06/94/1036400694.db2.gz OYBVRTZVPNKZAP-UHFFFAOYSA-N 1 2 345.446 3.941 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)c1 ZINC000535380316 1036421972 /nfs/dbraw/zinc/42/19/72/1036421972.db2.gz IJFHREVHLZHHRD-SFHVURJKSA-N 1 2 349.377 3.740 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)c1 ZINC000535380316 1036421985 /nfs/dbraw/zinc/42/19/85/1036421985.db2.gz IJFHREVHLZHHRD-SFHVURJKSA-N 1 2 349.377 3.740 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000572647212 1036445512 /nfs/dbraw/zinc/44/55/12/1036445512.db2.gz DYDWJPHZCZKXNL-XUVXKRRUSA-N 1 2 345.446 3.912 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ncccn2)cc(C)c1OCC(F)(F)F ZINC000191956120 1036448910 /nfs/dbraw/zinc/44/89/10/1036448910.db2.gz QVIUONPSXRPXFA-UHFFFAOYSA-N 1 2 339.361 3.667 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ncccn2)cc(C)c1OCC(F)(F)F ZINC000191956120 1036448916 /nfs/dbraw/zinc/44/89/16/1036448916.db2.gz QVIUONPSXRPXFA-UHFFFAOYSA-N 1 2 339.361 3.667 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@H+](Cc3ncccn3)C2)cc1Cl ZINC000192065525 1036463461 /nfs/dbraw/zinc/46/34/61/1036463461.db2.gz NLBBZVMYYDJBRU-CYBMUJFWSA-N 1 2 338.238 3.827 20 0 EHADLO Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1Cl ZINC000192065525 1036463469 /nfs/dbraw/zinc/46/34/69/1036463469.db2.gz NLBBZVMYYDJBRU-CYBMUJFWSA-N 1 2 338.238 3.827 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCc1ccncc1 ZINC000192142069 1036478975 /nfs/dbraw/zinc/47/89/75/1036478975.db2.gz GFDOCYXZWVYOGY-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCc1ccncc1 ZINC000192142069 1036478986 /nfs/dbraw/zinc/47/89/86/1036478986.db2.gz GFDOCYXZWVYOGY-KRWDZBQOSA-N 1 2 332.831 3.514 20 0 EHADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2ncccn2)cc1 ZINC000192153957 1036481784 /nfs/dbraw/zinc/48/17/84/1036481784.db2.gz NTBYKWQDQGUJOB-IBGZPJMESA-N 1 2 337.398 3.698 20 0 EHADLO CC(C)n1nccc1CNc1[nH+]c2cc(Cl)c(Cl)cc2n1C ZINC000414293431 1036492801 /nfs/dbraw/zinc/49/28/01/1036492801.db2.gz CTAVNPGYZQQDOG-UHFFFAOYSA-N 1 2 338.242 3.692 20 0 EHADLO CC(C)c1c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cnn1-c1ccccc1 ZINC000572853647 1036536259 /nfs/dbraw/zinc/53/62/59/1036536259.db2.gz JTXFDGLSJUQCPB-CQSZACIVSA-N 1 2 337.427 3.536 20 0 EHADLO CC(C)c1c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cnn1-c1ccccc1 ZINC000572853647 1036536264 /nfs/dbraw/zinc/53/62/64/1036536264.db2.gz JTXFDGLSJUQCPB-CQSZACIVSA-N 1 2 337.427 3.536 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926583 1036536642 /nfs/dbraw/zinc/53/66/42/1036536642.db2.gz OIZLPPMHNJPMDA-SUMWQHHRSA-N 1 2 344.480 3.697 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926583 1036536647 /nfs/dbraw/zinc/53/66/47/1036536647.db2.gz OIZLPPMHNJPMDA-SUMWQHHRSA-N 1 2 344.480 3.697 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000572878893 1036541136 /nfs/dbraw/zinc/54/11/36/1036541136.db2.gz HWMZOXBDZNGOTK-CVEARBPZSA-N 1 2 345.361 3.528 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000572878893 1036541143 /nfs/dbraw/zinc/54/11/43/1036541143.db2.gz HWMZOXBDZNGOTK-CVEARBPZSA-N 1 2 345.361 3.528 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997706 1036571893 /nfs/dbraw/zinc/57/18/93/1036571893.db2.gz HACXSIFGDQVMEW-AWEZNQCLSA-N 1 2 349.409 3.913 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997706 1036571908 /nfs/dbraw/zinc/57/19/08/1036571908.db2.gz HACXSIFGDQVMEW-AWEZNQCLSA-N 1 2 349.409 3.913 20 0 EHADLO CCOC(=O)[C@H]([NH2+]Cc1c(C)ccc2ccccc21)C1CCOCC1 ZINC000541700980 1036578202 /nfs/dbraw/zinc/57/82/02/1036578202.db2.gz IAGZICDUBRBEFV-HXUWFJFHSA-N 1 2 341.451 3.596 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000464585633 1036579280 /nfs/dbraw/zinc/57/92/80/1036579280.db2.gz NEDQUHFIHWLCTR-LJQANCHMSA-N 1 2 345.512 3.915 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(Cl)s1 ZINC000302589070 1036643169 /nfs/dbraw/zinc/64/31/69/1036643169.db2.gz HIPDCXKQYYZQHV-GXTWGEPZSA-N 1 2 328.909 3.918 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(Cl)s1 ZINC000302589070 1036643180 /nfs/dbraw/zinc/64/31/80/1036643180.db2.gz HIPDCXKQYYZQHV-GXTWGEPZSA-N 1 2 328.909 3.918 20 0 EHADLO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000464683282 1036657622 /nfs/dbraw/zinc/65/76/22/1036657622.db2.gz UYLWWEIYSNIXMV-QGZVFWFLSA-N 1 2 327.476 3.889 20 0 EHADLO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000464683282 1036657631 /nfs/dbraw/zinc/65/76/31/1036657631.db2.gz UYLWWEIYSNIXMV-QGZVFWFLSA-N 1 2 327.476 3.889 20 0 EHADLO O=C(/C=C\c1nc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491250372 1036658128 /nfs/dbraw/zinc/65/81/28/1036658128.db2.gz RIFQCKLWVDUKFV-FPLPWBNLSA-N 1 2 348.337 3.805 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000589940562 1036686763 /nfs/dbraw/zinc/68/67/63/1036686763.db2.gz VZNUXNPOULPFLR-MRXNPFEDSA-N 1 2 342.508 3.758 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000493128377 1036749052 /nfs/dbraw/zinc/74/90/52/1036749052.db2.gz KKOKSWPXVLBZFD-YSNSSQLXSA-N 1 2 335.329 3.504 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3scnc3-c3ccccc3)[nH+]c12 ZINC000590227016 1036815624 /nfs/dbraw/zinc/81/56/24/1036815624.db2.gz IRAGJOVZJDPFBR-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CC[N@H+](Cc1nc(Br)cs1)Cc1ccc(OC)cc1 ZINC001137782037 1036862508 /nfs/dbraw/zinc/86/25/08/1036862508.db2.gz AARMAYGRDGRDNE-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CC[N@@H+](Cc1nc(Br)cs1)Cc1ccc(OC)cc1 ZINC001137782037 1036862522 /nfs/dbraw/zinc/86/25/22/1036862522.db2.gz AARMAYGRDGRDNE-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CC[NH+](CC)[C@H](CNc1nc(-c2ccccc2)ns1)c1ccco1 ZINC000462380202 1036902904 /nfs/dbraw/zinc/90/29/04/1036902904.db2.gz VKTJJHSSLGQALZ-OAHLLOKOSA-N 1 2 342.468 3.715 20 0 EHADLO C[C@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103412032 1036906157 /nfs/dbraw/zinc/90/61/57/1036906157.db2.gz ROUFKBBQVUYUKR-HNNXBMFYSA-N 1 2 326.465 3.646 20 0 EHADLO C[C@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103412032 1036906178 /nfs/dbraw/zinc/90/61/78/1036906178.db2.gz ROUFKBBQVUYUKR-HNNXBMFYSA-N 1 2 326.465 3.646 20 0 EHADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541985972 1036927077 /nfs/dbraw/zinc/92/70/77/1036927077.db2.gz ZCASEHXXIXFCRZ-MRXNPFEDSA-N 1 2 339.357 3.746 20 0 EHADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000541985972 1036927087 /nfs/dbraw/zinc/92/70/87/1036927087.db2.gz ZCASEHXXIXFCRZ-MRXNPFEDSA-N 1 2 339.357 3.746 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1F ZINC000464887512 1036956211 /nfs/dbraw/zinc/95/62/11/1036956211.db2.gz NKOGXWFXSJYCNL-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1F ZINC000464887512 1036956225 /nfs/dbraw/zinc/95/62/25/1036956225.db2.gz NKOGXWFXSJYCNL-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(C)n1C1CC1 ZINC000653815088 1036975646 /nfs/dbraw/zinc/97/56/46/1036975646.db2.gz FXCIZPFDXFFIBH-SFHVURJKSA-N 1 2 330.472 3.656 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c(C)n1C1CC1 ZINC000653815088 1036975663 /nfs/dbraw/zinc/97/56/63/1036975663.db2.gz FXCIZPFDXFFIBH-SFHVURJKSA-N 1 2 330.472 3.656 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000590627208 1036978236 /nfs/dbraw/zinc/97/82/36/1036978236.db2.gz BXKPQQIWCMWUKH-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000590627208 1036978254 /nfs/dbraw/zinc/97/82/54/1036978254.db2.gz BXKPQQIWCMWUKH-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590726283 1037006006 /nfs/dbraw/zinc/00/60/06/1037006006.db2.gz BEZCKVCPFHBALY-HNNXBMFYSA-N 1 2 329.469 3.861 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590726997 1037007894 /nfs/dbraw/zinc/00/78/94/1037007894.db2.gz HLSRKPJYUQOYMS-OAHLLOKOSA-N 1 2 347.846 3.559 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CCCC2)c1 ZINC000590726584 1037009065 /nfs/dbraw/zinc/00/90/65/1037009065.db2.gz FNXBRPHHKWRQTK-LJQANCHMSA-N 1 2 337.467 3.867 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)c2ccc(F)cc2O1 ZINC000655747634 1037011952 /nfs/dbraw/zinc/01/19/52/1037011952.db2.gz IFWRFGMLUMCFEY-QGZVFWFLSA-N 1 2 329.419 3.751 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000178354850 1037027011 /nfs/dbraw/zinc/02/70/11/1037027011.db2.gz PRCMMZVYEGMWKR-WOJBJXKFSA-N 1 2 341.414 3.907 20 0 EHADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(c2cccc(Cl)c2)CCC1 ZINC000590733374 1037034650 /nfs/dbraw/zinc/03/46/50/1037034650.db2.gz UPLNLOWPZFUJMS-KRWDZBQOSA-N 1 2 343.858 3.822 20 0 EHADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590734137 1037035091 /nfs/dbraw/zinc/03/50/91/1037035091.db2.gz TXOLALCEIKANQF-MRXNPFEDSA-N 1 2 348.450 3.721 20 0 EHADLO CCc1ncc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000414369305 1037044890 /nfs/dbraw/zinc/04/48/90/1037044890.db2.gz UREJJHINPFEFSB-UHFFFAOYSA-N 1 2 331.423 3.566 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000462521564 1037073583 /nfs/dbraw/zinc/07/35/83/1037073583.db2.gz PRKCVQHWRAGMCU-HNNXBMFYSA-N 1 2 335.517 3.717 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000186870517 1037073966 /nfs/dbraw/zinc/07/39/66/1037073966.db2.gz PZINEDHABWRSQC-ROUUACIJSA-N 1 2 334.410 3.717 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000186870517 1037073983 /nfs/dbraw/zinc/07/39/83/1037073983.db2.gz PZINEDHABWRSQC-ROUUACIJSA-N 1 2 334.410 3.717 20 0 EHADLO Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590869321 1037105983 /nfs/dbraw/zinc/10/59/83/1037105983.db2.gz QLZKOVQHZVYNCE-QGZVFWFLSA-N 1 2 340.471 3.516 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)ccn12 ZINC001127238209 1037112151 /nfs/dbraw/zinc/11/21/51/1037112151.db2.gz KWEMQYITGQIJCY-IBGZPJMESA-N 1 2 337.398 3.971 20 0 EHADLO CC(C)c1csc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)n1 ZINC000414384092 1037185287 /nfs/dbraw/zinc/18/52/87/1037185287.db2.gz UVDLBJUNZSFSNY-UHFFFAOYSA-N 1 2 326.368 3.878 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)o1 ZINC000591091274 1037216727 /nfs/dbraw/zinc/21/67/27/1037216727.db2.gz VKWSOXAKTNIGRZ-NVXWUHKLSA-N 1 2 341.455 3.739 20 0 EHADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000462645259 1037226848 /nfs/dbraw/zinc/22/68/48/1037226848.db2.gz YQXQZDGYLFGMGX-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO Cc1ccc(NCc2nccc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001167704493 1037259222 /nfs/dbraw/zinc/25/92/22/1037259222.db2.gz TZSRSYOLOODOKL-UHFFFAOYSA-N 1 2 347.462 3.988 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)n1 ZINC000376502862 1037308255 /nfs/dbraw/zinc/30/82/55/1037308255.db2.gz RBTHLCLAHJGPKI-HNAYVOBHSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)n1 ZINC000376502862 1037308275 /nfs/dbraw/zinc/30/82/75/1037308275.db2.gz RBTHLCLAHJGPKI-HNAYVOBHSA-N 1 2 348.450 3.947 20 0 EHADLO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)CCC2 ZINC000532453519 1037324347 /nfs/dbraw/zinc/32/43/47/1037324347.db2.gz XSTKMVUEAMTDPG-DLBZAZTESA-N 1 2 338.480 3.942 20 0 EHADLO COC(=O)c1sccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000088499280 1037334156 /nfs/dbraw/zinc/33/41/56/1037334156.db2.gz MIQQFPDBHQVWJI-UHFFFAOYSA-N 1 2 331.437 3.578 20 0 EHADLO Cn1cc2cccc(CNc3cccc(Cc4ccncc4)[nH+]3)c2n1 ZINC001168198120 1037341185 /nfs/dbraw/zinc/34/11/85/1037341185.db2.gz VMPGHZWQRBFKGH-UHFFFAOYSA-N 1 2 329.407 3.566 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000573169373 1037359867 /nfs/dbraw/zinc/35/98/67/1037359867.db2.gz BZJHQVOGZRCJLA-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000573169373 1037359884 /nfs/dbraw/zinc/35/98/84/1037359884.db2.gz BZJHQVOGZRCJLA-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO Fc1ccc(F)c(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301216125 1037368536 /nfs/dbraw/zinc/36/85/36/1037368536.db2.gz YDGZFRIYLSDOKO-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C(C)C ZINC000591420276 1037394333 /nfs/dbraw/zinc/39/43/33/1037394333.db2.gz VDLSKRZZKLZHQW-WUQYLLKWSA-N 1 2 328.500 3.916 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591456167 1037414218 /nfs/dbraw/zinc/41/42/18/1037414218.db2.gz AQSOYMJGFYZVIL-QGZVFWFLSA-N 1 2 341.455 3.624 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1csc(-c2ccccc2F)n1 ZINC000462812652 1037416608 /nfs/dbraw/zinc/41/66/08/1037416608.db2.gz ODDYIUNWBSLCRA-NSHDSACASA-N 1 2 335.448 3.515 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccc(F)cc1Cl ZINC000177200173 1037418517 /nfs/dbraw/zinc/41/85/17/1037418517.db2.gz MPEFZJMNZSUUHG-GJZGRUSLSA-N 1 2 342.867 3.778 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccc(F)cc1Cl ZINC000177200173 1037418529 /nfs/dbraw/zinc/41/85/29/1037418529.db2.gz MPEFZJMNZSUUHG-GJZGRUSLSA-N 1 2 342.867 3.778 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462800535 1037418886 /nfs/dbraw/zinc/41/88/86/1037418886.db2.gz FYMILZQZXYRDMD-LBPRGKRZSA-N 1 2 347.256 3.762 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462800535 1037418890 /nfs/dbraw/zinc/41/88/90/1037418890.db2.gz FYMILZQZXYRDMD-LBPRGKRZSA-N 1 2 347.256 3.762 20 0 EHADLO O=C(/C=C/c1ccc(C2CC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000493532315 1037428864 /nfs/dbraw/zinc/42/88/64/1037428864.db2.gz XBURXRHAXLYINT-IZZDOVSWSA-N 1 2 347.462 3.757 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152636121 1037429415 /nfs/dbraw/zinc/42/94/15/1037429415.db2.gz FSQGTCPKJIUNGD-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO Cc1cccc(C2=CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC000539980165 1037437111 /nfs/dbraw/zinc/43/71/11/1037437111.db2.gz ZGUVZZFOXPHYLZ-UHFFFAOYSA-N 1 2 345.446 3.810 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nc(Cl)ccc1Cl ZINC000029914251 1037445274 /nfs/dbraw/zinc/44/52/74/1037445274.db2.gz DHEAAZRRZHBLES-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cncc1Cl ZINC000431831724 1037448289 /nfs/dbraw/zinc/44/82/89/1037448289.db2.gz DLCHKWYHIQWKRI-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CCCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491476714 1037493827 /nfs/dbraw/zinc/49/38/27/1037493827.db2.gz BGYNGMYSJSNCQZ-JEZWAEDTSA-N 1 2 339.439 3.618 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000493621118 1037496883 /nfs/dbraw/zinc/49/68/83/1037496883.db2.gz KNICAFMDMIGGAK-JZHDPFOFSA-N 1 2 349.478 3.947 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537879 1037504683 /nfs/dbraw/zinc/50/46/83/1037504683.db2.gz DBCLBPAYWZBLEF-JKSUJKDBSA-N 1 2 337.464 3.511 20 0 EHADLO CC(C)CCOCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537879 1037504694 /nfs/dbraw/zinc/50/46/94/1037504694.db2.gz DBCLBPAYWZBLEF-JKSUJKDBSA-N 1 2 337.464 3.511 20 0 EHADLO Cc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)c(N(C)C)[nH+]1 ZINC000152689545 1037553592 /nfs/dbraw/zinc/55/35/92/1037553592.db2.gz WWUDEAHLYFVQFM-UHFFFAOYSA-N 1 2 338.386 3.704 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000347371466 1037565444 /nfs/dbraw/zinc/56/54/44/1037565444.db2.gz BTUOYKVULLIXGI-CVEARBPZSA-N 1 2 347.256 3.751 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000347371466 1037565459 /nfs/dbraw/zinc/56/54/59/1037565459.db2.gz BTUOYKVULLIXGI-CVEARBPZSA-N 1 2 347.256 3.751 20 0 EHADLO Cc1cccc(Cl)c1C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC001168207574 1037592108 /nfs/dbraw/zinc/59/21/08/1037592108.db2.gz BTYAXCMROGRONJ-UHFFFAOYSA-N 1 2 337.920 3.647 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000107238332 1037624355 /nfs/dbraw/zinc/62/43/55/1037624355.db2.gz OEOZVAWAGWZXQL-DLBZAZTESA-N 1 2 329.831 3.504 20 0 EHADLO O=C(/C=C\c1cncs1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000493807047 1037645705 /nfs/dbraw/zinc/64/57/05/1037645705.db2.gz XNCABCYCYJXBGT-RQOWECAXSA-N 1 2 330.800 3.634 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811107 1037651968 /nfs/dbraw/zinc/65/19/68/1037651968.db2.gz OBEAHHQEGRFXEI-HNAYVOBHSA-N 1 2 349.434 3.860 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811107 1037651977 /nfs/dbraw/zinc/65/19/77/1037651977.db2.gz OBEAHHQEGRFXEI-HNAYVOBHSA-N 1 2 349.434 3.860 20 0 EHADLO Cc1nn(C[N@H+](C)CC2CCCC2)c(=S)n1Cc1ccccc1 ZINC000058207603 1037653837 /nfs/dbraw/zinc/65/38/37/1037653837.db2.gz QSQZRYYXONTYIR-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO Cc1nn(C[N@@H+](C)CC2CCCC2)c(=S)n1Cc1ccccc1 ZINC000058207603 1037653843 /nfs/dbraw/zinc/65/38/43/1037653843.db2.gz QSQZRYYXONTYIR-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000573623997 1037665430 /nfs/dbraw/zinc/66/54/30/1037665430.db2.gz RNKSFUGHSLJYBT-ZDUSSCGKSA-N 1 2 347.409 3.838 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000573623997 1037665439 /nfs/dbraw/zinc/66/54/39/1037665439.db2.gz RNKSFUGHSLJYBT-ZDUSSCGKSA-N 1 2 347.409 3.838 20 0 EHADLO COc1cccc2c(NCc3cccnc3-n3ccnc3)c(C)c[nH+]c12 ZINC000378030781 1037708351 /nfs/dbraw/zinc/70/83/51/1037708351.db2.gz YSBYSBWXVURDGD-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccccc1 ZINC000029277794 1037714940 /nfs/dbraw/zinc/71/49/40/1037714940.db2.gz MSDCGBLPTKYIRU-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000111311754 1037734468 /nfs/dbraw/zinc/73/44/68/1037734468.db2.gz AGZWJNCBAZALBI-LBPRGKRZSA-N 1 2 330.413 3.604 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000111311754 1037734489 /nfs/dbraw/zinc/73/44/89/1037734489.db2.gz AGZWJNCBAZALBI-LBPRGKRZSA-N 1 2 330.413 3.604 20 0 EHADLO C[C@@H](CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)Oc1cccc(F)c1 ZINC000463070652 1037736676 /nfs/dbraw/zinc/73/66/76/1037736676.db2.gz OUWABMNSPXLDQB-CABCVRRESA-N 1 2 344.434 3.731 20 0 EHADLO C[C@@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)Oc1cccc(F)c1 ZINC000463070652 1037736686 /nfs/dbraw/zinc/73/66/86/1037736686.db2.gz OUWABMNSPXLDQB-CABCVRRESA-N 1 2 344.434 3.731 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000491861187 1037739341 /nfs/dbraw/zinc/73/93/41/1037739341.db2.gz XZCKUNSDSICCQR-ZFWWWQNUSA-N 1 2 337.464 3.505 20 0 EHADLO CCc1cnc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000491861187 1037739363 /nfs/dbraw/zinc/73/93/63/1037739363.db2.gz XZCKUNSDSICCQR-ZFWWWQNUSA-N 1 2 337.464 3.505 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc2occc2[nH]1 ZINC000151869070 1037777141 /nfs/dbraw/zinc/77/71/41/1037777141.db2.gz RGVCLRRGSSFFNR-UHFFFAOYSA-N 1 2 326.743 3.852 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000540337992 1037810643 /nfs/dbraw/zinc/81/06/43/1037810643.db2.gz IHHCOXADPDQJLU-INIZCTEOSA-N 1 2 349.471 3.991 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000540337992 1037810683 /nfs/dbraw/zinc/81/06/83/1037810683.db2.gz IHHCOXADPDQJLU-INIZCTEOSA-N 1 2 349.471 3.991 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494096677 1037816725 /nfs/dbraw/zinc/81/67/25/1037816725.db2.gz NXGZNMLQERKOME-HZPDHXFCSA-N 1 2 338.442 3.899 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494096677 1037816745 /nfs/dbraw/zinc/81/67/45/1037816745.db2.gz NXGZNMLQERKOME-HZPDHXFCSA-N 1 2 338.442 3.899 20 0 EHADLO Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463158173 1037829122 /nfs/dbraw/zinc/82/91/22/1037829122.db2.gz CSICHLZGTHHSIQ-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000540349549 1037835534 /nfs/dbraw/zinc/83/55/34/1037835534.db2.gz YGAKPIABRWMDAH-YLJYHZDGSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000540349549 1037835552 /nfs/dbraw/zinc/83/55/52/1037835552.db2.gz YGAKPIABRWMDAH-YLJYHZDGSA-N 1 2 343.492 3.852 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000378081072 1037856916 /nfs/dbraw/zinc/85/69/16/1037856916.db2.gz WPFVOPOOHBHJAX-HNAYVOBHSA-N 1 2 325.456 3.946 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000378081072 1037856931 /nfs/dbraw/zinc/85/69/31/1037856931.db2.gz WPFVOPOOHBHJAX-HNAYVOBHSA-N 1 2 325.456 3.946 20 0 EHADLO COc1ccc([C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000117640049 1037857892 /nfs/dbraw/zinc/85/78/92/1037857892.db2.gz IGHPSBPNKQTWQT-SFHVURJKSA-N 1 2 347.418 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C\c2ccccc2-n2cccn2)c(C)[nH+]1 ZINC000492031376 1037888259 /nfs/dbraw/zinc/88/82/59/1037888259.db2.gz LGXVQACDRPSIDZ-KTKRTIGZSA-N 1 2 332.407 3.844 20 0 EHADLO Cc1cccc2ncc(C[NH2+]C(C)(C)c3cc(C(F)(F)F)on3)n21 ZINC000492038454 1037915279 /nfs/dbraw/zinc/91/52/79/1037915279.db2.gz AJOUECZIKDUCKF-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)n1 ZINC000540418731 1037922198 /nfs/dbraw/zinc/92/21/98/1037922198.db2.gz LPFCCWLHRGXFTR-LJQANCHMSA-N 1 2 349.434 3.655 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c[nH+]1 ZINC000454173847 1037923391 /nfs/dbraw/zinc/92/33/91/1037923391.db2.gz OOULRTLQWLAPHA-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(C)cc3)CCC2)s1 ZINC000592400823 1037941241 /nfs/dbraw/zinc/94/12/41/1037941241.db2.gz WHTOJXCKWKZOOA-ZDUSSCGKSA-N 1 2 330.453 3.968 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000120754868 1037943369 /nfs/dbraw/zinc/94/33/69/1037943369.db2.gz ZLLAEFZHGZHIAF-GSXXRBPTSA-N 1 2 337.467 3.695 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)sc1C ZINC000173183501 1037965048 /nfs/dbraw/zinc/96/50/48/1037965048.db2.gz JENBVSORZVKOLE-UHFFFAOYSA-N 1 2 333.476 3.607 20 0 EHADLO Cc1nc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)sc1C ZINC000173183501 1037965068 /nfs/dbraw/zinc/96/50/68/1037965068.db2.gz JENBVSORZVKOLE-UHFFFAOYSA-N 1 2 333.476 3.607 20 0 EHADLO CC(C)(CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)CC(F)(F)F ZINC000913817229 1037972169 /nfs/dbraw/zinc/97/21/69/1037972169.db2.gz LYEZFAOQFLNCIC-AWEZNQCLSA-N 1 2 346.368 3.667 20 0 EHADLO Cc1c[nH+]c(CCSCc2nn(C)cc2Br)c(C)c1 ZINC000592455686 1037989123 /nfs/dbraw/zinc/98/91/23/1037989123.db2.gz MJLZLDHBBOKMQE-UHFFFAOYSA-N 1 2 340.290 3.670 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000416083762 1038042287 /nfs/dbraw/zinc/04/22/87/1038042287.db2.gz VTYDKCNUHBJKDX-JXXFODFXSA-N 1 2 349.478 3.909 20 0 EHADLO CC[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123824966 1038086895 /nfs/dbraw/zinc/08/68/95/1038086895.db2.gz BGSYDMURSONINJ-CRAIPNDOSA-N 1 2 343.446 3.534 20 0 EHADLO Cc1cc(Cl)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000123912809 1038102336 /nfs/dbraw/zinc/10/23/36/1038102336.db2.gz QMPYDOYCTZGVBG-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CC(C)[C@@H](N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000538582016 1038402799 /nfs/dbraw/zinc/40/27/99/1038402799.db2.gz XFOWUMSVQKASRI-CRAIPNDOSA-N 1 2 343.471 3.889 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)c(C)[nH+]1 ZINC000667119137 1038457564 /nfs/dbraw/zinc/45/75/64/1038457564.db2.gz JXRVBZSTYLAMEG-RBUKOAKNSA-N 1 2 341.455 3.887 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1csc(-c2cccc3ccccc32)n1 ZINC000538692328 1038469503 /nfs/dbraw/zinc/46/95/03/1038469503.db2.gz YUUCRIAAVJKYFY-UHFFFAOYSA-N 1 2 348.431 3.590 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)n1 ZINC000538713124 1038484617 /nfs/dbraw/zinc/48/46/17/1038484617.db2.gz YVIBTYHWYXAPDZ-ZDUSSCGKSA-N 1 2 347.484 3.880 20 0 EHADLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H]1CCCSC1 ZINC000538861354 1038571152 /nfs/dbraw/zinc/57/11/52/1038571152.db2.gz JTDNPZCIPIVJFK-AWEZNQCLSA-N 1 2 336.501 3.618 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC2(C1)CCCCC2 ZINC000667173549 1038621490 /nfs/dbraw/zinc/62/14/90/1038621490.db2.gz LDJQTGHYYXVAJG-UHFFFAOYSA-N 1 2 341.430 3.988 20 0 EHADLO CSc1ccc(C)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000378446118 1038627091 /nfs/dbraw/zinc/62/70/91/1038627091.db2.gz XAQDHPQJSWPNPI-UHFFFAOYSA-N 1 2 344.484 3.614 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000539320646 1038772295 /nfs/dbraw/zinc/77/22/95/1038772295.db2.gz SQVUBMBGWWTBSL-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651537 1038830586 /nfs/dbraw/zinc/83/05/86/1038830586.db2.gz YPBDGHHMDRJIKP-SJCJKPOMSA-N 1 2 345.468 3.693 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651537 1038830611 /nfs/dbraw/zinc/83/06/11/1038830611.db2.gz YPBDGHHMDRJIKP-SJCJKPOMSA-N 1 2 345.468 3.693 20 0 EHADLO Cc1c2ccccc2[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(=O)[O-] ZINC000910336570 1038836618 /nfs/dbraw/zinc/83/66/18/1038836618.db2.gz OAEDJCDTMZHUKE-UHFFFAOYSA-N 1 2 341.455 3.963 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(SC)oc2C)c1C ZINC000667576296 1038889632 /nfs/dbraw/zinc/88/96/32/1038889632.db2.gz IGCRNLXUEZRCKG-UHFFFAOYSA-N 1 2 334.441 3.603 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668824010 1038893518 /nfs/dbraw/zinc/89/35/18/1038893518.db2.gz DHEPFXIOAHLBID-MRXNPFEDSA-N 1 2 341.789 3.586 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668824010 1038893543 /nfs/dbraw/zinc/89/35/43/1038893543.db2.gz DHEPFXIOAHLBID-MRXNPFEDSA-N 1 2 341.789 3.586 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000668824198 1038894160 /nfs/dbraw/zinc/89/41/60/1038894160.db2.gz OPXHIVMJZFXBFJ-YJYMSZOUSA-N 1 2 349.425 3.734 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000668824198 1038894173 /nfs/dbraw/zinc/89/41/73/1038894173.db2.gz OPXHIVMJZFXBFJ-YJYMSZOUSA-N 1 2 349.425 3.734 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCc3cc(F)ccc32)c1C ZINC000667576842 1038899834 /nfs/dbraw/zinc/89/98/34/1038899834.db2.gz XHCNTADNZYYSJZ-QGZVFWFLSA-N 1 2 342.414 3.535 20 0 EHADLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1c(F)cccc1F ZINC000007788122 1038936915 /nfs/dbraw/zinc/93/69/15/1038936915.db2.gz LGYBBESPSGMMRU-UHFFFAOYSA-N 1 2 344.405 3.858 20 0 EHADLO COC(=O)c1coc(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000338734705 1039003290 /nfs/dbraw/zinc/00/32/90/1039003290.db2.gz OVGRIEWBZLOUEG-SJCJKPOMSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1coc(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000338734705 1039003299 /nfs/dbraw/zinc/00/32/99/1039003299.db2.gz OVGRIEWBZLOUEG-SJCJKPOMSA-N 1 2 329.396 3.947 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112865943 1039035742 /nfs/dbraw/zinc/03/57/42/1039035742.db2.gz BIJFWGTYSWHVHJ-HUUCEWRRSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC(C)(C)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000416800124 1039044622 /nfs/dbraw/zinc/04/46/22/1039044622.db2.gz FJSFOAKHRXLJFF-JKSUJKDBSA-N 1 2 345.487 3.732 20 0 EHADLO CC[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)CC(F)(F)F ZINC000416792100 1039046933 /nfs/dbraw/zinc/04/69/33/1039046933.db2.gz KWPDCONFNCEFEM-LLVKDONJSA-N 1 2 328.338 3.743 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](C)C1CCCCC1 ZINC000155632942 1039093531 /nfs/dbraw/zinc/09/35/31/1039093531.db2.gz HTBACGKMWDTFDK-OAHLLOKOSA-N 1 2 345.487 3.772 20 0 EHADLO O=C(CCCC1CCOCC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229434 1039096590 /nfs/dbraw/zinc/09/65/90/1039096590.db2.gz FISWIOJCSUCKFZ-IYARVYRRSA-N 1 2 345.487 3.518 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000478016704 1039123224 /nfs/dbraw/zinc/12/32/24/1039123224.db2.gz LROXJACAOJMZNH-CYBMUJFWSA-N 1 2 339.370 3.930 20 0 EHADLO COc1ncccc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000488407217 1039141166 /nfs/dbraw/zinc/14/11/66/1039141166.db2.gz MICXMDVOROJABS-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ncccc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000488407217 1039141174 /nfs/dbraw/zinc/14/11/74/1039141174.db2.gz MICXMDVOROJABS-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000432790279 1039197046 /nfs/dbraw/zinc/19/70/46/1039197046.db2.gz BPTMGBWNJAQORM-UHFFFAOYSA-N 1 2 339.483 3.955 20 0 EHADLO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000432790279 1039197066 /nfs/dbraw/zinc/19/70/66/1039197066.db2.gz BPTMGBWNJAQORM-UHFFFAOYSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)o1 ZINC000660121526 1039246799 /nfs/dbraw/zinc/24/67/99/1039246799.db2.gz NWXLXGVQRJNVAP-UHFFFAOYSA-N 1 2 339.361 3.632 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000552414936 1039268526 /nfs/dbraw/zinc/26/85/26/1039268526.db2.gz IJEAMAAVZACEGG-UHFFFAOYSA-N 1 2 347.890 3.765 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000552414936 1039268540 /nfs/dbraw/zinc/26/85/40/1039268540.db2.gz IJEAMAAVZACEGG-UHFFFAOYSA-N 1 2 347.890 3.765 20 0 EHADLO CCOc1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C)c1 ZINC000667637310 1039276627 /nfs/dbraw/zinc/27/66/27/1039276627.db2.gz PMMIARUTHFLPHF-SFHVURJKSA-N 1 2 339.483 3.668 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000898582700 1039290657 /nfs/dbraw/zinc/29/06/57/1039290657.db2.gz BVIOODHOFDBCMM-UHFFFAOYSA-N 1 2 340.418 3.514 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000898582700 1039290665 /nfs/dbraw/zinc/29/06/65/1039290665.db2.gz BVIOODHOFDBCMM-UHFFFAOYSA-N 1 2 340.418 3.514 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000439001951 1039294596 /nfs/dbraw/zinc/29/45/96/1039294596.db2.gz DEVCOAHDIPKTTQ-IBGZPJMESA-N 1 2 335.455 3.882 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000439001951 1039294610 /nfs/dbraw/zinc/29/46/10/1039294610.db2.gz DEVCOAHDIPKTTQ-IBGZPJMESA-N 1 2 335.455 3.882 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000348582552 1039302095 /nfs/dbraw/zinc/30/20/95/1039302095.db2.gz VTAKLBKJSIHTFG-GOSISDBHSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000348582552 1039302111 /nfs/dbraw/zinc/30/21/11/1039302111.db2.gz VTAKLBKJSIHTFG-GOSISDBHSA-N 1 2 343.858 3.671 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)C)c(C)c1 ZINC000429826075 1039316791 /nfs/dbraw/zinc/31/67/91/1039316791.db2.gz JELWVVQLALPHAI-GOSISDBHSA-N 1 2 328.460 3.539 20 0 EHADLO CC[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Oc1ccccc1C ZINC000488662662 1039321230 /nfs/dbraw/zinc/32/12/30/1039321230.db2.gz PGMLNWBLUCJLON-LJQANCHMSA-N 1 2 349.434 3.768 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCc1ccsc1 ZINC000760630336 1039354680 /nfs/dbraw/zinc/35/46/80/1039354680.db2.gz XLJPHDBEFCQECH-UHFFFAOYSA-N 1 2 333.501 3.769 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(C)c1 ZINC000186432649 1039365301 /nfs/dbraw/zinc/36/53/01/1039365301.db2.gz AKCULNZFCVTOMK-MRXNPFEDSA-N 1 2 336.439 3.851 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)o1 ZINC000485703518 1039429551 /nfs/dbraw/zinc/42/95/51/1039429551.db2.gz GXQSHTNJWDCIDW-QGZVFWFLSA-N 1 2 345.414 3.713 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)o1 ZINC000485703518 1039429568 /nfs/dbraw/zinc/42/95/68/1039429568.db2.gz GXQSHTNJWDCIDW-QGZVFWFLSA-N 1 2 345.414 3.713 20 0 EHADLO CCCC[N@H+](Cc1cn(CCC(C)=O)nn1)[C@H](C)c1ccccc1 ZINC000906261524 1039444445 /nfs/dbraw/zinc/44/44/45/1039444445.db2.gz LALCBZPIOGPXJC-QGZVFWFLSA-N 1 2 328.460 3.621 20 0 EHADLO CCCC[N@@H+](Cc1cn(CCC(C)=O)nn1)[C@H](C)c1ccccc1 ZINC000906261524 1039444456 /nfs/dbraw/zinc/44/44/56/1039444456.db2.gz LALCBZPIOGPXJC-QGZVFWFLSA-N 1 2 328.460 3.621 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2)c1 ZINC000668883456 1039449111 /nfs/dbraw/zinc/44/91/11/1039449111.db2.gz LBDGPMWLJWRRDE-WOJBJXKFSA-N 1 2 345.446 3.815 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429587703 1039450214 /nfs/dbraw/zinc/45/02/14/1039450214.db2.gz FSYNAKXNECGQHY-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429587703 1039450223 /nfs/dbraw/zinc/45/02/23/1039450223.db2.gz FSYNAKXNECGQHY-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000554543798 1039464548 /nfs/dbraw/zinc/46/45/48/1039464548.db2.gz LHJFJOIYCZUQSD-MRXNPFEDSA-N 1 2 349.438 3.560 20 0 EHADLO Fc1cccc(F)c1C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000485724071 1039464719 /nfs/dbraw/zinc/46/47/19/1039464719.db2.gz JVJXZOWWJVOJHN-UHFFFAOYSA-N 1 2 327.378 3.992 20 0 EHADLO Clc1cc2[nH]c(=NCc3ccn4cc[nH+]c4c3)oc2c(Cl)c1 ZINC000432830282 1039479939 /nfs/dbraw/zinc/47/99/39/1039479939.db2.gz SZROKFZXYCILHI-UHFFFAOYSA-N 1 2 333.178 3.816 20 0 EHADLO OCc1ccc(C[NH+]2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000485738613 1039490509 /nfs/dbraw/zinc/49/05/09/1039490509.db2.gz OITUMMHGVHUHAT-UHFFFAOYSA-N 1 2 346.474 3.650 20 0 EHADLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(-n2cccc2)s1 ZINC000667666813 1039493271 /nfs/dbraw/zinc/49/32/71/1039493271.db2.gz YQZIBNVCTSDLMD-UHFFFAOYSA-N 1 2 340.452 3.521 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCOC2(CCCC2)C1 ZINC000906350223 1039496325 /nfs/dbraw/zinc/49/63/25/1039496325.db2.gz RFFMMCSILMDVSA-AWEZNQCLSA-N 1 2 343.402 3.689 20 0 EHADLO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nn(C)cc2Br)cc1 ZINC000432832984 1039502605 /nfs/dbraw/zinc/50/26/05/1039502605.db2.gz ALKQLRKMHNCJHQ-ZDUSSCGKSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nn(C)cc2Br)cc1 ZINC000432832984 1039502622 /nfs/dbraw/zinc/50/26/22/1039502622.db2.gz ALKQLRKMHNCJHQ-ZDUSSCGKSA-N 1 2 336.277 3.554 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000554602257 1039528739 /nfs/dbraw/zinc/52/87/39/1039528739.db2.gz MCRJCFPTJZQPDG-ULQDDVLXSA-N 1 2 344.503 3.687 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)[C@H](C)[C@@H](C)O1 ZINC000488994961 1039531054 /nfs/dbraw/zinc/53/10/54/1039531054.db2.gz HGIFDVKSFIDJBQ-BRWVUGGUSA-N 1 2 326.440 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)[C@H](C)[C@@H](C)O1 ZINC000488994961 1039531072 /nfs/dbraw/zinc/53/10/72/1039531072.db2.gz HGIFDVKSFIDJBQ-BRWVUGGUSA-N 1 2 326.440 3.658 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000151921294 1039536703 /nfs/dbraw/zinc/53/67/03/1039536703.db2.gz XNVULZSYUFWOSX-CQSZACIVSA-N 1 2 326.366 3.505 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000151921294 1039536716 /nfs/dbraw/zinc/53/67/16/1039536716.db2.gz XNVULZSYUFWOSX-CQSZACIVSA-N 1 2 326.366 3.505 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nnc(C(C)(C)C)[nH]3)oc21 ZINC000432856341 1039550623 /nfs/dbraw/zinc/55/06/23/1039550623.db2.gz WHRFHZYYHNIXGF-LLVKDONJSA-N 1 2 328.416 3.708 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000417218454 1039565905 /nfs/dbraw/zinc/56/59/05/1039565905.db2.gz SVRQFXSTZDLUOO-UHFFFAOYSA-N 1 2 344.484 3.914 20 0 EHADLO Cc1ccc(C)c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500846634 1039582807 /nfs/dbraw/zinc/58/28/07/1039582807.db2.gz PMHDZACUWXXISV-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO Cc1ccc(C)c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500846634 1039582830 /nfs/dbraw/zinc/58/28/30/1039582830.db2.gz PMHDZACUWXXISV-IBGZPJMESA-N 1 2 349.434 3.927 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(F)(F)F)s2)cc1 ZINC000660175842 1039595658 /nfs/dbraw/zinc/59/56/58/1039595658.db2.gz OPVQJRQFFCBIHB-SECBINFHSA-N 1 2 331.363 3.806 20 0 EHADLO CC1=CC[N@H+](CCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000512542276 1039689272 /nfs/dbraw/zinc/68/92/72/1039689272.db2.gz MTWLOEVCQRVWAX-UHFFFAOYSA-N 1 2 329.469 3.567 20 0 EHADLO CC1=CC[N@@H+](CCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000512542276 1039689277 /nfs/dbraw/zinc/68/92/77/1039689277.db2.gz MTWLOEVCQRVWAX-UHFFFAOYSA-N 1 2 329.469 3.567 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000543838402 1039691983 /nfs/dbraw/zinc/69/19/83/1039691983.db2.gz HZLCLWUUMXOVFZ-GOSISDBHSA-N 1 2 344.361 3.751 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1 ZINC000898907049 1039695612 /nfs/dbraw/zinc/69/56/12/1039695612.db2.gz QRVSSHBFPFJOJO-UHFFFAOYSA-N 1 2 345.752 3.720 20 0 EHADLO CC(C)OCCC[N@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645807469 1039716933 /nfs/dbraw/zinc/71/69/33/1039716933.db2.gz AYTCNMFRARTWSV-UHFFFAOYSA-N 1 2 341.814 3.776 20 0 EHADLO CC(C)OCCC[N@@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645807469 1039716954 /nfs/dbraw/zinc/71/69/54/1039716954.db2.gz AYTCNMFRARTWSV-UHFFFAOYSA-N 1 2 341.814 3.776 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000489242941 1039747707 /nfs/dbraw/zinc/74/77/07/1039747707.db2.gz UZASKPPLJYJUBA-DOTOQJQBSA-N 1 2 328.460 3.667 20 0 EHADLO COc1cccc(Cl)c1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000554812132 1039750315 /nfs/dbraw/zinc/75/03/15/1039750315.db2.gz OTUSJTRPQJBDSB-UHFFFAOYSA-N 1 2 331.799 3.856 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c(C)[nH+]1 ZINC000912384895 1039843596 /nfs/dbraw/zinc/84/35/96/1039843596.db2.gz NVVBDWIJFZLXLY-CQSZACIVSA-N 1 2 344.377 3.627 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC3(CC2)OCc2ccccc23)c(C)[nH+]1 ZINC000906991140 1039869800 /nfs/dbraw/zinc/86/98/00/1039869800.db2.gz FGYTWGWKBMPTHP-UHFFFAOYSA-N 1 2 336.435 3.669 20 0 EHADLO CCc1cccnc1[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662211 1039879129 /nfs/dbraw/zinc/87/91/29/1039879129.db2.gz JLKNSMWIMKILEY-VBKZILBWSA-N 1 2 338.430 3.957 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)o1 ZINC000011216681 1039917755 /nfs/dbraw/zinc/91/77/55/1039917755.db2.gz KOKWPRQZDKOGLF-GFCCVEGCSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)o1 ZINC000011216681 1039917764 /nfs/dbraw/zinc/91/77/64/1039917764.db2.gz KOKWPRQZDKOGLF-GFCCVEGCSA-N 1 2 338.354 3.648 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000893993149 1039928289 /nfs/dbraw/zinc/92/82/89/1039928289.db2.gz BGUJCUICOWHWNG-UHFFFAOYSA-N 1 2 344.434 3.523 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511635456 1039982627 /nfs/dbraw/zinc/98/26/27/1039982627.db2.gz RNXMYEBBKZUMNS-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511635456 1039982643 /nfs/dbraw/zinc/98/26/43/1039982643.db2.gz RNXMYEBBKZUMNS-UHFFFAOYSA-N 1 2 325.387 3.760 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000907304043 1040004948 /nfs/dbraw/zinc/00/49/48/1040004948.db2.gz PYUYVVVTTCFJFK-UHFFFAOYSA-N 1 2 330.407 3.501 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000162436351 1040019291 /nfs/dbraw/zinc/01/92/91/1040019291.db2.gz VVUMXGIAPQQWNG-AWEZNQCLSA-N 1 2 342.443 3.690 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2nc(C3CCCC3)no2)CC2CC2)c1 ZINC000153612412 1040032421 /nfs/dbraw/zinc/03/24/21/1040032421.db2.gz VTYKNCQASSPIOE-UHFFFAOYSA-N 1 2 327.428 3.845 20 0 EHADLO Oc1cccc(C[N@H+](Cc2nc(C3CCCC3)no2)CC2CC2)c1 ZINC000153612412 1040032434 /nfs/dbraw/zinc/03/24/34/1040032434.db2.gz VTYKNCQASSPIOE-UHFFFAOYSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907422812 1040051150 /nfs/dbraw/zinc/05/11/50/1040051150.db2.gz YMFJPQCSRCIROO-CYBMUJFWSA-N 1 2 328.460 3.758 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000907425639 1040054106 /nfs/dbraw/zinc/05/41/06/1040054106.db2.gz BFKFFIVMKNLRDO-AWEZNQCLSA-N 1 2 339.464 3.648 20 0 EHADLO CCc1ccc(C(C)(C)CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000489537102 1040058786 /nfs/dbraw/zinc/05/87/86/1040058786.db2.gz LXLJSUXPXXPBDV-UHFFFAOYSA-N 1 2 348.450 3.537 20 0 EHADLO Cc1ccccc1C1(C(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC000486386587 1040102343 /nfs/dbraw/zinc/10/23/43/1040102343.db2.gz FRSVQWFWWDERBK-UHFFFAOYSA-N 1 2 337.467 3.820 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000553464618 1040103992 /nfs/dbraw/zinc/10/39/92/1040103992.db2.gz IYLZBSAPHHMYJN-OAHLLOKOSA-N 1 2 342.183 3.551 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000278828803 1040112440 /nfs/dbraw/zinc/11/24/40/1040112440.db2.gz CYWIJIAITLBZLZ-HSOILSAZSA-N 1 2 349.422 3.507 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000150915709 1040174916 /nfs/dbraw/zinc/17/49/16/1040174916.db2.gz FSBMXPHJXWFGSK-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO Cc1coc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000907812219 1040181980 /nfs/dbraw/zinc/18/19/80/1040181980.db2.gz WBKNCCDCFYSZQQ-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1coc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000907812219 1040181984 /nfs/dbraw/zinc/18/19/84/1040181984.db2.gz WBKNCCDCFYSZQQ-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(C)(F)F ZINC000907816570 1040184038 /nfs/dbraw/zinc/18/40/38/1040184038.db2.gz VLRRNXUZGQOPSR-YPMHNXCESA-N 1 2 339.430 3.722 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(C)(F)F ZINC000907816570 1040184049 /nfs/dbraw/zinc/18/40/49/1040184049.db2.gz VLRRNXUZGQOPSR-YPMHNXCESA-N 1 2 339.430 3.722 20 0 EHADLO CCCn1nccc1C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000667475981 1040186623 /nfs/dbraw/zinc/18/66/23/1040186623.db2.gz JBCTVDTZKVBCGJ-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO CCCn1nccc1C[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000667475981 1040186629 /nfs/dbraw/zinc/18/66/29/1040186629.db2.gz JBCTVDTZKVBCGJ-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C2CC2)o1 ZINC000051965794 1040196457 /nfs/dbraw/zinc/19/64/57/1040196457.db2.gz JVIDDPACQUUKRD-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C2CC2)o1 ZINC000051965794 1040196465 /nfs/dbraw/zinc/19/64/65/1040196465.db2.gz JVIDDPACQUUKRD-INIZCTEOSA-N 1 2 326.440 3.772 20 0 EHADLO CCC1(c2ccc(Cl)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907866057 1040207520 /nfs/dbraw/zinc/20/75/20/1040207520.db2.gz GMZBLSMMSMDSKF-UHFFFAOYSA-N 1 2 331.847 3.576 20 0 EHADLO C[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1(C)CCCC1 ZINC000489852827 1040208756 /nfs/dbraw/zinc/20/87/56/1040208756.db2.gz YZMCEGFVLOBUMP-UHFFFAOYSA-N 1 2 330.457 3.555 20 0 EHADLO C[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1(C)CCCC1 ZINC000489852827 1040208778 /nfs/dbraw/zinc/20/87/78/1040208778.db2.gz YZMCEGFVLOBUMP-UHFFFAOYSA-N 1 2 330.457 3.555 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000668632672 1040226216 /nfs/dbraw/zinc/22/62/16/1040226216.db2.gz ZRLSQRZWSMQCMC-NEPJUHHUSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000668632672 1040226234 /nfs/dbraw/zinc/22/62/34/1040226234.db2.gz ZRLSQRZWSMQCMC-NEPJUHHUSA-N 1 2 334.407 3.943 20 0 EHADLO CCCc1cccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c1 ZINC000479442155 1040236134 /nfs/dbraw/zinc/23/61/34/1040236134.db2.gz VLECXLBUYOCPBT-UHFFFAOYSA-N 1 2 339.483 3.855 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000893320655 1040241364 /nfs/dbraw/zinc/24/13/64/1040241364.db2.gz SIEMWSKYEVQYTL-UHFFFAOYSA-N 1 2 331.435 3.787 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000893320655 1040241380 /nfs/dbraw/zinc/24/13/80/1040241380.db2.gz SIEMWSKYEVQYTL-UHFFFAOYSA-N 1 2 331.435 3.787 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291524 1040263289 /nfs/dbraw/zinc/26/32/89/1040263289.db2.gz ZSFKZLYHAOQRMT-OAHLLOKOSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC(N3CCc4ccccc43)CC2)c(C)[nH+]1 ZINC000908016231 1040264910 /nfs/dbraw/zinc/26/49/10/1040264910.db2.gz MEBMZZFLPRXFJH-UHFFFAOYSA-N 1 2 349.478 3.674 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cnn2c1CCC2 ZINC000667499384 1040271889 /nfs/dbraw/zinc/27/18/89/1040271889.db2.gz IPJISIDSVCEBOD-LBPRGKRZSA-N 1 2 334.261 3.785 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667499384 1040271909 /nfs/dbraw/zinc/27/19/09/1040271909.db2.gz IPJISIDSVCEBOD-LBPRGKRZSA-N 1 2 334.261 3.785 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066454 1040277979 /nfs/dbraw/zinc/27/79/79/1040277979.db2.gz PTLOBFPTIFHXPM-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066454 1040277996 /nfs/dbraw/zinc/27/79/96/1040277996.db2.gz PTLOBFPTIFHXPM-HZSPNIEDSA-N 1 2 337.464 3.554 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cnc2ccccc2n1 ZINC000660299771 1040285977 /nfs/dbraw/zinc/28/59/77/1040285977.db2.gz KLNXLKCQLMBWLW-UHFFFAOYSA-N 1 2 331.423 3.541 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000486650478 1040308445 /nfs/dbraw/zinc/30/84/45/1040308445.db2.gz JCESUNVIJUCUTO-SXLOBPIMSA-N 1 2 337.467 3.630 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2ccccc2n1 ZINC000490062275 1040329834 /nfs/dbraw/zinc/32/98/34/1040329834.db2.gz ZRBSMRUDTJSUNT-QGZVFWFLSA-N 1 2 329.831 3.807 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2ccccc2n1 ZINC000490062275 1040329849 /nfs/dbraw/zinc/32/98/49/1040329849.db2.gz ZRBSMRUDTJSUNT-QGZVFWFLSA-N 1 2 329.831 3.807 20 0 EHADLO Cc1cccc(CCCNc2nc(C3CC3)ncc2Br)[nH+]1 ZINC000663899257 1040338013 /nfs/dbraw/zinc/33/80/13/1040338013.db2.gz GFGUZEFUQRFFMT-UHFFFAOYSA-N 1 2 347.260 3.865 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000481114607 1040361380 /nfs/dbraw/zinc/36/13/80/1040361380.db2.gz NQDIHJLZAXQYFH-CQSZACIVSA-N 1 2 333.501 3.771 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000029541901 1040432761 /nfs/dbraw/zinc/43/27/61/1040432761.db2.gz AEHUSHNUGQILLN-CYBMUJFWSA-N 1 2 331.489 3.745 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000029541901 1040432768 /nfs/dbraw/zinc/43/27/68/1040432768.db2.gz AEHUSHNUGQILLN-CYBMUJFWSA-N 1 2 331.489 3.745 20 0 EHADLO C[N@H+](Cc1cc(Br)cs1)Cc1ccnn1CC1CC1 ZINC000667530746 1040464099 /nfs/dbraw/zinc/46/40/99/1040464099.db2.gz JWFJSYKXONGFIS-UHFFFAOYSA-N 1 2 340.290 3.749 20 0 EHADLO C[N@@H+](Cc1cc(Br)cs1)Cc1ccnn1CC1CC1 ZINC000667530746 1040464113 /nfs/dbraw/zinc/46/41/13/1040464113.db2.gz JWFJSYKXONGFIS-UHFFFAOYSA-N 1 2 340.290 3.749 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@](=O)C1 ZINC000433019689 1040467473 /nfs/dbraw/zinc/46/74/73/1040467473.db2.gz KWWPPZQBXXUUOO-OSPHWJPCSA-N 1 2 349.540 3.846 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@](=O)C1 ZINC000433019689 1040467479 /nfs/dbraw/zinc/46/74/79/1040467479.db2.gz KWWPPZQBXXUUOO-OSPHWJPCSA-N 1 2 349.540 3.846 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000433024867 1040485899 /nfs/dbraw/zinc/48/58/99/1040485899.db2.gz ZLRYHAZYTFPNBU-NPMABZOXSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000433024867 1040485906 /nfs/dbraw/zinc/48/59/06/1040485906.db2.gz ZLRYHAZYTFPNBU-NPMABZOXSA-N 1 2 335.444 3.595 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](CCCOc1ccccc1)C2 ZINC000481212014 1040487820 /nfs/dbraw/zinc/48/78/20/1040487820.db2.gz OYIBOXKKKDKQNI-UHFFFAOYSA-N 1 2 333.435 3.700 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](CCCOc1ccccc1)C2 ZINC000481212014 1040487829 /nfs/dbraw/zinc/48/78/29/1040487829.db2.gz OYIBOXKKKDKQNI-UHFFFAOYSA-N 1 2 333.435 3.700 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000433041382 1040529229 /nfs/dbraw/zinc/52/92/29/1040529229.db2.gz WGLLDSKKORKHMC-KBXCAEBGSA-N 1 2 346.858 3.603 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000247269673 1040551044 /nfs/dbraw/zinc/55/10/44/1040551044.db2.gz XYWXTARZNQYPFY-NVXWUHKLSA-N 1 2 348.487 3.686 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000247269673 1040551056 /nfs/dbraw/zinc/55/10/56/1040551056.db2.gz XYWXTARZNQYPFY-NVXWUHKLSA-N 1 2 348.487 3.686 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000553886451 1040571531 /nfs/dbraw/zinc/57/15/31/1040571531.db2.gz NLNIPKGYBMLDCN-IBGZPJMESA-N 1 2 343.492 3.826 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000553886451 1040571545 /nfs/dbraw/zinc/57/15/45/1040571545.db2.gz NLNIPKGYBMLDCN-IBGZPJMESA-N 1 2 343.492 3.826 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000418095123 1040574207 /nfs/dbraw/zinc/57/42/07/1040574207.db2.gz GBVQVJOYXIOFKF-LLVKDONJSA-N 1 2 348.434 3.811 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667549639 1040586829 /nfs/dbraw/zinc/58/68/29/1040586829.db2.gz RWLRTLWOYLIVLA-DYVFJYSZSA-N 1 2 342.443 3.624 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000247500244 1040599988 /nfs/dbraw/zinc/59/99/88/1040599988.db2.gz PQSAIXGZGFUNTG-UHFFFAOYSA-N 1 2 339.483 3.514 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)n1 ZINC000151140386 1040609437 /nfs/dbraw/zinc/60/94/37/1040609437.db2.gz NFDNDTLDSDXNQT-ZBFHGGJFSA-N 1 2 349.500 3.748 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](CC)C[C@H](O)c2ccc(C)cc2)n1 ZINC000151140386 1040609446 /nfs/dbraw/zinc/60/94/46/1040609446.db2.gz NFDNDTLDSDXNQT-ZBFHGGJFSA-N 1 2 349.500 3.748 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000759777910 1040621296 /nfs/dbraw/zinc/62/12/96/1040621296.db2.gz YORWMMGRUDEQSX-SFHVURJKSA-N 1 2 327.815 3.767 20 0 EHADLO c1ccc(CC[N@H+](Cc2nc(C3CCCC3)no2)[C@@H]2CCOC2)cc1 ZINC000155321127 1040640456 /nfs/dbraw/zinc/64/04/56/1040640456.db2.gz ZZOQZPMKEYQJHD-GOSISDBHSA-N 1 2 341.455 3.561 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nc(C3CCCC3)no2)[C@@H]2CCOC2)cc1 ZINC000155321127 1040640461 /nfs/dbraw/zinc/64/04/61/1040640461.db2.gz ZZOQZPMKEYQJHD-GOSISDBHSA-N 1 2 341.455 3.561 20 0 EHADLO CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487027383 1040659311 /nfs/dbraw/zinc/65/93/11/1040659311.db2.gz BZRFPJDVIOUMLE-LJQANCHMSA-N 1 2 349.434 3.655 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278830645 1040660517 /nfs/dbraw/zinc/66/05/17/1040660517.db2.gz DBHBSXCJSJYXRU-IUCAKERBSA-N 1 2 337.411 3.506 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1O ZINC000311129266 1040710509 /nfs/dbraw/zinc/71/05/09/1040710509.db2.gz QMIVXLZLANMWTC-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1O ZINC000311129266 1040710521 /nfs/dbraw/zinc/71/05/21/1040710521.db2.gz QMIVXLZLANMWTC-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2c(F)cccc2Cl)n1 ZINC000600137191 1040711354 /nfs/dbraw/zinc/71/13/54/1040711354.db2.gz JVZSZBIPPLGQJB-LLVKDONJSA-N 1 2 336.794 3.902 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669092084 1040733883 /nfs/dbraw/zinc/73/38/83/1040733883.db2.gz XZBAHFKTSKSNAG-ATZDWAIDSA-N 1 2 337.467 3.914 20 0 EHADLO CN(C)c1cccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001211789547 1040894411 /nfs/dbraw/zinc/89/44/11/1040894411.db2.gz VYIWBTBCCTWQJA-UHFFFAOYSA-N 1 2 345.406 3.579 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C12CCCC2 ZINC000555596692 1040895876 /nfs/dbraw/zinc/89/58/76/1040895876.db2.gz YYMYXUZNIYQMBP-BRWVUGGUSA-N 1 2 332.492 3.754 20 0 EHADLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000491133348 1040942928 /nfs/dbraw/zinc/94/29/28/1040942928.db2.gz STODTZQSFORQPO-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO COc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000491133348 1040942949 /nfs/dbraw/zinc/94/29/49/1040942949.db2.gz STODTZQSFORQPO-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494538 1040972488 /nfs/dbraw/zinc/97/24/88/1040972488.db2.gz CEIMVXNILUUMBB-KZULUSFZSA-N 1 2 331.456 3.588 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494538 1040972492 /nfs/dbraw/zinc/97/24/92/1040972492.db2.gz CEIMVXNILUUMBB-KZULUSFZSA-N 1 2 331.456 3.588 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1nc(CC(F)(F)F)no1)C(C)(C)C2 ZINC000555678766 1040988852 /nfs/dbraw/zinc/98/88/52/1040988852.db2.gz CTAPHHFLHLTRBR-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1nc(CC(F)(F)F)no1)C(C)(C)C2 ZINC000555678766 1040988873 /nfs/dbraw/zinc/98/88/73/1040988873.db2.gz CTAPHHFLHLTRBR-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3c(Cl)cccc3Cl)[nH+]c12 ZINC000586750112 1040994314 /nfs/dbraw/zinc/99/43/14/1040994314.db2.gz DQZXZZCRZHXDRU-UHFFFAOYSA-N 1 2 348.233 3.808 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(F)F)c(F)c3)[nH+]c12 ZINC000586752804 1040998023 /nfs/dbraw/zinc/99/80/23/1040998023.db2.gz YTEZRGPEVZWUAU-UHFFFAOYSA-N 1 2 349.312 3.564 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1NCc1ccc2oc(C)nc2c1 ZINC001167757728 1041004121 /nfs/dbraw/zinc/00/41/21/1041004121.db2.gz VZTLHMORQIWHDG-UHFFFAOYSA-N 1 2 339.395 3.639 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419271796 1041036646 /nfs/dbraw/zinc/03/66/46/1041036646.db2.gz AEHYMXSJFFLNER-KSSFIOAISA-N 1 2 344.455 3.661 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000419275833 1041047592 /nfs/dbraw/zinc/04/75/92/1041047592.db2.gz DXMADXSVSYUOQM-DNVCBOLYSA-N 1 2 344.455 3.518 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487692707 1041048761 /nfs/dbraw/zinc/04/87/61/1041048761.db2.gz QRCRJXIQMFYNHQ-GOSISDBHSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000567748858 1041065024 /nfs/dbraw/zinc/06/50/24/1041065024.db2.gz LSFQNNRNIVGPRH-LPMFXHHGSA-N 1 2 330.403 3.537 20 0 EHADLO C[C@H]1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000644801091 1041105410 /nfs/dbraw/zinc/10/54/10/1041105410.db2.gz UZUKNFONJTUTPA-RFXRWBHQSA-N 1 2 341.430 3.626 20 0 EHADLO CC(C)C(CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000425289382 1041154465 /nfs/dbraw/zinc/15/44/65/1041154465.db2.gz ZKPAZATXTFTSNN-KRWDZBQOSA-N 1 2 327.472 3.976 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255162 1041164231 /nfs/dbraw/zinc/16/42/31/1041164231.db2.gz FIUFXODAONOCMZ-BETUJISGSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433255162 1041164240 /nfs/dbraw/zinc/16/42/40/1041164240.db2.gz FIUFXODAONOCMZ-BETUJISGSA-N 1 2 326.843 3.700 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858397 1041179932 /nfs/dbraw/zinc/17/99/32/1041179932.db2.gz MTWCGLUZLFCEEQ-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CCO1 ZINC000759858397 1041179935 /nfs/dbraw/zinc/17/99/35/1041179935.db2.gz MTWCGLUZLFCEEQ-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279014 1041190377 /nfs/dbraw/zinc/19/03/77/1041190377.db2.gz NNVBXTKPUQTAPX-QWHCGFSZSA-N 1 2 340.172 3.980 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279014 1041190382 /nfs/dbraw/zinc/19/03/82/1041190382.db2.gz NNVBXTKPUQTAPX-QWHCGFSZSA-N 1 2 340.172 3.980 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H]1c1ccccn1 ZINC000571160234 1041208653 /nfs/dbraw/zinc/20/86/53/1041208653.db2.gz MEEAMQZXRMNNGD-HKUYNNGSSA-N 1 2 346.434 3.690 20 0 EHADLO Cc1cc(OCC(=O)Nc2cccc3[nH+]ccn32)cc(C)c1Cl ZINC000487984111 1041234648 /nfs/dbraw/zinc/23/46/48/1041234648.db2.gz ALVHTNIVFHAXBY-UHFFFAOYSA-N 1 2 329.787 3.622 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000433302473 1041240609 /nfs/dbraw/zinc/24/06/09/1041240609.db2.gz IKWOLINCMFUMEA-MRXNPFEDSA-N 1 2 349.434 3.819 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433305689 1041246578 /nfs/dbraw/zinc/24/65/78/1041246578.db2.gz QPDSUEFMMCRBOO-HNNXBMFYSA-N 1 2 344.842 3.777 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433305689 1041246590 /nfs/dbraw/zinc/24/65/90/1041246590.db2.gz QPDSUEFMMCRBOO-HNNXBMFYSA-N 1 2 344.842 3.777 20 0 EHADLO COc1ccc(C2([NH2+]Cc3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000433313211 1041255561 /nfs/dbraw/zinc/25/55/61/1041255561.db2.gz PFXQGTXNNZEUDP-UHFFFAOYSA-N 1 2 328.359 3.949 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433318296 1041274823 /nfs/dbraw/zinc/27/48/23/1041274823.db2.gz LDNJNXZWZGNZNH-TZMCWYRMSA-N 1 2 335.835 3.810 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433318296 1041274842 /nfs/dbraw/zinc/27/48/42/1041274842.db2.gz LDNJNXZWZGNZNH-TZMCWYRMSA-N 1 2 335.835 3.810 20 0 EHADLO CC[C@@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC)CC(F)(F)F ZINC000419316422 1041282704 /nfs/dbraw/zinc/28/27/04/1041282704.db2.gz LJHLHVOIUJIPJX-HIFRSBDPSA-N 1 2 331.378 3.647 20 0 EHADLO Cc1cc(CNC(=O)Nc2cnc(C(F)(F)F)c(C)c2)cc(C)[nH+]1 ZINC000667933819 1041285681 /nfs/dbraw/zinc/28/56/81/1041285681.db2.gz TXEISTRWOLCDAN-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000660437479 1041365090 /nfs/dbraw/zinc/36/50/90/1041365090.db2.gz ZDHCMPJCMSTOJI-SFHVURJKSA-N 1 2 340.471 3.827 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000500939874 1041392015 /nfs/dbraw/zinc/39/20/15/1041392015.db2.gz IBBAJMPYZYKGOX-MRXNPFEDSA-N 1 2 343.471 3.569 20 0 EHADLO FC(F)(F)Oc1cccc(C[NH2+]Cc2nc(-c3ccccc3)no2)c1 ZINC000429979696 1041413908 /nfs/dbraw/zinc/41/39/08/1041413908.db2.gz JUWMOPJURAGMNC-UHFFFAOYSA-N 1 2 349.312 3.925 20 0 EHADLO Cc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)cn1 ZINC000759909680 1041423815 /nfs/dbraw/zinc/42/38/15/1041423815.db2.gz CSEBOTKFXVFHBK-UHFFFAOYSA-N 1 2 326.375 3.604 20 0 EHADLO C[C@H](CC(=O)NCC[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000576283264 1041424396 /nfs/dbraw/zinc/42/43/96/1041424396.db2.gz IAOYWZAWVWETJH-UKRRQHHQSA-N 1 2 339.361 3.687 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)cs1 ZINC000111375750 1041547480 /nfs/dbraw/zinc/54/74/80/1041547480.db2.gz HGPOLWHAYSINGR-STQMWFEESA-N 1 2 347.484 3.700 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)cs1 ZINC000111375754 1041547585 /nfs/dbraw/zinc/54/75/85/1041547585.db2.gz HGPOLWHAYSINGR-QWHCGFSZSA-N 1 2 347.484 3.700 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3CCCc4ccc(F)cc43)ccc2[nH+]1 ZINC000432070275 1041550774 /nfs/dbraw/zinc/55/07/74/1041550774.db2.gz WRFVLBVSAWKGIS-QGZVFWFLSA-N 1 2 338.386 3.981 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@H](c3ccccc3)C2)oc1C ZINC000292718227 1041601161 /nfs/dbraw/zinc/60/11/61/1041601161.db2.gz UJXGJOKOVPZESB-ACJLOTCBSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@H](c3ccccc3)C2)oc1C ZINC000292718227 1041601166 /nfs/dbraw/zinc/60/11/66/1041601166.db2.gz UJXGJOKOVPZESB-ACJLOTCBSA-N 1 2 329.396 3.509 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)[nH]1 ZINC000660532096 1041639452 /nfs/dbraw/zinc/63/94/52/1041639452.db2.gz CBDYYLMKVBPTCG-SJKOYZFVSA-N 1 2 334.414 3.990 20 0 EHADLO CC(C)C[C@@H](C)Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545589814 1041655508 /nfs/dbraw/zinc/65/55/08/1041655508.db2.gz DUGGGYKSOJQDGO-MRXNPFEDSA-N 1 2 343.471 3.794 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCn2c[nH+]cc2C1 ZINC000660581703 1041704196 /nfs/dbraw/zinc/70/41/96/1041704196.db2.gz ILIJXOYQCFDJPC-LBPRGKRZSA-N 1 2 328.803 3.768 20 0 EHADLO CSc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000660626602 1041731167 /nfs/dbraw/zinc/73/11/67/1041731167.db2.gz YREDVQDQLJCQER-JTQLQIEISA-N 1 2 338.274 3.812 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2nsc3ccccc32)C[C@H]1c1ccccc1 ZINC000660670651 1041764602 /nfs/dbraw/zinc/76/46/02/1041764602.db2.gz IMJMRUPQIAGGIZ-LPHOPBHVSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2nsc3ccccc32)C[C@H]1c1ccccc1 ZINC000660670651 1041764608 /nfs/dbraw/zinc/76/46/08/1041764608.db2.gz IMJMRUPQIAGGIZ-LPHOPBHVSA-N 1 2 342.439 3.596 20 0 EHADLO Cc1cncc(CC[N@@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708245 1041787273 /nfs/dbraw/zinc/78/72/73/1041787273.db2.gz OFGIIVWTVAKNNV-GFCCVEGCSA-N 1 2 329.835 3.550 20 0 EHADLO Cc1cncc(CC[N@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708245 1041787277 /nfs/dbraw/zinc/78/72/77/1041787277.db2.gz OFGIIVWTVAKNNV-GFCCVEGCSA-N 1 2 329.835 3.550 20 0 EHADLO COC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660758898 1041809696 /nfs/dbraw/zinc/80/96/96/1041809696.db2.gz XCUDWDKNVHAPBQ-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO COC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660758898 1041809704 /nfs/dbraw/zinc/80/97/04/1041809704.db2.gz XCUDWDKNVHAPBQ-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799882 1041832170 /nfs/dbraw/zinc/83/21/70/1041832170.db2.gz INGAGQJFDPHKSK-JKSUJKDBSA-N 1 2 337.341 3.735 20 0 EHADLO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799882 1041832173 /nfs/dbraw/zinc/83/21/73/1041832173.db2.gz INGAGQJFDPHKSK-JKSUJKDBSA-N 1 2 337.341 3.735 20 0 EHADLO Fc1ccc2c(c1)CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000893427614 1041969197 /nfs/dbraw/zinc/96/91/97/1041969197.db2.gz JAATZQPVOBMGGN-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO Fc1ccc2c(c1)CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000893427614 1041969203 /nfs/dbraw/zinc/96/92/03/1041969203.db2.gz JAATZQPVOBMGGN-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)c1 ZINC000661162165 1041976798 /nfs/dbraw/zinc/97/67/98/1041976798.db2.gz JYKFCSVKOXJGQO-CQSZACIVSA-N 1 2 340.423 3.689 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2ccco2)CC1 ZINC000661164575 1041979373 /nfs/dbraw/zinc/97/93/73/1041979373.db2.gz XYAUEVCGCITSRK-LBPRGKRZSA-N 1 2 334.366 3.764 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c[nH+]1 ZINC000661291418 1042052212 /nfs/dbraw/zinc/05/22/12/1042052212.db2.gz GSDRYEUQWGWMCY-DOTOQJQBSA-N 1 2 329.831 3.707 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc(C)[nH+]1 ZINC000661329470 1042068203 /nfs/dbraw/zinc/06/82/03/1042068203.db2.gz BQKAZSGVGDEHRS-HNNXBMFYSA-N 1 2 339.439 3.584 20 0 EHADLO CC(C)(CC(F)(F)F)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000613783358 1042082440 /nfs/dbraw/zinc/08/24/40/1042082440.db2.gz WDGXDLFJYWAAQO-ZDUSSCGKSA-N 1 2 339.361 3.779 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661381771 1042091461 /nfs/dbraw/zinc/09/14/61/1042091461.db2.gz CLYTVLJQERMRKW-UHFFFAOYSA-N 1 2 340.254 3.920 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1F ZINC000651892744 1042150270 /nfs/dbraw/zinc/15/02/70/1042150270.db2.gz LPXBEFLWIXOZKB-VOJFVSQTSA-N 1 2 347.821 3.578 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](OC)C2CCCCC2)n1 ZINC000595351592 1042193701 /nfs/dbraw/zinc/19/37/01/1042193701.db2.gz MDVVDTVLFLGAQM-DZGCQCFKSA-N 1 2 341.521 3.911 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)C2CCCCC2)n1 ZINC000595351592 1042193703 /nfs/dbraw/zinc/19/37/03/1042193703.db2.gz MDVVDTVLFLGAQM-DZGCQCFKSA-N 1 2 341.521 3.911 20 0 EHADLO Cc1csc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)n1 ZINC000531342325 1042228101 /nfs/dbraw/zinc/22/81/01/1042228101.db2.gz LGRFMDYJADNFFE-UHFFFAOYSA-N 1 2 339.867 3.609 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000025692620 1042279192 /nfs/dbraw/zinc/27/91/92/1042279192.db2.gz LLNSLBAIZKAUJF-MGPUTAFESA-N 1 2 338.451 3.674 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(Oc2ccc(F)cc2)n1)c1nccn1C ZINC000652238651 1042283295 /nfs/dbraw/zinc/28/32/95/1042283295.db2.gz OOUVANVQBNPPIT-KRWDZBQOSA-N 1 2 340.402 3.987 20 0 EHADLO CC[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000661864605 1042372056 /nfs/dbraw/zinc/37/20/56/1042372056.db2.gz KCNKRIRDXCLQFV-MOPGFXCFSA-N 1 2 340.471 3.729 20 0 EHADLO COCc1cc[nH+]c(N[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)c1 ZINC000652331051 1042378170 /nfs/dbraw/zinc/37/81/70/1042378170.db2.gz WRSNWZDFPZNJLZ-KRWDZBQOSA-N 1 2 327.384 3.884 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ncc(Br)cc2F)c1 ZINC000652331024 1042378432 /nfs/dbraw/zinc/37/84/32/1042378432.db2.gz VWZQGODCAQSQIO-VIFPVBQESA-N 1 2 340.196 3.698 20 0 EHADLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(c3ccon3)CC2)c1C ZINC000662043142 1042476733 /nfs/dbraw/zinc/47/67/33/1042476733.db2.gz HQRLRTLUAQTCOR-UHFFFAOYSA-N 1 2 329.444 3.565 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000662047606 1042483673 /nfs/dbraw/zinc/48/36/73/1042483673.db2.gz GXDBBHPIJIPSBL-UHFFFAOYSA-N 1 2 344.365 3.518 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(-c4ccco4)no3)CCC2)c1 ZINC000662108902 1042524633 /nfs/dbraw/zinc/52/46/33/1042524633.db2.gz RIBZPGSAVFKKCJ-UHFFFAOYSA-N 1 2 325.368 3.507 20 0 EHADLO C[C@]1(C(F)F)C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000662370387 1042695455 /nfs/dbraw/zinc/69/54/55/1042695455.db2.gz CJJRLJZIVGHKIZ-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000662370387 1042695456 /nfs/dbraw/zinc/69/54/56/1042695456.db2.gz CJJRLJZIVGHKIZ-LJQANCHMSA-N 1 2 348.393 3.517 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000186993125 1042739953 /nfs/dbraw/zinc/73/99/53/1042739953.db2.gz VYXYSJRQOCKZJG-OKILXGFUSA-N 1 2 341.904 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000186993125 1042739958 /nfs/dbraw/zinc/73/99/58/1042739958.db2.gz VYXYSJRQOCKZJG-OKILXGFUSA-N 1 2 341.904 3.756 20 0 EHADLO C[C@@H](CNc1nc2cccc(OC(F)F)c2s1)Cn1cc[nH+]c1 ZINC000663393611 1042808603 /nfs/dbraw/zinc/80/86/03/1042808603.db2.gz HHGUMWSTXZIEJW-JTQLQIEISA-N 1 2 338.383 3.842 20 0 EHADLO Cc1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c2n[nH]cc21 ZINC001625912700 1042880052 /nfs/dbraw/zinc/88/00/52/1042880052.db2.gz POGVHKYJKNUQHC-UHFFFAOYSA-N 1 2 343.390 3.684 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc(C)[nH+]1 ZINC000643241840 1042902617 /nfs/dbraw/zinc/90/26/17/1042902617.db2.gz XRQAGHKUPVQOOW-OCCSQVGLSA-N 1 2 329.366 3.571 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000026475563 1042931510 /nfs/dbraw/zinc/93/15/10/1042931510.db2.gz DQYSRYQZDBUUOL-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000026475563 1042931517 /nfs/dbraw/zinc/93/15/17/1042931517.db2.gz DQYSRYQZDBUUOL-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)n1 ZINC000343960149 1042951844 /nfs/dbraw/zinc/95/18/44/1042951844.db2.gz HUCIAHMVXISGDD-CJNGLKHVSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)n1 ZINC000343960149 1042951849 /nfs/dbraw/zinc/95/18/49/1042951849.db2.gz HUCIAHMVXISGDD-CJNGLKHVSA-N 1 2 333.432 3.759 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1nccn1C ZINC000343995630 1043074306 /nfs/dbraw/zinc/07/43/06/1043074306.db2.gz TXZJLDIDOOEKCG-VHSXEESVSA-N 1 2 326.213 3.734 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](CNc3nc4ccccc4s3)C2)cc1 ZINC000025370302 1043081042 /nfs/dbraw/zinc/08/10/42/1043081042.db2.gz HZTQDYDDUHWTLC-INIZCTEOSA-N 1 2 339.464 3.609 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](CNc3nc4ccccc4s3)C2)cc1 ZINC000025370302 1043081054 /nfs/dbraw/zinc/08/10/54/1043081054.db2.gz HZTQDYDDUHWTLC-INIZCTEOSA-N 1 2 339.464 3.609 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000344098244 1043240949 /nfs/dbraw/zinc/24/09/49/1043240949.db2.gz YGYYMRLAOVFEFZ-CKEIUWERSA-N 1 2 345.443 3.759 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1 ZINC000344098244 1043240960 /nfs/dbraw/zinc/24/09/60/1043240960.db2.gz YGYYMRLAOVFEFZ-CKEIUWERSA-N 1 2 345.443 3.759 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000279048302 1043260240 /nfs/dbraw/zinc/26/02/40/1043260240.db2.gz YGQMLRODGMMMDI-OUAUKWLOSA-N 1 2 349.422 3.507 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000512118029 1043299219 /nfs/dbraw/zinc/29/92/19/1043299219.db2.gz FDAFEPWNKBDJOB-FUHWJXTLSA-N 1 2 344.503 3.697 20 0 EHADLO C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000512118028 1043299725 /nfs/dbraw/zinc/29/97/25/1043299725.db2.gz FDAFEPWNKBDJOB-AEFFLSMTSA-N 1 2 344.503 3.697 20 0 EHADLO COC(=O)[C@H]([NH3+])c1ccc(-c2c(F)ccc(OC(C)C)c2F)cc1 ZINC001204669871 1043351808 /nfs/dbraw/zinc/35/18/08/1043351808.db2.gz SKZLTPZPKREGEL-QGZVFWFLSA-N 1 2 335.350 3.592 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000344163527 1043359630 /nfs/dbraw/zinc/35/96/30/1043359630.db2.gz VKJWXZMWKFVUPX-UHFFFAOYSA-N 1 2 338.392 3.851 20 0 EHADLO CCCn1ncnc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000279109434 1043370107 /nfs/dbraw/zinc/37/01/07/1043370107.db2.gz RGKYGQGRADUSEH-LJQANCHMSA-N 1 2 338.430 3.901 20 0 EHADLO C[C@@](O)(C1CC[NH+](Cc2cc(O)cc(Cl)c2)CC1)C(F)(F)F ZINC000893641343 1043396239 /nfs/dbraw/zinc/39/62/39/1043396239.db2.gz VCOLDYFSEIOBGF-CQSZACIVSA-N 1 2 337.769 3.571 20 0 EHADLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000344242013 1043513751 /nfs/dbraw/zinc/51/37/51/1043513751.db2.gz DCQMAKYIBBAHEV-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279206717 1043563819 /nfs/dbraw/zinc/56/38/19/1043563819.db2.gz KOKCQJLAUXEKPY-CQSZACIVSA-N 1 2 329.469 3.683 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(COC2CCCCC2)c1 ZINC000279233656 1043622494 /nfs/dbraw/zinc/62/24/94/1043622494.db2.gz PHHXIRLIUZYWMI-UHFFFAOYSA-N 1 2 327.428 3.830 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000279248631 1043650019 /nfs/dbraw/zinc/65/00/19/1043650019.db2.gz SQFVIIDHBKLKLG-UHFFFAOYSA-N 1 2 338.436 3.593 20 0 EHADLO O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279273322 1043683814 /nfs/dbraw/zinc/68/38/14/1043683814.db2.gz VRULCIZEWSGKAP-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO FC(F)(F)c1ccccc1Oc1ccc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000344347070 1043705871 /nfs/dbraw/zinc/70/58/71/1043705871.db2.gz FWLLWCYEELJRPF-UHFFFAOYSA-N 1 2 348.328 3.906 20 0 EHADLO O=C(Nc1nc2ccsc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344355573 1043726778 /nfs/dbraw/zinc/72/67/78/1043726778.db2.gz HERYHQAYHDJYEO-UHFFFAOYSA-N 1 2 326.406 3.796 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279297868 1043737541 /nfs/dbraw/zinc/73/75/41/1043737541.db2.gz ZMKLTXNLUZJQLP-JTQLQIEISA-N 1 2 326.227 3.869 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1c(C)noc1C ZINC000050929605 1043763427 /nfs/dbraw/zinc/76/34/27/1043763427.db2.gz UDVVVGIDIBGYQZ-UHFFFAOYSA-N 1 2 339.395 3.653 20 0 EHADLO O=C(CCOc1ccccc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162705651 1043769411 /nfs/dbraw/zinc/76/94/11/1043769411.db2.gz INEGODZVJOASKY-UHFFFAOYSA-N 1 2 325.343 3.623 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC2(CC1)OCc1ccccc12 ZINC000663715272 1043791937 /nfs/dbraw/zinc/79/19/37/1043791937.db2.gz DYJVPGYIUROYAF-UHFFFAOYSA-N 1 2 331.419 3.843 20 0 EHADLO O=C(Cc1ccc(Cl)c(F)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000344450276 1044015139 /nfs/dbraw/zinc/01/51/39/1044015139.db2.gz HYAPJNVXSJAQBC-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]c1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000663763117 1044181279 /nfs/dbraw/zinc/18/12/79/1044181279.db2.gz LDGHOKPSIDPGIE-YXWBTRJXSA-N 1 2 348.491 3.521 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OC(F)F)c2)s1 ZINC000344629581 1044214724 /nfs/dbraw/zinc/21/47/24/1044214724.db2.gz LBAUVIPJMUSGKD-UHFFFAOYSA-N 1 2 327.400 3.727 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1nnc(C(C)C)s1 ZINC000344634559 1044224181 /nfs/dbraw/zinc/22/41/81/1044224181.db2.gz YUOQDOOJYNEDIV-UHFFFAOYSA-N 1 2 341.484 3.754 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000344697877 1044301774 /nfs/dbraw/zinc/30/17/74/1044301774.db2.gz CKNCBHNOLBNTRC-GOSISDBHSA-N 1 2 341.455 3.523 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000344697877 1044301785 /nfs/dbraw/zinc/30/17/85/1044301785.db2.gz CKNCBHNOLBNTRC-GOSISDBHSA-N 1 2 341.455 3.523 20 0 EHADLO CC(C)(C)n1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C1CC1 ZINC000051082956 1044368128 /nfs/dbraw/zinc/36/81/28/1044368128.db2.gz XBFJXTABUQGMRF-UHFFFAOYSA-N 1 2 349.438 3.954 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717755 1044465341 /nfs/dbraw/zinc/46/53/41/1044465341.db2.gz MAXXGMAUCPJSMI-OALUTQOASA-N 1 2 347.405 3.949 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717755 1044465345 /nfs/dbraw/zinc/46/53/45/1044465345.db2.gz MAXXGMAUCPJSMI-OALUTQOASA-N 1 2 347.405 3.949 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000893700805 1044493734 /nfs/dbraw/zinc/49/37/34/1044493734.db2.gz GZMADNPRFZSLBJ-UHFFFAOYSA-N 1 2 334.464 3.674 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000337884611 1044519821 /nfs/dbraw/zinc/51/98/21/1044519821.db2.gz XCISMCIOTXJIKO-MNOVXSKESA-N 1 2 349.360 3.986 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000344866269 1044555152 /nfs/dbraw/zinc/55/51/52/1044555152.db2.gz BKPCWKDYEBICEJ-INIZCTEOSA-N 1 2 349.434 3.775 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NC1(c2ccc(Cl)cc2)CC1 ZINC000112213365 1044588942 /nfs/dbraw/zinc/58/89/42/1044588942.db2.gz JKVRTPNPFCUCND-UHFFFAOYSA-N 1 2 344.846 3.526 20 0 EHADLO Cc1cc(NC(=O)c2[nH]c3ccccc3c2Br)cc[nH+]1 ZINC000112298568 1044598559 /nfs/dbraw/zinc/59/85/59/1044598559.db2.gz KABOOOJSFOZHII-UHFFFAOYSA-N 1 2 330.185 3.886 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000112665645 1044603431 /nfs/dbraw/zinc/60/34/31/1044603431.db2.gz QLPRCAKEHHEBLI-MRXNPFEDSA-N 1 2 349.434 3.930 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000112599747 1044617223 /nfs/dbraw/zinc/61/72/23/1044617223.db2.gz UORYPZLCTDXVKP-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000112599747 1044617230 /nfs/dbraw/zinc/61/72/30/1044617230.db2.gz UORYPZLCTDXVKP-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO Cn1cc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000153528040 1125515884 /nfs/dbraw/zinc/51/58/84/1125515884.db2.gz MXCKXIFEIGZPPX-UHFFFAOYSA-N 1 2 344.418 3.935 20 0 EHADLO Clc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)o1 ZINC000620438797 1125572206 /nfs/dbraw/zinc/57/22/06/1125572206.db2.gz XJLYKNLDCGWEOS-UHFFFAOYSA-N 1 2 344.592 3.714 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153564659 1125632364 /nfs/dbraw/zinc/63/23/64/1125632364.db2.gz OZVVCYBPKQIYAS-HNAYVOBHSA-N 1 2 339.439 3.568 20 0 EHADLO CCOC(=O)c1nc(C[NH+]2CCC(C)(c3ccccc3)CC2)cs1 ZINC000153888775 1125671829 /nfs/dbraw/zinc/67/18/29/1125671829.db2.gz BSNMEFPDCOPDKP-UHFFFAOYSA-N 1 2 344.480 3.874 20 0 EHADLO FC(F)(F)c1cc(C[NH2+]Cc2nc(Br)c[nH]2)cs1 ZINC000922295236 1129447882 /nfs/dbraw/zinc/44/78/82/1129447882.db2.gz JPJLCUAQHALAOY-UHFFFAOYSA-N 1 2 340.168 3.542 20 0 EHADLO C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(C)(C)C ZINC000734444481 1131236930 /nfs/dbraw/zinc/23/69/30/1131236930.db2.gz CHUBWXWKVVPQIS-RDJZCZTQSA-N 1 2 334.529 3.575 20 0 EHADLO CC1(C)C[NH+](CC(=O)NC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000622561871 1126718985 /nfs/dbraw/zinc/71/89/85/1126718985.db2.gz WAYLKQZDILAUNK-UHFFFAOYSA-N 1 2 341.282 3.831 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](CCO)c1ccco1 ZINC000185095206 1126757233 /nfs/dbraw/zinc/75/72/33/1126757233.db2.gz FMSXQNDCRSGVKK-MRXNPFEDSA-N 1 2 345.830 3.640 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000171922502 1126769971 /nfs/dbraw/zinc/76/99/71/1126769971.db2.gz QCVMWRHQHMJTJJ-IBGZPJMESA-N 1 2 331.456 3.714 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000447829843 1126819844 /nfs/dbraw/zinc/81/98/44/1126819844.db2.gz HKMLCZSONHAILV-KZNAEPCWSA-N 1 2 346.519 3.914 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1nc(C(C)(C)C)no1 ZINC000173199427 1126826328 /nfs/dbraw/zinc/82/63/28/1126826328.db2.gz DEPUZVGKHPHNIE-ZIAGYGMSSA-N 1 2 339.443 3.965 20 0 EHADLO C[C@@H]([NH2+]CCc1nccs1)c1cc(Br)cc(F)c1O ZINC000185248149 1126837260 /nfs/dbraw/zinc/83/72/60/1126837260.db2.gz LKYVYXDFFLJUBD-MRVPVSSYSA-N 1 2 345.237 3.644 20 0 EHADLO Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c2[nH+]ccn2c1 ZINC000623168380 1126887590 /nfs/dbraw/zinc/88/75/90/1126887590.db2.gz PVSLILVDNWHKOO-CQSZACIVSA-N 1 2 326.371 3.864 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)o1 ZINC000623256594 1126903860 /nfs/dbraw/zinc/90/38/60/1126903860.db2.gz BPOIVXKJJKBGKO-RHSMWYFYSA-N 1 2 327.428 3.571 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000344886617 1126916629 /nfs/dbraw/zinc/91/66/29/1126916629.db2.gz HHXZFKZBGOFOPH-HXOBKFHXSA-N 1 2 333.453 3.501 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000344886617 1126916633 /nfs/dbraw/zinc/91/66/33/1126916633.db2.gz HHXZFKZBGOFOPH-HXOBKFHXSA-N 1 2 333.453 3.501 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623398931 1126944355 /nfs/dbraw/zinc/94/43/55/1126944355.db2.gz SIQNHMCPKUYPIT-UHFFFAOYSA-N 1 2 343.296 3.816 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCC1(Cc2ccccc2)CCC1 ZINC000177973086 1127003646 /nfs/dbraw/zinc/00/36/46/1127003646.db2.gz XJFYBEKXTCJRNE-UHFFFAOYSA-N 1 2 348.450 3.547 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000623659675 1127008244 /nfs/dbraw/zinc/00/82/44/1127008244.db2.gz IAMPAACFDOZVPF-LEWJYISDSA-N 1 2 345.446 3.660 20 0 EHADLO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000178111064 1127008544 /nfs/dbraw/zinc/00/85/44/1127008544.db2.gz BUZQZVQLWCELKU-DOMZBBRYSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000178111064 1127008547 /nfs/dbraw/zinc/00/85/47/1127008547.db2.gz BUZQZVQLWCELKU-DOMZBBRYSA-N 1 2 345.270 3.557 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3nccn3CC(F)(F)F)CCC2)c(F)c1 ZINC000179394118 1127061418 /nfs/dbraw/zinc/06/14/18/1127061418.db2.gz LEFGQRFMZHZGKL-UHFFFAOYSA-N 1 2 345.315 3.893 20 0 EHADLO CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179460162 1127065226 /nfs/dbraw/zinc/06/52/26/1127065226.db2.gz RMPCLKKSNOOLPJ-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000179740204 1127085156 /nfs/dbraw/zinc/08/51/56/1127085156.db2.gz GHVYUNJSVNFBPC-CQSZACIVSA-N 1 2 327.384 3.969 20 0 EHADLO Fc1ccc([C@@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)cc1Cl ZINC000180017649 1127110796 /nfs/dbraw/zinc/11/07/96/1127110796.db2.gz YOMVWJQMNGGTHT-KRWDZBQOSA-N 1 2 345.805 3.700 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cccc2[nH+]ccn21 ZINC000180229513 1127135038 /nfs/dbraw/zinc/13/50/38/1127135038.db2.gz MIYZXNPFHVFHJL-KSSFIOAISA-N 1 2 341.842 3.950 20 0 EHADLO OC[C@@H]([NH2+][C@@H]1CCCc2scnc21)c1ccc(C(F)(F)F)cc1 ZINC000623925346 1127218271 /nfs/dbraw/zinc/21/82/71/1127218271.db2.gz CADATKADJYFKLA-CHWSQXEVSA-N 1 2 342.386 3.863 20 0 EHADLO Fc1cccc2nc(N3CCC(CCCn4cc[nH+]c4)CC3)oc21 ZINC000624096801 1127249798 /nfs/dbraw/zinc/24/97/98/1127249798.db2.gz IAEIVVHEMLMRFG-UHFFFAOYSA-N 1 2 328.391 3.860 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181199221 1127269632 /nfs/dbraw/zinc/26/96/32/1127269632.db2.gz BXORMCPDINXLEH-FUHWJXTLSA-N 1 2 343.471 3.916 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)c(Br)c2)s1 ZINC000355359849 1127283759 /nfs/dbraw/zinc/28/37/59/1127283759.db2.gz CMRWTSTTWATBRC-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO c1cn2c(cccc2CNc2nnc(CCCc3ccccc3)o2)[nH+]1 ZINC000181840292 1127298880 /nfs/dbraw/zinc/29/88/80/1127298880.db2.gz HEKGTTVGLJLQFR-UHFFFAOYSA-N 1 2 333.395 3.505 20 0 EHADLO Fc1cccc2[nH]c(=N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)oc21 ZINC000624220181 1127315325 /nfs/dbraw/zinc/31/53/25/1127315325.db2.gz LWYQSHMMZYRBET-JOCQHMNTSA-N 1 2 326.375 3.619 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](CCc2ccccc2)C(F)F)cc(C)[nH+]1 ZINC000624222859 1127319213 /nfs/dbraw/zinc/31/92/13/1127319213.db2.gz HPQJNVOTFOWLCM-KRWDZBQOSA-N 1 2 347.409 3.764 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000186139347 1127329091 /nfs/dbraw/zinc/32/90/91/1127329091.db2.gz FINPBXDHRBPOJJ-CYBMUJFWSA-N 1 2 348.537 3.933 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000182683176 1127343077 /nfs/dbraw/zinc/34/30/77/1127343077.db2.gz QBBSKASTTHCXJH-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000182683176 1127343081 /nfs/dbraw/zinc/34/30/81/1127343081.db2.gz QBBSKASTTHCXJH-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000182729047 1127345450 /nfs/dbraw/zinc/34/54/50/1127345450.db2.gz XGINMGISVFKCGC-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000182729047 1127345455 /nfs/dbraw/zinc/34/54/55/1127345455.db2.gz XGINMGISVFKCGC-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(C)o1 ZINC000183309164 1127371597 /nfs/dbraw/zinc/37/15/97/1127371597.db2.gz QRZJBTWDYDIPLG-UHFFFAOYSA-N 1 2 342.420 3.687 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@H](CO)c2ccccc2)cs1 ZINC000183648263 1127383210 /nfs/dbraw/zinc/38/32/10/1127383210.db2.gz ABENZEGROJSVFF-QGZVFWFLSA-N 1 2 340.448 3.642 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)n1 ZINC000184138485 1127395626 /nfs/dbraw/zinc/39/56/26/1127395626.db2.gz GICICEJLIKWFRK-RHSMWYFYSA-N 1 2 331.485 3.616 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)NCCc2ccc(C(C)C)cc2)n1 ZINC000184209848 1127398332 /nfs/dbraw/zinc/39/83/32/1127398332.db2.gz AFWSJVNMPQDTDU-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO CNC(=O)c1cccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184449551 1127404703 /nfs/dbraw/zinc/40/47/03/1127404703.db2.gz MKEOZQFBNUVMNH-GFCCVEGCSA-N 1 2 331.485 3.651 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184475444 1127405850 /nfs/dbraw/zinc/40/58/50/1127405850.db2.gz RZFVXQQHJCISLC-AWEZNQCLSA-N 1 2 345.512 3.716 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184481673 1127405934 /nfs/dbraw/zinc/40/59/34/1127405934.db2.gz RLPRJWCKGOXLNF-CQSZACIVSA-N 1 2 345.512 3.716 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cs1 ZINC000184706497 1127411991 /nfs/dbraw/zinc/41/19/91/1127411991.db2.gz XJACNICZLJSORB-LLVKDONJSA-N 1 2 337.514 3.982 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2CC)o1 ZINC000184858660 1127415146 /nfs/dbraw/zinc/41/51/46/1127415146.db2.gz ZUCNAKRBBWBVSB-RDTXWAMCSA-N 1 2 344.455 3.709 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1nccs1 ZINC000185109210 1127420733 /nfs/dbraw/zinc/42/07/33/1127420733.db2.gz PIFGKFPTCXIUFC-LLVKDONJSA-N 1 2 327.812 3.615 20 0 EHADLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1F ZINC000185722941 1127430761 /nfs/dbraw/zinc/43/07/61/1127430761.db2.gz ANKFUKRRTBZQOZ-UHFFFAOYSA-N 1 2 345.805 3.721 20 0 EHADLO COc1cc(CNc2nc(N)c3ccccc3[nH+]2)ccc1OC(C)C ZINC000764110626 1127444195 /nfs/dbraw/zinc/44/41/95/1127444195.db2.gz LYNISXDOMFVCNP-UHFFFAOYSA-N 1 2 338.411 3.620 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccnn2C2CCCC2)n1 ZINC000765008479 1127563961 /nfs/dbraw/zinc/56/39/61/1127563961.db2.gz DETREHDCKNQXST-UHFFFAOYSA-N 1 2 347.488 3.549 20 0 EHADLO Cc1ccc([C@@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765051357 1127567070 /nfs/dbraw/zinc/56/70/70/1127567070.db2.gz DSMFRYBSXUMGEO-KRWDZBQOSA-N 1 2 332.241 3.807 20 0 EHADLO Cc1ccc([C@@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765051357 1127567073 /nfs/dbraw/zinc/56/70/73/1127567073.db2.gz DSMFRYBSXUMGEO-KRWDZBQOSA-N 1 2 332.241 3.807 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000888314928 1127644398 /nfs/dbraw/zinc/64/43/98/1127644398.db2.gz UTIKGJRRWUBVSW-HNNXBMFYSA-N 1 2 343.402 3.689 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000015547866 1127655113 /nfs/dbraw/zinc/65/51/13/1127655113.db2.gz FFKXMJIUDUMMFF-CYBMUJFWSA-N 1 2 348.899 3.680 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000015547866 1127655116 /nfs/dbraw/zinc/65/51/16/1127655116.db2.gz FFKXMJIUDUMMFF-CYBMUJFWSA-N 1 2 348.899 3.680 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000016563661 1127663339 /nfs/dbraw/zinc/66/33/39/1127663339.db2.gz OVVZDVVESXLKNR-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000016563661 1127663341 /nfs/dbraw/zinc/66/33/41/1127663341.db2.gz OVVZDVVESXLKNR-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO C[C@@H](C(=O)NCC1(c2cccc(F)c2)CCCCC1)n1cc[nH+]c1 ZINC000140962237 1127712774 /nfs/dbraw/zinc/71/27/74/1127712774.db2.gz VEXHJZYRRLAEAQ-HNNXBMFYSA-N 1 2 329.419 3.602 20 0 EHADLO Cc1ccc(Cl)c(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000765686369 1127723806 /nfs/dbraw/zinc/72/38/06/1127723806.db2.gz NMSMWPJYUZTXIW-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO Fc1cccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)oc21 ZINC000351020557 1127757576 /nfs/dbraw/zinc/75/75/76/1127757576.db2.gz DLJNARGJZFBPMD-SWLSCSKDSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1cccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)oc21 ZINC000351020557 1127757579 /nfs/dbraw/zinc/75/75/79/1127757579.db2.gz DLJNARGJZFBPMD-SWLSCSKDSA-N 1 2 343.358 3.548 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2ccccc2o1 ZINC000026215483 1127770247 /nfs/dbraw/zinc/77/02/47/1127770247.db2.gz IGKVVTBYGRWWSZ-UHFFFAOYSA-N 1 2 345.402 3.650 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000027557156 1127781559 /nfs/dbraw/zinc/78/15/59/1127781559.db2.gz NIFWAJDOEMGGGQ-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000027557156 1127781563 /nfs/dbraw/zinc/78/15/63/1127781563.db2.gz NIFWAJDOEMGGGQ-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CCc1ccc2occ(C(=O)NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000671667921 1127796486 /nfs/dbraw/zinc/79/64/86/1127796486.db2.gz FASNFXBYWVUICY-UHFFFAOYSA-N 1 2 334.419 3.741 20 0 EHADLO CO[C@H](C[N@H+](C)Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000338548067 1127799987 /nfs/dbraw/zinc/79/99/87/1127799987.db2.gz VYZNETFUVDHPMR-HXUWFJFHSA-N 1 2 335.451 3.751 20 0 EHADLO CO[C@H](C[N@@H+](C)Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000338548067 1127799990 /nfs/dbraw/zinc/79/99/90/1127799990.db2.gz VYZNETFUVDHPMR-HXUWFJFHSA-N 1 2 335.451 3.751 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000029538495 1127802566 /nfs/dbraw/zinc/80/25/66/1127802566.db2.gz LUYBDJDRBJXWQP-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000029538495 1127802569 /nfs/dbraw/zinc/80/25/69/1127802569.db2.gz LUYBDJDRBJXWQP-HXUWFJFHSA-N 1 2 345.414 3.725 20 0 EHADLO Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000029691839 1127806099 /nfs/dbraw/zinc/80/60/99/1127806099.db2.gz GQVMXJABBZYDTN-UHFFFAOYSA-N 1 2 329.465 3.814 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000029951556 1127811877 /nfs/dbraw/zinc/81/18/77/1127811877.db2.gz KSVMQOSZHMENNB-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000030223937 1127815993 /nfs/dbraw/zinc/81/59/93/1127815993.db2.gz SLMHHOTWZJONOX-HNNXBMFYSA-N 1 2 336.407 3.974 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000030223937 1127815996 /nfs/dbraw/zinc/81/59/96/1127815996.db2.gz SLMHHOTWZJONOX-HNNXBMFYSA-N 1 2 336.407 3.974 20 0 EHADLO CCCn1c2ccccc2nc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030569852 1127821655 /nfs/dbraw/zinc/82/16/55/1127821655.db2.gz XXKAFWIJXPZJLR-UHFFFAOYSA-N 1 2 345.406 3.884 20 0 EHADLO CCC(CC)(CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186170602 1127840451 /nfs/dbraw/zinc/84/04/51/1127840451.db2.gz ZGXJYWBUKSMVSE-SNVBAGLBSA-N 1 2 348.256 3.743 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000042512496 1127893618 /nfs/dbraw/zinc/89/36/18/1127893618.db2.gz BAHUYGXZFMHTHJ-KGXGESDWSA-N 1 2 339.370 3.500 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000042532723 1127893866 /nfs/dbraw/zinc/89/38/66/1127893866.db2.gz NEUSCLCNZYVMAK-KRWDZBQOSA-N 1 2 333.435 3.610 20 0 EHADLO Cc1ccc(-c2nc(CN3CC[NH+](Cc4ccco4)CC3)co2)cc1 ZINC000043608933 1127923285 /nfs/dbraw/zinc/92/32/85/1127923285.db2.gz COTYQDMUGXKOFV-UHFFFAOYSA-N 1 2 337.423 3.561 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccccc1SC1CCCC1 ZINC000044328894 1127934885 /nfs/dbraw/zinc/93/48/85/1127934885.db2.gz MXILCNCVBSMPHS-UHFFFAOYSA-N 1 2 330.457 3.740 20 0 EHADLO CCCOc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000045014693 1127944326 /nfs/dbraw/zinc/94/43/26/1127944326.db2.gz QWDAFSDGEPKMFO-UHFFFAOYSA-N 1 2 349.434 3.650 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045716513 1127957929 /nfs/dbraw/zinc/95/79/29/1127957929.db2.gz WPCFGIFAMZASRZ-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO O=C(COc1ccc(F)cc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860201 1127962177 /nfs/dbraw/zinc/96/21/77/1127962177.db2.gz LAMLGYPLKJGHAR-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000046341806 1127976002 /nfs/dbraw/zinc/97/60/02/1127976002.db2.gz ASPIPYYZODWEEN-HUUCEWRRSA-N 1 2 342.414 3.687 20 0 EHADLO Fc1ccc(Cl)c(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362268 1127994418 /nfs/dbraw/zinc/99/44/18/1127994418.db2.gz IHEMHPCXXRWYFZ-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Fc1cc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001212362333 1127997101 /nfs/dbraw/zinc/99/71/01/1127997101.db2.gz KRDYILPJCLYGAU-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Fc1cc(Cl)cc(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362961 1128008034 /nfs/dbraw/zinc/00/80/34/1128008034.db2.gz XBPHNOWRRACJBU-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C(F)F)cc1 ZINC000338661772 1128010398 /nfs/dbraw/zinc/01/03/98/1128010398.db2.gz SNRSXHBHXXDPLK-UHFFFAOYSA-N 1 2 345.393 3.940 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895879 1128031399 /nfs/dbraw/zinc/03/13/99/1128031399.db2.gz CVJABTQHMDTVGD-KRWDZBQOSA-N 1 2 348.450 3.611 20 0 EHADLO Clc1ccnc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc12 ZINC001212366240 1128038465 /nfs/dbraw/zinc/03/84/65/1128038465.db2.gz IWKDAMAFTYAPJS-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)ccn1 ZINC000347544469 1128064513 /nfs/dbraw/zinc/06/45/13/1128064513.db2.gz SZCDDZNUZZNQTM-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO CCc1[nH]ncc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000058428645 1128068097 /nfs/dbraw/zinc/06/80/97/1128068097.db2.gz DFOXAIVFTBYRMS-UHFFFAOYSA-N 1 2 337.427 3.593 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1Cl ZINC000060046438 1128093489 /nfs/dbraw/zinc/09/34/89/1128093489.db2.gz XEQSIOOHVBIAES-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000139925045 1128093746 /nfs/dbraw/zinc/09/37/46/1128093746.db2.gz LCCXTXCYQWQKTM-MRXNPFEDSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)[C@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000139925045 1128093749 /nfs/dbraw/zinc/09/37/49/1128093749.db2.gz LCCXTXCYQWQKTM-MRXNPFEDSA-N 1 2 343.500 3.889 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060467216 1128103147 /nfs/dbraw/zinc/10/31/47/1128103147.db2.gz BTTTUMPCJOLIGL-LJQANCHMSA-N 1 2 347.466 3.925 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060467216 1128103148 /nfs/dbraw/zinc/10/31/48/1128103148.db2.gz BTTTUMPCJOLIGL-LJQANCHMSA-N 1 2 347.466 3.925 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000060677048 1128112109 /nfs/dbraw/zinc/11/21/09/1128112109.db2.gz ATBSCHFUKFUIPP-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cs1 ZINC000061051098 1128118669 /nfs/dbraw/zinc/11/86/69/1128118669.db2.gz YFKNUYJLNJGREP-UHFFFAOYSA-N 1 2 349.544 3.710 20 0 EHADLO O=C(c1cccc(F)c1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254473 1128132290 /nfs/dbraw/zinc/13/22/90/1128132290.db2.gz JECQBHPSPZDKFY-ZDUSSCGKSA-N 1 2 345.393 3.517 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)o1)NCCNc1cccc[nH+]1 ZINC000063707388 1128152807 /nfs/dbraw/zinc/15/28/07/1128152807.db2.gz QUUOIAIGBCGJHC-UHFFFAOYSA-N 1 2 335.407 3.503 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC2(CCC2)CC1 ZINC000671736544 1128164033 /nfs/dbraw/zinc/16/40/33/1128164033.db2.gz NHDRMUCXJKGRTA-UHFFFAOYSA-N 1 2 348.516 3.927 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000065603385 1128195938 /nfs/dbraw/zinc/19/59/38/1128195938.db2.gz ADTORIUZVIKNPU-UHFFFAOYSA-N 1 2 346.446 3.986 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000065603385 1128195939 /nfs/dbraw/zinc/19/59/39/1128195939.db2.gz ADTORIUZVIKNPU-UHFFFAOYSA-N 1 2 346.446 3.986 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C ZINC000067680670 1128246645 /nfs/dbraw/zinc/24/66/45/1128246645.db2.gz VQVMZMYUWRAPCQ-UHFFFAOYSA-N 1 2 335.407 3.831 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)no1 ZINC000067718590 1128248431 /nfs/dbraw/zinc/24/84/31/1128248431.db2.gz YRGKNPHHWHPJBN-UHFFFAOYSA-N 1 2 326.371 3.991 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671762975 1128251409 /nfs/dbraw/zinc/25/14/09/1128251409.db2.gz MUKQJRBVSOZTJS-ZETCQYMHSA-N 1 2 340.276 3.941 20 0 EHADLO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000186210705 1128222880 /nfs/dbraw/zinc/22/28/80/1128222880.db2.gz MKSZRQJIDCGDRK-BBBLOLIVSA-N 1 2 346.240 3.900 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3c3cc(C)no3)o2)cc1 ZINC000068474453 1128267868 /nfs/dbraw/zinc/26/78/68/1128267868.db2.gz LRBHDYACYFATKQ-INIZCTEOSA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3c3cc(C)no3)o2)cc1 ZINC000068474453 1128267869 /nfs/dbraw/zinc/26/78/69/1128267869.db2.gz LRBHDYACYFATKQ-INIZCTEOSA-N 1 2 339.395 3.984 20 0 EHADLO C[N@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc2c(c1)OCCO2 ZINC000067374983 1128240365 /nfs/dbraw/zinc/24/03/65/1128240365.db2.gz GLKFRSZNAWCMLP-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc2c(c1)OCCO2 ZINC000067374983 1128240366 /nfs/dbraw/zinc/24/03/66/1128240366.db2.gz GLKFRSZNAWCMLP-UHFFFAOYSA-N 1 2 342.420 3.806 20 0 EHADLO Cc1ccc(CCCCC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000069006554 1128280429 /nfs/dbraw/zinc/28/04/29/1128280429.db2.gz QNWHZBIBIUDKHM-UHFFFAOYSA-N 1 2 339.483 3.600 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCCNc1cccc[nH+]1 ZINC000073832237 1128329307 /nfs/dbraw/zinc/32/93/07/1128329307.db2.gz UGAJPGZZDDVHSG-UHFFFAOYSA-N 1 2 329.787 3.632 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000074179672 1128336633 /nfs/dbraw/zinc/33/66/33/1128336633.db2.gz MKNQMEMFGBSLRB-JKSUJKDBSA-N 1 2 343.496 3.927 20 0 EHADLO Cc1cccc(OCCN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000074224572 1128336775 /nfs/dbraw/zinc/33/67/75/1128336775.db2.gz GGDVKBWRZNJVDT-UHFFFAOYSA-N 1 2 349.434 3.640 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)C1(C)C ZINC000765808396 1128415996 /nfs/dbraw/zinc/41/59/96/1128415996.db2.gz HKNMKIDPQKSFCX-ATZDWAIDSA-N 1 2 332.488 3.916 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(F)(F)F ZINC000624528049 1128387261 /nfs/dbraw/zinc/38/72/61/1128387261.db2.gz ATZWNCMOEHHNPU-LLVKDONJSA-N 1 2 349.422 3.902 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)Cn1cc[nH+]c1 ZINC000153504384 1128436248 /nfs/dbraw/zinc/43/62/48/1128436248.db2.gz CVRQTDNMIJDOHV-CYBMUJFWSA-N 1 2 343.427 3.817 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H](O)CC(C)(C)C)cc2)[nH+]c1C ZINC000921653548 1128436265 /nfs/dbraw/zinc/43/62/65/1128436265.db2.gz GDYUYQBAISRXOT-INIZCTEOSA-N 1 2 329.444 3.819 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(C(C)C)nn3C)cc2)[nH+]c1C ZINC000921659396 1128439057 /nfs/dbraw/zinc/43/90/57/1128439057.db2.gz ABJWSRLWEJGYMT-UHFFFAOYSA-N 1 2 337.427 3.803 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C(F)(F)C3CCOCC3)cc2)[nH+]c1C ZINC000921659822 1128439283 /nfs/dbraw/zinc/43/92/83/1128439283.db2.gz OYYQKURURRDVKD-UHFFFAOYSA-N 1 2 349.381 3.694 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CCC3CCOCC3)cc2)[nH+]c1C ZINC000921661468 1128439610 /nfs/dbraw/zinc/43/96/10/1128439610.db2.gz NLLGQFJWMDOZNM-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO CCC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCOCC1 ZINC000921664104 1128441481 /nfs/dbraw/zinc/44/14/81/1128441481.db2.gz UFJWPFCECWMVOY-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO CCC(F)(F)C(C)(C)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000624696410 1128452082 /nfs/dbraw/zinc/45/20/82/1128452082.db2.gz QJFOAVOVCIHIQF-UHFFFAOYSA-N 1 2 342.434 3.644 20 0 EHADLO Fc1cc(Cl)cnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624703526 1128460187 /nfs/dbraw/zinc/46/01/87/1128460187.db2.gz KSXRXVGPHLVGQZ-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155742794 1128468718 /nfs/dbraw/zinc/46/87/18/1128468718.db2.gz HJDKNXYMRTZDJH-NWDGAFQWSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(C(F)(F)F)cs2)C12CCC2 ZINC000155742794 1128468721 /nfs/dbraw/zinc/46/87/21/1128468721.db2.gz HJDKNXYMRTZDJH-NWDGAFQWSA-N 1 2 334.407 3.941 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1nccc2ccccc21 ZINC000903341406 1128472669 /nfs/dbraw/zinc/47/26/69/1128472669.db2.gz OGDZVOYMDZXCIO-LLVKDONJSA-N 1 2 334.345 3.838 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000054446978 1128475158 /nfs/dbraw/zinc/47/51/58/1128475158.db2.gz FIWKMFIZGAMKSA-HXUWFJFHSA-N 1 2 348.446 3.512 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC=C(c3ccccc3)C1)C2 ZINC000671915403 1128488528 /nfs/dbraw/zinc/48/85/28/1128488528.db2.gz BLFZVVNLRMETKK-KRWDZBQOSA-N 1 2 349.478 3.954 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC=C(c3ccccc3)C1)CC2 ZINC000671915403 1128488530 /nfs/dbraw/zinc/48/85/30/1128488530.db2.gz BLFZVVNLRMETKK-KRWDZBQOSA-N 1 2 349.478 3.954 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000338680324 1128509599 /nfs/dbraw/zinc/50/95/99/1128509599.db2.gz ZWBGOICVRDZVRW-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cn1C ZINC000347652113 1128517417 /nfs/dbraw/zinc/51/74/17/1128517417.db2.gz PWUNFXWVXTWMBE-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cn1C ZINC000347652113 1128517418 /nfs/dbraw/zinc/51/74/18/1128517418.db2.gz PWUNFXWVXTWMBE-GFCCVEGCSA-N 1 2 343.452 3.614 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000347656759 1128518624 /nfs/dbraw/zinc/51/86/24/1128518624.db2.gz UDXPUWHXQARXCJ-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000347656759 1128518628 /nfs/dbraw/zinc/51/86/28/1128518628.db2.gz UDXPUWHXQARXCJ-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO C[NH+](C)[C@@H](CN[C@@H](c1ccccc1)c1cncnc1)c1ccsc1 ZINC000542674951 1128523160 /nfs/dbraw/zinc/52/31/60/1128523160.db2.gz YDMKKLMJOAKZOO-OALUTQOASA-N 1 2 338.480 3.520 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cs1 ZINC000055909898 1128537330 /nfs/dbraw/zinc/53/73/30/1128537330.db2.gz FKNHVLOCOVXEOS-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cs1 ZINC000055909898 1128537332 /nfs/dbraw/zinc/53/73/32/1128537332.db2.gz FKNHVLOCOVXEOS-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056629224 1128571307 /nfs/dbraw/zinc/57/13/07/1128571307.db2.gz WZKKIXAYFWEPMR-CALCHBBNSA-N 1 2 347.503 3.806 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056629224 1128571313 /nfs/dbraw/zinc/57/13/13/1128571313.db2.gz WZKKIXAYFWEPMR-CALCHBBNSA-N 1 2 347.503 3.806 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)c(C)c1OC ZINC000347661470 1128629882 /nfs/dbraw/zinc/62/98/82/1128629882.db2.gz YMFIURIVWQQEFZ-GFCCVEGCSA-N 1 2 343.383 3.506 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000172586794 1128667298 /nfs/dbraw/zinc/66/72/98/1128667298.db2.gz MCGKPBUJIUDVFU-INIZCTEOSA-N 1 2 329.419 3.698 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000172586794 1128667301 /nfs/dbraw/zinc/66/73/01/1128667301.db2.gz MCGKPBUJIUDVFU-INIZCTEOSA-N 1 2 329.419 3.698 20 0 EHADLO C[C@H]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000542850142 1128690106 /nfs/dbraw/zinc/69/01/06/1128690106.db2.gz IBMBKAHOVOEEIZ-JXFKEZNVSA-N 1 2 338.455 3.594 20 0 EHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000921736995 1128690174 /nfs/dbraw/zinc/69/01/74/1128690174.db2.gz PQEVFZNNMCKRPA-INIZCTEOSA-N 1 2 340.423 3.659 20 0 EHADLO CSCc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000109389102 1128730095 /nfs/dbraw/zinc/73/00/95/1128730095.db2.gz MJSLXCCWEZVCTG-UHFFFAOYSA-N 1 2 330.457 3.568 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269261818 1128755866 /nfs/dbraw/zinc/75/58/66/1128755866.db2.gz BLXZFZHHLCMVJO-YOEHRIQHSA-N 1 2 338.455 3.721 20 0 EHADLO CC(C)CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)C ZINC000172653319 1128771188 /nfs/dbraw/zinc/77/11/88/1128771188.db2.gz XEIXTOMCUCITIA-UHFFFAOYSA-N 1 2 332.423 3.587 20 0 EHADLO CC[NH2+]Cc1noc(C2(c3ccc(OCC(C)C)cc3)CCC2)n1 ZINC000843142362 1128779770 /nfs/dbraw/zinc/77/97/70/1128779770.db2.gz ZPWQHLZDIXEQTQ-UHFFFAOYSA-N 1 2 329.444 3.684 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672144774 1128798196 /nfs/dbraw/zinc/79/81/96/1128798196.db2.gz IHRORZRZZJGTCR-OAHLLOKOSA-N 1 2 337.448 3.665 20 0 EHADLO CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672148924 1128800792 /nfs/dbraw/zinc/80/07/92/1128800792.db2.gz AOMXFBLUUPFCEC-OFLPRAFFSA-N 1 2 331.504 3.947 20 0 EHADLO Cc1ccccc1C1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC000672150107 1128806062 /nfs/dbraw/zinc/80/60/62/1128806062.db2.gz GELJSBAQPYASNH-KRWDZBQOSA-N 1 2 337.467 3.525 20 0 EHADLO Cc1ccsc1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000338741616 1128810933 /nfs/dbraw/zinc/81/09/33/1128810933.db2.gz FQLPHMPJVOHHEC-CYBMUJFWSA-N 1 2 331.485 3.667 20 0 EHADLO Cc1ccsc1CN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000338741616 1128810937 /nfs/dbraw/zinc/81/09/37/1128810937.db2.gz FQLPHMPJVOHHEC-CYBMUJFWSA-N 1 2 331.485 3.667 20 0 EHADLO CCC[C@@H](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000110878117 1128814049 /nfs/dbraw/zinc/81/40/49/1128814049.db2.gz YRRSTNBIBPVOQC-MOPGFXCFSA-N 1 2 346.515 3.562 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338744201 1128817405 /nfs/dbraw/zinc/81/74/05/1128817405.db2.gz KXXMIFRCOPIOTM-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)F)cc1 ZINC000338747406 1128829088 /nfs/dbraw/zinc/82/90/88/1128829088.db2.gz CHUQEWNRSWADBG-UHFFFAOYSA-N 1 2 327.334 3.740 20 0 EHADLO c1cn(CCOc2ccccc2NCc2nccc3c2CCCC3)c[nH+]1 ZINC000921879582 1128870228 /nfs/dbraw/zinc/87/02/28/1128870228.db2.gz DLGYBOHSOHHWSE-UHFFFAOYSA-N 1 2 348.450 3.848 20 0 EHADLO Cc1cc(C)cc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001687145017 1120025056 /nfs/dbraw/zinc/02/50/56/1120025056.db2.gz GPOHPSHPJJFMCZ-HXUWFJFHSA-N 1 2 348.450 3.741 20 0 EHADLO C[C@H](Cc1ccco1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670366774 1120036163 /nfs/dbraw/zinc/03/61/63/1120036163.db2.gz VBLZMVHEVZKEKT-CYBMUJFWSA-N 1 2 338.411 3.647 20 0 EHADLO COc1cc(OC)c(CNc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001648864600 1120057487 /nfs/dbraw/zinc/05/74/87/1120057487.db2.gz UWPYVPHHVBMMHA-UHFFFAOYSA-N 1 2 327.359 3.641 20 0 EHADLO O=C(CNc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063648719 1128891264 /nfs/dbraw/zinc/89/12/64/1128891264.db2.gz DUIAPEQAMNSHMN-UHFFFAOYSA-N 1 2 344.777 3.715 20 0 EHADLO N#Cc1c(N)sc2c1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000125141390 1120187984 /nfs/dbraw/zinc/18/79/84/1120187984.db2.gz UIMBOBCLMDADLK-UHFFFAOYSA-N 1 2 337.370 3.779 20 0 EHADLO N#Cc1c(N)sc2c1CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000125141390 1120187987 /nfs/dbraw/zinc/18/79/87/1120187987.db2.gz UIMBOBCLMDADLK-UHFFFAOYSA-N 1 2 337.370 3.779 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1Br ZINC000251071850 1120231811 /nfs/dbraw/zinc/23/18/11/1120231811.db2.gz PQXYKFBHWMRHDG-UPJWGTAASA-N 1 2 339.277 3.957 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433963237 1120253484 /nfs/dbraw/zinc/25/34/84/1120253484.db2.gz WILRGUDKBPQMFW-INIZCTEOSA-N 1 2 346.519 3.933 20 0 EHADLO CC(C)[C@@H](CNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000672295070 1128908153 /nfs/dbraw/zinc/90/81/53/1128908153.db2.gz FAGKGZRWNQVXQS-QGZVFWFLSA-N 1 2 333.863 3.873 20 0 EHADLO C[C@H](CN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687424087 1120336116 /nfs/dbraw/zinc/33/61/16/1120336116.db2.gz NGTYLEPBCPWBSH-SJLPKXTDSA-N 1 2 342.487 3.948 20 0 EHADLO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000096659782 1120343585 /nfs/dbraw/zinc/34/35/85/1120343585.db2.gz VRNBZPPRDUHYRT-UHFFFAOYSA-N 1 2 336.432 3.781 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3sccc3Br)nc12 ZINC000185037424 1120397148 /nfs/dbraw/zinc/39/71/48/1120397148.db2.gz PQFNADYGGUZBKX-UHFFFAOYSA-N 1 2 336.258 3.757 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C ZINC000741148443 1120447171 /nfs/dbraw/zinc/44/71/71/1120447171.db2.gz QHRQPLOLFZKEPR-GOSISDBHSA-N 1 2 331.456 3.732 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C ZINC000741148443 1120447175 /nfs/dbraw/zinc/44/71/75/1120447175.db2.gz QHRQPLOLFZKEPR-GOSISDBHSA-N 1 2 331.456 3.732 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186340316 1120455851 /nfs/dbraw/zinc/45/58/51/1120455851.db2.gz KBIIRHWCQLCETR-INIZCTEOSA-N 1 2 347.455 3.638 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186340316 1120455853 /nfs/dbraw/zinc/45/58/53/1120455853.db2.gz KBIIRHWCQLCETR-INIZCTEOSA-N 1 2 347.455 3.638 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1OC(F)F ZINC000186539762 1120465402 /nfs/dbraw/zinc/46/54/02/1120465402.db2.gz XLHIGVCKRWSZPW-MFKMUULPSA-N 1 2 329.318 3.794 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(O)ccc1C(F)(F)F ZINC000338768592 1128920706 /nfs/dbraw/zinc/92/07/06/1128920706.db2.gz CHRSAQFTKDXZDJ-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000494236333 1120512897 /nfs/dbraw/zinc/51/28/97/1120512897.db2.gz CMOZJCFWQUDDFK-FYPAKXHLSA-N 1 2 333.439 3.759 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000494236333 1120512900 /nfs/dbraw/zinc/51/29/00/1120512900.db2.gz CMOZJCFWQUDDFK-FYPAKXHLSA-N 1 2 333.439 3.759 20 0 EHADLO Cc1nc(C(C)(C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000076476449 1128923128 /nfs/dbraw/zinc/92/31/28/1128923128.db2.gz CWROQUHCCYIQME-UHFFFAOYSA-N 1 2 340.452 3.611 20 0 EHADLO CCN(CC)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000031906826 1120564209 /nfs/dbraw/zinc/56/42/09/1120564209.db2.gz IRDGBJBIHBSHPY-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@@H]1C ZINC000189348592 1120579040 /nfs/dbraw/zinc/57/90/40/1120579040.db2.gz OXHKFTXJVRKWOD-DUVNUKRYSA-N 1 2 338.879 3.641 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@@H]1C ZINC000189348592 1120579042 /nfs/dbraw/zinc/57/90/42/1120579042.db2.gz OXHKFTXJVRKWOD-DUVNUKRYSA-N 1 2 338.879 3.641 20 0 EHADLO CCCC1CCC(N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000189592179 1120598687 /nfs/dbraw/zinc/59/86/87/1120598687.db2.gz VQRZUKOFPPDLLC-UHFFFAOYSA-N 1 2 328.460 3.835 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1cccc(N2CCOC2=O)c1 ZINC000494591206 1120686032 /nfs/dbraw/zinc/68/60/32/1120686032.db2.gz VGEQWWLJNLVNPY-UHFFFAOYSA-N 1 2 333.391 3.534 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000191888719 1120701919 /nfs/dbraw/zinc/70/19/19/1120701919.db2.gz RYSYMMNZESHOQW-QGZVFWFLSA-N 1 2 331.456 3.702 20 0 EHADLO Brc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cs1 ZINC000494649891 1120705456 /nfs/dbraw/zinc/70/54/56/1120705456.db2.gz BYLDVWKRTMEMAV-CYBMUJFWSA-N 1 2 330.291 3.902 20 0 EHADLO Brc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cs1 ZINC000494649891 1120705461 /nfs/dbraw/zinc/70/54/61/1120705461.db2.gz BYLDVWKRTMEMAV-CYBMUJFWSA-N 1 2 330.291 3.902 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000494645387 1120712725 /nfs/dbraw/zinc/71/27/25/1120712725.db2.gz CKTRTLZWQLAKPG-INIZCTEOSA-N 1 2 344.505 3.927 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(C(F)(F)F)cc1 ZINC000192785816 1120748611 /nfs/dbraw/zinc/74/86/11/1120748611.db2.gz JTKFBBIDUGAJJL-AWEZNQCLSA-N 1 2 342.365 3.641 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000193787445 1120799160 /nfs/dbraw/zinc/79/91/60/1120799160.db2.gz PFHBYZXNZMCRNW-SFHVURJKSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cnn1C(C)(C)C ZINC000194388289 1120840391 /nfs/dbraw/zinc/84/03/91/1120840391.db2.gz VIKOMFHLVVRSSG-UHFFFAOYSA-N 1 2 341.390 3.524 20 0 EHADLO Cc1ccc(SCC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1C ZINC000494872852 1120889710 /nfs/dbraw/zinc/88/97/10/1120889710.db2.gz HWAFWAJJSAHHDP-HNNXBMFYSA-N 1 2 346.462 3.964 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C(=O)OCc1ccccc1 ZINC001168473297 1120894379 /nfs/dbraw/zinc/89/43/79/1120894379.db2.gz BXWIFPWRLQWDAH-RBUKOAKNSA-N 1 2 347.499 3.675 20 0 EHADLO CC(C)C[NH+](CC(C)C)CN1C(=O)C(=O)c2c1c(F)ccc2Cl ZINC000914564949 1120901682 /nfs/dbraw/zinc/90/16/82/1120901682.db2.gz NNORHSYLVDJMIH-UHFFFAOYSA-N 1 2 340.826 3.580 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=S)o2)cs1 ZINC000914568426 1120903088 /nfs/dbraw/zinc/90/30/88/1120903088.db2.gz IBPAIVUWTZDVON-JTQLQIEISA-N 1 2 340.518 3.885 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=S)o2)cs1 ZINC000914568426 1120903090 /nfs/dbraw/zinc/90/30/90/1120903090.db2.gz IBPAIVUWTZDVON-JTQLQIEISA-N 1 2 340.518 3.885 20 0 EHADLO CN(C)c1nc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cs1 ZINC000157022822 1128948986 /nfs/dbraw/zinc/94/89/86/1128948986.db2.gz RFJUPEMBGUSECO-AWEZNQCLSA-N 1 2 337.876 3.866 20 0 EHADLO C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000494982323 1120922493 /nfs/dbraw/zinc/92/24/93/1120922493.db2.gz WBYQRKKZLVPVLX-OAHLLOKOSA-N 1 2 338.835 3.778 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000494982323 1120922497 /nfs/dbraw/zinc/92/24/97/1120922497.db2.gz WBYQRKKZLVPVLX-OAHLLOKOSA-N 1 2 338.835 3.778 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000495057365 1120941004 /nfs/dbraw/zinc/94/10/04/1120941004.db2.gz GDTWWQGQQFUHNY-OAHLLOKOSA-N 1 2 336.386 3.817 20 0 EHADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000495069475 1120945932 /nfs/dbraw/zinc/94/59/32/1120945932.db2.gz SOPYLRVNQXPVQI-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000495069475 1120945938 /nfs/dbraw/zinc/94/59/38/1120945938.db2.gz SOPYLRVNQXPVQI-UHFFFAOYSA-N 1 2 330.403 3.603 20 0 EHADLO O=C1[C@@H]([NH2+]Cc2c(F)cccc2F)CCN1c1cccc(Cl)c1 ZINC000761837154 1120980880 /nfs/dbraw/zinc/98/08/80/1120980880.db2.gz YBKCXWCWOCXFDD-INIZCTEOSA-N 1 2 336.769 3.513 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000451217931 1128956091 /nfs/dbraw/zinc/95/60/91/1128956091.db2.gz MYCHVHAJPROXKA-QRVBRYPASA-N 1 2 337.467 3.710 20 0 EHADLO CN(C)c1nc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000157047837 1128956753 /nfs/dbraw/zinc/95/67/53/1128956753.db2.gz IUFWXZWKVGHNGH-AWEZNQCLSA-N 1 2 337.876 3.866 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000232399237 1121112426 /nfs/dbraw/zinc/11/24/26/1121112426.db2.gz GEDKJLSRIZTMHK-UWVGGRQHSA-N 1 2 331.243 3.663 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000762550640 1121350834 /nfs/dbraw/zinc/35/08/34/1121350834.db2.gz ABRLZBFWQNXERS-UHFFFAOYSA-N 1 2 327.428 3.822 20 0 EHADLO CCCC[C@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001272624238 1121527048 /nfs/dbraw/zinc/52/70/48/1121527048.db2.gz MSVASNBGKSAMBS-HNNXBMFYSA-N 1 2 349.544 3.702 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)OCC(F)(F)F)c(C)c1 ZINC000495803387 1121532338 /nfs/dbraw/zinc/53/23/38/1121532338.db2.gz JOPOZILYMVNJFA-AWEZNQCLSA-N 1 2 341.333 3.530 20 0 EHADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000495853574 1121546345 /nfs/dbraw/zinc/54/63/45/1121546345.db2.gz ABQMEZFZTSTJTP-ZDUSSCGKSA-N 1 2 345.468 3.855 20 0 EHADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000495853574 1121546351 /nfs/dbraw/zinc/54/63/51/1121546351.db2.gz ABQMEZFZTSTJTP-ZDUSSCGKSA-N 1 2 345.468 3.855 20 0 EHADLO CC(C)CCCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000915675724 1121578361 /nfs/dbraw/zinc/57/83/61/1121578361.db2.gz ITIDHCDWRDWETK-UHFFFAOYSA-N 1 2 334.508 3.668 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749939275 1121628011 /nfs/dbraw/zinc/62/80/11/1121628011.db2.gz ONXFMRDGTRDGTN-CVEARBPZSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749939275 1121628016 /nfs/dbraw/zinc/62/80/16/1121628016.db2.gz ONXFMRDGTRDGTN-CVEARBPZSA-N 1 2 340.389 3.886 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075248730 1121714207 /nfs/dbraw/zinc/71/42/07/1121714207.db2.gz XGFVPKXGGQWVPG-KPKJPENVSA-N 1 2 326.484 3.814 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1C2CC3CC(C2)CC1C3 ZINC000053896828 1121725072 /nfs/dbraw/zinc/72/50/72/1121725072.db2.gz YYDAMHPNDPHDAT-UHFFFAOYSA-N 1 2 349.478 3.620 20 0 EHADLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000648863963 1121751895 /nfs/dbraw/zinc/75/18/95/1121751895.db2.gz GJEGESSAFAGNCW-VIFPVBQESA-N 1 2 325.771 3.533 20 0 EHADLO CC[C@@H](C)Oc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccn1 ZINC000347449468 1121769839 /nfs/dbraw/zinc/76/98/39/1121769839.db2.gz NOGCHSNTGNPIRA-CQSZACIVSA-N 1 2 336.395 3.697 20 0 EHADLO CC(C)Oc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055957709 1121893481 /nfs/dbraw/zinc/89/34/81/1121893481.db2.gz ZECZOSXTWIOVQH-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000011438489 1121928245 /nfs/dbraw/zinc/92/82/45/1121928245.db2.gz BYYTVDAPDXJLFK-SFHVURJKSA-N 1 2 334.460 3.833 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000011438489 1121928252 /nfs/dbraw/zinc/92/82/52/1121928252.db2.gz BYYTVDAPDXJLFK-SFHVURJKSA-N 1 2 334.460 3.833 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cs1 ZINC000171778569 1121934286 /nfs/dbraw/zinc/93/42/86/1121934286.db2.gz HWQLKPAJCTWTBH-UHFFFAOYSA-N 1 2 340.452 3.881 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccc1Cl ZINC000763335667 1121967505 /nfs/dbraw/zinc/96/75/05/1121967505.db2.gz XFWFBHUXZSBWDB-CYBMUJFWSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccc1Cl ZINC000763335667 1121967512 /nfs/dbraw/zinc/96/75/12/1121967512.db2.gz XFWFBHUXZSBWDB-CYBMUJFWSA-N 1 2 348.903 3.961 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916152898 1122074869 /nfs/dbraw/zinc/07/48/69/1122074869.db2.gz YLTSRFCRSUOCAA-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916152898 1122074876 /nfs/dbraw/zinc/07/48/76/1122074876.db2.gz YLTSRFCRSUOCAA-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000496712674 1122164538 /nfs/dbraw/zinc/16/45/38/1122164538.db2.gz NUCPBSGGNPTPMX-AAEUAGOBSA-N 1 2 337.489 3.508 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000496712674 1122164543 /nfs/dbraw/zinc/16/45/43/1122164543.db2.gz NUCPBSGGNPTPMX-AAEUAGOBSA-N 1 2 337.489 3.508 20 0 EHADLO Cc1[nH]c(CNc2cc(C)cc(CNC(=O)OC(C)(C)C)c2)[nH+]c1C ZINC000496750135 1122166992 /nfs/dbraw/zinc/16/69/92/1122166992.db2.gz VUTHYVAQOMSVJQ-UHFFFAOYSA-N 1 2 344.459 3.972 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000124425700 1122284871 /nfs/dbraw/zinc/28/48/71/1122284871.db2.gz BXWVKYMLGSQBRB-UHFFFAOYSA-N 1 2 333.435 3.966 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000125166784 1122308237 /nfs/dbraw/zinc/30/82/37/1122308237.db2.gz HOJDHVBKIIZNJX-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000125166784 1122308243 /nfs/dbraw/zinc/30/82/43/1122308243.db2.gz HOJDHVBKIIZNJX-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497103972 1122337140 /nfs/dbraw/zinc/33/71/40/1122337140.db2.gz AJHILRMESBEUNP-GFCCVEGCSA-N 1 2 344.415 3.574 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497103972 1122337146 /nfs/dbraw/zinc/33/71/46/1122337146.db2.gz AJHILRMESBEUNP-GFCCVEGCSA-N 1 2 344.415 3.574 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000324692300 1122365980 /nfs/dbraw/zinc/36/59/80/1122365980.db2.gz UKNITVRIIBVMAD-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)no1 ZINC000126406782 1122404474 /nfs/dbraw/zinc/40/44/74/1122404474.db2.gz KJFVCASWJCXHIT-QGZVFWFLSA-N 1 2 334.423 3.731 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)no1 ZINC000126406782 1122404479 /nfs/dbraw/zinc/40/44/79/1122404479.db2.gz KJFVCASWJCXHIT-QGZVFWFLSA-N 1 2 334.423 3.731 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127174554 1122467179 /nfs/dbraw/zinc/46/71/79/1122467179.db2.gz GHZPCMMMJZZKND-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127174554 1122467182 /nfs/dbraw/zinc/46/71/82/1122467182.db2.gz GHZPCMMMJZZKND-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127345065 1122478228 /nfs/dbraw/zinc/47/82/28/1122478228.db2.gz GQQNCZUVOUPIIJ-HXUWFJFHSA-N 1 2 327.424 3.543 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127345065 1122478230 /nfs/dbraw/zinc/47/82/30/1122478230.db2.gz GQQNCZUVOUPIIJ-HXUWFJFHSA-N 1 2 327.424 3.543 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127445402 1122484700 /nfs/dbraw/zinc/48/47/00/1122484700.db2.gz WDJVFGRGUAOYFP-HKUYNNGSSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127445402 1122484703 /nfs/dbraw/zinc/48/47/03/1122484703.db2.gz WDJVFGRGUAOYFP-HKUYNNGSSA-N 1 2 336.426 3.797 20 0 EHADLO CC[N@H+](Cc1ccccc1Oc1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000497483826 1122563051 /nfs/dbraw/zinc/56/30/51/1122563051.db2.gz UTGLTZYDRXILTG-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO CC[N@@H+](Cc1ccccc1Oc1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000497483826 1122563053 /nfs/dbraw/zinc/56/30/53/1122563053.db2.gz UTGLTZYDRXILTG-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO CCC[N@@H+](Cc1noc(-c2ccccc2C)n1)C[C@@H]1CCCCO1 ZINC000128338243 1122565896 /nfs/dbraw/zinc/56/58/96/1122565896.db2.gz MWYYYVNLNJWDEK-INIZCTEOSA-N 1 2 329.444 3.826 20 0 EHADLO CCC[N@H+](Cc1noc(-c2ccccc2C)n1)C[C@@H]1CCCCO1 ZINC000128338243 1122565897 /nfs/dbraw/zinc/56/58/97/1122565897.db2.gz MWYYYVNLNJWDEK-INIZCTEOSA-N 1 2 329.444 3.826 20 0 EHADLO COc1ccc(-c2cc(CO[NH+]=C(N)c3ccccc3C)on2)cc1 ZINC000917392865 1122590766 /nfs/dbraw/zinc/59/07/66/1122590766.db2.gz QVRPLHLHAVYRMR-UHFFFAOYSA-N 1 2 337.379 3.705 20 0 EHADLO S=c1n(C[N@H+](C2CC2)C2CCCCC2)nnn1-c1ccccc1 ZINC000917431590 1122606989 /nfs/dbraw/zinc/60/69/89/1122606989.db2.gz RKOJMLUGBZYOTC-UHFFFAOYSA-N 1 2 329.473 3.553 20 0 EHADLO S=c1n(C[N@@H+](C2CC2)C2CCCCC2)nnn1-c1ccccc1 ZINC000917431590 1122606992 /nfs/dbraw/zinc/60/69/92/1122606992.db2.gz RKOJMLUGBZYOTC-UHFFFAOYSA-N 1 2 329.473 3.553 20 0 EHADLO COc1cccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000497613984 1122609379 /nfs/dbraw/zinc/60/93/79/1122609379.db2.gz ZQJWFYLIFGPEOV-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO COC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000186509381 1129067007 /nfs/dbraw/zinc/06/70/07/1129067007.db2.gz CWRHRNZTZBIOCN-VIFPVBQESA-N 1 2 332.213 3.514 20 0 EHADLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000128806736 1122672100 /nfs/dbraw/zinc/67/21/00/1122672100.db2.gz NRHBYWXZRYWUQF-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000068830225 1122709588 /nfs/dbraw/zinc/70/95/88/1122709588.db2.gz UXTGGTXARBMKOP-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000068830225 1122709592 /nfs/dbraw/zinc/70/95/92/1122709592.db2.gz UXTGGTXARBMKOP-LBPRGKRZSA-N 1 2 325.250 3.510 20 0 EHADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(F)cc1 ZINC000069162733 1122754889 /nfs/dbraw/zinc/75/48/89/1122754889.db2.gz BOMDYIXCHCUNGK-IBGZPJMESA-N 1 2 338.382 3.681 20 0 EHADLO CCCc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000498117068 1122772849 /nfs/dbraw/zinc/77/28/49/1122772849.db2.gz LGPIZWQJNYYQJS-UHFFFAOYSA-N 1 2 347.462 3.856 20 0 EHADLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)[nH]1 ZINC000556082682 1122807700 /nfs/dbraw/zinc/80/77/00/1122807700.db2.gz QZXUGGALRRKQRZ-UHFFFAOYSA-N 1 2 334.423 3.557 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2nc3ccsc3s2)C1 ZINC000444905084 1122872511 /nfs/dbraw/zinc/87/25/11/1122872511.db2.gz SQGQYOOAWPNQPG-JTQLQIEISA-N 1 2 347.469 3.503 20 0 EHADLO Cc1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc[nH+]1 ZINC000170722160 1122900321 /nfs/dbraw/zinc/90/03/21/1122900321.db2.gz FBLRYNUAXZDEQI-UHFFFAOYSA-N 1 2 327.384 3.829 20 0 EHADLO Clc1ccc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)nc1 ZINC000130305863 1122930723 /nfs/dbraw/zinc/93/07/23/1122930723.db2.gz VFXZQGAQALMBHI-UHFFFAOYSA-N 1 2 348.903 3.781 20 0 EHADLO Cc1ccc(NC(=O)c2cc3sccc3nc2Cl)c(N(C)C)[nH+]1 ZINC001127451914 1122938590 /nfs/dbraw/zinc/93/85/90/1122938590.db2.gz HGHUUYSMNMRZPF-UHFFFAOYSA-N 1 2 346.843 3.971 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000445009079 1122954451 /nfs/dbraw/zinc/95/44/51/1122954451.db2.gz CEHDFFJRJUPZOD-IKGGRYGDSA-N 1 2 332.492 3.524 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000010139102 1122971111 /nfs/dbraw/zinc/97/11/11/1122971111.db2.gz WHRVNJSRSISGLG-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000010139102 1122971114 /nfs/dbraw/zinc/97/11/14/1122971114.db2.gz WHRVNJSRSISGLG-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)o1 ZINC000130784875 1122997901 /nfs/dbraw/zinc/99/79/01/1122997901.db2.gz PACOEUXDECHFRB-QGZVFWFLSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)o1 ZINC000130784875 1122997905 /nfs/dbraw/zinc/99/79/05/1122997905.db2.gz PACOEUXDECHFRB-QGZVFWFLSA-N 1 2 342.439 3.818 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000113951243 1129094345 /nfs/dbraw/zinc/09/43/45/1129094345.db2.gz IXUOIIFOMFNWGL-IFXJQAMLSA-N 1 2 341.455 3.696 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000556565426 1123038778 /nfs/dbraw/zinc/03/87/78/1123038778.db2.gz CINXVWQRWIUJJZ-BZUAXINKSA-N 1 2 348.437 3.648 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000556565426 1123038782 /nfs/dbraw/zinc/03/87/82/1123038782.db2.gz CINXVWQRWIUJJZ-BZUAXINKSA-N 1 2 348.437 3.648 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)o1 ZINC000131098020 1123040999 /nfs/dbraw/zinc/04/09/99/1123040999.db2.gz GMRUTFSWILLOBQ-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)o1 ZINC000131098020 1123041004 /nfs/dbraw/zinc/04/10/04/1123041004.db2.gz GMRUTFSWILLOBQ-SFHVURJKSA-N 1 2 342.439 3.818 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc2nccnc2c1)c1ccccc1 ZINC000089864797 1123057624 /nfs/dbraw/zinc/05/76/24/1123057624.db2.gz HTBQEOYXINWKOC-LJQANCHMSA-N 1 2 335.407 3.618 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000763437306 1123088233 /nfs/dbraw/zinc/08/82/33/1123088233.db2.gz MNIGAEZKRSPLNB-UXHICEINSA-N 1 2 343.467 3.803 20 0 EHADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000763437306 1123088235 /nfs/dbraw/zinc/08/82/35/1123088235.db2.gz MNIGAEZKRSPLNB-UXHICEINSA-N 1 2 343.467 3.803 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCC(C(F)F)CC1)C2 ZINC000556731532 1123098007 /nfs/dbraw/zinc/09/80/07/1123098007.db2.gz LTFXIAPMDISPRI-CPCZMJQVSA-N 1 2 339.430 3.578 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCC(C(F)F)CC1)CC2 ZINC000556731532 1123098011 /nfs/dbraw/zinc/09/80/11/1123098011.db2.gz LTFXIAPMDISPRI-CPCZMJQVSA-N 1 2 339.430 3.578 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000556752118 1123104966 /nfs/dbraw/zinc/10/49/66/1123104966.db2.gz IURZBMNIHGYQQI-JCKWVBRZSA-N 1 2 344.434 3.684 20 0 EHADLO COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000131449938 1123110976 /nfs/dbraw/zinc/11/09/76/1123110976.db2.gz YGYBPVMXBWKNFK-OAHLLOKOSA-N 1 2 335.407 3.698 20 0 EHADLO CC(C)CCc1noc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000072632366 1123134276 /nfs/dbraw/zinc/13/42/76/1123134276.db2.gz IZMHHGFTWRUJBD-GOSISDBHSA-N 1 2 343.471 3.530 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000072632366 1123134278 /nfs/dbraw/zinc/13/42/78/1123134278.db2.gz IZMHHGFTWRUJBD-GOSISDBHSA-N 1 2 343.471 3.530 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802071 1123160499 /nfs/dbraw/zinc/16/04/99/1123160499.db2.gz WPSSYQVIZLHAAH-CYBMUJFWSA-N 1 2 347.381 3.755 20 0 EHADLO CC1(C)CC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000072828268 1123165228 /nfs/dbraw/zinc/16/52/28/1123165228.db2.gz XXANPLJVPPSWSX-UHFFFAOYSA-N 1 2 339.464 3.884 20 0 EHADLO CC1(C)CC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000072828268 1123165229 /nfs/dbraw/zinc/16/52/29/1123165229.db2.gz XXANPLJVPPSWSX-UHFFFAOYSA-N 1 2 339.464 3.884 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000556884167 1123165378 /nfs/dbraw/zinc/16/53/78/1123165378.db2.gz FDOKKIHGXPQHRF-UMVBOHGHSA-N 1 2 337.876 3.632 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000132071914 1123199738 /nfs/dbraw/zinc/19/97/38/1123199738.db2.gz CVDZDNYNSGAJFU-KRWDZBQOSA-N 1 2 331.847 3.716 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000132071914 1123199741 /nfs/dbraw/zinc/19/97/41/1123199741.db2.gz CVDZDNYNSGAJFU-KRWDZBQOSA-N 1 2 331.847 3.716 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000132071696 1123199808 /nfs/dbraw/zinc/19/98/08/1123199808.db2.gz CVDZDNYNSGAJFU-QGZVFWFLSA-N 1 2 331.847 3.716 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000132071696 1123199810 /nfs/dbraw/zinc/19/98/10/1123199810.db2.gz CVDZDNYNSGAJFU-QGZVFWFLSA-N 1 2 331.847 3.716 20 0 EHADLO COc1ccc(C[N@H+](Cc2nnc(-c3ccccc3)n2C)C2CC2)cc1 ZINC000132101741 1123201733 /nfs/dbraw/zinc/20/17/33/1123201733.db2.gz KBGMJLATLKVTLU-UHFFFAOYSA-N 1 2 348.450 3.655 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)n2C)C2CC2)cc1 ZINC000132101741 1123201735 /nfs/dbraw/zinc/20/17/35/1123201735.db2.gz KBGMJLATLKVTLU-UHFFFAOYSA-N 1 2 348.450 3.655 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000132347435 1123220515 /nfs/dbraw/zinc/22/05/15/1123220515.db2.gz VRAOYKZSRWWLOU-HUUCEWRRSA-N 1 2 331.213 3.895 20 0 EHADLO CC(C)c1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000133297159 1123379042 /nfs/dbraw/zinc/37/90/42/1123379042.db2.gz NLMYSVHQCSXLHQ-OAHLLOKOSA-N 1 2 343.496 3.613 20 0 EHADLO CC(C)c1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000133297159 1123379047 /nfs/dbraw/zinc/37/90/47/1123379047.db2.gz NLMYSVHQCSXLHQ-OAHLLOKOSA-N 1 2 343.496 3.613 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2c[nH]nc2C(C)(C)C)C2CC2)c1 ZINC000133408246 1123391390 /nfs/dbraw/zinc/39/13/90/1123391390.db2.gz FKJXBJGWKQOFRG-UHFFFAOYSA-N 1 2 343.471 3.889 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C2CC2)c1 ZINC000133408246 1123391394 /nfs/dbraw/zinc/39/13/94/1123391394.db2.gz FKJXBJGWKQOFRG-UHFFFAOYSA-N 1 2 343.471 3.889 20 0 EHADLO Clc1ncsc1C[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001137824109 1129118987 /nfs/dbraw/zinc/11/89/87/1129118987.db2.gz YFDZCSVCUFZRGC-UHFFFAOYSA-N 1 2 344.267 3.888 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543026945 1129123274 /nfs/dbraw/zinc/12/32/74/1129123274.db2.gz PSQULHZXRYROMO-ZBFHGGJFSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543026945 1129123275 /nfs/dbraw/zinc/12/32/75/1129123275.db2.gz PSQULHZXRYROMO-ZBFHGGJFSA-N 1 2 342.405 3.792 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000921149664 1123472621 /nfs/dbraw/zinc/47/26/21/1123472621.db2.gz RMAJSOPQDHPYOC-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000921150531 1123473139 /nfs/dbraw/zinc/47/31/39/1123473139.db2.gz YXLXPVYDFHBPNN-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921146480 1123477052 /nfs/dbraw/zinc/47/70/52/1123477052.db2.gz BOZSMZMKQQGZNG-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO CCOCCC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000134023203 1123484929 /nfs/dbraw/zinc/48/49/29/1123484929.db2.gz NFHORYJHAHNWLZ-UHFFFAOYSA-N 1 2 341.455 3.589 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)on1 ZINC000134381388 1123520152 /nfs/dbraw/zinc/52/01/52/1123520152.db2.gz CAGLIUOZRIBNBB-CYBMUJFWSA-N 1 2 325.181 3.662 20 0 EHADLO CCCN(CCC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134717365 1123545773 /nfs/dbraw/zinc/54/57/73/1123545773.db2.gz IPRYEXKSSGVZMR-IAGOWNOFSA-N 1 2 339.430 3.542 20 0 EHADLO CCCN(CCC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134717365 1123545778 /nfs/dbraw/zinc/54/57/78/1123545778.db2.gz IPRYEXKSSGVZMR-IAGOWNOFSA-N 1 2 339.430 3.542 20 0 EHADLO O=C(CC1CCSCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000135457456 1123618007 /nfs/dbraw/zinc/61/80/07/1123618007.db2.gz DGLIJNIQYVCRHC-UHFFFAOYSA-N 1 2 335.860 3.998 20 0 EHADLO Cc1ccc(SCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000064440926 1123618832 /nfs/dbraw/zinc/61/88/32/1123618832.db2.gz INKJKTBDBBVLSF-INIZCTEOSA-N 1 2 331.485 3.515 20 0 EHADLO Nc1nc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)nc2ccccc12 ZINC000543032540 1129135544 /nfs/dbraw/zinc/13/55/44/1129135544.db2.gz RDUAFMREECYGSG-SFHVURJKSA-N 1 2 336.414 3.909 20 0 EHADLO Nc1nc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)nc2ccccc12 ZINC000543032540 1129135546 /nfs/dbraw/zinc/13/55/46/1129135546.db2.gz RDUAFMREECYGSG-SFHVURJKSA-N 1 2 336.414 3.909 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)s1 ZINC000079255747 1123681336 /nfs/dbraw/zinc/68/13/36/1123681336.db2.gz VNEZUOPPNXYWEC-UHFFFAOYSA-N 1 2 335.860 3.717 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000175705742 1123743034 /nfs/dbraw/zinc/74/30/34/1123743034.db2.gz JGFMRCWOVIGUMI-NXEZZACHSA-N 1 2 329.322 3.942 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cc(F)ccc1F ZINC000615333522 1123783119 /nfs/dbraw/zinc/78/31/19/1123783119.db2.gz DZVRTMAHEABSBN-VHSXEESVSA-N 1 2 340.320 3.921 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000245383428 1123807267 /nfs/dbraw/zinc/80/72/67/1123807267.db2.gz PGJKZCYMQYAZSJ-HIFRSBDPSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000245383428 1123807270 /nfs/dbraw/zinc/80/72/70/1123807270.db2.gz PGJKZCYMQYAZSJ-HIFRSBDPSA-N 1 2 331.485 3.594 20 0 EHADLO CC[C@@H](C)CCc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000564367167 1123913528 /nfs/dbraw/zinc/91/35/28/1123913528.db2.gz FDYNYHMDIADWKU-OAHLLOKOSA-N 1 2 329.444 3.548 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CCC2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690938 1123926359 /nfs/dbraw/zinc/92/63/59/1123926359.db2.gz OUSBZLQJJYBQCZ-IEBWSBKVSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CCC2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690938 1123926360 /nfs/dbraw/zinc/92/63/60/1123926360.db2.gz OUSBZLQJJYBQCZ-IEBWSBKVSA-N 1 2 336.426 3.797 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2c1 ZINC000245709775 1123934297 /nfs/dbraw/zinc/93/42/97/1123934297.db2.gz FTIZNPBMNQBUFI-DNVCBOLYSA-N 1 2 339.414 3.744 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246040935 1124005114 /nfs/dbraw/zinc/00/51/14/1124005114.db2.gz AKGRBBACGNRYAF-PKOBYXMFSA-N 1 2 346.833 3.583 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246040935 1124005118 /nfs/dbraw/zinc/00/51/18/1124005118.db2.gz AKGRBBACGNRYAF-PKOBYXMFSA-N 1 2 346.833 3.583 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)c(C)c2)C12CCC2 ZINC000180426440 1124006619 /nfs/dbraw/zinc/00/66/19/1124006619.db2.gz OWBKPQIEEPWHNO-RTBURBONSA-N 1 2 330.472 3.591 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000616998633 1124067563 /nfs/dbraw/zinc/06/75/63/1124067563.db2.gz RORQAGKYRIIREI-SNVBAGLBSA-N 1 2 345.270 3.549 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000616998633 1124067569 /nfs/dbraw/zinc/06/75/69/1124067569.db2.gz RORQAGKYRIIREI-SNVBAGLBSA-N 1 2 345.270 3.549 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2ccccc2C)c1C ZINC000499657894 1129174947 /nfs/dbraw/zinc/17/49/47/1129174947.db2.gz OPQNNBCSKVOEEU-UHFFFAOYSA-N 1 2 344.480 3.766 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000140213032 1124587085 /nfs/dbraw/zinc/58/70/85/1124587085.db2.gz DUUFDGVGQOZDJB-KRWDZBQOSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000140213032 1124587091 /nfs/dbraw/zinc/58/70/91/1124587091.db2.gz DUUFDGVGQOZDJB-KRWDZBQOSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(CC(C)C)c2)[C@@H](C)CO1 ZINC000248389914 1124655195 /nfs/dbraw/zinc/65/51/95/1124655195.db2.gz SQWKSVXBNYPLHH-PXNSSMCTSA-N 1 2 327.472 3.810 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(CC(C)C)c2)[C@@H](C)CO1 ZINC000248389914 1124655197 /nfs/dbraw/zinc/65/51/97/1124655197.db2.gz SQWKSVXBNYPLHH-PXNSSMCTSA-N 1 2 327.472 3.810 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C[C@H]1C ZINC000249109295 1124737281 /nfs/dbraw/zinc/73/72/81/1124737281.db2.gz QZEARMHPOCLRCX-CZUORRHYSA-N 1 2 345.468 3.518 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C[C@H]1C ZINC000249109295 1124737287 /nfs/dbraw/zinc/73/72/87/1124737287.db2.gz QZEARMHPOCLRCX-CZUORRHYSA-N 1 2 345.468 3.518 20 0 EHADLO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069393072 1124743825 /nfs/dbraw/zinc/74/38/25/1124743825.db2.gz SMUQGCLHBREOTI-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2=CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249462650 1124757407 /nfs/dbraw/zinc/75/74/07/1124757407.db2.gz FWIHVSYRCGMGPJ-DLBZAZTESA-N 1 2 336.838 3.841 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2=CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249462650 1124757411 /nfs/dbraw/zinc/75/74/11/1124757411.db2.gz FWIHVSYRCGMGPJ-DLBZAZTESA-N 1 2 336.838 3.841 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070501 1131306405 /nfs/dbraw/zinc/30/64/05/1131306405.db2.gz PLWBCKPPOQMHIB-GOSISDBHSA-N 1 2 336.863 3.541 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070501 1131306409 /nfs/dbraw/zinc/30/64/09/1131306409.db2.gz PLWBCKPPOQMHIB-GOSISDBHSA-N 1 2 336.863 3.541 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000090481325 1124915016 /nfs/dbraw/zinc/91/50/16/1124915016.db2.gz DEGCVBGFUXWMHD-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cn1 ZINC000449639737 1125020673 /nfs/dbraw/zinc/02/06/73/1125020673.db2.gz QHGZRPQSOKACNT-AWEZNQCLSA-N 1 2 325.334 3.766 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cn1 ZINC000449639737 1125020679 /nfs/dbraw/zinc/02/06/79/1125020679.db2.gz QHGZRPQSOKACNT-AWEZNQCLSA-N 1 2 325.334 3.766 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000618608651 1125122402 /nfs/dbraw/zinc/12/24/02/1125122402.db2.gz KQLJZSDXUDOKBT-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000618608651 1125122407 /nfs/dbraw/zinc/12/24/07/1125122407.db2.gz KQLJZSDXUDOKBT-UHFFFAOYSA-N 1 2 326.415 3.985 20 0 EHADLO Cc1ccc(CC2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000618890866 1125228730 /nfs/dbraw/zinc/22/87/30/1125228730.db2.gz HFNOUZDJHWLOBW-UHFFFAOYSA-N 1 2 345.446 3.555 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263936383 1125231704 /nfs/dbraw/zinc/23/17/04/1125231704.db2.gz FFOGULWBZPZJBF-MLGOLLRUSA-N 1 2 344.846 3.640 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1scnc1C ZINC000093363407 1125237210 /nfs/dbraw/zinc/23/72/10/1125237210.db2.gz NOQZNWHSZQWIMU-UHFFFAOYSA-N 1 2 337.876 3.956 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1scnc1C ZINC000093363407 1125237214 /nfs/dbraw/zinc/23/72/14/1125237214.db2.gz NOQZNWHSZQWIMU-UHFFFAOYSA-N 1 2 337.876 3.956 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N(Cc1ccccc1)C1CC1 ZINC000572552101 1125292511 /nfs/dbraw/zinc/29/25/11/1125292511.db2.gz DTSNFAXIVATRPM-UHFFFAOYSA-N 1 2 347.422 3.523 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114782118 1129193091 /nfs/dbraw/zinc/19/30/91/1129193091.db2.gz LZPCJRXRUZTVQO-ROUUACIJSA-N 1 2 346.519 3.685 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705233 1129213380 /nfs/dbraw/zinc/21/33/80/1129213380.db2.gz SUYZUAZSVZGYNE-OXQOHEQNSA-N 1 2 343.854 3.571 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CC1CCCCC1)c1ccccn1 ZINC000157593349 1129280764 /nfs/dbraw/zinc/28/07/64/1129280764.db2.gz VAPMLZLMYDLOPH-UHFFFAOYSA-N 1 2 326.444 3.672 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)no1 ZINC000067718598 1129299692 /nfs/dbraw/zinc/29/96/92/1129299692.db2.gz OLVNPGKAOODRMA-UHFFFAOYSA-N 1 2 330.819 3.729 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265833059 1129307007 /nfs/dbraw/zinc/30/70/07/1129307007.db2.gz TXCBPMRJKSNLNL-SFHVURJKSA-N 1 2 325.456 3.631 20 0 EHADLO Oc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc(C(F)(F)F)c1 ZINC000685843211 1129330974 /nfs/dbraw/zinc/33/09/74/1129330974.db2.gz QLFYFBPQKZQERS-LBPRGKRZSA-N 1 2 325.277 3.615 20 0 EHADLO Oc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc(C(F)(F)F)c1 ZINC000685843211 1129330978 /nfs/dbraw/zinc/33/09/78/1129330978.db2.gz QLFYFBPQKZQERS-LBPRGKRZSA-N 1 2 325.277 3.615 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000543209401 1129343463 /nfs/dbraw/zinc/34/34/63/1129343463.db2.gz MENQGHCAKRWLNV-ZDUSSCGKSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000543209401 1129343468 /nfs/dbraw/zinc/34/34/68/1129343468.db2.gz MENQGHCAKRWLNV-ZDUSSCGKSA-N 1 2 336.501 3.964 20 0 EHADLO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1Cl ZINC000357956757 1129349860 /nfs/dbraw/zinc/34/98/60/1129349860.db2.gz HEGVZXCPDFNYLU-UHFFFAOYSA-N 1 2 346.793 3.669 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000080437389 1129356021 /nfs/dbraw/zinc/35/60/21/1129356021.db2.gz ZCUCDJBNSMEVIH-IBGZPJMESA-N 1 2 335.382 3.989 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068407942 1129368772 /nfs/dbraw/zinc/36/87/72/1129368772.db2.gz FCQIPTTXZSKECU-HNNXBMFYSA-N 1 2 341.430 3.544 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000081317569 1129412984 /nfs/dbraw/zinc/41/29/84/1129412984.db2.gz UASHQCHWOJROFI-SFHVURJKSA-N 1 2 325.456 3.791 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000081317668 1129412999 /nfs/dbraw/zinc/41/29/99/1129412999.db2.gz WBTYPWJVEDSXJO-GOSISDBHSA-N 1 2 345.402 3.880 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000081317667 1129413067 /nfs/dbraw/zinc/41/30/67/1129413067.db2.gz WBTYPWJVEDSXJO-SFHVURJKSA-N 1 2 345.402 3.880 20 0 EHADLO Cc1cc(C)cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000673470686 1129442541 /nfs/dbraw/zinc/44/25/41/1129442541.db2.gz DISPUPAEEVIQGX-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347713616 1129470555 /nfs/dbraw/zinc/47/05/55/1129470555.db2.gz BTGQGNWKIVZJBV-INIZCTEOSA-N 1 2 331.423 3.513 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347713616 1129470556 /nfs/dbraw/zinc/47/05/56/1129470556.db2.gz BTGQGNWKIVZJBV-INIZCTEOSA-N 1 2 331.423 3.513 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccsc2C(F)(F)F)n1 ZINC000922487707 1129550114 /nfs/dbraw/zinc/55/01/14/1129550114.db2.gz VEKHVFIAOXYZCT-UHFFFAOYSA-N 1 2 335.420 3.575 20 0 EHADLO COc1cc(C)c(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000922521393 1129561080 /nfs/dbraw/zinc/56/10/80/1129561080.db2.gz UVDVGDLFDNFOIM-HNAYVOBHSA-N 1 2 331.387 3.574 20 0 EHADLO FC(F)COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521833 1129561388 /nfs/dbraw/zinc/56/13/88/1129561388.db2.gz YTUDDMWKHXCNOO-YJBOKZPZSA-N 1 2 337.341 3.892 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1OC1CC1 ZINC000922521689 1129561687 /nfs/dbraw/zinc/56/16/87/1129561687.db2.gz MIMXYBMXHFPQQT-OXJNMPFZSA-N 1 2 343.398 3.798 20 0 EHADLO C[C@H](CC(=O)OCc1ccc[nH+]c1N)c1ccc(Br)cc1 ZINC000922545123 1129569685 /nfs/dbraw/zinc/56/96/85/1129569685.db2.gz XYHUKUWEJJURSA-LLVKDONJSA-N 1 2 349.228 3.663 20 0 EHADLO CC(C)(C)Oc1cccc(COC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC000922555907 1129572318 /nfs/dbraw/zinc/57/23/18/1129572318.db2.gz AZQCDRIMQXXCTC-UHFFFAOYSA-N 1 2 328.412 3.517 20 0 EHADLO c1ccc(Oc2cccc(C[NH2+][C@@H](c3ncccn3)C3CC3)c2)nc1 ZINC000922573476 1129576083 /nfs/dbraw/zinc/57/60/83/1129576083.db2.gz BGZORZHMDBEPPH-LJQANCHMSA-N 1 2 332.407 3.905 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OCC ZINC000922583801 1129583090 /nfs/dbraw/zinc/58/30/90/1129583090.db2.gz WQFHLWMGHMBVDD-IBGZPJMESA-N 1 2 341.455 3.905 20 0 EHADLO Oc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1Br ZINC000922584441 1129586426 /nfs/dbraw/zinc/58/64/26/1129586426.db2.gz KTFLWMNYWXLFOF-INIZCTEOSA-N 1 2 333.229 3.791 20 0 EHADLO CCCCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000124470755 1129610130 /nfs/dbraw/zinc/61/01/30/1129610130.db2.gz NJBBYKJPOGYMRW-SJORKVTESA-N 1 2 328.460 3.845 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000624953765 1129626824 /nfs/dbraw/zinc/62/68/24/1129626824.db2.gz VCEJYMHKJZOPKH-UHFFFAOYSA-N 1 2 333.391 3.533 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC000624953293 1129627782 /nfs/dbraw/zinc/62/77/82/1129627782.db2.gz FQJWQOWICXMSGW-GFCCVEGCSA-N 1 2 340.254 3.718 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C(C)(C)C ZINC000922701113 1129632293 /nfs/dbraw/zinc/63/22/93/1129632293.db2.gz WIUZWRUCXFBKIW-INIZCTEOSA-N 1 2 332.492 3.882 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001168734113 1129649100 /nfs/dbraw/zinc/64/91/00/1129649100.db2.gz RRQOJOQSABJKPM-CABCVRRESA-N 1 2 347.422 3.536 20 0 EHADLO Fc1cncc(Br)c1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922875219 1129699534 /nfs/dbraw/zinc/69/95/34/1129699534.db2.gz IDSBCBGYRINGOI-CQSZACIVSA-N 1 2 336.208 3.545 20 0 EHADLO O=C(CCc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282408967 1129716319 /nfs/dbraw/zinc/71/63/19/1129716319.db2.gz SMJLEBTVZLUWLK-GOSISDBHSA-N 1 2 337.467 3.558 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H](C)CC(C)C ZINC000126257107 1129742360 /nfs/dbraw/zinc/74/23/60/1129742360.db2.gz ODMORWPJAVSNNB-INIZCTEOSA-N 1 2 332.488 3.838 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625214451 1129763673 /nfs/dbraw/zinc/76/36/73/1129763673.db2.gz UTCOGRLWRGCOPX-UHFFFAOYSA-N 1 2 329.400 3.783 20 0 EHADLO Clc1cccc2c1C[C@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001168739282 1129776036 /nfs/dbraw/zinc/77/60/36/1129776036.db2.gz NWUJLQZQPBRRER-AEFFLSMTSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1cccc2c1C[C@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001168739282 1129776040 /nfs/dbraw/zinc/77/60/40/1129776040.db2.gz NWUJLQZQPBRRER-AEFFLSMTSA-N 1 2 343.854 3.587 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625239834 1129776704 /nfs/dbraw/zinc/77/67/04/1129776704.db2.gz DGHNVDKHABKMCB-KRWDZBQOSA-N 1 2 335.407 3.929 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000625243568 1129779420 /nfs/dbraw/zinc/77/94/20/1129779420.db2.gz ZGPKISSVHAJYAK-AWEZNQCLSA-N 1 2 337.345 3.688 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CCCC34CCOCC4)cc2)CCO1 ZINC000282428634 1129789820 /nfs/dbraw/zinc/78/98/20/1129789820.db2.gz DALNVUADUQPUAB-APWZRJJASA-N 1 2 330.472 3.673 20 0 EHADLO CCc1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)no1 ZINC000673677801 1129793417 /nfs/dbraw/zinc/79/34/17/1129793417.db2.gz MFZYEUOVSQIVPN-UHFFFAOYSA-N 1 2 349.434 3.878 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625276609 1129798416 /nfs/dbraw/zinc/79/84/16/1129798416.db2.gz OFDUYZMGGBLQSD-ZWKOTPCHSA-N 1 2 341.430 3.723 20 0 EHADLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(Cl)c2cccnc12 ZINC000673711432 1129807574 /nfs/dbraw/zinc/80/75/74/1129807574.db2.gz DUEIWJKVLUZHAB-UHFFFAOYSA-N 1 2 337.814 3.563 20 0 EHADLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(Cl)c2cccnc12 ZINC000673711432 1129807578 /nfs/dbraw/zinc/80/75/78/1129807578.db2.gz DUEIWJKVLUZHAB-UHFFFAOYSA-N 1 2 337.814 3.563 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cn1 ZINC000347801211 1129821150 /nfs/dbraw/zinc/82/11/50/1129821150.db2.gz CPBCYKJGFKWMTQ-GOSISDBHSA-N 1 2 343.858 3.535 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cn1 ZINC000347801211 1129821157 /nfs/dbraw/zinc/82/11/57/1129821157.db2.gz CPBCYKJGFKWMTQ-GOSISDBHSA-N 1 2 343.858 3.535 20 0 EHADLO CN(C)c1nc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cs1 ZINC000673811032 1129856300 /nfs/dbraw/zinc/85/63/00/1129856300.db2.gz DKXSMJHHRQTDSE-UHFFFAOYSA-N 1 2 331.416 3.898 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)NCCCC2CCCCC2)cs1 ZINC000543506248 1129908610 /nfs/dbraw/zinc/90/86/10/1129908610.db2.gz XRBULKNVYSIFFD-CQSZACIVSA-N 1 2 337.533 3.833 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000625564760 1129927842 /nfs/dbraw/zinc/92/78/42/1129927842.db2.gz MNARTBPLIRMBHL-UHFFFAOYSA-N 1 2 347.409 3.570 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC3 ZINC000785472188 1129931550 /nfs/dbraw/zinc/93/15/50/1129931550.db2.gz LRKSZPTYTIMNPH-AWEZNQCLSA-N 1 2 343.471 3.748 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC3 ZINC000785472188 1129931554 /nfs/dbraw/zinc/93/15/54/1129931554.db2.gz LRKSZPTYTIMNPH-AWEZNQCLSA-N 1 2 343.471 3.748 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673989155 1129940530 /nfs/dbraw/zinc/94/05/30/1129940530.db2.gz IBUZFYPCYZHQJZ-GDBMZVCRSA-N 1 2 347.846 3.558 20 0 EHADLO CCOc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1OC ZINC000466630867 1129991394 /nfs/dbraw/zinc/99/13/94/1129991394.db2.gz LWEVRERFWLBBES-UHFFFAOYSA-N 1 2 345.830 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C/C=C/c3cccc(F)c3)[nH+]c12 ZINC000674099137 1130003472 /nfs/dbraw/zinc/00/34/72/1130003472.db2.gz MSZOBCDJTSHJIP-XVNBXDOJSA-N 1 2 337.398 3.544 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000674134113 1130014271 /nfs/dbraw/zinc/01/42/71/1130014271.db2.gz FXAAZZBGPIOXRM-JKSUJKDBSA-N 1 2 332.463 3.857 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]1 ZINC000674336966 1130068286 /nfs/dbraw/zinc/06/82/86/1130068286.db2.gz ZJNQBZISSJJYSK-CYBMUJFWSA-N 1 2 341.846 3.858 20 0 EHADLO COc1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)ccc1C(F)(F)F ZINC001128716336 1130083987 /nfs/dbraw/zinc/08/39/87/1130083987.db2.gz HJLBZJOPWGRSRB-UHFFFAOYSA-N 1 2 349.312 3.922 20 0 EHADLO Cc1ccc(C)c([C@@H]([NH2+]Cc2nnnn2C2CC2)c2ccccc2)c1 ZINC000674650014 1130163360 /nfs/dbraw/zinc/16/33/60/1130163360.db2.gz RJDSYWSHSKXZLK-FQEVSTJZSA-N 1 2 333.439 3.504 20 0 EHADLO CC(C)CC1(CNC(=O)NCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000674775319 1130190875 /nfs/dbraw/zinc/19/08/75/1130190875.db2.gz DZYGAYKGPKXYAA-UHFFFAOYSA-N 1 2 332.492 3.625 20 0 EHADLO CC[C@H]1CC[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC001128940359 1130244175 /nfs/dbraw/zinc/24/41/75/1130244175.db2.gz VZTMETAXDXYLIJ-WMZOPIPTSA-N 1 2 340.423 3.749 20 0 EHADLO CC[C@]1(C)CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675190226 1130279537 /nfs/dbraw/zinc/27/95/37/1130279537.db2.gz ATIZVHLITMHQQN-YLJYHZDGSA-N 1 2 340.471 3.536 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675258050 1130299186 /nfs/dbraw/zinc/29/91/86/1130299186.db2.gz QCCUYVYEHKLWMO-LPHOPBHVSA-N 1 2 325.456 3.805 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000675894314 1130496949 /nfs/dbraw/zinc/49/69/49/1130496949.db2.gz FFRKLVLYEVIQSP-AAEUAGOBSA-N 1 2 325.416 3.592 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3OCCc4ccccc43)ccc21 ZINC001129119974 1130506824 /nfs/dbraw/zinc/50/68/24/1130506824.db2.gz ICYHAHLENVTWSW-LJQANCHMSA-N 1 2 347.418 3.553 20 0 EHADLO CC(C)c1nnc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)s1 ZINC000675966680 1130511164 /nfs/dbraw/zinc/51/11/64/1130511164.db2.gz ONQNRUYPQZKKMO-UHFFFAOYSA-N 1 2 336.505 3.502 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C)n(C)n2)C(C)(C)C)c(OC)c1 ZINC000676041395 1130521465 /nfs/dbraw/zinc/52/14/65/1130521465.db2.gz DRNLVRDLNHHWGC-UHFFFAOYSA-N 1 2 331.460 3.546 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C)n(C)n2)C(C)(C)C)c(OC)c1 ZINC000676041395 1130521468 /nfs/dbraw/zinc/52/14/68/1130521468.db2.gz DRNLVRDLNHHWGC-UHFFFAOYSA-N 1 2 331.460 3.546 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676049581 1130524543 /nfs/dbraw/zinc/52/45/43/1130524543.db2.gz FQGBGLASXFCHST-LBPRGKRZSA-N 1 2 341.308 3.518 20 0 EHADLO CCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676135488 1130534531 /nfs/dbraw/zinc/53/45/31/1130534531.db2.gz FXTSGJIUAHVGHN-JCGIZDLHSA-N 1 2 326.444 3.600 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3sccc3s2)C1 ZINC000535282017 1130589326 /nfs/dbraw/zinc/58/93/26/1130589326.db2.gz SWRREKQITYHJOQ-CYBMUJFWSA-N 1 2 328.462 3.879 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3sccc3s2)C1 ZINC000535282017 1130589335 /nfs/dbraw/zinc/58/93/35/1130589335.db2.gz SWRREKQITYHJOQ-CYBMUJFWSA-N 1 2 328.462 3.879 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000536037434 1130591473 /nfs/dbraw/zinc/59/14/73/1130591473.db2.gz ZVHXKRFRWKJZHZ-MRXNPFEDSA-N 1 2 340.423 3.957 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000536037434 1130591475 /nfs/dbraw/zinc/59/14/75/1130591475.db2.gz ZVHXKRFRWKJZHZ-MRXNPFEDSA-N 1 2 340.423 3.957 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000727824856 1130597110 /nfs/dbraw/zinc/59/71/10/1130597110.db2.gz UOQPLDLXEKPINE-AWEZNQCLSA-N 1 2 329.473 3.643 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000727824856 1130597112 /nfs/dbraw/zinc/59/71/12/1130597112.db2.gz UOQPLDLXEKPINE-AWEZNQCLSA-N 1 2 329.473 3.643 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000727818045 1130600214 /nfs/dbraw/zinc/60/02/14/1130600214.db2.gz CWRUMESLIUOTLQ-MRXNPFEDSA-N 1 2 348.491 3.973 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000727818045 1130600217 /nfs/dbraw/zinc/60/02/17/1130600217.db2.gz CWRUMESLIUOTLQ-MRXNPFEDSA-N 1 2 348.491 3.973 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(COc2cccc(C)c2)oc1=S ZINC000727825357 1130601034 /nfs/dbraw/zinc/60/10/34/1130601034.db2.gz ZMUHKVLFZNGPEQ-AWEZNQCLSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(COc2cccc(C)c2)oc1=S ZINC000727825357 1130601037 /nfs/dbraw/zinc/60/10/37/1130601037.db2.gz ZMUHKVLFZNGPEQ-AWEZNQCLSA-N 1 2 333.457 3.925 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1csc2ccccc21 ZINC000730024571 1130664505 /nfs/dbraw/zinc/66/45/05/1130664505.db2.gz NYAOMARUCGKNOQ-CHWSQXEVSA-N 1 2 328.441 3.547 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730455022 1130712364 /nfs/dbraw/zinc/71/23/64/1130712364.db2.gz QWZJIQDBDHWSLQ-LBPRGKRZSA-N 1 2 346.789 3.834 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730455022 1130712367 /nfs/dbraw/zinc/71/23/67/1130712367.db2.gz QWZJIQDBDHWSLQ-LBPRGKRZSA-N 1 2 346.789 3.834 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cc(C)cc(C)c2)c1C ZINC000730581685 1130720022 /nfs/dbraw/zinc/72/00/22/1130720022.db2.gz ZRZUBXKUZAZKSP-INIZCTEOSA-N 1 2 341.455 3.884 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H]2CCCc3ccccc32)c1C ZINC000730967113 1130757067 /nfs/dbraw/zinc/75/70/67/1130757067.db2.gz RNXYGAWTBABRKN-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO COc1cc(C[N@H+](C)Cn2ccc(-c3ccsc3)n2)cc(OC)c1 ZINC000731659239 1130824357 /nfs/dbraw/zinc/82/43/57/1130824357.db2.gz SGIRRQDWFHTVPD-UHFFFAOYSA-N 1 2 343.452 3.718 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2ccc(-c3ccsc3)n2)cc(OC)c1 ZINC000731659239 1130824363 /nfs/dbraw/zinc/82/43/63/1130824363.db2.gz SGIRRQDWFHTVPD-UHFFFAOYSA-N 1 2 343.452 3.718 20 0 EHADLO CSCc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000731755044 1130841554 /nfs/dbraw/zinc/84/15/54/1130841554.db2.gz TZRLOOUTKGFOJE-INIZCTEOSA-N 1 2 346.500 3.983 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)oc1C ZINC000732209548 1130897157 /nfs/dbraw/zinc/89/71/57/1130897157.db2.gz MPHHRHUTGBUQCL-TYILLQQXSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)oc1C ZINC000732209548 1130897163 /nfs/dbraw/zinc/89/71/63/1130897163.db2.gz MPHHRHUTGBUQCL-TYILLQQXSA-N 1 2 343.423 3.725 20 0 EHADLO O=C(C[C@H]1CCc2ccccc2C1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732537312 1130932893 /nfs/dbraw/zinc/93/28/93/1130932893.db2.gz KIHXVUJIJAPDCO-SFHVURJKSA-N 1 2 345.446 3.684 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000732979345 1130977055 /nfs/dbraw/zinc/97/70/55/1130977055.db2.gz NDVFGQGMTXHWQJ-HNNXBMFYSA-N 1 2 333.505 3.851 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000732979345 1130977063 /nfs/dbraw/zinc/97/70/63/1130977063.db2.gz NDVFGQGMTXHWQJ-HNNXBMFYSA-N 1 2 333.505 3.851 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(C)o1 ZINC000732988172 1130979072 /nfs/dbraw/zinc/97/90/72/1130979072.db2.gz FDCBBEBIUIDWPY-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(C)o1 ZINC000732988172 1130979077 /nfs/dbraw/zinc/97/90/77/1130979077.db2.gz FDCBBEBIUIDWPY-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000733030241 1130983658 /nfs/dbraw/zinc/98/36/58/1130983658.db2.gz RNLNJUDPPQBKRL-OAHLLOKOSA-N 1 2 325.790 3.997 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000733030241 1130983662 /nfs/dbraw/zinc/98/36/62/1130983662.db2.gz RNLNJUDPPQBKRL-OAHLLOKOSA-N 1 2 325.790 3.997 20 0 EHADLO CCn1c(C)cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1C ZINC000733704543 1131071161 /nfs/dbraw/zinc/07/11/61/1131071161.db2.gz IQUGGECDTGHXMA-UHFFFAOYSA-N 1 2 344.455 3.634 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnc1SC(F)(F)F ZINC000733878900 1131089866 /nfs/dbraw/zinc/08/98/66/1131089866.db2.gz OWSMWAZQXQCLRT-UHFFFAOYSA-N 1 2 338.314 3.594 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000347977123 1131116331 /nfs/dbraw/zinc/11/63/31/1131116331.db2.gz LQDMWMMRUJSOPZ-QWHCGFSZSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000347977123 1131116335 /nfs/dbraw/zinc/11/63/35/1131116335.db2.gz LQDMWMMRUJSOPZ-QWHCGFSZSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@H]2CCCc3ccc(Br)cc32)n1 ZINC000348070213 1131138758 /nfs/dbraw/zinc/13/87/58/1131138758.db2.gz CZZANWHDDZMDMD-XPTSAGLGSA-N 1 2 336.233 3.869 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH2+]C3(c4ccccc4F)CC3)cc12 ZINC000736361044 1131418556 /nfs/dbraw/zinc/41/85/56/1131418556.db2.gz LHRJAIAAOPROIL-UHFFFAOYSA-N 1 2 344.821 3.848 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948820 1131490415 /nfs/dbraw/zinc/49/04/15/1131490415.db2.gz IDCWKZFQXZMHIW-GFCCVEGCSA-N 1 2 328.803 3.740 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc2ccccc2s1 ZINC000738950675 1131490877 /nfs/dbraw/zinc/49/08/77/1131490877.db2.gz HLCZMAWXKACYEU-NSHDSACASA-N 1 2 337.408 3.827 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)c1ccc(Cl)cc1 ZINC000741028844 1131571293 /nfs/dbraw/zinc/57/12/93/1131571293.db2.gz JLEILVPHQOZPHZ-ZIAGYGMSSA-N 1 2 337.847 3.719 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccc(Cl)cc1 ZINC000741028841 1131571785 /nfs/dbraw/zinc/57/17/85/1131571785.db2.gz JLEILVPHQOZPHZ-KBPBESRZSA-N 1 2 337.847 3.719 20 0 EHADLO CC(C)(C)C(=O)CC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000741157146 1131581468 /nfs/dbraw/zinc/58/14/68/1131581468.db2.gz UDHGYJBJYMEQSM-UHFFFAOYSA-N 1 2 344.286 3.516 20 0 EHADLO O=C(OCc1ccccc1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741354482 1131598730 /nfs/dbraw/zinc/59/87/30/1131598730.db2.gz RSYPAJIAXPUCEB-IBGZPJMESA-N 1 2 327.399 3.924 20 0 EHADLO O=C(OCc1ccccc1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741354482 1131598734 /nfs/dbraw/zinc/59/87/34/1131598734.db2.gz RSYPAJIAXPUCEB-IBGZPJMESA-N 1 2 327.399 3.924 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H](OC1CCCC1)c1ccccc1 ZINC000741740593 1131638724 /nfs/dbraw/zinc/63/87/24/1131638724.db2.gz UUMNMRDMQNZURA-LJQANCHMSA-N 1 2 335.407 3.973 20 0 EHADLO S=C(Nc1ccccc1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741873179 1131662495 /nfs/dbraw/zinc/66/24/95/1131662495.db2.gz COCKEEWSDGNQEV-KRWDZBQOSA-N 1 2 334.448 3.884 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000742051730 1131683498 /nfs/dbraw/zinc/68/34/98/1131683498.db2.gz AWMSPZYCWLIKLX-LBPRGKRZSA-N 1 2 335.448 3.866 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(C)sc3=S)C2)cc1 ZINC000742155897 1131693921 /nfs/dbraw/zinc/69/39/21/1131693921.db2.gz NKIFOCKKKLUXIS-HNNXBMFYSA-N 1 2 349.525 3.903 20 0 EHADLO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(C)sc3=S)C2)cc1 ZINC000742155897 1131693924 /nfs/dbraw/zinc/69/39/24/1131693924.db2.gz NKIFOCKKKLUXIS-HNNXBMFYSA-N 1 2 349.525 3.903 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000742157221 1131694915 /nfs/dbraw/zinc/69/49/15/1131694915.db2.gz PNMXDIUSVIWHGI-FQEVSTJZSA-N 1 2 337.467 3.615 20 0 EHADLO Cc1ccc([C@@H]2CCCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000742157221 1131694917 /nfs/dbraw/zinc/69/49/17/1131694917.db2.gz PNMXDIUSVIWHGI-FQEVSTJZSA-N 1 2 337.467 3.615 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1ccccc1OCC(F)(F)F ZINC000742461919 1131732540 /nfs/dbraw/zinc/73/25/40/1131732540.db2.gz JFAGHTXWTBOWKR-UHFFFAOYSA-N 1 2 338.329 3.983 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@H](C)CCOCC(C)C)c1nnc(C)o1 ZINC001172472866 1131734549 /nfs/dbraw/zinc/73/45/49/1131734549.db2.gz QYFMMROQNQKVAR-KDOFPFPSSA-N 1 2 347.459 3.517 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccn(C(C)C)n3)c2)[nH+]c1C ZINC000742577626 1131753432 /nfs/dbraw/zinc/75/34/32/1131753432.db2.gz JBWANKJHJMBBOQ-UHFFFAOYSA-N 1 2 337.427 3.652 20 0 EHADLO CCCCC[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000742581471 1131754144 /nfs/dbraw/zinc/75/41/44/1131754144.db2.gz SXAIFNWQKGKTGI-GOSISDBHSA-N 1 2 345.531 3.979 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539287 1131781343 /nfs/dbraw/zinc/78/13/43/1131781343.db2.gz FOEYFPQZUJWWBS-KURKYZTESA-N 1 2 335.513 3.987 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644655 1131798422 /nfs/dbraw/zinc/79/84/22/1131798422.db2.gz XAXDUMHUCILDPN-SFHVURJKSA-N 1 2 347.499 3.877 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724578 1131825385 /nfs/dbraw/zinc/82/53/85/1131825385.db2.gz WLKRLNXWUMMASE-SFHVURJKSA-N 1 2 330.472 3.648 20 0 EHADLO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172757940 1131836043 /nfs/dbraw/zinc/83/60/43/1131836043.db2.gz BXZIPRRQMPMJCT-GFCCVEGCSA-N 1 2 344.377 3.579 20 0 EHADLO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172757940 1131836050 /nfs/dbraw/zinc/83/60/50/1131836050.db2.gz BXZIPRRQMPMJCT-GFCCVEGCSA-N 1 2 344.377 3.579 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000743348435 1131905240 /nfs/dbraw/zinc/90/52/40/1131905240.db2.gz XJXVXBZRQFSELV-SFHVURJKSA-N 1 2 344.842 3.712 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000743348435 1131905246 /nfs/dbraw/zinc/90/52/46/1131905246.db2.gz XJXVXBZRQFSELV-SFHVURJKSA-N 1 2 344.842 3.712 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401416 1131913213 /nfs/dbraw/zinc/91/32/13/1131913213.db2.gz ZIMNZBURUGVCEN-KGLIPLIRSA-N 1 2 326.535 3.621 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401416 1131913220 /nfs/dbraw/zinc/91/32/20/1131913220.db2.gz ZIMNZBURUGVCEN-KGLIPLIRSA-N 1 2 326.535 3.621 20 0 EHADLO CN(C)c1nn(C[NH+]2CCC(C3CCCC3)CC2)c(=S)s1 ZINC000743377759 1131914461 /nfs/dbraw/zinc/91/44/61/1131914461.db2.gz PJHXFPXLJQRVLJ-UHFFFAOYSA-N 1 2 326.535 3.600 20 0 EHADLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(CC(F)(F)F)n1 ZINC001212694030 1131921709 /nfs/dbraw/zinc/92/17/09/1131921709.db2.gz GIWIMYPJOJVWTJ-UHFFFAOYSA-N 1 2 335.333 3.742 20 0 EHADLO COC(=O)[C@H]1CCc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212699865 1131934463 /nfs/dbraw/zinc/93/44/63/1131934463.db2.gz HWPQFHKVJNVILD-FQEVSTJZSA-N 1 2 347.418 3.878 20 0 EHADLO CCCCC[C@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743522745 1131936415 /nfs/dbraw/zinc/93/64/15/1131936415.db2.gz ZZNSKNXTYOAOAC-WMZOPIPTSA-N 1 2 342.487 3.972 20 0 EHADLO CC1(C)C(=O)Nc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212698530 1131936732 /nfs/dbraw/zinc/93/67/32/1131936732.db2.gz WVVQIFODHJUYAN-UHFFFAOYSA-N 1 2 332.407 3.905 20 0 EHADLO CCOC(=O)c1ccc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697747 1131937447 /nfs/dbraw/zinc/93/74/47/1131937447.db2.gz QWWDTFSKIJJGRA-UHFFFAOYSA-N 1 2 339.370 3.991 20 0 EHADLO CCCOC1CCC([N@@H+]2CCn3c(COCC)cnc3[C@@H]2C)CC1 ZINC001173097381 1131952653 /nfs/dbraw/zinc/95/26/53/1131952653.db2.gz FFOPJEJKYOALKU-HJOIGYKYSA-N 1 2 335.492 3.534 20 0 EHADLO CCCOC1CCC([N@H+]2CCn3c(COCC)cnc3[C@@H]2C)CC1 ZINC001173097381 1131952659 /nfs/dbraw/zinc/95/26/59/1131952659.db2.gz FFOPJEJKYOALKU-HJOIGYKYSA-N 1 2 335.492 3.534 20 0 EHADLO CCCC[C@@H](CC(C)C)[NH2+][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001173252508 1132019611 /nfs/dbraw/zinc/01/96/11/1132019611.db2.gz JCTCNSZACUGMLN-NEWSRXKRSA-N 1 2 335.488 3.674 20 0 EHADLO Cc1cccc(C)c1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001173875104 1132160782 /nfs/dbraw/zinc/16/07/82/1132160782.db2.gz KKYVKJVUTNSASH-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO COc1cc(OC)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1 ZINC001173909572 1132171162 /nfs/dbraw/zinc/17/11/62/1132171162.db2.gz VUGCEJJPNWDIDS-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000745097483 1132193694 /nfs/dbraw/zinc/19/36/94/1132193694.db2.gz DJZLARXRUDXAEH-GOSISDBHSA-N 1 2 340.379 3.671 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000745097483 1132193697 /nfs/dbraw/zinc/19/36/97/1132193697.db2.gz DJZLARXRUDXAEH-GOSISDBHSA-N 1 2 340.379 3.671 20 0 EHADLO Cc1nc(C)c(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000745105141 1132198593 /nfs/dbraw/zinc/19/85/93/1132198593.db2.gz RDYZPXUGUGDREF-KRWDZBQOSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nc(C)c(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000745105141 1132198598 /nfs/dbraw/zinc/19/85/98/1132198598.db2.gz RDYZPXUGUGDREF-KRWDZBQOSA-N 1 2 344.480 3.858 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc4c(ccn4C)c3)c[nH+]2)C[C@H](C)O1 ZINC001174096661 1132226384 /nfs/dbraw/zinc/22/63/84/1132226384.db2.gz JDNLBCIFJHGVHK-GASCZTMLSA-N 1 2 336.439 3.931 20 0 EHADLO O=C(c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1)N1CCCC1 ZINC001174068496 1132232422 /nfs/dbraw/zinc/23/24/22/1132232422.db2.gz MMVFYVUAWREDSD-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO c1cn(Cc2ccc(Nc3cnn(Cc4ccccc4)c3)cc2)c[nH+]1 ZINC001174133420 1132248427 /nfs/dbraw/zinc/24/84/27/1132248427.db2.gz OAOINSMOIVLKIT-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO Cc1cc(O)c[nH+]c1Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC001174202767 1132282847 /nfs/dbraw/zinc/28/28/47/1132282847.db2.gz RNHGIRKQTHTIJQ-UHFFFAOYSA-N 1 2 325.412 3.711 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccoc1 ZINC000745983558 1132342936 /nfs/dbraw/zinc/34/29/36/1132342936.db2.gz XWRNIMYWUWVEGR-INIZCTEOSA-N 1 2 341.455 3.729 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccoc1 ZINC000745983558 1132342943 /nfs/dbraw/zinc/34/29/43/1132342943.db2.gz XWRNIMYWUWVEGR-INIZCTEOSA-N 1 2 341.455 3.729 20 0 EHADLO Nc1cccc2c(Br)cn(-c3cc[nH+]c4[nH]ccc43)c21 ZINC001174412892 1132367525 /nfs/dbraw/zinc/36/75/25/1132367525.db2.gz SIVXGWZDRCONHR-UHFFFAOYSA-N 1 2 327.185 3.803 20 0 EHADLO O=S(=O)(c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1)C(F)(F)F ZINC001174415725 1132367827 /nfs/dbraw/zinc/36/78/27/1132367827.db2.gz SQNVBLLXCGQGHJ-UHFFFAOYSA-N 1 2 341.314 3.552 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cnn(CC3CC3)c2)cc[nH+]1 ZINC001174466603 1132378249 /nfs/dbraw/zinc/37/82/49/1132378249.db2.gz OPJFDMARHNFARL-UHFFFAOYSA-N 1 2 329.404 3.779 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000746286746 1132397701 /nfs/dbraw/zinc/39/77/01/1132397701.db2.gz FZSBQKZMVLESPC-ICSRJNTNSA-N 1 2 337.467 3.883 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)sc1-c1ccccc1 ZINC000746287123 1132398145 /nfs/dbraw/zinc/39/81/45/1132398145.db2.gz XXYMCMQUNRKFLK-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Clc1ccn2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)c2n1 ZINC001174523038 1132399884 /nfs/dbraw/zinc/39/98/84/1132399884.db2.gz DKMOWNJZLFLZMO-UHFFFAOYSA-N 1 2 328.807 3.512 20 0 EHADLO c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cn2c1nnc2C1CC1 ZINC001174522530 1132400212 /nfs/dbraw/zinc/40/02/12/1132400212.db2.gz QLCAJPPBKYWUAU-UHFFFAOYSA-N 1 2 334.427 3.736 20 0 EHADLO COCCOc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523263 1132400516 /nfs/dbraw/zinc/40/05/16/1132400516.db2.gz HNWWBSNJVGZKEX-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO Brc1ncccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523461 1132400725 /nfs/dbraw/zinc/40/07/25/1132400725.db2.gz ORTIHTDRDXVTFA-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO COC(=O)c1c(F)cccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524487 1132401096 /nfs/dbraw/zinc/40/10/96/1132401096.db2.gz LSUUHODJCJIQGV-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO CCCCc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000746324093 1132441873 /nfs/dbraw/zinc/44/18/73/1132441873.db2.gz WRKYKUWIXDBGOF-UHFFFAOYSA-N 1 2 338.442 3.831 20 0 EHADLO CCCCc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000746324093 1132441879 /nfs/dbraw/zinc/44/18/79/1132441879.db2.gz WRKYKUWIXDBGOF-UHFFFAOYSA-N 1 2 338.442 3.831 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC001174714619 1132450106 /nfs/dbraw/zinc/45/01/06/1132450106.db2.gz DQAOMHOPVHKGHO-QGZVFWFLSA-N 1 2 330.463 3.829 20 0 EHADLO CC(C)COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174727057 1132453163 /nfs/dbraw/zinc/45/31/63/1132453163.db2.gz ZOUVKCFFWFTEKU-RDTXWAMCSA-N 1 2 327.415 3.966 20 0 EHADLO CC(C)COc1cccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001174727057 1132453164 /nfs/dbraw/zinc/45/31/64/1132453164.db2.gz ZOUVKCFFWFTEKU-RDTXWAMCSA-N 1 2 327.415 3.966 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000193598978 1132481265 /nfs/dbraw/zinc/48/12/65/1132481265.db2.gz VKGMCTFHUIFVGC-UHFFFAOYSA-N 1 2 346.434 3.596 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000193598978 1132481270 /nfs/dbraw/zinc/48/12/70/1132481270.db2.gz VKGMCTFHUIFVGC-UHFFFAOYSA-N 1 2 346.434 3.596 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@H](C)[C@H](C)C3)c(=S)n2C)cc1 ZINC000766372843 1132526332 /nfs/dbraw/zinc/52/63/32/1132526332.db2.gz DSKZIZVXIOUGQQ-LSDHHAIUSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](C)[C@H](C)C3)c(=S)n2C)cc1 ZINC000766372843 1132526340 /nfs/dbraw/zinc/52/63/40/1132526340.db2.gz DSKZIZVXIOUGQQ-LSDHHAIUSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376289 1132526990 /nfs/dbraw/zinc/52/69/90/1132526990.db2.gz YIMNIWJMVDRQEO-ZFWWWQNUSA-N 1 2 330.501 3.956 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(=S)n1-c1ccccc1C ZINC000766376289 1132526995 /nfs/dbraw/zinc/52/69/95/1132526995.db2.gz YIMNIWJMVDRQEO-ZFWWWQNUSA-N 1 2 330.501 3.956 20 0 EHADLO Clc1ccnc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc12 ZINC001174979197 1132532730 /nfs/dbraw/zinc/53/27/30/1132532730.db2.gz FZLZJGOZFGCRDT-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1ccnc2c(Nc3ccc(N4CCOCC4)[nH+]c3)cccc12 ZINC001174978862 1132532897 /nfs/dbraw/zinc/53/28/97/1132532897.db2.gz CZDPYJGIWXOBRB-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1COc2ccc(Cl)cc21 ZINC000766427257 1132541551 /nfs/dbraw/zinc/54/15/51/1132541551.db2.gz LDUOMICFBUHKHX-CYBMUJFWSA-N 1 2 343.818 3.780 20 0 EHADLO Cc1cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)ccc1F ZINC001175252140 1132593987 /nfs/dbraw/zinc/59/39/87/1132593987.db2.gz SQHROYVJFXOZMN-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO CCCCOc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001175241987 1132605642 /nfs/dbraw/zinc/60/56/42/1132605642.db2.gz WKEWZFUEGZCVKV-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO C[N@@H+]1CCN(CCSCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001168931767 1132606939 /nfs/dbraw/zinc/60/69/39/1132606939.db2.gz JAUHQYJXKCEANS-HXUWFJFHSA-N 1 2 326.509 3.909 20 0 EHADLO C[N@H+]1CCN(CCSCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001168931767 1132606946 /nfs/dbraw/zinc/60/69/46/1132606946.db2.gz JAUHQYJXKCEANS-HXUWFJFHSA-N 1 2 326.509 3.909 20 0 EHADLO O=c1[nH]cc2[nH]c([NH2+]Cc3ccccc3OCc3ccccc3)ccc1-2 ZINC001168939531 1132610075 /nfs/dbraw/zinc/61/00/75/1132610075.db2.gz MESYAEQJOOMBOB-UHFFFAOYSA-N 1 2 345.402 3.516 20 0 EHADLO CN(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c[nH+]1 ZINC001175341404 1132626691 /nfs/dbraw/zinc/62/66/91/1132626691.db2.gz KGKAPCAZZPJSSL-UHFFFAOYSA-N 1 2 329.404 3.633 20 0 EHADLO COc1cccc(Nc2ccc(N(C)C)[nH+]c2)c1C(=O)C(F)(F)F ZINC001175344043 1132627571 /nfs/dbraw/zinc/62/75/71/1132627571.db2.gz OTQDZNOSXQDHPI-UHFFFAOYSA-N 1 2 339.317 3.645 20 0 EHADLO CC(C)(C)c1cc2ncc(Nc3ccc(N4CCCC4)[nH+]c3)cn2n1 ZINC001175347279 1132628998 /nfs/dbraw/zinc/62/89/98/1132628998.db2.gz GQYPOBHDVSVHRM-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn(C)nc1Br ZINC001169012904 1132631457 /nfs/dbraw/zinc/63/14/57/1132631457.db2.gz BRXKIKWGQJPHGW-OAHLLOKOSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(C)nc1Br ZINC001169012904 1132631460 /nfs/dbraw/zinc/63/14/60/1132631460.db2.gz BRXKIKWGQJPHGW-OAHLLOKOSA-N 1 2 334.261 3.520 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2ccc(N3CCCC3)[nH+]c2)c1OC ZINC001175351612 1132646082 /nfs/dbraw/zinc/64/60/82/1132646082.db2.gz KBPCXBYMTQCTRS-UHFFFAOYSA-N 1 2 341.411 3.645 20 0 EHADLO Brc1cc(Nc2cnc3cccnc3c2)c2[nH+]ccn2c1 ZINC001175353792 1132647663 /nfs/dbraw/zinc/64/76/63/1132647663.db2.gz KNUMKMZLIWESCV-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO COc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1F ZINC001175395259 1132658956 /nfs/dbraw/zinc/65/89/56/1132658956.db2.gz VWQAYOGHRBEMNO-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO CCCOc1cccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001175598646 1132707887 /nfs/dbraw/zinc/70/78/87/1132707887.db2.gz PAXCVXXOAXDKPR-UHFFFAOYSA-N 1 2 327.428 3.575 20 0 EHADLO Fc1c[nH]c2nc[nH+]c(NCCc3ccc(OC(F)(F)F)cc3)c12 ZINC001169348329 1132727338 /nfs/dbraw/zinc/72/73/38/1132727338.db2.gz NUDTXDMFCDHKRC-UHFFFAOYSA-N 1 2 340.280 3.602 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713795 1132740409 /nfs/dbraw/zinc/74/04/09/1132740409.db2.gz MPUORWULKOBOMJ-UHFFFAOYSA-N 1 2 339.317 3.532 20 0 EHADLO Cc1c(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc2c1OCCO2 ZINC001175716390 1132741318 /nfs/dbraw/zinc/74/13/18/1132741318.db2.gz KXFMOHSRLFONIE-UHFFFAOYSA-N 1 2 325.290 3.506 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(O)cc2Br)c[nH+]1 ZINC001175715129 1132741758 /nfs/dbraw/zinc/74/17/58/1132741758.db2.gz KPJFTKKVPWBYKA-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO COC(=O)c1c(Cl)cccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716499 1132742746 /nfs/dbraw/zinc/74/27/46/1132742746.db2.gz VMWXUYCYLLUFAF-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCc1ccsc1 ZINC001175749021 1132752350 /nfs/dbraw/zinc/75/23/50/1132752350.db2.gz KWJNGCKUJWGERF-GOSISDBHSA-N 1 2 335.444 3.584 20 0 EHADLO Cc1cc([NH2+]C[C@H](C)c2ccc(O)cc2)ccc1N1CCOCC1 ZINC001169544689 1132788842 /nfs/dbraw/zinc/78/88/42/1132788842.db2.gz ARQCJUNCYSDCFY-INIZCTEOSA-N 1 2 326.440 3.753 20 0 EHADLO CCCc1cc(N[C@@H]2CCc3ccccc3[C@H]2O)nc(CCC)[nH+]1 ZINC001169620784 1132798383 /nfs/dbraw/zinc/79/83/83/1132798383.db2.gz BZKFJGLEKWBZEK-YLJYHZDGSA-N 1 2 325.456 3.842 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(Br)c(F)cc1C(C)=O ZINC001176124020 1132852731 /nfs/dbraw/zinc/85/27/31/1132852731.db2.gz GJVAPMGFARZAFF-UHFFFAOYSA-N 1 2 339.164 3.938 20 0 EHADLO Clc1nc(CNc2ccn3cc[nH+]c3c2)ccc1Br ZINC001169819354 1132868301 /nfs/dbraw/zinc/86/83/01/1132868301.db2.gz PPNIPMWEICDSNN-UHFFFAOYSA-N 1 2 337.608 3.757 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn4ccc(C)cc4n3)cc2)[nH+]c1C ZINC001176211732 1132875079 /nfs/dbraw/zinc/87/50/79/1132875079.db2.gz YJNVUVZUIBYBJK-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO CS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(F)c1 ZINC001176279591 1132888753 /nfs/dbraw/zinc/88/87/53/1132888753.db2.gz ZGWNGHRJFVQWSH-UHFFFAOYSA-N 1 2 348.443 3.963 20 0 EHADLO COCCOc1cc(NCc2ccc(-c3ccccn3)cc2)cc[nH+]1 ZINC001169897408 1132890427 /nfs/dbraw/zinc/89/04/27/1132890427.db2.gz CJQZFFFORJGFAB-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO COc1cc(Cl)cc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001176344939 1132904960 /nfs/dbraw/zinc/90/49/60/1132904960.db2.gz VQSCXBZUBQIIKI-UHFFFAOYSA-N 1 2 332.831 3.924 20 0 EHADLO CCN(C)C(=O)c1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001176463323 1132940964 /nfs/dbraw/zinc/94/09/64/1132940964.db2.gz WJUAUJIYEWANTR-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2[nH+]cccc2N(C)C)ccc1F ZINC001176515284 1132954170 /nfs/dbraw/zinc/95/41/70/1132954170.db2.gz NGSSMPAVXQUYLJ-UHFFFAOYSA-N 1 2 330.407 3.512 20 0 EHADLO Cc1nc(Nc2ccc(Cl)cc2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176726331 1132987920 /nfs/dbraw/zinc/98/79/20/1132987920.db2.gz OKWGVXHGXSEIKO-TXEJJXNPSA-N 1 2 332.835 3.796 20 0 EHADLO COc1ccc(C(C)C)cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC001176727440 1132988267 /nfs/dbraw/zinc/98/82/67/1132988267.db2.gz FNEQDNPYNRZOTO-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO COc1ccc(C(C)C)cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC001176727440 1132988271 /nfs/dbraw/zinc/98/82/71/1132988271.db2.gz FNEQDNPYNRZOTO-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CC(C)(C)c1cnn2cc(Nc3ccc[nH+]c3N3CCCC3)cnc12 ZINC001176748788 1132991875 /nfs/dbraw/zinc/99/18/75/1132991875.db2.gz BHFIYCAQFKAKQI-UHFFFAOYSA-N 1 2 336.443 3.766 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC001176745668 1132991980 /nfs/dbraw/zinc/99/19/80/1132991980.db2.gz WXZGAURQQUXLCO-LBPRGKRZSA-N 1 2 336.501 3.541 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000767417449 1132998597 /nfs/dbraw/zinc/99/85/97/1132998597.db2.gz NGPAIILSKQLPLY-UHFFFAOYSA-N 1 2 343.258 3.589 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001176878834 1133006302 /nfs/dbraw/zinc/00/63/02/1133006302.db2.gz NNODNWSIEJHRTQ-UHFFFAOYSA-N 1 2 339.345 3.761 20 0 EHADLO Cc1ccc(C[C@H](NC(=O)CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC001176883833 1133007596 /nfs/dbraw/zinc/00/75/96/1133007596.db2.gz PMRMQWHWTZYGKB-FQEVSTJZSA-N 1 2 333.435 3.682 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc(Cl)cc3cccnc32)cc[nH+]1 ZINC000767543479 1133016871 /nfs/dbraw/zinc/01/68/71/1133016871.db2.gz OVPWEKBESNUWQY-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO O=C(Nc1cc2ccccc2cc1O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967283 1133017576 /nfs/dbraw/zinc/01/75/76/1133017576.db2.gz IPSHYVRHPYWJCU-KRWDZBQOSA-N 1 2 347.418 3.796 20 0 EHADLO CC/C(=C/C(=O)OCc1cc[nH+]c(N(C)C)c1)c1ccc(OC)cc1 ZINC000767578141 1133018019 /nfs/dbraw/zinc/01/80/19/1133018019.db2.gz VMJVFPRMMVEOLR-SSZFMOIBSA-N 1 2 340.423 3.693 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(Cc2cccs2)oc1=S ZINC000767766849 1133050716 /nfs/dbraw/zinc/05/07/16/1133050716.db2.gz CMGXRUGISXWMKF-LLVKDONJSA-N 1 2 341.527 3.643 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(Cc2cccs2)oc1=S ZINC000767766849 1133050721 /nfs/dbraw/zinc/05/07/21/1133050721.db2.gz CMGXRUGISXWMKF-LLVKDONJSA-N 1 2 341.527 3.643 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667718 1133064577 /nfs/dbraw/zinc/06/45/77/1133064577.db2.gz UUDZTGVKLYALMJ-YOEHRIQHSA-N 1 2 347.890 3.519 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667718 1133064581 /nfs/dbraw/zinc/06/45/81/1133064581.db2.gz UUDZTGVKLYALMJ-YOEHRIQHSA-N 1 2 347.890 3.519 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767874762 1133066314 /nfs/dbraw/zinc/06/63/14/1133066314.db2.gz ATGJPJCWSNJRNX-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000767874762 1133066319 /nfs/dbraw/zinc/06/63/19/1133066319.db2.gz ATGJPJCWSNJRNX-RBUKOAKNSA-N 1 2 349.833 3.894 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177622775 1133087197 /nfs/dbraw/zinc/08/71/97/1133087197.db2.gz RTDDLQDLPGTXNF-KRWDZBQOSA-N 1 2 342.439 3.886 20 0 EHADLO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC001177622775 1133087203 /nfs/dbraw/zinc/08/72/03/1133087203.db2.gz RTDDLQDLPGTXNF-KRWDZBQOSA-N 1 2 342.439 3.886 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000768145595 1133097398 /nfs/dbraw/zinc/09/73/98/1133097398.db2.gz SCDQASVVYCQZKX-XFFZJAGNSA-N 1 2 336.222 3.677 20 0 EHADLO Cc1ccccc1C(=O)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000096700723 1133099613 /nfs/dbraw/zinc/09/96/13/1133099613.db2.gz XHNUTHYOXHLGIF-UHFFFAOYSA-N 1 2 342.870 3.649 20 0 EHADLO CC(C)c1[nH+]c(CNCc2nnc(-c3ccccc3)[nH]2)c2ccccn21 ZINC001177828412 1133100625 /nfs/dbraw/zinc/10/06/25/1133100625.db2.gz HMJSIZYEGSCULT-UHFFFAOYSA-N 1 2 346.438 3.533 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000768172899 1133105175 /nfs/dbraw/zinc/10/51/75/1133105175.db2.gz ATTPFLGKNQIQDE-AWEZNQCLSA-N 1 2 347.484 3.534 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000768172899 1133105177 /nfs/dbraw/zinc/10/51/77/1133105177.db2.gz ATTPFLGKNQIQDE-AWEZNQCLSA-N 1 2 347.484 3.534 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000768245318 1133120161 /nfs/dbraw/zinc/12/01/61/1133120161.db2.gz NVIIAXPVUAESLM-UHFFFAOYSA-N 1 2 331.847 3.523 20 0 EHADLO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001177997123 1133122298 /nfs/dbraw/zinc/12/22/98/1133122298.db2.gz ZPTXHNVAWOYJAO-UHFFFAOYSA-N 1 2 347.418 3.829 20 0 EHADLO NC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccccc1Cl ZINC001178343904 1133157568 /nfs/dbraw/zinc/15/75/68/1133157568.db2.gz UXFRKJZGTMLONS-CQSZACIVSA-N 1 2 341.213 3.839 20 0 EHADLO COc1cc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)ccc1SC ZINC001178469812 1133171596 /nfs/dbraw/zinc/17/15/96/1133171596.db2.gz XFOADTAHYAEDDI-ZDUSSCGKSA-N 1 2 337.391 3.919 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]Cc1ncccc1F ZINC001178629069 1133187773 /nfs/dbraw/zinc/18/77/73/1133187773.db2.gz JIHKITYZYHVBDS-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO CCCCOc1c(NC(=O)[C@H]2CCCC[N@@H+]2C)ccc(F)c1F ZINC001178697000 1133192113 /nfs/dbraw/zinc/19/21/13/1133192113.db2.gz RLFFUTVGHDDZOT-CQSZACIVSA-N 1 2 326.387 3.567 20 0 EHADLO CCCCOc1c(NC(=O)[C@H]2CCCC[N@H+]2C)ccc(F)c1F ZINC001178697000 1133192115 /nfs/dbraw/zinc/19/21/15/1133192115.db2.gz RLFFUTVGHDDZOT-CQSZACIVSA-N 1 2 326.387 3.567 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768912857 1133201880 /nfs/dbraw/zinc/20/18/80/1133201880.db2.gz ZUKVHQQKDMVTTP-CPUCHLNUSA-N 1 2 334.410 3.503 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768912857 1133201884 /nfs/dbraw/zinc/20/18/84/1133201884.db2.gz ZUKVHQQKDMVTTP-CPUCHLNUSA-N 1 2 334.410 3.503 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1c[nH]nc1-c1cccs1 ZINC000768919103 1133203432 /nfs/dbraw/zinc/20/34/32/1133203432.db2.gz PRZIGLRZQRKJQK-UHFFFAOYSA-N 1 2 349.463 3.956 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1c[nH]nc1-c1cccs1 ZINC000768919103 1133203438 /nfs/dbraw/zinc/20/34/38/1133203438.db2.gz PRZIGLRZQRKJQK-UHFFFAOYSA-N 1 2 349.463 3.956 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H](F)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000768990413 1133210863 /nfs/dbraw/zinc/21/08/63/1133210863.db2.gz MMGINGUVMSBNFH-BEFAXECRSA-N 1 2 342.414 3.729 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3[nH]c4c([nH+]3)CCCC4)CCCC2)c1 ZINC001178922087 1133213981 /nfs/dbraw/zinc/21/39/81/1133213981.db2.gz GWWQVLDCYWOLBQ-UHFFFAOYSA-N 1 2 337.467 3.725 20 0 EHADLO CC1(C)C[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)CCS1 ZINC001179042751 1133222456 /nfs/dbraw/zinc/22/24/56/1133222456.db2.gz OIUGONZCTNEATP-OAHLLOKOSA-N 1 2 341.480 3.651 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC001179092208 1133227191 /nfs/dbraw/zinc/22/71/91/1133227191.db2.gz IODJRMABBTUTSN-NSHDSACASA-N 1 2 339.361 3.972 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC001179092208 1133227196 /nfs/dbraw/zinc/22/71/96/1133227196.db2.gz IODJRMABBTUTSN-NSHDSACASA-N 1 2 339.361 3.972 20 0 EHADLO CN(C)c1cc(COC(=O)c2cnc(Cl)c3ccccc23)cc[nH+]1 ZINC000769197087 1133243076 /nfs/dbraw/zinc/24/30/76/1133243076.db2.gz ZVJSUUFQYSQSGV-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO O=C(/C=C/c1cc(F)cc(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001179562319 1133258579 /nfs/dbraw/zinc/25/85/79/1133258579.db2.gz RJKRPFMGGXLUCI-LZCJLJQNSA-N 1 2 325.318 3.802 20 0 EHADLO O=C(Oc1c(F)cccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000769291851 1133265961 /nfs/dbraw/zinc/26/59/61/1133265961.db2.gz OLODMLREGALPFI-UHFFFAOYSA-N 1 2 330.746 3.943 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1OC ZINC001180086104 1133327277 /nfs/dbraw/zinc/32/72/77/1133327277.db2.gz DRTXFXPSTALBTI-GOSISDBHSA-N 1 2 327.424 3.766 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1OC ZINC001180086104 1133327282 /nfs/dbraw/zinc/32/72/82/1133327282.db2.gz DRTXFXPSTALBTI-GOSISDBHSA-N 1 2 327.424 3.766 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCC2)CCO1 ZINC001180120872 1133334459 /nfs/dbraw/zinc/33/44/59/1133334459.db2.gz MGROIKUMJXXBJB-HXUWFJFHSA-N 1 2 339.483 3.960 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCC2)CCO1 ZINC001180120872 1133334467 /nfs/dbraw/zinc/33/44/67/1133334467.db2.gz MGROIKUMJXXBJB-HXUWFJFHSA-N 1 2 339.483 3.960 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC001180219649 1133345644 /nfs/dbraw/zinc/34/56/44/1133345644.db2.gz QZOZFJRWBQMITL-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC001180219649 1133345650 /nfs/dbraw/zinc/34/56/50/1133345650.db2.gz QZOZFJRWBQMITL-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000769856843 1133351589 /nfs/dbraw/zinc/35/15/89/1133351589.db2.gz YCMQCKBVFCGULM-INIZCTEOSA-N 1 2 348.805 3.936 20 0 EHADLO C[N@H+](Cc1cc(Cl)ccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000769856843 1133351594 /nfs/dbraw/zinc/35/15/94/1133351594.db2.gz YCMQCKBVFCGULM-INIZCTEOSA-N 1 2 348.805 3.936 20 0 EHADLO O=C(CCC(F)=C(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001180273751 1133353987 /nfs/dbraw/zinc/35/39/87/1133353987.db2.gz OOCLFJSQSOEWDJ-QPJJXVBHSA-N 1 2 338.373 3.702 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180289052 1133357640 /nfs/dbraw/zinc/35/76/40/1133357640.db2.gz QZFADHGETJLZGO-CQSZACIVSA-N 1 2 338.496 3.561 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180289052 1133357645 /nfs/dbraw/zinc/35/76/45/1133357645.db2.gz QZFADHGETJLZGO-CQSZACIVSA-N 1 2 338.496 3.561 20 0 EHADLO C[N@H+](Cc1ccc(Br)o1)Cc1cnc2ccccc2n1 ZINC001180392368 1133364739 /nfs/dbraw/zinc/36/47/39/1133364739.db2.gz DKJKAAFNZNHEME-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[N@@H+](Cc1ccc(Br)o1)Cc1cnc2ccccc2n1 ZINC001180392368 1133364742 /nfs/dbraw/zinc/36/47/42/1133364742.db2.gz DKJKAAFNZNHEME-UHFFFAOYSA-N 1 2 332.201 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1occc1Br)[C@H](c1ccccc1)N(C)C ZINC000769930969 1133369124 /nfs/dbraw/zinc/36/91/24/1133369124.db2.gz RKZZAZNHAXZBLF-BLLLJJGKSA-N 1 2 337.261 3.823 20 0 EHADLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001180412945 1133372402 /nfs/dbraw/zinc/37/24/02/1133372402.db2.gz MVUJKGWZFUYRFZ-CQSZACIVSA-N 1 2 347.484 3.774 20 0 EHADLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001180412945 1133372409 /nfs/dbraw/zinc/37/24/09/1133372409.db2.gz MVUJKGWZFUYRFZ-CQSZACIVSA-N 1 2 347.484 3.774 20 0 EHADLO CC[C@H](C)[N@H+](Cc1snc(OC)c1C(=O)OC)Cc1ccccc1 ZINC001180422107 1133373190 /nfs/dbraw/zinc/37/31/90/1133373190.db2.gz DMPKMRQTLSUAGX-ZDUSSCGKSA-N 1 2 348.468 3.739 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1snc(OC)c1C(=O)OC)Cc1ccccc1 ZINC001180422107 1133373196 /nfs/dbraw/zinc/37/31/96/1133373196.db2.gz DMPKMRQTLSUAGX-ZDUSSCGKSA-N 1 2 348.468 3.739 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2c[nH+]cn2C2CCC2)c1 ZINC001180514568 1133379672 /nfs/dbraw/zinc/37/96/72/1133379672.db2.gz HGBBNLYTIUMTFL-UHFFFAOYSA-N 1 2 341.455 3.735 20 0 EHADLO COc1ccc(CN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C2CC2)cc1 ZINC000770066514 1133383686 /nfs/dbraw/zinc/38/36/86/1133383686.db2.gz NICIQAGBSDXSMW-HNNXBMFYSA-N 1 2 349.434 3.784 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000770073548 1133384050 /nfs/dbraw/zinc/38/40/50/1133384050.db2.gz AQOWIGPHXXIZPH-UHFFFAOYSA-N 1 2 346.365 3.715 20 0 EHADLO CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000770076452 1133385295 /nfs/dbraw/zinc/38/52/95/1133385295.db2.gz YCPBRWUMBQKZKK-UHFFFAOYSA-N 1 2 342.786 3.589 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H](CSc2ccccc2)C1 ZINC000770086428 1133386050 /nfs/dbraw/zinc/38/60/50/1133386050.db2.gz VTUKDOGIXHHONE-HNNXBMFYSA-N 1 2 337.448 3.589 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1Cc1ccccc1Cl ZINC000770413964 1133425263 /nfs/dbraw/zinc/42/52/63/1133425263.db2.gz YPVQTMXREDXVSW-HNNXBMFYSA-N 1 2 339.826 3.835 20 0 EHADLO CCOC(=O)[C@@H](CCOC(C)(C)C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180962608 1133436757 /nfs/dbraw/zinc/43/67/57/1133436757.db2.gz NUJPJSROZKKUFJ-DBXWQHBBSA-N 1 2 347.499 3.907 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647161 1133459402 /nfs/dbraw/zinc/45/94/02/1133459402.db2.gz WRWTZUSKDFISGV-MNOVXSKESA-N 1 2 328.890 3.946 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647161 1133459404 /nfs/dbraw/zinc/45/94/04/1133459404.db2.gz WRWTZUSKDFISGV-MNOVXSKESA-N 1 2 328.890 3.946 20 0 EHADLO CCCCCCOc1ccc(NC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181264295 1133474217 /nfs/dbraw/zinc/47/42/17/1133474217.db2.gz WYZUMZQPXHHWSJ-UHFFFAOYSA-N 1 2 327.428 3.804 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)cc1Cl ZINC001181505403 1133494628 /nfs/dbraw/zinc/49/46/28/1133494628.db2.gz FUJPENAYFZZKQN-NHYWBVRUSA-N 1 2 332.271 3.983 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](O)C2)cc1Cl ZINC001181505403 1133494632 /nfs/dbraw/zinc/49/46/32/1133494632.db2.gz FUJPENAYFZZKQN-NHYWBVRUSA-N 1 2 332.271 3.983 20 0 EHADLO Oc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(F)c1F ZINC001181707635 1133514258 /nfs/dbraw/zinc/51/42/58/1133514258.db2.gz MZEMBUWVVBOSAM-UHFFFAOYSA-N 1 2 336.357 3.700 20 0 EHADLO COc1ccc(SCC[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001181970171 1133562658 /nfs/dbraw/zinc/56/26/58/1133562658.db2.gz ALFDMRAJSJKWGD-CQSZACIVSA-N 1 2 349.418 3.829 20 0 EHADLO COc1ccc(SCC[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001181970171 1133562663 /nfs/dbraw/zinc/56/26/63/1133562663.db2.gz ALFDMRAJSJKWGD-CQSZACIVSA-N 1 2 349.418 3.829 20 0 EHADLO Cc1[nH+]c(N)ccc1CNC(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001156974196 1133600462 /nfs/dbraw/zinc/60/04/62/1133600462.db2.gz AEMPJFUSCWEKIE-UHFFFAOYSA-N 1 2 333.169 3.513 20 0 EHADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccc(-c2ccccc2)c(F)c1 ZINC001182248367 1133601697 /nfs/dbraw/zinc/60/16/97/1133601697.db2.gz LGZUDADOHHMHTG-HNNXBMFYSA-N 1 2 337.398 3.609 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781336371 1133603213 /nfs/dbraw/zinc/60/32/13/1133603213.db2.gz VXWMBZBJYPLQMW-CABCVRRESA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781336371 1133603216 /nfs/dbraw/zinc/60/32/16/1133603216.db2.gz VXWMBZBJYPLQMW-CABCVRRESA-N 1 2 347.402 3.678 20 0 EHADLO Cc1nc(C2([NH2+]C[C@H](O)c3ccc(Cl)cc3)CCCCC2)no1 ZINC000772202301 1133660531 /nfs/dbraw/zinc/66/05/31/1133660531.db2.gz UNDXDDIHULTXEP-HNNXBMFYSA-N 1 2 335.835 3.514 20 0 EHADLO CC[C@H](C)C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001182573721 1133701081 /nfs/dbraw/zinc/70/10/81/1133701081.db2.gz BWHUBVVTYNEGMB-MQIPJXDCSA-N 1 2 329.843 3.978 20 0 EHADLO CCCC[N@@H+](Cc1ccccc1Cl)Cn1cc2[nH]cccc-2c1=O ZINC000785505530 1133714923 /nfs/dbraw/zinc/71/49/23/1133714923.db2.gz HDLURMALTYJFSI-UHFFFAOYSA-N 1 2 343.858 3.951 20 0 EHADLO CCCC[N@H+](Cc1ccccc1Cl)Cn1cc2[nH]cccc-2c1=O ZINC000785505530 1133714926 /nfs/dbraw/zinc/71/49/26/1133714926.db2.gz HDLURMALTYJFSI-UHFFFAOYSA-N 1 2 343.858 3.951 20 0 EHADLO CC(C)(C)c1ccc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000785553432 1133721547 /nfs/dbraw/zinc/72/15/47/1133721547.db2.gz AGVGCJIWKXCSDG-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)C/C=C\c2cc(C)c(C)cc2C)c1 ZINC001182875045 1133741902 /nfs/dbraw/zinc/74/19/02/1133741902.db2.gz WSIUGWQXGODJAN-SREVYHEPSA-N 1 2 337.467 3.899 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)C/C=C\c2cc(C)c(C)cc2C)c1 ZINC001182875045 1133741908 /nfs/dbraw/zinc/74/19/08/1133741908.db2.gz WSIUGWQXGODJAN-SREVYHEPSA-N 1 2 337.467 3.899 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H](Nc1cc(N3CCCCC3)nc[nH+]1)CCC2 ZINC000785843514 1133753770 /nfs/dbraw/zinc/75/37/70/1133753770.db2.gz JERHAHJFODKIMF-INIZCTEOSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H](Nc1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC000785843514 1133753775 /nfs/dbraw/zinc/75/37/75/1133753775.db2.gz JERHAHJFODKIMF-INIZCTEOSA-N 1 2 340.475 3.734 20 0 EHADLO CC(C)c1nc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC001183019028 1133760971 /nfs/dbraw/zinc/76/09/71/1133760971.db2.gz TXTXUKAIUUCCFV-ZDUSSCGKSA-N 1 2 340.452 3.943 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1[nH]ncc1Br ZINC001183323456 1133787862 /nfs/dbraw/zinc/78/78/62/1133787862.db2.gz BFKVKJJCFAALDS-MRXNPFEDSA-N 1 2 336.277 3.919 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1F ZINC001183753113 1133854648 /nfs/dbraw/zinc/85/46/48/1133854648.db2.gz MKFJCDPEOCANNM-CXAGYDPISA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1F ZINC001183753113 1133854654 /nfs/dbraw/zinc/85/46/54/1133854654.db2.gz MKFJCDPEOCANNM-CXAGYDPISA-N 1 2 346.833 3.931 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447884 1133855168 /nfs/dbraw/zinc/85/51/68/1133855168.db2.gz ZEOBJSHPGRDCRR-KMFMINBZSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447884 1133855175 /nfs/dbraw/zinc/85/51/75/1133855175.db2.gz ZEOBJSHPGRDCRR-KMFMINBZSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447886 1133855785 /nfs/dbraw/zinc/85/57/85/1133855785.db2.gz ZEOBJSHPGRDCRR-QRTARXTBSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447886 1133855793 /nfs/dbraw/zinc/85/57/93/1133855793.db2.gz ZEOBJSHPGRDCRR-QRTARXTBSA-N 1 2 344.842 3.662 20 0 EHADLO Cc1c(NC(=O)CCc2ccc(N)[nH+]c2)snc1-c1ccccc1 ZINC001183931700 1133873915 /nfs/dbraw/zinc/87/39/15/1133873915.db2.gz MEQXYYMKKQWLGY-UHFFFAOYSA-N 1 2 338.436 3.667 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccnc(OC2CCC2)c1 ZINC000786642864 1133885409 /nfs/dbraw/zinc/88/54/09/1133885409.db2.gz SKKSKAPPLVDKQI-UHFFFAOYSA-N 1 2 349.390 3.556 20 0 EHADLO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001184015338 1133885679 /nfs/dbraw/zinc/88/56/79/1133885679.db2.gz YSXUXBSVKRCCGH-OAHLLOKOSA-N 1 2 344.842 3.537 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n1 ZINC000786810884 1133909339 /nfs/dbraw/zinc/90/93/39/1133909339.db2.gz BPNHYMNQOBLLIY-UHFFFAOYSA-N 1 2 347.406 3.656 20 0 EHADLO Cc1cccc(C[NH2+]Cc2nccn2C(F)F)c1Br ZINC000786822985 1133911952 /nfs/dbraw/zinc/91/19/52/1133911952.db2.gz ICJRFHGKFCCDBW-UHFFFAOYSA-N 1 2 330.176 3.639 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000746659423 1133965721 /nfs/dbraw/zinc/96/57/21/1133965721.db2.gz PPFZWQIZOLCTOB-UHFFFAOYSA-N 1 2 345.508 3.822 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](Cc1ccccc1)Cc1ccccc1C ZINC000746659423 1133965724 /nfs/dbraw/zinc/96/57/24/1133965724.db2.gz PPFZWQIZOLCTOB-UHFFFAOYSA-N 1 2 345.508 3.822 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000787217818 1133968626 /nfs/dbraw/zinc/96/86/26/1133968626.db2.gz DQYJACMXWKYPJK-PKOBYXMFSA-N 1 2 344.499 3.692 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000787217818 1133968629 /nfs/dbraw/zinc/96/86/29/1133968629.db2.gz DQYJACMXWKYPJK-PKOBYXMFSA-N 1 2 344.499 3.692 20 0 EHADLO Cc1nc(NCCO[C@@H]2CCCC[C@@H]2C)c(Br)c(C)[nH+]1 ZINC001184874152 1134001425 /nfs/dbraw/zinc/00/14/25/1134001425.db2.gz LAHIVIARRGARKY-GXFFZTMASA-N 1 2 342.281 3.863 20 0 EHADLO CCOC(=O)c1ccc(OC)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184965233 1134008342 /nfs/dbraw/zinc/00/83/42/1134008342.db2.gz UVKNISRBCFQDMA-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(OC(F)(F)Cl)cc2)c1 ZINC000787516179 1134011014 /nfs/dbraw/zinc/01/10/14/1134011014.db2.gz DRTAICZLFQQXCV-UHFFFAOYSA-N 1 2 341.745 3.568 20 0 EHADLO Nc1cc(COC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc[nH+]1 ZINC000787598914 1134023200 /nfs/dbraw/zinc/02/32/00/1134023200.db2.gz QBVVWPCRZUPCGS-UHFFFAOYSA-N 1 2 345.811 3.798 20 0 EHADLO COC(=O)[C@H](C)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001185042743 1134023391 /nfs/dbraw/zinc/02/33/91/1134023391.db2.gz HUOUZTGGQSHXBX-CQSZACIVSA-N 1 2 325.412 3.702 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185044635 1134024435 /nfs/dbraw/zinc/02/44/35/1134024435.db2.gz XUIAYYHJDQRDHA-UHFFFAOYSA-N 1 2 343.402 3.670 20 0 EHADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@@H](C)CCCC(C)C ZINC001170080738 1134061944 /nfs/dbraw/zinc/06/19/44/1134061944.db2.gz LPLLPHDUPMABGC-QFBILLFUSA-N 1 2 348.535 3.714 20 0 EHADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@@H](C)CCCC(C)C ZINC001170080738 1134061952 /nfs/dbraw/zinc/06/19/52/1134061952.db2.gz LPLLPHDUPMABGC-QFBILLFUSA-N 1 2 348.535 3.714 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C23CCC(F)(CC2)CC3)CC1 ZINC001185529119 1134103913 /nfs/dbraw/zinc/10/39/13/1134103913.db2.gz ZNNAOOUNPVSADM-UHFFFAOYSA-N 1 2 345.462 3.518 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282950 1134107576 /nfs/dbraw/zinc/10/75/76/1134107576.db2.gz VEDZINILJKUWNW-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282950 1134107579 /nfs/dbraw/zinc/10/75/79/1134107579.db2.gz VEDZINILJKUWNW-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000788282950 1134107581 /nfs/dbraw/zinc/10/75/81/1134107581.db2.gz VEDZINILJKUWNW-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000788282950 1134107586 /nfs/dbraw/zinc/10/75/86/1134107586.db2.gz VEDZINILJKUWNW-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO CCc1cc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)nc(CC)[nH+]1 ZINC001185592922 1134111362 /nfs/dbraw/zinc/11/13/62/1134111362.db2.gz KQEKKVHJSHIQTG-OAHLLOKOSA-N 1 2 330.863 3.946 20 0 EHADLO CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccn2cc[nH+]c2c1 ZINC001185755348 1134128507 /nfs/dbraw/zinc/12/85/07/1134128507.db2.gz CIKZLNKJPZOQDD-UHFFFAOYSA-N 1 2 334.301 3.563 20 0 EHADLO COc1cc(C)ccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000788484868 1134130651 /nfs/dbraw/zinc/13/06/51/1134130651.db2.gz NPVUEJVAAKVKJA-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO CCc1cc(NC[C@H](C)c2nc(-c3ccccc3)no2)nc(CC)[nH+]1 ZINC001185979740 1134157287 /nfs/dbraw/zinc/15/72/87/1134157287.db2.gz RWDPDXJVASXYGH-ZDUSSCGKSA-N 1 2 337.427 3.867 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)Nc1c(F)cc(F)cc1F ZINC001186004229 1134158074 /nfs/dbraw/zinc/15/80/74/1134158074.db2.gz XFRZDOKRJNAJAX-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000746755282 1134159151 /nfs/dbraw/zinc/15/91/51/1134159151.db2.gz NHFRRZVBXMRURM-DOMZBBRYSA-N 1 2 333.476 3.816 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000788767103 1134166895 /nfs/dbraw/zinc/16/68/95/1134166895.db2.gz SWXVMYPYBCSPQH-INIZCTEOSA-N 1 2 342.826 3.672 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855498 1134188661 /nfs/dbraw/zinc/18/86/61/1134188661.db2.gz QGKNMUWPPKPPKP-QMMNQCBRSA-N 1 2 338.854 3.916 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855498 1134188662 /nfs/dbraw/zinc/18/86/62/1134188662.db2.gz QGKNMUWPPKPPKP-QMMNQCBRSA-N 1 2 338.854 3.916 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170093230 1134199821 /nfs/dbraw/zinc/19/98/21/1134199821.db2.gz YTVCKJFBMPKXIM-ILXRZTDVSA-N 1 2 341.492 3.597 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=O)N[C@H](C)C3CCCCC3)c[nH+]c12 ZINC001186359304 1134201008 /nfs/dbraw/zinc/20/10/08/1134201008.db2.gz SSSVRDAVFXDZDT-CABCVRRESA-N 1 2 328.460 3.972 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)c(F)c1F ZINC001186446352 1134213660 /nfs/dbraw/zinc/21/36/60/1134213660.db2.gz BLGVUWQQXMCRRL-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1nc(Cl)cs1 ZINC000789224290 1134245660 /nfs/dbraw/zinc/24/56/60/1134245660.db2.gz RLWLPZVXCQCVNR-UHFFFAOYSA-N 1 2 333.800 3.648 20 0 EHADLO CCc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc(CC)[nH+]1 ZINC001186781468 1134257484 /nfs/dbraw/zinc/25/74/84/1134257484.db2.gz SMLAFYWJOWMYDF-CRAIPNDOSA-N 1 2 331.847 3.567 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000789729241 1134326998 /nfs/dbraw/zinc/32/69/98/1134326998.db2.gz RBZKLFAAGLCZQR-AWEZNQCLSA-N 1 2 329.444 3.609 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000789729241 1134327003 /nfs/dbraw/zinc/32/70/03/1134327003.db2.gz RBZKLFAAGLCZQR-AWEZNQCLSA-N 1 2 329.444 3.609 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000789729243 1134327123 /nfs/dbraw/zinc/32/71/23/1134327123.db2.gz RBZKLFAAGLCZQR-CQSZACIVSA-N 1 2 329.444 3.609 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000789729243 1134327129 /nfs/dbraw/zinc/32/71/29/1134327129.db2.gz RBZKLFAAGLCZQR-CQSZACIVSA-N 1 2 329.444 3.609 20 0 EHADLO S=C(Nc1ccsc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000790303041 1134399123 /nfs/dbraw/zinc/39/91/23/1134399123.db2.gz PYOZMJWXWHKQDH-DAXSKMNVSA-N 1 2 343.521 3.776 20 0 EHADLO CCSCc1ccccc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000790962356 1134485459 /nfs/dbraw/zinc/48/54/59/1134485459.db2.gz WOANTYWSZHEXFM-UHFFFAOYSA-N 1 2 329.469 3.961 20 0 EHADLO O=C(Nc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc2ccccc21 ZINC001188912472 1134518252 /nfs/dbraw/zinc/51/82/52/1134518252.db2.gz HPRMCZDIFYWJCV-UHFFFAOYSA-N 1 2 348.406 3.715 20 0 EHADLO CC(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791281203 1134529451 /nfs/dbraw/zinc/52/94/51/1134529451.db2.gz ZLRFVFJSDMFPSM-UHFFFAOYSA-N 1 2 340.404 3.802 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000791380252 1134537353 /nfs/dbraw/zinc/53/73/53/1134537353.db2.gz JMRJRSOYNCZNPW-BEFAXECRSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1noc(C)c1[C@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791363153 1134540315 /nfs/dbraw/zinc/54/03/15/1134540315.db2.gz GPDJMDQVDOBZAD-ZDUSSCGKSA-N 1 2 339.395 3.632 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(C2CC2)cn1 ZINC000791414764 1134548154 /nfs/dbraw/zinc/54/81/54/1134548154.db2.gz URJHCJTWDFANRZ-UHFFFAOYSA-N 1 2 333.391 3.810 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2c(n1)CCCC2 ZINC000791417112 1134548225 /nfs/dbraw/zinc/54/82/25/1134548225.db2.gz QGJAHHJLVLHXFD-UHFFFAOYSA-N 1 2 347.418 3.812 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1cccc(Cl)c1Cl ZINC001189244702 1134556338 /nfs/dbraw/zinc/55/63/38/1134556338.db2.gz GFRWAEHMRNJQKT-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO CCSCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000791427833 1134556625 /nfs/dbraw/zinc/55/66/25/1134556625.db2.gz QTYBEDGYSDWDHB-UHFFFAOYSA-N 1 2 348.541 3.725 20 0 EHADLO Brc1cc(Nc2ccc3cncnc3c2)c2[nH+]ccn2c1 ZINC001203703119 1134588639 /nfs/dbraw/zinc/58/86/39/1134588639.db2.gz VMXNFJXNHQADAL-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO Cc1coc(-c2ccc(C)c(NC(=O)c3cccc4[nH+]ccn43)c2)n1 ZINC000772783145 1134610418 /nfs/dbraw/zinc/61/04/18/1134610418.db2.gz CJVJEEJESNGGJF-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO CC[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791991195 1134637872 /nfs/dbraw/zinc/63/78/72/1134637872.db2.gz AAOFPPDFPWXQSP-CQSZACIVSA-N 1 2 338.329 3.920 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000791949283 1134637944 /nfs/dbraw/zinc/63/79/44/1134637944.db2.gz DRNVPLKWHFUZDK-KBPBESRZSA-N 1 2 337.206 3.818 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCSCc1ccccc1 ZINC000792080478 1134652812 /nfs/dbraw/zinc/65/28/12/1134652812.db2.gz AQMGBAKJFXIMMW-KRWDZBQOSA-N 1 2 345.512 3.738 20 0 EHADLO O=C(Nc1ccc(C(=O)C2CC2)cc1)c1ccccc1-n1cc[nH+]c1 ZINC001190098966 1134655111 /nfs/dbraw/zinc/65/51/11/1134655111.db2.gz CMIAAPFYKGNMDY-UHFFFAOYSA-N 1 2 331.375 3.717 20 0 EHADLO O=C(NC1CCC(C(F)(F)F)CC1)c1ccccc1-n1cc[nH+]c1 ZINC001190098897 1134655300 /nfs/dbraw/zinc/65/53/00/1134655300.db2.gz AWQQIBQXRBQTHH-UHFFFAOYSA-N 1 2 337.345 3.723 20 0 EHADLO CC(C)C[C@@H](NC(=O)c1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC001190105966 1134656503 /nfs/dbraw/zinc/65/65/03/1134656503.db2.gz BXIYHWMBMQCJBC-GOSISDBHSA-N 1 2 334.423 3.785 20 0 EHADLO COc1ccccc1Cc1cn(Cc2cc3ccccc3oc2=O)c[nH+]1 ZINC001190283685 1134680349 /nfs/dbraw/zinc/68/03/49/1134680349.db2.gz OPXWQMWLDXZDGA-UHFFFAOYSA-N 1 2 346.386 3.637 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000792388283 1134683914 /nfs/dbraw/zinc/68/39/14/1134683914.db2.gz CKTCKDIELUPTKR-UHFFFAOYSA-N 1 2 346.450 3.822 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000121381361 1134701264 /nfs/dbraw/zinc/70/12/64/1134701264.db2.gz KGIBXSRVWNZSAX-INIZCTEOSA-N 1 2 345.516 3.521 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000121381361 1134701272 /nfs/dbraw/zinc/70/12/72/1134701272.db2.gz KGIBXSRVWNZSAX-INIZCTEOSA-N 1 2 345.516 3.521 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170262270 1134726831 /nfs/dbraw/zinc/72/68/31/1134726831.db2.gz WDACLZQYEJCEBG-SCLBCKFNSA-N 1 2 349.833 3.784 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170255275 1134733173 /nfs/dbraw/zinc/73/31/73/1134733173.db2.gz OAOJEBZJAVSARN-DOMZBBRYSA-N 1 2 329.893 3.545 20 0 EHADLO FC(F)(F)C1(c2ccc(CNc3ccc4c([nH+]3)CCOC4)cc2)N=N1 ZINC001170294460 1134736455 /nfs/dbraw/zinc/73/64/55/1134736455.db2.gz BRRHXOHTDBWCMA-UHFFFAOYSA-N 1 2 348.328 3.947 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ncc(Cl)cc1C(F)(F)F ZINC001190695836 1134741055 /nfs/dbraw/zinc/74/10/55/1134741055.db2.gz DEUDSIGCDWUIFI-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CCS(=O)(=O)c1ccc(CNc2cc3ccc(C)cc3c[nH+]2)cc1 ZINC001170321779 1134747302 /nfs/dbraw/zinc/74/73/02/1134747302.db2.gz OJYSDXVEYVSVRL-UHFFFAOYSA-N 1 2 340.448 3.949 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1nc(-c2ccccc2)cs1 ZINC001191051752 1134783330 /nfs/dbraw/zinc/78/33/30/1134783330.db2.gz PAHBYWAGISTDED-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO C[NH+](C)c1ccc(NCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000792858865 1134801049 /nfs/dbraw/zinc/80/10/49/1134801049.db2.gz MHQKMMDYLMUOLF-UHFFFAOYSA-N 1 2 327.819 3.599 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000792838151 1134804462 /nfs/dbraw/zinc/80/44/62/1134804462.db2.gz CJOUGCDZFKXKEN-NQIIRXRSSA-N 1 2 343.442 3.713 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000792838151 1134804468 /nfs/dbraw/zinc/80/44/68/1134804468.db2.gz CJOUGCDZFKXKEN-NQIIRXRSSA-N 1 2 343.442 3.713 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H](F)CC1CCCCC1 ZINC000792921447 1134824780 /nfs/dbraw/zinc/82/47/80/1134824780.db2.gz NNIODBXKOYVWIZ-KRWDZBQOSA-N 1 2 333.451 3.607 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191243521 1134835559 /nfs/dbraw/zinc/83/55/59/1134835559.db2.gz DDNVPWLZTPOJAQ-SWLSCSKDSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191243521 1134835561 /nfs/dbraw/zinc/83/55/61/1134835561.db2.gz DDNVPWLZTPOJAQ-SWLSCSKDSA-N 1 2 346.368 3.619 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)c(C)c[nH+]1 ZINC000747106566 1134872757 /nfs/dbraw/zinc/87/27/57/1134872757.db2.gz BHJJZTOMZMYZSL-UHFFFAOYSA-N 1 2 330.478 3.851 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC001191541495 1134882506 /nfs/dbraw/zinc/88/25/06/1134882506.db2.gz TXOWGEFHYJPFNF-DOMZBBRYSA-N 1 2 340.261 3.641 20 0 EHADLO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C(C)C)C1 ZINC001191541495 1134882516 /nfs/dbraw/zinc/88/25/16/1134882516.db2.gz TXOWGEFHYJPFNF-DOMZBBRYSA-N 1 2 340.261 3.641 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000793250620 1134889526 /nfs/dbraw/zinc/88/95/26/1134889526.db2.gz AOTARFAOZQOYAJ-CABCVRRESA-N 1 2 339.222 3.616 20 0 EHADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000793252586 1134890196 /nfs/dbraw/zinc/89/01/96/1134890196.db2.gz OTEFBFKZAUKGEZ-JTQLQIEISA-N 1 2 327.211 3.616 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000793252565 1134890671 /nfs/dbraw/zinc/89/06/71/1134890671.db2.gz OFHPYXWRMKEUOD-UHFFFAOYSA-N 1 2 328.456 3.826 20 0 EHADLO O=C(C[C@@H]1CCCOC1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390014 1134921900 /nfs/dbraw/zinc/92/19/00/1134921900.db2.gz BUPNTZAQTMAKOM-HNNXBMFYSA-N 1 2 340.423 3.609 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1C[C@@H]1C(F)F ZINC000793391971 1134923188 /nfs/dbraw/zinc/92/31/88/1134923188.db2.gz XDLYDHFELODSEC-GJZGRUSLSA-N 1 2 332.350 3.693 20 0 EHADLO CCc1ccc2ccccc2c1C[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC001192234944 1134989246 /nfs/dbraw/zinc/98/92/46/1134989246.db2.gz XDSCNYZXOSFAEX-HXUWFJFHSA-N 1 2 343.467 3.801 20 0 EHADLO CCc1ccc2ccccc2c1C[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC001192234944 1134989251 /nfs/dbraw/zinc/98/92/51/1134989251.db2.gz XDSCNYZXOSFAEX-HXUWFJFHSA-N 1 2 343.467 3.801 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC001192371421 1135007763 /nfs/dbraw/zinc/00/77/63/1135007763.db2.gz YZEUTMMZRBFBMY-ROUUACIJSA-N 1 2 331.456 3.714 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC001192371421 1135007771 /nfs/dbraw/zinc/00/77/71/1135007771.db2.gz YZEUTMMZRBFBMY-ROUUACIJSA-N 1 2 331.456 3.714 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NC2CCN(CC(F)(F)F)CC2)c1C ZINC001170444832 1135039173 /nfs/dbraw/zinc/03/91/73/1135039173.db2.gz KYWULCASHMWMPX-UHFFFAOYSA-N 1 2 344.425 3.830 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)[nH]1 ZINC001192627045 1135041922 /nfs/dbraw/zinc/04/19/22/1135041922.db2.gz SDCQTOZBZWOJHE-SFYZADRCSA-N 1 2 330.766 3.780 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(F)c(C(F)(F)F)cc1F ZINC000804373085 1135049602 /nfs/dbraw/zinc/04/96/02/1135049602.db2.gz TUAFIBAQXISZII-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC001193355313 1135128859 /nfs/dbraw/zinc/12/88/59/1135128859.db2.gz QEBWJIRTJABJLT-LJQANCHMSA-N 1 2 340.854 3.812 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC001193355313 1135128862 /nfs/dbraw/zinc/12/88/62/1135128862.db2.gz QEBWJIRTJABJLT-LJQANCHMSA-N 1 2 340.854 3.812 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)cc2c1 ZINC001193413769 1135136951 /nfs/dbraw/zinc/13/69/51/1135136951.db2.gz PKDXATPNNZHZNP-GOSISDBHSA-N 1 2 326.440 3.849 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)cc2c1 ZINC001193413769 1135136953 /nfs/dbraw/zinc/13/69/53/1135136953.db2.gz PKDXATPNNZHZNP-GOSISDBHSA-N 1 2 326.440 3.849 20 0 EHADLO O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cccc2[nH+]ccn21 ZINC000804679541 1135165998 /nfs/dbraw/zinc/16/59/98/1135165998.db2.gz BSYZKXONMPHBIA-UHFFFAOYSA-N 1 2 335.741 3.510 20 0 EHADLO CCCCOC(=O)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001193722071 1135172650 /nfs/dbraw/zinc/17/26/50/1135172650.db2.gz IORJSFIFLHLHOC-UHFFFAOYSA-N 1 2 344.377 3.595 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC001193782876 1135179762 /nfs/dbraw/zinc/17/97/62/1135179762.db2.gz BNADHLDGIQUZJO-UHFFFAOYSA-N 1 2 349.312 3.592 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001193961090 1135206885 /nfs/dbraw/zinc/20/68/85/1135206885.db2.gz ULQIKNCAISFLRL-GOSISDBHSA-N 1 2 347.503 3.595 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1CCc1ccccc1F ZINC001194010432 1135214612 /nfs/dbraw/zinc/21/46/12/1135214612.db2.gz XCMVZYHYYFVRQA-FQEVSTJZSA-N 1 2 341.426 3.966 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC001194010432 1135214615 /nfs/dbraw/zinc/21/46/15/1135214615.db2.gz XCMVZYHYYFVRQA-FQEVSTJZSA-N 1 2 341.426 3.966 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)o1 ZINC001194413750 1135266412 /nfs/dbraw/zinc/26/64/12/1135266412.db2.gz BKIAKTHKOCBKFR-UHFFFAOYSA-N 1 2 335.285 3.796 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)Oc1ccc(Br)cc1 ZINC001194577368 1135287801 /nfs/dbraw/zinc/28/78/01/1135287801.db2.gz XFZQDXJMPYHLDF-UHFFFAOYSA-N 1 2 332.157 3.708 20 0 EHADLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)Oc1ccc2ccccc2c1 ZINC001194676159 1135304360 /nfs/dbraw/zinc/30/43/60/1135304360.db2.gz CIZCSIYGCCQKLQ-SFHVURJKSA-N 1 2 347.418 3.992 20 0 EHADLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)Oc1ccc2ccccc2c1 ZINC001194676158 1135304374 /nfs/dbraw/zinc/30/43/74/1135304374.db2.gz CIZCSIYGCCQKLQ-GOSISDBHSA-N 1 2 347.418 3.992 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000805707351 1135316791 /nfs/dbraw/zinc/31/67/91/1135316791.db2.gz QUGFTCDGLLCZKQ-UHFFFAOYSA-N 1 2 330.403 3.759 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCOC(F)(F)F)nc2c1 ZINC001194771540 1135321139 /nfs/dbraw/zinc/32/11/39/1135321139.db2.gz GOKVFLPQNHNBJF-CQSZACIVSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCOC(F)(F)F)nc2c1 ZINC001194771540 1135321141 /nfs/dbraw/zinc/32/11/41/1135321141.db2.gz GOKVFLPQNHNBJF-CQSZACIVSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCOC(F)(F)F)[nH]c2c1 ZINC001194771540 1135321143 /nfs/dbraw/zinc/32/11/43/1135321143.db2.gz GOKVFLPQNHNBJF-CQSZACIVSA-N 1 2 327.350 3.935 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCOC(F)(F)F)[nH]c2c1 ZINC001194771540 1135321145 /nfs/dbraw/zinc/32/11/45/1135321145.db2.gz GOKVFLPQNHNBJF-CQSZACIVSA-N 1 2 327.350 3.935 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC001194878141 1135334177 /nfs/dbraw/zinc/33/41/77/1135334177.db2.gz GYCYOAZCGHVDQH-UHFFFAOYSA-N 1 2 334.404 3.949 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1 ZINC001194894650 1135335664 /nfs/dbraw/zinc/33/56/64/1135335664.db2.gz FYUMRPXNFIFAET-UHFFFAOYSA-N 1 2 346.434 3.502 20 0 EHADLO Cc1n[nH]c2cc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)cc(F)c12 ZINC001194909703 1135339008 /nfs/dbraw/zinc/33/90/08/1135339008.db2.gz POOHHLGDXMSWBP-UHFFFAOYSA-N 1 2 349.369 3.663 20 0 EHADLO Cc1nc2c(cccc2NC(=O)c2cccc(-c3c[nH+]cn3C)c2)o1 ZINC001194908162 1135339297 /nfs/dbraw/zinc/33/92/97/1135339297.db2.gz ASQQBQLNGUPCRE-UHFFFAOYSA-N 1 2 332.363 3.789 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194927286 1135342272 /nfs/dbraw/zinc/34/22/72/1135342272.db2.gz LJNWERDRLHCFSR-OAHLLOKOSA-N 1 2 349.434 3.977 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)c3ccco3)CC2)cs1 ZINC000805903640 1135346888 /nfs/dbraw/zinc/34/68/88/1135346888.db2.gz LFBLDRGMFSKAPP-GFCCVEGCSA-N 1 2 334.441 3.561 20 0 EHADLO CC[C@@H](C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001195151356 1135381071 /nfs/dbraw/zinc/38/10/71/1135381071.db2.gz RAIJMUYZRZGZJL-GFCCVEGCSA-N 1 2 342.842 3.968 20 0 EHADLO Cn1ncc(C[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)n1 ZINC000806168130 1135406369 /nfs/dbraw/zinc/40/63/69/1135406369.db2.gz GHUJTDLIMNHSRK-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001195298637 1135409116 /nfs/dbraw/zinc/40/91/16/1135409116.db2.gz FZCKKTTXOLXFRB-DVOMOZLQSA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001195298637 1135409119 /nfs/dbraw/zinc/40/91/19/1135409119.db2.gz FZCKKTTXOLXFRB-DVOMOZLQSA-N 1 2 332.271 3.916 20 0 EHADLO CCCCOC(=O)C(C)(C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001195595948 1135440744 /nfs/dbraw/zinc/44/07/44/1135440744.db2.gz IEHJWNRXOCNVPI-UHFFFAOYSA-N 1 2 347.377 3.839 20 0 EHADLO CCCCOC(=O)C(C)(C)[NH2+]CCc1ccccc1Br ZINC001195596907 1135440795 /nfs/dbraw/zinc/44/07/95/1135440795.db2.gz UOJBFZOTMPPTGR-UHFFFAOYSA-N 1 2 342.277 3.703 20 0 EHADLO Fc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1ccccc1 ZINC001195801070 1135472567 /nfs/dbraw/zinc/47/25/67/1135472567.db2.gz GWHJIBCHJQADKN-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c(Cl)cc(Cl)nc1Cl ZINC001195915656 1135490222 /nfs/dbraw/zinc/49/02/22/1135490222.db2.gz DABRVTVJBXIHGB-UHFFFAOYSA-N 1 2 341.585 3.942 20 0 EHADLO Cc1ccc(F)cc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001195920855 1135491126 /nfs/dbraw/zinc/49/11/26/1135491126.db2.gz GXTAECZYAPIQHM-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO Cc1cccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000775684505 1135511131 /nfs/dbraw/zinc/51/11/31/1135511131.db2.gz BDPYDZMJBKVPJZ-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO CC[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)OC(C)(C)C ZINC001196124897 1135523352 /nfs/dbraw/zinc/52/33/52/1135523352.db2.gz OTEOLOFZQFKREU-KKUMJFAQSA-N 1 2 325.493 3.823 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC001196263323 1135537945 /nfs/dbraw/zinc/53/79/45/1135537945.db2.gz OGORPUDAQSRNDS-ZDUSSCGKSA-N 1 2 344.368 3.591 20 0 EHADLO C[NH+]1C(C)(C)CC(NC(=O)c2cc(Cl)c(F)cc2O)CC1(C)C ZINC001196477446 1135566086 /nfs/dbraw/zinc/56/60/86/1135566086.db2.gz CLBAYLHAJIIHJR-UHFFFAOYSA-N 1 2 342.842 3.566 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@H]3C[C@@H]3C(C)C)n2)C1 ZINC000867181669 1135578232 /nfs/dbraw/zinc/57/82/32/1135578232.db2.gz NEZSKBVUYQTGBR-KURKYZTESA-N 1 2 341.455 3.711 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@H]3C[C@@H]3C(C)C)n2)C1 ZINC000867181669 1135578237 /nfs/dbraw/zinc/57/82/37/1135578237.db2.gz NEZSKBVUYQTGBR-KURKYZTESA-N 1 2 341.455 3.711 20 0 EHADLO CC(=O)c1ccc(NC(=S)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001196553095 1135579368 /nfs/dbraw/zinc/57/93/68/1135579368.db2.gz NCRCYWYXGQCBSP-UHFFFAOYSA-N 1 2 336.420 3.884 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C2(C(F)F)CCCC2)[nH+]1 ZINC000807928466 1135591579 /nfs/dbraw/zinc/59/15/79/1135591579.db2.gz ALGCLXGSAXQVOZ-UHFFFAOYSA-N 1 2 341.398 3.708 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1 ZINC001196735443 1135604907 /nfs/dbraw/zinc/60/49/07/1135604907.db2.gz GBLMFZBIVLJFIV-GOSISDBHSA-N 1 2 331.843 3.647 20 0 EHADLO COC1(CC[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CCC1 ZINC001196744568 1135606539 /nfs/dbraw/zinc/60/65/39/1135606539.db2.gz AKDSMWDEOCXDJA-IBGZPJMESA-N 1 2 345.483 3.632 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(F)n1 ZINC000794427987 1135618328 /nfs/dbraw/zinc/61/83/28/1135618328.db2.gz OLBMHMOQCDQSIN-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808134807 1135621170 /nfs/dbraw/zinc/62/11/70/1135621170.db2.gz ACLHPAPVGYGYMR-KRWDZBQOSA-N 1 2 343.858 3.734 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808134807 1135621173 /nfs/dbraw/zinc/62/11/73/1135621173.db2.gz ACLHPAPVGYGYMR-KRWDZBQOSA-N 1 2 343.858 3.734 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808135183 1135621328 /nfs/dbraw/zinc/62/13/28/1135621328.db2.gz HWYYNJKATYLFGU-UHFFFAOYSA-N 1 2 347.821 3.811 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808135183 1135621330 /nfs/dbraw/zinc/62/13/30/1135621330.db2.gz HWYYNJKATYLFGU-UHFFFAOYSA-N 1 2 347.821 3.811 20 0 EHADLO CC(C)c1cc(N[C@H]2COc3ccccc3[C@H]2O)nc(C(C)C)[nH+]1 ZINC000808167682 1135629767 /nfs/dbraw/zinc/62/97/67/1135629767.db2.gz HCJJQJOEVWMXFA-MAUKXSAKSA-N 1 2 327.428 3.630 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(=O)c2ccccc12 ZINC000747467270 1135630762 /nfs/dbraw/zinc/63/07/62/1135630762.db2.gz IUCQJJFDZQDLIY-IEBWSBKVSA-N 1 2 347.462 3.616 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(=O)c2ccccc12 ZINC000747467270 1135630765 /nfs/dbraw/zinc/63/07/65/1135630765.db2.gz IUCQJJFDZQDLIY-IEBWSBKVSA-N 1 2 347.462 3.616 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CCC[C@H](C4CC4)C3)[nH]2)cc1 ZINC000808227916 1135632853 /nfs/dbraw/zinc/63/28/53/1135632853.db2.gz PFYIXQJBTKILDK-HNNXBMFYSA-N 1 2 344.484 3.696 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CCC[C@H](C4CC4)C3)[nH]2)cc1 ZINC000808227916 1135632858 /nfs/dbraw/zinc/63/28/58/1135632858.db2.gz PFYIXQJBTKILDK-HNNXBMFYSA-N 1 2 344.484 3.696 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)c(C)o1 ZINC001197177431 1135657081 /nfs/dbraw/zinc/65/70/81/1135657081.db2.gz PWGJYVZDEXEPAY-UHFFFAOYSA-N 1 2 333.815 3.895 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)c(C)o1 ZINC001197177431 1135657085 /nfs/dbraw/zinc/65/70/85/1135657085.db2.gz PWGJYVZDEXEPAY-UHFFFAOYSA-N 1 2 333.815 3.895 20 0 EHADLO COc1ccc(C[N@H+](CCO)Cc2nc3cc(C)ccc3s2)cc1 ZINC001197273184 1135668722 /nfs/dbraw/zinc/66/87/22/1135668722.db2.gz HHVQSYYJVPHUBP-UHFFFAOYSA-N 1 2 342.464 3.608 20 0 EHADLO COc1ccc(C[N@@H+](CCO)Cc2nc3cc(C)ccc3s2)cc1 ZINC001197273184 1135668725 /nfs/dbraw/zinc/66/87/25/1135668725.db2.gz HHVQSYYJVPHUBP-UHFFFAOYSA-N 1 2 342.464 3.608 20 0 EHADLO OCc1ccc2c(c1)CC[N@@H+](Cc1ccc(Br)s1)C2 ZINC001137641135 1135705925 /nfs/dbraw/zinc/70/59/25/1135705925.db2.gz KIHNZNHUNVOFOF-UHFFFAOYSA-N 1 2 338.270 3.561 20 0 EHADLO OCc1ccc2c(c1)CC[N@H+](Cc1ccc(Br)s1)C2 ZINC001137641135 1135705928 /nfs/dbraw/zinc/70/59/28/1135705928.db2.gz KIHNZNHUNVOFOF-UHFFFAOYSA-N 1 2 338.270 3.561 20 0 EHADLO O[C@@H](CC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccccc1 ZINC000808720018 1135721853 /nfs/dbraw/zinc/72/18/53/1135721853.db2.gz LOKSDSZLJIXZOO-OALUTQOASA-N 1 2 331.843 3.837 20 0 EHADLO O[C@@H](CC[N@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccccc1 ZINC000808720018 1135721860 /nfs/dbraw/zinc/72/18/60/1135721860.db2.gz LOKSDSZLJIXZOO-OALUTQOASA-N 1 2 331.843 3.837 20 0 EHADLO CO[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1C(F)(F)F ZINC001131517170 1135761236 /nfs/dbraw/zinc/76/12/36/1135761236.db2.gz XZRDSSFWEARJQK-HNNXBMFYSA-N 1 2 349.312 3.679 20 0 EHADLO CCC[C@H]1CCC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC001198429879 1135814410 /nfs/dbraw/zinc/81/44/10/1135814410.db2.gz ODBYVHJKEBYQKF-HNNXBMFYSA-N 1 2 344.484 3.863 20 0 EHADLO CCC[C@H]1CCC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC001198429879 1135814413 /nfs/dbraw/zinc/81/44/13/1135814413.db2.gz ODBYVHJKEBYQKF-HNNXBMFYSA-N 1 2 344.484 3.863 20 0 EHADLO CC[C@H](C)CC[C@H](O)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809404815 1135837389 /nfs/dbraw/zinc/83/73/89/1135837389.db2.gz TZWSVWWCZXJHEB-YOEHRIQHSA-N 1 2 340.427 3.652 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC ZINC001170579589 1135838330 /nfs/dbraw/zinc/83/83/30/1135838330.db2.gz VGRAPCDDQMMDSV-HOTGVXAUSA-N 1 2 343.508 3.989 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131733022 1135846174 /nfs/dbraw/zinc/84/61/74/1135846174.db2.gz RYEUDPYAQYTJBQ-GOSISDBHSA-N 1 2 346.515 3.946 20 0 EHADLO Cn1ncc2c1C[N@H+](Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC001137956542 1135846547 /nfs/dbraw/zinc/84/65/47/1135846547.db2.gz UKVBLIHRRABVTK-UHFFFAOYSA-N 1 2 327.375 3.590 20 0 EHADLO Cn1ncc2c1C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC001137956542 1135846549 /nfs/dbraw/zinc/84/65/49/1135846549.db2.gz UKVBLIHRRABVTK-UHFFFAOYSA-N 1 2 327.375 3.590 20 0 EHADLO CC(C)[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(F)cc1 ZINC000809545226 1135854332 /nfs/dbraw/zinc/85/43/32/1135854332.db2.gz JQVMFIWQFCTITG-UHFFFAOYSA-N 1 2 336.432 3.738 20 0 EHADLO CC(C)[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(F)cc1 ZINC000809545226 1135854337 /nfs/dbraw/zinc/85/43/37/1135854337.db2.gz JQVMFIWQFCTITG-UHFFFAOYSA-N 1 2 336.432 3.738 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1F ZINC000809603043 1135861207 /nfs/dbraw/zinc/86/12/07/1135861207.db2.gz HYKQAMKNKUHDAE-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC3(c4c(F)cccc4F)CCC3)ccn12 ZINC001131804931 1135864978 /nfs/dbraw/zinc/86/49/78/1135864978.db2.gz SXYJSVBOCKYECL-UHFFFAOYSA-N 1 2 341.361 3.730 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000809653676 1135865745 /nfs/dbraw/zinc/86/57/45/1135865745.db2.gz CVANZUYEVAHUSG-UVTDQMKNSA-N 1 2 330.453 3.724 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000809653676 1135865749 /nfs/dbraw/zinc/86/57/49/1135865749.db2.gz CVANZUYEVAHUSG-UVTDQMKNSA-N 1 2 330.453 3.724 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000809692893 1135867088 /nfs/dbraw/zinc/86/70/88/1135867088.db2.gz IZTXBZGSAFPPFO-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+](C)[C@@H]1CCCOC1 ZINC000809692893 1135867091 /nfs/dbraw/zinc/86/70/91/1135867091.db2.gz IZTXBZGSAFPPFO-QGZVFWFLSA-N 1 2 347.890 3.812 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737357 1135882347 /nfs/dbraw/zinc/88/23/47/1135882347.db2.gz GQAMZQYXWFWBMN-UHFFFAOYSA-N 1 2 340.254 3.845 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737357 1135882349 /nfs/dbraw/zinc/88/23/49/1135882349.db2.gz GQAMZQYXWFWBMN-UHFFFAOYSA-N 1 2 340.254 3.845 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)o1 ZINC000809743618 1135884105 /nfs/dbraw/zinc/88/41/05/1135884105.db2.gz XNEJMUKFXKRXTH-UHFFFAOYSA-N 1 2 345.367 3.795 20 0 EHADLO CSc1cc(C)nc(SC)c1NC(=O)c1c[nH+]ccc1N(C)C ZINC001199348610 1135896821 /nfs/dbraw/zinc/89/68/21/1135896821.db2.gz SPTSKYPBLJCWGI-UHFFFAOYSA-N 1 2 348.497 3.547 20 0 EHADLO C[C@H](CC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1)n1cc[nH+]c1 ZINC001132093308 1135924583 /nfs/dbraw/zinc/92/45/83/1135924583.db2.gz MYMWAUBLEVEAQU-WIYYLYMNSA-N 1 2 337.467 3.920 20 0 EHADLO CC[C@@H](C)n1nc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776029023 1135934342 /nfs/dbraw/zinc/93/43/42/1135934342.db2.gz CATVTWXFMRFWTB-HIFRSBDPSA-N 1 2 346.479 3.595 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000776085231 1135951380 /nfs/dbraw/zinc/95/13/80/1135951380.db2.gz IIJLEBOVPRTIJN-IUODEOHRSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1c(Cl)nccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000810291748 1135953249 /nfs/dbraw/zinc/95/32/49/1135953249.db2.gz UXHBOUVDJBXTIX-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO CCc1ccccc1NC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001201155720 1135989811 /nfs/dbraw/zinc/98/98/11/1135989811.db2.gz LDRQOSNQOJEVDB-UHFFFAOYSA-N 1 2 328.485 3.732 20 0 EHADLO CCCn1c[nH+]cc1CN[C@H](c1ccco1)c1ccccc1OC ZINC001201180355 1135992745 /nfs/dbraw/zinc/99/27/45/1135992745.db2.gz TZFQHYWDVXRINH-IBGZPJMESA-N 1 2 325.412 3.774 20 0 EHADLO Nc1ccc(Nc2cc3cc(Br)cc(F)c3cn2)c[nH+]1 ZINC001201279892 1136000665 /nfs/dbraw/zinc/00/06/65/1136000665.db2.gz VUJKVJZLJBVAGT-UHFFFAOYSA-N 1 2 333.164 3.857 20 0 EHADLO COc1cccc(-c2csc(CNc3ccc(N(C)C)[nH+]c3)n2)c1 ZINC001201364240 1136008575 /nfs/dbraw/zinc/00/85/75/1136008575.db2.gz ALIYJOMYGKXTFN-UHFFFAOYSA-N 1 2 340.452 3.892 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCSC1 ZINC000810872430 1136015100 /nfs/dbraw/zinc/01/51/00/1136015100.db2.gz DAKNDUIPOGFMEJ-OAHLLOKOSA-N 1 2 342.464 3.935 20 0 EHADLO O=c1[nH]ccc2c1CC[N@@H+](C/C(Br)=C/c1ccccc1)C2 ZINC001201464670 1136023462 /nfs/dbraw/zinc/02/34/62/1136023462.db2.gz VKSFRQMQBIVLLJ-GDNBJRDFSA-N 1 2 345.240 3.581 20 0 EHADLO O=c1[nH]ccc2c1CC[N@H+](C/C(Br)=C/c1ccccc1)C2 ZINC001201464670 1136023465 /nfs/dbraw/zinc/02/34/65/1136023465.db2.gz VKSFRQMQBIVLLJ-GDNBJRDFSA-N 1 2 345.240 3.581 20 0 EHADLO Cc1cc(C)cc(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747661126 1136027544 /nfs/dbraw/zinc/02/75/44/1136027544.db2.gz ZIMXGSZNYOAWEA-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO Clc1cncc(Cl)c1N1CC[NH+](CCc2ccccc2)CC1 ZINC001201603738 1136045761 /nfs/dbraw/zinc/04/57/61/1136045761.db2.gz PIOPONSADAARMT-UHFFFAOYSA-N 1 2 336.266 3.753 20 0 EHADLO Brc1nc2c(s1)C[N@H+](CCCc1ccccc1)CC2 ZINC001201664131 1136053738 /nfs/dbraw/zinc/05/37/38/1136053738.db2.gz WCDQWFAPGYGHSD-UHFFFAOYSA-N 1 2 337.286 3.897 20 0 EHADLO Brc1nc2c(s1)C[N@@H+](CCCc1ccccc1)CC2 ZINC001201664131 1136053740 /nfs/dbraw/zinc/05/37/40/1136053740.db2.gz WCDQWFAPGYGHSD-UHFFFAOYSA-N 1 2 337.286 3.897 20 0 EHADLO Cc1nc(Cl)sc1S(=O)(=O)Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001201733620 1136062265 /nfs/dbraw/zinc/06/22/65/1136062265.db2.gz WDTCXGXXDAPHSL-UHFFFAOYSA-N 1 2 345.877 3.598 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[NH2+]Cc1nc(CO)cs1 ZINC001201902067 1136071710 /nfs/dbraw/zinc/07/17/10/1136071710.db2.gz UAJOGQVTUQHIJN-UHFFFAOYSA-N 1 2 342.464 3.866 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1F)Nc1ccccc1F ZINC001202010412 1136081239 /nfs/dbraw/zinc/08/12/39/1136081239.db2.gz YWGXEBAXUHJOKM-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2OC)c(F)c1 ZINC001202000228 1136085004 /nfs/dbraw/zinc/08/50/04/1136085004.db2.gz NKQMKYKCAYZKQL-UHFFFAOYSA-N 1 2 337.778 3.564 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1c(F)cccc1F ZINC001202050351 1136086432 /nfs/dbraw/zinc/08/64/32/1136086432.db2.gz ULTBCYORTMNCED-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000811467154 1136090678 /nfs/dbraw/zinc/09/06/78/1136090678.db2.gz GPBXUFPXJBGIKR-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000811467154 1136090681 /nfs/dbraw/zinc/09/06/81/1136090681.db2.gz GPBXUFPXJBGIKR-NVXWUHKLSA-N 1 2 349.521 3.795 20 0 EHADLO CC1(C)C(=O)N(C[NH+]2CCC(=Cc3ccccc3F)CC2)[C@H]1C1CC1 ZINC000811755759 1136136639 /nfs/dbraw/zinc/13/66/39/1136136639.db2.gz RLANMSGRHLUPAZ-IBGZPJMESA-N 1 2 342.458 3.909 20 0 EHADLO Cn1c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc2ccccc21 ZINC001133033362 1136146505 /nfs/dbraw/zinc/14/65/05/1136146505.db2.gz WXFANNPDFMWLEE-SFHVURJKSA-N 1 2 344.418 3.546 20 0 EHADLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)OCc1ccccc1 ZINC000108362078 1136185874 /nfs/dbraw/zinc/18/58/74/1136185874.db2.gz XLWCZZHANCUUIS-UHFFFAOYSA-N 1 2 331.456 3.544 20 0 EHADLO CC(C)[N@H+](Cn1c(=S)snc1-c1ccccc1)[C@@H]1CCOC1 ZINC000812291086 1136192279 /nfs/dbraw/zinc/19/22/79/1136192279.db2.gz KBEUBWGXEVGGAJ-CQSZACIVSA-N 1 2 335.498 3.798 20 0 EHADLO CC(C)[N@@H+](Cn1c(=S)snc1-c1ccccc1)[C@@H]1CCOC1 ZINC000812291086 1136192280 /nfs/dbraw/zinc/19/22/80/1136192280.db2.gz KBEUBWGXEVGGAJ-CQSZACIVSA-N 1 2 335.498 3.798 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000747782380 1136193651 /nfs/dbraw/zinc/19/36/51/1136193651.db2.gz HTLBPJZDQHOKLP-JTQLQIEISA-N 1 2 327.211 3.649 20 0 EHADLO COc1ccccc1/C=C(/C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000747783796 1136196645 /nfs/dbraw/zinc/19/66/45/1136196645.db2.gz VPILYBPPEUQQLS-XDHOZWIPSA-N 1 2 348.402 3.713 20 0 EHADLO Cc1[nH]c(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)[nH+]c1C ZINC000850208211 1136220925 /nfs/dbraw/zinc/22/09/25/1136220925.db2.gz GBMDCCQHYDFQGZ-CQSZACIVSA-N 1 2 335.835 3.850 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000850303065 1136232939 /nfs/dbraw/zinc/23/29/39/1136232939.db2.gz RCHWQFQLYJZXJM-LEWJYISDSA-N 1 2 348.450 3.568 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001133455341 1136253702 /nfs/dbraw/zinc/25/37/02/1136253702.db2.gz HHBNCQKJZOHKEM-UHFFFAOYSA-N 1 2 326.440 3.960 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000812886174 1136265592 /nfs/dbraw/zinc/26/55/92/1136265592.db2.gz AWNWEZIVIYCVBF-CYBMUJFWSA-N 1 2 335.391 3.536 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000812886174 1136265596 /nfs/dbraw/zinc/26/55/96/1136265596.db2.gz AWNWEZIVIYCVBF-CYBMUJFWSA-N 1 2 335.391 3.536 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000007466230 1136282209 /nfs/dbraw/zinc/28/22/09/1136282209.db2.gz YNLUOWAXGQUUJI-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO CCCc1cnc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000776488366 1136298841 /nfs/dbraw/zinc/29/88/41/1136298841.db2.gz USLQOIHINHQWLE-CYBMUJFWSA-N 1 2 335.477 3.529 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699108 1136306520 /nfs/dbraw/zinc/30/65/20/1136306520.db2.gz FWZJODUGPREATQ-RHSMWYFYSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2[C@@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699108 1136306524 /nfs/dbraw/zinc/30/65/24/1136306524.db2.gz FWZJODUGPREATQ-RHSMWYFYSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H]2CCCC3(CC3)C2)[nH+]1 ZINC000850840443 1136310290 /nfs/dbraw/zinc/31/02/90/1136310290.db2.gz SYRHVDXHXONCBZ-KRWDZBQOSA-N 1 2 331.456 3.853 20 0 EHADLO O=C(/C=C/COc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000813397288 1136327114 /nfs/dbraw/zinc/32/71/14/1136327114.db2.gz AUIZXVHXPKMCTH-QPJJXVBHSA-N 1 2 337.354 3.585 20 0 EHADLO CCC(=O)Nc1ccccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000813429136 1136335514 /nfs/dbraw/zinc/33/55/14/1136335514.db2.gz MICLMCUERATFJX-UHFFFAOYSA-N 1 2 334.379 3.678 20 0 EHADLO O=C(CCc1cccs1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851396989 1136376072 /nfs/dbraw/zinc/37/60/72/1136376072.db2.gz ADPVBYONBHWEPQ-UHFFFAOYSA-N 1 2 330.453 3.536 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398870 1136376192 /nfs/dbraw/zinc/37/61/92/1136376192.db2.gz HBJZFVRLCWYCET-UHFFFAOYSA-N 1 2 326.440 3.588 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1(C(F)(F)F)CCC1 ZINC000851400674 1136376474 /nfs/dbraw/zinc/37/64/74/1136376474.db2.gz LVWDCMAEFMCLDK-UHFFFAOYSA-N 1 2 342.361 3.574 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc2ncccc2c1 ZINC000851400159 1136376747 /nfs/dbraw/zinc/37/67/47/1136376747.db2.gz UIFOYHHRJRHUDF-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO CC(C)c1ncsc1C(=O)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851469041 1136381487 /nfs/dbraw/zinc/38/14/87/1136381487.db2.gz HQQKIZYQBDMZHG-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)c1ncsc1C(=O)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851469041 1136381492 /nfs/dbraw/zinc/38/14/92/1136381492.db2.gz HQQKIZYQBDMZHG-OAHLLOKOSA-N 1 2 330.453 3.698 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC000851733729 1136402602 /nfs/dbraw/zinc/40/26/02/1136402602.db2.gz FOHBOFJZSVLEPZ-CYBMUJFWSA-N 1 2 347.484 3.785 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000851733729 1136402604 /nfs/dbraw/zinc/40/26/04/1136402604.db2.gz FOHBOFJZSVLEPZ-CYBMUJFWSA-N 1 2 347.484 3.785 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nsc2ccccc12 ZINC000851842118 1136413640 /nfs/dbraw/zinc/41/36/40/1136413640.db2.gz PBERUQFJTFPIHJ-LBPRGKRZSA-N 1 2 335.473 3.641 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nsc2ccccc12 ZINC000851842118 1136413642 /nfs/dbraw/zinc/41/36/42/1136413642.db2.gz PBERUQFJTFPIHJ-LBPRGKRZSA-N 1 2 335.473 3.641 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1Oc1cccnc1 ZINC000814181175 1136418005 /nfs/dbraw/zinc/41/80/05/1136418005.db2.gz XDDLGXNQCIFBIZ-QGZVFWFLSA-N 1 2 340.423 3.708 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1Oc1cccnc1 ZINC000814181175 1136418009 /nfs/dbraw/zinc/41/80/09/1136418009.db2.gz XDDLGXNQCIFBIZ-QGZVFWFLSA-N 1 2 340.423 3.708 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(=S)n1C ZINC000814225509 1136425413 /nfs/dbraw/zinc/42/54/13/1136425413.db2.gz IOQJRWBVILMZPZ-INIZCTEOSA-N 1 2 330.501 3.912 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000851986974 1136425401 /nfs/dbraw/zinc/42/54/01/1136425401.db2.gz QMNGUJBSCMNNBE-UHFFFAOYSA-N 1 2 332.831 3.689 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(=S)n1C ZINC000814225509 1136425417 /nfs/dbraw/zinc/42/54/17/1136425417.db2.gz IOQJRWBVILMZPZ-INIZCTEOSA-N 1 2 330.501 3.912 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000814224439 1136425660 /nfs/dbraw/zinc/42/56/60/1136425660.db2.gz HGIMBRBZOQVCCH-GOSISDBHSA-N 1 2 339.483 3.550 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000814224439 1136425662 /nfs/dbraw/zinc/42/56/62/1136425662.db2.gz HGIMBRBZOQVCCH-GOSISDBHSA-N 1 2 339.483 3.550 20 0 EHADLO Fc1cccc(C[NH2+]Cc2ccc(Cl)cc2Br)n1 ZINC000747936264 1136443705 /nfs/dbraw/zinc/44/37/05/1136443705.db2.gz SOLAMUUGCBBCIT-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO O=C1CCC2=C(CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)N1 ZINC000852294906 1136446042 /nfs/dbraw/zinc/44/60/42/1136446042.db2.gz NESOVNZSLZTWPF-UHFFFAOYSA-N 1 2 344.764 3.729 20 0 EHADLO O=C1CCC2=C(CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)N1 ZINC000852294906 1136446044 /nfs/dbraw/zinc/44/60/44/1136446044.db2.gz NESOVNZSLZTWPF-UHFFFAOYSA-N 1 2 344.764 3.729 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1F ZINC000852449571 1136457082 /nfs/dbraw/zinc/45/70/82/1136457082.db2.gz VUZGURZEVZUJRB-FQEVSTJZSA-N 1 2 338.430 3.952 20 0 EHADLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748965 1136458947 /nfs/dbraw/zinc/45/89/47/1136458947.db2.gz BMYFAIJFQSWVTB-LFVTVUPYSA-N 1 2 329.488 3.621 20 0 EHADLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170748965 1136458950 /nfs/dbraw/zinc/45/89/50/1136458950.db2.gz BMYFAIJFQSWVTB-LFVTVUPYSA-N 1 2 329.488 3.621 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544677 1136464438 /nfs/dbraw/zinc/46/44/38/1136464438.db2.gz WJFMGHRXIHDKHF-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544677 1136464443 /nfs/dbraw/zinc/46/44/43/1136464443.db2.gz WJFMGHRXIHDKHF-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@H]1c1cccc(F)c1)c1cc2ccccc2o1 ZINC000852547963 1136465447 /nfs/dbraw/zinc/46/54/47/1136465447.db2.gz JSWINEPYHDIFRV-ZWKOTPCHSA-N 1 2 341.382 3.679 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@H]1c1cccc(F)c1)c1cc2ccccc2o1 ZINC000852547963 1136465448 /nfs/dbraw/zinc/46/54/48/1136465448.db2.gz JSWINEPYHDIFRV-ZWKOTPCHSA-N 1 2 341.382 3.679 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000852729983 1136481230 /nfs/dbraw/zinc/48/12/30/1136481230.db2.gz MUFJGIDLCZKPLQ-UHFFFAOYSA-N 1 2 339.439 3.808 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1=S ZINC000853554962 1136544210 /nfs/dbraw/zinc/54/42/10/1136544210.db2.gz QRZYUXKOXLULIQ-GFCCVEGCSA-N 1 2 330.448 3.748 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1=S ZINC000853554962 1136544213 /nfs/dbraw/zinc/54/42/13/1136544213.db2.gz QRZYUXKOXLULIQ-GFCCVEGCSA-N 1 2 330.448 3.748 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccnc(Br)c1 ZINC000815058753 1136544384 /nfs/dbraw/zinc/54/43/84/1136544384.db2.gz RXIYJHMYPYSSRE-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccnc(Br)c1 ZINC000815058753 1136544387 /nfs/dbraw/zinc/54/43/87/1136544387.db2.gz RXIYJHMYPYSSRE-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@H](C3CCC3)C1)c2=O ZINC000853590187 1136547189 /nfs/dbraw/zinc/54/71/89/1136547189.db2.gz SQEJGPPYRADGOY-HNNXBMFYSA-N 1 2 331.485 3.544 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@H](C3CCC3)C1)c2=O ZINC000853590187 1136547191 /nfs/dbraw/zinc/54/71/91/1136547191.db2.gz SQEJGPPYRADGOY-HNNXBMFYSA-N 1 2 331.485 3.544 20 0 EHADLO C[N@H+](C[C@H]1CCc2ccccc21)Cn1nc2n(c1=S)CCCCC2 ZINC000853608904 1136549018 /nfs/dbraw/zinc/54/90/18/1136549018.db2.gz AHQNPMPPJKYOTM-MRXNPFEDSA-N 1 2 342.512 3.760 20 0 EHADLO C[N@@H+](C[C@H]1CCc2ccccc21)Cn1nc2n(c1=S)CCCCC2 ZINC000853608904 1136549019 /nfs/dbraw/zinc/54/90/19/1136549019.db2.gz AHQNPMPPJKYOTM-MRXNPFEDSA-N 1 2 342.512 3.760 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)c2cc1C ZINC000853614808 1136549515 /nfs/dbraw/zinc/54/95/15/1136549515.db2.gz MYCSPHHZPDZQNE-UONOGXRCSA-N 1 2 341.377 3.652 20 0 EHADLO Cc1cc2ncn(C[N@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)c2cc1C ZINC000853614808 1136549517 /nfs/dbraw/zinc/54/95/17/1136549517.db2.gz MYCSPHHZPDZQNE-UONOGXRCSA-N 1 2 341.377 3.652 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)o1 ZINC000815143369 1136561863 /nfs/dbraw/zinc/56/18/63/1136561863.db2.gz JIJJGWDTRINSBX-CYBMUJFWSA-N 1 2 328.391 3.974 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc3c(c2)COC3)C[C@@](C)(C(F)(F)F)O1 ZINC000815147140 1136562706 /nfs/dbraw/zinc/56/27/06/1136562706.db2.gz XJQQPWFKUGVCPT-INIZCTEOSA-N 1 2 329.362 3.649 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@](C)(C(F)(F)F)O1 ZINC000815147140 1136562710 /nfs/dbraw/zinc/56/27/10/1136562710.db2.gz XJQQPWFKUGVCPT-INIZCTEOSA-N 1 2 329.362 3.649 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC(C)=C(Br)C2)o1 ZINC000797605907 1136567882 /nfs/dbraw/zinc/56/78/82/1136567882.db2.gz YEZLUPHBWFGEEU-UHFFFAOYSA-N 1 2 336.233 3.853 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC(C)=C(Br)C2)o1 ZINC000797605907 1136567888 /nfs/dbraw/zinc/56/78/88/1136567888.db2.gz YEZLUPHBWFGEEU-UHFFFAOYSA-N 1 2 336.233 3.853 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000854146589 1136592075 /nfs/dbraw/zinc/59/20/75/1136592075.db2.gz VXRXVFNCQMHKBJ-KRWDZBQOSA-N 1 2 345.443 3.873 20 0 EHADLO CC(C)(C)Sc1c(F)cc(NC(=O)Cc2[nH]cc[nH+]2)cc1F ZINC000854764424 1136642796 /nfs/dbraw/zinc/64/27/96/1136642796.db2.gz VOOOWPWLFQMSHV-UHFFFAOYSA-N 1 2 325.384 3.760 20 0 EHADLO c1cn(-c2ccc(-c3ccc(NCOc4ccccc4)nn3)cc2)c[nH+]1 ZINC001170804211 1136645470 /nfs/dbraw/zinc/64/54/70/1136645470.db2.gz NJLAGWYDXWAIBJ-UHFFFAOYSA-N 1 2 343.390 3.778 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815967616 1136655226 /nfs/dbraw/zinc/65/52/26/1136655226.db2.gz GYVIADJHNLRCRT-UHFFFAOYSA-N 1 2 349.818 3.537 20 0 EHADLO CC(C)CN(CCc1ccc(F)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776806571 1136686402 /nfs/dbraw/zinc/68/64/02/1136686402.db2.gz POWADSKUJLOMHG-UHFFFAOYSA-N 1 2 339.414 3.814 20 0 EHADLO Cn1ncc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1Cl ZINC000816487078 1136723967 /nfs/dbraw/zinc/72/39/67/1136723967.db2.gz CKGVGSILQWCAKE-UHFFFAOYSA-N 1 2 340.254 3.770 20 0 EHADLO Cc1cc(-c2csc(NC(=O)c3cccc4[nH+]ccn43)n2)c(C)o1 ZINC000776843620 1136740185 /nfs/dbraw/zinc/74/01/85/1136740185.db2.gz ZANFAWYHZDICMS-UHFFFAOYSA-N 1 2 338.392 3.920 20 0 EHADLO Clc1nccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1Cl ZINC000816657458 1136745407 /nfs/dbraw/zinc/74/54/07/1136745407.db2.gz SEUDKXKIIGLNFZ-AWEZNQCLSA-N 1 2 327.255 3.779 20 0 EHADLO Clc1nccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1Cl ZINC000816657458 1136745409 /nfs/dbraw/zinc/74/54/09/1136745409.db2.gz SEUDKXKIIGLNFZ-AWEZNQCLSA-N 1 2 327.255 3.779 20 0 EHADLO CCOc1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cc1 ZINC001135674401 1136749468 /nfs/dbraw/zinc/74/94/68/1136749468.db2.gz RYRKCFYQBCQGCM-UHFFFAOYSA-N 1 2 333.391 3.898 20 0 EHADLO CC(C)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000816915447 1136765504 /nfs/dbraw/zinc/76/55/04/1136765504.db2.gz AGXILCSRJDXZBQ-AWEZNQCLSA-N 1 2 339.361 3.875 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCSCc3ccc(C)cc3)ccn12 ZINC001135825067 1136782097 /nfs/dbraw/zinc/78/20/97/1136782097.db2.gz DLMAVEJLKVJOGG-UHFFFAOYSA-N 1 2 339.464 3.614 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cn1cc(C)cnc1=S)C2 ZINC000817378279 1136801381 /nfs/dbraw/zinc/80/13/81/1136801381.db2.gz RWEMCVZZVJZOCC-UHFFFAOYSA-N 1 2 345.468 3.560 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cn1cc(C)cnc1=S)C2 ZINC000817378279 1136801384 /nfs/dbraw/zinc/80/13/84/1136801384.db2.gz RWEMCVZZVJZOCC-UHFFFAOYSA-N 1 2 345.468 3.560 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000856737955 1136805175 /nfs/dbraw/zinc/80/51/75/1136805175.db2.gz QWADNDNESHIAJH-OWBHPGMISA-N 1 2 332.494 3.557 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000856737956 1136805261 /nfs/dbraw/zinc/80/52/61/1136805261.db2.gz QWADNDNESHIAJH-WYMLVPIESA-N 1 2 332.494 3.557 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1F ZINC001138030866 1136814030 /nfs/dbraw/zinc/81/40/30/1136814030.db2.gz VLERVHKRQWIQAS-HZMBPMFUSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1F ZINC001138030866 1136814034 /nfs/dbraw/zinc/81/40/34/1136814034.db2.gz VLERVHKRQWIQAS-HZMBPMFUSA-N 1 2 339.760 3.923 20 0 EHADLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000856822364 1136815596 /nfs/dbraw/zinc/81/55/96/1136815596.db2.gz KDCVMIPJWHEVHQ-RDJZCZTQSA-N 1 2 343.414 3.541 20 0 EHADLO CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)C(C)C ZINC001136076037 1136852322 /nfs/dbraw/zinc/85/23/22/1136852322.db2.gz SQRZZOTWHHYIGT-HXUWFJFHSA-N 1 2 346.515 3.802 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)n1 ZINC000818345657 1136873701 /nfs/dbraw/zinc/87/37/01/1136873701.db2.gz WWPXOWCEZZQLIC-QGZVFWFLSA-N 1 2 328.460 3.733 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)c2ccccc2C)c(C)c1 ZINC000818614088 1136886007 /nfs/dbraw/zinc/88/60/07/1136886007.db2.gz QIADGHZRMUPPLC-INIZCTEOSA-N 1 2 339.439 3.794 20 0 EHADLO CCCCCC[C@@H](O)CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001136185896 1136911366 /nfs/dbraw/zinc/91/13/66/1136911366.db2.gz UAVSYJIZKSUOMF-MRXNPFEDSA-N 1 2 329.444 3.922 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cc(C)c(F)cc2Br)o1 ZINC000858174829 1136946671 /nfs/dbraw/zinc/94/66/71/1136946671.db2.gz XDWNNCPAQYQMGK-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(Cc1ccccc1)Cc1ccccc1 ZINC000857979502 1136926860 /nfs/dbraw/zinc/92/68/60/1136926860.db2.gz PLHCUIVKLNSPKO-FQEVSTJZSA-N 1 2 345.446 3.546 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@H]1CCn4c[nH+]cc41)(C2)C3 ZINC000857981585 1136926972 /nfs/dbraw/zinc/92/69/72/1136926972.db2.gz HIMILFHTWCFUIH-WMLOPIRWSA-N 1 2 327.472 3.831 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cc(C)c(F)cc1Br ZINC000858174867 1136946694 /nfs/dbraw/zinc/94/66/94/1136946694.db2.gz XCENCVHMFVDDGX-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc3[nH+]ccn32)cc1Br ZINC000777012574 1136953585 /nfs/dbraw/zinc/95/35/85/1136953585.db2.gz OQUBOTGFORQPBY-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)cnc1Cl)c1ccns1 ZINC000858319025 1136958051 /nfs/dbraw/zinc/95/80/51/1136958051.db2.gz XKMTWIAGZSCSRG-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO CCn1nc(C)c(CNc2[nH+]ccc3cc(Br)ccc32)n1 ZINC000819935232 1136968209 /nfs/dbraw/zinc/96/82/09/1136968209.db2.gz IRDHOSNRVYBYGA-UHFFFAOYSA-N 1 2 346.232 3.529 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858581962 1136980574 /nfs/dbraw/zinc/98/05/74/1136980574.db2.gz QFSNILPZISWWAQ-CQSZACIVSA-N 1 2 349.438 3.648 20 0 EHADLO CCCOc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000858604661 1136982091 /nfs/dbraw/zinc/98/20/91/1136982091.db2.gz NUUMYCDRVHVQPR-UHFFFAOYSA-N 1 2 341.455 3.960 20 0 EHADLO CC[C@@H]1CCc2nc(NC(=O)C(C)(C)n3c[nH+]c(C)c3)sc2C1 ZINC001136323855 1136987070 /nfs/dbraw/zinc/98/70/70/1136987070.db2.gz OBWAEAWHCPPWKZ-GFCCVEGCSA-N 1 2 332.473 3.537 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000858727865 1136989343 /nfs/dbraw/zinc/98/93/43/1136989343.db2.gz RDTRLVBRKANJLS-QRVBRYPASA-N 1 2 339.483 3.998 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc2c(c1)CCO2 ZINC000805748431 1136994253 /nfs/dbraw/zinc/99/42/53/1136994253.db2.gz OFDNBPNMBXZQJS-GHMZBOCLSA-N 1 2 348.244 3.586 20 0 EHADLO CCCOC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000859009928 1137000113 /nfs/dbraw/zinc/00/01/13/1137000113.db2.gz AUAKCIQBATVTHT-UHFFFAOYSA-N 1 2 348.491 3.746 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1OC(F)F ZINC000859229140 1137008657 /nfs/dbraw/zinc/00/86/57/1137008657.db2.gz XMWXTMZMVFFTPJ-LBPRGKRZSA-N 1 2 329.778 3.916 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3ccnc(Cl)c3)CC2)c1 ZINC000821280018 1137020060 /nfs/dbraw/zinc/02/00/60/1137020060.db2.gz RGMXVLILAHFNBR-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO O=C1C[C@]2(CCC[N@@H+](Cc3ccnc(Cl)c3)C2)Oc2ccccc21 ZINC000859580615 1137021067 /nfs/dbraw/zinc/02/10/67/1137021067.db2.gz UKKZNHAWWYUZSE-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO O=C1C[C@]2(CCC[N@H+](Cc3ccnc(Cl)c3)C2)Oc2ccccc21 ZINC000859580615 1137021069 /nfs/dbraw/zinc/02/10/69/1137021069.db2.gz UKKZNHAWWYUZSE-IBGZPJMESA-N 1 2 342.826 3.735 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367724 1137024795 /nfs/dbraw/zinc/02/47/95/1137024795.db2.gz FKFINSQXECWZHH-XJKCOSOUSA-N 1 2 330.255 3.934 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367724 1137024797 /nfs/dbraw/zinc/02/47/97/1137024797.db2.gz FKFINSQXECWZHH-XJKCOSOUSA-N 1 2 330.255 3.934 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001136468917 1137031931 /nfs/dbraw/zinc/03/19/31/1137031931.db2.gz INFFZLSZONMGSM-SFHVURJKSA-N 1 2 327.472 3.873 20 0 EHADLO C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(Cl)(Cl)Cl ZINC000821628041 1137032995 /nfs/dbraw/zinc/03/29/95/1137032995.db2.gz YBIPUQPJSHRBSP-SNVBAGLBSA-N 1 2 347.629 3.847 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000860042580 1137041490 /nfs/dbraw/zinc/04/14/90/1137041490.db2.gz HEAAWSFLSVQCNQ-SLUZZZFTSA-N 1 2 347.509 3.789 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccns3)nc(=O)c2c1C ZINC000860054900 1137042369 /nfs/dbraw/zinc/04/23/69/1137042369.db2.gz PFUIGBXLQHHVGL-BDAKNGLRSA-N 1 2 334.470 3.882 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S ZINC000117864777 1137085274 /nfs/dbraw/zinc/08/52/74/1137085274.db2.gz ZYZJIJOGDMQUPU-QGZVFWFLSA-N 1 2 345.516 3.603 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S ZINC000117864777 1137085276 /nfs/dbraw/zinc/08/52/76/1137085276.db2.gz ZYZJIJOGDMQUPU-QGZVFWFLSA-N 1 2 345.516 3.603 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000823224505 1137091262 /nfs/dbraw/zinc/09/12/62/1137091262.db2.gz OUTRRHTUBBDTMF-GFCCVEGCSA-N 1 2 345.468 3.561 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@H](C)[C@H]3CCCO3)c2)[nH+]c1C ZINC000823353413 1137095900 /nfs/dbraw/zinc/09/59/00/1137095900.db2.gz NGGKUQJRDGKKDF-YVEFUNNKSA-N 1 2 327.428 3.837 20 0 EHADLO C[C@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)C1CCCCC1 ZINC000823392598 1137097910 /nfs/dbraw/zinc/09/79/10/1137097910.db2.gz CQZHBYPPEJGPFI-OCCSQVGLSA-N 1 2 337.464 3.560 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000823393379 1137098039 /nfs/dbraw/zinc/09/80/39/1137098039.db2.gz JLNDZZWLTWUKSN-TUVASFSCSA-N 1 2 349.475 3.875 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000861350376 1137102436 /nfs/dbraw/zinc/10/24/36/1137102436.db2.gz ODANXLHTFDMUQG-VGVVRCBHSA-N 1 2 347.509 3.623 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000805827999 1137103090 /nfs/dbraw/zinc/10/30/90/1137103090.db2.gz AAUOEIXJDKKXMU-HNNXBMFYSA-N 1 2 345.468 3.521 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000805827999 1137103092 /nfs/dbraw/zinc/10/30/92/1137103092.db2.gz AAUOEIXJDKKXMU-HNNXBMFYSA-N 1 2 345.468 3.521 20 0 EHADLO CC(C)c1cc(NC(=N)c2ccc3ccccc3n2)nc(N(C)C)[nH+]1 ZINC001171045636 1137123946 /nfs/dbraw/zinc/12/39/46/1137123946.db2.gz AESNBXZWGGWUIH-UHFFFAOYSA-N 1 2 334.427 3.652 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)nc1C(C)C ZINC000824273433 1137129373 /nfs/dbraw/zinc/12/93/73/1137129373.db2.gz KDBSXALUEVIFRR-CYBMUJFWSA-N 1 2 347.488 3.720 20 0 EHADLO CCCCCC[C@@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001171051733 1137132417 /nfs/dbraw/zinc/13/24/17/1137132417.db2.gz QNKCRAWVIISXGQ-QGZVFWFLSA-N 1 2 346.519 3.769 20 0 EHADLO CC[N@H+](Cc1cn(C)nc1Br)[C@@H](C)c1ccc(F)cc1 ZINC000862228960 1137133647 /nfs/dbraw/zinc/13/36/47/1137133647.db2.gz LQZRLKPMFWCFJS-NSHDSACASA-N 1 2 340.240 3.905 20 0 EHADLO CC[N@@H+](Cc1cn(C)nc1Br)[C@@H](C)c1ccc(F)cc1 ZINC000862228960 1137133648 /nfs/dbraw/zinc/13/36/48/1137133648.db2.gz LQZRLKPMFWCFJS-NSHDSACASA-N 1 2 340.240 3.905 20 0 EHADLO O=C(c1ccccc1F)C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC001136883844 1137139790 /nfs/dbraw/zinc/13/97/90/1137139790.db2.gz GFMPRGRPUOWBPH-UHFFFAOYSA-N 1 2 337.398 3.568 20 0 EHADLO Clc1ccc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)nc1 ZINC001136931642 1137150584 /nfs/dbraw/zinc/15/05/84/1137150584.db2.gz MFJQUAVZRJKFLH-UHFFFAOYSA-N 1 2 328.843 3.916 20 0 EHADLO CC[N@H+](CC(=O)OC)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136947784 1137153700 /nfs/dbraw/zinc/15/37/00/1137153700.db2.gz QYVWHRQFQXGWOJ-UHFFFAOYSA-N 1 2 334.419 3.897 20 0 EHADLO CC[N@@H+](CC(=O)OC)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136947784 1137153701 /nfs/dbraw/zinc/15/37/01/1137153701.db2.gz QYVWHRQFQXGWOJ-UHFFFAOYSA-N 1 2 334.419 3.897 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000014307548 1137160519 /nfs/dbraw/zinc/16/05/19/1137160519.db2.gz UKURMZJNZPMKJV-QGZVFWFLSA-N 1 2 337.452 3.593 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000014307548 1137160520 /nfs/dbraw/zinc/16/05/20/1137160520.db2.gz UKURMZJNZPMKJV-QGZVFWFLSA-N 1 2 337.452 3.593 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136989693 1137165610 /nfs/dbraw/zinc/16/56/10/1137165610.db2.gz PDNFOYMGFGFBOU-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136989693 1137165612 /nfs/dbraw/zinc/16/56/12/1137165612.db2.gz PDNFOYMGFGFBOU-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136989635 1137165657 /nfs/dbraw/zinc/16/56/57/1137165657.db2.gz MRPFIASDZFMBEY-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cncc(Cl)c1 ZINC001136989635 1137165658 /nfs/dbraw/zinc/16/56/58/1137165658.db2.gz MRPFIASDZFMBEY-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000825179114 1137168067 /nfs/dbraw/zinc/16/80/67/1137168067.db2.gz SMUKWRNIYHWLQM-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO Cc1c[nH]c(CCNC(=O)[C@@H](c2ccccc2)C2CCCCC2)[nH+]1 ZINC001143630751 1137184512 /nfs/dbraw/zinc/18/45/12/1137184512.db2.gz NHHRBZZBVIRYBY-IBGZPJMESA-N 1 2 325.456 3.741 20 0 EHADLO Cc1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC001143672294 1137188189 /nfs/dbraw/zinc/18/81/89/1137188189.db2.gz BITNFQGFIDQSPH-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC001143672294 1137188191 /nfs/dbraw/zinc/18/81/91/1137188191.db2.gz BITNFQGFIDQSPH-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO C[N@H+](CCc1ccncc1)Cc1c(F)ccc(F)c1Br ZINC001143820061 1137201574 /nfs/dbraw/zinc/20/15/74/1137201574.db2.gz VGYZRZJEQLLKBJ-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1ccncc1)Cc1c(F)ccc(F)c1Br ZINC001143820061 1137201576 /nfs/dbraw/zinc/20/15/76/1137201576.db2.gz VGYZRZJEQLLKBJ-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3Br)C[C@H]12 ZINC001143824488 1137202134 /nfs/dbraw/zinc/20/21/34/1137202134.db2.gz FXWIODHSBVXWFH-UWVGGRQHSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3c(F)ccc(F)c3Br)C[C@H]12 ZINC001143824488 1137202135 /nfs/dbraw/zinc/20/21/35/1137202135.db2.gz FXWIODHSBVXWFH-UWVGGRQHSA-N 1 2 344.199 3.528 20 0 EHADLO COc1c(F)cc(CN2CCN(c3cccc(C)[nH+]3)CC2)cc1Cl ZINC001143836738 1137204374 /nfs/dbraw/zinc/20/43/74/1137204374.db2.gz AQUFNAGPZHHKQS-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)nc(C2CC2)[nH+]1 ZINC000772899601 1137205143 /nfs/dbraw/zinc/20/51/43/1137205143.db2.gz KOQYNKXGJPKKAK-GOSISDBHSA-N 1 2 349.434 3.996 20 0 EHADLO COc1c(F)cc(CN2CCN(c3cc(C)cc[nH+]3)CC2)cc1Cl ZINC001143848420 1137205423 /nfs/dbraw/zinc/20/54/23/1137205423.db2.gz XRSPXJFYJHBVQP-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143873237 1137207438 /nfs/dbraw/zinc/20/74/38/1137207438.db2.gz MIMKZQSRQDUNFI-UHFFFAOYSA-N 1 2 346.393 3.510 20 0 EHADLO OC1(c2ccc(-c3ccc(NCCCn4cc[nH+]c4)nc3)cc2)CCC1 ZINC000863976611 1137209565 /nfs/dbraw/zinc/20/95/65/1137209565.db2.gz JJJIZDFRSDNBSM-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(SC(F)F)cc1)n1cc[nH+]c1 ZINC000844334626 1137211416 /nfs/dbraw/zinc/21/14/16/1137211416.db2.gz YODRHRYRMXUISN-LLVKDONJSA-N 1 2 326.368 3.892 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)C1CCCCC1 ZINC001143940372 1137216676 /nfs/dbraw/zinc/21/66/76/1137216676.db2.gz XZWOPFFKYJVPLZ-SFHVURJKSA-N 1 2 327.428 3.715 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958523 1137218779 /nfs/dbraw/zinc/21/87/79/1137218779.db2.gz GMCPMFOFPHNGNI-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958523 1137218781 /nfs/dbraw/zinc/21/87/81/1137218781.db2.gz GMCPMFOFPHNGNI-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO Fc1ccc(Cl)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1F ZINC001143958790 1137218877 /nfs/dbraw/zinc/21/88/77/1137218877.db2.gz NTQOYCIPSQJWKY-UHFFFAOYSA-N 1 2 336.760 3.534 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794620496 1137221326 /nfs/dbraw/zinc/22/13/26/1137221326.db2.gz OTYGSQCMPZBEJM-OAHLLOKOSA-N 1 2 346.500 3.800 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794620496 1137221327 /nfs/dbraw/zinc/22/13/27/1137221327.db2.gz OTYGSQCMPZBEJM-OAHLLOKOSA-N 1 2 346.500 3.800 20 0 EHADLO CC(C)OC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(F)c1 ZINC000844478633 1137224916 /nfs/dbraw/zinc/22/49/16/1137224916.db2.gz RQIRDXVDBAJPPN-PBHICJAKSA-N 1 2 334.391 3.683 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844467400 1137226332 /nfs/dbraw/zinc/22/63/32/1137226332.db2.gz DXWWULQMBQNZOU-NSHDSACASA-N 1 2 326.696 3.985 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844467400 1137226331 /nfs/dbraw/zinc/22/63/31/1137226331.db2.gz DXWWULQMBQNZOU-NSHDSACASA-N 1 2 326.696 3.985 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+](C)Cc1cccnc1 ZINC001143997038 1137226816 /nfs/dbraw/zinc/22/68/16/1137226816.db2.gz YWVBJTWSIXCBDV-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)Cc1cccnc1 ZINC001143997038 1137226818 /nfs/dbraw/zinc/22/68/18/1137226818.db2.gz YWVBJTWSIXCBDV-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000794688476 1137228314 /nfs/dbraw/zinc/22/83/14/1137228314.db2.gz NJVPSNFYISNFCU-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000794688476 1137228315 /nfs/dbraw/zinc/22/83/15/1137228315.db2.gz NJVPSNFYISNFCU-UHFFFAOYSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@@H](CC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000844584385 1137235948 /nfs/dbraw/zinc/23/59/48/1137235948.db2.gz SFVRFYJKENFKDA-QMMMGPOBSA-N 1 2 332.713 3.540 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844631978 1137241418 /nfs/dbraw/zinc/24/14/18/1137241418.db2.gz UZETZWNKHKSHAJ-BPUTZDHNSA-N 1 2 348.245 3.718 20 0 EHADLO CCc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144134376 1137242696 /nfs/dbraw/zinc/24/26/96/1137242696.db2.gz MCBXZIRBNHSUDL-JTQLQIEISA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)n1 ZINC001144134376 1137242697 /nfs/dbraw/zinc/24/26/97/1137242697.db2.gz MCBXZIRBNHSUDL-JTQLQIEISA-N 1 2 341.789 3.943 20 0 EHADLO COC(=O)c1ncccc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212613420 1137244331 /nfs/dbraw/zinc/24/43/31/1137244331.db2.gz SJORIGGUFZEXJO-UHFFFAOYSA-N 1 2 340.427 3.776 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844690840 1137244780 /nfs/dbraw/zinc/24/47/80/1137244780.db2.gz QNTSDWRZODFNKQ-UHFFFAOYSA-N 1 2 346.780 3.797 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844690840 1137244781 /nfs/dbraw/zinc/24/47/81/1137244781.db2.gz QNTSDWRZODFNKQ-UHFFFAOYSA-N 1 2 346.780 3.797 20 0 EHADLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1Br ZINC001144227005 1137256540 /nfs/dbraw/zinc/25/65/40/1137256540.db2.gz WJDBVVXUTMFTEY-SNVBAGLBSA-N 1 2 334.204 3.935 20 0 EHADLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1Br ZINC001144227005 1137256541 /nfs/dbraw/zinc/25/65/41/1137256541.db2.gz WJDBVVXUTMFTEY-SNVBAGLBSA-N 1 2 334.204 3.935 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn4c(n3)C[C@H](C)CC4)c2)[nH+]c1C ZINC000864989194 1137256922 /nfs/dbraw/zinc/25/69/22/1137256922.db2.gz QVONZUJNJLQCNM-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Oc1cc(Cl)ccc1Cl ZINC000845110839 1137274600 /nfs/dbraw/zinc/27/46/00/1137274600.db2.gz IPFDGZYUCULRFF-UHFFFAOYSA-N 1 2 325.195 3.674 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3ccc(C(F)F)nc3)cc2)CC1 ZINC000865421633 1137282300 /nfs/dbraw/zinc/28/23/00/1137282300.db2.gz WJPZCAJJOQSDIZ-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO Cc1cc(COC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1Br ZINC000845283789 1137283522 /nfs/dbraw/zinc/28/35/22/1137283522.db2.gz GUZKDPXMQYRFEI-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO Cc1cc(Br)ccc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845287049 1137283813 /nfs/dbraw/zinc/28/38/13/1137283813.db2.gz ZMXHTWQMRDGGCM-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cn1 ZINC000865457339 1137285564 /nfs/dbraw/zinc/28/55/64/1137285564.db2.gz UNUKZQKFZLYLQQ-UHFFFAOYSA-N 1 2 326.227 3.862 20 0 EHADLO Cc1ccc(C(C)(C)[NH2+]Cc2nccc(C)c2Br)cn1 ZINC000865528011 1137291852 /nfs/dbraw/zinc/29/18/52/1137291852.db2.gz MJNRHXLJNQVHPR-UHFFFAOYSA-N 1 2 334.261 3.881 20 0 EHADLO Cc1ccccc1CCC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144434506 1137292670 /nfs/dbraw/zinc/29/26/70/1137292670.db2.gz JVVUXROTSUWSEO-UHFFFAOYSA-N 1 2 333.435 3.772 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc3c(F)cccc3c2)[nH]1 ZINC000865542876 1137293410 /nfs/dbraw/zinc/29/34/10/1137293410.db2.gz YJYBDBMEPHDSJE-RYUDHWBXSA-N 1 2 327.407 3.856 20 0 EHADLO C[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1c(F)cccc1Cl ZINC000845485746 1137294420 /nfs/dbraw/zinc/29/44/20/1137294420.db2.gz UCKWPZBYKXWBDV-NSHDSACASA-N 1 2 336.794 3.859 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H](C1CCCCC1)C(F)(F)F ZINC000845501556 1137295261 /nfs/dbraw/zinc/29/52/61/1137295261.db2.gz DPQLSZRSRFEQDM-MRXNPFEDSA-N 1 2 344.377 3.816 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccc(C)c2Br)s1 ZINC000865703149 1137305223 /nfs/dbraw/zinc/30/52/23/1137305223.db2.gz VIIMTRLFJHMCLI-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1nc(NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc[nH+]1 ZINC000845718459 1137306316 /nfs/dbraw/zinc/30/63/16/1137306316.db2.gz KQKNOBCDOQZBJC-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001144544016 1137307736 /nfs/dbraw/zinc/30/77/36/1137307736.db2.gz KEKHDRUEJDCEFR-UHFFFAOYSA-N 1 2 329.419 3.761 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Br)ccc2F)n1 ZINC000865810209 1137313407 /nfs/dbraw/zinc/31/34/07/1137313407.db2.gz LSCPYWWYGWHTLT-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO O=C(c1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1)N1CCCC1 ZINC000865821269 1137314219 /nfs/dbraw/zinc/31/42/19/1137314219.db2.gz DTQUZFLPDRNCLD-IBGZPJMESA-N 1 2 344.405 3.862 20 0 EHADLO CCc1cccc(F)c1C[NH2+]Cc1ncc(Br)s1 ZINC000865849468 1137316550 /nfs/dbraw/zinc/31/65/50/1137316550.db2.gz PCRLXUHJILMLJM-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO C[N@H+](Cc1ncn2ccccc12)Cc1cccc(Br)c1 ZINC001144616052 1137318573 /nfs/dbraw/zinc/31/85/73/1137318573.db2.gz LOSBIAZIGCQINI-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[N@@H+](Cc1ncn2ccccc12)Cc1cccc(Br)c1 ZINC001144616052 1137318574 /nfs/dbraw/zinc/31/85/74/1137318574.db2.gz LOSBIAZIGCQINI-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000845902045 1137319026 /nfs/dbraw/zinc/31/90/26/1137319026.db2.gz KDKUXYVODVUQMC-GOSISDBHSA-N 1 2 336.391 3.536 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2cnccc2o1 ZINC000845902045 1137319028 /nfs/dbraw/zinc/31/90/28/1137319028.db2.gz KDKUXYVODVUQMC-GOSISDBHSA-N 1 2 336.391 3.536 20 0 EHADLO CCc1csc([C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000865898047 1137319343 /nfs/dbraw/zinc/31/93/43/1137319343.db2.gz KWAVLABESYKDBU-JTQLQIEISA-N 1 2 330.461 3.773 20 0 EHADLO CCn1c(C[NH2+]Cc2cc(F)c(OC)cc2OC)nc2ccccc21 ZINC000845954351 1137320058 /nfs/dbraw/zinc/32/00/58/1137320058.db2.gz OYYQHPFRBFJJRX-UHFFFAOYSA-N 1 2 343.402 3.502 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)n1 ZINC001144658454 1137327036 /nfs/dbraw/zinc/32/70/36/1137327036.db2.gz WYPHIGKTFRHRJQ-LLVKDONJSA-N 1 2 337.370 3.556 20 0 EHADLO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)n1 ZINC001144658454 1137327038 /nfs/dbraw/zinc/32/70/38/1137327038.db2.gz WYPHIGKTFRHRJQ-LLVKDONJSA-N 1 2 337.370 3.556 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC001144690134 1137331423 /nfs/dbraw/zinc/33/14/23/1137331423.db2.gz WWNDYTZWAXIPJL-LBPRGKRZSA-N 1 2 330.653 3.904 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC001144690134 1137331425 /nfs/dbraw/zinc/33/14/25/1137331425.db2.gz WWNDYTZWAXIPJL-LBPRGKRZSA-N 1 2 330.653 3.904 20 0 EHADLO COCc1cc[nH+]c(NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC000846117075 1137334099 /nfs/dbraw/zinc/33/40/99/1137334099.db2.gz KHRCRGLFRPTYHQ-HNNXBMFYSA-N 1 2 337.464 3.579 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(-n2ccnc2)cc1 ZINC000866215380 1137335711 /nfs/dbraw/zinc/33/57/11/1137335711.db2.gz JUHGMWDXJIAHOW-BOUXLOLZSA-N 1 2 337.398 3.995 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001144754347 1137342746 /nfs/dbraw/zinc/34/27/46/1137342746.db2.gz GDZHLNDTJHTPLY-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001144754347 1137342747 /nfs/dbraw/zinc/34/27/47/1137342747.db2.gz GDZHLNDTJHTPLY-UHFFFAOYSA-N 1 2 348.393 3.550 20 0 EHADLO CCn1cc(C[NH2+][C@H](Cc2cccc(F)c2)c2ccccc2F)nn1 ZINC000866390562 1137351185 /nfs/dbraw/zinc/35/11/85/1137351185.db2.gz XWOXZPMPFBELEE-LJQANCHMSA-N 1 2 342.393 3.650 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)n1 ZINC000866568176 1137365575 /nfs/dbraw/zinc/36/55/75/1137365575.db2.gz WJJZCVDMGFDHLP-ZDUSSCGKSA-N 1 2 325.334 3.500 20 0 EHADLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846999230 1137381135 /nfs/dbraw/zinc/38/11/35/1137381135.db2.gz GUBQLHATAMQZOI-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846999230 1137381137 /nfs/dbraw/zinc/38/11/37/1137381137.db2.gz GUBQLHATAMQZOI-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000173562552 1137384529 /nfs/dbraw/zinc/38/45/29/1137384529.db2.gz KKMXFCHEHSISQA-LJQANCHMSA-N 1 2 334.423 3.578 20 0 EHADLO CN(c1ccc(Nc2cc(N)c(O)cc2O)c[nH+]1)C1CCCCC1 ZINC001212615295 1137386343 /nfs/dbraw/zinc/38/63/43/1137386343.db2.gz SJHHCVLSSXJECP-UHFFFAOYSA-N 1 2 328.416 3.588 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941531 1137397413 /nfs/dbraw/zinc/39/74/13/1137397413.db2.gz WJJCPBNYVNUBKD-XJKSGUPXSA-N 1 2 343.496 3.698 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941531 1137397415 /nfs/dbraw/zinc/39/74/15/1137397415.db2.gz WJJCPBNYVNUBKD-XJKSGUPXSA-N 1 2 343.496 3.698 20 0 EHADLO CCc1ccccc1CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147493038 1137407635 /nfs/dbraw/zinc/40/76/35/1137407635.db2.gz BZHOZPMCBKQTMV-IZAXUBKRSA-N 1 2 337.467 3.931 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c[nH+]1 ZINC000868685977 1137419618 /nfs/dbraw/zinc/41/96/18/1137419618.db2.gz HKKSURDFXOVEMR-DZGCQCFKSA-N 1 2 341.377 3.642 20 0 EHADLO C/C(=C/c1ccc(Br)o1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868791267 1137423901 /nfs/dbraw/zinc/42/39/01/1137423901.db2.gz KOKCJGFKWFKTAP-XFFZJAGNSA-N 1 2 349.228 3.774 20 0 EHADLO CCSC1(CNC(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC001148594993 1137429323 /nfs/dbraw/zinc/42/93/23/1137429323.db2.gz WGNZHKSOSPYMNC-UHFFFAOYSA-N 1 2 340.920 3.564 20 0 EHADLO CCSC1(CNC(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC001148594993 1137429324 /nfs/dbraw/zinc/42/93/24/1137429324.db2.gz WGNZHKSOSPYMNC-UHFFFAOYSA-N 1 2 340.920 3.564 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CCC2(CC2)CC1 ZINC000868964557 1137430589 /nfs/dbraw/zinc/43/05/89/1137430589.db2.gz GZPWDZMXFMKYOX-UHFFFAOYSA-N 1 2 346.519 3.838 20 0 EHADLO CCC(CC)(CNC(=O)NCc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC000868995755 1137431964 /nfs/dbraw/zinc/43/19/64/1137431964.db2.gz PSQRYXRVKGXWRB-UHFFFAOYSA-N 1 2 342.365 3.502 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1C(F)(F)F ZINC001148744022 1137432959 /nfs/dbraw/zinc/43/29/59/1137432959.db2.gz MJZQNJJPIJHALC-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1C(F)(F)F ZINC001148744022 1137432960 /nfs/dbraw/zinc/43/29/60/1137432960.db2.gz MJZQNJJPIJHALC-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104973 1137436996 /nfs/dbraw/zinc/43/69/96/1137436996.db2.gz CUUGVIKJLAWYNE-IBGZPJMESA-N 1 2 349.434 3.761 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104973 1137436997 /nfs/dbraw/zinc/43/69/97/1137436997.db2.gz CUUGVIKJLAWYNE-IBGZPJMESA-N 1 2 349.434 3.761 20 0 EHADLO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc(C=O)s3)CC2)CC1 ZINC001148953413 1137438677 /nfs/dbraw/zinc/43/86/77/1137438677.db2.gz YAMHTJIEFZFDIO-UHFFFAOYSA-N 1 2 348.512 3.533 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000348094173 1137441196 /nfs/dbraw/zinc/44/11/96/1137441196.db2.gz DANWVZSXWNTCKF-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(Cc3ccccc3F)CC2)cs1 ZINC000348148812 1137445942 /nfs/dbraw/zinc/44/59/42/1137445942.db2.gz WYMNIBRERLJJJF-UHFFFAOYSA-N 1 2 347.459 3.695 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348207574 1137454966 /nfs/dbraw/zinc/45/49/66/1137454966.db2.gz DIBFDOAGRCRFNN-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349227 1137456013 /nfs/dbraw/zinc/45/60/13/1137456013.db2.gz GUCCPVKAIHLSOL-MAUKXSAKSA-N 1 2 337.410 3.534 20 0 EHADLO COc1ccncc1C[NH2+]Cc1oc2ccccc2c1Br ZINC001202529112 1137467743 /nfs/dbraw/zinc/46/77/43/1137467743.db2.gz VDRNISIFTMMMMM-UHFFFAOYSA-N 1 2 347.212 3.889 20 0 EHADLO CCCCc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC001649159649 1137478694 /nfs/dbraw/zinc/47/86/94/1137478694.db2.gz MSFWBOSFGKRMRS-UHFFFAOYSA-N 1 2 344.890 3.795 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(C2CCOCC2)cc1 ZINC000870246654 1137483272 /nfs/dbraw/zinc/48/32/72/1137483272.db2.gz JAWNGLTVHOVJBZ-UHFFFAOYSA-N 1 2 336.391 3.585 20 0 EHADLO Cc1cccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000018144800 1137486171 /nfs/dbraw/zinc/48/61/71/1137486171.db2.gz FLEAAZPIHNHPCR-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000773295780 1137487067 /nfs/dbraw/zinc/48/70/67/1137487067.db2.gz WVBGCSVESOMUAR-HNNXBMFYSA-N 1 2 330.334 3.667 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000773295780 1137487068 /nfs/dbraw/zinc/48/70/68/1137487068.db2.gz WVBGCSVESOMUAR-HNNXBMFYSA-N 1 2 330.334 3.667 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(F)cc21 ZINC000773298416 1137487403 /nfs/dbraw/zinc/48/74/03/1137487403.db2.gz AVHQHVYWBJXXCP-UHFFFAOYSA-N 1 2 332.350 3.741 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1F)Cn1c(=O)oc2ccc(F)cc21 ZINC000773298416 1137487404 /nfs/dbraw/zinc/48/74/04/1137487404.db2.gz AVHQHVYWBJXXCP-UHFFFAOYSA-N 1 2 332.350 3.741 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323984 1137489711 /nfs/dbraw/zinc/48/97/11/1137489711.db2.gz DTXFCZIDCCWXRA-UVTDQMKNSA-N 1 2 326.371 3.726 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1c(=O)oc2ccc(F)cc21 ZINC000773323984 1137489712 /nfs/dbraw/zinc/48/97/12/1137489712.db2.gz DTXFCZIDCCWXRA-UVTDQMKNSA-N 1 2 326.371 3.726 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465437 1137489952 /nfs/dbraw/zinc/48/99/52/1137489952.db2.gz JRRKTAJGWAFYLM-OAHLLOKOSA-N 1 2 325.399 3.535 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471809 1137492773 /nfs/dbraw/zinc/49/27/73/1137492773.db2.gz VSGSOCYNIYYUAI-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471809 1137492775 /nfs/dbraw/zinc/49/27/75/1137492775.db2.gz VSGSOCYNIYYUAI-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601826 1137500017 /nfs/dbraw/zinc/50/00/17/1137500017.db2.gz MFOHHJBOHOEMNF-KBXIAJHMSA-N 1 2 346.462 3.792 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@H]1C(C)(C)C ZINC001171601826 1137500019 /nfs/dbraw/zinc/50/00/19/1137500019.db2.gz MFOHHJBOHOEMNF-KBXIAJHMSA-N 1 2 346.462 3.792 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccncc1Cl ZINC001171599536 1137500128 /nfs/dbraw/zinc/50/01/28/1137500128.db2.gz SODWXUMEYGOIRV-UHFFFAOYSA-N 1 2 326.730 3.689 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccncc1Cl ZINC001171599536 1137500129 /nfs/dbraw/zinc/50/01/29/1137500129.db2.gz SODWXUMEYGOIRV-UHFFFAOYSA-N 1 2 326.730 3.689 20 0 EHADLO CSc1c(F)cc(COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1F ZINC000870744504 1137508776 /nfs/dbraw/zinc/50/87/76/1137508776.db2.gz QTZPSLSSYAZZKU-SNVBAGLBSA-N 1 2 326.368 3.578 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000123425774 1137517168 /nfs/dbraw/zinc/51/71/68/1137517168.db2.gz ZGVINWOYGRAGFA-KPKJPENVSA-N 1 2 348.661 3.705 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001171960836 1137519422 /nfs/dbraw/zinc/51/94/22/1137519422.db2.gz JUSVCAAXHWJXRY-DOMZBBRYSA-N 1 2 331.378 3.958 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001171967440 1137519439 /nfs/dbraw/zinc/51/94/39/1137519439.db2.gz ABCCZWQJLHAEGV-FZMZJTMJSA-N 1 2 337.332 3.728 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001171967440 1137519441 /nfs/dbraw/zinc/51/94/41/1137519441.db2.gz ABCCZWQJLHAEGV-FZMZJTMJSA-N 1 2 337.332 3.728 20 0 EHADLO CC1(C)C=Cc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2O1 ZINC000871115105 1137523049 /nfs/dbraw/zinc/52/30/49/1137523049.db2.gz YVVOIWCHDNGNFX-UHFFFAOYSA-N 1 2 337.423 3.585 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ncsc3C1)C2 ZINC001172104805 1137536632 /nfs/dbraw/zinc/53/66/32/1137536632.db2.gz DNSGUXCCTNIHIZ-BTTYYORXSA-N 1 2 349.500 3.779 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ncsc3C1)C2 ZINC001172104805 1137536633 /nfs/dbraw/zinc/53/66/33/1137536633.db2.gz DNSGUXCCTNIHIZ-BTTYYORXSA-N 1 2 349.500 3.779 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CO1 ZINC001172293646 1137548564 /nfs/dbraw/zinc/54/85/64/1137548564.db2.gz JPQPNTPDRFSKEL-MRXNPFEDSA-N 1 2 331.847 3.587 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CO1 ZINC001172293646 1137548565 /nfs/dbraw/zinc/54/85/65/1137548565.db2.gz JPQPNTPDRFSKEL-MRXNPFEDSA-N 1 2 331.847 3.587 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172340153 1137552292 /nfs/dbraw/zinc/55/22/92/1137552292.db2.gz RNCNYPGECQJTRW-IXDOHACOSA-N 1 2 349.519 3.780 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172340153 1137552294 /nfs/dbraw/zinc/55/22/94/1137552294.db2.gz RNCNYPGECQJTRW-IXDOHACOSA-N 1 2 349.519 3.780 20 0 EHADLO CC(C)[C@H](C)[NH2+]c1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000871852245 1137560743 /nfs/dbraw/zinc/56/07/43/1137560743.db2.gz WTEBAFZSYLAWHP-STQMWFEESA-N 1 2 341.293 3.724 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCOC4(CCCC4)C3)c[nH+]2)C[C@H](C)O1 ZINC000872059142 1137568705 /nfs/dbraw/zinc/56/87/05/1137568705.db2.gz FFRUQSGEBXJWHI-IXDOHACOSA-N 1 2 345.487 3.599 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(O)c1F ZINC000872077792 1137570123 /nfs/dbraw/zinc/57/01/23/1137570123.db2.gz BORSNXQYROUNBX-WKFLNTIRSA-N 1 2 337.416 3.517 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000872133848 1137573409 /nfs/dbraw/zinc/57/34/09/1137573409.db2.gz PFYLHKRGFVQLDK-RYUDHWBXSA-N 1 2 329.835 3.737 20 0 EHADLO Cc1nonc1C[NH2+][C@H](c1cc(F)cc(Br)c1)C(C)C ZINC000872136647 1137573744 /nfs/dbraw/zinc/57/37/44/1137573744.db2.gz MNEATQPMBQAZKC-AWEZNQCLSA-N 1 2 342.212 3.767 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)C ZINC000872136650 1137573771 /nfs/dbraw/zinc/57/37/71/1137573771.db2.gz MNEATQPMBQAZKC-CQSZACIVSA-N 1 2 342.212 3.767 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000124040777 1137578677 /nfs/dbraw/zinc/57/86/77/1137578677.db2.gz FOCCRGDTUUWZMD-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO O=C1C[C@H](C2CCCCC2)CN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000872566000 1137581546 /nfs/dbraw/zinc/58/15/46/1137581546.db2.gz TWMKDRICWFUVIR-PKOBYXMFSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1C[C@H](C2CCCCC2)CN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000872566000 1137581547 /nfs/dbraw/zinc/58/15/47/1137581547.db2.gz TWMKDRICWFUVIR-PKOBYXMFSA-N 1 2 327.472 3.605 20 0 EHADLO C[C@H]1C[N@H+](Cn2ccc(-c3ccsc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000872816742 1137584871 /nfs/dbraw/zinc/58/48/71/1137584871.db2.gz NKHWMRGCQQVKCJ-FZMZJTMJSA-N 1 2 345.390 3.611 20 0 EHADLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccsc3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000872816742 1137584872 /nfs/dbraw/zinc/58/48/72/1137584872.db2.gz NKHWMRGCQQVKCJ-FZMZJTMJSA-N 1 2 345.390 3.611 20 0 EHADLO Cc1c(Br)cncc1C[NH2+]Cc1ncc(Cl)s1 ZINC000873165656 1137591934 /nfs/dbraw/zinc/59/19/34/1137591934.db2.gz WFJFEAIEWKKDKR-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H](OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000873569789 1137602784 /nfs/dbraw/zinc/60/27/84/1137602784.db2.gz ABUYTLOCWYYQFB-MSOLQXFVSA-N 1 2 342.439 3.682 20 0 EHADLO CC[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1OC ZINC000873989360 1137608861 /nfs/dbraw/zinc/60/88/61/1137608861.db2.gz BVNBNGJZWQTDLE-DLBZAZTESA-N 1 2 329.444 3.746 20 0 EHADLO CC[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1OC ZINC000873989363 1137608873 /nfs/dbraw/zinc/60/88/73/1137608873.db2.gz BVNBNGJZWQTDLE-IRXDYDNUSA-N 1 2 329.444 3.746 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC1CCCCCCC1 ZINC000874110225 1137610630 /nfs/dbraw/zinc/61/06/30/1137610630.db2.gz YJCZIAKKNHKETO-CQSZACIVSA-N 1 2 331.382 3.853 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000874255050 1137612114 /nfs/dbraw/zinc/61/21/14/1137612114.db2.gz OVFIYRZZUQCLIV-QGZVFWFLSA-N 1 2 325.456 3.693 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000874323502 1137613045 /nfs/dbraw/zinc/61/30/45/1137613045.db2.gz ACXPDDPOAFTSQF-JLTOFOAXSA-N 1 2 341.430 3.623 20 0 EHADLO COc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnn(C(C)C)c2)cc1 ZINC001137079662 1137613799 /nfs/dbraw/zinc/61/37/99/1137613799.db2.gz YWFJWHNZXQDPIW-SFHVURJKSA-N 1 2 331.485 3.763 20 0 EHADLO COc1ccc([C@@H]2CSCC[N@H+]2Cc2cnn(C(C)C)c2)cc1 ZINC001137079662 1137613800 /nfs/dbraw/zinc/61/38/00/1137613800.db2.gz YWFJWHNZXQDPIW-SFHVURJKSA-N 1 2 331.485 3.763 20 0 EHADLO CCOC(=O)Nc1ccc(OC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000874441851 1137614144 /nfs/dbraw/zinc/61/41/44/1137614144.db2.gz CVQGURQBSPJNRY-MRXNPFEDSA-N 1 2 345.399 3.644 20 0 EHADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)Cc2ccccc21 ZINC000874486990 1137615591 /nfs/dbraw/zinc/61/55/91/1137615591.db2.gz ODUZCJIZUVKYOB-QGZVFWFLSA-N 1 2 345.446 3.620 20 0 EHADLO CN(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000876213315 1137646239 /nfs/dbraw/zinc/64/62/39/1137646239.db2.gz QSQXLLXEKJGKIG-VQTJNVASSA-N 1 2 335.451 3.502 20 0 EHADLO CN(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000876213315 1137646240 /nfs/dbraw/zinc/64/62/40/1137646240.db2.gz QSQXLLXEKJGKIG-VQTJNVASSA-N 1 2 335.451 3.502 20 0 EHADLO CCCC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)[C@H](C)c1ccc(C)o1 ZINC000876606737 1137656891 /nfs/dbraw/zinc/65/68/91/1137656891.db2.gz FFZTXLJRSFIMEE-AEFFLSMTSA-N 1 2 346.475 3.722 20 0 EHADLO CCCC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)[C@H](C)c1ccc(C)o1 ZINC000876606737 1137656892 /nfs/dbraw/zinc/65/68/92/1137656892.db2.gz FFZTXLJRSFIMEE-AEFFLSMTSA-N 1 2 346.475 3.722 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1OC(F)F ZINC000876916902 1137665393 /nfs/dbraw/zinc/66/53/93/1137665393.db2.gz IYUJSXPJRBSVDI-UHFFFAOYSA-N 1 2 334.775 3.696 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C(=O)C(C)(C)C1(C)C)CCC2 ZINC000126317845 1137668578 /nfs/dbraw/zinc/66/85/78/1137668578.db2.gz YMTADZNKWZUWAZ-ZDUSSCGKSA-N 1 2 335.517 3.619 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C(=O)C(C)(C)C1(C)C)CCC2 ZINC000126317845 1137668579 /nfs/dbraw/zinc/66/85/79/1137668579.db2.gz YMTADZNKWZUWAZ-ZDUSSCGKSA-N 1 2 335.517 3.619 20 0 EHADLO CCO[P@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000877116248 1137670534 /nfs/dbraw/zinc/67/05/34/1137670534.db2.gz TUMYWWBDUSVZEC-PEBXRYMYSA-N 1 2 325.393 3.817 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccnc2Br)C1 ZINC000877342098 1137674565 /nfs/dbraw/zinc/67/45/65/1137674565.db2.gz ITOIYQSVLOTGHY-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccnc2Br)C1 ZINC000877342098 1137674566 /nfs/dbraw/zinc/67/45/66/1137674566.db2.gz ITOIYQSVLOTGHY-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO O=C(C1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1)C(F)(F)F ZINC000877419805 1137675936 /nfs/dbraw/zinc/67/59/36/1137675936.db2.gz IUYNZYLGTFXZET-UHFFFAOYSA-N 1 2 340.320 3.717 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)s1 ZINC001137120930 1137676898 /nfs/dbraw/zinc/67/68/98/1137676898.db2.gz MMZIJFWKSGPCSP-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1Br ZINC000877524521 1137679478 /nfs/dbraw/zinc/67/94/78/1137679478.db2.gz ZHEFKEUDLCHQMT-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccncc2)c1Br ZINC000877524521 1137679479 /nfs/dbraw/zinc/67/94/79/1137679479.db2.gz ZHEFKEUDLCHQMT-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NC[C@H]1CC1(Cl)Cl ZINC000877573699 1137681826 /nfs/dbraw/zinc/68/18/26/1137681826.db2.gz UNSNDYUIQPSEGA-LLVKDONJSA-N 1 2 346.258 3.712 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000877588932 1137682310 /nfs/dbraw/zinc/68/23/10/1137682310.db2.gz CGZCMHLUSMKGGN-GOSISDBHSA-N 1 2 342.414 3.583 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000877588932 1137682311 /nfs/dbraw/zinc/68/23/11/1137682311.db2.gz CGZCMHLUSMKGGN-GOSISDBHSA-N 1 2 342.414 3.583 20 0 EHADLO COc1ncccc1C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877667953 1137684990 /nfs/dbraw/zinc/68/49/90/1137684990.db2.gz DCCVNDILVYNSLT-UHFFFAOYSA-N 1 2 331.803 3.910 20 0 EHADLO CCc1nn(C)cc1C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877668947 1137685021 /nfs/dbraw/zinc/68/50/21/1137685021.db2.gz ROTPNWQEEWZJEO-UHFFFAOYSA-N 1 2 332.835 3.802 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2F)on1 ZINC000877734592 1137687288 /nfs/dbraw/zinc/68/72/88/1137687288.db2.gz BQZGKICYSUMPDD-UHFFFAOYSA-N 1 2 347.173 3.587 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000877806755 1137690628 /nfs/dbraw/zinc/69/06/28/1137690628.db2.gz KFFIJKONFYQRLU-UHFFFAOYSA-N 1 2 341.764 3.927 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000877893862 1137694489 /nfs/dbraw/zinc/69/44/89/1137694489.db2.gz BDLVOQULNMFWJB-GOSISDBHSA-N 1 2 331.412 3.603 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCC2(CCOCC2)O1 ZINC000877905196 1137694968 /nfs/dbraw/zinc/69/49/68/1137694968.db2.gz BZLIDKGYDILGNN-CYBMUJFWSA-N 1 2 327.827 3.639 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CCC2(CCOCC2)O1 ZINC000877905196 1137694969 /nfs/dbraw/zinc/69/49/69/1137694969.db2.gz BZLIDKGYDILGNN-CYBMUJFWSA-N 1 2 327.827 3.639 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CC(C)(C)c3ccc(F)cc3)sc2C1 ZINC000877965826 1137697405 /nfs/dbraw/zinc/69/74/05/1137697405.db2.gz PKJOEDRBBJYFQE-UHFFFAOYSA-N 1 2 347.459 3.577 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CC(C)(C)c3ccc(F)cc3)sc2C1 ZINC000877965826 1137697406 /nfs/dbraw/zinc/69/74/06/1137697406.db2.gz PKJOEDRBBJYFQE-UHFFFAOYSA-N 1 2 347.459 3.577 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H]2CCCC(C)(C)O2)o1 ZINC000877981671 1137698244 /nfs/dbraw/zinc/69/82/44/1137698244.db2.gz VFCARIOPFBKVAS-MSOLQXFVSA-N 1 2 341.455 3.825 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H]2CCCC(C)(C)O2)o1 ZINC000877981671 1137698245 /nfs/dbraw/zinc/69/82/45/1137698245.db2.gz VFCARIOPFBKVAS-MSOLQXFVSA-N 1 2 341.455 3.825 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000878041942 1137700394 /nfs/dbraw/zinc/70/03/94/1137700394.db2.gz QWYXOMQZGXZGKF-PVXIVEMSSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000878041942 1137700395 /nfs/dbraw/zinc/70/03/95/1137700395.db2.gz QWYXOMQZGXZGKF-PVXIVEMSSA-N 1 2 330.255 3.792 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000878166574 1137705413 /nfs/dbraw/zinc/70/54/13/1137705413.db2.gz YZFICJUAMHQIAZ-KRWDZBQOSA-N 1 2 341.492 3.956 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000878166574 1137705414 /nfs/dbraw/zinc/70/54/14/1137705414.db2.gz YZFICJUAMHQIAZ-KRWDZBQOSA-N 1 2 341.492 3.956 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000878190730 1137706418 /nfs/dbraw/zinc/70/64/18/1137706418.db2.gz KBCAMCLWQZIPBA-QGZVFWFLSA-N 1 2 328.460 3.569 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000878190730 1137706419 /nfs/dbraw/zinc/70/64/19/1137706419.db2.gz KBCAMCLWQZIPBA-QGZVFWFLSA-N 1 2 328.460 3.569 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2)c1cccs1 ZINC000878267388 1137709133 /nfs/dbraw/zinc/70/91/33/1137709133.db2.gz WEVDXBHOBOGOCW-CYBMUJFWSA-N 1 2 330.453 3.852 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2)c1cccs1 ZINC000878267388 1137709134 /nfs/dbraw/zinc/70/91/34/1137709134.db2.gz WEVDXBHOBOGOCW-CYBMUJFWSA-N 1 2 330.453 3.852 20 0 EHADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878372570 1137713298 /nfs/dbraw/zinc/71/32/98/1137713298.db2.gz MJXNCUIGAUKKIM-GOSISDBHSA-N 1 2 342.439 3.584 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccco1 ZINC000878411883 1137715030 /nfs/dbraw/zinc/71/50/30/1137715030.db2.gz OICKCVAMIPFUHE-JTQLQIEISA-N 1 2 345.262 3.674 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2scnc2Cl)CC1 ZINC000878437490 1137715952 /nfs/dbraw/zinc/71/59/52/1137715952.db2.gz XIPBUZUISSPWAQ-LLVKDONJSA-N 1 2 327.906 3.737 20 0 EHADLO CC(C)OC[C@H]1C[N@H+](Cc2ccc3ccc(Cl)cc3n2)CCO1 ZINC000878446222 1137716433 /nfs/dbraw/zinc/71/64/33/1137716433.db2.gz DVCCGLMXQSIALI-QGZVFWFLSA-N 1 2 334.847 3.514 20 0 EHADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc3ccc(Cl)cc3n2)CCO1 ZINC000878446222 1137716434 /nfs/dbraw/zinc/71/64/34/1137716434.db2.gz DVCCGLMXQSIALI-QGZVFWFLSA-N 1 2 334.847 3.514 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC[C@H](OC4CCC4)CC3)ccc2[nH+]1 ZINC000878566046 1137720527 /nfs/dbraw/zinc/72/05/27/1137720527.db2.gz ZKOYIYBONYXQNE-KRWDZBQOSA-N 1 2 342.443 3.598 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000878619340 1137722540 /nfs/dbraw/zinc/72/25/40/1137722540.db2.gz WXSQCGTZLAKWJF-GDBMZVCRSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000878619340 1137722541 /nfs/dbraw/zinc/72/25/41/1137722541.db2.gz WXSQCGTZLAKWJF-GDBMZVCRSA-N 1 2 346.519 3.906 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3c(o2)CCCC3)c(C)c1OC ZINC000878619816 1137722652 /nfs/dbraw/zinc/72/26/52/1137722652.db2.gz IEOJKPSMQBOZPL-CYBMUJFWSA-N 1 2 330.428 3.730 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)no1 ZINC000878631487 1137723081 /nfs/dbraw/zinc/72/30/81/1137723081.db2.gz BKXKJONDWWGCGR-UAGQMJEPSA-N 1 2 345.443 3.566 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1c1ccccc1 ZINC000878665947 1137724144 /nfs/dbraw/zinc/72/41/44/1137724144.db2.gz NMSQYOCOXITJOO-HOTGVXAUSA-N 1 2 343.320 3.598 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1c1ccccc1 ZINC000878665947 1137724145 /nfs/dbraw/zinc/72/41/45/1137724145.db2.gz NMSQYOCOXITJOO-HOTGVXAUSA-N 1 2 343.320 3.598 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672528 1137724685 /nfs/dbraw/zinc/72/46/85/1137724685.db2.gz IGZVOTUMEZPESQ-WDEREUQCSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672528 1137724686 /nfs/dbraw/zinc/72/46/86/1137724686.db2.gz IGZVOTUMEZPESQ-WDEREUQCSA-N 1 2 344.406 3.706 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976400 1137734070 /nfs/dbraw/zinc/73/40/70/1137734070.db2.gz SHSMHEHGOUBILM-CABCVRRESA-N 1 2 338.238 3.654 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976400 1137734071 /nfs/dbraw/zinc/73/40/71/1137734071.db2.gz SHSMHEHGOUBILM-CABCVRRESA-N 1 2 338.238 3.654 20 0 EHADLO COC[C@H]1CCC[N@@H+]1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000879050253 1137736353 /nfs/dbraw/zinc/73/63/53/1137736353.db2.gz CXNVKKYDTQMSKZ-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO COC[C@H]1CCC[N@H+]1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000879050253 1137736354 /nfs/dbraw/zinc/73/63/54/1137736354.db2.gz CXNVKKYDTQMSKZ-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nnc(C(C)C)s3)C2)cc1F ZINC000626127553 1137756369 /nfs/dbraw/zinc/75/63/69/1137756369.db2.gz QGPLDFHMIZLXEX-ZDUSSCGKSA-N 1 2 335.448 3.799 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(C(C)C)s3)C2)cc1F ZINC000626127553 1137756370 /nfs/dbraw/zinc/75/63/70/1137756370.db2.gz QGPLDFHMIZLXEX-ZDUSSCGKSA-N 1 2 335.448 3.799 20 0 EHADLO Fc1ccc(-c2nc(C[NH2+]C3([C@@H]4CCCCO4)CCC3)no2)c(F)c1 ZINC000879735285 1137757163 /nfs/dbraw/zinc/75/71/63/1137757163.db2.gz VYSWQJJYSUTOOC-HNNXBMFYSA-N 1 2 349.381 3.596 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000879750196 1137757991 /nfs/dbraw/zinc/75/79/91/1137757991.db2.gz RKARJPDZGFVROU-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000879750196 1137757992 /nfs/dbraw/zinc/75/79/92/1137757992.db2.gz RKARJPDZGFVROU-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CC(C)(C)CC(F)F ZINC000879761881 1137758261 /nfs/dbraw/zinc/75/82/61/1137758261.db2.gz URWQJRWXYBIFDJ-UHFFFAOYSA-N 1 2 329.435 3.756 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Cl)C2)n1 ZINC000880006961 1137764853 /nfs/dbraw/zinc/76/48/53/1137764853.db2.gz AFWWRFVDWBDFGQ-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)n1 ZINC000880006961 1137764854 /nfs/dbraw/zinc/76/48/54/1137764854.db2.gz AFWWRFVDWBDFGQ-GFCCVEGCSA-N 1 2 335.860 3.533 20 0 EHADLO FC[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000880236752 1137771827 /nfs/dbraw/zinc/77/18/27/1137771827.db2.gz HLHFMLGPYPZJRV-SNVBAGLBSA-N 1 2 326.213 3.507 20 0 EHADLO FC[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000880236752 1137771828 /nfs/dbraw/zinc/77/18/28/1137771828.db2.gz HLHFMLGPYPZJRV-SNVBAGLBSA-N 1 2 326.213 3.507 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000880306182 1137774163 /nfs/dbraw/zinc/77/41/63/1137774163.db2.gz NAIPBMUKULCIPT-JTQLQIEISA-N 1 2 348.312 3.624 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000880306182 1137774164 /nfs/dbraw/zinc/77/41/64/1137774164.db2.gz NAIPBMUKULCIPT-JTQLQIEISA-N 1 2 348.312 3.624 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880317190 1137774646 /nfs/dbraw/zinc/77/46/46/1137774646.db2.gz PTIWJZLKUQDFOT-RYUDHWBXSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880317190 1137774647 /nfs/dbraw/zinc/77/46/47/1137774647.db2.gz PTIWJZLKUQDFOT-RYUDHWBXSA-N 1 2 335.860 3.613 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000880371548 1137776853 /nfs/dbraw/zinc/77/68/53/1137776853.db2.gz JZCDGQDISBTPKQ-LJQANCHMSA-N 1 2 329.465 3.601 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000880371548 1137776854 /nfs/dbraw/zinc/77/68/54/1137776854.db2.gz JZCDGQDISBTPKQ-LJQANCHMSA-N 1 2 329.465 3.601 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)n1 ZINC000880387429 1137777516 /nfs/dbraw/zinc/77/75/16/1137777516.db2.gz JYMZAOODLRGURF-GDBMZVCRSA-N 1 2 347.484 3.847 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)n1 ZINC000880387429 1137777517 /nfs/dbraw/zinc/77/75/17/1137777517.db2.gz JYMZAOODLRGURF-GDBMZVCRSA-N 1 2 347.484 3.847 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1ccc(F)cn1)CC2 ZINC000880394233 1137777727 /nfs/dbraw/zinc/77/77/27/1137777727.db2.gz YMKPEGCBKIWAFX-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1ccc(F)cn1)CC2 ZINC000880394233 1137777728 /nfs/dbraw/zinc/77/77/28/1137777728.db2.gz YMKPEGCBKIWAFX-UHFFFAOYSA-N 1 2 330.403 3.531 20 0 EHADLO CO[C@H](C)c1nc(CN[C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569092 1137781406 /nfs/dbraw/zinc/78/14/06/1137781406.db2.gz IMPVXOPAFLYGJV-PBHICJAKSA-N 1 2 342.468 3.578 20 0 EHADLO CCc1nnc(C[N@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)s1 ZINC000626133364 1137788998 /nfs/dbraw/zinc/78/89/98/1137788998.db2.gz MLRCVWQJSCFSRL-BBRMVZONSA-N 1 2 331.485 3.625 20 0 EHADLO CCc1nnc(C[N@@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)s1 ZINC000626133364 1137788999 /nfs/dbraw/zinc/78/89/99/1137788999.db2.gz MLRCVWQJSCFSRL-BBRMVZONSA-N 1 2 331.485 3.625 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626134225 1137791149 /nfs/dbraw/zinc/79/11/49/1137791149.db2.gz CPGLNILDYUFWSZ-DNVCBOLYSA-N 1 2 342.487 3.521 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626134225 1137791150 /nfs/dbraw/zinc/79/11/50/1137791150.db2.gz CPGLNILDYUFWSZ-DNVCBOLYSA-N 1 2 342.487 3.521 20 0 EHADLO CCCOc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1C(C)C ZINC000881197586 1137803384 /nfs/dbraw/zinc/80/33/84/1137803384.db2.gz IIHIGQRCMAGCMU-UHFFFAOYSA-N 1 2 330.432 3.617 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC001137169659 1137817804 /nfs/dbraw/zinc/81/78/04/1137817804.db2.gz LVBJMUZGGGIBDQ-SJORKVTESA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC001137169659 1137817805 /nfs/dbraw/zinc/81/78/05/1137817805.db2.gz LVBJMUZGGGIBDQ-SJORKVTESA-N 1 2 344.842 3.861 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000882034437 1137819434 /nfs/dbraw/zinc/81/94/34/1137819434.db2.gz RIHQNKREZANDHD-LAUBAEHRSA-N 1 2 339.483 3.992 20 0 EHADLO CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000882034437 1137819435 /nfs/dbraw/zinc/81/94/35/1137819435.db2.gz RIHQNKREZANDHD-LAUBAEHRSA-N 1 2 339.483 3.992 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000882034765 1137819485 /nfs/dbraw/zinc/81/94/85/1137819485.db2.gz YUEOVQIOZNKJGZ-FQEVSTJZSA-N 1 2 325.456 3.677 20 0 EHADLO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887949 1137821201 /nfs/dbraw/zinc/82/12/01/1137821201.db2.gz DPJWEMWTPJGVMW-FZKQIMNGSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887949 1137821202 /nfs/dbraw/zinc/82/12/02/1137821202.db2.gz DPJWEMWTPJGVMW-FZKQIMNGSA-N 1 2 343.389 3.512 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882569949 1137829585 /nfs/dbraw/zinc/82/95/85/1137829585.db2.gz SAXBGRLVXPTBSU-RISCZKNCSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000882871813 1137836145 /nfs/dbraw/zinc/83/61/45/1137836145.db2.gz OYLLYGSTPKESJK-SFTDATJTSA-N 1 2 345.446 3.546 20 0 EHADLO CC(C)(CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000882870728 1137836237 /nfs/dbraw/zinc/83/62/37/1137836237.db2.gz PLDYXACURXYAQP-HNNXBMFYSA-N 1 2 335.398 3.812 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000882871811 1137836256 /nfs/dbraw/zinc/83/62/56/1137836256.db2.gz OYLLYGSTPKESJK-NHCUHLMSSA-N 1 2 345.446 3.546 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000130679873 1137840639 /nfs/dbraw/zinc/84/06/39/1137840639.db2.gz UFOLRKJPAQGTSD-SFHVURJKSA-N 1 2 325.456 3.768 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000130679873 1137840640 /nfs/dbraw/zinc/84/06/40/1137840640.db2.gz UFOLRKJPAQGTSD-SFHVURJKSA-N 1 2 325.456 3.768 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1sccc1Cl ZINC000883180748 1137847470 /nfs/dbraw/zinc/84/74/70/1137847470.db2.gz JMTLRPLNPZRNEJ-CYBMUJFWSA-N 1 2 333.848 3.618 20 0 EHADLO CC[C@@H](C)Oc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1OC ZINC000883308607 1137853883 /nfs/dbraw/zinc/85/38/83/1137853883.db2.gz TZLROXCRTNFYKV-OAHLLOKOSA-N 1 2 341.455 3.832 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1OC ZINC000883308606 1137853905 /nfs/dbraw/zinc/85/39/05/1137853905.db2.gz TZLROXCRTNFYKV-HNNXBMFYSA-N 1 2 341.455 3.832 20 0 EHADLO CCS(=O)(=O)Nc1ccc([C@H](C)Nc2c[nH+]c(C)c(C)c2)cc1 ZINC000883342300 1137855946 /nfs/dbraw/zinc/85/59/46/1137855946.db2.gz RQRRAXMLNVYVCB-AWEZNQCLSA-N 1 2 333.457 3.633 20 0 EHADLO COc1ccc(NC(=O)C[C@@H](C)Nc2c[nH+]c(C)c(C)c2)c(OC)c1 ZINC000883341395 1137855958 /nfs/dbraw/zinc/85/59/58/1137855958.db2.gz OZKCGJZOGNKIJA-CYBMUJFWSA-N 1 2 343.427 3.545 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341758 1137856071 /nfs/dbraw/zinc/85/60/71/1137856071.db2.gz ZBHJFRUBLWERAQ-UHFFFAOYSA-N 1 2 338.860 3.758 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c(OC)c1OC ZINC000883383566 1137858574 /nfs/dbraw/zinc/85/85/74/1137858574.db2.gz AYPURODUSDXOMT-AEFFLSMTSA-N 1 2 345.414 3.828 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c(OC)c1OC ZINC000883383569 1137858639 /nfs/dbraw/zinc/85/86/39/1137858639.db2.gz AYPURODUSDXOMT-WMZOPIPTSA-N 1 2 345.414 3.828 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccco1 ZINC000101596932 1137870924 /nfs/dbraw/zinc/87/09/24/1137870924.db2.gz URQWVRKQLLGEFU-KRWDZBQOSA-N 1 2 345.439 3.944 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862300 1137871835 /nfs/dbraw/zinc/87/18/35/1137871835.db2.gz FPNYFSXUTPVBTA-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CCCC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000103180355 1137875459 /nfs/dbraw/zinc/87/54/59/1137875459.db2.gz RHSDRAKECYQXFN-MAUKXSAKSA-N 1 2 344.459 3.511 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000103474634 1137876576 /nfs/dbraw/zinc/87/65/76/1137876576.db2.gz XTIBVFQOWLNGMG-HOTGVXAUSA-N 1 2 342.487 3.783 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000103474634 1137876577 /nfs/dbraw/zinc/87/65/77/1137876577.db2.gz XTIBVFQOWLNGMG-HOTGVXAUSA-N 1 2 342.487 3.783 20 0 EHADLO C[C@H](CC1CCOCC1)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000133098089 1137878083 /nfs/dbraw/zinc/87/80/83/1137878083.db2.gz IPHLMJDKAQRQSC-APWZRJJASA-N 1 2 347.499 3.734 20 0 EHADLO C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348252476 1137880977 /nfs/dbraw/zinc/88/09/77/1137880977.db2.gz CHBKNWGEBAJJQM-CYBMUJFWSA-N 1 2 341.361 3.968 20 0 EHADLO C[C@@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000282853144 1137883622 /nfs/dbraw/zinc/88/36/22/1137883622.db2.gz TYLLDOSKVMZNHR-OYGLOCFBSA-N 1 2 337.467 3.877 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cncc(C(F)(F)F)c1 ZINC000348255986 1137884667 /nfs/dbraw/zinc/88/46/67/1137884667.db2.gz PILFKQOPZSMMOQ-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCCc2ccccc2C1 ZINC000106887179 1137884841 /nfs/dbraw/zinc/88/48/41/1137884841.db2.gz IDHFMJVNNVSSHF-ZDUSSCGKSA-N 1 2 329.831 3.510 20 0 EHADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCCc2ccccc2C1 ZINC000106887179 1137884842 /nfs/dbraw/zinc/88/48/42/1137884842.db2.gz IDHFMJVNNVSSHF-ZDUSSCGKSA-N 1 2 329.831 3.510 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348286552 1137898869 /nfs/dbraw/zinc/89/88/69/1137898869.db2.gz SBTBJOMWWNLWFM-FOGDFJRCSA-N 1 2 325.334 3.669 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348286552 1137898870 /nfs/dbraw/zinc/89/88/70/1137898870.db2.gz SBTBJOMWWNLWFM-FOGDFJRCSA-N 1 2 325.334 3.669 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cs1 ZINC000111375862 1137904440 /nfs/dbraw/zinc/90/44/40/1137904440.db2.gz UXHRZPMKAHNWDJ-BFHYXJOUSA-N 1 2 343.496 3.722 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567833 1137912893 /nfs/dbraw/zinc/91/28/93/1137912893.db2.gz VRMZYJVTVANJHL-JSGCOSHPSA-N 1 2 333.457 3.825 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567833 1137912894 /nfs/dbraw/zinc/91/28/94/1137912894.db2.gz VRMZYJVTVANJHL-JSGCOSHPSA-N 1 2 333.457 3.825 20 0 EHADLO CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000331690578 1137917277 /nfs/dbraw/zinc/91/72/77/1137917277.db2.gz WTTQZAZQAZLACS-CZUORRHYSA-N 1 2 333.819 3.525 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)NCCCNc1cccc[nH+]1 ZINC000115159906 1137920728 /nfs/dbraw/zinc/92/07/28/1137920728.db2.gz FUVHIVNMVPEGDF-UHFFFAOYSA-N 1 2 336.439 3.504 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)ccc1Cl ZINC000331891077 1137924680 /nfs/dbraw/zinc/92/46/80/1137924680.db2.gz GOGLIQKQKZTWMF-UHFFFAOYSA-N 1 2 339.226 3.848 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000331908503 1137925234 /nfs/dbraw/zinc/92/52/34/1137925234.db2.gz MRIQYSMCZJYFSS-MRXNPFEDSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)o2)c(C)o1 ZINC000332081214 1137931008 /nfs/dbraw/zinc/93/10/08/1137931008.db2.gz LMAQLQJBWGPEAK-NSHDSACASA-N 1 2 329.322 3.721 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)o2)c(C)o1 ZINC000332081214 1137931009 /nfs/dbraw/zinc/93/10/09/1137931009.db2.gz LMAQLQJBWGPEAK-NSHDSACASA-N 1 2 329.322 3.721 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)n1 ZINC000118848799 1137935967 /nfs/dbraw/zinc/93/59/67/1137935967.db2.gz ROPIDMGILZKVFI-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO CCCn1c(C[NH2+]Cc2cn3cccc(C)c3n2)nc2ccccc21 ZINC000119336429 1137940728 /nfs/dbraw/zinc/94/07/28/1137940728.db2.gz MYEZWDDDEAJTGW-UHFFFAOYSA-N 1 2 333.439 3.692 20 0 EHADLO Cc1nc([C@@H]2C[N@H+](Cc3c(C)cc(C(C)(C)C)cc3C)CCO2)no1 ZINC000332352221 1137941110 /nfs/dbraw/zinc/94/11/10/1137941110.db2.gz SUIUHSWDSGKNBF-SFHVURJKSA-N 1 2 343.471 3.866 20 0 EHADLO Cc1nc([C@@H]2C[N@@H+](Cc3c(C)cc(C(C)(C)C)cc3C)CCO2)no1 ZINC000332352221 1137941111 /nfs/dbraw/zinc/94/11/11/1137941111.db2.gz SUIUHSWDSGKNBF-SFHVURJKSA-N 1 2 343.471 3.866 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332585740 1137947890 /nfs/dbraw/zinc/94/78/90/1137947890.db2.gz JVBHVDITHRWAGC-ZRGWGRIASA-N 1 2 343.471 3.549 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332585740 1137947891 /nfs/dbraw/zinc/94/78/91/1137947891.db2.gz JVBHVDITHRWAGC-ZRGWGRIASA-N 1 2 343.471 3.549 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000120731954 1137952140 /nfs/dbraw/zinc/95/21/40/1137952140.db2.gz HTCJAPXFPICLBM-HNNXBMFYSA-N 1 2 339.464 3.939 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000120731954 1137952141 /nfs/dbraw/zinc/95/21/41/1137952141.db2.gz HTCJAPXFPICLBM-HNNXBMFYSA-N 1 2 339.464 3.939 20 0 EHADLO Cc1cc(N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)nc(C)[nH+]1 ZINC000333114276 1137955753 /nfs/dbraw/zinc/95/57/53/1137955753.db2.gz YHZAAYGRAYGYKK-INIZCTEOSA-N 1 2 340.475 3.643 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)c(C)[nH+]1 ZINC000333189197 1137957689 /nfs/dbraw/zinc/95/76/89/1137957689.db2.gz NREVNDFXXFQMTR-XJKSGUPXSA-N 1 2 325.412 3.693 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(=S)o1 ZINC000884482732 1137960930 /nfs/dbraw/zinc/96/09/30/1137960930.db2.gz GZPYKGBBKNRACP-GDBMZVCRSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(=S)o1 ZINC000884482732 1137960931 /nfs/dbraw/zinc/96/09/31/1137960931.db2.gz GZPYKGBBKNRACP-GDBMZVCRSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCN4C(=O)c5ccccc5[C@@H]4C3)ccc2c1 ZINC001137210936 1137961444 /nfs/dbraw/zinc/96/14/44/1137961444.db2.gz HVVVTRZUWVDEMK-NRFANRHFSA-N 1 2 343.430 3.556 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCN4C(=O)c5ccccc5[C@@H]4C3)ccc2c1 ZINC001137210936 1137961445 /nfs/dbraw/zinc/96/14/45/1137961445.db2.gz HVVVTRZUWVDEMK-NRFANRHFSA-N 1 2 343.430 3.556 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337330 1137976963 /nfs/dbraw/zinc/97/69/63/1137976963.db2.gz BXFFBEYTHHRHFO-SFHVURJKSA-N 1 2 333.476 3.507 20 0 EHADLO C[NH+](C)Cc1cnc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337330 1137976966 /nfs/dbraw/zinc/97/69/66/1137976966.db2.gz BXFFBEYTHHRHFO-SFHVURJKSA-N 1 2 333.476 3.507 20 0 EHADLO CN(C)Cc1cnc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337330 1137976971 /nfs/dbraw/zinc/97/69/71/1137976971.db2.gz BXFFBEYTHHRHFO-SFHVURJKSA-N 1 2 333.476 3.507 20 0 EHADLO CN(C)Cc1cnc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)s1 ZINC000348337330 1137976974 /nfs/dbraw/zinc/97/69/74/1137976974.db2.gz BXFFBEYTHHRHFO-SFHVURJKSA-N 1 2 333.476 3.507 20 0 EHADLO Cc1ccc2nc(CN3CC[N@@H+]4CCc5ccccc5[C@H]4C3)ccc2c1 ZINC001137217465 1137988101 /nfs/dbraw/zinc/98/81/01/1137988101.db2.gz ZKVAKPQTTZHSHK-HSZRJFAPSA-N 1 2 343.474 3.958 20 0 EHADLO Cc1ccc2nc(CN3CC[N@H+]4CCc5ccccc5[C@H]4C3)ccc2c1 ZINC001137217465 1137988103 /nfs/dbraw/zinc/98/81/03/1137988103.db2.gz ZKVAKPQTTZHSHK-HSZRJFAPSA-N 1 2 343.474 3.958 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000885242931 1137991190 /nfs/dbraw/zinc/99/11/90/1137991190.db2.gz SSDOMTJHZYWUCS-MRXNPFEDSA-N 1 2 337.876 3.599 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000885242930 1137991340 /nfs/dbraw/zinc/99/13/40/1137991340.db2.gz SSDOMTJHZYWUCS-INIZCTEOSA-N 1 2 337.876 3.599 20 0 EHADLO Cc1nc(N(C)CCOc2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC001649169694 1138019160 /nfs/dbraw/zinc/01/91/60/1138019160.db2.gz ZZEHSQYYFPYNGH-UHFFFAOYSA-N 1 2 331.847 3.832 20 0 EHADLO Cc1cn[nH]c1CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000886122514 1138049032 /nfs/dbraw/zinc/04/90/32/1138049032.db2.gz CNRUYIUUCKLJAN-GOSISDBHSA-N 1 2 348.441 3.702 20 0 EHADLO C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206601 1138059133 /nfs/dbraw/zinc/05/91/33/1138059133.db2.gz YHPVPBCTTGKMBT-IKGGRYGDSA-N 1 2 331.460 3.822 20 0 EHADLO C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206601 1138059136 /nfs/dbraw/zinc/05/91/36/1138059136.db2.gz YHPVPBCTTGKMBT-IKGGRYGDSA-N 1 2 331.460 3.822 20 0 EHADLO CCCCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890265175 1138069787 /nfs/dbraw/zinc/06/97/87/1138069787.db2.gz MVWCNJSWTJRDMI-GOSISDBHSA-N 1 2 326.444 3.599 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCc3c2cccc3F)cs1)C1CC1 ZINC000886364353 1138071057 /nfs/dbraw/zinc/07/10/57/1138071057.db2.gz XKERKWUHXTYOLI-QGZVFWFLSA-N 1 2 345.443 3.575 20 0 EHADLO FC(F)(F)[C@H]1C[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)CCO1 ZINC000348383960 1138078862 /nfs/dbraw/zinc/07/88/62/1138078862.db2.gz UTRCQQOKIMYQLF-TZMCWYRMSA-N 1 2 329.366 3.594 20 0 EHADLO CC(C)CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000066940541 1138079058 /nfs/dbraw/zinc/07/90/58/1138079058.db2.gz YSOSPNAZJZHSCM-LJQANCHMSA-N 1 2 344.430 3.567 20 0 EHADLO CCC(CC)c1cc(C[NH2+][C@H](C)c2cncc(C(=O)OC)c2)on1 ZINC000886532499 1138091458 /nfs/dbraw/zinc/09/14/58/1138091458.db2.gz KEMHLUSLRBHNNM-GFCCVEGCSA-N 1 2 331.416 3.611 20 0 EHADLO C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1Cl ZINC000076318146 1138130956 /nfs/dbraw/zinc/13/09/56/1138130956.db2.gz UVZNAXIBAMGVJQ-YVEFUNNKSA-N 1 2 334.822 3.959 20 0 EHADLO COc1ccc(SCCC(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000076999472 1138136439 /nfs/dbraw/zinc/13/64/39/1138136439.db2.gz ZBNQWDVNBAXVBV-UHFFFAOYSA-N 1 2 332.425 3.528 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2nc(C)cs2)c1 ZINC000079055183 1138154174 /nfs/dbraw/zinc/15/41/74/1138154174.db2.gz IPDRAZIMWGTBLM-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000080015900 1138160247 /nfs/dbraw/zinc/16/02/47/1138160247.db2.gz BVTQODAHMNPJGX-YJBOKZPZSA-N 1 2 326.444 3.502 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080914703 1138164886 /nfs/dbraw/zinc/16/48/86/1138164886.db2.gz PLCGSJRWFXQVIN-QWHCGFSZSA-N 1 2 349.837 3.572 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080914703 1138164888 /nfs/dbraw/zinc/16/48/88/1138164888.db2.gz PLCGSJRWFXQVIN-QWHCGFSZSA-N 1 2 349.837 3.572 20 0 EHADLO CC[C@@H]([NH2+]Cc1noc(CCOC)n1)c1cccc2ccccc21 ZINC000886919803 1138172435 /nfs/dbraw/zinc/17/24/35/1138172435.db2.gz VVHUTUKGGAKNKI-QGZVFWFLSA-N 1 2 325.412 3.653 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000090955741 1138214698 /nfs/dbraw/zinc/21/46/98/1138214698.db2.gz KSFHPVMCZHVKBW-XLIONFOSSA-N 1 2 336.414 3.711 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000093159874 1138234563 /nfs/dbraw/zinc/23/45/63/1138234563.db2.gz DJMHVCDNVGFCMU-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000093159874 1138234565 /nfs/dbraw/zinc/23/45/65/1138234565.db2.gz DJMHVCDNVGFCMU-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO C[N@H+](CCc1nccs1)Cc1c(F)cccc1Br ZINC000093208325 1138235055 /nfs/dbraw/zinc/23/50/55/1138235055.db2.gz MIGNTDYWLJABLM-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO C[N@@H+](CCc1nccs1)Cc1c(F)cccc1Br ZINC000093208325 1138235057 /nfs/dbraw/zinc/23/50/57/1138235057.db2.gz MIGNTDYWLJABLM-UHFFFAOYSA-N 1 2 329.238 3.719 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(C)ccc1OC ZINC000093369684 1138236769 /nfs/dbraw/zinc/23/67/69/1138236769.db2.gz LHYYVJMTYBRCAV-MRXNPFEDSA-N 1 2 328.460 3.562 20 0 EHADLO COc1ccccc1[C@@H](CN[C@H](C)c1nccs1)[NH+]1CCCC1 ZINC000093369027 1138237171 /nfs/dbraw/zinc/23/71/71/1138237171.db2.gz VHGAWCPTOJETHD-GDBMZVCRSA-N 1 2 331.485 3.639 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000282981548 1138278858 /nfs/dbraw/zinc/27/88/58/1138278858.db2.gz DLZGUHVZEHRVHR-QWRGUYRKSA-N 1 2 330.457 3.607 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124128936 1138279876 /nfs/dbraw/zinc/27/98/76/1138279876.db2.gz BOGZCSQJDWDHQL-MAUKXSAKSA-N 1 2 341.455 3.784 20 0 EHADLO Clc1nc2ccccn2c1CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000098161617 1138286878 /nfs/dbraw/zinc/28/68/78/1138286878.db2.gz DVYJLLAFHYOQJX-AWEZNQCLSA-N 1 2 344.846 3.507 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000124751931 1138294051 /nfs/dbraw/zinc/29/40/51/1138294051.db2.gz UDWUQGRKOJUHLU-OXJNMPFZSA-N 1 2 333.435 3.689 20 0 EHADLO CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125611407 1138312554 /nfs/dbraw/zinc/31/25/54/1138312554.db2.gz UAFCXBWRKBELAS-APWZRJJASA-N 1 2 341.455 3.785 20 0 EHADLO O=C(CC[C@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333675334 1138318347 /nfs/dbraw/zinc/31/83/47/1138318347.db2.gz DIUFZYBTDICMAN-MRXNPFEDSA-N 1 2 339.439 3.784 20 0 EHADLO c1cc2c(cc1-c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000333711064 1138323606 /nfs/dbraw/zinc/32/36/06/1138323606.db2.gz MDIDPMXASJROHQ-QZTJIDSGSA-N 1 2 339.439 3.541 20 0 EHADLO c1cc2c(cc1-c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000333711064 1138323611 /nfs/dbraw/zinc/32/36/11/1138323611.db2.gz MDIDPMXASJROHQ-QZTJIDSGSA-N 1 2 339.439 3.541 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333713187 1138324025 /nfs/dbraw/zinc/32/40/25/1138324025.db2.gz IQTYYSJIIRBEFT-GOSISDBHSA-N 1 2 345.487 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333713187 1138324029 /nfs/dbraw/zinc/32/40/29/1138324029.db2.gz IQTYYSJIIRBEFT-GOSISDBHSA-N 1 2 345.487 3.898 20 0 EHADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000126098105 1138324233 /nfs/dbraw/zinc/32/42/33/1138324233.db2.gz PLPHHNVKEJQXHD-AWEZNQCLSA-N 1 2 347.409 3.862 20 0 EHADLO C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000126159959 1138325854 /nfs/dbraw/zinc/32/58/54/1138325854.db2.gz RKDMZBNHPZRXEJ-RQIGNHDYSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000333729934 1138326563 /nfs/dbraw/zinc/32/65/63/1138326563.db2.gz KVXGEIGKBMLANQ-LBTNJELSSA-N 1 2 339.439 3.638 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(-c3ccccc3)n2C)c1C ZINC000126767183 1138338226 /nfs/dbraw/zinc/33/82/26/1138338226.db2.gz NEXWOELKQFNFGP-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000127734507 1138368832 /nfs/dbraw/zinc/36/88/32/1138368832.db2.gz OPUBEBQYEVYENH-JSGCOSHPSA-N 1 2 341.440 3.608 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)nc4onc(C(C)C)c43)ccc2[nH+]1 ZINC000263818376 1138373468 /nfs/dbraw/zinc/37/34/68/1138373468.db2.gz LIBFKRYDIWRTIN-UHFFFAOYSA-N 1 2 349.394 3.863 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000127999198 1138377431 /nfs/dbraw/zinc/37/74/31/1138377431.db2.gz FIBLNNQYOOLSPY-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000127999198 1138377432 /nfs/dbraw/zinc/37/74/32/1138377432.db2.gz FIBLNNQYOOLSPY-HNNXBMFYSA-N 1 2 325.456 3.838 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000128555634 1138392918 /nfs/dbraw/zinc/39/29/18/1138392918.db2.gz BZASVJFDTKABRP-MAUKXSAKSA-N 1 2 342.443 3.785 20 0 EHADLO Cc1cccc(C)c1OCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000264000244 1138403772 /nfs/dbraw/zinc/40/37/72/1138403772.db2.gz AAUHKGCRCPMADP-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO Cc1cccc(C)c1OCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000264000244 1138403774 /nfs/dbraw/zinc/40/37/74/1138403774.db2.gz AAUHKGCRCPMADP-UHFFFAOYSA-N 1 2 341.377 3.573 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000264096481 1138417694 /nfs/dbraw/zinc/41/76/94/1138417694.db2.gz QSVHGUKWBPFSFV-UHFFFAOYSA-N 1 2 338.411 3.586 20 0 EHADLO CCCc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000336948488 1138432972 /nfs/dbraw/zinc/43/29/72/1138432972.db2.gz QNGBEYQYXHRARB-UHFFFAOYSA-N 1 2 331.847 3.966 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000337082004 1138462613 /nfs/dbraw/zinc/46/26/13/1138462613.db2.gz XBFSEQHNJCWEDE-ZDUSSCGKSA-N 1 2 340.452 3.617 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccsc1 ZINC000337128619 1138473165 /nfs/dbraw/zinc/47/31/65/1138473165.db2.gz ABUAABZRIGISBZ-CABCVRRESA-N 1 2 343.496 3.791 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)o1 ZINC000130972045 1138487651 /nfs/dbraw/zinc/48/76/51/1138487651.db2.gz SMFKIQBDUKJPGS-KRWDZBQOSA-N 1 2 325.412 3.650 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)o1 ZINC000130972045 1138487654 /nfs/dbraw/zinc/48/76/54/1138487654.db2.gz SMFKIQBDUKJPGS-KRWDZBQOSA-N 1 2 325.412 3.650 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)o1 ZINC000131018296 1138490702 /nfs/dbraw/zinc/49/07/02/1138490702.db2.gz VXFVPDUWGIPKFV-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)ccc2C)o1 ZINC000131018296 1138490703 /nfs/dbraw/zinc/49/07/03/1138490703.db2.gz VXFVPDUWGIPKFV-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)o1 ZINC000131126215 1138497185 /nfs/dbraw/zinc/49/71/85/1138497185.db2.gz SFZNEJDPTGKECN-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2C)o1 ZINC000131126215 1138497188 /nfs/dbraw/zinc/49/71/88/1138497188.db2.gz SFZNEJDPTGKECN-GOSISDBHSA-N 1 2 342.439 3.818 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cnccc1Oc1ccccc1 ZINC000337277264 1138516874 /nfs/dbraw/zinc/51/68/74/1138516874.db2.gz RPCVKZYYGLXFFQ-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO O=C([C@H]1CCCC(F)(F)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337419159 1138562966 /nfs/dbraw/zinc/56/29/66/1138562966.db2.gz TUIMCVDOEZDSKP-INIZCTEOSA-N 1 2 339.430 3.727 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)cn21 ZINC000337490781 1138585065 /nfs/dbraw/zinc/58/50/65/1138585065.db2.gz DYPPSYPXEYXYGF-SFHVURJKSA-N 1 2 349.434 3.751 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)cn21 ZINC000337490781 1138585067 /nfs/dbraw/zinc/58/50/67/1138585067.db2.gz DYPPSYPXEYXYGF-SFHVURJKSA-N 1 2 349.434 3.751 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1cccc(Cl)c1 ZINC000264641852 1138588882 /nfs/dbraw/zinc/58/88/82/1138588882.db2.gz MVVRDDJUOKSLMV-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1cccc(Cl)c1 ZINC000264641852 1138588883 /nfs/dbraw/zinc/58/88/83/1138588883.db2.gz MVVRDDJUOKSLMV-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO Clc1ccc2c(c1)ncnc2NCc1ccccc1-n1cc[nH+]c1 ZINC000337536762 1138598296 /nfs/dbraw/zinc/59/82/96/1138598296.db2.gz YKOIFNQCARXPLB-UHFFFAOYSA-N 1 2 335.798 3.503 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3s2)cc(OC)c1O ZINC000264699678 1138609782 /nfs/dbraw/zinc/60/97/82/1138609782.db2.gz AHENWFVGCUNDGY-UHFFFAOYSA-N 1 2 344.436 3.651 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)cc(OC)c1O ZINC000264699678 1138609785 /nfs/dbraw/zinc/60/97/85/1138609785.db2.gz AHENWFVGCUNDGY-UHFFFAOYSA-N 1 2 344.436 3.651 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c(C)n1C(C)C ZINC000337574987 1138610224 /nfs/dbraw/zinc/61/02/24/1138610224.db2.gz FPKQREKESDXEEX-IBGZPJMESA-N 1 2 343.446 3.612 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cs1 ZINC000337694769 1138645514 /nfs/dbraw/zinc/64/55/14/1138645514.db2.gz RQMFRLRPZCAHFX-UHFFFAOYSA-N 1 2 347.459 3.695 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000133576757 1138645759 /nfs/dbraw/zinc/64/57/59/1138645759.db2.gz ZOYJXHTVSUYJQU-QGZVFWFLSA-N 1 2 346.450 3.841 20 0 EHADLO Fc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc(F)c1F ZINC000135130737 1138728149 /nfs/dbraw/zinc/72/81/49/1138728149.db2.gz OJJYYJUZPUDYSK-AWEZNQCLSA-N 1 2 348.328 3.819 20 0 EHADLO Fc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc(F)c1F ZINC000135130737 1138728151 /nfs/dbraw/zinc/72/81/51/1138728151.db2.gz OJJYYJUZPUDYSK-AWEZNQCLSA-N 1 2 348.328 3.819 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315273 1138830517 /nfs/dbraw/zinc/83/05/17/1138830517.db2.gz LQRVTXKIVCUTLU-HZPDHXFCSA-N 1 2 334.508 3.593 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315273 1138830520 /nfs/dbraw/zinc/83/05/20/1138830520.db2.gz LQRVTXKIVCUTLU-HZPDHXFCSA-N 1 2 334.508 3.593 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOc2ccc3ccccc3c2)[nH]1 ZINC000338327141 1138835201 /nfs/dbraw/zinc/83/52/01/1138835201.db2.gz KKXLTLPOKQJQKC-IBGZPJMESA-N 1 2 336.439 3.872 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCOc2ccc3ccccc3c2)[nH]1 ZINC000338327141 1138835209 /nfs/dbraw/zinc/83/52/09/1138835209.db2.gz KKXLTLPOKQJQKC-IBGZPJMESA-N 1 2 336.439 3.872 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2cccs2)c(C)c1 ZINC000338415758 1138904214 /nfs/dbraw/zinc/90/42/14/1138904214.db2.gz YOISQFBLTZSRMZ-GOSISDBHSA-N 1 2 339.464 3.662 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000265540818 1138953611 /nfs/dbraw/zinc/95/36/11/1138953611.db2.gz HKOCINFUIVXLOW-UHFFFAOYSA-N 1 2 325.456 3.659 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCc2cccc3cccc1c32 ZINC000887875330 1138965621 /nfs/dbraw/zinc/96/56/21/1138965621.db2.gz MJOYKJHYKOLUPS-LJQANCHMSA-N 1 2 348.450 3.803 20 0 EHADLO C[C@H](CCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151602698 1139047105 /nfs/dbraw/zinc/04/71/05/1139047105.db2.gz GEDKIFQXIJVTAY-AOIWGVFYSA-N 1 2 325.456 3.877 20 0 EHADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1ccccn1 ZINC000152435429 1139091358 /nfs/dbraw/zinc/09/13/58/1139091358.db2.gz FFITZPZZUFMNKL-GUYCJALGSA-N 1 2 347.256 3.806 20 0 EHADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1ccccn1 ZINC000152435429 1139091367 /nfs/dbraw/zinc/09/13/67/1139091367.db2.gz FFITZPZZUFMNKL-GUYCJALGSA-N 1 2 347.256 3.806 20 0 EHADLO O=C(CCCCCc1cccs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152601755 1139099942 /nfs/dbraw/zinc/09/99/42/1139099942.db2.gz RRUXKZWRENUXOU-INIZCTEOSA-N 1 2 343.496 3.641 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152889930 1139112422 /nfs/dbraw/zinc/11/24/22/1139112422.db2.gz SGTUAHWZQCWKQL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152889930 1139112428 /nfs/dbraw/zinc/11/24/28/1139112428.db2.gz SGTUAHWZQCWKQL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153276308 1139129702 /nfs/dbraw/zinc/12/97/02/1139129702.db2.gz WNPHTGKFKZAUPS-HNNXBMFYSA-N 1 2 347.409 3.562 20 0 EHADLO CN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC(C)(C)C1 ZINC000889544077 1139229391 /nfs/dbraw/zinc/22/93/91/1139229391.db2.gz COIAXIACOXTUEX-SHTZXODSSA-N 1 2 330.476 3.635 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC(C2CCCC2)C1 ZINC000889548596 1139230403 /nfs/dbraw/zinc/23/04/03/1139230403.db2.gz IAMWEXXAIMAMRH-IYARVYRRSA-N 1 2 342.487 3.636 20 0 EHADLO C[C@@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889550270 1139231125 /nfs/dbraw/zinc/23/11/25/1139231125.db2.gz CUQVWKPCZRTWLE-BRWVUGGUSA-N 1 2 342.487 3.779 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000889557011 1139233692 /nfs/dbraw/zinc/23/36/92/1139233692.db2.gz PQQGJYCGFYNEEW-TVFCKZIOSA-N 1 2 342.487 3.779 20 0 EHADLO CCCCN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889561299 1139234481 /nfs/dbraw/zinc/23/44/81/1139234481.db2.gz GYEWNLVDBKDSCO-WKILWMFISA-N 1 2 330.476 3.779 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000826683224 1139314016 /nfs/dbraw/zinc/31/40/16/1139314016.db2.gz UZNRAVNEZMHIQF-LJQANCHMSA-N 1 2 335.451 3.686 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000826683224 1139314025 /nfs/dbraw/zinc/31/40/25/1139314025.db2.gz UZNRAVNEZMHIQF-LJQANCHMSA-N 1 2 335.451 3.686 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255296 1139332045 /nfs/dbraw/zinc/33/20/45/1139332045.db2.gz QRHLHPCHGNXQKX-CGTJXYLNSA-N 1 2 326.444 3.597 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000174368188 1139415959 /nfs/dbraw/zinc/41/59/59/1139415959.db2.gz ZRJMBJJDWUAZFB-UONOGXRCSA-N 1 2 325.416 3.791 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H](C)C[C@@H]2CCOC2)c2ccc(Cl)cc2)no1 ZINC000777304254 1139544013 /nfs/dbraw/zinc/54/40/13/1139544013.db2.gz PGFHNCZFFFIPTM-PVXIVEMSSA-N 1 2 335.835 3.526 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000177368778 1139616833 /nfs/dbraw/zinc/61/68/33/1139616833.db2.gz VVOXATHDTCGJMU-OAHLLOKOSA-N 1 2 335.883 3.572 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000177368778 1139616838 /nfs/dbraw/zinc/61/68/38/1139616838.db2.gz VVOXATHDTCGJMU-OAHLLOKOSA-N 1 2 335.883 3.572 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177641461 1139630831 /nfs/dbraw/zinc/63/08/31/1139630831.db2.gz KSNLBOSSQGWPGI-CYBMUJFWSA-N 1 2 329.444 3.525 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177641461 1139630834 /nfs/dbraw/zinc/63/08/34/1139630834.db2.gz KSNLBOSSQGWPGI-CYBMUJFWSA-N 1 2 329.444 3.525 20 0 EHADLO CC[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000177731661 1139636557 /nfs/dbraw/zinc/63/65/57/1139636557.db2.gz MWGZKTQFRJMLBB-ZHALLVOQSA-N 1 2 340.471 3.669 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cnc(Cl)c(C)c2)c1C ZINC000177964628 1139659981 /nfs/dbraw/zinc/65/99/81/1139659981.db2.gz PIUPVGNJVXODMC-UHFFFAOYSA-N 1 2 348.834 3.728 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3nc(C)ccc3c2)c1C ZINC000178509224 1139700135 /nfs/dbraw/zinc/70/01/35/1139700135.db2.gz YWFJASYPJXKJNF-UHFFFAOYSA-N 1 2 349.434 3.836 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)c1C ZINC000178649387 1139709325 /nfs/dbraw/zinc/70/93/25/1139709325.db2.gz TWIQPVAODYQKCW-HUUCEWRRSA-N 1 2 344.480 3.839 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504542 1139762066 /nfs/dbraw/zinc/76/20/66/1139762066.db2.gz HULAJJXGAQCFHD-AWEZNQCLSA-N 1 2 348.397 3.663 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504542 1139762073 /nfs/dbraw/zinc/76/20/73/1139762073.db2.gz HULAJJXGAQCFHD-AWEZNQCLSA-N 1 2 348.397 3.663 20 0 EHADLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(F)c3)n2)cc1 ZINC000179578325 1139766324 /nfs/dbraw/zinc/76/63/24/1139766324.db2.gz ZOBDCJQUIBOWIX-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(OC(F)F)cc1 ZINC000179605660 1139767418 /nfs/dbraw/zinc/76/74/18/1139767418.db2.gz WLQCSMVIYVMEIC-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO CCCn1c(C)nnc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000180521571 1139841124 /nfs/dbraw/zinc/84/11/24/1139841124.db2.gz BIIWOEDELWNFQY-UHFFFAOYSA-N 1 2 349.276 3.538 20 0 EHADLO Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000180569115 1139846925 /nfs/dbraw/zinc/84/69/25/1139846925.db2.gz ZUAVLKJICVAVHN-AWEZNQCLSA-N 1 2 338.308 3.652 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(CCC(C)C)o2)n1-c1ccccc1 ZINC000181782015 1139930116 /nfs/dbraw/zinc/93/01/16/1139930116.db2.gz FSEINFFKASFHOJ-UHFFFAOYSA-N 1 2 325.416 3.764 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000181985791 1139943929 /nfs/dbraw/zinc/94/39/29/1139943929.db2.gz PEAJOWHQVQPAMO-KRWDZBQOSA-N 1 2 345.443 3.625 20 0 EHADLO CCCC[C@@H]([NH2+]Cc1nc([C@@H](C)OC)no1)c1ccc(OC)cc1 ZINC000182142795 1139953284 /nfs/dbraw/zinc/95/32/84/1139953284.db2.gz ICSOADDOBAFSMW-CZUORRHYSA-N 1 2 333.432 3.807 20 0 EHADLO Clc1cc(Cl)c(OCC[NH2+]Cc2csnn2)c(Cl)c1 ZINC000182543093 1139979220 /nfs/dbraw/zinc/97/92/20/1139979220.db2.gz SWHQIMUKPHGWJR-UHFFFAOYSA-N 1 2 338.647 3.667 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000183008719 1140007324 /nfs/dbraw/zinc/00/73/24/1140007324.db2.gz LLIMNEWQFRMLBJ-UWVGGRQHSA-N 1 2 329.322 3.647 20 0 EHADLO C[C@@H](CCn1cccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000183946052 1140069107 /nfs/dbraw/zinc/06/91/07/1140069107.db2.gz IJFARZINVYFPIR-INIZCTEOSA-N 1 2 335.455 3.974 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183978823 1140071579 /nfs/dbraw/zinc/07/15/79/1140071579.db2.gz CNARAENGGTVMDH-UHFFFAOYSA-N 1 2 331.485 3.786 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184325452 1140096062 /nfs/dbraw/zinc/09/60/62/1140096062.db2.gz NZVYLGAJWYXDPW-CYBMUJFWSA-N 1 2 342.443 3.911 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)o1 ZINC000184346311 1140097547 /nfs/dbraw/zinc/09/75/47/1140097547.db2.gz DOEPHGATGIGKBV-VIFPVBQESA-N 1 2 332.404 3.800 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1nc(C)cs1 ZINC000184373285 1140098974 /nfs/dbraw/zinc/09/89/74/1140098974.db2.gz OEIOHGCELKHAIW-NSHDSACASA-N 1 2 348.497 3.607 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccco1 ZINC000184516620 1140106745 /nfs/dbraw/zinc/10/67/45/1140106745.db2.gz MYCXRULHUOQWSZ-ZDUSSCGKSA-N 1 2 344.636 3.909 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cs1 ZINC000184684457 1140115263 /nfs/dbraw/zinc/11/52/63/1140115263.db2.gz AKLDBBGRBJSVSQ-CHWSQXEVSA-N 1 2 349.475 3.715 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)cs1 ZINC000184733749 1140117980 /nfs/dbraw/zinc/11/79/80/1140117980.db2.gz QUSHFXBBORYYOA-CQSZACIVSA-N 1 2 331.485 3.798 20 0 EHADLO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000184892897 1140124497 /nfs/dbraw/zinc/12/44/97/1140124497.db2.gz VZIUHFZALVWARK-HNNXBMFYSA-N 1 2 329.444 3.638 20 0 EHADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185892383 1140175873 /nfs/dbraw/zinc/17/58/73/1140175873.db2.gz COADDDJOGFSMQL-JOCBIADPSA-N 1 2 330.472 3.526 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1Br ZINC000186539844 1140209179 /nfs/dbraw/zinc/20/91/79/1140209179.db2.gz DGFCGJIZVWISAV-YGRLFVJLSA-N 1 2 342.208 3.956 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000188995375 1140316546 /nfs/dbraw/zinc/31/65/46/1140316546.db2.gz DTCVJSVXBDDORZ-LJQANCHMSA-N 1 2 339.439 3.921 20 0 EHADLO FC(F)COCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000189090382 1140319891 /nfs/dbraw/zinc/31/98/91/1140319891.db2.gz ZLKJHYAIPXSRBO-CQSZACIVSA-N 1 2 337.370 3.545 20 0 EHADLO FC(F)COCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000189090382 1140319895 /nfs/dbraw/zinc/31/98/95/1140319895.db2.gz ZLKJHYAIPXSRBO-CQSZACIVSA-N 1 2 337.370 3.545 20 0 EHADLO C[C@@H](O)C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191308936 1140453152 /nfs/dbraw/zinc/45/31/52/1140453152.db2.gz LDAFLFSUXJTGLM-MRVPVSSYSA-N 1 2 338.698 3.757 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192047193 1140499084 /nfs/dbraw/zinc/49/90/84/1140499084.db2.gz NVNYRJNEEBWXOZ-RHSMWYFYSA-N 1 2 335.835 3.541 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000192211962 1140511485 /nfs/dbraw/zinc/51/14/85/1140511485.db2.gz NAOFULRTTGWSDV-LBPRGKRZSA-N 1 2 345.493 3.810 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](CC)c1ccccc1 ZINC000192260463 1140516766 /nfs/dbraw/zinc/51/67/66/1140516766.db2.gz UZQUYDNHWZBLMV-SFHVURJKSA-N 1 2 327.472 3.878 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763021 1140549078 /nfs/dbraw/zinc/54/90/78/1140549078.db2.gz GJKWBVAMDZZNHE-STQMWFEESA-N 1 2 345.418 3.830 20 0 EHADLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2sc(C)nc2C)n1 ZINC000266159508 1140649259 /nfs/dbraw/zinc/64/92/59/1140649259.db2.gz NAYFWOXFASXQPZ-NSHDSACASA-N 1 2 344.440 3.669 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267184520 1140765837 /nfs/dbraw/zinc/76/58/37/1140765837.db2.gz AGENLTHSBSDGOO-CYBMUJFWSA-N 1 2 347.846 3.872 20 0 EHADLO COc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)ccc1SC ZINC000267634970 1140813859 /nfs/dbraw/zinc/81/38/59/1140813859.db2.gz OZAWZBXGGZYMFP-LLVKDONJSA-N 1 2 338.498 3.871 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274358616 1140818176 /nfs/dbraw/zinc/81/81/76/1140818176.db2.gz MLVBFOYXXOJCBW-AWEZNQCLSA-N 1 2 344.421 3.586 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274358616 1140818186 /nfs/dbraw/zinc/81/81/86/1140818186.db2.gz MLVBFOYXXOJCBW-AWEZNQCLSA-N 1 2 344.421 3.586 20 0 EHADLO CCCn1c(SCc2c[nH+]cn2C)nnc1-c1cccc(C)c1 ZINC000267821491 1140839451 /nfs/dbraw/zinc/83/94/51/1140839451.db2.gz XNSVKONROOVYBT-UHFFFAOYSA-N 1 2 327.457 3.689 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267950478 1140855266 /nfs/dbraw/zinc/85/52/66/1140855266.db2.gz GUWGNBCEAXMFRN-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO CC(C)(C)c1csc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000268013020 1140867200 /nfs/dbraw/zinc/86/72/00/1140867200.db2.gz HPROGEHSSHPCET-UHFFFAOYSA-N 1 2 343.496 3.704 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000268013020 1140867214 /nfs/dbraw/zinc/86/72/14/1140867214.db2.gz HPROGEHSSHPCET-UHFFFAOYSA-N 1 2 343.496 3.704 20 0 EHADLO CC(C)CC1(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000268103050 1140883778 /nfs/dbraw/zinc/88/37/78/1140883778.db2.gz IDLIZVKYARFXRG-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000268370900 1140928626 /nfs/dbraw/zinc/92/86/26/1140928626.db2.gz KGLDHCMWJIXHRN-NVXWUHKLSA-N 1 2 343.496 3.702 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000268389212 1140931639 /nfs/dbraw/zinc/93/16/39/1140931639.db2.gz QALUPJTYTXPDKM-GRDNDAEWSA-N 1 2 331.847 3.750 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268524977 1140950936 /nfs/dbraw/zinc/95/09/36/1140950936.db2.gz VXWROJRAUNZXHP-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000268866376 1141012415 /nfs/dbraw/zinc/01/24/15/1141012415.db2.gz FNAIFNOHUJIAOM-STQMWFEESA-N 1 2 329.469 3.990 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)c1 ZINC000269180633 1141075225 /nfs/dbraw/zinc/07/52/25/1141075225.db2.gz ZPRGVBBVBWMBHT-UHFFFAOYSA-N 1 2 346.434 3.800 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000269260941 1141085497 /nfs/dbraw/zinc/08/54/97/1141085497.db2.gz BFIZOHUMKBKSAR-QGZVFWFLSA-N 1 2 338.455 3.721 20 0 EHADLO CCc1ccccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269332602 1141095031 /nfs/dbraw/zinc/09/50/31/1141095031.db2.gz SJBXTEOZDPVOPF-INIZCTEOSA-N 1 2 338.451 3.895 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1-c1ccccn1 ZINC000270036487 1141171528 /nfs/dbraw/zinc/17/15/28/1141171528.db2.gz JCFNJYFIKDSZTK-MRXNPFEDSA-N 1 2 346.434 3.800 20 0 EHADLO O=C1C[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)CN1Cc1ccccc1 ZINC000270190005 1141190130 /nfs/dbraw/zinc/19/01/30/1141190130.db2.gz BTTAGBXISLJXAP-AWEZNQCLSA-N 1 2 349.356 3.561 20 0 EHADLO O=C(CCn1cc[nH+]c1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000270828037 1141275540 /nfs/dbraw/zinc/27/55/40/1141275540.db2.gz FWDFESPZRQLCPJ-UHFFFAOYSA-N 1 2 333.382 3.527 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)c1cscn1)C(=O)N1CCc2sccc2C1 ZINC000271061012 1141302791 /nfs/dbraw/zinc/30/27/91/1141302791.db2.gz CAYWSGXCXGITMS-OCCSQVGLSA-N 1 2 349.525 3.609 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1OC(F)F ZINC000271143811 1141313601 /nfs/dbraw/zinc/31/36/01/1141313601.db2.gz OXHUCXVCHCAQIN-JTQLQIEISA-N 1 2 328.384 3.994 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2cscn2)ccc1OCC(F)(F)F ZINC000271143857 1141314077 /nfs/dbraw/zinc/31/40/77/1141314077.db2.gz OXXZTLZDBCGQHG-SNVBAGLBSA-N 1 2 346.374 3.944 20 0 EHADLO Cc1cccc([C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1C ZINC000271328674 1141346686 /nfs/dbraw/zinc/34/66/86/1141346686.db2.gz QUKRQYFSJOOSCM-HXUWFJFHSA-N 1 2 346.434 3.861 20 0 EHADLO CCC[C@](C)(CC)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274573569 1141364992 /nfs/dbraw/zinc/36/49/92/1141364992.db2.gz UCCPEPQRAKAQPZ-HNNXBMFYSA-N 1 2 334.426 3.832 20 0 EHADLO CCC[C@](C)(CC)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274573569 1141364999 /nfs/dbraw/zinc/36/49/99/1141364999.db2.gz UCCPEPQRAKAQPZ-HNNXBMFYSA-N 1 2 334.426 3.832 20 0 EHADLO CC[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000271439512 1141366539 /nfs/dbraw/zinc/36/65/39/1141366539.db2.gz GEFYCFZZFKBQMW-HOTGVXAUSA-N 1 2 349.377 3.510 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)o1 ZINC000271465682 1141374396 /nfs/dbraw/zinc/37/43/96/1141374396.db2.gz KFRLRHJQOJQVIW-UHFFFAOYSA-N 1 2 348.830 3.610 20 0 EHADLO CCc1nc2c(s1)[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)CCC2 ZINC000271485317 1141379463 /nfs/dbraw/zinc/37/94/63/1141379463.db2.gz NZCCELJQLWMGSQ-TZMCWYRMSA-N 1 2 338.423 3.684 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(C(C)(C)C)o2)cc(OC)c1OC ZINC000271643580 1141411910 /nfs/dbraw/zinc/41/19/10/1141411910.db2.gz CYIATQIUWMXYCT-GFCCVEGCSA-N 1 2 348.443 3.849 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000274286501 1141493489 /nfs/dbraw/zinc/49/34/89/1141493489.db2.gz ZJXDJEQHTVXBBP-GHMZBOCLSA-N 1 2 345.447 3.892 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000274304124 1141495346 /nfs/dbraw/zinc/49/53/46/1141495346.db2.gz RMGAMPABLCOXKN-INIZCTEOSA-N 1 2 338.455 3.700 20 0 EHADLO COc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OC(F)F ZINC000339118390 1141502264 /nfs/dbraw/zinc/50/22/64/1141502264.db2.gz MSHWVGHDNBWTCV-UHFFFAOYSA-N 1 2 347.321 3.505 20 0 EHADLO CC(C)OCCOCc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000339139005 1141506820 /nfs/dbraw/zinc/50/68/20/1141506820.db2.gz AQGBQPYYNKGMSF-UHFFFAOYSA-N 1 2 326.400 3.643 20 0 EHADLO CCOc1ccccc1N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339171475 1141517418 /nfs/dbraw/zinc/51/74/18/1141517418.db2.gz IIXGLJRDEXJJPA-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO CCn1nc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)c2ccccc21 ZINC000274477696 1141540513 /nfs/dbraw/zinc/54/05/13/1141540513.db2.gz WZRAFUJIQOMVGH-GOSISDBHSA-N 1 2 345.393 3.812 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000348813642 1141585441 /nfs/dbraw/zinc/58/54/41/1141585441.db2.gz XEWKFTUGHMPLKE-HNNXBMFYSA-N 1 2 343.818 3.759 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000348813642 1141585445 /nfs/dbraw/zinc/58/54/45/1141585445.db2.gz XEWKFTUGHMPLKE-HNNXBMFYSA-N 1 2 343.818 3.759 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)ccc2n1 ZINC000348833503 1141591493 /nfs/dbraw/zinc/59/14/93/1141591493.db2.gz PJVKESCESQGVTI-QGZVFWFLSA-N 1 2 342.830 3.538 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)c1cc(C)[nH]c1C)CCC2 ZINC000349025278 1141624269 /nfs/dbraw/zinc/62/42/69/1141624269.db2.gz GQZFWLFMWFUEQU-HNNXBMFYSA-N 1 2 331.485 3.843 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)c1cc(C)[nH]c1C)CCC2 ZINC000349025278 1141624270 /nfs/dbraw/zinc/62/42/70/1141624270.db2.gz GQZFWLFMWFUEQU-HNNXBMFYSA-N 1 2 331.485 3.843 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C ZINC000225398275 241841366 /nfs/dbraw/zinc/84/13/66/241841366.db2.gz UOXOTXYDTHHZFR-WFASDCNBSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C ZINC000225398275 241841370 /nfs/dbraw/zinc/84/13/70/241841370.db2.gz UOXOTXYDTHHZFR-WFASDCNBSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045960307 135604269 /nfs/dbraw/zinc/60/42/69/135604269.db2.gz BEYOARVJCVDJER-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO CCOC(=O)c1cccc(CNc2[nH+]c3ccccc3n2C2CC2)n1 ZINC000601066804 478638422 /nfs/dbraw/zinc/63/84/22/478638422.db2.gz QTNCIOYJEBNARA-UHFFFAOYSA-N 1 2 336.395 3.555 20 0 EHADLO CNc1snc(C)c1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000363380947 522731552 /nfs/dbraw/zinc/73/15/52/522731552.db2.gz VIVUDDXTWWOFNK-UHFFFAOYSA-N 1 2 341.440 3.752 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000833347496 600821755 /nfs/dbraw/zinc/82/17/55/600821755.db2.gz HVMXBBDTXNLJMP-UHFFFAOYSA-N 1 2 341.436 3.702 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1Cl ZINC000820425683 607484924 /nfs/dbraw/zinc/48/49/24/607484924.db2.gz AKYIPMSBQBNODU-SECBINFHSA-N 1 2 349.772 3.649 20 0 EHADLO CC[N@H+](C/C(Cl)=C\Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169703 606100654 /nfs/dbraw/zinc/10/06/54/606100654.db2.gz BCMVAKIYHKMIGW-XNFYSYIQSA-N 1 2 326.231 3.569 20 0 EHADLO CC[N@@H+](C/C(Cl)=C\Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169703 606100657 /nfs/dbraw/zinc/10/06/57/606100657.db2.gz BCMVAKIYHKMIGW-XNFYSYIQSA-N 1 2 326.231 3.569 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153249006 1125459768 /nfs/dbraw/zinc/45/97/68/1125459768.db2.gz LDYMXDDSBKSZOK-SJLPKXTDSA-N 1 2 334.508 3.936 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536651025 1032065923 /nfs/dbraw/zinc/06/59/23/1032065923.db2.gz FOTGETCIPDQNSI-HOTGVXAUSA-N 1 2 326.444 3.602 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658696 1032070867 /nfs/dbraw/zinc/07/08/67/1032070867.db2.gz RNQUNJVSDGSANL-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000536658696 1032070884 /nfs/dbraw/zinc/07/08/84/1032070884.db2.gz RNQUNJVSDGSANL-VLIAUNLRSA-N 1 2 345.414 3.805 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000620149027 1125485604 /nfs/dbraw/zinc/48/56/04/1125485604.db2.gz UIYMNGAFOSVXAS-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000620149027 1125485607 /nfs/dbraw/zinc/48/56/07/1125485607.db2.gz UIYMNGAFOSVXAS-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C(F)F)n1 ZINC000274509641 1014158489 /nfs/dbraw/zinc/15/84/89/1014158489.db2.gz UXYFUJIYUKJTAH-UHFFFAOYSA-N 1 2 347.365 3.859 20 0 EHADLO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C(F)F)n1 ZINC000274509641 1014158494 /nfs/dbraw/zinc/15/84/94/1014158494.db2.gz UXYFUJIYUKJTAH-UHFFFAOYSA-N 1 2 347.365 3.859 20 0 EHADLO c1cc(CN2CCOCC2)[nH+]c(NCc2ccc(C3CCC3)cc2)c1 ZINC000339333334 1014231435 /nfs/dbraw/zinc/23/14/35/1014231435.db2.gz UPJUJBDXWKLVRP-UHFFFAOYSA-N 1 2 337.467 3.793 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)no1 ZINC000186693359 1014307837 /nfs/dbraw/zinc/30/78/37/1014307837.db2.gz OYDXLKQBFKGJND-OAQYLSRUSA-N 1 2 347.418 3.676 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)no1 ZINC000186693359 1014307850 /nfs/dbraw/zinc/30/78/50/1014307850.db2.gz OYDXLKQBFKGJND-OAQYLSRUSA-N 1 2 347.418 3.676 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000547630445 1014473911 /nfs/dbraw/zinc/47/39/11/1014473911.db2.gz YGHMPFACLSTSTJ-GUYCJALGSA-N 1 2 346.862 3.548 20 0 EHADLO C/C(=C\c1ccccc1)CN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000683148947 1014528936 /nfs/dbraw/zinc/52/89/36/1014528936.db2.gz KBHKCUAKQNVXDI-NBVRZTHBSA-N 1 2 349.478 3.747 20 0 EHADLO CCc1ccccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497994 1032095412 /nfs/dbraw/zinc/09/54/12/1032095412.db2.gz UQGPHKDDKWQEFB-UHFFFAOYSA-N 1 2 349.434 3.798 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@H](C)C(C)C ZINC000182416947 1032096161 /nfs/dbraw/zinc/09/61/61/1032096161.db2.gz GYTUGUNBEWNCFD-CQSZACIVSA-N 1 2 346.500 3.965 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@H](C)C(C)C ZINC000182416947 1032096172 /nfs/dbraw/zinc/09/61/72/1032096172.db2.gz GYTUGUNBEWNCFD-CQSZACIVSA-N 1 2 346.500 3.965 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]cc1-c1ccccc1 ZINC000045078092 1014916635 /nfs/dbraw/zinc/91/66/35/1014916635.db2.gz HEBMGQDPMSFWGD-UHFFFAOYSA-N 1 2 346.434 3.607 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728197612 1014946222 /nfs/dbraw/zinc/94/62/22/1014946222.db2.gz FRXCNIOHZGXITD-PXNSSMCTSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728197612 1014946239 /nfs/dbraw/zinc/94/62/39/1014946239.db2.gz FRXCNIOHZGXITD-PXNSSMCTSA-N 1 2 335.451 3.501 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000634580394 1015008359 /nfs/dbraw/zinc/00/83/59/1015008359.db2.gz DNZJNPRPHIBQIK-KPZWWZAWSA-N 1 2 346.377 3.656 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1OC ZINC000274768615 1015047264 /nfs/dbraw/zinc/04/72/64/1015047264.db2.gz ICHVGMAJDUNPIU-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339581720 1015065142 /nfs/dbraw/zinc/06/51/42/1015065142.db2.gz WVGAUFJYJPFELH-ATVHPVEESA-N 1 2 348.450 3.607 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000510103653 1015106270 /nfs/dbraw/zinc/10/62/70/1015106270.db2.gz RQYKLZBCTKYXGD-KRWDZBQOSA-N 1 2 334.529 3.999 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4ccc(F)cc4[C@@H](C)C3)ccn12 ZINC000655166446 1015188133 /nfs/dbraw/zinc/18/81/33/1015188133.db2.gz BCWOEZOSLFDHST-ZDUSSCGKSA-N 1 2 337.398 3.584 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccc(Br)cc1 ZINC000471182848 1015336014 /nfs/dbraw/zinc/33/60/14/1015336014.db2.gz ULYHLYHUDFTOAO-INIZCTEOSA-N 1 2 345.240 3.835 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1ccc(Br)cc1 ZINC000471182848 1015336022 /nfs/dbraw/zinc/33/60/22/1015336022.db2.gz ULYHLYHUDFTOAO-INIZCTEOSA-N 1 2 345.240 3.835 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cc2ccccc2o1 ZINC000182639649 1032115568 /nfs/dbraw/zinc/11/55/68/1032115568.db2.gz MLSFTHZWKBNMGL-CYBMUJFWSA-N 1 2 333.391 3.531 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)CCC(F)(F)F)n2)cc1 ZINC000153488231 1125503786 /nfs/dbraw/zinc/50/37/86/1125503786.db2.gz QMWGGKMPZAFULT-SNVBAGLBSA-N 1 2 329.322 3.690 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCC(F)(F)F)n2)cc1 ZINC000153488231 1125503791 /nfs/dbraw/zinc/50/37/91/1125503791.db2.gz QMWGGKMPZAFULT-SNVBAGLBSA-N 1 2 329.322 3.690 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000339631828 1015431008 /nfs/dbraw/zinc/43/10/08/1015431008.db2.gz XTXPUJAQZKWRDJ-CABCVRRESA-N 1 2 342.443 3.619 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000179533040 1015435565 /nfs/dbraw/zinc/43/55/65/1015435565.db2.gz ZKFOTJSAVXNMPG-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000179533040 1015435571 /nfs/dbraw/zinc/43/55/71/1015435571.db2.gz ZKFOTJSAVXNMPG-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1F ZINC000274846979 1015481551 /nfs/dbraw/zinc/48/15/51/1015481551.db2.gz GNWOSGDUYYDDJB-GFCCVEGCSA-N 1 2 349.837 3.886 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cccc(F)c2o1 ZINC000683254876 1015537536 /nfs/dbraw/zinc/53/75/36/1015537536.db2.gz ZCJPTYUFZGDSOA-UHFFFAOYSA-N 1 2 343.402 3.883 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccco1 ZINC000179670268 1015537742 /nfs/dbraw/zinc/53/77/42/1015537742.db2.gz DEHFFIBGRKKIIA-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccco1 ZINC000179670268 1015537749 /nfs/dbraw/zinc/53/77/49/1015537749.db2.gz DEHFFIBGRKKIIA-UHFFFAOYSA-N 1 2 346.228 3.860 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC23CCC3)cc(Br)c1OC ZINC000536677796 1032120682 /nfs/dbraw/zinc/12/06/82/1032120682.db2.gz KIXNRPBAJNWWQL-UHFFFAOYSA-N 1 2 340.261 3.985 20 0 EHADLO CCOc1cc(C[N@H+]2CCC23CCC3)cc(Br)c1OC ZINC000536677796 1032120686 /nfs/dbraw/zinc/12/06/86/1032120686.db2.gz KIXNRPBAJNWWQL-UHFFFAOYSA-N 1 2 340.261 3.985 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(Cl)cn2)c(OC)c1 ZINC000274916456 1015638841 /nfs/dbraw/zinc/63/88/41/1015638841.db2.gz OGRHXDHBRGRPOD-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825285 1015701695 /nfs/dbraw/zinc/70/16/95/1015701695.db2.gz ZQUBUFMXXPKLFZ-MLGOLLRUSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825285 1015701700 /nfs/dbraw/zinc/70/17/00/1015701700.db2.gz ZQUBUFMXXPKLFZ-MLGOLLRUSA-N 1 2 342.842 3.553 20 0 EHADLO Fc1ccc(Cc2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000904587402 1032125126 /nfs/dbraw/zinc/12/51/26/1032125126.db2.gz KUFDKZXALUAZDD-UHFFFAOYSA-N 1 2 334.354 3.576 20 0 EHADLO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000179933632 1015761176 /nfs/dbraw/zinc/76/11/76/1015761176.db2.gz ZUUCFAVJQMTMLT-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339877441 1015803178 /nfs/dbraw/zinc/80/31/78/1015803178.db2.gz FCMUWSDBIKIKKN-MRXNPFEDSA-N 1 2 331.375 3.571 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Cl)cs1 ZINC000076584033 1015852250 /nfs/dbraw/zinc/85/22/50/1015852250.db2.gz CXBPVWQSUCGYEG-AWEZNQCLSA-N 1 2 339.892 3.762 20 0 EHADLO Cc1c(C(=O)N(C)CCCn2cc[nH+]c2)sc2cccc(F)c12 ZINC000154982030 1016022928 /nfs/dbraw/zinc/02/29/28/1016022928.db2.gz LGZHMKKTKDMZQG-UHFFFAOYSA-N 1 2 331.416 3.708 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c(F)c1 ZINC000547766089 1016028730 /nfs/dbraw/zinc/02/87/30/1016028730.db2.gz PNCLEKNRZHXIQU-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c(F)c1 ZINC000547766089 1016028736 /nfs/dbraw/zinc/02/87/36/1016028736.db2.gz PNCLEKNRZHXIQU-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155014857 1016057079 /nfs/dbraw/zinc/05/70/79/1016057079.db2.gz CPDAMZSTIXGCSH-UHFFFAOYSA-N 1 2 331.416 3.708 20 0 EHADLO O=C(Cc1ccccc1OC(F)F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000118203255 1032137620 /nfs/dbraw/zinc/13/76/20/1032137620.db2.gz YLLQHVAZPACPCO-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)cs1 ZINC000547769219 1016084537 /nfs/dbraw/zinc/08/45/37/1016084537.db2.gz NRILZOYUKJSXCD-KBPBESRZSA-N 1 2 329.469 3.615 20 0 EHADLO O=C(Cc1ccccc1OC(F)F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118211803 1032139354 /nfs/dbraw/zinc/13/93/54/1032139354.db2.gz WXXVDQUTGPGFES-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001594183381 998707906 /nfs/dbraw/zinc/70/79/06/998707906.db2.gz SRMRSKXRDCFFLG-BHIYHBOVSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001594183381 998707910 /nfs/dbraw/zinc/70/79/10/998707910.db2.gz SRMRSKXRDCFFLG-BHIYHBOVSA-N 1 2 344.499 3.520 20 0 EHADLO CC[C@H](CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC001126992666 1032145135 /nfs/dbraw/zinc/14/51/35/1032145135.db2.gz OKYXWWGWVBTOBS-OAHLLOKOSA-N 1 2 333.476 3.628 20 0 EHADLO Cc1cc(N2CCO[C@@](C)(c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC001167139589 1016282218 /nfs/dbraw/zinc/28/22/18/1016282218.db2.gz DVVFCXKVQFKEDJ-LJQANCHMSA-N 1 2 329.419 3.800 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762660 1016448665 /nfs/dbraw/zinc/44/86/65/1016448665.db2.gz BUOOVTLCFKGXEK-IRXDYDNUSA-N 1 2 341.455 3.825 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762660 1016448671 /nfs/dbraw/zinc/44/86/71/1016448671.db2.gz BUOOVTLCFKGXEK-IRXDYDNUSA-N 1 2 341.455 3.825 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275362143 1016563295 /nfs/dbraw/zinc/56/32/95/1016563295.db2.gz WMQSJFXYYVQGQO-KBXCAEBGSA-N 1 2 342.443 3.585 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)F ZINC000025944484 1016643600 /nfs/dbraw/zinc/64/36/00/1016643600.db2.gz NRKNTWWMSKGHQQ-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1OC(F)F ZINC000025944484 1016643609 /nfs/dbraw/zinc/64/36/09/1016643609.db2.gz NRKNTWWMSKGHQQ-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1cccc(C)c1OCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340194148 1016666637 /nfs/dbraw/zinc/66/66/37/1016666637.db2.gz DDGFYLQHHQMGBF-MRXNPFEDSA-N 1 2 342.468 3.631 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000178483000 1016697455 /nfs/dbraw/zinc/69/74/55/1016697455.db2.gz AKGKVLYNJMMBPY-SFHVURJKSA-N 1 2 337.398 3.572 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000178483000 1016697456 /nfs/dbraw/zinc/69/74/56/1016697456.db2.gz AKGKVLYNJMMBPY-SFHVURJKSA-N 1 2 337.398 3.572 20 0 EHADLO CC(=O)Nc1ccccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001167235694 1016710853 /nfs/dbraw/zinc/71/08/53/1016710853.db2.gz VLRAEINAASPKLD-INIZCTEOSA-N 1 2 348.406 3.529 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)s1 ZINC000349189522 1016740575 /nfs/dbraw/zinc/74/05/75/1016740575.db2.gz LVSMSBUNKODQKH-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO CC[C@](C)([NH2+]Cc1ccncc1Br)c1nccs1 ZINC000625256975 1016771982 /nfs/dbraw/zinc/77/19/82/1016771982.db2.gz WYEXONLRBUNFII-ZDUSSCGKSA-N 1 2 326.263 3.716 20 0 EHADLO CS[C@H](C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000340243608 1016772638 /nfs/dbraw/zinc/77/26/38/1016772638.db2.gz HSJGGUJHEOQDCX-CYBMUJFWSA-N 1 2 344.484 3.759 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841207 1016795097 /nfs/dbraw/zinc/79/50/97/1016795097.db2.gz ROLPHPFKSFFJNH-HRCADAONSA-N 1 2 339.483 3.704 20 0 EHADLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841207 1016795107 /nfs/dbraw/zinc/79/51/07/1016795107.db2.gz ROLPHPFKSFFJNH-HRCADAONSA-N 1 2 339.483 3.704 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000275446325 1016798009 /nfs/dbraw/zinc/79/80/09/1016798009.db2.gz LCNRJIYEDOXYME-GFCCVEGCSA-N 1 2 336.823 3.534 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1c1ccccc1 ZINC000430406070 1016812220 /nfs/dbraw/zinc/81/22/20/1016812220.db2.gz UMFOVFNEKVUEFU-PNHOKKKMSA-N 1 2 349.409 3.677 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000892695170 1016829205 /nfs/dbraw/zinc/82/92/05/1016829205.db2.gz HOKVDMZYXONDOT-ZBFHGGJFSA-N 1 2 335.448 3.811 20 0 EHADLO COc1cncc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC000625259045 1016841736 /nfs/dbraw/zinc/84/17/36/1016841736.db2.gz DHJMLOXAELVQNR-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO COc1cncc(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC000625259045 1016841747 /nfs/dbraw/zinc/84/17/47/1016841747.db2.gz DHJMLOXAELVQNR-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO Fc1ccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)c(Cl)c1 ZINC000340294757 1016888383 /nfs/dbraw/zinc/88/83/83/1016888383.db2.gz GIRLFASROBUNGE-CQSZACIVSA-N 1 2 336.823 3.580 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121179091 1016911950 /nfs/dbraw/zinc/91/19/50/1016911950.db2.gz KYSWGYHTAQIQPG-SFHVURJKSA-N 1 2 336.414 3.990 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121179091 1016911966 /nfs/dbraw/zinc/91/19/66/1016911966.db2.gz KYSWGYHTAQIQPG-SFHVURJKSA-N 1 2 336.414 3.990 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589989131 1016979770 /nfs/dbraw/zinc/97/97/70/1016979770.db2.gz YVKDKYSRIXZTDS-UHFFFAOYSA-N 1 2 348.855 3.507 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(Br)c2)c(C)n1C ZINC000050150803 1017003076 /nfs/dbraw/zinc/00/30/76/1017003076.db2.gz CUWPBWKEVWPCBZ-UHFFFAOYSA-N 1 2 349.272 3.719 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(Br)c2)c(C)n1C ZINC000050150803 1017003093 /nfs/dbraw/zinc/00/30/93/1017003093.db2.gz CUWPBWKEVWPCBZ-UHFFFAOYSA-N 1 2 349.272 3.719 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1c(Cl)cccc1OC)CCO2 ZINC000323363001 1017042487 /nfs/dbraw/zinc/04/24/87/1017042487.db2.gz LHJGRIYIPRTUBJ-MRXNPFEDSA-N 1 2 333.815 3.971 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1nccn1CC(C)C ZINC000459478275 1032171068 /nfs/dbraw/zinc/17/10/68/1032171068.db2.gz MVXXOCPABIFSMH-UHFFFAOYSA-N 1 2 343.500 3.724 20 0 EHADLO Cc1cc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)no1 ZINC000449095777 1032175294 /nfs/dbraw/zinc/17/52/94/1032175294.db2.gz AYGIWGHBKHVXNH-ZDUSSCGKSA-N 1 2 325.181 3.662 20 0 EHADLO CCC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000528366044 1032192034 /nfs/dbraw/zinc/19/20/34/1032192034.db2.gz OTWYJIYENVZIJK-QGZVFWFLSA-N 1 2 333.453 3.583 20 0 EHADLO CCC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000528366044 1032192045 /nfs/dbraw/zinc/19/20/45/1032192045.db2.gz OTWYJIYENVZIJK-QGZVFWFLSA-N 1 2 333.453 3.583 20 0 EHADLO CC[C@H]1C[N@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@H]1c1ccccc1 ZINC000528391440 1032215476 /nfs/dbraw/zinc/21/54/76/1032215476.db2.gz AFUWCWSAMXPJPM-FUHWJXTLSA-N 1 2 347.480 3.699 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@H]1c1ccccc1 ZINC000528391440 1032215482 /nfs/dbraw/zinc/21/54/82/1032215482.db2.gz AFUWCWSAMXPJPM-FUHWJXTLSA-N 1 2 347.480 3.699 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528389363 1032213608 /nfs/dbraw/zinc/21/36/08/1032213608.db2.gz SMEWEBXOQAYOHP-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528389363 1032213628 /nfs/dbraw/zinc/21/36/28/1032213628.db2.gz SMEWEBXOQAYOHP-CQSZACIVSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@]3(C)CCCc4ccccc43)[nH+]c12 ZINC000538223040 1032222321 /nfs/dbraw/zinc/22/23/21/1032222321.db2.gz SEBDJIFMPFAWAM-QFIPXVFZSA-N 1 2 347.462 3.596 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cn2c1 ZINC000449131879 1032224474 /nfs/dbraw/zinc/22/44/74/1032224474.db2.gz QBWKYCQMRIUAJD-CQSZACIVSA-N 1 2 331.341 3.837 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(-c2ccccc2F)n(C)c1=S)C1(C)CC1 ZINC000176829521 1032226501 /nfs/dbraw/zinc/22/65/01/1032226501.db2.gz RDRJUQLUIXMHHP-GFCCVEGCSA-N 1 2 334.464 3.835 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccccc2F)n(C)c1=S)C1(C)CC1 ZINC000176829521 1032226516 /nfs/dbraw/zinc/22/65/16/1032226516.db2.gz RDRJUQLUIXMHHP-GFCCVEGCSA-N 1 2 334.464 3.835 20 0 EHADLO CC[N@H+](Cc1ccc(C(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183923866 1032242445 /nfs/dbraw/zinc/24/24/45/1032242445.db2.gz LTRRIASHDUABPQ-UHFFFAOYSA-N 1 2 343.377 3.883 20 0 EHADLO CC[N@@H+](Cc1ccc(C(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183923866 1032242456 /nfs/dbraw/zinc/24/24/56/1032242456.db2.gz LTRRIASHDUABPQ-UHFFFAOYSA-N 1 2 343.377 3.883 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nc(C3CCCCC3)no2)[C@H]1SC ZINC000459524537 1032243766 /nfs/dbraw/zinc/24/37/66/1032243766.db2.gz NQZOELNJWYHIEE-SPWCGHHHSA-N 1 2 339.505 3.677 20 0 EHADLO Cc1ccc2sc(CN3CCN(c4cc(C)cc[nH+]4)CC3)nc2c1 ZINC000528410056 1032248235 /nfs/dbraw/zinc/24/82/35/1032248235.db2.gz ZRSNVJWYBGPQNV-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)co1 ZINC000528409657 1032250541 /nfs/dbraw/zinc/25/05/41/1032250541.db2.gz XMIQROWYJGAXCF-SFHVURJKSA-N 1 2 347.480 3.670 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)co1 ZINC000528409657 1032250554 /nfs/dbraw/zinc/25/05/54/1032250554.db2.gz XMIQROWYJGAXCF-SFHVURJKSA-N 1 2 347.480 3.670 20 0 EHADLO COc1ccc([C@H](OC)[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000536767667 1032260057 /nfs/dbraw/zinc/26/00/57/1032260057.db2.gz LZAKJZACEKBRKW-KBXCAEBGSA-N 1 2 329.444 3.527 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000184180842 1032261897 /nfs/dbraw/zinc/26/18/97/1032261897.db2.gz XXYNSSABFBEPLT-WCQYABFASA-N 1 2 335.860 3.561 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000568752564 1032269435 /nfs/dbraw/zinc/26/94/35/1032269435.db2.gz RDUQOGRCUNKCKP-YJBOKZPZSA-N 1 2 343.858 3.853 20 0 EHADLO CCOc1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)ccc1O ZINC000459558532 1032276411 /nfs/dbraw/zinc/27/64/11/1032276411.db2.gz NZJNYUIBKKHLPL-UHFFFAOYSA-N 1 2 344.333 3.823 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc(Cl)c1O ZINC000459567671 1032292842 /nfs/dbraw/zinc/29/28/42/1032292842.db2.gz VGTITQBIKACCMP-WMLDXEAASA-N 1 2 339.863 3.834 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc(Cl)c1O ZINC000459567671 1032292850 /nfs/dbraw/zinc/29/28/50/1032292850.db2.gz VGTITQBIKACCMP-WMLDXEAASA-N 1 2 339.863 3.834 20 0 EHADLO CC(C)([NH2+]Cc1coc(S(C)(=O)=O)c1)c1cccc(Cl)c1F ZINC000528451931 1032322287 /nfs/dbraw/zinc/32/22/87/1032322287.db2.gz NTJDCHYQCCJAQS-UHFFFAOYSA-N 1 2 345.823 3.501 20 0 EHADLO COc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1OC ZINC000184783063 1032334748 /nfs/dbraw/zinc/33/47/48/1032334748.db2.gz DOWNIWCDRLMORC-UHFFFAOYSA-N 1 2 337.423 3.678 20 0 EHADLO COc1cc2ccccc2cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000449227634 1032344432 /nfs/dbraw/zinc/34/44/32/1032344432.db2.gz PYIFVQPZAXKMHY-UHFFFAOYSA-N 1 2 347.462 3.561 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449255256 1032361945 /nfs/dbraw/zinc/36/19/45/1032361945.db2.gz BYWJFOQWDVBGHQ-GFCCVEGCSA-N 1 2 349.475 3.684 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449255256 1032361953 /nfs/dbraw/zinc/36/19/53/1032361953.db2.gz BYWJFOQWDVBGHQ-GFCCVEGCSA-N 1 2 349.475 3.684 20 0 EHADLO COCCC1(C)C[NH+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000459642786 1032363750 /nfs/dbraw/zinc/36/37/50/1032363750.db2.gz ZRXFOUYECLMSLT-UHFFFAOYSA-N 1 2 332.669 3.961 20 0 EHADLO Clc1cc(C[NH+]2CCC(Cn3cncn3)CC2)c(Cl)s1 ZINC000449257743 1032367944 /nfs/dbraw/zinc/36/79/44/1032367944.db2.gz JWVWTSPSCMRCTD-UHFFFAOYSA-N 1 2 331.272 3.559 20 0 EHADLO Clc1cccnc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528484566 1032374768 /nfs/dbraw/zinc/37/47/68/1032374768.db2.gz JWPOXCYCFBHDFU-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO CC[C@](O)(C[NH2+][C@H](c1ccco1)c1ccccc1OC)C(F)(F)F ZINC000905259355 1032394709 /nfs/dbraw/zinc/39/47/09/1032394709.db2.gz DSTKAEKJWWIYLL-HOTGVXAUSA-N 1 2 343.345 3.671 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nnc(C(C)(C)C)[nH]3)s2)cc1 ZINC000459681252 1032410772 /nfs/dbraw/zinc/41/07/72/1032410772.db2.gz RDHKEUMLFHYELQ-UHFFFAOYSA-N 1 2 341.484 3.824 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)c(OC)n1 ZINC000449336152 1032472960 /nfs/dbraw/zinc/47/29/60/1032472960.db2.gz MVNLXLKBYCVTDZ-UHFFFAOYSA-N 1 2 333.240 3.757 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1cccs1 ZINC000459796737 1032479453 /nfs/dbraw/zinc/47/94/53/1032479453.db2.gz QMEZOORUBSNEDA-HOCLYGCPSA-N 1 2 346.521 3.587 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c(C)n1Cc1cccs1 ZINC000459796737 1032479459 /nfs/dbraw/zinc/47/94/59/1032479459.db2.gz QMEZOORUBSNEDA-HOCLYGCPSA-N 1 2 346.521 3.587 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802186 1032480621 /nfs/dbraw/zinc/48/06/21/1032480621.db2.gz YMHVTKLBAJNMIL-HUUCEWRRSA-N 1 2 328.460 3.530 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000087121242 1032497234 /nfs/dbraw/zinc/49/72/34/1032497234.db2.gz YPSWOPDINRBJCF-SNVBAGLBSA-N 1 2 346.283 3.779 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[nH]1 ZINC000449404485 1032527015 /nfs/dbraw/zinc/52/70/15/1032527015.db2.gz CDURJUSRITZNKR-UHFFFAOYSA-N 1 2 338.459 3.527 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000449418037 1032551903 /nfs/dbraw/zinc/55/19/03/1032551903.db2.gz BBLHFCLSCRVVLZ-ROUUACIJSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000449418037 1032551907 /nfs/dbraw/zinc/55/19/07/1032551907.db2.gz BBLHFCLSCRVVLZ-ROUUACIJSA-N 1 2 337.797 3.779 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000537231649 1032571431 /nfs/dbraw/zinc/57/14/31/1032571431.db2.gz WDUTVFDNLXPUBU-UHFFFAOYSA-N 1 2 333.435 3.905 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CCC(F)CC3)cn2c1 ZINC000592897718 1032607418 /nfs/dbraw/zinc/60/74/18/1032607418.db2.gz ITAXRWIVVFELOB-UHFFFAOYSA-N 1 2 349.475 3.520 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1Br)[C@@H](C)C2 ZINC000449482787 1032626287 /nfs/dbraw/zinc/62/62/87/1032626287.db2.gz DAMGAXHOXUNCRM-MEDUHNTESA-N 1 2 334.261 3.514 20 0 EHADLO CSCc1cccc(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602138905 1032666512 /nfs/dbraw/zinc/66/65/12/1032666512.db2.gz FGKBHRCMDGOJNF-QGZVFWFLSA-N 1 2 331.485 3.650 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000188494323 1017189723 /nfs/dbraw/zinc/18/97/23/1017189723.db2.gz ARWRYVZFEDPDBC-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1nc2ccc(Cl)cc2n1C ZINC000091309028 1032684961 /nfs/dbraw/zinc/68/49/61/1032684961.db2.gz TWOLKIJLGLHVOY-JTQLQIEISA-N 1 2 345.859 3.787 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000683456486 1017225326 /nfs/dbraw/zinc/22/53/26/1017225326.db2.gz CZHAOZAPACYOLD-LJQANCHMSA-N 1 2 331.419 3.842 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCCn1cc[nH+]c1 ZINC000683458983 1017228123 /nfs/dbraw/zinc/22/81/23/1017228123.db2.gz GEQXZFRMDGRATK-OAHLLOKOSA-N 1 2 339.361 3.782 20 0 EHADLO CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000188738883 1017268905 /nfs/dbraw/zinc/26/89/05/1017268905.db2.gz AMAVXEAPMBUWPM-AWEZNQCLSA-N 1 2 325.412 3.709 20 0 EHADLO C(=C\c1ccccc1)\C[NH+]1CCN(CCOCc2ccccc2)CC1 ZINC000659833750 1017294549 /nfs/dbraw/zinc/29/45/49/1017294549.db2.gz MACNBEALXIIZIM-GHXNOFRVSA-N 1 2 336.479 3.534 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625286252 1017313037 /nfs/dbraw/zinc/31/30/37/1017313037.db2.gz ZDBMMEMGFUESKP-CQSZACIVSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccncc1Br ZINC000625286252 1017313050 /nfs/dbraw/zinc/31/30/50/1017313050.db2.gz ZDBMMEMGFUESKP-CQSZACIVSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606450416 1032690547 /nfs/dbraw/zinc/69/05/47/1032690547.db2.gz ZFGYCIDXJQPHJD-OAHLLOKOSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606450416 1032690558 /nfs/dbraw/zinc/69/05/58/1032690558.db2.gz ZFGYCIDXJQPHJD-OAHLLOKOSA-N 1 2 330.447 3.752 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c(OC)c1 ZINC000378865893 1017327887 /nfs/dbraw/zinc/32/78/87/1017327887.db2.gz AJYIESVANDNSAA-HNNXBMFYSA-N 1 2 337.423 3.740 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135617113 1017332867 /nfs/dbraw/zinc/33/28/67/1017332867.db2.gz LUMKCZUTAYKAFS-INIZCTEOSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135617113 1017332877 /nfs/dbraw/zinc/33/28/77/1017332877.db2.gz LUMKCZUTAYKAFS-INIZCTEOSA-N 1 2 342.468 3.954 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1Cc2cccc(Cl)c2C1 ZINC000377111673 1017338684 /nfs/dbraw/zinc/33/86/84/1017338684.db2.gz MJEAVTAFGGQPBK-UHFFFAOYSA-N 1 2 337.810 3.741 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000606449928 1032691907 /nfs/dbraw/zinc/69/19/07/1032691907.db2.gz JTVDJCNRBNGTFZ-CQSZACIVSA-N 1 2 338.426 3.872 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000606449928 1032691911 /nfs/dbraw/zinc/69/19/11/1032691911.db2.gz JTVDJCNRBNGTFZ-CQSZACIVSA-N 1 2 338.426 3.872 20 0 EHADLO CC[C@@H](CN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000613641915 1017375114 /nfs/dbraw/zinc/37/51/14/1017375114.db2.gz SJXCYJZTJNZMSZ-CGTJXYLNSA-N 1 2 325.456 3.566 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)c(C)c1 ZINC000574088376 1032698083 /nfs/dbraw/zinc/69/80/83/1032698083.db2.gz ZOEFOMNILBPBSM-HNNXBMFYSA-N 1 2 327.428 3.956 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)nn1 ZINC000377298823 1017602816 /nfs/dbraw/zinc/60/28/16/1017602816.db2.gz WWAGTDKQDBGCSK-RTWAWAEBSA-N 1 2 348.450 3.586 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000892864863 1017608748 /nfs/dbraw/zinc/60/87/48/1017608748.db2.gz AONPXZMINFTSCC-UHFFFAOYSA-N 1 2 329.366 3.934 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC2(C)CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000537410217 1032711920 /nfs/dbraw/zinc/71/19/20/1032711920.db2.gz CVQZVVLNXQFJHC-IAGOWNOFSA-N 1 2 332.492 3.836 20 0 EHADLO CC(C)C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000655796937 1017635464 /nfs/dbraw/zinc/63/54/64/1017635464.db2.gz KSUWODOKFGKXLL-CVEARBPZSA-N 1 2 332.423 3.672 20 0 EHADLO Cc1nc(N2CCC(OCc3ccc(F)cc3)CC2)c(C)c(C)[nH+]1 ZINC000091668650 1032715003 /nfs/dbraw/zinc/71/50/03/1032715003.db2.gz GXJHWBCUMRNKDH-UHFFFAOYSA-N 1 2 329.419 3.727 20 0 EHADLO Cc1cc(N2CCC(OCc3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000091668461 1032714919 /nfs/dbraw/zinc/71/49/19/1032714919.db2.gz IVPXHDFEPXBLMI-UHFFFAOYSA-N 1 2 341.430 3.987 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000377397662 1017740577 /nfs/dbraw/zinc/74/05/77/1017740577.db2.gz KOYYHKQTDJNHPX-GTNSWQLSSA-N 1 2 341.411 3.956 20 0 EHADLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001143495263 1017781605 /nfs/dbraw/zinc/78/16/05/1017781605.db2.gz IQUZVEKZXSZCOQ-UHFFFAOYSA-N 1 2 333.382 3.533 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccsc1C(=O)OC ZINC000892944249 1017855590 /nfs/dbraw/zinc/85/55/90/1017855590.db2.gz IEEOENXYCPCZLP-HNNXBMFYSA-N 1 2 331.437 3.711 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000177627067 1017858861 /nfs/dbraw/zinc/85/88/61/1017858861.db2.gz SQKWZWVKTZSKRD-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000177627067 1017858882 /nfs/dbraw/zinc/85/88/82/1017858882.db2.gz SQKWZWVKTZSKRD-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCCO2 ZINC000574130877 1032725381 /nfs/dbraw/zinc/72/53/81/1032725381.db2.gz BNEUJYBYCWBNLR-INIZCTEOSA-N 1 2 326.444 3.809 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000579975376 1017930230 /nfs/dbraw/zinc/93/02/30/1017930230.db2.gz QLFXKASTWDSXIS-MRXNPFEDSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000579975376 1017930240 /nfs/dbraw/zinc/93/02/40/1017930240.db2.gz QLFXKASTWDSXIS-MRXNPFEDSA-N 1 2 325.456 3.602 20 0 EHADLO CC1CCC([N@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000066792670 1017940337 /nfs/dbraw/zinc/94/03/37/1017940337.db2.gz KKFRSUQJWXOVSS-UHFFFAOYSA-N 1 2 329.419 3.517 20 0 EHADLO CC1CCC([N@@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000066792670 1017940349 /nfs/dbraw/zinc/94/03/49/1017940349.db2.gz KKFRSUQJWXOVSS-UHFFFAOYSA-N 1 2 329.419 3.517 20 0 EHADLO CC[N@@H+](Cc1cnc(C2CCCCC2)s1)C[C@H](O)C(F)(F)F ZINC000547989344 1017981362 /nfs/dbraw/zinc/98/13/62/1017981362.db2.gz WWTRWPVRGKGBGO-ZDUSSCGKSA-N 1 2 336.423 3.936 20 0 EHADLO CC[N@H+](Cc1cnc(C2CCCCC2)s1)C[C@H](O)C(F)(F)F ZINC000547989344 1017981380 /nfs/dbraw/zinc/98/13/80/1017981380.db2.gz WWTRWPVRGKGBGO-ZDUSSCGKSA-N 1 2 336.423 3.936 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000255070658 1018025031 /nfs/dbraw/zinc/02/50/31/1018025031.db2.gz SWDBIRCFKCPERF-KKTNHOPESA-N 1 2 349.356 3.686 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc([S@@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000892980732 1018040993 /nfs/dbraw/zinc/04/09/93/1018040993.db2.gz GYDHCZZJZRYPFI-JCQPUDPBSA-N 1 2 329.469 3.963 20 0 EHADLO CC(C)(CNC(=O)NCCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000076555445 1018045922 /nfs/dbraw/zinc/04/59/22/1018045922.db2.gz CREFLWHYAXVJAS-UHFFFAOYSA-N 1 2 348.878 3.594 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)nn1 ZINC000377625530 1018079947 /nfs/dbraw/zinc/07/99/47/1018079947.db2.gz MUURLBGZVJLEIB-QRWLVFNGSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)nn1 ZINC000377625530 1018079960 /nfs/dbraw/zinc/07/99/60/1018079960.db2.gz MUURLBGZVJLEIB-QRWLVFNGSA-N 1 2 333.439 3.554 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C2CC2)o1 ZINC000377621085 1018080084 /nfs/dbraw/zinc/08/00/84/1018080084.db2.gz FTNWXQFNNAMVAY-WQVCFCJDSA-N 1 2 339.439 3.737 20 0 EHADLO O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377624291 1018086856 /nfs/dbraw/zinc/08/68/56/1018086856.db2.gz KZJJHABLDIIGKF-INIZCTEOSA-N 1 2 325.412 3.790 20 0 EHADLO CC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCOC(C)(C)C1 ZINC000580014679 1018089597 /nfs/dbraw/zinc/08/95/97/1018089597.db2.gz YMMKBAWAOLDLML-KRWDZBQOSA-N 1 2 343.471 3.748 20 0 EHADLO CC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCOC(C)(C)C1 ZINC000580014679 1018089616 /nfs/dbraw/zinc/08/96/16/1018089616.db2.gz YMMKBAWAOLDLML-KRWDZBQOSA-N 1 2 343.471 3.748 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000377650822 1018121576 /nfs/dbraw/zinc/12/15/76/1018121576.db2.gz NZDTTWPVGYXDSC-OAHLLOKOSA-N 1 2 330.453 3.834 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000377650822 1018121584 /nfs/dbraw/zinc/12/15/84/1018121584.db2.gz NZDTTWPVGYXDSC-OAHLLOKOSA-N 1 2 330.453 3.834 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377661034 1018138299 /nfs/dbraw/zinc/13/82/99/1018138299.db2.gz BULVHYUWZYBHFN-HNNXBMFYSA-N 1 2 333.395 3.607 20 0 EHADLO O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000047456163 1018161238 /nfs/dbraw/zinc/16/12/38/1018161238.db2.gz JSBZCJUNHUDWTR-UHFFFAOYSA-N 1 2 345.406 3.710 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000893018970 1018176478 /nfs/dbraw/zinc/17/64/78/1018176478.db2.gz OVWDHKVQDIRKMY-UHFFFAOYSA-N 1 2 340.423 3.803 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000893018970 1018176489 /nfs/dbraw/zinc/17/64/89/1018176489.db2.gz OVWDHKVQDIRKMY-UHFFFAOYSA-N 1 2 340.423 3.803 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccncc1F ZINC000340509612 1018182551 /nfs/dbraw/zinc/18/25/51/1018182551.db2.gz SKPQESFKLLMMIQ-QMTHXVAHSA-N 1 2 344.308 3.504 20 0 EHADLO CC[C@H]1CCC[C@]1(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125407441 1018345498 /nfs/dbraw/zinc/34/54/98/1018345498.db2.gz GPWGYSZREMAPHZ-ICSRJNTNSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(C2CC2)c1 ZINC000656054074 1018379720 /nfs/dbraw/zinc/37/97/20/1018379720.db2.gz JKIRKQSYMQBXKU-BEFAXECRSA-N 1 2 338.455 3.868 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000377802892 1018397871 /nfs/dbraw/zinc/39/78/71/1018397871.db2.gz OXVFZYGCMGVUFB-MRXNPFEDSA-N 1 2 336.395 3.712 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(Cl)oc2ccccc21 ZINC000651080106 1018398099 /nfs/dbraw/zinc/39/80/99/1018398099.db2.gz PJAWWKOMEOMSPR-UHFFFAOYSA-N 1 2 343.814 3.592 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000683765248 1018404433 /nfs/dbraw/zinc/40/44/33/1018404433.db2.gz IJWNBISQYPVBQI-FQEVSTJZSA-N 1 2 328.419 3.848 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+]Cc1nccn1C1CC1 ZINC000893085490 1018414682 /nfs/dbraw/zinc/41/46/82/1018414682.db2.gz ZOOJIPDJULUBPD-UHFFFAOYSA-N 1 2 327.762 3.763 20 0 EHADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ncc(-c2ccccc2)o1 ZINC000377815923 1018417412 /nfs/dbraw/zinc/41/74/12/1018417412.db2.gz AEFUCXQJKLCFPD-ZDUSSCGKSA-N 1 2 347.378 3.872 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581223 1032764001 /nfs/dbraw/zinc/76/40/01/1032764001.db2.gz VIWORNFBYCDKQT-UHFFFAOYSA-N 1 2 330.775 3.949 20 0 EHADLO COCc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1 ZINC000340560027 1018451307 /nfs/dbraw/zinc/45/13/07/1018451307.db2.gz WXNRXFDHGLWZFJ-UHFFFAOYSA-N 1 2 326.318 3.781 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(Cc2ccccc2)CC1 ZINC000606580744 1032766268 /nfs/dbraw/zinc/76/62/68/1032766268.db2.gz CFMUFXPFIFZFPJ-UHFFFAOYSA-N 1 2 334.423 3.821 20 0 EHADLO CCCCOc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606582386 1032766446 /nfs/dbraw/zinc/76/64/46/1032766446.db2.gz MXBBTPISTCODSQ-UHFFFAOYSA-N 1 2 338.411 3.835 20 0 EHADLO Fc1cc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C(F)(F)F)c1 ZINC000092073017 1032766332 /nfs/dbraw/zinc/76/63/32/1032766332.db2.gz ABRBAFOBZMRIOP-LBPRGKRZSA-N 1 2 327.325 3.947 20 0 EHADLO C[N@@H+]1CCc2ncnc(N[C@H](c3cccc(F)c3)C(C)(C)C)c2C1 ZINC000444069806 1018523001 /nfs/dbraw/zinc/52/30/01/1018523001.db2.gz BWMXGQIGWWACPT-QGZVFWFLSA-N 1 2 328.435 3.803 20 0 EHADLO C[N@H+]1CCc2ncnc(N[C@H](c3cccc(F)c3)C(C)(C)C)c2C1 ZINC000444069806 1018523014 /nfs/dbraw/zinc/52/30/14/1018523014.db2.gz BWMXGQIGWWACPT-QGZVFWFLSA-N 1 2 328.435 3.803 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)c(F)c(F)c1 ZINC000119240314 1032770501 /nfs/dbraw/zinc/77/05/01/1032770501.db2.gz YTXUZMQRXGDVJE-UHFFFAOYSA-N 1 2 338.333 3.513 20 0 EHADLO Cc1cc(N2CCN(C(=O)C3(C)CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000123891150 1018548703 /nfs/dbraw/zinc/54/87/03/1018548703.db2.gz IVLGLYYSCIUGKV-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000584543190 1018549307 /nfs/dbraw/zinc/54/93/07/1018549307.db2.gz YZCIZOONVWTRNQ-UHFFFAOYSA-N 1 2 339.483 3.516 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000584543190 1018549323 /nfs/dbraw/zinc/54/93/23/1018549323.db2.gz YZCIZOONVWTRNQ-UHFFFAOYSA-N 1 2 339.483 3.516 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3ccccc3)s2)c1 ZINC000155601610 1018568421 /nfs/dbraw/zinc/56/84/21/1018568421.db2.gz AWVZRPPVJLSJSV-UHFFFAOYSA-N 1 2 338.480 3.903 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)s2)c1 ZINC000155601610 1018568435 /nfs/dbraw/zinc/56/84/35/1018568435.db2.gz AWVZRPPVJLSJSV-UHFFFAOYSA-N 1 2 338.480 3.903 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1F ZINC000340590659 1018593666 /nfs/dbraw/zinc/59/36/66/1018593666.db2.gz FTUIVWYSIKKCIN-OAHLLOKOSA-N 1 2 344.405 3.792 20 0 EHADLO NC(=O)c1cccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000340603248 1018638657 /nfs/dbraw/zinc/63/86/57/1018638657.db2.gz CDMZQWRAZCTSAU-UHFFFAOYSA-N 1 2 347.418 3.564 20 0 EHADLO Fc1ccc(C[NH+]2CCN(Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC001204526656 1018659864 /nfs/dbraw/zinc/65/98/64/1018659864.db2.gz JPUXAYQMAYKDQN-UHFFFAOYSA-N 1 2 338.348 3.561 20 0 EHADLO COC[C@@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816599 1018680888 /nfs/dbraw/zinc/68/08/88/1018680888.db2.gz UDENEPYWQWETSI-RBUKOAKNSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816599 1018680892 /nfs/dbraw/zinc/68/08/92/1018680892.db2.gz UDENEPYWQWETSI-RBUKOAKNSA-N 1 2 330.859 3.804 20 0 EHADLO CCc1cc2oc(=O)cc(C[N@H+](CC)C[C@@H](C)C#N)c2cc1Cl ZINC000049982321 1018712498 /nfs/dbraw/zinc/71/24/98/1018712498.db2.gz XXRFJOIGXBGICT-LBPRGKRZSA-N 1 2 332.831 3.990 20 0 EHADLO CCc1cc2oc(=O)cc(C[N@@H+](CC)C[C@@H](C)C#N)c2cc1Cl ZINC000049982321 1018712505 /nfs/dbraw/zinc/71/25/05/1018712505.db2.gz XXRFJOIGXBGICT-LBPRGKRZSA-N 1 2 332.831 3.990 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000052183657 1018856958 /nfs/dbraw/zinc/85/69/58/1018856958.db2.gz LHNUPGUIWVGGOU-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000052183657 1018856984 /nfs/dbraw/zinc/85/69/84/1018856984.db2.gz LHNUPGUIWVGGOU-UHFFFAOYSA-N 1 2 346.377 3.577 20 0 EHADLO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccccn1 ZINC000052217843 1018876601 /nfs/dbraw/zinc/87/66/01/1018876601.db2.gz RYWYDSFOCMNMHX-KRWDZBQOSA-N 1 2 337.467 3.660 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccccn1 ZINC000052217843 1018876617 /nfs/dbraw/zinc/87/66/17/1018876617.db2.gz RYWYDSFOCMNMHX-KRWDZBQOSA-N 1 2 337.467 3.660 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)n1 ZINC000580259638 1018884285 /nfs/dbraw/zinc/88/42/85/1018884285.db2.gz QOMFBYLKYODMSN-WCQYABFASA-N 1 2 330.444 3.692 20 0 EHADLO C[C@@H](CCNc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000513085130 1018931955 /nfs/dbraw/zinc/93/19/55/1018931955.db2.gz YAIRWSHQPVXVMN-HNNXBMFYSA-N 1 2 328.485 3.636 20 0 EHADLO C[C@@H](CCNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000513085130 1018931962 /nfs/dbraw/zinc/93/19/62/1018931962.db2.gz YAIRWSHQPVXVMN-HNNXBMFYSA-N 1 2 328.485 3.636 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/C=C(Cl)Cl ZINC000897566593 1032797996 /nfs/dbraw/zinc/79/79/96/1032797996.db2.gz SLJRZUBFRTWELT-XBXARRHUSA-N 1 2 330.259 3.559 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCC34CCCCC4)[nH+]cn2)C1 ZINC000664150270 1018995957 /nfs/dbraw/zinc/99/59/57/1018995957.db2.gz KQSOEGBQOBXHRY-BBWFWOEESA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCC34CCCCC4)nc[nH+]2)C1 ZINC000664150270 1018995963 /nfs/dbraw/zinc/99/59/63/1018995963.db2.gz KQSOEGBQOBXHRY-BBWFWOEESA-N 1 2 344.503 3.599 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(C)[nH+]1 ZINC000408463649 1019041367 /nfs/dbraw/zinc/04/13/67/1019041367.db2.gz GNEKUCSESHRJHJ-DUOKCRBOSA-N 1 2 345.487 3.800 20 0 EHADLO CC(C)(CNC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000052559755 1019080729 /nfs/dbraw/zinc/08/07/29/1019080729.db2.gz FBQKEFMRSSJIOZ-UHFFFAOYSA-N 1 2 348.878 3.594 20 0 EHADLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001203396562 1019101575 /nfs/dbraw/zinc/10/15/75/1019101575.db2.gz FBHUXVKSVBKGJX-AWEZNQCLSA-N 1 2 344.286 3.665 20 0 EHADLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001203396562 1019101586 /nfs/dbraw/zinc/10/15/86/1019101586.db2.gz FBHUXVKSVBKGJX-AWEZNQCLSA-N 1 2 344.286 3.665 20 0 EHADLO Cc1nccnc1[C@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275855040 1019125900 /nfs/dbraw/zinc/12/59/00/1019125900.db2.gz LTUDSMNRSCDTBF-HNNXBMFYSA-N 1 2 331.423 3.873 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c(C)[nH+]1 ZINC000408467612 1019229089 /nfs/dbraw/zinc/22/90/89/1019229089.db2.gz OSBNSBCOZSRFRV-BLVKFPJESA-N 1 2 333.476 3.706 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000255941187 1019254201 /nfs/dbraw/zinc/25/42/01/1019254201.db2.gz OHJYULSLPNVGBL-XLIONFOSSA-N 1 2 337.467 3.560 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804232 1019267046 /nfs/dbraw/zinc/26/70/46/1019267046.db2.gz BBUNQBUDERPNQQ-BXUZGUMPSA-N 1 2 335.498 3.986 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804232 1019267057 /nfs/dbraw/zinc/26/70/57/1019267057.db2.gz BBUNQBUDERPNQQ-BXUZGUMPSA-N 1 2 335.498 3.986 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]C[C@@H]2CSc3ccccc32)C2CCCCC2)n1 ZINC000580399009 1019272121 /nfs/dbraw/zinc/27/21/21/1019272121.db2.gz YQLSIZLRIYWGRJ-PBHICJAKSA-N 1 2 328.485 3.905 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000729339884 1019300046 /nfs/dbraw/zinc/30/00/46/1019300046.db2.gz DPORYKSXJFSMMG-VYENPZKTSA-N 1 2 348.450 3.676 20 0 EHADLO COc1ccc2cc(CN(C)c3cc(N4CCCC4)[nH+]cn3)ccc2c1 ZINC000433602665 1019431690 /nfs/dbraw/zinc/43/16/90/1019431690.db2.gz FEYSMPANFDECLL-UHFFFAOYSA-N 1 2 348.450 3.875 20 0 EHADLO COc1ccc2cc(CN(C)c3cc(N4CCCC4)nc[nH+]3)ccc2c1 ZINC000433602665 1019431701 /nfs/dbraw/zinc/43/17/01/1019431701.db2.gz FEYSMPANFDECLL-UHFFFAOYSA-N 1 2 348.450 3.875 20 0 EHADLO COc1ccsc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000471581224 1019441207 /nfs/dbraw/zinc/44/12/07/1019441207.db2.gz NCVXSHSKGZIQDX-MCIONIFRSA-N 1 2 347.484 3.938 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430000872 1019450798 /nfs/dbraw/zinc/45/07/98/1019450798.db2.gz BHDWVRPCXGGYEG-UHFFFAOYSA-N 1 2 349.434 3.793 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430000872 1019450808 /nfs/dbraw/zinc/45/08/08/1019450808.db2.gz BHDWVRPCXGGYEG-UHFFFAOYSA-N 1 2 349.434 3.793 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NC(C)C)cc3C)n2c1 ZINC000340701681 1019473958 /nfs/dbraw/zinc/47/39/58/1019473958.db2.gz OXENMNYZOWZUPP-UHFFFAOYSA-N 1 2 336.439 3.701 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCS[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000656253943 1019673778 /nfs/dbraw/zinc/67/37/78/1019673778.db2.gz KOUQJKRFAFSTGM-GOSISDBHSA-N 1 2 341.480 3.698 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1 ZINC000580579336 1019681916 /nfs/dbraw/zinc/68/19/16/1019681916.db2.gz XZQIRPMZJYXJHR-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433864765 1019726246 /nfs/dbraw/zinc/72/62/46/1019726246.db2.gz YZHVOZOIPGCBAM-UHFFFAOYSA-N 1 2 348.468 3.737 20 0 EHADLO CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1nccs1)CC2 ZINC001204544503 1019772985 /nfs/dbraw/zinc/77/29/85/1019772985.db2.gz BSRDXEAXAQJOJK-UHFFFAOYSA-N 1 2 337.489 3.509 20 0 EHADLO C[C@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000255661653 1019796107 /nfs/dbraw/zinc/79/61/07/1019796107.db2.gz VNSNYKWREYCSSA-ZRMMWKCHSA-N 1 2 332.797 3.922 20 0 EHADLO C[C@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000255661653 1019796126 /nfs/dbraw/zinc/79/61/26/1019796126.db2.gz VNSNYKWREYCSSA-ZRMMWKCHSA-N 1 2 332.797 3.922 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc2ccccc2[nH]1 ZINC000684018934 1019826491 /nfs/dbraw/zinc/82/64/91/1019826491.db2.gz CWALSKNEXOQSOI-UHFFFAOYSA-N 1 2 343.377 3.907 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc2ccccc2[nH]1 ZINC000684018934 1019826505 /nfs/dbraw/zinc/82/65/05/1019826505.db2.gz CWALSKNEXOQSOI-UHFFFAOYSA-N 1 2 343.377 3.907 20 0 EHADLO Cc1ccc2oc(=Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000513625864 1019901313 /nfs/dbraw/zinc/90/13/13/1019901313.db2.gz TZHYOGKLXVFLHO-OAHLLOKOSA-N 1 2 337.423 3.695 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000123122155 1019956459 /nfs/dbraw/zinc/95/64/59/1019956459.db2.gz NWIDOGVXWROIFV-MGPUTAFESA-N 1 2 348.450 3.771 20 0 EHADLO Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1Cl ZINC000345163742 1019998382 /nfs/dbraw/zinc/99/83/82/1019998382.db2.gz LZUNQHBVDFJMIJ-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc[nH]c1C1CCC1 ZINC000345188457 1020041903 /nfs/dbraw/zinc/04/19/03/1020041903.db2.gz NDLUOCIRJSHVOD-UHFFFAOYSA-N 1 2 338.455 3.598 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000476115990 1032876205 /nfs/dbraw/zinc/87/62/05/1032876205.db2.gz ABVHFERAROLPEM-CJNGLKHVSA-N 1 2 347.409 3.708 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111037 1032877692 /nfs/dbraw/zinc/87/76/92/1032877692.db2.gz COGVFVAHXUXXJN-DGCLKSJQSA-N 1 2 346.254 3.788 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001168111037 1032877704 /nfs/dbraw/zinc/87/77/04/1032877704.db2.gz COGVFVAHXUXXJN-DGCLKSJQSA-N 1 2 346.254 3.788 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000580862276 1020154644 /nfs/dbraw/zinc/15/46/44/1020154644.db2.gz OWVIWZDPDFIPRS-WFASDCNBSA-N 1 2 343.818 3.595 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000580862276 1020154657 /nfs/dbraw/zinc/15/46/57/1020154657.db2.gz OWVIWZDPDFIPRS-WFASDCNBSA-N 1 2 343.818 3.595 20 0 EHADLO Cc1csc([C@@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000255855652 1020166424 /nfs/dbraw/zinc/16/64/24/1020166424.db2.gz NLSISKXVFZABDI-BMWLXYDHSA-N 1 2 338.436 3.528 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC(C)(C)C1 ZINC000510362632 1020300204 /nfs/dbraw/zinc/30/02/04/1020300204.db2.gz OOIRTVMOLBDRLN-BRWVUGGUSA-N 1 2 329.488 3.629 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000280351116 1020307443 /nfs/dbraw/zinc/30/74/43/1020307443.db2.gz WPGCTJBWZDWUQE-LBPRGKRZSA-N 1 2 348.434 3.932 20 0 EHADLO CCCC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000345558438 1020357975 /nfs/dbraw/zinc/35/79/75/1020357975.db2.gz AXSIROMMMGPLRK-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)[C@H]1C ZINC000706787654 1020368497 /nfs/dbraw/zinc/36/84/97/1020368497.db2.gz IYOZBTJSFWCUIZ-BDAKNGLRSA-N 1 2 335.616 3.785 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)[C@H]1C ZINC000706787654 1020368512 /nfs/dbraw/zinc/36/85/12/1020368512.db2.gz IYOZBTJSFWCUIZ-BDAKNGLRSA-N 1 2 335.616 3.785 20 0 EHADLO OC[C@H](C1CC1)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000155976079 1020378196 /nfs/dbraw/zinc/37/81/96/1020378196.db2.gz QJTKDILFHPAHLM-LJQANCHMSA-N 1 2 349.434 3.510 20 0 EHADLO OC[C@H](C1CC1)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000155976079 1020378207 /nfs/dbraw/zinc/37/82/07/1020378207.db2.gz QJTKDILFHPAHLM-LJQANCHMSA-N 1 2 349.434 3.510 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528824505 1032898692 /nfs/dbraw/zinc/89/86/92/1032898692.db2.gz BOAAGXKXEARJFJ-RYUDHWBXSA-N 1 2 335.810 3.860 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000345621696 1020417083 /nfs/dbraw/zinc/41/70/83/1020417083.db2.gz DQLUGPVARPEWTB-CYBMUJFWSA-N 1 2 349.887 3.834 20 0 EHADLO CC1CC[NH+](Cc2nc(COc3ccc(Cl)c(F)c3)no2)CC1 ZINC000340870196 1020490537 /nfs/dbraw/zinc/49/05/37/1020490537.db2.gz MCNFHUNOKJTLNP-UHFFFAOYSA-N 1 2 339.798 3.673 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(C(F)(F)F)n1 ZINC000340878425 1020529697 /nfs/dbraw/zinc/52/96/97/1020529697.db2.gz GRABZSXESNVIQC-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000345888052 1020576544 /nfs/dbraw/zinc/57/65/44/1020576544.db2.gz WCPXJSSMACHRFQ-APWZRJJASA-N 1 2 325.456 3.764 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[C@@H](OC)C1 ZINC000581313920 1020667727 /nfs/dbraw/zinc/66/77/27/1020667727.db2.gz VYINXMIBOHTLOR-YVWKXTFCSA-N 1 2 341.451 3.676 20 0 EHADLO CC[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC1(C)C ZINC000419566114 1020718721 /nfs/dbraw/zinc/71/87/21/1020718721.db2.gz OTZMSKHOMXMDRZ-GJZGRUSLSA-N 1 2 333.476 3.673 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1Cl ZINC000341000268 1020802513 /nfs/dbraw/zinc/80/25/13/1020802513.db2.gz HMVSAXKKTUSUMQ-INIZCTEOSA-N 1 2 339.826 3.902 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000933244052 1020804847 /nfs/dbraw/zinc/80/48/47/1020804847.db2.gz QCHUMNDORRDADX-GBESFXJTSA-N 1 2 342.483 3.592 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)c(C)c1 ZINC000684230139 1020826865 /nfs/dbraw/zinc/82/68/65/1020826865.db2.gz CUSQXIUPRPBMKG-INIZCTEOSA-N 1 2 334.423 3.973 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000341017527 1020865599 /nfs/dbraw/zinc/86/55/99/1020865599.db2.gz DKKFSBLQXLNVGY-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO C[N@H+](CCc1cccc(NC(=O)c2cccc(Cl)c2O)c1)C1CC1 ZINC001266725257 1020882351 /nfs/dbraw/zinc/88/23/51/1020882351.db2.gz ZYYQNTFEXJRIHQ-UHFFFAOYSA-N 1 2 344.842 3.935 20 0 EHADLO C[N@@H+](CCc1cccc(NC(=O)c2cccc(Cl)c2O)c1)C1CC1 ZINC001266725257 1020882362 /nfs/dbraw/zinc/88/23/62/1020882362.db2.gz ZYYQNTFEXJRIHQ-UHFFFAOYSA-N 1 2 344.842 3.935 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(C(F)F)nc1 ZINC000657869447 1032941597 /nfs/dbraw/zinc/94/15/97/1032941597.db2.gz WTSBITITXYXLNN-SECBINFHSA-N 1 2 334.292 3.629 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000341078662 1020958097 /nfs/dbraw/zinc/95/80/97/1020958097.db2.gz WOEFULCIVRCFJC-GFCCVEGCSA-N 1 2 343.402 3.618 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000341078662 1020958104 /nfs/dbraw/zinc/95/81/04/1020958104.db2.gz WOEFULCIVRCFJC-GFCCVEGCSA-N 1 2 343.402 3.618 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1C ZINC000606992139 1032953917 /nfs/dbraw/zinc/95/39/17/1032953917.db2.gz HYRIBVZZGKBKLR-STQMWFEESA-N 1 2 333.476 3.673 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510434399 1021102082 /nfs/dbraw/zinc/10/20/82/1021102082.db2.gz MXTDGIPOSCBREV-QUCCMNQESA-N 1 2 349.434 3.588 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510434399 1021102085 /nfs/dbraw/zinc/10/20/85/1021102085.db2.gz MXTDGIPOSCBREV-QUCCMNQESA-N 1 2 349.434 3.588 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)[C@H]1OCCc2sccc21 ZINC000581584415 1021113800 /nfs/dbraw/zinc/11/38/00/1021113800.db2.gz WRJIOUHJYWZFJR-UHIISALHSA-N 1 2 335.473 3.782 20 0 EHADLO CCOc1ccc(C(C)(C)C(=O)Nc2cc[nH+]c(C)c2)cc1OCC ZINC000341230309 1021135553 /nfs/dbraw/zinc/13/55/53/1021135553.db2.gz SSZHRVCTUHJADD-UHFFFAOYSA-N 1 2 342.439 3.526 20 0 EHADLO O=C(c1cc2c(s1)CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341245055 1021171685 /nfs/dbraw/zinc/17/16/85/1021171685.db2.gz ZLMOWRDQXGWCDY-UHFFFAOYSA-N 1 2 343.496 3.766 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000076054731 1021204246 /nfs/dbraw/zinc/20/42/46/1021204246.db2.gz SIQDLQLVBGRPSC-QZTJIDSGSA-N 1 2 338.455 3.758 20 0 EHADLO O=C(C[N@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1)NC1CC1 ZINC000507441114 1021254533 /nfs/dbraw/zinc/25/45/33/1021254533.db2.gz KEBYYYQZELSCJP-MFUUIURDSA-N 1 2 346.474 3.994 20 0 EHADLO O=C(C[N@@H+](C/C=C/c1ccccc1)C/C=C\c1ccccc1)NC1CC1 ZINC000507441114 1021254549 /nfs/dbraw/zinc/25/45/49/1021254549.db2.gz KEBYYYQZELSCJP-MFUUIURDSA-N 1 2 346.474 3.994 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)n2)s1 ZINC000426321911 1021260612 /nfs/dbraw/zinc/26/06/12/1021260612.db2.gz GAAOUCWQYSBXDG-CQSZACIVSA-N 1 2 347.509 3.999 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)n2)s1 ZINC000426321911 1021260634 /nfs/dbraw/zinc/26/06/34/1021260634.db2.gz GAAOUCWQYSBXDG-CQSZACIVSA-N 1 2 347.509 3.999 20 0 EHADLO COc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C)c1OC ZINC000341274526 1021260866 /nfs/dbraw/zinc/26/08/66/1021260866.db2.gz DQACHCWYPQQSOC-UHFFFAOYSA-N 1 2 337.379 3.655 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000076665390 1021286688 /nfs/dbraw/zinc/28/66/88/1021286688.db2.gz DWEFOBJTHJKUMX-OAHLLOKOSA-N 1 2 346.475 3.719 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000076665390 1021286696 /nfs/dbraw/zinc/28/66/96/1021286696.db2.gz DWEFOBJTHJKUMX-OAHLLOKOSA-N 1 2 346.475 3.719 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844694 1021329026 /nfs/dbraw/zinc/32/90/26/1021329026.db2.gz UVJFSAOVQNNNSH-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844694 1021329039 /nfs/dbraw/zinc/32/90/39/1021329039.db2.gz UVJFSAOVQNNNSH-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO CC[N@H+](Cc1ccccc1Br)C[C@](C)(O)C(F)(F)F ZINC000439317165 1021342839 /nfs/dbraw/zinc/34/28/39/1021342839.db2.gz FHSLSOHGUIIEJW-LBPRGKRZSA-N 1 2 340.183 3.584 20 0 EHADLO CC[N@@H+](Cc1ccccc1Br)C[C@](C)(O)C(F)(F)F ZINC000439317165 1021342857 /nfs/dbraw/zinc/34/28/57/1021342857.db2.gz FHSLSOHGUIIEJW-LBPRGKRZSA-N 1 2 340.183 3.584 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc3nc(C)sc3c2)CC[S@]1=O ZINC000426365249 1021388861 /nfs/dbraw/zinc/38/88/61/1021388861.db2.gz KRPBZRONHLUOHI-JOCHJYFZSA-N 1 2 336.526 3.728 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[S@]1=O ZINC000426365249 1021388877 /nfs/dbraw/zinc/38/88/77/1021388877.db2.gz KRPBZRONHLUOHI-JOCHJYFZSA-N 1 2 336.526 3.728 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@]3(C)CCOc4ccccc43)o2)c(C)o1 ZINC000933366015 1021415589 /nfs/dbraw/zinc/41/55/89/1021415589.db2.gz LLRJXWUZLXXFEW-LJQANCHMSA-N 1 2 339.395 3.734 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC000426380219 1021423379 /nfs/dbraw/zinc/42/33/79/1021423379.db2.gz RGCOMNZSAZONIX-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC000426380219 1021423382 /nfs/dbraw/zinc/42/33/82/1021423382.db2.gz RGCOMNZSAZONIX-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO c1c(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)[nH]nc1-c1ccccc1 ZINC000507670463 1021427595 /nfs/dbraw/zinc/42/75/95/1021427595.db2.gz VIWOXHVTVCGSAT-FQEVSTJZSA-N 1 2 333.435 3.520 20 0 EHADLO c1c(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)[nH]nc1-c1ccccc1 ZINC000507670463 1021427602 /nfs/dbraw/zinc/42/76/02/1021427602.db2.gz VIWOXHVTVCGSAT-FQEVSTJZSA-N 1 2 333.435 3.520 20 0 EHADLO CCCN(CCc1ccccn1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000341330039 1021444169 /nfs/dbraw/zinc/44/41/69/1021444169.db2.gz WDZSUCRVQOKOSI-UHFFFAOYSA-N 1 2 348.450 3.671 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(C2CC2)c1 ZINC000518713408 1021446272 /nfs/dbraw/zinc/44/62/72/1021446272.db2.gz FILDQGQHGZSNEC-AWEZNQCLSA-N 1 2 338.455 3.937 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(C2CC2)c1 ZINC000518713408 1021446284 /nfs/dbraw/zinc/44/62/84/1021446284.db2.gz FILDQGQHGZSNEC-AWEZNQCLSA-N 1 2 338.455 3.937 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000505921823 1021457852 /nfs/dbraw/zinc/45/78/52/1021457852.db2.gz BSMRXIXGOWBRHD-CRAIPNDOSA-N 1 2 331.419 3.946 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000439486979 1021479205 /nfs/dbraw/zinc/47/92/05/1021479205.db2.gz OKQGEYWIBIBCMY-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000439486979 1021479210 /nfs/dbraw/zinc/47/92/10/1021479210.db2.gz OKQGEYWIBIBCMY-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO C[C@]1([NH2+]Cc2nnc(-c3cccc(F)c3)o2)CCOc2ccccc21 ZINC000933371839 1021500026 /nfs/dbraw/zinc/50/00/26/1021500026.db2.gz SSDWHLZEBXIWTG-IBGZPJMESA-N 1 2 339.370 3.663 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncn(Cc3cccc(F)c3)n1)CC2 ZINC000437077442 1021526777 /nfs/dbraw/zinc/52/67/77/1021526777.db2.gz LJHIISVXEYWRMG-IBGZPJMESA-N 1 2 336.414 3.551 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000449660092 1032990367 /nfs/dbraw/zinc/99/03/67/1032990367.db2.gz DZYBVERRWXGNEU-OLZOCXBDSA-N 1 2 329.387 3.539 20 0 EHADLO Cc1cn2cc(NC(=O)c3cncc(-c4ccccc4)c3)ccc2[nH+]1 ZINC000341385268 1021635865 /nfs/dbraw/zinc/63/58/65/1021635865.db2.gz WZSRVGPOSPCPBU-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000289213959 1021689187 /nfs/dbraw/zinc/68/91/87/1021689187.db2.gz CDYIMZILRHMBHR-GWCFXTLKSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000289213959 1021689193 /nfs/dbraw/zinc/68/91/93/1021689193.db2.gz CDYIMZILRHMBHR-GWCFXTLKSA-N 1 2 342.188 3.986 20 0 EHADLO CC(C)c1cccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000437317758 1021725441 /nfs/dbraw/zinc/72/54/41/1021725441.db2.gz VGOCJICKRSAHIO-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341412950 1021779066 /nfs/dbraw/zinc/77/90/66/1021779066.db2.gz VVYMQAOZQRFVMM-UHFFFAOYSA-N 1 2 327.409 3.751 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000581827660 1021840194 /nfs/dbraw/zinc/84/01/94/1021840194.db2.gz ZCDYDFTTWNJNOC-LSDHHAIUSA-N 1 2 333.476 3.636 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC000476166891 1033010315 /nfs/dbraw/zinc/01/03/15/1033010315.db2.gz WKSUANXFYHNENJ-CAOSSQGBSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@@H]3CCC[C@H]3C1)CC2 ZINC000476166891 1033010331 /nfs/dbraw/zinc/01/03/31/1033010331.db2.gz WKSUANXFYHNENJ-CAOSSQGBSA-N 1 2 329.488 3.723 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(F)(F)CC1 ZINC000684428232 1021850435 /nfs/dbraw/zinc/85/04/35/1021850435.db2.gz CVEFNTRKCRMLMG-UHFFFAOYSA-N 1 2 333.304 3.823 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944159 1021888512 /nfs/dbraw/zinc/88/85/12/1021888512.db2.gz UIKUCRVKIJPFCQ-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944159 1021888521 /nfs/dbraw/zinc/88/85/21/1021888521.db2.gz UIKUCRVKIJPFCQ-HZPDHXFCSA-N 1 2 336.863 3.619 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)co2)cc1 ZINC000440954093 1021902262 /nfs/dbraw/zinc/90/22/62/1021902262.db2.gz WHECNFDWWRNPJE-QZTJIDSGSA-N 1 2 342.439 3.882 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)co2)cc1 ZINC000440954093 1021902271 /nfs/dbraw/zinc/90/22/71/1021902271.db2.gz WHECNFDWWRNPJE-QZTJIDSGSA-N 1 2 342.439 3.882 20 0 EHADLO Cc1cc(NCc2ccc(Br)cc2C)nc(C2CC2)[nH+]1 ZINC000341447884 1021919764 /nfs/dbraw/zinc/91/97/64/1021919764.db2.gz BYCWDWFHIWZQAS-UHFFFAOYSA-N 1 2 332.245 3.767 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000341445662 1021921929 /nfs/dbraw/zinc/92/19/29/1021921929.db2.gz BZAUETQOCUHCDK-QGZVFWFLSA-N 1 2 333.391 3.629 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000519206115 1021933479 /nfs/dbraw/zinc/93/34/79/1021933479.db2.gz MKHRDGUNLBCVHL-FGTMMUONSA-N 1 2 344.503 3.932 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000519216004 1021937088 /nfs/dbraw/zinc/93/70/88/1021937088.db2.gz WTCUNOXKCUQMHW-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000519216004 1021937101 /nfs/dbraw/zinc/93/71/01/1021937101.db2.gz WTCUNOXKCUQMHW-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H](Nc1cc(COC)cc[nH+]1)CCC2 ZINC000593724222 1033018065 /nfs/dbraw/zinc/01/80/65/1033018065.db2.gz AWGZQMQPLYRKBR-AWEZNQCLSA-N 1 2 344.411 3.796 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000276594679 1021941408 /nfs/dbraw/zinc/94/14/08/1021941408.db2.gz NOHWXBHLBWJIDG-KRWDZBQOSA-N 1 2 329.444 3.652 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441037376 1021944608 /nfs/dbraw/zinc/94/46/08/1021944608.db2.gz GZQCQRVWCFRXCR-HNNXBMFYSA-N 1 2 338.426 3.552 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441037376 1021944620 /nfs/dbraw/zinc/94/46/20/1021944620.db2.gz GZQCQRVWCFRXCR-HNNXBMFYSA-N 1 2 338.426 3.552 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441053289 1021957689 /nfs/dbraw/zinc/95/76/89/1021957689.db2.gz SVHSPFNLOJMHQJ-UHFFFAOYSA-N 1 2 340.442 3.770 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441053289 1021957694 /nfs/dbraw/zinc/95/76/94/1021957694.db2.gz SVHSPFNLOJMHQJ-UHFFFAOYSA-N 1 2 340.442 3.770 20 0 EHADLO CCCC1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000506765067 1021971823 /nfs/dbraw/zinc/97/18/23/1021971823.db2.gz CKTHEIOQUMQVDG-AQEOSJORSA-N 1 2 329.488 3.629 20 0 EHADLO CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC000153923966 1033019960 /nfs/dbraw/zinc/01/99/60/1033019960.db2.gz ZELVYPXLHHCDPK-ROUUACIJSA-N 1 2 338.455 3.601 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nccc(C)n2)cc1OC ZINC000341465160 1021986664 /nfs/dbraw/zinc/98/66/64/1021986664.db2.gz SMKDOJOUANNBSD-OAHLLOKOSA-N 1 2 329.444 3.823 20 0 EHADLO Cc1ncsc1C[N@@H+](C)CC(=O)N(CCC(C)C)CCC(C)C ZINC000520188594 1022005393 /nfs/dbraw/zinc/00/53/93/1022005393.db2.gz HDPHVPPJMGGXTC-UHFFFAOYSA-N 1 2 339.549 3.804 20 0 EHADLO Cc1ncsc1C[N@H+](C)CC(=O)N(CCC(C)C)CCC(C)C ZINC000520188594 1022005402 /nfs/dbraw/zinc/00/54/02/1022005402.db2.gz HDPHVPPJMGGXTC-UHFFFAOYSA-N 1 2 339.549 3.804 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c(OCCC)c1 ZINC000276616417 1022006352 /nfs/dbraw/zinc/00/63/52/1022006352.db2.gz LZEFUYIIDUAZDE-HUUCEWRRSA-N 1 2 346.475 3.805 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1sccc1OC ZINC000506789443 1022012862 /nfs/dbraw/zinc/01/28/62/1022012862.db2.gz HRSOHOGYVWJTNG-UHFFFAOYSA-N 1 2 332.469 3.916 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1sccc1OC ZINC000506789443 1022012879 /nfs/dbraw/zinc/01/28/79/1022012879.db2.gz HRSOHOGYVWJTNG-UHFFFAOYSA-N 1 2 332.469 3.916 20 0 EHADLO Cc1cc(NCCCOc2cccc3cccnc32)nc(C2CC2)[nH+]1 ZINC000341504145 1022043648 /nfs/dbraw/zinc/04/36/48/1022043648.db2.gz RALBAJYRXMYSKF-UHFFFAOYSA-N 1 2 334.423 3.514 20 0 EHADLO CC(C)Cc1ncc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)s1 ZINC000341519312 1022054822 /nfs/dbraw/zinc/05/48/22/1022054822.db2.gz NWIPZLJUDIMJJO-CQSZACIVSA-N 1 2 342.867 3.957 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260313 1022061579 /nfs/dbraw/zinc/06/15/79/1022061579.db2.gz KXJXCPAOQWMGRK-KPZWWZAWSA-N 1 2 328.366 3.566 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000520260313 1022061594 /nfs/dbraw/zinc/06/15/94/1022061594.db2.gz KXJXCPAOQWMGRK-KPZWWZAWSA-N 1 2 328.366 3.566 20 0 EHADLO CCSc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000520246130 1022065239 /nfs/dbraw/zinc/06/52/39/1022065239.db2.gz LOXROHRDLAKAHM-UHFFFAOYSA-N 1 2 329.469 3.816 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214054 1022125055 /nfs/dbraw/zinc/12/50/55/1022125055.db2.gz NBIDALOWGRPEHE-XKQJLSEDSA-N 1 2 344.282 3.918 20 0 EHADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000517214054 1022125062 /nfs/dbraw/zinc/12/50/62/1022125062.db2.gz NBIDALOWGRPEHE-XKQJLSEDSA-N 1 2 344.282 3.918 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322700 1022151300 /nfs/dbraw/zinc/15/13/00/1022151300.db2.gz KRVIHMQXAQSCFX-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000441322700 1022151304 /nfs/dbraw/zinc/15/13/04/1022151304.db2.gz KRVIHMQXAQSCFX-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO O[C@H](C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccccc1 ZINC000894406464 1022157211 /nfs/dbraw/zinc/15/72/11/1022157211.db2.gz NOAKKBGFMPATQP-OAQYLSRUSA-N 1 2 347.462 3.954 20 0 EHADLO O[C@H](C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccccc1 ZINC000894406464 1022157217 /nfs/dbraw/zinc/15/72/17/1022157217.db2.gz NOAKKBGFMPATQP-OAQYLSRUSA-N 1 2 347.462 3.954 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)C[C@H](C)CC3)CCO2 ZINC000341539471 1022168854 /nfs/dbraw/zinc/16/88/54/1022168854.db2.gz BPOJVDCBAAMKHY-DOMZBBRYSA-N 1 2 344.480 3.890 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(C2CCCC2)n1 ZINC000891645487 1022201015 /nfs/dbraw/zinc/20/10/15/1022201015.db2.gz JUQUOCWHKHPVBQ-IBGZPJMESA-N 1 2 343.446 3.790 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(C2CCCC2)n1 ZINC000891645487 1022201021 /nfs/dbraw/zinc/20/10/21/1022201021.db2.gz JUQUOCWHKHPVBQ-IBGZPJMESA-N 1 2 343.446 3.790 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000441379918 1022201272 /nfs/dbraw/zinc/20/12/72/1022201272.db2.gz FMGFYGZFHSVFOQ-OAQYLSRUSA-N 1 2 341.451 3.618 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@]12CCOC2 ZINC000441379918 1022201285 /nfs/dbraw/zinc/20/12/85/1022201285.db2.gz FMGFYGZFHSVFOQ-OAQYLSRUSA-N 1 2 341.451 3.618 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000437840228 1022202943 /nfs/dbraw/zinc/20/29/43/1022202943.db2.gz VQQBVGLHRRGOKB-OAHLLOKOSA-N 1 2 337.448 3.552 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000437840228 1022202957 /nfs/dbraw/zinc/20/29/57/1022202957.db2.gz VQQBVGLHRRGOKB-OAHLLOKOSA-N 1 2 337.448 3.552 20 0 EHADLO CC[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1c(C)nn(C)c1C ZINC000638714000 1022203600 /nfs/dbraw/zinc/20/36/00/1022203600.db2.gz SHHCKGKYSCAEMS-WBVHZDCISA-N 1 2 330.480 3.517 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3occc3C(C)C)CC2)s1 ZINC000550324633 1022215022 /nfs/dbraw/zinc/21/50/22/1022215022.db2.gz YSQONKVMPDXFAI-UHFFFAOYSA-N 1 2 346.496 3.985 20 0 EHADLO Cc1cccc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000119415811 1033037262 /nfs/dbraw/zinc/03/72/62/1033037262.db2.gz HSJUPYHZMSTGLK-WMZOPIPTSA-N 1 2 325.456 3.658 20 0 EHADLO COCc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187725438 1022226246 /nfs/dbraw/zinc/22/62/46/1022226246.db2.gz TZGUQPPJTGGSQF-GOSISDBHSA-N 1 2 325.387 3.574 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@H]1CCc2ccccc21 ZINC000060843133 1033038313 /nfs/dbraw/zinc/03/83/13/1033038313.db2.gz IJQFCQOYJPJKGZ-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@H]1CCc2ccccc21 ZINC000060843133 1033038329 /nfs/dbraw/zinc/03/83/29/1033038329.db2.gz IJQFCQOYJPJKGZ-NRFANRHFSA-N 1 2 332.447 3.865 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1 ZINC000437898175 1022240392 /nfs/dbraw/zinc/24/03/92/1022240392.db2.gz TXBIKLOCKRNHSM-IAGOWNOFSA-N 1 2 337.467 3.578 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1 ZINC000437898175 1022240408 /nfs/dbraw/zinc/24/04/08/1022240408.db2.gz TXBIKLOCKRNHSM-IAGOWNOFSA-N 1 2 337.467 3.578 20 0 EHADLO O=C(Nc1cccc(C(F)F)c1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548322054 1022273796 /nfs/dbraw/zinc/27/37/96/1022273796.db2.gz OKERUXOQIYTGHB-SECBINFHSA-N 1 2 340.761 3.611 20 0 EHADLO Cc1scc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1C ZINC000631142640 1022290809 /nfs/dbraw/zinc/29/08/09/1022290809.db2.gz KBOIDMVMOQELRS-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO COC(=O)c1cc(NCc2cc(-n3cc[nH+]c3)cs2)c(C)cc1C ZINC000471809539 1022316733 /nfs/dbraw/zinc/31/67/33/1022316733.db2.gz KWPJLFSTVPECEY-UHFFFAOYSA-N 1 2 341.436 3.949 20 0 EHADLO CC1(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000346005886 1022317863 /nfs/dbraw/zinc/31/78/63/1022317863.db2.gz MIWCLXSIISNUPQ-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO CC1(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000346005886 1022317877 /nfs/dbraw/zinc/31/78/77/1022317877.db2.gz MIWCLXSIISNUPQ-HNNXBMFYSA-N 1 2 338.854 3.750 20 0 EHADLO c1ccc([C@H]2CSCC[N@H+]2Cc2nc3cccnc3s2)cc1 ZINC000341559478 1022332354 /nfs/dbraw/zinc/33/23/54/1022332354.db2.gz FQHJHJHWJOISEU-OAHLLOKOSA-N 1 2 327.478 3.981 20 0 EHADLO c1ccc([C@H]2CSCC[N@@H+]2Cc2nc3cccnc3s2)cc1 ZINC000341559478 1022332372 /nfs/dbraw/zinc/33/23/72/1022332372.db2.gz FQHJHJHWJOISEU-OAHLLOKOSA-N 1 2 327.478 3.981 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000438044843 1022345966 /nfs/dbraw/zinc/34/59/66/1022345966.db2.gz OABADRDXXMOOTM-MSOLQXFVSA-N 1 2 341.480 3.681 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000894984346 1022355452 /nfs/dbraw/zinc/35/54/52/1022355452.db2.gz XKONTDYCGHBBLF-AWEZNQCLSA-N 1 2 345.409 3.714 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000894984346 1022355469 /nfs/dbraw/zinc/35/54/69/1022355469.db2.gz XKONTDYCGHBBLF-AWEZNQCLSA-N 1 2 345.409 3.714 20 0 EHADLO Cc1noc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000341574420 1022356025 /nfs/dbraw/zinc/35/60/25/1022356025.db2.gz OLZPPXSIMRNUPX-OAHLLOKOSA-N 1 2 336.233 3.772 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938402 1033051370 /nfs/dbraw/zinc/05/13/70/1033051370.db2.gz QXWKCFDMXLYRGM-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938402 1033051383 /nfs/dbraw/zinc/05/13/83/1033051383.db2.gz QXWKCFDMXLYRGM-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124113436 1022445810 /nfs/dbraw/zinc/44/58/10/1022445810.db2.gz GUSOHPUGNGOKGA-ZFWWWQNUSA-N 1 2 346.500 3.570 20 0 EHADLO Cc1[nH]c(CNc2cc(C)cc(I)c2)[nH+]c1C ZINC000519553721 1022464939 /nfs/dbraw/zinc/46/49/39/1022464939.db2.gz POLYETLIVFSZIY-UHFFFAOYSA-N 1 2 341.196 3.552 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c1 ZINC000144390857 1033056371 /nfs/dbraw/zinc/05/63/71/1033056371.db2.gz SLKCGHMVLBAQLI-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO Cc1cccc(C[NH+](CCOCC2CC2)Cc2cccc(C)n2)n1 ZINC000085904898 1022473868 /nfs/dbraw/zinc/47/38/68/1022473868.db2.gz PYXCDMFRPIPTFU-UHFFFAOYSA-N 1 2 325.456 3.522 20 0 EHADLO Cc1ccc(C(C)(C)C[N@H+](C)Cn2ncn(C3CC3)c2=S)cc1 ZINC000172968288 1033057691 /nfs/dbraw/zinc/05/76/91/1033057691.db2.gz OVPIAKWVGRTKSN-UHFFFAOYSA-N 1 2 330.501 3.925 20 0 EHADLO Cc1ccc(C(C)(C)C[N@@H+](C)Cn2ncn(C3CC3)c2=S)cc1 ZINC000172968288 1033057706 /nfs/dbraw/zinc/05/77/06/1033057706.db2.gz OVPIAKWVGRTKSN-UHFFFAOYSA-N 1 2 330.501 3.925 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2csc(C(C)C)n2)CC1 ZINC000341596219 1022493249 /nfs/dbraw/zinc/49/32/49/1022493249.db2.gz DYNSJHGECTUREB-UHFFFAOYSA-N 1 2 345.512 3.593 20 0 EHADLO CCn1c(C)nn(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000172968280 1033058493 /nfs/dbraw/zinc/05/84/93/1033058493.db2.gz FHKZJFWCDVNCIR-UHFFFAOYSA-N 1 2 332.517 3.918 20 0 EHADLO CCn1c(C)nn(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000172968280 1033058510 /nfs/dbraw/zinc/05/85/10/1033058510.db2.gz FHKZJFWCDVNCIR-UHFFFAOYSA-N 1 2 332.517 3.918 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827910 1022511220 /nfs/dbraw/zinc/51/12/20/1022511220.db2.gz DKJXLSMXALHTNV-JXXFODFXSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827910 1022511227 /nfs/dbraw/zinc/51/12/27/1022511227.db2.gz DKJXLSMXALHTNV-JXXFODFXSA-N 1 2 349.478 3.831 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000425970222 1022522978 /nfs/dbraw/zinc/52/29/78/1022522978.db2.gz ZIAVMMZWCWMIBG-LBPRGKRZSA-N 1 2 326.824 3.979 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000425970222 1022522985 /nfs/dbraw/zinc/52/29/85/1022522985.db2.gz ZIAVMMZWCWMIBG-LBPRGKRZSA-N 1 2 326.824 3.979 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnc4onc(C)c4c3)CCO2)cc1 ZINC000894550921 1022537139 /nfs/dbraw/zinc/53/71/39/1022537139.db2.gz JASQMENUBKHFQL-IBGZPJMESA-N 1 2 337.423 3.667 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnc4onc(C)c4c3)CCO2)cc1 ZINC000894550921 1022537153 /nfs/dbraw/zinc/53/71/53/1022537153.db2.gz JASQMENUBKHFQL-IBGZPJMESA-N 1 2 337.423 3.667 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CCc1ccccc1 ZINC000438316053 1022538852 /nfs/dbraw/zinc/53/88/52/1022538852.db2.gz NYVUDUFOLBSRFU-DNVCBOLYSA-N 1 2 329.415 3.521 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(C)s2)c1C ZINC000051333811 1022547399 /nfs/dbraw/zinc/54/73/99/1022547399.db2.gz GILGNJPRKOVVQU-ZDUSSCGKSA-N 1 2 333.457 3.637 20 0 EHADLO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000581962127 1022548919 /nfs/dbraw/zinc/54/89/19/1022548919.db2.gz ZYBWSMXFUUHSPR-HNNXBMFYSA-N 1 2 348.450 3.543 20 0 EHADLO CCNC(=O)c1ccc(C)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438327730 1022566978 /nfs/dbraw/zinc/56/69/78/1022566978.db2.gz YLNWNVHWEYULCB-UHFFFAOYSA-N 1 2 348.450 3.602 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341622337 1022596294 /nfs/dbraw/zinc/59/62/94/1022596294.db2.gz XCBOAHVASFAQPG-KRWDZBQOSA-N 1 2 326.444 3.640 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438353814 1022599585 /nfs/dbraw/zinc/59/95/85/1022599585.db2.gz NZENBPWDDNUQJQ-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC000438353814 1022599596 /nfs/dbraw/zinc/59/95/96/1022599596.db2.gz NZENBPWDDNUQJQ-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO CC(C)(C)c1coc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000894610825 1022614989 /nfs/dbraw/zinc/61/49/89/1022614989.db2.gz RCWUNVBOWPQMDE-GOSISDBHSA-N 1 2 328.456 3.966 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1OC ZINC000638972175 1022640137 /nfs/dbraw/zinc/64/01/37/1022640137.db2.gz UCWHLAYYCJUSQC-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1OC ZINC000638972175 1022640146 /nfs/dbraw/zinc/64/01/46/1022640146.db2.gz UCWHLAYYCJUSQC-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000894631540 1022642438 /nfs/dbraw/zinc/64/24/38/1022642438.db2.gz FTMXAJAMOUJWKX-UHFFFAOYSA-N 1 2 345.342 3.565 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2F)[C@H](C)CO1 ZINC000441435011 1022662839 /nfs/dbraw/zinc/66/28/39/1022662839.db2.gz DHYFGBFXKLAJDY-OXQOHEQNSA-N 1 2 329.415 3.975 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2F)[C@H](C)CO1 ZINC000441435011 1022662843 /nfs/dbraw/zinc/66/28/43/1022662843.db2.gz DHYFGBFXKLAJDY-OXQOHEQNSA-N 1 2 329.415 3.975 20 0 EHADLO Fc1cnc(Cl)c(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000894663914 1022677536 /nfs/dbraw/zinc/67/75/36/1022677536.db2.gz NWKVBNCIFZFFQJ-UHFFFAOYSA-N 1 2 339.745 3.725 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3CCSC4(CCCCC4)C3)no2)cc1 ZINC000430776318 1022680359 /nfs/dbraw/zinc/68/03/59/1022680359.db2.gz OWTMLNKABBTVHJ-UHFFFAOYSA-N 1 2 329.469 3.988 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3CCSC4(CCCCC4)C3)no2)cc1 ZINC000430776318 1022680365 /nfs/dbraw/zinc/68/03/65/1022680365.db2.gz OWTMLNKABBTVHJ-UHFFFAOYSA-N 1 2 329.469 3.988 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CCn2ccnc21 ZINC000894666965 1022683302 /nfs/dbraw/zinc/68/33/02/1022683302.db2.gz DOMLMSPFLIACHW-LBPRGKRZSA-N 1 2 334.445 3.526 20 0 EHADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894668751 1022685402 /nfs/dbraw/zinc/68/54/02/1022685402.db2.gz WFUHGEVXHBPPGR-UHFFFAOYSA-N 1 2 336.414 3.633 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC34CCC4)n2)O1 ZINC000665009715 1022688593 /nfs/dbraw/zinc/68/85/93/1022688593.db2.gz RFBBDOXRHSOBOK-PVAVHDDUSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC34CCC4)n2)O1 ZINC000665009715 1022688604 /nfs/dbraw/zinc/68/86/04/1022688604.db2.gz RFBBDOXRHSOBOK-PVAVHDDUSA-N 1 2 339.439 3.689 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838174 1022714930 /nfs/dbraw/zinc/71/49/30/1022714930.db2.gz RBLNTQXJQJXWPV-NXHRZFHOSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838174 1022714940 /nfs/dbraw/zinc/71/49/40/1022714940.db2.gz RBLNTQXJQJXWPV-NXHRZFHOSA-N 1 2 329.488 3.644 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469503750 1022724821 /nfs/dbraw/zinc/72/48/21/1022724821.db2.gz TYRRIMKQBSCAEL-HXUWFJFHSA-N 1 2 336.435 3.688 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469503750 1022724839 /nfs/dbraw/zinc/72/48/39/1022724839.db2.gz TYRRIMKQBSCAEL-HXUWFJFHSA-N 1 2 336.435 3.688 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2occc2C(=O)OC)cc1OC ZINC000341636626 1022731830 /nfs/dbraw/zinc/73/18/30/1022731830.db2.gz IZKCLPMDHWLDBD-CYBMUJFWSA-N 1 2 347.411 3.714 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c(C)c[nH+]1 ZINC001266899841 1022836797 /nfs/dbraw/zinc/83/67/97/1022836797.db2.gz RCKPLLGRJQWILW-MRXNPFEDSA-N 1 2 326.440 3.958 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894773537 1022869867 /nfs/dbraw/zinc/86/98/67/1022869867.db2.gz WMFSRPQYPJLFGZ-QWHCGFSZSA-N 1 2 333.455 3.585 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C(F)F)CCCC1 ZINC000520455538 1022886551 /nfs/dbraw/zinc/88/65/51/1022886551.db2.gz KBAYZAYATAVTAM-UHFFFAOYSA-N 1 2 327.419 3.510 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)[nH]1 ZINC000430929831 1022890059 /nfs/dbraw/zinc/89/00/59/1022890059.db2.gz WOFGZTUQSFCVBB-IBGZPJMESA-N 1 2 340.467 3.538 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)[nH]1 ZINC000430929831 1022890075 /nfs/dbraw/zinc/89/00/75/1022890075.db2.gz WOFGZTUQSFCVBB-IBGZPJMESA-N 1 2 340.467 3.538 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441457799 1022893749 /nfs/dbraw/zinc/89/37/49/1022893749.db2.gz PCUOGGQBLKSJFO-OAHLLOKOSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441457799 1022893759 /nfs/dbraw/zinc/89/37/59/1022893759.db2.gz PCUOGGQBLKSJFO-OAHLLOKOSA-N 1 2 348.512 3.771 20 0 EHADLO CCC1(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000438659223 1022911035 /nfs/dbraw/zinc/91/10/35/1022911035.db2.gz XSEJALJUOHYZQV-INIZCTEOSA-N 1 2 345.487 3.782 20 0 EHADLO COC(=O)c1cnc(C[N@H+](Cc2ccc(OC)cc2)C(C)(C)C)s1 ZINC000894785728 1022912266 /nfs/dbraw/zinc/91/22/66/1022912266.db2.gz ANVIJTZOAPPXIU-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO COC(=O)c1cnc(C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)s1 ZINC000894785728 1022912280 /nfs/dbraw/zinc/91/22/80/1022912280.db2.gz ANVIJTZOAPPXIU-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO CSc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCCC2)cc1 ZINC000438730225 1022949315 /nfs/dbraw/zinc/94/93/15/1022949315.db2.gz HSNLSBABVJSMBO-UHFFFAOYSA-N 1 2 347.484 3.928 20 0 EHADLO C[C@@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000438740042 1022962596 /nfs/dbraw/zinc/96/25/96/1022962596.db2.gz WQFODSYNUWHARP-QAPCUYQASA-N 1 2 341.455 3.863 20 0 EHADLO COC[C@@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000520463066 1022965785 /nfs/dbraw/zinc/96/57/85/1022965785.db2.gz OVUSCDAVGDEXNA-MOPGFXCFSA-N 1 2 332.875 3.920 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@H]2CC[C@@H]2c2ccc(Cl)cc2F)n1 ZINC000518095299 1022987636 /nfs/dbraw/zinc/98/76/36/1022987636.db2.gz VXAMYRRQDCLRJA-OCCSQVGLSA-N 1 2 346.793 3.848 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)cc1F ZINC000426148629 1022997062 /nfs/dbraw/zinc/99/70/62/1022997062.db2.gz LYGCAWKHCVTPSG-UHFFFAOYSA-N 1 2 332.419 3.877 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)cc1F ZINC000426148629 1022997065 /nfs/dbraw/zinc/99/70/65/1022997065.db2.gz LYGCAWKHCVTPSG-UHFFFAOYSA-N 1 2 332.419 3.877 20 0 EHADLO COc1ccc2ccc(NC3CCN(C(=O)C(C)(C)C)CC3)[nH+]c2c1 ZINC000891839418 1023024155 /nfs/dbraw/zinc/02/41/55/1023024155.db2.gz DRUUDCALPNNLSP-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CCO1 ZINC000506379123 1023036528 /nfs/dbraw/zinc/03/65/28/1023036528.db2.gz FIIGZWNKEJKMSR-SFHVURJKSA-N 1 2 347.890 3.812 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CCO1 ZINC000506379123 1023036538 /nfs/dbraw/zinc/03/65/38/1023036538.db2.gz FIIGZWNKEJKMSR-SFHVURJKSA-N 1 2 347.890 3.812 20 0 EHADLO COCc1noc([C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000933818272 1023040131 /nfs/dbraw/zinc/04/01/31/1023040131.db2.gz GNWZNSDNOOUCAC-ZDUSSCGKSA-N 1 2 338.411 3.548 20 0 EHADLO COCc1noc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000933818272 1023040147 /nfs/dbraw/zinc/04/01/47/1023040147.db2.gz GNWZNSDNOOUCAC-ZDUSSCGKSA-N 1 2 338.411 3.548 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(OC)ccc1F ZINC000506962847 1023042410 /nfs/dbraw/zinc/04/24/10/1023042410.db2.gz QDXRHAHFSCQSLR-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(OC)ccc1F ZINC000506962847 1023042419 /nfs/dbraw/zinc/04/24/19/1023042419.db2.gz QDXRHAHFSCQSLR-UHFFFAOYSA-N 1 2 344.430 3.993 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)CC(C)C ZINC000476310538 1033107657 /nfs/dbraw/zinc/10/76/57/1033107657.db2.gz NXSRARFAZFKHIK-UHFFFAOYSA-N 1 2 337.414 3.811 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(C)C ZINC000438983073 1023190488 /nfs/dbraw/zinc/19/04/88/1023190488.db2.gz GRRYNPCAHMGUSM-OCCSQVGLSA-N 1 2 349.276 3.990 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000190422779 1023199269 /nfs/dbraw/zinc/19/92/69/1023199269.db2.gz JCRGAONCQBQEMC-IXDOHACOSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1ccccc1C1(C(=O)N(C)CCCn2cc[nH+]c2)CCCCC1 ZINC000427103225 1023215542 /nfs/dbraw/zinc/21/55/42/1023215542.db2.gz VERGEPXJLCHXSX-UHFFFAOYSA-N 1 2 339.483 3.942 20 0 EHADLO Cc1sccc1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000507308693 1023237052 /nfs/dbraw/zinc/23/70/52/1023237052.db2.gz FXWCRYKQPXAZNX-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000439046391 1023240637 /nfs/dbraw/zinc/24/06/37/1023240637.db2.gz XKBXWOGUFOWPGC-UWJYYQICSA-N 1 2 347.393 3.854 20 0 EHADLO CCN(CC)c1ccc(-c2noc(-c3ccn4c(C)c[nH+]c4c3)n2)cn1 ZINC000518397037 1023271995 /nfs/dbraw/zinc/27/19/95/1023271995.db2.gz NNSDWYTVBBPHMQ-UHFFFAOYSA-N 1 2 348.410 3.601 20 0 EHADLO CC(C)[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(F)ccc1F ZINC000684555191 1023282242 /nfs/dbraw/zinc/28/22/42/1023282242.db2.gz GKMOKWKYLJSECY-SFHVURJKSA-N 1 2 335.398 3.598 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000520492357 1023287931 /nfs/dbraw/zinc/28/79/31/1023287931.db2.gz HTXPWJOSBOSNBP-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000520492357 1023287940 /nfs/dbraw/zinc/28/79/40/1023287940.db2.gz HTXPWJOSBOSNBP-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO Cc1c(Cl)cc(F)c(NC(=O)N(C)CCCn2cc[nH+]c2)c1F ZINC000341791666 1023321436 /nfs/dbraw/zinc/32/14/36/1023321436.db2.gz WOEDIUJXDGQHJC-UHFFFAOYSA-N 1 2 342.777 3.677 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2nc(CC)no2)C(C)C)cc1OCC ZINC000127398810 1023387926 /nfs/dbraw/zinc/38/79/26/1023387926.db2.gz DXWMVVNYWIJTBK-IBGZPJMESA-N 1 2 347.459 3.916 20 0 EHADLO CCOc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341851909 1023459972 /nfs/dbraw/zinc/45/99/72/1023459972.db2.gz ISVRDOJBLBOFEU-LJQANCHMSA-N 1 2 349.434 3.647 20 0 EHADLO CCC1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000471968891 1023483829 /nfs/dbraw/zinc/48/38/29/1023483829.db2.gz GZNZTXRQXSFUSX-UHFFFAOYSA-N 1 2 344.434 3.781 20 0 EHADLO CCOc1ccc(-c2nc(C[N@@H+]3CCOCC34CCCC4)co2)cc1 ZINC000535677160 1023551167 /nfs/dbraw/zinc/55/11/67/1023551167.db2.gz VOQNYQOYOZPXSW-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO CCOc1ccc(-c2nc(C[N@H+]3CCOCC34CCCC4)co2)cc1 ZINC000535677160 1023551170 /nfs/dbraw/zinc/55/11/70/1023551170.db2.gz VOQNYQOYOZPXSW-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)c(C)c[nH+]1 ZINC000535748613 1023605135 /nfs/dbraw/zinc/60/51/35/1023605135.db2.gz OENOKDSXQAIOBY-JTQLQIEISA-N 1 2 339.258 3.687 20 0 EHADLO CCOC(=O)C[N@H+](CC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000535797212 1023645324 /nfs/dbraw/zinc/64/53/24/1023645324.db2.gz URFWRKSWMZALDC-UHFFFAOYSA-N 1 2 327.424 3.747 20 0 EHADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000535797212 1023645328 /nfs/dbraw/zinc/64/53/28/1023645328.db2.gz URFWRKSWMZALDC-UHFFFAOYSA-N 1 2 327.424 3.747 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001143417531 1023648705 /nfs/dbraw/zinc/64/87/05/1023648705.db2.gz GJLHYKANNLIOOU-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001143417531 1023648708 /nfs/dbraw/zinc/64/87/08/1023648708.db2.gz GJLHYKANNLIOOU-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000607471518 1033151837 /nfs/dbraw/zinc/15/18/37/1033151837.db2.gz QAFGUUYIFQUZCI-XHSDSOJGSA-N 1 2 342.439 3.631 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000607471518 1033151842 /nfs/dbraw/zinc/15/18/42/1033151842.db2.gz QAFGUUYIFQUZCI-XHSDSOJGSA-N 1 2 342.439 3.631 20 0 EHADLO CC[C@@H](S[C@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000341905124 1023677259 /nfs/dbraw/zinc/67/72/59/1023677259.db2.gz VGFBUTPKSPHHTD-RHSMWYFYSA-N 1 2 338.492 3.563 20 0 EHADLO CC(C)[C@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CS1 ZINC000277058618 1023727124 /nfs/dbraw/zinc/72/71/24/1023727124.db2.gz DCAMWYBNSACROM-CRAIPNDOSA-N 1 2 331.485 3.904 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c1 ZINC000684606483 1023731221 /nfs/dbraw/zinc/73/12/21/1023731221.db2.gz YKCXIWCRTMVOTA-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341991471 1023745464 /nfs/dbraw/zinc/74/54/64/1023745464.db2.gz OBFDVOPYMCXCEF-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341991471 1023745468 /nfs/dbraw/zinc/74/54/68/1023745468.db2.gz OBFDVOPYMCXCEF-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000342057437 1023809790 /nfs/dbraw/zinc/80/97/90/1023809790.db2.gz HIHHNMYSBTWPRD-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000342061860 1023812962 /nfs/dbraw/zinc/81/29/62/1023812962.db2.gz ZFHCZXPLYGNBRY-ZDUSSCGKSA-N 1 2 341.361 3.950 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@@]1=O ZINC000277142957 1023828730 /nfs/dbraw/zinc/82/87/30/1023828730.db2.gz JEVKLKCOJLELJT-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@@]1=O ZINC000277142957 1023828737 /nfs/dbraw/zinc/82/87/37/1023828737.db2.gz JEVKLKCOJLELJT-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO CCOc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469493 1033174857 /nfs/dbraw/zinc/17/48/57/1033174857.db2.gz QTICNPRUIRBDKY-INIZCTEOSA-N 1 2 330.432 3.518 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247696613 1023898841 /nfs/dbraw/zinc/89/88/41/1023898841.db2.gz WVXPOSRREGIIAT-VFNWGFHPSA-N 1 2 333.435 3.900 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247696613 1023898844 /nfs/dbraw/zinc/89/88/44/1023898844.db2.gz WVXPOSRREGIIAT-VFNWGFHPSA-N 1 2 333.435 3.900 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000176222772 1023900901 /nfs/dbraw/zinc/90/09/01/1023900901.db2.gz XVKGVEMARFFAMV-NTCAYCPXSA-N 1 2 335.382 3.731 20 0 EHADLO O=C1[C@H]([NH+]2CCC(F)(F)CC2)CCN1c1ccccc1C(F)(F)F ZINC000684625902 1023906772 /nfs/dbraw/zinc/90/67/72/1023906772.db2.gz MHZJRXIJDZBWFN-CYBMUJFWSA-N 1 2 348.315 3.542 20 0 EHADLO CC(C)Sc1ccc([C@H](C)NC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000458319258 1023935241 /nfs/dbraw/zinc/93/52/41/1023935241.db2.gz OZIWEESGAZNZLO-AWEZNQCLSA-N 1 2 346.500 3.524 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000458327124 1023941452 /nfs/dbraw/zinc/94/14/52/1023941452.db2.gz AADMRGNZFTUFMT-FQEVSTJZSA-N 1 2 339.483 3.949 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000728419995 1023950761 /nfs/dbraw/zinc/95/07/61/1023950761.db2.gz UMHLKENFPWXRAP-UTCJRWHESA-N 1 2 346.883 3.759 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468321 1033174759 /nfs/dbraw/zinc/17/47/59/1033174759.db2.gz FOEQJSGCRAZJNV-KRWDZBQOSA-N 1 2 344.459 3.907 20 0 EHADLO Nc1nc(N[C@H](c2nccs2)c2ccccc2)[nH+]c2ccccc12 ZINC000133444974 1023983865 /nfs/dbraw/zinc/98/38/65/1023983865.db2.gz WGSFXWZUHOCORR-HNNXBMFYSA-N 1 2 333.420 3.870 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)[nH]1 ZINC000277175302 1023996062 /nfs/dbraw/zinc/99/60/62/1023996062.db2.gz IEQNAQISTDFZCI-NWDGAFQWSA-N 1 2 328.416 3.924 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)cc1F ZINC000046469193 1033175487 /nfs/dbraw/zinc/17/54/87/1033175487.db2.gz QMOJCMOJKOLHTG-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO O=C(c1cc2c(s1)CCC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514000821 1024042870 /nfs/dbraw/zinc/04/28/70/1024042870.db2.gz BNUPJULOHQFPAN-OAHLLOKOSA-N 1 2 346.883 3.677 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000434458988 1024049986 /nfs/dbraw/zinc/04/99/86/1024049986.db2.gz IQQSTLLSZQDQMS-OAHLLOKOSA-N 1 2 347.528 3.859 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccncc3)n2)cc1F ZINC000151105749 1024050979 /nfs/dbraw/zinc/05/09/79/1024050979.db2.gz PHRYCPVHVKRDTK-STQMWFEESA-N 1 2 326.375 3.991 20 0 EHADLO Fc1ccc(Br)c2[nH+]ccc(NCc3nccs3)c12 ZINC000443512980 1024061846 /nfs/dbraw/zinc/06/18/46/1024061846.db2.gz VDIVCZPBRDPGTA-UHFFFAOYSA-N 1 2 338.205 3.627 20 0 EHADLO CCCn1cc(C[NH2+][C@H](c2ccco2)c2ccc(OC)cc2)cn1 ZINC000449767844 1033181584 /nfs/dbraw/zinc/18/15/84/1033181584.db2.gz BCBXWJMJXVPEEO-IBGZPJMESA-N 1 2 325.412 3.774 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(OC(F)(F)F)c3)[nH+]c12 ZINC000522237404 1024095097 /nfs/dbraw/zinc/09/50/97/1024095097.db2.gz QWRXXLXKRBCPKL-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ncc(Br)s1 ZINC000434496145 1024097035 /nfs/dbraw/zinc/09/70/35/1024097035.db2.gz FZUCNYACQYJAHH-ZDUSSCGKSA-N 1 2 333.295 3.687 20 0 EHADLO CCC[C@@]1(COC)CCC[N@H+]1Cc1ncc(Br)s1 ZINC000434496145 1024097055 /nfs/dbraw/zinc/09/70/55/1024097055.db2.gz FZUCNYACQYJAHH-ZDUSSCGKSA-N 1 2 333.295 3.687 20 0 EHADLO C[C@@]12C[N@H+](Cc3ncc(Br)s3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449451216 1024143046 /nfs/dbraw/zinc/14/30/46/1024143046.db2.gz QHXASNOLKILXLL-ZHPDPMBESA-N 1 2 325.275 3.550 20 0 EHADLO C[C@@]12C[N@@H+](Cc3ncc(Br)s3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449451216 1024143053 /nfs/dbraw/zinc/14/30/53/1024143053.db2.gz QHXASNOLKILXLL-ZHPDPMBESA-N 1 2 325.275 3.550 20 0 EHADLO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000152346049 1024146586 /nfs/dbraw/zinc/14/65/86/1024146586.db2.gz QJKQTSSXNOAQBH-UHFFFAOYSA-N 1 2 341.411 3.824 20 0 EHADLO CCCN(CC1CC1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443572781 1024159020 /nfs/dbraw/zinc/15/90/20/1024159020.db2.gz GKDDZDPHBOYAEM-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CCCN(CC1CC1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443572781 1024159033 /nfs/dbraw/zinc/15/90/33/1024159033.db2.gz GKDDZDPHBOYAEM-UHFFFAOYSA-N 1 2 349.906 3.530 20 0 EHADLO CN(C)C(=O)C1(CNc2cc[nH+]c3c(Cl)cccc23)CCCC1 ZINC000342138891 1024213010 /nfs/dbraw/zinc/21/30/10/1024213010.db2.gz PAWMEKAZLSZVGX-UHFFFAOYSA-N 1 2 331.847 3.949 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CC[NH2+]1 ZINC000505452878 1024236611 /nfs/dbraw/zinc/23/66/11/1024236611.db2.gz GIDQBAJFPWRYSN-VQIMIIECSA-N 1 2 344.499 3.775 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CCC1 ZINC000602833421 1033198097 /nfs/dbraw/zinc/19/80/97/1033198097.db2.gz ZEOMPOJHESZKEP-AWEZNQCLSA-N 1 2 328.412 3.566 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1oc(-c2ccccc2)nc1C)C1CCC1 ZINC000602833421 1033198104 /nfs/dbraw/zinc/19/81/04/1033198104.db2.gz ZEOMPOJHESZKEP-AWEZNQCLSA-N 1 2 328.412 3.566 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)cn21 ZINC000443639546 1024289135 /nfs/dbraw/zinc/28/91/35/1024289135.db2.gz KYNTYIMJQPWMMW-MRXNPFEDSA-N 1 2 341.842 3.949 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)cn21 ZINC000443639546 1024289148 /nfs/dbraw/zinc/28/91/48/1024289148.db2.gz KYNTYIMJQPWMMW-MRXNPFEDSA-N 1 2 341.842 3.949 20 0 EHADLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1OC ZINC000342176687 1024315781 /nfs/dbraw/zinc/31/57/81/1024315781.db2.gz XDYNXKSFLCOQMK-UHFFFAOYSA-N 1 2 341.386 3.949 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CCC[C@@]1(C)O ZINC001141769679 1024319222 /nfs/dbraw/zinc/31/92/22/1024319222.db2.gz XRXNWXNVJTYTKV-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CCC[C@@]1(C)O ZINC001141769679 1024319242 /nfs/dbraw/zinc/31/92/42/1024319242.db2.gz XRXNWXNVJTYTKV-ZUZCIYMTSA-N 1 2 348.231 3.710 20 0 EHADLO CC(C)c1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000783483917 1024330922 /nfs/dbraw/zinc/33/09/22/1024330922.db2.gz MDIAAWIOYALCMW-UHFFFAOYSA-N 1 2 327.409 3.809 20 0 EHADLO CCC1(CC)CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329960104 1024335811 /nfs/dbraw/zinc/33/58/11/1024335811.db2.gz QXNVGJQFDCOHAE-UHFFFAOYSA-N 1 2 326.444 3.700 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)[nH]1 ZINC000277252467 1024342023 /nfs/dbraw/zinc/34/20/23/1024342023.db2.gz OBTVGOSUKMHCGD-AAEUAGOBSA-N 1 2 332.496 3.737 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccco1 ZINC000101596904 1024342177 /nfs/dbraw/zinc/34/21/77/1024342177.db2.gz SXGQIQYETBIORM-INIZCTEOSA-N 1 2 331.412 3.554 20 0 EHADLO CCCc1cc(N2CCC(Nc3cccc[nH+]3)CC2)nc(Cl)n1 ZINC000895346106 1024343122 /nfs/dbraw/zinc/34/31/22/1024343122.db2.gz CYOYEPZLTOWCNR-UHFFFAOYSA-N 1 2 331.851 3.558 20 0 EHADLO Clc1ccc2nc(N3CCC(Nc4cccc[nH+]4)CC3)cnc2c1 ZINC000895346243 1024343872 /nfs/dbraw/zinc/34/38/72/1024343872.db2.gz DXBPJVOSVRRKKW-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO CC1(C)C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 ZINC000430105512 1024353043 /nfs/dbraw/zinc/35/30/43/1024353043.db2.gz TZIVLPHRLZBYQL-IBGZPJMESA-N 1 2 336.414 3.990 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 ZINC000430105512 1024353061 /nfs/dbraw/zinc/35/30/61/1024353061.db2.gz TZIVLPHRLZBYQL-IBGZPJMESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1CCCC[C@@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000520656032 1024355087 /nfs/dbraw/zinc/35/50/87/1024355087.db2.gz DMJYQEQLWPDJEG-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000895357658 1024379970 /nfs/dbraw/zinc/37/99/70/1024379970.db2.gz HLIAZHXRQGKBBK-UHFFFAOYSA-N 1 2 335.400 3.505 20 0 EHADLO CC[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425185532 1024417552 /nfs/dbraw/zinc/41/75/52/1024417552.db2.gz HAIBIHHLFZJKQH-WMZOPIPTSA-N 1 2 325.456 3.970 20 0 EHADLO CC(C)Oc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000191584619 1024427230 /nfs/dbraw/zinc/42/72/30/1024427230.db2.gz QXNDRACROAPOHS-UHFFFAOYSA-N 1 2 335.407 3.936 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000892035501 1024430044 /nfs/dbraw/zinc/43/00/44/1024430044.db2.gz AMLCIVBNRBMFLO-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1cnc(CC(F)(F)F)s1)CC2 ZINC000892035501 1024430049 /nfs/dbraw/zinc/43/00/49/1024430049.db2.gz AMLCIVBNRBMFLO-UHFFFAOYSA-N 1 2 330.350 3.945 20 0 EHADLO CCn1nc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c2ccccc21 ZINC000472036984 1024434045 /nfs/dbraw/zinc/43/40/45/1024434045.db2.gz GUZOLKKKJZDYLZ-UHFFFAOYSA-N 1 2 338.455 3.918 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]c(-c2ccccc2)n1 ZINC000346143069 1024443376 /nfs/dbraw/zinc/44/33/76/1024443376.db2.gz PIPWHVUKRZIULP-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505543723 1024456399 /nfs/dbraw/zinc/45/63/99/1024456399.db2.gz VDCROXPZPBOSMX-JSFADZTLSA-N 1 2 344.474 3.905 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c(F)c1 ZINC000472328206 1033212682 /nfs/dbraw/zinc/21/26/82/1033212682.db2.gz PYGFLBRPWSUZMR-GOSISDBHSA-N 1 2 329.419 3.638 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(F)c1 ZINC000472328206 1033212698 /nfs/dbraw/zinc/21/26/98/1033212698.db2.gz PYGFLBRPWSUZMR-GOSISDBHSA-N 1 2 329.419 3.638 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000614656729 1024471726 /nfs/dbraw/zinc/47/17/26/1024471726.db2.gz FDQGYTDWOPPIAF-QZTJIDSGSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000459132308 1024479494 /nfs/dbraw/zinc/47/94/94/1024479494.db2.gz BUKIYCVBJMVVFT-FPSMNIFISA-N 1 2 332.492 3.690 20 0 EHADLO CS[C@H]1CCCCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346166457 1024480503 /nfs/dbraw/zinc/48/05/03/1024480503.db2.gz JHEVKPYTFBVPIO-AWEZNQCLSA-N 1 2 339.574 3.627 20 0 EHADLO CS[C@H]1CCCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346166457 1024480510 /nfs/dbraw/zinc/48/05/10/1024480510.db2.gz JHEVKPYTFBVPIO-AWEZNQCLSA-N 1 2 339.574 3.627 20 0 EHADLO O=C([C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1)N1CCCC1 ZINC000342229766 1024482896 /nfs/dbraw/zinc/48/28/96/1024482896.db2.gz VHJPMUOUVHZRKT-CQSZACIVSA-N 1 2 343.858 3.727 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)s1 ZINC000505559711 1024483791 /nfs/dbraw/zinc/48/37/91/1024483791.db2.gz XEMVPLNKIDMJID-OAHLLOKOSA-N 1 2 346.471 3.971 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1OC(C)C ZINC000427627016 1024492411 /nfs/dbraw/zinc/49/24/11/1024492411.db2.gz WGLTWWNZBCCQMQ-LJQANCHMSA-N 1 2 338.451 3.995 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1OC(C)C ZINC000427627016 1024492417 /nfs/dbraw/zinc/49/24/17/1024492417.db2.gz WGLTWWNZBCCQMQ-LJQANCHMSA-N 1 2 338.451 3.995 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277301931 1024511361 /nfs/dbraw/zinc/51/13/61/1024511361.db2.gz BDLRSHIACCOEFE-UPCLLVRISA-N 1 2 343.492 3.563 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277301931 1024511370 /nfs/dbraw/zinc/51/13/70/1024511370.db2.gz BDLRSHIACCOEFE-UPCLLVRISA-N 1 2 343.492 3.563 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165844717 1024530640 /nfs/dbraw/zinc/53/06/40/1024530640.db2.gz KJLURCHUJGEQMO-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000346275767 1024566565 /nfs/dbraw/zinc/56/65/65/1024566565.db2.gz UQIXBLVUWNQVRD-QGZVFWFLSA-N 1 2 340.467 3.754 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000346275767 1024566575 /nfs/dbraw/zinc/56/65/75/1024566575.db2.gz UQIXBLVUWNQVRD-QGZVFWFLSA-N 1 2 340.467 3.754 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c(OC)c1OC ZINC000391834389 1024576263 /nfs/dbraw/zinc/57/62/63/1024576263.db2.gz IOZZUPQQZKNQAN-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO C[C@]1([C@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)COC(=O)N1 ZINC000895532644 1024589176 /nfs/dbraw/zinc/58/91/76/1024589176.db2.gz PCPNZARGCIGAMV-KPZWWZAWSA-N 1 2 345.830 3.603 20 0 EHADLO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](O)C1 ZINC000114485482 1024600525 /nfs/dbraw/zinc/60/05/25/1024600525.db2.gz BSQKRBIDJFDXQS-QPUJVOFHSA-N 1 2 327.268 3.852 20 0 EHADLO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H](O)C1 ZINC000114485482 1024600533 /nfs/dbraw/zinc/60/05/33/1024600533.db2.gz BSQKRBIDJFDXQS-QPUJVOFHSA-N 1 2 327.268 3.852 20 0 EHADLO CSc1cc(C)c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)o1 ZINC000665397390 1024620500 /nfs/dbraw/zinc/62/05/00/1024620500.db2.gz BJHDGAYAZUJNTH-UHFFFAOYSA-N 1 2 344.480 3.576 20 0 EHADLO CCSc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343341079 1024623427 /nfs/dbraw/zinc/62/34/27/1024623427.db2.gz IOEJZIBCFYFXQF-UHFFFAOYSA-N 1 2 338.436 3.691 20 0 EHADLO COCC[N@H+](CCc1ccccc1)Cc1ncc(C(F)(F)F)s1 ZINC000435123903 1024635490 /nfs/dbraw/zinc/63/54/90/1024635490.db2.gz JZBCYMHPOYMKSG-UHFFFAOYSA-N 1 2 344.402 3.853 20 0 EHADLO COCC[N@@H+](CCc1ccccc1)Cc1ncc(C(F)(F)F)s1 ZINC000435123903 1024635495 /nfs/dbraw/zinc/63/54/95/1024635495.db2.gz JZBCYMHPOYMKSG-UHFFFAOYSA-N 1 2 344.402 3.853 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@@H]1CO ZINC001143430058 1024646813 /nfs/dbraw/zinc/64/68/13/1024646813.db2.gz YVIIHCQLNHBZHT-GXFFZTMASA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@@H]1CO ZINC001143430058 1024646825 /nfs/dbraw/zinc/64/68/25/1024646825.db2.gz YVIIHCQLNHBZHT-GXFFZTMASA-N 1 2 337.769 3.831 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C)c1F ZINC000156917302 1024652547 /nfs/dbraw/zinc/65/25/47/1024652547.db2.gz VHGNFGJGGNFXSD-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([S@@](C)=O)cc1 ZINC000281109142 1024665168 /nfs/dbraw/zinc/66/51/68/1024665168.db2.gz LRYNJQCEHRPZKW-XQHREBAHSA-N 1 2 345.361 3.831 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C3CCC3)c2)[C@H](C)CO1 ZINC000892098487 1024675960 /nfs/dbraw/zinc/67/59/60/1024675960.db2.gz FFVICIYPEDSKQY-UZLBHIALSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)[C@H](C)CO1 ZINC000892098487 1024675964 /nfs/dbraw/zinc/67/59/64/1024675964.db2.gz FFVICIYPEDSKQY-UZLBHIALSA-N 1 2 325.456 3.879 20 0 EHADLO COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000892098785 1024681765 /nfs/dbraw/zinc/68/17/65/1024681765.db2.gz PMZFRLSPTKWJEP-APWZRJJASA-N 1 2 345.439 3.575 20 0 EHADLO COCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000892098785 1024681773 /nfs/dbraw/zinc/68/17/73/1024681773.db2.gz PMZFRLSPTKWJEP-APWZRJJASA-N 1 2 345.439 3.575 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c[nH+]1 ZINC000895639060 1024683240 /nfs/dbraw/zinc/68/32/40/1024683240.db2.gz YHNHWDZRYUEPAW-OAHLLOKOSA-N 1 2 329.444 3.591 20 0 EHADLO COCc1cccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000346376821 1024692439 /nfs/dbraw/zinc/69/24/39/1024692439.db2.gz BHWYEWQFSFWOJX-UHFFFAOYSA-N 1 2 346.390 3.660 20 0 EHADLO COc1cncc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885168 1024695525 /nfs/dbraw/zinc/69/55/25/1024695525.db2.gz LUWOFMSDSWKBCU-DLBZAZTESA-N 1 2 336.395 3.696 20 0 EHADLO Cc1ncsc1/C=C\c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346380722 1024696361 /nfs/dbraw/zinc/69/63/61/1024696361.db2.gz FHLAGBDSAXVFGK-WAYWQWQTSA-N 1 2 335.392 3.858 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000346442488 1024737024 /nfs/dbraw/zinc/73/70/24/1024737024.db2.gz UPBPGXXSNDOFLL-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000346442488 1024737034 /nfs/dbraw/zinc/73/70/34/1024737034.db2.gz UPBPGXXSNDOFLL-QGZVFWFLSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccsc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474319826 1024740618 /nfs/dbraw/zinc/74/06/18/1024740618.db2.gz YRBNGAGPAFWBNF-QGZVFWFLSA-N 1 2 346.471 3.867 20 0 EHADLO Cc1ccsc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474319826 1024740626 /nfs/dbraw/zinc/74/06/26/1024740626.db2.gz YRBNGAGPAFWBNF-QGZVFWFLSA-N 1 2 346.471 3.867 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC[C@H]1C(F)F ZINC000425317371 1024743089 /nfs/dbraw/zinc/74/30/89/1024743089.db2.gz FRUDWSXKICRLKJ-GJZGRUSLSA-N 1 2 333.382 3.578 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)s1 ZINC000607654570 1033237237 /nfs/dbraw/zinc/23/72/37/1033237237.db2.gz NDEPUHLQCZBMOL-HOTGVXAUSA-N 1 2 334.529 3.781 20 0 EHADLO CC(C)c1ccc(SCC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000594176461 1033237362 /nfs/dbraw/zinc/23/73/62/1033237362.db2.gz HGKLGJJCOIJXMV-UHFFFAOYSA-N 1 2 342.464 3.587 20 0 EHADLO CCC[N@H+](Cc1cncn1C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000425329953 1024767903 /nfs/dbraw/zinc/76/79/03/1024767903.db2.gz VFEZKZJENXZJAX-MRXNPFEDSA-N 1 2 328.460 3.703 20 0 EHADLO CCC[N@@H+](Cc1cncn1C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000425329953 1024767915 /nfs/dbraw/zinc/76/79/15/1024767915.db2.gz VFEZKZJENXZJAX-MRXNPFEDSA-N 1 2 328.460 3.703 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(F)F ZINC000895724227 1024769614 /nfs/dbraw/zinc/76/96/14/1024769614.db2.gz DBCIKPWLRAAFIY-LEWSCRJBSA-N 1 2 347.247 3.828 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000346464340 1024775705 /nfs/dbraw/zinc/77/57/05/1024775705.db2.gz DYGAWRMIWSMFNV-NSHDSACASA-N 1 2 343.349 3.723 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000346464340 1024775719 /nfs/dbraw/zinc/77/57/19/1024775719.db2.gz DYGAWRMIWSMFNV-NSHDSACASA-N 1 2 343.349 3.723 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1csc2ccccc12 ZINC000346485329 1024793653 /nfs/dbraw/zinc/79/36/53/1024793653.db2.gz MGLOQSYBELPRFF-MRXNPFEDSA-N 1 2 327.453 3.815 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1csc2ccccc12 ZINC000346485329 1024793658 /nfs/dbraw/zinc/79/36/58/1024793658.db2.gz MGLOQSYBELPRFF-MRXNPFEDSA-N 1 2 327.453 3.815 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3noc4c3CCCC4)s2)o1 ZINC000342308170 1024795090 /nfs/dbraw/zinc/79/50/90/1024795090.db2.gz NCTZUKHNOWKNMH-UHFFFAOYSA-N 1 2 329.425 3.868 20 0 EHADLO CC1(CC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000435336921 1024808156 /nfs/dbraw/zinc/80/81/56/1024808156.db2.gz RPJDCUAJKWDUJH-UHFFFAOYSA-N 1 2 331.847 3.756 20 0 EHADLO CCc1cccnc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000346499739 1024810674 /nfs/dbraw/zinc/81/06/74/1024810674.db2.gz CKPFWOJGSUDARD-IBGZPJMESA-N 1 2 348.450 3.629 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC001140536642 1024814535 /nfs/dbraw/zinc/81/45/35/1024814535.db2.gz IFPMAIPXZRDHER-CHWSQXEVSA-N 1 2 325.733 3.614 20 0 EHADLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC001140536642 1024814543 /nfs/dbraw/zinc/81/45/43/1024814543.db2.gz IFPMAIPXZRDHER-CHWSQXEVSA-N 1 2 325.733 3.614 20 0 EHADLO CC1=C(Br)C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000281306185 1024867539 /nfs/dbraw/zinc/86/75/39/1024867539.db2.gz XJNXNDWVXYQLNN-UHFFFAOYSA-N 1 2 349.276 3.887 20 0 EHADLO CC1=C(Br)C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000281306185 1024867556 /nfs/dbraw/zinc/86/75/56/1024867556.db2.gz XJNXNDWVXYQLNN-UHFFFAOYSA-N 1 2 349.276 3.887 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)c2c1 ZINC000895820361 1024875189 /nfs/dbraw/zinc/87/51/89/1024875189.db2.gz RKOAPFHEOFEVEL-UHFFFAOYSA-N 1 2 345.321 3.818 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)o1 ZINC000342324726 1024890964 /nfs/dbraw/zinc/89/09/64/1024890964.db2.gz JDEHLVAHXMCEBT-NXEZZACHSA-N 1 2 329.322 3.942 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000895850229 1024911147 /nfs/dbraw/zinc/91/11/47/1024911147.db2.gz GXLHJNBGRJAXGY-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000895850229 1024911156 /nfs/dbraw/zinc/91/11/56/1024911156.db2.gz GXLHJNBGRJAXGY-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000071953141 1024920351 /nfs/dbraw/zinc/92/03/51/1024920351.db2.gz SSNCOPRHMWNGSH-UHFFFAOYSA-N 1 2 331.435 3.961 20 0 EHADLO Cc1cc(C)c2cc(N[C@H]3CCOC4(CCOCC4)C3)ccc2[nH+]1 ZINC000895874735 1024923567 /nfs/dbraw/zinc/92/35/67/1024923567.db2.gz FEYOYKCDFMNOBF-KRWDZBQOSA-N 1 2 326.440 3.992 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157507091 1024929378 /nfs/dbraw/zinc/92/93/78/1024929378.db2.gz AUJNDABFYFQMPV-LBPRGKRZSA-N 1 2 333.505 3.744 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428009068 1024937146 /nfs/dbraw/zinc/93/71/46/1024937146.db2.gz SBNFLLVYVLMMQH-YJBOKZPZSA-N 1 2 325.456 3.631 20 0 EHADLO CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001269967891 1024954182 /nfs/dbraw/zinc/95/41/82/1024954182.db2.gz RJPUFYKCDWNMEC-QRVBRYPASA-N 1 2 338.536 3.695 20 0 EHADLO CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001269967891 1024954192 /nfs/dbraw/zinc/95/41/92/1024954192.db2.gz RJPUFYKCDWNMEC-QRVBRYPASA-N 1 2 338.536 3.695 20 0 EHADLO CCOCc1noc2c1C[N@H+](Cc1coc3ccc(F)cc13)CC2 ZINC001141852518 1024954491 /nfs/dbraw/zinc/95/44/91/1024954491.db2.gz HENAAMCGNVVUMA-UHFFFAOYSA-N 1 2 330.359 3.655 20 0 EHADLO CCOCc1noc2c1C[N@@H+](Cc1coc3ccc(F)cc13)CC2 ZINC001141852518 1024954497 /nfs/dbraw/zinc/95/44/97/1024954497.db2.gz HENAAMCGNVVUMA-UHFFFAOYSA-N 1 2 330.359 3.655 20 0 EHADLO C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)Cc1cscn1 ZINC000157643019 1024979346 /nfs/dbraw/zinc/97/93/46/1024979346.db2.gz QCJYBLQMVXJMIM-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)Cc1cscn1 ZINC000157643019 1024979357 /nfs/dbraw/zinc/97/93/57/1024979357.db2.gz QCJYBLQMVXJMIM-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)[NH+]1CCCCC1 ZINC000474446175 1024981246 /nfs/dbraw/zinc/98/12/46/1024981246.db2.gz NZWKPXHXVPFAGF-AWEZNQCLSA-N 1 2 328.815 3.634 20 0 EHADLO O=C(Cc1coc2ccc3ccccc3c12)NCCCn1cc[nH+]c1 ZINC000028201739 1024991839 /nfs/dbraw/zinc/99/18/39/1024991839.db2.gz BUGXXONDLXAUNJ-UHFFFAOYSA-N 1 2 333.391 3.532 20 0 EHADLO CCc1occc1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000281392989 1024995254 /nfs/dbraw/zinc/99/52/54/1024995254.db2.gz HDMNTLHVHYJPRW-UHFFFAOYSA-N 1 2 341.455 3.616 20 0 EHADLO CC(C)(C)OC(=O)CCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000594236880 1033253235 /nfs/dbraw/zinc/25/32/35/1033253235.db2.gz XAQGUQZJKQAVSC-UHFFFAOYSA-N 1 2 343.427 3.713 20 0 EHADLO FC(F)n1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000346669566 1025005377 /nfs/dbraw/zinc/00/53/77/1025005377.db2.gz NLKUIPUKAIJFCH-CYBMUJFWSA-N 1 2 327.762 3.935 20 0 EHADLO CCOC[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000281435547 1025029031 /nfs/dbraw/zinc/02/90/31/1025029031.db2.gz ZBJPIWSIJXZYMF-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO CCOC[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000281435547 1025029040 /nfs/dbraw/zinc/02/90/40/1025029040.db2.gz ZBJPIWSIJXZYMF-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000428209413 1025037444 /nfs/dbraw/zinc/03/74/44/1025037444.db2.gz SNRJAHNZWMYTCX-UHFFFAOYSA-N 1 2 340.265 3.839 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000428209413 1025037454 /nfs/dbraw/zinc/03/74/54/1025037454.db2.gz SNRJAHNZWMYTCX-UHFFFAOYSA-N 1 2 340.265 3.839 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/C=C(Cl)Cl)c1C ZINC000895982210 1025040305 /nfs/dbraw/zinc/04/03/05/1025040305.db2.gz YYAMMYWKHOHGEE-FNORWQNLSA-N 1 2 329.227 3.541 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000346728563 1025042723 /nfs/dbraw/zinc/04/27/23/1025042723.db2.gz LUAGKOZTODRHRR-CYBMUJFWSA-N 1 2 343.818 3.537 20 0 EHADLO CC[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)CC(F)(F)F ZINC000840365830 1025066195 /nfs/dbraw/zinc/06/61/95/1025066195.db2.gz ACJGCJNSORCWSX-SNVBAGLBSA-N 1 2 329.370 3.972 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)no1 ZINC000520830440 1025070038 /nfs/dbraw/zinc/07/00/38/1025070038.db2.gz IJAQANZYACTRQG-RCCFBDPRSA-N 1 2 343.471 3.853 20 0 EHADLO CNC(=O)N(C)c1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1 ZINC000896011365 1025071270 /nfs/dbraw/zinc/07/12/70/1025071270.db2.gz NCUMZRFCEQVIFC-UHFFFAOYSA-N 1 2 338.455 3.657 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H]1CCCOc2c(OC)cccc21 ZINC000896022327 1025085520 /nfs/dbraw/zinc/08/55/20/1025085520.db2.gz SUXUTQQOJBJTSN-AWEZNQCLSA-N 1 2 347.436 3.547 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)C2 ZINC000582049110 1025090514 /nfs/dbraw/zinc/09/05/14/1025090514.db2.gz DMVCHWALHOTIMR-QLFBSQMISA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)CC2 ZINC000582049110 1025090523 /nfs/dbraw/zinc/09/05/23/1025090523.db2.gz DMVCHWALHOTIMR-QLFBSQMISA-N 1 2 331.504 3.969 20 0 EHADLO CN(C)c1ccc(NCc2ccc(N(C)c3ccccc3)nc2)c[nH+]1 ZINC000435711478 1025100755 /nfs/dbraw/zinc/10/07/55/1025100755.db2.gz PLEBVPGHMBFFOD-UHFFFAOYSA-N 1 2 333.439 3.923 20 0 EHADLO COC(=O)[C@@H]([N@H+](C)Cc1ccc(Cl)c(Cl)c1)C1(OC)CCC1 ZINC000520890649 1025111405 /nfs/dbraw/zinc/11/14/05/1025111405.db2.gz AITQAEXODJOCCG-CQSZACIVSA-N 1 2 346.254 3.536 20 0 EHADLO COC(=O)[C@@H]([N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C1(OC)CCC1 ZINC000520890649 1025111412 /nfs/dbraw/zinc/11/14/12/1025111412.db2.gz AITQAEXODJOCCG-CQSZACIVSA-N 1 2 346.254 3.536 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4cnc(C)nc4C(C)C)n3)[nH+]c12 ZINC000896063884 1025117929 /nfs/dbraw/zinc/11/79/29/1025117929.db2.gz BCOGHXIHWJDOKA-UHFFFAOYSA-N 1 2 348.410 3.505 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000280865568 1025124415 /nfs/dbraw/zinc/12/44/15/1025124415.db2.gz DTNYQHSLOYFTRX-UHFFFAOYSA-N 1 2 348.450 3.869 20 0 EHADLO COCc1cc[nH+]c(NCc2ccc(C(=O)OC(C)(C)C)s2)c1 ZINC000895150195 1025144203 /nfs/dbraw/zinc/14/42/03/1025144203.db2.gz HHQBZHAWEVUVGI-UHFFFAOYSA-N 1 2 334.441 3.857 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000515328472 1025166193 /nfs/dbraw/zinc/16/61/93/1025166193.db2.gz YMQSMSSLBXGVJR-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000515328472 1025166200 /nfs/dbraw/zinc/16/62/00/1025166200.db2.gz YMQSMSSLBXGVJR-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000896133573 1025174682 /nfs/dbraw/zinc/17/46/82/1025174682.db2.gz PVFZRNXGENLUBM-JTQLQIEISA-N 1 2 346.843 3.693 20 0 EHADLO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515341003 1025179447 /nfs/dbraw/zinc/17/94/47/1025179447.db2.gz NDVBWLMSIRLARV-PHIMTYICSA-N 1 2 332.275 3.688 20 0 EHADLO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515341003 1025179457 /nfs/dbraw/zinc/17/94/57/1025179457.db2.gz NDVBWLMSIRLARV-PHIMTYICSA-N 1 2 332.275 3.688 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657325390 1025186683 /nfs/dbraw/zinc/18/66/83/1025186683.db2.gz DGXYXSYPUUBEME-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO O=C(Nc1cc(Cl)cc(F)c1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000442178800 1025198491 /nfs/dbraw/zinc/19/84/91/1025198491.db2.gz WTAMPCWWPBXQPA-UHFFFAOYSA-N 1 2 340.761 3.684 20 0 EHADLO Cc1csc([C@H](C)NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000515377187 1025206972 /nfs/dbraw/zinc/20/69/72/1025206972.db2.gz IIPPSINNDJDATH-DZGCQCFKSA-N 1 2 340.452 3.574 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000521120699 1025211508 /nfs/dbraw/zinc/21/15/08/1025211508.db2.gz GSOPNXMUSHQTQN-AEFFLSMTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000521120699 1025211522 /nfs/dbraw/zinc/21/15/22/1025211522.db2.gz GSOPNXMUSHQTQN-AEFFLSMTSA-N 1 2 348.874 3.620 20 0 EHADLO CCc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000342408471 1025233735 /nfs/dbraw/zinc/23/37/35/1025233735.db2.gz NAHGXWXGSZIKDG-INIZCTEOSA-N 1 2 329.469 3.699 20 0 EHADLO CCc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000342408471 1025233741 /nfs/dbraw/zinc/23/37/41/1025233741.db2.gz NAHGXWXGSZIKDG-INIZCTEOSA-N 1 2 329.469 3.699 20 0 EHADLO CCc1oc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1C ZINC000474650991 1025274145 /nfs/dbraw/zinc/27/41/45/1025274145.db2.gz WKDFCXUCWOTLIG-UHFFFAOYSA-N 1 2 346.858 3.592 20 0 EHADLO CCc1oc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1C ZINC000474650991 1025274159 /nfs/dbraw/zinc/27/41/59/1025274159.db2.gz WKDFCXUCWOTLIG-UHFFFAOYSA-N 1 2 346.858 3.592 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CO[C@H]1CCCC[C@@H]1CC ZINC000346923671 1025299547 /nfs/dbraw/zinc/29/95/47/1025299547.db2.gz VKKNTPQGIVNTOW-ROUUACIJSA-N 1 2 349.519 3.670 20 0 EHADLO Cc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1F ZINC000474661586 1025302406 /nfs/dbraw/zinc/30/24/06/1025302406.db2.gz USLVXEVVHBOSJL-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1F ZINC000474661586 1025302415 /nfs/dbraw/zinc/30/24/15/1025302415.db2.gz USLVXEVVHBOSJL-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346928021 1025320331 /nfs/dbraw/zinc/32/03/31/1025320331.db2.gz DPQIBPZTTRZCNQ-ZDUSSCGKSA-N 1 2 334.379 3.687 20 0 EHADLO CCCc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1-c1cccc(C)c1 ZINC000436038566 1025324248 /nfs/dbraw/zinc/32/42/48/1025324248.db2.gz CDGDWNAZSAUAQN-UHFFFAOYSA-N 1 2 334.423 3.511 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)c(F)c1 ZINC000521349060 1025344852 /nfs/dbraw/zinc/34/48/52/1025344852.db2.gz MFNYMWMTHILFQQ-SFHVURJKSA-N 1 2 344.409 3.692 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)c(F)c1 ZINC000521349060 1025344864 /nfs/dbraw/zinc/34/48/64/1025344864.db2.gz MFNYMWMTHILFQQ-SFHVURJKSA-N 1 2 344.409 3.692 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000281676074 1025360482 /nfs/dbraw/zinc/36/04/82/1025360482.db2.gz LYAHVSIWFFSWDM-MFKMUULPSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000281676074 1025360495 /nfs/dbraw/zinc/36/04/95/1025360495.db2.gz LYAHVSIWFFSWDM-MFKMUULPSA-N 1 2 328.243 3.640 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000436086682 1025363016 /nfs/dbraw/zinc/36/30/16/1025363016.db2.gz WMCULWSHHIVFHH-INIZCTEOSA-N 1 2 344.434 3.589 20 0 EHADLO CCSc1ccc([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000521413594 1025376673 /nfs/dbraw/zinc/37/66/73/1025376673.db2.gz UCKXZIBVHOHYGO-HNNXBMFYSA-N 1 2 346.500 3.836 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)c(Cl)c2)CC[C@H]1O ZINC000347004545 1025400939 /nfs/dbraw/zinc/40/09/39/1025400939.db2.gz ABXKKPHQZJLLJJ-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@H]1O ZINC000347004545 1025400947 /nfs/dbraw/zinc/40/09/47/1025400947.db2.gz ABXKKPHQZJLLJJ-CYBMUJFWSA-N 1 2 332.669 3.695 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000515602495 1025396949 /nfs/dbraw/zinc/39/69/49/1025396949.db2.gz FEFULHPDHYKCDF-OXJNMPFZSA-N 1 2 340.467 3.954 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000281728609 1025418871 /nfs/dbraw/zinc/41/88/71/1025418871.db2.gz RUSMDFGTSGNEDJ-JOCQHMNTSA-N 1 2 338.238 3.642 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ncc(Br)cn1 ZINC000353898369 1025422947 /nfs/dbraw/zinc/42/29/47/1025422947.db2.gz KBYZAMRGPAULNF-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCc3cc(F)c(OC)cc32)[nH]1 ZINC000281762467 1025451139 /nfs/dbraw/zinc/45/11/39/1025451139.db2.gz WKMQILNREXEHRZ-PGUXBMHVSA-N 1 2 332.423 3.804 20 0 EHADLO FC(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)=C1CCCC1 ZINC000574505413 1033283460 /nfs/dbraw/zinc/28/34/60/1033283460.db2.gz XEAFTVFXXARBSD-UHFFFAOYSA-N 1 2 343.402 3.823 20 0 EHADLO [NH3+][C@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)c1ccccc1 ZINC000442753633 1025465829 /nfs/dbraw/zinc/46/58/29/1025465829.db2.gz PBUABAMPTLSPBE-SFHVURJKSA-N 1 2 334.423 3.775 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)OC ZINC000347064535 1025476219 /nfs/dbraw/zinc/47/62/19/1025476219.db2.gz ZBVDYMXXGPINCZ-IBGZPJMESA-N 1 2 343.471 3.503 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2cc3n(n2)CCC3)c2ccccn2)cc1 ZINC000657362911 1025483039 /nfs/dbraw/zinc/48/30/39/1025483039.db2.gz KCLPPYGOWQOQRR-NRFANRHFSA-N 1 2 332.451 3.606 20 0 EHADLO C[C@@H]1CN(c2ccc(NC3CCC(C(F)F)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000442850274 1025520328 /nfs/dbraw/zinc/52/03/28/1025520328.db2.gz OYXWRTCSEXJJRO-LMRVLLHPSA-N 1 2 339.430 3.931 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccs1 ZINC000281833140 1025553685 /nfs/dbraw/zinc/55/36/85/1025553685.db2.gz ADHJGRGPPRDUAF-LSDHHAIUSA-N 1 2 343.496 3.791 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000281836027 1025581498 /nfs/dbraw/zinc/58/14/98/1025581498.db2.gz YBCAALONHLGQSK-KBPBESRZSA-N 1 2 339.468 3.796 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(O)ccc2Br)[C@@H]2CCC[C@H]2O1 ZINC000442967572 1025627547 /nfs/dbraw/zinc/62/75/47/1025627547.db2.gz UXXDVHQFSCLPBT-HUUCEWRRSA-N 1 2 340.261 3.687 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(O)ccc2Br)[C@@H]2CCC[C@H]2O1 ZINC000442967572 1025627558 /nfs/dbraw/zinc/62/75/58/1025627558.db2.gz UXXDVHQFSCLPBT-HUUCEWRRSA-N 1 2 340.261 3.687 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)sc2nc(C)nc(C)c12 ZINC000783674080 1025647611 /nfs/dbraw/zinc/64/76/11/1025647611.db2.gz SWEMJSVILHPUMB-ZDUSSCGKSA-N 1 2 327.457 3.677 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@H]2c2ncc[nH]2)sc2nc(C)nc(C)c12 ZINC000783674080 1025647624 /nfs/dbraw/zinc/64/76/24/1025647624.db2.gz SWEMJSVILHPUMB-ZDUSSCGKSA-N 1 2 327.457 3.677 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000119700666 1025653362 /nfs/dbraw/zinc/65/33/62/1025653362.db2.gz MSNGZOZYWONGIY-GOSISDBHSA-N 1 2 327.428 3.939 20 0 EHADLO CC[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000119707931 1025671522 /nfs/dbraw/zinc/67/15/22/1025671522.db2.gz JQZDRMOSGPTXRA-MSOLQXFVSA-N 1 2 339.483 3.785 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521819334 1025704843 /nfs/dbraw/zinc/70/48/43/1025704843.db2.gz ZBBMNZOKMHCFMP-QGZVFWFLSA-N 1 2 342.458 3.989 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000521819334 1025704855 /nfs/dbraw/zinc/70/48/55/1025704855.db2.gz ZBBMNZOKMHCFMP-QGZVFWFLSA-N 1 2 342.458 3.989 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000582271442 1025730137 /nfs/dbraw/zinc/73/01/37/1025730137.db2.gz ZTIGCRCPQLIFRD-KRWDZBQOSA-N 1 2 334.423 3.821 20 0 EHADLO CC[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451282200 1025757132 /nfs/dbraw/zinc/75/71/32/1025757132.db2.gz BEOZAKKCZYQXKY-QAPCUYQASA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)s1 ZINC000347267036 1025769358 /nfs/dbraw/zinc/76/93/58/1025769358.db2.gz OQXPCGWULRALNV-ZDUSSCGKSA-N 1 2 335.904 3.984 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2nc(-c3ccccc3)c[nH]2)c(C)[nH+]1 ZINC000436493183 1025776370 /nfs/dbraw/zinc/77/63/70/1025776370.db2.gz LJNKPWXSHUHHLZ-UHFFFAOYSA-N 1 2 335.411 3.719 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281947039 1025778235 /nfs/dbraw/zinc/77/82/35/1025778235.db2.gz LTUBNQXZXMOWKU-UONOGXRCSA-N 1 2 344.484 3.782 20 0 EHADLO COc1ccccc1CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000342481893 1025785592 /nfs/dbraw/zinc/78/55/92/1025785592.db2.gz XJDSIJSCDYKPRH-UHFFFAOYSA-N 1 2 347.418 3.686 20 0 EHADLO CCCCC1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000521935770 1025801861 /nfs/dbraw/zinc/80/18/61/1025801861.db2.gz BWVNWDSPVVTWFZ-ADKAHSJRSA-N 1 2 346.519 3.846 20 0 EHADLO CCCCC1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000521935770 1025801883 /nfs/dbraw/zinc/80/18/83/1025801883.db2.gz BWVNWDSPVVTWFZ-ADKAHSJRSA-N 1 2 346.519 3.846 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)oc1C ZINC000451306275 1025812641 /nfs/dbraw/zinc/81/26/41/1025812641.db2.gz MJNPIPUXNWQESJ-CQSZACIVSA-N 1 2 328.334 3.524 20 0 EHADLO CC(C)Cn1nccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000648002673 1025815772 /nfs/dbraw/zinc/81/57/72/1025815772.db2.gz JTSMYKYQHWWONI-UHFFFAOYSA-N 1 2 342.306 3.995 20 0 EHADLO CC(C)Cn1nccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000648002673 1025815795 /nfs/dbraw/zinc/81/57/95/1025815795.db2.gz JTSMYKYQHWWONI-UHFFFAOYSA-N 1 2 342.306 3.995 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000109784329 1025840474 /nfs/dbraw/zinc/84/04/74/1025840474.db2.gz YROZQGSLNWULCJ-NSHDSACASA-N 1 2 336.794 3.816 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000109784329 1025840493 /nfs/dbraw/zinc/84/04/93/1025840493.db2.gz YROZQGSLNWULCJ-NSHDSACASA-N 1 2 336.794 3.816 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451360786 1025867513 /nfs/dbraw/zinc/86/75/13/1025867513.db2.gz YNSJHTDCKWTRPX-BJOHPYRUSA-N 1 2 339.798 3.810 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000896680639 1025867775 /nfs/dbraw/zinc/86/77/75/1025867775.db2.gz ADJJKUKIIFIMRN-MAUKXSAKSA-N 1 2 325.456 3.579 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000121804623 1025881577 /nfs/dbraw/zinc/88/15/77/1025881577.db2.gz ZVRHHCKCERKRDG-NRFANRHFSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1cccc(Oc2ccccc2NC(=O)NCc2c[nH+]cn2C)c1 ZINC000349906797 1025886231 /nfs/dbraw/zinc/88/62/31/1025886231.db2.gz QFEDLIWMKOUOKB-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO COC1(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000516018960 1025892109 /nfs/dbraw/zinc/89/21/09/1025892109.db2.gz YGRPPNOCPOCJIX-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000516018960 1025892129 /nfs/dbraw/zinc/89/21/29/1025892129.db2.gz YGRPPNOCPOCJIX-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO C[C@@H](C(=O)N[C@H](c1cccs1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000522877897 1025897763 /nfs/dbraw/zinc/89/77/63/1025897763.db2.gz CKYFZUPDQCXVQG-LIRRHRJNSA-N 1 2 340.492 3.762 20 0 EHADLO C[C@@H](C(=O)N[C@H](c1cccs1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000522877897 1025897783 /nfs/dbraw/zinc/89/77/83/1025897783.db2.gz CKYFZUPDQCXVQG-LIRRHRJNSA-N 1 2 340.492 3.762 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](CSc3ccccc3)C2)c[nH+]1 ZINC000896721159 1025904099 /nfs/dbraw/zinc/90/40/99/1025904099.db2.gz KKQVHADOSLWYDX-INIZCTEOSA-N 1 2 343.496 3.567 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407542 1025909818 /nfs/dbraw/zinc/90/98/18/1025909818.db2.gz LTUNNHJNJQOPAK-VHSXEESVSA-N 1 2 329.288 3.608 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407542 1025909824 /nfs/dbraw/zinc/90/98/24/1025909824.db2.gz LTUNNHJNJQOPAK-VHSXEESVSA-N 1 2 329.288 3.608 20 0 EHADLO Fc1cc2[nH+]ccc(NCc3noc4c3COCC4)c2cc1Cl ZINC000896710784 1025914755 /nfs/dbraw/zinc/91/47/55/1025914755.db2.gz YGSYORBUKLCZIR-UHFFFAOYSA-N 1 2 333.750 3.700 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCS1 ZINC000287025048 1025917697 /nfs/dbraw/zinc/91/76/97/1025917697.db2.gz USUPZMHHQQRBGI-INIZCTEOSA-N 1 2 328.437 3.687 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000023889471 1025928038 /nfs/dbraw/zinc/92/80/38/1025928038.db2.gz WGIYWZGOBXTTQN-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(F)cc2O)cc1 ZINC000436591043 1025929830 /nfs/dbraw/zinc/92/98/30/1025929830.db2.gz VHHCQZZVFMMKKH-GFCCVEGCSA-N 1 2 339.370 3.516 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccccc3Br)CC2)c(C)c[nH+]1 ZINC000530504349 1025963180 /nfs/dbraw/zinc/96/31/80/1025963180.db2.gz JWJUWLNNKOWICB-UHFFFAOYSA-N 1 2 345.240 3.553 20 0 EHADLO Clc1ccc2oc(=NCc3cc(-n4cc[nH+]c4)cs3)[nH]c2c1 ZINC000342514825 1026008289 /nfs/dbraw/zinc/00/82/89/1026008289.db2.gz SFKPXKHJZXQDQS-UHFFFAOYSA-N 1 2 330.800 3.762 20 0 EHADLO Nc1nc(N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[nH+]c2ccccc12 ZINC000530535489 1026014629 /nfs/dbraw/zinc/01/46/29/1026014629.db2.gz BTPWWVPSTVTXHS-DZGCQCFKSA-N 1 2 342.349 3.612 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c[nH+]1 ZINC000896788180 1026017535 /nfs/dbraw/zinc/01/75/35/1026017535.db2.gz XGGQVSLZGOPVLB-INIZCTEOSA-N 1 2 348.450 3.866 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)on1 ZINC000044986699 1026021664 /nfs/dbraw/zinc/02/16/64/1026021664.db2.gz QXXXNSIOPYCLPZ-UHFFFAOYSA-N 1 2 347.159 3.637 20 0 EHADLO CC(C)c1nc([C@@H]2CCCC[N@@H+]2CCN(C)c2ccccc2)no1 ZINC001167568566 1026038151 /nfs/dbraw/zinc/03/81/51/1026038151.db2.gz VRURKLDBFOWKFE-KRWDZBQOSA-N 1 2 328.460 3.856 20 0 EHADLO CC(C)c1nc([C@@H]2CCCC[N@H+]2CCN(C)c2ccccc2)no1 ZINC001167568566 1026038168 /nfs/dbraw/zinc/03/81/68/1026038168.db2.gz VRURKLDBFOWKFE-KRWDZBQOSA-N 1 2 328.460 3.856 20 0 EHADLO COCCC1CC[NH+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141915679 1026038653 /nfs/dbraw/zinc/03/86/53/1026038653.db2.gz MMXSWURALPOGDV-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(C)cc2)s1 ZINC000121994126 1026071778 /nfs/dbraw/zinc/07/17/78/1026071778.db2.gz RJNLJHAIXVUWDO-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C)cc2)s1 ZINC000121994126 1026071793 /nfs/dbraw/zinc/07/17/93/1026071793.db2.gz RJNLJHAIXVUWDO-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000007493873 1026073817 /nfs/dbraw/zinc/07/38/17/1026073817.db2.gz SFMSCZUHCKGOGP-UHFFFAOYSA-N 1 2 341.455 3.649 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000007493873 1026073833 /nfs/dbraw/zinc/07/38/33/1026073833.db2.gz SFMSCZUHCKGOGP-UHFFFAOYSA-N 1 2 341.455 3.649 20 0 EHADLO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436718807 1026089299 /nfs/dbraw/zinc/08/92/99/1026089299.db2.gz MYJYLWTVRDZQED-UHFFFAOYSA-N 1 2 342.842 3.523 20 0 EHADLO Clc1ccc(OCc2cccnc2)c(C[NH+]2CCSCC2)c1 ZINC000103467553 1026090080 /nfs/dbraw/zinc/09/00/80/1026090080.db2.gz OWSTZBJDSNZFDS-UHFFFAOYSA-N 1 2 334.872 3.863 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451545236 1026096341 /nfs/dbraw/zinc/09/63/41/1026096341.db2.gz QTVMXHYDBJFOFO-FZMZJTMJSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451545236 1026096356 /nfs/dbraw/zinc/09/63/56/1026096356.db2.gz QTVMXHYDBJFOFO-FZMZJTMJSA-N 1 2 345.270 3.679 20 0 EHADLO CCCCO[C@@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896826574 1026102226 /nfs/dbraw/zinc/10/22/26/1026102226.db2.gz ZYBVVIVBYQZTHK-AWEZNQCLSA-N 1 2 326.400 3.724 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1SC ZINC000511112913 1026102270 /nfs/dbraw/zinc/10/22/70/1026102270.db2.gz ANBAHSLSZCFPHU-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1SC ZINC000511112913 1026102282 /nfs/dbraw/zinc/10/22/82/1026102282.db2.gz ANBAHSLSZCFPHU-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(O)c1 ZINC000436742920 1026112576 /nfs/dbraw/zinc/11/25/76/1026112576.db2.gz WHRMEJVUHKTXRN-UHFFFAOYSA-N 1 2 335.407 3.631 20 0 EHADLO COC[C@H](C)Oc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000657414075 1026116957 /nfs/dbraw/zinc/11/69/57/1026116957.db2.gz XUCDGTWFOFJFGW-INIZCTEOSA-N 1 2 341.455 3.708 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)nc1 ZINC000451575659 1026125061 /nfs/dbraw/zinc/12/50/61/1026125061.db2.gz YCHDFAUVZXAHRJ-AWEZNQCLSA-N 1 2 332.245 3.537 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)nc1 ZINC000451575659 1026125069 /nfs/dbraw/zinc/12/50/69/1026125069.db2.gz YCHDFAUVZXAHRJ-AWEZNQCLSA-N 1 2 332.245 3.537 20 0 EHADLO COc1nsc(C[NH+]2CCC(F)(C3CC3)CC2)c1Br ZINC000896946036 1026141770 /nfs/dbraw/zinc/14/17/70/1026141770.db2.gz NUZOPLOCTJIMKS-UHFFFAOYSA-N 1 2 349.269 3.628 20 0 EHADLO c1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n(CC2CC2)n1 ZINC000657418404 1026145344 /nfs/dbraw/zinc/14/53/44/1026145344.db2.gz DZWDZQBPOZDYDK-UHFFFAOYSA-N 1 2 345.450 3.820 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000544380198 1026245103 /nfs/dbraw/zinc/24/51/03/1026245103.db2.gz AYTGLRHPRDYECI-IBGZPJMESA-N 1 2 341.361 3.643 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724084 1026251043 /nfs/dbraw/zinc/25/10/43/1026251043.db2.gz IPZRCFUMKSHFTF-WBVHZDCISA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724084 1026251050 /nfs/dbraw/zinc/25/10/50/1026251050.db2.gz IPZRCFUMKSHFTF-WBVHZDCISA-N 1 2 332.492 3.904 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(F)(F)F)c(O)c1 ZINC000684872636 1026269510 /nfs/dbraw/zinc/26/95/10/1026269510.db2.gz GRKRUFCEHUZBAK-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)c2cc(C)n(C)c2C)s1 ZINC000530777858 1026286500 /nfs/dbraw/zinc/28/65/00/1026286500.db2.gz NXENANREXWQVAS-CQSZACIVSA-N 1 2 333.501 3.845 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)c2cc(C)n(C)c2C)s1 ZINC000530777858 1026286512 /nfs/dbraw/zinc/28/65/12/1026286512.db2.gz NXENANREXWQVAS-CQSZACIVSA-N 1 2 333.501 3.845 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000657433012 1026288194 /nfs/dbraw/zinc/28/81/94/1026288194.db2.gz MYLQCBISDHRUBP-PXAZEXFGSA-N 1 2 349.377 3.602 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451794810 1026299171 /nfs/dbraw/zinc/29/91/71/1026299171.db2.gz DSVAJIWEEOFATD-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451794810 1026299181 /nfs/dbraw/zinc/29/91/81/1026299181.db2.gz DSVAJIWEEOFATD-IBGZPJMESA-N 1 2 342.414 3.536 20 0 EHADLO COc1cccc(-c2nnc(C[N@@H+]3C[C@H](C)[C@@H]3c3ccccc3)o2)c1 ZINC001167575684 1026303720 /nfs/dbraw/zinc/30/37/20/1026303720.db2.gz GSNJWWNLNSYUAW-IFXJQAMLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1cccc(-c2nnc(C[N@H+]3C[C@H](C)[C@@H]3c3ccccc3)o2)c1 ZINC001167575684 1026303727 /nfs/dbraw/zinc/30/37/27/1026303727.db2.gz GSNJWWNLNSYUAW-IFXJQAMLSA-N 1 2 335.407 3.938 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)[nH+]c12 ZINC000530834065 1026329789 /nfs/dbraw/zinc/32/97/89/1026329789.db2.gz MWJGOUUZZYXZCL-IEBWSBKVSA-N 1 2 347.462 3.665 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c(OC)c1 ZINC000192751876 1026336451 /nfs/dbraw/zinc/33/64/51/1026336451.db2.gz TUGPWLXQQGRGFB-AWEZNQCLSA-N 1 2 327.428 3.872 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841563 1026337832 /nfs/dbraw/zinc/33/78/32/1026337832.db2.gz PXBSGNVZZVWMAN-QAPCUYQASA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841563 1026337847 /nfs/dbraw/zinc/33/78/47/1026337847.db2.gz PXBSGNVZZVWMAN-QAPCUYQASA-N 1 2 330.472 3.986 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000530863695 1026365051 /nfs/dbraw/zinc/36/50/51/1026365051.db2.gz NAIIHFUGOPNGTH-CQSZACIVSA-N 1 2 339.277 3.898 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000530863695 1026365063 /nfs/dbraw/zinc/36/50/63/1026365063.db2.gz NAIIHFUGOPNGTH-CQSZACIVSA-N 1 2 339.277 3.898 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1ccnn1C ZINC000192798876 1026368094 /nfs/dbraw/zinc/36/80/94/1026368094.db2.gz FLFIYIKDODEEIA-QRWLVFNGSA-N 1 2 345.450 3.747 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907740 1026373002 /nfs/dbraw/zinc/37/30/02/1026373002.db2.gz MREZXAUCXSZVHD-JSGCOSHPSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907740 1026373013 /nfs/dbraw/zinc/37/30/13/1026373013.db2.gz MREZXAUCXSZVHD-JSGCOSHPSA-N 1 2 348.434 3.936 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)cn1 ZINC000451916086 1026377495 /nfs/dbraw/zinc/37/74/95/1026377495.db2.gz UYSIWPLBBKISGC-UONOGXRCSA-N 1 2 325.416 3.673 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000530899419 1026383573 /nfs/dbraw/zinc/38/35/73/1026383573.db2.gz HTTWPEZNSOWMOW-UHFFFAOYSA-N 1 2 346.406 3.555 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)c1C ZINC000451962435 1026400441 /nfs/dbraw/zinc/40/04/41/1026400441.db2.gz FUTBDGZPBQWYQR-AUUYWEPGSA-N 1 2 348.512 3.624 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)c1C ZINC000451962435 1026400446 /nfs/dbraw/zinc/40/04/46/1026400446.db2.gz FUTBDGZPBQWYQR-AUUYWEPGSA-N 1 2 348.512 3.624 20 0 EHADLO Cc1cccn2cc(CC(=O)N3c4ccccc4SC[C@H]3C)[nH+]c12 ZINC000530948485 1026439761 /nfs/dbraw/zinc/43/97/61/1026439761.db2.gz KAKIBUJRGURQDB-CQSZACIVSA-N 1 2 337.448 3.713 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044269 1026453839 /nfs/dbraw/zinc/45/38/39/1026453839.db2.gz INNLZBYSMFCDNH-NGPMFRHWSA-N 1 2 336.277 3.668 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044269 1026453855 /nfs/dbraw/zinc/45/38/55/1026453855.db2.gz INNLZBYSMFCDNH-NGPMFRHWSA-N 1 2 336.277 3.668 20 0 EHADLO CCCOc1cccc(CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000431432747 1026457134 /nfs/dbraw/zinc/45/71/34/1026457134.db2.gz IVOJHVVBEDPPPU-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000122440986 1026466524 /nfs/dbraw/zinc/46/65/24/1026466524.db2.gz UWFNSCIPRVFUET-KRWDZBQOSA-N 1 2 348.450 3.800 20 0 EHADLO c1[nH+]c(-c2cccc(NCc3cc4n(n3)CCC4)c2)n2c1CCCC2 ZINC000657449625 1026497717 /nfs/dbraw/zinc/49/77/17/1026497717.db2.gz CGPNNBGMWBQHKH-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO CCCN(CCC)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159160363 1026504455 /nfs/dbraw/zinc/50/44/55/1026504455.db2.gz GDQSTVJBLHMCTQ-UHFFFAOYSA-N 1 2 330.432 3.616 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C ZINC000475364192 1026517166 /nfs/dbraw/zinc/51/71/66/1026517166.db2.gz MVPOKWWLLBZDOU-QMTHXVAHSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C ZINC000475364192 1026517179 /nfs/dbraw/zinc/51/71/79/1026517179.db2.gz MVPOKWWLLBZDOU-QMTHXVAHSA-N 1 2 349.780 3.990 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000657452615 1026524522 /nfs/dbraw/zinc/52/45/22/1026524522.db2.gz MSBPVHBQWOQVPF-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000277682490 1026539073 /nfs/dbraw/zinc/53/90/73/1026539073.db2.gz KPTKJARBFYCYHY-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000277682490 1026539078 /nfs/dbraw/zinc/53/90/78/1026539078.db2.gz KPTKJARBFYCYHY-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCCC(F)(F)C1 ZINC000281994748 1026558402 /nfs/dbraw/zinc/55/84/02/1026558402.db2.gz IJWYHLKYAMPOOP-LBPRGKRZSA-N 1 2 343.443 3.893 20 0 EHADLO O=C(CCCC(F)(F)F)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452205018 1026570473 /nfs/dbraw/zinc/57/04/73/1026570473.db2.gz ILCYBMGKTOBXPR-UHFFFAOYSA-N 1 2 345.752 3.875 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000475423208 1026601460 /nfs/dbraw/zinc/60/14/60/1026601460.db2.gz IATWDCSFWAQTAH-UHFFFAOYSA-N 1 2 347.340 3.903 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC000684917540 1026602129 /nfs/dbraw/zinc/60/21/29/1026602129.db2.gz IQECYSZEEVBSEA-KRWDZBQOSA-N 1 2 335.407 3.604 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000152703136 1026608840 /nfs/dbraw/zinc/60/88/40/1026608840.db2.gz ZKJMXLNICUMHNC-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO CC(C)[C@H](C(=O)NCCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000531154690 1026615436 /nfs/dbraw/zinc/61/54/36/1026615436.db2.gz QTMBRFQURRXZIS-KRWDZBQOSA-N 1 2 333.863 3.873 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000168023280 1026650426 /nfs/dbraw/zinc/65/04/26/1026650426.db2.gz MWCPTDBBMWMKAL-HOCLYGCPSA-N 1 2 328.460 3.986 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000452332617 1026664905 /nfs/dbraw/zinc/66/49/05/1026664905.db2.gz HSMWXQUJCVLEOP-STQMWFEESA-N 1 2 347.365 3.563 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(Cc2ccccc2Cl)CC1 ZINC000452335133 1026671092 /nfs/dbraw/zinc/67/10/92/1026671092.db2.gz PKPAHJBGTZLVKM-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531201270 1026683354 /nfs/dbraw/zinc/68/33/54/1026683354.db2.gz HIVRQGWKQNETEQ-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531201270 1026683357 /nfs/dbraw/zinc/68/33/57/1026683357.db2.gz HIVRQGWKQNETEQ-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)N[C@H](c1ccccc1)C1CC1 ZINC000531194694 1026690942 /nfs/dbraw/zinc/69/09/42/1026690942.db2.gz SMCWCAPGMPXRLG-OAQYLSRUSA-N 1 2 347.418 3.519 20 0 EHADLO Clc1cccc(-c2noc(NCCc3cn4ccccc4[nH+]3)n2)c1 ZINC000301185304 1026714854 /nfs/dbraw/zinc/71/48/54/1026714854.db2.gz JTNFKTZRHNXYOO-UHFFFAOYSA-N 1 2 339.786 3.692 20 0 EHADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc2cccnc21 ZINC000684933281 1026723878 /nfs/dbraw/zinc/72/38/78/1026723878.db2.gz OXRLGRBUUZLBLK-UHFFFAOYSA-N 1 2 328.375 3.697 20 0 EHADLO c1ccc(N2CCC[C@@H](Nc3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000301246608 1026737816 /nfs/dbraw/zinc/73/78/16/1026737816.db2.gz AVSSODJAMSCTAS-QGZVFWFLSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(N2CCC[C@@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000301246608 1026737834 /nfs/dbraw/zinc/73/78/34/1026737834.db2.gz AVSSODJAMSCTAS-QGZVFWFLSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(OCC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301291998 1026753494 /nfs/dbraw/zinc/75/34/94/1026753494.db2.gz PSNNVIBQMYSQJK-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO c1ccc(OCC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000301291998 1026753503 /nfs/dbraw/zinc/75/35/03/1026753503.db2.gz PSNNVIBQMYSQJK-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)c2cc(F)ccc2O1 ZINC000657500040 1026779408 /nfs/dbraw/zinc/77/94/08/1026779408.db2.gz FOIMPACEPZLKSJ-MRXNPFEDSA-N 1 2 330.407 3.534 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1cnn(CC2CCC2)c1 ZINC000934557899 1026781037 /nfs/dbraw/zinc/78/10/37/1026781037.db2.gz VAQONULNENWVTN-GFCCVEGCSA-N 1 2 328.391 3.814 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@@H](OCC)C1 ZINC000301374987 1026781505 /nfs/dbraw/zinc/78/15/05/1026781505.db2.gz VKDKXCKUNZIUHV-OAHLLOKOSA-N 1 2 342.439 3.725 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000665653078 1026783857 /nfs/dbraw/zinc/78/38/57/1026783857.db2.gz XAFGGHPDFBQMTG-WDSOQIARSA-N 1 2 325.456 3.752 20 0 EHADLO c1coc(CN(Cc2ccco2)c2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301530690 1026842767 /nfs/dbraw/zinc/84/27/67/1026842767.db2.gz PIRNOQPHWZWZPQ-UHFFFAOYSA-N 1 2 338.411 3.860 20 0 EHADLO c1coc(CN(Cc2ccco2)c2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301530690 1026842775 /nfs/dbraw/zinc/84/27/75/1026842775.db2.gz PIRNOQPHWZWZPQ-UHFFFAOYSA-N 1 2 338.411 3.860 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3F)CC2)cc1 ZINC000301530998 1026843296 /nfs/dbraw/zinc/84/32/96/1026843296.db2.gz KAQSACRLKULUCW-UHFFFAOYSA-N 1 2 349.837 3.595 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168066162 1026858496 /nfs/dbraw/zinc/85/84/96/1026858496.db2.gz VTSMICUKSBMRHT-WMLDXEAASA-N 1 2 346.377 3.824 20 0 EHADLO C[C@]1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC=CCC1 ZINC000452603678 1026876612 /nfs/dbraw/zinc/87/66/12/1026876612.db2.gz SXBRLJQTPHDJJH-SFHVURJKSA-N 1 2 329.831 3.888 20 0 EHADLO C[C@@]1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC=CCC1 ZINC000452603677 1026877224 /nfs/dbraw/zinc/87/72/24/1026877224.db2.gz SXBRLJQTPHDJJH-GOSISDBHSA-N 1 2 329.831 3.888 20 0 EHADLO Cc1cccc2c(NCc3cc[nH+]c(N4CCCCC4)c3)ncnc12 ZINC000301683771 1026900270 /nfs/dbraw/zinc/90/02/70/1026900270.db2.gz SWCGYFLUKFSYPX-UHFFFAOYSA-N 1 2 333.439 3.936 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000301720974 1026916005 /nfs/dbraw/zinc/91/60/05/1026916005.db2.gz MPUJURQGPIWUNA-CQSZACIVSA-N 1 2 344.361 3.673 20 0 EHADLO O=C(CC[C@H]1CCOC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277784465 1026926538 /nfs/dbraw/zinc/92/65/38/1026926538.db2.gz UQEMHEGYEJBZCC-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000431471170 1026937919 /nfs/dbraw/zinc/93/79/19/1026937919.db2.gz NVYQNUOSZXDZQN-GOSISDBHSA-N 1 2 333.391 3.549 20 0 EHADLO COc1ccc([C@H](O)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000301823243 1026951868 /nfs/dbraw/zinc/95/18/68/1026951868.db2.gz NBEHVQFVTAVMJG-QGZVFWFLSA-N 1 2 329.444 3.878 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1CCOC(C)(C)C1 ZINC000301833597 1026956792 /nfs/dbraw/zinc/95/67/92/1026956792.db2.gz VAIBDMTUDKDRFR-CYBMUJFWSA-N 1 2 328.412 3.781 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cnn(Cc2ccccc2)c1 ZINC000301832632 1026957745 /nfs/dbraw/zinc/95/77/45/1026957745.db2.gz RNMPWLNHLYLINW-HNNXBMFYSA-N 1 2 348.454 3.716 20 0 EHADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000301832632 1026957756 /nfs/dbraw/zinc/95/77/56/1026957756.db2.gz RNMPWLNHLYLINW-HNNXBMFYSA-N 1 2 348.454 3.716 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCCCC2CCC2)c1)[NH+]1CCOCC1 ZINC000666003524 1026961910 /nfs/dbraw/zinc/96/19/10/1026961910.db2.gz IQXJFXDIARHYSE-MRXNPFEDSA-N 1 2 345.487 3.782 20 0 EHADLO Cc1cccc([C@@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)c1 ZINC000277794340 1026962595 /nfs/dbraw/zinc/96/25/95/1026962595.db2.gz MYWWXHLEEHJMES-OAQYLSRUSA-N 1 2 345.450 3.982 20 0 EHADLO Cc1cccc([C@@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)c1 ZINC000277794340 1026962603 /nfs/dbraw/zinc/96/26/03/1026962603.db2.gz MYWWXHLEEHJMES-OAQYLSRUSA-N 1 2 345.450 3.982 20 0 EHADLO OCC[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000305765177 1026965823 /nfs/dbraw/zinc/96/58/23/1026965823.db2.gz GXWBMMCEVRZTPY-KRWDZBQOSA-N 1 2 326.371 3.694 20 0 EHADLO Nc1nc(NCc2ccccc2OC(F)(F)F)[nH+]c2ccccc12 ZINC000301857418 1026967593 /nfs/dbraw/zinc/96/75/93/1026967593.db2.gz DMGCZJVQWZFXFE-UHFFFAOYSA-N 1 2 334.301 3.723 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H](CCCO)c1ccccc1 ZINC000301867983 1026970460 /nfs/dbraw/zinc/97/04/60/1026970460.db2.gz IIEWOOPASIASAO-INIZCTEOSA-N 1 2 339.443 3.507 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000548752811 1026975072 /nfs/dbraw/zinc/97/50/72/1026975072.db2.gz PUQNNDUTZRXKCR-UMVBOHGHSA-N 1 2 343.452 3.502 20 0 EHADLO Cc1ccc(O[C@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301891509 1026981297 /nfs/dbraw/zinc/98/12/97/1026981297.db2.gz OESXCHKGWNZVTG-CQSZACIVSA-N 1 2 339.443 3.769 20 0 EHADLO CSc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301902035 1026986842 /nfs/dbraw/zinc/98/68/42/1026986842.db2.gz WBHYSHOKRZNKPX-UHFFFAOYSA-N 1 2 327.457 3.915 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC1C[C@@H](C)O[C@H](C)C1 ZINC000301912235 1026991930 /nfs/dbraw/zinc/99/19/30/1026991930.db2.gz BYDQXZZAMMCVTA-CHWSQXEVSA-N 1 2 328.412 3.779 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301937545 1027000767 /nfs/dbraw/zinc/00/07/67/1027000767.db2.gz SBLGVFCLLFXZCR-GJZGRUSLSA-N 1 2 345.491 3.611 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301937547 1027001471 /nfs/dbraw/zinc/00/14/71/1027001471.db2.gz SBLGVFCLLFXZCR-LSDHHAIUSA-N 1 2 345.491 3.611 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000123145776 1027002587 /nfs/dbraw/zinc/00/25/87/1027002587.db2.gz XKCJZJDXVBWPGM-WMLDXEAASA-N 1 2 331.485 3.685 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000123145992 1027002648 /nfs/dbraw/zinc/00/26/48/1027002648.db2.gz XKCJZJDXVBWPGM-RHSMWYFYSA-N 1 2 331.485 3.685 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000277808854 1027003448 /nfs/dbraw/zinc/00/34/48/1027003448.db2.gz YDUZGXIPJLZTCM-QKFKETGDSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000277808854 1027003455 /nfs/dbraw/zinc/00/34/55/1027003455.db2.gz YDUZGXIPJLZTCM-QKFKETGDSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c(C)c1 ZINC000123195434 1027011793 /nfs/dbraw/zinc/01/17/93/1027011793.db2.gz ZAADAQIGVNFHCA-AUUYWEPGSA-N 1 2 336.439 3.705 20 0 EHADLO CC(C)c1cc(N2CCN(c3ccc(F)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000301976581 1027011818 /nfs/dbraw/zinc/01/18/18/1027011818.db2.gz COHAPLQOWYJLJU-UHFFFAOYSA-N 1 2 343.450 3.584 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CCC1(F)F ZINC000582718348 1027029158 /nfs/dbraw/zinc/02/91/58/1027029158.db2.gz HHLLVQNBZJXEBR-VIFPVBQESA-N 1 2 348.187 3.655 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CCC1(F)F ZINC000582718348 1027029167 /nfs/dbraw/zinc/02/91/67/1027029167.db2.gz HHLLVQNBZJXEBR-VIFPVBQESA-N 1 2 348.187 3.655 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000248405126 1027030765 /nfs/dbraw/zinc/03/07/65/1027030765.db2.gz ALVAVRDBNYMVPF-AYBZRNKSSA-N 1 2 338.455 3.592 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000074549605 1027036489 /nfs/dbraw/zinc/03/64/89/1027036489.db2.gz ORVVVLICLIVSPJ-KRWDZBQOSA-N 1 2 329.444 3.576 20 0 EHADLO Cc1nc(NC[C@@H](C[C@@H](C)O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302056978 1027037246 /nfs/dbraw/zinc/03/72/46/1027037246.db2.gz AKYKDXYSYXPMAZ-RHSMWYFYSA-N 1 2 325.456 3.630 20 0 EHADLO Cc1nc(N[C@@H](c2nnc3ccccn32)C(C)C)c2c([nH+]1)CCCC2 ZINC000302062506 1027040439 /nfs/dbraw/zinc/04/04/39/1027040439.db2.gz BYCCXCHVHSMORV-QGZVFWFLSA-N 1 2 336.443 3.516 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000074581581 1027053405 /nfs/dbraw/zinc/05/34/05/1027053405.db2.gz FLBIMNBVZYJRFQ-KRWDZBQOSA-N 1 2 349.409 3.950 20 0 EHADLO Cc1nc(N2CCC[C@@H]2C[C@H](O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302109607 1027056270 /nfs/dbraw/zinc/05/62/70/1027056270.db2.gz SZKUPSATDVUYCF-PBHICJAKSA-N 1 2 343.496 3.818 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)n1 ZINC000925246618 1027063032 /nfs/dbraw/zinc/06/30/32/1027063032.db2.gz MJWDKONDRFUNSO-CQSZACIVSA-N 1 2 328.460 3.554 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc(F)cc(Cl)c1 ZINC000153137841 1027075037 /nfs/dbraw/zinc/07/50/37/1027075037.db2.gz UUAIXKUJSCFBEP-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO c1[nH+]c2c(n1CCc1ccccc1)CCN(c1nc3ccccc3[nH]1)C2 ZINC000302178894 1027081091 /nfs/dbraw/zinc/08/10/91/1027081091.db2.gz RLEJHNJMNNRNJA-UHFFFAOYSA-N 1 2 343.434 3.565 20 0 EHADLO Cc1nc(N2CCO[C@H](c3cccc(Cl)c3)C2)c2c([nH+]1)CCCC2 ZINC000302191678 1027084712 /nfs/dbraw/zinc/08/47/12/1027084712.db2.gz BPIMUHLDZMDZGU-SFHVURJKSA-N 1 2 343.858 3.895 20 0 EHADLO CCCN(Cc1c(F)cccc1Cl)C(=O)CCc1c[nH+]cn1C ZINC000280760842 1027108847 /nfs/dbraw/zinc/10/88/47/1027108847.db2.gz DLPOJKFZLGFLOS-UHFFFAOYSA-N 1 2 337.826 3.584 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000125670279 1027109797 /nfs/dbraw/zinc/10/97/97/1027109797.db2.gz QUMXHDKKXRJVFX-NRFANRHFSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000125670279 1027109806 /nfs/dbraw/zinc/10/98/06/1027109806.db2.gz QUMXHDKKXRJVFX-NRFANRHFSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1cc(N2CCC(O)(Cc3cccc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000302287195 1027117833 /nfs/dbraw/zinc/11/78/33/1027117833.db2.gz VYJXUVLBTRBMFP-UHFFFAOYSA-N 1 2 343.446 3.622 20 0 EHADLO CCN1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1=O ZINC000342795415 1027121071 /nfs/dbraw/zinc/12/10/71/1027121071.db2.gz GQVSVJOLIBGCJS-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO CCN1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1=O ZINC000342795415 1027121083 /nfs/dbraw/zinc/12/10/83/1027121083.db2.gz GQVSVJOLIBGCJS-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000272797625 1027121871 /nfs/dbraw/zinc/12/18/71/1027121871.db2.gz DGJFMXMKLHLQKD-ZDUSSCGKSA-N 1 2 326.444 3.658 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CCCCS3)n2)c1 ZINC000272840789 1027140004 /nfs/dbraw/zinc/14/00/04/1027140004.db2.gz OAAPLEPUGWSATB-INIZCTEOSA-N 1 2 345.468 3.527 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000075534252 1027145069 /nfs/dbraw/zinc/14/50/69/1027145069.db2.gz IAHDOHBGDOYLIR-ZIAGYGMSSA-N 1 2 347.846 3.545 20 0 EHADLO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534068 1027145183 /nfs/dbraw/zinc/14/51/83/1027145183.db2.gz BPVWSSRSDYIAEJ-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000125976432 1027146438 /nfs/dbraw/zinc/14/64/38/1027146438.db2.gz KKLGLLVKFMTODU-YJYMSZOUSA-N 1 2 336.439 3.705 20 0 EHADLO COc1cccc2c(NCC(=O)N3CCCc4ccccc43)cc[nH+]c12 ZINC000302429304 1027150822 /nfs/dbraw/zinc/15/08/22/1027150822.db2.gz KVZFWSNSCJOFNG-UHFFFAOYSA-N 1 2 347.418 3.635 20 0 EHADLO CN(C)c1ccc(Nc2nn3cc(C4CCCC4)nc3s2)c[nH+]1 ZINC000302482492 1027164799 /nfs/dbraw/zinc/16/47/99/1027164799.db2.gz WTCJJWQCLYPCAO-UHFFFAOYSA-N 1 2 328.445 3.653 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccccc2F)CCCC1 ZINC000075551763 1027167741 /nfs/dbraw/zinc/16/77/41/1027167741.db2.gz QXKXYPPPXWQMCF-OAHLLOKOSA-N 1 2 341.430 3.767 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)csc2C1 ZINC000075552449 1027168283 /nfs/dbraw/zinc/16/82/83/1027168283.db2.gz WXEFKTXBUUNTQG-STQMWFEESA-N 1 2 329.469 3.616 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000123340381 1027177122 /nfs/dbraw/zinc/17/71/22/1027177122.db2.gz PFGDWXNHTSOLQZ-UHFFFAOYSA-N 1 2 349.438 3.952 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCOc2cc(C)cc(C)c2)n1 ZINC000075887318 1027202366 /nfs/dbraw/zinc/20/23/66/1027202366.db2.gz MXFPKTSKWBOKAM-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCOc2cc(C)cc(C)c2)n1 ZINC000075887318 1027202388 /nfs/dbraw/zinc/20/23/88/1027202388.db2.gz MXFPKTSKWBOKAM-MRXNPFEDSA-N 1 2 347.459 3.685 20 0 EHADLO c1cn(-c2ccccc2CNc2nnc(Cc3ccccc3)s2)c[nH+]1 ZINC000302671077 1027233245 /nfs/dbraw/zinc/23/32/45/1027233245.db2.gz NYYWQYWSRHIQID-UHFFFAOYSA-N 1 2 347.447 3.927 20 0 EHADLO CCC[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(OC)cc1 ZINC000531713829 1027240836 /nfs/dbraw/zinc/24/08/36/1027240836.db2.gz JTUPSFGVRMEYTM-CQSZACIVSA-N 1 2 338.249 3.812 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@@]1=O ZINC000342806044 1027242388 /nfs/dbraw/zinc/24/23/88/1027242388.db2.gz IJABHGXDSRBRCK-PEBXRYMYSA-N 1 2 333.884 3.960 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC[S@@]1=O ZINC000342806044 1027242403 /nfs/dbraw/zinc/24/24/03/1027242403.db2.gz IJABHGXDSRBRCK-PEBXRYMYSA-N 1 2 333.884 3.960 20 0 EHADLO Cc1cccc([C@@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000273048338 1027243893 /nfs/dbraw/zinc/24/38/93/1027243893.db2.gz FWKVVVCGQHJXMN-OAQYLSRUSA-N 1 2 345.446 3.870 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3C(C)(C)C)cn2c1 ZINC000513714439 1027270183 /nfs/dbraw/zinc/27/01/83/1027270183.db2.gz CGDSJUSDLQNUAF-MRXNPFEDSA-N 1 2 345.512 3.913 20 0 EHADLO CCCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000127361702 1027300294 /nfs/dbraw/zinc/30/02/94/1027300294.db2.gz WEMVUQBKMFPETK-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000127361702 1027300313 /nfs/dbraw/zinc/30/03/13/1027300313.db2.gz WEMVUQBKMFPETK-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO O=C(CCc1ccnc2ccccc12)NCCCCNc1cccc[nH+]1 ZINC000076592230 1027302609 /nfs/dbraw/zinc/30/26/09/1027302609.db2.gz WCBLJWUOARABFF-UHFFFAOYSA-N 1 2 348.450 3.571 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123436078 1027305222 /nfs/dbraw/zinc/30/52/22/1027305222.db2.gz AWRRLHZOJOYGGN-MEBBXXQBSA-N 1 2 339.773 3.538 20 0 EHADLO Cc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1Br ZINC000302844469 1027322899 /nfs/dbraw/zinc/32/28/99/1027322899.db2.gz NIQGAYAAKFGENN-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1Br ZINC000302844469 1027322922 /nfs/dbraw/zinc/32/29/22/1027322922.db2.gz NIQGAYAAKFGENN-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3cccc(O)c3)n2)cc1 ZINC000531765195 1027340589 /nfs/dbraw/zinc/34/05/89/1027340589.db2.gz KNDDMYWUGYBNHV-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3cccc(O)c3)n2)cc1 ZINC000531765195 1027340605 /nfs/dbraw/zinc/34/06/05/1027340605.db2.gz KNDDMYWUGYBNHV-CYBMUJFWSA-N 1 2 339.395 3.644 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCC1)c1ccc(Cl)cc1 ZINC000453087480 1027344781 /nfs/dbraw/zinc/34/47/81/1027344781.db2.gz PYNVHTYVPQELOZ-QGZVFWFLSA-N 1 2 333.863 3.712 20 0 EHADLO Cc1ccc(-c2nc(CCNc3cc(N4CCCC4)nc[nH+]3)co2)cc1 ZINC000302903136 1027352495 /nfs/dbraw/zinc/35/24/95/1027352495.db2.gz RHCBHESULYATRY-UHFFFAOYSA-N 1 2 349.438 3.695 20 0 EHADLO Cc1ccc(-c2nc(CCNc3cc(N4CCCC4)[nH+]cn3)co2)cc1 ZINC000302903136 1027352509 /nfs/dbraw/zinc/35/25/09/1027352509.db2.gz RHCBHESULYATRY-UHFFFAOYSA-N 1 2 349.438 3.695 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000414443026 1027365541 /nfs/dbraw/zinc/36/55/41/1027365541.db2.gz MWGCCAFIPOVHIS-UHFFFAOYSA-N 1 2 336.414 3.879 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000414443026 1027365555 /nfs/dbraw/zinc/36/55/55/1027365555.db2.gz MWGCCAFIPOVHIS-UHFFFAOYSA-N 1 2 336.414 3.879 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000501602195 1027384674 /nfs/dbraw/zinc/38/46/74/1027384674.db2.gz HQLUPHKQQZGIFF-MCJMZAJRSA-N 1 2 342.527 3.913 20 0 EHADLO CCCOc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000128188413 1027402899 /nfs/dbraw/zinc/40/28/99/1027402899.db2.gz HYORXHJBVRPCPA-GOSISDBHSA-N 1 2 341.411 3.556 20 0 EHADLO CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454226006 1027418183 /nfs/dbraw/zinc/41/81/83/1027418183.db2.gz ROYIEYDRJKJPIG-SJORKVTESA-N 1 2 340.471 3.557 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(OC[C@H]2CCCO2)c1 ZINC000453150425 1027419497 /nfs/dbraw/zinc/41/94/97/1027419497.db2.gz XVHOTWJNDYKOSH-KBAYOESNSA-N 1 2 341.455 3.545 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000128631645 1027462059 /nfs/dbraw/zinc/46/20/59/1027462059.db2.gz MSXCZMXBZSUNSO-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO Cc1cccc2sc(N3CCC[N@H+](Cc4cscn4)CC3)nc21 ZINC000892297066 1027479411 /nfs/dbraw/zinc/47/94/11/1027479411.db2.gz ASIIDBOLWWTDJH-UHFFFAOYSA-N 1 2 344.509 3.774 20 0 EHADLO Cc1cccc2sc(N3CCC[N@@H+](Cc4cscn4)CC3)nc21 ZINC000892297066 1027479414 /nfs/dbraw/zinc/47/94/14/1027479414.db2.gz ASIIDBOLWWTDJH-UHFFFAOYSA-N 1 2 344.509 3.774 20 0 EHADLO CCCn1c(C[NH2+]Cc2c(OC)cccc2OC)nc2ccccc21 ZINC000657586464 1027505620 /nfs/dbraw/zinc/50/56/20/1027505620.db2.gz WCLAUTKNNAHDKF-UHFFFAOYSA-N 1 2 339.439 3.753 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000128981471 1027507078 /nfs/dbraw/zinc/50/70/78/1027507078.db2.gz LEVFYUFASGBLFU-KBPBESRZSA-N 1 2 334.510 3.819 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000507193949 1027561340 /nfs/dbraw/zinc/56/13/40/1027561340.db2.gz WGUGDDUXBZRONO-SNVBAGLBSA-N 1 2 333.304 3.917 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000507193949 1027561350 /nfs/dbraw/zinc/56/13/50/1027561350.db2.gz WGUGDDUXBZRONO-SNVBAGLBSA-N 1 2 333.304 3.917 20 0 EHADLO CC[C@](C)(NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000664252463 1027599191 /nfs/dbraw/zinc/59/91/91/1027599191.db2.gz OOHNJMYRFXQHBZ-PXNSSMCTSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@@H]1C[N@H+](Cc2noc(C3CCOCC3)n2)CC[C@@H]1c1ccccc1 ZINC000129777647 1027599591 /nfs/dbraw/zinc/59/95/91/1027599591.db2.gz FXGKTAVNIBLMQW-QAPCUYQASA-N 1 2 341.455 3.589 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2noc(C3CCOCC3)n2)CC[C@@H]1c1ccccc1 ZINC000129777647 1027599602 /nfs/dbraw/zinc/59/96/02/1027599602.db2.gz FXGKTAVNIBLMQW-QAPCUYQASA-N 1 2 341.455 3.589 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252373 1027610429 /nfs/dbraw/zinc/61/04/29/1027610429.db2.gz NFICBFYRLPHSEN-DOTOQJQBSA-N 1 2 328.460 3.534 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000320942896 1027622688 /nfs/dbraw/zinc/62/26/88/1027622688.db2.gz FZZAMVYUMVBVLV-NSHDSACASA-N 1 2 347.789 3.717 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000320942896 1027622691 /nfs/dbraw/zinc/62/26/91/1027622691.db2.gz FZZAMVYUMVBVLV-NSHDSACASA-N 1 2 347.789 3.717 20 0 EHADLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000414461990 1027633486 /nfs/dbraw/zinc/63/34/86/1027633486.db2.gz PGSMUWZEEQSRFK-UHFFFAOYSA-N 1 2 344.889 3.572 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccccc2)CC(F)F)cc(C)[nH+]1 ZINC000422217155 1027654161 /nfs/dbraw/zinc/65/41/61/1027654161.db2.gz WBWNJXXCENOACN-UHFFFAOYSA-N 1 2 333.382 3.675 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3cccnc3)CC2)cc(C(F)(F)F)c1 ZINC001143447372 1027671679 /nfs/dbraw/zinc/67/16/79/1027671679.db2.gz CSGAWZITDWFQQH-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000130740822 1027698763 /nfs/dbraw/zinc/69/87/63/1027698763.db2.gz WAAKQRZZENODHU-UHFFFAOYSA-N 1 2 346.381 3.647 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000130740822 1027698775 /nfs/dbraw/zinc/69/87/75/1027698775.db2.gz WAAKQRZZENODHU-UHFFFAOYSA-N 1 2 346.381 3.647 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130740924 1027699412 /nfs/dbraw/zinc/69/94/12/1027699412.db2.gz XAJXHRBPASECBS-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO FC1(F)C[NH2+]CC=C1Cc1nc(-c2ccc3sccc3c2)no1 ZINC001211899794 1027701282 /nfs/dbraw/zinc/70/12/82/1027701282.db2.gz MAOBTKFQVLNBNU-UHFFFAOYSA-N 1 2 333.363 3.659 20 0 EHADLO CCCC[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000503292547 1027705146 /nfs/dbraw/zinc/70/51/46/1027705146.db2.gz TUTKXTUZKRTLPK-OALUTQOASA-N 1 2 346.515 3.562 20 0 EHADLO CCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)C)cc1 ZINC000665818037 1027707429 /nfs/dbraw/zinc/70/74/29/1027707429.db2.gz CBCBISZOXZWXFG-ZHALLVOQSA-N 1 2 325.456 3.600 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC001143447692 1027711094 /nfs/dbraw/zinc/71/10/94/1027711094.db2.gz GDUBGCXFTHBNQQ-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000420774376 1027720488 /nfs/dbraw/zinc/72/04/88/1027720488.db2.gz RZDUKQKBTUAOBO-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000475587775 1027721512 /nfs/dbraw/zinc/72/15/12/1027721512.db2.gz KMYZGVAJDSTDAG-BEFAXECRSA-N 1 2 329.415 3.693 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)cc(C)[nH+]1 ZINC000420773994 1027721825 /nfs/dbraw/zinc/72/18/25/1027721825.db2.gz RHSLAOXZSYYWRL-INIZCTEOSA-N 1 2 345.443 3.874 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](C)Sc2ccccc2)cc(C)[nH+]1 ZINC000420800510 1027738502 /nfs/dbraw/zinc/73/85/02/1027738502.db2.gz QBVGCNXXKOTCTH-OAHLLOKOSA-N 1 2 329.469 3.678 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503369222 1027744585 /nfs/dbraw/zinc/74/45/85/1027744585.db2.gz OVJMNDNWBUORQO-KUHUBIRLSA-N 1 2 338.842 3.946 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000131262241 1027756246 /nfs/dbraw/zinc/75/62/46/1027756246.db2.gz RLMZSPTXXJZHGG-CQSZACIVSA-N 1 2 331.803 3.729 20 0 EHADLO CCOc1cc(Cl)ccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420824935 1027759301 /nfs/dbraw/zinc/75/93/01/1027759301.db2.gz YCWZSSOZHNKLFG-UHFFFAOYSA-N 1 2 347.846 3.750 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000444444879 1027765408 /nfs/dbraw/zinc/76/54/08/1027765408.db2.gz BMRJLKSJEPGAIW-UHFFFAOYSA-N 1 2 330.391 3.973 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434193893 1027770727 /nfs/dbraw/zinc/77/07/27/1027770727.db2.gz ODQKXVJUJSKHPZ-GOSISDBHSA-N 1 2 333.476 3.705 20 0 EHADLO CCCc1nc(C)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000582804682 1027771901 /nfs/dbraw/zinc/77/19/01/1027771901.db2.gz FBLGXLSSUSSUQD-UHFFFAOYSA-N 1 2 340.452 3.901 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000420840727 1027782534 /nfs/dbraw/zinc/78/25/34/1027782534.db2.gz BEQROEHTTGLFHK-YJBOKZPZSA-N 1 2 341.430 3.925 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc(C)[nH+]1 ZINC000420841672 1027784501 /nfs/dbraw/zinc/78/45/01/1027784501.db2.gz CNAKIAQDSIZQMG-TZMCWYRMSA-N 1 2 329.366 3.571 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(OC)cc1 ZINC000420845842 1027787850 /nfs/dbraw/zinc/78/78/50/1027787850.db2.gz IKZYMHIQVLOWRD-GOSISDBHSA-N 1 2 327.428 3.658 20 0 EHADLO Cc1cnc(C2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)CC2)s1 ZINC000420847893 1027788782 /nfs/dbraw/zinc/78/87/82/1027788782.db2.gz KVSATKYCQCRGLP-UHFFFAOYSA-N 1 2 344.484 3.553 20 0 EHADLO CCN(CCOc1ccccc1C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000420856189 1027800061 /nfs/dbraw/zinc/80/00/61/1027800061.db2.gz DZZWEYCAFLXXBX-UHFFFAOYSA-N 1 2 341.455 3.617 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Oc2ccccc2)cc1 ZINC000131659279 1027805013 /nfs/dbraw/zinc/80/50/13/1027805013.db2.gz SHRBVTBCJOLARJ-MRXNPFEDSA-N 1 2 347.418 3.901 20 0 EHADLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131778470 1027818451 /nfs/dbraw/zinc/81/84/51/1027818451.db2.gz NQEHXCICPXBDSD-AZUAARDMSA-N 1 2 347.418 3.522 20 0 EHADLO CCN(CCOc1ccccc1C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420864534 1027824278 /nfs/dbraw/zinc/82/42/78/1027824278.db2.gz UCBKGQLEJRJSBX-UHFFFAOYSA-N 1 2 341.455 3.617 20 0 EHADLO CC[C@H](C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000420869624 1027831330 /nfs/dbraw/zinc/83/13/30/1027831330.db2.gz FYLADXPVGDRSPG-KBXCAEBGSA-N 1 2 328.460 3.587 20 0 EHADLO Cc1ccc(C[NH2+]Cc2ncc(CN(C)C)s2)c2ccccc12 ZINC000414478202 1027839626 /nfs/dbraw/zinc/83/96/26/1027839626.db2.gz FJVKCOVBYHKEAE-UHFFFAOYSA-N 1 2 325.481 3.956 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883020 1027867755 /nfs/dbraw/zinc/86/77/55/1027867755.db2.gz WWNZCOWPESMJOD-DOMZBBRYSA-N 1 2 326.425 3.776 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883020 1027867775 /nfs/dbraw/zinc/86/77/75/1027867775.db2.gz WWNZCOWPESMJOD-DOMZBBRYSA-N 1 2 326.425 3.776 20 0 EHADLO Fc1ccccc1[C@@]1(F)CC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000338999168 1027885103 /nfs/dbraw/zinc/88/51/03/1027885103.db2.gz WFNCFPSPSCELNT-OAHLLOKOSA-N 1 2 345.315 3.655 20 0 EHADLO Fc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000338999168 1027885125 /nfs/dbraw/zinc/88/51/25/1027885125.db2.gz WFNCFPSPSCELNT-OAHLLOKOSA-N 1 2 345.315 3.655 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000503570679 1027909945 /nfs/dbraw/zinc/90/99/45/1027909945.db2.gz JYVSKHYLTABOPX-LBCSWSGLSA-N 1 2 345.430 3.809 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000503570679 1027909958 /nfs/dbraw/zinc/90/99/58/1027909958.db2.gz JYVSKHYLTABOPX-LBCSWSGLSA-N 1 2 345.430 3.809 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H]1CC ZINC000455249773 1027915771 /nfs/dbraw/zinc/91/57/71/1027915771.db2.gz IESYINYQTXEGMO-IRXDYDNUSA-N 1 2 334.508 3.693 20 0 EHADLO CC[C@H]1C[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@H](CC)O1 ZINC000420964335 1027931662 /nfs/dbraw/zinc/93/16/62/1027931662.db2.gz WTGHZRFVOROLSY-IRXDYDNUSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536619885 1027951724 /nfs/dbraw/zinc/95/17/24/1027951724.db2.gz PMESTAVNVGWFDQ-XJKSGUPXSA-N 1 2 349.356 3.817 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000132678343 1027952253 /nfs/dbraw/zinc/95/22/53/1027952253.db2.gz UWBSRVLHHHXASE-SJORKVTESA-N 1 2 331.504 3.808 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002629 1027980697 /nfs/dbraw/zinc/98/06/97/1027980697.db2.gz DPTFCQYKLYHFFQ-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002629 1027980714 /nfs/dbraw/zinc/98/07/14/1027980714.db2.gz DPTFCQYKLYHFFQ-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000133026909 1027992989 /nfs/dbraw/zinc/99/29/89/1027992989.db2.gz KDJGLUAJPJGHJW-JKSUJKDBSA-N 1 2 339.345 3.893 20 0 EHADLO CCn1nncc1C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000459366158 1028002943 /nfs/dbraw/zinc/00/29/43/1028002943.db2.gz NFITXUPSBGJDBR-AWEZNQCLSA-N 1 2 341.484 3.923 20 0 EHADLO CCn1nncc1C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000459366158 1028002961 /nfs/dbraw/zinc/00/29/61/1028002961.db2.gz NFITXUPSBGJDBR-AWEZNQCLSA-N 1 2 341.484 3.923 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)o1 ZINC000421018231 1028003520 /nfs/dbraw/zinc/00/35/20/1028003520.db2.gz WERAHUZYTFKRMV-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+](C)C2CC(OC(C)(C)C)C2)o1 ZINC000421018231 1028003542 /nfs/dbraw/zinc/00/35/42/1028003542.db2.gz WERAHUZYTFKRMV-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO CCCCCC[N@H+](CC(=O)N(C)c1nccs1)Cc1ccco1 ZINC000934710364 1028025949 /nfs/dbraw/zinc/02/59/49/1028025949.db2.gz YMSFRMBSVVARFE-UHFFFAOYSA-N 1 2 335.473 3.781 20 0 EHADLO CCCCCC[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccco1 ZINC000934710364 1028025964 /nfs/dbraw/zinc/02/59/64/1028025964.db2.gz YMSFRMBSVVARFE-UHFFFAOYSA-N 1 2 335.473 3.781 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c[nH+]1 ZINC000454259113 1028028079 /nfs/dbraw/zinc/02/80/79/1028028079.db2.gz DPFJHUGJFAWDLK-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Oc2ccccc2)cn1 ZINC000685040628 1028029638 /nfs/dbraw/zinc/02/96/38/1028029638.db2.gz MBCALSVTKIVPEB-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421086716 1028072743 /nfs/dbraw/zinc/07/27/43/1028072743.db2.gz JCAOFPAHWINFJO-UHFFFAOYSA-N 1 2 340.427 3.759 20 0 EHADLO CC(C)=CC[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502360510 1028143126 /nfs/dbraw/zinc/14/31/26/1028143126.db2.gz QFTNVYMQZGARSY-FQEVSTJZSA-N 1 2 339.483 3.888 20 0 EHADLO CC(C)=CC[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502360510 1028143133 /nfs/dbraw/zinc/14/31/33/1028143133.db2.gz QFTNVYMQZGARSY-FQEVSTJZSA-N 1 2 339.483 3.888 20 0 EHADLO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1F ZINC000444689876 1028159154 /nfs/dbraw/zinc/15/91/54/1028159154.db2.gz HSSUEGNMEHGBDE-OAQYLSRUSA-N 1 2 325.836 3.719 20 0 EHADLO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1F ZINC000444689876 1028159168 /nfs/dbraw/zinc/15/91/68/1028159168.db2.gz HSSUEGNMEHGBDE-OAQYLSRUSA-N 1 2 325.836 3.719 20 0 EHADLO c1ccc([C@H]2C[N@@H+](Cc3nnc4n3CCCC4)Cc3ccccc32)cc1 ZINC000269312320 1028167377 /nfs/dbraw/zinc/16/73/77/1028167377.db2.gz GFEVQAPUYSPLMT-HXUWFJFHSA-N 1 2 344.462 3.762 20 0 EHADLO c1ccc([C@H]2C[N@H+](Cc3nnc4n3CCCC4)Cc3ccccc32)cc1 ZINC000269312320 1028167400 /nfs/dbraw/zinc/16/74/00/1028167400.db2.gz GFEVQAPUYSPLMT-HXUWFJFHSA-N 1 2 344.462 3.762 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+]Cc2ccc(OCC3CC3)cc2)n1 ZINC000414505613 1028189240 /nfs/dbraw/zinc/18/92/40/1028189240.db2.gz MEWOCZBOSQTINT-UHFFFAOYSA-N 1 2 337.345 3.574 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152504738 1028189978 /nfs/dbraw/zinc/18/99/78/1028189978.db2.gz CFALUZQIHOXRPM-GOEBONIOSA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152504738 1028189987 /nfs/dbraw/zinc/18/99/87/1028189987.db2.gz CFALUZQIHOXRPM-GOEBONIOSA-N 1 2 326.843 3.777 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000135567925 1028204340 /nfs/dbraw/zinc/20/43/40/1028204340.db2.gz JJQOZJKHUXTQJR-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000135567925 1028204350 /nfs/dbraw/zinc/20/43/50/1028204350.db2.gz JJQOZJKHUXTQJR-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO COc1cc(C)c(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000455476886 1028209966 /nfs/dbraw/zinc/20/99/66/1028209966.db2.gz LVRWPAHKNMMXEO-UHFFFAOYSA-N 1 2 329.400 3.976 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727116 1028220758 /nfs/dbraw/zinc/22/07/58/1028220758.db2.gz POFTVLVPHCDIRV-NTZNESFSSA-N 1 2 334.382 3.668 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727116 1028220774 /nfs/dbraw/zinc/22/07/74/1028220774.db2.gz POFTVLVPHCDIRV-NTZNESFSSA-N 1 2 334.382 3.668 20 0 EHADLO C[C@@H](Nc1cc(N[C@H](C)c2cscn2)[nH+]cn1)c1cscn1 ZINC000664262635 1028225051 /nfs/dbraw/zinc/22/50/51/1028225051.db2.gz DSQZQOTUNLZUHE-NXEZZACHSA-N 1 2 332.458 3.736 20 0 EHADLO CCCCOc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454275134 1028234885 /nfs/dbraw/zinc/23/48/85/1028234885.db2.gz RRPXVRIBXCDZBJ-UHFFFAOYSA-N 1 2 341.455 3.877 20 0 EHADLO CC(C)Cn1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000153584445 1028244112 /nfs/dbraw/zinc/24/41/12/1028244112.db2.gz SXOOQFODDUMODI-INIZCTEOSA-N 1 2 338.455 3.560 20 0 EHADLO COc1cccc(C[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455483033 1028251782 /nfs/dbraw/zinc/25/17/82/1028251782.db2.gz PVQXHZJVNIJMEM-CQSZACIVSA-N 1 2 327.428 3.768 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)s1 ZINC000342936602 1028253189 /nfs/dbraw/zinc/25/31/89/1028253189.db2.gz DBYWRTXLBZHTEJ-HNNXBMFYSA-N 1 2 330.453 3.527 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)s1 ZINC000342936602 1028253201 /nfs/dbraw/zinc/25/32/01/1028253201.db2.gz DBYWRTXLBZHTEJ-HNNXBMFYSA-N 1 2 330.453 3.527 20 0 EHADLO COCCN(CCc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455490724 1028262084 /nfs/dbraw/zinc/26/20/84/1028262084.db2.gz XJCGDZMWJOTMEQ-UHFFFAOYSA-N 1 2 341.455 3.730 20 0 EHADLO COCCCC[N@H+](Cc1nn(C)c(C)c1Cl)Cc1ccccc1 ZINC000421323989 1028268890 /nfs/dbraw/zinc/26/88/90/1028268890.db2.gz XDBHFPQRXFLMKO-UHFFFAOYSA-N 1 2 335.879 3.811 20 0 EHADLO COCCCC[N@@H+](Cc1nn(C)c(C)c1Cl)Cc1ccccc1 ZINC000421323989 1028268912 /nfs/dbraw/zinc/26/89/12/1028268912.db2.gz XDBHFPQRXFLMKO-UHFFFAOYSA-N 1 2 335.879 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2cc(F)c(F)c(F)c2)c(C)[nH+]1 ZINC000455506333 1028284544 /nfs/dbraw/zinc/28/45/44/1028284544.db2.gz YAOZQRNTPNPYLU-UHFFFAOYSA-N 1 2 337.345 3.788 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681197 1028308658 /nfs/dbraw/zinc/30/86/58/1028308658.db2.gz WUZYFNQOPFINOU-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533681197 1028308676 /nfs/dbraw/zinc/30/86/76/1028308676.db2.gz WUZYFNQOPFINOU-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c[nH+]1 ZINC000455535777 1028313651 /nfs/dbraw/zinc/31/36/51/1028313651.db2.gz BFXAVBJWPQXJDC-HIFRSBDPSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1cc(F)cc(-c2cncc(C3CC3)c2)c1C[NH+]1CCOCC1 ZINC001204598728 1028337104 /nfs/dbraw/zinc/33/71/04/1028337104.db2.gz WGWMDQNGFWXIPQ-UHFFFAOYSA-N 1 2 326.415 3.906 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)nn1C ZINC000421380619 1028343729 /nfs/dbraw/zinc/34/37/29/1028343729.db2.gz KIOFCJXSMMKHRY-AWEZNQCLSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)nn1C ZINC000421380619 1028343743 /nfs/dbraw/zinc/34/37/43/1028343743.db2.gz KIOFCJXSMMKHRY-AWEZNQCLSA-N 1 2 340.254 3.689 20 0 EHADLO CN(CCCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895434 1028344294 /nfs/dbraw/zinc/34/42/94/1028344294.db2.gz BFYHRYVFKUESPY-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(F)F)C2)n1 ZINC000066962090 1028350384 /nfs/dbraw/zinc/35/03/84/1028350384.db2.gz YLECPSFDTKHTMB-GFCCVEGCSA-N 1 2 347.369 3.502 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(F)F)C2)n1 ZINC000066962090 1028350399 /nfs/dbraw/zinc/35/03/99/1028350399.db2.gz YLECPSFDTKHTMB-GFCCVEGCSA-N 1 2 347.369 3.502 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@]23CCOC3)cc1OCC ZINC000421404553 1028351164 /nfs/dbraw/zinc/35/11/64/1028351164.db2.gz ZDIRVHBFEWWELU-SFHVURJKSA-N 1 2 339.863 3.892 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@]23CCOC3)cc1OCC ZINC000421404553 1028351183 /nfs/dbraw/zinc/35/11/83/1028351183.db2.gz ZDIRVHBFEWWELU-SFHVURJKSA-N 1 2 339.863 3.892 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N1CCC(C)CC1 ZINC000067133041 1028357706 /nfs/dbraw/zinc/35/77/06/1028357706.db2.gz SFOBUFFXKJYTCF-VQIMIIECSA-N 1 2 326.440 3.606 20 0 EHADLO Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582967642 1028407650 /nfs/dbraw/zinc/40/76/50/1028407650.db2.gz GNGPKKKMCBUAIQ-NSHDSACASA-N 1 2 335.810 3.915 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cccc(Oc3ccccn3)c1)C2 ZINC000897333758 1028430339 /nfs/dbraw/zinc/43/03/39/1028430339.db2.gz NJTNAHVGPZZSSW-UHFFFAOYSA-N 1 2 334.423 3.649 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ncc[nH]2)cc1 ZINC000423442172 1028432243 /nfs/dbraw/zinc/43/22/43/1028432243.db2.gz JLWIVWCBYXWYHS-IBGZPJMESA-N 1 2 336.414 3.786 20 0 EHADLO COc1cc(C)sc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000070802991 1028462996 /nfs/dbraw/zinc/46/29/96/1028462996.db2.gz QWNZQQZRUYPHPH-UHFFFAOYSA-N 1 2 331.372 3.642 20 0 EHADLO CC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523609551 1028465578 /nfs/dbraw/zinc/46/55/78/1028465578.db2.gz YBIJQGDUZFRIBU-LBPRGKRZSA-N 1 2 336.284 3.642 20 0 EHADLO CC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523609551 1028465584 /nfs/dbraw/zinc/46/55/84/1028465584.db2.gz YBIJQGDUZFRIBU-LBPRGKRZSA-N 1 2 336.284 3.642 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1cnn(C)c1 ZINC000162127889 1028467737 /nfs/dbraw/zinc/46/77/37/1028467737.db2.gz AGBVSHFXSDRVRD-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(Cl)cc1 ZINC000121812336 1028475595 /nfs/dbraw/zinc/47/55/95/1028475595.db2.gz NOEUKEABHQXTOE-UHFFFAOYSA-N 1 2 333.848 3.607 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421497387 1028479794 /nfs/dbraw/zinc/47/97/94/1028479794.db2.gz HIOZRGTUQURPAR-OTWHNJEPSA-N 1 2 341.499 3.583 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475623030 1028548541 /nfs/dbraw/zinc/54/85/41/1028548541.db2.gz XFUVRZQTPXHEON-WBMJQRKESA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000475623030 1028548556 /nfs/dbraw/zinc/54/85/56/1028548556.db2.gz XFUVRZQTPXHEON-WBMJQRKESA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000079250969 1028555204 /nfs/dbraw/zinc/55/52/04/1028555204.db2.gz PKZVZPBQBYHUJC-QGZVFWFLSA-N 1 2 348.450 3.534 20 0 EHADLO Cc1cc(CNC(=O)C2(c3ccc(F)cc3F)CCC2)cc(C)[nH+]1 ZINC000421573767 1028568230 /nfs/dbraw/zinc/56/82/30/1028568230.db2.gz BZFHEBMASUTJCY-UHFFFAOYSA-N 1 2 330.378 3.715 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001167648764 1028569141 /nfs/dbraw/zinc/56/91/41/1028569141.db2.gz XXBSXIULPXXRSK-HNNXBMFYSA-N 1 2 343.826 3.664 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001167648764 1028569154 /nfs/dbraw/zinc/56/91/54/1028569154.db2.gz XXBSXIULPXXRSK-HNNXBMFYSA-N 1 2 343.826 3.664 20 0 EHADLO Cc1cc(CNC(=O)c2c(C)cccc2Br)cc(C)[nH+]1 ZINC000421574342 1028570206 /nfs/dbraw/zinc/57/02/06/1028570206.db2.gz FKKNYNFREMXOAO-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000421576402 1028573110 /nfs/dbraw/zinc/57/31/10/1028573110.db2.gz MFUXPLWOELUDHL-HZPDHXFCSA-N 1 2 346.377 3.720 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3c(F)cccc3F)C2)c[nH+]1 ZINC000455576127 1028577400 /nfs/dbraw/zinc/57/74/00/1028577400.db2.gz SKIPJTUYYZVBAX-AWEZNQCLSA-N 1 2 345.393 3.676 20 0 EHADLO C[NH+](C)[C@@H](CNc1cnc2ccccc2n1)c1c(F)cccc1F ZINC000523756781 1028593398 /nfs/dbraw/zinc/59/33/98/1028593398.db2.gz FPTLNAUKIQHUIF-INIZCTEOSA-N 1 2 328.366 3.623 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000343001099 1028598720 /nfs/dbraw/zinc/59/87/20/1028598720.db2.gz BEWFNAHAWYAOSW-UHFFFAOYSA-N 1 2 338.377 3.736 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccncc1 ZINC000502745482 1028628244 /nfs/dbraw/zinc/62/82/44/1028628244.db2.gz ROAMVZFZAUYFEY-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccncc1 ZINC000502745482 1028628256 /nfs/dbraw/zinc/62/82/56/1028628256.db2.gz ROAMVZFZAUYFEY-QGZVFWFLSA-N 1 2 347.462 3.934 20 0 EHADLO CC(C)c1ccc(CS(=O)(=O)Cc2c[nH+]cn2C)c(C(C)C)c1 ZINC000675153387 1028630851 /nfs/dbraw/zinc/63/08/51/1028630851.db2.gz MFGTVPCDDMQOMW-UHFFFAOYSA-N 1 2 334.485 3.782 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(Cl)c2ccccc21 ZINC000423897519 1028682703 /nfs/dbraw/zinc/68/27/03/1028682703.db2.gz KSMXLNOCYMBBCL-BMIGLBTASA-N 1 2 338.785 3.668 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000065163466 1028707553 /nfs/dbraw/zinc/70/75/53/1028707553.db2.gz IGXRHPQKNGIOME-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCc2ccc(OC)cc2C1 ZINC000065163466 1028707593 /nfs/dbraw/zinc/70/75/93/1028707593.db2.gz IGXRHPQKNGIOME-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO CC(C)(CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000454319551 1028734722 /nfs/dbraw/zinc/73/47/22/1028734722.db2.gz ASVWCRCOAXXHTP-UHFFFAOYSA-N 1 2 340.471 3.557 20 0 EHADLO Oc1c(Br)cc(C[NH2+]CC2CCC2)cc1Br ZINC000236560140 1028740864 /nfs/dbraw/zinc/74/08/64/1028740864.db2.gz CCFVWOFPWQNRKB-UHFFFAOYSA-N 1 2 349.066 3.807 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c[nH+]1 ZINC000454308090 1028749084 /nfs/dbraw/zinc/74/90/84/1028749084.db2.gz URWMGHQORZDBEY-SNVBAGLBSA-N 1 2 330.457 3.601 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398630 1028760153 /nfs/dbraw/zinc/76/01/53/1028760153.db2.gz WYFUEWXYPMHFJQ-KGLIPLIRSA-N 1 2 329.444 3.849 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000445398630 1028760170 /nfs/dbraw/zinc/76/01/70/1028760170.db2.gz WYFUEWXYPMHFJQ-KGLIPLIRSA-N 1 2 329.444 3.849 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000255518436 1028766334 /nfs/dbraw/zinc/76/63/34/1028766334.db2.gz YYOAOYAYMBHETR-UABKOXTMSA-N 1 2 337.467 3.613 20 0 EHADLO Fc1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414551317 1028770602 /nfs/dbraw/zinc/77/06/02/1028770602.db2.gz FHCUAAGXYKFKME-UHFFFAOYSA-N 1 2 342.237 3.607 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000052085808 1028772902 /nfs/dbraw/zinc/77/29/02/1028772902.db2.gz FLXDLIFNTOLGOS-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000052085808 1028772917 /nfs/dbraw/zinc/77/29/17/1028772917.db2.gz FLXDLIFNTOLGOS-ZDUSSCGKSA-N 1 2 334.464 3.837 20 0 EHADLO CCO[C@H](C)c1nc(CN2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000247368466 1028783830 /nfs/dbraw/zinc/78/38/30/1028783830.db2.gz HPDKGOFJUITNMS-FMKPAKJESA-N 1 2 334.489 3.520 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000247472829 1028793429 /nfs/dbraw/zinc/79/34/29/1028793429.db2.gz RVTUTKLTHRCECW-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247553070 1028803202 /nfs/dbraw/zinc/80/32/02/1028803202.db2.gz KNHMZFZXQNPENC-BSIFCXSSSA-N 1 2 337.467 3.587 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccncc2Cl)c(OC)c1 ZINC000421820655 1028804704 /nfs/dbraw/zinc/80/47/04/1028804704.db2.gz NEXZBKLZLFRBBW-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247645001 1028807093 /nfs/dbraw/zinc/80/70/93/1028807093.db2.gz OSWKWLRMGMABTR-LMMKCTJWSA-N 1 2 325.456 3.877 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000637869739 1028809247 /nfs/dbraw/zinc/80/92/47/1028809247.db2.gz XWAKRVJBXCBJRH-CYBMUJFWSA-N 1 2 340.290 3.827 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000637869739 1028809268 /nfs/dbraw/zinc/80/92/68/1028809268.db2.gz XWAKRVJBXCBJRH-CYBMUJFWSA-N 1 2 340.290 3.827 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123121902 1028822041 /nfs/dbraw/zinc/82/20/41/1028822041.db2.gz CXXXKLRCZKGCCC-WMLDXEAASA-N 1 2 331.847 3.579 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nnc3n2CCCCC3)C(C)C)c(F)c1 ZINC000421812990 1028830474 /nfs/dbraw/zinc/83/04/74/1028830474.db2.gz FCHAKUJCCPUTPI-LJQANCHMSA-N 1 2 346.450 3.639 20 0 EHADLO CC1(C)CN(C(=O)Nc2ccc3[nH+]ccn3c2)Cc2ccccc2O1 ZINC000685079585 1028831071 /nfs/dbraw/zinc/83/10/71/1028831071.db2.gz ZEXGHFFCVFMJID-UHFFFAOYSA-N 1 2 336.395 3.539 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000421817524 1028835369 /nfs/dbraw/zinc/83/53/69/1028835369.db2.gz VGFJEFDQHBVSOQ-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO CCCO[C@H]1CCC[N@H+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000247984969 1028837407 /nfs/dbraw/zinc/83/74/07/1028837407.db2.gz ISOYAPXYHYKFPN-KBPBESRZSA-N 1 2 327.494 3.665 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000247984969 1028837420 /nfs/dbraw/zinc/83/74/20/1028837420.db2.gz ISOYAPXYHYKFPN-KBPBESRZSA-N 1 2 327.494 3.665 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)C1(CO)CC1 ZINC000664272749 1028858640 /nfs/dbraw/zinc/85/86/40/1028858640.db2.gz QMVPFFRJEUAFNI-SECBINFHSA-N 1 2 339.208 3.709 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000248183479 1028859096 /nfs/dbraw/zinc/85/90/96/1028859096.db2.gz GBHWYAZGBRISMX-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000248183479 1028859118 /nfs/dbraw/zinc/85/91/18/1028859118.db2.gz GBHWYAZGBRISMX-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO COCc1nc(C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)cs1 ZINC000421864683 1028860681 /nfs/dbraw/zinc/86/06/81/1028860681.db2.gz ZVJLUFMROUZHJP-QGZVFWFLSA-N 1 2 338.448 3.924 20 0 EHADLO Cc1c2cc(F)ccc2oc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454395013 1028877302 /nfs/dbraw/zinc/87/73/02/1028877302.db2.gz ZWSRURVTFDLCKR-UHFFFAOYSA-N 1 2 341.386 3.892 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000421875717 1028877510 /nfs/dbraw/zinc/87/75/10/1028877510.db2.gz HIZOGOOGPDCANY-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(CC(C)C)cc2)s1 ZINC000424203747 1028888926 /nfs/dbraw/zinc/88/89/26/1028888926.db2.gz RPHQQCLXANZLCH-CYBMUJFWSA-N 1 2 332.469 3.979 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000198276413 1028912182 /nfs/dbraw/zinc/91/21/82/1028912182.db2.gz YXKUVALXIQQQCF-NEPJUHHUSA-N 1 2 347.871 3.527 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000198276413 1028912196 /nfs/dbraw/zinc/91/21/96/1028912196.db2.gz YXKUVALXIQQQCF-NEPJUHHUSA-N 1 2 347.871 3.527 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421946815 1028953716 /nfs/dbraw/zinc/95/37/16/1028953716.db2.gz TUMQJZJBOCVWKN-CYBMUJFWSA-N 1 2 337.345 3.677 20 0 EHADLO CC(C)([NH2+]Cc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154026320 1028981501 /nfs/dbraw/zinc/98/15/01/1028981501.db2.gz OKECXKZWYMSARH-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)o1 ZINC000532903815 1029019275 /nfs/dbraw/zinc/01/92/75/1029019275.db2.gz PQMUQNJWMBNOPS-IBGZPJMESA-N 1 2 328.456 3.576 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)o1 ZINC000532903815 1029019295 /nfs/dbraw/zinc/01/92/95/1029019295.db2.gz PQMUQNJWMBNOPS-IBGZPJMESA-N 1 2 328.456 3.576 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532914551 1029035361 /nfs/dbraw/zinc/03/53/61/1029035361.db2.gz XLEHGJLGSXKCAQ-UHFFFAOYSA-N 1 2 348.425 3.605 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000422051578 1029036150 /nfs/dbraw/zinc/03/61/50/1029036150.db2.gz YSVRDTXAHSNUKU-UHFFFAOYSA-N 1 2 342.464 3.971 20 0 EHADLO COc1ccccc1C(C)(C)c1noc(C[NH+]2CCC(C)CC2)n1 ZINC000445682734 1029040175 /nfs/dbraw/zinc/04/01/75/1029040175.db2.gz IWYYREGNSCHFRR-UHFFFAOYSA-N 1 2 329.444 3.636 20 0 EHADLO S=c1ncccn1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000179185854 1029089426 /nfs/dbraw/zinc/08/94/26/1029089426.db2.gz IFFHOYAQJHSYDF-UHFFFAOYSA-N 1 2 335.860 3.767 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cnnn1-c1ccccc1 ZINC000924970580 1029092136 /nfs/dbraw/zinc/09/21/36/1029092136.db2.gz RJVINNNKDYHDGT-ZDUSSCGKSA-N 1 2 341.484 3.872 20 0 EHADLO CC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000454609516 1029121500 /nfs/dbraw/zinc/12/15/00/1029121500.db2.gz VMDNSFMKXJQTRQ-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000271727353 1029140347 /nfs/dbraw/zinc/14/03/47/1029140347.db2.gz XVDRSFDUPIHHGY-ZIAGYGMSSA-N 1 2 333.432 3.663 20 0 EHADLO CSc1ccc(C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271785758 1029169479 /nfs/dbraw/zinc/16/94/79/1029169479.db2.gz CEHWMPFHTSMSFV-ZDUSSCGKSA-N 1 2 330.457 3.852 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000252243771 1029179391 /nfs/dbraw/zinc/17/93/91/1029179391.db2.gz KYQLKQBXLKIPOJ-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000252243771 1029179400 /nfs/dbraw/zinc/17/94/00/1029179400.db2.gz KYQLKQBXLKIPOJ-LLVKDONJSA-N 1 2 330.338 3.603 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c[nH]c21 ZINC000078076159 1029195356 /nfs/dbraw/zinc/19/53/56/1029195356.db2.gz NSVMIGKVPKUADW-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO CSCC[C@@H](CO)Nc1cc[nH+]c2c(Br)cccc12 ZINC000154584844 1029228131 /nfs/dbraw/zinc/22/81/31/1029228131.db2.gz HCMCYJSEIHNBGD-JTQLQIEISA-N 1 2 341.274 3.523 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC2(CCC2)O1 ZINC000583202890 1029240730 /nfs/dbraw/zinc/24/07/30/1029240730.db2.gz WFOGXPXNYHFMAJ-NSHDSACASA-N 1 2 340.345 3.990 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC2(CCC2)O1 ZINC000583202890 1029240739 /nfs/dbraw/zinc/24/07/39/1029240739.db2.gz WFOGXPXNYHFMAJ-NSHDSACASA-N 1 2 340.345 3.990 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000424719826 1029271233 /nfs/dbraw/zinc/27/12/33/1029271233.db2.gz JHDLZFYAHROZPF-NSHGMRRFSA-N 1 2 339.483 3.870 20 0 EHADLO CC(C)n1cncc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000424722998 1029273107 /nfs/dbraw/zinc/27/31/07/1029273107.db2.gz OJNMGZMFWULQHD-UHFFFAOYSA-N 1 2 346.328 3.750 20 0 EHADLO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H](CO)c1ccccc1 ZINC000343114269 1029279023 /nfs/dbraw/zinc/27/90/23/1029279023.db2.gz ZOBDEAHXVNLIPC-GOSISDBHSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H](CO)c1ccccc1 ZINC000343114269 1029279037 /nfs/dbraw/zinc/27/90/37/1029279037.db2.gz ZOBDEAHXVNLIPC-GOSISDBHSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1sccc1Br)[C@H](CO)c1ccccc1 ZINC000343124151 1029327241 /nfs/dbraw/zinc/32/72/41/1029327241.db2.gz YOGGQZDISCOGDF-CYBMUJFWSA-N 1 2 326.259 3.676 20 0 EHADLO C[N@H+](Cc1sccc1Br)[C@H](CO)c1ccccc1 ZINC000343124151 1029327225 /nfs/dbraw/zinc/32/72/25/1029327225.db2.gz YOGGQZDISCOGDF-CYBMUJFWSA-N 1 2 326.259 3.676 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(Cl)c1 ZINC000505181652 1029331098 /nfs/dbraw/zinc/33/10/98/1029331098.db2.gz HWSJYROLGXHGSN-CKEIUWERSA-N 1 2 343.858 3.685 20 0 EHADLO C[C@@H]1C[C@H](C)N(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000524621845 1029355905 /nfs/dbraw/zinc/35/59/05/1029355905.db2.gz QIFNOSJJLSVOTF-QZWWFDLISA-N 1 2 345.487 3.558 20 0 EHADLO CSCc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454836524 1029367161 /nfs/dbraw/zinc/36/71/61/1029367161.db2.gz ZOLVBGZBZVVJQK-UHFFFAOYSA-N 1 2 329.469 3.561 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H](C)OC(C)(C)C1 ZINC000524638626 1029374276 /nfs/dbraw/zinc/37/42/76/1029374276.db2.gz SRRGFQZWSAWHGF-AWEZNQCLSA-N 1 2 342.439 3.724 20 0 EHADLO [NH3+][C@H](c1nc(-c2cccc(F)c2)no1)c1ccccc1Br ZINC001212088983 1029391099 /nfs/dbraw/zinc/39/10/99/1029391099.db2.gz PVKWLKOBHLIRFM-ZDUSSCGKSA-N 1 2 348.175 3.686 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272337776 1029424892 /nfs/dbraw/zinc/42/48/92/1029424892.db2.gz OAELNMPPYIEDSG-SFHVURJKSA-N 1 2 348.450 3.751 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454878754 1029426806 /nfs/dbraw/zinc/42/68/06/1029426806.db2.gz XDFCZHPJDFIDTB-UKRRQHHQSA-N 1 2 343.858 3.851 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000150857532 1029447809 /nfs/dbraw/zinc/44/78/09/1029447809.db2.gz NKGDQJSTNSURFA-MRXNPFEDSA-N 1 2 346.434 3.823 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000150857532 1029447818 /nfs/dbraw/zinc/44/78/18/1029447818.db2.gz NKGDQJSTNSURFA-MRXNPFEDSA-N 1 2 346.434 3.823 20 0 EHADLO CSCc1cccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000446158741 1029458688 /nfs/dbraw/zinc/45/86/88/1029458688.db2.gz WNZBHYPQVTWNQD-UHFFFAOYSA-N 1 2 340.452 3.827 20 0 EHADLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4ccccc4)CC3)sc2C1 ZINC000505321235 1029465500 /nfs/dbraw/zinc/46/55/00/1029465500.db2.gz RYTUFDYFHBTSHJ-OAHLLOKOSA-N 1 2 327.497 3.590 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524756370 1029487634 /nfs/dbraw/zinc/48/76/34/1029487634.db2.gz ZLDWFRUEBNNMKJ-OUAUKWLOSA-N 1 2 330.856 3.632 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524756370 1029487649 /nfs/dbraw/zinc/48/76/49/1029487649.db2.gz ZLDWFRUEBNNMKJ-OUAUKWLOSA-N 1 2 330.856 3.632 20 0 EHADLO CCc1nc(N2CCOc3ccc(Br)cc3C2)cc(C)[nH+]1 ZINC000343151716 1029493177 /nfs/dbraw/zinc/49/31/77/1029493177.db2.gz CYWRGMJEVCDWDL-UHFFFAOYSA-N 1 2 348.244 3.509 20 0 EHADLO Cc1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272598761 1029528153 /nfs/dbraw/zinc/52/81/53/1029528153.db2.gz GVQNHEYULULDPX-SFHVURJKSA-N 1 2 335.407 3.619 20 0 EHADLO Cc1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272598761 1029528181 /nfs/dbraw/zinc/52/81/81/1029528181.db2.gz GVQNHEYULULDPX-SFHVURJKSA-N 1 2 335.407 3.619 20 0 EHADLO CC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCCC1 ZINC000272612098 1029534219 /nfs/dbraw/zinc/53/42/19/1029534219.db2.gz HTAWEPCESOQMGI-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CCOc1cc(C[N@H+](CC(=O)OC)[C@H](C)CC)cc(Cl)c1OC ZINC000467510323 1029536955 /nfs/dbraw/zinc/53/69/55/1029536955.db2.gz GUVVHQFQFYMXDB-GFCCVEGCSA-N 1 2 343.851 3.521 20 0 EHADLO CCOc1cc(C[N@@H+](CC(=O)OC)[C@H](C)CC)cc(Cl)c1OC ZINC000467510323 1029536966 /nfs/dbraw/zinc/53/69/66/1029536966.db2.gz GUVVHQFQFYMXDB-GFCCVEGCSA-N 1 2 343.851 3.521 20 0 EHADLO Nc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)s1 ZINC000261968587 1029542003 /nfs/dbraw/zinc/54/20/03/1029542003.db2.gz HZGXHLXXCAORIH-VIFPVBQESA-N 1 2 344.303 3.886 20 0 EHADLO Nc1ncc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)s1 ZINC000261968587 1029542008 /nfs/dbraw/zinc/54/20/08/1029542008.db2.gz HZGXHLXXCAORIH-VIFPVBQESA-N 1 2 344.303 3.886 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000648563697 1029581837 /nfs/dbraw/zinc/58/18/37/1029581837.db2.gz PPCVLYBFWOZYMR-UHFFFAOYSA-N 1 2 347.724 3.854 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CCO1 ZINC000246071783 1029629629 /nfs/dbraw/zinc/62/96/29/1029629629.db2.gz FHEJJGSPQGAZRH-UTRMSSBJSA-N 1 2 330.472 3.527 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125987411 1029646169 /nfs/dbraw/zinc/64/61/69/1029646169.db2.gz LOYOJPIUGGJRRI-WMLDXEAASA-N 1 2 345.874 3.924 20 0 EHADLO CN(C)c1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)[nH+]c1 ZINC000150906559 1029646214 /nfs/dbraw/zinc/64/62/14/1029646214.db2.gz OYDDRYDWGTUSGG-UHFFFAOYSA-N 1 2 349.360 3.665 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1 ZINC000446527953 1029673917 /nfs/dbraw/zinc/67/39/17/1029673917.db2.gz DTAAGUIHNALGBG-QFIPXVFZSA-N 1 2 345.446 3.985 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126237653 1029686979 /nfs/dbraw/zinc/68/69/79/1029686979.db2.gz OIKLXHQPUXXQFX-NXHOZURCSA-N 1 2 327.403 3.535 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1ccccc1 ZINC000728562837 1029693239 /nfs/dbraw/zinc/69/32/39/1029693239.db2.gz OPXBXPCQISRHPQ-MRXNPFEDSA-N 1 2 328.485 3.933 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1ccccc1 ZINC000728562837 1029693244 /nfs/dbraw/zinc/69/32/44/1029693244.db2.gz OPXBXPCQISRHPQ-MRXNPFEDSA-N 1 2 328.485 3.933 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126299259 1029697734 /nfs/dbraw/zinc/69/77/34/1029697734.db2.gz CKJSCKYVOGSABL-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO C[C@H](NC(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000428612511 1029759072 /nfs/dbraw/zinc/75/90/72/1029759072.db2.gz RNNPFRXYUCETLF-HLLBOEOZSA-N 1 2 326.444 3.763 20 0 EHADLO CC(C)c1cccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000446696498 1029761272 /nfs/dbraw/zinc/76/12/72/1029761272.db2.gz JGPLIKICRJBLQI-UHFFFAOYSA-N 1 2 348.406 3.573 20 0 EHADLO C[N@H+](Cc1nc(CC(F)(F)F)no1)[C@@H]1CCCc2ccccc21 ZINC000525270996 1029765823 /nfs/dbraw/zinc/76/58/23/1029765823.db2.gz XIYPMNWVPWVAIZ-CYBMUJFWSA-N 1 2 325.334 3.684 20 0 EHADLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@@H]1CCCc2ccccc21 ZINC000525270996 1029765827 /nfs/dbraw/zinc/76/58/27/1029765827.db2.gz XIYPMNWVPWVAIZ-CYBMUJFWSA-N 1 2 325.334 3.684 20 0 EHADLO Fc1ccccc1SCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000536012204 1029781299 /nfs/dbraw/zinc/78/12/99/1029781299.db2.gz DIOYUBYRHKZKOO-UHFFFAOYSA-N 1 2 336.501 3.797 20 0 EHADLO Fc1ccccc1SCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000536012204 1029781302 /nfs/dbraw/zinc/78/13/02/1029781302.db2.gz DIOYUBYRHKZKOO-UHFFFAOYSA-N 1 2 336.501 3.797 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455637102 1029790222 /nfs/dbraw/zinc/79/02/22/1029790222.db2.gz ZOVAKKJEOMWSEV-MRXNPFEDSA-N 1 2 334.508 3.910 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446785306 1029799738 /nfs/dbraw/zinc/79/97/38/1029799738.db2.gz PCOLFZWQMWDXEG-IUODEOHRSA-N 1 2 335.448 3.688 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446785306 1029799746 /nfs/dbraw/zinc/79/97/46/1029799746.db2.gz PCOLFZWQMWDXEG-IUODEOHRSA-N 1 2 335.448 3.688 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536017691 1029800576 /nfs/dbraw/zinc/80/05/76/1029800576.db2.gz MSXHWVUWRSMUHQ-HNNXBMFYSA-N 1 2 337.533 3.790 20 0 EHADLO CC(C)C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000525371223 1029806960 /nfs/dbraw/zinc/80/69/60/1029806960.db2.gz LLUSUQAMFSNMOL-IBGZPJMESA-N 1 2 339.483 3.708 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C ZINC000114804191 1029827913 /nfs/dbraw/zinc/82/79/13/1029827913.db2.gz BQCUZSIIOODJNK-QGZVFWFLSA-N 1 2 338.455 3.609 20 0 EHADLO COc1cccc(Oc2ccc(C[NH2+]Cc3nc(C)c(C)[nH]3)cn2)c1 ZINC000583451991 1029843080 /nfs/dbraw/zinc/84/30/80/1029843080.db2.gz PDHQIZDPWHMKIF-UHFFFAOYSA-N 1 2 338.411 3.512 20 0 EHADLO COc1ccc(-n2ccnc2SCc2cc(OC)cc(C)[nH+]2)cc1 ZINC000533807266 1029856168 /nfs/dbraw/zinc/85/61/68/1029856168.db2.gz VAEMDBLQJMTCFT-UHFFFAOYSA-N 1 2 341.436 3.885 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815445 1029861897 /nfs/dbraw/zinc/86/18/97/1029861897.db2.gz FAHHQNJANNNBGX-UPHRSURJSA-N 1 2 344.455 3.635 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000446955025 1029863344 /nfs/dbraw/zinc/86/33/44/1029863344.db2.gz WHPBWJPYLOZIHY-KGLIPLIRSA-N 1 2 336.505 3.639 20 0 EHADLO CC[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000446955025 1029863350 /nfs/dbraw/zinc/86/33/50/1029863350.db2.gz WHPBWJPYLOZIHY-KGLIPLIRSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1O ZINC000428462319 1029874001 /nfs/dbraw/zinc/87/40/01/1029874001.db2.gz KNVNMKBGVYSPRI-ZANVPECISA-N 1 2 341.295 3.927 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1O ZINC000428462319 1029874008 /nfs/dbraw/zinc/87/40/08/1029874008.db2.gz KNVNMKBGVYSPRI-ZANVPECISA-N 1 2 341.295 3.927 20 0 EHADLO Cc1cc(CNc2ccc(-n3cncn3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000892337882 1029874729 /nfs/dbraw/zinc/87/47/29/1029874729.db2.gz FWLSUDRBAPEAMR-UHFFFAOYSA-N 1 2 337.402 3.601 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142105807 1029882977 /nfs/dbraw/zinc/88/29/77/1029882977.db2.gz ODUJLUDWHWEXFD-LLVKDONJSA-N 1 2 346.254 3.864 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142105807 1029882983 /nfs/dbraw/zinc/88/29/83/1029882983.db2.gz ODUJLUDWHWEXFD-LLVKDONJSA-N 1 2 346.254 3.864 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnc2ccccc21 ZINC000080442116 1029886466 /nfs/dbraw/zinc/88/64/66/1029886466.db2.gz BIUJXQFZCQZWQU-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+](C)[C@@H](C)c3ccccc3)n2)cc1 ZINC000536047915 1029897605 /nfs/dbraw/zinc/89/76/05/1029897605.db2.gz NGHJHYVPTBYAPR-HNNXBMFYSA-N 1 2 348.454 3.529 20 0 EHADLO Cc1ccc(Nc2nc(N)nc(C[N@H+](C)[C@@H](C)c3ccccc3)n2)cc1 ZINC000536047915 1029897621 /nfs/dbraw/zinc/89/76/21/1029897621.db2.gz NGHJHYVPTBYAPR-HNNXBMFYSA-N 1 2 348.454 3.529 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC(C)(C)CC3)cn2c1 ZINC000525604082 1029932987 /nfs/dbraw/zinc/93/29/87/1029932987.db2.gz WHIOCKWXUBFIDR-UHFFFAOYSA-N 1 2 345.512 3.915 20 0 EHADLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C1CCCCC1 ZINC000481792927 1029970414 /nfs/dbraw/zinc/97/04/14/1029970414.db2.gz YOYOOXXOSMBQPY-SJORKVTESA-N 1 2 344.503 3.518 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)o1 ZINC000525695700 1030029042 /nfs/dbraw/zinc/02/90/42/1030029042.db2.gz IYZQLFAMQNEAGV-CXAGYDPISA-N 1 2 345.439 3.651 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(C2(COC)CCCC2)no1)c1ccccc1 ZINC000453289235 1030034275 /nfs/dbraw/zinc/03/42/75/1030034275.db2.gz KFSZFJFCXCRKKT-INIZCTEOSA-N 1 2 329.444 3.569 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(C2(COC)CCCC2)no1)c1ccccc1 ZINC000453289235 1030034293 /nfs/dbraw/zinc/03/42/93/1030034293.db2.gz KFSZFJFCXCRKKT-INIZCTEOSA-N 1 2 329.444 3.569 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@H](C)S[C@@H](C)C1 ZINC000525704935 1030043415 /nfs/dbraw/zinc/04/34/15/1030043415.db2.gz XLWDSOWTHRXQTO-STQMWFEESA-N 1 2 330.453 3.742 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1Cl ZINC000127978607 1030045968 /nfs/dbraw/zinc/04/59/68/1030045968.db2.gz DAUJWVXISAIADC-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1Cl ZINC000127978607 1030045983 /nfs/dbraw/zinc/04/59/83/1030045983.db2.gz DAUJWVXISAIADC-KGLIPLIRSA-N 1 2 331.847 3.605 20 0 EHADLO CCCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000171374365 1030051444 /nfs/dbraw/zinc/05/14/44/1030051444.db2.gz PJCZBLVKDFSXIQ-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO CCCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000171374365 1030051455 /nfs/dbraw/zinc/05/14/55/1030051455.db2.gz PJCZBLVKDFSXIQ-IYBDPMFKSA-N 1 2 345.487 3.702 20 0 EHADLO O=C(c1cccc(-c2cscn2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000525713709 1030051978 /nfs/dbraw/zinc/05/19/78/1030051978.db2.gz UDRANQDSXDAZIF-OAHLLOKOSA-N 1 2 338.436 3.553 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cncc(C)c2)sc1Br ZINC000453274991 1030058425 /nfs/dbraw/zinc/05/84/25/1030058425.db2.gz YCDJFPMTJWKTNY-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ncc(C(F)(F)F)cn2)C1 ZINC000453303664 1030069900 /nfs/dbraw/zinc/06/99/00/1030069900.db2.gz NNGPCFZGAVHBTN-GFCCVEGCSA-N 1 2 325.334 3.892 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cnccc2C)nnn1-c1ccc(Cl)cc1 ZINC000453318383 1030095869 /nfs/dbraw/zinc/09/58/69/1030095869.db2.gz BLALBTNXNDLBFA-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120721088 1030099598 /nfs/dbraw/zinc/09/95/98/1030099598.db2.gz SYRKQOWHEGGDDP-MOPGFXCFSA-N 1 2 330.472 3.914 20 0 EHADLO CCc1sc(-c2nnc(C[NH+]3C[C@@H](C)S[C@H](C)C3)o2)cc1C ZINC000525786278 1030124747 /nfs/dbraw/zinc/12/47/47/1030124747.db2.gz IOHGYVJVXVTRQG-VXGBXAGGSA-N 1 2 337.514 3.995 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000525833227 1030157012 /nfs/dbraw/zinc/15/70/12/1030157012.db2.gz MTYYIUCZBYVVGV-SFHVURJKSA-N 1 2 334.847 3.521 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCOc1ccc(Cl)cc1 ZINC000525833227 1030157018 /nfs/dbraw/zinc/15/70/18/1030157018.db2.gz MTYYIUCZBYVVGV-SFHVURJKSA-N 1 2 334.847 3.521 20 0 EHADLO C[C@H]1CN(c2ccc(NC3CCC(F)(F)CC3)c[nH+]2)C[C@H](C)O1 ZINC000647298931 1030157654 /nfs/dbraw/zinc/15/76/54/1030157654.db2.gz BUOMYXNHXXLPGW-STQMWFEESA-N 1 2 325.403 3.685 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cs1 ZINC000453362163 1030176178 /nfs/dbraw/zinc/17/61/78/1030176178.db2.gz UOKHZXRHPTVBOG-CABCVRRESA-N 1 2 345.512 3.665 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000531969096 1030176348 /nfs/dbraw/zinc/17/63/48/1030176348.db2.gz UCLMJRMEPJSOSC-MRVPVSSYSA-N 1 2 343.294 3.911 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000453365653 1030177529 /nfs/dbraw/zinc/17/75/29/1030177529.db2.gz SPEDESLSIMAGGZ-COPLHBTASA-N 1 2 335.835 3.910 20 0 EHADLO CC(C)(C)c1nnc(SCc2c[nH+]cn2Cc2ccccc2)o1 ZINC000525832600 1030178307 /nfs/dbraw/zinc/17/83/07/1030178307.db2.gz MGIQZOAJMLLUAJ-UHFFFAOYSA-N 1 2 328.441 3.904 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccnn2C(C)C)ccc1OC(F)F ZINC000525976944 1030263708 /nfs/dbraw/zinc/26/37/08/1030263708.db2.gz MCYPKWZIDIBNJJ-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccnn2C(C)C)ccc1OC(F)F ZINC000525976944 1030263721 /nfs/dbraw/zinc/26/37/21/1030263721.db2.gz MCYPKWZIDIBNJJ-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OCCO)c1 ZINC000447568042 1030285723 /nfs/dbraw/zinc/28/57/23/1030285723.db2.gz GYIOXEGZVHIAEK-INIZCTEOSA-N 1 2 337.423 3.725 20 0 EHADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000138872872 1030286344 /nfs/dbraw/zinc/28/63/44/1030286344.db2.gz ACBLQDUMMLVWED-CQSZACIVSA-N 1 2 327.409 3.841 20 0 EHADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000138872872 1030286355 /nfs/dbraw/zinc/28/63/55/1030286355.db2.gz ACBLQDUMMLVWED-CQSZACIVSA-N 1 2 327.409 3.841 20 0 EHADLO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc2ccccc2o1 ZINC000472296715 1030308471 /nfs/dbraw/zinc/30/84/71/1030308471.db2.gz QQCMARJIDJKCGT-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc2ccccc2o1 ZINC000472296715 1030308485 /nfs/dbraw/zinc/30/84/85/1030308485.db2.gz QQCMARJIDJKCGT-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000091791968 1030308574 /nfs/dbraw/zinc/30/85/74/1030308574.db2.gz KDRDMOBBRVLQCQ-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3nnc(C)n3C3CC3)CC2)cc1 ZINC000091810762 1030311070 /nfs/dbraw/zinc/31/10/70/1030311070.db2.gz FZYWFKBSMXMYJU-UHFFFAOYSA-N 1 2 338.455 3.609 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3nnc(C)n3C3CC3)CC2)cc1 ZINC000091810762 1030311091 /nfs/dbraw/zinc/31/10/91/1030311091.db2.gz FZYWFKBSMXMYJU-UHFFFAOYSA-N 1 2 338.455 3.609 20 0 EHADLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000091815035 1030312518 /nfs/dbraw/zinc/31/25/18/1030312518.db2.gz IGXUXPUCJKCBTK-HNNXBMFYSA-N 1 2 345.414 3.634 20 0 EHADLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000091815035 1030312535 /nfs/dbraw/zinc/31/25/35/1030312535.db2.gz IGXUXPUCJKCBTK-HNNXBMFYSA-N 1 2 345.414 3.634 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000526004180 1030345635 /nfs/dbraw/zinc/34/56/35/1030345635.db2.gz RGEJBOZEUFYGKD-UHFFFAOYSA-N 1 2 327.428 3.703 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1cnc(C(C)C)s1)C2 ZINC000453593285 1030382803 /nfs/dbraw/zinc/38/28/03/1030382803.db2.gz BYZCAQHTOSMPQW-UHFFFAOYSA-N 1 2 330.453 3.611 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cnc(C(C)C)s1)C2 ZINC000453593285 1030382818 /nfs/dbraw/zinc/38/28/18/1030382818.db2.gz BYZCAQHTOSMPQW-UHFFFAOYSA-N 1 2 330.453 3.611 20 0 EHADLO COc1ccc(C(=O)N(C)C)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090012 1030396980 /nfs/dbraw/zinc/39/69/80/1030396980.db2.gz POHHKEAVSBKQNP-UHFFFAOYSA-N 1 2 336.395 3.531 20 0 EHADLO CCC[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343347879 1030425962 /nfs/dbraw/zinc/42/59/62/1030425962.db2.gz VWXXWILTRCAUIW-SFHVURJKSA-N 1 2 334.423 3.849 20 0 EHADLO COC(=O)Cc1c(F)ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC001213090151 1030439144 /nfs/dbraw/zinc/43/91/44/1030439144.db2.gz WSKYLLVQBFLGCS-UHFFFAOYSA-N 1 2 343.333 3.814 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567968134 1030438913 /nfs/dbraw/zinc/43/89/13/1030438913.db2.gz ZSQQTYYWGZVHNX-CXAGYDPISA-N 1 2 347.821 3.506 20 0 EHADLO Fc1ccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000340788524 1030449904 /nfs/dbraw/zinc/44/99/04/1030449904.db2.gz WAKXEYXOJIIYGP-UHFFFAOYSA-N 1 2 339.418 3.662 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2scnc2C(C)C)c1C ZINC000448820208 1030459222 /nfs/dbraw/zinc/45/92/22/1030459222.db2.gz AWGFDJIBYOQFPH-UHFFFAOYSA-N 1 2 333.457 3.559 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482127 1030465321 /nfs/dbraw/zinc/46/53/21/1030465321.db2.gz HCODUPHPQWMXMR-SWLSCSKDSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482482127 1030465325 /nfs/dbraw/zinc/46/53/25/1030465325.db2.gz HCODUPHPQWMXMR-SWLSCSKDSA-N 1 2 329.893 3.754 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C)c(-c4ncco4)c3)[nH+]c12 ZINC000532223969 1030490719 /nfs/dbraw/zinc/49/07/19/1030490719.db2.gz AMZKZRJQTKVVOD-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccc(C)c(Cl)c3)CC2)cs1 ZINC000447793211 1030492656 /nfs/dbraw/zinc/49/26/56/1030492656.db2.gz ATIBIJPKRPSNHH-UHFFFAOYSA-N 1 2 335.904 3.731 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nn(C3CCCCC3)cc2C)c[nH+]1 ZINC000897371093 1030501991 /nfs/dbraw/zinc/50/19/91/1030501991.db2.gz NLMIPIJLMGUDKB-UHFFFAOYSA-N 1 2 329.448 3.575 20 0 EHADLO Fc1cncc(Br)c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000668067272 1030510951 /nfs/dbraw/zinc/51/09/51/1030510951.db2.gz IHXBWEMHXRUZIS-MRVPVSSYSA-N 1 2 341.146 3.758 20 0 EHADLO Fc1cncc(Br)c1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000668067272 1030510966 /nfs/dbraw/zinc/51/09/66/1030510966.db2.gz IHXBWEMHXRUZIS-MRVPVSSYSA-N 1 2 341.146 3.758 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](CC)CCc2nccs2)cs1 ZINC000159263859 1030512258 /nfs/dbraw/zinc/51/22/58/1030512258.db2.gz RYXLSOBEZPMSMG-GFCCVEGCSA-N 1 2 325.503 3.762 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](CC)CCc2nccs2)cs1 ZINC000159263859 1030512267 /nfs/dbraw/zinc/51/22/67/1030512267.db2.gz RYXLSOBEZPMSMG-GFCCVEGCSA-N 1 2 325.503 3.762 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000278384723 1030519645 /nfs/dbraw/zinc/51/96/45/1030519645.db2.gz URIJELUJDYCPOP-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO Cc1c(Cl)cccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343370730 1030536453 /nfs/dbraw/zinc/53/64/53/1030536453.db2.gz SUIBJBGOOYDAHM-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc(C)[nH+]1 ZINC000668072542 1030538140 /nfs/dbraw/zinc/53/81/40/1030538140.db2.gz HZYQSAVUSZVGNX-MRXNPFEDSA-N 1 2 347.365 3.807 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCc3c1cccc3F)C2 ZINC000526989860 1030549624 /nfs/dbraw/zinc/54/96/24/1030549624.db2.gz BUBQSUWRRZACHH-MLGOLLRUSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCc3c1cccc3F)CC2 ZINC000526989860 1030549635 /nfs/dbraw/zinc/54/96/35/1030549635.db2.gz BUBQSUWRRZACHH-MLGOLLRUSA-N 1 2 341.430 3.581 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3ccncc3s2)c1C ZINC000448821848 1030552220 /nfs/dbraw/zinc/55/22/20/1030552220.db2.gz HXECHTLHBDEARR-UHFFFAOYSA-N 1 2 341.436 3.589 20 0 EHADLO CC/C(=C/C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(OC)cc1 ZINC000129856146 1030570482 /nfs/dbraw/zinc/57/04/82/1030570482.db2.gz NQVPDRNZUUFADQ-PEZBUJJGSA-N 1 2 339.439 3.549 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000093226677 1030572758 /nfs/dbraw/zinc/57/27/58/1030572758.db2.gz CHFQWBRIPVVTGT-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000093226677 1030572774 /nfs/dbraw/zinc/57/27/74/1030572774.db2.gz CHFQWBRIPVVTGT-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000532348742 1030574869 /nfs/dbraw/zinc/57/48/69/1030574869.db2.gz NTRPJJACQQKOMD-BDXSIMOUSA-N 1 2 332.492 3.835 20 0 EHADLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332983180 1030602769 /nfs/dbraw/zinc/60/27/69/1030602769.db2.gz WKABICPDUUZYBC-KBPBESRZSA-N 1 2 340.418 3.514 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000193695413 1030603220 /nfs/dbraw/zinc/60/32/20/1030603220.db2.gz PXTKYNITNDDKSO-HNNXBMFYSA-N 1 2 330.863 3.516 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)[nH+]c12 ZINC000527092695 1030639022 /nfs/dbraw/zinc/63/90/22/1030639022.db2.gz RXXZOMONWZIIFD-RBUKOAKNSA-N 1 2 347.462 3.713 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@H]1CCCCO1 ZINC000482694779 1030642987 /nfs/dbraw/zinc/64/29/87/1030642987.db2.gz DXLOXPGIODKANM-CHWSQXEVSA-N 1 2 335.448 3.906 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000482694779 1030642995 /nfs/dbraw/zinc/64/29/95/1030642995.db2.gz DXLOXPGIODKANM-CHWSQXEVSA-N 1 2 335.448 3.906 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](c2nccn2CC)C2CCOCC2)n1 ZINC000343390388 1030655465 /nfs/dbraw/zinc/65/54/65/1030655465.db2.gz CSMKFBQOYGBILI-QGZVFWFLSA-N 1 2 348.516 3.570 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000653485337 1030655876 /nfs/dbraw/zinc/65/58/76/1030655876.db2.gz IFYUCJWBWZORRE-UHFFFAOYSA-N 1 2 339.483 3.531 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3c(C4CC4)cnn3C)C2)c1 ZINC000668108009 1030659972 /nfs/dbraw/zinc/65/99/72/1030659972.db2.gz PQOQTDFUJQUQHO-IBGZPJMESA-N 1 2 331.410 3.816 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3c(C4CC4)cnn3C)C2)c1 ZINC000668108009 1030659978 /nfs/dbraw/zinc/65/99/78/1030659978.db2.gz PQOQTDFUJQUQHO-IBGZPJMESA-N 1 2 331.410 3.816 20 0 EHADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093793241 1030678567 /nfs/dbraw/zinc/67/85/67/1030678567.db2.gz CKFPKENVEWPYGL-RBUKOAKNSA-N 1 2 341.455 3.695 20 0 EHADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093793241 1030678574 /nfs/dbraw/zinc/67/85/74/1030678574.db2.gz CKFPKENVEWPYGL-RBUKOAKNSA-N 1 2 341.455 3.695 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810179 1030680922 /nfs/dbraw/zinc/68/09/22/1030680922.db2.gz BMKZPGKBFPCCLH-SFHVURJKSA-N 1 2 328.460 3.577 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810179 1030680932 /nfs/dbraw/zinc/68/09/32/1030680932.db2.gz BMKZPGKBFPCCLH-SFHVURJKSA-N 1 2 328.460 3.577 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000583781485 1030729848 /nfs/dbraw/zinc/72/98/48/1030729848.db2.gz LRQRDWRIPZBEKJ-OAHLLOKOSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000583781485 1030729868 /nfs/dbraw/zinc/72/98/68/1030729868.db2.gz LRQRDWRIPZBEKJ-OAHLLOKOSA-N 1 2 342.870 3.711 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C2 ZINC000527248397 1030735822 /nfs/dbraw/zinc/73/58/22/1030735822.db2.gz GAYSZHOUHHUBQJ-HLLBOEOZSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)CC2 ZINC000527248397 1030735843 /nfs/dbraw/zinc/73/58/43/1030735843.db2.gz GAYSZHOUHHUBQJ-HLLBOEOZSA-N 1 2 329.488 3.723 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000476645580 1030766461 /nfs/dbraw/zinc/76/64/61/1030766461.db2.gz PFICUAKCLXCBST-XTQGRXLLSA-N 1 2 347.409 3.660 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CCC[C@H]2CCO)C(F)F)c1 ZINC000550898843 1030780213 /nfs/dbraw/zinc/78/02/13/1030780213.db2.gz LQLMRBZSKRUHHM-JQFCIGGWSA-N 1 2 327.415 3.921 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1nc(-c2cccs2)no1 ZINC000527324448 1030796391 /nfs/dbraw/zinc/79/63/91/1030796391.db2.gz FKZPGUNXMKLJBN-XHDPSFHLSA-N 1 2 326.425 3.995 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000157781806 1030840983 /nfs/dbraw/zinc/84/09/83/1030840983.db2.gz LZRKLWGYFLMGSZ-INIZCTEOSA-N 1 2 325.456 3.803 20 0 EHADLO CCN(CCc1cccs1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635246234 1030860875 /nfs/dbraw/zinc/86/08/75/1030860875.db2.gz OHBPTHHSAWNIHK-ZDUSSCGKSA-N 1 2 345.390 3.529 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1nnnn1-c1ccccc1 ZINC000115631884 1030895077 /nfs/dbraw/zinc/89/50/77/1030895077.db2.gz GOGITQXAKKFPKR-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO Brc1ccc2[nH]c(NC3(c4ccccn4)CC3)[nH+]c2c1 ZINC001168149371 1030928768 /nfs/dbraw/zinc/92/87/68/1030928768.db2.gz QBRLUFLFNOIAPX-UHFFFAOYSA-N 1 2 329.201 3.822 20 0 EHADLO Brc1ccc2[nH+]c(NC3(c4ccccn4)CC3)[nH]c2c1 ZINC001168149371 1030928780 /nfs/dbraw/zinc/92/87/80/1030928780.db2.gz QBRLUFLFNOIAPX-UHFFFAOYSA-N 1 2 329.201 3.822 20 0 EHADLO O[C@@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C(F)(F)F ZINC000157895170 1030931242 /nfs/dbraw/zinc/93/12/42/1030931242.db2.gz XOKQURXTVYKWSZ-HNNXBMFYSA-N 1 2 335.329 3.572 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)CC2(F)CC2)cc1 ZINC000527509625 1030941969 /nfs/dbraw/zinc/94/19/69/1030941969.db2.gz KICJAYREDVAIQZ-UHFFFAOYSA-N 1 2 342.414 3.676 20 0 EHADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)CC2(F)CC2)cc1 ZINC000527509625 1030941990 /nfs/dbraw/zinc/94/19/90/1030941990.db2.gz KICJAYREDVAIQZ-UHFFFAOYSA-N 1 2 342.414 3.676 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000527490410 1030945024 /nfs/dbraw/zinc/94/50/24/1030945024.db2.gz SUAXPTKTEVPVKD-AWEZNQCLSA-N 1 2 341.455 3.558 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000527490410 1030945035 /nfs/dbraw/zinc/94/50/35/1030945035.db2.gz SUAXPTKTEVPVKD-AWEZNQCLSA-N 1 2 341.455 3.558 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc2ccccc2s1 ZINC000343457110 1030969167 /nfs/dbraw/zinc/96/91/67/1030969167.db2.gz HJHZMMMJOCEADA-GXTWGEPZSA-N 1 2 325.437 3.538 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483107791 1030971767 /nfs/dbraw/zinc/97/17/67/1030971767.db2.gz SDBWMTXXVWWBER-QAPCUYQASA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483107791 1030971777 /nfs/dbraw/zinc/97/17/77/1030971777.db2.gz SDBWMTXXVWWBER-QAPCUYQASA-N 1 2 331.362 3.668 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372500 1031003049 /nfs/dbraw/zinc/00/30/49/1031003049.db2.gz OXBUIXSWWUSYFV-SUNKGSAMSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC000448372500 1031003062 /nfs/dbraw/zinc/00/30/62/1031003062.db2.gz OXBUIXSWWUSYFV-SUNKGSAMSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)o1 ZINC000527641324 1031066359 /nfs/dbraw/zinc/06/63/59/1031066359.db2.gz NGVPMPFEOCWRCU-XHDPSFHLSA-N 1 2 328.441 3.550 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccco1 ZINC000527648467 1031078608 /nfs/dbraw/zinc/07/86/08/1031078608.db2.gz GVOGINWFNVCKTR-JIGZGPPQSA-N 1 2 338.451 3.631 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)cc(C(F)(F)F)c1 ZINC000527694323 1031127586 /nfs/dbraw/zinc/12/75/86/1031127586.db2.gz WIIBVYACEQRHHF-QMMMGPOBSA-N 1 2 331.363 3.725 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483377981 1031135877 /nfs/dbraw/zinc/13/58/77/1031135877.db2.gz DQWWKTOYTBRBDK-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483377981 1031135891 /nfs/dbraw/zinc/13/58/91/1031135891.db2.gz DQWWKTOYTBRBDK-DYVFJYSZSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000483412333 1031151772 /nfs/dbraw/zinc/15/17/72/1031151772.db2.gz SJWNXKWZUMTQRM-CQSZACIVSA-N 1 2 346.272 3.727 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@@H]2CCSC2)c1 ZINC000278506979 1031151725 /nfs/dbraw/zinc/15/17/25/1031151725.db2.gz OIFHZLUWWXICNW-HNNXBMFYSA-N 1 2 333.526 3.940 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@@H]2CCSC2)c1 ZINC000278506979 1031151732 /nfs/dbraw/zinc/15/17/32/1031151732.db2.gz OIFHZLUWWXICNW-HNNXBMFYSA-N 1 2 333.526 3.940 20 0 EHADLO C[C@H](O)[C@H]([NH2+]Cc1ccsc1Br)c1ccccc1F ZINC000527724500 1031153713 /nfs/dbraw/zinc/15/37/13/1031153713.db2.gz HNWZREYIJGQGIM-ZANVPECISA-N 1 2 344.249 3.861 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc(O)c3OC)CCO2)cc1 ZINC000483427804 1031160746 /nfs/dbraw/zinc/16/07/46/1031160746.db2.gz LGCHNLDQJPLARE-LJQANCHMSA-N 1 2 327.424 3.537 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc(O)c3OC)CCO2)cc1 ZINC000483427804 1031160752 /nfs/dbraw/zinc/16/07/52/1031160752.db2.gz LGCHNLDQJPLARE-LJQANCHMSA-N 1 2 327.424 3.537 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2ccc(Br)c(F)c2F)o1 ZINC000527709803 1031170376 /nfs/dbraw/zinc/17/03/76/1031170376.db2.gz KOIYDVUYDIHNSN-UHFFFAOYSA-N 1 2 345.187 3.876 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1coc3ccccc13)C2 ZINC000583953105 1031217706 /nfs/dbraw/zinc/21/77/06/1031217706.db2.gz OKVDALCUOSISHL-CYBMUJFWSA-N 1 2 337.423 3.701 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1coc3ccccc13)CC2 ZINC000583953105 1031217720 /nfs/dbraw/zinc/21/77/20/1031217720.db2.gz OKVDALCUOSISHL-CYBMUJFWSA-N 1 2 337.423 3.701 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000483596007 1031233289 /nfs/dbraw/zinc/23/32/89/1031233289.db2.gz WMAKJABVYZNQCH-IBGZPJMESA-N 1 2 340.471 3.889 20 0 EHADLO CC[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccc(F)cc1F ZINC000278524347 1031236625 /nfs/dbraw/zinc/23/66/25/1031236625.db2.gz DBZQBNCVFAEUDM-AWEZNQCLSA-N 1 2 340.805 3.715 20 0 EHADLO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)c4noc(C)n4)CC3)c2c1 ZINC000278527788 1031239569 /nfs/dbraw/zinc/23/95/69/1031239569.db2.gz DKPSRIUCBYZYEM-GFCCVEGCSA-N 1 2 340.427 3.809 20 0 EHADLO OC1(c2ccccc2)CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000760597702 1031248489 /nfs/dbraw/zinc/24/84/89/1031248489.db2.gz NZLHDRTZZULDEQ-UHFFFAOYSA-N 1 2 338.455 3.541 20 0 EHADLO OC1(c2ccccc2)CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000760597702 1031248502 /nfs/dbraw/zinc/24/85/02/1031248502.db2.gz NZLHDRTZZULDEQ-UHFFFAOYSA-N 1 2 338.455 3.541 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1Cl ZINC000431456986 1031274476 /nfs/dbraw/zinc/27/44/76/1031274476.db2.gz MULMIZMLFLKUJX-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)[nH]1 ZINC000583980683 1031296036 /nfs/dbraw/zinc/29/60/36/1031296036.db2.gz UYMXKTAPBHEORA-LBPRGKRZSA-N 1 2 325.416 3.503 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000175396463 1031300633 /nfs/dbraw/zinc/30/06/33/1031300633.db2.gz SMOWXUUPNRIFSK-HOTGVXAUSA-N 1 2 332.492 3.835 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000448629421 1031350111 /nfs/dbraw/zinc/35/01/11/1031350111.db2.gz HODGPZOBWGRECJ-PMACEKPBSA-N 1 2 349.478 3.882 20 0 EHADLO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865487 1031361019 /nfs/dbraw/zinc/36/10/19/1031361019.db2.gz VJRHGKMDCGEWEI-CABCVRRESA-N 1 2 347.484 3.877 20 0 EHADLO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1)c1cccs1 ZINC000175865487 1031361032 /nfs/dbraw/zinc/36/10/32/1031361032.db2.gz VJRHGKMDCGEWEI-CABCVRRESA-N 1 2 347.484 3.877 20 0 EHADLO CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000194694286 1031361276 /nfs/dbraw/zinc/36/12/76/1031361276.db2.gz RHNWPDDCSAUWRQ-UHFFFAOYSA-N 1 2 341.802 3.691 20 0 EHADLO FC(F)c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000183969024 1031385113 /nfs/dbraw/zinc/38/51/13/1031385113.db2.gz FJQDRRQFRXOYRE-UHFFFAOYSA-N 1 2 337.801 3.995 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527894044 1031390131 /nfs/dbraw/zinc/39/01/31/1031390131.db2.gz PFJKYABPJXQXHG-CABCVRRESA-N 1 2 336.439 3.903 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000469113559 1031395010 /nfs/dbraw/zinc/39/50/10/1031395010.db2.gz XYZUCPNCBLHHTO-CQSZACIVSA-N 1 2 342.270 3.888 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000469113559 1031395027 /nfs/dbraw/zinc/39/50/27/1031395027.db2.gz XYZUCPNCBLHHTO-CQSZACIVSA-N 1 2 342.270 3.888 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1cc2ccccc2o1 ZINC000176138339 1031417640 /nfs/dbraw/zinc/41/76/40/1031417640.db2.gz TYSHTZFJHVXCSX-NSHDSACASA-N 1 2 341.436 3.619 20 0 EHADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1cc2ccccc2o1 ZINC000176138339 1031417654 /nfs/dbraw/zinc/41/76/54/1031417654.db2.gz TYSHTZFJHVXCSX-NSHDSACASA-N 1 2 341.436 3.619 20 0 EHADLO O=C(c1c[nH]cc1-c1ccccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278570705 1031420833 /nfs/dbraw/zinc/42/08/33/1031420833.db2.gz GKAXOHCWUKOQJH-ZDUSSCGKSA-N 1 2 338.386 3.564 20 0 EHADLO CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448660470 1031427615 /nfs/dbraw/zinc/42/76/15/1031427615.db2.gz IFWRQIQENWIHOD-MOPGFXCFSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(NCc1ccsc1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527972885 1031504568 /nfs/dbraw/zinc/50/45/68/1031504568.db2.gz YDOSRSQZNOFZSK-INIZCTEOSA-N 1 2 334.872 3.682 20 0 EHADLO O=C(NCc1ccsc1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527972885 1031504578 /nfs/dbraw/zinc/50/45/78/1031504578.db2.gz YDOSRSQZNOFZSK-INIZCTEOSA-N 1 2 334.872 3.682 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000347417238 1031505704 /nfs/dbraw/zinc/50/57/04/1031505704.db2.gz DNFIPDVFHVGBRQ-XMTFNYHQSA-N 1 2 329.488 3.733 20 0 EHADLO CCC(C)(C)C1CCC([NH2+]C(c2nccn2C)c2nccn2C)CC1 ZINC000527958743 1031522786 /nfs/dbraw/zinc/52/27/86/1031522786.db2.gz WPCYDLTYGPTYCR-UHFFFAOYSA-N 1 2 343.519 3.828 20 0 EHADLO Cn1cc2ccc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)cc2n1 ZINC000527962874 1031529150 /nfs/dbraw/zinc/52/91/50/1031529150.db2.gz MXMSFLIPRJTTAU-KRWDZBQOSA-N 1 2 329.394 3.929 20 0 EHADLO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cn(-c2ccccc2)nn1 ZINC000527968039 1031536812 /nfs/dbraw/zinc/53/68/12/1031536812.db2.gz NWSMUTTYVUARPU-YWZLYKJASA-N 1 2 333.439 3.854 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080617056 1031546904 /nfs/dbraw/zinc/54/69/04/1031546904.db2.gz ABDDYXAOTBKUFD-OALUTQOASA-N 1 2 340.471 3.559 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177547916 1031550231 /nfs/dbraw/zinc/55/02/31/1031550231.db2.gz MWPDDQNIUHHNFF-WMZOPIPTSA-N 1 2 325.456 3.579 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000477444542 1031552566 /nfs/dbraw/zinc/55/25/66/1031552566.db2.gz FGILRVLUGIIAKK-UHFFFAOYSA-N 1 2 348.537 3.895 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000477444542 1031552587 /nfs/dbraw/zinc/55/25/87/1031552587.db2.gz FGILRVLUGIIAKK-UHFFFAOYSA-N 1 2 348.537 3.895 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)c2ccsc2)c2nccn2C)cc1 ZINC000177811868 1031572731 /nfs/dbraw/zinc/57/27/31/1031572731.db2.gz RTBPRGFIROPZKV-CXAGYDPISA-N 1 2 327.453 3.930 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cccc2c1N=S=N2 ZINC000278598638 1031573273 /nfs/dbraw/zinc/57/32/73/1031573273.db2.gz DSVUETOODLGEJP-VIFPVBQESA-N 1 2 344.362 3.626 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cccc2c1N=S=N2 ZINC000278598638 1031573282 /nfs/dbraw/zinc/57/32/82/1031573282.db2.gz DSVUETOODLGEJP-VIFPVBQESA-N 1 2 344.362 3.626 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CC2CCC1CC2 ZINC000584060257 1031606083 /nfs/dbraw/zinc/60/60/83/1031606083.db2.gz UDTLYQZDFVDINT-CNFALQKSSA-N 1 2 327.472 3.747 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCC23CC3)C[C@H](C)O1 ZINC000528035772 1031615632 /nfs/dbraw/zinc/61/56/32/1031615632.db2.gz KVSHZPLDCQFDHA-SOLBZPMBSA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCC23CC3)C[C@H](C)O1 ZINC000528035772 1031615639 /nfs/dbraw/zinc/61/56/39/1031615639.db2.gz KVSHZPLDCQFDHA-SOLBZPMBSA-N 1 2 342.483 3.815 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000528034223 1031616179 /nfs/dbraw/zinc/61/61/79/1031616179.db2.gz JIGBHHLUHXPFHF-UHFFFAOYSA-N 1 2 349.478 3.810 20 0 EHADLO CSCc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178198900 1031641271 /nfs/dbraw/zinc/64/12/71/1031641271.db2.gz RQAPHHSWOHBDBE-UHFFFAOYSA-N 1 2 326.425 3.519 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(Cl)cc(Cl)c1 ZINC000178155630 1031659133 /nfs/dbraw/zinc/65/91/33/1031659133.db2.gz MTJLTFNDSNNREG-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO Cc1csc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000448773200 1031661926 /nfs/dbraw/zinc/66/19/26/1031661926.db2.gz WQXULXOETOVOSH-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1csc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000448773200 1031661930 /nfs/dbraw/zinc/66/19/30/1031661930.db2.gz WQXULXOETOVOSH-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528083794 1031678679 /nfs/dbraw/zinc/67/86/79/1031678679.db2.gz QAJZDHKSBCDOSB-CEXWTWQISA-N 1 2 344.503 3.521 20 0 EHADLO Cc1ccc(SCCC(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000178374103 1031690175 /nfs/dbraw/zinc/69/01/75/1031690175.db2.gz PFQWXWPQCGXOCM-UHFFFAOYSA-N 1 2 339.464 3.750 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2[nH]c3ccccc3c2C1 ZINC000179055052 1031729472 /nfs/dbraw/zinc/72/94/72/1031729472.db2.gz QSUSKQJABJXZDZ-UHFFFAOYSA-N 1 2 346.438 3.625 20 0 EHADLO Cn1ccc2c1cccc2NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635479036 1031739472 /nfs/dbraw/zinc/73/94/72/1031739472.db2.gz PUOCZQBQCLLIQG-AWEZNQCLSA-N 1 2 336.317 3.507 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](CC)Cc2cccc(Br)c2)o1 ZINC000343642762 1031750145 /nfs/dbraw/zinc/75/01/45/1031750145.db2.gz HKCDWLGOKLVCIV-NSHDSACASA-N 1 2 338.249 3.978 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](CC)Cc2cccc(Br)c2)o1 ZINC000343642762 1031750158 /nfs/dbraw/zinc/75/01/58/1031750158.db2.gz HKCDWLGOKLVCIV-NSHDSACASA-N 1 2 338.249 3.978 20 0 EHADLO O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117571382 1031753918 /nfs/dbraw/zinc/75/39/18/1031753918.db2.gz AFGHNEGHWYBVEM-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000151624680 1031762657 /nfs/dbraw/zinc/76/26/57/1031762657.db2.gz CBEWDVHSKKSFKY-QGZVFWFLSA-N 1 2 343.515 3.893 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000151624757 1031763597 /nfs/dbraw/zinc/76/35/97/1031763597.db2.gz YEYZDRJNBKNJPN-FQEVSTJZSA-N 1 2 340.467 3.880 20 0 EHADLO CC1=C(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCO1 ZINC000179302848 1031764951 /nfs/dbraw/zinc/76/49/51/1031764951.db2.gz JXAHZUSRZLCXPH-UHFFFAOYSA-N 1 2 337.423 3.909 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCC34CC4)n2)C1 ZINC000528140413 1031767954 /nfs/dbraw/zinc/76/79/54/1031767954.db2.gz PVFNDNGSKIVPGX-ZFWWWQNUSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCC34CC4)n2)C1 ZINC000528140413 1031767972 /nfs/dbraw/zinc/76/79/72/1031767972.db2.gz PVFNDNGSKIVPGX-ZFWWWQNUSA-N 1 2 333.501 3.894 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117672890 1031792580 /nfs/dbraw/zinc/79/25/80/1031792580.db2.gz QAHUHFFTLMCNCO-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635500354 1031811715 /nfs/dbraw/zinc/81/17/15/1031811715.db2.gz PCZFLTSDKIKJOZ-HZSPNIEDSA-N 1 2 331.382 3.708 20 0 EHADLO C[C@H]1Cc2ccccc2N(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635502038 1031817783 /nfs/dbraw/zinc/81/77/83/1031817783.db2.gz COFGINHAKKSXGT-WFASDCNBSA-N 1 2 337.345 3.602 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(F)c(Cl)c2)CC12CCCCC2 ZINC000537708410 1031844169 /nfs/dbraw/zinc/84/41/69/1031844169.db2.gz CXJSUIBNMSGZQV-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC12CCCCC2 ZINC000537708410 1031844185 /nfs/dbraw/zinc/84/41/85/1031844185.db2.gz CXJSUIBNMSGZQV-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COC3(CCC3)C2)c1 ZINC000892372074 1031848436 /nfs/dbraw/zinc/84/84/36/1031848436.db2.gz ANRHPQYBOYHEHW-KRWDZBQOSA-N 1 2 343.496 3.899 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2COC3(CCC3)C2)c1 ZINC000892372074 1031848452 /nfs/dbraw/zinc/84/84/52/1031848452.db2.gz ANRHPQYBOYHEHW-KRWDZBQOSA-N 1 2 343.496 3.899 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000904269368 1031897197 /nfs/dbraw/zinc/89/71/97/1031897197.db2.gz CXOBRYFEMDXPMO-OXQOHEQNSA-N 1 2 332.407 3.784 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3nnc(C4CCC4)n3C)c2c1 ZINC000181075440 1031943875 /nfs/dbraw/zinc/94/38/75/1031943875.db2.gz QJWMXCLUOOMTMV-UHFFFAOYSA-N 1 2 338.411 3.527 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482325 1031995064 /nfs/dbraw/zinc/99/50/64/1031995064.db2.gz ZKCYWEDVIWBGTH-IAGOWNOFSA-N 1 2 346.519 3.906 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(CC)CC ZINC000181482325 1031995077 /nfs/dbraw/zinc/99/50/77/1031995077.db2.gz ZKCYWEDVIWBGTH-IAGOWNOFSA-N 1 2 346.519 3.906 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000449001180 1032007398 /nfs/dbraw/zinc/00/73/98/1032007398.db2.gz CKLLRRGHXQNXMY-CQSZACIVSA-N 1 2 327.457 3.553 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000449001180 1032007407 /nfs/dbraw/zinc/00/74/07/1032007407.db2.gz CKLLRRGHXQNXMY-CQSZACIVSA-N 1 2 327.457 3.553 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccccc1OC(F)F ZINC000924647739 1032009011 /nfs/dbraw/zinc/00/90/11/1032009011.db2.gz RNQFCGZVAMNDSF-GWCFXTLKSA-N 1 2 326.343 3.570 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000455807478 1032012259 /nfs/dbraw/zinc/01/22/59/1032012259.db2.gz MNVVWUQPRPLQTM-UHFFFAOYSA-N 1 2 334.370 3.864 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccnn2C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000449017090 1032032094 /nfs/dbraw/zinc/03/20/94/1032032094.db2.gz GVCCWTWBSGCFBM-OXQOHEQNSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccnn2C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000449017090 1032032110 /nfs/dbraw/zinc/03/21/10/1032032110.db2.gz GVCCWTWBSGCFBM-OXQOHEQNSA-N 1 2 325.456 3.960 20 0 EHADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343711558 1032033545 /nfs/dbraw/zinc/03/35/45/1032033545.db2.gz HVNGFOHBBFKXQY-APWZRJJASA-N 1 2 337.467 3.835 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1csc(C)c1 ZINC000449007790 1032050019 /nfs/dbraw/zinc/05/00/19/1032050019.db2.gz MZDAAFVPEWGOJK-UHFFFAOYSA-N 1 2 338.860 3.789 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1csc(C)c1 ZINC000449007790 1032050028 /nfs/dbraw/zinc/05/00/28/1032050028.db2.gz MZDAAFVPEWGOJK-UHFFFAOYSA-N 1 2 338.860 3.789 20 0 EHADLO CC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC(C)CC1 ZINC000460786993 1032050203 /nfs/dbraw/zinc/05/02/03/1032050203.db2.gz OFGCAZWISMSROK-DAWZGUTISA-N 1 2 329.488 3.583 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccncc2F)CC1 ZINC000449012431 1032054843 /nfs/dbraw/zinc/05/48/43/1032054843.db2.gz CLIPFMAZVSHCMI-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1cc(Br)ccc1-c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000574576351 1033303141 /nfs/dbraw/zinc/30/31/41/1033303141.db2.gz MSRUWUPXYBMDCA-LLVKDONJSA-N 1 2 347.216 3.808 20 0 EHADLO C[C@H](CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)n1cc[nH+]c1 ZINC000574576130 1033304523 /nfs/dbraw/zinc/30/45/23/1033304523.db2.gz IIQGLDJSULSNFH-GFCCVEGCSA-N 1 2 326.400 3.912 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054918 1033307760 /nfs/dbraw/zinc/30/77/60/1033307760.db2.gz KTBZSOYHPIUCLC-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054918 1033307775 /nfs/dbraw/zinc/30/77/75/1033307775.db2.gz KTBZSOYHPIUCLC-MNOVXSKESA-N 1 2 334.769 3.860 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)n2)ccc1F ZINC000761058038 1033319012 /nfs/dbraw/zinc/31/90/12/1033319012.db2.gz SNABNKAWEVQYFM-NSHDSACASA-N 1 2 329.297 3.568 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C3)n2)ccc1F ZINC000761058038 1033319030 /nfs/dbraw/zinc/31/90/30/1033319030.db2.gz SNABNKAWEVQYFM-NSHDSACASA-N 1 2 329.297 3.568 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1csc(-c2ccccn2)n1 ZINC000170627443 1033343134 /nfs/dbraw/zinc/34/31/34/1033343134.db2.gz ZJXGOOAZSDDRJQ-UHFFFAOYSA-N 1 2 347.403 3.848 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OC)c1nnc2n1CCCCC2 ZINC000594385998 1033345194 /nfs/dbraw/zinc/34/51/94/1033345194.db2.gz ADBVPSNFKSOSLC-HNNXBMFYSA-N 1 2 348.878 3.907 20 0 EHADLO Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)c(Cl)c1Cl ZINC000449860188 1033356719 /nfs/dbraw/zinc/35/67/19/1033356719.db2.gz ZPDWIKZXSMYLTR-UHFFFAOYSA-N 1 2 338.238 3.929 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000607855850 1033363044 /nfs/dbraw/zinc/36/30/44/1033363044.db2.gz PATLDWLHFBLTBX-PXNSSMCTSA-N 1 2 347.462 3.837 20 0 EHADLO C[C@@H]1C[C@@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@H]2C)CCO1 ZINC001168113508 1033371361 /nfs/dbraw/zinc/37/13/61/1033371361.db2.gz GUDOPSBBCYBPAO-NUJGCVRESA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1C[C@@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@H]2C)CCO1 ZINC001168113508 1033371378 /nfs/dbraw/zinc/37/13/78/1033371378.db2.gz GUDOPSBBCYBPAO-NUJGCVRESA-N 1 2 347.503 3.534 20 0 EHADLO CC(C)(C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc2ccccc2c1 ZINC000607899281 1033395352 /nfs/dbraw/zinc/39/53/52/1033395352.db2.gz AHIIZCSKDLWTRJ-UHFFFAOYSA-N 1 2 346.430 3.802 20 0 EHADLO Cc1cccc(OCCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000029951297 1033397566 /nfs/dbraw/zinc/39/75/66/1033397566.db2.gz BPTRYJSYIOTJPJ-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO Cc1ccc([C@H]2CCCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)o1 ZINC000607958975 1033403489 /nfs/dbraw/zinc/40/34/89/1033403489.db2.gz VSXYSWTXYZHEEF-MRXNPFEDSA-N 1 2 342.443 3.558 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000449904239 1033406131 /nfs/dbraw/zinc/40/61/31/1033406131.db2.gz PMIZKQWGELYYEF-SZVBFZGTSA-N 1 2 344.499 3.838 20 0 EHADLO COc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000594465900 1033408424 /nfs/dbraw/zinc/40/84/24/1033408424.db2.gz KGIHYVZMUJXXIE-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccnc2C2CC2)n1 ZINC000898313353 1033449827 /nfs/dbraw/zinc/44/98/27/1033449827.db2.gz YYTVQJAOINKIBD-UHFFFAOYSA-N 1 2 330.457 3.510 20 0 EHADLO Cn1cc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)nn1 ZINC000608053309 1033469848 /nfs/dbraw/zinc/46/98/48/1033469848.db2.gz OKAYVTCWXNTCBP-LJQANCHMSA-N 1 2 338.480 3.635 20 0 EHADLO C[C@@H](CCC(F)(F)F)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594614709 1033480678 /nfs/dbraw/zinc/48/06/78/1033480678.db2.gz JKCBFTMAPCXROC-JSGCOSHPSA-N 1 2 346.393 3.655 20 0 EHADLO CCCCCC[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000173766666 1033506753 /nfs/dbraw/zinc/50/67/53/1033506753.db2.gz QVSOQRWFLGUWSM-ROUUACIJSA-N 1 2 331.504 3.893 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000460341159 1033512726 /nfs/dbraw/zinc/51/27/26/1033512726.db2.gz XPZAWRCBQSZNJX-MNOVXSKESA-N 1 2 329.762 3.869 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[NH2+]Cc3cn[nH]c3)cs2)cc1 ZINC000608142386 1033515411 /nfs/dbraw/zinc/51/54/11/1033515411.db2.gz WEOHZWXOERVYNO-UHFFFAOYSA-N 1 2 338.358 3.842 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000608206569 1033541673 /nfs/dbraw/zinc/54/16/73/1033541673.db2.gz GCCOYKWRMUMJFN-HXUWFJFHSA-N 1 2 345.446 3.623 20 0 EHADLO Cc1ncccc1C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000643884964 1033549756 /nfs/dbraw/zinc/54/97/56/1033549756.db2.gz BZBNDMJCAPDNGH-UHFFFAOYSA-N 1 2 332.201 3.584 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528392 1033562396 /nfs/dbraw/zinc/56/23/96/1033562396.db2.gz QRLUABFTRVPZIO-GXTWGEPZSA-N 1 2 342.405 3.715 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528392 1033562403 /nfs/dbraw/zinc/56/24/03/1033562403.db2.gz QRLUABFTRVPZIO-GXTWGEPZSA-N 1 2 342.405 3.715 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@]12C[C@H]1CCC2 ZINC000666895577 1033564217 /nfs/dbraw/zinc/56/42/17/1033564217.db2.gz USCXQUMIZGOTLU-FOIQADDNSA-N 1 2 336.439 3.951 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762807 1033583759 /nfs/dbraw/zinc/58/37/59/1033583759.db2.gz RZKVTRZRYDPGEX-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000170762807 1033583765 /nfs/dbraw/zinc/58/37/65/1033583765.db2.gz RZKVTRZRYDPGEX-MDASCCDHSA-N 1 2 331.843 3.835 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000685604896 1033612559 /nfs/dbraw/zinc/61/25/59/1033612559.db2.gz ZTPFWCFRHFGDGD-OALUTQOASA-N 1 2 341.430 3.545 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000685604896 1033612572 /nfs/dbraw/zinc/61/25/72/1033612572.db2.gz ZTPFWCFRHFGDGD-OALUTQOASA-N 1 2 341.430 3.545 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1F ZINC000608314022 1033613503 /nfs/dbraw/zinc/61/35/03/1033613503.db2.gz ZOOPQIIMTHYFDE-LLVKDONJSA-N 1 2 330.338 3.538 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651083 1033671237 /nfs/dbraw/zinc/67/12/37/1033671237.db2.gz ZXOUSMTYXYPQKE-QWRGUYRKSA-N 1 2 326.322 3.529 20 0 EHADLO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651648 1033681303 /nfs/dbraw/zinc/68/13/03/1033681303.db2.gz UACLPWCGIVPNLZ-RDJZCZTQSA-N 1 2 334.423 3.819 20 0 EHADLO Cc1cc(F)c(NC(=O)NCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000529250341 1033700732 /nfs/dbraw/zinc/70/07/32/1033700732.db2.gz IMAOTBOYMDWBMT-UHFFFAOYSA-N 1 2 336.798 3.642 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000610069884 1033719973 /nfs/dbraw/zinc/71/99/73/1033719973.db2.gz KCDYDRSQVLLOQW-GJZGRUSLSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)oc2c1C(=O)CCC2 ZINC000046118731 1033728757 /nfs/dbraw/zinc/72/87/57/1033728757.db2.gz WVUQORKXDHSTGH-UHFFFAOYSA-N 1 2 335.363 3.545 20 0 EHADLO CCc1cnc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000608500570 1033731834 /nfs/dbraw/zinc/73/18/34/1033731834.db2.gz OYJFXMXEROKENP-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000608500583 1033732080 /nfs/dbraw/zinc/73/20/80/1033732080.db2.gz VGZKKRRBJVSIDB-IBGZPJMESA-N 1 2 330.859 3.980 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000608500583 1033732086 /nfs/dbraw/zinc/73/20/86/1033732086.db2.gz VGZKKRRBJVSIDB-IBGZPJMESA-N 1 2 330.859 3.980 20 0 EHADLO O=C(C[NH+]1CCC(OCC2CCCCC2)CC1)Nc1ccccc1F ZINC000608499922 1033733386 /nfs/dbraw/zinc/73/33/86/1033733386.db2.gz HVIREIATASSRSM-UHFFFAOYSA-N 1 2 348.462 3.826 20 0 EHADLO C[C@H](Cc1nc(Cc2cc(Cl)ccc2Cl)no1)n1cc[nH+]c1 ZINC000574993102 1033753732 /nfs/dbraw/zinc/75/37/32/1033753732.db2.gz HSXKYLRRFCGYIJ-SNVBAGLBSA-N 1 2 337.210 3.967 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccsc2)C[C@H](C)O1 ZINC000046344054 1033756858 /nfs/dbraw/zinc/75/68/58/1033756858.db2.gz JIUHPEAGRVKIAA-GJZGRUSLSA-N 1 2 344.480 3.539 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nc3ccccc3s2)[C@@H](CC)CN1C(C)=O ZINC000472350465 1033758660 /nfs/dbraw/zinc/75/86/60/1033758660.db2.gz NNHABQXRLVGPSE-GJZGRUSLSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nc3ccccc3s2)[C@@H](CC)CN1C(C)=O ZINC000472350465 1033758676 /nfs/dbraw/zinc/75/86/76/1033758676.db2.gz NNHABQXRLVGPSE-GJZGRUSLSA-N 1 2 331.485 3.518 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC000575029824 1033764408 /nfs/dbraw/zinc/76/44/08/1033764408.db2.gz NGLPDIZXXNTSTM-SNVBAGLBSA-N 1 2 336.304 3.621 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC000575029824 1033764424 /nfs/dbraw/zinc/76/44/24/1033764424.db2.gz NGLPDIZXXNTSTM-SNVBAGLBSA-N 1 2 336.304 3.621 20 0 EHADLO O=C(Nc1ccccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081932530 1033771867 /nfs/dbraw/zinc/77/18/67/1033771867.db2.gz WCUGUWGMUXZAHJ-KRWDZBQOSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1ccccc1O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081932530 1033771882 /nfs/dbraw/zinc/77/18/82/1033771882.db2.gz WCUGUWGMUXZAHJ-KRWDZBQOSA-N 1 2 328.387 3.525 20 0 EHADLO Cn1nc(C[NH2+]Cc2c(F)cccc2OC(F)F)c2ccccc21 ZINC000608579538 1033772251 /nfs/dbraw/zinc/77/22/51/1033772251.db2.gz WYNMTGGLSMRZJF-UHFFFAOYSA-N 1 2 335.329 3.604 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000174198507 1033800177 /nfs/dbraw/zinc/80/01/77/1033800177.db2.gz DHYSDXVNQKQZRY-SJORKVTESA-N 1 2 343.515 3.664 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCCCC1 ZINC000007002084 1033848264 /nfs/dbraw/zinc/84/82/64/1033848264.db2.gz BXGLUJIPXHDJDB-VXGBXAGGSA-N 1 2 331.485 3.656 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000120478961 1033849673 /nfs/dbraw/zinc/84/96/73/1033849673.db2.gz DUFRAAXOGMEGPZ-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608716285 1033852037 /nfs/dbraw/zinc/85/20/37/1033852037.db2.gz SKDZVIOPIOBHKD-MOPGFXCFSA-N 1 2 338.455 3.771 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608751364 1033861772 /nfs/dbraw/zinc/86/17/72/1033861772.db2.gz ZFNISIGJDYPZRB-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608751364 1033861788 /nfs/dbraw/zinc/86/17/88/1033861788.db2.gz ZFNISIGJDYPZRB-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120525061 1033912862 /nfs/dbraw/zinc/91/28/62/1033912862.db2.gz OBVYKASDBHHRRN-HNNXBMFYSA-N 1 2 341.798 3.510 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)no2)c1 ZINC000450218442 1033921762 /nfs/dbraw/zinc/92/17/62/1033921762.db2.gz XSZHCOPYSLJZQT-AWEZNQCLSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CCC[C@H]3c3cccs3)no2)c1 ZINC000450218442 1033921775 /nfs/dbraw/zinc/92/17/75/1033921775.db2.gz XSZHCOPYSLJZQT-AWEZNQCLSA-N 1 2 326.425 3.839 20 0 EHADLO FC(F)Oc1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000227364175 1033952901 /nfs/dbraw/zinc/95/29/01/1033952901.db2.gz ZRLPUFYQUPZZJN-UHFFFAOYSA-N 1 2 332.144 3.933 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000055273700 1033943018 /nfs/dbraw/zinc/94/30/18/1033943018.db2.gz JHBILHRCQLKHLB-CQSZACIVSA-N 1 2 341.386 3.981 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000055273700 1033943028 /nfs/dbraw/zinc/94/30/28/1033943028.db2.gz JHBILHRCQLKHLB-CQSZACIVSA-N 1 2 341.386 3.981 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1cccc(C(F)(F)F)c1 ZINC000669700009 1033957278 /nfs/dbraw/zinc/95/72/78/1033957278.db2.gz LOUMUFNVLSRUAO-LRDDRELGSA-N 1 2 341.377 3.786 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1OC ZINC000658118260 1033977438 /nfs/dbraw/zinc/97/74/38/1033977438.db2.gz DKYMIZDRSXOMPE-GFCCVEGCSA-N 1 2 349.402 3.711 20 0 EHADLO CC(C)CCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000455971342 1033983849 /nfs/dbraw/zinc/98/38/49/1033983849.db2.gz ZHGOFDGRMITFIU-UHFFFAOYSA-N 1 2 341.459 3.736 20 0 EHADLO O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000603884120 1034009600 /nfs/dbraw/zinc/00/96/00/1034009600.db2.gz RBJGQNLAEPOKBR-UHFFFAOYSA-N 1 2 327.771 3.589 20 0 EHADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000595863278 1034011775 /nfs/dbraw/zinc/01/17/75/1034011775.db2.gz MQONISWGIITCTP-MKQDKFQKSA-N 1 2 341.373 3.880 20 0 EHADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000595863278 1034011777 /nfs/dbraw/zinc/01/17/77/1034011777.db2.gz MQONISWGIITCTP-MKQDKFQKSA-N 1 2 341.373 3.880 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC000658158182 1034014850 /nfs/dbraw/zinc/01/48/50/1034014850.db2.gz HCMOPHKTODYOIW-CQSZACIVSA-N 1 2 336.867 3.872 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1NC(=O)C1(c2ccccc2)CCCCCC1 ZINC000529465956 1034016639 /nfs/dbraw/zinc/01/66/39/1034016639.db2.gz BBJQUSJFYWCGGE-QZTJIDSGSA-N 1 2 337.467 3.684 20 0 EHADLO c1ccc(OCC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450282470 1034044886 /nfs/dbraw/zinc/04/48/86/1034044886.db2.gz HIMZFQVDERHYCX-UHFFFAOYSA-N 1 2 329.469 3.707 20 0 EHADLO C[C@@H]1CC=C(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000456024570 1034060516 /nfs/dbraw/zinc/06/05/16/1034060516.db2.gz BBUPZEPSXXPNGY-CYBMUJFWSA-N 1 2 329.831 3.888 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000596070941 1034069556 /nfs/dbraw/zinc/06/95/56/1034069556.db2.gz IWQNMQDJXAELTL-LLVKDONJSA-N 1 2 336.338 3.572 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056940949 1034077959 /nfs/dbraw/zinc/07/79/59/1034077959.db2.gz WAYIOGRBJBVXLK-MRXNPFEDSA-N 1 2 344.846 3.524 20 0 EHADLO Cc1ncc(C[NH+]2CCN(c3nc4cc(C)cc(C)c4o3)CC2)s1 ZINC000450311601 1034090121 /nfs/dbraw/zinc/09/01/21/1034090121.db2.gz IILHCCHHXGEZOM-UHFFFAOYSA-N 1 2 342.468 3.532 20 0 EHADLO Cn1cc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c2ccccc21 ZINC000658214526 1034097299 /nfs/dbraw/zinc/09/72/99/1034097299.db2.gz ZNHYVPBURABIAM-IBGZPJMESA-N 1 2 337.471 3.750 20 0 EHADLO Oc1ccc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)cc1 ZINC000529516544 1034100202 /nfs/dbraw/zinc/10/02/02/1034100202.db2.gz KJSSYWWOAGNOLE-UHFFFAOYSA-N 1 2 342.386 3.795 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599679295 1034107262 /nfs/dbraw/zinc/10/72/62/1034107262.db2.gz MPPLEQPZLHARRC-DYVFJYSZSA-N 1 2 349.427 3.599 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599679295 1034107278 /nfs/dbraw/zinc/10/72/78/1034107278.db2.gz MPPLEQPZLHARRC-DYVFJYSZSA-N 1 2 349.427 3.599 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000119402136 1034141006 /nfs/dbraw/zinc/14/10/06/1034141006.db2.gz DFEGUISUAYEWTP-IEBWSBKVSA-N 1 2 337.467 3.816 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000450341534 1034148782 /nfs/dbraw/zinc/14/87/82/1034148782.db2.gz KPWJAUMGEGSDJO-UHFFFAOYSA-N 1 2 343.496 3.879 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3Cc3ccccc3C)[nH+]c12 ZINC000604027805 1034156636 /nfs/dbraw/zinc/15/66/36/1034156636.db2.gz NVLXMWZACZEADT-FQEVSTJZSA-N 1 2 347.462 3.727 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000537616060 1034158016 /nfs/dbraw/zinc/15/80/16/1034158016.db2.gz IRSYMOPMKCOSFC-ACJLOTCBSA-N 1 2 329.371 3.516 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000537616060 1034158021 /nfs/dbraw/zinc/15/80/21/1034158021.db2.gz IRSYMOPMKCOSFC-ACJLOTCBSA-N 1 2 329.371 3.516 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119507577 1034174133 /nfs/dbraw/zinc/17/41/33/1034174133.db2.gz QRQDMLSQZPFNSP-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119507577 1034174147 /nfs/dbraw/zinc/17/41/47/1034174147.db2.gz QRQDMLSQZPFNSP-HXUWFJFHSA-N 1 2 327.424 3.667 20 0 EHADLO C[C@H](Nc1cc[nH+]c2cc(F)c(Br)cc12)[C@H]1CCOC1 ZINC000450353095 1034184550 /nfs/dbraw/zinc/18/45/50/1034184550.db2.gz DHPAKHKMFBGKBX-UWVGGRQHSA-N 1 2 339.208 3.973 20 0 EHADLO CCC(C)(C)c1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000119480927 1034185426 /nfs/dbraw/zinc/18/54/26/1034185426.db2.gz YMPLJDSJPCJMME-UHFFFAOYSA-N 1 2 342.487 3.802 20 0 EHADLO Cc1nc(C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000120859670 1034192983 /nfs/dbraw/zinc/19/29/83/1034192983.db2.gz GWYBKFDRYSXJNZ-GOSISDBHSA-N 1 2 332.469 3.641 20 0 EHADLO Cc1nc(C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000120859670 1034192996 /nfs/dbraw/zinc/19/29/96/1034192996.db2.gz GWYBKFDRYSXJNZ-GOSISDBHSA-N 1 2 332.469 3.641 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529555841 1034195220 /nfs/dbraw/zinc/19/52/20/1034195220.db2.gz HTXJCDTYFYJKGE-PWSUYJOCSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529555841 1034195224 /nfs/dbraw/zinc/19/52/24/1034195224.db2.gz HTXJCDTYFYJKGE-PWSUYJOCSA-N 1 2 347.684 3.623 20 0 EHADLO CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)c1cccnc1 ZINC000529565492 1034215843 /nfs/dbraw/zinc/21/58/43/1034215843.db2.gz FTCRCYULPVDBFZ-CYBMUJFWSA-N 1 2 327.457 3.522 20 0 EHADLO CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)c1cccnc1 ZINC000529565492 1034215857 /nfs/dbraw/zinc/21/58/57/1034215857.db2.gz FTCRCYULPVDBFZ-CYBMUJFWSA-N 1 2 327.457 3.522 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000120965706 1034275013 /nfs/dbraw/zinc/27/50/13/1034275013.db2.gz OEPMICJYABEVFP-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864165 1034288136 /nfs/dbraw/zinc/28/81/36/1034288136.db2.gz ZDSUXOUCLLVLSL-UHFFFAOYSA-N 1 2 330.240 3.729 20 0 EHADLO Cc1ccc2sc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000685707951 1034293112 /nfs/dbraw/zinc/29/31/12/1034293112.db2.gz UJWKQWVFQIMMHT-OAHLLOKOSA-N 1 2 325.437 3.884 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)N(c2nc(N(C)C)c3ccccc3[nH+]2)C1 ZINC000450440286 1034334685 /nfs/dbraw/zinc/33/46/85/1034334685.db2.gz NVEOPWFLUKCWKM-RDTXWAMCSA-N 1 2 333.439 3.678 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1C ZINC000529642984 1034336167 /nfs/dbraw/zinc/33/61/67/1034336167.db2.gz PXGLVYCNROGTOE-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO COc1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1C ZINC000529642984 1034336181 /nfs/dbraw/zinc/33/61/81/1034336181.db2.gz PXGLVYCNROGTOE-UHFFFAOYSA-N 1 2 325.456 3.649 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)c(C)c[nH+]1 ZINC000534299728 1034358697 /nfs/dbraw/zinc/35/86/97/1034358697.db2.gz IQANIHFUBKGUDA-LLVKDONJSA-N 1 2 347.256 3.700 20 0 EHADLO CC[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1OC(F)F ZINC000534323545 1034400182 /nfs/dbraw/zinc/40/01/82/1034400182.db2.gz WAVGEFNROXZAGA-AWEZNQCLSA-N 1 2 349.381 3.995 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604576106 1034424259 /nfs/dbraw/zinc/42/42/59/1034424259.db2.gz NKJDODKGPVAVTC-MRXNPFEDSA-N 1 2 328.460 3.888 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3c(Cl)cccc3Cl)[nH+]c12 ZINC000081964619 1034444572 /nfs/dbraw/zinc/44/45/72/1034444572.db2.gz SGWMSBTVACCUTL-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000604667386 1034449997 /nfs/dbraw/zinc/44/99/97/1034449997.db2.gz WQBQTRWFRFVGDY-DLBZAZTESA-N 1 2 332.492 3.789 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)Nc3ccccc3C)c2c1 ZINC000192976569 1034455065 /nfs/dbraw/zinc/45/50/65/1034455065.db2.gz JOCLPTUMZVDJFV-UHFFFAOYSA-N 1 2 336.391 3.878 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C(C)(C)C ZINC000604691503 1034467247 /nfs/dbraw/zinc/46/72/47/1034467247.db2.gz ZGTMMNZEZMRUNB-AWEZNQCLSA-N 1 2 329.444 3.718 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394487 1034472188 /nfs/dbraw/zinc/47/21/88/1034472188.db2.gz JYAKDJAAEGSCPG-SJORKVTESA-N 1 2 336.838 3.841 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394487 1034472197 /nfs/dbraw/zinc/47/21/97/1034472197.db2.gz JYAKDJAAEGSCPG-SJORKVTESA-N 1 2 336.838 3.841 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@]3(C)CCCc4ccccc43)no2)c1 ZINC000450568319 1034533417 /nfs/dbraw/zinc/53/34/17/1034533417.db2.gz ZXRRVPWPBWUTDK-HXUWFJFHSA-N 1 2 334.423 3.781 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)=O)cc2)Cc2ccccc21 ZINC000450595106 1034566405 /nfs/dbraw/zinc/56/64/05/1034566405.db2.gz DNTJNAUWTNFKDP-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)=O)cc2)Cc2ccccc21 ZINC000450595106 1034566416 /nfs/dbraw/zinc/56/64/16/1034566416.db2.gz DNTJNAUWTNFKDP-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c(F)c1 ZINC000597220866 1034601387 /nfs/dbraw/zinc/60/13/87/1034601387.db2.gz AQCSGRWKEJDKDF-UHFFFAOYSA-N 1 2 336.432 3.656 20 0 EHADLO COC(=O)c1sccc1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534476645 1034601984 /nfs/dbraw/zinc/60/19/84/1034601984.db2.gz BCOQNZSKQWXKHH-UHFFFAOYSA-N 1 2 333.453 3.954 20 0 EHADLO COC(=O)c1sccc1C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534476645 1034601990 /nfs/dbraw/zinc/60/19/90/1034601990.db2.gz BCOQNZSKQWXKHH-UHFFFAOYSA-N 1 2 333.453 3.954 20 0 EHADLO CSc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000450649848 1034638791 /nfs/dbraw/zinc/63/87/91/1034638791.db2.gz QKZCTSCEKKRRBR-CQSZACIVSA-N 1 2 346.521 3.989 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528992 1034647152 /nfs/dbraw/zinc/64/71/52/1034647152.db2.gz QCDUEPPMPGUGBD-CQSZACIVSA-N 1 2 333.501 3.912 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534547566 1034661966 /nfs/dbraw/zinc/66/19/66/1034661966.db2.gz IKXNOICAPWIRMB-CYBMUJFWSA-N 1 2 338.373 3.549 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534547566 1034661972 /nfs/dbraw/zinc/66/19/72/1034661972.db2.gz IKXNOICAPWIRMB-CYBMUJFWSA-N 1 2 338.373 3.549 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)c1csnn1 ZINC000450667780 1034667928 /nfs/dbraw/zinc/66/79/28/1034667928.db2.gz XFQYYYXTAYAZCB-KBPBESRZSA-N 1 2 340.452 3.924 20 0 EHADLO CC[N@H+](CC(=O)N1CCC(SC)CC1)Cc1ccccc1Cl ZINC000601689209 1034695600 /nfs/dbraw/zinc/69/56/00/1034695600.db2.gz HXMWUBKARQQSNK-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC(SC)CC1)Cc1ccccc1Cl ZINC000601689209 1034695609 /nfs/dbraw/zinc/69/56/09/1034695609.db2.gz HXMWUBKARQQSNK-UHFFFAOYSA-N 1 2 340.920 3.516 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000450767225 1034762493 /nfs/dbraw/zinc/76/24/93/1034762493.db2.gz ZFYOSKWFAGARGO-KGLIPLIRSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1C[C@H]1CCCCC1(F)F)c1cccs1 ZINC000450767225 1034762505 /nfs/dbraw/zinc/76/25/05/1034762505.db2.gz ZFYOSKWFAGARGO-KGLIPLIRSA-N 1 2 343.439 3.847 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)c[nH+]1 ZINC000456835657 1034780064 /nfs/dbraw/zinc/78/00/64/1034780064.db2.gz JFJQZVXXKXXZIS-HZPDHXFCSA-N 1 2 346.377 3.720 20 0 EHADLO Cc1cc(C)c(CNC(=O)CSCc2cccc(Cl)c2)c[nH+]1 ZINC000456842445 1034790902 /nfs/dbraw/zinc/79/09/02/1034790902.db2.gz GNSLXGWVPFRLHX-UHFFFAOYSA-N 1 2 334.872 3.901 20 0 EHADLO COc1ccc(CCCCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456862175 1034794872 /nfs/dbraw/zinc/79/48/72/1034794872.db2.gz PRRJPMWOEVMMCW-UHFFFAOYSA-N 1 2 326.440 3.736 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3c[nH+]c(C)cc3C)s2)o1 ZINC000456864177 1034797228 /nfs/dbraw/zinc/79/72/28/1034797228.db2.gz RVNFHGONTIEHCM-UHFFFAOYSA-N 1 2 341.436 3.962 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCc2nc3ccccc3s2)c[nH+]1 ZINC000456869159 1034801432 /nfs/dbraw/zinc/80/14/32/1034801432.db2.gz XWPQUBSKPDLWIP-UHFFFAOYSA-N 1 2 339.464 3.947 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c[nH+]1 ZINC000456870723 1034804534 /nfs/dbraw/zinc/80/45/34/1034804534.db2.gz ZZYYUIJPKKYHIT-UHFFFAOYSA-N 1 2 346.434 3.692 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2occc2s1 ZINC000605646315 1034808611 /nfs/dbraw/zinc/80/86/11/1034808611.db2.gz JEKOZAYIZBROIU-AWEZNQCLSA-N 1 2 340.448 3.841 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2occc2s1 ZINC000605646315 1034808621 /nfs/dbraw/zinc/80/86/21/1034808621.db2.gz JEKOZAYIZBROIU-AWEZNQCLSA-N 1 2 340.448 3.841 20 0 EHADLO CCCOc1ccc(CCC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456850004 1034808764 /nfs/dbraw/zinc/80/87/64/1034808764.db2.gz VSNUSDCGBISEAB-UHFFFAOYSA-N 1 2 326.440 3.736 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000605660750 1034815218 /nfs/dbraw/zinc/81/52/18/1034815218.db2.gz DPBLVIABRXCIBH-MRXNPFEDSA-N 1 2 331.847 3.678 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000605698732 1034819894 /nfs/dbraw/zinc/81/98/94/1034819894.db2.gz OWZSKYHPAVSPSF-DOTOQJQBSA-N 1 2 340.446 3.988 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000605698732 1034819909 /nfs/dbraw/zinc/81/99/09/1034819909.db2.gz OWZSKYHPAVSPSF-DOTOQJQBSA-N 1 2 340.446 3.988 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000450846371 1034858788 /nfs/dbraw/zinc/85/87/88/1034858788.db2.gz OUTHUGFOBSGBFH-UHFFFAOYSA-N 1 2 335.444 3.560 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000450846371 1034858794 /nfs/dbraw/zinc/85/87/94/1034858794.db2.gz OUTHUGFOBSGBFH-UHFFFAOYSA-N 1 2 335.444 3.560 20 0 EHADLO CC(C)C[N@H+](Cc1ncnn1C(C)C)[C@H]1CCCc2cccnc21 ZINC000375916469 1034914902 /nfs/dbraw/zinc/91/49/02/1034914902.db2.gz MMEKBDJPZGYJNC-KRWDZBQOSA-N 1 2 327.476 3.790 20 0 EHADLO CC(C)C[N@@H+](Cc1ncnn1C(C)C)[C@H]1CCCc2cccnc21 ZINC000375916469 1034914908 /nfs/dbraw/zinc/91/49/08/1034914908.db2.gz MMEKBDJPZGYJNC-KRWDZBQOSA-N 1 2 327.476 3.790 20 0 EHADLO O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050727 1034960378 /nfs/dbraw/zinc/96/03/78/1034960378.db2.gz ZLOGJZLUADODNB-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO Cc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(F)cc3)cs2)o1 ZINC000065947710 1035010807 /nfs/dbraw/zinc/01/08/07/1035010807.db2.gz PVBAYTSQVLSVGA-UHFFFAOYSA-N 1 2 331.372 3.688 20 0 EHADLO CC(C)Cc1c[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000413796043 1035032852 /nfs/dbraw/zinc/03/28/52/1035032852.db2.gz UXWCHFIJASBGPF-SFHVURJKSA-N 1 2 345.874 3.653 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1 ZINC000451037649 1035039775 /nfs/dbraw/zinc/03/97/75/1035039775.db2.gz PTOBYNMVRIEVRH-AWEZNQCLSA-N 1 2 347.768 3.576 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451027396 1035046710 /nfs/dbraw/zinc/04/67/10/1035046710.db2.gz VZQXCGYFJGCKIC-JOCHJYFZSA-N 1 2 349.478 3.684 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000451027396 1035046717 /nfs/dbraw/zinc/04/67/17/1035046717.db2.gz VZQXCGYFJGCKIC-JOCHJYFZSA-N 1 2 349.478 3.684 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000668782420 1035182266 /nfs/dbraw/zinc/18/22/66/1035182266.db2.gz SZYNYXPTBIKLQU-BHIYHBOVSA-N 1 2 341.499 3.503 20 0 EHADLO CCN(CCc1cccs1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376065316 1035210487 /nfs/dbraw/zinc/21/04/87/1035210487.db2.gz FGSUIFRBBUJFDW-CQSZACIVSA-N 1 2 345.512 3.791 20 0 EHADLO CCN(CCc1cccs1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376065316 1035210490 /nfs/dbraw/zinc/21/04/90/1035210490.db2.gz FGSUIFRBBUJFDW-CQSZACIVSA-N 1 2 345.512 3.791 20 0 EHADLO Cc1nc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000177825564 1035407460 /nfs/dbraw/zinc/40/74/60/1035407460.db2.gz BIRALXOVUDNQAW-AWEZNQCLSA-N 1 2 348.491 3.531 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2ncccc2c1 ZINC000431745456 1035408736 /nfs/dbraw/zinc/40/87/36/1035408736.db2.gz QQCUGCZCYAODEL-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161744754 1035476007 /nfs/dbraw/zinc/47/60/07/1035476007.db2.gz RNEFKWJZNBUCPF-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO CC1(C)CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000456886888 1035501148 /nfs/dbraw/zinc/50/11/48/1035501148.db2.gz SFAZSZQSHZQWAE-QGZVFWFLSA-N 1 2 325.456 3.878 20 0 EHADLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185635680 1035504794 /nfs/dbraw/zinc/50/47/94/1035504794.db2.gz WHZWTKJPWKHLNK-HNNXBMFYSA-N 1 2 338.224 3.659 20 0 EHADLO CC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCOC1 ZINC000463444147 1035514718 /nfs/dbraw/zinc/51/47/18/1035514718.db2.gz QMXMWWYZFWSDQP-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO CC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCOC1 ZINC000463444147 1035514730 /nfs/dbraw/zinc/51/47/30/1035514730.db2.gz QMXMWWYZFWSDQP-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO COc1cc(Cl)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000431796805 1035548621 /nfs/dbraw/zinc/54/86/21/1035548621.db2.gz MAIKXBMCIDIHBF-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2oc3ccccc3c2C)s1 ZINC000414111036 1035551228 /nfs/dbraw/zinc/55/12/28/1035551228.db2.gz IRFJTBRRWZZNDM-NSHDSACASA-N 1 2 330.409 3.835 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000463490755 1035556992 /nfs/dbraw/zinc/55/69/92/1035556992.db2.gz OBIRBTGWLHJQCI-INIZCTEOSA-N 1 2 349.471 3.991 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000463490755 1035557004 /nfs/dbraw/zinc/55/70/04/1035557004.db2.gz OBIRBTGWLHJQCI-INIZCTEOSA-N 1 2 349.471 3.991 20 0 EHADLO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000492301096 1035576885 /nfs/dbraw/zinc/57/68/85/1035576885.db2.gz KFQNNBOCGFFTIN-WHLNPGIBSA-N 1 2 349.434 3.758 20 0 EHADLO CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376249406 1035582684 /nfs/dbraw/zinc/58/26/84/1035582684.db2.gz IJDNMYBVZGELSV-YOEHRIQHSA-N 1 2 341.455 3.537 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccc2c(c1)ncn2C ZINC000463526799 1035585549 /nfs/dbraw/zinc/58/55/49/1035585549.db2.gz ZMOZCIGKAQZFSU-UHFFFAOYSA-N 1 2 339.830 3.630 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1Cl ZINC000540695319 1035595913 /nfs/dbraw/zinc/59/59/13/1035595913.db2.gz JMKPVGIEMRLABN-ZDUSSCGKSA-N 1 2 347.846 3.753 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000186181784 1035598114 /nfs/dbraw/zinc/59/81/14/1035598114.db2.gz RFYJQCKPLDNVHF-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000186181784 1035598119 /nfs/dbraw/zinc/59/81/19/1035598119.db2.gz RFYJQCKPLDNVHF-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO Fc1c[nH+]ccc1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000186425736 1035633423 /nfs/dbraw/zinc/63/34/23/1035633423.db2.gz UUCCORVWOHYBNJ-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000571750002 1035640169 /nfs/dbraw/zinc/64/01/69/1035640169.db2.gz BGEAIZPGXPHNCT-VPWXQRGCSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000571750002 1035640179 /nfs/dbraw/zinc/64/01/79/1035640179.db2.gz BGEAIZPGXPHNCT-VPWXQRGCSA-N 1 2 345.870 3.705 20 0 EHADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000186587852 1035661938 /nfs/dbraw/zinc/66/19/38/1035661938.db2.gz GKZRUBDGAQRJLY-UHFFFAOYSA-N 1 2 346.471 3.729 20 0 EHADLO COc1ccccc1Cc1nnc(SCc2ccc(C)[nH+]c2C)o1 ZINC000186606121 1035672941 /nfs/dbraw/zinc/67/29/41/1035672941.db2.gz KUNJLUAHMFHIHK-UHFFFAOYSA-N 1 2 341.436 3.973 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2c(C)oc3ccccc32)s1 ZINC000414136262 1035701451 /nfs/dbraw/zinc/70/14/51/1035701451.db2.gz ORNTUYWDYQZCMP-JTQLQIEISA-N 1 2 330.409 3.835 20 0 EHADLO CCN1C[C@@H](C[N@H+](C)Cc2csc(C(C)C)n2)Oc2ccccc21 ZINC000613387919 1035716314 /nfs/dbraw/zinc/71/63/14/1035716314.db2.gz JQHXIZVXKIUBHO-MRXNPFEDSA-N 1 2 345.512 3.986 20 0 EHADLO CCN1C[C@@H](C[N@@H+](C)Cc2csc(C(C)C)n2)Oc2ccccc21 ZINC000613387919 1035716333 /nfs/dbraw/zinc/71/63/33/1035716333.db2.gz JQHXIZVXKIUBHO-MRXNPFEDSA-N 1 2 345.512 3.986 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000540837862 1035722548 /nfs/dbraw/zinc/72/25/48/1035722548.db2.gz QMUFNUHZQLVIIL-LBPRGKRZSA-N 1 2 342.405 3.621 20 0 EHADLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000540837862 1035722566 /nfs/dbraw/zinc/72/25/66/1035722566.db2.gz QMUFNUHZQLVIIL-LBPRGKRZSA-N 1 2 342.405 3.621 20 0 EHADLO Clc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000540833307 1035734544 /nfs/dbraw/zinc/73/45/44/1035734544.db2.gz PONHFHSYEYLYDP-IAOVAPTHSA-N 1 2 329.831 3.895 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCO1 ZINC000540871055 1035751129 /nfs/dbraw/zinc/75/11/29/1035751129.db2.gz DWUQPVLECMJNQH-WBVHZDCISA-N 1 2 344.459 3.748 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2csc(-c3ccoc3)n2)c(C)[nH+]1 ZINC000187156064 1035776524 /nfs/dbraw/zinc/77/65/24/1035776524.db2.gz BIHZPLRTHOQSFF-QFIPXVFZSA-N 1 2 332.450 3.864 20 0 EHADLO COc1ccc(-c2nnc(SCc3ccc(C)[nH+]c3C)n2C)cc1 ZINC000187331732 1035793190 /nfs/dbraw/zinc/79/31/90/1035793190.db2.gz BEOQGUZUEPJWJS-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2ccccc2SC(F)(F)F)n1 ZINC000926745843 1035798904 /nfs/dbraw/zinc/79/89/04/1035798904.db2.gz ISDPURVWUGOMQC-JTQLQIEISA-N 1 2 330.379 3.761 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3c(c2)CN(C)C(=O)N3)n1-c1ccccc1 ZINC000187469407 1035829319 /nfs/dbraw/zinc/82/93/19/1035829319.db2.gz GZUYRGNKDNRMRL-UHFFFAOYSA-N 1 2 347.422 3.770 20 0 EHADLO C[C@@H](NC(=O)N(C)CCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174211408 1035843351 /nfs/dbraw/zinc/84/33/51/1035843351.db2.gz ZAGUOWQWJZQMMX-QGZVFWFLSA-N 1 2 348.450 3.817 20 0 EHADLO C[C@H](CCC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000159077977 1035855698 /nfs/dbraw/zinc/85/56/98/1035855698.db2.gz NDNPHEIUIRRMOH-QGZVFWFLSA-N 1 2 325.456 3.974 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+]C3CC4(C3)CCCCC4)[nH]2)cc1 ZINC000571990660 1035863276 /nfs/dbraw/zinc/86/32/76/1035863276.db2.gz IBZHEGUUNZRVDA-UHFFFAOYSA-N 1 2 326.444 3.586 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)no1 ZINC000541022987 1035908512 /nfs/dbraw/zinc/90/85/12/1035908512.db2.gz KDBBABZADXIWEP-MGPUTAFESA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)no1 ZINC000541022987 1035908527 /nfs/dbraw/zinc/90/85/27/1035908527.db2.gz KDBBABZADXIWEP-MGPUTAFESA-N 1 2 325.456 3.981 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000535060931 1035942075 /nfs/dbraw/zinc/94/20/75/1035942075.db2.gz HUKGJTSDNHVVHE-CQSZACIVSA-N 1 2 331.847 3.869 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(OC[C@@H]2CCCO2)c1 ZINC000535064318 1035948315 /nfs/dbraw/zinc/94/83/15/1035948315.db2.gz JOFSMAXMLINWGA-ZBFHGGJFSA-N 1 2 332.469 3.860 20 0 EHADLO CCCCn1c(SCCc2ccccn2)nnc1[C@H](CC)[NH+](C)C ZINC000588706464 1035979496 /nfs/dbraw/zinc/97/94/96/1035979496.db2.gz DDGSOYGPEFSQAX-INIZCTEOSA-N 1 2 347.532 3.821 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)oc21 ZINC000189132698 1036021380 /nfs/dbraw/zinc/02/13/80/1036021380.db2.gz QNZDIDHNCSORMR-VXGBXAGGSA-N 1 2 341.415 3.565 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)oc21 ZINC000189132718 1036021830 /nfs/dbraw/zinc/02/18/30/1036021830.db2.gz QNZDIDHNCSORMR-NWDGAFQWSA-N 1 2 341.415 3.565 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000572208126 1036039982 /nfs/dbraw/zinc/03/99/82/1036039982.db2.gz RPLJLWMOHWRJGK-QWHCGFSZSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000572208126 1036040002 /nfs/dbraw/zinc/04/00/02/1036040002.db2.gz RPLJLWMOHWRJGK-QWHCGFSZSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2nccn21 ZINC000572211169 1036043007 /nfs/dbraw/zinc/04/30/07/1036043007.db2.gz OPRSNRCEUIAHNL-YJBOKZPZSA-N 1 2 334.423 3.653 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000613486015 1036049853 /nfs/dbraw/zinc/04/98/53/1036049853.db2.gz LAEAEPYBRDCEIR-CQSZACIVSA-N 1 2 348.849 3.831 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000613486015 1036049865 /nfs/dbraw/zinc/04/98/65/1036049865.db2.gz LAEAEPYBRDCEIR-CQSZACIVSA-N 1 2 348.849 3.831 20 0 EHADLO COc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000613486028 1036050139 /nfs/dbraw/zinc/05/01/39/1036050139.db2.gz LQJUTZZAMNNHQD-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000613486028 1036050160 /nfs/dbraw/zinc/05/01/60/1036050160.db2.gz LQJUTZZAMNNHQD-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164288 1036052817 /nfs/dbraw/zinc/05/28/17/1036052817.db2.gz QGUXDPQQWSMOOQ-RDJZCZTQSA-N 1 2 342.405 3.792 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164288 1036052835 /nfs/dbraw/zinc/05/28/35/1036052835.db2.gz QGUXDPQQWSMOOQ-RDJZCZTQSA-N 1 2 342.405 3.792 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000414206961 1036067128 /nfs/dbraw/zinc/06/71/28/1036067128.db2.gz GGCOKCFHBJRBHL-NSHDSACASA-N 1 2 326.625 3.534 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000572506456 1036120153 /nfs/dbraw/zinc/12/01/53/1036120153.db2.gz UDUIQMZRANVGBA-BRWVUGGUSA-N 1 2 340.471 3.507 20 0 EHADLO O=S(=O)(/C=C/c1ccc(F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178191022 1036128849 /nfs/dbraw/zinc/12/88/49/1036128849.db2.gz FDTHHKAJZOXSNS-FMIVXFBMSA-N 1 2 343.383 3.628 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000170774790 1036216587 /nfs/dbraw/zinc/21/65/87/1036216587.db2.gz ZIDXBOOZBJRNBL-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000170774790 1036216604 /nfs/dbraw/zinc/21/66/04/1036216604.db2.gz ZIDXBOOZBJRNBL-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCc3cccc(F)c3F)CCO2)c1 ZINC000541348771 1036223748 /nfs/dbraw/zinc/22/37/48/1036223748.db2.gz HJSUZZIVCKWTTI-GOSISDBHSA-N 1 2 333.378 3.589 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCc3cccc(F)c3F)CCO2)c1 ZINC000541348771 1036223764 /nfs/dbraw/zinc/22/37/64/1036223764.db2.gz HJSUZZIVCKWTTI-GOSISDBHSA-N 1 2 333.378 3.589 20 0 EHADLO O=C(/C=C\c1cccc(-c2ccccc2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492723714 1036233081 /nfs/dbraw/zinc/23/30/81/1036233081.db2.gz XQVBJFPCGURVSS-QJRAZLAKSA-N 1 2 343.430 3.695 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCC1 ZINC000457554235 1036250964 /nfs/dbraw/zinc/25/09/64/1036250964.db2.gz JWNITRJEZZWCJW-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)o1 ZINC000589197370 1036302358 /nfs/dbraw/zinc/30/23/58/1036302358.db2.gz PPVZMRNNKOZZFL-UHFFFAOYSA-N 1 2 342.420 3.870 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(C(C)(C)C)cc1 ZINC000414262853 1036344524 /nfs/dbraw/zinc/34/45/24/1036344524.db2.gz DFSYUCJBGVYHBH-GOSISDBHSA-N 1 2 337.471 3.909 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000457647987 1036348658 /nfs/dbraw/zinc/34/86/58/1036348658.db2.gz JRHHLCHERUUZHG-UHFFFAOYSA-N 1 2 333.863 3.654 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)C ZINC000191337284 1036369891 /nfs/dbraw/zinc/36/98/91/1036369891.db2.gz YVDLLRUVOAPFEK-XJKSGUPXSA-N 1 2 330.480 3.673 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cnn1C(C)C ZINC000191380593 1036373478 /nfs/dbraw/zinc/37/34/78/1036373478.db2.gz DEKYMOCWBMDPAG-CABCVRRESA-N 1 2 338.459 3.765 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Br)ccc1Cl ZINC000589364734 1036377236 /nfs/dbraw/zinc/37/72/36/1036377236.db2.gz UAPDTGUNAUPTEV-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO CC(C)NC(=O)C[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626111903 1036387453 /nfs/dbraw/zinc/38/74/53/1036387453.db2.gz FVWYTBSWYFDZMO-UHFFFAOYSA-N 1 2 341.480 3.756 20 0 EHADLO CC(C)NC(=O)C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626111903 1036387472 /nfs/dbraw/zinc/38/74/72/1036387472.db2.gz FVWYTBSWYFDZMO-UHFFFAOYSA-N 1 2 341.480 3.756 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000191571077 1036415221 /nfs/dbraw/zinc/41/52/21/1036415221.db2.gz NCAQDOUFOOOSRJ-NSHDSACASA-N 1 2 343.406 3.747 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)ccc1C ZINC000541546818 1036426881 /nfs/dbraw/zinc/42/68/81/1036426881.db2.gz UYXPAXAXAPWINY-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO c1cn2cc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2s1 ZINC000064344776 1036460624 /nfs/dbraw/zinc/46/06/24/1036460624.db2.gz JTIWUYHFTGCDTO-HNNXBMFYSA-N 1 2 341.436 3.504 20 0 EHADLO c1cn2cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2s1 ZINC000064344776 1036460631 /nfs/dbraw/zinc/46/06/31/1036460631.db2.gz JTIWUYHFTGCDTO-HNNXBMFYSA-N 1 2 341.436 3.504 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000192292592 1036492602 /nfs/dbraw/zinc/49/26/02/1036492602.db2.gz NOIYIJJJZRGJPE-UHFFFAOYSA-N 1 2 346.862 3.789 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(COCCOC)cc2)cs1 ZINC000572801892 1036501464 /nfs/dbraw/zinc/50/14/64/1036501464.db2.gz FVOMVWYBSHOKCM-UHFFFAOYSA-N 1 2 334.485 3.501 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(COCCOC)cc2)cs1 ZINC000572801892 1036501476 /nfs/dbraw/zinc/50/14/76/1036501476.db2.gz FVOMVWYBSHOKCM-UHFFFAOYSA-N 1 2 334.485 3.501 20 0 EHADLO CC[C@@H](C)[C@@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175885390 1036510138 /nfs/dbraw/zinc/51/01/38/1036510138.db2.gz IIKLQLBXJLPJJH-IAGOWNOFSA-N 1 2 346.519 3.764 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000192513082 1036523693 /nfs/dbraw/zinc/52/36/93/1036523693.db2.gz OJFBWYZFFXRWSX-FQEVSTJZSA-N 1 2 331.419 3.517 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000192513082 1036523703 /nfs/dbraw/zinc/52/37/03/1036523703.db2.gz OJFBWYZFFXRWSX-FQEVSTJZSA-N 1 2 331.419 3.517 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cnc(Cl)c(Br)c1 ZINC000232774351 1036630336 /nfs/dbraw/zinc/63/03/36/1036630336.db2.gz WYYNVHZBPYZUGA-UHFFFAOYSA-N 1 2 329.629 3.887 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000589941806 1036686746 /nfs/dbraw/zinc/68/67/46/1036686746.db2.gz JWIPUFHSINKDBC-MRXNPFEDSA-N 1 2 342.508 3.758 20 0 EHADLO COc1cccc2c(N[C@@H]3CCCn4nc(C(C)C)nc43)cc[nH+]c12 ZINC000193486941 1036690333 /nfs/dbraw/zinc/69/03/33/1036690333.db2.gz OUBXYUXJRULTGU-OAHLLOKOSA-N 1 2 337.427 3.905 20 0 EHADLO COc1ccc([C@@H](CCO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000535592629 1036696351 /nfs/dbraw/zinc/69/63/51/1036696351.db2.gz GEUQWIGQAUVZRO-QGZVFWFLSA-N 1 2 343.471 3.690 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742688 1036714028 /nfs/dbraw/zinc/71/40/28/1036714028.db2.gz XNRAQJKULDUXPE-UGSOOPFHSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000464742688 1036714037 /nfs/dbraw/zinc/71/40/37/1036714037.db2.gz XNRAQJKULDUXPE-UGSOOPFHSA-N 1 2 330.378 3.986 20 0 EHADLO C/C=C/C=C\C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000493124076 1036737836 /nfs/dbraw/zinc/73/78/36/1036737836.db2.gz NXZQMGNNDAVNSN-HOJFPOIOSA-N 1 2 329.831 3.698 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2ccsc2)no1 ZINC000302809994 1036749343 /nfs/dbraw/zinc/74/93/43/1036749343.db2.gz VCHFMNWVJYAUSS-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2ccsc2)no1 ZINC000302809994 1036749364 /nfs/dbraw/zinc/74/93/64/1036749364.db2.gz VCHFMNWVJYAUSS-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO COC[C@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccc(C)o1 ZINC000539526112 1036862795 /nfs/dbraw/zinc/86/27/95/1036862795.db2.gz OKLCNCQPYUIPSX-KRWDZBQOSA-N 1 2 326.396 3.622 20 0 EHADLO Cn1nc2c(c1C[NH2+]C1(c3c(F)cccc3F)CCC1)CCCC2 ZINC000631184600 1036883405 /nfs/dbraw/zinc/88/34/05/1036883405.db2.gz CEAFHOQHYZSTTH-UHFFFAOYSA-N 1 2 331.410 3.746 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)ccn12 ZINC000572972920 1036912446 /nfs/dbraw/zinc/91/24/46/1036912446.db2.gz HJTKFSBETUMXBR-GOSISDBHSA-N 1 2 347.418 3.520 20 0 EHADLO O=C(/C=C\c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493213016 1036913161 /nfs/dbraw/zinc/91/31/61/1036913161.db2.gz CQMSDPAGURWICD-JYBLJSLWSA-N 1 2 335.451 3.639 20 0 EHADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177773611 1036931167 /nfs/dbraw/zinc/93/11/67/1036931167.db2.gz LQVICWVJULSNFM-CQSZACIVSA-N 1 2 348.406 3.983 20 0 EHADLO C[N@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177789855 1036933778 /nfs/dbraw/zinc/93/37/78/1036933778.db2.gz JNMNYNUQQSHTPA-IBGZPJMESA-N 1 2 348.450 3.837 20 0 EHADLO C[N@@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177789855 1036933793 /nfs/dbraw/zinc/93/37/93/1036933793.db2.gz JNMNYNUQQSHTPA-IBGZPJMESA-N 1 2 348.450 3.837 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([S@@](C)=O)cc1 ZINC000090228965 1036961106 /nfs/dbraw/zinc/96/11/06/1036961106.db2.gz VJNQSKIUMIZYBW-WBNWAKSLSA-N 1 2 345.361 3.831 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000542000180 1036963602 /nfs/dbraw/zinc/96/36/02/1036963602.db2.gz IWIGZFGYTPWZPL-SNVBAGLBSA-N 1 2 349.315 3.781 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000542000180 1036963614 /nfs/dbraw/zinc/96/36/14/1036963614.db2.gz IWIGZFGYTPWZPL-SNVBAGLBSA-N 1 2 349.315 3.781 20 0 EHADLO COc1cccc2cc(C(=O)N3CC[N@H+](C)Cc4ccccc43)oc21 ZINC000103410977 1036978546 /nfs/dbraw/zinc/97/85/46/1036978546.db2.gz UJWRVHOBTBPCNX-UHFFFAOYSA-N 1 2 336.391 3.534 20 0 EHADLO COc1cccc2cc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)oc21 ZINC000103410977 1036978559 /nfs/dbraw/zinc/97/85/59/1036978559.db2.gz UJWRVHOBTBPCNX-UHFFFAOYSA-N 1 2 336.391 3.534 20 0 EHADLO C[NH+](C)c1ccc(NCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000057611220 1037003385 /nfs/dbraw/zinc/00/33/85/1037003385.db2.gz SMNCQRIAILOYSS-UHFFFAOYSA-N 1 2 349.228 3.856 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590725790 1037008683 /nfs/dbraw/zinc/00/86/83/1037008683.db2.gz WETNNOBJAWBPRW-SFHVURJKSA-N 1 2 341.455 3.604 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590726996 1037009200 /nfs/dbraw/zinc/00/92/00/1037009200.db2.gz HLSRKPJYUQOYMS-HNNXBMFYSA-N 1 2 347.846 3.559 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000178354818 1037027731 /nfs/dbraw/zinc/02/77/31/1037027731.db2.gz PRCMMZVYEGMWKR-PMACEKPBSA-N 1 2 341.414 3.907 20 0 EHADLO CCOc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1O ZINC000923997462 1037035446 /nfs/dbraw/zinc/03/54/46/1037035446.db2.gz LTUPAWMIJMQXFT-CQSZACIVSA-N 1 2 342.399 3.673 20 0 EHADLO CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCCC1 ZINC000464978865 1037044960 /nfs/dbraw/zinc/04/49/60/1037044960.db2.gz CWGVEPRCUZLBMN-KRWDZBQOSA-N 1 2 344.499 3.871 20 0 EHADLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)c1ccc(-c2ccccc2)cc1 ZINC000178566839 1037061851 /nfs/dbraw/zinc/06/18/51/1037061851.db2.gz MSFLWAYLYPOHJM-UHFFFAOYSA-N 1 2 333.435 3.713 20 0 EHADLO C[N@H+](CCC(F)(F)F)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000104678235 1037063541 /nfs/dbraw/zinc/06/35/41/1037063541.db2.gz DFSHALKPTVLKEJ-HNNXBMFYSA-N 1 2 328.378 3.624 20 0 EHADLO C[N@@H+](CCC(F)(F)F)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000104678235 1037063559 /nfs/dbraw/zinc/06/35/59/1037063559.db2.gz DFSHALKPTVLKEJ-HNNXBMFYSA-N 1 2 328.378 3.624 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]Cc3ccc(C)cn3)cs2)cc1 ZINC000134380530 1037071063 /nfs/dbraw/zinc/07/10/63/1037071063.db2.gz DYCHWTNEWAYYAM-UHFFFAOYSA-N 1 2 325.437 3.812 20 0 EHADLO Cc1nc2sc3c(c2c(N2CCC[C@H](n4cc[nH+]c4)C2)n1)CCC3 ZINC000590770610 1037073118 /nfs/dbraw/zinc/07/31/18/1037073118.db2.gz ZNKQSCDZLMMSNF-ZDUSSCGKSA-N 1 2 339.468 3.526 20 0 EHADLO Cc1ccoc1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456722 1037073395 /nfs/dbraw/zinc/07/33/95/1037073395.db2.gz UGGHNNTXTBAQIR-UHFFFAOYSA-N 1 2 335.407 3.969 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677537 1037082393 /nfs/dbraw/zinc/08/23/93/1037082393.db2.gz KJRPGEYSGLLMBI-NEPJUHHUSA-N 1 2 342.361 3.883 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000104677537 1037082412 /nfs/dbraw/zinc/08/24/12/1037082412.db2.gz KJRPGEYSGLLMBI-NEPJUHHUSA-N 1 2 342.361 3.883 20 0 EHADLO CCCC[C@H](NCc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000462526526 1037084474 /nfs/dbraw/zinc/08/44/74/1037084474.db2.gz MENNRPCHTYQSKW-INIZCTEOSA-N 1 2 349.500 3.924 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178777150 1037096740 /nfs/dbraw/zinc/09/67/40/1037096740.db2.gz MWHUKXWAAQVJKC-OAHLLOKOSA-N 1 2 345.462 3.990 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2csc(CC(=O)N(C)C)n2)c1 ZINC000104948916 1037130964 /nfs/dbraw/zinc/13/09/64/1037130964.db2.gz JVAQYTQYAJCGGI-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2csc(CC(=O)N(C)C)n2)c1 ZINC000104948916 1037130971 /nfs/dbraw/zinc/13/09/71/1037130971.db2.gz JVAQYTQYAJCGGI-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO CCc1nc(N2CCOC[C@H]2c2nc3ccccc3s2)cc(C)[nH+]1 ZINC000376479090 1037131822 /nfs/dbraw/zinc/13/18/22/1037131822.db2.gz JQKLCKCCZMEEGL-AWEZNQCLSA-N 1 2 340.452 3.535 20 0 EHADLO FC1(F)CC(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)C1 ZINC000351177499 1037139961 /nfs/dbraw/zinc/13/99/61/1037139961.db2.gz DRJPXSGUKDXOSZ-UHFFFAOYSA-N 1 2 330.338 3.569 20 0 EHADLO Fc1ccc(F)c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1Cl ZINC000623595131 1037148216 /nfs/dbraw/zinc/14/82/16/1037148216.db2.gz YJUVQCLCUKLAOH-NSHDSACASA-N 1 2 339.695 3.708 20 0 EHADLO CN(c1cc[nH+]c2cc(F)c(Br)cc21)C1CCOCC1 ZINC000573071295 1037152089 /nfs/dbraw/zinc/15/20/89/1037152089.db2.gz LOODDYHPHZMIMN-UHFFFAOYSA-N 1 2 339.208 3.752 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000666514025 1037175633 /nfs/dbraw/zinc/17/56/33/1037175633.db2.gz URYUFUMFURTYCV-INMHGKMJSA-N 1 2 329.419 3.566 20 0 EHADLO O=C(Cc1cccc(F)c1F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000087217977 1037232420 /nfs/dbraw/zinc/23/24/20/1037232420.db2.gz VMFKNQYKYDULCD-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000176906030 1037245098 /nfs/dbraw/zinc/24/50/98/1037245098.db2.gz RGGPVZALLDURBI-UHFFFAOYSA-N 1 2 341.361 3.816 20 0 EHADLO Cc1cccc(NC(=O)C[C@@H](C)Nc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000549085086 1037247351 /nfs/dbraw/zinc/24/73/51/1037247351.db2.gz FKZADEWMFZBCBF-MRXNPFEDSA-N 1 2 338.455 3.819 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)s1 ZINC000539827027 1037251971 /nfs/dbraw/zinc/25/19/71/1037251971.db2.gz SABJEIOOORJHPI-GOSISDBHSA-N 1 2 345.512 3.871 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)s1 ZINC000539827027 1037251989 /nfs/dbraw/zinc/25/19/89/1037251989.db2.gz SABJEIOOORJHPI-GOSISDBHSA-N 1 2 345.512 3.871 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCO1 ZINC000539836857 1037265985 /nfs/dbraw/zinc/26/59/85/1037265985.db2.gz KGAOGEMFNFZBPF-IBGZPJMESA-N 1 2 349.377 3.604 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCO1 ZINC000539836857 1037265994 /nfs/dbraw/zinc/26/59/94/1037265994.db2.gz KGAOGEMFNFZBPF-IBGZPJMESA-N 1 2 349.377 3.604 20 0 EHADLO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000104341609 1037266001 /nfs/dbraw/zinc/26/60/01/1037266001.db2.gz LIVSGFPWRYIYPI-RBUKOAKNSA-N 1 2 325.456 3.848 20 0 EHADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000104341603 1037266117 /nfs/dbraw/zinc/26/61/17/1037266117.db2.gz LIVSGFPWRYIYPI-OALUTQOASA-N 1 2 325.456 3.848 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(-c3ccc(F)cc3)o2)c(C)[nH+]1 ZINC000187232506 1037279901 /nfs/dbraw/zinc/27/99/01/1037279901.db2.gz PMCFJKNCBCSODW-XMMPIXPASA-N 1 2 344.411 3.941 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591245624 1037285950 /nfs/dbraw/zinc/28/59/50/1037285950.db2.gz NEGGMRGWWQZUCI-SFHVURJKSA-N 1 2 331.847 3.974 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(S(C)(=O)=O)s2)C[C@H]1c1ccccc1 ZINC000414393463 1037303102 /nfs/dbraw/zinc/30/31/02/1037303102.db2.gz DMBLUBALQSYNGC-INIZCTEOSA-N 1 2 349.521 3.777 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C[C@H]1c1ccccc1 ZINC000414393463 1037303113 /nfs/dbraw/zinc/30/31/13/1037303113.db2.gz DMBLUBALQSYNGC-INIZCTEOSA-N 1 2 349.521 3.777 20 0 EHADLO Cc1nc2c(s1)[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)CCC2 ZINC000532453522 1037325503 /nfs/dbraw/zinc/32/55/03/1037325503.db2.gz XSTKMVUEAMTDPG-SJORKVTESA-N 1 2 338.480 3.942 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000580700851 1037333585 /nfs/dbraw/zinc/33/35/85/1037333585.db2.gz DSWKKLSJTXZYRC-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000580700851 1037333597 /nfs/dbraw/zinc/33/35/97/1037333597.db2.gz DSWKKLSJTXZYRC-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378751 1037380032 /nfs/dbraw/zinc/38/00/32/1037380032.db2.gz GPZOTDUIXAPMCD-GOSISDBHSA-N 1 2 348.368 3.510 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000493486800 1037407332 /nfs/dbraw/zinc/40/73/32/1037407332.db2.gz RQCSPDYEIUVHBX-PLNGDYQASA-N 1 2 333.794 3.564 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573327632 1037467250 /nfs/dbraw/zinc/46/72/50/1037467250.db2.gz QQLPVJVDUYFQLS-RLLQIKCJSA-N 1 2 337.467 3.630 20 0 EHADLO c1cnn(Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)c1 ZINC000187722552 1037480431 /nfs/dbraw/zinc/48/04/31/1037480431.db2.gz NOEFZXOMFUWFRX-HXUWFJFHSA-N 1 2 343.434 3.534 20 0 EHADLO CC(C)Oc1cccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000491478069 1037497686 /nfs/dbraw/zinc/49/76/86/1037497686.db2.gz JLDRBQOHALDYJU-VOTSOKGWSA-N 1 2 339.439 3.616 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3C[C@H]3Cc3ccccc3)c12 ZINC000462883304 1037512673 /nfs/dbraw/zinc/51/26/73/1037512673.db2.gz JSFDXTSWVZZXMT-APWZRJJASA-N 1 2 341.418 3.859 20 0 EHADLO CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000591585934 1037520422 /nfs/dbraw/zinc/52/04/22/1037520422.db2.gz CEPHIMKSGSJVBL-QGZVFWFLSA-N 1 2 332.492 3.932 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000007648044 1037520976 /nfs/dbraw/zinc/52/09/76/1037520976.db2.gz UUDKXLQWVIDSOA-IERDGZPVSA-N 1 2 346.430 3.936 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000493642301 1037527856 /nfs/dbraw/zinc/52/78/56/1037527856.db2.gz LDVFRAZPJGHSGV-FYCOFBDGSA-N 1 2 335.329 3.709 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000491518289 1037534568 /nfs/dbraw/zinc/53/45/68/1037534568.db2.gz BJGZAWDGCDWNNV-NHHWLVAYSA-N 1 2 344.418 3.644 20 0 EHADLO Cc1ccccc1/C=C\C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000493697176 1037550683 /nfs/dbraw/zinc/55/06/83/1037550683.db2.gz YMKLDMSYYWZBAJ-KTKRTIGZSA-N 1 2 349.478 3.947 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000493698047 1037551885 /nfs/dbraw/zinc/55/18/85/1037551885.db2.gz ZSRCHURBEABLGN-VOTSOKGWSA-N 1 2 337.345 3.536 20 0 EHADLO c1cc(C[NH2+]Cc2cc(-c3ccccc3)on2)n(-c2ccccc2)n1 ZINC000491582902 1037560656 /nfs/dbraw/zinc/56/06/56/1037560656.db2.gz DAUFQVDICHFGBE-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573577764 1037618505 /nfs/dbraw/zinc/61/85/05/1037618505.db2.gz XQRAEZNXZGPEHJ-XPKDYRNWSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573577764 1037618510 /nfs/dbraw/zinc/61/85/10/1037618510.db2.gz XQRAEZNXZGPEHJ-XPKDYRNWSA-N 1 2 331.847 3.694 20 0 EHADLO CC(C)c1ncc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)s1 ZINC000913710561 1037653715 /nfs/dbraw/zinc/65/37/15/1037653715.db2.gz AJDAQBDMGOKPCM-UHFFFAOYSA-N 1 2 340.452 3.560 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463027340 1037657790 /nfs/dbraw/zinc/65/77/90/1037657790.db2.gz DCPORFBBDQHWIZ-RBUKOAKNSA-N 1 2 332.488 3.836 20 0 EHADLO Cc1cc(C)cc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000666640495 1037714710 /nfs/dbraw/zinc/71/47/10/1037714710.db2.gz KXPAYFLGZQGRSK-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573733422 1037737979 /nfs/dbraw/zinc/73/79/79/1037737979.db2.gz MEXDFXCFZCUIFX-AZUAARDMSA-N 1 2 339.483 3.949 20 0 EHADLO O=C(CSc1ccc(F)c(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029915537 1037739652 /nfs/dbraw/zinc/73/96/52/1037739652.db2.gz YIJODQGLEZUQBS-UHFFFAOYSA-N 1 2 345.374 3.881 20 0 EHADLO Cc1cc(N)nc(SCc2ccccc2OCC(F)(F)F)[nH+]1 ZINC000172910087 1037744547 /nfs/dbraw/zinc/74/45/47/1037744547.db2.gz CENGIKGACZDZFJ-UHFFFAOYSA-N 1 2 329.347 3.601 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nncs2)cc1 ZINC000053090679 1037791810 /nfs/dbraw/zinc/79/18/10/1037791810.db2.gz OMVVRGGRZAIBIE-OAHLLOKOSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nncs2)cc1 ZINC000053090679 1037791828 /nfs/dbraw/zinc/79/18/28/1037791828.db2.gz OMVVRGGRZAIBIE-OAHLLOKOSA-N 1 2 344.484 3.611 20 0 EHADLO C[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCCO1 ZINC000573897395 1037794681 /nfs/dbraw/zinc/79/46/81/1037794681.db2.gz GZEJSMMPWVTWGU-HXUWFJFHSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000378060573 1037798065 /nfs/dbraw/zinc/79/80/65/1037798065.db2.gz PQWSKIGOVGYZFD-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000378060573 1037798083 /nfs/dbraw/zinc/79/80/83/1037798083.db2.gz PQWSKIGOVGYZFD-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096488 1037817594 /nfs/dbraw/zinc/81/75/94/1037817594.db2.gz MAUHUZBSOBOSKM-FUHWJXTLSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096488 1037817613 /nfs/dbraw/zinc/81/76/13/1037817613.db2.gz MAUHUZBSOBOSKM-FUHWJXTLSA-N 1 2 336.426 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000128402693 1037834725 /nfs/dbraw/zinc/83/47/25/1037834725.db2.gz SMARSYYNAQBQLB-NSHDSACASA-N 1 2 338.860 3.869 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000128402693 1037834743 /nfs/dbraw/zinc/83/47/43/1037834743.db2.gz SMARSYYNAQBQLB-NSHDSACASA-N 1 2 338.860 3.869 20 0 EHADLO CCc1cnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000540343650 1037848000 /nfs/dbraw/zinc/84/80/00/1037848000.db2.gz BADBEANILBQKRB-UHFFFAOYSA-N 1 2 328.412 3.567 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081033 1037856855 /nfs/dbraw/zinc/85/68/55/1037856855.db2.gz WGRQNFFUTNBCBB-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081033 1037856870 /nfs/dbraw/zinc/85/68/70/1037856870.db2.gz WGRQNFFUTNBCBB-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1Cl ZINC000494154998 1037872447 /nfs/dbraw/zinc/87/24/47/1037872447.db2.gz VSKLGMLJAHEUNF-UHFFFAOYSA-N 1 2 345.874 3.844 20 0 EHADLO Cc1nc2sc3c(c2c(NCCCCn2cc[nH+]c2)n1)CCCC3 ZINC000540391589 1037885357 /nfs/dbraw/zinc/88/53/57/1037885357.db2.gz YPMHJYMXLWFJMB-UHFFFAOYSA-N 1 2 341.484 3.967 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000119687379 1037909411 /nfs/dbraw/zinc/90/94/11/1037909411.db2.gz SYKGMTZRSIDHDE-KZNAEPCWSA-N 1 2 341.499 3.773 20 0 EHADLO c1cn(-c2ccc(CNc3cnn(Cc4ccccc4)c3)cc2)c[nH+]1 ZINC000119850490 1037910946 /nfs/dbraw/zinc/91/09/46/1037910946.db2.gz QZEJBWLPHQVZTD-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000506482505 1037931565 /nfs/dbraw/zinc/93/15/65/1037931565.db2.gz TVWPRDIKJDGXJT-VKAVYKQESA-N 1 2 338.426 3.687 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(SC)c(OC)c1 ZINC000463250340 1037938525 /nfs/dbraw/zinc/93/85/25/1037938525.db2.gz LAHLRAIFYRIUMC-UHFFFAOYSA-N 1 2 345.443 3.960 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000540460656 1037962898 /nfs/dbraw/zinc/96/28/98/1037962898.db2.gz NUQYICVUIKGXRS-CQSZACIVSA-N 1 2 336.451 3.572 20 0 EHADLO Cc1nc(C[NH2+]C2(C(N)=O)CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000121687089 1037968287 /nfs/dbraw/zinc/96/82/87/1037968287.db2.gz XVCWIHQTYNEKRP-UHFFFAOYSA-N 1 2 347.846 3.581 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574015132 1037975067 /nfs/dbraw/zinc/97/50/67/1037975067.db2.gz HZNUPFVJLLTMSO-IXDOHACOSA-N 1 2 332.492 3.526 20 0 EHADLO c1sc([C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1[C@@H]1CCCOC1 ZINC000183880761 1037978832 /nfs/dbraw/zinc/97/88/32/1037978832.db2.gz VEHQLXAYULTCKD-SJLPKXTDSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1[C@@H]1CCCOC1 ZINC000183880761 1037978842 /nfs/dbraw/zinc/97/88/42/1037978842.db2.gz VEHQLXAYULTCKD-SJLPKXTDSA-N 1 2 344.480 3.611 20 0 EHADLO N[C@@]1(C(F)(F)F)CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001206222875 1132288972 /nfs/dbraw/zinc/28/89/72/1132288972.db2.gz QREWKCCZWIFMSZ-LBPRGKRZSA-N 1 2 327.177 3.501 20 0 EHADLO CSCc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000123907798 1038103329 /nfs/dbraw/zinc/10/33/29/1038103329.db2.gz VVPNTUIUDHPIJE-CXAGYDPISA-N 1 2 347.459 3.609 20 0 EHADLO O=C(N[C@@H]1CCCc2sccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274322651 1038242663 /nfs/dbraw/zinc/24/26/63/1038242663.db2.gz KSXWRRAUBJKJDZ-QGZVFWFLSA-N 1 2 337.448 3.800 20 0 EHADLO CCC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000454212046 1038279202 /nfs/dbraw/zinc/27/92/02/1038279202.db2.gz DVUWUPQOMZDRSG-GOSISDBHSA-N 1 2 342.487 3.945 20 0 EHADLO Cc1nc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000659918087 1038301912 /nfs/dbraw/zinc/30/19/12/1038301912.db2.gz ZIPDHXLOEZMBIZ-UHFFFAOYSA-N 1 2 343.254 3.983 20 0 EHADLO Cc1nc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000659918087 1038301927 /nfs/dbraw/zinc/30/19/27/1038301927.db2.gz ZIPDHXLOEZMBIZ-UHFFFAOYSA-N 1 2 343.254 3.983 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)ccc2[nH+]1 ZINC000339117727 1038340559 /nfs/dbraw/zinc/34/05/59/1038340559.db2.gz HFELVUQMEZVVNJ-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO CC1(C)C[C@H](c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)CCO1 ZINC000351197103 1038341463 /nfs/dbraw/zinc/34/14/63/1038341463.db2.gz VIRILAXBETVVIJ-MRXNPFEDSA-N 1 2 338.411 3.654 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCCC2 ZINC000538509361 1038349919 /nfs/dbraw/zinc/34/99/19/1038349919.db2.gz OYGYDFGNPQLPSW-PMACEKPBSA-N 1 2 344.499 3.981 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000667105932 1038379955 /nfs/dbraw/zinc/37/99/55/1038379955.db2.gz GWOPYWGUGPHVNE-UWJYYQICSA-N 1 2 345.446 3.962 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H](C)c1ccccc1 ZINC000538569628 1038396866 /nfs/dbraw/zinc/39/68/66/1038396866.db2.gz GIDYNNUJADWLNN-OAHLLOKOSA-N 1 2 337.423 3.689 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H](C)c1ccccc1 ZINC000538569628 1038396880 /nfs/dbraw/zinc/39/68/80/1038396880.db2.gz GIDYNNUJADWLNN-OAHLLOKOSA-N 1 2 337.423 3.689 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ccccc1OCCOC ZINC000538609180 1038433309 /nfs/dbraw/zinc/43/33/09/1038433309.db2.gz SZBABKFKHRGZFP-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ccc(OCCOC)cc1 ZINC000538608096 1038433827 /nfs/dbraw/zinc/43/38/27/1038433827.db2.gz AURCWRSEADBOEH-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659941646 1038436438 /nfs/dbraw/zinc/43/64/38/1038436438.db2.gz AYABRMXUGDYBNA-NSHDSACASA-N 1 2 330.375 3.840 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659941646 1038436445 /nfs/dbraw/zinc/43/64/45/1038436445.db2.gz AYABRMXUGDYBNA-NSHDSACASA-N 1 2 330.375 3.840 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c(C)[nH+]1 ZINC000667119195 1038457277 /nfs/dbraw/zinc/45/72/77/1038457277.db2.gz LNRRIEOSFIIGDJ-ROUUACIJSA-N 1 2 339.439 3.701 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(C(F)(F)F)CCCCC1 ZINC000667158308 1038576531 /nfs/dbraw/zinc/57/65/31/1038576531.db2.gz UXWBZXDUZLWKDG-UHFFFAOYSA-N 1 2 340.389 3.631 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956957 1038614808 /nfs/dbraw/zinc/61/48/08/1038614808.db2.gz FJGLAJCDMNHQCZ-OLZOCXBDSA-N 1 2 339.277 3.959 20 0 EHADLO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000538956957 1038614814 /nfs/dbraw/zinc/61/48/14/1038614814.db2.gz FJGLAJCDMNHQCZ-OLZOCXBDSA-N 1 2 339.277 3.959 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2ccccc2Cl)s1 ZINC000416429019 1038661491 /nfs/dbraw/zinc/66/14/91/1038661491.db2.gz WTKKNYHGFOQHEZ-UHFFFAOYSA-N 1 2 332.860 3.638 20 0 EHADLO CCCc1nsc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000461969654 1038704601 /nfs/dbraw/zinc/70/46/01/1038704601.db2.gz DBBIPXPBPVCGER-UHFFFAOYSA-N 1 2 345.516 3.629 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1c(F)cccc1F ZINC000539233814 1038744738 /nfs/dbraw/zinc/74/47/38/1038744738.db2.gz NSGPUQNRVVDPSB-AWEZNQCLSA-N 1 2 344.405 3.811 20 0 EHADLO CCCCCn1cc(C[NH2+]Cc2ccsc2C(=O)OC)c(C)n1 ZINC000893258681 1038766952 /nfs/dbraw/zinc/76/69/52/1038766952.db2.gz JAMAJWDLCVDGGZ-UHFFFAOYSA-N 1 2 335.473 3.520 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC2(C)C)c(C)c1 ZINC000554019364 1038787629 /nfs/dbraw/zinc/78/76/29/1038787629.db2.gz YOQRAWAVDBNGOU-ZWKOTPCHSA-N 1 2 340.471 3.729 20 0 EHADLO OCC1([C@H]([NH2+]Cc2coc(-c3ccccc3)n2)c2ccncc2)CCC1 ZINC000668817402 1038798760 /nfs/dbraw/zinc/79/87/60/1038798760.db2.gz IHKBNKGUOLDZNE-LJQANCHMSA-N 1 2 349.434 3.730 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000462184099 1038824426 /nfs/dbraw/zinc/82/44/26/1038824426.db2.gz BCTGRTWUENTNQY-QZTJIDSGSA-N 1 2 329.488 3.583 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000462195007 1038851882 /nfs/dbraw/zinc/85/18/82/1038851882.db2.gz YJFDBDDHFVCZON-GDBMZVCRSA-N 1 2 337.533 3.961 20 0 EHADLO COCCc1ncc(CNc2[nH+]c3ccccc3n2CC2CC2)s1 ZINC000905427134 1038889047 /nfs/dbraw/zinc/88/90/47/1038889047.db2.gz SOZXRMYMKJHFDX-UHFFFAOYSA-N 1 2 342.468 3.704 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(F)cc1F ZINC000488143855 1038911188 /nfs/dbraw/zinc/91/11/88/1038911188.db2.gz UVTFGETXWUDERJ-OAHLLOKOSA-N 1 2 344.356 3.698 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC3(C)C)n2)C1 ZINC000554110598 1038914462 /nfs/dbraw/zinc/91/44/62/1038914462.db2.gz NMZGEPIIRQWEID-GXTWGEPZSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC3(C)C)n2)C1 ZINC000554110598 1038914477 /nfs/dbraw/zinc/91/44/77/1038914477.db2.gz NMZGEPIIRQWEID-GXTWGEPZSA-N 1 2 336.505 3.685 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000184779967 1038916507 /nfs/dbraw/zinc/91/65/07/1038916507.db2.gz ABPPFNNNWJHORI-OAHLLOKOSA-N 1 2 339.222 3.735 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2cncc(OCc3ccccc3)c2)n1 ZINC000488173855 1038932965 /nfs/dbraw/zinc/93/29/65/1038932965.db2.gz VVRDDTMDOMQODM-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2cncc(OCc3ccccc3)c2)n1 ZINC000488173855 1038932979 /nfs/dbraw/zinc/93/29/79/1038932979.db2.gz VVRDDTMDOMQODM-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464649 1038940208 /nfs/dbraw/zinc/94/02/08/1038940208.db2.gz IAYSJMTZSSOORL-SFHVURJKSA-N 1 2 331.485 3.583 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464649 1038940220 /nfs/dbraw/zinc/94/02/20/1038940220.db2.gz IAYSJMTZSSOORL-SFHVURJKSA-N 1 2 331.485 3.583 20 0 EHADLO CCO[C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1(CC)CC ZINC000488182119 1038948324 /nfs/dbraw/zinc/94/83/24/1038948324.db2.gz LRLXWUZFEVSJQX-MSOLQXFVSA-N 1 2 341.455 3.586 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000488197517 1038956617 /nfs/dbraw/zinc/95/66/17/1038956617.db2.gz HLRSTWKZHQIBPY-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000488197517 1038956632 /nfs/dbraw/zinc/95/66/32/1038956632.db2.gz HLRSTWKZHQIBPY-JKSUJKDBSA-N 1 2 340.467 3.516 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2ncnn2CC(F)F)c2ccccc2)cc1 ZINC000488202656 1038960599 /nfs/dbraw/zinc/96/05/99/1038960599.db2.gz UANLGMLBPOVPSU-IBGZPJMESA-N 1 2 342.393 3.731 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCCC[C@H]3C)cn2c1 ZINC000512392617 1038970528 /nfs/dbraw/zinc/97/05/28/1038970528.db2.gz WTAJKNXQICKTGB-OAHLLOKOSA-N 1 2 331.485 3.667 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488229805 1038980097 /nfs/dbraw/zinc/98/00/97/1038980097.db2.gz JYOCZBIDVIIMRA-GFCCVEGCSA-N 1 2 328.161 3.535 20 0 EHADLO O[C@]1(C(F)(F)F)CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488229805 1038980108 /nfs/dbraw/zinc/98/01/08/1038980108.db2.gz JYOCZBIDVIIMRA-GFCCVEGCSA-N 1 2 328.161 3.535 20 0 EHADLO CCC(CC)(CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000651404973 1038983305 /nfs/dbraw/zinc/98/33/05/1038983305.db2.gz HCOCGEUVHUAOML-UHFFFAOYSA-N 1 2 339.483 3.636 20 0 EHADLO CC[C@H](c1nnc(SCc2cc[nH+]c(N)c2)o1)c1ccccc1 ZINC000195501061 1038996599 /nfs/dbraw/zinc/99/65/99/1038996599.db2.gz OXFXNQIRCCRJKH-AWEZNQCLSA-N 1 2 326.425 3.881 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931687 1038999369 /nfs/dbraw/zinc/99/93/69/1038999369.db2.gz DJLBRAUMBRJYLJ-BIENJYKASA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931687 1038999384 /nfs/dbraw/zinc/99/93/84/1038999384.db2.gz DJLBRAUMBRJYLJ-BIENJYKASA-N 1 2 346.858 3.657 20 0 EHADLO FC1(F)C[C@@]2(CC[N@H+](Cn3ncc(Cl)c3C3CC3)C2)C1(F)F ZINC000905677968 1039037743 /nfs/dbraw/zinc/03/77/43/1039037743.db2.gz BBQCJQKCRZIWRR-GFCCVEGCSA-N 1 2 337.748 3.738 20 0 EHADLO FC1(F)C[C@@]2(CC[N@@H+](Cn3ncc(Cl)c3C3CC3)C2)C1(F)F ZINC000905677968 1039037761 /nfs/dbraw/zinc/03/77/61/1039037761.db2.gz BBQCJQKCRZIWRR-GFCCVEGCSA-N 1 2 337.748 3.738 20 0 EHADLO CCCN(CC1CCCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000512404399 1039038408 /nfs/dbraw/zinc/03/84/08/1039038408.db2.gz HOLIZMOGPFAIQG-SFHVURJKSA-N 1 2 344.503 3.662 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@@H](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000416809188 1039052600 /nfs/dbraw/zinc/05/26/00/1039052600.db2.gz PYRRKRXBTLIZAD-NCOADZHNSA-N 1 2 345.487 3.588 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000477977462 1039077539 /nfs/dbraw/zinc/07/75/39/1039077539.db2.gz TUHVWAITUDLXDI-LJQANCHMSA-N 1 2 346.434 3.993 20 0 EHADLO CCc1ccsc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229673 1039094623 /nfs/dbraw/zinc/09/46/23/1039094623.db2.gz QHBPISQUNLXBPI-SHTZXODSSA-N 1 2 329.469 3.859 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000488336885 1039098875 /nfs/dbraw/zinc/09/88/75/1039098875.db2.gz RLCUTHLWPWCYAT-UHFFFAOYSA-N 1 2 348.859 3.755 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000010809283 1039130982 /nfs/dbraw/zinc/13/09/82/1039130982.db2.gz HYKGQHUEEDKYJH-UHFFFAOYSA-N 1 2 337.223 3.559 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1nccn1-c1ccccc1 ZINC000905850217 1039158014 /nfs/dbraw/zinc/15/80/14/1039158014.db2.gz GIXFNPNPUIBTMQ-MRXNPFEDSA-N 1 2 332.451 3.997 20 0 EHADLO Cc1nc(NC(C)(C)CC(F)(F)F)c(Br)c(C)[nH+]1 ZINC000663833336 1039171845 /nfs/dbraw/zinc/17/18/45/1039171845.db2.gz GCHXLCPUWMQIOO-UHFFFAOYSA-N 1 2 326.160 3.999 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000488454731 1039201296 /nfs/dbraw/zinc/20/12/96/1039201296.db2.gz ZLBUOTGHQJDTTM-MAUKXSAKSA-N 1 2 346.377 3.893 20 0 EHADLO Cc1ccc(C)c(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000044083148 1039212115 /nfs/dbraw/zinc/21/21/15/1039212115.db2.gz XHHIZIKGRMHVKI-UHFFFAOYSA-N 1 2 340.496 3.654 20 0 EHADLO Cc1cc(CNC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc(C)[nH+]1 ZINC000584584410 1039215285 /nfs/dbraw/zinc/21/52/85/1039215285.db2.gz LVABLFYXOLQFJK-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO Clc1ccccc1-c1cc(CSCC[NH+]2CCOCC2)no1 ZINC000416928416 1039229656 /nfs/dbraw/zinc/22/96/56/1039229656.db2.gz YERNXXQGEQJVCY-UHFFFAOYSA-N 1 2 338.860 3.560 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccco1 ZINC000488521583 1039256603 /nfs/dbraw/zinc/25/66/03/1039256603.db2.gz ANHOPOQTTXUYPD-UHFFFAOYSA-N 1 2 347.415 3.878 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccco1 ZINC000488521583 1039256609 /nfs/dbraw/zinc/25/66/09/1039256609.db2.gz ANHOPOQTTXUYPD-UHFFFAOYSA-N 1 2 347.415 3.878 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](c4ccccc4)C3)[nH+]c12 ZINC000554411307 1039315148 /nfs/dbraw/zinc/31/51/48/1039315148.db2.gz CLJTUIJABXNZMF-GOSISDBHSA-N 1 2 333.435 3.591 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1C ZINC000431917307 1039343416 /nfs/dbraw/zinc/34/34/16/1039343416.db2.gz VPPIHEZDTISMEG-ZYSHUDEJSA-N 1 2 338.451 3.715 20 0 EHADLO COc1ccc2cc(CN(C)C(=O)C[C@H](C)n3cc[nH+]c3)ccc2c1 ZINC000552526393 1039351635 /nfs/dbraw/zinc/35/16/35/1039351635.db2.gz YQZLRABFIDAHSK-HNNXBMFYSA-N 1 2 337.423 3.655 20 0 EHADLO Cc1nc(-c2ccc([C@H](C)NC(=O)CCc3[nH]cc[nH+]3)cc2)cs1 ZINC000554496626 1039403747 /nfs/dbraw/zinc/40/37/47/1039403747.db2.gz WNICTSAGDDCPQU-LBPRGKRZSA-N 1 2 340.452 3.652 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000485687135 1039403748 /nfs/dbraw/zinc/40/37/48/1039403748.db2.gz BNGFPDOPZWVACK-OLUCIUBSSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000485687135 1039403762 /nfs/dbraw/zinc/40/37/62/1039403762.db2.gz BNGFPDOPZWVACK-OLUCIUBSSA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)[N@H+](Cc1cn(C2CC2)nn1)Cc1cccc(Br)c1 ZINC000906261770 1039443827 /nfs/dbraw/zinc/44/38/27/1039443827.db2.gz XMRHMILICFRLJM-UHFFFAOYSA-N 1 2 349.276 3.786 20 0 EHADLO CC(C)[N@@H+](Cc1cn(C2CC2)nn1)Cc1cccc(Br)c1 ZINC000906261770 1039443833 /nfs/dbraw/zinc/44/38/33/1039443833.db2.gz XMRHMILICFRLJM-UHFFFAOYSA-N 1 2 349.276 3.786 20 0 EHADLO Clc1ccccc1OC[C@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906289426 1039453422 /nfs/dbraw/zinc/45/34/22/1039453422.db2.gz GRXJKPRQWXAKQP-AWEZNQCLSA-N 1 2 346.862 3.557 20 0 EHADLO Clc1ccccc1OC[C@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906289426 1039453434 /nfs/dbraw/zinc/45/34/34/1039453434.db2.gz GRXJKPRQWXAKQP-AWEZNQCLSA-N 1 2 346.862 3.557 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc(OC2CCCC2)c1 ZINC000485720400 1039462538 /nfs/dbraw/zinc/46/25/38/1039462538.db2.gz XBBFDSOWAGERRG-OAQYLSRUSA-N 1 2 345.483 3.635 20 0 EHADLO c1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc(OC2CCCC2)c1 ZINC000485720400 1039462550 /nfs/dbraw/zinc/46/25/50/1039462550.db2.gz XBBFDSOWAGERRG-OAQYLSRUSA-N 1 2 345.483 3.635 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000552741473 1039486850 /nfs/dbraw/zinc/48/68/50/1039486850.db2.gz HLMCLOWTTHXEIH-ROUUACIJSA-N 1 2 345.874 3.849 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1nnc2n1CCCC2 ZINC000489003917 1039552460 /nfs/dbraw/zinc/55/24/60/1039552460.db2.gz ALLAUGJBPMOBPR-CQSZACIVSA-N 1 2 338.377 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](c3ccccc3)C(F)F)ccc2[nH+]1 ZINC000432853458 1039554557 /nfs/dbraw/zinc/55/45/57/1039554557.db2.gz OZKQAKULDPILAV-HNNXBMFYSA-N 1 2 330.338 3.771 20 0 EHADLO CO[C@H](C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000419193297 1039576548 /nfs/dbraw/zinc/57/65/48/1039576548.db2.gz UNUADVFCOZHOQY-MOPGFXCFSA-N 1 2 349.434 3.841 20 0 EHADLO O=C(c1nc2ccccc2cc1C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000906470328 1039586220 /nfs/dbraw/zinc/58/62/20/1039586220.db2.gz PDFDSKCTPYBNLW-UHFFFAOYSA-N 1 2 346.434 3.786 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000584710566 1039589392 /nfs/dbraw/zinc/58/93/92/1039589392.db2.gz FWQJWEFHUUKUPY-QZTJIDSGSA-N 1 2 337.467 3.798 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)cc(F)cc2C)n1 ZINC000911963649 1039611878 /nfs/dbraw/zinc/61/18/78/1039611878.db2.gz NCNIGSVAKYBLQO-UHFFFAOYSA-N 1 2 335.448 3.993 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431933717 1039619501 /nfs/dbraw/zinc/61/95/01/1039619501.db2.gz CGENMGZZFOZHPY-UHFFFAOYSA-N 1 2 328.460 3.744 20 0 EHADLO CC1(c2cccc(Cl)c2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000279953918 1039624934 /nfs/dbraw/zinc/62/49/34/1039624934.db2.gz CZZCQVYAEUEUAC-UHFFFAOYSA-N 1 2 331.847 3.507 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000244257575 1039625394 /nfs/dbraw/zinc/62/53/94/1039625394.db2.gz WKSFQYLMJIYSFB-UHFFFAOYSA-N 1 2 344.846 3.706 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000279955222 1039648989 /nfs/dbraw/zinc/64/89/89/1039648989.db2.gz PHTPJCLWWRXUAU-BLLLJJGKSA-N 1 2 344.846 3.532 20 0 EHADLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000898902490 1039678759 /nfs/dbraw/zinc/67/87/59/1039678759.db2.gz PDIHSIYPJQZQHN-LLVKDONJSA-N 1 2 340.254 3.845 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000419206626 1039727213 /nfs/dbraw/zinc/72/72/13/1039727213.db2.gz NGIGWNQHDUQIMY-HXUWFJFHSA-N 1 2 338.426 3.813 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007878261 1039729532 /nfs/dbraw/zinc/72/95/32/1039729532.db2.gz NQPHPYHYKUPAIN-XXWNAHEMSA-N 1 2 344.524 3.752 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007878261 1039729547 /nfs/dbraw/zinc/72/95/47/1039729547.db2.gz NQPHPYHYKUPAIN-XXWNAHEMSA-N 1 2 344.524 3.752 20 0 EHADLO Cc1cc(NCc2ccc(C[S@@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000893848498 1039750091 /nfs/dbraw/zinc/75/00/91/1039750091.db2.gz QLYFWPPRIZHYOF-HSZRJFAPSA-N 1 2 329.469 3.543 20 0 EHADLO Cc1cc(NCc2ccc(C[S@](C)=O)cc2)nc(C2CCC2)[nH+]1 ZINC000893848499 1039751870 /nfs/dbraw/zinc/75/18/70/1039751870.db2.gz QLYFWPPRIZHYOF-QHCPKHFHSA-N 1 2 329.469 3.543 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000554852337 1039834147 /nfs/dbraw/zinc/83/41/47/1039834147.db2.gz DLVKJQPCMDEPQZ-SJORKVTESA-N 1 2 327.827 3.754 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000554852337 1039834172 /nfs/dbraw/zinc/83/41/72/1039834172.db2.gz DLVKJQPCMDEPQZ-SJORKVTESA-N 1 2 327.827 3.754 20 0 EHADLO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)s1 ZINC000553218417 1039876749 /nfs/dbraw/zinc/87/67/49/1039876749.db2.gz LHFNZIRXGIOKAT-LLVKDONJSA-N 1 2 338.423 3.556 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662209 1039879371 /nfs/dbraw/zinc/87/93/71/1039879371.db2.gz JLKNSMWIMKILEY-JLTOFOAXSA-N 1 2 338.430 3.957 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000553239601 1039887701 /nfs/dbraw/zinc/88/77/01/1039887701.db2.gz SKLYHUOAQVRMGP-LPHOPBHVSA-N 1 2 337.467 3.666 20 0 EHADLO CCc1nc(N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc(C)[nH+]1 ZINC000584797463 1039894985 /nfs/dbraw/zinc/89/49/85/1039894985.db2.gz NYWQKNOPPMPMLY-FUHWJXTLSA-N 1 2 325.456 3.931 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)sc2C1 ZINC000667726529 1039895083 /nfs/dbraw/zinc/89/50/83/1039895083.db2.gz DGPQMGJUXLDEKK-YNEHKIRRSA-N 1 2 344.484 3.524 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(C2CCCCC2)CC1 ZINC000907070259 1039912666 /nfs/dbraw/zinc/91/26/66/1039912666.db2.gz VAAUUIYFIGDMKL-UHFFFAOYSA-N 1 2 343.471 3.526 20 0 EHADLO COc1cc(C)cc(C[N@H+](C)Cc2c(C)nc3sccn23)c1OC ZINC000893996099 1039933134 /nfs/dbraw/zinc/93/31/34/1039933134.db2.gz UAQCKNRQGJQHLG-UHFFFAOYSA-N 1 2 345.468 3.662 20 0 EHADLO COc1cc(C)cc(C[N@@H+](C)Cc2c(C)nc3sccn23)c1OC ZINC000893996099 1039933141 /nfs/dbraw/zinc/93/31/41/1039933141.db2.gz UAQCKNRQGJQHLG-UHFFFAOYSA-N 1 2 345.468 3.662 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479092016 1039944154 /nfs/dbraw/zinc/94/41/54/1039944154.db2.gz CSPJVWMJQVEUES-ZBFHGGJFSA-N 1 2 328.843 3.984 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479092016 1039944161 /nfs/dbraw/zinc/94/41/61/1039944161.db2.gz CSPJVWMJQVEUES-ZBFHGGJFSA-N 1 2 328.843 3.984 20 0 EHADLO COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000907209844 1039956866 /nfs/dbraw/zinc/95/68/66/1039956866.db2.gz HPBHSDZXIBMDBW-KXBFYZLASA-N 1 2 342.439 3.521 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000893310724 1039964514 /nfs/dbraw/zinc/96/45/14/1039964514.db2.gz NXRFGBVWNSHMSG-IBGZPJMESA-N 1 2 327.472 3.524 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000893310724 1039964524 /nfs/dbraw/zinc/96/45/24/1039964524.db2.gz NXRFGBVWNSHMSG-IBGZPJMESA-N 1 2 327.472 3.524 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000554965380 1039989313 /nfs/dbraw/zinc/98/93/13/1039989313.db2.gz JXSIYNYHFQATIY-MJGOQNOKSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(COc3ccccc3)c2)CC[S@@]1=O ZINC000894036521 1039990329 /nfs/dbraw/zinc/99/03/29/1039990329.db2.gz IOHHFIGHXBDSAH-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(COc3ccccc3)c2)CC[S@@]1=O ZINC000894036521 1039990342 /nfs/dbraw/zinc/99/03/42/1039990342.db2.gz IOHHFIGHXBDSAH-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO CSc1c(F)cc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1F ZINC000907320856 1040014414 /nfs/dbraw/zinc/01/44/14/1040014414.db2.gz OCXVZBMMFYQWAC-UHFFFAOYSA-N 1 2 325.384 3.565 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ocnc2C)CC1 ZINC000894054363 1040019407 /nfs/dbraw/zinc/01/94/07/1040019407.db2.gz OYEFFIKGWSZTPX-QGZVFWFLSA-N 1 2 335.398 3.530 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(Cl)cc1F ZINC000489477072 1040020311 /nfs/dbraw/zinc/02/03/11/1040020311.db2.gz JATDAIMYEFZZGA-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(Cl)cc1F ZINC000489477072 1040020320 /nfs/dbraw/zinc/02/03/20/1040020320.db2.gz JATDAIMYEFZZGA-UHFFFAOYSA-N 1 2 328.840 3.893 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438660 1040021112 /nfs/dbraw/zinc/02/11/12/1040021112.db2.gz MQCYILKDJUPFPA-HZPDHXFCSA-N 1 2 329.444 3.783 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438660 1040021127 /nfs/dbraw/zinc/02/11/27/1040021127.db2.gz MQCYILKDJUPFPA-HZPDHXFCSA-N 1 2 329.444 3.783 20 0 EHADLO Cc1ccc(SCCC(=O)NCC(C)(C)n2cc[nH+]c2)cc1C ZINC000912616831 1040023344 /nfs/dbraw/zinc/02/33/44/1040023344.db2.gz NFSQANCGRCGDCE-UHFFFAOYSA-N 1 2 331.485 3.534 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000907358230 1040024409 /nfs/dbraw/zinc/02/44/09/1040024409.db2.gz GXZFQRASGWJCCG-QZTJIDSGSA-N 1 2 342.414 3.796 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1ccsc1C(F)(F)F)n1cc[nH+]c1 ZINC000912614086 1040037239 /nfs/dbraw/zinc/03/72/39/1040037239.db2.gz KBJULYDFFXTPTA-ONEGZZNKSA-N 1 2 343.374 3.528 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000907427167 1040055316 /nfs/dbraw/zinc/05/53/16/1040055316.db2.gz XWRSJEKRWSMEBV-QGZVFWFLSA-N 1 2 344.842 3.874 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540398 1040060125 /nfs/dbraw/zinc/06/01/25/1040060125.db2.gz VPTFTJYFMOGQIU-OWYVNGRQSA-N 1 2 348.796 3.632 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540398 1040060140 /nfs/dbraw/zinc/06/01/40/1040060140.db2.gz VPTFTJYFMOGQIU-OWYVNGRQSA-N 1 2 348.796 3.632 20 0 EHADLO O=C(c1cc2sccc2s1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000473031713 1040085369 /nfs/dbraw/zinc/08/53/69/1040085369.db2.gz AHTNEGRQFVLSEZ-ZDUSSCGKSA-N 1 2 332.494 3.829 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667462457 1040104172 /nfs/dbraw/zinc/10/41/72/1040104172.db2.gz JIPWDVLOCFPJIQ-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1cccc(OCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000489629613 1040111392 /nfs/dbraw/zinc/11/13/92/1040111392.db2.gz OVDKCDKHPKPVSN-UHFFFAOYSA-N 1 2 349.434 3.688 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Br)cnc1OC)c1nccs1 ZINC000660252698 1040112109 /nfs/dbraw/zinc/11/21/09/1040112109.db2.gz DETVAKJLJWIHNO-LLVKDONJSA-N 1 2 342.262 3.550 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@H](C)c2ccccc2)c1C ZINC000067080412 1040123193 /nfs/dbraw/zinc/12/31/93/1040123193.db2.gz XNJPISNTAOWCNN-HNNXBMFYSA-N 1 2 341.455 3.652 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](OC(F)F)C3)n2)cc1 ZINC000555072952 1040128932 /nfs/dbraw/zinc/12/89/32/1040128932.db2.gz GUIMJGRHIQMHQL-AWEZNQCLSA-N 1 2 337.370 3.674 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](OC(F)F)C3)n2)cc1 ZINC000555072952 1040128940 /nfs/dbraw/zinc/12/89/40/1040128940.db2.gz GUIMJGRHIQMHQL-AWEZNQCLSA-N 1 2 337.370 3.674 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cc(Cl)cc(Cl)c2F)c[nH+]1 ZINC000899178344 1040131126 /nfs/dbraw/zinc/13/11/26/1040131126.db2.gz IYRPXNLPRKURPE-UHFFFAOYSA-N 1 2 344.217 3.689 20 0 EHADLO O=C([O-])CC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000417655085 1040135550 /nfs/dbraw/zinc/13/55/50/1040135550.db2.gz UYAMVFVKRAOZDR-UHFFFAOYSA-N 1 2 341.455 3.777 20 0 EHADLO Cc1cnc(C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)s1 ZINC000907754474 1040153642 /nfs/dbraw/zinc/15/36/42/1040153642.db2.gz SARPWQYHLVODQL-UHFFFAOYSA-N 1 2 329.469 3.792 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000432918329 1040174702 /nfs/dbraw/zinc/17/47/02/1040174702.db2.gz OMCKLAOHBVXWFM-CORIIIEPSA-N 1 2 329.362 3.883 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(C2CC2)CC1 ZINC000907810098 1040178759 /nfs/dbraw/zinc/17/87/59/1040178759.db2.gz MZGPYFXBMDVDHH-HNNXBMFYSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(C2CC2)CC1 ZINC000907810098 1040178770 /nfs/dbraw/zinc/17/87/70/1040178770.db2.gz MZGPYFXBMDVDHH-HNNXBMFYSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCCCS1 ZINC000907816453 1040183631 /nfs/dbraw/zinc/18/36/31/1040183631.db2.gz TVEHLRQQJORFFJ-YOEHRIQHSA-N 1 2 347.528 3.717 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCCCS1 ZINC000907816453 1040183641 /nfs/dbraw/zinc/18/36/41/1040183641.db2.gz TVEHLRQQJORFFJ-YOEHRIQHSA-N 1 2 347.528 3.717 20 0 EHADLO CS[C@H](C)CCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816481 1040183990 /nfs/dbraw/zinc/18/39/90/1040183990.db2.gz UMMLWLJZOQXOBT-UKRRQHHQSA-N 1 2 349.544 3.963 20 0 EHADLO CS[C@H](C)CCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816481 1040183999 /nfs/dbraw/zinc/18/39/99/1040183999.db2.gz UMMLWLJZOQXOBT-UKRRQHHQSA-N 1 2 349.544 3.963 20 0 EHADLO CSCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816895 1040185443 /nfs/dbraw/zinc/18/54/43/1040185443.db2.gz ZAELAJOKMKSYBM-HNNXBMFYSA-N 1 2 349.544 3.964 20 0 EHADLO CSCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816895 1040185450 /nfs/dbraw/zinc/18/54/50/1040185450.db2.gz ZAELAJOKMKSYBM-HNNXBMFYSA-N 1 2 349.544 3.964 20 0 EHADLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432924509 1040190688 /nfs/dbraw/zinc/19/06/88/1040190688.db2.gz MEQGZFDQLIFOKA-VIFPVBQESA-N 1 2 335.300 3.792 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@H](c2ccccc2)c2ccncn2)c1 ZINC000479390008 1040195324 /nfs/dbraw/zinc/19/53/24/1040195324.db2.gz IPNXSICDJKBRKP-GOSISDBHSA-N 1 2 341.361 3.957 20 0 EHADLO CCOC(=O)c1csc(C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000432928090 1040196754 /nfs/dbraw/zinc/19/67/54/1040196754.db2.gz KZEAFBDAVIKSCQ-UHFFFAOYSA-N 1 2 330.453 3.699 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)n(C)n1 ZINC000417714511 1040198619 /nfs/dbraw/zinc/19/86/19/1040198619.db2.gz HRRIIVOBQAOUBH-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)n(C)n1 ZINC000417714511 1040198622 /nfs/dbraw/zinc/19/86/22/1040198622.db2.gz HRRIIVOBQAOUBH-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000899220527 1040200560 /nfs/dbraw/zinc/20/05/60/1040200560.db2.gz HWIYVOATZGWYBN-CHWSQXEVSA-N 1 2 337.345 3.584 20 0 EHADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000899220527 1040200578 /nfs/dbraw/zinc/20/05/78/1040200578.db2.gz HWIYVOATZGWYBN-CHWSQXEVSA-N 1 2 337.345 3.584 20 0 EHADLO Cc1cc(OCCCNC(=O)C2CCCC2)c2cccc(C)c2[nH+]1 ZINC000479410786 1040217175 /nfs/dbraw/zinc/21/71/75/1040217175.db2.gz SKTHQASLPHJESN-UHFFFAOYSA-N 1 2 326.440 3.927 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(Br)cn2)c(C)[nH+]1 ZINC000907892777 1040218873 /nfs/dbraw/zinc/21/88/73/1040218873.db2.gz COIFZZKVPSNZBI-LLVKDONJSA-N 1 2 348.244 3.655 20 0 EHADLO Cn1cc(Br)c(C[N@H+](CC2CCCCC2)C2CC2)n1 ZINC000432943609 1040225510 /nfs/dbraw/zinc/22/55/10/1040225510.db2.gz ISGUBFUJIDLOSY-UHFFFAOYSA-N 1 2 326.282 3.727 20 0 EHADLO Cn1cc(Br)c(C[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC000432943609 1040225524 /nfs/dbraw/zinc/22/55/24/1040225524.db2.gz ISGUBFUJIDLOSY-UHFFFAOYSA-N 1 2 326.282 3.727 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553634443 1040260618 /nfs/dbraw/zinc/26/06/18/1040260618.db2.gz QZTKCGKNRSKBTR-UHFFFAOYSA-N 1 2 346.434 3.849 20 0 EHADLO Cc1nc(N[C@H]2CCCC23CCOCC3)c(Br)c(C)[nH+]1 ZINC000663878159 1040268111 /nfs/dbraw/zinc/26/81/11/1040268111.db2.gz MVXXFUVLMSLBTO-LBPRGKRZSA-N 1 2 340.265 3.617 20 0 EHADLO CC[N@H+](Cc1cnn2c1CCC2)Cc1ccccc1Br ZINC000667504409 1040297009 /nfs/dbraw/zinc/29/70/09/1040297009.db2.gz RBZNVGHXBARTDT-UHFFFAOYSA-N 1 2 334.261 3.614 20 0 EHADLO CC[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1Br ZINC000667504409 1040297025 /nfs/dbraw/zinc/29/70/25/1040297025.db2.gz RBZNVGHXBARTDT-UHFFFAOYSA-N 1 2 334.261 3.614 20 0 EHADLO CCCCCNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667501896 1040312461 /nfs/dbraw/zinc/31/24/61/1040312461.db2.gz OCNRXWOXOBXLJI-UHFFFAOYSA-N 1 2 342.405 3.622 20 0 EHADLO CCC[N@H+](CC(F)F)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000152120041 1040314816 /nfs/dbraw/zinc/31/48/16/1040314816.db2.gz NKINFPRCXDDGPO-LBPRGKRZSA-N 1 2 325.321 3.586 20 0 EHADLO CCC[N@@H+](CC(F)F)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000152120041 1040314832 /nfs/dbraw/zinc/31/48/32/1040314832.db2.gz NKINFPRCXDDGPO-LBPRGKRZSA-N 1 2 325.321 3.586 20 0 EHADLO CCC[N@H+](Cc1cc(OC)ccn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490076358 1040337642 /nfs/dbraw/zinc/33/76/42/1040337642.db2.gz AMXOFGMOLVHZAI-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)ccn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490076358 1040337652 /nfs/dbraw/zinc/33/76/52/1040337652.db2.gz AMXOFGMOLVHZAI-INIZCTEOSA-N 1 2 341.455 3.638 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000908233919 1040362724 /nfs/dbraw/zinc/36/27/24/1040362724.db2.gz BQKKLLRQUNEYPR-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000511649546 1040394570 /nfs/dbraw/zinc/39/45/70/1040394570.db2.gz SPZRMMXQLPHKMY-CTNGQTDRSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000511649546 1040394580 /nfs/dbraw/zinc/39/45/80/1040394580.db2.gz SPZRMMXQLPHKMY-CTNGQTDRSA-N 1 2 339.435 3.859 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649084 1040403626 /nfs/dbraw/zinc/40/36/26/1040403626.db2.gz OENIBPGXFAIYAQ-IJLUTSLNSA-N 1 2 334.382 3.526 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649084 1040403635 /nfs/dbraw/zinc/40/36/35/1040403635.db2.gz OENIBPGXFAIYAQ-IJLUTSLNSA-N 1 2 334.382 3.526 20 0 EHADLO CCC(CC)[N@H+](CCOC)Cc1c(F)cncc1Br ZINC000667520851 1040403822 /nfs/dbraw/zinc/40/38/22/1040403822.db2.gz FTQSTJIUSUXIBV-UHFFFAOYSA-N 1 2 333.245 3.620 20 0 EHADLO CCC(CC)[N@@H+](CCOC)Cc1c(F)cncc1Br ZINC000667520851 1040403829 /nfs/dbraw/zinc/40/38/29/1040403829.db2.gz FTQSTJIUSUXIBV-UHFFFAOYSA-N 1 2 333.245 3.620 20 0 EHADLO CCn1c[nH+]cc1CN1CCc2cc(Br)cc(C)c2C1 ZINC000417980476 1040410859 /nfs/dbraw/zinc/41/08/59/1040410859.db2.gz IRVTWUCUXPQVIO-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000486767304 1040424685 /nfs/dbraw/zinc/42/46/85/1040424685.db2.gz GDIOUXKOPYEBOC-GOSISDBHSA-N 1 2 339.483 3.611 20 0 EHADLO CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)c1ccc(C)o1 ZINC000667527085 1040451314 /nfs/dbraw/zinc/45/13/14/1040451314.db2.gz AAZVGBVYJPATGA-ARFHVFGLSA-N 1 2 329.444 3.815 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000411137617 1040487073 /nfs/dbraw/zinc/48/70/73/1040487073.db2.gz UZWGXBVNGKJTIM-JCURWCKSSA-N 1 2 345.487 3.522 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@@](=O)CC[C@@H]3C)o2)cc1 ZINC000433031446 1040504634 /nfs/dbraw/zinc/50/46/34/1040504634.db2.gz YWFJESHDDQLTNT-WNSKOXEYSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@@](=O)CC[C@@H]3C)o2)cc1 ZINC000433031446 1040504654 /nfs/dbraw/zinc/50/46/54/1040504654.db2.gz YWFJESHDDQLTNT-WNSKOXEYSA-N 1 2 331.481 3.852 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)o1 ZINC000433033619 1040517127 /nfs/dbraw/zinc/51/71/27/1040517127.db2.gz QGCFANHUYNCYJT-ZAMGYDSWSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)o1 ZINC000433033619 1040517144 /nfs/dbraw/zinc/51/71/44/1040517144.db2.gz QGCFANHUYNCYJT-ZAMGYDSWSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1nc2ccccc2cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000109281646 1040535361 /nfs/dbraw/zinc/53/53/61/1040535361.db2.gz YTTLNNFPPLCXKT-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cs1 ZINC000418089902 1040565997 /nfs/dbraw/zinc/56/59/97/1040565997.db2.gz DALMCVHQMCUXSA-HNNXBMFYSA-N 1 2 338.423 3.775 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cs1 ZINC000418089902 1040566007 /nfs/dbraw/zinc/56/60/07/1040566007.db2.gz DALMCVHQMCUXSA-HNNXBMFYSA-N 1 2 338.423 3.775 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000486934029 1040567618 /nfs/dbraw/zinc/56/76/18/1040567618.db2.gz YASCWZHABHNOPO-WMZOPIPTSA-N 1 2 332.492 3.806 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc[nH+]c2N)n1)CC[C@H](C)C3 ZINC000663963179 1040618950 /nfs/dbraw/zinc/61/89/50/1040618950.db2.gz UBDQNJGRPNUHOK-JTQLQIEISA-N 1 2 339.468 3.714 20 0 EHADLO O=C(/C=C\c1nc2ccccc2o1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000490667236 1040670777 /nfs/dbraw/zinc/67/07/77/1040670777.db2.gz PXGIAMVXCGWFRN-KTKRTIGZSA-N 1 2 330.347 3.665 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)n1 ZINC000481353838 1040730975 /nfs/dbraw/zinc/73/09/75/1040730975.db2.gz WJKWSNPFAVCIMB-YVEFUNNKSA-N 1 2 337.851 3.931 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1Br ZINC000487202965 1040773473 /nfs/dbraw/zinc/77/34/73/1040773473.db2.gz RLDSZJMUJCDVIJ-TXEJJXNPSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1Br ZINC000487202965 1040773486 /nfs/dbraw/zinc/77/34/86/1040773486.db2.gz RLDSZJMUJCDVIJ-TXEJJXNPSA-N 1 2 325.250 3.569 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)sn1 ZINC000660365621 1040779579 /nfs/dbraw/zinc/77/95/79/1040779579.db2.gz LGQNLKHCZNFKKS-VIFPVBQESA-N 1 2 338.383 3.747 20 0 EHADLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3nccs3)o2)cc1 ZINC000614240072 1040785896 /nfs/dbraw/zinc/78/58/96/1040785896.db2.gz CTWCPAZWLXHMAU-UHFFFAOYSA-N 1 2 342.420 3.870 20 0 EHADLO CCC[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043001150 1040823784 /nfs/dbraw/zinc/82/37/84/1040823784.db2.gz KHFPHQVPGZXDCH-OAGGEKHMSA-N 1 2 333.476 3.606 20 0 EHADLO CCC[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043001150 1040823803 /nfs/dbraw/zinc/82/38/03/1040823803.db2.gz KHFPHQVPGZXDCH-OAGGEKHMSA-N 1 2 333.476 3.606 20 0 EHADLO c1cn(CCOc2ccccc2NCc2cccc3c2NCCC3)c[nH+]1 ZINC000894122620 1040843008 /nfs/dbraw/zinc/84/30/08/1040843008.db2.gz VQTDUKVTDPGNDT-UHFFFAOYSA-N 1 2 348.450 3.932 20 0 EHADLO Cc1ccc(/C=C\C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000490982527 1040857082 /nfs/dbraw/zinc/85/70/82/1040857082.db2.gz NLGCOSYNBFUDBY-KTKRTIGZSA-N 1 2 331.419 3.569 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000668769081 1040858097 /nfs/dbraw/zinc/85/80/97/1040858097.db2.gz WCZQOKABVRIFNT-IUODEOHRSA-N 1 2 339.361 3.618 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000668769081 1040858105 /nfs/dbraw/zinc/85/81/05/1040858105.db2.gz WCZQOKABVRIFNT-IUODEOHRSA-N 1 2 339.361 3.618 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)nc1 ZINC000411469542 1040885552 /nfs/dbraw/zinc/88/55/52/1040885552.db2.gz MBLBKAJUNUSOGH-LLVKDONJSA-N 1 2 336.794 3.902 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](C)[C@H](CO)COC(C)C)cs2)cc1 ZINC000433160432 1040930711 /nfs/dbraw/zinc/93/07/11/1040930711.db2.gz OJRTZVYHVHDKJV-GOSISDBHSA-N 1 2 348.512 3.590 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](C)[C@H](CO)COC(C)C)cs2)cc1 ZINC000433160432 1040930730 /nfs/dbraw/zinc/93/07/30/1040930730.db2.gz OJRTZVYHVHDKJV-GOSISDBHSA-N 1 2 348.512 3.590 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC1CC1)CC1CCC1 ZINC000614307940 1040996463 /nfs/dbraw/zinc/99/64/63/1040996463.db2.gz BZBGVEMIPJJKOA-LJQANCHMSA-N 1 2 337.467 3.970 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514559 1041012381 /nfs/dbraw/zinc/01/23/81/1041012381.db2.gz ZSMSQUFYNWUOOV-CZUORRHYSA-N 1 2 330.453 3.584 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514559 1041012395 /nfs/dbraw/zinc/01/23/95/1041012395.db2.gz ZSMSQUFYNWUOOV-CZUORRHYSA-N 1 2 330.453 3.584 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433192172 1041032751 /nfs/dbraw/zinc/03/27/51/1041032751.db2.gz KBZWVVLHPWBORF-UKRRQHHQSA-N 1 2 344.546 3.585 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433192172 1041032768 /nfs/dbraw/zinc/03/27/68/1041032768.db2.gz KBZWVVLHPWBORF-UKRRQHHQSA-N 1 2 344.546 3.585 20 0 EHADLO CCCCC[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000487667191 1041037571 /nfs/dbraw/zinc/03/75/71/1041037571.db2.gz FYYXKWWEOZRLAL-GOSISDBHSA-N 1 2 344.503 3.805 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(Cl)c1 ZINC000487743445 1041088689 /nfs/dbraw/zinc/08/86/89/1041088689.db2.gz VRHUWEFJEQVQTE-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO Fc1ccc(C[C@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000055018749 1041100899 /nfs/dbraw/zinc/10/08/99/1041100899.db2.gz SAUVGVNQDBSOJS-MRXNPFEDSA-N 1 2 332.448 3.553 20 0 EHADLO Fc1ccc(C[C@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)cc1 ZINC000055018749 1041100900 /nfs/dbraw/zinc/10/09/00/1041100900.db2.gz SAUVGVNQDBSOJS-MRXNPFEDSA-N 1 2 332.448 3.553 20 0 EHADLO O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487773136 1041105591 /nfs/dbraw/zinc/10/55/91/1041105591.db2.gz WSUUKMMLJNZFNP-OALUTQOASA-N 1 2 346.434 3.724 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000481581584 1041112328 /nfs/dbraw/zinc/11/23/28/1041112328.db2.gz OLHNXYUKLPKQGZ-VQTJNVASSA-N 1 2 340.467 3.504 20 0 EHADLO O=C(NC[C@H]1SCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000487844598 1041128940 /nfs/dbraw/zinc/12/89/40/1041128940.db2.gz WCFQZNNXKAFBEA-LJQANCHMSA-N 1 2 349.459 3.633 20 0 EHADLO FC(F)(F)c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000364401444 1041177973 /nfs/dbraw/zinc/17/79/73/1041177973.db2.gz HLOWZSSGYLQBJX-UHFFFAOYSA-N 1 2 330.741 3.861 20 0 EHADLO Cc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc2[nH]cnc21 ZINC000923903230 1041178624 /nfs/dbraw/zinc/17/86/24/1041178624.db2.gz USVCMISPZOFYSA-OAHLLOKOSA-N 1 2 336.399 3.753 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C)O1 ZINC000487928588 1041189800 /nfs/dbraw/zinc/18/98/00/1041189800.db2.gz WRXDIEXTPYIHQX-APWZRJJASA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C)O1 ZINC000487928588 1041189812 /nfs/dbraw/zinc/18/98/12/1041189812.db2.gz WRXDIEXTPYIHQX-APWZRJJASA-N 1 2 326.440 3.660 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000487951519 1041198574 /nfs/dbraw/zinc/19/85/74/1041198574.db2.gz IBILWZMZAKCSHM-UHFFFAOYSA-N 1 2 349.471 3.948 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000487951519 1041198582 /nfs/dbraw/zinc/19/85/82/1041198582.db2.gz IBILWZMZAKCSHM-UHFFFAOYSA-N 1 2 349.471 3.948 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070613 1041224064 /nfs/dbraw/zinc/22/40/64/1041224064.db2.gz PVYYXOICEMOSDN-HNAYVOBHSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070613 1041224081 /nfs/dbraw/zinc/22/40/81/1041224081.db2.gz PVYYXOICEMOSDN-HNAYVOBHSA-N 1 2 329.465 3.673 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571213558 1041255994 /nfs/dbraw/zinc/25/59/94/1041255994.db2.gz IJGIPYIKOCJRMD-YQQAZPJKSA-N 1 2 343.858 3.551 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cc(Cl)ccc1Cl ZINC000571415559 1041290189 /nfs/dbraw/zinc/29/01/89/1041290189.db2.gz AFCIBUWKPDUJGG-VHSXEESVSA-N 1 2 326.227 3.773 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cc(Cl)ccc1Cl ZINC000571415559 1041290200 /nfs/dbraw/zinc/29/02/00/1041290200.db2.gz AFCIBUWKPDUJGG-VHSXEESVSA-N 1 2 326.227 3.773 20 0 EHADLO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ncsc1Br ZINC000660430288 1041294302 /nfs/dbraw/zinc/29/43/02/1041294302.db2.gz MFBVYLOBYCIKRF-ZDUSSCGKSA-N 1 2 333.295 3.687 20 0 EHADLO CCC[C@@]1(COC)CCC[N@H+]1Cc1ncsc1Br ZINC000660430288 1041294315 /nfs/dbraw/zinc/29/43/15/1041294315.db2.gz MFBVYLOBYCIKRF-ZDUSSCGKSA-N 1 2 333.295 3.687 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CC(F)(F)F ZINC000419329392 1041373708 /nfs/dbraw/zinc/37/37/08/1041373708.db2.gz GGZIDAWTJQWGAZ-ZWNOBZJWSA-N 1 2 337.769 3.602 20 0 EHADLO FC(F)(F)Oc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000513009678 1041380675 /nfs/dbraw/zinc/38/06/75/1041380675.db2.gz UPKWEJBZCZIGDV-UHFFFAOYSA-N 1 2 337.345 3.614 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000419340671 1041415165 /nfs/dbraw/zinc/41/51/65/1041415165.db2.gz ZIJHPLGZVALYMT-UHFFFAOYSA-N 1 2 332.297 3.510 20 0 EHADLO CCc1nocc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000660460581 1041496442 /nfs/dbraw/zinc/49/64/42/1041496442.db2.gz HVZVBSUAERCFRH-CQSZACIVSA-N 1 2 348.752 3.732 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000432086787 1041569187 /nfs/dbraw/zinc/56/91/87/1041569187.db2.gz APSAZSWAMZUOOK-IKGGRYGDSA-N 1 2 345.487 3.638 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccs3)C2)oc1C ZINC000292729554 1041601327 /nfs/dbraw/zinc/60/13/27/1041601327.db2.gz VFNYKJQPGKBVDG-IAQYHMDHSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@@H](c3cccs3)C2)oc1C ZINC000292729554 1041601328 /nfs/dbraw/zinc/60/13/28/1041601328.db2.gz VFNYKJQPGKBVDG-IAQYHMDHSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)oc1C ZINC000292891311 1041603394 /nfs/dbraw/zinc/60/33/94/1041603394.db2.gz JGUAVUIQMFPIHS-MEBBXXQBSA-N 1 2 334.441 3.941 20 0 EHADLO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1OC(F)F ZINC000660583197 1041704246 /nfs/dbraw/zinc/70/42/46/1041704246.db2.gz AGVLAMCVVHTFRR-HOCLYGCPSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1OC(F)F ZINC000660583197 1041704249 /nfs/dbraw/zinc/70/42/49/1041704249.db2.gz AGVLAMCVVHTFRR-HOCLYGCPSA-N 1 2 341.373 3.961 20 0 EHADLO Cc1cnc(NCc2ccn3cc[nH+]c3c2)nc1-c1ccccc1F ZINC000549522920 1041839490 /nfs/dbraw/zinc/83/94/90/1041839490.db2.gz IZXWISQVKXFKFR-UHFFFAOYSA-N 1 2 333.370 3.851 20 0 EHADLO C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000843671370 1041969126 /nfs/dbraw/zinc/96/91/26/1041969126.db2.gz VGTYVDDIVTUTQR-HXUWFJFHSA-N 1 2 337.398 3.711 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651741252 1041985533 /nfs/dbraw/zinc/98/55/33/1041985533.db2.gz CKCLWTOUQARSOM-QVKFZJNVSA-N 1 2 337.467 3.592 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651741254 1041986208 /nfs/dbraw/zinc/98/62/08/1041986208.db2.gz CKCLWTOUQARSOM-YCRPNKLZSA-N 1 2 337.467 3.592 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCC2)c2ccc(F)cc2Cl)cc1 ZINC000487348786 1042004035 /nfs/dbraw/zinc/00/40/35/1042004035.db2.gz ZGDFPQPMTHSHBG-LJQANCHMSA-N 1 2 346.833 3.699 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001126055910 1042034887 /nfs/dbraw/zinc/03/48/87/1042034887.db2.gz XOJRSJYNOJDTRM-KKSFZXQISA-N 1 2 349.434 3.749 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c[nH+]1 ZINC000661291800 1042052191 /nfs/dbraw/zinc/05/21/91/1042052191.db2.gz KSHURKGOBICKKD-HNNXBMFYSA-N 1 2 329.419 3.576 20 0 EHADLO CCCOc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1F ZINC001211666236 1042064307 /nfs/dbraw/zinc/06/43/07/1042064307.db2.gz ZDDJACLUMGZKSJ-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1cscn1 ZINC000661421991 1042113973 /nfs/dbraw/zinc/11/39/73/1042113973.db2.gz IBFYOIXWBSKUTO-LIRRHRJNSA-N 1 2 343.496 3.841 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509950 1042163948 /nfs/dbraw/zinc/16/39/48/1042163948.db2.gz FFMXFLPPICCMGM-KUHUBIRLSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509950 1042163950 /nfs/dbraw/zinc/16/39/50/1042163950.db2.gz FFMXFLPPICCMGM-KUHUBIRLSA-N 1 2 344.405 3.931 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534470 1042172497 /nfs/dbraw/zinc/17/24/97/1042172497.db2.gz DCDXJWCPLICVPP-CHWSQXEVSA-N 1 2 331.382 3.693 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534470 1042172498 /nfs/dbraw/zinc/17/24/98/1042172498.db2.gz DCDXJWCPLICVPP-CHWSQXEVSA-N 1 2 331.382 3.693 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000066889623 1042204264 /nfs/dbraw/zinc/20/42/64/1042204264.db2.gz DUTDNBLYVNJTNU-CQSZACIVSA-N 1 2 340.452 3.803 20 0 EHADLO O=C(NCc1ccc(Cl)s1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889759 1042209586 /nfs/dbraw/zinc/20/95/86/1042209586.db2.gz NOGAYKNGWFKLLV-UHFFFAOYSA-N 1 2 346.843 3.587 20 0 EHADLO C[C@H]1CC[C@@](C)(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1(C)C ZINC000661597351 1042210414 /nfs/dbraw/zinc/21/04/14/1042210414.db2.gz KVJMACKXHGZUIR-LIRRHRJNSA-N 1 2 332.492 3.761 20 0 EHADLO O=C(NCc1cc2ccccc2o1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890142 1042211692 /nfs/dbraw/zinc/21/16/92/1042211692.db2.gz GAFSXNCINAHDSG-UHFFFAOYSA-N 1 2 346.390 3.618 20 0 EHADLO Cc1ccccc1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890937 1042212938 /nfs/dbraw/zinc/21/29/38/1042212938.db2.gz QVJKRLFXHWFAKX-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@H](CCF)C2)nc2c3ccccc3oc21 ZINC000661691408 1042255598 /nfs/dbraw/zinc/25/55/98/1042255598.db2.gz DJUUURQOGYOCGU-GFCCVEGCSA-N 1 2 329.375 3.653 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@H](CCF)C2)nc2c3ccccc3oc21 ZINC000661691408 1042255602 /nfs/dbraw/zinc/25/56/02/1042255602.db2.gz DJUUURQOGYOCGU-GFCCVEGCSA-N 1 2 329.375 3.653 20 0 EHADLO COc1cncc(/C=C\CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000661737094 1042293259 /nfs/dbraw/zinc/29/32/59/1042293259.db2.gz ROQPJTMRXQOBLX-ZUCRQSCHSA-N 1 2 342.414 3.706 20 0 EHADLO COc1cncc(/C=C\CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000661737094 1042293264 /nfs/dbraw/zinc/29/32/64/1042293264.db2.gz ROQPJTMRXQOBLX-ZUCRQSCHSA-N 1 2 342.414 3.706 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)O1 ZINC000661857358 1042370138 /nfs/dbraw/zinc/37/01/38/1042370138.db2.gz OHLHUKPNFCVXOM-MNOVXSKESA-N 1 2 328.243 3.640 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)O1 ZINC000661857358 1042370142 /nfs/dbraw/zinc/37/01/42/1042370142.db2.gz OHLHUKPNFCVXOM-MNOVXSKESA-N 1 2 328.243 3.640 20 0 EHADLO CSc1cc(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1C ZINC000652338543 1042393992 /nfs/dbraw/zinc/39/39/92/1042393992.db2.gz VACGYDZGIDJRLK-UHFFFAOYSA-N 1 2 343.452 3.614 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661954183 1042427093 /nfs/dbraw/zinc/42/70/93/1042427093.db2.gz VGGXDVJNNIPWRV-LBPRGKRZSA-N 1 2 331.441 3.694 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997673 1042455437 /nfs/dbraw/zinc/45/54/37/1042455437.db2.gz MXSDAQGWNGGDSU-CQSZACIVSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997673 1042455439 /nfs/dbraw/zinc/45/54/39/1042455439.db2.gz MXSDAQGWNGGDSU-CQSZACIVSA-N 1 2 339.439 3.689 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000025545367 1042473039 /nfs/dbraw/zinc/47/30/39/1042473039.db2.gz ORTICQNTZSMGQE-CYBMUJFWSA-N 1 2 328.412 3.694 20 0 EHADLO Fc1ccc(Br)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662046516 1042479604 /nfs/dbraw/zinc/47/96/04/1042479604.db2.gz HOILMNMLUWTWOK-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccon3)CC2)c(Cl)c1 ZINC000662048442 1042481313 /nfs/dbraw/zinc/48/13/13/1042481313.db2.gz ZYRKUDNUNKVSAK-ZDUSSCGKSA-N 1 2 347.846 3.843 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000652445379 1042481325 /nfs/dbraw/zinc/48/13/25/1042481325.db2.gz XLEQBXKMVNXEOH-OAHLLOKOSA-N 1 2 331.504 3.825 20 0 EHADLO CCc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)nc1 ZINC000662052249 1042486751 /nfs/dbraw/zinc/48/67/51/1042486751.db2.gz QGNOFDCPTHBVSQ-OAHLLOKOSA-N 1 2 325.239 3.774 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184392321 1042502475 /nfs/dbraw/zinc/50/24/75/1042502475.db2.gz RDFGRUWNSNNHKD-HNNXBMFYSA-N 1 2 331.485 3.541 20 0 EHADLO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000248498656 1042527433 /nfs/dbraw/zinc/52/74/33/1042527433.db2.gz MKSZRQJIDCGDRK-OPRDCNLKSA-N 1 2 346.240 3.900 20 0 EHADLO C[C@@H](CBr)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000248671853 1042527464 /nfs/dbraw/zinc/52/74/64/1042527464.db2.gz BMCBCCRYBGUEIU-SMDDNHRTSA-N 1 2 332.669 3.744 20 0 EHADLO C[C@@H](CBr)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000248671853 1042527468 /nfs/dbraw/zinc/52/74/68/1042527468.db2.gz BMCBCCRYBGUEIU-SMDDNHRTSA-N 1 2 332.669 3.744 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000662162245 1042556356 /nfs/dbraw/zinc/55/63/56/1042556356.db2.gz AXOVAZMVUCISDV-HNNXBMFYSA-N 1 2 343.320 3.698 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cc(C(F)(F)F)nn1C ZINC000663256257 1042603478 /nfs/dbraw/zinc/60/34/78/1042603478.db2.gz MNZGAVHCYFAEBP-UHFFFAOYSA-N 1 2 337.349 3.811 20 0 EHADLO C[C@H]1C[N@H+](CCc2nsc3ccccc23)C[C@H](CC(F)(F)F)O1 ZINC000662240782 1042627389 /nfs/dbraw/zinc/62/73/89/1042627389.db2.gz MMUMBXRDEDLCPH-RYUDHWBXSA-N 1 2 344.402 3.881 20 0 EHADLO C[C@H]1C[N@@H+](CCc2nsc3ccccc23)C[C@H](CC(F)(F)F)O1 ZINC000662240782 1042627391 /nfs/dbraw/zinc/62/73/91/1042627391.db2.gz MMUMBXRDEDLCPH-RYUDHWBXSA-N 1 2 344.402 3.881 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CC2=CCSC2)c(C)n1Cc1ccco1 ZINC000662269997 1042645086 /nfs/dbraw/zinc/64/50/86/1042645086.db2.gz KIEWFMHCLMTOAY-UHFFFAOYSA-N 1 2 344.480 3.534 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CC2=CCSC2)c(C)n1Cc1ccco1 ZINC000662269997 1042645089 /nfs/dbraw/zinc/64/50/89/1042645089.db2.gz KIEWFMHCLMTOAY-UHFFFAOYSA-N 1 2 344.480 3.534 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1Cl ZINC000663326847 1042694753 /nfs/dbraw/zinc/69/47/53/1042694753.db2.gz WKJXDTKBTYYZAF-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1Cl ZINC000663326847 1042694758 /nfs/dbraw/zinc/69/47/58/1042694758.db2.gz WKJXDTKBTYYZAF-CYBMUJFWSA-N 1 2 346.862 3.654 20 0 EHADLO c1cn2c(n1)[C@H]([NH2+]Cc1nc3c(s1)CCC3)CCc1ccccc1-2 ZINC000663351064 1042742367 /nfs/dbraw/zinc/74/23/67/1042742367.db2.gz HWPRRLAJESQQJR-OAHLLOKOSA-N 1 2 336.464 3.595 20 0 EHADLO O=C(C[NH2+]Cc1c(Cl)cccc1Cl)Nc1cccc(F)c1 ZINC000065275786 1042760634 /nfs/dbraw/zinc/76/06/34/1042760634.db2.gz ONPZDUXVPWQFNG-UHFFFAOYSA-N 1 2 327.186 3.861 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](CNc3ccc4ccccc4n3)C2)cc1 ZINC000311774929 1042828274 /nfs/dbraw/zinc/82/82/74/1042828274.db2.gz NTOGESSAQIPYPX-LJQANCHMSA-N 1 2 333.435 3.548 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](CNc3ccc4ccccc4n3)C2)cc1 ZINC000311774929 1042828280 /nfs/dbraw/zinc/82/82/80/1042828280.db2.gz NTOGESSAQIPYPX-LJQANCHMSA-N 1 2 333.435 3.548 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000278891323 1042849107 /nfs/dbraw/zinc/84/91/07/1042849107.db2.gz QJALDJZTWMJXOT-LBPRGKRZSA-N 1 2 343.324 3.574 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000278891323 1042849109 /nfs/dbraw/zinc/84/91/09/1042849109.db2.gz QJALDJZTWMJXOT-LBPRGKRZSA-N 1 2 343.324 3.574 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCCCC3)n2)C1 ZINC000043547669 1042855252 /nfs/dbraw/zinc/85/52/52/1042855252.db2.gz MHCIEEUPHGOBSE-CQSZACIVSA-N 1 2 336.505 3.783 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCCCC3)n2)C1 ZINC000043547669 1042855254 /nfs/dbraw/zinc/85/52/54/1042855254.db2.gz MHCIEEUPHGOBSE-CQSZACIVSA-N 1 2 336.505 3.783 20 0 EHADLO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000467010280 1042875824 /nfs/dbraw/zinc/87/58/24/1042875824.db2.gz DSJTUWXHADNWQA-TXEJJXNPSA-N 1 2 338.329 3.809 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc(C)[nH+]1 ZINC000643241839 1042902623 /nfs/dbraw/zinc/90/26/23/1042902623.db2.gz XRQAGHKUPVQOOW-JSGCOSHPSA-N 1 2 329.366 3.571 20 0 EHADLO CC1(C)C[C@@]1(C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000663476325 1042906678 /nfs/dbraw/zinc/90/66/78/1042906678.db2.gz BQLSNPOEAMMMKI-GHTZIAJQSA-N 1 2 332.451 3.852 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408274527 1042921212 /nfs/dbraw/zinc/92/12/12/1042921212.db2.gz ZZBOUVKCIZQOAW-BJJXKVORSA-N 1 2 327.428 3.731 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000408275254 1042927281 /nfs/dbraw/zinc/92/72/81/1042927281.db2.gz WUKFJSRDURCAMF-TZMCWYRMSA-N 1 2 346.500 3.669 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000303736349 1042944476 /nfs/dbraw/zinc/94/44/76/1042944476.db2.gz WTWYNODMDSQQLQ-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000303736349 1042944479 /nfs/dbraw/zinc/94/44/79/1042944479.db2.gz WTWYNODMDSQQLQ-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nnc(C(F)F)o2)CC1 ZINC000432335061 1042967844 /nfs/dbraw/zinc/96/78/44/1042967844.db2.gz JBDNUMZCLQOJHD-SNVBAGLBSA-N 1 2 342.777 3.544 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000424810555 1042976042 /nfs/dbraw/zinc/97/60/42/1042976042.db2.gz NXXYNEAKINIPNQ-IEBWSBKVSA-N 1 2 339.483 3.703 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000278940141 1043045969 /nfs/dbraw/zinc/04/59/69/1043045969.db2.gz NKFXIXCWWDRYHD-CQSZACIVSA-N 1 2 347.802 3.803 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000278940141 1043045978 /nfs/dbraw/zinc/04/59/78/1043045978.db2.gz NKFXIXCWWDRYHD-CQSZACIVSA-N 1 2 347.802 3.803 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccn1 ZINC000278957199 1043078969 /nfs/dbraw/zinc/07/89/69/1043078969.db2.gz HFGKNKQKSDFYBF-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278954785 1043079899 /nfs/dbraw/zinc/07/98/99/1043079899.db2.gz OUKYIXPOUWZNKQ-SNVBAGLBSA-N 1 2 337.411 3.509 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000344000130 1043082965 /nfs/dbraw/zinc/08/29/65/1043082965.db2.gz WVZYLXRZRWOAGU-CYBMUJFWSA-N 1 2 343.349 3.766 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000344000130 1043082980 /nfs/dbraw/zinc/08/29/80/1043082980.db2.gz WVZYLXRZRWOAGU-CYBMUJFWSA-N 1 2 343.349 3.766 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000432420309 1043147665 /nfs/dbraw/zinc/14/76/65/1043147665.db2.gz AWUSKBXJQFLZPH-UHFFFAOYSA-N 1 2 348.472 3.630 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc32)cc1OC ZINC000344131533 1043303284 /nfs/dbraw/zinc/30/32/84/1043303284.db2.gz MWMBECSDMPGSGH-BMIGLBTASA-N 1 2 335.350 3.766 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1ccccc1N(C)C ZINC000344134852 1043309292 /nfs/dbraw/zinc/30/92/92/1043309292.db2.gz ZRKOIKRATMWMAT-INIZCTEOSA-N 1 2 335.455 3.526 20 0 EHADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000344134852 1043309298 /nfs/dbraw/zinc/30/92/98/1043309298.db2.gz ZRKOIKRATMWMAT-INIZCTEOSA-N 1 2 335.455 3.526 20 0 EHADLO CCCn1ncnc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000279109249 1043370037 /nfs/dbraw/zinc/37/00/37/1043370037.db2.gz RCJKQDMACNUESW-IBGZPJMESA-N 1 2 336.439 3.598 20 0 EHADLO O=C(CCCn1cccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000050316092 1043386563 /nfs/dbraw/zinc/38/65/63/1043386563.db2.gz BNEAEDUNBFYPSX-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC000279162125 1043465613 /nfs/dbraw/zinc/46/56/13/1043465613.db2.gz GFQIJJRZLWKVSC-UHFFFAOYSA-N 1 2 326.227 3.616 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCCc4occc4C3)C2=O)c1 ZINC000344275442 1043575075 /nfs/dbraw/zinc/57/50/75/1043575075.db2.gz NAQZSHJTLSDJJM-QGZVFWFLSA-N 1 2 342.414 3.671 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCCc4occc4C3)C2=O)c1 ZINC000344275442 1043575083 /nfs/dbraw/zinc/57/50/83/1043575083.db2.gz NAQZSHJTLSDJJM-QGZVFWFLSA-N 1 2 342.414 3.671 20 0 EHADLO CCOc1ccc(C[C@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000643318993 1043703625 /nfs/dbraw/zinc/70/36/25/1043703625.db2.gz WLYCIUJAQBZBLQ-AWEZNQCLSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000543836489 1043751015 /nfs/dbraw/zinc/75/10/15/1043751015.db2.gz PCKXTIRBJCCFCE-MRXNPFEDSA-N 1 2 343.814 3.522 20 0 EHADLO CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162768605 1043776936 /nfs/dbraw/zinc/77/69/36/1043776936.db2.gz GNYHSLRGTOBIMU-UHFFFAOYSA-N 1 2 349.390 3.687 20 0 EHADLO O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000613976420 1043798368 /nfs/dbraw/zinc/79/83/68/1043798368.db2.gz JKTGWBRSGLZGQA-QMMMGPOBSA-N 1 2 328.174 3.530 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(c3c[nH]c4cc(C)ccc43)CC2)n1 ZINC000344376040 1043828626 /nfs/dbraw/zinc/82/86/26/1043828626.db2.gz ZAEQLWGCZZWMFN-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(C)o1 ZINC000279444050 1044091159 /nfs/dbraw/zinc/09/11/59/1044091159.db2.gz HRBYLGRMRRDGGO-QWHCGFSZSA-N 1 2 325.416 3.797 20 0 EHADLO O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000247663749 1044139055 /nfs/dbraw/zinc/13/90/55/1044139055.db2.gz YHYURIDAGVBODY-NZSAHSFTSA-N 1 2 336.439 3.520 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)s1 ZINC000344633988 1044223100 /nfs/dbraw/zinc/22/31/00/1044223100.db2.gz XLVPNUZNOQKNDK-UHFFFAOYSA-N 1 2 349.410 3.620 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)s1 ZINC000344633980 1044223357 /nfs/dbraw/zinc/22/33/57/1044223357.db2.gz XKLBIFIFSHOWCL-UHFFFAOYSA-N 1 2 347.875 3.995 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(F)cc3cccnc32)s1 ZINC000344639048 1044227925 /nfs/dbraw/zinc/22/79/25/1044227925.db2.gz KFVNKDMRLXGOFB-UHFFFAOYSA-N 1 2 330.432 3.813 20 0 EHADLO C[C@H]1N(C(=O)NCCCCn2cc[nH+]c2)c2ccccc2C1(C)C ZINC000663768501 1044230080 /nfs/dbraw/zinc/23/00/80/1044230080.db2.gz DMIGKMFGGFYNIO-OAHLLOKOSA-N 1 2 326.444 3.559 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cccc(C(F)F)c3)CC2)oc1C ZINC000279587234 1044267909 /nfs/dbraw/zinc/26/79/09/1044267909.db2.gz DAERMDAPQKMLFL-UHFFFAOYSA-N 1 2 335.398 3.547 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(CC(F)(F)F)CC3)ccc2[nH+]1 ZINC000344767094 1044400558 /nfs/dbraw/zinc/40/05/58/1044400558.db2.gz DIJYQTUVUNEQEI-UHFFFAOYSA-N 1 2 340.349 3.839 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279718772 1044466707 /nfs/dbraw/zinc/46/67/07/1044466707.db2.gz MCYWBMZYRFYPKR-ZDUSSCGKSA-N 1 2 337.439 3.960 20 0 EHADLO COc1cc[nH+]cc1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000344857736 1044544553 /nfs/dbraw/zinc/54/45/53/1044544553.db2.gz QZODUMKODPKGFM-UHFFFAOYSA-N 1 2 348.328 3.907 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)CCO2 ZINC000512291270 1044557728 /nfs/dbraw/zinc/55/77/28/1044557728.db2.gz GXVSQKBIJZAFNG-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)CCO2 ZINC000512291270 1044557740 /nfs/dbraw/zinc/55/77/40/1044557740.db2.gz GXVSQKBIJZAFNG-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000500465608 1044879975 /nfs/dbraw/zinc/87/99/75/1044879975.db2.gz VRRQPCPAKCZQGV-AUUYWEPGSA-N 1 2 338.842 3.946 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1-c1ccccc1F ZINC000153527923 1125515362 /nfs/dbraw/zinc/51/53/62/1125515362.db2.gz AITDAQOKIXEFEF-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO COc1ccc([C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000620363715 1125554965 /nfs/dbraw/zinc/55/49/65/1125554965.db2.gz YCBKDRNEGQOHTO-HRAATJIYSA-N 1 2 349.434 3.749 20 0 EHADLO C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000620585645 1125601046 /nfs/dbraw/zinc/60/10/46/1125601046.db2.gz SAQVKRGQGBFVGN-NRFANRHFSA-N 1 2 333.435 3.660 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000153624456 1125639343 /nfs/dbraw/zinc/63/93/43/1125639343.db2.gz JFNCRZLCFMINJK-ZDUSSCGKSA-N 1 2 331.416 3.724 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000153624456 1125639346 /nfs/dbraw/zinc/63/93/46/1125639346.db2.gz JFNCRZLCFMINJK-ZDUSSCGKSA-N 1 2 331.416 3.724 20 0 EHADLO CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000620683986 1125643344 /nfs/dbraw/zinc/64/33/44/1125643344.db2.gz YPWZFRUCBJIJIZ-FQEVSTJZSA-N 1 2 345.446 3.733 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153662285 1125644819 /nfs/dbraw/zinc/64/48/19/1125644819.db2.gz DTLWSYSVPJHREX-OALUTQOASA-N 1 2 339.439 3.642 20 0 EHADLO CC(C)C[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000153707099 1125651508 /nfs/dbraw/zinc/65/15/08/1125651508.db2.gz GIBDLDIKTSGLDL-SMDDNHRTSA-N 1 2 326.366 3.937 20 0 EHADLO O=C(CCc1cccc(F)c1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000154083862 1125691888 /nfs/dbraw/zinc/69/18/88/1125691888.db2.gz GWOFXAGLTARLOR-UHFFFAOYSA-N 1 2 327.334 3.926 20 0 EHADLO C[N@@H+]1CCO[C@H]([C@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000154346987 1125713624 /nfs/dbraw/zinc/71/36/24/1125713624.db2.gz UFHKDMNTGXXKIZ-RBUKOAKNSA-N 1 2 348.849 3.641 20 0 EHADLO C[N@H+]1CCO[C@H]([C@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000154346987 1125713629 /nfs/dbraw/zinc/71/36/29/1125713629.db2.gz UFHKDMNTGXXKIZ-RBUKOAKNSA-N 1 2 348.849 3.641 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154887567 1125763405 /nfs/dbraw/zinc/76/34/05/1125763405.db2.gz ZPMVZYCPNVEJIY-KRWDZBQOSA-N 1 2 328.460 3.735 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154887567 1125763413 /nfs/dbraw/zinc/76/34/13/1125763413.db2.gz ZPMVZYCPNVEJIY-KRWDZBQOSA-N 1 2 328.460 3.735 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000154979197 1125771547 /nfs/dbraw/zinc/77/15/47/1125771547.db2.gz PZRKXRDUAFAUBR-GOSISDBHSA-N 1 2 334.423 3.813 20 0 EHADLO c1ccc(N[C@@H]2CCC[N@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000154979197 1125771556 /nfs/dbraw/zinc/77/15/56/1125771556.db2.gz PZRKXRDUAFAUBR-GOSISDBHSA-N 1 2 334.423 3.813 20 0 EHADLO c1ccc(N[C@H]2CCC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000154979083 1125771867 /nfs/dbraw/zinc/77/18/67/1125771867.db2.gz PZRKXRDUAFAUBR-SFHVURJKSA-N 1 2 334.423 3.813 20 0 EHADLO c1ccc(N[C@H]2CCC[N@H+](Cc3noc(-c4ccccc4)n3)C2)cc1 ZINC000154979083 1125771873 /nfs/dbraw/zinc/77/18/73/1125771873.db2.gz PZRKXRDUAFAUBR-SFHVURJKSA-N 1 2 334.423 3.813 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000072514078 1126747132 /nfs/dbraw/zinc/74/71/32/1126747132.db2.gz WRBKGUVYRGRBFZ-MRXNPFEDSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000072514078 1126747136 /nfs/dbraw/zinc/74/71/36/1126747136.db2.gz WRBKGUVYRGRBFZ-MRXNPFEDSA-N 1 2 343.471 3.549 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2C1 ZINC000171346046 1126762769 /nfs/dbraw/zinc/76/27/69/1126762769.db2.gz ZMVLFUGTIFDFFH-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2C1 ZINC000171346046 1126762774 /nfs/dbraw/zinc/76/27/74/1126762774.db2.gz ZMVLFUGTIFDFFH-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO Cc1cccc2[nH]cc(CCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000171345576 1126762894 /nfs/dbraw/zinc/76/28/94/1126762894.db2.gz YZRZYXKOIARYRZ-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000072630259 1126813474 /nfs/dbraw/zinc/81/34/74/1126813474.db2.gz XKRQFSMGQOCRRG-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000072630259 1126813477 /nfs/dbraw/zinc/81/34/77/1126813477.db2.gz XKRQFSMGQOCRRG-LBPRGKRZSA-N 1 2 327.359 3.774 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)Nc1c(Cl)cccc1Cl ZINC000671246991 1126816992 /nfs/dbraw/zinc/81/69/92/1126816992.db2.gz SYFYUKHYKANVDM-GFCCVEGCSA-N 1 2 345.270 3.559 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)Nc1c(Cl)cccc1Cl ZINC000671246991 1126816994 /nfs/dbraw/zinc/81/69/94/1126816994.db2.gz SYFYUKHYKANVDM-GFCCVEGCSA-N 1 2 345.270 3.559 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1cccc(-n2cccn2)c1 ZINC000173199399 1126825983 /nfs/dbraw/zinc/82/59/83/1126825983.db2.gz DEPUZVGKHPHNIE-KGLIPLIRSA-N 1 2 339.443 3.965 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C(F)F)C3CCCCC3)[nH+]c12 ZINC000623007764 1126854253 /nfs/dbraw/zinc/85/42/53/1126854253.db2.gz LAAYMFVFFOMKDZ-MRXNPFEDSA-N 1 2 335.398 3.515 20 0 EHADLO O=C(N[C@@H](C(F)F)C1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000623009376 1126855434 /nfs/dbraw/zinc/85/54/34/1126855434.db2.gz ROZPEVLVTXWSIW-QGZVFWFLSA-N 1 2 347.409 3.875 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623300487 1126910632 /nfs/dbraw/zinc/91/06/32/1126910632.db2.gz SJFMRMWDLXHXJO-OAHLLOKOSA-N 1 2 337.448 3.665 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@@H]1CCn4c[nH+]cc4C1)(C2)C3 ZINC000623303918 1126911204 /nfs/dbraw/zinc/91/12/04/1126911204.db2.gz NMEHPTULSLROID-HKOIMECGSA-N 1 2 341.499 3.701 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918639 1126934095 /nfs/dbraw/zinc/93/40/95/1126934095.db2.gz TVQYBFVOZYDTJP-UKRRQHHQSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918639 1126934096 /nfs/dbraw/zinc/93/40/96/1126934096.db2.gz TVQYBFVOZYDTJP-UKRRQHHQSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918378 1126934414 /nfs/dbraw/zinc/93/44/14/1126934414.db2.gz RTROTQJDJHCKEF-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918378 1126934417 /nfs/dbraw/zinc/93/44/17/1126934417.db2.gz RTROTQJDJHCKEF-UKRRQHHQSA-N 1 2 331.489 3.574 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(C)c(Br)cn2)sc1C ZINC000623436871 1126952151 /nfs/dbraw/zinc/95/21/51/1126952151.db2.gz INXDRQGWLGBUBU-UHFFFAOYSA-N 1 2 326.263 3.516 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1OC1CC1 ZINC000623442530 1126956690 /nfs/dbraw/zinc/95/66/90/1126956690.db2.gz QYDRIBUMIFXJOP-GFCCVEGCSA-N 1 2 348.468 3.690 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(C3CC3)cs2)ncc1Br ZINC000623452060 1126959485 /nfs/dbraw/zinc/95/94/85/1126959485.db2.gz VQCACMVGPNEDJY-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccsc1Br)c1ccco1 ZINC000623487665 1126966170 /nfs/dbraw/zinc/96/61/70/1126966170.db2.gz LXZRROVOHJKZEM-NSHDSACASA-N 1 2 330.247 3.971 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]Cc3ccc(C4CC4)cc3F)nn2)cc1 ZINC000623530034 1126977056 /nfs/dbraw/zinc/97/70/56/1126977056.db2.gz KJBUPRDSDIVNLX-UHFFFAOYSA-N 1 2 340.377 3.713 20 0 EHADLO Cc1ccc([C@@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC000177196083 1126978969 /nfs/dbraw/zinc/97/89/69/1126978969.db2.gz PXBPTMOQBUAQFY-QZTJIDSGSA-N 1 2 346.833 3.697 20 0 EHADLO COc1ncc(Br)cc1C[NH2+]Cc1cscc1Cl ZINC000623664993 1127009122 /nfs/dbraw/zinc/00/91/22/1127009122.db2.gz UXTWEHNDAOOFDD-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000623670621 1127010255 /nfs/dbraw/zinc/01/02/55/1127010255.db2.gz ZNRTZGPSYRUBBJ-AWEZNQCLSA-N 1 2 334.366 3.655 20 0 EHADLO Cc1cc(C(F)F)oc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000623670621 1127010258 /nfs/dbraw/zinc/01/02/58/1127010258.db2.gz ZNRTZGPSYRUBBJ-AWEZNQCLSA-N 1 2 334.366 3.655 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000179279514 1127054194 /nfs/dbraw/zinc/05/41/94/1127054194.db2.gz RGFAOVJECWBFQH-GOSISDBHSA-N 1 2 325.456 3.764 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C)n1C1CC1)c1ccccc1OC(F)F ZINC000179714843 1127083400 /nfs/dbraw/zinc/08/34/00/1127083400.db2.gz QZAUALIGGISDGD-CQSZACIVSA-N 1 2 336.386 3.764 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000179860065 1127096789 /nfs/dbraw/zinc/09/67/89/1127096789.db2.gz ZCGQWKPNODMAEQ-OAHLLOKOSA-N 1 2 344.365 3.742 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179919112 1127099819 /nfs/dbraw/zinc/09/98/19/1127099819.db2.gz MKIIYDTWXXPYDX-NSHDSACASA-N 1 2 335.375 3.627 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc4c(c3)[C@H](C)CC(=O)N4C)n2c1 ZINC000623791252 1127164077 /nfs/dbraw/zinc/16/40/77/1127164077.db2.gz DUQXPEXWUVYTNU-CQSZACIVSA-N 1 2 334.423 3.725 20 0 EHADLO C[C@H](CN[C@H]1CCCc2scnc21)[N@@H+]1CCc2ccccc2C1 ZINC000623875569 1127203728 /nfs/dbraw/zinc/20/37/28/1127203728.db2.gz OBUIHYZMEQRTFG-PBHICJAKSA-N 1 2 327.497 3.557 20 0 EHADLO C[C@H](CN[C@H]1CCCc2scnc21)[N@H+]1CCc2ccccc2C1 ZINC000623875569 1127203730 /nfs/dbraw/zinc/20/37/30/1127203730.db2.gz OBUIHYZMEQRTFG-PBHICJAKSA-N 1 2 327.497 3.557 20 0 EHADLO Cc1ccc(C(C)(C)C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)nc1 ZINC000624112237 1127253609 /nfs/dbraw/zinc/25/36/09/1127253609.db2.gz QPDIXJIHGCJMTI-KRWDZBQOSA-N 1 2 327.476 3.697 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000624131681 1127253814 /nfs/dbraw/zinc/25/38/14/1127253814.db2.gz VEIVYJMZQRKSSK-RTBURBONSA-N 1 2 349.478 3.751 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)c(Br)c2)s1 ZINC000355370514 1127284200 /nfs/dbraw/zinc/28/42/00/1127284200.db2.gz SALDMMBPPBOZIM-SSDOTTSWSA-N 1 2 330.226 3.599 20 0 EHADLO Clc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc(Cl)n1 ZINC000083414031 1127294527 /nfs/dbraw/zinc/29/45/27/1127294527.db2.gz MBDNRJHTRAXLQW-AWEZNQCLSA-N 1 2 345.270 3.548 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182317791 1127322927 /nfs/dbraw/zinc/32/29/27/1127322927.db2.gz OPCBDRZGRMFBRT-HXUWFJFHSA-N 1 2 329.415 3.806 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182317791 1127322931 /nfs/dbraw/zinc/32/29/31/1127322931.db2.gz OPCBDRZGRMFBRT-HXUWFJFHSA-N 1 2 329.415 3.806 20 0 EHADLO CC(C)OCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000182332786 1127324066 /nfs/dbraw/zinc/32/40/66/1127324066.db2.gz YYNQDRDYHBURSF-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO CC(C)OCCCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000182332786 1127324071 /nfs/dbraw/zinc/32/40/71/1127324071.db2.gz YYNQDRDYHBURSF-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1c(C)noc1C ZINC000182478299 1127331633 /nfs/dbraw/zinc/33/16/33/1127331633.db2.gz QHSXLNNCOUNMGO-KRWDZBQOSA-N 1 2 328.391 3.857 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)c1 ZINC000182521932 1127334735 /nfs/dbraw/zinc/33/47/35/1127334735.db2.gz HONAXXZMFCEVNI-CYBMUJFWSA-N 1 2 336.395 3.546 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)c1nccn1C ZINC000182702898 1127344305 /nfs/dbraw/zinc/34/43/05/1127344305.db2.gz BLPURNRKVKGWBS-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000182797228 1127348555 /nfs/dbraw/zinc/34/85/55/1127348555.db2.gz HDMMAYAEKZHOMU-KRWDZBQOSA-N 1 2 330.815 3.784 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000186143624 1127350930 /nfs/dbraw/zinc/35/09/30/1127350930.db2.gz JNLOLPWVVOKQPP-KOLCDFICSA-N 1 2 348.256 3.742 20 0 EHADLO COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182883007 1127352108 /nfs/dbraw/zinc/35/21/08/1127352108.db2.gz DZLMONGMCCHOEA-JKSUJKDBSA-N 1 2 341.455 3.531 20 0 EHADLO OC[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000182930762 1127354774 /nfs/dbraw/zinc/35/47/74/1127354774.db2.gz KMWPAXBWGSWBPR-QGZVFWFLSA-N 1 2 328.799 3.818 20 0 EHADLO CC(C)c1cnc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)s1 ZINC000183074045 1127361352 /nfs/dbraw/zinc/36/13/52/1127361352.db2.gz SUEGKDDGWOHVHI-OAHLLOKOSA-N 1 2 330.501 3.540 20 0 EHADLO CC(C)c1cnc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)s1 ZINC000183074027 1127361408 /nfs/dbraw/zinc/36/14/08/1127361408.db2.gz SUEGKDDGWOHVHI-HNNXBMFYSA-N 1 2 330.501 3.540 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)c(F)cc2Br)cc[nH+]1 ZINC001127726637 1127397158 /nfs/dbraw/zinc/39/71/58/1127397158.db2.gz BCOMGFZGSUDNNY-UHFFFAOYSA-N 1 2 343.583 3.619 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184445825 1127404682 /nfs/dbraw/zinc/40/46/82/1127404682.db2.gz RZTKKALFMSDFLW-CQSZACIVSA-N 1 2 345.512 3.716 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)cs1 ZINC000184727843 1127411854 /nfs/dbraw/zinc/41/18/54/1127411854.db2.gz SGWQRNVMXDSQIQ-SLTAFYQDSA-N 1 2 349.544 3.926 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@H](CC)c1nccs1)c1ccccc1 ZINC000185106364 1127420781 /nfs/dbraw/zinc/42/07/81/1127420781.db2.gz VFMIVSJTRHNLOR-CVEARBPZSA-N 1 2 331.485 3.841 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c1 ZINC000185376485 1127425592 /nfs/dbraw/zinc/42/55/92/1127425592.db2.gz PWUIWYRHUGKAJQ-HNNXBMFYSA-N 1 2 334.416 3.618 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000193469468 1127437874 /nfs/dbraw/zinc/43/78/74/1127437874.db2.gz VQCZVRJUWLJHEY-HNNXBMFYSA-N 1 2 345.512 3.709 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000193469468 1127437876 /nfs/dbraw/zinc/43/78/76/1127437876.db2.gz VQCZVRJUWLJHEY-HNNXBMFYSA-N 1 2 345.512 3.709 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000193527369 1127439073 /nfs/dbraw/zinc/43/90/73/1127439073.db2.gz GFERHBKETUIRTD-OAHLLOKOSA-N 1 2 347.256 3.807 20 0 EHADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000193527369 1127439074 /nfs/dbraw/zinc/43/90/74/1127439074.db2.gz GFERHBKETUIRTD-OAHLLOKOSA-N 1 2 347.256 3.807 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000764078892 1127441889 /nfs/dbraw/zinc/44/18/89/1127441889.db2.gz UQTYUSPAGHYTNW-BJOOFOGMSA-N 1 2 348.393 3.531 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000764078892 1127441891 /nfs/dbraw/zinc/44/18/91/1127441891.db2.gz UQTYUSPAGHYTNW-BJOOFOGMSA-N 1 2 348.393 3.531 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1CC1CCCC1 ZINC000654492364 1127478394 /nfs/dbraw/zinc/47/83/94/1127478394.db2.gz LMGRDXSLLNGZOQ-KRWDZBQOSA-N 1 2 326.444 3.589 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000654524738 1127505225 /nfs/dbraw/zinc/50/52/25/1127505225.db2.gz MZWKRCYKBYEFAD-DOTOQJQBSA-N 1 2 331.847 3.769 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000764853184 1127543795 /nfs/dbraw/zinc/54/37/95/1127543795.db2.gz ILBYHMYNKFKEQG-UHFFFAOYSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000764853184 1127543798 /nfs/dbraw/zinc/54/37/98/1127543798.db2.gz ILBYHMYNKFKEQG-UHFFFAOYSA-N 1 2 326.419 3.600 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000764925827 1127553653 /nfs/dbraw/zinc/55/36/53/1127553653.db2.gz AWLLMQSKSZTCEU-CYBMUJFWSA-N 1 2 349.500 3.963 20 0 EHADLO C[C@H]1C[NH+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C[C@@H]1C ZINC000765047792 1127569275 /nfs/dbraw/zinc/56/92/75/1127569275.db2.gz BQNTYMKORVWHLL-RYUDHWBXSA-N 1 2 336.892 3.817 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000654607025 1127593682 /nfs/dbraw/zinc/59/36/82/1127593682.db2.gz PJCRTIJSPRUIKE-WMLDXEAASA-N 1 2 330.407 3.520 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2[nH+]1 ZINC000010896605 1127633304 /nfs/dbraw/zinc/63/33/04/1127633304.db2.gz UKDWMXBWVSSDNQ-UHFFFAOYSA-N 1 2 345.406 3.628 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(O)c3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000471634759 1127659073 /nfs/dbraw/zinc/65/90/73/1127659073.db2.gz LSTSJMIQLNHERV-HXUWFJFHSA-N 1 2 346.430 3.674 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(O)c3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000471634759 1127659076 /nfs/dbraw/zinc/65/90/76/1127659076.db2.gz LSTSJMIQLNHERV-HXUWFJFHSA-N 1 2 346.430 3.674 20 0 EHADLO C[C@@H](C[NH+](Cc1ccco1)Cc1ccco1)NC(=O)OC(C)(C)C ZINC000785437358 1127732261 /nfs/dbraw/zinc/73/22/61/1127732261.db2.gz KIDZFNZJIOZNIA-AWEZNQCLSA-N 1 2 334.416 3.788 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001626039686 1127768218 /nfs/dbraw/zinc/76/82/18/1127768218.db2.gz ZYUQYKUJODDTRY-KRWDZBQOSA-N 1 2 339.826 3.706 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000624288988 1127786191 /nfs/dbraw/zinc/78/61/91/1127786191.db2.gz BSIBREUNISDOAV-KMUNFCNLSA-N 1 2 340.254 3.909 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289334 1127787104 /nfs/dbraw/zinc/78/71/04/1127787104.db2.gz JKFZPOZIYPQCHI-XHDPSFHLSA-N 1 2 342.270 3.984 20 0 EHADLO Cc1nc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c(C)s1 ZINC000338540899 1127789270 /nfs/dbraw/zinc/78/92/70/1127789270.db2.gz PXVUNUFAUMBBLF-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)(F)F)s3)n2)C1 ZINC000671670107 1127814892 /nfs/dbraw/zinc/81/48/92/1127814892.db2.gz SJYWYGDPKQZVOA-SECBINFHSA-N 1 2 347.362 3.599 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(F)(F)F)s3)n2)C1 ZINC000671670107 1127814895 /nfs/dbraw/zinc/81/48/95/1127814895.db2.gz SJYWYGDPKQZVOA-SECBINFHSA-N 1 2 347.362 3.599 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3sccc3Cl)CC2)sc1C ZINC000338565424 1127816764 /nfs/dbraw/zinc/81/67/64/1127816764.db2.gz ARHARWTWDAQZLR-UHFFFAOYSA-N 1 2 327.906 3.797 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccccc1Cl ZINC000043146660 1127912936 /nfs/dbraw/zinc/91/29/36/1127912936.db2.gz NMXCPFILHLPSPP-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO Cc1cccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2)c1 ZINC000043432105 1127919919 /nfs/dbraw/zinc/91/99/19/1127919919.db2.gz GKROSKOWJJFEGZ-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO Cc1ccc(F)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043351205 1127918828 /nfs/dbraw/zinc/91/88/28/1127918828.db2.gz WPYUJRWDRDYTJI-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO Clc1cc(Nc2ccc[nH+]c2N2CCOCC2)c2ccccc2n1 ZINC001212354281 1127925953 /nfs/dbraw/zinc/92/59/53/1127925953.db2.gz MCLUJMLEYSVEFQ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438643 1127937091 /nfs/dbraw/zinc/93/70/91/1127937091.db2.gz FSMRBYBURCVXQW-ZDUSSCGKSA-N 1 2 348.393 3.741 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438643 1127937094 /nfs/dbraw/zinc/93/70/94/1127937094.db2.gz FSMRBYBURCVXQW-ZDUSSCGKSA-N 1 2 348.393 3.741 20 0 EHADLO CC(C)Oc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045717726 1127958136 /nfs/dbraw/zinc/95/81/36/1127958136.db2.gz BHSBZPNZVQTYRD-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2CCCC2)C[C@H](C)O1 ZINC000047014015 1127997918 /nfs/dbraw/zinc/99/79/18/1127997918.db2.gz PFMVCKVJVZOVRN-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2CCCC2)C[C@H](C)O1 ZINC000047014015 1127997921 /nfs/dbraw/zinc/99/79/21/1127997921.db2.gz PFMVCKVJVZOVRN-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CCCC2)C[C@@H](C)O1 ZINC000047014019 1127998036 /nfs/dbraw/zinc/99/80/36/1127998036.db2.gz PFMVCKVJVZOVRN-HZPDHXFCSA-N 1 2 345.487 3.608 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249499 1128004159 /nfs/dbraw/zinc/00/41/59/1128004159.db2.gz ZMARUKIRMUXDKH-FQEVSTJZSA-N 1 2 331.419 3.813 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047240156 1128004368 /nfs/dbraw/zinc/00/43/68/1128004368.db2.gz KKZPZJQHQXVQRU-KRWDZBQOSA-N 1 2 333.435 3.683 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC=C(c4ccco4)C3)nc(N)c2c1C ZINC000671698381 1128005144 /nfs/dbraw/zinc/00/51/44/1128005144.db2.gz NNTKHPWXXIMHBJ-UHFFFAOYSA-N 1 2 340.452 3.773 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC=C(c4ccco4)C3)nc(N)c2c1C ZINC000671698381 1128005149 /nfs/dbraw/zinc/00/51/49/1128005149.db2.gz NNTKHPWXXIMHBJ-UHFFFAOYSA-N 1 2 340.452 3.773 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000056444666 1128019340 /nfs/dbraw/zinc/01/93/40/1128019340.db2.gz KXTJSDCHDSEOOP-MRXNPFEDSA-N 1 2 343.496 3.645 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccs3)no2)ccn1 ZINC000347523039 1128035299 /nfs/dbraw/zinc/03/52/99/1128035299.db2.gz AZSRBWMYUUFXJA-MNOVXSKESA-N 1 2 330.413 3.614 20 0 EHADLO Fc1cc(Nc2ccc[nH+]c2N2CCOCC2)c(F)cc1Cl ZINC001212366479 1128041845 /nfs/dbraw/zinc/04/18/45/1128041845.db2.gz PHYDHCSJYZWXSI-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057373016 1128045717 /nfs/dbraw/zinc/04/57/17/1128045717.db2.gz TWHLJEKEFVLSMI-OAHLLOKOSA-N 1 2 340.427 3.778 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000057375616 1128045816 /nfs/dbraw/zinc/04/58/16/1128045816.db2.gz HYXYKGWKJYHDMU-QGZVFWFLSA-N 1 2 328.460 3.750 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1cccs1 ZINC000057394066 1128046987 /nfs/dbraw/zinc/04/69/87/1128046987.db2.gz VGLYIMYLDFGYFS-CQSZACIVSA-N 1 2 332.473 3.642 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000057485130 1128051483 /nfs/dbraw/zinc/05/14/83/1128051483.db2.gz FZWDDTZIAMORLO-HNNXBMFYSA-N 1 2 342.443 3.883 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(SC2CCCC2)cc1 ZINC000058108073 1128063373 /nfs/dbraw/zinc/06/33/73/1128063373.db2.gz MNKUMTHMGWKHAO-UHFFFAOYSA-N 1 2 330.457 3.740 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccccc2Cl)c1C ZINC000058958580 1128086208 /nfs/dbraw/zinc/08/62/08/1128086208.db2.gz XWIFXNPVCLKDDO-UHFFFAOYSA-N 1 2 332.831 3.562 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)sc1C ZINC000060440007 1128101551 /nfs/dbraw/zinc/10/15/51/1128101551.db2.gz GSXGNFAURMEMMY-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000060463141 1128102415 /nfs/dbraw/zinc/10/24/15/1128102415.db2.gz LJBVAGWHACVIPV-UHFFFAOYSA-N 1 2 336.888 3.728 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cn4c(cccc4C)n3)CC2)c1C ZINC000060843542 1128114286 /nfs/dbraw/zinc/11/42/86/1128114286.db2.gz CLPPSOWSWIOOKV-UHFFFAOYSA-N 1 2 334.467 3.582 20 0 EHADLO Fc1cc(CNc2ncnc3sccc32)ccc1-n1cc[nH+]c1 ZINC000063254601 1128140641 /nfs/dbraw/zinc/14/06/41/1128140641.db2.gz ZDHHKOVXJQNQCJ-UHFFFAOYSA-N 1 2 325.372 3.628 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccco1 ZINC000347618702 1128147665 /nfs/dbraw/zinc/14/76/65/1128147665.db2.gz XOMRKXCCRJEHRP-HOTGVXAUSA-N 1 2 330.428 3.509 20 0 EHADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)C(C)C ZINC000065446821 1128190557 /nfs/dbraw/zinc/19/05/57/1128190557.db2.gz BWSHJEUUDXNWGX-INIZCTEOSA-N 1 2 328.460 3.507 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1F ZINC000067680547 1128246740 /nfs/dbraw/zinc/24/67/40/1128246740.db2.gz KERWBOUJLWSBTH-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000068420126 1128266243 /nfs/dbraw/zinc/26/62/43/1128266243.db2.gz SZCJTODOFWTQTN-UONOGXRCSA-N 1 2 343.393 3.759 20 0 EHADLO CCc1nc(C[NH+]2CCC(c3c[nH]c4ccc(OC)cc43)CC2)no1 ZINC000067459668 1128241167 /nfs/dbraw/zinc/24/11/67/1128241167.db2.gz QRNZKKKVQGMPKK-UHFFFAOYSA-N 1 2 340.427 3.502 20 0 EHADLO Cc1c(F)cccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000072603856 1128302623 /nfs/dbraw/zinc/30/26/23/1128302623.db2.gz MOFLUHAEEVWSOZ-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000073565986 1128325311 /nfs/dbraw/zinc/32/53/11/1128325311.db2.gz BFOXAPLIDXOEPZ-FQEVSTJZSA-N 1 2 340.471 3.653 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715359 1128327652 /nfs/dbraw/zinc/32/76/52/1128327652.db2.gz UPVNPUFCOTZUGF-FUHWJXTLSA-N 1 2 344.503 3.661 20 0 EHADLO CCSc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000073990959 1128333120 /nfs/dbraw/zinc/33/31/20/1128333120.db2.gz ANYBZDBJPJBDFX-UHFFFAOYSA-N 1 2 344.484 3.696 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(F)(F)F ZINC000624528050 1128387152 /nfs/dbraw/zinc/38/71/52/1128387152.db2.gz ATZWNCMOEHHNPU-NSHDSACASA-N 1 2 349.422 3.902 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C(F)F)o1 ZINC000624528266 1128387171 /nfs/dbraw/zinc/38/71/71/1128387171.db2.gz LUJSFEVGSTXCES-UHFFFAOYSA-N 1 2 341.383 3.912 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)Cn1cc[nH+]c1 ZINC000153504305 1128436004 /nfs/dbraw/zinc/43/60/04/1128436004.db2.gz CVRQTDNMIJDOHV-ZDUSSCGKSA-N 1 2 343.427 3.817 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3(c4ccccn4)CC3)cc2)[nH+]c1C ZINC000921655836 1128437424 /nfs/dbraw/zinc/43/74/24/1128437424.db2.gz SOABCMVPMCOKHW-UHFFFAOYSA-N 1 2 332.407 3.759 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)cc2)[nH+]c1C ZINC000921661978 1128441222 /nfs/dbraw/zinc/44/12/22/1128441222.db2.gz KFPBPKASHLAXEY-GTNSWQLSSA-N 1 2 325.412 3.637 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3c4c[nH]nc4CC[C@H]3C)cc2)[nH+]c1C ZINC000921668461 1128448626 /nfs/dbraw/zinc/44/86/26/1128448626.db2.gz QISAOFASHNLUQU-ZMZPIMSZSA-N 1 2 349.438 3.721 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)ccn12 ZINC000655162439 1128471544 /nfs/dbraw/zinc/47/15/44/1128471544.db2.gz NNJGJAZQYMCRQI-FQEVSTJZSA-N 1 2 337.398 3.586 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4ccccc4F)C3)ccc2[nH+]1 ZINC000265709753 1128485737 /nfs/dbraw/zinc/48/57/37/1128485737.db2.gz LCMOPBSFURHQCI-AWEZNQCLSA-N 1 2 338.386 3.803 20 0 EHADLO CC(=O)n1ncc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC001212419596 1128488059 /nfs/dbraw/zinc/48/80/59/1128488059.db2.gz SMZZFOVQOSCIDK-UHFFFAOYSA-N 1 2 331.379 3.685 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4sccc4[C@@H]3C)ccc2[nH+]1 ZINC000265718817 1128528575 /nfs/dbraw/zinc/52/85/75/1128528575.db2.gz NZANWWGGXBEKLR-LBPRGKRZSA-N 1 2 326.425 3.855 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899787 1128535837 /nfs/dbraw/zinc/53/58/37/1128535837.db2.gz YVMWIAVCKJAHKE-INIZCTEOSA-N 1 2 349.434 3.588 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899787 1128535838 /nfs/dbraw/zinc/53/58/38/1128535838.db2.gz YVMWIAVCKJAHKE-INIZCTEOSA-N 1 2 349.434 3.588 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cc(Cl)ccc3N)c[nH+]2)C[C@H](C)O1 ZINC001212427737 1128560035 /nfs/dbraw/zinc/56/00/35/1128560035.db2.gz ZOOVSGYJGIRNHL-TXEJJXNPSA-N 1 2 332.835 3.674 20 0 EHADLO CC[C@@H](C)Cc1c(C)sc2[nH]c(Cc3c[nH+]cn3C)nc(=O)c12 ZINC000542691505 1128540256 /nfs/dbraw/zinc/54/02/56/1128540256.db2.gz UXIMPSALJVNLOW-SNVBAGLBSA-N 1 2 330.457 3.618 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 ZINC000056202003 1128547392 /nfs/dbraw/zinc/54/73/92/1128547392.db2.gz JIMFVPDGPAIVQC-HXUWFJFHSA-N 1 2 349.409 3.999 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N(CC1CCCCC1)C1CC1 ZINC000056874090 1128593468 /nfs/dbraw/zinc/59/34/68/1128593468.db2.gz JMENJCCNQQETFV-UHFFFAOYSA-N 1 2 330.476 3.638 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+](CC3CC3)C(C)C)s2)cc1 ZINC000542801657 1128638325 /nfs/dbraw/zinc/63/83/25/1128638325.db2.gz LZQISBKZENXQQY-UHFFFAOYSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+](CC3CC3)C(C)C)s2)cc1 ZINC000542801657 1128638327 /nfs/dbraw/zinc/63/83/27/1128638327.db2.gz LZQISBKZENXQQY-UHFFFAOYSA-N 1 2 344.484 3.719 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3noc4c3CCCC4)CC2)c(F)c1 ZINC000108854466 1128669271 /nfs/dbraw/zinc/66/92/71/1128669271.db2.gz VAWPHGVAXNJMKI-UHFFFAOYSA-N 1 2 348.393 3.875 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)cs1 ZINC000150915904 1128677575 /nfs/dbraw/zinc/67/75/75/1128677575.db2.gz IEHTVSYPAVIOLN-QGZVFWFLSA-N 1 2 332.469 3.608 20 0 EHADLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000060493716 1128734353 /nfs/dbraw/zinc/73/43/53/1128734353.db2.gz CDNWDVGERZXHHH-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C(C)C)c1 ZINC000624799188 1128756650 /nfs/dbraw/zinc/75/66/50/1128756650.db2.gz RNJJBYDTUQFXLL-SFHVURJKSA-N 1 2 328.460 3.620 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000354609024 1128761711 /nfs/dbraw/zinc/76/17/11/1128761711.db2.gz VTVQDVSCPOIRAB-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000354609024 1128761713 /nfs/dbraw/zinc/76/17/13/1128761713.db2.gz VTVQDVSCPOIRAB-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921808273 1128781042 /nfs/dbraw/zinc/78/10/42/1128781042.db2.gz WLEIMNMRJKPBGM-UHFFFAOYSA-N 1 2 345.752 3.971 20 0 EHADLO C[C@]1(CNc2cc(N3CCSCC3)nc[nH+]2)C[C@H]1c1ccccc1 ZINC000338734270 1128784157 /nfs/dbraw/zinc/78/41/57/1128784157.db2.gz AJDNZRHBFDGLPM-QFBILLFUSA-N 1 2 340.496 3.636 20 0 EHADLO C[C@]1(CNc2cc(N3CCSCC3)[nH+]cn2)C[C@H]1c1ccccc1 ZINC000338734270 1128784159 /nfs/dbraw/zinc/78/41/59/1128784159.db2.gz AJDNZRHBFDGLPM-QFBILLFUSA-N 1 2 340.496 3.636 20 0 EHADLO FCCn1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cn1 ZINC000921842569 1128808665 /nfs/dbraw/zinc/80/86/65/1128808665.db2.gz YKNRDDFRISKVAR-UHFFFAOYSA-N 1 2 328.218 3.938 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)[nH+]c12 ZINC000074582434 1128815746 /nfs/dbraw/zinc/81/57/46/1128815746.db2.gz OSZHZVMHGTUNRJ-ZDUSSCGKSA-N 1 2 341.377 3.621 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000006911874 1128831141 /nfs/dbraw/zinc/83/11/41/1128831141.db2.gz FISKATSQZAGKGG-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000006911874 1128831145 /nfs/dbraw/zinc/83/11/45/1128831145.db2.gz FISKATSQZAGKGG-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO FC(F)Oc1cc2c(cc1CNc1cc3cc[nH]c3c[nH+]1)OCO2 ZINC000672234980 1128866402 /nfs/dbraw/zinc/86/64/02/1128866402.db2.gz SNPRSIPBVLPVQJ-UHFFFAOYSA-N 1 2 333.294 3.505 20 0 EHADLO c1cn(CCOc2ccccc2NCc2cccc3c2OCC3)c[nH+]1 ZINC000921881241 1128872441 /nfs/dbraw/zinc/87/24/41/1128872441.db2.gz PTQCLFBQNQQYLM-UHFFFAOYSA-N 1 2 335.407 3.509 20 0 EHADLO CC1(C)CCC[C@@H]1CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001687138579 1120022864 /nfs/dbraw/zinc/02/28/64/1120022864.db2.gz ICNSTDCDDQYHHZ-QGZVFWFLSA-N 1 2 349.544 3.792 20 0 EHADLO COc1ccc(C)cc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC001648841237 1120051978 /nfs/dbraw/zinc/05/19/78/1120051978.db2.gz CRQHVPMHNGVUKD-UHFFFAOYSA-N 1 2 326.440 3.577 20 0 EHADLO CC(C)=CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000228875161 1120243986 /nfs/dbraw/zinc/24/39/86/1120243986.db2.gz VKYPPNSXORJKIR-UHFFFAOYSA-N 1 2 349.066 3.973 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000245548666 1120331044 /nfs/dbraw/zinc/33/10/44/1120331044.db2.gz YDCXHULIDLHJQE-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000245548666 1120331049 /nfs/dbraw/zinc/33/10/49/1120331049.db2.gz YDCXHULIDLHJQE-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000185585598 1120420328 /nfs/dbraw/zinc/42/03/28/1120420328.db2.gz DNXCBKLFYHLADI-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000185585598 1120420331 /nfs/dbraw/zinc/42/03/31/1120420331.db2.gz DNXCBKLFYHLADI-GFCCVEGCSA-N 1 2 329.362 3.658 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(Cl)cc2)CC1)Nc1nccs1 ZINC000185797869 1120429481 /nfs/dbraw/zinc/42/94/81/1120429481.db2.gz SHAYLMPBDAKVGQ-UHFFFAOYSA-N 1 2 335.860 3.615 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H](C)c1ccccc1 ZINC000186431467 1120460797 /nfs/dbraw/zinc/46/07/97/1120460797.db2.gz GFIXDFPCXPJBBU-HZPDHXFCSA-N 1 2 336.439 3.666 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168695380 1128920793 /nfs/dbraw/zinc/92/07/93/1128920793.db2.gz YSVYOURZLZBOKO-VQIMIIECSA-N 1 2 343.854 3.571 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2cncc(F)c2)c1 ZINC000494560696 1120594654 /nfs/dbraw/zinc/59/46/54/1120594654.db2.gz ZBGYENOQOLWGLT-UHFFFAOYSA-N 1 2 342.443 3.921 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2cncc(F)c2)c1 ZINC000494560696 1120594658 /nfs/dbraw/zinc/59/46/58/1120594658.db2.gz ZBGYENOQOLWGLT-UHFFFAOYSA-N 1 2 342.443 3.921 20 0 EHADLO Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1Br ZINC000190316778 1120632975 /nfs/dbraw/zinc/63/29/75/1120632975.db2.gz OCPJCAKJUVITJF-UHFFFAOYSA-N 1 2 344.256 3.934 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153112004 1120690575 /nfs/dbraw/zinc/69/05/75/1120690575.db2.gz GNMYGJCCUHSTHY-GFCCVEGCSA-N 1 2 328.551 3.803 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000153112004 1120690577 /nfs/dbraw/zinc/69/05/77/1120690577.db2.gz GNMYGJCCUHSTHY-GFCCVEGCSA-N 1 2 328.551 3.803 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000355731084 1128934036 /nfs/dbraw/zinc/93/40/36/1128934036.db2.gz NEWNTOSQGDOUBY-UHFFFAOYSA-N 1 2 337.398 3.710 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000355731084 1128934040 /nfs/dbraw/zinc/93/40/40/1128934040.db2.gz NEWNTOSQGDOUBY-UHFFFAOYSA-N 1 2 337.398 3.710 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000192687767 1120742982 /nfs/dbraw/zinc/74/29/82/1120742982.db2.gz SWDBIRCFKCPERF-PXTSUWAFSA-N 1 2 349.356 3.686 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000355911724 1128939229 /nfs/dbraw/zinc/93/92/29/1128939229.db2.gz MRLUDIJUUMLURB-QGZVFWFLSA-N 1 2 347.340 3.915 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000355911724 1128939231 /nfs/dbraw/zinc/93/92/31/1128939231.db2.gz MRLUDIJUUMLURB-QGZVFWFLSA-N 1 2 347.340 3.915 20 0 EHADLO CCCN(CCC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193604977 1120787590 /nfs/dbraw/zinc/78/75/90/1120787590.db2.gz UEUOYNOQUNVXDR-CALCHBBNSA-N 1 2 347.503 3.950 20 0 EHADLO CCCN(CCC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193604977 1120787595 /nfs/dbraw/zinc/78/75/95/1120787595.db2.gz UEUOYNOQUNVXDR-CALCHBBNSA-N 1 2 347.503 3.950 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(C)cc3F)CCC2)n1 ZINC000494803545 1120843119 /nfs/dbraw/zinc/84/31/19/1120843119.db2.gz GEMOKKOBWBFAKS-UHFFFAOYSA-N 1 2 333.432 3.507 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000194947306 1120872272 /nfs/dbraw/zinc/87/22/72/1120872272.db2.gz RJQMXBMDTNFHOU-HUUCEWRRSA-N 1 2 331.213 3.895 20 0 EHADLO CC(C)C[N@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CC1 ZINC000914566847 1120902190 /nfs/dbraw/zinc/90/21/90/1120902190.db2.gz LSPPRFQTJMLWLD-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CC(C)C[N@@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CC1 ZINC000914566847 1120902193 /nfs/dbraw/zinc/90/21/93/1120902193.db2.gz LSPPRFQTJMLWLD-UHFFFAOYSA-N 1 2 349.548 3.817 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)cc1F ZINC000494984870 1120922742 /nfs/dbraw/zinc/92/27/42/1120922742.db2.gz HGNQRFSBMMQRDT-UHFFFAOYSA-N 1 2 349.475 3.620 20 0 EHADLO c1nnc([C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)C2CCCCC2)[nH]1 ZINC000495062513 1120943710 /nfs/dbraw/zinc/94/37/10/1120943710.db2.gz WJPPPGFXSVKXID-SFHVURJKSA-N 1 2 341.459 3.542 20 0 EHADLO Nc1cc(N[C@@H](c2ccccn2)C(F)(F)F)[nH+]c(C(F)(F)F)c1 ZINC001168477110 1120949467 /nfs/dbraw/zinc/94/94/67/1120949467.db2.gz IDDMCTUEHDQITO-NSHDSACASA-N 1 2 336.239 3.793 20 0 EHADLO CC(C)Cn1ncc(NC2CCN(c3cccc[nH+]3)CC2)c1C(F)F ZINC000495108944 1120958585 /nfs/dbraw/zinc/95/85/85/1120958585.db2.gz NKIFGPKOXVNFFF-UHFFFAOYSA-N 1 2 349.429 3.953 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](C)CCCCc1ccccc1 ZINC000495166989 1120975762 /nfs/dbraw/zinc/97/57/62/1120975762.db2.gz YEQSSNXYLOOURO-UHFFFAOYSA-N 1 2 336.277 3.637 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](C)CCCCc1ccccc1 ZINC000495166989 1120975767 /nfs/dbraw/zinc/97/57/67/1120975767.db2.gz YEQSSNXYLOOURO-UHFFFAOYSA-N 1 2 336.277 3.637 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000762118991 1121111565 /nfs/dbraw/zinc/11/15/65/1121111565.db2.gz IHTNIGXIQQBHOW-QGZVFWFLSA-N 1 2 332.806 3.842 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000762118991 1121111575 /nfs/dbraw/zinc/11/15/75/1121111575.db2.gz IHTNIGXIQQBHOW-QGZVFWFLSA-N 1 2 332.806 3.842 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000762138335 1121126279 /nfs/dbraw/zinc/12/62/79/1121126279.db2.gz MAKGLFDAPJWZQF-AWEZNQCLSA-N 1 2 328.485 3.840 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000762138335 1121126280 /nfs/dbraw/zinc/12/62/80/1121126280.db2.gz MAKGLFDAPJWZQF-AWEZNQCLSA-N 1 2 328.485 3.840 20 0 EHADLO Cc1cnc(C2CC[NH+](CN3C[C@@H](CC(C)(C)C)CC3=O)CC2)s1 ZINC000762170605 1121141857 /nfs/dbraw/zinc/14/18/57/1121141857.db2.gz OLGYXDBTFZWBEN-OAHLLOKOSA-N 1 2 349.544 3.873 20 0 EHADLO CC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540931 1121158403 /nfs/dbraw/zinc/15/84/03/1121158403.db2.gz UJFSUWBSKQGFNH-IUODEOHRSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540931 1121158405 /nfs/dbraw/zinc/15/84/05/1121158405.db2.gz UJFSUWBSKQGFNH-IUODEOHRSA-N 1 2 326.843 3.606 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)cnc1Br ZINC000929860025 1121161759 /nfs/dbraw/zinc/16/17/59/1121161759.db2.gz FAIFMEDOZSIBJW-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)cnc1Br ZINC000929860025 1121161764 /nfs/dbraw/zinc/16/17/64/1121161764.db2.gz FAIFMEDOZSIBJW-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO CN(C)c1nc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000157119582 1128973905 /nfs/dbraw/zinc/97/39/05/1128973905.db2.gz GJBNHEHGUOVVDE-OAHLLOKOSA-N 1 2 329.469 3.745 20 0 EHADLO O=C(CCc1cccc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053695475 1121403784 /nfs/dbraw/zinc/40/37/84/1121403784.db2.gz RMDYPTWKXSRLLP-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C1CC1 ZINC000915465743 1121418141 /nfs/dbraw/zinc/41/81/41/1121418141.db2.gz IYQBFCWDSKAHFW-VXGBXAGGSA-N 1 2 334.464 3.920 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000495854050 1121546714 /nfs/dbraw/zinc/54/67/14/1121546714.db2.gz CVINLDWXJGMBMK-UKRRQHHQSA-N 1 2 346.475 3.544 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1cccc(COc2ccccc2)c1 ZINC000054837162 1121779904 /nfs/dbraw/zinc/77/99/04/1121779904.db2.gz DUNGOECPWXSOCP-UHFFFAOYSA-N 1 2 345.406 3.554 20 0 EHADLO CCOc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000055190835 1121802736 /nfs/dbraw/zinc/80/27/36/1121802736.db2.gz REVVHJSAIKPAKE-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696873 1121858552 /nfs/dbraw/zinc/85/85/52/1121858552.db2.gz RGNXITIOTDRMGO-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000916015000 1122021010 /nfs/dbraw/zinc/02/10/10/1122021010.db2.gz UJKGVMLFVGKIFN-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO CNC(=O)Oc1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000496550145 1122122808 /nfs/dbraw/zinc/12/28/08/1122122808.db2.gz PMWITEOAQYXJME-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CCc1cnc(C[N@@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)o1 ZINC000496816883 1122190052 /nfs/dbraw/zinc/19/00/52/1122190052.db2.gz QAVZKYQGEWDZQK-UHFFFAOYSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cnc(C[N@H+]2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)o1 ZINC000496816883 1122190054 /nfs/dbraw/zinc/19/00/54/1122190054.db2.gz QAVZKYQGEWDZQK-UHFFFAOYSA-N 1 2 349.475 3.506 20 0 EHADLO CCc1cc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000124420733 1122284151 /nfs/dbraw/zinc/28/41/51/1122284151.db2.gz NQQHBFXCYKLUJC-UHFFFAOYSA-N 1 2 341.455 3.856 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126258000 1122397417 /nfs/dbraw/zinc/39/74/17/1122397417.db2.gz NAVWZFFAGCWWQO-SFHVURJKSA-N 1 2 333.453 3.599 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126258000 1122397421 /nfs/dbraw/zinc/39/74/21/1122397421.db2.gz NAVWZFFAGCWWQO-SFHVURJKSA-N 1 2 333.453 3.599 20 0 EHADLO COc1cc(C[N@H+](C)CN2C(=O)[C@@H]3CCCCC[C@@H]32)ccc1SC ZINC000749950740 1122433067 /nfs/dbraw/zinc/43/30/67/1122433067.db2.gz VWXOFWLJRVPJSA-CVEARBPZSA-N 1 2 348.512 3.598 20 0 EHADLO COc1cc(C[N@@H+](C)CN2C(=O)[C@@H]3CCCCC[C@@H]32)ccc1SC ZINC000749950740 1122433069 /nfs/dbraw/zinc/43/30/69/1122433069.db2.gz VWXOFWLJRVPJSA-CVEARBPZSA-N 1 2 348.512 3.598 20 0 EHADLO CC(C)Oc1cccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000066023686 1122452371 /nfs/dbraw/zinc/45/23/71/1122452371.db2.gz VHMMSOWXMNFVCF-UHFFFAOYSA-N 1 2 335.407 3.841 20 0 EHADLO C[C@H](CCC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000127409055 1122482609 /nfs/dbraw/zinc/48/26/09/1122482609.db2.gz UZVBDPLGACDGBJ-QGZVFWFLSA-N 1 2 342.508 3.976 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c(Cl)c1 ZINC000127817355 1122509237 /nfs/dbraw/zinc/50/92/37/1122509237.db2.gz YAUXZEYWEDGYPU-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c(Cl)c1 ZINC000127817355 1122509241 /nfs/dbraw/zinc/50/92/41/1122509241.db2.gz YAUXZEYWEDGYPU-AWEZNQCLSA-N 1 2 331.847 3.983 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000154333629 1122559114 /nfs/dbraw/zinc/55/91/14/1122559114.db2.gz DKESOORORJCGTD-IAGOWNOFSA-N 1 2 345.414 3.843 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000154333629 1122559117 /nfs/dbraw/zinc/55/91/17/1122559117.db2.gz DKESOORORJCGTD-IAGOWNOFSA-N 1 2 345.414 3.843 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC000497566730 1122593188 /nfs/dbraw/zinc/59/31/88/1122593188.db2.gz APJCVERGESHWTH-CYBMUJFWSA-N 1 2 340.254 3.787 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccccc1NC(C)=O ZINC000128905987 1122692072 /nfs/dbraw/zinc/69/20/72/1122692072.db2.gz OGHXFQDOHCDIRV-UHFFFAOYSA-N 1 2 326.375 3.766 20 0 EHADLO CC(C)[C@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000498116513 1122772040 /nfs/dbraw/zinc/77/20/40/1122772040.db2.gz YSVCPZGCEFAXSH-HNNXBMFYSA-N 1 2 339.443 3.554 20 0 EHADLO O=C(Nc1ccc(O)c(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000129522132 1122794191 /nfs/dbraw/zinc/79/41/91/1122794191.db2.gz WLAMITXACBUKTA-MRXNPFEDSA-N 1 2 348.805 3.788 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000130014152 1122866475 /nfs/dbraw/zinc/86/64/75/1122866475.db2.gz PUEWBWKRYYYNAA-LSDHHAIUSA-N 1 2 346.471 3.896 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)c(Cl)[nH]1 ZINC000918663572 1122878195 /nfs/dbraw/zinc/87/81/95/1122878195.db2.gz RSXISBADYQXMRS-UHFFFAOYSA-N 1 2 339.157 3.899 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)no1 ZINC000556241024 1122892061 /nfs/dbraw/zinc/89/20/61/1122892061.db2.gz MGPBCSQLGDGBQB-OXJNMPFZSA-N 1 2 349.434 3.884 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)C[C@H]3CCCCO3)c2=S)c1 ZINC000918734602 1122900961 /nfs/dbraw/zinc/90/09/61/1122900961.db2.gz BNCGDVUCBMVYNI-QGZVFWFLSA-N 1 2 331.485 3.775 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)C[C@H]3CCCCO3)c2=S)c1 ZINC000918734602 1122900965 /nfs/dbraw/zinc/90/09/65/1122900965.db2.gz BNCGDVUCBMVYNI-QGZVFWFLSA-N 1 2 331.485 3.775 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)C[C@@H]3CCCCO3)c2=S)c1 ZINC000918734600 1122900976 /nfs/dbraw/zinc/90/09/76/1122900976.db2.gz BNCGDVUCBMVYNI-KRWDZBQOSA-N 1 2 331.485 3.775 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)C[C@@H]3CCCCO3)c2=S)c1 ZINC000918734600 1122900981 /nfs/dbraw/zinc/90/09/81/1122900981.db2.gz BNCGDVUCBMVYNI-KRWDZBQOSA-N 1 2 331.485 3.775 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCSc2ccccc2)c2cnn[nH]2)cc1 ZINC000556263775 1122905252 /nfs/dbraw/zinc/90/52/52/1122905252.db2.gz ISSLLTWDBZDWGJ-SFHVURJKSA-N 1 2 342.443 3.805 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCSc2ccccc2)c2cn[nH]n2)cc1 ZINC000556263775 1122905255 /nfs/dbraw/zinc/90/52/55/1122905255.db2.gz ISSLLTWDBZDWGJ-SFHVURJKSA-N 1 2 342.443 3.805 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000130484452 1122954411 /nfs/dbraw/zinc/95/44/11/1122954411.db2.gz YUVUVWXMKOJFIK-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000130484452 1122954414 /nfs/dbraw/zinc/95/44/14/1122954414.db2.gz YUVUVWXMKOJFIK-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO CCCc1nc(C)c(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000445158324 1123022583 /nfs/dbraw/zinc/02/25/83/1123022583.db2.gz BSCVSBIYMONBOM-CYBMUJFWSA-N 1 2 347.488 3.549 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000071996556 1123031396 /nfs/dbraw/zinc/03/13/96/1123031396.db2.gz SXOCMZGDUJCVCW-HNNXBMFYSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000071996556 1123031400 /nfs/dbraw/zinc/03/14/00/1123031400.db2.gz SXOCMZGDUJCVCW-HNNXBMFYSA-N 1 2 345.361 3.545 20 0 EHADLO CCOCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000131187324 1123056948 /nfs/dbraw/zinc/05/69/48/1123056948.db2.gz JTSCFNISICUXBL-MAUKXSAKSA-N 1 2 342.443 3.535 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cccc(F)n1 ZINC001128333319 1129097683 /nfs/dbraw/zinc/09/76/83/1129097683.db2.gz MYJLYTKDDFZLLP-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO Cc1ccc([C@H](C)Nc2nc(NCCO)c3ccccc3[nH+]2)s1 ZINC000919722782 1123134342 /nfs/dbraw/zinc/13/43/42/1123134342.db2.gz OIZVGBFFKADIBI-LBPRGKRZSA-N 1 2 328.441 3.577 20 0 EHADLO CSc1ccc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000072674485 1123140959 /nfs/dbraw/zinc/14/09/59/1123140959.db2.gz FUCBCKPMLGHOCQ-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763443396 1123173880 /nfs/dbraw/zinc/17/38/80/1123173880.db2.gz WFLQUWJVDAHLLN-RTBURBONSA-N 1 2 343.467 3.902 20 0 EHADLO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763443396 1123173882 /nfs/dbraw/zinc/17/38/82/1123173882.db2.gz WFLQUWJVDAHLLN-RTBURBONSA-N 1 2 343.467 3.902 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000132199372 1123209130 /nfs/dbraw/zinc/20/91/30/1123209130.db2.gz ZTRFMXHGSUEPPT-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000132199372 1123209132 /nfs/dbraw/zinc/20/91/32/1123209132.db2.gz ZTRFMXHGSUEPPT-NSHDSACASA-N 1 2 349.887 3.602 20 0 EHADLO CCC(CC)(CC)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073712212 1123217066 /nfs/dbraw/zinc/21/70/66/1123217066.db2.gz OSUPCIXFHLLSCH-UHFFFAOYSA-N 1 2 328.460 3.699 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000132465719 1123232555 /nfs/dbraw/zinc/23/25/55/1123232555.db2.gz AWTNJCYQRZNRBL-MJGOQNOKSA-N 1 2 343.515 3.973 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000195223694 1123263403 /nfs/dbraw/zinc/26/34/03/1123263403.db2.gz BSPIAOVWSHPEKG-CYBMUJFWSA-N 1 2 339.361 3.687 20 0 EHADLO FC(F)(F)c1ccccc1OCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000195223694 1123263408 /nfs/dbraw/zinc/26/34/08/1123263408.db2.gz BSPIAOVWSHPEKG-CYBMUJFWSA-N 1 2 339.361 3.687 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466028741 1129116013 /nfs/dbraw/zinc/11/60/13/1129116013.db2.gz YKOQHWZREWUEHZ-MOPGFXCFSA-N 1 2 338.455 3.640 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827407 1123369236 /nfs/dbraw/zinc/36/92/36/1123369236.db2.gz HQTUUDDRWWKLOS-UONOGXRCSA-N 1 2 335.473 3.824 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827407 1123369241 /nfs/dbraw/zinc/36/92/41/1123369241.db2.gz HQTUUDDRWWKLOS-UONOGXRCSA-N 1 2 335.473 3.824 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920768571 1123422484 /nfs/dbraw/zinc/42/24/84/1123422484.db2.gz TZBJPOGCPLPGGN-INIZCTEOSA-N 1 2 325.412 3.782 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201169 1123478294 /nfs/dbraw/zinc/47/82/94/1123478294.db2.gz OHLCASYMKOUTKU-AEFFLSMTSA-N 1 2 326.444 3.640 20 0 EHADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000076571992 1123503153 /nfs/dbraw/zinc/50/31/53/1123503153.db2.gz OKPHLMOQGZBKKW-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000076571992 1123503155 /nfs/dbraw/zinc/50/31/55/1123503155.db2.gz OKPHLMOQGZBKKW-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000152646171 1123563766 /nfs/dbraw/zinc/56/37/66/1123563766.db2.gz RBKJHMWSZNWZGI-UHFFFAOYSA-N 1 2 331.224 3.604 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265398 1123644007 /nfs/dbraw/zinc/64/40/07/1123644007.db2.gz QRWDVKXFVLDACJ-GXTWGEPZSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000175265398 1123644010 /nfs/dbraw/zinc/64/40/10/1123644010.db2.gz QRWDVKXFVLDACJ-GXTWGEPZSA-N 1 2 334.514 3.576 20 0 EHADLO CC(C)CCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000079250520 1123680749 /nfs/dbraw/zinc/68/07/49/1123680749.db2.gz XWRMSWHKFXLCDU-IRXDYDNUSA-N 1 2 347.503 3.854 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000610127275 1123738381 /nfs/dbraw/zinc/73/83/81/1123738381.db2.gz ONCUPIZEVULBMP-HOTGVXAUSA-N 1 2 345.512 3.961 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000067992077 1123799960 /nfs/dbraw/zinc/79/99/60/1123799960.db2.gz VGFIGYGTZZAEKZ-AWEZNQCLSA-N 1 2 326.440 3.689 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245523394 1123862116 /nfs/dbraw/zinc/86/21/16/1123862116.db2.gz UWOPRFXJTHEJTP-QAQDUYKDSA-N 1 2 345.487 3.628 20 0 EHADLO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000081721900 1123882203 /nfs/dbraw/zinc/88/22/03/1123882203.db2.gz SHJGQDZQXVCRMY-UHFFFAOYSA-N 1 2 340.408 3.723 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000138361627 1123908791 /nfs/dbraw/zinc/90/87/91/1123908791.db2.gz VWXKJZRBRHPDND-OAHLLOKOSA-N 1 2 327.255 3.751 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000138361627 1123908792 /nfs/dbraw/zinc/90/87/92/1123908792.db2.gz VWXKJZRBRHPDND-OAHLLOKOSA-N 1 2 327.255 3.751 20 0 EHADLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000180048306 1123927254 /nfs/dbraw/zinc/92/72/54/1123927254.db2.gz BOJLAEPJCYGHLY-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000180048306 1123927256 /nfs/dbraw/zinc/92/72/56/1123927256.db2.gz BOJLAEPJCYGHLY-GOSISDBHSA-N 1 2 333.815 3.628 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1OC ZINC000245769605 1123949500 /nfs/dbraw/zinc/94/95/00/1123949500.db2.gz RNIPUXFYRVFFHX-LIRRHRJNSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1OC ZINC000245769605 1123949505 /nfs/dbraw/zinc/94/95/05/1123949505.db2.gz RNIPUXFYRVFFHX-LIRRHRJNSA-N 1 2 345.414 3.805 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000245823893 1123956772 /nfs/dbraw/zinc/95/67/72/1123956772.db2.gz APOBBCCJVSOEDH-FVQBIDKESA-N 1 2 329.444 3.515 20 0 EHADLO C[C@@H]1C[C@H]1[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000246116903 1124025424 /nfs/dbraw/zinc/02/54/24/1124025424.db2.gz ACQBUVIAJUFEJN-YVLXSGLVSA-N 1 2 327.819 3.826 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2F)c1C ZINC000068862376 1124038570 /nfs/dbraw/zinc/03/85/70/1124038570.db2.gz JFLWHZVZVNIBEJ-CQSZACIVSA-N 1 2 344.430 3.719 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2F)c1C ZINC000068862376 1124038576 /nfs/dbraw/zinc/03/85/76/1124038576.db2.gz JFLWHZVZVNIBEJ-CQSZACIVSA-N 1 2 344.430 3.719 20 0 EHADLO Cc1ccc2oc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2c1 ZINC000617018237 1124077889 /nfs/dbraw/zinc/07/78/89/1124077889.db2.gz KTXZQOJJULQUCA-UHFFFAOYSA-N 1 2 335.407 3.535 20 0 EHADLO CO[C@@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C12CCC2 ZINC000453178699 1129173001 /nfs/dbraw/zinc/17/30/01/1129173001.db2.gz IBSCHSKCFIEDBD-RTBURBONSA-N 1 2 335.451 3.971 20 0 EHADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000085987195 1129178615 /nfs/dbraw/zinc/17/86/15/1129178615.db2.gz WQQDGNLMNPQETI-NSHDSACASA-N 1 2 326.318 3.676 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000617250315 1124457752 /nfs/dbraw/zinc/45/77/52/1124457752.db2.gz LZBZNBJGZLMCPD-LBPRGKRZSA-N 1 2 332.835 3.558 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247076990 1124585116 /nfs/dbraw/zinc/58/51/16/1124585116.db2.gz VVUZSEFKHZHMQP-LSDHHAIUSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247076990 1124585122 /nfs/dbraw/zinc/58/51/22/1124585122.db2.gz VVUZSEFKHZHMQP-LSDHHAIUSA-N 1 2 338.835 3.716 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000248728192 1124693797 /nfs/dbraw/zinc/69/37/97/1124693797.db2.gz JFXURUMZSAYMMF-IKGGRYGDSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000248728192 1124693799 /nfs/dbraw/zinc/69/37/99/1124693799.db2.gz JFXURUMZSAYMMF-IKGGRYGDSA-N 1 2 344.282 3.804 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830488 1124704571 /nfs/dbraw/zinc/70/45/71/1124704571.db2.gz LDXPSSQQQRSJMI-UXHICEINSA-N 1 2 345.483 3.950 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830488 1124704576 /nfs/dbraw/zinc/70/45/76/1124704576.db2.gz LDXPSSQQQRSJMI-UXHICEINSA-N 1 2 345.483 3.950 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000735070915 1131306658 /nfs/dbraw/zinc/30/66/58/1131306658.db2.gz TWEFUYOZKROUNH-QFBILLFUSA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1=O ZINC000735070915 1131306662 /nfs/dbraw/zinc/30/66/62/1131306662.db2.gz TWEFUYOZKROUNH-QFBILLFUSA-N 1 2 348.874 3.856 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCSCC1 ZINC000089984080 1124880947 /nfs/dbraw/zinc/88/09/47/1124880947.db2.gz RFYTTYZEIUGJOK-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCSCC1 ZINC000089984080 1124880953 /nfs/dbraw/zinc/88/09/53/1124880953.db2.gz RFYTTYZEIUGJOK-JTQLQIEISA-N 1 2 333.284 3.759 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2ccn(C(F)F)c2c1 ZINC000617988779 1124900258 /nfs/dbraw/zinc/90/02/58/1124900258.db2.gz OOYBAPUCKVGVCL-UHFFFAOYSA-N 1 2 344.365 3.750 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)c1 ZINC000090228793 1124903184 /nfs/dbraw/zinc/90/31/84/1124903184.db2.gz JBWDBOACAJRGRH-UHFFFAOYSA-N 1 2 337.467 3.927 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C ZINC000251901612 1124954310 /nfs/dbraw/zinc/95/43/10/1124954310.db2.gz QZPDEULWUGVSTK-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C ZINC000251901612 1124954312 /nfs/dbraw/zinc/95/43/12/1124954312.db2.gz QZPDEULWUGVSTK-FIXISWKDSA-N 1 2 345.270 3.677 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000091311499 1124975899 /nfs/dbraw/zinc/97/58/99/1124975899.db2.gz IHQKMBSUFCVMIT-GOSISDBHSA-N 1 2 341.846 3.803 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2ccsc2[nH]1 ZINC000618262999 1125034922 /nfs/dbraw/zinc/03/49/22/1125034922.db2.gz KNCWWNRMJCZAPD-UHFFFAOYSA-N 1 2 326.356 3.807 20 0 EHADLO CCC1(CC)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000618670361 1125150197 /nfs/dbraw/zinc/15/01/97/1125150197.db2.gz YQFGCYAMEGAKAX-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093234375 1125209288 /nfs/dbraw/zinc/20/92/88/1125209288.db2.gz WCDYBTMQJLSFGQ-KRWDZBQOSA-N 1 2 339.483 3.557 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000093234375 1125209292 /nfs/dbraw/zinc/20/92/92/1125209292.db2.gz WCDYBTMQJLSFGQ-KRWDZBQOSA-N 1 2 339.483 3.557 20 0 EHADLO CC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@@H](C)CS(=O)(=O)CC ZINC000093414098 1125244733 /nfs/dbraw/zinc/24/47/33/1125244733.db2.gz PHDFLSRJEGABGL-ZDUSSCGKSA-N 1 2 331.547 3.691 20 0 EHADLO CC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H](C)CS(=O)(=O)CC ZINC000093414098 1125244737 /nfs/dbraw/zinc/24/47/37/1125244737.db2.gz PHDFLSRJEGABGL-ZDUSSCGKSA-N 1 2 331.547 3.691 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(F)cn1 ZINC000763521416 1125263093 /nfs/dbraw/zinc/26/30/93/1125263093.db2.gz NFHAZYRYNSFQMS-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763538260 1125327709 /nfs/dbraw/zinc/32/77/09/1125327709.db2.gz KYIJOJRLHFLZLD-NASPGAHYSA-N 1 2 337.291 3.931 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000254916628 1125352464 /nfs/dbraw/zinc/35/24/64/1125352464.db2.gz HINNUBVJIITCQH-HYXAFXHYSA-N 1 2 349.409 3.790 20 0 EHADLO CC[C@@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C)cc1 ZINC000152828082 1125385504 /nfs/dbraw/zinc/38/55/04/1125385504.db2.gz RLDKMGXHZYXNCP-HKUYNNGSSA-N 1 2 337.467 3.669 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccsc3)cn2c1 ZINC000619774229 1125402020 /nfs/dbraw/zinc/40/20/20/1125402020.db2.gz RFGCPJWUIMJRBM-CYBMUJFWSA-N 1 2 345.493 3.815 20 0 EHADLO Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)oc2c1c(C)ccc2C ZINC000153018012 1125418909 /nfs/dbraw/zinc/41/89/09/1125418909.db2.gz VNZLKHHGBSRHRL-MRXNPFEDSA-N 1 2 349.434 3.762 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619946888 1125432410 /nfs/dbraw/zinc/43/24/10/1125432410.db2.gz PQYRRBUHNWKQBD-AEFFLSMTSA-N 1 2 344.503 3.697 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000183118337 1125447444 /nfs/dbraw/zinc/44/74/44/1125447444.db2.gz MVWLNMMNOGFFGQ-HZPDHXFCSA-N 1 2 327.453 3.711 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](c4ccccc4)CC3)[nH+]c12 ZINC000066762522 1129207773 /nfs/dbraw/zinc/20/77/73/1129207773.db2.gz CNGUHOOJILSOGS-IBGZPJMESA-N 1 2 347.462 3.982 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)ccn1 ZINC000347693686 1129257385 /nfs/dbraw/zinc/25/73/85/1129257385.db2.gz YTBWQJULGREOFS-GHMZBOCLSA-N 1 2 330.413 3.614 20 0 EHADLO C[C@H](CCCC(C)(C)O)Nc1c(Br)ccc2[nH+]ccn21 ZINC001168706975 1129264203 /nfs/dbraw/zinc/26/42/03/1129264203.db2.gz GZEYKUUPDOOHKQ-LLVKDONJSA-N 1 2 340.265 3.838 20 0 EHADLO COCc1csc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000657425382 1129317909 /nfs/dbraw/zinc/31/79/09/1129317909.db2.gz JNFQMAHAGKOAES-SFHVURJKSA-N 1 2 345.443 3.646 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccccc2Cl)c1C ZINC000499686637 1129343294 /nfs/dbraw/zinc/34/32/94/1129343294.db2.gz UMNAIQDESVXIFV-UHFFFAOYSA-N 1 2 346.858 3.952 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+]Cc2noc(C3CCCCC3)n2)C12CCCC2 ZINC000347698359 1129345764 /nfs/dbraw/zinc/34/57/64/1129345764.db2.gz DYDGZWWBJRVZPI-HOTGVXAUSA-N 1 2 333.476 3.945 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC(c2ccccc2)CC1 ZINC000068408023 1129368849 /nfs/dbraw/zinc/36/88/49/1129368849.db2.gz ZHVUMGYPWKNTBQ-UHFFFAOYSA-N 1 2 349.478 3.591 20 0 EHADLO C[C@@H]1C[NH+](Cc2ncc(Br)cc2Br)C[C@H]1C ZINC000543446225 1129490487 /nfs/dbraw/zinc/49/04/87/1129490487.db2.gz ASVVCHWWIPSFQF-RKDXNWHRSA-N 1 2 348.082 3.694 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)cc1F ZINC000543484633 1129519143 /nfs/dbraw/zinc/51/91/43/1129519143.db2.gz BWEJWSYRIVJAMI-QGZVFWFLSA-N 1 2 348.418 3.669 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3cccc(Cl)c3C1)[C@H]2C ZINC001168726439 1129531146 /nfs/dbraw/zinc/53/11/46/1129531146.db2.gz JLQIQSYLBLQZLD-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)[C@H]2C ZINC001168726439 1129531149 /nfs/dbraw/zinc/53/11/49/1129531149.db2.gz JLQIQSYLBLQZLD-ZFWWWQNUSA-N 1 2 345.874 3.617 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc[nH+]c1N)c1ccccc1C(F)(F)F ZINC000922484915 1129548395 /nfs/dbraw/zinc/54/83/95/1129548395.db2.gz QDZDRHJOUFHTCB-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000922487086 1129549462 /nfs/dbraw/zinc/54/94/62/1129549462.db2.gz OGPZHPSEBDDJIS-UHFFFAOYSA-N 1 2 335.420 3.575 20 0 EHADLO C[NH+](C)Cc1csc(CNCc2ncc(-c3ccccc3)s2)n1 ZINC000922489270 1129550661 /nfs/dbraw/zinc/55/06/61/1129550661.db2.gz DZYSSWMQUGHEHJ-UHFFFAOYSA-N 1 2 344.509 3.618 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1OC1CC1 ZINC000922521686 1129561325 /nfs/dbraw/zinc/56/13/25/1129561325.db2.gz MIMXYBMXHFPQQT-JXFKEZNVSA-N 1 2 343.398 3.798 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](c2ccccn2)C2CC2)c1Br ZINC000922581548 1129581415 /nfs/dbraw/zinc/58/14/15/1129581415.db2.gz JGRMCJGCGYKIMK-INIZCTEOSA-N 1 2 332.245 3.788 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922584215 1129583117 /nfs/dbraw/zinc/58/31/17/1129583117.db2.gz DZTBZCGQQHSLLK-INIZCTEOSA-N 1 2 333.229 3.791 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)c(C)c1OC ZINC000673601062 1129607227 /nfs/dbraw/zinc/60/72/27/1129607227.db2.gz VGEVSDQMGAZWMR-UHFFFAOYSA-N 1 2 337.423 3.554 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3F)CC2)s1 ZINC000020542024 1129667376 /nfs/dbraw/zinc/66/73/76/1129667376.db2.gz ZPNHXIRZRTVJAN-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO COc1cc(C[NH2+][C@@H]2CCCC2(F)F)ccc1OCC(F)(F)F ZINC000673618527 1129667429 /nfs/dbraw/zinc/66/74/29/1129667429.db2.gz NHNSCWDDYXENKH-CYBMUJFWSA-N 1 2 339.304 3.914 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccccc2OCC2CC2)CC[S@@]1=O ZINC000347736626 1129670660 /nfs/dbraw/zinc/67/06/60/1129670660.db2.gz ROAYYOABFDQEII-QHCPKHFHSA-N 1 2 335.513 3.599 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccccc2OCC2CC2)CC[S@@]1=O ZINC000347736626 1129670662 /nfs/dbraw/zinc/67/06/62/1129670662.db2.gz ROAYYOABFDQEII-QHCPKHFHSA-N 1 2 335.513 3.599 20 0 EHADLO CCC(C)(C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000429002557 1129686681 /nfs/dbraw/zinc/68/66/81/1129686681.db2.gz HROMGDNEYOBZAN-SFHVURJKSA-N 1 2 342.487 3.977 20 0 EHADLO C[C@@H](C(=O)OCc1cccc2cccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000735956351 1131393735 /nfs/dbraw/zinc/39/37/35/1131393735.db2.gz GILWGGXPRPXZLH-INIZCTEOSA-N 1 2 346.430 3.725 20 0 EHADLO C[C@@H](C(=O)OCc1cccc2cccnc21)[N@H+]1CCc2ccccc2C1 ZINC000735956351 1131393738 /nfs/dbraw/zinc/39/37/38/1131393738.db2.gz GILWGGXPRPXZLH-INIZCTEOSA-N 1 2 346.430 3.725 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000338897999 1129738008 /nfs/dbraw/zinc/73/80/08/1129738008.db2.gz DNDHKFPBKBWOSS-ZDUSSCGKSA-N 1 2 340.814 3.720 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000429073584 1129743927 /nfs/dbraw/zinc/74/39/27/1129743927.db2.gz GSMSYPQWIASXMT-QAPCUYQASA-N 1 2 345.487 3.780 20 0 EHADLO Cc1cc([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nn1C ZINC000282422648 1129773151 /nfs/dbraw/zinc/77/31/51/1129773151.db2.gz CVCZWGAHBYLSQF-HNNXBMFYSA-N 1 2 333.439 3.817 20 0 EHADLO CCC[N@H+](Cc1cc(CO)ccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000625238915 1129779621 /nfs/dbraw/zinc/77/96/21/1129779621.db2.gz DZNSMGODEISLAU-HNNXBMFYSA-N 1 2 344.430 3.557 20 0 EHADLO CCC[N@@H+](Cc1cc(CO)ccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000625238915 1129779623 /nfs/dbraw/zinc/77/96/23/1129779623.db2.gz DZNSMGODEISLAU-HNNXBMFYSA-N 1 2 344.430 3.557 20 0 EHADLO CC[C@@](C)([NH2+]Cc1ccncc1Br)c1nccs1 ZINC000625256973 1129789829 /nfs/dbraw/zinc/78/98/29/1129789829.db2.gz WYEXONLRBUNFII-CYBMUJFWSA-N 1 2 326.263 3.716 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)c1C ZINC000303000984 1129807006 /nfs/dbraw/zinc/80/70/06/1129807006.db2.gz HUXPATLNUGMWDS-UHFFFAOYSA-N 1 2 346.478 3.811 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC000673720775 1129809771 /nfs/dbraw/zinc/80/97/71/1129809771.db2.gz BPBMPMAXUVGZRW-KRWDZBQOSA-N 1 2 329.444 3.576 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H](Cc3ccccc3)C(C)C)[nH+]c12 ZINC000673726601 1129812042 /nfs/dbraw/zinc/81/20/42/1129812042.db2.gz LDXHAUBCDBWCOM-HXUWFJFHSA-N 1 2 349.478 3.816 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673725097 1129812221 /nfs/dbraw/zinc/81/22/21/1129812221.db2.gz KKMPWKPWIYONQC-SFHVURJKSA-N 1 2 335.451 3.570 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CCc3ccc(Cl)s3)[nH+]c12 ZINC000673724792 1129812455 /nfs/dbraw/zinc/81/24/55/1129812455.db2.gz QFIKNXJOJLGOTP-UHFFFAOYSA-N 1 2 347.871 3.649 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4c(s3)CCCC4)[nH+]c12 ZINC000673727195 1129812874 /nfs/dbraw/zinc/81/28/74/1129812874.db2.gz UBAKXSRRAJEVHI-UHFFFAOYSA-N 1 2 339.464 3.556 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1nccs1 ZINC000625321078 1129825189 /nfs/dbraw/zinc/82/51/89/1129825189.db2.gz WEXGDJXQFBHINA-LBPRGKRZSA-N 1 2 327.812 3.615 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429120773 1129829145 /nfs/dbraw/zinc/82/91/45/1129829145.db2.gz CCJOQTXMLAVQJO-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429120773 1129829148 /nfs/dbraw/zinc/82/91/48/1129829148.db2.gz CCJOQTXMLAVQJO-IAGOWNOFSA-N 1 2 338.451 3.914 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000673771043 1129837008 /nfs/dbraw/zinc/83/70/08/1129837008.db2.gz DTBKXSPVURDMEV-HOTGVXAUSA-N 1 2 329.488 3.611 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)[nH+]c12 ZINC000673775613 1129839208 /nfs/dbraw/zinc/83/92/08/1129839208.db2.gz BFQVREJMIFVWRN-VQIMIIECSA-N 1 2 348.450 3.588 20 0 EHADLO O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429161906 1129903253 /nfs/dbraw/zinc/90/32/53/1129903253.db2.gz KOLJAAODFFPIEW-AWEZNQCLSA-N 1 2 346.390 3.919 20 0 EHADLO COc1ccc2c(ccn2CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000162821543 1129906905 /nfs/dbraw/zinc/90/69/05/1129906905.db2.gz IZOAFAKKICUDAB-UHFFFAOYSA-N 1 2 346.390 3.679 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)Cc2ccccc2O1 ZINC000429165250 1129908829 /nfs/dbraw/zinc/90/88/29/1129908829.db2.gz ZHWIBSWPILBLPG-QGZVFWFLSA-N 1 2 333.435 3.715 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)Cc2ccccc2O1 ZINC000429165250 1129908833 /nfs/dbraw/zinc/90/88/33/1129908833.db2.gz ZHWIBSWPILBLPG-QGZVFWFLSA-N 1 2 333.435 3.715 20 0 EHADLO Ic1cnc(C[N@@H+]2CCC[C@H]2C2CCC2)s1 ZINC000347839471 1129910829 /nfs/dbraw/zinc/91/08/29/1129910829.db2.gz DCDGKIQFJMHNLI-JTQLQIEISA-N 1 2 348.253 3.512 20 0 EHADLO Ic1cnc(C[N@H+]2CCC[C@H]2C2CCC2)s1 ZINC000347839471 1129910832 /nfs/dbraw/zinc/91/08/32/1129910832.db2.gz DCDGKIQFJMHNLI-JTQLQIEISA-N 1 2 348.253 3.512 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccco1 ZINC000030276886 1129915200 /nfs/dbraw/zinc/91/52/00/1129915200.db2.gz KSTBAXHMPGRQKC-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccco1 ZINC000030276886 1129915202 /nfs/dbraw/zinc/91/52/02/1129915202.db2.gz KSTBAXHMPGRQKC-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO O=C(CCc1ccc(Br)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000673991049 1129942781 /nfs/dbraw/zinc/94/27/81/1129942781.db2.gz GLKUTQOSJUYGSX-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010210 1129958004 /nfs/dbraw/zinc/95/80/04/1129958004.db2.gz PRSQJAWFHQUNLW-OALUTQOASA-N 1 2 342.414 3.998 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674010210 1129958006 /nfs/dbraw/zinc/95/80/06/1129958006.db2.gz PRSQJAWFHQUNLW-OALUTQOASA-N 1 2 342.414 3.998 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(F)c1 ZINC000625645039 1129966982 /nfs/dbraw/zinc/96/69/82/1129966982.db2.gz DQZJLAFKKBBGMC-AVGNSLFASA-N 1 2 328.378 3.684 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655199 1129967485 /nfs/dbraw/zinc/96/74/85/1129967485.db2.gz LHTCGWNHNOBBEX-AWEZNQCLSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655199 1129967486 /nfs/dbraw/zinc/96/74/86/1129967486.db2.gz LHTCGWNHNOBBEX-AWEZNQCLSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655202 1129967549 /nfs/dbraw/zinc/96/75/49/1129967549.db2.gz LHTCGWNHNOBBEX-CQSZACIVSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655202 1129967551 /nfs/dbraw/zinc/96/75/51/1129967551.db2.gz LHTCGWNHNOBBEX-CQSZACIVSA-N 1 2 334.414 3.691 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C1CC1 ZINC000625657770 1129971317 /nfs/dbraw/zinc/97/13/17/1129971317.db2.gz WEHOCXWJVMGJHU-CQSZACIVSA-N 1 2 332.398 3.579 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C1CC1 ZINC000625657770 1129971319 /nfs/dbraw/zinc/97/13/19/1129971319.db2.gz WEHOCXWJVMGJHU-CQSZACIVSA-N 1 2 332.398 3.579 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)C1CCCC1 ZINC000674095209 1130002634 /nfs/dbraw/zinc/00/26/34/1130002634.db2.gz UBTOVJDDROYSER-MRXNPFEDSA-N 1 2 330.472 3.592 20 0 EHADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099607 1130105478 /nfs/dbraw/zinc/10/54/78/1130105478.db2.gz YSQAXCXIBDGCOZ-ZWKOTPCHSA-N 1 2 340.471 3.694 20 0 EHADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099607 1130105481 /nfs/dbraw/zinc/10/54/81/1130105481.db2.gz YSQAXCXIBDGCOZ-ZWKOTPCHSA-N 1 2 340.471 3.694 20 0 EHADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099606 1130105638 /nfs/dbraw/zinc/10/56/38/1130105638.db2.gz YSQAXCXIBDGCOZ-ROUUACIJSA-N 1 2 340.471 3.694 20 0 EHADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)[nH]n1 ZINC001626099606 1130105642 /nfs/dbraw/zinc/10/56/42/1130105642.db2.gz YSQAXCXIBDGCOZ-ROUUACIJSA-N 1 2 340.471 3.694 20 0 EHADLO C[C@H](c1ccco1)N(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000674760667 1130189440 /nfs/dbraw/zinc/18/94/40/1130189440.db2.gz PUMVGBNIVPNMGR-OAHLLOKOSA-N 1 2 339.439 3.530 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000675022786 1130242277 /nfs/dbraw/zinc/24/22/77/1130242277.db2.gz CUHMFJXYQTTWTO-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675162841 1130267705 /nfs/dbraw/zinc/26/77/05/1130267705.db2.gz DGQBOEFPTPMNJN-NSHDSACASA-N 1 2 342.349 3.764 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@@H]1n1cc[nH+]c1 ZINC000675256994 1130299055 /nfs/dbraw/zinc/29/90/55/1130299055.db2.gz FIVSZQKGFAZXBZ-PXAZEXFGSA-N 1 2 342.830 3.741 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000675534217 1130420143 /nfs/dbraw/zinc/42/01/43/1130420143.db2.gz GMKDKVUVYXCAMS-CQSZACIVSA-N 1 2 347.488 3.716 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000675710538 1130456133 /nfs/dbraw/zinc/45/61/33/1130456133.db2.gz MAZWRAHTCMWWFV-LJQANCHMSA-N 1 2 340.471 3.628 20 0 EHADLO CC(=O)Nc1ccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001129119634 1130506323 /nfs/dbraw/zinc/50/63/23/1130506323.db2.gz BMAQUSYDPBIPMR-UHFFFAOYSA-N 1 2 348.406 3.512 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974545 1130513607 /nfs/dbraw/zinc/51/36/07/1130513607.db2.gz FVCRIUKERBDJPR-CYBMUJFWSA-N 1 2 345.406 3.773 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000676044113 1130523808 /nfs/dbraw/zinc/52/38/08/1130523808.db2.gz YKFQXCUSXGTGJS-UHFFFAOYSA-N 1 2 327.472 3.608 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000676044113 1130523812 /nfs/dbraw/zinc/52/38/12/1130523812.db2.gz YKFQXCUSXGTGJS-UHFFFAOYSA-N 1 2 327.472 3.608 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676188839 1130542374 /nfs/dbraw/zinc/54/23/74/1130542374.db2.gz UFKVEJFCINGKJB-CQSZACIVSA-N 1 2 341.484 3.788 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnnn2-c2ccccc2)s1 ZINC000676188839 1130542380 /nfs/dbraw/zinc/54/23/80/1130542380.db2.gz UFKVEJFCINGKJB-CQSZACIVSA-N 1 2 341.484 3.788 20 0 EHADLO CC(C)(CNc1nc2cc(Br)ccc2o1)n1cc[nH+]c1 ZINC000705896822 1130548710 /nfs/dbraw/zinc/54/87/10/1130548710.db2.gz LSKWDLBYNKDIEU-UHFFFAOYSA-N 1 2 335.205 3.634 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000168518921 1130633655 /nfs/dbraw/zinc/63/36/55/1130633655.db2.gz NPSADDPKQRHKAH-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CC(C)Sc1ccc(Cl)cc1NC(=O)NCc1c[nH+]cn1C ZINC000290154936 1130635311 /nfs/dbraw/zinc/63/53/11/1130635311.db2.gz GXCDFXIAEPLDJE-UHFFFAOYSA-N 1 2 338.864 3.896 20 0 EHADLO CC(=O)Nc1nc(C[NH+]2CCC(CCc3ccccc3)CC2)cs1 ZINC000025832654 1130640615 /nfs/dbraw/zinc/64/06/15/1130640615.db2.gz RSLBZLOFOCTFNY-UHFFFAOYSA-N 1 2 343.496 3.946 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000730541754 1130717410 /nfs/dbraw/zinc/71/74/10/1130717410.db2.gz WSZOLQZVOWNAGT-UHFFFAOYSA-N 1 2 343.424 3.806 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cc(C)cc(C)c2)c1C ZINC000730581686 1130720214 /nfs/dbraw/zinc/72/02/14/1130720214.db2.gz ZRZUBXKUZAZKSP-MRXNPFEDSA-N 1 2 341.455 3.884 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1cc(F)ccc1Br ZINC000731029331 1130759441 /nfs/dbraw/zinc/75/94/41/1130759441.db2.gz SBQANCUGOKRJJI-UHFFFAOYSA-N 1 2 343.221 3.891 20 0 EHADLO CC(C)COc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000731324541 1130786650 /nfs/dbraw/zinc/78/66/50/1130786650.db2.gz ORRMHEBCOHSKQZ-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732062102 1130883194 /nfs/dbraw/zinc/88/31/94/1130883194.db2.gz RNOMDDTWXWUYCK-DOTOQJQBSA-N 1 2 345.512 3.842 20 0 EHADLO C/C=C/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135100 1130889583 /nfs/dbraw/zinc/88/95/83/1130889583.db2.gz LBSZUBBUDFGEQC-ZOHDKCCFSA-N 1 2 336.838 3.692 20 0 EHADLO C/C=C/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135100 1130889589 /nfs/dbraw/zinc/88/95/89/1130889589.db2.gz LBSZUBBUDFGEQC-ZOHDKCCFSA-N 1 2 336.838 3.692 20 0 EHADLO CCC/C(C)=C\C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732138892 1130889893 /nfs/dbraw/zinc/88/98/93/1130889893.db2.gz RIZDJYYXKROOQZ-QKXCFHHRSA-N 1 2 336.426 3.792 20 0 EHADLO CCC/C(C)=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732138892 1130889902 /nfs/dbraw/zinc/88/99/02/1130889902.db2.gz RIZDJYYXKROOQZ-QKXCFHHRSA-N 1 2 336.426 3.792 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@H]2CCC[C@H](C)C2)n1 ZINC000732954775 1130972155 /nfs/dbraw/zinc/97/21/55/1130972155.db2.gz OZFITBJNNRMEMD-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC000733197639 1131004380 /nfs/dbraw/zinc/00/43/80/1131004380.db2.gz QDHUBZYTNVLUCI-CQSZACIVSA-N 1 2 345.464 3.841 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC000733197639 1131004385 /nfs/dbraw/zinc/00/43/85/1131004385.db2.gz QDHUBZYTNVLUCI-CQSZACIVSA-N 1 2 345.464 3.841 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000626094432 1131154297 /nfs/dbraw/zinc/15/42/97/1131154297.db2.gz ZLZBJXGPHSZMQG-JQWIXIFHSA-N 1 2 343.374 3.687 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C(C)C)CC2)c1C ZINC000734215859 1131212527 /nfs/dbraw/zinc/21/25/27/1131212527.db2.gz LAQZNTXDTODTIN-INIZCTEOSA-N 1 2 333.476 3.675 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053017 1131461104 /nfs/dbraw/zinc/46/11/04/1131461104.db2.gz GNUMBVBIWOWDAQ-GDBMZVCRSA-N 1 2 328.456 3.691 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053017 1131461107 /nfs/dbraw/zinc/46/11/07/1131461107.db2.gz GNUMBVBIWOWDAQ-GDBMZVCRSA-N 1 2 328.456 3.691 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053020 1131461294 /nfs/dbraw/zinc/46/12/94/1131461294.db2.gz GNUMBVBIWOWDAQ-GOEBONIOSA-N 1 2 328.456 3.691 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@H+]1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000738053020 1131461296 /nfs/dbraw/zinc/46/12/96/1131461296.db2.gz GNUMBVBIWOWDAQ-GOEBONIOSA-N 1 2 328.456 3.691 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057130 1131461977 /nfs/dbraw/zinc/46/19/77/1131461977.db2.gz RITUZEFIOOFQGV-LSDHHAIUSA-N 1 2 345.516 3.708 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000738057130 1131461978 /nfs/dbraw/zinc/46/19/78/1131461978.db2.gz RITUZEFIOOFQGV-LSDHHAIUSA-N 1 2 345.516 3.708 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000179530080 1131555311 /nfs/dbraw/zinc/55/53/11/1131555311.db2.gz BTSITWVKQXAWGN-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000179530080 1131555317 /nfs/dbraw/zinc/55/53/17/1131555317.db2.gz BTSITWVKQXAWGN-UHFFFAOYSA-N 1 2 332.806 3.996 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)C3CCCCCCC3)c2)CC1 ZINC000741550727 1131621321 /nfs/dbraw/zinc/62/13/21/1131621321.db2.gz WLIQEHZXBHWUFF-UHFFFAOYSA-N 1 2 343.515 3.733 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000741777739 1131646282 /nfs/dbraw/zinc/64/62/82/1131646282.db2.gz QPSMPQSWSLIQPY-CQSZACIVSA-N 1 2 342.439 3.607 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000741777739 1131646285 /nfs/dbraw/zinc/64/62/85/1131646285.db2.gz QPSMPQSWSLIQPY-CQSZACIVSA-N 1 2 342.439 3.607 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000741786807 1131647945 /nfs/dbraw/zinc/64/79/45/1131647945.db2.gz DSNRHCQGNQUQDP-HNNXBMFYSA-N 1 2 341.282 3.970 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000741786807 1131647947 /nfs/dbraw/zinc/64/79/47/1131647947.db2.gz DSNRHCQGNQUQDP-HNNXBMFYSA-N 1 2 341.282 3.970 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000741786373 1131648156 /nfs/dbraw/zinc/64/81/56/1131648156.db2.gz WRVUHYLPOMYDTF-CGZBRXJRSA-N 1 2 325.493 3.778 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccnc1SC(F)(F)F ZINC000741969622 1131677165 /nfs/dbraw/zinc/67/71/65/1131677165.db2.gz FWTCNKWGIOVJPL-UHFFFAOYSA-N 1 2 338.314 3.594 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153453 1131694255 /nfs/dbraw/zinc/69/42/55/1131694255.db2.gz PNFSXXWPXGKECR-STQMWFEESA-N 1 2 328.485 3.784 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742153453 1131694257 /nfs/dbraw/zinc/69/42/57/1131694257.db2.gz PNFSXXWPXGKECR-STQMWFEESA-N 1 2 328.485 3.784 20 0 EHADLO C[C@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000742197349 1131696963 /nfs/dbraw/zinc/69/69/63/1131696963.db2.gz RAKIUHARCHYNRV-QFBILLFUSA-N 1 2 340.492 3.683 20 0 EHADLO C[C@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000742197349 1131696966 /nfs/dbraw/zinc/69/69/66/1131696966.db2.gz RAKIUHARCHYNRV-QFBILLFUSA-N 1 2 340.492 3.683 20 0 EHADLO Cc1ccc2oc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc2c1 ZINC000742236771 1131699001 /nfs/dbraw/zinc/69/90/01/1131699001.db2.gz FYSRXIYFVBZCNJ-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1ccc2oc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc2c1 ZINC000742236771 1131699004 /nfs/dbraw/zinc/69/90/04/1131699004.db2.gz FYSRXIYFVBZCNJ-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO O=C(/C=C\C1CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000742536612 1131746162 /nfs/dbraw/zinc/74/61/62/1131746162.db2.gz AZIFMJKNUWZSNL-HLRDLLSLSA-N 1 2 336.838 3.698 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ncc(-c4ccccc4)s3)cc2)C1 ZINC001212664641 1131755494 /nfs/dbraw/zinc/75/54/94/1131755494.db2.gz XGCGWEAIMDXVCF-UHFFFAOYSA-N 1 2 337.448 3.730 20 0 EHADLO CCCCCC[C@@H](CCCC)[N@@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172512043 1131764483 /nfs/dbraw/zinc/76/44/83/1131764483.db2.gz BRNKEFREQSYLDZ-MRXNPFEDSA-N 1 2 334.508 3.588 20 0 EHADLO CCCCCC[C@@H](CCCC)[N@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172512043 1131764484 /nfs/dbraw/zinc/76/44/84/1131764484.db2.gz BRNKEFREQSYLDZ-MRXNPFEDSA-N 1 2 334.508 3.588 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3Oc3cccnc3)cc2)C1 ZINC001212669323 1131771245 /nfs/dbraw/zinc/77/12/45/1131771245.db2.gz RLZVDMOMZVLCLZ-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO C/C(=C\C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)C(C)(C)C ZINC000742695737 1131775016 /nfs/dbraw/zinc/77/50/16/1131775016.db2.gz VMPYUQFDHKBGCM-FOWTUZBSSA-N 1 2 330.472 3.758 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3c(F)cccc3C(F)(F)F)cc2)C1 ZINC001212668321 1131785146 /nfs/dbraw/zinc/78/51/46/1131785146.db2.gz TVXBTXWFLNUGMG-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172579812 1131792457 /nfs/dbraw/zinc/79/24/57/1131792457.db2.gz ZDYVKHFTTWIHPZ-BMIGLBTASA-N 1 2 333.806 3.871 20 0 EHADLO CCC/C(C)=C\C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000742942597 1131816389 /nfs/dbraw/zinc/81/63/89/1131816389.db2.gz QFNBNDMFCIYURM-ICFOKQHNSA-N 1 2 329.488 3.893 20 0 EHADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)CSc1ccc(Cl)cc1)C(=O)OC ZINC001172875634 1131895013 /nfs/dbraw/zinc/89/50/13/1131895013.db2.gz RCQDXXSAJYISSH-HUBLWGQQSA-N 1 2 329.893 3.998 20 0 EHADLO Cc1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)ncc1Br ZINC001206180307 1131899152 /nfs/dbraw/zinc/89/91/52/1131899152.db2.gz JOVWYJIAKCOAQV-UHFFFAOYSA-N 1 2 349.247 3.966 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+]3C[C@@H](C)S[C@@H](C)C3)c2=S)cc1 ZINC000743374170 1131904878 /nfs/dbraw/zinc/90/48/78/1131904878.db2.gz FVIXMUPCSKYFKC-OKILXGFUSA-N 1 2 349.525 3.800 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)c2=S)cc1 ZINC000743374170 1131904883 /nfs/dbraw/zinc/90/48/83/1131904883.db2.gz FVIXMUPCSKYFKC-OKILXGFUSA-N 1 2 349.525 3.800 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000743348297 1131905739 /nfs/dbraw/zinc/90/57/39/1131905739.db2.gz KPKICDXCNJOTST-KRWDZBQOSA-N 1 2 344.505 3.870 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000743348297 1131905748 /nfs/dbraw/zinc/90/57/48/1131905748.db2.gz KPKICDXCNJOTST-KRWDZBQOSA-N 1 2 344.505 3.870 20 0 EHADLO Cc1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Br)n1 ZINC001212693317 1131907082 /nfs/dbraw/zinc/90/70/82/1131907082.db2.gz PCHXOURSIMDRAI-UHFFFAOYSA-N 1 2 344.216 3.536 20 0 EHADLO Nc1cc(C(F)(F)F)cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694160 1131923082 /nfs/dbraw/zinc/92/30/82/1131923082.db2.gz MOPZMABMABFPSP-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO COC(=O)/C=C/c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699941 1131934176 /nfs/dbraw/zinc/93/41/76/1131934176.db2.gz LECRTDHKMRJWDA-JXMROGBWSA-N 1 2 333.391 3.861 20 0 EHADLO O=C1c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2CN1C1CC1 ZINC001212699856 1131934450 /nfs/dbraw/zinc/93/44/50/1131934450.db2.gz HNXDUDAUKOSPEB-UHFFFAOYSA-N 1 2 344.418 3.793 20 0 EHADLO CCCCC[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743522741 1131936308 /nfs/dbraw/zinc/93/63/08/1131936308.db2.gz ZZNSKNXTYOAOAC-FUHWJXTLSA-N 1 2 342.487 3.972 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000743852113 1131986298 /nfs/dbraw/zinc/98/62/98/1131986298.db2.gz LXVRWDNSBOVTTQ-UAOJZALGSA-N 1 2 347.405 3.769 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000743852113 1131986304 /nfs/dbraw/zinc/98/63/04/1131986304.db2.gz LXVRWDNSBOVTTQ-UAOJZALGSA-N 1 2 347.405 3.769 20 0 EHADLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173339169 1132055007 /nfs/dbraw/zinc/05/50/07/1132055007.db2.gz MDLUGHAUTROCMY-RTBURBONSA-N 1 2 345.483 3.573 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000744448596 1132101973 /nfs/dbraw/zinc/10/19/73/1132101973.db2.gz VLZDVEQFSRSIDR-BMLIUANNSA-N 1 2 333.794 3.567 20 0 EHADLO COc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(OC)c1OC ZINC001173904900 1132168595 /nfs/dbraw/zinc/16/85/95/1132168595.db2.gz YMEHUOKXCDYZPN-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO CCCCc1noc([C@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000745100636 1132193552 /nfs/dbraw/zinc/19/35/52/1132193552.db2.gz MJBUSIUJXIKDAQ-YOEHRIQHSA-N 1 2 345.443 3.709 20 0 EHADLO CCCCc1noc([C@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000745100636 1132193554 /nfs/dbraw/zinc/19/35/54/1132193554.db2.gz MJBUSIUJXIKDAQ-YOEHRIQHSA-N 1 2 345.443 3.709 20 0 EHADLO NC(=O)c1ccccc1Nc1cc[nH+]c2cc(Br)ccc12 ZINC001173980422 1132206451 /nfs/dbraw/zinc/20/64/51/1132206451.db2.gz BMEOMWHCJDQLIM-UHFFFAOYSA-N 1 2 342.196 3.840 20 0 EHADLO O=C(c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1)N1CCCC1 ZINC001174068155 1132232398 /nfs/dbraw/zinc/23/23/98/1132232398.db2.gz JGLSDESOZODWMS-UHFFFAOYSA-N 1 2 336.439 3.661 20 0 EHADLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(F)c1 ZINC001174144375 1132253147 /nfs/dbraw/zinc/25/31/47/1132253147.db2.gz TYZAEEKMJLAUHF-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO CC1CCN(C(=O)c2ccc(Nc3ccc(N(C)C)[nH+]c3)cc2)CC1 ZINC001174158472 1132259630 /nfs/dbraw/zinc/25/96/30/1132259630.db2.gz KJQZSIYFMKDBNM-UHFFFAOYSA-N 1 2 338.455 3.763 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(OC)ccc1F ZINC001174209304 1132286618 /nfs/dbraw/zinc/28/66/18/1132286618.db2.gz KEEDZHGRSPAUHP-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO Cc1n[nH]c(C)c1Nc1c(C)[nH+]c2c(Br)cc(C)cn12 ZINC001174213599 1132287489 /nfs/dbraw/zinc/28/74/89/1132287489.db2.gz JXXVMVDAZNYGJK-UHFFFAOYSA-N 1 2 334.221 3.797 20 0 EHADLO N[C@@]1(C(F)(F)F)CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001206222875 1132288963 /nfs/dbraw/zinc/28/89/63/1132288963.db2.gz QREWKCCZWIFMSZ-LBPRGKRZSA-N 1 2 327.177 3.501 20 0 EHADLO Cc1nn(C)c(C)c1Nc1c(C)[nH+]c2c(Br)cc(C)cn12 ZINC001174226869 1132291009 /nfs/dbraw/zinc/29/10/09/1132291009.db2.gz HPFNSAGDYYRZHA-UHFFFAOYSA-N 1 2 348.248 3.808 20 0 EHADLO COC(=O)c1nc(Cl)cnc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381699 1132343504 /nfs/dbraw/zinc/34/35/04/1132343504.db2.gz OYJISXZAUJGWSU-UHFFFAOYSA-N 1 2 345.790 3.591 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(F)cc3S(C)(=O)=O)ccc21 ZINC001174384073 1132344985 /nfs/dbraw/zinc/34/49/85/1132344985.db2.gz FDRCGGWWAZDNBX-UHFFFAOYSA-N 1 2 347.415 3.903 20 0 EHADLO COC(=O)/C=C/c1cccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)n1 ZINC001174382153 1132345534 /nfs/dbraw/zinc/34/55/34/1132345534.db2.gz BCAQYVBLVCZLRW-CSKARUKUSA-N 1 2 336.395 3.942 20 0 EHADLO CC(C)c1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC001174431775 1132352813 /nfs/dbraw/zinc/35/28/13/1132352813.db2.gz HURHDQQKJKFOOU-UHFFFAOYSA-N 1 2 341.455 3.660 20 0 EHADLO COc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1O ZINC001174541144 1132389688 /nfs/dbraw/zinc/38/96/88/1132389688.db2.gz HJVUKZKCUOWTCW-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO COC(=O)c1cc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174525162 1132401303 /nfs/dbraw/zinc/40/13/03/1132401303.db2.gz RETXYGXEDKHUFL-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(C2OCCO2)c1 ZINC001174524834 1132401315 /nfs/dbraw/zinc/40/13/15/1132401315.db2.gz RBYFTHGGXJOYHW-UHFFFAOYSA-N 1 2 325.412 3.861 20 0 EHADLO COCCn1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cn1 ZINC001174548946 1132412934 /nfs/dbraw/zinc/41/29/34/1132412934.db2.gz LJOUBDKJWHPMGV-UHFFFAOYSA-N 1 2 336.317 3.840 20 0 EHADLO c1csc([C@@H]2CSCC[N@H+]2Cc2cccc3cnccc32)n1 ZINC000186630557 1132424330 /nfs/dbraw/zinc/42/43/30/1132424330.db2.gz GSGROURFUOZNIX-INIZCTEOSA-N 1 2 327.478 3.981 20 0 EHADLO c1csc([C@@H]2CSCC[N@@H+]2Cc2cccc3cnccc32)n1 ZINC000186630557 1132424333 /nfs/dbraw/zinc/42/43/33/1132424333.db2.gz GSGROURFUOZNIX-INIZCTEOSA-N 1 2 327.478 3.981 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186848750 1132425345 /nfs/dbraw/zinc/42/53/45/1132425345.db2.gz UUOFBUNCHQOBRN-DGCLKSJQSA-N 1 2 338.377 3.666 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1Oc1cccc(F)c1 ZINC000188716902 1132438634 /nfs/dbraw/zinc/43/86/34/1132438634.db2.gz PXJZMBRNOBYRPF-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1Oc1cccc(F)c1 ZINC000188716902 1132438638 /nfs/dbraw/zinc/43/86/38/1132438638.db2.gz PXJZMBRNOBYRPF-UHFFFAOYSA-N 1 2 325.343 3.912 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC001174714617 1132450066 /nfs/dbraw/zinc/45/00/66/1132450066.db2.gz DQAOMHOPVHKGHO-KRWDZBQOSA-N 1 2 330.463 3.829 20 0 EHADLO Cc1cccc(COc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2)c1 ZINC000192676291 1132474891 /nfs/dbraw/zinc/47/48/91/1132474891.db2.gz JIQNAZGAIFDWLN-UHFFFAOYSA-N 1 2 349.434 3.546 20 0 EHADLO Cc1cccc(COc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2)c1 ZINC000192676291 1132474897 /nfs/dbraw/zinc/47/48/97/1132474897.db2.gz JIQNAZGAIFDWLN-UHFFFAOYSA-N 1 2 349.434 3.546 20 0 EHADLO Cc1nc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2s1 ZINC001174977914 1132511523 /nfs/dbraw/zinc/51/15/23/1132511523.db2.gz ZRICQAJIFHAUAN-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(C)s1 ZINC000390390940 1132514824 /nfs/dbraw/zinc/51/48/24/1132514824.db2.gz JCUZPFLWOPPJAL-CYBMUJFWSA-N 1 2 326.469 3.856 20 0 EHADLO CC1(F)CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC001175025938 1132522670 /nfs/dbraw/zinc/52/26/70/1132522670.db2.gz TZLJRMJVAIXBHI-UHFFFAOYSA-N 1 2 343.233 3.898 20 0 EHADLO COc1cc(F)cc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001175008163 1132528766 /nfs/dbraw/zinc/52/87/66/1132528766.db2.gz WFFUOTSOSOWHKH-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc2scnc21 ZINC001174980197 1132534201 /nfs/dbraw/zinc/53/42/01/1132534201.db2.gz XSYGEVBPHRYICE-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000746450950 1132536604 /nfs/dbraw/zinc/53/66/04/1132536604.db2.gz TZPSHLQHNHYETK-UHFFFAOYSA-N 1 2 325.884 3.596 20 0 EHADLO CCCCN(CCCC)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000746450950 1132536606 /nfs/dbraw/zinc/53/66/06/1132536606.db2.gz TZPSHLQHNHYETK-UHFFFAOYSA-N 1 2 325.884 3.596 20 0 EHADLO Cc1ccc(CC[C@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766417862 1132537545 /nfs/dbraw/zinc/53/75/45/1132537545.db2.gz WWTYLOGMYSRXGZ-LBPRGKRZSA-N 1 2 327.432 3.916 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000798000584 1132546613 /nfs/dbraw/zinc/54/66/13/1132546613.db2.gz AORXDFQWWQPAFK-AWEZNQCLSA-N 1 2 327.419 3.510 20 0 EHADLO COc1cc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1C ZINC001175078565 1132560952 /nfs/dbraw/zinc/56/09/52/1132560952.db2.gz CAOAWAUUMMEKGI-UHFFFAOYSA-N 1 2 349.478 3.803 20 0 EHADLO CCOc1cc(C)c(Nc2[nH+]cccc2N2CCOCC2)c(C)c1 ZINC001175173365 1132589523 /nfs/dbraw/zinc/58/95/23/1132589523.db2.gz OGDNBMSRDMSARP-UHFFFAOYSA-N 1 2 327.428 3.677 20 0 EHADLO CCOC(=O)C[N@H+](C[C@@H](O)CC1CCCC1)[C@H](C)c1ccccc1 ZINC001168893409 1132590172 /nfs/dbraw/zinc/59/01/72/1132590172.db2.gz HWYPVNVXFHHGGK-APWZRJJASA-N 1 2 333.472 3.554 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@@H](O)CC1CCCC1)[C@H](C)c1ccccc1 ZINC001168893409 1132590178 /nfs/dbraw/zinc/59/01/78/1132590178.db2.gz HWYPVNVXFHHGGK-APWZRJJASA-N 1 2 333.472 3.554 20 0 EHADLO Cc1cc2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)[nH+]cc2[nH]1 ZINC001168934553 1132607512 /nfs/dbraw/zinc/60/75/12/1132607512.db2.gz XTWKTLSWBKJMPO-UHFFFAOYSA-N 1 2 349.438 3.980 20 0 EHADLO CN(C)c1ccc(Nc2ccc(OCC3CCOCC3)c(F)c2)c[nH+]1 ZINC001175343270 1132627284 /nfs/dbraw/zinc/62/72/84/1132627284.db2.gz DDDJRAWVHYJUJF-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO Fc1cccc(F)c1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC001175339965 1132644048 /nfs/dbraw/zinc/64/40/48/1132644048.db2.gz DTSWHQMQBXLHEK-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO COCCOc1cccc(F)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349715 1132646311 /nfs/dbraw/zinc/64/63/11/1132646311.db2.gz PDMVLVRZPJLAHK-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2nccnc2c1 ZINC001175488924 1132682611 /nfs/dbraw/zinc/68/26/11/1132682611.db2.gz HEXNLSJLUOQXMS-UHFFFAOYSA-N 1 2 346.394 3.525 20 0 EHADLO CCOc1ncc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001175557434 1132710042 /nfs/dbraw/zinc/71/00/42/1132710042.db2.gz ZJBFGUCHBPUZKR-UHFFFAOYSA-N 1 2 345.200 3.930 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(Br)cc2O)c[nH+]1 ZINC001175713168 1132740321 /nfs/dbraw/zinc/74/03/21/1132740321.db2.gz UHAIWNSDWZKVTG-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(O)ccc2Br)c[nH+]1 ZINC001175713077 1132740585 /nfs/dbraw/zinc/74/05/85/1132740585.db2.gz PBRCAXYDJNKMMZ-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO CCOC(=O)Nc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175714599 1132741915 /nfs/dbraw/zinc/74/19/15/1132741915.db2.gz RYFMCSVZOFEDCU-UHFFFAOYSA-N 1 2 340.305 3.995 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001169406747 1132742372 /nfs/dbraw/zinc/74/23/72/1132742372.db2.gz AUVMKUFCLTYYNX-GOSISDBHSA-N 1 2 348.487 3.536 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001169406747 1132742379 /nfs/dbraw/zinc/74/23/79/1132742379.db2.gz AUVMKUFCLTYYNX-GOSISDBHSA-N 1 2 348.487 3.536 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc(F)c3c2OCCC3=O)c[nH+]1 ZINC001175717287 1132742602 /nfs/dbraw/zinc/74/26/02/1132742602.db2.gz RJEVLOVKNKZONP-UHFFFAOYSA-N 1 2 341.264 3.531 20 0 EHADLO CCCc1cc(NCCNC(=O)Nc2ccccc2)nc(CCC)[nH+]1 ZINC001169430460 1132761774 /nfs/dbraw/zinc/76/17/74/1132761774.db2.gz OUPBUQMJXXEOSJ-UHFFFAOYSA-N 1 2 341.459 3.615 20 0 EHADLO C[C@@H](CNc1cc[nH+]c(OC2CCOCC2)c1)c1ccc(O)cc1 ZINC001169543229 1132778815 /nfs/dbraw/zinc/77/88/15/1132778815.db2.gz SSKNCVOTLYMGOF-AWEZNQCLSA-N 1 2 328.412 3.561 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1Br ZINC000773548284 1132843519 /nfs/dbraw/zinc/84/35/19/1132843519.db2.gz XBOOFWIGPXDHIH-UHFFFAOYSA-N 1 2 347.168 3.585 20 0 EHADLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC001176145051 1132845705 /nfs/dbraw/zinc/84/57/05/1132845705.db2.gz JMQHVAZMFQWHEK-LLVKDONJSA-N 1 2 344.365 3.537 20 0 EHADLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC001176145051 1132845714 /nfs/dbraw/zinc/84/57/14/1132845714.db2.gz JMQHVAZMFQWHEK-LLVKDONJSA-N 1 2 344.365 3.537 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)[nH+]c1C ZINC001176211342 1132874486 /nfs/dbraw/zinc/87/44/86/1132874486.db2.gz PJHMCZCVECEWRD-UHFFFAOYSA-N 1 2 339.370 3.850 20 0 EHADLO COc1nscc1C[N@H+](C)Cc1cccc(Br)c1C ZINC001176474574 1132943473 /nfs/dbraw/zinc/94/34/73/1132943473.db2.gz NEUQSZHZIWNVAR-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1nscc1C[N@@H+](C)Cc1cccc(Br)c1C ZINC001176474574 1132943476 /nfs/dbraw/zinc/94/34/76/1132943476.db2.gz NEUQSZHZIWNVAR-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(O)c(F)c3)c2)[nH+]c1C ZINC000767330561 1132982533 /nfs/dbraw/zinc/98/25/33/1132982533.db2.gz UHJAOQDKSOQDAP-UHFFFAOYSA-N 1 2 325.343 3.791 20 0 EHADLO Nc1ccc2nc(C(F)(F)F)n(-c3ccc[nH+]c3N3CCCC3)c2c1 ZINC001176751206 1132993108 /nfs/dbraw/zinc/99/31/08/1132993108.db2.gz YUJIYYCMVQMVIF-UHFFFAOYSA-N 1 2 347.344 3.622 20 0 EHADLO Cc1cnc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750448 1132993295 /nfs/dbraw/zinc/99/32/95/1132993295.db2.gz SXDTYSPNRDAZRA-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(Cc2ccccc2)n1 ZINC001176705827 1132994610 /nfs/dbraw/zinc/99/46/10/1132994610.db2.gz QGEYAKNCVYAXSU-UHFFFAOYSA-N 1 2 329.407 3.920 20 0 EHADLO Cc1cc(N)ccc1CCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001176832086 1133004004 /nfs/dbraw/zinc/00/40/04/1133004004.db2.gz HKYWOZMXYNJKSP-UHFFFAOYSA-N 1 2 348.450 3.575 20 0 EHADLO Cc1cnc([C@H](C)[NH+]2CCN(c3cccc(Cl)c3C)CC2)cn1 ZINC001176841802 1133004164 /nfs/dbraw/zinc/00/41/64/1133004164.db2.gz HRPQGTBZCSILLD-HNNXBMFYSA-N 1 2 330.863 3.630 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)nc1 ZINC001176872012 1133006334 /nfs/dbraw/zinc/00/63/34/1133006334.db2.gz TYQMDAIFEUJXBJ-HNNXBMFYSA-N 1 2 348.349 3.749 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)nc1 ZINC001176872012 1133006341 /nfs/dbraw/zinc/00/63/41/1133006341.db2.gz TYQMDAIFEUJXBJ-HNNXBMFYSA-N 1 2 348.349 3.749 20 0 EHADLO O=C(Nc1ccc(C(=O)C2CC2)cc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966698 1133017119 /nfs/dbraw/zinc/01/71/19/1133017119.db2.gz CCBXSCBEZHSFSE-QGZVFWFLSA-N 1 2 349.434 3.529 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)CCO1 ZINC001176996720 1133020792 /nfs/dbraw/zinc/02/07/92/1133020792.db2.gz ZZFZVYGRYQSZNA-OAHLLOKOSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)CCO1 ZINC001176996720 1133020797 /nfs/dbraw/zinc/02/07/97/1133020797.db2.gz ZZFZVYGRYQSZNA-OAHLLOKOSA-N 1 2 331.485 3.842 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCOC[C@H]3CCO)s2)cc1 ZINC000767591242 1133023301 /nfs/dbraw/zinc/02/33/01/1133023301.db2.gz HBEHNOCJNXCGES-QGZVFWFLSA-N 1 2 346.496 3.517 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCOC[C@H]3CCO)s2)cc1 ZINC000767591242 1133023303 /nfs/dbraw/zinc/02/33/03/1133023303.db2.gz HBEHNOCJNXCGES-QGZVFWFLSA-N 1 2 346.496 3.517 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001177045022 1133025777 /nfs/dbraw/zinc/02/57/77/1133025777.db2.gz BHNMXPMWOXOOOV-MTFMMBMASA-N 1 2 344.474 3.857 20 0 EHADLO CCCCC[C@H](C)CC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001169975570 1133055082 /nfs/dbraw/zinc/05/50/82/1133055082.db2.gz PUDHJQYAWZGCPD-QFBILLFUSA-N 1 2 332.488 3.775 20 0 EHADLO CN(C)c1cc(CSCc2cc(F)cc3c2OCOC3)cc[nH+]1 ZINC000767872580 1133065666 /nfs/dbraw/zinc/06/56/66/1133065666.db2.gz ZAGQCOJCCCWPPS-UHFFFAOYSA-N 1 2 334.416 3.587 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773670414 1133074506 /nfs/dbraw/zinc/07/45/06/1133074506.db2.gz TWBJPEQYQMMKBE-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773670414 1133074510 /nfs/dbraw/zinc/07/45/10/1133074510.db2.gz TWBJPEQYQMMKBE-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO COc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1C ZINC001177626750 1133088423 /nfs/dbraw/zinc/08/84/23/1133088423.db2.gz CVWDFABWPRFTPZ-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO COc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1C ZINC001177626750 1133088427 /nfs/dbraw/zinc/08/84/27/1133088427.db2.gz CVWDFABWPRFTPZ-QGZVFWFLSA-N 1 2 328.412 3.508 20 0 EHADLO Cc1ccc2[nH]c(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)nc2c1 ZINC001129384036 1133091060 /nfs/dbraw/zinc/09/10/60/1133091060.db2.gz BZPLDZWXCHKLOJ-MRXNPFEDSA-N 1 2 342.830 3.766 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)[nH]c2c1 ZINC001129384036 1133091064 /nfs/dbraw/zinc/09/10/64/1133091064.db2.gz BZPLDZWXCHKLOJ-MRXNPFEDSA-N 1 2 342.830 3.766 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3cnc(Cl)c(C)c3)n2)cc1 ZINC001177737827 1133098496 /nfs/dbraw/zinc/09/84/96/1133098496.db2.gz UZFIIFSNVYRTFJ-UHFFFAOYSA-N 1 2 342.830 3.528 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000768194964 1133111705 /nfs/dbraw/zinc/11/17/05/1133111705.db2.gz LHUSLTSNBBXUDZ-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000768194964 1133111707 /nfs/dbraw/zinc/11/17/07/1133111707.db2.gz LHUSLTSNBBXUDZ-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC001178116800 1133132298 /nfs/dbraw/zinc/13/22/98/1133132298.db2.gz OIFLUCFORSPBDB-VIFPVBQESA-N 1 2 343.736 3.756 20 0 EHADLO CCn1nncc1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001178184322 1133140324 /nfs/dbraw/zinc/14/03/24/1133140324.db2.gz MTAKPPVNQJQYCT-GOSISDBHSA-N 1 2 344.821 3.970 20 0 EHADLO CC(C)c1cccc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001178448557 1133165992 /nfs/dbraw/zinc/16/59/92/1133165992.db2.gz GDRKWJMTLFFQMV-UHFFFAOYSA-N 1 2 334.423 3.631 20 0 EHADLO c1oc(C2CC2)nc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000768931116 1133205637 /nfs/dbraw/zinc/20/56/37/1133205637.db2.gz GISXLRXVJISMMG-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000768938350 1133206989 /nfs/dbraw/zinc/20/69/89/1133206989.db2.gz YJFRDSDSRZASMR-QGZVFWFLSA-N 1 2 344.459 3.908 20 0 EHADLO COc1ccc(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)o1 ZINC001179090423 1133226618 /nfs/dbraw/zinc/22/66/18/1133226618.db2.gz CAKFSAFFGIBRHN-UHFFFAOYSA-N 1 2 328.343 3.904 20 0 EHADLO Cn1ncc2cc(CNc3ccc(Nc4ccccc4)c[nH+]3)cnc21 ZINC001179204936 1133235386 /nfs/dbraw/zinc/23/53/86/1133235386.db2.gz HONSMSAFZUEGKI-UHFFFAOYSA-N 1 2 330.395 3.719 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769320158 1133261707 /nfs/dbraw/zinc/26/17/07/1133261707.db2.gz LKHOEDZWAIJALN-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769320158 1133261711 /nfs/dbraw/zinc/26/17/11/1133261711.db2.gz LKHOEDZWAIJALN-UHFFFAOYSA-N 1 2 348.472 3.826 20 0 EHADLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001203360421 1133271537 /nfs/dbraw/zinc/27/15/37/1133271537.db2.gz XDKUPFWBFHGPGD-UHFFFAOYSA-N 1 2 347.455 3.609 20 0 EHADLO O=C(Cc1cc(F)cc(F)c1F)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001179840994 1133289135 /nfs/dbraw/zinc/28/91/35/1133289135.db2.gz FJKBGSQHYQVSLF-UHFFFAOYSA-N 1 2 345.324 3.530 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1occc1Br)Cc1ccccc1 ZINC000769498029 1133301389 /nfs/dbraw/zinc/30/13/89/1133301389.db2.gz JSHREUICMAENFO-AWEZNQCLSA-N 1 2 338.245 3.815 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1occc1Br)Cc1ccccc1 ZINC000769498029 1133301396 /nfs/dbraw/zinc/30/13/96/1133301396.db2.gz JSHREUICMAENFO-AWEZNQCLSA-N 1 2 338.245 3.815 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000769515431 1133307767 /nfs/dbraw/zinc/30/77/67/1133307767.db2.gz SJAUOUUIDZDMIB-UHFFFAOYSA-N 1 2 325.884 3.561 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000769515431 1133307773 /nfs/dbraw/zinc/30/77/73/1133307773.db2.gz SJAUOUUIDZDMIB-UHFFFAOYSA-N 1 2 325.884 3.561 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)OCc2ccccc2)n1 ZINC000769560264 1133315396 /nfs/dbraw/zinc/31/53/96/1133315396.db2.gz OHVLBYLFQLGQPX-AWEZNQCLSA-N 1 2 347.484 3.529 20 0 EHADLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC001180082558 1133327089 /nfs/dbraw/zinc/32/70/89/1133327089.db2.gz SATDYNAXVMVCMM-DVFVSVACSA-N 1 2 340.389 3.709 20 0 EHADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC001180082558 1133327094 /nfs/dbraw/zinc/32/70/94/1133327094.db2.gz SATDYNAXVMVCMM-DVFVSVACSA-N 1 2 340.389 3.709 20 0 EHADLO OCCC[N@H+](Cc1ccccc1)Cc1cncc(Cl)c1Cl ZINC001180183908 1133337061 /nfs/dbraw/zinc/33/70/61/1133337061.db2.gz JHEDCQKGNICHGA-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1ccccc1)Cc1cncc(Cl)c1Cl ZINC001180183908 1133337064 /nfs/dbraw/zinc/33/70/64/1133337064.db2.gz JHEDCQKGNICHGA-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO O=C1CC2(CCCC2)CN1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769780483 1133344497 /nfs/dbraw/zinc/34/44/97/1133344497.db2.gz QLCDUYJTONIGPT-UHFFFAOYSA-N 1 2 348.437 3.894 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(Br)cc1 ZINC000769904466 1133357145 /nfs/dbraw/zinc/35/71/45/1133357145.db2.gz JXMYHTBYUHYCNF-JTQLQIEISA-N 1 2 338.249 3.980 20 0 EHADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000770057813 1133378002 /nfs/dbraw/zinc/37/80/02/1133378002.db2.gz MWLMWPVPDGWZTK-NSHDSACASA-N 1 2 333.313 3.844 20 0 EHADLO c1ccc(CC[C@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC001180663916 1133404677 /nfs/dbraw/zinc/40/46/77/1133404677.db2.gz BAFPBZVQWOZXDB-FQEVSTJZSA-N 1 2 336.479 3.794 20 0 EHADLO c1ccc(CC[C@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC001180663916 1133404681 /nfs/dbraw/zinc/40/46/81/1133404681.db2.gz BAFPBZVQWOZXDB-FQEVSTJZSA-N 1 2 336.479 3.794 20 0 EHADLO COc1ccc(C[NH+]2CC(O)(C(C)C)C2)cc1SC(F)(F)F ZINC000773891931 1133440919 /nfs/dbraw/zinc/44/09/19/1133440919.db2.gz DGVCUAZPJOYWQH-UHFFFAOYSA-N 1 2 335.391 3.510 20 0 EHADLO CC(C)N(C)c1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1F ZINC000770655853 1133460631 /nfs/dbraw/zinc/46/06/31/1133460631.db2.gz GRMOYVPTXSFGHY-UHFFFAOYSA-N 1 2 326.375 3.570 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cnc(-c2ccccc2)s1 ZINC000770923227 1133484741 /nfs/dbraw/zinc/48/47/41/1133484741.db2.gz YNMSZZZRJNEGJJ-UHFFFAOYSA-N 1 2 335.388 3.815 20 0 EHADLO C[C@H](C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1)c1cc2ccccc2o1 ZINC001181567676 1133503467 /nfs/dbraw/zinc/50/34/67/1133503467.db2.gz LIXLUNDKPIUYDT-AWEZNQCLSA-N 1 2 337.423 3.741 20 0 EHADLO O=C(Cc1cccc2[nH]ccc21)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181722754 1133516369 /nfs/dbraw/zinc/51/63/69/1133516369.db2.gz XTFASWYDJOGEBZ-UHFFFAOYSA-N 1 2 330.391 3.594 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001182133375 1133576854 /nfs/dbraw/zinc/57/68/54/1133576854.db2.gz RDXAZAZGOBHLND-IAGOWNOFSA-N 1 2 336.426 3.512 20 0 EHADLO C[C@H](CC(=O)c1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182169204 1133582177 /nfs/dbraw/zinc/58/21/77/1133582177.db2.gz RWYKWYRJTKQTED-MRXNPFEDSA-N 1 2 347.418 3.779 20 0 EHADLO CCCN(CCOC)C(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182219179 1133598298 /nfs/dbraw/zinc/59/82/98/1133598298.db2.gz OPJPPIQQNGLTKP-KRWDZBQOSA-N 1 2 340.895 3.608 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[C@H](F)C1)c1ccccc1Cl ZINC001182225789 1133599785 /nfs/dbraw/zinc/59/97/85/1133599785.db2.gz YNCHETHRTXEWHB-XJKCOSOUSA-N 1 2 326.843 3.587 20 0 EHADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000771921384 1133608817 /nfs/dbraw/zinc/60/88/17/1133608817.db2.gz DRMGNXUXNHVOPO-JTQLQIEISA-N 1 2 345.251 3.914 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCCn1cc[nH+]c1 ZINC000771892936 1133612547 /nfs/dbraw/zinc/61/25/47/1133612547.db2.gz JVSUEDARJVTTPS-UHFFFAOYSA-N 1 2 347.827 3.825 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC001182452986 1133672445 /nfs/dbraw/zinc/67/24/45/1133672445.db2.gz CJZRQUGLJPWAIG-AWEZNQCLSA-N 1 2 333.432 3.761 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC001182452986 1133672447 /nfs/dbraw/zinc/67/24/47/1133672447.db2.gz CJZRQUGLJPWAIG-AWEZNQCLSA-N 1 2 333.432 3.761 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCCCO3)C2 ZINC001182595929 1133706881 /nfs/dbraw/zinc/70/68/81/1133706881.db2.gz ZPXFAUCRMMYYFJ-UHFFFAOYSA-N 1 2 325.408 3.762 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCCCO3)C2 ZINC001182595929 1133706884 /nfs/dbraw/zinc/70/68/84/1133706884.db2.gz ZPXFAUCRMMYYFJ-UHFFFAOYSA-N 1 2 325.408 3.762 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)nc1 ZINC001182763004 1133724120 /nfs/dbraw/zinc/72/41/20/1133724120.db2.gz AIFGYTOGMKJDFO-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)nc1 ZINC001182763004 1133724124 /nfs/dbraw/zinc/72/41/24/1133724124.db2.gz AIFGYTOGMKJDFO-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000785567385 1133728092 /nfs/dbraw/zinc/72/80/92/1133728092.db2.gz XFBGUJYINLGJJX-DOTOQJQBSA-N 1 2 326.444 3.640 20 0 EHADLO CC1(C)C[N@H+](Cc2c(Cl)nc3ccccn32)CC2(CCCC2)O1 ZINC000785989137 1133788891 /nfs/dbraw/zinc/78/88/91/1133788891.db2.gz SGYIYNBZAIWRRZ-UHFFFAOYSA-N 1 2 333.863 3.911 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(Cl)nc3ccccn32)CC2(CCCC2)O1 ZINC000785989137 1133788897 /nfs/dbraw/zinc/78/88/97/1133788897.db2.gz SGYIYNBZAIWRRZ-UHFFFAOYSA-N 1 2 333.863 3.911 20 0 EHADLO FC(F)(F)c1cccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000072725852 1133831675 /nfs/dbraw/zinc/83/16/75/1133831675.db2.gz GSACRALLQSRZJJ-UHFFFAOYSA-N 1 2 332.329 3.576 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754018 1133855045 /nfs/dbraw/zinc/85/50/45/1133855045.db2.gz XDOCVLONTSPKSM-HXUWFJFHSA-N 1 2 338.451 3.995 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754018 1133855054 /nfs/dbraw/zinc/85/50/54/1133855054.db2.gz XDOCVLONTSPKSM-HXUWFJFHSA-N 1 2 338.451 3.995 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)c1 ZINC001183788593 1133858360 /nfs/dbraw/zinc/85/83/60/1133858360.db2.gz MKVMNDVMYZMGCE-UHFFFAOYSA-N 1 2 328.387 3.547 20 0 EHADLO COc1cnc(F)c(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)c1 ZINC001183788593 1133858369 /nfs/dbraw/zinc/85/83/69/1133858369.db2.gz MKVMNDVMYZMGCE-UHFFFAOYSA-N 1 2 328.387 3.547 20 0 EHADLO Fc1ccc(Oc2cccc(C[N@@H+]3CCCn4nncc4C3)c2)cc1 ZINC001183855847 1133866106 /nfs/dbraw/zinc/86/61/06/1133866106.db2.gz WLHRKETVFZMFMF-UHFFFAOYSA-N 1 2 338.386 3.615 20 0 EHADLO Fc1ccc(Oc2cccc(C[N@H+]3CCCn4nncc4C3)c2)cc1 ZINC001183855847 1133866114 /nfs/dbraw/zinc/86/61/14/1133866114.db2.gz WLHRKETVFZMFMF-UHFFFAOYSA-N 1 2 338.386 3.615 20 0 EHADLO CCOc1cc(F)cc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC001183959228 1133881444 /nfs/dbraw/zinc/88/14/44/1133881444.db2.gz NVYIFEXCISVZPV-UHFFFAOYSA-N 1 2 348.462 3.663 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC001183959228 1133881450 /nfs/dbraw/zinc/88/14/50/1133881450.db2.gz NVYIFEXCISVZPV-UHFFFAOYSA-N 1 2 348.462 3.663 20 0 EHADLO C[NH+]1CCN(c2ccc(NC3CCCC3)cc2Br)CC1 ZINC000786836944 1133906821 /nfs/dbraw/zinc/90/68/21/1133906821.db2.gz QCVMQQBSPUDEMB-UHFFFAOYSA-N 1 2 338.293 3.555 20 0 EHADLO CC(C)[C@H](NC1CCN(c2ccc([NH+](C)C)cc2)CC1)C(F)(F)F ZINC000786975212 1133927028 /nfs/dbraw/zinc/92/70/28/1133927028.db2.gz SVLFIPHDXVLNTN-KRWDZBQOSA-N 1 2 343.437 3.898 20 0 EHADLO CC[C@H](C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184322573 1133927386 /nfs/dbraw/zinc/92/73/86/1133927386.db2.gz RJGFNEBOVXZKJR-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO CC[C@H](C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184322573 1133927392 /nfs/dbraw/zinc/92/73/92/1133927392.db2.gz RJGFNEBOVXZKJR-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001184564504 1133957902 /nfs/dbraw/zinc/95/79/02/1133957902.db2.gz HOXVBCINSHKXJQ-AWEZNQCLSA-N 1 2 344.846 3.834 20 0 EHADLO c1cc(C[NH+]2CCN(c3nc(C4CCCCC4)ns3)CC2)cs1 ZINC001184674555 1133969599 /nfs/dbraw/zinc/96/95/99/1133969599.db2.gz WLNPAQHLDWLJFP-UHFFFAOYSA-N 1 2 348.541 3.970 20 0 EHADLO Cc1nc(NCCc2ccc(OC(F)F)cc2)c2c([nH+]1)CCCC2 ZINC001184644902 1133971351 /nfs/dbraw/zinc/97/13/51/1133971351.db2.gz WJORDCDLZVVFNG-UHFFFAOYSA-N 1 2 333.382 3.920 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1ccccc1F ZINC000787246639 1133977859 /nfs/dbraw/zinc/97/78/59/1133977859.db2.gz ZIVJNHLRAFXEQH-AWEZNQCLSA-N 1 2 331.439 3.553 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1ccccc1F ZINC000787246639 1133977864 /nfs/dbraw/zinc/97/78/64/1133977864.db2.gz ZIVJNHLRAFXEQH-AWEZNQCLSA-N 1 2 331.439 3.553 20 0 EHADLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cn1cc(Cl)cn1 ZINC000787245276 1133978312 /nfs/dbraw/zinc/97/83/12/1133978312.db2.gz MRGZMQOVNAYVJC-UHFFFAOYSA-N 1 2 333.741 3.524 20 0 EHADLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cn1cc(Cl)cn1 ZINC000787245276 1133978313 /nfs/dbraw/zinc/97/83/13/1133978313.db2.gz MRGZMQOVNAYVJC-UHFFFAOYSA-N 1 2 333.741 3.524 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000746669592 1133984891 /nfs/dbraw/zinc/98/48/91/1133984891.db2.gz GHOUZMAXAKMAPD-GFCCVEGCSA-N 1 2 330.375 3.636 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000746669592 1133984896 /nfs/dbraw/zinc/98/48/96/1133984896.db2.gz GHOUZMAXAKMAPD-GFCCVEGCSA-N 1 2 330.375 3.636 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CC1 ZINC000787442111 1134004655 /nfs/dbraw/zinc/00/46/55/1134004655.db2.gz SYIWMBKANLJEES-LBPRGKRZSA-N 1 2 347.484 3.533 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CC1 ZINC000787442111 1134004662 /nfs/dbraw/zinc/00/46/62/1134004662.db2.gz SYIWMBKANLJEES-LBPRGKRZSA-N 1 2 347.484 3.533 20 0 EHADLO Nc1cc(Br)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184965067 1134008013 /nfs/dbraw/zinc/00/80/13/1134008013.db2.gz RMUMEBLLUZIBQI-UHFFFAOYSA-N 1 2 333.233 3.770 20 0 EHADLO CO[C@@H]1CCOc2c(Nc3ccc[nH+]c3N3CCCC3)cccc21 ZINC001184965594 1134008355 /nfs/dbraw/zinc/00/83/55/1134008355.db2.gz YUEOVEBAHDDYMR-QGZVFWFLSA-N 1 2 325.412 3.895 20 0 EHADLO COC(=O)c1c(Cl)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964505 1134008553 /nfs/dbraw/zinc/00/85/53/1134008553.db2.gz KZZWPXPTSQXCOS-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000154036523 1134056816 /nfs/dbraw/zinc/05/68/16/1134056816.db2.gz HOFMSZPGEJWXGM-ZDUSSCGKSA-N 1 2 330.428 3.737 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000774854926 1134063853 /nfs/dbraw/zinc/06/38/53/1134063853.db2.gz LNOICUDYPRZQIL-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788246193 1134100546 /nfs/dbraw/zinc/10/05/46/1134100546.db2.gz PXKCUTCQNKWRMP-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788246193 1134100547 /nfs/dbraw/zinc/10/05/47/1134100547.db2.gz PXKCUTCQNKWRMP-OAHLLOKOSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3cnc(Cl)cn3)CC2)c1 ZINC000788479324 1134130626 /nfs/dbraw/zinc/13/06/26/1134130626.db2.gz SLODBPCSBOUOOI-UHFFFAOYSA-N 1 2 331.847 3.790 20 0 EHADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001170086748 1134148616 /nfs/dbraw/zinc/14/86/16/1134148616.db2.gz WMSKKMUSFQQXMY-AWEZNQCLSA-N 1 2 328.815 3.532 20 0 EHADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001170086748 1134148618 /nfs/dbraw/zinc/14/86/18/1134148618.db2.gz WMSKKMUSFQQXMY-AWEZNQCLSA-N 1 2 328.815 3.532 20 0 EHADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170086858 1134149530 /nfs/dbraw/zinc/14/95/30/1134149530.db2.gz YPECRZWIDZKAPC-ZDUSSCGKSA-N 1 2 328.815 3.532 20 0 EHADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001170086858 1134149531 /nfs/dbraw/zinc/14/95/31/1134149531.db2.gz YPECRZWIDZKAPC-ZDUSSCGKSA-N 1 2 328.815 3.532 20 0 EHADLO Cc1cc(NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)ccc1[NH+](C)C ZINC000788727832 1134163130 /nfs/dbraw/zinc/16/31/30/1134163130.db2.gz LBLZVVGYLGBERD-UHFFFAOYSA-N 1 2 345.487 3.872 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1c(F)cc(F)cc1F ZINC001186055722 1134166747 /nfs/dbraw/zinc/16/67/47/1134166747.db2.gz IOOSYUMORXVDMI-UHFFFAOYSA-N 1 2 346.312 3.993 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC001186131291 1134173392 /nfs/dbraw/zinc/17/33/92/1134173392.db2.gz MAAWHNAKEFBUMF-BBRMVZONSA-N 1 2 343.393 3.948 20 0 EHADLO O=C(c1cc2c(cccc2F)s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788833923 1134179444 /nfs/dbraw/zinc/17/94/44/1134179444.db2.gz ZUSSDMCTUWPWIQ-CYBMUJFWSA-N 1 2 342.395 3.729 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C)cc(Br)c2)s1 ZINC000775014587 1134210334 /nfs/dbraw/zinc/21/03/34/1134210334.db2.gz DFRFYNLAFPSPCL-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO Cc1nc(NC[C@](C)(Cc2ccccc2)[C@H](C)O)c2c([nH+]1)CCCC2 ZINC001186373270 1134210831 /nfs/dbraw/zinc/21/08/31/1134210831.db2.gz LMOMQGWIOUJVLH-BTYIYWSLSA-N 1 2 339.483 3.706 20 0 EHADLO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000789503676 1134287094 /nfs/dbraw/zinc/28/70/94/1134287094.db2.gz IHPZMYBXHSSBBG-INIZCTEOSA-N 1 2 337.332 3.755 20 0 EHADLO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000789503676 1134287098 /nfs/dbraw/zinc/28/70/98/1134287098.db2.gz IHPZMYBXHSSBBG-INIZCTEOSA-N 1 2 337.332 3.755 20 0 EHADLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170109730 1134292560 /nfs/dbraw/zinc/29/25/60/1134292560.db2.gz SAJPFQAHMPPQKT-LESCRADOSA-N 1 2 333.472 3.726 20 0 EHADLO Cc1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cnc1Cl ZINC000789767828 1134328835 /nfs/dbraw/zinc/32/88/35/1134328835.db2.gz AXHQHSGVYRSMQF-UHFFFAOYSA-N 1 2 344.890 3.956 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1Cl ZINC000789906059 1134348454 /nfs/dbraw/zinc/34/84/54/1134348454.db2.gz USQXWVUFAKNFKM-ZDUSSCGKSA-N 1 2 337.826 3.829 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000775135438 1134363863 /nfs/dbraw/zinc/36/38/63/1134363863.db2.gz XPPULEWDVRRUSL-UHFFFAOYSA-N 1 2 341.842 3.700 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)[nH+]c1C ZINC000746884611 1134374488 /nfs/dbraw/zinc/37/44/88/1134374488.db2.gz RRNOQMHHODBLFE-UHFFFAOYSA-N 1 2 339.370 3.850 20 0 EHADLO CCCCc1ccc(NC(=O)NCc2c[nH+]cn2CC2CC2)cc1 ZINC001187752861 1134380367 /nfs/dbraw/zinc/38/03/67/1134380367.db2.gz RYWBDQAEFGYTIG-UHFFFAOYSA-N 1 2 326.444 3.957 20 0 EHADLO CCn1c(SCc2ccc[nH+]c2N)nnc1-c1ccc(Cl)cc1 ZINC001187995421 1134410451 /nfs/dbraw/zinc/41/04/51/1134410451.db2.gz RBXBHTMELOXWJP-UHFFFAOYSA-N 1 2 345.859 3.888 20 0 EHADLO C[C@@H]1CCSCC[N@@H+]1Cn1ncc2c1cccc2Br ZINC000790478492 1134423960 /nfs/dbraw/zinc/42/39/60/1134423960.db2.gz PHPSIUDRSZWSTP-LLVKDONJSA-N 1 2 340.290 3.584 20 0 EHADLO C[C@@H]1CCSCC[N@H+]1Cn1ncc2c1cccc2Br ZINC000790478492 1134423963 /nfs/dbraw/zinc/42/39/63/1134423963.db2.gz PHPSIUDRSZWSTP-LLVKDONJSA-N 1 2 340.290 3.584 20 0 EHADLO Brc1cncc([C@@H]([NH2+]Cc2coc(C3CC3)n2)C2CC2)c1 ZINC000790623932 1134447323 /nfs/dbraw/zinc/44/73/23/1134447323.db2.gz VXWPPKNGXDRMSS-HNNXBMFYSA-N 1 2 348.244 3.950 20 0 EHADLO C[NH+](C)[C@@H](C(=O)OCCSCc1ccccc1)c1ccccc1 ZINC000790663899 1134453894 /nfs/dbraw/zinc/45/38/94/1134453894.db2.gz JDUYEHADNYGODV-GOSISDBHSA-N 1 2 329.465 3.766 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)c1nnnn1C1CC1 ZINC000790750269 1134462261 /nfs/dbraw/zinc/46/22/61/1134462261.db2.gz OTAQGXZTIWCMAD-RKDXNWHRSA-N 1 2 326.231 3.727 20 0 EHADLO COc1ccc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1Cl ZINC001188443025 1134464440 /nfs/dbraw/zinc/46/44/40/1134464440.db2.gz LVRGVIZYLJZYTB-UHFFFAOYSA-N 1 2 330.775 3.949 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000790905813 1134481470 /nfs/dbraw/zinc/48/14/70/1134481470.db2.gz UGCFCNGOHVPDTI-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000790905813 1134481472 /nfs/dbraw/zinc/48/14/72/1134481472.db2.gz UGCFCNGOHVPDTI-LBPRGKRZSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000790905812 1134481602 /nfs/dbraw/zinc/48/16/02/1134481602.db2.gz UGCFCNGOHVPDTI-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000790905812 1134481604 /nfs/dbraw/zinc/48/16/04/1134481604.db2.gz UGCFCNGOHVPDTI-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000791403039 1134545744 /nfs/dbraw/zinc/54/57/44/1134545744.db2.gz FHGLXPIDXVPQBF-YJBOKZPZSA-N 1 2 328.412 3.572 20 0 EHADLO Cc1cc(F)c(F)cc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000791410364 1134547527 /nfs/dbraw/zinc/54/75/27/1134547527.db2.gz SFIMLFBMTHEVTE-UHFFFAOYSA-N 1 2 328.318 3.737 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1ccc(F)cc1F ZINC000791411962 1134547543 /nfs/dbraw/zinc/54/75/43/1134547543.db2.gz KHPLFJSRKOYABI-UHFFFAOYSA-N 1 2 342.345 3.745 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000791558162 1134573113 /nfs/dbraw/zinc/57/31/13/1134573113.db2.gz PKRAXVXRQLPEBC-GTTSAUCSSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000791558162 1134573117 /nfs/dbraw/zinc/57/31/17/1134573117.db2.gz PKRAXVXRQLPEBC-GTTSAUCSSA-N 1 2 330.255 3.526 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791639248 1134582484 /nfs/dbraw/zinc/58/24/84/1134582484.db2.gz NHWCNZMURVSGBM-NRFANRHFSA-N 1 2 339.483 3.766 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cn1)c1ccccc1 ZINC000791736822 1134597892 /nfs/dbraw/zinc/59/78/92/1134597892.db2.gz UCMZDDGDBRIACB-CQSZACIVSA-N 1 2 349.390 3.556 20 0 EHADLO C/C(=C/C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1C(F)(F)F ZINC000791955670 1134638550 /nfs/dbraw/zinc/63/85/50/1134638550.db2.gz RONJIIBFJSIVBE-FLIBITNWSA-N 1 2 336.313 3.829 20 0 EHADLO Nc1cc(COC(=O)c2cc(Cl)ccc2OC2CCCC2)cc[nH+]1 ZINC000791992728 1134640113 /nfs/dbraw/zinc/64/01/13/1134640113.db2.gz YXXHKCRUNCKDCX-UHFFFAOYSA-N 1 2 346.814 3.996 20 0 EHADLO COc1ccc([C@H](C)NC(=O)c2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC001190106882 1134656714 /nfs/dbraw/zinc/65/67/14/1134656714.db2.gz NFXSVWZIUCIFGD-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO O=C(Nc1ccnc(Cl)c1Cl)c1ccccc1-n1cc[nH+]c1 ZINC001190074276 1134658037 /nfs/dbraw/zinc/65/80/37/1134658037.db2.gz BERUACSFDPADHI-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO COc1ccc2ncc(NC(=O)c3ccccc3-n3cc[nH+]c3)cc2c1 ZINC001190075037 1134658341 /nfs/dbraw/zinc/65/83/41/1134658341.db2.gz MTCTVRXIGONSDI-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001170219747 1134709441 /nfs/dbraw/zinc/70/94/41/1134709441.db2.gz YTSFITRAFONDSG-LBPRGKRZSA-N 1 2 328.815 3.580 20 0 EHADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001170219747 1134709443 /nfs/dbraw/zinc/70/94/43/1134709443.db2.gz YTSFITRAFONDSG-LBPRGKRZSA-N 1 2 328.815 3.580 20 0 EHADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(F)(F)C(F)(F)F ZINC001170413789 1134773732 /nfs/dbraw/zinc/77/37/32/1134773732.db2.gz XBOXNDLITUQGKO-JTQLQIEISA-N 1 2 325.277 3.524 20 0 EHADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001191068182 1134786475 /nfs/dbraw/zinc/78/64/75/1134786475.db2.gz BNJXKMGVZJVNKN-FQEVSTJZSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001191068182 1134786484 /nfs/dbraw/zinc/78/64/84/1134786484.db2.gz BNJXKMGVZJVNKN-FQEVSTJZSA-N 1 2 340.467 3.908 20 0 EHADLO CC(C)c1ccccc1C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001191084613 1134798552 /nfs/dbraw/zinc/79/85/52/1134798552.db2.gz BPVADAPCQHKMBP-UHFFFAOYSA-N 1 2 340.442 3.794 20 0 EHADLO CC(C)c1ccccc1C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001191084613 1134798561 /nfs/dbraw/zinc/79/85/61/1134798561.db2.gz BPVADAPCQHKMBP-UHFFFAOYSA-N 1 2 340.442 3.794 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001191429104 1134865882 /nfs/dbraw/zinc/86/58/82/1134865882.db2.gz JTNKBGHVSDUIHO-UHFFFAOYSA-N 1 2 342.418 3.567 20 0 EHADLO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c(Br)cn1 ZINC001191475989 1134870112 /nfs/dbraw/zinc/87/01/12/1134870112.db2.gz QPFGBGUGASGDOF-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C)c(Br)cn1 ZINC001191475989 1134870114 /nfs/dbraw/zinc/87/01/14/1134870114.db2.gz QPFGBGUGASGDOF-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001191511991 1134878122 /nfs/dbraw/zinc/87/81/22/1134878122.db2.gz CNUBBMDZRSFXHE-CYBMUJFWSA-N 1 2 332.469 3.690 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001191520661 1134878471 /nfs/dbraw/zinc/87/84/71/1134878471.db2.gz JKONQBBPDHINGU-AWEZNQCLSA-N 1 2 345.361 3.891 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001191520661 1134878476 /nfs/dbraw/zinc/87/84/76/1134878476.db2.gz JKONQBBPDHINGU-AWEZNQCLSA-N 1 2 345.361 3.891 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000793253118 1134890551 /nfs/dbraw/zinc/89/05/51/1134890551.db2.gz XSYCRLXTSYNEGO-UHFFFAOYSA-N 1 2 325.412 3.598 20 0 EHADLO Cc1c(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccn1C ZINC000793391157 1134922048 /nfs/dbraw/zinc/92/20/48/1134922048.db2.gz MIODFFVLZIIHST-UHFFFAOYSA-N 1 2 335.407 3.753 20 0 EHADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccsc1)C(=O)OC(C)(C)C ZINC000793619441 1134973548 /nfs/dbraw/zinc/97/35/48/1134973548.db2.gz XVLOWRYBEXFXQE-KBPBESRZSA-N 1 2 328.453 3.527 20 0 EHADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccsc1)C(=O)OC(C)(C)C ZINC000793619441 1134973555 /nfs/dbraw/zinc/97/35/55/1134973555.db2.gz XVLOWRYBEXFXQE-KBPBESRZSA-N 1 2 328.453 3.527 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccc(C)cc3)nc2=S)C1 ZINC000793797673 1134991451 /nfs/dbraw/zinc/99/14/51/1134991451.db2.gz QVCBUELJLVQKOA-CQSZACIVSA-N 1 2 348.541 3.949 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc(C)cc3)nc2=S)C1 ZINC000793797673 1134991454 /nfs/dbraw/zinc/99/14/54/1134991454.db2.gz QVCBUELJLVQKOA-CQSZACIVSA-N 1 2 348.541 3.949 20 0 EHADLO COc1cc2c(cc1OC)C[NH+](Cc1cc(C)c(OC)cc1C)C2 ZINC001203755357 1134992993 /nfs/dbraw/zinc/99/29/93/1134992993.db2.gz OLGQSDZILJNEAC-UHFFFAOYSA-N 1 2 327.424 3.845 20 0 EHADLO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)n1 ZINC001192625352 1135041948 /nfs/dbraw/zinc/04/19/48/1135041948.db2.gz APSANBUGTBLBGS-SECBINFHSA-N 1 2 343.761 3.596 20 0 EHADLO CCCC[C@H](C)NC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001193062634 1135092721 /nfs/dbraw/zinc/09/27/21/1135092721.db2.gz SXFOAUWYGJCIPP-KRWDZBQOSA-N 1 2 346.519 3.524 20 0 EHADLO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000775565784 1135093294 /nfs/dbraw/zinc/09/32/94/1135093294.db2.gz DFAZGNCRKWMWLK-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[C@@H]1CCOCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000775565784 1135093299 /nfs/dbraw/zinc/09/32/99/1135093299.db2.gz DFAZGNCRKWMWLK-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@@H](C)O1 ZINC001193526026 1135151897 /nfs/dbraw/zinc/15/18/97/1135151897.db2.gz GPQIVTMDBLUADK-QAPCUYQASA-N 1 2 345.414 3.854 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@@H](C)O1 ZINC001193526026 1135151903 /nfs/dbraw/zinc/15/19/03/1135151903.db2.gz GPQIVTMDBLUADK-QAPCUYQASA-N 1 2 345.414 3.854 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC001193563236 1135153324 /nfs/dbraw/zinc/15/33/24/1135153324.db2.gz KMJCZLWJHXNKBO-LJQANCHMSA-N 1 2 326.440 3.849 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC001193563236 1135153327 /nfs/dbraw/zinc/15/33/27/1135153327.db2.gz KMJCZLWJHXNKBO-LJQANCHMSA-N 1 2 326.440 3.849 20 0 EHADLO C[C@@H]1C[C@H]1N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001129766015 1135153525 /nfs/dbraw/zinc/15/35/25/1135153525.db2.gz QFOARUYUZITPDG-OXQOHEQNSA-N 1 2 331.419 3.987 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)c(OC)cc1C ZINC001193590142 1135156245 /nfs/dbraw/zinc/15/62/45/1135156245.db2.gz YTKHMFVKQYXMAD-UHFFFAOYSA-N 1 2 348.468 3.702 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000804719580 1135178293 /nfs/dbraw/zinc/17/82/93/1135178293.db2.gz FCJZOOKIOOLTQH-SFHVURJKSA-N 1 2 333.435 3.917 20 0 EHADLO O=C(c1cncc(-c2ccsc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001193988978 1135212203 /nfs/dbraw/zinc/21/22/03/1135212203.db2.gz IESDGEMAPVNTOM-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1cncc(-c2ccsc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001193988978 1135212207 /nfs/dbraw/zinc/21/22/07/1135212207.db2.gz IESDGEMAPVNTOM-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001194056694 1135223483 /nfs/dbraw/zinc/22/34/83/1135223483.db2.gz KWYOYWOBOGSWLS-MRXNPFEDSA-N 1 2 332.787 3.777 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)nc1Cl ZINC001194066017 1135224334 /nfs/dbraw/zinc/22/43/34/1135224334.db2.gz CPGIFPQLGQZGQD-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)nc1Cl ZINC001194066017 1135224341 /nfs/dbraw/zinc/22/43/41/1135224341.db2.gz CPGIFPQLGQZGQD-CQSZACIVSA-N 1 2 335.810 3.621 20 0 EHADLO COc1nscc1C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001194212863 1135244705 /nfs/dbraw/zinc/24/47/05/1135244705.db2.gz IELLHEHPNNODAJ-UHFFFAOYSA-N 1 2 346.374 3.725 20 0 EHADLO COc1nscc1C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001194212863 1135244709 /nfs/dbraw/zinc/24/47/09/1135244709.db2.gz IELLHEHPNNODAJ-UHFFFAOYSA-N 1 2 346.374 3.725 20 0 EHADLO CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC000805614455 1135297671 /nfs/dbraw/zinc/29/76/71/1135297671.db2.gz HLHZNJYEZSFNCJ-OAHLLOKOSA-N 1 2 331.456 3.799 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nn2)[C@H](c2ccco2)C1 ZINC000775608696 1135314316 /nfs/dbraw/zinc/31/43/16/1135314316.db2.gz FCFBGWLSADGIAE-LPHOPBHVSA-N 1 2 336.439 3.893 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@H](c2ccco2)C1 ZINC000775608696 1135314325 /nfs/dbraw/zinc/31/43/25/1135314325.db2.gz FCFBGWLSADGIAE-LPHOPBHVSA-N 1 2 336.439 3.893 20 0 EHADLO O[C@@H](C[N@@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)c(F)c1 ZINC000805841738 1135333972 /nfs/dbraw/zinc/33/39/72/1135333972.db2.gz SWMCLHYFBLRAQV-FQEVSTJZSA-N 1 2 342.389 3.859 20 0 EHADLO O[C@@H](C[N@H+]1CCCn2c(cc3ccccc32)C1)c1ccc(F)c(F)c1 ZINC000805841738 1135333976 /nfs/dbraw/zinc/33/39/76/1135333976.db2.gz SWMCLHYFBLRAQV-FQEVSTJZSA-N 1 2 342.389 3.859 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cccc3[nH]c(=O)ccc23)c1 ZINC001194910647 1135339528 /nfs/dbraw/zinc/33/95/28/1135339528.db2.gz WKQDSSUHDKAZNC-UHFFFAOYSA-N 1 2 344.374 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccc(Cl)cc1 ZINC001194933542 1135348435 /nfs/dbraw/zinc/34/84/35/1135348435.db2.gz UQUVDFRCZIAUNS-NSHDSACASA-N 1 2 329.787 3.946 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Oc1ccc(F)cc1 ZINC001195001314 1135351431 /nfs/dbraw/zinc/35/14/31/1135351431.db2.gz MMDAMGPOJXAZHN-CQSZACIVSA-N 1 2 346.377 3.670 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Oc1ccc(F)cc1 ZINC001195001314 1135351440 /nfs/dbraw/zinc/35/14/40/1135351440.db2.gz MMDAMGPOJXAZHN-CQSZACIVSA-N 1 2 346.377 3.670 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(N)c3ccccc3n2)cc1Cl ZINC001195222846 1135396255 /nfs/dbraw/zinc/39/62/55/1135396255.db2.gz FFLHYQHJGQWXQS-UHFFFAOYSA-N 1 2 342.830 3.506 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(N)c3ccccc3n2)cc1Cl ZINC001195222846 1135396260 /nfs/dbraw/zinc/39/62/60/1135396260.db2.gz FFLHYQHJGQWXQS-UHFFFAOYSA-N 1 2 342.830 3.506 20 0 EHADLO COC(=O)C1([N@H+](CCc2c(F)cccc2Cl)C2CC2)CCC1 ZINC001195393545 1135423205 /nfs/dbraw/zinc/42/32/05/1135423205.db2.gz LDAKHRXRNZUSQS-UHFFFAOYSA-N 1 2 325.811 3.582 20 0 EHADLO COC(=O)C1([N@@H+](CCc2c(F)cccc2Cl)C2CC2)CCC1 ZINC001195393545 1135423209 /nfs/dbraw/zinc/42/32/09/1135423209.db2.gz LDAKHRXRNZUSQS-UHFFFAOYSA-N 1 2 325.811 3.582 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nccc(Cl)c1Cl ZINC001195446527 1135424790 /nfs/dbraw/zinc/42/47/90/1135424790.db2.gz BSTSZBTUHHVQMW-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)n1 ZINC000806538773 1135450850 /nfs/dbraw/zinc/45/08/50/1135450850.db2.gz SUVHFYUVTRUQGW-UHFFFAOYSA-N 1 2 344.777 3.549 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669887 1135464428 /nfs/dbraw/zinc/46/44/28/1135464428.db2.gz SHILBXKGPTTWOT-UKRRQHHQSA-N 1 2 344.842 3.611 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669887 1135464430 /nfs/dbraw/zinc/46/44/30/1135464430.db2.gz SHILBXKGPTTWOT-UKRRQHHQSA-N 1 2 344.842 3.611 20 0 EHADLO CCCCCCOc1cc(C)ccc1CNC(=O)Cc1c[nH+]cn1C ZINC000807040258 1135512668 /nfs/dbraw/zinc/51/26/68/1135512668.db2.gz YABWOFAYHKVTOS-UHFFFAOYSA-N 1 2 343.471 3.547 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc2cc(Br)ccc2c1 ZINC000807080611 1135518068 /nfs/dbraw/zinc/51/80/68/1135518068.db2.gz WXCKULSVNHEHLB-UHFFFAOYSA-N 1 2 344.212 3.897 20 0 EHADLO Brc1cc2c(s1)CC[N@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC001196158225 1135525072 /nfs/dbraw/zinc/52/50/72/1135525072.db2.gz FJRKITFOAMOVAL-OLZOCXBDSA-N 1 2 342.302 3.826 20 0 EHADLO Brc1cc2c(s1)CC[N@@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC001196158225 1135525074 /nfs/dbraw/zinc/52/50/74/1135525074.db2.gz FJRKITFOAMOVAL-OLZOCXBDSA-N 1 2 342.302 3.826 20 0 EHADLO CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC000807198103 1135525533 /nfs/dbraw/zinc/52/55/33/1135525533.db2.gz DAXIWQQPGMLUHQ-MRXNPFEDSA-N 1 2 344.434 3.745 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001196736030 1135605907 /nfs/dbraw/zinc/60/59/07/1135605907.db2.gz JNKHODMXRIWDLH-TZIWHRDSSA-N 1 2 337.463 3.871 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000348222812 1135606734 /nfs/dbraw/zinc/60/67/34/1135606734.db2.gz AMAXKPVXWQRDMV-SFHVURJKSA-N 1 2 344.430 3.719 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808134809 1135621263 /nfs/dbraw/zinc/62/12/63/1135621263.db2.gz ACLHPAPVGYGYMR-QGZVFWFLSA-N 1 2 343.858 3.734 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808134809 1135621265 /nfs/dbraw/zinc/62/12/65/1135621265.db2.gz ACLHPAPVGYGYMR-QGZVFWFLSA-N 1 2 343.858 3.734 20 0 EHADLO O=C1N(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CCN1c1ccccc1 ZINC000808142396 1135623519 /nfs/dbraw/zinc/62/35/19/1135623519.db2.gz QCQLWBPGWCHRNH-IBGZPJMESA-N 1 2 339.414 3.862 20 0 EHADLO O=C1N(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CCN1c1ccccc1 ZINC000808142396 1135623522 /nfs/dbraw/zinc/62/35/22/1135623522.db2.gz QCQLWBPGWCHRNH-IBGZPJMESA-N 1 2 339.414 3.862 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C)n4cc[nH+]c4)cc3)nc12 ZINC000053837780 1135628093 /nfs/dbraw/zinc/62/80/93/1135628093.db2.gz SIBDWNBTDMEVLD-OAHLLOKOSA-N 1 2 345.406 3.706 20 0 EHADLO Fc1ccc(N2CC[NH+](CCc3c(F)cccc3F)CC2)c(F)c1 ZINC001197050802 1135641800 /nfs/dbraw/zinc/64/18/00/1135641800.db2.gz FGDFCQJJHGEOTB-UHFFFAOYSA-N 1 2 338.348 3.608 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1c(Cl)ccnc1C(F)(F)F ZINC001197223228 1135661272 /nfs/dbraw/zinc/66/12/72/1135661272.db2.gz SFYNFMLVMAITBL-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)Cc2cncc3ccccc32)c(N(C)C)[nH+]1 ZINC000808618860 1135701774 /nfs/dbraw/zinc/70/17/74/1135701774.db2.gz LYBBIWVRJKSGRL-CQSZACIVSA-N 1 2 348.450 3.822 20 0 EHADLO Fc1cccc(NC(=S)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001197640742 1135714644 /nfs/dbraw/zinc/71/46/44/1135714644.db2.gz GBTKKQSISMKFMC-UHFFFAOYSA-N 1 2 326.400 3.879 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c[nH+]1 ZINC000747524916 1135720113 /nfs/dbraw/zinc/72/01/13/1135720113.db2.gz FZBLRHLNTWQIIT-UHFFFAOYSA-N 1 2 332.403 3.805 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](Cc1ncc(C)o1)CC2 ZINC001197701185 1135727595 /nfs/dbraw/zinc/72/75/95/1135727595.db2.gz FCLUOASLICZJFK-LJQANCHMSA-N 1 2 328.412 3.510 20 0 EHADLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@@H+](Cc1ncc(C)o1)CC2 ZINC001197701185 1135727599 /nfs/dbraw/zinc/72/75/99/1135727599.db2.gz FCLUOASLICZJFK-LJQANCHMSA-N 1 2 328.412 3.510 20 0 EHADLO C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1nc2ccccc2s1 ZINC000808747053 1135727939 /nfs/dbraw/zinc/72/79/39/1135727939.db2.gz YQCDJIGHKXFQJU-ZDUSSCGKSA-N 1 2 335.436 3.728 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3cccc(-c4ccccn4)c3)ccn12 ZINC001131454514 1135737088 /nfs/dbraw/zinc/73/70/88/1135737088.db2.gz AUNHNJABQOYQFI-UHFFFAOYSA-N 1 2 329.359 3.924 20 0 EHADLO Cc1cccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001198679914 1135846893 /nfs/dbraw/zinc/84/68/93/1135846893.db2.gz XMVIGFYHSCDWMU-KRWDZBQOSA-N 1 2 327.453 3.630 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1cc(F)ccc1F ZINC001198685495 1135846899 /nfs/dbraw/zinc/84/68/99/1135846899.db2.gz LSEDBOSEVCUFBG-CQSZACIVSA-N 1 2 347.283 3.529 20 0 EHADLO C[N@H+](C/C=C/c1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000809538728 1135848697 /nfs/dbraw/zinc/84/86/97/1135848697.db2.gz SJTABRVWICRPEL-SNAWJCMRSA-N 1 2 341.361 3.759 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000809538728 1135848701 /nfs/dbraw/zinc/84/87/01/1135848701.db2.gz SJTABRVWICRPEL-SNAWJCMRSA-N 1 2 341.361 3.759 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccccc1 ZINC000104723977 1135864993 /nfs/dbraw/zinc/86/49/93/1135864993.db2.gz NYCJPZRKPODDAW-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccccc1 ZINC000104723977 1135864997 /nfs/dbraw/zinc/86/49/97/1135864997.db2.gz NYCJPZRKPODDAW-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1F ZINC001137957445 1135866070 /nfs/dbraw/zinc/86/60/70/1135866070.db2.gz BOWHEUMNLPLNPC-YPMHNXCESA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1F ZINC001137957445 1135866074 /nfs/dbraw/zinc/86/60/74/1135866074.db2.gz BOWHEUMNLPLNPC-YPMHNXCESA-N 1 2 343.723 3.706 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](CC(=O)OC)C(=O)OC(C)(C)C ZINC001170585370 1135873871 /nfs/dbraw/zinc/87/38/71/1135873871.db2.gz COWCKBXUCLUTOG-GJZGRUSLSA-N 1 2 329.481 3.598 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCCC[C@@H]3c3nc(C)no3)oc21 ZINC000809718979 1135878355 /nfs/dbraw/zinc/87/83/55/1135878355.db2.gz SPSRCVDNINOLIE-OAHLLOKOSA-N 1 2 327.384 3.860 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCCC[C@@H]3c3nc(C)no3)oc21 ZINC000809718979 1135878359 /nfs/dbraw/zinc/87/83/59/1135878359.db2.gz SPSRCVDNINOLIE-OAHLLOKOSA-N 1 2 327.384 3.860 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC001199127352 1135881619 /nfs/dbraw/zinc/88/16/19/1135881619.db2.gz ZMQBMEZQDHLJBU-LJQANCHMSA-N 1 2 334.398 3.920 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000809753230 1135885637 /nfs/dbraw/zinc/88/56/37/1135885637.db2.gz DFGYLOMTHRCHNR-UHFFFAOYSA-N 1 2 342.830 3.567 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)Cc1ccc(O)cc1 ZINC000809753230 1135885639 /nfs/dbraw/zinc/88/56/39/1135885639.db2.gz DFGYLOMTHRCHNR-UHFFFAOYSA-N 1 2 342.830 3.567 20 0 EHADLO COc1cc2c(c(CNc3ccc(-n4cc[nH+]c4)cc3)c1)O[C@H](C)C2 ZINC001199530979 1135910904 /nfs/dbraw/zinc/91/09/04/1135910904.db2.gz MCZPIORKGXFMAO-CQSZACIVSA-N 1 2 335.407 3.816 20 0 EHADLO Clc1ncc(Br)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000843412602 1135916908 /nfs/dbraw/zinc/91/69/08/1135916908.db2.gz YMUZOCUMFYYACY-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1ncc(Br)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000843412602 1135916909 /nfs/dbraw/zinc/91/69/09/1135916909.db2.gz YMUZOCUMFYYACY-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)o1 ZINC000810078697 1135918863 /nfs/dbraw/zinc/91/88/63/1135918863.db2.gz BXDQGKVYGZPCFY-KRWDZBQOSA-N 1 2 341.455 3.551 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)s1 ZINC000810128190 1135924968 /nfs/dbraw/zinc/92/49/68/1135924968.db2.gz JYSPBWZHZTZGCB-OLZOCXBDSA-N 1 2 344.484 3.775 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776081056 1135949796 /nfs/dbraw/zinc/94/97/96/1135949796.db2.gz VERZAMJDFTZQNC-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3c(ccnc3Cl)o2)c2ccccc2C1 ZINC001132319983 1135971071 /nfs/dbraw/zinc/97/10/71/1135971071.db2.gz LSURGDSFHLASMO-UHFFFAOYSA-N 1 2 341.798 3.573 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3c(ccnc3Cl)o2)c2ccccc2C1 ZINC001132319983 1135971072 /nfs/dbraw/zinc/97/10/72/1135971072.db2.gz LSURGDSFHLASMO-UHFFFAOYSA-N 1 2 341.798 3.573 20 0 EHADLO FCCn1c[nH+]cc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001201007153 1135976789 /nfs/dbraw/zinc/97/67/89/1135976789.db2.gz NEMRJCWQBPUCLY-UHFFFAOYSA-N 1 2 347.246 3.646 20 0 EHADLO FCCn1c[nH+]cc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201173431 1135992192 /nfs/dbraw/zinc/99/21/92/1135992192.db2.gz ZZFWMJSEGQYZKU-UHFFFAOYSA-N 1 2 347.246 3.646 20 0 EHADLO CCc1nc(C)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)s1 ZINC000747623279 1135993407 /nfs/dbraw/zinc/99/34/07/1135993407.db2.gz LQANSVJPHCNBEG-UHFFFAOYSA-N 1 2 348.468 3.524 20 0 EHADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(F)CCCCC1 ZINC000810716179 1135996157 /nfs/dbraw/zinc/99/61/57/1135996157.db2.gz DYEJCTZGBMAUOM-HNNXBMFYSA-N 1 2 333.451 3.598 20 0 EHADLO Cc1cc(C)cc(NC(=S)NCc2c[nH+]c3ccc(F)cn23)c1 ZINC001201214298 1135999397 /nfs/dbraw/zinc/99/93/97/1135999397.db2.gz DTYOPQYZQBHAGS-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO Nc1ccc(Nc2c(F)c(F)c(Br)c(F)c2F)c[nH+]1 ZINC001201284271 1136000822 /nfs/dbraw/zinc/00/08/22/1136000822.db2.gz PSEXZLAELRCWRT-UHFFFAOYSA-N 1 2 336.086 3.726 20 0 EHADLO Cc1nc(Cl)sc1S(=O)(=O)Nc1cc[nH+]c(C2CCC2)c1 ZINC001201735791 1136062137 /nfs/dbraw/zinc/06/21/37/1136062137.db2.gz KWASWAFUXXHGMJ-UHFFFAOYSA-N 1 2 343.861 3.568 20 0 EHADLO OCCSCc1cc[nH+]c(NC/C=C\c2ccc(F)cc2F)c1 ZINC001201872354 1136072229 /nfs/dbraw/zinc/07/22/29/1136072229.db2.gz ICLJIXJKTWTTRE-UPHRSURJSA-N 1 2 336.407 3.711 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(F)cc1F ZINC001202020323 1136082030 /nfs/dbraw/zinc/08/20/30/1136082030.db2.gz GERPYHHUEISNTN-UHFFFAOYSA-N 1 2 342.349 3.814 20 0 EHADLO CCc1nc(C)c(C(=O)Nc2nc(C[NH+](CC)CC)cs2)s1 ZINC000747710204 1136082552 /nfs/dbraw/zinc/08/25/52/1136082552.db2.gz GKHRQZPDNHOQOI-UHFFFAOYSA-N 1 2 338.502 3.565 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1c(Cl)cccc1Cl ZINC001202114554 1136095769 /nfs/dbraw/zinc/09/57/69/1136095769.db2.gz YPBCMIURTBPZMS-UHFFFAOYSA-N 1 2 339.226 3.922 20 0 EHADLO Cc1cccc(C)c1NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001202207747 1136110701 /nfs/dbraw/zinc/11/07/01/1136110701.db2.gz NNDNSPDGWDJYDW-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001202242470 1136119413 /nfs/dbraw/zinc/11/94/13/1136119413.db2.gz NEPKWBJESYLIKY-UHFFFAOYSA-N 1 2 344.846 3.814 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=O)cc2C)cc1 ZINC000811731578 1136131683 /nfs/dbraw/zinc/13/16/83/1136131683.db2.gz HDMFFRPUOYGAMJ-INIZCTEOSA-N 1 2 327.472 3.851 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=O)cc2C)cc1 ZINC000811731578 1136131685 /nfs/dbraw/zinc/13/16/85/1136131685.db2.gz HDMFFRPUOYGAMJ-INIZCTEOSA-N 1 2 327.472 3.851 20 0 EHADLO CCc1nn(C)c(Cl)c1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000811838063 1136143547 /nfs/dbraw/zinc/14/35/47/1136143547.db2.gz RETXCNVBLJLADS-UHFFFAOYSA-N 1 2 348.756 3.584 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000747780695 1136192348 /nfs/dbraw/zinc/19/23/48/1136192348.db2.gz GXUYZSLGEAXYMS-UHFFFAOYSA-N 1 2 344.317 3.848 20 0 EHADLO COc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccc1OCCC(C)C ZINC000850352461 1136239716 /nfs/dbraw/zinc/23/97/16/1136239716.db2.gz XEGRJTAOBWRNHZ-HOCLYGCPSA-N 1 2 344.459 3.507 20 0 EHADLO Cn1cnn(C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1=S ZINC000747813605 1136240292 /nfs/dbraw/zinc/24/02/92/1136240292.db2.gz YMIOVVOLZVCOBX-KRWDZBQOSA-N 1 2 330.501 3.643 20 0 EHADLO Cn1cnn(C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)c1=S ZINC000747813605 1136240296 /nfs/dbraw/zinc/24/02/96/1136240296.db2.gz YMIOVVOLZVCOBX-KRWDZBQOSA-N 1 2 330.501 3.643 20 0 EHADLO FC(F)(F)c1cncc(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000812831557 1136256748 /nfs/dbraw/zinc/25/67/48/1136256748.db2.gz XJKDYCRRKKKNAS-UHFFFAOYSA-N 1 2 336.361 3.572 20 0 EHADLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2ccsc2)CC1 ZINC000007466301 1136282249 /nfs/dbraw/zinc/28/22/49/1136282249.db2.gz AWIGLKPPLOTDGA-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO Cc1ccsc1CCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832971 1136282737 /nfs/dbraw/zinc/28/27/37/1136282737.db2.gz QNTHPVXCVZYLQK-INIZCTEOSA-N 1 2 333.501 3.807 20 0 EHADLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1N ZINC000850773586 1136303575 /nfs/dbraw/zinc/30/35/75/1136303575.db2.gz KRHCUONWOYXWGB-AWEZNQCLSA-N 1 2 344.484 3.549 20 0 EHADLO CC(C)[C@@H]1N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC12CCC2 ZINC000813608849 1136350874 /nfs/dbraw/zinc/35/08/74/1136350874.db2.gz GHYIASUCYGOOTK-SFHVURJKSA-N 1 2 338.455 3.592 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000851397736 1136375964 /nfs/dbraw/zinc/37/59/64/1136375964.db2.gz MCJJXWPORCTCIH-UHFFFAOYSA-N 1 2 336.844 3.870 20 0 EHADLO CC(C)(C)C(=O)CCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400642 1136376672 /nfs/dbraw/zinc/37/66/72/1136376672.db2.gz KUCUFOFLVHFQSQ-UHFFFAOYSA-N 1 2 346.471 3.627 20 0 EHADLO Cc1c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)ccn1C(C)C ZINC000851400935 1136376716 /nfs/dbraw/zinc/37/67/16/1136376716.db2.gz XLPXZAZDMLJMRF-UHFFFAOYSA-N 1 2 341.455 3.846 20 0 EHADLO C[NH+](C)[C@H](C(=O)OC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1 ZINC000814058555 1136391436 /nfs/dbraw/zinc/39/14/36/1136391436.db2.gz VPBXKYWNLGQTTH-AABGKKOBSA-N 1 2 339.435 3.753 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cccc(F)n2)CC1 ZINC000851719709 1136401157 /nfs/dbraw/zinc/40/11/57/1136401157.db2.gz QMJRUKWFDFSHLG-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1cccc(F)n1 ZINC000851718587 1136401229 /nfs/dbraw/zinc/40/12/29/1136401229.db2.gz LZZSXBGLDLIXRU-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cccc(F)n1 ZINC000851718587 1136401230 /nfs/dbraw/zinc/40/12/30/1136401230.db2.gz LZZSXBGLDLIXRU-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000851812187 1136410524 /nfs/dbraw/zinc/41/05/24/1136410524.db2.gz GXQDJFVIOUUDKC-RTBURBONSA-N 1 2 329.440 3.728 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000851812187 1136410526 /nfs/dbraw/zinc/41/05/26/1136410526.db2.gz GXQDJFVIOUUDKC-RTBURBONSA-N 1 2 329.440 3.728 20 0 EHADLO C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814179329 1136412009 /nfs/dbraw/zinc/41/20/09/1136412009.db2.gz BZEGRAZVORPUMM-LJQANCHMSA-N 1 2 349.434 3.551 20 0 EHADLO C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814179329 1136412013 /nfs/dbraw/zinc/41/20/13/1136412013.db2.gz BZEGRAZVORPUMM-LJQANCHMSA-N 1 2 349.434 3.551 20 0 EHADLO C[N@H+](Cc1ccc(SC(F)(F)F)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814180764 1136412355 /nfs/dbraw/zinc/41/23/55/1136412355.db2.gz RUIRHSRWPMJXNM-LBPRGKRZSA-N 1 2 333.375 3.824 20 0 EHADLO C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814180764 1136412356 /nfs/dbraw/zinc/41/23/56/1136412356.db2.gz RUIRHSRWPMJXNM-LBPRGKRZSA-N 1 2 333.375 3.824 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@H]1C(F)(F)F ZINC000851979031 1136424956 /nfs/dbraw/zinc/42/49/56/1136424956.db2.gz SMRWLHOWCSKLPS-LLVKDONJSA-N 1 2 349.784 3.584 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@H]1C(F)(F)F ZINC000851979031 1136424959 /nfs/dbraw/zinc/42/49/59/1136424959.db2.gz SMRWLHOWCSKLPS-LLVKDONJSA-N 1 2 349.784 3.584 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(F)n1 ZINC000852148205 1136436775 /nfs/dbraw/zinc/43/67/75/1136436775.db2.gz QNSLAKIJVVBIPK-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(F)n1 ZINC000852148205 1136436777 /nfs/dbraw/zinc/43/67/77/1136436777.db2.gz QNSLAKIJVVBIPK-UHFFFAOYSA-N 1 2 326.774 3.662 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc(F)n1 ZINC000747934423 1136439373 /nfs/dbraw/zinc/43/93/73/1136439373.db2.gz ABQAFWAWSIUJNX-UHFFFAOYSA-N 1 2 348.784 3.797 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000852546784 1136465025 /nfs/dbraw/zinc/46/50/25/1136465025.db2.gz KDWRULWBCHKMOT-RBUKOAKNSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1C[C@H](O)c1cccc(F)c1 ZINC000852546784 1136465027 /nfs/dbraw/zinc/46/50/27/1136465027.db2.gz KDWRULWBCHKMOT-RBUKOAKNSA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000852549926 1136465484 /nfs/dbraw/zinc/46/54/84/1136465484.db2.gz RHAXVADNGCXQNO-QZTJIDSGSA-N 1 2 346.858 3.621 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)c1ccccn1 ZINC000852549926 1136465486 /nfs/dbraw/zinc/46/54/86/1136465486.db2.gz RHAXVADNGCXQNO-QZTJIDSGSA-N 1 2 346.858 3.621 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000338955564 1136516600 /nfs/dbraw/zinc/51/66/00/1136516600.db2.gz FXKAGEUKFQORCT-AWEZNQCLSA-N 1 2 348.270 3.629 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000338955564 1136516605 /nfs/dbraw/zinc/51/66/05/1136516605.db2.gz FXKAGEUKFQORCT-AWEZNQCLSA-N 1 2 348.270 3.629 20 0 EHADLO Cc1ccc(N2CCCN(c3[nH+]ccc4c(N)cccc43)CC2)cc1 ZINC000853214146 1136517689 /nfs/dbraw/zinc/51/76/89/1136517689.db2.gz GJBFXIIDZMPZJN-UHFFFAOYSA-N 1 2 332.451 3.842 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)n1 ZINC000815062224 1136545563 /nfs/dbraw/zinc/54/55/63/1136545563.db2.gz PZPAFVOUHLYMRI-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccnc(Br)c2)n1 ZINC000815062224 1136545566 /nfs/dbraw/zinc/54/55/66/1136545566.db2.gz PZPAFVOUHLYMRI-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c(=S)n1C ZINC000853588359 1136547050 /nfs/dbraw/zinc/54/70/50/1136547050.db2.gz CXUWZMPARFNIQL-OAHLLOKOSA-N 1 2 346.500 3.989 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@@H](C3CCC3)C2)c(=S)n1C ZINC000853588359 1136547053 /nfs/dbraw/zinc/54/70/53/1136547053.db2.gz CXUWZMPARFNIQL-OAHLLOKOSA-N 1 2 346.500 3.989 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853610741 1136548816 /nfs/dbraw/zinc/54/88/16/1136548816.db2.gz UGVBNMKTQCPTCQ-GOSISDBHSA-N 1 2 339.483 3.955 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c(=O)c2ccccc12 ZINC000853610741 1136548819 /nfs/dbraw/zinc/54/88/19/1136548819.db2.gz UGVBNMKTQCPTCQ-GOSISDBHSA-N 1 2 339.483 3.955 20 0 EHADLO CC1(C)C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](C(F)(F)F)O1 ZINC000815120123 1136552523 /nfs/dbraw/zinc/55/25/23/1136552523.db2.gz BMPWJQXGOXPGLR-IUODEOHRSA-N 1 2 343.345 3.508 20 0 EHADLO CC1(C)C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](C(F)(F)F)O1 ZINC000815120123 1136552526 /nfs/dbraw/zinc/55/25/26/1136552526.db2.gz BMPWJQXGOXPGLR-IUODEOHRSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccnc(Br)c2)C1 ZINC000815092141 1136555136 /nfs/dbraw/zinc/55/51/36/1136555136.db2.gz AOBRWKQZNTWGKK-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000815092141 1136555137 /nfs/dbraw/zinc/55/51/37/1136555137.db2.gz AOBRWKQZNTWGKK-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1ccc2snc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2c1 ZINC000815097922 1136555647 /nfs/dbraw/zinc/55/56/47/1136555647.db2.gz XFKYODLNKFCXDA-OAHLLOKOSA-N 1 2 342.468 3.646 20 0 EHADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C2 ZINC001138011751 1136582533 /nfs/dbraw/zinc/58/25/33/1136582533.db2.gz GXPBPTTXSXHXQN-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1CC[N@H+](Cc1cccc(C(F)(F)F)c1F)C2 ZINC001138011751 1136582537 /nfs/dbraw/zinc/58/25/37/1136582537.db2.gz GXPBPTTXSXHXQN-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO Cc1cc(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)cc[nH+]1 ZINC000112298272 1136621609 /nfs/dbraw/zinc/62/16/09/1136621609.db2.gz TZXYKDQVKAFCIX-UHFFFAOYSA-N 1 2 346.390 3.598 20 0 EHADLO O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc2[nH+]ccn21 ZINC000776763270 1136654466 /nfs/dbraw/zinc/65/44/66/1136654466.db2.gz BODRYCPGBZDUHP-UHFFFAOYSA-N 1 2 328.375 3.572 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)OCCCc1[nH+]ccn1C ZINC000816033525 1136662361 /nfs/dbraw/zinc/66/23/61/1136662361.db2.gz QEKMEBYFDRBHDA-GOSISDBHSA-N 1 2 328.456 3.801 20 0 EHADLO CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135421291 1136685009 /nfs/dbraw/zinc/68/50/09/1136685009.db2.gz FKALICVTVGDOLL-UHFFFAOYSA-N 1 2 339.826 3.727 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816592661 1136735611 /nfs/dbraw/zinc/73/56/11/1136735611.db2.gz QJPVPPNHCSLDEZ-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816592661 1136735612 /nfs/dbraw/zinc/73/56/12/1136735612.db2.gz QJPVPPNHCSLDEZ-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCCOCC1 ZINC001170824816 1136718635 /nfs/dbraw/zinc/71/86/35/1136718635.db2.gz YFJIBQHSMYJUIT-FUHWJXTLSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCCOCC1 ZINC001170824816 1136718638 /nfs/dbraw/zinc/71/86/38/1136718638.db2.gz YFJIBQHSMYJUIT-FUHWJXTLSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2sccc2F)C[C@@H](C)O1 ZINC000338986601 1136754141 /nfs/dbraw/zinc/75/41/41/1136754141.db2.gz DRXRMGVJPDUDMT-CHWSQXEVSA-N 1 2 348.443 3.749 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1-c1ccncc1 ZINC000816836297 1136756309 /nfs/dbraw/zinc/75/63/09/1136756309.db2.gz LWBRZOJMFBYTDR-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccn12 ZINC001135812466 1136775500 /nfs/dbraw/zinc/77/55/00/1136775500.db2.gz OHRNTWUEWKICEO-UHFFFAOYSA-N 1 2 336.420 3.525 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000817120493 1136781196 /nfs/dbraw/zinc/78/11/96/1136781196.db2.gz NRIYSFKCRGCUBH-UHFFFAOYSA-N 1 2 344.475 3.752 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000817120493 1136781200 /nfs/dbraw/zinc/78/12/00/1136781200.db2.gz NRIYSFKCRGCUBH-UHFFFAOYSA-N 1 2 344.475 3.752 20 0 EHADLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000817178673 1136783445 /nfs/dbraw/zinc/78/34/45/1136783445.db2.gz FWQOBRDOJLOCFY-UHFFFAOYSA-N 1 2 345.826 3.529 20 0 EHADLO COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000776895909 1136805473 /nfs/dbraw/zinc/80/54/73/1136805473.db2.gz IBPUDBYCHXHXNW-INIZCTEOSA-N 1 2 335.407 3.710 20 0 EHADLO Cc1cccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)n1 ZINC000817575623 1136821755 /nfs/dbraw/zinc/82/17/55/1136821755.db2.gz IUKQKQNRULDQIZ-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1cc(CNC(=S)NC23CC4CC(CC(C4)C2)C3)cc(C)[nH+]1 ZINC000817562460 1136827633 /nfs/dbraw/zinc/82/76/33/1136827633.db2.gz LFBIEYRUJVOYHH-UHFFFAOYSA-N 1 2 329.513 3.631 20 0 EHADLO Brc1ccc2c(c1)C[C@H]([N@@H+]1CCCCC13COC3)CC2 ZINC001170878928 1136839499 /nfs/dbraw/zinc/83/94/99/1136839499.db2.gz MSLZMVXPRCUFPT-MRXNPFEDSA-N 1 2 336.273 3.561 20 0 EHADLO Brc1ccc2c(c1)C[C@H]([N@H+]1CCCCC13COC3)CC2 ZINC001170878928 1136839500 /nfs/dbraw/zinc/83/95/00/1136839500.db2.gz MSLZMVXPRCUFPT-MRXNPFEDSA-N 1 2 336.273 3.561 20 0 EHADLO C[N@H+](CCCNC(=O)C1CCC1)Cc1csc(C2CCCC2)n1 ZINC000429540079 1136851374 /nfs/dbraw/zinc/85/13/74/1136851374.db2.gz LIVSYVGLDRUZBC-UHFFFAOYSA-N 1 2 335.517 3.539 20 0 EHADLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1csc(C2CCCC2)n1 ZINC000429540079 1136851376 /nfs/dbraw/zinc/85/13/76/1136851376.db2.gz LIVSYVGLDRUZBC-UHFFFAOYSA-N 1 2 335.517 3.539 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1F ZINC001138034816 1136861373 /nfs/dbraw/zinc/86/13/73/1136861373.db2.gz VHGNMFQGLBIQHV-MRXNPFEDSA-N 1 2 338.854 3.764 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1F ZINC001138034816 1136861377 /nfs/dbraw/zinc/86/13/77/1136861377.db2.gz VHGNMFQGLBIQHV-MRXNPFEDSA-N 1 2 338.854 3.764 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccccc2C)c(C)c1 ZINC000818614089 1136886167 /nfs/dbraw/zinc/88/61/67/1136886167.db2.gz QIADGHZRMUPPLC-MRXNPFEDSA-N 1 2 339.439 3.794 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857982850 1136926794 /nfs/dbraw/zinc/92/67/94/1136926794.db2.gz MUTWOFDCWUXGBI-UXHICEINSA-N 1 2 345.446 3.861 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985093 1136927207 /nfs/dbraw/zinc/92/72/07/1136927207.db2.gz GOHITSYDQPYAJV-YGRLFVJLSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(CCCc1cc(Cl)sc1Cl)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984349 1136927360 /nfs/dbraw/zinc/92/73/60/1136927360.db2.gz YSXYXKNTIUOEMK-SNVBAGLBSA-N 1 2 344.267 3.835 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2cccc(Cl)c2)CCCC1 ZINC000857987817 1136927417 /nfs/dbraw/zinc/92/74/17/1136927417.db2.gz ANCUHFMZDYBBAR-OAHLLOKOSA-N 1 2 329.831 3.610 20 0 EHADLO CCCCCCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857989472 1136927899 /nfs/dbraw/zinc/92/78/99/1136927899.db2.gz HUAWOOMTFMPORU-QGZVFWFLSA-N 1 2 327.428 3.717 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858010915 1136929345 /nfs/dbraw/zinc/92/93/45/1136929345.db2.gz ODQODJIIRGPIJN-QGZVFWFLSA-N 1 2 348.450 3.879 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CCC[C@@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858010915 1136929347 /nfs/dbraw/zinc/92/93/47/1136929347.db2.gz ODQODJIIRGPIJN-QGZVFWFLSA-N 1 2 348.450 3.879 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000858012228 1136930099 /nfs/dbraw/zinc/93/00/99/1136930099.db2.gz FHUJQBGHHAPDBI-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000858012228 1136930102 /nfs/dbraw/zinc/93/01/02/1136930102.db2.gz FHUJQBGHHAPDBI-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000858039891 1136934368 /nfs/dbraw/zinc/93/43/68/1136934368.db2.gz LDYVSYCOHMSQMJ-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000858039891 1136934369 /nfs/dbraw/zinc/93/43/69/1136934369.db2.gz LDYVSYCOHMSQMJ-GFCCVEGCSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1cc(NCCC(=O)Nc2ccc(N(C)C)cc2)ccc1[NH+](C)C ZINC000819407825 1136937139 /nfs/dbraw/zinc/93/71/39/1136937139.db2.gz CJMLTTSWBKRKEO-UHFFFAOYSA-N 1 2 340.471 3.568 20 0 EHADLO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cccc2[nH+]ccn21 ZINC000777004451 1136946831 /nfs/dbraw/zinc/94/68/31/1136946831.db2.gz APBFQHNVROMVJA-FQEVSTJZSA-N 1 2 345.377 3.993 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2[nH+]cc(OC)c3cc[nH]c32)c1 ZINC001170930361 1136952788 /nfs/dbraw/zinc/95/27/88/1136952788.db2.gz JVVYZIDFOFARON-NSHDSACASA-N 1 2 327.384 3.762 20 0 EHADLO CCn1nc(C)c(CNc2cc[nH+]c3c(Br)cccc23)n1 ZINC000819933937 1136968101 /nfs/dbraw/zinc/96/81/01/1136968101.db2.gz FFFQCIVEASVUQC-UHFFFAOYSA-N 1 2 346.232 3.529 20 0 EHADLO CC1(C)C[C@@H](NC(=O)c2cccc3[nH+]ccn32)c2ccc(F)cc2O1 ZINC000777032260 1136975285 /nfs/dbraw/zinc/97/52/85/1136975285.db2.gz AZQDRDDUIUNDPU-CQSZACIVSA-N 1 2 339.370 3.506 20 0 EHADLO CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccc(Cl)s1 ZINC000858582403 1136980661 /nfs/dbraw/zinc/98/06/61/1136980661.db2.gz WERFYWDDWIMYFE-LLVKDONJSA-N 1 2 349.891 3.699 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@]3(C)Br)c2)[nH+]c1C ZINC000858741092 1136989900 /nfs/dbraw/zinc/98/99/00/1136989900.db2.gz XNQMRWXPJQRHAM-XJKSGUPXSA-N 1 2 348.244 3.806 20 0 EHADLO COc1ccc(CC2CC[NH+](Cc3cc(Cl)n(C)n3)CC2)cc1 ZINC000859107547 1137003504 /nfs/dbraw/zinc/00/35/04/1137003504.db2.gz JXBHAWFZYIZRST-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)OCc2ccc(Cl)cc2)C1 ZINC000859134689 1137004699 /nfs/dbraw/zinc/00/46/99/1137004699.db2.gz FKRZFMWCENGXGN-AWEZNQCLSA-N 1 2 333.819 3.590 20 0 EHADLO c1ccc([C@@H]([NH2+]Cc2noc(C3CCC3)n2)C2CCOCC2)cc1 ZINC000859234037 1137008933 /nfs/dbraw/zinc/00/89/33/1137008933.db2.gz KTBVWPCCRZUDFE-GOSISDBHSA-N 1 2 327.428 3.595 20 0 EHADLO CCc1c[nH]c(=O)c(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC001136399767 1137013113 /nfs/dbraw/zinc/01/31/13/1137013113.db2.gz MORHYKZZPGUXQF-UHFFFAOYSA-N 1 2 336.395 3.609 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c(C)[nH+]1 ZINC000821439107 1137027306 /nfs/dbraw/zinc/02/73/06/1137027306.db2.gz AMFRLGGVGBYYCL-GOSISDBHSA-N 1 2 339.439 3.642 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(CC(C)C)s2)c1C ZINC001136489771 1137037820 /nfs/dbraw/zinc/03/78/20/1137037820.db2.gz CLMOQOJJMBPDQA-UHFFFAOYSA-N 1 2 332.469 3.897 20 0 EHADLO Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136500713 1137038563 /nfs/dbraw/zinc/03/85/63/1137038563.db2.gz YEWJMLJGSJAWGC-LJQANCHMSA-N 1 2 345.446 3.739 20 0 EHADLO Clc1ncccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000860014118 1137040747 /nfs/dbraw/zinc/04/07/47/1137040747.db2.gz YIOAVYGZGQQTQN-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO CC1(C)C[C@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000860074072 1137043584 /nfs/dbraw/zinc/04/35/84/1137043584.db2.gz RWTOYXZXMZGDTE-MRXNPFEDSA-N 1 2 328.412 3.509 20 0 EHADLO C[C@H](C[N@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)OC(C)(C)C ZINC000860098668 1137043922 /nfs/dbraw/zinc/04/39/22/1137043922.db2.gz YXBYFNMBWXFQQO-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)OC(C)(C)C ZINC000860098668 1137043923 /nfs/dbraw/zinc/04/39/23/1137043923.db2.gz YXBYFNMBWXFQQO-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO FC(F)c1noc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000822593132 1137067340 /nfs/dbraw/zinc/06/73/40/1137067340.db2.gz RXXFHTRIYFCYSA-UHFFFAOYSA-N 1 2 332.354 3.868 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136622842 1137072128 /nfs/dbraw/zinc/07/21/28/1137072128.db2.gz UAWJGPMUZPHHDU-PBHICJAKSA-N 1 2 327.428 3.667 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000822757608 1137073363 /nfs/dbraw/zinc/07/33/63/1137073363.db2.gz HPVVVFRFESQWBA-NHCUHLMSSA-N 1 2 334.463 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@]2(C)CC2(Cl)Cl)c1C ZINC000822863532 1137077922 /nfs/dbraw/zinc/07/79/22/1137077922.db2.gz QFPQBQJUBQEVPS-OAHLLOKOSA-N 1 2 345.270 3.639 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1=S ZINC000117864782 1137085313 /nfs/dbraw/zinc/08/53/13/1137085313.db2.gz ZYZJIJOGDMQUPU-KRWDZBQOSA-N 1 2 345.516 3.603 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1=S ZINC000117864782 1137085315 /nfs/dbraw/zinc/08/53/15/1137085315.db2.gz ZYZJIJOGDMQUPU-KRWDZBQOSA-N 1 2 345.516 3.603 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000823240139 1137092844 /nfs/dbraw/zinc/09/28/44/1137092844.db2.gz TUELPQPWNQUKSW-AWEZNQCLSA-N 1 2 339.867 3.606 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000823240139 1137092846 /nfs/dbraw/zinc/09/28/46/1137092846.db2.gz TUELPQPWNQUKSW-AWEZNQCLSA-N 1 2 339.867 3.606 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000861350132 1137102443 /nfs/dbraw/zinc/10/24/43/1137102443.db2.gz XCVYOGFCZOIPPW-SNVBAGLBSA-N 1 2 343.374 3.520 20 0 EHADLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC001136729249 1137102476 /nfs/dbraw/zinc/10/24/76/1137102476.db2.gz VZXIVZLAZVFNQG-WHCACAGWSA-N 1 2 326.484 3.670 20 0 EHADLO C[N@H+](Cc1c(F)c(F)c(F)c(F)c1F)C[C@](C)(O)c1ccccc1 ZINC000823584552 1137104998 /nfs/dbraw/zinc/10/49/98/1137104998.db2.gz HGQLRIJEOAVWFD-KRWDZBQOSA-N 1 2 345.311 3.722 20 0 EHADLO C[N@@H+](Cc1c(F)c(F)c(F)c(F)c1F)C[C@](C)(O)c1ccccc1 ZINC000823584552 1137104999 /nfs/dbraw/zinc/10/49/99/1137104999.db2.gz HGQLRIJEOAVWFD-KRWDZBQOSA-N 1 2 345.311 3.722 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000861614070 1137114711 /nfs/dbraw/zinc/11/47/11/1137114711.db2.gz VAHNDHGKKIBBDF-AWEZNQCLSA-N 1 2 349.866 3.730 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000861628444 1137115576 /nfs/dbraw/zinc/11/55/76/1137115576.db2.gz SFYIOVAFESPQIU-OAHLLOKOSA-N 1 2 342.443 3.918 20 0 EHADLO CCCC[C@H](CC)CNC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000861655858 1137117259 /nfs/dbraw/zinc/11/72/59/1137117259.db2.gz KLCAPYYENSJZOA-INIZCTEOSA-N 1 2 348.560 3.862 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861655096 1137117337 /nfs/dbraw/zinc/11/73/37/1137117337.db2.gz CYCHXSTVEJWEKY-JTQLQIEISA-N 1 2 344.362 3.705 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@@H]1Cc1ccccc1F ZINC000823980658 1137121334 /nfs/dbraw/zinc/12/13/34/1137121334.db2.gz BGSCPRPUMWAXLZ-MRXNPFEDSA-N 1 2 337.398 3.939 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccccc2O1 ZINC001136821073 1137126164 /nfs/dbraw/zinc/12/61/64/1137126164.db2.gz PULHJTVTLAYPLM-NVXWUHKLSA-N 1 2 347.418 3.746 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3sc(C)cc3C)CC2)s1 ZINC001136855171 1137132336 /nfs/dbraw/zinc/13/23/36/1137132336.db2.gz WLJKOIIJGYQYDS-UHFFFAOYSA-N 1 2 348.537 3.947 20 0 EHADLO C[C@H](C[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1)NC(=O)OC(C)(C)C ZINC000777249860 1137138918 /nfs/dbraw/zinc/13/89/18/1137138918.db2.gz USBUHVPBMFWGRF-LSDHHAIUSA-N 1 2 348.491 3.786 20 0 EHADLO COC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171060423 1137144478 /nfs/dbraw/zinc/14/44/78/1137144478.db2.gz RZUXGLZWFDWEDR-GFCCVEGCSA-N 1 2 328.239 3.536 20 0 EHADLO CCCCn1nc(C)c(C[N@H+](C)[C@@H](CO)c2ccccc2)c1Cl ZINC000824696564 1137148819 /nfs/dbraw/zinc/14/88/19/1137148819.db2.gz PEGPDMZRMCRVPF-KRWDZBQOSA-N 1 2 335.879 3.810 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1Cl ZINC000824696564 1137148820 /nfs/dbraw/zinc/14/88/20/1137148820.db2.gz PEGPDMZRMCRVPF-KRWDZBQOSA-N 1 2 335.879 3.810 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC001136930371 1137150278 /nfs/dbraw/zinc/15/02/78/1137150278.db2.gz OMMJNSPCPCKAMB-UHFFFAOYSA-N 1 2 332.831 3.787 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001136948749 1137155433 /nfs/dbraw/zinc/15/54/33/1137155433.db2.gz OKKQDVBHBVTOQM-UHFFFAOYSA-N 1 2 338.432 3.641 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001136948749 1137155434 /nfs/dbraw/zinc/15/54/34/1137155434.db2.gz OKKQDVBHBVTOQM-UHFFFAOYSA-N 1 2 338.432 3.641 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c2c1 ZINC001136975734 1137159750 /nfs/dbraw/zinc/15/97/50/1137159750.db2.gz PQVFMNNKXRIKCO-QFIPXVFZSA-N 1 2 331.463 3.891 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c2c1 ZINC001136975734 1137159751 /nfs/dbraw/zinc/15/97/51/1137159751.db2.gz PQVFMNNKXRIKCO-QFIPXVFZSA-N 1 2 331.463 3.891 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)o1 ZINC000825084283 1137164871 /nfs/dbraw/zinc/16/48/71/1137164871.db2.gz DHURAGVOZMVVCA-UHFFFAOYSA-N 1 2 339.226 3.871 20 0 EHADLO O=C1CC2(CC[NH+](Cc3cncc(Cl)c3)CC2)c2cc(F)ccc21 ZINC001136989677 1137165766 /nfs/dbraw/zinc/16/57/66/1137165766.db2.gz OPRVVXOYVQYWGT-UHFFFAOYSA-N 1 2 344.817 3.994 20 0 EHADLO Fc1cccc(CC2CC[NH+](Cc3nc(CC4CC4)no3)CC2)c1F ZINC001171078666 1137170394 /nfs/dbraw/zinc/17/03/94/1137170394.db2.gz OQEDMZYISROOSA-UHFFFAOYSA-N 1 2 347.409 3.755 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000863255333 1137178140 /nfs/dbraw/zinc/17/81/40/1137178140.db2.gz CPIXOOOEBPCDOV-IAGOWNOFSA-N 1 2 337.467 3.697 20 0 EHADLO COc1ccc2c(c1)CN(C[NH+]1CCC(c3ccsc3)CC1)C2=O ZINC000863265487 1137178948 /nfs/dbraw/zinc/17/89/48/1137178948.db2.gz WRULSEGFPYPNKZ-UHFFFAOYSA-N 1 2 342.464 3.550 20 0 EHADLO S=c1nc(-c2ccccc2)[nH]n1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295500 1137180086 /nfs/dbraw/zinc/18/00/86/1137180086.db2.gz WIJOYFQWKLVGRY-KGLIPLIRSA-N 1 2 332.498 3.535 20 0 EHADLO S=c1nc(-c2ccccc2)[nH]n1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295500 1137180087 /nfs/dbraw/zinc/18/00/87/1137180087.db2.gz WIJOYFQWKLVGRY-KGLIPLIRSA-N 1 2 332.498 3.535 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(C(F)F)n(C)c1=S)C1CCCCC1 ZINC000863314997 1137180810 /nfs/dbraw/zinc/18/08/10/1137180810.db2.gz HAPAGOGBXXASNC-LLVKDONJSA-N 1 2 332.464 3.994 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(C(F)F)n(C)c1=S)C1CCCCC1 ZINC000863314997 1137180811 /nfs/dbraw/zinc/18/08/11/1137180811.db2.gz HAPAGOGBXXASNC-LLVKDONJSA-N 1 2 332.464 3.994 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1=S ZINC000863321466 1137180967 /nfs/dbraw/zinc/18/09/67/1137180967.db2.gz WHDXPPTVSHBNHW-YESZJQIVSA-N 1 2 342.512 3.862 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1=S ZINC000863321466 1137180969 /nfs/dbraw/zinc/18/09/69/1137180969.db2.gz WHDXPPTVSHBNHW-YESZJQIVSA-N 1 2 342.512 3.862 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341510 1137181776 /nfs/dbraw/zinc/18/17/76/1137181776.db2.gz RSJMHLFLHRNCAO-OGZRUICASA-N 1 2 345.516 3.821 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000863341510 1137181778 /nfs/dbraw/zinc/18/17/78/1137181778.db2.gz RSJMHLFLHRNCAO-OGZRUICASA-N 1 2 345.516 3.821 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Br ZINC001143647166 1137186311 /nfs/dbraw/zinc/18/63/11/1137186311.db2.gz CFVHUFVWGIGQIY-GFCCVEGCSA-N 1 2 337.183 3.722 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Br ZINC001143647166 1137186312 /nfs/dbraw/zinc/18/63/12/1137186312.db2.gz CFVHUFVWGIGQIY-GFCCVEGCSA-N 1 2 337.183 3.722 20 0 EHADLO O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1F ZINC001143698688 1137190653 /nfs/dbraw/zinc/19/06/53/1137190653.db2.gz KHMIQPQECDVXPK-RYUDHWBXSA-N 1 2 341.732 3.533 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1F ZINC001143698688 1137190654 /nfs/dbraw/zinc/19/06/54/1137190654.db2.gz KHMIQPQECDVXPK-RYUDHWBXSA-N 1 2 341.732 3.533 20 0 EHADLO O=C(Nc1cccc(SC(F)(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000863618456 1137195064 /nfs/dbraw/zinc/19/50/64/1137195064.db2.gz QRVPRDACMBVVBT-SNVBAGLBSA-N 1 2 341.358 3.696 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001143745165 1137195668 /nfs/dbraw/zinc/19/56/68/1137195668.db2.gz OAECDGUYMXLTMH-HNNXBMFYSA-N 1 2 349.780 3.878 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001143745165 1137195670 /nfs/dbraw/zinc/19/56/70/1137195670.db2.gz OAECDGUYMXLTMH-HNNXBMFYSA-N 1 2 349.780 3.878 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2cnn(CC)c21 ZINC001143761069 1137196279 /nfs/dbraw/zinc/19/62/79/1137196279.db2.gz FUMNAGKNMIVTPO-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2cnn(CC)c21 ZINC001143761069 1137196280 /nfs/dbraw/zinc/19/62/80/1137196280.db2.gz FUMNAGKNMIVTPO-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2C)Cc2cn(CC)nc21 ZINC001143763380 1137196472 /nfs/dbraw/zinc/19/64/72/1137196472.db2.gz HZYKPVDJROIFII-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2C)Cc2cn(CC)nc21 ZINC001143763380 1137196473 /nfs/dbraw/zinc/19/64/73/1137196473.db2.gz HZYKPVDJROIFII-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(Cc3c(C)cc(C)cc3C)no2)c1 ZINC000863660655 1137197634 /nfs/dbraw/zinc/19/76/34/1137197634.db2.gz WDELLTLHRKXSHJ-IBGZPJMESA-N 1 2 337.423 3.642 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001143757771 1137197731 /nfs/dbraw/zinc/19/77/31/1137197731.db2.gz MOTHNUHBEQPKED-CQSZACIVSA-N 1 2 327.371 3.799 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001143757771 1137197732 /nfs/dbraw/zinc/19/77/32/1137197732.db2.gz MOTHNUHBEQPKED-CQSZACIVSA-N 1 2 327.371 3.799 20 0 EHADLO Clc1cc(Cl)c(C[NH+]2CCC3(CC2)OCCO3)c(Cl)c1 ZINC001143797661 1137200610 /nfs/dbraw/zinc/20/06/10/1137200610.db2.gz NWAPSYFUBHVIPH-UHFFFAOYSA-N 1 2 336.646 3.986 20 0 EHADLO O=C1CCC2(CC[NH+](Cc3c(Cl)cc(Cl)cc3Cl)CC2)N1 ZINC001143800601 1137200768 /nfs/dbraw/zinc/20/07/68/1137200768.db2.gz LIJDJYUZLSHXCI-UHFFFAOYSA-N 1 2 347.673 3.891 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1F ZINC001143825383 1137202341 /nfs/dbraw/zinc/20/23/41/1137202341.db2.gz LJNPTPFSYATUEY-WFASDCNBSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1F ZINC001143825383 1137202342 /nfs/dbraw/zinc/20/23/42/1137202342.db2.gz LJNPTPFSYATUEY-WFASDCNBSA-N 1 2 327.827 3.879 20 0 EHADLO C[N@H+](CCc1ccccn1)Cc1c(F)ccc(F)c1Br ZINC001143810989 1137202640 /nfs/dbraw/zinc/20/26/40/1137202640.db2.gz BDUFQIMTCRKKJG-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1ccccn1)Cc1c(F)ccc(F)c1Br ZINC001143810989 1137202642 /nfs/dbraw/zinc/20/26/42/1137202642.db2.gz BDUFQIMTCRKKJG-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4c(Cl)n3)[C@@H]2C1 ZINC000794560718 1137204020 /nfs/dbraw/zinc/20/40/20/1137204020.db2.gz NULBLMPZUAFNJZ-NXHRZFHOSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc4ccccc4c(Cl)n3)[C@@H]2C1 ZINC000794560718 1137204021 /nfs/dbraw/zinc/20/40/21/1137204021.db2.gz NULBLMPZUAFNJZ-NXHRZFHOSA-N 1 2 346.858 3.657 20 0 EHADLO Cc1cc(NC(=O)Cc2cc(F)c(F)cc2F)ccc1-n1cc[nH+]c1 ZINC001143939272 1137216382 /nfs/dbraw/zinc/21/63/82/1137216382.db2.gz BTIPDXPQJWZXOR-UHFFFAOYSA-N 1 2 345.324 3.779 20 0 EHADLO Cc1cc(NC(=O)Cc2nc(C3CC3)cs2)ccc1-n1cc[nH+]c1 ZINC001143940409 1137216609 /nfs/dbraw/zinc/21/66/09/1137216609.db2.gz YYQHAXVLJZVYEY-UHFFFAOYSA-N 1 2 338.436 3.696 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421466 1137219608 /nfs/dbraw/zinc/21/96/08/1137219608.db2.gz IAHAPFWPVGMYJA-IAQYHMDHSA-N 1 2 330.255 3.670 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C2(CCC2)CO1 ZINC000844421466 1137219609 /nfs/dbraw/zinc/21/96/09/1137219609.db2.gz IAHAPFWPVGMYJA-IAQYHMDHSA-N 1 2 330.255 3.670 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001143970817 1137220194 /nfs/dbraw/zinc/22/01/94/1137220194.db2.gz MAJGFJQTLZDTQR-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO COc1ccc(F)c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001143970817 1137220196 /nfs/dbraw/zinc/22/01/96/1137220196.db2.gz MAJGFJQTLZDTQR-PSASIEDQSA-N 1 2 327.268 3.553 20 0 EHADLO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000844408509 1137220395 /nfs/dbraw/zinc/22/03/95/1137220395.db2.gz DUVDGWLZNZRZAM-QAQDUYKDSA-N 1 2 343.515 3.664 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001143984265 1137220858 /nfs/dbraw/zinc/22/08/58/1137220858.db2.gz QYOCXCCJMDOPQS-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001143984265 1137220860 /nfs/dbraw/zinc/22/08/60/1137220860.db2.gz QYOCXCCJMDOPQS-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452121 1137221145 /nfs/dbraw/zinc/22/11/45/1137221145.db2.gz LSYISFNRUKXNJQ-BBWFWOEESA-N 1 2 346.352 3.702 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452121 1137221146 /nfs/dbraw/zinc/22/11/46/1137221146.db2.gz LSYISFNRUKXNJQ-BBWFWOEESA-N 1 2 346.352 3.702 20 0 EHADLO FC1(F)[C@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@H]21 ZINC000844454284 1137221371 /nfs/dbraw/zinc/22/13/71/1137221371.db2.gz SRXYTOGKQKUQJE-AOOOYVTPSA-N 1 2 346.164 3.740 20 0 EHADLO FC1(F)[C@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@H]21 ZINC000844454284 1137221372 /nfs/dbraw/zinc/22/13/72/1137221372.db2.gz SRXYTOGKQKUQJE-AOOOYVTPSA-N 1 2 346.164 3.740 20 0 EHADLO COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453466 1137221382 /nfs/dbraw/zinc/22/13/82/1137221382.db2.gz PHUFYQUSKHMUQQ-AOOOYVTPSA-N 1 2 341.354 3.524 20 0 EHADLO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453466 1137221384 /nfs/dbraw/zinc/22/13/84/1137221384.db2.gz PHUFYQUSKHMUQQ-AOOOYVTPSA-N 1 2 341.354 3.524 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441032 1137223691 /nfs/dbraw/zinc/22/36/91/1137223691.db2.gz YKHVKTYDEKTRFG-SUMWQHHRSA-N 1 2 333.382 3.843 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441032 1137223692 /nfs/dbraw/zinc/22/36/92/1137223692.db2.gz YKHVKTYDEKTRFG-SUMWQHHRSA-N 1 2 333.382 3.843 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1cnc(C)cn1 ZINC000844444095 1137224365 /nfs/dbraw/zinc/22/43/65/1137224365.db2.gz PSSGJBXTSOPATI-MRXNPFEDSA-N 1 2 331.847 3.956 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1cnc(C)cn1 ZINC000844444095 1137224366 /nfs/dbraw/zinc/22/43/66/1137224366.db2.gz PSSGJBXTSOPATI-MRXNPFEDSA-N 1 2 331.847 3.956 20 0 EHADLO Cc1ccc([C@@H]2CC[N@@H+](Cn3nc(N(C)C)sc3=S)C2)c(C)c1 ZINC000794656132 1137224552 /nfs/dbraw/zinc/22/45/52/1137224552.db2.gz POAOILOYMFIUIL-CQSZACIVSA-N 1 2 348.541 3.804 20 0 EHADLO Cc1ccc([C@@H]2CC[N@H+](Cn3nc(N(C)C)sc3=S)C2)c(C)c1 ZINC000794656132 1137224553 /nfs/dbraw/zinc/22/45/53/1137224553.db2.gz POAOILOYMFIUIL-CQSZACIVSA-N 1 2 348.541 3.804 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(C(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000844478792 1137224860 /nfs/dbraw/zinc/22/48/60/1137224860.db2.gz KFAJLMAUFZUTPU-CQSZACIVSA-N 1 2 344.411 3.533 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144006693 1137225622 /nfs/dbraw/zinc/22/56/22/1137225622.db2.gz RTXQYMRNRJVGFI-UHFFFAOYSA-N 1 2 347.418 3.892 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000794677392 1137225634 /nfs/dbraw/zinc/22/56/34/1137225634.db2.gz DTUAUWBRQFZWGQ-UHFFFAOYSA-N 1 2 343.862 3.798 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1cccnc1 ZINC000794684807 1137226308 /nfs/dbraw/zinc/22/63/08/1137226308.db2.gz IZILGSUJYAFMJR-HNNXBMFYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H]2CCC(C)(C)C2)nc1-c1cccnc1 ZINC000794684807 1137226310 /nfs/dbraw/zinc/22/63/10/1137226310.db2.gz IZILGSUJYAFMJR-HNNXBMFYSA-N 1 2 345.516 3.964 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCc3ccc(OC)cc3C2)cc1F ZINC001144023144 1137229637 /nfs/dbraw/zinc/22/96/37/1137229637.db2.gz QHTAGFYNGKANBD-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCc3ccc(OC)cc3C2)cc1F ZINC001144023144 1137229639 /nfs/dbraw/zinc/22/96/39/1137229639.db2.gz QHTAGFYNGKANBD-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO COC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171138020 1137238023 /nfs/dbraw/zinc/23/80/23/1137238023.db2.gz ALRXXWDUHGJFGE-GFCCVEGCSA-N 1 2 328.239 3.536 20 0 EHADLO CC(C)(C)c1ccc2[nH]c(C(=O)N3CC(Oc4cc[nH+]cc4)C3)cc2c1 ZINC001144097872 1137238392 /nfs/dbraw/zinc/23/83/92/1137238392.db2.gz ITGFDMQJZRPFHM-UHFFFAOYSA-N 1 2 349.434 3.764 20 0 EHADLO Cc1cccc(-c2cccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)c2)c1 ZINC001144097341 1137238458 /nfs/dbraw/zinc/23/84/58/1137238458.db2.gz CTKDXMDPXFVEAM-UHFFFAOYSA-N 1 2 344.414 3.960 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)nc1 ZINC001144133401 1137242813 /nfs/dbraw/zinc/24/28/13/1137242813.db2.gz AIJCUHLZRHLOKD-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)nc1 ZINC001144133401 1137242815 /nfs/dbraw/zinc/24/28/15/1137242815.db2.gz AIJCUHLZRHLOKD-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccc(SC2CCCC2)cc1 ZINC000864822028 1137247714 /nfs/dbraw/zinc/24/77/14/1137247714.db2.gz WZAABZYBRQXTHX-UTCJRWHESA-N 1 2 346.496 3.548 20 0 EHADLO FC1(F)C[C@]12CCC[N@H+](Cn1nc(-c3ccccc3)oc1=S)C2 ZINC000844745274 1137249287 /nfs/dbraw/zinc/24/92/87/1137249287.db2.gz AKRXJAWVLNHHES-HNNXBMFYSA-N 1 2 337.395 3.951 20 0 EHADLO FC1(F)C[C@]12CCC[N@@H+](Cn1nc(-c3ccccc3)oc1=S)C2 ZINC000844745274 1137249289 /nfs/dbraw/zinc/24/92/89/1137249289.db2.gz AKRXJAWVLNHHES-HNNXBMFYSA-N 1 2 337.395 3.951 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844758064 1137250271 /nfs/dbraw/zinc/25/02/71/1137250271.db2.gz IXVCYPOCYGXQRU-ZDUSSCGKSA-N 1 2 348.491 3.891 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844758064 1137250272 /nfs/dbraw/zinc/25/02/72/1137250272.db2.gz IXVCYPOCYGXQRU-ZDUSSCGKSA-N 1 2 348.491 3.891 20 0 EHADLO Cc1cccc(C)c1N1CC[NH+](Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144200957 1137250487 /nfs/dbraw/zinc/25/04/87/1137250487.db2.gz ROCUBHPRNMDSPC-UHFFFAOYSA-N 1 2 338.430 3.641 20 0 EHADLO C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864912962 1137252104 /nfs/dbraw/zinc/25/21/04/1137252104.db2.gz RIOMUPAGOCXZCG-BENAYJGTSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864912962 1137252105 /nfs/dbraw/zinc/25/21/05/1137252105.db2.gz RIOMUPAGOCXZCG-BENAYJGTSA-N 1 2 342.483 3.526 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)C1CC1 ZINC000794804008 1137255473 /nfs/dbraw/zinc/25/54/73/1137255473.db2.gz SALFDWARZCFNJV-SJCJKPOMSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)C1CC1 ZINC000794804008 1137255474 /nfs/dbraw/zinc/25/54/74/1137255474.db2.gz SALFDWARZCFNJV-SJCJKPOMSA-N 1 2 341.373 3.836 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc(C(F)F)cc2)c1C ZINC000865064793 1137261035 /nfs/dbraw/zinc/26/10/35/1137261035.db2.gz WUHUIPKRIIJODV-UHFFFAOYSA-N 1 2 348.393 3.894 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC2(CSC2)C1 ZINC000865065568 1137261187 /nfs/dbraw/zinc/26/11/87/1137261187.db2.gz PVTPMPMRMFBULS-UHFFFAOYSA-N 1 2 333.844 3.607 20 0 EHADLO CC[C@H](C)Sc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)c(C)c1 ZINC000865070902 1137261515 /nfs/dbraw/zinc/26/15/15/1137261515.db2.gz MIQJYXJMUYKANY-KJPDOMRESA-N 1 2 348.512 3.713 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865141142 1137264938 /nfs/dbraw/zinc/26/49/38/1137264938.db2.gz PRFZMUVQVLPYTR-HSBSLETESA-N 1 2 349.356 3.848 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158739 1137265805 /nfs/dbraw/zinc/26/58/05/1137265805.db2.gz MNHJYHGWMCXLSK-YLQKULKDSA-N 1 2 349.356 3.693 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158724 1137265871 /nfs/dbraw/zinc/26/58/71/1137265871.db2.gz MMDBVNPMKFACGP-PZJWPPBQSA-N 1 2 339.483 3.952 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(OC(C)C)ccn1)c1ccccc1 ZINC000845122517 1137275024 /nfs/dbraw/zinc/27/50/24/1137275024.db2.gz KZAIKHLBEPOWBK-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(OC(C)C)ccn1)c1ccccc1 ZINC000845122517 1137275026 /nfs/dbraw/zinc/27/50/26/1137275026.db2.gz KZAIKHLBEPOWBK-LJQANCHMSA-N 1 2 342.439 3.605 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)N1 ZINC001144343553 1137276072 /nfs/dbraw/zinc/27/60/72/1137276072.db2.gz NZFLBNZCCJUZAU-ZDUSSCGKSA-N 1 2 348.368 3.693 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)N1 ZINC001144343553 1137276074 /nfs/dbraw/zinc/27/60/74/1137276074.db2.gz NZFLBNZCCJUZAU-ZDUSSCGKSA-N 1 2 348.368 3.693 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1nc2ccccc2[nH]1 ZINC000865413750 1137281384 /nfs/dbraw/zinc/28/13/84/1137281384.db2.gz WGBSTBJKOIGYIK-KRWDZBQOSA-N 1 2 336.395 3.897 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279334 1137283267 /nfs/dbraw/zinc/28/32/67/1137283267.db2.gz ZTRXBHJEEUHIHM-LSDHHAIUSA-N 1 2 343.427 3.528 20 0 EHADLO C[C@H](CC(=O)OCCCOc1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000845282995 1137283467 /nfs/dbraw/zinc/28/34/67/1137283467.db2.gz WUDPIWHNFWZHHD-MRXNPFEDSA-N 1 2 338.407 4.000 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000865445667 1137284524 /nfs/dbraw/zinc/28/45/24/1137284524.db2.gz LIKTZTJZNSYJGW-UHFFFAOYSA-N 1 2 339.222 3.840 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1Br)CCO2 ZINC000865455398 1137285423 /nfs/dbraw/zinc/28/54/23/1137285423.db2.gz GCRFDOFAPRUNCX-ZDUSSCGKSA-N 1 2 337.192 3.597 20 0 EHADLO CCCC1CC[NH+](Cc2cc(I)c[nH]2)CC1 ZINC001144404006 1137285921 /nfs/dbraw/zinc/28/59/21/1137285921.db2.gz QDAKIHPXUIDROG-UHFFFAOYSA-N 1 2 332.229 3.631 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865479489 1137287579 /nfs/dbraw/zinc/28/75/79/1137287579.db2.gz KSPXHUYROISFJF-UHFFFAOYSA-N 1 2 327.762 3.763 20 0 EHADLO CSc1cc(C[NH2+]Cc2nccc(C)c2Br)ccn1 ZINC000865517648 1137290972 /nfs/dbraw/zinc/29/09/72/1137290972.db2.gz GVXPBPXGOULFFI-UHFFFAOYSA-N 1 2 338.274 3.559 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Oc1ccccc1Oc1ccccn1 ZINC000845457070 1137293122 /nfs/dbraw/zinc/29/31/22/1137293122.db2.gz RDEXMWDNVKVEMD-UHFFFAOYSA-N 1 2 349.390 3.555 20 0 EHADLO C[C@@H](CC(=O)OC1(c2ccccc2Br)CC1)n1cc[nH+]c1 ZINC000845490989 1137294810 /nfs/dbraw/zinc/29/48/10/1137294810.db2.gz APQMZEUHMZCLQT-LBPRGKRZSA-N 1 2 349.228 3.829 20 0 EHADLO C[C@H](C[C@H](O)c1ccco1)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865611291 1137298497 /nfs/dbraw/zinc/29/84/97/1137298497.db2.gz IFTUXFIDTZKMJI-ZBFHGGJFSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@H](C[C@H](O)c1ccco1)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865611291 1137298498 /nfs/dbraw/zinc/29/84/98/1137298498.db2.gz IFTUXFIDTZKMJI-ZBFHGGJFSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@H]1CCN(c2nc(Cl)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000865610824 1137298633 /nfs/dbraw/zinc/29/86/33/1137298633.db2.gz ADITYEPXYWLQJM-SWLSCSKDSA-N 1 2 327.819 3.567 20 0 EHADLO CCc1nc(C(C)C)ccc1COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845584697 1137300229 /nfs/dbraw/zinc/30/02/29/1137300229.db2.gz WTVCTGYZKPDUPG-UHFFFAOYSA-N 1 2 341.455 3.586 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@]1(C)C[C@]1(F)Cl ZINC000845651696 1137303589 /nfs/dbraw/zinc/30/35/89/1137303589.db2.gz OLJUONDUOUNEEF-HUUCEWRRSA-N 1 2 325.819 3.698 20 0 EHADLO Cc1cc(C[NH+]2CC3(C2)CCOCC3)c(F)cc1Br ZINC001144588332 1137313561 /nfs/dbraw/zinc/31/35/61/1137313561.db2.gz NXSAEVISPQMGSH-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(COc4ccccc43)CC2)c(F)c1 ZINC001144560837 1137309955 /nfs/dbraw/zinc/30/99/55/1137309955.db2.gz AWKUCPPOCYOVEV-UHFFFAOYSA-N 1 2 331.362 3.597 20 0 EHADLO COc1cncc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000865790104 1137312371 /nfs/dbraw/zinc/31/23/71/1137312371.db2.gz IRNJCKSUQCXMRL-UHFFFAOYSA-N 1 2 328.746 3.635 20 0 EHADLO Fc1ccc2c(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)noc2c1 ZINC000865836509 1137315415 /nfs/dbraw/zinc/31/54/15/1137315415.db2.gz HWRRJGRLVCCLTO-CQSZACIVSA-N 1 2 333.388 3.565 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1noc3cc(F)ccc13)O[C@H](C)C2 ZINC000865836226 1137315556 /nfs/dbraw/zinc/31/55/56/1137315556.db2.gz WWIUYOFUCFCSFE-LLVKDONJSA-N 1 2 342.370 3.589 20 0 EHADLO O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CC(n2cc[nH+]c2)C1 ZINC000865878522 1137318348 /nfs/dbraw/zinc/31/83/48/1137318348.db2.gz QGXFPPAHDYLSQA-ZWKOTPCHSA-N 1 2 343.858 3.894 20 0 EHADLO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC001144690133 1137331210 /nfs/dbraw/zinc/33/12/10/1137331210.db2.gz WWNDYTZWAXIPJL-GFCCVEGCSA-N 1 2 330.653 3.904 20 0 EHADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC001144690133 1137331212 /nfs/dbraw/zinc/33/12/12/1137331212.db2.gz WWNDYTZWAXIPJL-GFCCVEGCSA-N 1 2 330.653 3.904 20 0 EHADLO Cc1cc(N2CCC(c3nc(C4CCC4)no3)CC2)nc(C2CC2)[nH+]1 ZINC000866199647 1137335002 /nfs/dbraw/zinc/33/50/02/1137335002.db2.gz BVJRIENGNVIEBJ-UHFFFAOYSA-N 1 2 339.443 3.697 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)CCC(=O)N2 ZINC000866236645 1137337590 /nfs/dbraw/zinc/33/75/90/1137337590.db2.gz DKLYNTGAAHCNBZ-KRYHZZBUSA-N 1 2 340.398 3.694 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144729553 1137337748 /nfs/dbraw/zinc/33/77/48/1137337748.db2.gz QIXIOQWABLDNRB-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)cs1 ZINC000866360016 1137349516 /nfs/dbraw/zinc/34/95/16/1137349516.db2.gz BWWKWMBFEQNUPA-SECBINFHSA-N 1 2 337.832 3.935 20 0 EHADLO CC(C)[C@H](O)[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866394896 1137351310 /nfs/dbraw/zinc/35/13/10/1137351310.db2.gz XEHXJMFTCVCIFF-LMCOJAPRSA-N 1 2 329.415 3.806 20 0 EHADLO O=C(C=Cc1ccccc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866420964 1137353282 /nfs/dbraw/zinc/35/32/82/1137353282.db2.gz UAEKXNPRBARBMP-AATRIKPKSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1ccccc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866420964 1137353284 /nfs/dbraw/zinc/35/32/84/1137353284.db2.gz UAEKXNPRBARBMP-AATRIKPKSA-N 1 2 349.356 3.848 20 0 EHADLO COCC[NH+](CCOC)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846763192 1137363994 /nfs/dbraw/zinc/36/39/94/1137363994.db2.gz NLKZOYPJUXTDEZ-UHFFFAOYSA-N 1 2 343.254 3.636 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866563654 1137364890 /nfs/dbraw/zinc/36/48/90/1137364890.db2.gz PFKZJJZJSXDGCT-VIFPVBQESA-N 1 2 329.778 3.871 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846818070 1137369569 /nfs/dbraw/zinc/36/95/69/1137369569.db2.gz SFUJIORDIYBNHT-GFCCVEGCSA-N 1 2 342.842 3.818 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846818070 1137369571 /nfs/dbraw/zinc/36/95/71/1137369571.db2.gz SFUJIORDIYBNHT-GFCCVEGCSA-N 1 2 342.842 3.818 20 0 EHADLO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]Cc1ncc(Br)s1 ZINC000866616641 1137369844 /nfs/dbraw/zinc/36/98/44/1137369844.db2.gz RSFWKVRKASZNQF-NSHDSACASA-N 1 2 345.212 3.961 20 0 EHADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2cccs2)oc1=S ZINC000121179252 1137374211 /nfs/dbraw/zinc/37/42/11/1137374211.db2.gz ZDKWIIAQXGUJNK-UHFFFAOYSA-N 1 2 339.486 3.640 20 0 EHADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2cccs2)oc1=S ZINC000121179252 1137374213 /nfs/dbraw/zinc/37/42/13/1137374213.db2.gz ZDKWIIAQXGUJNK-UHFFFAOYSA-N 1 2 339.486 3.640 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)NCc1c[nH+]cn1C1CCC1 ZINC001144981427 1137377474 /nfs/dbraw/zinc/37/74/74/1137377474.db2.gz PVGMMJUBXPEEHH-UHFFFAOYSA-N 1 2 336.439 3.729 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nc(-c2cccs2)no1)OCC ZINC000846970885 1137377523 /nfs/dbraw/zinc/37/75/23/1137377523.db2.gz MLCOJIQAPNMRDO-LBPRGKRZSA-N 1 2 339.461 3.580 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nc(-c2cccs2)no1)OCC ZINC000846970885 1137377525 /nfs/dbraw/zinc/37/75/25/1137377525.db2.gz MLCOJIQAPNMRDO-LBPRGKRZSA-N 1 2 339.461 3.580 20 0 EHADLO CC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000846952875 1137378588 /nfs/dbraw/zinc/37/85/88/1137378588.db2.gz IIKJIYXOIXZUNI-LBPRGKRZSA-N 1 2 331.391 3.546 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC(c2ccco2)CC1 ZINC001146438689 1137390416 /nfs/dbraw/zinc/39/04/16/1137390416.db2.gz VCICXQWFXPWZQI-UHFFFAOYSA-N 1 2 347.418 3.860 20 0 EHADLO c1ccc(COc2cc(N[C@H]3COCc4ccccc43)cc[nH+]2)nc1 ZINC001171300790 1137402711 /nfs/dbraw/zinc/40/27/11/1137402711.db2.gz KKFIUYFVOBGVIF-IBGZPJMESA-N 1 2 333.391 3.739 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC000868565778 1137414422 /nfs/dbraw/zinc/41/44/22/1137414422.db2.gz IMQQDXLANMRUEJ-UGSOOPFHSA-N 1 2 329.831 3.722 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000868621789 1137416864 /nfs/dbraw/zinc/41/68/64/1137416864.db2.gz MRZGJGYEZKJZSM-SFHVURJKSA-N 1 2 344.434 3.680 20 0 EHADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000044867017 1137422922 /nfs/dbraw/zinc/42/29/22/1137422922.db2.gz QYRDQSZPCLJCPB-IUCAKERBSA-N 1 2 330.190 3.767 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(SC(F)(F)F)o2)c[nH+]1 ZINC000868790752 1137423970 /nfs/dbraw/zinc/42/39/70/1137423970.db2.gz BDFPPLSDYGXKLD-UHFFFAOYSA-N 1 2 330.331 3.833 20 0 EHADLO O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001148821113 1137435746 /nfs/dbraw/zinc/43/57/46/1137435746.db2.gz UKPVHSREXILFJE-UHFFFAOYSA-N 1 2 345.324 3.533 20 0 EHADLO Cn1cc(C[NH2+]Cc2c(Cl)cccc2Cl)c(Br)n1 ZINC000712443662 1137467910 /nfs/dbraw/zinc/46/79/10/1137467910.db2.gz JSVLGJFLKPYLMW-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000773299937 1137487637 /nfs/dbraw/zinc/48/76/37/1137487637.db2.gz MSKOJDIRYYESPT-UHFFFAOYSA-N 1 2 348.418 3.505 20 0 EHADLO Brc1ccc2[nH+]ccn2c1NCc1cccc2ncoc21 ZINC001171457570 1137490421 /nfs/dbraw/zinc/49/04/21/1137490421.db2.gz HDZJUQBLRQSXEN-UHFFFAOYSA-N 1 2 343.184 3.850 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1CCc3c(C)cccc3C1)[C@H]2C ZINC001171566967 1137498464 /nfs/dbraw/zinc/49/84/64/1137498464.db2.gz LQDNQNAKLGUWGV-FUHWJXTLSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1CCc3c(C)cccc3C1)[C@H]2C ZINC001171566967 1137498465 /nfs/dbraw/zinc/49/84/65/1137498465.db2.gz LQDNQNAKLGUWGV-FUHWJXTLSA-N 1 2 339.483 3.662 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]C[C@H](OC)C1CCCC1)C1CCCCCC1 ZINC001171613834 1137500625 /nfs/dbraw/zinc/50/06/25/1137500625.db2.gz OOHDIHRWMLTFEA-ROUUACIJSA-N 1 2 325.493 3.683 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000173638970 1137504450 /nfs/dbraw/zinc/50/44/50/1137504450.db2.gz BEPWMSPBXQGEEK-SNVBAGLBSA-N 1 2 325.243 3.772 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1CCC2(CC2)CC1 ZINC000871018774 1137518326 /nfs/dbraw/zinc/51/83/26/1137518326.db2.gz XJIGMRRWWOYBAV-UHFFFAOYSA-N 1 2 337.467 3.561 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC(F)(F)C1)C2 ZINC001172091951 1137532269 /nfs/dbraw/zinc/53/22/69/1137532269.db2.gz NCYGOKFMTSNQMQ-BTTYYORXSA-N 1 2 330.419 3.648 20 0 EHADLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC(F)(F)C1)C2 ZINC001172091951 1137532270 /nfs/dbraw/zinc/53/22/70/1137532270.db2.gz NCYGOKFMTSNQMQ-BTTYYORXSA-N 1 2 330.419 3.648 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c(C)c1 ZINC000018947006 1137540572 /nfs/dbraw/zinc/54/05/72/1137540572.db2.gz MGWFUJJRCKUVEI-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000123840570 1137561187 /nfs/dbraw/zinc/56/11/87/1137561187.db2.gz PMOFGZBYZDNCAO-HOTGVXAUSA-N 1 2 346.475 3.540 20 0 EHADLO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1F ZINC000872025238 1137565752 /nfs/dbraw/zinc/56/57/52/1137565752.db2.gz IUSNFIMXZCBAJT-WMLDXEAASA-N 1 2 342.414 3.546 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)cc2)CCO1 ZINC000872060651 1137568860 /nfs/dbraw/zinc/56/88/60/1137568860.db2.gz RWUPTFDLHWEMAR-HHXXYDBFSA-N 1 2 332.488 3.917 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc2S1 ZINC000872082711 1137570315 /nfs/dbraw/zinc/57/03/15/1137570315.db2.gz AAJNKWBQUYEKET-UONOGXRCSA-N 1 2 344.484 3.762 20 0 EHADLO C[C@H]1CCN(c2nc(Cl)nc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000872481340 1137580706 /nfs/dbraw/zinc/58/07/06/1137580706.db2.gz GKBGQMAEVNELCQ-JQWIXIFHSA-N 1 2 333.848 3.629 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2C[C@@H](C3CCCCC3)CC2=O)on1 ZINC000872560320 1137581509 /nfs/dbraw/zinc/58/15/09/1137581509.db2.gz KACSWMBBRYWHNS-IRXDYDNUSA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CN2C[C@@H](C3CCCCC3)CC2=O)on1 ZINC000872560320 1137581510 /nfs/dbraw/zinc/58/15/10/1137581510.db2.gz KACSWMBBRYWHNS-IRXDYDNUSA-N 1 2 331.460 3.506 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000872746415 1137583542 /nfs/dbraw/zinc/58/35/42/1137583542.db2.gz GLNHCVVHKPEXPI-CYBMUJFWSA-N 1 2 341.480 3.605 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000872746415 1137583543 /nfs/dbraw/zinc/58/35/43/1137583543.db2.gz GLNHCVVHKPEXPI-CYBMUJFWSA-N 1 2 341.480 3.605 20 0 EHADLO C[C@H](C[N@H+](C)Cn1nc(-c2ccncc2)n(C)c1=S)C(C)(C)C ZINC000872819027 1137584999 /nfs/dbraw/zinc/58/49/99/1137584999.db2.gz XUTPGPRWFQAHNR-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@H](C[N@@H+](C)Cn1nc(-c2ccncc2)n(C)c1=S)C(C)(C)C ZINC000872819027 1137585000 /nfs/dbraw/zinc/58/50/00/1137585000.db2.gz XUTPGPRWFQAHNR-CYBMUJFWSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000872816860 1137585012 /nfs/dbraw/zinc/58/50/12/1137585012.db2.gz PRBCRVATFPCTOF-CJNGLKHVSA-N 1 2 339.361 3.549 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)CC[C@@H](C(F)(F)F)O1 ZINC000872816860 1137585013 /nfs/dbraw/zinc/58/50/13/1137585013.db2.gz PRBCRVATFPCTOF-CJNGLKHVSA-N 1 2 339.361 3.549 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC[C@H]1C=CCC1 ZINC000873137569 1137590989 /nfs/dbraw/zinc/59/09/89/1137590989.db2.gz ZAFNIFVUVIACMG-KRWDZBQOSA-N 1 2 332.492 3.614 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000874333222 1137613174 /nfs/dbraw/zinc/61/31/74/1137613174.db2.gz UBFGKUNVZXBKSB-IOASZLSFSA-N 1 2 349.356 3.896 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000874333222 1137613175 /nfs/dbraw/zinc/61/31/75/1137613175.db2.gz UBFGKUNVZXBKSB-IOASZLSFSA-N 1 2 349.356 3.896 20 0 EHADLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc1Br ZINC001137616668 1137629379 /nfs/dbraw/zinc/62/93/79/1137629379.db2.gz WHYBIEBTPQCPCB-GFCCVEGCSA-N 1 2 330.266 3.787 20 0 EHADLO Cc1ccc(NC(=O)c2ccsc2C(F)(F)F)c(N(C)C)[nH+]1 ZINC000875486125 1137634085 /nfs/dbraw/zinc/63/40/85/1137634085.db2.gz VXFVBYCBSWGRNY-UHFFFAOYSA-N 1 2 329.347 3.789 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000876081456 1137643681 /nfs/dbraw/zinc/64/36/81/1137643681.db2.gz DBAINLCSOGMJJV-LBPRGKRZSA-N 1 2 346.397 3.667 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nn1)Cc1ccccc1OC(F)(F)F ZINC000876560311 1137655573 /nfs/dbraw/zinc/65/55/73/1137655573.db2.gz KEHAQYOHEFGXGC-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nn1)Cc1ccccc1OC(F)(F)F ZINC000876560311 1137655574 /nfs/dbraw/zinc/65/55/74/1137655574.db2.gz KEHAQYOHEFGXGC-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO Cc1ccnc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)c1 ZINC000876618797 1137657209 /nfs/dbraw/zinc/65/72/09/1137657209.db2.gz FWBQCITXSXCXEY-UHFFFAOYSA-N 1 2 342.830 3.507 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(Cl)nn3)CC2)c1 ZINC000876633982 1137657719 /nfs/dbraw/zinc/65/77/19/1137657719.db2.gz IXHPJUCEIKEKLF-UHFFFAOYSA-N 1 2 331.847 3.790 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC000876776494 1137660974 /nfs/dbraw/zinc/66/09/74/1137660974.db2.gz OJOGILBIKNHILR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC000876776494 1137660975 /nfs/dbraw/zinc/66/09/75/1137660975.db2.gz OJOGILBIKNHILR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000876776494 1137660976 /nfs/dbraw/zinc/66/09/76/1137660976.db2.gz OJOGILBIKNHILR-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(Cl)cs1)O[C@H](C)C2 ZINC000876898947 1137664814 /nfs/dbraw/zinc/66/48/14/1137664814.db2.gz QRWLMZWIVXHOBP-SNVBAGLBSA-N 1 2 338.860 3.808 20 0 EHADLO Cc1ncc(C[NH2+]Cc2nc(Cl)ccc2Br)s1 ZINC000877019734 1137667825 /nfs/dbraw/zinc/66/78/25/1137667825.db2.gz QEZVXWBRBIATMP-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO Cc1cccc(F)c1C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000877067744 1137669299 /nfs/dbraw/zinc/66/92/99/1137669299.db2.gz HUECVTOPTVFPGB-UHFFFAOYSA-N 1 2 336.414 3.882 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877473798 1137677469 /nfs/dbraw/zinc/67/74/69/1137677469.db2.gz NGMFBWFKRGJJET-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO C[C@H]1CCSCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877473798 1137677470 /nfs/dbraw/zinc/67/74/70/1137677470.db2.gz NGMFBWFKRGJJET-VIFPVBQESA-N 1 2 335.698 3.825 20 0 EHADLO CC(C)n1cc(C2=CCC[N@H+](Cc3nc(Cl)cs3)CC2)nn1 ZINC000877564953 1137681405 /nfs/dbraw/zinc/68/14/05/1137681405.db2.gz QNTBWAPJOULGDJ-UHFFFAOYSA-N 1 2 337.880 3.648 20 0 EHADLO CC(C)n1cc(C2=CCC[N@@H+](Cc3nc(Cl)cs3)CC2)nn1 ZINC000877564953 1137681406 /nfs/dbraw/zinc/68/14/06/1137681406.db2.gz QNTBWAPJOULGDJ-UHFFFAOYSA-N 1 2 337.880 3.648 20 0 EHADLO CCc1nc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cs1 ZINC000877735643 1137687270 /nfs/dbraw/zinc/68/72/70/1137687270.db2.gz ANUNJMDWCHRITR-UHFFFAOYSA-N 1 2 332.473 3.736 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737379 1137687465 /nfs/dbraw/zinc/68/74/65/1137687465.db2.gz HZQXMJJTTSQXAU-VHSXEESVSA-N 1 2 347.709 3.682 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737379 1137687466 /nfs/dbraw/zinc/68/74/66/1137687466.db2.gz HZQXMJJTTSQXAU-VHSXEESVSA-N 1 2 347.709 3.682 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)cc1 ZINC000877757310 1137688302 /nfs/dbraw/zinc/68/83/02/1137688302.db2.gz INTCPLTZBWLVNB-MRXNPFEDSA-N 1 2 330.453 3.603 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)cc1 ZINC000877757310 1137688303 /nfs/dbraw/zinc/68/83/03/1137688303.db2.gz INTCPLTZBWLVNB-MRXNPFEDSA-N 1 2 330.453 3.603 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)n1 ZINC000877764004 1137688748 /nfs/dbraw/zinc/68/87/48/1137688748.db2.gz QNBUCUWANUIHDC-HNNXBMFYSA-N 1 2 342.512 3.820 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)n1 ZINC000877764004 1137688749 /nfs/dbraw/zinc/68/87/49/1137688749.db2.gz QNBUCUWANUIHDC-HNNXBMFYSA-N 1 2 342.512 3.820 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3ccc4c(n3)CCC4)no2)c(F)c1 ZINC000877811722 1137690808 /nfs/dbraw/zinc/69/08/08/1137690808.db2.gz UZGVRHAOODSNHJ-UHFFFAOYSA-N 1 2 341.361 3.793 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1OC(F)F)CC2 ZINC000877816544 1137691352 /nfs/dbraw/zinc/69/13/52/1137691352.db2.gz IKCLINACIKQFCU-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000877816544 1137691353 /nfs/dbraw/zinc/69/13/53/1137691353.db2.gz IKCLINACIKQFCU-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO Cc1cc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)nn1 ZINC000877883726 1137694262 /nfs/dbraw/zinc/69/42/62/1137694262.db2.gz LYLHLPGWEJKCIE-UHFFFAOYSA-N 1 2 334.423 3.872 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000877914964 1137695402 /nfs/dbraw/zinc/69/54/02/1137695402.db2.gz LEUDFGLPZLBHNR-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000877914964 1137695403 /nfs/dbraw/zinc/69/54/03/1137695403.db2.gz LEUDFGLPZLBHNR-QGZVFWFLSA-N 1 2 339.370 3.918 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000877915899 1137695510 /nfs/dbraw/zinc/69/55/10/1137695510.db2.gz PSOCXNJQOJNVJX-GFCCVEGCSA-N 1 2 333.444 3.561 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000877915899 1137695511 /nfs/dbraw/zinc/69/55/11/1137695511.db2.gz PSOCXNJQOJNVJX-GFCCVEGCSA-N 1 2 333.444 3.561 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3nccn3CC(F)F)ccc2c1 ZINC000877920946 1137695715 /nfs/dbraw/zinc/69/57/15/1137695715.db2.gz CNIGFKAAUOKJPU-UHFFFAOYSA-N 1 2 345.393 3.942 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3nccn3CC(F)F)ccc2c1 ZINC000877920946 1137695716 /nfs/dbraw/zinc/69/57/16/1137695716.db2.gz CNIGFKAAUOKJPU-UHFFFAOYSA-N 1 2 345.393 3.942 20 0 EHADLO c1ccc(C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]2CCCO2)cc1 ZINC000877990759 1137698709 /nfs/dbraw/zinc/69/87/09/1137698709.db2.gz VOMBLLIMQXBPSD-QGZVFWFLSA-N 1 2 326.440 3.735 20 0 EHADLO c1ccc(C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]2CCCO2)cc1 ZINC000877990759 1137698710 /nfs/dbraw/zinc/69/87/10/1137698710.db2.gz VOMBLLIMQXBPSD-QGZVFWFLSA-N 1 2 326.440 3.735 20 0 EHADLO Fc1ccc(C2CC[NH+](Cc3nccn3CC(F)F)CC2)cc1F ZINC000878056761 1137701075 /nfs/dbraw/zinc/70/10/75/1137701075.db2.gz WKKXUKBHZIUMSJ-UHFFFAOYSA-N 1 2 341.352 3.806 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ncccc1C ZINC000878079821 1137701366 /nfs/dbraw/zinc/70/13/66/1137701366.db2.gz MZXKQFQIZHJXFQ-KRWDZBQOSA-N 1 2 339.439 3.564 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ncccc1C ZINC000878079821 1137701367 /nfs/dbraw/zinc/70/13/67/1137701367.db2.gz MZXKQFQIZHJXFQ-KRWDZBQOSA-N 1 2 339.439 3.564 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000878137593 1137703927 /nfs/dbraw/zinc/70/39/27/1137703927.db2.gz YVOZMDIONBAIQR-AVGNSLFASA-N 1 2 326.893 3.801 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1C ZINC000826030386 1137707411 /nfs/dbraw/zinc/70/74/11/1137707411.db2.gz AXIZKQMTVBWQIK-GOSISDBHSA-N 1 2 343.471 3.593 20 0 EHADLO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(Cl)n1 ZINC000878276482 1137709415 /nfs/dbraw/zinc/70/94/15/1137709415.db2.gz BNLWSGOPTWMWEH-FKEKPDDDSA-N 1 2 334.872 3.811 20 0 EHADLO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(Cl)n1 ZINC000878276482 1137709416 /nfs/dbraw/zinc/70/94/16/1137709416.db2.gz BNLWSGOPTWMWEH-FKEKPDDDSA-N 1 2 334.872 3.811 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338211 1137711386 /nfs/dbraw/zinc/71/13/86/1137711386.db2.gz YNEIUHHMPUANEE-KBPBESRZSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338211 1137711387 /nfs/dbraw/zinc/71/13/87/1137711387.db2.gz YNEIUHHMPUANEE-KBPBESRZSA-N 1 2 326.227 3.587 20 0 EHADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2scnc2Cl)CC1 ZINC000878444697 1137716356 /nfs/dbraw/zinc/71/63/56/1137716356.db2.gz NHHVZOGDRTUCRE-UHFFFAOYSA-N 1 2 340.851 3.505 20 0 EHADLO CC[C@]1([NH2+]Cc2noc(-c3cccc(Cl)c3Cl)n2)CCOC1 ZINC000878502541 1137718064 /nfs/dbraw/zinc/71/80/64/1137718064.db2.gz DAIBFGYZXCPMQS-HNNXBMFYSA-N 1 2 342.226 3.702 20 0 EHADLO CC1(C)C[N@H+](Cc2nc3c(o2)CCCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000878554093 1137720010 /nfs/dbraw/zinc/72/00/10/1137720010.db2.gz UXGNCZKQBRGFNI-SIFCLUCFSA-N 1 2 330.472 3.723 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000878554093 1137720011 /nfs/dbraw/zinc/72/00/11/1137720011.db2.gz UXGNCZKQBRGFNI-SIFCLUCFSA-N 1 2 330.472 3.723 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2scnc2Cl)CC1 ZINC000878611350 1137721959 /nfs/dbraw/zinc/72/19/59/1137721959.db2.gz NVPIARVGPKADJQ-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2scnc2Cl)CC1 ZINC000878611350 1137721960 /nfs/dbraw/zinc/72/19/60/1137721960.db2.gz NVPIARVGPKADJQ-UHFFFAOYSA-N 1 2 325.840 3.648 20 0 EHADLO CC1(C)CCc2onc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2C1 ZINC000878631502 1137723057 /nfs/dbraw/zinc/72/30/57/1137723057.db2.gz HCAMSUVLUFMWBV-QZTJIDSGSA-N 1 2 330.472 3.723 20 0 EHADLO CC1(C)CCc2onc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2C1 ZINC000878631502 1137723058 /nfs/dbraw/zinc/72/30/58/1137723058.db2.gz HCAMSUVLUFMWBV-QZTJIDSGSA-N 1 2 330.472 3.723 20 0 EHADLO COCC(C)(C)[N@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878644249 1137723418 /nfs/dbraw/zinc/72/34/18/1137723418.db2.gz XBVIQMUBEXVSQO-UHFFFAOYSA-N 1 2 344.242 3.900 20 0 EHADLO COCC(C)(C)[N@@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878644249 1137723419 /nfs/dbraw/zinc/72/34/19/1137723419.db2.gz XBVIQMUBEXVSQO-UHFFFAOYSA-N 1 2 344.242 3.900 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672327 1137724638 /nfs/dbraw/zinc/72/46/38/1137724638.db2.gz IGZVOTUMEZPESQ-QWRGUYRKSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878672327 1137724639 /nfs/dbraw/zinc/72/46/39/1137724639.db2.gz IGZVOTUMEZPESQ-QWRGUYRKSA-N 1 2 344.406 3.706 20 0 EHADLO Clc1nc(C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cs1 ZINC000878905315 1137731722 /nfs/dbraw/zinc/73/17/22/1137731722.db2.gz SIVUWBGMNAUSTO-GFCCVEGCSA-N 1 2 330.844 3.729 20 0 EHADLO Clc1nc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cs1 ZINC000878905315 1137731723 /nfs/dbraw/zinc/73/17/23/1137731723.db2.gz SIVUWBGMNAUSTO-GFCCVEGCSA-N 1 2 330.844 3.729 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)c1 ZINC000879030753 1137735808 /nfs/dbraw/zinc/73/58/08/1137735808.db2.gz OECOIGMOLWZNJC-UHFFFAOYSA-N 1 2 330.403 3.736 20 0 EHADLO CCC(C)(C)NC(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157090 1137739721 /nfs/dbraw/zinc/73/97/21/1137739721.db2.gz CHGIKWUOUIANNF-UHFFFAOYSA-N 1 2 337.851 3.611 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000879174409 1137740182 /nfs/dbraw/zinc/74/01/82/1137740182.db2.gz QLNJDTYGQADGIX-OAHLLOKOSA-N 1 2 325.399 3.574 20 0 EHADLO C[C@H](SCc1cc[nH+]c(N(C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000127680241 1137744766 /nfs/dbraw/zinc/74/47/66/1137744766.db2.gz CCSJAERDHCRLHS-AWEZNQCLSA-N 1 2 339.468 3.723 20 0 EHADLO O=C(Nc1cccc(C2CC2)n1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879661795 1137754238 /nfs/dbraw/zinc/75/42/38/1137754238.db2.gz IWUWXAWJMMQRMH-GOSISDBHSA-N 1 2 347.422 3.719 20 0 EHADLO CCc1ccc(-c2nc(C[NH2+][C@H](C)c3ccnn3C)cs2)cc1 ZINC000879684056 1137755151 /nfs/dbraw/zinc/75/51/51/1137755151.db2.gz SAVCUDGAOLXLBY-CYBMUJFWSA-N 1 2 326.469 3.957 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000879738083 1137757284 /nfs/dbraw/zinc/75/72/84/1137757284.db2.gz NCYFYFLKQVKAAN-RBUKOAKNSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000879738083 1137757285 /nfs/dbraw/zinc/75/72/85/1137757285.db2.gz NCYFYFLKQVKAAN-RBUKOAKNSA-N 1 2 331.456 3.560 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cncc(C)c2)c(F)c1 ZINC000879747515 1137757541 /nfs/dbraw/zinc/75/75/41/1137757541.db2.gz NBXACWUPVYSHQL-GOSISDBHSA-N 1 2 327.403 3.613 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cncc(C)c2)c(F)c1 ZINC000879747515 1137757542 /nfs/dbraw/zinc/75/75/42/1137757542.db2.gz NBXACWUPVYSHQL-GOSISDBHSA-N 1 2 327.403 3.613 20 0 EHADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000879964580 1137763498 /nfs/dbraw/zinc/76/34/98/1137763498.db2.gz JSMKVUKZHSEKQG-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000879964580 1137763499 /nfs/dbraw/zinc/76/34/99/1137763499.db2.gz JSMKVUKZHSEKQG-LLVKDONJSA-N 1 2 348.231 3.710 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1nc(C)c(C)s1)CC2 ZINC000880089547 1137767798 /nfs/dbraw/zinc/76/77/98/1137767798.db2.gz GKEHPZAVQYQIDM-LBPRGKRZSA-N 1 2 332.469 3.896 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1nc(C)c(C)s1)CC2 ZINC000880089547 1137767799 /nfs/dbraw/zinc/76/77/99/1137767799.db2.gz GKEHPZAVQYQIDM-LBPRGKRZSA-N 1 2 332.469 3.896 20 0 EHADLO FC[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000880236751 1137771795 /nfs/dbraw/zinc/77/17/95/1137771795.db2.gz HLHFMLGPYPZJRV-JTQLQIEISA-N 1 2 326.213 3.507 20 0 EHADLO FC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000880236751 1137771796 /nfs/dbraw/zinc/77/17/96/1137771796.db2.gz HLHFMLGPYPZJRV-JTQLQIEISA-N 1 2 326.213 3.507 20 0 EHADLO FC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000880244145 1137772030 /nfs/dbraw/zinc/77/20/30/1137772030.db2.gz FHUXHMPPNDGZKS-UHFFFAOYSA-N 1 2 329.297 3.689 20 0 EHADLO Cc1cc(C[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)c2ccccc2n1 ZINC000880270106 1137772507 /nfs/dbraw/zinc/77/25/07/1137772507.db2.gz UAYZMMMJXWJMCH-UHFFFAOYSA-N 1 2 346.356 3.774 20 0 EHADLO Cc1cc(C[N@H+]2CCn3cnc(C(F)(F)F)c3C2)c2ccccc2n1 ZINC000880270106 1137772508 /nfs/dbraw/zinc/77/25/08/1137772508.db2.gz UAYZMMMJXWJMCH-UHFFFAOYSA-N 1 2 346.356 3.774 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1ccc(Cl)c2ccccc12)C1CCOCC1 ZINC000880340788 1137775719 /nfs/dbraw/zinc/77/57/19/1137775719.db2.gz LEZWGDRJOMTHMH-GOSISDBHSA-N 1 2 347.842 3.551 20 0 EHADLO C[C@@H]1c2sccc2CC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000880376514 1137777114 /nfs/dbraw/zinc/77/71/14/1137777114.db2.gz IFFSUQAXSCBQGS-CQSZACIVSA-N 1 2 335.494 3.531 20 0 EHADLO C[C@@H]1c2sccc2CC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000880376514 1137777115 /nfs/dbraw/zinc/77/71/15/1137777115.db2.gz IFFSUQAXSCBQGS-CQSZACIVSA-N 1 2 335.494 3.531 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000626133942 1137785390 /nfs/dbraw/zinc/78/53/90/1137785390.db2.gz XLSPKNXSERGZBL-RHSMWYFYSA-N 1 2 342.487 3.627 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000626133942 1137785391 /nfs/dbraw/zinc/78/53/91/1137785391.db2.gz XLSPKNXSERGZBL-RHSMWYFYSA-N 1 2 342.487 3.627 20 0 EHADLO CCc1nnc(C[N@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)s1 ZINC000626133367 1137789043 /nfs/dbraw/zinc/78/90/43/1137789043.db2.gz MLRCVWQJSCFSRL-XJKSGUPXSA-N 1 2 331.485 3.625 20 0 EHADLO CCc1nnc(C[N@@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)s1 ZINC000626133367 1137789044 /nfs/dbraw/zinc/78/90/44/1137789044.db2.gz MLRCVWQJSCFSRL-XJKSGUPXSA-N 1 2 331.485 3.625 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000881069101 1137799604 /nfs/dbraw/zinc/79/96/04/1137799604.db2.gz GFXXWDBKYGUFOZ-KRWDZBQOSA-N 1 2 340.427 3.572 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137162869 1137799698 /nfs/dbraw/zinc/79/96/98/1137799698.db2.gz MSOKIULLCWLWRR-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137162869 1137799699 /nfs/dbraw/zinc/79/96/99/1137799699.db2.gz MSOKIULLCWLWRR-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CCCOc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1C(C)C ZINC000881193373 1137803240 /nfs/dbraw/zinc/80/32/40/1137803240.db2.gz YFWXLCSABVSURD-HNNXBMFYSA-N 1 2 342.443 3.542 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000129297386 1137816905 /nfs/dbraw/zinc/81/69/05/1137816905.db2.gz JJDOFHPSUOAJSQ-HSWBROFVSA-N 1 2 332.494 3.728 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904008 1137820013 /nfs/dbraw/zinc/82/00/13/1137820013.db2.gz GUSRXAYAGVIGQP-INDMIFKZSA-N 1 2 337.467 3.756 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904086 1137820164 /nfs/dbraw/zinc/82/01/64/1137820164.db2.gz HPIVMOLQDBCXIR-NXHRZFHOSA-N 1 2 325.456 3.821 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000888904086 1137820165 /nfs/dbraw/zinc/82/01/65/1137820165.db2.gz HPIVMOLQDBCXIR-NXHRZFHOSA-N 1 2 325.456 3.821 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882744733 1137833177 /nfs/dbraw/zinc/83/31/77/1137833177.db2.gz OCMSBNREVHWHBX-VBNZEHGJSA-N 1 2 349.356 3.838 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCCC[C@H](C2CCOCC2)C1)n1cc[nH+]c1 ZINC000882917205 1137838445 /nfs/dbraw/zinc/83/84/45/1137838445.db2.gz GWHYWUHHSBTXQK-OALUTQOASA-N 1 2 347.503 3.526 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000130800754 1137842154 /nfs/dbraw/zinc/84/21/54/1137842154.db2.gz ULODGNVTGKMXQQ-FQEVSTJZSA-N 1 2 347.462 3.841 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000130800754 1137842155 /nfs/dbraw/zinc/84/21/55/1137842155.db2.gz ULODGNVTGKMXQQ-FQEVSTJZSA-N 1 2 347.462 3.841 20 0 EHADLO CCCOC1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001137196210 1137868608 /nfs/dbraw/zinc/86/86/08/1137868608.db2.gz VWRCFJKUKHHSGK-UHFFFAOYSA-N 1 2 329.444 3.502 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000883827797 1137872996 /nfs/dbraw/zinc/87/29/96/1137872996.db2.gz GMDWUWIMNKDZLQ-MRXNPFEDSA-N 1 2 344.484 3.542 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000883829432 1137873206 /nfs/dbraw/zinc/87/32/06/1137873206.db2.gz NUQUPTNKZSMZNX-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000883829432 1137873207 /nfs/dbraw/zinc/87/32/07/1137873207.db2.gz NUQUPTNKZSMZNX-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO Cc1ccc2c(cccc2N(c2ncccc2N)[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC001212796945 1137875685 /nfs/dbraw/zinc/87/56/85/1137875685.db2.gz NTJZEWVONDMUOR-WKILWMFISA-N 1 2 348.450 3.962 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(F)cc1F ZINC000107181152 1137885796 /nfs/dbraw/zinc/88/57/96/1137885796.db2.gz UMJLVSSKWOVGGZ-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)sc21 ZINC000348259168 1137886168 /nfs/dbraw/zinc/88/61/68/1137886168.db2.gz BMWOKWYCHDQKLU-UHFFFAOYSA-N 1 2 325.437 3.953 20 0 EHADLO Cc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc(C)c1Cl ZINC000331400135 1137893102 /nfs/dbraw/zinc/89/31/02/1137893102.db2.gz LMVKGYDPGHJKGK-UHFFFAOYSA-N 1 2 346.862 3.854 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000111306936 1137904116 /nfs/dbraw/zinc/90/41/16/1137904116.db2.gz RKRPGDRKLBXGQQ-HNNXBMFYSA-N 1 2 347.846 3.607 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000111306936 1137904117 /nfs/dbraw/zinc/90/41/17/1137904117.db2.gz RKRPGDRKLBXGQQ-HNNXBMFYSA-N 1 2 347.846 3.607 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000111733003 1137905279 /nfs/dbraw/zinc/90/52/79/1137905279.db2.gz VPRLFGCYOPVSRU-UHFFFAOYSA-N 1 2 342.443 3.849 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000111743141 1137905450 /nfs/dbraw/zinc/90/54/50/1137905450.db2.gz QHKCRFDZUCNURB-UHFFFAOYSA-N 1 2 346.406 3.678 20 0 EHADLO CSc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000112246433 1137906838 /nfs/dbraw/zinc/90/68/38/1137906838.db2.gz SINQZVNYJJFRIZ-UHFFFAOYSA-N 1 2 345.468 3.707 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2c2cnn(C)c2)c(C)c1 ZINC000331735321 1137918822 /nfs/dbraw/zinc/91/88/22/1137918822.db2.gz SPTWDTSUEYEFQM-SFHVURJKSA-N 1 2 340.471 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2c2cnn(C)c2)c(C)c1 ZINC000331735321 1137918823 /nfs/dbraw/zinc/91/88/23/1137918823.db2.gz SPTWDTSUEYEFQM-SFHVURJKSA-N 1 2 340.471 3.511 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000114779996 1137918847 /nfs/dbraw/zinc/91/88/47/1137918847.db2.gz QRLINIPFSIZUQF-AWEZNQCLSA-N 1 2 344.846 3.646 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)o1 ZINC000116893609 1137928009 /nfs/dbraw/zinc/92/80/09/1137928009.db2.gz ZTIQKJOUMFSHSZ-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2Cl)o1 ZINC000116893609 1137928010 /nfs/dbraw/zinc/92/80/10/1137928010.db2.gz ZTIQKJOUMFSHSZ-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1C ZINC001202703629 1137932140 /nfs/dbraw/zinc/93/21/40/1137932140.db2.gz ZVPXBTPNZGDBLM-MRXNPFEDSA-N 1 2 337.414 3.641 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000014729254 1137933666 /nfs/dbraw/zinc/93/36/66/1137933666.db2.gz BSFVKMMTOLCRBL-UHFFFAOYSA-N 1 2 347.418 3.832 20 0 EHADLO CCC(CC)n1ncc(C(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000118962243 1137936903 /nfs/dbraw/zinc/93/69/03/1137936903.db2.gz VIONJBXAQWGYNG-UHFFFAOYSA-N 1 2 343.475 3.570 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c(C)n1C1CC1 ZINC000119056342 1137937645 /nfs/dbraw/zinc/93/76/45/1137937645.db2.gz BXOPWNRGOMSUJP-UHFFFAOYSA-N 1 2 332.488 3.902 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccn1 ZINC000119841332 1137944789 /nfs/dbraw/zinc/94/47/89/1137944789.db2.gz ZFFRBMBJYHUJNW-RBUKOAKNSA-N 1 2 347.422 3.637 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)cc1OCC ZINC000016375333 1137945054 /nfs/dbraw/zinc/94/50/54/1137945054.db2.gz JBAREXVBCJDLDK-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)cc1OCC ZINC000016375333 1137945055 /nfs/dbraw/zinc/94/50/55/1137945055.db2.gz JBAREXVBCJDLDK-UHFFFAOYSA-N 1 2 348.468 3.616 20 0 EHADLO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(F)cc3F)nc(=O)c2c1C ZINC000120543599 1137950693 /nfs/dbraw/zinc/95/06/93/1137950693.db2.gz CFUVOVDSCSJANV-SECBINFHSA-N 1 2 349.406 3.730 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333202575 1137958103 /nfs/dbraw/zinc/95/81/03/1137958103.db2.gz ZTQAJFFRGKACFU-CRAIPNDOSA-N 1 2 344.503 3.687 20 0 EHADLO FC(F)[C@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000828100844 1137984391 /nfs/dbraw/zinc/98/43/91/1137984391.db2.gz BMCVFGPAZOPBLM-GFCCVEGCSA-N 1 2 332.272 3.724 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)[C@H](CO)c3ccccc3C)n2)cc1 ZINC000886431636 1138076226 /nfs/dbraw/zinc/07/62/26/1138076226.db2.gz CGVCOJPSPIMYJG-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)[C@H](CO)c3ccccc3C)n2)cc1 ZINC000886431636 1138076229 /nfs/dbraw/zinc/07/62/29/1138076229.db2.gz CGVCOJPSPIMYJG-GOSISDBHSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000075969247 1138129378 /nfs/dbraw/zinc/12/93/78/1138129378.db2.gz CFCQYOJSIOSDML-NSHDSACASA-N 1 2 332.341 3.735 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)cc1 ZINC000076342460 1138130897 /nfs/dbraw/zinc/13/08/97/1138130897.db2.gz IKGTUCSAGYUIEV-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)cc1 ZINC000076342460 1138130899 /nfs/dbraw/zinc/13/08/99/1138130899.db2.gz IKGTUCSAGYUIEV-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000886792224 1138141456 /nfs/dbraw/zinc/14/14/56/1138141456.db2.gz RFSJITDBZJAQJP-CYBMUJFWSA-N 1 2 348.415 3.618 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000886792224 1138141458 /nfs/dbraw/zinc/14/14/58/1138141458.db2.gz RFSJITDBZJAQJP-CYBMUJFWSA-N 1 2 348.415 3.618 20 0 EHADLO Cc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079103158 1138154924 /nfs/dbraw/zinc/15/49/24/1138154924.db2.gz WSFOQBLMWBEADK-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO c1ccc(C[N@H+]2CCC[C@@H]2c2nc(COc3ccccc3)no2)cc1 ZINC000089643841 1138203051 /nfs/dbraw/zinc/20/30/51/1138203051.db2.gz UJWSKPBJLBUERZ-GOSISDBHSA-N 1 2 335.407 3.986 20 0 EHADLO c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(COc3ccccc3)no2)cc1 ZINC000089643841 1138203053 /nfs/dbraw/zinc/20/30/53/1138203053.db2.gz UJWSKPBJLBUERZ-GOSISDBHSA-N 1 2 335.407 3.986 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091308189 1138218640 /nfs/dbraw/zinc/21/86/40/1138218640.db2.gz DENHIYMRTXJXBE-OAHLLOKOSA-N 1 2 338.455 3.998 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000091413856 1138219366 /nfs/dbraw/zinc/21/93/66/1138219366.db2.gz NIKDOHQHBFVXQM-SJKOYZFVSA-N 1 2 345.393 3.890 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000093005036 1138233352 /nfs/dbraw/zinc/23/33/52/1138233352.db2.gz FRFMXWMCSNRROE-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000093005036 1138233353 /nfs/dbraw/zinc/23/33/53/1138233353.db2.gz FRFMXWMCSNRROE-KRWDZBQOSA-N 1 2 337.427 3.506 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(C)ccc1OC ZINC000093369683 1138236966 /nfs/dbraw/zinc/23/69/66/1138236966.db2.gz LHYYVJMTYBRCAV-INIZCTEOSA-N 1 2 328.460 3.562 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123424663 1138269966 /nfs/dbraw/zinc/26/99/66/1138269966.db2.gz YQQXILBAFBNKOI-UZLBHIALSA-N 1 2 346.434 3.668 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124128707 1138280064 /nfs/dbraw/zinc/28/00/64/1138280064.db2.gz BOGZCSQJDWDHQL-CRAIPNDOSA-N 1 2 341.455 3.784 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)coc21 ZINC000333550500 1138303241 /nfs/dbraw/zinc/30/32/41/1138303241.db2.gz JISSCAYDTDQKRP-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1cccc2c(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)coc21 ZINC000333550500 1138303245 /nfs/dbraw/zinc/30/32/45/1138303245.db2.gz JISSCAYDTDQKRP-CZUORRHYSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000125818682 1138316989 /nfs/dbraw/zinc/31/69/89/1138316989.db2.gz ORYLRWLITJMIQB-VQIMIIECSA-N 1 2 325.456 3.542 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333808253 1138333481 /nfs/dbraw/zinc/33/34/81/1138333481.db2.gz FXMSNELCAPDPJQ-SJLPKXTDSA-N 1 2 344.503 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000127209210 1138350039 /nfs/dbraw/zinc/35/00/39/1138350039.db2.gz DXCWYQNJRRTHOZ-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127300544 1138352904 /nfs/dbraw/zinc/35/29/04/1138352904.db2.gz RIBWCGVIHVFQCS-HZPDHXFCSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127300544 1138352906 /nfs/dbraw/zinc/35/29/06/1138352906.db2.gz RIBWCGVIHVFQCS-HZPDHXFCSA-N 1 2 336.407 3.510 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127605244 1138364534 /nfs/dbraw/zinc/36/45/34/1138364534.db2.gz DHKMUZZWIMLXPY-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127605244 1138364538 /nfs/dbraw/zinc/36/45/38/1138364538.db2.gz DHKMUZZWIMLXPY-DYVFJYSZSA-N 1 2 334.366 3.818 20 0 EHADLO O=C(NCc1cccc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263826393 1138375480 /nfs/dbraw/zinc/37/54/80/1138375480.db2.gz LPZHNVGDVHKTDI-UHFFFAOYSA-N 1 2 334.423 3.652 20 0 EHADLO CCCc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128094278 1138380452 /nfs/dbraw/zinc/38/04/52/1138380452.db2.gz ZJFXUKHSLIVAOV-CRAIPNDOSA-N 1 2 326.444 3.951 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000263869531 1138383411 /nfs/dbraw/zinc/38/34/11/1138383411.db2.gz DTJGZEROVACLSK-UHFFFAOYSA-N 1 2 348.468 3.957 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000264098217 1138417714 /nfs/dbraw/zinc/41/77/14/1138417714.db2.gz FGSHLLQHMFQKOB-UHFFFAOYSA-N 1 2 340.452 3.645 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860491 1138425435 /nfs/dbraw/zinc/42/54/35/1138425435.db2.gz NNKXZFVMRVGEDU-ZBEGNZNMSA-N 1 2 330.453 3.728 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C(N)=O)cs2)C2CC2)o1 ZINC000129860491 1138425438 /nfs/dbraw/zinc/42/54/38/1138425438.db2.gz NNKXZFVMRVGEDU-ZBEGNZNMSA-N 1 2 330.453 3.728 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000264158652 1138431063 /nfs/dbraw/zinc/43/10/63/1138431063.db2.gz INDVLGNNDRFAGP-JKSUJKDBSA-N 1 2 325.456 3.971 20 0 EHADLO CC(C)(C)c1csc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000264184317 1138436846 /nfs/dbraw/zinc/43/68/46/1138436846.db2.gz NDXLVDXUXRQBOQ-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO C[C@H](c1cccc(NC(=O)C=C(C2CC2)C2CC2)c1)[NH+]1CCOCC1 ZINC000264307965 1138470065 /nfs/dbraw/zinc/47/00/65/1138470065.db2.gz YLKLUQMIYIOLLR-OAHLLOKOSA-N 1 2 340.467 3.765 20 0 EHADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000337143989 1138478140 /nfs/dbraw/zinc/47/81/40/1138478140.db2.gz ZFEGGDXUCSRAPP-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000130876888 1138481852 /nfs/dbraw/zinc/48/18/52/1138481852.db2.gz WWDMNQXWMAUCHD-HNNXBMFYSA-N 1 2 339.443 3.633 20 0 EHADLO Cc1nccn1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000130876888 1138481853 /nfs/dbraw/zinc/48/18/53/1138481853.db2.gz WWDMNQXWMAUCHD-HNNXBMFYSA-N 1 2 339.443 3.633 20 0 EHADLO CC1(C)CC[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337163924 1138482961 /nfs/dbraw/zinc/48/29/61/1138482961.db2.gz WKVRLUYEDZGHAD-CVEARBPZSA-N 1 2 329.488 3.752 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000337162504 1138482990 /nfs/dbraw/zinc/48/29/90/1138482990.db2.gz YEUXQKVYABWQMU-MRXNPFEDSA-N 1 2 349.434 3.773 20 0 EHADLO CSc1ccc([C@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000337226178 1138500882 /nfs/dbraw/zinc/50/08/82/1138500882.db2.gz QRWSQWOZXRXYLS-NSHDSACASA-N 1 2 342.468 3.995 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000131340957 1138511441 /nfs/dbraw/zinc/51/14/41/1138511441.db2.gz UHLUCRJVQHCXRD-SUMWQHHRSA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)o1 ZINC000131340957 1138511443 /nfs/dbraw/zinc/51/14/43/1138511443.db2.gz UHLUCRJVQHCXRD-SUMWQHHRSA-N 1 2 346.402 3.729 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C(=O)OC)o1 ZINC000131436448 1138517787 /nfs/dbraw/zinc/51/77/87/1138517787.db2.gz UFALYGLJBYBHEB-QGZVFWFLSA-N 1 2 347.386 3.689 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C(=O)OC)o1 ZINC000131436448 1138517790 /nfs/dbraw/zinc/51/77/90/1138517790.db2.gz UFALYGLJBYBHEB-QGZVFWFLSA-N 1 2 347.386 3.689 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 ZINC000348444458 1138528247 /nfs/dbraw/zinc/52/82/47/1138528247.db2.gz YYPNPPDRANZATR-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337318159 1138530728 /nfs/dbraw/zinc/53/07/28/1138530728.db2.gz GAQVFEOFROEMQY-NRFANRHFSA-N 1 2 349.409 3.892 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(Cl)c1OC ZINC000264502322 1138538990 /nfs/dbraw/zinc/53/89/90/1138538990.db2.gz IOWBTYWDOJUKKD-UHFFFAOYSA-N 1 2 345.830 3.603 20 0 EHADLO CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000337376054 1138549470 /nfs/dbraw/zinc/54/94/70/1138549470.db2.gz AIHIDFNRUIMALO-UHFFFAOYSA-N 1 2 345.406 3.826 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000337397473 1138556634 /nfs/dbraw/zinc/55/66/34/1138556634.db2.gz JWCFMJCGWBHKNQ-XXBNENTESA-N 1 2 331.456 3.803 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000337397473 1138556636 /nfs/dbraw/zinc/55/66/36/1138556636.db2.gz JWCFMJCGWBHKNQ-XXBNENTESA-N 1 2 331.456 3.803 20 0 EHADLO CO[C@@H]1Cc2ccccc2N(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000337421816 1138564491 /nfs/dbraw/zinc/56/44/91/1138564491.db2.gz RDWDDWPIJWISPA-HXUWFJFHSA-N 1 2 333.435 3.509 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000337444870 1138571370 /nfs/dbraw/zinc/57/13/70/1138571370.db2.gz KZFUAZGPXPXUQD-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000337444870 1138571373 /nfs/dbraw/zinc/57/13/73/1138571373.db2.gz KZFUAZGPXPXUQD-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cccnc1 ZINC000132436977 1138580949 /nfs/dbraw/zinc/58/09/49/1138580949.db2.gz GPYUGHHWGGULJK-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cccnc1 ZINC000132436977 1138580951 /nfs/dbraw/zinc/58/09/51/1138580951.db2.gz GPYUGHHWGGULJK-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264718265 1138616387 /nfs/dbraw/zinc/61/63/87/1138616387.db2.gz KTHUTRZLXVFPAK-LLVKDONJSA-N 1 2 349.232 3.584 20 0 EHADLO CC(=O)c1c(C)oc2ncnc(NCc3cccc(-n4cc[nH+]c4)c3)c21 ZINC000337597455 1138616826 /nfs/dbraw/zinc/61/68/26/1138616826.db2.gz GULLCQQPNHSXTI-UHFFFAOYSA-N 1 2 347.378 3.532 20 0 EHADLO Cc1oc2ccccc2c1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337603767 1138618324 /nfs/dbraw/zinc/61/83/24/1138618324.db2.gz UEUAJFMAUHULDZ-KRWDZBQOSA-N 1 2 338.382 3.667 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)CCn2cc[nH+]c2)C2CC2)cc1 ZINC000337650877 1138633874 /nfs/dbraw/zinc/63/38/74/1138633874.db2.gz KAMUTQOVYMWMCX-FQEVSTJZSA-N 1 2 325.456 3.739 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000337760939 1138661802 /nfs/dbraw/zinc/66/18/02/1138661802.db2.gz ZKHPXJMNQJKDCW-OKZBNKHCSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000337760939 1138661804 /nfs/dbraw/zinc/66/18/04/1138661804.db2.gz ZKHPXJMNQJKDCW-OKZBNKHCSA-N 1 2 344.499 3.554 20 0 EHADLO CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000265019301 1138702949 /nfs/dbraw/zinc/70/29/49/1138702949.db2.gz AQKULXGQYJKYGC-UHFFFAOYSA-N 1 2 339.464 3.701 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000338048657 1138733950 /nfs/dbraw/zinc/73/39/50/1138733950.db2.gz ZEJUQSCOSABZSR-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(OCc2ccccc2)c1 ZINC000338059235 1138736684 /nfs/dbraw/zinc/73/66/84/1138736684.db2.gz IWHTYWDLJMKDSU-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO CCN(C(=O)CCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000338072853 1138741282 /nfs/dbraw/zinc/74/12/82/1138741282.db2.gz WHOSHDXWMUFFOD-CYBMUJFWSA-N 1 2 339.361 3.902 20 0 EHADLO Cc1cccnc1[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000265144084 1138744536 /nfs/dbraw/zinc/74/45/36/1138744536.db2.gz APASWUIVOTXXGZ-IBGZPJMESA-N 1 2 348.450 3.762 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265147576 1138745517 /nfs/dbraw/zinc/74/55/17/1138745517.db2.gz DPCRDAGOJOZECN-LAUBAEHRSA-N 1 2 345.446 3.950 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ncnn1C(C)(C)C ZINC000338231745 1138795621 /nfs/dbraw/zinc/79/56/21/1138795621.db2.gz FAYPBLZJILSVTB-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ncnn1C(C)(C)C ZINC000338231745 1138795624 /nfs/dbraw/zinc/79/56/24/1138795624.db2.gz FAYPBLZJILSVTB-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO O=C(c1coc2ccccc12)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338253625 1138802651 /nfs/dbraw/zinc/80/26/51/1138802651.db2.gz DXFHNMPQJLHZGP-KRWDZBQOSA-N 1 2 340.810 3.873 20 0 EHADLO CO[C@H](C[NH2+]C1(c2noc(C)n2)CCCC1)c1ccc(Cl)cc1 ZINC000338287889 1138817751 /nfs/dbraw/zinc/81/77/51/1138817751.db2.gz UYOJOOINJQDLCJ-OAHLLOKOSA-N 1 2 335.835 3.778 20 0 EHADLO CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000338294802 1138820771 /nfs/dbraw/zinc/82/07/71/1138820771.db2.gz ZAAXFWXWKPLZII-FQEVSTJZSA-N 1 2 348.450 3.882 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccnc1 ZINC000137715902 1138871427 /nfs/dbraw/zinc/87/14/27/1138871427.db2.gz KWMCOINUNCHVBO-LBPRGKRZSA-N 1 2 337.345 3.559 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccnc1 ZINC000137715902 1138871435 /nfs/dbraw/zinc/87/14/35/1138871435.db2.gz KWMCOINUNCHVBO-LBPRGKRZSA-N 1 2 337.345 3.559 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001137248519 1139020999 /nfs/dbraw/zinc/02/09/99/1139020999.db2.gz CKVYFEFSAZVDRV-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001137248519 1139021007 /nfs/dbraw/zinc/02/10/07/1139021007.db2.gz CKVYFEFSAZVDRV-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000152429586 1139091315 /nfs/dbraw/zinc/09/13/15/1139091315.db2.gz WLVLVNRGYYNWSI-UHFFFAOYSA-N 1 2 340.427 3.688 20 0 EHADLO CC(C)Sc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152465889 1139093070 /nfs/dbraw/zinc/09/30/70/1139093070.db2.gz NAHWVTOSCSUVLD-INIZCTEOSA-N 1 2 341.480 3.591 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000153590620 1139143644 /nfs/dbraw/zinc/14/36/44/1139143644.db2.gz BBFNYYBZCNOFSM-CABCVRRESA-N 1 2 346.500 3.515 20 0 EHADLO C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889561608 1139235198 /nfs/dbraw/zinc/23/51/98/1139235198.db2.gz QOPCXAXLSAHRLE-JYJNAYRXSA-N 1 2 342.443 3.800 20 0 EHADLO Cc1cc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)ccc1N1CCCC1 ZINC000826657680 1139262022 /nfs/dbraw/zinc/26/20/22/1139262022.db2.gz YMNFXQUWQLTJQL-GOSISDBHSA-N 1 2 345.393 3.512 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000826683223 1139313633 /nfs/dbraw/zinc/31/36/33/1139313633.db2.gz UZNRAVNEZMHIQF-IBGZPJMESA-N 1 2 335.451 3.686 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000826683223 1139313641 /nfs/dbraw/zinc/31/36/41/1139313641.db2.gz UZNRAVNEZMHIQF-IBGZPJMESA-N 1 2 335.451 3.686 20 0 EHADLO CC(C)CC1(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890243946 1139329098 /nfs/dbraw/zinc/32/90/98/1139329098.db2.gz YKVZSEOEHWAWLY-KRWDZBQOSA-N 1 2 326.444 3.502 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC2(C1)CCCCC2 ZINC000890246180 1139330181 /nfs/dbraw/zinc/33/01/81/1139330181.db2.gz HKTLHSPSQWKWGR-SFHVURJKSA-N 1 2 338.455 3.600 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N(C1CC1)C1CCCC1 ZINC000890259725 1139333590 /nfs/dbraw/zinc/33/35/90/1139333590.db2.gz BAASYWYSDBBZJJ-IBGZPJMESA-N 1 2 338.455 3.741 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)cc1F ZINC000826690803 1139348737 /nfs/dbraw/zinc/34/87/37/1139348737.db2.gz UMKVACBVCXOTOL-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)cc1F ZINC000826690803 1139348744 /nfs/dbraw/zinc/34/87/44/1139348744.db2.gz UMKVACBVCXOTOL-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1nc(Cc2ccccc2)no1 ZINC000173925252 1139387583 /nfs/dbraw/zinc/38/75/83/1139387583.db2.gz YOFQUMCLHSGICL-HNNXBMFYSA-N 1 2 333.435 4.000 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000175234480 1139474815 /nfs/dbraw/zinc/47/48/15/1139474815.db2.gz KYTZZEIHOFPZOH-NEPJUHHUSA-N 1 2 335.498 3.851 20 0 EHADLO Cc1cscc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175617715 1139503874 /nfs/dbraw/zinc/50/38/74/1139503874.db2.gz MRRIBQVTMASHJB-HUUCEWRRSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H](C)C[C@H]2CCOC2)c2ccc(Cl)cc2)no1 ZINC000777304251 1139543734 /nfs/dbraw/zinc/54/37/34/1139543734.db2.gz PGFHNCZFFFIPTM-AXAPSJFSSA-N 1 2 335.835 3.526 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176984767 1139591135 /nfs/dbraw/zinc/59/11/35/1139591135.db2.gz ZJWWPRPVWOBUTK-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176984767 1139591141 /nfs/dbraw/zinc/59/11/41/1139591141.db2.gz ZJWWPRPVWOBUTK-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO CC[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000177731648 1139636793 /nfs/dbraw/zinc/63/67/93/1139636793.db2.gz MWGZKTQFRJMLBB-ZIFCJYIRSA-N 1 2 340.471 3.669 20 0 EHADLO Cc1cc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)ccc1F ZINC000178480930 1139698663 /nfs/dbraw/zinc/69/86/63/1139698663.db2.gz KWVBFVXNVRXOJT-UHFFFAOYSA-N 1 2 343.324 3.958 20 0 EHADLO CS[C@H](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179226075 1139743614 /nfs/dbraw/zinc/74/36/14/1139743614.db2.gz QQQYHTNWFABXHO-CYBMUJFWSA-N 1 2 329.469 3.967 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ccon2)ccc1OCc1ccncc1 ZINC000179703325 1139775505 /nfs/dbraw/zinc/77/55/05/1139775505.db2.gz XUBOEJNKKJDEEH-AWEZNQCLSA-N 1 2 339.395 3.508 20 0 EHADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000180269760 1139822997 /nfs/dbraw/zinc/82/29/97/1139822997.db2.gz WYKHVUJEVZPUME-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000180269760 1139823007 /nfs/dbraw/zinc/82/30/07/1139823007.db2.gz WYKHVUJEVZPUME-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO c1cn(CCCSc2nc(C3CC3)n(-c3ccccc3)n2)c[nH+]1 ZINC000180429848 1139834666 /nfs/dbraw/zinc/83/46/66/1139834666.db2.gz SSAUSTRTINCDEB-UHFFFAOYSA-N 1 2 325.441 3.524 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCCc1ccc2ccccc2c1 ZINC000181436204 1139906509 /nfs/dbraw/zinc/90/65/09/1139906509.db2.gz IVJXODSYUNHZLT-UHFFFAOYSA-N 1 2 335.451 3.908 20 0 EHADLO CCCOc1ncccc1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182612478 1139983147 /nfs/dbraw/zinc/98/31/47/1139983147.db2.gz JBYPFRXRFRYMFO-KRWDZBQOSA-N 1 2 336.382 3.626 20 0 EHADLO CCO[C@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C12CCC2 ZINC000182940786 1140002891 /nfs/dbraw/zinc/00/28/91/1140002891.db2.gz CEURICYNNFHRDA-OALUTQOASA-N 1 2 341.455 3.722 20 0 EHADLO CC(C)Cn1cc(C[N@H+](C)Cc2ccc(Br)o2)cn1 ZINC000183046539 1140010089 /nfs/dbraw/zinc/01/00/89/1140010089.db2.gz VEYPXTMZWMNXRW-UHFFFAOYSA-N 1 2 326.238 3.527 20 0 EHADLO CC(C)Cn1cc(C[N@@H+](C)Cc2ccc(Br)o2)cn1 ZINC000183046539 1140010095 /nfs/dbraw/zinc/01/00/95/1140010095.db2.gz VEYPXTMZWMNXRW-UHFFFAOYSA-N 1 2 326.238 3.527 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000183111099 1140013695 /nfs/dbraw/zinc/01/36/95/1140013695.db2.gz FKSAHKPFMIPZQF-UHFFFAOYSA-N 1 2 334.414 3.771 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183117719 1140014734 /nfs/dbraw/zinc/01/47/34/1140014734.db2.gz CKAALKORWLHTAC-KSFYIVLOSA-N 1 2 336.526 3.695 20 0 EHADLO COC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(F)c(F)c1 ZINC000183151001 1140016490 /nfs/dbraw/zinc/01/64/90/1140016490.db2.gz FHTYYLGOBHSORK-QGZVFWFLSA-N 1 2 333.382 3.760 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[C@@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC000183186358 1140019829 /nfs/dbraw/zinc/01/98/29/1140019829.db2.gz WVCHTNDUVNWQJH-CYBMUJFWSA-N 1 2 343.427 3.545 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000183343733 1140031420 /nfs/dbraw/zinc/03/14/20/1140031420.db2.gz NXPTXKNFHGVDJA-MNOVXSKESA-N 1 2 345.834 3.844 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000183863785 1140062676 /nfs/dbraw/zinc/06/26/76/1140062676.db2.gz QQYWMMLJYGTPNT-NRFANRHFSA-N 1 2 348.450 3.502 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183920105 1140065728 /nfs/dbraw/zinc/06/57/28/1140065728.db2.gz PJUHITXECVYVSR-UHFFFAOYSA-N 1 2 330.378 3.582 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+](C)C[C@H](C)c2nccs2)n1 ZINC000183950499 1140068725 /nfs/dbraw/zinc/06/87/25/1140068725.db2.gz AQUJLTKBPYAHAN-AWEZNQCLSA-N 1 2 342.468 3.661 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+](C)C[C@H](C)c2nccs2)n1 ZINC000183950499 1140068729 /nfs/dbraw/zinc/06/87/29/1140068729.db2.gz AQUJLTKBPYAHAN-AWEZNQCLSA-N 1 2 342.468 3.661 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)n1 ZINC000183974868 1140071437 /nfs/dbraw/zinc/07/14/37/1140071437.db2.gz ICQXNLSJJNRYTL-OAHLLOKOSA-N 1 2 344.484 3.671 20 0 EHADLO CCCCOc1ccc(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000184114095 1140080273 /nfs/dbraw/zinc/08/02/73/1140080273.db2.gz HNFSDWIYVJHJRA-UHFFFAOYSA-N 1 2 335.835 3.536 20 0 EHADLO CSc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000184590168 1140110613 /nfs/dbraw/zinc/11/06/13/1140110613.db2.gz UWBWVJVTLSEAHU-AWEZNQCLSA-N 1 2 333.526 3.744 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(CC)Cc2ccccc2)cs1 ZINC000184733044 1140118271 /nfs/dbraw/zinc/11/82/71/1140118271.db2.gz ZYWCEMMGNBXOMM-GJZGRUSLSA-N 1 2 345.512 3.793 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000185699946 1140164331 /nfs/dbraw/zinc/16/43/31/1140164331.db2.gz XVBQPRRMHLAQDT-BBRMVZONSA-N 1 2 348.397 3.613 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000186735499 1140219046 /nfs/dbraw/zinc/21/90/46/1140219046.db2.gz OHVPFEMDSGVWOA-OAHLLOKOSA-N 1 2 333.435 3.659 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000186735499 1140219050 /nfs/dbraw/zinc/21/90/50/1140219050.db2.gz OHVPFEMDSGVWOA-OAHLLOKOSA-N 1 2 333.435 3.659 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000188843205 1140310310 /nfs/dbraw/zinc/31/03/10/1140310310.db2.gz YAKOJGBTYNAVPK-UHFFFAOYSA-N 1 2 331.847 3.592 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c[nH+]cn2C)o1 ZINC000189166690 1140323720 /nfs/dbraw/zinc/32/37/20/1140323720.db2.gz FUMKULUJOXFYDU-PBHICJAKSA-N 1 2 329.444 3.508 20 0 EHADLO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000189266388 1140331838 /nfs/dbraw/zinc/33/18/38/1140331838.db2.gz BSGSKAFFGBMHEA-SNVBAGLBSA-N 1 2 332.669 3.695 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000191820897 1140487167 /nfs/dbraw/zinc/48/71/67/1140487167.db2.gz GJBQCVJMVDOKJK-YPMHNXCESA-N 1 2 336.482 3.503 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000191820897 1140487172 /nfs/dbraw/zinc/48/71/72/1140487172.db2.gz GJBQCVJMVDOKJK-YPMHNXCESA-N 1 2 336.482 3.503 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2ccccc2o1 ZINC000192247357 1140513963 /nfs/dbraw/zinc/51/39/63/1140513963.db2.gz LVOAETYDFLUPTA-UHFFFAOYSA-N 1 2 325.412 3.744 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000192260408 1140516435 /nfs/dbraw/zinc/51/64/35/1140516435.db2.gz COAVEWPMOKSWFY-UHFFFAOYSA-N 1 2 343.258 3.633 20 0 EHADLO Nc1cc(CSc2ncnc3sc4c(c32)CCCC4)cc[nH+]1 ZINC000193058867 1140562147 /nfs/dbraw/zinc/56/21/47/1140562147.db2.gz MRUQGLGRBNJKRZ-UHFFFAOYSA-N 1 2 328.466 3.840 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000193133316 1140564867 /nfs/dbraw/zinc/56/48/67/1140564867.db2.gz GVIGCPIGLKVLRD-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000193667203 1140582480 /nfs/dbraw/zinc/58/24/80/1140582480.db2.gz LJULVMJTDZPTTE-HNNXBMFYSA-N 1 2 347.480 3.600 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000193667203 1140582486 /nfs/dbraw/zinc/58/24/86/1140582486.db2.gz LJULVMJTDZPTTE-HNNXBMFYSA-N 1 2 347.480 3.600 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000193721087 1140585066 /nfs/dbraw/zinc/58/50/66/1140585066.db2.gz REKKAGWWPWJEBZ-UHFFFAOYSA-N 1 2 347.409 3.607 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000194523537 1140612862 /nfs/dbraw/zinc/61/28/62/1140612862.db2.gz VFQUQVVVEPCEFS-UHFFFAOYSA-N 1 2 347.488 3.553 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000266517640 1140698138 /nfs/dbraw/zinc/69/81/38/1140698138.db2.gz YVHWBGYGXFSLAK-SMDDNHRTSA-N 1 2 349.887 3.951 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000266708329 1140717990 /nfs/dbraw/zinc/71/79/90/1140717990.db2.gz GXNVRWUANPMCAT-GDBMZVCRSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000266708329 1140717994 /nfs/dbraw/zinc/71/79/94/1140717994.db2.gz GXNVRWUANPMCAT-GDBMZVCRSA-N 1 2 347.434 3.932 20 0 EHADLO Fc1ccccc1-c1cnc(C[NH+]2CCC(c3ncc[nH]3)CC2)o1 ZINC000266764113 1140722145 /nfs/dbraw/zinc/72/21/45/1140722145.db2.gz QSVLTAAGBBNDMP-UHFFFAOYSA-N 1 2 326.375 3.583 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ncc(C(C)(C)C)o1 ZINC000267083871 1140757021 /nfs/dbraw/zinc/75/70/21/1140757021.db2.gz VMVHELDCSXHAHS-CHWSQXEVSA-N 1 2 341.455 3.903 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OC(F)F)cc2)cs1 ZINC000267668139 1140817451 /nfs/dbraw/zinc/81/74/51/1140817451.db2.gz YKDPYVRSGSNEPQ-JTQLQIEISA-N 1 2 328.384 3.742 20 0 EHADLO COc1ccccc1[C@H](C)[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000267735447 1140826622 /nfs/dbraw/zinc/82/66/22/1140826622.db2.gz ZRZLCCOXADNFDR-LFVRLGFBSA-N 1 2 328.437 3.661 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988696 1140862997 /nfs/dbraw/zinc/86/29/97/1140862997.db2.gz XTTLIYZYSJUTPE-AEEZDXSHSA-N 1 2 329.465 3.586 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1)c1cccs1 ZINC000267988696 1140863008 /nfs/dbraw/zinc/86/30/08/1140863008.db2.gz XTTLIYZYSJUTPE-AEEZDXSHSA-N 1 2 329.465 3.586 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268346996 1140923927 /nfs/dbraw/zinc/92/39/27/1140923927.db2.gz BZJDRIWWXWMRPA-KBPBESRZSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268346996 1140923930 /nfs/dbraw/zinc/92/39/30/1140923930.db2.gz BZJDRIWWXWMRPA-KBPBESRZSA-N 1 2 337.851 3.535 20 0 EHADLO C[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268357896 1140925747 /nfs/dbraw/zinc/92/57/47/1140925747.db2.gz GDFPFYONEVWCEU-SWLSCSKDSA-N 1 2 342.830 3.741 20 0 EHADLO CC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000268375713 1140929700 /nfs/dbraw/zinc/92/97/00/1140929700.db2.gz XCSVYGMVTKOUAT-ROUUACIJSA-N 1 2 339.439 3.783 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)no1 ZINC000268374342 1140929916 /nfs/dbraw/zinc/92/99/16/1140929916.db2.gz WUOLMZXYPLJFMI-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)no1 ZINC000268374342 1140929920 /nfs/dbraw/zinc/92/99/20/1140929920.db2.gz WUOLMZXYPLJFMI-SFHVURJKSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1F ZINC000268397598 1140932716 /nfs/dbraw/zinc/93/27/16/1140932716.db2.gz OUNPPXPREWGGQN-HNNXBMFYSA-N 1 2 342.414 3.780 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000268478465 1140944586 /nfs/dbraw/zinc/94/45/86/1140944586.db2.gz NQHZOEUPRYGTQK-GFCCVEGCSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)[nH]1 ZINC000268478465 1140944592 /nfs/dbraw/zinc/94/45/92/1140944592.db2.gz NQHZOEUPRYGTQK-GFCCVEGCSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000268478465 1140944597 /nfs/dbraw/zinc/94/45/97/1140944597.db2.gz NQHZOEUPRYGTQK-GFCCVEGCSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000268478465 1140944603 /nfs/dbraw/zinc/94/46/03/1140944603.db2.gz NQHZOEUPRYGTQK-GFCCVEGCSA-N 1 2 345.497 3.678 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000268550499 1140953955 /nfs/dbraw/zinc/95/39/55/1140953955.db2.gz GPPZSMDYSSASTK-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000268790188 1140992780 /nfs/dbraw/zinc/99/27/80/1140992780.db2.gz FRPUOMRMPKKWSO-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO CCC[C@@H](CCc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269027176 1141050023 /nfs/dbraw/zinc/05/00/23/1141050023.db2.gz RJJOWIKLSKOQNC-IBGZPJMESA-N 1 2 342.487 3.716 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)CCCO2 ZINC000269089018 1141062862 /nfs/dbraw/zinc/06/28/62/1141062862.db2.gz PZVDUVBPVPIZMR-WBMJQRKESA-N 1 2 348.468 3.863 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000269087643 1141063066 /nfs/dbraw/zinc/06/30/66/1141063066.db2.gz PUPFHVZTXLANBP-VXGBXAGGSA-N 1 2 337.464 3.906 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1F ZINC000269750951 1141141320 /nfs/dbraw/zinc/14/13/20/1141141320.db2.gz QLWRCDUDOWJOEX-GFCCVEGCSA-N 1 2 333.382 3.588 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CCC2)n1 ZINC000270265119 1141199220 /nfs/dbraw/zinc/19/92/20/1141199220.db2.gz UWYYVUMTBGWESF-ZDUSSCGKSA-N 1 2 335.498 3.929 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270335296 1141208946 /nfs/dbraw/zinc/20/89/46/1141208946.db2.gz FLTHFWWXCHYAGI-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270335296 1141208949 /nfs/dbraw/zinc/20/89/49/1141208949.db2.gz FLTHFWWXCHYAGI-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000270740244 1141264982 /nfs/dbraw/zinc/26/49/82/1141264982.db2.gz XFSIINLLPUKHKQ-FUHWJXTLSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000270740244 1141264986 /nfs/dbraw/zinc/26/49/86/1141264986.db2.gz XFSIINLLPUKHKQ-FUHWJXTLSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000271257506 1141334852 /nfs/dbraw/zinc/33/48/52/1141334852.db2.gz JZHGHVTVMGOCHP-DOTOQJQBSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000271257506 1141334860 /nfs/dbraw/zinc/33/48/60/1141334860.db2.gz JZHGHVTVMGOCHP-DOTOQJQBSA-N 1 2 335.444 3.520 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271422088 1141362958 /nfs/dbraw/zinc/36/29/58/1141362958.db2.gz ZNPUQGYQHSUHBM-TXWUCPMESA-N 1 2 327.424 3.507 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271422088 1141362965 /nfs/dbraw/zinc/36/29/65/1141362965.db2.gz ZNPUQGYQHSUHBM-TXWUCPMESA-N 1 2 327.424 3.507 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1N(C)C ZINC000271546750 1141393854 /nfs/dbraw/zinc/39/38/54/1141393854.db2.gz ZGHKKOCLTOEEJK-BDJLRTHQSA-N 1 2 338.373 3.554 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1OC(F)F ZINC000271562808 1141398695 /nfs/dbraw/zinc/39/86/95/1141398695.db2.gz XBNRWSHMNFXIHD-TVQRCGJNSA-N 1 2 325.334 3.878 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1OC(F)F ZINC000271562808 1141398703 /nfs/dbraw/zinc/39/87/03/1141398703.db2.gz XBNRWSHMNFXIHD-TVQRCGJNSA-N 1 2 325.334 3.878 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000339146779 1141509277 /nfs/dbraw/zinc/50/92/77/1141509277.db2.gz XFKBENOUWPRASO-OAHLLOKOSA-N 1 2 335.407 3.891 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000339144598 1141509570 /nfs/dbraw/zinc/50/95/70/1141509570.db2.gz IEMVWKNOXHMFNC-OAHLLOKOSA-N 1 2 335.407 3.891 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000339163570 1141514360 /nfs/dbraw/zinc/51/43/60/1141514360.db2.gz PYNPGKIFUHJFFL-KBXCAEBGSA-N 1 2 337.467 3.769 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CO)cc3)n2)cc1F ZINC000348537619 1141547984 /nfs/dbraw/zinc/54/79/84/1141547984.db2.gz XCSZGVUDVUFBIX-CYBMUJFWSA-N 1 2 341.386 3.527 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000348573063 1141553362 /nfs/dbraw/zinc/55/33/62/1141553362.db2.gz VGPIECPLFVHMDK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000348573063 1141553365 /nfs/dbraw/zinc/55/33/65/1141553365.db2.gz VGPIECPLFVHMDK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842462 1141594026 /nfs/dbraw/zinc/59/40/26/1141594026.db2.gz HXTKLEUJJOYGBQ-GFCCVEGCSA-N 1 2 336.357 3.587 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842462 1141594028 /nfs/dbraw/zinc/59/40/28/1141594028.db2.gz HXTKLEUJJOYGBQ-GFCCVEGCSA-N 1 2 336.357 3.587 20 0 EHADLO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349076188 1141633590 /nfs/dbraw/zinc/63/35/90/1141633590.db2.gz CEZYXHMVPKLEKU-XLIONFOSSA-N 1 2 345.446 3.966 20 0 EHADLO COc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC(F)F ZINC000097366501 219015624 /nfs/dbraw/zinc/01/56/24/219015624.db2.gz KHUWNOVRGUBNQX-UHFFFAOYSA-N 1 2 336.338 3.869 20 0 EHADLO CCOc1cccc2c1OCC(C(=O)Nc1c(C)cc(C)[nH+]c1C)=C2 ZINC000097366484 219015970 /nfs/dbraw/zinc/01/59/70/219015970.db2.gz HIUUYYBCQXFZPP-UHFFFAOYSA-N 1 2 338.407 3.820 20 0 EHADLO CCc1nsc(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000280152113 258014439 /nfs/dbraw/zinc/01/44/39/258014439.db2.gz FYQJYSZAERRZBI-UHFFFAOYSA-N 1 2 327.457 3.600 20 0 EHADLO Clc1cccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000013200899 135700082 /nfs/dbraw/zinc/70/00/82/135700082.db2.gz BRLVOVGBNYPHBQ-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO Cc1nc(N(C)C)nc(N[C@H]2CCSc3ccc(Cl)cc32)[nH+]1 ZINC000532626016 477958592 /nfs/dbraw/zinc/95/85/92/477958592.db2.gz QIMVXKRBUGEKLL-LBPRGKRZSA-N 1 2 335.864 3.548 20 0 EHADLO Cc1nc(N[C@H]2CCSc3ccc(Cl)cc32)nc(N(C)C)[nH+]1 ZINC000532626016 477958597 /nfs/dbraw/zinc/95/85/97/477958597.db2.gz QIMVXKRBUGEKLL-LBPRGKRZSA-N 1 2 335.864 3.548 20 0 EHADLO Clc1cnc(C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)s1 ZINC000583651544 564018315 /nfs/dbraw/zinc/01/83/15/564018315.db2.gz OVPFBSFCKQZYIV-LBPRGKRZSA-N 1 2 330.844 3.729 20 0 EHADLO Clc1cnc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)s1 ZINC000583651544 564018316 /nfs/dbraw/zinc/01/83/16/564018316.db2.gz OVPFBSFCKQZYIV-LBPRGKRZSA-N 1 2 330.844 3.729 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3cc4cccnc4o3)CCO2)ccc1F ZINC000449031396 1032068234 /nfs/dbraw/zinc/06/82/34/1032068234.db2.gz UWFDYKJLWZGYNK-GOSISDBHSA-N 1 2 326.371 3.849 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3cc4cccnc4o3)CCO2)ccc1F ZINC000449031396 1032068254 /nfs/dbraw/zinc/06/82/54/1032068254.db2.gz UWFDYKJLWZGYNK-GOSISDBHSA-N 1 2 326.371 3.849 20 0 EHADLO CCC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000278706011 1032072489 /nfs/dbraw/zinc/07/24/89/1032072489.db2.gz BPQMNMZHPNDLCQ-AWEZNQCLSA-N 1 2 339.361 3.937 20 0 EHADLO Clc1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(Cl)s1 ZINC000449035187 1032074840 /nfs/dbraw/zinc/07/48/40/1032074840.db2.gz GBWALXGOIFHELN-LBPRGKRZSA-N 1 2 336.284 3.825 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662769 1032080771 /nfs/dbraw/zinc/08/07/71/1032080771.db2.gz YNVGVSCGUDSLOP-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1 ZINC000536662769 1032080785 /nfs/dbraw/zinc/08/07/85/1032080785.db2.gz YNVGVSCGUDSLOP-JLTOFOAXSA-N 1 2 345.414 3.805 20 0 EHADLO Cc1cn2cc(NC(=O)c3nc(-c4ccco4)sc3C)ccc2[nH+]1 ZINC000339277038 1014145314 /nfs/dbraw/zinc/14/53/14/1014145314.db2.gz ZRMJLIJANVDXRA-UHFFFAOYSA-N 1 2 338.392 3.920 20 0 EHADLO O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108541 1014331475 /nfs/dbraw/zinc/33/14/75/1014331475.db2.gz DUYBYIMUKWXKHQ-KXBFYZLASA-N 1 2 346.352 3.893 20 0 EHADLO O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000683108541 1014331486 /nfs/dbraw/zinc/33/14/86/1014331486.db2.gz DUYBYIMUKWXKHQ-KXBFYZLASA-N 1 2 346.352 3.893 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000339430296 1014419663 /nfs/dbraw/zinc/41/96/63/1014419663.db2.gz SVKNUGKYODROME-QWRGUYRKSA-N 1 2 331.420 3.583 20 0 EHADLO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000339461291 1014516361 /nfs/dbraw/zinc/51/63/61/1014516361.db2.gz HDHHSEPDWHPAJN-JTQLQIEISA-N 1 2 341.228 3.611 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000274681184 1014526794 /nfs/dbraw/zinc/52/67/94/1014526794.db2.gz ZURBXNPUPFEVMZ-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000153937120 1014604283 /nfs/dbraw/zinc/60/42/83/1014604283.db2.gz FWIPKDIHVUTGQE-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000153937120 1014604292 /nfs/dbraw/zinc/60/42/92/1014604292.db2.gz FWIPKDIHVUTGQE-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO C[C@H](Oc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000530468812 1014631474 /nfs/dbraw/zinc/63/14/74/1014631474.db2.gz XTQBUUPBAYBCPV-INIZCTEOSA-N 1 2 349.434 3.533 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182474709 1032102321 /nfs/dbraw/zinc/10/23/21/1032102321.db2.gz SHOVZYWRAHJCHO-XEYRCQSKSA-N 1 2 337.467 3.613 20 0 EHADLO CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339548710 1014808702 /nfs/dbraw/zinc/80/87/02/1014808702.db2.gz MCFBCDAAJYFTJS-CJNGLKHVSA-N 1 2 333.819 3.669 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000650106698 1014830624 /nfs/dbraw/zinc/83/06/24/1014830624.db2.gz UYJIVTNXJSICOC-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1C[N@H+]([C@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000650106698 1014830636 /nfs/dbraw/zinc/83/06/36/1014830636.db2.gz UYJIVTNXJSICOC-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc(C[N@H+](C)Cn2c3ccccc3n(C)c2=S)c1 ZINC000021323074 1014866212 /nfs/dbraw/zinc/86/62/12/1014866212.db2.gz STWKBDZSHTWXAN-UHFFFAOYSA-N 1 2 327.453 3.807 20 0 EHADLO COc1cccc(C[N@@H+](C)Cn2c3ccccc3n(C)c2=S)c1 ZINC000021323074 1014866226 /nfs/dbraw/zinc/86/62/26/1014866226.db2.gz STWKBDZSHTWXAN-UHFFFAOYSA-N 1 2 327.453 3.807 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000065941684 1015000915 /nfs/dbraw/zinc/00/09/15/1015000915.db2.gz KRFKCQBXOXQYCM-CQSZACIVSA-N 1 2 327.325 3.706 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000065941684 1015000925 /nfs/dbraw/zinc/00/09/25/1015000925.db2.gz KRFKCQBXOXQYCM-CQSZACIVSA-N 1 2 327.325 3.706 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000655105137 1015009051 /nfs/dbraw/zinc/00/90/51/1015009051.db2.gz JIYCYBDOSUFCEM-CYBMUJFWSA-N 1 2 331.847 3.523 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000655105137 1015009058 /nfs/dbraw/zinc/00/90/58/1015009058.db2.gz JIYCYBDOSUFCEM-CYBMUJFWSA-N 1 2 331.847 3.523 20 0 EHADLO FC(F)Oc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001204424425 1015038828 /nfs/dbraw/zinc/03/88/28/1015038828.db2.gz QNXSJTKPXYCQRV-HNNXBMFYSA-N 1 2 346.368 3.593 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000655156801 1015152554 /nfs/dbraw/zinc/15/25/54/1015152554.db2.gz OSTDFTBCHSIENX-MRXNPFEDSA-N 1 2 327.472 3.836 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000655156801 1015152561 /nfs/dbraw/zinc/15/25/61/1015152561.db2.gz OSTDFTBCHSIENX-MRXNPFEDSA-N 1 2 327.472 3.836 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)Cc1c(F)cccc1F ZINC000339601073 1015163480 /nfs/dbraw/zinc/16/34/80/1015163480.db2.gz OHAYJEOYCQRNNT-UHFFFAOYSA-N 1 2 348.784 3.831 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)Cc1c(F)cccc1F ZINC000339601073 1015163492 /nfs/dbraw/zinc/16/34/92/1015163492.db2.gz OHAYJEOYCQRNNT-UHFFFAOYSA-N 1 2 348.784 3.831 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)CSc3ccccc3)ccn12 ZINC000655161864 1015169793 /nfs/dbraw/zinc/16/97/93/1015169793.db2.gz DCMTWWNSYHOQNG-OAHLLOKOSA-N 1 2 339.464 3.896 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1F ZINC000471173038 1015255759 /nfs/dbraw/zinc/25/57/59/1015255759.db2.gz OELDMOMHFSBXFV-POHAHGRESA-N 1 2 338.426 3.605 20 0 EHADLO COc1nccnc1C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000449044430 1032114015 /nfs/dbraw/zinc/11/40/15/1032114015.db2.gz DRMDAAWQCGIHKM-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO COc1nccnc1C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000449044430 1032114020 /nfs/dbraw/zinc/11/40/20/1032114020.db2.gz DRMDAAWQCGIHKM-UHFFFAOYSA-N 1 2 349.356 3.793 20 0 EHADLO CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCCCC1 ZINC000547703891 1015331658 /nfs/dbraw/zinc/33/16/58/1015331658.db2.gz UHHAFDKZRZQMQP-UHFFFAOYSA-N 1 2 341.455 3.791 20 0 EHADLO Cc1nc(CN2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)oc1C ZINC000179434542 1015388006 /nfs/dbraw/zinc/38/80/06/1015388006.db2.gz WUFSDRRTBSVNCJ-ONEGZZNKSA-N 1 2 345.874 3.776 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339627778 1015412725 /nfs/dbraw/zinc/41/27/25/1015412725.db2.gz AUVBEBAIAXCMLK-LSDHHAIUSA-N 1 2 342.443 3.619 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109257411 1015547207 /nfs/dbraw/zinc/54/72/07/1015547207.db2.gz SGBZBPAWKQBXJW-LBPRGKRZSA-N 1 2 337.801 3.896 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC000655412719 1015594734 /nfs/dbraw/zinc/59/47/34/1015594734.db2.gz XGGABQIIFXCUIT-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO Cc1cncc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1 ZINC000430270139 1015623630 /nfs/dbraw/zinc/62/36/30/1015623630.db2.gz AYVYFOCNMPORSH-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1cncc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1 ZINC000430270139 1015623640 /nfs/dbraw/zinc/62/36/40/1015623640.db2.gz AYVYFOCNMPORSH-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(Cl)cn2)c(OC)c1 ZINC000274916454 1015638116 /nfs/dbraw/zinc/63/81/16/1015638116.db2.gz OGRHXDHBRGRPOD-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825654 1015709557 /nfs/dbraw/zinc/70/95/57/1015709557.db2.gz WTMVVRYJUDDHSB-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825654 1015709564 /nfs/dbraw/zinc/70/95/64/1015709564.db2.gz WTMVVRYJUDDHSB-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO COCCOc1ccccc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179849424 1015727519 /nfs/dbraw/zinc/72/75/19/1015727519.db2.gz DLZKCHASCRBSFG-UHFFFAOYSA-N 1 2 336.435 3.751 20 0 EHADLO COCCOc1ccccc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179849424 1015727524 /nfs/dbraw/zinc/72/75/24/1015727524.db2.gz DLZKCHASCRBSFG-UHFFFAOYSA-N 1 2 336.435 3.751 20 0 EHADLO COc1cc(C)nc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000339840682 1015737034 /nfs/dbraw/zinc/73/70/34/1015737034.db2.gz FBHHOCUFPHMNCD-LJQANCHMSA-N 1 2 344.430 3.719 20 0 EHADLO COc1cc(C)nc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000339840682 1015737041 /nfs/dbraw/zinc/73/70/41/1015737041.db2.gz FBHHOCUFPHMNCD-LJQANCHMSA-N 1 2 344.430 3.719 20 0 EHADLO Cc1cncc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000339848598 1015749026 /nfs/dbraw/zinc/74/90/26/1015749026.db2.gz WZXFTEMIHHXWKZ-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154832840 1015842373 /nfs/dbraw/zinc/84/23/73/1015842373.db2.gz DKLASCUQKQKIER-UHFFFAOYSA-N 1 2 337.876 3.811 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C ZINC000584323127 1032138146 /nfs/dbraw/zinc/13/81/46/1032138146.db2.gz ZAXHMUCXZOMFFE-AOIWGVFYSA-N 1 2 339.483 3.662 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683313698 1016092621 /nfs/dbraw/zinc/09/26/21/1016092621.db2.gz CBSDPRRDZJDYDG-NSHDSACASA-N 1 2 342.201 3.806 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)co1 ZINC000528363664 1032146760 /nfs/dbraw/zinc/14/67/60/1032146760.db2.gz LECNKBCSVKYEIA-INIZCTEOSA-N 1 2 325.474 3.618 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)co1 ZINC000528363664 1032146768 /nfs/dbraw/zinc/14/67/68/1032146768.db2.gz LECNKBCSVKYEIA-INIZCTEOSA-N 1 2 325.474 3.618 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1C ZINC000155241736 1016350880 /nfs/dbraw/zinc/35/08/80/1016350880.db2.gz JXDWLMJZOLNULZ-SFHVURJKSA-N 1 2 333.863 3.747 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1C ZINC000155241736 1016350887 /nfs/dbraw/zinc/35/08/87/1016350887.db2.gz JXDWLMJZOLNULZ-SFHVURJKSA-N 1 2 333.863 3.747 20 0 EHADLO Cc1ccc(SC[C@H](C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000545329805 1016377505 /nfs/dbraw/zinc/37/75/05/1016377505.db2.gz QKBGYZUPARYHGN-HNNXBMFYSA-N 1 2 329.469 3.731 20 0 EHADLO Cc1oc2nc(C[N@@H+](C)[C@H](C)c3ccc(F)cc3)nc(N)c2c1C ZINC000178392565 1016634162 /nfs/dbraw/zinc/63/41/62/1016634162.db2.gz BBLVKUXCFSQIND-LLVKDONJSA-N 1 2 328.391 3.754 20 0 EHADLO Cc1oc2nc(C[N@H+](C)[C@H](C)c3ccc(F)cc3)nc(N)c2c1C ZINC000178392565 1016634176 /nfs/dbraw/zinc/63/41/76/1016634176.db2.gz BBLVKUXCFSQIND-LLVKDONJSA-N 1 2 328.391 3.754 20 0 EHADLO CS[C@@H](C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000340243612 1016772772 /nfs/dbraw/zinc/77/27/72/1016772772.db2.gz HSJGGUJHEOQDCX-ZDUSSCGKSA-N 1 2 344.484 3.759 20 0 EHADLO FC(F)(F)Oc1cccc(C2([NH2+]Cc3cc4n(n3)CCC4)CC2)c1 ZINC000653846972 1016792641 /nfs/dbraw/zinc/79/26/41/1016792641.db2.gz NAHZIPISTWHOIF-UHFFFAOYSA-N 1 2 337.345 3.507 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046341630 1016850634 /nfs/dbraw/zinc/85/06/34/1016850634.db2.gz HMAGDBFIHGYBIT-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046341630 1016850643 /nfs/dbraw/zinc/85/06/43/1016850643.db2.gz HMAGDBFIHGYBIT-OKILXGFUSA-N 1 2 344.480 3.918 20 0 EHADLO Cc1ccc(C[S@](=O)[C@H](C)c2nccn2-c2ccccc2)c(C)[nH+]1 ZINC000376613045 1016918672 /nfs/dbraw/zinc/91/86/72/1016918672.db2.gz WZXAKRMVTPAVKA-GYCJOSAFSA-N 1 2 339.464 3.894 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(-c3ccccn3)s1)CCO2 ZINC000348633135 1016983689 /nfs/dbraw/zinc/98/36/89/1016983689.db2.gz JFQSMOIWMNKZBC-UHFFFAOYSA-N 1 2 337.448 3.908 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(-c3ccccn3)s1)CCO2 ZINC000348633135 1016983699 /nfs/dbraw/zinc/98/36/99/1016983699.db2.gz JFQSMOIWMNKZBC-UHFFFAOYSA-N 1 2 337.448 3.908 20 0 EHADLO Fc1ccc(-c2nc(CNCc3c[nH+]c4n3CCCC4)cs2)cc1 ZINC000376728428 1016995053 /nfs/dbraw/zinc/99/50/53/1016995053.db2.gz KGGGJAOXVIQGIN-UHFFFAOYSA-N 1 2 342.443 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@H](C)S1 ZINC000088185812 1017022004 /nfs/dbraw/zinc/02/20/04/1017022004.db2.gz QSDUSKMXZBGXFT-PHIMTYICSA-N 1 2 347.265 3.617 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@H](C)S1 ZINC000088185812 1017022013 /nfs/dbraw/zinc/02/20/13/1017022013.db2.gz QSDUSKMXZBGXFT-PHIMTYICSA-N 1 2 347.265 3.617 20 0 EHADLO COc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c(C(F)(F)F)c1 ZINC001143483511 1017041223 /nfs/dbraw/zinc/04/12/23/1017041223.db2.gz FYEOPUKWMVMEEX-NSHDSACASA-N 1 2 335.366 3.743 20 0 EHADLO CC(C)(C)C[N@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000528374109 1032177202 /nfs/dbraw/zinc/17/72/02/1032177202.db2.gz WBRUXGUPDBRUEY-UHFFFAOYSA-N 1 2 335.469 3.731 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000528374109 1032177212 /nfs/dbraw/zinc/17/72/12/1032177212.db2.gz WBRUXGUPDBRUEY-UHFFFAOYSA-N 1 2 335.469 3.731 20 0 EHADLO Clc1cccnc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000528368525 1032199212 /nfs/dbraw/zinc/19/92/12/1032199212.db2.gz NQSDBOXJMARZDB-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cccnc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000528368525 1032199221 /nfs/dbraw/zinc/19/92/21/1032199221.db2.gz NQSDBOXJMARZDB-MRXNPFEDSA-N 1 2 330.815 3.843 20 0 EHADLO c1cn(CCCCNc2nc3ccccc3c(-c3ccccc3)n2)c[nH+]1 ZINC000538190494 1032208750 /nfs/dbraw/zinc/20/87/50/1032208750.db2.gz JSUUHBTUBYUITP-UHFFFAOYSA-N 1 2 343.434 3.808 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2ccnc(OCc3ccccc3)c2)[nH+]1 ZINC000080947865 1032223244 /nfs/dbraw/zinc/22/32/44/1032223244.db2.gz UFSIFEMXWKIOHU-UHFFFAOYSA-N 1 2 345.406 3.852 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2nn(-c3ccccc3)c3c2CCC3)[nH+]1 ZINC000080949512 1032225489 /nfs/dbraw/zinc/22/54/89/1032225489.db2.gz SJOKTKOAZYVFOL-UHFFFAOYSA-N 1 2 344.422 3.553 20 0 EHADLO COCc1cc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)no1 ZINC000459516997 1032227549 /nfs/dbraw/zinc/22/75/49/1032227549.db2.gz AITJBJRKWMBRKI-UHFFFAOYSA-N 1 2 338.810 3.935 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081178312 1032256890 /nfs/dbraw/zinc/25/68/90/1032256890.db2.gz JEDUCRXNYBZQAU-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO Fc1cc([C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306518 1032285784 /nfs/dbraw/zinc/28/57/84/1032285784.db2.gz PUIZXKDTEUEUNB-ZBEGNZNMSA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CCO2)c(Cl)cc1Cl ZINC000538306518 1032285796 /nfs/dbraw/zinc/28/57/96/1032285796.db2.gz PUIZXKDTEUEUNB-ZBEGNZNMSA-N 1 2 348.245 3.932 20 0 EHADLO CCCOc1c(Cl)cc(C[NH+]2CC3(C2)CCCOC3)cc1OC ZINC000459611065 1032307642 /nfs/dbraw/zinc/30/76/42/1032307642.db2.gz UDEFTZWAXQNAJE-UHFFFAOYSA-N 1 2 339.863 3.750 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ncc(Cl)cc1Cl ZINC000459595393 1032317081 /nfs/dbraw/zinc/31/70/81/1032317081.db2.gz MSOADXYCBURRQS-UHFFFAOYSA-N 1 2 327.259 3.780 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ncc(Cl)cc1Cl ZINC000459595393 1032317088 /nfs/dbraw/zinc/31/70/88/1032317088.db2.gz MSOADXYCBURRQS-UHFFFAOYSA-N 1 2 327.259 3.780 20 0 EHADLO Cc1ccc(CSCc2nnnn2-c2c(C)cccc2C)c(C)[nH+]1 ZINC000184818521 1032323415 /nfs/dbraw/zinc/32/34/15/1032323415.db2.gz BRZRSYYLKOZORX-UHFFFAOYSA-N 1 2 339.468 3.724 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cccnc1C(F)(F)F ZINC000528480915 1032331103 /nfs/dbraw/zinc/33/11/03/1032331103.db2.gz LUOJQZDTKAEMIT-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cccnc1C(F)(F)F ZINC000528480915 1032331111 /nfs/dbraw/zinc/33/11/11/1032331111.db2.gz LUOJQZDTKAEMIT-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO COc1cccc2c(CNc3ccc(N4CCOCC4)[nH+]c3)cccc12 ZINC000449222100 1032337637 /nfs/dbraw/zinc/33/76/37/1032337637.db2.gz LKOVMBHMACIQAO-UHFFFAOYSA-N 1 2 349.434 3.692 20 0 EHADLO CC1(CC(F)(F)F)C[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459639484 1032357960 /nfs/dbraw/zinc/35/79/60/1032357960.db2.gz ODFWPGXEDXWTNC-UHFFFAOYSA-N 1 2 327.325 3.786 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000449256156 1032364559 /nfs/dbraw/zinc/36/45/59/1032364559.db2.gz HNGBVPXSHVPOMH-GOSISDBHSA-N 1 2 328.481 3.539 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000449256156 1032364565 /nfs/dbraw/zinc/36/45/65/1032364565.db2.gz HNGBVPXSHVPOMH-GOSISDBHSA-N 1 2 328.481 3.539 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)Cn1cc[nH+]c1 ZINC000081799912 1032366444 /nfs/dbraw/zinc/36/64/44/1032366444.db2.gz WGYDRJPNOPNALY-RYUDHWBXSA-N 1 2 340.254 3.746 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000278754485 1032372852 /nfs/dbraw/zinc/37/28/52/1032372852.db2.gz FOODTIOKVGVOLQ-UHFFFAOYSA-N 1 2 340.254 3.661 20 0 EHADLO COc1cccc(C2(NC(=O)Nc3ccc4[nH+]ccn4c3)CCC2)c1 ZINC000666131862 1032388726 /nfs/dbraw/zinc/38/87/26/1032388726.db2.gz LQCBQPOBXBORKA-UHFFFAOYSA-N 1 2 336.395 3.544 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Cl)cc3cccnc32)[nH]1 ZINC000459670151 1032399313 /nfs/dbraw/zinc/39/93/13/1032399313.db2.gz HIEBRLUQZUSDDI-UHFFFAOYSA-N 1 2 329.835 3.594 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccncc1F ZINC000449260875 1032407907 /nfs/dbraw/zinc/40/79/07/1032407907.db2.gz YZCBWNAQTIOLBY-JQFCIGGWSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1F ZINC000449260875 1032407914 /nfs/dbraw/zinc/40/79/14/1032407914.db2.gz YZCBWNAQTIOLBY-JQFCIGGWSA-N 1 2 334.435 3.696 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000102519519 1032427112 /nfs/dbraw/zinc/42/71/12/1032427112.db2.gz IPPNEVZPGWQLJC-LBPRGKRZSA-N 1 2 338.354 3.730 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000102519519 1032427117 /nfs/dbraw/zinc/42/71/17/1032427117.db2.gz IPPNEVZPGWQLJC-LBPRGKRZSA-N 1 2 338.354 3.730 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485165 1033366173 /nfs/dbraw/zinc/36/61/73/1033366173.db2.gz PWSUCBMMIQAMLI-CHWSQXEVSA-N 1 2 328.551 3.638 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485165 1033366186 /nfs/dbraw/zinc/36/61/86/1033366186.db2.gz PWSUCBMMIQAMLI-CHWSQXEVSA-N 1 2 328.551 3.638 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486459 1033366604 /nfs/dbraw/zinc/36/66/04/1033366604.db2.gz UMZHBCOCZNEUHE-KGLIPLIRSA-N 1 2 340.562 3.704 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486459 1033366617 /nfs/dbraw/zinc/36/66/17/1033366617.db2.gz UMZHBCOCZNEUHE-KGLIPLIRSA-N 1 2 340.562 3.704 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(F)c1Br)C1CC1 ZINC000449322992 1032436589 /nfs/dbraw/zinc/43/65/89/1032436589.db2.gz QWKZKBALZHMIPK-CQSZACIVSA-N 1 2 338.224 3.563 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c(Br)c1 ZINC000459739082 1032453791 /nfs/dbraw/zinc/45/37/91/1032453791.db2.gz CZTQEXLFKQZUHP-MNOVXSKESA-N 1 2 338.249 3.603 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ncc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000459769054 1032471315 /nfs/dbraw/zinc/47/13/15/1032471315.db2.gz LYKDUJRXXZSVDS-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ncc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000459769054 1032471317 /nfs/dbraw/zinc/47/13/17/1032471317.db2.gz LYKDUJRXXZSVDS-SECBINFHSA-N 1 2 338.395 3.572 20 0 EHADLO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(F)c3C2)cc1Cl ZINC000459770101 1032473352 /nfs/dbraw/zinc/47/33/52/1032473352.db2.gz ZIFHWSLFZVDTNS-UHFFFAOYSA-N 1 2 348.805 3.832 20 0 EHADLO COc1ccc(NC(=O)CC[N@H+]2Cc3cccc(F)c3C2)cc1Cl ZINC000459770101 1032473356 /nfs/dbraw/zinc/47/33/56/1032473356.db2.gz ZIFHWSLFZVDTNS-UHFFFAOYSA-N 1 2 348.805 3.832 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802438 1032482066 /nfs/dbraw/zinc/48/20/66/1032482066.db2.gz YMHVTKLBAJNMIL-LSDHHAIUSA-N 1 2 328.460 3.530 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000086232819 1032482159 /nfs/dbraw/zinc/48/21/59/1032482159.db2.gz YWTXLCJLCYXUAX-INIZCTEOSA-N 1 2 348.487 3.661 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000086232819 1032482164 /nfs/dbraw/zinc/48/21/64/1032482164.db2.gz YWTXLCJLCYXUAX-INIZCTEOSA-N 1 2 348.487 3.661 20 0 EHADLO Cc1nnc(C[N@H+](Cc2cccc(C(F)(F)F)c2)CC(C)C)[nH]1 ZINC000528603545 1032488587 /nfs/dbraw/zinc/48/85/87/1032488587.db2.gz FEWDWJPDBRDUNP-UHFFFAOYSA-N 1 2 326.366 3.790 20 0 EHADLO Cc1nnc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC(C)C)[nH]1 ZINC000528603545 1032488593 /nfs/dbraw/zinc/48/85/93/1032488593.db2.gz FEWDWJPDBRDUNP-UHFFFAOYSA-N 1 2 326.366 3.790 20 0 EHADLO COc1ncc(Br)cc1C[N@H+](C)Cc1ccsc1 ZINC000659822930 1017093896 /nfs/dbraw/zinc/09/38/96/1017093896.db2.gz XBHMQVPIIVEYJO-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ncc(Br)cc1C[N@@H+](C)Cc1ccsc1 ZINC000659822930 1017093903 /nfs/dbraw/zinc/09/39/03/1017093903.db2.gz XBHMQVPIIVEYJO-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2nsc3ccccc32)C2CC2)cc1 ZINC000659822940 1017093929 /nfs/dbraw/zinc/09/39/29/1017093929.db2.gz PWRVMVZBWFGPGC-UHFFFAOYSA-N 1 2 337.448 3.560 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2nsc3ccccc32)C2CC2)cc1 ZINC000659822940 1017093932 /nfs/dbraw/zinc/09/39/32/1017093932.db2.gz PWRVMVZBWFGPGC-UHFFFAOYSA-N 1 2 337.448 3.560 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)c1ccccc1 ZINC000170250592 1032501662 /nfs/dbraw/zinc/50/16/62/1032501662.db2.gz WUXFVPRTGRRTOI-GOSISDBHSA-N 1 2 331.419 3.679 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3noc(C(C)C)n3)CC2(C)C)c1 ZINC000528626740 1032523090 /nfs/dbraw/zinc/52/30/90/1032523090.db2.gz REMLODAXMJEJGV-MRXNPFEDSA-N 1 2 329.444 3.827 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3noc(C(C)C)n3)CC2(C)C)c1 ZINC000528626740 1032523095 /nfs/dbraw/zinc/52/30/95/1032523095.db2.gz REMLODAXMJEJGV-MRXNPFEDSA-N 1 2 329.444 3.827 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)NCc1ccccc1 ZINC000537127816 1032528605 /nfs/dbraw/zinc/52/86/05/1032528605.db2.gz HGACZXFHFITBJN-UHFFFAOYSA-N 1 2 349.261 3.889 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c(C)c1 ZINC000537192097 1032552495 /nfs/dbraw/zinc/55/24/95/1032552495.db2.gz QBDPSBKBCUOKFN-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO c1csc(-c2noc(C[NH2+][C@@H](c3ccccn3)C3CCC3)n2)c1 ZINC000528648913 1032554695 /nfs/dbraw/zinc/55/46/95/1032554695.db2.gz JUNCXTCFPUSQMR-MRXNPFEDSA-N 1 2 326.425 3.824 20 0 EHADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000081478493 1032558458 /nfs/dbraw/zinc/55/84/58/1032558458.db2.gz CYDDKIOAWFXULL-HZPDHXFCSA-N 1 2 340.471 3.555 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000449471738 1032590248 /nfs/dbraw/zinc/59/02/48/1032590248.db2.gz NOKFKDPWJVOSOY-HNNXBMFYSA-N 1 2 337.345 3.671 20 0 EHADLO Cc1ccc(O)c(C(=O)c2cnn(-c3cc[nH+]c4ccccc43)c2)c1 ZINC000592824473 1032592509 /nfs/dbraw/zinc/59/25/09/1032592509.db2.gz KUBSOFDURWIAIC-UHFFFAOYSA-N 1 2 329.359 3.666 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)nc(C)n1 ZINC000659823796 1017103129 /nfs/dbraw/zinc/10/31/29/1017103129.db2.gz VOMOGGNIGPKPKP-UHFFFAOYSA-N 1 2 325.334 3.624 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)nc(C)n1 ZINC000659823796 1017103136 /nfs/dbraw/zinc/10/31/36/1017103136.db2.gz VOMOGGNIGPKPKP-UHFFFAOYSA-N 1 2 325.334 3.624 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000606320027 1032604990 /nfs/dbraw/zinc/60/49/90/1032604990.db2.gz ZSNNVIZUMXDZHD-OAHLLOKOSA-N 1 2 349.409 3.830 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1OCC ZINC000449481768 1032608646 /nfs/dbraw/zinc/60/86/46/1032608646.db2.gz VQBLJVYCMMMNFM-UHFFFAOYSA-N 1 2 337.851 3.551 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)c1 ZINC000592981992 1032653739 /nfs/dbraw/zinc/65/37/39/1032653739.db2.gz WQDRICUHORUQPE-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)c1 ZINC000592981992 1032653749 /nfs/dbraw/zinc/65/37/49/1032653749.db2.gz WQDRICUHORUQPE-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602107446 1032656039 /nfs/dbraw/zinc/65/60/39/1032656039.db2.gz QYABXOXVPBQEIO-YNEHKIRRSA-N 1 2 349.422 3.509 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000606449168 1032687559 /nfs/dbraw/zinc/68/75/59/1032687559.db2.gz PGZHIVNYHHGQHR-LBPRGKRZSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000606449168 1032687566 /nfs/dbraw/zinc/68/75/66/1032687566.db2.gz PGZHIVNYHHGQHR-LBPRGKRZSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606449414 1032688742 /nfs/dbraw/zinc/68/87/42/1032688742.db2.gz VRWQEOJBIRTHLG-OAHLLOKOSA-N 1 2 338.426 3.724 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606449414 1032688750 /nfs/dbraw/zinc/68/87/50/1032688750.db2.gz VRWQEOJBIRTHLG-OAHLLOKOSA-N 1 2 338.426 3.724 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450264 1032691562 /nfs/dbraw/zinc/69/15/62/1032691562.db2.gz TYIMNGGQNSASDX-ZRGWGRIASA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450264 1032691566 /nfs/dbraw/zinc/69/15/66/1032691566.db2.gz TYIMNGGQNSASDX-ZRGWGRIASA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606450347 1032691725 /nfs/dbraw/zinc/69/17/25/1032691725.db2.gz XJCXASORXIRFLJ-CABCVRRESA-N 1 2 326.415 3.622 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 ZINC000606450347 1032691729 /nfs/dbraw/zinc/69/17/29/1032691729.db2.gz XJCXASORXIRFLJ-CABCVRRESA-N 1 2 326.415 3.622 20 0 EHADLO CC[C@H](CN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000613641916 1017374412 /nfs/dbraw/zinc/37/44/12/1017374412.db2.gz SJXCYJZTJNZMSZ-KBAYOESNSA-N 1 2 325.456 3.566 20 0 EHADLO CC(C)c1ccc(CN(C)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057375320 1017376052 /nfs/dbraw/zinc/37/60/52/1017376052.db2.gz RHRGSSJXSHPGTL-UHFFFAOYSA-N 1 2 328.460 3.628 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000890940413 1017405353 /nfs/dbraw/zinc/40/53/53/1017405353.db2.gz ITZLYFSNTKQEIJ-MRXNPFEDSA-N 1 2 329.444 3.648 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000288876354 1017439139 /nfs/dbraw/zinc/43/91/39/1017439139.db2.gz QVAPOECNUDLQCB-OAHLLOKOSA-N 1 2 338.766 3.865 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(C)c3ccccc3n2)c2c(n1)CCCC2 ZINC000892806100 1017476958 /nfs/dbraw/zinc/47/69/58/1017476958.db2.gz XRRUQHYTQAEAOG-UHFFFAOYSA-N 1 2 332.451 3.810 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794595 1032705273 /nfs/dbraw/zinc/70/52/73/1032705273.db2.gz BCHDOTDJPHQJGA-JKSUJKDBSA-N 1 2 347.459 3.514 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081794595 1032705291 /nfs/dbraw/zinc/70/52/91/1032705291.db2.gz BCHDOTDJPHQJGA-JKSUJKDBSA-N 1 2 347.459 3.514 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)cs1 ZINC000528736292 1032707382 /nfs/dbraw/zinc/70/73/82/1032707382.db2.gz SPJPZFFJYWFDIL-IBGZPJMESA-N 1 2 344.480 3.649 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)cs1 ZINC000528736292 1032707397 /nfs/dbraw/zinc/70/73/97/1032707397.db2.gz SPJPZFFJYWFDIL-IBGZPJMESA-N 1 2 344.480 3.649 20 0 EHADLO Fc1ccc(Oc2ccc(C[NH2+]Cc3nccn3C(F)F)cn2)cc1 ZINC000606469316 1032710238 /nfs/dbraw/zinc/71/02/38/1032710238.db2.gz POGHPVVZWULYTP-UHFFFAOYSA-N 1 2 348.328 3.894 20 0 EHADLO Cc1cc(N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000549195476 1017605465 /nfs/dbraw/zinc/60/54/65/1017605465.db2.gz MDERSQYZZOARNS-HNNXBMFYSA-N 1 2 331.382 3.845 20 0 EHADLO c1ccc(C[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc2)cc1 ZINC000655795395 1017628671 /nfs/dbraw/zinc/62/86/71/1017628671.db2.gz BCAWERFNZDQXPO-MOPGFXCFSA-N 1 2 348.450 3.730 20 0 EHADLO COc1ccc([C@H](CC(C)C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796661 1017630897 /nfs/dbraw/zinc/63/08/97/1017630897.db2.gz HOVZXYTZINSZQD-IRXDYDNUSA-N 1 2 344.459 3.542 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)cs1 ZINC000177400407 1017674782 /nfs/dbraw/zinc/67/47/82/1017674782.db2.gz NCCJXGHYXMSJEY-UONOGXRCSA-N 1 2 331.485 3.691 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)cs1 ZINC000177400407 1017674789 /nfs/dbraw/zinc/67/47/89/1017674789.db2.gz NCCJXGHYXMSJEY-UONOGXRCSA-N 1 2 331.485 3.691 20 0 EHADLO CCC[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613668856 1017711385 /nfs/dbraw/zinc/71/13/85/1017711385.db2.gz DOPDQOYILDIKNC-JKSUJKDBSA-N 1 2 331.847 3.551 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)c(OC[C@H]2CCOC2)c1 ZINC000091735339 1032720374 /nfs/dbraw/zinc/72/03/74/1032720374.db2.gz NPHVCPGIMDYKAC-GJZGRUSLSA-N 1 2 332.469 3.718 20 0 EHADLO CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000340442411 1017828374 /nfs/dbraw/zinc/82/83/74/1017828374.db2.gz ABRCSNRJFGQCSE-FQEVSTJZSA-N 1 2 334.419 3.866 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)[nH]1 ZINC000547977746 1017879251 /nfs/dbraw/zinc/87/92/51/1017879251.db2.gz GXPAFKYJBSGBPL-NOZJJQNGSA-N 1 2 339.365 3.509 20 0 EHADLO CO[C@H](CC(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000415350826 1017923472 /nfs/dbraw/zinc/92/34/72/1017923472.db2.gz IGTNRAGFCINZKQ-GOSISDBHSA-N 1 2 339.439 3.601 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000606506829 1032731591 /nfs/dbraw/zinc/73/15/91/1032731591.db2.gz VBRHPKSWIIBRBG-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO C[C@H]([NH2+]Cc1nccn1C)c1cc2cc(Br)ccc2o1 ZINC000071272999 1017963533 /nfs/dbraw/zinc/96/35/33/1017963533.db2.gz UKPYWGHNPXFYOE-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000066792842 1017972995 /nfs/dbraw/zinc/97/29/95/1017972995.db2.gz OTBHQNWWXQVCFP-SFHVURJKSA-N 1 2 339.483 3.596 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000066792842 1017973004 /nfs/dbraw/zinc/97/30/04/1017973004.db2.gz OTBHQNWWXQVCFP-SFHVURJKSA-N 1 2 339.483 3.596 20 0 EHADLO CC[N@@H+](Cc1cnc(C2CCCCC2)s1)C[C@@H](O)C(F)(F)F ZINC000547989343 1017982653 /nfs/dbraw/zinc/98/26/53/1017982653.db2.gz WWTRWPVRGKGBGO-CYBMUJFWSA-N 1 2 336.423 3.936 20 0 EHADLO CC[N@H+](Cc1cnc(C2CCCCC2)s1)C[C@@H](O)C(F)(F)F ZINC000547989343 1017982667 /nfs/dbraw/zinc/98/26/67/1017982667.db2.gz WWTRWPVRGKGBGO-CYBMUJFWSA-N 1 2 336.423 3.936 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273850 1018089011 /nfs/dbraw/zinc/08/90/11/1018089011.db2.gz ZNWZPYLWADDHKN-QGZVFWFLSA-N 1 2 341.455 3.883 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273850 1018089023 /nfs/dbraw/zinc/08/90/23/1018089023.db2.gz ZNWZPYLWADDHKN-QGZVFWFLSA-N 1 2 341.455 3.883 20 0 EHADLO Brc1cncc(C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000574169551 1032746550 /nfs/dbraw/zinc/74/65/50/1032746550.db2.gz JJKBVNPGOHWIQJ-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cncc(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000574169551 1032746580 /nfs/dbraw/zinc/74/65/80/1032746580.db2.gz JJKBVNPGOHWIQJ-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO CC1(c2ccccc2)CCC([NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000340523630 1018207567 /nfs/dbraw/zinc/20/75/67/1018207567.db2.gz HBIGSYAWBDFTBJ-OBXNSHGQSA-N 1 2 347.466 3.779 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000644720850 1018246128 /nfs/dbraw/zinc/24/61/28/1018246128.db2.gz VAOLSFMNVHBJEA-UHFFFAOYSA-N 1 2 332.407 3.765 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC(Oc3ncccc3C)CC2)n1 ZINC000377722600 1018262454 /nfs/dbraw/zinc/26/24/54/1018262454.db2.gz MERZNMWECGTBLY-OAHLLOKOSA-N 1 2 344.459 3.720 20 0 EHADLO Clc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000683747478 1018291776 /nfs/dbraw/zinc/29/17/76/1018291776.db2.gz HMBSFNXPRGLARB-NSHDSACASA-N 1 2 341.640 3.536 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000510312349 1018303886 /nfs/dbraw/zinc/30/38/86/1018303886.db2.gz CJJGRKICQCMZNB-CYBMUJFWSA-N 1 2 348.384 3.865 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000510312349 1018303902 /nfs/dbraw/zinc/30/39/02/1018303902.db2.gz CJJGRKICQCMZNB-CYBMUJFWSA-N 1 2 348.384 3.865 20 0 EHADLO CCC[C@@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OCC ZINC000610341840 1018333376 /nfs/dbraw/zinc/33/33/76/1018333376.db2.gz AKSJWBAYHWHLRD-OAHLLOKOSA-N 1 2 342.277 3.703 20 0 EHADLO Cc1cnn([C@H]2CC[N@H+](Cc3csc(Cc4ccccc4)n3)C2)c1 ZINC000377768623 1018340859 /nfs/dbraw/zinc/34/08/59/1018340859.db2.gz RPPASSBRNLCCLT-SFHVURJKSA-N 1 2 338.480 3.686 20 0 EHADLO Cc1cnn([C@H]2CC[N@@H+](Cc3csc(Cc4ccccc4)n3)C2)c1 ZINC000377768623 1018340870 /nfs/dbraw/zinc/34/08/70/1018340870.db2.gz RPPASSBRNLCCLT-SFHVURJKSA-N 1 2 338.480 3.686 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)co2)cc1 ZINC000377777408 1018349334 /nfs/dbraw/zinc/34/93/34/1018349334.db2.gz LMUAOQXLBOCLPK-INIZCTEOSA-N 1 2 346.793 3.778 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)co2)cc1 ZINC000377777408 1018349340 /nfs/dbraw/zinc/34/93/40/1018349340.db2.gz LMUAOQXLBOCLPK-INIZCTEOSA-N 1 2 346.793 3.778 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1C(F)F ZINC001125407683 1018353207 /nfs/dbraw/zinc/35/32/07/1018353207.db2.gz JICFQLJBQATILJ-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO COc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1F ZINC000340562609 1018477939 /nfs/dbraw/zinc/47/79/39/1018477939.db2.gz SBCGUEKJFGJRLB-UHFFFAOYSA-N 1 2 330.281 3.783 20 0 EHADLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000377850529 1018478115 /nfs/dbraw/zinc/47/81/15/1018478115.db2.gz NYQJEZLSQDVDGM-CQSZACIVSA-N 1 2 343.858 3.624 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583367 1032767194 /nfs/dbraw/zinc/76/71/94/1032767194.db2.gz YNRSSCKIYJOLAY-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO COc1ccc([C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C2CC2)cc1 ZINC000606581743 1032767575 /nfs/dbraw/zinc/76/75/75/1032767575.db2.gz OTZIRIGVOWPXCQ-SFHVURJKSA-N 1 2 336.395 3.616 20 0 EHADLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000377889053 1018511506 /nfs/dbraw/zinc/51/15/06/1018511506.db2.gz UEHIYGBOEHHCDH-LLVKDONJSA-N 1 2 344.358 3.784 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(OC(F)F)c1 ZINC000606580918 1032768832 /nfs/dbraw/zinc/76/88/32/1032768832.db2.gz JJYINHNUKVXQNB-NSHDSACASA-N 1 2 346.337 3.818 20 0 EHADLO Cc1cn2cc(NC(=O)c3cnn(CC(C)C)c3C3CC3)ccc2[nH+]1 ZINC000271063416 1018556644 /nfs/dbraw/zinc/55/66/44/1018556644.db2.gz HPVRWUBAZBSSLS-UHFFFAOYSA-N 1 2 337.427 3.625 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000291378445 1018563184 /nfs/dbraw/zinc/56/31/84/1018563184.db2.gz CCWYCMTULPKKPG-UHFFFAOYSA-N 1 2 331.847 3.592 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)o1 ZINC000580065998 1018582179 /nfs/dbraw/zinc/58/21/79/1018582179.db2.gz HKIFMMYVSBRZIE-FHLIZLRMSA-N 1 2 349.434 3.965 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000580081784 1018609282 /nfs/dbraw/zinc/60/92/82/1018609282.db2.gz ZLMMHWNQNAUHSV-GOSISDBHSA-N 1 2 343.377 3.980 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000580081784 1018609292 /nfs/dbraw/zinc/60/92/92/1018609292.db2.gz ZLMMHWNQNAUHSV-GOSISDBHSA-N 1 2 343.377 3.980 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000580092495 1018633497 /nfs/dbraw/zinc/63/34/97/1018633497.db2.gz ICVXRKSLINYGES-MAUKXSAKSA-N 1 2 325.456 3.904 20 0 EHADLO Cc1ccc([C@@H]2CCCCCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000606650043 1032780024 /nfs/dbraw/zinc/78/00/24/1032780024.db2.gz WTMZCDFOEBVVQI-KRWDZBQOSA-N 1 2 344.459 3.892 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1CF ZINC000580154092 1018717491 /nfs/dbraw/zinc/71/74/91/1018717491.db2.gz AAQIQBATRLNPIA-CQSZACIVSA-N 1 2 330.403 3.654 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]1CF ZINC000580154092 1018717500 /nfs/dbraw/zinc/71/75/00/1018717500.db2.gz AAQIQBATRLNPIA-CQSZACIVSA-N 1 2 330.403 3.654 20 0 EHADLO C[C@H](CC1CCCC1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116644250 1032786459 /nfs/dbraw/zinc/78/64/59/1032786459.db2.gz KKZCNOJQQNZSMZ-MRXNPFEDSA-N 1 2 330.472 3.674 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC000047406044 1018885375 /nfs/dbraw/zinc/88/53/75/1018885375.db2.gz PEAOAUAMTIWOCA-LJQANCHMSA-N 1 2 340.373 3.526 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC000047406044 1018885391 /nfs/dbraw/zinc/88/53/91/1018885391.db2.gz PEAOAUAMTIWOCA-LJQANCHMSA-N 1 2 340.373 3.526 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@@H]1C1CCC1)Nc1ccc(F)cc1Cl ZINC000419374079 1018972731 /nfs/dbraw/zinc/97/27/31/1018972731.db2.gz NSIBCQRVHWINDE-OAHLLOKOSA-N 1 2 342.867 3.635 20 0 EHADLO O=C(C[N@H+]1CCSC[C@@H]1C1CCC1)Nc1ccc(F)cc1Cl ZINC000419374079 1018972743 /nfs/dbraw/zinc/97/27/43/1018972743.db2.gz NSIBCQRVHWINDE-OAHLLOKOSA-N 1 2 342.867 3.635 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000528773887 1032803380 /nfs/dbraw/zinc/80/33/80/1032803380.db2.gz SCHPUAKDNYKJGI-VIFPVBQESA-N 1 2 344.203 3.945 20 0 EHADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000528773887 1032803391 /nfs/dbraw/zinc/80/33/91/1032803391.db2.gz SCHPUAKDNYKJGI-VIFPVBQESA-N 1 2 344.203 3.945 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)sc1C ZINC000052534849 1019069262 /nfs/dbraw/zinc/06/92/62/1019069262.db2.gz UFBJENRBJZAJOY-UHFFFAOYSA-N 1 2 335.498 3.679 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)sc1C ZINC000052534849 1019069275 /nfs/dbraw/zinc/06/92/75/1019069275.db2.gz UFBJENRBJZAJOY-UHFFFAOYSA-N 1 2 335.498 3.679 20 0 EHADLO CSCc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000894182140 1019077241 /nfs/dbraw/zinc/07/72/41/1019077241.db2.gz GRMAKZVWMKVMMF-UHFFFAOYSA-N 1 2 336.888 3.593 20 0 EHADLO CSCc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000894182140 1019077294 /nfs/dbraw/zinc/07/72/94/1019077294.db2.gz GRMAKZVWMKVMMF-UHFFFAOYSA-N 1 2 336.888 3.593 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000683889285 1019101614 /nfs/dbraw/zinc/10/16/14/1019101614.db2.gz DXRPNDYBXKFUQV-IAGOWNOFSA-N 1 2 344.282 3.806 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000683889285 1019101605 /nfs/dbraw/zinc/10/16/05/1019101605.db2.gz DXRPNDYBXKFUQV-IAGOWNOFSA-N 1 2 344.282 3.806 20 0 EHADLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000897576441 1032808164 /nfs/dbraw/zinc/80/81/64/1032808164.db2.gz FSTRGGMXSZJMBE-NSHDSACASA-N 1 2 341.789 3.764 20 0 EHADLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000897576441 1032808176 /nfs/dbraw/zinc/80/81/76/1032808176.db2.gz FSTRGGMXSZJMBE-NSHDSACASA-N 1 2 341.789 3.764 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)cc1 ZINC000528779510 1032810321 /nfs/dbraw/zinc/81/03/21/1032810321.db2.gz AKZCBXGSTVPLCN-DGGJZMOXSA-N 1 2 346.521 3.604 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)cc1 ZINC000528779510 1032810336 /nfs/dbraw/zinc/81/03/36/1032810336.db2.gz AKZCBXGSTVPLCN-DGGJZMOXSA-N 1 2 346.521 3.604 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000894204687 1019155943 /nfs/dbraw/zinc/15/59/43/1019155943.db2.gz SDKRCVUVDSDNIZ-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO c1nc2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363865 1019187722 /nfs/dbraw/zinc/18/77/22/1019187722.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 2 346.478 3.661 20 0 EHADLO c1nc2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363865 1019187729 /nfs/dbraw/zinc/18/77/29/1019187729.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 2 346.478 3.661 20 0 EHADLO c1nc2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363865 1019187739 /nfs/dbraw/zinc/18/77/39/1019187739.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 2 346.478 3.661 20 0 EHADLO C[C@H](c1cccc(NC(=S)Nc2ccccc2)c1)[NH+]1CCOCC1 ZINC000729163749 1019213162 /nfs/dbraw/zinc/21/31/62/1019213162.db2.gz QOGFODUDNFOTAM-OAHLLOKOSA-N 1 2 341.480 3.889 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000580385947 1019240901 /nfs/dbraw/zinc/24/09/01/1019240901.db2.gz OZDMHRXLBNUWNH-GFCCVEGCSA-N 1 2 346.843 3.536 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000729251194 1019248928 /nfs/dbraw/zinc/24/89/28/1019248928.db2.gz NUJSWCGDESELQI-LLYBFZRZSA-N 1 2 344.455 3.806 20 0 EHADLO C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729340425 1019298069 /nfs/dbraw/zinc/29/80/69/1019298069.db2.gz GBWLIDMMGYAQOE-XJKSGUPXSA-N 1 2 349.862 3.535 20 0 EHADLO Brc1ccc2oc(Nc3ccn4cc[nH+]c4c3)nc2c1 ZINC001204951258 1019305603 /nfs/dbraw/zinc/30/56/03/1019305603.db2.gz PSOIPWGHRJGXNZ-UHFFFAOYSA-N 1 2 329.157 3.982 20 0 EHADLO CC(C)(C)c1ncc(CNc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000283812263 1019312856 /nfs/dbraw/zinc/31/28/56/1019312856.db2.gz IZFXHJODGPZIRT-UHFFFAOYSA-N 1 2 325.460 3.772 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1(C2CCCCC2)CC1 ZINC000891276840 1019320332 /nfs/dbraw/zinc/32/03/32/1019320332.db2.gz UKSYURVEIXBTKY-UHFFFAOYSA-N 1 2 337.467 3.703 20 0 EHADLO CCc1csc(CC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)n1 ZINC000656213910 1019332709 /nfs/dbraw/zinc/33/27/09/1019332709.db2.gz IGUYAPWYCLJZSQ-UHFFFAOYSA-N 1 2 343.500 3.529 20 0 EHADLO CCc1csc(CC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)n1 ZINC000656213910 1019332725 /nfs/dbraw/zinc/33/27/25/1019332725.db2.gz IGUYAPWYCLJZSQ-UHFFFAOYSA-N 1 2 343.500 3.529 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccccc1 ZINC000078364333 1019369493 /nfs/dbraw/zinc/36/94/93/1019369493.db2.gz NOWUYVYTLBGHFQ-IRXDYDNUSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000340690813 1019377353 /nfs/dbraw/zinc/37/73/53/1019377353.db2.gz IJMNNNDTMZYDQW-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000340690813 1019377370 /nfs/dbraw/zinc/37/73/70/1019377370.db2.gz IJMNNNDTMZYDQW-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000548097221 1019394134 /nfs/dbraw/zinc/39/41/34/1019394134.db2.gz IBWLZMPQEOKIGA-UWVGGRQHSA-N 1 2 337.395 3.510 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC3(CCCC3)CC1)C2 ZINC000476082178 1032828887 /nfs/dbraw/zinc/82/88/87/1032828887.db2.gz XBMCUTHOTKQUAO-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC3(CCCC3)CC1)CC2 ZINC000476082178 1032828905 /nfs/dbraw/zinc/82/89/05/1032828905.db2.gz XBMCUTHOTKQUAO-HNNXBMFYSA-N 1 2 329.488 3.821 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2OC2CCCC2)CC[S@@]1=O ZINC000449573955 1032830210 /nfs/dbraw/zinc/83/02/10/1032830210.db2.gz UVWLFTRMZUOMKQ-QHCPKHFHSA-N 1 2 335.513 3.741 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2OC2CCCC2)CC[S@@]1=O ZINC000449573955 1032830226 /nfs/dbraw/zinc/83/02/26/1032830226.db2.gz UVWLFTRMZUOMKQ-QHCPKHFHSA-N 1 2 335.513 3.741 20 0 EHADLO c1nc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)oc1C1CC1 ZINC000340697736 1019438331 /nfs/dbraw/zinc/43/83/31/1019438331.db2.gz RGBJVOMOHPBISG-GOSISDBHSA-N 1 2 326.440 3.776 20 0 EHADLO c1nc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)oc1C1CC1 ZINC000340697736 1019438340 /nfs/dbraw/zinc/43/83/40/1019438340.db2.gz RGBJVOMOHPBISG-GOSISDBHSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1nc(N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c2c([nH+]1)CCCC2 ZINC000656229714 1019447749 /nfs/dbraw/zinc/44/77/49/1019447749.db2.gz ZHSIORARIVRDSA-RISCZKNCSA-N 1 2 329.366 3.576 20 0 EHADLO O=C(/C=C\c1cnc2ccccc2n1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000255559658 1019504692 /nfs/dbraw/zinc/50/46/92/1019504692.db2.gz DZKKTIRFDNWTAU-KTKRTIGZSA-N 1 2 341.374 3.672 20 0 EHADLO CCCOc1c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cccc1OCC ZINC000449575045 1032835602 /nfs/dbraw/zinc/83/56/02/1032835602.db2.gz WTPIJBPPKYSOJO-GOEBONIOSA-N 1 2 329.444 3.866 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513415534 1019646695 /nfs/dbraw/zinc/64/66/95/1019646695.db2.gz JZJYPGYIKHCYEO-BRSBDYLESA-N 1 2 329.488 3.581 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433803347 1019647009 /nfs/dbraw/zinc/64/70/09/1019647009.db2.gz CQRMBHVYPCUQEN-LBPRGKRZSA-N 1 2 339.361 3.542 20 0 EHADLO COC(=O)[C@H]([NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513458043 1019695384 /nfs/dbraw/zinc/69/53/84/1019695384.db2.gz NAOGFLNBJSHJGD-CQSZACIVSA-N 1 2 329.362 3.524 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000119239719 1019755860 /nfs/dbraw/zinc/75/58/60/1019755860.db2.gz ISGAZLYQVLNBBO-IBGZPJMESA-N 1 2 340.471 3.796 20 0 EHADLO Fc1ccc([C@@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000449584279 1032851453 /nfs/dbraw/zinc/85/14/53/1032851453.db2.gz CMCJUCMHRZFZRW-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CCO1 ZINC001167429382 1019829552 /nfs/dbraw/zinc/82/95/52/1019829552.db2.gz JCFSQNCTFSJINV-IBGZPJMESA-N 1 2 347.842 3.980 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CCO1 ZINC001167429382 1019829572 /nfs/dbraw/zinc/82/95/72/1019829572.db2.gz JCFSQNCTFSJINV-IBGZPJMESA-N 1 2 347.842 3.980 20 0 EHADLO C[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047985563 1019837855 /nfs/dbraw/zinc/83/78/55/1019837855.db2.gz WUEORRBLDMHCSI-QGZVFWFLSA-N 1 2 348.450 3.534 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)C2 ZINC000656275655 1019885438 /nfs/dbraw/zinc/88/54/38/1019885438.db2.gz RZTZAFFNQANGFM-UHFFFAOYSA-N 1 2 335.350 3.821 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C2 ZINC000656275655 1019885453 /nfs/dbraw/zinc/88/54/53/1019885453.db2.gz RZTZAFFNQANGFM-UHFFFAOYSA-N 1 2 335.350 3.821 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCSc2ccc(C)cc2)c1C ZINC000050449165 1019929901 /nfs/dbraw/zinc/92/99/01/1019929901.db2.gz RORCHMOCQOAJBF-UHFFFAOYSA-N 1 2 344.480 3.814 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)c1ccccc1 ZINC000247298252 1019966740 /nfs/dbraw/zinc/96/67/40/1019966740.db2.gz URKVQYMQPJIXJY-APWZRJJASA-N 1 2 340.492 3.654 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)c1ccccc1 ZINC000247298252 1019966750 /nfs/dbraw/zinc/96/67/50/1019966750.db2.gz URKVQYMQPJIXJY-APWZRJJASA-N 1 2 340.492 3.654 20 0 EHADLO C[C@H]1CCCC[C@H]1OCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160622173 1019982063 /nfs/dbraw/zinc/98/20/63/1019982063.db2.gz LPGRGCBYEWGKCY-DZGCQCFKSA-N 1 2 331.464 3.589 20 0 EHADLO COc1cc(C)nc(C[N@H+](C)Cc2cc(Br)cs2)c1 ZINC000339843034 1020034347 /nfs/dbraw/zinc/03/43/47/1020034347.db2.gz RTFMATYAENOCSC-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1cc(C)nc(C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000339843034 1020034350 /nfs/dbraw/zinc/03/43/50/1020034350.db2.gz RTFMATYAENOCSC-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)c(C)c1 ZINC000280121756 1020075749 /nfs/dbraw/zinc/07/57/49/1020075749.db2.gz SDIGYHSKHURKSE-QGZVFWFLSA-N 1 2 346.434 3.514 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000574272662 1032874596 /nfs/dbraw/zinc/87/45/96/1032874596.db2.gz NPTSQWCAHVZIRV-BFYDXBDKSA-N 1 2 334.464 3.687 20 0 EHADLO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000574272662 1032874612 /nfs/dbraw/zinc/87/46/12/1032874612.db2.gz NPTSQWCAHVZIRV-BFYDXBDKSA-N 1 2 334.464 3.687 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000255831014 1020136067 /nfs/dbraw/zinc/13/60/67/1020136067.db2.gz HYNKDFQFHCFUJC-IMBIPOBTSA-N 1 2 335.407 3.752 20 0 EHADLO Cc1nc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc(C)c1CC(C)C ZINC000345307236 1020144093 /nfs/dbraw/zinc/14/40/93/1020144093.db2.gz MJEXKZGJSQUGRS-KDOFPFPSSA-N 1 2 327.476 3.576 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3cscc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000528828890 1032879201 /nfs/dbraw/zinc/87/92/01/1032879201.db2.gz PCFBAWCLFYOFAS-AAEUAGOBSA-N 1 2 331.466 3.883 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(F)cc2Br)o1 ZINC000449612999 1032881602 /nfs/dbraw/zinc/88/16/02/1032881602.db2.gz QBALHANYRZBWMF-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000580894200 1020196984 /nfs/dbraw/zinc/19/69/84/1020196984.db2.gz ANOMCXJAARZMQH-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000528833536 1032884825 /nfs/dbraw/zinc/88/48/25/1032884825.db2.gz YQNSFGPFHSGTJF-VHSXEESVSA-N 1 2 339.773 3.691 20 0 EHADLO C[C@H]1CCC[C@@H]1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345417802 1020231856 /nfs/dbraw/zinc/23/18/56/1020231856.db2.gz QDACITBKHABBMC-DOTOQJQBSA-N 1 2 329.488 3.752 20 0 EHADLO CC1(C)C(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1(C)C ZINC000345419903 1020233989 /nfs/dbraw/zinc/23/39/89/1020233989.db2.gz CMYIDIYWNHWUOR-UHFFFAOYSA-N 1 2 329.488 3.608 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1OC(F)(F)F ZINC000280267042 1020234142 /nfs/dbraw/zinc/23/41/42/1020234142.db2.gz MFQAAIQXUOYIHP-CQSZACIVSA-N 1 2 347.283 3.687 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155924882 1020266629 /nfs/dbraw/zinc/26/66/29/1020266629.db2.gz GKAXCSPGPYOOTC-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC1(C)CC1 ZINC000280343814 1020302912 /nfs/dbraw/zinc/30/29/12/1020302912.db2.gz KBMPBYKSHKURLO-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cscn1)C2 ZINC000933045710 1020310587 /nfs/dbraw/zinc/31/05/87/1020310587.db2.gz TUPYXDMNROVWHP-KRWDZBQOSA-N 1 2 337.489 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cscn1)C2 ZINC000933045710 1020310591 /nfs/dbraw/zinc/31/05/91/1020310591.db2.gz TUPYXDMNROVWHP-KRWDZBQOSA-N 1 2 337.489 3.509 20 0 EHADLO CCC(C)(C)[C@H]1CCc2nc(NC(=O)Cn3cc[nH+]c3)sc2C1 ZINC000345485331 1020311495 /nfs/dbraw/zinc/31/14/95/1020311495.db2.gz FWFIXOOAASZZGO-LBPRGKRZSA-N 1 2 332.473 3.519 20 0 EHADLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000280362411 1020322803 /nfs/dbraw/zinc/32/28/03/1020322803.db2.gz URXGLHKULUFJDV-RVKKMQEKSA-N 1 2 348.512 3.630 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280363062 1020322850 /nfs/dbraw/zinc/32/28/50/1020322850.db2.gz JVEMCPZKKUGFSI-KDOFPFPSSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280363062 1020322868 /nfs/dbraw/zinc/32/28/68/1020322868.db2.gz JVEMCPZKKUGFSI-KDOFPFPSSA-N 1 2 339.863 3.507 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)nc2ccccc12 ZINC000280370236 1020329750 /nfs/dbraw/zinc/32/97/50/1020329750.db2.gz KJQVFHGACBDIAC-DJJJIMSYSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)nc2ccccc12 ZINC000280370236 1020329757 /nfs/dbraw/zinc/32/97/57/1020329757.db2.gz KJQVFHGACBDIAC-DJJJIMSYSA-N 1 2 346.858 3.576 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143387365 1020363442 /nfs/dbraw/zinc/36/34/42/1020363442.db2.gz FZRIXDRGQFNSSW-NXEZZACHSA-N 1 2 327.268 3.553 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001143387365 1020363454 /nfs/dbraw/zinc/36/34/54/1020363454.db2.gz FZRIXDRGQFNSSW-NXEZZACHSA-N 1 2 327.268 3.553 20 0 EHADLO CCCC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000345586170 1020376323 /nfs/dbraw/zinc/37/63/23/1020376323.db2.gz DVMHYSZHJZLEHV-UHFFFAOYSA-N 1 2 325.456 3.561 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000602447764 1032896639 /nfs/dbraw/zinc/89/66/39/1032896639.db2.gz XTNRXKOULHTIOU-PKOBYXMFSA-N 1 2 338.455 3.689 20 0 EHADLO COc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)cc1C ZINC000280421904 1020378252 /nfs/dbraw/zinc/37/82/52/1020378252.db2.gz DEPXDCKEBASARF-SUMWQHHRSA-N 1 2 342.443 3.624 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000345593732 1020380523 /nfs/dbraw/zinc/38/05/23/1020380523.db2.gz HMTJEXBAFBJDKJ-ZACQAIPSSA-N 1 2 330.472 3.845 20 0 EHADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000345633261 1020405378 /nfs/dbraw/zinc/40/53/78/1020405378.db2.gz CRVVVFNYPCDUIZ-FYMRZPMTSA-N 1 2 327.472 3.504 20 0 EHADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000345633262 1020406333 /nfs/dbraw/zinc/40/63/33/1020406333.db2.gz CRVVVFNYPCDUIZ-OCABNYQQSA-N 1 2 327.472 3.504 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000345636234 1020408165 /nfs/dbraw/zinc/40/81/65/1020408165.db2.gz GJZMCGWRMJNHHE-UHFFFAOYSA-N 1 2 333.435 3.599 20 0 EHADLO CCO[C@H](C)c1nc(CN(C)Cc2c[nH+]c3ccc(C)cn23)cs1 ZINC000093737648 1032902025 /nfs/dbraw/zinc/90/20/25/1032902025.db2.gz FWBHIQZVUHOHGE-CQSZACIVSA-N 1 2 344.484 3.829 20 0 EHADLO CCOC(=O)C1([N@H+](C)Cc2ccc(C(F)F)nc2)CCCCC1 ZINC000602477606 1032908729 /nfs/dbraw/zinc/90/87/29/1032908729.db2.gz UAVAVOODUDVUDX-UHFFFAOYSA-N 1 2 326.387 3.717 20 0 EHADLO CCOC(=O)C1([N@@H+](C)Cc2ccc(C(F)F)nc2)CCCCC1 ZINC000602477606 1032908741 /nfs/dbraw/zinc/90/87/41/1032908741.db2.gz UAVAVOODUDVUDX-UHFFFAOYSA-N 1 2 326.387 3.717 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000581284657 1020638217 /nfs/dbraw/zinc/63/82/17/1020638217.db2.gz PCYPKODJLMNLEU-HPBDAGMYSA-N 1 2 341.455 3.935 20 0 EHADLO CCC[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000581284657 1020638223 /nfs/dbraw/zinc/63/82/23/1020638223.db2.gz PCYPKODJLMNLEU-HPBDAGMYSA-N 1 2 341.455 3.935 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276139255 1020702162 /nfs/dbraw/zinc/70/21/62/1020702162.db2.gz CCFUPKNEDMMMHK-UHFFFAOYSA-N 1 2 334.341 3.594 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCCOc3ccccc3F)cc2[nH+]1 ZINC000340971128 1020710596 /nfs/dbraw/zinc/71/05/96/1020710596.db2.gz KFJPSBKMEXYYKU-UHFFFAOYSA-N 1 2 327.359 3.808 20 0 EHADLO CC[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC1(C)C ZINC000419566116 1020718635 /nfs/dbraw/zinc/71/86/35/1020718635.db2.gz OTZMSKHOMXMDRZ-HUUCEWRRSA-N 1 2 333.476 3.673 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000684209445 1020751749 /nfs/dbraw/zinc/75/17/49/1020751749.db2.gz BKHLPVYQKSJJCE-DGCLKSJQSA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000684209445 1020751753 /nfs/dbraw/zinc/75/17/53/1020751753.db2.gz BKHLPVYQKSJJCE-DGCLKSJQSA-N 1 2 325.334 3.818 20 0 EHADLO CC1(C)CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000341024167 1020875552 /nfs/dbraw/zinc/87/55/52/1020875552.db2.gz WFMVRZFYOPTNBD-UHFFFAOYSA-N 1 2 344.434 3.779 20 0 EHADLO Cc1cc2c(s1)N(c1cnc3n[nH]nc3c1)c1ccccc1NC2=[NH2+] ZINC001167463167 1020917897 /nfs/dbraw/zinc/91/78/97/1020917897.db2.gz CTZAFLVNPQYFMD-UHFFFAOYSA-N 1 2 347.407 3.543 20 0 EHADLO O=C(NC1(C(F)F)CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000341129667 1020999259 /nfs/dbraw/zinc/99/92/59/1020999259.db2.gz QMRPKXYGKCDRAW-UHFFFAOYSA-N 1 2 333.382 3.629 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341155757 1021024672 /nfs/dbraw/zinc/02/46/72/1021024672.db2.gz YEVZYXQZLFBNKM-SOLBZPMBSA-N 1 2 345.487 3.702 20 0 EHADLO CC[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341155757 1021024678 /nfs/dbraw/zinc/02/46/78/1021024678.db2.gz YEVZYXQZLFBNKM-SOLBZPMBSA-N 1 2 345.487 3.702 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000341159595 1021027563 /nfs/dbraw/zinc/02/75/63/1021027563.db2.gz FFTQABQQXAQZJN-AWEZNQCLSA-N 1 2 334.441 3.834 20 0 EHADLO CC(C)C1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000073566155 1021065767 /nfs/dbraw/zinc/06/57/67/1021065767.db2.gz OEWBPHQCLCYQTE-UHFFFAOYSA-N 1 2 340.471 3.509 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)c1 ZINC000341204899 1021093692 /nfs/dbraw/zinc/09/36/92/1021093692.db2.gz GBTUKFNIDDBKKP-GFCCVEGCSA-N 1 2 349.390 3.941 20 0 EHADLO Nc1nc(N2CCn3c(cc4c3cccc4Cl)C2)[nH+]c2ccccc12 ZINC000581587142 1021118552 /nfs/dbraw/zinc/11/85/52/1021118552.db2.gz VLTYOYOCMVEOHT-UHFFFAOYSA-N 1 2 349.825 3.671 20 0 EHADLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)C2CC2)o1 ZINC000341217600 1021118943 /nfs/dbraw/zinc/11/89/43/1021118943.db2.gz YGYYXCOUKVRBDJ-CYBMUJFWSA-N 1 2 348.393 3.708 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000341222672 1021125260 /nfs/dbraw/zinc/12/52/60/1021125260.db2.gz YWKWQMRFJSGGEQ-LLVKDONJSA-N 1 2 342.468 3.750 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1)c1cc2ccccc2o1 ZINC000656682184 1021163050 /nfs/dbraw/zinc/16/30/50/1021163050.db2.gz QUUNWGWFEUEMOY-XQQFMLRXSA-N 1 2 343.452 3.806 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244886 1021170208 /nfs/dbraw/zinc/17/02/08/1021170208.db2.gz XJACEHPONJVMHW-GOSISDBHSA-N 1 2 329.488 3.872 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C[C@H](C)S1 ZINC000075893651 1021191425 /nfs/dbraw/zinc/19/14/25/1021191425.db2.gz GWCZIZOZVJLGKO-PHIMTYICSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC(F)F)C[C@H](C)S1 ZINC000075893651 1021191434 /nfs/dbraw/zinc/19/14/34/1021191434.db2.gz GWCZIZOZVJLGKO-PHIMTYICSA-N 1 2 346.468 3.766 20 0 EHADLO C[C@H](CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)n1cc[nH+]c1 ZINC000519600609 1021205349 /nfs/dbraw/zinc/20/53/49/1021205349.db2.gz BYWOCPVZTKOSDE-GFCCVEGCSA-N 1 2 343.324 3.564 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(-n2cncn2)cc1Cl ZINC000516248214 1021226802 /nfs/dbraw/zinc/22/68/02/1021226802.db2.gz TVLXJPWDOFYLQT-LLVKDONJSA-N 1 2 343.818 3.637 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000894839074 1021237484 /nfs/dbraw/zinc/23/74/84/1021237484.db2.gz QAIYXBRZSACSTH-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000894839074 1021237499 /nfs/dbraw/zinc/23/74/99/1021237499.db2.gz QAIYXBRZSACSTH-MEDUHNTESA-N 1 2 340.345 3.964 20 0 EHADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636870 1032969733 /nfs/dbraw/zinc/96/97/33/1032969733.db2.gz XNMLEXOLJHJNLO-MNOVXSKESA-N 1 2 325.321 3.757 20 0 EHADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000449636870 1032969742 /nfs/dbraw/zinc/96/97/42/1032969742.db2.gz XNMLEXOLJHJNLO-MNOVXSKESA-N 1 2 325.321 3.757 20 0 EHADLO c1ccc(CO[C@@H]2CCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342667657 1021349607 /nfs/dbraw/zinc/34/96/07/1021349607.db2.gz BMJPBYCFQMUMFY-ZWKOTPCHSA-N 1 2 338.455 3.627 20 0 EHADLO c1ccc(CO[C@@H]2CCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342667657 1021349617 /nfs/dbraw/zinc/34/96/17/1021349617.db2.gz BMJPBYCFQMUMFY-ZWKOTPCHSA-N 1 2 338.455 3.627 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000664870919 1021352014 /nfs/dbraw/zinc/35/20/14/1021352014.db2.gz GJJIIRIHRDYFEB-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000664870919 1021352031 /nfs/dbraw/zinc/35/20/31/1021352031.db2.gz GJJIIRIHRDYFEB-UHFFFAOYSA-N 1 2 340.402 3.788 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000507576907 1021357437 /nfs/dbraw/zinc/35/74/37/1021357437.db2.gz FGQZEAVPGPGKJF-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872849 1021370458 /nfs/dbraw/zinc/37/04/58/1021370458.db2.gz XQPSEDOQNGSYNH-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664872849 1021370475 /nfs/dbraw/zinc/37/04/75/1021370475.db2.gz XQPSEDOQNGSYNH-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000366657485 1021401512 /nfs/dbraw/zinc/40/15/12/1021401512.db2.gz UWFFRNDUUWPNQB-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(Sc2ccccn2)o1 ZINC000507651237 1021418559 /nfs/dbraw/zinc/41/85/59/1021418559.db2.gz DGDCLHJQTCPZRY-UHFFFAOYSA-N 1 2 347.484 3.564 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(Sc2ccccn2)o1 ZINC000507651237 1021418565 /nfs/dbraw/zinc/41/85/65/1021418565.db2.gz DGDCLHJQTCPZRY-UHFFFAOYSA-N 1 2 347.484 3.564 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3sccc3c2)c1C ZINC000760471474 1032977801 /nfs/dbraw/zinc/97/78/01/1032977801.db2.gz QOPLJRJPDSJTJC-UHFFFAOYSA-N 1 2 326.421 3.852 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cnn1C(C)(C)C ZINC000276475360 1021444591 /nfs/dbraw/zinc/44/45/91/1021444591.db2.gz FDZRGSPKDDYICL-BDJLRTHQSA-N 1 2 337.414 3.609 20 0 EHADLO COc1ccc(C[N@H+](CC(=O)c2cccn2C)Cc2ccccc2)cc1 ZINC000505923682 1021469047 /nfs/dbraw/zinc/46/90/47/1021469047.db2.gz XHBRHENOUMCGME-UHFFFAOYSA-N 1 2 348.446 3.919 20 0 EHADLO COc1ccc(C[N@@H+](CC(=O)c2cccn2C)Cc2ccccc2)cc1 ZINC000505923682 1021469055 /nfs/dbraw/zinc/46/90/55/1021469055.db2.gz XHBRHENOUMCGME-UHFFFAOYSA-N 1 2 348.446 3.919 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465457 1021476321 /nfs/dbraw/zinc/47/63/21/1021476321.db2.gz FIHYMJZLIKYXIJ-LSDHHAIUSA-N 1 2 338.879 3.785 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465457 1021476326 /nfs/dbraw/zinc/47/63/26/1021476326.db2.gz FIHYMJZLIKYXIJ-LSDHHAIUSA-N 1 2 338.879 3.785 20 0 EHADLO CNc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000341356386 1021517126 /nfs/dbraw/zinc/51/71/26/1021517126.db2.gz FSIHBJMKTRJARU-ZDUSSCGKSA-N 1 2 344.484 3.669 20 0 EHADLO CNc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000341356386 1021517136 /nfs/dbraw/zinc/51/71/36/1021517136.db2.gz FSIHBJMKTRJARU-ZDUSSCGKSA-N 1 2 344.484 3.669 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)o1)c1nc2c(s1)CCC2 ZINC000437079162 1021530488 /nfs/dbraw/zinc/53/04/88/1021530488.db2.gz SFSNRYNZBJZFHT-QMMMGPOBSA-N 1 2 327.247 3.838 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1nc2c(s1)CCC2 ZINC000437079160 1021531373 /nfs/dbraw/zinc/53/13/73/1021531373.db2.gz SFSNRYNZBJZFHT-MRVPVSSYSA-N 1 2 327.247 3.838 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)c1cccc(Cl)c1F ZINC000509609394 1021552962 /nfs/dbraw/zinc/55/29/62/1021552962.db2.gz PXBJURCGNCJCIQ-UHFFFAOYSA-N 1 2 333.798 3.546 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(-c2c[nH]cn2)cc1 ZINC000894879453 1021570874 /nfs/dbraw/zinc/57/08/74/1021570874.db2.gz XEMLTUSMMSEUSL-UHFFFAOYSA-N 1 2 347.426 3.584 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(F)(F)F)C3CCCC3)[nH+]c12 ZINC000519678907 1021604163 /nfs/dbraw/zinc/60/41/63/1021604163.db2.gz SQLQUJYBPCZGCM-UHFFFAOYSA-N 1 2 339.361 3.519 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1Cl ZINC000426458003 1021630829 /nfs/dbraw/zinc/63/08/29/1021630829.db2.gz HGBORRVFYDKCKT-FZMZJTMJSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1Cl ZINC000426458003 1021630842 /nfs/dbraw/zinc/63/08/42/1021630842.db2.gz HGBORRVFYDKCKT-FZMZJTMJSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@@H+]1CC[C@H]2CCC[C@@H]21)c1cc(Cl)ccc1Cl ZINC000426458005 1021631551 /nfs/dbraw/zinc/63/15/51/1021631551.db2.gz HGBORRVFYDKCKT-RISCZKNCSA-N 1 2 348.295 3.642 20 0 EHADLO O=S(=O)(CC[N@H+]1CC[C@H]2CCC[C@@H]21)c1cc(Cl)ccc1Cl ZINC000426458005 1021631558 /nfs/dbraw/zinc/63/15/58/1021631558.db2.gz HGBORRVFYDKCKT-RISCZKNCSA-N 1 2 348.295 3.642 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2cc(C)c(C)cc2C)c1C ZINC000064997742 1021653666 /nfs/dbraw/zinc/65/36/66/1021653666.db2.gz NNZZCMOTPVHUIN-BQYQJAHWSA-N 1 2 338.451 3.962 20 0 EHADLO Clc1cc(Br)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000684414506 1021677397 /nfs/dbraw/zinc/67/73/97/1021677397.db2.gz KSEHTZAVSXFGJE-NSHDSACASA-N 1 2 330.653 3.571 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC(c2ccco2)CC1 ZINC000617386129 1021709098 /nfs/dbraw/zinc/70/90/98/1021709098.db2.gz WYXCCXWRUAXLPF-SFHVURJKSA-N 1 2 349.434 3.931 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000083248611 1021715447 /nfs/dbraw/zinc/71/54/47/1021715447.db2.gz DMHKSIAAZMIZFT-ZDUSSCGKSA-N 1 2 340.452 3.639 20 0 EHADLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000083248611 1021715459 /nfs/dbraw/zinc/71/54/59/1021715459.db2.gz DMHKSIAAZMIZFT-ZDUSSCGKSA-N 1 2 340.452 3.639 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc(F)cc1C ZINC000891478461 1021721564 /nfs/dbraw/zinc/72/15/64/1021721564.db2.gz XPQUQSLANUXTLB-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc(F)cc1C ZINC000891478461 1021721579 /nfs/dbraw/zinc/72/15/79/1021721579.db2.gz XPQUQSLANUXTLB-UHFFFAOYSA-N 1 2 329.419 3.688 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)nc2ccccc12 ZINC000581767564 1021739895 /nfs/dbraw/zinc/73/98/95/1021739895.db2.gz PRAOULZFMZSUGJ-SFHVURJKSA-N 1 2 341.842 3.757 20 0 EHADLO Cc1nc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)nc2ccccc12 ZINC000581767564 1021739901 /nfs/dbraw/zinc/73/99/01/1021739901.db2.gz PRAOULZFMZSUGJ-SFHVURJKSA-N 1 2 341.842 3.757 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c[nH+]1 ZINC000897621957 1033005301 /nfs/dbraw/zinc/00/53/01/1033005301.db2.gz AJQXSXZUVFKKLU-UHFFFAOYSA-N 1 2 343.858 3.896 20 0 EHADLO C[N@H+](CCOc1ccccc1F)CC(=O)c1c[nH]c2ccccc12 ZINC000140615635 1033007247 /nfs/dbraw/zinc/00/72/47/1033007247.db2.gz DJUKRAFHYCUZPY-UHFFFAOYSA-N 1 2 326.371 3.501 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)CC(=O)c1c[nH]c2ccccc12 ZINC000140615635 1033007262 /nfs/dbraw/zinc/00/72/62/1033007262.db2.gz DJUKRAFHYCUZPY-UHFFFAOYSA-N 1 2 326.371 3.501 20 0 EHADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000581779549 1021776182 /nfs/dbraw/zinc/77/61/82/1021776182.db2.gz PICQHLITIUCUAH-LBPRGKRZSA-N 1 2 339.361 3.591 20 0 EHADLO Cc1cc(N2C[C@@H]3CCC[C@]3(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000341416030 1021798423 /nfs/dbraw/zinc/79/84/23/1021798423.db2.gz ZFJNFJBHAJMQSU-YWZLYKJASA-N 1 2 343.471 3.611 20 0 EHADLO c1csc(C[NH+](Cc2cccs2)Cc2cnc3n2CCOC3)c1 ZINC000891512864 1021803840 /nfs/dbraw/zinc/80/38/40/1021803840.db2.gz YFGUXINJRHFZQB-UHFFFAOYSA-N 1 2 345.493 3.739 20 0 EHADLO Cc1ccc([C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000439906736 1021804628 /nfs/dbraw/zinc/80/46/28/1021804628.db2.gz ZCKUFTSXRCERPG-CTNGQTDRSA-N 1 2 345.446 3.660 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000593698390 1033009444 /nfs/dbraw/zinc/00/94/44/1033009444.db2.gz UFECASSYMSGHHT-HNNXBMFYSA-N 1 2 347.459 3.541 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000593698390 1033009456 /nfs/dbraw/zinc/00/94/56/1033009456.db2.gz UFECASSYMSGHHT-HNNXBMFYSA-N 1 2 347.459 3.541 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CCc5cc(F)ccc54)n3)[nH+]c12 ZINC000664776544 1021838972 /nfs/dbraw/zinc/83/89/72/1021838972.db2.gz CPCFUNNOGAFYBH-QGZVFWFLSA-N 1 2 348.381 3.834 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000440892235 1021849685 /nfs/dbraw/zinc/84/96/85/1021849685.db2.gz SLAUIYXVXRFDQG-AWEZNQCLSA-N 1 2 346.858 3.817 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000440892235 1021849699 /nfs/dbraw/zinc/84/96/99/1021849699.db2.gz SLAUIYXVXRFDQG-AWEZNQCLSA-N 1 2 346.858 3.817 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000440895339 1021851939 /nfs/dbraw/zinc/85/19/39/1021851939.db2.gz YIUNVQOOPULKGX-KXBFYZLASA-N 1 2 338.451 3.999 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000440895339 1021851952 /nfs/dbraw/zinc/85/19/52/1021851952.db2.gz YIUNVQOOPULKGX-KXBFYZLASA-N 1 2 338.451 3.999 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2ncc3ccccc3c2=O)c1C ZINC000172912544 1033014583 /nfs/dbraw/zinc/01/45/83/1033014583.db2.gz GHKDGTRABMTKRV-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2ncc3ccccc3c2=O)c1C ZINC000172912544 1033014598 /nfs/dbraw/zinc/01/45/98/1033014598.db2.gz GHKDGTRABMTKRV-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000341446629 1021923582 /nfs/dbraw/zinc/92/35/82/1021923582.db2.gz AVKHZBVTGOLQRH-SFHVURJKSA-N 1 2 349.434 3.651 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(C(F)(F)F)cc1 ZINC000016624053 1033016375 /nfs/dbraw/zinc/01/63/75/1033016375.db2.gz SNHCATKCICFAEG-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(C(F)(F)F)cc1 ZINC000016624053 1033016391 /nfs/dbraw/zinc/01/63/91/1033016391.db2.gz SNHCATKCICFAEG-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)no1 ZINC000441039889 1021936857 /nfs/dbraw/zinc/93/68/57/1021936857.db2.gz WLJKTIWFCWNQFU-DNVCBOLYSA-N 1 2 349.434 3.869 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)no1 ZINC000441039889 1021936863 /nfs/dbraw/zinc/93/68/63/1021936863.db2.gz WLJKTIWFCWNQFU-DNVCBOLYSA-N 1 2 349.434 3.869 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188221599 1021937776 /nfs/dbraw/zinc/93/77/76/1021937776.db2.gz OVMYSKGSEFMESX-ZWKOTPCHSA-N 1 2 343.377 3.755 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1OC ZINC000341458447 1021951269 /nfs/dbraw/zinc/95/12/69/1021951269.db2.gz CTGWQWKHKWEDHU-GFCCVEGCSA-N 1 2 343.383 3.588 20 0 EHADLO COCCc1noc(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000341462012 1021969684 /nfs/dbraw/zinc/96/96/84/1021969684.db2.gz TULHHBBDKYWATE-OAHLLOKOSA-N 1 2 335.423 3.665 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000506072990 1021972253 /nfs/dbraw/zinc/97/22/53/1021972253.db2.gz ULHIMKYPHXDXAR-UHFFFAOYSA-N 1 2 338.451 3.779 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000517079286 1022011655 /nfs/dbraw/zinc/01/16/55/1022011655.db2.gz GINFTYIEIKPTOY-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO COC(=O)c1coc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)c1 ZINC000341515064 1022034805 /nfs/dbraw/zinc/03/48/05/1022034805.db2.gz UQORSYHCMGSVBI-KRWDZBQOSA-N 1 2 331.437 3.665 20 0 EHADLO COC(=O)c1coc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)c1 ZINC000341515064 1022034824 /nfs/dbraw/zinc/03/48/24/1022034824.db2.gz UQORSYHCMGSVBI-KRWDZBQOSA-N 1 2 331.437 3.665 20 0 EHADLO C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000517108340 1022037019 /nfs/dbraw/zinc/03/70/19/1022037019.db2.gz SLFDKXAZAXSWSD-OAHLLOKOSA-N 1 2 344.434 3.516 20 0 EHADLO C[C@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCc2ccccc21 ZINC000506104874 1022063215 /nfs/dbraw/zinc/06/32/15/1022063215.db2.gz JVDXQTVMJFJJTH-QFIPXVFZSA-N 1 2 345.446 3.913 20 0 EHADLO CCc1cc(N[C@H](c2nccn2C)c2cccc(F)c2)nc(CC)[nH+]1 ZINC000891615328 1022099117 /nfs/dbraw/zinc/09/91/17/1022099117.db2.gz SXPZYTMULFICQS-SFHVURJKSA-N 1 2 339.418 3.676 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000517210446 1022119666 /nfs/dbraw/zinc/11/96/66/1022119666.db2.gz USVFIYZVPBSDTA-FUHWJXTLSA-N 1 2 334.529 3.919 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000517200951 1022126969 /nfs/dbraw/zinc/12/69/69/1022126969.db2.gz IMXMZACLIRAGGQ-UHFFFAOYSA-N 1 2 344.374 3.833 20 0 EHADLO COc1ccc2c(c1)N(Cc1[nH+]cc(C)c(OC)c1C)C[C@H](C)O2 ZINC000441322778 1022151570 /nfs/dbraw/zinc/15/15/70/1022151570.db2.gz HVZRFFMIMXSXIV-ZDUSSCGKSA-N 1 2 328.412 3.503 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1)OC ZINC000437799164 1022151563 /nfs/dbraw/zinc/15/15/63/1022151563.db2.gz VLZJFFGQEVSTSG-MRXNPFEDSA-N 1 2 332.448 3.606 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339094 1022160015 /nfs/dbraw/zinc/16/00/15/1022160015.db2.gz UZDMACKVAXZFRV-SCLBCKFNSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000441339094 1022160022 /nfs/dbraw/zinc/16/00/22/1022160022.db2.gz UZDMACKVAXZFRV-SCLBCKFNSA-N 1 2 330.378 3.986 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000437830385 1022170472 /nfs/dbraw/zinc/17/04/72/1022170472.db2.gz XMYPSXXDWHEKLL-WBVHZDCISA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000437830385 1022170477 /nfs/dbraw/zinc/17/04/77/1022170477.db2.gz XMYPSXXDWHEKLL-WBVHZDCISA-N 1 2 329.444 3.620 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1C1CCCCC1 ZINC000548311213 1022218357 /nfs/dbraw/zinc/21/83/57/1022218357.db2.gz TVVPSLHFDLNHGF-MRXNPFEDSA-N 1 2 340.471 3.551 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000187845978 1022253909 /nfs/dbraw/zinc/25/39/09/1022253909.db2.gz XLSWECPHJDOKAA-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000437910138 1022260461 /nfs/dbraw/zinc/26/04/61/1022260461.db2.gz OQSMPTPHOKACSL-HNNXBMFYSA-N 1 2 345.874 3.695 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000437910138 1022260471 /nfs/dbraw/zinc/26/04/71/1022260471.db2.gz OQSMPTPHOKACSL-HNNXBMFYSA-N 1 2 345.874 3.695 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccccc3F)C(C)C)[nH+]c12 ZINC000617993525 1022260512 /nfs/dbraw/zinc/26/05/12/1022260512.db2.gz SUCWUDKIMGEITG-LJQANCHMSA-N 1 2 339.414 3.838 20 0 EHADLO CC[N@H+](Cc1occc1C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894924830 1022261157 /nfs/dbraw/zinc/26/11/57/1022261157.db2.gz DTAOYJWTXJNFRX-UHFFFAOYSA-N 1 2 346.431 3.747 20 0 EHADLO CC[N@@H+](Cc1occc1C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894924830 1022261165 /nfs/dbraw/zinc/26/11/65/1022261165.db2.gz DTAOYJWTXJNFRX-UHFFFAOYSA-N 1 2 346.431 3.747 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1c(F)cccc1F ZINC000051286107 1022266463 /nfs/dbraw/zinc/26/64/63/1022266463.db2.gz FEVDDILVIXBAJN-CQSZACIVSA-N 1 2 334.391 3.740 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1c(F)cccc1F ZINC000051286107 1022266469 /nfs/dbraw/zinc/26/64/69/1022266469.db2.gz FEVDDILVIXBAJN-CQSZACIVSA-N 1 2 334.391 3.740 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1cc2c(nn1)-c1ccccc1CCC2 ZINC001167991177 1022299714 /nfs/dbraw/zinc/29/97/14/1022299714.db2.gz CAFZGYFRXYWXMV-UHFFFAOYSA-N 1 2 347.397 3.803 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cncc(Br)c2)s1 ZINC000517395173 1022301418 /nfs/dbraw/zinc/30/14/18/1022301418.db2.gz CVSZTXSWNVMCBM-VIFPVBQESA-N 1 2 341.278 3.670 20 0 EHADLO CCc1cc(NCc2nc(-c3ccccn3)cs2)nc(CC)[nH+]1 ZINC000894472332 1022337761 /nfs/dbraw/zinc/33/77/61/1022337761.db2.gz UGEWUKNCTKMEMF-UHFFFAOYSA-N 1 2 325.441 3.732 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000341565148 1022339116 /nfs/dbraw/zinc/33/91/16/1022339116.db2.gz NRKNGUHBBSJPRO-HNNXBMFYSA-N 1 2 330.497 3.571 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000341565148 1022339133 /nfs/dbraw/zinc/33/91/33/1022339133.db2.gz NRKNGUHBBSJPRO-HNNXBMFYSA-N 1 2 330.497 3.571 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C(F)F)c(F)c2)nn1 ZINC000894984769 1022355929 /nfs/dbraw/zinc/35/59/29/1022355929.db2.gz HGJWULGDFYPTHN-UHFFFAOYSA-N 1 2 326.366 3.961 20 0 EHADLO CC(C)[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000581915360 1022363546 /nfs/dbraw/zinc/36/35/46/1022363546.db2.gz YDMOZQSVRZBZOJ-QFIPXVFZSA-N 1 2 347.462 3.987 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000048599069 1022368834 /nfs/dbraw/zinc/36/88/34/1022368834.db2.gz SHTKWMBKYJOUQR-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000048599069 1022368848 /nfs/dbraw/zinc/36/88/48/1022368848.db2.gz SHTKWMBKYJOUQR-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO Fc1ccc(Cn2cc(C[N@@H+]3CCc4ccc(F)cc4C3)cn2)cc1 ZINC000438104776 1022392344 /nfs/dbraw/zinc/39/23/44/1022392344.db2.gz YQIJERXROPWSEC-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Fc1ccc(Cn2cc(C[N@H+]3CCc4ccc(F)cc4C3)cn2)cc1 ZINC000438104776 1022392361 /nfs/dbraw/zinc/39/23/61/1022392361.db2.gz YQIJERXROPWSEC-UHFFFAOYSA-N 1 2 339.389 3.768 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)Cc3cccs3)ccc2[nH+]1 ZINC000438108429 1022395263 /nfs/dbraw/zinc/39/52/63/1022395263.db2.gz KLYBZQYONGYVFR-LBPRGKRZSA-N 1 2 328.441 3.705 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc2c(c1)OCCO2 ZINC000341595648 1022481767 /nfs/dbraw/zinc/48/17/67/1022481767.db2.gz VEWFIBUCJNQGTP-AWEZNQCLSA-N 1 2 330.428 3.984 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639267 1022517683 /nfs/dbraw/zinc/51/76/83/1022517683.db2.gz HCHJVRWXTPPVFY-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000101561212 1022509831 /nfs/dbraw/zinc/50/98/31/1022509831.db2.gz WWWRQXMTIQTACD-UHFFFAOYSA-N 1 2 346.450 3.874 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664827864 1022511870 /nfs/dbraw/zinc/51/18/70/1022511870.db2.gz DGLCULQRWBYHDS-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000664827864 1022511876 /nfs/dbraw/zinc/51/18/76/1022511876.db2.gz DGLCULQRWBYHDS-VQIMIIECSA-N 1 2 337.467 3.906 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC2(CCCC2)CC1 ZINC000124496692 1022516434 /nfs/dbraw/zinc/51/64/34/1022516434.db2.gz FYNLHEACJDCQIC-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000517639267 1022517676 /nfs/dbraw/zinc/51/76/76/1022517676.db2.gz HCHJVRWXTPPVFY-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O=C(CCCCCc1cccs1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346009187 1022549111 /nfs/dbraw/zinc/54/91/11/1022549111.db2.gz JQAPKVWHVKGQFV-QGZVFWFLSA-N 1 2 344.480 3.926 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831486 1022550837 /nfs/dbraw/zinc/55/08/37/1022550837.db2.gz GNVZCNVLTYXLPB-JXXFODFXSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831486 1022550844 /nfs/dbraw/zinc/55/08/44/1022550844.db2.gz GNVZCNVLTYXLPB-JXXFODFXSA-N 1 2 349.478 3.831 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3ccccc3C2)CCCN1c1ccccc1Cl ZINC000303870597 1022587325 /nfs/dbraw/zinc/58/73/25/1022587325.db2.gz HTRDGCBTBKNIJG-IBGZPJMESA-N 1 2 340.854 3.894 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3ccccc3C2)CCCN1c1ccccc1Cl ZINC000303870597 1022587326 /nfs/dbraw/zinc/58/73/26/1022587326.db2.gz HTRDGCBTBKNIJG-IBGZPJMESA-N 1 2 340.854 3.894 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894602765 1022596091 /nfs/dbraw/zinc/59/60/91/1022596091.db2.gz PJOHYAJFGKFRNF-UHFFFAOYSA-N 1 2 333.526 3.563 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894602765 1022596102 /nfs/dbraw/zinc/59/61/02/1022596102.db2.gz PJOHYAJFGKFRNF-UHFFFAOYSA-N 1 2 333.526 3.563 20 0 EHADLO c1nc2c(s1)C[N@H+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000438369742 1022597783 /nfs/dbraw/zinc/59/77/83/1022597783.db2.gz FAQZONAQCCNYOY-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO c1nc2c(s1)C[N@@H+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000438369742 1022597793 /nfs/dbraw/zinc/59/77/93/1022597793.db2.gz FAQZONAQCCNYOY-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(C)c(Br)c3)ccc2[nH+]1 ZINC000473735296 1022622097 /nfs/dbraw/zinc/62/20/97/1022622097.db2.gz JHSIDIXBHNLVNW-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO COc1cc2c(cc1Cl)C[N@H+](Cc1cnn(C)c1C1CC1)CC2 ZINC000894646693 1022661402 /nfs/dbraw/zinc/66/14/02/1022661402.db2.gz HXRVQDXKLOJXEQ-UHFFFAOYSA-N 1 2 331.847 3.518 20 0 EHADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cnn(C)c1C1CC1)CC2 ZINC000894646693 1022661410 /nfs/dbraw/zinc/66/14/10/1022661410.db2.gz HXRVQDXKLOJXEQ-UHFFFAOYSA-N 1 2 331.847 3.518 20 0 EHADLO Fc1cc2c(cc1Br)[C@H]([NH2+][C@@H]1CCc3cccnc31)CO2 ZINC000894672811 1022689942 /nfs/dbraw/zinc/68/99/42/1022689942.db2.gz IRVOUZWHADEREO-ZIAGYGMSSA-N 1 2 349.203 3.694 20 0 EHADLO CC[C@@H](C)[C@@H](OC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345986855 1022797543 /nfs/dbraw/zinc/79/75/43/1022797543.db2.gz SAIYAYCUDCBZRP-CZUORRHYSA-N 1 2 326.400 3.715 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[C@@H]1C ZINC000517899898 1022807265 /nfs/dbraw/zinc/80/72/65/1022807265.db2.gz XHZGNTCIAFMUFW-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO Cc1nc(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc[nH+]1 ZINC000088754740 1022820101 /nfs/dbraw/zinc/82/01/01/1022820101.db2.gz XIDXJTAYDUTUEL-UHFFFAOYSA-N 1 2 328.416 3.787 20 0 EHADLO CCOc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)o1 ZINC000894751542 1022848514 /nfs/dbraw/zinc/84/85/14/1022848514.db2.gz VHPHFJUHDHHAGK-UHFFFAOYSA-N 1 2 347.415 3.710 20 0 EHADLO Cc1ccncc1N1CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000536337489 1022898412 /nfs/dbraw/zinc/89/84/12/1022898412.db2.gz ZWWRBMYLSNFNGL-QGZVFWFLSA-N 1 2 348.450 3.928 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccco2)cc1 ZINC000894786789 1022912370 /nfs/dbraw/zinc/91/23/70/1022912370.db2.gz CGEUMUNMNPUIJI-LJQANCHMSA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000536344787 1022920949 /nfs/dbraw/zinc/92/09/49/1022920949.db2.gz ADCPNVINPWOQKG-UHFFFAOYSA-N 1 2 345.874 3.844 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Cl)cc2F)CCN1 ZINC000188990596 1022930890 /nfs/dbraw/zinc/93/08/90/1022930890.db2.gz WVQCOGRFACFCKO-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)cc2F)CCN1 ZINC000188990596 1022930919 /nfs/dbraw/zinc/93/09/19/1022930919.db2.gz WVQCOGRFACFCKO-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO CCO[C@H](CC)c1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000665040657 1022980457 /nfs/dbraw/zinc/98/04/57/1022980457.db2.gz NUEVVKAGVXJEJM-CQSZACIVSA-N 1 2 336.342 3.542 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000562965104 1023015525 /nfs/dbraw/zinc/01/55/25/1023015525.db2.gz PWYUJMFKAJAUBT-GDBMZVCRSA-N 1 2 331.847 3.838 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000562965104 1023015539 /nfs/dbraw/zinc/01/55/39/1023015539.db2.gz PWYUJMFKAJAUBT-GDBMZVCRSA-N 1 2 331.847 3.838 20 0 EHADLO c1cc(Sc2ccccn2)oc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449704837 1033095081 /nfs/dbraw/zinc/09/50/81/1033095081.db2.gz IOZNNLUDEXIGNF-UHFFFAOYSA-N 1 2 327.409 3.981 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCc3cccc(C)c3C2)o1 ZINC000429601912 1023026857 /nfs/dbraw/zinc/02/68/57/1023026857.db2.gz XEOSNPWHNVXKMQ-UHFFFAOYSA-N 1 2 333.435 3.836 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCc3cccc(C)c3C2)o1 ZINC000429601912 1023026863 /nfs/dbraw/zinc/02/68/63/1023026863.db2.gz XEOSNPWHNVXKMQ-UHFFFAOYSA-N 1 2 333.435 3.836 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)CC(C)C)c(C)c1 ZINC000506375990 1023032828 /nfs/dbraw/zinc/03/28/28/1023032828.db2.gz XPXHEZYMSPMESK-IEBWSBKVSA-N 1 2 342.487 3.975 20 0 EHADLO CCc1ccc(CC)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000438842672 1023050742 /nfs/dbraw/zinc/05/07/42/1023050742.db2.gz QFZBTCLOPPCPBX-UHFFFAOYSA-N 1 2 326.444 3.830 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000128896757 1023057370 /nfs/dbraw/zinc/05/73/70/1023057370.db2.gz FFQKMUXBKYZKLN-XJKSGUPXSA-N 1 2 346.406 3.536 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)c(C)c1 ZINC000518178136 1023083718 /nfs/dbraw/zinc/08/37/18/1023083718.db2.gz GNLOFLAWVBXYEI-UHFFFAOYSA-N 1 2 340.452 3.961 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)n2)cc1 ZINC000548427303 1023111842 /nfs/dbraw/zinc/11/18/42/1023111842.db2.gz WARDOGWFAJFOPI-DGCLKSJQSA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)n2)cc1 ZINC000548427303 1023111849 /nfs/dbraw/zinc/11/18/49/1023111849.db2.gz WARDOGWFAJFOPI-DGCLKSJQSA-N 1 2 325.334 3.818 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CC2CCC1CC2 ZINC000550412971 1023127446 /nfs/dbraw/zinc/12/74/46/1023127446.db2.gz SVNBILWCELKDNF-KVZIAJEVSA-N 1 2 341.499 3.905 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(OCc3ccccc3)CC2)s1 ZINC000295006849 1023146405 /nfs/dbraw/zinc/14/64/05/1023146405.db2.gz APOIEPHDTKXGBA-UHFFFAOYSA-N 1 2 331.485 3.843 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1OC1CCCCC1 ZINC000438946698 1023164321 /nfs/dbraw/zinc/16/43/21/1023164321.db2.gz XZHFAIRSFMVWCR-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cnc1F ZINC000891870947 1023165873 /nfs/dbraw/zinc/16/58/73/1023165873.db2.gz GPICCRLUYMEEGE-GOSISDBHSA-N 1 2 342.393 3.623 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cnc1F ZINC000891870947 1023165877 /nfs/dbraw/zinc/16/58/77/1023165877.db2.gz GPICCRLUYMEEGE-GOSISDBHSA-N 1 2 342.393 3.623 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346019760 1023167651 /nfs/dbraw/zinc/16/76/51/1023167651.db2.gz QAGSBPFQOIAJTL-INIZCTEOSA-N 1 2 332.492 3.664 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000510797014 1023185285 /nfs/dbraw/zinc/18/52/85/1023185285.db2.gz LTHHYEZQEUWMEQ-SKDRFNHKSA-N 1 2 335.753 3.899 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000510797014 1023185289 /nfs/dbraw/zinc/18/52/89/1023185289.db2.gz LTHHYEZQEUWMEQ-SKDRFNHKSA-N 1 2 335.753 3.899 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)sc2C1 ZINC000507761098 1023188673 /nfs/dbraw/zinc/18/86/73/1023188673.db2.gz UZQOBKHGAXLCHB-BFHYXJOUSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)sc2C1 ZINC000507761098 1023188675 /nfs/dbraw/zinc/18/86/75/1023188675.db2.gz UZQOBKHGAXLCHB-BFHYXJOUSA-N 1 2 333.501 3.676 20 0 EHADLO COc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2ncccc12 ZINC000548440567 1023209996 /nfs/dbraw/zinc/20/99/96/1023209996.db2.gz DSYCODPEWNERSK-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO COc1ccc(OC)c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000507243329 1023210454 /nfs/dbraw/zinc/21/04/54/1023210454.db2.gz LOVMONBLKIPPEW-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000507243329 1023210462 /nfs/dbraw/zinc/21/04/62/1023210462.db2.gz LOVMONBLKIPPEW-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(CC(C)C)no2)cc1 ZINC000341743832 1023230073 /nfs/dbraw/zinc/23/00/73/1023230073.db2.gz QFGAYTDKLHZMID-CQSZACIVSA-N 1 2 349.500 3.857 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000510824118 1023231459 /nfs/dbraw/zinc/23/14/59/1023231459.db2.gz BFKICXQBQKDMCT-XDNAFOTISA-N 1 2 329.488 3.629 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664865393 1023234264 /nfs/dbraw/zinc/23/42/64/1023234264.db2.gz IMCRHEGASYMLCU-UHFFFAOYSA-N 1 2 341.434 3.503 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664865393 1023234267 /nfs/dbraw/zinc/23/42/67/1023234267.db2.gz IMCRHEGASYMLCU-UHFFFAOYSA-N 1 2 341.434 3.503 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000507315672 1023240742 /nfs/dbraw/zinc/24/07/42/1023240742.db2.gz DZPALMAJQAVQKQ-HUUCEWRRSA-N 1 2 346.500 3.833 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)c[nH+]1 ZINC000459075838 1023251441 /nfs/dbraw/zinc/25/14/41/1023251441.db2.gz LSAWMYGCCTZHLI-UHFFFAOYSA-N 1 2 345.393 3.851 20 0 EHADLO CCc1cc(NCc2nc(-c3ccncc3)cs2)nc(CC)[nH+]1 ZINC000895073963 1023290916 /nfs/dbraw/zinc/29/09/16/1023290916.db2.gz OHDMUIVOCWAHHJ-UHFFFAOYSA-N 1 2 325.441 3.732 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341802166 1023340445 /nfs/dbraw/zinc/34/04/45/1023340445.db2.gz PKNVKCPVCHNMPQ-SFHVURJKSA-N 1 2 348.450 3.945 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@@H]3CCCC[C@H]31)C2 ZINC000476312378 1033130193 /nfs/dbraw/zinc/13/01/93/1033130193.db2.gz YWZZYQAOQCXBJS-KBRIMQKVSA-N 1 2 347.528 3.525 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@@H]3CCCC[C@H]31)CC2 ZINC000476312378 1033130204 /nfs/dbraw/zinc/13/02/04/1033130204.db2.gz YWZZYQAOQCXBJS-KBRIMQKVSA-N 1 2 347.528 3.525 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nc(C3CC3)nn2C)C(C)C)cc1 ZINC000563041444 1023429170 /nfs/dbraw/zinc/42/91/70/1023429170.db2.gz DMBLNPCZUVVMTH-UHFFFAOYSA-N 1 2 328.460 3.502 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nc(C3CC3)nn2C)C(C)C)cc1 ZINC000563041444 1023429175 /nfs/dbraw/zinc/42/91/75/1023429175.db2.gz DMBLNPCZUVVMTH-UHFFFAOYSA-N 1 2 328.460 3.502 20 0 EHADLO Clc1cccc2c(N3CCN(Cc4cscn4)CC3)cc[nH+]c12 ZINC000341848661 1023448575 /nfs/dbraw/zinc/44/85/75/1023448575.db2.gz ONOIOCIVGGLFRH-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602760085 1033133727 /nfs/dbraw/zinc/13/37/27/1033133727.db2.gz WOXPZQKROHHSCX-LBPRGKRZSA-N 1 2 342.395 3.963 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602760085 1033133735 /nfs/dbraw/zinc/13/37/35/1033133735.db2.gz WOXPZQKROHHSCX-LBPRGKRZSA-N 1 2 342.395 3.963 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000455943420 1033135465 /nfs/dbraw/zinc/13/54/65/1033135465.db2.gz MXDDWOPFIYOYFO-CQSZACIVSA-N 1 2 331.847 3.788 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1OC(F)F ZINC000349633899 1023484954 /nfs/dbraw/zinc/48/49/54/1023484954.db2.gz SYCUQVYPUKMKJV-UHFFFAOYSA-N 1 2 334.775 3.696 20 0 EHADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@@H]1CCCc2cccnc21 ZINC000548488809 1023517955 /nfs/dbraw/zinc/51/79/55/1023517955.db2.gz LYYOROXVLJMXSJ-GOSISDBHSA-N 1 2 338.455 3.837 20 0 EHADLO CCCC(O)(CCC)CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341884121 1023533620 /nfs/dbraw/zinc/53/36/20/1023533620.db2.gz FQXPYZMGNJXZMH-UHFFFAOYSA-N 1 2 349.519 3.623 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C(C)C)nc3sc(C)nn23)on1 ZINC000535788096 1023636391 /nfs/dbraw/zinc/63/63/91/1023636391.db2.gz YOBRNGXFUPVXKS-ZDUSSCGKSA-N 1 2 345.472 3.856 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(C(C)C)nc3sc(C)nn23)on1 ZINC000535788096 1023636395 /nfs/dbraw/zinc/63/63/95/1023636395.db2.gz YOBRNGXFUPVXKS-ZDUSSCGKSA-N 1 2 345.472 3.856 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761043134 1033151091 /nfs/dbraw/zinc/15/10/91/1033151091.db2.gz VAMYKCDWSDIBHS-ZDUSSCGKSA-N 1 2 325.334 3.683 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761043134 1033151101 /nfs/dbraw/zinc/15/11/01/1033151101.db2.gz VAMYKCDWSDIBHS-ZDUSSCGKSA-N 1 2 325.334 3.683 20 0 EHADLO O=C(c1csc(C2CC2)n1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341901137 1023668771 /nfs/dbraw/zinc/66/87/71/1023668771.db2.gz MSEBVYSVDQWTIQ-UHFFFAOYSA-N 1 2 344.484 3.550 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)nc1 ZINC000341916261 1023675113 /nfs/dbraw/zinc/67/51/13/1023675113.db2.gz VUOWBXQBEYOABP-QGZVFWFLSA-N 1 2 336.357 3.544 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)nc1 ZINC000341916261 1023675116 /nfs/dbraw/zinc/67/51/16/1023675116.db2.gz VUOWBXQBEYOABP-QGZVFWFLSA-N 1 2 336.357 3.544 20 0 EHADLO CCn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176197627 1023686122 /nfs/dbraw/zinc/68/61/22/1023686122.db2.gz IBNVAPJCNAWGJI-ZIAGYGMSSA-N 1 2 332.473 3.773 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000180963311 1023691343 /nfs/dbraw/zinc/69/13/43/1023691343.db2.gz YRHVXVLPTLQTDS-CQSZACIVSA-N 1 2 325.387 3.850 20 0 EHADLO CCOc1ccc([C@H](COC)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000341974788 1023727967 /nfs/dbraw/zinc/72/79/67/1023727967.db2.gz SKEXIFBBSQIAFT-INIZCTEOSA-N 1 2 332.469 3.897 20 0 EHADLO FC(F)(F)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000341982431 1023733355 /nfs/dbraw/zinc/73/33/55/1023733355.db2.gz ALZDVMWSXXBHEB-UHFFFAOYSA-N 1 2 342.390 3.765 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccs3)C1)O[C@@H](C)C2 ZINC000535825425 1023799345 /nfs/dbraw/zinc/79/93/45/1023799345.db2.gz CYYTXXRYVAECSN-SCLBCKFNSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccs3)C1)O[C@@H](C)C2 ZINC000535825425 1023799350 /nfs/dbraw/zinc/79/93/50/1023799350.db2.gz CYYTXXRYVAECSN-SCLBCKFNSA-N 1 2 345.464 3.654 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@H]4CCCCN4c4ccccc43)ccn12 ZINC000574463494 1033162948 /nfs/dbraw/zinc/16/29/48/1033162948.db2.gz QDIWLWPACTWEBY-QGZVFWFLSA-N 1 2 346.434 3.662 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)c4nc(C)no4)CC3)c2c1 ZINC000053074094 1023956119 /nfs/dbraw/zinc/95/61/19/1023956119.db2.gz KYNWTZDUEDRKEL-GFCCVEGCSA-N 1 2 338.411 3.718 20 0 EHADLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)c4nc(C)no4)CC3)c2c1 ZINC000053074094 1023956126 /nfs/dbraw/zinc/95/61/26/1023956126.db2.gz KYNWTZDUEDRKEL-GFCCVEGCSA-N 1 2 338.411 3.718 20 0 EHADLO c1ccc2c(c1)oc1ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)cc12 ZINC000895203677 1023962119 /nfs/dbraw/zinc/96/21/19/1023962119.db2.gz UOCLJGOKZHVBRZ-GOSISDBHSA-N 1 2 348.406 3.845 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1 ZINC000602804124 1033179047 /nfs/dbraw/zinc/17/90/47/1033179047.db2.gz IQJLADGYCPFOKH-SFHVURJKSA-N 1 2 343.398 3.681 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000522189632 1024013120 /nfs/dbraw/zinc/01/31/20/1024013120.db2.gz IVLJFSCROXZFRU-HXUWFJFHSA-N 1 2 349.434 3.600 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434394998 1024013265 /nfs/dbraw/zinc/01/32/65/1024013265.db2.gz OGHDFFRJMNETDB-HOTGVXAUSA-N 1 2 346.519 3.933 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)cc1Br ZINC001141927918 1024030398 /nfs/dbraw/zinc/03/03/98/1024030398.db2.gz QBKUXHNVCUPBRV-LKFCYVNXSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)cc1Br ZINC001141927918 1024030405 /nfs/dbraw/zinc/03/04/05/1024030405.db2.gz QBKUXHNVCUPBRV-LKFCYVNXSA-N 1 2 348.643 3.852 20 0 EHADLO O=C(CCCC(F)(F)F)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988947 1024031144 /nfs/dbraw/zinc/03/11/44/1024031144.db2.gz FUNADHCVIQCRTM-ZDUSSCGKSA-N 1 2 334.769 3.546 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000505419149 1024033159 /nfs/dbraw/zinc/03/31/59/1024033159.db2.gz DMGFOWHCGGILPS-UHFFFAOYSA-N 1 2 345.512 3.771 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000429679051 1024034157 /nfs/dbraw/zinc/03/41/57/1024034157.db2.gz DHHILXQYBHLPCP-KRWDZBQOSA-N 1 2 345.446 3.950 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000429679051 1024034171 /nfs/dbraw/zinc/03/41/71/1024034171.db2.gz DHHILXQYBHLPCP-KRWDZBQOSA-N 1 2 345.446 3.950 20 0 EHADLO FC(F)(F)Cc1noc(C[NH+]2CCC(F)(c3ccccc3)CC2)n1 ZINC000434494998 1024084417 /nfs/dbraw/zinc/08/44/17/1024084417.db2.gz RBYARDKLSZDMQD-UHFFFAOYSA-N 1 2 343.324 3.635 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1OCC ZINC000151337390 1024100380 /nfs/dbraw/zinc/10/03/80/1024100380.db2.gz GLSMDKCXCKHSEG-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1OCC ZINC000151337390 1024100392 /nfs/dbraw/zinc/10/03/92/1024100392.db2.gz GLSMDKCXCKHSEG-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000151351469 1024103271 /nfs/dbraw/zinc/10/32/71/1024103271.db2.gz WPPVPFLHKMYRLV-NVXWUHKLSA-N 1 2 339.345 3.893 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000514091732 1024125390 /nfs/dbraw/zinc/12/53/90/1024125390.db2.gz XFHQISMUDOOOJX-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000514091732 1024125397 /nfs/dbraw/zinc/12/53/97/1024125397.db2.gz XFHQISMUDOOOJX-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000167478363 1024143817 /nfs/dbraw/zinc/14/38/17/1024143817.db2.gz CMGLTHZMAXNPNA-FQEVSTJZSA-N 1 2 346.434 3.612 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000514119046 1024164020 /nfs/dbraw/zinc/16/40/20/1024164020.db2.gz QIXFQBXNMIVIDA-OCCSQVGLSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000514119046 1024164024 /nfs/dbraw/zinc/16/40/24/1024164024.db2.gz QIXFQBXNMIVIDA-OCCSQVGLSA-N 1 2 337.769 3.626 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccoc2)n1)C[C@H]1COc2ccccc2O1 ZINC000170983408 1024171051 /nfs/dbraw/zinc/17/10/51/1024171051.db2.gz UJEJVRULPJIFLU-HNNXBMFYSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1csc(-c2ccoc2)n1)C[C@H]1COc2ccccc2O1 ZINC000170983408 1024171057 /nfs/dbraw/zinc/17/10/57/1024171057.db2.gz UJEJVRULPJIFLU-HNNXBMFYSA-N 1 2 342.420 3.675 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507782268 1024191666 /nfs/dbraw/zinc/19/16/66/1024191666.db2.gz FACBFGCEGYAGRJ-LZQZEXGQSA-N 1 2 345.462 3.834 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(C(F)(F)F)cn1 ZINC000342131406 1024210688 /nfs/dbraw/zinc/21/06/88/1024210688.db2.gz NAZFQTWKYVZPFM-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(C(F)(F)F)cn1 ZINC000342131406 1024210702 /nfs/dbraw/zinc/21/07/02/1024210702.db2.gz NAZFQTWKYVZPFM-UHFFFAOYSA-N 1 2 345.390 3.514 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CCCC2CCCC2)CC[NH2+]1 ZINC000505461984 1024271771 /nfs/dbraw/zinc/27/17/71/1024271771.db2.gz VEUAIHSDJRUYIM-GOSISDBHSA-N 1 2 330.472 3.529 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4occc43)c[nH+]2)C[C@@H](C)O1 ZINC000330057330 1024306340 /nfs/dbraw/zinc/30/63/40/1024306340.db2.gz XHXOAACCFOUPAB-CKEIUWERSA-N 1 2 327.428 3.778 20 0 EHADLO Cc1noc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC000505480824 1024313508 /nfs/dbraw/zinc/31/35/08/1024313508.db2.gz PVLWNSQOYWVVJK-UHFFFAOYSA-N 1 2 325.334 3.956 20 0 EHADLO CSc1ccccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027215 1024313627 /nfs/dbraw/zinc/31/36/27/1024313627.db2.gz LYKLFMBUTFYIRH-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ncc1Br ZINC000895346016 1024344633 /nfs/dbraw/zinc/34/46/33/1024344633.db2.gz BTZANWKACODIAY-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO c1ccc(NC2CCN(c3ccc(-c4ccncc4)cn3)CC2)[nH+]c1 ZINC000895346632 1024346337 /nfs/dbraw/zinc/34/63/37/1024346337.db2.gz LFURKRKBJRCAIH-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO CCc1nc2sccc2c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895353037 1024367352 /nfs/dbraw/zinc/36/73/52/1024367352.db2.gz REKYSBSXGVZBQR-UHFFFAOYSA-N 1 2 339.468 3.730 20 0 EHADLO c1ccc(NC2CCN(c3ncnc4c5ccccc5oc43)CC2)[nH+]c1 ZINC000895356533 1024382162 /nfs/dbraw/zinc/38/21/62/1024382162.db2.gz XPWOBJAQUBIMNT-UHFFFAOYSA-N 1 2 345.406 3.852 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)o1 ZINC000520666524 1024384530 /nfs/dbraw/zinc/38/45/30/1024384530.db2.gz CSRGYPDAHUYIRS-DNVCBOLYSA-N 1 2 349.434 3.507 20 0 EHADLO O=C(c1cc2ccccc2s1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505507333 1024392187 /nfs/dbraw/zinc/39/21/87/1024392187.db2.gz QFPRYDIGGKVYLA-INIZCTEOSA-N 1 2 340.423 3.827 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000505507588 1024411313 /nfs/dbraw/zinc/41/13/13/1024411313.db2.gz RQTUVNUPHLFTQH-SCLBCKFNSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1cn2c(nc(C)c2C[NH2+]Cc2c(F)cc(F)c(F)c2F)s1 ZINC000684663817 1024427141 /nfs/dbraw/zinc/42/71/41/1024427141.db2.gz BISSLDSTNYQAIJ-UHFFFAOYSA-N 1 2 343.349 3.859 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000505536307 1024450074 /nfs/dbraw/zinc/45/00/74/1024450074.db2.gz OBVBMNZYDJOERF-ZWKOTPCHSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000346151616 1024452729 /nfs/dbraw/zinc/45/27/29/1024452729.db2.gz OPNFDVGYNPNWTO-UHFFFAOYSA-N 1 2 339.370 3.617 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000505574614 1024517445 /nfs/dbraw/zinc/51/74/45/1024517445.db2.gz ZBYOSFVFQUUEKM-SHTLVRLNSA-N 1 2 349.478 3.781 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000346233483 1024548552 /nfs/dbraw/zinc/54/85/52/1024548552.db2.gz KJBYEDXQQCLYIQ-UHFFFAOYSA-N 1 2 349.409 3.875 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000282452735 1024558136 /nfs/dbraw/zinc/55/81/36/1024558136.db2.gz FMHCLFBVCBMUET-QGZVFWFLSA-N 1 2 340.471 3.525 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000895483728 1024562642 /nfs/dbraw/zinc/56/26/42/1024562642.db2.gz TVMMIVBVWHBOSP-UHFFFAOYSA-N 1 2 342.436 3.705 20 0 EHADLO COc1ccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884156 1024589967 /nfs/dbraw/zinc/58/99/67/1024589967.db2.gz FBKXEKBGUSUWGH-DOTOQJQBSA-N 1 2 336.395 3.696 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)c(OC)c1 ZINC000025358203 1024609985 /nfs/dbraw/zinc/60/99/85/1024609985.db2.gz GUSHXMZYYSVLSX-UHFFFAOYSA-N 1 2 342.395 3.974 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)c(OC)c1 ZINC000025358203 1024609993 /nfs/dbraw/zinc/60/99/93/1024609993.db2.gz GUSHXMZYYSVLSX-UHFFFAOYSA-N 1 2 342.395 3.974 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000346294479 1024611392 /nfs/dbraw/zinc/61/13/92/1024611392.db2.gz BHSHERZBPDGMPB-UHFFFAOYSA-N 1 2 336.395 3.703 20 0 EHADLO O=C(/C=C\C=C(Cl)Cl)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000895560953 1024612026 /nfs/dbraw/zinc/61/20/26/1024612026.db2.gz LOYOLPCNSGNFSQ-XQRVVYSFSA-N 1 2 346.283 3.943 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCc2ccccc2OC)o1 ZINC000505605652 1024628870 /nfs/dbraw/zinc/62/88/70/1024628870.db2.gz HOXVMSZLJXTRJW-GOSISDBHSA-N 1 2 329.440 3.857 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCCc2ccccc2OC)o1 ZINC000505605652 1024628875 /nfs/dbraw/zinc/62/88/75/1024628875.db2.gz HOXVMSZLJXTRJW-GOSISDBHSA-N 1 2 329.440 3.857 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000684686890 1024629234 /nfs/dbraw/zinc/62/92/34/1024629234.db2.gz UCMJNGLHCNOBMN-HOCLYGCPSA-N 1 2 338.386 3.931 20 0 EHADLO FC(F)(F)c1cnc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000435129324 1024639573 /nfs/dbraw/zinc/63/95/73/1024639573.db2.gz JDUCBLVCBRMRIR-UHFFFAOYSA-N 1 2 347.431 3.541 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H](C)CCC2CC2)c1)[NH+]1CCOCC1 ZINC000346315294 1024640659 /nfs/dbraw/zinc/64/06/59/1024640659.db2.gz OYIUVJLRSGJCSN-JKSUJKDBSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(-c3csc(C)n3)c2)c[nH+]1 ZINC000895601921 1024646489 /nfs/dbraw/zinc/64/64/89/1024646489.db2.gz SKOMZKGMJUXSTN-UHFFFAOYSA-N 1 2 340.452 3.997 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC[C@H]1C(=O)OC(C)(C)C ZINC000895593963 1024650003 /nfs/dbraw/zinc/65/00/03/1024650003.db2.gz CFVFRXYICWRUSL-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC[C@H]1C(=O)OC(C)(C)C ZINC000895593963 1024650010 /nfs/dbraw/zinc/65/00/10/1024650010.db2.gz CFVFRXYICWRUSL-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000895593960 1024650522 /nfs/dbraw/zinc/65/05/22/1024650522.db2.gz CFVFRXYICWRUSL-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000895593960 1024650527 /nfs/dbraw/zinc/65/05/27/1024650527.db2.gz CFVFRXYICWRUSL-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)oc1C ZINC000185642565 1024656369 /nfs/dbraw/zinc/65/63/69/1024656369.db2.gz GNFXBZONWVVGKF-SECBINFHSA-N 1 2 330.354 3.518 20 0 EHADLO COc1ccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)cn1 ZINC001211884890 1024662885 /nfs/dbraw/zinc/66/28/85/1024662885.db2.gz IEAAPSZNKWTRLM-HZPDHXFCSA-N 1 2 336.395 3.696 20 0 EHADLO CCn1c[nH+]cc1CN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000417788771 1024676581 /nfs/dbraw/zinc/67/65/81/1024676581.db2.gz UJEWCRIOHOARTK-UHFFFAOYSA-N 1 2 335.455 3.512 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@H](C)[NH+]3CCSCC3)cc2s1 ZINC000343355652 1024694278 /nfs/dbraw/zinc/69/42/78/1024694278.db2.gz LIWHYCDJEKEACR-LBPRGKRZSA-N 1 2 349.525 3.796 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cncnc2)ccc1Br ZINC000281173916 1024704606 /nfs/dbraw/zinc/70/46/06/1024704606.db2.gz QXFTYDJAXLJEJN-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cncnc2)ccc1Br ZINC000281173916 1024704612 /nfs/dbraw/zinc/70/46/12/1024704612.db2.gz QXFTYDJAXLJEJN-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CCSCc1ccc[nH+]c1NC1CCN(CC(F)(F)F)CC1 ZINC000895688193 1024721044 /nfs/dbraw/zinc/72/10/44/1024721044.db2.gz IHKIZLPVYFFTNS-UHFFFAOYSA-N 1 2 333.423 3.773 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000425311843 1024730110 /nfs/dbraw/zinc/73/01/10/1024730110.db2.gz GAFZJUKDCSLBDQ-IEBWSBKVSA-N 1 2 335.451 3.723 20 0 EHADLO COCc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000346438264 1024733755 /nfs/dbraw/zinc/73/37/55/1024733755.db2.gz HLZUYAPWQISCRL-HXUWFJFHSA-N 1 2 337.398 3.641 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)NCCCCNc1cccc[nH+]1 ZINC000281192289 1024735026 /nfs/dbraw/zinc/73/50/26/1024735026.db2.gz IKWNIUFHHNEBMA-UHFFFAOYSA-N 1 2 337.467 3.974 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000281195973 1024737998 /nfs/dbraw/zinc/73/79/98/1024737998.db2.gz MWWVBILFKLHRAX-LJQANCHMSA-N 1 2 339.483 3.757 20 0 EHADLO CCc1cc(N2CCC[C@H]2c2cncc(Br)c2)nc(C)[nH+]1 ZINC000895710382 1024748617 /nfs/dbraw/zinc/74/86/17/1024748617.db2.gz UOFHCPWQEPGEFE-HNNXBMFYSA-N 1 2 347.260 3.846 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCCCC1(F)F ZINC000425321391 1024758509 /nfs/dbraw/zinc/75/85/09/1024758509.db2.gz YTAUYBVUXSXZIY-HOTGVXAUSA-N 1 2 347.409 3.873 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(F)F ZINC000895724228 1024770150 /nfs/dbraw/zinc/77/01/50/1024770150.db2.gz DBCIKPWLRAAFIY-ZLKJLUDKSA-N 1 2 347.247 3.828 20 0 EHADLO CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000427773431 1024776025 /nfs/dbraw/zinc/77/60/25/1024776025.db2.gz ZMWJMUAAQPKCSM-UHFFFAOYSA-N 1 2 330.391 3.626 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000474353987 1024801160 /nfs/dbraw/zinc/80/11/60/1024801160.db2.gz OAZVFZWLBLKPMQ-QGZVFWFLSA-N 1 2 340.471 3.840 20 0 EHADLO CSCc1ccc(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1 ZINC000895758727 1024802268 /nfs/dbraw/zinc/80/22/68/1024802268.db2.gz MLJYKDZCSIQHKW-UHFFFAOYSA-N 1 2 342.512 3.670 20 0 EHADLO CSCc1ccc(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1 ZINC000895758727 1024802289 /nfs/dbraw/zinc/80/22/89/1024802289.db2.gz MLJYKDZCSIQHKW-UHFFFAOYSA-N 1 2 342.512 3.670 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000346496382 1024806527 /nfs/dbraw/zinc/80/65/27/1024806527.db2.gz UNYUUWUACVXMBV-QGZVFWFLSA-N 1 2 349.862 3.522 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCOc1cccc(Cl)c1 ZINC000346496382 1024806551 /nfs/dbraw/zinc/80/65/51/1024806551.db2.gz UNYUUWUACVXMBV-QGZVFWFLSA-N 1 2 349.862 3.522 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000425344917 1024815039 /nfs/dbraw/zinc/81/50/39/1024815039.db2.gz UOOKLORXEBWIJJ-QGZVFWFLSA-N 1 2 337.826 3.830 20 0 EHADLO COC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000346522009 1024824954 /nfs/dbraw/zinc/82/49/54/1024824954.db2.gz JZKOHVULCOEUNJ-LSDHHAIUSA-N 1 2 343.345 3.699 20 0 EHADLO CC(C)c1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1-c1ccccc1 ZINC000435353094 1024832829 /nfs/dbraw/zinc/83/28/29/1024832829.db2.gz DXLQRHMCBVADJH-UHFFFAOYSA-N 1 2 345.406 3.896 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@@H](CCO)c2ccco2)c2cccnc2)ccc1F ZINC000346537038 1024839298 /nfs/dbraw/zinc/83/92/98/1024839298.db2.gz JBLLITMETDWRTO-AZUAARDMSA-N 1 2 340.398 3.925 20 0 EHADLO F[C@@H]1CC2(CC[C@H]1[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119754 1024842704 /nfs/dbraw/zinc/84/27/04/1024842704.db2.gz HRXZYPCWXCFQAU-BZUAXINKSA-N 1 2 325.811 3.721 20 0 EHADLO F[C@@H]1CC2(CC[C@H]1[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119754 1024842729 /nfs/dbraw/zinc/84/27/29/1024842729.db2.gz HRXZYPCWXCFQAU-BZUAXINKSA-N 1 2 325.811 3.721 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)cc1Cl ZINC000375655971 1024846600 /nfs/dbraw/zinc/84/66/00/1024846600.db2.gz OKHXLUPAEATWLZ-PXAZEXFGSA-N 1 2 331.847 3.877 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000427861445 1024848667 /nfs/dbraw/zinc/84/86/67/1024848667.db2.gz CZIGBUBYYMWCOT-SJORKVTESA-N 1 2 339.426 3.884 20 0 EHADLO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000346515996 1024856558 /nfs/dbraw/zinc/85/65/58/1024856558.db2.gz WKRFADPYZVIHJK-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000346515996 1024856576 /nfs/dbraw/zinc/85/65/76/1024856576.db2.gz WKRFADPYZVIHJK-MRXNPFEDSA-N 1 2 344.455 3.514 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000895838215 1024881481 /nfs/dbraw/zinc/88/14/81/1024881481.db2.gz VARUWYUCTZTEGN-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000895838215 1024881488 /nfs/dbraw/zinc/88/14/88/1024881488.db2.gz VARUWYUCTZTEGN-JTQLQIEISA-N 1 2 333.297 3.514 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657306365 1024885842 /nfs/dbraw/zinc/88/58/42/1024885842.db2.gz HZRIUESNQCFXOM-UHFFFAOYSA-N 1 2 326.318 3.511 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000895830092 1024894278 /nfs/dbraw/zinc/89/42/78/1024894278.db2.gz YPINZNWMQASBHD-UHFFFAOYSA-N 1 2 335.391 3.931 20 0 EHADLO COC(=O)c1conc1C(C)(C)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000425375732 1024907115 /nfs/dbraw/zinc/90/71/15/1024907115.db2.gz UIXPSFFYBPEGIA-SNAWJCMRSA-N 1 2 334.803 3.653 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCc1nccs1 ZINC000157450413 1024908691 /nfs/dbraw/zinc/90/86/91/1024908691.db2.gz BQHVVEJKEPEOKE-UHFFFAOYSA-N 1 2 331.485 3.688 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157450413 1024908703 /nfs/dbraw/zinc/90/87/03/1024908703.db2.gz BQHVVEJKEPEOKE-UHFFFAOYSA-N 1 2 331.485 3.688 20 0 EHADLO Cc1cc(C)nc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000346578643 1024918020 /nfs/dbraw/zinc/91/80/20/1024918020.db2.gz DZLLMCDOXKFPDF-UHFFFAOYSA-N 1 2 331.379 3.660 20 0 EHADLO CCC(CC)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000428003376 1024922573 /nfs/dbraw/zinc/92/25/73/1024922573.db2.gz CJBSNEXNUPRDBS-MRXNPFEDSA-N 1 2 345.874 3.726 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)NCCC1=CCCCC1)C1CC1 ZINC000071954413 1024923461 /nfs/dbraw/zinc/92/34/61/1024923461.db2.gz JTWFCDCCPMBNIP-UHFFFAOYSA-N 1 2 342.483 3.666 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)NCCC1=CCCCC1)C1CC1 ZINC000071954413 1024923465 /nfs/dbraw/zinc/92/34/65/1024923465.db2.gz JTWFCDCCPMBNIP-UHFFFAOYSA-N 1 2 342.483 3.666 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(Cl)c1OC ZINC000120071594 1033249903 /nfs/dbraw/zinc/24/99/03/1033249903.db2.gz BMTNKBQFCMHJEE-UHFFFAOYSA-N 1 2 349.814 3.718 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(Cl)c1OC ZINC000120071594 1033249911 /nfs/dbraw/zinc/24/99/11/1033249911.db2.gz BMTNKBQFCMHJEE-UHFFFAOYSA-N 1 2 349.814 3.718 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)n(C)n1 ZINC000514990304 1024946161 /nfs/dbraw/zinc/94/61/61/1024946161.db2.gz DSPRSOYMIRXPFE-INIZCTEOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)n(C)n1 ZINC000514990304 1024946172 /nfs/dbraw/zinc/94/61/72/1024946172.db2.gz DSPRSOYMIRXPFE-INIZCTEOSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000435511224 1024964652 /nfs/dbraw/zinc/96/46/52/1024964652.db2.gz MFWASXDLHNXAHO-UKRRQHHQSA-N 1 2 330.407 3.507 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccccc1F ZINC000840335417 1024987714 /nfs/dbraw/zinc/98/77/14/1024987714.db2.gz VZZDGNRHVSPWQD-SWLSCSKDSA-N 1 2 325.391 3.688 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(OC)c1 ZINC000281395716 1024998147 /nfs/dbraw/zinc/99/81/47/1024998147.db2.gz HHFRUQLFSDXMAJ-UHFFFAOYSA-N 1 2 329.293 3.550 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4cccs4)C3)cc(=O)oc2c1 ZINC000157655515 1025003253 /nfs/dbraw/zinc/00/32/53/1025003253.db2.gz VCWNDIYLMNJPMP-KRWDZBQOSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](c4cccs4)C3)cc(=O)oc2c1 ZINC000157655515 1025003263 /nfs/dbraw/zinc/00/32/63/1025003263.db2.gz VCWNDIYLMNJPMP-KRWDZBQOSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1cc(C)c(NC(=O)CCCOc2ccc3c(c2)OCO3)c(C)[nH+]1 ZINC000428172223 1025028502 /nfs/dbraw/zinc/02/85/02/1025028502.db2.gz RTYQLUUFLJKKJO-UHFFFAOYSA-N 1 2 342.395 3.533 20 0 EHADLO CC(=O)c1cn(C2C[NH+](Cc3ccccc3-c3ccccc3C)C2)nn1 ZINC000897940337 1033250891 /nfs/dbraw/zinc/25/08/91/1033250891.db2.gz IKKSYNFDSGXUPJ-UHFFFAOYSA-N 1 2 346.434 3.513 20 0 EHADLO C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccc(O)c1 ZINC000342363738 1025060782 /nfs/dbraw/zinc/06/07/82/1025060782.db2.gz SZXUTZPWRWGSSQ-KDOFPFPSSA-N 1 2 335.407 3.515 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)no1 ZINC000520830437 1025070151 /nfs/dbraw/zinc/07/01/51/1025070151.db2.gz IJAQANZYACTRQG-KSZLIROESA-N 1 2 343.471 3.853 20 0 EHADLO Cc1ccc(C(C)(C)NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000515177591 1025073900 /nfs/dbraw/zinc/07/39/00/1025073900.db2.gz KHCSVVAZIAGCLY-SFHVURJKSA-N 1 2 348.450 3.687 20 0 EHADLO O=C(c1cc(Cl)c(F)cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342368023 1025076927 /nfs/dbraw/zinc/07/69/27/1025076927.db2.gz JUGBAYHOFGQDFR-UHFFFAOYSA-N 1 2 342.201 3.875 20 0 EHADLO O=C(c1cc(Cl)c(F)cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000342368023 1025076934 /nfs/dbraw/zinc/07/69/34/1025076934.db2.gz JUGBAYHOFGQDFR-UHFFFAOYSA-N 1 2 342.201 3.875 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000435706939 1025092231 /nfs/dbraw/zinc/09/22/31/1025092231.db2.gz UNGDOTAPCGOCHA-WMLDXEAASA-N 1 2 346.862 3.862 20 0 EHADLO Brc1ccc2oc(N3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000892160058 1025113009 /nfs/dbraw/zinc/11/30/09/1025113009.db2.gz UGJZEVKYYMINGI-UHFFFAOYSA-N 1 2 347.216 3.628 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548657222 1025114468 /nfs/dbraw/zinc/11/44/68/1025114468.db2.gz FAACGTFOPGKEQW-SJORKVTESA-N 1 2 346.519 3.882 20 0 EHADLO Cc1cccn2cc(Cc3noc(CC(C)(C)CC(F)F)n3)[nH+]c12 ZINC000896067175 1025120034 /nfs/dbraw/zinc/12/00/34/1025120034.db2.gz VWOZOGCQQSXUIP-UHFFFAOYSA-N 1 2 334.370 3.840 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C(=O)OC(C)(C)C ZINC000582060424 1025128326 /nfs/dbraw/zinc/12/83/26/1025128326.db2.gz IEKXGQCAITZIHQ-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C(=O)OC(C)(C)C ZINC000582060424 1025128329 /nfs/dbraw/zinc/12/83/29/1025128329.db2.gz IEKXGQCAITZIHQ-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1(Oc2ccccc2F)CC1 ZINC000442017759 1025140485 /nfs/dbraw/zinc/14/04/85/1025140485.db2.gz TXPZMTVGLFNREH-UHFFFAOYSA-N 1 2 337.354 3.766 20 0 EHADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000074346381 1025150532 /nfs/dbraw/zinc/15/05/32/1025150532.db2.gz DSPJIZJUCBKFJC-CQSZACIVSA-N 1 2 325.334 3.560 20 0 EHADLO C[C@H]1c2ccc(F)cc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000167562439 1025178331 /nfs/dbraw/zinc/17/83/31/1025178331.db2.gz LHLVISAWTNEHGG-LBPRGKRZSA-N 1 2 339.418 3.844 20 0 EHADLO COc1cnc([C@H]2CCC[N@@H+]2Cc2cccc(C(C)(C)C)c2)[nH]c1=O ZINC000934269518 1025187267 /nfs/dbraw/zinc/18/72/67/1025187267.db2.gz HXGVOAROTSPHRF-MRXNPFEDSA-N 1 2 341.455 3.825 20 0 EHADLO COc1cnc([C@H]2CCC[N@H+]2Cc2cccc(C(C)(C)C)c2)[nH]c1=O ZINC000934269518 1025187272 /nfs/dbraw/zinc/18/72/72/1025187272.db2.gz HXGVOAROTSPHRF-MRXNPFEDSA-N 1 2 341.455 3.825 20 0 EHADLO C[C@H]1CCC[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000152103614 1025196860 /nfs/dbraw/zinc/19/68/60/1025196860.db2.gz HXYATSJRHYNFAE-HOTGVXAUSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cccn2cc(Cc3noc(C4(c5ccccc5)CC4)n3)[nH+]c12 ZINC000546388506 1025197474 /nfs/dbraw/zinc/19/74/74/1025197474.db2.gz ZORRYEPXWNVNPE-UHFFFAOYSA-N 1 2 330.391 3.696 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nc(Br)c[nH]1)C(C)(C)C ZINC000897994460 1033266177 /nfs/dbraw/zinc/26/61/77/1033266177.db2.gz QWEZHGBOQKSHKC-CQSZACIVSA-N 1 2 337.265 3.753 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cscc1C(F)F ZINC000896182570 1025211067 /nfs/dbraw/zinc/21/10/67/1025211067.db2.gz RFYKXKJWCQPQCH-UHFFFAOYSA-N 1 2 325.384 3.703 20 0 EHADLO C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346838930 1025228627 /nfs/dbraw/zinc/22/86/27/1025228627.db2.gz FSQXHLUIRKVKIK-INIZCTEOSA-N 1 2 331.419 3.518 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000346843018 1025231990 /nfs/dbraw/zinc/23/19/90/1025231990.db2.gz KROJBHVQJHBLTO-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000346843018 1025232000 /nfs/dbraw/zinc/23/20/00/1025232000.db2.gz KROJBHVQJHBLTO-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO Brc1cccnc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342409392 1025242984 /nfs/dbraw/zinc/24/29/84/1025242984.db2.gz CJQWCOBBWNCGFL-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000346858077 1025247998 /nfs/dbraw/zinc/24/79/98/1025247998.db2.gz VAJLDSGPPCPLPS-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000346858077 1025248008 /nfs/dbraw/zinc/24/80/08/1025248008.db2.gz VAJLDSGPPCPLPS-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO O=C(NCCn1cc[nH+]c1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442294827 1025252328 /nfs/dbraw/zinc/25/23/28/1025252328.db2.gz RJYJMEHMHFKGNG-UHFFFAOYSA-N 1 2 349.221 3.615 20 0 EHADLO CC[C@@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@@H+]1CCO[C@H](CC)C1 ZINC000896217078 1025253227 /nfs/dbraw/zinc/25/32/27/1025253227.db2.gz ILIDKTLGIRIVGM-DYVFJYSZSA-N 1 2 340.427 3.780 20 0 EHADLO CC[C@@H](c1nc(-c2c[nH]c3ccccc32)no1)[N@H+]1CCO[C@H](CC)C1 ZINC000896217078 1025253237 /nfs/dbraw/zinc/25/32/37/1025253237.db2.gz ILIDKTLGIRIVGM-DYVFJYSZSA-N 1 2 340.427 3.780 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000188960288 1025264830 /nfs/dbraw/zinc/26/48/30/1025264830.db2.gz DAPHQAOWLVPQOZ-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000188960288 1025264843 /nfs/dbraw/zinc/26/48/43/1025264843.db2.gz DAPHQAOWLVPQOZ-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC000896246288 1025274988 /nfs/dbraw/zinc/27/49/88/1025274988.db2.gz PEKNFWXGHDFECA-QWHCGFSZSA-N 1 2 325.441 3.512 20 0 EHADLO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000435992874 1025279097 /nfs/dbraw/zinc/27/90/97/1025279097.db2.gz IKGVEVIVLCEXLH-INIZCTEOSA-N 1 2 338.430 3.933 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)oc1C ZINC000582099842 1025296207 /nfs/dbraw/zinc/29/62/07/1025296207.db2.gz OIQQRVXMAHYSIN-XOBRGWDASA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)oc1C ZINC000582099842 1025296217 /nfs/dbraw/zinc/29/62/17/1025296217.db2.gz OIQQRVXMAHYSIN-XOBRGWDASA-N 1 2 343.423 3.683 20 0 EHADLO O=C(NCCCc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342417085 1025301874 /nfs/dbraw/zinc/30/18/74/1025301874.db2.gz SPTUAFVVNVGDGK-UHFFFAOYSA-N 1 2 339.826 3.888 20 0 EHADLO COc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1OC ZINC000894311366 1025303566 /nfs/dbraw/zinc/30/35/66/1025303566.db2.gz SQDKJHAXNLPAEW-MRXNPFEDSA-N 1 2 348.830 3.599 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000521288048 1025310261 /nfs/dbraw/zinc/31/02/61/1025310261.db2.gz HYIYBQHWDMLHCP-IAGOWNOFSA-N 1 2 331.847 3.769 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000113401589 1025325471 /nfs/dbraw/zinc/32/54/71/1025325471.db2.gz GQPDYBHZHXQGED-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NCCc1[nH]cc[nH+]1 ZINC000255486261 1025328001 /nfs/dbraw/zinc/32/80/01/1025328001.db2.gz NNBYKRDTMOWMLD-VURMDHGXSA-N 1 2 341.411 3.649 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000665445277 1025330752 /nfs/dbraw/zinc/33/07/52/1025330752.db2.gz MYKWHTQOHPFDJV-UHFFFAOYSA-N 1 2 336.435 3.649 20 0 EHADLO COc1cccc(N2CC[NH+]([C@@H](C)c3c(F)cccc3F)CC2)c1 ZINC000515544463 1025335809 /nfs/dbraw/zinc/33/58/09/1025335809.db2.gz RFIVCSWYTBFSEB-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnccc3C)n2)cc1F ZINC000348535596 1025346549 /nfs/dbraw/zinc/34/65/49/1025346549.db2.gz ZMQLTKDBXWIIEI-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(CSC)cc1 ZINC000346979712 1025358252 /nfs/dbraw/zinc/35/82/52/1025358252.db2.gz LQWPUJBLEMFAER-UHFFFAOYSA-N 1 2 345.512 3.861 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnn1C(CC)CC ZINC000346965503 1025362439 /nfs/dbraw/zinc/36/24/39/1025362439.db2.gz IQSSGDLJVCXCHU-UHFFFAOYSA-N 1 2 345.491 3.556 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425460559 1025364819 /nfs/dbraw/zinc/36/48/19/1025364819.db2.gz QWGGBUFOIWCJGP-UFBFGSQYSA-N 1 2 331.750 3.526 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)[nH+]1 ZINC000684763161 1025365122 /nfs/dbraw/zinc/36/51/22/1025365122.db2.gz VIZZXKCMTBVGQE-OLZOCXBDSA-N 1 2 330.338 3.836 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(C(F)(F)F)cc1 ZINC000346976145 1025375813 /nfs/dbraw/zinc/37/58/13/1025375813.db2.gz ROYHLSSAFYDLEJ-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(C(F)(F)F)cc1 ZINC000346976145 1025375820 /nfs/dbraw/zinc/37/58/20/1025375820.db2.gz ROYHLSSAFYDLEJ-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO CCc1cccc(F)c1C[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000474717609 1025384644 /nfs/dbraw/zinc/38/46/44/1025384644.db2.gz YMAHXBACVRPAGL-UHFFFAOYSA-N 1 2 339.414 3.872 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346988221 1025390413 /nfs/dbraw/zinc/39/04/13/1025390413.db2.gz RSFUAIBNOKHQDZ-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346988221 1025390425 /nfs/dbraw/zinc/39/04/25/1025390425.db2.gz RSFUAIBNOKHQDZ-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO COc1ccncc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347029380 1025434538 /nfs/dbraw/zinc/43/45/38/1025434538.db2.gz IFCSFAHNJFEIDC-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1ccncc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347029380 1025434547 /nfs/dbraw/zinc/43/45/47/1025434547.db2.gz IFCSFAHNJFEIDC-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC000896424309 1025437474 /nfs/dbraw/zinc/43/74/74/1025437474.db2.gz NVDBAOREOLDRNC-FQEVSTJZSA-N 1 2 340.423 3.759 20 0 EHADLO COc1ccncc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000347041536 1025456493 /nfs/dbraw/zinc/45/64/93/1025456493.db2.gz YVSJJIUVZJJRQT-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccncc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000347041536 1025456500 /nfs/dbraw/zinc/45/65/00/1025456500.db2.gz YVSJJIUVZJJRQT-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000442742905 1025462360 /nfs/dbraw/zinc/46/23/60/1025462360.db2.gz JIFCHBCHVQDGDS-MRXNPFEDSA-N 1 2 347.418 3.729 20 0 EHADLO COc1cccc2c(NCc3cccc(C(=O)N(C)C)c3)cc[nH+]c12 ZINC000436195095 1025467933 /nfs/dbraw/zinc/46/79/33/1025467933.db2.gz CSOFFQSHIWXLDH-UHFFFAOYSA-N 1 2 335.407 3.557 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c[nH+]1 ZINC000896487457 1025474188 /nfs/dbraw/zinc/47/41/88/1025474188.db2.gz HSDMYDPEBCPIKW-SJORKVTESA-N 1 2 325.456 3.640 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c[nH+]1 ZINC000896487453 1025474816 /nfs/dbraw/zinc/47/48/16/1025474816.db2.gz HSDMYDPEBCPIKW-IAGOWNOFSA-N 1 2 325.456 3.640 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000281771835 1025480830 /nfs/dbraw/zinc/48/08/30/1025480830.db2.gz IEFASQDGTBKELO-OAQYLSRUSA-N 1 2 345.446 3.823 20 0 EHADLO CC(C)[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000347093169 1025488651 /nfs/dbraw/zinc/48/86/51/1025488651.db2.gz GRYSEGDKEPTIAW-IBGZPJMESA-N 1 2 343.446 3.757 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)CSC ZINC000281800448 1025496677 /nfs/dbraw/zinc/49/66/77/1025496677.db2.gz GEWHEYJJVOPAFV-UHFFFAOYSA-N 1 2 349.544 3.536 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347117649 1025535775 /nfs/dbraw/zinc/53/57/75/1025535775.db2.gz WXEWNEMCDYMWRJ-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347117649 1025535786 /nfs/dbraw/zinc/53/57/86/1025535786.db2.gz WXEWNEMCDYMWRJ-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO C[C@@]1(F)CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000451111266 1025545422 /nfs/dbraw/zinc/54/54/22/1025545422.db2.gz FHVJGWXCXSOFLR-CQSZACIVSA-N 1 2 327.197 3.914 20 0 EHADLO C[C@@]1(F)CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000451111266 1025545435 /nfs/dbraw/zinc/54/54/35/1025545435.db2.gz FHVJGWXCXSOFLR-CQSZACIVSA-N 1 2 327.197 3.914 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC000442884513 1025566137 /nfs/dbraw/zinc/56/61/37/1025566137.db2.gz HKCJAYCSRXIYAX-CYBMUJFWSA-N 1 2 336.501 3.625 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c(Cl)c1OC ZINC000648074369 1025592553 /nfs/dbraw/zinc/59/25/53/1025592553.db2.gz UTIDSXBMUDCLPV-LBPRGKRZSA-N 1 2 325.836 3.501 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c(Cl)c1OC ZINC000648074369 1025592569 /nfs/dbraw/zinc/59/25/69/1025592569.db2.gz UTIDSXBMUDCLPV-LBPRGKRZSA-N 1 2 325.836 3.501 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000303664588 1025599673 /nfs/dbraw/zinc/59/96/73/1025599673.db2.gz XGBLQTYNFVSZMS-KRWDZBQOSA-N 1 2 340.467 3.530 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000303664588 1025599681 /nfs/dbraw/zinc/59/96/81/1025599681.db2.gz XGBLQTYNFVSZMS-KRWDZBQOSA-N 1 2 340.467 3.530 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCCc3sccc31)C2 ZINC000530293436 1025603938 /nfs/dbraw/zinc/60/39/38/1025603938.db2.gz SPMBUZYAYWJYKT-GXTWGEPZSA-N 1 2 343.496 3.893 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCc3sccc31)CC2 ZINC000530293436 1025603950 /nfs/dbraw/zinc/60/39/50/1025603950.db2.gz SPMBUZYAYWJYKT-GXTWGEPZSA-N 1 2 343.496 3.893 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281870465 1025616220 /nfs/dbraw/zinc/61/62/20/1025616220.db2.gz CPPPLGPVCQADTN-HNNXBMFYSA-N 1 2 343.858 3.893 20 0 EHADLO COc1cc(C)c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000530310494 1025632791 /nfs/dbraw/zinc/63/27/91/1025632791.db2.gz LLWMGZJQNSZQFR-CQSZACIVSA-N 1 2 341.455 3.902 20 0 EHADLO COc1cc(C)c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000530310494 1025632798 /nfs/dbraw/zinc/63/27/98/1025632798.db2.gz LLWMGZJQNSZQFR-CQSZACIVSA-N 1 2 341.455 3.902 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000521741054 1025646981 /nfs/dbraw/zinc/64/69/81/1025646981.db2.gz STTQLJFVQUYQOY-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@H]3c3cccnc3)nc(N)c2c1C ZINC000329203151 1025664250 /nfs/dbraw/zinc/66/42/50/1025664250.db2.gz CNGHYJMOZJIQBP-AWEZNQCLSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@H]3c3cccnc3)nc(N)c2c1C ZINC000329203151 1025664258 /nfs/dbraw/zinc/66/42/58/1025664258.db2.gz CNGHYJMOZJIQBP-AWEZNQCLSA-N 1 2 339.468 3.622 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000515847443 1025672679 /nfs/dbraw/zinc/67/26/79/1025672679.db2.gz QNIGZVXBHCWAQI-GOSISDBHSA-N 1 2 338.455 3.739 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179369577 1025672779 /nfs/dbraw/zinc/67/27/79/1025672779.db2.gz FBFIEDOZRPEBIL-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179369577 1025672791 /nfs/dbraw/zinc/67/27/91/1025672791.db2.gz FBFIEDOZRPEBIL-AWEZNQCLSA-N 1 2 331.847 3.893 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892233479 1025695002 /nfs/dbraw/zinc/69/50/02/1025695002.db2.gz RLQRIKNMRXTRID-QGZVFWFLSA-N 1 2 327.403 3.595 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1nccn1C1CC1)c1ccc(F)cc1 ZINC000892233479 1025695008 /nfs/dbraw/zinc/69/50/08/1025695008.db2.gz RLQRIKNMRXTRID-QGZVFWFLSA-N 1 2 327.403 3.595 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000443085230 1025695862 /nfs/dbraw/zinc/69/58/62/1025695862.db2.gz ALZDFHQZMALLBK-HOCLYGCPSA-N 1 2 344.434 3.779 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(F)c1 ZINC000347242994 1025718829 /nfs/dbraw/zinc/71/88/29/1025718829.db2.gz YGBUMFLVPFZTIR-RDTXWAMCSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(F)c1 ZINC000347242994 1025718844 /nfs/dbraw/zinc/71/88/44/1025718844.db2.gz YGBUMFLVPFZTIR-RDTXWAMCSA-N 1 2 327.403 3.551 20 0 EHADLO O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342472451 1025725739 /nfs/dbraw/zinc/72/57/39/1025725739.db2.gz IRMFKNRMRFDDGD-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1 ZINC000443162955 1025757302 /nfs/dbraw/zinc/75/73/02/1025757302.db2.gz WDHIJQTVVFSTQR-UHFFFAOYSA-N 1 2 329.831 3.520 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1 ZINC000443162955 1025757315 /nfs/dbraw/zinc/75/73/15/1025757315.db2.gz WDHIJQTVVFSTQR-UHFFFAOYSA-N 1 2 329.831 3.520 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccccc1Cl ZINC000505830890 1025759985 /nfs/dbraw/zinc/75/99/85/1025759985.db2.gz HUVQCGFJFCTDFZ-OAHLLOKOSA-N 1 2 344.842 3.679 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccccc1Cl ZINC000505830890 1025759998 /nfs/dbraw/zinc/75/99/98/1025759998.db2.gz HUVQCGFJFCTDFZ-OAHLLOKOSA-N 1 2 344.842 3.679 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281947035 1025778022 /nfs/dbraw/zinc/77/80/22/1025778022.db2.gz LTUBNQXZXMOWKU-KBPBESRZSA-N 1 2 344.484 3.782 20 0 EHADLO CCC[C@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425569074 1025778638 /nfs/dbraw/zinc/77/86/38/1025778638.db2.gz KEHXGADCLGNACC-KRWDZBQOSA-N 1 2 327.428 3.640 20 0 EHADLO O=S(=O)(CC[N@H+](Cc1ccoc1)C1CCCCC1)c1ccccc1 ZINC000303955455 1025847449 /nfs/dbraw/zinc/84/74/49/1025847449.db2.gz XBZCEMAINDFVCE-UHFFFAOYSA-N 1 2 347.480 3.888 20 0 EHADLO O=S(=O)(CC[N@@H+](Cc1ccoc1)C1CCCCC1)c1ccccc1 ZINC000303955455 1025847466 /nfs/dbraw/zinc/84/74/66/1025847466.db2.gz XBZCEMAINDFVCE-UHFFFAOYSA-N 1 2 347.480 3.888 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1Cl ZINC000353237957 1025862577 /nfs/dbraw/zinc/86/25/77/1025862577.db2.gz WKVLSUYUKQVBSW-ZDUSSCGKSA-N 1 2 336.794 3.623 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1Cl ZINC000353237957 1025862599 /nfs/dbraw/zinc/86/25/99/1025862599.db2.gz WKVLSUYUKQVBSW-ZDUSSCGKSA-N 1 2 336.794 3.623 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(OC2CCCCC2)c1 ZINC000474927465 1025875068 /nfs/dbraw/zinc/87/50/68/1025875068.db2.gz PULZJHVWTKFXTR-UHFFFAOYSA-N 1 2 349.434 3.976 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC000530470914 1025877405 /nfs/dbraw/zinc/87/74/05/1025877405.db2.gz LZLJROIEYOUXEX-OWCLPIDISA-N 1 2 341.455 3.877 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2ccc(F)c3ccccc23)[nH+]c1C ZINC000896906964 1025890089 /nfs/dbraw/zinc/89/00/89/1025890089.db2.gz ZHQRFGFXZQNFIH-UHFFFAOYSA-N 1 2 325.387 3.568 20 0 EHADLO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474923373 1025892207 /nfs/dbraw/zinc/89/22/07/1025892207.db2.gz DTTXICIXVAMHKV-JKSUJKDBSA-N 1 2 328.460 3.688 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+]3CC4(CCCC4)OC(C)(C)C3)n2)c1 ZINC000443310539 1025899326 /nfs/dbraw/zinc/89/93/26/1025899326.db2.gz JRULFBXDWDPLNJ-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+]3CC4(CCCC4)OC(C)(C)C3)n2)c1 ZINC000443310539 1025899342 /nfs/dbraw/zinc/89/93/42/1025899342.db2.gz JRULFBXDWDPLNJ-UHFFFAOYSA-N 1 2 341.455 3.969 20 0 EHADLO CC1(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000428332818 1025910955 /nfs/dbraw/zinc/91/09/55/1025910955.db2.gz SNAZGKKOJNEASE-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO CC1(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000428332818 1025910970 /nfs/dbraw/zinc/91/09/70/1025910970.db2.gz SNAZGKKOJNEASE-UHFFFAOYSA-N 1 2 341.480 3.830 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2OC(C)C)c1C ZINC000051614388 1025922463 /nfs/dbraw/zinc/92/24/63/1025922463.db2.gz SATZWRISFYLGTD-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CNc3ccc(Cl)cc3)C2)s1 ZINC000896734567 1025938909 /nfs/dbraw/zinc/93/89/09/1025938909.db2.gz SWERNJYUSPXYSP-ZDUSSCGKSA-N 1 2 336.892 3.824 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@@H](CNc3ccc(Cl)cc3)C2)s1 ZINC000896734567 1025938919 /nfs/dbraw/zinc/93/89/19/1025938919.db2.gz SWERNJYUSPXYSP-ZDUSSCGKSA-N 1 2 336.892 3.824 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2F)C(C)C)c1 ZINC000522084612 1025957725 /nfs/dbraw/zinc/95/77/25/1025957725.db2.gz VKUYNHAXRZDDMB-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)c1 ZINC000522084612 1025957743 /nfs/dbraw/zinc/95/77/43/1025957743.db2.gz VKUYNHAXRZDDMB-UHFFFAOYSA-N 1 2 328.431 3.661 20 0 EHADLO CCCc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000516071185 1025973875 /nfs/dbraw/zinc/97/38/75/1025973875.db2.gz FVAQKAFYKGQOAN-HNNXBMFYSA-N 1 2 337.427 3.611 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[C@H]1C ZINC000451474125 1025989401 /nfs/dbraw/zinc/98/94/01/1025989401.db2.gz YFFGGNVOQUPDFB-BDXSIMOUSA-N 1 2 343.515 3.998 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000896779003 1026002042 /nfs/dbraw/zinc/00/20/42/1026002042.db2.gz ZUJKQYNWQOZQSY-GFCCVEGCSA-N 1 2 337.427 3.689 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c[nH+]1 ZINC000896788181 1026018540 /nfs/dbraw/zinc/01/85/40/1026018540.db2.gz XGGQVSLZGOPVLB-MRXNPFEDSA-N 1 2 348.450 3.866 20 0 EHADLO COCc1csc(CNc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000657405686 1026020402 /nfs/dbraw/zinc/02/04/02/1026020402.db2.gz HUBBYZLRWDUIAZ-UHFFFAOYSA-N 1 2 343.452 3.782 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896920889 1026037802 /nfs/dbraw/zinc/03/78/02/1026037802.db2.gz VVBOTBJGMYYOTA-STQMWFEESA-N 1 2 338.238 3.753 20 0 EHADLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)cc1Cl ZINC000375693321 1026039785 /nfs/dbraw/zinc/03/97/85/1026039785.db2.gz RMWFIZAYYVIVAG-UHFFFAOYSA-N 1 2 343.858 3.751 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)o1 ZINC000522156688 1026041396 /nfs/dbraw/zinc/04/13/96/1026041396.db2.gz WNKXVXWAHFKCMR-ZDUSSCGKSA-N 1 2 327.384 3.539 20 0 EHADLO CCc1noc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)n1 ZINC000101545354 1026099516 /nfs/dbraw/zinc/09/95/16/1026099516.db2.gz ZNYVEDUKJOXVLZ-UHFFFAOYSA-N 1 2 336.233 3.564 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000451549086 1026100545 /nfs/dbraw/zinc/10/05/45/1026100545.db2.gz VWJNQEBZQXCMJH-XHDPSFHLSA-N 1 2 342.270 3.888 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000451549086 1026100552 /nfs/dbraw/zinc/10/05/52/1026100552.db2.gz VWJNQEBZQXCMJH-XHDPSFHLSA-N 1 2 342.270 3.888 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516192596 1026100936 /nfs/dbraw/zinc/10/09/36/1026100936.db2.gz FURXIVSANZQBER-YOEHRIQHSA-N 1 2 329.444 3.501 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516192596 1026100943 /nfs/dbraw/zinc/10/09/43/1026100943.db2.gz FURXIVSANZQBER-YOEHRIQHSA-N 1 2 329.444 3.501 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564083 1026118654 /nfs/dbraw/zinc/11/86/54/1026118654.db2.gz LIIKLCXIWIEQPF-XHDPSFHLSA-N 1 2 342.842 3.553 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564083 1026118665 /nfs/dbraw/zinc/11/86/65/1026118665.db2.gz LIIKLCXIWIEQPF-XHDPSFHLSA-N 1 2 342.842 3.553 20 0 EHADLO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436732015 1026122322 /nfs/dbraw/zinc/12/23/22/1026122322.db2.gz BLDKVCUQKRYXPO-UHFFFAOYSA-N 1 2 342.842 3.523 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)s1 ZINC000451570796 1026123590 /nfs/dbraw/zinc/12/35/90/1026123590.db2.gz QCEKLHKNRMGQOI-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)s1 ZINC000451570796 1026123597 /nfs/dbraw/zinc/12/35/97/1026123597.db2.gz QCEKLHKNRMGQOI-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO COc1cccc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c1OC(C)C ZINC000896939505 1026126897 /nfs/dbraw/zinc/12/68/97/1026126897.db2.gz IKEBQQHBQQMFGK-UHFFFAOYSA-N 1 2 341.455 3.572 20 0 EHADLO COc1cccc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c1OC(C)C ZINC000896939505 1026126904 /nfs/dbraw/zinc/12/69/04/1026126904.db2.gz IKEBQQHBQQMFGK-UHFFFAOYSA-N 1 2 341.455 3.572 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3cn(C4CCC4)nn3)CCCC2)c(F)c1 ZINC000657417902 1026133627 /nfs/dbraw/zinc/13/36/27/1026133627.db2.gz CGAMTIOETGRNET-UHFFFAOYSA-N 1 2 332.398 3.840 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc3ccccc3c2O)[C@@H](c2ccccc2)C1 ZINC000436753728 1026141265 /nfs/dbraw/zinc/14/12/65/1026141265.db2.gz GADUGKOYZKPXIU-HXUWFJFHSA-N 1 2 346.430 3.674 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc3ccccc3c2O)[C@@H](c2ccccc2)C1 ZINC000436753728 1026141270 /nfs/dbraw/zinc/14/12/70/1026141270.db2.gz GADUGKOYZKPXIU-HXUWFJFHSA-N 1 2 346.430 3.674 20 0 EHADLO CCCCCn1nc(C)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000530658377 1026193761 /nfs/dbraw/zinc/19/37/61/1026193761.db2.gz ATPGIGZSZTXZHE-UHFFFAOYSA-N 1 2 339.443 3.519 20 0 EHADLO Cc1cccc(C2(NC(=O)NCc3ccn4cc[nH+]c4c3)CCCC2)c1 ZINC000475116758 1026195204 /nfs/dbraw/zinc/19/52/04/1026195204.db2.gz KFJMUQBFSFPOHS-UHFFFAOYSA-N 1 2 348.450 3.911 20 0 EHADLO COCC[C@H]([NH2+]Cc1nnc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000451698127 1026218127 /nfs/dbraw/zinc/21/81/27/1026218127.db2.gz YFXGBULKIFXSFM-ZDUSSCGKSA-N 1 2 345.390 3.733 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 ZINC000657426786 1026240034 /nfs/dbraw/zinc/24/00/34/1026240034.db2.gz KYHRNMXEFOMBLB-CQSZACIVSA-N 1 2 331.284 3.859 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000111231711 1026241293 /nfs/dbraw/zinc/24/12/93/1026241293.db2.gz KLKFAGYGXKADHO-RYUDHWBXSA-N 1 2 348.415 3.759 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000111231711 1026241304 /nfs/dbraw/zinc/24/13/04/1026241304.db2.gz KLKFAGYGXKADHO-RYUDHWBXSA-N 1 2 348.415 3.759 20 0 EHADLO CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2[nH+]1 ZINC000530717846 1026241232 /nfs/dbraw/zinc/24/12/32/1026241232.db2.gz TZMUAXSVFIKNPL-UHFFFAOYSA-N 1 2 329.425 3.706 20 0 EHADLO CCOC1CC2(C[C@H]2c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000866908369 1026243489 /nfs/dbraw/zinc/24/34/89/1026243489.db2.gz DWPIQPVDSHLVMC-WUJZJPHMSA-N 1 2 336.395 3.595 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724081 1026250712 /nfs/dbraw/zinc/25/07/12/1026250712.db2.gz IPZRCFUMKSHFTF-DOTOQJQBSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724081 1026250727 /nfs/dbraw/zinc/25/07/27/1026250727.db2.gz IPZRCFUMKSHFTF-DOTOQJQBSA-N 1 2 332.492 3.904 20 0 EHADLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000451738556 1026254026 /nfs/dbraw/zinc/25/40/26/1026254026.db2.gz SUVYKIUGFRTSKM-MRXNPFEDSA-N 1 2 341.904 3.692 20 0 EHADLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000451738556 1026254033 /nfs/dbraw/zinc/25/40/33/1026254033.db2.gz SUVYKIUGFRTSKM-MRXNPFEDSA-N 1 2 341.904 3.692 20 0 EHADLO COc1ccc(F)c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000530802899 1026306225 /nfs/dbraw/zinc/30/62/25/1026306225.db2.gz AKWYKCJYTRTUJH-INIZCTEOSA-N 1 2 336.794 3.729 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+](C)CCSC)cs2)cc1 ZINC000152535262 1026308221 /nfs/dbraw/zinc/30/82/21/1026308221.db2.gz NKZAMCBBOZZWNP-UHFFFAOYSA-N 1 2 338.498 3.526 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+](C)CCSC)cs2)cc1 ZINC000152535262 1026308235 /nfs/dbraw/zinc/30/82/35/1026308235.db2.gz NKZAMCBBOZZWNP-UHFFFAOYSA-N 1 2 338.498 3.526 20 0 EHADLO Cc1[nH]nc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C ZINC000530814577 1026314805 /nfs/dbraw/zinc/31/48/05/1026314805.db2.gz BOPWGVJAJBWDIJ-UHFFFAOYSA-N 1 2 348.450 3.667 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342579734 1026339794 /nfs/dbraw/zinc/33/97/94/1026339794.db2.gz ZGTXDMAWNWYFMD-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847837 1026343642 /nfs/dbraw/zinc/34/36/42/1026343642.db2.gz YTTAPSVQVRYJNH-BEFAXECRSA-N 1 2 336.435 3.784 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847837 1026343653 /nfs/dbraw/zinc/34/36/53/1026343653.db2.gz YTTAPSVQVRYJNH-BEFAXECRSA-N 1 2 336.435 3.784 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cn1 ZINC000451885444 1026353583 /nfs/dbraw/zinc/35/35/83/1026353583.db2.gz FLPCDCLECYNBRM-AWEZNQCLSA-N 1 2 326.469 3.801 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278925 1026430182 /nfs/dbraw/zinc/43/01/82/1026430182.db2.gz LUMHRJTZRFHGOJ-ONGXEEELSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278925 1026430184 /nfs/dbraw/zinc/43/01/84/1026430184.db2.gz LUMHRJTZRFHGOJ-ONGXEEELSA-N 1 2 331.769 3.999 20 0 EHADLO Cn1c(C[NH2+]Cc2ccc3c(n2)CCCC3)nc2ccc(Cl)cc21 ZINC000277654757 1026457542 /nfs/dbraw/zinc/45/75/42/1026457542.db2.gz FWIBNYDVUGUNBT-UHFFFAOYSA-N 1 2 340.858 3.790 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000342623801 1026499680 /nfs/dbraw/zinc/49/96/80/1026499680.db2.gz LORFWFROTXZLQI-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nncn1-c1ccccc1)CCCO2 ZINC000152668483 1026505524 /nfs/dbraw/zinc/50/55/24/1026505524.db2.gz ZNPDBBVOPFJPFD-SFHVURJKSA-N 1 2 334.423 3.579 20 0 EHADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccoc1 ZINC000342627067 1026509588 /nfs/dbraw/zinc/50/95/88/1026509588.db2.gz CDWRQJDJOXPTCB-GFCCVEGCSA-N 1 2 338.810 3.551 20 0 EHADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000342627067 1026509596 /nfs/dbraw/zinc/50/95/96/1026509596.db2.gz CDWRQJDJOXPTCB-GFCCVEGCSA-N 1 2 338.810 3.551 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475367433 1026525052 /nfs/dbraw/zinc/52/50/52/1026525052.db2.gz GQHAKKQGSJQKTR-QGZVFWFLSA-N 1 2 328.460 3.835 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475381546 1026543306 /nfs/dbraw/zinc/54/33/06/1026543306.db2.gz NLZNFWJAWSZEPU-KRWDZBQOSA-N 1 2 328.460 3.835 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(Cl)cc2cccnc21)C1CCC1 ZINC000342639847 1026546645 /nfs/dbraw/zinc/54/66/45/1026546645.db2.gz PAKQAWMTRUKRAM-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CCC1 ZINC000342639847 1026546654 /nfs/dbraw/zinc/54/66/54/1026546654.db2.gz PAKQAWMTRUKRAM-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO O=C(CC1CC(F)(F)C1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211407 1026576689 /nfs/dbraw/zinc/57/66/89/1026576689.db2.gz ZJCXNKFKWLKSIF-UHFFFAOYSA-N 1 2 339.773 3.577 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC=CCC3)n2)C1 ZINC000523023544 1026579056 /nfs/dbraw/zinc/57/90/56/1026579056.db2.gz OUUSAHUPZDZUKM-UONOGXRCSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC=CCC3)n2)C1 ZINC000523023544 1026579065 /nfs/dbraw/zinc/57/90/65/1026579065.db2.gz OUUSAHUPZDZUKM-UONOGXRCSA-N 1 2 334.489 3.605 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684921242 1026619957 /nfs/dbraw/zinc/61/99/57/1026619957.db2.gz QDADZMVMVWDXFR-UHFFFAOYSA-N 1 2 332.492 3.639 20 0 EHADLO Cc1cc(N2CCN(c3ccc4ccccc4n3)CC2)nc(C(C)C)[nH+]1 ZINC000301058711 1026669496 /nfs/dbraw/zinc/66/94/96/1026669496.db2.gz DGYOCKMVKQCNIY-UHFFFAOYSA-N 1 2 347.466 3.783 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531200848 1026682213 /nfs/dbraw/zinc/68/22/13/1026682213.db2.gz IOSLMHPWPIPIQK-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531200848 1026682218 /nfs/dbraw/zinc/68/22/18/1026682218.db2.gz IOSLMHPWPIPIQK-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)c1 ZINC000152769965 1026702780 /nfs/dbraw/zinc/70/27/80/1026702780.db2.gz RJVUHGYDZUCANR-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccco1 ZINC000184510932 1026710142 /nfs/dbraw/zinc/71/01/42/1026710142.db2.gz FKFPPNHGGOHDKQ-CYBMUJFWSA-N 1 2 344.636 3.909 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccnn2CC2CC2)c2ccco2)cc1 ZINC000657486772 1026723292 /nfs/dbraw/zinc/72/32/92/1026723292.db2.gz JKGQFASZEGACCC-HXUWFJFHSA-N 1 2 337.423 3.774 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c(C)n1C ZINC000531255124 1026739038 /nfs/dbraw/zinc/73/90/38/1026739038.db2.gz QGVBPDPORUXRQB-UHFFFAOYSA-N 1 2 340.467 3.676 20 0 EHADLO COc1cccc(Nc2nnc(SCc3cc[nH+]c(N)c3)s2)c1 ZINC000193052528 1026747785 /nfs/dbraw/zinc/74/77/85/1026747785.db2.gz YUDPVQCWCGLJTB-UHFFFAOYSA-N 1 2 345.453 3.560 20 0 EHADLO CC(C)c1noc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000301342367 1026769411 /nfs/dbraw/zinc/76/94/11/1026769411.db2.gz QXTPNIIOIBCRNJ-ZDUSSCGKSA-N 1 2 334.851 3.730 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@@H](OC)C1 ZINC000301375026 1026780738 /nfs/dbraw/zinc/78/07/38/1026780738.db2.gz VMFTVJRTBQNNQL-OAHLLOKOSA-N 1 2 342.439 3.644 20 0 EHADLO CNc1ccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c[nH+]1 ZINC000301384017 1026786913 /nfs/dbraw/zinc/78/69/13/1026786913.db2.gz WCEKKZNVPUDCGY-UHFFFAOYSA-N 1 2 346.316 3.738 20 0 EHADLO c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCC2CC2)cc1 ZINC000122846449 1026793898 /nfs/dbraw/zinc/79/38/98/1026793898.db2.gz QCNVBSQGWKCTSR-UHFFFAOYSA-N 1 2 328.485 3.755 20 0 EHADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898627 1026808635 /nfs/dbraw/zinc/80/86/35/1026808635.db2.gz LTVSTJCXGQIJFQ-HUUCEWRRSA-N 1 2 344.528 3.864 20 0 EHADLO CCc1nccn1[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898627 1026808654 /nfs/dbraw/zinc/80/86/54/1026808654.db2.gz LTVSTJCXGQIJFQ-HUUCEWRRSA-N 1 2 344.528 3.864 20 0 EHADLO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898627 1026808662 /nfs/dbraw/zinc/80/86/62/1026808662.db2.gz LTVSTJCXGQIJFQ-HUUCEWRRSA-N 1 2 344.528 3.864 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000531325963 1026815034 /nfs/dbraw/zinc/81/50/34/1026815034.db2.gz GWMNFTZUZLSIPX-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301509523 1026833437 /nfs/dbraw/zinc/83/34/37/1026833437.db2.gz KFGKZRLNEULJMN-LBPRGKRZSA-N 1 2 348.903 3.952 20 0 EHADLO COc1ccccc1CN(c1cc(N2CCCCC2)[nH+]cn1)C1CC1 ZINC000301516547 1026835091 /nfs/dbraw/zinc/83/50/91/1026835091.db2.gz JXOQKAUYDUCKOE-UHFFFAOYSA-N 1 2 338.455 3.645 20 0 EHADLO COc1ccccc1CN(c1cc(N2CCCCC2)nc[nH+]1)C1CC1 ZINC000301516547 1026835101 /nfs/dbraw/zinc/83/51/01/1026835101.db2.gz JXOQKAUYDUCKOE-UHFFFAOYSA-N 1 2 338.455 3.645 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(=O)[nH]1 ZINC000277765646 1026849785 /nfs/dbraw/zinc/84/97/85/1026849785.db2.gz SATMXLVWFLTCPS-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccccc1F ZINC000025416724 1026859374 /nfs/dbraw/zinc/85/93/74/1026859374.db2.gz SQDRTWCNHGMGBB-HXUWFJFHSA-N 1 2 335.382 3.538 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301590686 1026865967 /nfs/dbraw/zinc/86/59/67/1026865967.db2.gz XKWFIHWJAPVTBP-LBPRGKRZSA-N 1 2 348.903 3.952 20 0 EHADLO Cc1cc[nH+]c(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000301661543 1026891806 /nfs/dbraw/zinc/89/18/06/1026891806.db2.gz UQTNMEQHKDVIFE-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1cc[nH+]c(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000301661544 1026892108 /nfs/dbraw/zinc/89/21/08/1026892108.db2.gz UQTNMEQHKDVIFE-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(C)c(C)[nH+]1 ZINC000301668382 1026893611 /nfs/dbraw/zinc/89/36/11/1026893611.db2.gz DDYKRJIQAVKGII-MRXNPFEDSA-N 1 2 335.810 3.772 20 0 EHADLO Cc1nc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c(C)c(C)[nH+]1 ZINC000301706109 1026908963 /nfs/dbraw/zinc/90/89/63/1026908963.db2.gz VNCOYICJISEJAX-UHFFFAOYSA-N 1 2 348.853 3.517 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531437223 1026917184 /nfs/dbraw/zinc/91/71/84/1026917184.db2.gz UXAVIEZLYUODOR-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531437223 1026917196 /nfs/dbraw/zinc/91/71/96/1026917196.db2.gz UXAVIEZLYUODOR-UHFFFAOYSA-N 1 2 328.803 3.564 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000301743296 1026923723 /nfs/dbraw/zinc/92/37/23/1026923723.db2.gz FXMSIDXGAVKJBH-UHFFFAOYSA-N 1 2 343.500 3.562 20 0 EHADLO c1ccc([C@H](CNc2cc(N3CCSCC3)nc[nH+]2)C2CC2)cc1 ZINC000431472198 1026949756 /nfs/dbraw/zinc/94/97/56/1026949756.db2.gz NQWBUDSSOHTHDW-KRWDZBQOSA-N 1 2 340.496 3.636 20 0 EHADLO c1ccc([C@H](CNc2cc(N3CCSCC3)[nH+]cn2)C2CC2)cc1 ZINC000431472198 1026949764 /nfs/dbraw/zinc/94/97/64/1026949764.db2.gz NQWBUDSSOHTHDW-KRWDZBQOSA-N 1 2 340.496 3.636 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1nc(-c2ccccc2)c[nH]1 ZINC000301831461 1026955589 /nfs/dbraw/zinc/95/55/89/1026955589.db2.gz IJMVHGPLIBJFCR-UHFFFAOYSA-N 1 2 347.426 3.584 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc(Cl)s1 ZINC000301867051 1026971411 /nfs/dbraw/zinc/97/14/11/1026971411.db2.gz GIIWFAUOJINBCN-UHFFFAOYSA-N 1 2 335.864 3.951 20 0 EHADLO Cc1c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccn1C ZINC000684983614 1026972609 /nfs/dbraw/zinc/97/26/09/1026972609.db2.gz FEYRPBGDZJJQQD-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO CC(C)c1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301873558 1026973976 /nfs/dbraw/zinc/97/39/76/1026973976.db2.gz QXEZVNGFDIJYSR-AWEZNQCLSA-N 1 2 348.491 3.827 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000305789949 1026985090 /nfs/dbraw/zinc/98/50/90/1026985090.db2.gz ZRQSJWYMZLRIMJ-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO COc1ccc(OC)c([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000302057799 1027038695 /nfs/dbraw/zinc/03/86/95/1027038695.db2.gz RIIHEUVVFMZQFB-GFCCVEGCSA-N 1 2 327.428 3.854 20 0 EHADLO Cc1cc(NCC(C)(C)C(=O)OC(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000302070210 1027043722 /nfs/dbraw/zinc/04/37/22/1027043722.db2.gz XYOKQJJGZPNFJO-UHFFFAOYSA-N 1 2 342.443 3.627 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@H](c4nccs4)C3)nc[nH+]2)C1 ZINC000302074288 1027044670 /nfs/dbraw/zinc/04/46/70/1027044670.db2.gz VODXTMQJOPIVGF-CABCVRRESA-N 1 2 343.500 3.553 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@H](c4nccs4)C3)[nH+]cn2)C1 ZINC000302074288 1027044677 /nfs/dbraw/zinc/04/46/77/1027044677.db2.gz VODXTMQJOPIVGF-CABCVRRESA-N 1 2 343.500 3.553 20 0 EHADLO Cn1c2ccc(Nc3nccn(C4CC4)c3=O)cc2[nH+]c1C(C)(C)C ZINC000302074757 1027045112 /nfs/dbraw/zinc/04/51/12/1027045112.db2.gz XFLYKDCIPATNGF-UHFFFAOYSA-N 1 2 337.427 3.506 20 0 EHADLO CC[N@H+](Cc1nc(Cc2cccc(OC(F)(F)F)c2)no1)C1CC1 ZINC000650629717 1027050823 /nfs/dbraw/zinc/05/08/23/1027050823.db2.gz SONOXUXTDDSLDJ-UHFFFAOYSA-N 1 2 341.333 3.543 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2cccc(OC(F)(F)F)c2)no1)C1CC1 ZINC000650629717 1027050833 /nfs/dbraw/zinc/05/08/33/1027050833.db2.gz SONOXUXTDDSLDJ-UHFFFAOYSA-N 1 2 341.333 3.543 20 0 EHADLO Cc1nc(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000302099285 1027052153 /nfs/dbraw/zinc/05/21/53/1027052153.db2.gz PIPKBCWYUFZELG-KZULUSFZSA-N 1 2 329.419 3.727 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000074769711 1027073415 /nfs/dbraw/zinc/07/34/15/1027073415.db2.gz YCNAMFLTAGNMTG-SJLPKXTDSA-N 1 2 340.471 3.547 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1F ZINC000123279633 1027083129 /nfs/dbraw/zinc/08/31/29/1027083129.db2.gz FLYBPFXNPWGFDM-BBRMVZONSA-N 1 2 346.377 3.533 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000302190086 1027083885 /nfs/dbraw/zinc/08/38/85/1027083885.db2.gz VJWZYAKSQKLEEF-KGLIPLIRSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000302190086 1027083892 /nfs/dbraw/zinc/08/38/92/1027083892.db2.gz VJWZYAKSQKLEEF-KGLIPLIRSA-N 1 2 346.862 3.654 20 0 EHADLO CCCn1c(CNC[C@@H](c2cccs2)[NH+](C)C)nc2ccccc21 ZINC000237028788 1027119243 /nfs/dbraw/zinc/11/92/43/1027119243.db2.gz AWRFRDQPLCVITF-KRWDZBQOSA-N 1 2 342.512 3.900 20 0 EHADLO Nc1nc(N2CC=C(c3c(F)cccc3F)CC2)[nH+]c2ccccc12 ZINC000302302802 1027121487 /nfs/dbraw/zinc/12/14/87/1027121487.db2.gz YXHCPRLRXQMSFP-UHFFFAOYSA-N 1 2 338.361 3.784 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000075409168 1027127815 /nfs/dbraw/zinc/12/78/15/1027127815.db2.gz MXNFBSCZYYKTCB-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO CCOc1ccc2c(c1)[C@H](Nc1cc(NCC3CC3)[nH+]cn1)CCO2 ZINC000302352495 1027131058 /nfs/dbraw/zinc/13/10/58/1027131058.db2.gz DKPSQYMBMMLFEO-MRXNPFEDSA-N 1 2 340.427 3.633 20 0 EHADLO CCOc1ccc2c(c1)[C@H](Nc1cc(NCC3CC3)nc[nH+]1)CCO2 ZINC000302352495 1027131060 /nfs/dbraw/zinc/13/10/60/1027131060.db2.gz DKPSQYMBMMLFEO-MRXNPFEDSA-N 1 2 340.427 3.633 20 0 EHADLO CC(C)c1n[nH]c(CC2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)n1 ZINC000639717040 1027140190 /nfs/dbraw/zinc/14/01/90/1027140190.db2.gz VQAQPRKDUUZLLW-UHFFFAOYSA-N 1 2 345.491 3.668 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531646 1027142881 /nfs/dbraw/zinc/14/28/81/1027142881.db2.gz OVMAVCYRYQSEOS-KRWDZBQOSA-N 1 2 340.471 3.666 20 0 EHADLO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(Cl)sc2Cl)C(C)C)C1 ZINC001140589844 1027143813 /nfs/dbraw/zinc/14/38/13/1027143813.db2.gz UNMAYARSGZZOGM-GFCCVEGCSA-N 1 2 335.300 3.886 20 0 EHADLO CC(=O)N1CC[C@@H]([N@H+](Cc2cc(Cl)sc2Cl)C(C)C)C1 ZINC001140589844 1027143820 /nfs/dbraw/zinc/14/38/20/1027143820.db2.gz UNMAYARSGZZOGM-GFCCVEGCSA-N 1 2 335.300 3.886 20 0 EHADLO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1C(C)(C)C ZINC000075534525 1027146626 /nfs/dbraw/zinc/14/66/26/1027146626.db2.gz BLPNPUXVTIQTCN-AWEZNQCLSA-N 1 2 343.475 3.504 20 0 EHADLO COc1cccc2c(NCCCNC(=O)c3cccs3)cc[nH+]c12 ZINC000302468955 1027158938 /nfs/dbraw/zinc/15/89/38/1027158938.db2.gz TWOYJAPWLVKWKW-UHFFFAOYSA-N 1 2 341.436 3.537 20 0 EHADLO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554527 1027168219 /nfs/dbraw/zinc/16/82/19/1027168219.db2.gz LKTNXRJKMKDBMI-OAHLLOKOSA-N 1 2 346.434 3.855 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556075 1027170413 /nfs/dbraw/zinc/17/04/13/1027170413.db2.gz SSDTWZGBACIKNO-GFCCVEGCSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555133 1027172055 /nfs/dbraw/zinc/17/20/55/1027172055.db2.gz LCZABADSMWBDCO-KRWDZBQOSA-N 1 2 341.455 3.627 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555584 1027172119 /nfs/dbraw/zinc/17/21/19/1027172119.db2.gz RBJFUFLXZFBNAE-NSHDSACASA-N 1 2 338.238 3.665 20 0 EHADLO CCc1cc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nc(C)[nH+]1 ZINC000272918599 1027178239 /nfs/dbraw/zinc/17/82/39/1027178239.db2.gz SQDGIUUUBZGXSJ-CQSZACIVSA-N 1 2 346.500 3.679 20 0 EHADLO CCn1ccnc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126231749 1027179848 /nfs/dbraw/zinc/17/98/48/1027179848.db2.gz XZNKRJYAAUPWAW-ZDUSSCGKSA-N 1 2 340.254 3.863 20 0 EHADLO CCn1ccnc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126231749 1027179862 /nfs/dbraw/zinc/17/98/62/1027179862.db2.gz XZNKRJYAAUPWAW-ZDUSSCGKSA-N 1 2 340.254 3.863 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2nc(CC(F)(F)F)no2)c1 ZINC000075674497 1027190661 /nfs/dbraw/zinc/19/06/61/1027190661.db2.gz NKYXNDZSPBNYHA-LBPRGKRZSA-N 1 2 327.350 3.984 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2nc(CC(F)(F)F)no2)c1 ZINC000075674497 1027190671 /nfs/dbraw/zinc/19/06/71/1027190671.db2.gz NKYXNDZSPBNYHA-LBPRGKRZSA-N 1 2 327.350 3.984 20 0 EHADLO Cc1occc1CN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640173937 1027198044 /nfs/dbraw/zinc/19/80/44/1027198044.db2.gz XVYXJWATEFAICP-UHFFFAOYSA-N 1 2 338.411 3.866 20 0 EHADLO CCN(C[C@@H]1CCOC1)c1[nH+]ccc2cc(Br)ccc21 ZINC000665708121 1027224724 /nfs/dbraw/zinc/22/47/24/1027224724.db2.gz LKIUOCADIBMRBF-LBPRGKRZSA-N 1 2 335.245 3.860 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1sc(C2CC2)nc1-c1ccccc1 ZINC000531704131 1027228184 /nfs/dbraw/zinc/22/81/84/1027228184.db2.gz RGVBZIQNQPRYLS-UHFFFAOYSA-N 1 2 338.436 3.649 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076074688 1027234942 /nfs/dbraw/zinc/23/49/42/1027234942.db2.gz BVPFJFXGUKPMKW-ZWKOTPCHSA-N 1 2 340.471 3.739 20 0 EHADLO Cc1cccc([C@@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000273040155 1027238963 /nfs/dbraw/zinc/23/89/63/1027238963.db2.gz DUQMWUHXSYUCKM-OAQYLSRUSA-N 1 2 345.446 3.870 20 0 EHADLO CN(C(=O)C[N@@H+]1CC[C@@](C)(F)C1)C(c1ccccc1)c1ccccc1 ZINC000501415859 1027258451 /nfs/dbraw/zinc/25/84/51/1027258451.db2.gz GBKKAFMGEUZBOG-OAQYLSRUSA-N 1 2 340.442 3.668 20 0 EHADLO CN(C(=O)C[N@H+]1CC[C@@](C)(F)C1)C(c1ccccc1)c1ccccc1 ZINC000501415859 1027258460 /nfs/dbraw/zinc/25/84/60/1027258460.db2.gz GBKKAFMGEUZBOG-OAQYLSRUSA-N 1 2 340.442 3.668 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@](C)(F)C2)cc1 ZINC000501418984 1027270688 /nfs/dbraw/zinc/27/06/88/1027270688.db2.gz MLZOLSZSKGUSQH-UYAOXDASSA-N 1 2 348.462 3.573 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@](C)(F)C2)cc1 ZINC000501418984 1027270698 /nfs/dbraw/zinc/27/06/98/1027270698.db2.gz MLZOLSZSKGUSQH-UYAOXDASSA-N 1 2 348.462 3.573 20 0 EHADLO CCc1cc(C[NH2+][C@H](C)c2ccc(F)cc2Br)on1 ZINC000531723196 1027271663 /nfs/dbraw/zinc/27/16/63/1027271663.db2.gz FJPVKMPKUGRTQW-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429393 1027276866 /nfs/dbraw/zinc/27/68/66/1027276866.db2.gz YCANIKOXEXSOBQ-MEBBXXQBSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429393 1027276888 /nfs/dbraw/zinc/27/68/88/1027276888.db2.gz YCANIKOXEXSOBQ-MEBBXXQBSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@]1(F)CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428754 1027277877 /nfs/dbraw/zinc/27/78/77/1027277877.db2.gz UNYJKYCGLZQCBL-CTNGQTDRSA-N 1 2 340.442 3.521 20 0 EHADLO C[C@]1(F)CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000501428754 1027277892 /nfs/dbraw/zinc/27/78/92/1027277892.db2.gz UNYJKYCGLZQCBL-CTNGQTDRSA-N 1 2 340.442 3.521 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000273130231 1027278307 /nfs/dbraw/zinc/27/83/07/1027278307.db2.gz IPQWAFJNBGCRCZ-JTQLQIEISA-N 1 2 345.390 3.892 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501433016 1027279005 /nfs/dbraw/zinc/27/90/05/1027279005.db2.gz FLYBGQONGOQLIS-IERDGZPVSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@](C)(F)C1 ZINC000501433016 1027279020 /nfs/dbraw/zinc/27/90/20/1027279020.db2.gz FLYBGQONGOQLIS-IERDGZPVSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501433018 1027280722 /nfs/dbraw/zinc/28/07/22/1027280722.db2.gz FLYBGQONGOQLIS-KKSFZXQISA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@](C)(F)C1 ZINC000501433018 1027280733 /nfs/dbraw/zinc/28/07/33/1027280733.db2.gz FLYBGQONGOQLIS-KKSFZXQISA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc2ccccc21 ZINC000302798444 1027296555 /nfs/dbraw/zinc/29/65/55/1027296555.db2.gz RLMVZJCKFACXTA-OAHLLOKOSA-N 1 2 334.423 3.640 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc2ccccc21 ZINC000302798444 1027296564 /nfs/dbraw/zinc/29/65/64/1027296564.db2.gz RLMVZJCKFACXTA-OAHLLOKOSA-N 1 2 334.423 3.640 20 0 EHADLO CC(C)[C@H](CNc1cc(N2CCCC2)nc[nH+]1)Nc1ccccc1 ZINC000302805023 1027302420 /nfs/dbraw/zinc/30/24/20/1027302420.db2.gz WKPKJBFKHIOFMI-KRWDZBQOSA-N 1 2 325.460 3.625 20 0 EHADLO CC(C)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)Nc1ccccc1 ZINC000302805023 1027302438 /nfs/dbraw/zinc/30/24/38/1027302438.db2.gz WKPKJBFKHIOFMI-KRWDZBQOSA-N 1 2 325.460 3.625 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302820366 1027310714 /nfs/dbraw/zinc/31/07/14/1027310714.db2.gz CXYOWRRNUPKFML-YJBOKZPZSA-N 1 2 344.846 3.672 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302820366 1027310721 /nfs/dbraw/zinc/31/07/21/1027310721.db2.gz CXYOWRRNUPKFML-YJBOKZPZSA-N 1 2 344.846 3.672 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000511191808 1027330656 /nfs/dbraw/zinc/33/06/56/1027330656.db2.gz JGIACUUWYAJNCI-BSIFCXSSSA-N 1 2 349.478 3.812 20 0 EHADLO Cc1ccc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)cc1F ZINC000302913315 1027358638 /nfs/dbraw/zinc/35/86/38/1027358638.db2.gz UOBDNUGAYODVFR-CYBMUJFWSA-N 1 2 332.448 3.650 20 0 EHADLO Cc1ccc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)cc1F ZINC000302913315 1027358662 /nfs/dbraw/zinc/35/86/62/1027358662.db2.gz UOBDNUGAYODVFR-CYBMUJFWSA-N 1 2 332.448 3.650 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H](C)[S@]1=O ZINC000414445057 1027382854 /nfs/dbraw/zinc/38/28/54/1027382854.db2.gz VTLUJNNITHJLOB-QEXXDVAHSA-N 1 2 333.419 3.745 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H](C)[S@]1=O ZINC000414445057 1027382875 /nfs/dbraw/zinc/38/28/75/1027382875.db2.gz VTLUJNNITHJLOB-QEXXDVAHSA-N 1 2 333.419 3.745 20 0 EHADLO CCCc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046003688 1027385650 /nfs/dbraw/zinc/38/56/50/1027385650.db2.gz GCLLMVCRRCBCRE-UHFFFAOYSA-N 1 2 338.455 3.825 20 0 EHADLO CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077497842 1027420662 /nfs/dbraw/zinc/42/06/62/1027420662.db2.gz MLRABGVACLXWTD-GFCCVEGCSA-N 1 2 347.850 3.541 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496418 1027422749 /nfs/dbraw/zinc/42/27/49/1027422749.db2.gz PILFOLJXWJHCIO-SUMWQHHRSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1c(F)cccc1Cl ZINC000475496418 1027422757 /nfs/dbraw/zinc/42/27/57/1027422757.db2.gz PILFOLJXWJHCIO-SUMWQHHRSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000128981699 1027507339 /nfs/dbraw/zinc/50/73/39/1027507339.db2.gz LEVFYUFASGBLFU-KGLIPLIRSA-N 1 2 334.510 3.819 20 0 EHADLO COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC001168069275 1027531500 /nfs/dbraw/zinc/53/15/00/1027531500.db2.gz YVCXEDDMZXTGLM-SMDDNHRTSA-N 1 2 343.333 3.596 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000469897775 1027532048 /nfs/dbraw/zinc/53/20/48/1027532048.db2.gz NHMXHFOKVBGCGA-UHFFFAOYSA-N 1 2 342.349 3.921 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000129327819 1027545896 /nfs/dbraw/zinc/54/58/96/1027545896.db2.gz RJFMJFIZTHGMED-MRXNPFEDSA-N 1 2 328.481 3.884 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000129327587 1027547652 /nfs/dbraw/zinc/54/76/52/1027547652.db2.gz RJFMJFIZTHGMED-INIZCTEOSA-N 1 2 328.481 3.884 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC=C(c3ccccc3)C2)c1Br ZINC000342834601 1027556422 /nfs/dbraw/zinc/55/64/22/1027556422.db2.gz GFFVAGRBVCAZMA-UHFFFAOYSA-N 1 2 346.272 3.780 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC=C(c3ccccc3)C2)c1Br ZINC000342834601 1027556430 /nfs/dbraw/zinc/55/64/30/1027556430.db2.gz GFFVAGRBVCAZMA-UHFFFAOYSA-N 1 2 346.272 3.780 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434187917 1027598039 /nfs/dbraw/zinc/59/80/39/1027598039.db2.gz DGADOWCFSSJJQX-VQIMIIECSA-N 1 2 345.487 3.993 20 0 EHADLO Cc1ccccc1Cc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000273796147 1027629987 /nfs/dbraw/zinc/62/99/87/1027629987.db2.gz VNZXANCBPGUNHW-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO Cc1ccccc1Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000273796147 1027629995 /nfs/dbraw/zinc/62/99/95/1027629995.db2.gz VNZXANCBPGUNHW-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO Cc1cc(CNC(=O)N(CCc2cccc(F)c2)C2CC2)cc(C)[nH+]1 ZINC000422199453 1027632506 /nfs/dbraw/zinc/63/25/06/1027632506.db2.gz DRQQDSAIMIPIRI-UHFFFAOYSA-N 1 2 341.430 3.754 20 0 EHADLO Cc1cccc([C@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000151948876 1027636852 /nfs/dbraw/zinc/63/68/52/1027636852.db2.gz NRYPBNHERUYBJV-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1cc(C)[nH+]c(C)c1)CCC2 ZINC000422207276 1027638088 /nfs/dbraw/zinc/63/80/88/1027638088.db2.gz LTKXHLXXWNFGAJ-MRXNPFEDSA-N 1 2 344.484 3.682 20 0 EHADLO Fc1c(C[NH2+]Cc2nc3c(s2)CCCC3)cccc1OC1CC1 ZINC000657621410 1027659813 /nfs/dbraw/zinc/65/98/13/1027659813.db2.gz QGCOPXKXZRAXBW-UHFFFAOYSA-N 1 2 332.444 3.992 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000119333665 1027661372 /nfs/dbraw/zinc/66/13/72/1027661372.db2.gz ZFWQCATVRJQSIK-FQEVSTJZSA-N 1 2 346.430 3.709 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000119333665 1027661374 /nfs/dbraw/zinc/66/13/74/1027661374.db2.gz ZFWQCATVRJQSIK-FQEVSTJZSA-N 1 2 346.430 3.709 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCCOc2ccccc2)n1 ZINC000119376157 1027673673 /nfs/dbraw/zinc/67/36/73/1027673673.db2.gz FYZPFQQVBHRDQA-CQSZACIVSA-N 1 2 335.473 3.785 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCOc2ccccc2)n1 ZINC000119376157 1027673681 /nfs/dbraw/zinc/67/36/81/1027673681.db2.gz FYZPFQQVBHRDQA-CQSZACIVSA-N 1 2 335.473 3.785 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000611718260 1027681967 /nfs/dbraw/zinc/68/19/67/1027681967.db2.gz SJFUYQVGNWUFIO-QGZVFWFLSA-N 1 2 346.862 3.843 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000130752660 1027699457 /nfs/dbraw/zinc/69/94/57/1027699457.db2.gz CHISBMDGDHWBDK-FQEVSTJZSA-N 1 2 345.446 3.675 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3C)ccc2OC)CCO1 ZINC000459341263 1027705903 /nfs/dbraw/zinc/70/59/03/1027705903.db2.gz JNGKQPLUWCLSDG-IBGZPJMESA-N 1 2 341.451 3.518 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3C)ccc2OC)CCO1 ZINC000459341263 1027705920 /nfs/dbraw/zinc/70/59/20/1027705920.db2.gz JNGKQPLUWCLSDG-IBGZPJMESA-N 1 2 341.451 3.518 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc(C)[nH+]1 ZINC000420753943 1027711117 /nfs/dbraw/zinc/71/11/17/1027711117.db2.gz AREOTLXPZHMEBR-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO CCc1cccc(OCC[NH2+]C2(c3noc(C)n3)CCCCC2)c1 ZINC000533351344 1027719657 /nfs/dbraw/zinc/71/96/57/1027719657.db2.gz YJUXDZKSCMMJIK-UHFFFAOYSA-N 1 2 329.444 3.768 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)CCC(F)(F)F ZINC000533355566 1027726762 /nfs/dbraw/zinc/72/67/62/1027726762.db2.gz UZEXSHRPBOSHOB-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)CCC(F)(F)F ZINC000533355566 1027726778 /nfs/dbraw/zinc/72/67/78/1027726778.db2.gz UZEXSHRPBOSHOB-SECBINFHSA-N 1 2 342.283 3.917 20 0 EHADLO CCC(CC)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000503376215 1027760229 /nfs/dbraw/zinc/76/02/29/1027760229.db2.gz NXNCAICIWPBGGM-IBGZPJMESA-N 1 2 340.471 3.970 20 0 EHADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000246120519 1027771247 /nfs/dbraw/zinc/77/12/47/1027771247.db2.gz CYDDKIOAWFXULL-MNZLEMJZSA-N 1 2 340.471 3.555 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000342873533 1027789671 /nfs/dbraw/zinc/78/96/71/1027789671.db2.gz VUBGVUUIKNGARY-HXUWFJFHSA-N 1 2 348.402 3.537 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCOc2ccccc2Cl)cc(C)[nH+]1 ZINC000420856128 1027799723 /nfs/dbraw/zinc/79/97/23/1027799723.db2.gz XIBVEFMEPYNPKC-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)c(C)cc2Br)cc[nH+]1 ZINC000389465974 1027799949 /nfs/dbraw/zinc/79/99/49/1027799949.db2.gz ZHDHDZAZINWLTD-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Cc1cc(CNC(=O)NCCc2ccc(F)cc2Cl)cc(C)[nH+]1 ZINC000420912179 1027856263 /nfs/dbraw/zinc/85/62/63/1027856263.db2.gz HWLLXWITYBITAL-UHFFFAOYSA-N 1 2 335.810 3.533 20 0 EHADLO CC(NC(=O)[C@H]1CCn2c[nH+]cc2C1)(c1ccccc1)c1ccccc1 ZINC000132119519 1027877931 /nfs/dbraw/zinc/87/79/31/1027877931.db2.gz WJUMLXNVIAONIG-KRWDZBQOSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420957142 1027925265 /nfs/dbraw/zinc/92/52/65/1027925265.db2.gz ZIADKCOPXIADGY-CMPLNLGQSA-N 1 2 349.422 3.751 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420957142 1027925279 /nfs/dbraw/zinc/92/52/79/1027925279.db2.gz ZIADKCOPXIADGY-CMPLNLGQSA-N 1 2 349.422 3.751 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428366546 1027929709 /nfs/dbraw/zinc/92/97/09/1027929709.db2.gz YLVDWKGBIOAGLG-UXHICEINSA-N 1 2 341.451 3.999 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428366546 1027929718 /nfs/dbraw/zinc/92/97/18/1027929718.db2.gz YLVDWKGBIOAGLG-UXHICEINSA-N 1 2 341.451 3.999 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000420970425 1027948257 /nfs/dbraw/zinc/94/82/57/1027948257.db2.gz IQYOHTXWGMRMRS-CYBMUJFWSA-N 1 2 325.790 3.559 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000420970425 1027948260 /nfs/dbraw/zinc/94/82/60/1027948260.db2.gz IQYOHTXWGMRMRS-CYBMUJFWSA-N 1 2 325.790 3.559 20 0 EHADLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132754327 1027962444 /nfs/dbraw/zinc/96/24/44/1027962444.db2.gz NRFDYTPZQCXPHX-INIZCTEOSA-N 1 2 339.439 3.543 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C)nn(C)c1Cl)CCC2 ZINC000133406661 1028026781 /nfs/dbraw/zinc/02/67/81/1028026781.db2.gz AAYNHGNHJFLYEO-ZDUSSCGKSA-N 1 2 338.908 3.910 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(C)nn(C)c1Cl)CCC2 ZINC000133406661 1028026785 /nfs/dbraw/zinc/02/67/85/1028026785.db2.gz AAYNHGNHJFLYEO-ZDUSSCGKSA-N 1 2 338.908 3.910 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000444571951 1028043500 /nfs/dbraw/zinc/04/35/00/1028043500.db2.gz KZTHJJZIASRACM-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000444571951 1028043520 /nfs/dbraw/zinc/04/35/20/1028043520.db2.gz KZTHJJZIASRACM-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(F)ccc2OC(F)F)cc(C)[nH+]1 ZINC000421067988 1028052140 /nfs/dbraw/zinc/05/21/40/1028052140.db2.gz NEFXRLVNZBOXKQ-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO CCC1(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000533543462 1028054688 /nfs/dbraw/zinc/05/46/88/1028054688.db2.gz DDPJFNVVZJCYNQ-GOSISDBHSA-N 1 2 340.471 3.873 20 0 EHADLO Cc1csc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000455355313 1028056899 /nfs/dbraw/zinc/05/68/99/1028056899.db2.gz PCSMHBOEGUOMRZ-UHFFFAOYSA-N 1 2 346.500 3.655 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1O ZINC000459372593 1028058955 /nfs/dbraw/zinc/05/89/55/1028058955.db2.gz KKTOFJYRZRPCKJ-MAUKXSAKSA-N 1 2 327.424 3.753 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1O ZINC000459372593 1028058973 /nfs/dbraw/zinc/05/89/73/1028058973.db2.gz KKTOFJYRZRPCKJ-MAUKXSAKSA-N 1 2 327.424 3.753 20 0 EHADLO O=C(Cc1csc2ccc(Cl)cc12)NCCCCn1cc[nH+]c1 ZINC000533556771 1028076140 /nfs/dbraw/zinc/07/61/40/1028076140.db2.gz LEOPPVCHLYHMNT-UHFFFAOYSA-N 1 2 347.871 3.890 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000152483486 1028079686 /nfs/dbraw/zinc/07/96/86/1028079686.db2.gz HKSPSPLKDPXRLR-AWEZNQCLSA-N 1 2 331.847 3.532 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1ncnc3sc4c(c31)CCC4)CCC2 ZINC000533560873 1028087397 /nfs/dbraw/zinc/08/73/97/1028087397.db2.gz XOFXLGGASLVHAG-LBPRGKRZSA-N 1 2 339.468 3.674 20 0 EHADLO Cc1cccc(C2=CC[N@H+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000444686079 1028130760 /nfs/dbraw/zinc/13/07/60/1028130760.db2.gz UZKKULRDJVYZCQ-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000444686079 1028130772 /nfs/dbraw/zinc/13/07/72/1028130772.db2.gz UZKKULRDJVYZCQ-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000353663555 1028131847 /nfs/dbraw/zinc/13/18/47/1028131847.db2.gz CUOLFUNFTSWHHU-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000444714449 1028157126 /nfs/dbraw/zinc/15/71/26/1028157126.db2.gz JTILPASRECLCCR-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000444714449 1028157134 /nfs/dbraw/zinc/15/71/34/1028157134.db2.gz JTILPASRECLCCR-INIZCTEOSA-N 1 2 338.451 3.965 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1C ZINC000444689021 1028160485 /nfs/dbraw/zinc/16/04/85/1028160485.db2.gz DZDLRJUXTRYJTN-UKRRQHHQSA-N 1 2 336.501 3.822 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1C ZINC000444689021 1028160501 /nfs/dbraw/zinc/16/05/01/1028160501.db2.gz DZDLRJUXTRYJTN-UKRRQHHQSA-N 1 2 336.501 3.822 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C ZINC000444692145 1028165483 /nfs/dbraw/zinc/16/54/83/1028165483.db2.gz BBZSESOOSCZFOF-CQSZACIVSA-N 1 2 330.394 3.972 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C ZINC000444692145 1028165498 /nfs/dbraw/zinc/16/54/98/1028165498.db2.gz BBZSESOOSCZFOF-CQSZACIVSA-N 1 2 330.394 3.972 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000444706958 1028182333 /nfs/dbraw/zinc/18/23/33/1028182333.db2.gz PEWZLOOIJMOVKK-AWEZNQCLSA-N 1 2 339.361 3.629 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000444706958 1028182345 /nfs/dbraw/zinc/18/23/45/1028182345.db2.gz PEWZLOOIJMOVKK-AWEZNQCLSA-N 1 2 339.361 3.629 20 0 EHADLO CC(C)COc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414505628 1028190223 /nfs/dbraw/zinc/19/02/23/1028190223.db2.gz MGOHLKITHUDOIM-UHFFFAOYSA-N 1 2 339.361 3.820 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c(C)[nH+]1 ZINC000455475020 1028208236 /nfs/dbraw/zinc/20/82/36/1028208236.db2.gz DIXYSOMBWHCLCI-NVXWUHKLSA-N 1 2 333.476 3.970 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccc(F)c(F)c2F)c(C)[nH+]1 ZINC000455475624 1028208546 /nfs/dbraw/zinc/20/85/46/1028208546.db2.gz DKXOBJAZTOXLLF-UHFFFAOYSA-N 1 2 337.345 3.788 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000153562000 1028210396 /nfs/dbraw/zinc/21/03/96/1028210396.db2.gz ZLTQGFGBRUIQQB-SUMWQHHRSA-N 1 2 345.830 3.659 20 0 EHADLO Cn1c[nH+]cc1CN1CC2(CCC2)c2cc(Br)ccc21 ZINC000444724498 1028216359 /nfs/dbraw/zinc/21/63/59/1028216359.db2.gz ZGUMVRKUHOKJKE-UHFFFAOYSA-N 1 2 332.245 3.625 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1cscn1 ZINC000423133140 1028217664 /nfs/dbraw/zinc/21/76/64/1028217664.db2.gz VNHLQTBWXIRHLB-QGZVFWFLSA-N 1 2 345.468 3.741 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727117 1028219104 /nfs/dbraw/zinc/21/91/04/1028219104.db2.gz POFTVLVPHCDIRV-WZRBSPASSA-N 1 2 334.382 3.668 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727117 1028219118 /nfs/dbraw/zinc/21/91/18/1028219118.db2.gz POFTVLVPHCDIRV-WZRBSPASSA-N 1 2 334.382 3.668 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2Cl)CCN1 ZINC000054395076 1028230766 /nfs/dbraw/zinc/23/07/66/1028230766.db2.gz NBDQUXMIKOCPCM-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2Cl)CCN1 ZINC000054395076 1028230783 /nfs/dbraw/zinc/23/07/83/1028230783.db2.gz NBDQUXMIKOCPCM-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444747445 1028235771 /nfs/dbraw/zinc/23/57/71/1028235771.db2.gz ZDEGAXWPNKAROO-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444747445 1028235787 /nfs/dbraw/zinc/23/57/87/1028235787.db2.gz ZDEGAXWPNKAROO-CQSZACIVSA-N 1 2 342.414 3.796 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CC(c2cccc(F)c2)C1 ZINC000523363980 1028236436 /nfs/dbraw/zinc/23/64/36/1028236436.db2.gz MIRYCRVQIIDIAM-UHFFFAOYSA-N 1 2 349.409 3.821 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c(C)[nH+]1 ZINC000455498153 1028240836 /nfs/dbraw/zinc/24/08/36/1028240836.db2.gz RCQHCTWRYVYNMU-UHFFFAOYSA-N 1 2 345.393 3.991 20 0 EHADLO COc1cccc(O[C@@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455485668 1028251808 /nfs/dbraw/zinc/25/18/08/1028251808.db2.gz KCAMCJDCLBALJY-AWEZNQCLSA-N 1 2 343.427 3.604 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000055052768 1028256725 /nfs/dbraw/zinc/25/67/25/1028256725.db2.gz XSZLIIGWMAAUSK-IBGZPJMESA-N 1 2 326.440 3.556 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000055052768 1028256744 /nfs/dbraw/zinc/25/67/44/1028256744.db2.gz XSZLIIGWMAAUSK-IBGZPJMESA-N 1 2 326.440 3.556 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H]3c3c(C)n[nH]c3C)o2)c(C)o1 ZINC000091081950 1028257524 /nfs/dbraw/zinc/25/75/24/1028257524.db2.gz GWRXHZPTLTXNDK-HNNXBMFYSA-N 1 2 341.415 3.623 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H]3c3c(C)n[nH]c3C)o2)c(C)o1 ZINC000091081950 1028257541 /nfs/dbraw/zinc/25/75/41/1028257541.db2.gz GWRXHZPTLTXNDK-HNNXBMFYSA-N 1 2 341.415 3.623 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548778804 1028259326 /nfs/dbraw/zinc/25/93/26/1028259326.db2.gz ZGOFYEPNXMUQGU-HNNXBMFYSA-N 1 2 341.459 3.759 20 0 EHADLO COc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1NC(C)=O ZINC000455491207 1028263537 /nfs/dbraw/zinc/26/35/37/1028263537.db2.gz YCQAKIDXKGIXFQ-UHFFFAOYSA-N 1 2 342.399 3.618 20 0 EHADLO COc1ccc2ccccc2c1C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421324814 1028269882 /nfs/dbraw/zinc/26/98/82/1028269882.db2.gz CKGHZERMTGWYNJ-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000455513478 1028291136 /nfs/dbraw/zinc/29/11/36/1028291136.db2.gz IPVBNYVSSRXCHB-SUMWQHHRSA-N 1 2 345.468 3.892 20 0 EHADLO Cc1c(Cl)c(C[NH+]2CCC(OCc3ccccc3)CC2)nn1C ZINC000421334664 1028301144 /nfs/dbraw/zinc/30/11/44/1028301144.db2.gz ZNMQJTBQOWFCSM-UHFFFAOYSA-N 1 2 333.863 3.563 20 0 EHADLO CCC1CCC(N(CCO)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455528673 1028301489 /nfs/dbraw/zinc/30/14/89/1028301489.db2.gz QZYNRGMTTTZMOU-UHFFFAOYSA-N 1 2 333.476 3.802 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)N(C(C)C)C(C)C)c2c1 ZINC000195581171 1028301629 /nfs/dbraw/zinc/30/16/29/1028301629.db2.gz NXSSIUQYZSESSL-UHFFFAOYSA-N 1 2 330.428 3.576 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000151900914 1028302534 /nfs/dbraw/zinc/30/25/34/1028302534.db2.gz ZZTRYSXKTXXONN-HNNXBMFYSA-N 1 2 347.528 3.807 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287865 1028304051 /nfs/dbraw/zinc/30/40/51/1028304051.db2.gz SZPMTMBKHJNMQP-WMZOPIPTSA-N 1 2 344.503 3.661 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287970 1028305592 /nfs/dbraw/zinc/30/55/92/1028305592.db2.gz SZPMTMBKHJNMQP-FUHWJXTLSA-N 1 2 344.503 3.661 20 0 EHADLO C[C@H](CCC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000137342930 1028310432 /nfs/dbraw/zinc/31/04/32/1028310432.db2.gz MADVMNXIEMAWBS-QGZVFWFLSA-N 1 2 337.467 3.751 20 0 EHADLO CC(C)Oc1cccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000066644017 1028335405 /nfs/dbraw/zinc/33/54/05/1028335405.db2.gz GTJMOBONOSSPKI-VOTSOKGWSA-N 1 2 339.439 3.547 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C)C1CCCCC1 ZINC000523449469 1028346823 /nfs/dbraw/zinc/34/68/23/1028346823.db2.gz KCAPSLMLWFDQLM-OAHLLOKOSA-N 1 2 332.463 3.926 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C)C1CCCCC1 ZINC000523449469 1028346840 /nfs/dbraw/zinc/34/68/40/1028346840.db2.gz KCAPSLMLWFDQLM-OAHLLOKOSA-N 1 2 332.463 3.926 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c[nH+]1 ZINC000455540282 1028354092 /nfs/dbraw/zinc/35/40/92/1028354092.db2.gz FLJCBNZHZLZRKE-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cc(N)nc(SCc2ncc(-c3cccc(Cl)c3)o2)[nH+]1 ZINC000029913985 1028382739 /nfs/dbraw/zinc/38/27/39/1028382739.db2.gz ZGZUKACCUDPSBC-UHFFFAOYSA-N 1 2 332.816 3.968 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc(C4CC4)nc3)[C@H](C)CO2)c1 ZINC000459378015 1028400891 /nfs/dbraw/zinc/40/08/91/1028400891.db2.gz PFEFWHKQYWLHMS-UZLBHIALSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc(C4CC4)nc3)[C@H](C)CO2)c1 ZINC000459378015 1028400899 /nfs/dbraw/zinc/40/08/99/1028400899.db2.gz PFEFWHKQYWLHMS-UZLBHIALSA-N 1 2 337.467 3.933 20 0 EHADLO O=C(Nc1cccc2cnccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614340 1028415332 /nfs/dbraw/zinc/41/53/32/1028415332.db2.gz YAKCIHZXSCLDQN-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1ccc(-c3scnc3C)cc1)C2 ZINC000897333136 1028420879 /nfs/dbraw/zinc/42/08/79/1028420879.db2.gz BMMDOIIZBHGYGR-UHFFFAOYSA-N 1 2 338.480 3.893 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1ccc(-c3scnc3C)cc1)C2 ZINC000897333136 1028420892 /nfs/dbraw/zinc/42/08/92/1028420892.db2.gz BMMDOIIZBHGYGR-UHFFFAOYSA-N 1 2 338.480 3.893 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cs1 ZINC000061050744 1028424436 /nfs/dbraw/zinc/42/44/36/1028424436.db2.gz UBDIOJUMBITDIU-UHFFFAOYSA-N 1 2 349.544 3.665 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000444973474 1028434432 /nfs/dbraw/zinc/43/44/32/1028434432.db2.gz DPDRNQIQBUTHEU-UHFFFAOYSA-N 1 2 337.427 3.885 20 0 EHADLO CCn1cnc2c1CC[N@H+](Cc1cc(-c3ccncc3)ccc1OC)C2 ZINC000897334173 1028462450 /nfs/dbraw/zinc/46/24/50/1028462450.db2.gz MQSBCWCWYMZUAE-UHFFFAOYSA-N 1 2 348.450 3.532 20 0 EHADLO CCn1cnc2c1CC[N@@H+](Cc1cc(-c3ccncc3)ccc1OC)C2 ZINC000897334173 1028462458 /nfs/dbraw/zinc/46/24/58/1028462458.db2.gz MQSBCWCWYMZUAE-UHFFFAOYSA-N 1 2 348.450 3.532 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1cnn(C)c1 ZINC000162127995 1028467644 /nfs/dbraw/zinc/46/76/44/1028467644.db2.gz AGBVSHFXSDRVRD-SNVBAGLBSA-N 1 2 334.395 3.673 20 0 EHADLO COc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475619663 1028474837 /nfs/dbraw/zinc/47/48/37/1028474837.db2.gz ATAUUZXTBBEVOU-OAHLLOKOSA-N 1 2 326.223 3.825 20 0 EHADLO COc1cnc(Br)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213086465 1028481362 /nfs/dbraw/zinc/48/13/62/1028481362.db2.gz QNWHJJCSGXTXQL-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000246442055 1028512198 /nfs/dbraw/zinc/51/21/98/1028512198.db2.gz ISQXNWNGYDDOLY-NJAFHUGGSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000246442055 1028512207 /nfs/dbraw/zinc/51/22/07/1028512207.db2.gz ISQXNWNGYDDOLY-NJAFHUGGSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162256528 1028534407 /nfs/dbraw/zinc/53/44/07/1028534407.db2.gz RBBUPRVRZPEQRY-LBPRGKRZSA-N 1 2 340.414 3.571 20 0 EHADLO Cc1cc(CNC(=O)COc2c(Cl)cccc2Cl)cc(C)[nH+]1 ZINC000421553737 1028551405 /nfs/dbraw/zinc/55/14/05/1028551405.db2.gz FFLBQGOWIWPPCH-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO CCOc1cc(CN2CCc3c([nH+]cn3CC)C2)cc(Cl)c1OC ZINC000897336621 1028559737 /nfs/dbraw/zinc/55/97/37/1028559737.db2.gz JFVMOPVHGRVSAK-UHFFFAOYSA-N 1 2 349.862 3.522 20 0 EHADLO CC[N@H+](Cc1occc1C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000414532296 1028561125 /nfs/dbraw/zinc/56/11/25/1028561125.db2.gz ARQGOGGUJITNHG-UHFFFAOYSA-N 1 2 345.365 3.593 20 0 EHADLO CC[N@@H+](Cc1occc1C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000414532296 1028561139 /nfs/dbraw/zinc/56/11/39/1028561139.db2.gz ARQGOGGUJITNHG-UHFFFAOYSA-N 1 2 345.365 3.593 20 0 EHADLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccs1 ZINC000115043488 1028582215 /nfs/dbraw/zinc/58/22/15/1028582215.db2.gz IKEVUOPIXSLJAI-UHFFFAOYSA-N 1 2 343.427 3.667 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000342999142 1028589614 /nfs/dbraw/zinc/58/96/14/1028589614.db2.gz LGVKNDVLIJNTHC-UHFFFAOYSA-N 1 2 344.499 3.697 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000342999142 1028589618 /nfs/dbraw/zinc/58/96/18/1028589618.db2.gz LGVKNDVLIJNTHC-UHFFFAOYSA-N 1 2 344.499 3.697 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000074226900 1028601985 /nfs/dbraw/zinc/60/19/85/1028601985.db2.gz FSUFBMMMPUPOAM-UHFFFAOYSA-N 1 2 341.440 3.582 20 0 EHADLO CCc1nc([C@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cs1 ZINC000074594521 1028623513 /nfs/dbraw/zinc/62/35/13/1028623513.db2.gz DUOQZOPULMUUMU-ZDUSSCGKSA-N 1 2 340.452 3.691 20 0 EHADLO O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000195294306 1028626290 /nfs/dbraw/zinc/62/62/90/1028626290.db2.gz UEZISAXVAROUHG-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccncc1 ZINC000502750665 1028633032 /nfs/dbraw/zinc/63/30/32/1028633032.db2.gz PISYGHZJODPEHX-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccncc1 ZINC000502750665 1028633043 /nfs/dbraw/zinc/63/30/43/1028633043.db2.gz PISYGHZJODPEHX-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278044536 1028660377 /nfs/dbraw/zinc/66/03/77/1028660377.db2.gz LKBYASVUKSOQCH-CZUORRHYSA-N 1 2 345.468 3.693 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278044536 1028660386 /nfs/dbraw/zinc/66/03/86/1028660386.db2.gz LKBYASVUKSOQCH-CZUORRHYSA-N 1 2 345.468 3.693 20 0 EHADLO CCC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434157619 1028660961 /nfs/dbraw/zinc/66/09/61/1028660961.db2.gz PCPCGEFQUDMQFS-RTBURBONSA-N 1 2 345.487 3.993 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000728539628 1028665268 /nfs/dbraw/zinc/66/52/68/1028665268.db2.gz WYPYPPIFMGELKN-GOFCXVBSSA-N 1 2 329.831 3.804 20 0 EHADLO Cc1cc(NCCOc2cccc(Cl)c2Cl)nc(C2CC2)[nH+]1 ZINC000523874913 1028674840 /nfs/dbraw/zinc/67/48/40/1028674840.db2.gz COBQQZCXAVASIX-UHFFFAOYSA-N 1 2 338.238 3.882 20 0 EHADLO OCc1ccccc1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000548785801 1028691381 /nfs/dbraw/zinc/69/13/81/1028691381.db2.gz JSUPTIWCIRGMJG-UHFFFAOYSA-N 1 2 342.183 3.509 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000429737298 1028713345 /nfs/dbraw/zinc/71/33/45/1028713345.db2.gz LABBIWVPLUIFKB-GPMSIDNRSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122749629 1028730139 /nfs/dbraw/zinc/73/01/39/1028730139.db2.gz YFIFIUPTOLTLTA-RKVPGOIHSA-N 1 2 329.419 3.626 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c[nH+]1 ZINC000454320535 1028735217 /nfs/dbraw/zinc/73/52/17/1028735217.db2.gz MZXXYQKSGJLZBQ-UHFFFAOYSA-N 1 2 340.427 3.615 20 0 EHADLO C[C@@H]1CCN(C(=O)CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000122776851 1028738463 /nfs/dbraw/zinc/73/84/63/1028738463.db2.gz SEIMYCHDGZTLMR-ZBFHGGJFSA-N 1 2 347.459 3.614 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000245525939 1028768816 /nfs/dbraw/zinc/76/88/16/1028768816.db2.gz BPVJWORXDFVJBX-CABCVRRESA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000245525939 1028768826 /nfs/dbraw/zinc/76/88/26/1028768826.db2.gz BPVJWORXDFVJBX-CABCVRRESA-N 1 2 345.874 3.947 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)CC2 ZINC000502876212 1028768847 /nfs/dbraw/zinc/76/88/47/1028768847.db2.gz HRBXKRMHQNTUCE-AWEZNQCLSA-N 1 2 344.405 3.509 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)CC2 ZINC000502876212 1028768860 /nfs/dbraw/zinc/76/88/60/1028768860.db2.gz HRBXKRMHQNTUCE-AWEZNQCLSA-N 1 2 344.405 3.509 20 0 EHADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454339816 1028770831 /nfs/dbraw/zinc/77/08/31/1028770831.db2.gz PDINLUQSNOZSMN-UYAOXDASSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 ZINC000052085697 1028772686 /nfs/dbraw/zinc/77/26/86/1028772686.db2.gz HUDCSRPJJAHXCP-AWEZNQCLSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 ZINC000052085697 1028772698 /nfs/dbraw/zinc/77/26/98/1028772698.db2.gz HUDCSRPJJAHXCP-AWEZNQCLSA-N 1 2 343.500 3.890 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C)nc2C)c(C)c1 ZINC000532739698 1028777482 /nfs/dbraw/zinc/77/74/82/1028777482.db2.gz URVUKLWEDUKSBY-FQEVSTJZSA-N 1 2 348.450 3.683 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)s1 ZINC000247115294 1028783260 /nfs/dbraw/zinc/78/32/60/1028783260.db2.gz YNXQDBCEXJTSDA-KGLIPLIRSA-N 1 2 349.544 3.796 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)s1 ZINC000247115294 1028783274 /nfs/dbraw/zinc/78/32/74/1028783274.db2.gz YNXQDBCEXJTSDA-KGLIPLIRSA-N 1 2 349.544 3.796 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000502889553 1028784144 /nfs/dbraw/zinc/78/41/44/1028784144.db2.gz YNLPSBPUAJFIEO-QZTJIDSGSA-N 1 2 325.399 3.548 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000502889553 1028784153 /nfs/dbraw/zinc/78/41/53/1028784153.db2.gz YNLPSBPUAJFIEO-QZTJIDSGSA-N 1 2 325.399 3.548 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000502889555 1028784717 /nfs/dbraw/zinc/78/47/17/1028784717.db2.gz YNLPSBPUAJFIEO-ZWKOTPCHSA-N 1 2 325.399 3.548 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000502889555 1028784731 /nfs/dbraw/zinc/78/47/31/1028784731.db2.gz YNLPSBPUAJFIEO-ZWKOTPCHSA-N 1 2 325.399 3.548 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247665251 1028809529 /nfs/dbraw/zinc/80/95/29/1028809529.db2.gz QITWRIQDFIVULH-QRQLOZEOSA-N 1 2 325.456 3.732 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)c[nH+]1 ZINC000454378874 1028827285 /nfs/dbraw/zinc/82/72/85/1028827285.db2.gz DZEAKYPPFUWTQX-UHFFFAOYSA-N 1 2 340.427 3.615 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000424146415 1028831867 /nfs/dbraw/zinc/83/18/67/1028831867.db2.gz PRDKBQKRHZBKKG-LBPRGKRZSA-N 1 2 329.379 3.504 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccncc1Cl ZINC000421846033 1028869143 /nfs/dbraw/zinc/86/91/43/1028869143.db2.gz YMATXULNSZJAPL-MJBXVCDLSA-N 1 2 346.862 3.917 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCc2cccc(Cl)c2)c[nH+]1 ZINC000454413280 1028872052 /nfs/dbraw/zinc/87/20/52/1028872052.db2.gz VQVFQVPWZFLVDV-UHFFFAOYSA-N 1 2 331.847 3.784 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCCc1cccc2ccccc21 ZINC000502956996 1028914241 /nfs/dbraw/zinc/91/42/41/1028914241.db2.gz OXWKUDCFXNNVLX-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc(C)n1 ZINC000421896110 1028914449 /nfs/dbraw/zinc/91/44/49/1028914449.db2.gz ZHSLWBPJXCDQKE-JTQLQIEISA-N 1 2 326.263 3.768 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccccc2F)nnn1-c1ccc(F)cc1 ZINC000153936443 1028932209 /nfs/dbraw/zinc/93/22/09/1028932209.db2.gz BXUFASJGMUJDLZ-GFCCVEGCSA-N 1 2 328.366 3.705 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCOc2ccccc2C(C)C)c[nH+]1 ZINC000454476856 1028944515 /nfs/dbraw/zinc/94/45/15/1028944515.db2.gz CASROPQCHTYMFB-UHFFFAOYSA-N 1 2 341.455 3.700 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000123566281 1028953063 /nfs/dbraw/zinc/95/30/63/1028953063.db2.gz NPSCZMCMTSRTGO-UHFFFAOYSA-N 1 2 343.496 3.500 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000123566281 1028953083 /nfs/dbraw/zinc/95/30/83/1028953083.db2.gz NPSCZMCMTSRTGO-UHFFFAOYSA-N 1 2 343.496 3.500 20 0 EHADLO Cc1cc(C)n(-c2cccc(NC(=O)NCc3c[nH+]c(C)cc3C)c2)n1 ZINC000454486799 1028976823 /nfs/dbraw/zinc/97/68/23/1028976823.db2.gz OGKQJNVBRMWCGE-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(c3ccccc3C)CC2)n1 ZINC000076728413 1029039633 /nfs/dbraw/zinc/03/96/33/1029039633.db2.gz CBYCKULBDJEWRM-HNNXBMFYSA-N 1 2 329.444 3.855 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000076721857 1029039877 /nfs/dbraw/zinc/03/98/77/1029039877.db2.gz RSLCJPSRVPWAFP-SUMWQHHRSA-N 1 2 327.428 3.819 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000076721857 1029039896 /nfs/dbraw/zinc/03/98/96/1029039896.db2.gz RSLCJPSRVPWAFP-SUMWQHHRSA-N 1 2 327.428 3.819 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809446 1029048991 /nfs/dbraw/zinc/04/89/91/1029048991.db2.gz QSAACJNAJAUUBX-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809446 1029049007 /nfs/dbraw/zinc/04/90/07/1029049007.db2.gz QSAACJNAJAUUBX-GXTWGEPZSA-N 1 2 347.821 3.691 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000532944103 1029085770 /nfs/dbraw/zinc/08/57/70/1029085770.db2.gz SRIPVKCXUGSPSY-HNAYVOBHSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000532944103 1029085781 /nfs/dbraw/zinc/08/57/81/1029085781.db2.gz SRIPVKCXUGSPSY-HNAYVOBHSA-N 1 2 343.398 3.538 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)Sc2ccccc2)c[nH+]1 ZINC000454603100 1029092104 /nfs/dbraw/zinc/09/21/04/1029092104.db2.gz RWZNPDMHVIPLGE-OAHLLOKOSA-N 1 2 329.469 3.678 20 0 EHADLO CCc1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000504981370 1029095745 /nfs/dbraw/zinc/09/57/45/1029095745.db2.gz RQAZUSBEIOINJY-UHFFFAOYSA-N 1 2 349.434 3.798 20 0 EHADLO CC(C)(C)c1cnc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000532963917 1029106753 /nfs/dbraw/zinc/10/67/53/1029106753.db2.gz XSTWAWWPKMYPOH-YFHOEESVSA-N 1 2 339.483 3.803 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124064449 1029117731 /nfs/dbraw/zinc/11/77/31/1029117731.db2.gz GOLYRZUCSCWTEM-SMDDNHRTSA-N 1 2 338.238 3.913 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1ccn(-c2ccccc2F)n1 ZINC000445810116 1029145265 /nfs/dbraw/zinc/14/52/65/1029145265.db2.gz JQCIZDUEBIWQPS-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1ccn(-c2ccccc2F)n1 ZINC000445810116 1029145279 /nfs/dbraw/zinc/14/52/79/1029145279.db2.gz JQCIZDUEBIWQPS-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000271754218 1029155798 /nfs/dbraw/zinc/15/57/98/1029155798.db2.gz WUCOHWZEJMJGGF-GOSISDBHSA-N 1 2 331.423 3.558 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000271754218 1029155803 /nfs/dbraw/zinc/15/58/03/1029155803.db2.gz WUCOHWZEJMJGGF-GOSISDBHSA-N 1 2 331.423 3.558 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533023708 1029181248 /nfs/dbraw/zinc/18/12/48/1029181248.db2.gz FPTXFAFHRHGAPS-FQEVSTJZSA-N 1 2 338.451 3.502 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000271807588 1029181427 /nfs/dbraw/zinc/18/14/27/1029181427.db2.gz BCPULSPOVGJRJH-GOEBONIOSA-N 1 2 339.439 3.640 20 0 EHADLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000524450783 1029202944 /nfs/dbraw/zinc/20/29/44/1029202944.db2.gz FKHSJMVUHBOEAB-IBGZPJMESA-N 1 2 345.483 3.930 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000124386886 1029211443 /nfs/dbraw/zinc/21/14/43/1029211443.db2.gz HYHBLCYUFRSGGR-CZUORRHYSA-N 1 2 331.485 3.929 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000424652560 1029216811 /nfs/dbraw/zinc/21/68/11/1029216811.db2.gz WREIZGSOUZBXET-SFHVURJKSA-N 1 2 339.483 3.967 20 0 EHADLO C[C@H](Cn1cc(Br)cn1)Nc1ccc([NH+]2CCCC2)cc1 ZINC000271964584 1029248916 /nfs/dbraw/zinc/24/89/16/1029248916.db2.gz SDTWXILYVUGNGD-CYBMUJFWSA-N 1 2 349.276 3.746 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000533081227 1029289940 /nfs/dbraw/zinc/28/99/40/1029289940.db2.gz BXWMJMZQIDKBFD-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000533081227 1029289953 /nfs/dbraw/zinc/28/99/53/1029289953.db2.gz BXWMJMZQIDKBFD-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000079878582 1029292025 /nfs/dbraw/zinc/29/20/25/1029292025.db2.gz YOPRXAJFPBBXPI-KRWDZBQOSA-N 1 2 345.446 3.754 20 0 EHADLO CC(C)c1ccc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000524555690 1029313114 /nfs/dbraw/zinc/31/31/14/1029313114.db2.gz MAZCIZIOSJBQPK-UHFFFAOYSA-N 1 2 333.435 3.968 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(COc3ccccc3)CC2)n1 ZINC000065613435 1029315352 /nfs/dbraw/zinc/31/53/52/1029315352.db2.gz VOPSINWTAGPCHT-UHFFFAOYSA-N 1 2 329.444 3.658 20 0 EHADLO O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533089627 1029317267 /nfs/dbraw/zinc/31/72/67/1029317267.db2.gz ULSKAJWZCTUBIF-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000195732330 1029336017 /nfs/dbraw/zinc/33/60/17/1029336017.db2.gz KWWAVDCNGFBQCV-NSHDSACASA-N 1 2 328.250 3.784 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000195732330 1029336008 /nfs/dbraw/zinc/33/60/08/1029336008.db2.gz KWWAVDCNGFBQCV-NSHDSACASA-N 1 2 328.250 3.784 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000255056365 1029348286 /nfs/dbraw/zinc/34/82/86/1029348286.db2.gz VHKZAZPYASQXCF-XQRVVYSFSA-N 1 2 335.382 3.731 20 0 EHADLO CCc1cccc(C)c1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154915115 1029360784 /nfs/dbraw/zinc/36/07/84/1029360784.db2.gz LKNLHQMIJQVFRR-KRWDZBQOSA-N 1 2 338.455 3.743 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475639903 1029367246 /nfs/dbraw/zinc/36/72/46/1029367246.db2.gz QTPMBVAKWHCCTH-ZBFHGGJFSA-N 1 2 347.352 3.614 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000475639903 1029367260 /nfs/dbraw/zinc/36/72/60/1029367260.db2.gz QTPMBVAKWHCCTH-ZBFHGGJFSA-N 1 2 347.352 3.614 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000393330725 1029401104 /nfs/dbraw/zinc/40/11/04/1029401104.db2.gz INQQTCHONJJPOD-IAQYHMDHSA-N 1 2 334.261 3.911 20 0 EHADLO CC[C@H](C)Oc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272351401 1029430698 /nfs/dbraw/zinc/43/06/98/1029430698.db2.gz AKUFZLSYUUZWJH-YOEHRIQHSA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@H](C)Oc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272351401 1029430707 /nfs/dbraw/zinc/43/07/07/1029430707.db2.gz AKUFZLSYUUZWJH-YOEHRIQHSA-N 1 2 345.443 3.696 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(F)cc(F)c3)cn2c1 ZINC000078761041 1029440822 /nfs/dbraw/zinc/44/08/22/1029440822.db2.gz RWFDXGHEZJZTKJ-UHFFFAOYSA-N 1 2 347.390 3.793 20 0 EHADLO C[C@H]1CCc2nc(C[NH+]3CCN(c4ccccc4)CC3)sc2C1 ZINC000505321234 1029465626 /nfs/dbraw/zinc/46/56/26/1029465626.db2.gz RYTUFDYFHBTSHJ-HNNXBMFYSA-N 1 2 327.497 3.590 20 0 EHADLO C[C@@H](c1ccccc1)N(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000272459091 1029467772 /nfs/dbraw/zinc/46/77/72/1029467772.db2.gz RMQGTOVKAUYQBL-HNNXBMFYSA-N 1 2 332.407 3.633 20 0 EHADLO FC(F)(F)c1ccc2nnc(C[NH2+][C@H]3CCCc4occc43)n2c1 ZINC000278170824 1029471772 /nfs/dbraw/zinc/47/17/72/1029471772.db2.gz CIWJSAMBSJTXNI-LBPRGKRZSA-N 1 2 336.317 3.508 20 0 EHADLO [NH3+]C1(c2noc(-c3cc(-c4ccccc4Cl)n[nH]3)n2)CCCC1 ZINC000261701798 1029484570 /nfs/dbraw/zinc/48/45/70/1029484570.db2.gz ICVKBUXQLTYSKE-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]1CC1CCCCC1 ZINC000272505507 1029489040 /nfs/dbraw/zinc/48/90/40/1029489040.db2.gz XUJQMZQLGIIFAK-GOSISDBHSA-N 1 2 338.455 3.842 20 0 EHADLO C[C@@H]1CC=C(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000454957531 1029508563 /nfs/dbraw/zinc/50/85/63/1029508563.db2.gz UPQKBHYWIRHLTN-OAHLLOKOSA-N 1 2 325.412 3.647 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cs1 ZINC000272637573 1029545901 /nfs/dbraw/zinc/54/59/01/1029545901.db2.gz XCVRSFOGCOJGSJ-HUUCEWRRSA-N 1 2 332.469 3.751 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cs1 ZINC000272637573 1029545910 /nfs/dbraw/zinc/54/59/10/1029545910.db2.gz XCVRSFOGCOJGSJ-HUUCEWRRSA-N 1 2 332.469 3.751 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434319557 1029567455 /nfs/dbraw/zinc/56/74/55/1029567455.db2.gz YKUBJUAGWXJHKU-SFHVURJKSA-N 1 2 331.847 3.974 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000455010619 1029570767 /nfs/dbraw/zinc/57/07/67/1029570767.db2.gz AZXLHUVCLQNMCT-UHFFFAOYSA-N 1 2 334.508 3.692 20 0 EHADLO CCCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC1 ZINC000583294087 1029586691 /nfs/dbraw/zinc/58/66/91/1029586691.db2.gz NINAFVLTRDVXSQ-HXUWFJFHSA-N 1 2 339.483 3.949 20 0 EHADLO Cc1ccccc1C1(C(=O)NCCCn2cc[nH+]c2)CCCCC1 ZINC000114674690 1029592806 /nfs/dbraw/zinc/59/28/06/1029592806.db2.gz ZPADFURKYBMFGB-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000533301356 1029603448 /nfs/dbraw/zinc/60/34/48/1029603448.db2.gz RDPSZZKIEXWOCS-GOSISDBHSA-N 1 2 332.513 3.534 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000533301356 1029603455 /nfs/dbraw/zinc/60/34/55/1029603455.db2.gz RDPSZZKIEXWOCS-GOSISDBHSA-N 1 2 332.513 3.534 20 0 EHADLO Cn1c[nH+]cc1CNc1ncccc1OCc1cccc(Cl)c1 ZINC000162410268 1029603812 /nfs/dbraw/zinc/60/38/12/1029603812.db2.gz FOSOZNRCXGJVRR-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO Fc1ccc(OC2CC[NH+](Cc3cnc(Cl)s3)CC2)cc1 ZINC000079323303 1029608970 /nfs/dbraw/zinc/60/89/70/1029608970.db2.gz UGSAMYWXDAVPSO-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1cccs1 ZINC000728562135 1029618261 /nfs/dbraw/zinc/61/82/61/1029618261.db2.gz GIZPOBDGDALULZ-CYBMUJFWSA-N 1 2 334.514 3.994 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1cccs1 ZINC000728562135 1029618266 /nfs/dbraw/zinc/61/82/66/1029618266.db2.gz GIZPOBDGDALULZ-CYBMUJFWSA-N 1 2 334.514 3.994 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728561881 1029644331 /nfs/dbraw/zinc/64/43/31/1029644331.db2.gz CFUYDLUOTDBWSH-HNNXBMFYSA-N 1 2 334.876 3.889 20 0 EHADLO S=c1n(-c2cccc(Cl)c2)cnn1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728561881 1029644338 /nfs/dbraw/zinc/64/43/38/1029644338.db2.gz CFUYDLUOTDBWSH-HNNXBMFYSA-N 1 2 334.876 3.889 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647286398 1029645366 /nfs/dbraw/zinc/64/53/66/1029645366.db2.gz UEBOGLRUKAZKRL-GKCIPKSASA-N 1 2 343.446 3.929 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1ccncc1 ZINC000728564278 1029725499 /nfs/dbraw/zinc/72/54/99/1029725499.db2.gz XVKVMDWSPOWBRP-MRXNPFEDSA-N 1 2 343.500 3.718 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1ccncc1 ZINC000728564278 1029725504 /nfs/dbraw/zinc/72/55/04/1029725504.db2.gz XVKVMDWSPOWBRP-MRXNPFEDSA-N 1 2 343.500 3.718 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428595396 1029736398 /nfs/dbraw/zinc/73/63/98/1029736398.db2.gz FVGOHMDSWUPKLE-SJLPKXTDSA-N 1 2 346.519 3.966 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)S1 ZINC000525271724 1029767804 /nfs/dbraw/zinc/76/78/04/1029767804.db2.gz INWIJPAIDBHHFY-DVOMOZLQSA-N 1 2 338.904 3.661 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)S1 ZINC000525271724 1029767810 /nfs/dbraw/zinc/76/78/10/1029767810.db2.gz INWIJPAIDBHHFY-DVOMOZLQSA-N 1 2 338.904 3.661 20 0 EHADLO C[C@H]1C[NH+](Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)S1 ZINC000525274359 1029784858 /nfs/dbraw/zinc/78/48/58/1029784858.db2.gz WUGVQYJROJZXFR-UWVGGRQHSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000525329136 1029795538 /nfs/dbraw/zinc/79/55/38/1029795538.db2.gz CXMKZSVQLRAVFN-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000525329136 1029795544 /nfs/dbraw/zinc/79/55/44/1029795544.db2.gz CXMKZSVQLRAVFN-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@H](CNC(=O)C1(c2ccc(F)cc2)CCCCC1)Cn1cc[nH+]c1 ZINC000525331798 1029796774 /nfs/dbraw/zinc/79/67/74/1029796774.db2.gz VJYMMJNKGHCIHM-MRXNPFEDSA-N 1 2 343.446 3.677 20 0 EHADLO CCOc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1Cl ZINC001211580152 1029802118 /nfs/dbraw/zinc/80/21/18/1029802118.db2.gz NYBRTCPTEXLDAO-SNVBAGLBSA-N 1 2 343.761 3.501 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(Oc3ccc(C(C)C)cc3)CC2)n1 ZINC000533775455 1029822338 /nfs/dbraw/zinc/82/23/38/1029822338.db2.gz PSZVQMJGJBFAFF-UHFFFAOYSA-N 1 2 325.456 3.952 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(Cl)cc1 ZINC000360051300 1029835888 /nfs/dbraw/zinc/83/58/88/1029835888.db2.gz FOWVFVOGVNPFIT-UHFFFAOYSA-N 1 2 326.787 3.847 20 0 EHADLO Cc1cccc(CCCNc2cc(-c3ccccc3)nc3ncnn32)[nH+]1 ZINC000343233635 1029845439 /nfs/dbraw/zinc/84/54/39/1029845439.db2.gz JXODGHWUPSSPBB-UHFFFAOYSA-N 1 2 344.422 3.539 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)c1 ZINC000533808449 1029857281 /nfs/dbraw/zinc/85/72/81/1029857281.db2.gz SMCMTICWWGBIEJ-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO COCc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC000446955307 1029863074 /nfs/dbraw/zinc/86/30/74/1029863074.db2.gz ZMGBKQVOSGCYHK-UHFFFAOYSA-N 1 2 346.228 3.506 20 0 EHADLO COCc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC000446955307 1029863082 /nfs/dbraw/zinc/86/30/82/1029863082.db2.gz ZMGBKQVOSGCYHK-UHFFFAOYSA-N 1 2 346.228 3.506 20 0 EHADLO CSc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127304340 1029863796 /nfs/dbraw/zinc/86/37/96/1029863796.db2.gz HMZOVLFQFLFSFK-DZGCQCFKSA-N 1 2 330.457 3.720 20 0 EHADLO c1csc(-c2cnc(CN3CC[NH+](Cc4ccsc4)CC3)o2)c1 ZINC000533812242 1029871610 /nfs/dbraw/zinc/87/16/10/1029871610.db2.gz AXFZOOYIWLNLQA-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccncc1 ZINC000647294044 1029876428 /nfs/dbraw/zinc/87/64/28/1029876428.db2.gz LQEUPIWUBAADIH-KRWDZBQOSA-N 1 2 339.418 3.883 20 0 EHADLO CC(C)C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccncc1 ZINC000647294044 1029876433 /nfs/dbraw/zinc/87/64/33/1029876433.db2.gz LQEUPIWUBAADIH-KRWDZBQOSA-N 1 2 339.418 3.883 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000120108909 1029897535 /nfs/dbraw/zinc/89/75/35/1029897535.db2.gz RZYJRLGXEGUUGT-UHFFFAOYSA-N 1 2 339.782 3.713 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455770208 1029915208 /nfs/dbraw/zinc/91/52/08/1029915208.db2.gz KORJZTKAQVAEGA-LBPRGKRZSA-N 1 2 334.370 3.553 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000481753921 1029919472 /nfs/dbraw/zinc/91/94/72/1029919472.db2.gz YKYMUPPIICDIKW-UHFFFAOYSA-N 1 2 339.483 3.930 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)no1 ZINC000481770549 1029937205 /nfs/dbraw/zinc/93/72/05/1029937205.db2.gz XSFPFRRCVUKFOG-MSOLQXFVSA-N 1 2 343.471 3.652 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000537629587 1029962671 /nfs/dbraw/zinc/96/26/71/1029962671.db2.gz PNOAFGPVFNJFBS-CQSZACIVSA-N 1 2 337.485 3.640 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000537629587 1029962686 /nfs/dbraw/zinc/96/26/86/1029962686.db2.gz PNOAFGPVFNJFBS-CQSZACIVSA-N 1 2 337.485 3.640 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2ccoc2)c1 ZINC000089747053 1029979994 /nfs/dbraw/zinc/97/99/94/1029979994.db2.gz CODCIRMYGDNFRP-UHFFFAOYSA-N 1 2 347.418 3.740 20 0 EHADLO COc1nccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)n1 ZINC000453250864 1029981125 /nfs/dbraw/zinc/98/11/25/1029981125.db2.gz MWQHEBNRROZPJQ-VIFPVBQESA-N 1 2 343.761 3.591 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)ccn12 ZINC000583509371 1029993937 /nfs/dbraw/zinc/99/39/37/1029993937.db2.gz LSFVKDDRICYGMP-YJBOKZPZSA-N 1 2 337.398 3.848 20 0 EHADLO CC(C)(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1c[nH+]c[nH]1 ZINC000343270261 1030026515 /nfs/dbraw/zinc/02/65/15/1030026515.db2.gz LKPDOXOHTSOPPX-IBGZPJMESA-N 1 2 345.446 3.862 20 0 EHADLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C1(C)C ZINC001168337172 1030028113 /nfs/dbraw/zinc/02/81/13/1030028113.db2.gz PZSZXJQHAISFGQ-RYUDHWBXSA-N 1 2 342.361 3.675 20 0 EHADLO Clc1ccccc1C[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000481838081 1030028698 /nfs/dbraw/zinc/02/86/98/1030028698.db2.gz PGCRSDZQTCMPDT-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000453328734 1030058278 /nfs/dbraw/zinc/05/82/78/1030058278.db2.gz CDJBJUOGKYJEAH-QPUJVOFHSA-N 1 2 339.313 3.822 20 0 EHADLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000120570634 1030068320 /nfs/dbraw/zinc/06/83/20/1030068320.db2.gz NEPMRZGAULQBGI-QGZVFWFLSA-N 1 2 344.842 3.693 20 0 EHADLO CCc1cnc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000525784159 1030122050 /nfs/dbraw/zinc/12/20/50/1030122050.db2.gz KGIDJXQKZFGGNM-AWEZNQCLSA-N 1 2 333.863 3.769 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000171375854 1030126503 /nfs/dbraw/zinc/12/65/03/1030126503.db2.gz FWNSKNLBPRSTKP-LBPRGKRZSA-N 1 2 327.350 3.647 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000171375854 1030126511 /nfs/dbraw/zinc/12/65/11/1030126511.db2.gz FWNSKNLBPRSTKP-LBPRGKRZSA-N 1 2 327.350 3.647 20 0 EHADLO C[C@@H](CC(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC000565049730 1030128786 /nfs/dbraw/zinc/12/87/86/1030128786.db2.gz TYHSJDJPIRVQSD-RLFYNMQTSA-N 1 2 329.469 3.539 20 0 EHADLO COCC[N@H+](Cc1ccsc1C(=O)OC)[C@H](C)c1ccccc1 ZINC000447374143 1030145097 /nfs/dbraw/zinc/14/50/97/1030145097.db2.gz NKYFLUWBJHAWLJ-CQSZACIVSA-N 1 2 333.453 3.744 20 0 EHADLO COCC[N@@H+](Cc1ccsc1C(=O)OC)[C@H](C)c1ccccc1 ZINC000447374143 1030145108 /nfs/dbraw/zinc/14/51/08/1030145108.db2.gz NKYFLUWBJHAWLJ-CQSZACIVSA-N 1 2 333.453 3.744 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000278323789 1030162385 /nfs/dbraw/zinc/16/23/85/1030162385.db2.gz NSYMGRXCLBMRJP-UHFFFAOYSA-N 1 2 343.427 3.874 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)n1 ZINC000447396233 1030163732 /nfs/dbraw/zinc/16/37/32/1030163732.db2.gz JVYLAFKNQOAOCJ-QGZVFWFLSA-N 1 2 349.482 3.723 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)n1 ZINC000447396233 1030163747 /nfs/dbraw/zinc/16/37/47/1030163747.db2.gz JVYLAFKNQOAOCJ-QGZVFWFLSA-N 1 2 349.482 3.723 20 0 EHADLO CN(C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)C1CC1 ZINC000447385894 1030178363 /nfs/dbraw/zinc/17/83/63/1030178363.db2.gz PMQMPVNMXCFZLP-UHFFFAOYSA-N 1 2 327.255 3.583 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2 ZINC000361605048 1030219373 /nfs/dbraw/zinc/21/93/73/1030219373.db2.gz XCNVNTYMHOZMBK-OAQYLSRUSA-N 1 2 334.463 3.847 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2 ZINC000361605048 1030219387 /nfs/dbraw/zinc/21/93/87/1030219387.db2.gz XCNVNTYMHOZMBK-OAQYLSRUSA-N 1 2 334.463 3.847 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000537637008 1030282307 /nfs/dbraw/zinc/28/23/07/1030282307.db2.gz DXBZVWRWPCWYNG-GOSISDBHSA-N 1 2 330.378 3.511 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000537637008 1030282317 /nfs/dbraw/zinc/28/23/17/1030282317.db2.gz DXBZVWRWPCWYNG-GOSISDBHSA-N 1 2 330.378 3.511 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cnc3ccccc3c1)C2 ZINC000525995525 1030289106 /nfs/dbraw/zinc/28/91/06/1030289106.db2.gz NGBRCZGMIZMFQV-INIZCTEOSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cnc3ccccc3c1)CC2 ZINC000525995525 1030289127 /nfs/dbraw/zinc/28/91/27/1030289127.db2.gz NGBRCZGMIZMFQV-INIZCTEOSA-N 1 2 348.450 3.503 20 0 EHADLO Cc1cccc2[nH]c(C[NH+]3CCN([C@H](C)c4nccs4)CC3)cc21 ZINC000667994743 1030298447 /nfs/dbraw/zinc/29/84/47/1030298447.db2.gz NMEHIUVBVNCESE-OAHLLOKOSA-N 1 2 340.496 3.812 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)cc1 ZINC000343335189 1030334527 /nfs/dbraw/zinc/33/45/27/1030334527.db2.gz CIZVEGRHSZDDPX-KRWDZBQOSA-N 1 2 338.386 3.598 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000526002364 1030342042 /nfs/dbraw/zinc/34/20/42/1030342042.db2.gz FWGIFXKKPWBHFX-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000526002364 1030342057 /nfs/dbraw/zinc/34/20/57/1030342057.db2.gz FWGIFXKKPWBHFX-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2cnc(C3CC3)o2)s1 ZINC000453593070 1030352693 /nfs/dbraw/zinc/35/26/93/1030352693.db2.gz IXULSFNMXYKNES-UHFFFAOYSA-N 1 2 327.247 3.974 20 0 EHADLO CCc1cccc2cc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)oc21 ZINC000668033094 1030388054 /nfs/dbraw/zinc/38/80/54/1030388054.db2.gz SRKQHDJKJRESJM-QZTJIDSGSA-N 1 2 327.424 3.565 20 0 EHADLO CCc1cccc2cc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)oc21 ZINC000668033094 1030388075 /nfs/dbraw/zinc/38/80/75/1030388075.db2.gz SRKQHDJKJRESJM-QZTJIDSGSA-N 1 2 327.424 3.565 20 0 EHADLO CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000532094569 1030393661 /nfs/dbraw/zinc/39/36/61/1030393661.db2.gz HAYIIMYLYFDIDS-IBGZPJMESA-N 1 2 342.487 3.716 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482436077 1030416292 /nfs/dbraw/zinc/41/62/92/1030416292.db2.gz BXWAEVWPBVMYAY-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482436077 1030416300 /nfs/dbraw/zinc/41/63/00/1030416300.db2.gz BXWAEVWPBVMYAY-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000482440728 1030418717 /nfs/dbraw/zinc/41/87/17/1030418717.db2.gz REGDXSMTMPXGTF-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000482440728 1030418725 /nfs/dbraw/zinc/41/87/25/1030418725.db2.gz REGDXSMTMPXGTF-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000447731165 1030441053 /nfs/dbraw/zinc/44/10/53/1030441053.db2.gz UAZQHTTYQMDQHG-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000447731165 1030441060 /nfs/dbraw/zinc/44/10/60/1030441060.db2.gz UAZQHTTYQMDQHG-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCC(C)(C)C)s1 ZINC000121977638 1030450562 /nfs/dbraw/zinc/45/05/62/1030450562.db2.gz UOOHTBDOJLYIBV-CYBMUJFWSA-N 1 2 325.522 3.559 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCC(C)(C)C)s1 ZINC000121977638 1030450573 /nfs/dbraw/zinc/45/05/73/1030450573.db2.gz UOOHTBDOJLYIBV-CYBMUJFWSA-N 1 2 325.522 3.559 20 0 EHADLO Oc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000092452422 1030455723 /nfs/dbraw/zinc/45/57/23/1030455723.db2.gz JITOUOIZABYTDH-QGZVFWFLSA-N 1 2 348.240 3.728 20 0 EHADLO Oc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000092452422 1030455728 /nfs/dbraw/zinc/45/57/28/1030455728.db2.gz JITOUOIZABYTDH-QGZVFWFLSA-N 1 2 348.240 3.728 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c(OC)c1 ZINC000532218806 1030486686 /nfs/dbraw/zinc/48/66/86/1030486686.db2.gz YCRSYXLXXOKNTK-CYBMUJFWSA-N 1 2 337.423 3.806 20 0 EHADLO CC[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343357708 1030488663 /nfs/dbraw/zinc/48/86/63/1030488663.db2.gz FKFCKHIOHYMSIR-QGZVFWFLSA-N 1 2 334.423 3.849 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1c(F)cccc1F ZINC000550843532 1030500396 /nfs/dbraw/zinc/50/03/96/1030500396.db2.gz TZVDBHHYISFVJA-OAHLLOKOSA-N 1 2 348.368 3.750 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1c(F)cccc1F ZINC000550843532 1030500400 /nfs/dbraw/zinc/50/04/00/1030500400.db2.gz TZVDBHHYISFVJA-OAHLLOKOSA-N 1 2 348.368 3.750 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccccc1OCC(C)C ZINC000447828836 1030517901 /nfs/dbraw/zinc/51/79/01/1030517901.db2.gz QYXGTEICAGCHBX-UHFFFAOYSA-N 1 2 334.485 3.827 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccccc1OCC(C)C ZINC000447828836 1030517910 /nfs/dbraw/zinc/51/79/10/1030517910.db2.gz QYXGTEICAGCHBX-UHFFFAOYSA-N 1 2 334.485 3.827 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc3c1OCCC3)C2 ZINC000527000835 1030535721 /nfs/dbraw/zinc/53/57/21/1030535721.db2.gz VVDBRVPQWOVFJG-CQSZACIVSA-N 1 2 339.439 3.602 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc3c1OCCC3)CC2 ZINC000527000835 1030535725 /nfs/dbraw/zinc/53/57/25/1030535725.db2.gz VVDBRVPQWOVFJG-CQSZACIVSA-N 1 2 339.439 3.602 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851031 1030540551 /nfs/dbraw/zinc/54/05/51/1030540551.db2.gz PYRFEEXOJVCONZ-CHWSQXEVSA-N 1 2 346.418 3.611 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851031 1030540556 /nfs/dbraw/zinc/54/05/56/1030540556.db2.gz PYRFEEXOJVCONZ-CHWSQXEVSA-N 1 2 346.418 3.611 20 0 EHADLO O=C(CCc1ccccc1Cl)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343369488 1030545252 /nfs/dbraw/zinc/54/52/52/1030545252.db2.gz LJDJSPCKTOUOBK-UHFFFAOYSA-N 1 2 340.814 3.551 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447882458 1030564199 /nfs/dbraw/zinc/56/41/99/1030564199.db2.gz PELIUHDPXMNIIF-JQIJEIRASA-N 1 2 347.455 3.635 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447882458 1030564208 /nfs/dbraw/zinc/56/42/08/1030564208.db2.gz PELIUHDPXMNIIF-JQIJEIRASA-N 1 2 347.455 3.635 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000447890785 1030571145 /nfs/dbraw/zinc/57/11/45/1030571145.db2.gz ZSFUJZGIUGKGPG-KGLIPLIRSA-N 1 2 347.846 3.748 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000564725389 1030578530 /nfs/dbraw/zinc/57/85/30/1030578530.db2.gz BDBUYEFYLYKTHQ-HOCLYGCPSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000564725389 1030578544 /nfs/dbraw/zinc/57/85/44/1030578544.db2.gz BDBUYEFYLYKTHQ-HOCLYGCPSA-N 1 2 344.842 3.820 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)[C@H](C)CO1 ZINC000093595053 1030639243 /nfs/dbraw/zinc/63/92/43/1030639243.db2.gz SVCMJUTYNRRTTM-VQIMIIECSA-N 1 2 327.472 3.909 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)[C@H](C)CO1 ZINC000093595053 1030639250 /nfs/dbraw/zinc/63/92/50/1030639250.db2.gz SVCMJUTYNRRTTM-VQIMIIECSA-N 1 2 327.472 3.909 20 0 EHADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194032975 1030642830 /nfs/dbraw/zinc/64/28/30/1030642830.db2.gz TZVJPTKBDHLGQD-YOEHRIQHSA-N 1 2 344.434 3.732 20 0 EHADLO CO[C@H]1CCOc2c(NC3CCN(c4cccc[nH+]4)CC3)cccc21 ZINC000448027307 1030660031 /nfs/dbraw/zinc/66/00/31/1030660031.db2.gz MKWRLRTXXRLKAN-SFHVURJKSA-N 1 2 339.439 3.633 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000122570195 1030677504 /nfs/dbraw/zinc/67/75/04/1030677504.db2.gz PCOLFZWQMWDXEG-WFASDCNBSA-N 1 2 335.448 3.688 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000122570195 1030677519 /nfs/dbraw/zinc/67/75/19/1030677519.db2.gz PCOLFZWQMWDXEG-WFASDCNBSA-N 1 2 335.448 3.688 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1OC ZINC000093841681 1030682948 /nfs/dbraw/zinc/68/29/48/1030682948.db2.gz LQMYDLJUOFJPDL-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO CCCOc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1OC ZINC000093841681 1030682959 /nfs/dbraw/zinc/68/29/59/1030682959.db2.gz LQMYDLJUOFJPDL-IBGZPJMESA-N 1 2 331.412 3.651 20 0 EHADLO c1nc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c(-c2ccccc2)o1 ZINC000360035289 1030717308 /nfs/dbraw/zinc/71/73/08/1030717308.db2.gz IVXWPBKLIQWBMH-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+]Cc3ccc(C(F)F)cc3)[nH]2)cc1 ZINC000527233313 1030725356 /nfs/dbraw/zinc/72/53/56/1030725356.db2.gz SUYBPOBBLPKQHX-UHFFFAOYSA-N 1 2 332.329 3.838 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000527243934 1030733761 /nfs/dbraw/zinc/73/37/61/1030733761.db2.gz AWMSRNJQFWHHBI-HZPDHXFCSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000527243934 1030733776 /nfs/dbraw/zinc/73/37/76/1030733776.db2.gz AWMSRNJQFWHHBI-HZPDHXFCSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1ccccc1C1(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000550886689 1030762882 /nfs/dbraw/zinc/76/28/82/1030762882.db2.gz QORAMHBWIYIXRG-LJQANCHMSA-N 1 2 336.414 3.663 20 0 EHADLO CCC(O)(CC)C[N@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000626112018 1030776486 /nfs/dbraw/zinc/77/64/86/1030776486.db2.gz KANVRVWDRNWAMA-UHFFFAOYSA-N 1 2 341.814 3.512 20 0 EHADLO CCC(O)(CC)C[N@@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000626112018 1030776500 /nfs/dbraw/zinc/77/65/00/1030776500.db2.gz KANVRVWDRNWAMA-UHFFFAOYSA-N 1 2 341.814 3.512 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000635229244 1030788461 /nfs/dbraw/zinc/78/84/61/1030788461.db2.gz JVCAAOXWQWEMIV-ZIAGYGMSSA-N 1 2 349.356 3.723 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000635229244 1030788477 /nfs/dbraw/zinc/78/84/77/1030788477.db2.gz JVCAAOXWQWEMIV-ZIAGYGMSSA-N 1 2 349.356 3.723 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000668156194 1030810104 /nfs/dbraw/zinc/81/01/04/1030810104.db2.gz IXMILTRPWDJZKI-UHFFFAOYSA-N 1 2 326.444 3.578 20 0 EHADLO CCOc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000564417127 1030817713 /nfs/dbraw/zinc/81/77/13/1030817713.db2.gz NSHAKQJEFDRIMM-UHFFFAOYSA-N 1 2 349.434 3.820 20 0 EHADLO O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172068426 1030828263 /nfs/dbraw/zinc/82/82/63/1030828263.db2.gz QJKMEISSASMNJA-VQTJNVASSA-N 1 2 347.418 3.522 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000482958099 1030845495 /nfs/dbraw/zinc/84/54/95/1030845495.db2.gz JEOOMNZNJSWDSJ-HNNXBMFYSA-N 1 2 334.872 3.807 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000482958099 1030845516 /nfs/dbraw/zinc/84/55/16/1030845516.db2.gz JEOOMNZNJSWDSJ-HNNXBMFYSA-N 1 2 334.872 3.807 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161894079 1030854139 /nfs/dbraw/zinc/85/41/39/1030854139.db2.gz PTOFFWOYTLFCOX-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161894079 1030854152 /nfs/dbraw/zinc/85/41/52/1030854152.db2.gz PTOFFWOYTLFCOX-HNNXBMFYSA-N 1 2 345.516 3.821 20 0 EHADLO COc1ccc(OC)c(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000097214118 1030905342 /nfs/dbraw/zinc/90/53/42/1030905342.db2.gz FYLLGCQSGJXXCJ-UHFFFAOYSA-N 1 2 328.412 3.595 20 0 EHADLO CCOc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1F ZINC000278459641 1030946436 /nfs/dbraw/zinc/94/64/36/1030946436.db2.gz XPLMBAQUXUJBRH-UHFFFAOYSA-N 1 2 344.430 3.798 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115993471 1030959160 /nfs/dbraw/zinc/95/91/60/1030959160.db2.gz WWVFYLXKEDVKHW-KRWDZBQOSA-N 1 2 337.467 3.669 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cc(F)ccc1F ZINC000483107312 1030968553 /nfs/dbraw/zinc/96/85/53/1030968553.db2.gz DUVYWWOKGKJDFW-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cc(F)ccc1F ZINC000483107312 1030968569 /nfs/dbraw/zinc/96/85/69/1030968569.db2.gz DUVYWWOKGKJDFW-ZDUSSCGKSA-N 1 2 334.341 3.532 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc2ccccc2s1 ZINC000343457115 1030969469 /nfs/dbraw/zinc/96/94/69/1030969469.db2.gz HJHZMMMJOCEADA-TZMCWYRMSA-N 1 2 325.437 3.538 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000583869509 1031001812 /nfs/dbraw/zinc/00/18/12/1031001812.db2.gz SODPRZNMFISTJK-UHFFFAOYSA-N 1 2 330.863 3.726 20 0 EHADLO Fc1ccc(C2(C[NH2+][C@H](c3cccs3)c3nnc[nH]3)CC2)c(F)c1 ZINC000551087210 1031030004 /nfs/dbraw/zinc/03/00/04/1031030004.db2.gz NBGNHDBEYVYZJA-OAHLLOKOSA-N 1 2 346.406 3.555 20 0 EHADLO Cc1cc(C)cc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000042625030 1031049319 /nfs/dbraw/zinc/04/93/19/1031049319.db2.gz PQZQIGWUFNICCT-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2c(F)ccc(F)c2Cl)c1 ZINC000527633653 1031061555 /nfs/dbraw/zinc/06/15/55/1031061555.db2.gz PPGYSQHNOUGVEU-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO O=C(c1cccc(C(F)F)c1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527636457 1031064802 /nfs/dbraw/zinc/06/48/02/1031064802.db2.gz UDSIJICVUMTHDD-UHFFFAOYSA-N 1 2 348.368 3.721 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000173554819 1031110922 /nfs/dbraw/zinc/11/09/22/1031110922.db2.gz LJXNBIJCQDJOOL-LJQANCHMSA-N 1 2 333.435 3.966 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000668243700 1031150909 /nfs/dbraw/zinc/15/09/09/1031150909.db2.gz HFDZQBNUUGPXQS-VIFPVBQESA-N 1 2 329.288 3.603 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000668243700 1031150919 /nfs/dbraw/zinc/15/09/19/1031150919.db2.gz HFDZQBNUUGPXQS-VIFPVBQESA-N 1 2 329.288 3.603 20 0 EHADLO Cc1nccc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)n1 ZINC000527751888 1031208697 /nfs/dbraw/zinc/20/86/97/1031208697.db2.gz IVQBIQSIDPTEOO-QMMMGPOBSA-N 1 2 342.187 3.677 20 0 EHADLO O=C(CC1(O)CCCCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000174405589 1031216162 /nfs/dbraw/zinc/21/61/62/1031216162.db2.gz BHZSEANWYFNEKA-UHFFFAOYSA-N 1 2 333.819 3.550 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440177 1031217748 /nfs/dbraw/zinc/21/77/48/1031217748.db2.gz AORUXZURBJCCAJ-IACUBPJLSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440177 1031217766 /nfs/dbraw/zinc/21/77/66/1031217766.db2.gz AORUXZURBJCCAJ-IACUBPJLSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477084604 1031228658 /nfs/dbraw/zinc/22/86/58/1031228658.db2.gz HQIXDQUFKVHHIJ-CQSZACIVSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477084604 1031228668 /nfs/dbraw/zinc/22/86/68/1031228668.db2.gz HQIXDQUFKVHHIJ-CQSZACIVSA-N 1 2 343.446 3.744 20 0 EHADLO CC[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccc(F)cc1F ZINC000278524348 1031236594 /nfs/dbraw/zinc/23/65/94/1031236594.db2.gz DBZQBNCVFAEUDM-CQSZACIVSA-N 1 2 340.805 3.715 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174650993 1031240255 /nfs/dbraw/zinc/24/02/55/1031240255.db2.gz YNDNVQZZPMQQMB-FPOVZHCZSA-N 1 2 329.403 3.715 20 0 EHADLO CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000477089933 1031242927 /nfs/dbraw/zinc/24/29/27/1031242927.db2.gz PBFZQMKYESDTNF-RDTXWAMCSA-N 1 2 341.455 3.886 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)s1 ZINC000314991539 1031246842 /nfs/dbraw/zinc/24/68/42/1031246842.db2.gz RUYWOGJRYUTUFZ-BDAKNGLRSA-N 1 2 326.368 3.620 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C ZINC000483648430 1031259588 /nfs/dbraw/zinc/25/95/88/1031259588.db2.gz CFIZHGFJJXLPPS-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C ZINC000483648430 1031259606 /nfs/dbraw/zinc/25/96/06/1031259606.db2.gz CFIZHGFJJXLPPS-NRFANRHFSA-N 1 2 341.451 3.851 20 0 EHADLO CCCC[C@H](CCC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000483689353 1031288624 /nfs/dbraw/zinc/28/86/24/1031288624.db2.gz ZZDLSEDPEAYYQW-KRWDZBQOSA-N 1 2 332.492 3.840 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527825403 1031289896 /nfs/dbraw/zinc/28/98/96/1031289896.db2.gz WMONLANXRYSBGQ-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO COc1sc(C[NH2+][C@@H](C)c2ncccc2F)cc1Br ZINC000527826298 1031291907 /nfs/dbraw/zinc/29/19/07/1031291907.db2.gz LDQHKYOGZULGIV-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ncc(Br)cn1 ZINC000903322467 1031334553 /nfs/dbraw/zinc/33/45/53/1031334553.db2.gz DGKSBGJGHKISST-AWEZNQCLSA-N 1 2 336.208 3.545 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175457199 1031338190 /nfs/dbraw/zinc/33/81/90/1031338190.db2.gz RCSZGPRRJVNCQR-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175457199 1031338196 /nfs/dbraw/zinc/33/81/96/1031338196.db2.gz RCSZGPRRJVNCQR-INIZCTEOSA-N 1 2 340.345 3.884 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000448629424 1031350422 /nfs/dbraw/zinc/35/04/22/1031350422.db2.gz HODGPZOBWGRECJ-WOJBJXKFSA-N 1 2 349.478 3.882 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000175725124 1031352122 /nfs/dbraw/zinc/35/21/22/1031352122.db2.gz LSYTZIXWNGKOOQ-LBPRGKRZSA-N 1 2 345.468 3.561 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000175725124 1031352132 /nfs/dbraw/zinc/35/21/32/1031352132.db2.gz LSYTZIXWNGKOOQ-LBPRGKRZSA-N 1 2 345.468 3.561 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc3[nH]ccc32)c1C ZINC000171394334 1031358374 /nfs/dbraw/zinc/35/83/74/1031358374.db2.gz ZSVSXGFJONRSST-UHFFFAOYSA-N 1 2 338.411 3.852 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c(OC)c1 ZINC000483867392 1031375454 /nfs/dbraw/zinc/37/54/54/1031375454.db2.gz DVEMFCABOSFUTA-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c(OC)c1 ZINC000483867392 1031375468 /nfs/dbraw/zinc/37/54/68/1031375468.db2.gz DVEMFCABOSFUTA-CYBMUJFWSA-N 1 2 325.412 3.739 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)c(C)c1C ZINC000483992069 1031424489 /nfs/dbraw/zinc/42/44/89/1031424489.db2.gz DKBZWDHGZGVMHL-UHFFFAOYSA-N 1 2 328.481 3.979 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)c(C)c1C ZINC000483992069 1031424500 /nfs/dbraw/zinc/42/45/00/1031424500.db2.gz DKBZWDHGZGVMHL-UHFFFAOYSA-N 1 2 328.481 3.979 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000448659039 1031425106 /nfs/dbraw/zinc/42/51/06/1031425106.db2.gz DOBKWXSIZNXFHB-GJYPPUQNSA-N 1 2 325.456 3.620 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccc(-c2csnn2)cc1)n1cc[nH+]c1 ZINC000635403315 1031441000 /nfs/dbraw/zinc/44/10/00/1031441000.db2.gz JEWNDDPJEKAOOW-MRXNPFEDSA-N 1 2 341.440 3.628 20 0 EHADLO CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccoc1 ZINC000102409115 1031448494 /nfs/dbraw/zinc/44/84/94/1031448494.db2.gz UOWWGJKLONZSIA-UHFFFAOYSA-N 1 2 336.819 3.711 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccoc1 ZINC000102409115 1031448497 /nfs/dbraw/zinc/44/84/97/1031448497.db2.gz UOWWGJKLONZSIA-UHFFFAOYSA-N 1 2 336.819 3.711 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CC[C@@](F)(c4cc(F)cc(F)c4)C3)ccc21 ZINC000551586967 1031474182 /nfs/dbraw/zinc/47/41/82/1031474182.db2.gz TXESGBNUEJNQRO-IBGZPJMESA-N 1 2 345.368 3.922 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CC[C@@](F)(c4cc(F)cc(F)c4)C3)ccc21 ZINC000551586967 1031474196 /nfs/dbraw/zinc/47/41/96/1031474196.db2.gz TXESGBNUEJNQRO-IBGZPJMESA-N 1 2 345.368 3.922 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000347411402 1031499557 /nfs/dbraw/zinc/49/95/57/1031499557.db2.gz AFZJMKYKILPWLE-ROUUACIJSA-N 1 2 337.467 3.636 20 0 EHADLO CC[N@H+](Cc1ccsc1C(=O)OC)Cc1ccc(OC)c(OC)c1 ZINC000088491919 1031554924 /nfs/dbraw/zinc/55/49/24/1031554924.db2.gz RRQAOGIAJIXBEI-UHFFFAOYSA-N 1 2 349.452 3.574 20 0 EHADLO CC[N@@H+](Cc1ccsc1C(=O)OC)Cc1ccc(OC)c(OC)c1 ZINC000088491919 1031554931 /nfs/dbraw/zinc/55/49/31/1031554931.db2.gz RRQAOGIAJIXBEI-UHFFFAOYSA-N 1 2 349.452 3.574 20 0 EHADLO Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc(C)c1O ZINC001211903302 1031558008 /nfs/dbraw/zinc/55/80/08/1031558008.db2.gz DSKRFTLKWMHMQG-GASCZTMLSA-N 1 2 327.428 3.761 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347455653 1031609580 /nfs/dbraw/zinc/60/95/80/1031609580.db2.gz XQAJWOAMKOXRDY-CVEARBPZSA-N 1 2 343.496 3.555 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347455664 1031612212 /nfs/dbraw/zinc/61/22/12/1031612212.db2.gz XQAJWOAMKOXRDY-JKSUJKDBSA-N 1 2 343.496 3.555 20 0 EHADLO CS[C@H]1CCC[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000117217910 1031627491 /nfs/dbraw/zinc/62/74/91/1031627491.db2.gz DWZMYXOEMPCZLR-CABCVRRESA-N 1 2 329.469 3.585 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000551766262 1031632468 /nfs/dbraw/zinc/63/24/68/1031632468.db2.gz CHMYAPWUHLGNJB-UHFFFAOYSA-N 1 2 338.455 3.951 20 0 EHADLO Cc1cccc(C2(C(=O)NCCCCn3cc[nH+]c3)CCCCC2)c1 ZINC000548816935 1031660209 /nfs/dbraw/zinc/66/02/09/1031660209.db2.gz NDRBQZWLCXWMCO-UHFFFAOYSA-N 1 2 339.483 3.990 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2c3c(cccc31)CC2 ZINC000178166614 1031662408 /nfs/dbraw/zinc/66/24/08/1031662408.db2.gz UDEAKOOHVRAEMN-UHFFFAOYSA-N 1 2 342.402 3.908 20 0 EHADLO O=C([O-])C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000904026812 1031673051 /nfs/dbraw/zinc/67/30/51/1031673051.db2.gz LTPCOIPNIHAJGU-OAHLLOKOSA-N 1 2 347.484 3.695 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccn2cc[nH+]c2c1 ZINC000178362903 1031685616 /nfs/dbraw/zinc/68/56/16/1031685616.db2.gz LNQTZOHAXNGHDR-UHFFFAOYSA-N 1 2 334.206 3.500 20 0 EHADLO O=C(Nc1ccccc1OC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000117568018 1031755125 /nfs/dbraw/zinc/75/51/25/1031755125.db2.gz DATJYNCKGFGJJN-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000117591315 1031758608 /nfs/dbraw/zinc/75/86/08/1031758608.db2.gz WCKRVFQYWNIPGF-OAHLLOKOSA-N 1 2 333.391 3.767 20 0 EHADLO CC(C)c1ncsc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000584120605 1031769065 /nfs/dbraw/zinc/76/90/65/1031769065.db2.gz IXYVTUTVTSSGFZ-HDJSIYSDSA-N 1 2 344.484 3.815 20 0 EHADLO COc1ccc(C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117634664 1031784417 /nfs/dbraw/zinc/78/44/17/1031784417.db2.gz PAIKZXGFVACMDQ-UHFFFAOYSA-N 1 2 349.434 3.589 20 0 EHADLO COc1c(C)cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000179892121 1031814998 /nfs/dbraw/zinc/81/49/98/1031814998.db2.gz DDNCZDZCKLKHOH-UHFFFAOYSA-N 1 2 342.439 3.605 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CCO1 ZINC000179953361 1031824965 /nfs/dbraw/zinc/82/49/65/1031824965.db2.gz FHEJJGSPQGAZRH-FDPIWHGQSA-N 1 2 330.472 3.527 20 0 EHADLO Fc1cc2c(c(F)c1)CCN2Cc1c[nH+]cn1Cc1ccccc1 ZINC000484659580 1031827742 /nfs/dbraw/zinc/82/77/42/1031827742.db2.gz ZSHCMUISWFATMB-UHFFFAOYSA-N 1 2 325.362 3.772 20 0 EHADLO CCn1nccc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000180023744 1031830641 /nfs/dbraw/zinc/83/06/41/1031830641.db2.gz UPIOWGFDWMIUEF-UHFFFAOYSA-N 1 2 340.290 3.892 20 0 EHADLO CCn1nccc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000180023744 1031830665 /nfs/dbraw/zinc/83/06/65/1031830665.db2.gz UPIOWGFDWMIUEF-UHFFFAOYSA-N 1 2 340.290 3.892 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1nnc2n1CCCCC2 ZINC000657831061 1031832989 /nfs/dbraw/zinc/83/29/89/1031832989.db2.gz RDQYDFIDWWERJY-NWDGAFQWSA-N 1 2 335.402 3.749 20 0 EHADLO c1ccc([C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)Cc3ccccc32)cc1 ZINC000180413137 1031849555 /nfs/dbraw/zinc/84/95/55/1031849555.db2.gz MNIZVHDUAJGEIT-IBGZPJMESA-N 1 2 330.435 3.830 20 0 EHADLO c1ccc([C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)Cc3ccccc32)cc1 ZINC000180413137 1031849565 /nfs/dbraw/zinc/84/95/65/1031849565.db2.gz MNIZVHDUAJGEIT-IBGZPJMESA-N 1 2 330.435 3.830 20 0 EHADLO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ncc(Cl)s1)C2 ZINC000343669172 1031862876 /nfs/dbraw/zinc/86/28/76/1031862876.db2.gz CFZGOZGQZZDOAH-ZBEGNZNMSA-N 1 2 342.892 3.740 20 0 EHADLO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(Cl)s1)C2 ZINC000343669172 1031862894 /nfs/dbraw/zinc/86/28/94/1031862894.db2.gz CFZGOZGQZZDOAH-ZBEGNZNMSA-N 1 2 342.892 3.740 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CSC[C@H]2c2ccccc2)n1 ZINC000904268375 1031896370 /nfs/dbraw/zinc/89/63/70/1031896370.db2.gz PHLITUAQHIMXCU-LSDHHAIUSA-N 1 2 338.436 3.636 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000904257976 1031904345 /nfs/dbraw/zinc/90/43/45/1031904345.db2.gz HKEWICIBWOYXHF-NXEZZACHSA-N 1 2 326.322 3.858 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180776058 1031909591 /nfs/dbraw/zinc/90/95/91/1031909591.db2.gz BLZDZEKHERETTN-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180776058 1031909607 /nfs/dbraw/zinc/90/96/07/1031909607.db2.gz BLZDZEKHERETTN-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)C3CCC3)CC2)c1 ZINC000448908552 1031913098 /nfs/dbraw/zinc/91/30/98/1031913098.db2.gz JSDMARMEFFINSR-INIZCTEOSA-N 1 2 344.499 3.727 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000151717471 1031951425 /nfs/dbraw/zinc/95/14/25/1031951425.db2.gz DEXRNSFLDULSPD-OALUTQOASA-N 1 2 339.439 3.704 20 0 EHADLO C[N@H+](Cc1ccncc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000449013890 1032025369 /nfs/dbraw/zinc/02/53/69/1032025369.db2.gz MZXAARVCLCNOAG-HOTGVXAUSA-N 1 2 341.213 3.618 20 0 EHADLO C[N@@H+](Cc1ccncc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000449013890 1032025377 /nfs/dbraw/zinc/02/53/77/1032025377.db2.gz MZXAARVCLCNOAG-HOTGVXAUSA-N 1 2 341.213 3.618 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000278695438 1032025997 /nfs/dbraw/zinc/02/59/97/1032025997.db2.gz SPBQNVPIKQHELW-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000278696420 1032031175 /nfs/dbraw/zinc/03/11/75/1032031175.db2.gz KUCOAWPJNBNDNE-QWHCGFSZSA-N 1 2 341.411 3.848 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343711560 1032033695 /nfs/dbraw/zinc/03/36/95/1032033695.db2.gz HVNGFOHBBFKXQY-QFBILLFUSA-N 1 2 337.467 3.835 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449004677 1032043719 /nfs/dbraw/zinc/04/37/19/1032043719.db2.gz ZDCHTDJJUPVFHJ-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449004677 1032043735 /nfs/dbraw/zinc/04/37/35/1032043735.db2.gz ZDCHTDJJUPVFHJ-UHFFFAOYSA-N 1 2 331.481 3.846 20 0 EHADLO CCOC(=O)c1noc(C[NH2+]C(C)(C)c2ccc(C(C)(C)C)cc2)n1 ZINC000459402751 1032043771 /nfs/dbraw/zinc/04/37/71/1032043771.db2.gz ZYSPDABNMWHHKJ-UHFFFAOYSA-N 1 2 345.443 3.569 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2ncc(-c3cccs3)o2)cc1 ZINC000181961717 1032048302 /nfs/dbraw/zinc/04/83/02/1032048302.db2.gz NTEZNELSUIRHBA-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2ncc(-c3cccs3)o2)cc1 ZINC000181961717 1032048315 /nfs/dbraw/zinc/04/83/15/1032048315.db2.gz NTEZNELSUIRHBA-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)c(C)s1 ZINC000603018664 1033311228 /nfs/dbraw/zinc/31/12/28/1033311228.db2.gz KVPVKUHTBXZMBI-CQSZACIVSA-N 1 2 325.380 3.783 20 0 EHADLO Cc1cc(NC(=O)NC(C)(C)c2nc3ccccc3s2)c(C)c[nH+]1 ZINC000529045073 1033329987 /nfs/dbraw/zinc/32/99/87/1033329987.db2.gz ZYEFOHSANCRTMM-UHFFFAOYSA-N 1 2 340.452 3.787 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c[nH+]1 ZINC001142535274 1033350822 /nfs/dbraw/zinc/35/08/22/1033350822.db2.gz QSIRYQLDJHXBSC-QGZVFWFLSA-N 1 2 325.456 3.856 20 0 EHADLO Brc1ccc2oc(C[NH+]3CC(Cc4ccoc4)C3)nc2c1 ZINC000898160144 1033360083 /nfs/dbraw/zinc/36/00/83/1033360083.db2.gz SJSVQHWINLNFMF-UHFFFAOYSA-N 1 2 347.212 3.858 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000173484047 1033367222 /nfs/dbraw/zinc/36/72/22/1033367222.db2.gz IUYIXWJTPDIORU-KBPBESRZSA-N 1 2 340.562 3.875 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2nc(C3CC3)n(CC)c2=S)C1 ZINC000173484047 1033367238 /nfs/dbraw/zinc/36/72/38/1033367238.db2.gz IUYIXWJTPDIORU-KBPBESRZSA-N 1 2 340.562 3.875 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488417 1033368481 /nfs/dbraw/zinc/36/84/81/1033368481.db2.gz ZCMMIVVSSQNNJH-KGLIPLIRSA-N 1 2 349.525 3.535 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488417 1033368489 /nfs/dbraw/zinc/36/84/89/1033368489.db2.gz ZCMMIVVSSQNNJH-KGLIPLIRSA-N 1 2 349.525 3.535 20 0 EHADLO C[C@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000173529406 1033398345 /nfs/dbraw/zinc/39/83/45/1033398345.db2.gz QMQHKSCERIGIIX-AWEZNQCLSA-N 1 2 328.485 3.782 20 0 EHADLO C[C@H]1CCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000173529406 1033398362 /nfs/dbraw/zinc/39/83/62/1033398362.db2.gz QMQHKSCERIGIIX-AWEZNQCLSA-N 1 2 328.485 3.782 20 0 EHADLO Cc1ccccc1C(NC(=O)NCc1c[nH+]cn1C)c1ccccc1C ZINC000358123228 1033407265 /nfs/dbraw/zinc/40/72/65/1033407265.db2.gz VGKBOSPSUBHZBV-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000343805475 1033408725 /nfs/dbraw/zinc/40/87/25/1033408725.db2.gz LCRDDKHPUYDRIS-CVEARBPZSA-N 1 2 343.496 3.914 20 0 EHADLO C(=C1CCCC1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000598805977 1033473800 /nfs/dbraw/zinc/47/38/00/1033473800.db2.gz ZEZHKCQDHUMACB-UHFFFAOYSA-N 1 2 325.412 3.526 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[NH2+]C1CCC(F)(F)CC1 ZINC000594616141 1033479231 /nfs/dbraw/zinc/47/92/31/1033479231.db2.gz SKAWDYUHAXKYCV-OAHLLOKOSA-N 1 2 340.414 3.502 20 0 EHADLO C[C@H](CNC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)Cn1cc[nH+]c1 ZINC000449957122 1033490897 /nfs/dbraw/zinc/49/08/97/1033490897.db2.gz BUYKNSLFWDCTHQ-XNRPHZJLSA-N 1 2 349.837 3.622 20 0 EHADLO Cc1ccccc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608260121 1033554473 /nfs/dbraw/zinc/55/44/73/1033554473.db2.gz GEBJVEORCYHGEY-SFHVURJKSA-N 1 2 334.423 3.834 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CC[C@H](C2CC2)O1 ZINC001168296581 1033557583 /nfs/dbraw/zinc/55/75/83/1033557583.db2.gz WOSBQUQEIRURDT-GUDVDZBRSA-N 1 2 331.456 3.570 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CC[C@H](C2CC2)O1 ZINC001168296581 1033557589 /nfs/dbraw/zinc/55/75/89/1033557589.db2.gz WOSBQUQEIRURDT-GUDVDZBRSA-N 1 2 331.456 3.570 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cc(Cl)ccc1F ZINC000106240279 1033558971 /nfs/dbraw/zinc/55/89/71/1033558971.db2.gz FBYPDCPADDXRMC-IUCAKERBSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(F)cc1Cl ZINC000106242660 1033559717 /nfs/dbraw/zinc/55/97/17/1033559717.db2.gz PSABCUOCBVJIBM-BDAKNGLRSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@H]1c1ccccc1 ZINC000608313443 1033614683 /nfs/dbraw/zinc/61/46/83/1033614683.db2.gz XZKMALWWEJBNQD-MAUKXSAKSA-N 1 2 334.423 3.992 20 0 EHADLO OCc1c(OCc2ccccc2)cccc1-c1c[nH+]c2n1CCCC2 ZINC000630053639 1033616952 /nfs/dbraw/zinc/61/69/52/1033616952.db2.gz XJMKXZYOPMQBOF-UHFFFAOYSA-N 1 2 334.419 3.958 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2cccnc12 ZINC000045768967 1033660623 /nfs/dbraw/zinc/66/06/23/1033660623.db2.gz APPSRWIIWDEDRR-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)F)nc2)s1 ZINC000595045036 1033663301 /nfs/dbraw/zinc/66/33/01/1033663301.db2.gz QIQDOHRFFLIUSG-IUCAKERBSA-N 1 2 341.383 3.674 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608390741 1033671359 /nfs/dbraw/zinc/67/13/59/1033671359.db2.gz GANKUZGRHHRPFX-BPQIPLTHSA-N 1 2 340.471 3.582 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091228 1033672852 /nfs/dbraw/zinc/67/28/52/1033672852.db2.gz VDPLYHYLXPZPDU-XZUYRWCXSA-N 1 2 329.469 3.677 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091228 1033672857 /nfs/dbraw/zinc/67/28/57/1033672857.db2.gz VDPLYHYLXPZPDU-XZUYRWCXSA-N 1 2 329.469 3.677 20 0 EHADLO Cc1cc(F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000529250039 1033694579 /nfs/dbraw/zinc/69/45/79/1033694579.db2.gz IDHFZHMZQHKKIJ-LBPRGKRZSA-N 1 2 348.809 3.583 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000529269203 1033740610 /nfs/dbraw/zinc/74/06/10/1033740610.db2.gz KLUBARILMVTLNW-UHFFFAOYSA-N 1 2 337.427 3.551 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000608553362 1033757959 /nfs/dbraw/zinc/75/79/59/1033757959.db2.gz FISPGSKEBJMQDX-HXUWFJFHSA-N 1 2 345.446 3.623 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603580856 1033777144 /nfs/dbraw/zinc/77/71/44/1033777144.db2.gz SRMBGALUJJBUIO-QGZVFWFLSA-N 1 2 340.427 3.541 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174196594 1033800110 /nfs/dbraw/zinc/80/01/10/1033800110.db2.gz XLYWMVKBSMYHGD-QGZVFWFLSA-N 1 2 345.531 3.910 20 0 EHADLO C[C@H]1CCC[C@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000174198515 1033801300 /nfs/dbraw/zinc/80/13/00/1033801300.db2.gz DHYSDXVNQKQZRY-IRXDYDNUSA-N 1 2 343.515 3.664 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccc(SC(F)F)cc1 ZINC001168309862 1033869949 /nfs/dbraw/zinc/86/99/49/1033869949.db2.gz PUVZOVTXLZZVCV-NEPJUHHUSA-N 1 2 348.365 3.527 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccc(SC(F)F)cc1 ZINC001168309862 1033869956 /nfs/dbraw/zinc/86/99/56/1033869956.db2.gz PUVZOVTXLZZVCV-NEPJUHHUSA-N 1 2 348.365 3.527 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ncccc1Cl)c1ccccc1 ZINC000599360479 1033900786 /nfs/dbraw/zinc/90/07/86/1033900786.db2.gz BALBEAYHROLZHH-INIZCTEOSA-N 1 2 332.831 3.908 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC(F)F)CCS1 ZINC000174365333 1033908728 /nfs/dbraw/zinc/90/87/28/1033908728.db2.gz VNDVXVUGHOJRBF-LLVKDONJSA-N 1 2 346.468 3.767 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC(F)F)CCS1 ZINC000174365333 1033908740 /nfs/dbraw/zinc/90/87/40/1033908740.db2.gz VNDVXVUGHOJRBF-LLVKDONJSA-N 1 2 346.468 3.767 20 0 EHADLO CC(C)(C)c1csc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000120556926 1033926334 /nfs/dbraw/zinc/92/63/34/1033926334.db2.gz NPQSANVEQKOORK-UHFFFAOYSA-N 1 2 340.452 3.938 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809033 1033940129 /nfs/dbraw/zinc/94/01/29/1033940129.db2.gz YMRVXWZHKQHKDD-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO O=C(CSCc1ccc(F)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000603811232 1033942258 /nfs/dbraw/zinc/94/22/58/1033942258.db2.gz DYFNVVLKVZBLGH-UHFFFAOYSA-N 1 2 341.411 3.883 20 0 EHADLO COCCCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450254911 1033973004 /nfs/dbraw/zinc/97/30/04/1033973004.db2.gz LFEPUNAJKTVHDN-UHFFFAOYSA-N 1 2 327.197 3.975 20 0 EHADLO C[C@H](c1csnn1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000450238060 1033959261 /nfs/dbraw/zinc/95/92/61/1033959261.db2.gz TZGNCYIAGHBRCI-QWHCGFSZSA-N 1 2 336.892 3.631 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2c(Cl)ccc(Cl)c2Cl)C[C@@H]1C ZINC001231482846 1033989354 /nfs/dbraw/zinc/98/93/54/1033989354.db2.gz QXKVIISDMVCWBH-IUCAKERBSA-N 1 2 336.646 3.888 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2c(Cl)ccc(Cl)c2Cl)C[C@@H]1C ZINC001231482846 1033989366 /nfs/dbraw/zinc/98/93/66/1033989366.db2.gz QXKVIISDMVCWBH-IUCAKERBSA-N 1 2 336.646 3.888 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1C(=O)c1cccs1 ZINC000603883833 1034006137 /nfs/dbraw/zinc/00/61/37/1034006137.db2.gz KOXPSJZCABQSMV-UHFFFAOYSA-N 1 2 347.399 3.879 20 0 EHADLO O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000603883676 1034006925 /nfs/dbraw/zinc/00/69/25/1034006925.db2.gz AQYRHLWKFBBKMP-UHFFFAOYSA-N 1 2 333.750 3.534 20 0 EHADLO CCc1nc2ccc(C(=O)Nc3ccc4[nH+]ccn4c3)cc2nc1CC ZINC000603883342 1034007502 /nfs/dbraw/zinc/00/75/02/1034007502.db2.gz DBPQERYGNFXUSU-UHFFFAOYSA-N 1 2 345.406 3.655 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000658160205 1034018416 /nfs/dbraw/zinc/01/84/16/1034018416.db2.gz WOVGBYVOTIDSLX-IIMJZQEZSA-N 1 2 342.487 3.917 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1Cl ZINC000450271565 1034023556 /nfs/dbraw/zinc/02/35/56/1034023556.db2.gz RHUQZIPUILCJAR-HNNXBMFYSA-N 1 2 334.803 3.760 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1Cl ZINC000450271565 1034023575 /nfs/dbraw/zinc/02/35/75/1034023575.db2.gz RHUQZIPUILCJAR-HNNXBMFYSA-N 1 2 334.803 3.760 20 0 EHADLO CCC1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074869436 1034025192 /nfs/dbraw/zinc/02/51/92/1034025192.db2.gz WPDCONVBOJAVQM-GOSISDBHSA-N 1 2 340.471 3.536 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586487 1034029133 /nfs/dbraw/zinc/02/91/33/1034029133.db2.gz IUUMCWXCDRDGBA-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586487 1034029138 /nfs/dbraw/zinc/02/91/38/1034029138.db2.gz IUUMCWXCDRDGBA-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074870020 1034065723 /nfs/dbraw/zinc/06/57/23/1034065723.db2.gz YTTJFMNNIWBJLV-WMZOPIPTSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1cc(CNC(=O)c2cc([C@H](C)c3ccccc3)n[nH]2)cc(C)[nH+]1 ZINC000529495610 1034071802 /nfs/dbraw/zinc/07/18/02/1034071802.db2.gz HCCAUUYAHSBXNQ-OAHLLOKOSA-N 1 2 334.423 3.503 20 0 EHADLO CCCCN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870363 1034084818 /nfs/dbraw/zinc/08/48/18/1034084818.db2.gz BMSFLXZICZPVLE-QGZVFWFLSA-N 1 2 328.460 3.536 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H]2CCCn3ccnc32)s1 ZINC000658227279 1034085832 /nfs/dbraw/zinc/08/58/32/1034085832.db2.gz YPKGKBKVAZQRIR-NSHDSACASA-N 1 2 326.263 3.640 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cc2ccccc2o1 ZINC000120747886 1034093474 /nfs/dbraw/zinc/09/34/74/1034093474.db2.gz WIAXKAFDONGGSI-WMLDXEAASA-N 1 2 336.391 3.611 20 0 EHADLO COCC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1ccccc1 ZINC000450312963 1034094484 /nfs/dbraw/zinc/09/44/84/1034094484.db2.gz JJAXJSVXCKVGNU-CQSZACIVSA-N 1 2 341.377 3.655 20 0 EHADLO COCC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1ccccc1 ZINC000450312963 1034094498 /nfs/dbraw/zinc/09/44/98/1034094498.db2.gz JJAXJSVXCKVGNU-CQSZACIVSA-N 1 2 341.377 3.655 20 0 EHADLO COc1ccc(C(C)(C)CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000599711328 1034117619 /nfs/dbraw/zinc/11/76/19/1034117619.db2.gz KWBRVDHADPIWDC-UHFFFAOYSA-N 1 2 340.471 3.865 20 0 EHADLO COc1ccc(C(C)(C)CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000599711328 1034117631 /nfs/dbraw/zinc/11/76/31/1034117631.db2.gz KWBRVDHADPIWDC-UHFFFAOYSA-N 1 2 340.471 3.865 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CC=C(c3ccccc3Cl)CC2)c1 ZINC000596178386 1034119377 /nfs/dbraw/zinc/11/93/77/1034119377.db2.gz JAZAXECSLDBYBG-UHFFFAOYSA-N 1 2 342.826 3.744 20 0 EHADLO COCCOC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450338788 1034170402 /nfs/dbraw/zinc/17/04/02/1034170402.db2.gz MIVKFNGPUVPPKW-UHFFFAOYSA-N 1 2 338.810 3.659 20 0 EHADLO COC[C@@H](CC1CCOCC1)[NH2+]CC(F)(F)c1ccccc1C ZINC000658315414 1034192376 /nfs/dbraw/zinc/19/23/76/1034192376.db2.gz UBRVUBGWTKSSDA-MRXNPFEDSA-N 1 2 327.415 3.508 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421798142 1034216439 /nfs/dbraw/zinc/21/64/39/1034216439.db2.gz XTDDKULVNGDAHR-UHOFOFEASA-N 1 2 336.838 3.531 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000421798142 1034216450 /nfs/dbraw/zinc/21/64/50/1034216450.db2.gz XTDDKULVNGDAHR-UHOFOFEASA-N 1 2 336.838 3.531 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000119679771 1034222795 /nfs/dbraw/zinc/22/27/95/1034222795.db2.gz VRQJVVHOCQVBRI-SGTLLEGYSA-N 1 2 342.370 3.607 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N2CCCC3(CCCC3)CC2)c(C)[nH+]1 ZINC000658365230 1034250614 /nfs/dbraw/zinc/25/06/14/1034250614.db2.gz KQFSCEJTSJZNLR-UHFFFAOYSA-N 1 2 343.471 3.518 20 0 EHADLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1Cl ZINC000015301879 1034303071 /nfs/dbraw/zinc/30/30/71/1034303071.db2.gz IVOSGBGHKALJGZ-CQSZACIVSA-N 1 2 348.849 3.658 20 0 EHADLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1Cl ZINC000015301879 1034303084 /nfs/dbraw/zinc/30/30/84/1034303084.db2.gz IVOSGBGHKALJGZ-CQSZACIVSA-N 1 2 348.849 3.658 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456393547 1034395512 /nfs/dbraw/zinc/39/55/12/1034395512.db2.gz YBNKQXAAZGJTDI-WBVHZDCISA-N 1 2 343.858 3.853 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c[nH+]1 ZINC000534324218 1034397150 /nfs/dbraw/zinc/39/71/50/1034397150.db2.gz XJEZHLRJIPOKKV-KRWDZBQOSA-N 1 2 337.427 3.515 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](Cc2ccccc2)CC(C)C)cs1 ZINC000604494829 1034399160 /nfs/dbraw/zinc/39/91/60/1034399160.db2.gz QKDPITJJCICWRY-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](Cc2ccccc2)CC(C)C)cs1 ZINC000604494829 1034399170 /nfs/dbraw/zinc/39/91/70/1034399170.db2.gz QKDPITJJCICWRY-UHFFFAOYSA-N 1 2 332.469 3.978 20 0 EHADLO Cc1ccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c(OC(C)C)c1 ZINC000534325057 1034400353 /nfs/dbraw/zinc/40/03/53/1034400353.db2.gz MSLPSJWLSZTIFG-UHFFFAOYSA-N 1 2 327.428 3.538 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599519 1034419540 /nfs/dbraw/zinc/41/95/40/1034419540.db2.gz QVPLIRKZXWYXRM-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO OC1(C[N@H+](Cc2nnc(C3CC3)s2)Cc2ccccc2)CCCC1 ZINC000450494843 1034427561 /nfs/dbraw/zinc/42/75/61/1034427561.db2.gz PJNDHAMTOMSXFG-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO OC1(C[N@@H+](Cc2nnc(C3CC3)s2)Cc2ccccc2)CCCC1 ZINC000450494843 1034427570 /nfs/dbraw/zinc/42/75/70/1034427570.db2.gz PJNDHAMTOMSXFG-UHFFFAOYSA-N 1 2 343.496 3.723 20 0 EHADLO CC(C)CC[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000604596176 1034432596 /nfs/dbraw/zinc/43/25/96/1034432596.db2.gz MRJRXZIPVQBVQJ-KRWDZBQOSA-N 1 2 346.519 3.764 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000669717701 1034439680 /nfs/dbraw/zinc/43/96/80/1034439680.db2.gz WIPOGFQQJVASRY-IBGZPJMESA-N 1 2 331.410 3.666 20 0 EHADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000669717701 1034439687 /nfs/dbraw/zinc/43/96/87/1034439687.db2.gz WIPOGFQQJVASRY-IBGZPJMESA-N 1 2 331.410 3.666 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000604630071 1034440078 /nfs/dbraw/zinc/44/00/78/1034440078.db2.gz FPMQLNXJCHQGMR-HNNXBMFYSA-N 1 2 342.443 3.929 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604651958 1034445004 /nfs/dbraw/zinc/44/50/04/1034445004.db2.gz ZABVANLHYMOSOX-MSOLQXFVSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096648659 1034468173 /nfs/dbraw/zinc/46/81/73/1034468173.db2.gz FBGBCEHHWGTGJD-BNCSFYMNSA-N 1 2 348.490 3.723 20 0 EHADLO COC(=O)c1csc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000450522747 1034473268 /nfs/dbraw/zinc/47/32/68/1034473268.db2.gz ZSSHWCGRNHWKIC-QGZVFWFLSA-N 1 2 342.464 3.972 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000450522747 1034473276 /nfs/dbraw/zinc/47/32/76/1034473276.db2.gz ZSSHWCGRNHWKIC-QGZVFWFLSA-N 1 2 342.464 3.972 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000648228230 1034520245 /nfs/dbraw/zinc/52/02/45/1034520245.db2.gz ILEVISIJYYPRHM-ZWKOTPCHSA-N 1 2 325.456 3.620 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1C ZINC000597051119 1034523866 /nfs/dbraw/zinc/52/38/66/1034523866.db2.gz IHJXLEWVLWVDDU-UHFFFAOYSA-N 1 2 328.195 3.971 20 0 EHADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000604885298 1034544672 /nfs/dbraw/zinc/54/46/72/1034544672.db2.gz ATLWXVYMCPBKFF-UHFFFAOYSA-N 1 2 338.451 3.785 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cccc(C(F)(F)F)c2)cc1 ZINC000060455447 1034547932 /nfs/dbraw/zinc/54/79/32/1034547932.db2.gz WUFCALROGCUIRY-UHFFFAOYSA-N 1 2 338.329 3.746 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000604963658 1034562167 /nfs/dbraw/zinc/56/21/67/1034562167.db2.gz QZJYZNBRVDJCOC-CMDGGOBGSA-N 1 2 338.436 3.929 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000450629066 1034581403 /nfs/dbraw/zinc/58/14/03/1034581403.db2.gz NXMBHKNJPUPTCL-OAQYLSRUSA-N 1 2 332.451 3.858 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000450629066 1034581416 /nfs/dbraw/zinc/58/14/16/1034581416.db2.gz NXMBHKNJPUPTCL-OAQYLSRUSA-N 1 2 332.451 3.858 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000605052070 1034602885 /nfs/dbraw/zinc/60/28/85/1034602885.db2.gz DXAPPSXZUBJMTA-HNNXBMFYSA-N 1 2 344.434 3.733 20 0 EHADLO O[C@H](C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1)C(F)(F)F ZINC000584466401 1034668856 /nfs/dbraw/zinc/66/88/56/1034668856.db2.gz SFSJYKMLYOGDIT-CQSZACIVSA-N 1 2 328.309 3.514 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1OC(F)F ZINC000450672327 1034674012 /nfs/dbraw/zinc/67/40/12/1034674012.db2.gz YMAVBCCDLFHGRX-JTQLQIEISA-N 1 2 349.303 3.898 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000171890426 1034706312 /nfs/dbraw/zinc/70/63/12/1034706312.db2.gz BYGRYAFHIVLDIC-ZDUSSCGKSA-N 1 2 334.489 3.562 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000171890426 1034706326 /nfs/dbraw/zinc/70/63/26/1034706326.db2.gz BYGRYAFHIVLDIC-ZDUSSCGKSA-N 1 2 334.489 3.562 20 0 EHADLO CC(C)c1ccc(OCCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000605392734 1034726238 /nfs/dbraw/zinc/72/62/38/1034726238.db2.gz YGRPLGJVDAJZHB-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(Cl)cc1F ZINC000450717392 1034730677 /nfs/dbraw/zinc/73/06/77/1034730677.db2.gz LIKONULYNAJYPH-QGZVFWFLSA-N 1 2 336.842 3.968 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450764753 1034757758 /nfs/dbraw/zinc/75/77/58/1034757758.db2.gz RJNYUZOBNNVIRU-IBGZPJMESA-N 1 2 343.492 3.817 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450764753 1034757771 /nfs/dbraw/zinc/75/77/71/1034757771.db2.gz RJNYUZOBNNVIRU-IBGZPJMESA-N 1 2 343.492 3.817 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450764757 1034758446 /nfs/dbraw/zinc/75/84/46/1034758446.db2.gz RJNYUZOBNNVIRU-LJQANCHMSA-N 1 2 343.492 3.817 20 0 EHADLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450764757 1034758465 /nfs/dbraw/zinc/75/84/65/1034758465.db2.gz RJNYUZOBNNVIRU-LJQANCHMSA-N 1 2 343.492 3.817 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000685764942 1034761244 /nfs/dbraw/zinc/76/12/44/1034761244.db2.gz LLKQKQPCOCVGQT-HXUWFJFHSA-N 1 2 349.409 3.587 20 0 EHADLO Cc1ccc(CCC(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000605543132 1034770537 /nfs/dbraw/zinc/77/05/37/1034770537.db2.gz KXEGRKVGFACTDC-UHFFFAOYSA-N 1 2 331.847 3.594 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+]2CC=C(C(C)(C)C)CC2)cs1 ZINC000534656328 1034774889 /nfs/dbraw/zinc/77/48/89/1034774889.db2.gz LXBNPRQDHOFTGH-UHFFFAOYSA-N 1 2 336.501 3.815 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CC=C(C(C)(C)C)CC2)cs1 ZINC000534656328 1034774901 /nfs/dbraw/zinc/77/49/01/1034774901.db2.gz LXBNPRQDHOFTGH-UHFFFAOYSA-N 1 2 336.501 3.815 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000529938254 1034795008 /nfs/dbraw/zinc/79/50/08/1034795008.db2.gz KOSRPEBJRMLOEP-UHFFFAOYSA-N 1 2 343.858 3.965 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)CSCc2ccccc2)c[nH+]1 ZINC000456850294 1034808365 /nfs/dbraw/zinc/80/83/65/1034808365.db2.gz WGKBBTMSCSUSMW-OAHLLOKOSA-N 1 2 328.481 3.884 20 0 EHADLO CCC1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000612348129 1034822935 /nfs/dbraw/zinc/82/29/35/1034822935.db2.gz VAGOZIZNDBMQLU-HUUCEWRRSA-N 1 2 339.430 3.898 20 0 EHADLO CC[N@H+](CC(=O)N1CCC(F)(F)C[C@@H]1C)Cc1ccccc1Cl ZINC000530012204 1034863052 /nfs/dbraw/zinc/86/30/52/1034863052.db2.gz XYTNKJNUSPLJFK-ZDUSSCGKSA-N 1 2 344.833 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCC(F)(F)C[C@@H]1C)Cc1ccccc1Cl ZINC000530012204 1034863061 /nfs/dbraw/zinc/86/30/61/1034863061.db2.gz XYTNKJNUSPLJFK-ZDUSSCGKSA-N 1 2 344.833 3.808 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530039591 1034892826 /nfs/dbraw/zinc/89/28/26/1034892826.db2.gz FIGDGTFYSYFPKF-HXUWFJFHSA-N 1 2 345.446 3.553 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(-c2ccoc2)c1 ZINC000375955976 1035007127 /nfs/dbraw/zinc/00/71/27/1035007127.db2.gz UQRVUKPPDSXAIF-UHFFFAOYSA-N 1 2 335.407 3.752 20 0 EHADLO CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343825693 1035020923 /nfs/dbraw/zinc/02/09/23/1035020923.db2.gz KDAAUFQRRXAASU-HNNXBMFYSA-N 1 2 342.418 3.509 20 0 EHADLO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000343827231 1035116893 /nfs/dbraw/zinc/11/68/93/1035116893.db2.gz AICWHAIDJCZWTM-AUADJRAKSA-N 1 2 348.415 3.750 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000685801495 1035202259 /nfs/dbraw/zinc/20/22/59/1035202259.db2.gz AXEIGYUTLBUPBL-FQEVSTJZSA-N 1 2 348.446 3.512 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000685801495 1035202265 /nfs/dbraw/zinc/20/22/65/1035202265.db2.gz AXEIGYUTLBUPBL-FQEVSTJZSA-N 1 2 348.446 3.512 20 0 EHADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000376100092 1035264589 /nfs/dbraw/zinc/26/45/89/1035264589.db2.gz ZHEJXKOKDCWPOE-ZFWWWQNUSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1noc([C@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000376100092 1035264591 /nfs/dbraw/zinc/26/45/91/1035264591.db2.gz ZHEJXKOKDCWPOE-ZFWWWQNUSA-N 1 2 333.407 3.513 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000376120204 1035290669 /nfs/dbraw/zinc/29/06/69/1035290669.db2.gz YCKHHFWCWIESAO-UHFFFAOYSA-N 1 2 339.483 3.619 20 0 EHADLO Fc1c(Br)ccc(Cl)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010820 1035368507 /nfs/dbraw/zinc/36/85/07/1035368507.db2.gz BLWAPSZIVIWELQ-QMMMGPOBSA-N 1 2 344.558 3.618 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376180089 1035382120 /nfs/dbraw/zinc/38/21/20/1035382120.db2.gz DZOXRXNVYBMLCK-QFBILLFUSA-N 1 2 341.430 3.632 20 0 EHADLO Clc1ccc(Cc2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)cc1Cl ZINC000923782791 1035395499 /nfs/dbraw/zinc/39/54/99/1035395499.db2.gz CAGIWIKNQXTDQP-NXEZZACHSA-N 1 2 335.194 3.961 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571449018 1035498538 /nfs/dbraw/zinc/49/85/38/1035498538.db2.gz HPDBNCYVFIOKBJ-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000456890276 1035502281 /nfs/dbraw/zinc/50/22/81/1035502281.db2.gz ZYLCBODIVXGSLU-RDJZCZTQSA-N 1 2 331.847 3.769 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)c1[nH+]cnc2c1cnn2C ZINC000509713671 1035520877 /nfs/dbraw/zinc/52/08/77/1035520877.db2.gz OZIVUXULKICUBA-UHFFFAOYSA-N 1 2 343.434 3.879 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1ccccc1 ZINC000185849082 1035548881 /nfs/dbraw/zinc/54/88/81/1035548881.db2.gz GTSACQKNRYSRND-UHFFFAOYSA-N 1 2 347.422 3.685 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000571535464 1035550652 /nfs/dbraw/zinc/55/06/52/1035550652.db2.gz OIIPSPFSHAOQCG-KLHKWILBSA-N 1 2 325.456 3.679 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000571535464 1035550660 /nfs/dbraw/zinc/55/06/60/1035550660.db2.gz OIIPSPFSHAOQCG-KLHKWILBSA-N 1 2 325.456 3.679 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000492286543 1035577036 /nfs/dbraw/zinc/57/70/36/1035577036.db2.gz ITOZKGVHXQOXQV-UVLKTZJFSA-N 1 2 344.418 3.548 20 0 EHADLO CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccncc1 ZINC000186336812 1035616425 /nfs/dbraw/zinc/61/64/25/1035616425.db2.gz LTNHEEFNXTYCRL-UHFFFAOYSA-N 1 2 325.441 3.664 20 0 EHADLO CC(C)(CF)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463704084 1035755122 /nfs/dbraw/zinc/75/51/22/1035755122.db2.gz LXCVRDJRNFGOPP-UHFFFAOYSA-N 1 2 330.407 3.756 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457127891 1035761510 /nfs/dbraw/zinc/76/15/10/1035761510.db2.gz QRYNRGMEWYZVCB-DOTOQJQBSA-N 1 2 345.874 3.849 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2coc(-c3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000187142875 1035768206 /nfs/dbraw/zinc/76/82/06/1035768206.db2.gz VJVIIESRIQYBHI-DEOSSOPVSA-N 1 2 344.411 3.941 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(-c3cccs3)o2)c(C)[nH+]1 ZINC000187156887 1035777061 /nfs/dbraw/zinc/77/70/61/1035777061.db2.gz ZKIBXNFQQBUBPU-JOCHJYFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2ncc(-c3ccccc3F)o2)c(C)[nH+]1 ZINC000187209999 1035784614 /nfs/dbraw/zinc/78/46/14/1035784614.db2.gz KOGWHZUXFKHZEZ-XMMPIXPASA-N 1 2 344.411 3.941 20 0 EHADLO Cc1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)c(C)[nH+]1 ZINC000187211707 1035785846 /nfs/dbraw/zinc/78/58/46/1035785846.db2.gz RGRQWYHVRKFKMF-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1cncc(F)c1 ZINC000414152804 1035798454 /nfs/dbraw/zinc/79/84/54/1035798454.db2.gz YHPDTGQFFYYFBN-IUCAKERBSA-N 1 2 342.187 3.929 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1nc2c(s1)CCC2 ZINC000414158131 1035810800 /nfs/dbraw/zinc/81/08/00/1035810800.db2.gz UEOIFGCSIWWOPH-NWDGAFQWSA-N 1 2 326.469 3.930 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccn1 ZINC000187469970 1035828127 /nfs/dbraw/zinc/82/81/27/1035828127.db2.gz CZMDWBPACHGWNR-JTQLQIEISA-N 1 2 331.217 3.571 20 0 EHADLO CCc1nc(C)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000570936539 1035857345 /nfs/dbraw/zinc/85/73/45/1035857345.db2.gz KPGXGLWSDRNSIU-HDJSIYSDSA-N 1 2 344.484 3.562 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588273095 1035875225 /nfs/dbraw/zinc/87/52/25/1035875225.db2.gz WGYOWNSVPMDWOS-OAHLLOKOSA-N 1 2 330.457 3.512 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(F)c(F)c1 ZINC000588359931 1035909614 /nfs/dbraw/zinc/90/96/14/1035909614.db2.gz MFCBDCCSFUVJMC-UHFFFAOYSA-N 1 2 329.350 3.517 20 0 EHADLO Cc1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c(C)c[nH+]1 ZINC000535036261 1035918222 /nfs/dbraw/zinc/91/82/22/1035918222.db2.gz KRSVCSMXGDHUBA-UHFFFAOYSA-N 1 2 332.407 3.536 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(C)C)cc3F)[nH+]c12 ZINC000588371400 1035925651 /nfs/dbraw/zinc/92/56/51/1035925651.db2.gz ZZWDZJBUGBVHHE-UHFFFAOYSA-N 1 2 341.386 3.750 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000541032958 1035928144 /nfs/dbraw/zinc/92/81/44/1035928144.db2.gz FYFPTGWJJOELBO-RDJZCZTQSA-N 1 2 332.463 3.857 20 0 EHADLO CCC(CC)(C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000588638252 1035938490 /nfs/dbraw/zinc/93/84/90/1035938490.db2.gz SJQSMSFMQSODMU-AWEZNQCLSA-N 1 2 333.863 3.799 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457284647 1035939170 /nfs/dbraw/zinc/93/91/70/1035939170.db2.gz QEOHNGSWWVAYEN-MJGOQNOKSA-N 1 2 335.451 3.589 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c(C)c[nH+]1 ZINC000535060838 1035943278 /nfs/dbraw/zinc/94/32/78/1035943278.db2.gz KYNLMYAWAFDMHG-UHFFFAOYSA-N 1 2 329.831 3.970 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)c(C)c[nH+]1 ZINC000535061331 1035946696 /nfs/dbraw/zinc/94/66/96/1035946696.db2.gz MOVZCSOKWYJYBY-CQSZACIVSA-N 1 2 331.416 3.618 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(OC[C@@H]2CCOC2)c1 ZINC000535064764 1035948010 /nfs/dbraw/zinc/94/80/10/1035948010.db2.gz BRZJFZZCDOIFNH-LSDHHAIUSA-N 1 2 332.469 3.718 20 0 EHADLO Cc1cc(NC(=O)N(CCc2ccccc2)CC(C)C)c(C)c[nH+]1 ZINC000535059469 1035968777 /nfs/dbraw/zinc/96/87/77/1035968777.db2.gz JHBDUOBCAPTMPY-UHFFFAOYSA-N 1 2 325.456 3.853 20 0 EHADLO Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)c(C)c[nH+]1 ZINC000535059422 1035970069 /nfs/dbraw/zinc/97/00/69/1035970069.db2.gz HDTINLVDVPTONL-OAHLLOKOSA-N 1 2 337.345 3.936 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@@H]3c3ccccn3)c(C(C)C)nc2s1 ZINC000535067397 1035983233 /nfs/dbraw/zinc/98/32/33/1035983233.db2.gz RDVCSEVJKAGQQI-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@@H]3c3ccccn3)c(C(C)C)nc2s1 ZINC000535067397 1035983259 /nfs/dbraw/zinc/98/32/59/1035983259.db2.gz RDVCSEVJKAGQQI-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000572133463 1036011003 /nfs/dbraw/zinc/01/10/03/1036011003.db2.gz CAHGFJMEBGVOMB-IIBYNOLFSA-N 1 2 345.446 3.763 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000572133463 1036011021 /nfs/dbraw/zinc/01/10/21/1036011021.db2.gz CAHGFJMEBGVOMB-IIBYNOLFSA-N 1 2 345.446 3.763 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccn(C)n1 ZINC000414201778 1036030437 /nfs/dbraw/zinc/03/04/37/1036030437.db2.gz YSIGKCHBGVHADW-OTYXRUKQSA-N 1 2 338.224 3.660 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000613484203 1036037577 /nfs/dbraw/zinc/03/75/77/1036037577.db2.gz RNSOSNXNLKKSNN-UHFFFAOYSA-N 1 2 326.440 3.718 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000613484203 1036037602 /nfs/dbraw/zinc/03/76/02/1036037602.db2.gz RNSOSNXNLKKSNN-UHFFFAOYSA-N 1 2 326.440 3.718 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nnc(-c4cccs4)n3C)cn2c1 ZINC000010710288 1036039256 /nfs/dbraw/zinc/03/92/56/1036039256.db2.gz PCDXEAKKZHSBCR-UHFFFAOYSA-N 1 2 341.465 3.792 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000572208124 1036040452 /nfs/dbraw/zinc/04/04/52/1036040452.db2.gz RPLJLWMOHWRJGK-CHWSQXEVSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000572208127 1036040338 /nfs/dbraw/zinc/04/03/38/1036040338.db2.gz RPLJLWMOHWRJGK-STQMWFEESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000572208127 1036040358 /nfs/dbraw/zinc/04/03/58/1036040358.db2.gz RPLJLWMOHWRJGK-STQMWFEESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000572208124 1036040430 /nfs/dbraw/zinc/04/04/30/1036040430.db2.gz RPLJLWMOHWRJGK-CHWSQXEVSA-N 1 2 327.827 3.810 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000457385940 1036049117 /nfs/dbraw/zinc/04/91/17/1036049117.db2.gz MCIJCBWJZGDVMI-WBVHZDCISA-N 1 2 346.862 3.562 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163174 1036050922 /nfs/dbraw/zinc/05/09/22/1036050922.db2.gz KMSNFANPPSNQCL-XNJJOIOASA-N 1 2 342.405 3.792 20 0 EHADLO CCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163174 1036050939 /nfs/dbraw/zinc/05/09/39/1036050939.db2.gz KMSNFANPPSNQCL-XNJJOIOASA-N 1 2 342.405 3.792 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572246558 1036056874 /nfs/dbraw/zinc/05/68/74/1036056874.db2.gz GQYOMWSLLBDSCI-RIFZZMRRSA-N 1 2 325.456 3.910 20 0 EHADLO COc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)cc1 ZINC000613484769 1036056797 /nfs/dbraw/zinc/05/67/97/1036056797.db2.gz MTDTXGKIDXSKEB-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cc1 ZINC000613484769 1036056817 /nfs/dbraw/zinc/05/68/17/1036056817.db2.gz MTDTXGKIDXSKEB-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000457399120 1036061661 /nfs/dbraw/zinc/06/16/61/1036061661.db2.gz IQCICYQFZCNGOX-UHFFFAOYSA-N 1 2 325.456 3.620 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332753194 1036070713 /nfs/dbraw/zinc/07/07/13/1036070713.db2.gz HRTWZSHMOOTVOL-LUKYLMHMSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000457395078 1036085451 /nfs/dbraw/zinc/08/54/51/1036085451.db2.gz XNEXKIQGNHTKGS-KRWDZBQOSA-N 1 2 346.862 3.863 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)Cc3ccsc3)CC2)s1 ZINC000541222003 1036100375 /nfs/dbraw/zinc/10/03/75/1036100375.db2.gz RBWRLRVAUKQXTC-ZDUSSCGKSA-N 1 2 334.510 3.507 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000457469626 1036134323 /nfs/dbraw/zinc/13/43/23/1036134323.db2.gz VXMVSQKWFPYJJH-XHSDSOJGSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000457469626 1036134336 /nfs/dbraw/zinc/13/43/36/1036134336.db2.gz VXMVSQKWFPYJJH-XHSDSOJGSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174979844 1036156829 /nfs/dbraw/zinc/15/68/29/1036156829.db2.gz ZSOBAKDUJWGUHW-LPHOPBHVSA-N 1 2 329.465 3.543 20 0 EHADLO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174979844 1036156837 /nfs/dbraw/zinc/15/68/37/1036156837.db2.gz ZSOBAKDUJWGUHW-LPHOPBHVSA-N 1 2 329.465 3.543 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000457496153 1036196908 /nfs/dbraw/zinc/19/69/08/1036196908.db2.gz ZQEVHBFDTQBIKH-SNVBAGLBSA-N 1 2 335.395 3.656 20 0 EHADLO CC(C)C[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175188764 1036233990 /nfs/dbraw/zinc/23/39/90/1036233990.db2.gz JEXYKKDMZAXQOD-UHFFFAOYSA-N 1 2 345.270 3.549 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535263826 1036253677 /nfs/dbraw/zinc/25/36/77/1036253677.db2.gz BQWCACQPLCERAQ-RQOWECAXSA-N 1 2 344.455 3.635 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(OC)c1 ZINC000024952462 1036277110 /nfs/dbraw/zinc/27/71/10/1036277110.db2.gz YLLBZSCTSILPBV-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(OC)c1 ZINC000024952462 1036277139 /nfs/dbraw/zinc/27/71/39/1036277139.db2.gz YLLBZSCTSILPBV-UHFFFAOYSA-N 1 2 337.423 3.522 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1csc(Cl)c1 ZINC000414266534 1036363774 /nfs/dbraw/zinc/36/37/74/1036363774.db2.gz VXBIPYVGUOCBGT-JTQLQIEISA-N 1 2 329.874 3.656 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)C ZINC000191337269 1036369004 /nfs/dbraw/zinc/36/90/04/1036369004.db2.gz YVDLLRUVOAPFEK-CZUORRHYSA-N 1 2 330.480 3.673 20 0 EHADLO CCc1nc(C)c([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)s1 ZINC000414269538 1036377558 /nfs/dbraw/zinc/37/75/58/1036377558.db2.gz XYMTVAQTVFZSMM-QMMMGPOBSA-N 1 2 330.379 3.674 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C2CCC2)cc1 ZINC000191665670 1036402358 /nfs/dbraw/zinc/40/23/58/1036402358.db2.gz RBUAXJAFCXJUJB-UHFFFAOYSA-N 1 2 335.451 3.879 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000191657786 1036403241 /nfs/dbraw/zinc/40/32/41/1036403241.db2.gz KOSAENCEWIPKKP-QGZVFWFLSA-N 1 2 349.434 3.843 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131518 1036404776 /nfs/dbraw/zinc/40/47/76/1036404776.db2.gz RIPDPOAOVIFGNG-INIZCTEOSA-N 1 2 349.887 3.633 20 0 EHADLO c1cn(-c2ccccc2)c(CNc2ccc(N3CCCCC3)c[nH+]2)n1 ZINC000191530370 1036409520 /nfs/dbraw/zinc/40/95/20/1036409520.db2.gz VOJFUUFYXLWKBU-UHFFFAOYSA-N 1 2 333.439 3.870 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(-c3ccccc3)o2)cn1 ZINC000191739018 1036424093 /nfs/dbraw/zinc/42/40/93/1036424093.db2.gz UGZAOTIZDWHOEE-SFHVURJKSA-N 1 2 339.464 3.970 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(-c3ccccc3)o2)cn1 ZINC000191739018 1036424102 /nfs/dbraw/zinc/42/41/02/1036424102.db2.gz UGZAOTIZDWHOEE-SFHVURJKSA-N 1 2 339.464 3.970 20 0 EHADLO c1nc2cc(C[N@@H+]3CCCC[C@@H]3c3nnc(C4CCC4)o3)ccc2[nH]1 ZINC000572646884 1036445980 /nfs/dbraw/zinc/44/59/80/1036445980.db2.gz OUFDUXFZWOZISV-QGZVFWFLSA-N 1 2 337.427 3.941 20 0 EHADLO c1nc2cc(C[N@H+]3CCCC[C@@H]3c3nnc(C4CCC4)o3)ccc2[nH]1 ZINC000572646884 1036445985 /nfs/dbraw/zinc/44/59/85/1036445985.db2.gz OUFDUXFZWOZISV-QGZVFWFLSA-N 1 2 337.427 3.941 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C/c2c(Cl)nc3ccccn32)c(C)[nH+]1 ZINC000491321368 1036451050 /nfs/dbraw/zinc/45/10/50/1036451050.db2.gz PQSYHNZLERYNJT-BQYQJAHWSA-N 1 2 340.814 3.960 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000464544614 1036537645 /nfs/dbraw/zinc/53/76/45/1036537645.db2.gz NZUYDXRDDIGGRP-SQNIBIBYSA-N 1 2 344.503 3.979 20 0 EHADLO CCc1nc(C)c(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000572871259 1036541919 /nfs/dbraw/zinc/54/19/19/1036541919.db2.gz CXDVQZJTEKFBEW-CQSZACIVSA-N 1 2 340.452 3.898 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000457849377 1036554609 /nfs/dbraw/zinc/55/46/09/1036554609.db2.gz FTJSHWFSPVYXQI-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO Cc1cccc(OCC[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000541688639 1036560426 /nfs/dbraw/zinc/56/04/26/1036560426.db2.gz TXTBENPYFLYCPP-INIZCTEOSA-N 1 2 337.423 3.698 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(CC(C)C)CC2)c1C ZINC000760746625 1036561625 /nfs/dbraw/zinc/56/16/25/1036561625.db2.gz MWPYAIVGTXKNSU-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892606976 1036575826 /nfs/dbraw/zinc/57/58/26/1036575826.db2.gz NIPDMURYVCAYSR-UHFFFAOYSA-N 1 2 328.431 3.594 20 0 EHADLO Cc1ccccc1C[NH+]1CCC(NCc2ccc(O)c(F)c2)CC1 ZINC000892606976 1036575848 /nfs/dbraw/zinc/57/58/48/1036575848.db2.gz NIPDMURYVCAYSR-UHFFFAOYSA-N 1 2 328.431 3.594 20 0 EHADLO Cc1ccccc1CN1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892606976 1036575864 /nfs/dbraw/zinc/57/58/64/1036575864.db2.gz NIPDMURYVCAYSR-UHFFFAOYSA-N 1 2 328.431 3.594 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000589686085 1036591661 /nfs/dbraw/zinc/59/16/61/1036591661.db2.gz NTGASWQIOSXOBC-UHFFFAOYSA-N 1 2 339.483 3.930 20 0 EHADLO CCn1cc(C[NH2+][C@@H](c2cccs2)c2ccc(Cl)cc2)nn1 ZINC000892607186 1036599909 /nfs/dbraw/zinc/59/99/09/1036599909.db2.gz IQYVQGBJEKPKEB-MRXNPFEDSA-N 1 2 332.860 3.892 20 0 EHADLO CCCc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1-c1ccc(C)cc1 ZINC000428782586 1036628649 /nfs/dbraw/zinc/62/86/49/1036628649.db2.gz HDBQMKWKQFOQOQ-UHFFFAOYSA-N 1 2 334.423 3.511 20 0 EHADLO CC[C@@H](Oc1ccccc1C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000176501036 1036631540 /nfs/dbraw/zinc/63/15/40/1036631540.db2.gz WKYJBPSVMRIZQB-QGZVFWFLSA-N 1 2 341.455 3.556 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(Cl)s1 ZINC000302589073 1036643782 /nfs/dbraw/zinc/64/37/82/1036643782.db2.gz HIPDCXKQYYZQHV-JSGCOSHPSA-N 1 2 328.909 3.918 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(Cl)s1 ZINC000302589073 1036643794 /nfs/dbraw/zinc/64/37/94/1036643794.db2.gz HIPDCXKQYYZQHV-JSGCOSHPSA-N 1 2 328.909 3.918 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000376419000 1036652053 /nfs/dbraw/zinc/65/20/53/1036652053.db2.gz FDBMLKLOMJVIAL-NVXWUHKLSA-N 1 2 345.874 3.655 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)ccc1SC ZINC000414322250 1036670694 /nfs/dbraw/zinc/67/06/94/1036670694.db2.gz GPOIXZGJTIVWPN-SNVBAGLBSA-N 1 2 335.498 3.997 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590006556 1036696744 /nfs/dbraw/zinc/69/67/44/1036696744.db2.gz FMIACJBTDDEQIR-LBPRGKRZSA-N 1 2 348.855 3.505 20 0 EHADLO c1nc2ccc(C[NH2+][C@H](CN3CCCCC3)c3ccccc3)cc2[nH]1 ZINC000590075679 1036730169 /nfs/dbraw/zinc/73/01/69/1036730169.db2.gz WBZJWEDZQNCODF-OAQYLSRUSA-N 1 2 334.467 3.880 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000590063986 1036745007 /nfs/dbraw/zinc/74/50/07/1036745007.db2.gz FEPUPBDHFXSYOQ-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000590063986 1036745023 /nfs/dbraw/zinc/74/50/23/1036745023.db2.gz FEPUPBDHFXSYOQ-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2F)c(N(C)C)[nH+]1 ZINC000162077571 1036748308 /nfs/dbraw/zinc/74/83/08/1036748308.db2.gz WYTIEBXUSBPMLO-CYBMUJFWSA-N 1 2 330.407 3.820 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525228 1036751976 /nfs/dbraw/zinc/75/19/76/1036751976.db2.gz CSEUIYCTGDPZRT-WMZOPIPTSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000151525228 1036751995 /nfs/dbraw/zinc/75/19/95/1036751995.db2.gz CSEUIYCTGDPZRT-WMZOPIPTSA-N 1 2 333.435 3.540 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000102694322 1036772553 /nfs/dbraw/zinc/77/25/53/1036772553.db2.gz WSDKVBWTIQRDAJ-GFCCVEGCSA-N 1 2 329.469 3.831 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000176258519 1036796790 /nfs/dbraw/zinc/79/67/90/1036796790.db2.gz ICKYKBVMUIUFMY-UHFFFAOYSA-N 1 2 339.483 3.930 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC(C)(C)C2)c(Br)c1 ZINC000464797837 1036813943 /nfs/dbraw/zinc/81/39/43/1036813943.db2.gz HCKCIBOKOLVDRP-GFCCVEGCSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC(C)(C)C2)c(Br)c1 ZINC000464797837 1036813960 /nfs/dbraw/zinc/81/39/60/1036813960.db2.gz HCKCIBOKOLVDRP-GFCCVEGCSA-N 1 2 339.277 3.816 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H](C2CCC2)C1 ZINC000666333469 1036848705 /nfs/dbraw/zinc/84/87/05/1036848705.db2.gz ZNUHZOYUPJJYOK-OAHLLOKOSA-N 1 2 348.516 3.783 20 0 EHADLO CC[C@@H](c1nnc(SCC(C)(C)O)n1C1CCCCC1)[NH+](C)C ZINC000103168100 1036849020 /nfs/dbraw/zinc/84/90/20/1036849020.db2.gz YTDJPNMINAEONE-AWEZNQCLSA-N 1 2 340.537 3.659 20 0 EHADLO Cc1nc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000541952231 1036887668 /nfs/dbraw/zinc/88/76/68/1036887668.db2.gz LTHFARDJBFOFFQ-CQSZACIVSA-N 1 2 330.375 3.602 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000572929898 1036917226 /nfs/dbraw/zinc/91/72/26/1036917226.db2.gz RTXXAVOOBFECGT-INIZCTEOSA-N 1 2 349.434 3.778 20 0 EHADLO CCC[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000590526098 1036943030 /nfs/dbraw/zinc/94/30/30/1036943030.db2.gz BGCOTPIBFXTOFB-GOSISDBHSA-N 1 2 344.503 3.662 20 0 EHADLO C[C@H](CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000376453445 1036951899 /nfs/dbraw/zinc/95/18/99/1036951899.db2.gz FPNABTNNUPCVCB-MRXNPFEDSA-N 1 2 340.471 3.555 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590650492 1036990880 /nfs/dbraw/zinc/99/08/80/1036990880.db2.gz DKFMLFONTGLGPW-OAHLLOKOSA-N 1 2 336.819 3.787 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590650492 1036990897 /nfs/dbraw/zinc/99/08/97/1036990897.db2.gz DKFMLFONTGLGPW-OAHLLOKOSA-N 1 2 336.819 3.787 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414365851 1037032685 /nfs/dbraw/zinc/03/26/85/1037032685.db2.gz NKOBZQSLWKMNEH-CQSZACIVSA-N 1 2 349.521 3.952 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414365851 1037032703 /nfs/dbraw/zinc/03/27/03/1037032703.db2.gz NKOBZQSLWKMNEH-CQSZACIVSA-N 1 2 349.521 3.952 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590732124 1037036355 /nfs/dbraw/zinc/03/63/55/1037036355.db2.gz CLMFDBZRIQVEJC-AWEZNQCLSA-N 1 2 329.400 3.714 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+]2CCCc3cc(OC)ccc3C2)n1 ZINC000590789934 1037060914 /nfs/dbraw/zinc/06/09/14/1037060914.db2.gz RXGDSWRHTIYGLX-CQSZACIVSA-N 1 2 329.444 3.930 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+]2CCCc3cc(OC)ccc3C2)n1 ZINC000590789934 1037060934 /nfs/dbraw/zinc/06/09/34/1037060934.db2.gz RXGDSWRHTIYGLX-CQSZACIVSA-N 1 2 329.444 3.930 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3cccn3C)n2)ccc1F ZINC000178679310 1037075357 /nfs/dbraw/zinc/07/53/57/1037075357.db2.gz BDOUPPSOKOTBLN-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccn3C)n2)ccc1F ZINC000178679310 1037075376 /nfs/dbraw/zinc/07/53/76/1037075376.db2.gz BDOUPPSOKOTBLN-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590845438 1037080972 /nfs/dbraw/zinc/08/09/72/1037080972.db2.gz NONJJMCEGPQTFL-KBPBESRZSA-N 1 2 332.835 3.644 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)Cn1cc[nH+]c1 ZINC000176658513 1037102511 /nfs/dbraw/zinc/10/25/11/1037102511.db2.gz FERBBTWHEWCRTF-AWEZNQCLSA-N 1 2 333.863 3.558 20 0 EHADLO C=C(Br)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000057753133 1037118346 /nfs/dbraw/zinc/11/83/46/1037118346.db2.gz UAQHRSPWVUCZSP-UHFFFAOYSA-N 1 2 343.696 3.756 20 0 EHADLO C=C(Br)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000057753133 1037118356 /nfs/dbraw/zinc/11/83/56/1037118356.db2.gz UAQHRSPWVUCZSP-UHFFFAOYSA-N 1 2 343.696 3.756 20 0 EHADLO C=C(Br)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000057753133 1037118362 /nfs/dbraw/zinc/11/83/62/1037118362.db2.gz UAQHRSPWVUCZSP-UHFFFAOYSA-N 1 2 343.696 3.756 20 0 EHADLO C=C(Br)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000057753133 1037118338 /nfs/dbraw/zinc/11/83/38/1037118338.db2.gz UAQHRSPWVUCZSP-UHFFFAOYSA-N 1 2 343.696 3.756 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(CC(C)C)CC3)cn2c1 ZINC000465073868 1037118273 /nfs/dbraw/zinc/11/82/73/1037118273.db2.gz JMGQPPUWEZDBAA-UHFFFAOYSA-N 1 2 345.512 3.818 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC2(CCCC2)CC1 ZINC000573019711 1037158316 /nfs/dbraw/zinc/15/83/16/1037158316.db2.gz IOLMFLQNSRNJSZ-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO CC1=CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000539825628 1037229901 /nfs/dbraw/zinc/22/99/01/1037229901.db2.gz FJYHMUULGTUIRE-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO CC1=CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000539825628 1037229917 /nfs/dbraw/zinc/22/99/17/1037229917.db2.gz FJYHMUULGTUIRE-UHFFFAOYSA-N 1 2 338.245 3.762 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000591140667 1037233641 /nfs/dbraw/zinc/23/36/41/1037233641.db2.gz NGVYZZFXZSCPKD-QGZVFWFLSA-N 1 2 336.439 3.551 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000591142630 1037247450 /nfs/dbraw/zinc/24/74/50/1037247450.db2.gz OYUQMUDMAYODCN-AWEZNQCLSA-N 1 2 349.837 3.690 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC000591249241 1037270088 /nfs/dbraw/zinc/27/00/88/1037270088.db2.gz IHKJXNGVEMHRLV-KRWDZBQOSA-N 1 2 338.451 3.651 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccsc1 ZINC000573102295 1037307098 /nfs/dbraw/zinc/30/70/98/1037307098.db2.gz VRLDKQTZKJPTRQ-FVQBIDKESA-N 1 2 329.469 3.786 20 0 EHADLO Cc1cc(CNC(=O)/C=C/c2cnc(C(C)(C)C)s2)cc(C)[nH+]1 ZINC000493427818 1037355968 /nfs/dbraw/zinc/35/59/68/1037355968.db2.gz VXQPGSSCGGRSAN-VOTSOKGWSA-N 1 2 329.469 3.782 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Nc3ccccc3)n2)[C@H]1[C@H]1CCCO1 ZINC000573169471 1037361513 /nfs/dbraw/zinc/36/15/13/1037361513.db2.gz GDBZJDLWNCRWLT-SJORKVTESA-N 1 2 343.496 3.698 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Nc3ccccc3)n2)[C@H]1[C@H]1CCCO1 ZINC000573169471 1037361524 /nfs/dbraw/zinc/36/15/24/1037361524.db2.gz GDBZJDLWNCRWLT-SJORKVTESA-N 1 2 343.496 3.698 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000376515125 1037383430 /nfs/dbraw/zinc/38/34/30/1037383430.db2.gz NQNIGHXRPKPQSX-UKRRQHHQSA-N 1 2 346.272 3.865 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000376515125 1037383451 /nfs/dbraw/zinc/38/34/51/1037383451.db2.gz NQNIGHXRPKPQSX-UKRRQHHQSA-N 1 2 346.272 3.865 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)Nc1cccc(COC2CCCCC2)c1 ZINC000493496530 1037416943 /nfs/dbraw/zinc/41/69/43/1037416943.db2.gz WWWPWEBPMJVPSD-KTKRTIGZSA-N 1 2 325.412 3.911 20 0 EHADLO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(N(C)C)[nH+]1 ZINC000152627348 1037436694 /nfs/dbraw/zinc/43/66/94/1037436694.db2.gz WRGGTXTZPIBNQA-UHFFFAOYSA-N 1 2 341.308 3.866 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1cccnc1 ZINC000491506880 1037514476 /nfs/dbraw/zinc/51/44/76/1037514476.db2.gz QKAWGEILWJGGFJ-SONCPKABSA-N 1 2 344.418 3.644 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000493645524 1037526817 /nfs/dbraw/zinc/52/68/17/1037526817.db2.gz DYZZBZDCXIDJIG-GOFGQWHPSA-N 1 2 327.453 3.969 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000613544623 1037534176 /nfs/dbraw/zinc/53/41/76/1037534176.db2.gz GWEPOWCTYHVUCG-NSHDSACASA-N 1 2 340.901 3.982 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000491518581 1037534425 /nfs/dbraw/zinc/53/44/25/1037534425.db2.gz DXOXCQPHVRYNQV-OJLWIZQOSA-N 1 2 329.403 3.859 20 0 EHADLO CC(C)N(Cc1ccccn1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491520020 1037534598 /nfs/dbraw/zinc/53/45/98/1037534598.db2.gz LLKCUGWRAYEDMP-FLIBITNWSA-N 1 2 346.434 3.718 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000613546603 1037540452 /nfs/dbraw/zinc/54/04/52/1037540452.db2.gz ZMAIRGUZZMFACI-JKSUJKDBSA-N 1 2 332.513 3.924 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)CC3CCCC3)c(=S)n2C)cc1 ZINC000058207578 1037652845 /nfs/dbraw/zinc/65/28/45/1037652845.db2.gz FGGRWMLZSOIVGR-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)CC3CCCC3)c(=S)n2C)cc1 ZINC000058207578 1037652859 /nfs/dbraw/zinc/65/28/59/1037652859.db2.gz FGGRWMLZSOIVGR-UHFFFAOYSA-N 1 2 346.500 3.706 20 0 EHADLO c1csc(-c2noc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)n2)c1 ZINC000591812382 1037654439 /nfs/dbraw/zinc/65/44/39/1037654439.db2.gz XWFBRXAUOLHYMC-HNNXBMFYSA-N 1 2 341.436 3.762 20 0 EHADLO c1csc(-c2noc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)n2)c1 ZINC000591812382 1037654444 /nfs/dbraw/zinc/65/44/44/1037654444.db2.gz XWFBRXAUOLHYMC-HNNXBMFYSA-N 1 2 341.436 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650701 1037670162 /nfs/dbraw/zinc/67/01/62/1037670162.db2.gz VVFSHHZFPJKXJI-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650701 1037670175 /nfs/dbraw/zinc/67/01/75/1037670175.db2.gz VVFSHHZFPJKXJI-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000532577095 1037684419 /nfs/dbraw/zinc/68/44/19/1037684419.db2.gz SUPKMHKNPVCKBU-FQEVSTJZSA-N 1 2 339.435 3.753 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCSc2ccc(Cl)cc2)c[nH+]1 ZINC000454149105 1037720657 /nfs/dbraw/zinc/72/06/57/1037720657.db2.gz FUBDUDLMOFVPRM-UHFFFAOYSA-N 1 2 349.887 3.943 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000029533587 1037723641 /nfs/dbraw/zinc/72/36/41/1037723641.db2.gz LYNFHIKXJCZGPT-FQEVSTJZSA-N 1 2 335.403 3.675 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000029533587 1037723659 /nfs/dbraw/zinc/72/36/59/1037723659.db2.gz LYNFHIKXJCZGPT-FQEVSTJZSA-N 1 2 335.403 3.675 20 0 EHADLO Fc1ccccc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000182045598 1037741626 /nfs/dbraw/zinc/74/16/26/1037741626.db2.gz GOVKCZIMFPCFJK-UHFFFAOYSA-N 1 2 335.426 3.823 20 0 EHADLO CC(C)n1cc([C@@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000491866969 1037744633 /nfs/dbraw/zinc/74/46/33/1037744633.db2.gz MCKZRKDGRLBWQI-YXMGTMDOSA-N 1 2 349.438 3.540 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1[C@H]2CCCCCC[C@H]12 ZINC000666640781 1037751603 /nfs/dbraw/zinc/75/16/03/1037751603.db2.gz VDZIDXDYOWKDDT-ROUUACIJSA-N 1 2 341.499 3.905 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000573814830 1037758387 /nfs/dbraw/zinc/75/83/87/1037758387.db2.gz VTLLCCLLOYHMBA-UGSOOPFHSA-N 1 2 329.419 3.775 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000573814830 1037758405 /nfs/dbraw/zinc/75/84/05/1037758405.db2.gz VTLLCCLLOYHMBA-UGSOOPFHSA-N 1 2 329.419 3.775 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCSc2ccc(F)cc2)c[nH+]1 ZINC000454157321 1037803728 /nfs/dbraw/zinc/80/37/28/1037803728.db2.gz CPKNXQPFSOQCAN-UHFFFAOYSA-N 1 2 347.459 3.819 20 0 EHADLO CCCc1csc(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000494125948 1037844864 /nfs/dbraw/zinc/84/48/64/1037844864.db2.gz LXOODLSUCLZIPM-KRWDZBQOSA-N 1 2 329.513 3.850 20 0 EHADLO CCCc1csc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494125948 1037844890 /nfs/dbraw/zinc/84/48/90/1037844890.db2.gz LXOODLSUCLZIPM-KRWDZBQOSA-N 1 2 329.513 3.850 20 0 EHADLO Cn1c(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000592158901 1037858727 /nfs/dbraw/zinc/85/87/27/1037858727.db2.gz MASBXHJVFNYDQV-UHFFFAOYSA-N 1 2 343.471 3.517 20 0 EHADLO COCC(C)(C)CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000494161851 1037892345 /nfs/dbraw/zinc/89/23/45/1037892345.db2.gz ICBRYUYMHSRNNJ-UHFFFAOYSA-N 1 2 333.501 3.860 20 0 EHADLO COCC(C)(C)CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000494161851 1037892358 /nfs/dbraw/zinc/89/23/58/1037892358.db2.gz ICBRYUYMHSRNNJ-UHFFFAOYSA-N 1 2 333.501 3.860 20 0 EHADLO O=C(CCCCc1ccc(Cl)c(Cl)c1)NCCn1cc[nH+]c1 ZINC000163881676 1037906815 /nfs/dbraw/zinc/90/68/15/1037906815.db2.gz USJDRQJJVMAJNG-UHFFFAOYSA-N 1 2 340.254 3.719 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000532623068 1037928712 /nfs/dbraw/zinc/92/87/12/1037928712.db2.gz MHQJLBAKMYPBIJ-UHFFFAOYSA-N 1 2 345.752 3.766 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)ccn12 ZINC000573979788 1037962571 /nfs/dbraw/zinc/96/25/71/1037962571.db2.gz OSGRVBMLRSHLNW-GOSISDBHSA-N 1 2 337.398 3.629 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000540463578 1037964286 /nfs/dbraw/zinc/96/42/86/1037964286.db2.gz DYYAXLZFFCDYEV-BHYGNILZSA-N 1 2 334.891 3.729 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000540463578 1037964295 /nfs/dbraw/zinc/96/42/95/1037964295.db2.gz DYYAXLZFFCDYEV-BHYGNILZSA-N 1 2 334.891 3.729 20 0 EHADLO Fc1cc(NCc2cncc(Br)c2)ccc1-n1cc[nH+]c1 ZINC000183740217 1037965869 /nfs/dbraw/zinc/96/58/69/1037965869.db2.gz MVPZHJAAJBOPHA-UHFFFAOYSA-N 1 2 347.191 3.781 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000540453198 1037973124 /nfs/dbraw/zinc/97/31/24/1037973124.db2.gz QJJGJZWPENYKEP-UHFFFAOYSA-N 1 2 346.500 3.906 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000540455436 1037977329 /nfs/dbraw/zinc/97/73/29/1037977329.db2.gz IWRMLALGOIMENZ-NSHDSACASA-N 1 2 336.794 3.777 20 0 EHADLO Cc1ccn2c(C[NH2+]C(C)(C)c3cc(C(F)(F)F)on3)cnc2c1 ZINC000492107973 1037988599 /nfs/dbraw/zinc/98/85/99/1037988599.db2.gz PUYSALIPKOREBC-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000123613225 1038046346 /nfs/dbraw/zinc/04/63/46/1038046346.db2.gz SCNFKRCNQHOLNU-SFHVURJKSA-N 1 2 327.428 3.939 20 0 EHADLO O=C(Nc1cccc(F)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278823251 1038114757 /nfs/dbraw/zinc/11/47/57/1038114757.db2.gz RFXVECFQHKNUPK-UHFFFAOYSA-N 1 2 342.418 3.770 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1ccco1 ZINC000124198892 1038150024 /nfs/dbraw/zinc/15/00/24/1038150024.db2.gz DESDDZIUUGHOSQ-GOSISDBHSA-N 1 2 326.371 3.958 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCO[C@@H](C)c2ccccc2)c[nH+]1 ZINC000454208473 1038204916 /nfs/dbraw/zinc/20/49/16/1038204916.db2.gz IPXKMFQQNOXSMR-KRWDZBQOSA-N 1 2 341.455 3.666 20 0 EHADLO Cc1cc2cc(CNc3ccc(N4CCOCC4)c[nH+]3)oc2cc1C ZINC000549401341 1038210311 /nfs/dbraw/zinc/21/03/11/1038210311.db2.gz AHMRBYFGUNIWMZ-UHFFFAOYSA-N 1 2 337.423 3.893 20 0 EHADLO Clc1cc(CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc2c1OCCCO2 ZINC000329227146 1038219124 /nfs/dbraw/zinc/21/91/24/1038219124.db2.gz AYFLSTFDACVZJT-OAHLLOKOSA-N 1 2 347.846 3.604 20 0 EHADLO Clc1cc(CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc2c1OCCCO2 ZINC000329227146 1038219140 /nfs/dbraw/zinc/21/91/40/1038219140.db2.gz AYFLSTFDACVZJT-OAHLLOKOSA-N 1 2 347.846 3.604 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000042632552 1038238432 /nfs/dbraw/zinc/23/84/32/1038238432.db2.gz SHCASPNEBMGKBS-UHFFFAOYSA-N 1 2 329.444 3.593 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000042895470 1038264954 /nfs/dbraw/zinc/26/49/54/1038264954.db2.gz CJIXHTWFNSOVSS-KRWDZBQOSA-N 1 2 346.450 3.889 20 0 EHADLO Cc1ccc(C)c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000043121508 1038290212 /nfs/dbraw/zinc/29/02/12/1038290212.db2.gz IBKODYMSSLJYIM-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000043281081 1038306382 /nfs/dbraw/zinc/30/63/82/1038306382.db2.gz CTHCEROQWDNQNP-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1ccc(C)c(CN(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000582021662 1038310200 /nfs/dbraw/zinc/31/02/00/1038310200.db2.gz UVJSYXJBXRGCOY-UHFFFAOYSA-N 1 2 349.438 3.607 20 0 EHADLO Cc1cn2cc(NC(=O)c3csc(Br)c3)ccc2[nH+]1 ZINC000339115766 1038332284 /nfs/dbraw/zinc/33/22/84/1038332284.db2.gz IOJHQOKRZPKSMQ-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO CCCC[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000538546019 1038373227 /nfs/dbraw/zinc/37/32/27/1038373227.db2.gz FGLSJEIVPPMQOX-FQEVSTJZSA-N 1 2 342.487 3.559 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000667105930 1038379003 /nfs/dbraw/zinc/37/90/03/1038379003.db2.gz GWOPYWGUGPHVNE-LAUBAEHRSA-N 1 2 345.446 3.962 20 0 EHADLO FC(F)(F)c1nc(CNc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000893200728 1038439634 /nfs/dbraw/zinc/43/96/34/1038439634.db2.gz UWOLJGZRXAOFKW-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO Brc1scnc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950488 1038493171 /nfs/dbraw/zinc/49/31/71/1038493171.db2.gz OLTBPGWSOPWGGO-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1scnc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950488 1038493173 /nfs/dbraw/zinc/49/31/73/1038493173.db2.gz OLTBPGWSOPWGGO-CYBMUJFWSA-N 1 2 337.286 3.970 20 0 EHADLO COc1cccc(SCC[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000659965353 1038533774 /nfs/dbraw/zinc/53/37/74/1038533774.db2.gz HUWGLVHITVIRNY-UHFFFAOYSA-N 1 2 333.457 3.538 20 0 EHADLO Cc1ccc(CC[N@@H+](CC(=O)c2cccn2C)Cc2ccco2)cc1 ZINC000461765566 1038607626 /nfs/dbraw/zinc/60/76/26/1038607626.db2.gz FOVBXLPKDCWPKB-UHFFFAOYSA-N 1 2 336.435 3.854 20 0 EHADLO Cc1ccc(CC[N@H+](CC(=O)c2cccn2C)Cc2ccco2)cc1 ZINC000461765566 1038607629 /nfs/dbraw/zinc/60/76/29/1038607629.db2.gz FOVBXLPKDCWPKB-UHFFFAOYSA-N 1 2 336.435 3.854 20 0 EHADLO CCc1cccc(Cc2cnc(NCc3c[nH+]cn3CC)s2)c1 ZINC000416427340 1038653556 /nfs/dbraw/zinc/65/35/56/1038653556.db2.gz PGJFBTQUBQUTGA-UHFFFAOYSA-N 1 2 326.469 3.547 20 0 EHADLO Cc1nn2c(C[NH2+][C@H](c3ccco3)c3ccccc3)c(C)nc2s1 ZINC000378523281 1038689791 /nfs/dbraw/zinc/68/97/91/1038689791.db2.gz UZUHYYYQRBYCNP-KRWDZBQOSA-N 1 2 338.436 3.880 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)s1 ZINC000539224879 1038738223 /nfs/dbraw/zinc/73/82/23/1038738223.db2.gz JSLASUJUJMDIQE-ZDUSSCGKSA-N 1 2 340.452 3.671 20 0 EHADLO O=C(CCCn1cnc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000613714294 1038752990 /nfs/dbraw/zinc/75/29/90/1038752990.db2.gz JPNKSWWAPYWPKC-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000539263378 1038756105 /nfs/dbraw/zinc/75/61/05/1038756105.db2.gz QDJUEQXBGPCMEB-SNVBAGLBSA-N 1 2 341.333 3.739 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]2CCOC2)cc1 ZINC000539296797 1038765065 /nfs/dbraw/zinc/76/50/65/1038765065.db2.gz DSEFBNCJNOILQR-AEFFLSMTSA-N 1 2 327.428 3.595 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC(C1CCC1)C1CCC1 ZINC000554001143 1038777828 /nfs/dbraw/zinc/77/78/28/1038777828.db2.gz JWNJAMDRDPXPRM-UHFFFAOYSA-N 1 2 346.519 3.836 20 0 EHADLO C[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCO1 ZINC000905313002 1038791027 /nfs/dbraw/zinc/79/10/27/1038791027.db2.gz KHPFVOBEWUDDGZ-RDTXWAMCSA-N 1 2 340.423 3.607 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000667564779 1038796274 /nfs/dbraw/zinc/79/62/74/1038796274.db2.gz ZUKUMYSMYGDNGW-SFHVURJKSA-N 1 2 343.446 3.618 20 0 EHADLO Cn1ncc(C2CC2)c1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000667564779 1038796292 /nfs/dbraw/zinc/79/62/92/1038796292.db2.gz ZUKUMYSMYGDNGW-SFHVURJKSA-N 1 2 343.446 3.618 20 0 EHADLO COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000905325489 1038802236 /nfs/dbraw/zinc/80/22/36/1038802236.db2.gz QSRACRIRSTYNEY-ZDUSSCGKSA-N 1 2 328.412 3.515 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000667567146 1038822364 /nfs/dbraw/zinc/82/23/64/1038822364.db2.gz QVUGZJFKVXGGHB-UHFFFAOYSA-N 1 2 345.409 3.753 20 0 EHADLO CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000462195010 1038849733 /nfs/dbraw/zinc/84/97/33/1038849733.db2.gz YJFDBDDHFVCZON-ZBFHGGJFSA-N 1 2 337.533 3.961 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@](C)(C(F)F)O1 ZINC000668823282 1038853484 /nfs/dbraw/zinc/85/34/84/1038853484.db2.gz IBSRIDWAFLYHSS-ZBEGNZNMSA-N 1 2 335.341 3.575 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@](C)(C(F)F)O1 ZINC000668823282 1038853507 /nfs/dbraw/zinc/85/35/07/1038853507.db2.gz IBSRIDWAFLYHSS-ZBEGNZNMSA-N 1 2 335.341 3.575 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000924730380 1038871985 /nfs/dbraw/zinc/87/19/85/1038871985.db2.gz RDYLQUDNHADAER-XJKSGUPXSA-N 1 2 347.484 3.887 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000924730378 1038872020 /nfs/dbraw/zinc/87/20/20/1038872020.db2.gz RDYLQUDNHADAER-CJNGLKHVSA-N 1 2 347.484 3.887 20 0 EHADLO Cn1c2cc(Cl)c(Cl)cc2[nH+]c1NCc1cnn(CCF)c1 ZINC000905414409 1038872744 /nfs/dbraw/zinc/87/27/44/1038872744.db2.gz LXYPUEOTKGMEKZ-UHFFFAOYSA-N 1 2 342.205 3.658 20 0 EHADLO FC1(F)CCC(c2nnc(NCc3cccc4[nH+]ccn43)o2)CC1 ZINC000905427639 1038893255 /nfs/dbraw/zinc/89/32/55/1038893255.db2.gz YWROBCFTAOQPJO-UHFFFAOYSA-N 1 2 333.342 3.622 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000509744366 1038984659 /nfs/dbraw/zinc/98/46/59/1038984659.db2.gz HMLDADUSNNYNPO-ULQDDVLXSA-N 1 2 347.503 3.518 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898408059 1038996347 /nfs/dbraw/zinc/99/63/47/1038996347.db2.gz AYRHNOFZOHHCFU-LJQANCHMSA-N 1 2 344.418 3.635 20 0 EHADLO CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(C)cc1 ZINC000195501618 1038998266 /nfs/dbraw/zinc/99/82/66/1038998266.db2.gz NYFYLXQGVNSBBA-UHFFFAOYSA-N 1 2 325.441 3.543 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432748385 1039038669 /nfs/dbraw/zinc/03/86/69/1039038669.db2.gz CMKRGWVCMXKMBC-MRXNPFEDSA-N 1 2 328.412 3.527 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432748385 1039038687 /nfs/dbraw/zinc/03/86/87/1039038687.db2.gz CMKRGWVCMXKMBC-MRXNPFEDSA-N 1 2 328.412 3.527 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc3ccc(F)cc3[nH]1)C2 ZINC000488301188 1039066370 /nfs/dbraw/zinc/06/63/70/1039066370.db2.gz QJECEGXDPKJLJL-UHFFFAOYSA-N 1 2 326.419 3.722 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccs1 ZINC000552229818 1039087421 /nfs/dbraw/zinc/08/74/21/1039087421.db2.gz XSMKGYDDSAAYFG-RBSFLKMASA-N 1 2 329.469 3.786 20 0 EHADLO CCOc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1O ZINC000668844201 1039103456 /nfs/dbraw/zinc/10/34/56/1039103456.db2.gz BWUYSVWNCIRZOM-UHFFFAOYSA-N 1 2 349.862 3.752 20 0 EHADLO CCOc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1O ZINC000668844201 1039103465 /nfs/dbraw/zinc/10/34/65/1039103465.db2.gz BWUYSVWNCIRZOM-UHFFFAOYSA-N 1 2 349.862 3.752 20 0 EHADLO C[C@@H](NC(=S)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000044057130 1039116855 /nfs/dbraw/zinc/11/68/55/1039116855.db2.gz RHXXNHHZZDRBLQ-OAHLLOKOSA-N 1 2 345.537 3.501 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)[NH+]1CCSCC1 ZINC000728913202 1039138277 /nfs/dbraw/zinc/13/82/77/1039138277.db2.gz KFRNRADEFCIFLY-HNNXBMFYSA-N 1 2 326.465 3.729 20 0 EHADLO FC(F)(F)c1ccc(C2(Nc3cc4cc[nH]c4c[nH+]3)COC2)cc1 ZINC001168374537 1039145575 /nfs/dbraw/zinc/14/55/75/1039145575.db2.gz RSXFOMCDQDFPLO-UHFFFAOYSA-N 1 2 333.313 3.919 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000432784177 1039166471 /nfs/dbraw/zinc/16/64/71/1039166471.db2.gz NIIPEPKLOOXFKE-ZDUSSCGKSA-N 1 2 346.475 3.750 20 0 EHADLO Clc1ccc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000554331193 1039226756 /nfs/dbraw/zinc/22/67/56/1039226756.db2.gz KJUCFWDEPMBZIL-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO Clc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000554331193 1039226765 /nfs/dbraw/zinc/22/67/65/1039226765.db2.gz KJUCFWDEPMBZIL-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO CCCCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000488560057 1039275929 /nfs/dbraw/zinc/27/59/29/1039275929.db2.gz CEUMGBQZBNKAMJ-FUHWJXTLSA-N 1 2 340.471 3.771 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668865076 1039319089 /nfs/dbraw/zinc/31/90/89/1039319089.db2.gz QSFYYYPRUQDPRL-ZWKOTPCHSA-N 1 2 325.456 3.969 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000152045421 1039362208 /nfs/dbraw/zinc/36/22/08/1039362208.db2.gz LFMSYUMBQBGGJL-SGTLLEGYSA-N 1 2 342.370 3.607 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCCO1 ZINC000667648857 1039363803 /nfs/dbraw/zinc/36/38/03/1039363803.db2.gz BTNZRGAGEAUJIQ-MLGOLLRUSA-N 1 2 333.819 3.669 20 0 EHADLO C[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1ccccc1 ZINC000554465976 1039364586 /nfs/dbraw/zinc/36/45/86/1039364586.db2.gz MGEHCLDTLASYCU-DNVCBOLYSA-N 1 2 347.422 3.551 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[C@H](CC)CC1 ZINC000458822578 1039369314 /nfs/dbraw/zinc/36/93/14/1039369314.db2.gz VFQXZMWHJDOILZ-QAQDUYKDSA-N 1 2 334.508 3.836 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000554482968 1039380371 /nfs/dbraw/zinc/38/03/71/1039380371.db2.gz OIFPPEZPPHHICF-UHFFFAOYSA-N 1 2 348.431 3.878 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000028694900 1039389278 /nfs/dbraw/zinc/38/92/78/1039389278.db2.gz FGOFWDPWHYFEKF-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000545479051 1039393179 /nfs/dbraw/zinc/39/31/79/1039393179.db2.gz OYMXGOXNVQBHCB-UHFFFAOYSA-N 1 2 334.510 3.721 20 0 EHADLO CC(C)c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000545479051 1039393193 /nfs/dbraw/zinc/39/31/93/1039393193.db2.gz OYMXGOXNVQBHCB-UHFFFAOYSA-N 1 2 334.510 3.721 20 0 EHADLO C[C@](CO)([NH2+]Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000237638966 1039403114 /nfs/dbraw/zinc/40/31/14/1039403114.db2.gz PHZOFXFHXWFVNR-QGZVFWFLSA-N 1 2 330.478 3.869 20 0 EHADLO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000554513095 1039420364 /nfs/dbraw/zinc/42/03/64/1039420364.db2.gz CNYNYUGWWDLYTJ-IEBWSBKVSA-N 1 2 340.471 3.846 20 0 EHADLO Cc1cc(C)c(C(=O)NCCCCOCCc2ccccc2)c(C)[nH+]1 ZINC000906318053 1039455991 /nfs/dbraw/zinc/45/59/91/1039455991.db2.gz HEBHWIVDTPPENZ-UHFFFAOYSA-N 1 2 340.467 3.776 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485724300 1039466839 /nfs/dbraw/zinc/46/68/39/1039466839.db2.gz RCCZQAGQLYLYCU-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485724300 1039466848 /nfs/dbraw/zinc/46/68/48/1039466848.db2.gz RCCZQAGQLYLYCU-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO C[C@H](CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)n1cc[nH+]c1 ZINC000570283576 1039490497 /nfs/dbraw/zinc/49/04/97/1039490497.db2.gz XNGFGRRGBQHLEP-CYBMUJFWSA-N 1 2 339.443 3.657 20 0 EHADLO O=C1CC[C@H]2C[N@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@@H]2N1 ZINC000668543612 1039497801 /nfs/dbraw/zinc/49/78/01/1039497801.db2.gz WOKSSZUTBOQPGN-ZANVPECISA-N 1 2 347.673 3.747 20 0 EHADLO O=C1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc(Cl)c3Cl)CC[C@@H]2N1 ZINC000668543612 1039497813 /nfs/dbraw/zinc/49/78/13/1039497813.db2.gz WOKSSZUTBOQPGN-ZANVPECISA-N 1 2 347.673 3.747 20 0 EHADLO CCC(CC)n1nccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000431928091 1039506033 /nfs/dbraw/zinc/50/60/33/1039506033.db2.gz SQKKNSXYLQKHDV-UHFFFAOYSA-N 1 2 344.459 3.537 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249876 1039529348 /nfs/dbraw/zinc/52/93/48/1039529348.db2.gz RYIFEBPFWZAZML-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932249876 1039529357 /nfs/dbraw/zinc/52/93/57/1039529357.db2.gz RYIFEBPFWZAZML-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000667672770 1039538449 /nfs/dbraw/zinc/53/84/49/1039538449.db2.gz FWUCBTSWNHDITB-AWEZNQCLSA-N 1 2 338.377 3.515 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000667672770 1039538460 /nfs/dbraw/zinc/53/84/60/1039538460.db2.gz FWUCBTSWNHDITB-AWEZNQCLSA-N 1 2 338.377 3.515 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000417222421 1039569165 /nfs/dbraw/zinc/56/91/65/1039569165.db2.gz KDRRQKBSTWBRGB-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO Brc1cnc([C@@H]2CCC[N@@H+]2CCc2cccs2)nc1 ZINC000932255286 1039574008 /nfs/dbraw/zinc/57/40/08/1039574008.db2.gz CPXXMPXKQPMYJZ-ZDUSSCGKSA-N 1 2 338.274 3.680 20 0 EHADLO Brc1cnc([C@@H]2CCC[N@H+]2CCc2cccs2)nc1 ZINC000932255286 1039574025 /nfs/dbraw/zinc/57/40/25/1039574025.db2.gz CPXXMPXKQPMYJZ-ZDUSSCGKSA-N 1 2 338.274 3.680 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000489048003 1039588498 /nfs/dbraw/zinc/58/84/98/1039588498.db2.gz DXHWMXCSYXZGCD-WBVHZDCISA-N 1 2 333.435 3.940 20 0 EHADLO CC1(C)C[C@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C(C)(C)O1 ZINC000893730438 1039649808 /nfs/dbraw/zinc/64/98/08/1039649808.db2.gz FVIULXYCZATAJD-QGZVFWFLSA-N 1 2 342.439 3.682 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000480535022 1039656507 /nfs/dbraw/zinc/65/65/07/1039656507.db2.gz GLVCSDGRSALKSM-TVQRCGJNSA-N 1 2 325.733 3.929 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000480535022 1039656511 /nfs/dbraw/zinc/65/65/11/1039656511.db2.gz GLVCSDGRSALKSM-TVQRCGJNSA-N 1 2 325.733 3.929 20 0 EHADLO O=C(C[NH+]1CCC(c2c(F)cccc2F)CC1)NC1CCCCC1 ZINC000485877739 1039656641 /nfs/dbraw/zinc/65/66/41/1039656641.db2.gz AMKMXQINHBAJGP-UHFFFAOYSA-N 1 2 336.426 3.593 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3c(Cl)cccc23)[C@@H]1n1cccn1 ZINC000549684941 1039673062 /nfs/dbraw/zinc/67/30/62/1039673062.db2.gz YJJRDNGNDJKHFU-JZXOWHBKSA-N 1 2 342.830 3.915 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3c(Cl)cccc23)[C@H]1n1cccn1 ZINC000549684942 1039673205 /nfs/dbraw/zinc/67/32/05/1039673205.db2.gz YJJRDNGNDJKHFU-LZLYRXPVSA-N 1 2 342.830 3.915 20 0 EHADLO Cc1ccc(C)c(OCCCCC(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898901496 1039679976 /nfs/dbraw/zinc/67/99/76/1039679976.db2.gz IUGUYZSDSRMDKX-UHFFFAOYSA-N 1 2 343.471 3.601 20 0 EHADLO CC(C)(CNC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)n1cc[nH+]c1 ZINC000898909029 1039697661 /nfs/dbraw/zinc/69/76/61/1039697661.db2.gz GUBZYUDQXHTNEG-HIFRSBDPSA-N 1 2 349.837 3.721 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097495 1039733534 /nfs/dbraw/zinc/73/35/34/1039733534.db2.gz BHUBQVKFROOPOE-MAUKXSAKSA-N 1 2 334.423 3.639 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097495 1039733559 /nfs/dbraw/zinc/73/35/59/1039733559.db2.gz BHUBQVKFROOPOE-MAUKXSAKSA-N 1 2 334.423 3.639 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cc(Br)c(Cl)s2)s1 ZINC000381403291 1039742831 /nfs/dbraw/zinc/74/28/31/1039742831.db2.gz RQLYQAJDCATBPD-UHFFFAOYSA-N 1 2 338.683 3.614 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667412570 1039786017 /nfs/dbraw/zinc/78/60/17/1039786017.db2.gz MOEDZTILUNHZEA-WFASDCNBSA-N 1 2 348.447 3.859 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000554849120 1039831177 /nfs/dbraw/zinc/83/11/77/1039831177.db2.gz UWJAWUAYDNPZLV-RHSMWYFYSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000554849120 1039831204 /nfs/dbraw/zinc/83/12/04/1039831204.db2.gz UWJAWUAYDNPZLV-RHSMWYFYSA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)c(F)c1 ZINC000584785651 1039842804 /nfs/dbraw/zinc/84/28/04/1039842804.db2.gz VTDJSRFIYUFYGT-UHFFFAOYSA-N 1 2 341.224 3.567 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)c(F)c1 ZINC000584785651 1039842830 /nfs/dbraw/zinc/84/28/30/1039842830.db2.gz VTDJSRFIYUFYGT-UHFFFAOYSA-N 1 2 341.224 3.567 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000554866870 1039855698 /nfs/dbraw/zinc/85/56/98/1039855698.db2.gz MQJAZJCBBVJXIH-YQCJOKCJSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000554866870 1039855725 /nfs/dbraw/zinc/85/57/25/1039855725.db2.gz MQJAZJCBBVJXIH-YQCJOKCJSA-N 1 2 336.361 3.777 20 0 EHADLO [NH3+][C@@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(F)F ZINC000912395754 1039869100 /nfs/dbraw/zinc/86/91/00/1039869100.db2.gz SSKMXBRDBWBDMY-RYUDHWBXSA-N 1 2 337.197 3.639 20 0 EHADLO CCSc1ccccc1CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000906988920 1039870877 /nfs/dbraw/zinc/87/08/77/1039870877.db2.gz WPDRNZNGRPQHMA-WBVHZDCISA-N 1 2 343.496 3.647 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359495 1039898022 /nfs/dbraw/zinc/89/80/22/1039898022.db2.gz HWSITHGOQBDHNE-DZGCQCFKSA-N 1 2 330.501 3.505 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000489359495 1039898036 /nfs/dbraw/zinc/89/80/36/1039898036.db2.gz HWSITHGOQBDHNE-DZGCQCFKSA-N 1 2 330.501 3.505 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C2CC2)o1 ZINC000613735240 1039898076 /nfs/dbraw/zinc/89/80/76/1039898076.db2.gz HSWFVMOJPNNSOT-FQEVSTJZSA-N 1 2 338.451 3.746 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C2CC2)o1 ZINC000613735240 1039898098 /nfs/dbraw/zinc/89/80/98/1039898098.db2.gz HSWFVMOJPNNSOT-FQEVSTJZSA-N 1 2 338.451 3.746 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153276806 1039929344 /nfs/dbraw/zinc/92/93/44/1039929344.db2.gz WGXQMJVFZDZPMI-HXUWFJFHSA-N 1 2 347.418 3.598 20 0 EHADLO CCc1cccc(OCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000486157205 1039934374 /nfs/dbraw/zinc/93/43/74/1039934374.db2.gz MOGSIUTYLFTORD-UHFFFAOYSA-N 1 2 340.467 3.572 20 0 EHADLO Cc1cn2c(nc(C)c2CN(C)C(=O)c2c(C)cc(C)[nH+]c2C)s1 ZINC000907152771 1039948112 /nfs/dbraw/zinc/94/81/12/1039948112.db2.gz ODIHIWLOBUFRNU-UHFFFAOYSA-N 1 2 342.468 3.605 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc(F)c1F ZINC001143604867 1039958244 /nfs/dbraw/zinc/95/82/44/1039958244.db2.gz GFMYCJVVQLCVMS-JKSUJKDBSA-N 1 2 348.418 3.715 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc(F)c1F ZINC001143604867 1039958262 /nfs/dbraw/zinc/95/82/62/1039958262.db2.gz GFMYCJVVQLCVMS-JKSUJKDBSA-N 1 2 348.418 3.715 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccccc1OC(F)F ZINC000489426593 1039962044 /nfs/dbraw/zinc/96/20/44/1039962044.db2.gz CABWWKOZUFMVQK-UHFFFAOYSA-N 1 2 342.411 3.702 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1OC(F)F ZINC000489426593 1039962053 /nfs/dbraw/zinc/96/20/53/1039962053.db2.gz CABWWKOZUFMVQK-UHFFFAOYSA-N 1 2 342.411 3.702 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000667747707 1040009614 /nfs/dbraw/zinc/00/96/14/1040009614.db2.gz DAYPQCNPKQIMNC-ZIAGYGMSSA-N 1 2 339.414 3.521 20 0 EHADLO CC[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)Oc1ccccc1C ZINC000554985992 1040018225 /nfs/dbraw/zinc/01/82/25/1040018225.db2.gz PMKBSKSQSHEJSO-MRXNPFEDSA-N 1 2 338.411 3.622 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@](C)(OC)CC1 ZINC000480841406 1040076332 /nfs/dbraw/zinc/07/63/32/1040076332.db2.gz HYVYPGGXTCCFFE-FQEVSTJZSA-N 1 2 342.439 3.807 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc2sccc2[nH]1 ZINC000584846677 1040077583 /nfs/dbraw/zinc/07/75/83/1040077583.db2.gz QRTDXERMWPZACF-JOCQHMNTSA-N 1 2 340.452 3.778 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000584846743 1040078650 /nfs/dbraw/zinc/07/86/50/1040078650.db2.gz SSJHHVUXAYSKFU-INIZCTEOSA-N 1 2 349.438 3.860 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480848143 1040084564 /nfs/dbraw/zinc/08/45/64/1040084564.db2.gz WPYUSEUKLRXWKN-FQEVSTJZSA-N 1 2 344.430 3.801 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480848143 1040084584 /nfs/dbraw/zinc/08/45/84/1040084584.db2.gz WPYUSEUKLRXWKN-FQEVSTJZSA-N 1 2 344.430 3.801 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332733692 1040095044 /nfs/dbraw/zinc/09/50/44/1040095044.db2.gz YKHPGGGAWXOHNY-DJIMGWMZSA-N 1 2 330.476 3.658 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc3ccccc3s2)C1=O ZINC000245624778 1040155594 /nfs/dbraw/zinc/15/55/94/1040155594.db2.gz OPXBNUVEOQVIDP-UKRRQHHQSA-N 1 2 331.485 3.689 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc3ccccc3s2)C1=O ZINC000245624778 1040155605 /nfs/dbraw/zinc/15/56/05/1040155605.db2.gz OPXBNUVEOQVIDP-UKRRQHHQSA-N 1 2 331.485 3.689 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907812325 1040181193 /nfs/dbraw/zinc/18/11/93/1040181193.db2.gz XMLUNFPMDRJAAX-YYESSZKYSA-N 1 2 341.499 3.723 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907812325 1040181198 /nfs/dbraw/zinc/18/11/98/1040181198.db2.gz XMLUNFPMDRJAAX-YYESSZKYSA-N 1 2 341.499 3.723 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907815227 1040182454 /nfs/dbraw/zinc/18/24/54/1040182454.db2.gz JQMDUXOKJQVYAU-KBMXLJTQSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907815227 1040182460 /nfs/dbraw/zinc/18/24/60/1040182460.db2.gz JQMDUXOKJQVYAU-KBMXLJTQSA-N 1 2 329.488 3.867 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)oc1C ZINC000432924984 1040190554 /nfs/dbraw/zinc/19/05/54/1040190554.db2.gz PORJYEDFYVKXIN-CKFHNAJUSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)oc1C ZINC000432924984 1040190561 /nfs/dbraw/zinc/19/05/61/1040190561.db2.gz PORJYEDFYVKXIN-CKFHNAJUSA-N 1 2 343.423 3.898 20 0 EHADLO Cc1cnc2c(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cccc2c1Cl ZINC000912751222 1040221796 /nfs/dbraw/zinc/22/17/96/1040221796.db2.gz ACNJUAGZUQZXCJ-LBPRGKRZSA-N 1 2 340.814 3.594 20 0 EHADLO CCCN(CC(C)C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000480956963 1040225228 /nfs/dbraw/zinc/22/52/28/1040225228.db2.gz JAUDRWHSILSXIC-UHFFFAOYSA-N 1 2 328.460 3.509 20 0 EHADLO CCC[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000669019358 1040258129 /nfs/dbraw/zinc/25/81/29/1040258129.db2.gz UENIBLNVJCQJAF-YOEHRIQHSA-N 1 2 333.863 3.873 20 0 EHADLO O=C([C@@H]1CCCC(F)(F)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000500005533 1040297192 /nfs/dbraw/zinc/29/71/92/1040297192.db2.gz DTASVDHXXJWYJX-GNJLHFKMSA-N 1 2 348.437 3.670 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000490050187 1040325394 /nfs/dbraw/zinc/32/53/94/1040325394.db2.gz ZZSFFLLMQYCAPQ-MRXNPFEDSA-N 1 2 340.895 3.512 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000490050187 1040325376 /nfs/dbraw/zinc/32/53/76/1040325376.db2.gz ZZSFFLLMQYCAPQ-MRXNPFEDSA-N 1 2 340.895 3.512 20 0 EHADLO COc1ccc(C(F)(F)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000162528310 1040335211 /nfs/dbraw/zinc/33/52/11/1040335211.db2.gz CMEXZNJMRYQFDW-UHFFFAOYSA-N 1 2 343.333 3.611 20 0 EHADLO CC(C)=CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000479555117 1040375023 /nfs/dbraw/zinc/37/50/23/1040375023.db2.gz NDCKNLNGORYOQK-AWEZNQCLSA-N 1 2 336.505 3.853 20 0 EHADLO CC(C)=CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000479555117 1040375037 /nfs/dbraw/zinc/37/50/37/1040375037.db2.gz NDCKNLNGORYOQK-AWEZNQCLSA-N 1 2 336.505 3.853 20 0 EHADLO CCOC(=O)/C(=C/c1ccc(N)[nH+]c1)c1nc(C(C)C)c(C)s1 ZINC000899364002 1040377736 /nfs/dbraw/zinc/37/77/36/1040377736.db2.gz JJWCMMGJOIYRSF-MDWZMJQESA-N 1 2 331.441 3.656 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000668672763 1040391835 /nfs/dbraw/zinc/39/18/35/1040391835.db2.gz BKEHEBZEDWNJJA-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000668672763 1040391849 /nfs/dbraw/zinc/39/18/49/1040391849.db2.gz BKEHEBZEDWNJJA-SFHVURJKSA-N 1 2 331.387 3.781 20 0 EHADLO CCC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000411124808 1040459741 /nfs/dbraw/zinc/45/97/41/1040459741.db2.gz XFROERQGFNCBMF-HXUWFJFHSA-N 1 2 344.499 3.608 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@](=O)C1 ZINC000433019690 1040467622 /nfs/dbraw/zinc/46/76/22/1040467622.db2.gz KWWPPZQBXXUUOO-XDHUDOTRSA-N 1 2 349.540 3.846 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@](=O)C1 ZINC000433019690 1040467630 /nfs/dbraw/zinc/46/76/30/1040467630.db2.gz KWWPPZQBXXUUOO-XDHUDOTRSA-N 1 2 349.540 3.846 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000433024866 1040487325 /nfs/dbraw/zinc/48/73/25/1040487325.db2.gz ZLRYHAZYTFPNBU-JCQPUDPBSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000433024866 1040487333 /nfs/dbraw/zinc/48/73/33/1040487333.db2.gz ZLRYHAZYTFPNBU-JCQPUDPBSA-N 1 2 335.444 3.595 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152181286 1040526073 /nfs/dbraw/zinc/52/60/73/1040526073.db2.gz BMKWVDWIKJVODL-GDBMZVCRSA-N 1 2 343.496 3.823 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@]1=O ZINC000433056300 1040577035 /nfs/dbraw/zinc/57/70/35/1040577035.db2.gz HMXCDVTUTZLZIO-XDHUDOTRSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@]1=O ZINC000433056300 1040577052 /nfs/dbraw/zinc/57/70/52/1040577052.db2.gz HMXCDVTUTZLZIO-XDHUDOTRSA-N 1 2 349.540 3.989 20 0 EHADLO CCc1nc(C[N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)cs1 ZINC000667558689 1040633978 /nfs/dbraw/zinc/63/39/78/1040633978.db2.gz OMKGPKYVWGKNED-AWEZNQCLSA-N 1 2 334.485 3.751 20 0 EHADLO CCc1nc(C[N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)cs1 ZINC000667558689 1040633989 /nfs/dbraw/zinc/63/39/89/1040633989.db2.gz OMKGPKYVWGKNED-AWEZNQCLSA-N 1 2 334.485 3.751 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000350017216 1040642813 /nfs/dbraw/zinc/64/28/13/1040642813.db2.gz CMKYJIIYEKXEIS-UHFFFAOYSA-N 1 2 346.843 3.682 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000350017216 1040642820 /nfs/dbraw/zinc/64/28/20/1040642820.db2.gz CMKYJIIYEKXEIS-UHFFFAOYSA-N 1 2 346.843 3.682 20 0 EHADLO CCCN(CC(C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000481317727 1040665216 /nfs/dbraw/zinc/66/52/16/1040665216.db2.gz MODCOTCFYRPLLP-UHFFFAOYSA-N 1 2 332.492 3.650 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cc(-c3ccccc3Cl)on2)cnn1C ZINC000419235480 1040672894 /nfs/dbraw/zinc/67/28/94/1040672894.db2.gz DBRSUVASZMANRT-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO CCCN(CC(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000481325390 1040686586 /nfs/dbraw/zinc/68/65/86/1040686586.db2.gz ZHZWWKYJPNBZSX-UHFFFAOYSA-N 1 2 342.487 3.552 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC000151278038 1040726272 /nfs/dbraw/zinc/72/62/72/1040726272.db2.gz WQYSZEPJPUFCOH-INIZCTEOSA-N 1 2 339.411 3.637 20 0 EHADLO FC(F)n1c2ccccc2n(C[N@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC000151278038 1040726289 /nfs/dbraw/zinc/72/62/89/1040726289.db2.gz WQYSZEPJPUFCOH-INIZCTEOSA-N 1 2 339.411 3.637 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CO2)c1 ZINC000759793094 1040728947 /nfs/dbraw/zinc/72/89/47/1040728947.db2.gz LJVZCCAXAPIQMM-WMZOPIPTSA-N 1 2 348.487 3.590 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CO2)c1 ZINC000759793094 1040728950 /nfs/dbraw/zinc/72/89/50/1040728950.db2.gz LJVZCCAXAPIQMM-WMZOPIPTSA-N 1 2 348.487 3.590 20 0 EHADLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000364303755 1040738224 /nfs/dbraw/zinc/73/82/24/1040738224.db2.gz OKKBJRYBXFZZLZ-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000487237579 1040840459 /nfs/dbraw/zinc/84/04/59/1040840459.db2.gz UDHCVILTWRMXGP-RLLQIKCJSA-N 1 2 349.478 3.826 20 0 EHADLO CCC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000651491971 1040846608 /nfs/dbraw/zinc/84/66/08/1040846608.db2.gz ZBHWTXYQSBCSPY-QGZVFWFLSA-N 1 2 347.409 3.698 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)c1ccco1 ZINC000411512000 1040935465 /nfs/dbraw/zinc/93/54/65/1040935465.db2.gz KUBQPFXTSVVPGG-FUHWJXTLSA-N 1 2 344.455 3.634 20 0 EHADLO COc1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)[nH+]c1C ZINC001168377200 1040940660 /nfs/dbraw/zinc/94/06/60/1040940660.db2.gz CYVLCSJOJYKATG-UHFFFAOYSA-N 1 2 338.329 3.755 20 0 EHADLO CC1CCC(Oc2cc(C[NH2+]Cc3nccn3C3CC3)ccn2)CC1 ZINC000893349730 1040951098 /nfs/dbraw/zinc/95/10/98/1040951098.db2.gz AYPPVSKRMLVCHQ-UHFFFAOYSA-N 1 2 340.471 3.860 20 0 EHADLO Cc1cc(OC(C)C)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001211809292 1040975986 /nfs/dbraw/zinc/97/59/86/1040975986.db2.gz FBVVVMJBTRGTFM-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC3(c4ccccc4)CCCC3)[nH+]c12 ZINC000586740189 1040984864 /nfs/dbraw/zinc/98/48/64/1040984864.db2.gz HBGZYPVCWHDPNX-UHFFFAOYSA-N 1 2 347.462 3.813 20 0 EHADLO CC(C)OC[C@H](OC(=O)CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000760643138 1041032774 /nfs/dbraw/zinc/03/27/74/1041032774.db2.gz HNCOQUAQSKZFDD-KRWDZBQOSA-N 1 2 334.391 3.512 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S ZINC000047252633 1041033008 /nfs/dbraw/zinc/03/30/08/1041033008.db2.gz ARWUXFLJBWICQZ-UHFFFAOYSA-N 1 2 340.452 3.963 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S ZINC000047252633 1041033021 /nfs/dbraw/zinc/03/30/21/1041033021.db2.gz ARWUXFLJBWICQZ-UHFFFAOYSA-N 1 2 340.452 3.963 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000433234207 1041122379 /nfs/dbraw/zinc/12/23/79/1041122379.db2.gz JNECEBWYTDAIHD-LBPRGKRZSA-N 1 2 338.854 3.700 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000433234207 1041122384 /nfs/dbraw/zinc/12/23/84/1041122384.db2.gz JNECEBWYTDAIHD-LBPRGKRZSA-N 1 2 338.854 3.700 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000570964873 1041127437 /nfs/dbraw/zinc/12/74/37/1041127437.db2.gz DJIXOSOFCPXSRN-AWEZNQCLSA-N 1 2 343.414 3.982 20 0 EHADLO COc1cccc(OC)c1OCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000570964873 1041127448 /nfs/dbraw/zinc/12/74/48/1041127448.db2.gz DJIXOSOFCPXSRN-AWEZNQCLSA-N 1 2 343.414 3.982 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396541 1041129592 /nfs/dbraw/zinc/12/95/92/1041129592.db2.gz GTFYXGSVHUXEEF-CRAIPNDOSA-N 1 2 325.456 3.658 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000419295537 1041136379 /nfs/dbraw/zinc/13/63/79/1041136379.db2.gz CRTDMWMJMGCKDI-AWEZNQCLSA-N 1 2 335.423 3.901 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000419295537 1041136387 /nfs/dbraw/zinc/13/63/87/1041136387.db2.gz CRTDMWMJMGCKDI-AWEZNQCLSA-N 1 2 335.423 3.901 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1cccnc1 ZINC000156393902 1041175197 /nfs/dbraw/zinc/17/51/97/1041175197.db2.gz FXMKQUQASFLFLW-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1cccnc1 ZINC000156393902 1041175206 /nfs/dbraw/zinc/17/52/06/1041175206.db2.gz FXMKQUQASFLFLW-OAHLLOKOSA-N 1 2 325.456 3.838 20 0 EHADLO c1ccc(-c2nnc(C[NH+]3CCC(OC4CCC4)CC3)s2)cc1 ZINC000419303998 1041187582 /nfs/dbraw/zinc/18/75/82/1041187582.db2.gz OTFAEGQXMSXNKS-UHFFFAOYSA-N 1 2 329.469 3.739 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000668811907 1041232704 /nfs/dbraw/zinc/23/27/04/1041232704.db2.gz FHYSBONQVSUWNB-INIZCTEOSA-N 1 2 345.512 3.829 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000571224296 1041239559 /nfs/dbraw/zinc/23/95/59/1041239559.db2.gz TWKTWXTVXQBTRO-INIZCTEOSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000571224296 1041239572 /nfs/dbraw/zinc/23/95/72/1041239572.db2.gz TWKTWXTVXQBTRO-INIZCTEOSA-N 1 2 325.456 3.650 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000899857554 1041239799 /nfs/dbraw/zinc/23/97/99/1041239799.db2.gz LUZUVXQBUHIVDD-GOSISDBHSA-N 1 2 333.435 3.884 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000571224297 1041239874 /nfs/dbraw/zinc/23/98/74/1041239874.db2.gz TWKTWXTVXQBTRO-MRXNPFEDSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000571224297 1041239892 /nfs/dbraw/zinc/23/98/92/1041239892.db2.gz TWKTWXTVXQBTRO-MRXNPFEDSA-N 1 2 325.456 3.650 20 0 EHADLO Cc1nc([C@](C)([NH2+]CCOc2ccc3ccccc3c2)C2CC2)no1 ZINC000433301123 1041241611 /nfs/dbraw/zinc/24/16/11/1041241611.db2.gz FUABLTYLCKBKLE-HXUWFJFHSA-N 1 2 337.423 3.825 20 0 EHADLO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000759869022 1041252853 /nfs/dbraw/zinc/25/28/53/1041252853.db2.gz QOLURTPXIOCXSD-RNCFNFMXSA-N 1 2 341.814 3.544 20 0 EHADLO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571405807 1041288103 /nfs/dbraw/zinc/28/81/03/1041288103.db2.gz CZZWLWHFQOZBFL-HNNXBMFYSA-N 1 2 343.496 3.525 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCC[C@H]3CC(=O)c3ccccc3)c2c1C ZINC000645207013 1041317863 /nfs/dbraw/zinc/31/78/63/1041317863.db2.gz BVODBBMVQBZIMH-INIZCTEOSA-N 1 2 334.423 3.817 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000500406974 1041371315 /nfs/dbraw/zinc/37/13/15/1041371315.db2.gz WGENHZGWTWZNNJ-KRWDZBQOSA-N 1 2 331.847 3.736 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000500406974 1041371327 /nfs/dbraw/zinc/37/13/27/1041371327.db2.gz WGENHZGWTWZNNJ-KRWDZBQOSA-N 1 2 331.847 3.736 20 0 EHADLO Fc1ccc2oc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nc2c1 ZINC000511704876 1041469016 /nfs/dbraw/zinc/46/90/16/1041469016.db2.gz CGHAHYALMBVSTP-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116952 1041612649 /nfs/dbraw/zinc/61/26/49/1041612649.db2.gz NVKGJKCWDCAZRD-HNNXBMFYSA-N 1 2 336.439 3.659 20 0 EHADLO Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116952 1041612651 /nfs/dbraw/zinc/61/26/51/1041612651.db2.gz NVKGJKCWDCAZRD-HNNXBMFYSA-N 1 2 336.439 3.659 20 0 EHADLO Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000432116952 1041612659 /nfs/dbraw/zinc/61/26/59/1041612659.db2.gz NVKGJKCWDCAZRD-HNNXBMFYSA-N 1 2 336.439 3.659 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590871096 1041656950 /nfs/dbraw/zinc/65/69/50/1041656950.db2.gz NEDXWDAJPNEXDI-RBUKOAKNSA-N 1 2 340.471 3.641 20 0 EHADLO CC(C)(C)c1csc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)n1 ZINC000660640546 1041745625 /nfs/dbraw/zinc/74/56/25/1041745625.db2.gz UKEDEQGCQXFSEZ-INIZCTEOSA-N 1 2 333.501 3.685 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2nsc3ccccc32)C[C@@H]1c1ccccc1 ZINC000660670659 1041764629 /nfs/dbraw/zinc/76/46/29/1041764629.db2.gz IMJMRUPQIAGGIZ-VQIMIIECSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2nsc3ccccc32)C[C@@H]1c1ccccc1 ZINC000660670659 1041764636 /nfs/dbraw/zinc/76/46/36/1041764636.db2.gz IMJMRUPQIAGGIZ-VQIMIIECSA-N 1 2 342.439 3.596 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1Cl ZINC000642342950 1041775450 /nfs/dbraw/zinc/77/54/50/1041775450.db2.gz WRIZVJKTZUPWMF-UHFFFAOYSA-N 1 2 348.849 3.960 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1Cl ZINC000642342950 1041775461 /nfs/dbraw/zinc/77/54/61/1041775461.db2.gz WRIZVJKTZUPWMF-UHFFFAOYSA-N 1 2 348.849 3.960 20 0 EHADLO Cc1cncc(CC[N@@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708246 1041786304 /nfs/dbraw/zinc/78/63/04/1041786304.db2.gz OFGIIVWTVAKNNV-LBPRGKRZSA-N 1 2 329.835 3.550 20 0 EHADLO Cc1cncc(CC[N@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000660708246 1041786307 /nfs/dbraw/zinc/78/63/07/1041786307.db2.gz OFGIIVWTVAKNNV-LBPRGKRZSA-N 1 2 329.835 3.550 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000660933225 1041877560 /nfs/dbraw/zinc/87/75/60/1041877560.db2.gz LNWQPYZMBCDGME-RDJZCZTQSA-N 1 2 327.428 3.640 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000660933225 1041877566 /nfs/dbraw/zinc/87/75/66/1041877566.db2.gz LNWQPYZMBCDGME-RDJZCZTQSA-N 1 2 327.428 3.640 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1 ZINC000661167994 1041983114 /nfs/dbraw/zinc/98/31/14/1041983114.db2.gz QZBCLOQHDLLEEM-KUHUBIRLSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1 ZINC000661167994 1041983121 /nfs/dbraw/zinc/98/31/21/1041983121.db2.gz QZBCLOQHDLLEEM-KUHUBIRLSA-N 1 2 327.428 3.607 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc2ccccc2c1)c1cscn1 ZINC000661424021 1042114994 /nfs/dbraw/zinc/11/49/94/1042114994.db2.gz JZRALIXHLFWRNQ-ZIAGYGMSSA-N 1 2 339.464 3.824 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cscn2)cc1 ZINC000661426495 1042116001 /nfs/dbraw/zinc/11/60/01/1042116001.db2.gz XCIQSKBFBAKPKB-HUUCEWRRSA-N 1 2 345.512 3.870 20 0 EHADLO CCC(CC)n1ccc(C[NH2+][C@H](COC)c2cccc(OC)c2)n1 ZINC000661474142 1042141340 /nfs/dbraw/zinc/14/13/40/1042141340.db2.gz UXIOXXIAYBLRQM-LJQANCHMSA-N 1 2 331.460 3.730 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514003 1042160387 /nfs/dbraw/zinc/16/03/87/1042160387.db2.gz NTVAXQKUICGKIX-FOIQADDNSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514003 1042160390 /nfs/dbraw/zinc/16/03/90/1042160390.db2.gz NTVAXQKUICGKIX-FOIQADDNSA-N 1 2 338.426 3.546 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000661515175 1042161393 /nfs/dbraw/zinc/16/13/93/1042161393.db2.gz ZPVACALOAKUIGG-CKFHNAJUSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000661515175 1042161399 /nfs/dbraw/zinc/16/13/99/1042161399.db2.gz ZPVACALOAKUIGG-CKFHNAJUSA-N 1 2 344.405 3.978 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)n1 ZINC000661540772 1042176360 /nfs/dbraw/zinc/17/63/60/1042176360.db2.gz NETZOMGFGPIOFK-CQSZACIVSA-N 1 2 336.361 3.578 20 0 EHADLO Cc1cccc(CC[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)n1 ZINC000661540772 1042176367 /nfs/dbraw/zinc/17/63/67/1042176367.db2.gz NETZOMGFGPIOFK-CQSZACIVSA-N 1 2 336.361 3.578 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3cnc4ccccc4n3)CC23CCOCC3)c1 ZINC000661562722 1042191466 /nfs/dbraw/zinc/19/14/66/1042191466.db2.gz STXJBHYSDWFFAZ-LJQANCHMSA-N 1 2 335.407 3.577 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3cnc4ccccc4n3)CC23CCOCC3)c1 ZINC000661562722 1042191469 /nfs/dbraw/zinc/19/14/69/1042191469.db2.gz STXJBHYSDWFFAZ-LJQANCHMSA-N 1 2 335.407 3.577 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc2occc2c1 ZINC000661574999 1042196772 /nfs/dbraw/zinc/19/67/72/1042196772.db2.gz OOHSRLOHJQSDJY-UHFFFAOYSA-N 1 2 338.411 3.519 20 0 EHADLO COC(C)(C)CC[N@@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000661644635 1042234206 /nfs/dbraw/zinc/23/42/06/1042234206.db2.gz CYXQTWUQTYTJJT-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO COC(C)(C)CC[N@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000661644635 1042234212 /nfs/dbraw/zinc/23/42/12/1042234212.db2.gz CYXQTWUQTYTJJT-HNNXBMFYSA-N 1 2 342.277 3.638 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC1=CCCOC1 ZINC000661656132 1042236131 /nfs/dbraw/zinc/23/61/31/1042236131.db2.gz XIKRIOGBPNZMQP-ZDUSSCGKSA-N 1 2 347.846 3.653 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC1=CCCOC1 ZINC000661656132 1042236139 /nfs/dbraw/zinc/23/61/39/1042236139.db2.gz XIKRIOGBPNZMQP-ZDUSSCGKSA-N 1 2 347.846 3.653 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000047931446 1042267946 /nfs/dbraw/zinc/26/79/46/1042267946.db2.gz TZXCCYKACUPNKW-VIFPVBQESA-N 1 2 337.807 3.709 20 0 EHADLO Cc1cncc(CC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661736480 1042290955 /nfs/dbraw/zinc/29/09/55/1042290955.db2.gz NMPBHNPKQGFXLI-SFHVURJKSA-N 1 2 345.874 3.833 20 0 EHADLO Cc1cncc(CC[N@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)n1 ZINC000661736480 1042290962 /nfs/dbraw/zinc/29/09/62/1042290962.db2.gz NMPBHNPKQGFXLI-SFHVURJKSA-N 1 2 345.874 3.833 20 0 EHADLO Fc1cccc([C@H]2COCC[N@@H+]2CCc2noc3ccccc32)c1 ZINC000661737177 1042292174 /nfs/dbraw/zinc/29/21/74/1042292174.db2.gz SIUCJKSZJYWKRC-GOSISDBHSA-N 1 2 326.371 3.583 20 0 EHADLO Fc1cccc([C@H]2COCC[N@H+]2CCc2noc3ccccc32)c1 ZINC000661737177 1042292181 /nfs/dbraw/zinc/29/21/81/1042292181.db2.gz SIUCJKSZJYWKRC-GOSISDBHSA-N 1 2 326.371 3.583 20 0 EHADLO Cc1cc(Oc2ccccc2)ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000597349932 1042366931 /nfs/dbraw/zinc/36/69/31/1042366931.db2.gz ODXCOAWVOMAXRI-UHFFFAOYSA-N 1 2 336.395 3.806 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856182 1042369174 /nfs/dbraw/zinc/36/91/74/1042369174.db2.gz YAEYCBGWFFJCCP-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856182 1042369179 /nfs/dbraw/zinc/36/91/79/1042369179.db2.gz YAEYCBGWFFJCCP-WOPDTQHZSA-N 1 2 345.270 3.820 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC4(CCCC4)OC[C@@H]3C)o2)cc1 ZINC000661982059 1042443814 /nfs/dbraw/zinc/44/38/14/1042443814.db2.gz CRMOXVKZJNJLCK-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC4(CCCC4)OC[C@@H]3C)o2)cc1 ZINC000661982059 1042443816 /nfs/dbraw/zinc/44/38/16/1042443816.db2.gz CRMOXVKZJNJLCK-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998419 1042455982 /nfs/dbraw/zinc/45/59/82/1042455982.db2.gz WXBKSHXKYOPIDK-UHFFFAOYSA-N 1 2 343.467 3.679 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998419 1042455985 /nfs/dbraw/zinc/45/59/85/1042455985.db2.gz WXBKSHXKYOPIDK-UHFFFAOYSA-N 1 2 343.467 3.679 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc(Br)cs1 ZINC000372992333 1042462708 /nfs/dbraw/zinc/46/27/08/1042462708.db2.gz XMMOSZCVCCBPHV-UHFFFAOYSA-N 1 2 340.290 3.675 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2ccon2)CC1 ZINC000662046377 1042479299 /nfs/dbraw/zinc/47/92/99/1042479299.db2.gz CPFQMYOFXAUBSF-CQSZACIVSA-N 1 2 338.411 3.589 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065572 1042493581 /nfs/dbraw/zinc/49/35/81/1042493581.db2.gz RWQDZMNAJCUFRI-MAUKXSAKSA-N 1 2 335.407 3.951 20 0 EHADLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065572 1042493587 /nfs/dbraw/zinc/49/35/87/1042493587.db2.gz RWQDZMNAJCUFRI-MAUKXSAKSA-N 1 2 335.407 3.951 20 0 EHADLO C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000246625306 1042512145 /nfs/dbraw/zinc/51/21/45/1042512145.db2.gz UKWSJHCKPCMDKW-OWCLPIDISA-N 1 2 347.503 3.852 20 0 EHADLO C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000246625306 1042512148 /nfs/dbraw/zinc/51/21/48/1042512148.db2.gz UKWSJHCKPCMDKW-OWCLPIDISA-N 1 2 347.503 3.852 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000249325490 1042536912 /nfs/dbraw/zinc/53/69/12/1042536912.db2.gz MYPJGAJWFQYJRX-WBVHZDCISA-N 1 2 340.389 3.528 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000249325490 1042536914 /nfs/dbraw/zinc/53/69/14/1042536914.db2.gz MYPJGAJWFQYJRX-WBVHZDCISA-N 1 2 340.389 3.528 20 0 EHADLO OC1(CC[N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)CCC1 ZINC000663252736 1042597988 /nfs/dbraw/zinc/59/79/88/1042597988.db2.gz LASFQMIRAUHPFH-UHFFFAOYSA-N 1 2 349.272 3.594 20 0 EHADLO OC1(CC[N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)CCC1 ZINC000663252736 1042597991 /nfs/dbraw/zinc/59/79/91/1042597991.db2.gz LASFQMIRAUHPFH-UHFFFAOYSA-N 1 2 349.272 3.594 20 0 EHADLO CC1(C)C[N@H+](Cc2cnnn2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000644832928 1042636087 /nfs/dbraw/zinc/63/60/87/1042636087.db2.gz KYXUJIASSIKJHL-HXUWFJFHSA-N 1 2 332.451 3.910 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnnn2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000644832928 1042636090 /nfs/dbraw/zinc/63/60/90/1042636090.db2.gz KYXUJIASSIKJHL-HXUWFJFHSA-N 1 2 332.451 3.910 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(NC(=O)C2CC2)c1 ZINC000161785250 1042685515 /nfs/dbraw/zinc/68/55/15/1042685515.db2.gz YSEKVBYTMXOVPB-UHFFFAOYSA-N 1 2 346.390 3.678 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC3CC2(c2ccccc2)C3)on1 ZINC000662331743 1042686003 /nfs/dbraw/zinc/68/60/03/1042686003.db2.gz QGYJGBGODMHYTK-UHFFFAOYSA-N 1 2 339.439 3.532 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC3CC2(c2ccccc2)C3)on1 ZINC000662331743 1042686008 /nfs/dbraw/zinc/68/60/08/1042686008.db2.gz QGYJGBGODMHYTK-UHFFFAOYSA-N 1 2 339.439 3.532 20 0 EHADLO Cc1c(N[C@H](C)c2ccccn2)nc[nH+]c1N[C@@H](C)c1ccccn1 ZINC000663325403 1042692665 /nfs/dbraw/zinc/69/26/65/1042692665.db2.gz JENBSMUMULPRAS-GASCZTMLSA-N 1 2 334.427 3.921 20 0 EHADLO Cc1c(N[C@@H](C)c2ccccn2)nc[nH+]c1N[C@H](C)c1ccccn1 ZINC000663325403 1042692668 /nfs/dbraw/zinc/69/26/68/1042692668.db2.gz JENBSMUMULPRAS-GASCZTMLSA-N 1 2 334.427 3.921 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066946366 1042747616 /nfs/dbraw/zinc/74/76/16/1042747616.db2.gz OJCYRSNZWNUILI-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO O=C(c1cc(F)ccc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278892601 1042852751 /nfs/dbraw/zinc/85/27/51/1042852751.db2.gz FDUOIXRKHGTALL-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC(C)(C)C1 ZINC000303208813 1042917287 /nfs/dbraw/zinc/91/72/87/1042917287.db2.gz QOWHZCWKYSWVID-STQMWFEESA-N 1 2 335.517 3.922 20 0 EHADLO C[C@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC(C)(C)C1 ZINC000303208813 1042917292 /nfs/dbraw/zinc/91/72/92/1042917292.db2.gz QOWHZCWKYSWVID-STQMWFEESA-N 1 2 335.517 3.922 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408274529 1042921569 /nfs/dbraw/zinc/92/15/69/1042921569.db2.gz ZZBOUVKCIZQOAW-NOLJZWGESA-N 1 2 327.428 3.731 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759965758 1043037214 /nfs/dbraw/zinc/03/72/14/1043037214.db2.gz IBLBRUJSJCRWRB-LLVKDONJSA-N 1 2 339.336 3.521 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000348553726 1043130323 /nfs/dbraw/zinc/13/03/23/1043130323.db2.gz OSVDCPPXWFWSMI-INIZCTEOSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000348553726 1043130337 /nfs/dbraw/zinc/13/03/37/1043130337.db2.gz OSVDCPPXWFWSMI-INIZCTEOSA-N 1 2 325.456 3.972 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)[S@]1=O ZINC000348554474 1043194375 /nfs/dbraw/zinc/19/43/75/1043194375.db2.gz YHQXYSFIWVRJMJ-QHXAMGISSA-N 1 2 335.444 3.817 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)[S@]1=O ZINC000348554474 1043194385 /nfs/dbraw/zinc/19/43/85/1043194385.db2.gz YHQXYSFIWVRJMJ-QHXAMGISSA-N 1 2 335.444 3.817 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279055491 1043274377 /nfs/dbraw/zinc/27/43/77/1043274377.db2.gz ZLJDFCGUPXGSPY-UHFFFAOYSA-N 1 2 343.858 3.893 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000512118031 1043298931 /nfs/dbraw/zinc/29/89/31/1043298931.db2.gz FDAFEPWNKBDJOB-WMZOPIPTSA-N 1 2 344.503 3.697 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(NCCc2ccccc2)cc1 ZINC000344205042 1043434021 /nfs/dbraw/zinc/43/40/21/1043434021.db2.gz QIOYEVRBTFEVLY-UHFFFAOYSA-N 1 2 334.423 3.636 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000279179659 1043510295 /nfs/dbraw/zinc/51/02/95/1043510295.db2.gz LWDDOAFEYOWJEC-AAVRWANBSA-N 1 2 349.887 3.811 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000344257662 1043535553 /nfs/dbraw/zinc/53/55/53/1043535553.db2.gz COSYDIWNMYXBJC-MRXNPFEDSA-N 1 2 335.432 3.758 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+](C2CC2)C2CCCCC2)nc1N(C)C ZINC000728898507 1043596335 /nfs/dbraw/zinc/59/63/35/1043596335.db2.gz YGXJWXKTXDBTFH-UHFFFAOYSA-N 1 2 337.537 3.816 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+](C2CC2)C2CCCCC2)nc1N(C)C ZINC000728898507 1043596345 /nfs/dbraw/zinc/59/63/45/1043596345.db2.gz YGXJWXKTXDBTFH-UHFFFAOYSA-N 1 2 337.537 3.816 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000512172582 1043602388 /nfs/dbraw/zinc/60/23/88/1043602388.db2.gz ZTWKMWXLCHOOMW-LLVKDONJSA-N 1 2 338.776 3.919 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000512172583 1043602873 /nfs/dbraw/zinc/60/28/73/1043602873.db2.gz ZTWKMWXLCHOOMW-NSHDSACASA-N 1 2 338.776 3.919 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+](C)Cc3ccc(OC)cc3)n2)cc1 ZINC000007682645 1043749501 /nfs/dbraw/zinc/74/95/01/1043749501.db2.gz YYUWIMWFFJKWFP-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(OC)cc3)n2)cc1 ZINC000007682645 1043749512 /nfs/dbraw/zinc/74/95/12/1043749512.db2.gz YYUWIMWFFJKWFP-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000344370583 1043780591 /nfs/dbraw/zinc/78/05/91/1043780591.db2.gz IPBXMNDAYIFZTL-RHSMWYFYSA-N 1 2 339.501 3.581 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000344370583 1043780599 /nfs/dbraw/zinc/78/05/99/1043780599.db2.gz IPBXMNDAYIFZTL-RHSMWYFYSA-N 1 2 339.501 3.581 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn(-c2ccccc2)c1 ZINC000162796465 1043785374 /nfs/dbraw/zinc/78/53/74/1043785374.db2.gz VUOZCVWJWGZMNR-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2ccccc2)no1 ZINC000162816092 1043794870 /nfs/dbraw/zinc/79/48/70/1043794870.db2.gz PYMXEPFHYLMBND-UHFFFAOYSA-N 1 2 330.347 3.984 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ncc(Br)cc1F ZINC000187134399 1043853308 /nfs/dbraw/zinc/85/33/08/1043853308.db2.gz IFCPZADLARWZSJ-SECBINFHSA-N 1 2 325.181 3.540 20 0 EHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)o1 ZINC000279394145 1044025469 /nfs/dbraw/zinc/02/54/69/1044025469.db2.gz CIVNBYUDTOCMPS-OLZOCXBDSA-N 1 2 325.416 3.742 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(F)cc3F)n2)c1 ZINC000279525869 1044187516 /nfs/dbraw/zinc/18/75/16/1044187516.db2.gz OTTBBQFEEJVRFQ-RYUDHWBXSA-N 1 2 343.381 3.865 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccc(Br)cn1 ZINC000793331546 1134906618 /nfs/dbraw/zinc/90/66/18/1134906618.db2.gz BAAJKMUQVXTWAB-VIFPVBQESA-N 1 2 326.625 3.743 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cc(Br)no2)c1C ZINC000793952245 1135006555 /nfs/dbraw/zinc/00/65/55/1135006555.db2.gz NXEBBTZWXYZSQE-UHFFFAOYSA-N 1 2 343.246 3.891 20 0 EHADLO CC(C)n1nccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000279741474 1044501985 /nfs/dbraw/zinc/50/19/85/1044501985.db2.gz XBTLMZDEGGCDAU-LJQANCHMSA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1nccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000279741474 1044501997 /nfs/dbraw/zinc/50/19/97/1044501997.db2.gz XBTLMZDEGGCDAU-LJQANCHMSA-N 1 2 331.435 3.784 20 0 EHADLO Cc1nc(N[C@@H](C)c2cncc(F)c2)c(Br)c(C)[nH+]1 ZINC000663788869 1044563560 /nfs/dbraw/zinc/56/35/60/1044563560.db2.gz SEEUZTGGFCOHQF-ZETCQYMHSA-N 1 2 325.185 3.563 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](CC)Cc2cccs2)c1C ZINC000014071041 1044617499 /nfs/dbraw/zinc/61/74/99/1044617499.db2.gz CUBMYSLJCGZNEF-UHFFFAOYSA-N 1 2 348.468 3.575 20 0 EHADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](CC)Cc2cccs2)c1C ZINC000014071041 1044617507 /nfs/dbraw/zinc/61/75/07/1044617507.db2.gz CUBMYSLJCGZNEF-UHFFFAOYSA-N 1 2 348.468 3.575 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)cc(F)cc1C ZINC000614001352 1044657262 /nfs/dbraw/zinc/65/72/62/1044657262.db2.gz WKPYDUJEVUQESE-UHFFFAOYSA-N 1 2 331.435 3.754 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000344914296 1044680080 /nfs/dbraw/zinc/68/00/80/1044680080.db2.gz AXKXTEFUKNCFQG-SHPPYHEDSA-N 1 2 330.447 3.611 20 0 EHADLO COCC[C@@H]1CCCC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000344942934 1044723985 /nfs/dbraw/zinc/72/39/85/1044723985.db2.gz WQKGOMZJCOKTHO-NSHDSACASA-N 1 2 333.295 3.544 20 0 EHADLO COCC[C@@H]1CCCC[N@H+](Cc2ncc(Br)s2)C1 ZINC000344942934 1044723971 /nfs/dbraw/zinc/72/39/71/1044723971.db2.gz WQKGOMZJCOKTHO-NSHDSACASA-N 1 2 333.295 3.544 20 0 EHADLO O=C(N[C@@H]1CCCc2sccc21)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000344994554 1044794261 /nfs/dbraw/zinc/79/42/61/1044794261.db2.gz RFUGIWNOTIPNNW-IAGOWNOFSA-N 1 2 326.465 3.516 20 0 EHADLO O=C(N[C@@H]1CCCc2sccc21)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000344994554 1044794279 /nfs/dbraw/zinc/79/42/79/1044794279.db2.gz RFUGIWNOTIPNNW-IAGOWNOFSA-N 1 2 326.465 3.516 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)cs1 ZINC000663807723 1044871007 /nfs/dbraw/zinc/87/10/07/1044871007.db2.gz UQGMZTKUGMVAAN-SWLSCSKDSA-N 1 2 329.469 3.871 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000620333139 1125551714 /nfs/dbraw/zinc/55/17/14/1125551714.db2.gz JAJKZPINLBJQOB-WFASDCNBSA-N 1 2 348.244 3.570 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000620499969 1125583454 /nfs/dbraw/zinc/58/34/54/1125583454.db2.gz ZSFNEMOCUZTHOO-SNVBAGLBSA-N 1 2 344.217 3.987 20 0 EHADLO CCSCc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000153532279 1125627435 /nfs/dbraw/zinc/62/74/35/1125627435.db2.gz LKWZFYBAWNKXCA-UHFFFAOYSA-N 1 2 338.436 3.773 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000153558442 1125630337 /nfs/dbraw/zinc/63/03/37/1125630337.db2.gz CYSZFULXKZGFJG-HIFRSBDPSA-N 1 2 345.830 3.659 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000153581011 1125634441 /nfs/dbraw/zinc/63/44/41/1125634441.db2.gz JQRIOGRUGVQDIP-CQSZACIVSA-N 1 2 348.878 3.539 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000153581011 1125634443 /nfs/dbraw/zinc/63/44/43/1125634443.db2.gz JQRIOGRUGVQDIP-CQSZACIVSA-N 1 2 348.878 3.539 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCCc1ccccc1)c1cccs1 ZINC000154428612 1125718541 /nfs/dbraw/zinc/71/85/41/1125718541.db2.gz APDIAKVWOSISHU-QGZVFWFLSA-N 1 2 329.465 3.655 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCCc1ccccc1)c1cccs1 ZINC000154428612 1125718548 /nfs/dbraw/zinc/71/85/48/1125718548.db2.gz APDIAKVWOSISHU-QGZVFWFLSA-N 1 2 329.465 3.655 20 0 EHADLO COc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)ccc1SC ZINC000154496853 1125722925 /nfs/dbraw/zinc/72/29/25/1125722925.db2.gz XNWKQGFZVBMTKE-GFCCVEGCSA-N 1 2 325.474 3.579 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)ccc1SC ZINC000154496853 1125722933 /nfs/dbraw/zinc/72/29/33/1125722933.db2.gz XNWKQGFZVBMTKE-GFCCVEGCSA-N 1 2 325.474 3.579 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000154971132 1125771319 /nfs/dbraw/zinc/77/13/19/1125771319.db2.gz YKZFXOFLDJRPOA-AWEZNQCLSA-N 1 2 330.403 3.740 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000177949753 1131237439 /nfs/dbraw/zinc/23/74/39/1131237439.db2.gz MCQKGNJXUCSFBC-INIZCTEOSA-N 1 2 340.427 3.733 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000173220313 1126826857 /nfs/dbraw/zinc/82/68/57/1126826857.db2.gz GZTSAGWIPJJRQO-IUCAKERBSA-N 1 2 337.411 3.506 20 0 EHADLO Cc1ccc(NC(=O)Nc2ccc(O)cc2OC(C)C)c(N(C)C)[nH+]1 ZINC000763854094 1126883863 /nfs/dbraw/zinc/88/38/63/1126883863.db2.gz OLQXWVBGVJSIQA-UHFFFAOYSA-N 1 2 344.415 3.593 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCc3n[nH]cc3C1)CO2 ZINC000623236861 1126900955 /nfs/dbraw/zinc/90/09/55/1126900955.db2.gz IGQPFIDJJPLFCK-UHFFFAOYSA-N 1 2 336.222 3.551 20 0 EHADLO Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCc3n[nH]cc3C1)CO2 ZINC000623236861 1126900956 /nfs/dbraw/zinc/90/09/56/1126900956.db2.gz IGQPFIDJJPLFCK-UHFFFAOYSA-N 1 2 336.222 3.551 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000623243358 1126904525 /nfs/dbraw/zinc/90/45/25/1126904525.db2.gz LGTXNBRNMWVHFP-HNNXBMFYSA-N 1 2 340.452 3.637 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(OCCc2ccccc2)c1 ZINC000623270097 1126906411 /nfs/dbraw/zinc/90/64/11/1126906411.db2.gz CWPOCPHIWKQYLV-UHFFFAOYSA-N 1 2 349.434 3.924 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1C ZINC000623302806 1126911329 /nfs/dbraw/zinc/91/13/29/1126911329.db2.gz PKOBHWAIJLXMMM-MRXNPFEDSA-N 1 2 335.407 3.505 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ncc(Br)cc1F ZINC000623339291 1126920162 /nfs/dbraw/zinc/92/01/62/1126920162.db2.gz RTNQWFIOJIRORT-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)C1(c2ccccc2)CCCCCC1 ZINC000623366310 1126933653 /nfs/dbraw/zinc/93/36/53/1126933653.db2.gz UZIXRKOKWMSJEA-UHFFFAOYSA-N 1 2 325.456 3.682 20 0 EHADLO Cc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)ncc1Br ZINC000623554543 1126984119 /nfs/dbraw/zinc/98/41/19/1126984119.db2.gz CYORWQHOELJNGQ-JKSUJKDBSA-N 1 2 335.220 3.879 20 0 EHADLO Cn1c2ccccc2[nH+]c1NCc1ccc(N2CCCCCC2)nc1 ZINC000179283507 1127055127 /nfs/dbraw/zinc/05/51/27/1127055127.db2.gz XHQBCUVCCQMJGA-UHFFFAOYSA-N 1 2 335.455 3.961 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000179525318 1127069082 /nfs/dbraw/zinc/06/90/82/1127069082.db2.gz CWZYDRUGXHZIQK-UONOGXRCSA-N 1 2 333.432 3.805 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000179897274 1127098545 /nfs/dbraw/zinc/09/85/45/1127098545.db2.gz QXSRUISYGALOKI-CQSZACIVSA-N 1 2 330.403 3.740 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000179915997 1127099890 /nfs/dbraw/zinc/09/98/90/1127099890.db2.gz MHNNZZXSKPMJRV-ZDUSSCGKSA-N 1 2 325.387 3.937 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1 ZINC000180031951 1127111529 /nfs/dbraw/zinc/11/15/29/1127111529.db2.gz WGMOCNCNYZRGHD-FJXFWJLJSA-N 1 2 335.835 3.917 20 0 EHADLO Cc1nc2sccn2c1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000350925331 1127119536 /nfs/dbraw/zinc/11/95/36/1127119536.db2.gz PPNJQNGXRMFBQP-UHFFFAOYSA-N 1 2 348.391 3.607 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2ncc(Cl)cc2Cl)cc1 ZINC000180238586 1127135619 /nfs/dbraw/zinc/13/56/19/1127135619.db2.gz BYHSLZXCRIJXHF-HNNXBMFYSA-N 1 2 341.238 3.610 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)n1 ZINC000623921326 1127217330 /nfs/dbraw/zinc/21/73/30/1127217330.db2.gz SIYULKMGMBCTHH-ZWNOBZJWSA-N 1 2 341.274 3.598 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ncn(C)n1 ZINC000623965813 1127223874 /nfs/dbraw/zinc/22/38/74/1127223874.db2.gz WDLGKKTYKFFIMG-BONVTDFDSA-N 1 2 329.835 3.678 20 0 EHADLO CCC1(CC)CCC([NH2+]C(c2nccn2C)c2nccn2C)CC1 ZINC000624084145 1127248049 /nfs/dbraw/zinc/24/80/49/1127248049.db2.gz TUBMUTWFJYZCTK-UHFFFAOYSA-N 1 2 329.492 3.582 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000181654472 1127287763 /nfs/dbraw/zinc/28/77/63/1127287763.db2.gz HTKGBSAMWAFVRZ-GOSISDBHSA-N 1 2 338.407 3.828 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccccc1 ZINC000181676665 1127288664 /nfs/dbraw/zinc/28/86/64/1127288664.db2.gz UPLUZLXGFFZFGN-GOSISDBHSA-N 1 2 326.371 3.958 20 0 EHADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000182913676 1127354440 /nfs/dbraw/zinc/35/44/40/1127354440.db2.gz YOOMRDHKDCXTGK-CQSZACIVSA-N 1 2 348.385 3.765 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1OC1CCCC1 ZINC000182963705 1127356826 /nfs/dbraw/zinc/35/68/26/1127356826.db2.gz CCOJIPJRIQWBTF-AWEZNQCLSA-N 1 2 329.444 3.601 20 0 EHADLO c1coc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)c1 ZINC000183881047 1127388890 /nfs/dbraw/zinc/38/88/90/1127388890.db2.gz FQTBHRIBHBIHPC-FQEVSTJZSA-N 1 2 335.407 3.713 20 0 EHADLO CC1(C)Cc2occc2[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000183928905 1127389157 /nfs/dbraw/zinc/38/91/57/1127389157.db2.gz UBPWFRFGASNWFT-INIZCTEOSA-N 1 2 327.428 3.637 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)C[C@@H](C)c2nccs2)no1 ZINC000183929512 1127389642 /nfs/dbraw/zinc/38/96/42/1127389642.db2.gz IAZULXGYOWBJOJ-CYBMUJFWSA-N 1 2 328.441 3.737 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)C[C@@H](C)c2nccs2)no1 ZINC000183929512 1127389648 /nfs/dbraw/zinc/38/96/48/1127389648.db2.gz IAZULXGYOWBJOJ-CYBMUJFWSA-N 1 2 328.441 3.737 20 0 EHADLO COCCCCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184008136 1127391986 /nfs/dbraw/zinc/39/19/86/1127391986.db2.gz WHMIQAJXTYBWSE-INIZCTEOSA-N 1 2 331.378 3.895 20 0 EHADLO COCCCCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184008136 1127391989 /nfs/dbraw/zinc/39/19/89/1127391989.db2.gz WHMIQAJXTYBWSE-INIZCTEOSA-N 1 2 331.378 3.895 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)C(C)C)n1 ZINC000184188209 1127397667 /nfs/dbraw/zinc/39/76/67/1127397667.db2.gz PDSZRQUVFIFPHA-RDJZCZTQSA-N 1 2 345.512 3.658 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)C(C)C)n1 ZINC000184188194 1127397785 /nfs/dbraw/zinc/39/77/85/1127397785.db2.gz PDSZRQUVFIFPHA-WBVHZDCISA-N 1 2 345.512 3.658 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000184245274 1127399116 /nfs/dbraw/zinc/39/91/16/1127399116.db2.gz LSKNTICWJOQRNF-SFHVURJKSA-N 1 2 327.472 3.541 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000184245274 1127399120 /nfs/dbraw/zinc/39/91/20/1127399120.db2.gz LSKNTICWJOQRNF-SFHVURJKSA-N 1 2 327.472 3.541 20 0 EHADLO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460915 1127405321 /nfs/dbraw/zinc/40/53/21/1127405321.db2.gz TZFYMTNRSPLSHD-GFCCVEGCSA-N 1 2 347.484 3.739 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000184502554 1127407293 /nfs/dbraw/zinc/40/72/93/1127407293.db2.gz UTHSQUISEBDROI-MJBXVCDLSA-N 1 2 337.533 3.596 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](COC)c2ccco2)cc1 ZINC000184556262 1127408623 /nfs/dbraw/zinc/40/86/23/1127408623.db2.gz ADTONERYDZENAH-WMLDXEAASA-N 1 2 330.428 3.709 20 0 EHADLO CCc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)o1 ZINC000184743191 1127412349 /nfs/dbraw/zinc/41/23/49/1127412349.db2.gz NPHBPTGILULMHG-UHFFFAOYSA-N 1 2 335.451 3.840 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000184827225 1127413683 /nfs/dbraw/zinc/41/36/83/1127413683.db2.gz WWYBQMIFMNLIDO-SUMWQHHRSA-N 1 2 348.418 3.594 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000184827276 1127413794 /nfs/dbraw/zinc/41/37/94/1127413794.db2.gz WWYBQMIFMNLIDO-DYVFJYSZSA-N 1 2 348.418 3.594 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(c2ccccc2)C(C)C)o1 ZINC000184846730 1127414388 /nfs/dbraw/zinc/41/43/88/1127414388.db2.gz LEWRYSDXJGUMOY-SFHVURJKSA-N 1 2 344.455 3.561 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000764078894 1127441932 /nfs/dbraw/zinc/44/19/32/1127441932.db2.gz UQTYUSPAGHYTNW-IWEFOYFVSA-N 1 2 348.393 3.531 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000764078894 1127441933 /nfs/dbraw/zinc/44/19/33/1127441933.db2.gz UQTYUSPAGHYTNW-IWEFOYFVSA-N 1 2 348.393 3.531 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cn(-c2ccccc2)nn1 ZINC000154815213 1127459246 /nfs/dbraw/zinc/45/92/46/1127459246.db2.gz KYYZOFXHAXRWEP-SGTLLEGYSA-N 1 2 340.377 3.884 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1CCCCCCC1 ZINC000764416161 1127493302 /nfs/dbraw/zinc/49/33/02/1127493302.db2.gz IDESIKIUQILEGB-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764811243 1127537462 /nfs/dbraw/zinc/53/74/62/1127537462.db2.gz XUHVTMKOGGHVLH-FOIQADDNSA-N 1 2 333.435 3.795 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765047885 1127569252 /nfs/dbraw/zinc/56/92/52/1127569252.db2.gz DMGPWSUPANWGCD-HUUCEWRRSA-N 1 2 330.501 3.955 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000921516307 1127619937 /nfs/dbraw/zinc/61/99/37/1127619937.db2.gz MNEHUTGOCXXYSC-UHFFFAOYSA-N 1 2 346.631 3.817 20 0 EHADLO COc1cccc2c(NCc3nnc(-c4ccccc4)[nH]3)cc(C)[nH+]c12 ZINC000765491221 1127620264 /nfs/dbraw/zinc/62/02/64/1127620264.db2.gz XVTXELGGWBBQPT-UHFFFAOYSA-N 1 2 345.406 3.949 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)cc2[nH+]1 ZINC000010896596 1127632549 /nfs/dbraw/zinc/63/25/49/1127632549.db2.gz JHTZOLAHOQGZAI-GFCCVEGCSA-N 1 2 341.798 3.715 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccsc3)n2)C1 ZINC000012802267 1127643660 /nfs/dbraw/zinc/64/36/60/1127643660.db2.gz UOUUTWOEUNUOKK-LBPRGKRZSA-N 1 2 335.498 3.618 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccsc3)n2)C1 ZINC000012802267 1127643661 /nfs/dbraw/zinc/64/36/61/1127643661.db2.gz UOUUTWOEUNUOKK-LBPRGKRZSA-N 1 2 335.498 3.618 20 0 EHADLO Cc1ccsc1C[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015516880 1127654590 /nfs/dbraw/zinc/65/45/90/1127654590.db2.gz UWFLTOFOEISFDS-UHFFFAOYSA-N 1 2 333.844 3.578 20 0 EHADLO Cc1ccsc1C[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015516880 1127654591 /nfs/dbraw/zinc/65/45/91/1127654591.db2.gz UWFLTOFOEISFDS-UHFFFAOYSA-N 1 2 333.844 3.578 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccco1 ZINC000016381212 1127662186 /nfs/dbraw/zinc/66/21/86/1127662186.db2.gz LSPDCEWJWIKKBZ-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccco1 ZINC000016381212 1127662189 /nfs/dbraw/zinc/66/21/89/1127662189.db2.gz LSPDCEWJWIKKBZ-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666909 1127699101 /nfs/dbraw/zinc/69/91/01/1127699101.db2.gz JFCRMJONFBQGSF-ZDUSSCGKSA-N 1 2 348.393 3.995 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666909 1127699102 /nfs/dbraw/zinc/69/91/02/1127699102.db2.gz JFCRMJONFBQGSF-ZDUSSCGKSA-N 1 2 348.393 3.995 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(c2ccccc2)CCCC1 ZINC000024442140 1127705922 /nfs/dbraw/zinc/70/59/22/1127705922.db2.gz BXPRZWFHAIOMHG-UHFFFAOYSA-N 1 2 349.478 3.810 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000785439884 1127750869 /nfs/dbraw/zinc/75/08/69/1127750869.db2.gz RWQFUBBOCQHUGX-HUUCEWRRSA-N 1 2 329.465 3.770 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000785439884 1127750872 /nfs/dbraw/zinc/75/08/72/1127750872.db2.gz RWQFUBBOCQHUGX-HUUCEWRRSA-N 1 2 329.465 3.770 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1C ZINC000765739245 1127760016 /nfs/dbraw/zinc/76/00/16/1127760016.db2.gz GSZUDPRGDVQEHF-ALCCZGGFSA-N 1 2 335.407 3.518 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000671667928 1127796653 /nfs/dbraw/zinc/79/66/53/1127796653.db2.gz GOXPCMDOBDDESC-PWIZWCRZSA-N 1 2 326.484 3.725 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](OC)c2ccccc2)n1 ZINC000338544430 1127797418 /nfs/dbraw/zinc/79/74/18/1127797418.db2.gz ACSXKKFOONDHPP-HIFRSBDPSA-N 1 2 335.473 3.703 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](OC)c2ccccc2)n1 ZINC000338544430 1127797421 /nfs/dbraw/zinc/79/74/21/1127797421.db2.gz ACSXKKFOONDHPP-HIFRSBDPSA-N 1 2 335.473 3.703 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2cccs2)on1 ZINC000029909329 1127811137 /nfs/dbraw/zinc/81/11/37/1127811137.db2.gz UXTPDLHUXFNKQP-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000030004300 1127813014 /nfs/dbraw/zinc/81/30/14/1127813014.db2.gz RWRISIMBKISWSA-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000030004300 1127813015 /nfs/dbraw/zinc/81/30/15/1127813015.db2.gz RWRISIMBKISWSA-CYBMUJFWSA-N 1 2 337.872 3.937 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2csc3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000030030401 1127813848 /nfs/dbraw/zinc/81/38/48/1127813848.db2.gz HKWVWBRWJVGMSP-SFHVURJKSA-N 1 2 340.492 3.756 20 0 EHADLO C[N@H+]1CCN(C(=O)c2csc3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000030030401 1127813851 /nfs/dbraw/zinc/81/38/51/1127813851.db2.gz HKWVWBRWJVGMSP-SFHVURJKSA-N 1 2 340.492 3.756 20 0 EHADLO Cc1ccc(/C=C/C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030220252 1127816134 /nfs/dbraw/zinc/81/61/34/1127816134.db2.gz URQJPQDZYIKHKW-ZHACJKMWSA-N 1 2 331.419 3.569 20 0 EHADLO C[C@H](C(=O)N(Cc1ccco1)c1cccc(Cl)c1)[NH+]1CC(C)C1 ZINC000654767680 1127822865 /nfs/dbraw/zinc/82/28/65/1127822865.db2.gz JJZRRNJKVFYPBR-CQSZACIVSA-N 1 2 332.831 3.806 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(Cl)c1 ZINC000031661721 1127838458 /nfs/dbraw/zinc/83/84/58/1127838458.db2.gz GDQJPEXSVFEHSR-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265608985 1127843999 /nfs/dbraw/zinc/84/39/99/1127843999.db2.gz DTUHYZKZQHELCV-HNNXBMFYSA-N 1 2 325.456 3.872 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265634043 1127881633 /nfs/dbraw/zinc/88/16/33/1127881633.db2.gz KFFJPFUHUXQNJL-QAPCUYQASA-N 1 2 325.456 3.872 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(F)c(Cl)c1 ZINC000043268704 1127915573 /nfs/dbraw/zinc/91/55/73/1127915573.db2.gz PWQMDDDDICAFKC-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(OC2CCCC2)c1 ZINC000044203400 1127932526 /nfs/dbraw/zinc/93/25/26/1127932526.db2.gz DWWGZMQOAGITGS-UHFFFAOYSA-N 1 2 340.427 3.637 20 0 EHADLO Cc1cnn(-c2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)c1 ZINC000045056613 1127945057 /nfs/dbraw/zinc/94/50/57/1127945057.db2.gz CQNLHXZFRASERF-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO O=C(c1ccc(C(F)(F)F)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000671694208 1127946638 /nfs/dbraw/zinc/94/66/38/1127946638.db2.gz FKGNYPIQBFFJQM-SECBINFHSA-N 1 2 329.347 3.510 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2s1 ZINC000045674925 1127956929 /nfs/dbraw/zinc/95/69/29/1127956929.db2.gz JEKXNAAWCLQFMJ-UHFFFAOYSA-N 1 2 348.431 3.818 20 0 EHADLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@H]1CCCc2ccccc21 ZINC000045841840 1127961012 /nfs/dbraw/zinc/96/10/12/1127961012.db2.gz YKRYNOLNGXDGNQ-SFHVURJKSA-N 1 2 340.492 3.642 20 0 EHADLO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@H]1CCCc2ccccc21 ZINC000045841840 1127961014 /nfs/dbraw/zinc/96/10/14/1127961014.db2.gz YKRYNOLNGXDGNQ-SFHVURJKSA-N 1 2 340.492 3.642 20 0 EHADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105523 1127969013 /nfs/dbraw/zinc/96/90/13/1127969013.db2.gz JTASXFKUGIEFNA-CYBMUJFWSA-N 1 2 341.798 3.932 20 0 EHADLO Cc1cnn(-c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)c1 ZINC000046118669 1127969300 /nfs/dbraw/zinc/96/93/00/1127969300.db2.gz ROOGKPJPGIMKAV-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2c1C ZINC000046619737 1127984409 /nfs/dbraw/zinc/98/44/09/1127984409.db2.gz MQROZRGWOMXKAV-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO O=C(Nc1ccc(Cl)cc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047241115 1128003828 /nfs/dbraw/zinc/00/38/28/1128003828.db2.gz LALQVGGBGRQGGO-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO O=C(NCc1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047238885 1128004244 /nfs/dbraw/zinc/00/42/44/1128004244.db2.gz GZAGVQQJQRCWHG-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO CCn1c2ccccc2nc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047297246 1128005192 /nfs/dbraw/zinc/00/51/92/1128005192.db2.gz APTMVHRRWRGCKB-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCc2ccccc21 ZINC000047475792 1128008718 /nfs/dbraw/zinc/00/87/18/1128008718.db2.gz WZPBWNAIHDIUBW-OAQYLSRUSA-N 1 2 345.446 3.668 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(Cl)cc1Cl ZINC000056533199 1128022156 /nfs/dbraw/zinc/02/21/56/1128022156.db2.gz GDXNKPOYIKVJBE-UHFFFAOYSA-N 1 2 327.215 3.792 20 0 EHADLO CCN(C(=O)NCCCCn1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC000057373117 1128045457 /nfs/dbraw/zinc/04/54/57/1128045457.db2.gz ACKFLQQHUYNUOF-OAHLLOKOSA-N 1 2 332.423 3.595 20 0 EHADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000057378073 1128045963 /nfs/dbraw/zinc/04/59/63/1128045963.db2.gz MMJPCFXGHXWVSN-INIZCTEOSA-N 1 2 340.471 3.603 20 0 EHADLO O=C(C=C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000057359152 1128046075 /nfs/dbraw/zinc/04/60/75/1128046075.db2.gz ILGHIENQSOPIIY-UHFFFAOYSA-N 1 2 325.412 3.791 20 0 EHADLO CC(C)Oc1c(F)cc(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001212366770 1128046584 /nfs/dbraw/zinc/04/65/84/1128046584.db2.gz ZQRCPEGWQBWZTE-UHFFFAOYSA-N 1 2 349.381 3.727 20 0 EHADLO CCCCn1nnnc1C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000057846910 1128058976 /nfs/dbraw/zinc/05/89/76/1128058976.db2.gz HSUIKKUZBUYASS-UHFFFAOYSA-N 1 2 341.381 3.517 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000058604733 1128073706 /nfs/dbraw/zinc/07/37/06/1128073706.db2.gz PEUAIOSNSOECFO-UHFFFAOYSA-N 1 2 335.354 3.649 20 0 EHADLO CC1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058834972 1128082022 /nfs/dbraw/zinc/08/20/22/1128082022.db2.gz HHWGPMFVSYNKTE-FAFZWHIHSA-N 1 2 346.540 3.719 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3cccc(C)c3)CC2)c1C ZINC000058958997 1128086309 /nfs/dbraw/zinc/08/63/09/1128086309.db2.gz JEPCYSWWNWEXMC-UHFFFAOYSA-N 1 2 338.451 3.706 20 0 EHADLO COC1CCC([N@H+](C)Cn2nc(-c3cccs3)oc2=S)CC1 ZINC000734475671 1131241831 /nfs/dbraw/zinc/24/18/31/1131241831.db2.gz WVZAVMJERPNZAH-UHFFFAOYSA-N 1 2 339.486 3.781 20 0 EHADLO COC1CCC([N@@H+](C)Cn2nc(-c3cccs3)oc2=S)CC1 ZINC000734475671 1131241834 /nfs/dbraw/zinc/24/18/34/1131241834.db2.gz WVZAVMJERPNZAH-UHFFFAOYSA-N 1 2 339.486 3.781 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2ccccc2n1 ZINC000059887081 1128091421 /nfs/dbraw/zinc/09/14/21/1128091421.db2.gz PAQUVTSFGPCHPL-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO O=C(N[C@H]1CCSc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060604327 1128109543 /nfs/dbraw/zinc/10/95/43/1128109543.db2.gz USEOLEDREFOUNF-SFHVURJKSA-N 1 2 349.459 3.898 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614620 1128110324 /nfs/dbraw/zinc/11/03/24/1128110324.db2.gz QUDNRPUGRPMPHX-UHFFFAOYSA-N 1 2 333.435 3.984 20 0 EHADLO CCN(CCc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060625815 1128111106 /nfs/dbraw/zinc/11/11/06/1128111106.db2.gz MAAYCDUMZAMCDI-UHFFFAOYSA-N 1 2 333.435 3.636 20 0 EHADLO CCCCc1nc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cs1 ZINC000060816981 1128113610 /nfs/dbraw/zinc/11/36/10/1128113610.db2.gz JPIDKXJAERFRBS-CYBMUJFWSA-N 1 2 344.484 3.676 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000060857595 1128115240 /nfs/dbraw/zinc/11/52/40/1128115240.db2.gz BIHRXPABUNGDHH-QGZVFWFLSA-N 1 2 340.471 3.970 20 0 EHADLO CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060894789 1128115955 /nfs/dbraw/zinc/11/59/55/1128115955.db2.gz RDCWPUUHGWGSKG-HNNXBMFYSA-N 1 2 341.858 3.715 20 0 EHADLO COC1CCC([N@H+](C)Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000734474745 1131241960 /nfs/dbraw/zinc/24/19/60/1131241960.db2.gz DMANCRHURAIRHK-UHFFFAOYSA-N 1 2 333.457 3.719 20 0 EHADLO COC1CCC([N@@H+](C)Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000734474745 1131241964 /nfs/dbraw/zinc/24/19/64/1131241964.db2.gz DMANCRHURAIRHK-UHFFFAOYSA-N 1 2 333.457 3.719 20 0 EHADLO CC[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000671724962 1128138071 /nfs/dbraw/zinc/13/80/71/1128138071.db2.gz IAHVUQBYTVHHKX-HNNXBMFYSA-N 1 2 325.412 3.821 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1C ZINC000352097260 1128145376 /nfs/dbraw/zinc/14/53/76/1128145376.db2.gz QDTDJXGHLKONIE-CHWSQXEVSA-N 1 2 344.377 3.644 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+](Cc2ccccc2)C2CC2)cs1 ZINC000064431765 1128168336 /nfs/dbraw/zinc/16/83/36/1128168336.db2.gz LEZHXBLFUBNYFN-UHFFFAOYSA-N 1 2 344.480 3.802 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+](Cc2ccccc2)C2CC2)cs1 ZINC000064431765 1128168338 /nfs/dbraw/zinc/16/83/38/1128168338.db2.gz LEZHXBLFUBNYFN-UHFFFAOYSA-N 1 2 344.480 3.802 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000064547034 1128170492 /nfs/dbraw/zinc/17/04/92/1128170492.db2.gz BVULCHAQKUJMMF-UHFFFAOYSA-N 1 2 344.459 3.910 20 0 EHADLO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000671760530 1128244876 /nfs/dbraw/zinc/24/48/76/1128244876.db2.gz ZYJDEFZADBPADE-OQPBUACISA-N 1 2 332.306 3.596 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000066564570 1128221413 /nfs/dbraw/zinc/22/14/13/1128221413.db2.gz RCCQNGWKSZIQSQ-HNNXBMFYSA-N 1 2 331.485 3.836 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000066564570 1128221417 /nfs/dbraw/zinc/22/14/17/1128221417.db2.gz RCCQNGWKSZIQSQ-HNNXBMFYSA-N 1 2 331.485 3.836 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000066695683 1128224235 /nfs/dbraw/zinc/22/42/35/1128224235.db2.gz LSNJRRVFIPHRAM-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000066695683 1128224238 /nfs/dbraw/zinc/22/42/38/1128224238.db2.gz LSNJRRVFIPHRAM-UHFFFAOYSA-N 1 2 326.421 3.715 20 0 EHADLO C[C@@H](CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000067065176 1128233118 /nfs/dbraw/zinc/23/31/18/1128233118.db2.gz CTLJQENEPJKZFX-KRWDZBQOSA-N 1 2 348.450 3.817 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089899 1128282556 /nfs/dbraw/zinc/28/25/56/1128282556.db2.gz HVCBEOXSBUDFCH-ZDUSSCGKSA-N 1 2 340.452 3.811 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089899 1128282559 /nfs/dbraw/zinc/28/25/59/1128282559.db2.gz HVCBEOXSBUDFCH-ZDUSSCGKSA-N 1 2 340.452 3.811 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1Cl ZINC000072484610 1128298547 /nfs/dbraw/zinc/29/85/47/1128298547.db2.gz JUICNAAUEAEMQP-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072602663 1128302294 /nfs/dbraw/zinc/30/22/94/1128302294.db2.gz WNZPHJNRHZQKBY-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000072848510 1128307635 /nfs/dbraw/zinc/30/76/35/1128307635.db2.gz GLZTVOYLFYXKPQ-UHFFFAOYSA-N 1 2 334.404 3.799 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1cccnc1 ZINC000072988602 1128312454 /nfs/dbraw/zinc/31/24/54/1128312454.db2.gz QKAWGEILWJGGFJ-OSICKASQSA-N 1 2 344.418 3.644 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715357 1128327729 /nfs/dbraw/zinc/32/77/29/1128327729.db2.gz UPVNPUFCOTZUGF-AEFFLSMTSA-N 1 2 344.503 3.661 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H]([C@@H]3CCCCO3)C1)nc1ccccc12 ZINC000624401113 1128350248 /nfs/dbraw/zinc/35/02/48/1128350248.db2.gz KEARIXQXXSVSDH-BEFAXECRSA-N 1 2 336.439 3.668 20 0 EHADLO OC[C@]12CCC[C@H]1CN(c1[nH+]ccc3cc(Br)ccc31)C2 ZINC000624670957 1128424630 /nfs/dbraw/zinc/42/46/30/1128424630.db2.gz ZXASAJJECUYJDK-SUMWQHHRSA-N 1 2 347.256 3.596 20 0 EHADLO CCOC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCCC1 ZINC000921658414 1128439356 /nfs/dbraw/zinc/43/93/56/1128439356.db2.gz UIMHIQCQICBITG-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCO1 ZINC000921663868 1128441527 /nfs/dbraw/zinc/44/15/27/1128441527.db2.gz TWDIPCPTFYNBPG-DOTOQJQBSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CC(C)(C)CO3)cc2)[nH+]c1C ZINC000921667325 1128447445 /nfs/dbraw/zinc/44/74/45/1128447445.db2.gz FCUCZQICTHJWGJ-INIZCTEOSA-N 1 2 327.428 3.837 20 0 EHADLO Fc1ccccc1COc1ccc[nH+]c1NCCOc1cccnc1 ZINC001168619334 1128472181 /nfs/dbraw/zinc/47/21/81/1128472181.db2.gz QELTUDULOOLYKU-UHFFFAOYSA-N 1 2 339.370 3.686 20 0 EHADLO COc1cc2c(cc1F)C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000347633579 1128484541 /nfs/dbraw/zinc/48/45/41/1128484541.db2.gz DTRZDHLISAKEQW-UHFFFAOYSA-N 1 2 343.427 3.844 20 0 EHADLO COc1cc2c(cc1F)C[N@@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000347633579 1128484545 /nfs/dbraw/zinc/48/45/45/1128484545.db2.gz DTRZDHLISAKEQW-UHFFFAOYSA-N 1 2 343.427 3.844 20 0 EHADLO Clc1cccc(N2CCOCC2)c1CNc1cc2cc[nH]c2c[nH+]1 ZINC000655805350 1128486918 /nfs/dbraw/zinc/48/69/18/1128486918.db2.gz MHFRQXFZAQXZSM-UHFFFAOYSA-N 1 2 342.830 3.665 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1ccco1 ZINC000347635750 1128497472 /nfs/dbraw/zinc/49/74/72/1128497472.db2.gz LMQSORGUYCKVBG-IAGOWNOFSA-N 1 2 338.492 3.617 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856184 1128508667 /nfs/dbraw/zinc/50/86/67/1128508667.db2.gz LKSFFLUGBGEZCQ-CVEARBPZSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856184 1128508669 /nfs/dbraw/zinc/50/86/69/1128508669.db2.gz LKSFFLUGBGEZCQ-CVEARBPZSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1ncsc1CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000172533337 1128503033 /nfs/dbraw/zinc/50/30/33/1128503033.db2.gz FGQHXZACHNWKKR-OAHLLOKOSA-N 1 2 340.851 3.860 20 0 EHADLO Cc1ncsc1CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000172533337 1128503036 /nfs/dbraw/zinc/50/30/36/1128503036.db2.gz FGQHXZACHNWKKR-OAHLLOKOSA-N 1 2 340.851 3.860 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000057373338 1128633788 /nfs/dbraw/zinc/63/37/88/1128633788.db2.gz WBLUTECGGGWWDD-QGZVFWFLSA-N 1 2 346.862 3.863 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000060465873 1128732567 /nfs/dbraw/zinc/73/25/67/1128732567.db2.gz HPWLOLCJBGITFK-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000060465873 1128732572 /nfs/dbraw/zinc/73/25/72/1128732572.db2.gz HPWLOLCJBGITFK-LLVKDONJSA-N 1 2 330.482 3.724 20 0 EHADLO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CCc1c[nH]c[nH+]1 ZINC000475610893 1128747801 /nfs/dbraw/zinc/74/78/01/1128747801.db2.gz XXPNFIOTEZZKHO-LJQANCHMSA-N 1 2 327.472 3.992 20 0 EHADLO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CCc1c[nH+]c[nH]1 ZINC000475610893 1128747803 /nfs/dbraw/zinc/74/78/03/1128747803.db2.gz XXPNFIOTEZZKHO-LJQANCHMSA-N 1 2 327.472 3.992 20 0 EHADLO Cc1cn2cc(NC(=O)NC3(c4nccs4)CCCC3)ccc2[nH+]1 ZINC000265749474 1128763441 /nfs/dbraw/zinc/76/34/41/1128763441.db2.gz XJEUCGMFCCMHLR-UHFFFAOYSA-N 1 2 341.440 3.690 20 0 EHADLO CC(C)c1[nH]ncc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000338725624 1128766415 /nfs/dbraw/zinc/76/64/15/1128766415.db2.gz XFJFSPNKMUQOPZ-UHFFFAOYSA-N 1 2 347.488 3.618 20 0 EHADLO CC(C)c1n[nH]cc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000338725624 1128766418 /nfs/dbraw/zinc/76/64/18/1128766418.db2.gz XFJFSPNKMUQOPZ-UHFFFAOYSA-N 1 2 347.488 3.618 20 0 EHADLO Fc1cccc(OC(F)F)c1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921807876 1128780194 /nfs/dbraw/zinc/78/01/94/1128780194.db2.gz RTWMWYMUPWPWHT-UHFFFAOYSA-N 1 2 325.334 3.638 20 0 EHADLO COc1cc(CNc2cc[nH+]c(OCC(C)C)c2)cc(OC)c1OC ZINC001168673464 1128779922 /nfs/dbraw/zinc/77/99/22/1128779922.db2.gz KXMHNTLWDYMAFD-UHFFFAOYSA-N 1 2 346.427 3.754 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000347670378 1128796275 /nfs/dbraw/zinc/79/62/75/1128796275.db2.gz KKIOIYSAZXIONW-NSHDSACASA-N 1 2 345.447 3.585 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338737445 1128796392 /nfs/dbraw/zinc/79/63/92/1128796392.db2.gz RWZFIWVUAKTWOP-UHFFFAOYSA-N 1 2 327.472 3.722 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672144773 1128797859 /nfs/dbraw/zinc/79/78/59/1128797859.db2.gz IHRORZRZZJGTCR-HNNXBMFYSA-N 1 2 337.448 3.665 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CCc2c[nH+]cn2C1)Cc1ccc(Cl)cc1 ZINC000672146759 1128800996 /nfs/dbraw/zinc/80/09/96/1128800996.db2.gz TWAMZBCYODTYDO-INIZCTEOSA-N 1 2 345.874 3.627 20 0 EHADLO c1ccc(-c2nnc(C[NH2+]Cc3nccc4c3CCCC4)s2)cc1 ZINC000921841527 1128805806 /nfs/dbraw/zinc/80/58/06/1128805806.db2.gz TZYYUTPRCJDYPG-UHFFFAOYSA-N 1 2 336.464 3.769 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@H+](Cc3scnc3Cl)C2)c1 ZINC001137820939 1128820058 /nfs/dbraw/zinc/82/00/58/1128820058.db2.gz ACFLOBZHPYBLEV-AWEZNQCLSA-N 1 2 338.860 3.849 20 0 EHADLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3scnc3Cl)C2)c1 ZINC001137820939 1128820060 /nfs/dbraw/zinc/82/00/60/1128820060.db2.gz ACFLOBZHPYBLEV-AWEZNQCLSA-N 1 2 338.860 3.849 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338757304 1128879913 /nfs/dbraw/zinc/87/99/13/1128879913.db2.gz JSFGRWPYHPYFPI-HUUCEWRRSA-N 1 2 329.831 3.573 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N(CC3CC3)CC3CC3)ccc21 ZINC001670371145 1120042294 /nfs/dbraw/zinc/04/22/94/1120042294.db2.gz MRUCXBQQECMNPZ-UHFFFAOYSA-N 1 2 338.455 3.955 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2occc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648844550 1120053028 /nfs/dbraw/zinc/05/30/28/1120053028.db2.gz VFOZXGPEJIYERQ-QWQRMKEZSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2occc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648844550 1120053034 /nfs/dbraw/zinc/05/30/34/1120053034.db2.gz VFOZXGPEJIYERQ-QWQRMKEZSA-N 1 2 330.428 3.505 20 0 EHADLO C[C@H](C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C1CCC1 ZINC001648894549 1120061909 /nfs/dbraw/zinc/06/19/09/1120061909.db2.gz YQWBRYSEBSEUGC-AWEZNQCLSA-N 1 2 345.874 3.680 20 0 EHADLO C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001670702569 1120103854 /nfs/dbraw/zinc/10/38/54/1120103854.db2.gz DNIFFNGSPLUQQA-JXXFODFXSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1ncc(C[NH2+]Cc2ccn(C3CCCC3)n2)n1-c1ccccc1 ZINC000128982030 1120138624 /nfs/dbraw/zinc/13/86/24/1120138624.db2.gz GAXXVBQJNYSCIW-UHFFFAOYSA-N 1 2 335.455 3.782 20 0 EHADLO CC(C)[C@H]1CCCCCN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687360854 1120175993 /nfs/dbraw/zinc/17/59/93/1120175993.db2.gz KYEMHCFDIPMJMF-MOPGFXCFSA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)[C@H]1CCCCCN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687360854 1120175995 /nfs/dbraw/zinc/17/59/95/1120175995.db2.gz KYEMHCFDIPMJMF-MOPGFXCFSA-N 1 2 329.488 3.783 20 0 EHADLO CCOc1ccccc1CN1CC[N@H+](CCC(F)(F)F)[C@@H](C)C1 ZINC000441346347 1120268761 /nfs/dbraw/zinc/26/87/61/1120268761.db2.gz JDFKVWQQVLXRQB-AWEZNQCLSA-N 1 2 330.394 3.544 20 0 EHADLO CCOc1ccccc1CN1CC[N@@H+](CCC(F)(F)F)[C@@H](C)C1 ZINC000441346347 1120268764 /nfs/dbraw/zinc/26/87/64/1120268764.db2.gz JDFKVWQQVLXRQB-AWEZNQCLSA-N 1 2 330.394 3.544 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008120001 1128903567 /nfs/dbraw/zinc/90/35/67/1128903567.db2.gz XCAGPOFGCMLPEJ-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008120001 1128903570 /nfs/dbraw/zinc/90/35/70/1128903570.db2.gz XCAGPOFGCMLPEJ-UHFFFAOYSA-N 1 2 332.831 3.809 20 0 EHADLO [NH3+][C@H](c1nc(-c2ccc(F)cc2Br)no1)c1ccccc1 ZINC000228257612 1120291917 /nfs/dbraw/zinc/29/19/17/1120291917.db2.gz KEGLOHLEUDGDCC-ZDUSSCGKSA-N 1 2 348.175 3.686 20 0 EHADLO C=COc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC001670831632 1120324521 /nfs/dbraw/zinc/32/45/21/1120324521.db2.gz OYXSHFABBGFNSB-UHFFFAOYSA-N 1 2 336.395 3.529 20 0 EHADLO O=C(NC(C1CCCCC1)C1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001687421411 1120334113 /nfs/dbraw/zinc/33/41/13/1120334113.db2.gz KGPCBPFNMJZFSK-QGZVFWFLSA-N 1 2 344.503 3.636 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185318055 1120408337 /nfs/dbraw/zinc/40/83/37/1120408337.db2.gz CFWIQUBBUPOYPJ-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185318055 1120408339 /nfs/dbraw/zinc/40/83/39/1120408339.db2.gz CFWIQUBBUPOYPJ-CQSZACIVSA-N 1 2 330.378 3.701 20 0 EHADLO COc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1F ZINC000761613384 1120488437 /nfs/dbraw/zinc/48/84/37/1120488437.db2.gz IMVBJBJGGCYTEY-UHFFFAOYSA-N 1 2 336.326 3.737 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3cc(OC)ccc3o2)CC[S@@]1=O ZINC000187567030 1120503407 /nfs/dbraw/zinc/50/34/07/1120503407.db2.gz KUVIDAPNIBIFIS-QHCPKHFHSA-N 1 2 335.469 3.565 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[S@@]1=O ZINC000187567030 1120503408 /nfs/dbraw/zinc/50/34/08/1120503408.db2.gz KUVIDAPNIBIFIS-QHCPKHFHSA-N 1 2 335.469 3.565 20 0 EHADLO CCc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1 ZINC000494336745 1120532462 /nfs/dbraw/zinc/53/24/62/1120532462.db2.gz XGJJNLKROJCJSA-UHFFFAOYSA-N 1 2 344.480 3.774 20 0 EHADLO CCc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1 ZINC000494336745 1120532464 /nfs/dbraw/zinc/53/24/64/1120532464.db2.gz XGJJNLKROJCJSA-UHFFFAOYSA-N 1 2 344.480 3.774 20 0 EHADLO Fc1ccc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000761633771 1120644916 /nfs/dbraw/zinc/64/49/16/1120644916.db2.gz RYOKAQMAAZJSCU-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO CCOc1cc(O)ccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000191005261 1120658363 /nfs/dbraw/zinc/65/83/63/1120658363.db2.gz RGEGJIMDKJLUKK-BJMVGYQFSA-N 1 2 349.390 3.629 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000494655076 1120713103 /nfs/dbraw/zinc/71/31/03/1120713103.db2.gz PHYOZOPUNPDJOH-CQSZACIVSA-N 1 2 332.400 3.674 20 0 EHADLO Cc1cnc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(C)c1 ZINC000761654365 1120721567 /nfs/dbraw/zinc/72/15/67/1120721567.db2.gz WLFZXYATJGIJPE-UHFFFAOYSA-N 1 2 331.379 3.660 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(SC)cc1 ZINC000192247272 1120727965 /nfs/dbraw/zinc/72/79/65/1120727965.db2.gz BXULZBGHRINHKF-UHFFFAOYSA-N 1 2 331.485 3.720 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000672327504 1128937511 /nfs/dbraw/zinc/93/75/11/1128937511.db2.gz ITIOVWXUNYIKQV-RCCFBDPRSA-N 1 2 338.455 3.871 20 0 EHADLO Cc1ccccc1/C=C/C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000195209490 1120771040 /nfs/dbraw/zinc/77/10/40/1120771040.db2.gz GEPQLAORQFTHMD-ZHACJKMWSA-N 1 2 347.418 3.922 20 0 EHADLO C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000780578870 1120785627 /nfs/dbraw/zinc/78/56/27/1120785627.db2.gz ALGHINBXGCNOBW-GHMZBOCLSA-N 1 2 326.322 3.529 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1ccccc1F ZINC000195732574 1120814288 /nfs/dbraw/zinc/81/42/88/1120814288.db2.gz ANNNKNMFZWSQCH-CQSZACIVSA-N 1 2 332.394 3.664 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1ccccc1F ZINC000195732574 1120814290 /nfs/dbraw/zinc/81/42/90/1120814290.db2.gz ANNNKNMFZWSQCH-CQSZACIVSA-N 1 2 332.394 3.664 20 0 EHADLO O=C1[C@H]([NH2+]Cc2c(F)cccc2F)CCN1c1cccc(Cl)c1 ZINC000761837158 1120980610 /nfs/dbraw/zinc/98/06/10/1120980610.db2.gz YBKCXWCWOCXFDD-MRXNPFEDSA-N 1 2 336.769 3.513 20 0 EHADLO c1cn(-c2ccc(-c3nc([C@@H]4CCOc5ccccc54)no3)cc2)c[nH+]1 ZINC000762060262 1121085193 /nfs/dbraw/zinc/08/51/93/1121085193.db2.gz SIZGAJOASAUTSO-QGZVFWFLSA-N 1 2 344.374 3.837 20 0 EHADLO COC1CCC(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CC1 ZINC000762078127 1121095079 /nfs/dbraw/zinc/09/50/79/1121095079.db2.gz ALLNIXBPWCXZEQ-UHFFFAOYSA-N 1 2 338.411 3.670 20 0 EHADLO O[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2F)C1 ZINC001234969306 1121201016 /nfs/dbraw/zinc/20/10/16/1121201016.db2.gz XURPQOGUMZGFFV-NSHDSACASA-N 1 2 336.632 3.588 20 0 EHADLO O[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2F)C1 ZINC001234969306 1121201018 /nfs/dbraw/zinc/20/10/18/1121201018.db2.gz XURPQOGUMZGFFV-NSHDSACASA-N 1 2 336.632 3.588 20 0 EHADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1cc(Br)cs1 ZINC000637942773 1121288757 /nfs/dbraw/zinc/28/87/57/1121288757.db2.gz BSLDSHJPVYTJAM-ZDUSSCGKSA-N 1 2 340.290 3.827 20 0 EHADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000637942773 1121288761 /nfs/dbraw/zinc/28/87/61/1121288761.db2.gz BSLDSHJPVYTJAM-ZDUSSCGKSA-N 1 2 340.290 3.827 20 0 EHADLO CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000762698040 1121418234 /nfs/dbraw/zinc/41/82/34/1121418234.db2.gz SHKGAPLXCBBKRV-UHFFFAOYSA-N 1 2 337.379 3.617 20 0 EHADLO CCc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2F)on1 ZINC000572933479 1121468314 /nfs/dbraw/zinc/46/83/14/1121468314.db2.gz ZXIWNYNHRUKPGZ-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000255025504 1128986328 /nfs/dbraw/zinc/98/63/28/1128986328.db2.gz LQJIGBMDNKCCSY-VXGBXAGGSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000255025504 1128986330 /nfs/dbraw/zinc/98/63/30/1128986330.db2.gz LQJIGBMDNKCCSY-VXGBXAGGSA-N 1 2 345.270 3.821 20 0 EHADLO CCOc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000236943296 1121469255 /nfs/dbraw/zinc/46/92/55/1121469255.db2.gz XSROOBQSXCPKGM-UHFFFAOYSA-N 1 2 327.428 3.570 20 0 EHADLO Clc1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000237702624 1121492787 /nfs/dbraw/zinc/49/27/87/1121492787.db2.gz KEPYAMBUJKODMJ-UHFFFAOYSA-N 1 2 338.238 3.837 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000193792681 1121653591 /nfs/dbraw/zinc/65/35/91/1121653591.db2.gz OIZRDVSKWGYVBC-RDJZCZTQSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1ccc(F)c(C[NH+]2CC(c3cccnc3)C2)c1Br ZINC001235767504 1121697385 /nfs/dbraw/zinc/69/73/85/1121697385.db2.gz RUPNKDCBSRXPHO-UHFFFAOYSA-N 1 2 335.220 3.891 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1Cl)OCCn1cc[nH+]c1 ZINC000763114674 1121697620 /nfs/dbraw/zinc/69/76/20/1121697620.db2.gz STLGDNCWRRACDH-UHFFFAOYSA-N 1 2 343.210 3.592 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2[nH+]c(C)ccc2C)c(OC)c1 ZINC001212461812 1129005238 /nfs/dbraw/zinc/00/52/38/1129005238.db2.gz MZMRGOZQKHXJAY-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)oc1C ZINC000054118294 1121739914 /nfs/dbraw/zinc/73/99/14/1121739914.db2.gz REFYNQGKNCNHEB-UHFFFAOYSA-N 1 2 340.379 3.662 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)oc1C ZINC000054118294 1121739919 /nfs/dbraw/zinc/73/99/19/1121739919.db2.gz REFYNQGKNCNHEB-UHFFFAOYSA-N 1 2 340.379 3.662 20 0 EHADLO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000054224962 1121750682 /nfs/dbraw/zinc/75/06/82/1121750682.db2.gz MHKQDDYRCUHNQR-AWEZNQCLSA-N 1 2 339.370 3.726 20 0 EHADLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000648863962 1121751777 /nfs/dbraw/zinc/75/17/77/1121751777.db2.gz GJEGESSAFAGNCW-SECBINFHSA-N 1 2 325.771 3.533 20 0 EHADLO COc1cccc(C2(c3noc(C[NH+]4CCC(C)CC4)n3)CCC2)c1 ZINC000347450678 1121775108 /nfs/dbraw/zinc/77/51/08/1121775108.db2.gz PLTWLIQNTOTMFU-UHFFFAOYSA-N 1 2 341.455 3.780 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCc3ccc(F)c(Cl)c3F)nn2)c1C ZINC001168505868 1121885590 /nfs/dbraw/zinc/88/55/90/1121885590.db2.gz ODIZLEOWGAFAQT-UHFFFAOYSA-N 1 2 349.772 3.823 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cs1 ZINC000171783078 1121969872 /nfs/dbraw/zinc/96/98/72/1121969872.db2.gz HPLJIURAMNUYNG-VXGBXAGGSA-N 1 2 345.468 3.586 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C/C(Cl)=C/Cl)CC1 ZINC000496274433 1122043890 /nfs/dbraw/zinc/04/38/90/1122043890.db2.gz LPUBUSOXWIHPEX-BENRWUELSA-N 1 2 335.275 3.781 20 0 EHADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C/C(Cl)=C/Cl)CC1 ZINC000496274433 1122043894 /nfs/dbraw/zinc/04/38/94/1122043894.db2.gz LPUBUSOXWIHPEX-BENRWUELSA-N 1 2 335.275 3.781 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000916152610 1122081915 /nfs/dbraw/zinc/08/19/15/1122081915.db2.gz VMULTKDWOYUDMX-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000916152610 1122081921 /nfs/dbraw/zinc/08/19/21/1122081921.db2.gz VMULTKDWOYUDMX-LSDHHAIUSA-N 1 2 336.435 3.836 20 0 EHADLO Cc1cc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000496891278 1122200602 /nfs/dbraw/zinc/20/06/02/1122200602.db2.gz HNIGAMDUIPUWDK-CABCVRRESA-N 1 2 348.491 3.648 20 0 EHADLO Oc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1Cl ZINC000328333209 1122206375 /nfs/dbraw/zinc/20/63/75/1122206375.db2.gz JRFUDQDSMCYKRO-QGZVFWFLSA-N 1 2 330.859 3.972 20 0 EHADLO CC(C)[C@@H]1C[C@@H](Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496921846 1122214558 /nfs/dbraw/zinc/21/45/58/1122214558.db2.gz RBTFXIGZFHKKDX-HOTGVXAUSA-N 1 2 349.475 3.722 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCn2c(cc3ccccc32)C1 ZINC000672668980 1129040703 /nfs/dbraw/zinc/04/07/03/1129040703.db2.gz YSGCVCTVBFAPGR-UHFFFAOYSA-N 1 2 345.406 3.727 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000037997459 1122247332 /nfs/dbraw/zinc/24/73/32/1122247332.db2.gz IMFAZFIZNJYZIC-UHFFFAOYSA-N 1 2 338.176 3.607 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)oc1C ZINC000124413326 1122284159 /nfs/dbraw/zinc/28/41/59/1122284159.db2.gz WKBLVDKXSQIOCR-UHFFFAOYSA-N 1 2 327.428 3.602 20 0 EHADLO CNc1ccc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)cn1 ZINC001203454437 1122307943 /nfs/dbraw/zinc/30/79/43/1122307943.db2.gz DRAXUVPLCJEPAN-UHFFFAOYSA-N 1 2 346.232 3.894 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000126426813 1122405647 /nfs/dbraw/zinc/40/56/47/1122405647.db2.gz YCWCEOMFTOBUIR-JMPCBMNKSA-N 1 2 327.403 3.535 20 0 EHADLO CCn1c(C)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000065729432 1122415328 /nfs/dbraw/zinc/41/53/28/1122415328.db2.gz ODTXMTJOLALAFU-UHFFFAOYSA-N 1 2 326.375 3.702 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000126698783 1122420002 /nfs/dbraw/zinc/42/00/02/1122420002.db2.gz BUZXZMVPNDRAJT-QGZVFWFLSA-N 1 2 337.467 3.882 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000917076927 1122473930 /nfs/dbraw/zinc/47/39/30/1122473930.db2.gz OHPZXYIJKNJAJC-SFNKJDCFSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000917076927 1122473931 /nfs/dbraw/zinc/47/39/31/1122473931.db2.gz OHPZXYIJKNJAJC-SFNKJDCFSA-N 1 2 347.503 3.593 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000066563218 1122474401 /nfs/dbraw/zinc/47/44/01/1122474401.db2.gz QPNTVKOXNWQRGV-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000066563218 1122474406 /nfs/dbraw/zinc/47/44/06/1122474406.db2.gz QPNTVKOXNWQRGV-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO C[N@H+](CCOc1cccc(F)c1)Cc1ccn(-c2ccccc2)n1 ZINC000917068648 1122474430 /nfs/dbraw/zinc/47/44/30/1122474430.db2.gz ORYOOSGRARSBCZ-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1cccc(F)c1)Cc1ccn(-c2ccccc2)n1 ZINC000917068648 1122474434 /nfs/dbraw/zinc/47/44/34/1122474434.db2.gz ORYOOSGRARSBCZ-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO COc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850295 1122488135 /nfs/dbraw/zinc/48/81/35/1122488135.db2.gz RCNPRCCRPRTPGU-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850295 1122488137 /nfs/dbraw/zinc/48/81/37/1122488137.db2.gz RCNPRCCRPRTPGU-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO C/C=C/c1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000497370204 1122513358 /nfs/dbraw/zinc/51/33/58/1122513358.db2.gz NDLRYHXMUAKWLO-RCFWFJCLSA-N 1 2 338.455 3.940 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000067462816 1122515825 /nfs/dbraw/zinc/51/58/25/1122515825.db2.gz DBQAKSFBXDEUOE-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000067462816 1122515830 /nfs/dbraw/zinc/51/58/30/1122515830.db2.gz DBQAKSFBXDEUOE-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(Cl)c1 ZINC000067554932 1122521050 /nfs/dbraw/zinc/52/10/50/1122521050.db2.gz WLQWIQOUFYGHSZ-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](C1CC1)C1CCCCC1 ZINC000917429539 1122606714 /nfs/dbraw/zinc/60/67/14/1122606714.db2.gz RGFRSOLDAXRWBV-UHFFFAOYSA-N 1 2 326.440 3.587 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](C1CC1)C1CCCCC1 ZINC000917429539 1122606717 /nfs/dbraw/zinc/60/67/17/1122606717.db2.gz RGFRSOLDAXRWBV-UHFFFAOYSA-N 1 2 326.440 3.587 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000128490921 1122608962 /nfs/dbraw/zinc/60/89/62/1122608962.db2.gz ABYAJVPNRLAZEP-CYBMUJFWSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000128490921 1122608963 /nfs/dbraw/zinc/60/89/63/1122608963.db2.gz ABYAJVPNRLAZEP-CYBMUJFWSA-N 1 2 330.453 3.547 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000917480253 1122613236 /nfs/dbraw/zinc/61/32/36/1122613236.db2.gz YRRZXDVOUVGJLR-UHFFFAOYSA-N 1 2 346.814 3.736 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000917480253 1122613240 /nfs/dbraw/zinc/61/32/40/1122613240.db2.gz YRRZXDVOUVGJLR-UHFFFAOYSA-N 1 2 346.814 3.736 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nnn(C(C)(C)C)c2=S)c1 ZINC000917617540 1122650146 /nfs/dbraw/zinc/65/01/46/1122650146.db2.gz KIWJROFSXBBIEF-HNNXBMFYSA-N 1 2 331.489 3.667 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nnn(C(C)(C)C)c2=S)c1 ZINC000917617540 1122650147 /nfs/dbraw/zinc/65/01/47/1122650147.db2.gz KIWJROFSXBBIEF-HNNXBMFYSA-N 1 2 331.489 3.667 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000917995425 1122727873 /nfs/dbraw/zinc/72/78/73/1122727873.db2.gz JGCSPHQZHPCTEO-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000917995425 1122727878 /nfs/dbraw/zinc/72/78/78/1122727878.db2.gz JGCSPHQZHPCTEO-CQSZACIVSA-N 1 2 342.842 3.968 20 0 EHADLO C/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000918068283 1122740348 /nfs/dbraw/zinc/74/03/48/1122740348.db2.gz HSCLOLIZXITZKI-SFQUDFHCSA-N 1 2 331.419 3.651 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069819 1122750031 /nfs/dbraw/zinc/75/00/31/1122750031.db2.gz HDXXEKLUFDIROA-GFCCVEGCSA-N 1 2 336.819 3.882 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069819 1122750036 /nfs/dbraw/zinc/75/00/36/1122750036.db2.gz HDXXEKLUFDIROA-GFCCVEGCSA-N 1 2 336.819 3.882 20 0 EHADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000069070259 1122750100 /nfs/dbraw/zinc/75/01/00/1122750100.db2.gz BHMZEBZIMVMTSK-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000069070259 1122750105 /nfs/dbraw/zinc/75/01/05/1122750105.db2.gz BHMZEBZIMVMTSK-LLVKDONJSA-N 1 2 326.318 3.930 20 0 EHADLO Cc1ccccc1-n1cc(CNc2[nH+]c3ccccc3n2C2CC2)nn1 ZINC000672811961 1129078043 /nfs/dbraw/zinc/07/80/43/1129078043.db2.gz GHRFWINBCFMMFZ-UHFFFAOYSA-N 1 2 344.422 3.872 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1csc(-c2ccccc2)n1 ZINC000672833239 1129080025 /nfs/dbraw/zinc/08/00/25/1129080025.db2.gz YZSXNYAFTANZHV-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc(F)c1 ZINC000130013751 1122866062 /nfs/dbraw/zinc/86/60/62/1122866062.db2.gz PUEWBWKRYYYNAA-GJZGRUSLSA-N 1 2 346.471 3.896 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc(F)c1 ZINC000130013944 1122866220 /nfs/dbraw/zinc/86/62/20/1122866220.db2.gz PUEWBWKRYYYNAA-CABCVRRESA-N 1 2 346.471 3.896 20 0 EHADLO CC(C)(C)c1ccc(/C=C/C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918706739 1122891138 /nfs/dbraw/zinc/89/11/38/1122891138.db2.gz WYFRIEUHQNHAGC-DHZHZOJOSA-N 1 2 325.456 3.790 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cccc(F)c1Cl ZINC000672847508 1129086860 /nfs/dbraw/zinc/08/68/60/1129086860.db2.gz SWJCONZPICKNRI-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO OCC[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000070927472 1122945096 /nfs/dbraw/zinc/94/50/96/1122945096.db2.gz VUKKBYVRWOLYKQ-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO OCC[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000070927472 1122945101 /nfs/dbraw/zinc/94/51/01/1122945101.db2.gz VUKKBYVRWOLYKQ-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO CCS[C@@H](C)c1noc(Cn2c[nH+]c(Cc3ccccc3)c2)n1 ZINC000919145311 1122986233 /nfs/dbraw/zinc/98/62/33/1122986233.db2.gz ZITHBCFJQOHAQS-ZDUSSCGKSA-N 1 2 328.441 3.719 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1nc(C2CCCCC2)no1 ZINC000763440137 1123099659 /nfs/dbraw/zinc/09/96/59/1123099659.db2.gz ZXKREVKZHSIGGE-CYBMUJFWSA-N 1 2 327.428 3.998 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000131435798 1123106308 /nfs/dbraw/zinc/10/63/08/1123106308.db2.gz SGFLMUFOJGPKCZ-HNNXBMFYSA-N 1 2 345.874 3.922 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C)c1c(C)noc1C)Cc1ccccc1Cl ZINC000672895683 1129099902 /nfs/dbraw/zinc/09/99/02/1129099902.db2.gz BEOFFPVVJMXYRL-GFCCVEGCSA-N 1 2 349.862 3.644 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C)c1c(C)noc1C)Cc1ccccc1Cl ZINC000672895683 1129099905 /nfs/dbraw/zinc/09/99/05/1129099905.db2.gz BEOFFPVVJMXYRL-GFCCVEGCSA-N 1 2 349.862 3.644 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1Br ZINC000072822681 1123163855 /nfs/dbraw/zinc/16/38/55/1123163855.db2.gz MPKLSJIWQXYJFI-GFCCVEGCSA-N 1 2 330.229 3.948 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000073590336 1123211087 /nfs/dbraw/zinc/21/10/87/1123211087.db2.gz AFQCZLUQWGXQPN-FQEVSTJZSA-N 1 2 344.503 3.794 20 0 EHADLO CCc1ccc(C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)o1 ZINC000132346451 1123220827 /nfs/dbraw/zinc/22/08/27/1123220827.db2.gz GIHBMMMNWPENAF-INIZCTEOSA-N 1 2 326.400 3.774 20 0 EHADLO O=C(NCCn1cc[nH+]c1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000073841026 1123223881 /nfs/dbraw/zinc/22/38/81/1123223881.db2.gz XBMDXUSAPBGNCF-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000919946523 1123241853 /nfs/dbraw/zinc/24/18/53/1123241853.db2.gz BUEOXILKMISRDO-KRWDZBQOSA-N 1 2 331.485 3.775 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000919946523 1123241856 /nfs/dbraw/zinc/24/18/56/1123241856.db2.gz BUEOXILKMISRDO-KRWDZBQOSA-N 1 2 331.485 3.775 20 0 EHADLO CC[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000919954697 1123245182 /nfs/dbraw/zinc/24/51/82/1123245182.db2.gz XOQMQSGCGWLATD-WOJBJXKFSA-N 1 2 348.446 3.570 20 0 EHADLO CC[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000919954697 1123245184 /nfs/dbraw/zinc/24/51/84/1123245184.db2.gz XOQMQSGCGWLATD-WOJBJXKFSA-N 1 2 348.446 3.570 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc3c2CCC3)[nH+]1 ZINC000920017212 1123264222 /nfs/dbraw/zinc/26/42/22/1123264222.db2.gz CUIRXGTUJCATHB-UHFFFAOYSA-N 1 2 339.435 3.685 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132851240 1123308645 /nfs/dbraw/zinc/30/86/45/1123308645.db2.gz BXSPUDDMUJZZLD-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132851240 1123308648 /nfs/dbraw/zinc/30/86/48/1123308648.db2.gz BXSPUDDMUJZZLD-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000920244181 1123346686 /nfs/dbraw/zinc/34/66/86/1123346686.db2.gz NFIBEPBTFLALOX-JTDSTZFVSA-N 1 2 332.488 3.882 20 0 EHADLO CC(C)c1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000920244181 1123346689 /nfs/dbraw/zinc/34/66/89/1123346689.db2.gz NFIBEPBTFLALOX-JTDSTZFVSA-N 1 2 332.488 3.882 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCOc1ccccc1Br)CC2 ZINC000508890784 1123380096 /nfs/dbraw/zinc/38/00/96/1123380096.db2.gz KYECYEBCLJAGDX-UHFFFAOYSA-N 1 2 348.240 3.592 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCOc1ccccc1Br)CC2 ZINC000508890784 1123380100 /nfs/dbraw/zinc/38/01/00/1123380100.db2.gz KYECYEBCLJAGDX-UHFFFAOYSA-N 1 2 348.240 3.592 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022466 1129118757 /nfs/dbraw/zinc/11/87/57/1129118757.db2.gz XGRCNHNMUAQXIC-QAPCUYQASA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022466 1129118759 /nfs/dbraw/zinc/11/87/59/1129118759.db2.gz XGRCNHNMUAQXIC-QAPCUYQASA-N 1 2 342.405 3.792 20 0 EHADLO COCCn1cnn(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000921045375 1123458623 /nfs/dbraw/zinc/45/86/23/1123458623.db2.gz BTQGFOQPXPKUBF-UHFFFAOYSA-N 1 2 340.537 3.555 20 0 EHADLO COCCn1cnn(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000921045375 1123458624 /nfs/dbraw/zinc/45/86/24/1123458624.db2.gz BTQGFOQPXPKUBF-UHFFFAOYSA-N 1 2 340.537 3.555 20 0 EHADLO CC(C)c1cccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000921153823 1123473031 /nfs/dbraw/zinc/47/30/31/1123473031.db2.gz SOFFPEVMJWGLBL-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cs1 ZINC000236840337 1123475287 /nfs/dbraw/zinc/47/52/87/1123475287.db2.gz ODMNHQZWQFKTCL-MRXNPFEDSA-N 1 2 349.887 3.946 20 0 EHADLO COc1ccccc1SCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000134358762 1123518562 /nfs/dbraw/zinc/51/85/62/1123518562.db2.gz NSWNHBLYMXXRRO-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1ccc(-n2cncn2)cc1 ZINC000134421540 1123522072 /nfs/dbraw/zinc/52/20/72/1123522072.db2.gz HJHQJICVBZHZHV-UHFFFAOYSA-N 1 2 332.411 3.639 20 0 EHADLO CC(C)c1nnc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479128 1123529300 /nfs/dbraw/zinc/52/93/00/1123529300.db2.gz RKACDUGAFDOCAR-DLBZAZTESA-N 1 2 342.487 3.616 20 0 EHADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000347479128 1123529305 /nfs/dbraw/zinc/52/93/05/1123529305.db2.gz RKACDUGAFDOCAR-DLBZAZTESA-N 1 2 342.487 3.616 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCC2CC2)C[C@H](C)O1 ZINC000077274630 1123543985 /nfs/dbraw/zinc/54/39/85/1123543985.db2.gz UXONTZRIAZFHRL-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCC2CC2)C[C@H](C)O1 ZINC000077274630 1123543989 /nfs/dbraw/zinc/54/39/89/1123543989.db2.gz UXONTZRIAZFHRL-IYBDPMFKSA-N 1 2 345.487 3.608 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000356991829 1129130708 /nfs/dbraw/zinc/13/07/08/1129130708.db2.gz XUERNDIBHVCMJB-UHFFFAOYSA-N 1 2 333.819 3.813 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000356991829 1129130710 /nfs/dbraw/zinc/13/07/10/1129130710.db2.gz XUERNDIBHVCMJB-UHFFFAOYSA-N 1 2 333.819 3.813 20 0 EHADLO C[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccc(F)cc1 ZINC000135100848 1123582766 /nfs/dbraw/zinc/58/27/66/1123582766.db2.gz ZDDBGUNXWROQEB-UHFFFAOYSA-N 1 2 333.313 3.786 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccc(F)cc1 ZINC000135100848 1123582770 /nfs/dbraw/zinc/58/27/70/1123582770.db2.gz ZDDBGUNXWROQEB-UHFFFAOYSA-N 1 2 333.313 3.786 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135474992 1123620240 /nfs/dbraw/zinc/62/02/40/1123620240.db2.gz AVCJTZURRQGTTC-VQHPVUNQSA-N 1 2 345.487 3.701 20 0 EHADLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135474992 1123620244 /nfs/dbraw/zinc/62/02/44/1123620244.db2.gz AVCJTZURRQGTTC-VQHPVUNQSA-N 1 2 345.487 3.701 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)o1 ZINC000078621929 1123642884 /nfs/dbraw/zinc/64/28/84/1123642884.db2.gz YJCZZIYJZHMCRA-NSHDSACASA-N 1 2 347.415 3.796 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)o1 ZINC000078621929 1123642886 /nfs/dbraw/zinc/64/28/86/1123642886.db2.gz YJCZZIYJZHMCRA-NSHDSACASA-N 1 2 347.415 3.796 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000175263186 1123643903 /nfs/dbraw/zinc/64/39/03/1123643903.db2.gz GRYUFPCSQAOLKR-LPHOPBHVSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000175263186 1123643905 /nfs/dbraw/zinc/64/39/05/1123643905.db2.gz GRYUFPCSQAOLKR-LPHOPBHVSA-N 1 2 333.435 3.540 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000136215762 1123677707 /nfs/dbraw/zinc/67/77/07/1123677707.db2.gz IIPCQWNUPHNXFR-GOSISDBHSA-N 1 2 325.412 3.709 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000079391094 1123691172 /nfs/dbraw/zinc/69/11/72/1123691172.db2.gz FLHJWRNFOQRNFS-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000079391094 1123691174 /nfs/dbraw/zinc/69/11/74/1123691174.db2.gz FLHJWRNFOQRNFS-LBPRGKRZSA-N 1 2 329.271 3.999 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccccc1 ZINC000136503461 1123700846 /nfs/dbraw/zinc/70/08/46/1123700846.db2.gz MBBMVYWBDPCUNB-BLLLJJGKSA-N 1 2 330.453 3.661 20 0 EHADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccco1 ZINC000079845485 1123727362 /nfs/dbraw/zinc/72/73/62/1123727362.db2.gz CQZDXMSVHABJQM-UHFFFAOYSA-N 1 2 332.419 3.678 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccco1 ZINC000079845485 1123727369 /nfs/dbraw/zinc/72/73/69/1123727369.db2.gz CQZDXMSVHABJQM-UHFFFAOYSA-N 1 2 332.419 3.678 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025831 1123744969 /nfs/dbraw/zinc/74/49/69/1123744969.db2.gz GDQJWHIVVVBJGY-WMZOPIPTSA-N 1 2 344.503 3.792 20 0 EHADLO CCC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C[C@@H]1CCCCO1 ZINC000137239965 1123755306 /nfs/dbraw/zinc/75/53/06/1123755306.db2.gz YQIXYCFQIRCVGF-KGLIPLIRSA-N 1 2 327.494 3.665 20 0 EHADLO CCC[N@H+](Cc1nc([C@@H](C)SCC)no1)C[C@@H]1CCCCO1 ZINC000137239965 1123755310 /nfs/dbraw/zinc/75/53/10/1123755310.db2.gz YQIXYCFQIRCVGF-KGLIPLIRSA-N 1 2 327.494 3.665 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080468794 1123755407 /nfs/dbraw/zinc/75/54/07/1123755407.db2.gz AMQLRJXFBOGSSY-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080468794 1123755411 /nfs/dbraw/zinc/75/54/11/1123755411.db2.gz AMQLRJXFBOGSSY-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000615334498 1123782938 /nfs/dbraw/zinc/78/29/38/1123782938.db2.gz KQEXDJOODOPYTE-NXEZZACHSA-N 1 2 340.320 3.921 20 0 EHADLO Cc1cccc(C2(C(=O)NC[C@H](C)Cn3cc[nH+]c3)CCCCC2)c1 ZINC000153420124 1123789426 /nfs/dbraw/zinc/78/94/26/1123789426.db2.gz KZTPLGWIFYQSOK-SFHVURJKSA-N 1 2 339.483 3.846 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000245465308 1123840383 /nfs/dbraw/zinc/84/03/83/1123840383.db2.gz YHJILFHKWPEQRS-GDBMZVCRSA-N 1 2 328.412 3.700 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000245465308 1123840389 /nfs/dbraw/zinc/84/03/89/1123840389.db2.gz YHJILFHKWPEQRS-GDBMZVCRSA-N 1 2 328.412 3.700 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000179930301 1123904305 /nfs/dbraw/zinc/90/43/05/1123904305.db2.gz ZJKGSVLAGSOHTP-KRWDZBQOSA-N 1 2 346.471 3.595 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000179930301 1123904308 /nfs/dbraw/zinc/90/43/08/1123904308.db2.gz ZJKGSVLAGSOHTP-KRWDZBQOSA-N 1 2 346.471 3.595 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000245662526 1123914712 /nfs/dbraw/zinc/91/47/12/1123914712.db2.gz HVOQBOYWJAHYBN-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000245662526 1123914719 /nfs/dbraw/zinc/91/47/19/1123914719.db2.gz HVOQBOYWJAHYBN-ROUUACIJSA-N 1 2 348.368 3.588 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)sc2C1 ZINC000245687559 1123923120 /nfs/dbraw/zinc/92/31/20/1123923120.db2.gz IWRAAHDHWTWIFX-HZSPNIEDSA-N 1 2 333.501 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)sc2C1 ZINC000245687559 1123923124 /nfs/dbraw/zinc/92/31/24/1123923124.db2.gz IWRAAHDHWTWIFX-HZSPNIEDSA-N 1 2 333.501 3.676 20 0 EHADLO CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H](C)c1ccc(F)cc1 ZINC000616094077 1123941599 /nfs/dbraw/zinc/94/15/99/1123941599.db2.gz MRKXRJFLEJISGY-OAHLLOKOSA-N 1 2 344.434 3.815 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616095978 1123942156 /nfs/dbraw/zinc/94/21/56/1123942156.db2.gz NDEXTZOVMZOKMC-FCGDIQPGSA-N 1 2 337.467 3.614 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000616153923 1123952785 /nfs/dbraw/zinc/95/27/85/1123952785.db2.gz KUCGLNIOCDWJQE-RKTXRCNFSA-N 1 2 343.858 3.630 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245879705 1123968446 /nfs/dbraw/zinc/96/84/46/1123968446.db2.gz HZRIDXHJAQBVTA-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245879705 1123968448 /nfs/dbraw/zinc/96/84/48/1123968448.db2.gz HZRIDXHJAQBVTA-FRRDWIJNSA-N 1 2 339.277 3.754 20 0 EHADLO Cc1[nH+]c(NCc2ccc3c(c2)CCCO3)ccc1-c1cnn(C)c1 ZINC000922148992 1129158999 /nfs/dbraw/zinc/15/89/99/1129158999.db2.gz JIVVABGGJSOLHA-UHFFFAOYSA-N 1 2 334.423 3.728 20 0 EHADLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(-c2ccccn2)n1 ZINC000068692986 1124001193 /nfs/dbraw/zinc/00/11/93/1124001193.db2.gz LVYSKNIPGUJKSV-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000616727964 1124027559 /nfs/dbraw/zinc/02/75/59/1124027559.db2.gz GXYYHCDHBXXESO-UHFFFAOYSA-N 1 2 337.419 3.778 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000616727964 1124027563 /nfs/dbraw/zinc/02/75/63/1124027563.db2.gz GXYYHCDHBXXESO-UHFFFAOYSA-N 1 2 337.419 3.778 20 0 EHADLO C[C@H]1C[NH+](Cc2ccc(N(C)c3ccccc3)cc2)C[C@H](C)S1=O ZINC000616741638 1124029117 /nfs/dbraw/zinc/02/91/17/1124029117.db2.gz XUVYAPQUVVXIJU-IRXDYDNUSA-N 1 2 342.508 3.796 20 0 EHADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000180645486 1124037322 /nfs/dbraw/zinc/03/73/22/1124037322.db2.gz KSMJETUHKNMIGH-DYVFJYSZSA-N 1 2 344.459 3.635 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000353389204 1124057097 /nfs/dbraw/zinc/05/70/97/1124057097.db2.gz UKIASPGHDOQSJP-DYVFJYSZSA-N 1 2 331.485 3.876 20 0 EHADLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1Cl ZINC000180772185 1124066869 /nfs/dbraw/zinc/06/68/69/1124066869.db2.gz OYVPVSKNCWUXFK-FNORWQNLSA-N 1 2 327.727 3.792 20 0 EHADLO CCCCC[C@@H](CC)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000180811642 1124081139 /nfs/dbraw/zinc/08/11/39/1124081139.db2.gz FPDOPGGPVAVKFB-ZWKOTPCHSA-N 1 2 331.504 3.893 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000246432409 1124465410 /nfs/dbraw/zinc/46/54/10/1124465410.db2.gz CQICLNOCSIRQBJ-KPFFTGBYSA-N 1 2 337.467 3.754 20 0 EHADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000825276977 1131261716 /nfs/dbraw/zinc/26/17/16/1131261716.db2.gz KNSCQIMNRUXVPH-GOSISDBHSA-N 1 2 336.439 3.953 20 0 EHADLO c1ccc(-n2nc(C[N@@H+]3CCOC4(CCCC4)C3)c3c2CCC3)cc1 ZINC000139718143 1124541874 /nfs/dbraw/zinc/54/18/74/1124541874.db2.gz ASMBQRHSUFMKSW-UHFFFAOYSA-N 1 2 337.467 3.506 20 0 EHADLO c1ccc(-n2nc(C[N@H+]3CCOC4(CCCC4)C3)c3c2CCC3)cc1 ZINC000139718143 1124541877 /nfs/dbraw/zinc/54/18/77/1124541877.db2.gz ASMBQRHSUFMKSW-UHFFFAOYSA-N 1 2 337.467 3.506 20 0 EHADLO O=C(Oc1cccc2c1CCCC2=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181174945 1124625094 /nfs/dbraw/zinc/62/50/94/1124625094.db2.gz ARTLQOBTVURNMZ-UHFFFAOYSA-N 1 2 332.359 3.611 20 0 EHADLO C[C@H]1C[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H](C)C1 ZINC000248586338 1124676854 /nfs/dbraw/zinc/67/68/54/1124676854.db2.gz RAFYDNZUUAEDRT-DZFIZOCASA-N 1 2 339.483 3.662 20 0 EHADLO CCCCCCOc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1 ZINC000763489750 1124682336 /nfs/dbraw/zinc/68/23/36/1124682336.db2.gz IADHENPOEPPCEI-SBUREZEXSA-N 1 2 337.529 3.989 20 0 EHADLO CCCCCCOc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1 ZINC000763489750 1124682340 /nfs/dbraw/zinc/68/23/40/1124682340.db2.gz IADHENPOEPPCEI-SBUREZEXSA-N 1 2 337.529 3.989 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734812418 1131279547 /nfs/dbraw/zinc/27/95/47/1131279547.db2.gz OERAYLQBCMBXRY-SJLPKXTDSA-N 1 2 327.472 3.916 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000249037680 1124728704 /nfs/dbraw/zinc/72/87/04/1124728704.db2.gz GJBQCVJMVDOKJK-WCQYABFASA-N 1 2 336.482 3.503 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000249037680 1124728709 /nfs/dbraw/zinc/72/87/09/1124728709.db2.gz GJBQCVJMVDOKJK-WCQYABFASA-N 1 2 336.482 3.503 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000249125281 1124740076 /nfs/dbraw/zinc/74/00/76/1124740076.db2.gz UBVJWMYZDMETQU-GXFFZTMASA-N 1 2 347.789 3.572 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000249125281 1124740082 /nfs/dbraw/zinc/74/00/82/1124740082.db2.gz UBVJWMYZDMETQU-GXFFZTMASA-N 1 2 347.789 3.572 20 0 EHADLO CC[C@@H](C[N@H+](CC)[C@@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000249462983 1124757469 /nfs/dbraw/zinc/75/74/69/1124757469.db2.gz RJRDEIFKUOPOSO-QFBILLFUSA-N 1 2 326.440 3.811 20 0 EHADLO CC[C@@H](C[N@@H+](CC)[C@@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000249462983 1124757477 /nfs/dbraw/zinc/75/74/77/1124757477.db2.gz RJRDEIFKUOPOSO-QFBILLFUSA-N 1 2 326.440 3.811 20 0 EHADLO Cc1cc(NC[C@@H](O)c2ccc(OC(C)C)cc2)nc(C2CC2)[nH+]1 ZINC000734833773 1131284515 /nfs/dbraw/zinc/28/45/15/1131284515.db2.gz ZBRZQLXXGDVRQB-QGZVFWFLSA-N 1 2 327.428 3.595 20 0 EHADLO Cc1cc(NC[C@H](O)c2cccc(OC(C)C)c2)nc(C2CC2)[nH+]1 ZINC000735075540 1131307615 /nfs/dbraw/zinc/30/76/15/1131307615.db2.gz AWIIUPSYUNVDKV-KRWDZBQOSA-N 1 2 327.428 3.595 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccnc(OC2CCC2)c1 ZINC000089569890 1124820930 /nfs/dbraw/zinc/82/09/30/1124820930.db2.gz OLBKEOBQKWYRMG-UHFFFAOYSA-N 1 2 334.379 3.655 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1F ZINC000090394424 1124908117 /nfs/dbraw/zinc/90/81/17/1124908117.db2.gz SKJAWRKSMRKHBB-UHFFFAOYSA-N 1 2 349.431 3.529 20 0 EHADLO CCN(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056815 1124952221 /nfs/dbraw/zinc/95/22/21/1124952221.db2.gz VPYUBEHPWFHHCX-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO CCN(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056815 1124952226 /nfs/dbraw/zinc/95/22/26/1124952226.db2.gz VPYUBEHPWFHHCX-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1cc(NC(=O)c2ccc3ccc(Br)cc3c2)cc[nH+]1 ZINC001127644742 1125003631 /nfs/dbraw/zinc/00/36/31/1125003631.db2.gz JJYZLHNHWSINHY-UHFFFAOYSA-N 1 2 341.208 3.980 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+]Cc1occc1Br ZINC000735324899 1131332294 /nfs/dbraw/zinc/33/22/94/1131332294.db2.gz XZKCEGACXNTIGX-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO CC[N@H+](CC(=O)NCC[C@]1(C)CC1(F)F)Cc1ccccc1Cl ZINC000618637060 1125141745 /nfs/dbraw/zinc/14/17/45/1125141745.db2.gz ZKQSKMNQABOHMX-MRXNPFEDSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NCC[C@]1(C)CC1(F)F)Cc1ccccc1Cl ZINC000618637060 1125141748 /nfs/dbraw/zinc/14/17/48/1125141748.db2.gz ZKQSKMNQABOHMX-MRXNPFEDSA-N 1 2 344.833 3.714 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000888297521 1125152523 /nfs/dbraw/zinc/15/25/23/1125152523.db2.gz GRWRBHGVQJPCJW-JTQLQIEISA-N 1 2 346.481 3.717 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000888297521 1125152527 /nfs/dbraw/zinc/15/25/27/1125152527.db2.gz GRWRBHGVQJPCJW-JTQLQIEISA-N 1 2 346.481 3.717 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H](CCF)C1 ZINC000618697221 1125168117 /nfs/dbraw/zinc/16/81/17/1125168117.db2.gz ATFYCRSPKBHUOP-WBVHZDCISA-N 1 2 329.419 3.530 20 0 EHADLO C[N@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512565 1125264588 /nfs/dbraw/zinc/26/45/88/1125264588.db2.gz USLLEVGRCRZUSO-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO C[N@@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512565 1125264591 /nfs/dbraw/zinc/26/45/91/1125264591.db2.gz USLLEVGRCRZUSO-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO O=C(Oc1cc(Cl)ccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000735454217 1131344054 /nfs/dbraw/zinc/34/40/54/1131344054.db2.gz LHHVSFQJLOCTEW-UHFFFAOYSA-N 1 2 330.746 3.943 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619126644 1125284458 /nfs/dbraw/zinc/28/44/58/1125284458.db2.gz JTXSXDCZAOZEOS-UHFFFAOYSA-N 1 2 345.287 3.512 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619126644 1125284461 /nfs/dbraw/zinc/28/44/61/1125284461.db2.gz JTXSXDCZAOZEOS-UHFFFAOYSA-N 1 2 345.287 3.512 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000619135114 1125294141 /nfs/dbraw/zinc/29/41/41/1125294141.db2.gz HOXZUZZYUUXMNP-DGCLKSJQSA-N 1 2 335.398 3.660 20 0 EHADLO O=C(/C=C\c1ccc(Cl)nc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000254973304 1125357263 /nfs/dbraw/zinc/35/72/63/1125357263.db2.gz PMYVASDQRCAQEZ-KXFIGUGUSA-N 1 2 342.761 3.712 20 0 EHADLO Cc1cccc(C2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCCC2)c1 ZINC000649678431 1125370534 /nfs/dbraw/zinc/37/05/34/1125370534.db2.gz DRBUGTFFFHXMPM-QGZVFWFLSA-N 1 2 325.456 3.771 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152712137 1125372511 /nfs/dbraw/zinc/37/25/11/1125372511.db2.gz DGNBZZKTRYYXQR-ROUUACIJSA-N 1 2 329.488 3.629 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953194 1125442942 /nfs/dbraw/zinc/44/29/42/1125442942.db2.gz OTHVBFDIQARJNJ-JKIFEVAISA-N 1 2 338.879 3.721 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619953194 1125442943 /nfs/dbraw/zinc/44/29/43/1125442943.db2.gz OTHVBFDIQARJNJ-JKIFEVAISA-N 1 2 338.879 3.721 20 0 EHADLO CC(C)(c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1)C(F)(F)F ZINC000357193105 1129180539 /nfs/dbraw/zinc/18/05/39/1129180539.db2.gz SVFFHIIFMXZQIP-UHFFFAOYSA-N 1 2 325.334 3.821 20 0 EHADLO CC(C)(c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1)C(F)(F)F ZINC000357193105 1129180540 /nfs/dbraw/zinc/18/05/40/1129180540.db2.gz SVFFHIIFMXZQIP-UHFFFAOYSA-N 1 2 325.334 3.821 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1C ZINC000466087295 1129180623 /nfs/dbraw/zinc/18/06/23/1129180623.db2.gz QXKHYLXWPSSLDH-IAGOWNOFSA-N 1 2 345.487 3.817 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000682534694 1129220097 /nfs/dbraw/zinc/22/00/97/1129220097.db2.gz VOPMNBFZCPTAKV-UAFMIMERSA-N 1 2 349.478 3.630 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178378256 1131359130 /nfs/dbraw/zinc/35/91/30/1131359130.db2.gz UJHAFXHACDVRNG-UHFFFAOYSA-N 1 2 339.782 3.972 20 0 EHADLO Cc1ccnc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000683004092 1129254879 /nfs/dbraw/zinc/25/48/79/1129254879.db2.gz JFAUZOPLAZADCS-QWRGUYRKSA-N 1 2 326.284 3.953 20 0 EHADLO O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000115329805 1129258617 /nfs/dbraw/zinc/25/86/17/1129258617.db2.gz KCYYSZSVOHFEEY-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000115489332 1129268775 /nfs/dbraw/zinc/26/87/75/1129268775.db2.gz PAVAOMJCYZVSCT-IRXDYDNUSA-N 1 2 325.456 3.878 20 0 EHADLO C[C@H](Oc1ccccc1NC(=O)CCCn1cc[nH+]c1)C(F)(F)F ZINC000673323970 1129292238 /nfs/dbraw/zinc/29/22/38/1129292238.db2.gz IDUGAEBHCOLIMQ-LBPRGKRZSA-N 1 2 341.333 3.632 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466217636 1129309334 /nfs/dbraw/zinc/30/93/34/1129309334.db2.gz LNUVGMZIMXVENP-AEFFLSMTSA-N 1 2 340.471 3.983 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 ZINC000425706193 1129333119 /nfs/dbraw/zinc/33/31/19/1129333119.db2.gz UUDRNOLTTRGNNX-GFCCVEGCSA-N 1 2 334.370 3.769 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000068523723 1129377524 /nfs/dbraw/zinc/37/75/24/1129377524.db2.gz KNHSLYOMVLLBIX-UHFFFAOYSA-N 1 2 349.356 3.843 20 0 EHADLO CC(C)OCc1c2ccccc2oc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922236878 1129388062 /nfs/dbraw/zinc/38/80/62/1129388062.db2.gz UACPYAKBERNAFX-UHFFFAOYSA-N 1 2 340.379 3.692 20 0 EHADLO OC[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc(Cl)c1Cl ZINC000922260642 1129408714 /nfs/dbraw/zinc/40/87/14/1129408714.db2.gz LAVIWWLXSIWQDP-HNNXBMFYSA-N 1 2 340.254 3.738 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316992 1129413032 /nfs/dbraw/zinc/41/30/32/1129413032.db2.gz NCDHTBGGGFROOE-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000117476856 1129446124 /nfs/dbraw/zinc/44/61/24/1129446124.db2.gz LOXRAHXKGYPRSK-KRWDZBQOSA-N 1 2 340.471 3.653 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccn(C(F)F)n1)CCC2 ZINC000347707903 1129461636 /nfs/dbraw/zinc/46/16/36/1129461636.db2.gz RPLKXHREXNAKEU-LBPRGKRZSA-N 1 2 326.416 3.807 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccn(C(F)F)n1)CCC2 ZINC000347707903 1129461638 /nfs/dbraw/zinc/46/16/38/1129461638.db2.gz RPLKXHREXNAKEU-LBPRGKRZSA-N 1 2 326.416 3.807 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccn(C(F)F)n2)ccc1SC ZINC000347712659 1129469328 /nfs/dbraw/zinc/46/93/28/1129469328.db2.gz YRLMDBYSZLFXJD-UHFFFAOYSA-N 1 2 327.400 3.641 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccn(C(F)F)n2)ccc1SC ZINC000347712659 1129469331 /nfs/dbraw/zinc/46/93/31/1129469331.db2.gz YRLMDBYSZLFXJD-UHFFFAOYSA-N 1 2 327.400 3.641 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2cc(F)ccc2o1 ZINC000117971423 1129480599 /nfs/dbraw/zinc/48/05/99/1129480599.db2.gz VPVGJEYEACVCLT-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO CCCCn1nc(C)c(C[NH2+]Cc2nc3c(s2)CCC3)c1Cl ZINC000922470082 1129540395 /nfs/dbraw/zinc/54/03/95/1129540395.db2.gz LKPLWBXZJKSPFH-UHFFFAOYSA-N 1 2 338.908 3.880 20 0 EHADLO CC[C@@H](C(=O)OCc1ccc[nH+]c1N)c1cccc(C(F)(F)F)c1 ZINC000922514983 1129559388 /nfs/dbraw/zinc/55/93/88/1129559388.db2.gz JIGWHIJUAHUPJQ-CQSZACIVSA-N 1 2 338.329 3.920 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922524243 1129561927 /nfs/dbraw/zinc/56/19/27/1129561927.db2.gz CETTZUSXBCEAGD-YLJYHZDGSA-N 1 2 337.398 3.947 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)o1 ZINC000922522681 1129561988 /nfs/dbraw/zinc/56/19/88/1129561988.db2.gz WQVGXRJDVYGOOI-DNVCBOLYSA-N 1 2 341.386 3.550 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922584216 1129583024 /nfs/dbraw/zinc/58/30/24/1129583024.db2.gz DZTBZCGQQHSLLK-MRXNPFEDSA-N 1 2 333.229 3.791 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499945051 1129585671 /nfs/dbraw/zinc/58/56/71/1129585671.db2.gz KIDKYSKATHXYGZ-AWEZNQCLSA-N 1 2 344.213 3.964 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624936803 1129605356 /nfs/dbraw/zinc/60/53/56/1129605356.db2.gz JWTWINRCIAHIBN-UHFFFAOYSA-N 1 2 335.407 3.998 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1cc(C)ccc1OC(F)F)C1CCC1 ZINC000428959025 1129639241 /nfs/dbraw/zinc/63/92/41/1129639241.db2.gz WWCCWQPSSKMBJM-GFCCVEGCSA-N 1 2 327.371 3.512 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CCC1 ZINC000428959025 1129639246 /nfs/dbraw/zinc/63/92/46/1129639246.db2.gz WWCCWQPSSKMBJM-GFCCVEGCSA-N 1 2 327.371 3.512 20 0 EHADLO Clc1cccc2c1C[C@H]([NH+]1CC3(CCN3Cc3ccccc3)C1)C2 ZINC001168733501 1129642233 /nfs/dbraw/zinc/64/22/33/1129642233.db2.gz AZIBUGMPNOPDOU-GOSISDBHSA-N 1 2 338.882 3.768 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000922803506 1129673813 /nfs/dbraw/zinc/67/38/13/1129673813.db2.gz YCBGPBQJPZDHEC-MRXNPFEDSA-N 1 2 338.455 3.737 20 0 EHADLO Cc1cc(Br)cn2c(CN[C@H]3CCCC3(F)F)c[nH+]c12 ZINC000673618550 1129674484 /nfs/dbraw/zinc/67/44/84/1129674484.db2.gz QCTNBGDVXJIBTL-LBPRGKRZSA-N 1 2 344.203 3.683 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCCc3cccnc32)sc1Br ZINC000922877856 1129700674 /nfs/dbraw/zinc/70/06/74/1129700674.db2.gz OACQFQADQSPPSB-LLVKDONJSA-N 1 2 338.274 3.776 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000347765737 1129700697 /nfs/dbraw/zinc/70/06/97/1129700697.db2.gz RMSFPXJXDGBAEP-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000625078825 1129723926 /nfs/dbraw/zinc/72/39/26/1129723926.db2.gz CFNMVDFVZGEXHR-CYBMUJFWSA-N 1 2 334.407 3.686 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000625078825 1129723928 /nfs/dbraw/zinc/72/39/28/1129723928.db2.gz CFNMVDFVZGEXHR-CYBMUJFWSA-N 1 2 334.407 3.686 20 0 EHADLO Cc1cscc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282411770 1129727507 /nfs/dbraw/zinc/72/75/07/1129727507.db2.gz SQJVUKHQXNGRFG-CQSZACIVSA-N 1 2 329.469 3.609 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625224254 1129769428 /nfs/dbraw/zinc/76/94/28/1129769428.db2.gz GSANNKWSCNNRSL-UHFFFAOYSA-N 1 2 332.419 3.769 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)no1 ZINC000282420387 1129771856 /nfs/dbraw/zinc/77/18/56/1129771856.db2.gz CSQAMJMSUYCFDA-GWCFXTLKSA-N 1 2 337.217 3.920 20 0 EHADLO CCC[C@H](C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673725998 1129812828 /nfs/dbraw/zinc/81/28/28/1129812828.db2.gz HJZDIZUBEWOZFO-IBGZPJMESA-N 1 2 335.451 3.885 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC000509137578 1129834086 /nfs/dbraw/zinc/83/40/86/1129834086.db2.gz KLUNHTKAUJZGRF-GOSISDBHSA-N 1 2 342.487 3.877 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000455225528 1129838954 /nfs/dbraw/zinc/83/89/54/1129838954.db2.gz QVWZVKJGMVZLGH-IKGGRYGDSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(Cc3ccccc3)C3CC3)[nH+]c12 ZINC000673775954 1129844876 /nfs/dbraw/zinc/84/48/76/1129844876.db2.gz DQFAZUDTSVCNRT-UHFFFAOYSA-N 1 2 348.450 3.559 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)C1(Cc2cccc(F)c2)CCC1 ZINC000186835685 1129854751 /nfs/dbraw/zinc/85/47/51/1129854751.db2.gz KNOLYHKFAZBYBP-UHFFFAOYSA-N 1 2 333.794 3.730 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(CN3CCc4[nH+]c[nH]c4C3)co2)cc1 ZINC000625435000 1129874291 /nfs/dbraw/zinc/87/42/91/1129874291.db2.gz CNJIGNVGIUZPMS-UHFFFAOYSA-N 1 2 348.328 3.642 20 0 EHADLO C[C@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000673843123 1129883725 /nfs/dbraw/zinc/88/37/25/1129883725.db2.gz ZMZFGMZHFTZGGD-MRXNPFEDSA-N 1 2 335.451 3.766 20 0 EHADLO Fc1cccc(-n2ccc(COc3ccccc3-n3cc[nH+]c3)n2)c1 ZINC000673897796 1129898486 /nfs/dbraw/zinc/89/84/86/1129898486.db2.gz NYXQGPXXPMFIGX-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@@H]2CCCc3ccccc32)cs1 ZINC000543505278 1129907055 /nfs/dbraw/zinc/90/70/55/1129907055.db2.gz OJJPUVWWOGUQRK-CZUORRHYSA-N 1 2 343.496 3.550 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009775 1129956363 /nfs/dbraw/zinc/95/63/63/1129956363.db2.gz LKENQXHGCFXDKU-KXBFYZLASA-N 1 2 330.447 3.968 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009775 1129956366 /nfs/dbraw/zinc/95/63/66/1129956366.db2.gz LKENQXHGCFXDKU-KXBFYZLASA-N 1 2 330.447 3.968 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013528 1129959730 /nfs/dbraw/zinc/95/97/30/1129959730.db2.gz OMSYMAQPQVBBSU-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013528 1129959733 /nfs/dbraw/zinc/95/97/33/1129959733.db2.gz OMSYMAQPQVBBSU-KUHUBIRLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646907 1129964937 /nfs/dbraw/zinc/96/49/37/1129964937.db2.gz CNXGQWIEPZJZHX-MJBXVCDLSA-N 1 2 335.398 3.945 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646907 1129964940 /nfs/dbraw/zinc/96/49/40/1129964940.db2.gz CNXGQWIEPZJZHX-MJBXVCDLSA-N 1 2 335.398 3.945 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C[C@H](C)C1(F)F ZINC000625652426 1129969056 /nfs/dbraw/zinc/96/90/56/1129969056.db2.gz JNMJLKVEVZQFNX-TXEJJXNPSA-N 1 2 339.361 3.523 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C[C@H](C)C1(F)F ZINC000625652426 1129969059 /nfs/dbraw/zinc/96/90/59/1129969059.db2.gz JNMJLKVEVZQFNX-TXEJJXNPSA-N 1 2 339.361 3.523 20 0 EHADLO CCN(C(=O)C[N@H+](Cc1ccccc1OC)C1CC1)c1ccccc1 ZINC000059389994 1129985296 /nfs/dbraw/zinc/98/52/96/1129985296.db2.gz NADWZMATQKVIRI-UHFFFAOYSA-N 1 2 338.451 3.713 20 0 EHADLO CCN(C(=O)C[N@@H+](Cc1ccccc1OC)C1CC1)c1ccccc1 ZINC000059389994 1129985298 /nfs/dbraw/zinc/98/52/98/1129985298.db2.gz NADWZMATQKVIRI-UHFFFAOYSA-N 1 2 338.451 3.713 20 0 EHADLO Cc1cc(C(=O)NCCCNc2cccc[nH+]2)cc(C)c1OC(F)F ZINC000736194948 1131412176 /nfs/dbraw/zinc/41/21/76/1131412176.db2.gz HAGJCTFJVQVGKK-UHFFFAOYSA-N 1 2 349.381 3.532 20 0 EHADLO Cc1cc(C)cc(OCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000674063139 1129995610 /nfs/dbraw/zinc/99/56/10/1129995610.db2.gz BCJSXRGXSVARPW-UHFFFAOYSA-N 1 2 340.467 3.627 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221912 1130011160 /nfs/dbraw/zinc/01/11/60/1130011160.db2.gz SZPIXQKZPOEAFD-WMLDXEAASA-N 1 2 349.906 3.609 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000171381445 1130050699 /nfs/dbraw/zinc/05/06/99/1130050699.db2.gz KGZHWETTZMPZLM-SFHVURJKSA-N 1 2 339.414 3.952 20 0 EHADLO CCOc1ccccc1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172109587 1130106913 /nfs/dbraw/zinc/10/69/13/1130106913.db2.gz ARAWHPXPIRTQNP-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172513618 1130141672 /nfs/dbraw/zinc/14/16/72/1130141672.db2.gz ATDMMOSSPGUMDU-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CC(C)([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)Nc1ccccc1 ZINC000674718116 1130181137 /nfs/dbraw/zinc/18/11/37/1130181137.db2.gz XZCCESUWVZSASG-UHFFFAOYSA-N 1 2 335.407 3.849 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001212526513 1130234224 /nfs/dbraw/zinc/23/42/24/1130234224.db2.gz IOIVPYSTERNFPK-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO CC[C@@H]1CC[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC001128940358 1130243508 /nfs/dbraw/zinc/24/35/08/1130243508.db2.gz VZTMETAXDXYLIJ-SJLPKXTDSA-N 1 2 340.423 3.749 20 0 EHADLO Cc1cccn2cc(CCNc3ncc(Br)cc3C)[nH+]c12 ZINC000675153542 1130265049 /nfs/dbraw/zinc/26/50/49/1130265049.db2.gz OTOAEOILJMOUST-UHFFFAOYSA-N 1 2 345.244 3.763 20 0 EHADLO Cc1cccc(C2(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CCC2)c1 ZINC000675258008 1130298713 /nfs/dbraw/zinc/29/87/13/1130298713.db2.gz PBYCXQVKUGPXMP-MJGOQNOKSA-N 1 2 337.467 3.723 20 0 EHADLO Cc1cccc(C2(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CCC2)c1 ZINC000675258005 1130299253 /nfs/dbraw/zinc/29/92/53/1130299253.db2.gz PBYCXQVKUGPXMP-IEBWSBKVSA-N 1 2 337.467 3.723 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000173786384 1130311603 /nfs/dbraw/zinc/31/16/03/1130311603.db2.gz GRWFYRUQMHGNBD-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CCc1oc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000675460930 1130387343 /nfs/dbraw/zinc/38/73/43/1130387343.db2.gz YAYNGSAHZUXHIG-MRXNPFEDSA-N 1 2 337.423 3.598 20 0 EHADLO CCc1cc(Br)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000675666043 1130446796 /nfs/dbraw/zinc/44/67/96/1130446796.db2.gz AVGVCTVIRBSFDF-UHFFFAOYSA-N 1 2 336.233 3.627 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccco2)s1 ZINC000675737709 1130460615 /nfs/dbraw/zinc/46/06/15/1130460615.db2.gz HFJHMAKBMSFKED-UHFFFAOYSA-N 1 2 341.436 3.513 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000676051640 1130519780 /nfs/dbraw/zinc/51/97/80/1130519780.db2.gz ATFIPZYYSIRKJA-KRWDZBQOSA-N 1 2 337.423 3.598 20 0 EHADLO COc1ccc(-c2nc(CNc3ccc(N(C)C)c[nH+]3)cs2)cc1 ZINC000676200580 1130546971 /nfs/dbraw/zinc/54/69/71/1130546971.db2.gz YJJVMYAMWKBNOP-UHFFFAOYSA-N 1 2 340.452 3.892 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000676305464 1130560615 /nfs/dbraw/zinc/56/06/15/1130560615.db2.gz LGSVPQZLWADMSU-MAUKXSAKSA-N 1 2 338.455 3.652 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000535317277 1130590412 /nfs/dbraw/zinc/59/04/12/1130590412.db2.gz HONXHZWWUQCRLR-QGZVFWFLSA-N 1 2 349.459 3.727 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000535317277 1130590416 /nfs/dbraw/zinc/59/04/16/1130590416.db2.gz HONXHZWWUQCRLR-QGZVFWFLSA-N 1 2 349.459 3.727 20 0 EHADLO COc1cc(F)c([C@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1OC ZINC000536840621 1130594884 /nfs/dbraw/zinc/59/48/84/1130594884.db2.gz PHNHAZGFJVCLPA-SCLBCKFNSA-N 1 2 344.430 3.680 20 0 EHADLO COc1cc(F)c([C@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1OC ZINC000536840621 1130594888 /nfs/dbraw/zinc/59/48/88/1130594888.db2.gz PHNHAZGFJVCLPA-SCLBCKFNSA-N 1 2 344.430 3.680 20 0 EHADLO CCc1cc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)nc(C)[nH+]1 ZINC000289102580 1130634267 /nfs/dbraw/zinc/63/42/67/1130634267.db2.gz PRUCWMJXGBYPFB-HNNXBMFYSA-N 1 2 327.432 3.730 20 0 EHADLO CC(C)c1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)on1 ZINC000169258125 1130637099 /nfs/dbraw/zinc/63/70/99/1130637099.db2.gz MTEUSKPIAYGJBT-GFCCVEGCSA-N 1 2 345.834 3.883 20 0 EHADLO OC1(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCCC1 ZINC000730081657 1130670884 /nfs/dbraw/zinc/67/08/84/1130670884.db2.gz VJZOTUUJRUUNJV-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO OC1(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCCC1 ZINC000730081657 1130670888 /nfs/dbraw/zinc/67/08/88/1130670888.db2.gz VJZOTUUJRUUNJV-INIZCTEOSA-N 1 2 327.827 3.548 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3ccccc3[C@H]2C)c1C ZINC000730125419 1130677301 /nfs/dbraw/zinc/67/73/01/1130677301.db2.gz LDABDRQTKZFMED-OAHLLOKOSA-N 1 2 339.439 3.536 20 0 EHADLO COc1ccc(COCCO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000731028944 1130759477 /nfs/dbraw/zinc/75/94/77/1130759477.db2.gz KNDTZMLOTNYVTO-UHFFFAOYSA-N 1 2 348.830 3.606 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(F)c(Br)c1 ZINC000731028993 1130759935 /nfs/dbraw/zinc/75/99/35/1130759935.db2.gz MCLGXNSHYCBBRG-UHFFFAOYSA-N 1 2 343.221 3.891 20 0 EHADLO C[C@H](c1ccncc1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000732196738 1130892339 /nfs/dbraw/zinc/89/23/39/1130892339.db2.gz QFQBOHOUKZKFJD-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](c3ccco3)C2)nc1-c1ccccc1 ZINC000732182988 1130894544 /nfs/dbraw/zinc/89/45/44/1130894544.db2.gz KPLBVUKGCZVTRP-HNNXBMFYSA-N 1 2 340.452 3.658 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](c3ccco3)C2)nc1-c1ccccc1 ZINC000732182988 1130894551 /nfs/dbraw/zinc/89/45/51/1130894551.db2.gz KPLBVUKGCZVTRP-HNNXBMFYSA-N 1 2 340.452 3.658 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1C ZINC000732209578 1130897353 /nfs/dbraw/zinc/89/73/53/1130897353.db2.gz NFLLXSRGJSEVAP-SPYBWZPUSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1oc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1C ZINC000732209578 1130897360 /nfs/dbraw/zinc/89/73/60/1130897360.db2.gz NFLLXSRGJSEVAP-SPYBWZPUSA-N 1 2 343.423 3.725 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732755742 1130954136 /nfs/dbraw/zinc/95/41/36/1130954136.db2.gz VZNVWDUWTHMSFI-MSOLQXFVSA-N 1 2 327.472 3.683 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000732980381 1130977207 /nfs/dbraw/zinc/97/72/07/1130977207.db2.gz JDHGHEWKKJSPIK-MRXNPFEDSA-N 1 2 344.361 3.976 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000732980381 1130977213 /nfs/dbraw/zinc/97/72/13/1130977213.db2.gz JDHGHEWKKJSPIK-MRXNPFEDSA-N 1 2 344.361 3.976 20 0 EHADLO CCOc1cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)ccc1C ZINC000733255491 1131012642 /nfs/dbraw/zinc/01/26/42/1131012642.db2.gz ZYVHIUVWTNMKEI-UHFFFAOYSA-N 1 2 347.484 3.944 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000733309524 1131021072 /nfs/dbraw/zinc/02/10/72/1131021072.db2.gz SBPHKJHUQCRFMB-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000733309524 1131021078 /nfs/dbraw/zinc/02/10/78/1131021078.db2.gz SBPHKJHUQCRFMB-HNNXBMFYSA-N 1 2 328.412 3.906 20 0 EHADLO O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000733880832 1131089636 /nfs/dbraw/zinc/08/96/36/1131089636.db2.gz JOJWKFYXSGPZEK-VMPITWQZSA-N 1 2 347.296 3.885 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(-c2cccs2)no1)c1c(C)nn(C)c1C ZINC000348049895 1131129247 /nfs/dbraw/zinc/12/92/47/1131129247.db2.gz QPVAKRMBWJPPHX-DGCLKSJQSA-N 1 2 345.472 3.950 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348054108 1131130469 /nfs/dbraw/zinc/13/04/69/1131130469.db2.gz UVZCTBDRMFEMMC-DGCLKSJQSA-N 1 2 345.472 3.950 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000738019069 1131459290 /nfs/dbraw/zinc/45/92/90/1131459290.db2.gz RCAAADUAHUBXTE-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000738019069 1131459292 /nfs/dbraw/zinc/45/92/92/1131459292.db2.gz RCAAADUAHUBXTE-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000738310017 1131467364 /nfs/dbraw/zinc/46/73/64/1131467364.db2.gz UFUCHNNBDNAJSR-QGZVFWFLSA-N 1 2 330.403 3.636 20 0 EHADLO CCc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)[nH]n1 ZINC000738431685 1131470067 /nfs/dbraw/zinc/47/00/67/1131470067.db2.gz UHYZDOZLFUAZIC-UHFFFAOYSA-N 1 2 347.825 3.549 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc2cccnc21)c1ccccc1 ZINC000741150521 1131583662 /nfs/dbraw/zinc/58/36/62/1131583662.db2.gz HRTQGUKIBLMSKB-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc2cccnc21)c1ccccc1 ZINC000741150521 1131583667 /nfs/dbraw/zinc/58/36/67/1131583667.db2.gz HRTQGUKIBLMSKB-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1nc2ccccc2nc1C)c1ccccc1 ZINC000741150456 1131583899 /nfs/dbraw/zinc/58/38/99/1131583899.db2.gz GSGUEQGVQKHQIV-FQEVSTJZSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1nc2ccccc2nc1C)c1ccccc1 ZINC000741150456 1131583903 /nfs/dbraw/zinc/58/39/03/1131583903.db2.gz GSGUEQGVQKHQIV-FQEVSTJZSA-N 1 2 349.434 3.674 20 0 EHADLO C[C@H](OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356384 1131598705 /nfs/dbraw/zinc/59/87/05/1131598705.db2.gz QNUBJUJDKOKQHP-FXAWDEMLSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@H](OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356384 1131598707 /nfs/dbraw/zinc/59/87/07/1131598707.db2.gz QNUBJUJDKOKQHP-FXAWDEMLSA-N 1 2 339.435 3.582 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC2CCCCCCC2)c1C ZINC000065304110 1131602042 /nfs/dbraw/zinc/60/20/42/1131602042.db2.gz JJQXFDAHHURZFC-UHFFFAOYSA-N 1 2 333.476 3.867 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741777979 1131645983 /nfs/dbraw/zinc/64/59/83/1131645983.db2.gz GGWDRFFGZNMRLU-HNNXBMFYSA-N 1 2 346.377 3.812 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741777979 1131645986 /nfs/dbraw/zinc/64/59/86/1131645986.db2.gz GGWDRFFGZNMRLU-HNNXBMFYSA-N 1 2 346.377 3.812 20 0 EHADLO Cc1cccc(C2(O)CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)c1C ZINC000741808469 1131650165 /nfs/dbraw/zinc/65/01/65/1131650165.db2.gz KBDUJNQDMJQCKW-HNNXBMFYSA-N 1 2 341.455 3.608 20 0 EHADLO CCCCCC[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000741914603 1131667241 /nfs/dbraw/zinc/66/72/41/1131667241.db2.gz SYFVEOSDGRSFGR-SFHVURJKSA-N 1 2 345.531 3.979 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cc(C)nc3ccccc23)cc1 ZINC000742354135 1131707804 /nfs/dbraw/zinc/70/78/04/1131707804.db2.gz HWXBSTSXYVSZAH-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO CCCCc1noc([C@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000742358024 1131708674 /nfs/dbraw/zinc/70/86/74/1131708674.db2.gz XGOAXSRWVMNVKS-NSHDSACASA-N 1 2 336.823 3.868 20 0 EHADLO CC(C)COCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172469222 1131733161 /nfs/dbraw/zinc/73/31/61/1131733161.db2.gz AGEXXQLJWVYCTL-IAGOWNOFSA-N 1 2 349.519 3.638 20 0 EHADLO CC(C)COCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172469222 1131733164 /nfs/dbraw/zinc/73/31/64/1131733164.db2.gz AGEXXQLJWVYCTL-IAGOWNOFSA-N 1 2 349.519 3.638 20 0 EHADLO CC(C)COCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172469221 1131733413 /nfs/dbraw/zinc/73/34/13/1131733413.db2.gz AGEXXQLJWVYCTL-DLBZAZTESA-N 1 2 349.519 3.638 20 0 EHADLO CC(C)COCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001172469221 1131733421 /nfs/dbraw/zinc/73/34/21/1131733421.db2.gz AGEXXQLJWVYCTL-DLBZAZTESA-N 1 2 349.519 3.638 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccc(C)o3)CC2)s1 ZINC000742693499 1131774285 /nfs/dbraw/zinc/77/42/85/1131774285.db2.gz GDLOFRDGBOZQMG-OAHLLOKOSA-N 1 2 346.496 3.660 20 0 EHADLO Nc1cccc(N(c2ccccc2)c2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212671791 1131785083 /nfs/dbraw/zinc/78/50/83/1131785083.db2.gz WUKMQUPZPIEROY-UHFFFAOYSA-N 1 2 345.446 3.915 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000742857675 1131806984 /nfs/dbraw/zinc/80/69/84/1131806984.db2.gz HJGQRLVPTCVCBL-JZHDPFOFSA-N 1 2 349.409 3.673 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000180712725 1131822763 /nfs/dbraw/zinc/82/27/63/1131822763.db2.gz HJJMLYCTAJEBOK-QWRGUYRKSA-N 1 2 338.249 3.599 20 0 EHADLO Cc1nc([C@@H]2COCC[N@@H+]2[C@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834095 1131857683 /nfs/dbraw/zinc/85/76/83/1131857683.db2.gz RXAKWBAXQGUQLR-HKUYNNGSSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@@H]2COCC[N@H+]2[C@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834095 1131857691 /nfs/dbraw/zinc/85/76/91/1131857691.db2.gz RXAKWBAXQGUQLR-HKUYNNGSSA-N 1 2 328.481 3.691 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000743219766 1131877719 /nfs/dbraw/zinc/87/77/19/1131877719.db2.gz BVQORELQGYVQFT-GFCCVEGCSA-N 1 2 349.504 3.874 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000743356551 1131901221 /nfs/dbraw/zinc/90/12/21/1131901221.db2.gz SEADRWZLILHNQH-ZWKOTPCHSA-N 1 2 341.842 3.803 20 0 EHADLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000743356551 1131901224 /nfs/dbraw/zinc/90/12/24/1131901224.db2.gz SEADRWZLILHNQH-ZWKOTPCHSA-N 1 2 341.842 3.803 20 0 EHADLO CCC[C@]1(C)CCC[N@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000743407734 1131917427 /nfs/dbraw/zinc/91/74/27/1131917427.db2.gz UPAQJIUZPNKXJK-QGZVFWFLSA-N 1 2 339.553 3.921 20 0 EHADLO CCC[C@]1(C)CCC[N@@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000743407734 1131917432 /nfs/dbraw/zinc/91/74/32/1131917432.db2.gz UPAQJIUZPNKXJK-QGZVFWFLSA-N 1 2 339.553 3.921 20 0 EHADLO c1cn(Cc2ccc(Nc3cnc4c(C5CC5)cnn4c3)cc2)c[nH+]1 ZINC001212694946 1131924066 /nfs/dbraw/zinc/92/40/66/1131924066.db2.gz FOCDBSHWENXVMS-UHFFFAOYSA-N 1 2 330.395 3.595 20 0 EHADLO COC(=O)c1cc(F)cc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212700185 1131935123 /nfs/dbraw/zinc/93/51/23/1131935123.db2.gz XTEWRGWWENKKPX-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698021 1131936628 /nfs/dbraw/zinc/93/66/28/1131936628.db2.gz HQTDFVPPNZGRSB-UHFFFAOYSA-N 1 2 334.423 3.685 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000743564927 1131942436 /nfs/dbraw/zinc/94/24/36/1131942436.db2.gz MHNBJPBKQQYISS-HZPDHXFCSA-N 1 2 326.444 3.592 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1C ZINC000743575689 1131945309 /nfs/dbraw/zinc/94/53/09/1131945309.db2.gz WPAHFILYRKFGCH-RDTXWAMCSA-N 1 2 339.439 3.610 20 0 EHADLO CCC[C@@H]([NH2+][C@@H]1CCc2ncsc2C1)C(=O)OCc1ccccc1 ZINC001173127304 1131975355 /nfs/dbraw/zinc/97/53/55/1131975355.db2.gz XROZMTZJZASDMO-NVXWUHKLSA-N 1 2 344.480 3.502 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000743863480 1131999842 /nfs/dbraw/zinc/99/98/42/1131999842.db2.gz DJUVXKARCVZVGU-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000743863480 1131999849 /nfs/dbraw/zinc/99/98/49/1131999849.db2.gz DJUVXKARCVZVGU-LBPRGKRZSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000744435522 1132091134 /nfs/dbraw/zinc/09/11/34/1132091134.db2.gz WVJRLQBBDPGGCG-SJLPKXTDSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000744435522 1132091140 /nfs/dbraw/zinc/09/11/40/1132091140.db2.gz WVJRLQBBDPGGCG-SJLPKXTDSA-N 1 2 332.513 3.629 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2C[C@H](C)C[C@H]2CC)nc1-c1ccncc1 ZINC000744440823 1132099710 /nfs/dbraw/zinc/09/97/10/1132099710.db2.gz HZFYOERKXOCJFL-GDBMZVCRSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2C[C@H](C)C[C@H]2CC)nc1-c1ccncc1 ZINC000744440823 1132099717 /nfs/dbraw/zinc/09/97/17/1132099717.db2.gz HZFYOERKXOCJFL-GDBMZVCRSA-N 1 2 345.516 3.964 20 0 EHADLO COc1cc(Nc2ccccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC001173904167 1132168155 /nfs/dbraw/zinc/16/81/55/1132168155.db2.gz XUOLEMRUZFCWDB-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COC(=O)c1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001173962225 1132184208 /nfs/dbraw/zinc/18/42/08/1132184208.db2.gz JTJKKWQGQJYTHL-UHFFFAOYSA-N 1 2 346.184 3.627 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccoc3)c[nH+]2)C1 ZINC001173934301 1132188859 /nfs/dbraw/zinc/18/88/59/1132188859.db2.gz PYEXRZHYWLRQJE-CQSZACIVSA-N 1 2 344.415 3.522 20 0 EHADLO COc1ccc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2c1 ZINC001174030152 1132219264 /nfs/dbraw/zinc/21/92/64/1132219264.db2.gz FLKQRSFOJYNZIA-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO CCOc1ccc2cc(Nc3ccc(N4CC[C@H](O)C4)[nH+]c3)ccc2c1 ZINC001174106885 1132229293 /nfs/dbraw/zinc/22/92/93/1132229293.db2.gz DFOLYSHZKWNIRK-IBGZPJMESA-N 1 2 349.434 3.948 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001174186645 1132273487 /nfs/dbraw/zinc/27/34/87/1132273487.db2.gz LAUJLIUTKDKAPF-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ccc12 ZINC001174258604 1132303561 /nfs/dbraw/zinc/30/35/61/1132303561.db2.gz CTCOPJBWIXAPFS-UHFFFAOYSA-N 1 2 341.436 3.537 20 0 EHADLO CSc1ccc(OC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000745837793 1132324114 /nfs/dbraw/zinc/32/41/14/1132324114.db2.gz GCAQGJJVDWJXPC-GOSISDBHSA-N 1 2 327.449 3.979 20 0 EHADLO CSc1ccc(OC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000745837793 1132324122 /nfs/dbraw/zinc/32/41/22/1132324122.db2.gz GCAQGJJVDWJXPC-GOSISDBHSA-N 1 2 327.449 3.979 20 0 EHADLO Cc1nn(C[N@H+](Cc2ccccc2)CC(C)C)c(=O)c2ccccc12 ZINC000746061740 1132355747 /nfs/dbraw/zinc/35/57/47/1132355747.db2.gz HDYAFXMDJZOXBH-UHFFFAOYSA-N 1 2 335.451 3.821 20 0 EHADLO Cc1nn(C[N@@H+](Cc2ccccc2)CC(C)C)c(=O)c2ccccc12 ZINC000746061740 1132355754 /nfs/dbraw/zinc/35/57/54/1132355754.db2.gz HDYAFXMDJZOXBH-UHFFFAOYSA-N 1 2 335.451 3.821 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccn4cc(C)[nH+]c34)cn2)cc1 ZINC001174437753 1132355862 /nfs/dbraw/zinc/35/58/62/1132355862.db2.gz AACXIMREKWSJTR-UHFFFAOYSA-N 1 2 333.395 3.640 20 0 EHADLO CCn1cnn(C[N@@H+](Cc2cccc(OC)c2)CC(C)C)c1=S ZINC000746054088 1132358291 /nfs/dbraw/zinc/35/82/91/1132358291.db2.gz SFNAWWPHTPKZRK-UHFFFAOYSA-N 1 2 334.489 3.558 20 0 EHADLO CCn1cnn(C[N@H+](Cc2cccc(OC)c2)CC(C)C)c1=S ZINC000746054088 1132358299 /nfs/dbraw/zinc/35/82/99/1132358299.db2.gz SFNAWWPHTPKZRK-UHFFFAOYSA-N 1 2 334.489 3.558 20 0 EHADLO Brc1cc(Nc2ccnc3[nH]ccc32)c2[nH+]ccn2c1 ZINC001174408512 1132365198 /nfs/dbraw/zinc/36/51/98/1132365198.db2.gz MTMRLKIBCFANDC-UHFFFAOYSA-N 1 2 328.173 3.668 20 0 EHADLO CC(C)(C)OC(=O)NCc1cc(Nc2ccc3c[nH]nc3c2)cc[nH+]1 ZINC001174498569 1132373560 /nfs/dbraw/zinc/37/35/60/1132373560.db2.gz PGZOSTIHOWKHJH-UHFFFAOYSA-N 1 2 339.399 3.726 20 0 EHADLO COC(=O)c1c(F)cc(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523817 1132400136 /nfs/dbraw/zinc/40/01/36/1132400136.db2.gz SPVBUFKMBHXRPP-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO CCN1Cc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2C1=O ZINC001174522757 1132400663 /nfs/dbraw/zinc/40/06/63/1132400663.db2.gz ARPCKGVOXCMLJJ-UHFFFAOYSA-N 1 2 336.439 3.791 20 0 EHADLO Brc1cnsc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC001174630661 1132420621 /nfs/dbraw/zinc/42/06/21/1132420621.db2.gz HJYTYOMJZJHIIW-ZDUSSCGKSA-N 1 2 345.306 3.687 20 0 EHADLO Fc1cc(F)c(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976835 1132511042 /nfs/dbraw/zinc/51/10/42/1132511042.db2.gz DEQNMVQNAPITMS-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO CC(C)Oc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766398674 1132528879 /nfs/dbraw/zinc/52/88/79/1132528879.db2.gz JRVBTAFLVZCTIT-UHFFFAOYSA-N 1 2 339.443 3.981 20 0 EHADLO Clc1cnc2cccc(Nc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC001174979537 1132534487 /nfs/dbraw/zinc/53/44/87/1132534487.db2.gz OKSGUYGVISURKE-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC001174983782 1132534995 /nfs/dbraw/zinc/53/49/95/1132534995.db2.gz LAIHLZIOOIFETD-UXHICEINSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@@H]([N@H+]3CC(C)(C)[C@@H]3c3ccncc3)C2=O)cc1 ZINC001174983782 1132535001 /nfs/dbraw/zinc/53/50/01/1132535001.db2.gz LAIHLZIOOIFETD-UXHICEINSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1cc(Nc2[nH+]cccc2N2CCOCC2)ccc1OC(C)C ZINC001175192179 1132582905 /nfs/dbraw/zinc/58/29/05/1132582905.db2.gz JVKYOANDSNNEJY-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO Cc1ccc(C)c(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001175164732 1132587267 /nfs/dbraw/zinc/58/72/67/1132587267.db2.gz HFMQTUIZVHAPRR-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC001175229719 1132601841 /nfs/dbraw/zinc/60/18/41/1132601841.db2.gz TVGJFVIRQMGQSH-ZWNOBZJWSA-N 1 2 334.204 3.866 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC001175229719 1132601843 /nfs/dbraw/zinc/60/18/43/1132601843.db2.gz TVGJFVIRQMGQSH-ZWNOBZJWSA-N 1 2 334.204 3.866 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC001175284357 1132612346 /nfs/dbraw/zinc/61/23/46/1132612346.db2.gz JSOISEFFDBSTRS-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1noc(C)c1C[N@H+]1CCc2cc(C)cc(Br)c2C1 ZINC001175284357 1132612352 /nfs/dbraw/zinc/61/23/52/1132612352.db2.gz JSOISEFFDBSTRS-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000766560025 1132622026 /nfs/dbraw/zinc/62/20/26/1132622026.db2.gz QSUNDBOVESQZSI-NEPJUHHUSA-N 1 2 349.356 3.616 20 0 EHADLO CN(C)c1ccc(Nc2ccc(C(=O)OC(C)(C)C)c(F)c2)c[nH+]1 ZINC001175346649 1132629386 /nfs/dbraw/zinc/62/93/86/1132629386.db2.gz WDKMPXSDLBLPMI-UHFFFAOYSA-N 1 2 331.391 3.986 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@@H](Cc1ccccc1)CC(C)C ZINC001169058748 1132646282 /nfs/dbraw/zinc/64/62/82/1132646282.db2.gz KOBGNBUYACYWRW-MSOLQXFVSA-N 1 2 337.529 3.918 20 0 EHADLO C[C@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175481045 1132679413 /nfs/dbraw/zinc/67/94/13/1132679413.db2.gz CZNKQWDBKHCQBN-OAQYLSRUSA-N 1 2 337.467 3.986 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cc2cccc(F)c2o1 ZINC001169159732 1132682166 /nfs/dbraw/zinc/68/21/66/1132682166.db2.gz WVAAGDVRZCBWDF-UHFFFAOYSA-N 1 2 349.365 3.865 20 0 EHADLO Cc1cc(CNc2[nH+]cccc2-n2cccc2)ncc1Br ZINC001169203692 1132691104 /nfs/dbraw/zinc/69/11/04/1132691104.db2.gz OMVUHNPBKCPOGC-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CCc1cccc(Nc2ccc3cc(NS(C)(=O)=O)ccc3c2)[nH+]1 ZINC001175530164 1132700735 /nfs/dbraw/zinc/70/07/35/1132700735.db2.gz DHMVNNUOHWZOEQ-UHFFFAOYSA-N 1 2 341.436 3.912 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001169282779 1132714490 /nfs/dbraw/zinc/71/44/90/1132714490.db2.gz DRZWIMUDZMQIBO-MRXNPFEDSA-N 1 2 328.412 3.648 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001169282779 1132714494 /nfs/dbraw/zinc/71/44/94/1132714494.db2.gz DRZWIMUDZMQIBO-MRXNPFEDSA-N 1 2 328.412 3.648 20 0 EHADLO CSc1ncc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001175645206 1132721450 /nfs/dbraw/zinc/72/14/50/1132721450.db2.gz OINYZTZRYSXASO-UHFFFAOYSA-N 1 2 347.241 3.675 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@H]3C[C@@H](C)c4ccccc43)nc2[nH]1 ZINC001169364767 1132733478 /nfs/dbraw/zinc/73/34/78/1132733478.db2.gz MHXDZJCGQRTCNW-ABAIWWIYSA-N 1 2 336.395 3.747 20 0 EHADLO COc1ccc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2n1 ZINC001175717323 1132742802 /nfs/dbraw/zinc/74/28/02/1132742802.db2.gz RQZOCUXNSPEHHQ-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO Cc1nccc(Br)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706234 1132753678 /nfs/dbraw/zinc/75/36/78/1132753678.db2.gz MISDYZKDUQOCBQ-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cnc1Br ZINC001175709611 1132755783 /nfs/dbraw/zinc/75/57/83/1132755783.db2.gz GRZHLXQSZIDHFU-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2c(F)c(F)nc(F)c2Cl)c[nH+]1 ZINC001175710038 1132755930 /nfs/dbraw/zinc/75/59/30/1132755930.db2.gz QZCJYBZMYGFFIW-UHFFFAOYSA-N 1 2 342.630 3.892 20 0 EHADLO C[C@H](CNc1cc[nH+]c(OC2CCOCC2)c1)c1ccc(O)cc1 ZINC001169543231 1132778231 /nfs/dbraw/zinc/77/82/31/1132778231.db2.gz SSKNCVOTLYMGOF-CQSZACIVSA-N 1 2 328.412 3.561 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001175934319 1132800465 /nfs/dbraw/zinc/80/04/65/1132800465.db2.gz ALDPJZQSGAHVTQ-ZDUSSCGKSA-N 1 2 338.732 3.692 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001175934319 1132800475 /nfs/dbraw/zinc/80/04/75/1132800475.db2.gz ALDPJZQSGAHVTQ-ZDUSSCGKSA-N 1 2 338.732 3.692 20 0 EHADLO Cc1ccncc1C[NH2+]Cc1nc2ccc(Br)cc2o1 ZINC001206013812 1132802899 /nfs/dbraw/zinc/80/28/99/1132802899.db2.gz AXDAIGDXTGMJRF-UHFFFAOYSA-N 1 2 332.201 3.584 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(-c4ccccn4)cc3)c[nH+]2)CC1 ZINC001176037521 1132827143 /nfs/dbraw/zinc/82/71/43/1132827143.db2.gz SHLMKGQLXVSPHV-UHFFFAOYSA-N 1 2 346.434 3.848 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000766801554 1132838616 /nfs/dbraw/zinc/83/86/16/1132838616.db2.gz HCTOHMFUONFDEI-OAHLLOKOSA-N 1 2 338.238 3.938 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nccnc2c1Br ZINC001176120573 1132851524 /nfs/dbraw/zinc/85/15/24/1132851524.db2.gz FWELDOWFYVWPQQ-UHFFFAOYSA-N 1 2 331.173 3.540 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(C)c(Cl)nc1Br ZINC001176118073 1132851846 /nfs/dbraw/zinc/85/18/46/1132851846.db2.gz ARQJJWOUKYKITO-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO CCOC(=O)c1cnc(Cl)c(Nc2c[nH+]ccc2OC)c1Cl ZINC001176116571 1132852446 /nfs/dbraw/zinc/85/24/46/1132852446.db2.gz GIJSTFDSMQAKJT-UHFFFAOYSA-N 1 2 342.182 3.712 20 0 EHADLO CCOP(=O)(OCC)c1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001176123025 1132853624 /nfs/dbraw/zinc/85/36/24/1132853624.db2.gz GTECPNZIRKQCAO-UHFFFAOYSA-N 1 2 336.328 3.725 20 0 EHADLO CCOC(=O)C(C)(C)Oc1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001176124630 1132853974 /nfs/dbraw/zinc/85/39/74/1132853974.db2.gz SMVWGYCRZKAUEW-UHFFFAOYSA-N 1 2 330.384 3.554 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCc3cc(O)c(OC)cc3C2)c1 ZINC001176192666 1132862736 /nfs/dbraw/zinc/86/27/36/1132862736.db2.gz AILYJPBKUKQQIX-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCc3cc(O)c(OC)cc3C2)c1 ZINC001176192666 1132862739 /nfs/dbraw/zinc/86/27/39/1132862739.db2.gz AILYJPBKUKQQIX-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(Cl)c(C(=O)N(C)C)c2)c[nH+]1 ZINC001176151758 1132864690 /nfs/dbraw/zinc/86/46/90/1132864690.db2.gz OWXRTPGCTLQJOZ-UHFFFAOYSA-N 1 2 332.835 3.637 20 0 EHADLO Clc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001176221011 1132878075 /nfs/dbraw/zinc/87/80/75/1132878075.db2.gz WGEZFEYGAJBENS-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO O=C1CCc2cc(Nc3ccc4[nH+]cc(Br)n4c3)ccc21 ZINC001176230610 1132882141 /nfs/dbraw/zinc/88/21/41/1132882141.db2.gz OJOHZTVMFHLRES-UHFFFAOYSA-N 1 2 342.196 3.969 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001169898309 1132891634 /nfs/dbraw/zinc/89/16/34/1132891634.db2.gz AIYXRQGGILJGCO-WBVHZDCISA-N 1 2 334.529 3.877 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001169898309 1132891642 /nfs/dbraw/zinc/89/16/42/1132891642.db2.gz AIYXRQGGILJGCO-WBVHZDCISA-N 1 2 334.529 3.877 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001169903414 1132893889 /nfs/dbraw/zinc/89/38/89/1132893889.db2.gz CUBYXONKOKWRJY-KRWDZBQOSA-N 1 2 341.499 3.884 20 0 EHADLO CC(C)c1cnc(C[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)o1 ZINC001176321339 1132913654 /nfs/dbraw/zinc/91/36/54/1132913654.db2.gz BALLIWROHNAWRH-UHFFFAOYSA-N 1 2 339.480 3.875 20 0 EHADLO CC(C)c1cnc(C[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)o1 ZINC001176321339 1132913660 /nfs/dbraw/zinc/91/36/60/1132913660.db2.gz BALLIWROHNAWRH-UHFFFAOYSA-N 1 2 339.480 3.875 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2ccsc21 ZINC000767067212 1132940720 /nfs/dbraw/zinc/94/07/20/1132940720.db2.gz NIEBZFXTJPHFNC-OAHLLOKOSA-N 1 2 327.453 3.943 20 0 EHADLO Oc1cc(Cl)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001176624711 1132973244 /nfs/dbraw/zinc/97/32/44/1132973244.db2.gz PZORUBBTBMPYFE-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000767333076 1132982272 /nfs/dbraw/zinc/98/22/72/1132982272.db2.gz SAEYWBFYTOISPB-LLVKDONJSA-N 1 2 329.753 3.910 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000767333076 1132982285 /nfs/dbraw/zinc/98/22/85/1132982285.db2.gz SAEYWBFYTOISPB-LLVKDONJSA-N 1 2 329.753 3.910 20 0 EHADLO Oc1cc(Br)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750829 1132992690 /nfs/dbraw/zinc/99/26/90/1132992690.db2.gz OSRYFZCVJSZDIB-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(N(C)C)nc1 ZINC001176965046 1133015968 /nfs/dbraw/zinc/01/59/68/1133015968.db2.gz IFCLHKWYTZUNSK-AWEZNQCLSA-N 1 2 344.528 3.751 20 0 EHADLO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(N(C)C)nc1 ZINC001176965046 1133015971 /nfs/dbraw/zinc/01/59/71/1133015971.db2.gz IFCLHKWYTZUNSK-AWEZNQCLSA-N 1 2 344.528 3.751 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000767682873 1133038790 /nfs/dbraw/zinc/03/87/90/1133038790.db2.gz FTCRTCHUUWXVES-RUXDESIVSA-N 1 2 345.409 3.783 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000767770236 1133051030 /nfs/dbraw/zinc/05/10/30/1133051030.db2.gz ICIFYPXUEFXAOL-FEAKQIBJSA-N 1 2 346.525 3.896 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000767770236 1133051039 /nfs/dbraw/zinc/05/10/39/1133051039.db2.gz ICIFYPXUEFXAOL-FEAKQIBJSA-N 1 2 346.525 3.896 20 0 EHADLO CCOc1ccccc1OCCSCc1cc[nH+]c(N(C)C)c1 ZINC000767864465 1133061242 /nfs/dbraw/zinc/06/12/42/1133061242.db2.gz ACRANPTZHGCYAN-UHFFFAOYSA-N 1 2 332.469 3.859 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(SC(F)F)cc1)C1CCC1 ZINC000767876038 1133066130 /nfs/dbraw/zinc/06/61/30/1133066130.db2.gz OBHAPQLMQFAIOV-UHFFFAOYSA-N 1 2 329.412 3.919 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(SC(F)F)cc1)C1CCC1 ZINC000767876038 1133066135 /nfs/dbraw/zinc/06/61/35/1133066135.db2.gz OBHAPQLMQFAIOV-UHFFFAOYSA-N 1 2 329.412 3.919 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177622251 1133087981 /nfs/dbraw/zinc/08/79/81/1133087981.db2.gz LAWSGEWOJXTZAS-IBGZPJMESA-N 1 2 342.439 3.978 20 0 EHADLO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177622251 1133087984 /nfs/dbraw/zinc/08/79/84/1133087984.db2.gz LAWSGEWOJXTZAS-IBGZPJMESA-N 1 2 342.439 3.978 20 0 EHADLO OCc1csc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC001177698143 1133094403 /nfs/dbraw/zinc/09/44/03/1133094403.db2.gz OEWZIYUSWNVUDT-SFHVURJKSA-N 1 2 328.412 3.654 20 0 EHADLO C[C@H](C(=O)N1CCC(Cc2c(F)cccc2Cl)CC1)n1cc[nH+]c1 ZINC001177922446 1133113757 /nfs/dbraw/zinc/11/37/57/1133113757.db2.gz STCVEXJKTRUMDR-CYBMUJFWSA-N 1 2 349.837 3.718 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000768246503 1133116795 /nfs/dbraw/zinc/11/67/95/1133116795.db2.gz YAVXCZNFQDYODN-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000768246503 1133116797 /nfs/dbraw/zinc/11/67/97/1133116797.db2.gz YAVXCZNFQDYODN-GFCCVEGCSA-N 1 2 328.815 3.578 20 0 EHADLO CC[N@H+](CCOC)Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000768251410 1133117107 /nfs/dbraw/zinc/11/71/07/1133117107.db2.gz FFGDCWBFSAPUDI-UHFFFAOYSA-N 1 2 335.879 3.670 20 0 EHADLO CC[N@@H+](CCOC)Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000768251410 1133117109 /nfs/dbraw/zinc/11/71/09/1133117109.db2.gz FFGDCWBFSAPUDI-UHFFFAOYSA-N 1 2 335.879 3.670 20 0 EHADLO Cc1ccc(C[C@H](NC(=O)CCc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001178000579 1133123226 /nfs/dbraw/zinc/12/32/26/1133123226.db2.gz UWMSYZKXDZACRI-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC001178115937 1133132470 /nfs/dbraw/zinc/13/24/70/1133132470.db2.gz IQTWAEWTADIBDY-OALUTQOASA-N 1 2 337.467 3.816 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001178405582 1133166778 /nfs/dbraw/zinc/16/67/78/1133166778.db2.gz HCXXQEIAJLBCJC-UHFFFAOYSA-N 1 2 325.343 3.831 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(C3CCCCC3)CC2)cc1 ZINC000768769201 1133175161 /nfs/dbraw/zinc/17/51/61/1133175161.db2.gz FRPCVXFDWONDFZ-UHFFFAOYSA-N 1 2 335.513 3.882 20 0 EHADLO CCc1[nH]c(CNC(=O)CCCOc2cccc3ccccc32)c[nH+]1 ZINC001178662525 1133188918 /nfs/dbraw/zinc/18/89/18/1133188918.db2.gz OHJTWHQMXGAWJU-UHFFFAOYSA-N 1 2 337.423 3.601 20 0 EHADLO CCc1[nH]cc(CNC(=O)CCCOc2cccc3ccccc32)[nH+]1 ZINC001178662525 1133188920 /nfs/dbraw/zinc/18/89/20/1133188920.db2.gz OHJTWHQMXGAWJU-UHFFFAOYSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000768891931 1133197233 /nfs/dbraw/zinc/19/72/33/1133197233.db2.gz YYHNQOQZWCXLFB-UHFFFAOYSA-N 1 2 333.863 3.673 20 0 EHADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000768891931 1133197235 /nfs/dbraw/zinc/19/72/35/1133197235.db2.gz YYHNQOQZWCXLFB-UHFFFAOYSA-N 1 2 333.863 3.673 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000768911701 1133201966 /nfs/dbraw/zinc/20/19/66/1133201966.db2.gz SOQXVXLNQVIEMP-HUUCEWRRSA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000768911701 1133201972 /nfs/dbraw/zinc/20/19/72/1133201972.db2.gz SOQXVXLNQVIEMP-HUUCEWRRSA-N 1 2 336.426 3.606 20 0 EHADLO CC(C)(C)Sc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC001178922805 1133213454 /nfs/dbraw/zinc/21/34/54/1133213454.db2.gz ZKPJYJOAISLYSH-UHFFFAOYSA-N 1 2 344.484 3.504 20 0 EHADLO Cc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1C(F)(F)F ZINC001178922119 1133213517 /nfs/dbraw/zinc/21/35/17/1133213517.db2.gz HLZYVFAVHSYESW-UHFFFAOYSA-N 1 2 337.345 3.546 20 0 EHADLO O=C(CCCCCc1cccs1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922731 1133213694 /nfs/dbraw/zinc/21/36/94/1133213694.db2.gz VWIUOYXVJCOBAN-UHFFFAOYSA-N 1 2 331.485 3.769 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cc(C)no1 ZINC001179809909 1133285625 /nfs/dbraw/zinc/28/56/25/1133285625.db2.gz IBAOSIPCSQMFGO-UHFFFAOYSA-N 1 2 335.205 3.727 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2cc1O ZINC000769721583 1133335105 /nfs/dbraw/zinc/33/51/05/1133335105.db2.gz DLYLFJLRXFOAGB-GOSISDBHSA-N 1 2 337.423 3.587 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2ccccc2c1O ZINC000769723328 1133335248 /nfs/dbraw/zinc/33/52/48/1133335248.db2.gz WLZDDWMEWIUBFW-QGZVFWFLSA-N 1 2 337.423 3.587 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2cc1O ZINC000769721584 1133335593 /nfs/dbraw/zinc/33/55/93/1133335593.db2.gz DLYLFJLRXFOAGB-SFHVURJKSA-N 1 2 337.423 3.587 20 0 EHADLO CCOCCOC1C[NH+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001180349661 1133360515 /nfs/dbraw/zinc/36/05/15/1133360515.db2.gz NZASFAJCYPDJMU-UHFFFAOYSA-N 1 2 325.408 3.823 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000770057807 1133378055 /nfs/dbraw/zinc/37/80/55/1133378055.db2.gz MWLMWPVPDGWZTK-LLVKDONJSA-N 1 2 333.313 3.844 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)Cc2ccc(CC(C)C)nc2)c1C ZINC001180780258 1133414845 /nfs/dbraw/zinc/41/48/45/1133414845.db2.gz RGMMHISFRYUHTI-UHFFFAOYSA-N 1 2 327.472 3.933 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(CC(C)C)nc2)c1C ZINC001180780258 1133414848 /nfs/dbraw/zinc/41/48/48/1133414848.db2.gz RGMMHISFRYUHTI-UHFFFAOYSA-N 1 2 327.472 3.933 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(C2CCOCC2)n1 ZINC001180836420 1133417221 /nfs/dbraw/zinc/41/72/21/1133417221.db2.gz NLBIEKPUTOQXAC-UHFFFAOYSA-N 1 2 345.874 3.526 20 0 EHADLO Cn1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)c(C2CCOCC2)n1 ZINC001180836420 1133417225 /nfs/dbraw/zinc/41/72/25/1133417225.db2.gz NLBIEKPUTOQXAC-UHFFFAOYSA-N 1 2 345.874 3.526 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000770413965 1133425302 /nfs/dbraw/zinc/42/53/02/1133425302.db2.gz YPVQTMXREDXVSW-OAHLLOKOSA-N 1 2 339.826 3.835 20 0 EHADLO CCOc1cc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC000770468454 1133434083 /nfs/dbraw/zinc/43/40/83/1133434083.db2.gz IVWXPNJCZOGOOA-WMZJFQQLSA-N 1 2 349.390 3.629 20 0 EHADLO C[N@H+](CCc1cnccn1)Cn1c(-c2ccccc2)csc1=S ZINC000770664141 1133455830 /nfs/dbraw/zinc/45/58/30/1133455830.db2.gz UVOWBVNHXRBAJD-UHFFFAOYSA-N 1 2 342.493 3.868 20 0 EHADLO C[N@@H+](CCc1cnccn1)Cn1c(-c2ccccc2)csc1=S ZINC000770664141 1133455832 /nfs/dbraw/zinc/45/58/32/1133455832.db2.gz UVOWBVNHXRBAJD-UHFFFAOYSA-N 1 2 342.493 3.868 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c(C)c1Br ZINC000770669622 1133457828 /nfs/dbraw/zinc/45/78/28/1133457828.db2.gz DYXZDIJXSPVXLO-NSHDSACASA-N 1 2 326.282 3.732 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(C)c1Br ZINC000770669622 1133457832 /nfs/dbraw/zinc/45/78/32/1133457832.db2.gz DYXZDIJXSPVXLO-NSHDSACASA-N 1 2 326.282 3.732 20 0 EHADLO CCC(CC)(C(=O)NCc1c[nH+]cn1C1CCC1)c1ccccc1 ZINC001181159676 1133461604 /nfs/dbraw/zinc/46/16/04/1133461604.db2.gz YODOZCOYODSCLD-UHFFFAOYSA-N 1 2 325.456 3.982 20 0 EHADLO Cc1ccc(-c2ocnc2C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770733869 1133466364 /nfs/dbraw/zinc/46/63/64/1133466364.db2.gz PMIGQXZWAMAUJE-UHFFFAOYSA-N 1 2 333.347 3.655 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921284 1133483644 /nfs/dbraw/zinc/48/36/44/1133483644.db2.gz PFNWUXPMBMFSSY-UHFFFAOYSA-N 1 2 339.782 3.836 20 0 EHADLO Cn1cc(CCC(=O)OCc2cccc3[nH+]ccn32)c2ccccc21 ZINC000770919814 1133484081 /nfs/dbraw/zinc/48/40/81/1133484081.db2.gz DUAVORDLFDFROG-UHFFFAOYSA-N 1 2 333.391 3.502 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@]12CCCc1ccccc12 ZINC000770929461 1133486218 /nfs/dbraw/zinc/48/62/18/1133486218.db2.gz PIHQLGSGSTZVNN-NQIIRXRSSA-N 1 2 332.403 3.672 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2cscn2)c(OC(F)F)c1 ZINC000152031999 1133572291 /nfs/dbraw/zinc/57/22/91/1133572291.db2.gz MPESRGUIHNAXSO-UHFFFAOYSA-N 1 2 328.384 3.823 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1cc(Cl)cc2cccnc21 ZINC000771664811 1133581385 /nfs/dbraw/zinc/58/13/85/1133581385.db2.gz PSCWDVSKFQAMHA-UHFFFAOYSA-N 1 2 326.787 3.524 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)NCCNc1cccc[nH+]1 ZINC001182219117 1133598152 /nfs/dbraw/zinc/59/81/52/1133598152.db2.gz VVTGQUCXNGRTTA-FQEVSTJZSA-N 1 2 325.456 3.515 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N(C)C1CC(F)(F)C1)c1ccccc1Cl ZINC001182219596 1133598955 /nfs/dbraw/zinc/59/89/55/1133598955.db2.gz WNSNACCWTLELFY-HNNXBMFYSA-N 1 2 344.833 3.979 20 0 EHADLO O=C(Nc1cc[nH]n1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182244518 1133599579 /nfs/dbraw/zinc/59/95/79/1133599579.db2.gz ODQRWRYSLFOIJN-MRXNPFEDSA-N 1 2 332.835 3.619 20 0 EHADLO O=C(NCC(F)F)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243902 1133600094 /nfs/dbraw/zinc/60/00/94/1133600094.db2.gz KVKLRBNEGFOBKY-OAHLLOKOSA-N 1 2 330.806 3.638 20 0 EHADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)OCCn1cc[nH+]c1 ZINC000772000585 1133626737 /nfs/dbraw/zinc/62/67/37/1133626737.db2.gz CTQMZMMDCMNBFK-LCYFTJDESA-N 1 2 344.720 3.726 20 0 EHADLO O[C@@H](CNc1ccc2c([nH+]1)CCOC2)c1c(Cl)cccc1Cl ZINC001170037688 1133637892 /nfs/dbraw/zinc/63/78/92/1133637892.db2.gz AGLUGQAWCJMIRY-AWEZNQCLSA-N 1 2 339.222 3.607 20 0 EHADLO C/C(=C/C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000746538627 1133684438 /nfs/dbraw/zinc/68/44/38/1133684438.db2.gz AAUWPPYPPZAMIZ-QINSGFPZSA-N 1 2 337.398 3.544 20 0 EHADLO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)C2([NH+](C)C)CC2)c1 ZINC001182600486 1133709733 /nfs/dbraw/zinc/70/97/33/1133709733.db2.gz LKWQDXFOVNJAJU-UHFFFAOYSA-N 1 2 336.435 3.567 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@H+](CCC(F)(F)F)CC2CC2)C(=O)O1 ZINC000785505560 1133714911 /nfs/dbraw/zinc/71/49/11/1133714911.db2.gz GAPYQMRIRNKSSB-CYBMUJFWSA-N 1 2 336.398 3.865 20 0 EHADLO CC(C)(C)C[C@@H]1CN(C[N@@H+](CCC(F)(F)F)CC2CC2)C(=O)O1 ZINC000785505560 1133714915 /nfs/dbraw/zinc/71/49/15/1133714915.db2.gz GAPYQMRIRNKSSB-CYBMUJFWSA-N 1 2 336.398 3.865 20 0 EHADLO Cc1ccc(COCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030131 1133759244 /nfs/dbraw/zinc/75/92/44/1133759244.db2.gz MZQQZFUJJUQISO-KRWDZBQOSA-N 1 2 349.434 3.575 20 0 EHADLO CC(C)n1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001203167400 1133812528 /nfs/dbraw/zinc/81/25/28/1133812528.db2.gz YIAJNRPWJUVRFW-UHFFFAOYSA-N 1 2 329.444 3.524 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@H+](Cc2ccnc(Cl)c2)C3)cc1 ZINC000781352481 1133847083 /nfs/dbraw/zinc/84/70/83/1133847083.db2.gz VXXQNUUZXPPHTB-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO Fc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccnc(Cl)c2)C3)cc1 ZINC000781352481 1133847089 /nfs/dbraw/zinc/84/70/89/1133847089.db2.gz VXXQNUUZXPPHTB-UHFFFAOYSA-N 1 2 342.805 3.618 20 0 EHADLO C[C@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1)c1cc(F)cc(F)c1 ZINC001184002647 1133888040 /nfs/dbraw/zinc/88/80/40/1133888040.db2.gz SCTDJZZKXZNZKD-SFYZADRCSA-N 1 2 334.292 3.556 20 0 EHADLO Brc1ncccc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001184352118 1133931796 /nfs/dbraw/zinc/93/17/96/1133931796.db2.gz WPZHAXRJVQJVAA-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ncccc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001184352118 1133931799 /nfs/dbraw/zinc/93/17/99/1133931799.db2.gz WPZHAXRJVQJVAA-INIZCTEOSA-N 1 2 347.256 3.808 20 0 EHADLO CO[C@H](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001184350827 1133932103 /nfs/dbraw/zinc/93/21/03/1133932103.db2.gz ZYGMJWHMIJQBOZ-OXJNMPFZSA-N 1 2 349.434 3.705 20 0 EHADLO Fc1nccc(Cl)c1C[NH2+][C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001184429302 1133940878 /nfs/dbraw/zinc/94/08/78/1133940878.db2.gz VZTDYEYLLAGEBB-MAUKXSAKSA-N 1 2 348.805 3.647 20 0 EHADLO COC(=O)c1oc(CNc2[nH+]c3ccccc3n2CC2CC2)cc1C ZINC001184463230 1133943632 /nfs/dbraw/zinc/94/36/32/1133943632.db2.gz YQGZZUKOUUCSEU-UHFFFAOYSA-N 1 2 339.395 3.746 20 0 EHADLO Cc1nc(F)ccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000787062324 1133951889 /nfs/dbraw/zinc/95/18/89/1133951889.db2.gz AIMPTMPOJIBTJA-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cnc1Cl ZINC000787290667 1133985239 /nfs/dbraw/zinc/98/52/39/1133985239.db2.gz PNTUHBPHMLGBLI-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cnc1Cl ZINC000787290667 1133985245 /nfs/dbraw/zinc/98/52/45/1133985245.db2.gz PNTUHBPHMLGBLI-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000746670491 1133985568 /nfs/dbraw/zinc/98/55/68/1133985568.db2.gz KHRJTAZVMTUMQH-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000746670491 1133985570 /nfs/dbraw/zinc/98/55/70/1133985570.db2.gz KHRJTAZVMTUMQH-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000787272090 1133987926 /nfs/dbraw/zinc/98/79/26/1133987926.db2.gz ORLFPYBSJURGNB-BOLDSZDNSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000787272090 1133987933 /nfs/dbraw/zinc/98/79/33/1133987933.db2.gz ORLFPYBSJURGNB-BOLDSZDNSA-N 1 2 346.272 3.860 20 0 EHADLO Nc1cc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc[nH+]1 ZINC000787570830 1134017993 /nfs/dbraw/zinc/01/79/93/1134017993.db2.gz HHXXMLDELUMGPA-UHFFFAOYSA-N 1 2 330.815 3.872 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787597141 1134023088 /nfs/dbraw/zinc/02/30/88/1134023088.db2.gz FGBACKLJQPDBLK-UHFFFAOYSA-N 1 2 331.422 3.514 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCSc2ccc(F)cc21 ZINC000787989272 1134061403 /nfs/dbraw/zinc/06/14/03/1134061403.db2.gz BZTFVRMGSNYYQY-UHFFFAOYSA-N 1 2 327.384 3.616 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](C)CCCCc1ccccc1 ZINC000788012557 1134063057 /nfs/dbraw/zinc/06/30/57/1134063057.db2.gz VNQISRHTJLUXBH-UHFFFAOYSA-N 1 2 332.879 3.651 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCCCc1ccccc1 ZINC000788012557 1134063065 /nfs/dbraw/zinc/06/30/65/1134063065.db2.gz VNQISRHTJLUXBH-UHFFFAOYSA-N 1 2 332.879 3.651 20 0 EHADLO Cc1cc(Cl)nc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000788105272 1134075484 /nfs/dbraw/zinc/07/54/84/1134075484.db2.gz DCSHLLFICRWARQ-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO Cc1ccoc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243537 1134099102 /nfs/dbraw/zinc/09/91/02/1134099102.db2.gz NFFZYGUOYPIKSF-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1ccoc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243537 1134099110 /nfs/dbraw/zinc/09/91/10/1134099110.db2.gz NFFZYGUOYPIKSF-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000788240314 1134099403 /nfs/dbraw/zinc/09/94/03/1134099403.db2.gz DLOXYONQSPQMTO-JEWRLFTDSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000788240314 1134099409 /nfs/dbraw/zinc/09/94/09/1134099409.db2.gz DLOXYONQSPQMTO-JEWRLFTDSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cccs1 ZINC000788239408 1134099582 /nfs/dbraw/zinc/09/95/82/1134099582.db2.gz BMWPWTPBGISFTG-ZDUSSCGKSA-N 1 2 329.469 3.806 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cccs1 ZINC000788239408 1134099588 /nfs/dbraw/zinc/09/95/88/1134099588.db2.gz BMWPWTPBGISFTG-ZDUSSCGKSA-N 1 2 329.469 3.806 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788333839 1134110468 /nfs/dbraw/zinc/11/04/68/1134110468.db2.gz SKJJRBFRPIBMPD-OAHLLOKOSA-N 1 2 333.844 3.585 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000788475085 1134129248 /nfs/dbraw/zinc/12/92/48/1134129248.db2.gz PVRKFSZDIZPOOM-CQSZACIVSA-N 1 2 347.846 3.599 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000788475085 1134129253 /nfs/dbraw/zinc/12/92/53/1134129253.db2.gz PVRKFSZDIZPOOM-CQSZACIVSA-N 1 2 347.846 3.599 20 0 EHADLO FC(F)(F)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1Cl ZINC000788571028 1134146410 /nfs/dbraw/zinc/14/64/10/1134146410.db2.gz JBZIIESIENKHDP-LLVKDONJSA-N 1 2 343.736 3.807 20 0 EHADLO CC[C@@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)c1nnc2n1CCCCC2 ZINC000788590818 1134148939 /nfs/dbraw/zinc/14/89/39/1134148939.db2.gz WJKSLZCVDZJGPW-KGLIPLIRSA-N 1 2 345.878 3.781 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000788767105 1134166993 /nfs/dbraw/zinc/16/69/93/1134166993.db2.gz SWXVMYPYBCSPQH-MRXNPFEDSA-N 1 2 342.826 3.672 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1Cl ZINC000788740537 1134168880 /nfs/dbraw/zinc/16/88/80/1134168880.db2.gz AWVOSMZSRRZPKY-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO CCc1cccc(Cl)c1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000788967210 1134196284 /nfs/dbraw/zinc/19/62/84/1134196284.db2.gz QTBIVTWTYVKDHG-UHFFFAOYSA-N 1 2 326.831 3.773 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H]3CCOc4c(C)cccc43)n2)c1 ZINC000788971939 1134198202 /nfs/dbraw/zinc/19/82/02/1134198202.db2.gz RSLDZMBYWDOJNB-HXUWFJFHSA-N 1 2 348.450 3.806 20 0 EHADLO CC(C)SCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001186381584 1134212147 /nfs/dbraw/zinc/21/21/47/1134212147.db2.gz VNHVFCUTJCDOSA-UHFFFAOYSA-N 1 2 331.420 3.508 20 0 EHADLO Cc1cccn2c(CNC(=O)N[C@H]3CCCc4ccccc43)c[nH+]c12 ZINC001186463585 1134224818 /nfs/dbraw/zinc/22/48/18/1134224818.db2.gz WAEYAXXRZURIEL-SFHVURJKSA-N 1 2 334.423 3.520 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000789481085 1134289930 /nfs/dbraw/zinc/28/99/30/1134289930.db2.gz OMVZNNUVBGNOKE-HEHGZKQESA-N 1 2 347.330 3.744 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000789481085 1134289935 /nfs/dbraw/zinc/28/99/35/1134289935.db2.gz OMVZNNUVBGNOKE-HEHGZKQESA-N 1 2 347.330 3.744 20 0 EHADLO COc1ccc(/C=C\C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001273544873 1134362384 /nfs/dbraw/zinc/36/23/84/1134362384.db2.gz YOYDOWSCWCLYJO-WDZFZDKYSA-N 1 2 347.418 3.961 20 0 EHADLO CCc1[nH]c(CNc2nc(-c3cccnc3)nc3ccccc32)c[nH+]1 ZINC001187739935 1134378721 /nfs/dbraw/zinc/37/87/21/1134378721.db2.gz PMPFBJDIKLGUBQ-UHFFFAOYSA-N 1 2 330.395 3.589 20 0 EHADLO CCc1[nH]cc(CNc2nc(-c3cccnc3)nc3ccccc32)[nH+]1 ZINC001187739935 1134378728 /nfs/dbraw/zinc/37/87/28/1134378728.db2.gz PMPFBJDIKLGUBQ-UHFFFAOYSA-N 1 2 330.395 3.589 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@H]1CCC(C)(C)CO1 ZINC001187757933 1134381353 /nfs/dbraw/zinc/38/13/53/1134381353.db2.gz QWPFAYMBBIGTQR-CYBMUJFWSA-N 1 2 331.464 3.589 20 0 EHADLO CCCCCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790423214 1134414336 /nfs/dbraw/zinc/41/43/36/1134414336.db2.gz NMKMOXGSCGRVSQ-UHFFFAOYSA-N 1 2 348.468 3.785 20 0 EHADLO CCCC1CCC([N@H+](C)Cn2nc(N(C)C)sc2=S)CC1 ZINC000790477743 1134422212 /nfs/dbraw/zinc/42/22/12/1134422212.db2.gz JEGBGKTVVSRGPZ-UHFFFAOYSA-N 1 2 328.551 3.988 20 0 EHADLO CCCC1CCC([N@@H+](C)Cn2nc(N(C)C)sc2=S)CC1 ZINC000790477743 1134422215 /nfs/dbraw/zinc/42/22/15/1134422215.db2.gz JEGBGKTVVSRGPZ-UHFFFAOYSA-N 1 2 328.551 3.988 20 0 EHADLO Cc1csc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1Cl ZINC000790489076 1134425232 /nfs/dbraw/zinc/42/52/32/1134425232.db2.gz LIRCVGIDNVGTCG-NSHDSACASA-N 1 2 325.865 3.751 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)c1nnnn1C1CC1 ZINC000790756464 1134457854 /nfs/dbraw/zinc/45/78/54/1134457854.db2.gz QABHRNJFDUADGH-TVQRCGJNSA-N 1 2 335.864 3.549 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)c1nnnn1C1CC1 ZINC000790750268 1134462245 /nfs/dbraw/zinc/46/22/45/1134462245.db2.gz OTAQGXZTIWCMAD-IUCAKERBSA-N 1 2 326.231 3.727 20 0 EHADLO COc1ccc(C(C)(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000156317773 1134493341 /nfs/dbraw/zinc/49/33/41/1134493341.db2.gz RJIILKURYDPIKA-UHFFFAOYSA-N 1 2 349.434 3.856 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000791380257 1134537341 /nfs/dbraw/zinc/53/73/41/1134537341.db2.gz JMRJRSOYNCZNPW-HNAYVOBHSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccnc(C2CC2)c1 ZINC000791443036 1134551511 /nfs/dbraw/zinc/55/15/11/1134551511.db2.gz PZTXLCMYJRZSSC-UHFFFAOYSA-N 1 2 333.391 3.810 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C=C1CCSCC1 ZINC000791429193 1134556602 /nfs/dbraw/zinc/55/66/02/1134556602.db2.gz CDNCHPWWVJZEKB-UHFFFAOYSA-N 1 2 328.437 3.677 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775274094 1134607662 /nfs/dbraw/zinc/60/76/62/1134607662.db2.gz ZJFPWMUDILMTTM-CQSZACIVSA-N 1 2 341.455 3.950 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791838984 1134617972 /nfs/dbraw/zinc/61/79/72/1134617972.db2.gz PQNRDWFZUDBITP-NWDGAFQWSA-N 1 2 337.206 3.818 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791869862 1134625705 /nfs/dbraw/zinc/62/57/05/1134625705.db2.gz KRFMNZCWKZSKKT-JTQLQIEISA-N 1 2 339.222 3.893 20 0 EHADLO CC(C)COc1ccc(C(C)(C)C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791877190 1134627092 /nfs/dbraw/zinc/62/70/92/1134627092.db2.gz YGFCXIYMCYFLBK-UHFFFAOYSA-N 1 2 342.439 3.720 20 0 EHADLO C[C@H](CC(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791931647 1134628566 /nfs/dbraw/zinc/62/85/66/1134628566.db2.gz SPBKMHNQWBCXOC-LLVKDONJSA-N 1 2 338.329 3.920 20 0 EHADLO C[C@@H](CC(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791931648 1134628752 /nfs/dbraw/zinc/62/87/52/1134628752.db2.gz SPBKMHNQWBCXOC-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO CC[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1cccc(C(F)(F)F)c1 ZINC000791991191 1134637699 /nfs/dbraw/zinc/63/76/99/1134637699.db2.gz AAOFPPDFPWXQSP-AWEZNQCLSA-N 1 2 338.329 3.920 20 0 EHADLO Nc1cc(COC(=O)c2cc3ccccc3cc2OC(F)F)cc[nH+]1 ZINC000792076177 1134648382 /nfs/dbraw/zinc/64/83/82/1134648382.db2.gz XBSFGRKCIUZZRY-UHFFFAOYSA-N 1 2 344.317 3.775 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCSCc1ccccc1 ZINC000792080481 1134652664 /nfs/dbraw/zinc/65/26/64/1134652664.db2.gz AQMGBAKJFXIMMW-QGZVFWFLSA-N 1 2 345.512 3.738 20 0 EHADLO C[C@@H](Cc1ccccc1)n1cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792088489 1134653275 /nfs/dbraw/zinc/65/32/75/1134653275.db2.gz HCQBWHYQINQRJQ-HNNXBMFYSA-N 1 2 335.407 3.626 20 0 EHADLO CC(C)Oc1ccc(CCNC(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190106758 1134656697 /nfs/dbraw/zinc/65/66/97/1134656697.db2.gz JEVVDLFDOLUTCZ-UHFFFAOYSA-N 1 2 349.434 3.632 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)NCc1ccc(Cl)cc1Cl ZINC001190116085 1134661931 /nfs/dbraw/zinc/66/19/31/1134661931.db2.gz VHLSVPAJOFTILS-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO Nc1cc(COC(=O)C(Cc2ccccc2)Cc2ccccc2)cc[nH+]1 ZINC000792289601 1134673516 /nfs/dbraw/zinc/67/35/16/1134673516.db2.gz ISAWYAFYSPZMJH-UHFFFAOYSA-N 1 2 346.430 3.809 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)Nc1cccc2[nH+]ccn21 ZINC001190330385 1134683450 /nfs/dbraw/zinc/68/34/50/1134683450.db2.gz KEMFPKFVAUKUAL-UHFFFAOYSA-N 1 2 333.351 3.942 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001170173454 1134696572 /nfs/dbraw/zinc/69/65/72/1134696572.db2.gz XJHCAEUQSYPAGO-IBGZPJMESA-N 1 2 349.434 3.673 20 0 EHADLO Nc1cn2ccc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2[nH+]1 ZINC001170291730 1134745069 /nfs/dbraw/zinc/74/50/69/1134745069.db2.gz DEXHPDVJSOSCRJ-UHFFFAOYSA-N 1 2 346.316 3.710 20 0 EHADLO COc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1C(F)(F)F ZINC001190800623 1134753003 /nfs/dbraw/zinc/75/30/03/1134753003.db2.gz WKXIORYLHQLXBI-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000792645341 1134758799 /nfs/dbraw/zinc/75/87/99/1134758799.db2.gz LNZGKSPLQQLSAO-IBGZPJMESA-N 1 2 346.386 3.676 20 0 EHADLO Cc1cccc(CNC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190990386 1134775768 /nfs/dbraw/zinc/77/57/68/1134775768.db2.gz BBRFZUQTBOBDBQ-UHFFFAOYSA-N 1 2 334.423 3.522 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191070931 1134787485 /nfs/dbraw/zinc/78/74/85/1134787485.db2.gz QNNCFUVCEYVZPC-BEFAXECRSA-N 1 2 345.389 3.744 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191070931 1134787490 /nfs/dbraw/zinc/78/74/90/1134787490.db2.gz QNNCFUVCEYVZPC-BEFAXECRSA-N 1 2 345.389 3.744 20 0 EHADLO Cc1ccc(CC[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC001191113264 1134795639 /nfs/dbraw/zinc/79/56/39/1134795639.db2.gz UEXFYCFFDZGORM-UHFFFAOYSA-N 1 2 342.870 3.535 20 0 EHADLO Cc1ccc(CC[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC001191113264 1134795642 /nfs/dbraw/zinc/79/56/42/1134795642.db2.gz UEXFYCFFDZGORM-UHFFFAOYSA-N 1 2 342.870 3.535 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)NCc2c[nH+]cn2CC2CC2)cc1 ZINC001191166305 1134806257 /nfs/dbraw/zinc/80/62/57/1134806257.db2.gz PPOUSCPKZYLOSZ-UHFFFAOYSA-N 1 2 326.444 3.912 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](F)CC1CCCCC1 ZINC000793011002 1134838439 /nfs/dbraw/zinc/83/84/39/1134838439.db2.gz SKMIFZRHUAHMKC-IBGZPJMESA-N 1 2 343.446 3.856 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000793251033 1134889344 /nfs/dbraw/zinc/88/93/44/1134889344.db2.gz MPIVWBSNMWTGMV-UHFFFAOYSA-N 1 2 342.345 3.765 20 0 EHADLO C[C@H](CC(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793254283 1134890622 /nfs/dbraw/zinc/89/06/22/1134890622.db2.gz DFNNHSJKHSUTDJ-GFCCVEGCSA-N 1 2 340.345 3.718 20 0 EHADLO CCOC(=O)C1([NH2+]CCCCc2ccccc2)Cc2ccccc2C1 ZINC001191764082 1134910866 /nfs/dbraw/zinc/91/08/66/1134910866.db2.gz OXQWVIVELXBDLP-UHFFFAOYSA-N 1 2 337.463 3.700 20 0 EHADLO CCc1ocnc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793380042 1134916329 /nfs/dbraw/zinc/91/63/29/1134916329.db2.gz WKISSUGPWBVUGW-UHFFFAOYSA-N 1 2 337.379 3.656 20 0 EHADLO COC(C)(C)CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793391854 1134923349 /nfs/dbraw/zinc/92/33/49/1134923349.db2.gz SPIHKQWQIWKDEI-UHFFFAOYSA-N 1 2 328.412 3.607 20 0 EHADLO Cc1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc[nH+]1 ZINC000793489747 1134940405 /nfs/dbraw/zinc/94/04/05/1134940405.db2.gz XDTUFAUHTKJBLJ-UHFFFAOYSA-N 1 2 341.411 3.720 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000775494886 1134947265 /nfs/dbraw/zinc/94/72/65/1134947265.db2.gz PVOUSRCYNMAVMC-HNAYVOBHSA-N 1 2 327.424 3.992 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000775494886 1134947272 /nfs/dbraw/zinc/94/72/72/1134947272.db2.gz PVOUSRCYNMAVMC-HNAYVOBHSA-N 1 2 327.424 3.992 20 0 EHADLO CCCCCCNC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001191972838 1134953286 /nfs/dbraw/zinc/95/32/86/1134953286.db2.gz RBFVKODSGATNHI-MRXNPFEDSA-N 1 2 335.467 3.794 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OC2CCCCC2)nc1 ZINC001192090376 1134960605 /nfs/dbraw/zinc/96/06/05/1134960605.db2.gz INUALPQKIMBZLA-UHFFFAOYSA-N 1 2 336.395 3.693 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H](F)CC3CCCCC3)[nH+]c12 ZINC000793599681 1134966637 /nfs/dbraw/zinc/96/66/37/1134966637.db2.gz OBKNLWVPRKHAJS-KRWDZBQOSA-N 1 2 331.435 3.610 20 0 EHADLO CC1(C)CO[C@@H](C[N@@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC001192185584 1134976003 /nfs/dbraw/zinc/97/60/03/1134976003.db2.gz YFQNHEDOKDARDQ-CYBMUJFWSA-N 1 2 342.252 3.761 20 0 EHADLO CC1(C)CO[C@@H](C[N@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC001192185584 1134976007 /nfs/dbraw/zinc/97/60/07/1134976007.db2.gz YFQNHEDOKDARDQ-CYBMUJFWSA-N 1 2 342.252 3.761 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc2c1OCCO2 ZINC001192215018 1134986665 /nfs/dbraw/zinc/98/66/65/1134986665.db2.gz RURCOKNVOIENEQ-GFCCVEGCSA-N 1 2 331.362 3.855 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc2c1OCCO2 ZINC001192215018 1134986669 /nfs/dbraw/zinc/98/66/69/1134986669.db2.gz RURCOKNVOIENEQ-GFCCVEGCSA-N 1 2 331.362 3.855 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1noc2c1CC(C)(C)CC2 ZINC001192358183 1135005196 /nfs/dbraw/zinc/00/51/96/1135005196.db2.gz DPAHZJQWTHOHQY-OAHLLOKOSA-N 1 2 328.456 3.745 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1noc2c1CC(C)(C)CC2 ZINC001192358183 1135005201 /nfs/dbraw/zinc/00/52/01/1135005201.db2.gz DPAHZJQWTHOHQY-OAHLLOKOSA-N 1 2 328.456 3.745 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804435640 1135069102 /nfs/dbraw/zinc/06/91/02/1135069102.db2.gz HEIQDPBWDXMTAU-HBFSDRIKSA-N 1 2 338.536 3.695 20 0 EHADLO C[C@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000775565783 1135093277 /nfs/dbraw/zinc/09/32/77/1135093277.db2.gz DFAZGNCRKWMWLK-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1CCOCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000775565783 1135093282 /nfs/dbraw/zinc/09/32/82/1135093282.db2.gz DFAZGNCRKWMWLK-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO CN(CC[N@@H+]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001193142692 1135108781 /nfs/dbraw/zinc/10/87/81/1135108781.db2.gz YTXFQNKRMIBJTF-UHFFFAOYSA-N 1 2 331.257 3.901 20 0 EHADLO CN(CC[N@H+]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001193142692 1135108784 /nfs/dbraw/zinc/10/87/84/1135108784.db2.gz YTXFQNKRMIBJTF-UHFFFAOYSA-N 1 2 331.257 3.901 20 0 EHADLO COC(=O)/C(C)=C\C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC001193374461 1135132986 /nfs/dbraw/zinc/13/29/86/1135132986.db2.gz UBXWFWSXIROCDH-POHAHGRESA-N 1 2 346.652 3.654 20 0 EHADLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC001193374461 1135132988 /nfs/dbraw/zinc/13/29/88/1135132988.db2.gz UBXWFWSXIROCDH-POHAHGRESA-N 1 2 346.652 3.654 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc3sccc3nc2Cl)c[nH+]1 ZINC001129714315 1135142943 /nfs/dbraw/zinc/14/29/43/1135142943.db2.gz NUBXUNPEXTTXAD-UHFFFAOYSA-N 1 2 331.828 3.892 20 0 EHADLO CC(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001193515022 1135150076 /nfs/dbraw/zinc/15/00/76/1135150076.db2.gz VUYVHNHSBMOQDI-UHFFFAOYSA-N 1 2 328.815 3.578 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(Cl)n1 ZINC001193591852 1135156313 /nfs/dbraw/zinc/15/63/13/1135156313.db2.gz BMUWWCMMRYRWOV-QGZVFWFLSA-N 1 2 344.821 3.795 20 0 EHADLO [NH2+]=C(Nc1cccc2c1CCN2)c1ccc(Br)cc1F ZINC001170462899 1135171510 /nfs/dbraw/zinc/17/15/10/1135171510.db2.gz MLONBJJJPPMOFR-UHFFFAOYSA-N 1 2 334.192 3.994 20 0 EHADLO Fc1ccccc1-n1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)n1 ZINC001194570306 1135287330 /nfs/dbraw/zinc/28/73/30/1135287330.db2.gz CQILEUVASBZODF-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO Fc1ccccc1-n1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)n1 ZINC001194570306 1135287335 /nfs/dbraw/zinc/28/73/35/1135287335.db2.gz CQILEUVASBZODF-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO CC[C@H]1CC([NH+]2C[C@@H](F)[C@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484410 1135294969 /nfs/dbraw/zinc/29/49/69/1135294969.db2.gz NKFFBMAFRHRISL-WMHQRMGPSA-N 1 2 346.462 3.935 20 0 EHADLO CC[C@@H]1C[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484496 1135295080 /nfs/dbraw/zinc/29/50/80/1135295080.db2.gz NKFFBMAFRHRISL-YIDVYQOGSA-N 1 2 346.462 3.935 20 0 EHADLO CC(C)(C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCCC1 ZINC000805610421 1135297136 /nfs/dbraw/zinc/29/71/36/1135297136.db2.gz IYLQAEVKALPLHX-UHFFFAOYSA-N 1 2 344.238 3.594 20 0 EHADLO O=C(Oc1ccc2ccccc2c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001194651349 1135297152 /nfs/dbraw/zinc/29/71/52/1135297152.db2.gz JARXKUDWWCLELG-IBGZPJMESA-N 1 2 334.375 3.887 20 0 EHADLO O=C(Oc1ccc2ccccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001194651350 1135297511 /nfs/dbraw/zinc/29/75/11/1135297511.db2.gz JARXKUDWWCLELG-LJQANCHMSA-N 1 2 334.375 3.887 20 0 EHADLO CC[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000805615604 1135298058 /nfs/dbraw/zinc/29/80/58/1135298058.db2.gz GKOAGMJLVWFOOY-HNNXBMFYSA-N 1 2 337.847 3.719 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000805923733 1135355817 /nfs/dbraw/zinc/35/58/17/1135355817.db2.gz OGUNEPNWCUGXRA-UHFFFAOYSA-N 1 2 348.271 3.507 20 0 EHADLO CC[C@@H](C)OC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001195077955 1135366020 /nfs/dbraw/zinc/36/60/20/1135366020.db2.gz YFEDASYRNMRWNX-CYBMUJFWSA-N 1 2 344.377 3.758 20 0 EHADLO CC[C@@H](C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001195152092 1135382014 /nfs/dbraw/zinc/38/20/14/1135382014.db2.gz UZBFNYDWXSKORN-GFCCVEGCSA-N 1 2 342.842 3.968 20 0 EHADLO CC[N@H+](CCOc1ccccc1C)[C@H](C(=O)OC)c1ccccc1 ZINC001195322752 1135405090 /nfs/dbraw/zinc/40/50/90/1135405090.db2.gz GLVWCHPLFDMYAN-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](CCOc1ccccc1C)[C@H](C(=O)OC)c1ccccc1 ZINC001195322752 1135405094 /nfs/dbraw/zinc/40/50/94/1135405094.db2.gz GLVWCHPLFDMYAN-IBGZPJMESA-N 1 2 327.424 3.610 20 0 EHADLO FC1(F)C[C@H]2C[N@H+](CCc3cccc(Cl)c3Cl)CCN2C1 ZINC001195536999 1135437475 /nfs/dbraw/zinc/43/74/75/1135437475.db2.gz UGIZEIVKIZFPKA-LBPRGKRZSA-N 1 2 335.225 3.561 20 0 EHADLO FC1(F)C[C@H]2C[N@@H+](CCc3cccc(Cl)c3Cl)CCN2C1 ZINC001195536999 1135437478 /nfs/dbraw/zinc/43/74/78/1135437478.db2.gz UGIZEIVKIZFPKA-LBPRGKRZSA-N 1 2 335.225 3.561 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]CCn2cc(Cl)cn2)CCCCCC1 ZINC001195765949 1135461817 /nfs/dbraw/zinc/46/18/17/1135461817.db2.gz BHQTZZMAEQZLDV-UHFFFAOYSA-N 1 2 341.883 3.561 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)[C@H](C)CO1 ZINC001195747625 1135466377 /nfs/dbraw/zinc/46/63/77/1135466377.db2.gz FUXAIUGWFPEDHB-VQIMIIECSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)[C@H](C)CO1 ZINC001195747625 1135466379 /nfs/dbraw/zinc/46/63/79/1135466379.db2.gz FUXAIUGWFPEDHB-VQIMIIECSA-N 1 2 326.440 3.660 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CC[C@@H](SC)C1)Cc1ccccc1Cl ZINC000806944620 1135508069 /nfs/dbraw/zinc/50/80/69/1135508069.db2.gz IIPAARBFRYMRHL-HUUCEWRRSA-N 1 2 340.920 3.562 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CC[C@@H](SC)C1)Cc1ccccc1Cl ZINC000806944620 1135508072 /nfs/dbraw/zinc/50/80/72/1135508072.db2.gz IIPAARBFRYMRHL-HUUCEWRRSA-N 1 2 340.920 3.562 20 0 EHADLO COc1cccc(NC(=S)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001196049376 1135511881 /nfs/dbraw/zinc/51/18/81/1135511881.db2.gz LBNGMNDAOQFGTH-UHFFFAOYSA-N 1 2 338.436 3.749 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H]3C[C@@H]3C(C)C)n2)C1 ZINC000867181670 1135578713 /nfs/dbraw/zinc/57/87/13/1135578713.db2.gz NEZSKBVUYQTGBR-SQNIBIBYSA-N 1 2 341.455 3.711 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H]3C[C@@H]3C(C)C)n2)C1 ZINC000867181670 1135578716 /nfs/dbraw/zinc/57/87/16/1135578716.db2.gz NEZSKBVUYQTGBR-SQNIBIBYSA-N 1 2 341.455 3.711 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001196736027 1135605037 /nfs/dbraw/zinc/60/50/37/1135605037.db2.gz JNKHODMXRIWDLH-CTNGQTDRSA-N 1 2 337.463 3.871 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001196771872 1135613776 /nfs/dbraw/zinc/61/37/76/1135613776.db2.gz HQQXFSROVRQGJI-BXUZGUMPSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001196771872 1135613777 /nfs/dbraw/zinc/61/37/77/1135613777.db2.gz HQQXFSROVRQGJI-BXUZGUMPSA-N 1 2 342.842 3.967 20 0 EHADLO CCCCC[NH+](CCCCC)Cn1nc(C)c2c(C)onc2c1=O ZINC000102652046 1135615643 /nfs/dbraw/zinc/61/56/43/1135615643.db2.gz GFARFKMPSFWJLS-UHFFFAOYSA-N 1 2 334.464 3.641 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000808162490 1135619824 /nfs/dbraw/zinc/61/98/24/1135619824.db2.gz LMWJQRIMMWNATB-MJGOQNOKSA-N 1 2 332.513 3.691 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000808162490 1135619826 /nfs/dbraw/zinc/61/98/26/1135619826.db2.gz LMWJQRIMMWNATB-MJGOQNOKSA-N 1 2 332.513 3.691 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182164 1135627586 /nfs/dbraw/zinc/62/75/86/1135627586.db2.gz FTQODBBEBWNBNG-PZSQYBTKSA-N 1 2 349.478 3.984 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182164 1135627589 /nfs/dbraw/zinc/62/75/89/1135627589.db2.gz FTQODBBEBWNBNG-PZSQYBTKSA-N 1 2 349.478 3.984 20 0 EHADLO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1F ZINC001197092852 1135645078 /nfs/dbraw/zinc/64/50/78/1135645078.db2.gz RDWITCFLMKTUNA-INIZCTEOSA-N 1 2 344.455 3.677 20 0 EHADLO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1F ZINC001197092852 1135645081 /nfs/dbraw/zinc/64/50/81/1135645081.db2.gz RDWITCFLMKTUNA-INIZCTEOSA-N 1 2 344.455 3.677 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)c1ccccc1OC ZINC000808378421 1135656244 /nfs/dbraw/zinc/65/62/44/1135656244.db2.gz NPIDTRINHMREHH-SFHVURJKSA-N 1 2 336.439 3.825 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(OC(C)C)c2)nn1 ZINC000808381111 1135657046 /nfs/dbraw/zinc/65/70/46/1135657046.db2.gz MJZOEEYKJZSFEU-UHFFFAOYSA-N 1 2 336.439 3.653 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnnn2-c2ccccc2)cc1F ZINC000808726663 1135723032 /nfs/dbraw/zinc/72/30/32/1135723032.db2.gz KHBNPGVHOYVLBO-IBGZPJMESA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnnn2-c2ccccc2)cc1F ZINC000808726663 1135723036 /nfs/dbraw/zinc/72/30/36/1135723036.db2.gz KHBNPGVHOYVLBO-IBGZPJMESA-N 1 2 340.377 3.883 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=S)Nc2ccc(C)cc2)CC1 ZINC001197908854 1135754993 /nfs/dbraw/zinc/75/49/93/1135754993.db2.gz BUXVVMPZWCNKSX-UHFFFAOYSA-N 1 2 340.496 3.634 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC001198387342 1135807700 /nfs/dbraw/zinc/80/77/00/1135807700.db2.gz HXKNQBMMQRISSS-FCEWJHQRSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC001198387342 1135807705 /nfs/dbraw/zinc/80/77/05/1135807705.db2.gz HXKNQBMMQRISSS-FCEWJHQRSA-N 1 2 331.456 3.812 20 0 EHADLO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ncc(CN(C)C)s2)cc1 ZINC000809584322 1135858762 /nfs/dbraw/zinc/85/87/62/1135858762.db2.gz WWUGQHLVDAUMPS-UHFFFAOYSA-N 1 2 331.529 3.923 20 0 EHADLO Cc1ccc(C(C)(C)C[N@H+](C)Cc2ncc(CN(C)C)s2)cc1 ZINC000809584322 1135858765 /nfs/dbraw/zinc/85/87/65/1135858765.db2.gz WWUGQHLVDAUMPS-UHFFFAOYSA-N 1 2 331.529 3.923 20 0 EHADLO Cc1ccncc1[C@H](C)[NH2+]Cc1nc2ccccn2c1Br ZINC000809632038 1135863070 /nfs/dbraw/zinc/86/30/70/1135863070.db2.gz LXSLTKPYBLCNFJ-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(OCc2ccccc2)c1 ZINC001131838344 1135879280 /nfs/dbraw/zinc/87/92/80/1135879280.db2.gz BRJVHZFUAWZTIA-UHFFFAOYSA-N 1 2 335.407 3.881 20 0 EHADLO CC[N@H+](Cc1cc2c(C)nn(C)c2nc1Cl)[C@H](C)c1cccnc1 ZINC000809766040 1135888838 /nfs/dbraw/zinc/88/88/38/1135888838.db2.gz SVPHOIVQIGJGGW-CYBMUJFWSA-N 1 2 343.862 3.908 20 0 EHADLO CC[N@@H+](Cc1cc2c(C)nn(C)c2nc1Cl)[C@H](C)c1cccnc1 ZINC000809766040 1135888841 /nfs/dbraw/zinc/88/88/41/1135888841.db2.gz SVPHOIVQIGJGGW-CYBMUJFWSA-N 1 2 343.862 3.908 20 0 EHADLO CC(C)COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cnn(C)n1 ZINC000809972211 1135910668 /nfs/dbraw/zinc/91/06/68/1135910668.db2.gz FSCKNJSHNKMZTE-GOSISDBHSA-N 1 2 330.476 3.727 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810024374 1135911247 /nfs/dbraw/zinc/91/12/47/1135911247.db2.gz HFHXYNOWALKCJH-IEBWSBKVSA-N 1 2 344.499 3.812 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810024374 1135911249 /nfs/dbraw/zinc/91/12/49/1135911249.db2.gz HFHXYNOWALKCJH-IEBWSBKVSA-N 1 2 344.499 3.812 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810027327 1135911790 /nfs/dbraw/zinc/91/17/90/1135911790.db2.gz XAJWHVBJKMHNMS-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810027327 1135911793 /nfs/dbraw/zinc/91/17/93/1135911793.db2.gz XAJWHVBJKMHNMS-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO Cc1ccc(NCc2cccc3[nH+]ccn32)c(OC[C@H]2CCCO2)c1 ZINC001199707805 1135921275 /nfs/dbraw/zinc/92/12/75/1135921275.db2.gz ADKCKPRPBDJYHO-QGZVFWFLSA-N 1 2 337.423 3.813 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000810178134 1135934610 /nfs/dbraw/zinc/93/46/10/1135934610.db2.gz OXEYLLUYVZOODW-UHFFFAOYSA-N 1 2 344.802 3.892 20 0 EHADLO S=C(NC1CCCCCC1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001199969316 1135941603 /nfs/dbraw/zinc/94/16/03/1135941603.db2.gz VAALEIVGAHDSMY-QGZVFWFLSA-N 1 2 333.501 3.522 20 0 EHADLO COc1cccc(CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000776093767 1135953961 /nfs/dbraw/zinc/95/39/61/1135953961.db2.gz FEPSCGRORZOJQU-UHFFFAOYSA-N 1 2 336.391 3.671 20 0 EHADLO Cc1cn2cc(NC(=S)Nc3ccc(-n4cccn4)cc3)ccc2[nH+]1 ZINC001200874094 1135962457 /nfs/dbraw/zinc/96/24/57/1135962457.db2.gz MOONETCJTDUZFU-UHFFFAOYSA-N 1 2 348.435 3.637 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=S)Nc3cccc(Cl)c3)n2c1 ZINC001201110072 1135984381 /nfs/dbraw/zinc/98/43/81/1135984381.db2.gz XEOZEVBMMIWROT-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CO[C@H](C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613760 1135996635 /nfs/dbraw/zinc/99/66/35/1135996635.db2.gz CZVOAWCYKODJAP-ZBFHGGJFSA-N 1 2 349.368 3.945 20 0 EHADLO CO[C@H](C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613760 1135996637 /nfs/dbraw/zinc/99/66/37/1135996637.db2.gz CZVOAWCYKODJAP-ZBFHGGJFSA-N 1 2 349.368 3.945 20 0 EHADLO Cc1cn(-c2cc(Nc3ccc(N)[nH+]c3)cc(C(F)(F)F)c2)cn1 ZINC001201286098 1136001146 /nfs/dbraw/zinc/00/11/46/1136001146.db2.gz WLNJCXRAYRYLGW-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000810755559 1136003142 /nfs/dbraw/zinc/00/31/42/1136003142.db2.gz VLIFPZILNXDJFO-UHFFFAOYSA-N 1 2 342.402 3.565 20 0 EHADLO Cc1cnn(Cc2ccccc2C(F)(F)F)c1Nc1ccc(N)[nH+]c1 ZINC001201279152 1136003692 /nfs/dbraw/zinc/00/36/92/1136003692.db2.gz KENTZDIIYJTHIX-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000810822561 1136008636 /nfs/dbraw/zinc/00/86/36/1136008636.db2.gz VKCACGJKQCBSJJ-HNNXBMFYSA-N 1 2 349.233 3.850 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000810822561 1136008641 /nfs/dbraw/zinc/00/86/41/1136008641.db2.gz VKCACGJKQCBSJJ-HNNXBMFYSA-N 1 2 349.233 3.850 20 0 EHADLO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]c1ccc(N(C)C)cc1 ZINC000121588542 1136035373 /nfs/dbraw/zinc/03/53/73/1136035373.db2.gz PWQNGENPAINWGE-OAHLLOKOSA-N 1 2 341.455 3.511 20 0 EHADLO C[C@H](CCCOc1ccccc1C(N)=O)Nc1ccc([NH+](C)C)cc1 ZINC000121588542 1136035375 /nfs/dbraw/zinc/03/53/75/1136035375.db2.gz PWQNGENPAINWGE-OAHLLOKOSA-N 1 2 341.455 3.511 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](CC2CC2)[C@@H](c2ccccc2F)C1 ZINC001201932705 1136073051 /nfs/dbraw/zinc/07/30/51/1136073051.db2.gz HKJIELMQVHHDFY-QGZVFWFLSA-N 1 2 334.435 3.830 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC2)[C@@H](c2ccccc2F)C1 ZINC001201932705 1136073052 /nfs/dbraw/zinc/07/30/52/1136073052.db2.gz HKJIELMQVHHDFY-QGZVFWFLSA-N 1 2 334.435 3.830 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+]2CCc3c(C)cccc3C2)o1 ZINC001252096756 1136091493 /nfs/dbraw/zinc/09/14/93/1136091493.db2.gz CWFYHEXOPASVFC-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+]2CCc3c(C)cccc3C2)o1 ZINC001252096756 1136091497 /nfs/dbraw/zinc/09/14/97/1136091497.db2.gz CWFYHEXOPASVFC-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000811518418 1136098029 /nfs/dbraw/zinc/09/80/29/1136098029.db2.gz JXZVXSKFEIGLMG-UHFFFAOYSA-N 1 2 345.874 3.692 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000811518418 1136098031 /nfs/dbraw/zinc/09/80/31/1136098031.db2.gz JXZVXSKFEIGLMG-UHFFFAOYSA-N 1 2 345.874 3.692 20 0 EHADLO Fc1ccc(C[NH2+]Cc2ccc(Cl)cn2)c(Br)c1 ZINC000776254767 1136102817 /nfs/dbraw/zinc/10/28/17/1136102817.db2.gz MGPIQYAJNRACJR-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)c(C)c[nH+]1 ZINC001202243774 1136119493 /nfs/dbraw/zinc/11/94/93/1136119493.db2.gz BFXGRMNOEIIPFT-KOMQPUFPSA-N 1 2 327.453 3.565 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1cccc(C(F)(F)F)c1 ZINC001202304448 1136125809 /nfs/dbraw/zinc/12/58/09/1136125809.db2.gz ZEZUDTTWQCZTTN-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000811742648 1136128169 /nfs/dbraw/zinc/12/81/69/1136128169.db2.gz IZUNALJJEQACKR-ZDUSSCGKSA-N 1 2 327.325 3.796 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000811742648 1136128171 /nfs/dbraw/zinc/12/81/71/1136128171.db2.gz IZUNALJJEQACKR-ZDUSSCGKSA-N 1 2 327.325 3.796 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)[C@@H]1C1CC1 ZINC000811746131 1136128815 /nfs/dbraw/zinc/12/88/15/1136128815.db2.gz SCNWKMGAKOKQDS-IAGOWNOFSA-N 1 2 334.410 3.706 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)[C@@H]1C1CC1 ZINC000811746131 1136128817 /nfs/dbraw/zinc/12/88/17/1136128817.db2.gz SCNWKMGAKOKQDS-IAGOWNOFSA-N 1 2 334.410 3.706 20 0 EHADLO Cc1ccc(NC(=O)NCC(F)(F)c2ccccc2C)c(N(C)C)[nH+]1 ZINC001202398067 1136142268 /nfs/dbraw/zinc/14/22/68/1136142268.db2.gz YZTIZUAURZMFDY-UHFFFAOYSA-N 1 2 348.397 3.678 20 0 EHADLO CCCCCCOCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000107566355 1136172986 /nfs/dbraw/zinc/17/29/86/1136172986.db2.gz USILCHSZNMCWEA-UHFFFAOYSA-N 1 2 339.505 3.664 20 0 EHADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OCCCn1cc[nH+]c1 ZINC000812646948 1136232372 /nfs/dbraw/zinc/23/23/72/1136232372.db2.gz QYUJXSWURPBUNB-INIZCTEOSA-N 1 2 336.819 3.573 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1F ZINC000850362159 1136241317 /nfs/dbraw/zinc/24/13/17/1136241317.db2.gz IFQKRLFCKZPZBI-MRXNPFEDSA-N 1 2 336.432 3.815 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC ZINC001170685572 1136243807 /nfs/dbraw/zinc/24/38/07/1136243807.db2.gz PGOIJODBUCMRHQ-PBHICJAKSA-N 1 2 325.399 3.534 20 0 EHADLO O[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Br)c2ccccc21 ZINC000850374279 1136244956 /nfs/dbraw/zinc/24/49/56/1136244956.db2.gz LHCQMLUGLGOHMX-HZPDHXFCSA-N 1 2 336.204 3.856 20 0 EHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)[C@H]1CC=CCC1 ZINC001133449594 1136247907 /nfs/dbraw/zinc/24/79/07/1136247907.db2.gz QBZCANDYDIZEER-IBGZPJMESA-N 1 2 335.451 3.561 20 0 EHADLO CC(C)[C@@H](O)[C@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000850395030 1136248409 /nfs/dbraw/zinc/24/84/09/1136248409.db2.gz MAZPTZOIJLIGBE-HZPDHXFCSA-N 1 2 338.245 3.890 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699104 1136306676 /nfs/dbraw/zinc/30/66/76/1136306676.db2.gz FWZJODUGPREATQ-PBHICJAKSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699104 1136306681 /nfs/dbraw/zinc/30/66/81/1136306681.db2.gz FWZJODUGPREATQ-PBHICJAKSA-N 1 2 333.382 3.741 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(F)c(F)c1 ZINC000776494165 1136307794 /nfs/dbraw/zinc/30/77/94/1136307794.db2.gz KVICGOMYWHYVDH-HNNXBMFYSA-N 1 2 338.423 3.777 20 0 EHADLO Cc1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000851399918 1136376514 /nfs/dbraw/zinc/37/65/14/1136376514.db2.gz KESBRKAXSARIFQ-UHFFFAOYSA-N 1 2 328.387 3.603 20 0 EHADLO CCCc1ncc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000851399185 1136376792 /nfs/dbraw/zinc/37/67/92/1136376792.db2.gz OBDLJMRJPJXKJV-UHFFFAOYSA-N 1 2 345.468 3.564 20 0 EHADLO CCCCSCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399342 1136376914 /nfs/dbraw/zinc/37/69/14/1136376914.db2.gz RQNUEYJUVLIUIJ-UHFFFAOYSA-N 1 2 336.501 3.765 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000814110812 1136405434 /nfs/dbraw/zinc/40/54/34/1136405434.db2.gz GAOZHDBOSOFSGR-LEOMRAHMSA-N 1 2 343.446 3.747 20 0 EHADLO CSc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000851814442 1136410543 /nfs/dbraw/zinc/41/05/43/1136410543.db2.gz PZDBRGIBIDKSPZ-UYAOXDASSA-N 1 2 343.492 3.733 20 0 EHADLO CSc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000851814442 1136410546 /nfs/dbraw/zinc/41/05/46/1136410546.db2.gz PZDBRGIBIDKSPZ-UYAOXDASSA-N 1 2 343.492 3.733 20 0 EHADLO CC[N@H+](CCc1ccccn1)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000851825135 1136411523 /nfs/dbraw/zinc/41/15/23/1136411523.db2.gz UUZPDKLAAVTXGU-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO CC[N@@H+](CCc1ccccn1)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000851825135 1136411524 /nfs/dbraw/zinc/41/15/24/1136411524.db2.gz UUZPDKLAAVTXGU-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1CC(=O)NC(C1CC1)C1CC1 ZINC000851904651 1136418064 /nfs/dbraw/zinc/41/80/64/1136418064.db2.gz YVGXIMPINPJXIS-UHFFFAOYSA-N 1 2 340.471 3.553 20 0 EHADLO CC(=O)Nc1ccc(C)c(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000338942029 1136433808 /nfs/dbraw/zinc/43/38/08/1136433808.db2.gz HLLJRVHJVTZEOQ-UHFFFAOYSA-N 1 2 326.425 3.813 20 0 EHADLO FC(F)OCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000852156815 1136437244 /nfs/dbraw/zinc/43/72/44/1136437244.db2.gz RSJCXGDGMLLPQD-CYBMUJFWSA-N 1 2 329.778 3.983 20 0 EHADLO FC(F)OCC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000852156815 1136437246 /nfs/dbraw/zinc/43/72/46/1136437246.db2.gz RSJCXGDGMLLPQD-CYBMUJFWSA-N 1 2 329.778 3.983 20 0 EHADLO Clc1cccc(SCC[N@@H+]2CCc3cc(Cl)nnc3C2)c1 ZINC000852204637 1136439719 /nfs/dbraw/zinc/43/97/19/1136439719.db2.gz QAWIRGGTSANOBV-UHFFFAOYSA-N 1 2 340.279 3.934 20 0 EHADLO Clc1cccc(SCC[N@H+]2CCc3cc(Cl)nnc3C2)c1 ZINC000852204637 1136439723 /nfs/dbraw/zinc/43/97/23/1136439723.db2.gz QAWIRGGTSANOBV-UHFFFAOYSA-N 1 2 340.279 3.934 20 0 EHADLO CCCCCC[C@H](CC)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000852266762 1136444275 /nfs/dbraw/zinc/44/42/75/1136444275.db2.gz STCLBBVLRZFFCD-IRXDYDNUSA-N 1 2 334.508 3.836 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1C[C@H](O)c1ccccc1F ZINC000852547358 1136464909 /nfs/dbraw/zinc/46/49/09/1136464909.db2.gz NCAFJEBPUGTQJY-OALUTQOASA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@H](O)c1ccccc1F ZINC000852547358 1136464913 /nfs/dbraw/zinc/46/49/13/1136464913.db2.gz NCAFJEBPUGTQJY-OALUTQOASA-N 1 2 347.405 3.850 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)c1ccccn1 ZINC000852549928 1136465549 /nfs/dbraw/zinc/46/55/49/1136465549.db2.gz RHAXVADNGCXQNO-ZWKOTPCHSA-N 1 2 346.858 3.621 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)c1ccccn1 ZINC000852549928 1136465550 /nfs/dbraw/zinc/46/55/50/1136465550.db2.gz RHAXVADNGCXQNO-ZWKOTPCHSA-N 1 2 346.858 3.621 20 0 EHADLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000338951694 1136479212 /nfs/dbraw/zinc/47/92/12/1136479212.db2.gz KOJJLHRPNXFHJN-UHFFFAOYSA-N 1 2 344.528 3.542 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)no1 ZINC000852731453 1136481824 /nfs/dbraw/zinc/48/18/24/1136481824.db2.gz JNNZHDJDIHZZEC-HZPDHXFCSA-N 1 2 337.851 3.694 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc2c(c1)CCCO2 ZINC000852781803 1136486449 /nfs/dbraw/zinc/48/64/49/1136486449.db2.gz GIXAXGJOZHBSLB-LBPRGKRZSA-N 1 2 325.368 3.505 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc2c(c1)CCCO2 ZINC000852783724 1136487210 /nfs/dbraw/zinc/48/72/10/1136487210.db2.gz UCINOFHOTWUMEU-OAHLLOKOSA-N 1 2 349.434 3.836 20 0 EHADLO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC001202486612 1136487827 /nfs/dbraw/zinc/48/78/27/1136487827.db2.gz FDRFSWXROMHLCU-ZDUSSCGKSA-N 1 2 332.275 3.694 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138006000 1136499867 /nfs/dbraw/zinc/49/98/67/1136499867.db2.gz SLIKECAWFNFMLW-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138006000 1136499869 /nfs/dbraw/zinc/49/98/69/1136499869.db2.gz SLIKECAWFNFMLW-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000853124280 1136512397 /nfs/dbraw/zinc/51/23/97/1136512397.db2.gz DQYAMAUKIHZCJF-LBPRGKRZSA-N 1 2 336.220 3.754 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1c(F)cc(F)cc1F ZINC000814925572 1136524889 /nfs/dbraw/zinc/52/48/89/1136524889.db2.gz MUHLJWLRWJXHFW-UHFFFAOYSA-N 1 2 335.333 3.611 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000853489116 1136537225 /nfs/dbraw/zinc/53/72/25/1136537225.db2.gz GLTLOQCFJVMSOQ-MRXNPFEDSA-N 1 2 334.391 3.777 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000853489116 1136537228 /nfs/dbraw/zinc/53/72/28/1136537228.db2.gz GLTLOQCFJVMSOQ-MRXNPFEDSA-N 1 2 334.391 3.777 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(c2ccon2)CC1 ZINC000853592535 1136547836 /nfs/dbraw/zinc/54/78/36/1136547836.db2.gz VTOSINZKMNLYPV-UHFFFAOYSA-N 1 2 333.391 3.625 20 0 EHADLO Cc1cn2c(nc(C)c2C[NH2+]Cc2c(F)cc(F)cc2F)s1 ZINC000815152291 1136557816 /nfs/dbraw/zinc/55/78/16/1136557816.db2.gz LCEAARMQOVCBMA-UHFFFAOYSA-N 1 2 325.359 3.720 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCCC3SCCS3)c21 ZINC000853961048 1136577266 /nfs/dbraw/zinc/57/72/66/1136577266.db2.gz VUTOIEXVVYPRAJ-UHFFFAOYSA-N 1 2 334.445 3.858 20 0 EHADLO Cc1ccc(N2CC[C@H]([N@@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC000854043352 1136583069 /nfs/dbraw/zinc/58/30/69/1136583069.db2.gz IIJLBPISAXQDRO-RBUKOAKNSA-N 1 2 335.451 3.578 20 0 EHADLO Cc1ccc(N2CC[C@H]([N@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC000854043352 1136583071 /nfs/dbraw/zinc/58/30/71/1136583071.db2.gz IIJLBPISAXQDRO-RBUKOAKNSA-N 1 2 335.451 3.578 20 0 EHADLO C/C(=C/C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)(C)C ZINC000854411362 1136614367 /nfs/dbraw/zinc/61/43/67/1136614367.db2.gz PQLWKUQOZOQGNU-SQFISAMPSA-N 1 2 335.517 3.600 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000776744548 1136618224 /nfs/dbraw/zinc/61/82/24/1136618224.db2.gz LAVSIDDKHPRLQU-UHFFFAOYSA-N 1 2 334.206 3.913 20 0 EHADLO Cc1cc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)cc[nH+]1 ZINC000112298716 1136622084 /nfs/dbraw/zinc/62/20/84/1136622084.db2.gz WRWOKTAFGSBKSZ-UHFFFAOYSA-N 1 2 333.432 3.556 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000854574757 1136629170 /nfs/dbraw/zinc/62/91/70/1136629170.db2.gz OQXXAIWSRDAEAY-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)C(C)(C)C)CC2)cc1 ZINC000815700066 1136630985 /nfs/dbraw/zinc/63/09/85/1136630985.db2.gz VGSNGQQYWGRGKO-UHFFFAOYSA-N 1 2 345.531 3.910 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c(=O)c2ccccc12 ZINC000112694758 1136647367 /nfs/dbraw/zinc/64/73/67/1136647367.db2.gz BGYDXZDCJCAFLM-HXUWFJFHSA-N 1 2 335.451 3.992 20 0 EHADLO Cc1nn(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c(=O)c2ccccc12 ZINC000112694758 1136647369 /nfs/dbraw/zinc/64/73/69/1136647369.db2.gz BGYDXZDCJCAFLM-HXUWFJFHSA-N 1 2 335.451 3.992 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1SC(F)(F)F ZINC000776799922 1136680140 /nfs/dbraw/zinc/68/01/40/1136680140.db2.gz OPQFTKOXBJFVFU-AWEZNQCLSA-N 1 2 347.402 3.918 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1SC(F)(F)F ZINC000776799922 1136680141 /nfs/dbraw/zinc/68/01/41/1136680141.db2.gz OPQFTKOXBJFVFU-AWEZNQCLSA-N 1 2 347.402 3.918 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2coc(C3CCCCC3)n2)c1C ZINC000776800852 1136683673 /nfs/dbraw/zinc/68/36/73/1136683673.db2.gz XFDZIRCDIOPJOH-UHFFFAOYSA-N 1 2 343.427 3.673 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC000816398054 1136710076 /nfs/dbraw/zinc/71/00/76/1136710076.db2.gz VOVYWYSWIKDAIS-OAHLLOKOSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC000816398054 1136710079 /nfs/dbraw/zinc/71/00/79/1136710079.db2.gz VOVYWYSWIKDAIS-OAHLLOKOSA-N 1 2 327.428 3.646 20 0 EHADLO CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000855596039 1136711850 /nfs/dbraw/zinc/71/18/50/1136711850.db2.gz QJCUJYLSPYUUPA-OAQYLSRUSA-N 1 2 339.483 3.874 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCCOCC1 ZINC001170824818 1136718271 /nfs/dbraw/zinc/71/82/71/1136718271.db2.gz YFJIBQHSMYJUIT-WMZOPIPTSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCCOCC1 ZINC001170824818 1136718274 /nfs/dbraw/zinc/71/82/74/1136718274.db2.gz YFJIBQHSMYJUIT-WMZOPIPTSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001135583121 1136718358 /nfs/dbraw/zinc/71/83/58/1136718358.db2.gz JJKLVOGAGCVTGM-KRWDZBQOSA-N 1 2 345.446 3.998 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)Cc2[nH]cc[nH+]2)c2cccs2)cc1 ZINC000816823932 1136758033 /nfs/dbraw/zinc/75/80/33/1136758033.db2.gz KPLGJOIQBVLIBD-LJQANCHMSA-N 1 2 339.464 3.872 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H](CC(F)(F)F)C1 ZINC000817124888 1136781716 /nfs/dbraw/zinc/78/17/16/1136781716.db2.gz PHJALQIFPWCNCT-LLVKDONJSA-N 1 2 341.381 3.750 20 0 EHADLO CCCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001135843827 1136786216 /nfs/dbraw/zinc/78/62/16/1136786216.db2.gz CBQKHFDDAYWIRU-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@H](CC)O1 ZINC000817280338 1136791032 /nfs/dbraw/zinc/79/10/32/1136791032.db2.gz CTSCVTXNPCCIFF-BHYGNILZSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@H](CC)O1 ZINC000817280338 1136791034 /nfs/dbraw/zinc/79/10/34/1136791034.db2.gz CTSCVTXNPCCIFF-BHYGNILZSA-N 1 2 329.444 3.995 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC001137655318 1136800208 /nfs/dbraw/zinc/80/02/08/1136800208.db2.gz HMWMIQZDHLSALO-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC001137655318 1136800211 /nfs/dbraw/zinc/80/02/11/1136800211.db2.gz HMWMIQZDHLSALO-DOMZBBRYSA-N 1 2 340.826 3.530 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000856723731 1136803597 /nfs/dbraw/zinc/80/35/97/1136803597.db2.gz FIDICIMZNFFGSP-HNNXBMFYSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000856723731 1136803601 /nfs/dbraw/zinc/80/36/01/1136803601.db2.gz FIDICIMZNFFGSP-HNNXBMFYSA-N 1 2 339.867 3.566 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1cccc(C(F)(F)F)c1 ZINC000856770056 1136809353 /nfs/dbraw/zinc/80/93/53/1136809353.db2.gz JCRHZROQFIUHPX-CYBMUJFWSA-N 1 2 347.768 3.570 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c(Cl)n1 ZINC000856771949 1136809460 /nfs/dbraw/zinc/80/94/60/1136809460.db2.gz OGOGEHAJORYEGN-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CC[C@@](F)(c4ccccc4F)C3)n21 ZINC000339000749 1136827491 /nfs/dbraw/zinc/82/74/91/1136827491.db2.gz VNQHZJDZDYYXSC-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CC[C@@](F)(c4ccccc4F)C3)n21 ZINC000339000749 1136827495 /nfs/dbraw/zinc/82/74/95/1136827495.db2.gz VNQHZJDZDYYXSC-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO COCCOc1cc(N[C@@H](c2ccccc2)C(F)(F)F)cc[nH+]1 ZINC001170882601 1136844597 /nfs/dbraw/zinc/84/45/97/1136844597.db2.gz CYWRLSOVVZQPEY-HNNXBMFYSA-N 1 2 326.318 3.822 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(C(OC)OC)ccc1F)c1nccs1 ZINC000818191736 1136864672 /nfs/dbraw/zinc/86/46/72/1136864672.db2.gz DCPPEFIRTCMVKJ-QGZVFWFLSA-N 1 2 338.448 3.989 20 0 EHADLO O=C(C[NH2+][C@H]1CCc2cccc(Cl)c2C1)OCc1ccccc1 ZINC001170898653 1136870037 /nfs/dbraw/zinc/87/00/37/1136870037.db2.gz XQKWHYAQBXYAAS-INIZCTEOSA-N 1 2 329.827 3.530 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@](C)(CC)c2ccccc2)cs1 ZINC000115617367 1136908474 /nfs/dbraw/zinc/90/84/74/1136908474.db2.gz RFYQBCYERDDOFO-GOSISDBHSA-N 1 2 331.485 3.931 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cccc(C)c2C)c1C ZINC000115670480 1136911727 /nfs/dbraw/zinc/91/17/27/1136911727.db2.gz BHGNETPJXQYOTQ-INIZCTEOSA-N 1 2 341.455 3.884 20 0 EHADLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000857902721 1136919265 /nfs/dbraw/zinc/91/92/65/1136919265.db2.gz XJZYUDJMIMEPEA-ZETCQYMHSA-N 1 2 349.264 3.590 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857986454 1136927471 /nfs/dbraw/zinc/92/74/71/1136927471.db2.gz VLKNVDPXLGYWRX-MSKHEQNASA-N 1 2 335.329 3.566 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(C2SCCCS2)cc1 ZINC000857987841 1136927485 /nfs/dbraw/zinc/92/74/85/1136927485.db2.gz ASMOPYMAZOSIOM-CQSZACIVSA-N 1 2 345.493 3.627 20 0 EHADLO Cc1cccc2c(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)coc21 ZINC000819324251 1136931442 /nfs/dbraw/zinc/93/14/42/1136931442.db2.gz XIVSKVOUGGEILF-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1cccc2c(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)coc21 ZINC000819324251 1136931446 /nfs/dbraw/zinc/93/14/46/1136931446.db2.gz XIVSKVOUGGEILF-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001136212505 1136933010 /nfs/dbraw/zinc/93/30/10/1136933010.db2.gz CQHQVAYMFBDOSD-ZWKOTPCHSA-N 1 2 325.456 3.609 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2nc(C3CC3)[nH+]c(C)c2OC)c1 ZINC001170929578 1136949922 /nfs/dbraw/zinc/94/99/22/1136949922.db2.gz ICPJLZXXSGBRKX-NSHDSACASA-N 1 2 343.427 3.861 20 0 EHADLO C/C=C(/C=C\C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)CC ZINC000819749498 1136960787 /nfs/dbraw/zinc/96/07/87/1136960787.db2.gz SKLHIOCATFXWFF-KSKAMGKLSA-N 1 2 333.501 3.520 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000777029849 1136969199 /nfs/dbraw/zinc/96/91/99/1136969199.db2.gz GBGMGFIBTXYUQV-OAHLLOKOSA-N 1 2 346.390 3.843 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC001136302022 1136976237 /nfs/dbraw/zinc/97/62/37/1136976237.db2.gz VGATZCJMJRDRQT-OAHLLOKOSA-N 1 2 347.459 3.684 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC001136302022 1136976239 /nfs/dbraw/zinc/97/62/39/1136976239.db2.gz VGATZCJMJRDRQT-OAHLLOKOSA-N 1 2 347.459 3.684 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1F ZINC000858635157 1136983721 /nfs/dbraw/zinc/98/37/21/1136983721.db2.gz WNOCKGIRKPWZNU-HZPDHXFCSA-N 1 2 345.418 3.676 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@H](C)c1ccc(F)cc1 ZINC000339013173 1136989193 /nfs/dbraw/zinc/98/91/93/1136989193.db2.gz KBXYHIBUHRCDHB-CQSZACIVSA-N 1 2 346.471 3.855 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2sccc2C1)[C@H](C)c1ccc(F)cc1 ZINC000339013173 1136989196 /nfs/dbraw/zinc/98/91/96/1136989196.db2.gz KBXYHIBUHRCDHB-CQSZACIVSA-N 1 2 346.471 3.855 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(C(F)(F)F)c1 ZINC000858728023 1136989205 /nfs/dbraw/zinc/98/92/05/1136989205.db2.gz SVPIEROXBDWJGR-LLVKDONJSA-N 1 2 345.390 3.808 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)OCc1cccc(Cl)c1 ZINC000858917005 1136996835 /nfs/dbraw/zinc/99/68/35/1136996835.db2.gz DMFWMKJZHTXHBG-UHFFFAOYSA-N 1 2 330.815 3.582 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccnc(F)c1 ZINC000859063059 1137001923 /nfs/dbraw/zinc/00/19/23/1137001923.db2.gz FQOUKAZGQSOYTL-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859063059 1137001924 /nfs/dbraw/zinc/00/19/24/1137001924.db2.gz FQOUKAZGQSOYTL-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccnc(F)c1 ZINC000859191168 1137007251 /nfs/dbraw/zinc/00/72/51/1137007251.db2.gz GLVVXNKPQBMUOO-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccnc(F)c1 ZINC000859191168 1137007253 /nfs/dbraw/zinc/00/72/53/1137007253.db2.gz GLVVXNKPQBMUOO-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO NC(=O)c1coc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)c1 ZINC000820841172 1137008125 /nfs/dbraw/zinc/00/81/25/1137008125.db2.gz ILKPUIWWXHWPFR-KRWDZBQOSA-N 1 2 344.798 3.699 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C23CCC(CC2)C3(C)C)c1C ZINC001136454388 1137030089 /nfs/dbraw/zinc/03/00/89/1137030089.db2.gz WDTDCROOOOXMDE-UHFFFAOYSA-N 1 2 330.472 3.882 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000859951212 1137038314 /nfs/dbraw/zinc/03/83/14/1137038314.db2.gz KRDNLGWITQSHIR-JHJVBQTASA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000859951212 1137038316 /nfs/dbraw/zinc/03/83/16/1137038316.db2.gz KRDNLGWITQSHIR-JHJVBQTASA-N 1 2 343.254 3.552 20 0 EHADLO COc1cccc([C@@H](O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)c1 ZINC000860139538 1137046203 /nfs/dbraw/zinc/04/62/03/1137046203.db2.gz VSEOVSLLFLXOKD-DNXIFWLFSA-N 1 2 330.255 3.760 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)c[nH+]1 ZINC000822018139 1137046239 /nfs/dbraw/zinc/04/62/39/1137046239.db2.gz ZUHJNQBZWOLAHN-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000822063819 1137048421 /nfs/dbraw/zinc/04/84/21/1137048421.db2.gz JKYOFODZLBZQLG-KOMQPUFPSA-N 1 2 335.407 3.590 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCCC2(CCCC2)C1 ZINC000822301510 1137056108 /nfs/dbraw/zinc/05/61/08/1137056108.db2.gz UNAUPQSEVHQSQA-ZDUSSCGKSA-N 1 2 329.366 3.559 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)Cc2ccccc2)c1C ZINC000117637214 1137068583 /nfs/dbraw/zinc/06/85/83/1137068583.db2.gz KFWGYZXETZOCKK-UHFFFAOYSA-N 1 2 326.440 3.592 20 0 EHADLO CC(C)Oc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822733943 1137072236 /nfs/dbraw/zinc/07/22/36/1137072236.db2.gz OVNIVJLADWEUKY-GOSISDBHSA-N 1 2 335.407 3.759 20 0 EHADLO Cc1noc2nc(C)cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(C)c3)c12 ZINC001136625030 1137073169 /nfs/dbraw/zinc/07/31/69/1137073169.db2.gz VBGZFTDHPBAESZ-UHFFFAOYSA-N 1 2 347.378 3.586 20 0 EHADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000860717402 1137074624 /nfs/dbraw/zinc/07/46/24/1137074624.db2.gz BNARXUFGAINEMK-JTQLQIEISA-N 1 2 339.716 3.559 20 0 EHADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000860717402 1137074625 /nfs/dbraw/zinc/07/46/25/1137074625.db2.gz BNARXUFGAINEMK-JTQLQIEISA-N 1 2 339.716 3.559 20 0 EHADLO Cc1cc2c(cc1C)N(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)CC2 ZINC000822863239 1137077915 /nfs/dbraw/zinc/07/79/15/1137077915.db2.gz SPBMHGSXSDKEGJ-HNNXBMFYSA-N 1 2 337.345 3.583 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCn2c(Cl)ccc2[C@@H]1C)n1cc[nH+]c1 ZINC000822974147 1137081409 /nfs/dbraw/zinc/08/14/09/1137081409.db2.gz YRFUVKZSLCKTLQ-DZGCQCFKSA-N 1 2 334.851 3.529 20 0 EHADLO C[C@H](CC(=O)OC[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000861009503 1137087403 /nfs/dbraw/zinc/08/74/03/1137087403.db2.gz HBGDPXZFKKOVEA-OCCSQVGLSA-N 1 2 326.318 3.724 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCc3cc(F)ccc32)n1 ZINC000823224083 1137091451 /nfs/dbraw/zinc/09/14/51/1137091451.db2.gz HJJKANFKSBPCJB-MRXNPFEDSA-N 1 2 347.459 3.793 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2cc3ccccc3s2)n1 ZINC000823396620 1137098033 /nfs/dbraw/zinc/09/80/33/1137098033.db2.gz AKBFAEJZCBEUIN-NSHDSACASA-N 1 2 345.424 3.683 20 0 EHADLO O=C(C[NH2+][C@H]1CCc2c(Cl)cccc2C1)OCc1ccccc1 ZINC001171018562 1137102002 /nfs/dbraw/zinc/10/20/02/1137102002.db2.gz TWNURIFWYZJGLO-INIZCTEOSA-N 1 2 329.827 3.530 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC000861352314 1137102406 /nfs/dbraw/zinc/10/24/06/1137102406.db2.gz YBTGMMJTRPKITA-CQSZACIVSA-N 1 2 349.837 3.551 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000861613594 1137114641 /nfs/dbraw/zinc/11/46/41/1137114641.db2.gz YAYMJUUHQHLCLW-UHFFFAOYSA-N 1 2 348.834 3.640 20 0 EHADLO CS[C@@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136793203 1137118692 /nfs/dbraw/zinc/11/86/92/1137118692.db2.gz YOZKAZBASWXDBN-JKSUJKDBSA-N 1 2 341.480 3.651 20 0 EHADLO COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC000823982132 1137121479 /nfs/dbraw/zinc/12/14/79/1137121479.db2.gz SBNGPOKFZMEINK-KRWDZBQOSA-N 1 2 349.434 3.809 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000824065690 1137123892 /nfs/dbraw/zinc/12/38/92/1137123892.db2.gz BZEHAAJSBNSEHV-CYBMUJFWSA-N 1 2 330.737 3.630 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001136845483 1137129626 /nfs/dbraw/zinc/12/96/26/1137129626.db2.gz OOGWJSNWGZXMDD-QGZVFWFLSA-N 1 2 333.435 3.643 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001136845482 1137129673 /nfs/dbraw/zinc/12/96/73/1137129673.db2.gz OOGWJSNWGZXMDD-KRWDZBQOSA-N 1 2 333.435 3.643 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)C[C@@H]12 ZINC001136856513 1137132548 /nfs/dbraw/zinc/13/25/48/1137132548.db2.gz KOYNKRQSJQUMLU-GXSJLCMTSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)C[C@@H]12 ZINC001136856513 1137132549 /nfs/dbraw/zinc/13/25/49/1137132549.db2.gz KOYNKRQSJQUMLU-GXSJLCMTSA-N 1 2 344.199 3.528 20 0 EHADLO Cc1cccc(N2CCN(Cc3cc4c(cccc4Cl)[nH]3)CC2)[nH+]1 ZINC001136856140 1137132569 /nfs/dbraw/zinc/13/25/69/1137132569.db2.gz AZEXDTKSHXTQGP-UHFFFAOYSA-N 1 2 340.858 3.847 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(F)c2C)C2CC2)c1 ZINC000862220955 1137132766 /nfs/dbraw/zinc/13/27/66/1137132766.db2.gz OKWPPLIKFZRDAD-UHFFFAOYSA-N 1 2 330.403 3.711 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(F)c2C)C2CC2)c1 ZINC000862220955 1137132767 /nfs/dbraw/zinc/13/27/67/1137132767.db2.gz OKWPPLIKFZRDAD-UHFFFAOYSA-N 1 2 330.403 3.711 20 0 EHADLO Clc1cnc2oc(C[N@@H+]3CCC=C(Br)C3)cc2c1 ZINC000824332347 1137132905 /nfs/dbraw/zinc/13/29/05/1137132905.db2.gz IJTXHHMJDSCUIR-UHFFFAOYSA-N 1 2 327.609 3.966 20 0 EHADLO Clc1cnc2oc(C[N@H+]3CCC=C(Br)C3)cc2c1 ZINC000824332347 1137132906 /nfs/dbraw/zinc/13/29/06/1137132906.db2.gz IJTXHHMJDSCUIR-UHFFFAOYSA-N 1 2 327.609 3.966 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@]1(O)C(F)(F)F ZINC001136857949 1137132949 /nfs/dbraw/zinc/13/29/49/1137132949.db2.gz JIVXEEWQZKPGGT-BMIGLBTASA-N 1 2 346.780 3.957 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@]1(O)C(F)(F)F ZINC001136857949 1137132951 /nfs/dbraw/zinc/13/29/51/1137132951.db2.gz JIVXEEWQZKPGGT-BMIGLBTASA-N 1 2 346.780 3.957 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000824362416 1137134778 /nfs/dbraw/zinc/13/47/78/1137134778.db2.gz OQYBGRVRXYOIID-GFCCVEGCSA-N 1 2 348.447 3.693 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000862337214 1137138593 /nfs/dbraw/zinc/13/85/93/1137138593.db2.gz RECITSPOGYNGHT-BLLLJJGKSA-N 1 2 330.255 3.595 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000862337214 1137138595 /nfs/dbraw/zinc/13/85/95/1137138595.db2.gz RECITSPOGYNGHT-BLLLJJGKSA-N 1 2 330.255 3.595 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)nn1 ZINC000862380142 1137141527 /nfs/dbraw/zinc/14/15/27/1137141527.db2.gz ROAARQUQKSHKBO-VIFPVBQESA-N 1 2 330.741 3.703 20 0 EHADLO COCCC1CC[NH+](Cc2cc(Br)cnc2Cl)CC1 ZINC000862436698 1137144270 /nfs/dbraw/zinc/14/42/70/1137144270.db2.gz ITQPHYSBGOIVTH-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO OCC[C@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000824672338 1137147663 /nfs/dbraw/zinc/14/76/63/1137147663.db2.gz AUHAIDJXSSTPKY-HNNXBMFYSA-N 1 2 340.345 3.784 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136932950 1137149214 /nfs/dbraw/zinc/14/92/14/1137149214.db2.gz YYQRTLVXXPPMHL-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136932950 1137149216 /nfs/dbraw/zinc/14/92/16/1137149216.db2.gz YYQRTLVXXPPMHL-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1)C(C)C ZINC001171064908 1137151014 /nfs/dbraw/zinc/15/10/14/1137151014.db2.gz TZFVYWGLEQOKBX-DOMZBBRYSA-N 1 2 330.255 3.638 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@H]3c3ccccc3)c2=S)n1 ZINC000014307738 1137160656 /nfs/dbraw/zinc/16/06/56/1137160656.db2.gz ZIGPGDDOFHLYIW-INIZCTEOSA-N 1 2 339.468 3.672 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@H]3c3ccccc3)c2=S)n1 ZINC000014307738 1137160657 /nfs/dbraw/zinc/16/06/57/1137160657.db2.gz ZIGPGDDOFHLYIW-INIZCTEOSA-N 1 2 339.468 3.672 20 0 EHADLO COc1cc2c(cc1OC)C[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136988894 1137163293 /nfs/dbraw/zinc/16/32/93/1137163293.db2.gz YJEPSCGHXXWFLW-UHFFFAOYSA-N 1 2 326.371 3.840 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1Br ZINC001143813055 1137202970 /nfs/dbraw/zinc/20/29/70/1137202970.db2.gz HZGLPDDASBCQFG-APPZFPTMSA-N 1 2 338.142 3.814 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1Br ZINC001143813055 1137202971 /nfs/dbraw/zinc/20/29/71/1137202971.db2.gz HZGLPDDASBCQFG-APPZFPTMSA-N 1 2 338.142 3.814 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2C[C@H](c3ccccc3)OC2=O)n1 ZINC000863265775 1137178733 /nfs/dbraw/zinc/17/87/33/1137178733.db2.gz VEWJRPOFCIPMFL-RTBURBONSA-N 1 2 337.423 3.678 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2C[C@H](c3ccccc3)OC2=O)n1 ZINC000863265775 1137178735 /nfs/dbraw/zinc/17/87/35/1137178735.db2.gz VEWJRPOFCIPMFL-RTBURBONSA-N 1 2 337.423 3.678 20 0 EHADLO CSCc1nn(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(=S)o1 ZINC000863320379 1137181108 /nfs/dbraw/zinc/18/11/08/1137181108.db2.gz BQMQGEBYJWNYKY-SOUVJXGZSA-N 1 2 347.509 3.762 20 0 EHADLO CSCc1nn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(=S)o1 ZINC000863320379 1137181109 /nfs/dbraw/zinc/18/11/09/1137181109.db2.gz BQMQGEBYJWNYKY-SOUVJXGZSA-N 1 2 347.509 3.762 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341318 1137181618 /nfs/dbraw/zinc/18/16/18/1137181618.db2.gz WHVAAEDERPROKU-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000863341318 1137181619 /nfs/dbraw/zinc/18/16/19/1137181619.db2.gz WHVAAEDERPROKU-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO Cc1c[nH]c(CCNC(=O)[C@H](c2ccccc2)C2CCCCC2)[nH+]1 ZINC001143630752 1137184522 /nfs/dbraw/zinc/18/45/22/1137184522.db2.gz NHHRBZZBVIRYBY-LJQANCHMSA-N 1 2 325.456 3.741 20 0 EHADLO Cc1cnc(C[NH+]2CCC(OC3CCC3)CC2)cc1Br ZINC001143650849 1137186486 /nfs/dbraw/zinc/18/64/86/1137186486.db2.gz RLWHIWUFMNEIKS-UHFFFAOYSA-N 1 2 339.277 3.686 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3c2cccc3Cl)c1C ZINC000119452618 1137186646 /nfs/dbraw/zinc/18/66/46/1137186646.db2.gz WCPDDSVEHWZOSE-UHFFFAOYSA-N 1 2 345.830 3.633 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(SC(F)(F)F)c1 ZINC000863616796 1137194794 /nfs/dbraw/zinc/19/47/94/1137194794.db2.gz NYVCQRMXRFQJOA-UHFFFAOYSA-N 1 2 329.347 3.914 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2cc(N(C)C)cc(Cl)[nH+]2)c1 ZINC001171100504 1137195070 /nfs/dbraw/zinc/19/50/70/1137195070.db2.gz CAKXWNCLHGRLBC-NSHDSACASA-N 1 2 333.819 3.761 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001143768092 1137196910 /nfs/dbraw/zinc/19/69/10/1137196910.db2.gz XZVSIMOMYOCATG-HXUWFJFHSA-N 1 2 328.406 3.688 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001143768092 1137196912 /nfs/dbraw/zinc/19/69/12/1137196912.db2.gz XZVSIMOMYOCATG-HXUWFJFHSA-N 1 2 328.406 3.688 20 0 EHADLO CCc1ccccc1-c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000863659563 1137197415 /nfs/dbraw/zinc/19/74/15/1137197415.db2.gz DORDDTZSICHCHD-KBXCAEBGSA-N 1 2 337.423 3.904 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143823710 1137201802 /nfs/dbraw/zinc/20/18/02/1137201802.db2.gz AQUBZJUWQNVILQ-SNVBAGLBSA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)C1 ZINC001143823710 1137201803 /nfs/dbraw/zinc/20/18/03/1137201803.db2.gz AQUBZJUWQNVILQ-SNVBAGLBSA-N 1 2 334.204 3.727 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+](CCO)Cc2cccs2)c1F ZINC001143831438 1137203788 /nfs/dbraw/zinc/20/37/88/1137203788.db2.gz MZDMEIWULBFLSI-UHFFFAOYSA-N 1 2 343.851 3.934 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+](CCO)Cc2cccs2)c1F ZINC001143831438 1137203790 /nfs/dbraw/zinc/20/37/90/1137203790.db2.gz MZDMEIWULBFLSI-UHFFFAOYSA-N 1 2 343.851 3.934 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CCCC1 ZINC001143853271 1137206072 /nfs/dbraw/zinc/20/60/72/1137206072.db2.gz BJDUJUJFWWXOMW-UHFFFAOYSA-N 1 2 343.826 3.795 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CCCC1 ZINC001143853271 1137206073 /nfs/dbraw/zinc/20/60/73/1137206073.db2.gz BJDUJUJFWWXOMW-UHFFFAOYSA-N 1 2 343.826 3.795 20 0 EHADLO Cc1ccc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(C)c1 ZINC000844265413 1137207232 /nfs/dbraw/zinc/20/72/32/1137207232.db2.gz XVUJBIZLUMDSGE-UHFFFAOYSA-N 1 2 327.424 3.813 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000844301574 1137210463 /nfs/dbraw/zinc/21/04/63/1137210463.db2.gz YFCXAEUHRMAQDP-NEPJUHHUSA-N 1 2 348.353 3.883 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1C ZINC001143925040 1137215704 /nfs/dbraw/zinc/21/57/04/1137215704.db2.gz XNJFBOFFCJAYQF-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1C ZINC001143925040 1137215705 /nfs/dbraw/zinc/21/57/05/1137215705.db2.gz XNJFBOFFCJAYQF-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C)n1cc[nH+]c1 ZINC000844417791 1137219147 /nfs/dbraw/zinc/21/91/47/1137219147.db2.gz PJSWECHJUVWSDG-NEPJUHHUSA-N 1 2 346.818 3.679 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001143982853 1137220720 /nfs/dbraw/zinc/22/07/20/1137220720.db2.gz BTRYPOSHGLVKQS-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001143982853 1137220721 /nfs/dbraw/zinc/22/07/21/1137220721.db2.gz BTRYPOSHGLVKQS-CQSZACIVSA-N 1 2 331.362 3.678 20 0 EHADLO C[N@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684877 1137225975 /nfs/dbraw/zinc/22/59/75/1137225975.db2.gz JWIYGQIAZGWWEL-MRXNPFEDSA-N 1 2 329.419 3.517 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684877 1137225976 /nfs/dbraw/zinc/22/59/76/1137225976.db2.gz JWIYGQIAZGWWEL-MRXNPFEDSA-N 1 2 329.419 3.517 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992113 1137226144 /nfs/dbraw/zinc/22/61/44/1137226144.db2.gz WQAMAZNAFQQXGP-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992113 1137226146 /nfs/dbraw/zinc/22/61/46/1137226146.db2.gz WQAMAZNAFQQXGP-ZDUSSCGKSA-N 1 2 337.769 3.988 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2cc(F)c(OCC)c(F)c2)CC1 ZINC001144030513 1137227742 /nfs/dbraw/zinc/22/77/42/1137227742.db2.gz BCHGKUJOZKKGDU-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO OC[C@H]1CC[N@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144041248 1137230682 /nfs/dbraw/zinc/23/06/82/1137230682.db2.gz JMMRPOQUEHCJSN-QMMMGPOBSA-N 1 2 328.161 3.826 20 0 EHADLO OC[C@H]1CC[N@@H+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)C1 ZINC001144041248 1137230683 /nfs/dbraw/zinc/23/06/83/1137230683.db2.gz JMMRPOQUEHCJSN-QMMMGPOBSA-N 1 2 328.161 3.826 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000844577131 1137237526 /nfs/dbraw/zinc/23/75/26/1137237526.db2.gz HKXXOKREYSRMBJ-NSHDSACASA-N 1 2 340.349 3.558 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139002 1137238210 /nfs/dbraw/zinc/23/82/10/1137238210.db2.gz HOFPXGGJVOAZMW-GXFFZTMASA-N 1 2 330.255 3.780 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000794708165 1137239913 /nfs/dbraw/zinc/23/99/13/1137239913.db2.gz XAISCDAQJZZOMO-CYBMUJFWSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000794708165 1137239914 /nfs/dbraw/zinc/23/99/14/1137239914.db2.gz XAISCDAQJZZOMO-CYBMUJFWSA-N 1 2 331.489 3.718 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144126085 1137242341 /nfs/dbraw/zinc/24/23/41/1137242341.db2.gz YFSZUBBJYYLCCW-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144126085 1137242343 /nfs/dbraw/zinc/24/23/43/1137242343.db2.gz YFSZUBBJYYLCCW-CYBMUJFWSA-N 1 2 343.723 3.898 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)CC12CCCC2 ZINC000844690600 1137244529 /nfs/dbraw/zinc/24/45/29/1137244529.db2.gz YIWQPBQDNSTRKX-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)CC12CCCC2 ZINC000844690600 1137244530 /nfs/dbraw/zinc/24/45/30/1137244530.db2.gz YIWQPBQDNSTRKX-UHFFFAOYSA-N 1 2 326.362 3.640 20 0 EHADLO CCC[NH+](CCC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844681890 1137246559 /nfs/dbraw/zinc/24/65/59/1137246559.db2.gz ASXXGLUKEIQNFC-UHFFFAOYSA-N 1 2 325.865 3.705 20 0 EHADLO C[C@H]1C[N@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)CCC1(F)F ZINC000844708916 1137247190 /nfs/dbraw/zinc/24/71/90/1137247190.db2.gz PRWZQFFJXHXLOF-LBPRGKRZSA-N 1 2 340.801 3.500 20 0 EHADLO C[C@H]1C[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)CCC1(F)F ZINC000844708916 1137247191 /nfs/dbraw/zinc/24/71/91/1137247191.db2.gz PRWZQFFJXHXLOF-LBPRGKRZSA-N 1 2 340.801 3.500 20 0 EHADLO CCn1cc(C[N@H+](Cn2ccc(-c3ccsc3)n2)C(C)C)cn1 ZINC000844736954 1137251128 /nfs/dbraw/zinc/25/11/28/1137251128.db2.gz IPEVEXULWSJJER-UHFFFAOYSA-N 1 2 329.473 3.696 20 0 EHADLO CCn1cc(C[N@@H+](Cn2ccc(-c3ccsc3)n2)C(C)C)cn1 ZINC000844736954 1137251130 /nfs/dbraw/zinc/25/11/30/1137251130.db2.gz IPEVEXULWSJJER-UHFFFAOYSA-N 1 2 329.473 3.696 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@H]1CC1CCCC1 ZINC001144219285 1137253319 /nfs/dbraw/zinc/25/33/19/1137253319.db2.gz LQWWDQJXDWFXOD-KRWDZBQOSA-N 1 2 339.439 3.763 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066722 1137261325 /nfs/dbraw/zinc/26/13/25/1137261325.db2.gz FYDORGJKLFRTDY-NRFANRHFSA-N 1 2 339.483 3.952 20 0 EHADLO O=C(/C(=C\c1ccccc1)C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066688 1137261346 /nfs/dbraw/zinc/26/13/46/1137261346.db2.gz FHEMTBRFYIIFDW-FOWTUZBSSA-N 1 2 349.356 3.693 20 0 EHADLO CC[C@@H](C)Sc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)c(C)c1 ZINC000865070903 1137261519 /nfs/dbraw/zinc/26/15/19/1137261519.db2.gz MIQJYXJMUYKANY-OGZRUICASA-N 1 2 348.512 3.713 20 0 EHADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344979 1137276414 /nfs/dbraw/zinc/27/64/14/1137276414.db2.gz OAYZXVGNTRHXRH-ZDUSSCGKSA-N 1 2 348.368 3.693 20 0 EHADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344979 1137276416 /nfs/dbraw/zinc/27/64/16/1137276416.db2.gz OAYZXVGNTRHXRH-ZDUSSCGKSA-N 1 2 348.368 3.693 20 0 EHADLO COC(=O)c1ccc(-c2nc(Cn3c[nH+]c(C(C)(C)C)c3)co2)cc1 ZINC000865376174 1137278408 /nfs/dbraw/zinc/27/84/08/1137278408.db2.gz CLCYYYUMKWCMAC-UHFFFAOYSA-N 1 2 339.395 3.671 20 0 EHADLO Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC001144378016 1137279066 /nfs/dbraw/zinc/27/90/66/1137279066.db2.gz OXVNCLXJSHJNQH-UHFFFAOYSA-N 1 2 336.357 3.733 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)sc1C ZINC001144378565 1137279288 /nfs/dbraw/zinc/27/92/88/1137279288.db2.gz PWJWRTKTLOMFMA-OKILXGFUSA-N 1 2 336.464 3.790 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)sc1C ZINC001144378565 1137279290 /nfs/dbraw/zinc/27/92/90/1137279290.db2.gz PWJWRTKTLOMFMA-OKILXGFUSA-N 1 2 336.464 3.790 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845280111 1137283380 /nfs/dbraw/zinc/28/33/80/1137283380.db2.gz ROUYANRTFNGQEF-HUUCEWRRSA-N 1 2 343.427 3.530 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Br)ccc1F ZINC000794837006 1137283633 /nfs/dbraw/zinc/28/36/33/1137283633.db2.gz TWXAYBZJRABJAQ-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1nnc2cc(Nc3ccc(N(C)C4CCCCC4)[nH+]c3)ccn12 ZINC001212614146 1137293150 /nfs/dbraw/zinc/29/31/50/1137293150.db2.gz GSBSNCKDSFFTTB-UHFFFAOYSA-N 1 2 336.443 3.945 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2ccccc2OC)c(F)c1 ZINC001144447828 1137295065 /nfs/dbraw/zinc/29/50/65/1137295065.db2.gz UYURSXMGLJKNMY-CYBMUJFWSA-N 1 2 331.387 3.814 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)c(F)c1 ZINC001144447828 1137295067 /nfs/dbraw/zinc/29/50/67/1137295067.db2.gz UYURSXMGLJKNMY-CYBMUJFWSA-N 1 2 331.387 3.814 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845522713 1137296775 /nfs/dbraw/zinc/29/67/75/1137296775.db2.gz LDPYBEWCBQBRBC-GOSISDBHSA-N 1 2 326.440 3.572 20 0 EHADLO Cc1noc(C)c1CCCNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865600793 1137297902 /nfs/dbraw/zinc/29/79/02/1137297902.db2.gz UXBKENADSWSHBK-UHFFFAOYSA-N 1 2 337.427 3.738 20 0 EHADLO Cc1noc(C)c1CCCNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865600793 1137297903 /nfs/dbraw/zinc/29/79/03/1137297903.db2.gz UXBKENADSWSHBK-UHFFFAOYSA-N 1 2 337.427 3.738 20 0 EHADLO C[C@@H](CC(=O)OC[C@H]1CCN(c2ccccc2Cl)C1)n1cc[nH+]c1 ZINC000845580111 1137299563 /nfs/dbraw/zinc/29/95/63/1137299563.db2.gz ZFFXPTBVRRVIMD-GJZGRUSLSA-N 1 2 347.846 3.557 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3ccc(F)cc23)c(F)cc1OC ZINC000865761948 1137309578 /nfs/dbraw/zinc/30/95/78/1137309578.db2.gz SLOQKGAQTSSPJM-UHFFFAOYSA-N 1 2 348.349 3.803 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2ccc(Cl)nc2)c2n1CCCC2 ZINC000865803719 1137312767 /nfs/dbraw/zinc/31/27/67/1137312767.db2.gz IXLHPJUCJVVNOM-UHFFFAOYSA-N 1 2 344.768 3.576 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000865805154 1137313271 /nfs/dbraw/zinc/31/32/71/1137313271.db2.gz SFGQEXRZXWRWQW-HXUWFJFHSA-N 1 2 327.472 3.685 20 0 EHADLO CCCO[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144587684 1137313288 /nfs/dbraw/zinc/31/32/88/1137313288.db2.gz DFMWKLDSZUEFNN-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO CCCO[C@@H]1CC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144587684 1137313289 /nfs/dbraw/zinc/31/32/89/1137313289.db2.gz DFMWKLDSZUEFNN-CYBMUJFWSA-N 1 2 330.241 3.898 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2CCc3ccccc3[C@@H]2C)n1 ZINC001144591762 1137314061 /nfs/dbraw/zinc/31/40/61/1137314061.db2.gz JGPGHORWIZDYSM-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2CCc3ccccc3[C@@H]2C)n1 ZINC001144591762 1137314064 /nfs/dbraw/zinc/31/40/64/1137314064.db2.gz JGPGHORWIZDYSM-LBPRGKRZSA-N 1 2 347.256 3.972 20 0 EHADLO Fc1ccc2c(c1)onc2C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000865836298 1137315409 /nfs/dbraw/zinc/31/54/09/1137315409.db2.gz ZPBMQXUYYQCFHA-UHFFFAOYSA-N 1 2 343.377 3.996 20 0 EHADLO CCOc1cc(F)cc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000865848918 1137316168 /nfs/dbraw/zinc/31/61/68/1137316168.db2.gz QSOHAJACXZKGNR-UHFFFAOYSA-N 1 2 345.237 3.733 20 0 EHADLO FC1(F)C(F)(F)C12CC[NH+](Cc1occc1Br)CC2 ZINC000846015180 1137326051 /nfs/dbraw/zinc/32/60/51/1137326051.db2.gz KMHKEOARGQNFBY-UHFFFAOYSA-N 1 2 342.130 3.909 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000866199547 1137334958 /nfs/dbraw/zinc/33/49/58/1137334958.db2.gz MGLWCQXIXUGSHP-RXVVDRJESA-N 1 2 341.499 3.727 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)CCC(=O)N2 ZINC000866236654 1137337681 /nfs/dbraw/zinc/33/76/81/1137337681.db2.gz DKLYNTGAAHCNBZ-SLSDUTBNSA-N 1 2 340.398 3.694 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)nc1 ZINC001144732150 1137339472 /nfs/dbraw/zinc/33/94/72/1137339472.db2.gz NUMVXXJIUZLCRC-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)nc1 ZINC001144732150 1137339474 /nfs/dbraw/zinc/33/94/74/1137339474.db2.gz NUMVXXJIUZLCRC-ZDUSSCGKSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)C(=O)N(C)C1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144732053 1137339605 /nfs/dbraw/zinc/33/96/05/1137339605.db2.gz KFJPJMLILRUPPW-UHFFFAOYSA-N 1 2 344.833 3.697 20 0 EHADLO CCc1ccc(N(CC2CC2)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000846239122 1137343078 /nfs/dbraw/zinc/34/30/78/1137343078.db2.gz GLBBWKGICCIVIL-UHFFFAOYSA-N 1 2 337.467 3.768 20 0 EHADLO Clc1cccnc1N1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144743177 1137343281 /nfs/dbraw/zinc/34/32/81/1137343281.db2.gz CMWXGNOMALWLFC-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H]2c3ccccc3OC[C@H]2F)C2CC2)cn1 ZINC000866398972 1137352024 /nfs/dbraw/zinc/35/20/24/1137352024.db2.gz NZDNIJZOKBRJMF-ATZDWAIDSA-N 1 2 328.387 3.603 20 0 EHADLO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866568646 1137365526 /nfs/dbraw/zinc/36/55/26/1137365526.db2.gz ZXMJSLPJMAAPCR-SECBINFHSA-N 1 2 329.778 3.871 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846901531 1137374786 /nfs/dbraw/zinc/37/47/86/1137374786.db2.gz OCAFJZGSXYTVEE-GOSISDBHSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccc4nonc4c3)nc2c1 ZINC000846901531 1137374787 /nfs/dbraw/zinc/37/47/87/1137374787.db2.gz OCAFJZGSXYTVEE-GOSISDBHSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3ccc4nonc4c3)[nH]c2c1 ZINC000846901531 1137374788 /nfs/dbraw/zinc/37/47/88/1137374788.db2.gz OCAFJZGSXYTVEE-GOSISDBHSA-N 1 2 333.395 3.745 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3ccc4nonc4c3)[nH]c2c1 ZINC000846901531 1137374789 /nfs/dbraw/zinc/37/47/89/1137374789.db2.gz OCAFJZGSXYTVEE-GOSISDBHSA-N 1 2 333.395 3.745 20 0 EHADLO CC(=O)C1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000846957480 1137379072 /nfs/dbraw/zinc/37/90/72/1137379072.db2.gz LDJGYPUEBZZHBB-UHFFFAOYSA-N 1 2 327.428 3.661 20 0 EHADLO C/C(=C/c1ccco1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000846999539 1137381199 /nfs/dbraw/zinc/38/11/99/1137381199.db2.gz PLNVYBFZJIKLMZ-SQFISAMPSA-N 1 2 339.439 3.622 20 0 EHADLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846999226 1137381206 /nfs/dbraw/zinc/38/12/06/1137381206.db2.gz GUBQLHATAMQZOI-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846999226 1137381208 /nfs/dbraw/zinc/38/12/08/1137381208.db2.gz GUBQLHATAMQZOI-AWEZNQCLSA-N 1 2 335.810 3.621 20 0 EHADLO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867939690 1137390546 /nfs/dbraw/zinc/39/05/46/1137390546.db2.gz IWKAXEJSDARNGZ-IAGOWNOFSA-N 1 2 349.862 3.732 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000867976239 1137392178 /nfs/dbraw/zinc/39/21/78/1137392178.db2.gz HARGNBRCJBGOGC-GFCCVEGCSA-N 1 2 349.887 3.503 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC001148637929 1137430497 /nfs/dbraw/zinc/43/04/97/1137430497.db2.gz OQZMFFANULDRPH-AWEZNQCLSA-N 1 2 329.469 3.930 20 0 EHADLO Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)s1 ZINC001148637929 1137430498 /nfs/dbraw/zinc/43/04/98/1137430498.db2.gz OQZMFFANULDRPH-AWEZNQCLSA-N 1 2 329.469 3.930 20 0 EHADLO COC(=O)Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001212617867 1137435098 /nfs/dbraw/zinc/43/50/98/1137435098.db2.gz DLQDWFRQQXDKLE-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3ncnn3C(C)(C)C)s2)cc1 ZINC000282725380 1137442063 /nfs/dbraw/zinc/44/20/63/1137442063.db2.gz QPFLBHGXUDADAG-UHFFFAOYSA-N 1 2 341.484 3.755 20 0 EHADLO Cc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282778527 1137450058 /nfs/dbraw/zinc/45/00/58/1137450058.db2.gz IJMUVQLKHYAOCT-MRXNPFEDSA-N 1 2 338.455 3.939 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795076110 1137451012 /nfs/dbraw/zinc/45/10/12/1137451012.db2.gz SBGYUWQNHMVFOZ-LRDDRELGSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795076110 1137451014 /nfs/dbraw/zinc/45/10/14/1137451014.db2.gz SBGYUWQNHMVFOZ-LRDDRELGSA-N 1 2 329.362 3.836 20 0 EHADLO CC(C)(O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000716372554 1137487133 /nfs/dbraw/zinc/48/71/33/1137487133.db2.gz ILFJBPFBBAQNMH-UHFFFAOYSA-N 1 2 330.241 3.571 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCc3c2c(F)ccc3F)nc2cc(F)ccc21 ZINC000773003843 1137458162 /nfs/dbraw/zinc/45/81/62/1137458162.db2.gz XXWJVNDRJURFOW-AWEZNQCLSA-N 1 2 331.341 3.768 20 0 EHADLO COc1c[nH+]c(NCc2cccc3sccc32)nc1NC1CC1 ZINC001171376096 1137462572 /nfs/dbraw/zinc/46/25/72/1137462572.db2.gz NMKJDFVCPCKJOI-UHFFFAOYSA-N 1 2 326.425 3.886 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000713630147 1137470493 /nfs/dbraw/zinc/47/04/93/1137470493.db2.gz RCVQFWWRIGINPN-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO Clc1ccc(Br)c2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000339096445 1137472817 /nfs/dbraw/zinc/47/28/17/1137472817.db2.gz UFMHPGZQPWZROM-JTQLQIEISA-N 1 2 330.653 3.640 20 0 EHADLO Clc1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000339096445 1137472819 /nfs/dbraw/zinc/47/28/19/1137472819.db2.gz UFMHPGZQPWZROM-JTQLQIEISA-N 1 2 330.653 3.640 20 0 EHADLO O=C(Nc1nc(C2CCCCCC2)cs1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171422005 1137478295 /nfs/dbraw/zinc/47/82/95/1137478295.db2.gz NVIXYUPBYWQESM-CQSZACIVSA-N 1 2 344.484 3.979 20 0 EHADLO COc1cccnc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000870349349 1137489555 /nfs/dbraw/zinc/48/95/55/1137489555.db2.gz LMEAZRYMNZHEAD-UHFFFAOYSA-N 1 2 349.390 3.509 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC2(F)F)C[C@H]1C(C)(C)C ZINC001171586536 1137496825 /nfs/dbraw/zinc/49/68/25/1137496825.db2.gz RBKLXYKAWQTPSZ-XQQFMLRXSA-N 1 2 332.435 3.798 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1ccsc1C(F)(F)F ZINC000870574998 1137499565 /nfs/dbraw/zinc/49/95/65/1137499565.db2.gz VROOUROBZCXYGV-UHFFFAOYSA-N 1 2 344.358 3.586 20 0 EHADLO CCO[C@@H](C[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC001171718405 1137505709 /nfs/dbraw/zinc/50/57/09/1137505709.db2.gz FNHUDGYZSVDXQR-INIZCTEOSA-N 1 2 325.493 3.826 20 0 EHADLO CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001171734309 1137510107 /nfs/dbraw/zinc/51/01/07/1137510107.db2.gz FOODFTISVWFDQV-INIZCTEOSA-N 1 2 329.444 3.553 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC(F)(C3CC3)C2)CC12CCC2 ZINC001171846257 1137515863 /nfs/dbraw/zinc/51/58/63/1137515863.db2.gz ULAXDNGDFKGJQL-HNNXBMFYSA-N 1 2 338.467 3.743 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001171860083 1137516282 /nfs/dbraw/zinc/51/62/82/1137516282.db2.gz CXURIFJRXUOOHG-GOSISDBHSA-N 1 2 343.858 3.688 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001171860083 1137516283 /nfs/dbraw/zinc/51/62/83/1137516283.db2.gz CXURIFJRXUOOHG-GOSISDBHSA-N 1 2 343.858 3.688 20 0 EHADLO C[C@@H]1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888459 1137517079 /nfs/dbraw/zinc/51/70/79/1137517079.db2.gz MRUJVLXJQJPWCD-WBVHZDCISA-N 1 2 336.426 3.658 20 0 EHADLO C[C@@H]1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888459 1137517081 /nfs/dbraw/zinc/51/70/81/1137517081.db2.gz MRUJVLXJQJPWCD-WBVHZDCISA-N 1 2 336.426 3.658 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060481 1137522497 /nfs/dbraw/zinc/52/24/97/1137522497.db2.gz SVAZJCMYKDUTOF-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060481 1137522499 /nfs/dbraw/zinc/52/24/99/1137522499.db2.gz SVAZJCMYKDUTOF-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133271 1137535973 /nfs/dbraw/zinc/53/59/73/1137535973.db2.gz QTZYIMPDCCIQCR-BCDXTJNWSA-N 1 2 344.474 3.736 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000871461857 1137542491 /nfs/dbraw/zinc/54/24/91/1137542491.db2.gz APSNDJZQVBWTJS-GFCCVEGCSA-N 1 2 345.399 3.541 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000871461857 1137542493 /nfs/dbraw/zinc/54/24/93/1137542493.db2.gz APSNDJZQVBWTJS-GFCCVEGCSA-N 1 2 345.399 3.541 20 0 EHADLO CCOCC[C@@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OC(C)(C)C ZINC001172418230 1137556268 /nfs/dbraw/zinc/55/62/68/1137556268.db2.gz CLUXUSSVSSHNGV-AEFFLSMTSA-N 1 2 335.488 3.734 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(O)c1F ZINC000872059825 1137568707 /nfs/dbraw/zinc/56/87/07/1137568707.db2.gz LGOTXPIXBOBNRG-MJBXVCDLSA-N 1 2 345.418 3.713 20 0 EHADLO CCSCCCc1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872180429 1137575433 /nfs/dbraw/zinc/57/54/33/1137575433.db2.gz QEGCVTKZRIXNAL-CYBMUJFWSA-N 1 2 345.390 3.822 20 0 EHADLO C[C@@H]1CCN(c2nc(Cl)nc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000872481342 1137580704 /nfs/dbraw/zinc/58/07/04/1137580704.db2.gz GKBGQMAEVNELCQ-PWSUYJOCSA-N 1 2 333.848 3.629 20 0 EHADLO O=C1N(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CCC12CCCC2 ZINC000872594980 1137581724 /nfs/dbraw/zinc/58/17/24/1137581724.db2.gz CTQSUACNHKEUJN-UHFFFAOYSA-N 1 2 345.874 3.574 20 0 EHADLO O=C1N(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CCC12CCCC2 ZINC000872594980 1137581725 /nfs/dbraw/zinc/58/17/25/1137581725.db2.gz CTQSUACNHKEUJN-UHFFFAOYSA-N 1 2 345.874 3.574 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(SC)CC2)C1 ZINC000872627354 1137582101 /nfs/dbraw/zinc/58/21/01/1137582101.db2.gz ABUNMGVDVUOTBK-CYBMUJFWSA-N 1 2 340.558 3.600 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(C(C)=O)CC1 ZINC000872668482 1137582600 /nfs/dbraw/zinc/58/26/00/1137582600.db2.gz KUVXOXOTUNYDND-UHFFFAOYSA-N 1 2 340.423 3.525 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2cccc(OC(C)(C)C)c2)c1 ZINC000872704690 1137582956 /nfs/dbraw/zinc/58/29/56/1137582956.db2.gz ATXJCHOIORNWNL-UHFFFAOYSA-N 1 2 328.412 3.587 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000872804294 1137584667 /nfs/dbraw/zinc/58/46/67/1137584667.db2.gz JMCVYRVROVTEOO-ZFWWWQNUSA-N 1 2 346.780 3.845 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000872804294 1137584668 /nfs/dbraw/zinc/58/46/68/1137584668.db2.gz JMCVYRVROVTEOO-ZFWWWQNUSA-N 1 2 346.780 3.845 20 0 EHADLO CCOc1cccc(F)c1C[NH2+][C@H]1CCOc2cc(OC)ccc21 ZINC000873061288 1137589238 /nfs/dbraw/zinc/58/92/38/1137589238.db2.gz IABOXFVFQQIQNM-KRWDZBQOSA-N 1 2 331.387 3.846 20 0 EHADLO CCOc1cccc(F)c1C[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000873132862 1137591009 /nfs/dbraw/zinc/59/10/09/1137591009.db2.gz ILIWVGHORYPTOW-MRXNPFEDSA-N 1 2 331.387 3.846 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)s1 ZINC000873176648 1137592706 /nfs/dbraw/zinc/59/27/06/1137592706.db2.gz RUXMNYZAVQXHRN-UHFFFAOYSA-N 1 2 335.379 3.929 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)occ2C(F)(F)F)c1C ZINC000874256100 1137612282 /nfs/dbraw/zinc/61/22/82/1137612282.db2.gz HLLROAADXUFPHV-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(Cc2ccccc2)CCCC1 ZINC000874710658 1137621595 /nfs/dbraw/zinc/62/15/95/1137621595.db2.gz ARNQBFYCPNYZDC-INIZCTEOSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(Cc2ccccc2)CCCC1 ZINC000874710658 1137621596 /nfs/dbraw/zinc/62/15/96/1137621596.db2.gz ARNQBFYCPNYZDC-INIZCTEOSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(Cc2ccccc2)CCCC1 ZINC000874710659 1137621623 /nfs/dbraw/zinc/62/16/23/1137621623.db2.gz ARNQBFYCPNYZDC-MRXNPFEDSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(Cc2ccccc2)CCCC1 ZINC000874710659 1137621624 /nfs/dbraw/zinc/62/16/24/1137621624.db2.gz ARNQBFYCPNYZDC-MRXNPFEDSA-N 1 2 325.456 3.602 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)C1(Cc2ccccc2)CCCC1 ZINC000874712834 1137621690 /nfs/dbraw/zinc/62/16/90/1137621690.db2.gz BOCMPZUCTSYVBE-UHFFFAOYSA-N 1 2 325.456 3.677 20 0 EHADLO Cc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc1Br ZINC001137616669 1137629330 /nfs/dbraw/zinc/62/93/30/1137629330.db2.gz WHYBIEBTPQCPCB-LBPRGKRZSA-N 1 2 330.266 3.787 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1Br ZINC000876535030 1137654913 /nfs/dbraw/zinc/65/49/13/1137654913.db2.gz JWOJIHZXNHVJBL-JTQLQIEISA-N 1 2 337.183 3.927 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1Br ZINC000876535030 1137654914 /nfs/dbraw/zinc/65/49/14/1137654914.db2.gz JWOJIHZXNHVJBL-JTQLQIEISA-N 1 2 337.183 3.927 20 0 EHADLO Clc1cncc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000876650443 1137658121 /nfs/dbraw/zinc/65/81/21/1137658121.db2.gz SSQBUBNAJTWPTH-CYBMUJFWSA-N 1 2 345.270 3.548 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OC(F)F)cc1F)n2C ZINC000877400426 1137675387 /nfs/dbraw/zinc/67/53/87/1137675387.db2.gz UBIBMJXZIZDLKJ-UHFFFAOYSA-N 1 2 349.356 3.912 20 0 EHADLO O=C(C1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1)C(F)(F)F ZINC000877419589 1137675933 /nfs/dbraw/zinc/67/59/33/1137675933.db2.gz FMEKOYFDYPQZFQ-UHFFFAOYSA-N 1 2 346.736 3.825 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cc4c(cc[nH]c4=O)o3)CCO2)cc1 ZINC000877472547 1137677375 /nfs/dbraw/zinc/67/73/75/1137677375.db2.gz WJKRZWHWBAZEKR-IBGZPJMESA-N 1 2 338.407 3.669 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc4c(cc[nH]c4=O)o3)CCO2)cc1 ZINC000877472547 1137677376 /nfs/dbraw/zinc/67/73/76/1137677376.db2.gz WJKRZWHWBAZEKR-IBGZPJMESA-N 1 2 338.407 3.669 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3nc4ccccc4o3)C2=O)c(C)c1 ZINC000877471569 1137677475 /nfs/dbraw/zinc/67/74/75/1137677475.db2.gz YTNWJTMCJNZCME-QGZVFWFLSA-N 1 2 349.434 3.648 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H](C)[S@@]1=O ZINC000877516067 1137679264 /nfs/dbraw/zinc/67/92/64/1137679264.db2.gz BLFJXUGOLBBELD-ANFZBRINSA-N 1 2 342.917 3.681 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H](C)[S@@]1=O ZINC000877516067 1137679265 /nfs/dbraw/zinc/67/92/65/1137679265.db2.gz BLFJXUGOLBBELD-ANFZBRINSA-N 1 2 342.917 3.681 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1Br ZINC000877524522 1137679489 /nfs/dbraw/zinc/67/94/89/1137679489.db2.gz ZHEFKEUDLCHQMT-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1Br ZINC000877524522 1137679490 /nfs/dbraw/zinc/67/94/90/1137679490.db2.gz ZHEFKEUDLCHQMT-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO COC(=O)[C@H](C)c1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000877588355 1137682199 /nfs/dbraw/zinc/68/21/99/1137682199.db2.gz OVTMVDDBQQOKCT-CYBMUJFWSA-N 1 2 328.412 3.596 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1csnn1 ZINC000877590055 1137682241 /nfs/dbraw/zinc/68/22/41/1137682241.db2.gz PAPKFOXUACOWNC-LLVKDONJSA-N 1 2 334.445 3.736 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccc(Cl)c(F)c1 ZINC000877664649 1137684976 /nfs/dbraw/zinc/68/49/76/1137684976.db2.gz VKOYNYYJJBZESO-LLVKDONJSA-N 1 2 335.231 3.802 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(CCF)CC2)c1Cl ZINC000877675169 1137685414 /nfs/dbraw/zinc/68/54/14/1137685414.db2.gz XFGKDVOGAJDSAT-UHFFFAOYSA-N 1 2 327.753 3.664 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2nc3ccccc3nc2C)CCO1 ZINC000877756061 1137688069 /nfs/dbraw/zinc/68/80/69/1137688069.db2.gz OZNFUGLDCDPGGQ-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2nc3ccccc3nc2C)CCO1 ZINC000877756061 1137688070 /nfs/dbraw/zinc/68/80/70/1137688070.db2.gz OZNFUGLDCDPGGQ-NRFANRHFSA-N 1 2 349.434 3.520 20 0 EHADLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCOC1(CCCC1)C2 ZINC000877853930 1137693490 /nfs/dbraw/zinc/69/34/90/1137693490.db2.gz OQNNWJKVEQVRHM-HXUWFJFHSA-N 1 2 334.504 3.741 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cccc(F)c2F)c1C ZINC000126771157 1137694620 /nfs/dbraw/zinc/69/46/20/1137694620.db2.gz ZLUKGMZZQBSFKX-LBPRGKRZSA-N 1 2 349.381 3.546 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000877915591 1137695426 /nfs/dbraw/zinc/69/54/26/1137695426.db2.gz XAZGEXGRRXGXRR-INIZCTEOSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000877915591 1137695427 /nfs/dbraw/zinc/69/54/27/1137695427.db2.gz XAZGEXGRRXGXRR-INIZCTEOSA-N 1 2 327.465 3.566 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1scnc1Cl ZINC000877943579 1137696487 /nfs/dbraw/zinc/69/64/87/1137696487.db2.gz KTPPQEDPHCZBAW-NSHDSACASA-N 1 2 333.848 3.570 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1scnc1Cl ZINC000877943579 1137696488 /nfs/dbraw/zinc/69/64/88/1137696488.db2.gz KTPPQEDPHCZBAW-NSHDSACASA-N 1 2 333.848 3.570 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)co1 ZINC000877972055 1137697569 /nfs/dbraw/zinc/69/75/69/1137697569.db2.gz VBLUEBWLRBQOGW-MRXNPFEDSA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)co1 ZINC000877972055 1137697570 /nfs/dbraw/zinc/69/75/70/1137697570.db2.gz VBLUEBWLRBQOGW-MRXNPFEDSA-N 1 2 339.395 3.984 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000878178845 1137705914 /nfs/dbraw/zinc/70/59/14/1137705914.db2.gz IMJHRDDNGSXDPH-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000878178845 1137705915 /nfs/dbraw/zinc/70/59/15/1137705915.db2.gz IMJHRDDNGSXDPH-LBPRGKRZSA-N 1 2 326.893 3.803 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878185580 1137706332 /nfs/dbraw/zinc/70/63/32/1137706332.db2.gz AMWWICNFIXWVNA-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878185580 1137706333 /nfs/dbraw/zinc/70/63/33/1137706333.db2.gz AMWWICNFIXWVNA-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338216 1137711521 /nfs/dbraw/zinc/71/15/21/1137711521.db2.gz YNEIUHHMPUANEE-ZIAGYGMSSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338216 1137711522 /nfs/dbraw/zinc/71/15/22/1137711522.db2.gz YNEIUHHMPUANEE-ZIAGYGMSSA-N 1 2 326.227 3.587 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC000878351464 1137711989 /nfs/dbraw/zinc/71/19/89/1137711989.db2.gz YQJUEULVUACACR-MRXNPFEDSA-N 1 2 341.238 3.610 20 0 EHADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1scnc1Cl)c1ccccc1 ZINC000878401138 1137714351 /nfs/dbraw/zinc/71/43/51/1137714351.db2.gz OSGCKXSEAQBZBC-ZDUSSCGKSA-N 1 2 338.860 3.969 20 0 EHADLO CO[C@@]1(C)CCC[N@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878540014 1137719443 /nfs/dbraw/zinc/71/94/43/1137719443.db2.gz BWIVBDVTMXYTEA-ZDUSSCGKSA-N 1 2 333.295 3.605 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878540014 1137719444 /nfs/dbraw/zinc/71/94/44/1137719444.db2.gz BWIVBDVTMXYTEA-ZDUSSCGKSA-N 1 2 333.295 3.605 20 0 EHADLO OC[C@@]1([NH2+]Cc2c(Cl)cncc2Cl)CCCc2ccccc21 ZINC000878555084 1137720090 /nfs/dbraw/zinc/72/00/90/1137720090.db2.gz PSNSYALYMDIYGL-KRWDZBQOSA-N 1 2 337.250 3.702 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)nc1Cl ZINC000878559959 1137720177 /nfs/dbraw/zinc/72/01/77/1137720177.db2.gz AVHOZQHOFLQCHV-HNNXBMFYSA-N 1 2 345.874 3.695 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)nc1Cl ZINC000878559959 1137720178 /nfs/dbraw/zinc/72/01/78/1137720178.db2.gz AVHOZQHOFLQCHV-HNNXBMFYSA-N 1 2 345.874 3.695 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CCC1 ZINC000878651066 1137723757 /nfs/dbraw/zinc/72/37/57/1137723757.db2.gz TYZYPHGCMSBDPG-IBGZPJMESA-N 1 2 326.440 3.547 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000878770901 1137727772 /nfs/dbraw/zinc/72/77/72/1137727772.db2.gz XRYRCUUJDSUMCZ-SFHVURJKSA-N 1 2 347.524 3.983 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000878770901 1137727773 /nfs/dbraw/zinc/72/77/73/1137727773.db2.gz XRYRCUUJDSUMCZ-SFHVURJKSA-N 1 2 347.524 3.983 20 0 EHADLO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921262 1137732179 /nfs/dbraw/zinc/73/21/79/1137732179.db2.gz OIXABWAZRVOPTN-CHWSQXEVSA-N 1 2 343.393 3.980 20 0 EHADLO CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921262 1137732180 /nfs/dbraw/zinc/73/21/80/1137732180.db2.gz OIXABWAZRVOPTN-CHWSQXEVSA-N 1 2 343.393 3.980 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326075 1137744620 /nfs/dbraw/zinc/74/46/20/1137744620.db2.gz PLLWJHVYQGRUKT-MNOVXSKESA-N 1 2 339.798 3.528 20 0 EHADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326075 1137744621 /nfs/dbraw/zinc/74/46/21/1137744621.db2.gz PLLWJHVYQGRUKT-MNOVXSKESA-N 1 2 339.798 3.528 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552266 1137750658 /nfs/dbraw/zinc/75/06/58/1137750658.db2.gz VLLDNZXDRRYHCC-HNNXBMFYSA-N 1 2 349.475 3.637 20 0 EHADLO CN(C)c1cc(CSCC2CCN(C(=O)C(C)(C)C)CC2)cc[nH+]1 ZINC000127860522 1137751713 /nfs/dbraw/zinc/75/17/13/1137751713.db2.gz KTSZTNPTXCADCL-UHFFFAOYSA-N 1 2 349.544 3.666 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccnn1C ZINC000879683612 1137755170 /nfs/dbraw/zinc/75/51/70/1137755170.db2.gz BHVHLZLVAHDWSW-QWRGUYRKSA-N 1 2 331.807 3.535 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1nnnn1C1CCCCC1 ZINC000879715452 1137756401 /nfs/dbraw/zinc/75/64/01/1137756401.db2.gz WXWXJXINONAVSU-QWHCGFSZSA-N 1 2 340.431 3.731 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000879782035 1137758662 /nfs/dbraw/zinc/75/86/62/1137758662.db2.gz NRTRRCGTADWOLG-ZWKOTPCHSA-N 1 2 337.467 3.636 20 0 EHADLO CC(C)c1ncsc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000879816093 1137759588 /nfs/dbraw/zinc/75/95/88/1137759588.db2.gz OKBNOQXGWMIHQP-AWEZNQCLSA-N 1 2 330.457 3.575 20 0 EHADLO CC(C)c1ncsc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000879816093 1137759589 /nfs/dbraw/zinc/75/95/89/1137759589.db2.gz OKBNOQXGWMIHQP-AWEZNQCLSA-N 1 2 330.457 3.575 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(C)c1C ZINC000880002101 1137764507 /nfs/dbraw/zinc/76/45/07/1137764507.db2.gz VNHLQDTUUKEHDH-AWEZNQCLSA-N 1 2 334.407 3.886 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(C)c1C ZINC000880002101 1137764508 /nfs/dbraw/zinc/76/45/08/1137764508.db2.gz VNHLQDTUUKEHDH-AWEZNQCLSA-N 1 2 334.407 3.886 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3Cl)C2)n1 ZINC000880006962 1137764798 /nfs/dbraw/zinc/76/47/98/1137764798.db2.gz AFWWRFVDWBDFGQ-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)n1 ZINC000880006962 1137764799 /nfs/dbraw/zinc/76/47/99/1137764799.db2.gz AFWWRFVDWBDFGQ-LBPRGKRZSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000880007389 1137764875 /nfs/dbraw/zinc/76/48/75/1137764875.db2.gz GPLHEZBCQIDBDX-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000880007389 1137764876 /nfs/dbraw/zinc/76/48/76/1137764876.db2.gz GPLHEZBCQIDBDX-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015566 1137765610 /nfs/dbraw/zinc/76/56/10/1137765610.db2.gz JHOQZIMVVAUMOJ-ZACQAIPSSA-N 1 2 341.904 3.548 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015566 1137765611 /nfs/dbraw/zinc/76/56/11/1137765611.db2.gz JHOQZIMVVAUMOJ-ZACQAIPSSA-N 1 2 341.904 3.548 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880323007 1137775487 /nfs/dbraw/zinc/77/54/87/1137775487.db2.gz MUMNPLMUYFEPMJ-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880323007 1137775488 /nfs/dbraw/zinc/77/54/88/1137775488.db2.gz MUMNPLMUYFEPMJ-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC23CCC3)oc1C ZINC000880348601 1137775785 /nfs/dbraw/zinc/77/57/85/1137775785.db2.gz DNFQVCRRWDGOPN-UHFFFAOYSA-N 1 2 349.475 3.657 20 0 EHADLO Cc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC23CCC3)oc1C ZINC000880348601 1137775786 /nfs/dbraw/zinc/77/57/86/1137775786.db2.gz DNFQVCRRWDGOPN-UHFFFAOYSA-N 1 2 349.475 3.657 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4ccsc4[C@@H]3C)o2)cc1 ZINC000880377696 1137777122 /nfs/dbraw/zinc/77/71/22/1137777122.db2.gz CGQJHJATJQSFBO-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4ccsc4[C@@H]3C)o2)cc1 ZINC000880377696 1137777123 /nfs/dbraw/zinc/77/71/23/1137777123.db2.gz CGQJHJATJQSFBO-LBPRGKRZSA-N 1 2 341.436 3.926 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)cs1 ZINC000880386693 1137777388 /nfs/dbraw/zinc/77/73/88/1137777388.db2.gz JUBGBKRPLMETMW-MRXNPFEDSA-N 1 2 347.509 3.782 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)cs1 ZINC000880386693 1137777389 /nfs/dbraw/zinc/77/73/89/1137777389.db2.gz JUBGBKRPLMETMW-MRXNPFEDSA-N 1 2 347.509 3.782 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)nn1 ZINC000880389966 1137777643 /nfs/dbraw/zinc/77/76/43/1137777643.db2.gz VNUJGMAZIKPOSC-QGZVFWFLSA-N 1 2 330.501 3.713 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)nn1 ZINC000880389966 1137777644 /nfs/dbraw/zinc/77/76/44/1137777644.db2.gz VNUJGMAZIKPOSC-QGZVFWFLSA-N 1 2 330.501 3.713 20 0 EHADLO CO[C@@H](C)c1nc(CN[C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569097 1137781324 /nfs/dbraw/zinc/78/13/24/1137781324.db2.gz IMPVXOPAFLYGJV-YOEHRIQHSA-N 1 2 342.468 3.578 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000880685669 1137784336 /nfs/dbraw/zinc/78/43/36/1137784336.db2.gz IYGMXKUNFJZSKL-LBPRGKRZSA-N 1 2 338.333 3.829 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCc2ccccc21 ZINC000626133299 1137788806 /nfs/dbraw/zinc/78/88/06/1137788806.db2.gz KVPSGIBFUJWCMR-SUMWQHHRSA-N 1 2 343.496 3.940 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCc2ccccc21 ZINC000626133299 1137788807 /nfs/dbraw/zinc/78/88/07/1137788807.db2.gz KVPSGIBFUJWCMR-SUMWQHHRSA-N 1 2 343.496 3.940 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000881070422 1137799688 /nfs/dbraw/zinc/79/96/88/1137799688.db2.gz NAJDPVCDBITBOY-UHFFFAOYSA-N 1 2 340.427 3.641 20 0 EHADLO C[C@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129015927 1137807557 /nfs/dbraw/zinc/80/75/57/1137807557.db2.gz ALMAACJSJLLHKY-YOEHRIQHSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000129015927 1137807558 /nfs/dbraw/zinc/80/75/58/1137807558.db2.gz ALMAACJSJLLHKY-YOEHRIQHSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168116 1137811890 /nfs/dbraw/zinc/81/18/90/1137811890.db2.gz QQEVPOOLIFRRMF-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168116 1137811891 /nfs/dbraw/zinc/81/18/91/1137811891.db2.gz QQEVPOOLIFRRMF-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCc1c[nH+]cn1C ZINC000882033131 1137819309 /nfs/dbraw/zinc/81/93/09/1137819309.db2.gz DIRYTXHWHZKPOP-NRFANRHFSA-N 1 2 339.483 3.757 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C(C)C ZINC000882652659 1137830810 /nfs/dbraw/zinc/83/08/10/1137830810.db2.gz HAKLLGBDSYQYCS-HNNXBMFYSA-N 1 2 341.455 3.996 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)n1 ZINC000883077173 1137843652 /nfs/dbraw/zinc/84/36/52/1137843652.db2.gz BAACDOZWZVXNCH-UHFFFAOYSA-N 1 2 335.398 3.607 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 ZINC000348225713 1137850151 /nfs/dbraw/zinc/85/01/51/1137850151.db2.gz CENCVPGJMIZREM-CAMMJAKZSA-N 1 2 332.488 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 ZINC000348225713 1137850152 /nfs/dbraw/zinc/85/01/52/1137850152.db2.gz CENCVPGJMIZREM-CAMMJAKZSA-N 1 2 332.488 3.532 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2ccnc(-c3ccccn3)n2)n1 ZINC000883285525 1137852505 /nfs/dbraw/zinc/85/25/05/1137852505.db2.gz RTYRTLSFTJFJFD-UHFFFAOYSA-N 1 2 339.468 3.582 20 0 EHADLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(-c2ccccc2)nn1C ZINC000883311823 1137854038 /nfs/dbraw/zinc/85/40/38/1137854038.db2.gz LWXYCUWSGJVZSU-HNNXBMFYSA-N 1 2 333.439 3.607 20 0 EHADLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(Br)c1 ZINC000883313392 1137854148 /nfs/dbraw/zinc/85/41/48/1137854148.db2.gz CFZZPDUBCHMZFP-LBPRGKRZSA-N 1 2 332.245 3.969 20 0 EHADLO COc1ccc([C@@H](CCn2cncn2)Nc2c[nH+]c(C)c(C)c2)cc1 ZINC000883342984 1137855971 /nfs/dbraw/zinc/85/59/71/1137855971.db2.gz UZHULVBXXUNTCO-LJQANCHMSA-N 1 2 337.427 3.542 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000883378396 1137858106 /nfs/dbraw/zinc/85/81/06/1137858106.db2.gz KPHHZUIXHWIRCN-UHFFFAOYSA-N 1 2 348.468 3.973 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883381716 1137858449 /nfs/dbraw/zinc/85/84/49/1137858449.db2.gz RRLVUEYSHAGOJK-ZFWWWQNUSA-N 1 2 327.325 3.554 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883382989 1137858580 /nfs/dbraw/zinc/85/85/80/1137858580.db2.gz RENVEPGBQPIOSB-UYAOXDASSA-N 1 2 329.415 3.827 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H](C1CC1)C1CCC1 ZINC000883737692 1137868686 /nfs/dbraw/zinc/86/86/86/1137868686.db2.gz HPMMKGJVVFVKMG-MOPGFXCFSA-N 1 2 338.455 3.502 20 0 EHADLO O=C(NC[C@@H]1CCCC12CC2)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883798906 1137870661 /nfs/dbraw/zinc/87/06/61/1137870661.db2.gz TZZWVJZKODNGNN-ZWKOTPCHSA-N 1 2 338.455 3.504 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101861925 1137871825 /nfs/dbraw/zinc/87/18/25/1137871825.db2.gz GKOCUSYPDCXQNW-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)n21 ZINC001137197845 1137873668 /nfs/dbraw/zinc/87/36/68/1137873668.db2.gz PTFYXSVWJZBJMJ-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)n21 ZINC001137197845 1137873669 /nfs/dbraw/zinc/87/36/69/1137873669.db2.gz PTFYXSVWJZBJMJ-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1cc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)no1 ZINC000103142584 1137875245 /nfs/dbraw/zinc/87/52/45/1137875245.db2.gz FLBUGFBMPDIJPQ-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO Cc1cc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)no1 ZINC000103142584 1137875246 /nfs/dbraw/zinc/87/52/46/1137875246.db2.gz FLBUGFBMPDIJPQ-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C ZINC000348246021 1137875405 /nfs/dbraw/zinc/87/54/05/1137875405.db2.gz LBMPCSHGWXUMKA-HIFRSBDPSA-N 1 2 330.394 3.970 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C ZINC000348246021 1137875406 /nfs/dbraw/zinc/87/54/06/1137875406.db2.gz LBMPCSHGWXUMKA-HIFRSBDPSA-N 1 2 330.394 3.970 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245994 1137875416 /nfs/dbraw/zinc/87/54/16/1137875416.db2.gz KXACXELHKAQCHG-CMPLNLGQSA-N 1 2 327.375 3.978 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245994 1137875417 /nfs/dbraw/zinc/87/54/17/1137875417.db2.gz KXACXELHKAQCHG-CMPLNLGQSA-N 1 2 327.375 3.978 20 0 EHADLO CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000103186450 1137875446 /nfs/dbraw/zinc/87/54/46/1137875446.db2.gz HTNVQOYWVVIYPR-UHFFFAOYSA-N 1 2 339.439 3.905 20 0 EHADLO c1ccc(C2([NH2+]Cc3nc(-c4ccc5c(c4)OCO5)no3)CCC2)cc1 ZINC000104665348 1137878951 /nfs/dbraw/zinc/87/89/51/1137878951.db2.gz HPHQDDZTLFDVNQ-UHFFFAOYSA-N 1 2 349.390 3.634 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)n1 ZINC000348251472 1137879023 /nfs/dbraw/zinc/87/90/23/1137879023.db2.gz ZPJAVXJGCDBTCD-GOSISDBHSA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)n1 ZINC000348251472 1137879024 /nfs/dbraw/zinc/87/90/24/1137879024.db2.gz ZPJAVXJGCDBTCD-GOSISDBHSA-N 1 2 331.435 3.784 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCCc3ccccc3C2)nc2ccc(Cl)cc21 ZINC000106888425 1137884791 /nfs/dbraw/zinc/88/47/91/1137884791.db2.gz SENLRKNUEQPFKN-UHFFFAOYSA-N 1 2 339.826 3.525 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCCc3ccccc3C2)nc2ccc(Cl)cc21 ZINC000106888425 1137884792 /nfs/dbraw/zinc/88/47/92/1137884792.db2.gz SENLRKNUEQPFKN-UHFFFAOYSA-N 1 2 339.826 3.525 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(F)c1F ZINC000107179523 1137885837 /nfs/dbraw/zinc/88/58/37/1137885837.db2.gz KXNSJXVYKLIRSE-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO CCc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)oc1CC ZINC000348260512 1137886250 /nfs/dbraw/zinc/88/62/50/1137886250.db2.gz HUOCDPIEXLKLBA-UHFFFAOYSA-N 1 2 337.423 3.579 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348262067 1137886348 /nfs/dbraw/zinc/88/63/48/1137886348.db2.gz QCLBBKMVHUAHOO-UITAMQMPSA-N 1 2 349.409 3.790 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000883983303 1137887114 /nfs/dbraw/zinc/88/71/14/1137887114.db2.gz YQTHZATZVMMWRJ-WFASDCNBSA-N 1 2 349.356 3.660 20 0 EHADLO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000108393825 1137889431 /nfs/dbraw/zinc/88/94/31/1137889431.db2.gz RZOYRTFEOWSTAP-AWEZNQCLSA-N 1 2 342.842 3.699 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000108393825 1137889432 /nfs/dbraw/zinc/88/94/32/1137889432.db2.gz RZOYRTFEOWSTAP-AWEZNQCLSA-N 1 2 342.842 3.699 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348267668 1137889701 /nfs/dbraw/zinc/88/97/01/1137889701.db2.gz BWUOZTOQZQGMCD-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348267668 1137889702 /nfs/dbraw/zinc/88/97/02/1137889702.db2.gz BWUOZTOQZQGMCD-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)oc1C ZINC000282872193 1137891873 /nfs/dbraw/zinc/89/18/73/1137891873.db2.gz VFRPMZYTAODHFC-STQMWFEESA-N 1 2 325.416 3.797 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397891 1137892879 /nfs/dbraw/zinc/89/28/79/1137892879.db2.gz GPCDAAKHZWLGDO-JOYOIKCWSA-N 1 2 341.242 3.634 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397891 1137892880 /nfs/dbraw/zinc/89/28/80/1137892880.db2.gz GPCDAAKHZWLGDO-JOYOIKCWSA-N 1 2 341.242 3.634 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109784022 1137897412 /nfs/dbraw/zinc/89/74/12/1137897412.db2.gz PIKBAQCEESZYNN-LBPRGKRZSA-N 1 2 348.830 3.686 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109784022 1137897413 /nfs/dbraw/zinc/89/74/13/1137897413.db2.gz PIKBAQCEESZYNN-LBPRGKRZSA-N 1 2 348.830 3.686 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)cs1 ZINC000111375598 1137904291 /nfs/dbraw/zinc/90/42/91/1137904291.db2.gz YYXYUPGGOBEQKX-LSDHHAIUSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000111375572 1137904381 /nfs/dbraw/zinc/90/43/81/1137904381.db2.gz ODLSAMHCLPGTLL-VXGBXAGGSA-N 1 2 335.448 3.831 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348295071 1137912584 /nfs/dbraw/zinc/91/25/84/1137912584.db2.gz ZZCKJYDMSMWOIH-LJQANCHMSA-N 1 2 349.434 3.651 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567838 1137912845 /nfs/dbraw/zinc/91/28/45/1137912845.db2.gz VRMZYJVTVANJHL-TZMCWYRMSA-N 1 2 333.457 3.825 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567838 1137912846 /nfs/dbraw/zinc/91/28/46/1137912846.db2.gz VRMZYJVTVANJHL-TZMCWYRMSA-N 1 2 333.457 3.825 20 0 EHADLO FC1(F)CCC[C@H]1[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001202668331 1137915115 /nfs/dbraw/zinc/91/51/15/1137915115.db2.gz WBBBMKQQIYCXHT-QGZVFWFLSA-N 1 2 328.366 3.698 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776372 1137920007 /nfs/dbraw/zinc/92/00/07/1137920007.db2.gz GQFXDTAUDJOGSO-OLZOCXBDSA-N 1 2 333.436 3.640 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776372 1137920008 /nfs/dbraw/zinc/92/00/08/1137920008.db2.gz GQFXDTAUDJOGSO-OLZOCXBDSA-N 1 2 333.436 3.640 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000116192526 1137925151 /nfs/dbraw/zinc/92/51/51/1137925151.db2.gz OEJBCZSNZQFBQV-QGZVFWFLSA-N 1 2 325.456 3.892 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1cnn(C)c1 ZINC000348311434 1137934223 /nfs/dbraw/zinc/93/42/23/1137934223.db2.gz CFGUIXNEVQMEAV-QWRGUYRKSA-N 1 2 331.807 3.535 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000119575884 1137942933 /nfs/dbraw/zinc/94/29/33/1137942933.db2.gz ISNMMDQEQQNCJR-CYBMUJFWSA-N 1 2 341.546 3.847 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000119575884 1137942934 /nfs/dbraw/zinc/94/29/34/1137942934.db2.gz ISNMMDQEQQNCJR-CYBMUJFWSA-N 1 2 341.546 3.847 20 0 EHADLO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008917 1137945971 /nfs/dbraw/zinc/94/59/71/1137945971.db2.gz GLNDKZIQWFZYJM-UKRRQHHQSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008917 1137945972 /nfs/dbraw/zinc/94/59/72/1137945972.db2.gz GLNDKZIQWFZYJM-UKRRQHHQSA-N 1 2 344.484 3.801 20 0 EHADLO Cc1nc(C[N@H+](C)CCn2cccn2)oc1-c1ccc(Cl)cc1 ZINC000120724876 1137952124 /nfs/dbraw/zinc/95/21/24/1137952124.db2.gz PIGXSNOAGKMAAE-UHFFFAOYSA-N 1 2 330.819 3.632 20 0 EHADLO Cc1nc(C[N@@H+](C)CCn2cccn2)oc1-c1ccc(Cl)cc1 ZINC000120724876 1137952125 /nfs/dbraw/zinc/95/21/25/1137952125.db2.gz PIGXSNOAGKMAAE-UHFFFAOYSA-N 1 2 330.819 3.632 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC000121097812 1137955034 /nfs/dbraw/zinc/95/50/34/1137955034.db2.gz WRSDVJCVFJXNFQ-ZTFRIQLXSA-N 1 2 339.407 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC000121097812 1137955035 /nfs/dbraw/zinc/95/50/35/1137955035.db2.gz WRSDVJCVFJXNFQ-ZTFRIQLXSA-N 1 2 339.407 3.522 20 0 EHADLO Cc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000121175281 1137955664 /nfs/dbraw/zinc/95/56/64/1137955664.db2.gz GSGUPFBTQCRQQC-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000348325265 1137957700 /nfs/dbraw/zinc/95/77/00/1137957700.db2.gz QYCAKFSBQRXMED-UHFFFAOYSA-N 1 2 332.513 3.774 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000348325265 1137957701 /nfs/dbraw/zinc/95/77/01/1137957701.db2.gz QYCAKFSBQRXMED-UHFFFAOYSA-N 1 2 332.513 3.774 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC[C@H]1CCCC1(F)F ZINC000884513780 1137961905 /nfs/dbraw/zinc/96/19/05/1137961905.db2.gz RJLMFKGVHVNEIT-MRXNPFEDSA-N 1 2 348.393 3.843 20 0 EHADLO Cc1c[nH+]c(CCNc2cc(Cl)nc([C@H]3CCCO3)n2)c(C)c1 ZINC000884547964 1137962795 /nfs/dbraw/zinc/96/27/95/1137962795.db2.gz YXXVGVUNSFRZNO-CQSZACIVSA-N 1 2 332.835 3.648 20 0 EHADLO COc1ccc([C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C2CCC2)cc1 ZINC000885403615 1137999552 /nfs/dbraw/zinc/99/95/52/1137999552.db2.gz VUWQEYIWJFQMAA-AUUYWEPGSA-N 1 2 327.428 3.500 20 0 EHADLO Cc1ccc2nc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)ccc2c1 ZINC001137220180 1138020645 /nfs/dbraw/zinc/02/06/45/1138020645.db2.gz WJEGEIRSVCROAZ-IBGZPJMESA-N 1 2 345.437 3.849 20 0 EHADLO Cc1n[nH]c(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1C ZINC000886171778 1138055421 /nfs/dbraw/zinc/05/54/21/1138055421.db2.gz OBHJXEMYIXMZCI-INIZCTEOSA-N 1 2 341.286 3.726 20 0 EHADLO Cc1nc(CC[NH+]2CCN(c3ccc(F)cc3Cl)CC2)cs1 ZINC000348371775 1138059865 /nfs/dbraw/zinc/05/98/65/1138059865.db2.gz HUZICGWVTHBCHR-UHFFFAOYSA-N 1 2 339.867 3.609 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)c(F)cn1 ZINC000348378414 1138067171 /nfs/dbraw/zinc/06/71/71/1138067171.db2.gz GNEOBVSHZSLZNW-GFCCVEGCSA-N 1 2 333.407 3.652 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000886521070 1138089228 /nfs/dbraw/zinc/08/92/28/1138089228.db2.gz TVKNDNFCSCOXSH-WMLDXEAASA-N 1 2 346.427 3.526 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2cccs2)c1C ZINC000072800966 1138107698 /nfs/dbraw/zinc/10/76/98/1138107698.db2.gz HRPKRPLLRGCZCR-ZDUSSCGKSA-N 1 2 332.469 3.641 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2cccs2)c1C ZINC000072800966 1138107701 /nfs/dbraw/zinc/10/77/01/1138107701.db2.gz HRPKRPLLRGCZCR-ZDUSSCGKSA-N 1 2 332.469 3.641 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C)cs1)c1ccc(F)cc1 ZINC000072874770 1138108591 /nfs/dbraw/zinc/10/85/91/1138108591.db2.gz RIHGTTLXUBPZAW-GFCCVEGCSA-N 1 2 333.432 3.951 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C)cs1)c1ccc(F)cc1 ZINC000072874770 1138108592 /nfs/dbraw/zinc/10/85/92/1138108592.db2.gz RIHGTTLXUBPZAW-GFCCVEGCSA-N 1 2 333.432 3.951 20 0 EHADLO COc1cccc(C[NH2+]Cc2cn3cccc(C)c3n2)c1OC(F)F ZINC000076894946 1138135350 /nfs/dbraw/zinc/13/53/50/1138135350.db2.gz KSEDKWSJBBHXLJ-UHFFFAOYSA-N 1 2 347.365 3.543 20 0 EHADLO Cc1cncc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000079580106 1138156979 /nfs/dbraw/zinc/15/69/79/1138156979.db2.gz MXCVVEUXUARZIG-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1O ZINC000080962144 1138165283 /nfs/dbraw/zinc/16/52/83/1138165283.db2.gz SHDNLUZTRABXNH-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1O ZINC000080962144 1138165285 /nfs/dbraw/zinc/16/52/85/1138165285.db2.gz SHDNLUZTRABXNH-LBPRGKRZSA-N 1 2 348.830 3.513 20 0 EHADLO COC(=O)[C@@H](Cc1cc2ccccc2o1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000886940472 1138173724 /nfs/dbraw/zinc/17/37/24/1138173724.db2.gz XRVQCXLXQUTSKO-IUODEOHRSA-N 1 2 337.366 3.542 20 0 EHADLO CCCc1nc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000083952861 1138176812 /nfs/dbraw/zinc/17/68/12/1138176812.db2.gz IANAOTFIRWQFHO-QFIPXVFZSA-N 1 2 333.482 3.501 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000084301418 1138179575 /nfs/dbraw/zinc/17/95/75/1138179575.db2.gz VMOGZMCTYIKQCL-GFCCVEGCSA-N 1 2 337.876 3.715 20 0 EHADLO CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000089466332 1138199223 /nfs/dbraw/zinc/19/92/23/1138199223.db2.gz HWQDJKPRILOPEI-FZKQIMNGSA-N 1 2 340.427 3.509 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1ccccc1 ZINC000089937833 1138207913 /nfs/dbraw/zinc/20/79/13/1138207913.db2.gz VHJMLWIXYUIDJE-INIZCTEOSA-N 1 2 347.509 3.765 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1ccccc1 ZINC000089937833 1138207915 /nfs/dbraw/zinc/20/79/15/1138207915.db2.gz VHJMLWIXYUIDJE-INIZCTEOSA-N 1 2 347.509 3.765 20 0 EHADLO Cn1cnc(C[NH2+][C@@H](CCc2ccccc2Cl)c2ccccc2)n1 ZINC000090970262 1138214723 /nfs/dbraw/zinc/21/47/23/1138214723.db2.gz GSAKQFHLLWUKFV-SFHVURJKSA-N 1 2 340.858 3.932 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)o1 ZINC000091623487 1138219980 /nfs/dbraw/zinc/21/99/80/1138219980.db2.gz VQIIHQZYIXHDDJ-UHFFFAOYSA-N 1 2 334.441 3.780 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000092593976 1138229657 /nfs/dbraw/zinc/22/96/57/1138229657.db2.gz BUVIZTQDOZCVEE-KRWDZBQOSA-N 1 2 333.453 3.729 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000092593976 1138229659 /nfs/dbraw/zinc/22/96/59/1138229659.db2.gz BUVIZTQDOZCVEE-KRWDZBQOSA-N 1 2 333.453 3.729 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093226623 1138235151 /nfs/dbraw/zinc/23/51/51/1138235151.db2.gz ULEKQHKCJCYYAA-KBXCAEBGSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000093226623 1138235153 /nfs/dbraw/zinc/23/51/53/1138235153.db2.gz ULEKQHKCJCYYAA-KBXCAEBGSA-N 1 2 345.874 3.995 20 0 EHADLO COCC[N@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000122314286 1138257005 /nfs/dbraw/zinc/25/70/05/1138257005.db2.gz BGJJIYPRZZXSOB-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO COCC[N@@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000122314286 1138257008 /nfs/dbraw/zinc/25/70/08/1138257008.db2.gz BGJJIYPRZZXSOB-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC2(CCC2)C1 ZINC000123303394 1138268786 /nfs/dbraw/zinc/26/87/86/1138268786.db2.gz VJMSRNZNBIOLFI-GFCCVEGCSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC2(CCC2)C1 ZINC000123303394 1138268787 /nfs/dbraw/zinc/26/87/87/1138268787.db2.gz VJMSRNZNBIOLFI-GFCCVEGCSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000123395958 1138269688 /nfs/dbraw/zinc/26/96/88/1138269688.db2.gz VPUNJOCSTCRCME-BBRMVZONSA-N 1 2 325.437 3.821 20 0 EHADLO C[C@@H]1CCN(C(=O)COc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000123490086 1138270744 /nfs/dbraw/zinc/27/07/44/1138270744.db2.gz AWJZRSLULLBUIS-UZLBHIALSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000123699314 1138273757 /nfs/dbraw/zinc/27/37/57/1138273757.db2.gz ZOFJYKXKNPMWIE-TZMCWYRMSA-N 1 2 337.876 3.640 20 0 EHADLO CC(C)(C)[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000333311903 1138276184 /nfs/dbraw/zinc/27/61/84/1138276184.db2.gz NQUQYGINXSXHHJ-ZBFHGGJFSA-N 1 2 338.455 3.557 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000125391719 1138307862 /nfs/dbraw/zinc/30/78/62/1138307862.db2.gz UEFVYUGJLVVJBG-CJNGLKHVSA-N 1 2 346.500 3.570 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125986920 1138320965 /nfs/dbraw/zinc/32/09/65/1138320965.db2.gz LOYOJPIUGGJRRI-YOEHRIQHSA-N 1 2 345.874 3.924 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000333711928 1138323796 /nfs/dbraw/zinc/32/37/96/1138323796.db2.gz MHSZTBXWRNEUDB-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000333711928 1138323798 /nfs/dbraw/zinc/32/37/98/1138323798.db2.gz MHSZTBXWRNEUDB-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000126094874 1138323851 /nfs/dbraw/zinc/32/38/51/1138323851.db2.gz FUOBGSLVJMHVBK-ZFWWWQNUSA-N 1 2 329.469 3.547 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282989962 1138337528 /nfs/dbraw/zinc/33/75/28/1138337528.db2.gz XYFZWXISLBCMLD-INIZCTEOSA-N 1 2 338.455 3.939 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000127073216 1138345837 /nfs/dbraw/zinc/34/58/37/1138345837.db2.gz QALXFTLXIYGVIK-RHSMWYFYSA-N 1 2 326.444 3.923 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000333914072 1138347063 /nfs/dbraw/zinc/34/70/63/1138347063.db2.gz YMGKRAYKHBLGHW-RDJZCZTQSA-N 1 2 330.476 3.612 20 0 EHADLO C[C@@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000333914073 1138347223 /nfs/dbraw/zinc/34/72/23/1138347223.db2.gz YMGKRAYKHBLGHW-WBVHZDCISA-N 1 2 330.476 3.612 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127511661 1138360820 /nfs/dbraw/zinc/36/08/20/1138360820.db2.gz DRPMYXAAFWPSIP-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127511661 1138360822 /nfs/dbraw/zinc/36/08/22/1138360822.db2.gz DRPMYXAAFWPSIP-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO CCCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000128184112 1138382746 /nfs/dbraw/zinc/38/27/46/1138382746.db2.gz FGNJWRXCDGTFPB-MAUKXSAKSA-N 1 2 342.443 3.787 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000348433616 1138390584 /nfs/dbraw/zinc/39/05/84/1138390584.db2.gz FMHMOFCMJJCKBI-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263943500 1138395675 /nfs/dbraw/zinc/39/56/75/1138395675.db2.gz IDMZAEQDUPXFFY-CQSZACIVSA-N 1 2 340.452 3.714 20 0 EHADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263961575 1138398509 /nfs/dbraw/zinc/39/85/09/1138398509.db2.gz XIBJIBHYHGSSHA-ZIAGYGMSSA-N 1 2 347.846 3.545 20 0 EHADLO C[N@H+](Cc1nc2ccccc2n1C(F)F)[C@H](CO)c1ccccc1 ZINC000264043325 1138410199 /nfs/dbraw/zinc/41/01/99/1138410199.db2.gz SQIFTNKPEUVPAH-MRXNPFEDSA-N 1 2 331.366 3.597 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@H](CO)c1ccccc1 ZINC000264043325 1138410200 /nfs/dbraw/zinc/41/02/00/1138410200.db2.gz SQIFTNKPEUVPAH-MRXNPFEDSA-N 1 2 331.366 3.597 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CC[C@@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000336883561 1138420433 /nfs/dbraw/zinc/42/04/33/1138420433.db2.gz ZECVYQJUDFVPCA-OAHLLOKOSA-N 1 2 339.464 3.831 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CC[C@@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000336883561 1138420434 /nfs/dbraw/zinc/42/04/34/1138420434.db2.gz ZECVYQJUDFVPCA-OAHLLOKOSA-N 1 2 339.464 3.831 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129791920 1138422917 /nfs/dbraw/zinc/42/29/17/1138422917.db2.gz UHEAXMZRXDXDHD-MRXNPFEDSA-N 1 2 326.444 3.614 20 0 EHADLO CSc1ccccc1[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000336935522 1138430878 /nfs/dbraw/zinc/43/08/78/1138430878.db2.gz TYEUJIPFQWBKLK-CYBMUJFWSA-N 1 2 346.525 3.925 20 0 EHADLO CSc1ccccc1[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000336935522 1138430881 /nfs/dbraw/zinc/43/08/81/1138430881.db2.gz TYEUJIPFQWBKLK-CYBMUJFWSA-N 1 2 346.525 3.925 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)s1 ZINC000264210631 1138444355 /nfs/dbraw/zinc/44/43/55/1138444355.db2.gz JBMPSRDSCSSSMK-AWEZNQCLSA-N 1 2 330.453 3.702 20 0 EHADLO COc1ncc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)c(C)n1 ZINC000337212179 1138496701 /nfs/dbraw/zinc/49/67/01/1138496701.db2.gz VGGSKEHEWZDPDN-UHFFFAOYSA-N 1 2 339.361 3.748 20 0 EHADLO COc1ncc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)c(C)n1 ZINC000337212179 1138496703 /nfs/dbraw/zinc/49/67/03/1138496703.db2.gz VGGSKEHEWZDPDN-UHFFFAOYSA-N 1 2 339.361 3.748 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2)o1 ZINC000131333252 1138510969 /nfs/dbraw/zinc/51/09/69/1138510969.db2.gz JIWQNUBWLYZFOJ-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2)o1 ZINC000131333252 1138510971 /nfs/dbraw/zinc/51/09/71/1138510971.db2.gz JIWQNUBWLYZFOJ-QGZVFWFLSA-N 1 2 328.412 3.510 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000337270868 1138514952 /nfs/dbraw/zinc/51/49/52/1138514952.db2.gz CQNSBNJHWQJLGR-UHFFFAOYSA-N 1 2 333.486 3.508 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H](C)C1 ZINC000337429438 1138566309 /nfs/dbraw/zinc/56/63/09/1138566309.db2.gz UMNHBUZPDSUBNB-CABCVRRESA-N 1 2 344.434 3.589 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2c(F)cccc2F)CCCC1 ZINC000337501060 1138587856 /nfs/dbraw/zinc/58/78/56/1138587856.db2.gz BEYHNUFSWFFNAG-UHFFFAOYSA-N 1 2 343.381 3.565 20 0 EHADLO CC(C)COc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264746499 1138625103 /nfs/dbraw/zinc/62/51/03/1138625103.db2.gz QMELOBHVCYHUKN-OAHLLOKOSA-N 1 2 342.443 3.856 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000337760936 1138661797 /nfs/dbraw/zinc/66/17/97/1138661797.db2.gz ZKHPXJMNQJKDCW-FGTMMUONSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000337760936 1138661799 /nfs/dbraw/zinc/66/17/99/1138661799.db2.gz ZKHPXJMNQJKDCW-FGTMMUONSA-N 1 2 344.499 3.554 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nnc(-c3ccco3)o2)cc1C ZINC000337855305 1138683045 /nfs/dbraw/zinc/68/30/45/1138683045.db2.gz VAOACTOVVZYDRF-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nnc(-c3ccco3)o2)cc1C ZINC000337855305 1138683046 /nfs/dbraw/zinc/68/30/46/1138683046.db2.gz VAOACTOVVZYDRF-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134795012 1138706035 /nfs/dbraw/zinc/70/60/35/1138706035.db2.gz TWULYVZWBWFPQN-SJORKVTESA-N 1 2 347.434 3.639 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134795012 1138706037 /nfs/dbraw/zinc/70/60/37/1138706037.db2.gz TWULYVZWBWFPQN-SJORKVTESA-N 1 2 347.434 3.639 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 ZINC000302082492 1138709367 /nfs/dbraw/zinc/70/93/67/1138709367.db2.gz DFRSFZBRNWVSRH-UHFFFAOYSA-N 1 2 346.431 3.871 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000338038717 1138731062 /nfs/dbraw/zinc/73/10/62/1138731062.db2.gz KZMBSWJEBHOBGM-UHFFFAOYSA-N 1 2 345.855 3.919 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000338062610 1138737550 /nfs/dbraw/zinc/73/75/50/1138737550.db2.gz AJGJDOODXABEBU-FQEVSTJZSA-N 1 2 333.435 3.764 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000338115694 1138755953 /nfs/dbraw/zinc/75/59/53/1138755953.db2.gz QWOHLZCBRBHNMS-UHFFFAOYSA-N 1 2 339.782 3.808 20 0 EHADLO O=C(Nc1ccccc1OC(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338140337 1138763921 /nfs/dbraw/zinc/76/39/21/1138763921.db2.gz YWVYEVUOCCYVML-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2ccc(Cl)cc21 ZINC000338175923 1138775244 /nfs/dbraw/zinc/77/52/44/1138775244.db2.gz RPOFHDTURYLALT-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1F ZINC000338262776 1138805320 /nfs/dbraw/zinc/80/53/20/1138805320.db2.gz STUFZZOQFXNMKT-MRXNPFEDSA-N 1 2 332.806 3.574 20 0 EHADLO COC[C@H]([NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000136653393 1138806984 /nfs/dbraw/zinc/80/69/84/1138806984.db2.gz BNDFNQXLZUEZFQ-OALUTQOASA-N 1 2 349.434 3.841 20 0 EHADLO CCc1nc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)cs1 ZINC000338313865 1138829961 /nfs/dbraw/zinc/82/99/61/1138829961.db2.gz GINHWQXXGDOIEJ-UHFFFAOYSA-N 1 2 345.487 3.872 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338355020 1138850382 /nfs/dbraw/zinc/85/03/82/1138850382.db2.gz GSDVEYWLXFYAJT-DLBZAZTESA-N 1 2 340.471 3.557 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(Cl)c1SCC(F)F ZINC000265489193 1138923571 /nfs/dbraw/zinc/92/35/71/1138923571.db2.gz HKBPLAQVSXWDNZ-UHFFFAOYSA-N 1 2 345.802 3.923 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(C(F)(F)F)cc1Cl ZINC000338491473 1138939206 /nfs/dbraw/zinc/93/92/06/1138939206.db2.gz XDLZHWJUVBNWIH-UHFFFAOYSA-N 1 2 344.768 3.923 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338492897 1138939913 /nfs/dbraw/zinc/93/99/13/1138939913.db2.gz PNETVVCDLGBOFI-IBGZPJMESA-N 1 2 346.434 3.667 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000338523295 1138955862 /nfs/dbraw/zinc/95/58/62/1138955862.db2.gz KJBZKTUMDUALBK-LEWJYISDSA-N 1 2 345.446 3.855 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cscc1C(F)F ZINC000887893063 1138969120 /nfs/dbraw/zinc/96/91/20/1138969120.db2.gz SHSYNHQPFHVDIS-UHFFFAOYSA-N 1 2 337.395 3.611 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151821166 1139058765 /nfs/dbraw/zinc/05/87/65/1139058765.db2.gz TWJKGAJSYQKGSL-YTQUADARSA-N 1 2 340.471 3.873 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151821080 1139059247 /nfs/dbraw/zinc/05/92/47/1139059247.db2.gz TWJKGAJSYQKGSL-NZSAHSFTSA-N 1 2 340.471 3.873 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000152458071 1139091831 /nfs/dbraw/zinc/09/18/31/1139091831.db2.gz TYZATIXMTAOTPJ-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000152458071 1139091840 /nfs/dbraw/zinc/09/18/40/1139091840.db2.gz TYZATIXMTAOTPJ-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO c1nnc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)n1-c1ccccc1 ZINC000152681432 1139103398 /nfs/dbraw/zinc/10/33/98/1139103398.db2.gz POXYLWLVHPQJFW-GOSISDBHSA-N 1 2 346.434 3.803 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000152832794 1139110823 /nfs/dbraw/zinc/11/08/23/1139110823.db2.gz YBWUIZJQXHEBHV-OXQOHEQNSA-N 1 2 345.446 3.733 20 0 EHADLO c1sc(C2CCCC2)nc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153166059 1139124910 /nfs/dbraw/zinc/12/49/10/1139124910.db2.gz IAXWKZWRJAYTNI-UHFFFAOYSA-N 1 2 342.512 3.514 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(CCC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000153493906 1139138588 /nfs/dbraw/zinc/13/85/88/1139138588.db2.gz HYIKINLRFZKZMA-LBPRGKRZSA-N 1 2 346.418 3.557 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)NCc3[nH]c(C)c(C)[nH+]3)ccc2c1 ZINC001137260110 1139300921 /nfs/dbraw/zinc/30/09/21/1139300921.db2.gz ANDCKGUQQMEKCP-UITAMQMPSA-N 1 2 335.407 3.518 20 0 EHADLO C[C@H]1CC2(CCC2)CN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251614 1139330978 /nfs/dbraw/zinc/33/09/78/1139330978.db2.gz YRKJVBQEXGTWLI-FUHWJXTLSA-N 1 2 338.455 3.599 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)c1C ZINC000429571278 1139331527 /nfs/dbraw/zinc/33/15/27/1139331527.db2.gz QTVJPFVNZGVWFS-HNNXBMFYSA-N 1 2 338.451 3.772 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)c1C ZINC000429571278 1139331534 /nfs/dbraw/zinc/33/15/34/1139331534.db2.gz QTVJPFVNZGVWFS-HNNXBMFYSA-N 1 2 338.451 3.772 20 0 EHADLO COCc1cccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000173926235 1139387768 /nfs/dbraw/zinc/38/77/68/1139387768.db2.gz ATPBWOKPERZHCJ-HNNXBMFYSA-N 1 2 337.423 3.658 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)oc1C ZINC000174910323 1139450090 /nfs/dbraw/zinc/45/00/90/1139450090.db2.gz AHWITBFRIVHNGG-UHFFFAOYSA-N 1 2 341.455 3.670 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000175234167 1139474451 /nfs/dbraw/zinc/47/44/51/1139474451.db2.gz LXINLPRZDJILHQ-CVEARBPZSA-N 1 2 344.503 3.790 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000175686847 1139510066 /nfs/dbraw/zinc/51/00/66/1139510066.db2.gz KIWJVGJEJQSWNG-OAHLLOKOSA-N 1 2 333.453 3.669 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000175686847 1139510071 /nfs/dbraw/zinc/51/00/71/1139510071.db2.gz KIWJVGJEJQSWNG-OAHLLOKOSA-N 1 2 333.453 3.669 20 0 EHADLO CCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000175857805 1139523452 /nfs/dbraw/zinc/52/34/52/1139523452.db2.gz BITCECIYECVOAK-KGLIPLIRSA-N 1 2 335.473 3.562 20 0 EHADLO CCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000175857805 1139523457 /nfs/dbraw/zinc/52/34/57/1139523457.db2.gz BITCECIYECVOAK-KGLIPLIRSA-N 1 2 335.473 3.562 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(C)o1 ZINC000177565249 1139626910 /nfs/dbraw/zinc/62/69/10/1139626910.db2.gz RHPQCQXDYOKVIX-CQSZACIVSA-N 1 2 342.208 3.967 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)c(C)s1 ZINC000177920126 1139654536 /nfs/dbraw/zinc/65/45/36/1139654536.db2.gz VPLVCKPDPZYWDV-GFCCVEGCSA-N 1 2 328.441 3.573 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1OC ZINC000178061938 1139667278 /nfs/dbraw/zinc/66/72/78/1139667278.db2.gz UUWJKKNYFLMCBY-ZDUSSCGKSA-N 1 2 343.402 3.650 20 0 EHADLO c1ccc2sc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179510599 1139761932 /nfs/dbraw/zinc/76/19/32/1139761932.db2.gz NMVHTJPKLIFOAV-CYBMUJFWSA-N 1 2 339.468 3.671 20 0 EHADLO c1ccc2sc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179510599 1139761938 /nfs/dbraw/zinc/76/19/38/1139761938.db2.gz NMVHTJPKLIFOAV-CYBMUJFWSA-N 1 2 339.468 3.671 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181218392 1139893362 /nfs/dbraw/zinc/89/33/62/1139893362.db2.gz QQXYVUIHXLPPHJ-WBVHZDCISA-N 1 2 329.444 3.526 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181232010 1139894186 /nfs/dbraw/zinc/89/41/86/1139894186.db2.gz UPFOHTVMDYHQOB-HOCLYGCPSA-N 1 2 329.444 3.625 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181232063 1139894816 /nfs/dbraw/zinc/89/48/16/1139894816.db2.gz UPFOHTVMDYHQOB-GDBMZVCRSA-N 1 2 329.444 3.625 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)c(F)c1 ZINC000181430514 1139906671 /nfs/dbraw/zinc/90/66/71/1139906671.db2.gz UAVLZVXCROCITH-MRXNPFEDSA-N 1 2 325.330 3.590 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cn(C)nc1-c1cccnc1 ZINC000181479121 1139909276 /nfs/dbraw/zinc/90/92/76/1139909276.db2.gz PYYQMNYBPRGMKN-UHFFFAOYSA-N 1 2 346.438 3.854 20 0 EHADLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1c(F)cccc1Cl ZINC000181733955 1139927753 /nfs/dbraw/zinc/92/77/53/1139927753.db2.gz MLJHGARNQUZKNE-GFCCVEGCSA-N 1 2 341.835 3.604 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181853109 1139936405 /nfs/dbraw/zinc/93/64/05/1139936405.db2.gz ZJSCUYYQBSFTNQ-HNNXBMFYSA-N 1 2 328.460 3.863 20 0 EHADLO COCc1noc(C[N@@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000182053208 1139947672 /nfs/dbraw/zinc/94/76/72/1139947672.db2.gz ULCYBRKSQPXSJJ-INIZCTEOSA-N 1 2 329.444 3.851 20 0 EHADLO COCc1noc(C[N@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 ZINC000182053208 1139947674 /nfs/dbraw/zinc/94/76/74/1139947674.db2.gz ULCYBRKSQPXSJJ-INIZCTEOSA-N 1 2 329.444 3.851 20 0 EHADLO CC(C)[C@H]1CCCC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182491380 1139976163 /nfs/dbraw/zinc/97/61/63/1139976163.db2.gz GHYJTDYWSRYJIO-OAHLLOKOSA-N 1 2 344.484 3.801 20 0 EHADLO CC(C)[C@H]1CCCC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182491380 1139976168 /nfs/dbraw/zinc/97/61/68/1139976168.db2.gz GHYJTDYWSRYJIO-OAHLLOKOSA-N 1 2 344.484 3.801 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnc(C4CC4)[nH]3)oc21 ZINC000182656709 1139984975 /nfs/dbraw/zinc/98/49/75/1139984975.db2.gz ZGQDTANECQYHNN-NSHDSACASA-N 1 2 326.400 3.678 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C12CCC2 ZINC000182940809 1140002944 /nfs/dbraw/zinc/00/29/44/1140002944.db2.gz CEURICYNNFHRDA-RTBURBONSA-N 1 2 341.455 3.722 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc(F)c1F ZINC000183317999 1140029873 /nfs/dbraw/zinc/02/98/73/1140029873.db2.gz UIBNKKFIDVJUCK-SNVBAGLBSA-N 1 2 328.309 3.855 20 0 EHADLO COc1sc(C[N@H+](C)Cc2cccnc2)cc1Br ZINC000183659416 1140051701 /nfs/dbraw/zinc/05/17/01/1140051701.db2.gz RUKTUCOLNBIXCE-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1sc(C[N@@H+](C)Cc2cccnc2)cc1Br ZINC000183659416 1140051704 /nfs/dbraw/zinc/05/17/04/1140051704.db2.gz RUKTUCOLNBIXCE-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO CCn1c(C[NH2+]C(C)(C)c2ncc(C)s2)nc2c1cccc2F ZINC000183941022 1140068003 /nfs/dbraw/zinc/06/80/03/1140068003.db2.gz BULBZODWRRCQIJ-UHFFFAOYSA-N 1 2 332.448 3.985 20 0 EHADLO CCc1ccc2c(C[NH2+][C@@H](COC)c3ccc(C)o3)cc(=O)oc2c1 ZINC000184682289 1140114634 /nfs/dbraw/zinc/11/46/34/1140114634.db2.gz AHZJZHSHLBIRAH-KRWDZBQOSA-N 1 2 341.407 3.734 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cs1 ZINC000184684437 1140115442 /nfs/dbraw/zinc/11/54/42/1140115442.db2.gz AKLDBBGRBJSVSQ-STQMWFEESA-N 1 2 349.475 3.715 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cs1 ZINC000184729586 1140117635 /nfs/dbraw/zinc/11/76/35/1140117635.db2.gz XVOIVSNLMLRRCX-VIFPVBQESA-N 1 2 341.839 3.787 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C)c1ccc(C)o1 ZINC000184731455 1140117655 /nfs/dbraw/zinc/11/76/55/1140117655.db2.gz VMUVXEUCICZFMM-HOTGVXAUSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cs1 ZINC000184734096 1140118196 /nfs/dbraw/zinc/11/81/96/1140118196.db2.gz SMUINLYIMGMMKO-CABCVRRESA-N 1 2 345.512 3.850 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000184797684 1140120440 /nfs/dbraw/zinc/12/04/40/1140120440.db2.gz DQQAUAVDYLQRMU-SOFGYWHQSA-N 1 2 342.405 3.667 20 0 EHADLO COc1ccccc1/C=C/C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000184797684 1140120443 /nfs/dbraw/zinc/12/04/43/1140120443.db2.gz DQQAUAVDYLQRMU-SOFGYWHQSA-N 1 2 342.405 3.667 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000185616498 1140158662 /nfs/dbraw/zinc/15/86/62/1140158662.db2.gz JQGVVRCEQFLXSB-FAAWYNLUSA-N 1 2 331.460 3.674 20 0 EHADLO CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(C)cc1 ZINC000185620819 1140159384 /nfs/dbraw/zinc/15/93/84/1140159384.db2.gz OVLZHEQKSPUFFH-UHFFFAOYSA-N 1 2 327.457 3.652 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1C ZINC000186434004 1140204144 /nfs/dbraw/zinc/20/41/44/1140204144.db2.gz HXDHDQKVKFCKNI-INIZCTEOSA-N 1 2 336.439 3.851 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Br)ccc1F ZINC000186511704 1140207976 /nfs/dbraw/zinc/20/79/76/1140207976.db2.gz HDYIXPPZCFLTGQ-HZMBPMFUSA-N 1 2 342.208 3.956 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Br)ccc1F ZINC000186511759 1140208038 /nfs/dbraw/zinc/20/80/38/1140208038.db2.gz HDYIXPPZCFLTGQ-QMTHXVAHSA-N 1 2 342.208 3.956 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1nc2ccc(Cl)cc2n1C ZINC000186533903 1140208673 /nfs/dbraw/zinc/20/86/73/1140208673.db2.gz VAWFTSKAXNNDNI-FZMZJTMJSA-N 1 2 333.819 3.594 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000187191594 1140243483 /nfs/dbraw/zinc/24/34/83/1140243483.db2.gz PRAVVEJVHVUAHA-CQSZACIVSA-N 1 2 337.423 3.826 20 0 EHADLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187409801 1140254388 /nfs/dbraw/zinc/25/43/88/1140254388.db2.gz WDIIHFFWIHWOJH-HNNXBMFYSA-N 1 2 335.835 3.634 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000187445152 1140255698 /nfs/dbraw/zinc/25/56/98/1140255698.db2.gz BHCNPVGPWJETGM-QGZVFWFLSA-N 1 2 332.806 3.589 20 0 EHADLO COc1ccccc1/C=C/C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000187659319 1140266308 /nfs/dbraw/zinc/26/63/08/1140266308.db2.gz LRRHBNHWGFAWEO-GQCTYLIASA-N 1 2 327.346 3.552 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000188220200 1140287527 /nfs/dbraw/zinc/28/75/27/1140287527.db2.gz YAANUEPJPWCSNV-UHFFFAOYSA-N 1 2 326.831 3.844 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000188220200 1140287532 /nfs/dbraw/zinc/28/75/32/1140287532.db2.gz YAANUEPJPWCSNV-UHFFFAOYSA-N 1 2 326.831 3.844 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189298066 1140333897 /nfs/dbraw/zinc/33/38/97/1140333897.db2.gz OEUMDPDJUZPSJG-SFHVURJKSA-N 1 2 339.418 3.688 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189298066 1140333904 /nfs/dbraw/zinc/33/39/04/1140333904.db2.gz OEUMDPDJUZPSJG-SFHVURJKSA-N 1 2 339.418 3.688 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000189880841 1140369741 /nfs/dbraw/zinc/36/97/41/1140369741.db2.gz GKEVUOGVJMWLAX-OAQYLSRUSA-N 1 2 347.462 3.843 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000191781938 1140485184 /nfs/dbraw/zinc/48/51/84/1140485184.db2.gz FQEIGJKYOISQIJ-UHFFFAOYSA-N 1 2 340.471 3.878 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ncc(CC)s1)CCC2 ZINC000192910958 1140555326 /nfs/dbraw/zinc/55/53/26/1140555326.db2.gz IVDUOUFTQYEQLJ-CYBMUJFWSA-N 1 2 348.468 3.951 20 0 EHADLO Cc1ccc(-c2nc(NC(=O)CCc3c[nH+]cn3C)sc2C)s1 ZINC000193157515 1140566151 /nfs/dbraw/zinc/56/61/51/1140566151.db2.gz ZGUCIYXLAATDMJ-UHFFFAOYSA-N 1 2 346.481 3.793 20 0 EHADLO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266151619 1140648059 /nfs/dbraw/zinc/64/80/59/1140648059.db2.gz RCUBUBVNAOVYCQ-UHFFFAOYSA-N 1 2 338.386 3.564 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cs1 ZINC000266242010 1140659002 /nfs/dbraw/zinc/65/90/02/1140659002.db2.gz XKOODDQGJGXLSG-JTQLQIEISA-N 1 2 328.384 3.742 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266531651 1140699104 /nfs/dbraw/zinc/69/91/04/1140699104.db2.gz MIRNXZFUIUBWSC-XJKSGUPXSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266531651 1140699108 /nfs/dbraw/zinc/69/91/08/1140699108.db2.gz MIRNXZFUIUBWSC-XJKSGUPXSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000266950365 1140741981 /nfs/dbraw/zinc/74/19/81/1140741981.db2.gz VGCFDKMTKWJOHY-ZDUSSCGKSA-N 1 2 348.244 3.500 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267255759 1140772649 /nfs/dbraw/zinc/77/26/49/1140772649.db2.gz CAHJZAPSTNWNND-IAGOWNOFSA-N 1 2 347.503 3.980 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000267322983 1140778075 /nfs/dbraw/zinc/77/80/75/1140778075.db2.gz KMKVBJYRZCYBLL-UHFFFAOYSA-N 1 2 333.819 3.623 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267458775 1140794214 /nfs/dbraw/zinc/79/42/14/1140794214.db2.gz IWACZYBYWWVXEN-UHFFFAOYSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](c3cccnc3)C(C)C)ccc2[nH+]1 ZINC000267541896 1140802261 /nfs/dbraw/zinc/80/22/61/1140802261.db2.gz AHIGFLNWQXSPOT-KRWDZBQOSA-N 1 2 337.427 3.599 20 0 EHADLO CCC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000267796882 1140834957 /nfs/dbraw/zinc/83/49/57/1140834957.db2.gz PAMLBTBJLXTRGS-HNNXBMFYSA-N 1 2 331.460 3.534 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267926390 1140851112 /nfs/dbraw/zinc/85/11/12/1140851112.db2.gz KTLAGIIALZGVSU-QGZVFWFLSA-N 1 2 329.465 3.602 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccncc1 ZINC000267945311 1140853664 /nfs/dbraw/zinc/85/36/64/1140853664.db2.gz VKHDUHSFZWPJEV-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccncc1 ZINC000267945311 1140853674 /nfs/dbraw/zinc/85/36/74/1140853674.db2.gz VKHDUHSFZWPJEV-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nccn3Cc3ccccc3)CC2)c1 ZINC000268167368 1140896664 /nfs/dbraw/zinc/89/66/64/1140896664.db2.gz FXOJJEHOGUOPFH-UHFFFAOYSA-N 1 2 333.435 3.719 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268355729 1140925794 /nfs/dbraw/zinc/92/57/94/1140925794.db2.gz RTMWJSRFHVSBLQ-ZIFCJYIRSA-N 1 2 340.471 3.669 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]C[C@H]3CCCCO3)c3ccccc3)n2)cc1 ZINC000268566427 1140955779 /nfs/dbraw/zinc/95/57/79/1140955779.db2.gz KSBZHZMREOMBDE-RTBURBONSA-N 1 2 349.434 3.985 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268731658 1140978495 /nfs/dbraw/zinc/97/84/95/1140978495.db2.gz UGLQERDBYIAOEL-RLLQIKCJSA-N 1 2 341.499 3.525 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc([S@](C)=O)cc1 ZINC000268959322 1141033622 /nfs/dbraw/zinc/03/36/22/1141033622.db2.gz FGRYEQZZCTZXIB-AUADJRAKSA-N 1 2 348.415 3.750 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269008323 1141044952 /nfs/dbraw/zinc/04/49/52/1141044952.db2.gz YNBMHRSGVQZOCH-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc2c(c1)OCCO2 ZINC000269116117 1141067492 /nfs/dbraw/zinc/06/74/92/1141067492.db2.gz WOLSCMKIBBNSID-ZDUSSCGKSA-N 1 2 333.457 3.674 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269762549 1141142418 /nfs/dbraw/zinc/14/24/18/1141142418.db2.gz YTHLTNKSMYIEOA-WBVHZDCISA-N 1 2 341.455 3.708 20 0 EHADLO CC(C)C[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269805311 1141146668 /nfs/dbraw/zinc/14/66/68/1141146668.db2.gz MFEIXBLJSFEGSD-CVEARBPZSA-N 1 2 333.476 3.636 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H](C)C1 ZINC000269883227 1141154089 /nfs/dbraw/zinc/15/40/89/1141154089.db2.gz ZTCDWOXKRIMDOO-DLBZAZTESA-N 1 2 340.471 3.509 20 0 EHADLO CC[C@@H](SC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270182123 1141189228 /nfs/dbraw/zinc/18/92/28/1141189228.db2.gz BRDORCAGNRBVPD-MRXNPFEDSA-N 1 2 327.453 3.682 20 0 EHADLO CCCCCOCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270435838 1141222862 /nfs/dbraw/zinc/22/28/62/1141222862.db2.gz IZKPIGGRIDMVFA-UHFFFAOYSA-N 1 2 339.439 3.747 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)oc1C1CC1 ZINC000270604608 1141244060 /nfs/dbraw/zinc/24/40/60/1141244060.db2.gz MKFUFBSFDGQHAK-OAHLLOKOSA-N 1 2 326.396 3.660 20 0 EHADLO c1nc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)oc1C1CC1 ZINC000270604608 1141244065 /nfs/dbraw/zinc/24/40/65/1141244065.db2.gz MKFUFBSFDGQHAK-OAHLLOKOSA-N 1 2 326.396 3.660 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000271043241 1141299373 /nfs/dbraw/zinc/29/93/73/1141299373.db2.gz ONGFBKBIMCAUOG-IBGZPJMESA-N 1 2 327.472 3.828 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000271043241 1141299378 /nfs/dbraw/zinc/29/93/78/1141299378.db2.gz ONGFBKBIMCAUOG-IBGZPJMESA-N 1 2 327.472 3.828 20 0 EHADLO CC(C)(C)c1noc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000271081125 1141305812 /nfs/dbraw/zinc/30/58/12/1141305812.db2.gz QZYDOHQZEJLUDA-UHFFFAOYSA-N 1 2 349.438 3.894 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1O ZINC000271134294 1141312419 /nfs/dbraw/zinc/31/24/19/1141312419.db2.gz RJKQCPCYMZWOHV-QGZVFWFLSA-N 1 2 337.423 3.625 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1O ZINC000271134294 1141312426 /nfs/dbraw/zinc/31/24/26/1141312426.db2.gz RJKQCPCYMZWOHV-QGZVFWFLSA-N 1 2 337.423 3.625 20 0 EHADLO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1nccn1CC(F)(F)F ZINC000271167515 1141317687 /nfs/dbraw/zinc/31/76/87/1141317687.db2.gz SRUIFMVQJIDCKM-NSCUHMNNSA-N 1 2 327.325 3.730 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1nccn1CC(F)(F)F ZINC000271167515 1141317702 /nfs/dbraw/zinc/31/77/02/1141317702.db2.gz SRUIFMVQJIDCKM-NSCUHMNNSA-N 1 2 327.325 3.730 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247844 1141333081 /nfs/dbraw/zinc/33/30/81/1141333081.db2.gz CRMDLSMYLDTDBK-RBBKRZOGSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247844 1141333087 /nfs/dbraw/zinc/33/30/87/1141333087.db2.gz CRMDLSMYLDTDBK-RBBKRZOGSA-N 1 2 348.446 3.559 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000271256862 1141335202 /nfs/dbraw/zinc/33/52/02/1141335202.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000271256862 1141335208 /nfs/dbraw/zinc/33/52/08/1141335208.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000271256862 1141335214 /nfs/dbraw/zinc/33/52/14/1141335214.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000271256862 1141335221 /nfs/dbraw/zinc/33/52/21/1141335221.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)n[nH]1 ZINC000271256862 1141335227 /nfs/dbraw/zinc/33/52/27/1141335227.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n[nH]1 ZINC000271256862 1141335233 /nfs/dbraw/zinc/33/52/33/1141335233.db2.gz GDWBRMUGVUACER-OAHLLOKOSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nnc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)s1 ZINC000271363312 1141351934 /nfs/dbraw/zinc/35/19/34/1141351934.db2.gz AIIDLPDSUFDKFH-UHFFFAOYSA-N 1 2 338.274 3.778 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(C(C)(C)C)o2)cc(OC)c1OC ZINC000271643583 1141411900 /nfs/dbraw/zinc/41/19/00/1141411900.db2.gz CYIATQIUWMXYCT-LBPRGKRZSA-N 1 2 348.443 3.849 20 0 EHADLO CC(C)c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)nn1C ZINC000273805940 1141423804 /nfs/dbraw/zinc/42/38/04/1141423804.db2.gz VHWUKZKURLFMIQ-UHFFFAOYSA-N 1 2 348.410 3.505 20 0 EHADLO c1cn(CCc2nc(-c3ccccc3OCC3CCCC3)no2)c[nH+]1 ZINC000273840135 1141430281 /nfs/dbraw/zinc/43/02/81/1141430281.db2.gz FEVHLTRLQPBOKP-UHFFFAOYSA-N 1 2 338.411 3.745 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C)cc(C)cc3C)CCC2)n1 ZINC000274061195 1141469864 /nfs/dbraw/zinc/46/98/64/1141469864.db2.gz QIPICWBFAZSRPM-UHFFFAOYSA-N 1 2 343.496 3.984 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000274253851 1141489993 /nfs/dbraw/zinc/48/99/93/1141489993.db2.gz SVBITWIKNMJSFS-STQMWFEESA-N 1 2 327.457 3.503 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000274313522 1141496754 /nfs/dbraw/zinc/49/67/54/1141496754.db2.gz BHIREBAFOGFOFO-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1ccccc1OCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339138299 1141507375 /nfs/dbraw/zinc/50/73/75/1141507375.db2.gz JAFVDFFKDIYZJP-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](C)O)c(Br)c1 ZINC000339154649 1141512541 /nfs/dbraw/zinc/51/25/41/1141512541.db2.gz AHBRJKBQZOJOSZ-ZDUSSCGKSA-N 1 2 338.245 3.734 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H](C)O)c(Br)c1 ZINC000339154649 1141512543 /nfs/dbraw/zinc/51/25/43/1141512543.db2.gz AHBRJKBQZOJOSZ-ZDUSSCGKSA-N 1 2 338.245 3.734 20 0 EHADLO Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccn4cc[nH+]c4c3)c12 ZINC000339208880 1141528436 /nfs/dbraw/zinc/52/84/36/1141528436.db2.gz PBCRPDXBLKNHCF-UHFFFAOYSA-N 1 2 335.367 3.555 20 0 EHADLO COc1ccccc1COC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC000283141355 1141560219 /nfs/dbraw/zinc/56/02/19/1141560219.db2.gz NYQVELNDYIBZHR-ZDUSSCGKSA-N 1 2 347.484 3.597 20 0 EHADLO CC(C)c1csc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000348797211 1141580665 /nfs/dbraw/zinc/58/06/65/1141580665.db2.gz FWUDTFPWTTYQTP-CYBMUJFWSA-N 1 2 329.469 3.652 20 0 EHADLO CC(C)c1csc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000348797211 1141580667 /nfs/dbraw/zinc/58/06/67/1141580667.db2.gz FWUDTFPWTTYQTP-CYBMUJFWSA-N 1 2 329.469 3.652 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1(C)C ZINC001296172096 1141590673 /nfs/dbraw/zinc/59/06/73/1141590673.db2.gz YKRBRAUUHIHUEY-ZACQAIPSSA-N 1 2 329.488 3.947 20 0 EHADLO Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000349060903 1141631467 /nfs/dbraw/zinc/63/14/67/1141631467.db2.gz HGSXBVPNYWNJAY-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000349060903 1141631470 /nfs/dbraw/zinc/63/14/70/1141631470.db2.gz HGSXBVPNYWNJAY-CYBMUJFWSA-N 1 2 334.826 3.854 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349076190 1141633534 /nfs/dbraw/zinc/63/35/34/1141633534.db2.gz CEZYXHMVPKLEKU-YLJYHZDGSA-N 1 2 345.446 3.966 20 0 EHADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1Cc2ccccc2O1 ZINC000078651463 217095414 /nfs/dbraw/zinc/09/54/14/217095414.db2.gz YFTJPONKOPCJHU-IBGZPJMESA-N 1 2 332.359 3.816 20 0 EHADLO Cc1cc2cc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000119577640 221351513 /nfs/dbraw/zinc/35/15/13/221351513.db2.gz VJICXTXFQATDJL-ZRGWGRIASA-N 1 2 343.471 3.549 20 0 EHADLO Cc1cc2cc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000119577640 221351514 /nfs/dbraw/zinc/35/15/14/221351514.db2.gz VJICXTXFQATDJL-ZRGWGRIASA-N 1 2 343.471 3.549 20 0 EHADLO Cc1nc(N[C@@H](C)c2ncccc2F)c(Br)c(C)[nH+]1 ZINC000528261526 478696591 /nfs/dbraw/zinc/69/65/91/478696591.db2.gz HBYLZHZDKOCOBM-QMMMGPOBSA-N 1 2 325.185 3.563 20 0 EHADLO C[C@@H](CC(=O)[O-])[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000820088696 598214118 /nfs/dbraw/zinc/21/41/18/598214118.db2.gz CQKCVWSSZRACKJ-INIZCTEOSA-N 1 2 349.434 3.551 20 0 EHADLO CC(C)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000826965716 600758542 /nfs/dbraw/zinc/75/85/42/600758542.db2.gz BUWKGFCEFPBBBH-HNNXBMFYSA-N 1 2 345.270 3.582 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000822758774 606099298 /nfs/dbraw/zinc/09/92/98/606099298.db2.gz YJSDHSVQNXVUCR-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000822758774 606099301 /nfs/dbraw/zinc/09/93/01/606099301.db2.gz YJSDHSVQNXVUCR-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c(F)cccc1Cl ZINC000824606144 608553194 /nfs/dbraw/zinc/55/31/94/608553194.db2.gz NUKIXJIPFRWYCZ-VIFPVBQESA-N 1 2 349.772 3.649 20 0 EHADLO C[C@H](Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)n1cc[nH+]c1 ZINC000904451278 1032059340 /nfs/dbraw/zinc/05/93/40/1032059340.db2.gz VZLFCCONWCCFPN-CQSZACIVSA-N 1 2 347.378 3.924 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153249115 1125460012 /nfs/dbraw/zinc/46/00/12/1125460012.db2.gz LDYMXDDSBKSZOK-FUHWJXTLSA-N 1 2 334.508 3.936 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663733 1032084251 /nfs/dbraw/zinc/08/42/51/1032084251.db2.gz RVRYXFPXGWPSGY-QZTJIDSGSA-N 1 2 347.503 3.582 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000536663733 1032084270 /nfs/dbraw/zinc/08/42/70/1032084270.db2.gz RVRYXFPXGWPSGY-QZTJIDSGSA-N 1 2 347.503 3.582 20 0 EHADLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(C(F)(F)F)o1 ZINC000274505549 1014148382 /nfs/dbraw/zinc/14/83/82/1014148382.db2.gz JIEIYISUDKUJSS-UHFFFAOYSA-N 1 2 341.333 3.624 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000121246248 1014195320 /nfs/dbraw/zinc/19/53/20/1014195320.db2.gz SOCQLTPZEPFOEP-LLVKDONJSA-N 1 2 325.478 3.536 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1CCC2(CC2)CC1 ZINC000667045641 1032088060 /nfs/dbraw/zinc/08/80/60/1032088060.db2.gz LKHKYEWWNQYXLN-UHFFFAOYSA-N 1 2 339.439 3.871 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683113045 1014348432 /nfs/dbraw/zinc/34/84/32/1014348432.db2.gz BQDMTOKOQZCGLO-HZPDHXFCSA-N 1 2 336.435 3.661 20 0 EHADLO Cc1csc(C2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCCC2)n1 ZINC000654777956 1014394208 /nfs/dbraw/zinc/39/42/08/1014394208.db2.gz NSQGZXCXPSUYCX-UHFFFAOYSA-N 1 2 340.452 3.607 20 0 EHADLO CC(C)CCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904496736 1032094051 /nfs/dbraw/zinc/09/40/51/1032094051.db2.gz BTQQHOHXTWWFBJ-UHFFFAOYSA-N 1 2 343.471 3.938 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(OCCC(C)C)c1 ZINC000654881227 1014535992 /nfs/dbraw/zinc/53/59/92/1014535992.db2.gz GGEVCCODQBFNHW-MRXNPFEDSA-N 1 2 343.471 3.638 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(OCCC(C)C)c1 ZINC000654881227 1014536007 /nfs/dbraw/zinc/53/60/07/1014536007.db2.gz GGEVCCODQBFNHW-MRXNPFEDSA-N 1 2 343.471 3.638 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000339471432 1014537171 /nfs/dbraw/zinc/53/71/71/1014537171.db2.gz WZZXNOMEQMZOMQ-CTWPCTMYSA-N 1 2 337.467 3.710 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339475287 1014547863 /nfs/dbraw/zinc/54/78/63/1014547863.db2.gz XJERKWOZHRWTDL-QZTJIDSGSA-N 1 2 325.456 3.566 20 0 EHADLO CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1(C(=O)[O-])CCC1 ZINC001595286522 980362841 /nfs/dbraw/zinc/36/28/41/980362841.db2.gz GEUPKAPXEHVNTG-RDJZCZTQSA-N 1 2 332.488 3.739 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000339523549 1014693145 /nfs/dbraw/zinc/69/31/45/1014693145.db2.gz NJVIFBUHOHGMSX-AWEZNQCLSA-N 1 2 328.359 3.702 20 0 EHADLO COC[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459423178 1032103294 /nfs/dbraw/zinc/10/32/94/1032103294.db2.gz ZBUPEFNFLKAKQB-AWEZNQCLSA-N 1 2 336.229 3.632 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3CCOc4c(C)cccc43)ccc2[nH+]1 ZINC000530493321 1014798035 /nfs/dbraw/zinc/79/80/35/1014798035.db2.gz KOSLMIUFUBACEG-MRXNPFEDSA-N 1 2 336.395 3.596 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000620158840 1125488541 /nfs/dbraw/zinc/48/85/41/1125488541.db2.gz UWCFRMSHRICQKZ-QWHCGFSZSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000620158840 1125488543 /nfs/dbraw/zinc/48/85/43/1125488543.db2.gz UWCFRMSHRICQKZ-QWHCGFSZSA-N 1 2 339.357 3.537 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000126923303 1015105928 /nfs/dbraw/zinc/10/59/28/1015105928.db2.gz YLDODNHDQZJJLT-CQSZACIVSA-N 1 2 334.485 3.689 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000126923303 1015105933 /nfs/dbraw/zinc/10/59/33/1015105933.db2.gz YLDODNHDQZJJLT-CQSZACIVSA-N 1 2 334.485 3.689 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC001625804917 1015163782 /nfs/dbraw/zinc/16/37/82/1015163782.db2.gz CXFMEYMBNPKDRA-PTNGSMBKSA-N 1 2 337.448 3.713 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000655277338 1015308558 /nfs/dbraw/zinc/30/85/58/1015308558.db2.gz PKEOAGIQPZYGDO-ICSRJNTNSA-N 1 2 349.478 3.980 20 0 EHADLO CCSc1cccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000071020638 1015360534 /nfs/dbraw/zinc/36/05/34/1015360534.db2.gz GGJBPBJBPQSZEL-UHFFFAOYSA-N 1 2 325.437 3.936 20 0 EHADLO O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179436402 1015389720 /nfs/dbraw/zinc/38/97/20/1015389720.db2.gz MKOUYSPLVFEPQM-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CCCCC/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000179508762 1015414853 /nfs/dbraw/zinc/41/48/53/1015414853.db2.gz SFVHLUMSSVSOCO-ZSFFSCSXSA-N 1 2 335.513 3.769 20 0 EHADLO CCCCC/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000179508762 1015414863 /nfs/dbraw/zinc/41/48/63/1015414863.db2.gz SFVHLUMSSVSOCO-ZSFFSCSXSA-N 1 2 335.513 3.769 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000154393499 1015421271 /nfs/dbraw/zinc/42/12/71/1015421271.db2.gz MKAMSQBBMNLIIS-UHFFFAOYSA-N 1 2 336.867 3.551 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000154393499 1015421279 /nfs/dbraw/zinc/42/12/79/1015421279.db2.gz MKAMSQBBMNLIIS-UHFFFAOYSA-N 1 2 336.867 3.551 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+]3CCC[C@@H](C)CC3)c(=S)o2)cs1 ZINC000748084205 1015438628 /nfs/dbraw/zinc/43/86/28/1015438628.db2.gz SIAGRPRGJKDQPJ-LLVKDONJSA-N 1 2 338.502 3.641 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+]3CCC[C@@H](C)CC3)c(=S)o2)cs1 ZINC000748084205 1015438636 /nfs/dbraw/zinc/43/86/36/1015438636.db2.gz SIAGRPRGJKDQPJ-LLVKDONJSA-N 1 2 338.502 3.641 20 0 EHADLO O=C1Nc2cc(Br)ccc2/C1=C\c1cccc2[nH+]ccn21 ZINC000255001158 1015473751 /nfs/dbraw/zinc/47/37/51/1015473751.db2.gz QYBUFKXUNXZMLM-UKTHLTGXSA-N 1 2 340.180 3.590 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC001266318606 1015522884 /nfs/dbraw/zinc/52/28/84/1015522884.db2.gz WYTVRNKUIXDOLV-ORDJWYQNSA-N 1 2 341.499 3.795 20 0 EHADLO CC(C)(CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(=O)[O-] ZINC001590671213 990381124 /nfs/dbraw/zinc/38/11/24/990381124.db2.gz XTKCUMMIIWYUBJ-UHFFFAOYSA-N 1 2 349.862 3.540 20 0 EHADLO CC(C)(CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(=O)[O-] ZINC001590671213 990381129 /nfs/dbraw/zinc/38/11/29/990381129.db2.gz XTKCUMMIIWYUBJ-UHFFFAOYSA-N 1 2 349.862 3.540 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000182727244 1032123431 /nfs/dbraw/zinc/12/34/31/1032123431.db2.gz RTDGUBFDKGHBBW-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000182727244 1032123438 /nfs/dbraw/zinc/12/34/38/1032123438.db2.gz RTDGUBFDKGHBBW-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000134634081 1015712746 /nfs/dbraw/zinc/71/27/46/1015712746.db2.gz ONHLFWNXZUQKGI-UHFFFAOYSA-N 1 2 345.855 3.836 20 0 EHADLO C[C@@H](CC(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000154666542 1015734414 /nfs/dbraw/zinc/73/44/14/1015734414.db2.gz SNQLDFRHIQDNAA-ZDUSSCGKSA-N 1 2 339.361 3.602 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154755380 1015799683 /nfs/dbraw/zinc/79/96/83/1015799683.db2.gz SFAHXYVWQFPXAL-ZDUSSCGKSA-N 1 2 337.876 3.566 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000154799290 1015806923 /nfs/dbraw/zinc/80/69/23/1015806923.db2.gz GTTLGCBMJMYZST-UHFFFAOYSA-N 1 2 343.374 3.657 20 0 EHADLO COc1cccc2c(NCc3ccc(-c4ncon4)cc3)cc[nH+]c12 ZINC001167097634 1015814121 /nfs/dbraw/zinc/81/41/21/1015814121.db2.gz QAXYNMQODBPANI-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528335903 1032130141 /nfs/dbraw/zinc/13/01/41/1032130141.db2.gz FIIZXZCBEHCKMI-CQSZACIVSA-N 1 2 326.893 3.767 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528335903 1032130146 /nfs/dbraw/zinc/13/01/46/1032130146.db2.gz FIIZXZCBEHCKMI-CQSZACIVSA-N 1 2 326.893 3.767 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258213 994539400 /nfs/dbraw/zinc/53/94/00/994539400.db2.gz XSZGOVKEOLIJEI-RDJZCZTQSA-N 1 2 342.439 3.541 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593258213 994539407 /nfs/dbraw/zinc/53/94/07/994539407.db2.gz XSZGOVKEOLIJEI-RDJZCZTQSA-N 1 2 342.439 3.541 20 0 EHADLO CCOc1ccc2ccccc2c1COC(=O)CCCn1cc[nH+]c1 ZINC000728222130 1015954524 /nfs/dbraw/zinc/95/45/24/1015954524.db2.gz OMHPPVIRQQDMPG-UHFFFAOYSA-N 1 2 338.407 3.959 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683313697 1016093034 /nfs/dbraw/zinc/09/30/34/1016093034.db2.gz CBSDPRRDZJDYDG-LLVKDONJSA-N 1 2 342.201 3.806 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3[C@@H](C)C[C@@H]3C)cs2)c1 ZINC000547769203 1016093173 /nfs/dbraw/zinc/09/31/73/1016093173.db2.gz JYTWMQZEELRFMM-GJZGRUSLSA-N 1 2 343.496 3.924 20 0 EHADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cncc(F)c1 ZINC000275151264 1016099730 /nfs/dbraw/zinc/09/97/30/1016099730.db2.gz SHALSTALHCXAQQ-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cncc(F)c1 ZINC000275151264 1016099738 /nfs/dbraw/zinc/09/97/38/1016099738.db2.gz SHALSTALHCXAQQ-UHFFFAOYSA-N 1 2 333.382 3.599 20 0 EHADLO Clc1ccc2sc(CNc3cc(NCC4CC4)[nH+]cn3)nc2c1 ZINC000340019669 1016126356 /nfs/dbraw/zinc/12/63/56/1016126356.db2.gz RNKGADQWYMUBBG-UHFFFAOYSA-N 1 2 345.859 3.596 20 0 EHADLO Clc1ccc2sc(CNc3cc(NCC4CC4)nc[nH+]3)nc2c1 ZINC000340019669 1016126367 /nfs/dbraw/zinc/12/63/67/1016126367.db2.gz RNKGADQWYMUBBG-UHFFFAOYSA-N 1 2 345.859 3.596 20 0 EHADLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc(-c2ccsc2)n1 ZINC001167125793 1016207631 /nfs/dbraw/zinc/20/76/31/1016207631.db2.gz YWGNDVKVOJMJAH-UHFFFAOYSA-N 1 2 325.441 3.552 20 0 EHADLO Cc1nc(N2CCC[C@H]2c2ccc(Br)cn2)c(C)c(C)[nH+]1 ZINC000413376555 1016288880 /nfs/dbraw/zinc/28/88/80/1016288880.db2.gz NWHQBLTZPZGOPM-HNNXBMFYSA-N 1 2 347.260 3.901 20 0 EHADLO Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCCO2 ZINC000182878105 1032147117 /nfs/dbraw/zinc/14/71/17/1032147117.db2.gz WOGPBYLDMZEWCK-GOSISDBHSA-N 1 2 339.439 3.552 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120763001 1016450606 /nfs/dbraw/zinc/45/06/06/1016450606.db2.gz BUOOVTLCFKGXEK-SJORKVTESA-N 1 2 341.455 3.825 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120763001 1016450614 /nfs/dbraw/zinc/45/06/14/1016450614.db2.gz BUOOVTLCFKGXEK-SJORKVTESA-N 1 2 341.455 3.825 20 0 EHADLO CC1=C[C@@H](C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000430368414 1016500449 /nfs/dbraw/zinc/50/04/49/1016500449.db2.gz XGCDSSBRMOIHHB-CYBMUJFWSA-N 1 2 334.489 3.559 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCn2ccc3ccccc32)c2nnc[nH]2)cc1 ZINC000340177294 1016594335 /nfs/dbraw/zinc/59/43/35/1016594335.db2.gz DRGMBWHTXWLDHA-LJQANCHMSA-N 1 2 349.413 3.668 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185691 1016644933 /nfs/dbraw/zinc/64/49/33/1016644933.db2.gz OVXAOJYZPXYPDF-UWJYYQICSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185691 1016644939 /nfs/dbraw/zinc/64/49/39/1016644939.db2.gz OVXAOJYZPXYPDF-UWJYYQICSA-N 1 2 333.435 3.834 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199830 1016683288 /nfs/dbraw/zinc/68/32/88/1016683288.db2.gz FORGQKZPZYJYPK-LSDHHAIUSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)C(F)(F)F ZINC000340199830 1016683291 /nfs/dbraw/zinc/68/32/91/1016683291.db2.gz FORGQKZPZYJYPK-LSDHHAIUSA-N 1 2 340.345 3.619 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000376593319 1016709594 /nfs/dbraw/zinc/70/95/94/1016709594.db2.gz RSZCPSOBFUXLHG-GUYCJALGSA-N 1 2 330.407 3.700 20 0 EHADLO O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178696106 1016757412 /nfs/dbraw/zinc/75/74/12/1016757412.db2.gz SNGCUXINHXMPDK-UHFFFAOYSA-N 1 2 336.370 3.838 20 0 EHADLO O=C(NCCC1=CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376639846 1016947398 /nfs/dbraw/zinc/94/73/98/1016947398.db2.gz DKKYCZFNEQTNSL-QGZVFWFLSA-N 1 2 342.487 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CC(F)F)c3ccc(F)cc3)[nH+]c12 ZINC000579907615 1017040811 /nfs/dbraw/zinc/04/08/11/1017040811.db2.gz RPWVAWWXANJJRU-UHFFFAOYSA-N 1 2 347.340 3.623 20 0 EHADLO c1ccc2c(c1)O[C@@H](c1noc([C@H]3CC[N@H+]3C3CCCC3)n1)CS2 ZINC000924044638 1017068344 /nfs/dbraw/zinc/06/83/44/1017068344.db2.gz JYYPEHMUZCPJPJ-UKRRQHHQSA-N 1 2 343.452 3.985 20 0 EHADLO c1ccc2c(c1)O[C@@H](c1noc([C@H]3CC[N@@H+]3C3CCCC3)n1)CS2 ZINC000924044638 1017068354 /nfs/dbraw/zinc/06/83/54/1017068354.db2.gz JYYPEHMUZCPJPJ-UKRRQHHQSA-N 1 2 343.452 3.985 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)cnn1C ZINC000183336986 1032162939 /nfs/dbraw/zinc/16/29/39/1032162939.db2.gz ZAWBWLOXFQQCMZ-NSHDSACASA-N 1 2 330.819 3.888 20 0 EHADLO COc1cncc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000343752019 1032168021 /nfs/dbraw/zinc/16/80/21/1032168021.db2.gz DUHCLUVVVHCRDM-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3cc(C)ccc3s2)ccc1O ZINC000528373409 1032179607 /nfs/dbraw/zinc/17/96/07/1032179607.db2.gz QMYXLICXPSHRDK-UHFFFAOYSA-N 1 2 328.437 3.951 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3cc(C)ccc3s2)ccc1O ZINC000528373409 1032179609 /nfs/dbraw/zinc/17/96/09/1032179609.db2.gz QMYXLICXPSHRDK-UHFFFAOYSA-N 1 2 328.437 3.951 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cs1 ZINC000183731132 1032199988 /nfs/dbraw/zinc/19/99/88/1032199988.db2.gz PYHQTQLEKAPNIT-HNNXBMFYSA-N 1 2 335.860 3.996 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccccc3OC(F)(F)F)ccc2[nH+]1 ZINC000538189834 1032206921 /nfs/dbraw/zinc/20/69/21/1032206921.db2.gz AXJWMHDVVDNIDN-UHFFFAOYSA-N 1 2 335.285 3.794 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080923837 1032207694 /nfs/dbraw/zinc/20/76/94/1032207694.db2.gz VEOJCFHLYYAAGX-SFHVURJKSA-N 1 2 346.496 3.789 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1cccc(O)c1 ZINC000080923837 1032207712 /nfs/dbraw/zinc/20/77/12/1032207712.db2.gz VEOJCFHLYYAAGX-SFHVURJKSA-N 1 2 346.496 3.789 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528391625 1032214395 /nfs/dbraw/zinc/21/43/95/1032214395.db2.gz ARFHEHYJHWDBAL-CQSZACIVSA-N 1 2 337.423 3.667 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184024006 1032226149 /nfs/dbraw/zinc/22/61/49/1032226149.db2.gz NDUIHYVTFAUAFU-UHFFFAOYSA-N 1 2 344.846 3.788 20 0 EHADLO Clc1ccc(OCC[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000060942586 1032241154 /nfs/dbraw/zinc/24/11/54/1032241154.db2.gz WLZVKUBMPCAUDT-UHFFFAOYSA-N 1 2 336.888 3.598 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000683516497 1017243582 /nfs/dbraw/zinc/24/35/82/1017243582.db2.gz DTXQIWWVILPYQK-PKOBYXMFSA-N 1 2 343.430 3.624 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccco1 ZINC000528409683 1032250051 /nfs/dbraw/zinc/25/00/51/1032250051.db2.gz NIMTZUFDJCRYSR-HOTGVXAUSA-N 1 2 344.430 3.818 20 0 EHADLO CC1=CCC[C@H](C)[C@H]1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000538271843 1032261111 /nfs/dbraw/zinc/26/11/11/1032261111.db2.gz WCRHTYOINJXAPY-LPHOPBHVSA-N 1 2 329.488 3.695 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081178313 1032257621 /nfs/dbraw/zinc/25/76/21/1032257621.db2.gz JEDUCRXNYBZQAU-LPHOPBHVSA-N 1 2 325.456 3.972 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC=C(C)C2)cc(Br)c1O ZINC000459544572 1032262583 /nfs/dbraw/zinc/26/25/83/1032262583.db2.gz RCYIJKWKCQQSPO-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO CCOc1cc(C[N@H+]2CCC=C(C)C2)cc(Br)c1O ZINC000459544572 1032262594 /nfs/dbraw/zinc/26/25/94/1032262594.db2.gz RCYIJKWKCQQSPO-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)s1 ZINC000528446518 1032289001 /nfs/dbraw/zinc/28/90/01/1032289001.db2.gz APPJYBRWOHUWAR-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO CO[C@@H]1Cc2ccccc2N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000459590009 1032310797 /nfs/dbraw/zinc/31/07/97/1032310797.db2.gz YDTQVTUJYFAVAX-MRXNPFEDSA-N 1 2 325.412 3.616 20 0 EHADLO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459591546 1032312348 /nfs/dbraw/zinc/31/23/48/1032312348.db2.gz LLRNEGZTOUWRBE-INIZCTEOSA-N 1 2 348.878 3.612 20 0 EHADLO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459591546 1032312361 /nfs/dbraw/zinc/31/23/61/1032312361.db2.gz LLRNEGZTOUWRBE-INIZCTEOSA-N 1 2 348.878 3.612 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635533449 1032318278 /nfs/dbraw/zinc/31/82/78/1032318278.db2.gz ZNAIFEHJDSJAAS-SWLSCSKDSA-N 1 2 337.345 3.523 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184870329 1032327947 /nfs/dbraw/zinc/32/79/47/1032327947.db2.gz MOFBZEZELCLHIJ-JKSUJKDBSA-N 1 2 349.434 3.870 20 0 EHADLO C[N@H+](Cc1cc(CO)ccc1F)[C@]1(c2ccccc2)CCCCC1=O ZINC000528465442 1032334582 /nfs/dbraw/zinc/33/45/82/1032334582.db2.gz KGZJDUNTQRQHHF-NRFANRHFSA-N 1 2 341.426 3.788 20 0 EHADLO C[N@@H+](Cc1cc(CO)ccc1F)[C@]1(c2ccccc2)CCCCC1=O ZINC000528465442 1032334590 /nfs/dbraw/zinc/33/45/90/1032334590.db2.gz KGZJDUNTQRQHHF-NRFANRHFSA-N 1 2 341.426 3.788 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449226861 1032346453 /nfs/dbraw/zinc/34/64/53/1032346453.db2.gz RWXDDKKRYYAIQU-UHFFFAOYSA-N 1 2 340.240 3.731 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC[C@@H]3c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000081604857 1032351242 /nfs/dbraw/zinc/35/12/42/1032351242.db2.gz PFLHWOFPBQVLDP-QGZVFWFLSA-N 1 2 339.826 3.603 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC[C@@H]3c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000081604857 1032351253 /nfs/dbraw/zinc/35/12/53/1032351253.db2.gz PFLHWOFPBQVLDP-QGZVFWFLSA-N 1 2 339.826 3.603 20 0 EHADLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1cccc(Br)c1F ZINC000449254217 1032360180 /nfs/dbraw/zinc/36/01/80/1032360180.db2.gz WTPMRICNUGPYSP-JTQLQIEISA-N 1 2 326.213 3.515 20 0 EHADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1cccc(Br)c1F ZINC000449254217 1032360187 /nfs/dbraw/zinc/36/01/87/1032360187.db2.gz WTPMRICNUGPYSP-JTQLQIEISA-N 1 2 326.213 3.515 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccc(F)cc2Br)s1 ZINC000136248954 1032368970 /nfs/dbraw/zinc/36/89/70/1032368970.db2.gz QJBOQLKUHDEEDM-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC(Cc4ccc(C)cc4)C3)ccc2[nH+]1 ZINC000665951728 1032370111 /nfs/dbraw/zinc/37/01/11/1032370111.db2.gz TWSJMSBNVUMJFI-UHFFFAOYSA-N 1 2 334.423 3.658 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672093 1032400804 /nfs/dbraw/zinc/40/08/04/1032400804.db2.gz XDUMDTZGYTZYQK-CMPLNLGQSA-N 1 2 349.422 3.589 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672093 1032400812 /nfs/dbraw/zinc/40/08/12/1032400812.db2.gz XDUMDTZGYTZYQK-CMPLNLGQSA-N 1 2 349.422 3.589 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000185474415 1032401967 /nfs/dbraw/zinc/40/19/67/1032401967.db2.gz LAAWNDZMQPZWSQ-AWEZNQCLSA-N 1 2 346.500 3.668 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(OC)cc1 ZINC000536907488 1032419712 /nfs/dbraw/zinc/41/97/12/1032419712.db2.gz AHGUFYZGYSWWKZ-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(OC)cc1 ZINC000536907488 1032419724 /nfs/dbraw/zinc/41/97/24/1032419724.db2.gz AHGUFYZGYSWWKZ-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO CC(C)(C)c1nc(C[NH+]2CCC(O)(c3ccccc3)CC2)cs1 ZINC000185513580 1032436987 /nfs/dbraw/zinc/43/69/87/1032436987.db2.gz SRHZABPFFIFBAY-UHFFFAOYSA-N 1 2 330.497 3.924 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2OC)C[C@@H](C)[S@]1=O ZINC000449317056 1032450864 /nfs/dbraw/zinc/45/08/64/1032450864.db2.gz AJGGBMSVRMJJGV-CGROQTEOSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)C[C@@H](C)[S@]1=O ZINC000449317056 1032450870 /nfs/dbraw/zinc/45/08/70/1032450870.db2.gz AJGGBMSVRMJJGV-CGROQTEOSA-N 1 2 331.481 3.580 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000528578804 1032460074 /nfs/dbraw/zinc/46/00/74/1032460074.db2.gz FGTPEVCMWSFEJC-ODOQXGPZSA-N 1 2 337.395 3.950 20 0 EHADLO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000528578804 1032460076 /nfs/dbraw/zinc/46/00/76/1032460076.db2.gz FGTPEVCMWSFEJC-ODOQXGPZSA-N 1 2 337.395 3.950 20 0 EHADLO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459770906 1032461033 /nfs/dbraw/zinc/46/10/33/1032461033.db2.gz SXDZLSBPTWSFEY-MRXNPFEDSA-N 1 2 342.826 3.577 20 0 EHADLO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459770906 1032461037 /nfs/dbraw/zinc/46/10/37/1032461037.db2.gz SXDZLSBPTWSFEY-MRXNPFEDSA-N 1 2 342.826 3.577 20 0 EHADLO FC(F)n1ccnc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000449368513 1032481606 /nfs/dbraw/zinc/48/16/06/1032481606.db2.gz JXBRLJBYOALHBC-UHFFFAOYSA-N 1 2 347.287 3.956 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000086992323 1032477208 /nfs/dbraw/zinc/47/72/08/1032477208.db2.gz JZOQSYLEABSYFK-KDOFPFPSSA-N 1 2 344.434 3.641 20 0 EHADLO CC[C@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(F)F ZINC000449365466 1032478590 /nfs/dbraw/zinc/47/85/90/1032478590.db2.gz WDIJIMOLPNAHCI-NSHDSACASA-N 1 2 332.192 3.539 20 0 EHADLO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000459797726 1032480055 /nfs/dbraw/zinc/48/00/55/1032480055.db2.gz SZEJYZDWOHPQFP-IUCAKERBSA-N 1 2 342.251 3.733 20 0 EHADLO Clc1cccc(Cl)c1-c1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000459797726 1032480062 /nfs/dbraw/zinc/48/00/62/1032480062.db2.gz SZEJYZDWOHPQFP-IUCAKERBSA-N 1 2 342.251 3.733 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000537059273 1032497427 /nfs/dbraw/zinc/49/74/27/1032497427.db2.gz YUSLMCDDPIJSEZ-UHFFFAOYSA-N 1 2 335.407 3.833 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(-c3csc(C)n3)cc2)o1 ZINC000537052164 1032503172 /nfs/dbraw/zinc/50/31/72/1032503172.db2.gz UVMNOAKENBNXBY-NSHDSACASA-N 1 2 328.441 3.915 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000088785233 1032510923 /nfs/dbraw/zinc/51/09/23/1032510923.db2.gz YRUJIBSRBYZMPT-UKRRQHHQSA-N 1 2 330.407 3.507 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cc(C)ccn2)sc1Br ZINC000449399701 1032522286 /nfs/dbraw/zinc/52/22/86/1032522286.db2.gz CRGMAPXECBCIQS-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1oncc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000528632496 1032527026 /nfs/dbraw/zinc/52/70/26/1032527026.db2.gz CMSVJYISKQXYBQ-ZETCQYMHSA-N 1 2 331.160 3.875 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1c(F)cccc1Cl ZINC000537178064 1032548991 /nfs/dbraw/zinc/54/89/91/1032548991.db2.gz LWFKPAJFTSHANG-GFCCVEGCSA-N 1 2 332.806 3.719 20 0 EHADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000081476855 1032558133 /nfs/dbraw/zinc/55/81/33/1032558133.db2.gz XURQUIYYURGQLQ-HZPDHXFCSA-N 1 2 340.471 3.555 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000547857217 1017105287 /nfs/dbraw/zinc/10/52/87/1017105287.db2.gz SQFKRMCGBMBWCX-ZDUSSCGKSA-N 1 2 346.397 3.550 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1OC ZINC000449475485 1032596328 /nfs/dbraw/zinc/59/63/28/1032596328.db2.gz FOEGGLYLORYMJI-UHFFFAOYSA-N 1 2 337.851 3.551 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)s1 ZINC000606395517 1032673214 /nfs/dbraw/zinc/67/32/14/1032673214.db2.gz QLHUBLIPGUVLDG-UHFFFAOYSA-N 1 2 334.529 3.925 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000376939342 1017203953 /nfs/dbraw/zinc/20/39/53/1017203953.db2.gz LLIRSABCABFAMP-UHFFFAOYSA-N 1 2 346.862 3.516 20 0 EHADLO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(F)cc1Br ZINC000639136755 1017270822 /nfs/dbraw/zinc/27/08/22/1017270822.db2.gz QCCGMSXADCSPQI-PWSUYJOCSA-N 1 2 346.240 3.596 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(F)cc1Br ZINC000639136755 1017270832 /nfs/dbraw/zinc/27/08/32/1017270832.db2.gz QCCGMSXADCSPQI-PWSUYJOCSA-N 1 2 346.240 3.596 20 0 EHADLO CCCCCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890942112 1017405450 /nfs/dbraw/zinc/40/54/50/1017405450.db2.gz XDWCOTGTDABVQD-IAGOWNOFSA-N 1 2 329.444 3.726 20 0 EHADLO COc1ccncc1C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000340404010 1017406959 /nfs/dbraw/zinc/40/69/59/1017406959.db2.gz UYULPTXNRXNDIK-FQEVSTJZSA-N 1 2 337.398 3.812 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000613647667 1017426060 /nfs/dbraw/zinc/42/60/60/1017426060.db2.gz NMDWJCQPWTYWFT-LASHMREHSA-N 1 2 349.478 3.708 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000151974493 1017471041 /nfs/dbraw/zinc/47/10/41/1017471041.db2.gz OKOQHSLGGMJVBR-MSOLQXFVSA-N 1 2 343.515 3.893 20 0 EHADLO Cc1cccc2sc(N3CCC([N@H+](C)CC(F)F)CC3)nc21 ZINC000892829485 1017527154 /nfs/dbraw/zinc/52/71/54/1017527154.db2.gz XRJYRCZLYLFKJT-UHFFFAOYSA-N 1 2 325.428 3.770 20 0 EHADLO Cc1cccc2sc(N3CCC([N@@H+](C)CC(F)F)CC3)nc21 ZINC000892829485 1017527165 /nfs/dbraw/zinc/52/71/65/1017527165.db2.gz XRJYRCZLYLFKJT-UHFFFAOYSA-N 1 2 325.428 3.770 20 0 EHADLO Cc1nc(Nc2cccc3cc[nH]c32)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001210210149 1017540417 /nfs/dbraw/zinc/54/04/17/1017540417.db2.gz MKVJOUDFDPBAAE-CHWSQXEVSA-N 1 2 337.427 3.624 20 0 EHADLO CCC1(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCCC1 ZINC000472707465 1017558015 /nfs/dbraw/zinc/55/80/15/1017558015.db2.gz WELQXPTZOWBXIM-UHFFFAOYSA-N 1 2 345.512 3.963 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547953872 1017582768 /nfs/dbraw/zinc/58/27/68/1017582768.db2.gz BJDFJGXYBLWZEW-WMZOPIPTSA-N 1 2 340.471 3.593 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655794028 1017625618 /nfs/dbraw/zinc/62/56/18/1017625618.db2.gz HITBYKZENWBZIF-BBWFWOEESA-N 1 2 326.444 3.630 20 0 EHADLO CC1(C)CC[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655796264 1017629823 /nfs/dbraw/zinc/62/98/23/1017629823.db2.gz DSWLGEKSZYFQLA-HZPDHXFCSA-N 1 2 326.444 3.559 20 0 EHADLO C[C@@H](CCCc1cccnc1)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000413389871 1017633781 /nfs/dbraw/zinc/63/37/81/1017633781.db2.gz CEKHRBJTRUETTP-INIZCTEOSA-N 1 2 325.460 3.685 20 0 EHADLO C[C@@H](CCCc1cccnc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000413389871 1017633791 /nfs/dbraw/zinc/63/37/91/1017633791.db2.gz CEKHRBJTRUETTP-INIZCTEOSA-N 1 2 325.460 3.685 20 0 EHADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655798535 1017635611 /nfs/dbraw/zinc/63/56/11/1017635611.db2.gz XJDSDLIMQNABLY-PBHICJAKSA-N 1 2 344.459 3.686 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000655799122 1017640597 /nfs/dbraw/zinc/64/05/97/1017640597.db2.gz ZXWLOYMBZOURLZ-KBXCAEBGSA-N 1 2 349.438 3.569 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(C2CC2)c1 ZINC000574155289 1032714178 /nfs/dbraw/zinc/71/41/78/1032714178.db2.gz AFFZSHPRGQTAGY-KDOFPFPSSA-N 1 2 338.455 3.558 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740166 1032715404 /nfs/dbraw/zinc/71/54/04/1032715404.db2.gz RXFHJOLFGKCJHZ-UHFFFAOYSA-N 1 2 349.356 3.811 20 0 EHADLO FC(F)(F)Oc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740166 1032715409 /nfs/dbraw/zinc/71/54/09/1032715409.db2.gz RXFHJOLFGKCJHZ-UHFFFAOYSA-N 1 2 349.356 3.811 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000530953018 1017689934 /nfs/dbraw/zinc/68/99/34/1017689934.db2.gz UQUZIHYDCZTVSU-APWZRJJASA-N 1 2 334.467 3.706 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000530953018 1017689939 /nfs/dbraw/zinc/68/99/39/1017689939.db2.gz UQUZIHYDCZTVSU-APWZRJJASA-N 1 2 334.467 3.706 20 0 EHADLO C[C@@H]1CCN(c2ccc3cc(Cl)cnc3n2)C[C@H]1n1cc[nH+]c1 ZINC000892912544 1017700316 /nfs/dbraw/zinc/70/03/16/1017700316.db2.gz VFCGPTVJVXZIOA-IUODEOHRSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1cc(N[C@@H](c2nnc3ccccn32)C(C)C)nc(C2CCC2)[nH+]1 ZINC000892913501 1017712923 /nfs/dbraw/zinc/71/29/23/1017712923.db2.gz DEWZBCYMKLGALD-QGZVFWFLSA-N 1 2 336.443 3.904 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046856286 1017744124 /nfs/dbraw/zinc/74/41/24/1017744124.db2.gz ONOSYAUXXMPENT-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046856286 1017744135 /nfs/dbraw/zinc/74/41/35/1017744135.db2.gz ONOSYAUXXMPENT-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ncc(Br)cn1 ZINC000340428637 1017760405 /nfs/dbraw/zinc/76/04/05/1017760405.db2.gz XKFORSJTUPJKMF-DTWKUNHWSA-N 1 2 342.187 3.929 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)cs1 ZINC000246367802 1017846707 /nfs/dbraw/zinc/84/67/07/1017846707.db2.gz HGKJEVDTPLDWBQ-GDBMZVCRSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cs1 ZINC000246367802 1017846730 /nfs/dbraw/zinc/84/67/30/1017846730.db2.gz HGKJEVDTPLDWBQ-GDBMZVCRSA-N 1 2 326.506 3.878 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000606492557 1032725527 /nfs/dbraw/zinc/72/55/27/1032725527.db2.gz MOUJRYHEWGQXQU-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177634089 1017934993 /nfs/dbraw/zinc/93/49/93/1017934993.db2.gz DBWMHXFKYCNBKK-KGLIPLIRSA-N 1 2 343.858 3.533 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177634089 1017934997 /nfs/dbraw/zinc/93/49/97/1017934997.db2.gz DBWMHXFKYCNBKK-KGLIPLIRSA-N 1 2 343.858 3.533 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001143495769 1017942995 /nfs/dbraw/zinc/94/29/95/1017942995.db2.gz SMZFPPACQMCHHZ-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001143495769 1017943006 /nfs/dbraw/zinc/94/30/06/1017943006.db2.gz SMZFPPACQMCHHZ-HNNXBMFYSA-N 1 2 348.393 3.802 20 0 EHADLO CCCc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1Cl ZINC000472793526 1017965924 /nfs/dbraw/zinc/96/59/24/1017965924.db2.gz XVDLBKXBRUUJNK-UHFFFAOYSA-N 1 2 349.887 3.989 20 0 EHADLO CCCc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1Cl ZINC000472793526 1017965939 /nfs/dbraw/zinc/96/59/39/1017965939.db2.gz XVDLBKXBRUUJNK-UHFFFAOYSA-N 1 2 349.887 3.989 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ocnc1C1CC1 ZINC000377555758 1017973326 /nfs/dbraw/zinc/97/33/26/1017973326.db2.gz WHVXGVHXEVZZBZ-UHFFFAOYSA-N 1 2 349.390 3.971 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000255062132 1017992863 /nfs/dbraw/zinc/99/28/63/1017992863.db2.gz GJUGOSFIVDSJJA-MWWKQMNYSA-N 1 2 349.356 3.606 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000625378054 1018004433 /nfs/dbraw/zinc/00/44/33/1018004433.db2.gz IPKCLFSQBLPNQT-MRVPVSSYSA-N 1 2 334.338 3.644 20 0 EHADLO FC(F)Cn1cc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cn1 ZINC000628460366 1018009399 /nfs/dbraw/zinc/00/93/99/1018009399.db2.gz SUZKUHVVVSZRRA-UHFFFAOYSA-N 1 2 345.315 3.725 20 0 EHADLO FC(F)Cn1cc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cn1 ZINC000628460366 1018009413 /nfs/dbraw/zinc/00/94/13/1018009413.db2.gz SUZKUHVVVSZRRA-UHFFFAOYSA-N 1 2 345.315 3.725 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009768 1018050294 /nfs/dbraw/zinc/05/02/94/1018050294.db2.gz MCUFTAHQGVBNRN-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009768 1018050305 /nfs/dbraw/zinc/05/03/05/1018050305.db2.gz MCUFTAHQGVBNRN-OCCSQVGLSA-N 1 2 348.368 3.920 20 0 EHADLO CCc1nnc([C@H](C)[N@H+](CC)Cc2cccc(Br)c2)[nH]1 ZINC000659856576 1018142213 /nfs/dbraw/zinc/14/22/13/1018142213.db2.gz FEXXZCSESUQMKA-NSHDSACASA-N 1 2 337.265 3.713 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+](CC)Cc2cccc(Br)c2)[nH]1 ZINC000659856576 1018142224 /nfs/dbraw/zinc/14/22/24/1018142224.db2.gz FEXXZCSESUQMKA-NSHDSACASA-N 1 2 337.265 3.713 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3ccc(Cl)s3)ccc2[nH+]1 ZINC000606569815 1032755555 /nfs/dbraw/zinc/75/55/55/1032755555.db2.gz ZBFOMYYWBKNMAY-UHFFFAOYSA-N 1 2 334.832 3.722 20 0 EHADLO Cc1cnn([C@@H]2CC[N@H+](Cc3csc(Cc4ccccc4)n3)C2)c1 ZINC000377768622 1018341643 /nfs/dbraw/zinc/34/16/43/1018341643.db2.gz RPPASSBRNLCCLT-GOSISDBHSA-N 1 2 338.480 3.686 20 0 EHADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3csc(Cc4ccccc4)n3)C2)c1 ZINC000377768622 1018341660 /nfs/dbraw/zinc/34/16/60/1018341660.db2.gz RPPASSBRNLCCLT-GOSISDBHSA-N 1 2 338.480 3.686 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656046676 1018352274 /nfs/dbraw/zinc/35/22/74/1018352274.db2.gz AUAWEXBIMHUKGD-UTUOFQBUSA-N 1 2 344.365 3.958 20 0 EHADLO CN(Cc1csc2ccccc12)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377778713 1018362601 /nfs/dbraw/zinc/36/26/01/1018362601.db2.gz KDJNHMPVXYVCIV-AWEZNQCLSA-N 1 2 325.437 3.703 20 0 EHADLO COc1cc(C)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000548029417 1018385453 /nfs/dbraw/zinc/38/54/53/1018385453.db2.gz KOHZYQSPILDUSD-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO Cc1ccc2nc(CNc3cc[nH+]c(OCC(F)(F)F)c3)cn2c1 ZINC000340556211 1018421761 /nfs/dbraw/zinc/42/17/61/1018421761.db2.gz HOEKWAZGMUVGTC-UHFFFAOYSA-N 1 2 336.317 3.591 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580622 1032763763 /nfs/dbraw/zinc/76/37/63/1032763763.db2.gz WMPNWQVHSCYURO-INIZCTEOSA-N 1 2 336.395 3.712 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000606583594 1032766640 /nfs/dbraw/zinc/76/66/40/1032766640.db2.gz HRGRGGMTXSFYBM-UHFFFAOYSA-N 1 2 338.386 3.918 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581773 1032767897 /nfs/dbraw/zinc/76/78/97/1032767897.db2.gz POJSBHCEBXRFNU-UHFFFAOYSA-N 1 2 330.338 3.667 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3c(OC)cccc23)C12CCOCC2 ZINC000275769046 1018585727 /nfs/dbraw/zinc/58/57/27/1018585727.db2.gz GVAZAZRXXFSCSD-ZWKOTPCHSA-N 1 2 342.439 3.630 20 0 EHADLO Fc1ccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)nc1 ZINC000340583678 1018588739 /nfs/dbraw/zinc/58/87/39/1018588739.db2.gz IZALGOBBCFHEHD-AWEZNQCLSA-N 1 2 339.183 3.899 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C\c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000255094832 1018594168 /nfs/dbraw/zinc/59/41/68/1018594168.db2.gz YCWCEOMFTOBUIR-JKNDFLROSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000027558553 1018601274 /nfs/dbraw/zinc/60/12/74/1018601274.db2.gz UYPLRGOHOTWSLS-GFCCVEGCSA-N 1 2 333.407 3.743 20 0 EHADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000027558553 1018601283 /nfs/dbraw/zinc/60/12/83/1018601283.db2.gz UYPLRGOHOTWSLS-GFCCVEGCSA-N 1 2 333.407 3.743 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)c1ccccc1F ZINC000580082448 1018608963 /nfs/dbraw/zinc/60/89/63/1018608963.db2.gz DJBQKSXGSLUXTD-BZNIZROVSA-N 1 2 338.220 3.800 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000606617988 1032773349 /nfs/dbraw/zinc/77/33/49/1032773349.db2.gz VYKQEUGSWVXVQV-AOIWGVFYSA-N 1 2 340.471 3.763 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)cs1 ZINC000593118941 1032779104 /nfs/dbraw/zinc/77/91/04/1032779104.db2.gz XDOTVHTUYLANDH-LBPRGKRZSA-N 1 2 348.443 3.621 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)cs1 ZINC000593118941 1032779120 /nfs/dbraw/zinc/77/91/20/1032779120.db2.gz XDOTVHTUYLANDH-LBPRGKRZSA-N 1 2 348.443 3.621 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000255134588 1018699733 /nfs/dbraw/zinc/69/97/33/1018699733.db2.gz GITWRSQIDRWHPZ-LCYFTJDESA-N 1 2 339.464 3.604 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1F ZINC000683826954 1018726256 /nfs/dbraw/zinc/72/62/56/1018726256.db2.gz ALPAUGQTLWGJCB-UHFFFAOYSA-N 1 2 342.414 3.741 20 0 EHADLO CCOc1ccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)cc1F ZINC000683826954 1018726273 /nfs/dbraw/zinc/72/62/73/1018726273.db2.gz ALPAUGQTLWGJCB-UHFFFAOYSA-N 1 2 342.414 3.741 20 0 EHADLO CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000052279820 1018782264 /nfs/dbraw/zinc/78/22/64/1018782264.db2.gz XJKORNGTMVXFDU-GFCCVEGCSA-N 1 2 339.277 3.898 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000052440433 1018811549 /nfs/dbraw/zinc/81/15/49/1018811549.db2.gz NKLLSYBXGWWEEP-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CCc2ccccc21 ZINC000047406049 1018884038 /nfs/dbraw/zinc/88/40/38/1018884038.db2.gz QJTNSCRKTVMAIM-FQEVSTJZSA-N 1 2 332.447 3.865 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CCc2ccccc21 ZINC000047406049 1018884052 /nfs/dbraw/zinc/88/40/52/1018884052.db2.gz QJTNSCRKTVMAIM-FQEVSTJZSA-N 1 2 332.447 3.865 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F)c1ccccc1 ZINC000513070298 1018890308 /nfs/dbraw/zinc/89/03/08/1018890308.db2.gz RNTWNLZFBWKYIN-SFHVURJKSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F)c1ccccc1 ZINC000513070298 1018890327 /nfs/dbraw/zinc/89/03/27/1018890327.db2.gz RNTWNLZFBWKYIN-SFHVURJKSA-N 1 2 344.405 3.749 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419374727 1018970487 /nfs/dbraw/zinc/97/04/87/1018970487.db2.gz OTCVXLOCVZYHID-QGZVFWFLSA-N 1 2 343.496 3.686 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419374727 1018970504 /nfs/dbraw/zinc/97/05/04/1018970504.db2.gz OTCVXLOCVZYHID-QGZVFWFLSA-N 1 2 343.496 3.686 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F)c1ccccc1 ZINC000513091349 1018993884 /nfs/dbraw/zinc/99/38/84/1018993884.db2.gz ZPPARLGRFFYYBT-SFHVURJKSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F)c1ccccc1 ZINC000513091349 1018993903 /nfs/dbraw/zinc/99/39/03/1018993903.db2.gz ZPPARLGRFFYYBT-SFHVURJKSA-N 1 2 344.405 3.749 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000340652662 1019091085 /nfs/dbraw/zinc/09/10/85/1019091085.db2.gz YAORTUIUUIBVEM-UHFFFAOYSA-N 1 2 340.858 3.679 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000340652662 1019091104 /nfs/dbraw/zinc/09/11/04/1019091104.db2.gz YAORTUIUUIBVEM-UHFFFAOYSA-N 1 2 340.858 3.679 20 0 EHADLO Cc1cc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2[nH]1 ZINC000052589063 1019100345 /nfs/dbraw/zinc/10/03/45/1019100345.db2.gz ZYLOWVIZWWYJDZ-UHFFFAOYSA-N 1 2 330.391 3.973 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)Cc1cccs1 ZINC000042300149 1019151890 /nfs/dbraw/zinc/15/18/90/1019151890.db2.gz FDXJQYBAEVDYSS-JTQLQIEISA-N 1 2 349.456 3.956 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)Cc1cccs1 ZINC000042300149 1019151908 /nfs/dbraw/zinc/15/19/08/1019151908.db2.gz FDXJQYBAEVDYSS-JTQLQIEISA-N 1 2 349.456 3.956 20 0 EHADLO CCN(CCc1cccs1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340673492 1019158924 /nfs/dbraw/zinc/15/89/24/1019158924.db2.gz VVPSGIGDQMWTNM-UHFFFAOYSA-N 1 2 339.464 3.698 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cc4ccccc4[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000683922307 1019253329 /nfs/dbraw/zinc/25/33/29/1019253329.db2.gz BLSIJNVVHXAHMK-GJZGRUSLSA-N 1 2 336.439 3.789 20 0 EHADLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804758 1019266101 /nfs/dbraw/zinc/26/61/01/1019266101.db2.gz GGRGIOZSEHJNJI-CQSZACIVSA-N 1 2 346.500 3.555 20 0 EHADLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804758 1019266111 /nfs/dbraw/zinc/26/61/11/1019266111.db2.gz GGRGIOZSEHJNJI-CQSZACIVSA-N 1 2 346.500 3.555 20 0 EHADLO CC1(C)CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[S@]1=O ZINC000449571361 1032824975 /nfs/dbraw/zinc/82/49/75/1032824975.db2.gz JZBSXRJLMGZUGW-JOCHJYFZSA-N 1 2 334.510 3.543 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[S@]1=O ZINC000449571361 1032824989 /nfs/dbraw/zinc/82/49/89/1032824989.db2.gz JZBSXRJLMGZUGW-JOCHJYFZSA-N 1 2 334.510 3.543 20 0 EHADLO CC1(C)CC[N@H+](Cc2cc(Cl)cc3cccnc32)CC[S@@]1=O ZINC000449573929 1032829432 /nfs/dbraw/zinc/82/94/32/1032829432.db2.gz UQKYZRGZYOWJGM-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[S@@]1=O ZINC000449573929 1032829435 /nfs/dbraw/zinc/82/94/35/1032829435.db2.gz UQKYZRGZYOWJGM-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc2cc[nH]c2c1 ZINC000433611750 1019440844 /nfs/dbraw/zinc/44/08/44/1019440844.db2.gz FBUYEOSZUVHKEB-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO CCOc1ccc([C@@H](COC)[NH2+]Cc2cc(O)ccc2Cl)cc1 ZINC000625402221 1019452671 /nfs/dbraw/zinc/45/26/71/1019452671.db2.gz WCVPGWVHUHKMOK-GOSISDBHSA-N 1 2 335.831 3.922 20 0 EHADLO c1nc(C[N@@H+]2CCCC[C@H]2c2ccccc2)sc1C1OCCO1 ZINC000289695043 1019575566 /nfs/dbraw/zinc/57/55/66/1019575566.db2.gz NGVJIHOQZJQQDY-HNNXBMFYSA-N 1 2 330.453 3.916 20 0 EHADLO c1nc(C[N@H+]2CCCC[C@H]2c2ccccc2)sc1C1OCCO1 ZINC000289695043 1019575575 /nfs/dbraw/zinc/57/55/75/1019575575.db2.gz NGVJIHOQZJQQDY-HNNXBMFYSA-N 1 2 330.453 3.916 20 0 EHADLO Fc1cccc(F)c1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433784263 1019607665 /nfs/dbraw/zinc/60/76/65/1019607665.db2.gz VIFHLSGZFOSDGX-UHFFFAOYSA-N 1 2 344.409 3.739 20 0 EHADLO Fc1cccc(F)c1C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433784263 1019607671 /nfs/dbraw/zinc/60/76/71/1019607671.db2.gz VIFHLSGZFOSDGX-UHFFFAOYSA-N 1 2 344.409 3.739 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCCc2nc3c(s2)CCCC3)[nH+]1 ZINC000433773885 1019608972 /nfs/dbraw/zinc/60/89/72/1019608972.db2.gz LEVZJRSEFYVAOL-UHFFFAOYSA-N 1 2 327.457 3.598 20 0 EHADLO Fc1cc(Cl)ccc1-c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000340724630 1019619764 /nfs/dbraw/zinc/61/97/64/1019619764.db2.gz CBZCRMXPHYCHQX-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO Cc1cc(OCC[N@@H+]2CCOC[C@H]2CC(F)F)ccc1C(C)C ZINC000513406909 1019626044 /nfs/dbraw/zinc/62/60/44/1019626044.db2.gz ZCIGSFPGHRAICV-OAHLLOKOSA-N 1 2 327.415 3.853 20 0 EHADLO Cc1cc(OCC[N@H+]2CCOC[C@H]2CC(F)F)ccc1C(C)C ZINC000513406909 1019626057 /nfs/dbraw/zinc/62/60/57/1019626057.db2.gz ZCIGSFPGHRAICV-OAHLLOKOSA-N 1 2 327.415 3.853 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)[nH+]1 ZINC000433795885 1019629813 /nfs/dbraw/zinc/62/98/13/1019629813.db2.gz GRBHQSBSAWNZCB-QGZVFWFLSA-N 1 2 338.411 3.847 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCOCC12CCC2 ZINC000656253715 1019673453 /nfs/dbraw/zinc/67/34/53/1019673453.db2.gz UCPYNFUMGLHTET-UHFFFAOYSA-N 1 2 331.847 3.589 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCOCC12CCC2 ZINC000656253715 1019673464 /nfs/dbraw/zinc/67/34/64/1019673464.db2.gz UCPYNFUMGLHTET-UHFFFAOYSA-N 1 2 331.847 3.589 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000513640756 1019898349 /nfs/dbraw/zinc/89/83/49/1019898349.db2.gz ROWPLWZWKBOBCX-SQNIBIBYSA-N 1 2 346.519 3.702 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000513640756 1019898365 /nfs/dbraw/zinc/89/83/65/1019898365.db2.gz ROWPLWZWKBOBCX-SQNIBIBYSA-N 1 2 346.519 3.702 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000092967967 1032860298 /nfs/dbraw/zinc/86/02/98/1032860298.db2.gz YDXSYBJFOXMYQV-AWEZNQCLSA-N 1 2 327.325 3.878 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000092967967 1032860311 /nfs/dbraw/zinc/86/03/11/1032860311.db2.gz YDXSYBJFOXMYQV-AWEZNQCLSA-N 1 2 327.325 3.878 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)COc2cccc(C(C)C)c2)c1C ZINC000050448548 1019927117 /nfs/dbraw/zinc/92/71/17/1019927117.db2.gz AQPBJYIPROSIAJ-UHFFFAOYSA-N 1 2 342.439 3.526 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(Br)cn3)cn21 ZINC000279998099 1019979380 /nfs/dbraw/zinc/97/93/80/1019979380.db2.gz FTWNTXAROBCRCG-GFCCVEGCSA-N 1 2 345.244 3.651 20 0 EHADLO Fc1ccc([C@@H]2COCCN2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000449595472 1032866912 /nfs/dbraw/zinc/86/69/12/1032866912.db2.gz UDNVBMCXVBHTIP-SFHVURJKSA-N 1 2 343.427 3.646 20 0 EHADLO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000639440526 1019997353 /nfs/dbraw/zinc/99/73/53/1019997353.db2.gz WVGQOMMNNGAYRP-UHFFFAOYSA-N 1 2 347.261 3.871 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000728306625 1020035035 /nfs/dbraw/zinc/03/50/35/1020035035.db2.gz IXMSDQLLUVTDBQ-HOTGVXAUSA-N 1 2 333.476 3.865 20 0 EHADLO NC(=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 ZINC000050513506 1020037336 /nfs/dbraw/zinc/03/73/36/1020037336.db2.gz NMHDJLDJARPHIY-UHFFFAOYSA-N 1 2 345.761 3.971 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc2ccsc2c1 ZINC000580808389 1020040567 /nfs/dbraw/zinc/04/05/67/1020040567.db2.gz IAWOLIBBAMMIIJ-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000059260753 1020054260 /nfs/dbraw/zinc/05/42/60/1020054260.db2.gz XZJPUGVJAYLQIO-MRXNPFEDSA-N 1 2 338.455 3.632 20 0 EHADLO Clc1ccc2c(c1)ncnc2NCc1ccccc1Cn1cc[nH+]c1 ZINC000345257216 1020076572 /nfs/dbraw/zinc/07/65/72/1020076572.db2.gz QEUPJIXZWIQVEE-UHFFFAOYSA-N 1 2 349.825 3.562 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000345288064 1020127958 /nfs/dbraw/zinc/12/79/58/1020127958.db2.gz NKFPAYKNSMEKIZ-FUHWJXTLSA-N 1 2 329.488 3.583 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(Cl)cncc1Cl ZINC000345293760 1020131472 /nfs/dbraw/zinc/13/14/72/1020131472.db2.gz ADRZFOSQJNSSNC-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000280212847 1020183449 /nfs/dbraw/zinc/18/34/49/1020183449.db2.gz RGOJVURHGHFPEY-YQVWRLOYSA-N 1 2 329.488 3.503 20 0 EHADLO Fc1cccc(Br)c1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000093193729 1032882477 /nfs/dbraw/zinc/88/24/77/1032882477.db2.gz GVCGYTRLVIVESU-NSHDSACASA-N 1 2 338.224 3.691 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000505293368 1020215108 /nfs/dbraw/zinc/21/51/08/1020215108.db2.gz HVPDGFFYHUKXEA-UHFFFAOYSA-N 1 2 347.462 3.560 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000505293368 1020215116 /nfs/dbraw/zinc/21/51/16/1020215116.db2.gz HVPDGFFYHUKXEA-UHFFFAOYSA-N 1 2 347.462 3.560 20 0 EHADLO Cc1ccccc1C(=O)N1CC[NH+](Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143384697 1020234499 /nfs/dbraw/zinc/23/44/99/1020234499.db2.gz LOTKBSSBQXVYON-UHFFFAOYSA-N 1 2 340.442 3.709 20 0 EHADLO Cc1ccsc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340820877 1020241834 /nfs/dbraw/zinc/24/18/34/1020241834.db2.gz LIUGJVXMJJYUIB-UHFFFAOYSA-N 1 2 346.500 3.655 20 0 EHADLO O=C(c1occc1-c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345448874 1020262630 /nfs/dbraw/zinc/26/26/30/1020262630.db2.gz YDANITGPDMHHEU-QGZVFWFLSA-N 1 2 334.375 3.635 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(F)c1 ZINC000580955377 1020307345 /nfs/dbraw/zinc/30/73/45/1020307345.db2.gz ZCEDXEKRCAALSO-JCQPUDPBSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(F)c1 ZINC000580955377 1020307349 /nfs/dbraw/zinc/30/73/49/1020307349.db2.gz ZCEDXEKRCAALSO-JCQPUDPBSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cc(C)on2)cc1 ZINC000280353310 1020336967 /nfs/dbraw/zinc/33/69/67/1020336967.db2.gz JEAPUNPADKTDCX-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cc(C)on2)cc1 ZINC000280353310 1020336976 /nfs/dbraw/zinc/33/69/76/1020336976.db2.gz JEAPUNPADKTDCX-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO C[C@@H]1CCN(C(=O)CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000280470704 1020410062 /nfs/dbraw/zinc/41/00/62/1020410062.db2.gz UBQNYXGTRRFORQ-SJLPKXTDSA-N 1 2 343.496 3.616 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000513698137 1020488410 /nfs/dbraw/zinc/48/84/10/1020488410.db2.gz WXEMXDXFLKWUJQ-HLIPFELVSA-N 1 2 329.488 3.583 20 0 EHADLO Clc1ccc2c(c1Cl)CCN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000434100849 1020511349 /nfs/dbraw/zinc/51/13/49/1020511349.db2.gz XWBBQELSZPJIFW-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO Clc1ccc2c(c1Cl)CCN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000434100849 1020511362 /nfs/dbraw/zinc/51/13/62/1020511362.db2.gz XWBBQELSZPJIFW-UHFFFAOYSA-N 1 2 349.265 3.946 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000345791624 1020524779 /nfs/dbraw/zinc/52/47/79/1020524779.db2.gz JDGIFFLASIZDGE-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO Fc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000345791624 1020524785 /nfs/dbraw/zinc/52/47/85/1020524785.db2.gz JDGIFFLASIZDGE-UHFFFAOYSA-N 1 2 333.838 3.582 20 0 EHADLO C[C@@H](CCC1CC1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000345834349 1020536503 /nfs/dbraw/zinc/53/65/03/1020536503.db2.gz QKPQROCEBSUOQJ-ZDUSSCGKSA-N 1 2 336.505 3.829 20 0 EHADLO C[S@](=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000093838544 1032909978 /nfs/dbraw/zinc/90/99/78/1032909978.db2.gz GBJSAVGYQFIBFT-NPMXOYFQSA-N 1 2 349.883 3.731 20 0 EHADLO C[S@](=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000093838544 1032909994 /nfs/dbraw/zinc/90/99/94/1032909994.db2.gz GBJSAVGYQFIBFT-NPMXOYFQSA-N 1 2 349.883 3.731 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000156090148 1020600760 /nfs/dbraw/zinc/60/07/60/1020600760.db2.gz IEYKXQGWARAAEN-QGZVFWFLSA-N 1 2 328.366 3.816 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000156090148 1020600763 /nfs/dbraw/zinc/60/07/63/1020600763.db2.gz IEYKXQGWARAAEN-QGZVFWFLSA-N 1 2 328.366 3.816 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2ccn(CC(F)(F)F)n2)c1 ZINC000419453290 1020661322 /nfs/dbraw/zinc/66/13/22/1020661322.db2.gz JEPYSTJGGZRXJB-UHFFFAOYSA-N 1 2 331.363 3.591 20 0 EHADLO COc1cccc(SCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000340948761 1020666624 /nfs/dbraw/zinc/66/66/24/1020666624.db2.gz FIZLGOINKQTGFH-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(COC2CCCC2)cc1)n1cc[nH+]c1 ZINC000581313889 1020667771 /nfs/dbraw/zinc/66/77/71/1020667771.db2.gz VDQQDIYCMJCGCD-HNNXBMFYSA-N 1 2 327.428 3.932 20 0 EHADLO O=C(COc1ccsc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000340950376 1020669734 /nfs/dbraw/zinc/66/97/34/1020669734.db2.gz IWWAFPZAFVSFJO-UHFFFAOYSA-N 1 2 333.800 3.605 20 0 EHADLO CCc1ccc(CN2CC[NH+](CCOCC3CCCC3)CC2)s1 ZINC001167454370 1020686294 /nfs/dbraw/zinc/68/62/94/1020686294.db2.gz UUPGYOKNCPRYEQ-UHFFFAOYSA-N 1 2 336.545 3.635 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000340969060 1020702674 /nfs/dbraw/zinc/70/26/74/1020702674.db2.gz ZUZYWVWAIBQNOV-CVEARBPZSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccccc3C(F)(F)F)cc2[nH+]1 ZINC000340974744 1020721451 /nfs/dbraw/zinc/72/14/51/1020721451.db2.gz OLPOOAADUHUMQT-UHFFFAOYSA-N 1 2 349.312 3.908 20 0 EHADLO COc1cccc2c(NCc3nccc(C(F)F)n3)c(C)c[nH+]c12 ZINC000340983736 1020750242 /nfs/dbraw/zinc/75/02/42/1020750242.db2.gz RMGHBVLFHXCANN-UHFFFAOYSA-N 1 2 330.338 3.892 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)C(F)F)n2)C1 ZINC000684222896 1020806523 /nfs/dbraw/zinc/80/65/23/1020806523.db2.gz KYLAKKPJULOZBQ-JTQLQIEISA-N 1 2 346.447 3.540 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)C(F)F)n2)C1 ZINC000684222896 1020806528 /nfs/dbraw/zinc/80/65/28/1020806528.db2.gz KYLAKKPJULOZBQ-JTQLQIEISA-N 1 2 346.447 3.540 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cccc(Cl)c1 ZINC000341006742 1020834813 /nfs/dbraw/zinc/83/48/13/1020834813.db2.gz ZHKDZNBNYMNZNG-QGZVFWFLSA-N 1 2 339.826 3.902 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000389779638 1020849334 /nfs/dbraw/zinc/84/93/34/1020849334.db2.gz GTMHGOJCNFXEFK-RHSMWYFYSA-N 1 2 330.859 3.656 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc(F)ccc2Br)o1 ZINC000449615070 1032936998 /nfs/dbraw/zinc/93/69/98/1032936998.db2.gz XZSTYCFWCAKUAA-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO Cc1nc(C)c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341033654 1020888754 /nfs/dbraw/zinc/88/87/54/1020888754.db2.gz JBQAPXVZQPGSLI-UHFFFAOYSA-N 1 2 347.488 3.681 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(SCc2ccccc2)cn1)[NH+]1CC(C)C1 ZINC000581437957 1020917298 /nfs/dbraw/zinc/91/72/98/1020917298.db2.gz BYWGYQGERQBBGT-HNNXBMFYSA-N 1 2 341.480 3.653 20 0 EHADLO CC[C@@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000606975860 1032946086 /nfs/dbraw/zinc/94/60/86/1032946086.db2.gz SMZRKTKQKQIIFW-MRXNPFEDSA-N 1 2 344.434 3.876 20 0 EHADLO C[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000341110734 1020986034 /nfs/dbraw/zinc/98/60/34/1020986034.db2.gz ONOLVLCQTBSYGP-CVEARBPZSA-N 1 2 325.412 3.503 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072801833 1021020044 /nfs/dbraw/zinc/02/00/44/1021020044.db2.gz IDHSGCVIBRHXQS-UHFFFAOYSA-N 1 2 334.769 3.861 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000341176299 1021046658 /nfs/dbraw/zinc/04/66/58/1021046658.db2.gz IWLCVGZUZDXGHP-FGTMMUONSA-N 1 2 338.455 3.640 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341186340 1021058652 /nfs/dbraw/zinc/05/86/52/1021058652.db2.gz TZBPMCZEHYUXBR-OAHLLOKOSA-N 1 2 346.500 3.545 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1 ZINC000341197564 1021082863 /nfs/dbraw/zinc/08/28/63/1021082863.db2.gz XBRWVZJDFGKQGN-OAHLLOKOSA-N 1 2 334.441 3.834 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc1 ZINC000341209632 1021102817 /nfs/dbraw/zinc/10/28/17/1021102817.db2.gz MLBKJRMTVXKWDU-INIZCTEOSA-N 1 2 346.434 3.888 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000581584554 1021113912 /nfs/dbraw/zinc/11/39/12/1021113912.db2.gz RLDYXTIUSHZYGW-DOTOQJQBSA-N 1 2 332.492 3.720 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(CC3CC3)nn2)c2ccccc2)cc1 ZINC000656658835 1021114839 /nfs/dbraw/zinc/11/48/39/1021114839.db2.gz GEDRDICLFDGWIH-NRFANRHFSA-N 1 2 348.450 3.576 20 0 EHADLO CNc1nc(Cl)ncc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001142494489 1032955281 /nfs/dbraw/zinc/95/52/81/1032955281.db2.gz FCVBLRQNAZUCBJ-UHFFFAOYSA-N 1 2 344.768 3.823 20 0 EHADLO CNc1nc(Cl)ncc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001142494489 1032955287 /nfs/dbraw/zinc/95/52/87/1032955287.db2.gz FCVBLRQNAZUCBJ-UHFFFAOYSA-N 1 2 344.768 3.823 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)c1 ZINC000341220998 1021119570 /nfs/dbraw/zinc/11/95/70/1021119570.db2.gz OLYCICZJWXZKOR-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000341222673 1021125111 /nfs/dbraw/zinc/12/51/11/1021125111.db2.gz YWKWQMRFJSGGEQ-NSHDSACASA-N 1 2 342.468 3.750 20 0 EHADLO Cc1ccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341234288 1021145026 /nfs/dbraw/zinc/14/50/26/1021145026.db2.gz DEAIHKFCQOFEJK-UHFFFAOYSA-N 1 2 331.485 3.515 20 0 EHADLO CC1(C)C[C@@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000656675337 1021152037 /nfs/dbraw/zinc/15/20/37/1021152037.db2.gz CREFZHVZDSPNJF-QZTJIDSGSA-N 1 2 349.434 3.983 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000656681683 1021163698 /nfs/dbraw/zinc/16/36/98/1021163698.db2.gz JSYGKFJKBRXWCO-MJBXVCDLSA-N 1 2 331.485 3.622 20 0 EHADLO O=C(c1scnc1C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244062 1021167195 /nfs/dbraw/zinc/16/71/95/1021167195.db2.gz UAUJBHVPFZAKCS-UHFFFAOYSA-N 1 2 344.484 3.550 20 0 EHADLO CC(C)CCSCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341243459 1021167375 /nfs/dbraw/zinc/16/73/75/1021167375.db2.gz QVRBXELABYWMGL-UHFFFAOYSA-N 1 2 337.533 3.681 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)no1 ZINC000518453999 1021192403 /nfs/dbraw/zinc/19/24/03/1021192403.db2.gz VTBLAYHRMZPWJM-KRWDZBQOSA-N 1 2 343.471 3.876 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)no1 ZINC000518453999 1021192420 /nfs/dbraw/zinc/19/24/20/1021192420.db2.gz VTBLAYHRMZPWJM-KRWDZBQOSA-N 1 2 343.471 3.876 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Cl)n1)c1cccc(N2CCCC2=O)c1 ZINC000295896386 1021206630 /nfs/dbraw/zinc/20/66/30/1021206630.db2.gz CAXILVIBBSBVJM-NSHDSACASA-N 1 2 335.860 3.774 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)NCCCCn1cc[nH+]c1 ZINC000518508399 1021257121 /nfs/dbraw/zinc/25/71/21/1021257121.db2.gz BMQLVTSWTOXWRK-ZDUSSCGKSA-N 1 2 337.876 3.614 20 0 EHADLO CCc1cccnc1[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000507440332 1021267449 /nfs/dbraw/zinc/26/74/49/1021267449.db2.gz IASSLKSNRPKDAC-JYJNAYRXSA-N 1 2 340.471 3.826 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)c(C)cc1Br ZINC000507481509 1021299048 /nfs/dbraw/zinc/29/90/48/1021299048.db2.gz UBAXLOKQZMSSGF-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000656768258 1021304488 /nfs/dbraw/zinc/30/44/88/1021304488.db2.gz HOTDFLAXLWHHEM-UHFFFAOYSA-N 1 2 325.460 3.685 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(O)cc2F)no1)c1cccc(Cl)c1 ZINC000436880874 1021331505 /nfs/dbraw/zinc/33/15/05/1021331505.db2.gz UDTDKJFSPOCCNX-OAHLLOKOSA-N 1 2 347.777 3.886 20 0 EHADLO C[C@H](CNC(=O)c1ccc(C2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000607039740 1032972675 /nfs/dbraw/zinc/97/26/75/1032972675.db2.gz IYUZOFXOEZALFG-MRXNPFEDSA-N 1 2 325.456 3.997 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c(F)c1 ZINC001143579242 1021371211 /nfs/dbraw/zinc/37/12/11/1021371211.db2.gz JWMNHQKOZUCMAR-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c(F)c1 ZINC001143579242 1021371231 /nfs/dbraw/zinc/37/12/31/1021371231.db2.gz JWMNHQKOZUCMAR-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1cccc(C([NH2+]Cc2cc(C)ncn2)c2cccc(OC)c2)c1 ZINC000427435402 1021400185 /nfs/dbraw/zinc/40/01/85/1021400185.db2.gz NZBANEMEXFWXPG-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)NCCCNc3cccc[nH+]3)c2)c1 ZINC000426375499 1021412797 /nfs/dbraw/zinc/41/27/97/1021412797.db2.gz DLSDFKDPAVQORI-UHFFFAOYSA-N 1 2 346.434 3.684 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cnc(C)cn1 ZINC000505906601 1021418569 /nfs/dbraw/zinc/41/85/69/1021418569.db2.gz CJWJGKQJRZWDAY-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cnc(C)cn1 ZINC000505906601 1021418579 /nfs/dbraw/zinc/41/85/79/1021418579.db2.gz CJWJGKQJRZWDAY-UHFFFAOYSA-N 1 2 335.455 3.528 20 0 EHADLO O=C(c1cc2ccccc2[nH]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341322291 1021424248 /nfs/dbraw/zinc/42/42/48/1021424248.db2.gz YRRBJECTUGSQSH-UHFFFAOYSA-N 1 2 336.439 3.697 20 0 EHADLO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000276482751 1021466776 /nfs/dbraw/zinc/46/67/76/1021466776.db2.gz SDHJVQVWRUOZAN-UHFFFAOYSA-N 1 2 349.837 3.886 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000656858617 1021493414 /nfs/dbraw/zinc/49/34/14/1021493414.db2.gz MATCOJSSDBSRCC-CYBMUJFWSA-N 1 2 345.830 3.561 20 0 EHADLO CCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1ccc(Cl)cc1 ZINC000341350681 1021503927 /nfs/dbraw/zinc/50/39/27/1021503927.db2.gz JEHJDKPXDLHXGA-UHFFFAOYSA-N 1 2 329.835 3.742 20 0 EHADLO CCC[C@@H]([NH2+]CCc1ccc(-c2csc(C)n2)cc1)C(=O)OCC ZINC000439551263 1021535810 /nfs/dbraw/zinc/53/58/10/1021535810.db2.gz RQHCBRAJSLLIQQ-QGZVFWFLSA-N 1 2 346.496 3.982 20 0 EHADLO C[C@]1([NH2+]Cc2nc(C(F)(F)F)cs2)CCOc2ccccc21 ZINC000933375784 1021561265 /nfs/dbraw/zinc/56/12/65/1021561265.db2.gz UKJGGLGGWYVIND-AWEZNQCLSA-N 1 2 328.359 3.949 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000126789008 1021611123 /nfs/dbraw/zinc/61/11/23/1021611123.db2.gz WXOLJBBTBCHDJR-ZDUSSCGKSA-N 1 2 325.437 3.603 20 0 EHADLO CN(C(=O)CCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000440566684 1021620723 /nfs/dbraw/zinc/62/07/23/1021620723.db2.gz RPCUWHRTPGAWJM-UHFFFAOYSA-N 1 2 335.407 3.515 20 0 EHADLO CCOc1cccc2cc([C@H](C)Nc3[nH+]cnc4c3cnn4C)oc21 ZINC000054865054 1032995443 /nfs/dbraw/zinc/99/54/43/1032995443.db2.gz NNRNXMLVPAVQNY-NSHDSACASA-N 1 2 337.383 3.681 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)c1ncnn1C ZINC000276533022 1021645803 /nfs/dbraw/zinc/64/58/03/1021645803.db2.gz CWOLTSYGZVCGNC-VHSXEESVSA-N 1 2 349.232 3.736 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000426475667 1021665776 /nfs/dbraw/zinc/66/57/76/1021665776.db2.gz YXRSBJNZVTYIEM-DOMZBBRYSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000426475667 1021665777 /nfs/dbraw/zinc/66/57/77/1021665777.db2.gz YXRSBJNZVTYIEM-DOMZBBRYSA-N 1 2 337.261 3.570 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CSc2cc(C)ccc2C)c1C ZINC000064998005 1021668637 /nfs/dbraw/zinc/66/86/37/1021668637.db2.gz OASBWRORLYSSDU-UHFFFAOYSA-N 1 2 344.480 3.732 20 0 EHADLO c1ccc2c(c1)sc1ncnc(N3CC[C@H](Oc4cc[nH+]cc4)C3)c21 ZINC000440637583 1021669139 /nfs/dbraw/zinc/66/91/39/1021669139.db2.gz OBHIGDBKNCXVQG-AWEZNQCLSA-N 1 2 348.431 3.897 20 0 EHADLO Cc1c[nH+]c(CNCc2nc(-c3cc4ccccc4o3)cs2)n1C ZINC000341391781 1021675362 /nfs/dbraw/zinc/67/53/62/1021675362.db2.gz KVJCAUAXWYNVIN-UHFFFAOYSA-N 1 2 338.436 3.888 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000439785311 1021709381 /nfs/dbraw/zinc/70/93/81/1021709381.db2.gz YGDKXDYMAHGZEJ-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(CCC(=O)OC(C)(C)C)c2)n1C ZINC000341408066 1021760213 /nfs/dbraw/zinc/76/02/13/1021760213.db2.gz QNKDCJBLAXCXGH-UHFFFAOYSA-N 1 2 329.444 3.615 20 0 EHADLO COC(=O)c1occc1C[NH+]1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000449665318 1033003739 /nfs/dbraw/zinc/00/37/39/1033003739.db2.gz CKMDDEIBQYSZQI-UHFFFAOYSA-N 1 2 339.313 3.684 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)CC2CC2)c(C)c1 ZINC000440808032 1021799710 /nfs/dbraw/zinc/79/97/10/1021799710.db2.gz WWBWBIAQYRSLTP-VQIMIIECSA-N 1 2 340.471 3.729 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000439906064 1021802864 /nfs/dbraw/zinc/80/28/64/1021802864.db2.gz XRLWAEJSCXZCDJ-UHFFFAOYSA-N 1 2 347.462 3.826 20 0 EHADLO Cc1ccc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000439906738 1021805062 /nfs/dbraw/zinc/80/50/62/1021805062.db2.gz ZCKUFTSXRCERPG-PZJWPPBQSA-N 1 2 345.446 3.660 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440943157 1021888187 /nfs/dbraw/zinc/88/81/87/1021888187.db2.gz PSRMVYTXNARPCI-QZTJIDSGSA-N 1 2 347.409 3.682 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440943157 1021888198 /nfs/dbraw/zinc/88/81/98/1021888198.db2.gz PSRMVYTXNARPCI-QZTJIDSGSA-N 1 2 347.409 3.682 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)o2)cc1 ZINC000440969285 1021906740 /nfs/dbraw/zinc/90/67/40/1021906740.db2.gz XKSQQAXXNPBLKC-IAGOWNOFSA-N 1 2 342.439 3.882 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)o2)cc1 ZINC000440969285 1021906746 /nfs/dbraw/zinc/90/67/46/1021906746.db2.gz XKSQQAXXNPBLKC-IAGOWNOFSA-N 1 2 342.439 3.882 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000519170142 1021908920 /nfs/dbraw/zinc/90/89/20/1021908920.db2.gz NGAAVLVECUXYMN-DLBZAZTESA-N 1 2 347.503 3.506 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@](F)(c4ccccc4)C3)ccc2[nH+]1 ZINC000516983000 1021918556 /nfs/dbraw/zinc/91/85/56/1021918556.db2.gz XLOVZQDNGIQJAD-IBGZPJMESA-N 1 2 338.386 3.745 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@](F)(c4ccccc4)C3)ccc2[nH+]1 ZINC000516983001 1021919658 /nfs/dbraw/zinc/91/96/58/1021919658.db2.gz XLOVZQDNGIQJAD-LJQANCHMSA-N 1 2 338.386 3.745 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1C ZINC000172913073 1033016507 /nfs/dbraw/zinc/01/65/07/1033016507.db2.gz ZNYXSTFFMNLAET-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)c1C ZINC000172913073 1033016524 /nfs/dbraw/zinc/01/65/24/1033016524.db2.gz ZNYXSTFFMNLAET-GOSISDBHSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441059704 1021949616 /nfs/dbraw/zinc/94/96/16/1021949616.db2.gz UIWXICPRWRCVJJ-HZPDHXFCSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441059704 1021949621 /nfs/dbraw/zinc/94/96/21/1021949621.db2.gz UIWXICPRWRCVJJ-HZPDHXFCSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441059703 1021950444 /nfs/dbraw/zinc/95/04/44/1021950444.db2.gz UIWXICPRWRCVJJ-HOTGVXAUSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441059703 1021950450 /nfs/dbraw/zinc/95/04/50/1021950450.db2.gz UIWXICPRWRCVJJ-HOTGVXAUSA-N 1 2 340.442 3.758 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441050701 1021955917 /nfs/dbraw/zinc/95/59/17/1021955917.db2.gz OPZWTTBOAWVEIX-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000441050701 1021955924 /nfs/dbraw/zinc/95/59/24/1021955924.db2.gz OPZWTTBOAWVEIX-AWEZNQCLSA-N 1 2 344.405 3.543 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@H](Nc2cc(COC)cc[nH+]2)c2ccccc21 ZINC000593725981 1033019033 /nfs/dbraw/zinc/01/90/33/1033019033.db2.gz ULIJZGYVTQWRDQ-MSOLQXFVSA-N 1 2 340.423 3.822 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000437593116 1021969142 /nfs/dbraw/zinc/96/91/42/1021969142.db2.gz SNNJRBCNLDUQCC-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000437593116 1021969146 /nfs/dbraw/zinc/96/91/46/1021969146.db2.gz SNNJRBCNLDUQCC-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587653 1021979361 /nfs/dbraw/zinc/97/93/61/1021979361.db2.gz GDQDSIPQIHWKKS-PJSAGSTRSA-N 1 2 330.403 3.613 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587653 1021979373 /nfs/dbraw/zinc/97/93/73/1021979373.db2.gz GDQDSIPQIHWKKS-PJSAGSTRSA-N 1 2 330.403 3.613 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+](C)Cc1cccc(OC)c1OC ZINC001143400206 1021988177 /nfs/dbraw/zinc/98/81/77/1021988177.db2.gz RGUSGAFUEZNZTI-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+](C)Cc1cccc(OC)c1OC ZINC001143400206 1021988183 /nfs/dbraw/zinc/98/81/83/1021988183.db2.gz RGUSGAFUEZNZTI-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000426596853 1021999548 /nfs/dbraw/zinc/99/95/48/1021999548.db2.gz WQLZTAXDWUQGOU-MRXNPFEDSA-N 1 2 332.492 3.932 20 0 EHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000520183751 1022002228 /nfs/dbraw/zinc/00/22/28/1022002228.db2.gz MZRLFQBKVJWSEK-CYBMUJFWSA-N 1 2 340.250 3.865 20 0 EHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000520183751 1022002243 /nfs/dbraw/zinc/00/22/43/1022002243.db2.gz MZRLFQBKVJWSEK-CYBMUJFWSA-N 1 2 340.250 3.865 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1OC ZINC000341478167 1022008814 /nfs/dbraw/zinc/00/88/14/1022008814.db2.gz WRECDBIQVBEQLF-GFCCVEGCSA-N 1 2 343.383 3.588 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000506791223 1022025650 /nfs/dbraw/zinc/02/56/50/1022025650.db2.gz TYJQCSVIQKNYMO-AWEZNQCLSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000506791223 1022025667 /nfs/dbraw/zinc/02/56/67/1022025667.db2.gz TYJQCSVIQKNYMO-AWEZNQCLSA-N 1 2 345.361 3.545 20 0 EHADLO COc1cc(OC)c(C[N@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000506802298 1022038360 /nfs/dbraw/zinc/03/83/60/1022038360.db2.gz BLMUAPBLLAEFNY-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1cc(OC)c(C[N@@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000506802298 1022038373 /nfs/dbraw/zinc/03/83/73/1022038373.db2.gz BLMUAPBLLAEFNY-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO Cc1cc(NCc2cc(F)cc(Br)c2)nc(C2CC2)[nH+]1 ZINC000341509355 1022047543 /nfs/dbraw/zinc/04/75/43/1022047543.db2.gz XCOPMLOCQXOMKU-UHFFFAOYSA-N 1 2 336.208 3.598 20 0 EHADLO CCCCCOc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000506099851 1022050738 /nfs/dbraw/zinc/05/07/38/1022050738.db2.gz WNUCHPMLJPCWJF-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000440362475 1022119037 /nfs/dbraw/zinc/11/90/37/1022119037.db2.gz ADSVWJGRCUGZCH-SFHVURJKSA-N 1 2 342.487 3.621 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000440362475 1022119044 /nfs/dbraw/zinc/11/90/44/1022119044.db2.gz ADSVWJGRCUGZCH-SFHVURJKSA-N 1 2 342.487 3.621 20 0 EHADLO CC[C@@H](C[NH2+]Cc1ncc(Br)cc1O)CC(F)(F)F ZINC000894906549 1022153930 /nfs/dbraw/zinc/15/39/30/1022153930.db2.gz QRMIUHVZPLGJNX-MRVPVSSYSA-N 1 2 341.171 3.618 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000581893115 1022168982 /nfs/dbraw/zinc/16/89/82/1022168982.db2.gz IGEVLHUYAZXICQ-UONOGXRCSA-N 1 2 331.485 3.966 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000581893115 1022168997 /nfs/dbraw/zinc/16/89/97/1022168997.db2.gz IGEVLHUYAZXICQ-UONOGXRCSA-N 1 2 331.485 3.966 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C2CC2)n1 ZINC000891636093 1022175285 /nfs/dbraw/zinc/17/52/85/1022175285.db2.gz WWUVPZDPTMNDOA-KRWDZBQOSA-N 1 2 331.847 3.524 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C2CC2)n1 ZINC000891636093 1022175292 /nfs/dbraw/zinc/17/52/92/1022175292.db2.gz WWUVPZDPTMNDOA-KRWDZBQOSA-N 1 2 331.847 3.524 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000341539865 1022178638 /nfs/dbraw/zinc/17/86/38/1022178638.db2.gz WLEOQRDEXXVZEK-QGZVFWFLSA-N 1 2 333.391 3.833 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000520389946 1022198900 /nfs/dbraw/zinc/19/89/00/1022198900.db2.gz ZFKQKPOCGXVWCT-OCCSQVGLSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000520389946 1022198910 /nfs/dbraw/zinc/19/89/10/1022198910.db2.gz ZFKQKPOCGXVWCT-OCCSQVGLSA-N 1 2 339.357 3.537 20 0 EHADLO CC(C)[N@@H+](Cc1ccc(O)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891645185 1022202006 /nfs/dbraw/zinc/20/20/06/1022202006.db2.gz PMIPDUZSYOEYTD-UHFFFAOYSA-N 1 2 341.386 3.591 20 0 EHADLO CC(C)[N@H+](Cc1ccc(O)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891645185 1022202018 /nfs/dbraw/zinc/20/20/18/1022202018.db2.gz PMIPDUZSYOEYTD-UHFFFAOYSA-N 1 2 341.386 3.591 20 0 EHADLO C[C@@H](CC(=O)N(CC(F)F)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000520412980 1022216244 /nfs/dbraw/zinc/21/62/44/1022216244.db2.gz IBDSLQJLAWOGCC-NSHDSACASA-N 1 2 327.762 3.786 20 0 EHADLO Cc1ccc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)cn1 ZINC000345976383 1022236424 /nfs/dbraw/zinc/23/64/24/1022236424.db2.gz GZYZLGFQXDRTJO-HNNXBMFYSA-N 1 2 328.803 3.744 20 0 EHADLO Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000045952882 1022249214 /nfs/dbraw/zinc/24/92/14/1022249214.db2.gz POVJUCJALCTKIN-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO Cc1ccnc(N2CC[NH+](Cc3cc(C)ccc3OC(F)F)CC2)c1 ZINC000510490013 1022251445 /nfs/dbraw/zinc/25/14/45/1022251445.db2.gz KCMKARXEBRDXBF-UHFFFAOYSA-N 1 2 347.409 3.622 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1nc(Cl)nc2cc(F)ccc21 ZINC001167990611 1022270091 /nfs/dbraw/zinc/27/00/91/1022270091.db2.gz ZGMDROVXNBFXAL-UHFFFAOYSA-N 1 2 333.729 3.593 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804161 1022286604 /nfs/dbraw/zinc/28/66/04/1022286604.db2.gz KZRRYFUBIFCADF-PRHODGIISA-N 1 2 327.268 3.679 20 0 EHADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804161 1022286616 /nfs/dbraw/zinc/28/66/16/1022286616.db2.gz KZRRYFUBIFCADF-PRHODGIISA-N 1 2 327.268 3.679 20 0 EHADLO CCc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(O)c1 ZINC000581909458 1022299029 /nfs/dbraw/zinc/29/90/29/1022299029.db2.gz BPKGOIFNPXHQMQ-UHFFFAOYSA-N 1 2 334.379 3.552 20 0 EHADLO Cc1cn([C@@H](C)c2ccccc2)nc1NCc1c[nH+]c2c(C)cccn12 ZINC000471808112 1022310421 /nfs/dbraw/zinc/31/04/21/1022310421.db2.gz FLLVUUYJJZVTPN-KRWDZBQOSA-N 1 2 345.450 3.791 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449670766 1033044778 /nfs/dbraw/zinc/04/47/78/1033044778.db2.gz YIXCPVZLBPLSHB-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449670766 1033044783 /nfs/dbraw/zinc/04/47/83/1033044783.db2.gz YIXCPVZLBPLSHB-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671165 1033046409 /nfs/dbraw/zinc/04/64/09/1033046409.db2.gz KDCMMYRYQSJMQG-BXKDBHETSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671165 1033046426 /nfs/dbraw/zinc/04/64/26/1033046426.db2.gz KDCMMYRYQSJMQG-BXKDBHETSA-N 1 2 348.415 3.617 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000894982642 1022344275 /nfs/dbraw/zinc/34/42/75/1022344275.db2.gz DYZVQWZWQFDLBR-LJQANCHMSA-N 1 2 349.425 3.757 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000187857557 1022353481 /nfs/dbraw/zinc/35/34/81/1022353481.db2.gz PAHFIYCWQGIWJL-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000528906966 1033048527 /nfs/dbraw/zinc/04/85/27/1033048527.db2.gz NUGZOJDLNZJKRT-RDJZCZTQSA-N 1 2 345.874 3.973 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000302743876 1022369428 /nfs/dbraw/zinc/36/94/28/1022369428.db2.gz NZZPHJQLMLZMJS-HOTGVXAUSA-N 1 2 328.431 3.566 20 0 EHADLO C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000302743876 1022369446 /nfs/dbraw/zinc/36/94/46/1022369446.db2.gz NZZPHJQLMLZMJS-HOTGVXAUSA-N 1 2 328.431 3.566 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)Sc3ccccc3)ccc2[nH+]1 ZINC000438118949 1022384031 /nfs/dbraw/zinc/38/40/31/1022384031.db2.gz RLOSDYBYXUYUFG-AWEZNQCLSA-N 1 2 340.452 3.945 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000341582843 1022390529 /nfs/dbraw/zinc/39/05/29/1022390529.db2.gz IYAJJVUUWLIZTK-AWEZNQCLSA-N 1 2 348.468 3.510 20 0 EHADLO C[C@H]1CCCCC[N@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000341582843 1022390545 /nfs/dbraw/zinc/39/05/45/1022390545.db2.gz IYAJJVUUWLIZTK-AWEZNQCLSA-N 1 2 348.468 3.510 20 0 EHADLO COC(=O)c1ccc(-c2ccc(CNc3[nH+]cccc3OC)o2)cc1 ZINC000581919284 1022395664 /nfs/dbraw/zinc/39/56/64/1022395664.db2.gz HVVPHAKNLNPWMP-UHFFFAOYSA-N 1 2 338.363 3.749 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCSCC1 ZINC000110981307 1022396374 /nfs/dbraw/zinc/39/63/74/1022396374.db2.gz LJUJPMXKZBEWRI-HNNXBMFYSA-N 1 2 342.464 3.855 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](C)Oc3cccc(C)c3)ccc2[nH+]1 ZINC000438114072 1022399492 /nfs/dbraw/zinc/39/94/92/1022399492.db2.gz HKZICLMVRPJUBS-HNNXBMFYSA-N 1 2 338.411 3.540 20 0 EHADLO COc1ccc([C@H]2CN(c3cc(C)[nH+]c(C4CCC4)n3)CCO2)cc1 ZINC000895030278 1022417840 /nfs/dbraw/zinc/41/78/40/1022417840.db2.gz VXQJQDDSCIOALJ-GOSISDBHSA-N 1 2 339.439 3.639 20 0 EHADLO CCC[C@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458885969 1022422387 /nfs/dbraw/zinc/42/23/87/1022422387.db2.gz POKTUAPLFHTDGP-ZDUSSCGKSA-N 1 2 334.851 3.856 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)no1 ZINC000517549769 1022451746 /nfs/dbraw/zinc/45/17/46/1022451746.db2.gz MCPAWSQIDMRRAG-UHFFFAOYSA-N 1 2 336.439 3.811 20 0 EHADLO CCn1c(-c2ccccc2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172942265 1033052439 /nfs/dbraw/zinc/05/24/39/1033052439.db2.gz QJZKSHLXGIPSRJ-GASCZTMLSA-N 1 2 328.485 3.646 20 0 EHADLO CCn1c(-c2ccccc2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172942265 1033052455 /nfs/dbraw/zinc/05/24/55/1033052455.db2.gz QJZKSHLXGIPSRJ-GASCZTMLSA-N 1 2 328.485 3.646 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+](Cc2cccs2)C2CC2)c1C ZINC000085784991 1022465622 /nfs/dbraw/zinc/46/56/22/1022465622.db2.gz JSWDKNTWRBRYFB-UHFFFAOYSA-N 1 2 346.496 3.660 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+](Cc2cccs2)C2CC2)c1C ZINC000085784991 1022465630 /nfs/dbraw/zinc/46/56/30/1022465630.db2.gz JSWDKNTWRBRYFB-UHFFFAOYSA-N 1 2 346.496 3.660 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H](C(F)(F)F)O1 ZINC001167491074 1022478391 /nfs/dbraw/zinc/47/83/91/1022478391.db2.gz KQZMHSHCMIWFEQ-XLNGHYISSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H](C(F)(F)F)O1 ZINC001167491074 1022478412 /nfs/dbraw/zinc/47/84/12/1022478412.db2.gz KQZMHSHCMIWFEQ-XLNGHYISSA-N 1 2 343.389 3.948 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119448538 1033057812 /nfs/dbraw/zinc/05/78/12/1033057812.db2.gz MPBXZFHYWCXZIE-KXBFYZLASA-N 1 2 341.430 3.632 20 0 EHADLO CC1=CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 ZINC000328805968 1022492724 /nfs/dbraw/zinc/49/27/24/1022492724.db2.gz HVARSAGWBKWWJP-UHFFFAOYSA-N 1 2 339.439 3.586 20 0 EHADLO CC1=CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 ZINC000328805968 1022492727 /nfs/dbraw/zinc/49/27/27/1022492727.db2.gz HVARSAGWBKWWJP-UHFFFAOYSA-N 1 2 339.439 3.586 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cnn1C ZINC000438286233 1022536701 /nfs/dbraw/zinc/53/67/01/1022536701.db2.gz SQRXCDKRCFTYSD-INIZCTEOSA-N 1 2 329.835 3.595 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cnn1C ZINC000438286233 1022536707 /nfs/dbraw/zinc/53/67/07/1022536707.db2.gz SQRXCDKRCFTYSD-INIZCTEOSA-N 1 2 329.835 3.595 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000438302127 1022542822 /nfs/dbraw/zinc/54/28/22/1022542822.db2.gz HSHGRCOKFBYDGV-VCBZYWHSSA-N 1 2 329.415 3.692 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)CC2CC2)cs1)c1ccc(C)cc1 ZINC000064142407 1022572265 /nfs/dbraw/zinc/57/22/65/1022572265.db2.gz SPUPPFOXJZEVBJ-UHFFFAOYSA-N 1 2 329.469 3.978 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)CC2CC2)cs1)c1ccc(C)cc1 ZINC000064142407 1022572282 /nfs/dbraw/zinc/57/22/82/1022572282.db2.gz SPUPPFOXJZEVBJ-UHFFFAOYSA-N 1 2 329.469 3.978 20 0 EHADLO CCc1nc(C[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276747528 1022572818 /nfs/dbraw/zinc/57/28/18/1022572818.db2.gz SNYCVBDWJHMAAN-MRXNPFEDSA-N 1 2 343.496 3.526 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC000607252674 1033065688 /nfs/dbraw/zinc/06/56/88/1033065688.db2.gz PNELWBKILWEWHK-PBHICJAKSA-N 1 2 348.397 3.659 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664834642 1022602570 /nfs/dbraw/zinc/60/25/70/1022602570.db2.gz YLONGIQBINONPM-SJORKVTESA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664834642 1022602580 /nfs/dbraw/zinc/60/25/80/1022602580.db2.gz YLONGIQBINONPM-SJORKVTESA-N 1 2 329.488 3.502 20 0 EHADLO Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)ccc1OC(C)C ZINC000438419784 1022642898 /nfs/dbraw/zinc/64/28/98/1022642898.db2.gz MGTPUQQAJRFUBS-UHFFFAOYSA-N 1 2 342.443 3.801 20 0 EHADLO C[C@@H]1CC[C@@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004332 1022649463 /nfs/dbraw/zinc/64/94/63/1022649463.db2.gz UXORDLBVCPIVEF-ATLSCFEFSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1CC[C@@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004332 1022649478 /nfs/dbraw/zinc/64/94/78/1022649478.db2.gz UXORDLBVCPIVEF-ATLSCFEFSA-N 1 2 341.455 3.935 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000430749155 1022650218 /nfs/dbraw/zinc/65/02/18/1022650218.db2.gz UEZCQZVNKALUBI-UHFFFAOYSA-N 1 2 344.846 3.505 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000430749155 1022650226 /nfs/dbraw/zinc/65/02/26/1022650226.db2.gz UEZCQZVNKALUBI-UHFFFAOYSA-N 1 2 344.846 3.505 20 0 EHADLO CC(C)CCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005752 1022663896 /nfs/dbraw/zinc/66/38/96/1022663896.db2.gz NNYZXYLDJZZFTH-WBVHZDCISA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005752 1022663907 /nfs/dbraw/zinc/66/39/07/1022663907.db2.gz NNYZXYLDJZZFTH-WBVHZDCISA-N 1 2 329.444 3.620 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000303940893 1022663893 /nfs/dbraw/zinc/66/38/93/1022663893.db2.gz SPJCLCRKRMTMOG-INIZCTEOSA-N 1 2 329.469 3.926 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000303940893 1022663898 /nfs/dbraw/zinc/66/38/98/1022663898.db2.gz SPJCLCRKRMTMOG-INIZCTEOSA-N 1 2 329.469 3.926 20 0 EHADLO CC(C)Cc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517799837 1022689170 /nfs/dbraw/zinc/68/91/70/1022689170.db2.gz SAEBQLAHIMLMPJ-UHFFFAOYSA-N 1 2 339.483 3.831 20 0 EHADLO CC(C)[C@H]1C[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011175 1022707328 /nfs/dbraw/zinc/70/73/28/1022707328.db2.gz NXDNGUWZCMMQHX-DDBAPUKQSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011175 1022707341 /nfs/dbraw/zinc/70/73/41/1022707341.db2.gz NXDNGUWZCMMQHX-DDBAPUKQSA-N 1 2 341.455 3.791 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838506 1022711259 /nfs/dbraw/zinc/71/12/59/1022711259.db2.gz SLIORJHXPSBNJF-UZLBHIALSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838506 1022711268 /nfs/dbraw/zinc/71/12/68/1022711268.db2.gz SLIORJHXPSBNJF-UZLBHIALSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC2CCC2)C[C@H](C)O1 ZINC000111727701 1022727285 /nfs/dbraw/zinc/72/72/85/1022727285.db2.gz MRZHKMRWNNRHQY-HOTGVXAUSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517832729 1022731134 /nfs/dbraw/zinc/73/11/34/1022731134.db2.gz LTCFHKIXWVPYMH-HXUWFJFHSA-N 1 2 331.419 3.657 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000438511576 1022732439 /nfs/dbraw/zinc/73/24/39/1022732439.db2.gz DNGMJGSSFOIMDE-UHFFFAOYSA-N 1 2 347.488 3.849 20 0 EHADLO CN(C)c1nc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)ns1 ZINC000438528237 1022761791 /nfs/dbraw/zinc/76/17/91/1022761791.db2.gz ADDIWTUICPOGOY-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO CN(C)c1nc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)ns1 ZINC000438528237 1022761806 /nfs/dbraw/zinc/76/18/06/1022761806.db2.gz ADDIWTUICPOGOY-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000112089839 1022779063 /nfs/dbraw/zinc/77/90/63/1022779063.db2.gz KWUZBKPVPCTGPX-MRXNPFEDSA-N 1 2 331.485 3.768 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000112089839 1022779073 /nfs/dbraw/zinc/77/90/73/1022779073.db2.gz KWUZBKPVPCTGPX-MRXNPFEDSA-N 1 2 331.485 3.768 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000438568805 1022818378 /nfs/dbraw/zinc/81/83/78/1022818378.db2.gz BQVQSDVLANGWAH-IRXDYDNUSA-N 1 2 325.456 3.739 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c(C)c[nH+]1 ZINC000517896991 1022824314 /nfs/dbraw/zinc/82/43/14/1022824314.db2.gz DXPPTDZMXYOSAI-MRXNPFEDSA-N 1 2 345.393 3.638 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(C3CC3)nn2C)o1 ZINC000517930526 1022842831 /nfs/dbraw/zinc/84/28/31/1022842831.db2.gz WNXMQMUBGKQAHD-MRXNPFEDSA-N 1 2 328.460 3.965 20 0 EHADLO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(C3CC3)nn2C)o1 ZINC000517930526 1022842842 /nfs/dbraw/zinc/84/28/42/1022842842.db2.gz WNXMQMUBGKQAHD-MRXNPFEDSA-N 1 2 328.460 3.965 20 0 EHADLO CCCCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000510673053 1022862277 /nfs/dbraw/zinc/86/22/77/1022862277.db2.gz YDDIKWATQZARQK-GOSISDBHSA-N 1 2 338.455 3.825 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cccc2[nH+]ccn21 ZINC000188754149 1022888069 /nfs/dbraw/zinc/88/80/69/1022888069.db2.gz IXOJZZCFMQYCEP-RDTXWAMCSA-N 1 2 341.842 3.950 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)[nH]1 ZINC000894777421 1022892292 /nfs/dbraw/zinc/89/22/92/1022892292.db2.gz JVGYCWURWUKSAP-LBPRGKRZSA-N 1 2 327.457 3.704 20 0 EHADLO O=C(c1ccccc1Oc1ccncc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000517968577 1022899987 /nfs/dbraw/zinc/89/99/87/1022899987.db2.gz YOYFKQVRLXAHTH-HNNXBMFYSA-N 1 2 348.406 3.617 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC000458970185 1022907142 /nfs/dbraw/zinc/90/71/42/1022907142.db2.gz SCUJHRJRJJLONZ-HOTGVXAUSA-N 1 2 334.508 3.599 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000519577744 1022931754 /nfs/dbraw/zinc/93/17/54/1022931754.db2.gz YLFKZRJMGNGHAC-CRAIPNDOSA-N 1 2 343.471 3.534 20 0 EHADLO C[C@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000438740045 1022960820 /nfs/dbraw/zinc/96/08/20/1022960820.db2.gz WQFODSYNUWHARP-YJBOKZPZSA-N 1 2 341.455 3.863 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000933769262 1022965098 /nfs/dbraw/zinc/96/50/98/1022965098.db2.gz ZTTZWNCPAIRSST-RDGPPVDQSA-N 1 2 337.467 3.646 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000933769260 1022965489 /nfs/dbraw/zinc/96/54/89/1022965489.db2.gz ZTTZWNCPAIRSST-FCGDIQPGSA-N 1 2 337.467 3.646 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000438761794 1022976639 /nfs/dbraw/zinc/97/66/39/1022976639.db2.gz DDMKTIBCPXWUDG-AWEZNQCLSA-N 1 2 337.876 3.525 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000438761794 1022976651 /nfs/dbraw/zinc/97/66/51/1022976651.db2.gz DDMKTIBCPXWUDG-AWEZNQCLSA-N 1 2 337.876 3.525 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000562965106 1023015967 /nfs/dbraw/zinc/01/59/67/1023015967.db2.gz PWYUJMFKAJAUBT-HOCLYGCPSA-N 1 2 331.847 3.838 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000562965106 1023015980 /nfs/dbraw/zinc/01/59/80/1023015980.db2.gz PWYUJMFKAJAUBT-HOCLYGCPSA-N 1 2 331.847 3.838 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C(C)=C/c1ccccc1COC ZINC000506978354 1023057149 /nfs/dbraw/zinc/05/71/49/1023057149.db2.gz HFGGKNMIFKHKSB-NRMGUKERSA-N 1 2 331.456 3.654 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1C/C(C)=C/c1ccccc1COC ZINC000506978354 1023057158 /nfs/dbraw/zinc/05/71/58/1023057158.db2.gz HFGGKNMIFKHKSB-NRMGUKERSA-N 1 2 331.456 3.654 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000128896966 1023057946 /nfs/dbraw/zinc/05/79/46/1023057946.db2.gz FFQKMUXBKYZKLN-CZUORRHYSA-N 1 2 346.406 3.536 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1sccc1-n1cccc1 ZINC000343276975 1023059856 /nfs/dbraw/zinc/05/98/56/1023059856.db2.gz QLQMERWZPKACES-UHFFFAOYSA-N 1 2 334.404 3.977 20 0 EHADLO C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)Cn1cc[nH+]c1 ZINC000426878621 1023096637 /nfs/dbraw/zinc/09/66/37/1023096637.db2.gz JIYOPYBXTMXYAS-CYBMUJFWSA-N 1 2 342.830 3.598 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(O)c1 ZINC000189772027 1023099902 /nfs/dbraw/zinc/09/99/02/1023099902.db2.gz LSCZVIUSDUVVSN-AWEZNQCLSA-N 1 2 344.480 3.535 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129646101 1023111756 /nfs/dbraw/zinc/11/17/56/1023111756.db2.gz NLENGCUAXFTPAS-RKVPGOIHSA-N 1 2 342.443 3.706 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)n2)cc1 ZINC000548427302 1023111799 /nfs/dbraw/zinc/11/17/99/1023111799.db2.gz WARDOGWFAJFOPI-AAEUAGOBSA-N 1 2 325.334 3.818 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)n2)cc1 ZINC000548427302 1023111806 /nfs/dbraw/zinc/11/18/06/1023111806.db2.gz WARDOGWFAJFOPI-AAEUAGOBSA-N 1 2 325.334 3.818 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518192768 1023113252 /nfs/dbraw/zinc/11/32/52/1023113252.db2.gz QJIGARBKBDHJRA-WBVHZDCISA-N 1 2 329.444 3.746 20 0 EHADLO CCOc1cc(F)c(CN2CCC(Oc3cc[nH+]cc3)CC2)c(F)c1 ZINC001143564729 1023124019 /nfs/dbraw/zinc/12/40/19/1023124019.db2.gz KBNNKTMMGWNBCS-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO CC(C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000440485680 1023125309 /nfs/dbraw/zinc/12/53/09/1023125309.db2.gz MWEWGASVAXPIKZ-INIZCTEOSA-N 1 2 345.512 3.524 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441479009 1023142142 /nfs/dbraw/zinc/14/21/42/1023142142.db2.gz GRBFFKCTQNZDFF-QWFCFKBJSA-N 1 2 325.456 3.794 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000156556751 1023145425 /nfs/dbraw/zinc/14/54/25/1023145425.db2.gz FJTYSSDLGRWAID-OAHLLOKOSA-N 1 2 331.485 3.650 20 0 EHADLO c1ccc(-c2cccc(CNc3ccc(N4CCCC4)c[nH+]3)c2)nc1 ZINC000438951483 1023167742 /nfs/dbraw/zinc/16/77/42/1023167742.db2.gz VKSXLSFFVIPBOL-UHFFFAOYSA-N 1 2 330.435 3.778 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000507184251 1023169346 /nfs/dbraw/zinc/16/93/46/1023169346.db2.gz UKXUXDNMXJYKCO-NVXWUHKLSA-N 1 2 346.519 3.933 20 0 EHADLO C[N@@H+]1CCC12CN(C(=O)c1ccc3c(c1)[nH]cc3C1CCCCC1)C2 ZINC001270425319 1023209733 /nfs/dbraw/zinc/20/97/33/1023209733.db2.gz YPONIOGQGQREEC-UHFFFAOYSA-N 1 2 337.467 3.746 20 0 EHADLO C[N@H+]1CCC12CN(C(=O)c1ccc3c(c1)[nH]cc3C1CCCCC1)C2 ZINC001270425319 1023209741 /nfs/dbraw/zinc/20/97/41/1023209741.db2.gz YPONIOGQGQREEC-UHFFFAOYSA-N 1 2 337.467 3.746 20 0 EHADLO Cc1noc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000276872329 1023270590 /nfs/dbraw/zinc/27/05/90/1023270590.db2.gz YEOVIIVTRFIKCG-OAHLLOKOSA-N 1 2 338.249 3.802 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431119923 1023282626 /nfs/dbraw/zinc/28/26/26/1023282626.db2.gz SKWMVGSUSXIGAL-MISYRCLQSA-N 1 2 341.426 3.754 20 0 EHADLO C[C@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554919 1023290126 /nfs/dbraw/zinc/29/01/26/1023290126.db2.gz CTMKTCNDUOSDHU-SJCJKPOMSA-N 1 2 346.272 3.681 20 0 EHADLO C[C@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554919 1023290131 /nfs/dbraw/zinc/29/01/31/1023290131.db2.gz CTMKTCNDUOSDHU-SJCJKPOMSA-N 1 2 346.272 3.681 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703963 1023298557 /nfs/dbraw/zinc/29/85/57/1023298557.db2.gz HULFPRIDBXZNBQ-HRAATJIYSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703963 1023298564 /nfs/dbraw/zinc/29/85/64/1023298564.db2.gz HULFPRIDBXZNBQ-HRAATJIYSA-N 1 2 337.467 3.650 20 0 EHADLO CO[C@@H](c1noc(C[NH+]2CCC(C)CC2)n1)c1ccccc1Cl ZINC000276887537 1023302279 /nfs/dbraw/zinc/30/22/79/1023302279.db2.gz GXZJPKRRSPEIPJ-MRXNPFEDSA-N 1 2 335.835 3.691 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000341777625 1023304964 /nfs/dbraw/zinc/30/49/64/1023304964.db2.gz NDDHPUPVWOYPPM-QFBILLFUSA-N 1 2 339.483 3.738 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001143413966 1023324058 /nfs/dbraw/zinc/32/40/58/1023324058.db2.gz XAJPYZXTXJIAHT-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001143413966 1023324065 /nfs/dbraw/zinc/32/40/65/1023324065.db2.gz XAJPYZXTXJIAHT-HNNXBMFYSA-N 1 2 333.378 3.765 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000128744958 1033125667 /nfs/dbraw/zinc/12/56/67/1033125667.db2.gz VJEYYPPXMRCYOJ-ZDUSSCGKSA-N 1 2 332.831 3.860 20 0 EHADLO Clc1ccccc1O[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000128744958 1033125679 /nfs/dbraw/zinc/12/56/79/1033125679.db2.gz VJEYYPPXMRCYOJ-ZDUSSCGKSA-N 1 2 332.831 3.860 20 0 EHADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2cc3ccccc3o2)oc1=S ZINC000176101511 1023453386 /nfs/dbraw/zinc/45/33/86/1023453386.db2.gz IHBBARJMKIGNCO-GFCCVEGCSA-N 1 2 345.424 3.545 20 0 EHADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2cc3ccccc3o2)oc1=S ZINC000176101511 1023453394 /nfs/dbraw/zinc/45/33/94/1023453394.db2.gz IHBBARJMKIGNCO-GFCCVEGCSA-N 1 2 345.424 3.545 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCc2sccc2C1 ZINC000009896597 1023498109 /nfs/dbraw/zinc/49/81/09/1023498109.db2.gz CPJGNZMBQSCINJ-ZZXKWVIFSA-N 1 2 335.432 3.532 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3cccnc3s2)cc1OC ZINC000341873899 1023504836 /nfs/dbraw/zinc/50/48/36/1023504836.db2.gz HXHTUGGTBVSGOR-JTQLQIEISA-N 1 2 347.415 3.698 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1c(F)cccc1F ZINC000276971315 1023504876 /nfs/dbraw/zinc/50/48/76/1023504876.db2.gz PLGVJXCTYKFYSE-SFHVURJKSA-N 1 2 333.378 3.577 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000588469558 1023603517 /nfs/dbraw/zinc/60/35/17/1023603517.db2.gz ALHJVDUPJNJSIZ-ZRUQZJFASA-N 1 2 332.494 3.728 20 0 EHADLO CCCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1OCCC ZINC000535748256 1023604819 /nfs/dbraw/zinc/60/48/19/1023604819.db2.gz CDTUVWNTURTBIP-UHFFFAOYSA-N 1 2 342.439 3.950 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000535774395 1023624424 /nfs/dbraw/zinc/62/44/24/1023624424.db2.gz JWPWEWMEIKHVNK-UHFFFAOYSA-N 1 2 347.422 3.883 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H]1CO ZINC000934016611 1023681999 /nfs/dbraw/zinc/68/19/99/1023681999.db2.gz IRRNGVGBSSJQEV-GXSJLCMTSA-N 1 2 327.211 3.776 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H]1CO ZINC000934016611 1023682003 /nfs/dbraw/zinc/68/20/03/1023682003.db2.gz IRRNGVGBSSJQEV-GXSJLCMTSA-N 1 2 327.211 3.776 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 ZINC000341981945 1023732683 /nfs/dbraw/zinc/73/26/83/1023732683.db2.gz GCKRMUQBXCLSEJ-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 ZINC000341981945 1023732691 /nfs/dbraw/zinc/73/26/91/1023732691.db2.gz GCKRMUQBXCLSEJ-HXUWFJFHSA-N 1 2 336.435 3.837 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000588473454 1023782714 /nfs/dbraw/zinc/78/27/14/1023782714.db2.gz JXUCTCZMWHOICO-BENRWUELSA-N 1 2 338.238 3.800 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(SC)c(OC)c2)[nH]1 ZINC000277142110 1023827859 /nfs/dbraw/zinc/82/78/59/1023827859.db2.gz DWQYDUVRNGECNW-VXGBXAGGSA-N 1 2 334.489 3.900 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cn(C(C)C)nn3)oc21 ZINC000342085507 1023894056 /nfs/dbraw/zinc/89/40/56/1023894056.db2.gz NPDWNUJIJLYSOO-CYBMUJFWSA-N 1 2 328.416 3.855 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCc2ccccc2CC1 ZINC000528962400 1033170089 /nfs/dbraw/zinc/17/00/89/1033170089.db2.gz HAMYIFRATFIYOY-UHFFFAOYSA-N 1 2 345.446 3.684 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000602793873 1033170460 /nfs/dbraw/zinc/17/04/60/1033170460.db2.gz TVKXRCIPCLAXDZ-GFCCVEGCSA-N 1 2 346.814 3.965 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000602793873 1033170474 /nfs/dbraw/zinc/17/04/74/1033170474.db2.gz TVKXRCIPCLAXDZ-GFCCVEGCSA-N 1 2 346.814 3.965 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC2(CC2)CC1 ZINC000434335462 1023964017 /nfs/dbraw/zinc/96/40/17/1023964017.db2.gz NAGABYIMNOBNQP-UHFFFAOYSA-N 1 2 332.492 3.590 20 0 EHADLO C[C@H](OCCCNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000192269344 1023966712 /nfs/dbraw/zinc/96/67/12/1023966712.db2.gz VHBXEJUECLEJTR-INIZCTEOSA-N 1 2 326.444 3.657 20 0 EHADLO C[C@H](OCCCNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000192269344 1023966728 /nfs/dbraw/zinc/96/67/28/1023966728.db2.gz VHBXEJUECLEJTR-INIZCTEOSA-N 1 2 326.444 3.657 20 0 EHADLO CCC[C@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459109238 1024000578 /nfs/dbraw/zinc/00/05/78/1024000578.db2.gz DUKBFVXYOFMXST-IRXDYDNUSA-N 1 2 346.519 3.967 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513994719 1024022978 /nfs/dbraw/zinc/02/29/78/1024022978.db2.gz OWVWUJSVZABZSP-SFHVURJKSA-N 1 2 328.843 3.689 20 0 EHADLO CCCCSCCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513993924 1024023069 /nfs/dbraw/zinc/02/30/69/1024023069.db2.gz HJEACJABSXPYCQ-MRXNPFEDSA-N 1 2 340.920 3.736 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514000167 1024043517 /nfs/dbraw/zinc/04/35/17/1024043517.db2.gz VAZCGJYMOKLCRQ-CZUORRHYSA-N 1 2 340.920 3.735 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000665106550 1024051391 /nfs/dbraw/zinc/05/13/91/1024051391.db2.gz PWDNCPHFEALEEO-QGZVFWFLSA-N 1 2 333.863 3.873 20 0 EHADLO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586296 1024077325 /nfs/dbraw/zinc/07/73/25/1024077325.db2.gz WBNGKVBCDWTZCO-IRXDYDNUSA-N 1 2 334.435 3.718 20 0 EHADLO Cc1cc(F)cc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001143586296 1024077338 /nfs/dbraw/zinc/07/73/38/1024077338.db2.gz WBNGKVBCDWTZCO-IRXDYDNUSA-N 1 2 334.435 3.718 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccc(Cl)cn1 ZINC000434492173 1024082474 /nfs/dbraw/zinc/08/24/74/1024082474.db2.gz GERASUZAWOEHTA-UHFFFAOYSA-N 1 2 347.821 3.634 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@@H](C)CC2)c1C ZINC000443553810 1024133804 /nfs/dbraw/zinc/13/38/04/1024133804.db2.gz QWIJFMVZVJQRSS-CZUORRHYSA-N 1 2 333.476 3.817 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000522663932 1024157641 /nfs/dbraw/zinc/15/76/41/1024157641.db2.gz ANXGOVGFOLNSCT-UHFFFAOYSA-N 1 2 329.444 3.516 20 0 EHADLO O=C(CCCCC1CCCCC1)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001269815088 1024177603 /nfs/dbraw/zinc/17/76/03/1024177603.db2.gz ODUKHONJJSPGKQ-UHFFFAOYSA-N 1 2 343.515 3.800 20 0 EHADLO CC(C)c1ccc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C(C)C)c1 ZINC000520593147 1024178517 /nfs/dbraw/zinc/17/85/17/1024178517.db2.gz PTIPGUWITSUQEI-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO CC(C)c1ccc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C(C)C)c1 ZINC000520593147 1024178522 /nfs/dbraw/zinc/17/85/22/1024178522.db2.gz PTIPGUWITSUQEI-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CCCCC1 ZINC000514155604 1024186391 /nfs/dbraw/zinc/18/63/91/1024186391.db2.gz JBXITFBENDPRGH-MSOLQXFVSA-N 1 2 343.515 3.893 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cccc(OC)c1 ZINC000434620966 1024189987 /nfs/dbraw/zinc/18/99/87/1024189987.db2.gz NPRIUXKJWYQKJM-OALUTQOASA-N 1 2 325.408 3.574 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cccc(OC)c1 ZINC000434620966 1024189994 /nfs/dbraw/zinc/18/99/94/1024189994.db2.gz NPRIUXKJWYQKJM-OALUTQOASA-N 1 2 325.408 3.574 20 0 EHADLO COc1cccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000342139811 1024215791 /nfs/dbraw/zinc/21/57/91/1024215791.db2.gz XYESQURBHSBBAQ-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO CC[C@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000522674539 1024269250 /nfs/dbraw/zinc/26/92/50/1024269250.db2.gz QZGNWXOMRXYWAQ-INIZCTEOSA-N 1 2 345.512 3.915 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000505466420 1024282537 /nfs/dbraw/zinc/28/25/37/1024282537.db2.gz AGYDMAZFDMMFNT-SJLPKXTDSA-N 1 2 332.488 3.775 20 0 EHADLO Clc1cc(N2CCC(Nc3cccc[nH+]3)CC2)nc(C2CCC2)n1 ZINC000895347377 1024335940 /nfs/dbraw/zinc/33/59/40/1024335940.db2.gz WIYJZGSUEZIGJZ-UHFFFAOYSA-N 1 2 343.862 3.873 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2C(F)F)c2ccco2)cc1 ZINC000449780842 1033203750 /nfs/dbraw/zinc/20/37/50/1033203750.db2.gz WASSQXDZBOLEME-INIZCTEOSA-N 1 2 347.365 3.839 20 0 EHADLO Cc1cnc(N2CCC(Nc3cccc[nH+]3)CC2)c(Br)c1 ZINC000895347208 1024347699 /nfs/dbraw/zinc/34/76/99/1024347699.db2.gz RJXWUVJNJNKTEE-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO Cc1cc(C(F)(F)F)cnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895347512 1024350468 /nfs/dbraw/zinc/35/04/68/1024350468.db2.gz ZWZCPGPDUPHQJH-UHFFFAOYSA-N 1 2 336.361 3.885 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c(F)c1 ZINC000324289231 1024363321 /nfs/dbraw/zinc/36/33/21/1024363321.db2.gz MXGRVRRRXYWCNX-STQMWFEESA-N 1 2 332.423 3.564 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c(F)c1 ZINC000324289225 1024364179 /nfs/dbraw/zinc/36/41/79/1024364179.db2.gz MXGRVRRRXYWCNX-CHWSQXEVSA-N 1 2 332.423 3.564 20 0 EHADLO c1n[nH]c([C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C2CCCCC2)n1 ZINC000330253471 1024372582 /nfs/dbraw/zinc/37/25/82/1024372582.db2.gz IXLREFTUOLTXIW-DLBZAZTESA-N 1 2 332.492 3.898 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151675783 1024379387 /nfs/dbraw/zinc/37/93/87/1024379387.db2.gz COXUAGLMHQDQHL-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO CCCc1occc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000280889526 1024404745 /nfs/dbraw/zinc/40/47/45/1024404745.db2.gz AUGQBZUPAVDFTH-UHFFFAOYSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000505507587 1024412091 /nfs/dbraw/zinc/41/20/91/1024412091.db2.gz RQTUVNUPHLFTQH-FZKQIMNGSA-N 1 2 346.833 3.756 20 0 EHADLO CC(C)Oc1ccc(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000191586729 1024429537 /nfs/dbraw/zinc/42/95/37/1024429537.db2.gz GUFMGENACXVDFJ-UHFFFAOYSA-N 1 2 335.407 3.936 20 0 EHADLO Fc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1F ZINC000113713287 1024434369 /nfs/dbraw/zinc/43/43/69/1024434369.db2.gz WCIWTUVDCCFTSW-UHFFFAOYSA-N 1 2 338.317 3.927 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC2(CCCC2)CC1 ZINC000664449689 1024442227 /nfs/dbraw/zinc/44/22/27/1024442227.db2.gz GCKHKBPENIIHPL-UHFFFAOYSA-N 1 2 326.444 3.590 20 0 EHADLO Cc1cccc2c1CCC[C@H]2NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664450259 1024444066 /nfs/dbraw/zinc/44/40/66/1024444066.db2.gz MXKWDGYMKUWHTI-GOSISDBHSA-N 1 2 334.423 3.520 20 0 EHADLO O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505529720 1024444108 /nfs/dbraw/zinc/44/41/08/1024444108.db2.gz JBOUNYMLXBHVFZ-FQEVSTJZSA-N 1 2 349.409 3.608 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000505536306 1024450171 /nfs/dbraw/zinc/45/01/71/1024450171.db2.gz OBVBMNZYDJOERF-ROUUACIJSA-N 1 2 344.503 3.840 20 0 EHADLO CS[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C ZINC000425229242 1024465717 /nfs/dbraw/zinc/46/57/17/1024465717.db2.gz BHCYHAJDYJWJFP-JKSUJKDBSA-N 1 2 345.512 3.826 20 0 EHADLO CCc1cnc(C[N@H+](CCCC(=O)OC)Cc2ccccc2)s1 ZINC000346187185 1024470267 /nfs/dbraw/zinc/47/02/67/1024470267.db2.gz AXYVTMHUUQVNKV-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO CCc1cnc(C[N@@H+](CCCC(=O)OC)Cc2ccccc2)s1 ZINC000346187185 1024470277 /nfs/dbraw/zinc/47/02/77/1024470277.db2.gz AXYVTMHUUQVNKV-UHFFFAOYSA-N 1 2 332.469 3.661 20 0 EHADLO O=C([C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1)N1CCCC1 ZINC000342229764 1024481627 /nfs/dbraw/zinc/48/16/27/1024481627.db2.gz VHJPMUOUVHZRKT-AWEZNQCLSA-N 1 2 343.858 3.727 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000342238178 1024512406 /nfs/dbraw/zinc/51/24/06/1024512406.db2.gz LHQOEWRTCZSYFM-WOJBJXKFSA-N 1 2 345.446 3.948 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000895458644 1024523041 /nfs/dbraw/zinc/52/30/41/1024523041.db2.gz WLLQIRUQOFXIGF-UHFFFAOYSA-N 1 2 340.254 3.892 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514526601 1024529037 /nfs/dbraw/zinc/52/90/37/1024529037.db2.gz OJFSDQXWJLNOCW-ZDUSSCGKSA-N 1 2 346.393 3.568 20 0 EHADLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000514526601 1024529042 /nfs/dbraw/zinc/52/90/42/1024529042.db2.gz OJFSDQXWJLNOCW-ZDUSSCGKSA-N 1 2 346.393 3.568 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000895117025 1024539875 /nfs/dbraw/zinc/53/98/75/1024539875.db2.gz ZJJOSFFYIGKGJP-UHFFFAOYSA-N 1 2 336.476 3.916 20 0 EHADLO C[NH+](C)Cc1csc(CNc2nc(C3CCCCC3)ns2)n1 ZINC000895479989 1024552147 /nfs/dbraw/zinc/55/21/47/1024552147.db2.gz CUAFCRQYLGPMPM-UHFFFAOYSA-N 1 2 337.518 3.716 20 0 EHADLO CCCCc1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000514572412 1024560793 /nfs/dbraw/zinc/56/07/93/1024560793.db2.gz OCQCNQQZKHEPNJ-IBGZPJMESA-N 1 2 342.487 3.922 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000413428057 1024596475 /nfs/dbraw/zinc/59/64/75/1024596475.db2.gz ALWKXXRASRYDSS-KRWDZBQOSA-N 1 2 333.439 3.875 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](Cc4ccccc4)C3)ccn12 ZINC000514612970 1024605531 /nfs/dbraw/zinc/60/55/31/1024605531.db2.gz ZKVSGMJDZJLZCO-GOSISDBHSA-N 1 2 333.435 3.738 20 0 EHADLO CC(C)[C@H](C)CC(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000435096345 1024617917 /nfs/dbraw/zinc/61/79/17/1024617917.db2.gz VTZYUELOROJXMA-HZPDHXFCSA-N 1 2 349.544 3.638 20 0 EHADLO CC(C)[C@H](C)CC(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000435096345 1024617923 /nfs/dbraw/zinc/61/79/23/1024617923.db2.gz VTZYUELOROJXMA-HZPDHXFCSA-N 1 2 349.544 3.638 20 0 EHADLO COc1ccnc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884668 1024618749 /nfs/dbraw/zinc/61/87/49/1024618749.db2.gz HBTAGJJAFGCBBZ-HZPDHXFCSA-N 1 2 336.395 3.696 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000514628947 1024619728 /nfs/dbraw/zinc/61/97/28/1024619728.db2.gz WYYBONDTVPFVFK-BPLDGKMQSA-N 1 2 338.377 3.852 20 0 EHADLO CC1(C)CCc2cc(C[N@@H+]3CCOC[C@H]3CC(F)F)ccc2O1 ZINC000514633870 1024623538 /nfs/dbraw/zinc/62/35/38/1024623538.db2.gz QQLJEDITNJFKJG-OAHLLOKOSA-N 1 2 325.399 3.646 20 0 EHADLO CC1(C)CCc2cc(C[N@H+]3CCOC[C@H]3CC(F)F)ccc2O1 ZINC000514633870 1024623540 /nfs/dbraw/zinc/62/35/40/1024623540.db2.gz QQLJEDITNJFKJG-OAHLLOKOSA-N 1 2 325.399 3.646 20 0 EHADLO CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001625933597 1024625422 /nfs/dbraw/zinc/62/54/22/1024625422.db2.gz ZEMGQGGJXFZGOM-HUUCEWRRSA-N 1 2 331.435 3.597 20 0 EHADLO CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001625933597 1024625431 /nfs/dbraw/zinc/62/54/31/1024625431.db2.gz ZEMGQGGJXFZGOM-HUUCEWRRSA-N 1 2 331.435 3.597 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000428292108 1024646386 /nfs/dbraw/zinc/64/63/86/1024646386.db2.gz AAASSRWMXVUMRJ-CJNGLKHVSA-N 1 2 336.382 3.693 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000428292108 1024646395 /nfs/dbraw/zinc/64/63/95/1024646395.db2.gz AAASSRWMXVUMRJ-CJNGLKHVSA-N 1 2 336.382 3.693 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](CC)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000505615352 1024649609 /nfs/dbraw/zinc/64/96/09/1024649609.db2.gz ZBTJIYKGZOZWER-QGZVFWFLSA-N 1 2 347.480 3.518 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](CC)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000505615352 1024649615 /nfs/dbraw/zinc/64/96/15/1024649615.db2.gz ZBTJIYKGZOZWER-QGZVFWFLSA-N 1 2 347.480 3.518 20 0 EHADLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065691497 1033226633 /nfs/dbraw/zinc/22/66/33/1033226633.db2.gz ZEUNDXUPOYIAKQ-DEDYPNTBSA-N 1 2 345.443 3.764 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000664473175 1024661298 /nfs/dbraw/zinc/66/12/98/1024661298.db2.gz REXNSOJDMIMLEV-IBGZPJMESA-N 1 2 336.439 3.920 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000537960342 1024663061 /nfs/dbraw/zinc/66/30/61/1024663061.db2.gz RQEYWIZLSDAWLO-NSHDSACASA-N 1 2 344.484 3.742 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346388653 1024677956 /nfs/dbraw/zinc/67/79/56/1024677956.db2.gz WWCWKPMCHATVSA-IUODEOHRSA-N 1 2 331.847 3.573 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514696631 1024678588 /nfs/dbraw/zinc/67/85/88/1024678588.db2.gz NOFQSWQIIFLYKG-INIZCTEOSA-N 1 2 336.395 3.542 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343355960 1024694856 /nfs/dbraw/zinc/69/48/56/1024694856.db2.gz PETOAZWFQQWVBH-KRWDZBQOSA-N 1 2 326.444 3.871 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c1Cl ZINC000892100711 1024695341 /nfs/dbraw/zinc/69/53/41/1024695341.db2.gz IFGWZHVBLLFHOA-UHFFFAOYSA-N 1 2 332.879 3.767 20 0 EHADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281174684 1024702861 /nfs/dbraw/zinc/70/28/61/1024702861.db2.gz LLGVWEODNICGEB-HUUCEWRRSA-N 1 2 349.434 3.546 20 0 EHADLO Fc1cc(Br)cc2c1C[N@H+](CCc1ccncc1)CC2 ZINC000342283230 1024711173 /nfs/dbraw/zinc/71/11/73/1024711173.db2.gz PTLDEQNYVXWMOY-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO Fc1cc(Br)cc2c1C[N@@H+](CCc1ccncc1)CC2 ZINC000342283230 1024711187 /nfs/dbraw/zinc/71/11/87/1024711187.db2.gz PTLDEQNYVXWMOY-UHFFFAOYSA-N 1 2 335.220 3.584 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(C3CCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000892103558 1024714157 /nfs/dbraw/zinc/71/41/57/1024714157.db2.gz YXIMRORGMYJNHM-AUUYWEPGSA-N 1 2 329.419 3.709 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000892103558 1024714166 /nfs/dbraw/zinc/71/41/66/1024714166.db2.gz YXIMRORGMYJNHM-AUUYWEPGSA-N 1 2 329.419 3.709 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000892104326 1024716684 /nfs/dbraw/zinc/71/66/84/1024716684.db2.gz BHNPRYPEBJACAN-UHFFFAOYSA-N 1 2 338.473 3.850 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCOC2(CCC2)C1 ZINC000892104326 1024716697 /nfs/dbraw/zinc/71/66/97/1024716697.db2.gz BHNPRYPEBJACAN-UHFFFAOYSA-N 1 2 338.473 3.850 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)Cc2cnc(CC(F)(F)F)s2)c1C ZINC000895691391 1024723941 /nfs/dbraw/zinc/72/39/41/1024723941.db2.gz FAJKQPXBYSCAFT-UHFFFAOYSA-N 1 2 346.422 3.713 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)Cc2cnc(CC(F)(F)F)s2)c1C ZINC000895691391 1024724028 /nfs/dbraw/zinc/72/40/28/1024724028.db2.gz FAJKQPXBYSCAFT-UHFFFAOYSA-N 1 2 346.422 3.713 20 0 EHADLO CSC[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425310596 1024725683 /nfs/dbraw/zinc/72/56/83/1024725683.db2.gz HTLKJUZUSAHGBU-WBVHZDCISA-N 1 2 343.496 3.533 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1nccn1C(C)C ZINC000657298700 1024730061 /nfs/dbraw/zinc/73/00/61/1024730061.db2.gz YGFFPDCKCABGAM-UHFFFAOYSA-N 1 2 337.471 3.615 20 0 EHADLO CC(C)(CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425313135 1024732431 /nfs/dbraw/zinc/73/24/31/1024732431.db2.gz LJDXUHAPGRPMNU-QGZVFWFLSA-N 1 2 325.456 3.874 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCCCC1(F)F ZINC000425321393 1024758360 /nfs/dbraw/zinc/75/83/60/1024758360.db2.gz YTAUYBVUXSXZIY-JKSUJKDBSA-N 1 2 347.409 3.873 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[C@@H](C2CCCC2)C1 ZINC000425327384 1024771557 /nfs/dbraw/zinc/77/15/57/1024771557.db2.gz NEZDBMSWTMQOMV-RTBURBONSA-N 1 2 337.467 3.970 20 0 EHADLO C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000435326262 1024783894 /nfs/dbraw/zinc/78/38/94/1024783894.db2.gz CWANUORWWBOHTN-AWEZNQCLSA-N 1 2 331.847 3.611 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000346542572 1024843936 /nfs/dbraw/zinc/84/39/36/1024843936.db2.gz IGGGBMDWPOWFSQ-CQSZACIVSA-N 1 2 338.411 3.842 20 0 EHADLO COC(=O)c1ccc(OC(C)C)c(NCc2c[nH+]cn2C(C)C)c1 ZINC000425362158 1024847343 /nfs/dbraw/zinc/84/73/43/1024847343.db2.gz UTMKEUMUVQBTFC-UHFFFAOYSA-N 1 2 331.416 3.650 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cs1 ZINC000342317768 1024851231 /nfs/dbraw/zinc/85/12/31/1024851231.db2.gz AHUYMFUBDZRKOC-DOMZBBRYSA-N 1 2 336.505 3.851 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cs1 ZINC000342317770 1024851763 /nfs/dbraw/zinc/85/17/63/1024851763.db2.gz AHUYMFUBDZRKOC-IUODEOHRSA-N 1 2 336.505 3.851 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000346598468 1024910662 /nfs/dbraw/zinc/91/06/62/1024910662.db2.gz GHLZZLJNRNRBFF-WMLDXEAASA-N 1 2 340.389 3.546 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000346598468 1024910675 /nfs/dbraw/zinc/91/06/75/1024910675.db2.gz GHLZZLJNRNRBFF-WMLDXEAASA-N 1 2 340.389 3.546 20 0 EHADLO Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000487408464 1024915405 /nfs/dbraw/zinc/91/54/05/1024915405.db2.gz JQQYRJSXUSSBJH-KRWDZBQOSA-N 1 2 333.435 3.884 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761052420 1033245584 /nfs/dbraw/zinc/24/55/84/1033245584.db2.gz OIDXMHFDAGNOLG-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761052420 1033245590 /nfs/dbraw/zinc/24/55/90/1033245590.db2.gz OIDXMHFDAGNOLG-MNOVXSKESA-N 1 2 332.391 3.620 20 0 EHADLO CCC[N@H+](CC(=O)N(CC)CC)Cc1ccccc1Br ZINC000346645830 1024956766 /nfs/dbraw/zinc/95/67/66/1024956766.db2.gz CSHMVQUJASBGPU-UHFFFAOYSA-N 1 2 341.293 3.530 20 0 EHADLO Cc1sccc1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346610370 1024950408 /nfs/dbraw/zinc/95/04/08/1024950408.db2.gz JOEPSYREYRKDFU-UHFFFAOYSA-N 1 2 331.485 3.515 20 0 EHADLO CCC[N@@H+](CC(=O)N(CC)CC)Cc1ccccc1Br ZINC000346645830 1024956774 /nfs/dbraw/zinc/95/67/74/1024956774.db2.gz CSHMVQUJASBGPU-UHFFFAOYSA-N 1 2 341.293 3.530 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000449819124 1033248184 /nfs/dbraw/zinc/24/81/84/1033248184.db2.gz HPCCAZAHRZHSOT-UHFFFAOYSA-N 1 2 341.455 3.928 20 0 EHADLO Cc1cc(N[C@H](c2ccc3c(c2)OCCO3)C(C)C)nc(C2CC2)[nH+]1 ZINC000346651062 1024962474 /nfs/dbraw/zinc/96/24/74/1024962474.db2.gz JFMMGCLRVYQPJM-IBGZPJMESA-N 1 2 339.439 3.665 20 0 EHADLO Cc1cc(N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc(C2CC2)[nH+]1 ZINC000346651066 1024962743 /nfs/dbraw/zinc/96/27/43/1024962743.db2.gz JFMMGCLRVYQPJM-LJQANCHMSA-N 1 2 339.439 3.665 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(C2CC2)[nH+]1 ZINC000346633783 1024974583 /nfs/dbraw/zinc/97/45/83/1024974583.db2.gz LMINOLKOJZCEQZ-MRXNPFEDSA-N 1 2 337.423 3.775 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccsc2)O1 ZINC000892139830 1024980242 /nfs/dbraw/zinc/98/02/42/1024980242.db2.gz FGSMYQGVTQSMSE-XHDPSFHLSA-N 1 2 330.409 3.557 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)C[C@H](c2ccsc2)O1 ZINC000892139830 1024980252 /nfs/dbraw/zinc/98/02/52/1024980252.db2.gz FGSMYQGVTQSMSE-XHDPSFHLSA-N 1 2 330.409 3.557 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)n1 ZINC000346639484 1024981225 /nfs/dbraw/zinc/98/12/25/1024981225.db2.gz NDFHOGRRNPXAMR-HXUWFJFHSA-N 1 2 336.414 3.561 20 0 EHADLO C[C@H](CC(=O)N(c1ccc(Br)cc1)C1CC1)n1cc[nH+]c1 ZINC000563222845 1025004905 /nfs/dbraw/zinc/00/49/05/1025004905.db2.gz YEGHQNOLAKLSPU-GFCCVEGCSA-N 1 2 348.244 3.792 20 0 EHADLO CC(=O)N(c1nc(C[NH+]2CC(C)(C)CC(C)(C)C2)cs1)C1CC1 ZINC000342357485 1025040082 /nfs/dbraw/zinc/04/00/82/1025040082.db2.gz GGLJSBXXIISOQG-UHFFFAOYSA-N 1 2 335.517 3.917 20 0 EHADLO Cc1cccn2c(CN3CC[C@@](F)(c4ccccc4F)C3)c[nH+]c12 ZINC000515140176 1025042755 /nfs/dbraw/zinc/04/27/55/1025042755.db2.gz HJHGQERKLPSAPJ-IBGZPJMESA-N 1 2 327.378 3.853 20 0 EHADLO CCSc1ccccc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000346728127 1025043011 /nfs/dbraw/zinc/04/30/11/1025043011.db2.gz AUNVWVZFYJFCIB-CQSZACIVSA-N 1 2 339.468 3.625 20 0 EHADLO CC[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2O1 ZINC000342360204 1025056181 /nfs/dbraw/zinc/05/61/81/1025056181.db2.gz BADJMDJWHODDMB-GOSISDBHSA-N 1 2 347.418 3.749 20 0 EHADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000054022748 1025088057 /nfs/dbraw/zinc/08/80/57/1025088057.db2.gz OUSHVFOIALGEOW-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO C[C@@]1(F)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346752525 1025090651 /nfs/dbraw/zinc/09/06/51/1025090651.db2.gz FYIKXEAHTYVSOH-LJQANCHMSA-N 1 2 340.402 3.568 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@](=O)C1 ZINC000277440522 1025102679 /nfs/dbraw/zinc/10/26/79/1025102679.db2.gz KBQIPNSULRXVOK-WAIKUNEKSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@](=O)C1 ZINC000277440522 1025102685 /nfs/dbraw/zinc/10/26/85/1025102685.db2.gz KBQIPNSULRXVOK-WAIKUNEKSA-N 1 2 329.465 3.679 20 0 EHADLO c1cn(-c2cccc(-c3noc(C[C@H]4CCC5(CCC5)O4)n3)c2)c[nH+]1 ZINC000896086789 1025129468 /nfs/dbraw/zinc/12/94/68/1025129468.db2.gz IKTOJCASNHABMI-MRXNPFEDSA-N 1 2 336.395 3.567 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc(C2CC2)no1 ZINC000281529487 1025133201 /nfs/dbraw/zinc/13/32/01/1025133201.db2.gz CJYSREGWUJSQSD-UHFFFAOYSA-N 1 2 346.390 3.720 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1cccnc1 ZINC000113314255 1025145215 /nfs/dbraw/zinc/14/52/15/1025145215.db2.gz AFAGKXNECYTREG-CQSZACIVSA-N 1 2 325.437 3.968 20 0 EHADLO C[C@H](CF)[NH2+]Cc1cc(Br)sc1Br ZINC000641753399 1033261906 /nfs/dbraw/zinc/26/19/06/1033261906.db2.gz BFMCROSPICFZKE-RXMQYKEDSA-N 1 2 331.048 3.721 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582066076 1025147055 /nfs/dbraw/zinc/14/70/55/1025147055.db2.gz OLBLWEPLJZUEHI-DOTOQJQBSA-N 1 2 341.455 3.704 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)c2ccccc21 ZINC000582066215 1025147514 /nfs/dbraw/zinc/14/75/14/1025147514.db2.gz UEQONQHHVFAJFL-GJYPPUQNSA-N 1 2 325.456 3.878 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000657322963 1025163710 /nfs/dbraw/zinc/16/37/10/1025163710.db2.gz LKJZBKWKCUJBJJ-HNNXBMFYSA-N 1 2 328.460 3.738 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(CC3CCCCC3)n2)c1 ZINC000521046773 1025180968 /nfs/dbraw/zinc/18/09/68/1025180968.db2.gz OPNNESRUEKSBNY-UHFFFAOYSA-N 1 2 341.455 3.692 20 0 EHADLO O=C(c1ccc(C2CC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437512 1025192857 /nfs/dbraw/zinc/19/28/57/1025192857.db2.gz BVYJHIPXSSJFQW-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000346830708 1025208973 /nfs/dbraw/zinc/20/89/73/1025208973.db2.gz RSYKMSBKJIBRPV-ROUUACIJSA-N 1 2 343.496 3.678 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000346830710 1025209528 /nfs/dbraw/zinc/20/95/28/1025209528.db2.gz RSYKMSBKJIBRPV-ZWKOTPCHSA-N 1 2 343.496 3.678 20 0 EHADLO Fc1ccc(I)c(F)c1CNc1cccc[nH+]1 ZINC000474611835 1025217052 /nfs/dbraw/zinc/21/70/52/1025217052.db2.gz KABNXNQWJAIFOS-UHFFFAOYSA-N 1 2 346.118 3.577 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)cc(C)nc1Cl ZINC000277473810 1025244985 /nfs/dbraw/zinc/24/49/85/1025244985.db2.gz HKBFTQUUGORPMB-UHFFFAOYSA-N 1 2 348.878 3.663 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000896227415 1025263923 /nfs/dbraw/zinc/26/39/23/1025263923.db2.gz NKGFRIINBVMLIP-LBPRGKRZSA-N 1 2 325.252 3.537 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000896227415 1025263933 /nfs/dbraw/zinc/26/39/33/1025263933.db2.gz NKGFRIINBVMLIP-LBPRGKRZSA-N 1 2 325.252 3.537 20 0 EHADLO C[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000474641252 1025268974 /nfs/dbraw/zinc/26/89/74/1025268974.db2.gz OIVGXFATMJKYNY-OAHLLOKOSA-N 1 2 342.870 3.618 20 0 EHADLO C[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000474641252 1025268981 /nfs/dbraw/zinc/26/89/81/1025268981.db2.gz OIVGXFATMJKYNY-OAHLLOKOSA-N 1 2 342.870 3.618 20 0 EHADLO CC(C)C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCCc2cccnc21 ZINC000425435296 1025274322 /nfs/dbraw/zinc/27/43/22/1025274322.db2.gz SBCQYBNHOUUZIS-CYBMUJFWSA-N 1 2 336.386 3.938 20 0 EHADLO CC(C)C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCCc2cccnc21 ZINC000425435296 1025274335 /nfs/dbraw/zinc/27/43/35/1025274335.db2.gz SBCQYBNHOUUZIS-CYBMUJFWSA-N 1 2 336.386 3.938 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000892185532 1025280919 /nfs/dbraw/zinc/28/09/19/1025280919.db2.gz NMPVZIKHCMJJRD-INIZCTEOSA-N 1 2 336.476 3.522 20 0 EHADLO CCc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1O ZINC000546396399 1025290850 /nfs/dbraw/zinc/29/08/50/1025290850.db2.gz AJBHFXXXTVGUAX-UHFFFAOYSA-N 1 2 332.363 3.857 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CO2 ZINC000342416374 1025306162 /nfs/dbraw/zinc/30/61/62/1025306162.db2.gz LQAXWDOZOBDVPK-JSGCOSHPSA-N 1 2 336.844 3.871 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4cccc5cnccc54)no3)c2)c[nH+]1 ZINC000346404868 1025306505 /nfs/dbraw/zinc/30/65/05/1025306505.db2.gz QXQHQYWHAVQALE-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO O=C(C1=CCCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436023320 1025307039 /nfs/dbraw/zinc/30/70/39/1025307039.db2.gz VCOODOXGYNDQIN-UHFFFAOYSA-N 1 2 329.831 3.676 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000521288045 1025310010 /nfs/dbraw/zinc/31/00/10/1025310010.db2.gz HYIYBQHWDMLHCP-DLBZAZTESA-N 1 2 331.847 3.769 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1csc(C(C)(C)C)n1 ZINC000436024544 1025310262 /nfs/dbraw/zinc/31/02/62/1025310262.db2.gz YPDABFILFHNBLU-UHFFFAOYSA-N 1 2 332.448 3.983 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2c1 ZINC000515539242 1025332288 /nfs/dbraw/zinc/33/22/88/1025332288.db2.gz JICVJRKTGYVGNA-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO CCS[C@H](C)c1noc(C[NH+]2CCC3(CCSCC3)CC2)n1 ZINC000602950015 1033275003 /nfs/dbraw/zinc/27/50/03/1033275003.db2.gz XYUHTODTMMFPOI-CYBMUJFWSA-N 1 2 341.546 3.993 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515549167 1025342355 /nfs/dbraw/zinc/34/23/55/1025342355.db2.gz HYLDAIRCMJHQEN-AWEZNQCLSA-N 1 2 346.421 3.836 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515549167 1025342361 /nfs/dbraw/zinc/34/23/61/1025342361.db2.gz HYLDAIRCMJHQEN-AWEZNQCLSA-N 1 2 346.421 3.836 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccoc2)CC[C@H]1C(F)(F)F ZINC000896369386 1025385597 /nfs/dbraw/zinc/38/55/97/1025385597.db2.gz LEOMMRFLKNANOZ-OLZOCXBDSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1C(F)(F)F ZINC000896369386 1025385615 /nfs/dbraw/zinc/38/56/15/1025385615.db2.gz LEOMMRFLKNANOZ-OLZOCXBDSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000515602494 1025395823 /nfs/dbraw/zinc/39/58/23/1025395823.db2.gz FEFULHPDHYKCDF-JXFKEZNVSA-N 1 2 340.467 3.954 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000892203441 1025412147 /nfs/dbraw/zinc/41/21/47/1025412147.db2.gz DPQQMVJWMFLLQX-FATZIPQQSA-N 1 2 331.485 3.539 20 0 EHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000892203441 1025412152 /nfs/dbraw/zinc/41/21/52/1025412152.db2.gz DPQQMVJWMFLLQX-FATZIPQQSA-N 1 2 331.485 3.539 20 0 EHADLO O=C(CCC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098077968 1025415815 /nfs/dbraw/zinc/41/58/15/1025415815.db2.gz LVKXMWLQJBQGPM-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4C[C@@H]3C)n2)cc1 ZINC000607747549 1033281729 /nfs/dbraw/zinc/28/17/29/1033281729.db2.gz MGOKJHAQRJDSQL-AWEZNQCLSA-N 1 2 335.407 3.692 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3Cc4ccccc4C[C@@H]3C)n2)cc1 ZINC000607747549 1033281732 /nfs/dbraw/zinc/28/17/32/1033281732.db2.gz MGOKJHAQRJDSQL-AWEZNQCLSA-N 1 2 335.407 3.692 20 0 EHADLO Cc1cncc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000442695691 1025429982 /nfs/dbraw/zinc/42/99/82/1025429982.db2.gz WFXQZRFJQJTGHG-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c2c(n1)CCCC2 ZINC000896422326 1025433398 /nfs/dbraw/zinc/43/33/98/1025433398.db2.gz ADBYNSCXTXYQKW-XLIONFOSSA-N 1 2 326.415 3.830 20 0 EHADLO CC(C)COCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000521502709 1025440161 /nfs/dbraw/zinc/44/01/61/1025440161.db2.gz AGHBTLXREJGFCL-MRXNPFEDSA-N 1 2 347.377 3.631 20 0 EHADLO CC(C)COCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000521502709 1025440166 /nfs/dbraw/zinc/44/01/66/1025440166.db2.gz AGHBTLXREJGFCL-MRXNPFEDSA-N 1 2 347.377 3.631 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000684776878 1025455620 /nfs/dbraw/zinc/45/56/20/1025455620.db2.gz NPMUXBPEKJBBPP-BXUZGUMPSA-N 1 2 344.777 3.804 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@@H]2CCCc3ccccc32)c2cn[nH]n2)cc1 ZINC000521551154 1025457178 /nfs/dbraw/zinc/45/71/78/1025457178.db2.gz GPFYHZNJUYCNOR-JXFKEZNVSA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@H]([NH2+]C[C@@H]2CCCc3ccccc32)c2c[nH]nn2)cc1 ZINC000521551154 1025457185 /nfs/dbraw/zinc/45/71/85/1025457185.db2.gz GPFYHZNJUYCNOR-JXFKEZNVSA-N 1 2 336.414 3.743 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474786293 1025483147 /nfs/dbraw/zinc/48/31/47/1025483147.db2.gz YYSNYMQYIJLPIH-IUODEOHRSA-N 1 2 335.398 3.708 20 0 EHADLO CC(C)NC(=O)C[N@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000102675333 1025489100 /nfs/dbraw/zinc/48/91/00/1025489100.db2.gz SSNYAKAKTZVPPP-UHFFFAOYSA-N 1 2 345.512 3.890 20 0 EHADLO CC(C)NC(=O)C[N@@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000102675333 1025489107 /nfs/dbraw/zinc/48/91/07/1025489107.db2.gz SSNYAKAKTZVPPP-UHFFFAOYSA-N 1 2 345.512 3.890 20 0 EHADLO O=C(Cc1ccc(O)cc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121575480 1025512816 /nfs/dbraw/zinc/51/28/16/1025512816.db2.gz PERKDEVKRBYGRC-UHFFFAOYSA-N 1 2 345.761 3.552 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccc(C4CCC4)cc3)[nH+]c12 ZINC000515742463 1025531217 /nfs/dbraw/zinc/53/12/17/1025531217.db2.gz XWPLFFQETAEGND-UHFFFAOYSA-N 1 2 333.435 3.769 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)s1 ZINC000896527198 1025538236 /nfs/dbraw/zinc/53/82/36/1025538236.db2.gz CNWNMNYCEFDBQC-LBPRGKRZSA-N 1 2 339.555 3.917 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)s1 ZINC000896527198 1025538246 /nfs/dbraw/zinc/53/82/46/1025538246.db2.gz CNWNMNYCEFDBQC-LBPRGKRZSA-N 1 2 339.555 3.917 20 0 EHADLO COCC[N@H+](CCOC1CCC1)Cc1sccc1Br ZINC000347125478 1025545658 /nfs/dbraw/zinc/54/56/58/1025545658.db2.gz RMXXOKRQRNDKSF-UHFFFAOYSA-N 1 2 348.306 3.528 20 0 EHADLO COCC[N@@H+](CCOC1CCC1)Cc1sccc1Br ZINC000347125478 1025545668 /nfs/dbraw/zinc/54/56/68/1025545668.db2.gz RMXXOKRQRNDKSF-UHFFFAOYSA-N 1 2 348.306 3.528 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000546017552 1025582699 /nfs/dbraw/zinc/58/26/99/1025582699.db2.gz TWDIZQBSGQWAFF-OAHLLOKOSA-N 1 2 333.439 3.601 20 0 EHADLO CCCCN(CCCC)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442908211 1025588842 /nfs/dbraw/zinc/58/88/42/1025588842.db2.gz LRDNEHGLEAAUSO-UHFFFAOYSA-N 1 2 349.500 3.522 20 0 EHADLO Brc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)o1 ZINC000639375937 1025590631 /nfs/dbraw/zinc/59/06/31/1025590631.db2.gz LQRQFPBFRRVPHA-UHFFFAOYSA-N 1 2 341.274 3.953 20 0 EHADLO Cc1nn2c(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)c(C(C)C)nc2s1 ZINC000442967219 1025626826 /nfs/dbraw/zinc/62/68/26/1025626826.db2.gz OJMYZLPQWSTURL-UKRRQHHQSA-N 1 2 348.516 3.755 20 0 EHADLO Cc1nn2c(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)c(C(C)C)nc2s1 ZINC000442967219 1025626836 /nfs/dbraw/zinc/62/68/36/1025626836.db2.gz OJMYZLPQWSTURL-UKRRQHHQSA-N 1 2 348.516 3.755 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000521746688 1025647596 /nfs/dbraw/zinc/64/75/96/1025647596.db2.gz OTFKCZOFWJGDSN-JFIYKMOQSA-N 1 2 345.487 3.780 20 0 EHADLO Fc1cccc(Cn2cnc(C[NH2+]Cc3cccc4ccccc43)n2)c1 ZINC000436417503 1025698167 /nfs/dbraw/zinc/69/81/67/1025698167.db2.gz WAGVPWABCWYRKA-UHFFFAOYSA-N 1 2 346.409 3.909 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000451227516 1025700977 /nfs/dbraw/zinc/70/09/77/1025700977.db2.gz FEZVKHVFNOZIGK-ZDUSSCGKSA-N 1 2 337.341 3.898 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)cc1F ZINC000530366540 1025710474 /nfs/dbraw/zinc/71/04/74/1025710474.db2.gz LOVVLCKCNGJBME-UHFFFAOYSA-N 1 2 339.389 3.835 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3nccc4[nH]ccc43)no2)c1 ZINC000347246729 1025724731 /nfs/dbraw/zinc/72/47/31/1025724731.db2.gz PRVGZSJZRCMWLF-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO Cc1ccc(C)c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316596 1025726839 /nfs/dbraw/zinc/72/68/39/1025726839.db2.gz ANRKZPURAQWIEH-LJQANCHMSA-N 1 2 333.435 3.751 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000505821174 1025727173 /nfs/dbraw/zinc/72/71/73/1025727173.db2.gz NNJWOESBMSMUTJ-UHFFFAOYSA-N 1 2 331.362 3.916 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000505821174 1025727189 /nfs/dbraw/zinc/72/71/89/1025727189.db2.gz NNJWOESBMSMUTJ-UHFFFAOYSA-N 1 2 331.362 3.916 20 0 EHADLO CCOC(=O)C1(C)CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000474883921 1025759505 /nfs/dbraw/zinc/75/95/05/1025759505.db2.gz RHASPWONQHEHBX-UHFFFAOYSA-N 1 2 331.460 3.606 20 0 EHADLO COc1ccc(OC)c([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000436493134 1025776187 /nfs/dbraw/zinc/77/61/87/1025776187.db2.gz LEKFZRWHSUCMPK-CYBMUJFWSA-N 1 2 343.427 3.907 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCOc2cccc(Cl)c2)c(C)[nH+]1 ZINC000436498541 1025782349 /nfs/dbraw/zinc/78/23/49/1025782349.db2.gz VNWFMHXUGCYUKM-UHFFFAOYSA-N 1 2 333.819 3.861 20 0 EHADLO CCOc1ccccc1CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000521930540 1025793374 /nfs/dbraw/zinc/79/33/74/1025793374.db2.gz RMWMMNIORIRXFY-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO CCOc1ccccc1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000521930540 1025793381 /nfs/dbraw/zinc/79/33/81/1025793381.db2.gz RMWMMNIORIRXFY-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000443212349 1025798068 /nfs/dbraw/zinc/79/80/68/1025798068.db2.gz NNDOYZKHQSHXIM-OALUTQOASA-N 1 2 335.382 3.819 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCSC1 ZINC000425579099 1025816961 /nfs/dbraw/zinc/81/69/61/1025816961.db2.gz WRNRVTGGTSSVTH-CQSZACIVSA-N 1 2 341.480 3.968 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000508416785 1025866080 /nfs/dbraw/zinc/86/60/80/1025866080.db2.gz DZXNVAWMPHQECI-UHFFFAOYSA-N 1 2 346.519 3.942 20 0 EHADLO C[C@@H](C(=O)N[C@@H](c1cccs1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000522877895 1025897093 /nfs/dbraw/zinc/89/70/93/1025897093.db2.gz CKYFZUPDQCXVQG-IFXJQAMLSA-N 1 2 340.492 3.762 20 0 EHADLO C[C@@H](C(=O)N[C@@H](c1cccs1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000522877895 1025897116 /nfs/dbraw/zinc/89/71/16/1025897116.db2.gz CKYFZUPDQCXVQG-IFXJQAMLSA-N 1 2 340.492 3.762 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407543 1025909723 /nfs/dbraw/zinc/90/97/23/1025909723.db2.gz LTUNNHJNJQOPAK-ZJUUUORDSA-N 1 2 329.288 3.608 20 0 EHADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407543 1025909736 /nfs/dbraw/zinc/90/97/36/1025909736.db2.gz LTUNNHJNJQOPAK-ZJUUUORDSA-N 1 2 329.288 3.608 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccc(OCC2CC2)c(F)c1 ZINC000657396109 1025913044 /nfs/dbraw/zinc/91/30/44/1025913044.db2.gz NVCNNAWLQWZGPM-ZDUSSCGKSA-N 1 2 344.434 3.782 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1cccs1 ZINC000277553748 1025915581 /nfs/dbraw/zinc/91/55/81/1025915581.db2.gz MOAGBXGMHLRGQI-UHFFFAOYSA-N 1 2 333.501 3.723 20 0 EHADLO CCCOc1ccc(CNCc2[nH]c(C)c(C)[nH+]2)c(OC(F)F)c1 ZINC000657396887 1025919173 /nfs/dbraw/zinc/91/91/73/1025919173.db2.gz DWALLURPQPSFLV-UHFFFAOYSA-N 1 2 339.386 3.707 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c(OC(F)F)c1 ZINC000657396887 1025919187 /nfs/dbraw/zinc/91/91/87/1025919187.db2.gz DWALLURPQPSFLV-UHFFFAOYSA-N 1 2 339.386 3.707 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000044474274 1025919678 /nfs/dbraw/zinc/91/96/78/1025919678.db2.gz KKNGNKLTNJHTDH-UHFFFAOYSA-N 1 2 344.263 3.687 20 0 EHADLO C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1cc2cccc(F)c2o1 ZINC000530491243 1025932827 /nfs/dbraw/zinc/93/28/27/1025932827.db2.gz WVNVUMMBRANPKY-NSHDSACASA-N 1 2 326.375 3.523 20 0 EHADLO C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1cc2cccc(F)c2o1 ZINC000530491243 1025932838 /nfs/dbraw/zinc/93/28/38/1025932838.db2.gz WVNVUMMBRANPKY-NSHDSACASA-N 1 2 326.375 3.523 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccccc1Cl ZINC000216528831 1025964171 /nfs/dbraw/zinc/96/41/71/1025964171.db2.gz YQULJSCHSJOMDG-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1ccccc1Cl ZINC000216528831 1025964182 /nfs/dbraw/zinc/96/41/82/1025964182.db2.gz YQULJSCHSJOMDG-UHFFFAOYSA-N 1 2 335.831 3.998 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccnn2C(C)C)CC1 ZINC000511104375 1025991656 /nfs/dbraw/zinc/99/16/56/1025991656.db2.gz FCWCJZGXDJGEIP-UHFFFAOYSA-N 1 2 346.906 3.744 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](c3ccccc3C)C3CC3)[nH+]c12 ZINC000522114548 1025994306 /nfs/dbraw/zinc/99/43/06/1025994306.db2.gz TZUJVYAKCBJIPI-FQEVSTJZSA-N 1 2 333.435 3.761 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473659 1026017021 /nfs/dbraw/zinc/01/70/21/1026017021.db2.gz WTZFGPHMTSTUOI-JFIYKMOQSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)[nH+]c1C ZINC000896919257 1026022792 /nfs/dbraw/zinc/02/27/92/1026022792.db2.gz LHYOXQXEUXRCDF-JTQLQIEISA-N 1 2 339.361 3.855 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896919063 1026022946 /nfs/dbraw/zinc/02/29/46/1026022946.db2.gz KOVSDTUZVVANSG-JTQLQIEISA-N 1 2 339.361 3.540 20 0 EHADLO Cn1c[nH+]cc1C[S@](=O)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000443439207 1026044175 /nfs/dbraw/zinc/04/41/75/1026044175.db2.gz GSSJYUDDTVTWCO-VLIAUNLRSA-N 1 2 329.252 3.663 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000896922714 1026044548 /nfs/dbraw/zinc/04/45/48/1026044548.db2.gz BKROVCAEBJYACY-JTQLQIEISA-N 1 2 339.361 3.855 20 0 EHADLO OCC[N@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1 ZINC000103140187 1026066792 /nfs/dbraw/zinc/06/67/92/1026066792.db2.gz AKXQBKGYSNGACH-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO OCC[N@@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1 ZINC000103140187 1026066807 /nfs/dbraw/zinc/06/68/07/1026066807.db2.gz AKXQBKGYSNGACH-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)[nH+]c1C ZINC000895193860 1026089795 /nfs/dbraw/zinc/08/97/95/1026089795.db2.gz VNMSWZQWHSCKMN-INIZCTEOSA-N 1 2 334.427 3.528 20 0 EHADLO CC(C)CCO[C@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825088 1026099264 /nfs/dbraw/zinc/09/92/64/1026099264.db2.gz FYHUWFSLXRCASK-OAHLLOKOSA-N 1 2 340.427 3.970 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3cc4ccccc4o3)[nH+]c12 ZINC000530593268 1026104521 /nfs/dbraw/zinc/10/45/21/1026104521.db2.gz MWNKTYJCHFEFNM-UHFFFAOYSA-N 1 2 333.391 3.590 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)C[C@H](O)c1ccc(C)cc1 ZINC000304292775 1026146949 /nfs/dbraw/zinc/14/69/49/1026146949.db2.gz DEERFTUVCZHPRJ-INIZCTEOSA-N 1 2 343.452 3.662 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)C[C@H](O)c1ccc(C)cc1 ZINC000304292775 1026146960 /nfs/dbraw/zinc/14/69/60/1026146960.db2.gz DEERFTUVCZHPRJ-INIZCTEOSA-N 1 2 343.452 3.662 20 0 EHADLO CC(C)Oc1ccc(Cl)c(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)n1 ZINC000896963363 1026164874 /nfs/dbraw/zinc/16/48/74/1026164874.db2.gz GTMNNUXGFIDWGM-LLVKDONJSA-N 1 2 347.806 3.572 20 0 EHADLO O=C(CCc1ccncc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684864595 1026204444 /nfs/dbraw/zinc/20/44/44/1026204444.db2.gz QOMSARNFPXRUGD-UHFFFAOYSA-N 1 2 346.434 3.853 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1C[C@H]1c1ccccc1 ZINC000342541646 1026208664 /nfs/dbraw/zinc/20/86/64/1026208664.db2.gz IOXIHPSPTCSDEK-MOPGFXCFSA-N 1 2 339.483 3.878 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000342547749 1026239097 /nfs/dbraw/zinc/23/90/97/1026239097.db2.gz MXAVNRNWDDAPCB-UHFFFAOYSA-N 1 2 337.467 3.957 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000544380207 1026246730 /nfs/dbraw/zinc/24/67/30/1026246730.db2.gz AYTGLRHPRDYECI-LJQANCHMSA-N 1 2 341.361 3.643 20 0 EHADLO Cc1cnc(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)s1 ZINC000277600989 1026259827 /nfs/dbraw/zinc/25/98/27/1026259827.db2.gz LCZLHWQWOKSQMC-UHFFFAOYSA-N 1 2 343.500 3.616 20 0 EHADLO Cc1cnc(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)s1 ZINC000277600989 1026259838 /nfs/dbraw/zinc/25/98/38/1026259838.db2.gz LCZLHWQWOKSQMC-UHFFFAOYSA-N 1 2 343.500 3.616 20 0 EHADLO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000277607209 1026282758 /nfs/dbraw/zinc/28/27/58/1026282758.db2.gz FMYDWROGBBFWGX-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000277607209 1026282772 /nfs/dbraw/zinc/28/27/72/1026282772.db2.gz FMYDWROGBBFWGX-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000277607209 1026282794 /nfs/dbraw/zinc/28/27/94/1026282794.db2.gz FMYDWROGBBFWGX-UHFFFAOYSA-N 1 2 326.469 3.837 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)c1ccc(F)cc1)C2 ZINC000475170330 1026291196 /nfs/dbraw/zinc/29/11/96/1026291196.db2.gz CHCNNGVJFTWGLC-ZFWWWQNUSA-N 1 2 343.446 3.697 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)c1ccc(F)cc1)CC2 ZINC000475170330 1026291208 /nfs/dbraw/zinc/29/12/08/1026291208.db2.gz CHCNNGVJFTWGLC-ZFWWWQNUSA-N 1 2 343.446 3.697 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000611606789 1026302039 /nfs/dbraw/zinc/30/20/39/1026302039.db2.gz RZYZDMRZDIBBJI-IBGZPJMESA-N 1 2 342.414 3.805 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000611606789 1026302054 /nfs/dbraw/zinc/30/20/54/1026302054.db2.gz RZYZDMRZDIBBJI-IBGZPJMESA-N 1 2 342.414 3.805 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837908 1026319608 /nfs/dbraw/zinc/31/96/08/1026319608.db2.gz MJQRFAKLZGPPQW-JFIYKMOQSA-N 1 2 330.472 3.986 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837908 1026319618 /nfs/dbraw/zinc/31/96/18/1026319618.db2.gz MJQRFAKLZGPPQW-JFIYKMOQSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847841 1026341788 /nfs/dbraw/zinc/34/17/88/1026341788.db2.gz YTTAPSVQVRYJNH-KXBFYZLASA-N 1 2 336.435 3.784 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847841 1026341803 /nfs/dbraw/zinc/34/18/03/1026341803.db2.gz YTTAPSVQVRYJNH-KXBFYZLASA-N 1 2 336.435 3.784 20 0 EHADLO CC(=O)Nc1ccccc1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000167763258 1026342449 /nfs/dbraw/zinc/34/24/49/1026342449.db2.gz VUERACVKFYHHTP-UHFFFAOYSA-N 1 2 328.803 3.797 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847839 1026343453 /nfs/dbraw/zinc/34/34/53/1026343453.db2.gz YTTAPSVQVRYJNH-HNAYVOBHSA-N 1 2 336.435 3.784 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847839 1026343464 /nfs/dbraw/zinc/34/34/64/1026343464.db2.gz YTTAPSVQVRYJNH-HNAYVOBHSA-N 1 2 336.435 3.784 20 0 EHADLO Brc1cnccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001137693534 1026382806 /nfs/dbraw/zinc/38/28/06/1026382806.db2.gz IVTFZWDGWVDNAX-INIZCTEOSA-N 1 2 332.245 3.966 20 0 EHADLO Brc1cnccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001137693534 1026382818 /nfs/dbraw/zinc/38/28/18/1026382818.db2.gz IVTFZWDGWVDNAX-INIZCTEOSA-N 1 2 332.245 3.966 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000122391893 1026427019 /nfs/dbraw/zinc/42/70/19/1026427019.db2.gz KWTDAKRWNLAUIK-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000122391893 1026427027 /nfs/dbraw/zinc/42/70/27/1026427027.db2.gz KWTDAKRWNLAUIK-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000530963160 1026438618 /nfs/dbraw/zinc/43/86/18/1026438618.db2.gz VAZBRMXITBWJCP-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000530963160 1026438619 /nfs/dbraw/zinc/43/86/19/1026438619.db2.gz VAZBRMXITBWJCP-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)c1 ZINC000475347475 1026504561 /nfs/dbraw/zinc/50/45/61/1026504561.db2.gz RYHAWYAQLGHGJQ-DLBZAZTESA-N 1 2 346.515 3.973 20 0 EHADLO Clc1ccccc1[C@H]1C[N@H+](Cc2cccc3c2NCC3)CCO1 ZINC000469880981 1026530339 /nfs/dbraw/zinc/53/03/39/1026530339.db2.gz LJRZNUCRELWUIM-GOSISDBHSA-N 1 2 328.843 3.882 20 0 EHADLO Clc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CCO1 ZINC000469880981 1026530344 /nfs/dbraw/zinc/53/03/44/1026530344.db2.gz LJRZNUCRELWUIM-GOSISDBHSA-N 1 2 328.843 3.882 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637394 1026533255 /nfs/dbraw/zinc/53/32/55/1026533255.db2.gz SMBSCTZRRUNYHM-ZIAGYGMSSA-N 1 2 326.396 3.724 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1)c1cc2ccccc2o1 ZINC000342637394 1026533263 /nfs/dbraw/zinc/53/32/63/1026533263.db2.gz SMBSCTZRRUNYHM-ZIAGYGMSSA-N 1 2 326.396 3.724 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582554936 1026574284 /nfs/dbraw/zinc/57/42/84/1026574284.db2.gz XZHGRJRJJPHPTI-SJLPKXTDSA-N 1 2 344.842 3.829 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582554936 1026574286 /nfs/dbraw/zinc/57/42/86/1026574286.db2.gz XZHGRJRJJPHPTI-SJLPKXTDSA-N 1 2 344.842 3.829 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000684915573 1026590502 /nfs/dbraw/zinc/59/05/02/1026590502.db2.gz DAXHJZIJTJOYEH-OAHLLOKOSA-N 1 2 335.467 3.745 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000192942762 1026648880 /nfs/dbraw/zinc/64/88/80/1026648880.db2.gz QUFIQCAYSSPUGJ-FQEVSTJZSA-N 1 2 332.382 3.748 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(Cl)ccn1 ZINC000119935877 1026675649 /nfs/dbraw/zinc/67/56/49/1026675649.db2.gz MVIHNBRYMCAORG-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(NCCCn2cc[nH+]c2)n1 ZINC000301108231 1026689177 /nfs/dbraw/zinc/68/91/77/1026689177.db2.gz SDNRFGBTQRRPQY-UHFFFAOYSA-N 1 2 329.473 3.897 20 0 EHADLO O[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000301168319 1026708718 /nfs/dbraw/zinc/70/87/18/1026708718.db2.gz ISFLHFZALIZQEJ-LJQANCHMSA-N 1 2 348.450 3.766 20 0 EHADLO O[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000301168319 1026708730 /nfs/dbraw/zinc/70/87/30/1026708730.db2.gz ISFLHFZALIZQEJ-LJQANCHMSA-N 1 2 348.450 3.766 20 0 EHADLO COc1ncc([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1Cl ZINC000342686953 1026721137 /nfs/dbraw/zinc/72/11/37/1026721137.db2.gz HJNMCCVHVYPSEC-LLVKDONJSA-N 1 2 330.819 3.779 20 0 EHADLO COc1ncc([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1Cl ZINC000342686953 1026721150 /nfs/dbraw/zinc/72/11/50/1026721150.db2.gz HJNMCCVHVYPSEC-LLVKDONJSA-N 1 2 330.819 3.779 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665646534 1026723193 /nfs/dbraw/zinc/72/31/93/1026723193.db2.gz UWSMIZRZGAWGGI-RDJZCZTQSA-N 1 2 331.847 3.769 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC[C@@H]1C ZINC000122832213 1026785719 /nfs/dbraw/zinc/78/57/19/1026785719.db2.gz ICKFEMJZTWCHJX-RYUDHWBXSA-N 1 2 343.452 3.723 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC[C@@H]1C ZINC000122832213 1026785727 /nfs/dbraw/zinc/78/57/27/1026785727.db2.gz ICKFEMJZTWCHJX-RYUDHWBXSA-N 1 2 343.452 3.723 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)Nc1ccccc1Cl ZINC000531349758 1026835940 /nfs/dbraw/zinc/83/59/40/1026835940.db2.gz YLLWEOBPDIAYGR-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO c1ccc(-n2nc(C[NH2+][C@@H]3CCCc4cccnc43)c3c2CCC3)cc1 ZINC000684953386 1026836422 /nfs/dbraw/zinc/83/64/22/1026836422.db2.gz LZYKVVNALDFESM-LJQANCHMSA-N 1 2 344.462 3.923 20 0 EHADLO CC(C)COc1cncc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000301571516 1026858293 /nfs/dbraw/zinc/85/82/93/1026858293.db2.gz OFJFGQSBPQKWEC-UHFFFAOYSA-N 1 2 341.459 3.509 20 0 EHADLO Cc1cc(N(C)Cc2nccn2Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC000301662331 1026891507 /nfs/dbraw/zinc/89/15/07/1026891507.db2.gz NBQDSALOAUPUHP-UHFFFAOYSA-N 1 2 335.455 3.790 20 0 EHADLO Cc1nc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(C)c(C)[nH+]1 ZINC000301668381 1026894226 /nfs/dbraw/zinc/89/42/26/1026894226.db2.gz DDYKRJIQAVKGII-INIZCTEOSA-N 1 2 335.810 3.772 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000666001744 1026904734 /nfs/dbraw/zinc/90/47/34/1026904734.db2.gz XCZORNWCCFLLHK-XOYOTBSWSA-N 1 2 337.467 3.918 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(F)c2)c1C ZINC000123078092 1026949572 /nfs/dbraw/zinc/94/95/72/1026949572.db2.gz KFOYUSNCRXUYPO-OAHLLOKOSA-N 1 2 346.446 3.766 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000123078092 1026949575 /nfs/dbraw/zinc/94/95/75/1026949575.db2.gz KFOYUSNCRXUYPO-OAHLLOKOSA-N 1 2 346.446 3.766 20 0 EHADLO CN(Cc1ccc(Cl)s1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301852110 1026964942 /nfs/dbraw/zinc/96/49/42/1026964942.db2.gz XKIMPGGHGQHPFM-UHFFFAOYSA-N 1 2 335.864 3.933 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301862343 1026968723 /nfs/dbraw/zinc/96/87/23/1026968723.db2.gz DZHHMMHRCMOCJU-HOCLYGCPSA-N 1 2 335.455 3.964 20 0 EHADLO Nc1nc(NC[C@H](O)c2ccc(Cl)cc2Cl)[nH+]c2ccccc12 ZINC000301862105 1026968788 /nfs/dbraw/zinc/96/87/88/1026968788.db2.gz CNMDHXRADRYLRL-AWEZNQCLSA-N 1 2 349.221 3.664 20 0 EHADLO Nc1nc(NCc2cccc(Br)c2)[nH+]c2ccccc12 ZINC000301875829 1026973882 /nfs/dbraw/zinc/97/38/82/1026973882.db2.gz KDHOJLFEJODGDE-UHFFFAOYSA-N 1 2 329.201 3.587 20 0 EHADLO COc1ccccc1CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301884792 1026978791 /nfs/dbraw/zinc/97/87/91/1026978791.db2.gz OEYBPAHQMIPGQQ-UHFFFAOYSA-N 1 2 348.450 3.680 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000301912233 1026992171 /nfs/dbraw/zinc/99/21/71/1026992171.db2.gz BYDQXZZAMMCVTA-BTTYYORXSA-N 1 2 328.412 3.779 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000277808838 1027001878 /nfs/dbraw/zinc/00/18/78/1027001878.db2.gz YDUZGXIPJLZTCM-FATZIPQQSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000277808838 1027001882 /nfs/dbraw/zinc/00/18/82/1027001882.db2.gz YDUZGXIPJLZTCM-FATZIPQQSA-N 1 2 335.444 3.737 20 0 EHADLO CCc1nsc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972989 1027011525 /nfs/dbraw/zinc/01/15/25/1027011525.db2.gz JALUJAULGMOHDH-OCCSQVGLSA-N 1 2 340.855 3.750 20 0 EHADLO CCc1nsc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000301972989 1027011532 /nfs/dbraw/zinc/01/15/32/1027011532.db2.gz JALUJAULGMOHDH-OCCSQVGLSA-N 1 2 340.855 3.750 20 0 EHADLO Cc1nc2c(s1)[C@@H](Nc1[nH+]cnc3c1cnn3C(C)(C)C)CCC2 ZINC000302017931 1027024727 /nfs/dbraw/zinc/02/47/27/1027024727.db2.gz GLTMCRRNFYTEMX-ZDUSSCGKSA-N 1 2 342.472 3.836 20 0 EHADLO Fc1cccc2c1OCCC[C@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000302020699 1027025828 /nfs/dbraw/zinc/02/58/28/1027025828.db2.gz DRIYUFLOSFRSOT-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1cccc2c1OCCC[C@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000302020699 1027025832 /nfs/dbraw/zinc/02/58/32/1027025832.db2.gz DRIYUFLOSFRSOT-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000302024786 1027027129 /nfs/dbraw/zinc/02/71/29/1027027129.db2.gz HEZBSGXJDAWRGN-MRXNPFEDSA-N 1 2 342.418 3.932 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302024786 1027027139 /nfs/dbraw/zinc/02/71/39/1027027139.db2.gz HEZBSGXJDAWRGN-MRXNPFEDSA-N 1 2 342.418 3.932 20 0 EHADLO COc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1OC(F)F ZINC000302069406 1027041787 /nfs/dbraw/zinc/04/17/87/1027041787.db2.gz XMBYTROKHHNXOA-UHFFFAOYSA-N 1 2 349.381 3.886 20 0 EHADLO COc1ccc([C@H]2C[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1F ZINC000548757744 1027047289 /nfs/dbraw/zinc/04/72/89/1027047289.db2.gz IZHHMZVHFFRHJJ-SHTZXODSSA-N 1 2 342.418 3.583 20 0 EHADLO COc1ccc([C@H]2C[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1F ZINC000548757744 1027047295 /nfs/dbraw/zinc/04/72/95/1027047295.db2.gz IZHHMZVHFFRHJJ-SHTZXODSSA-N 1 2 342.418 3.583 20 0 EHADLO CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(NC2CC2)[nH+]cn1 ZINC000665696257 1027052076 /nfs/dbraw/zinc/05/20/76/1027052076.db2.gz CABVWFFUUVACAN-UZLBHIALSA-N 1 2 338.455 3.655 20 0 EHADLO CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(NC2CC2)nc[nH+]1 ZINC000665696257 1027052082 /nfs/dbraw/zinc/05/20/82/1027052082.db2.gz CABVWFFUUVACAN-UZLBHIALSA-N 1 2 338.455 3.655 20 0 EHADLO Cc1nc(NCc2cccc(-c3cnn(C)c3)c2)c2c([nH+]1)CCCC2 ZINC000302113405 1027058825 /nfs/dbraw/zinc/05/88/25/1027058825.db2.gz VFEDUGYKHUKLFD-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO C[C@@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000531581212 1027068457 /nfs/dbraw/zinc/06/84/57/1027068457.db2.gz YPSGJIHJGCJVJJ-FOSZKXBFSA-N 1 2 341.430 3.626 20 0 EHADLO Fc1ccc(-c2nnc(CNc3cc[nH+]c4ccsc43)[nH]2)cc1 ZINC000075049915 1027083062 /nfs/dbraw/zinc/08/30/62/1027083062.db2.gz CKFOKOKMQMEVMQ-UHFFFAOYSA-N 1 2 325.372 3.833 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534120 1027145130 /nfs/dbraw/zinc/14/51/30/1027145130.db2.gz JZABCVBGOQFKFD-QWHCGFSZSA-N 1 2 349.887 3.950 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075533371 1027146526 /nfs/dbraw/zinc/14/65/26/1027146526.db2.gz FJLFDWLSNKAGAJ-QGZVFWFLSA-N 1 2 340.471 3.664 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC12CCCCC2 ZINC000531669216 1027148476 /nfs/dbraw/zinc/14/84/76/1027148476.db2.gz FNGJIGGAZLLERW-MRXNPFEDSA-N 1 2 339.439 3.871 20 0 EHADLO c1c(C2CCCC2)nc2sc(NCCCNc3cccc[nH+]3)nn12 ZINC000302465433 1027157922 /nfs/dbraw/zinc/15/79/22/1027157922.db2.gz SKYNNZHDYJMQBX-UHFFFAOYSA-N 1 2 342.472 3.758 20 0 EHADLO Cc1cc2occ(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2cc1C ZINC000075553522 1027168254 /nfs/dbraw/zinc/16/82/54/1027168254.db2.gz QGEGVEIHWQDSMX-OAHLLOKOSA-N 1 2 337.423 3.721 20 0 EHADLO CSCc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000302509572 1027171734 /nfs/dbraw/zinc/17/17/34/1027171734.db2.gz SCMJAZCCSYOLCB-UHFFFAOYSA-N 1 2 328.485 3.942 20 0 EHADLO CSCc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000302509572 1027171753 /nfs/dbraw/zinc/17/17/53/1027171753.db2.gz SCMJAZCCSYOLCB-UHFFFAOYSA-N 1 2 328.485 3.942 20 0 EHADLO CC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000075579788 1027174658 /nfs/dbraw/zinc/17/46/58/1027174658.db2.gz LVWBAVYUNGSGPL-GOSISDBHSA-N 1 2 340.471 3.521 20 0 EHADLO COc1cccc2c(NCc3ccc([S@@](C)=O)cc3)cc[nH+]c12 ZINC000302522731 1027177608 /nfs/dbraw/zinc/17/76/08/1027177608.db2.gz JFKGGGDJTKILSL-HSZRJFAPSA-N 1 2 326.421 3.593 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2c(F)cc(F)c(F)c2F)o1 ZINC000430036932 1027200271 /nfs/dbraw/zinc/20/02/71/1027200271.db2.gz SVBPHBXIGXWQFO-UHFFFAOYSA-N 1 2 339.292 3.824 20 0 EHADLO CCOCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567217 1027211995 /nfs/dbraw/zinc/21/19/95/1027211995.db2.gz RGIFKABOBJDKAW-UHFFFAOYSA-N 1 2 327.428 3.642 20 0 EHADLO O=C(CCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076001765 1027217804 /nfs/dbraw/zinc/21/78/04/1027217804.db2.gz WCSGSPUVXWLBEA-QGZVFWFLSA-N 1 2 339.439 3.559 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076074755 1027235819 /nfs/dbraw/zinc/23/58/19/1027235819.db2.gz AXAJUDVTYSMYDA-UKRRQHHQSA-N 1 2 344.484 3.782 20 0 EHADLO CC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302686954 1027237916 /nfs/dbraw/zinc/23/79/16/1027237916.db2.gz APZQDOKJPTUFRG-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302686954 1027237927 /nfs/dbraw/zinc/23/79/27/1027237927.db2.gz APZQDOKJPTUFRG-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO OCc1cc2ccccc2nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302690778 1027237994 /nfs/dbraw/zinc/23/79/94/1027237994.db2.gz VDHDGVZACAQGBM-UHFFFAOYSA-N 1 2 330.391 3.525 20 0 EHADLO Fc1cccc2c(NCc3cc[nH+]c(N4CCCCC4)c3)ncnc12 ZINC000302708763 1027249703 /nfs/dbraw/zinc/24/97/03/1027249703.db2.gz WOSLMHPQCILVAP-UHFFFAOYSA-N 1 2 337.402 3.766 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@@H](CCC)c2nnc3ccccn32)o1 ZINC000428348898 1027252886 /nfs/dbraw/zinc/25/28/86/1027252886.db2.gz QEJGQBGQFJGPAN-AWEZNQCLSA-N 1 2 327.432 3.609 20 0 EHADLO COc1cccc(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126999640 1027261395 /nfs/dbraw/zinc/26/13/95/1027261395.db2.gz CSLXMUCBOLPMNB-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO COc1cccc(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126999640 1027261408 /nfs/dbraw/zinc/26/14/08/1027261408.db2.gz CSLXMUCBOLPMNB-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000273139746 1027284009 /nfs/dbraw/zinc/28/40/09/1027284009.db2.gz DRKWAIMCSJJUQA-QWHCGFSZSA-N 1 2 349.377 3.928 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCSCC3)nc[nH+]2)C2CC2)cc1 ZINC000302804157 1027302688 /nfs/dbraw/zinc/30/26/88/1027302688.db2.gz VTEOSDIRNSKWMQ-GOSISDBHSA-N 1 2 326.469 3.593 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C2CC2)cc1 ZINC000302804157 1027302705 /nfs/dbraw/zinc/30/27/05/1027302705.db2.gz VTEOSDIRNSKWMQ-GOSISDBHSA-N 1 2 326.469 3.593 20 0 EHADLO Clc1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302820361 1027309883 /nfs/dbraw/zinc/30/98/83/1027309883.db2.gz CXYOWRRNUPKFML-CRAIPNDOSA-N 1 2 344.846 3.672 20 0 EHADLO Clc1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302820361 1027309901 /nfs/dbraw/zinc/30/99/01/1027309901.db2.gz CXYOWRRNUPKFML-CRAIPNDOSA-N 1 2 344.846 3.672 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000349938025 1027323447 /nfs/dbraw/zinc/32/34/47/1027323447.db2.gz SUPZBYIPADQAMG-UHFFFAOYSA-N 1 2 347.378 3.550 20 0 EHADLO c1ccc2c(c1)cccc2OCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302875238 1027341293 /nfs/dbraw/zinc/34/12/93/1027341293.db2.gz DXKHVNHWAVJVTC-UHFFFAOYSA-N 1 2 334.423 3.721 20 0 EHADLO c1ccc2c(c1)cccc2OCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302875238 1027341311 /nfs/dbraw/zinc/34/13/11/1027341311.db2.gz DXKHVNHWAVJVTC-UHFFFAOYSA-N 1 2 334.423 3.721 20 0 EHADLO Cc1cc(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)n(C)n1 ZINC000342811513 1027350421 /nfs/dbraw/zinc/35/04/21/1027350421.db2.gz UXYCPTJDGAOJEW-HXUWFJFHSA-N 1 2 332.407 3.749 20 0 EHADLO CCCc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128097546 1027395276 /nfs/dbraw/zinc/39/52/76/1027395276.db2.gz HPCLOACEGDMQDU-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(Cl)s1 ZINC000046168780 1027402733 /nfs/dbraw/zinc/40/27/33/1027402733.db2.gz RQFPKRCFUZOCEN-UHFFFAOYSA-N 1 2 342.917 3.944 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(Cl)s1 ZINC000046168780 1027402752 /nfs/dbraw/zinc/40/27/52/1027402752.db2.gz RQFPKRCFUZOCEN-UHFFFAOYSA-N 1 2 342.917 3.944 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cnccc2C)CC1 ZINC000342823151 1027453257 /nfs/dbraw/zinc/45/32/57/1027453257.db2.gz VFXAGAOWXVNLRA-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C ZINC000128799151 1027478135 /nfs/dbraw/zinc/47/81/35/1027478135.db2.gz FGYIPKDZHHVIPC-MRXNPFEDSA-N 1 2 328.481 3.884 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000128797058 1027479673 /nfs/dbraw/zinc/47/96/73/1027479673.db2.gz APJQKSPNPFVKBO-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO CCCn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000128797058 1027479678 /nfs/dbraw/zinc/47/96/78/1027479678.db2.gz APJQKSPNPFVKBO-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536574357 1027485003 /nfs/dbraw/zinc/48/50/03/1027485003.db2.gz GPZNGSBBUKRZJZ-KGLIPLIRSA-N 1 2 334.341 3.881 20 0 EHADLO COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575133 1027490630 /nfs/dbraw/zinc/49/06/30/1027490630.db2.gz DNBOFKFSSHQVGE-UHFFFAOYSA-N 1 2 325.195 3.688 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574718 1027501012 /nfs/dbraw/zinc/50/10/12/1027501012.db2.gz DFYBPKBRBIGMEQ-UHFFFAOYSA-N 1 2 345.468 3.727 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Sc1ccccc1 ZINC000428355166 1027503553 /nfs/dbraw/zinc/50/35/53/1027503553.db2.gz DNLRZLKRIBJTGK-HNNXBMFYSA-N 1 2 349.459 3.779 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657587220 1027535975 /nfs/dbraw/zinc/53/59/75/1027535975.db2.gz UHWWPMJJAOLATG-UHFFFAOYSA-N 1 2 331.387 3.674 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)s1 ZINC000273675796 1027554465 /nfs/dbraw/zinc/55/44/65/1027554465.db2.gz JIASIPAJWMUHIN-VXGBXAGGSA-N 1 2 332.473 3.648 20 0 EHADLO CC[N@@H+]1CCO[C@H](c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)C1 ZINC000420496503 1027566811 /nfs/dbraw/zinc/56/68/11/1027566811.db2.gz WCNYATHDYHDRSK-AWEZNQCLSA-N 1 2 347.802 3.838 20 0 EHADLO CC[N@H+]1CCO[C@H](c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)C1 ZINC000420496503 1027566819 /nfs/dbraw/zinc/56/68/19/1027566819.db2.gz WCNYATHDYHDRSK-AWEZNQCLSA-N 1 2 347.802 3.838 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C2(CCOC)CCC2)no1)c1ccccc1 ZINC000420514696 1027586728 /nfs/dbraw/zinc/58/67/28/1027586728.db2.gz NLTOEPFOQNLZBW-MRXNPFEDSA-N 1 2 329.444 3.569 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C2(CCOC)CCC2)no1)c1ccccc1 ZINC000420514696 1027586743 /nfs/dbraw/zinc/58/67/43/1027586743.db2.gz NLTOEPFOQNLZBW-MRXNPFEDSA-N 1 2 329.444 3.569 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2nc([C@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505810 1027609417 /nfs/dbraw/zinc/60/94/17/1027609417.db2.gz QEOVRXOZXKEZOD-UONOGXRCSA-N 1 2 339.798 3.564 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2nc([C@H](F)c3ccc(Cl)cc3)no2)C1 ZINC000420505810 1027609423 /nfs/dbraw/zinc/60/94/23/1027609423.db2.gz QEOVRXOZXKEZOD-UONOGXRCSA-N 1 2 339.798 3.564 20 0 EHADLO Cc1cc2cc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000129880513 1027612235 /nfs/dbraw/zinc/61/22/35/1027612235.db2.gz ZUTAMOOTEYTPJI-FZKQIMNGSA-N 1 2 337.427 3.788 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1)c1ccccc1 ZINC000273773408 1027612971 /nfs/dbraw/zinc/61/29/71/1027612971.db2.gz ZWLVJHAZFPWCGX-IOASZLSFSA-N 1 2 346.500 3.543 20 0 EHADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)cc(Cl)c1O ZINC000459327370 1027623267 /nfs/dbraw/zinc/62/32/67/1027623267.db2.gz NXBPQMXPAIKOLP-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc(Cl)c1O ZINC000459327370 1027623280 /nfs/dbraw/zinc/62/32/80/1027623280.db2.gz NXBPQMXPAIKOLP-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CSCC[C@H]([NH2+]Cc1ccc(Cl)o1)c1nnc2ccccn21 ZINC000078302947 1027631703 /nfs/dbraw/zinc/63/17/03/1027631703.db2.gz ADJZBDXARSPIOX-LBPRGKRZSA-N 1 2 336.848 3.560 20 0 EHADLO Cc1cc(CNC(=O)N[C@](C)(Cc2ccccc2)C2CC2)cc(C)[nH+]1 ZINC000422198804 1027634749 /nfs/dbraw/zinc/63/47/49/1027634749.db2.gz CUUXUEKAZHBLRX-OAQYLSRUSA-N 1 2 337.467 3.909 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)cs1 ZINC000130450160 1027669277 /nfs/dbraw/zinc/66/92/77/1027669277.db2.gz TXZTZOFVXWIVDS-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@](C)(c4ccccc4)C3)[nH+]c12 ZINC000261407462 1027670014 /nfs/dbraw/zinc/67/00/14/1027670014.db2.gz HHVWCQXZFDUIKQ-QFIPXVFZSA-N 1 2 347.462 3.766 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC2(CCC2)C1 ZINC000648404539 1027676537 /nfs/dbraw/zinc/67/65/37/1027676537.db2.gz GWYPAZYLWJNDRL-UHFFFAOYSA-N 1 2 329.831 3.722 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(C)c2)s1 ZINC000414466524 1027684243 /nfs/dbraw/zinc/68/42/43/1027684243.db2.gz VVBHPDRUXXFPTI-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c(-c2ccccc2Cl)n1 ZINC000414469138 1027709451 /nfs/dbraw/zinc/70/94/51/1027709451.db2.gz FCVDTRQDMVKOGI-SFHVURJKSA-N 1 2 345.874 3.741 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(-c2ccccc2Cl)n1 ZINC000414469138 1027709467 /nfs/dbraw/zinc/70/94/67/1027709467.db2.gz FCVDTRQDMVKOGI-SFHVURJKSA-N 1 2 345.874 3.741 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)c1C ZINC000342862752 1027714082 /nfs/dbraw/zinc/71/40/82/1027714082.db2.gz ZVZLNPQMUXKVPO-UHFFFAOYSA-N 1 2 348.874 3.719 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c1C ZINC000342862752 1027714090 /nfs/dbraw/zinc/71/40/90/1027714090.db2.gz ZVZLNPQMUXKVPO-UHFFFAOYSA-N 1 2 348.874 3.719 20 0 EHADLO COc1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)ccn1 ZINC000342860686 1027717211 /nfs/dbraw/zinc/71/72/11/1027717211.db2.gz SLSKRODNKVXYHR-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccnn2[C@H](C)CC(C)C)c[nH+]1 ZINC000455140102 1027739860 /nfs/dbraw/zinc/73/98/60/1027739860.db2.gz KKTQUNWBKLKYSB-OAHLLOKOSA-N 1 2 329.448 3.824 20 0 EHADLO COc1ccc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000342872983 1027784329 /nfs/dbraw/zinc/78/43/29/1027784329.db2.gz QLCWGJCAJIMTLQ-YWZLYKJASA-N 1 2 349.434 3.768 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000503452826 1027799966 /nfs/dbraw/zinc/79/99/66/1027799966.db2.gz NCYWFZMJKMVGLC-ZWKOTPCHSA-N 1 2 344.503 3.696 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](CC(F)F)c2ccccc2)cc(C)[nH+]1 ZINC000420858952 1027802584 /nfs/dbraw/zinc/80/25/84/1027802584.db2.gz KGMWYLMMDSAMBB-MRXNPFEDSA-N 1 2 333.382 3.894 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCSc2ccc(Cl)cc21 ZINC000079721382 1027817426 /nfs/dbraw/zinc/81/74/26/1027817426.db2.gz KZBZBKXIVYKGTK-UHFFFAOYSA-N 1 2 335.860 3.846 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)n1 ZINC000131868304 1027831329 /nfs/dbraw/zinc/83/13/29/1027831329.db2.gz ZSNHHMPMDVCATN-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)n1 ZINC000131868498 1027833962 /nfs/dbraw/zinc/83/39/62/1027833962.db2.gz ZSNHHMPMDVCATN-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1nc(C)c(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000342879593 1027853146 /nfs/dbraw/zinc/85/31/46/1027853146.db2.gz DHSIIXITBFXMPI-AWEZNQCLSA-N 1 2 326.425 3.644 20 0 EHADLO Cc1cc(CNC(=O)NCC(C)(C)c2cccc(F)c2)cc(C)[nH+]1 ZINC000420918479 1027865217 /nfs/dbraw/zinc/86/52/17/1027865217.db2.gz PRNGZTVHNMSLDZ-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO Cc1c2cc(F)ccc2oc1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000536618403 1027933023 /nfs/dbraw/zinc/93/30/23/1027933023.db2.gz NFFJIZCNYKQDQL-UHFFFAOYSA-N 1 2 327.359 3.636 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+][C@]3(CO)CCc4ccccc43)o2)cc1 ZINC000132530074 1027935495 /nfs/dbraw/zinc/93/54/95/1027935495.db2.gz JTYIRYVDHWNXRE-NRFANRHFSA-N 1 2 334.419 3.574 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCC(F)(F)F ZINC000533493071 1027954170 /nfs/dbraw/zinc/95/41/70/1027954170.db2.gz WBPJPWFKKLUMND-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCC(F)(F)F ZINC000533493071 1027954191 /nfs/dbraw/zinc/95/41/91/1027954191.db2.gz WBPJPWFKKLUMND-VIFPVBQESA-N 1 2 342.283 3.917 20 0 EHADLO Cc1cc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)cc(F)c1F ZINC001143596842 1027967336 /nfs/dbraw/zinc/96/73/36/1027967336.db2.gz DPTSENWPFJADCW-UHFFFAOYSA-N 1 2 340.414 3.572 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533484957 1027974826 /nfs/dbraw/zinc/97/48/26/1027974826.db2.gz NMXHRXMSPOWCTL-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484957 1027974844 /nfs/dbraw/zinc/97/48/44/1027974844.db2.gz NMXHRXMSPOWCTL-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000523170527 1028003896 /nfs/dbraw/zinc/00/38/96/1028003896.db2.gz RUCUGPQLIFEMNP-QZTJIDSGSA-N 1 2 340.471 3.559 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120360407 1028005036 /nfs/dbraw/zinc/00/50/36/1028005036.db2.gz AIGBKPQBBYCCFP-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)c1F ZINC000657673007 1028005364 /nfs/dbraw/zinc/00/53/64/1028005364.db2.gz MGCUZGIIIFEQQX-UHFFFAOYSA-N 1 2 348.418 3.563 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[C@@H]2C)c(C)c1 ZINC000533526713 1028018081 /nfs/dbraw/zinc/01/80/81/1028018081.db2.gz XGJVBNDWCYLDOX-SNRMKQJTSA-N 1 2 340.471 3.729 20 0 EHADLO C[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)Cn1cc[nH+]c1 ZINC000153498234 1028022932 /nfs/dbraw/zinc/02/29/32/1028022932.db2.gz SQIKQXKVPDYNCQ-INIZCTEOSA-N 1 2 337.423 3.528 20 0 EHADLO CCOC(=O)c1sc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1C ZINC000421049326 1028034742 /nfs/dbraw/zinc/03/47/42/1028034742.db2.gz AAMUMDXJDOMECT-UHFFFAOYSA-N 1 2 347.440 3.567 20 0 EHADLO Cc1scc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1C ZINC001271746611 1028049181 /nfs/dbraw/zinc/04/91/81/1028049181.db2.gz QMNJEPJMGKGOKK-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO Cc1scc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1C ZINC001271746611 1028049198 /nfs/dbraw/zinc/04/91/98/1028049198.db2.gz QMNJEPJMGKGOKK-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nncn2-c2ccccc2)cc1 ZINC000444589513 1028050248 /nfs/dbraw/zinc/05/02/48/1028050248.db2.gz BIZHGHIROZZLIT-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nncn2-c2ccccc2)cc1 ZINC000444589513 1028050265 /nfs/dbraw/zinc/05/02/65/1028050265.db2.gz BIZHGHIROZZLIT-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO CCN(Cc1cccc(NCc2c[nH+]cn2C)c1)C(=O)OC(C)(C)C ZINC000120540934 1028062873 /nfs/dbraw/zinc/06/28/73/1028062873.db2.gz SSTMEWLIWLWZLZ-UHFFFAOYSA-N 1 2 344.459 3.789 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3nccs3)c21 ZINC000134011538 1028085406 /nfs/dbraw/zinc/08/54/06/1028085406.db2.gz OZDAJHQXSAYRIK-UHFFFAOYSA-N 1 2 345.468 3.731 20 0 EHADLO CCC(=O)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000421186164 1028160026 /nfs/dbraw/zinc/16/00/26/1028160026.db2.gz RUUBAHOVHXLIMS-UHFFFAOYSA-N 1 2 339.435 3.691 20 0 EHADLO COc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Br)cn1 ZINC001213086073 1028165860 /nfs/dbraw/zinc/16/58/60/1028165860.db2.gz GAGSESHEDPFLCH-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO Cc1noc(C)c1CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698560 1028172965 /nfs/dbraw/zinc/17/29/65/1028172965.db2.gz MEURQVPFZPHJBS-KPZWWZAWSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C)c1CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698560 1028172972 /nfs/dbraw/zinc/17/29/72/1028172972.db2.gz MEURQVPFZPHJBS-KPZWWZAWSA-N 1 2 334.847 3.949 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)n1 ZINC000053639414 1028190732 /nfs/dbraw/zinc/19/07/32/1028190732.db2.gz MDWHVVBMFURRON-UHFFFAOYSA-N 1 2 342.374 3.552 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712647 1028191984 /nfs/dbraw/zinc/19/19/84/1028191984.db2.gz ZSCZLHUXAUUVPQ-VXGBXAGGSA-N 1 2 331.386 3.514 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712647 1028191995 /nfs/dbraw/zinc/19/19/95/1028191995.db2.gz ZSCZLHUXAUUVPQ-VXGBXAGGSA-N 1 2 331.386 3.514 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548778989 1028194325 /nfs/dbraw/zinc/19/43/25/1028194325.db2.gz NSSXFLXUKRBRFW-KRWDZBQOSA-N 1 2 341.459 3.759 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ccc(S(=O)(=O)C(C)C)cc2)ccc1F ZINC000444731661 1028196196 /nfs/dbraw/zinc/19/61/96/1028196196.db2.gz JHKGYGAKZPYZPD-UHFFFAOYSA-N 1 2 349.471 3.948 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ccc(S(=O)(=O)C(C)C)cc2)ccc1F ZINC000444731661 1028196212 /nfs/dbraw/zinc/19/62/12/1028196212.db2.gz JHKGYGAKZPYZPD-UHFFFAOYSA-N 1 2 349.471 3.948 20 0 EHADLO CC(C)N(C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444718054 1028207203 /nfs/dbraw/zinc/20/72/03/1028207203.db2.gz UJMXNXJBFUBTJH-UHFFFAOYSA-N 1 2 332.394 3.838 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444718054 1028207219 /nfs/dbraw/zinc/20/72/19/1028207219.db2.gz UJMXNXJBFUBTJH-UHFFFAOYSA-N 1 2 332.394 3.838 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000582903291 1028215787 /nfs/dbraw/zinc/21/57/87/1028215787.db2.gz VMDJKEPIEWYULX-UHFFFAOYSA-N 1 2 330.863 3.726 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000444723666 1028217866 /nfs/dbraw/zinc/21/78/66/1028217866.db2.gz ACEHXZMMYXOFOS-MFKMUULPSA-N 1 2 336.423 3.576 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000444723666 1028217885 /nfs/dbraw/zinc/21/78/85/1028217885.db2.gz ACEHXZMMYXOFOS-MFKMUULPSA-N 1 2 336.423 3.576 20 0 EHADLO [NH3+][C@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)c1c(F)cccc1F ZINC000423139013 1028223778 /nfs/dbraw/zinc/22/37/78/1028223778.db2.gz UVPHWRHLXZDUBH-BEFAXECRSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2cscn2)nc[nH+]1)c1cscn1 ZINC000664262634 1028224224 /nfs/dbraw/zinc/22/42/24/1028224224.db2.gz DSQZQOTUNLZUHE-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2cscn2)[nH+]cn1)c1cscn1 ZINC000664262634 1028224240 /nfs/dbraw/zinc/22/42/40/1028224240.db2.gz DSQZQOTUNLZUHE-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO CCCCn1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)n1 ZINC000455495553 1028226913 /nfs/dbraw/zinc/22/69/13/1028226913.db2.gz OJWOFIYFSRGGRH-UHFFFAOYSA-N 1 2 329.448 3.634 20 0 EHADLO CCOc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1F ZINC000455480545 1028241666 /nfs/dbraw/zinc/24/16/66/1028241666.db2.gz OEZWXDQLWBDAJR-UHFFFAOYSA-N 1 2 331.391 3.866 20 0 EHADLO CCOc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1OC ZINC000455483695 1028249366 /nfs/dbraw/zinc/24/93/66/1028249366.db2.gz QABYTIURQVZQFB-UHFFFAOYSA-N 1 2 343.427 3.736 20 0 EHADLO COCc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1F ZINC000455485295 1028254265 /nfs/dbraw/zinc/25/42/65/1028254265.db2.gz QYIONHPFFBISDJ-UHFFFAOYSA-N 1 2 331.391 3.614 20 0 EHADLO CCCCOc1ccccc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414510900 1028276828 /nfs/dbraw/zinc/27/68/28/1028276828.db2.gz WCXZLLZDRDFQLA-UHFFFAOYSA-N 1 2 347.480 3.559 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000161762934 1028289430 /nfs/dbraw/zinc/28/94/30/1028289430.db2.gz SOAYURAVMJAGPY-LLVKDONJSA-N 1 2 343.452 3.500 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000161762934 1028289449 /nfs/dbraw/zinc/28/94/49/1028289449.db2.gz SOAYURAVMJAGPY-LLVKDONJSA-N 1 2 343.452 3.500 20 0 EHADLO Cc1[nH+]ccn1CCCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295216 /nfs/dbraw/zinc/29/52/16/1028295216.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 1 2 340.515 3.568 20 0 EHADLO Cc1[nH+]ccn1CCCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295233 /nfs/dbraw/zinc/29/52/33/1028295233.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 1 2 340.515 3.568 20 0 EHADLO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[C@@H]1c1ccccc1 ZINC000423232167 1028298503 /nfs/dbraw/zinc/29/85/03/1028298503.db2.gz HQWUCPBXMMLVFW-FRIZHTMISA-N 1 2 344.405 3.617 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)nn1C ZINC000421331937 1028301112 /nfs/dbraw/zinc/30/11/12/1028301112.db2.gz KMLMJPJVPMCGLX-VIFPVBQESA-N 1 2 329.778 3.834 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)nn1 ZINC000421359421 1028308693 /nfs/dbraw/zinc/30/86/93/1028308693.db2.gz FYINIGPMXMVLQZ-CQSZACIVSA-N 1 2 338.377 3.740 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)nn1 ZINC000421359421 1028308708 /nfs/dbraw/zinc/30/87/08/1028308708.db2.gz FYINIGPMXMVLQZ-CQSZACIVSA-N 1 2 338.377 3.740 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)nn1C ZINC000421380620 1028341785 /nfs/dbraw/zinc/34/17/85/1028341785.db2.gz KIOFCJXSMMKHRY-CQSZACIVSA-N 1 2 340.254 3.689 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)nn1C ZINC000421380620 1028341803 /nfs/dbraw/zinc/34/18/03/1028341803.db2.gz KIOFCJXSMMKHRY-CQSZACIVSA-N 1 2 340.254 3.689 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)C1CCCCC1 ZINC000523449468 1028348167 /nfs/dbraw/zinc/34/81/67/1028348167.db2.gz KCAPSLMLWFDQLM-HNNXBMFYSA-N 1 2 332.463 3.926 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)C1CCCCC1 ZINC000523449468 1028348178 /nfs/dbraw/zinc/34/81/78/1028348178.db2.gz KCAPSLMLWFDQLM-HNNXBMFYSA-N 1 2 332.463 3.926 20 0 EHADLO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3nn(C)c(C)c3Cl)C2)c1 ZINC000421382798 1028353309 /nfs/dbraw/zinc/35/33/09/1028353309.db2.gz MYGMBAAHNAQHBW-SHTZXODSSA-N 1 2 333.863 3.769 20 0 EHADLO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3nn(C)c(C)c3Cl)C2)c1 ZINC000421382798 1028353326 /nfs/dbraw/zinc/35/33/26/1028353326.db2.gz MYGMBAAHNAQHBW-SHTZXODSSA-N 1 2 333.863 3.769 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H](C)CC)CC2)s1 ZINC000523472462 1028353515 /nfs/dbraw/zinc/35/35/15/1028353515.db2.gz RXGHCHUAPHSEFS-GJZGRUSLSA-N 1 2 337.533 3.572 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)nn1C ZINC000421389114 1028364848 /nfs/dbraw/zinc/36/48/48/1028364848.db2.gz WNRZUTUUVAVVAT-AWEZNQCLSA-N 1 2 325.790 3.827 20 0 EHADLO CSCc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068422019 1028398167 /nfs/dbraw/zinc/39/81/67/1028398167.db2.gz IUZRVMYZCMPWIX-UHFFFAOYSA-N 1 2 329.469 3.567 20 0 EHADLO Cc1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc[nH+]1 ZINC000068541337 1028400545 /nfs/dbraw/zinc/40/05/45/1028400545.db2.gz NUAASZFCLZJMNE-UHFFFAOYSA-N 1 2 341.411 3.758 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455553462 1028434559 /nfs/dbraw/zinc/43/45/59/1028434559.db2.gz CLFKMOKBMVSZQU-IBGZPJMESA-N 1 2 341.455 4.000 20 0 EHADLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000079102959 1028475436 /nfs/dbraw/zinc/47/54/36/1028475436.db2.gz YOHDBOHAYLQDSO-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000455562118 1028475663 /nfs/dbraw/zinc/47/56/63/1028475663.db2.gz RHHBWJUSFPSOTF-HIFRSBDPSA-N 1 2 343.393 3.866 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c[nH+]1 ZINC000455563462 1028478985 /nfs/dbraw/zinc/47/89/85/1028478985.db2.gz TYUZZECHFMOACO-LJQANCHMSA-N 1 2 341.430 3.754 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1 ZINC000421520495 1028504945 /nfs/dbraw/zinc/50/49/45/1028504945.db2.gz GMOWSDGLFSLYHQ-MLYOOKFZSA-N 1 2 337.467 3.794 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccccc1 ZINC000194426221 1028515346 /nfs/dbraw/zinc/51/53/46/1028515346.db2.gz MZHHNXUIXIMOGB-IBGZPJMESA-N 1 2 344.430 3.534 20 0 EHADLO CCCCC/C(=C\c1ccccc1)C[NH2+]Cc1nc2ncccn2n1 ZINC000414530985 1028537557 /nfs/dbraw/zinc/53/75/57/1028537557.db2.gz SEZCNLSRBXOPLE-NBVRZTHBSA-N 1 2 335.455 3.878 20 0 EHADLO Cc1cc(CNC(=O)CSc2ccc3c(c2)CCC3)cc(C)[nH+]1 ZINC000421561422 1028537765 /nfs/dbraw/zinc/53/77/65/1028537765.db2.gz SMWXRVWUKCPOGN-UHFFFAOYSA-N 1 2 326.465 3.596 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162280954 1028550668 /nfs/dbraw/zinc/55/06/68/1028550668.db2.gz YIIFXEOQTXKUNT-LBPRGKRZSA-N 1 2 340.414 3.571 20 0 EHADLO CCOc1cnc(Br)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204959847 1028554327 /nfs/dbraw/zinc/55/43/27/1028554327.db2.gz XHNJTRJFQMEKJW-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)o1 ZINC000073606084 1028565373 /nfs/dbraw/zinc/56/53/73/1028565373.db2.gz JXESCTOJKBFCTH-CQSZACIVSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)o1 ZINC000073606084 1028565376 /nfs/dbraw/zinc/56/53/76/1028565376.db2.gz JXESCTOJKBFCTH-CQSZACIVSA-N 1 2 330.453 3.547 20 0 EHADLO Cc1nc(CCC(=O)NCc2cc(C)[nH+]c(C)c2)oc1-c1ccccc1 ZINC000421575356 1028569979 /nfs/dbraw/zinc/56/99/79/1028569979.db2.gz JUGURIMOZJKTMR-UHFFFAOYSA-N 1 2 349.434 3.911 20 0 EHADLO COc1cc(CCC(=O)NCc2cc(C)[nH+]c(C)c2)ccc1Cl ZINC000421581058 1028574835 /nfs/dbraw/zinc/57/48/35/1028574835.db2.gz XSJSCYRIJMSXAJ-UHFFFAOYSA-N 1 2 332.831 3.609 20 0 EHADLO Cc1cc(CNC(=O)COc2cc(Cl)cc(Cl)c2)cc(C)[nH+]1 ZINC000421579308 1028575323 /nfs/dbraw/zinc/57/53/23/1028575323.db2.gz UEGKYHBBSQKXQD-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO Cc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)sc2nccc(C)c12 ZINC000421581786 1028576907 /nfs/dbraw/zinc/57/69/07/1028576907.db2.gz ZBBNEAPHXLRPQX-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO FC(F)(F)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000195122573 1028584484 /nfs/dbraw/zinc/58/44/84/1028584484.db2.gz SHKFHNOHISWLOC-JKSUJKDBSA-N 1 2 346.356 3.830 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)n1 ZINC000278041250 1028638748 /nfs/dbraw/zinc/63/87/48/1028638748.db2.gz CJVSOOWXKILHAM-UHFFFAOYSA-N 1 2 346.450 3.822 20 0 EHADLO Cc1ncc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000237868133 1028668278 /nfs/dbraw/zinc/66/82/78/1028668278.db2.gz LOQFFZWCVHIRKG-SFHVURJKSA-N 1 2 337.448 3.921 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)s1 ZINC000655760611 1028680305 /nfs/dbraw/zinc/68/03/05/1028680305.db2.gz VMNVHEZBZNNKDZ-LLVKDONJSA-N 1 2 347.875 3.845 20 0 EHADLO C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428568300 1028690281 /nfs/dbraw/zinc/69/02/81/1028690281.db2.gz CVXGJIZMJODSMB-HOTGVXAUSA-N 1 2 332.492 3.577 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc([C@H](C)OCC)no2)cc1 ZINC000246810415 1028695417 /nfs/dbraw/zinc/69/54/17/1028695417.db2.gz RQUUDXKPXCFOSV-WMLDXEAASA-N 1 2 345.443 3.903 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc([C@H](C)OCC)no2)cc1 ZINC000246810415 1028695426 /nfs/dbraw/zinc/69/54/26/1028695426.db2.gz RQUUDXKPXCFOSV-WMLDXEAASA-N 1 2 345.443 3.903 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000245460274 1028713749 /nfs/dbraw/zinc/71/37/49/1028713749.db2.gz VRYYRKUGPGSYBC-DGCLKSJQSA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCS1 ZINC000245460274 1028713762 /nfs/dbraw/zinc/71/37/62/1028713762.db2.gz VRYYRKUGPGSYBC-DGCLKSJQSA-N 1 2 342.892 3.503 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475627808 1028729330 /nfs/dbraw/zinc/72/93/30/1028729330.db2.gz VGVJLSOJFWFXFP-CJNGLKHVSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475627808 1028729316 /nfs/dbraw/zinc/72/93/16/1028729316.db2.gz VGVJLSOJFWFXFP-CJNGLKHVSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2nc3c(s2)CCCCC3)c[nH+]1 ZINC000454304153 1028743558 /nfs/dbraw/zinc/74/35/58/1028743558.db2.gz QUXHKSVOPDXBOV-UHFFFAOYSA-N 1 2 330.457 3.746 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454307430 1028749272 /nfs/dbraw/zinc/74/92/72/1028749272.db2.gz CRMAVMKBQLETAD-HNNXBMFYSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Br ZINC000414550798 1028761912 /nfs/dbraw/zinc/76/19/12/1028761912.db2.gz DQUBXUUFPSEWCD-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454339808 1028770437 /nfs/dbraw/zinc/77/04/37/1028770437.db2.gz PDINLUQSNOZSMN-ICSRJNTNSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247383612 1028784189 /nfs/dbraw/zinc/78/41/89/1028784189.db2.gz ICRWKNCVOVCTTR-LMMKCTJWSA-N 1 2 340.471 3.588 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)cs1 ZINC000245545866 1028804707 /nfs/dbraw/zinc/80/47/07/1028804707.db2.gz VWNDGTROELAYKX-CABCVRRESA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)cs1 ZINC000245545866 1028804719 /nfs/dbraw/zinc/80/47/19/1028804719.db2.gz VWNDGTROELAYKX-CABCVRRESA-N 1 2 334.485 3.624 20 0 EHADLO Cc1cccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)c1 ZINC000075997322 1028865310 /nfs/dbraw/zinc/86/53/10/1028865310.db2.gz NSNHEYVDYWSPSZ-UHFFFAOYSA-N 1 2 325.334 3.819 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccncc1Cl ZINC000421846031 1028868990 /nfs/dbraw/zinc/86/89/90/1028868990.db2.gz YMATXULNSZJAPL-MCIONIFRSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccncc1Cl ZINC000421846032 1028870173 /nfs/dbraw/zinc/87/01/73/1028870173.db2.gz YMATXULNSZJAPL-MGPQQGTHSA-N 1 2 346.862 3.917 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(CC(C)C)cc2)s1 ZINC000424203749 1028888727 /nfs/dbraw/zinc/88/87/27/1028888727.db2.gz RPHQQCLXANZLCH-ZDUSSCGKSA-N 1 2 332.469 3.979 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCC3)s1 ZINC000424205295 1028891221 /nfs/dbraw/zinc/89/12/21/1028891221.db2.gz UWQROTXIOVROCI-GFCCVEGCSA-N 1 2 330.453 3.659 20 0 EHADLO F[C@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000424223429 1028896088 /nfs/dbraw/zinc/89/60/88/1028896088.db2.gz PQRKMHXCIFFLBY-IRXDYDNUSA-N 1 2 345.418 3.565 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000248642199 1028932787 /nfs/dbraw/zinc/93/27/87/1028932787.db2.gz XZZDYCQLBWASMT-GJZGRUSLSA-N 1 2 337.464 3.527 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000248642199 1028932799 /nfs/dbraw/zinc/93/27/99/1028932799.db2.gz XZZDYCQLBWASMT-GJZGRUSLSA-N 1 2 337.464 3.527 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000248781010 1028947556 /nfs/dbraw/zinc/94/75/56/1028947556.db2.gz WWCAXPWUMJDZFL-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO COc1cccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475632026 1028948760 /nfs/dbraw/zinc/94/87/60/1028948760.db2.gz PRZAWFXHMGOFDE-OAHLLOKOSA-N 1 2 326.223 3.825 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(Cl)c1 ZINC000424319217 1028965261 /nfs/dbraw/zinc/96/52/61/1028965261.db2.gz SCFVTSGUMOAZJP-VXGBXAGGSA-N 1 2 334.851 3.688 20 0 EHADLO Brc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)s1 ZINC000414560574 1028965442 /nfs/dbraw/zinc/96/54/42/1028965442.db2.gz WXUIBYAFYMZLIO-UHFFFAOYSA-N 1 2 330.276 3.529 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000076341934 1028967306 /nfs/dbraw/zinc/96/73/06/1028967306.db2.gz MZRSZJXNFKPCME-KRWDZBQOSA-N 1 2 332.444 3.647 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000076341934 1028967317 /nfs/dbraw/zinc/96/73/17/1028967317.db2.gz MZRSZJXNFKPCME-KRWDZBQOSA-N 1 2 332.444 3.647 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CC(C)(C)Cc3occc32)s1 ZINC000424327492 1028975187 /nfs/dbraw/zinc/97/51/87/1028975187.db2.gz MQQNJGGJGFKPIN-CMPLNLGQSA-N 1 2 334.441 3.887 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000347376911 1029024124 /nfs/dbraw/zinc/02/41/24/1029024124.db2.gz VMQBRLUWZGZFNC-DNVCBOLYSA-N 1 2 347.480 3.988 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000347376911 1029024132 /nfs/dbraw/zinc/02/41/32/1029024132.db2.gz VMQBRLUWZGZFNC-DNVCBOLYSA-N 1 2 347.480 3.988 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000532928125 1029054437 /nfs/dbraw/zinc/05/44/37/1029054437.db2.gz ATHNFUJQEUGNEE-CQSZACIVSA-N 1 2 349.887 3.751 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000532928125 1029054453 /nfs/dbraw/zinc/05/44/53/1029054453.db2.gz ATHNFUJQEUGNEE-CQSZACIVSA-N 1 2 349.887 3.751 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000532944104 1029085523 /nfs/dbraw/zinc/08/55/23/1029085523.db2.gz SRIPVKCXUGSPSY-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000532944104 1029085542 /nfs/dbraw/zinc/08/55/42/1029085542.db2.gz SRIPVKCXUGSPSY-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000664391135 1029091132 /nfs/dbraw/zinc/09/11/32/1029091132.db2.gz XMMPFXBMFOQSFQ-SWLSCSKDSA-N 1 2 336.505 3.685 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000664391135 1029091149 /nfs/dbraw/zinc/09/11/49/1029091149.db2.gz XMMPFXBMFOQSFQ-SWLSCSKDSA-N 1 2 336.505 3.685 20 0 EHADLO Cc1ccc(SCC[N@H+]2CCOC[C@H]2c2cccn2C)cc1C ZINC000445782162 1029120600 /nfs/dbraw/zinc/12/06/00/1029120600.db2.gz MWPXVNVTGDTQLP-IBGZPJMESA-N 1 2 330.497 3.808 20 0 EHADLO Cc1ccc(SCC[N@@H+]2CCOC[C@H]2c2cccn2C)cc1C ZINC000445782162 1029120604 /nfs/dbraw/zinc/12/06/04/1029120604.db2.gz MWPXVNVTGDTQLP-IBGZPJMESA-N 1 2 330.497 3.808 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)sc1-c1cccc(Cl)c1 ZINC000524379737 1029124311 /nfs/dbraw/zinc/12/43/11/1029124311.db2.gz URYWDVHGNDUCIR-UHFFFAOYSA-N 1 2 334.872 3.765 20 0 EHADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(C4CC4)o3)ccc2NC1=O ZINC000271705795 1029130382 /nfs/dbraw/zinc/13/03/82/1029130382.db2.gz IOCYVCRCTBJUND-XHDPSFHLSA-N 1 2 341.411 3.512 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524404753 1029151044 /nfs/dbraw/zinc/15/10/44/1029151044.db2.gz RLSWBQXEUMRQAX-WBVHZDCISA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(F)ccc2OC(C)C)c[nH+]1 ZINC000454663772 1029154703 /nfs/dbraw/zinc/15/47/03/1029154703.db2.gz FGGARKFXJHVIQL-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)o1 ZINC000271801633 1029176605 /nfs/dbraw/zinc/17/66/05/1029176605.db2.gz IYVCLKXPQBLLSM-QGZVFWFLSA-N 1 2 333.476 3.888 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124373270 1029208504 /nfs/dbraw/zinc/20/85/04/1029208504.db2.gz HUCVTLQMENHASH-CGTJXYLNSA-N 1 2 343.496 3.864 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000079851983 1029253590 /nfs/dbraw/zinc/25/35/90/1029253590.db2.gz FPRDURLEOYDWPI-LAUBAEHRSA-N 1 2 339.483 3.654 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161591160 1029257638 /nfs/dbraw/zinc/25/76/38/1029257638.db2.gz INBXMXYQEOBSRX-OBEJXRGXSA-N 1 2 341.842 3.533 20 0 EHADLO CC(C)n1cncc1CNc1[nH+]c2cc(Cl)c(Cl)cc2n1C ZINC000424726981 1029297181 /nfs/dbraw/zinc/29/71/81/1029297181.db2.gz UXRBBKURDYLSBB-UHFFFAOYSA-N 1 2 338.242 3.692 20 0 EHADLO c1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)oc1C1CC1 ZINC000272083284 1029301822 /nfs/dbraw/zinc/30/18/22/1029301822.db2.gz WTPAMGJCLUUFGT-LJQANCHMSA-N 1 2 326.396 3.564 20 0 EHADLO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@H](CO)c1ccccc1 ZINC000343122233 1029319256 /nfs/dbraw/zinc/31/92/56/1029319256.db2.gz SUZOJCQOILRWSE-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@H](CO)c1ccccc1 ZINC000343122233 1029319271 /nfs/dbraw/zinc/31/92/71/1029319271.db2.gz SUZOJCQOILRWSE-MRXNPFEDSA-N 1 2 343.814 3.555 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)n2)cc1 ZINC000237450950 1029323887 /nfs/dbraw/zinc/32/38/87/1029323887.db2.gz IEFBYKMKJFGZFH-LIRRHRJNSA-N 1 2 337.423 3.887 20 0 EHADLO CSc1ccc(C)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000272132810 1029324953 /nfs/dbraw/zinc/32/49/53/1029324953.db2.gz WQNNTOAPKDQMIL-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO COCC[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(C)o1 ZINC000272138402 1029327543 /nfs/dbraw/zinc/32/75/43/1029327543.db2.gz BJAJXWLQLKBTLK-OAHLLOKOSA-N 1 2 347.846 3.996 20 0 EHADLO O=C(Nc1ccccc1Cl)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154859974 1029327859 /nfs/dbraw/zinc/32/78/59/1029327859.db2.gz VQHPLIHIGJLOQW-ZDUSSCGKSA-N 1 2 330.819 3.526 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)NCCn1cc[nH+]c1 ZINC000171325583 1029329883 /nfs/dbraw/zinc/32/98/83/1029329883.db2.gz CPWSPFNYBZRITE-UHFFFAOYSA-N 1 2 334.851 3.548 20 0 EHADLO Cc1ccncc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000272197481 1029355329 /nfs/dbraw/zinc/35/53/29/1029355329.db2.gz AVXLVJIFOAOYHL-OAGGEKHMSA-N 1 2 326.444 3.572 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000154958208 1029385577 /nfs/dbraw/zinc/38/55/77/1029385577.db2.gz LVPDHEOCTWEUQQ-SFHVURJKSA-N 1 2 335.451 3.755 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000154958208 1029385589 /nfs/dbraw/zinc/38/55/89/1029385589.db2.gz LVPDHEOCTWEUQQ-SFHVURJKSA-N 1 2 335.451 3.755 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccnc1Cl ZINC000272279210 1029393055 /nfs/dbraw/zinc/39/30/55/1029393055.db2.gz QCHPXFAJPIIAOT-MJBXVCDLSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@@H](C)[C@H](C)O1 ZINC000446077147 1029393439 /nfs/dbraw/zinc/39/34/39/1029393439.db2.gz ISVPDZNAVQLHOE-PMPSAXMXSA-N 1 2 344.430 3.797 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)[C@@H](C)[C@H](C)O1 ZINC000446077147 1029393461 /nfs/dbraw/zinc/39/34/61/1029393461.db2.gz ISVPDZNAVQLHOE-PMPSAXMXSA-N 1 2 344.430 3.797 20 0 EHADLO CCCCc1ccc(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000272339144 1029423824 /nfs/dbraw/zinc/42/38/24/1029423824.db2.gz OJVZNIGXABEEDV-UHFFFAOYSA-N 1 2 334.423 3.887 20 0 EHADLO COc1ccc(CCC2CC[NH+](Cc3nnc(C4CC4)[nH]3)CC2)cc1 ZINC000347377718 1029439512 /nfs/dbraw/zinc/43/95/12/1029439512.db2.gz DZCVBQGNOULRPW-UHFFFAOYSA-N 1 2 340.471 3.536 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc(C)nc3CC(C)C)ccc2[nH+]1 ZINC000446144123 1029447713 /nfs/dbraw/zinc/44/77/13/1029447713.db2.gz BKBNYEXHHWOQGS-UHFFFAOYSA-N 1 2 328.441 3.858 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000583259889 1029456728 /nfs/dbraw/zinc/45/67/28/1029456728.db2.gz QDVRFIVZUAIFAH-HZPDHXFCSA-N 1 2 334.872 3.982 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000583259889 1029456733 /nfs/dbraw/zinc/45/67/33/1029456733.db2.gz QDVRFIVZUAIFAH-HZPDHXFCSA-N 1 2 334.872 3.982 20 0 EHADLO C[C@@H]1CC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000272437219 1029460281 /nfs/dbraw/zinc/46/02/81/1029460281.db2.gz KPJHELJRZKREFM-HOTGVXAUSA-N 1 2 325.456 3.620 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccccc3F)CC2)s1 ZINC000505313219 1029462941 /nfs/dbraw/zinc/46/29/41/1029462941.db2.gz FFKBHTLUOCYNIC-UHFFFAOYSA-N 1 2 333.476 3.902 20 0 EHADLO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(Cl)s1 ZINC000524754559 1029471014 /nfs/dbraw/zinc/47/10/14/1029471014.db2.gz GBKHIPYWDGGVIB-UHFFFAOYSA-N 1 2 326.893 3.767 20 0 EHADLO C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(Cl)s1 ZINC000524754559 1029471019 /nfs/dbraw/zinc/47/10/19/1029471019.db2.gz GBKHIPYWDGGVIB-UHFFFAOYSA-N 1 2 326.893 3.767 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000524756710 1029488982 /nfs/dbraw/zinc/48/89/82/1029488982.db2.gz JLQDQHAMKVPBOK-CQSZACIVSA-N 1 2 330.447 3.678 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000524756710 1029488985 /nfs/dbraw/zinc/48/89/85/1029488985.db2.gz JLQDQHAMKVPBOK-CQSZACIVSA-N 1 2 330.447 3.678 20 0 EHADLO C[C@H]1CC=C(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000454957529 1029509073 /nfs/dbraw/zinc/50/90/73/1029509073.db2.gz UPQKBHYWIRHLTN-HNNXBMFYSA-N 1 2 325.412 3.647 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272650168 1029548991 /nfs/dbraw/zinc/54/89/91/1029548991.db2.gz MWRJADCTXUPSAR-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1c2ccccc2oc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272650168 1029549004 /nfs/dbraw/zinc/54/90/04/1029549004.db2.gz MWRJADCTXUPSAR-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278182392 1029557887 /nfs/dbraw/zinc/55/78/87/1029557887.db2.gz VKIFRBXUFVPGOL-CRAIPNDOSA-N 1 2 335.407 3.816 20 0 EHADLO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278182392 1029557901 /nfs/dbraw/zinc/55/79/01/1029557901.db2.gz VKIFRBXUFVPGOL-CRAIPNDOSA-N 1 2 335.407 3.816 20 0 EHADLO c1csc(C[NH+](Cc2cccs2)Cc2[nH]nc3c2COCC3)c1 ZINC000929091459 1029574585 /nfs/dbraw/zinc/57/45/85/1029574585.db2.gz AAEZDVSMWQPQAG-UHFFFAOYSA-N 1 2 345.493 3.808 20 0 EHADLO CC[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)F ZINC000455023926 1029591103 /nfs/dbraw/zinc/59/11/03/1029591103.db2.gz NJHUJWDVTHPMNO-AWEZNQCLSA-N 1 2 346.381 3.767 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000666817465 1029611125 /nfs/dbraw/zinc/61/11/25/1029611125.db2.gz PPHKDXXDVZFIFH-HIFRSBDPSA-N 1 2 343.858 3.851 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1SCCc2sccc21 ZINC000079450658 1029644009 /nfs/dbraw/zinc/64/40/09/1029644009.db2.gz MSNIDLOPABSFHU-INIZCTEOSA-N 1 2 341.461 3.903 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1Cl ZINC000666835637 1029644694 /nfs/dbraw/zinc/64/46/94/1029644694.db2.gz SVABPTHUKLRPAK-CHWSQXEVSA-N 1 2 333.819 3.605 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000525002179 1029646248 /nfs/dbraw/zinc/64/62/48/1029646248.db2.gz CYXVSIYPAVPAEA-CYBMUJFWSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000525002179 1029646250 /nfs/dbraw/zinc/64/62/50/1029646250.db2.gz CYXVSIYPAVPAEA-CYBMUJFWSA-N 1 2 330.255 3.547 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000079601519 1029676872 /nfs/dbraw/zinc/67/68/72/1029676872.db2.gz GBRPWQRDVFHTJF-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1SCCc2sccc21 ZINC000079602761 1029677365 /nfs/dbraw/zinc/67/73/65/1029677365.db2.gz QUJKTCYMLQXHSE-MRXNPFEDSA-N 1 2 341.461 3.903 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2ccccc2Br)c(C)c[nH+]1 ZINC000546612817 1029678715 /nfs/dbraw/zinc/67/87/15/1029678715.db2.gz LZBLIFUNQAAMPJ-UHFFFAOYSA-N 1 2 347.256 3.799 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000126292432 1029696577 /nfs/dbraw/zinc/69/65/77/1029696577.db2.gz KZMMLBGPZREDKH-OJCVGBIZSA-N 1 2 346.434 3.554 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155974021 1029706139 /nfs/dbraw/zinc/70/61/39/1029706139.db2.gz FJSMWUFQOSKMPR-OAHLLOKOSA-N 1 2 329.403 3.655 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000428448031 1029707190 /nfs/dbraw/zinc/70/71/90/1029707190.db2.gz OLFOFJIGWADAPM-UHFFFAOYSA-N 1 2 347.890 3.907 20 0 EHADLO CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)C1=CCCC1 ZINC000455607679 1029753788 /nfs/dbraw/zinc/75/37/88/1029753788.db2.gz UXKOCOYSTRFWPG-UHFFFAOYSA-N 1 2 330.476 3.709 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126610409 1029754410 /nfs/dbraw/zinc/75/44/10/1029754410.db2.gz HQCRYXQMKUYDLR-YPXCQQABSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@@]1(c2ccccc2)CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000446715774 1029768640 /nfs/dbraw/zinc/76/86/40/1029768640.db2.gz VBAWEXVKUHRXND-OAQYLSRUSA-N 1 2 333.435 3.824 20 0 EHADLO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000446715774 1029768648 /nfs/dbraw/zinc/76/86/48/1029768648.db2.gz VBAWEXVKUHRXND-OAQYLSRUSA-N 1 2 333.435 3.824 20 0 EHADLO CCC1(CC)CC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000446736520 1029784717 /nfs/dbraw/zinc/78/47/17/1029784717.db2.gz VJNIAKKCMMGUOK-UHFFFAOYSA-N 1 2 339.277 3.900 20 0 EHADLO CCC1(CC)CC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000446736520 1029784727 /nfs/dbraw/zinc/78/47/27/1029784727.db2.gz VJNIAKKCMMGUOK-UHFFFAOYSA-N 1 2 339.277 3.900 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)o1 ZINC000525274472 1029785026 /nfs/dbraw/zinc/78/50/26/1029785026.db2.gz OYWNEQNLGCGQQN-HNAYVOBHSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)o1 ZINC000525274472 1029785031 /nfs/dbraw/zinc/78/50/31/1029785031.db2.gz OYWNEQNLGCGQQN-HNAYVOBHSA-N 1 2 343.423 3.645 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000156271095 1029792368 /nfs/dbraw/zinc/79/23/68/1029792368.db2.gz DVGQVYGWMMGNMA-MRXNPFEDSA-N 1 2 336.439 3.695 20 0 EHADLO COc1ccc(C[N@H+]2CC=C(C)CC2)c(Br)c1OC ZINC000533764750 1029796585 /nfs/dbraw/zinc/79/65/85/1029796585.db2.gz OZMUZEHERHUSMW-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO COc1ccc(C[N@@H+]2CC=C(C)CC2)c(Br)c1OC ZINC000533764750 1029796591 /nfs/dbraw/zinc/79/65/91/1029796591.db2.gz OZMUZEHERHUSMW-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO CCCCOc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211580095 1029799246 /nfs/dbraw/zinc/79/92/46/1029799246.db2.gz MNFSTRRBLUIGOM-AWEZNQCLSA-N 1 2 337.370 3.628 20 0 EHADLO CCO[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000080018283 1029811594 /nfs/dbraw/zinc/81/15/94/1029811594.db2.gz QGKSTUNRNVRHHL-LJQANCHMSA-N 1 2 341.455 3.588 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(C2CCC2)cn1 ZINC000455679317 1029830854 /nfs/dbraw/zinc/83/08/54/1029830854.db2.gz FZHSXEKESLJFLB-UHFFFAOYSA-N 1 2 339.443 3.758 20 0 EHADLO c1csc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000278254578 1029831783 /nfs/dbraw/zinc/83/17/83/1029831783.db2.gz MWXXHTZVGWLRHB-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO c1csc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000278254578 1029831791 /nfs/dbraw/zinc/83/17/91/1029831791.db2.gz MWXXHTZVGWLRHB-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428638765 1029833202 /nfs/dbraw/zinc/83/32/02/1029833202.db2.gz CMWOKJNAKLWBNY-GOSISDBHSA-N 1 2 332.488 3.608 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001211580961 1029833356 /nfs/dbraw/zinc/83/33/56/1029833356.db2.gz WSBMDAVWYDTYHE-SNVBAGLBSA-N 1 2 339.729 3.848 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc2cc[nH]c21 ZINC000080109454 1029843344 /nfs/dbraw/zinc/84/33/44/1029843344.db2.gz XGDCDJLQDACKDZ-UHFFFAOYSA-N 1 2 348.450 3.873 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000533813882 1029861062 /nfs/dbraw/zinc/86/10/62/1029861062.db2.gz HSRYFZJETVDXFE-UHFFFAOYSA-N 1 2 346.471 3.509 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(-c2cccc(Cl)c2)no1 ZINC000428661808 1029867631 /nfs/dbraw/zinc/86/76/31/1029867631.db2.gz VYGDVUFZLPNUAM-UHFFFAOYSA-N 1 2 343.818 3.559 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000536038991 1029868660 /nfs/dbraw/zinc/86/86/60/1029868660.db2.gz OCYPQZPAUVZOKL-NSHDSACASA-N 1 2 346.780 3.712 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000536038991 1029868663 /nfs/dbraw/zinc/86/86/63/1029868663.db2.gz OCYPQZPAUVZOKL-NSHDSACASA-N 1 2 346.780 3.712 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000455716525 1029869185 /nfs/dbraw/zinc/86/91/85/1029869185.db2.gz PZCJCSWZERLMES-OALUTQOASA-N 1 2 337.467 3.898 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC2)C1 ZINC000455767618 1029910370 /nfs/dbraw/zinc/91/03/70/1029910370.db2.gz WJNSUEBPMTWCGE-LRYGQEGESA-N 1 2 349.478 3.691 20 0 EHADLO CCCc1csc(C[NH+]2CCC(Oc3ncccc3F)CC2)n1 ZINC000447071069 1029918903 /nfs/dbraw/zinc/91/89/03/1029918903.db2.gz ZCYLRDCQISWVSX-UHFFFAOYSA-N 1 2 335.448 3.673 20 0 EHADLO c1ccc(OCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000533868164 1029944224 /nfs/dbraw/zinc/94/42/24/1029944224.db2.gz UOEUWVXCJASCRG-SFHVURJKSA-N 1 2 334.423 3.688 20 0 EHADLO c1ccc(OCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000533868164 1029944242 /nfs/dbraw/zinc/94/42/42/1029944242.db2.gz UOEUWVXCJASCRG-SFHVURJKSA-N 1 2 334.423 3.688 20 0 EHADLO Cc1ccc(C2(C[NH2+][C@H](c3nnc[nH]3)c3ccccc3)CC2)c(C)c1 ZINC000453242786 1029969626 /nfs/dbraw/zinc/96/96/26/1029969626.db2.gz FVNPPYFHNTZNAL-IBGZPJMESA-N 1 2 332.451 3.832 20 0 EHADLO O=C(CCCOc1cccc(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058383745 1029974110 /nfs/dbraw/zinc/97/41/10/1029974110.db2.gz GGTUXYHKEYHLHC-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000525638392 1029987263 /nfs/dbraw/zinc/98/72/63/1029987263.db2.gz IIFFKRVZLOBBRX-HNNXBMFYSA-N 1 2 327.424 3.918 20 0 EHADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000525638392 1029987270 /nfs/dbraw/zinc/98/72/70/1029987270.db2.gz IIFFKRVZLOBBRX-HNNXBMFYSA-N 1 2 327.424 3.918 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000120571099 1030066840 /nfs/dbraw/zinc/06/68/40/1030066840.db2.gz JZMVWXMPOYYBIO-FXAWDEMLSA-N 1 2 338.451 3.954 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000120571268 1030068018 /nfs/dbraw/zinc/06/80/18/1030068018.db2.gz JZMVWXMPOYYBIO-YLJYHZDGSA-N 1 2 338.451 3.954 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCCO2 ZINC000453304293 1030071264 /nfs/dbraw/zinc/07/12/64/1030071264.db2.gz OWVLOGGYFPHDPO-CQSZACIVSA-N 1 2 337.345 3.807 20 0 EHADLO Cc1cc(NC[C@@H](c2ccccc2)C(C)(C)CO)nc(C2CC2)[nH+]1 ZINC000120771275 1030088227 /nfs/dbraw/zinc/08/82/27/1030088227.db2.gz DEJNWXLJRQAULA-KRWDZBQOSA-N 1 2 325.456 3.877 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000600640975 1030097935 /nfs/dbraw/zinc/09/79/35/1030097935.db2.gz JMZDNOVHWSHYJI-SJORKVTESA-N 1 2 325.456 3.530 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000453351763 1030143054 /nfs/dbraw/zinc/14/30/54/1030143054.db2.gz FLNITTPTVSMIPU-CYBMUJFWSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1cnc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)s1 ZINC000447381571 1030148399 /nfs/dbraw/zinc/14/83/99/1030148399.db2.gz GURWTBYSIVYMIY-AWEZNQCLSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1cnc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)s1 ZINC000447381571 1030148403 /nfs/dbraw/zinc/14/84/03/1030148403.db2.gz GURWTBYSIVYMIY-AWEZNQCLSA-N 1 2 338.480 3.710 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000481987467 1030149455 /nfs/dbraw/zinc/14/94/55/1030149455.db2.gz BPCFVVOUMOGFSB-JTQLQIEISA-N 1 2 348.082 3.981 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cc1ncc(Br)cc1Br ZINC000481987467 1030149471 /nfs/dbraw/zinc/14/94/71/1030149471.db2.gz BPCFVVOUMOGFSB-JTQLQIEISA-N 1 2 348.082 3.981 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447398754 1030166472 /nfs/dbraw/zinc/16/64/72/1030166472.db2.gz SWZBWSMWDSVBAN-KRWDZBQOSA-N 1 2 349.482 3.723 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447398754 1030166484 /nfs/dbraw/zinc/16/64/84/1030166484.db2.gz SWZBWSMWDSVBAN-KRWDZBQOSA-N 1 2 349.482 3.723 20 0 EHADLO C=C(Br)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000052440848 1030174924 /nfs/dbraw/zinc/17/49/24/1030174924.db2.gz NKTUUIPOPALXIV-AWEZNQCLSA-N 1 2 326.234 3.749 20 0 EHADLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000052440848 1030174930 /nfs/dbraw/zinc/17/49/30/1030174930.db2.gz NKTUUIPOPALXIV-AWEZNQCLSA-N 1 2 326.234 3.749 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2ccco2)cc1 ZINC000453404835 1030212604 /nfs/dbraw/zinc/21/26/04/1030212604.db2.gz NXHZYUDZDSVYEM-XLIONFOSSA-N 1 2 337.423 3.778 20 0 EHADLO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000453412079 1030226624 /nfs/dbraw/zinc/22/66/24/1030226624.db2.gz XPESIYBYXYICEN-SCLBCKFNSA-N 1 2 346.450 3.795 20 0 EHADLO O=C1CCCN1[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000583605746 1030266614 /nfs/dbraw/zinc/26/66/14/1030266614.db2.gz ZKXAXQQUKCPJAZ-LBPRGKRZSA-N 1 2 347.821 3.619 20 0 EHADLO COCc1csc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000667993124 1030284750 /nfs/dbraw/zinc/28/47/50/1030284750.db2.gz OXBGRGURROMJES-AWEZNQCLSA-N 1 2 336.526 3.835 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)c(OC[C@@H]2CCCO2)c1 ZINC000091736173 1030293072 /nfs/dbraw/zinc/29/30/72/1030293072.db2.gz WGIHZWFGZVWEAP-HOCLYGCPSA-N 1 2 332.469 3.860 20 0 EHADLO Fc1ccc(C=C2CCN(Cc3c[nH+]c4n3CCC4)CC2)cc1F ZINC000667997585 1030315806 /nfs/dbraw/zinc/31/58/06/1030315806.db2.gz UJLXPODTHRCCEN-UHFFFAOYSA-N 1 2 329.394 3.787 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCO[C@H](C4CC4)C3)cn2)cc1 ZINC000668006173 1030335486 /nfs/dbraw/zinc/33/54/86/1030335486.db2.gz LQQFPYNRTQXWQH-SFHVURJKSA-N 1 2 328.387 3.624 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)cn2)cc1 ZINC000668006173 1030335499 /nfs/dbraw/zinc/33/54/99/1030335499.db2.gz LQQFPYNRTQXWQH-SFHVURJKSA-N 1 2 328.387 3.624 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cscc1Br ZINC000453606671 1030392675 /nfs/dbraw/zinc/39/26/75/1030392675.db2.gz DUMPBJCOWXIVMC-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cscc1Br ZINC000453606671 1030392691 /nfs/dbraw/zinc/39/26/91/1030392691.db2.gz DUMPBJCOWXIVMC-UHFFFAOYSA-N 1 2 342.306 3.902 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1ccn(-c2ccccc2F)n1 ZINC000526083371 1030408806 /nfs/dbraw/zinc/40/88/06/1030408806.db2.gz NSXVYILZDQCQJS-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1ccn(-c2ccccc2F)n1 ZINC000526083371 1030408809 /nfs/dbraw/zinc/40/88/09/1030408809.db2.gz NSXVYILZDQCQJS-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc2ccccc21 ZINC000343347168 1030423343 /nfs/dbraw/zinc/42/33/43/1030423343.db2.gz UUWUXUUNTCBUOL-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635127517 1030425497 /nfs/dbraw/zinc/42/54/97/1030425497.db2.gz OGCQCOKODAXJHA-DOTOQJQBSA-N 1 2 329.444 3.665 20 0 EHADLO CC[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)OC ZINC000447798359 1030481690 /nfs/dbraw/zinc/48/16/90/1030481690.db2.gz VXSDIIGILIYDIC-GFCCVEGCSA-N 1 2 329.227 3.558 20 0 EHADLO O=C(CCc1ccc(Cl)s1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343359900 1030494756 /nfs/dbraw/zinc/49/47/56/1030494756.db2.gz KEYKFMHGWXUSNC-UHFFFAOYSA-N 1 2 346.843 3.613 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824185 1030500702 /nfs/dbraw/zinc/50/07/02/1030500702.db2.gz XZPSMOSKCOCKNT-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000447824185 1030500712 /nfs/dbraw/zinc/50/07/12/1030500712.db2.gz XZPSMOSKCOCKNT-XHBSWPGZSA-N 1 2 330.255 3.762 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000482528600 1030507261 /nfs/dbraw/zinc/50/72/61/1030507261.db2.gz WKIHGHCJYDLFAW-CQSZACIVSA-N 1 2 341.904 3.922 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000482528600 1030507276 /nfs/dbraw/zinc/50/72/76/1030507276.db2.gz WKIHGHCJYDLFAW-CQSZACIVSA-N 1 2 341.904 3.922 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C(C)C)C2 ZINC000526995176 1030556417 /nfs/dbraw/zinc/55/64/17/1030556417.db2.gz AJYVNIFJCILJSX-OAGGEKHMSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000526995176 1030556431 /nfs/dbraw/zinc/55/64/31/1030556431.db2.gz AJYVNIFJCILJSX-OAGGEKHMSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1CCCC[C@H]1C)C2 ZINC000526997349 1030558916 /nfs/dbraw/zinc/55/89/16/1030558916.db2.gz WWMZCYIOUCBDTJ-OWCLPIDISA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1CCCC[C@H]1C)CC2 ZINC000526997349 1030558924 /nfs/dbraw/zinc/55/89/24/1030558924.db2.gz WWMZCYIOUCBDTJ-OWCLPIDISA-N 1 2 331.504 3.971 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000668082251 1030560634 /nfs/dbraw/zinc/56/06/34/1030560634.db2.gz KWLIZIWAOJZBSY-UHFFFAOYSA-N 1 2 341.352 3.900 20 0 EHADLO CCOCc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000527013503 1030567127 /nfs/dbraw/zinc/56/71/27/1030567127.db2.gz MCSBKVMCRLFSRT-OAHLLOKOSA-N 1 2 341.455 3.813 20 0 EHADLO CCOCc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000527013503 1030567140 /nfs/dbraw/zinc/56/71/40/1030567140.db2.gz MCSBKVMCRLFSRT-OAHLLOKOSA-N 1 2 341.455 3.813 20 0 EHADLO CC1CCC(N(C(=O)C[N@H+](Cc2ccncc2)C2CC2)C2CC2)CC1 ZINC000093221341 1030574001 /nfs/dbraw/zinc/57/40/01/1030574001.db2.gz RDROMEJNVKVGKP-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO CC1CCC(N(C(=O)C[N@@H+](Cc2ccncc2)C2CC2)C2CC2)CC1 ZINC000093221341 1030574014 /nfs/dbraw/zinc/57/40/14/1030574014.db2.gz RDROMEJNVKVGKP-UHFFFAOYSA-N 1 2 341.499 3.616 20 0 EHADLO c1cc(CNc2ccc(N3CCCCC3)[nH+]c2)n(-c2ccccc2)n1 ZINC000447899364 1030593238 /nfs/dbraw/zinc/59/32/38/1030593238.db2.gz SRQSSJZNJAXNDJ-UHFFFAOYSA-N 1 2 333.439 3.870 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H]1c2ccccc2O[C@@H]1C)c1ccccc1 ZINC000685192070 1030596151 /nfs/dbraw/zinc/59/61/51/1030596151.db2.gz UOCVAQGAWIXMBA-UIAACRFSSA-N 1 2 338.451 3.708 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000093413445 1030609910 /nfs/dbraw/zinc/60/99/10/1030609910.db2.gz MOTWAOUBAWFOCJ-IDOMTICXSA-N 1 2 325.431 3.613 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3F)n2)cc1C ZINC000527074677 1030626920 /nfs/dbraw/zinc/62/69/20/1030626920.db2.gz NEFRERRABIHSCI-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3F)n2)cc1C ZINC000527074677 1030626938 /nfs/dbraw/zinc/62/69/38/1030626938.db2.gz NEFRERRABIHSCI-UHFFFAOYSA-N 1 2 339.414 3.960 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000527075014 1030626961 /nfs/dbraw/zinc/62/69/61/1030626961.db2.gz UEUCHYXDBZSWTP-HOTGVXAUSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000527075014 1030626967 /nfs/dbraw/zinc/62/69/67/1030626967.db2.gz UEUCHYXDBZSWTP-HOTGVXAUSA-N 1 2 326.843 3.700 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000194007185 1030639309 /nfs/dbraw/zinc/63/93/09/1030639309.db2.gz AIYDMBICXMODCG-HNNXBMFYSA-N 1 2 330.863 3.516 20 0 EHADLO C=Cn1cc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000194007185 1030639318 /nfs/dbraw/zinc/63/93/18/1030639318.db2.gz AIYDMBICXMODCG-HNNXBMFYSA-N 1 2 330.863 3.516 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000093768733 1030672019 /nfs/dbraw/zinc/67/20/19/1030672019.db2.gz SFMTXFUDKLGDHO-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000093768733 1030672026 /nfs/dbraw/zinc/67/20/26/1030672026.db2.gz SFMTXFUDKLGDHO-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO CCn1c(C[NH2+][C@H]2CCOc3c(F)cccc32)nc2ccccc21 ZINC000527196753 1030720860 /nfs/dbraw/zinc/72/08/60/1030720860.db2.gz NPFAQFPUNMIRQH-HNNXBMFYSA-N 1 2 325.387 3.809 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1c[nH]c2ccccc21 ZINC000583788774 1030745153 /nfs/dbraw/zinc/74/51/53/1030745153.db2.gz BLBLKIZAOOZQCB-CQSZACIVSA-N 1 2 336.439 3.791 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1c[nH]c2ccccc21 ZINC000583788774 1030745161 /nfs/dbraw/zinc/74/51/61/1030745161.db2.gz BLBLKIZAOOZQCB-CQSZACIVSA-N 1 2 336.439 3.791 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)CCCO2 ZINC000171387807 1030757426 /nfs/dbraw/zinc/75/74/26/1030757426.db2.gz NOLLYRUGKHBQFV-UHFFFAOYSA-N 1 2 348.406 3.519 20 0 EHADLO CC(C)(C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000550886034 1030764532 /nfs/dbraw/zinc/76/45/32/1030764532.db2.gz BKVWENZTPQUQHE-SFHVURJKSA-N 1 2 342.393 3.740 20 0 EHADLO COc1c(C)ccc(NC(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000171517831 1030787344 /nfs/dbraw/zinc/78/73/44/1030787344.db2.gz SGWQTGLGBRTQTF-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO Cc1cc(C)c(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(C)c1 ZINC000635229180 1030788359 /nfs/dbraw/zinc/78/83/59/1030788359.db2.gz LPVDRJCLCKCXKI-OAHLLOKOSA-N 1 2 339.361 3.618 20 0 EHADLO Fc1ccc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)cc1F ZINC000527324097 1030794500 /nfs/dbraw/zinc/79/45/00/1030794500.db2.gz CTXJQDBQDIMRRH-KRWDZBQOSA-N 1 2 342.349 3.651 20 0 EHADLO Cc1ccc(N2CCC(C(=O)Nc3ccc(O)c(Cl)c3)CC2)[nH+]c1 ZINC000171881561 1030802441 /nfs/dbraw/zinc/80/24/41/1030802441.db2.gz UTJYIGMZMZQBEX-UHFFFAOYSA-N 1 2 345.830 3.604 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1cc(CO)on1 ZINC000924782081 1030806418 /nfs/dbraw/zinc/80/64/18/1030806418.db2.gz JSELGBNEZQGXHQ-WDEREUQCSA-N 1 2 344.333 3.520 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2cnn[nH]2)cc1 ZINC000550940244 1030809505 /nfs/dbraw/zinc/80/95/05/1030809505.db2.gz KFECEQGYENHOLQ-QGZVFWFLSA-N 1 2 348.784 3.658 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2cn[nH]n2)cc1 ZINC000550940244 1030809532 /nfs/dbraw/zinc/80/95/32/1030809532.db2.gz KFECEQGYENHOLQ-QGZVFWFLSA-N 1 2 348.784 3.658 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476697952 1030810050 /nfs/dbraw/zinc/81/00/50/1030810050.db2.gz NVAGBCKWKYGSTI-ZDUSSCGKSA-N 1 2 335.398 3.804 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033655 1030822383 /nfs/dbraw/zinc/82/23/83/1030822383.db2.gz SYLOMUNXRNMPNR-OAHLLOKOSA-N 1 2 344.459 3.908 20 0 EHADLO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172068424 1030828010 /nfs/dbraw/zinc/82/80/10/1030828010.db2.gz QJKMEISSASMNJA-PMACEKPBSA-N 1 2 347.418 3.522 20 0 EHADLO CC(C)c1nc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c2ccccn21 ZINC000550960838 1030835075 /nfs/dbraw/zinc/83/50/75/1030835075.db2.gz OQXGPVWSHVNZNQ-OAQYLSRUSA-N 1 2 348.494 3.946 20 0 EHADLO CC(C)c1nc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccccn21 ZINC000550960838 1030835086 /nfs/dbraw/zinc/83/50/86/1030835086.db2.gz OQXGPVWSHVNZNQ-OAQYLSRUSA-N 1 2 348.494 3.946 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096642965 1030850029 /nfs/dbraw/zinc/85/00/29/1030850029.db2.gz VLILTXSOKWUWPC-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000115600084 1030884972 /nfs/dbraw/zinc/88/49/72/1030884972.db2.gz LXCYOJNVIFWMHX-DZGCQCFKSA-N 1 2 329.469 3.552 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)Cc2cccc(Cl)c2)[nH+]1 ZINC000067788972 1030885925 /nfs/dbraw/zinc/88/59/25/1030885925.db2.gz ZMVCTIKQJPFFJK-UHFFFAOYSA-N 1 2 347.842 3.779 20 0 EHADLO C[C@H]1CC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000172374398 1030949343 /nfs/dbraw/zinc/94/93/43/1030949343.db2.gz DYPVKVGKFGUDRP-MCPYQZEQSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527534224 1030953228 /nfs/dbraw/zinc/95/32/28/1030953228.db2.gz FWELWCSANMORHW-LJQANCHMSA-N 1 2 345.874 3.941 20 0 EHADLO Cc1nn(C)c(C[N@H+](C)CCC2CCCCC2)c1Br ZINC000448342168 1030959363 /nfs/dbraw/zinc/95/93/63/1030959363.db2.gz DATRLOQVNFHJPX-UHFFFAOYSA-N 1 2 328.298 3.893 20 0 EHADLO Cc1nn(C)c(C[N@@H+](C)CCC2CCCCC2)c1Br ZINC000448342168 1030959380 /nfs/dbraw/zinc/95/93/80/1030959380.db2.gz DATRLOQVNFHJPX-UHFFFAOYSA-N 1 2 328.298 3.893 20 0 EHADLO Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1N(C)C ZINC000098026204 1030993199 /nfs/dbraw/zinc/99/31/99/1030993199.db2.gz ASKFQFGDPIABJU-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO CN(C)c1ccccc1C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483247523 1031056140 /nfs/dbraw/zinc/05/61/40/1031056140.db2.gz BLVVVNMRAZIQTL-HNNXBMFYSA-N 1 2 339.266 3.883 20 0 EHADLO CCCc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000476908894 1031065325 /nfs/dbraw/zinc/06/53/25/1031065325.db2.gz NPNHNKNROCSVCG-UHFFFAOYSA-N 1 2 341.436 3.830 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527641369 1031067377 /nfs/dbraw/zinc/06/73/77/1031067377.db2.gz AGJFXOKYAQRDIK-UHFFFAOYSA-N 1 2 342.468 3.621 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527644818 1031072746 /nfs/dbraw/zinc/07/27/46/1031072746.db2.gz IOOPBARYHYCUNW-UHFFFAOYSA-N 1 2 331.160 3.622 20 0 EHADLO COC1(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000483279985 1031082244 /nfs/dbraw/zinc/08/22/44/1031082244.db2.gz IPYJKIRBPNBHOK-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000483279985 1031082248 /nfs/dbraw/zinc/08/22/48/1031082248.db2.gz IPYJKIRBPNBHOK-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000551183532 1031089995 /nfs/dbraw/zinc/08/99/95/1031089995.db2.gz MVYZWXSHCZZRAT-GOSISDBHSA-N 1 2 335.373 3.772 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1ncc(Br)cc1F ZINC000527673741 1031107368 /nfs/dbraw/zinc/10/73/68/1031107368.db2.gz OFZZNUJBFPPVKP-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000476957269 1031124403 /nfs/dbraw/zinc/12/44/03/1031124403.db2.gz YVOGKJQNYVEJNF-LJQANCHMSA-N 1 2 335.451 3.856 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000483358553 1031125202 /nfs/dbraw/zinc/12/52/02/1031125202.db2.gz MNAAARUXFUILSF-KRWDZBQOSA-N 1 2 326.444 3.622 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173937860 1031135608 /nfs/dbraw/zinc/13/56/08/1031135608.db2.gz NHQZSKCAUVATHI-ZIAGYGMSSA-N 1 2 338.411 3.865 20 0 EHADLO CC(C)Oc1cc(Cl)c(C[NH2+]Cc2ccn(C)n2)cc1Cl ZINC000527687215 1031151408 /nfs/dbraw/zinc/15/14/08/1031151408.db2.gz RVYAUENGXAUNIG-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043472 1031158073 /nfs/dbraw/zinc/15/80/73/1031158073.db2.gz AMUANYMWCVCJGV-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043472 1031158087 /nfs/dbraw/zinc/15/80/87/1031158087.db2.gz AMUANYMWCVCJGV-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO CCC[N@H+](Cc1ccc(Br)o1)[C@H](CC)C(=O)OCC ZINC000483432255 1031165957 /nfs/dbraw/zinc/16/59/57/1031165957.db2.gz HKOWKAWKBFZCPW-GFCCVEGCSA-N 1 2 332.238 3.596 20 0 EHADLO CCC[N@@H+](Cc1ccc(Br)o1)[C@H](CC)C(=O)OCC ZINC000483432255 1031165965 /nfs/dbraw/zinc/16/59/65/1031165965.db2.gz HKOWKAWKBFZCPW-GFCCVEGCSA-N 1 2 332.238 3.596 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000483431870 1031166118 /nfs/dbraw/zinc/16/61/18/1031166118.db2.gz NERKMZBXVMFGMW-CYBMUJFWSA-N 1 2 331.485 3.943 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000483431870 1031166128 /nfs/dbraw/zinc/16/61/28/1031166128.db2.gz NERKMZBXVMFGMW-CYBMUJFWSA-N 1 2 331.485 3.943 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCC1 ZINC000483443487 1031174661 /nfs/dbraw/zinc/17/46/61/1031174661.db2.gz XIJLOAYSWXRJKW-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCC1 ZINC000483443487 1031174672 /nfs/dbraw/zinc/17/46/72/1031174672.db2.gz XIJLOAYSWXRJKW-JTQLQIEISA-N 1 2 333.325 3.761 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)CC)nc3)CCO2)cc1 ZINC000483444325 1031175234 /nfs/dbraw/zinc/17/52/34/1031175234.db2.gz YPXPNVQTVUBGTN-HXUWFJFHSA-N 1 2 339.483 3.674 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(N(C)CC)nc3)CCO2)cc1 ZINC000483444325 1031175245 /nfs/dbraw/zinc/17/52/45/1031175245.db2.gz YPXPNVQTVUBGTN-HXUWFJFHSA-N 1 2 339.483 3.674 20 0 EHADLO CC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174210226 1031177104 /nfs/dbraw/zinc/17/71/04/1031177104.db2.gz PRTUGEXQVLSTQJ-HOTGVXAUSA-N 1 2 326.444 3.765 20 0 EHADLO C[C@H]1CCN(Cc2ccc(Cl)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000278512701 1031192249 /nfs/dbraw/zinc/19/22/49/1031192249.db2.gz BPGSFHKJCMJXBS-AAEUAGOBSA-N 1 2 325.243 3.668 20 0 EHADLO Cc1nocc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527750620 1031203130 /nfs/dbraw/zinc/20/31/30/1031203130.db2.gz AZPCZSGAZYFWDF-MRVPVSSYSA-N 1 2 331.160 3.875 20 0 EHADLO O=C(COC/C=C\c1ccccc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000477049972 1031203210 /nfs/dbraw/zinc/20/32/10/1031203210.db2.gz NVTMOEZGYJBBEF-DAXSKMNVSA-N 1 2 333.391 3.745 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1Cl ZINC000278516283 1031204196 /nfs/dbraw/zinc/20/41/96/1031204196.db2.gz PNEJKTJJZVSWJE-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2CC(c3ccccc3)C2)c2cn[nH]n2)cc1 ZINC000551304558 1031206884 /nfs/dbraw/zinc/20/68/84/1031206884.db2.gz IWZACTICANKQHJ-CODVMQSSSA-N 1 2 336.414 3.817 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC2CC(c3ccccc3)C2)c2c[nH]nn2)cc1 ZINC000551304558 1031206896 /nfs/dbraw/zinc/20/68/96/1031206896.db2.gz IWZACTICANKQHJ-CODVMQSSSA-N 1 2 336.414 3.817 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ncc(C)o1)C(C)(C)C ZINC000132028904 1031217233 /nfs/dbraw/zinc/21/72/33/1031217233.db2.gz JOEMZHANVGPBOT-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ncc(C)o1)C(C)(C)C ZINC000132028904 1031217247 /nfs/dbraw/zinc/21/72/47/1031217247.db2.gz JOEMZHANVGPBOT-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccccc1C(F)(F)F ZINC000483538740 1031219950 /nfs/dbraw/zinc/21/99/50/1031219950.db2.gz UHTZMNIRYPDMLD-UHFFFAOYSA-N 1 2 336.304 3.621 20 0 EHADLO CC(C)(C)c1nsc(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000158321327 1031257135 /nfs/dbraw/zinc/25/71/35/1031257135.db2.gz BBWVKWWEKSUPCK-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000483649272 1031258004 /nfs/dbraw/zinc/25/80/04/1031258004.db2.gz DVDUNFVJNXUXNL-QFIPXVFZSA-N 1 2 349.430 3.998 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000483649272 1031258012 /nfs/dbraw/zinc/25/80/12/1031258012.db2.gz DVDUNFVJNXUXNL-QFIPXVFZSA-N 1 2 349.430 3.998 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CC23CCCCC3)c1)[NH+]1CCOCC1 ZINC000477109794 1031262489 /nfs/dbraw/zinc/26/24/89/1031262489.db2.gz DLBXNXJPUZRLOQ-LPHOPBHVSA-N 1 2 342.483 3.989 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000175204608 1031309884 /nfs/dbraw/zinc/30/98/84/1031309884.db2.gz JZSWCGWJIBTOLF-UHFFFAOYSA-N 1 2 339.464 3.881 20 0 EHADLO Cc1ccccc1C(=O)NC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527842680 1031314111 /nfs/dbraw/zinc/31/41/11/1031314111.db2.gz AGFIBBALBZRMHM-UHFFFAOYSA-N 1 2 345.446 3.942 20 0 EHADLO CCOc1ccc(C2(CNc3[nH+]cccc3OC)CCOCC2)cc1 ZINC000527857327 1031333936 /nfs/dbraw/zinc/33/39/36/1031333936.db2.gz AFLIQYJBSVHBEG-UHFFFAOYSA-N 1 2 342.439 3.649 20 0 EHADLO COc1ccc[nH+]c1N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000527868072 1031352996 /nfs/dbraw/zinc/35/29/96/1031352996.db2.gz LLJYHUQUUOJLLY-MRXNPFEDSA-N 1 2 332.407 3.517 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868849 1031355551 /nfs/dbraw/zinc/35/55/51/1031355551.db2.gz MURLPBPMSMWDOG-IFXJQAMLSA-N 1 2 339.414 3.610 20 0 EHADLO FC(F)(F)c1cnc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000060296314 1031368347 /nfs/dbraw/zinc/36/83/47/1031368347.db2.gz IVFBKKVFWGJIJZ-UHFFFAOYSA-N 1 2 330.741 3.792 20 0 EHADLO Cc1cc(C(=O)NC2CCN(c3[nH+]ccc4ccccc43)CC2)c(C)o1 ZINC000527881877 1031372176 /nfs/dbraw/zinc/37/21/76/1031372176.db2.gz QQBJWIUOAXYJQK-UHFFFAOYSA-N 1 2 349.434 3.843 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175736801 1031373518 /nfs/dbraw/zinc/37/35/18/1031373518.db2.gz JEQBCUJALKOHMZ-OXQOHEQNSA-N 1 2 331.419 3.891 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000175850112 1031390635 /nfs/dbraw/zinc/39/06/35/1031390635.db2.gz SQBLECUPVPWCJR-UZLBHIALSA-N 1 2 346.434 3.775 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635396973 1031399415 /nfs/dbraw/zinc/39/94/15/1031399415.db2.gz ZZYLQMXLMJYYLZ-ZDUSSCGKSA-N 1 2 325.334 3.886 20 0 EHADLO O=C(NCc1ccncc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278569889 1031415902 /nfs/dbraw/zinc/41/59/02/1031415902.db2.gz JEYZGAHUQCZWOY-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448681570 1031417879 /nfs/dbraw/zinc/41/78/79/1031417879.db2.gz QIAKBJJBUCEVGO-OALUTQOASA-N 1 2 325.456 3.764 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000484011573 1031431677 /nfs/dbraw/zinc/43/16/77/1031431677.db2.gz RMZQEVFPEOGBMH-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000484011573 1031431689 /nfs/dbraw/zinc/43/16/89/1031431689.db2.gz RMZQEVFPEOGBMH-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO CCN(C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1)CC(F)(F)F ZINC000527914068 1031447983 /nfs/dbraw/zinc/44/79/83/1031447983.db2.gz QCDXBELBVOCMRI-CQSZACIVSA-N 1 2 337.389 3.945 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccccc1OC1CCCCC1 ZINC000475719617 1031510517 /nfs/dbraw/zinc/51/05/17/1031510517.db2.gz UESXQYJORFGJGM-UHFFFAOYSA-N 1 2 349.434 3.976 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347426039 1031514013 /nfs/dbraw/zinc/51/40/13/1031514013.db2.gz HGAAKMWAOAZUFO-HOCLYGCPSA-N 1 2 345.874 3.658 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347426859 1031514102 /nfs/dbraw/zinc/51/41/02/1031514102.db2.gz ITXYWCHEVZCJAI-NVXWUHKLSA-N 1 2 343.446 3.534 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347426042 1031514901 /nfs/dbraw/zinc/51/49/01/1031514901.db2.gz HGAAKMWAOAZUFO-ZBFHGGJFSA-N 1 2 345.874 3.658 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H]1C ZINC000448726390 1031514930 /nfs/dbraw/zinc/51/49/30/1031514930.db2.gz QTCANOCQIKGXMJ-SOLBZPMBSA-N 1 2 329.488 3.760 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000528035771 1031616788 /nfs/dbraw/zinc/61/67/88/1031616788.db2.gz KVSHZPLDCQFDHA-NUJGCVRESA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000347462484 1031646855 /nfs/dbraw/zinc/64/68/55/1031646855.db2.gz GZVJKULFFUHOKR-HIFRSBDPSA-N 1 2 331.847 3.583 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000448772642 1031661702 /nfs/dbraw/zinc/66/17/02/1031661702.db2.gz UMYUITZWCZSRDT-ZDUSSCGKSA-N 1 2 339.505 3.517 20 0 EHADLO CC(C)OC(C)(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000448772642 1031661708 /nfs/dbraw/zinc/66/17/08/1031661708.db2.gz UMYUITZWCZSRDT-ZDUSSCGKSA-N 1 2 339.505 3.517 20 0 EHADLO CC[C@H](SC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178523642 1031675419 /nfs/dbraw/zinc/67/54/19/1031675419.db2.gz QBBXNTCJRMUBLU-INIZCTEOSA-N 1 2 329.469 3.967 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(C(F)F)c1 ZINC000635470332 1031705972 /nfs/dbraw/zinc/70/59/72/1031705972.db2.gz CLTTWUSVBUHFLF-NSHDSACASA-N 1 2 333.260 3.953 20 0 EHADLO CCS[C@H](C)c1noc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904098275 1031724560 /nfs/dbraw/zinc/72/45/60/1031724560.db2.gz RUXGYHBSCLXEJX-LDYMZIIASA-N 1 2 342.262 3.694 20 0 EHADLO CCO[C@H](c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1)C(C)C ZINC000904120239 1031753576 /nfs/dbraw/zinc/75/35/76/1031753576.db2.gz VFJZLZLOZZLTTJ-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117582789 1031758580 /nfs/dbraw/zinc/75/85/80/1031758580.db2.gz QQUGHEAMPURSFI-HNNXBMFYSA-N 1 2 335.407 3.680 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117582787 1031758738 /nfs/dbraw/zinc/75/87/38/1031758738.db2.gz QQUGHEAMPURSFI-OAHLLOKOSA-N 1 2 335.407 3.680 20 0 EHADLO CCCn1cc(CNc2[nH+]c3ccccc3n2CCCOCC)cn1 ZINC000158971642 1031764817 /nfs/dbraw/zinc/76/48/17/1031764817.db2.gz QIDNDFNSOCKEHB-UHFFFAOYSA-N 1 2 341.459 3.682 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1csc(-c2ccccc2)n1 ZINC000666101063 1031765459 /nfs/dbraw/zinc/76/54/59/1031765459.db2.gz HASGIDNRLYGDSI-ZDUSSCGKSA-N 1 2 329.469 3.520 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1nc(C(F)(F)F)cs1 ZINC000278637724 1031773689 /nfs/dbraw/zinc/77/36/89/1031773689.db2.gz FWPVMNAJWKRPEF-SSDOTTSWSA-N 1 2 336.408 3.535 20 0 EHADLO CCCCOc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001211610172 1031782135 /nfs/dbraw/zinc/78/21/35/1031782135.db2.gz IVZCZGGUXTUJGP-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccoc1 ZINC000179555455 1031785483 /nfs/dbraw/zinc/78/54/83/1031785483.db2.gz CNDZVPYQGLIKNF-DOPJRALCSA-N 1 2 334.847 3.656 20 0 EHADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccoc1 ZINC000179555455 1031785496 /nfs/dbraw/zinc/78/54/96/1031785496.db2.gz CNDZVPYQGLIKNF-DOPJRALCSA-N 1 2 334.847 3.656 20 0 EHADLO Cc1ccccc1C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117644996 1031786597 /nfs/dbraw/zinc/78/65/97/1031786597.db2.gz RFXIQWTVBAKHJR-UHFFFAOYSA-N 1 2 331.419 3.642 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117673296 1031792783 /nfs/dbraw/zinc/79/27/83/1031792783.db2.gz RHPJTVLONIPZPT-QFBILLFUSA-N 1 2 331.419 3.891 20 0 EHADLO CC(C)[C@@H]1C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000923888268 1031794122 /nfs/dbraw/zinc/79/41/22/1031794122.db2.gz MMZDQSHYSWRMCW-WBVHZDCISA-N 1 2 338.411 3.841 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000179867438 1031816043 /nfs/dbraw/zinc/81/60/43/1031816043.db2.gz SGIZPYQSXPAPKQ-OAHLLOKOSA-N 1 2 345.414 3.634 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000179867438 1031816060 /nfs/dbraw/zinc/81/60/60/1031816060.db2.gz SGIZPYQSXPAPKQ-OAHLLOKOSA-N 1 2 345.414 3.634 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cc2cnccc2o1 ZINC000657831418 1031827325 /nfs/dbraw/zinc/82/73/25/1031827325.db2.gz XXGKAEDFQCEUEM-OLZOCXBDSA-N 1 2 325.416 3.558 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117750279 1031847296 /nfs/dbraw/zinc/84/72/96/1031847296.db2.gz NMSWXTAUKLWZDU-ZIAGYGMSSA-N 1 2 337.345 3.723 20 0 EHADLO Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117749786 1031848415 /nfs/dbraw/zinc/84/84/15/1031848415.db2.gz AVTUJAYZHSWXQI-HXUWFJFHSA-N 1 2 348.450 3.968 20 0 EHADLO C[C@H]1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1 ZINC000180401708 1031849392 /nfs/dbraw/zinc/84/93/92/1031849392.db2.gz CAKMSDQCMQWHHO-BYICEURKSA-N 1 2 330.472 3.530 20 0 EHADLO Cc1noc(CCC[N@H+](CCc2ccccc2)c2ccc(O)cc2)n1 ZINC000477762248 1031857219 /nfs/dbraw/zinc/85/72/19/1031857219.db2.gz SAQXOPQPLAJLPW-UHFFFAOYSA-N 1 2 337.423 3.766 20 0 EHADLO Cc1noc(CCC[N@@H+](CCc2ccccc2)c2ccc(O)cc2)n1 ZINC000477762248 1031857236 /nfs/dbraw/zinc/85/72/36/1031857236.db2.gz SAQXOPQPLAJLPW-UHFFFAOYSA-N 1 2 337.423 3.766 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(Cc2ccc(SC3CC3)cc2)n1 ZINC000904264653 1031890587 /nfs/dbraw/zinc/89/05/87/1031890587.db2.gz MQHJXRUJLVQMQQ-UHFFFAOYSA-N 1 2 338.436 3.868 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CC2CCC(C(F)(F)F)CC2)n1 ZINC000904260610 1031904906 /nfs/dbraw/zinc/90/49/06/1031904906.db2.gz QTCLKLXBLIWSKX-UHFFFAOYSA-N 1 2 340.349 3.933 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)CCc2ccccc2F)n1 ZINC000904261126 1031905161 /nfs/dbraw/zinc/90/51/61/1031905161.db2.gz WJCCQGFOIFDTOS-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000180890931 1031921938 /nfs/dbraw/zinc/92/19/38/1031921938.db2.gz FHTMJIOAMUIXQM-ZIAGYGMSSA-N 1 2 338.411 3.690 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(F)F ZINC000460688082 1031960180 /nfs/dbraw/zinc/96/01/80/1031960180.db2.gz CFVGVGWXMFFXBZ-IAQYHMDHSA-N 1 2 331.366 3.726 20 0 EHADLO C[N@H+](Cc1cnc(CCc2ccccc2)s1)Cc1cccc(=O)[nH]1 ZINC000897391737 1032002156 /nfs/dbraw/zinc/00/21/56/1032002156.db2.gz ZJERRCPUNSTYHF-UHFFFAOYSA-N 1 2 339.464 3.661 20 0 EHADLO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)Cc1cccc(=O)[nH]1 ZINC000897391737 1032002175 /nfs/dbraw/zinc/00/21/75/1032002175.db2.gz ZJERRCPUNSTYHF-UHFFFAOYSA-N 1 2 339.464 3.661 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000118050800 1032018247 /nfs/dbraw/zinc/01/82/47/1032018247.db2.gz LMXZRVNPGVAYRV-UHFFFAOYSA-N 1 2 348.450 3.748 20 0 EHADLO C[N@H+](Cc1ccncc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000449013892 1032025557 /nfs/dbraw/zinc/02/55/57/1032025557.db2.gz MZXAARVCLCNOAG-JKSUJKDBSA-N 1 2 341.213 3.618 20 0 EHADLO C[N@@H+](Cc1ccncc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000449013892 1032025573 /nfs/dbraw/zinc/02/55/73/1032025573.db2.gz MZXAARVCLCNOAG-JKSUJKDBSA-N 1 2 341.213 3.618 20 0 EHADLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727702 1032030042 /nfs/dbraw/zinc/03/00/42/1032030042.db2.gz XDVNCSWSMFXPEX-DYVFJYSZSA-N 1 2 343.298 3.851 20 0 EHADLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000429727702 1032030055 /nfs/dbraw/zinc/03/00/55/1032030055.db2.gz XDVNCSWSMFXPEX-DYVFJYSZSA-N 1 2 343.298 3.851 20 0 EHADLO C[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000182035079 1032053209 /nfs/dbraw/zinc/05/32/09/1032053209.db2.gz ZVTYPPLAUMAECY-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO C[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000182035079 1032053223 /nfs/dbraw/zinc/05/32/23/1032053223.db2.gz ZVTYPPLAUMAECY-SFHVURJKSA-N 1 2 346.858 3.925 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449009723 1032053727 /nfs/dbraw/zinc/05/37/27/1032053727.db2.gz PNBUDAQHBZGYPF-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449009723 1032053747 /nfs/dbraw/zinc/05/37/47/1032053747.db2.gz PNBUDAQHBZGYPF-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056480 1033312250 /nfs/dbraw/zinc/31/22/50/1033312250.db2.gz NZYHHGMSNWSTAG-CQSZACIVSA-N 1 2 328.378 3.634 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056480 1033312265 /nfs/dbraw/zinc/31/22/65/1033312265.db2.gz NZYHHGMSNWSTAG-CQSZACIVSA-N 1 2 328.378 3.634 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc(F)c(F)c4)no3)[nH+]c12 ZINC000598662576 1033362150 /nfs/dbraw/zinc/36/21/50/1033362150.db2.gz VOECVPMIACULNZ-UHFFFAOYSA-N 1 2 326.306 3.562 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487367 1033369724 /nfs/dbraw/zinc/36/97/24/1033369724.db2.gz CMPBILKFEJKDLD-NWDGAFQWSA-N 1 2 328.551 3.802 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(C(C)(C)C)[nH]c2=S)C1 ZINC000173487367 1033369728 /nfs/dbraw/zinc/36/97/28/1033369728.db2.gz CMPBILKFEJKDLD-NWDGAFQWSA-N 1 2 328.551 3.802 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccc(Cl)n1)C[C@@H]1CCCO1 ZINC000173522965 1033399324 /nfs/dbraw/zinc/39/93/24/1033399324.db2.gz ZYRWSRHIGSIGKC-KRWDZBQOSA-N 1 2 346.858 3.925 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccc(Cl)n1)C[C@@H]1CCCO1 ZINC000173522965 1033399340 /nfs/dbraw/zinc/39/93/40/1033399340.db2.gz ZYRWSRHIGSIGKC-KRWDZBQOSA-N 1 2 346.858 3.925 20 0 EHADLO CC[C@@](C)([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc(C)cs1 ZINC000136462048 1033409797 /nfs/dbraw/zinc/40/97/97/1033409797.db2.gz ABHMDIBGEXQODJ-QGZVFWFLSA-N 1 2 336.432 3.792 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2cnn(CC)c21 ZINC001143600588 1033440981 /nfs/dbraw/zinc/44/09/81/1033440981.db2.gz XIUREYNIQDIEKX-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2cnn(CC)c21 ZINC001143600588 1033440998 /nfs/dbraw/zinc/44/09/98/1033440998.db2.gz XIUREYNIQDIEKX-MRXNPFEDSA-N 1 2 349.425 3.626 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000594632276 1033469744 /nfs/dbraw/zinc/46/97/44/1033469744.db2.gz OFQQHQUTOPXDNF-LJQANCHMSA-N 1 2 336.439 3.898 20 0 EHADLO COC(=O)c1cc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c(C)o1 ZINC000594608892 1033475297 /nfs/dbraw/zinc/47/52/97/1033475297.db2.gz MSCZKQJLJRFATI-UHFFFAOYSA-N 1 2 340.379 3.628 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc2[nH+]ccn21 ZINC000460332617 1033498831 /nfs/dbraw/zinc/49/88/31/1033498831.db2.gz DLSDIOHJCHKHOO-BZUAXINKSA-N 1 2 329.444 3.750 20 0 EHADLO C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000449962103 1033501317 /nfs/dbraw/zinc/50/13/17/1033501317.db2.gz XJJHZPHCTIJDOJ-QXAKKESOSA-N 1 2 325.456 3.609 20 0 EHADLO CCSCc1cc[nH+]c(NCc2c(C(F)(F)F)cnn2C)c1 ZINC000594735221 1033507359 /nfs/dbraw/zinc/50/73/59/1033507359.db2.gz OJIBDTDHPHXDON-UHFFFAOYSA-N 1 2 330.379 3.699 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccc(C(=O)OC)c(F)c2)c1 ZINC000594735144 1033507678 /nfs/dbraw/zinc/50/76/78/1033507678.db2.gz LITHACOKKVEZOJ-UHFFFAOYSA-N 1 2 334.416 3.873 20 0 EHADLO O[C@@H]1CC[C@@H]2CN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C[C@@H]2C1 ZINC000413576685 1033632874 /nfs/dbraw/zinc/63/28/74/1033632874.db2.gz MFAAKTOHICRNSE-VNHYZAJKSA-N 1 2 336.357 3.851 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000107179588 1033650497 /nfs/dbraw/zinc/65/04/97/1033650497.db2.gz VDJSHPJYPCXTIG-UXHICEINSA-N 1 2 349.478 3.882 20 0 EHADLO Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107180554 1033651297 /nfs/dbraw/zinc/65/12/97/1033651297.db2.gz KDQOUUQGGUKMDF-UHFFFAOYSA-N 1 2 337.467 3.629 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C(F)F)nc2)s1 ZINC000595045029 1033662230 /nfs/dbraw/zinc/66/22/30/1033662230.db2.gz QIQDOHRFFLIUSG-BDAKNGLRSA-N 1 2 341.383 3.674 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(OC)c3)CCC2)s1 ZINC000595093019 1033701960 /nfs/dbraw/zinc/70/19/60/1033701960.db2.gz DOLZBEOHFXRSGY-GFCCVEGCSA-N 1 2 346.452 3.668 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655768644 1033740413 /nfs/dbraw/zinc/74/04/13/1033740413.db2.gz LBZFQMXOFVAREH-CYBMUJFWSA-N 1 2 331.288 3.805 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046341940 1033757147 /nfs/dbraw/zinc/75/71/47/1033757147.db2.gz XIPZOVFDEKKRBX-IRXDYDNUSA-N 1 2 338.451 3.857 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)c2nnc[nH]2)cc1 ZINC000550629820 1033775300 /nfs/dbraw/zinc/77/53/00/1033775300.db2.gz YHISSEOTSNZJIJ-XCLWGWTNSA-N 1 2 340.446 3.695 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@](C)(CO)c3ccccc3)cs2)o1 ZINC000599172281 1033784547 /nfs/dbraw/zinc/78/45/47/1033784547.db2.gz OTOPAPNKTPDBJM-GOSISDBHSA-N 1 2 328.437 3.709 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000472351985 1033789129 /nfs/dbraw/zinc/78/91/29/1033789129.db2.gz SAJMPFNIILJPEB-MSOLQXFVSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000472351985 1033789144 /nfs/dbraw/zinc/78/91/44/1033789144.db2.gz SAJMPFNIILJPEB-MSOLQXFVSA-N 1 2 341.455 3.563 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(Cl)c1)c1ncnn1C ZINC000657989584 1033815946 /nfs/dbraw/zinc/81/59/46/1033815946.db2.gz OCNDEHDICZSHFT-DTWKUNHWSA-N 1 2 343.656 3.643 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000655779604 1033839723 /nfs/dbraw/zinc/83/97/23/1033839723.db2.gz ONAXNZJCXYBIAQ-MLGOLLRUSA-N 1 2 341.846 3.826 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(C)cccc3C2)cc1 ZINC000170922205 1033840896 /nfs/dbraw/zinc/84/08/96/1033840896.db2.gz UYANYTXDYPODAW-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000170922205 1033840913 /nfs/dbraw/zinc/84/09/13/1033840913.db2.gz UYANYTXDYPODAW-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO O=C(CSc1ccccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120458493 1033842413 /nfs/dbraw/zinc/84/24/13/1033842413.db2.gz QWUFUGGQQNETHX-CQSZACIVSA-N 1 2 348.855 3.507 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C(C)(C)C)C[C@H]3C)[nH+]c12 ZINC000575087082 1033871144 /nfs/dbraw/zinc/87/11/44/1033871144.db2.gz LQBAPRIWIXNJCO-CVEARBPZSA-N 1 2 327.472 3.858 20 0 EHADLO Cc1ccc(-c2nc(CNC(=O)Nc3ccc4[nH+]ccn4c3)co2)cc1 ZINC000608771151 1033880734 /nfs/dbraw/zinc/88/07/34/1033880734.db2.gz KYUQBZXHKYINFA-UHFFFAOYSA-N 1 2 347.378 3.619 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000084069499 1033904879 /nfs/dbraw/zinc/90/48/79/1033904879.db2.gz VLSJFYKNQOZOAZ-AWEZNQCLSA-N 1 2 329.469 3.839 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000084069499 1033904886 /nfs/dbraw/zinc/90/48/86/1033904886.db2.gz VLSJFYKNQOZOAZ-AWEZNQCLSA-N 1 2 329.469 3.839 20 0 EHADLO CC(C)SCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000603759623 1033915488 /nfs/dbraw/zinc/91/54/88/1033915488.db2.gz HXHHMOIYJDENAK-UHFFFAOYSA-N 1 2 329.469 3.967 20 0 EHADLO C[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(OC(F)F)cc1 ZINC000450218250 1033920823 /nfs/dbraw/zinc/92/08/23/1033920823.db2.gz UUHFKIKOVCXXAW-UHFFFAOYSA-N 1 2 349.303 3.679 20 0 EHADLO C[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(OC(F)F)cc1 ZINC000450218250 1033920839 /nfs/dbraw/zinc/92/08/39/1033920839.db2.gz UUHFKIKOVCXXAW-UHFFFAOYSA-N 1 2 349.303 3.679 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+]Cc1occc1Br ZINC000227365161 1033952134 /nfs/dbraw/zinc/95/21/34/1033952134.db2.gz SLHJNCTYHKJOKA-UHFFFAOYSA-N 1 2 332.144 3.933 20 0 EHADLO C[C@H]([NH2+]Cc1occc1Br)c1ccc2c(c1)OCCO2 ZINC000227364127 1033952279 /nfs/dbraw/zinc/95/22/79/1033952279.db2.gz AYZPDPIEYYHULS-JTQLQIEISA-N 1 2 338.201 3.664 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2occc2Br)c(OC)c1 ZINC000227366556 1033958091 /nfs/dbraw/zinc/95/80/91/1033958091.db2.gz XVSZWHRHBJKLEH-JTQLQIEISA-N 1 2 340.217 3.910 20 0 EHADLO FC(F)(F)COCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450236837 1033960018 /nfs/dbraw/zinc/96/00/18/1033960018.db2.gz GRJRZWWPXQYHFH-UHFFFAOYSA-N 1 2 338.251 3.666 20 0 EHADLO CN(CCCOc1ccc(F)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000599497663 1033961609 /nfs/dbraw/zinc/96/16/09/1033961609.db2.gz ZFRMSHJNEHEWRA-UHFFFAOYSA-N 1 2 344.434 3.511 20 0 EHADLO CN(CCCOc1ccc(F)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000599497663 1033961621 /nfs/dbraw/zinc/96/16/21/1033961621.db2.gz ZFRMSHJNEHEWRA-UHFFFAOYSA-N 1 2 344.434 3.511 20 0 EHADLO Cn1cnnc1C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450246783 1033985652 /nfs/dbraw/zinc/98/56/52/1033985652.db2.gz LTXBTQZWVFCVJX-UHFFFAOYSA-N 1 2 345.809 3.540 20 0 EHADLO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881273 1034006712 /nfs/dbraw/zinc/00/67/12/1034006712.db2.gz BDIODSZNAVXBAX-SNVBAGLBSA-N 1 2 333.750 3.533 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599589402 1034027478 /nfs/dbraw/zinc/02/74/78/1034027478.db2.gz SIVUCEIZMHNBOZ-IHRRRGAJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599589402 1034027488 /nfs/dbraw/zinc/02/74/88/1034027488.db2.gz SIVUCEIZMHNBOZ-IHRRRGAJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1cccnc1 ZINC000595913099 1034029222 /nfs/dbraw/zinc/02/92/22/1034029222.db2.gz BZFSNNUMGMZJCI-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1cccnc1 ZINC000595913099 1034029234 /nfs/dbraw/zinc/02/92/34/1034029234.db2.gz BZFSNNUMGMZJCI-LJQANCHMSA-N 1 2 338.451 3.565 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000056555868 1034036299 /nfs/dbraw/zinc/03/62/99/1034036299.db2.gz ACOCTPVCGNCJRS-IBGZPJMESA-N 1 2 334.423 3.583 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1F ZINC000658227039 1034084360 /nfs/dbraw/zinc/08/43/60/1034084360.db2.gz GLRRSQUZLZLVEJ-AWEZNQCLSA-N 1 2 328.387 3.765 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)c1F ZINC000658226523 1034085416 /nfs/dbraw/zinc/08/54/16/1034085416.db2.gz CPBNCPKAYCVXCD-HNNXBMFYSA-N 1 2 330.403 3.850 20 0 EHADLO COc1ccnc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c1F ZINC000658228652 1034090601 /nfs/dbraw/zinc/09/06/01/1034090601.db2.gz VIXMSXSJCGTUJB-ZDUSSCGKSA-N 1 2 336.794 3.886 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000596184808 1034101373 /nfs/dbraw/zinc/10/13/73/1034101373.db2.gz JLGRWMRLADYKKA-OAHLLOKOSA-N 1 2 346.814 3.776 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000596186617 1034102819 /nfs/dbraw/zinc/10/28/19/1034102819.db2.gz LOSDGWFNVFTGCS-INIZCTEOSA-N 1 2 342.414 3.710 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000119230736 1034117914 /nfs/dbraw/zinc/11/79/14/1034117914.db2.gz YUESPSGVTFVJBS-CYBMUJFWSA-N 1 2 332.831 3.775 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000119230736 1034117918 /nfs/dbraw/zinc/11/79/18/1034117918.db2.gz YUESPSGVTFVJBS-CYBMUJFWSA-N 1 2 332.831 3.775 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC[C@H]1F ZINC001231597834 1034128475 /nfs/dbraw/zinc/12/84/75/1034128475.db2.gz IWMPTJSRYPIVGA-VXGBXAGGSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC[C@H]1F ZINC001231597834 1034128484 /nfs/dbraw/zinc/12/84/84/1034128484.db2.gz IWMPTJSRYPIVGA-VXGBXAGGSA-N 1 2 326.626 3.942 20 0 EHADLO Cn1c(C[N@@H+]2Cc3ccccc3C(C)(C)C2)nnc1-c1ccccc1 ZINC000534100119 1034128663 /nfs/dbraw/zinc/12/86/63/1034128663.db2.gz UNYAOTGUCZYKCM-UHFFFAOYSA-N 1 2 332.451 3.776 20 0 EHADLO Cn1c(C[N@H+]2Cc3ccccc3C(C)(C)C2)nnc1-c1ccccc1 ZINC000534100119 1034128679 /nfs/dbraw/zinc/12/86/79/1034128679.db2.gz UNYAOTGUCZYKCM-UHFFFAOYSA-N 1 2 332.451 3.776 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc(-c3ccc(C)o3)n2)[C@H](C)C1 ZINC000599705837 1034131287 /nfs/dbraw/zinc/13/12/87/1034131287.db2.gz IKQSEKGMMQXVGL-VXGBXAGGSA-N 1 2 348.468 3.874 20 0 EHADLO C[C@@H](O)C[C@@H](C)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450348044 1034158910 /nfs/dbraw/zinc/15/89/10/1034158910.db2.gz KQIMZKNVBVZRMI-NXEZZACHSA-N 1 2 341.224 3.955 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)n2c1 ZINC000537615877 1034159186 /nfs/dbraw/zinc/15/91/86/1034159186.db2.gz FHVFBGGJWJTUGC-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@@H]3C)n2c1 ZINC000537615877 1034159194 /nfs/dbraw/zinc/15/91/94/1034159194.db2.gz FHVFBGGJWJTUGC-PXNSSMCTSA-N 1 2 335.451 3.913 20 0 EHADLO Clc1cnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000529554974 1034193109 /nfs/dbraw/zinc/19/31/09/1034193109.db2.gz NYQFNRCISDPNGD-KGLIPLIRSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000529554974 1034193104 /nfs/dbraw/zinc/19/31/04/1034193104.db2.gz NYQFNRCISDPNGD-KGLIPLIRSA-N 1 2 345.668 3.641 20 0 EHADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000604066519 1034194120 /nfs/dbraw/zinc/19/41/20/1034194120.db2.gz PAFUUHLVIPUSSK-SFHVURJKSA-N 1 2 349.434 3.553 20 0 EHADLO C[S@](=O)[C@@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000596376886 1034211740 /nfs/dbraw/zinc/21/17/40/1034211740.db2.gz VCVULEAYNVDYPB-OJLQRUNKSA-N 1 2 344.480 3.762 20 0 EHADLO CCOc1cc(C[N@H+](Cc2ccccn2)C2CC2)c(F)cc1OC ZINC000529566192 1034218305 /nfs/dbraw/zinc/21/83/05/1034218305.db2.gz LARIKELXONIVBY-UHFFFAOYSA-N 1 2 330.403 3.793 20 0 EHADLO CCOc1cc(C[N@@H+](Cc2ccccn2)C2CC2)c(F)cc1OC ZINC000529566192 1034218317 /nfs/dbraw/zinc/21/83/17/1034218317.db2.gz LARIKELXONIVBY-UHFFFAOYSA-N 1 2 330.403 3.793 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000119679905 1034220870 /nfs/dbraw/zinc/22/08/70/1034220870.db2.gz VRQJVVHOCQVBRI-XIKOKIGWSA-N 1 2 342.370 3.607 20 0 EHADLO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000658362769 1034244092 /nfs/dbraw/zinc/24/40/92/1034244092.db2.gz TUKFDEWKGXGEBW-OUJBWJOFSA-N 1 2 330.375 3.935 20 0 EHADLO c1c(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nnn1CC1CC1 ZINC000450386212 1034244816 /nfs/dbraw/zinc/24/48/16/1034244816.db2.gz DSOWGZLLMJQNSQ-QFIPXVFZSA-N 1 2 344.462 3.836 20 0 EHADLO c1c(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)nnn1CC1CC1 ZINC000450386212 1034244833 /nfs/dbraw/zinc/24/48/33/1034244833.db2.gz DSOWGZLLMJQNSQ-QFIPXVFZSA-N 1 2 344.462 3.836 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120961202 1034275505 /nfs/dbraw/zinc/27/55/05/1034275505.db2.gz BZLYVRMYXGZMES-KBXCAEBGSA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120961202 1034275513 /nfs/dbraw/zinc/27/55/13/1034275513.db2.gz BZLYVRMYXGZMES-KBXCAEBGSA-N 1 2 333.453 3.598 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591666 1034307718 /nfs/dbraw/zinc/30/77/18/1034307718.db2.gz JKIOOUIOIMTYMC-QGZVFWFLSA-N 1 2 328.412 3.607 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591666 1034307721 /nfs/dbraw/zinc/30/77/21/1034307721.db2.gz JKIOOUIOIMTYMC-QGZVFWFLSA-N 1 2 328.412 3.607 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1F ZINC000596591192 1034308218 /nfs/dbraw/zinc/30/82/18/1034308218.db2.gz HTEGGAPOVRQSNT-QGZVFWFLSA-N 1 2 328.387 3.590 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1F ZINC000596591192 1034308230 /nfs/dbraw/zinc/30/82/30/1034308230.db2.gz HTEGGAPOVRQSNT-QGZVFWFLSA-N 1 2 328.387 3.590 20 0 EHADLO CSCC1(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)CC1 ZINC000596610769 1034321462 /nfs/dbraw/zinc/32/14/62/1034321462.db2.gz FJFVGJCIMLUSQO-UHFFFAOYSA-N 1 2 340.452 3.667 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000450439951 1034334438 /nfs/dbraw/zinc/33/44/38/1034334438.db2.gz PIYHUSIKZVJHSO-CYBMUJFWSA-N 1 2 348.493 3.544 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000450439951 1034334448 /nfs/dbraw/zinc/33/44/48/1034334448.db2.gz PIYHUSIKZVJHSO-CYBMUJFWSA-N 1 2 348.493 3.544 20 0 EHADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000456352427 1034341592 /nfs/dbraw/zinc/34/15/92/1034341592.db2.gz UYHGPSWBCIPKOE-TZIWHRDSSA-N 1 2 339.483 3.613 20 0 EHADLO Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c(C)c[nH+]1 ZINC000534299996 1034356138 /nfs/dbraw/zinc/35/61/38/1034356138.db2.gz RXUPUBKWMLLKMF-UHFFFAOYSA-N 1 2 339.439 3.666 20 0 EHADLO CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1cccc(O)c1 ZINC000450475123 1034391430 /nfs/dbraw/zinc/39/14/30/1034391430.db2.gz VQUFCQXNLCSRMY-GFCCVEGCSA-N 1 2 327.350 3.734 20 0 EHADLO CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1cccc(O)c1 ZINC000450475123 1034391440 /nfs/dbraw/zinc/39/14/40/1034391440.db2.gz VQUFCQXNLCSRMY-GFCCVEGCSA-N 1 2 327.350 3.734 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c[nH+]1 ZINC000534324220 1034397641 /nfs/dbraw/zinc/39/76/41/1034397641.db2.gz XJEZHLRJIPOKKV-QGZVFWFLSA-N 1 2 337.427 3.515 20 0 EHADLO COc1ccccc1[C@@H](O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000761196320 1034399211 /nfs/dbraw/zinc/39/92/11/1034399211.db2.gz AQGICGCTVMVFAF-INIZCTEOSA-N 1 2 329.444 3.878 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000534325163 1034400024 /nfs/dbraw/zinc/40/00/24/1034400024.db2.gz FPOYPHXRBKVVNF-INIZCTEOSA-N 1 2 347.422 3.883 20 0 EHADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000450495959 1034401803 /nfs/dbraw/zinc/40/18/03/1034401803.db2.gz CKKKFBHOGGEXFN-NEPJUHHUSA-N 1 2 334.514 3.814 20 0 EHADLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000450495959 1034401809 /nfs/dbraw/zinc/40/18/09/1034401809.db2.gz CKKKFBHOGGEXFN-NEPJUHHUSA-N 1 2 334.514 3.814 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000597053100 1034524894 /nfs/dbraw/zinc/52/48/94/1034524894.db2.gz PGWSIMHDXZQYSY-MRXNPFEDSA-N 1 2 341.411 3.738 20 0 EHADLO Cc1csc(C2([NH2+]Cc3ccn(CC(F)(F)F)n3)CCCC2)n1 ZINC000450576328 1034539646 /nfs/dbraw/zinc/53/96/46/1034539646.db2.gz PGGKEUWDUKRPBY-UHFFFAOYSA-N 1 2 344.406 3.769 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC000450655423 1034648548 /nfs/dbraw/zinc/64/85/48/1034648548.db2.gz XBOPNPHDMJBARQ-KRWDZBQOSA-N 1 2 335.451 3.985 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)NC1CCCCCC1 ZINC000605153983 1034649741 /nfs/dbraw/zinc/64/97/41/1034649741.db2.gz GAIYIKOCECKKJG-SFHVURJKSA-N 1 2 332.513 3.616 20 0 EHADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)NC1CCCCCC1 ZINC000605153983 1034649755 /nfs/dbraw/zinc/64/97/55/1034649755.db2.gz GAIYIKOCECKKJG-SFHVURJKSA-N 1 2 332.513 3.616 20 0 EHADLO c1c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)nnn1-c1ccccc1 ZINC000605155792 1034653839 /nfs/dbraw/zinc/65/38/39/1034653839.db2.gz ZQAFEFWFEMYSOV-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO c1c(C[N@H+]2CCS[C@H](c3ccccc3)C2)nnn1-c1ccccc1 ZINC000605155792 1034653840 /nfs/dbraw/zinc/65/38/40/1034653840.db2.gz ZQAFEFWFEMYSOV-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1)c1cccs1 ZINC000605156515 1034654536 /nfs/dbraw/zinc/65/45/36/1034654536.db2.gz XVKXSSTUXZSOFY-YOEHRIQHSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1)c1cccs1 ZINC000605156515 1034654549 /nfs/dbraw/zinc/65/45/49/1034654549.db2.gz XVKXSSTUXZSOFY-YOEHRIQHSA-N 1 2 346.521 3.715 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000534546647 1034658724 /nfs/dbraw/zinc/65/87/24/1034658724.db2.gz VVDQLHGEXYOPKZ-MRXNPFEDSA-N 1 2 340.389 3.838 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000534546647 1034658730 /nfs/dbraw/zinc/65/87/30/1034658730.db2.gz VVDQLHGEXYOPKZ-MRXNPFEDSA-N 1 2 340.389 3.838 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)[C@H](O)c1c(Cl)cccc1Cl ZINC000375842016 1034697982 /nfs/dbraw/zinc/69/79/82/1034697982.db2.gz UJJOEJAJDOTLCB-VAHXTSCQSA-N 1 2 340.254 3.806 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](OCC)[C@@H](C)C1 ZINC000450744343 1034749603 /nfs/dbraw/zinc/74/96/03/1034749603.db2.gz MFKFUAUVPKFOLG-KSSFIOAISA-N 1 2 342.439 3.663 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](OCC)[C@@H](C)C1 ZINC000450744341 1034749797 /nfs/dbraw/zinc/74/97/97/1034749797.db2.gz MFKFUAUVPKFOLG-KBXCAEBGSA-N 1 2 342.439 3.663 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCC(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456839640 1034786558 /nfs/dbraw/zinc/78/65/58/1034786558.db2.gz CXVIGAMONFHTPK-UHFFFAOYSA-N 1 2 330.815 3.631 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(Cc3cccc(F)c3)CCC2)c[nH+]1 ZINC000456841545 1034788547 /nfs/dbraw/zinc/78/85/47/1034788547.db2.gz OXLWBELKUYDUMX-UHFFFAOYSA-N 1 2 326.415 3.867 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278791732 1034789370 /nfs/dbraw/zinc/78/93/70/1034789370.db2.gz OCQOKNGQTHEBGN-UWVGGRQHSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278791732 1034789382 /nfs/dbraw/zinc/78/93/82/1034789382.db2.gz OCQOKNGQTHEBGN-UWVGGRQHSA-N 1 2 336.304 3.566 20 0 EHADLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)ccc1OCC(C)C ZINC000456864829 1034798708 /nfs/dbraw/zinc/79/87/08/1034798708.db2.gz SQORFOZOCBZOPT-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO CC1(C)CCC[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000456874595 1034803013 /nfs/dbraw/zinc/80/30/13/1034803013.db2.gz AKVHMACYMJJLIY-SFHVURJKSA-N 1 2 339.483 3.807 20 0 EHADLO Cc1oc(C)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000669727939 1034819656 /nfs/dbraw/zinc/81/96/56/1034819656.db2.gz JONPHNMELNIGJQ-MRXNPFEDSA-N 1 2 341.455 3.757 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605747602 1034821494 /nfs/dbraw/zinc/82/14/94/1034821494.db2.gz ZXWVWVAOXKOULX-CQSZACIVSA-N 1 2 346.393 3.996 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605747602 1034821512 /nfs/dbraw/zinc/82/15/12/1034821512.db2.gz ZXWVWVAOXKOULX-CQSZACIVSA-N 1 2 346.393 3.996 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000612349305 1034822741 /nfs/dbraw/zinc/82/27/41/1034822741.db2.gz CLLGVCQCDXMHTB-NMLACTOBSA-N 1 2 337.467 3.713 20 0 EHADLO C[C@@H]([NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(CO)on1 ZINC000926661186 1034861046 /nfs/dbraw/zinc/86/10/46/1034861046.db2.gz MPKLZNWPAXUJCV-SNVBAGLBSA-N 1 2 326.318 3.526 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885268 1034913699 /nfs/dbraw/zinc/91/36/99/1034913699.db2.gz AWCDYPWLTRTRNE-WMLDXEAASA-N 1 2 337.389 3.899 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885268 1034913708 /nfs/dbraw/zinc/91/37/08/1034913708.db2.gz AWCDYPWLTRTRNE-WMLDXEAASA-N 1 2 337.389 3.899 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)n1 ZINC000450928613 1034955007 /nfs/dbraw/zinc/95/50/07/1034955007.db2.gz SBIMSACAIDIDFS-QLJPJBMISA-N 1 2 336.844 3.608 20 0 EHADLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc(Cl)c1OC ZINC000375932955 1034957973 /nfs/dbraw/zinc/95/79/73/1034957973.db2.gz PIEOYCAZBZWWLR-UHFFFAOYSA-N 1 2 349.862 3.522 20 0 EHADLO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CCCCO ZINC000303411395 1034962801 /nfs/dbraw/zinc/96/28/01/1034962801.db2.gz XBDINQACMZCCLJ-HNNXBMFYSA-N 1 2 345.270 3.559 20 0 EHADLO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CCCCO ZINC000303411395 1034962808 /nfs/dbraw/zinc/96/28/08/1034962808.db2.gz XBDINQACMZCCLJ-HNNXBMFYSA-N 1 2 345.270 3.559 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCCCC(C)(C)C ZINC000475668471 1035033052 /nfs/dbraw/zinc/03/30/52/1035033052.db2.gz RNUVRAZOGNEQND-UHFFFAOYSA-N 1 2 337.414 3.956 20 0 EHADLO CCOc1ccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000066006667 1035096332 /nfs/dbraw/zinc/09/63/32/1035096332.db2.gz DOMXWSQQJIAFEX-MRXNPFEDSA-N 1 2 346.500 3.683 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(F)cc1F ZINC000066006678 1035096947 /nfs/dbraw/zinc/09/69/47/1035096947.db2.gz UPMJTUWPAWGKCQ-CQSZACIVSA-N 1 2 338.427 3.563 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000376023147 1035137217 /nfs/dbraw/zinc/13/72/17/1035137217.db2.gz IHGPPNWWLHFLKR-CGTJXYLNSA-N 1 2 329.488 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(Cc1ccco1)C(C)C)C2 ZINC000376054698 1035191109 /nfs/dbraw/zinc/19/11/09/1035191109.db2.gz IUCBFBCWOQXBGZ-AWEZNQCLSA-N 1 2 329.444 3.668 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(Cc1ccco1)C(C)C)CC2 ZINC000376054698 1035191115 /nfs/dbraw/zinc/19/11/15/1035191115.db2.gz IUCBFBCWOQXBGZ-AWEZNQCLSA-N 1 2 329.444 3.668 20 0 EHADLO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCOCC2)cc1 ZINC000161603094 1035276223 /nfs/dbraw/zinc/27/62/23/1035276223.db2.gz VTYJGGOIKRIKEA-UHFFFAOYSA-N 1 2 337.398 3.511 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726185 1035330008 /nfs/dbraw/zinc/33/00/08/1035330008.db2.gz PNJQSAYVMLOPKG-ZWKOTPCHSA-N 1 2 329.488 3.905 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612997456 1035344580 /nfs/dbraw/zinc/34/45/80/1035344580.db2.gz YOYBEEFYMPAJHW-VBNZEHGJSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612997456 1035344585 /nfs/dbraw/zinc/34/45/85/1035344585.db2.gz YOYBEEFYMPAJHW-VBNZEHGJSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000892521973 1035401172 /nfs/dbraw/zinc/40/11/72/1035401172.db2.gz LNSMLUBUFBMZNZ-MRVPVSSYSA-N 1 2 330.331 3.741 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000892521974 1035401425 /nfs/dbraw/zinc/40/14/25/1035401425.db2.gz LNSMLUBUFBMZNZ-QMMMGPOBSA-N 1 2 330.331 3.741 20 0 EHADLO Cc1oc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc1C1CC1 ZINC000892522506 1035408931 /nfs/dbraw/zinc/40/89/31/1035408931.db2.gz DIPOMCRWQSXDJH-HNNXBMFYSA-N 1 2 333.819 3.755 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613138790 1035417683 /nfs/dbraw/zinc/41/76/83/1035417683.db2.gz KZLHOMBXMZPEJT-ROUUACIJSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000613138790 1035417685 /nfs/dbraw/zinc/41/76/85/1035417685.db2.gz KZLHOMBXMZPEJT-ROUUACIJSA-N 1 2 348.437 3.797 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)s1 ZINC000414062828 1035424658 /nfs/dbraw/zinc/42/46/58/1035424658.db2.gz DFOKKAXOJHSDGK-ZDUSSCGKSA-N 1 2 348.468 3.815 20 0 EHADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571449021 1035498327 /nfs/dbraw/zinc/49/83/27/1035498327.db2.gz HPDBNCYVFIOKBJ-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000613315264 1035543138 /nfs/dbraw/zinc/54/31/38/1035543138.db2.gz JKAPKIHZHHJVCE-CYBMUJFWSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000613315264 1035543147 /nfs/dbraw/zinc/54/31/47/1035543147.db2.gz JKAPKIHZHHJVCE-CYBMUJFWSA-N 1 2 347.459 3.543 20 0 EHADLO CCOc1ccccc1CNc1[nH+]c2ccccc2n1CCOC ZINC000185850037 1035549296 /nfs/dbraw/zinc/54/92/96/1035549296.db2.gz PWASRNOBLOAZSJ-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376249403 1035584009 /nfs/dbraw/zinc/58/40/09/1035584009.db2.gz IJDNMYBVZGELSV-PBHICJAKSA-N 1 2 341.455 3.537 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457043138 1035652003 /nfs/dbraw/zinc/65/20/03/1035652003.db2.gz HAFCCWIHUZPNGO-GDBMZVCRSA-N 1 2 325.456 3.824 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457043138 1035652009 /nfs/dbraw/zinc/65/20/09/1035652009.db2.gz HAFCCWIHUZPNGO-GDBMZVCRSA-N 1 2 325.456 3.824 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000540768250 1035663142 /nfs/dbraw/zinc/66/31/42/1035663142.db2.gz JEFQNOJXGXJNFN-UHFFFAOYSA-N 1 2 349.377 3.506 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000540768250 1035663154 /nfs/dbraw/zinc/66/31/54/1035663154.db2.gz JEFQNOJXGXJNFN-UHFFFAOYSA-N 1 2 349.377 3.506 20 0 EHADLO O=C(/C=C/c1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492424535 1035775784 /nfs/dbraw/zinc/77/57/84/1035775784.db2.gz ZWITVYOLEKORJM-VMPITWQZSA-N 1 2 341.430 3.754 20 0 EHADLO CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000463755430 1035794797 /nfs/dbraw/zinc/79/47/97/1035794797.db2.gz SQBVBPROMKAREH-SJLPKXTDSA-N 1 2 348.487 3.651 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)s1 ZINC000414171619 1035858473 /nfs/dbraw/zinc/85/84/73/1035858473.db2.gz XNTYGPQBBTZQJI-VXNVDRBHSA-N 1 2 342.873 3.983 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](c3ccccc3)C(F)(F)F)[nH+]c12 ZINC000588364057 1035923375 /nfs/dbraw/zinc/92/33/75/1035923375.db2.gz UVXJOUCGPCOOGQ-INIZCTEOSA-N 1 2 347.340 3.605 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)cc1 ZINC000613460769 1035947011 /nfs/dbraw/zinc/94/70/11/1035947011.db2.gz ZXZGAOPBHDPWLC-OAHLLOKOSA-N 1 2 342.405 3.800 20 0 EHADLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)cc1 ZINC000613460769 1035947016 /nfs/dbraw/zinc/94/70/16/1035947016.db2.gz ZXZGAOPBHDPWLC-OAHLLOKOSA-N 1 2 342.405 3.800 20 0 EHADLO CCc1cc(N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nc(C)[nH+]1 ZINC000541090944 1035975520 /nfs/dbraw/zinc/97/55/20/1035975520.db2.gz RDNVQHXYONFQKG-DNVCBOLYSA-N 1 2 325.456 3.931 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1F ZINC000189154000 1036024197 /nfs/dbraw/zinc/02/41/97/1036024197.db2.gz AXUHFKNTKSPCTP-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000613485987 1036049684 /nfs/dbraw/zinc/04/96/84/1036049684.db2.gz JJUDXKCHNVVLLN-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000613485987 1036049702 /nfs/dbraw/zinc/04/97/02/1036049702.db2.gz JJUDXKCHNVVLLN-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC1CCCCC1 ZINC000457393108 1036057177 /nfs/dbraw/zinc/05/71/77/1036057177.db2.gz SEEWOMKHNOBYBC-UHFFFAOYSA-N 1 2 332.835 3.658 20 0 EHADLO CC(C)c1ccc2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000045270454 1036062341 /nfs/dbraw/zinc/06/23/41/1036062341.db2.gz TXCGPTXARRMPRU-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1C ZINC000541234453 1036104790 /nfs/dbraw/zinc/10/47/90/1036104790.db2.gz VACPCTBPCQSQFN-UHFFFAOYSA-N 1 2 343.858 3.751 20 0 EHADLO C[C@H]1CC[C@@](C)(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000457459161 1036123381 /nfs/dbraw/zinc/12/33/81/1036123381.db2.gz PUTMBKDGXXZQBQ-YWZLYKJASA-N 1 2 329.488 3.629 20 0 EHADLO Cc1sc2nc(C)nc(NCc3cn4c([nH+]3)CCCC4)c2c1C ZINC000588898048 1036149905 /nfs/dbraw/zinc/14/99/05/1036149905.db2.gz RTRPKCQOHUXHFZ-UHFFFAOYSA-N 1 2 327.457 3.761 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000457482032 1036155684 /nfs/dbraw/zinc/15/56/84/1036155684.db2.gz KYQAHLDBUMUANN-GFCCVEGCSA-N 1 2 345.459 3.995 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccccc1 ZINC000174980788 1036189849 /nfs/dbraw/zinc/18/98/49/1036189849.db2.gz XMBABJVDIXNPNT-YWZLYKJASA-N 1 2 338.455 3.630 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccccc1 ZINC000174980788 1036189865 /nfs/dbraw/zinc/18/98/65/1036189865.db2.gz XMBABJVDIXNPNT-YWZLYKJASA-N 1 2 338.455 3.630 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000457509225 1036212337 /nfs/dbraw/zinc/21/23/37/1036212337.db2.gz QZXIIMMEJILQAF-IBGZPJMESA-N 1 2 342.487 3.783 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@](C)(c3ccccc3)C(F)(F)F)ccn12 ZINC001127260041 1036227317 /nfs/dbraw/zinc/22/73/17/1036227317.db2.gz PYPPMYOONWTGNF-QGZVFWFLSA-N 1 2 347.340 3.850 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627314 1036268058 /nfs/dbraw/zinc/26/80/58/1036268058.db2.gz IYJKAIWBKJFNDE-KCXAZCMYSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627314 1036268075 /nfs/dbraw/zinc/26/80/75/1036268075.db2.gz IYJKAIWBKJFNDE-KCXAZCMYSA-N 1 2 329.362 3.646 20 0 EHADLO Cc1nc(NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc[nH+]1 ZINC000152275003 1036281275 /nfs/dbraw/zinc/28/12/75/1036281275.db2.gz CLAKBICWTSLATQ-IBGZPJMESA-N 1 2 335.407 3.510 20 0 EHADLO COc1ccc2c(c1NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000190812405 1036300670 /nfs/dbraw/zinc/30/06/70/1036300670.db2.gz BCCPMSSUHHTMHP-UHFFFAOYSA-N 1 2 333.391 3.622 20 0 EHADLO CC1(C)Cc2occc2[C@H]([NH2+]Cc2nccc(C(F)(F)F)n2)C1 ZINC000414257438 1036312004 /nfs/dbraw/zinc/31/20/04/1036312004.db2.gz OQRLGYUMEIAPJV-LLVKDONJSA-N 1 2 325.334 3.892 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000589256371 1036324310 /nfs/dbraw/zinc/32/43/10/1036324310.db2.gz BRUCOMVKNFKWAG-SUMWQHHRSA-N 1 2 330.428 3.612 20 0 EHADLO Cc1c(F)cccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000175352814 1036343771 /nfs/dbraw/zinc/34/37/71/1036343771.db2.gz VZZUIBZQBSARPF-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO CCN(c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1)C(C)C ZINC000056546856 1036344257 /nfs/dbraw/zinc/34/42/57/1036344257.db2.gz YDFRGSUFYLEIHV-UHFFFAOYSA-N 1 2 343.475 3.720 20 0 EHADLO COc1cccc(C[C@@H]2CCCN2c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000535335160 1036349767 /nfs/dbraw/zinc/34/97/67/1036349767.db2.gz CQQPJIZGZVPYTA-KRWDZBQOSA-N 1 2 338.455 3.519 20 0 EHADLO COc1cccc(C[C@@H]2CCCN2c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000535335160 1036349787 /nfs/dbraw/zinc/34/97/87/1036349787.db2.gz CQQPJIZGZVPYTA-KRWDZBQOSA-N 1 2 338.455 3.519 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000584509078 1036351018 /nfs/dbraw/zinc/35/10/18/1036351018.db2.gz JPHSOQKGBWIUGX-XYJFISCASA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457672777 1036381093 /nfs/dbraw/zinc/38/10/93/1036381093.db2.gz LQFIBNLQAZOKNH-UHFFFAOYSA-N 1 2 328.460 3.555 20 0 EHADLO COC(=O)CC[C@@H]([NH2+][C@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925380160 1036387517 /nfs/dbraw/zinc/38/75/17/1036387517.db2.gz RZFYCSKNIWKBJY-CVEARBPZSA-N 1 2 328.412 3.645 20 0 EHADLO COc1cc(Br)c(CNc2cc[nH+]cc2F)cc1OC ZINC000192149321 1036479555 /nfs/dbraw/zinc/47/95/55/1036479555.db2.gz QZBKLQDWKGIEFB-UHFFFAOYSA-N 1 2 341.180 3.613 20 0 EHADLO Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000572818788 1036507826 /nfs/dbraw/zinc/50/78/26/1036507826.db2.gz JQRACFOZYWZIKN-AWEZNQCLSA-N 1 2 345.468 3.918 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1F ZINC000192710990 1036542690 /nfs/dbraw/zinc/54/26/90/1036542690.db2.gz IZGRHDRBWIBNSK-IBGZPJMESA-N 1 2 343.377 3.586 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000175984077 1036543254 /nfs/dbraw/zinc/54/32/54/1036543254.db2.gz GYYVYZVGXJMTLX-IEBWSBKVSA-N 1 2 346.519 3.829 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](C(F)F)C1 ZINC000589600376 1036544804 /nfs/dbraw/zinc/54/48/04/1036544804.db2.gz YWFBEWOMXXNOFW-LBPRGKRZSA-N 1 2 334.366 3.811 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589649282 1036579308 /nfs/dbraw/zinc/57/93/08/1036579308.db2.gz FAARYDQWUCUQLT-UHFFFAOYSA-N 1 2 342.830 3.643 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653568065 1036699847 /nfs/dbraw/zinc/69/98/47/1036699847.db2.gz CCFISUINBUVJNP-UHFFFAOYSA-N 1 2 345.393 3.936 20 0 EHADLO c1cc([C@@H]2C[N@H+](CCc3nsc4ccccc43)CCO2)cs1 ZINC000660000751 1036706970 /nfs/dbraw/zinc/70/69/70/1036706970.db2.gz GBMNLCQDSOILHO-INIZCTEOSA-N 1 2 330.478 3.974 20 0 EHADLO c1cc([C@@H]2C[N@@H+](CCc3nsc4ccccc43)CCO2)cs1 ZINC000660000751 1036706987 /nfs/dbraw/zinc/70/69/87/1036706987.db2.gz GBMNLCQDSOILHO-INIZCTEOSA-N 1 2 330.478 3.974 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCCO[C@H](C)C2)c(C)n1Cc1cccs1 ZINC000170770864 1036715600 /nfs/dbraw/zinc/71/56/00/1036715600.db2.gz NWTNCKICMIRCAI-OAHLLOKOSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCCO[C@H](C)C2)c(C)n1Cc1cccs1 ZINC000170770864 1036715616 /nfs/dbraw/zinc/71/56/16/1036715616.db2.gz NWTNCKICMIRCAI-OAHLLOKOSA-N 1 2 346.496 3.508 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001168182963 1036788780 /nfs/dbraw/zinc/78/87/80/1036788780.db2.gz LTHAGOPGEZOUCU-BPNCWPANSA-N 1 2 339.760 3.608 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001168182963 1036788803 /nfs/dbraw/zinc/78/88/03/1036788803.db2.gz LTHAGOPGEZOUCU-BPNCWPANSA-N 1 2 339.760 3.608 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789201 1036792572 /nfs/dbraw/zinc/79/25/72/1036792572.db2.gz NXKSKDHZOBQUIR-BBRMVZONSA-N 1 2 340.558 3.779 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCS1 ZINC000464789201 1036792584 /nfs/dbraw/zinc/79/25/84/1036792584.db2.gz NXKSKDHZOBQUIR-BBRMVZONSA-N 1 2 340.558 3.779 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000493155270 1036798213 /nfs/dbraw/zinc/79/82/13/1036798213.db2.gz CSJMOHJEJAOWEG-NPQIQWPPSA-N 1 2 346.228 3.549 20 0 EHADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)on1 ZINC000539495116 1036804248 /nfs/dbraw/zinc/80/42/48/1036804248.db2.gz DZRXTHLBTMQKDT-JTQLQIEISA-N 1 2 339.233 3.859 20 0 EHADLO CC1(C)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000464796789 1036811329 /nfs/dbraw/zinc/81/13/29/1036811329.db2.gz WEVSETQYDVKOIX-UHFFFAOYSA-N 1 2 347.459 3.543 20 0 EHADLO CC1(C)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000464796789 1036811347 /nfs/dbraw/zinc/81/13/47/1036811347.db2.gz WEVSETQYDVKOIX-UHFFFAOYSA-N 1 2 347.459 3.543 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc2c(ccc3ccccc23)o1 ZINC000539499759 1036818503 /nfs/dbraw/zinc/81/85/03/1036818503.db2.gz PAKUVBVWORGWLF-CYBMUJFWSA-N 1 2 332.407 3.975 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1NCc1nccc2ccccc21 ZINC001167699464 1036913734 /nfs/dbraw/zinc/91/37/34/1036913734.db2.gz AZGPVWLBZBLRIG-UHFFFAOYSA-N 1 2 335.407 3.738 20 0 EHADLO CCCCCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000376453248 1036948110 /nfs/dbraw/zinc/94/81/10/1036948110.db2.gz CZOVFGWQHBIGOT-OALUTQOASA-N 1 2 343.471 3.809 20 0 EHADLO CCCCCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000376453248 1036948131 /nfs/dbraw/zinc/94/81/31/1036948131.db2.gz CZOVFGWQHBIGOT-OALUTQOASA-N 1 2 343.471 3.809 20 0 EHADLO CCCCCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000376453249 1036948786 /nfs/dbraw/zinc/94/87/86/1036948786.db2.gz CZOVFGWQHBIGOT-RBUKOAKNSA-N 1 2 343.471 3.809 20 0 EHADLO CCCCCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000376453249 1036948795 /nfs/dbraw/zinc/94/87/95/1036948795.db2.gz CZOVFGWQHBIGOT-RBUKOAKNSA-N 1 2 343.471 3.809 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000177954882 1036977081 /nfs/dbraw/zinc/97/70/81/1036977081.db2.gz DDTSBKZGWQKCQY-IBGZPJMESA-N 1 2 336.439 3.839 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(F)cccc1Cl ZINC000414363025 1037001979 /nfs/dbraw/zinc/00/19/79/1037001979.db2.gz KPBBLIMABIEQIA-VIFPVBQESA-N 1 2 347.864 3.795 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(-c2ccccc2Cl)nc1C)c1ccco1 ZINC000655741725 1037003173 /nfs/dbraw/zinc/00/31/73/1037003173.db2.gz BQUFIUWULUVURD-INIZCTEOSA-N 1 2 345.830 3.904 20 0 EHADLO CCC1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000464980205 1037043995 /nfs/dbraw/zinc/04/39/95/1037043995.db2.gz JZMLDXDMBBRZAO-MRXNPFEDSA-N 1 2 330.472 3.989 20 0 EHADLO Fc1cc(CNc2ccc(N3CCOCC3)c[nH+]2)ccc1C(F)F ZINC000892640494 1037044786 /nfs/dbraw/zinc/04/47/86/1037044786.db2.gz JDKBEUFFYDPTLV-UHFFFAOYSA-N 1 2 337.345 3.607 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCCc3cc(OC)ccc3C2)n1 ZINC000590789933 1037060849 /nfs/dbraw/zinc/06/08/49/1037060849.db2.gz RXGDSWRHTIYGLX-AWEZNQCLSA-N 1 2 329.444 3.930 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCCc3cc(OC)ccc3C2)n1 ZINC000590789933 1037060868 /nfs/dbraw/zinc/06/08/68/1037060868.db2.gz RXGDSWRHTIYGLX-AWEZNQCLSA-N 1 2 329.444 3.930 20 0 EHADLO c1cn([C@@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)c[nH+]1 ZINC000590770473 1037069902 /nfs/dbraw/zinc/06/99/02/1037069902.db2.gz RMTZQYZZZRBNCV-CYBMUJFWSA-N 1 2 339.468 3.608 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000636435787 1037075198 /nfs/dbraw/zinc/07/51/98/1037075198.db2.gz BCHVEBIGVBWTIF-GFCCVEGCSA-N 1 2 337.345 3.720 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539721189 1037122870 /nfs/dbraw/zinc/12/28/70/1037122870.db2.gz QVYPIJRWUUNQQH-FQEVSTJZSA-N 1 2 327.399 3.646 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539721189 1037122880 /nfs/dbraw/zinc/12/28/80/1037122880.db2.gz QVYPIJRWUUNQQH-FQEVSTJZSA-N 1 2 327.399 3.646 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105007348 1037125957 /nfs/dbraw/zinc/12/59/57/1037125957.db2.gz BNVOENNCWYMYDI-UHFFFAOYSA-N 1 2 342.443 3.803 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1occc1-c1ccc(F)cc1 ZINC000178987603 1037147236 /nfs/dbraw/zinc/14/72/36/1037147236.db2.gz PHQNQMGPHWDLJU-UHFFFAOYSA-N 1 2 335.338 3.663 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000591249468 1037270138 /nfs/dbraw/zinc/27/01/38/1037270138.db2.gz QZTNVUHPMPVSKH-AWEZNQCLSA-N 1 2 344.842 3.986 20 0 EHADLO Cc1cccc([C@@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)c1 ZINC000542319833 1037276140 /nfs/dbraw/zinc/27/61/40/1037276140.db2.gz LMSIOJNVXVIQHG-LJQANCHMSA-N 1 2 333.435 3.958 20 0 EHADLO Cc1cccc([C@@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)c1 ZINC000542319833 1037276154 /nfs/dbraw/zinc/27/61/54/1037276154.db2.gz LMSIOJNVXVIQHG-LJQANCHMSA-N 1 2 333.435 3.958 20 0 EHADLO C[N@H+](C/C=C\c1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000539839433 1037284434 /nfs/dbraw/zinc/28/44/34/1037284434.db2.gz PUYZDFKGZVBDNP-IHWYPQMZSA-N 1 2 334.341 3.688 20 0 EHADLO C[N@@H+](C/C=C\c1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000539839433 1037284453 /nfs/dbraw/zinc/28/44/53/1037284453.db2.gz PUYZDFKGZVBDNP-IHWYPQMZSA-N 1 2 334.341 3.688 20 0 EHADLO C[C@@H](Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1)n1cc[nH+]c1 ZINC000573124912 1037295472 /nfs/dbraw/zinc/29/54/72/1037295472.db2.gz PAFUIAYLJCOLEU-JTQLQIEISA-N 1 2 337.210 3.967 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395091 1037314470 /nfs/dbraw/zinc/31/44/70/1037314470.db2.gz LWHWWMKEDYFHTM-ZFWWWQNUSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395091 1037314479 /nfs/dbraw/zinc/31/44/79/1037314479.db2.gz LWHWWMKEDYFHTM-ZFWWWQNUSA-N 1 2 335.494 3.530 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Nc3ccccc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000573169470 1037361125 /nfs/dbraw/zinc/36/11/25/1037361125.db2.gz GDBZJDLWNCRWLT-IRXDYDNUSA-N 1 2 343.496 3.698 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Nc3ccccc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000573169470 1037361136 /nfs/dbraw/zinc/36/11/36/1037361136.db2.gz GDBZJDLWNCRWLT-IRXDYDNUSA-N 1 2 343.496 3.698 20 0 EHADLO C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000669851642 1037375576 /nfs/dbraw/zinc/37/55/76/1037375576.db2.gz RRZDXMGAMAJWJI-AWEZNQCLSA-N 1 2 340.452 3.553 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000177138149 1037389768 /nfs/dbraw/zinc/38/97/68/1037389768.db2.gz XYCKMFAOCBWESB-CRAIPNDOSA-N 1 2 346.496 3.684 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000177138149 1037389787 /nfs/dbraw/zinc/38/97/87/1037389787.db2.gz XYCKMFAOCBWESB-CRAIPNDOSA-N 1 2 346.496 3.684 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2c(cc1O)CCCC2 ZINC001625885982 1037421948 /nfs/dbraw/zinc/42/19/48/1037421948.db2.gz ZPTFNAQHOMCEQU-UHFFFAOYSA-N 1 2 333.391 3.709 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000491387965 1037423705 /nfs/dbraw/zinc/42/37/05/1037423705.db2.gz RQLQKLNLFKXADQ-ARBSDZIJSA-N 1 2 325.412 3.546 20 0 EHADLO CC(C)N(Cc1ccc(Br)cc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493508807 1037434957 /nfs/dbraw/zinc/43/49/57/1037434957.db2.gz AOWIBCMZEYPFDU-BQYQJAHWSA-N 1 2 348.244 3.623 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(-n2cncn2)cc1Cl ZINC000573339238 1037450696 /nfs/dbraw/zinc/45/06/96/1037450696.db2.gz JTCGAKFQIANQEJ-MNOVXSKESA-N 1 2 333.848 3.789 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2c[nH]cn2)ccc1OCc1ccccc1 ZINC000171129700 1037466577 /nfs/dbraw/zinc/46/65/77/1037466577.db2.gz RVEKUSFKTIOCIN-HNNXBMFYSA-N 1 2 337.423 3.848 20 0 EHADLO FC1(F)CO[C@@]2(CC[N@H+](Cc3csc(Br)c3)C2)C1 ZINC001233415012 1037524450 /nfs/dbraw/zinc/52/44/50/1037524450.db2.gz ZGEWSIBNZHYDGX-NSHDSACASA-N 1 2 338.217 3.511 20 0 EHADLO FC1(F)CO[C@@]2(CC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC001233415012 1037524462 /nfs/dbraw/zinc/52/44/62/1037524462.db2.gz ZGEWSIBNZHYDGX-NSHDSACASA-N 1 2 338.217 3.511 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000669856444 1037526124 /nfs/dbraw/zinc/52/61/24/1037526124.db2.gz XKZABHWVUWFUFK-LBPRGKRZSA-N 1 2 344.415 3.633 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)CCc2ccccc2F)no1 ZINC000760846224 1037527422 /nfs/dbraw/zinc/52/74/22/1037527422.db2.gz VWLACYJVVSRIKB-UHFFFAOYSA-N 1 2 325.387 3.859 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2ccccc2F)no1 ZINC000760846224 1037527437 /nfs/dbraw/zinc/52/74/37/1037527437.db2.gz VWLACYJVVSRIKB-UHFFFAOYSA-N 1 2 325.387 3.859 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000532502793 1037530382 /nfs/dbraw/zinc/53/03/82/1037530382.db2.gz SMSHJVHYYGGPAR-DZGCQCFKSA-N 1 2 334.261 3.988 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000491518580 1037535317 /nfs/dbraw/zinc/53/53/17/1037535317.db2.gz DXOXCQPHVRYNQV-NHHWLVAYSA-N 1 2 329.403 3.859 20 0 EHADLO COc1ccc2nc(C[N@@H+]3C[C@H](C)C[C@H]3c3ccccc3F)[nH]c2n1 ZINC000760859035 1037545024 /nfs/dbraw/zinc/54/50/24/1037545024.db2.gz KFCTZIDFANLXSD-WBMJQRKESA-N 1 2 340.402 3.689 20 0 EHADLO COc1ccc2nc(C[N@H+]3C[C@H](C)C[C@H]3c3ccccc3F)[nH]c2n1 ZINC000760859035 1037545030 /nfs/dbraw/zinc/54/50/30/1037545030.db2.gz KFCTZIDFANLXSD-WBMJQRKESA-N 1 2 340.402 3.689 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cncn2C)c2ccccc2Cl)cc1 ZINC000152907185 1037575084 /nfs/dbraw/zinc/57/50/84/1037575084.db2.gz ZMQHBPKMGVUXLC-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000493727900 1037584047 /nfs/dbraw/zinc/58/40/47/1037584047.db2.gz QXUMMEAGKYYOSA-WAYWQWQTSA-N 1 2 349.356 3.848 20 0 EHADLO Cc1cc(C)c(CNC(=O)/C=C\c2cnc(C(C)(C)C)s2)c[nH+]1 ZINC000493825708 1037638086 /nfs/dbraw/zinc/63/80/86/1037638086.db2.gz QIUMFQPSCVLCCD-SREVYHEPSA-N 1 2 329.469 3.782 20 0 EHADLO COc1cccc(-c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2)c1 ZINC000172774411 1037647500 /nfs/dbraw/zinc/64/75/00/1037647500.db2.gz CPSSGQVTJOJAMU-UHFFFAOYSA-N 1 2 345.406 3.651 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000914330665 1037650781 /nfs/dbraw/zinc/65/07/81/1037650781.db2.gz AQFKWBJZLCCREU-CQSZACIVSA-N 1 2 344.484 3.799 20 0 EHADLO CCOC1CC[NH+](Cn2c(CCC3CCCC3)n[nH]c2=S)CC1 ZINC000058206248 1037650909 /nfs/dbraw/zinc/65/09/09/1037650909.db2.gz RBEVABIIVNQBTA-UHFFFAOYSA-N 1 2 338.521 3.522 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(F)cccc3C2)c(C)c1 ZINC000152771933 1037672073 /nfs/dbraw/zinc/67/20/73/1037672073.db2.gz HEABQXLUQFOPGK-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(F)cccc3C2)c(C)c1 ZINC000152771933 1037672083 /nfs/dbraw/zinc/67/20/83/1037672083.db2.gz HEABQXLUQFOPGK-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CCS[C@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576421 1037683415 /nfs/dbraw/zinc/68/34/15/1037683415.db2.gz DVGGUOPLLTYVCL-XJKSGUPXSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576421 1037683424 /nfs/dbraw/zinc/68/34/24/1037683424.db2.gz DVGGUOPLLTYVCL-XJKSGUPXSA-N 1 2 325.449 3.647 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000532577102 1037685206 /nfs/dbraw/zinc/68/52/06/1037685206.db2.gz SUPKMHKNPVCKBU-HXUWFJFHSA-N 1 2 339.435 3.753 20 0 EHADLO Cc1cc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000666639774 1037734204 /nfs/dbraw/zinc/73/42/04/1037734204.db2.gz FFVATLWZGXSTEQ-UHFFFAOYSA-N 1 2 345.393 3.589 20 0 EHADLO CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029910779 1037738264 /nfs/dbraw/zinc/73/82/64/1037738264.db2.gz MYHYNGGDUANUFE-UHFFFAOYSA-N 1 2 339.370 3.808 20 0 EHADLO Cc1cc([C@H]([NH2+]CC(=O)NC2CC2)c2ccccc2Cl)ccc1F ZINC000172923749 1037763039 /nfs/dbraw/zinc/76/30/39/1037763039.db2.gz AHHFQDGHOBJMPQ-IBGZPJMESA-N 1 2 346.833 3.745 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000463126202 1037777790 /nfs/dbraw/zinc/77/77/90/1037777790.db2.gz SQFHHKKYHNKGQX-KSZLIROESA-N 1 2 341.476 3.825 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000463126202 1037777807 /nfs/dbraw/zinc/77/78/07/1037777807.db2.gz SQFHHKKYHNKGQX-KSZLIROESA-N 1 2 341.476 3.825 20 0 EHADLO CCCc1csc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000494030093 1037785847 /nfs/dbraw/zinc/78/58/47/1037785847.db2.gz YZSACLDLMJTNEV-CQSZACIVSA-N 1 2 349.887 3.644 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378068748 1037803681 /nfs/dbraw/zinc/80/36/81/1037803681.db2.gz ABTIPZLJFHTJRQ-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378068748 1037803697 /nfs/dbraw/zinc/80/36/97/1037803697.db2.gz ABTIPZLJFHTJRQ-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463152715 1037824108 /nfs/dbraw/zinc/82/41/08/1037824108.db2.gz PUWBMMDVQWAFFO-HOTGVXAUSA-N 1 2 337.533 3.961 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000172993973 1037828209 /nfs/dbraw/zinc/82/82/09/1037828209.db2.gz QTVHNKLCMBZXHE-UHFFFAOYSA-N 1 2 331.847 3.624 20 0 EHADLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000592157257 1037833260 /nfs/dbraw/zinc/83/32/60/1037833260.db2.gz QHQYAMRCGNMNJS-UHFFFAOYSA-N 1 2 347.503 3.942 20 0 EHADLO Cc1cccc2c(CCC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c[nH]c21 ZINC000378081263 1037856168 /nfs/dbraw/zinc/85/61/68/1037856168.db2.gz XNVIUEPFRQQQIA-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1cccc2c(CCC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c[nH]c21 ZINC000378081263 1037856188 /nfs/dbraw/zinc/85/61/88/1037856188.db2.gz XNVIUEPFRQQQIA-UHFFFAOYSA-N 1 2 336.439 3.538 20 0 EHADLO O=C(N[C@@H]1CCCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000117640138 1037857347 /nfs/dbraw/zinc/85/73/47/1037857347.db2.gz GLFJHKSTFHURMX-GOSISDBHSA-N 1 2 333.391 3.516 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084314 1037866730 /nfs/dbraw/zinc/86/67/30/1037866730.db2.gz LZCMRMHQDKJJAH-LSDHHAIUSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084314 1037866746 /nfs/dbraw/zinc/86/67/46/1037866746.db2.gz LZCMRMHQDKJJAH-LSDHHAIUSA-N 1 2 329.831 3.573 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3cccc(F)c3)n2)CC1 ZINC000036652207 1037909242 /nfs/dbraw/zinc/90/92/42/1037909242.db2.gz SGWIHXCRSWISFO-UHFFFAOYSA-N 1 2 347.459 3.695 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119807973 1037912775 /nfs/dbraw/zinc/91/27/75/1037912775.db2.gz NTDILBFXNPWTHU-RTBURBONSA-N 1 2 339.483 3.624 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCC2(C)C)C[C@H](C)O1 ZINC000666647339 1037914070 /nfs/dbraw/zinc/91/40/70/1037914070.db2.gz HPRTXTDPHOCOMC-HLLBOEOZSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCC2(C)C)C[C@H](C)O1 ZINC000666647339 1037914085 /nfs/dbraw/zinc/91/40/85/1037914085.db2.gz HPRTXTDPHOCOMC-HLLBOEOZSA-N 1 2 330.472 3.671 20 0 EHADLO OC[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1c(F)cccc1F ZINC000271492463 1037933581 /nfs/dbraw/zinc/93/35/81/1037933581.db2.gz PCOXIRAATPJHTB-HUUCEWRRSA-N 1 2 339.382 3.964 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2cccc(C)c2)c1C ZINC000058466631 1037949905 /nfs/dbraw/zinc/94/99/05/1037949905.db2.gz OASZXUYSRUUJJE-UHFFFAOYSA-N 1 2 329.469 3.844 20 0 EHADLO CCCOc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000492103152 1037976040 /nfs/dbraw/zinc/97/60/40/1037976040.db2.gz LQUDODGPBYILDJ-YVMONPNESA-N 1 2 339.439 3.618 20 0 EHADLO CCCOc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000492103152 1037976053 /nfs/dbraw/zinc/97/60/53/1037976053.db2.gz LQUDODGPBYILDJ-YVMONPNESA-N 1 2 339.439 3.618 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000540470858 1038000619 /nfs/dbraw/zinc/00/06/19/1038000619.db2.gz JQSBBEYULXQQFJ-HUUCEWRRSA-N 1 2 346.471 3.896 20 0 EHADLO Cc1cc(Cl)cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1O ZINC000180249288 1038099739 /nfs/dbraw/zinc/09/97/39/1038099739.db2.gz NTLDJYOYZMXDNY-OAHLLOKOSA-N 1 2 345.874 3.628 20 0 EHADLO CCn1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000124172614 1038148250 /nfs/dbraw/zinc/14/82/50/1038148250.db2.gz BQCMREDJCVSMLL-BEFAXECRSA-N 1 2 336.439 3.581 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCCc3ccccc32)s1 ZINC000106877520 1038238464 /nfs/dbraw/zinc/23/84/64/1038238464.db2.gz PSIMRVAZVPVEGO-AWEZNQCLSA-N 1 2 343.496 3.732 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCCc3ccccc32)s1 ZINC000106877520 1038238474 /nfs/dbraw/zinc/23/84/74/1038238474.db2.gz PSIMRVAZVPVEGO-AWEZNQCLSA-N 1 2 343.496 3.732 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1Cl ZINC000125015793 1038267447 /nfs/dbraw/zinc/26/74/47/1038267447.db2.gz BMRNERSNDHLJHU-GFCCVEGCSA-N 1 2 342.892 3.503 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000378272984 1038355681 /nfs/dbraw/zinc/35/56/81/1038355681.db2.gz MVKFYQQYBAAOCP-SHRNQRGKSA-N 1 2 329.831 3.804 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC(C)(C)C1 ZINC000538567671 1038391897 /nfs/dbraw/zinc/39/18/97/1038391897.db2.gz CKVXSICBZHRKGL-UHFFFAOYSA-N 1 2 332.492 3.904 20 0 EHADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)COc1c(Cl)cccc1Cl ZINC000398023209 1038395433 /nfs/dbraw/zinc/39/54/33/1038395433.db2.gz CPNJIZIKGNQATG-JOYOIKCWSA-N 1 2 340.197 3.511 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378319798 1038449633 /nfs/dbraw/zinc/44/96/33/1038449633.db2.gz SPFSAGKZODZFNT-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378319798 1038449642 /nfs/dbraw/zinc/44/96/42/1038449642.db2.gz SPFSAGKZODZFNT-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000311812094 1038452450 /nfs/dbraw/zinc/45/24/50/1038452450.db2.gz DKPJESURZZBXIL-JTQLQIEISA-N 1 2 338.167 3.842 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000311812094 1038452455 /nfs/dbraw/zinc/45/24/55/1038452455.db2.gz DKPJESURZZBXIL-JTQLQIEISA-N 1 2 338.167 3.842 20 0 EHADLO Fc1ccc(F)c(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1 ZINC000538740477 1038504652 /nfs/dbraw/zinc/50/46/52/1038504652.db2.gz RXZBLCODTJZANK-UHFFFAOYSA-N 1 2 342.389 3.563 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000538725334 1038506111 /nfs/dbraw/zinc/50/61/11/1038506111.db2.gz OKCDTCKKSCAVGA-IBGZPJMESA-N 1 2 337.423 3.689 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000538725334 1038506120 /nfs/dbraw/zinc/50/61/20/1038506120.db2.gz OKCDTCKKSCAVGA-IBGZPJMESA-N 1 2 337.423 3.689 20 0 EHADLO CCn1nccc1C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549425975 1038563611 /nfs/dbraw/zinc/56/36/11/1038563611.db2.gz UYLAXZNTWITYRG-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1nccc1C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549425975 1038563622 /nfs/dbraw/zinc/56/36/22/1038563622.db2.gz UYLAXZNTWITYRG-INIZCTEOSA-N 1 2 341.352 3.993 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489289 1038660311 /nfs/dbraw/zinc/66/03/11/1038660311.db2.gz BULHTPVSLDTKIS-WBVHZDCISA-N 1 2 345.464 3.568 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489289 1038660313 /nfs/dbraw/zinc/66/03/13/1038660313.db2.gz BULHTPVSLDTKIS-WBVHZDCISA-N 1 2 345.464 3.568 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489288 1038660323 /nfs/dbraw/zinc/66/03/23/1038660323.db2.gz BULHTPVSLDTKIS-RDJZCZTQSA-N 1 2 345.464 3.568 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489288 1038660326 /nfs/dbraw/zinc/66/03/26/1038660326.db2.gz BULHTPVSLDTKIS-RDJZCZTQSA-N 1 2 345.464 3.568 20 0 EHADLO CCOC(=O)c1ncc(CNc2cc(CSCC)cc[nH+]2)s1 ZINC000893244661 1038662757 /nfs/dbraw/zinc/66/27/57/1038662757.db2.gz RVJSGVOUYZYYCZ-UHFFFAOYSA-N 1 2 337.470 3.580 20 0 EHADLO CCCc1nsc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000461968582 1038704261 /nfs/dbraw/zinc/70/42/61/1038704261.db2.gz AGEYRWOPBDTYHD-ZDUSSCGKSA-N 1 2 334.464 3.513 20 0 EHADLO FC(F)(F)c1nn(Cc2ncccc2C(F)(F)F)c2cc[nH+]cc21 ZINC000431880627 1038721265 /nfs/dbraw/zinc/72/12/65/1038721265.db2.gz DNSDOXPQXQDHQW-UHFFFAOYSA-N 1 2 346.234 3.912 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)C[C@@H]1CC1(C)C ZINC000668814769 1038777113 /nfs/dbraw/zinc/77/71/13/1038777113.db2.gz UFGMYHUORVSFNZ-ZDUSSCGKSA-N 1 2 329.893 3.612 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000668814769 1038777127 /nfs/dbraw/zinc/77/71/27/1038777127.db2.gz UFGMYHUORVSFNZ-ZDUSSCGKSA-N 1 2 329.893 3.612 20 0 EHADLO CCC[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCO1 ZINC000552035917 1038779939 /nfs/dbraw/zinc/77/99/39/1038779939.db2.gz OBRDWISZYPOPRJ-BRSBDYLESA-N 1 2 345.487 3.516 20 0 EHADLO CCCn1nccc1C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000667567207 1038784613 /nfs/dbraw/zinc/78/46/13/1038784613.db2.gz SDJMQAZSVYKVCX-MRXNPFEDSA-N 1 2 328.460 3.532 20 0 EHADLO CCCn1nccc1C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000667567207 1038784627 /nfs/dbraw/zinc/78/46/27/1038784627.db2.gz SDJMQAZSVYKVCX-MRXNPFEDSA-N 1 2 328.460 3.532 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC000378649100 1038821475 /nfs/dbraw/zinc/82/14/75/1038821475.db2.gz UJORJWINKRYHDI-LRDDRELGSA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC000378649100 1038821501 /nfs/dbraw/zinc/82/15/01/1038821501.db2.gz UJORJWINKRYHDI-LRDDRELGSA-N 1 2 336.432 3.643 20 0 EHADLO O=C1SCCN1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000041887426 1038831240 /nfs/dbraw/zinc/83/12/40/1038831240.db2.gz AJCWJWYWAZBRIF-GFCCVEGCSA-N 1 2 333.482 3.602 20 0 EHADLO O=C1SCCN1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000041887426 1038831272 /nfs/dbraw/zinc/83/12/72/1038831272.db2.gz AJCWJWYWAZBRIF-GFCCVEGCSA-N 1 2 333.482 3.602 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000488106620 1038868146 /nfs/dbraw/zinc/86/81/46/1038868146.db2.gz XJJGQRHFZFQRGG-QGZVFWFLSA-N 1 2 344.499 3.608 20 0 EHADLO Cc1nc2ccc(C[N@H+]3C[C@H](C)O[C@](C)(C(F)F)C3)cc2s1 ZINC000668821947 1038874933 /nfs/dbraw/zinc/87/49/33/1038874933.db2.gz ODONPJGKHUMMAL-QFYYESIMSA-N 1 2 326.412 3.849 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3C[C@H](C)O[C@](C)(C(F)F)C3)cc2s1 ZINC000668821947 1038874955 /nfs/dbraw/zinc/87/49/55/1038874955.db2.gz ODONPJGKHUMMAL-QFYYESIMSA-N 1 2 326.412 3.849 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1C ZINC000667576030 1038889579 /nfs/dbraw/zinc/88/95/79/1038889579.db2.gz AXTARQXULXMTSU-VQFNDLOPSA-N 1 2 330.472 3.882 20 0 EHADLO FC1(F)CCC[C@@H]1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923889870 1038896941 /nfs/dbraw/zinc/89/69/41/1038896941.db2.gz WITNWRZGZKXFSP-CYBMUJFWSA-N 1 2 330.338 3.900 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668827735 1038901662 /nfs/dbraw/zinc/90/16/62/1038901662.db2.gz ZYPZUWOVFDABLG-BLSFAOBESA-N 1 2 325.399 3.592 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668827735 1038901677 /nfs/dbraw/zinc/90/16/77/1038901677.db2.gz ZYPZUWOVFDABLG-BLSFAOBESA-N 1 2 325.399 3.592 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1(Cc2ccccc2)CC1 ZINC000552036095 1038902081 /nfs/dbraw/zinc/90/20/81/1038902081.db2.gz WDXAPWDFZYCILK-WGSAOQKQSA-N 1 2 349.478 3.944 20 0 EHADLO Cc1cccc2[nH]c(=NCc3cccc(Cn4cc[nH+]c4)c3)sc21 ZINC000479936626 1038911099 /nfs/dbraw/zinc/91/10/99/1038911099.db2.gz BMKUFBOJUALATC-UHFFFAOYSA-N 1 2 334.448 3.884 20 0 EHADLO Cc1cccc2nc(NCc3cccc(Cn4cc[nH+]c4)c3)sc21 ZINC000479936626 1038911120 /nfs/dbraw/zinc/91/11/20/1038911120.db2.gz BMKUFBOJUALATC-UHFFFAOYSA-N 1 2 334.448 3.884 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000488166517 1038930774 /nfs/dbraw/zinc/93/07/74/1038930774.db2.gz UPUHLPSZCBYXDC-LBPRGKRZSA-N 1 2 327.457 3.581 20 0 EHADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000477859158 1038966008 /nfs/dbraw/zinc/96/60/08/1038966008.db2.gz LPCBJSRWUZZPHN-MNZLEMJZSA-N 1 2 344.503 3.696 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2ncnn2CC(F)F)C2CCCC2)c1 ZINC000488210707 1038977591 /nfs/dbraw/zinc/97/75/91/1038977591.db2.gz NNWDSVMQUOBGOW-UHFFFAOYSA-N 1 2 338.377 3.627 20 0 EHADLO Fc1cccc(C[N@H+](Cc2ncnn2CC(F)F)C2CCCC2)c1 ZINC000488210707 1038977601 /nfs/dbraw/zinc/97/76/01/1038977601.db2.gz NNWDSVMQUOBGOW-UHFFFAOYSA-N 1 2 338.377 3.627 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccc(F)cc3s2)ccc1O ZINC000432741953 1038977754 /nfs/dbraw/zinc/97/77/54/1038977754.db2.gz PSHWWCUFEMGEGM-UHFFFAOYSA-N 1 2 332.400 3.782 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccc(F)cc3s2)ccc1O ZINC000432741953 1038977770 /nfs/dbraw/zinc/97/77/70/1038977770.db2.gz PSHWWCUFEMGEGM-UHFFFAOYSA-N 1 2 332.400 3.782 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1F ZINC000651405036 1038987939 /nfs/dbraw/zinc/98/79/39/1038987939.db2.gz IGBVDSCLAPFVCM-HNNXBMFYSA-N 1 2 332.448 3.732 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1F ZINC000651405036 1038987957 /nfs/dbraw/zinc/98/79/57/1038987957.db2.gz IGBVDSCLAPFVCM-HNNXBMFYSA-N 1 2 332.448 3.732 20 0 EHADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000512400985 1039010379 /nfs/dbraw/zinc/01/03/79/1039010379.db2.gz VHZMBBAXBGHLDZ-MRXNPFEDSA-N 1 2 343.496 3.609 20 0 EHADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000512400985 1039010395 /nfs/dbraw/zinc/01/03/95/1039010395.db2.gz VHZMBBAXBGHLDZ-MRXNPFEDSA-N 1 2 343.496 3.609 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432747005 1039012326 /nfs/dbraw/zinc/01/23/26/1039012326.db2.gz LDXVSXBFBWNVGF-UHFFFAOYSA-N 1 2 347.261 3.869 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509745002 1039020208 /nfs/dbraw/zinc/02/02/08/1039020208.db2.gz IELYLZNFQZUFQP-AEFFLSMTSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509745004 1039021436 /nfs/dbraw/zinc/02/14/36/1039021436.db2.gz IELYLZNFQZUFQP-SJLPKXTDSA-N 1 2 344.503 3.709 20 0 EHADLO FC1(F)CC[C@H](CNc2cc(NC[C@H]3CCC(F)(F)C3)[nH+]cn2)C1 ZINC000485405785 1039024972 /nfs/dbraw/zinc/02/49/72/1039024972.db2.gz DPYSOVXHZBZPST-RYUDHWBXSA-N 1 2 346.372 3.593 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC(C)(C)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000416800121 1039044250 /nfs/dbraw/zinc/04/42/50/1039044250.db2.gz FJSFOAKHRXLJFF-CVEARBPZSA-N 1 2 345.487 3.732 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000279916878 1039052534 /nfs/dbraw/zinc/05/25/34/1039052534.db2.gz BLIXNQFGJPFJRU-UHFFFAOYSA-N 1 2 345.874 3.586 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785126 1039077936 /nfs/dbraw/zinc/07/79/36/1039077936.db2.gz XTAWUESNWMFIRC-UHFFFAOYSA-N 1 2 342.389 3.725 20 0 EHADLO O=C(c1cccc(C(F)F)c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785126 1039077953 /nfs/dbraw/zinc/07/79/53/1039077953.db2.gz XTAWUESNWMFIRC-UHFFFAOYSA-N 1 2 342.389 3.725 20 0 EHADLO CSc1ccc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000910790792 1039078415 /nfs/dbraw/zinc/07/84/15/1039078415.db2.gz MSBNERQEOSXWPV-UHFFFAOYSA-N 1 2 338.476 3.509 20 0 EHADLO CSc1ccc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000910790792 1039078433 /nfs/dbraw/zinc/07/84/33/1039078433.db2.gz MSBNERQEOSXWPV-UHFFFAOYSA-N 1 2 338.476 3.509 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1COc2ccc(Cl)cc21 ZINC000488374812 1039129871 /nfs/dbraw/zinc/12/98/71/1039129871.db2.gz ZGSDHWKXIGHWNT-INIZCTEOSA-N 1 2 339.782 3.640 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2[nH+]1 ZINC000010896139 1039136667 /nfs/dbraw/zinc/13/66/67/1039136667.db2.gz JXIMJJXDNJMUMN-UHFFFAOYSA-N 1 2 329.787 3.851 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000660104524 1039136886 /nfs/dbraw/zinc/13/68/86/1039136886.db2.gz UHGSTVRIXJHNNI-MRXNPFEDSA-N 1 2 337.341 3.519 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000660104524 1039136899 /nfs/dbraw/zinc/13/68/99/1039136899.db2.gz UHGSTVRIXJHNNI-MRXNPFEDSA-N 1 2 337.341 3.519 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000509531089 1039141661 /nfs/dbraw/zinc/14/16/61/1039141661.db2.gz AXFKBEFAEITHEQ-SFHVURJKSA-N 1 2 346.837 3.805 20 0 EHADLO F[C@@]1(c2cccc(Cl)c2)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000509531089 1039141669 /nfs/dbraw/zinc/14/16/69/1039141669.db2.gz AXFKBEFAEITHEQ-SFHVURJKSA-N 1 2 346.837 3.805 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1OC(F)F ZINC000432783986 1039167240 /nfs/dbraw/zinc/16/72/40/1039167240.db2.gz MKVKLXKCCKEVPN-LBPRGKRZSA-N 1 2 338.402 3.945 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+](C)[C@@H]3CCN(C)C3=O)s2)cc1 ZINC000511588725 1039203490 /nfs/dbraw/zinc/20/34/90/1039203490.db2.gz QQSHUYFGZQFGRW-QGZVFWFLSA-N 1 2 343.496 3.596 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CCN(C)C3=O)s2)cc1 ZINC000511588725 1039203505 /nfs/dbraw/zinc/20/35/05/1039203505.db2.gz QQSHUYFGZQFGRW-QGZVFWFLSA-N 1 2 343.496 3.596 20 0 EHADLO CCc1ccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000044083065 1039208787 /nfs/dbraw/zinc/20/87/87/1039208787.db2.gz UPBXOSJFCPRRBA-UHFFFAOYSA-N 1 2 340.496 3.599 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C(F)(F)F)nn1C)CCC2 ZINC000667630219 1039227110 /nfs/dbraw/zinc/22/71/10/1039227110.db2.gz ZACPFKLNQMYDKU-LBPRGKRZSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C(F)(F)F)nn1C)CCC2 ZINC000667630219 1039227124 /nfs/dbraw/zinc/22/71/24/1039227124.db2.gz ZACPFKLNQMYDKU-LBPRGKRZSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[C@@H](C)C3)cn2c1 ZINC000500709154 1039242607 /nfs/dbraw/zinc/24/26/07/1039242607.db2.gz AUEGLKRGEHRSEX-GDBMZVCRSA-N 1 2 345.512 3.818 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccccc2)O1 ZINC000512461911 1039258511 /nfs/dbraw/zinc/25/85/11/1039258511.db2.gz GNIRDAMLMGKRHT-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H](c2ccccc2)O1 ZINC000512461911 1039258523 /nfs/dbraw/zinc/25/85/23/1039258523.db2.gz GNIRDAMLMGKRHT-QRWLVFNGSA-N 1 2 327.399 3.861 20 0 EHADLO O=C(CC1(C(F)(F)F)CC1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000488546358 1039259989 /nfs/dbraw/zinc/25/99/89/1039259989.db2.gz GEZGIPMMWHBZMC-CYBMUJFWSA-N 1 2 346.780 3.546 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648715 1039349830 /nfs/dbraw/zinc/34/98/30/1039349830.db2.gz MBJZLXZWTCMKJT-PZPSRYQVSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648715 1039349838 /nfs/dbraw/zinc/34/98/38/1039349838.db2.gz MBJZLXZWTCMKJT-PZPSRYQVSA-N 1 2 338.442 3.899 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[NH+]1CCC2(CCCC2)CC1 ZINC000485666412 1039381508 /nfs/dbraw/zinc/38/15/08/1039381508.db2.gz FQYVEMRGAWYPEQ-SFHVURJKSA-N 1 2 347.455 3.574 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCO1 ZINC000906198850 1039403352 /nfs/dbraw/zinc/40/33/52/1039403352.db2.gz CTVHNRWGORTHAU-KSSFIOAISA-N 1 2 339.439 3.640 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000480305449 1039411253 /nfs/dbraw/zinc/41/12/53/1039411253.db2.gz DDXKTNYBLVRHNS-STQMWFEESA-N 1 2 328.382 3.634 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000480305449 1039411261 /nfs/dbraw/zinc/41/12/61/1039411261.db2.gz DDXKTNYBLVRHNS-STQMWFEESA-N 1 2 328.382 3.634 20 0 EHADLO CCc1noc([C@H](C)[N@H+](CC)Cc2cccc(Br)c2)n1 ZINC000488797115 1039411683 /nfs/dbraw/zinc/41/16/83/1039411683.db2.gz QWVBTFWQZAMTQG-NSHDSACASA-N 1 2 338.249 3.978 20 0 EHADLO CCc1noc([C@H](C)[N@@H+](CC)Cc2cccc(Br)c2)n1 ZINC000488797115 1039411688 /nfs/dbraw/zinc/41/16/88/1039411688.db2.gz QWVBTFWQZAMTQG-NSHDSACASA-N 1 2 338.249 3.978 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000044138909 1039445164 /nfs/dbraw/zinc/44/51/64/1039445164.db2.gz WZEPVCGGDSNQMI-SNVBAGLBSA-N 1 2 342.440 3.573 20 0 EHADLO COC(=O)[C@@H](C)c1cccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000417132750 1039452970 /nfs/dbraw/zinc/45/29/70/1039452970.db2.gz ANLLLSQMXDUPIR-ZDUSSCGKSA-N 1 2 341.411 3.927 20 0 EHADLO CC(C)C1(C)CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000488901187 1039465651 /nfs/dbraw/zinc/46/56/51/1039465651.db2.gz OJAWLKIOHZBILQ-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724767 1039467502 /nfs/dbraw/zinc/46/75/02/1039467502.db2.gz SLAADKHSSMYMKB-QGTPRVQTSA-N 1 2 338.442 3.899 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724767 1039467506 /nfs/dbraw/zinc/46/75/06/1039467506.db2.gz SLAADKHSSMYMKB-QGTPRVQTSA-N 1 2 338.442 3.899 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(C3CC3)nn2)c2ccccc2)cc1 ZINC000906313839 1039467613 /nfs/dbraw/zinc/46/76/13/1039467613.db2.gz RZVAQLWGCYKSNY-HXUWFJFHSA-N 1 2 334.423 3.501 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000432828596 1039474978 /nfs/dbraw/zinc/47/49/78/1039474978.db2.gz JEVNCZLVHPJKGO-HNNXBMFYSA-N 1 2 340.240 3.809 20 0 EHADLO Cc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000364049783 1039522609 /nfs/dbraw/zinc/52/26/09/1039522609.db2.gz XXGREPLJXSPKAC-UHFFFAOYSA-N 1 2 345.406 3.949 20 0 EHADLO Brc1cccc2c(N3CCO[C@H]4CCC[C@H]43)cc[nH+]c12 ZINC000552805831 1039527215 /nfs/dbraw/zinc/52/72/15/1039527215.db2.gz FLKUTTHIJMPVKI-CABCVRRESA-N 1 2 333.229 3.755 20 0 EHADLO Brc1cccc2c(N3CCO[C@@H]4CCC[C@H]43)cc[nH+]c12 ZINC000552805833 1039527836 /nfs/dbraw/zinc/52/78/36/1039527836.db2.gz FLKUTTHIJMPVKI-HUUCEWRRSA-N 1 2 333.229 3.755 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000667672771 1039536956 /nfs/dbraw/zinc/53/69/56/1039536956.db2.gz FWUCBTSWNHDITB-CQSZACIVSA-N 1 2 338.377 3.515 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000667672771 1039536965 /nfs/dbraw/zinc/53/69/65/1039536965.db2.gz FWUCBTSWNHDITB-CQSZACIVSA-N 1 2 338.377 3.515 20 0 EHADLO C[N@H+](Cc1ccnc(N)c1)Cc1cc(Br)ccc1Cl ZINC000489019662 1039559708 /nfs/dbraw/zinc/55/97/08/1039559708.db2.gz IMPWVGICLMXDRJ-UHFFFAOYSA-N 1 2 340.652 3.542 20 0 EHADLO C[N@@H+](Cc1ccnc(N)c1)Cc1cc(Br)ccc1Cl ZINC000489019662 1039559722 /nfs/dbraw/zinc/55/97/22/1039559722.db2.gz IMPWVGICLMXDRJ-UHFFFAOYSA-N 1 2 340.652 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)Nc2ccccc2)c1C ZINC000906453637 1039574468 /nfs/dbraw/zinc/57/44/68/1039574468.db2.gz KOZMSQRWJSKSQR-UHFFFAOYSA-N 1 2 341.455 3.556 20 0 EHADLO CO[C@H](C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)C1CC1 ZINC000419193300 1039578167 /nfs/dbraw/zinc/57/81/67/1039578167.db2.gz UNUADVFCOZHOQY-RTBURBONSA-N 1 2 349.434 3.841 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCOC2(CCCC2)C1 ZINC000906473165 1039594065 /nfs/dbraw/zinc/59/40/65/1039594065.db2.gz PLWAILYDPZYJEU-HNNXBMFYSA-N 1 2 325.412 3.755 20 0 EHADLO Cc1sc(NC(=O)NCCCCNc2cccc[nH+]2)nc1C(C)C ZINC000667371090 1039606291 /nfs/dbraw/zinc/60/62/91/1039606291.db2.gz UYLSJKWQYIEYGW-UHFFFAOYSA-N 1 2 347.488 3.984 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000489083067 1039612446 /nfs/dbraw/zinc/61/24/46/1039612446.db2.gz YBOUCVZRWWHWQK-INIZCTEOSA-N 1 2 339.782 3.640 20 0 EHADLO CN(CC1CCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000552918494 1039632405 /nfs/dbraw/zinc/63/24/05/1039632405.db2.gz BVAFAVKOUDGFOC-GOSISDBHSA-N 1 2 325.456 3.970 20 0 EHADLO C[C@H](CC(=O)O[C@H](CC1CC1)c1ccnc(Cl)c1)n1cc[nH+]c1 ZINC000893732044 1039652727 /nfs/dbraw/zinc/65/27/27/1039652727.db2.gz GSMKWPCPYWUZLI-IUODEOHRSA-N 1 2 333.819 3.967 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCC(C)(C)n3cc[nH+]c3)s2)cs1 ZINC000898911463 1039703625 /nfs/dbraw/zinc/70/36/25/1039703625.db2.gz SSUBGRZPHNPCJN-UHFFFAOYSA-N 1 2 346.481 3.542 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000489242942 1039747887 /nfs/dbraw/zinc/74/78/87/1039747887.db2.gz UZASKPPLJYJUBA-NVXWUHKLSA-N 1 2 328.460 3.667 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)c2)c1 ZINC000553083788 1039763193 /nfs/dbraw/zinc/76/31/93/1039763193.db2.gz WRSKBURPWCLOMB-FQEVSTJZSA-N 1 2 345.446 3.737 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667409764 1039777418 /nfs/dbraw/zinc/77/74/18/1039777418.db2.gz GIYKCZWLEJOWKY-LLVKDONJSA-N 1 2 334.420 3.682 20 0 EHADLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1cnn2c1CCC2 ZINC000667713114 1039786327 /nfs/dbraw/zinc/78/63/27/1039786327.db2.gz YEWROFKKUGZASW-LBPRGKRZSA-N 1 2 346.272 3.539 20 0 EHADLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1cnn2c1CCC2 ZINC000667713114 1039786344 /nfs/dbraw/zinc/78/63/44/1039786344.db2.gz YEWROFKKUGZASW-LBPRGKRZSA-N 1 2 346.272 3.539 20 0 EHADLO Cc1cc(N[C@H](C)c2noc(COC(C)C)n2)nc(C2CCC2)[nH+]1 ZINC000893923628 1039834354 /nfs/dbraw/zinc/83/43/54/1039834354.db2.gz NNXLTPPVVBIZBV-GFCCVEGCSA-N 1 2 331.420 3.534 20 0 EHADLO COc1ccc2[nH+]cc(Cl)c(N3CC[C@H](n4cccn4)C3)c2c1 ZINC000893932458 1039844882 /nfs/dbraw/zinc/84/48/82/1039844882.db2.gz OWGOECGKXBZQDI-LBPRGKRZSA-N 1 2 328.803 3.545 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H](O)c2cc3ccccc3s2)c(C)[nH+]1 ZINC000906969655 1039850456 /nfs/dbraw/zinc/85/04/56/1039850456.db2.gz AMCCWRWJTHKRAK-HNNXBMFYSA-N 1 2 340.448 3.685 20 0 EHADLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893960873 1039862402 /nfs/dbraw/zinc/86/24/02/1039862402.db2.gz ZJXCVCWQALTEIO-AWEZNQCLSA-N 1 2 344.402 3.851 20 0 EHADLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893960873 1039862427 /nfs/dbraw/zinc/86/24/27/1039862427.db2.gz ZJXCVCWQALTEIO-AWEZNQCLSA-N 1 2 344.402 3.851 20 0 EHADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805081 1039878842 /nfs/dbraw/zinc/87/88/42/1039878842.db2.gz FYLHWKMITILZAC-KDOFPFPSSA-N 1 2 335.407 3.795 20 0 EHADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805081 1039878855 /nfs/dbraw/zinc/87/88/55/1039878855.db2.gz FYLHWKMITILZAC-KDOFPFPSSA-N 1 2 335.407 3.795 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419209316 1039882788 /nfs/dbraw/zinc/88/27/88/1039882788.db2.gz WKBWCUNYYICHEE-UHFFFAOYSA-N 1 2 348.830 3.770 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(O)c(F)c3)n2)cc1 ZINC000893976335 1039913678 /nfs/dbraw/zinc/91/36/78/1039913678.db2.gz OLBZIRZMMJOACX-LBPRGKRZSA-N 1 2 341.386 3.995 20 0 EHADLO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000912496040 1039922050 /nfs/dbraw/zinc/92/20/50/1039922050.db2.gz QLJNVJTVRGVWEG-GXTWGEPZSA-N 1 2 338.423 3.820 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)[nH]c1C(C)C ZINC000893996042 1039933167 /nfs/dbraw/zinc/93/31/67/1039933167.db2.gz YGHLQGKNNJWSMU-OAHLLOKOSA-N 1 2 331.416 3.558 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)[nH]c1C(C)C ZINC000893996042 1039933179 /nfs/dbraw/zinc/93/31/79/1039933179.db2.gz YGHLQGKNNJWSMU-OAHLLOKOSA-N 1 2 331.416 3.558 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000553297245 1039944341 /nfs/dbraw/zinc/94/43/41/1039944341.db2.gz MAWVJZBWEMZNOV-FGTMMUONSA-N 1 2 338.455 3.871 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1nccs1 ZINC000153382455 1039962775 /nfs/dbraw/zinc/96/27/75/1039962775.db2.gz OHQSTTBMQLLJIM-QWRGUYRKSA-N 1 2 333.848 3.789 20 0 EHADLO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CC1(C)C ZINC000489431904 1039969775 /nfs/dbraw/zinc/96/97/75/1039969775.db2.gz QSCGZBGKMLQNPT-GFCCVEGCSA-N 1 2 329.425 3.887 20 0 EHADLO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CC1(C)C ZINC000489431904 1039969795 /nfs/dbraw/zinc/96/97/95/1039969795.db2.gz QSCGZBGKMLQNPT-GFCCVEGCSA-N 1 2 329.425 3.887 20 0 EHADLO CCc1ccc(CNC(=O)COc2cc(C)[nH+]c3ccccc32)s1 ZINC000486201183 1039971946 /nfs/dbraw/zinc/97/19/46/1039971946.db2.gz CEBOSENJMYMSJE-UHFFFAOYSA-N 1 2 340.448 3.862 20 0 EHADLO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230976 1039972028 /nfs/dbraw/zinc/97/20/28/1039972028.db2.gz JALLDWAUCCUDDQ-KDOFPFPSSA-N 1 2 330.403 3.652 20 0 EHADLO C[C@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC000907322641 1040014644 /nfs/dbraw/zinc/01/46/44/1040014644.db2.gz ATNWACHJDDGCHM-MRXNPFEDSA-N 1 2 340.471 3.503 20 0 EHADLO COc1ccccc1O[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000553388756 1040027492 /nfs/dbraw/zinc/02/74/92/1040027492.db2.gz LQUKFBGFASJRIO-INIZCTEOSA-N 1 2 341.455 3.965 20 0 EHADLO COc1ccc2nc(C[NH2+]C(C)(C)c3cccc(Cl)c3F)[nH]c2n1 ZINC000473447045 1040047952 /nfs/dbraw/zinc/04/79/52/1040047952.db2.gz GJJOGGGBEUWRSF-UHFFFAOYSA-N 1 2 348.809 3.784 20 0 EHADLO Fc1ccc(COc2cccc(C[N@@H+]3CCOCC34CC4)c2)cc1 ZINC000549852299 1040053190 /nfs/dbraw/zinc/05/31/90/1040053190.db2.gz HYEMJWANFVSUCZ-UHFFFAOYSA-N 1 2 327.399 3.770 20 0 EHADLO Fc1ccc(COc2cccc(C[N@H+]3CCOCC34CC4)c2)cc1 ZINC000549852299 1040053212 /nfs/dbraw/zinc/05/32/12/1040053212.db2.gz HYEMJWANFVSUCZ-UHFFFAOYSA-N 1 2 327.399 3.770 20 0 EHADLO COC(=O)[C@@H]1CC12CCN(c1cc[nH+]c3c(Cl)cccc13)CC2 ZINC000553431279 1040056039 /nfs/dbraw/zinc/05/60/39/1040056039.db2.gz IVUGQRGXYJCIEP-ZDUSSCGKSA-N 1 2 330.815 3.668 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012652 1040059088 /nfs/dbraw/zinc/05/90/88/1040059088.db2.gz KHOGGKNUUZVDNG-RTBURBONSA-N 1 2 333.378 3.726 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000555012652 1040059105 /nfs/dbraw/zinc/05/91/05/1040059105.db2.gz KHOGGKNUUZVDNG-RTBURBONSA-N 1 2 333.378 3.726 20 0 EHADLO COc1ccc2ccc(N[C@H]3CCO[C@@H](c4ccncc4)C3)[nH+]c2c1 ZINC000894078668 1040059553 /nfs/dbraw/zinc/05/95/53/1040059553.db2.gz MWFHKQIDSRZIHD-QFBILLFUSA-N 1 2 335.407 3.971 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)on1 ZINC000924847527 1040084286 /nfs/dbraw/zinc/08/42/86/1040084286.db2.gz GKYYUTCSCHJBNL-VXGBXAGGSA-N 1 2 344.390 3.728 20 0 EHADLO Cc1ccc2[nH]c(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)nc2c1 ZINC000553473785 1040092709 /nfs/dbraw/zinc/09/27/09/1040092709.db2.gz RGIINEAFJLMQSX-MRXNPFEDSA-N 1 2 342.830 3.766 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)[nH]c2c1 ZINC000553473785 1040092732 /nfs/dbraw/zinc/09/27/32/1040092732.db2.gz RGIINEAFJLMQSX-MRXNPFEDSA-N 1 2 342.830 3.766 20 0 EHADLO CO[C@@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)c1ccccc1 ZINC000555054829 1040112130 /nfs/dbraw/zinc/11/21/30/1040112130.db2.gz SMRSGGUISSSXJW-QAPCUYQASA-N 1 2 337.423 3.699 20 0 EHADLO CSC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810976 1040177670 /nfs/dbraw/zinc/17/76/70/1040177670.db2.gz QSTCZYAWWBQTPD-CYBMUJFWSA-N 1 2 335.517 3.573 20 0 EHADLO CSC(C)(C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810976 1040177679 /nfs/dbraw/zinc/17/76/79/1040177679.db2.gz QSTCZYAWWBQTPD-CYBMUJFWSA-N 1 2 335.517 3.573 20 0 EHADLO CO[C@@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 ZINC000660268951 1040177844 /nfs/dbraw/zinc/17/78/44/1040177844.db2.gz JXRUZWHXNYQYCC-QAPCUYQASA-N 1 2 343.471 3.906 20 0 EHADLO Cc1cnc2c(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cccc2c1Cl ZINC000912751221 1040221148 /nfs/dbraw/zinc/22/11/48/1040221148.db2.gz ACNJUAGZUQZXCJ-GFCCVEGCSA-N 1 2 340.814 3.594 20 0 EHADLO COc1ccnc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000644965474 1040287314 /nfs/dbraw/zinc/28/73/14/1040287314.db2.gz HUJRVYQOZVLYBG-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(OCc2ccccc2)cc1 ZINC000073832039 1040355556 /nfs/dbraw/zinc/35/55/56/1040355556.db2.gz WLTZVGLBEPUUOD-UHFFFAOYSA-N 1 2 347.418 3.503 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2C[C@H](CC(C)(C)C)OC2=O)n1 ZINC000190286208 1040375399 /nfs/dbraw/zinc/37/53/99/1040375399.db2.gz WSEXQJRJXORUDJ-DOTOQJQBSA-N 1 2 331.460 3.741 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2C[C@H](CC(C)(C)C)OC2=O)n1 ZINC000190286208 1040375416 /nfs/dbraw/zinc/37/54/16/1040375416.db2.gz WSEXQJRJXORUDJ-DOTOQJQBSA-N 1 2 331.460 3.741 20 0 EHADLO CCC[N@H+](Cc1cn(C2CCC2)nn1)[C@@H](C)c1ccccc1OC ZINC000667515071 1040377292 /nfs/dbraw/zinc/37/72/92/1040377292.db2.gz VWNIMFVMZCHNGY-HNNXBMFYSA-N 1 2 328.460 3.985 20 0 EHADLO CCC[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H](C)c1ccccc1OC ZINC000667515071 1040377308 /nfs/dbraw/zinc/37/73/08/1040377308.db2.gz VWNIMFVMZCHNGY-HNNXBMFYSA-N 1 2 328.460 3.985 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908306750 1040394125 /nfs/dbraw/zinc/39/41/25/1040394125.db2.gz VQBBDNCRLOWYAV-MRXNPFEDSA-N 1 2 328.460 3.646 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000473466222 1040436897 /nfs/dbraw/zinc/43/68/97/1040436897.db2.gz YWSLWSMMFIEODN-IKGGRYGDSA-N 1 2 340.471 3.507 20 0 EHADLO CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)c1ccc(C)o1 ZINC000667527086 1040450197 /nfs/dbraw/zinc/45/01/97/1040450197.db2.gz AAZVGBVYJPATGA-BZUAXINKSA-N 1 2 329.444 3.815 20 0 EHADLO CCc1c(NCc2c[nH+]cn2CC)cnn1-c1ccccc1Cl ZINC000418038321 1040486162 /nfs/dbraw/zinc/48/61/62/1040486162.db2.gz RSPIDDHSMNWCIZ-UHFFFAOYSA-N 1 2 329.835 3.917 20 0 EHADLO C[C@H]1[N@H+](Cc2ccc(Br)c3cccnc23)CCOC1(C)C ZINC000490340035 1040502399 /nfs/dbraw/zinc/50/23/99/1040502399.db2.gz LORAEQMRQSRHHU-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@H]1[N@@H+](Cc2ccc(Br)c3cccnc23)CCOC1(C)C ZINC000490340035 1040502421 /nfs/dbraw/zinc/50/24/21/1040502421.db2.gz LORAEQMRQSRHHU-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@](=O)CC[C@@H]3C)o2)cc1 ZINC000433031445 1040505492 /nfs/dbraw/zinc/50/54/92/1040505492.db2.gz YWFJESHDDQLTNT-NPMXOYFQSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@](=O)CC[C@@H]3C)o2)cc1 ZINC000433031445 1040505513 /nfs/dbraw/zinc/50/55/13/1040505513.db2.gz YWFJESHDDQLTNT-NPMXOYFQSA-N 1 2 331.481 3.852 20 0 EHADLO CC(C)=CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479732276 1040562352 /nfs/dbraw/zinc/56/23/52/1040562352.db2.gz YQCKDEYWNLUERX-SFHVURJKSA-N 1 2 326.444 3.507 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1nc(C(C)C)cs1)O[C@H](C)C2 ZINC000553900617 1040566670 /nfs/dbraw/zinc/56/66/70/1040566670.db2.gz LFMHKGXSWNZHGO-GFCCVEGCSA-N 1 2 332.469 3.888 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cccc(F)c2F)C1 ZINC000553932620 1040605713 /nfs/dbraw/zinc/60/57/13/1040605713.db2.gz DVNKVAXOWQLJNW-DZGCQCFKSA-N 1 2 335.419 3.966 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cccc(F)c2F)C1 ZINC000553932620 1040605720 /nfs/dbraw/zinc/60/57/20/1040605720.db2.gz DVNKVAXOWQLJNW-DZGCQCFKSA-N 1 2 335.419 3.966 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000569622131 1040610855 /nfs/dbraw/zinc/61/08/55/1040610855.db2.gz WALRPYGVXUIKHA-CQSZACIVSA-N 1 2 326.444 3.606 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000569622131 1040610870 /nfs/dbraw/zinc/61/08/70/1040610870.db2.gz WALRPYGVXUIKHA-CQSZACIVSA-N 1 2 326.444 3.606 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2C)c(Br)c1 ZINC000247578487 1040616707 /nfs/dbraw/zinc/61/67/07/1040616707.db2.gz SNSKVHSZQHNPTN-VXGBXAGGSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2C)c(Br)c1 ZINC000247578487 1040616712 /nfs/dbraw/zinc/61/67/12/1040616712.db2.gz SNSKVHSZQHNPTN-VXGBXAGGSA-N 1 2 325.250 3.569 20 0 EHADLO S=c1n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc(-c2ccncc2)n1C1CC1 ZINC000151182523 1040630825 /nfs/dbraw/zinc/63/08/25/1040630825.db2.gz HUYAALNOIHVRQD-GASCZTMLSA-N 1 2 341.484 3.500 20 0 EHADLO S=c1n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc(-c2ccncc2)n1C1CC1 ZINC000151182523 1040630839 /nfs/dbraw/zinc/63/08/39/1040630839.db2.gz HUYAALNOIHVRQD-GASCZTMLSA-N 1 2 341.484 3.500 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(F)(c3cccc(OC)c3)CC2)n1 ZINC000500164063 1040633603 /nfs/dbraw/zinc/63/36/03/1040633603.db2.gz SXRXXVHWTCRDQA-UHFFFAOYSA-N 1 2 347.434 3.882 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000553990812 1040647927 /nfs/dbraw/zinc/64/79/27/1040647927.db2.gz HOFISJVBPJQKFG-SFHVURJKSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000553990812 1040647932 /nfs/dbraw/zinc/64/79/32/1040647932.db2.gz HOFISJVBPJQKFG-SFHVURJKSA-N 1 2 328.481 3.756 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487029654 1040661673 /nfs/dbraw/zinc/66/16/73/1040661673.db2.gz DHGNCNQAAJODJR-HWKANZROSA-N 1 2 335.382 3.731 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428721602 1040686072 /nfs/dbraw/zinc/68/60/72/1040686072.db2.gz NRWNQIFPLHPZEQ-HZUKXOBISA-N 1 2 340.439 3.713 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428721602 1040686081 /nfs/dbraw/zinc/68/60/81/1040686081.db2.gz NRWNQIFPLHPZEQ-HZUKXOBISA-N 1 2 340.439 3.713 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)n1 ZINC000481353835 1040732088 /nfs/dbraw/zinc/73/20/88/1040732088.db2.gz WJKWSNPFAVCIMB-SJCJKPOMSA-N 1 2 337.851 3.931 20 0 EHADLO C[S@@](=O)CC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000828037348 1040762943 /nfs/dbraw/zinc/76/29/43/1040762943.db2.gz ZZJCYSJCKAKTNJ-PGRDOPGGSA-N 1 2 333.884 3.818 20 0 EHADLO C[S@@](=O)CC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000828037348 1040762961 /nfs/dbraw/zinc/76/29/61/1040762961.db2.gz ZZJCYSJCKAKTNJ-PGRDOPGGSA-N 1 2 333.884 3.818 20 0 EHADLO Cc1sc(NC(=O)C[C@@H](C)n2cc[nH+]c2)nc1-c1ccccc1 ZINC000614227333 1040766680 /nfs/dbraw/zinc/76/66/80/1040766680.db2.gz CVOXFXYZWBXXBB-GFCCVEGCSA-N 1 2 326.425 3.905 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1-c1ccccc1 ZINC000490910567 1040815674 /nfs/dbraw/zinc/81/56/74/1040815674.db2.gz NHVQGYVKHVBQJC-QGZVFWFLSA-N 1 2 348.450 3.746 20 0 EHADLO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000411421544 1040849204 /nfs/dbraw/zinc/84/92/04/1040849204.db2.gz KVOXPSBXGPGHDH-KRWDZBQOSA-N 1 2 349.459 3.649 20 0 EHADLO CCCOc1cccc(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001211783628 1040860445 /nfs/dbraw/zinc/86/04/45/1040860445.db2.gz WRSFXLMPYWJRKU-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000248986112 1040885134 /nfs/dbraw/zinc/88/51/34/1040885134.db2.gz GIELVDSQFDIKJA-LKTVYLICSA-N 1 2 333.819 3.781 20 0 EHADLO Cc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1C ZINC000043136707 1040886498 /nfs/dbraw/zinc/88/64/98/1040886498.db2.gz QJEHAGHWZKOEIU-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CC[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCCC1 ZINC000909280812 1040921246 /nfs/dbraw/zinc/92/12/46/1040921246.db2.gz RYVLOCZBPGFRHL-IBGZPJMESA-N 1 2 340.471 3.694 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000491118669 1040931970 /nfs/dbraw/zinc/93/19/70/1040931970.db2.gz UKFSYSTYIXXOHZ-ZFWWWQNUSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000491118669 1040931992 /nfs/dbraw/zinc/93/19/92/1040931992.db2.gz UKFSYSTYIXXOHZ-ZFWWWQNUSA-N 1 2 337.464 3.559 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC(C)(C)O1 ZINC000491133771 1040941427 /nfs/dbraw/zinc/94/14/27/1040941427.db2.gz INBFYTDZWWILBJ-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC(C)(C)O1 ZINC000491133771 1040941445 /nfs/dbraw/zinc/94/14/45/1040941445.db2.gz INBFYTDZWWILBJ-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO O=C(/C=C/c1ccncc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000491183179 1040950238 /nfs/dbraw/zinc/95/02/38/1040950238.db2.gz ARHPOWAKOBIJDF-RUDMXATFSA-N 1 2 344.418 3.933 20 0 EHADLO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(Cl)c1F ZINC000411548704 1040971258 /nfs/dbraw/zinc/97/12/58/1040971258.db2.gz YNOZFEDENNHKIZ-UHFFFAOYSA-N 1 2 345.823 3.501 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH+]c12 ZINC000586720677 1040988426 /nfs/dbraw/zinc/98/84/26/1040988426.db2.gz YPPRBBBTYASVIG-GVDBMIGSSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000042329524 1041003858 /nfs/dbraw/zinc/00/38/58/1041003858.db2.gz IKNVMXHXFQRQDB-HXUWFJFHSA-N 1 2 326.440 3.596 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)o1 ZINC000042329524 1041003879 /nfs/dbraw/zinc/00/38/79/1041003879.db2.gz IKNVMXHXFQRQDB-HXUWFJFHSA-N 1 2 326.440 3.596 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)s1 ZINC000481512695 1041006492 /nfs/dbraw/zinc/00/64/92/1041006492.db2.gz BUGBJNILOHTZDX-ZDUSSCGKSA-N 1 2 335.448 3.846 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)s1 ZINC000481512695 1041006507 /nfs/dbraw/zinc/00/65/07/1041006507.db2.gz BUGBJNILOHTZDX-ZDUSSCGKSA-N 1 2 335.448 3.846 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514557 1041013630 /nfs/dbraw/zinc/01/36/30/1041013630.db2.gz ZSMSQUFYNWUOOV-BBRMVZONSA-N 1 2 330.453 3.584 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514557 1041013651 /nfs/dbraw/zinc/01/36/51/1041013651.db2.gz ZSMSQUFYNWUOOV-BBRMVZONSA-N 1 2 330.453 3.584 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419271788 1041036450 /nfs/dbraw/zinc/03/64/50/1041036450.db2.gz AEHYMXSJFFLNER-KBXCAEBGSA-N 1 2 344.455 3.661 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)oc1C ZINC000433197264 1041043795 /nfs/dbraw/zinc/04/37/95/1041043795.db2.gz QXJAFSVXMFXPEE-ZDUSSCGKSA-N 1 2 329.396 3.639 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCOc3ccc(C)cc3C2)oc1C ZINC000433197264 1041043802 /nfs/dbraw/zinc/04/38/02/1041043802.db2.gz QXJAFSVXMFXPEE-ZDUSSCGKSA-N 1 2 329.396 3.639 20 0 EHADLO C[C@@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)c1cnccn1 ZINC000894128428 1041062059 /nfs/dbraw/zinc/06/20/59/1041062059.db2.gz OCTHNQBODNLONU-CQSZACIVSA-N 1 2 339.468 3.738 20 0 EHADLO C[C@@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)c1cnccn1 ZINC000894128428 1041062076 /nfs/dbraw/zinc/06/20/76/1041062076.db2.gz OCTHNQBODNLONU-CQSZACIVSA-N 1 2 339.468 3.738 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1Cl ZINC000668792204 1041062729 /nfs/dbraw/zinc/06/27/29/1041062729.db2.gz PIHHIJPDPQFVIW-CPUCHLNUSA-N 1 2 331.847 3.691 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(C)n(Cc3ccccc3)c2=S)C1 ZINC000126231607 1041063348 /nfs/dbraw/zinc/06/33/48/1041063348.db2.gz LESFOASLUUSDIZ-MRXNPFEDSA-N 1 2 330.501 3.850 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(Cc3ccccc3)c2=S)C1 ZINC000126231607 1041063362 /nfs/dbraw/zinc/06/33/62/1041063362.db2.gz LESFOASLUUSDIZ-MRXNPFEDSA-N 1 2 330.501 3.850 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(-c2ccccc2Cl)n1 ZINC000509815343 1041077322 /nfs/dbraw/zinc/07/73/22/1041077322.db2.gz RHVVXOBJMGEFMM-MSOLQXFVSA-N 1 2 345.874 3.884 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(-c2ccccc2Cl)n1 ZINC000509815343 1041077341 /nfs/dbraw/zinc/07/73/41/1041077341.db2.gz RHVVXOBJMGEFMM-MSOLQXFVSA-N 1 2 345.874 3.884 20 0 EHADLO CSc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433218784 1041104189 /nfs/dbraw/zinc/10/41/89/1041104189.db2.gz JXDBAZMKMWMOCP-UHFFFAOYSA-N 1 2 337.448 3.835 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000899782062 1041104758 /nfs/dbraw/zinc/10/47/58/1041104758.db2.gz JAOGVMVPEYUUCB-QGZVFWFLSA-N 1 2 343.471 3.812 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000899782060 1041105641 /nfs/dbraw/zinc/10/56/41/1041105641.db2.gz JAOGVMVPEYUUCB-KRWDZBQOSA-N 1 2 343.471 3.812 20 0 EHADLO CC(C)C(CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000425289383 1041154124 /nfs/dbraw/zinc/15/41/24/1041154124.db2.gz ZKPAZATXTFTSNN-QGZVFWFLSA-N 1 2 327.472 3.976 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419296935 1041161257 /nfs/dbraw/zinc/16/12/57/1041161257.db2.gz YGDIPJZOPNWWJW-LIRRHRJNSA-N 1 2 344.455 3.661 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)n2)c(F)c1 ZINC000487911510 1041175804 /nfs/dbraw/zinc/17/58/04/1041175804.db2.gz LPPSNPWWHNZQFE-QGZVFWFLSA-N 1 2 347.409 3.542 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)n2)c(F)c1 ZINC000487911510 1041175812 /nfs/dbraw/zinc/17/58/12/1041175812.db2.gz LPPSNPWWHNZQFE-QGZVFWFLSA-N 1 2 347.409 3.542 20 0 EHADLO CCC[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000600429075 1041205626 /nfs/dbraw/zinc/20/56/26/1041205626.db2.gz OZCUXOUQFATGQI-LSDHHAIUSA-N 1 2 338.442 3.872 20 0 EHADLO CCC[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000600429075 1041205637 /nfs/dbraw/zinc/20/56/37/1041205637.db2.gz OZCUXOUQFATGQI-LSDHHAIUSA-N 1 2 338.442 3.872 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571213557 1041257554 /nfs/dbraw/zinc/25/75/54/1041257554.db2.gz IJGIPYIKOCJRMD-HLLBOEOZSA-N 1 2 343.858 3.551 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481720100 1041284461 /nfs/dbraw/zinc/28/44/61/1041284461.db2.gz DOKCDJVIMFOIJP-UHFFFAOYSA-N 1 2 325.383 3.660 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481720100 1041284469 /nfs/dbraw/zinc/28/44/69/1041284469.db2.gz DOKCDJVIMFOIJP-UHFFFAOYSA-N 1 2 325.383 3.660 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1c(C)nn(C)c1C ZINC000433334591 1041297776 /nfs/dbraw/zinc/29/77/76/1041297776.db2.gz HWYIKNSNUCNKDG-SNVBAGLBSA-N 1 2 332.395 3.753 20 0 EHADLO Oc1ccc(F)c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1F ZINC000509729278 1041322364 /nfs/dbraw/zinc/32/23/64/1041322364.db2.gz OJOYNDHZPWDULL-UHFFFAOYSA-N 1 2 333.256 3.859 20 0 EHADLO OCCC[N@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCCc2ccccc21 ZINC000508821603 1041354966 /nfs/dbraw/zinc/35/49/66/1041354966.db2.gz HLSBVMZCMVYTFX-GOSISDBHSA-N 1 2 347.405 3.932 20 0 EHADLO OCCC[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCCc2ccccc21 ZINC000508821603 1041354977 /nfs/dbraw/zinc/35/49/77/1041354977.db2.gz HLSBVMZCMVYTFX-GOSISDBHSA-N 1 2 347.405 3.932 20 0 EHADLO C[C@H](CC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000576283263 1041425005 /nfs/dbraw/zinc/42/50/05/1041425005.db2.gz IAOYWZAWVWETJH-HIFRSBDPSA-N 1 2 339.361 3.687 20 0 EHADLO COc1ccc(C[N@H+](Cc2coc(C)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000660487127 1041559697 /nfs/dbraw/zinc/55/96/97/1041559697.db2.gz MKPRQPFCAIFIAV-ZDUSSCGKSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2coc(C)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000660487127 1041559702 /nfs/dbraw/zinc/55/97/02/1041559702.db2.gz MKPRQPFCAIFIAV-ZDUSSCGKSA-N 1 2 330.428 3.801 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)oc1C ZINC000292387303 1041593120 /nfs/dbraw/zinc/59/31/20/1041593120.db2.gz HVCAOLRXTGRCFI-NSHDSACASA-N 1 2 334.441 3.870 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](CC(N)=O)C3CCCC3)cs2)cc1 ZINC000047274176 1041604747 /nfs/dbraw/zinc/60/47/47/1041604747.db2.gz OZKKKRVRCQKVQE-UHFFFAOYSA-N 1 2 343.496 3.602 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](CC(N)=O)C3CCCC3)cs2)cc1 ZINC000047274176 1041604755 /nfs/dbraw/zinc/60/47/55/1041604755.db2.gz OZKKKRVRCQKVQE-UHFFFAOYSA-N 1 2 343.496 3.602 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(CN3CCn4c[nH+]cc4C3)co2)cc1 ZINC000660582183 1041704101 /nfs/dbraw/zinc/70/41/01/1041704101.db2.gz PXYUYBBZBUKFPU-UHFFFAOYSA-N 1 2 348.328 3.573 20 0 EHADLO CC(C)(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccsc1 ZINC000661135817 1041963209 /nfs/dbraw/zinc/96/32/09/1041963209.db2.gz KMAVDDWNDFLILR-UHFFFAOYSA-N 1 2 337.510 3.823 20 0 EHADLO CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccsc1 ZINC000661135817 1041963213 /nfs/dbraw/zinc/96/32/13/1041963213.db2.gz KMAVDDWNDFLILR-UHFFFAOYSA-N 1 2 337.510 3.823 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(c3ccco3)CC2)c1 ZINC000661160700 1041975514 /nfs/dbraw/zinc/97/55/14/1041975514.db2.gz ARZLURVVECJSCI-UHFFFAOYSA-N 1 2 347.480 3.631 20 0 EHADLO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000661425052 1042114396 /nfs/dbraw/zinc/11/43/96/1042114396.db2.gz ROYDOIGDTGKWQZ-HOCLYGCPSA-N 1 2 331.485 3.697 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)C1CC1 ZINC000661445399 1042123498 /nfs/dbraw/zinc/12/34/98/1042123498.db2.gz GRZBOCXCZNXJFR-QRWLVFNGSA-N 1 2 342.483 3.986 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1)C1CC1 ZINC000661445399 1042123501 /nfs/dbraw/zinc/12/35/01/1042123501.db2.gz GRZBOCXCZNXJFR-QRWLVFNGSA-N 1 2 342.483 3.986 20 0 EHADLO Cc1cccn2c(=O)cc(C[N@@H+]3CC4(CCCC4)[C@H]3c3ccco3)nc12 ZINC000661446576 1042125023 /nfs/dbraw/zinc/12/50/23/1042125023.db2.gz PWUQKBHGSCHXJY-LJQANCHMSA-N 1 2 349.434 3.713 20 0 EHADLO Cc1cccn2c(=O)cc(C[N@H+]3CC4(CCCC4)[C@H]3c3ccco3)nc12 ZINC000661446576 1042125029 /nfs/dbraw/zinc/12/50/29/1042125029.db2.gz PWUQKBHGSCHXJY-LJQANCHMSA-N 1 2 349.434 3.713 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1F ZINC000651892742 1042150716 /nfs/dbraw/zinc/15/07/16/1042150716.db2.gz LPXBEFLWIXOZKB-BBATYDOGSA-N 1 2 347.821 3.578 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515177 1042161334 /nfs/dbraw/zinc/16/13/34/1042161334.db2.gz ZPVACALOAKUIGG-KSMMKXTCSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515177 1042161341 /nfs/dbraw/zinc/16/13/41/1042161341.db2.gz ZPVACALOAKUIGG-KSMMKXTCSA-N 1 2 344.405 3.978 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511885 1042164968 /nfs/dbraw/zinc/16/49/68/1042164968.db2.gz NFEHEIXRAJYFGY-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511885 1042164969 /nfs/dbraw/zinc/16/49/69/1042164969.db2.gz NFEHEIXRAJYFGY-DNVCBOLYSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cncc(OCc3ccccc3)c2)s1 ZINC000278845745 1042170395 /nfs/dbraw/zinc/17/03/95/1042170395.db2.gz LLYDCJXWLDAFGZ-CYBMUJFWSA-N 1 2 340.452 3.671 20 0 EHADLO Cc1ncccc1C[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661637011 1042225933 /nfs/dbraw/zinc/22/59/33/1042225933.db2.gz AVNNPIRKKUMJBG-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ncccc1C[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661637011 1042225937 /nfs/dbraw/zinc/22/59/37/1042225937.db2.gz AVNNPIRKKUMJBG-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cncc(C[N@@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000661643655 1042233299 /nfs/dbraw/zinc/23/32/99/1042233299.db2.gz PDGDPEUOONBWNP-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cncc(C[N@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000661643655 1042233305 /nfs/dbraw/zinc/23/33/05/1042233305.db2.gz PDGDPEUOONBWNP-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)cc1F ZINC000661662168 1042241015 /nfs/dbraw/zinc/24/10/15/1042241015.db2.gz VAHGVZDRWNWOHD-QGZVFWFLSA-N 1 2 325.387 3.819 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3n2)cc1F ZINC000661662168 1042241020 /nfs/dbraw/zinc/24/10/20/1042241020.db2.gz VAHGVZDRWNWOHD-QGZVFWFLSA-N 1 2 325.387 3.819 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC000473134679 1042263140 /nfs/dbraw/zinc/26/31/40/1042263140.db2.gz ZQLSQEKCSFTXQG-UHFFFAOYSA-N 1 2 327.399 3.935 20 0 EHADLO Fc1cccc([C@@H]2COCC[N@@H+]2CCc2noc3ccccc32)c1 ZINC000661737178 1042292121 /nfs/dbraw/zinc/29/21/21/1042292121.db2.gz SIUCJKSZJYWKRC-SFHVURJKSA-N 1 2 326.371 3.583 20 0 EHADLO Fc1cccc([C@@H]2COCC[N@H+]2CCc2noc3ccccc32)c1 ZINC000661737178 1042292124 /nfs/dbraw/zinc/29/21/24/1042292124.db2.gz SIUCJKSZJYWKRC-SFHVURJKSA-N 1 2 326.371 3.583 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCO[C@H]1CCCCO1 ZINC000661736246 1042292803 /nfs/dbraw/zinc/29/28/03/1042292803.db2.gz NSONLWSPPIWUFT-MSOLQXFVSA-N 1 2 337.435 3.521 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCO[C@H]1CCCCO1 ZINC000661736246 1042292806 /nfs/dbraw/zinc/29/28/06/1042292806.db2.gz NSONLWSPPIWUFT-MSOLQXFVSA-N 1 2 337.435 3.521 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C[C@H](C)O1 ZINC000661856109 1042369316 /nfs/dbraw/zinc/36/93/16/1042369316.db2.gz DOXQUWLNSSOTMX-CABCVRRESA-N 1 2 332.469 3.721 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@H](C)O1 ZINC000661856109 1042369323 /nfs/dbraw/zinc/36/93/23/1042369323.db2.gz DOXQUWLNSSOTMX-CABCVRRESA-N 1 2 332.469 3.721 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1csc(Br)c1)CC2 ZINC000661954935 1042429934 /nfs/dbraw/zinc/42/99/34/1042429934.db2.gz RESIDKLTVDCRPN-UHFFFAOYSA-N 1 2 328.275 3.846 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC000661955152 1042430437 /nfs/dbraw/zinc/43/04/37/1042430437.db2.gz USPQJUXFFBQWKT-UHFFFAOYSA-N 1 2 340.236 3.923 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000661985657 1042446229 /nfs/dbraw/zinc/44/62/29/1042446229.db2.gz VNWWNQGPQJJMQF-CYBMUJFWSA-N 1 2 347.846 3.924 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000661985657 1042446231 /nfs/dbraw/zinc/44/62/31/1042446231.db2.gz VNWWNQGPQJJMQF-CYBMUJFWSA-N 1 2 347.846 3.924 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(C)c1 ZINC000661998373 1042455501 /nfs/dbraw/zinc/45/55/01/1042455501.db2.gz VDZOAHHODHYUOQ-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(C)c1 ZINC000661998373 1042455504 /nfs/dbraw/zinc/45/55/04/1042455504.db2.gz VDZOAHHODHYUOQ-MRXNPFEDSA-N 1 2 342.483 3.521 20 0 EHADLO Fc1cccc(F)c1-c1nc(C[NH+]2CCC(c3ccon3)CC2)co1 ZINC000662048554 1042481085 /nfs/dbraw/zinc/48/10/85/1042481085.db2.gz ZIFHRKKYHPHPAJ-UHFFFAOYSA-N 1 2 345.349 3.987 20 0 EHADLO c1ccc2c(c1)CCC1(CC[NH+](Cc3nnc(C4CC4)s3)CC1)O2 ZINC000662049128 1042481888 /nfs/dbraw/zinc/48/18/88/1042481888.db2.gz RVEOKIOGNHFEBJ-UHFFFAOYSA-N 1 2 341.480 3.775 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000662051259 1042486335 /nfs/dbraw/zinc/48/63/35/1042486335.db2.gz ZKDFVDPPOREFFG-AWEZNQCLSA-N 1 2 327.428 3.553 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(Cl)c1 ZINC000662064542 1042492775 /nfs/dbraw/zinc/49/27/75/1042492775.db2.gz SPTXEOGQOATNCA-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(Cl)c1 ZINC000662064542 1042492778 /nfs/dbraw/zinc/49/27/78/1042492778.db2.gz SPTXEOGQOATNCA-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)CCC2CC2)nc1-c1ccncc1 ZINC000162873934 1042604176 /nfs/dbraw/zinc/60/41/76/1042604176.db2.gz IOLNKLANUFVNKH-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)CCC2CC2)nc1-c1ccncc1 ZINC000162873934 1042604178 /nfs/dbraw/zinc/60/41/78/1042604178.db2.gz IOLNKLANUFVNKH-UHFFFAOYSA-N 1 2 331.489 3.575 20 0 EHADLO COc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC(F)F)c1 ZINC000188417862 1042608188 /nfs/dbraw/zinc/60/81/88/1042608188.db2.gz RDZCMJZFMDOXKZ-UHFFFAOYSA-N 1 2 336.338 3.869 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+](C)CC3=CCSC3)o2)cc1C ZINC000662269613 1042646730 /nfs/dbraw/zinc/64/67/30/1042646730.db2.gz IHXXEPUMJUKSQC-UHFFFAOYSA-N 1 2 335.498 3.774 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+](C)CC3=CCSC3)o2)cc1C ZINC000662269613 1042646733 /nfs/dbraw/zinc/64/67/33/1042646733.db2.gz IHXXEPUMJUKSQC-UHFFFAOYSA-N 1 2 335.498 3.774 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000161791343 1042683128 /nfs/dbraw/zinc/68/31/28/1042683128.db2.gz HHRUSGUGOQKOBM-UHFFFAOYSA-N 1 2 347.353 3.858 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)s1 ZINC000602781490 1042738803 /nfs/dbraw/zinc/73/88/03/1042738803.db2.gz ZKJYYOBJZCDBMB-GFCCVEGCSA-N 1 2 334.441 3.609 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](CC)[C@H](C)c2cccc(O)c2)s1 ZINC000602781490 1042738809 /nfs/dbraw/zinc/73/88/09/1042738809.db2.gz ZKJYYOBJZCDBMB-GFCCVEGCSA-N 1 2 334.441 3.609 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000066563883 1042769428 /nfs/dbraw/zinc/76/94/28/1042769428.db2.gz KVTKCQUWIBFZQK-MRXNPFEDSA-N 1 2 345.512 3.709 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000066563883 1042769430 /nfs/dbraw/zinc/76/94/30/1042769430.db2.gz KVTKCQUWIBFZQK-MRXNPFEDSA-N 1 2 345.512 3.709 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)n(CC)c2=S)C1 ZINC000162929439 1042771707 /nfs/dbraw/zinc/77/17/07/1042771707.db2.gz STNBTBOXJNHLET-ZDUSSCGKSA-N 1 2 334.464 3.929 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(CC)c2=S)C1 ZINC000162929439 1042771712 /nfs/dbraw/zinc/77/17/12/1042771712.db2.gz STNBTBOXJNHLET-ZDUSSCGKSA-N 1 2 334.464 3.929 20 0 EHADLO Cc1nc2ccc(NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2o1 ZINC000066963506 1042887615 /nfs/dbraw/zinc/88/76/15/1042887615.db2.gz BEHSCTZLMKBLKK-UHFFFAOYSA-N 1 2 347.378 3.644 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)[nH+]c12 ZINC000604257825 1042899510 /nfs/dbraw/zinc/89/95/10/1042899510.db2.gz OFMASRRKYSIEDN-AEFFLSMTSA-N 1 2 333.435 3.590 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)o1 ZINC000007696586 1042907515 /nfs/dbraw/zinc/90/75/15/1042907515.db2.gz MEEQOWUMYWVEHC-UHFFFAOYSA-N 1 2 328.456 3.502 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)o1 ZINC000007696586 1042907521 /nfs/dbraw/zinc/90/75/21/1042907521.db2.gz MEEQOWUMYWVEHC-UHFFFAOYSA-N 1 2 328.456 3.502 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1F ZINC000007912350 1042925950 /nfs/dbraw/zinc/92/59/50/1042925950.db2.gz BXTFXYAJCICBFP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1F ZINC000007912350 1042925955 /nfs/dbraw/zinc/92/59/55/1042925955.db2.gz BXTFXYAJCICBFP-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CC(C)(C)OC(=O)NC(C)(C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000310173400 1042967592 /nfs/dbraw/zinc/96/75/92/1042967592.db2.gz UPPAGZHIOCNYRV-UHFFFAOYSA-N 1 2 330.432 3.588 20 0 EHADLO Cc1nc(N[C@H](C)c2cnn(C(C)C)c2)c(Br)c(C)[nH+]1 ZINC000663597844 1043032719 /nfs/dbraw/zinc/03/27/19/1043032719.db2.gz JTRSTBKYHHPPAK-SECBINFHSA-N 1 2 338.253 3.806 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759967861 1043061873 /nfs/dbraw/zinc/06/18/73/1043061873.db2.gz DHDCFOPMAOMGLF-LLVKDONJSA-N 1 2 339.336 3.521 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000007619760 1043073180 /nfs/dbraw/zinc/07/31/80/1043073180.db2.gz GHUBXRVCGCDURR-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc4c(cccc4F)s3)sc2C1 ZINC000024152227 1043114820 /nfs/dbraw/zinc/11/48/20/1043114820.db2.gz MJQLGDZCLYOFCV-UHFFFAOYSA-N 1 2 347.440 3.737 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc4c(cccc4F)s3)sc2C1 ZINC000024152227 1043114825 /nfs/dbraw/zinc/11/48/25/1043114825.db2.gz MJQLGDZCLYOFCV-UHFFFAOYSA-N 1 2 347.440 3.737 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000278977813 1043117632 /nfs/dbraw/zinc/11/76/32/1043117632.db2.gz PDHQKWIKLORVDA-OAHLLOKOSA-N 1 2 346.452 3.534 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C3OCCO3)s2)cc1 ZINC000278977813 1043117641 /nfs/dbraw/zinc/11/76/41/1043117641.db2.gz PDHQKWIKLORVDA-OAHLLOKOSA-N 1 2 346.452 3.534 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+](C)Cc1ccccc1N(C)C ZINC000344078699 1043216541 /nfs/dbraw/zinc/21/65/41/1043216541.db2.gz YMYVFLZOACEZCY-UHFFFAOYSA-N 1 2 340.446 3.893 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+](C)Cc1ccccc1N(C)C ZINC000344078699 1043216550 /nfs/dbraw/zinc/21/65/50/1043216550.db2.gz YMYVFLZOACEZCY-UHFFFAOYSA-N 1 2 340.446 3.893 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279068188 1043300693 /nfs/dbraw/zinc/30/06/93/1043300693.db2.gz ZWAVTHFXHLOWCV-UWVGGRQHSA-N 1 2 337.411 3.507 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344240014 1043504898 /nfs/dbraw/zinc/50/48/98/1043504898.db2.gz ZNEGEQYTAJRQTA-FQEVSTJZSA-N 1 2 347.418 3.688 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000279266370 1043671636 /nfs/dbraw/zinc/67/16/36/1043671636.db2.gz UOZVEAYIBWOKEW-UHFFFAOYSA-N 1 2 332.835 3.625 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1csc(C)n1 ZINC000050931922 1043763669 /nfs/dbraw/zinc/76/36/69/1043763669.db2.gz LBPOUZHDNBLQGK-UHFFFAOYSA-N 1 2 341.436 3.813 20 0 EHADLO C[C@@H]1CCN(c2ccc(Nc3ccccc3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000663713983 1043791415 /nfs/dbraw/zinc/79/14/15/1043791415.db2.gz KKBSBQPNPMAQGO-NVXWUHKLSA-N 1 2 334.427 3.504 20 0 EHADLO CC(C)(C)c1coc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)n1 ZINC000893685739 1043876164 /nfs/dbraw/zinc/87/61/64/1043876164.db2.gz SCHUGTJWMOPMTF-HXUWFJFHSA-N 1 2 326.440 3.994 20 0 EHADLO CC(C)(C)c1coc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)n1 ZINC000893685739 1043876179 /nfs/dbraw/zinc/87/61/79/1043876179.db2.gz SCHUGTJWMOPMTF-HXUWFJFHSA-N 1 2 326.440 3.994 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OCC(C)C ZINC000344658944 1044247778 /nfs/dbraw/zinc/24/77/78/1044247778.db2.gz CFTLPUIXCRZUTL-UHFFFAOYSA-N 1 2 349.500 3.995 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000344662168 1044252162 /nfs/dbraw/zinc/25/21/62/1044252162.db2.gz FQHLSJUEMPBROY-UHFFFAOYSA-N 1 2 345.390 3.892 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000279581687 1044259335 /nfs/dbraw/zinc/25/93/35/1044259335.db2.gz UREGIJQTLDTWEN-RFGKEDTNSA-N 1 2 342.483 3.670 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cs1 ZINC000344688744 1044277867 /nfs/dbraw/zinc/27/78/67/1044277867.db2.gz DUBALXJBGFVMTD-LLVKDONJSA-N 1 2 346.481 3.659 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(OC(F)F)c2)cs1 ZINC000344699455 1044305140 /nfs/dbraw/zinc/30/51/40/1044305140.db2.gz OSJJDICIWXNFEB-SNVBAGLBSA-N 1 2 328.384 3.742 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cnc(N(C)C)s2)c2ccccn2)cc1 ZINC000279752842 1044530648 /nfs/dbraw/zinc/53/06/48/1044530648.db2.gz YVTNKVSNSJOWAL-SFHVURJKSA-N 1 2 338.480 3.792 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)noc1C ZINC000112350009 1044602243 /nfs/dbraw/zinc/60/22/43/1044602243.db2.gz PQYCBZONIAMIAB-UHFFFAOYSA-N 1 2 335.835 3.796 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1c(C)noc1C ZINC000112350009 1044602251 /nfs/dbraw/zinc/60/22/51/1044602251.db2.gz PQYCBZONIAMIAB-UHFFFAOYSA-N 1 2 335.835 3.796 20 0 EHADLO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)c2ccccc12 ZINC000112496636 1044608063 /nfs/dbraw/zinc/60/80/63/1044608063.db2.gz FFNZNZAUGDZWCH-UHFFFAOYSA-N 1 2 342.420 3.743 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)ccc1OCC(C)C ZINC000279775545 1044632635 /nfs/dbraw/zinc/63/26/35/1044632635.db2.gz TZJKINBBCBVFHX-OAHLLOKOSA-N 1 2 346.475 3.753 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccsc1Cl ZINC000613999732 1044647965 /nfs/dbraw/zinc/64/79/65/1044647965.db2.gz GANSZQNXUVFWKB-UHFFFAOYSA-N 1 2 325.865 3.713 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112793139 1044808871 /nfs/dbraw/zinc/80/88/71/1044808871.db2.gz OKAAOCZMDKSZHG-IAGOWNOFSA-N 1 2 339.345 3.893 20 0 EHADLO CCCCc1noc([C@@H](C)[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000153624338 1125639391 /nfs/dbraw/zinc/63/93/91/1125639391.db2.gz JFNCRZLCFMINJK-CYBMUJFWSA-N 1 2 331.416 3.724 20 0 EHADLO CCCCc1noc([C@@H](C)[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000153624338 1125639397 /nfs/dbraw/zinc/63/93/97/1125639397.db2.gz JFNCRZLCFMINJK-CYBMUJFWSA-N 1 2 331.416 3.724 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000153964272 1125679292 /nfs/dbraw/zinc/67/92/92/1125679292.db2.gz MUIUKWRJEPDVFB-QZTJIDSGSA-N 1 2 329.488 3.797 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000154735878 1125753265 /nfs/dbraw/zinc/75/32/65/1125753265.db2.gz UUFQSWZKSODKGE-AWEZNQCLSA-N 1 2 337.254 3.698 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000154816080 1125758471 /nfs/dbraw/zinc/75/84/71/1125758471.db2.gz CVINLDWXJGMBMK-ZFWWWQNUSA-N 1 2 346.475 3.544 20 0 EHADLO Cc1c(C(=O)N(C)CCCn2cc[nH+]c2)oc2c1c(C)ccc2C ZINC000154876817 1125762384 /nfs/dbraw/zinc/76/23/84/1125762384.db2.gz DTYPLXQWWKAVCG-UHFFFAOYSA-N 1 2 325.412 3.717 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCc2ccccc21 ZINC000734425900 1131233238 /nfs/dbraw/zinc/23/32/38/1131233238.db2.gz DLJNIOQBIUWUPT-SJLPKXTDSA-N 1 2 325.456 3.534 20 0 EHADLO CCc1ccccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546382 1126718991 /nfs/dbraw/zinc/71/89/91/1126718991.db2.gz UMKCIHBWPJJBDW-UHFFFAOYSA-N 1 2 342.870 3.691 20 0 EHADLO CCc1ccccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546382 1126718993 /nfs/dbraw/zinc/71/89/93/1126718993.db2.gz UMKCIHBWPJJBDW-UHFFFAOYSA-N 1 2 342.870 3.691 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983040 1126731476 /nfs/dbraw/zinc/73/14/76/1126731476.db2.gz HCXZUTLBMXOECU-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983040 1126731478 /nfs/dbraw/zinc/73/14/78/1126731478.db2.gz HCXZUTLBMXOECU-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO O[C@@H](COc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1Cl ZINC000185061958 1126747700 /nfs/dbraw/zinc/74/77/00/1126747700.db2.gz SLUIARBTVNGSSJ-KRWDZBQOSA-N 1 2 332.762 3.777 20 0 EHADLO Clc1cccnc1N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000172561247 1126799684 /nfs/dbraw/zinc/79/96/84/1126799684.db2.gz GQSCYOSZZMYLRM-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000671242950 1126812036 /nfs/dbraw/zinc/81/20/36/1126812036.db2.gz XIYGHOVVYPGAIG-VNQPRFMTSA-N 1 2 329.444 3.527 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000671242950 1126812038 /nfs/dbraw/zinc/81/20/38/1126812038.db2.gz XIYGHOVVYPGAIG-VNQPRFMTSA-N 1 2 329.444 3.527 20 0 EHADLO CC(C)Oc1ccc(CC[C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000623270779 1126906245 /nfs/dbraw/zinc/90/62/45/1126906245.db2.gz PHFRTHGNXFMPDR-KRWDZBQOSA-N 1 2 343.471 3.588 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(c2ccccc2)CCCCCC1 ZINC000623296977 1126910352 /nfs/dbraw/zinc/91/03/52/1126910352.db2.gz VDNKSSPTMCIVRB-SFHVURJKSA-N 1 2 337.467 3.606 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000192824240 1126939867 /nfs/dbraw/zinc/93/98/67/1126939867.db2.gz CXJPPVQIMOACGQ-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000192824240 1126939871 /nfs/dbraw/zinc/93/98/71/1126939871.db2.gz CXJPPVQIMOACGQ-UHFFFAOYSA-N 1 2 327.453 3.542 20 0 EHADLO CN(C)c1c(C[NH2+]Cc2ccn(C3CCCC3)n2)ccc(F)c1F ZINC000623455058 1126959101 /nfs/dbraw/zinc/95/91/01/1126959101.db2.gz ZSQBZTHQAXFIKG-UHFFFAOYSA-N 1 2 334.414 3.632 20 0 EHADLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000623486972 1126965339 /nfs/dbraw/zinc/96/53/39/1126965339.db2.gz OUJHOUXOBDUDGC-SFHVURJKSA-N 1 2 328.460 3.731 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000177959738 1127003543 /nfs/dbraw/zinc/00/35/43/1127003543.db2.gz YPNVOKWVGYWZMB-RBUKOAKNSA-N 1 2 348.450 3.545 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cncc(Br)c2)n1 ZINC000178688260 1127024824 /nfs/dbraw/zinc/02/48/24/1127024824.db2.gz GTMJAKVMGHYSJX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cncc(Br)c2)n1 ZINC000178688260 1127024828 /nfs/dbraw/zinc/02/48/28/1127024828.db2.gz GTMJAKVMGHYSJX-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1F ZINC000179198048 1127050118 /nfs/dbraw/zinc/05/01/18/1127050118.db2.gz FJMUVVAALVHNLL-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO C[S@@](=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000349862716 1127055241 /nfs/dbraw/zinc/05/52/41/1127055241.db2.gz XVDUQQKWAZKYGF-PGRDOPGGSA-N 1 2 331.506 3.714 20 0 EHADLO C[S@@](=O)c1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000349862716 1127055245 /nfs/dbraw/zinc/05/52/45/1127055245.db2.gz XVDUQQKWAZKYGF-PGRDOPGGSA-N 1 2 331.506 3.714 20 0 EHADLO COc1ccccc1C[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000179559500 1127071043 /nfs/dbraw/zinc/07/10/43/1127071043.db2.gz GSYVYIDGLCRJSC-UHFFFAOYSA-N 1 2 327.453 3.914 20 0 EHADLO COc1ccccc1C[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000179559500 1127071046 /nfs/dbraw/zinc/07/10/46/1127071046.db2.gz GSYVYIDGLCRJSC-UHFFFAOYSA-N 1 2 327.453 3.914 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179839506 1127095160 /nfs/dbraw/zinc/09/51/60/1127095160.db2.gz VGBHPPKCAFNKIE-UHFFFAOYSA-N 1 2 330.391 3.925 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C)C(=O)OC(C)(C)C ZINC000179843399 1127095256 /nfs/dbraw/zinc/09/52/56/1127095256.db2.gz FNWQVDYDSUIJNI-KSSFIOAISA-N 1 2 348.487 3.670 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351436449 1127178268 /nfs/dbraw/zinc/17/82/68/1127178268.db2.gz VHZUTVBVVVENBT-GUYCJALGSA-N 1 2 338.411 3.547 20 0 EHADLO CC(C)n1ccnc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000623799138 1127180960 /nfs/dbraw/zinc/18/09/60/1127180960.db2.gz QJCNJLQXKVEYNQ-HNNXBMFYSA-N 1 2 342.270 3.984 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc3ccccc3o2)[nH+]1 ZINC000185919097 1127202773 /nfs/dbraw/zinc/20/27/73/1127202773.db2.gz FYYSHEPDJLDORY-UHFFFAOYSA-N 1 2 339.391 3.942 20 0 EHADLO COCCc1ccc2oc(NCc3c[nH+]c4c(C)cccn34)nc2c1 ZINC000181866074 1127299971 /nfs/dbraw/zinc/29/99/71/1127299971.db2.gz NHABOLDZHDVHOU-UHFFFAOYSA-N 1 2 336.395 3.585 20 0 EHADLO Fc1ccc(Cc2nnc(NCCCNc3cccc[nH+]3)s2)cc1 ZINC000182256143 1127319385 /nfs/dbraw/zinc/31/93/85/1127319385.db2.gz VMKQJHQHOWMXCO-UHFFFAOYSA-N 1 2 343.431 3.577 20 0 EHADLO FC1(c2ccccn2)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624250026 1127339278 /nfs/dbraw/zinc/33/92/78/1127339278.db2.gz DOWMJPHPVZJNAD-UHFFFAOYSA-N 1 2 347.397 3.743 20 0 EHADLO CSc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182878561 1127351855 /nfs/dbraw/zinc/35/18/55/1127351855.db2.gz XAHSWAQCNJFRFF-CQSZACIVSA-N 1 2 329.469 3.813 20 0 EHADLO CCCOc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182881964 1127352222 /nfs/dbraw/zinc/35/22/22/1127352222.db2.gz WLRWKBDETKGONU-MRXNPFEDSA-N 1 2 341.455 3.880 20 0 EHADLO Clc1ccc2c(c1)CC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182884635 1127352570 /nfs/dbraw/zinc/35/25/70/1127352570.db2.gz YNPIYUXXRXPTBP-QGZVFWFLSA-N 1 2 329.831 3.671 20 0 EHADLO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)cc1 ZINC000183047166 1127360526 /nfs/dbraw/zinc/36/05/26/1127360526.db2.gz BJSNPTIEKZKSBI-CYBMUJFWSA-N 1 2 349.377 3.710 20 0 EHADLO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)cc1 ZINC000183047166 1127360530 /nfs/dbraw/zinc/36/05/30/1127360530.db2.gz BJSNPTIEKZKSBI-CYBMUJFWSA-N 1 2 349.377 3.710 20 0 EHADLO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184496302 1127406518 /nfs/dbraw/zinc/40/65/18/1127406518.db2.gz IFDQSNSEVYXBML-ZDUSSCGKSA-N 1 2 325.522 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1nc(-c2ccccc2)cs1 ZINC000184533858 1127407715 /nfs/dbraw/zinc/40/77/15/1127407715.db2.gz FXBLWUCSZDBSKM-ZDUSSCGKSA-N 1 2 335.436 3.704 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000184977651 1127417251 /nfs/dbraw/zinc/41/72/51/1127417251.db2.gz KHCPVGWDWISERO-HIFRSBDPSA-N 1 2 343.452 3.912 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185040733 1127418780 /nfs/dbraw/zinc/41/87/80/1127418780.db2.gz UUWBYTPYOGPUTC-RDJZCZTQSA-N 1 2 331.485 3.697 20 0 EHADLO Cc1ccccc1Oc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC000193179136 1127433875 /nfs/dbraw/zinc/43/38/75/1127433875.db2.gz XDWPSRLNXQZBCL-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1ccc2c(c1)CCCN2C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000764067050 1127440095 /nfs/dbraw/zinc/44/00/95/1127440095.db2.gz CYDVQUJNEPBVRD-UHFFFAOYSA-N 1 2 345.446 3.762 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764284808 1127473528 /nfs/dbraw/zinc/47/35/28/1127473528.db2.gz ORCTXZBOJPWKPD-VQTJNVASSA-N 1 2 341.451 3.655 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764284808 1127473531 /nfs/dbraw/zinc/47/35/31/1127473531.db2.gz ORCTXZBOJPWKPD-VQTJNVASSA-N 1 2 341.451 3.655 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765032465 1127565233 /nfs/dbraw/zinc/56/52/33/1127565233.db2.gz VZZCYQIFCRWZQJ-STQMWFEESA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765032465 1127565235 /nfs/dbraw/zinc/56/52/35/1127565235.db2.gz VZZCYQIFCRWZQJ-STQMWFEESA-N 1 2 334.464 3.928 20 0 EHADLO Cc1ccc(NC(=O)CCOc2ccccc2Cl)c(N(C)C)[nH+]1 ZINC000749996098 1127587141 /nfs/dbraw/zinc/58/71/41/1127587141.db2.gz MQYBQHAGJDMITE-UHFFFAOYSA-N 1 2 333.819 3.517 20 0 EHADLO O=C(c1ccc2ccccc2c1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357922 1127667950 /nfs/dbraw/zinc/66/79/50/1127667950.db2.gz FWNNTDACSICIMN-UHFFFAOYSA-N 1 2 346.430 3.503 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000023706389 1127698926 /nfs/dbraw/zinc/69/89/26/1127698926.db2.gz GSWLJJKTIKUEFU-UHFFFAOYSA-N 1 2 349.390 3.592 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000023706389 1127698928 /nfs/dbraw/zinc/69/89/28/1127698928.db2.gz GSWLJJKTIKUEFU-UHFFFAOYSA-N 1 2 349.390 3.592 20 0 EHADLO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050131 1127702030 /nfs/dbraw/zinc/70/20/30/1127702030.db2.gz IWCXUALHLXMGGM-UHFFFAOYSA-N 1 2 345.324 3.821 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2nc3cc(Cl)ccc3s2)c1Cl ZINC000921593356 1127755935 /nfs/dbraw/zinc/75/59/35/1127755935.db2.gz QOMARNTVOHTSPR-UHFFFAOYSA-N 1 2 341.267 3.935 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2F)cc1 ZINC000026481767 1127772464 /nfs/dbraw/zinc/77/24/64/1127772464.db2.gz IYDSXGVOBKKTHS-CQSZACIVSA-N 1 2 330.403 3.683 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2F)cc1 ZINC000026481767 1127772466 /nfs/dbraw/zinc/77/24/66/1127772466.db2.gz IYDSXGVOBKKTHS-CQSZACIVSA-N 1 2 330.403 3.683 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cs1 ZINC000671666107 1127786909 /nfs/dbraw/zinc/78/69/09/1127786909.db2.gz ULAHKBZFUFSODJ-UHFFFAOYSA-N 1 2 327.409 3.584 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265585357 1127797253 /nfs/dbraw/zinc/79/72/53/1127797253.db2.gz DNBPUVZGJOYZGP-QFBILLFUSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265628669 1127875848 /nfs/dbraw/zinc/87/58/48/1127875848.db2.gz DRVNZMBGPAMNIF-ZDUSSCGKSA-N 1 2 337.427 3.920 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265628669 1127875851 /nfs/dbraw/zinc/87/58/51/1127875851.db2.gz DRVNZMBGPAMNIF-ZDUSSCGKSA-N 1 2 337.427 3.920 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000041645945 1127876871 /nfs/dbraw/zinc/87/68/71/1127876871.db2.gz XFUWWWQMZJWZNH-UHFFFAOYSA-N 1 2 348.830 3.770 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccccc2)no1 ZINC000041807610 1127878495 /nfs/dbraw/zinc/87/84/95/1127878495.db2.gz YPJYPIVTZYIAAE-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+]Cc3nc(C(C)(C)C)co3)cnc21 ZINC000921634312 1127911564 /nfs/dbraw/zinc/91/15/64/1127911564.db2.gz ICIAEQSUEAMNSW-UHFFFAOYSA-N 1 2 327.432 3.588 20 0 EHADLO CC[C@H]1CCCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043518118 1127921341 /nfs/dbraw/zinc/92/13/41/1127921341.db2.gz PUOPIZOGUSIHPE-HNNXBMFYSA-N 1 2 336.505 3.925 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517860 1127921637 /nfs/dbraw/zinc/92/16/37/1127921637.db2.gz HKSIEVCWJFGIMB-DZGCQCFKSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044437943 1127937159 /nfs/dbraw/zinc/93/71/59/1127937159.db2.gz RTGYQEXPOMEPMZ-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044437943 1127937162 /nfs/dbraw/zinc/93/71/62/1127937162.db2.gz RTGYQEXPOMEPMZ-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO CC(C)c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045955928 1127964537 /nfs/dbraw/zinc/96/45/37/1127964537.db2.gz KTWFPFAYFNDYTA-UHFFFAOYSA-N 1 2 338.455 3.996 20 0 EHADLO Cc1ccsc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046341628 1127976296 /nfs/dbraw/zinc/97/62/96/1127976296.db2.gz RKDTZGRSYOSPBS-HUUCEWRRSA-N 1 2 344.480 3.918 20 0 EHADLO Clc1ccc2ncccc2c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360229 1127979985 /nfs/dbraw/zinc/97/99/85/1127979985.db2.gz PHYHQYHWVBVIIH-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616586 1127984083 /nfs/dbraw/zinc/98/40/83/1127984083.db2.gz SMVCHQVTOFKUOR-RMKNXTFCSA-N 1 2 341.842 3.533 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]1c1ccccc1 ZINC000046921729 1127995026 /nfs/dbraw/zinc/99/50/26/1127995026.db2.gz VVDQKADFHHRFRN-FQEVSTJZSA-N 1 2 346.434 3.588 20 0 EHADLO Clc1cnc2c(cccc2Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212362288 1127995275 /nfs/dbraw/zinc/99/52/75/1127995275.db2.gz JDPDXDOHORDVIP-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(NCCc1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047241228 1128004356 /nfs/dbraw/zinc/00/43/56/1128004356.db2.gz LAIBEHWBKARLSE-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO Cc1ncccc1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000347531407 1128046515 /nfs/dbraw/zinc/04/65/15/1128046515.db2.gz LTZGSHBVQWHCDW-OAHLLOKOSA-N 1 2 328.803 3.744 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1OC1CCCC1 ZINC000282189803 1128047981 /nfs/dbraw/zinc/04/79/81/1128047981.db2.gz NIJQKBHHBDUGIS-OAHLLOKOSA-N 1 2 343.471 3.909 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(C)c2C)c1C ZINC000058601098 1128072925 /nfs/dbraw/zinc/07/29/25/1128072925.db2.gz YCDGEENXNLRFEE-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000058644219 1128075416 /nfs/dbraw/zinc/07/54/16/1128075416.db2.gz CMBVVGVZMVXLTR-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000058644219 1128075420 /nfs/dbraw/zinc/07/54/20/1128075420.db2.gz CMBVVGVZMVXLTR-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO O=C(Nc1ccc2ccccc2n1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058975156 1128087284 /nfs/dbraw/zinc/08/72/84/1128087284.db2.gz UBKRWLTXCHMIKW-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CCn1ccnc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000060381407 1128099444 /nfs/dbraw/zinc/09/94/44/1128099444.db2.gz NQSVCNMVHREYRR-UHFFFAOYSA-N 1 2 338.430 3.682 20 0 EHADLO CCn1ccnc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000060381407 1128099445 /nfs/dbraw/zinc/09/94/45/1128099445.db2.gz NQSVCNMVHREYRR-UHFFFAOYSA-N 1 2 338.430 3.682 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(NCCCCNc2cccc[nH+]2)n1 ZINC000338663420 1128125784 /nfs/dbraw/zinc/12/57/84/1128125784.db2.gz QXGLOWGFVPVJCV-UHFFFAOYSA-N 1 2 342.443 3.736 20 0 EHADLO FC(F)(C[NH2+]Cc1ccccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000671727524 1128140990 /nfs/dbraw/zinc/14/09/90/1128140990.db2.gz PADAHPGMUMJKLN-UHFFFAOYSA-N 1 2 348.784 3.802 20 0 EHADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000155447098 1128142949 /nfs/dbraw/zinc/14/29/49/1128142949.db2.gz OBWLHDJCUSUQFK-RYUDHWBXSA-N 1 2 349.887 3.628 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1Cc1ccccc1 ZINC000063706944 1128152906 /nfs/dbraw/zinc/15/29/06/1128152906.db2.gz KOZXXPCIEUMLSS-UHFFFAOYSA-N 1 2 331.419 3.514 20 0 EHADLO CCCN(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000064047141 1128162439 /nfs/dbraw/zinc/16/24/39/1128162439.db2.gz RKJUYYSTLAVNOA-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)nc2ccccc12 ZINC000671745540 1128184870 /nfs/dbraw/zinc/18/48/70/1128184870.db2.gz ZRMCZHRGEMGJGY-LLVKDONJSA-N 1 2 334.379 3.636 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000110054021 1128252009 /nfs/dbraw/zinc/25/20/09/1128252009.db2.gz VNNYZFWBTQMDGE-INIZCTEOSA-N 1 2 338.451 3.859 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000110054021 1128252011 /nfs/dbraw/zinc/25/20/11/1128252011.db2.gz VNNYZFWBTQMDGE-INIZCTEOSA-N 1 2 338.451 3.859 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2ccc(Cl)cc2[nH]1 ZINC000068419795 1128266101 /nfs/dbraw/zinc/26/61/01/1128266101.db2.gz FXOZUZIWESJRJU-UHFFFAOYSA-N 1 2 342.830 3.838 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cs1 ZINC000066877463 1128229841 /nfs/dbraw/zinc/22/98/41/1128229841.db2.gz HGKCIKJVFRNATI-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO CCCc1nc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cs1 ZINC000066951268 1128230116 /nfs/dbraw/zinc/23/01/16/1128230116.db2.gz MEZWYSDOMMQUDD-UHFFFAOYSA-N 1 2 349.544 3.757 20 0 EHADLO Cc1oc(C(C)C)cc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000671757635 1128235149 /nfs/dbraw/zinc/23/51/49/1128235149.db2.gz OOWLJAXYUJBWCX-UHFFFAOYSA-N 1 2 325.412 3.640 20 0 EHADLO COc1cc(C[NH+]2CCN(c3nc(C)cs3)CC2)ccc1SC ZINC000068807048 1128275757 /nfs/dbraw/zinc/27/57/57/1128275757.db2.gz GWBUZVLJROTGIT-UHFFFAOYSA-N 1 2 349.525 3.504 20 0 EHADLO CCCCS[C@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000070750444 1128295164 /nfs/dbraw/zinc/29/51/64/1128295164.db2.gz OKLIWKLJGRTMFD-MRXNPFEDSA-N 1 2 345.512 3.512 20 0 EHADLO CC(C)n1ccc(C[NH2+]Cc2cc(Br)ccc2F)n1 ZINC000084225371 1128343575 /nfs/dbraw/zinc/34/35/75/1128343575.db2.gz GTJOCVXBOWYVNR-UHFFFAOYSA-N 1 2 326.213 3.655 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000089356541 1128415622 /nfs/dbraw/zinc/41/56/22/1128415622.db2.gz ZUCJLZVTUNTSDX-RBUKOAKNSA-N 1 2 337.467 3.933 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000052993919 1128408918 /nfs/dbraw/zinc/40/89/18/1128408918.db2.gz IREWVNITLWTDJJ-UHFFFAOYSA-N 1 2 328.412 3.590 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000052993919 1128408921 /nfs/dbraw/zinc/40/89/21/1128408921.db2.gz IREWVNITLWTDJJ-UHFFFAOYSA-N 1 2 328.412 3.590 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C1CCCC1 ZINC000921651210 1128433205 /nfs/dbraw/zinc/43/32/05/1128433205.db2.gz CBEDLPCSJUAEFL-QGZVFWFLSA-N 1 2 327.428 3.837 20 0 EHADLO COc1ccc2nc(NCc3cccc(-n4cc[nH+]c4)c3)c(C)nc2c1 ZINC000338670440 1128435366 /nfs/dbraw/zinc/43/53/66/1128435366.db2.gz HHGUTEDFHKLHJK-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1nnc2n1CCCCC2 ZINC000921654481 1128436015 /nfs/dbraw/zinc/43/60/15/1128436015.db2.gz FQHDSDGVNTZXNM-QGZVFWFLSA-N 1 2 339.487 3.519 20 0 EHADLO Cc1nc(C[NH2+]Cc2cn(C)nc2C2CCCC2)nc2ccccc12 ZINC000921654431 1128436134 /nfs/dbraw/zinc/43/61/34/1128436134.db2.gz JNMAZFXYFAMTOM-UHFFFAOYSA-N 1 2 335.455 3.619 20 0 EHADLO CCOC1CC(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921660185 1128440038 /nfs/dbraw/zinc/44/00/38/1128440038.db2.gz SCSKOCISXLSQPF-UHFFFAOYSA-N 1 2 327.428 3.837 20 0 EHADLO Brc1cscc1C[NH2+]Cc1cn2ccsc2n1 ZINC000352766792 1128440453 /nfs/dbraw/zinc/44/04/53/1128440453.db2.gz APHIYGZBMKLSJG-UHFFFAOYSA-N 1 2 328.260 3.510 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccc(Br)c1)n1cc[nH+]c1 ZINC000056483923 1128446218 /nfs/dbraw/zinc/44/62/18/1128446218.db2.gz XOADISWJMUTBGX-SWLSCSKDSA-N 1 2 348.244 3.570 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3(OC(C)C)CCC3)cc2)[nH+]c1C ZINC000921671197 1128451286 /nfs/dbraw/zinc/45/12/86/1128451286.db2.gz UFSOQOSJQTUHOD-UHFFFAOYSA-N 1 2 327.428 3.980 20 0 EHADLO CC(C)c1nnc(N(C)CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001691654382 1128463828 /nfs/dbraw/zinc/46/38/28/1128463828.db2.gz SZJCVDBYILUPLO-UHFFFAOYSA-N 1 2 344.507 3.781 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000903319134 1128468203 /nfs/dbraw/zinc/46/82/03/1128468203.db2.gz PESXOPMPVJFLRU-SNVBAGLBSA-N 1 2 338.274 3.812 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168628480 1128484773 /nfs/dbraw/zinc/48/47/73/1128484773.db2.gz FLAXRXADWQFPQT-NEWSRXKRSA-N 1 2 349.471 3.627 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C(F)F)cc1 ZINC000338676878 1128486414 /nfs/dbraw/zinc/48/64/14/1128486414.db2.gz KZCUNZAQXLZJSG-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO c1ccc(COC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)cc1 ZINC000347649140 1128512465 /nfs/dbraw/zinc/51/24/65/1128512465.db2.gz HQOSHRLOLUVBLB-LJQANCHMSA-N 1 2 348.450 3.730 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639546 1128554668 /nfs/dbraw/zinc/55/46/68/1128554668.db2.gz ZXXSCYOAXCMEGC-UXLLHSPISA-N 1 2 343.389 3.842 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639546 1128554671 /nfs/dbraw/zinc/55/46/71/1128554671.db2.gz ZXXSCYOAXCMEGC-UXLLHSPISA-N 1 2 343.389 3.842 20 0 EHADLO CC(F)(F)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000655968459 1128557498 /nfs/dbraw/zinc/55/74/98/1128557498.db2.gz SBVOLQAUFBSRER-INIZCTEOSA-N 1 2 348.397 3.542 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465740467 1128611624 /nfs/dbraw/zinc/61/16/24/1128611624.db2.gz MRPMTAJMTJKDDP-SJLPKXTDSA-N 1 2 340.471 3.983 20 0 EHADLO COc1ccc2nc(NCc3ccccc3-n3cc[nH+]c3)c(C)nc2c1 ZINC000338693646 1128623099 /nfs/dbraw/zinc/62/30/99/1128623099.db2.gz RBAXFYBDUJRFHS-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Cc1noc(C2(C)CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)n1 ZINC000542824527 1128666964 /nfs/dbraw/zinc/66/69/64/1128666964.db2.gz MIBMMQOTJCCAKX-UHFFFAOYSA-N 1 2 344.440 3.648 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000475116096 1128679630 /nfs/dbraw/zinc/67/96/30/1128679630.db2.gz IRLGLNSBBBSCFY-PKOBYXMFSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCC(C)(C)C)cn2c1 ZINC000303835477 1128700811 /nfs/dbraw/zinc/70/08/11/1128700811.db2.gz PHYXWGYYRFDDOG-UHFFFAOYSA-N 1 2 333.501 3.818 20 0 EHADLO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000061800737 1128792072 /nfs/dbraw/zinc/79/20/72/1128792072.db2.gz OZPROZVOAKSVKU-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800737 1128792076 /nfs/dbraw/zinc/79/20/76/1128792076.db2.gz OZPROZVOAKSVKU-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@H]3CCc4c[nH+]cn4C3)CCCCC2)c1 ZINC000672148870 1128800250 /nfs/dbraw/zinc/80/02/50/1128800250.db2.gz ZOJJVZJKWBWWCQ-SFHVURJKSA-N 1 2 337.467 3.525 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@H]3CCc4c[nH+]cn4C3)sc2c1 ZINC000672147535 1128800808 /nfs/dbraw/zinc/80/08/08/1128800808.db2.gz PMWJUJGDXWZLGL-NSHDSACASA-N 1 2 345.855 3.804 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149823 1128802246 /nfs/dbraw/zinc/80/22/46/1128802246.db2.gz YKPYBKAZGKVLCA-LJQANCHMSA-N 1 2 345.446 3.536 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1NC1CCC(OC(F)F)CC1 ZINC000656198221 1128808776 /nfs/dbraw/zinc/80/87/76/1128808776.db2.gz YIRJRESEALAYSE-UHFFFAOYSA-N 1 2 327.375 3.633 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000542912512 1128833381 /nfs/dbraw/zinc/83/33/81/1128833381.db2.gz ZOIRAXOYXRKEQA-IBGZPJMESA-N 1 2 340.398 3.866 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC000672190223 1128839187 /nfs/dbraw/zinc/83/91/87/1128839187.db2.gz LLVKDGVYIAATCE-QGZVFWFLSA-N 1 2 331.504 3.893 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338749517 1128842202 /nfs/dbraw/zinc/84/22/02/1128842202.db2.gz KMOABIRQHOQHDE-LBPRGKRZSA-N 1 2 349.887 3.950 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000111311179 1128859426 /nfs/dbraw/zinc/85/94/26/1128859426.db2.gz HXWUUONMGLTGBH-ZDUSSCGKSA-N 1 2 330.413 3.604 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000111311179 1128859431 /nfs/dbraw/zinc/85/94/31/1128859431.db2.gz HXWUUONMGLTGBH-ZDUSSCGKSA-N 1 2 330.413 3.604 20 0 EHADLO Cc1cc(NCc2csc(-c3ccn(C)n3)n2)ccc1[NH+](C)C ZINC000921875926 1128867678 /nfs/dbraw/zinc/86/76/78/1128867678.db2.gz OLBJZTFPSWPHKK-UHFFFAOYSA-N 1 2 327.457 3.530 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000672252073 1128881707 /nfs/dbraw/zinc/88/17/07/1128881707.db2.gz BWTOXIHFDVEZDB-CYBMUJFWSA-N 1 2 328.464 3.510 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000672252073 1128881713 /nfs/dbraw/zinc/88/17/13/1128881713.db2.gz BWTOXIHFDVEZDB-CYBMUJFWSA-N 1 2 328.464 3.510 20 0 EHADLO COc1cc(Br)ccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672253981 1128884734 /nfs/dbraw/zinc/88/47/34/1128884734.db2.gz OWOCGZMBGZIRHR-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO Cc1sc(NC(=O)[C@@H](C)n2cc[nH+]c2)nc1-c1ccc(C)cc1 ZINC000078894160 1120031775 /nfs/dbraw/zinc/03/17/75/1120031775.db2.gz FXJHLVYHACTIIZ-GFCCVEGCSA-N 1 2 326.425 3.823 20 0 EHADLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000007788148 1128886189 /nfs/dbraw/zinc/88/61/89/1128886189.db2.gz BPSRKOYLNYKKEE-UHFFFAOYSA-N 1 2 344.405 3.858 20 0 EHADLO CCOc1ccc2c(c1)CN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC001670642450 1120094936 /nfs/dbraw/zinc/09/49/36/1120094936.db2.gz BQIYHQBBCXBVEV-UHFFFAOYSA-N 1 2 339.439 3.996 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+](C)[C@H](CCO)c3ccccc3)n2)cc1 ZINC000075898437 1128890501 /nfs/dbraw/zinc/89/05/01/1128890501.db2.gz UGNDVUAODORGPB-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+](C)[C@H](CCO)c3ccccc3)n2)cc1 ZINC000075898437 1128890503 /nfs/dbraw/zinc/89/05/03/1128890503.db2.gz UGNDVUAODORGPB-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)c1c[nH]c3ccccc13)CC2 ZINC000109425526 1120111097 /nfs/dbraw/zinc/11/10/97/1120111097.db2.gz VQFRZQKGGMYQIC-UHFFFAOYSA-N 1 2 334.419 3.808 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](CC(=O)c1c[nH]c3ccccc13)CC2 ZINC000109425526 1120111100 /nfs/dbraw/zinc/11/11/00/1120111100.db2.gz VQFRZQKGGMYQIC-UHFFFAOYSA-N 1 2 334.419 3.808 20 0 EHADLO COC(=O)N(C)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001648924894 1120204533 /nfs/dbraw/zinc/20/45/33/1120204533.db2.gz YIVWOVOZZCUGSY-UHFFFAOYSA-N 1 2 342.424 3.749 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338761183 1128898906 /nfs/dbraw/zinc/89/89/06/1128898906.db2.gz RABMUDWNTHSUGL-UHFFFAOYSA-N 1 2 325.456 3.701 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC001648933430 1120238389 /nfs/dbraw/zinc/23/83/89/1120238389.db2.gz VBINOLPKKIPSSL-UHFFFAOYSA-N 1 2 344.436 3.718 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2nc(C(F)F)sc2c1 ZINC000672299554 1128911971 /nfs/dbraw/zinc/91/19/71/1128911971.db2.gz BNAOHUVIYKKHDW-UHFFFAOYSA-N 1 2 336.367 3.849 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)CC(C)C)CC2)c1 ZINC000184526834 1120378791 /nfs/dbraw/zinc/37/87/91/1120378791.db2.gz CYXRXWORETXJTK-IRXDYDNUSA-N 1 2 332.488 3.583 20 0 EHADLO Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CO2 ZINC000185242971 1120405537 /nfs/dbraw/zinc/40/55/37/1120405537.db2.gz HSJIEYCYGPWKIY-GOSISDBHSA-N 1 2 333.391 3.604 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccccc1C)c1ccccc1 ZINC000741150509 1120457164 /nfs/dbraw/zinc/45/71/64/1120457164.db2.gz HPUNNBVBRKONEV-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccccc1C)c1ccccc1 ZINC000741150509 1120457167 /nfs/dbraw/zinc/45/71/67/1120457167.db2.gz HPUNNBVBRKONEV-LJQANCHMSA-N 1 2 327.424 3.610 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168464456 1120493585 /nfs/dbraw/zinc/49/35/85/1120493585.db2.gz GQDDESSXSKECCL-MGPUTAFESA-N 1 2 329.415 3.521 20 0 EHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2nc(CCC)cs2)c1 ZINC000494295491 1120529265 /nfs/dbraw/zinc/52/92/65/1120529265.db2.gz KVAKFJAVHRFFRH-UHFFFAOYSA-N 1 2 331.485 3.525 20 0 EHADLO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ncc(C)s2)o1 ZINC000152575801 1120547932 /nfs/dbraw/zinc/54/79/32/1120547932.db2.gz LKHXXOKZQRAZSY-UHFFFAOYSA-N 1 2 342.420 3.788 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1nccn1C ZINC000494440445 1120566463 /nfs/dbraw/zinc/56/64/63/1120566463.db2.gz XQFQWQDUKHTROW-BXKDBHETSA-N 1 2 338.274 3.680 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000494500549 1120573441 /nfs/dbraw/zinc/57/34/41/1120573441.db2.gz FABKETVEWBHEMP-FGEZKYSXSA-N 1 2 339.798 3.605 20 0 EHADLO Cn1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1C(F)(F)F ZINC000190159507 1120628085 /nfs/dbraw/zinc/62/80/85/1120628085.db2.gz JNOUOVGQAGIWOR-SNVBAGLBSA-N 1 2 343.315 3.849 20 0 EHADLO Cn1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1C(F)(F)F ZINC000190159507 1120628087 /nfs/dbraw/zinc/62/80/87/1120628087.db2.gz JNOUOVGQAGIWOR-SNVBAGLBSA-N 1 2 343.315 3.849 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3CCOC4(CCCC4)C3)c12 ZINC000301680407 1128930008 /nfs/dbraw/zinc/93/00/08/1128930008.db2.gz FLMXWBQBARSVRN-OAHLLOKOSA-N 1 2 349.438 3.719 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)CCS1 ZINC000192188680 1120723520 /nfs/dbraw/zinc/72/35/20/1120723520.db2.gz AAKWRMVOCQUSAR-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)CCS1 ZINC000192188680 1120723525 /nfs/dbraw/zinc/72/35/25/1120723525.db2.gz AAKWRMVOCQUSAR-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO Cc1cc(OCC(=O)NCc2ccc(Cl)s2)c2ccccc2[nH+]1 ZINC000192191839 1120723562 /nfs/dbraw/zinc/72/35/62/1120723562.db2.gz CLCSMHDXKJXBPO-UHFFFAOYSA-N 1 2 346.839 3.953 20 0 EHADLO ClC1(Cl)C[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761654245 1120735832 /nfs/dbraw/zinc/73/58/32/1120735832.db2.gz UOKJLOGTJUPHJA-GFCCVEGCSA-N 1 2 335.194 3.643 20 0 EHADLO O=C1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc2N1 ZINC000542495087 1120748425 /nfs/dbraw/zinc/74/84/25/1120748425.db2.gz QMELQBGZQHHGRM-SFHVURJKSA-N 1 2 336.439 3.957 20 0 EHADLO Cc1cc(C)c(NC(=O)CCCOCCc2ccccc2)c(C)[nH+]1 ZINC000193785137 1120799018 /nfs/dbraw/zinc/79/90/18/1120799018.db2.gz MMGHAGNQWFQQQS-UHFFFAOYSA-N 1 2 326.440 3.985 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCCC[C@@H]3C)cn2c1 ZINC000195668932 1120805864 /nfs/dbraw/zinc/80/58/64/1120805864.db2.gz CIYSVUASTJKYFM-JKSUJKDBSA-N 1 2 345.512 3.818 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000393355359 1120853525 /nfs/dbraw/zinc/85/35/25/1120853525.db2.gz OSGOHEXZQAHTKE-CYBMUJFWSA-N 1 2 340.652 3.613 20 0 EHADLO CC[NH+](CC)[C@@H](CN[C@H](c1nc[nH]n1)C1CCCCC1)c1ccco1 ZINC000494875757 1120890393 /nfs/dbraw/zinc/89/03/93/1120890393.db2.gz CIUMFMIZHXDLGZ-WMZOPIPTSA-N 1 2 345.491 3.692 20 0 EHADLO CCN(CC)[C@@H](C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1ccco1 ZINC000494875757 1120890396 /nfs/dbraw/zinc/89/03/96/1120890396.db2.gz CIUMFMIZHXDLGZ-WMZOPIPTSA-N 1 2 345.491 3.692 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000494938182 1120911100 /nfs/dbraw/zinc/91/11/00/1120911100.db2.gz NTMHMOLCRKOCOF-CYBMUJFWSA-N 1 2 336.277 3.983 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1c(Br)cnn1C)Cc1ccccc1 ZINC000494938182 1120911104 /nfs/dbraw/zinc/91/11/04/1120911104.db2.gz NTMHMOLCRKOCOF-CYBMUJFWSA-N 1 2 336.277 3.983 20 0 EHADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1cnc(-c2ccco2)s1 ZINC000494950798 1120916213 /nfs/dbraw/zinc/91/62/13/1120916213.db2.gz OBLLTXXJPIVLPP-UHFFFAOYSA-N 1 2 347.484 3.661 20 0 EHADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cnc(-c2ccco2)s1 ZINC000494950798 1120916216 /nfs/dbraw/zinc/91/62/16/1120916216.db2.gz OBLLTXXJPIVLPP-UHFFFAOYSA-N 1 2 347.484 3.661 20 0 EHADLO CCCC[N@H+](Cn1nc(Cc2csc(C)n2)oc1=S)C1CC1 ZINC000914783963 1120985243 /nfs/dbraw/zinc/98/52/43/1120985243.db2.gz MKJFCXLUTLNROI-UHFFFAOYSA-N 1 2 338.502 3.783 20 0 EHADLO CCCC[N@@H+](Cn1nc(Cc2csc(C)n2)oc1=S)C1CC1 ZINC000914783963 1120985245 /nfs/dbraw/zinc/98/52/45/1120985245.db2.gz MKJFCXLUTLNROI-UHFFFAOYSA-N 1 2 338.502 3.783 20 0 EHADLO CC[N@H+](CC(=O)NCCCC(F)(F)F)Cc1ccccc1Cl ZINC000499529941 1128955540 /nfs/dbraw/zinc/95/55/40/1128955540.db2.gz AJIABBQEBWEZFW-UHFFFAOYSA-N 1 2 336.785 3.621 20 0 EHADLO CC[N@@H+](CC(=O)NCCCC(F)(F)F)Cc1ccccc1Cl ZINC000499529941 1128955544 /nfs/dbraw/zinc/95/55/44/1128955544.db2.gz AJIABBQEBWEZFW-UHFFFAOYSA-N 1 2 336.785 3.621 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)CCCn3cc[nH+]c3)nc21 ZINC000672365871 1128955612 /nfs/dbraw/zinc/95/56/12/1128955612.db2.gz QSWAHUCEMRXKKN-UHFFFAOYSA-N 1 2 334.832 3.874 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)nc21 ZINC000672365954 1128955899 /nfs/dbraw/zinc/95/58/99/1128955899.db2.gz DPFNAGXOYLDTQM-SNVBAGLBSA-N 1 2 346.843 3.656 20 0 EHADLO COc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1C ZINC000761931527 1121010895 /nfs/dbraw/zinc/01/08/95/1121010895.db2.gz LEVHMSFBMJFBQB-UHFFFAOYSA-N 1 2 332.363 3.906 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@H]2C)nc1-c1cccnc1 ZINC000762145693 1121124929 /nfs/dbraw/zinc/12/49/29/1121124929.db2.gz XRHSMDAVRBNPIW-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@H]2C)nc1-c1cccnc1 ZINC000762145693 1121124931 /nfs/dbraw/zinc/12/49/31/1121124931.db2.gz XRHSMDAVRBNPIW-CQSZACIVSA-N 1 2 343.500 3.718 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000303640987 1121168915 /nfs/dbraw/zinc/16/89/15/1121168915.db2.gz QYIBVXBOGDGWOD-JZXOWHBKSA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000303640987 1121168917 /nfs/dbraw/zinc/16/89/17/1121168917.db2.gz QYIBVXBOGDGWOD-JZXOWHBKSA-N 1 2 332.488 3.601 20 0 EHADLO Clc1ccc([C@@H]2CCC[N@@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762485004 1121322951 /nfs/dbraw/zinc/32/29/51/1121322951.db2.gz ZGNAYAAWUXQJOO-KRWDZBQOSA-N 1 2 339.830 3.788 20 0 EHADLO Clc1ccc([C@@H]2CCC[N@H+]2Cn2cnc(-c3ccccn3)n2)cc1 ZINC000762485004 1121322960 /nfs/dbraw/zinc/32/29/60/1121322960.db2.gz ZGNAYAAWUXQJOO-KRWDZBQOSA-N 1 2 339.830 3.788 20 0 EHADLO FC(F)(F)Cn1cnn(C[NH+]2CCC3(CCCC3)CC2)c1=S ZINC000153578026 1121356369 /nfs/dbraw/zinc/35/63/69/1121356369.db2.gz NZXLNALDTAFDGO-UHFFFAOYSA-N 1 2 334.411 3.590 20 0 EHADLO CC(=O)CCCCOC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000762887072 1121503207 /nfs/dbraw/zinc/50/32/07/1121503207.db2.gz YTQSAIGVRJBDDN-GOSISDBHSA-N 1 2 345.483 3.632 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)Cc1cccc(F)c1 ZINC001168496457 1121525777 /nfs/dbraw/zinc/52/57/77/1121525777.db2.gz JEWJIIUISUAXKE-CQSZACIVSA-N 1 2 335.444 3.884 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)Cc1cccc(F)c1 ZINC001168496457 1121525785 /nfs/dbraw/zinc/52/57/85/1121525785.db2.gz JEWJIIUISUAXKE-CQSZACIVSA-N 1 2 335.444 3.884 20 0 EHADLO CC1=CC[N@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000495921942 1121569078 /nfs/dbraw/zinc/56/90/78/1121569078.db2.gz NIAOYIUSIIEWMC-UHFFFAOYSA-N 1 2 349.500 3.588 20 0 EHADLO CC1=CC[N@@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000495921942 1121569080 /nfs/dbraw/zinc/56/90/80/1121569080.db2.gz NIAOYIUSIIEWMC-UHFFFAOYSA-N 1 2 349.500 3.588 20 0 EHADLO Nc1ccc(CSc2ncnc3sc4c(c32)CCCC4)c[nH+]1 ZINC000915773115 1121622343 /nfs/dbraw/zinc/62/23/43/1121622343.db2.gz YBTYVIPNVPUWCU-UHFFFAOYSA-N 1 2 328.466 3.840 20 0 EHADLO CCSc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000054114694 1121736856 /nfs/dbraw/zinc/73/68/56/1121736856.db2.gz YDCQZUPLCRBXDO-UHFFFAOYSA-N 1 2 342.399 3.771 20 0 EHADLO Cc1ccccc1SCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695938 1121857380 /nfs/dbraw/zinc/85/73/80/1121857380.db2.gz SJIJFFSFMNBIOV-UHFFFAOYSA-N 1 2 337.448 3.589 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)c1 ZINC000055697046 1121858354 /nfs/dbraw/zinc/85/83/54/1121858354.db2.gz MLLGRQFXYOLRDY-UHFFFAOYSA-N 1 2 345.446 3.837 20 0 EHADLO Fc1cccc(COc2ccc(C[N@@H+]3CCOCC34CC4)cc2)c1 ZINC000670273180 1121912191 /nfs/dbraw/zinc/91/21/91/1121912191.db2.gz POWXKLMOPWKTPS-UHFFFAOYSA-N 1 2 327.399 3.770 20 0 EHADLO Fc1cccc(COc2ccc(C[N@H+]3CCOCC34CC4)cc2)c1 ZINC000670273180 1121912195 /nfs/dbraw/zinc/91/21/95/1121912195.db2.gz POWXKLMOPWKTPS-UHFFFAOYSA-N 1 2 327.399 3.770 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@@H]3CCCCC[C@H]31)CCC2 ZINC000763222201 1121913270 /nfs/dbraw/zinc/91/32/70/1121913270.db2.gz VTESZFBGPGUANC-FVQBIDKESA-N 1 2 347.528 3.763 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@@H]3CCCCC[C@H]31)CCC2 ZINC000763222201 1121913275 /nfs/dbraw/zinc/91/32/75/1121913275.db2.gz VTESZFBGPGUANC-FVQBIDKESA-N 1 2 347.528 3.763 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333486 1121965462 /nfs/dbraw/zinc/96/54/62/1121965462.db2.gz UDEAYBFJXDZCKQ-RHSMWYFYSA-N 1 2 328.485 3.713 20 0 EHADLO C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333486 1121965467 /nfs/dbraw/zinc/96/54/67/1121965467.db2.gz UDEAYBFJXDZCKQ-RHSMWYFYSA-N 1 2 328.485 3.713 20 0 EHADLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000496199234 1122010834 /nfs/dbraw/zinc/01/08/34/1122010834.db2.gz IYJKVHMXCYICKI-UHFFFAOYSA-N 1 2 345.418 3.867 20 0 EHADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2cocn2)CC1 ZINC000496481701 1122096287 /nfs/dbraw/zinc/09/62/87/1122096287.db2.gz QUSSPTZVSXERAT-MRXNPFEDSA-N 1 2 349.475 3.532 20 0 EHADLO CN(C(=O)CCc1c[nH]c[nH+]1)c1ccc(OCc2ccccc2)cc1 ZINC000356940212 1129032368 /nfs/dbraw/zinc/03/23/68/1129032368.db2.gz MFGUOARFUWDCEN-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO CN(C(=O)CCc1c[nH+]c[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000356940212 1129032372 /nfs/dbraw/zinc/03/23/72/1129032372.db2.gz MFGUOARFUWDCEN-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(Br)c1 ZINC000123394711 1122142370 /nfs/dbraw/zinc/14/23/70/1122142370.db2.gz NJOMPBLBLJNHPX-VXGBXAGGSA-N 1 2 325.250 3.569 20 0 EHADLO Brc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000037203710 1122174297 /nfs/dbraw/zinc/17/42/97/1122174297.db2.gz DCXQCTFNQNUMNG-UHFFFAOYSA-N 1 2 332.245 3.925 20 0 EHADLO Cc1ccc2c(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc(=O)oc2c1 ZINC000154037719 1122186495 /nfs/dbraw/zinc/18/64/95/1122186495.db2.gz KROBFPZSJISGHK-UHFFFAOYSA-N 1 2 345.439 3.654 20 0 EHADLO Cc1ccc2c(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc(=O)oc2c1 ZINC000154037719 1122186497 /nfs/dbraw/zinc/18/64/97/1122186497.db2.gz KROBFPZSJISGHK-UHFFFAOYSA-N 1 2 345.439 3.654 20 0 EHADLO Oc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1Cl ZINC000328333208 1122206116 /nfs/dbraw/zinc/20/61/16/1122206116.db2.gz JRFUDQDSMCYKRO-KRWDZBQOSA-N 1 2 330.859 3.972 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cn(-c2ccccc2)nn1 ZINC000154074518 1122210399 /nfs/dbraw/zinc/21/03/99/1122210399.db2.gz RUROPIRFBDGHIW-CYBMUJFWSA-N 1 2 339.468 3.842 20 0 EHADLO CN(C)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000125490031 1122318430 /nfs/dbraw/zinc/31/84/30/1122318430.db2.gz KEPUJCQVHXKUBW-RTBURBONSA-N 1 2 338.430 3.531 20 0 EHADLO c1cnn(Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125633082 1122322808 /nfs/dbraw/zinc/32/28/08/1122322808.db2.gz PECKZGFWPMQHGQ-HXUWFJFHSA-N 1 2 343.434 3.534 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125641465 1122322987 /nfs/dbraw/zinc/32/29/87/1122322987.db2.gz BXJROEKHJROCBM-IBGZPJMESA-N 1 2 348.450 3.883 20 0 EHADLO CCCCc1ccc2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2c1 ZINC000672703217 1129050320 /nfs/dbraw/zinc/05/03/20/1129050320.db2.gz HWMBNRNRADWPBE-UHFFFAOYSA-N 1 2 328.441 3.933 20 0 EHADLO CCCCn1c(SCc2cnoc2C)nnc1[C@@H](CC)[NH+](C)C ZINC000126088416 1122385824 /nfs/dbraw/zinc/38/58/24/1122385824.db2.gz UJXKDCRXJGFQRI-CQSZACIVSA-N 1 2 337.493 3.680 20 0 EHADLO CC(C)C[C@H](C)OC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000497284895 1122435499 /nfs/dbraw/zinc/43/54/99/1122435499.db2.gz JEOWWTMPCWTACT-INIZCTEOSA-N 1 2 329.444 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c(C)[nH]1 ZINC000127195132 1122468482 /nfs/dbraw/zinc/46/84/82/1122468482.db2.gz GNYMIBQPMQTOQV-UHFFFAOYSA-N 1 2 325.456 3.546 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c(C)[nH]1 ZINC000127195132 1122468485 /nfs/dbraw/zinc/46/84/85/1122468485.db2.gz GNYMIBQPMQTOQV-UHFFFAOYSA-N 1 2 325.456 3.546 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127386362 1122480793 /nfs/dbraw/zinc/48/07/93/1122480793.db2.gz XHXCSTWCINEMIW-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127386362 1122480795 /nfs/dbraw/zinc/48/07/95/1122480795.db2.gz XHXCSTWCINEMIW-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000128287239 1122551055 /nfs/dbraw/zinc/55/10/55/1122551055.db2.gz KUMQGZGLASAEBX-MSOLQXFVSA-N 1 2 326.444 3.601 20 0 EHADLO CCNc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000128385138 1122582090 /nfs/dbraw/zinc/58/20/90/1122582090.db2.gz UMKKAJOTXRKHDF-UHFFFAOYSA-N 1 2 347.831 3.666 20 0 EHADLO C/C(=C\C(=O)OCCOCCCc1cccc(C)[nH+]1)c1ccccc1 ZINC000917538927 1122625970 /nfs/dbraw/zinc/62/59/70/1122625970.db2.gz ZIVIKFGBEKTYKB-WUKNDPDISA-N 1 2 339.435 3.986 20 0 EHADLO CCC1CCC(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000068880723 1122717819 /nfs/dbraw/zinc/71/78/19/1122717819.db2.gz JKJJYYZGFMPEHK-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000918184025 1122773069 /nfs/dbraw/zinc/77/30/69/1122773069.db2.gz SKYQZQVKKXAXDP-OAHLLOKOSA-N 1 2 339.439 3.880 20 0 EHADLO Cc1csc([C@@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000069576923 1122795634 /nfs/dbraw/zinc/79/56/34/1122795634.db2.gz NLSISKXVFZABDI-LHRNQBEKSA-N 1 2 338.436 3.528 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000498211312 1122798707 /nfs/dbraw/zinc/79/87/07/1122798707.db2.gz SVPUXURUCBEASF-GOSISDBHSA-N 1 2 339.483 3.971 20 0 EHADLO CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000498272928 1122831006 /nfs/dbraw/zinc/83/10/06/1122831006.db2.gz WCLXJGCOPBUDEM-UHFFFAOYSA-N 1 2 347.462 3.930 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000444879404 1122853689 /nfs/dbraw/zinc/85/36/89/1122853689.db2.gz QBXLNZVYBHQWPG-BSDSXHPESA-N 1 2 344.503 3.668 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1cccc(F)c1F ZINC000347475910 1122859637 /nfs/dbraw/zinc/85/96/37/1122859637.db2.gz MHQDIZBQXLDWHA-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1cccc(F)c1F ZINC000347475910 1122859642 /nfs/dbraw/zinc/85/96/42/1122859642.db2.gz MHQDIZBQXLDWHA-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO Fc1ccc(C2(c3noc(CCn4cc[nH+]c4)n3)CCCCC2)cc1 ZINC000556325434 1122930083 /nfs/dbraw/zinc/93/00/83/1122930083.db2.gz WOUKZDSJZAJFGF-UHFFFAOYSA-N 1 2 340.402 3.898 20 0 EHADLO CCCCn1c(S[C@@H]2CCO[C@@H](C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000421821173 1122947394 /nfs/dbraw/zinc/94/73/94/1122947394.db2.gz PVQPZSVQATVUFD-ZNMIVQPWSA-N 1 2 340.537 3.751 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127455726 1122952491 /nfs/dbraw/zinc/95/24/91/1122952491.db2.gz ZAUSYOZWWXELNY-AWEZNQCLSA-N 1 2 341.455 3.987 20 0 EHADLO CC(C)(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000498536550 1122963755 /nfs/dbraw/zinc/96/37/55/1122963755.db2.gz XESSBCDZKKUJHK-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO O=C(Cn1c[nH+]c(Cc2ccccc2)c1)N(Cc1ccccc1)C1CC1 ZINC000919143249 1122985333 /nfs/dbraw/zinc/98/53/33/1122985333.db2.gz FDSOWWKCYCUPMF-UHFFFAOYSA-N 1 2 345.446 3.665 20 0 EHADLO Cc1cc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc[nH+]1 ZINC000131736128 1123173906 /nfs/dbraw/zinc/17/39/06/1123173906.db2.gz RGTWWODLHZPZSU-UHFFFAOYSA-N 1 2 333.391 3.545 20 0 EHADLO CCc1ncsc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000132175465 1123206381 /nfs/dbraw/zinc/20/63/81/1123206381.db2.gz HTBLBHNSVRGNHM-MRXNPFEDSA-N 1 2 329.469 3.699 20 0 EHADLO CCc1ncsc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000132175465 1123206384 /nfs/dbraw/zinc/20/63/84/1123206384.db2.gz HTBLBHNSVRGNHM-MRXNPFEDSA-N 1 2 329.469 3.699 20 0 EHADLO CC(C)C1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000073590180 1123211093 /nfs/dbraw/zinc/21/10/93/1123211093.db2.gz MMSDTNQWQRSWLZ-UHFFFAOYSA-N 1 2 344.503 3.650 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000556967025 1123244100 /nfs/dbraw/zinc/24/41/00/1123244100.db2.gz CJAOBJAFAUCGPF-LJQANCHMSA-N 1 2 326.440 3.656 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000556967025 1123244104 /nfs/dbraw/zinc/24/41/04/1123244104.db2.gz CJAOBJAFAUCGPF-LJQANCHMSA-N 1 2 326.440 3.656 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543026943 1129122907 /nfs/dbraw/zinc/12/29/07/1129122907.db2.gz PSQULHZXRYROMO-GOEBONIOSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543026943 1129122909 /nfs/dbraw/zinc/12/29/09/1129122909.db2.gz PSQULHZXRYROMO-GOEBONIOSA-N 1 2 342.405 3.792 20 0 EHADLO C[C@@H]1CCC[C@H](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000134156524 1123496676 /nfs/dbraw/zinc/49/66/76/1123496676.db2.gz IFFDIXWUFGOBRW-MJGOQNOKSA-N 1 2 339.483 3.807 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000921303695 1123512229 /nfs/dbraw/zinc/51/22/29/1123512229.db2.gz RAJYCQBWQVGEEF-NTCAYCPXSA-N 1 2 344.455 3.635 20 0 EHADLO CCC[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000134312343 1123515765 /nfs/dbraw/zinc/51/57/65/1123515765.db2.gz BINUGEPCPWZBBH-SFHVURJKSA-N 1 2 327.472 3.662 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000152645506 1123555129 /nfs/dbraw/zinc/55/51/29/1123555129.db2.gz YFEYMNVAJHLDBV-UHFFFAOYSA-N 1 2 345.251 3.745 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1coc(-c2ccccc2)n1 ZINC000078081766 1123598047 /nfs/dbraw/zinc/59/80/47/1123598047.db2.gz YMAFNBKGZHVBEL-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)COc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000064440844 1123618080 /nfs/dbraw/zinc/61/80/80/1123618080.db2.gz QAEGKNGPJAOXSB-GOSISDBHSA-N 1 2 343.471 3.763 20 0 EHADLO CC[N@H+](CC(=O)N1CC(CC(F)(F)F)C1)Cc1ccccc1Cl ZINC000672998937 1129134877 /nfs/dbraw/zinc/13/48/77/1129134877.db2.gz QBYAICHDQJJLDL-UHFFFAOYSA-N 1 2 348.796 3.573 20 0 EHADLO CC[N@@H+](CC(=O)N1CC(CC(F)(F)F)C1)Cc1ccccc1Cl ZINC000672998937 1129134880 /nfs/dbraw/zinc/13/48/80/1129134880.db2.gz QBYAICHDQJJLDL-UHFFFAOYSA-N 1 2 348.796 3.573 20 0 EHADLO C/C(=C\C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)c1 ZINC000171834061 1123641535 /nfs/dbraw/zinc/64/15/35/1123641535.db2.gz YZWIOSBMBYRUFD-RVDMUPIBSA-N 1 2 339.414 3.541 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)NCCCNc1cccc[nH+]1 ZINC000136192389 1123675625 /nfs/dbraw/zinc/67/56/25/1123675625.db2.gz HYIMXCWWQRHZRG-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000079391095 1123691295 /nfs/dbraw/zinc/69/12/95/1123691295.db2.gz FLHJWRNFOQRNFS-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000079391095 1123691298 /nfs/dbraw/zinc/69/12/98/1123691298.db2.gz FLHJWRNFOQRNFS-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO O=C([C@@H]1CCCc2sccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000136838469 1123731675 /nfs/dbraw/zinc/73/16/75/1123731675.db2.gz RASQYQOOHDIRLV-MRXNPFEDSA-N 1 2 346.521 3.574 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000615308778 1123777740 /nfs/dbraw/zinc/77/77/40/1123777740.db2.gz UJCQIADWHUUDJI-KBPBESRZSA-N 1 2 338.411 3.764 20 0 EHADLO Cc1cccc(C[NH2+]Cc2ncccc2N(C)C)c1Br ZINC000922142249 1129149546 /nfs/dbraw/zinc/14/95/46/1129149546.db2.gz YONXKDKTIXEFJN-UHFFFAOYSA-N 1 2 334.261 3.508 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245528533 1123865354 /nfs/dbraw/zinc/86/53/54/1123865354.db2.gz FBAGLLPJRYHIQF-XLIONFOSSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245528533 1123865357 /nfs/dbraw/zinc/86/53/57/1123865357.db2.gz FBAGLLPJRYHIQF-XLIONFOSSA-N 1 2 339.483 3.630 20 0 EHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830470 1123869007 /nfs/dbraw/zinc/86/90/07/1123869007.db2.gz IIOKQTOPMMXWNB-HIFRSBDPSA-N 1 2 338.879 3.562 20 0 EHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830470 1123869013 /nfs/dbraw/zinc/86/90/13/1123869013.db2.gz IIOKQTOPMMXWNB-HIFRSBDPSA-N 1 2 338.879 3.562 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000081799963 1123904131 /nfs/dbraw/zinc/90/41/31/1123904131.db2.gz OYXJPAGLMNMQKH-SJORKVTESA-N 1 2 327.472 3.953 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000245649116 1123910071 /nfs/dbraw/zinc/91/00/71/1123910071.db2.gz CZIAWYIQRJVCOQ-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000245649116 1123910078 /nfs/dbraw/zinc/91/00/78/1123910078.db2.gz CZIAWYIQRJVCOQ-OALUTQOASA-N 1 2 344.405 3.757 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000245649080 1123910269 /nfs/dbraw/zinc/91/02/69/1123910269.db2.gz JKBAJYMFUQPEOF-TZMCWYRMSA-N 1 2 325.522 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000245649080 1123910272 /nfs/dbraw/zinc/91/02/72/1123910272.db2.gz JKBAJYMFUQPEOF-TZMCWYRMSA-N 1 2 325.522 3.728 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000180035860 1123929630 /nfs/dbraw/zinc/92/96/30/1123929630.db2.gz HFGGQZZTDNFYDG-UHFFFAOYSA-N 1 2 344.418 3.603 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCOc2ccc(Cl)c(F)c2)c[nH+]1 ZINC000616116163 1123947298 /nfs/dbraw/zinc/94/72/98/1123947298.db2.gz PGWRFGAMVZBSKR-UHFFFAOYSA-N 1 2 336.794 3.576 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245784747 1123951489 /nfs/dbraw/zinc/95/14/89/1123951489.db2.gz VUOKUKCNLJBLSC-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245784747 1123951491 /nfs/dbraw/zinc/95/14/91/1123951491.db2.gz VUOKUKCNLJBLSC-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO CCC1(CC)CN(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)C(=O)O1 ZINC000180244395 1123969758 /nfs/dbraw/zinc/96/97/58/1123969758.db2.gz VBTMSNPMUQDKEV-CQSZACIVSA-N 1 2 337.489 3.729 20 0 EHADLO CCC1(CC)CN(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)C(=O)O1 ZINC000180244395 1123969763 /nfs/dbraw/zinc/96/97/63/1123969763.db2.gz VBTMSNPMUQDKEV-CQSZACIVSA-N 1 2 337.489 3.729 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616270286 1123977303 /nfs/dbraw/zinc/97/73/03/1123977303.db2.gz CLEPCRYLBHJLGH-MWQQHZPXSA-N 1 2 343.858 3.630 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000246090912 1124018311 /nfs/dbraw/zinc/01/83/11/1124018311.db2.gz MZNVMQGVFQTTCR-CHWSQXEVSA-N 1 2 344.377 3.606 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000246090912 1124018315 /nfs/dbraw/zinc/01/83/15/1124018315.db2.gz MZNVMQGVFQTTCR-CHWSQXEVSA-N 1 2 344.377 3.606 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000246183858 1124041652 /nfs/dbraw/zinc/04/16/52/1124041652.db2.gz HKIKHDPZGMMWGY-ZBFHGGJFSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000246183858 1124041656 /nfs/dbraw/zinc/04/16/56/1124041656.db2.gz HKIKHDPZGMMWGY-ZBFHGGJFSA-N 1 2 342.439 3.872 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000246252758 1124062351 /nfs/dbraw/zinc/06/23/51/1124062351.db2.gz LUZIQYXFDHLDBJ-HIFRSBDPSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000246252758 1124062352 /nfs/dbraw/zinc/06/23/52/1124062352.db2.gz LUZIQYXFDHLDBJ-HIFRSBDPSA-N 1 2 343.496 3.640 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2sccc2s1 ZINC000616988805 1124063143 /nfs/dbraw/zinc/06/31/43/1124063143.db2.gz MWNPPYOCIKXXAY-UHFFFAOYSA-N 1 2 343.477 3.888 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)c2ccccc21 ZINC000673077208 1129172757 /nfs/dbraw/zinc/17/27/57/1129172757.db2.gz AZTJLSZMVDOZGN-LBPRGKRZSA-N 1 2 327.815 3.647 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(OCc2ccccc2)c1 ZINC000357139299 1129175309 /nfs/dbraw/zinc/17/53/09/1129175309.db2.gz IZMTXBIJWFKXMK-INIZCTEOSA-N 1 2 349.434 3.799 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(OCc2ccccc2)c1 ZINC000357139299 1129175312 /nfs/dbraw/zinc/17/53/12/1129175312.db2.gz IZMTXBIJWFKXMK-INIZCTEOSA-N 1 2 349.434 3.799 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000617349029 1124492911 /nfs/dbraw/zinc/49/29/11/1124492911.db2.gz PAVWRAWVSLVEGC-UHFFFAOYSA-N 1 2 349.434 3.672 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C(C)(C)c2ccccc2)[nH+]1 ZINC000069188937 1124513279 /nfs/dbraw/zinc/51/32/79/1124513279.db2.gz IIEXDBOUJLBRBM-UHFFFAOYSA-N 1 2 341.451 3.860 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000248380684 1124653717 /nfs/dbraw/zinc/65/37/17/1124653717.db2.gz QWUXFJNNZFTDPE-OCCSQVGLSA-N 1 2 334.510 3.996 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000248380684 1124653721 /nfs/dbraw/zinc/65/37/21/1124653721.db2.gz QWUXFJNNZFTDPE-OCCSQVGLSA-N 1 2 334.510 3.996 20 0 EHADLO Cc1ccc(/C=C\S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000734976033 1131301422 /nfs/dbraw/zinc/30/14/22/1131301422.db2.gz CVOBXIODRFKAHJ-XFXZXTDPSA-N 1 2 339.420 3.593 20 0 EHADLO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2noc(C(C)(C)C)n2)cc1 ZINC000090619562 1124928583 /nfs/dbraw/zinc/92/85/83/1124928583.db2.gz KWHNHMKMAFMNLY-CQSZACIVSA-N 1 2 331.460 3.686 20 0 EHADLO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2noc(C(C)(C)C)n2)cc1 ZINC000090619562 1124928589 /nfs/dbraw/zinc/92/85/89/1124928589.db2.gz KWHNHMKMAFMNLY-CQSZACIVSA-N 1 2 331.460 3.686 20 0 EHADLO CCO[C@H](C)c1noc(COc2cc(CC)[nH+]c3ccccc32)n1 ZINC000092333963 1125084647 /nfs/dbraw/zinc/08/46/47/1125084647.db2.gz BLQOXCQQRCBECV-GFCCVEGCSA-N 1 2 327.384 3.857 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000093457964 1125254626 /nfs/dbraw/zinc/25/46/26/1125254626.db2.gz OVPJWZJHBFZGFM-OAQYLSRUSA-N 1 2 339.435 3.755 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000093457964 1125254630 /nfs/dbraw/zinc/25/46/30/1125254630.db2.gz OVPJWZJHBFZGFM-OAQYLSRUSA-N 1 2 339.435 3.755 20 0 EHADLO CC[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254964130 1125356115 /nfs/dbraw/zinc/35/61/15/1125356115.db2.gz PWXCOZJGPNXRED-QKWWCAPFSA-N 1 2 346.434 3.890 20 0 EHADLO C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000619705547 1125385065 /nfs/dbraw/zinc/38/50/65/1125385065.db2.gz BIUGZARBGTXSAZ-STQMWFEESA-N 1 2 336.505 3.543 20 0 EHADLO C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000619705547 1125385066 /nfs/dbraw/zinc/38/50/66/1125385066.db2.gz BIUGZARBGTXSAZ-STQMWFEESA-N 1 2 336.505 3.543 20 0 EHADLO Cc1cc(Br)c(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1O ZINC001237308480 1125424521 /nfs/dbraw/zinc/42/45/21/1125424521.db2.gz ZBFRUPVIPZOPFR-UHFFFAOYSA-N 1 2 342.277 3.853 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077133 1129206463 /nfs/dbraw/zinc/20/64/63/1129206463.db2.gz WXCWVXKTWSYWDO-GJZGRUSLSA-N 1 2 347.459 3.986 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077133 1129206468 /nfs/dbraw/zinc/20/64/68/1129206468.db2.gz WXCWVXKTWSYWDO-GJZGRUSLSA-N 1 2 347.459 3.986 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000673145020 1129212495 /nfs/dbraw/zinc/21/24/95/1129212495.db2.gz XJDYZESCQHMSJW-UHFFFAOYSA-N 1 2 349.438 3.520 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000682806682 1129241375 /nfs/dbraw/zinc/24/13/75/1129241375.db2.gz VKOZEGPUNHFWOW-AWEZNQCLSA-N 1 2 349.837 3.817 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000067972583 1129327430 /nfs/dbraw/zinc/32/74/30/1129327430.db2.gz ADKZSNQGRWBDOE-MRXNPFEDSA-N 1 2 337.467 3.533 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]c2cc(Cl)ccc12 ZINC000068421040 1129369235 /nfs/dbraw/zinc/36/92/35/1129369235.db2.gz FZDIEFWYAXKVCX-UHFFFAOYSA-N 1 2 342.830 3.838 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316997 1129412977 /nfs/dbraw/zinc/41/29/77/1129412977.db2.gz NCDHTBGGGFROOE-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO OCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)o1 ZINC000543413872 1129474196 /nfs/dbraw/zinc/47/41/96/1129474196.db2.gz CBDWUUMPPHNQBS-GFCCVEGCSA-N 1 2 342.258 3.933 20 0 EHADLO OCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)o1 ZINC000543413872 1129474198 /nfs/dbraw/zinc/47/41/98/1129474198.db2.gz CBDWUUMPPHNQBS-GFCCVEGCSA-N 1 2 342.258 3.933 20 0 EHADLO c1ccc(Oc2cccc(C[NH2+]C3(c4ncccn4)CCC3)c2)nc1 ZINC000922335610 1129474577 /nfs/dbraw/zinc/47/45/77/1129474577.db2.gz SOJBCJXQBQNXCN-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2scnc2Cl)CC1 ZINC001137826028 1129504377 /nfs/dbraw/zinc/50/43/77/1129504377.db2.gz NQDWUENRQFDQJJ-LBPRGKRZSA-N 1 2 339.867 3.814 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265867339 1129547666 /nfs/dbraw/zinc/54/76/66/1129547666.db2.gz ISCIZWXFJWFPTG-JHJVBQTASA-N 1 2 347.821 3.712 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428867675 1129551877 /nfs/dbraw/zinc/55/18/77/1129551877.db2.gz PGPHZORSQJCUFQ-UHFFFAOYSA-N 1 2 341.411 3.696 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922526798 1129562365 /nfs/dbraw/zinc/56/23/65/1129562365.db2.gz UVWAYGHROKKRCL-XLIONFOSSA-N 1 2 337.398 3.947 20 0 EHADLO Cc1nc(C[NH2+][C@@H](c2ccccn2)C2CC2)sc1Br ZINC000922580254 1129580525 /nfs/dbraw/zinc/58/05/25/1129580525.db2.gz BCKPNHMPHBLACC-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)nn1 ZINC000673601091 1129606987 /nfs/dbraw/zinc/60/69/87/1129606987.db2.gz ZTKFUFWYCJTANN-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO Clc1cccc2c1C[C@@H]([NH+]1CC3(CCN3Cc3ccccc3)C1)C2 ZINC001168733502 1129642421 /nfs/dbraw/zinc/64/24/21/1129642421.db2.gz AZIBUGMPNOPDOU-SFHVURJKSA-N 1 2 338.882 3.768 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000428994689 1129680541 /nfs/dbraw/zinc/68/05/41/1129680541.db2.gz PMBNSLWBKCCXOH-DLBZAZTESA-N 1 2 334.508 3.836 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429014048 1129697071 /nfs/dbraw/zinc/69/70/71/1129697071.db2.gz XUEIWGZWSYKXFT-AWEZNQCLSA-N 1 2 342.252 3.837 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429014048 1129697073 /nfs/dbraw/zinc/69/70/73/1129697073.db2.gz XUEIWGZWSYKXFT-AWEZNQCLSA-N 1 2 342.252 3.837 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H]1C ZINC000347763613 1129702503 /nfs/dbraw/zinc/70/25/03/1129702503.db2.gz OZQCVJZOVRVSJE-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO C[N@H+](Cc1ccccc1OC(F)(F)F)Cc1cc(CO)ccc1F ZINC000625052978 1129716509 /nfs/dbraw/zinc/71/65/09/1129716509.db2.gz GRKCDAJMQNABOT-UHFFFAOYSA-N 1 2 343.320 3.849 20 0 EHADLO C[N@@H+](Cc1ccccc1OC(F)(F)F)Cc1cc(CO)ccc1F ZINC000625052978 1129716512 /nfs/dbraw/zinc/71/65/12/1129716512.db2.gz GRKCDAJMQNABOT-UHFFFAOYSA-N 1 2 343.320 3.849 20 0 EHADLO CC[N@H+](Cc1noc(C2CCC2)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000625156457 1129746005 /nfs/dbraw/zinc/74/60/05/1129746005.db2.gz YNMIJQRLOLFTKE-CQSZACIVSA-N 1 2 329.444 3.799 20 0 EHADLO CC[N@@H+](Cc1noc(C2CCC2)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000625156457 1129746007 /nfs/dbraw/zinc/74/60/07/1129746007.db2.gz YNMIJQRLOLFTKE-CQSZACIVSA-N 1 2 329.444 3.799 20 0 EHADLO c1ccc(C[N@@H+](Cc2noc(C3CCC3)n2)CC2CCOCC2)cc1 ZINC000625161322 1129748244 /nfs/dbraw/zinc/74/82/44/1129748244.db2.gz RODGMXOSUGYFLJ-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO c1ccc(C[N@H+](Cc2noc(C3CCC3)n2)CC2CCOCC2)cc1 ZINC000625161322 1129748246 /nfs/dbraw/zinc/74/82/46/1129748246.db2.gz RODGMXOSUGYFLJ-UHFFFAOYSA-N 1 2 341.455 3.766 20 0 EHADLO O=C(CCc1ccc(Cl)c(F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625190436 1129757677 /nfs/dbraw/zinc/75/76/77/1129757677.db2.gz BUKYZTSQIJXIDB-ZDUSSCGKSA-N 1 2 335.810 3.541 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)CC12CCC2 ZINC000282426806 1129783690 /nfs/dbraw/zinc/78/36/90/1129783690.db2.gz JVHGNMPUCQTEAC-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)CC12CCC2 ZINC000282426806 1129783692 /nfs/dbraw/zinc/78/36/92/1129783692.db2.gz JVHGNMPUCQTEAC-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccncc1Br ZINC000625276669 1129799284 /nfs/dbraw/zinc/79/92/84/1129799284.db2.gz VPAZVYWCFBXPMJ-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccncc1Br ZINC000625276669 1129799286 /nfs/dbraw/zinc/79/92/86/1129799286.db2.gz VPAZVYWCFBXPMJ-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)cc3Cl)[nH+]c12 ZINC000673724336 1129811347 /nfs/dbraw/zinc/81/13/47/1129811347.db2.gz MAYWBXGOQRJGKK-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO Cc1cccc(C2(C(=O)NCCc3cn4cccc(C)c4[nH+]3)CCC2)c1 ZINC000673724794 1129812118 /nfs/dbraw/zinc/81/21/18/1129812118.db2.gz PBNJUNGMFRUYMF-UHFFFAOYSA-N 1 2 347.462 3.732 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726400 1129812321 /nfs/dbraw/zinc/81/23/21/1129812321.db2.gz WAPIGDXRUPEQQP-KRWDZBQOSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H](C)C3CCCCC3)[nH+]c12 ZINC000673727342 1129812924 /nfs/dbraw/zinc/81/29/24/1129812924.db2.gz ZOHKMDAAYVNTTL-INIZCTEOSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1cc(NNC(=S)Nc2cc(Cl)cc(Cl)c2)nc(C)[nH+]1 ZINC000735990504 1131399253 /nfs/dbraw/zinc/39/92/53/1131399253.db2.gz ZQDRFCDUVCEEMD-UHFFFAOYSA-N 1 2 342.255 3.714 20 0 EHADLO CCO[C@@H](C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316808 1129823566 /nfs/dbraw/zinc/82/35/66/1129823566.db2.gz OGKXEAQLSYUFOV-DLBZAZTESA-N 1 2 343.389 3.894 20 0 EHADLO CCO[C@@H](C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000625316808 1129823570 /nfs/dbraw/zinc/82/35/70/1129823570.db2.gz OGKXEAQLSYUFOV-DLBZAZTESA-N 1 2 343.389 3.894 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429120774 1129829330 /nfs/dbraw/zinc/82/93/30/1129829330.db2.gz CCJOQTXMLAVQJO-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429120774 1129829332 /nfs/dbraw/zinc/82/93/32/1129829332.db2.gz CCJOQTXMLAVQJO-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 ZINC000673756912 1129831380 /nfs/dbraw/zinc/83/13/80/1129831380.db2.gz KNUDLKKDTISJOS-NSHDSACASA-N 1 2 348.447 3.550 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 ZINC000673756912 1129831382 /nfs/dbraw/zinc/83/13/82/1129831382.db2.gz KNUDLKKDTISJOS-NSHDSACASA-N 1 2 348.447 3.550 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(Cl)c(F)c3)[nH+]c12 ZINC000673760032 1129835534 /nfs/dbraw/zinc/83/55/34/1129835534.db2.gz VBBDJLTULOQPSU-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)CCC(C)(C)C)[nH+]c12 ZINC000673779156 1129845792 /nfs/dbraw/zinc/84/57/92/1129845792.db2.gz XUWXAPIWRPSCSQ-OAHLLOKOSA-N 1 2 330.476 3.699 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000429136743 1129854951 /nfs/dbraw/zinc/85/49/51/1129854951.db2.gz AIPAOYUEAGYQLE-SFHVURJKSA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000282452731 1129877809 /nfs/dbraw/zinc/87/78/09/1129877809.db2.gz FMHCLFBVCBMUET-KRWDZBQOSA-N 1 2 340.471 3.525 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000543504437 1129904838 /nfs/dbraw/zinc/90/48/38/1129904838.db2.gz NDBCWACJTNSHCT-QFBILLFUSA-N 1 2 342.487 3.724 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cs1 ZINC000282467655 1129909518 /nfs/dbraw/zinc/90/95/18/1129909518.db2.gz LLQNSEQXVQQFEQ-WMLDXEAASA-N 1 2 339.464 3.705 20 0 EHADLO CCc1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)cn1 ZINC000347848873 1129921026 /nfs/dbraw/zinc/92/10/26/1129921026.db2.gz BSZDOJIRFUQUDP-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO CCc1ccc(C[N@H+]2CCc3cccc(Br)c3C2)cn1 ZINC000347848873 1129921027 /nfs/dbraw/zinc/92/10/27/1129921027.db2.gz BSZDOJIRFUQUDP-UHFFFAOYSA-N 1 2 331.257 3.965 20 0 EHADLO c1cn(CCOc2ccccc2N[C@@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282489264 1129939006 /nfs/dbraw/zinc/93/90/06/1129939006.db2.gz MXBJZCFSRGXPPH-LJQANCHMSA-N 1 2 341.455 3.723 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008716 1129955421 /nfs/dbraw/zinc/95/54/21/1129955421.db2.gz BITKBLPSTMLXTQ-VCBZYWHSSA-N 1 2 338.426 3.939 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008716 1129955422 /nfs/dbraw/zinc/95/54/22/1129955422.db2.gz BITKBLPSTMLXTQ-VCBZYWHSSA-N 1 2 338.426 3.939 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1Br ZINC000058830300 1129961153 /nfs/dbraw/zinc/96/11/53/1129961153.db2.gz DLZBCJVVUFPTSD-UHFFFAOYSA-N 1 2 348.240 3.852 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1Br ZINC000058830300 1129961155 /nfs/dbraw/zinc/96/11/55/1129961155.db2.gz DLZBCJVVUFPTSD-UHFFFAOYSA-N 1 2 348.240 3.852 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644631 1129966962 /nfs/dbraw/zinc/96/69/62/1129966962.db2.gz CFSIAUAQVVHJOU-PHIMTYICSA-N 1 2 346.805 3.510 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644631 1129966964 /nfs/dbraw/zinc/96/69/64/1129966964.db2.gz CFSIAUAQVVHJOU-PHIMTYICSA-N 1 2 346.805 3.510 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)c(Cl)c1)c1ncnn1C ZINC000657989589 1129979472 /nfs/dbraw/zinc/97/94/72/1129979472.db2.gz OCNDEHDICZSHFT-RKDXNWHRSA-N 1 2 343.656 3.643 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCC1 ZINC000674084137 1129999664 /nfs/dbraw/zinc/99/96/64/1129999664.db2.gz AKTOTAAIKHEHOQ-OAHLLOKOSA-N 1 2 327.428 3.727 20 0 EHADLO FC(F)C1([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCC1 ZINC000674144317 1130012272 /nfs/dbraw/zinc/01/22/72/1130012272.db2.gz TXVAPFYMLXJOEL-UHFFFAOYSA-N 1 2 348.187 3.845 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674239825 1130035382 /nfs/dbraw/zinc/03/53/82/1130035382.db2.gz BTQZBDQLBHTJEO-RDJZCZTQSA-N 1 2 327.428 3.538 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc2ccccc2[nH]1 ZINC000674505570 1130111908 /nfs/dbraw/zinc/11/19/08/1130111908.db2.gz NPHFMISDPUPZOK-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc2ccccc2[nH]1 ZINC000674505570 1130111911 /nfs/dbraw/zinc/11/19/11/1130111911.db2.gz NPHFMISDPUPZOK-UHFFFAOYSA-N 1 2 327.815 3.892 20 0 EHADLO CC(C)([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)Nc1ccccc1 ZINC000674716961 1130179588 /nfs/dbraw/zinc/17/95/88/1130179588.db2.gz CYFYGSRWGDMERW-UHFFFAOYSA-N 1 2 334.423 3.584 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H](CC(C)C)C3)[nH+]c12 ZINC000675245166 1130293760 /nfs/dbraw/zinc/29/37/60/1130293760.db2.gz BDFFAYCULRTJBW-QGZVFWFLSA-N 1 2 342.487 3.653 20 0 EHADLO CS(=O)(=O)CCCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000675289064 1130301064 /nfs/dbraw/zinc/30/10/64/1130301064.db2.gz ZERBFTWIFAYOKK-UHFFFAOYSA-N 1 2 349.471 3.653 20 0 EHADLO CS(=O)(=O)CCCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000675289064 1130301071 /nfs/dbraw/zinc/30/10/71/1130301071.db2.gz ZERBFTWIFAYOKK-UHFFFAOYSA-N 1 2 349.471 3.653 20 0 EHADLO FC(F)(F)Oc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1Cl ZINC001212536616 1130323224 /nfs/dbraw/zinc/32/32/24/1130323224.db2.gz QYEAJTCZSMSMBD-UHFFFAOYSA-N 1 2 344.680 3.533 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000675730019 1130464189 /nfs/dbraw/zinc/46/41/89/1130464189.db2.gz POQSDFCRWOACMK-HNNXBMFYSA-N 1 2 346.862 3.661 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000675894317 1130497220 /nfs/dbraw/zinc/49/72/20/1130497220.db2.gz FFRKLVLYEVIQSP-YPMHNXCESA-N 1 2 325.416 3.592 20 0 EHADLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1sccc1Br ZINC000675926467 1130504912 /nfs/dbraw/zinc/50/49/12/1130504912.db2.gz QTGLEEQCGAWFRX-QMMMGPOBSA-N 1 2 346.319 3.884 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000675930269 1130508577 /nfs/dbraw/zinc/50/85/77/1130508577.db2.gz QNKRHXCKJLNBDX-FUHWJXTLSA-N 1 2 348.450 3.590 20 0 EHADLO c1nnn(-c2ccccc2)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000676165812 1130541462 /nfs/dbraw/zinc/54/14/62/1130541462.db2.gz AVXYCHKQULXJTH-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO c1nnn(-c2ccccc2)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000676165812 1130541466 /nfs/dbraw/zinc/54/14/66/1130541466.db2.gz AVXYCHKQULXJTH-LJQANCHMSA-N 1 2 336.464 3.557 20 0 EHADLO CCC[N@H+](CC)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727820827 1130600812 /nfs/dbraw/zinc/60/08/12/1130600812.db2.gz OYUJSDXCVWPOBO-UHFFFAOYSA-N 1 2 337.445 3.579 20 0 EHADLO CCC[N@@H+](CC)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000727820827 1130600816 /nfs/dbraw/zinc/60/08/16/1130600816.db2.gz OYUJSDXCVWPOBO-UHFFFAOYSA-N 1 2 337.445 3.579 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727844301 1130601432 /nfs/dbraw/zinc/60/14/32/1130601432.db2.gz ZJHYGKBOTLRJDH-KRWDZBQOSA-N 1 2 341.455 3.528 20 0 EHADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056146 1130621707 /nfs/dbraw/zinc/62/17/07/1130621707.db2.gz FYEDPVWOSBGCDH-HNNXBMFYSA-N 1 2 328.378 3.615 20 0 EHADLO CC(C)CNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056146 1130621710 /nfs/dbraw/zinc/62/17/10/1130621710.db2.gz FYEDPVWOSBGCDH-HNNXBMFYSA-N 1 2 328.378 3.615 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000730122967 1130677497 /nfs/dbraw/zinc/67/74/97/1130677497.db2.gz DFVLUBWUHSDSDU-HXUWFJFHSA-N 1 2 346.434 3.667 20 0 EHADLO CCc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000732166048 1130888996 /nfs/dbraw/zinc/88/89/96/1130888996.db2.gz SMTRUBXFJGYZCT-OAHLLOKOSA-N 1 2 328.481 3.657 20 0 EHADLO CCc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000732166048 1130888997 /nfs/dbraw/zinc/88/89/97/1130888997.db2.gz SMTRUBXFJGYZCT-OAHLLOKOSA-N 1 2 328.481 3.657 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000732201147 1130899396 /nfs/dbraw/zinc/89/93/96/1130899396.db2.gz LNZFDJACOWRPIZ-LJQANCHMSA-N 1 2 340.854 3.812 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000732201147 1130899400 /nfs/dbraw/zinc/89/94/00/1130899400.db2.gz LNZFDJACOWRPIZ-LJQANCHMSA-N 1 2 340.854 3.812 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732227910 1130902231 /nfs/dbraw/zinc/90/22/31/1130902231.db2.gz HNODWYZFOWUANM-KRWDZBQOSA-N 1 2 343.858 3.932 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000732755744 1130953662 /nfs/dbraw/zinc/95/36/62/1130953662.db2.gz VZNVWDUWTHMSFI-ROUUACIJSA-N 1 2 327.472 3.683 20 0 EHADLO COc1ccccc1C=C(C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000732766843 1130955457 /nfs/dbraw/zinc/95/54/57/1130955457.db2.gz YOXFWMYLQQDEKZ-HMMYKYKNSA-N 1 2 344.414 4.000 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282570950 1131100823 /nfs/dbraw/zinc/10/08/23/1131100823.db2.gz YVKABHLTIMHHPB-QMMMGPOBSA-N 1 2 344.230 3.741 20 0 EHADLO Cc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)o1 ZINC000282670275 1131144031 /nfs/dbraw/zinc/14/40/31/1131144031.db2.gz MRSNITDBXXQZSN-ZDUSSCGKSA-N 1 2 326.165 3.713 20 0 EHADLO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)on2)ccc1OC(F)F ZINC000282697569 1131150839 /nfs/dbraw/zinc/15/08/39/1131150839.db2.gz OMRKHYYLZPRAEL-NSHDSACASA-N 1 2 326.343 3.834 20 0 EHADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000733983769 1131179077 /nfs/dbraw/zinc/17/90/77/1131179077.db2.gz QNSYEGGQLZULMC-INIZCTEOSA-N 1 2 348.450 3.608 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000738242736 1131466324 /nfs/dbraw/zinc/46/63/24/1131466324.db2.gz YKHFHOVFYISHMM-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000738242736 1131466326 /nfs/dbraw/zinc/46/63/26/1131466326.db2.gz YKHFHOVFYISHMM-CQSZACIVSA-N 1 2 331.489 3.718 20 0 EHADLO Cc1ccc(/C=C\S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738392073 1131469418 /nfs/dbraw/zinc/46/94/18/1131469418.db2.gz WXZMNJBQLOASBJ-XFXZXTDPSA-N 1 2 340.404 3.560 20 0 EHADLO C[C@@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000740727367 1131538270 /nfs/dbraw/zinc/53/82/70/1131538270.db2.gz NDQMAWDVRSOURE-JCVNQNCUSA-N 1 2 325.456 3.646 20 0 EHADLO O[C@H](C[NH2+]Cc1n[nH]c2ccccc21)c1c(Cl)cccc1Cl ZINC000740900610 1131555685 /nfs/dbraw/zinc/55/56/85/1131555685.db2.gz WEYLOKVHWVMEDQ-OAHLLOKOSA-N 1 2 336.222 3.693 20 0 EHADLO CC(C)[C@@H](C(=O)OCC(=O)c1cc2ccccc2o1)[NH+]1CCCCC1 ZINC000741011072 1131566008 /nfs/dbraw/zinc/56/60/08/1131566008.db2.gz PPZKUHZKJFKJQX-IBGZPJMESA-N 1 2 343.423 3.669 20 0 EHADLO CCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741029541 1131571756 /nfs/dbraw/zinc/57/17/56/1131571756.db2.gz PNUSRIDLWTXYOP-HNNXBMFYSA-N 1 2 347.455 3.596 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741144943 1131578952 /nfs/dbraw/zinc/57/89/52/1131578952.db2.gz HGRFCBKUMGJQRD-RLFYNMQTSA-N 1 2 346.471 3.555 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741144943 1131578957 /nfs/dbraw/zinc/57/89/57/1131578957.db2.gz HGRFCBKUMGJQRD-RLFYNMQTSA-N 1 2 346.471 3.555 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741146213 1131583207 /nfs/dbraw/zinc/58/32/07/1131583207.db2.gz DOWOVYJYNWUKAJ-CQSZACIVSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000741146213 1131583209 /nfs/dbraw/zinc/58/32/09/1131583209.db2.gz DOWOVYJYNWUKAJ-CQSZACIVSA-N 1 2 334.803 3.523 20 0 EHADLO CCc1ccc(CC(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1 ZINC000741677431 1131633957 /nfs/dbraw/zinc/63/39/57/1131633957.db2.gz UZLCKNVEVDVXSI-UHFFFAOYSA-N 1 2 331.485 3.729 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777925 1131646225 /nfs/dbraw/zinc/64/62/25/1131646225.db2.gz FSDNVSIWETWOIB-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777925 1131646226 /nfs/dbraw/zinc/64/62/26/1131646226.db2.gz FSDNVSIWETWOIB-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cccc(C2(O)CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)c1C ZINC000741808470 1131650250 /nfs/dbraw/zinc/65/02/50/1131650250.db2.gz KBDUJNQDMJQCKW-OAHLLOKOSA-N 1 2 341.455 3.608 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(Oc2nccs2)c1 ZINC000741969577 1131677132 /nfs/dbraw/zinc/67/71/32/1131677132.db2.gz DHKBDPXDBAXAMU-UHFFFAOYSA-N 1 2 336.376 3.835 20 0 EHADLO C[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)(C)C ZINC000741983634 1131678348 /nfs/dbraw/zinc/67/83/48/1131678348.db2.gz NCLCGYDMMGSOMR-OAHLLOKOSA-N 1 2 331.504 3.520 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742144227 1131690595 /nfs/dbraw/zinc/69/05/95/1131690595.db2.gz AIUREIXQBDOIPR-CYBMUJFWSA-N 1 2 328.485 3.786 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742144227 1131690597 /nfs/dbraw/zinc/69/05/97/1131690597.db2.gz AIUREIXQBDOIPR-CYBMUJFWSA-N 1 2 328.485 3.786 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144872 1131690675 /nfs/dbraw/zinc/69/06/75/1131690675.db2.gz IPJOJEXHBQFLFE-JTQLQIEISA-N 1 2 326.416 3.820 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144872 1131690677 /nfs/dbraw/zinc/69/06/77/1131690677.db2.gz IPJOJEXHBQFLFE-JTQLQIEISA-N 1 2 326.416 3.820 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)[nH]2)o1 ZINC000742164678 1131691821 /nfs/dbraw/zinc/69/18/21/1131691821.db2.gz BEPIKSOPHBLYKR-RNBGUABESA-N 1 2 330.457 3.558 20 0 EHADLO Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)[nH]2)o1 ZINC000742164678 1131691825 /nfs/dbraw/zinc/69/18/25/1131691825.db2.gz BEPIKSOPHBLYKR-RNBGUABESA-N 1 2 330.457 3.558 20 0 EHADLO O=C(/C=C\c1ccccc1OC(F)(F)F)Nc1cccc2[nH+]ccn21 ZINC000742189948 1131695798 /nfs/dbraw/zinc/69/57/98/1131695798.db2.gz NANUQAIFKJYQBD-HJWRWDBZSA-N 1 2 347.296 3.885 20 0 EHADLO C/C(=C\C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)(C)C ZINC000742708390 1131771390 /nfs/dbraw/zinc/77/13/90/1131771390.db2.gz IZBSSXRMWZDFRF-FOCLMDBBSA-N 1 2 343.515 3.830 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(C(F)(F)F)cc3F)cc2)C1 ZINC001212669277 1131771789 /nfs/dbraw/zinc/77/17/89/1131771789.db2.gz PBACEKZJNLRMBP-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567137 1131775759 /nfs/dbraw/zinc/77/57/59/1131775759.db2.gz ICRCLUGICILIIF-BMIGLBTASA-N 1 2 331.790 3.577 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567137 1131775765 /nfs/dbraw/zinc/77/57/65/1131775765.db2.gz ICRCLUGICILIIF-BMIGLBTASA-N 1 2 331.790 3.577 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C\C(C)(C)C ZINC000742943152 1131816711 /nfs/dbraw/zinc/81/67/11/1131816711.db2.gz XJKGAEPFHSCKMH-XFXZXTDPSA-N 1 2 329.488 3.749 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725708 1131825315 /nfs/dbraw/zinc/82/53/15/1131825315.db2.gz IJGFJKXQPGJMBI-UHFFFAOYSA-N 1 2 332.492 3.522 20 0 EHADLO CC(C)OCc1nnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172725708 1131825318 /nfs/dbraw/zinc/82/53/18/1131825318.db2.gz IJGFJKXQPGJMBI-UHFFFAOYSA-N 1 2 332.492 3.522 20 0 EHADLO Brc1cnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172730176 1131827165 /nfs/dbraw/zinc/82/71/65/1131827165.db2.gz YIGNNWBUSSECKG-UHFFFAOYSA-N 1 2 338.293 3.964 20 0 EHADLO Brc1cnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172730176 1131827172 /nfs/dbraw/zinc/82/71/72/1131827172.db2.gz YIGNNWBUSSECKG-UHFFFAOYSA-N 1 2 338.293 3.964 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000743021931 1131838094 /nfs/dbraw/zinc/83/80/94/1131838094.db2.gz OQLZVADPADZPJK-QGZVFWFLSA-N 1 2 336.464 3.691 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000743356550 1131899090 /nfs/dbraw/zinc/89/90/90/1131899090.db2.gz SEADRWZLILHNQH-ROUUACIJSA-N 1 2 341.842 3.803 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000743356550 1131899098 /nfs/dbraw/zinc/89/90/98/1131899098.db2.gz SEADRWZLILHNQH-ROUUACIJSA-N 1 2 341.842 3.803 20 0 EHADLO CCc1c(C)sc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C(N)=O ZINC001212693485 1131906670 /nfs/dbraw/zinc/90/66/70/1131906670.db2.gz ZNWHHYPGDBQLLW-UHFFFAOYSA-N 1 2 340.452 3.706 20 0 EHADLO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379295 1131914409 /nfs/dbraw/zinc/91/44/09/1131914409.db2.gz MQFRJGUWDHEZRQ-CZUORRHYSA-N 1 2 333.407 3.501 20 0 EHADLO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379295 1131914413 /nfs/dbraw/zinc/91/44/13/1131914413.db2.gz MQFRJGUWDHEZRQ-CZUORRHYSA-N 1 2 333.407 3.501 20 0 EHADLO FC(F)(F)Oc1ncccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695028 1131924638 /nfs/dbraw/zinc/92/46/38/1131924638.db2.gz JWISHUJQDBGRAU-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO COc1ccccc1-n1nccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695323 1131925411 /nfs/dbraw/zinc/92/54/11/1131925411.db2.gz ZFANURVENHBPIC-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO COc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1F ZINC001212699096 1131933648 /nfs/dbraw/zinc/93/36/48/1131933648.db2.gz MYTUQIMKAWRHMJ-UHFFFAOYSA-N 1 2 327.359 3.831 20 0 EHADLO O=C1CCCc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2N1 ZINC001212697679 1131936427 /nfs/dbraw/zinc/93/64/27/1131936427.db2.gz NFCSJLMDZIVOAQ-UHFFFAOYSA-N 1 2 332.407 3.950 20 0 EHADLO CCCOC1CCC([N@@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173103186 1131967212 /nfs/dbraw/zinc/96/72/12/1131967212.db2.gz YALQXSPNDZSBLK-OFLPRAFFSA-N 1 2 330.463 3.530 20 0 EHADLO CCCOC1CCC(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173103186 1131967206 /nfs/dbraw/zinc/96/72/06/1131967206.db2.gz YALQXSPNDZSBLK-OFLPRAFFSA-N 1 2 330.463 3.530 20 0 EHADLO CCCOC1CCC([N@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173103186 1131967217 /nfs/dbraw/zinc/96/72/17/1131967217.db2.gz YALQXSPNDZSBLK-OFLPRAFFSA-N 1 2 330.463 3.530 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC2(CCCCC2)C1)c1ccccc1C(F)(F)F ZINC000743853002 1131986618 /nfs/dbraw/zinc/98/66/18/1131986618.db2.gz YHQYQQNOMKYHDK-INIZCTEOSA-N 1 2 343.389 3.774 20 0 EHADLO O[C@@H](C[N@H+]1CCOC2(CCCCC2)C1)c1ccccc1C(F)(F)F ZINC000743853002 1131986625 /nfs/dbraw/zinc/98/66/25/1131986625.db2.gz YHQYQQNOMKYHDK-INIZCTEOSA-N 1 2 343.389 3.774 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2cc(C)sc2C)cc1OC ZINC000744184743 1132040086 /nfs/dbraw/zinc/04/00/86/1132040086.db2.gz KSGSRYTZHDLZGR-UHFFFAOYSA-N 1 2 334.441 3.623 20 0 EHADLO OCCc1ccc2c(c1)O[C@@H]([NH2+][C@@H]1CCCC3(CCCCC3)C1)O2 ZINC001173346123 1132057713 /nfs/dbraw/zinc/05/77/13/1132057713.db2.gz ZMUICDRNUAVLOP-APWZRJJASA-N 1 2 331.456 3.759 20 0 EHADLO COc1ccc(C(C)C)cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001173918362 1132174927 /nfs/dbraw/zinc/17/49/27/1132174927.db2.gz ZLWCPEXXFIVLJO-INIZCTEOSA-N 1 2 327.428 3.528 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)cc1F ZINC001173925822 1132177321 /nfs/dbraw/zinc/17/73/21/1132177321.db2.gz HBDZHWNVHVKKFX-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1OC ZINC001173886013 1132180495 /nfs/dbraw/zinc/18/04/95/1132180495.db2.gz AANMRPPXKHSPMZ-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100198 1132193837 /nfs/dbraw/zinc/19/38/37/1132193837.db2.gz LLBLWOSSCURRHS-PMACEKPBSA-N 1 2 339.435 3.537 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000745100198 1132193839 /nfs/dbraw/zinc/19/38/39/1132193839.db2.gz LLBLWOSSCURRHS-PMACEKPBSA-N 1 2 339.435 3.537 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3ncncc3N=C3CCCC3)C2)cc1 ZINC001173997309 1132198590 /nfs/dbraw/zinc/19/85/90/1132198590.db2.gz WNXXJYXVVUMDLT-IBGZPJMESA-N 1 2 336.439 3.530 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3ncncc3N=C3CCCC3)C2)cc1 ZINC001173997309 1132198595 /nfs/dbraw/zinc/19/85/95/1132198595.db2.gz WNXXJYXVVUMDLT-IBGZPJMESA-N 1 2 336.439 3.530 20 0 EHADLO Cn1c[nH+]c2cc(Nc3ccc(C(=O)N4CCCCC4)cc3)ccc21 ZINC001174072059 1132233918 /nfs/dbraw/zinc/23/39/18/1132233918.db2.gz FVDWKMKAJMELLZ-UHFFFAOYSA-N 1 2 334.423 3.943 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001174075079 1132236327 /nfs/dbraw/zinc/23/63/27/1132236327.db2.gz CIRQSBPYYFRFNZ-UHFFFAOYSA-N 1 2 333.391 3.764 20 0 EHADLO FC(F)(F)c1nccnc1N=C1CCC[N@H+](Cc2ccccc2)C1 ZINC001174394866 1132329825 /nfs/dbraw/zinc/32/98/25/1132329825.db2.gz OPYRLFXJXSNRDY-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO FC(F)(F)c1nccnc1N=C1CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394866 1132329834 /nfs/dbraw/zinc/32/98/34/1132329834.db2.gz OPYRLFXJXSNRDY-UHFFFAOYSA-N 1 2 334.345 3.697 20 0 EHADLO COc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc(-n2cncn2)c1 ZINC001174383810 1132345504 /nfs/dbraw/zinc/34/55/04/1132345504.db2.gz VEYWRAAUJIXJKH-UHFFFAOYSA-N 1 2 348.410 3.950 20 0 EHADLO CC(C)CCc1noc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000746049892 1132353815 /nfs/dbraw/zinc/35/38/15/1132353815.db2.gz FNZPMDTUOAAVDV-UHFFFAOYSA-N 1 2 336.823 3.553 20 0 EHADLO O=C1OCCN1CCC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000746133463 1132380769 /nfs/dbraw/zinc/38/07/69/1132380769.db2.gz KPLLAYNZAMVKCN-UHFFFAOYSA-N 1 2 343.254 3.800 20 0 EHADLO O=C1OCCN1CCC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000746133463 1132380778 /nfs/dbraw/zinc/38/07/78/1132380778.db2.gz KPLLAYNZAMVKCN-UHFFFAOYSA-N 1 2 343.254 3.800 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001174518732 1132397314 /nfs/dbraw/zinc/39/73/14/1132397314.db2.gz QJNWTUYIMLKQFV-UHFFFAOYSA-N 1 2 325.416 3.567 20 0 EHADLO c1ccc(OC2COC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523870 1132400737 /nfs/dbraw/zinc/40/07/37/1132400737.db2.gz WKGCZUCTTPBSRB-UHFFFAOYSA-N 1 2 325.412 3.593 20 0 EHADLO COc1cc(OC)c(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174524848 1132401005 /nfs/dbraw/zinc/40/10/05/1132401005.db2.gz RPBGADULTIZRDO-UHFFFAOYSA-N 1 2 331.391 3.972 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001174573133 1132402637 /nfs/dbraw/zinc/40/26/37/1132402637.db2.gz DLHXRHZAHNSDEI-HRCADAONSA-N 1 2 325.493 3.680 20 0 EHADLO CC(C)=CNc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001174553601 1132414119 /nfs/dbraw/zinc/41/41/19/1132414119.db2.gz LVBCLFVPWLOBDM-OAHLLOKOSA-N 1 2 332.448 3.521 20 0 EHADLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1C ZINC001174634344 1132420508 /nfs/dbraw/zinc/42/05/08/1132420508.db2.gz VXKGCFWRXLURAE-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000189072640 1132440681 /nfs/dbraw/zinc/44/06/81/1132440681.db2.gz ZEGKSMXPVLTITL-INIZCTEOSA-N 1 2 333.435 3.679 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000189072640 1132440685 /nfs/dbraw/zinc/44/06/85/1132440685.db2.gz ZEGKSMXPVLTITL-INIZCTEOSA-N 1 2 333.435 3.679 20 0 EHADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000189064969 1132442020 /nfs/dbraw/zinc/44/20/20/1132442020.db2.gz HGQGFPJSQVRJAC-UHFFFAOYSA-N 1 2 343.374 3.944 20 0 EHADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000189064969 1132442022 /nfs/dbraw/zinc/44/20/22/1132442022.db2.gz HGQGFPJSQVRJAC-UHFFFAOYSA-N 1 2 343.374 3.944 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000193522889 1132481619 /nfs/dbraw/zinc/48/16/19/1132481619.db2.gz BQFGXOGRQGDPOW-HNNXBMFYSA-N 1 2 326.444 3.668 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000193522889 1132481626 /nfs/dbraw/zinc/48/16/26/1132481626.db2.gz BQFGXOGRQGDPOW-HNNXBMFYSA-N 1 2 326.444 3.668 20 0 EHADLO CNc1[nH+]cnc2c1cnn2CCCc1ccc(C(F)(F)F)cc1 ZINC000194428424 1132488529 /nfs/dbraw/zinc/48/85/29/1132488529.db2.gz OVPVMZWUTNZABH-UHFFFAOYSA-N 1 2 335.333 3.520 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)c(=S)n2C)c1 ZINC000766379250 1132522277 /nfs/dbraw/zinc/52/22/77/1132522277.db2.gz CBAYPKWDRDCXNT-CABCVRRESA-N 1 2 330.501 3.862 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)c(=S)n2C)c1 ZINC000766379250 1132522285 /nfs/dbraw/zinc/52/22/85/1132522285.db2.gz CBAYPKWDRDCXNT-CABCVRRESA-N 1 2 330.501 3.862 20 0 EHADLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(F)cc1 ZINC000766403448 1132529692 /nfs/dbraw/zinc/52/96/92/1132529692.db2.gz KHEVXJLKCKPBTC-GFCCVEGCSA-N 1 2 327.407 3.936 20 0 EHADLO Clc1ccc2cccnc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978707 1132532824 /nfs/dbraw/zinc/53/28/24/1132532824.db2.gz ZXRZJYRKGQLLED-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(C)COc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001174979777 1132533654 /nfs/dbraw/zinc/53/36/54/1132533654.db2.gz HIHAWRNPYUCCBI-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(CCC(F)(F)F)CC1CC1 ZINC000766423786 1132537025 /nfs/dbraw/zinc/53/70/25/1132537025.db2.gz ZJWJVUQGLUTINS-UHFFFAOYSA-N 1 2 341.381 3.750 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CCS2 ZINC000766421191 1132538901 /nfs/dbraw/zinc/53/89/01/1132538901.db2.gz TVUWREASYIMUGC-LBPRGKRZSA-N 1 2 325.231 3.764 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1)C1CC1 ZINC001175104280 1132554303 /nfs/dbraw/zinc/55/43/03/1132554303.db2.gz YEFPEBFBYLNLBH-CYBMUJFWSA-N 1 2 348.437 3.723 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000866981632 1132593175 /nfs/dbraw/zinc/59/31/75/1132593175.db2.gz DQRWCXQZKPAROW-NQIIRXRSSA-N 1 2 339.483 3.641 20 0 EHADLO CCCCOc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC001175241990 1132606314 /nfs/dbraw/zinc/60/63/14/1132606314.db2.gz WMZLHZXVEGBGPX-UHFFFAOYSA-N 1 2 342.443 3.544 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]CCCOc1ccc2ccccc2c1)C(=O)OC ZINC001168983480 1132619755 /nfs/dbraw/zinc/61/97/55/1132619755.db2.gz WQTNINJEPOBIBT-KXBFYZLASA-N 1 2 329.440 3.786 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000766560029 1132622809 /nfs/dbraw/zinc/62/28/09/1132622809.db2.gz QSUNDBOVESQZSI-NWDGAFQWSA-N 1 2 349.356 3.616 20 0 EHADLO Cc1cc2nc(Cl)nc(NCCc3cn4ccccc4[nH+]3)c2s1 ZINC001169000108 1132628410 /nfs/dbraw/zinc/62/84/10/1132628410.db2.gz BRALYPBSCAAILQ-UHFFFAOYSA-N 1 2 343.843 3.955 20 0 EHADLO Clc1nc2ccsc2c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169000487 1132628515 /nfs/dbraw/zinc/62/85/15/1132628515.db2.gz LZEXUGLOJBNIEZ-UHFFFAOYSA-N 1 2 329.816 3.647 20 0 EHADLO COc1cc(C)c(Nc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001175346639 1132629475 /nfs/dbraw/zinc/62/94/75/1132629475.db2.gz VNXBZWDDKUMMLF-UHFFFAOYSA-N 1 2 336.233 3.971 20 0 EHADLO COc1ccc(-n2nccc2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175347117 1132629505 /nfs/dbraw/zinc/62/95/05/1132629505.db2.gz CDJVFTPLFLOORU-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO CN(C)c1ccc(Nc2noc3cc(Br)ccc23)c[nH+]1 ZINC001175338854 1132643147 /nfs/dbraw/zinc/64/31/47/1132643147.db2.gz OFVSYALTEUCSNM-UHFFFAOYSA-N 1 2 333.189 3.795 20 0 EHADLO COC(=O)c1cc(Cl)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1O ZINC001175350491 1132645907 /nfs/dbraw/zinc/64/59/07/1132645907.db2.gz FUXYSWUGDWMKDP-UHFFFAOYSA-N 1 2 347.802 3.571 20 0 EHADLO Oc1cc(Br)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349633 1132646031 /nfs/dbraw/zinc/64/60/31/1132646031.db2.gz BLWFELBTXVUDJX-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001205998798 1132654481 /nfs/dbraw/zinc/65/44/81/1132654481.db2.gz IYGFJZYBLHKBCU-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001205998798 1132654488 /nfs/dbraw/zinc/65/44/88/1132654488.db2.gz IYGFJZYBLHKBCU-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO CC[C@@H](C)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502983 1132691217 /nfs/dbraw/zinc/69/12/17/1132691217.db2.gz GYWMXOCEUQMDHB-BXKDBHETSA-N 1 2 334.279 3.703 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC001175502983 1132691223 /nfs/dbraw/zinc/69/12/23/1132691223.db2.gz GYWMXOCEUQMDHB-BXKDBHETSA-N 1 2 334.279 3.703 20 0 EHADLO Clc1cnnc(Cl)c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175504971 1132693114 /nfs/dbraw/zinc/69/31/14/1132693114.db2.gz KKUZDGSRJOOFFP-UHFFFAOYSA-N 1 2 335.238 3.985 20 0 EHADLO Clc1cnnc(Cl)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504971 1132693117 /nfs/dbraw/zinc/69/31/17/1132693117.db2.gz KKUZDGSRJOOFFP-UHFFFAOYSA-N 1 2 335.238 3.985 20 0 EHADLO CC[C@@H]1CN(Cc2cc[nH+]c(N(C)C)c2)c2cccc(Cl)c2O1 ZINC001169216437 1132697232 /nfs/dbraw/zinc/69/72/32/1132697232.db2.gz IOLUREAAIGRRCD-CQSZACIVSA-N 1 2 331.847 3.979 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@@H+]1CCN(C)c2ncccc2C1 ZINC001175622466 1132715390 /nfs/dbraw/zinc/71/53/90/1132715390.db2.gz RDRZXLUXQOSRTG-ZDUSSCGKSA-N 1 2 346.272 3.857 20 0 EHADLO C[C@@H](c1ccccc1Br)[N@H+]1CCN(C)c2ncccc2C1 ZINC001175622466 1132715395 /nfs/dbraw/zinc/71/53/95/1132715395.db2.gz RDRZXLUXQOSRTG-ZDUSSCGKSA-N 1 2 346.272 3.857 20 0 EHADLO O=C1CCC2(CCC(CNc3[nH+]cccc3-c3ccccc3)CC2)N1 ZINC001169289709 1132718660 /nfs/dbraw/zinc/71/86/60/1132718660.db2.gz MOXZJZARHOGDCG-UHFFFAOYSA-N 1 2 335.451 4.000 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001175643270 1132720773 /nfs/dbraw/zinc/72/07/73/1132720773.db2.gz QWUNQLZSLGRUOS-MRXNPFEDSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001175643270 1132720778 /nfs/dbraw/zinc/72/07/78/1132720778.db2.gz QWUNQLZSLGRUOS-MRXNPFEDSA-N 1 2 340.414 3.844 20 0 EHADLO Cn1cc2ccc(Nc3cc(Br)cn4cc[nH+]c34)cc2n1 ZINC001175610494 1132725925 /nfs/dbraw/zinc/72/59/25/1132725925.db2.gz HRUOWSDIVGOVPN-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000121343031 1132729116 /nfs/dbraw/zinc/72/91/16/1132729116.db2.gz SLRROFXUQDTGHA-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000121343031 1132729122 /nfs/dbraw/zinc/72/91/22/1132729122.db2.gz SLRROFXUQDTGHA-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO COC(=O)c1cc(C)c(C)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713864 1132740077 /nfs/dbraw/zinc/74/00/77/1132740077.db2.gz NPYASVREJKOCHS-UHFFFAOYSA-N 1 2 339.317 3.830 20 0 EHADLO COC(=O)[C@@H](C)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175713868 1132740487 /nfs/dbraw/zinc/74/04/87/1132740487.db2.gz NQZZVJTUBADSEE-VIFPVBQESA-N 1 2 339.317 3.703 20 0 EHADLO COC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1Cl ZINC001175713298 1132740790 /nfs/dbraw/zinc/74/07/90/1132740790.db2.gz BJTNLQUPBPAMEA-UHFFFAOYSA-N 1 2 345.708 3.866 20 0 EHADLO c1cc(Nc2ccc3ccncc3c2)cc(OCC[NH+]2CCOCC2)c1 ZINC001175705376 1132753247 /nfs/dbraw/zinc/75/32/47/1132753247.db2.gz HJQDWRWTBKPFTF-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(Br)n1 ZINC001175709503 1132755494 /nfs/dbraw/zinc/75/54/94/1132755494.db2.gz FXPFLLKQRRQSDS-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO COc1cc(F)c(C(C)C)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001175829728 1132770941 /nfs/dbraw/zinc/77/09/41/1132770941.db2.gz PYZRORRVUBQLEY-UHFFFAOYSA-N 1 2 345.418 3.933 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccnc1OCc1ccccc1 ZINC001175876784 1132778531 /nfs/dbraw/zinc/77/85/31/1132778531.db2.gz MMUIMSVEHGCCNR-UHFFFAOYSA-N 1 2 330.391 3.890 20 0 EHADLO Cc1nc(Nc2ccc(F)c3ccccc23)cc(N2CCOCC2)[nH+]1 ZINC001175954488 1132811488 /nfs/dbraw/zinc/81/14/88/1132811488.db2.gz ONNMZLYAWHMCJD-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO Cc1nc(N2CCOCC2)cc(Nc2ccc(F)c3ccccc23)[nH+]1 ZINC001175954488 1132811494 /nfs/dbraw/zinc/81/14/94/1132811494.db2.gz ONNMZLYAWHMCJD-UHFFFAOYSA-N 1 2 338.386 3.658 20 0 EHADLO Cc1c(NC[C@@H]2COCC[N@H+]2C)ccc(OCc2ccccc2)c1C ZINC001169659728 1132812054 /nfs/dbraw/zinc/81/20/54/1132812054.db2.gz IWCAIZFELWQISJ-LJQANCHMSA-N 1 2 340.467 3.625 20 0 EHADLO Cc1c(NC[C@@H]2COCC[N@@H+]2C)ccc(OCc2ccccc2)c1C ZINC001169659728 1132812059 /nfs/dbraw/zinc/81/20/59/1132812059.db2.gz IWCAIZFELWQISJ-LJQANCHMSA-N 1 2 340.467 3.625 20 0 EHADLO CCOC(=O)C[C@H](Nc1[nH+]ccc2cc(F)ccc21)c1cccnc1 ZINC001169674398 1132824894 /nfs/dbraw/zinc/82/48/94/1132824894.db2.gz STEKYUGNONQOCR-KRWDZBQOSA-N 1 2 339.370 3.875 20 0 EHADLO c1ccc(-c2ccc(Nc3[nH+]cccc3N3CCOCC3)cc2)nc1 ZINC001176039426 1132826285 /nfs/dbraw/zinc/82/62/85/1132826285.db2.gz NYUDJZPDMCKDKN-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(Nc2[nH+]c3ccccc3n2C)c1 ZINC001176071677 1132828957 /nfs/dbraw/zinc/82/89/57/1132828957.db2.gz UASKTPHGUYLFNS-UHFFFAOYSA-N 1 2 340.402 3.938 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2Cc2cccc3c2OC(F)(F)O3)[nH+]c1C ZINC001176076794 1132830402 /nfs/dbraw/zinc/83/04/02/1132830402.db2.gz IAMAHTFUXAWBCH-CYBMUJFWSA-N 1 2 335.354 3.685 20 0 EHADLO OCCC[N@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766797800 1132836293 /nfs/dbraw/zinc/83/62/93/1132836293.db2.gz SOTRQIOJNBXLMM-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766797800 1132836301 /nfs/dbraw/zinc/83/63/01/1132836301.db2.gz SOTRQIOJNBXLMM-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NCc3ccc4c(c3)C(=O)NC4)c2)cc1 ZINC001169764719 1132851305 /nfs/dbraw/zinc/85/13/05/1132851305.db2.gz VVJARHVAJMOFEL-UHFFFAOYSA-N 1 2 329.403 3.913 20 0 EHADLO COc1cc[nH+]cc1Nc1c(Cl)ncc(Br)c1C ZINC001176118412 1132851908 /nfs/dbraw/zinc/85/19/08/1132851908.db2.gz KDZDKLISWQMBIM-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO COC(=O)c1cc(Nc2c[nH+]ccc2OC)c(Cl)cc1Cl ZINC001176125279 1132854149 /nfs/dbraw/zinc/85/41/49/1132854149.db2.gz XWRDCTMSRQDTDT-UHFFFAOYSA-N 1 2 327.167 3.927 20 0 EHADLO Cc1cc[nH+]c(Nc2cc(Cl)nn(-c3ccccc3)c2=O)c1C ZINC001169826443 1132862173 /nfs/dbraw/zinc/86/21/73/1132862173.db2.gz FUKNMWJBDAYAKC-UHFFFAOYSA-N 1 2 326.787 3.641 20 0 EHADLO C[NH+](C)Cc1c(F)cc(NCc2cccnc2N2CCCC2)cc1F ZINC001169860037 1132882118 /nfs/dbraw/zinc/88/21/18/1132882118.db2.gz XAFGHVQSJSPDHI-UHFFFAOYSA-N 1 2 346.425 3.634 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3ccc(S(C)(=O)=O)cc3F)ccc12 ZINC001176279004 1132888476 /nfs/dbraw/zinc/88/84/76/1132888476.db2.gz WXVYYNRVXOHBFQ-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC001169898307 1132890813 /nfs/dbraw/zinc/89/08/13/1132890813.db2.gz AIYXRQGGILJGCO-NVXWUHKLSA-N 1 2 334.529 3.877 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC001169898307 1132890823 /nfs/dbraw/zinc/89/08/23/1132890823.db2.gz AIYXRQGGILJGCO-NVXWUHKLSA-N 1 2 334.529 3.877 20 0 EHADLO COc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1O ZINC001176252691 1132894607 /nfs/dbraw/zinc/89/46/07/1132894607.db2.gz IXGVRTCTKAPPBX-UHFFFAOYSA-N 1 2 345.196 3.877 20 0 EHADLO CCC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@H](C)C(=O)OCC ZINC001169933829 1132901405 /nfs/dbraw/zinc/90/14/05/1132901405.db2.gz SPQYAPKOIYJLLR-OAHLLOKOSA-N 1 2 345.439 3.573 20 0 EHADLO CCC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@H](C)C(=O)OCC ZINC001169933829 1132901408 /nfs/dbraw/zinc/90/14/08/1132901408.db2.gz SPQYAPKOIYJLLR-OAHLLOKOSA-N 1 2 345.439 3.573 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2nc(Cl)ccc2Cl)cc1 ZINC000766895889 1132912293 /nfs/dbraw/zinc/91/22/93/1132912293.db2.gz YEFIKUJJKRSHBG-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2nc(Cl)ccc2Cl)cc1 ZINC000766895889 1132912296 /nfs/dbraw/zinc/91/22/96/1132912296.db2.gz YEFIKUJJKRSHBG-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc3nonc3c2)cc[nH+]1 ZINC001176321458 1132913265 /nfs/dbraw/zinc/91/32/65/1132913265.db2.gz YIIBWHFSVUUFLH-UHFFFAOYSA-N 1 2 327.344 3.708 20 0 EHADLO Cc1ccc(F)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC000766977378 1132925816 /nfs/dbraw/zinc/92/58/16/1132925816.db2.gz GAGVBELYTRAIAU-UHFFFAOYSA-N 1 2 328.318 3.816 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001176402046 1132931797 /nfs/dbraw/zinc/93/17/97/1132931797.db2.gz KDKKPNZODNSINV-XJKSGUPXSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@@H]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001176402046 1132931802 /nfs/dbraw/zinc/93/18/02/1132931802.db2.gz KDKKPNZODNSINV-XJKSGUPXSA-N 1 2 330.255 3.528 20 0 EHADLO CC(C)Oc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)cn1 ZINC001176482650 1132944149 /nfs/dbraw/zinc/94/41/49/1132944149.db2.gz BCNATZMODZONAS-UHFFFAOYSA-N 1 2 326.375 3.996 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000804349779 1132968810 /nfs/dbraw/zinc/96/88/10/1132968810.db2.gz JFTCHUWEPAOASC-KURKYZTESA-N 1 2 331.419 3.743 20 0 EHADLO CC(C)(C)Oc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001176638765 1132974592 /nfs/dbraw/zinc/97/45/92/1132974592.db2.gz VOBULSUNKAXZTH-INIZCTEOSA-N 1 2 327.428 3.574 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cc(C(=O)N2CCCCC2)ccc1F ZINC001176681480 1132982303 /nfs/dbraw/zinc/98/23/03/1132982303.db2.gz BJQDLLJHHSVACJ-UHFFFAOYSA-N 1 2 343.402 3.989 20 0 EHADLO O=C(c1ccc(F)c(Nc2cccn3cc[nH+]c23)c1)N1CCCCC1 ZINC001176684174 1132982632 /nfs/dbraw/zinc/98/26/32/1132982632.db2.gz SCBMMNGVBLICLC-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO COCCCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001176751013 1132992929 /nfs/dbraw/zinc/99/29/29/1132992929.db2.gz RJUPQSZBOICAJS-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cn1cc([C@H]2CCC[N@H+](Cc3cc(Cl)sc3Cl)C2)nn1 ZINC001176888085 1133007503 /nfs/dbraw/zinc/00/75/03/1133007503.db2.gz XTJZLULPVFDNNZ-VIFPVBQESA-N 1 2 331.272 3.563 20 0 EHADLO Cn1cc([C@H]2CCC[N@@H+](Cc3cc(Cl)sc3Cl)C2)nn1 ZINC001176888085 1133007507 /nfs/dbraw/zinc/00/75/07/1133007507.db2.gz XTJZLULPVFDNNZ-VIFPVBQESA-N 1 2 331.272 3.563 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)cc1OC ZINC001176946712 1133015722 /nfs/dbraw/zinc/01/57/22/1133015722.db2.gz RSOBFGPPSRKBLC-FQEVSTJZSA-N 1 2 345.414 3.747 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)cc1OC ZINC001176946712 1133015729 /nfs/dbraw/zinc/01/57/29/1133015729.db2.gz RSOBFGPPSRKBLC-FQEVSTJZSA-N 1 2 345.414 3.747 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176964655 1133016384 /nfs/dbraw/zinc/01/63/84/1133016384.db2.gz IQWQXQMLUBHXLS-QGZVFWFLSA-N 1 2 346.434 3.793 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3ccc(CC)cc3C2)s1 ZINC001177033838 1133019893 /nfs/dbraw/zinc/01/98/93/1133019893.db2.gz WHZUJNATMUBLEL-UHFFFAOYSA-N 1 2 342.508 3.547 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3ccc(CC)cc3C2)s1 ZINC001177033838 1133019899 /nfs/dbraw/zinc/01/98/99/1133019899.db2.gz WHZUJNATMUBLEL-UHFFFAOYSA-N 1 2 342.508 3.547 20 0 EHADLO O=C(CC/C=C\c1ccccc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177012339 1133021443 /nfs/dbraw/zinc/02/14/43/1133021443.db2.gz AXKCTSSQVLQFBG-HOKKKISVSA-N 1 2 338.426 3.792 20 0 EHADLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)s1 ZINC001177014537 1133021835 /nfs/dbraw/zinc/02/18/35/1133021835.db2.gz ZXUONDCTKKDFAK-OAHLLOKOSA-N 1 2 346.471 3.971 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC001177012343 1133022116 /nfs/dbraw/zinc/02/21/16/1133022116.db2.gz AYUIHCWUPFUINT-IFXJQAMLSA-N 1 2 344.405 3.632 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC001177045269 1133026140 /nfs/dbraw/zinc/02/61/40/1133026140.db2.gz HFQHCVODYIWREI-SFHVURJKSA-N 1 2 344.430 3.945 20 0 EHADLO Fc1ccccc1C[NH2+]Cc1nc(Cl)ccc1Br ZINC001177117555 1133029718 /nfs/dbraw/zinc/02/97/18/1133029718.db2.gz ZDLFQUWJFNNPMQ-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccc(C)cc2)nc1=S ZINC000767771875 1133051135 /nfs/dbraw/zinc/05/11/35/1133051135.db2.gz UBTAAAKIVVTDCW-AWEZNQCLSA-N 1 2 334.514 3.701 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1[nH]c(-c2ccc(C)cc2)nc1=S ZINC000767771875 1133051142 /nfs/dbraw/zinc/05/11/42/1133051142.db2.gz UBTAAAKIVVTDCW-AWEZNQCLSA-N 1 2 334.514 3.701 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000767777236 1133052189 /nfs/dbraw/zinc/05/21/89/1133052189.db2.gz YWCYHKMTLGPXLF-GOEBONIOSA-N 1 2 348.541 3.808 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000767777236 1133052198 /nfs/dbraw/zinc/05/21/98/1133052198.db2.gz YWCYHKMTLGPXLF-GOEBONIOSA-N 1 2 348.541 3.808 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nn1C ZINC000767900468 1133069759 /nfs/dbraw/zinc/06/97/59/1133069759.db2.gz CTKIZZLMKDMMCK-SFHVURJKSA-N 1 2 341.480 3.526 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nn1C ZINC000767900468 1133069763 /nfs/dbraw/zinc/06/97/63/1133069763.db2.gz CTKIZZLMKDMMCK-SFHVURJKSA-N 1 2 341.480 3.526 20 0 EHADLO C[C@H]1C[N@H+](Cn2ccc(Br)n2)CC[C@@H]1c1ccccc1 ZINC000767968452 1133078734 /nfs/dbraw/zinc/07/87/34/1133078734.db2.gz GOARYLBWIUVVOR-ZFWWWQNUSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@H]1C[N@@H+](Cn2ccc(Br)n2)CC[C@@H]1c1ccccc1 ZINC000767968452 1133078739 /nfs/dbraw/zinc/07/87/39/1133078739.db2.gz GOARYLBWIUVVOR-ZFWWWQNUSA-N 1 2 334.261 3.729 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1-n1cccc1 ZINC000768143466 1133097226 /nfs/dbraw/zinc/09/72/26/1133097226.db2.gz ZQPITBVMKULFPI-SFHVURJKSA-N 1 2 348.450 3.539 20 0 EHADLO COCc1cc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)no1 ZINC001177811399 1133105340 /nfs/dbraw/zinc/10/53/40/1133105340.db2.gz WSKVUZIBJSKCPW-UHFFFAOYSA-N 1 2 348.406 3.654 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001177996860 1133122294 /nfs/dbraw/zinc/12/22/94/1133122294.db2.gz NDCDCYNURNABTF-UHFFFAOYSA-N 1 2 334.301 3.548 20 0 EHADLO CC(C)(F)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000768330706 1133125592 /nfs/dbraw/zinc/12/55/92/1133125592.db2.gz YKZGQMQNWNQASU-INIZCTEOSA-N 1 2 346.471 3.712 20 0 EHADLO CC(C)(F)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000768330706 1133125594 /nfs/dbraw/zinc/12/55/94/1133125594.db2.gz YKZGQMQNWNQASU-INIZCTEOSA-N 1 2 346.471 3.712 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001177993714 1133127274 /nfs/dbraw/zinc/12/72/74/1133127274.db2.gz PLLCBPNRNRQLIU-UHFFFAOYSA-N 1 2 334.301 3.548 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001204220005 1133180187 /nfs/dbraw/zinc/18/01/87/1133180187.db2.gz UROVFRPMNQPUPL-VIFPVBQESA-N 1 2 347.287 3.746 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001204220005 1133180192 /nfs/dbraw/zinc/18/01/92/1133180192.db2.gz UROVFRPMNQPUPL-VIFPVBQESA-N 1 2 347.287 3.746 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(Br)cn1 ZINC001178608931 1133185414 /nfs/dbraw/zinc/18/54/14/1133185414.db2.gz BBOFFVLBCOFYAA-SECBINFHSA-N 1 2 348.200 3.542 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001204223372 1133188269 /nfs/dbraw/zinc/18/82/69/1133188269.db2.gz GBGAIRVWNFFVJR-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001204223372 1133188271 /nfs/dbraw/zinc/18/82/71/1133188271.db2.gz GBGAIRVWNFFVJR-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO FC(F)(F)c1cccc([C@H]2CCCC[N@@H+]2CN2CCOC2=S)c1 ZINC000768905121 1133194917 /nfs/dbraw/zinc/19/49/17/1133194917.db2.gz RQWBDWWQIJNZNS-CQSZACIVSA-N 1 2 344.402 3.807 20 0 EHADLO FC(F)(F)c1cccc([C@H]2CCCC[N@H+]2CN2CCOC2=S)c1 ZINC000768905121 1133194921 /nfs/dbraw/zinc/19/49/21/1133194921.db2.gz RQWBDWWQIJNZNS-CQSZACIVSA-N 1 2 344.402 3.807 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768912853 1133202378 /nfs/dbraw/zinc/20/23/78/1133202378.db2.gz ZUKVHQQKDMVTTP-CKEIUWERSA-N 1 2 334.410 3.503 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768912853 1133202382 /nfs/dbraw/zinc/20/23/82/1133202382.db2.gz ZUKVHQQKDMVTTP-CKEIUWERSA-N 1 2 334.410 3.503 20 0 EHADLO Cc1cc(Cl)ccc1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000768923796 1133203855 /nfs/dbraw/zinc/20/38/55/1133203855.db2.gz OJIBVRFZKMOTDN-ZDUSSCGKSA-N 1 2 329.831 3.839 20 0 EHADLO CSc1ccc(CCCC(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1 ZINC001178922348 1133213316 /nfs/dbraw/zinc/21/33/16/1133213316.db2.gz KPQGLZPXKIYVAH-UHFFFAOYSA-N 1 2 343.496 3.650 20 0 EHADLO Cc1cc(CNc2[nH+]c3ccccc3n2C)ncc1Br ZINC001179438491 1133250795 /nfs/dbraw/zinc/25/07/95/1133250795.db2.gz VOFZIJQUEDTVOF-UHFFFAOYSA-N 1 2 331.217 3.651 20 0 EHADLO O=C(CSc1ccc2ccccc2n1)Nc1cccc2[nH+]ccn21 ZINC001180030341 1133318515 /nfs/dbraw/zinc/31/85/15/1133318515.db2.gz VHVWTUDSODJVCL-UHFFFAOYSA-N 1 2 334.404 3.613 20 0 EHADLO CCOc1cccc(F)c1C[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC001180031422 1133319552 /nfs/dbraw/zinc/31/95/52/1133319552.db2.gz ZPXBZBUEEKRIAR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC001180031422 1133319556 /nfs/dbraw/zinc/31/95/56/1133319556.db2.gz ZPXBZBUEEKRIAR-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2c(OC)c1 ZINC001180085897 1133326791 /nfs/dbraw/zinc/32/67/91/1133326791.db2.gz ADGAXHLFDWXLQD-GOSISDBHSA-N 1 2 327.424 3.766 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc2ccccc2c(OC)c1 ZINC001180085897 1133326798 /nfs/dbraw/zinc/32/67/98/1133326798.db2.gz ADGAXHLFDWXLQD-GOSISDBHSA-N 1 2 327.424 3.766 20 0 EHADLO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc2ccccc2cc1O ZINC000769706306 1133332395 /nfs/dbraw/zinc/33/23/95/1133332395.db2.gz PKCSEWKUPBWDNH-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CCCN(C)c1ccccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001170009418 1133332551 /nfs/dbraw/zinc/33/25/51/1133332551.db2.gz ONXCEPXBHNQZGC-GOSISDBHSA-N 1 2 328.460 3.955 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC001180184468 1133337090 /nfs/dbraw/zinc/33/70/90/1133337090.db2.gz PTJDWAMTPAWKNV-HNNXBMFYSA-N 1 2 327.827 3.828 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCc1ccc(F)cc1Cl ZINC001180184468 1133337095 /nfs/dbraw/zinc/33/70/95/1133337095.db2.gz PTJDWAMTPAWKNV-HNNXBMFYSA-N 1 2 327.827 3.828 20 0 EHADLO O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2[nH+]ccn21 ZINC000770055730 1133382389 /nfs/dbraw/zinc/38/23/89/1133382389.db2.gz UFQPWKHZJVVNNB-UHFFFAOYSA-N 1 2 328.784 3.850 20 0 EHADLO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc2[nH+]ccn21 ZINC000770074573 1133384508 /nfs/dbraw/zinc/38/45/08/1133384508.db2.gz IAKISRJAELTJCT-FQEVSTJZSA-N 1 2 345.377 3.993 20 0 EHADLO CCc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000770098338 1133386660 /nfs/dbraw/zinc/38/66/60/1133386660.db2.gz FNIIXGIEMBPZOH-QGZVFWFLSA-N 1 2 328.460 3.990 20 0 EHADLO CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770398806 1133423434 /nfs/dbraw/zinc/42/34/34/1133423434.db2.gz FKFVVGOZXCXRSJ-KRWDZBQOSA-N 1 2 335.407 3.710 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)cc1)NCCOc1cc[nH+]cc1 ZINC001180942225 1133433357 /nfs/dbraw/zinc/43/33/57/1133433357.db2.gz NXXCMFODAOGTHC-UHFFFAOYSA-N 1 2 346.430 3.876 20 0 EHADLO CC(C)COC(=O)N1CCC(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000770480740 1133438830 /nfs/dbraw/zinc/43/88/30/1133438830.db2.gz PGDDWLPHKROGNW-UHFFFAOYSA-N 1 2 345.487 3.956 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCc1c(F)cccc1Cl ZINC001181030616 1133446916 /nfs/dbraw/zinc/44/69/16/1133446916.db2.gz GKJKPTNPTQYPPT-SFHVURJKSA-N 1 2 349.833 3.786 20 0 EHADLO COC(=O)c1c[nH]c(C[N@H+](C)Cc2cc(C)ccc2F)c1C1CC1 ZINC001181284449 1133475195 /nfs/dbraw/zinc/47/51/95/1133475195.db2.gz AFXKBKVTOHZPAI-UHFFFAOYSA-N 1 2 330.403 3.758 20 0 EHADLO COC(=O)c1c[nH]c(C[N@@H+](C)Cc2cc(C)ccc2F)c1C1CC1 ZINC001181284449 1133475200 /nfs/dbraw/zinc/47/52/00/1133475200.db2.gz AFXKBKVTOHZPAI-UHFFFAOYSA-N 1 2 330.403 3.758 20 0 EHADLO OCc1csc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)n1 ZINC001181254601 1133476961 /nfs/dbraw/zinc/47/69/61/1133476961.db2.gz ISOJKABDRJIXEQ-UHFFFAOYSA-N 1 2 340.851 3.750 20 0 EHADLO CCCC[C@@H](O)CCC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001181387414 1133482128 /nfs/dbraw/zinc/48/21/28/1133482128.db2.gz VFCMPSGYPDQRIX-IAGOWNOFSA-N 1 2 349.519 3.675 20 0 EHADLO CCc1ncc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)cn1 ZINC001181400186 1133487007 /nfs/dbraw/zinc/48/70/07/1133487007.db2.gz RHICNHYSLMDNFW-UHFFFAOYSA-N 1 2 328.416 3.591 20 0 EHADLO CCCCCC[C@@](C)(CCC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771034074 1133501920 /nfs/dbraw/zinc/50/19/20/1133501920.db2.gz PTCMQVCKXUZFRH-AZUAARDMSA-N 1 2 338.536 3.696 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)Cc1ccc(CC(C)C)cc1 ZINC001181820048 1133535112 /nfs/dbraw/zinc/53/51/12/1133535112.db2.gz BKRGTZKZTRMGHO-UHFFFAOYSA-N 1 2 345.512 3.509 20 0 EHADLO Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cn1 ZINC001181861629 1133542316 /nfs/dbraw/zinc/54/23/16/1133542316.db2.gz WGMQMTAARLMMCD-USXIJHARSA-N 1 2 349.519 3.650 20 0 EHADLO CCCC[C@@H](C)[C@@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181958895 1133556506 /nfs/dbraw/zinc/55/65/06/1133556506.db2.gz RMFDQJYBLIPWGM-HZPDHXFCSA-N 1 2 348.491 3.597 20 0 EHADLO Clc1ncc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000771465931 1133566574 /nfs/dbraw/zinc/56/65/74/1133566574.db2.gz ZHMKRALYQINUKY-UHFFFAOYSA-N 1 2 348.855 3.857 20 0 EHADLO Clc1ncc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000771465931 1133566578 /nfs/dbraw/zinc/56/65/78/1133566578.db2.gz ZHMKRALYQINUKY-UHFFFAOYSA-N 1 2 348.855 3.857 20 0 EHADLO FC(F)(F)c1nn(Cc2cccc3nsnc32)c2cc[nH+]cc21 ZINC000771666701 1133582178 /nfs/dbraw/zinc/58/21/78/1133582178.db2.gz FEEQSPBFXIYMDS-UHFFFAOYSA-N 1 2 335.314 3.503 20 0 EHADLO CCC(C)(C)NC(=S)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000774186353 1133628995 /nfs/dbraw/zinc/62/89/95/1133628995.db2.gz ZWIBKCCZJYFLTM-HNNXBMFYSA-N 1 2 328.485 3.550 20 0 EHADLO CCC(C)(C)NC(=S)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000774203773 1133631996 /nfs/dbraw/zinc/63/19/96/1133631996.db2.gz RTEXAOWEANYNLB-KRWDZBQOSA-N 1 2 344.528 3.894 20 0 EHADLO O=C(OCc1nc(C2CC2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000774208670 1133634465 /nfs/dbraw/zinc/63/44/65/1133634465.db2.gz KFHOJROQBYKBAA-UHFFFAOYSA-N 1 2 339.420 3.622 20 0 EHADLO COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001182447814 1133674671 /nfs/dbraw/zinc/67/46/71/1133674671.db2.gz IVMMMORRZIMTQF-FQEVSTJZSA-N 1 2 347.418 3.609 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2c[nH+]c3ccc(F)cn23)c(C)c1 ZINC001182899174 1133745721 /nfs/dbraw/zinc/74/57/21/1133745721.db2.gz AHXOOWZNVUZSAR-UHFFFAOYSA-N 1 2 326.375 3.720 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)cs1 ZINC000774621658 1133797029 /nfs/dbraw/zinc/79/70/29/1133797029.db2.gz UAIQPNUIQOEUDZ-AWEZNQCLSA-N 1 2 328.840 3.663 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)cs1 ZINC000774621658 1133797035 /nfs/dbraw/zinc/79/70/35/1133797035.db2.gz UAIQPNUIQOEUDZ-AWEZNQCLSA-N 1 2 328.840 3.663 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)[nH]1 ZINC001183409562 1133799769 /nfs/dbraw/zinc/79/97/69/1133799769.db2.gz NERZNBWPUKBJMX-LJQANCHMSA-N 1 2 330.403 3.652 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)[nH]1 ZINC001183409562 1133799775 /nfs/dbraw/zinc/79/97/75/1133799775.db2.gz NERZNBWPUKBJMX-LJQANCHMSA-N 1 2 330.403 3.652 20 0 EHADLO CN1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)Cc2cccnc21 ZINC001183481800 1133812693 /nfs/dbraw/zinc/81/26/93/1133812693.db2.gz IRVOPMUDAHNRBS-UHFFFAOYSA-N 1 2 335.407 3.919 20 0 EHADLO CN1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)Cc2cccnc21 ZINC001183481800 1133812699 /nfs/dbraw/zinc/81/26/99/1133812699.db2.gz IRVOPMUDAHNRBS-UHFFFAOYSA-N 1 2 335.407 3.919 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000774659726 1133838800 /nfs/dbraw/zinc/83/88/00/1133838800.db2.gz URDKXTLGXQSHQL-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000774659726 1133838804 /nfs/dbraw/zinc/83/88/04/1133838804.db2.gz URDKXTLGXQSHQL-UHFFFAOYSA-N 1 2 336.435 3.650 20 0 EHADLO Cc1cc2c(cc1C)O[C@@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000786387486 1133842815 /nfs/dbraw/zinc/84/28/15/1133842815.db2.gz DEEWRXLQEZEVDX-HXUWFJFHSA-N 1 2 348.402 3.536 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758857 1133848621 /nfs/dbraw/zinc/84/86/21/1133848621.db2.gz XVKRLPYURFSHAP-WOJBJXKFSA-N 1 2 338.426 3.668 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758857 1133848626 /nfs/dbraw/zinc/84/86/26/1133848626.db2.gz XVKRLPYURFSHAP-WOJBJXKFSA-N 1 2 338.426 3.668 20 0 EHADLO Nc1ccc(CCC(=O)Nc2ccc(C3(C(F)(F)F)CC3)cc2)c[nH+]1 ZINC001183932389 1133874024 /nfs/dbraw/zinc/87/40/24/1133874024.db2.gz RKMZNSBCCNBJFS-UHFFFAOYSA-N 1 2 349.356 3.829 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1C(C)(C)C ZINC001183905637 1133875661 /nfs/dbraw/zinc/87/56/61/1133875661.db2.gz KOECUHAVZWTCCN-ZDUSSCGKSA-N 1 2 345.270 3.501 20 0 EHADLO C[N@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1C(C)(C)C ZINC001183905637 1133875665 /nfs/dbraw/zinc/87/56/65/1133875665.db2.gz KOECUHAVZWTCCN-ZDUSSCGKSA-N 1 2 345.270 3.501 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(C(C)(C)C)ccn2)[C@@H](c2ccccc2)C1 ZINC001184541904 1133950834 /nfs/dbraw/zinc/95/08/34/1133950834.db2.gz OXLKJJYCTNIGIG-LJQANCHMSA-N 1 2 337.467 3.508 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(C(C)(C)C)ccn2)[C@@H](c2ccccc2)C1 ZINC001184541904 1133950836 /nfs/dbraw/zinc/95/08/36/1133950836.db2.gz OXLKJJYCTNIGIG-LJQANCHMSA-N 1 2 337.467 3.508 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(F)nc2C)cc1 ZINC000787130167 1133957118 /nfs/dbraw/zinc/95/71/18/1133957118.db2.gz QGVPHEDQWDXOPC-HNNXBMFYSA-N 1 2 343.446 3.530 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(F)nc2C)cc1 ZINC000787130167 1133957121 /nfs/dbraw/zinc/95/71/21/1133957121.db2.gz QGVPHEDQWDXOPC-HNNXBMFYSA-N 1 2 343.446 3.530 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184671233 1133968499 /nfs/dbraw/zinc/96/84/99/1133968499.db2.gz ANBJNFDHGYRDRH-UHFFFAOYSA-N 1 2 338.398 3.572 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)C1 ZINC000787217815 1133969100 /nfs/dbraw/zinc/96/91/00/1133969100.db2.gz DQYJACMXWKYPJK-HKUYNNGSSA-N 1 2 344.499 3.692 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CCCO[C@H](c3ccccc3)C2)C1 ZINC000787217815 1133969109 /nfs/dbraw/zinc/96/91/09/1133969109.db2.gz DQYJACMXWKYPJK-HKUYNNGSSA-N 1 2 344.499 3.692 20 0 EHADLO CC[N@H+](CC(=O)NC)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000746672327 1133990921 /nfs/dbraw/zinc/99/09/21/1133990921.db2.gz NVVBZCFDSYYMGJ-UHFFFAOYSA-N 1 2 331.485 3.501 20 0 EHADLO CC[N@@H+](CC(=O)NC)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000746672327 1133990925 /nfs/dbraw/zinc/99/09/25/1133990925.db2.gz NVVBZCFDSYYMGJ-UHFFFAOYSA-N 1 2 331.485 3.501 20 0 EHADLO Cc1cccc(C2(CC(=O)Nc3ccn4cc[nH+]c4c3)CCOCC2)c1 ZINC001185059840 1134020616 /nfs/dbraw/zinc/02/06/16/1134020616.db2.gz AFEKFIKDDOFAJL-UHFFFAOYSA-N 1 2 349.434 3.720 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000787648733 1134025154 /nfs/dbraw/zinc/02/51/54/1134025154.db2.gz DAFMFTNSHKNVGV-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000787648733 1134025158 /nfs/dbraw/zinc/02/51/58/1134025158.db2.gz DAFMFTNSHKNVGV-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO CC1(C)CC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001185155906 1134048677 /nfs/dbraw/zinc/04/86/77/1134048677.db2.gz KLMVLBMEWLVTQR-AIADIJKESA-N 1 2 326.484 3.670 20 0 EHADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268652 1134106565 /nfs/dbraw/zinc/10/65/65/1134106565.db2.gz IDYNVILQZNFXTK-WDEREUQCSA-N 1 2 340.901 3.903 20 0 EHADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1sc(Sc2ccccc2)nc1Cl ZINC000788268652 1134106570 /nfs/dbraw/zinc/10/65/70/1134106570.db2.gz IDYNVILQZNFXTK-WDEREUQCSA-N 1 2 340.901 3.903 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788333853 1134110511 /nfs/dbraw/zinc/11/05/11/1134110511.db2.gz SWFBEFPUNBOJGM-MRXNPFEDSA-N 1 2 327.453 3.549 20 0 EHADLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H]1CCC=CO1 ZINC000774904621 1134113581 /nfs/dbraw/zinc/11/35/81/1134113581.db2.gz HKFPWUGMMMHZEO-MRXNPFEDSA-N 1 2 331.416 3.591 20 0 EHADLO C[NH+](C)[C@H](CNC(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC001185916426 1134151458 /nfs/dbraw/zinc/15/14/58/1134151458.db2.gz PTMYRKGEYJLGRV-OAHLLOKOSA-N 1 2 344.286 3.838 20 0 EHADLO CCCCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788844828 1134181807 /nfs/dbraw/zinc/18/18/07/1134181807.db2.gz BFZYMWZMUWIVPZ-UHFFFAOYSA-N 1 2 332.492 3.689 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000788978926 1134205559 /nfs/dbraw/zinc/20/55/59/1134205559.db2.gz BUJXSINCHFNULR-CABCVRRESA-N 1 2 340.414 3.814 20 0 EHADLO Cc1cc(N2CCN(c3cccc(F)c3)C[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC001186601449 1134238806 /nfs/dbraw/zinc/23/88/06/1134238806.db2.gz CGGBQTZPWGZUIA-HNNXBMFYSA-N 1 2 340.446 3.907 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000789377493 1134265837 /nfs/dbraw/zinc/26/58/37/1134265837.db2.gz KXRCKHJDZPPYDP-PMACEKPBSA-N 1 2 337.419 3.596 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)COC2 ZINC000789377493 1134265841 /nfs/dbraw/zinc/26/58/41/1134265841.db2.gz KXRCKHJDZPPYDP-PMACEKPBSA-N 1 2 337.419 3.596 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2c([nH+]1)CCCC2 ZINC001186973408 1134279452 /nfs/dbraw/zinc/27/94/52/1134279452.db2.gz HCWIOJBLWNTZNZ-UHOSZYNNSA-N 1 2 329.488 3.574 20 0 EHADLO COc1ccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(F)c1 ZINC001273535255 1134300579 /nfs/dbraw/zinc/30/05/79/1134300579.db2.gz CEZAEWDTSGEDSI-UHFFFAOYSA-N 1 2 339.370 3.701 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)OC3CCCCC3)CC2)s1 ZINC001187146422 1134303746 /nfs/dbraw/zinc/30/37/46/1134303746.db2.gz JHGBZYXZXUWFOL-UHFFFAOYSA-N 1 2 336.501 3.897 20 0 EHADLO COc1cccc2[nH+]c(NCc3ccnc(-c4cnn(C)c4)c3)ccc21 ZINC001170118490 1134326786 /nfs/dbraw/zinc/32/67/86/1134326786.db2.gz BWTGMTRROBNNSU-UHFFFAOYSA-N 1 2 345.406 3.651 20 0 EHADLO Cc1cn2cccc(Nc3ccc(F)c(C(=O)N4CCCC4)c3)c2[nH+]1 ZINC001187496809 1134343065 /nfs/dbraw/zinc/34/30/65/1134343065.db2.gz RDAKYGCQFJCCDS-UHFFFAOYSA-N 1 2 338.386 3.761 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC001187966407 1134412054 /nfs/dbraw/zinc/41/20/54/1134412054.db2.gz CJFNQSBCOIILMA-UHFFFAOYSA-N 1 2 342.418 3.608 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(C(F)F)c1 ZINC000791128487 1134507817 /nfs/dbraw/zinc/50/78/17/1134507817.db2.gz PQRUFNGFVMUSHH-HNNXBMFYSA-N 1 2 335.398 3.594 20 0 EHADLO COc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1F ZINC000791279653 1134529172 /nfs/dbraw/zinc/52/91/72/1134529172.db2.gz GBKQMXMGQVKSRB-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000791328073 1134532111 /nfs/dbraw/zinc/53/21/11/1134532111.db2.gz BXKPWYGGRLFQCQ-UHFFFAOYSA-N 1 2 334.423 3.536 20 0 EHADLO CC(=O)c1ccccc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791415915 1134548298 /nfs/dbraw/zinc/54/82/98/1134548298.db2.gz HNMMRSVHSKGQSV-UHFFFAOYSA-N 1 2 334.375 3.740 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1scnc1C1CC1 ZINC000791436596 1134550099 /nfs/dbraw/zinc/55/00/99/1134550099.db2.gz XPWLLBZYCLJMOE-UHFFFAOYSA-N 1 2 339.420 3.872 20 0 EHADLO Nc1cc(COC(=O)CSc2cc(Cl)ccc2Cl)cc[nH+]1 ZINC000791493885 1134559887 /nfs/dbraw/zinc/55/98/87/1134559887.db2.gz JUWZHDHBAFSEER-UHFFFAOYSA-N 1 2 343.235 3.806 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccn(C2CCCCC2)n1 ZINC000791545998 1134566823 /nfs/dbraw/zinc/56/68/23/1134566823.db2.gz KJMONSUKJQMRGQ-UHFFFAOYSA-N 1 2 349.438 3.504 20 0 EHADLO CC(C)OCc1c2ccccc2oc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791568888 1134568908 /nfs/dbraw/zinc/56/89/08/1134568908.db2.gz IBNSAGVIRDXUDE-UHFFFAOYSA-N 1 2 340.379 3.692 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189339648 1134573946 /nfs/dbraw/zinc/57/39/46/1134573946.db2.gz LCZLLNBGPHLYAE-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO Nc1cc(COC(=O)CCc2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000791673265 1134589047 /nfs/dbraw/zinc/58/90/47/1134589047.db2.gz CMVSZURKNDFCDW-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000791868210 1134625715 /nfs/dbraw/zinc/62/57/15/1134625715.db2.gz BDLQTRHEZBMWBF-QWHCGFSZSA-N 1 2 337.206 3.818 20 0 EHADLO Nc1cc(COC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000791949287 1134637737 /nfs/dbraw/zinc/63/77/37/1134637737.db2.gz DRNVPLKWHFUZDK-ZIAGYGMSSA-N 1 2 337.206 3.818 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190098020 1134655056 /nfs/dbraw/zinc/65/50/56/1134655056.db2.gz MZARADSNEHEGON-HNNXBMFYSA-N 1 2 335.407 3.714 20 0 EHADLO Cc1ccc(CCCNC(=O)c2ccccc2-n2cc[nH+]c2)s1 ZINC001190099639 1134655675 /nfs/dbraw/zinc/65/56/75/1134655675.db2.gz KISVSIJIVOSXCS-UHFFFAOYSA-N 1 2 325.437 3.605 20 0 EHADLO CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1F ZINC001190692081 1134740918 /nfs/dbraw/zinc/74/09/18/1134740918.db2.gz YZUQSZJGESFRAJ-UHFFFAOYSA-N 1 2 343.333 3.802 20 0 EHADLO CCOC(=O)C[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC001190761829 1134741637 /nfs/dbraw/zinc/74/16/37/1134741637.db2.gz UFNJLTJPJGANEE-UHFFFAOYSA-N 1 2 336.229 3.597 20 0 EHADLO CCOC(=O)C[N@@H+](C)Cc1cccc2c(Br)cccc12 ZINC001190761829 1134741643 /nfs/dbraw/zinc/74/16/43/1134741643.db2.gz UFNJLTJPJGANEE-UHFFFAOYSA-N 1 2 336.229 3.597 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001190729433 1134743833 /nfs/dbraw/zinc/74/38/33/1134743833.db2.gz BNLAALXQZNEKEX-HXUWFJFHSA-N 1 2 344.474 3.928 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000792712750 1134777697 /nfs/dbraw/zinc/77/76/97/1134777697.db2.gz QYMHGOBYRROOIJ-QGZVFWFLSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000792712750 1134777704 /nfs/dbraw/zinc/77/77/04/1134777704.db2.gz QYMHGOBYRROOIJ-QGZVFWFLSA-N 1 2 344.405 3.679 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCCOC[C@H]3C)c2=S)c1 ZINC000772821138 1134790951 /nfs/dbraw/zinc/79/09/51/1134790951.db2.gz JWCZGXQVSKNGON-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCCOC[C@H]3C)c2=S)c1 ZINC000772821138 1134790956 /nfs/dbraw/zinc/79/09/56/1134790956.db2.gz JWCZGXQVSKNGON-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](F)CC1CCCCC1 ZINC000793105153 1134854782 /nfs/dbraw/zinc/85/47/82/1134854782.db2.gz WBSBHRXZPIQNOE-SFHVURJKSA-N 1 2 347.478 3.997 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000793249444 1134889130 /nfs/dbraw/zinc/88/91/30/1134889130.db2.gz HOVSXHXEAHRQND-UHFFFAOYSA-N 1 2 332.831 3.671 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CSc1cc(Cl)ccc1Cl ZINC000793238339 1134893774 /nfs/dbraw/zinc/89/37/74/1134893774.db2.gz MTXHJAXTDMLODN-UHFFFAOYSA-N 1 2 345.251 3.605 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)o1 ZINC001191610672 1134896687 /nfs/dbraw/zinc/89/66/87/1134896687.db2.gz PDCBCRFXVRIQCI-UHFFFAOYSA-N 1 2 341.432 3.562 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(F)(F)Cc2ccccc2)c1C ZINC000793280767 1134900870 /nfs/dbraw/zinc/90/08/70/1134900870.db2.gz NTETWAQLHKPVJG-UHFFFAOYSA-N 1 2 348.393 3.543 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+](CCO)Cc1cccnc1Cl ZINC000793365573 1134911607 /nfs/dbraw/zinc/91/16/07/1134911607.db2.gz IFAPFMBGJPDPQV-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccnc1Cl ZINC000793365573 1134911614 /nfs/dbraw/zinc/91/16/14/1134911614.db2.gz IFAPFMBGJPDPQV-UHFFFAOYSA-N 1 2 325.239 3.691 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)[nH]1 ZINC001192627044 1135041835 /nfs/dbraw/zinc/04/18/35/1135041835.db2.gz SDCQTOZBZWOJHE-HTQZYQBOSA-N 1 2 330.766 3.780 20 0 EHADLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCSC(F)(F)F ZINC001192672864 1135043601 /nfs/dbraw/zinc/04/36/01/1135043601.db2.gz JYBZYNYQOKYCKR-MNOVXSKESA-N 1 2 342.427 3.569 20 0 EHADLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCSC(F)(F)F ZINC001192672864 1135043603 /nfs/dbraw/zinc/04/36/03/1135043603.db2.gz JYBZYNYQOKYCKR-MNOVXSKESA-N 1 2 342.427 3.569 20 0 EHADLO Fc1cccc(C2([NH2+]Cc3sncc3Br)CC2)c1 ZINC001192690054 1135045337 /nfs/dbraw/zinc/04/53/37/1135045337.db2.gz OTYMHLDWBOCYOS-UHFFFAOYSA-N 1 2 327.222 3.824 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC001192744450 1135049145 /nfs/dbraw/zinc/04/91/45/1135049145.db2.gz DKHHZOIKELWEEO-GFCCVEGCSA-N 1 2 345.468 3.518 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC001193136089 1135108773 /nfs/dbraw/zinc/10/87/73/1135108773.db2.gz IYCDNBOFQIDEHI-RDTXWAMCSA-N 1 2 343.402 3.535 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001193346025 1135127925 /nfs/dbraw/zinc/12/79/25/1135127925.db2.gz JLDFOALXUKLGOW-UHFFFAOYSA-N 1 2 341.842 3.844 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001193346025 1135127931 /nfs/dbraw/zinc/12/79/31/1135127931.db2.gz JLDFOALXUKLGOW-UHFFFAOYSA-N 1 2 341.842 3.844 20 0 EHADLO Cn1ccc(-c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC001193666477 1135168993 /nfs/dbraw/zinc/16/89/93/1135168993.db2.gz METGELYFQNAQJT-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(Br)c(F)c2)cc(C)[nH+]1 ZINC001129858991 1135173167 /nfs/dbraw/zinc/17/31/67/1135173167.db2.gz WCGPWUQZZCOCIL-UHFFFAOYSA-N 1 2 337.192 3.530 20 0 EHADLO CC(C)COC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001193860072 1135196982 /nfs/dbraw/zinc/19/69/82/1135196982.db2.gz UAPJALAJTPWXEO-CQSZACIVSA-N 1 2 333.259 3.978 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+](C)Cc2cc(C)ccc2F)c1 ZINC001193908355 1135203018 /nfs/dbraw/zinc/20/30/18/1135203018.db2.gz YCKIYXSJYDZVCH-UHFFFAOYSA-N 1 2 331.387 3.561 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+](C)Cc2cc(C)ccc2F)c1 ZINC001193908355 1135203021 /nfs/dbraw/zinc/20/30/21/1135203021.db2.gz YCKIYXSJYDZVCH-UHFFFAOYSA-N 1 2 331.387 3.561 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC001193962287 1135206558 /nfs/dbraw/zinc/20/65/58/1135206558.db2.gz FEZYDAWSKDTRPP-GOSISDBHSA-N 1 2 341.398 3.986 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccccc1OC(F)F ZINC001193962287 1135206560 /nfs/dbraw/zinc/20/65/60/1135206560.db2.gz FEZYDAWSKDTRPP-GOSISDBHSA-N 1 2 341.398 3.986 20 0 EHADLO Fc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC001170469066 1135209738 /nfs/dbraw/zinc/20/97/38/1135209738.db2.gz LMDPRCDZTQQVEF-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)OCC ZINC001194030567 1135217167 /nfs/dbraw/zinc/21/71/67/1135217167.db2.gz PUYTUHPSUQUBME-ABAIWWIYSA-N 1 2 348.270 3.690 20 0 EHADLO CCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H](C)C(=O)OCC ZINC001194030567 1135217170 /nfs/dbraw/zinc/21/71/70/1135217170.db2.gz PUYTUHPSUQUBME-ABAIWWIYSA-N 1 2 348.270 3.690 20 0 EHADLO Cc1cc(CNC(=O)Cc2coc3c2ccc(F)c3F)cc(C)[nH+]1 ZINC001130047256 1135227258 /nfs/dbraw/zinc/22/72/58/1135227258.db2.gz ZGCVWDFPOOCYGA-UHFFFAOYSA-N 1 2 330.334 3.582 20 0 EHADLO COc1c(Cl)c(Cl)sc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001194548892 1135284348 /nfs/dbraw/zinc/28/43/48/1135284348.db2.gz SZQROTFSHNPBHY-UHFFFAOYSA-N 1 2 343.235 3.621 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc(CCC)n1 ZINC000805775005 1135325220 /nfs/dbraw/zinc/32/52/20/1135325220.db2.gz XFQPLRZTPRTETJ-HNNXBMFYSA-N 1 2 339.505 3.586 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc(CCC)n1 ZINC000805775005 1135325227 /nfs/dbraw/zinc/32/52/27/1135325227.db2.gz XFQPLRZTPRTETJ-HNNXBMFYSA-N 1 2 339.505 3.586 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC001194895408 1135336632 /nfs/dbraw/zinc/33/66/32/1135336632.db2.gz SDIQGTMTWZSRJU-QGZVFWFLSA-N 1 2 349.409 3.856 20 0 EHADLO CC(=O)c1c(F)cccc1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194906843 1135338683 /nfs/dbraw/zinc/33/86/83/1135338683.db2.gz ILMSEJOANSOYKB-UHFFFAOYSA-N 1 2 337.354 3.681 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c(F)c1 ZINC001194909700 1135339552 /nfs/dbraw/zinc/33/95/52/1135339552.db2.gz PNLPPIZIJASILT-UHFFFAOYSA-N 1 2 337.354 3.681 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3ccccc3C)CC2)cs1 ZINC000805846547 1135344278 /nfs/dbraw/zinc/34/42/78/1135344278.db2.gz ORVDHJMOJBVTCT-UHFFFAOYSA-N 1 2 330.453 3.578 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CCCCC2)nc1-c1ccncc1 ZINC000101539144 1135349608 /nfs/dbraw/zinc/34/96/08/1135349608.db2.gz GBCQJUDQJMZFMI-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CCCCC2)nc1-c1ccncc1 ZINC000101539144 1135349613 /nfs/dbraw/zinc/34/96/13/1135349613.db2.gz GBCQJUDQJMZFMI-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC(C3CC3)C3CC3)CC2)cs1 ZINC000805940484 1135353968 /nfs/dbraw/zinc/35/39/68/1135353968.db2.gz QRDYSLIHOLTBRM-UHFFFAOYSA-N 1 2 348.512 3.643 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Oc2ccc(F)cc2)CC1 ZINC001195035665 1135357112 /nfs/dbraw/zinc/35/71/12/1135357112.db2.gz NOUOOHUWDWMDJU-AWEZNQCLSA-N 1 2 346.377 3.842 20 0 EHADLO CC[NH+](CC)c1ccc(NS(=O)(=O)CC[Si](C)(C)C)c(C)c1 ZINC001195072917 1135363710 /nfs/dbraw/zinc/36/37/10/1135363710.db2.gz YRTNQQHLXAESSF-UHFFFAOYSA-N 1 2 342.581 3.921 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930527 1135367903 /nfs/dbraw/zinc/36/79/03/1135367903.db2.gz RWXISYKJZRHHBF-GFCCVEGCSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930527 1135367910 /nfs/dbraw/zinc/36/79/10/1135367910.db2.gz RWXISYKJZRHHBF-GFCCVEGCSA-N 1 2 337.341 3.766 20 0 EHADLO Cc1cccn2c(CNC(=O)Oc3ccccc3C(F)(F)F)c[nH+]c12 ZINC001195200504 1135391114 /nfs/dbraw/zinc/39/11/14/1135391114.db2.gz FUXPDPKPUFJUNU-UHFFFAOYSA-N 1 2 349.312 3.950 20 0 EHADLO COc1ccccc1OC(=O)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001195292476 1135408363 /nfs/dbraw/zinc/40/83/63/1135408363.db2.gz LSIPPNKEFBNVAX-ZDUSSCGKSA-N 1 2 325.368 3.501 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C[C@H](CC)O1 ZINC001195300787 1135409187 /nfs/dbraw/zinc/40/91/87/1135409187.db2.gz VNZBNGYQLGTCOX-OGWHTMIXSA-N 1 2 344.499 3.632 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C[C@H](CC)O1 ZINC001195300787 1135409190 /nfs/dbraw/zinc/40/91/90/1135409190.db2.gz VNZBNGYQLGTCOX-OGWHTMIXSA-N 1 2 344.499 3.632 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCc3cc(C)ccc3C2)c1Cl ZINC001195305706 1135409826 /nfs/dbraw/zinc/40/98/26/1135409826.db2.gz FKNJHVJCZVGOMA-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCc3cc(C)ccc3C2)c1Cl ZINC001195305706 1135409830 /nfs/dbraw/zinc/40/98/30/1135409830.db2.gz FKNJHVJCZVGOMA-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001195343123 1135414530 /nfs/dbraw/zinc/41/45/30/1135414530.db2.gz WFSRSQYFZWFNFR-GOSISDBHSA-N 1 2 339.863 3.902 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001195343123 1135414536 /nfs/dbraw/zinc/41/45/36/1135414536.db2.gz WFSRSQYFZWFNFR-GOSISDBHSA-N 1 2 339.863 3.902 20 0 EHADLO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)OC(C)(C)C ZINC001196124911 1135523316 /nfs/dbraw/zinc/52/33/16/1135523316.db2.gz OTEOLOFZQFKREU-SOUVJXGZSA-N 1 2 325.493 3.823 20 0 EHADLO CCc1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc[nH+]1 ZINC001196161197 1135525748 /nfs/dbraw/zinc/52/57/48/1135525748.db2.gz GWWKUIKXYVMZKM-UHFFFAOYSA-N 1 2 325.359 3.894 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C3CC4(CC4)C3)n2)C1 ZINC000867180897 1135577717 /nfs/dbraw/zinc/57/77/17/1135577717.db2.gz IWLPIARHEBIQCR-QGZVFWFLSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C3CC4(CC4)C3)n2)C1 ZINC000867180897 1135577718 /nfs/dbraw/zinc/57/77/18/1135577718.db2.gz IWLPIARHEBIQCR-QGZVFWFLSA-N 1 2 339.439 3.609 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196576855 1135584541 /nfs/dbraw/zinc/58/45/41/1135584541.db2.gz LLCBGQLAFCSWFC-UHFFFAOYSA-N 1 2 343.333 3.796 20 0 EHADLO C/C(=C\c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184412 1135584922 /nfs/dbraw/zinc/58/49/22/1135584922.db2.gz YXNCHJDCNHCYIO-OTMARIDSSA-N 1 2 339.439 3.765 20 0 EHADLO C/C(=C\c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184412 1135584925 /nfs/dbraw/zinc/58/49/25/1135584925.db2.gz YXNCHJDCNHCYIO-OTMARIDSSA-N 1 2 339.439 3.765 20 0 EHADLO S=C(Nc1ccc(Br)cc1)Nc1cccc2[nH+]ccn21 ZINC001196589375 1135587023 /nfs/dbraw/zinc/58/70/23/1135587023.db2.gz ILOZEAMHYMSBBB-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000808166411 1135629601 /nfs/dbraw/zinc/62/96/01/1135629601.db2.gz YPCWLJPDXMDGMI-AYOQOUSVSA-N 1 2 335.451 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000808166411 1135629603 /nfs/dbraw/zinc/62/96/03/1135629603.db2.gz YPCWLJPDXMDGMI-AYOQOUSVSA-N 1 2 335.451 3.642 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ncc(-c2ccccc2)cn1 ZINC001197241746 1135663699 /nfs/dbraw/zinc/66/36/99/1135663699.db2.gz HWMKFUWONHZVOP-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO c1ccc(N2CCCCC2)c(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000808437441 1135667563 /nfs/dbraw/zinc/66/75/63/1135667563.db2.gz NMBYEHUNPKEYDD-UHFFFAOYSA-N 1 2 325.456 3.834 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)s2)C1 ZINC001197326388 1135679567 /nfs/dbraw/zinc/67/95/67/1135679567.db2.gz QSVVLVMFOIKFCT-JTQLQIEISA-N 1 2 344.196 3.664 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001197326388 1135679569 /nfs/dbraw/zinc/67/95/69/1135679569.db2.gz QSVVLVMFOIKFCT-JTQLQIEISA-N 1 2 344.196 3.664 20 0 EHADLO Cc1cc(NC(=O)C=Cc2ccc3ccc(Cl)cc3n2)c(C)c[nH+]1 ZINC000747524592 1135721214 /nfs/dbraw/zinc/72/12/14/1135721214.db2.gz ARBAIKGTBVQBJR-BQYQJAHWSA-N 1 2 337.810 3.974 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000747529912 1135746709 /nfs/dbraw/zinc/74/67/09/1135746709.db2.gz FVWXQWGUCVSQSI-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000747529912 1135746713 /nfs/dbraw/zinc/74/67/13/1135746713.db2.gz FVWXQWGUCVSQSI-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC001198000849 1135760237 /nfs/dbraw/zinc/76/02/37/1135760237.db2.gz KMLMMVAJNDTXKB-ZDUSSCGKSA-N 1 2 329.271 3.873 20 0 EHADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC001198000849 1135760242 /nfs/dbraw/zinc/76/02/42/1135760242.db2.gz KMLMMVAJNDTXKB-ZDUSSCGKSA-N 1 2 329.271 3.873 20 0 EHADLO C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081455206 1135767113 /nfs/dbraw/zinc/76/71/13/1135767113.db2.gz NSLWYCWVAQSDSZ-HNNXBMFYSA-N 1 2 339.464 3.696 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC001198072687 1135773573 /nfs/dbraw/zinc/77/35/73/1135773573.db2.gz ZKWBXVYVOIIYPR-UHFFFAOYSA-N 1 2 344.499 3.912 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC001198072687 1135773577 /nfs/dbraw/zinc/77/35/77/1135773577.db2.gz ZKWBXVYVOIIYPR-UHFFFAOYSA-N 1 2 344.499 3.912 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1c(Cl)ccc(F)c1Cl ZINC000809177519 1135789837 /nfs/dbraw/zinc/78/98/37/1135789837.db2.gz FVYIVZNANIFJGX-UHFFFAOYSA-N 1 2 331.174 3.853 20 0 EHADLO CC[C@H]1CCC[C@]1(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131737164 1135846067 /nfs/dbraw/zinc/84/60/67/1135846067.db2.gz KOCKCCOZXAZMTL-RXVVDRJESA-N 1 2 344.499 3.556 20 0 EHADLO CC[N@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccc(F)cc1 ZINC000809549233 1135855212 /nfs/dbraw/zinc/85/52/12/1135855212.db2.gz HFWUQSIYWDXQRS-GFCCVEGCSA-N 1 2 336.432 3.911 20 0 EHADLO CC[N@@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccc(F)cc1 ZINC000809549233 1135855214 /nfs/dbraw/zinc/85/52/14/1135855214.db2.gz HFWUQSIYWDXQRS-GFCCVEGCSA-N 1 2 336.432 3.911 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592894 1135859453 /nfs/dbraw/zinc/85/94/53/1135859453.db2.gz KGOZWSBPPXKFGU-IRXDYDNUSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592894 1135859457 /nfs/dbraw/zinc/85/94/57/1135859457.db2.gz KGOZWSBPPXKFGU-IRXDYDNUSA-N 1 2 343.448 3.819 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000809691050 1135867401 /nfs/dbraw/zinc/86/74/01/1135867401.db2.gz HHWQVHOFPSZVSA-CYBMUJFWSA-N 1 2 339.505 3.541 20 0 EHADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000809691050 1135867405 /nfs/dbraw/zinc/86/74/05/1135867405.db2.gz HHWQVHOFPSZVSA-CYBMUJFWSA-N 1 2 339.505 3.541 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC)C(=O)OC(C)(C)C ZINC001170585369 1135869315 /nfs/dbraw/zinc/86/93/15/1135869315.db2.gz COWCKBXUCLUTOG-CABCVRRESA-N 1 2 329.481 3.598 20 0 EHADLO CCCn1cc(CNC[C@H](c2ccccc2Cl)[NH+](CC)CC)nn1 ZINC001199000828 1135873943 /nfs/dbraw/zinc/87/39/43/1135873943.db2.gz KLVURBVQNFRGQG-GOSISDBHSA-N 1 2 349.910 3.514 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000809721475 1135878260 /nfs/dbraw/zinc/87/82/60/1135878260.db2.gz RYPLAMMJKBOWQJ-CYBMUJFWSA-N 1 2 343.456 3.645 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000809721475 1135878263 /nfs/dbraw/zinc/87/82/63/1135878263.db2.gz RYPLAMMJKBOWQJ-CYBMUJFWSA-N 1 2 343.456 3.645 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809722869 1135879020 /nfs/dbraw/zinc/87/90/20/1135879020.db2.gz LHCNJUQHNXDCDP-CQSZACIVSA-N 1 2 339.505 3.709 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809722869 1135879023 /nfs/dbraw/zinc/87/90/23/1135879023.db2.gz LHCNJUQHNXDCDP-CQSZACIVSA-N 1 2 339.505 3.709 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+]Cc1ccc(Cl)s1 ZINC001199078494 1135879240 /nfs/dbraw/zinc/87/92/40/1135879240.db2.gz QWMYXCLKKXKYBP-UHFFFAOYSA-N 1 2 335.629 3.988 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cn1 ZINC000809753202 1135886106 /nfs/dbraw/zinc/88/61/06/1135886106.db2.gz ZZZCFSMNFZBSCV-INIZCTEOSA-N 1 2 343.450 3.766 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cn1 ZINC000809753202 1135886108 /nfs/dbraw/zinc/88/61/08/1135886108.db2.gz ZZZCFSMNFZBSCV-INIZCTEOSA-N 1 2 343.450 3.766 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1)c1ccco1 ZINC001199228387 1135888874 /nfs/dbraw/zinc/88/88/74/1135888874.db2.gz UMDSUEUBPSLGRU-UHFFFAOYSA-N 1 2 347.374 3.963 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810027329 1135911499 /nfs/dbraw/zinc/91/14/99/1135911499.db2.gz XAJWHVBJKMHNMS-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810027329 1135911502 /nfs/dbraw/zinc/91/15/02/1135911502.db2.gz XAJWHVBJKMHNMS-PKOBYXMFSA-N 1 2 330.472 3.638 20 0 EHADLO CCCc1ncc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC001132072287 1135921632 /nfs/dbraw/zinc/92/16/32/1135921632.db2.gz VETCQUSIHSRWLN-HNNXBMFYSA-N 1 2 343.496 3.615 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC001199702232 1135925069 /nfs/dbraw/zinc/92/50/69/1135925069.db2.gz SDSLCALTHMSPJM-GFCCVEGCSA-N 1 2 332.835 3.601 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129464 1135925352 /nfs/dbraw/zinc/92/53/52/1135925352.db2.gz FWCJLJDWNCHGTL-CABCVRRESA-N 1 2 327.428 3.912 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(O)ccc2Cl)n1 ZINC000810190586 1135935970 /nfs/dbraw/zinc/93/59/70/1135935970.db2.gz SKYYMDPMFKECGW-UHFFFAOYSA-N 1 2 339.848 3.596 20 0 EHADLO S=C(Nc1cccc(Cn2cc[nH+]c2)c1)NC1CCCCCC1 ZINC001199968616 1135941775 /nfs/dbraw/zinc/94/17/75/1135941775.db2.gz BIJDKSGRLOHPRG-UHFFFAOYSA-N 1 2 328.485 3.941 20 0 EHADLO Cc1cc([C@H](C)[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)no1 ZINC000810232956 1135942123 /nfs/dbraw/zinc/94/21/23/1135942123.db2.gz PBDYSHLXBUEYEN-HZMBPMFUSA-N 1 2 348.752 3.737 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@H]2CCC[C@@H](c3ccccc3)O2)C2CC2)no1 ZINC001170603507 1135955357 /nfs/dbraw/zinc/95/53/57/1135955357.db2.gz AOCYDFHFNYKTBB-WSTZPKSXSA-N 1 2 341.455 3.903 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(F)CCCCC1 ZINC000810455583 1135966222 /nfs/dbraw/zinc/96/62/22/1135966222.db2.gz NCPHXFZOHUHNNI-UHFFFAOYSA-N 1 2 347.478 3.819 20 0 EHADLO CCCc1cc[nH+]c(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC001201239419 1135997971 /nfs/dbraw/zinc/99/79/71/1135997971.db2.gz JKIWDBIHFDWISV-UHFFFAOYSA-N 1 2 347.484 3.855 20 0 EHADLO Nc1ccc(Nc2cccc(Cl)c2I)c[nH+]1 ZINC001201285166 1136001058 /nfs/dbraw/zinc/00/10/58/1136001058.db2.gz BNFGIBSRZJYHNQ-UHFFFAOYSA-N 1 2 345.571 3.665 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000810756224 1136001916 /nfs/dbraw/zinc/00/19/16/1136001916.db2.gz YUHHSOVNLJAVRZ-UHFFFAOYSA-N 1 2 343.789 3.810 20 0 EHADLO COC(=O)c1sc(-c2ccccc2)cc1Nc1ccc(N)[nH+]c1 ZINC001201272098 1136002609 /nfs/dbraw/zinc/00/26/09/1136002609.db2.gz IWUDJVITAYESBG-UHFFFAOYSA-N 1 2 325.393 3.923 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001201451674 1136026500 /nfs/dbraw/zinc/02/65/00/1136026500.db2.gz VUCKWDNDRCUMGD-UHJLXDEBSA-N 1 2 336.273 3.923 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001201451674 1136026504 /nfs/dbraw/zinc/02/65/04/1136026504.db2.gz VUCKWDNDRCUMGD-UHJLXDEBSA-N 1 2 336.273 3.923 20 0 EHADLO Cc1ccc(F)c(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747660876 1136027449 /nfs/dbraw/zinc/02/74/49/1136027449.db2.gz XVRZEHVIIMQZDJ-UHFFFAOYSA-N 1 2 342.443 3.619 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CCC2 ZINC001201618025 1136047580 /nfs/dbraw/zinc/04/75/80/1136047580.db2.gz LYGLMPVTTCWFEM-CVEARBPZSA-N 1 2 346.500 3.939 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](C4CCC4)CC3)[nH+]c12 ZINC001132683223 1136059389 /nfs/dbraw/zinc/05/93/89/1136059389.db2.gz IQDFWAGTOMAXNA-QGZVFWFLSA-N 1 2 325.456 3.614 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1ccc(CF)cc1 ZINC000811325157 1136074586 /nfs/dbraw/zinc/07/45/86/1136074586.db2.gz IXDNDTSLHGVJRS-UHFFFAOYSA-N 1 2 338.382 3.687 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(F)cc1)Nc1ccccc1F ZINC001202010250 1136081034 /nfs/dbraw/zinc/08/10/34/1136081034.db2.gz RHCFLIUXDFJPME-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001202031006 1136089535 /nfs/dbraw/zinc/08/95/35/1136089535.db2.gz APYYOBBZVYYKTJ-UHFFFAOYSA-N 1 2 349.475 3.928 20 0 EHADLO CCOCCCCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000867433037 1136099212 /nfs/dbraw/zinc/09/92/12/1136099212.db2.gz LCHHQEQCYFMGEZ-INIZCTEOSA-N 1 2 338.517 3.550 20 0 EHADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000811511402 1136102294 /nfs/dbraw/zinc/10/22/94/1136102294.db2.gz IDDHERUVQAVNGF-ZDUSSCGKSA-N 1 2 328.865 3.645 20 0 EHADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000811511402 1136102298 /nfs/dbraw/zinc/10/22/98/1136102298.db2.gz IDDHERUVQAVNGF-ZDUSSCGKSA-N 1 2 328.865 3.645 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C)[nH+]cc1C ZINC001202245743 1136119301 /nfs/dbraw/zinc/11/93/01/1136119301.db2.gz OROCSUPPOPYTNG-INIZCTEOSA-N 1 2 331.847 3.917 20 0 EHADLO Cc1ccc(-c2nn(C[NH+]3C[C@H]4CCCC[C@@H]4C3)c(=O)cc2C)cc1 ZINC000811753490 1136135759 /nfs/dbraw/zinc/13/57/59/1136135759.db2.gz CDXZZTWMAYPROX-RTBURBONSA-N 1 2 337.467 3.607 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC001202381840 1136136965 /nfs/dbraw/zinc/13/69/65/1136136965.db2.gz POGVPFQPHYYEBY-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)n2c1 ZINC001202413693 1136138494 /nfs/dbraw/zinc/13/84/94/1136138494.db2.gz NYTMGHIOCKIFSQ-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1ccc(C(F)(F)F)cc1 ZINC001202420791 1136139451 /nfs/dbraw/zinc/13/94/51/1136139451.db2.gz XEHFBGCDRJCFBW-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO c1csc(-c2ccn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000811790838 1136140630 /nfs/dbraw/zinc/14/06/30/1136140630.db2.gz OJZMBKJPXBSLGD-WBVHZDCISA-N 1 2 329.469 3.603 20 0 EHADLO c1csc(-c2ccn(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000811790838 1136140632 /nfs/dbraw/zinc/14/06/32/1136140632.db2.gz OJZMBKJPXBSLGD-WBVHZDCISA-N 1 2 329.469 3.603 20 0 EHADLO Cc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cnc1Cl ZINC000811837898 1136143643 /nfs/dbraw/zinc/14/36/43/1136143643.db2.gz JIYAIRKUHIGMFO-UHFFFAOYSA-N 1 2 331.725 3.992 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000338919826 1136170836 /nfs/dbraw/zinc/17/08/36/1136170836.db2.gz IWIMSYXTIDOPKE-UHFFFAOYSA-N 1 2 343.452 3.622 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)C[C@H]3CCCOC3)c(=S)o2)c(C)c1 ZINC000107671169 1136175272 /nfs/dbraw/zinc/17/52/72/1136175272.db2.gz SODFDFDREWLWKR-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CCCOC3)c(=S)o2)c(C)c1 ZINC000107671169 1136175274 /nfs/dbraw/zinc/17/52/74/1136175274.db2.gz SODFDFDREWLWKR-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccccc2OCc2cccnc2)cs1 ZINC000107716182 1136176572 /nfs/dbraw/zinc/17/65/72/1136176572.db2.gz IQSINCGTWANSDO-UHFFFAOYSA-N 1 2 339.464 3.969 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@H](C)C(C)(C)C ZINC001133246904 1136194909 /nfs/dbraw/zinc/19/49/09/1136194909.db2.gz BTWAAUVEGJYBOJ-NSHDSACASA-N 1 2 337.414 3.764 20 0 EHADLO Brc1ccc2oc(C[NH2+][C@H]3CCn4ccnc43)cc2c1 ZINC000850312551 1136233939 /nfs/dbraw/zinc/23/39/39/1136233939.db2.gz QXILJMHTZUNGJD-ZDUSSCGKSA-N 1 2 332.201 3.626 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)o1 ZINC000812902095 1136270504 /nfs/dbraw/zinc/27/05/04/1136270504.db2.gz GFWGGXPDVFGGBG-AWEZNQCLSA-N 1 2 342.443 3.569 20 0 EHADLO Cc1ccsc1CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000747829493 1136270764 /nfs/dbraw/zinc/27/07/64/1136270764.db2.gz YFMKLLBEQMDCKE-UHFFFAOYSA-N 1 2 339.464 3.881 20 0 EHADLO COC[C@@H](C)[C@@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000813098195 1136287450 /nfs/dbraw/zinc/28/74/50/1136287450.db2.gz NKMHCMKDOWQVJX-HUUCEWRRSA-N 1 2 342.439 3.710 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1C ZINC000747852653 1136322689 /nfs/dbraw/zinc/32/26/89/1136322689.db2.gz BCZYFNNAVKJCGV-UHFFFAOYSA-N 1 2 343.446 3.736 20 0 EHADLO Cc1csc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 ZINC000173190320 1136341746 /nfs/dbraw/zinc/34/17/46/1136341746.db2.gz VVSRBKOKNYKLSR-INIZCTEOSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1csc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 ZINC000173190320 1136341750 /nfs/dbraw/zinc/34/17/50/1136341750.db2.gz VVSRBKOKNYKLSR-INIZCTEOSA-N 1 2 344.484 3.628 20 0 EHADLO O=C(/C=C/c1ccccc1F)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398258 1136375890 /nfs/dbraw/zinc/37/58/90/1136375890.db2.gz RNFJWJWCQVWPST-CMDGGOBGSA-N 1 2 340.398 3.694 20 0 EHADLO Cc1cc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c(F)cc1F ZINC000851398467 1136376139 /nfs/dbraw/zinc/37/61/39/1136376139.db2.gz ARGWCRGQCVMXBW-UHFFFAOYSA-N 1 2 346.377 3.742 20 0 EHADLO CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cc(OC)cc(OC)c1 ZINC000851474224 1136383300 /nfs/dbraw/zinc/38/33/00/1136383300.db2.gz VUJIBUXDFKFXOQ-SUMWQHHRSA-N 1 2 332.400 3.546 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cccc(F)n2)CC1 ZINC000851719710 1136401248 /nfs/dbraw/zinc/40/12/48/1136401248.db2.gz QMJRUKWFDFSHLG-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918943 1136419507 /nfs/dbraw/zinc/41/95/07/1136419507.db2.gz GELIZSRZFLHLLE-ZENOOKHLSA-N 1 2 329.362 3.646 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918943 1136419509 /nfs/dbraw/zinc/41/95/09/1136419509.db2.gz GELIZSRZFLHLLE-ZENOOKHLSA-N 1 2 329.362 3.646 20 0 EHADLO Fc1cccc(-c2c[nH]c([C@H]3CCCC[N@H+]3CCOC(F)F)n2)c1 ZINC000851978483 1136424989 /nfs/dbraw/zinc/42/49/89/1136424989.db2.gz MHJNPWQLMPITJG-OAHLLOKOSA-N 1 2 339.361 3.982 20 0 EHADLO Fc1cccc(-c2c[nH]c([C@H]3CCCC[N@@H+]3CCOC(F)F)n2)c1 ZINC000851978483 1136424991 /nfs/dbraw/zinc/42/49/91/1136424991.db2.gz MHJNPWQLMPITJG-OAHLLOKOSA-N 1 2 339.361 3.982 20 0 EHADLO CCc1oc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1C(=O)OC ZINC000338945265 1136453962 /nfs/dbraw/zinc/45/39/62/1136453962.db2.gz UXUXWICZVLPGEO-UHFFFAOYSA-N 1 2 334.441 3.563 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc2c(c1)CCCO2 ZINC000852783723 1136487103 /nfs/dbraw/zinc/48/71/03/1136487103.db2.gz UCINOFHOTWUMEU-HNNXBMFYSA-N 1 2 349.434 3.836 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cnc(C2CCC2)s1 ZINC000338954641 1136511424 /nfs/dbraw/zinc/51/14/24/1136511424.db2.gz QAJFUPRVJJNDBD-UHFFFAOYSA-N 1 2 349.525 3.610 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cnc(C2CCC2)s1 ZINC000338954641 1136511426 /nfs/dbraw/zinc/51/14/26/1136511426.db2.gz QAJFUPRVJJNDBD-UHFFFAOYSA-N 1 2 349.525 3.610 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)cs2)cc1 ZINC000111110657 1136511730 /nfs/dbraw/zinc/51/17/30/1136511730.db2.gz WNVDETUYMGVTOG-MRXNPFEDSA-N 1 2 348.443 3.677 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3OCCO3)cs2)cc1 ZINC000111110657 1136511732 /nfs/dbraw/zinc/51/17/32/1136511732.db2.gz WNVDETUYMGVTOG-MRXNPFEDSA-N 1 2 348.443 3.677 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000853413358 1136531284 /nfs/dbraw/zinc/53/12/84/1136531284.db2.gz VMEFOUVTODJGIP-UHFFFAOYSA-N 1 2 344.409 3.653 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000853413358 1136531286 /nfs/dbraw/zinc/53/12/86/1136531286.db2.gz VMEFOUVTODJGIP-UHFFFAOYSA-N 1 2 344.409 3.653 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3ccnc(Br)c3)CC2)cc1 ZINC000815010281 1136536926 /nfs/dbraw/zinc/53/69/26/1136536926.db2.gz RLRCDCSTCGDVDE-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3ccnc(Br)c3)CC2)cc1 ZINC000815010281 1136536929 /nfs/dbraw/zinc/53/69/29/1136536929.db2.gz RLRCDCSTCGDVDE-UHFFFAOYSA-N 1 2 345.240 3.839 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000853489115 1136537149 /nfs/dbraw/zinc/53/71/49/1136537149.db2.gz GLTLOQCFJVMSOQ-INIZCTEOSA-N 1 2 334.391 3.777 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000853489115 1136537152 /nfs/dbraw/zinc/53/71/52/1136537152.db2.gz GLTLOQCFJVMSOQ-INIZCTEOSA-N 1 2 334.391 3.777 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815021306 1136538117 /nfs/dbraw/zinc/53/81/17/1136538117.db2.gz NBEQTTODRZNZJU-LJQANCHMSA-N 1 2 347.418 3.784 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815021306 1136538118 /nfs/dbraw/zinc/53/81/18/1136538118.db2.gz NBEQTTODRZNZJU-LJQANCHMSA-N 1 2 347.418 3.784 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccnc(Br)c1 ZINC000815076418 1136547889 /nfs/dbraw/zinc/54/78/89/1136547889.db2.gz FHNFNAKBJRPWAF-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccnc(Br)c1 ZINC000815076418 1136547891 /nfs/dbraw/zinc/54/78/91/1136547891.db2.gz FHNFNAKBJRPWAF-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815078149 1136548253 /nfs/dbraw/zinc/54/82/53/1136548253.db2.gz PKMRKNFSAKYVBF-OAHLLOKOSA-N 1 2 333.428 3.518 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815078149 1136548256 /nfs/dbraw/zinc/54/82/56/1136548256.db2.gz PKMRKNFSAKYVBF-OAHLLOKOSA-N 1 2 333.428 3.518 20 0 EHADLO Cc1nc(NCc2ccnc(Cl)c2)c(Br)c(C)[nH+]1 ZINC000853691777 1136556012 /nfs/dbraw/zinc/55/60/12/1136556012.db2.gz DSYCPYUXZPRICX-UHFFFAOYSA-N 1 2 327.613 3.516 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1)C1CC1 ZINC000815161018 1136558608 /nfs/dbraw/zinc/55/86/08/1136558608.db2.gz VPVFXJLHJZEJJD-UHFFFAOYSA-N 1 2 334.423 3.770 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000815132665 1136559832 /nfs/dbraw/zinc/55/98/32/1136559832.db2.gz HXPWTQOSHOJNJF-UHFFFAOYSA-N 1 2 348.450 3.883 20 0 EHADLO CC[C@@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)Oc1ccccc1C ZINC001137050878 1136577901 /nfs/dbraw/zinc/57/79/01/1136577901.db2.gz WDHJGJMCSIYBDZ-ZWKOTPCHSA-N 1 2 343.471 3.753 20 0 EHADLO COc1ccccc1C1(C(=O)OCc2cc[nH+]c(N)c2)CCCCC1 ZINC000815302996 1136579102 /nfs/dbraw/zinc/57/91/02/1136579102.db2.gz PSTVVCNZHRIFNQ-UHFFFAOYSA-N 1 2 340.423 3.618 20 0 EHADLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000854080786 1136586373 /nfs/dbraw/zinc/58/63/73/1136586373.db2.gz DPARFUSQUFSFKU-UHFFFAOYSA-N 1 2 346.843 3.620 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H]2CCC(C)(C)c3ccccc32)no1 ZINC000854161137 1136593551 /nfs/dbraw/zinc/59/35/51/1136593551.db2.gz MXQMUICODVDUQE-ZBFHGGJFSA-N 1 2 329.444 3.698 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412380 1136614379 /nfs/dbraw/zinc/61/43/79/1136614379.db2.gz ORRQJGVRGSPKTJ-FYWRMAATSA-N 1 2 335.517 3.600 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC001170804085 1136642374 /nfs/dbraw/zinc/64/23/74/1136642374.db2.gz LIXOAROYGGUHPN-ZDUSSCGKSA-N 1 2 331.243 3.704 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC001170804085 1136642375 /nfs/dbraw/zinc/64/23/75/1136642375.db2.gz LIXOAROYGGUHPN-ZDUSSCGKSA-N 1 2 331.243 3.704 20 0 EHADLO COC[C@@H]1CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000112960581 1136665358 /nfs/dbraw/zinc/66/53/58/1136665358.db2.gz JNTCEZVMGAHLMC-GFCCVEGCSA-N 1 2 341.427 3.883 20 0 EHADLO COC[C@@H]1CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000112960581 1136665359 /nfs/dbraw/zinc/66/53/59/1136665359.db2.gz JNTCEZVMGAHLMC-GFCCVEGCSA-N 1 2 341.427 3.883 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2coc3ccccc23)[nH+]1 ZINC000113011625 1136668949 /nfs/dbraw/zinc/66/89/49/1136668949.db2.gz DCAQEGKBRZGVBC-UHFFFAOYSA-N 1 2 339.391 3.942 20 0 EHADLO c1cn(-c2ccc(CNc3cncc(-c4ccccc4)n3)cc2)c[nH+]1 ZINC000776806442 1136686581 /nfs/dbraw/zinc/68/65/81/1136686581.db2.gz RWJDXAJAEWABTL-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001135508415 1136698645 /nfs/dbraw/zinc/69/86/45/1136698645.db2.gz ZJHZIGIYSDAQIS-SFHVURJKSA-N 1 2 330.378 3.958 20 0 EHADLO O=C(Nc1cccc(F)c1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001135508415 1136698647 /nfs/dbraw/zinc/69/86/47/1136698647.db2.gz ZJHZIGIYSDAQIS-SFHVURJKSA-N 1 2 330.378 3.958 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](Cc3ccsc3C)CC2)c(F)c1 ZINC000816482570 1136723821 /nfs/dbraw/zinc/72/38/21/1136723821.db2.gz KUHHYKKCQWWQOQ-UHFFFAOYSA-N 1 2 332.444 3.720 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CCOC[C@@H]3C)ccc21 ZINC001170829280 1136728777 /nfs/dbraw/zinc/72/87/77/1136728777.db2.gz CRTGHSREDBFZLX-HOCLYGCPSA-N 1 2 337.423 3.871 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000816564674 1136737403 /nfs/dbraw/zinc/73/74/03/1136737403.db2.gz MSZCJPJTSVRDBQ-NTEUORMPSA-N 1 2 333.863 3.755 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000816564674 1136737405 /nfs/dbraw/zinc/73/74/05/1136737405.db2.gz MSZCJPJTSVRDBQ-NTEUORMPSA-N 1 2 333.863 3.755 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(O)c1Cl ZINC000816612687 1136741703 /nfs/dbraw/zinc/74/17/03/1136741703.db2.gz VXRGPGDKQJGXFX-AAEUAGOBSA-N 1 2 340.851 3.533 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(O)c1Cl ZINC000816612687 1136741705 /nfs/dbraw/zinc/74/17/05/1136741705.db2.gz VXRGPGDKQJGXFX-AAEUAGOBSA-N 1 2 340.851 3.533 20 0 EHADLO CCOC(=O)[C@H](F)C1C[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000816635882 1136743227 /nfs/dbraw/zinc/74/32/27/1136743227.db2.gz XYEMWIUAERFDEG-OAHLLOKOSA-N 1 2 348.245 3.759 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1OC ZINC000816648313 1136744996 /nfs/dbraw/zinc/74/49/96/1136744996.db2.gz IOMWORXBFYNFLW-WDEREUQCSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@H]2C)cc1OC ZINC000816648313 1136744998 /nfs/dbraw/zinc/74/49/98/1136744998.db2.gz IOMWORXBFYNFLW-WDEREUQCSA-N 1 2 328.250 3.697 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)[NH+]1CCOCC1 ZINC001135686925 1136751643 /nfs/dbraw/zinc/75/16/43/1136751643.db2.gz HXNORBSNWKAXFW-QGZVFWFLSA-N 1 2 338.879 3.724 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)c2=S)n1 ZINC000114445272 1136798442 /nfs/dbraw/zinc/79/84/42/1136798442.db2.gz DZMZFQBKKQGHJW-GOSISDBHSA-N 1 2 343.500 3.657 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@]4(CC=CCC4)C3)c2=S)n1 ZINC000114445272 1136798445 /nfs/dbraw/zinc/79/84/45/1136798445.db2.gz DZMZFQBKKQGHJW-GOSISDBHSA-N 1 2 343.500 3.657 20 0 EHADLO CC1CCC(=CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000114637199 1136815241 /nfs/dbraw/zinc/81/52/41/1136815241.db2.gz QWKXYCJLNGLCIT-UHFFFAOYSA-N 1 2 327.403 3.764 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857040243 1136835612 /nfs/dbraw/zinc/83/56/12/1136835612.db2.gz PUKWGIDCMSLAPH-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857040243 1136835614 /nfs/dbraw/zinc/83/56/14/1136835614.db2.gz PUKWGIDCMSLAPH-UHFFFAOYSA-N 1 2 342.668 3.776 20 0 EHADLO Cc1[nH+]cn(-c2ccc(N[C@@H](c3ccccc3)C(F)(F)F)nn2)c1C ZINC001170881605 1136842393 /nfs/dbraw/zinc/84/23/93/1136842393.db2.gz RBZCEIOYSRDBSN-INIZCTEOSA-N 1 2 347.344 3.995 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000818194878 1136865229 /nfs/dbraw/zinc/86/52/29/1136865229.db2.gz QMDDDQLCLZBTKN-IYBDPMFKSA-N 1 2 328.460 3.690 20 0 EHADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nn(CC)nc1C ZINC000818220879 1136867053 /nfs/dbraw/zinc/86/70/53/1136867053.db2.gz JLMFPVNJIBLBLX-AWEZNQCLSA-N 1 2 347.482 3.518 20 0 EHADLO CN(CC1C[NH+](Cc2ccc(Cl)cc2F)C1)C(=O)OC(C)(C)C ZINC001137656368 1136876362 /nfs/dbraw/zinc/87/63/62/1136876362.db2.gz BBZPRKKAUATEBT-UHFFFAOYSA-N 1 2 342.842 3.778 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)F)ccc1F ZINC000857709378 1136901801 /nfs/dbraw/zinc/90/18/01/1136901801.db2.gz UBAQBCPTXSZMLV-AWEZNQCLSA-N 1 2 339.361 3.805 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512129 1136903554 /nfs/dbraw/zinc/90/35/54/1136903554.db2.gz MGNQYKZMTVNBQB-GXTWGEPZSA-N 1 2 334.514 3.576 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nc(N(C)C)sc1=S ZINC000115512129 1136903557 /nfs/dbraw/zinc/90/35/57/1136903557.db2.gz MGNQYKZMTVNBQB-GXTWGEPZSA-N 1 2 334.514 3.576 20 0 EHADLO CCC(C)(C)[NH2+][C@H](C)C(=O)Oc1cc(Br)ccc1OC ZINC000857738706 1136903894 /nfs/dbraw/zinc/90/38/94/1136903894.db2.gz JYMRPIFTHHNOBZ-SNVBAGLBSA-N 1 2 344.249 3.530 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(C)C)on1 ZINC000339007364 1136909871 /nfs/dbraw/zinc/90/98/71/1136909871.db2.gz JYGWLZBOFIRXLW-QGZVFWFLSA-N 1 2 327.428 3.882 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(C)C)on1 ZINC000339007364 1136909873 /nfs/dbraw/zinc/90/98/73/1136909873.db2.gz JYGWLZBOFIRXLW-QGZVFWFLSA-N 1 2 327.428 3.882 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@H]3CCCc4cn[nH]c43)n2)cc1 ZINC000857872433 1136915885 /nfs/dbraw/zinc/91/58/85/1136915885.db2.gz MQUXFPIFTQHPML-KRWDZBQOSA-N 1 2 338.386 3.903 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+][C@H]3CCCc4c[nH]nc43)n2)cc1 ZINC000857872433 1136915889 /nfs/dbraw/zinc/91/58/89/1136915889.db2.gz MQUXFPIFTQHPML-KRWDZBQOSA-N 1 2 338.386 3.903 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(F)(F)c1cccc(Cl)c1Cl ZINC000857976933 1136927063 /nfs/dbraw/zinc/92/70/63/1136927063.db2.gz OTNUFDYVPZBLAW-JTQLQIEISA-N 1 2 346.164 3.543 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000857984809 1136927185 /nfs/dbraw/zinc/92/71/85/1136927185.db2.gz DXHSECYAWCCFKR-MELADBBJSA-N 1 2 336.222 3.555 20 0 EHADLO CCCCCCOc1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857987138 1136927265 /nfs/dbraw/zinc/92/72/65/1136927265.db2.gz VAMDUUOJUWVGIZ-GOSISDBHSA-N 1 2 341.455 3.646 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000857985154 1136927350 /nfs/dbraw/zinc/92/73/50/1136927350.db2.gz GYJFKFREPVZFPO-OUCADQQQSA-N 1 2 336.222 3.555 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000857985360 1136927503 /nfs/dbraw/zinc/92/75/03/1136927503.db2.gz JBOZIDIQLFJHDL-MRXNPFEDSA-N 1 2 343.858 4.000 20 0 EHADLO CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@@H]3CCn4c[nH+]cc43)cc2C1 ZINC000857990381 1136927754 /nfs/dbraw/zinc/92/77/54/1136927754.db2.gz OOKBPWINNOZSJN-ZIAGYGMSSA-N 1 2 343.496 3.970 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000858012231 1136930259 /nfs/dbraw/zinc/93/02/59/1136930259.db2.gz FHUJQBGHHAPDBI-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000858012231 1136930261 /nfs/dbraw/zinc/93/02/61/1136930261.db2.gz FHUJQBGHHAPDBI-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO CN(C)c1c(C[NH2+]Cc2c(F)cc(F)cc2F)ccc(F)c1F ZINC000858167625 1136945929 /nfs/dbraw/zinc/94/59/29/1136945929.db2.gz GDKGWTKKOITXDL-UHFFFAOYSA-N 1 2 330.300 3.738 20 0 EHADLO CN(C)[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1c[nH+]cn1C ZINC001136236445 1136952129 /nfs/dbraw/zinc/95/21/29/1136952129.db2.gz WQPKJRGNTGWDAB-IBGZPJMESA-N 1 2 348.406 3.561 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H](C)c2cccc(F)c2)c1C ZINC000116008880 1136957059 /nfs/dbraw/zinc/95/70/59/1136957059.db2.gz FBUWFWRRDMWTFH-GFCCVEGCSA-N 1 2 330.403 3.656 20 0 EHADLO CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccc(Cl)s1 ZINC000858582404 1136980564 /nfs/dbraw/zinc/98/05/64/1136980564.db2.gz WERFYWDDWIMYFE-NSHDSACASA-N 1 2 349.891 3.699 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC[C@H]2CCCC2(C)C)C1 ZINC000858648741 1136983969 /nfs/dbraw/zinc/98/39/69/1136983969.db2.gz RWNLPHDHTXSDPK-JKSUJKDBSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858727850 1136989251 /nfs/dbraw/zinc/98/92/51/1136989251.db2.gz QTCNIGVHXBAYBB-SQNIBIBYSA-N 1 2 343.446 3.747 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)c1 ZINC000266016636 1136994072 /nfs/dbraw/zinc/99/40/72/1136994072.db2.gz AULPOTPBBOWRFI-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO C[N@H+](CCc1nccs1)Cc1nc(Cl)ccc1Br ZINC000820867034 1137007195 /nfs/dbraw/zinc/00/71/95/1137007195.db2.gz GUAYQCUSPXSGBU-UHFFFAOYSA-N 1 2 346.681 3.629 20 0 EHADLO C[N@@H+](CCc1nccs1)Cc1nc(Cl)ccc1Br ZINC000820867034 1137007197 /nfs/dbraw/zinc/00/71/97/1137007197.db2.gz GUAYQCUSPXSGBU-UHFFFAOYSA-N 1 2 346.681 3.629 20 0 EHADLO CC[C@@H](C)CCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001136385717 1137008668 /nfs/dbraw/zinc/00/86/68/1137008668.db2.gz FNLVLZYRESIURM-GOSISDBHSA-N 1 2 345.531 3.979 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCCCc1ccccc1 ZINC001136394110 1137010844 /nfs/dbraw/zinc/01/08/44/1137010844.db2.gz GHSSNGHDLCEMRA-SFHVURJKSA-N 1 2 327.472 3.827 20 0 EHADLO CC1CCC(N(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C2CC2)CC1 ZINC001136430385 1137020344 /nfs/dbraw/zinc/02/03/44/1137020344.db2.gz OQCGXECMYHPTNW-UHFFFAOYSA-N 1 2 339.439 3.761 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nc(Cl)ccc2Br)cc1 ZINC000821221652 1137020719 /nfs/dbraw/zinc/02/07/19/1137020719.db2.gz WNRFNNFDUSPJFS-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)cc1 ZINC001136469281 1137032043 /nfs/dbraw/zinc/03/20/43/1137032043.db2.gz WREBPWVBYSMEHP-INIZCTEOSA-N 1 2 347.418 3.901 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)[C@H]2CCC[C@@H]21 ZINC000859955300 1137038684 /nfs/dbraw/zinc/03/86/84/1137038684.db2.gz UDWXKZBVKBQCAO-UPJWGTAASA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)[C@H]2CCC[C@@H]21 ZINC000859955300 1137038686 /nfs/dbraw/zinc/03/86/86/1137038686.db2.gz UDWXKZBVKBQCAO-UPJWGTAASA-N 1 2 343.254 3.552 20 0 EHADLO COC[C@H](C)[N@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000860115152 1137045253 /nfs/dbraw/zinc/04/52/53/1137045253.db2.gz VDXSRIKZPHWANI-XJKSGUPXSA-N 1 2 333.863 3.598 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000860115152 1137045254 /nfs/dbraw/zinc/04/52/54/1137045254.db2.gz VDXSRIKZPHWANI-XJKSGUPXSA-N 1 2 333.863 3.598 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](c2c(F)cccc2F)C1)n1cc[nH+]c1 ZINC000822012525 1137047094 /nfs/dbraw/zinc/04/70/94/1137047094.db2.gz SVDFOYDGOAKVNW-RHSMWYFYSA-N 1 2 347.409 3.765 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001136581280 1137056947 /nfs/dbraw/zinc/05/69/47/1137056947.db2.gz PZFHFUONJNEKQQ-HZSPNIEDSA-N 1 2 343.393 3.875 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3sccc3Cl)[C@@H]2C1 ZINC000822508480 1137063582 /nfs/dbraw/zinc/06/35/82/1137063582.db2.gz WBUNTEBCURYXCR-DGCLKSJQSA-N 1 2 342.892 3.843 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3sccc3Cl)[C@@H]2C1 ZINC000822508480 1137063583 /nfs/dbraw/zinc/06/35/83/1137063583.db2.gz WBUNTEBCURYXCR-DGCLKSJQSA-N 1 2 342.892 3.843 20 0 EHADLO Cn1c(Cl)cnc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000822579293 1137065885 /nfs/dbraw/zinc/06/58/85/1137065885.db2.gz XHWGLAMLIAYDOG-UHFFFAOYSA-N 1 2 333.863 3.624 20 0 EHADLO Cc1cn2cc(NC(=O)N3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)ccc2[nH+]1 ZINC000860582742 1137067459 /nfs/dbraw/zinc/06/74/59/1137067459.db2.gz UCKLGLYTRXCUJW-YTQUADARSA-N 1 2 346.434 3.910 20 0 EHADLO COC(=O)Nc1cccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1C ZINC000822640683 1137067689 /nfs/dbraw/zinc/06/76/89/1137067689.db2.gz GOWRERKOHNYYAT-MRXNPFEDSA-N 1 2 344.415 3.596 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1C ZINC000822888134 1137077483 /nfs/dbraw/zinc/07/74/83/1137077483.db2.gz PIINIVDWRNPCQR-QZTJIDSGSA-N 1 2 338.451 3.907 20 0 EHADLO C/C(=C/c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1cccc(F)c1 ZINC000823394038 1137097872 /nfs/dbraw/zinc/09/78/72/1137097872.db2.gz SKUWBPGBUCGNOU-MSKHEQNASA-N 1 2 347.390 3.501 20 0 EHADLO CC(C)c1ccccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000823439855 1137099725 /nfs/dbraw/zinc/09/97/25/1137099725.db2.gz VKBVKGYLSSLAQS-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO CC[N@H+](CCS(=O)(=O)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000118395030 1137113484 /nfs/dbraw/zinc/11/34/84/1137113484.db2.gz GDVOEQIVWWSNHN-LBPRGKRZSA-N 1 2 337.407 3.523 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000118395030 1137113485 /nfs/dbraw/zinc/11/34/85/1137113485.db2.gz GDVOEQIVWWSNHN-LBPRGKRZSA-N 1 2 337.407 3.523 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccnc(Cl)c2F)cc1OC ZINC000823866104 1137117012 /nfs/dbraw/zinc/11/70/12/1137117012.db2.gz CPHXOWWHJVASMR-VIFPVBQESA-N 1 2 342.773 3.881 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccnc(Cl)c2F)cc1OC ZINC000823866103 1137117020 /nfs/dbraw/zinc/11/70/20/1137117020.db2.gz CPHXOWWHJVASMR-SECBINFHSA-N 1 2 342.773 3.881 20 0 EHADLO CC[C@](C)(NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001136810564 1137122350 /nfs/dbraw/zinc/12/23/50/1137122350.db2.gz GFTRTZCMZOFSCY-NRFANRHFSA-N 1 2 333.435 3.856 20 0 EHADLO O=C(N[C@H]1C[C@@H]1Cc1ccccc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136833782 1137126638 /nfs/dbraw/zinc/12/66/38/1137126638.db2.gz BPKPJSSHIZJWDG-HAGHYFMRSA-N 1 2 349.478 3.800 20 0 EHADLO Clc1cccc2[nH]c(C[NH+]3CCN(c4cccnc4)CC3)cc21 ZINC001136858040 1137132866 /nfs/dbraw/zinc/13/28/66/1137132866.db2.gz KXGJHEGYCGDSSA-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2Br)[C@@H](c2ccco2)C1 ZINC000862249842 1137135244 /nfs/dbraw/zinc/13/52/44/1137135244.db2.gz DUOBKXLNGXARGP-DGCLKSJQSA-N 1 2 338.249 3.749 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2Br)[C@@H](c2ccco2)C1 ZINC000862249842 1137135246 /nfs/dbraw/zinc/13/52/46/1137135246.db2.gz DUOBKXLNGXARGP-DGCLKSJQSA-N 1 2 338.249 3.749 20 0 EHADLO c1cc2c(cccc2N2CC[NH+](Cc3cn4ccccc4n3)CC2)s1 ZINC001136882734 1137139361 /nfs/dbraw/zinc/13/93/61/1137139361.db2.gz CLZXANOWGNRARK-UHFFFAOYSA-N 1 2 348.475 3.871 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC001136891266 1137141464 /nfs/dbraw/zinc/14/14/64/1137141464.db2.gz LYCBWHMRIWXOCM-OAQYLSRUSA-N 1 2 335.451 3.699 20 0 EHADLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC001136891266 1137141465 /nfs/dbraw/zinc/14/14/65/1137141465.db2.gz LYCBWHMRIWXOCM-OAQYLSRUSA-N 1 2 335.451 3.699 20 0 EHADLO C[C@H](O)c1ncc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC000862529065 1137148057 /nfs/dbraw/zinc/14/80/57/1137148057.db2.gz AGWWMUJEGSFUJU-JTQLQIEISA-N 1 2 342.386 3.774 20 0 EHADLO C[C@H](O)c1ncc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC000862529065 1137148058 /nfs/dbraw/zinc/14/80/58/1137148058.db2.gz AGWWMUJEGSFUJU-JTQLQIEISA-N 1 2 342.386 3.774 20 0 EHADLO COc1cccc([C@@H](O)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)c1 ZINC000862543060 1137149028 /nfs/dbraw/zinc/14/90/28/1137149028.db2.gz CGZDGLVUSZYIFL-IBGZPJMESA-N 1 2 342.439 3.506 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ncc(C(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC000862540580 1137149100 /nfs/dbraw/zinc/14/91/00/1137149100.db2.gz GRJHMSFJDZHQAY-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ncc(C(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC000862540580 1137149101 /nfs/dbraw/zinc/14/91/01/1137149101.db2.gz GRJHMSFJDZHQAY-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136974504 1137159486 /nfs/dbraw/zinc/15/94/86/1137159486.db2.gz AMLKZTVVARIULA-FQEVSTJZSA-N 1 2 334.419 3.576 20 0 EHADLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136974504 1137159487 /nfs/dbraw/zinc/15/94/87/1137159487.db2.gz AMLKZTVVARIULA-FQEVSTJZSA-N 1 2 334.419 3.576 20 0 EHADLO Cc1cc(NCCNC(=O)CCCc2ccsc2)nc(C(C)C)[nH+]1 ZINC000862860551 1137161597 /nfs/dbraw/zinc/16/15/97/1137161597.db2.gz FTHAVWYPPKVQRZ-UHFFFAOYSA-N 1 2 346.500 3.521 20 0 EHADLO CN(C)CC[N@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1 ZINC001136976587 1137161661 /nfs/dbraw/zinc/16/16/61/1137161661.db2.gz HCRRXYGIXGXLDL-UHFFFAOYSA-N 1 2 325.431 3.871 20 0 EHADLO CN(C)CC[N@@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1 ZINC001136976587 1137161662 /nfs/dbraw/zinc/16/16/62/1137161662.db2.gz HCRRXYGIXGXLDL-UHFFFAOYSA-N 1 2 325.431 3.871 20 0 EHADLO Fc1cccc2[nH]cc(C[NH+]3CCN(c4ncccc4Cl)CC3)c21 ZINC001136985800 1137164668 /nfs/dbraw/zinc/16/46/68/1137164668.db2.gz WEJITPCRRZCYMG-UHFFFAOYSA-N 1 2 344.821 3.678 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000863254212 1137177942 /nfs/dbraw/zinc/17/79/42/1137177942.db2.gz AGTQFNWCIPVKNK-IAGOWNOFSA-N 1 2 337.467 3.697 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341068 1137181808 /nfs/dbraw/zinc/18/18/08/1137181808.db2.gz PFYJJLUDJSENEZ-FOSCPCJNSA-N 1 2 331.485 3.711 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341068 1137181810 /nfs/dbraw/zinc/18/18/10/1137181810.db2.gz PFYJJLUDJSENEZ-FOSCPCJNSA-N 1 2 331.485 3.711 20 0 EHADLO CCCOC1CC[NH+](Cc2cc(Br)c(C)cn2)CC1 ZINC001143661466 1137187252 /nfs/dbraw/zinc/18/72/52/1137187252.db2.gz ZZUOVYFAVQAFKC-UHFFFAOYSA-N 1 2 327.266 3.544 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143698851 1137190619 /nfs/dbraw/zinc/19/06/19/1137190619.db2.gz MGJPVLZSVVNKHS-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@@]1(C)O ZINC001143698851 1137190621 /nfs/dbraw/zinc/19/06/21/1137190621.db2.gz MGJPVLZSVVNKHS-QMTHXVAHSA-N 1 2 337.769 3.831 20 0 EHADLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cc(Cl)cc1Cl ZINC001143798555 1137200550 /nfs/dbraw/zinc/20/05/50/1137200550.db2.gz SXUWYOKOBGOOGK-ZIAGYGMSSA-N 1 2 347.673 3.842 20 0 EHADLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cc(Cl)cc1Cl ZINC001143798555 1137200551 /nfs/dbraw/zinc/20/05/51/1137200551.db2.gz SXUWYOKOBGOOGK-ZIAGYGMSSA-N 1 2 347.673 3.842 20 0 EHADLO COc1c(F)cc(C[NH+]2CCC(c3nc(C)no3)CC2)cc1Cl ZINC001143848094 1137205441 /nfs/dbraw/zinc/20/54/41/1137205441.db2.gz MMUHURYAOZGOEW-UHFFFAOYSA-N 1 2 339.798 3.559 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143854912 1137206189 /nfs/dbraw/zinc/20/61/89/1137206189.db2.gz NAGTWUSIUWLNFJ-NXEZZACHSA-N 1 2 334.218 3.906 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143854912 1137206191 /nfs/dbraw/zinc/20/61/91/1137206191.db2.gz NAGTWUSIUWLNFJ-NXEZZACHSA-N 1 2 334.218 3.906 20 0 EHADLO Cc1ccn(C(=O)C[C@H](C)n2cc[nH+]c2)c(=NC2CCCCC2)c1 ZINC000844311010 1137208660 /nfs/dbraw/zinc/20/86/60/1137208660.db2.gz XUYWYRDTSCRJBX-INIZCTEOSA-N 1 2 326.444 3.518 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1F ZINC001143903375 1137211654 /nfs/dbraw/zinc/21/16/54/1137211654.db2.gz VVWYSMCLOOTBFD-CYBMUJFWSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1F ZINC001143903375 1137211655 /nfs/dbraw/zinc/21/16/55/1137211655.db2.gz VVWYSMCLOOTBFD-CYBMUJFWSA-N 1 2 335.806 3.923 20 0 EHADLO COc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(F)c1F ZINC001143915596 1137214671 /nfs/dbraw/zinc/21/46/71/1137214671.db2.gz KMXXXBYWMAPEKA-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO COc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c(F)c1F ZINC001143915596 1137214673 /nfs/dbraw/zinc/21/46/73/1137214673.db2.gz KMXXXBYWMAPEKA-UHFFFAOYSA-N 1 2 325.380 3.740 20 0 EHADLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143958510 1137218922 /nfs/dbraw/zinc/21/89/22/1137218922.db2.gz FVQCPPXPMMUORI-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143958510 1137218923 /nfs/dbraw/zinc/21/89/23/1137218923.db2.gz FVQCPPXPMMUORI-SNVBAGLBSA-N 1 2 341.789 3.943 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000844414378 1137219006 /nfs/dbraw/zinc/21/90/06/1137219006.db2.gz GLCNMYUJOIGQEU-WDEREUQCSA-N 1 2 342.317 3.879 20 0 EHADLO COc1ccc(F)c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c1F ZINC001143969499 1137220169 /nfs/dbraw/zinc/22/01/69/1137220169.db2.gz DCDIOZROASICRE-UHFFFAOYSA-N 1 2 347.405 3.543 20 0 EHADLO CC[C@@H]1[N@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@]12CCC(=O)N2 ZINC001143954790 1137220513 /nfs/dbraw/zinc/22/05/13/1137220513.db2.gz MMDQPXLDAYHFOW-YOEHRIQHSA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@@H]1[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@]12CCC(=O)N2 ZINC001143954790 1137220514 /nfs/dbraw/zinc/22/05/14/1137220514.db2.gz MMDQPXLDAYHFOW-YOEHRIQHSA-N 1 2 342.817 3.641 20 0 EHADLO CCC[NH+](CCC)Cn1nc(C)n(-c2ccc(OC)cc2)c1=S ZINC000794617372 1137221100 /nfs/dbraw/zinc/22/11/00/1137221100.db2.gz RSAZSBPYMGNWHA-UHFFFAOYSA-N 1 2 334.489 3.800 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001143976744 1137222793 /nfs/dbraw/zinc/22/27/93/1137222793.db2.gz LSMSEQZRJRRIQJ-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001143976744 1137222794 /nfs/dbraw/zinc/22/27/94/1137222794.db2.gz LSMSEQZRJRRIQJ-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000844470342 1137226785 /nfs/dbraw/zinc/22/67/85/1137226785.db2.gz BWYVWTSVOLWYBW-LSDHHAIUSA-N 1 2 333.428 3.518 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000844470342 1137226786 /nfs/dbraw/zinc/22/67/86/1137226786.db2.gz BWYVWTSVOLWYBW-LSDHHAIUSA-N 1 2 333.428 3.518 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1F ZINC001144026313 1137230251 /nfs/dbraw/zinc/23/02/51/1137230251.db2.gz PCUQDCQQSHKEAQ-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000794688525 1137232315 /nfs/dbraw/zinc/23/23/15/1137232315.db2.gz OBZCOKPYDQFOFI-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000794688525 1137232316 /nfs/dbraw/zinc/23/23/16/1137232316.db2.gz OBZCOKPYDQFOFI-UHFFFAOYSA-N 1 2 330.501 3.850 20 0 EHADLO OC[C@H]1CCC[N@@H+]1Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144039172 1137233120 /nfs/dbraw/zinc/23/31/20/1137233120.db2.gz RDFLVAUKOQXAKB-MRVPVSSYSA-N 1 2 328.161 3.969 20 0 EHADLO OC[C@H]1CCC[N@H+]1Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001144039172 1137233122 /nfs/dbraw/zinc/23/31/22/1137233122.db2.gz RDFLVAUKOQXAKB-MRVPVSSYSA-N 1 2 328.161 3.969 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844692949 1137244908 /nfs/dbraw/zinc/24/49/08/1137244908.db2.gz OFRCDGFTCRKGGR-LLVKDONJSA-N 1 2 325.865 3.561 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844692949 1137244906 /nfs/dbraw/zinc/24/49/06/1137244906.db2.gz OFRCDGFTCRKGGR-LLVKDONJSA-N 1 2 325.865 3.561 20 0 EHADLO CCOc1cc(CNc2cc(COC)cc[nH+]2)ccc1OC(=O)CC ZINC000844708124 1137247193 /nfs/dbraw/zinc/24/71/93/1137247193.db2.gz ISMHGPCCELMMJA-UHFFFAOYSA-N 1 2 344.411 3.554 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnn(CC2CCCC2)c1 ZINC000864810970 1137247360 /nfs/dbraw/zinc/24/73/60/1137247360.db2.gz MQMPAKIRRLEXLF-UHFFFAOYSA-N 1 2 335.411 3.511 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c(=O)scc2C(F)(F)F)CCc2ccccc21 ZINC000844739920 1137248888 /nfs/dbraw/zinc/24/88/88/1137248888.db2.gz DVPYSAGDPZYJCB-LLVKDONJSA-N 1 2 342.386 3.548 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c(=O)scc2C(F)(F)F)CCc2ccccc21 ZINC000844739920 1137248890 /nfs/dbraw/zinc/24/88/90/1137248890.db2.gz DVPYSAGDPZYJCB-LLVKDONJSA-N 1 2 342.386 3.548 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(C3CC3)n(C)c2=S)CCc2ccc(F)cc21 ZINC000844759374 1137250201 /nfs/dbraw/zinc/25/02/01/1137250201.db2.gz LROVANPQFVIXSS-LBPRGKRZSA-N 1 2 346.475 3.587 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(C3CC3)n(C)c2=S)CCc2ccc(F)cc21 ZINC000844759374 1137250203 /nfs/dbraw/zinc/25/02/03/1137250203.db2.gz LROVANPQFVIXSS-LBPRGKRZSA-N 1 2 346.475 3.587 20 0 EHADLO Cc1cc(Br)cc(C[N@H+]2CCN(C)c3ncccc3C2)c1 ZINC001144216663 1137252688 /nfs/dbraw/zinc/25/26/88/1137252688.db2.gz PGXKFAACWFXFLQ-UHFFFAOYSA-N 1 2 346.272 3.605 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+]2CCN(C)c3ncccc3C2)c1 ZINC001144216663 1137252689 /nfs/dbraw/zinc/25/26/89/1137252689.db2.gz PGXKFAACWFXFLQ-UHFFFAOYSA-N 1 2 346.272 3.605 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2cccc(O)c21 ZINC000864985679 1137256483 /nfs/dbraw/zinc/25/64/83/1137256483.db2.gz NXUSCQNGMDWNQB-KRWDZBQOSA-N 1 2 337.423 3.587 20 0 EHADLO CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1F ZINC000844935957 1137263968 /nfs/dbraw/zinc/26/39/68/1137263968.db2.gz LMYVVMDWACQRDC-INIZCTEOSA-N 1 2 345.418 3.797 20 0 EHADLO Cc1nc(C[N@@H+](C)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)no1 ZINC001171156271 1137266855 /nfs/dbraw/zinc/26/68/55/1137266855.db2.gz BHHSZTBQHTZQKV-LBPRGKRZSA-N 1 2 326.227 3.674 20 0 EHADLO Cc1nc(C[N@H+](C)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)no1 ZINC001171156271 1137266856 /nfs/dbraw/zinc/26/68/56/1137266856.db2.gz BHHSZTBQHTZQKV-LBPRGKRZSA-N 1 2 326.227 3.674 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1nnc2n1CCCCC2 ZINC000865410248 1137280890 /nfs/dbraw/zinc/28/08/90/1137280890.db2.gz NSNKWCURTDNVPR-CYBMUJFWSA-N 1 2 339.418 3.543 20 0 EHADLO CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279331 1137283344 /nfs/dbraw/zinc/28/33/44/1137283344.db2.gz ZTRXBHJEEUHIHM-CABCVRRESA-N 1 2 343.427 3.528 20 0 EHADLO Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC000845277410 1137283376 /nfs/dbraw/zinc/28/33/76/1137283376.db2.gz HBLYIQJNXJITEO-HZPDHXFCSA-N 1 2 328.412 3.574 20 0 EHADLO Cc1ccc(-c2cnc(COC(=O)C[C@H](C)n3cc[nH+]c3)o2)cc1 ZINC000845282571 1137283654 /nfs/dbraw/zinc/28/36/54/1137283654.db2.gz PTNYZTUIMOIWHW-AWEZNQCLSA-N 1 2 325.368 3.541 20 0 EHADLO Cc1ccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)c(Br)c1 ZINC000845284304 1137283715 /nfs/dbraw/zinc/28/37/15/1137283715.db2.gz ASGUQHKDTYDQRU-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO CCN(C)c1ccccc1C[NH2+]Cc1nccc(C)c1Br ZINC000865457556 1137285486 /nfs/dbraw/zinc/28/54/86/1137285486.db2.gz WQAXBJLHDJEVBX-UHFFFAOYSA-N 1 2 348.288 3.898 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144416862 1137288200 /nfs/dbraw/zinc/28/82/00/1137288200.db2.gz VOQCCBIRIKFLHN-UHFFFAOYSA-N 1 2 341.798 3.519 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144416862 1137288201 /nfs/dbraw/zinc/28/82/01/1137288201.db2.gz VOQCCBIRIKFLHN-UHFFFAOYSA-N 1 2 341.798 3.519 20 0 EHADLO CC(C)c1cnc(C[NH2+]Cc2ccc(Br)cn2)s1 ZINC000865811336 1137313784 /nfs/dbraw/zinc/31/37/84/1137313784.db2.gz QAVSCWCFQSSMQM-UHFFFAOYSA-N 1 2 326.263 3.714 20 0 EHADLO COC(=O)c1cnc(NCc2cc(C)[nH+]c(C)c2)c(C(F)(F)F)c1 ZINC000865883694 1137318745 /nfs/dbraw/zinc/31/87/45/1137318745.db2.gz QMBGGZGMQNDHGR-UHFFFAOYSA-N 1 2 339.317 3.511 20 0 EHADLO COCOc1ccc(OC)cc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000120811129 1137320985 /nfs/dbraw/zinc/32/09/85/1137320985.db2.gz RSMCZVMFWQCKET-UHFFFAOYSA-N 1 2 330.428 3.664 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H](c2ccsc2)O1 ZINC000120860934 1137324570 /nfs/dbraw/zinc/32/45/70/1137324570.db2.gz QWAJHVMOTFTVPC-OAUYIBNBSA-N 1 2 337.872 3.897 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H](c2ccsc2)O1 ZINC000120860934 1137324573 /nfs/dbraw/zinc/32/45/73/1137324573.db2.gz QWAJHVMOTFTVPC-OAUYIBNBSA-N 1 2 337.872 3.897 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc1F ZINC001144667703 1137324854 /nfs/dbraw/zinc/32/48/54/1137324854.db2.gz YYDKAQHEMYLPOA-AWEZNQCLSA-N 1 2 336.407 3.822 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc1F ZINC001144667703 1137324856 /nfs/dbraw/zinc/32/48/56/1137324856.db2.gz YYDKAQHEMYLPOA-AWEZNQCLSA-N 1 2 336.407 3.822 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794893252 1137325744 /nfs/dbraw/zinc/32/57/44/1137325744.db2.gz VVVVYAXSLUIWPC-GOSISDBHSA-N 1 2 348.491 3.893 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794893252 1137325747 /nfs/dbraw/zinc/32/57/47/1137325747.db2.gz VVVVYAXSLUIWPC-GOSISDBHSA-N 1 2 348.491 3.893 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000846019993 1137326725 /nfs/dbraw/zinc/32/67/25/1137326725.db2.gz ZEYYGRIERYQLAO-HIFRSBDPSA-N 1 2 331.847 3.583 20 0 EHADLO CC(=O)c1c(F)cccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866089232 1137328848 /nfs/dbraw/zinc/32/88/48/1137328848.db2.gz DSNOPNXAVYYLCD-UHFFFAOYSA-N 1 2 345.443 3.589 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 ZINC000866179482 1137333612 /nfs/dbraw/zinc/33/36/12/1137333612.db2.gz BGBFOMZEJJUOCW-ZACQAIPSSA-N 1 2 325.456 3.502 20 0 EHADLO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000866374283 1137350494 /nfs/dbraw/zinc/35/04/94/1137350494.db2.gz BKWMZAFIHDDFOB-ZDUSSCGKSA-N 1 2 325.309 3.802 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001144833267 1137352718 /nfs/dbraw/zinc/35/27/18/1137352718.db2.gz NPSZWHNAMRHJAX-JXFKEZNVSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001144833267 1137352720 /nfs/dbraw/zinc/35/27/20/1137352720.db2.gz NPSZWHNAMRHJAX-JXFKEZNVSA-N 1 2 349.434 3.525 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000846480563 1137353359 /nfs/dbraw/zinc/35/33/59/1137353359.db2.gz CCXGMFCOCYIHRI-INIZCTEOSA-N 1 2 340.471 3.711 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000846481843 1137353538 /nfs/dbraw/zinc/35/35/38/1137353538.db2.gz OFEMSLRMGHWEEE-UHFFFAOYSA-N 1 2 328.460 3.618 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)on1 ZINC000866514253 1137360517 /nfs/dbraw/zinc/36/05/17/1137360517.db2.gz IMCRPMCZDOCCBC-CYBMUJFWSA-N 1 2 340.379 3.962 20 0 EHADLO Cc1cc(N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000772950872 1137363643 /nfs/dbraw/zinc/36/36/43/1137363643.db2.gz SAJHQMHCDYYMAU-GOSISDBHSA-N 1 2 343.446 3.998 20 0 EHADLO Cc1ccc2[nH]c(-c3ccccc3NC(=O)[C@H](C)n3cc[nH+]c3)nc2c1 ZINC001144934909 1137364058 /nfs/dbraw/zinc/36/40/58/1137364058.db2.gz UYYFRXDAMLDJBB-AWEZNQCLSA-N 1 2 345.406 3.935 20 0 EHADLO Cc1ccc2nc(-c3ccccc3NC(=O)[C@H](C)n3cc[nH+]c3)[nH]c2c1 ZINC001144934909 1137364060 /nfs/dbraw/zinc/36/40/60/1137364060.db2.gz UYYFRXDAMLDJBB-AWEZNQCLSA-N 1 2 345.406 3.935 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nn(C)cc1C(F)F ZINC000866563653 1137364884 /nfs/dbraw/zinc/36/48/84/1137364884.db2.gz PFKZJJZJSXDGCT-SECBINFHSA-N 1 2 329.778 3.871 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cn1 ZINC000846777213 1137364928 /nfs/dbraw/zinc/36/49/28/1137364928.db2.gz MFMFDUGWTXOYSH-UHFFFAOYSA-N 1 2 339.399 3.917 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000866581455 1137366635 /nfs/dbraw/zinc/36/66/35/1137366635.db2.gz ILNAXTILXAGBNR-GPMSIDNRSA-N 1 2 343.446 3.701 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2cnsn2)C(C)C)cc1OCC ZINC000846839182 1137370968 /nfs/dbraw/zinc/37/09/68/1137370968.db2.gz FBWUZQXPOXOOFX-KRWDZBQOSA-N 1 2 335.473 3.822 20 0 EHADLO CC(=O)C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000846948327 1137378313 /nfs/dbraw/zinc/37/83/13/1137378313.db2.gz PCUOLAIZLNCLDO-UHFFFAOYSA-N 1 2 336.435 3.593 20 0 EHADLO CC[N@H+](CC(=O)N1CCS[C@H](C)[C@H]1C)Cc1ccccc1Cl ZINC001146701283 1137393023 /nfs/dbraw/zinc/39/30/23/1137393023.db2.gz YYMZSQPKPXQMDL-ZIAGYGMSSA-N 1 2 340.920 3.514 20 0 EHADLO CC[N@@H+](CC(=O)N1CCS[C@H](C)[C@H]1C)Cc1ccccc1Cl ZINC001146701283 1137393025 /nfs/dbraw/zinc/39/30/25/1137393025.db2.gz YYMZSQPKPXQMDL-ZIAGYGMSSA-N 1 2 340.920 3.514 20 0 EHADLO CC[C@@](C)(NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1ccccc1 ZINC001146926873 1137397375 /nfs/dbraw/zinc/39/73/75/1137397375.db2.gz RUUFBJULHOEITJ-HXUWFJFHSA-N 1 2 335.407 3.633 20 0 EHADLO CC(C)[C@@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000868520136 1137412930 /nfs/dbraw/zinc/41/29/30/1137412930.db2.gz NURZZFJYXCXHLG-AEFFLSMTSA-N 1 2 344.503 3.588 20 0 EHADLO Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC001147837623 1137413257 /nfs/dbraw/zinc/41/32/57/1137413257.db2.gz JETFLDSOOFJJCC-UHFFFAOYSA-N 1 2 337.345 3.641 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000869108522 1137437134 /nfs/dbraw/zinc/43/71/34/1137437134.db2.gz QKHSSCLIFICYNS-SJLPKXTDSA-N 1 2 339.439 3.559 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000869108522 1137437136 /nfs/dbraw/zinc/43/71/36/1137437136.db2.gz QKHSSCLIFICYNS-SJLPKXTDSA-N 1 2 339.439 3.559 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccc(-c2ccc(O)cc2)cc1 ZINC001148884196 1137437895 /nfs/dbraw/zinc/43/78/95/1137437895.db2.gz OTTXZXIQGGZZPA-UHFFFAOYSA-N 1 2 347.418 3.911 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)C(=O)OCc1ccccc1 ZINC001171341425 1137439086 /nfs/dbraw/zinc/43/90/86/1137439086.db2.gz OYBFBUMEZOONAJ-GUYCJALGSA-N 1 2 345.389 3.544 20 0 EHADLO CC(C)(C)Oc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000348120484 1137442833 /nfs/dbraw/zinc/44/28/33/1137442833.db2.gz DIRMVAKGIOAQSJ-UHFFFAOYSA-N 1 2 341.459 3.651 20 0 EHADLO CC(C)(C)Oc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000348120484 1137442835 /nfs/dbraw/zinc/44/28/35/1137442835.db2.gz DIRMVAKGIOAQSJ-UHFFFAOYSA-N 1 2 341.459 3.651 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000348126913 1137443628 /nfs/dbraw/zinc/44/36/28/1137443628.db2.gz QPOPWLIUNLHRIC-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2cc(Br)cc3cccnc32)n1 ZINC000348108379 1137445610 /nfs/dbraw/zinc/44/56/10/1137445610.db2.gz JKWBEONLZGOZDN-VIFPVBQESA-N 1 2 347.216 3.540 20 0 EHADLO O=C(CCc1cnc2ccccc2c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000348147932 1137446004 /nfs/dbraw/zinc/44/60/04/1137446004.db2.gz QRPAVHKKNMXJHH-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO COCC[C@H]1CCC[C@@H]1[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282786388 1137451317 /nfs/dbraw/zinc/45/13/17/1137451317.db2.gz PWIXDWSXEMEQLY-YZLZLFLDSA-N 1 2 332.488 3.917 20 0 EHADLO CCc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)sc1C ZINC000348208506 1137455323 /nfs/dbraw/zinc/45/53/23/1137455323.db2.gz IFCPGICSGZISTP-UHFFFAOYSA-N 1 2 343.427 3.874 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1Br ZINC000773086429 1137464534 /nfs/dbraw/zinc/46/45/34/1137464534.db2.gz IXVQBDFAYJRBJZ-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+]Cc2ncc(Br)s2)s1 ZINC000714937194 1137474420 /nfs/dbraw/zinc/47/44/20/1137474420.db2.gz PXONFNMJUKDQJS-UHFFFAOYSA-N 1 2 346.319 3.949 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1CCOCc1ccccc1 ZINC001171480349 1137493508 /nfs/dbraw/zinc/49/35/08/1137493508.db2.gz QODRSUXIZXJAFG-OXJNMPFZSA-N 1 2 329.415 3.804 20 0 EHADLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1CCOCc1ccccc1 ZINC001171480349 1137493510 /nfs/dbraw/zinc/49/35/10/1137493510.db2.gz QODRSUXIZXJAFG-OXJNMPFZSA-N 1 2 329.415 3.804 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001171974400 1137524613 /nfs/dbraw/zinc/52/46/13/1137524613.db2.gz TYLNBASEYOWHRK-GXFFZTMASA-N 1 2 341.295 3.900 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001171974400 1137524614 /nfs/dbraw/zinc/52/46/14/1137524614.db2.gz TYLNBASEYOWHRK-GXFFZTMASA-N 1 2 341.295 3.900 20 0 EHADLO Cc1cccc2c(C)cc(N3CCN(C(=O)C(C)(C)C)CC3)[nH+]c12 ZINC000170490022 1137528929 /nfs/dbraw/zinc/52/89/29/1137528929.db2.gz YYOJAHOXGGORRU-UHFFFAOYSA-N 1 2 325.456 3.546 20 0 EHADLO C[C@H](OC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1)c1ccc(Cl)cc1 ZINC000871989545 1137564141 /nfs/dbraw/zinc/56/41/41/1137564141.db2.gz OKMGKPMCPZJBSO-BBRMVZONSA-N 1 2 336.863 3.973 20 0 EHADLO C/C=C\c1ccc(OC[C@@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871990133 1137564181 /nfs/dbraw/zinc/56/41/81/1137564181.db2.gz XJGHSWWYBZGHEM-WLMCBFPDSA-N 1 2 344.455 3.662 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cc(O)ccc1F)c1ccc(F)c(F)c1 ZINC000872053109 1137568235 /nfs/dbraw/zinc/56/82/35/1137568235.db2.gz IAUHFCQJSJDLTC-BMLIUANNSA-N 1 2 325.330 3.848 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872056512 1137568504 /nfs/dbraw/zinc/56/85/04/1137568504.db2.gz RRAFZCREETXAFJ-QGZVFWFLSA-N 1 2 330.472 3.735 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000872137617 1137573767 /nfs/dbraw/zinc/57/37/67/1137573767.db2.gz USSQZNNXTSILER-VIFPVBQESA-N 1 2 331.363 3.883 20 0 EHADLO CC[NH2+]Cc1noc(Cc2coc3c2ccc(Cl)c3Cl)n1 ZINC000872171830 1137575115 /nfs/dbraw/zinc/57/51/15/1137575115.db2.gz UYHOKLIRVNIXKS-UHFFFAOYSA-N 1 2 326.183 3.823 20 0 EHADLO Fc1cccc2c(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c21 ZINC001137059194 1137579128 /nfs/dbraw/zinc/57/91/28/1137579128.db2.gz QFHHRPWYAZOCOT-KRWDZBQOSA-N 1 2 340.398 3.587 20 0 EHADLO Fc1cccc2c(C[N@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c21 ZINC001137059194 1137579129 /nfs/dbraw/zinc/57/91/29/1137579129.db2.gz QFHHRPWYAZOCOT-KRWDZBQOSA-N 1 2 340.398 3.587 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 ZINC000872474168 1137580639 /nfs/dbraw/zinc/58/06/39/1137580639.db2.gz DZMGAZPPLPASFC-UHFFFAOYSA-N 1 2 346.853 3.593 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 ZINC000872474168 1137580640 /nfs/dbraw/zinc/58/06/40/1137580640.db2.gz DZMGAZPPLPASFC-UHFFFAOYSA-N 1 2 346.853 3.593 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000872701317 1137582881 /nfs/dbraw/zinc/58/28/81/1137582881.db2.gz TZRBPAMMMMYCJC-GOSISDBHSA-N 1 2 337.467 3.770 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000872701317 1137582882 /nfs/dbraw/zinc/58/28/82/1137582882.db2.gz TZRBPAMMMMYCJC-GOSISDBHSA-N 1 2 337.467 3.770 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)(C)C ZINC000872818880 1137585044 /nfs/dbraw/zinc/58/50/44/1137585044.db2.gz RALMTBAFRCJRBP-AWEZNQCLSA-N 1 2 331.435 3.621 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)(C)C ZINC000872818880 1137585045 /nfs/dbraw/zinc/58/50/45/1137585045.db2.gz RALMTBAFRCJRBP-AWEZNQCLSA-N 1 2 331.435 3.621 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC[C@@H]1C=CCC1 ZINC000873137570 1137591069 /nfs/dbraw/zinc/59/10/69/1137591069.db2.gz ZAFNIFVUVIACMG-QGZVFWFLSA-N 1 2 332.492 3.614 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000825665641 1137595535 /nfs/dbraw/zinc/59/55/35/1137595535.db2.gz ABBOGCTZFRAPGL-KRWDZBQOSA-N 1 2 345.874 3.913 20 0 EHADLO CCc1ccc(N(CC)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873982013 1137608681 /nfs/dbraw/zinc/60/86/81/1137608681.db2.gz VEMKRZWMYMYFTC-OAHLLOKOSA-N 1 2 339.361 3.992 20 0 EHADLO O=C(c1cc2sccc2nc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825738622 1137614015 /nfs/dbraw/zinc/61/40/15/1137614015.db2.gz QNIJRBCMNLOVCY-SNVBAGLBSA-N 1 2 346.843 3.693 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2cc(C)cc(C)c2)c1C ZINC000125280771 1137629226 /nfs/dbraw/zinc/62/92/26/1137629226.db2.gz GWAKJJQSHNEIED-UHFFFAOYSA-N 1 2 326.440 3.573 20 0 EHADLO CC(C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)=C1CCC1 ZINC000825826866 1137640335 /nfs/dbraw/zinc/64/03/35/1137640335.db2.gz KGTLGDSDLFPZAE-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO CC(C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)=C1CCC1 ZINC000825826866 1137640336 /nfs/dbraw/zinc/64/03/36/1137640336.db2.gz KGTLGDSDLFPZAE-OAHLLOKOSA-N 1 2 334.410 3.546 20 0 EHADLO CC(C)(C)OC(=O)Nc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)cn1 ZINC000876512382 1137654345 /nfs/dbraw/zinc/65/43/45/1137654345.db2.gz MVWNVXAENGLZLM-MRXNPFEDSA-N 1 2 340.427 3.771 20 0 EHADLO CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)cn1 ZINC000876512382 1137654346 /nfs/dbraw/zinc/65/43/46/1137654346.db2.gz MVWNVXAENGLZLM-MRXNPFEDSA-N 1 2 340.427 3.771 20 0 EHADLO Cc1ccnc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1Br ZINC000876740480 1137660178 /nfs/dbraw/zinc/66/01/78/1137660178.db2.gz OBLGJJBHGMPIGW-MRXNPFEDSA-N 1 2 349.272 3.708 20 0 EHADLO Cc1ccnc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1Br ZINC000876740480 1137660179 /nfs/dbraw/zinc/66/01/79/1137660179.db2.gz OBLGJJBHGMPIGW-MRXNPFEDSA-N 1 2 349.272 3.708 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000876767804 1137660843 /nfs/dbraw/zinc/66/08/43/1137660843.db2.gz APUDDUZDZZQPCB-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1Br ZINC000876767804 1137660844 /nfs/dbraw/zinc/66/08/44/1137660844.db2.gz APUDDUZDZZQPCB-INIZCTEOSA-N 1 2 349.272 3.617 20 0 EHADLO COC(=O)C[C@H](C)[N@H+](Cc1ncc(Cl)s1)Cc1ccccc1 ZINC001137112175 1137661757 /nfs/dbraw/zinc/66/17/57/1137661757.db2.gz WFIUHKMVWIMDAF-LBPRGKRZSA-N 1 2 338.860 3.750 20 0 EHADLO COC(=O)C[C@H](C)[N@@H+](Cc1ncc(Cl)s1)Cc1ccccc1 ZINC001137112175 1137661758 /nfs/dbraw/zinc/66/17/58/1137661758.db2.gz WFIUHKMVWIMDAF-LBPRGKRZSA-N 1 2 338.860 3.750 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(NC(C)=O)c(Cl)c2)c1C ZINC000876819555 1137662499 /nfs/dbraw/zinc/66/24/99/1137662499.db2.gz CMLXXXPSETYLSU-UHFFFAOYSA-N 1 2 333.819 3.931 20 0 EHADLO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000876820449 1137662637 /nfs/dbraw/zinc/66/26/37/1137662637.db2.gz WONJPBPHIRKJJO-NPMXOYFQSA-N 1 2 340.404 3.658 20 0 EHADLO CCO[P@](C)(=O)CC[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000876954930 1137666121 /nfs/dbraw/zinc/66/61/21/1137666121.db2.gz PVWBOSDNCLLXTG-FPTDNZKUSA-N 1 2 325.393 3.817 20 0 EHADLO COCCc1nc2cc(NCc3[nH+]cc(C)c(OC)c3C)ccc2o1 ZINC000877076878 1137669766 /nfs/dbraw/zinc/66/97/66/1137669766.db2.gz SLQGWRDDVWOQNB-UHFFFAOYSA-N 1 2 341.411 3.649 20 0 EHADLO Cc1noc(C[C@H]([NH2+]Cc2nc(Cl)cs2)c2ccccc2)n1 ZINC000877479967 1137677709 /nfs/dbraw/zinc/67/77/09/1137677709.db2.gz ZETOIDBXHANFSM-LBPRGKRZSA-N 1 2 334.832 3.562 20 0 EHADLO COCCC[N@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccncc1 ZINC000877525484 1137679769 /nfs/dbraw/zinc/67/97/69/1137679769.db2.gz FEHKXRYDLPRBKZ-UHFFFAOYSA-N 1 2 333.501 3.874 20 0 EHADLO COCCC[N@@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccncc1 ZINC000877525484 1137679770 /nfs/dbraw/zinc/67/97/70/1137679770.db2.gz FEHKXRYDLPRBKZ-UHFFFAOYSA-N 1 2 333.501 3.874 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nccc(C)c1Br ZINC000877530648 1137679949 /nfs/dbraw/zinc/67/99/49/1137679949.db2.gz DXZWSJAJBUUSLU-AWEZNQCLSA-N 1 2 349.276 3.830 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nccc(C)c1Br ZINC000877530648 1137679950 /nfs/dbraw/zinc/67/99/50/1137679950.db2.gz DXZWSJAJBUUSLU-AWEZNQCLSA-N 1 2 349.276 3.830 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1Br ZINC000877539185 1137680275 /nfs/dbraw/zinc/68/02/75/1137680275.db2.gz KWOBJGOWBXGQFN-ZFWWWQNUSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1ccnc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1Br ZINC000877539185 1137680276 /nfs/dbraw/zinc/68/02/76/1137680276.db2.gz KWOBJGOWBXGQFN-ZFWWWQNUSA-N 1 2 339.277 3.542 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000877697689 1137686124 /nfs/dbraw/zinc/68/61/24/1137686124.db2.gz AOMNBODWFRADSI-UHFFFAOYSA-N 1 2 345.729 3.611 20 0 EHADLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)o1 ZINC000877820679 1137691655 /nfs/dbraw/zinc/69/16/55/1137691655.db2.gz JKRIXHBXWWBHPV-NSHDSACASA-N 1 2 345.333 3.889 20 0 EHADLO FC(F)SCc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)o1 ZINC000877820679 1137691656 /nfs/dbraw/zinc/69/16/56/1137691656.db2.gz JKRIXHBXWWBHPV-NSHDSACASA-N 1 2 345.333 3.889 20 0 EHADLO CC1(C)[NH2+]C2(CCC(C(F)(F)F)CC2)N(CC2CCCC2)C1=O ZINC000877856855 1137693554 /nfs/dbraw/zinc/69/35/54/1137693554.db2.gz IYGWKDNFVMCVHF-UHFFFAOYSA-N 1 2 332.410 3.836 20 0 EHADLO Cc1ccc(C2=CC[N@H+](CCCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000877910475 1137695196 /nfs/dbraw/zinc/69/51/96/1137695196.db2.gz UZIOGNXETNBSRJ-UHFFFAOYSA-N 1 2 335.513 3.688 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000877910475 1137695197 /nfs/dbraw/zinc/69/51/97/1137695197.db2.gz UZIOGNXETNBSRJ-UHFFFAOYSA-N 1 2 335.513 3.688 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)c(Cl)n1 ZINC000877946420 1137696572 /nfs/dbraw/zinc/69/65/72/1137696572.db2.gz XOIAFUVWZIDSIK-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)c(Cl)n1 ZINC000877946420 1137696573 /nfs/dbraw/zinc/69/65/73/1137696573.db2.gz XOIAFUVWZIDSIK-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO Cc1coc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000878022396 1137699871 /nfs/dbraw/zinc/69/98/71/1137699871.db2.gz GQUKPVZEWQOYAV-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1coc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000878022396 1137699872 /nfs/dbraw/zinc/69/98/72/1137699872.db2.gz GQUKPVZEWQOYAV-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878044908 1137700502 /nfs/dbraw/zinc/70/05/02/1137700502.db2.gz RCVXYUHFXWNVRH-UHFFFAOYSA-N 1 2 333.350 3.852 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000878138331 1137704091 /nfs/dbraw/zinc/70/40/91/1137704091.db2.gz FDONEGCJNYAWCS-GUYCJALGSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000878138331 1137704092 /nfs/dbraw/zinc/70/40/92/1137704092.db2.gz FDONEGCJNYAWCS-GUYCJALGSA-N 1 2 327.403 3.551 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000878237974 1137708293 /nfs/dbraw/zinc/70/82/93/1137708293.db2.gz TZTZOGNRMNBIIP-BJHJDKERSA-N 1 2 349.272 3.714 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000878237974 1137708294 /nfs/dbraw/zinc/70/82/94/1137708294.db2.gz TZTZOGNRMNBIIP-BJHJDKERSA-N 1 2 349.272 3.714 20 0 EHADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000878255842 1137708830 /nfs/dbraw/zinc/70/88/30/1137708830.db2.gz USMJNXUCTKKBJB-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000878255842 1137708831 /nfs/dbraw/zinc/70/88/31/1137708831.db2.gz USMJNXUCTKKBJB-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[N@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)[C@H]1CCSC1 ZINC000878304597 1137710405 /nfs/dbraw/zinc/71/04/05/1137710405.db2.gz OVFGNWGRVGBQNK-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)[C@H]1CCSC1 ZINC000878304597 1137710406 /nfs/dbraw/zinc/71/04/06/1137710406.db2.gz OVFGNWGRVGBQNK-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878340506 1137711390 /nfs/dbraw/zinc/71/13/90/1137711390.db2.gz MPOCTJCBXDXUEH-AWEZNQCLSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878340506 1137711391 /nfs/dbraw/zinc/71/13/91/1137711391.db2.gz MPOCTJCBXDXUEH-AWEZNQCLSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc2c(c1)OCO2 ZINC000878348902 1137711854 /nfs/dbraw/zinc/71/18/54/1137711854.db2.gz YFMOYLKPMXUUPN-SECBINFHSA-N 1 2 325.195 3.968 20 0 EHADLO COC(=O)c1ccc(OC)c(C[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000878351285 1137711960 /nfs/dbraw/zinc/71/19/60/1137711960.db2.gz VBENHPZTXKZBCD-NSHDSACASA-N 1 2 335.350 3.611 20 0 EHADLO COc1ccc(C2([NH2+]Cc3noc4c3CC(C)(C)CC4)CC2)cc1 ZINC000878362884 1137712667 /nfs/dbraw/zinc/71/26/67/1137712667.db2.gz KFAGQBHBMUQUNE-UHFFFAOYSA-N 1 2 326.440 3.977 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3c4c[nH]nc4CC[C@H]3C)c2)[nH+]c1C ZINC000878392311 1137714072 /nfs/dbraw/zinc/71/40/72/1137714072.db2.gz IIXLAFTVHRUYLM-ZMZPIMSZSA-N 1 2 349.438 3.721 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@H](CO)c2sccc2C)co1 ZINC000878459193 1137716844 /nfs/dbraw/zinc/71/68/44/1137716844.db2.gz BAUOEJYVPAWPAC-OAHLLOKOSA-N 1 2 344.436 3.543 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000878555832 1137720071 /nfs/dbraw/zinc/72/00/71/1137720071.db2.gz IDXCTZGQRRAJKU-CYBMUJFWSA-N 1 2 330.457 3.520 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2CCc2ccccc2Br)n1 ZINC000878615589 1137722468 /nfs/dbraw/zinc/72/24/68/1137722468.db2.gz ZFHLUAHARHUWDG-CQSZACIVSA-N 1 2 336.233 3.520 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2CCc2ccccc2Br)n1 ZINC000878615589 1137722469 /nfs/dbraw/zinc/72/24/69/1137722469.db2.gz ZFHLUAHARHUWDG-CQSZACIVSA-N 1 2 336.233 3.520 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)co1 ZINC000878770373 1137727604 /nfs/dbraw/zinc/72/76/04/1137727604.db2.gz OPWSPYDDSOBNGK-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)co1 ZINC000878770373 1137727605 /nfs/dbraw/zinc/72/76/05/1137727605.db2.gz OPWSPYDDSOBNGK-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878813178 1137728857 /nfs/dbraw/zinc/72/88/57/1137728857.db2.gz JMNCPSNBFPCEIL-ABAIWWIYSA-N 1 2 328.790 3.707 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878813178 1137728858 /nfs/dbraw/zinc/72/88/58/1137728858.db2.gz JMNCPSNBFPCEIL-ABAIWWIYSA-N 1 2 328.790 3.707 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC000879007372 1137735091 /nfs/dbraw/zinc/73/50/91/1137735091.db2.gz VUPURIJUFJCBIP-UHFFFAOYSA-N 1 2 344.368 3.543 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC000879007372 1137735092 /nfs/dbraw/zinc/73/50/92/1137735092.db2.gz VUPURIJUFJCBIP-UHFFFAOYSA-N 1 2 344.368 3.543 20 0 EHADLO CCOCC[N@H+](Cc1nccn1CC(F)F)[C@H]1CCc2ccccc21 ZINC000879051690 1137736334 /nfs/dbraw/zinc/73/63/34/1137736334.db2.gz BJVRZAQQDCLGJU-KRWDZBQOSA-N 1 2 349.425 3.674 20 0 EHADLO CCOCC[N@@H+](Cc1nccn1CC(F)F)[C@H]1CCc2ccccc21 ZINC000879051690 1137736335 /nfs/dbraw/zinc/73/63/35/1137736335.db2.gz BJVRZAQQDCLGJU-KRWDZBQOSA-N 1 2 349.425 3.674 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001137144175 1137744814 /nfs/dbraw/zinc/74/48/14/1137744814.db2.gz MYPNUYOULQKJQJ-HXUWFJFHSA-N 1 2 346.515 3.943 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001137144175 1137744815 /nfs/dbraw/zinc/74/48/15/1137744815.db2.gz MYPNUYOULQKJQJ-HXUWFJFHSA-N 1 2 346.515 3.943 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000879606526 1137752160 /nfs/dbraw/zinc/75/21/60/1137752160.db2.gz WARCNEKQTJHHBS-VQIMIIECSA-N 1 2 341.455 3.983 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636917 1137753094 /nfs/dbraw/zinc/75/30/94/1137753094.db2.gz SCMDWCTUMIWZOI-UKRRQHHQSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636917 1137753095 /nfs/dbraw/zinc/75/30/95/1137753095.db2.gz SCMDWCTUMIWZOI-UKRRQHHQSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cccc2c(C[N@@H+]3CCc4ncc(C(F)(F)F)cc4C3)[nH]nc21 ZINC001137148128 1137762328 /nfs/dbraw/zinc/76/23/28/1137762328.db2.gz SNEQRZSJFNFIDX-UHFFFAOYSA-N 1 2 346.356 3.843 20 0 EHADLO Cc1cccc2c(C[N@H+]3CCc4ncc(C(F)(F)F)cc4C3)[nH]nc21 ZINC001137148128 1137762329 /nfs/dbraw/zinc/76/23/29/1137762329.db2.gz SNEQRZSJFNFIDX-UHFFFAOYSA-N 1 2 346.356 3.843 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000880002146 1137764530 /nfs/dbraw/zinc/76/45/30/1137764530.db2.gz WNEIEGPTVXQVDF-INIZCTEOSA-N 1 2 339.361 3.629 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000880002146 1137764531 /nfs/dbraw/zinc/76/45/31/1137764531.db2.gz WNEIEGPTVXQVDF-INIZCTEOSA-N 1 2 339.361 3.629 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](CF)C1)Nc1ccccc1SC(F)F ZINC000880230991 1137771609 /nfs/dbraw/zinc/77/16/09/1137771609.db2.gz RYFKVDNCLJCPKM-NSHDSACASA-N 1 2 332.391 3.621 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](CF)C1)Nc1ccccc1SC(F)F ZINC000880230991 1137771610 /nfs/dbraw/zinc/77/16/10/1137771610.db2.gz RYFKVDNCLJCPKM-NSHDSACASA-N 1 2 332.391 3.621 20 0 EHADLO O=C(C[NH+]1CCC(F)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000880242000 1137771815 /nfs/dbraw/zinc/77/18/15/1137771815.db2.gz UCEKLDZFOZYPQJ-UHFFFAOYSA-N 1 2 338.732 3.731 20 0 EHADLO c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000880275191 1137772526 /nfs/dbraw/zinc/77/25/26/1137772526.db2.gz LJOCEULGXMZYSC-MRXNPFEDSA-N 1 2 349.438 3.717 20 0 EHADLO c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000880275191 1137772527 /nfs/dbraw/zinc/77/25/27/1137772527.db2.gz LJOCEULGXMZYSC-MRXNPFEDSA-N 1 2 349.438 3.717 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880319291 1137775076 /nfs/dbraw/zinc/77/50/76/1137775076.db2.gz VJRAWJOCNRMSCO-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880319291 1137775077 /nfs/dbraw/zinc/77/50/77/1137775077.db2.gz VJRAWJOCNRMSCO-OLZOCXBDSA-N 1 2 349.887 3.921 20 0 EHADLO c1ccc([C@@H]2CSCCC[N@H+]2Cc2nc(CC3CC3)no2)cc1 ZINC000880389125 1137777576 /nfs/dbraw/zinc/77/75/76/1137777576.db2.gz RTPSNOUIIAGAKD-INIZCTEOSA-N 1 2 329.469 3.702 20 0 EHADLO c1ccc([C@@H]2CSCCC[N@@H+]2Cc2nc(CC3CC3)no2)cc1 ZINC000880389125 1137777577 /nfs/dbraw/zinc/77/75/77/1137777577.db2.gz RTPSNOUIIAGAKD-INIZCTEOSA-N 1 2 329.469 3.702 20 0 EHADLO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c(Br)n1 ZINC000880537969 1137780815 /nfs/dbraw/zinc/78/08/15/1137780815.db2.gz IQFLWKWPQXUQHY-NHYWBVRUSA-N 1 2 332.245 3.617 20 0 EHADLO Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c(Br)n1 ZINC000880537969 1137780816 /nfs/dbraw/zinc/78/08/16/1137780816.db2.gz IQFLWKWPQXUQHY-NHYWBVRUSA-N 1 2 332.245 3.617 20 0 EHADLO CCCCc1noc(C[N@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134109 1137789766 /nfs/dbraw/zinc/78/97/66/1137789766.db2.gz ASMZLQUYANXUFR-YJBOKZPZSA-N 1 2 343.471 3.937 20 0 EHADLO CCCCc1noc(C[N@@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134109 1137789767 /nfs/dbraw/zinc/78/97/67/1137789767.db2.gz ASMZLQUYANXUFR-YJBOKZPZSA-N 1 2 343.471 3.937 20 0 EHADLO CCCc1noc(C[N@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134279 1137791157 /nfs/dbraw/zinc/79/11/57/1137791157.db2.gz DHTBSGQAFLUEGA-YOEHRIQHSA-N 1 2 329.444 3.547 20 0 EHADLO CCCc1noc(C[N@@H+]([C@@H](C)COC)[C@H]2CCc3ccccc32)n1 ZINC000626134279 1137791158 /nfs/dbraw/zinc/79/11/58/1137791158.db2.gz DHTBSGQAFLUEGA-YOEHRIQHSA-N 1 2 329.444 3.547 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2(C)C)cc1 ZINC000881658954 1137813103 /nfs/dbraw/zinc/81/31/03/1137813103.db2.gz LEXOGQNXEBGAER-GOSISDBHSA-N 1 2 325.456 3.766 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000888903996 1137819994 /nfs/dbraw/zinc/81/99/94/1137819994.db2.gz GSCCNHFVLYAROJ-GBESFXJTSA-N 1 2 337.467 3.678 20 0 EHADLO FC1(F)CN(Cc2cccc3cccnc32)CC[C@@H]1[NH+]1CCCCC1 ZINC001137179696 1137830157 /nfs/dbraw/zinc/83/01/57/1137830157.db2.gz ZPKLCNIECANTFS-SFHVURJKSA-N 1 2 345.437 3.930 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F)n1cc[nH+]c1 ZINC000882705249 1137832103 /nfs/dbraw/zinc/83/21/03/1137832103.db2.gz OPXLLLMSBQAELF-RCCFBDPRSA-N 1 2 329.419 3.612 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1c(=O)sc2c1CCCC2 ZINC000131490184 1137854532 /nfs/dbraw/zinc/85/45/32/1137854532.db2.gz FIKAXVATNVPJFM-HNNXBMFYSA-N 1 2 331.485 3.614 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1c(=O)sc2c1CCCC2 ZINC000131490184 1137854533 /nfs/dbraw/zinc/85/45/33/1137854533.db2.gz FIKAXVATNVPJFM-HNNXBMFYSA-N 1 2 331.485 3.614 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(O)ccc2Cl)c(F)cc1OC ZINC000883324241 1137854950 /nfs/dbraw/zinc/85/49/50/1137854950.db2.gz NIPVZFSMPKFOST-UHFFFAOYSA-N 1 2 339.794 3.882 20 0 EHADLO CC(=O)c1ccc(N2CC[NH+](CCCCC(F)(F)F)CC2)c(F)c1 ZINC000131660597 1137857912 /nfs/dbraw/zinc/85/79/12/1137857912.db2.gz VRNZTNJFQQWMKG-UHFFFAOYSA-N 1 2 346.368 3.883 20 0 EHADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000883382727 1137858441 /nfs/dbraw/zinc/85/84/41/1137858441.db2.gz MCDBRARAIWMYBI-HZPDHXFCSA-N 1 2 335.220 3.959 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883381715 1137858462 /nfs/dbraw/zinc/85/84/62/1137858462.db2.gz RRLVUEYSHAGOJK-UKRRQHHQSA-N 1 2 327.325 3.554 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)cs1 ZINC000883394590 1137859474 /nfs/dbraw/zinc/85/94/74/1137859474.db2.gz DDXLAHSSIQEIPM-INIZCTEOSA-N 1 2 330.453 3.614 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132206752 1137864219 /nfs/dbraw/zinc/86/42/19/1137864219.db2.gz IPJPDKGACVDKMR-OAHLLOKOSA-N 1 2 348.468 3.654 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132206752 1137864220 /nfs/dbraw/zinc/86/42/20/1137864220.db2.gz IPJPDKGACVDKMR-OAHLLOKOSA-N 1 2 348.468 3.654 20 0 EHADLO CCC(=CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)CC ZINC000132465982 1137866365 /nfs/dbraw/zinc/86/63/65/1137866365.db2.gz CYQDOKCSHTUWFA-UHFFFAOYSA-N 1 2 329.488 3.893 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348247242 1137876296 /nfs/dbraw/zinc/87/62/96/1137876296.db2.gz NSZGGBDKVZPSTB-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348247242 1137876297 /nfs/dbraw/zinc/87/62/97/1137876297.db2.gz NSZGGBDKVZPSTB-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348267669 1137889687 /nfs/dbraw/zinc/88/96/87/1137889687.db2.gz BWUOZTOQZQGMCD-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348267669 1137889688 /nfs/dbraw/zinc/88/96/88/1137889688.db2.gz BWUOZTOQZQGMCD-IQJOONFLSA-N 1 2 336.304 3.565 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000133495295 1137894615 /nfs/dbraw/zinc/89/46/15/1137894615.db2.gz JFRHJFAXWFIGSJ-SFHVURJKSA-N 1 2 343.496 3.602 20 0 EHADLO Cc1cnc(=S)n(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000133495295 1137894616 /nfs/dbraw/zinc/89/46/16/1137894616.db2.gz JFRHJFAXWFIGSJ-SFHVURJKSA-N 1 2 343.496 3.602 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000800103671 1137897874 /nfs/dbraw/zinc/89/78/74/1137897874.db2.gz VBFFRODYCKIURT-RTYFKUQISA-N 1 2 329.488 3.918 20 0 EHADLO C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069327 1137899049 /nfs/dbraw/zinc/89/90/49/1137899049.db2.gz OROYGCSENRIWAJ-HOTGVXAUSA-N 1 2 342.443 3.662 20 0 EHADLO CC[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069851 1137899086 /nfs/dbraw/zinc/89/90/86/1137899086.db2.gz OMOXNFARTVFKNR-MRXNPFEDSA-N 1 2 342.443 3.616 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000111376439 1137904373 /nfs/dbraw/zinc/90/43/73/1137904373.db2.gz YMIKRKPOQNPMHV-OLZOCXBDSA-N 1 2 349.475 3.542 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000111727712 1137905324 /nfs/dbraw/zinc/90/53/24/1137905324.db2.gz FNBZNASUQFGFCH-GVDBMIGSSA-N 1 2 347.503 3.806 20 0 EHADLO Cc1ccc2c(Nc3cccc(F)c3N3CC[C@H](O)C3)cccc2[nH+]1 ZINC001212798694 1137913295 /nfs/dbraw/zinc/91/32/95/1137913295.db2.gz NQQDVMYRZLTMSR-AWEZNQCLSA-N 1 2 337.398 3.997 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000113510164 1137913502 /nfs/dbraw/zinc/91/35/02/1137913502.db2.gz QXDFZOIZKIBOLZ-IBGZPJMESA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000113510164 1137913503 /nfs/dbraw/zinc/91/35/03/1137913503.db2.gz QXDFZOIZKIBOLZ-IBGZPJMESA-N 1 2 338.407 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCOc3ccccc32)c(C)[nH+]1 ZINC000331673935 1137916827 /nfs/dbraw/zinc/91/68/27/1137916827.db2.gz PFULVSURAGHZFZ-OAHLLOKOSA-N 1 2 325.412 3.695 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331685725 1137917093 /nfs/dbraw/zinc/91/70/93/1137917093.db2.gz UWHLEUXYAVEZCU-CQSZACIVSA-N 1 2 344.463 3.625 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331714457 1137918037 /nfs/dbraw/zinc/91/80/37/1137918037.db2.gz MSPSNZUHMURNAD-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000331714457 1137918038 /nfs/dbraw/zinc/91/80/38/1137918038.db2.gz MSPSNZUHMURNAD-QGZVFWFLSA-N 1 2 346.862 3.548 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000331735310 1137918731 /nfs/dbraw/zinc/91/87/31/1137918731.db2.gz SPTWDTSUEYEFQM-GOSISDBHSA-N 1 2 340.471 3.511 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000331735310 1137918732 /nfs/dbraw/zinc/91/87/32/1137918732.db2.gz SPTWDTSUEYEFQM-GOSISDBHSA-N 1 2 340.471 3.511 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000348303462 1137923565 /nfs/dbraw/zinc/92/35/65/1137923565.db2.gz FMFBVJADGKCLOW-GFCCVEGCSA-N 1 2 349.525 3.941 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000348303462 1137923566 /nfs/dbraw/zinc/92/35/66/1137923566.db2.gz FMFBVJADGKCLOW-GFCCVEGCSA-N 1 2 349.525 3.941 20 0 EHADLO C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331879525 1137924114 /nfs/dbraw/zinc/92/41/14/1137924114.db2.gz CAYYRDKUMSWWAS-JKSUJKDBSA-N 1 2 346.519 3.618 20 0 EHADLO Cc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000117327384 1137929901 /nfs/dbraw/zinc/92/99/01/1137929901.db2.gz VQHQMMPBLCSXOZ-UHFFFAOYSA-N 1 2 339.283 3.984 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C)cc1 ZINC000332166263 1137934244 /nfs/dbraw/zinc/93/42/44/1137934244.db2.gz KUKQASMWUUMENE-SJORKVTESA-N 1 2 326.444 3.758 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2ccccn2c1 ZINC000118763581 1137935044 /nfs/dbraw/zinc/93/50/44/1137935044.db2.gz VXAUPYOMBQCLSZ-UHFFFAOYSA-N 1 2 340.452 3.634 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000118840606 1137935841 /nfs/dbraw/zinc/93/58/41/1137935841.db2.gz KBSIJPCYQJUUSD-WMLDXEAASA-N 1 2 336.439 3.674 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119118493 1137938213 /nfs/dbraw/zinc/93/82/13/1137938213.db2.gz OOARVGXXBHVFNH-CYBMUJFWSA-N 1 2 338.879 3.947 20 0 EHADLO Cc1nc(N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000120353861 1137948850 /nfs/dbraw/zinc/94/88/50/1137948850.db2.gz LZGFVXKPRXLUJT-AUUYWEPGSA-N 1 2 327.428 3.522 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039088 1137953534 /nfs/dbraw/zinc/95/35/34/1137953534.db2.gz CDAJSIVWFDDMMT-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCCO1 ZINC000333039088 1137953535 /nfs/dbraw/zinc/95/35/35/1137953535.db2.gz CDAJSIVWFDDMMT-YPMHNXCESA-N 1 2 335.473 3.576 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000333042068 1137953607 /nfs/dbraw/zinc/95/36/07/1137953607.db2.gz OQRXOYPRDKOAGI-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO CC(C)(C)c1csc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000333042068 1137953608 /nfs/dbraw/zinc/95/36/08/1137953608.db2.gz OQRXOYPRDKOAGI-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000121030321 1137954544 /nfs/dbraw/zinc/95/45/44/1137954544.db2.gz MPLDXKMYMUOTSP-CYBMUJFWSA-N 1 2 349.862 3.680 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000121030321 1137954545 /nfs/dbraw/zinc/95/45/45/1137954545.db2.gz MPLDXKMYMUOTSP-CYBMUJFWSA-N 1 2 349.862 3.680 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884482010 1137961019 /nfs/dbraw/zinc/96/10/19/1137961019.db2.gz VDEHMTCFHBMYKQ-LSDHHAIUSA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884482010 1137961020 /nfs/dbraw/zinc/96/10/20/1137961020.db2.gz VDEHMTCFHBMYKQ-LSDHHAIUSA-N 1 2 347.509 3.799 20 0 EHADLO OC[C@H](C[C@H]1CCCO1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000884616622 1137964476 /nfs/dbraw/zinc/96/44/76/1137964476.db2.gz ZQEXWERXUAGWLP-UONOGXRCSA-N 1 2 340.345 3.596 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885244036 1137991274 /nfs/dbraw/zinc/99/12/74/1137991274.db2.gz BJDLTFCXTUVWCD-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885244036 1137991275 /nfs/dbraw/zinc/99/12/75/1137991275.db2.gz BJDLTFCXTUVWCD-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO O=C(Nc1ccc(C(F)F)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000885580567 1138009954 /nfs/dbraw/zinc/00/99/54/1138009954.db2.gz BATHYENBUPRBCN-MRXNPFEDSA-N 1 2 331.366 3.622 20 0 EHADLO O=C(Nc1ccc(C(F)F)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000885580567 1138009956 /nfs/dbraw/zinc/00/99/56/1138009956.db2.gz BATHYENBUPRBCN-MRXNPFEDSA-N 1 2 331.366 3.622 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(F)c(O)cc1Cl)n1cc[nH+]c1 ZINC000885680263 1138018321 /nfs/dbraw/zinc/01/83/21/1138018321.db2.gz NYAMDPRCIHWPHY-ZDUSSCGKSA-N 1 2 325.771 3.607 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3OCC(F)F)nc2c1 ZINC000886005626 1138031610 /nfs/dbraw/zinc/03/16/10/1138031610.db2.gz FVQRJWMSORGKRS-UHFFFAOYSA-N 1 2 331.366 3.805 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccccc3OCC(F)F)[nH]c2c1 ZINC000886005626 1138031612 /nfs/dbraw/zinc/03/16/12/1138031612.db2.gz FVQRJWMSORGKRS-UHFFFAOYSA-N 1 2 331.366 3.805 20 0 EHADLO CC(=O)CCCCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000136516808 1138035323 /nfs/dbraw/zinc/03/53/23/1138035323.db2.gz DAOICVWCGUDJMZ-UHFFFAOYSA-N 1 2 345.487 3.618 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3ncc(Cl)n3C)ccc2c1 ZINC000050275046 1138045038 /nfs/dbraw/zinc/04/50/38/1138045038.db2.gz GNLFMXXQNWRPLK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3ncc(Cl)n3C)ccc2c1 ZINC000050275046 1138045039 /nfs/dbraw/zinc/04/50/39/1138045039.db2.gz GNLFMXXQNWRPLK-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000056664775 1138058597 /nfs/dbraw/zinc/05/85/97/1138058597.db2.gz OEJKQFYRQOXJMW-CABCVRRESA-N 1 2 340.427 3.811 20 0 EHADLO C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206602 1138059233 /nfs/dbraw/zinc/05/92/33/1138059233.db2.gz YHPVPBCTTGKMBT-IXDOHACOSA-N 1 2 331.460 3.822 20 0 EHADLO C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206602 1138059234 /nfs/dbraw/zinc/05/92/34/1138059234.db2.gz YHPVPBCTTGKMBT-IXDOHACOSA-N 1 2 331.460 3.822 20 0 EHADLO COc1cc([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c(F)cn1 ZINC000348382950 1138072012 /nfs/dbraw/zinc/07/20/12/1138072012.db2.gz IBCVBGPHJTYCEN-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC3CCC3)n2)C1 ZINC000348382372 1138072852 /nfs/dbraw/zinc/07/28/52/1138072852.db2.gz NNMNHPYDGMTPHS-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC3CCC3)n2)C1 ZINC000348382372 1138072853 /nfs/dbraw/zinc/07/28/53/1138072853.db2.gz NNMNHPYDGMTPHS-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO COc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(C)c1 ZINC000066172449 1138074255 /nfs/dbraw/zinc/07/42/55/1138074255.db2.gz WVBNVZIZEQTUER-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000066566061 1138076331 /nfs/dbraw/zinc/07/63/31/1138076331.db2.gz QBTCHDQODCAUFI-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000066566061 1138076333 /nfs/dbraw/zinc/07/63/33/1138076333.db2.gz QBTCHDQODCAUFI-LBPRGKRZSA-N 1 2 337.876 3.872 20 0 EHADLO CC[C@@](C)([NH2+]CC(=O)Nc1nc2ccccc2s1)c1nccs1 ZINC000072683025 1138107195 /nfs/dbraw/zinc/10/71/95/1138107195.db2.gz OYFCCBMJHQTOAQ-MRXNPFEDSA-N 1 2 346.481 3.606 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nnc(C(C)(C)C)o3)C2)n1 ZINC000886698894 1138118319 /nfs/dbraw/zinc/11/83/19/1138118319.db2.gz PEFXTQAEZWLGKY-ZDUSSCGKSA-N 1 2 334.489 3.587 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nnc(C(C)(C)C)o3)C2)n1 ZINC000886698894 1138118320 /nfs/dbraw/zinc/11/83/20/1138118320.db2.gz PEFXTQAEZWLGKY-ZDUSSCGKSA-N 1 2 334.489 3.587 20 0 EHADLO C[C@]1(C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCOC2(CCC2)C1 ZINC000886776978 1138138891 /nfs/dbraw/zinc/13/88/91/1138138891.db2.gz VAYOPYHYAUKIAJ-AEFFLSMTSA-N 1 2 332.492 3.755 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H]2CCc3c2cccc3F)cs1 ZINC000886925110 1138172727 /nfs/dbraw/zinc/17/27/27/1138172727.db2.gz GMPMDSNAZCSJOH-MRXNPFEDSA-N 1 2 348.443 3.553 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3cnccc3Cl)CC2)cc1 ZINC001137236346 1138184351 /nfs/dbraw/zinc/18/43/51/1138184351.db2.gz ATWUTEWTNIRCCJ-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](C)c2nccs2)c1OC(F)F ZINC000091735847 1138221557 /nfs/dbraw/zinc/22/15/57/1138221557.db2.gz XHOYVHFOHGAKRF-SNVBAGLBSA-N 1 2 328.384 3.994 20 0 EHADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000092480819 1138228591 /nfs/dbraw/zinc/22/85/91/1138228591.db2.gz FFXBKCRUNUGUIH-UHFFFAOYSA-N 1 2 345.393 3.751 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000122379962 1138257759 /nfs/dbraw/zinc/25/77/59/1138257759.db2.gz KGOHOEQRKNWVQA-UHFFFAOYSA-N 1 2 343.858 3.955 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000122379962 1138257762 /nfs/dbraw/zinc/25/77/62/1138257762.db2.gz KGOHOEQRKNWVQA-UHFFFAOYSA-N 1 2 343.858 3.955 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000122810749 1138262506 /nfs/dbraw/zinc/26/25/06/1138262506.db2.gz ZXOKQSQCWXKVJA-HOCLYGCPSA-N 1 2 343.427 3.613 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000122810749 1138262508 /nfs/dbraw/zinc/26/25/08/1138262508.db2.gz ZXOKQSQCWXKVJA-HOCLYGCPSA-N 1 2 343.427 3.613 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3ccccc3F)CCCC2)no1 ZINC000124067929 1138278759 /nfs/dbraw/zinc/27/87/59/1138278759.db2.gz CICMIVMWIXJQNH-UHFFFAOYSA-N 1 2 346.450 3.610 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000124117366 1138279726 /nfs/dbraw/zinc/27/97/26/1138279726.db2.gz OAFURZCOWBOUMM-BMIGLBTASA-N 1 2 339.773 3.538 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000124388451 1138285624 /nfs/dbraw/zinc/28/56/24/1138285624.db2.gz WIGDOBCBBOCKOD-UZLBHIALSA-N 1 2 333.435 3.689 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124713436 1138293002 /nfs/dbraw/zinc/29/30/02/1138293002.db2.gz AYOMKLRYRVABRP-CRAIPNDOSA-N 1 2 343.496 3.860 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000124951145 1138297903 /nfs/dbraw/zinc/29/79/03/1138297903.db2.gz YZZVZIJJQLGKRS-PXAZEXFGSA-N 1 2 342.830 3.741 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001202759478 1138312264 /nfs/dbraw/zinc/31/22/64/1138312264.db2.gz AJFMRYATTJCYNE-UHFFFAOYSA-N 1 2 325.412 3.774 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000127150797 1138348193 /nfs/dbraw/zinc/34/81/93/1138348193.db2.gz BFTBZFMTYUNFIR-CZUORRHYSA-N 1 2 332.835 3.960 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000127209879 1138349784 /nfs/dbraw/zinc/34/97/84/1138349784.db2.gz DXCWYQNJRRTHOZ-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C(C)C)nc4onc(C)c43)ccc2[nH+]1 ZINC000263738406 1138353487 /nfs/dbraw/zinc/35/34/87/1138353487.db2.gz ATGZFISBBSMMMB-UHFFFAOYSA-N 1 2 349.394 3.863 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127326467 1138353754 /nfs/dbraw/zinc/35/37/54/1138353754.db2.gz FJHGZOXJMIOUNO-LBPRGKRZSA-N 1 2 337.876 3.681 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127326467 1138353757 /nfs/dbraw/zinc/35/37/57/1138353757.db2.gz FJHGZOXJMIOUNO-LBPRGKRZSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263764750 1138359899 /nfs/dbraw/zinc/35/98/99/1138359899.db2.gz IQAXBROUJHXNCE-CYBMUJFWSA-N 1 2 346.862 3.775 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127605018 1138364154 /nfs/dbraw/zinc/36/41/54/1138364154.db2.gz DHKMUZZWIMLXPY-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127605018 1138364158 /nfs/dbraw/zinc/36/41/58/1138364158.db2.gz DHKMUZZWIMLXPY-GUYCJALGSA-N 1 2 334.366 3.818 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000128056961 1138378817 /nfs/dbraw/zinc/37/88/17/1138378817.db2.gz RAIQBMLMHNHAOA-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000128056961 1138378820 /nfs/dbraw/zinc/37/88/20/1138378820.db2.gz RAIQBMLMHNHAOA-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(CC)nn1 ZINC000887547394 1138411743 /nfs/dbraw/zinc/41/17/43/1138411743.db2.gz HMFHTZQARLJDDW-SFHVURJKSA-N 1 2 330.476 3.964 20 0 EHADLO Cc1ccc(C)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264149889 1138429299 /nfs/dbraw/zinc/42/92/99/1138429299.db2.gz AGYKVOQAIPQYSU-QGZVFWFLSA-N 1 2 338.451 3.949 20 0 EHADLO Cn1c2c(cccc2F)nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000336966032 1138436928 /nfs/dbraw/zinc/43/69/28/1138436928.db2.gz GUPLLKHUNCJUQF-UHFFFAOYSA-N 1 2 341.434 3.606 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000130138352 1138437638 /nfs/dbraw/zinc/43/76/38/1138437638.db2.gz ULFFYQNGCXLCQM-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000130138352 1138437639 /nfs/dbraw/zinc/43/76/39/1138437639.db2.gz ULFFYQNGCXLCQM-INIZCTEOSA-N 1 2 326.375 3.854 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264230798 1138449316 /nfs/dbraw/zinc/44/93/16/1138449316.db2.gz LBHZNIJVSWIVPB-HZPDHXFCSA-N 1 2 333.476 3.732 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cc(F)ccc2F)c1)[NH+]1CCOCC1 ZINC000264306533 1138470028 /nfs/dbraw/zinc/47/00/28/1138470028.db2.gz YHRHLIWPJBACND-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000337141371 1138477900 /nfs/dbraw/zinc/47/79/00/1138477900.db2.gz VNVMOQRKXJWCEP-MRXNPFEDSA-N 1 2 335.382 3.641 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337152990 1138480918 /nfs/dbraw/zinc/48/09/18/1138480918.db2.gz MZGAVYMNJJWZHC-JKSUJKDBSA-N 1 2 349.544 3.847 20 0 EHADLO CC(C)CCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000337308730 1138527099 /nfs/dbraw/zinc/52/70/99/1138527099.db2.gz VBSBYARUEZNLPY-UHFFFAOYSA-N 1 2 330.476 3.748 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000264493153 1138535178 /nfs/dbraw/zinc/53/51/78/1138535178.db2.gz DNLOHZBBKFSVPI-INIZCTEOSA-N 1 2 340.471 3.547 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000131768227 1138540627 /nfs/dbraw/zinc/54/06/27/1138540627.db2.gz MYZKLTZYYAKUEH-IXDOHACOSA-N 1 2 345.487 3.560 20 0 EHADLO CC[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000131768227 1138540630 /nfs/dbraw/zinc/54/06/30/1138540630.db2.gz MYZKLTZYYAKUEH-IXDOHACOSA-N 1 2 345.487 3.560 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000337495288 1138586350 /nfs/dbraw/zinc/58/63/50/1138586350.db2.gz HZUSHCWKJLUIRR-QZKSUSQMSA-N 1 2 345.430 3.950 20 0 EHADLO O=C(c1csc2c1CCCC2)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337597699 1138616711 /nfs/dbraw/zinc/61/67/11/1138616711.db2.gz PTRUVKYHYBJXNU-QGZVFWFLSA-N 1 2 344.455 3.553 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000337648440 1138633081 /nfs/dbraw/zinc/63/30/81/1138633081.db2.gz IVIBGHUHFGWMFQ-INIZCTEOSA-N 1 2 335.407 3.943 20 0 EHADLO O=C(NCc1ccc(F)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337692347 1138644736 /nfs/dbraw/zinc/64/47/36/1138644736.db2.gz POWOPQNXGCQDOO-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H](C)c1ccncc1F ZINC000337812212 1138673606 /nfs/dbraw/zinc/67/36/06/1138673606.db2.gz MZJUFNROHOCHNS-LBPRGKRZSA-N 1 2 339.370 3.541 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000337907493 1138695815 /nfs/dbraw/zinc/69/58/15/1138695815.db2.gz DOANRXQWIRZJRN-UHFFFAOYSA-N 1 2 347.397 3.709 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000135049839 1138722111 /nfs/dbraw/zinc/72/21/11/1138722111.db2.gz UERNFXWSFUJZON-CYBMUJFWSA-N 1 2 341.842 3.780 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000135049839 1138722112 /nfs/dbraw/zinc/72/21/12/1138722112.db2.gz UERNFXWSFUJZON-CYBMUJFWSA-N 1 2 341.842 3.780 20 0 EHADLO O=C(c1ccc(Cl)c2ncccc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000338174236 1138774742 /nfs/dbraw/zinc/77/47/42/1138774742.db2.gz FRRLNIFFAJIQCW-GFCCVEGCSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ccco2)n1)C(=O)NCC1CCCC1 ZINC000136024329 1138781597 /nfs/dbraw/zinc/78/15/97/1138781597.db2.gz BPXLFZGNCMWLFL-UHFFFAOYSA-N 1 2 347.484 3.578 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000338222126 1138792537 /nfs/dbraw/zinc/79/25/37/1138792537.db2.gz VLEIQBGWECYXOU-UHFFFAOYSA-N 1 2 335.517 3.634 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](C)C2)cs1)c1ccccc1F ZINC000338253552 1138802585 /nfs/dbraw/zinc/80/25/85/1138802585.db2.gz CDUXPYALRWPMAX-LBPRGKRZSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C)C2)cs1)c1ccccc1F ZINC000338253552 1138802591 /nfs/dbraw/zinc/80/25/91/1138802591.db2.gz CDUXPYALRWPMAX-LBPRGKRZSA-N 1 2 333.432 3.809 20 0 EHADLO O=C(c1cccc2c1CCC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338262085 1138805445 /nfs/dbraw/zinc/80/54/45/1138805445.db2.gz QYCRNNTWOVWJPU-IBGZPJMESA-N 1 2 340.854 3.615 20 0 EHADLO CCn1c(C)cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1C ZINC000338262780 1138805801 /nfs/dbraw/zinc/80/58/01/1138805801.db2.gz SVOPKMDFVIDUBX-SFHVURJKSA-N 1 2 345.874 3.565 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1OC ZINC000338281713 1138814655 /nfs/dbraw/zinc/81/46/55/1138814655.db2.gz NAYDBHJHNCAOJB-AWEZNQCLSA-N 1 2 346.475 3.681 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000338353183 1138849373 /nfs/dbraw/zinc/84/93/73/1138849373.db2.gz KDNFVOFJEMCIOX-QWQRMKEZSA-N 1 2 339.863 3.507 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000338353183 1138849378 /nfs/dbraw/zinc/84/93/78/1138849378.db2.gz KDNFVOFJEMCIOX-QWQRMKEZSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)(NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000338356656 1138852924 /nfs/dbraw/zinc/85/29/24/1138852924.db2.gz MJSJJFKQHYVTTM-UHFFFAOYSA-N 1 2 348.450 3.666 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000338388221 1138880744 /nfs/dbraw/zinc/88/07/44/1138880744.db2.gz SGSNPJGCBKJSHG-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000338388221 1138880749 /nfs/dbraw/zinc/88/07/49/1138880749.db2.gz SGSNPJGCBKJSHG-UHFFFAOYSA-N 1 2 346.421 3.834 20 0 EHADLO Cc1nn(C)cc1-c1csc(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000348486401 1138926980 /nfs/dbraw/zinc/92/69/80/1138926980.db2.gz FEPHNQALSFISGP-UHFFFAOYSA-N 1 2 349.463 3.688 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150856049 1138987414 /nfs/dbraw/zinc/98/74/14/1138987414.db2.gz VREVOVAGBUDEHF-HZPDHXFCSA-N 1 2 336.439 3.996 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)c3cccnc3)n2)ccc1F ZINC000151112955 1139009930 /nfs/dbraw/zinc/00/99/30/1139009930.db2.gz OHDSBEILAPIIRN-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001137248946 1139026813 /nfs/dbraw/zinc/02/68/13/1139026813.db2.gz NJVHOKPBMRJVFP-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001137248946 1139026821 /nfs/dbraw/zinc/02/68/21/1139026821.db2.gz NJVHOKPBMRJVFP-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO CSCCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000151770321 1139056258 /nfs/dbraw/zinc/05/62/58/1139056258.db2.gz OBCMTVWDXXNKHQ-UHFFFAOYSA-N 1 2 335.517 3.612 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nc(C(C)(C)C)no3)CC2)c1 ZINC000153041883 1139119943 /nfs/dbraw/zinc/11/99/43/1139119943.db2.gz HMYXGJQZNSTAHJ-UHFFFAOYSA-N 1 2 328.460 3.752 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC=CCCC1 ZINC000890044375 1139304566 /nfs/dbraw/zinc/30/45/66/1139304566.db2.gz CXRXJHZXMOIGEM-ZIAGYGMSSA-N 1 2 329.366 3.629 20 0 EHADLO Cc1cccn2cc(CC(=O)NCCC3CCC(F)(F)CC3)[nH+]c12 ZINC000890063336 1139309767 /nfs/dbraw/zinc/30/97/67/1139309767.db2.gz NWHFEYXTOCPJKJ-UHFFFAOYSA-N 1 2 335.398 3.517 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000826683208 1139313885 /nfs/dbraw/zinc/31/38/85/1139313885.db2.gz ULDLOLVWDBPDOR-ZDUSSCGKSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000826683208 1139313894 /nfs/dbraw/zinc/31/38/94/1139313894.db2.gz ULDLOLVWDBPDOR-ZDUSSCGKSA-N 1 2 340.370 3.683 20 0 EHADLO CCCN(CC(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264571 1139334234 /nfs/dbraw/zinc/33/42/34/1139334234.db2.gz GAUXHFKBPAFVJZ-SFHVURJKSA-N 1 2 328.460 3.702 20 0 EHADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000174013152 1139394600 /nfs/dbraw/zinc/39/46/00/1139394600.db2.gz JWMJIKXIBAPSLY-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000174013152 1139394606 /nfs/dbraw/zinc/39/46/06/1139394606.db2.gz JWMJIKXIBAPSLY-NWDGAFQWSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000176400624 1139555903 /nfs/dbraw/zinc/55/59/03/1139555903.db2.gz PERNBIVGLBXLGT-CWFSZBLJSA-N 1 2 333.435 3.592 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000176806053 1139579806 /nfs/dbraw/zinc/57/98/06/1139579806.db2.gz LYGAZQZRASIFCW-MRXNPFEDSA-N 1 2 329.893 3.690 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000176806053 1139579807 /nfs/dbraw/zinc/57/98/07/1139579807.db2.gz LYGAZQZRASIFCW-MRXNPFEDSA-N 1 2 329.893 3.690 20 0 EHADLO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000177149000 1139599879 /nfs/dbraw/zinc/59/98/79/1139599879.db2.gz SJHHPKBPBHFTAX-LBPRGKRZSA-N 1 2 348.393 3.530 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000177543597 1139625257 /nfs/dbraw/zinc/62/52/57/1139625257.db2.gz POYYNXMHXBNMEY-BEFAXECRSA-N 1 2 334.423 3.602 20 0 EHADLO C/C(=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000177546854 1139626031 /nfs/dbraw/zinc/62/60/31/1139626031.db2.gz RKDMZBNHPZRXEJ-KKPOOLQDSA-N 1 2 327.403 3.535 20 0 EHADLO CC[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1F ZINC000178129915 1139673148 /nfs/dbraw/zinc/67/31/48/1139673148.db2.gz VEFSFDNWZSRYLV-MSOLQXFVSA-N 1 2 332.394 3.835 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CCCCCCC1 ZINC000178376710 1139690297 /nfs/dbraw/zinc/69/02/97/1139690297.db2.gz UJLUWCFNFDQJMB-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000179161385 1139739461 /nfs/dbraw/zinc/73/94/61/1139739461.db2.gz GPGGTKSDGFTAKI-AWEZNQCLSA-N 1 2 349.504 3.564 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1 ZINC000179533405 1139763055 /nfs/dbraw/zinc/76/30/55/1139763055.db2.gz KYJZZBPGESCINM-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000179607674 1139768512 /nfs/dbraw/zinc/76/85/12/1139768512.db2.gz DWFYESJLRHBLMR-NSHDSACASA-N 1 2 325.359 3.720 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1ccc(F)cc1F ZINC000179638855 1139771450 /nfs/dbraw/zinc/77/14/50/1139771450.db2.gz XTHZPJPXRACRHX-HNNXBMFYSA-N 1 2 349.406 3.584 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181246969 1139894426 /nfs/dbraw/zinc/89/44/26/1139894426.db2.gz NUBMHKMOLVICBP-UHFFFAOYSA-N 1 2 325.790 3.911 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)no2)c(Br)c1 ZINC000181699011 1139925294 /nfs/dbraw/zinc/92/52/94/1139925294.db2.gz MLQWZBNTEQSPHK-SNVBAGLBSA-N 1 2 325.206 3.605 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000182192169 1139956924 /nfs/dbraw/zinc/95/69/24/1139956924.db2.gz VCCLZEQMVNJPDX-GFCCVEGCSA-N 1 2 343.379 3.980 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3csnn3)s2)cc1 ZINC000182232521 1139959971 /nfs/dbraw/zinc/95/99/71/1139959971.db2.gz KEWOZYVQAYFJDS-JTQLQIEISA-N 1 2 346.481 3.829 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182398021 1139969593 /nfs/dbraw/zinc/96/95/93/1139969593.db2.gz FWFOUDPEFBLMOJ-BBRMVZONSA-N 1 2 347.846 3.659 20 0 EHADLO CC[C@@H](C)C[N@H+](CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182533768 1139978498 /nfs/dbraw/zinc/97/84/98/1139978498.db2.gz UYUOCURKDOBJNC-CYBMUJFWSA-N 1 2 332.473 3.658 20 0 EHADLO CC[C@@H](C)C[N@@H+](CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182533768 1139978501 /nfs/dbraw/zinc/97/85/01/1139978501.db2.gz UYUOCURKDOBJNC-CYBMUJFWSA-N 1 2 332.473 3.658 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C12CCC2 ZINC000182940825 1140002635 /nfs/dbraw/zinc/00/26/35/1140002635.db2.gz CEURICYNNFHRDA-MOPGFXCFSA-N 1 2 341.455 3.722 20 0 EHADLO COc1ccc(NC(=O)C[C@H](C)Nc2ccc(C)[nH+]c2C)c(OC)c1 ZINC000183186256 1140019756 /nfs/dbraw/zinc/01/97/56/1140019756.db2.gz QYIUUMZIEKDWEQ-ZDUSSCGKSA-N 1 2 343.427 3.545 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)cnn1C ZINC000183409886 1140036256 /nfs/dbraw/zinc/03/62/56/1140036256.db2.gz WAIGDEBGKICYNN-SECBINFHSA-N 1 2 338.333 3.739 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC000183873246 1140063346 /nfs/dbraw/zinc/06/33/46/1140063346.db2.gz UIXIELGEPTYHSC-QWHCGFSZSA-N 1 2 331.416 3.508 20 0 EHADLO CSc1cccc(NC(=O)C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000183915139 1140065271 /nfs/dbraw/zinc/06/52/71/1140065271.db2.gz QDDNMNRDAUWXFU-UHFFFAOYSA-N 1 2 335.498 3.637 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)s1 ZINC000183920353 1140065366 /nfs/dbraw/zinc/06/53/66/1140065366.db2.gz WDOJCPQEEHBXKK-UHFFFAOYSA-N 1 2 347.469 3.641 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1nccn1CC(F)(F)F ZINC000184247200 1140090415 /nfs/dbraw/zinc/09/04/15/1140090415.db2.gz NKLLWSKZKUNBBJ-UHFFFAOYSA-N 1 2 343.740 3.598 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000184508590 1140105967 /nfs/dbraw/zinc/10/59/67/1140105967.db2.gz RFXFTGOELOCHCE-ZDUSSCGKSA-N 1 2 330.211 3.808 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000184509307 1140106078 /nfs/dbraw/zinc/10/60/78/1140106078.db2.gz RFXFTGOELOCHCE-CYBMUJFWSA-N 1 2 330.211 3.808 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)C)c1ccco1 ZINC000184512597 1140107070 /nfs/dbraw/zinc/10/70/70/1140107070.db2.gz GYIBKRYCOHXBQB-YOEHRIQHSA-N 1 2 330.428 3.707 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000184582585 1140109678 /nfs/dbraw/zinc/10/96/78/1140109678.db2.gz CUEMMUJZKSMMDQ-SUMWQHHRSA-N 1 2 331.460 3.648 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccco1 ZINC000184605785 1140111726 /nfs/dbraw/zinc/11/17/26/1140111726.db2.gz RHDJZLZNKAWFIC-ZDUSSCGKSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(SC)c1)c1ccc(C)o1 ZINC000184708392 1140116435 /nfs/dbraw/zinc/11/64/35/1140116435.db2.gz WYKHTINRUWDRBN-CJNGLKHVSA-N 1 2 348.468 3.614 20 0 EHADLO CCCCn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)n1 ZINC000184806529 1140120982 /nfs/dbraw/zinc/12/09/82/1140120982.db2.gz FQBKVIAMATWHNJ-UHFFFAOYSA-N 1 2 341.390 3.569 20 0 EHADLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886532 1140123942 /nfs/dbraw/zinc/12/39/42/1140123942.db2.gz XJHCTWVCWGNNBC-KKUMJFAQSA-N 1 2 329.444 3.686 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)s1 ZINC000185025416 1140131876 /nfs/dbraw/zinc/13/18/76/1140131876.db2.gz FIHJVWSLUNMNIV-CABCVRRESA-N 1 2 331.485 3.596 20 0 EHADLO CO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185785906 1140169850 /nfs/dbraw/zinc/16/98/50/1140169850.db2.gz PZTMJCKZFLJDJU-LBPRGKRZSA-N 1 2 335.835 3.810 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1OC ZINC000186413541 1140202472 /nfs/dbraw/zinc/20/24/72/1140202472.db2.gz VRIYBSXQECCQDV-UHFFFAOYSA-N 1 2 348.443 3.687 20 0 EHADLO COC(=O)c1coc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)c1 ZINC000186569441 1140211088 /nfs/dbraw/zinc/21/10/88/1140211088.db2.gz PZMJXHTUVLBCPJ-UHFFFAOYSA-N 1 2 325.767 3.884 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000186802700 1140222070 /nfs/dbraw/zinc/22/20/70/1140222070.db2.gz ZQNCIBMAIMAMQY-YJBOKZPZSA-N 1 2 330.472 3.592 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1F ZINC000190435942 1140403886 /nfs/dbraw/zinc/40/38/86/1140403886.db2.gz UYULWFZKQOICIY-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2-c2ccccc2)o1 ZINC000191502410 1140468186 /nfs/dbraw/zinc/46/81/86/1140468186.db2.gz PLNNDMGVWFCIAO-GOSISDBHSA-N 1 2 337.423 3.949 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2nccn2-c2ccccc2)o1 ZINC000191502410 1140468189 /nfs/dbraw/zinc/46/81/89/1140468189.db2.gz PLNNDMGVWFCIAO-GOSISDBHSA-N 1 2 337.423 3.949 20 0 EHADLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(F)cc1Cl ZINC000191668359 1140478728 /nfs/dbraw/zinc/47/87/28/1140478728.db2.gz MCPGKGDRCXOTAK-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO CCc1cc(Br)cc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001154523726 1140479900 /nfs/dbraw/zinc/47/99/00/1140479900.db2.gz IAFXAILSBLRIHG-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1OCC ZINC000191779970 1140484177 /nfs/dbraw/zinc/48/41/77/1140484177.db2.gz LAESTETYHNBUDP-UHFFFAOYSA-N 1 2 344.459 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(OCC)c1 ZINC000191866475 1140489695 /nfs/dbraw/zinc/48/96/95/1140489695.db2.gz WWCRKGUKPTXKRY-UHFFFAOYSA-N 1 2 344.459 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC000192250256 1140513936 /nfs/dbraw/zinc/51/39/36/1140513936.db2.gz JYKAVHJVNSIWDM-UHFFFAOYSA-N 1 2 349.862 3.660 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000192247247 1140514151 /nfs/dbraw/zinc/51/41/51/1140514151.db2.gz HPIRDCHDKPYDAL-UHFFFAOYSA-N 1 2 344.503 3.997 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(CC(C)C)n1 ZINC000192256936 1140515567 /nfs/dbraw/zinc/51/55/67/1140515567.db2.gz JJTPRRBWTRWROR-UHFFFAOYSA-N 1 2 348.516 3.653 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000192513240 1140536676 /nfs/dbraw/zinc/53/66/76/1140536676.db2.gz MXWWKJYGCDAFEJ-NRFANRHFSA-N 1 2 345.446 3.527 20 0 EHADLO Cc1nc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)sc1C ZINC000193151331 1140565038 /nfs/dbraw/zinc/56/50/38/1140565038.db2.gz FHAOLGMQBYYYIT-UHFFFAOYSA-N 1 2 336.888 3.897 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194162733 1140599679 /nfs/dbraw/zinc/59/96/79/1140599679.db2.gz AFTULCIOBHORMS-KZNAEPCWSA-N 1 2 330.497 3.609 20 0 EHADLO COc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1Cl ZINC000194411071 1140608529 /nfs/dbraw/zinc/60/85/29/1140608529.db2.gz JLQMBHSTTBAVNS-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO C[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000266103542 1140640880 /nfs/dbraw/zinc/64/08/80/1140640880.db2.gz LIXURKMXBDDFTF-AWEZNQCLSA-N 1 2 331.847 3.847 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635838 1140710500 /nfs/dbraw/zinc/71/05/00/1140710500.db2.gz RRWVPINFFJTIOW-RHSMWYFYSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000266635838 1140710507 /nfs/dbraw/zinc/71/05/07/1140710507.db2.gz RRWVPINFFJTIOW-RHSMWYFYSA-N 1 2 328.435 3.727 20 0 EHADLO CCc1cccc(CC)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266949725 1140742009 /nfs/dbraw/zinc/74/20/09/1140742009.db2.gz GKRSMOCBPUEDCX-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ncc(C(C)(C)C)o1 ZINC000267083883 1140756945 /nfs/dbraw/zinc/75/69/45/1140756945.db2.gz VMVHELDCSXHAHS-STQMWFEESA-N 1 2 341.455 3.903 20 0 EHADLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H]3c3ccc(Cl)cc3)cc12 ZINC000267312794 1140777630 /nfs/dbraw/zinc/77/76/30/1140777630.db2.gz DVLIQNBIVPSUHG-QGZVFWFLSA-N 1 2 326.831 3.877 20 0 EHADLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H]3c3ccc(Cl)cc3)cc12 ZINC000267312794 1140777635 /nfs/dbraw/zinc/77/76/35/1140777635.db2.gz DVLIQNBIVPSUHG-QGZVFWFLSA-N 1 2 326.831 3.877 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267420303 1140789265 /nfs/dbraw/zinc/78/92/65/1140789265.db2.gz RRXGXOGYTBPZST-ROUUACIJSA-N 1 2 343.496 3.726 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267441877 1140791848 /nfs/dbraw/zinc/79/18/48/1140791848.db2.gz JXIMVXZZYMESKN-AWEZNQCLSA-N 1 2 342.443 3.999 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267988447 1140862096 /nfs/dbraw/zinc/86/20/96/1140862096.db2.gz PCINKNUOZBNLGF-KGLIPLIRSA-N 1 2 347.459 3.683 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)c(OC)c1OC ZINC000268012407 1140866198 /nfs/dbraw/zinc/86/61/98/1140866198.db2.gz VBSWVJJCVDFANP-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)c(OC)c1OC ZINC000268012407 1140866211 /nfs/dbraw/zinc/86/62/11/1140866211.db2.gz VBSWVJJCVDFANP-UHFFFAOYSA-N 1 2 337.366 3.623 20 0 EHADLO COCc1nc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000268105721 1140884118 /nfs/dbraw/zinc/88/41/18/1140884118.db2.gz GLLVFPYQYDBHOW-HNNXBMFYSA-N 1 2 330.453 3.826 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000268148510 1140891207 /nfs/dbraw/zinc/89/12/07/1140891207.db2.gz ATCGTYAPWKIIQT-UHFFFAOYSA-N 1 2 341.484 3.824 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@H]1n1cc[nH+]c1 ZINC000268412974 1140935157 /nfs/dbraw/zinc/93/51/57/1140935157.db2.gz URHNKNUSRUTEPE-ZYHUDNBSSA-N 1 2 347.469 3.669 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)nnn1-c1ccc(C)cc1 ZINC000268882022 1141016827 /nfs/dbraw/zinc/01/68/27/1141016827.db2.gz MZJPEOWZZAIQNL-IFXJQAMLSA-N 1 2 348.450 3.928 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968618 1141036429 /nfs/dbraw/zinc/03/64/29/1141036429.db2.gz LCHJEPIOFOTMRE-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968618 1141036434 /nfs/dbraw/zinc/03/64/34/1141036434.db2.gz LCHJEPIOFOTMRE-NVXWUHKLSA-N 1 2 343.448 3.819 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000269097145 1141064169 /nfs/dbraw/zinc/06/41/69/1141064169.db2.gz NKEJIYWBPUCGOD-ONEGZZNKSA-N 1 2 338.238 3.752 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cs1 ZINC000269130702 1141069325 /nfs/dbraw/zinc/06/93/25/1141069325.db2.gz ZLEAKXGWFYOIDJ-XHDPSFHLSA-N 1 2 336.432 3.993 20 0 EHADLO CC(C)C[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000269799865 1141145632 /nfs/dbraw/zinc/14/56/32/1141145632.db2.gz KGXZYOVNZVVURH-HNNXBMFYSA-N 1 2 330.432 3.518 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)c(OC)c1 ZINC000270578353 1141241445 /nfs/dbraw/zinc/24/14/45/1141241445.db2.gz IBUIOLWOGPJBOG-MRXNPFEDSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)c(OC)c1 ZINC000270578353 1141241449 /nfs/dbraw/zinc/24/14/49/1141241449.db2.gz IBUIOLWOGPJBOG-MRXNPFEDSA-N 1 2 328.412 3.906 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000271043242 1141299749 /nfs/dbraw/zinc/29/97/49/1141299749.db2.gz ONGFBKBIMCAUOG-LJQANCHMSA-N 1 2 327.472 3.828 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000271043242 1141299754 /nfs/dbraw/zinc/29/97/54/1141299754.db2.gz ONGFBKBIMCAUOG-LJQANCHMSA-N 1 2 327.472 3.828 20 0 EHADLO CC(C)c1nc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000271061360 1141302271 /nfs/dbraw/zinc/30/22/71/1141302271.db2.gz GTXXPASAHAZEBB-UHFFFAOYSA-N 1 2 335.411 3.720 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc(OC)c1 ZINC000271084397 1141305564 /nfs/dbraw/zinc/30/55/64/1141305564.db2.gz YKHIKOUSAMDBLG-KRWDZBQOSA-N 1 2 348.468 3.644 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc(OC)c1 ZINC000271084397 1141305568 /nfs/dbraw/zinc/30/55/68/1141305568.db2.gz YKHIKOUSAMDBLG-KRWDZBQOSA-N 1 2 348.468 3.644 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247846 1141333192 /nfs/dbraw/zinc/33/31/92/1141333192.db2.gz CRMDLSMYLDTDBK-UNMCSNQZSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cnc2ccccc2c1)c1ccccc1 ZINC000271247846 1141333198 /nfs/dbraw/zinc/33/31/98/1141333198.db2.gz CRMDLSMYLDTDBK-UNMCSNQZSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000271298331 1141341914 /nfs/dbraw/zinc/34/19/14/1141341914.db2.gz UEKWYQQAPKEIGH-RTBURBONSA-N 1 2 337.423 3.629 20 0 EHADLO COC1(c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000273902182 1141444013 /nfs/dbraw/zinc/44/40/13/1141444013.db2.gz FTZKVYWXXHWMML-INIZCTEOSA-N 1 2 327.428 3.822 20 0 EHADLO COC1(c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000273902182 1141444014 /nfs/dbraw/zinc/44/40/14/1141444014.db2.gz FTZKVYWXXHWMML-INIZCTEOSA-N 1 2 327.428 3.822 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cn1 ZINC000274209124 1141485881 /nfs/dbraw/zinc/48/58/81/1141485881.db2.gz SQJILTGOUBESEX-HNNXBMFYSA-N 1 2 343.496 3.786 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)[nH]n1 ZINC000274332177 1141498254 /nfs/dbraw/zinc/49/82/54/1141498254.db2.gz RLIBQDPLRGYIIK-UHFFFAOYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)n[nH]1 ZINC000274332177 1141498259 /nfs/dbraw/zinc/49/82/59/1141498259.db2.gz RLIBQDPLRGYIIK-UHFFFAOYSA-N 1 2 339.468 3.616 20 0 EHADLO COCc1c2ccccc2oc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000339118540 1141502438 /nfs/dbraw/zinc/50/24/38/1141502438.db2.gz IKLRXZFFTUPJIS-UHFFFAOYSA-N 1 2 335.363 3.788 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3conc3Cc3ccccc3)cn21 ZINC000339250448 1141540477 /nfs/dbraw/zinc/54/04/77/1141540477.db2.gz UGYOWXWBNRLHPN-UHFFFAOYSA-N 1 2 332.407 3.511 20 0 EHADLO CCc1nc2ccccc2c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000283194758 1141571317 /nfs/dbraw/zinc/57/13/17/1141571317.db2.gz YZATZRSYGMLSQK-UHFFFAOYSA-N 1 2 348.450 3.779 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842463 1141594345 /nfs/dbraw/zinc/59/43/45/1141594345.db2.gz HXTKLEUJJOYGBQ-LBPRGKRZSA-N 1 2 336.357 3.587 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842463 1141594349 /nfs/dbraw/zinc/59/43/49/1141594349.db2.gz HXTKLEUJJOYGBQ-LBPRGKRZSA-N 1 2 336.357 3.587 20 0 EHADLO Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c21 ZINC000348935794 1141612212 /nfs/dbraw/zinc/61/22/12/1141612212.db2.gz MHXROJHGWFUPCN-UHFFFAOYSA-N 1 2 348.381 3.982 20 0 EHADLO CCOC(=O)C[N@H+](CCc1csc(C)n1)[C@@H](C)c1ccccc1 ZINC000348959886 1141615178 /nfs/dbraw/zinc/61/51/78/1141615178.db2.gz XALJQPLRMROQGM-AWEZNQCLSA-N 1 2 332.469 3.620 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1csc(C)n1)[C@@H](C)c1ccccc1 ZINC000348959886 1141615182 /nfs/dbraw/zinc/61/51/82/1141615182.db2.gz XALJQPLRMROQGM-AWEZNQCLSA-N 1 2 332.469 3.620 20 0 EHADLO CC(C)Cc1ncc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000349009171 1141621707 /nfs/dbraw/zinc/62/17/07/1141621707.db2.gz JBJNNQDDHJIKQH-KRWDZBQOSA-N 1 2 346.862 3.570 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1OC ZINC000072058326 216000616 /nfs/dbraw/zinc/00/06/16/216000616.db2.gz SSBYKMQEPDUZMU-ONNFQVAWSA-N 1 2 349.390 3.746 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c(C)c1 ZINC000022469548 212299624 /nfs/dbraw/zinc/29/96/24/212299624.db2.gz IADZKOGRYQJNQR-GOSISDBHSA-N 1 2 337.398 3.695 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)s1 ZINC000022291452 212288810 /nfs/dbraw/zinc/28/88/10/212288810.db2.gz HIJAJBQYXURTTI-UHFFFAOYSA-N 1 2 335.498 3.997 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000255976221 244054247 /nfs/dbraw/zinc/05/42/47/244054247.db2.gz HGLSYNPDUCYKLP-AWEZNQCLSA-N 1 2 342.277 3.905 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000601097780 478654147 /nfs/dbraw/zinc/65/41/47/478654147.db2.gz DIYRVYDYDZGXCZ-ZDUSSCGKSA-N 1 2 348.476 3.507 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCCOCC1 ZINC000363379157 526162211 /nfs/dbraw/zinc/16/22/11/526162211.db2.gz LOCKQHLIPFYICU-NSHDSACASA-N 1 2 341.333 3.539 20 0 EHADLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCCOCC1 ZINC000363379157 526162213 /nfs/dbraw/zinc/16/22/13/526162213.db2.gz LOCKQHLIPFYICU-NSHDSACASA-N 1 2 341.333 3.539 20 0 EHADLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1nc3cc(F)ccc3o1)CCCC2 ZINC000275767162 564010055 /nfs/dbraw/zinc/01/00/55/564010055.db2.gz XKYVXNRSENEMKY-INIZCTEOSA-N 1 2 340.402 3.921 20 0 EHADLO Cc1ccc(Oc2ccc(NCc3cn4ccccc4[nH+]3)cc2)nn1 ZINC000084493308 564068223 /nfs/dbraw/zinc/06/82/23/564068223.db2.gz NGHMJBAQXHAGNF-UHFFFAOYSA-N 1 2 331.379 3.837 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1O ZINC000225503169 564135632 /nfs/dbraw/zinc/13/56/32/564135632.db2.gz ONRKNRMPWVMLQE-OAHLLOKOSA-N 1 2 343.427 3.779 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1O ZINC000225503169 564135633 /nfs/dbraw/zinc/13/56/33/564135633.db2.gz ONRKNRMPWVMLQE-OAHLLOKOSA-N 1 2 343.427 3.779 20 0 EHADLO c1csc([C@@H]2CCCN2c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000738451076 599258224 /nfs/dbraw/zinc/25/82/24/599258224.db2.gz BNMRTFRPBKBCFI-HNNXBMFYSA-N 1 2 348.435 3.818 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413432 606173461 /nfs/dbraw/zinc/17/34/61/606173461.db2.gz PVONXBZBMUQJTA-VXGBXAGGSA-N 1 2 340.431 3.564 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000248607396 1032058611 /nfs/dbraw/zinc/05/86/11/1032058611.db2.gz GIXVQLVXPGOQGK-ONIAQPFYSA-N 1 2 348.487 3.504 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000248607396 1032058624 /nfs/dbraw/zinc/05/86/24/1032058624.db2.gz GIXVQLVXPGOQGK-ONIAQPFYSA-N 1 2 348.487 3.504 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001602928241 971892407 /nfs/dbraw/zinc/89/24/07/971892407.db2.gz INGDCJDXGIKWMM-KRWDZBQOSA-N 1 2 341.455 3.716 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001602928241 971892411 /nfs/dbraw/zinc/89/24/11/971892411.db2.gz INGDCJDXGIKWMM-KRWDZBQOSA-N 1 2 341.455 3.716 20 0 EHADLO O=C(c1ccsc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528315701 1032063525 /nfs/dbraw/zinc/06/35/25/1032063525.db2.gz HHJKLMNIBHZUDB-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000620109025 1125476732 /nfs/dbraw/zinc/47/67/32/1125476732.db2.gz QLAGITSDVMIBNZ-CQSZACIVSA-N 1 2 342.468 3.798 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000620109025 1125476735 /nfs/dbraw/zinc/47/67/35/1125476735.db2.gz QLAGITSDVMIBNZ-CQSZACIVSA-N 1 2 342.468 3.798 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000449032594 1032074178 /nfs/dbraw/zinc/07/41/78/1032074178.db2.gz XILAPYLLCHPIIT-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccn1 ZINC000584298970 1032081899 /nfs/dbraw/zinc/08/18/99/1032081899.db2.gz DHZUSBPGWLHUBT-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO COCC1(C)CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000537996563 1032085785 /nfs/dbraw/zinc/08/57/85/1032085785.db2.gz ZPWQEARSRZJRJD-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)n2)c1 ZINC000182303936 1032086836 /nfs/dbraw/zinc/08/68/36/1032086836.db2.gz URDNFAOGEJZLHK-CYBMUJFWSA-N 1 2 337.379 3.625 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339379345 1014298390 /nfs/dbraw/zinc/29/83/90/1014298390.db2.gz SWIZQIJKZYHDMI-OCCSQVGLSA-N 1 2 347.459 3.716 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3F)C2)sc1C ZINC000339379345 1014298400 /nfs/dbraw/zinc/29/84/00/1014298400.db2.gz SWIZQIJKZYHDMI-OCCSQVGLSA-N 1 2 347.459 3.716 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)no1 ZINC000186693379 1014307019 /nfs/dbraw/zinc/30/70/19/1014307019.db2.gz OYDXLKQBFKGJND-NRFANRHFSA-N 1 2 347.418 3.676 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)no1 ZINC000186693379 1014307030 /nfs/dbraw/zinc/30/70/30/1014307030.db2.gz OYDXLKQBFKGJND-NRFANRHFSA-N 1 2 347.418 3.676 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@H]3c3nccs3)nc[nH+]2)C1 ZINC001167048867 1014351967 /nfs/dbraw/zinc/35/19/67/1014351967.db2.gz UCMKTBIMUPPVGM-KGLIPLIRSA-N 1 2 329.473 3.511 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@H]3c3nccs3)[nH+]cn2)C1 ZINC001167048867 1014351975 /nfs/dbraw/zinc/35/19/75/1014351975.db2.gz UCMKTBIMUPPVGM-KGLIPLIRSA-N 1 2 329.473 3.511 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000510040290 1014433674 /nfs/dbraw/zinc/43/36/74/1014433674.db2.gz BEQYRKMUWASCBM-IYARVYRRSA-N 1 2 325.456 3.951 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000654825378 1014443358 /nfs/dbraw/zinc/44/33/58/1014443358.db2.gz ZKPWHOMUKBIZNC-NJAFHUGGSA-N 1 2 347.503 3.565 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000654825378 1014443361 /nfs/dbraw/zinc/44/33/61/1014443361.db2.gz ZKPWHOMUKBIZNC-NJAFHUGGSA-N 1 2 347.503 3.565 20 0 EHADLO FC(F)(F)[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000339457534 1014519120 /nfs/dbraw/zinc/51/91/20/1014519120.db2.gz XSFISSZGZNMSQO-ZDUSSCGKSA-N 1 2 338.358 3.722 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000339457447 1014520131 /nfs/dbraw/zinc/52/01/31/1014520131.db2.gz LODDNHCQVKRYGK-INIZCTEOSA-N 1 2 344.377 3.577 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000339457447 1014520137 /nfs/dbraw/zinc/52/01/37/1014520137.db2.gz LODDNHCQVKRYGK-INIZCTEOSA-N 1 2 344.377 3.577 20 0 EHADLO CC[C@@H]1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497465 1032095529 /nfs/dbraw/zinc/09/55/29/1032095529.db2.gz KXJKTXUYYQNKNW-SJLPKXTDSA-N 1 2 341.455 3.863 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+]Cc3ccsc3)nn2)c(Cl)c1 ZINC000339506723 1014607602 /nfs/dbraw/zinc/60/76/02/1014607602.db2.gz NTMHSLOQLOIHQQ-UHFFFAOYSA-N 1 2 339.251 3.925 20 0 EHADLO O=C(/C=C\CCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001625797116 1014925410 /nfs/dbraw/zinc/92/54/10/1014925410.db2.gz FGLCLBMGRUNVCY-UITAMQMPSA-N 1 2 331.419 3.678 20 0 EHADLO Fc1ccc2nc(C[N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)sc2c1 ZINC000683200950 1014927322 /nfs/dbraw/zinc/92/73/22/1014927322.db2.gz HHHAUPCEVKDAOU-LLVKDONJSA-N 1 2 348.365 3.979 20 0 EHADLO Fc1ccc2nc(C[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)sc2c1 ZINC000683200950 1014927330 /nfs/dbraw/zinc/92/73/30/1014927330.db2.gz HHHAUPCEVKDAOU-LLVKDONJSA-N 1 2 348.365 3.979 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000620158838 1125488156 /nfs/dbraw/zinc/48/81/56/1125488156.db2.gz UWCFRMSHRICQKZ-CHWSQXEVSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000620158838 1125488161 /nfs/dbraw/zinc/48/81/61/1125488161.db2.gz UWCFRMSHRICQKZ-CHWSQXEVSA-N 1 2 339.357 3.537 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000339595160 1015130430 /nfs/dbraw/zinc/13/04/30/1015130430.db2.gz PFMGTCXCDSKBDR-UHFFFAOYSA-N 1 2 329.363 3.719 20 0 EHADLO CN(Cc1c[nH+]cn1Cc1ccccc1)Cc1c(F)cccc1F ZINC000339597458 1015145836 /nfs/dbraw/zinc/14/58/36/1015145836.db2.gz ZUBDALVFLZLBRO-UHFFFAOYSA-N 1 2 327.378 3.842 20 0 EHADLO Cc1ccc2[nH]c(-c3ccccc3NC(=O)C[NH+]3CC(C)(C)C3)nc2c1 ZINC000655161936 1015170275 /nfs/dbraw/zinc/17/02/75/1015170275.db2.gz GNAFKKFYTGGJCI-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO Cc1ccc2nc(-c3ccccc3NC(=O)C[NH+]3CC(C)(C)C3)[nH]c2c1 ZINC000655161936 1015170278 /nfs/dbraw/zinc/17/02/78/1015170278.db2.gz GNAFKKFYTGGJCI-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO c1nc(-c2ccc(CNc3cccc(Cc4ccncc4)[nH+]3)cc2)no1 ZINC001167078447 1015202269 /nfs/dbraw/zinc/20/22/69/1015202269.db2.gz XPPJHLFAEPTOCL-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO c1ccc([C@H]2c3ccccc3CC[N@H+]2Cc2nnc3n2CCCC3)cc1 ZINC000339608513 1015224513 /nfs/dbraw/zinc/22/45/13/1015224513.db2.gz OBYWNZSCJANRHX-QFIPXVFZSA-N 1 2 344.462 3.762 20 0 EHADLO c1ccc([C@H]2c3ccccc3CC[N@@H+]2Cc2nnc3n2CCCC3)cc1 ZINC000339608513 1015224521 /nfs/dbraw/zinc/22/45/21/1015224521.db2.gz OBYWNZSCJANRHX-QFIPXVFZSA-N 1 2 344.462 3.762 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2sc(Cl)nc2Cl)[C@H]1Cc1ccccc1 ZINC001139958822 1015269866 /nfs/dbraw/zinc/26/98/66/1015269866.db2.gz NRLMJOCZLGTQNS-NWDGAFQWSA-N 1 2 343.279 3.628 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2sc(Cl)nc2Cl)[C@H]1Cc1ccccc1 ZINC001139958822 1015269871 /nfs/dbraw/zinc/26/98/71/1015269871.db2.gz NRLMJOCZLGTQNS-NWDGAFQWSA-N 1 2 343.279 3.628 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC000655340624 1015375262 /nfs/dbraw/zinc/37/52/62/1015375262.db2.gz FESRBICYFHIQNT-CQSZACIVSA-N 1 2 345.418 3.648 20 0 EHADLO COc1cc(Br)c(C[N@H+]2CC=C(C)CC2)cc1OC ZINC000339628141 1015412811 /nfs/dbraw/zinc/41/28/11/1015412811.db2.gz MHVYNKWNEZBELM-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO COc1cc(Br)c(C[N@@H+]2CC=C(C)CC2)cc1OC ZINC000339628141 1015412818 /nfs/dbraw/zinc/41/28/18/1015412818.db2.gz MHVYNKWNEZBELM-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO CCc1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798351 989365382 /nfs/dbraw/zinc/36/53/82/989365382.db2.gz BLHBMPURNZJGPH-HOTGVXAUSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798351 989365388 /nfs/dbraw/zinc/36/53/88/989365388.db2.gz BLHBMPURNZJGPH-HOTGVXAUSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798351 989365397 /nfs/dbraw/zinc/36/53/97/989365397.db2.gz BLHBMPURNZJGPH-HOTGVXAUSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798351 989365408 /nfs/dbraw/zinc/36/54/08/989365408.db2.gz BLHBMPURNZJGPH-HOTGVXAUSA-N 1 2 348.487 3.627 20 0 EHADLO COc1cc(C)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000547720487 1015533504 /nfs/dbraw/zinc/53/35/04/1015533504.db2.gz FRLVNHRSKPHCLD-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1Cc2ccccc21 ZINC000339847192 1015741940 /nfs/dbraw/zinc/74/19/40/1015741940.db2.gz OWYSFHBXMLWGNL-SFHVURJKSA-N 1 2 341.414 3.880 20 0 EHADLO CC[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000045572007 1015771455 /nfs/dbraw/zinc/77/14/55/1015771455.db2.gz RBJKBDBOUSHQBB-HNNXBMFYSA-N 1 2 332.835 3.597 20 0 EHADLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2nccc(C)c2c1 ZINC000339904691 1015873028 /nfs/dbraw/zinc/87/30/28/1015873028.db2.gz GVSAPXHCEMWJGI-QGZVFWFLSA-N 1 2 347.418 3.540 20 0 EHADLO O=C(Nc1nc2c(s1)CCCC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047298006 1015891477 /nfs/dbraw/zinc/89/14/77/1015891477.db2.gz APGCDNXVTXRMMO-UHFFFAOYSA-N 1 2 338.436 3.519 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000154899005 1015916979 /nfs/dbraw/zinc/91/69/79/1015916979.db2.gz SGJTWBDXGCJTTJ-PMACEKPBSA-N 1 2 333.435 3.689 20 0 EHADLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000180790906 1016040099 /nfs/dbraw/zinc/04/00/99/1016040099.db2.gz DHHLFCQFCYZBMP-UHFFFAOYSA-N 1 2 344.480 3.849 20 0 EHADLO CC(C)c1cc2c(ncnc2N2CCC(n3cc[nH+]c3)CC2)s1 ZINC001167126853 1016212865 /nfs/dbraw/zinc/21/28/65/1016212865.db2.gz SJEPLSHPEAQUTE-UHFFFAOYSA-N 1 2 327.457 3.853 20 0 EHADLO CC(C)([NH2+]Cc1coc(-c2cccs2)n1)C(=O)NCC1CCCC1 ZINC000155166281 1016239118 /nfs/dbraw/zinc/23/91/18/1016239118.db2.gz GGSZLTOWLRKYGZ-UHFFFAOYSA-N 1 2 347.484 3.578 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433841 1016248459 /nfs/dbraw/zinc/24/84/59/1016248459.db2.gz ZPCPFIIRKOACEJ-IAGOWNOFSA-N 1 2 340.471 3.652 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)s1)C1CCCCC1 ZINC000683351170 1016308583 /nfs/dbraw/zinc/30/85/83/1016308583.db2.gz WHRNGKZRMTYHOG-UHFFFAOYSA-N 1 2 348.434 3.990 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)s1)C1CCCCC1 ZINC000683351170 1016308589 /nfs/dbraw/zinc/30/85/89/1016308589.db2.gz WHRNGKZRMTYHOG-UHFFFAOYSA-N 1 2 348.434 3.990 20 0 EHADLO CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001594419345 999565679 /nfs/dbraw/zinc/56/56/79/999565679.db2.gz YAEFHVLIVGNSFL-GOSISDBHSA-N 1 2 348.462 3.610 20 0 EHADLO CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001594419345 999565681 /nfs/dbraw/zinc/56/56/81/999565681.db2.gz YAEFHVLIVGNSFL-GOSISDBHSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccoc3)n2)C1 ZINC000177613557 1016397959 /nfs/dbraw/zinc/39/79/59/1016397959.db2.gz ZKHIFTFQCVSNEQ-ZDUSSCGKSA-N 1 2 333.457 3.539 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccoc3)n2)C1 ZINC000177613557 1016397971 /nfs/dbraw/zinc/39/79/71/1016397971.db2.gz ZKHIFTFQCVSNEQ-ZDUSSCGKSA-N 1 2 333.457 3.539 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127751922 1016538822 /nfs/dbraw/zinc/53/88/22/1016538822.db2.gz UZKDKLZDZMDMKW-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127751922 1016538835 /nfs/dbraw/zinc/53/88/35/1016538835.db2.gz UZKDKLZDZMDMKW-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2cc3c(c(Cl)c2)OCO3)c(C)[nH+]1 ZINC000547810147 1016574515 /nfs/dbraw/zinc/57/45/15/1016574515.db2.gz JWLQULJGTAXMMG-QFIPXVFZSA-N 1 2 337.828 3.529 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3C[C@@H]3c3ccccc3)c12 ZINC000326702532 1016576774 /nfs/dbraw/zinc/57/67/74/1016576774.db2.gz VKIBEEREJGLGCB-AEFFLSMTSA-N 1 2 327.391 3.784 20 0 EHADLO c1nc2ccccn2c1C[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC001203153263 1016683933 /nfs/dbraw/zinc/68/39/33/1016683933.db2.gz FFJJWPTZDKIMAU-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO c1nc2ccccn2c1C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001203153263 1016683944 /nfs/dbraw/zinc/68/39/44/1016683944.db2.gz FFJJWPTZDKIMAU-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)O1 ZINC000340218480 1016718158 /nfs/dbraw/zinc/71/81/58/1016718158.db2.gz PNERUMIFODLIBS-QGZVFWFLSA-N 1 2 337.423 3.741 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)O1 ZINC000340218480 1016718169 /nfs/dbraw/zinc/71/81/69/1016718169.db2.gz PNERUMIFODLIBS-QGZVFWFLSA-N 1 2 337.423 3.741 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)o1 ZINC000340218480 1016718176 /nfs/dbraw/zinc/71/81/76/1016718176.db2.gz PNERUMIFODLIBS-QGZVFWFLSA-N 1 2 337.423 3.741 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)o1 ZINC000340218480 1016718189 /nfs/dbraw/zinc/71/81/89/1016718189.db2.gz PNERUMIFODLIBS-QGZVFWFLSA-N 1 2 337.423 3.741 20 0 EHADLO Cc1ccc(Nc2nc(C[NH+]3CCC4(CC3)OCCO4)cs2)cc1 ZINC000026938816 1016737798 /nfs/dbraw/zinc/73/77/98/1016737798.db2.gz HPNCHUWYGJDQSY-UHFFFAOYSA-N 1 2 345.468 3.534 20 0 EHADLO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000512169301 1043577062 /nfs/dbraw/zinc/57/70/62/1043577062.db2.gz GKYBWFIIUSKJHP-LBPRGKRZSA-N 1 2 325.250 3.652 20 0 EHADLO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000512169301 1043577071 /nfs/dbraw/zinc/57/70/71/1043577071.db2.gz GKYBWFIIUSKJHP-LBPRGKRZSA-N 1 2 325.250 3.652 20 0 EHADLO Cc1ccc(-c2cnc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)o2)cc1 ZINC000155416851 1016866548 /nfs/dbraw/zinc/86/65/48/1016866548.db2.gz LGHZFRBPSFKPDU-UHFFFAOYSA-N 1 2 343.471 3.681 20 0 EHADLO CCOCOc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000782968898 1016896040 /nfs/dbraw/zinc/89/60/40/1016896040.db2.gz ZYXAGVZUUSHZBR-ZDUSSCGKSA-N 1 2 336.457 3.513 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc(O)c1 ZINC000181492222 1016926684 /nfs/dbraw/zinc/92/66/84/1016926684.db2.gz NWWPOUQPLGVWNG-SECBINFHSA-N 1 2 349.312 3.710 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(O)c1 ZINC000181566935 1016927741 /nfs/dbraw/zinc/92/77/41/1016927741.db2.gz XDUMKHYNFUXHJR-NSHDSACASA-N 1 2 329.787 3.946 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cnc3ccccc3c1)C2 ZINC000376677102 1016971146 /nfs/dbraw/zinc/97/11/46/1016971146.db2.gz BHOYPULJISRXIU-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cnc3ccccc3c1)CC2 ZINC000376677102 1016971153 /nfs/dbraw/zinc/97/11/53/1016971153.db2.gz BHOYPULJISRXIU-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO Fc1cccc(C2CC([NH2+][C@@H](c3cccs3)c3nnc[nH]3)C2)c1 ZINC000340374756 1017064558 /nfs/dbraw/zinc/06/45/58/1017064558.db2.gz FCEQKRBYUGCLOO-PXCJXSSVSA-N 1 2 328.416 3.631 20 0 EHADLO CC(C)COc1ccccc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000449073972 1032162111 /nfs/dbraw/zinc/16/21/11/1032162111.db2.gz JZNBLPYQWCJPOR-UHFFFAOYSA-N 1 2 336.439 3.592 20 0 EHADLO COC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528378125 1032186540 /nfs/dbraw/zinc/18/65/40/1032186540.db2.gz CNSCVFBYLAZQMW-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528378125 1032186543 /nfs/dbraw/zinc/18/65/43/1032186543.db2.gz CNSCVFBYLAZQMW-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000536745309 1032227810 /nfs/dbraw/zinc/22/78/10/1032227810.db2.gz OBLOOSYRNOQKNR-VXGBXAGGSA-N 1 2 325.250 3.651 20 0 EHADLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000536745309 1032227823 /nfs/dbraw/zinc/22/78/23/1032227823.db2.gz OBLOOSYRNOQKNR-VXGBXAGGSA-N 1 2 325.250 3.651 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)oc2C)cc1O ZINC000080964172 1032232414 /nfs/dbraw/zinc/23/24/14/1032232414.db2.gz QSEYEJVPODHJHJ-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)oc2C)cc1O ZINC000080964172 1032232425 /nfs/dbraw/zinc/23/24/25/1032232425.db2.gz QSEYEJVPODHJHJ-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nc(C3CCCCC3)no2)[C@@H]1SC ZINC000459524535 1032243171 /nfs/dbraw/zinc/24/31/71/1032243171.db2.gz NQZOELNJWYHIEE-MHEUCROKSA-N 1 2 339.505 3.677 20 0 EHADLO C[NH+](C)Cc1cc(-c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1F ZINC000904805457 1032258400 /nfs/dbraw/zinc/25/84/00/1032258400.db2.gz APUWGLISTBCKBP-UHFFFAOYSA-N 1 2 341.835 3.611 20 0 EHADLO CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000081071399 1032259064 /nfs/dbraw/zinc/25/90/64/1032259064.db2.gz SICDOJAXMLFLLA-JKSUJKDBSA-N 1 2 342.443 3.614 20 0 EHADLO COC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C)o1 ZINC000449174419 1032267412 /nfs/dbraw/zinc/26/74/12/1032267412.db2.gz HLTOKPGMTPDQBT-OLZOCXBDSA-N 1 2 325.330 3.970 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)n1 ZINC000184359592 1032286722 /nfs/dbraw/zinc/28/67/22/1032286722.db2.gz SJOLILPXRSWLPS-OAHLLOKOSA-N 1 2 343.496 3.533 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343764461 1032288751 /nfs/dbraw/zinc/28/87/51/1032288751.db2.gz LVJOCORXTNHIKL-VIFPVBQESA-N 1 2 341.242 3.758 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc(Cl)c1O ZINC000459567672 1032293576 /nfs/dbraw/zinc/29/35/76/1032293576.db2.gz VGTITQBIKACCMP-YOEHRIQHSA-N 1 2 339.863 3.834 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc(Cl)c1O ZINC000459567672 1032293585 /nfs/dbraw/zinc/29/35/85/1032293585.db2.gz VGTITQBIKACCMP-YOEHRIQHSA-N 1 2 339.863 3.834 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184876383 1032327173 /nfs/dbraw/zinc/32/71/73/1032327173.db2.gz BUAZZGIUUPSHDW-HLLBOEOZSA-N 1 2 341.455 3.687 20 0 EHADLO CCCc1nc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)no1 ZINC000538389259 1032334391 /nfs/dbraw/zinc/33/43/91/1032334391.db2.gz CEVQLNWMGLSWTR-OAHLLOKOSA-N 1 2 335.423 3.745 20 0 EHADLO Clc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000459625349 1032337755 /nfs/dbraw/zinc/33/77/55/1032337755.db2.gz UWEIWEDDKMBZAA-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nc2c(s1)CCC2 ZINC000459631881 1032346921 /nfs/dbraw/zinc/34/69/21/1032346921.db2.gz LQGBVCYHJAIWQV-SECBINFHSA-N 1 2 327.375 3.896 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528477339 1032349831 /nfs/dbraw/zinc/34/98/31/1032349831.db2.gz QGFODLJIUURITI-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449249284 1032354448 /nfs/dbraw/zinc/35/44/48/1032354448.db2.gz IVDLUZCMZXUKGD-ZWKOTPCHSA-N 1 2 345.483 3.631 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449249283 1032354572 /nfs/dbraw/zinc/35/45/72/1032354572.db2.gz IVDLUZCMZXUKGD-QZTJIDSGSA-N 1 2 345.483 3.631 20 0 EHADLO C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000081799916 1032366662 /nfs/dbraw/zinc/36/66/62/1032366662.db2.gz WGYDRJPNOPNALY-NWDGAFQWSA-N 1 2 340.254 3.746 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C3(C)CC3)c(=S)n2C)cc1 ZINC000176834257 1032374785 /nfs/dbraw/zinc/37/47/85/1032374785.db2.gz JHSPSJBQVUZZIX-ZDUSSCGKSA-N 1 2 346.500 3.705 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C3(C)CC3)c(=S)n2C)cc1 ZINC000176834257 1032374796 /nfs/dbraw/zinc/37/47/96/1032374796.db2.gz JHSPSJBQVUZZIX-ZDUSSCGKSA-N 1 2 346.500 3.705 20 0 EHADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000667083514 1032379196 /nfs/dbraw/zinc/37/91/96/1032379196.db2.gz CVJBDBSVUYWDDW-FVQBIDKESA-N 1 2 337.423 3.880 20 0 EHADLO CC1(C)CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCc2ccccc21 ZINC000666131708 1032387859 /nfs/dbraw/zinc/38/78/59/1032387859.db2.gz HWRGNTUVKAVQED-UHFFFAOYSA-N 1 2 334.423 3.702 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278757289 1032390166 /nfs/dbraw/zinc/39/01/66/1032390166.db2.gz WYBWPLBGMGWSQV-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccsc3)s2)[nH]1 ZINC000459667953 1032397473 /nfs/dbraw/zinc/39/74/73/1032397473.db2.gz DMKZDNBGZHRHOV-UHFFFAOYSA-N 1 2 333.486 3.577 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccncc1F ZINC000449260880 1032408053 /nfs/dbraw/zinc/40/80/53/1032408053.db2.gz YZCBWNAQTIOLBY-XYPHTWIQSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccncc1F ZINC000449260880 1032408060 /nfs/dbraw/zinc/40/80/60/1032408060.db2.gz YZCBWNAQTIOLBY-XYPHTWIQSA-N 1 2 334.435 3.696 20 0 EHADLO OC[C@H]([NH2+]Cc1ccncc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000449297847 1032415342 /nfs/dbraw/zinc/41/53/42/1032415342.db2.gz HYXJMETXRHJUOG-AWEZNQCLSA-N 1 2 348.727 3.716 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccncc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000449297848 1032416156 /nfs/dbraw/zinc/41/61/56/1032416156.db2.gz HYXJMETXRHJUOG-CQSZACIVSA-N 1 2 348.727 3.716 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536913237 1032424951 /nfs/dbraw/zinc/42/49/51/1032424951.db2.gz BHRMXQJYBNYKHN-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536913237 1032424965 /nfs/dbraw/zinc/42/49/65/1032424965.db2.gz BHRMXQJYBNYKHN-CVEARBPZSA-N 1 2 338.854 3.921 20 0 EHADLO Cc1csc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000185523960 1032438138 /nfs/dbraw/zinc/43/81/38/1032438138.db2.gz PQUGQIXLSKZZLR-ZDUSSCGKSA-N 1 2 348.447 3.501 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188212757 1017083408 /nfs/dbraw/zinc/08/34/08/1017083408.db2.gz FCYBJADXZATUBZ-LJQANCHMSA-N 1 2 339.826 3.522 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000528590927 1032495670 /nfs/dbraw/zinc/49/56/70/1032495670.db2.gz BPSAGFJVQBGSSG-UHFFFAOYSA-N 1 2 339.487 3.644 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000528590927 1032495675 /nfs/dbraw/zinc/49/56/75/1032495675.db2.gz BPSAGFJVQBGSSG-UHFFFAOYSA-N 1 2 339.487 3.644 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1)c1ccccc1 ZINC000170250594 1032501418 /nfs/dbraw/zinc/50/14/18/1032501418.db2.gz WUXFVPRTGRRTOI-SFHVURJKSA-N 1 2 331.419 3.679 20 0 EHADLO CCCc1nc(C[N@@H+]2C[C@H](c3cccc(OC)c3)C(C)(C)C2)no1 ZINC000528619248 1032514271 /nfs/dbraw/zinc/51/42/71/1032514271.db2.gz GYFLYALXLCCZOU-MRXNPFEDSA-N 1 2 329.444 3.656 20 0 EHADLO CCCc1nc(C[N@H+]2C[C@H](c3cccc(OC)c3)C(C)(C)C2)no1 ZINC000528619248 1032514279 /nfs/dbraw/zinc/51/42/79/1032514279.db2.gz GYFLYALXLCCZOU-MRXNPFEDSA-N 1 2 329.444 3.656 20 0 EHADLO CCc1ncc(C[NH2+]Cc2nc(C)c(Br)s2)s1 ZINC000449400053 1032524239 /nfs/dbraw/zinc/52/42/39/1032524239.db2.gz GXKQYAHUCDSGPH-UHFFFAOYSA-N 1 2 332.292 3.523 20 0 EHADLO c1ccc(COc2ccccc2C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000449406086 1032530908 /nfs/dbraw/zinc/53/09/08/1032530908.db2.gz SEFQTPDDWLBCTE-UHFFFAOYSA-N 1 2 334.423 3.551 20 0 EHADLO CCCn1ncc(NC2CCN(c3cccc[nH+]3)CC2)c1C1CC1 ZINC000449412728 1032534992 /nfs/dbraw/zinc/53/49/92/1032534992.db2.gz DFXBYPOFAHIALF-UHFFFAOYSA-N 1 2 325.460 3.646 20 0 EHADLO Cn1c(C[NH2+][C@@H](c2ccccn2)C2CCC2)nnc1-c1ccccc1 ZINC000528657467 1032542590 /nfs/dbraw/zinc/54/25/90/1032542590.db2.gz KAYOWKMMWXDHFA-LJQANCHMSA-N 1 2 333.439 3.508 20 0 EHADLO OC[C@]1(F)C[N@H+](C/C=C/c2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000449431023 1032547681 /nfs/dbraw/zinc/54/76/81/1032547681.db2.gz XBKWVXGLEHJWKC-WESDXNOOSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@]1(F)C[N@@H+](C/C=C/c2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000449431023 1032547689 /nfs/dbraw/zinc/54/76/89/1032547689.db2.gz XBKWVXGLEHJWKC-WESDXNOOSA-N 1 2 347.380 3.778 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449422700 1032559249 /nfs/dbraw/zinc/55/92/49/1032559249.db2.gz NGGYWEVPMPATSB-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449422700 1032559253 /nfs/dbraw/zinc/55/92/53/1032559253.db2.gz NGGYWEVPMPATSB-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453929 1032571576 /nfs/dbraw/zinc/57/15/76/1032571576.db2.gz YFCZOWGCZBOJST-QJPTWQEYSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453929 1032571580 /nfs/dbraw/zinc/57/15/80/1032571580.db2.gz YFCZOWGCZBOJST-QJPTWQEYSA-N 1 2 334.407 3.677 20 0 EHADLO CC(C)c1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc(C(C)C)n1 ZINC000090111347 1032573231 /nfs/dbraw/zinc/57/32/31/1032573231.db2.gz QGNGRFONQZLQOR-MRXNPFEDSA-N 1 2 326.444 3.776 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccnc1Cl ZINC000090942186 1032581558 /nfs/dbraw/zinc/58/15/58/1032581558.db2.gz KAEXZQFCMJTOQN-SNVBAGLBSA-N 1 2 327.762 3.625 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000449471739 1032590830 /nfs/dbraw/zinc/59/08/30/1032590830.db2.gz NOKFKDPWJVOSOY-OAHLLOKOSA-N 1 2 337.345 3.671 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012104 1017105025 /nfs/dbraw/zinc/10/50/25/1017105025.db2.gz AODYQWRIFSZXKK-VMPITWQZSA-N 1 2 341.842 3.665 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)c2cnccn2)c2ccccc2OC)cc1 ZINC000090772212 1032595359 /nfs/dbraw/zinc/59/53/59/1032595359.db2.gz LUCRFIDEXCMCNV-VFNWGFHPSA-N 1 2 349.434 3.934 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1nc(C2CC2)n2ccccc12 ZINC000091041227 1032623106 /nfs/dbraw/zinc/62/31/06/1032623106.db2.gz BGDJWBXTXHZHLB-UHFFFAOYSA-N 1 2 343.390 3.854 20 0 EHADLO C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000606316346 1032623458 /nfs/dbraw/zinc/62/34/58/1032623458.db2.gz QLNFDKIXOAMJBZ-AWEZNQCLSA-N 1 2 335.382 3.771 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)C(=O)c1ccccc1 ZINC000602086475 1032632161 /nfs/dbraw/zinc/63/21/61/1032632161.db2.gz KDADQBNODYPGRB-OAHLLOKOSA-N 1 2 333.391 3.720 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602115653 1032659060 /nfs/dbraw/zinc/65/90/60/1032659060.db2.gz JQNCXBQRYPAPQJ-JHJVBQTASA-N 1 2 349.422 3.557 20 0 EHADLO O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091230913 1032673302 /nfs/dbraw/zinc/67/33/02/1032673302.db2.gz KHEXGADBPLEZQJ-YOEHRIQHSA-N 1 2 342.418 3.515 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000606431757 1032678994 /nfs/dbraw/zinc/67/89/94/1032678994.db2.gz XRRISTVWZMYCJF-KRWDZBQOSA-N 1 2 332.444 3.796 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2OC)CC1 ZINC000606433486 1032682285 /nfs/dbraw/zinc/68/22/85/1032682285.db2.gz VNQGFZLGUGIYEI-QGZVFWFLSA-N 1 2 347.409 3.642 20 0 EHADLO COc1nccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1F ZINC000892720565 1017154100 /nfs/dbraw/zinc/15/41/00/1017154100.db2.gz MIUQLVVOWBDURC-INIZCTEOSA-N 1 2 328.391 3.593 20 0 EHADLO C[C@@H](CC(=O)NCc1ccccc1SC(F)(F)F)n1cc[nH+]c1 ZINC000890854498 1017164031 /nfs/dbraw/zinc/16/40/31/1017164031.db2.gz DWVIMJNXZIQGHK-NSHDSACASA-N 1 2 343.374 3.763 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000626133062 1032687190 /nfs/dbraw/zinc/68/71/90/1032687190.db2.gz GRSSAGVITHCJMW-CRAIPNDOSA-N 1 2 342.487 3.558 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000626133062 1032687193 /nfs/dbraw/zinc/68/71/93/1032687193.db2.gz GRSSAGVITHCJMW-CRAIPNDOSA-N 1 2 342.487 3.558 20 0 EHADLO CCn1ccnc1C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000449505768 1032687391 /nfs/dbraw/zinc/68/73/91/1032687391.db2.gz XQOPRQANCNQLRW-AWEZNQCLSA-N 1 2 334.261 3.655 20 0 EHADLO CCn1ccnc1C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000449505768 1032687396 /nfs/dbraw/zinc/68/73/96/1032687396.db2.gz XQOPRQANCNQLRW-AWEZNQCLSA-N 1 2 334.261 3.655 20 0 EHADLO Cc1ccc(C[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)cc1 ZINC000537394346 1032690698 /nfs/dbraw/zinc/69/06/98/1032690698.db2.gz MBRDBXYXHWQHQD-FQEVSTJZSA-N 1 2 337.467 3.660 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1Oc1ccncc1 ZINC000377097069 1017323119 /nfs/dbraw/zinc/32/31/19/1017323119.db2.gz JGDUAZDAEZLLNF-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2csc(C3CC3)n2)c2cc(N)ccc2O1 ZINC000415029632 1017427323 /nfs/dbraw/zinc/42/73/23/1017427323.db2.gz DZVVPBUVIQWJJL-HNNXBMFYSA-N 1 2 329.469 3.995 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000606452125 1032694850 /nfs/dbraw/zinc/69/48/50/1032694850.db2.gz HRRORFRVGZAWIL-MRXNPFEDSA-N 1 2 332.513 3.790 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000606452125 1032694865 /nfs/dbraw/zinc/69/48/65/1032694865.db2.gz HRRORFRVGZAWIL-MRXNPFEDSA-N 1 2 332.513 3.790 20 0 EHADLO COCc1cc[nH+]c(NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000650244493 1017446774 /nfs/dbraw/zinc/44/67/74/1017446774.db2.gz BBVBISUFPPHODR-UHFFFAOYSA-N 1 2 326.318 3.781 20 0 EHADLO Nc1nc(N2CCC(c3c(F)cccc3F)CC2)[nH+]c2ccccc12 ZINC000547941322 1017471787 /nfs/dbraw/zinc/47/17/87/1017471787.db2.gz WTALLVDQEJXWAA-UHFFFAOYSA-N 1 2 340.377 3.705 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377260808 1017542152 /nfs/dbraw/zinc/54/21/52/1017542152.db2.gz ZOJLLLLLQQGGOR-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377260808 1017542162 /nfs/dbraw/zinc/54/21/62/1017542162.db2.gz ZOJLLLLLQQGGOR-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC000655779683 1017573705 /nfs/dbraw/zinc/57/37/05/1017573705.db2.gz QJPJYEKMLVVYBL-CQSZACIVSA-N 1 2 343.862 3.901 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000020544208 1017625708 /nfs/dbraw/zinc/62/57/08/1017625708.db2.gz NPDCJWJEXGZHIH-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CCCCc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655795447 1017626867 /nfs/dbraw/zinc/62/68/67/1017626867.db2.gz BWQXMXQWMPUOBQ-PBHICJAKSA-N 1 2 328.460 3.850 20 0 EHADLO C([NH2+][C@H]1CCCC[C@H]1C1CCCCC1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000655796154 1017633413 /nfs/dbraw/zinc/63/34/13/1017633413.db2.gz GMANXHQZYXDJFR-ULQDDVLXSA-N 1 2 332.492 3.885 20 0 EHADLO COCc1cc(C[NH2+]Cc2csc(C(F)(F)F)n2)ccc1F ZINC000892886517 1017652699 /nfs/dbraw/zinc/65/26/99/1017652699.db2.gz UKIZHKJHJILJTE-UHFFFAOYSA-N 1 2 334.338 3.737 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3(C)CCC(F)(F)CC3)[nH+]c12 ZINC000528743186 1032719466 /nfs/dbraw/zinc/71/94/66/1032719466.db2.gz RGZRAVQGKQOJTO-UHFFFAOYSA-N 1 2 335.398 3.517 20 0 EHADLO CCCCCOc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655819993 1017697218 /nfs/dbraw/zinc/69/72/18/1017697218.db2.gz PTLXMXIRBUJMOX-KRWDZBQOSA-N 1 2 344.459 3.515 20 0 EHADLO C[C@H]1CCN(c2cc(Cl)nc(C3CCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000892910556 1017706008 /nfs/dbraw/zinc/70/60/08/1017706008.db2.gz FDTRDJPPMDCJRU-JSGCOSHPSA-N 1 2 331.851 3.682 20 0 EHADLO CCCOc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c(OC)c1 ZINC001266515687 1017732665 /nfs/dbraw/zinc/73/26/65/1017732665.db2.gz HZCSQAWCKSGKJE-UHFFFAOYSA-N 1 2 343.427 3.506 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ncc(Br)cn1 ZINC000340425126 1017738330 /nfs/dbraw/zinc/73/83/30/1017738330.db2.gz LPKYFTRFMUPGHF-LKFCYVNXSA-N 1 2 336.208 3.716 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1c(F)cccc1F ZINC000070396397 1017929868 /nfs/dbraw/zinc/92/98/68/1017929868.db2.gz QWYWZTZRNHBVQC-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO COc1cccc2c(N3CCC(c4nncn4C4CC4)CC3)cc[nH+]c12 ZINC000275666345 1018025553 /nfs/dbraw/zinc/02/55/53/1018025553.db2.gz YMUSRNPWIVALCM-UHFFFAOYSA-N 1 2 349.438 3.554 20 0 EHADLO Cc1ccccc1C1(C(=O)NCCCCn2cc[nH+]c2)CCCC1 ZINC000574212584 1032739946 /nfs/dbraw/zinc/73/99/46/1032739946.db2.gz NTBDXZDTQSSWDX-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1c(F)cccc1F ZINC000602272284 1032742048 /nfs/dbraw/zinc/74/20/48/1032742048.db2.gz PQVSBJFRRDFPLM-IAQYHMDHSA-N 1 2 334.341 3.560 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)n1 ZINC000377657079 1018132817 /nfs/dbraw/zinc/13/28/17/1018132817.db2.gz YUXDLGQVFOOINR-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)n1 ZINC000377657079 1018132828 /nfs/dbraw/zinc/13/28/28/1018132828.db2.gz YUXDLGQVFOOINR-HXUWFJFHSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)cn2)cc1 ZINC000377661998 1018139341 /nfs/dbraw/zinc/13/93/41/1018139341.db2.gz LDULVMNNQKFVEI-MRXNPFEDSA-N 1 2 348.406 3.964 20 0 EHADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3cc(C)on3)ccc2NC1=O ZINC000340521642 1018204542 /nfs/dbraw/zinc/20/45/42/1018204542.db2.gz BOTWPNGLMZOQIV-WQGACYEGSA-N 1 2 329.400 3.504 20 0 EHADLO CCOc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000047602391 1018245235 /nfs/dbraw/zinc/24/52/35/1018245235.db2.gz UYEPIQBCUZYOJD-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]2CCCO2)c1 ZINC000659861295 1018249266 /nfs/dbraw/zinc/24/92/66/1018249266.db2.gz BKKJEXKJYNZNFE-QGZVFWFLSA-N 1 2 330.403 3.872 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cc(C3CC3)no2)C[C@H]2CCCO2)c1 ZINC000659861295 1018249280 /nfs/dbraw/zinc/24/92/80/1018249280.db2.gz BKKJEXKJYNZNFE-QGZVFWFLSA-N 1 2 330.403 3.872 20 0 EHADLO Clc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000683747471 1018291927 /nfs/dbraw/zinc/29/19/27/1018291927.db2.gz HMBSFNXPRGLARB-LLVKDONJSA-N 1 2 341.640 3.536 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H](c1ccco1)c1ccccc1 ZINC000377746571 1018309600 /nfs/dbraw/zinc/30/96/00/1018309600.db2.gz DSOXWHVBUQLJML-SFHVURJKSA-N 1 2 332.363 3.838 20 0 EHADLO Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1-c1ccccc1 ZINC000377742176 1018312359 /nfs/dbraw/zinc/31/23/59/1018312359.db2.gz HDMJKXDRRREWOJ-UHFFFAOYSA-N 1 2 332.407 3.906 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CCC1(F)F ZINC001143499883 1018326378 /nfs/dbraw/zinc/32/63/78/1018326378.db2.gz SPLDDYRMNGZAOR-JTQLQIEISA-N 1 2 343.723 3.808 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CCC1(F)F ZINC001143499883 1018326389 /nfs/dbraw/zinc/32/63/89/1018326389.db2.gz SPLDDYRMNGZAOR-JTQLQIEISA-N 1 2 343.723 3.808 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1c(C)noc1C ZINC000042978318 1018382664 /nfs/dbraw/zinc/38/26/64/1018382664.db2.gz KSRDUQKCRTZNIT-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1c(C)noc1C ZINC000042978318 1018382677 /nfs/dbraw/zinc/38/26/77/1018382677.db2.gz KSRDUQKCRTZNIT-UHFFFAOYSA-N 1 2 339.233 3.695 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000377811413 1018404933 /nfs/dbraw/zinc/40/49/33/1018404933.db2.gz LUDGTTFQMXJSEE-UHFFFAOYSA-N 1 2 336.370 3.795 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000606583675 1032766866 /nfs/dbraw/zinc/76/68/66/1032766866.db2.gz JYIJEHCYXZCWBP-SJLPKXTDSA-N 1 2 334.423 3.867 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000897560694 1032767425 /nfs/dbraw/zinc/76/74/25/1032767425.db2.gz UZQWYTXWOZOOFP-MSOLQXFVSA-N 1 2 325.456 3.769 20 0 EHADLO O=C(Nc1ccccc1OC(F)F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340563952 1018491589 /nfs/dbraw/zinc/49/15/89/1018491589.db2.gz ZLNVCVAPOULFBF-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO O=C(NCc1ccccc1OC1CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606582166 1032768326 /nfs/dbraw/zinc/76/83/26/1032768326.db2.gz FINAVYRRYNSMGV-UHFFFAOYSA-N 1 2 336.395 3.587 20 0 EHADLO COC(=O)[C@@H]([NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000469051412 1018745509 /nfs/dbraw/zinc/74/55/09/1018745509.db2.gz QJDWVGKFXZTNMW-AWEZNQCLSA-N 1 2 329.362 3.524 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052162418 1018755646 /nfs/dbraw/zinc/75/56/46/1018755646.db2.gz FHLIQYOVEDPFKN-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052162418 1018755655 /nfs/dbraw/zinc/75/56/55/1018755655.db2.gz FHLIQYOVEDPFKN-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000052432697 1018812707 /nfs/dbraw/zinc/81/27/07/1018812707.db2.gz DENIOPBQRBMKQR-ZDUSSCGKSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000052432697 1018812727 /nfs/dbraw/zinc/81/27/27/1018812727.db2.gz DENIOPBQRBMKQR-ZDUSSCGKSA-N 1 2 348.899 3.979 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442638 1018813742 /nfs/dbraw/zinc/81/37/42/1018813742.db2.gz LAAGKMWJLVZURZ-INIZCTEOSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442638 1018813762 /nfs/dbraw/zinc/81/37/62/1018813762.db2.gz LAAGKMWJLVZURZ-INIZCTEOSA-N 1 2 326.440 3.539 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161519 1018853882 /nfs/dbraw/zinc/85/38/82/1018853882.db2.gz ZJFAZANWDAOJBU-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161519 1018853898 /nfs/dbraw/zinc/85/38/98/1018853898.db2.gz ZJFAZANWDAOJBU-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000091927878 1018906104 /nfs/dbraw/zinc/90/61/04/1018906104.db2.gz WMVHNEAQUSXFDD-LSDHHAIUSA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000091927878 1018906110 /nfs/dbraw/zinc/90/61/10/1018906110.db2.gz WMVHNEAQUSXFDD-LSDHHAIUSA-N 1 2 347.402 3.678 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419376704 1018977074 /nfs/dbraw/zinc/97/70/74/1018977074.db2.gz SNSWETVWHLLHAT-AAEUAGOBSA-N 1 2 327.519 3.601 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419376704 1018977093 /nfs/dbraw/zinc/97/70/93/1018977093.db2.gz SNSWETVWHLLHAT-AAEUAGOBSA-N 1 2 327.519 3.601 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419376716 1018979214 /nfs/dbraw/zinc/97/92/14/1018979214.db2.gz SNSWETVWHLLHAT-YPMHNXCESA-N 1 2 327.519 3.601 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419376716 1018979228 /nfs/dbraw/zinc/97/92/28/1018979228.db2.gz SNSWETVWHLLHAT-YPMHNXCESA-N 1 2 327.519 3.601 20 0 EHADLO CC1(C)C[N@H+](Cc2cnc3ccc(Br)cn23)[C@@H]1C1CC1 ZINC000576438486 1018998486 /nfs/dbraw/zinc/99/84/86/1018998486.db2.gz OXHZAIXIURUAKY-OAHLLOKOSA-N 1 2 334.261 3.717 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnc3ccc(Br)cn23)[C@@H]1C1CC1 ZINC000576438486 1018998497 /nfs/dbraw/zinc/99/84/97/1018998497.db2.gz OXHZAIXIURUAKY-OAHLLOKOSA-N 1 2 334.261 3.717 20 0 EHADLO Fc1ccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000255379884 1019016062 /nfs/dbraw/zinc/01/60/62/1019016062.db2.gz KPDPONMSNAILON-DAXSKMNVSA-N 1 2 340.442 3.536 20 0 EHADLO COc1ccc(F)c(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000255385230 1019019779 /nfs/dbraw/zinc/01/97/79/1019019779.db2.gz FAYNCNAJXVJORH-WTKPLQERSA-N 1 2 337.354 3.672 20 0 EHADLO Clc1ccc(C2C[NH+](Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000449557387 1032802197 /nfs/dbraw/zinc/80/21/97/1032802197.db2.gz QNQUTGTWRHTRJQ-UHFFFAOYSA-N 1 2 338.842 3.579 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(C)[nH+]1 ZINC000408463648 1019042329 /nfs/dbraw/zinc/04/23/29/1019042329.db2.gz GNEKUCSESHRJHJ-BIMQEMHKSA-N 1 2 345.487 3.800 20 0 EHADLO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340641680 1019053721 /nfs/dbraw/zinc/05/37/21/1019053721.db2.gz GRBCKIIEKZIXDJ-KRWDZBQOSA-N 1 2 340.471 3.522 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000580340765 1019093977 /nfs/dbraw/zinc/09/39/77/1019093977.db2.gz RJIMDYWYCBNCCT-ZFWWWQNUSA-N 1 2 328.460 3.989 20 0 EHADLO CC[C@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000728982599 1019141760 /nfs/dbraw/zinc/14/17/60/1019141760.db2.gz IPUAGEZMOCHPIJ-SJLPKXTDSA-N 1 2 327.472 3.998 20 0 EHADLO Cc1cc(C)c(Br)c(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1 ZINC000129663884 1019195699 /nfs/dbraw/zinc/19/56/99/1019195699.db2.gz AHYQIRXKHWVCDE-UHFFFAOYSA-N 1 2 348.244 3.779 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Br ZINC000528785276 1032818108 /nfs/dbraw/zinc/81/81/08/1032818108.db2.gz BPAUCTKRFHCMGO-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Br ZINC000528785276 1032818122 /nfs/dbraw/zinc/81/81/22/1032818122.db2.gz BPAUCTKRFHCMGO-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804234 1019265639 /nfs/dbraw/zinc/26/56/39/1019265639.db2.gz BBUNQBUDERPNQQ-SMDDNHRTSA-N 1 2 335.498 3.986 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)sc1C ZINC000052804234 1019265645 /nfs/dbraw/zinc/26/56/45/1019265645.db2.gz BBUNQBUDERPNQQ-SMDDNHRTSA-N 1 2 335.498 3.986 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)cc1 ZINC000052832761 1019280448 /nfs/dbraw/zinc/28/04/48/1019280448.db2.gz YQUQNPLQHXHCHB-UHFFFAOYSA-N 1 2 329.469 3.653 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000052832761 1019280465 /nfs/dbraw/zinc/28/04/65/1019280465.db2.gz YQUQNPLQHXHCHB-UHFFFAOYSA-N 1 2 329.469 3.653 20 0 EHADLO Cc1csc(Nc2cccc(NC(=O)CCCn3cc[nH+]c3)c2)n1 ZINC000729337674 1019297703 /nfs/dbraw/zinc/29/77/03/1019297703.db2.gz XWKBSEIBSVIWPL-UHFFFAOYSA-N 1 2 341.440 3.811 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000052895780 1019304334 /nfs/dbraw/zinc/30/43/34/1019304334.db2.gz KYSKPAZWBMGTLA-MRXNPFEDSA-N 1 2 330.472 3.522 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000052895780 1019304351 /nfs/dbraw/zinc/30/43/51/1019304351.db2.gz KYSKPAZWBMGTLA-MRXNPFEDSA-N 1 2 330.472 3.522 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000729373087 1019323900 /nfs/dbraw/zinc/32/39/00/1019323900.db2.gz BVMDBBDMLCOEJJ-UHFFFAOYSA-N 1 2 344.415 3.649 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1F)[C@@H]2C ZINC000580416337 1019334297 /nfs/dbraw/zinc/33/42/97/1019334297.db2.gz DELHUSPSHRNGAZ-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccccc1F)[C@@H]2C ZINC000580416337 1019334310 /nfs/dbraw/zinc/33/43/10/1019334310.db2.gz DELHUSPSHRNGAZ-ZIAGYGMSSA-N 1 2 342.414 3.781 20 0 EHADLO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1 ZINC000580423661 1019348289 /nfs/dbraw/zinc/34/82/89/1019348289.db2.gz FOXIMNSPVMXPCK-ZDUSSCGKSA-N 1 2 349.377 3.537 20 0 EHADLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1 ZINC000580423661 1019348307 /nfs/dbraw/zinc/34/83/07/1019348307.db2.gz FOXIMNSPVMXPCK-ZDUSSCGKSA-N 1 2 349.377 3.537 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C/c2ccccc2)c1)[NH+]1CCOCC1 ZINC000729409281 1019350103 /nfs/dbraw/zinc/35/01/03/1019350103.db2.gz VNAUFSGHZKESHC-DVQDXYAYSA-N 1 2 336.435 3.732 20 0 EHADLO CC1(C)CC[N@H+](Cc2cccc(OC3CCCC3)c2)CC[S@]1=O ZINC000449569373 1032822183 /nfs/dbraw/zinc/82/21/83/1032822183.db2.gz BLSJOHBHPTVETH-HSZRJFAPSA-N 1 2 335.513 3.741 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[S@]1=O ZINC000449569373 1032822200 /nfs/dbraw/zinc/82/22/00/1032822200.db2.gz BLSJOHBHPTVETH-HSZRJFAPSA-N 1 2 335.513 3.741 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1cccnc1 ZINC000155746336 1019368662 /nfs/dbraw/zinc/36/86/62/1019368662.db2.gz GTFUVIOJCJCMRA-LBPRGKRZSA-N 1 2 337.345 3.559 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cccnc1 ZINC000155746336 1019368686 /nfs/dbraw/zinc/36/86/86/1019368686.db2.gz GTFUVIOJCJCMRA-LBPRGKRZSA-N 1 2 337.345 3.559 20 0 EHADLO Fc1ccc([C@H]2CSCC[N@@H+]2Cc2cnc3ccccn23)cc1 ZINC001203155092 1019411999 /nfs/dbraw/zinc/41/19/99/1019411999.db2.gz LWWXUPQMCDNHNP-QGZVFWFLSA-N 1 2 327.428 3.764 20 0 EHADLO Fc1ccc([C@H]2CSCC[N@H+]2Cc2cnc3ccccn23)cc1 ZINC001203155092 1019412007 /nfs/dbraw/zinc/41/20/07/1019412007.db2.gz LWWXUPQMCDNHNP-QGZVFWFLSA-N 1 2 327.428 3.764 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2cccc(C)c2C)c1C ZINC000050254160 1019473029 /nfs/dbraw/zinc/47/30/29/1019473029.db2.gz SLZPJSBERLDWQT-UHFFFAOYSA-N 1 2 329.469 3.810 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1c(F)cncc1F ZINC000513273197 1019493627 /nfs/dbraw/zinc/49/36/27/1019493627.db2.gz VOBIZCMTHANJMM-GFCCVEGCSA-N 1 2 341.361 3.802 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000047931574 1019494816 /nfs/dbraw/zinc/49/48/16/1019494816.db2.gz WBBDSZJBIMLDLV-LBPRGKRZSA-N 1 2 329.787 3.615 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000476093076 1032839425 /nfs/dbraw/zinc/83/94/25/1032839425.db2.gz XESKIGKSLAQOTE-OLZOCXBDSA-N 1 2 335.398 3.708 20 0 EHADLO Cc1cc(Br)cc(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000397022766 1032839478 /nfs/dbraw/zinc/83/94/78/1032839478.db2.gz LYITXKCVIBTQRY-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309435 1032842446 /nfs/dbraw/zinc/84/24/46/1032842446.db2.gz CCBQSHLVEJSYDT-OLZOCXBDSA-N 1 2 347.488 3.586 20 0 EHADLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc[nH]1 ZINC000760309435 1032842429 /nfs/dbraw/zinc/84/24/29/1032842429.db2.gz CCBQSHLVEJSYDT-OLZOCXBDSA-N 1 2 347.488 3.586 20 0 EHADLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000340720132 1019601138 /nfs/dbraw/zinc/60/11/38/1019601138.db2.gz VIDDFCAUOUWDLU-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513415540 1019646060 /nfs/dbraw/zinc/64/60/60/1019646060.db2.gz JZJYPGYIKHCYEO-TVFCKZIOSA-N 1 2 329.488 3.581 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(c1cccs1)c1cccs1 ZINC000580583809 1019685723 /nfs/dbraw/zinc/68/57/23/1019685723.db2.gz YTBDKLOWEDIVRV-NSHDSACASA-N 1 2 331.466 3.617 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(c1cccs1)c1cccs1 ZINC000580583809 1019685739 /nfs/dbraw/zinc/68/57/39/1019685739.db2.gz YTBDKLOWEDIVRV-NSHDSACASA-N 1 2 331.466 3.617 20 0 EHADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c3c(Br)cccc23)c2ncnn21 ZINC000664188294 1019705633 /nfs/dbraw/zinc/70/56/33/1019705633.db2.gz UIKNHVKTMDFNQD-NOZJJQNGSA-N 1 2 344.216 3.707 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000079102426 1019746036 /nfs/dbraw/zinc/74/60/36/1019746036.db2.gz BBDNJMMWZRWCKV-SJLPKXTDSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000651974702 1019746850 /nfs/dbraw/zinc/74/68/50/1019746850.db2.gz MOISRSVHMFMHFF-LBPRGKRZSA-N 1 2 331.485 3.725 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000651974702 1019746867 /nfs/dbraw/zinc/74/68/67/1019746867.db2.gz MOISRSVHMFMHFF-LBPRGKRZSA-N 1 2 331.485 3.725 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1c1ccccc1 ZINC000433982973 1019840847 /nfs/dbraw/zinc/84/08/47/1019840847.db2.gz ZZPVQKSZFZZQRB-SFHVURJKSA-N 1 2 348.450 3.670 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684025777 1019855115 /nfs/dbraw/zinc/85/51/15/1019855115.db2.gz SDMWWOCZZKMQSS-AWEZNQCLSA-N 1 2 326.469 3.503 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433997656 1019864958 /nfs/dbraw/zinc/86/49/58/1019864958.db2.gz APXUJXZVEJNMPA-DODZYUBVSA-N 1 2 343.471 3.603 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000513640753 1019898176 /nfs/dbraw/zinc/89/81/76/1019898176.db2.gz ROWPLWZWKBOBCX-BZSNNMDCSA-N 1 2 346.519 3.702 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000513640753 1019898196 /nfs/dbraw/zinc/89/81/96/1019898196.db2.gz ROWPLWZWKBOBCX-BZSNNMDCSA-N 1 2 346.519 3.702 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2cccc(C)c2)c1C ZINC000606839848 1032862395 /nfs/dbraw/zinc/86/23/95/1032862395.db2.gz ZMGQOLQGWDSFPA-HNNXBMFYSA-N 1 2 326.440 3.778 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2cccc3ccccc32)c1C ZINC000050449391 1019929929 /nfs/dbraw/zinc/92/99/29/1019929929.db2.gz XPOQINLFYBRLKG-UHFFFAOYSA-N 1 2 334.419 3.719 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000434082101 1019933112 /nfs/dbraw/zinc/93/31/12/1019933112.db2.gz VLUALCIEIFGZJU-SFHVURJKSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000434082101 1019933122 /nfs/dbraw/zinc/93/31/22/1019933122.db2.gz VLUALCIEIFGZJU-SFHVURJKSA-N 1 2 340.471 3.563 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684048517 1019991631 /nfs/dbraw/zinc/99/16/31/1019991631.db2.gz VRSKAVFPAFFWSD-ZDUSSCGKSA-N 1 2 338.238 3.596 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c2ccccn2)cc1 ZINC000280065858 1020022709 /nfs/dbraw/zinc/02/27/09/1020022709.db2.gz MXAHWHOXIQRBKC-OAQYLSRUSA-N 1 2 339.483 3.714 20 0 EHADLO CC(C)(CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)F ZINC000280094383 1020054951 /nfs/dbraw/zinc/05/49/51/1020054951.db2.gz TUYCMKGKTXLMQC-UHFFFAOYSA-N 1 2 329.297 3.929 20 0 EHADLO C=Cn1cc(C[NH2+][C@H](c2ccc(OC)cc2)c2ccccc2OC)cn1 ZINC000574267022 1032870981 /nfs/dbraw/zinc/87/09/81/1032870981.db2.gz GJNXLRXJMJVJPK-OAQYLSRUSA-N 1 2 349.434 3.880 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccc(F)c(Cl)c3)CC2)on1 ZINC000345230849 1020078237 /nfs/dbraw/zinc/07/82/37/1020078237.db2.gz GSVATSDJUXEEOJ-ZDUSSCGKSA-N 1 2 337.826 3.654 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCCCCC1 ZINC000471620439 1020079323 /nfs/dbraw/zinc/07/93/23/1020079323.db2.gz RULPNNOCPQZGGC-HNNXBMFYSA-N 1 2 328.460 3.832 20 0 EHADLO CCc1nnc(C[NH2+][C@@H]2CCc3sc(Br)cc32)s1 ZINC000340391831 1020092254 /nfs/dbraw/zinc/09/22/54/1020092254.db2.gz WUTXEYNHUPGMMA-MRVPVSSYSA-N 1 2 344.303 3.702 20 0 EHADLO CCc1ncc(C[NH2+]Cc2ccc(Cl)cc2Br)o1 ZINC000449611950 1032879393 /nfs/dbraw/zinc/87/93/93/1032879393.db2.gz ZTCODFBXFIEHET-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000580876373 1020165535 /nfs/dbraw/zinc/16/55/35/1020165535.db2.gz HZHNWCGKNIFKCA-IEBWSBKVSA-N 1 2 339.439 3.906 20 0 EHADLO C[C@@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC=CCC1 ZINC000580875573 1020165581 /nfs/dbraw/zinc/16/55/81/1020165581.db2.gz XMENIBVDWRMEEF-HXUWFJFHSA-N 1 2 339.439 3.567 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160679890 1020187487 /nfs/dbraw/zinc/18/74/87/1020187487.db2.gz QIMUXDOOHJNSOO-LLVKDONJSA-N 1 2 343.406 3.902 20 0 EHADLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000280223209 1020206486 /nfs/dbraw/zinc/20/64/86/1020206486.db2.gz HHGNCPXGLGSBHZ-IAGOWNOFSA-N 1 2 348.393 3.856 20 0 EHADLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000280223209 1020206497 /nfs/dbraw/zinc/20/64/97/1020206497.db2.gz HHGNCPXGLGSBHZ-IAGOWNOFSA-N 1 2 348.393 3.856 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc(OC)ccc2Br)o1 ZINC000449613385 1032885081 /nfs/dbraw/zinc/88/50/81/1032885081.db2.gz RWQPXTLQNFRDHT-UHFFFAOYSA-N 1 2 339.233 3.688 20 0 EHADLO C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345417803 1020233059 /nfs/dbraw/zinc/23/30/59/1020233059.db2.gz QDACITBKHABBMC-NVXWUHKLSA-N 1 2 329.488 3.752 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000580923165 1020241436 /nfs/dbraw/zinc/24/14/36/1020241436.db2.gz FTZACOQCSVYGMH-NRFANRHFSA-N 1 2 339.483 3.903 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000345446375 1020260093 /nfs/dbraw/zinc/26/00/93/1020260093.db2.gz KXXHRWZTXYCZKK-HXUWFJFHSA-N 1 2 338.451 3.503 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345448241 1020261416 /nfs/dbraw/zinc/26/14/16/1020261416.db2.gz NJZCTHNNWVOXGP-MRXNPFEDSA-N 1 2 331.504 3.998 20 0 EHADLO CCS[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000345449155 1020263442 /nfs/dbraw/zinc/26/34/42/1020263442.db2.gz OKGNTPKLMCNWRY-KRWDZBQOSA-N 1 2 349.544 3.703 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)nc2ccccc12 ZINC000280325758 1020293342 /nfs/dbraw/zinc/29/33/42/1020293342.db2.gz GYDLEYQDMUFWOR-AUUYWEPGSA-N 1 2 346.858 3.576 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)nc2ccccc12 ZINC000280325758 1020293347 /nfs/dbraw/zinc/29/33/47/1020293347.db2.gz GYDLEYQDMUFWOR-AUUYWEPGSA-N 1 2 346.858 3.576 20 0 EHADLO CC1CCC(OCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000580959518 1020308410 /nfs/dbraw/zinc/30/84/10/1020308410.db2.gz NICPPOARWOBMRX-GFHJVICUSA-N 1 2 345.487 3.516 20 0 EHADLO Cc1cc(Br)ccc1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350178046 1020371766 /nfs/dbraw/zinc/37/17/66/1020371766.db2.gz WEXULJITXSZGBU-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(Br)cc1F ZINC001204550339 1020384950 /nfs/dbraw/zinc/38/49/50/1020384950.db2.gz DJSVGTCESKDKSU-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccc(Br)cc1F ZINC001204550339 1020384962 /nfs/dbraw/zinc/38/49/62/1020384962.db2.gz DJSVGTCESKDKSU-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ncccc1F ZINC000528825270 1032901478 /nfs/dbraw/zinc/90/14/78/1032901478.db2.gz QUZQVDPLGDZYOR-ZDUSSCGKSA-N 1 2 329.419 3.635 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2cc(Cl)ccc2F)CC1)C(F)(F)F ZINC000093766653 1032901784 /nfs/dbraw/zinc/90/17/84/1032901784.db2.gz YPIJSRQZCVODOH-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO C/C(=C/c1ccc(C)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000588397763 1020448190 /nfs/dbraw/zinc/44/81/90/1020448190.db2.gz MYQYLXJYAMMRTJ-PDGQHHTCSA-N 1 2 345.446 3.960 20 0 EHADLO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000581215264 1020522852 /nfs/dbraw/zinc/52/28/52/1020522852.db2.gz RMGAOLLPLROUOJ-MRXNPFEDSA-N 1 2 337.398 3.863 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481957 1032911633 /nfs/dbraw/zinc/91/16/33/1032911633.db2.gz CILMHGYTXZWQDA-OWJWWREXSA-N 1 2 345.512 3.614 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481957 1032911644 /nfs/dbraw/zinc/91/16/44/1032911644.db2.gz CILMHGYTXZWQDA-OWJWWREXSA-N 1 2 345.512 3.614 20 0 EHADLO Cc1cc([C@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CCO2)ccc1F ZINC000656443598 1020581312 /nfs/dbraw/zinc/58/13/12/1020581312.db2.gz LRXXUVMYHBIKQF-HXUWFJFHSA-N 1 2 326.415 3.591 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CCO2)ccc1F ZINC000656443598 1020581318 /nfs/dbraw/zinc/58/13/18/1020581318.db2.gz LRXXUVMYHBIKQF-HXUWFJFHSA-N 1 2 326.415 3.591 20 0 EHADLO CC[C@@H](c1ccccc1F)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000656459910 1020621816 /nfs/dbraw/zinc/62/18/16/1020621816.db2.gz JSTNCWQEYBAYJQ-IBGZPJMESA-N 1 2 342.393 3.846 20 0 EHADLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccs1 ZINC000071090299 1020640519 /nfs/dbraw/zinc/64/05/19/1020640519.db2.gz KRXSZEFKIODJDQ-UHFFFAOYSA-N 1 2 335.429 3.567 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccs1 ZINC000071090299 1020640524 /nfs/dbraw/zinc/64/05/24/1020640524.db2.gz KRXSZEFKIODJDQ-UHFFFAOYSA-N 1 2 335.429 3.567 20 0 EHADLO CC(=O)Nc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000340928947 1020642062 /nfs/dbraw/zinc/64/20/62/1020642062.db2.gz UTKHZIGUHDBRHC-SFHVURJKSA-N 1 2 348.406 3.529 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1C1CC1 ZINC000340941142 1020657536 /nfs/dbraw/zinc/65/75/36/1020657536.db2.gz PCOGKWTWDQDEAP-AWEZNQCLSA-N 1 2 348.853 3.921 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1C1CC1 ZINC000340941142 1020657538 /nfs/dbraw/zinc/65/75/38/1020657538.db2.gz PCOGKWTWDQDEAP-AWEZNQCLSA-N 1 2 348.853 3.921 20 0 EHADLO CCC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000510381466 1020662336 /nfs/dbraw/zinc/66/23/36/1020662336.db2.gz XLNRTKLQEBJNDE-SFHVURJKSA-N 1 2 337.467 3.778 20 0 EHADLO CCCOc1ccc(Br)cc1C[NH2+]Cc1nccs1 ZINC000040443962 1020700291 /nfs/dbraw/zinc/70/02/91/1020700291.db2.gz LLKLYYBKLMZXRO-UHFFFAOYSA-N 1 2 341.274 3.984 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cncn1C ZINC000289934766 1020744822 /nfs/dbraw/zinc/74/48/22/1020744822.db2.gz TZEHMOICHKZCMK-UHFFFAOYSA-N 1 2 343.862 3.672 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)cc2[nH+]1 ZINC000593394429 1032924851 /nfs/dbraw/zinc/92/48/51/1032924851.db2.gz HTNSOPCRBZRIIL-OLZOCXBDSA-N 1 2 343.427 3.568 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000187403639 1020801012 /nfs/dbraw/zinc/80/10/12/1020801012.db2.gz JGPQHHHOGSXXFJ-WOJBJXKFSA-N 1 2 340.467 3.585 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1nc(C3CCCCC3)cs1)C2 ZINC000933254600 1020828338 /nfs/dbraw/zinc/82/83/38/1020828338.db2.gz RVEWXKBSWIMHCF-UHFFFAOYSA-N 1 2 330.501 3.966 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533815444 1020869180 /nfs/dbraw/zinc/86/91/80/1020869180.db2.gz FAHHQNJANNNBGX-OWOJBTEDSA-N 1 2 344.455 3.635 20 0 EHADLO COCCC1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC1 ZINC000370532209 1032937052 /nfs/dbraw/zinc/93/70/52/1032937052.db2.gz YQYTXSMAKIYRSS-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO COc1cccc2c(NCc3ccc([C@H](C)O)c(C)n3)c(C)c[nH+]c12 ZINC000276330817 1021044923 /nfs/dbraw/zinc/04/49/23/1021044923.db2.gz REHZCXZWAIPAEB-AWEZNQCLSA-N 1 2 337.423 3.921 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000548186536 1021050886 /nfs/dbraw/zinc/05/08/86/1021050886.db2.gz BELZBHSEGDDMJT-QFBILLFUSA-N 1 2 340.471 3.799 20 0 EHADLO COc1ccccc1C1(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000343798661 1032951950 /nfs/dbraw/zinc/95/19/50/1032951950.db2.gz PVZFIQUPOBKJLS-IBGZPJMESA-N 1 2 348.450 3.614 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)sc1C ZINC000341204095 1021095369 /nfs/dbraw/zinc/09/53/69/1021095369.db2.gz DXTYSNCTADOSPE-UWVGGRQHSA-N 1 2 339.411 3.716 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000581584557 1021113935 /nfs/dbraw/zinc/11/39/35/1021113935.db2.gz RLDYXTIUSHZYGW-WBVHZDCISA-N 1 2 332.492 3.720 20 0 EHADLO C[C@@H](CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000581611205 1021147752 /nfs/dbraw/zinc/14/77/52/1021147752.db2.gz RFFSVHPMMQJUCD-IFXJQAMLSA-N 1 2 347.409 3.923 20 0 EHADLO C[C@H](CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000581611204 1021147972 /nfs/dbraw/zinc/14/79/72/1021147972.db2.gz RFFSVHPMMQJUCD-AUUYWEPGSA-N 1 2 347.409 3.923 20 0 EHADLO O=C(c1coc2ccccc12)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341237028 1021150475 /nfs/dbraw/zinc/15/04/75/1021150475.db2.gz HZGRGXTXPLEDAO-UHFFFAOYSA-N 1 2 337.423 3.962 20 0 EHADLO C[N@H+](CCSCc1ccccc1)Cc1cnn(-c2ccccc2)n1 ZINC001167474145 1021156855 /nfs/dbraw/zinc/15/68/55/1021156855.db2.gz PYJCCHGSPWZZBI-UHFFFAOYSA-N 1 2 338.480 3.633 20 0 EHADLO C[N@@H+](CCSCc1ccccc1)Cc1cnn(-c2ccccc2)n1 ZINC001167474145 1021156860 /nfs/dbraw/zinc/15/68/60/1021156860.db2.gz PYJCCHGSPWZZBI-UHFFFAOYSA-N 1 2 338.480 3.633 20 0 EHADLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000341242344 1021162546 /nfs/dbraw/zinc/16/25/46/1021162546.db2.gz OZAYWFHRSMGDMK-INIZCTEOSA-N 1 2 343.446 3.845 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)on1 ZINC000602525176 1032959627 /nfs/dbraw/zinc/95/96/27/1032959627.db2.gz RRMMTAYRWHPRFF-QMMMGPOBSA-N 1 2 329.183 3.619 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051119451 1021183418 /nfs/dbraw/zinc/18/34/18/1021183418.db2.gz NFMJOZVDMFCKNN-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051119451 1021183427 /nfs/dbraw/zinc/18/34/27/1021183427.db2.gz NFMJOZVDMFCKNN-MRXNPFEDSA-N 1 2 329.749 3.923 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C\c2cccc(F)c2)[nH+]1 ZINC000255331273 1021187700 /nfs/dbraw/zinc/18/77/00/1021187700.db2.gz QFDQSGZYLCZRFT-KHPPLWFESA-N 1 2 343.398 3.735 20 0 EHADLO CCCC[C@@](C)(F)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000656746672 1021255532 /nfs/dbraw/zinc/25/55/32/1021255532.db2.gz MDZJWUZNALSUBL-LJQANCHMSA-N 1 2 347.434 3.944 20 0 EHADLO Cc1[nH]c(CNc2ccc(I)cc2C)[nH+]c1C ZINC000518564575 1021304235 /nfs/dbraw/zinc/30/42/35/1021304235.db2.gz QGEQPXWULHDWNR-UHFFFAOYSA-N 1 2 341.196 3.552 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)o1 ZINC000426345918 1021326789 /nfs/dbraw/zinc/32/67/89/1021326789.db2.gz GFBYEWQIZPRHOY-JTQLQIEISA-N 1 2 338.249 3.944 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(-c3cccs3)on1)C2 ZINC000664871013 1021338924 /nfs/dbraw/zinc/33/89/24/1021338924.db2.gz MFQPWKQRDBAVCP-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(-c3cccs3)on1)C2 ZINC000664871013 1021338941 /nfs/dbraw/zinc/33/89/41/1021338941.db2.gz MFQPWKQRDBAVCP-UHFFFAOYSA-N 1 2 342.468 3.721 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(SC3CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000341300627 1021387934 /nfs/dbraw/zinc/38/79/34/1021387934.db2.gz FTLZDHYSBFEHJP-KSSFIOAISA-N 1 2 341.480 3.861 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877434 1021389203 /nfs/dbraw/zinc/38/92/03/1021389203.db2.gz ZXABMKCDKSLTOL-MOPGFXCFSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000157877434 1021389220 /nfs/dbraw/zinc/38/92/20/1021389220.db2.gz ZXABMKCDKSLTOL-MOPGFXCFSA-N 1 2 331.843 3.665 20 0 EHADLO Cc1nc2ccc(C[NH2+]Cc3nc(-c4ccccc4)no3)cc2s1 ZINC000426366036 1021393116 /nfs/dbraw/zinc/39/31/16/1021393116.db2.gz OCLLZOCNYZMLML-UHFFFAOYSA-N 1 2 336.420 3.945 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-c2cccs2)o1 ZINC000341321103 1021422372 /nfs/dbraw/zinc/42/23/72/1021422372.db2.gz NGYLVHKJVGAYGH-UHFFFAOYSA-N 1 2 327.409 3.635 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000507665570 1021434760 /nfs/dbraw/zinc/43/47/60/1021434760.db2.gz KXTVNXDHLHKFNJ-MRXNPFEDSA-N 1 2 330.497 3.884 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000507665570 1021434770 /nfs/dbraw/zinc/43/47/70/1021434770.db2.gz KXTVNXDHLHKFNJ-MRXNPFEDSA-N 1 2 330.497 3.884 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(N3CCCCC3)c3ncccc23)n1C ZINC000341334789 1021452438 /nfs/dbraw/zinc/45/24/38/1021452438.db2.gz KXSSOWNDOXNDON-UHFFFAOYSA-N 1 2 335.455 3.879 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1(c2ccccc2)CC1 ZINC000341340395 1021463444 /nfs/dbraw/zinc/46/34/44/1021463444.db2.gz DQCOTNPIZPRWFM-LJQANCHMSA-N 1 2 345.446 3.780 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccccc1Cl ZINC000656858696 1021493446 /nfs/dbraw/zinc/49/34/46/1021493446.db2.gz XUOGLQMRGGDQBW-CYBMUJFWSA-N 1 2 345.830 3.561 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000505938054 1021493714 /nfs/dbraw/zinc/49/37/14/1021493714.db2.gz JUJGHDPYVISBDG-IPMKNSEASA-N 1 2 341.499 3.905 20 0 EHADLO C[C@]1([NH2+]Cc2nc(-c3ccccc3F)no2)CCOc2ccccc21 ZINC000933372692 1021497842 /nfs/dbraw/zinc/49/78/42/1021497842.db2.gz XNXYGOUSXBTRHD-IBGZPJMESA-N 1 2 339.370 3.663 20 0 EHADLO Fc1cccc(Cn2cnc(C[NH2+][C@H](c3ccccc3)C3CC3)n2)c1 ZINC000437083833 1021535103 /nfs/dbraw/zinc/53/51/03/1021535103.db2.gz SEUFILSGNGWKKF-HXUWFJFHSA-N 1 2 336.414 3.706 20 0 EHADLO CCC(=O)C1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000516539499 1021536468 /nfs/dbraw/zinc/53/64/68/1021536468.db2.gz QIVBJQGXNGUMFH-UHFFFAOYSA-N 1 2 337.423 3.584 20 0 EHADLO O=C(Nc1ccccc1C(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000425716037 1021541940 /nfs/dbraw/zinc/54/19/40/1021541940.db2.gz QVSZVEULKCQVIC-UHFFFAOYSA-N 1 2 346.381 3.810 20 0 EHADLO CO[C@@H]1CCC[C@@H]([NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000684391730 1021550068 /nfs/dbraw/zinc/55/00/68/1021550068.db2.gz HUECNGFQZZJLOH-OAGGEKHMSA-N 1 2 335.835 3.668 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000509610633 1021555667 /nfs/dbraw/zinc/55/56/67/1021555667.db2.gz WQVUFILADMIQSR-FLVLSHQESA-N 1 2 333.439 3.826 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000509610634 1021556108 /nfs/dbraw/zinc/55/61/08/1021556108.db2.gz WQVUFILADMIQSR-FMQWLBJXSA-N 1 2 333.439 3.826 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cn(C(C)C)nc1C ZINC000341373320 1021585863 /nfs/dbraw/zinc/58/58/63/1021585863.db2.gz SNJSWMYRYRBMNF-UHFFFAOYSA-N 1 2 331.851 3.829 20 0 EHADLO C[C@@H]1CC/C(=C/c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000440529994 1021589815 /nfs/dbraw/zinc/58/98/15/1021589815.db2.gz XTHQCIYBSYETCG-NWCRWOLESA-N 1 2 339.439 3.772 20 0 EHADLO CCCCN(CCCC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000516641448 1021610686 /nfs/dbraw/zinc/61/06/86/1021610686.db2.gz NPQNDNCOYIOBKG-UHFFFAOYSA-N 1 2 328.460 3.984 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cc(OC)no1)c1cccc(C(F)(F)F)c1 ZINC000925091766 1021684831 /nfs/dbraw/zinc/68/48/31/1021684831.db2.gz AHQOWRWISOWPPI-GWCFXTLKSA-N 1 2 344.333 3.740 20 0 EHADLO COc1cccc2c(N[C@@H](C)c3ccc(-n4ccnn4)cc3)cc[nH+]c12 ZINC000440657322 1021704277 /nfs/dbraw/zinc/70/42/77/1021704277.db2.gz FMOVOSGXEOPANA-AWEZNQCLSA-N 1 2 345.406 3.997 20 0 EHADLO Oc1ccc(Br)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000155932202 1021736031 /nfs/dbraw/zinc/73/60/31/1021736031.db2.gz PKYKAJFPANCEAX-UHFFFAOYSA-N 1 2 344.212 3.953 20 0 EHADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000440759851 1021766267 /nfs/dbraw/zinc/76/62/67/1021766267.db2.gz CVHHPABEEWEGIA-TUKIKUTGSA-N 1 2 330.241 3.959 20 0 EHADLO CC[C@H](F)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000440759851 1021766281 /nfs/dbraw/zinc/76/62/81/1021766281.db2.gz CVHHPABEEWEGIA-TUKIKUTGSA-N 1 2 330.241 3.959 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC3 ZINC000729480461 1021771478 /nfs/dbraw/zinc/77/14/78/1021771478.db2.gz AJKGFVMHGWWHDX-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1cc(F)ccc1F)CC3 ZINC000729480461 1021771494 /nfs/dbraw/zinc/77/14/94/1021771494.db2.gz AJKGFVMHGWWHDX-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO C[C@@H](CC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)n1cc[nH+]c1 ZINC000516871273 1021802664 /nfs/dbraw/zinc/80/26/64/1021802664.db2.gz GQVJVFRRVIRXHR-AWEZNQCLSA-N 1 2 347.409 3.594 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc2c(c1)CCO2 ZINC000933489665 1021870884 /nfs/dbraw/zinc/87/08/84/1021870884.db2.gz XHIXYQUETBCMRN-GFCCVEGCSA-N 1 2 339.370 3.661 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000516942280 1021878404 /nfs/dbraw/zinc/87/84/04/1021878404.db2.gz LMYYLOIMVXOAAE-NRFANRHFSA-N 1 2 335.447 3.842 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000516942280 1021878417 /nfs/dbraw/zinc/87/84/17/1021878417.db2.gz LMYYLOIMVXOAAE-NRFANRHFSA-N 1 2 335.447 3.842 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944379 1021888550 /nfs/dbraw/zinc/88/85/50/1021888550.db2.gz VUQYBQRAUXICDF-HZPDHXFCSA-N 1 2 333.863 3.759 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944379 1021888562 /nfs/dbraw/zinc/88/85/62/1021888562.db2.gz VUQYBQRAUXICDF-HZPDHXFCSA-N 1 2 333.863 3.759 20 0 EHADLO Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000891547896 1021889081 /nfs/dbraw/zinc/88/90/81/1021889081.db2.gz QJBAXQYLWHQZKP-UHFFFAOYSA-N 1 2 344.842 3.844 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCCc3oc(C)nc32)cc1OC ZINC000925065089 1021901195 /nfs/dbraw/zinc/90/11/95/1021901195.db2.gz KVWKWIXFRVETOK-YGRLFVJLSA-N 1 2 334.391 3.868 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1nc2ccccc2s1 ZINC000437519483 1021912737 /nfs/dbraw/zinc/91/27/37/1021912737.db2.gz AGPPNQHRPCREFD-ZFWWWQNUSA-N 1 2 347.509 3.595 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1nc2ccccc2s1 ZINC000437519483 1021912744 /nfs/dbraw/zinc/91/27/44/1021912744.db2.gz AGPPNQHRPCREFD-ZFWWWQNUSA-N 1 2 347.509 3.595 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(Cl)c(C)nn2C)cc1OC ZINC000891554481 1021917565 /nfs/dbraw/zinc/91/75/65/1021917565.db2.gz ISLFJROVAVQMNA-CQSZACIVSA-N 1 2 349.862 3.736 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(Cl)c(C)nn2C)cc1OC ZINC000891554481 1021917566 /nfs/dbraw/zinc/91/75/66/1021917566.db2.gz ISLFJROVAVQMNA-CQSZACIVSA-N 1 2 349.862 3.736 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673899 1033015602 /nfs/dbraw/zinc/01/56/02/1033015602.db2.gz QXNKZUYDRANBPT-JOYOIKCWSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673899 1033015615 /nfs/dbraw/zinc/01/56/15/1033015615.db2.gz QXNKZUYDRANBPT-JOYOIKCWSA-N 1 2 348.415 3.617 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1CC(C)C)CCCO2 ZINC000164757907 1021923114 /nfs/dbraw/zinc/92/31/14/1021923114.db2.gz LTLVRMLZKCVGBB-QGZVFWFLSA-N 1 2 329.444 3.551 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccccc1OCC1CC1 ZINC000426565404 1021924856 /nfs/dbraw/zinc/92/48/56/1021924856.db2.gz NGSHNOGQDPXLDA-UHFFFAOYSA-N 1 2 346.496 3.889 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1OCC1CC1 ZINC000426565404 1021924862 /nfs/dbraw/zinc/92/48/62/1021924862.db2.gz NGSHNOGQDPXLDA-UHFFFAOYSA-N 1 2 346.496 3.889 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000441010953 1021927646 /nfs/dbraw/zinc/92/76/46/1021927646.db2.gz PDYGBSLBBCCQDD-KBXCAEBGSA-N 1 2 336.426 3.750 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000441010953 1021927653 /nfs/dbraw/zinc/92/76/53/1021927653.db2.gz PDYGBSLBBCCQDD-KBXCAEBGSA-N 1 2 336.426 3.750 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441022795 1021935512 /nfs/dbraw/zinc/93/55/12/1021935512.db2.gz RYMFTAUWOJCLFG-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441022795 1021935527 /nfs/dbraw/zinc/93/55/27/1021935527.db2.gz RYMFTAUWOJCLFG-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441059702 1021951072 /nfs/dbraw/zinc/95/10/72/1021951072.db2.gz UIWXICPRWRCVJJ-CVEARBPZSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441059702 1021951079 /nfs/dbraw/zinc/95/10/79/1021951079.db2.gz UIWXICPRWRCVJJ-CVEARBPZSA-N 1 2 340.442 3.758 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C2 ZINC000441091701 1021981864 /nfs/dbraw/zinc/98/18/64/1021981864.db2.gz FAOJPQSJQPGEHU-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc(C)ccc1C)C2 ZINC000441091701 1021981875 /nfs/dbraw/zinc/98/18/75/1021981875.db2.gz FAOJPQSJQPGEHU-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000140102731 1033020593 /nfs/dbraw/zinc/02/05/93/1033020593.db2.gz SFIHVJQMTYFPBT-UHFFFAOYSA-N 1 2 349.482 3.918 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000140102731 1033020609 /nfs/dbraw/zinc/02/06/09/1033020609.db2.gz SFIHVJQMTYFPBT-UHFFFAOYSA-N 1 2 349.482 3.918 20 0 EHADLO c1cn(-c2cccc(OCc3cncn3Cc3ccccc3)c2)c[nH+]1 ZINC000437610048 1021991855 /nfs/dbraw/zinc/99/18/55/1021991855.db2.gz BGUHJPSQQFUSRA-UHFFFAOYSA-N 1 2 330.391 3.696 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1nccn1C ZINC000593724800 1033021102 /nfs/dbraw/zinc/02/11/02/1033021102.db2.gz ZWIBMWPJUVGSTP-XKQJLSEDSA-N 1 2 341.455 3.641 20 0 EHADLO Cc1cc(NCc2ccc(OCC(F)(F)F)cc2)nc(C2CC2)[nH+]1 ZINC000341471276 1022012993 /nfs/dbraw/zinc/01/29/93/1022012993.db2.gz CJBJLMOQVYYKCZ-UHFFFAOYSA-N 1 2 337.345 3.638 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000441165417 1022042094 /nfs/dbraw/zinc/04/20/94/1022042094.db2.gz INTFAPSDGFQTNV-HXUWFJFHSA-N 1 2 339.435 3.825 20 0 EHADLO CC(C)OC(=O)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000441165417 1022042109 /nfs/dbraw/zinc/04/21/09/1022042109.db2.gz INTFAPSDGFQTNV-HXUWFJFHSA-N 1 2 339.435 3.825 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc(O)c1 ZINC000506804965 1022047231 /nfs/dbraw/zinc/04/72/31/1022047231.db2.gz IOSUYSSTOMQWPZ-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc(O)c1 ZINC000506804965 1022047248 /nfs/dbraw/zinc/04/72/48/1022047248.db2.gz IOSUYSSTOMQWPZ-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cscn2)c2ccccc21 ZINC000593690617 1033025760 /nfs/dbraw/zinc/02/57/60/1033025760.db2.gz LVWBPQLYYJBXBR-JKSUJKDBSA-N 1 2 330.453 3.803 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(C)c(F)c(F)c1)C2 ZINC001143597264 1033026909 /nfs/dbraw/zinc/02/69/09/1033026909.db2.gz NPDZGHMTVZPZMM-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(C)c(F)c(F)c1)C2 ZINC001143597264 1033026923 /nfs/dbraw/zinc/02/69/23/1033026923.db2.gz NPDZGHMTVZPZMM-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000517151828 1022076649 /nfs/dbraw/zinc/07/66/49/1022076649.db2.gz ISIPJYSMMYQMRF-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1C ZINC000466960539 1022115834 /nfs/dbraw/zinc/11/58/34/1022115834.db2.gz WORUTPIGKXRTQF-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1C ZINC000466960539 1022115845 /nfs/dbraw/zinc/11/58/45/1022115845.db2.gz WORUTPIGKXRTQF-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO c1ccc([C@@H]2CC[C@@H](Nc3cccc(CN4CCOCC4)[nH+]3)C2)cc1 ZINC000437773001 1022130175 /nfs/dbraw/zinc/13/01/75/1022130175.db2.gz JHBMVEHNUAWNHZ-RTBURBONSA-N 1 2 337.467 3.662 20 0 EHADLO c1ccc([C@H]2CC[C@@H](Nc3cccc(CN4CCOCC4)[nH+]3)C2)cc1 ZINC000437773000 1022131165 /nfs/dbraw/zinc/13/11/65/1022131165.db2.gz JHBMVEHNUAWNHZ-RBUKOAKNSA-N 1 2 337.467 3.662 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000607187853 1033031803 /nfs/dbraw/zinc/03/18/03/1033031803.db2.gz HFEJYTQOFUMWHV-HZPDHXFCSA-N 1 2 335.517 3.544 20 0 EHADLO O=c1[nH]c2cccc(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)c2o1 ZINC000891633896 1022168055 /nfs/dbraw/zinc/16/80/55/1022168055.db2.gz MWEVMSWJAQSHRC-INIZCTEOSA-N 1 2 344.798 3.760 20 0 EHADLO O=c1[nH]c2cccc(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)c2o1 ZINC000891633896 1022168062 /nfs/dbraw/zinc/16/80/62/1022168062.db2.gz MWEVMSWJAQSHRC-INIZCTEOSA-N 1 2 344.798 3.760 20 0 EHADLO CCc1cnc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)s1 ZINC000638711911 1022179035 /nfs/dbraw/zinc/17/90/35/1022179035.db2.gz IUSQUBUFMRORBJ-UHFFFAOYSA-N 1 2 344.406 3.547 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172937027 1033034708 /nfs/dbraw/zinc/03/47/08/1033034708.db2.gz XMNVWYMKQFGKBX-PBHICJAKSA-N 1 2 330.501 3.826 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172937027 1033034723 /nfs/dbraw/zinc/03/47/23/1033034723.db2.gz XMNVWYMKQFGKBX-PBHICJAKSA-N 1 2 330.501 3.826 20 0 EHADLO O=C(CC1CCCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000425916337 1022195041 /nfs/dbraw/zinc/19/50/41/1022195041.db2.gz KPXNWRZOCSPVEG-UHFFFAOYSA-N 1 2 329.419 3.988 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437906773 1022257213 /nfs/dbraw/zinc/25/72/13/1022257213.db2.gz RZBADONAMXFRNX-RBUKOAKNSA-N 1 2 346.434 3.502 20 0 EHADLO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)c1 ZINC000473908038 1022257930 /nfs/dbraw/zinc/25/79/30/1022257930.db2.gz DJWICCQDVIQJSO-KRWDZBQOSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1ccc(C)c(C[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)c1 ZINC000473908038 1022257936 /nfs/dbraw/zinc/25/79/36/1022257936.db2.gz DJWICCQDVIQJSO-KRWDZBQOSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1cc(CNc2cccc([C@H]3CCC(=O)N3)c2)c2c([nH+]1)CCCC2 ZINC000894922822 1022258731 /nfs/dbraw/zinc/25/87/31/1022258731.db2.gz SBVRAPZSJMNDTD-LJQANCHMSA-N 1 2 335.451 3.832 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000437910139 1022259223 /nfs/dbraw/zinc/25/92/23/1022259223.db2.gz OQSMPTPHOKACSL-OAHLLOKOSA-N 1 2 345.874 3.695 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000437910139 1022259228 /nfs/dbraw/zinc/25/92/28/1022259228.db2.gz OQSMPTPHOKACSL-OAHLLOKOSA-N 1 2 345.874 3.695 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000657010382 1022290409 /nfs/dbraw/zinc/29/04/09/1022290409.db2.gz QGTNTECEUCASPL-ZDUSSCGKSA-N 1 2 342.468 3.711 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000472325348 1033055001 /nfs/dbraw/zinc/05/50/01/1033055001.db2.gz HZLNBRYOVHZUNJ-BZNIZROVSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000472325348 1033055015 /nfs/dbraw/zinc/05/50/15/1033055015.db2.gz HZLNBRYOVHZUNJ-BZNIZROVSA-N 1 2 333.432 3.612 20 0 EHADLO COc1ccccc1[C@H]1CN(c2cc(C)[nH+]c(C3CCC3)n2)CCO1 ZINC000895028218 1022418522 /nfs/dbraw/zinc/41/85/22/1022418522.db2.gz CIANSHCXPZHEJR-GOSISDBHSA-N 1 2 339.439 3.639 20 0 EHADLO O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000458890034 1022437495 /nfs/dbraw/zinc/43/74/95/1022437495.db2.gz UAASIJOWFPOUSV-KRWDZBQOSA-N 1 2 342.418 3.515 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4occ5c4CCC5)n3)c2)c[nH+]1 ZINC000346007504 1022441056 /nfs/dbraw/zinc/44/10/56/1022441056.db2.gz BNXZSDRFZDBIKS-UHFFFAOYSA-N 1 2 332.363 3.730 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nsc(N(C)C)n1 ZINC000438165349 1022448510 /nfs/dbraw/zinc/44/85/10/1022448510.db2.gz CLACWHUHJFKBGB-INIZCTEOSA-N 1 2 332.517 3.756 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nsc(N(C)C)n1 ZINC000438165349 1022448511 /nfs/dbraw/zinc/44/85/11/1022448511.db2.gz CLACWHUHJFKBGB-INIZCTEOSA-N 1 2 332.517 3.756 20 0 EHADLO CCSc1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)ccn1 ZINC000292329671 1022506683 /nfs/dbraw/zinc/50/66/83/1022506683.db2.gz XAVSMRWJGOIYSG-INIZCTEOSA-N 1 2 331.489 3.723 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449699432 1033059516 /nfs/dbraw/zinc/05/95/16/1033059516.db2.gz QQSYNLAOKDJSJX-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO COC(=O)CCc1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000438315006 1022538436 /nfs/dbraw/zinc/53/84/36/1022538436.db2.gz ADIMCIPHPWIACA-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO COc1ccc(Br)c(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449701781 1033063338 /nfs/dbraw/zinc/06/33/38/1033063338.db2.gz XLPZXWVQEXKYJQ-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO Cc1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1C(=O)N(C)C ZINC000438299310 1022540644 /nfs/dbraw/zinc/54/06/44/1022540644.db2.gz LNXVAFZOVSXLDS-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000476223665 1033063452 /nfs/dbraw/zinc/06/34/52/1033063452.db2.gz MAUKOUACEBPBIX-IAGOWNOFSA-N 1 2 340.442 3.835 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2c2cccs2)c1C ZINC000051333942 1022547367 /nfs/dbraw/zinc/54/73/67/1022547367.db2.gz UJEZVNMOOQJUNF-OAHLLOKOSA-N 1 2 345.468 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3CC4(CC4)C3)n2)O1 ZINC000664998875 1022599017 /nfs/dbraw/zinc/59/90/17/1022599017.db2.gz CICJOUZDYMGMJY-RHSMWYFYSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3CC4(CC4)C3)n2)O1 ZINC000664998875 1022599021 /nfs/dbraw/zinc/59/90/21/1022599021.db2.gz CICJOUZDYMGMJY-RHSMWYFYSA-N 1 2 339.439 3.689 20 0 EHADLO CC(C)(CNc1ccnc(CSc2ccccc2)n1)n1cc[nH+]c1 ZINC000894592830 1022605233 /nfs/dbraw/zinc/60/52/33/1022605233.db2.gz XKZRVMYXFSHUFI-UHFFFAOYSA-N 1 2 339.468 3.813 20 0 EHADLO Cc1cc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc[nH+]1 ZINC001266883188 1022652529 /nfs/dbraw/zinc/65/25/29/1022652529.db2.gz PWUBNOPURKECQY-UHFFFAOYSA-N 1 2 330.693 3.616 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579571 1022703237 /nfs/dbraw/zinc/70/32/37/1022703237.db2.gz OMJLKSPSZRGOQM-ZIAGYGMSSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510579571 1022703246 /nfs/dbraw/zinc/70/32/46/1022703246.db2.gz OMJLKSPSZRGOQM-ZIAGYGMSSA-N 1 2 335.473 3.825 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476246679 1033082634 /nfs/dbraw/zinc/08/26/34/1033082634.db2.gz CRQPTNDKMLDWDL-JLZZUVOBSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476246679 1033082647 /nfs/dbraw/zinc/08/26/47/1033082647.db2.gz CRQPTNDKMLDWDL-JLZZUVOBSA-N 1 2 338.442 3.899 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC000409844733 1022848819 /nfs/dbraw/zinc/84/88/19/1022848819.db2.gz SFYDJAJAAATVBB-HNNXBMFYSA-N 1 2 345.817 3.839 20 0 EHADLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157217856 1022858348 /nfs/dbraw/zinc/85/83/48/1022858348.db2.gz XTWDOWDFGYEJHJ-CQSZACIVSA-N 1 2 329.444 3.886 20 0 EHADLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157217856 1022858362 /nfs/dbraw/zinc/85/83/62/1022858362.db2.gz XTWDOWDFGYEJHJ-CQSZACIVSA-N 1 2 329.444 3.886 20 0 EHADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)c(OCCC)c1 ZINC000894771687 1022867169 /nfs/dbraw/zinc/86/71/69/1022867169.db2.gz RDGOUZVXAIRZRN-ZDUSSCGKSA-N 1 2 332.448 3.542 20 0 EHADLO C[C@@](CO)([NH2+]Cc1nccn1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000894763963 1022876906 /nfs/dbraw/zinc/87/69/06/1022876906.db2.gz RGEJPDAFCVDIKB-INIZCTEOSA-N 1 2 340.254 3.522 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ncccc1F ZINC000127678825 1022937126 /nfs/dbraw/zinc/93/71/26/1022937126.db2.gz UBXOEYSHIBKTPT-UHFFFAOYSA-N 1 2 325.343 3.558 20 0 EHADLO Cc1ccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000341677014 1022952792 /nfs/dbraw/zinc/95/27/92/1022952792.db2.gz OCXAIWDZWJKISY-UHFFFAOYSA-N 1 2 325.437 3.574 20 0 EHADLO CCO[C@@H](CC)c1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000665040656 1022981610 /nfs/dbraw/zinc/98/16/10/1022981610.db2.gz NUEVVKAGVXJEJM-AWEZNQCLSA-N 1 2 336.342 3.542 20 0 EHADLO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nnnn1C1CC1)C(C)C ZINC000341680537 1022986491 /nfs/dbraw/zinc/98/64/91/1022986491.db2.gz DONURSQXQIQQIC-QGZVFWFLSA-N 1 2 325.416 3.550 20 0 EHADLO CC(C)(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1c[nH+]c[nH]1 ZINC000343270262 1023006617 /nfs/dbraw/zinc/00/66/17/1023006617.db2.gz LKPDOXOHTSOPPX-LJQANCHMSA-N 1 2 345.446 3.862 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)CCC=C(C)C)c1C ZINC000458997863 1023053355 /nfs/dbraw/zinc/05/33/55/1023053355.db2.gz YESWSVPAKVMICB-OAHLLOKOSA-N 1 2 333.476 3.983 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128812279 1023054549 /nfs/dbraw/zinc/05/45/49/1023054549.db2.gz KOIJQCDQOLEFBE-OAGGEKHMSA-N 1 2 326.444 3.621 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000761042729 1033101924 /nfs/dbraw/zinc/10/19/24/1033101924.db2.gz QOXZSGQLCRLGTM-KBPBESRZSA-N 1 2 328.378 3.823 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000761042729 1033101926 /nfs/dbraw/zinc/10/19/26/1033101926.db2.gz QOXZSGQLCRLGTM-KBPBESRZSA-N 1 2 328.378 3.823 20 0 EHADLO CCCCNC(=O)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090070634 1023067176 /nfs/dbraw/zinc/06/71/76/1023067176.db2.gz CIGBGZIEZFBAOX-UHFFFAOYSA-N 1 2 346.519 3.856 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@@H]2CCc3ccccc3C2)no1)c1ccccc1 ZINC000685319114 1033103465 /nfs/dbraw/zinc/10/34/65/1033103465.db2.gz KQCAAJABDQBDJM-RTBURBONSA-N 1 2 333.435 3.993 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000189739339 1023097130 /nfs/dbraw/zinc/09/71/30/1023097130.db2.gz UWFVPLHGPULVGM-UHFFFAOYSA-N 1 2 344.821 3.983 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000189739339 1023097138 /nfs/dbraw/zinc/09/71/38/1023097138.db2.gz UWFVPLHGPULVGM-UHFFFAOYSA-N 1 2 344.821 3.983 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000507131616 1023144247 /nfs/dbraw/zinc/14/42/47/1023144247.db2.gz CSPNAMSHZMBYHA-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000507131616 1023144251 /nfs/dbraw/zinc/14/42/51/1023144251.db2.gz CSPNAMSHZMBYHA-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1nn2c(C[N@H+](Cc3ccccc3F)C(C)C)c(C)nc2s1 ZINC000507166639 1023159780 /nfs/dbraw/zinc/15/97/80/1023159780.db2.gz FIGILMHPSMUEGF-UHFFFAOYSA-N 1 2 332.448 3.957 20 0 EHADLO Cc1nn2c(C[N@@H+](Cc3ccccc3F)C(C)C)c(C)nc2s1 ZINC000507166639 1023159787 /nfs/dbraw/zinc/15/97/87/1023159787.db2.gz FIGILMHPSMUEGF-UHFFFAOYSA-N 1 2 332.448 3.957 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cn1 ZINC000507207017 1023180342 /nfs/dbraw/zinc/18/03/42/1023180342.db2.gz CKPYTUOWYWFLFJ-HXUWFJFHSA-N 1 2 348.450 3.681 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000449724088 1033111937 /nfs/dbraw/zinc/11/19/37/1033111937.db2.gz GPRGNBHDQVHNNB-UHFFFAOYSA-N 1 2 340.533 3.847 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507212464 1023190834 /nfs/dbraw/zinc/19/08/34/1023190834.db2.gz AXKUGTAPYSBWMD-CZUORRHYSA-N 1 2 329.444 3.674 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507212464 1023190840 /nfs/dbraw/zinc/19/08/40/1023190840.db2.gz AXKUGTAPYSBWMD-CZUORRHYSA-N 1 2 329.444 3.674 20 0 EHADLO CCCCCOCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441486362 1023195144 /nfs/dbraw/zinc/19/51/44/1023195144.db2.gz BLOAKMJFAMMSFZ-IBGZPJMESA-N 1 2 343.471 3.564 20 0 EHADLO CCCCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000506475771 1023237918 /nfs/dbraw/zinc/23/79/18/1023237918.db2.gz ADUSUKPXACGZTQ-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)c[nH+]1 ZINC000459075282 1023248876 /nfs/dbraw/zinc/24/88/76/1023248876.db2.gz LJRSDNVUBJICEX-UHFFFAOYSA-N 1 2 339.439 3.526 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2nccs2)cc1 ZINC000198457278 1033117763 /nfs/dbraw/zinc/11/77/63/1033117763.db2.gz LDPJTIQOYFIUNE-MRXNPFEDSA-N 1 2 345.468 3.708 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2nccs2)cc1 ZINC000198457278 1033117767 /nfs/dbraw/zinc/11/77/67/1033117767.db2.gz LDPJTIQOYFIUNE-MRXNPFEDSA-N 1 2 345.468 3.708 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000602730438 1033119430 /nfs/dbraw/zinc/11/94/30/1033119430.db2.gz QQQSMCNCZQMILW-HXUWFJFHSA-N 1 2 343.471 3.811 20 0 EHADLO CSCCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441497266 1023287801 /nfs/dbraw/zinc/28/78/01/1023287801.db2.gz JNNAJCYJNFETGR-SFHVURJKSA-N 1 2 345.512 3.891 20 0 EHADLO COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000602737638 1033126261 /nfs/dbraw/zinc/12/62/61/1033126261.db2.gz GRGRDKWRQLPMFR-ZWKOTPCHSA-N 1 2 335.407 3.531 20 0 EHADLO CCC(CC)C(=O)N1CCC(Nc2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000891903088 1023364093 /nfs/dbraw/zinc/36/40/93/1023364093.db2.gz FKNNHWFSMQNSIJ-UHFFFAOYSA-N 1 2 344.503 3.892 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccs1)CC3 ZINC000092261357 1023366608 /nfs/dbraw/zinc/36/66/08/1023366608.db2.gz ODSUPMUGRCMMMX-UHFFFAOYSA-N 1 2 326.421 3.574 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccs1)CC3 ZINC000092261357 1023366614 /nfs/dbraw/zinc/36/66/14/1023366614.db2.gz ODSUPMUGRCMMMX-UHFFFAOYSA-N 1 2 326.421 3.574 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000891906650 1023373693 /nfs/dbraw/zinc/37/36/93/1023373693.db2.gz IPHQVFFWAZLIMC-UHFFFAOYSA-N 1 2 343.500 3.727 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000891906650 1023373705 /nfs/dbraw/zinc/37/37/05/1023373705.db2.gz IPHQVFFWAZLIMC-UHFFFAOYSA-N 1 2 343.500 3.727 20 0 EHADLO CCc1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000341820188 1023382939 /nfs/dbraw/zinc/38/29/39/1023382939.db2.gz XQPGXWVRWFRGRI-KRWDZBQOSA-N 1 2 339.464 3.872 20 0 EHADLO O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602761953 1033133571 /nfs/dbraw/zinc/13/35/71/1033133571.db2.gz CXQYZZCEKMUVGY-QGZVFWFLSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000455943419 1033135185 /nfs/dbraw/zinc/13/51/85/1033135185.db2.gz MXDDWOPFIYOYFO-AWEZNQCLSA-N 1 2 331.847 3.788 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000093637852 1023496778 /nfs/dbraw/zinc/49/67/78/1023496778.db2.gz IVEVPRUSHUUUHF-FQEVSTJZSA-N 1 2 345.462 3.566 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000093637852 1023496782 /nfs/dbraw/zinc/49/67/82/1023496782.db2.gz IVEVPRUSHUUUHF-FQEVSTJZSA-N 1 2 345.462 3.566 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000074720830 1023498981 /nfs/dbraw/zinc/49/89/81/1023498981.db2.gz XFGMLBOUOVQJBD-CQSZACIVSA-N 1 2 339.530 3.933 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000074720830 1023498984 /nfs/dbraw/zinc/49/89/84/1023498984.db2.gz XFGMLBOUOVQJBD-CQSZACIVSA-N 1 2 339.530 3.933 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000341873817 1023505371 /nfs/dbraw/zinc/50/53/71/1023505371.db2.gz GVBIEXRHPHYEMU-KMFMINBZSA-N 1 2 347.484 3.751 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582005991 1023507841 /nfs/dbraw/zinc/50/78/41/1023507841.db2.gz UOMKHQVEILEBLI-RBUKOAKNSA-N 1 2 339.483 3.624 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000302629239 1033141387 /nfs/dbraw/zinc/14/13/87/1033141387.db2.gz BBJYNNIWMWWVLF-IBGZPJMESA-N 1 2 340.492 3.602 20 0 EHADLO Cc1ccc(SCC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000302629239 1033141397 /nfs/dbraw/zinc/14/13/97/1033141397.db2.gz BBJYNNIWMWWVLF-IBGZPJMESA-N 1 2 340.492 3.602 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001143417154 1023589037 /nfs/dbraw/zinc/58/90/37/1023589037.db2.gz AQCXQKZJOQLZBY-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001143417154 1023589042 /nfs/dbraw/zinc/58/90/42/1023589042.db2.gz AQCXQKZJOQLZBY-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000535782089 1023630511 /nfs/dbraw/zinc/63/05/11/1023630511.db2.gz DTEQIONMGQWBLZ-FQEVSTJZSA-N 1 2 334.419 3.817 20 0 EHADLO COc1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000535782089 1023630515 /nfs/dbraw/zinc/63/05/15/1023630515.db2.gz DTEQIONMGQWBLZ-FQEVSTJZSA-N 1 2 334.419 3.817 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785530 1023633082 /nfs/dbraw/zinc/63/30/82/1023633082.db2.gz FPLLHANEOPZWDZ-CQSZACIVSA-N 1 2 330.863 3.923 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000535785530 1023633084 /nfs/dbraw/zinc/63/30/84/1023633084.db2.gz FPLLHANEOPZWDZ-CQSZACIVSA-N 1 2 330.863 3.923 20 0 EHADLO O=C(c1cccc2ncccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341895337 1023669621 /nfs/dbraw/zinc/66/96/21/1023669621.db2.gz ZPISUKMWCYBTBD-UHFFFAOYSA-N 1 2 348.450 3.764 20 0 EHADLO CCOc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341938617 1023709672 /nfs/dbraw/zinc/70/96/72/1023709672.db2.gz DOZRAJCLNVSVOO-SFHVURJKSA-N 1 2 335.407 3.969 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342027641 1023778079 /nfs/dbraw/zinc/77/80/79/1023778079.db2.gz XCMSGMNANRONAY-KBPBESRZSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342027641 1023778082 /nfs/dbraw/zinc/77/80/82/1023778082.db2.gz XCMSGMNANRONAY-KBPBESRZSA-N 1 2 346.215 3.871 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)Cc2cc3ccccc3o2)s1 ZINC000602786795 1033162628 /nfs/dbraw/zinc/16/26/28/1033162628.db2.gz YKPKBQPBNKCVIQ-UHFFFAOYSA-N 1 2 330.409 3.698 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2cc3ccccc3o2)s1 ZINC000602786795 1033162639 /nfs/dbraw/zinc/16/26/39/1033162639.db2.gz YKPKBQPBNKCVIQ-UHFFFAOYSA-N 1 2 330.409 3.698 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1Cc3ccc(Cl)cc3C1)C2 ZINC000458264385 1023820748 /nfs/dbraw/zinc/82/07/48/1023820748.db2.gz BPUJXLNAIGDARS-LBPRGKRZSA-N 1 2 343.858 3.834 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1Cc3ccc(Cl)cc3C1)CC2 ZINC000458264385 1023820754 /nfs/dbraw/zinc/82/07/54/1023820754.db2.gz BPUJXLNAIGDARS-LBPRGKRZSA-N 1 2 343.858 3.834 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)s1 ZINC000602769047 1033164925 /nfs/dbraw/zinc/16/49/25/1033164925.db2.gz QCIYTZRMKFPOHM-HNNXBMFYSA-N 1 2 334.416 3.796 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)s1 ZINC000602769047 1033164934 /nfs/dbraw/zinc/16/49/34/1033164934.db2.gz QCIYTZRMKFPOHM-HNNXBMFYSA-N 1 2 334.416 3.796 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@H](C)c3nc(C(=O)OC)co3)CC2)cc1 ZINC000602797259 1033169355 /nfs/dbraw/zinc/16/93/55/1033169355.db2.gz JOLZTYBYNRPGAU-CQSZACIVSA-N 1 2 340.423 3.874 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@H](C)c3nc(C(=O)OC)co3)CC2)cc1 ZINC000602797259 1033169362 /nfs/dbraw/zinc/16/93/62/1033169362.db2.gz JOLZTYBYNRPGAU-CQSZACIVSA-N 1 2 340.423 3.874 20 0 EHADLO CCOC(=O)CC[N@H+](C)Cc1csc(Nc2ccccc2C)n1 ZINC000610943542 1023891331 /nfs/dbraw/zinc/89/13/31/1023891331.db2.gz JFXYBSLPXAMNPS-UHFFFAOYSA-N 1 2 333.457 3.580 20 0 EHADLO CCOC(=O)CC[N@@H+](C)Cc1csc(Nc2ccccc2C)n1 ZINC000610943542 1023891341 /nfs/dbraw/zinc/89/13/41/1023891341.db2.gz JFXYBSLPXAMNPS-UHFFFAOYSA-N 1 2 333.457 3.580 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(Br)cs2)[nH]1 ZINC000277157381 1023893473 /nfs/dbraw/zinc/89/34/73/1023893473.db2.gz GLLBNCSBSDAASV-RKDXNWHRSA-N 1 2 343.294 3.993 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610949739 1023900877 /nfs/dbraw/zinc/90/08/77/1023900877.db2.gz CBJXCLZIYUISPU-SJLPKXTDSA-N 1 2 343.496 3.616 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535885562 1023941439 /nfs/dbraw/zinc/94/14/39/1023941439.db2.gz MFQBTJDYRBYIDQ-FUHWJXTLSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535885562 1023941442 /nfs/dbraw/zinc/94/14/42/1023941442.db2.gz MFQBTJDYRBYIDQ-FUHWJXTLSA-N 1 2 338.854 3.921 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)[nH]1 ZINC000277175310 1023996307 /nfs/dbraw/zinc/99/63/07/1023996307.db2.gz IEQNAQISTDFZCI-RYUDHWBXSA-N 1 2 328.416 3.924 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC000459108439 1023998604 /nfs/dbraw/zinc/99/86/04/1023998604.db2.gz IBBPZDXWPGFGHI-HNNXBMFYSA-N 1 2 332.492 3.577 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1F ZINC000150995975 1024012470 /nfs/dbraw/zinc/01/24/70/1024012470.db2.gz NIGCDPJGBYKRFF-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1F ZINC000150995975 1024012482 /nfs/dbraw/zinc/01/24/82/1024012482.db2.gz NIGCDPJGBYKRFF-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513992784 1024020776 /nfs/dbraw/zinc/02/07/76/1024020776.db2.gz VBFGTHCYKVVLQD-SFHVURJKSA-N 1 2 328.843 3.744 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccncc3)n2)ccc1F ZINC000151113466 1024052213 /nfs/dbraw/zinc/05/22/13/1024052213.db2.gz NJIUFZPJBAYYDS-CHWSQXEVSA-N 1 2 326.375 3.991 20 0 EHADLO CSCC[N@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152331631 1024083956 /nfs/dbraw/zinc/08/39/56/1024083956.db2.gz BSPYGUNRICPETJ-NSHDSACASA-N 1 2 325.865 3.670 20 0 EHADLO CSCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152331631 1024083974 /nfs/dbraw/zinc/08/39/74/1024083974.db2.gz BSPYGUNRICPETJ-NSHDSACASA-N 1 2 325.865 3.670 20 0 EHADLO Cc1ccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)cn1 ZINC000443523540 1024101736 /nfs/dbraw/zinc/10/17/36/1024101736.db2.gz PSNGZIPSEFWUSF-UHFFFAOYSA-N 1 2 346.203 3.874 20 0 EHADLO Cc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000151457062 1024112336 /nfs/dbraw/zinc/11/23/36/1024112336.db2.gz CKOSLJFQXUOFRH-INIZCTEOSA-N 1 2 326.444 3.524 20 0 EHADLO CC(C)c1ccc(C2(C(=O)N3CC(n4cc[nH+]c4)C3)CCCC2)cc1 ZINC000522258012 1024114795 /nfs/dbraw/zinc/11/47/95/1024114795.db2.gz OUUVCTFTLCWCFL-UHFFFAOYSA-N 1 2 337.467 3.902 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000522275848 1024134564 /nfs/dbraw/zinc/13/45/64/1024134564.db2.gz DIOABGPACZNEQR-QGZVFWFLSA-N 1 2 346.519 3.686 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000151527272 1024154144 /nfs/dbraw/zinc/15/41/44/1024154144.db2.gz SUKKCLBMWSBCRD-ZDUSSCGKSA-N 1 2 332.835 3.560 20 0 EHADLO CCCC[C@H]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001269809709 1024156403 /nfs/dbraw/zinc/15/64/03/1024156403.db2.gz NDAAFGOAPIDJDD-IYARVYRRSA-N 1 2 343.515 3.656 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCCC(C)(C)C2)c1C ZINC000443563608 1024161419 /nfs/dbraw/zinc/16/14/19/1024161419.db2.gz HVIDZJVHVIZBQW-OAHLLOKOSA-N 1 2 333.476 3.817 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C1CCCCC1 ZINC000514155605 1024187605 /nfs/dbraw/zinc/18/76/05/1024187605.db2.gz JBXITFBENDPRGH-QZTJIDSGSA-N 1 2 343.515 3.893 20 0 EHADLO Cc1nc(NC(=O)Cn2cc[nH+]c2)sc1Cc1cccc(Cl)c1 ZINC000072992288 1024198025 /nfs/dbraw/zinc/19/80/25/1024198025.db2.gz OZJMBPWIXFUTBH-UHFFFAOYSA-N 1 2 346.843 3.531 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc5[nH]ccc5c4)no3)[nH+]c12 ZINC000546314412 1024212816 /nfs/dbraw/zinc/21/28/16/1024212816.db2.gz WOYHPDBIDLAOPC-UHFFFAOYSA-N 1 2 329.363 3.765 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1cn(C(C)C)nn1 ZINC000342136834 1024216767 /nfs/dbraw/zinc/21/67/67/1024216767.db2.gz HSYIDWOKVAWIJP-OAHLLOKOSA-N 1 2 326.366 3.951 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1cccnc1Cl ZINC000053076154 1024219670 /nfs/dbraw/zinc/21/96/70/1024219670.db2.gz FJNLTTAOFJCJNE-HNNXBMFYSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1cccnc1Cl ZINC000053076154 1024219682 /nfs/dbraw/zinc/21/96/82/1024219682.db2.gz FJNLTTAOFJCJNE-HNNXBMFYSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cccnc1Cl ZINC000053076155 1024220797 /nfs/dbraw/zinc/22/07/97/1024220797.db2.gz FJNLTTAOFJCJNE-OAHLLOKOSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cccnc1Cl ZINC000053076155 1024220814 /nfs/dbraw/zinc/22/08/14/1024220814.db2.gz FJNLTTAOFJCJNE-OAHLLOKOSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000783543480 1024232834 /nfs/dbraw/zinc/23/28/34/1024232834.db2.gz RTHFHXFLFNAQKS-UONOGXRCSA-N 1 2 339.222 3.927 20 0 EHADLO CCCc1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000342162813 1024276046 /nfs/dbraw/zinc/27/60/46/1024276046.db2.gz JPBAZRNWSTXUNN-UHFFFAOYSA-N 1 2 344.415 3.981 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@]1(C)O ZINC001141769704 1024319694 /nfs/dbraw/zinc/31/96/94/1024319694.db2.gz YUIOACPKFIVHQF-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@]1(C)O ZINC001141769704 1024319708 /nfs/dbraw/zinc/31/97/08/1024319708.db2.gz YUIOACPKFIVHQF-MEBBXXQBSA-N 1 2 348.231 3.710 20 0 EHADLO Cc1cc(CNc2ccc([C@H](C)CC(N)=O)cc2)c2c([nH+]1)CCCC2 ZINC000897838764 1033202645 /nfs/dbraw/zinc/20/26/45/1033202645.db2.gz QUHUWYSWVWZENO-CQSZACIVSA-N 1 2 337.467 3.860 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1F ZINC000505485041 1024340590 /nfs/dbraw/zinc/34/05/90/1024340590.db2.gz XJZSEVGVZUZTIS-AUUYWEPGSA-N 1 2 344.405 3.632 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505490207 1024350608 /nfs/dbraw/zinc/35/06/08/1024350608.db2.gz ARGXJRVALZPLHO-IBGZPJMESA-N 1 2 326.415 3.565 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c(C)c1OC ZINC000342191625 1024354170 /nfs/dbraw/zinc/35/41/70/1024354170.db2.gz QXOUHRRVVWQAIQ-GFCCVEGCSA-N 1 2 333.432 3.544 20 0 EHADLO c1ccc(-c2nsc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895353451 1024368670 /nfs/dbraw/zinc/36/86/70/1024368670.db2.gz UPLYEFYUIFXIQN-UHFFFAOYSA-N 1 2 337.452 3.681 20 0 EHADLO c1ccc(Oc2ccnc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895354595 1024370269 /nfs/dbraw/zinc/37/02/69/1024370269.db2.gz QXMVUQFLFOWUQC-UHFFFAOYSA-N 1 2 347.422 3.745 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)C/C(C)=C\c2ccccc2)s1 ZINC000602819645 1033206037 /nfs/dbraw/zinc/20/60/37/1033206037.db2.gz HZKXLSRLIWEOPK-UVTDQMKNSA-N 1 2 330.453 3.855 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)C/C(C)=C\c2ccccc2)s1 ZINC000602819645 1033206054 /nfs/dbraw/zinc/20/60/54/1033206054.db2.gz HZKXLSRLIWEOPK-UVTDQMKNSA-N 1 2 330.453 3.855 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CCC2CCCCC2)CC[NH2+]1 ZINC000505506411 1024388118 /nfs/dbraw/zinc/38/81/18/1024388118.db2.gz MJGZXXLNZMYHBK-GOSISDBHSA-N 1 2 330.472 3.529 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H](CO)c1ccccc1 ZINC000342202879 1024389775 /nfs/dbraw/zinc/38/97/75/1024389775.db2.gz LDTHLLHNNXNLCY-LJQANCHMSA-N 1 2 341.842 3.691 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H](CO)c1ccccc1 ZINC000342202879 1024389791 /nfs/dbraw/zinc/38/97/91/1024389791.db2.gz LDTHLLHNNXNLCY-LJQANCHMSA-N 1 2 341.842 3.691 20 0 EHADLO CC(C)CCOC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000194336892 1024399934 /nfs/dbraw/zinc/39/99/34/1024399934.db2.gz UZKBCSZRLPAGDB-HNNXBMFYSA-N 1 2 343.471 3.511 20 0 EHADLO CC[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425185530 1024419053 /nfs/dbraw/zinc/41/90/53/1024419053.db2.gz HAIBIHHLFZJKQH-SJLPKXTDSA-N 1 2 325.456 3.970 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522400839 1024442161 /nfs/dbraw/zinc/44/21/61/1024442161.db2.gz JRMXOPZLVZBFHU-SFHVURJKSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2cccc(F)c2)C(C)C)c[nH+]1 ZINC000459127661 1024452555 /nfs/dbraw/zinc/45/25/55/1024452555.db2.gz SNIKEKZDMSPCRA-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)ccn12 ZINC001125566950 1024453081 /nfs/dbraw/zinc/45/30/81/1024453081.db2.gz ONUXFXHSBMUFBA-UHFFFAOYSA-N 1 2 328.803 3.614 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4CCO[C@H](C(C)C)C4)n3)[nH+]c12 ZINC000923878009 1024465497 /nfs/dbraw/zinc/46/54/97/1024465497.db2.gz UAMLCKLZCPYHGN-HOCLYGCPSA-N 1 2 340.427 3.535 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000282030770 1024482834 /nfs/dbraw/zinc/48/28/34/1024482834.db2.gz XWMYMOJVIBJTFI-JTQLQIEISA-N 1 2 326.227 3.537 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1Cc1ccccc1Cl ZINC000346210326 1024501166 /nfs/dbraw/zinc/50/11/66/1024501166.db2.gz CYPMGDWTPSYEKW-GJZGRUSLSA-N 1 2 343.858 3.717 20 0 EHADLO Cc1cc(C(F)(F)F)cnc1NCc1nc(C[NH+](C)C)cs1 ZINC000895478777 1024550665 /nfs/dbraw/zinc/55/06/65/1024550665.db2.gz AGLMTBQPLKDRCI-UHFFFAOYSA-N 1 2 330.379 3.539 20 0 EHADLO COc1cccc2c(NCc3nc(CN(C)C)cs3)c(C)c[nH+]c12 ZINC000895480251 1024551738 /nfs/dbraw/zinc/55/17/38/1024551738.db2.gz FDJNRDQKRMNPOF-UHFFFAOYSA-N 1 2 342.468 3.682 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000514593285 1024589384 /nfs/dbraw/zinc/58/93/84/1024589384.db2.gz MLZQEUAEPRCSKJ-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO O=C(C[C@@H]1CCC2(CCC2)O1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000895560894 1024612378 /nfs/dbraw/zinc/61/23/78/1024612378.db2.gz ZMODZTSONUNKJX-HNNXBMFYSA-N 1 2 349.500 3.559 20 0 EHADLO COc1ccnc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884667 1024618292 /nfs/dbraw/zinc/61/82/92/1024618292.db2.gz HBTAGJJAFGCBBZ-HOTGVXAUSA-N 1 2 336.395 3.696 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665198407 1024621030 /nfs/dbraw/zinc/62/10/30/1024621030.db2.gz XCSOXBUERYIYJD-HNNXBMFYSA-N 1 2 344.484 3.865 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)o1 ZINC000514635281 1024623413 /nfs/dbraw/zinc/62/34/13/1024623413.db2.gz SUBWVZKDPDIOGX-UHFFFAOYSA-N 1 2 332.158 3.802 20 0 EHADLO CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001625933596 1024625132 /nfs/dbraw/zinc/62/51/32/1024625132.db2.gz ZEMGQGGJXFZGOM-GJZGRUSLSA-N 1 2 331.435 3.597 20 0 EHADLO CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001625933596 1024625142 /nfs/dbraw/zinc/62/51/42/1024625142.db2.gz ZEMGQGGJXFZGOM-GJZGRUSLSA-N 1 2 331.435 3.597 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000435115685 1024631120 /nfs/dbraw/zinc/63/11/20/1024631120.db2.gz INMNOEFCUWSKPY-CQSZACIVSA-N 1 2 342.443 3.999 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000435115685 1024631125 /nfs/dbraw/zinc/63/11/25/1024631125.db2.gz INMNOEFCUWSKPY-CQSZACIVSA-N 1 2 342.443 3.999 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000346355882 1024649803 /nfs/dbraw/zinc/64/98/03/1024649803.db2.gz LCADYLMTWYXZJX-OAHLLOKOSA-N 1 2 342.443 3.662 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000729543791 1024662756 /nfs/dbraw/zinc/66/27/56/1024662756.db2.gz QFEQSSXYUGOLSR-UHFFFAOYSA-N 1 2 343.920 3.909 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000729543791 1024662760 /nfs/dbraw/zinc/66/27/60/1024662760.db2.gz QFEQSSXYUGOLSR-UHFFFAOYSA-N 1 2 343.920 3.909 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cc3n(n2)CCC3)c2cccs2)cc1 ZINC000657294341 1024667687 /nfs/dbraw/zinc/66/76/87/1024667687.db2.gz NHMNFLXVHLZAQW-SFHVURJKSA-N 1 2 327.428 3.909 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000281125962 1024678430 /nfs/dbraw/zinc/67/84/30/1024678430.db2.gz MZBLOQHCGMMCQF-MRXNPFEDSA-N 1 2 329.444 3.647 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC000281125962 1024678438 /nfs/dbraw/zinc/67/84/38/1024678438.db2.gz MZBLOQHCGMMCQF-MRXNPFEDSA-N 1 2 329.444 3.647 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccoc2Cl)c(C)c1 ZINC000346379509 1024694294 /nfs/dbraw/zinc/69/42/94/1024694294.db2.gz IACXYJKQXOLCJZ-MRXNPFEDSA-N 1 2 343.814 3.918 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000474308365 1024720875 /nfs/dbraw/zinc/72/08/75/1024720875.db2.gz CBMFQJPPJVUKPP-UHFFFAOYSA-N 1 2 345.251 3.912 20 0 EHADLO CSC[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425310594 1024723599 /nfs/dbraw/zinc/72/35/99/1024723599.db2.gz HTLKJUZUSAHGBU-NVXWUHKLSA-N 1 2 343.496 3.533 20 0 EHADLO COCC(C)(C)CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425310358 1024727634 /nfs/dbraw/zinc/72/76/34/1024727634.db2.gz XLMIRNBWLMSSIB-KRWDZBQOSA-N 1 2 343.471 3.501 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](N3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000413564687 1033231786 /nfs/dbraw/zinc/23/17/86/1033231786.db2.gz FSZNMBOBRBGXAL-INIZCTEOSA-N 1 2 344.503 3.705 20 0 EHADLO OCc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1F ZINC000346441141 1024734578 /nfs/dbraw/zinc/73/45/78/1024734578.db2.gz KOHQSTLMMGDFDR-HXUWFJFHSA-N 1 2 340.373 3.731 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000505639499 1024734971 /nfs/dbraw/zinc/73/49/71/1024734971.db2.gz QOWUHNIPOXPWJN-KDOFPFPSSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000505639499 1024734981 /nfs/dbraw/zinc/73/49/81/1024734981.db2.gz QOWUHNIPOXPWJN-KDOFPFPSSA-N 1 2 342.439 3.872 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000435243386 1024737792 /nfs/dbraw/zinc/73/77/92/1024737792.db2.gz UMNBVAFLRJPOIH-NSHDSACASA-N 1 2 333.325 3.620 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000435243386 1024737802 /nfs/dbraw/zinc/73/78/02/1024737802.db2.gz UMNBVAFLRJPOIH-NSHDSACASA-N 1 2 333.325 3.620 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000425319227 1024748679 /nfs/dbraw/zinc/74/86/79/1024748679.db2.gz AFIVMSCZRZGMHT-QGZVFWFLSA-N 1 2 337.826 3.830 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCCCC1)c1cccc(F)c1 ZINC000507910650 1024759983 /nfs/dbraw/zinc/75/99/83/1024759983.db2.gz XHLBERPMNWBXJW-IBGZPJMESA-N 1 2 345.462 3.978 20 0 EHADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc(-c3ccccc3)cs2)C2CC2)C1 ZINC000157081242 1024763118 /nfs/dbraw/zinc/76/31/18/1024763118.db2.gz SCQLXWMCCGHJNJ-QGZVFWFLSA-N 1 2 347.505 3.567 20 0 EHADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(-c3ccccc3)cs2)C2CC2)C1 ZINC000157081242 1024763131 /nfs/dbraw/zinc/76/31/31/1024763131.db2.gz SCQLXWMCCGHJNJ-QGZVFWFLSA-N 1 2 347.505 3.567 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c(=O)c2ccccc12 ZINC000054549610 1033238328 /nfs/dbraw/zinc/23/83/28/1033238328.db2.gz IMRHIUCLTAKVPN-IBGZPJMESA-N 1 2 347.462 3.760 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H]2CCc2ccccc2)c(=O)c2ccccc12 ZINC000054549610 1033238334 /nfs/dbraw/zinc/23/83/34/1033238334.db2.gz IMRHIUCLTAKVPN-IBGZPJMESA-N 1 2 347.462 3.760 20 0 EHADLO O[C@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141838066 1024786199 /nfs/dbraw/zinc/78/61/99/1024786199.db2.gz ZSRNACHWDCGYJF-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO O[C@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141838066 1024786223 /nfs/dbraw/zinc/78/62/23/1024786223.db2.gz ZSRNACHWDCGYJF-JTQLQIEISA-N 1 2 336.632 3.588 20 0 EHADLO CN(C)c1[nH+]cc(CN(Cc2cccs2)Cc2cccs2)n1C ZINC000425332109 1024791536 /nfs/dbraw/zinc/79/15/36/1024791536.db2.gz ZWFDHIVVNLMLQE-UHFFFAOYSA-N 1 2 346.525 3.812 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1Cl ZINC000563203751 1024798819 /nfs/dbraw/zinc/79/88/19/1024798819.db2.gz HKVJQBCAEDXFTO-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2[nH]c(=O)oc2c1 ZINC000895774988 1024818356 /nfs/dbraw/zinc/81/83/56/1024818356.db2.gz KHAOCOLAVDIKFM-ZETCQYMHSA-N 1 2 343.330 3.860 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2oc3ccccc3c2C)c[nH+]1 ZINC000895774061 1024819303 /nfs/dbraw/zinc/81/93/03/1024819303.db2.gz JBQQGNZHTVDCNJ-CQSZACIVSA-N 1 2 325.412 3.859 20 0 EHADLO COC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000346522003 1024823917 /nfs/dbraw/zinc/82/39/17/1024823917.db2.gz JZKOHVULCOEUNJ-GJZGRUSLSA-N 1 2 343.345 3.699 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000346523323 1024825494 /nfs/dbraw/zinc/82/54/94/1024825494.db2.gz ZYHBADDERIFATQ-UHFFFAOYSA-N 1 2 331.485 3.772 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000346523323 1024825517 /nfs/dbraw/zinc/82/55/17/1024825517.db2.gz ZYHBADDERIFATQ-UHFFFAOYSA-N 1 2 331.485 3.772 20 0 EHADLO O=C(CCC(F)F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684708981 1024836779 /nfs/dbraw/zinc/83/67/79/1024836779.db2.gz GMWBAEZILJVARP-UHFFFAOYSA-N 1 2 341.789 3.611 20 0 EHADLO CC[C@@H](c1ccccc1)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC001167510431 1024841884 /nfs/dbraw/zinc/84/18/84/1024841884.db2.gz WIJSMTNSVDRPKX-FCHUYYIVSA-N 1 2 338.495 3.879 20 0 EHADLO CCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000080548693 1024856745 /nfs/dbraw/zinc/85/67/45/1024856745.db2.gz DXOLEEUPPOQOJW-SFHVURJKSA-N 1 2 340.471 3.678 20 0 EHADLO CC(C)n1cnc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000281310059 1024876110 /nfs/dbraw/zinc/87/61/10/1024876110.db2.gz RUOOKDGDXIMOBK-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO OCc1cccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346547037 1024883996 /nfs/dbraw/zinc/88/39/96/1024883996.db2.gz AZXXOCFPVQIFBE-HXUWFJFHSA-N 1 2 340.373 3.731 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+](C)CCCOc2ccc(Cl)cc2)s1 ZINC000283658176 1024891783 /nfs/dbraw/zinc/89/17/83/1024891783.db2.gz ULOVBIJLSIVENK-LLVKDONJSA-N 1 2 325.865 3.962 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCOc2ccc(Cl)cc2)s1 ZINC000283658176 1024891794 /nfs/dbraw/zinc/89/17/94/1024891794.db2.gz ULOVBIJLSIVENK-LLVKDONJSA-N 1 2 325.865 3.962 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000346598469 1024910121 /nfs/dbraw/zinc/91/01/21/1024910121.db2.gz GHLZZLJNRNRBFF-YOEHRIQHSA-N 1 2 340.389 3.546 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000346598469 1024910125 /nfs/dbraw/zinc/91/01/25/1024910125.db2.gz GHLZZLJNRNRBFF-YOEHRIQHSA-N 1 2 340.389 3.546 20 0 EHADLO CC(C)[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000346614152 1024926714 /nfs/dbraw/zinc/92/67/14/1024926714.db2.gz XDLHKTOSYBBTQE-UHFFFAOYSA-N 1 2 328.431 3.695 20 0 EHADLO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000346614152 1024926722 /nfs/dbraw/zinc/92/67/22/1024926722.db2.gz XDLHKTOSYBBTQE-UHFFFAOYSA-N 1 2 328.431 3.695 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000505698661 1024938816 /nfs/dbraw/zinc/93/88/16/1024938816.db2.gz ADSFBQFFIWMHPT-RTBURBONSA-N 1 2 325.456 3.876 20 0 EHADLO FC(F)c1noc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000425383193 1024940121 /nfs/dbraw/zinc/94/01/21/1024940121.db2.gz KGLGIYCCZJZZGE-UHFFFAOYSA-N 1 2 332.354 3.868 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)o1 ZINC000115611216 1024946541 /nfs/dbraw/zinc/94/65/41/1024946541.db2.gz AVWYUENEDMSEEG-IBGZPJMESA-N 1 2 338.382 3.710 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1ccccc1 ZINC000068406687 1024961750 /nfs/dbraw/zinc/96/17/50/1024961750.db2.gz ASFHVYBDAPWUMU-FQEVSTJZSA-N 1 2 335.451 3.549 20 0 EHADLO Cc1ccc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccnc2n1 ZINC000435503906 1024969620 /nfs/dbraw/zinc/96/96/20/1024969620.db2.gz FFNWFZBIBHVSAJ-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c2cc(F)ccc21 ZINC000435523288 1024976265 /nfs/dbraw/zinc/97/62/65/1024976265.db2.gz UIQLPIVRWXOEOP-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO CSCc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760074526 1024976635 /nfs/dbraw/zinc/97/66/35/1024976635.db2.gz ZKPIEGJOOHPGSN-INIZCTEOSA-N 1 2 346.500 3.983 20 0 EHADLO Cc1ccc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1F ZINC000346634932 1024976692 /nfs/dbraw/zinc/97/66/92/1024976692.db2.gz OGQVWYFWEPLESC-UHFFFAOYSA-N 1 2 345.393 3.589 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000281370613 1024977791 /nfs/dbraw/zinc/97/77/91/1024977791.db2.gz NTHICXVBCAGXJO-CYBMUJFWSA-N 1 2 330.453 3.738 20 0 EHADLO COc1nccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c1F ZINC000895935314 1024991289 /nfs/dbraw/zinc/99/12/89/1024991289.db2.gz SSQXZUGIODWMPK-UHFFFAOYSA-N 1 2 349.715 3.586 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1C ZINC000515063132 1024992957 /nfs/dbraw/zinc/99/29/57/1024992957.db2.gz IICOXXGVKQOHQT-YLJYHZDGSA-N 1 2 337.467 3.816 20 0 EHADLO CCc1cccnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000346660915 1024997441 /nfs/dbraw/zinc/99/74/41/1024997441.db2.gz SNGCTSDSCPQMRH-UHFFFAOYSA-N 1 2 326.787 3.735 20 0 EHADLO Cc1noc(C[C@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc2)n1 ZINC000277418067 1025027813 /nfs/dbraw/zinc/02/78/13/1025027813.db2.gz GIXIXMNZUMOWMF-INIZCTEOSA-N 1 2 340.452 3.786 20 0 EHADLO COCC1C[NH+](Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1 ZINC000895972210 1025027948 /nfs/dbraw/zinc/02/79/48/1025027948.db2.gz SZARVAVTOSTYAI-UHFFFAOYSA-N 1 2 340.254 3.566 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c2cc(F)ccc21 ZINC000435615056 1025035536 /nfs/dbraw/zinc/03/55/36/1025035536.db2.gz HXHQNYQKPWMMES-UHFFFAOYSA-N 1 2 334.354 3.960 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@H]4C[C@]4(F)c4ccccc4)n3)[nH+]c12 ZINC000515146095 1025044058 /nfs/dbraw/zinc/04/40/58/1025044058.db2.gz FRGMGUMWHCIUKY-UZLBHIALSA-N 1 2 348.381 3.969 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246384135 1124101597 /nfs/dbraw/zinc/10/15/97/1124101597.db2.gz PAXRXOKBCNREBI-SKDRFNHKSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246384135 1124101598 /nfs/dbraw/zinc/10/15/98/1124101598.db2.gz PAXRXOKBCNREBI-SKDRFNHKSA-N 1 2 338.167 3.509 20 0 EHADLO Fc1c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cccc1OC1CC1 ZINC000657316067 1025059460 /nfs/dbraw/zinc/05/94/60/1025059460.db2.gz HSINVILAUONOQR-AWEZNQCLSA-N 1 2 347.352 3.910 20 0 EHADLO Fc1c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cccc1OC1CC1 ZINC000657316067 1025059470 /nfs/dbraw/zinc/05/94/70/1025059470.db2.gz HSINVILAUONOQR-AWEZNQCLSA-N 1 2 347.352 3.910 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000515231710 1025098959 /nfs/dbraw/zinc/09/89/59/1025098959.db2.gz GSIMIRKBFNROCR-CXAGYDPISA-N 1 2 340.423 3.749 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000515231710 1025098968 /nfs/dbraw/zinc/09/89/68/1025098968.db2.gz GSIMIRKBFNROCR-CXAGYDPISA-N 1 2 340.423 3.749 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@](=O)C1 ZINC000277440518 1025102234 /nfs/dbraw/zinc/10/22/34/1025102234.db2.gz KBQIPNSULRXVOK-QMHKHESXSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@](=O)C1 ZINC000277440518 1025102240 /nfs/dbraw/zinc/10/22/40/1025102240.db2.gz KBQIPNSULRXVOK-QMHKHESXSA-N 1 2 329.465 3.679 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000346795286 1025140320 /nfs/dbraw/zinc/14/03/20/1025140320.db2.gz ILYWQTATWCHJSP-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000346795286 1025140325 /nfs/dbraw/zinc/14/03/25/1025140325.db2.gz ILYWQTATWCHJSP-OAHLLOKOSA-N 1 2 327.384 3.573 20 0 EHADLO O=C(Nc1c(F)cc(F)cc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342385033 1025141341 /nfs/dbraw/zinc/14/13/41/1025141341.db2.gz PZBDPJOVWXCYJM-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCC2CC2)C[C@H](C)O1 ZINC000157811750 1025162589 /nfs/dbraw/zinc/16/25/89/1025162589.db2.gz VDMUEXVMMMRYKO-HOTGVXAUSA-N 1 2 345.487 3.560 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c(C)c1 ZINC000515328160 1025166557 /nfs/dbraw/zinc/16/65/57/1025166557.db2.gz MJOPHUHOMXYYDC-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)c(C)c1 ZINC000515328160 1025166564 /nfs/dbraw/zinc/16/65/64/1025166564.db2.gz MJOPHUHOMXYYDC-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000896151115 1025187865 /nfs/dbraw/zinc/18/78/65/1025187865.db2.gz CHKJZFFTSFLZAU-FQEVSTJZSA-N 1 2 337.467 3.947 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444033809 1025191684 /nfs/dbraw/zinc/19/16/84/1025191684.db2.gz OSYXSJLMTPRIQM-IAGOWNOFSA-N 1 2 334.508 3.910 20 0 EHADLO C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000546393202 1025223071 /nfs/dbraw/zinc/22/30/71/1025223071.db2.gz BQRVKUTZFISRKR-NJAFHUGGSA-N 1 2 341.455 3.937 20 0 EHADLO C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000546393202 1025223081 /nfs/dbraw/zinc/22/30/81/1025223081.db2.gz BQRVKUTZFISRKR-NJAFHUGGSA-N 1 2 341.455 3.937 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cs1 ZINC001141878887 1025228397 /nfs/dbraw/zinc/22/83/97/1025228397.db2.gz SCGNDOVUMHVKEQ-CYBMUJFWSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cs1 ZINC001141878887 1025228407 /nfs/dbraw/zinc/22/84/07/1025228407.db2.gz SCGNDOVUMHVKEQ-CYBMUJFWSA-N 1 2 327.375 3.764 20 0 EHADLO C[C@H](Cc1cccs1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342409806 1025244257 /nfs/dbraw/zinc/24/42/57/1025244257.db2.gz SEGAALNKOBSFNN-RHSMWYFYSA-N 1 2 339.464 3.741 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896224639 1025244698 /nfs/dbraw/zinc/24/46/98/1025244698.db2.gz LQYSQMXYJWDEEB-NSHDSACASA-N 1 2 340.411 3.873 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896224639 1025244706 /nfs/dbraw/zinc/24/47/06/1025244706.db2.gz LQYSQMXYJWDEEB-NSHDSACASA-N 1 2 340.411 3.873 20 0 EHADLO COc1ccncc1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000346883491 1025253697 /nfs/dbraw/zinc/25/36/97/1025253697.db2.gz LTJPOXUBCGFQEH-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccn1 ZINC000375666019 1025254005 /nfs/dbraw/zinc/25/40/05/1025254005.db2.gz SIWKYKZQXKMLBQ-LAUBAEHRSA-N 1 2 348.450 3.580 20 0 EHADLO CCCC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC)cc1 ZINC000152168464 1025259842 /nfs/dbraw/zinc/25/98/42/1025259842.db2.gz OLNLXFQNBKFWPN-QFBILLFUSA-N 1 2 341.455 3.502 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000521198906 1025271996 /nfs/dbraw/zinc/27/19/96/1025271996.db2.gz UKFTYJVDFZZORF-QRWLVFNGSA-N 1 2 326.440 3.848 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000521198906 1025272009 /nfs/dbraw/zinc/27/20/09/1025272009.db2.gz UKFTYJVDFZZORF-QRWLVFNGSA-N 1 2 326.440 3.848 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001143436157 1025282541 /nfs/dbraw/zinc/28/25/41/1025282541.db2.gz KXWJSDCKTLRLQL-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001143436157 1025282555 /nfs/dbraw/zinc/28/25/55/1025282555.db2.gz KXWJSDCKTLRLQL-AWEZNQCLSA-N 1 2 335.753 3.994 20 0 EHADLO COc1cccc([C@H](C)CCCc2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000346903075 1025282653 /nfs/dbraw/zinc/28/26/53/1025282653.db2.gz VSNZACGNJRIDKX-CQSZACIVSA-N 1 2 340.427 3.529 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c[nH+]1 ZINC000896256537 1025288436 /nfs/dbraw/zinc/28/84/36/1025288436.db2.gz AJUKSUXWGGGGGY-UHFFFAOYSA-N 1 2 346.862 3.819 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CO2 ZINC000342416376 1025305030 /nfs/dbraw/zinc/30/50/30/1025305030.db2.gz LQAXWDOZOBDVPK-TZMCWYRMSA-N 1 2 336.844 3.871 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000442406971 1025306744 /nfs/dbraw/zinc/30/67/44/1025306744.db2.gz HULAKPQJGQIYQR-UHFFFAOYSA-N 1 2 335.407 3.804 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000371174638 1033274850 /nfs/dbraw/zinc/27/48/50/1033274850.db2.gz IYTZVMUHLOHAMT-UHFFFAOYSA-N 1 2 329.831 3.501 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000371174638 1033274865 /nfs/dbraw/zinc/27/48/65/1033274865.db2.gz IYTZVMUHLOHAMT-UHFFFAOYSA-N 1 2 329.831 3.501 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474693817 1025351137 /nfs/dbraw/zinc/35/11/37/1025351137.db2.gz DOTHQLXOLZROKI-OALUTQOASA-N 1 2 325.456 3.764 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000684763226 1025364667 /nfs/dbraw/zinc/36/46/67/1025364667.db2.gz ZCVGIAACTPSRTE-AULYBMBSSA-N 1 2 347.344 3.740 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000347002692 1025384566 /nfs/dbraw/zinc/38/45/66/1025384566.db2.gz JHDWJMOAAUANEW-RTBURBONSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H]1CC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000582141290 1025410511 /nfs/dbraw/zinc/41/05/11/1025410511.db2.gz MTGWUIFQOVKCNU-WMLDXEAASA-N 1 2 346.862 3.547 20 0 EHADLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2Cl)CCOc2ccccc21 ZINC000281743186 1025420613 /nfs/dbraw/zinc/42/06/13/1025420613.db2.gz QOHZQUBCZFFQJE-KRWDZBQOSA-N 1 2 338.234 3.753 20 0 EHADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036682 1025420834 /nfs/dbraw/zinc/42/08/34/1025420834.db2.gz RSFRDRCZDYLWFP-QFBILLFUSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036682 1025420847 /nfs/dbraw/zinc/42/08/47/1025420847.db2.gz RSFRDRCZDYLWFP-QFBILLFUSA-N 1 2 343.492 3.561 20 0 EHADLO COc1ccncc1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000347053927 1025449467 /nfs/dbraw/zinc/44/94/67/1025449467.db2.gz LJHILQDIDFQFEX-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO Cc1cc(C)c(/C=C/C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c(C)c1 ZINC000639233795 1025449578 /nfs/dbraw/zinc/44/95/78/1025449578.db2.gz TYTBVDQATWBIDT-XXIDSNJLSA-N 1 2 347.524 3.526 20 0 EHADLO Cc1cc(C)c(/C=C/C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c(C)c1 ZINC000639233795 1025449580 /nfs/dbraw/zinc/44/95/80/1025449580.db2.gz TYTBVDQATWBIDT-XXIDSNJLSA-N 1 2 347.524 3.526 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cnc3ccc(C)cc3c2)s1 ZINC000425494710 1025474084 /nfs/dbraw/zinc/47/40/84/1025474084.db2.gz XXSISVJKAXXFKJ-LBPRGKRZSA-N 1 2 341.436 3.637 20 0 EHADLO O=C(CSCc1ccccc1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000041976981 1025559070 /nfs/dbraw/zinc/55/90/70/1025559070.db2.gz MZZFSIIAIVTPDC-UHFFFAOYSA-N 1 2 347.509 3.611 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)[nH]1 ZINC000428302796 1025561179 /nfs/dbraw/zinc/56/11/79/1025561179.db2.gz RMRKEDYOWVRYLY-LBPRGKRZSA-N 1 2 343.406 3.588 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)[nH]1 ZINC000428302796 1025561190 /nfs/dbraw/zinc/56/11/90/1025561190.db2.gz RMRKEDYOWVRYLY-LBPRGKRZSA-N 1 2 343.406 3.588 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000522476177 1025564745 /nfs/dbraw/zinc/56/47/45/1025564745.db2.gz XEDGLLYVIFIVHV-GOSISDBHSA-N 1 2 344.455 3.863 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000442889010 1025570147 /nfs/dbraw/zinc/57/01/47/1025570147.db2.gz IRTMQDAGEFXHAG-CYBMUJFWSA-N 1 2 336.501 3.625 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1cccc(CSC2CCCC2)c1 ZINC000152313323 1025609605 /nfs/dbraw/zinc/60/96/05/1025609605.db2.gz QPZBYKMFEKCULL-UHFFFAOYSA-N 1 2 344.484 3.881 20 0 EHADLO COc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C2CC2)cc1Cl ZINC000655384119 1025609684 /nfs/dbraw/zinc/60/96/84/1025609684.db2.gz LLHUNYRLVJHMJO-LBPRGKRZSA-N 1 2 345.830 3.624 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200666 1025641818 /nfs/dbraw/zinc/64/18/18/1025641818.db2.gz NVGVAGDXFQMSKO-SUMWQHHRSA-N 1 2 329.831 3.757 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200666 1025641825 /nfs/dbraw/zinc/64/18/25/1025641825.db2.gz NVGVAGDXFQMSKO-SUMWQHHRSA-N 1 2 329.831 3.757 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200637 1025642238 /nfs/dbraw/zinc/64/22/38/1025642238.db2.gz NVGVAGDXFQMSKO-CXAGYDPISA-N 1 2 329.831 3.757 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000347200637 1025642246 /nfs/dbraw/zinc/64/22/46/1025642246.db2.gz NVGVAGDXFQMSKO-CXAGYDPISA-N 1 2 329.831 3.757 20 0 EHADLO C[C@H]1C[C@@H](CCNC(=O)N(C)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000444114001 1025655523 /nfs/dbraw/zinc/65/55/23/1025655523.db2.gz UUKFBFAHCWCDHE-DLBZAZTESA-N 1 2 334.508 3.767 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC1CCC2(CCCCC2)CC1 ZINC000530324799 1025660753 /nfs/dbraw/zinc/66/07/53/1025660753.db2.gz DBFBWHMCERJVJO-UHFFFAOYSA-N 1 2 332.492 3.856 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347196395 1025662329 /nfs/dbraw/zinc/66/23/29/1025662329.db2.gz AYOUHPCJZFOCLB-HUUCEWRRSA-N 1 2 329.469 3.544 20 0 EHADLO CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](CC)c1ccccc1 ZINC000370883478 1025671420 /nfs/dbraw/zinc/67/14/20/1025671420.db2.gz KXWYOBNPAWLPJN-QZTJIDSGSA-N 1 2 325.456 3.835 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657373908 1025674091 /nfs/dbraw/zinc/67/40/91/1025674091.db2.gz AOQONYUHUIQBGN-UHFFFAOYSA-N 1 2 327.350 3.569 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000664553597 1025685531 /nfs/dbraw/zinc/68/55/31/1025685531.db2.gz CVOXWYAGGOKKAI-ZLIFDBKOSA-N 1 2 339.430 3.540 20 0 EHADLO CC[C@H](C)N(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000664553597 1025685539 /nfs/dbraw/zinc/68/55/39/1025685539.db2.gz CVOXWYAGGOKKAI-ZLIFDBKOSA-N 1 2 339.430 3.540 20 0 EHADLO CC(C)c1csc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000530381174 1025715318 /nfs/dbraw/zinc/71/53/18/1025715318.db2.gz HRSKHQWUCDFUOQ-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1csc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000530381174 1025715333 /nfs/dbraw/zinc/71/53/33/1025715333.db2.gz HRSKHQWUCDFUOQ-NSHDSACASA-N 1 2 332.473 3.857 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000657382252 1025717952 /nfs/dbraw/zinc/71/79/52/1025717952.db2.gz JGSFOQFRXYYYJB-UHFFFAOYSA-N 1 2 339.361 3.718 20 0 EHADLO CCOc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000081316601 1025726388 /nfs/dbraw/zinc/72/63/88/1025726388.db2.gz GNCMSHCDMQSJNS-IBGZPJMESA-N 1 2 349.434 3.533 20 0 EHADLO COCC[C@@H](Cc1ccco1)Nc1cc[nH+]c2c(OC)cccc12 ZINC000436443375 1025729830 /nfs/dbraw/zinc/72/98/30/1025729830.db2.gz UHMOVFFDLSBGIE-AWEZNQCLSA-N 1 2 326.396 3.896 20 0 EHADLO Cc1ccc([C@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccn2)cc1 ZINC000530379417 1025734334 /nfs/dbraw/zinc/73/43/34/1025734334.db2.gz AARMBJXUXJTQGI-FQEVSTJZSA-N 1 2 330.435 3.989 20 0 EHADLO Cc1ccccc1-n1nccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000474879810 1025734544 /nfs/dbraw/zinc/73/45/44/1025734544.db2.gz DAUWRKMFGKLFSD-UHFFFAOYSA-N 1 2 333.439 3.788 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(Br)cc32)no1 ZINC000281943621 1025754724 /nfs/dbraw/zinc/75/47/24/1025754724.db2.gz BQEPUYFFFSRNAO-ZWNOBZJWSA-N 1 2 337.217 3.920 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482728 1025760059 /nfs/dbraw/zinc/76/00/59/1025760059.db2.gz BGEAIZPGXPHNCT-OXFYSEKESA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482728 1025760071 /nfs/dbraw/zinc/76/00/71/1025760071.db2.gz BGEAIZPGXPHNCT-OXFYSEKESA-N 1 2 345.870 3.705 20 0 EHADLO CC[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1COC1 ZINC000451289091 1025770554 /nfs/dbraw/zinc/77/05/54/1025770554.db2.gz VGUKBNRILWNOIC-UHFFFAOYSA-N 1 2 338.407 3.724 20 0 EHADLO CC[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1COC1 ZINC000451289091 1025770567 /nfs/dbraw/zinc/77/05/67/1025770567.db2.gz VGUKBNRILWNOIC-UHFFFAOYSA-N 1 2 338.407 3.724 20 0 EHADLO Cc1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc(C)c1Cl ZINC000443178909 1025773882 /nfs/dbraw/zinc/77/38/82/1025773882.db2.gz VHNSZXMMCLPROT-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO CC1(C)CCC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000443168782 1025778789 /nfs/dbraw/zinc/77/87/89/1025778789.db2.gz HUMOAAXFRVWVNI-MRXNPFEDSA-N 1 2 326.444 3.640 20 0 EHADLO Cc1[nH]c(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)[nH+]c1C ZINC000657388203 1025779832 /nfs/dbraw/zinc/77/98/32/1025779832.db2.gz HVHATLFNCCLYPE-NSHDSACASA-N 1 2 331.807 3.581 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000451311899 1025792089 /nfs/dbraw/zinc/79/20/89/1025792089.db2.gz IFJDHQIFBSNGDH-GJZGRUSLSA-N 1 2 347.484 3.927 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000451311899 1025792104 /nfs/dbraw/zinc/79/21/04/1025792104.db2.gz IFJDHQIFBSNGDH-GJZGRUSLSA-N 1 2 347.484 3.927 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1ccccc1OCC(C)C ZINC000347282932 1025803348 /nfs/dbraw/zinc/80/33/48/1025803348.db2.gz ZUDRHDWFRTZCTB-UHFFFAOYSA-N 1 2 328.456 3.765 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1ccccc1OCC(C)C ZINC000347282932 1025803357 /nfs/dbraw/zinc/80/33/57/1025803357.db2.gz ZUDRHDWFRTZCTB-UHFFFAOYSA-N 1 2 328.456 3.765 20 0 EHADLO O=C(CC1CCC(=O)CC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000530444163 1025849065 /nfs/dbraw/zinc/84/90/65/1025849065.db2.gz WBCFSYHJYUDEFV-UHFFFAOYSA-N 1 2 331.803 3.614 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000444166732 1025861898 /nfs/dbraw/zinc/86/18/98/1025861898.db2.gz KMJIYALTJJMQFH-XHDPSFHLSA-N 1 2 333.432 3.612 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000444166732 1025861914 /nfs/dbraw/zinc/86/19/14/1025861914.db2.gz KMJIYALTJJMQFH-XHDPSFHLSA-N 1 2 333.432 3.612 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2nccn2C(C)C)c1OC(F)F ZINC000657393445 1025893673 /nfs/dbraw/zinc/89/36/73/1025893673.db2.gz TWYFKWQJEUKJFV-UHFFFAOYSA-N 1 2 339.386 3.754 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000029810224 1025929341 /nfs/dbraw/zinc/92/93/41/1025929341.db2.gz LGJOCIMLELQIGP-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000029810224 1025929348 /nfs/dbraw/zinc/92/93/48/1025929348.db2.gz LGJOCIMLELQIGP-LBPRGKRZSA-N 1 2 332.494 3.855 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C[C@H]3C)nc(N)c2c1C ZINC000451402202 1025931818 /nfs/dbraw/zinc/93/18/18/1025931818.db2.gz ATDXYLRUZDZUDA-KCJUWKMLSA-N 1 2 342.365 3.585 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C[C@H]3C)nc(N)c2c1C ZINC000451402202 1025931829 /nfs/dbraw/zinc/93/18/29/1025931829.db2.gz ATDXYLRUZDZUDA-KCJUWKMLSA-N 1 2 342.365 3.585 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000451425354 1025965888 /nfs/dbraw/zinc/96/58/88/1025965888.db2.gz GWHIUZNPNKCJTP-INIZCTEOSA-N 1 2 342.773 3.505 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@](O)(C(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000451425354 1025965896 /nfs/dbraw/zinc/96/58/96/1025965896.db2.gz GWHIUZNPNKCJTP-INIZCTEOSA-N 1 2 342.773 3.505 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)s1 ZINC000352652442 1025979748 /nfs/dbraw/zinc/97/97/48/1025979748.db2.gz ODUMJQFZSCDSPJ-UHFFFAOYSA-N 1 2 334.510 3.638 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000516104438 1025984479 /nfs/dbraw/zinc/98/44/79/1025984479.db2.gz JDVKJOXRLATFMA-SFHVURJKSA-N 1 2 331.847 3.664 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000304061643 1025986629 /nfs/dbraw/zinc/98/66/29/1025986629.db2.gz PTQABHWCIFIWST-OAHLLOKOSA-N 1 2 344.436 3.577 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000304061643 1025986648 /nfs/dbraw/zinc/98/66/48/1025986648.db2.gz PTQABHWCIFIWST-OAHLLOKOSA-N 1 2 344.436 3.577 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000516134792 1026036267 /nfs/dbraw/zinc/03/62/67/1026036267.db2.gz SOEWTJMKFPKMLZ-QGZVFWFLSA-N 1 2 344.484 3.574 20 0 EHADLO O=C(C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCCC1 ZINC000443455680 1026060033 /nfs/dbraw/zinc/06/00/33/1026060033.db2.gz SJOMSSGHCGLMCL-LJQANCHMSA-N 1 2 346.833 3.781 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000516157295 1026066558 /nfs/dbraw/zinc/06/65/58/1026066558.db2.gz JCJHTWQAIOOODR-LJQANCHMSA-N 1 2 347.466 3.789 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000516157295 1026066573 /nfs/dbraw/zinc/06/65/73/1026066573.db2.gz JCJHTWQAIOOODR-LJQANCHMSA-N 1 2 347.466 3.789 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000516157294 1026067605 /nfs/dbraw/zinc/06/76/05/1026067605.db2.gz JCJHTWQAIOOODR-IBGZPJMESA-N 1 2 347.466 3.789 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000516157294 1026067619 /nfs/dbraw/zinc/06/76/19/1026067619.db2.gz JCJHTWQAIOOODR-IBGZPJMESA-N 1 2 347.466 3.789 20 0 EHADLO CO[C@](C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1F ZINC000192003823 1026084985 /nfs/dbraw/zinc/08/49/85/1026084985.db2.gz ZYPAQFWTMZKXIV-IBGZPJMESA-N 1 2 339.370 3.716 20 0 EHADLO CCc1cc2c(ncnc2N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)s1 ZINC000895192592 1026087343 /nfs/dbraw/zinc/08/73/43/1026087343.db2.gz ISNBIQBAMOXCJQ-AWEZNQCLSA-N 1 2 327.457 3.935 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccnc2)nnn1-c1ccc(F)cc1 ZINC000158526373 1026087482 /nfs/dbraw/zinc/08/74/82/1026087482.db2.gz QKOGEEWHVJAXAU-QWHCGFSZSA-N 1 2 325.391 3.522 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000451545617 1026093587 /nfs/dbraw/zinc/09/35/87/1026093587.db2.gz RJENEQRUAMZPMU-XHBSWPGZSA-N 1 2 342.842 3.553 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000451545617 1026093604 /nfs/dbraw/zinc/09/36/04/1026093604.db2.gz RJENEQRUAMZPMU-XHBSWPGZSA-N 1 2 342.842 3.553 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2cc(Cl)nc([C@@H]3CCCO3)n2)[nH+]c1C ZINC000895195962 1026094802 /nfs/dbraw/zinc/09/48/02/1026094802.db2.gz GWWRHLULBCQRRC-OLZOCXBDSA-N 1 2 347.850 3.663 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(Cl)nc([C@@H]3CCCO3)n2)[nH+]c1C ZINC000895195966 1026096471 /nfs/dbraw/zinc/09/64/71/1026096471.db2.gz GWWRHLULBCQRRC-STQMWFEESA-N 1 2 347.850 3.663 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000451545610 1026096531 /nfs/dbraw/zinc/09/65/31/1026096531.db2.gz RJENEQRUAMZPMU-BFQNTYOBSA-N 1 2 342.842 3.553 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000451545610 1026096546 /nfs/dbraw/zinc/09/65/46/1026096546.db2.gz RJENEQRUAMZPMU-BFQNTYOBSA-N 1 2 342.842 3.553 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(O)c1 ZINC000436735938 1026101767 /nfs/dbraw/zinc/10/17/67/1026101767.db2.gz FZNPGPHMCABSMI-UHFFFAOYSA-N 1 2 345.468 3.785 20 0 EHADLO Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000530639432 1026171126 /nfs/dbraw/zinc/17/11/26/1026171126.db2.gz IHNMWPMYMPFUSM-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000530639432 1026171136 /nfs/dbraw/zinc/17/11/36/1026171136.db2.gz IHNMWPMYMPFUSM-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cscc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000896980984 1026179339 /nfs/dbraw/zinc/17/93/39/1026179339.db2.gz QJSGNGSRWAAQMP-MFKMUULPSA-N 1 2 325.384 3.606 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000451688027 1026228924 /nfs/dbraw/zinc/22/89/24/1026228924.db2.gz JDKZFWRJEUTTOC-BXUZGUMPSA-N 1 2 348.796 3.792 20 0 EHADLO COCC[C@H]([NH2+]Cc1ncc(C)o1)c1cccc(C(F)(F)F)c1 ZINC000451689866 1026232673 /nfs/dbraw/zinc/23/26/73/1026232673.db2.gz KHVSURDQRQQRPC-AWEZNQCLSA-N 1 2 328.334 3.869 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530720123 1026244322 /nfs/dbraw/zinc/24/43/22/1026244322.db2.gz AMJCYSSOPXSXOY-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530720123 1026244330 /nfs/dbraw/zinc/24/43/30/1026244330.db2.gz AMJCYSSOPXSXOY-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO CC(C)c1ccoc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000342548614 1026249573 /nfs/dbraw/zinc/24/95/73/1026249573.db2.gz NTOCRWPEPAUVIV-UHFFFAOYSA-N 1 2 346.858 3.845 20 0 EHADLO CC(C)c1ccoc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000342548614 1026249583 /nfs/dbraw/zinc/24/95/83/1026249583.db2.gz NTOCRWPEPAUVIV-UHFFFAOYSA-N 1 2 346.858 3.845 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827849 1026313649 /nfs/dbraw/zinc/31/36/49/1026313649.db2.gz AMCSNMUAGZSAKJ-XLMAVXFVSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827849 1026313660 /nfs/dbraw/zinc/31/36/60/1026313660.db2.gz AMCSNMUAGZSAKJ-XLMAVXFVSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835232 1026317683 /nfs/dbraw/zinc/31/76/83/1026317683.db2.gz JUPMBKTZHURUPD-QFBILLFUSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835232 1026317695 /nfs/dbraw/zinc/31/76/95/1026317695.db2.gz JUPMBKTZHURUPD-QFBILLFUSA-N 1 2 338.451 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1F ZINC000451851076 1026322501 /nfs/dbraw/zinc/32/25/01/1026322501.db2.gz ITHOYDBPLDSWKG-QGZVFWFLSA-N 1 2 329.371 3.933 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1F ZINC000451851076 1026322511 /nfs/dbraw/zinc/32/25/11/1026322511.db2.gz ITHOYDBPLDSWKG-QGZVFWFLSA-N 1 2 329.371 3.933 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1nccs1)CCC2 ZINC000192839883 1026374815 /nfs/dbraw/zinc/37/48/15/1026374815.db2.gz UMXRDKKPTWYEGB-RYUDHWBXSA-N 1 2 334.441 3.949 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cn1 ZINC000451916084 1026377395 /nfs/dbraw/zinc/37/73/95/1026377395.db2.gz UYSIWPLBBKISGC-KBPBESRZSA-N 1 2 325.416 3.673 20 0 EHADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cnn(C)c1 ZINC000167835652 1026379973 /nfs/dbraw/zinc/37/99/73/1026379973.db2.gz PJGVFOYZXUWLAD-UHFFFAOYSA-N 1 2 331.423 3.739 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)nc1 ZINC000277634085 1026394595 /nfs/dbraw/zinc/39/45/95/1026394595.db2.gz HBIUZYLAQGRBDA-INIZCTEOSA-N 1 2 340.345 3.875 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)nc1 ZINC000277634085 1026394606 /nfs/dbraw/zinc/39/46/06/1026394606.db2.gz HBIUZYLAQGRBDA-INIZCTEOSA-N 1 2 340.345 3.875 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000451965633 1026403946 /nfs/dbraw/zinc/40/39/46/1026403946.db2.gz CZOAZLJCIZMEFG-LJQANCHMSA-N 1 2 347.455 3.745 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000451965633 1026403952 /nfs/dbraw/zinc/40/39/52/1026403952.db2.gz CZOAZLJCIZMEFG-LJQANCHMSA-N 1 2 347.455 3.745 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(OC(F)F)cc1C ZINC000582487994 1026405020 /nfs/dbraw/zinc/40/50/20/1026405020.db2.gz LUZOAKNXDYKKSI-QGZVFWFLSA-N 1 2 343.439 3.613 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(OC(F)F)cc1C ZINC000582487994 1026405024 /nfs/dbraw/zinc/40/50/24/1026405024.db2.gz LUZOAKNXDYKKSI-QGZVFWFLSA-N 1 2 343.439 3.613 20 0 EHADLO FC(F)(F)c1ccc(-c2noc(CCCn3cc[nH+]c3)n2)s1 ZINC000897165982 1026426643 /nfs/dbraw/zinc/42/66/43/1026426643.db2.gz HEIMXZYWROTIFU-UHFFFAOYSA-N 1 2 328.319 3.646 20 0 EHADLO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000452003758 1026443647 /nfs/dbraw/zinc/44/36/47/1026443647.db2.gz GMOVMHPEBWRRKF-NSHDSACASA-N 1 2 348.447 3.692 20 0 EHADLO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000452003758 1026443650 /nfs/dbraw/zinc/44/36/50/1026443650.db2.gz GMOVMHPEBWRRKF-NSHDSACASA-N 1 2 348.447 3.692 20 0 EHADLO CCC(C)(C)NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000475331848 1026485020 /nfs/dbraw/zinc/48/50/20/1026485020.db2.gz ZRLQVTAQPBEDPM-SFHVURJKSA-N 1 2 345.874 3.719 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(N4CCCC4)nc[nH+]3)CCO2)cc1 ZINC000277671550 1026514986 /nfs/dbraw/zinc/51/49/86/1026514986.db2.gz DSXWDZHEQZRYPL-IAGOWNOFSA-N 1 2 342.418 3.548 20 0 EHADLO Fc1ccc([C@H]2C[C@H](Nc3cc(N4CCCC4)[nH+]cn3)CCO2)cc1 ZINC000277671550 1026514995 /nfs/dbraw/zinc/51/49/95/1026514995.db2.gz DSXWDZHEQZRYPL-IAGOWNOFSA-N 1 2 342.418 3.548 20 0 EHADLO CCc1ccccc1N(C(C)=O)c1nc(Cn2cc[nH+]c2)cs1 ZINC000122527194 1026526746 /nfs/dbraw/zinc/52/67/46/1026526746.db2.gz AKAWHEWPZRYBJG-UHFFFAOYSA-N 1 2 326.425 3.635 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000452185699 1026552418 /nfs/dbraw/zinc/55/24/18/1026552418.db2.gz AOTMMPSNFYXVOT-GQIGUUNPSA-N 1 2 349.478 3.909 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000665628279 1026626000 /nfs/dbraw/zinc/62/60/00/1026626000.db2.gz JBAHJSKLBJPGDH-BZPMIXESSA-N 1 2 347.871 3.530 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1C(C)C ZINC000119917176 1026633277 /nfs/dbraw/zinc/63/32/77/1026633277.db2.gz BFVTWEPYHUKLED-KRWDZBQOSA-N 1 2 342.487 3.514 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000531165774 1026640399 /nfs/dbraw/zinc/64/03/99/1026640399.db2.gz RDIBNWIJQYRKHJ-AWEZNQCLSA-N 1 2 330.394 3.542 20 0 EHADLO CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716491 1026657527 /nfs/dbraw/zinc/65/75/27/1026657527.db2.gz UIIYCJNFYYYSGC-VQIMIIECSA-N 1 2 336.907 3.880 20 0 EHADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452331948 1026664467 /nfs/dbraw/zinc/66/44/67/1026664467.db2.gz LTNLIRLFWFDQOI-CQSZACIVSA-N 1 2 339.439 3.800 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000452333775 1026664857 /nfs/dbraw/zinc/66/48/57/1026664857.db2.gz KFPSSGUBBJFTPR-QWRGUYRKSA-N 1 2 333.794 3.754 20 0 EHADLO CC[N@H+](Cc1nncn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000277725821 1026705501 /nfs/dbraw/zinc/70/55/01/1026705501.db2.gz NRSDLVDKHNUUQC-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1nncn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000277725821 1026705514 /nfs/dbraw/zinc/70/55/14/1026705514.db2.gz NRSDLVDKHNUUQC-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO Fc1ccc(-c2csc(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000301196031 1026719165 /nfs/dbraw/zinc/71/91/65/1026719165.db2.gz NKKKVGPUGNEHBZ-UHFFFAOYSA-N 1 2 340.427 3.671 20 0 EHADLO CCc1nc(Cl)c(C)c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000301488696 1026823797 /nfs/dbraw/zinc/82/37/97/1026823797.db2.gz JVMVSQYCAYFJIU-UHFFFAOYSA-N 1 2 331.851 3.608 20 0 EHADLO CC(C)(C)c1nnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000301746082 1026925111 /nfs/dbraw/zinc/92/51/11/1026925111.db2.gz XTNBFGKUMVVJCP-JXMROGBWSA-N 1 2 342.512 3.671 20 0 EHADLO CNC(=O)c1cccc(CCNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1 ZINC000301806322 1026946016 /nfs/dbraw/zinc/94/60/16/1026946016.db2.gz FFXNMHYHKWXBEA-UHFFFAOYSA-N 1 2 340.471 3.738 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(F)c2)c1C ZINC000123077875 1026949316 /nfs/dbraw/zinc/94/93/16/1026949316.db2.gz KFOYUSNCRXUYPO-HNNXBMFYSA-N 1 2 346.446 3.766 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000123077875 1026949320 /nfs/dbraw/zinc/94/93/20/1026949320.db2.gz KFOYUSNCRXUYPO-HNNXBMFYSA-N 1 2 346.446 3.766 20 0 EHADLO CC(C)c1cc(NCc2ccc(-n3cncn3)cc2)nc(C(C)C)[nH+]1 ZINC000301820380 1026950704 /nfs/dbraw/zinc/95/07/04/1026950704.db2.gz LJPINZNOMKKNGW-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO Brc1csc(CNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000301827006 1026954101 /nfs/dbraw/zinc/95/41/01/1026954101.db2.gz NEUXGRPAFUDXOJ-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO Brc1csc(CNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000301827006 1026954112 /nfs/dbraw/zinc/95/41/12/1026954112.db2.gz NEUXGRPAFUDXOJ-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO CC(C)(C(=O)N1CCc2ccc(-c3ccccc3)cc2C1)c1c[nH+]c[nH]1 ZINC000452721818 1026963542 /nfs/dbraw/zinc/96/35/42/1026963542.db2.gz IESOQSRLECAZFG-UHFFFAOYSA-N 1 2 345.446 3.939 20 0 EHADLO Cc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1-n1cc[nH+]c1)CCO2 ZINC000342760456 1026971065 /nfs/dbraw/zinc/97/10/65/1026971065.db2.gz REARHGYOCSNXFY-UHFFFAOYSA-N 1 2 347.418 3.524 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1ccc(F)cc1)C1CC1 ZINC000301874548 1026974263 /nfs/dbraw/zinc/97/42/63/1026974263.db2.gz IEEOAWBNOJUHMC-UHFFFAOYSA-N 1 2 339.418 3.889 20 0 EHADLO Nc1nc(NCc2cc(Br)ccc2F)[nH+]c2ccccc12 ZINC000301883184 1026978426 /nfs/dbraw/zinc/97/84/26/1026978426.db2.gz NHEQNBGFTAUTBQ-UHFFFAOYSA-N 1 2 347.191 3.726 20 0 EHADLO CCS[C@@H]1CCCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903582 1026987463 /nfs/dbraw/zinc/98/74/63/1026987463.db2.gz XKJMAXVPLLDOFO-CYBMUJFWSA-N 1 2 333.505 3.693 20 0 EHADLO Brc1cccc2c(N3CCOC4(CCC4)C3)cc[nH+]c12 ZINC000301905746 1026989360 /nfs/dbraw/zinc/98/93/60/1026989360.db2.gz YTZFXSQSCSUQOI-UHFFFAOYSA-N 1 2 333.229 3.757 20 0 EHADLO CCc1csc([C@@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)n1 ZINC000302013053 1027023007 /nfs/dbraw/zinc/02/30/07/1027023007.db2.gz BFVJWMPASLNUGI-CQSZACIVSA-N 1 2 343.500 3.701 20 0 EHADLO CCc1csc([C@@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)n1 ZINC000302013053 1027023013 /nfs/dbraw/zinc/02/30/13/1027023013.db2.gz BFVJWMPASLNUGI-CQSZACIVSA-N 1 2 343.500 3.701 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000133518771 1027026875 /nfs/dbraw/zinc/02/68/75/1027026875.db2.gz LEIOVKCCPOGNLW-IBGZPJMESA-N 1 2 340.471 3.943 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(C(=O)N(C)c3ccccc3)c2)n1C ZINC000342784732 1027036948 /nfs/dbraw/zinc/03/69/48/1027036948.db2.gz WDQKZKKNKXMHRL-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO C[C@@H](CNc1cnc2cc(Cl)c(Cl)cc2n1)Cn1cc[nH+]c1 ZINC000302062467 1027040753 /nfs/dbraw/zinc/04/07/53/1027040753.db2.gz BWVZDNXSGFAVMG-JTQLQIEISA-N 1 2 336.226 3.881 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000302068337 1027041895 /nfs/dbraw/zinc/04/18/95/1027041895.db2.gz SYRQAHCIEMIKCK-DLBZAZTESA-N 1 2 332.492 3.863 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000302068337 1027041901 /nfs/dbraw/zinc/04/19/01/1027041901.db2.gz SYRQAHCIEMIKCK-DLBZAZTESA-N 1 2 332.492 3.863 20 0 EHADLO CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000342791501 1027092614 /nfs/dbraw/zinc/09/26/14/1027092614.db2.gz RFUAHFJNGDGTBK-LIRRHRJNSA-N 1 2 344.434 3.794 20 0 EHADLO CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000342791501 1027092630 /nfs/dbraw/zinc/09/26/30/1027092630.db2.gz RFUAHFJNGDGTBK-LIRRHRJNSA-N 1 2 344.434 3.794 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000501192016 1027125120 /nfs/dbraw/zinc/12/51/20/1027125120.db2.gz NIBUBIPVJGCXKM-QZTJIDSGSA-N 1 2 343.515 3.589 20 0 EHADLO CCN(Cc1[nH+]cc(C)n1C)Cc1cc(Br)ccc1F ZINC000342798616 1027138080 /nfs/dbraw/zinc/13/80/80/1027138080.db2.gz WHAOYXCDSQGIGM-UHFFFAOYSA-N 1 2 340.240 3.652 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075531788 1027142327 /nfs/dbraw/zinc/14/23/27/1027142327.db2.gz NICMICRFPGFLBU-QGZVFWFLSA-N 1 2 340.471 3.666 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533923 1027145223 /nfs/dbraw/zinc/14/52/23/1027145223.db2.gz UGHSJZFPYOVUIG-AWEZNQCLSA-N 1 2 329.469 3.930 20 0 EHADLO CCCn1c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)nc2ccccc21 ZINC000657550241 1027148445 /nfs/dbraw/zinc/14/84/45/1027148445.db2.gz MTCNACIROFYFQJ-UHFFFAOYSA-N 1 2 349.360 3.545 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000075719120 1027162277 /nfs/dbraw/zinc/16/22/77/1027162277.db2.gz MIRNXZFUIUBWSC-CJNGLKHVSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000075719120 1027162286 /nfs/dbraw/zinc/16/22/86/1027162286.db2.gz MIRNXZFUIUBWSC-CJNGLKHVSA-N 1 2 340.345 3.538 20 0 EHADLO COc1cccc2c(NC[C@@](C)(O)c3cc(C)oc3C)cc[nH+]c12 ZINC000302495002 1027166535 /nfs/dbraw/zinc/16/65/35/1027166535.db2.gz BBIKCMUFKMOZEA-LJQANCHMSA-N 1 2 326.396 3.773 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ncc(C4CC4)o3)C2)n1 ZINC000272904922 1027172857 /nfs/dbraw/zinc/17/28/57/1027172857.db2.gz GTVDDXYISOJFPN-LBPRGKRZSA-N 1 2 340.349 3.604 20 0 EHADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ncc(C4CC4)o3)C2)n1 ZINC000272904922 1027172862 /nfs/dbraw/zinc/17/28/62/1027172862.db2.gz GTVDDXYISOJFPN-LBPRGKRZSA-N 1 2 340.349 3.604 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000454217696 1027176412 /nfs/dbraw/zinc/17/64/12/1027176412.db2.gz AHFOGCMLSNIKJF-SHTZXODSSA-N 1 2 346.381 3.905 20 0 EHADLO C[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000272932794 1027184139 /nfs/dbraw/zinc/18/41/39/1027184139.db2.gz IPDIZFQGIJBQFU-IRXDYDNUSA-N 1 2 338.451 3.822 20 0 EHADLO Cc1nc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC000302541018 1027187804 /nfs/dbraw/zinc/18/78/04/1027187804.db2.gz NVPSMBTUTGGSQZ-MLGOLLRUSA-N 1 2 343.393 3.559 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000123381619 1027196313 /nfs/dbraw/zinc/19/63/13/1027196313.db2.gz CFYPJVSGLNCGQJ-KGLIPLIRSA-N 1 2 333.395 3.820 20 0 EHADLO C[N@@H+]1CC[C@H](Nc2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302619439 1027212487 /nfs/dbraw/zinc/21/24/87/1027212487.db2.gz GOZNLCPGPUQCBR-UONOGXRCSA-N 1 2 341.217 3.780 20 0 EHADLO C[N@H+]1CC[C@H](Nc2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302619439 1027212500 /nfs/dbraw/zinc/21/25/00/1027212500.db2.gz GOZNLCPGPUQCBR-UONOGXRCSA-N 1 2 341.217 3.780 20 0 EHADLO C[N@@H+]1CC[C@@H](Nc2ncncc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302619438 1027214438 /nfs/dbraw/zinc/21/44/38/1027214438.db2.gz GOZNLCPGPUQCBR-KGLIPLIRSA-N 1 2 341.217 3.780 20 0 EHADLO C[N@H+]1CC[C@@H](Nc2ncncc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302619438 1027214444 /nfs/dbraw/zinc/21/44/44/1027214444.db2.gz GOZNLCPGPUQCBR-KGLIPLIRSA-N 1 2 341.217 3.780 20 0 EHADLO O=C(CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000076001761 1027218565 /nfs/dbraw/zinc/21/85/65/1027218565.db2.gz WCSGSPUVXWLBEA-KRWDZBQOSA-N 1 2 339.439 3.559 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C)c3ccccc3n1)CCCO2 ZINC000531706617 1027227760 /nfs/dbraw/zinc/22/77/60/1027227760.db2.gz LPRCIDTXQUEURK-GOSISDBHSA-N 1 2 349.434 3.950 20 0 EHADLO COc1ccc2oc(C[NH2+][C@H](C)c3cn(-c4ccccc4)nn3)cc2c1 ZINC000126730323 1027234964 /nfs/dbraw/zinc/23/49/64/1027234964.db2.gz CSHOMZDWKNIPLW-CQSZACIVSA-N 1 2 348.406 3.873 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414431970 1027240736 /nfs/dbraw/zinc/24/07/36/1027240736.db2.gz LZBQMPOSDICRQM-HNNXBMFYSA-N 1 2 349.521 3.758 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414431970 1027240746 /nfs/dbraw/zinc/24/07/46/1027240746.db2.gz LZBQMPOSDICRQM-HNNXBMFYSA-N 1 2 349.521 3.758 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000531713745 1027242576 /nfs/dbraw/zinc/24/25/76/1027242576.db2.gz OGRXZUUCHRECNU-HIFRSBDPSA-N 1 2 334.261 3.673 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1 ZINC000126855268 1027248163 /nfs/dbraw/zinc/24/81/63/1027248163.db2.gz FYJPWJSXFQKGJF-GDBMZVCRSA-N 1 2 344.459 3.708 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n1 ZINC000126855268 1027248175 /nfs/dbraw/zinc/24/81/75/1027248175.db2.gz FYJPWJSXFQKGJF-GDBMZVCRSA-N 1 2 344.459 3.708 20 0 EHADLO COc1cccc(Cl)c1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000302705566 1027249104 /nfs/dbraw/zinc/24/91/04/1027249104.db2.gz JGHZTNQZIZFBGJ-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO COc1cccc(Cl)c1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000302705566 1027249121 /nfs/dbraw/zinc/24/91/21/1027249121.db2.gz JGHZTNQZIZFBGJ-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416109 1027255030 /nfs/dbraw/zinc/25/50/30/1027255030.db2.gz GWFBFLDADNACSK-MEBBXXQBSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000501416109 1027255050 /nfs/dbraw/zinc/25/50/50/1027255050.db2.gz GWFBFLDADNACSK-MEBBXXQBSA-N 1 2 333.234 3.605 20 0 EHADLO FC(F)(F)Cc1nnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000273195280 1027305712 /nfs/dbraw/zinc/30/57/12/1027305712.db2.gz OXYADTPLEZFQPN-CYBMUJFWSA-N 1 2 325.334 3.902 20 0 EHADLO FC(F)(F)Cc1nnc([C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000273195280 1027305734 /nfs/dbraw/zinc/30/57/34/1027305734.db2.gz OXYADTPLEZFQPN-CYBMUJFWSA-N 1 2 325.334 3.902 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccco1 ZINC000273235748 1027327950 /nfs/dbraw/zinc/32/79/50/1027327950.db2.gz GRGLEILJKPAEKH-INIZCTEOSA-N 1 2 347.365 3.611 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)c2ncnn21 ZINC000657568694 1027328783 /nfs/dbraw/zinc/32/87/83/1027328783.db2.gz JAOFYRQBUBNHGA-NOZJJQNGSA-N 1 2 347.216 3.582 20 0 EHADLO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)ccc1OCC(C)C ZINC000657568690 1027329383 /nfs/dbraw/zinc/32/93/83/1027329383.db2.gz KUFOMCJMZXTICR-GDBMZVCRSA-N 1 2 344.459 3.507 20 0 EHADLO Clc1ccc([C@H]2CN(c3nccn4c[nH+]cc34)CCO2)cc1Cl ZINC000892295303 1027333673 /nfs/dbraw/zinc/33/36/73/1027333673.db2.gz JMFCDKJUBBVECM-OAHLLOKOSA-N 1 2 349.221 3.614 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)nc[nH+]1)CCC2 ZINC000302867818 1027333922 /nfs/dbraw/zinc/33/39/22/1027333922.db2.gz ZPPHUGZVLKEKNB-MRXNPFEDSA-N 1 2 344.459 3.658 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC000302867818 1027333939 /nfs/dbraw/zinc/33/39/39/1027333939.db2.gz ZPPHUGZVLKEKNB-MRXNPFEDSA-N 1 2 344.459 3.658 20 0 EHADLO Cc1cc(Br)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302920055 1027361316 /nfs/dbraw/zinc/36/13/16/1027361316.db2.gz YXJOAAGNYNUTIK-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO Cc1cc(Br)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302920055 1027361336 /nfs/dbraw/zinc/36/13/36/1027361336.db2.gz YXJOAAGNYNUTIK-UHFFFAOYSA-N 1 2 347.260 3.760 20 0 EHADLO O=C(Nc1ccc(F)cc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045957404 1027373393 /nfs/dbraw/zinc/37/33/93/1027373393.db2.gz KPKPBTOYUIURFN-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103306655 1027418447 /nfs/dbraw/zinc/41/84/47/1027418447.db2.gz KPKJTRVXCIOHFD-QZTJIDSGSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(Oc3ccccc3)nn2)on1 ZINC000536570305 1027431130 /nfs/dbraw/zinc/43/11/30/1027431130.db2.gz QLFUZMCKIJLENU-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(Oc3ccccc3)nn2)on1 ZINC000536570305 1027431143 /nfs/dbraw/zinc/43/11/43/1027431143.db2.gz QLFUZMCKIJLENU-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000273539658 1027483143 /nfs/dbraw/zinc/48/31/43/1027483143.db2.gz DULWQSIPDILJRA-VXGBXAGGSA-N 1 2 346.500 3.822 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000303217356 1027500669 /nfs/dbraw/zinc/50/06/69/1027500669.db2.gz TXBYQODMDLMLLK-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000303217356 1027500696 /nfs/dbraw/zinc/50/06/96/1027500696.db2.gz TXBYQODMDLMLLK-LJQANCHMSA-N 1 2 334.423 3.613 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)s1 ZINC000273599909 1027514186 /nfs/dbraw/zinc/51/41/86/1027514186.db2.gz LSRBKBXJQVJQTM-CYBMUJFWSA-N 1 2 340.452 3.671 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)c2cccs2)c2nccn2C)cc1 ZINC000129085731 1027518517 /nfs/dbraw/zinc/51/85/17/1027518517.db2.gz IZJOYZJVUXBBTN-DYVFJYSZSA-N 1 2 327.453 3.930 20 0 EHADLO CC(C)CC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000664252045 1027528011 /nfs/dbraw/zinc/52/80/11/1027528011.db2.gz GIWIWXLXUKDWMD-QGZVFWFLSA-N 1 2 340.471 3.582 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3c(OC)cccc3OC)sc2c1 ZINC000657587194 1027536870 /nfs/dbraw/zinc/53/68/70/1027536870.db2.gz SVYFGRSINGFGRX-UHFFFAOYSA-N 1 2 344.436 3.612 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)cc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000342835864 1027545612 /nfs/dbraw/zinc/54/56/12/1027545612.db2.gz YOKSEJFRIMHIIF-UHFFFAOYSA-N 1 2 339.418 3.576 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1cscn1 ZINC000657599734 1027579234 /nfs/dbraw/zinc/57/92/34/1027579234.db2.gz SDRGPNGQGRVHPV-LBPRGKRZSA-N 1 2 332.860 3.892 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047648488 1027601697 /nfs/dbraw/zinc/60/16/97/1027601697.db2.gz YJHUGEPFXXVSLS-INIZCTEOSA-N 1 2 328.460 3.555 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(C)cc1)CCC2 ZINC000152457218 1027615127 /nfs/dbraw/zinc/61/51/27/1027615127.db2.gz NHVVRFPEKUKSDG-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(C)cc1)CCC2 ZINC000152457218 1027615134 /nfs/dbraw/zinc/61/51/34/1027615134.db2.gz NHVVRFPEKUKSDG-MRXNPFEDSA-N 1 2 343.496 3.962 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1F)c1cccc(OC)c1 ZINC000657612450 1027624029 /nfs/dbraw/zinc/62/40/29/1027624029.db2.gz LXRJLGRUVACFLV-HNNXBMFYSA-N 1 2 325.330 3.590 20 0 EHADLO CSc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000130085067 1027630248 /nfs/dbraw/zinc/63/02/48/1027630248.db2.gz VFDGGGVHZYYPCO-AWEZNQCLSA-N 1 2 346.521 3.989 20 0 EHADLO CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H](C)Cc1ccsc1 ZINC000422200077 1027634046 /nfs/dbraw/zinc/63/40/46/1027634046.db2.gz FHCHFLZEHGJBET-OAHLLOKOSA-N 1 2 331.485 3.923 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000422210581 1027640666 /nfs/dbraw/zinc/64/06/66/1027640666.db2.gz PENJWOAVYQANCC-CABCVRRESA-N 1 2 343.393 3.961 20 0 EHADLO Cc1cc(CNC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc(C)[nH+]1 ZINC000422217673 1027653250 /nfs/dbraw/zinc/65/32/50/1027653250.db2.gz XAKRBGJXYSUGIX-GUTXKFCHSA-N 1 2 343.393 3.959 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000078329994 1027664082 /nfs/dbraw/zinc/66/40/82/1027664082.db2.gz ZVMQXNMJUPNRSG-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CC(C)c1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000130387186 1027665332 /nfs/dbraw/zinc/66/53/32/1027665332.db2.gz GZOUOOBRSQGONY-UHFFFAOYSA-N 1 2 344.415 3.521 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(C(=O)N(C)C3CCCCC3)cc2)n1C ZINC000342855118 1027665704 /nfs/dbraw/zinc/66/57/04/1027665704.db2.gz VJCWXAIQPBMFNO-UHFFFAOYSA-N 1 2 340.471 3.745 20 0 EHADLO Cn1nc(Br)cc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000785412195 1027683931 /nfs/dbraw/zinc/68/39/31/1027683931.db2.gz CKGLENJJLWPAIY-INIZCTEOSA-N 1 2 346.228 3.655 20 0 EHADLO Cc1cc(CNC(=O)NCCCO[C@H](C)c2ccccc2)cc(C)[nH+]1 ZINC000420756591 1027713893 /nfs/dbraw/zinc/71/38/93/1027713893.db2.gz FIKSLCMGLJYNFF-QGZVFWFLSA-N 1 2 341.455 3.666 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)n2)c(C)c1 ZINC000582794264 1027728237 /nfs/dbraw/zinc/72/82/37/1027728237.db2.gz HMQSZHXLGCKFBF-ZDUSSCGKSA-N 1 2 340.452 3.967 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)n2)c(C)c1 ZINC000582794264 1027728243 /nfs/dbraw/zinc/72/82/43/1027728243.db2.gz HMQSZHXLGCKFBF-ZDUSSCGKSA-N 1 2 340.452 3.967 20 0 EHADLO CC(C)c1ncc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)s1 ZINC000342866770 1027736426 /nfs/dbraw/zinc/73/64/26/1027736426.db2.gz YWDLCGDWSJRXPJ-KRWDZBQOSA-N 1 2 329.513 3.625 20 0 EHADLO CC(C)c1ncc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)s1 ZINC000342866770 1027736442 /nfs/dbraw/zinc/73/64/42/1027736442.db2.gz YWDLCGDWSJRXPJ-KRWDZBQOSA-N 1 2 329.513 3.625 20 0 EHADLO c1cc(-c2nc(C[NH2+]C3(c4ccccc4)CCOCC3)no2)cs1 ZINC000533382041 1027747244 /nfs/dbraw/zinc/74/72/44/1027747244.db2.gz VXMCTPXZVDVHME-UHFFFAOYSA-N 1 2 341.436 3.594 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)n1 ZINC000065957235 1027747754 /nfs/dbraw/zinc/74/77/54/1027747754.db2.gz GPVPMUMNJXHABP-OAHLLOKOSA-N 1 2 328.460 3.855 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)cn1 ZINC000119697731 1027771603 /nfs/dbraw/zinc/77/16/03/1027771603.db2.gz UBQGHLSYTNUDOF-UHFFFAOYSA-N 1 2 337.471 3.535 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)cn1 ZINC000119697731 1027771618 /nfs/dbraw/zinc/77/16/18/1027771618.db2.gz UBQGHLSYTNUDOF-UHFFFAOYSA-N 1 2 337.471 3.535 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420849282 1027790972 /nfs/dbraw/zinc/79/09/72/1027790972.db2.gz NOBYCMAWXDCUJL-IBGZPJMESA-N 1 2 341.455 4.000 20 0 EHADLO Cc1ccc2c(CCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC000342873520 1027791119 /nfs/dbraw/zinc/79/11/19/1027791119.db2.gz VLGXVSYBCFWBIG-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc(C)[nH+]1 ZINC000420848950 1027793356 /nfs/dbraw/zinc/79/33/56/1027793356.db2.gz MXFFMBLZZZEUEE-AWEZNQCLSA-N 1 2 343.393 3.818 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000420854892 1027798239 /nfs/dbraw/zinc/79/82/39/1027798239.db2.gz VLPYLAHCAGRQLS-CABCVRRESA-N 1 2 343.393 3.866 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)n1 ZINC000459348879 1027824436 /nfs/dbraw/zinc/82/44/36/1027824436.db2.gz XGORGIOMFYMFPP-PBHICJAKSA-N 1 2 343.427 3.528 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)n1 ZINC000459348879 1027824458 /nfs/dbraw/zinc/82/44/58/1027824458.db2.gz XGORGIOMFYMFPP-PBHICJAKSA-N 1 2 343.427 3.528 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)n1 ZINC000459348882 1027825336 /nfs/dbraw/zinc/82/53/36/1027825336.db2.gz XGORGIOMFYMFPP-RHSMWYFYSA-N 1 2 343.427 3.528 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)n1 ZINC000459348882 1027825348 /nfs/dbraw/zinc/82/53/48/1027825348.db2.gz XGORGIOMFYMFPP-RHSMWYFYSA-N 1 2 343.427 3.528 20 0 EHADLO Cc1ccc(Nc2nc(C[N@H+](C)CCn3cccn3)cs2)cc1 ZINC000533439381 1027844750 /nfs/dbraw/zinc/84/47/50/1027844750.db2.gz NFGZADVDMRZUHX-UHFFFAOYSA-N 1 2 327.457 3.524 20 0 EHADLO Cc1ccc(Nc2nc(C[N@@H+](C)CCn3cccn3)cs2)cc1 ZINC000533439381 1027844770 /nfs/dbraw/zinc/84/47/70/1027844770.db2.gz NFGZADVDMRZUHX-UHFFFAOYSA-N 1 2 327.457 3.524 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1C ZINC000246163762 1027855435 /nfs/dbraw/zinc/85/54/35/1027855435.db2.gz UTSQYRGERHTRCZ-TZMCWYRMSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](c3cccs3)C2)cc1C ZINC000246163762 1027855463 /nfs/dbraw/zinc/85/54/63/1027855463.db2.gz UTSQYRGERHTRCZ-TZMCWYRMSA-N 1 2 335.425 3.571 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000420945239 1027904939 /nfs/dbraw/zinc/90/49/39/1027904939.db2.gz YWLGFPQIVTYDGT-LLVKDONJSA-N 1 2 348.809 3.733 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000420945239 1027904955 /nfs/dbraw/zinc/90/49/55/1027904955.db2.gz YWLGFPQIVTYDGT-LLVKDONJSA-N 1 2 348.809 3.733 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)nnc1-c1ccccc1 ZINC000420948400 1027908463 /nfs/dbraw/zinc/90/84/63/1027908463.db2.gz NVODCENQFJQFCI-CYBMUJFWSA-N 1 2 338.377 3.647 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)nnc1-c1ccccc1 ZINC000420948400 1027908480 /nfs/dbraw/zinc/90/84/80/1027908480.db2.gz NVODCENQFJQFCI-CYBMUJFWSA-N 1 2 338.377 3.647 20 0 EHADLO CC[C@@H]1C[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)C[C@@H](CC)O1 ZINC000420964940 1027937067 /nfs/dbraw/zinc/93/70/67/1027937067.db2.gz XOYHWEYQTZNODS-ARFHVFGLSA-N 1 2 329.444 3.995 20 0 EHADLO CCn1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000414485698 1027941581 /nfs/dbraw/zinc/94/15/81/1027941581.db2.gz RRJOGHBSBCYZID-UHFFFAOYSA-N 1 2 349.482 3.731 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(C)cc1 ZINC000523142805 1027942121 /nfs/dbraw/zinc/94/21/21/1027942121.db2.gz MGQWOWPCGDLYSB-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(C)cc1 ZINC000523142805 1027942138 /nfs/dbraw/zinc/94/21/38/1027942138.db2.gz MGQWOWPCGDLYSB-HNNXBMFYSA-N 1 2 335.394 3.535 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000132678571 1027952583 /nfs/dbraw/zinc/95/25/83/1027952583.db2.gz UWBSRVLHHHXASE-DLBZAZTESA-N 1 2 331.504 3.808 20 0 EHADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ncc(-c2ccccc2)o1 ZINC000078538456 1027952951 /nfs/dbraw/zinc/95/29/51/1027952951.db2.gz JVWYNLCXMCMQLB-CQSZACIVSA-N 1 2 348.406 3.532 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000420980328 1027958952 /nfs/dbraw/zinc/95/89/52/1027958952.db2.gz WLXYSFIGNQHASC-SFHVURJKSA-N 1 2 347.890 3.847 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C2(CCC2)C1 ZINC000420990297 1027960840 /nfs/dbraw/zinc/96/08/40/1027960840.db2.gz FFYBSFPEKOPLRD-GFCCVEGCSA-N 1 2 344.680 3.982 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C2(CCC2)C1 ZINC000420990297 1027960857 /nfs/dbraw/zinc/96/08/57/1027960857.db2.gz FFYBSFPEKOPLRD-GFCCVEGCSA-N 1 2 344.680 3.982 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@@H+]2Cc2ncccn2)c1 ZINC000421028435 1027988943 /nfs/dbraw/zinc/98/89/43/1027988943.db2.gz AAXDBWNOFJNDCL-INIZCTEOSA-N 1 2 346.272 3.836 20 0 EHADLO Brc1cccc(C[C@@H]2CCCC[N@H+]2Cc2ncccn2)c1 ZINC000421028435 1027988954 /nfs/dbraw/zinc/98/89/54/1027988954.db2.gz AAXDBWNOFJNDCL-INIZCTEOSA-N 1 2 346.272 3.836 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000133034049 1027991874 /nfs/dbraw/zinc/99/18/74/1027991874.db2.gz PWXKMZQVOJQGRA-RDJZCZTQSA-N 1 2 339.345 3.893 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000120367005 1028008383 /nfs/dbraw/zinc/00/83/83/1028008383.db2.gz LWGUJOVSHJNOPW-UHFFFAOYSA-N 1 2 336.439 3.551 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nncn2-c2ccccc2)cc1 ZINC000444589512 1028049846 /nfs/dbraw/zinc/04/98/46/1028049846.db2.gz BIZHGHIROZZLIT-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nncn2-c2ccccc2)cc1 ZINC000444589512 1028049867 /nfs/dbraw/zinc/04/98/67/1028049867.db2.gz BIZHGHIROZZLIT-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO CC(C)CC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000342910924 1028071370 /nfs/dbraw/zinc/07/13/70/1028071370.db2.gz KXKCBDREHPDIEA-QGZVFWFLSA-N 1 2 325.456 3.874 20 0 EHADLO Cc1cc(C)c(C[N@@H+]2CCOC[C@@H]2CC(=O)c2ccco2)c(C)c1 ZINC000444660159 1028122957 /nfs/dbraw/zinc/12/29/57/1028122957.db2.gz RQULVVBOQKBLIW-KRWDZBQOSA-N 1 2 327.424 3.679 20 0 EHADLO Cc1cc(C)c(C[N@H+]2CCOC[C@@H]2CC(=O)c2ccco2)c(C)c1 ZINC000444660159 1028122969 /nfs/dbraw/zinc/12/29/69/1028122969.db2.gz RQULVVBOQKBLIW-KRWDZBQOSA-N 1 2 327.424 3.679 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000582874607 1028129818 /nfs/dbraw/zinc/12/98/18/1028129818.db2.gz SYCQIDTVKFDHOR-SFHVURJKSA-N 1 2 330.428 3.955 20 0 EHADLO CCCc1noc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000052823810 1028131976 /nfs/dbraw/zinc/13/19/76/1028131976.db2.gz BFZBKZFBXMEKOE-UHFFFAOYSA-N 1 2 340.402 3.932 20 0 EHADLO CCCc1noc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000052823810 1028131983 /nfs/dbraw/zinc/13/19/83/1028131983.db2.gz BFZBKZFBXMEKOE-UHFFFAOYSA-N 1 2 340.402 3.932 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423044198 1028148649 /nfs/dbraw/zinc/14/86/49/1028148649.db2.gz BCEDMWWEDFJROH-APPDUMDISA-N 1 2 334.366 3.781 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nncn1-c1ccccc1 ZINC000444682065 1028150566 /nfs/dbraw/zinc/15/05/66/1028150566.db2.gz YJWHDQHCNQIYQJ-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nncn1-c1ccccc1 ZINC000444682065 1028150581 /nfs/dbraw/zinc/15/05/81/1028150581.db2.gz YJWHDQHCNQIYQJ-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689893 1028160344 /nfs/dbraw/zinc/16/03/44/1028160344.db2.gz HXSWOSUGVMWURX-HNNXBMFYSA-N 1 2 346.421 3.834 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444689893 1028160348 /nfs/dbraw/zinc/16/03/48/1028160348.db2.gz HXSWOSUGVMWURX-HNNXBMFYSA-N 1 2 346.421 3.834 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423103680 1028198501 /nfs/dbraw/zinc/19/85/01/1028198501.db2.gz XUNASHPYXJBZRF-SCLBCKFNSA-N 1 2 346.421 3.837 20 0 EHADLO COc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1OC ZINC000455469186 1028201231 /nfs/dbraw/zinc/20/12/31/1028201231.db2.gz HGDXHCDNGRECRL-UHFFFAOYSA-N 1 2 345.399 3.677 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c(C)[nH+]1 ZINC000455472952 1028206141 /nfs/dbraw/zinc/20/61/41/1028206141.db2.gz BTXWIGWDZNTXNK-YJBOKZPZSA-N 1 2 341.455 3.683 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)c(C)[nH+]1 ZINC000455475014 1028208906 /nfs/dbraw/zinc/20/89/06/1028208906.db2.gz DIXYSOMBWHCLCI-DOTOQJQBSA-N 1 2 333.476 3.970 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000135642879 1028211360 /nfs/dbraw/zinc/21/13/60/1028211360.db2.gz QUJQOJNJIFZSNN-CQSZACIVSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000135642879 1028211378 /nfs/dbraw/zinc/21/13/78/1028211378.db2.gz QUJQOJNJIFZSNN-CQSZACIVSA-N 1 2 328.441 3.646 20 0 EHADLO [NH3+][C@@H](C(=O)NCC1(c2ccccc2)CCCCCC1)c1cscn1 ZINC000423133912 1028222233 /nfs/dbraw/zinc/22/22/33/1028222233.db2.gz LLKGTCLYSWGPQN-QGZVFWFLSA-N 1 2 343.496 3.551 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000054341229 1028228503 /nfs/dbraw/zinc/22/85/03/1028228503.db2.gz HEDHZTPYVLSVRZ-OAHLLOKOSA-N 1 2 335.444 3.683 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000054341229 1028228522 /nfs/dbraw/zinc/22/85/22/1028228522.db2.gz HEDHZTPYVLSVRZ-OAHLLOKOSA-N 1 2 335.444 3.683 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1nc3ccccc3s1)C2 ZINC000054390435 1028231884 /nfs/dbraw/zinc/23/18/84/1028231884.db2.gz OSOGYHRVTPASBI-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000054390435 1028231897 /nfs/dbraw/zinc/23/18/97/1028231897.db2.gz OSOGYHRVTPASBI-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CCc1ccc([C@@H](NC(=O)NCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000054973609 1028254361 /nfs/dbraw/zinc/25/43/61/1028254361.db2.gz PNDJRZQDPABSAJ-SFHVURJKSA-N 1 2 328.460 3.532 20 0 EHADLO Cc1ccc(OCCN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455488886 1028257059 /nfs/dbraw/zinc/25/70/59/1028257059.db2.gz UZXSUULWDQFRAA-UHFFFAOYSA-N 1 2 327.428 3.858 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000136613049 1028260954 /nfs/dbraw/zinc/26/09/54/1028260954.db2.gz XEMMNHZXESQUGQ-OAHLLOKOSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000136613049 1028260973 /nfs/dbraw/zinc/26/09/73/1028260973.db2.gz XEMMNHZXESQUGQ-OAHLLOKOSA-N 1 2 344.484 3.746 20 0 EHADLO CC[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(C)cc1 ZINC000523408783 1028275865 /nfs/dbraw/zinc/27/58/65/1028275865.db2.gz OXYWQAYDDBHVEP-CQSZACIVSA-N 1 2 343.496 3.962 20 0 EHADLO CC[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(C)cc1 ZINC000523408783 1028275896 /nfs/dbraw/zinc/27/58/96/1028275896.db2.gz OXYWQAYDDBHVEP-CQSZACIVSA-N 1 2 343.496 3.962 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423215075 1028281710 /nfs/dbraw/zinc/28/17/10/1028281710.db2.gz QDGMYVKIHPUGJK-BVRBVLIYSA-N 1 2 348.368 3.508 20 0 EHADLO CC(C)CCn1cccc1C[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414512371 1028291729 /nfs/dbraw/zinc/29/17/29/1028291729.db2.gz ZTVSGFNTTTZMMS-UHFFFAOYSA-N 1 2 326.366 3.633 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](CO)c2ccccc2Cl)c(C)[nH+]1 ZINC000455523371 1028296801 /nfs/dbraw/zinc/29/68/01/1028296801.db2.gz ODKCFIRUWMKOLF-CQSZACIVSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000195616843 1028304616 /nfs/dbraw/zinc/30/46/16/1028304616.db2.gz YOVCMSGBFKIFEE-UHFFFAOYSA-N 1 2 327.211 3.965 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000195616843 1028304634 /nfs/dbraw/zinc/30/46/34/1028304634.db2.gz YOVCMSGBFKIFEE-UHFFFAOYSA-N 1 2 327.211 3.965 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)nn1C ZINC000421378632 1028337080 /nfs/dbraw/zinc/33/70/80/1028337080.db2.gz HPZCPWJJJBTQKZ-SFHVURJKSA-N 1 2 347.890 3.766 20 0 EHADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1Oc1ccccc1 ZINC000548780043 1028339290 /nfs/dbraw/zinc/33/92/90/1028339290.db2.gz OFIWWUAUWKMCQS-OAHLLOKOSA-N 1 2 335.407 3.632 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894535 1028345082 /nfs/dbraw/zinc/34/50/82/1028345082.db2.gz NSVKRVQVRPMDQU-MRXNPFEDSA-N 1 2 334.423 3.775 20 0 EHADLO O=C(NCc1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862338 1028345654 /nfs/dbraw/zinc/34/56/54/1028345654.db2.gz UDTAVYUUIOUVOS-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342955724 1028368170 /nfs/dbraw/zinc/36/81/70/1028368170.db2.gz YKQRZBCFZMNKKF-LBPRGKRZSA-N 1 2 331.847 3.629 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000582974234 1028417084 /nfs/dbraw/zinc/41/70/84/1028417084.db2.gz WDLXODVBKZKTSH-INIZCTEOSA-N 1 2 343.471 3.782 20 0 EHADLO CCCCCOc1cc(C)ccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000582974234 1028417091 /nfs/dbraw/zinc/41/70/91/1028417091.db2.gz WDLXODVBKZKTSH-INIZCTEOSA-N 1 2 343.471 3.782 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000079025982 1028420301 /nfs/dbraw/zinc/42/03/01/1028420301.db2.gz MRMIMOWRLXZVAG-LPHOPBHVSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1F ZINC000069193973 1028425062 /nfs/dbraw/zinc/42/50/62/1028425062.db2.gz FVTYMEWIMHDNAW-UONOGXRCSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1F ZINC000069193973 1028425071 /nfs/dbraw/zinc/42/50/71/1028425071.db2.gz FVTYMEWIMHDNAW-UONOGXRCSA-N 1 2 332.394 3.663 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2cc(Cl)ccc2F)c[nH+]1 ZINC000455553637 1028431797 /nfs/dbraw/zinc/43/17/97/1028431797.db2.gz CYVAZBAYYHJNSV-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cnc(-c3ccc(C)cc3)s1)C2 ZINC000897334152 1028462536 /nfs/dbraw/zinc/46/25/36/1028462536.db2.gz LOEVDJWXBFICKG-UHFFFAOYSA-N 1 2 338.480 3.893 20 0 EHADLO COC[C@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(Cl)cc1 ZINC000194075825 1028486557 /nfs/dbraw/zinc/48/65/57/1028486557.db2.gz DGTISUBQCDWCNV-CVEARBPZSA-N 1 2 348.878 3.867 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Cl)c(F)cc1Cl ZINC000342979216 1028489400 /nfs/dbraw/zinc/48/94/00/1028489400.db2.gz PLKRRPIDHKNYDG-UHFFFAOYSA-N 1 2 338.169 3.710 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccncc1Cl ZINC000073059075 1028539190 /nfs/dbraw/zinc/53/91/90/1028539190.db2.gz NXKUFFMUPFFHRT-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1F ZINC000153666795 1028546721 /nfs/dbraw/zinc/54/67/21/1028546721.db2.gz UVHSCNOVHLLDLN-PXAZEXFGSA-N 1 2 347.409 3.627 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421568667 1028561168 /nfs/dbraw/zinc/56/11/68/1028561168.db2.gz IEZGALYKVKWXIF-MGPQQGTHSA-N 1 2 329.831 3.578 20 0 EHADLO Clc1ccc(SCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000194966182 1028564495 /nfs/dbraw/zinc/56/44/95/1028564495.db2.gz UROKANWPDYFOSP-INIZCTEOSA-N 1 2 344.871 3.929 20 0 EHADLO Clc1ccc(SCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000194966202 1028565143 /nfs/dbraw/zinc/56/51/43/1028565143.db2.gz UROKANWPDYFOSP-MRXNPFEDSA-N 1 2 344.871 3.929 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576825 1028570086 /nfs/dbraw/zinc/57/00/86/1028570086.db2.gz NPFSVFIETMLDTM-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000421578400 1028572687 /nfs/dbraw/zinc/57/26/87/1028572687.db2.gz QYZZKESUGXYNHW-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO Cc1cccc(OCCCCC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421578421 1028572872 /nfs/dbraw/zinc/57/28/72/1028572872.db2.gz RAMPKACUCUUCSY-UHFFFAOYSA-N 1 2 326.440 3.872 20 0 EHADLO COc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)c(OCC(C)C)c1 ZINC000421580437 1028574697 /nfs/dbraw/zinc/57/46/97/1028574697.db2.gz WLXYJUNHLIOWGH-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO Cc1noc(C[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000122176818 1028576976 /nfs/dbraw/zinc/57/69/76/1028576976.db2.gz YHNIMQNPPGASJD-LLVKDONJSA-N 1 2 328.441 3.969 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCCc3occc32)c1C ZINC000195142362 1028588061 /nfs/dbraw/zinc/58/80/61/1028588061.db2.gz MQUUNJHNYKUFKT-OAHLLOKOSA-N 1 2 343.427 3.519 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074041261 1028594063 /nfs/dbraw/zinc/59/40/63/1028594063.db2.gz AJJDSHZRGKMUAV-UHFFFAOYSA-N 1 2 337.398 3.982 20 0 EHADLO CC1(C)C[C@@H](NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c2ccccc21 ZINC000423751998 1028597890 /nfs/dbraw/zinc/59/78/90/1028597890.db2.gz AMOGPVJQSFNATN-WBVHZDCISA-N 1 2 330.378 3.503 20 0 EHADLO CCc1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000523790568 1028607070 /nfs/dbraw/zinc/60/70/70/1028607070.db2.gz QCAUQQXEPKZIEP-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1cccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000523790568 1028607078 /nfs/dbraw/zinc/60/70/78/1028607078.db2.gz QCAUQQXEPKZIEP-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)c1cccs1 ZINC000523791545 1028627522 /nfs/dbraw/zinc/62/75/22/1028627522.db2.gz FLUVXHCNBSDZSF-GDBMZVCRSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)c1cccs1 ZINC000523791545 1028627527 /nfs/dbraw/zinc/62/75/27/1028627527.db2.gz FLUVXHCNBSDZSF-GDBMZVCRSA-N 1 2 346.521 3.715 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2[nH+]c3ccccc3n2C)c1 ZINC001211971925 1028647731 /nfs/dbraw/zinc/64/77/31/1028647731.db2.gz PYOGVHOFEVMJIY-UHFFFAOYSA-N 1 2 325.368 3.502 20 0 EHADLO Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H]([NH3+])c3c(F)cccc3F)C2)c1 ZINC000423871709 1028661483 /nfs/dbraw/zinc/66/14/83/1028661483.db2.gz HCGCWVQGEORWAG-LIRRHRJNSA-N 1 2 344.405 3.598 20 0 EHADLO C[C@@H]1C[N@H+](Cc2noc(C3CCOCC3)n2)CC[C@H]1c1ccccc1 ZINC000246592400 1028668608 /nfs/dbraw/zinc/66/86/08/1028668608.db2.gz FXGKTAVNIBLMQW-CRAIPNDOSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2noc(C3CCOCC3)n2)CC[C@H]1c1ccccc1 ZINC000246592400 1028668624 /nfs/dbraw/zinc/66/86/24/1028668624.db2.gz FXGKTAVNIBLMQW-CRAIPNDOSA-N 1 2 341.455 3.589 20 0 EHADLO CCOc1ccc(-c2nc(CSCCn3cc[nH+]c3)co2)cc1 ZINC000122641682 1028698207 /nfs/dbraw/zinc/69/82/07/1028698207.db2.gz HWUYDFMKAUSOKV-UHFFFAOYSA-N 1 2 329.425 3.870 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246886507 1028708363 /nfs/dbraw/zinc/70/83/63/1028708363.db2.gz LXYMTJLQEQVDSR-CVEARBPZSA-N 1 2 338.542 3.897 20 0 EHADLO c1sc(C2CCCCC2)nc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246886507 1028708372 /nfs/dbraw/zinc/70/83/72/1028708372.db2.gz LXYMTJLQEQVDSR-CVEARBPZSA-N 1 2 338.542 3.897 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1Cl ZINC000278055640 1028710170 /nfs/dbraw/zinc/71/01/70/1028710170.db2.gz MDLMJYSKLHVXLD-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1Cl ZINC000278055640 1028710187 /nfs/dbraw/zinc/71/01/87/1028710187.db2.gz MDLMJYSKLHVXLD-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000245492917 1028737357 /nfs/dbraw/zinc/73/73/57/1028737357.db2.gz KLPAOJXAOVOYKB-PBHICJAKSA-N 1 2 329.444 3.923 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000245492917 1028737361 /nfs/dbraw/zinc/73/73/61/1028737361.db2.gz KLPAOJXAOVOYKB-PBHICJAKSA-N 1 2 329.444 3.923 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245525940 1028768696 /nfs/dbraw/zinc/76/86/96/1028768696.db2.gz BPVJWORXDFVJBX-HUUCEWRRSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245525940 1028768708 /nfs/dbraw/zinc/76/87/08/1028768708.db2.gz BPVJWORXDFVJBX-HUUCEWRRSA-N 1 2 345.874 3.947 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535947 1028776932 /nfs/dbraw/zinc/77/69/32/1028776932.db2.gz LARAAINKRAEBIN-VQIMIIECSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccccc1 ZINC000245535947 1028776944 /nfs/dbraw/zinc/77/69/44/1028776944.db2.gz LARAAINKRAEBIN-VQIMIIECSA-N 1 2 325.456 3.732 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@H](C)c1cccnc1)[C@H](C)c1ccc(F)cc1 ZINC000245542389 1028790573 /nfs/dbraw/zinc/79/05/73/1028790573.db2.gz RJBYPMOKNLVNIE-HZPDHXFCSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@H](C)c1cccnc1)[C@H](C)c1ccc(F)cc1 ZINC000245542389 1028790588 /nfs/dbraw/zinc/79/05/88/1028790588.db2.gz RJBYPMOKNLVNIE-HZPDHXFCSA-N 1 2 343.446 3.823 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245544430 1028797716 /nfs/dbraw/zinc/79/77/16/1028797716.db2.gz ULEKQHKCJCYYAA-KDOFPFPSSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000245544430 1028797723 /nfs/dbraw/zinc/79/77/23/1028797723.db2.gz ULEKQHKCJCYYAA-KDOFPFPSSA-N 1 2 345.874 3.995 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000123066274 1028805225 /nfs/dbraw/zinc/80/52/25/1028805225.db2.gz UQWNETNANKWDOT-UHFFFAOYSA-N 1 2 344.459 3.862 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247672835 1028810953 /nfs/dbraw/zinc/81/09/53/1028810953.db2.gz RBAHTOSXJMLZFN-NEWSRXKRSA-N 1 2 325.456 3.877 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000502902675 1028832707 /nfs/dbraw/zinc/83/27/07/1028832707.db2.gz JSUBASRXRVZIBG-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000502902675 1028832721 /nfs/dbraw/zinc/83/27/21/1028832721.db2.gz JSUBASRXRVZIBG-MRXNPFEDSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000424153565 1028839114 /nfs/dbraw/zinc/83/91/14/1028839114.db2.gz KHCWHIZORBYIMO-KRWDZBQOSA-N 1 2 329.444 3.942 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000445488991 1028851617 /nfs/dbraw/zinc/85/16/17/1028851617.db2.gz XLZBTJUEGQGLED-HSZRJFAPSA-N 1 2 332.375 3.517 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000343056707 1028859760 /nfs/dbraw/zinc/85/97/60/1028859760.db2.gz ZCQNUFYKDBUJBL-AWEZNQCLSA-N 1 2 347.409 3.627 20 0 EHADLO Cc1cc(N2CCSCC2)ccc1NCc1c[nH+]cn1C(C)C ZINC000424160977 1028864708 /nfs/dbraw/zinc/86/47/08/1028864708.db2.gz XTPYPKRDUIBMRV-UHFFFAOYSA-N 1 2 330.501 3.938 20 0 EHADLO COc1cccc(SCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421844415 1028869982 /nfs/dbraw/zinc/86/99/82/1028869982.db2.gz OFPUKSAQILYSRI-UHFFFAOYSA-N 1 2 329.465 3.820 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000445495355 1028873352 /nfs/dbraw/zinc/87/33/52/1028873352.db2.gz UFCVZZCJAAKDEI-CVEARBPZSA-N 1 2 330.255 3.936 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000445495355 1028873368 /nfs/dbraw/zinc/87/33/68/1028873368.db2.gz UFCVZZCJAAKDEI-CVEARBPZSA-N 1 2 330.255 3.936 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c(C)c1 ZINC000504750675 1028880398 /nfs/dbraw/zinc/88/03/98/1028880398.db2.gz OOPFNOOMVGLPEU-ZIFCJYIRSA-N 1 2 337.467 3.648 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2cccs2)o1 ZINC000248601349 1028922005 /nfs/dbraw/zinc/92/20/05/1028922005.db2.gz CQQVQMWOQVDQSL-ZFWWWQNUSA-N 1 2 348.468 3.502 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2cccs2)o1 ZINC000248601349 1028922021 /nfs/dbraw/zinc/92/20/21/1028922021.db2.gz CQQVQMWOQVDQSL-ZFWWWQNUSA-N 1 2 348.468 3.502 20 0 EHADLO CCc1cccc2c1OCC[C@H]2NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454446665 1028934871 /nfs/dbraw/zinc/93/48/71/1028934871.db2.gz YAURHTWSQVTIAO-GOSISDBHSA-N 1 2 339.439 3.584 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000248707069 1028938488 /nfs/dbraw/zinc/93/84/88/1028938488.db2.gz MDFRELORZSEFSN-LIRRHRJNSA-N 1 2 344.480 3.872 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000248707069 1028938499 /nfs/dbraw/zinc/93/84/99/1028938499.db2.gz MDFRELORZSEFSN-LIRRHRJNSA-N 1 2 344.480 3.872 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000583136523 1028948616 /nfs/dbraw/zinc/94/86/16/1028948616.db2.gz BDVABYSFLAIMMQ-UHFFFAOYSA-N 1 2 325.456 3.546 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000248824356 1028951736 /nfs/dbraw/zinc/95/17/36/1028951736.db2.gz GMVFQLJIJLJHOJ-LJQANCHMSA-N 1 2 343.446 3.559 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000248824356 1028951747 /nfs/dbraw/zinc/95/17/47/1028951747.db2.gz GMVFQLJIJLJHOJ-LJQANCHMSA-N 1 2 343.446 3.559 20 0 EHADLO C[C@@H]1C[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000248817757 1028952806 /nfs/dbraw/zinc/95/28/06/1028952806.db2.gz DKKMOCYYZDPVJQ-NJAPINKUSA-N 1 2 331.847 3.520 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CSc1nnc(C2CC2)s1 ZINC000445598592 1028981062 /nfs/dbraw/zinc/98/10/62/1028981062.db2.gz AFWWHJJRIOFZQM-UHFFFAOYSA-N 1 2 328.466 3.953 20 0 EHADLO Cc1oc2nc(C[N@H+](Cc3ccccc3C)C3CC3)nc(N)c2c1C ZINC000532927274 1029050511 /nfs/dbraw/zinc/05/05/11/1029050511.db2.gz GQEBAULQLXSFHP-UHFFFAOYSA-N 1 2 336.439 3.895 20 0 EHADLO Cc1oc2nc(C[N@@H+](Cc3ccccc3C)C3CC3)nc(N)c2c1C ZINC000532927274 1029050530 /nfs/dbraw/zinc/05/05/30/1029050530.db2.gz GQEBAULQLXSFHP-UHFFFAOYSA-N 1 2 336.439 3.895 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(COC(C)C)cc2)c[nH+]1 ZINC000454583128 1029099011 /nfs/dbraw/zinc/09/90/11/1029099011.db2.gz ZARLSXRYDCOENU-UHFFFAOYSA-N 1 2 327.428 3.945 20 0 EHADLO COc1ccccc1CC(C)(C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422168198 1029106687 /nfs/dbraw/zinc/10/66/87/1029106687.db2.gz SJXPXXOKMOKKNO-UHFFFAOYSA-N 1 2 341.455 3.528 20 0 EHADLO C[N@H+](Cc1nc(C(C)(C)Cc2ccccc2)no1)[C@H]1CCSC1 ZINC000445778293 1029121253 /nfs/dbraw/zinc/12/12/53/1029121253.db2.gz WHHFHNORIKPQNP-HNNXBMFYSA-N 1 2 331.485 3.527 20 0 EHADLO C[N@@H+](Cc1nc(C(C)(C)Cc2ccccc2)no1)[C@H]1CCSC1 ZINC000445778293 1029121258 /nfs/dbraw/zinc/12/12/58/1029121258.db2.gz WHHFHNORIKPQNP-HNNXBMFYSA-N 1 2 331.485 3.527 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000077548171 1029125396 /nfs/dbraw/zinc/12/53/96/1029125396.db2.gz OKSLVHNTEVHWBR-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000077548169 1029125590 /nfs/dbraw/zinc/12/55/90/1029125590.db2.gz OKSLVHNTEVHWBR-VQIMIIECSA-N 1 2 340.471 3.699 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000445793121 1029130711 /nfs/dbraw/zinc/13/07/11/1029130711.db2.gz HEZOGSPJNRQCLP-NRFANRHFSA-N 1 2 336.435 3.631 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000445793121 1029130716 /nfs/dbraw/zinc/13/07/16/1029130716.db2.gz HEZOGSPJNRQCLP-NRFANRHFSA-N 1 2 336.435 3.631 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000524372784 1029135601 /nfs/dbraw/zinc/13/56/01/1029135601.db2.gz PCTCHWRJZXWLID-GOSISDBHSA-N 1 2 340.471 3.665 20 0 EHADLO Cc1c(C[N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000583183924 1029157594 /nfs/dbraw/zinc/15/75/94/1029157594.db2.gz IPIQZUORUAKCDX-UHFFFAOYSA-N 1 2 330.819 3.669 20 0 EHADLO Cc1c(C[N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000583183924 1029157598 /nfs/dbraw/zinc/15/75/98/1029157598.db2.gz IPIQZUORUAKCDX-UHFFFAOYSA-N 1 2 330.819 3.669 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000424600899 1029158843 /nfs/dbraw/zinc/15/88/43/1029158843.db2.gz UMIGLEVTUNLKRT-AWEZNQCLSA-N 1 2 343.496 3.647 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000424600899 1029158846 /nfs/dbraw/zinc/15/88/46/1029158846.db2.gz UMIGLEVTUNLKRT-AWEZNQCLSA-N 1 2 343.496 3.647 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000524410589 1029163799 /nfs/dbraw/zinc/16/37/99/1029163799.db2.gz GDZBWIUVNWVPNP-MSOLQXFVSA-N 1 2 344.499 3.556 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475634929 1029166285 /nfs/dbraw/zinc/16/62/85/1029166285.db2.gz LVGBBEMTDOMPKL-GDBMZVCRSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475634929 1029166296 /nfs/dbraw/zinc/16/62/96/1029166296.db2.gz LVGBBEMTDOMPKL-GDBMZVCRSA-N 1 2 330.255 3.763 20 0 EHADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nonc2C)cc1 ZINC000271791135 1029171952 /nfs/dbraw/zinc/17/19/52/1029171952.db2.gz KDMXUVLYMBCBMT-SFHVURJKSA-N 1 2 341.386 3.599 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC[C@H](n3ccnn3)C2)c1 ZINC000425281260 1029185856 /nfs/dbraw/zinc/18/58/56/1029185856.db2.gz ZNCQHCDDXOGRPP-AWEZNQCLSA-N 1 2 347.344 3.687 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000271820436 1029186474 /nfs/dbraw/zinc/18/64/74/1029186474.db2.gz VPPGMCTWFOSIGM-ZDUSSCGKSA-N 1 2 340.452 3.671 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000533012337 1029194498 /nfs/dbraw/zinc/19/44/98/1029194498.db2.gz CSBSEGBFALOANE-GOSISDBHSA-N 1 2 338.480 3.984 20 0 EHADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000533012337 1029194509 /nfs/dbraw/zinc/19/45/09/1029194509.db2.gz CSBSEGBFALOANE-GOSISDBHSA-N 1 2 338.480 3.984 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH+]3CCC(OC(C)C)CC3)nc(=O)c2c1C ZINC000533016839 1029199809 /nfs/dbraw/zinc/19/98/09/1029199809.db2.gz ONWLAFGWUYBWPE-LBPRGKRZSA-N 1 2 349.500 3.964 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3c(F)cccc3N3CCCC3)cn2c1 ZINC000271883409 1029215649 /nfs/dbraw/zinc/21/56/49/1029215649.db2.gz PYXOGSBOQNOESG-UHFFFAOYSA-N 1 2 338.430 3.672 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3nnc(CC)[nH]3)oc21 ZINC000271902832 1029222563 /nfs/dbraw/zinc/22/25/63/1029222563.db2.gz WBOAPGFNYMJPCX-NEPJUHHUSA-N 1 2 328.416 3.924 20 0 EHADLO Clc1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000533049996 1029235158 /nfs/dbraw/zinc/23/51/58/1029235158.db2.gz LDOVUSUDAPXWRF-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000271985054 1029257731 /nfs/dbraw/zinc/25/77/31/1029257731.db2.gz XVWWFFQOWGEXFH-CQSZACIVSA-N 1 2 347.484 3.606 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[NH+]1CCC2(COC2)CC1 ZINC001142080552 1029264443 /nfs/dbraw/zinc/26/44/43/1029264443.db2.gz IMNPRIKSCNBUDW-UHFFFAOYSA-N 1 2 348.643 3.854 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000278136974 1029276383 /nfs/dbraw/zinc/27/63/83/1029276383.db2.gz XMBCPNAGLWGCAE-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000278136974 1029276391 /nfs/dbraw/zinc/27/63/91/1029276391.db2.gz XMBCPNAGLWGCAE-SNVBAGLBSA-N 1 2 344.242 3.758 20 0 EHADLO Cc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)ccc1CO ZINC001211570366 1029285541 /nfs/dbraw/zinc/28/55/41/1029285541.db2.gz AYBVEGAFZFKUJH-UHFFFAOYSA-N 1 2 329.400 3.973 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCN1c1ccccc1 ZINC000475988478 1029334186 /nfs/dbraw/zinc/33/41/86/1029334186.db2.gz URLSMCASFWJQFL-BEFAXECRSA-N 1 2 346.434 3.930 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(Cl)nc1 ZINC000272294251 1029402326 /nfs/dbraw/zinc/40/23/26/1029402326.db2.gz SKURJPIRDRADKN-MCIONIFRSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000125063283 1029409237 /nfs/dbraw/zinc/40/92/37/1029409237.db2.gz GSRVKHZSXWGAQY-DAYGRLMNSA-N 1 2 329.419 3.626 20 0 EHADLO Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000079952801 1029416182 /nfs/dbraw/zinc/41/61/82/1029416182.db2.gz ZITJIYRQVJLIKG-UHFFFAOYSA-N 1 2 348.450 3.548 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(Br)c(Cl)c2)n1 ZINC000393495486 1029422948 /nfs/dbraw/zinc/42/29/48/1029422948.db2.gz HYLDKZOYNXZSMW-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO Cc1cn2cc(NC(=O)CCCc3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000446149259 1029436311 /nfs/dbraw/zinc/43/63/11/1029436311.db2.gz JEDNSXCNXGJDSS-UHFFFAOYSA-N 1 2 329.350 3.882 20 0 EHADLO CSc1ccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000261488190 1029445913 /nfs/dbraw/zinc/44/59/13/1029445913.db2.gz WEELWRSUDRBCJL-UHFFFAOYSA-N 1 2 337.448 3.833 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)[C@H]2CCCCCC(=O)C2)ccc1Cl ZINC000487519435 1029456698 /nfs/dbraw/zinc/45/66/98/1029456698.db2.gz LHFFLXICBQLDTA-ZDUSSCGKSA-N 1 2 336.863 3.880 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCCC1CCCCC1 ZINC000505330445 1029475981 /nfs/dbraw/zinc/47/59/81/1029475981.db2.gz KKYDWGCZLQUQHN-SJLPKXTDSA-N 1 2 329.488 3.631 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224724 1029491755 /nfs/dbraw/zinc/49/17/55/1029491755.db2.gz GYDKKEHEDRGVPD-HOTGVXAUSA-N 1 2 328.456 3.848 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000533224724 1029491765 /nfs/dbraw/zinc/49/17/65/1029491765.db2.gz GYDKKEHEDRGVPD-HOTGVXAUSA-N 1 2 328.456 3.848 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000533241993 1029500500 /nfs/dbraw/zinc/50/05/00/1029500500.db2.gz XSBFAAVBFKSVIE-HOTGVXAUSA-N 1 2 328.431 3.832 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000533241993 1029500513 /nfs/dbraw/zinc/50/05/13/1029500513.db2.gz XSBFAAVBFKSVIE-HOTGVXAUSA-N 1 2 328.431 3.832 20 0 EHADLO COc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccc1F ZINC000583275781 1029516004 /nfs/dbraw/zinc/51/60/04/1029516004.db2.gz XDDNPFDFIVLQSE-UHFFFAOYSA-N 1 2 340.851 3.871 20 0 EHADLO [NH3+]C1(c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)CCCC1 ZINC000261861123 1029521099 /nfs/dbraw/zinc/52/10/99/1029521099.db2.gz UHVFYLRJRDWDHS-UHFFFAOYSA-N 1 2 329.791 3.508 20 0 EHADLO FC(F)(F)[C@@H]1CC[C@H](C[NH+](Cc2ccco2)Cc2ccco2)O1 ZINC000929091188 1029545265 /nfs/dbraw/zinc/54/52/65/1029545265.db2.gz IKURHXNKFUBSPJ-CABCVRRESA-N 1 2 329.318 3.985 20 0 EHADLO Nc1ncc(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)s1 ZINC000262110925 1029562095 /nfs/dbraw/zinc/56/20/95/1029562095.db2.gz WIYNIRFOSZCFAO-ZDUSSCGKSA-N 1 2 333.848 3.592 20 0 EHADLO Nc1ncc(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)s1 ZINC000262110925 1029562104 /nfs/dbraw/zinc/56/21/04/1029562104.db2.gz WIYNIRFOSZCFAO-ZDUSSCGKSA-N 1 2 333.848 3.592 20 0 EHADLO FC(F)Oc1cc2c(cc1CNc1ccc3c(c1)CCC[NH2+]3)OCO2 ZINC000414843766 1029565175 /nfs/dbraw/zinc/56/51/75/1029565175.db2.gz CTPHSVCSIWHTJI-UHFFFAOYSA-N 1 2 348.349 3.987 20 0 EHADLO Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000272716162 1029578806 /nfs/dbraw/zinc/57/88/06/1029578806.db2.gz CWWATYFSXBZPPZ-UHFFFAOYSA-N 1 2 349.438 3.575 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc4ccccn34)[C@@H](C)CO2)c1 ZINC000533290558 1029583161 /nfs/dbraw/zinc/58/31/61/1029583161.db2.gz DHOVIXKUABOBHR-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc4ccccn34)[C@@H](C)CO2)c1 ZINC000533290558 1029583170 /nfs/dbraw/zinc/58/31/70/1029583170.db2.gz DHOVIXKUABOBHR-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO C[C@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000079210975 1029587060 /nfs/dbraw/zinc/58/70/60/1029587060.db2.gz VMUZTNHUDZREBW-QFBILLFUSA-N 1 2 340.471 3.652 20 0 EHADLO CCN(CCc1cccs1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000343174651 1029621975 /nfs/dbraw/zinc/62/19/75/1029621975.db2.gz UOCMDYUWOZZWOD-UHFFFAOYSA-N 1 2 339.464 3.947 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000125968307 1029642804 /nfs/dbraw/zinc/64/28/04/1029642804.db2.gz MZCXKLRAMMBZPA-CQSZACIVSA-N 1 2 341.484 3.848 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000125968307 1029642828 /nfs/dbraw/zinc/64/28/28/1029642828.db2.gz MZCXKLRAMMBZPA-CQSZACIVSA-N 1 2 341.484 3.848 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000155792187 1029652115 /nfs/dbraw/zinc/65/21/15/1029652115.db2.gz DWSFJQBMORMPGY-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1 ZINC001168274680 1029654909 /nfs/dbraw/zinc/65/49/09/1029654909.db2.gz GVQPHBFDWILZIP-SFHVURJKSA-N 1 2 344.817 3.643 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1 ZINC001168274680 1029654913 /nfs/dbraw/zinc/65/49/13/1029654913.db2.gz GVQPHBFDWILZIP-SFHVURJKSA-N 1 2 344.817 3.643 20 0 EHADLO Cc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccc1CO ZINC001211575271 1029676422 /nfs/dbraw/zinc/67/64/22/1029676422.db2.gz MPXYUOMUZGURBU-UHFFFAOYSA-N 1 2 343.224 3.964 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001142092038 1029679635 /nfs/dbraw/zinc/67/96/35/1029679635.db2.gz LPQYZLACPUVSNH-RNCFNFMXSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001142092038 1029679641 /nfs/dbraw/zinc/67/96/41/1029679641.db2.gz LPQYZLACPUVSNH-RNCFNFMXSA-N 1 2 348.643 3.852 20 0 EHADLO CCC[N@H+](Cc1noc(CC)n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126335 1029697687 /nfs/dbraw/zinc/69/76/87/1029697687.db2.gz XLYSGSULLIPNHZ-CVEARBPZSA-N 1 2 335.492 3.972 20 0 EHADLO CCC[N@@H+](Cc1noc(CC)n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000525126335 1029697690 /nfs/dbraw/zinc/69/76/90/1029697690.db2.gz XLYSGSULLIPNHZ-CVEARBPZSA-N 1 2 335.492 3.972 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428595394 1029737066 /nfs/dbraw/zinc/73/70/66/1029737066.db2.gz FVGOHMDSWUPKLE-FUHWJXTLSA-N 1 2 346.519 3.966 20 0 EHADLO CCCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(OC)cc1 ZINC000583383922 1029739242 /nfs/dbraw/zinc/73/92/42/1029739242.db2.gz YJSAGHCUHOSLGA-VQIMIIECSA-N 1 2 341.455 3.502 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000583385631 1029747301 /nfs/dbraw/zinc/74/73/01/1029747301.db2.gz OHEUJKVNWOWAET-UHFFFAOYSA-N 1 2 339.487 3.606 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000428623902 1029782790 /nfs/dbraw/zinc/78/27/90/1029782790.db2.gz IGBICJIHSPIJNI-KZNAEPCWSA-N 1 2 346.519 3.836 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)o1 ZINC000525274470 1029784232 /nfs/dbraw/zinc/78/42/32/1029784232.db2.gz OYWNEQNLGCGQQN-BEFAXECRSA-N 1 2 343.423 3.645 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)o1 ZINC000525274470 1029784239 /nfs/dbraw/zinc/78/42/39/1029784239.db2.gz OYWNEQNLGCGQQN-BEFAXECRSA-N 1 2 343.423 3.645 20 0 EHADLO Fc1ccc(Br)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000093063359 1029790830 /nfs/dbraw/zinc/79/08/30/1029790830.db2.gz WPQANXBHFDWKHC-UHFFFAOYSA-N 1 2 341.249 3.823 20 0 EHADLO C[N@@H+]1CCN(C(=O)[C@@H]2SCCc3sccc32)c2ccccc2C1 ZINC000080029329 1029812230 /nfs/dbraw/zinc/81/22/30/1029812230.db2.gz PNKQEMGEZGKTAT-QGZVFWFLSA-N 1 2 344.505 3.557 20 0 EHADLO C[N@H+]1CCN(C(=O)[C@@H]2SCCc3sccc32)c2ccccc2C1 ZINC000080029329 1029812240 /nfs/dbraw/zinc/81/22/40/1029812240.db2.gz PNKQEMGEZGKTAT-QGZVFWFLSA-N 1 2 344.505 3.557 20 0 EHADLO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nnc(C)[nH]2)s1 ZINC000428457582 1029835699 /nfs/dbraw/zinc/83/56/99/1029835699.db2.gz KAYBOGKNEHBHOU-UHFFFAOYSA-N 1 2 326.469 3.728 20 0 EHADLO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nnc(C)[nH]2)s1 ZINC000428457582 1029835705 /nfs/dbraw/zinc/83/57/05/1029835705.db2.gz KAYBOGKNEHBHOU-UHFFFAOYSA-N 1 2 326.469 3.728 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2nc(CC(F)(F)F)cs2)c[nH+]1 ZINC000455691304 1029845030 /nfs/dbraw/zinc/84/50/30/1029845030.db2.gz WSJGPZLAHGDGSR-UHFFFAOYSA-N 1 2 344.362 3.581 20 0 EHADLO Cc1nc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)cs1 ZINC000449671783 1029866138 /nfs/dbraw/zinc/86/61/38/1029866138.db2.gz TWAYGBVYQAZMHO-CQSZACIVSA-N 1 2 331.268 3.756 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000536041870 1029876101 /nfs/dbraw/zinc/87/61/01/1029876101.db2.gz NSIGCRGNOFEFRQ-MRXNPFEDSA-N 1 2 328.843 3.904 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000536041870 1029876109 /nfs/dbraw/zinc/87/61/09/1029876109.db2.gz NSIGCRGNOFEFRQ-MRXNPFEDSA-N 1 2 328.843 3.904 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975421 1029878093 /nfs/dbraw/zinc/87/80/93/1029878093.db2.gz RARLINPTPAHHER-LKFCYVNXSA-N 1 2 348.365 3.571 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975421 1029878098 /nfs/dbraw/zinc/87/80/98/1029878098.db2.gz RARLINPTPAHHER-LKFCYVNXSA-N 1 2 348.365 3.571 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Br)c(C)c2F)c(C)c[nH+]1 ZINC000583474611 1029890424 /nfs/dbraw/zinc/89/04/24/1029890424.db2.gz DJSYXWYWXRLPSF-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000508757012 1029894962 /nfs/dbraw/zinc/89/49/62/1029894962.db2.gz KAENQKXVBZNZQQ-UHFFFAOYSA-N 1 2 326.440 3.801 20 0 EHADLO c1onc(Cc2ccccc2)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000508757012 1029894977 /nfs/dbraw/zinc/89/49/77/1029894977.db2.gz KAENQKXVBZNZQQ-UHFFFAOYSA-N 1 2 326.440 3.801 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000667948318 1029947861 /nfs/dbraw/zinc/94/78/61/1029947861.db2.gz YCCKGDHXJMEZSK-INIZCTEOSA-N 1 2 345.874 3.928 20 0 EHADLO CCC[N@H+](Cc1ccc(Br)s1)[C@H](C)C(=O)OCC ZINC000429698130 1029952532 /nfs/dbraw/zinc/95/25/32/1029952532.db2.gz BQPOFPOWVVKDAH-SNVBAGLBSA-N 1 2 334.279 3.674 20 0 EHADLO CCC[N@@H+](Cc1ccc(Br)s1)[C@H](C)C(=O)OCC ZINC000429698130 1029952548 /nfs/dbraw/zinc/95/25/48/1029952548.db2.gz BQPOFPOWVVKDAH-SNVBAGLBSA-N 1 2 334.279 3.674 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428704356 1029963303 /nfs/dbraw/zinc/96/33/03/1029963303.db2.gz AZNMLHXSBJFYHV-UHFFFAOYSA-N 1 2 346.515 3.709 20 0 EHADLO c1ccc(-c2noc(C3CC4(CCC4)C3)n2)c(C[NH+]2CCOCC2)c1 ZINC000583499360 1029963720 /nfs/dbraw/zinc/96/37/20/1029963720.db2.gz CRCRRTDSJYCEDD-UHFFFAOYSA-N 1 2 339.439 3.617 20 0 EHADLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C1CCCCC1 ZINC000481792925 1029969668 /nfs/dbraw/zinc/96/96/68/1029969668.db2.gz YOYOOXXOSMBQPY-IAGOWNOFSA-N 1 2 344.503 3.518 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)no1 ZINC000453283252 1030025202 /nfs/dbraw/zinc/02/52/02/1030025202.db2.gz MMRVCVBZAPXYAL-SMDDNHRTSA-N 1 2 328.334 3.776 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1C ZINC000556018190 1030054665 /nfs/dbraw/zinc/05/46/65/1030054665.db2.gz MCJBMGXFVIAYIT-DZGCQCFKSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1C ZINC000556018190 1030054683 /nfs/dbraw/zinc/05/46/83/1030054683.db2.gz MCJBMGXFVIAYIT-DZGCQCFKSA-N 1 2 347.846 3.933 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)nc1 ZINC000453304283 1030073196 /nfs/dbraw/zinc/07/31/96/1030073196.db2.gz OUSMWIAWFFBJPD-ZDUSSCGKSA-N 1 2 327.737 3.926 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000453306467 1030073768 /nfs/dbraw/zinc/07/37/68/1030073768.db2.gz JRLQEENSBWSECM-CYBMUJFWSA-N 1 2 340.652 3.613 20 0 EHADLO Cc1ccn(-c2ccccc2NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000090201119 1030090216 /nfs/dbraw/zinc/09/02/16/1030090216.db2.gz UYCPRXNDHSBDRY-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000600640968 1030096565 /nfs/dbraw/zinc/09/65/65/1030096565.db2.gz JMZDNOVHWSHYJI-DLBZAZTESA-N 1 2 325.456 3.530 20 0 EHADLO Cc1nc(C)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)s1 ZINC000531942432 1030109196 /nfs/dbraw/zinc/10/91/96/1030109196.db2.gz QBAAFORQMCHHNP-CJNGLKHVSA-N 1 2 326.469 3.934 20 0 EHADLO Fc1c(Br)ccc(CSCCn2cc[nH+]c2)c1F ZINC000600650636 1030109481 /nfs/dbraw/zinc/10/94/81/1030109481.db2.gz OVSWMURADFBXSB-UHFFFAOYSA-N 1 2 333.201 3.857 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)c1nccn1CC)CCC2 ZINC000453335841 1030116108 /nfs/dbraw/zinc/11/61/08/1030116108.db2.gz DXBGQAICFNBCCF-KGLIPLIRSA-N 1 2 345.443 3.709 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453349570 1030137332 /nfs/dbraw/zinc/13/73/32/1030137332.db2.gz DMLPJKUTRAWOKE-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO Cc1ccc(Cl)cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000126856565 1030147858 /nfs/dbraw/zinc/14/78/58/1030147858.db2.gz ROKGIZSIIZRJPF-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccsc2C1 ZINC000121256538 1030224073 /nfs/dbraw/zinc/22/40/73/1030224073.db2.gz ABTUGOKAFYBCQM-ZZXKWVIFSA-N 1 2 335.432 3.532 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)c2)oc1C ZINC000377775759 1030227356 /nfs/dbraw/zinc/22/73/56/1030227356.db2.gz DFOGLABXGKZKMY-OAHLLOKOSA-N 1 2 336.395 3.740 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccs1 ZINC000091211699 1030242732 /nfs/dbraw/zinc/24/27/32/1030242732.db2.gz NZGSIAAIHUJMBY-UHFFFAOYSA-N 1 2 325.437 3.528 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000159575550 1030275556 /nfs/dbraw/zinc/27/55/56/1030275556.db2.gz YAZYLJHYWGVNRE-NYHFZMIOSA-N 1 2 336.526 3.650 20 0 EHADLO COCc1csc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000667993125 1030284042 /nfs/dbraw/zinc/28/40/42/1030284042.db2.gz OXBGRGURROMJES-CQSZACIVSA-N 1 2 336.526 3.835 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000091792280 1030308249 /nfs/dbraw/zinc/30/82/49/1030308249.db2.gz XLRAJIITYKQKFE-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000091868119 1030322549 /nfs/dbraw/zinc/32/25/49/1030322549.db2.gz OXDOLZAAOVHHKQ-UHFFFAOYSA-N 1 2 347.434 3.588 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000526002363 1030340991 /nfs/dbraw/zinc/34/09/91/1030340991.db2.gz FWGIFXKKPWBHFX-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000526002363 1030341005 /nfs/dbraw/zinc/34/10/05/1030341005.db2.gz FWGIFXKKPWBHFX-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(F)(c2ccccc2)CC1 ZINC000447612593 1030346791 /nfs/dbraw/zinc/34/67/91/1030346791.db2.gz SXVYWGWMIXKDQB-UHFFFAOYSA-N 1 2 349.409 3.973 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091990301 1030357194 /nfs/dbraw/zinc/35/71/94/1030357194.db2.gz SSMHXYGGAGMYCM-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000091990301 1030357210 /nfs/dbraw/zinc/35/72/10/1030357210.db2.gz SSMHXYGGAGMYCM-QGZVFWFLSA-N 1 2 349.434 3.901 20 0 EHADLO Fc1cc2c(cc1F)N(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000526083791 1030406567 /nfs/dbraw/zinc/40/65/67/1030406567.db2.gz CVNMNFVBTBLPDD-UHFFFAOYSA-N 1 2 325.362 3.772 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(Cl)c2F)C[C@]2(CCCOC2)O1 ZINC000482435566 1030413716 /nfs/dbraw/zinc/41/37/16/1030413716.db2.gz AUYYINGWCRSZHX-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2F)C[C@]2(CCCOC2)O1 ZINC000482435566 1030413726 /nfs/dbraw/zinc/41/37/26/1030413726.db2.gz AUYYINGWCRSZHX-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@]2(CCCOC2)O1 ZINC000482436078 1030417121 /nfs/dbraw/zinc/41/71/21/1030417121.db2.gz BXYZTGPNLOPDEB-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@]2(CCCOC2)O1 ZINC000482436078 1030417127 /nfs/dbraw/zinc/41/71/27/1030417127.db2.gz BXYZTGPNLOPDEB-KRWDZBQOSA-N 1 2 327.827 3.639 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1occc1-c1ccccc1 ZINC000343352983 1030450405 /nfs/dbraw/zinc/45/04/05/1030450405.db2.gz JTCYUQJVMZVHIY-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(-c2ccoc2)c1 ZINC000343356037 1030472587 /nfs/dbraw/zinc/47/25/87/1030472587.db2.gz XWXMYKPIOTXNRX-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO CCc1cc(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)on1 ZINC000532232169 1030486413 /nfs/dbraw/zinc/48/64/13/1030486413.db2.gz HVTJPSPVYXQCGK-OAHLLOKOSA-N 1 2 328.334 3.733 20 0 EHADLO CC(C)c1cncc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC000888237191 1030497844 /nfs/dbraw/zinc/49/78/44/1030497844.db2.gz VWBUXFPFGCCZLU-UHFFFAOYSA-N 1 2 349.438 3.766 20 0 EHADLO CC(C)(C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000482525433 1030503566 /nfs/dbraw/zinc/50/35/66/1030503566.db2.gz IRMNWKUWOMIQSL-UHFFFAOYSA-N 1 2 341.455 3.572 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000583711321 1030531401 /nfs/dbraw/zinc/53/14/01/1030531401.db2.gz QAGFBBMWXGZVMR-LJQANCHMSA-N 1 2 326.440 3.589 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000583711321 1030531408 /nfs/dbraw/zinc/53/14/08/1030531408.db2.gz QAGFBBMWXGZVMR-LJQANCHMSA-N 1 2 326.440 3.589 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cnc3c(c1)CCCC3)C2 ZINC000527005628 1030558532 /nfs/dbraw/zinc/55/85/32/1030558532.db2.gz IUHGLALNMMXBLG-CQSZACIVSA-N 1 2 338.455 3.551 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cnc3c(c1)CCCC3)CC2 ZINC000527005628 1030558545 /nfs/dbraw/zinc/55/85/45/1030558545.db2.gz IUHGLALNMMXBLG-CQSZACIVSA-N 1 2 338.455 3.551 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccnn1CC1CC1 ZINC000668081507 1030569454 /nfs/dbraw/zinc/56/94/54/1030569454.db2.gz ZOAXWZPWNIKTBX-GOSISDBHSA-N 1 2 333.863 3.766 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000668081507 1030569459 /nfs/dbraw/zinc/56/94/59/1030569459.db2.gz ZOAXWZPWNIKTBX-GOSISDBHSA-N 1 2 333.863 3.766 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000447890784 1030570218 /nfs/dbraw/zinc/57/02/18/1030570218.db2.gz ZSFUJZGIUGKGPG-KBPBESRZSA-N 1 2 347.846 3.748 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000066437965 1030572730 /nfs/dbraw/zinc/57/27/30/1030572730.db2.gz QCYQLVQTPNBPLR-CYBMUJFWSA-N 1 2 342.405 3.627 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000066437965 1030572748 /nfs/dbraw/zinc/57/27/48/1030572748.db2.gz QCYQLVQTPNBPLR-CYBMUJFWSA-N 1 2 342.405 3.627 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)s1 ZINC000447898013 1030576567 /nfs/dbraw/zinc/57/65/67/1030576567.db2.gz QXQWZNNTPOXDTF-UHFFFAOYSA-N 1 2 337.533 3.615 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000583734778 1030580089 /nfs/dbraw/zinc/58/00/89/1030580089.db2.gz VYYJLEULWXMKCC-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000583734778 1030580099 /nfs/dbraw/zinc/58/00/99/1030580099.db2.gz VYYJLEULWXMKCC-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000653483629 1030584342 /nfs/dbraw/zinc/58/43/42/1030584342.db2.gz YKWRTFITLZERHD-UHFFFAOYSA-N 1 2 332.488 3.509 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(C(F)(F)F)CCCCC1 ZINC000668090113 1030585094 /nfs/dbraw/zinc/58/50/94/1030585094.db2.gz FYKSBDDBEKZIHN-GFCCVEGCSA-N 1 2 329.366 3.629 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668091763 1030592093 /nfs/dbraw/zinc/59/20/93/1030592093.db2.gz OOHXEIOUHAYOFL-UHFFFAOYSA-N 1 2 329.391 3.793 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668091763 1030592107 /nfs/dbraw/zinc/59/21/07/1030592107.db2.gz OOHXEIOUHAYOFL-UHFFFAOYSA-N 1 2 329.391 3.793 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000093421731 1030612498 /nfs/dbraw/zinc/61/24/98/1030612498.db2.gz CUVZNEMWYSLBQL-HUUCEWRRSA-N 1 2 335.469 3.508 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000093421731 1030612505 /nfs/dbraw/zinc/61/25/05/1030612505.db2.gz CUVZNEMWYSLBQL-HUUCEWRRSA-N 1 2 335.469 3.508 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)[nH+]c12 ZINC000527092696 1030639093 /nfs/dbraw/zinc/63/90/93/1030639093.db2.gz RXXZOMONWZIIFD-RTBURBONSA-N 1 2 347.462 3.713 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1OC ZINC000093660724 1030645807 /nfs/dbraw/zinc/64/58/07/1030645807.db2.gz YXCCQVWDHXNVSA-QAPCUYQASA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1OC ZINC000093660724 1030645822 /nfs/dbraw/zinc/64/58/22/1030645822.db2.gz YXCCQVWDHXNVSA-QAPCUYQASA-N 1 2 327.424 3.666 20 0 EHADLO C[C@H](CC(=O)N1CCN(C2CC2)c2cc(Cl)ccc21)n1cc[nH+]c1 ZINC000583755920 1030665791 /nfs/dbraw/zinc/66/57/91/1030665791.db2.gz ISYTYCFOWDZCPU-CYBMUJFWSA-N 1 2 344.846 3.503 20 0 EHADLO CCO[C@H](C)c1nc(CN(C)Cc2c[nH+]c3c(C)cccn23)cs1 ZINC000093737466 1030666873 /nfs/dbraw/zinc/66/68/73/1030666873.db2.gz PUVVBSSZJVDILU-CQSZACIVSA-N 1 2 344.484 3.829 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccnn1C)[C@@H](c1ccccc1)C2 ZINC000093812034 1030681526 /nfs/dbraw/zinc/68/15/26/1030681526.db2.gz KXBRJDZVYMUZMS-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccnn1C)[C@@H](c1ccccc1)C2 ZINC000093812034 1030681533 /nfs/dbraw/zinc/68/15/33/1030681533.db2.gz KXBRJDZVYMUZMS-OAQYLSRUSA-N 1 2 333.435 3.728 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000482812576 1030723989 /nfs/dbraw/zinc/72/39/89/1030723989.db2.gz YBULATLNJWQZFJ-QFBILLFUSA-N 1 2 339.483 3.833 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1Cl ZINC000122769649 1030732426 /nfs/dbraw/zinc/73/24/26/1030732426.db2.gz DUNOKSGOVREFSD-UHFFFAOYSA-N 1 2 327.771 3.991 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000448119956 1030743819 /nfs/dbraw/zinc/74/38/19/1030743819.db2.gz TVERRWBLGYDYTI-HOTGVXAUSA-N 1 2 347.503 3.605 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142162 1030765587 /nfs/dbraw/zinc/76/55/87/1030765587.db2.gz UJVBTAPATANZDQ-DNVCBOLYSA-N 1 2 340.471 3.985 20 0 EHADLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668142162 1030765598 /nfs/dbraw/zinc/76/55/98/1030765598.db2.gz UJVBTAPATANZDQ-DNVCBOLYSA-N 1 2 340.471 3.985 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCc2cccc(Cl)c2)c2cn[nH]n2)cc1 ZINC000550887068 1030767641 /nfs/dbraw/zinc/76/76/41/1030767641.db2.gz LRLLQDLXXRNPSU-KRWDZBQOSA-N 1 2 330.794 3.519 20 0 EHADLO Cc1nc(F)ccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000278427290 1030777404 /nfs/dbraw/zinc/77/74/04/1030777404.db2.gz JJZXYWNTYAZHTL-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO Cc1nc(F)ccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000278427290 1030777422 /nfs/dbraw/zinc/77/74/22/1030777422.db2.gz JJZXYWNTYAZHTL-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3c(C)cccc32)cs1 ZINC000657797732 1030823790 /nfs/dbraw/zinc/82/37/90/1030823790.db2.gz MCRYXFVSTKSOHU-GOSISDBHSA-N 1 2 343.496 3.992 20 0 EHADLO CC(C)c1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000583817075 1030830482 /nfs/dbraw/zinc/83/04/82/1030830482.db2.gz WBMRAWGSFQSCRL-HNNXBMFYSA-N 1 2 337.427 3.782 20 0 EHADLO CC(C)CC1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000666033299 1030842989 /nfs/dbraw/zinc/84/29/89/1030842989.db2.gz NVKHCFATWVLTLC-UHFFFAOYSA-N 1 2 342.443 3.662 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1Br ZINC000448221999 1030846633 /nfs/dbraw/zinc/84/66/33/1030846633.db2.gz FAKHLYNBVQWJIX-LLVKDONJSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1Br ZINC000448221999 1030846662 /nfs/dbraw/zinc/84/66/62/1030846662.db2.gz FAKHLYNBVQWJIX-LLVKDONJSA-N 1 2 340.290 3.890 20 0 EHADLO COc1ccc(OCCCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000097040076 1030884408 /nfs/dbraw/zinc/88/44/08/1030884408.db2.gz GHNVLQGYIKQVJE-UHFFFAOYSA-N 1 2 328.412 3.813 20 0 EHADLO CC1(C)C[N@H+](Cc2cc3ccncc3s2)C[C@@H](C(F)(F)F)O1 ZINC000668187734 1030889317 /nfs/dbraw/zinc/88/93/17/1030889317.db2.gz PJVNHABMWIPBLV-ZDUSSCGKSA-N 1 2 330.375 3.838 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc3ccncc3s2)C[C@@H](C(F)(F)F)O1 ZINC000668187734 1030889340 /nfs/dbraw/zinc/88/93/40/1030889340.db2.gz PJVNHABMWIPBLV-ZDUSSCGKSA-N 1 2 330.375 3.838 20 0 EHADLO Cc1ccncc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000482999621 1030898776 /nfs/dbraw/zinc/89/87/76/1030898776.db2.gz SPTRAAWDVZKXTK-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO Cc1ccncc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000482999621 1030898797 /nfs/dbraw/zinc/89/87/97/1030898797.db2.gz SPTRAAWDVZKXTK-QGZVFWFLSA-N 1 2 347.462 3.852 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000080537470 1030903419 /nfs/dbraw/zinc/90/34/19/1030903419.db2.gz LBQMJLDFHSBWSZ-SFHVURJKSA-N 1 2 343.471 3.966 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(F)c(F)cc1Cl ZINC000097676647 1030948790 /nfs/dbraw/zinc/94/87/90/1030948790.db2.gz RBTNQSGAJIGKQD-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO Cc1c(F)c(Br)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000527536974 1030993661 /nfs/dbraw/zinc/99/36/61/1030993661.db2.gz VIYHAZKZTCTNPR-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000098068282 1030995760 /nfs/dbraw/zinc/99/57/60/1030995760.db2.gz OKRPRCVCFBFTKZ-MRXNPFEDSA-N 1 2 328.431 3.695 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000098068282 1030995772 /nfs/dbraw/zinc/99/57/72/1030995772.db2.gz OKRPRCVCFBFTKZ-MRXNPFEDSA-N 1 2 328.431 3.695 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC000668223403 1031052534 /nfs/dbraw/zinc/05/25/34/1031052534.db2.gz DKOGLAPFPYHQDX-UHFFFAOYSA-N 1 2 329.753 3.692 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1ccccc1F ZINC000123275690 1031053224 /nfs/dbraw/zinc/05/32/24/1031053224.db2.gz JABATEKVRPDKOO-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1ccccc1F ZINC000123275690 1031053241 /nfs/dbraw/zinc/05/32/41/1031053241.db2.gz JABATEKVRPDKOO-CQSZACIVSA-N 1 2 330.403 3.856 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC000583895415 1031062567 /nfs/dbraw/zinc/06/25/67/1031062567.db2.gz KOPJTRNMPQTFBR-UHFFFAOYSA-N 1 2 345.418 3.897 20 0 EHADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1cc(Br)ccc1F ZINC000628136146 1031064775 /nfs/dbraw/zinc/06/47/75/1031064775.db2.gz SAIPFMCKLHJOBF-UHFFFAOYSA-N 1 2 340.240 3.950 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000278491677 1031095322 /nfs/dbraw/zinc/09/53/22/1031095322.db2.gz UAZZKYIGXCGOLC-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000278491677 1031095339 /nfs/dbraw/zinc/09/53/39/1031095339.db2.gz UAZZKYIGXCGOLC-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000173747840 1031103090 /nfs/dbraw/zinc/10/30/90/1031103090.db2.gz MBNCKNHRYNECMQ-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(F)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483337605 1031110787 /nfs/dbraw/zinc/11/07/87/1031110787.db2.gz GXDKKERLRJRAFM-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483337605 1031110794 /nfs/dbraw/zinc/11/07/94/1031110794.db2.gz GXDKKERLRJRAFM-QGZVFWFLSA-N 1 2 327.827 3.639 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000173551680 1031111052 /nfs/dbraw/zinc/11/10/52/1031111052.db2.gz PUQASWWKBIOWEP-CYBMUJFWSA-N 1 2 339.361 3.730 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000173551680 1031111058 /nfs/dbraw/zinc/11/10/58/1031111058.db2.gz PUQASWWKBIOWEP-CYBMUJFWSA-N 1 2 339.361 3.730 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000483319114 1031112897 /nfs/dbraw/zinc/11/28/97/1031112897.db2.gz JVOBBOGFKCGAOT-LJQANCHMSA-N 1 2 331.504 3.707 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000483319114 1031112907 /nfs/dbraw/zinc/11/29/07/1031112907.db2.gz JVOBBOGFKCGAOT-LJQANCHMSA-N 1 2 331.504 3.707 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)o2)CC2(CCCC2)O1 ZINC000483328672 1031120246 /nfs/dbraw/zinc/12/02/46/1031120246.db2.gz BRMHDIVHQPTYTD-UHFFFAOYSA-N 1 2 328.250 3.966 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)o2)CC2(CCCC2)O1 ZINC000483328672 1031120255 /nfs/dbraw/zinc/12/02/55/1031120255.db2.gz BRMHDIVHQPTYTD-UHFFFAOYSA-N 1 2 328.250 3.966 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000455886427 1031146770 /nfs/dbraw/zinc/14/67/70/1031146770.db2.gz PVWADKNLSFDCKW-WNGAPAKLSA-N 1 2 349.478 3.930 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3ccc4cc[nH]c4c3)c[nH+]2)C[C@H](C)O1 ZINC000527683911 1031149626 /nfs/dbraw/zinc/14/96/26/1031149626.db2.gz WPWVNNYDRYBQCY-GASCZTMLSA-N 1 2 336.439 3.789 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(OC)c(OC)c3)CCO2)cc1 ZINC000483434396 1031168749 /nfs/dbraw/zinc/16/87/49/1031168749.db2.gz VWMDMYAYGPBJMH-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3)CCO2)cc1 ZINC000483434396 1031168763 /nfs/dbraw/zinc/16/87/63/1031168763.db2.gz VWMDMYAYGPBJMH-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc2cccnc12 ZINC000483439184 1031171751 /nfs/dbraw/zinc/17/17/51/1031171751.db2.gz NYWNFBDHLHYYNM-NRFANRHFSA-N 1 2 348.446 3.823 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc2cccnc12 ZINC000483439184 1031171758 /nfs/dbraw/zinc/17/17/58/1031171758.db2.gz NYWNFBDHLHYYNM-NRFANRHFSA-N 1 2 348.446 3.823 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@H](CC)C(=O)OCC ZINC000483438735 1031172666 /nfs/dbraw/zinc/17/26/66/1031172666.db2.gz YUIVNSXQSBGBOZ-MRXNPFEDSA-N 1 2 347.484 3.759 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@H](CC)C(=O)OCC ZINC000483438735 1031172674 /nfs/dbraw/zinc/17/26/74/1031172674.db2.gz YUIVNSXQSBGBOZ-MRXNPFEDSA-N 1 2 347.484 3.759 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnn(CC(C)C)c3)CCO2)cc1 ZINC000483445862 1031174803 /nfs/dbraw/zinc/17/48/03/1031174803.db2.gz VVWOBLDSXKSNFF-FQEVSTJZSA-N 1 2 327.472 3.675 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnn(CC(C)C)c3)CCO2)cc1 ZINC000483445862 1031174807 /nfs/dbraw/zinc/17/48/07/1031174807.db2.gz VVWOBLDSXKSNFF-FQEVSTJZSA-N 1 2 327.472 3.675 20 0 EHADLO Cc1cc(C)c(C[NH2+]Cc2ncc(Cl)cc2Br)cn1 ZINC000527717658 1031176037 /nfs/dbraw/zinc/17/60/37/1031176037.db2.gz QEPWVCVLJUSAQH-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO O=C(Nc1cc(F)ccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000551340070 1031246498 /nfs/dbraw/zinc/24/64/98/1031246498.db2.gz ATEWXPWCGXMLQI-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)no2)c1 ZINC000583975389 1031273900 /nfs/dbraw/zinc/27/39/00/1031273900.db2.gz UCAGXVXYVGMNGK-SFHVURJKSA-N 1 2 334.423 3.949 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)no2)c1 ZINC000583975389 1031273913 /nfs/dbraw/zinc/27/39/13/1031273913.db2.gz UCAGXVXYVGMNGK-SFHVURJKSA-N 1 2 334.423 3.949 20 0 EHADLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536167 1031287061 /nfs/dbraw/zinc/28/70/61/1031287061.db2.gz RNZLPFJJNBCLAO-MJGOQNOKSA-N 1 2 345.874 3.542 20 0 EHADLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536167 1031287075 /nfs/dbraw/zinc/28/70/75/1031287075.db2.gz RNZLPFJJNBCLAO-MJGOQNOKSA-N 1 2 345.874 3.542 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(c2cccc(F)c2)CCC1 ZINC000175244542 1031315604 /nfs/dbraw/zinc/31/56/04/1031315604.db2.gz IXGBHWXTNQGSSU-UHFFFAOYSA-N 1 2 349.409 3.750 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc2c1CCCC2 ZINC000448631413 1031353969 /nfs/dbraw/zinc/35/39/69/1031353969.db2.gz WMCRRCZZWNOFAE-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527869054 1031355067 /nfs/dbraw/zinc/35/50/67/1031355067.db2.gz ZVYNSPBRICYXNK-NVXWUHKLSA-N 1 2 325.456 3.756 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278562244 1031400606 /nfs/dbraw/zinc/40/06/06/1031400606.db2.gz BOWXWEYDDQERDG-WDEREUQCSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278562244 1031400613 /nfs/dbraw/zinc/40/06/13/1031400613.db2.gz BOWXWEYDDQERDG-WDEREUQCSA-N 1 2 325.334 3.671 20 0 EHADLO Fc1cc2c(cc1Cl)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000527875265 1031403654 /nfs/dbraw/zinc/40/36/54/1031403654.db2.gz CIEWQLCUPLPJRO-QGZVFWFLSA-N 1 2 347.821 3.810 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483992897 1031425231 /nfs/dbraw/zinc/42/52/31/1031425231.db2.gz HWVFUSIOJNGHBW-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000483992897 1031425247 /nfs/dbraw/zinc/42/52/47/1031425247.db2.gz HWVFUSIOJNGHBW-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000635408832 1031456326 /nfs/dbraw/zinc/45/63/26/1031456326.db2.gz PKQVLHOOYGVOPQ-LSDHHAIUSA-N 1 2 339.361 3.890 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cs1 ZINC000527939369 1031462673 /nfs/dbraw/zinc/46/26/73/1031462673.db2.gz OFJOWKXQRAZOKO-ZYHUDNBSSA-N 1 2 332.395 3.917 20 0 EHADLO Cn1ccc2ccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)cc21 ZINC000635410840 1031466053 /nfs/dbraw/zinc/46/60/53/1031466053.db2.gz JHXLRRWTGGSQNP-AWEZNQCLSA-N 1 2 336.317 3.507 20 0 EHADLO c1cn(CCCN2CCN(Cc3ccccc3)c3ccccc32)c[nH+]1 ZINC000343583193 1031482223 /nfs/dbraw/zinc/48/22/23/1031482223.db2.gz LXOCQXBLKTUEPP-UHFFFAOYSA-N 1 2 332.451 3.800 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347418135 1031507064 /nfs/dbraw/zinc/50/70/64/1031507064.db2.gz AUTDHAYMBUFDIN-QZTJIDSGSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccccc2)CCCCCC1 ZINC000527979760 1031513927 /nfs/dbraw/zinc/51/39/27/1031513927.db2.gz GTDCLSODPIKZOD-KRWDZBQOSA-N 1 2 325.456 3.680 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/Sc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000177549509 1031551285 /nfs/dbraw/zinc/55/12/85/1031551285.db2.gz IABOLEVFPIRBDO-AHXMNIMASA-N 1 2 327.453 3.599 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/Sc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000177549543 1031551614 /nfs/dbraw/zinc/55/16/14/1031551614.db2.gz IABOLEVFPIRBDO-FSQHETAGSA-N 1 2 327.453 3.599 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCCC[C@H]1c1ccco1 ZINC000177766491 1031565653 /nfs/dbraw/zinc/56/56/53/1031565653.db2.gz VADOCFMEOSZNDS-INIZCTEOSA-N 1 2 338.411 3.754 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000528006850 1031573474 /nfs/dbraw/zinc/57/34/74/1031573474.db2.gz PFHABEYYEFDCDR-NUJGCVRESA-N 1 2 333.863 3.709 20 0 EHADLO c1ccc(CC[N@H+](Cc2noc(-c3ccccc3)n2)[C@@H]2CCOC2)cc1 ZINC000084133823 1031576894 /nfs/dbraw/zinc/57/68/94/1031576894.db2.gz FDOCEJZKHFGNMO-LJQANCHMSA-N 1 2 349.434 3.570 20 0 EHADLO c1ccc(CC[N@@H+](Cc2noc(-c3ccccc3)n2)[C@@H]2CCOC2)cc1 ZINC000084133823 1031576905 /nfs/dbraw/zinc/57/69/05/1031576905.db2.gz FDOCEJZKHFGNMO-LJQANCHMSA-N 1 2 349.434 3.570 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347441637 1031589689 /nfs/dbraw/zinc/58/96/89/1031589689.db2.gz LCMMULQSDRRWCL-OALUTQOASA-N 1 2 339.483 3.956 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000347448392 1031613724 /nfs/dbraw/zinc/61/37/24/1031613724.db2.gz QRNRHZGFCYCUAL-UONOGXRCSA-N 1 2 347.409 3.598 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(Oc2ccccc2)o1 ZINC000178062808 1031615356 /nfs/dbraw/zinc/61/53/56/1031615356.db2.gz SPXSAWHXCBNTAY-UHFFFAOYSA-N 1 2 333.347 3.650 20 0 EHADLO CC(C)[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc(F)cc1F ZINC000343609497 1031626353 /nfs/dbraw/zinc/62/63/53/1031626353.db2.gz PHPOOBRLKFUPKF-KRWDZBQOSA-N 1 2 332.398 3.552 20 0 EHADLO CC(C)[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc(F)cc1F ZINC000343609497 1031626377 /nfs/dbraw/zinc/62/63/77/1031626377.db2.gz PHPOOBRLKFUPKF-KRWDZBQOSA-N 1 2 332.398 3.552 20 0 EHADLO COC(=O)CCC[N@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1 ZINC000343609759 1031626889 /nfs/dbraw/zinc/62/68/89/1031626889.db2.gz LMQWAXKHGAVMKL-UHFFFAOYSA-N 1 2 344.480 3.976 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1 ZINC000343609759 1031626900 /nfs/dbraw/zinc/62/69/00/1031626900.db2.gz LMQWAXKHGAVMKL-UHFFFAOYSA-N 1 2 344.480 3.976 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000347454411 1031630953 /nfs/dbraw/zinc/63/09/53/1031630953.db2.gz WAPXGMQWWQLBAH-KRWDZBQOSA-N 1 2 339.483 3.666 20 0 EHADLO Cc1cc(C)cc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000667016342 1031679774 /nfs/dbraw/zinc/67/97/74/1031679774.db2.gz MQWAAQOAFMMOBX-UHFFFAOYSA-N 1 2 343.496 3.927 20 0 EHADLO C[C@@H](Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667017634 1031692622 /nfs/dbraw/zinc/69/26/22/1031692622.db2.gz XPZIPBGRXCWFMV-ZDUSSCGKSA-N 1 2 333.457 3.539 20 0 EHADLO COc1cccc2c(NC[C@@H](n3cccn3)C(F)(F)F)cc[nH+]c12 ZINC000528081041 1031709967 /nfs/dbraw/zinc/70/99/67/1031709967.db2.gz ORCPEVRGYBINCI-CQSZACIVSA-N 1 2 336.317 3.655 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786346 1031716868 /nfs/dbraw/zinc/71/68/68/1031716868.db2.gz BPZWERSKQNPJFS-BHIYHBOVSA-N 1 2 345.414 3.621 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000133786346 1031716879 /nfs/dbraw/zinc/71/68/79/1031716879.db2.gz BPZWERSKQNPJFS-BHIYHBOVSA-N 1 2 345.414 3.621 20 0 EHADLO CO[C@H](Cc1ccccc1)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000584095268 1031727046 /nfs/dbraw/zinc/72/70/46/1031727046.db2.gz JKVROAGXQMRLKK-QGZVFWFLSA-N 1 2 348.406 3.547 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@@]2(C)c2ccccc2)c1C ZINC000448825633 1031730930 /nfs/dbraw/zinc/73/09/30/1031730930.db2.gz UWTJFRPZLGAWRM-UWJYYQICSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1sc(C(=O)Nc2cc(C)[nH+]cc2C)cc1Br ZINC000551897970 1031759769 /nfs/dbraw/zinc/75/97/69/1031759769.db2.gz CSUUGENLTOUPDU-UHFFFAOYSA-N 1 2 339.258 3.759 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117598657 1031760344 /nfs/dbraw/zinc/76/03/44/1031760344.db2.gz HYODBDSJVIRUBM-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000151624607 1031763347 /nfs/dbraw/zinc/76/33/47/1031763347.db2.gz CBEWDVHSKKSFKY-KRWDZBQOSA-N 1 2 343.515 3.893 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000477670619 1031772649 /nfs/dbraw/zinc/77/26/49/1031772649.db2.gz NSEASBYSTMUEKH-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000477670619 1031772659 /nfs/dbraw/zinc/77/26/59/1031772659.db2.gz NSEASBYSTMUEKH-OAHLLOKOSA-N 1 2 336.439 3.996 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117616937 1031781123 /nfs/dbraw/zinc/78/11/23/1031781123.db2.gz UEFRNAPYKFDTEC-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCSC[C@H]1c1ccccc1 ZINC000117673551 1031791120 /nfs/dbraw/zinc/79/11/20/1031791120.db2.gz IUHPPAQBJPABDK-IBGZPJMESA-N 1 2 349.459 3.803 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCO1 ZINC000179867523 1031815285 /nfs/dbraw/zinc/81/52/85/1031815285.db2.gz OEDBXBBQHDKQMV-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCO1 ZINC000179867523 1031815296 /nfs/dbraw/zinc/81/52/96/1031815296.db2.gz OEDBXBBQHDKQMV-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO CCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000159045050 1031830112 /nfs/dbraw/zinc/83/01/12/1031830112.db2.gz RVJGZPKHEHLBDJ-GUYCJALGSA-N 1 2 330.407 3.700 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1nnc2n1CCCCC2 ZINC000657831063 1031832709 /nfs/dbraw/zinc/83/27/09/1031832709.db2.gz RDQYDFIDWWERJY-VXGBXAGGSA-N 1 2 335.402 3.749 20 0 EHADLO Clc1ccccc1[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000180048263 1031833522 /nfs/dbraw/zinc/83/35/22/1031833522.db2.gz XCEFQLRTWCQPAR-QGZVFWFLSA-N 1 2 327.815 3.561 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCc2cccs2)c1C ZINC000537708631 1031845330 /nfs/dbraw/zinc/84/53/30/1031845330.db2.gz QFYJYMDTHHOQTJ-UHFFFAOYSA-N 1 2 347.484 3.543 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)oc1C ZINC000180429062 1031853789 /nfs/dbraw/zinc/85/37/89/1031853789.db2.gz ABNFBOWSMVQWSM-UHFFFAOYSA-N 1 2 333.863 3.571 20 0 EHADLO Cc1cnc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000180415412 1031853949 /nfs/dbraw/zinc/85/39/49/1031853949.db2.gz AYXWSFSRBCOCBM-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO Cc1cnc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000180415412 1031853962 /nfs/dbraw/zinc/85/39/62/1031853962.db2.gz AYXWSFSRBCOCBM-UHFFFAOYSA-N 1 2 335.904 3.813 20 0 EHADLO C[C@@H](CC(=O)N1CC2(CCCC2)c2c1cccc2F)n1cc[nH+]c1 ZINC000584175512 1031858454 /nfs/dbraw/zinc/85/84/54/1031858454.db2.gz BXCJZDLIWPVLBR-AWEZNQCLSA-N 1 2 327.403 3.832 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000448901511 1031861218 /nfs/dbraw/zinc/86/12/18/1031861218.db2.gz WBNJUMNDZKYZDF-CYBMUJFWSA-N 1 2 342.405 3.712 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)Oc2ccc3c(c2)CCC3)n1 ZINC000904257967 1031905384 /nfs/dbraw/zinc/90/53/84/1031905384.db2.gz HBWAPMIVZYQKFG-LBPRGKRZSA-N 1 2 336.395 3.651 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000904261001 1031905612 /nfs/dbraw/zinc/90/56/12/1031905612.db2.gz WERCGZZKHKFNGZ-HNNXBMFYSA-N 1 2 336.395 3.583 20 0 EHADLO C=Cn1cc(CNc2[nH+]c3cc(Br)ccc3n2CC)cn1 ZINC000195010120 1031956470 /nfs/dbraw/zinc/95/64/70/1031956470.db2.gz MANRPAIFHLTSJK-UHFFFAOYSA-N 1 2 346.232 3.728 20 0 EHADLO CC[N@H+](Cc1nnc(C2CCC2)n1C)[C@H](C)c1cccc(OC)c1 ZINC000181136311 1031985401 /nfs/dbraw/zinc/98/54/01/1031985401.db2.gz RLHRKNFDCCAHJJ-CQSZACIVSA-N 1 2 328.460 3.674 20 0 EHADLO CC[N@@H+](Cc1nnc(C2CCC2)n1C)[C@H](C)c1cccc(OC)c1 ZINC000181136311 1031985413 /nfs/dbraw/zinc/98/54/13/1031985413.db2.gz RLHRKNFDCCAHJJ-CQSZACIVSA-N 1 2 328.460 3.674 20 0 EHADLO CC[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCC(C)CC1 ZINC000347492450 1031997387 /nfs/dbraw/zinc/99/73/87/1031997387.db2.gz VLKIDZABRPNFBH-HIEASXQVSA-N 1 2 331.504 3.979 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)[C@@H](C)c2cccs2)o1 ZINC000159314618 1032009377 /nfs/dbraw/zinc/00/93/77/1032009377.db2.gz SZANOPXHWOJCPJ-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)[C@@H](C)c2cccs2)o1 ZINC000159314618 1032009393 /nfs/dbraw/zinc/00/93/93/1032009393.db2.gz SZANOPXHWOJCPJ-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO CO[C@@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000484831319 1032009591 /nfs/dbraw/zinc/00/95/91/1032009591.db2.gz SIEAHQSMWQABOB-LLVKDONJSA-N 1 2 326.318 3.667 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000181664458 1032017749 /nfs/dbraw/zinc/01/77/49/1032017749.db2.gz IROPGLZKTSQLGP-KRWDZBQOSA-N 1 2 326.371 3.958 20 0 EHADLO Cc1ncc2c(n1)CCC[C@@H]2Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000842028400 1033341773 /nfs/dbraw/zinc/34/17/73/1033341773.db2.gz OBHQOQDMYCYHLK-HNNXBMFYSA-N 1 2 348.385 3.838 20 0 EHADLO COc1ccccc1[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000594503738 1033403943 /nfs/dbraw/zinc/40/39/43/1033403943.db2.gz AUOKMJZYPQXCQC-NRFANRHFSA-N 1 2 349.434 3.578 20 0 EHADLO Cc1cccc2c1CCCN2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635568752 1033422381 /nfs/dbraw/zinc/42/23/81/1033422381.db2.gz KPGGBHKDNVDUES-HNNXBMFYSA-N 1 2 337.345 3.664 20 0 EHADLO O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000608133567 1033513251 /nfs/dbraw/zinc/51/32/51/1033513251.db2.gz PPZJEWVQXYSJES-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC000120273114 1033553268 /nfs/dbraw/zinc/55/32/68/1033553268.db2.gz SEWVZLZAUFWDGG-IAGOWNOFSA-N 1 2 331.504 3.808 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1SCCc2ccccc21 ZINC000173867234 1033564696 /nfs/dbraw/zinc/56/46/96/1033564696.db2.gz HWDLIZDCNGGDOA-IBGZPJMESA-N 1 2 349.459 3.519 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000529208272 1033602480 /nfs/dbraw/zinc/60/24/80/1033602480.db2.gz QDEOKXNIKFWODR-OAHLLOKOSA-N 1 2 341.455 3.712 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000685598481 1033608185 /nfs/dbraw/zinc/60/81/85/1033608185.db2.gz WGPDVDXZZZRWHI-UHFFFAOYSA-N 1 2 347.462 3.831 20 0 EHADLO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313700 1033614180 /nfs/dbraw/zinc/61/41/80/1033614180.db2.gz JAWQZTFDZJEPNX-QGZVFWFLSA-N 1 2 340.402 3.862 20 0 EHADLO O=C([O-])c1ccc[nH+]c1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000608358198 1033633154 /nfs/dbraw/zinc/63/31/54/1033633154.db2.gz BTWNOXADLPIRKU-UHFFFAOYSA-N 1 2 345.830 3.510 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608390742 1033671008 /nfs/dbraw/zinc/67/10/08/1033671008.db2.gz GANKUZGRHHRPFX-KBAYOESNSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@H]4C[C@H]43)n2)cc1C ZINC000761098317 1033707235 /nfs/dbraw/zinc/70/72/35/1033707235.db2.gz WEQRJRKYUGDWDV-WMLDXEAASA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@H]4C[C@H]43)n2)cc1C ZINC000761098317 1033707251 /nfs/dbraw/zinc/70/72/51/1033707251.db2.gz WEQRJRKYUGDWDV-WMLDXEAASA-N 1 2 341.480 3.768 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000595295657 1033721759 /nfs/dbraw/zinc/72/17/59/1033721759.db2.gz OAFFNMIXLYEECJ-ZDUSSCGKSA-N 1 2 333.407 3.617 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000595295657 1033721770 /nfs/dbraw/zinc/72/17/70/1033721770.db2.gz OAFFNMIXLYEECJ-ZDUSSCGKSA-N 1 2 333.407 3.617 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[C@@H]1C1CC1)C2 ZINC000574971039 1033745415 /nfs/dbraw/zinc/74/54/15/1033745415.db2.gz AINUOLFCQXYVLN-BZUAXINKSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[C@@H]1C1CC1)CC2 ZINC000574971039 1033745425 /nfs/dbraw/zinc/74/54/25/1033745425.db2.gz AINUOLFCQXYVLN-BZUAXINKSA-N 1 2 329.488 3.581 20 0 EHADLO C[C@H](CC(=O)N(CCc1ccc(F)cc1)C1CCCC1)n1cc[nH+]c1 ZINC000574992382 1033754820 /nfs/dbraw/zinc/75/48/20/1033754820.db2.gz HDVDZGVONOAULT-MRXNPFEDSA-N 1 2 343.446 3.987 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000450115857 1033767010 /nfs/dbraw/zinc/76/70/10/1033767010.db2.gz QADZBZDQUMEFBO-MDNKFWRPSA-N 1 2 337.467 3.877 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599135738 1033768596 /nfs/dbraw/zinc/76/85/96/1033768596.db2.gz WZEONYZLYMMMQS-KGLIPLIRSA-N 1 2 342.464 3.886 20 0 EHADLO CC(C)CC(CC(C)C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000450148038 1033810768 /nfs/dbraw/zinc/81/07/68/1033810768.db2.gz YQSKOEMYQPGRFB-KRWDZBQOSA-N 1 2 333.520 3.910 20 0 EHADLO CC(C)([NH2+]Cc1nc(C2CC2)no1)c1cccc(C(F)(F)F)c1 ZINC000057846977 1033823138 /nfs/dbraw/zinc/82/31/38/1033823138.db2.gz BZCOTGIBPKTPCY-UHFFFAOYSA-N 1 2 325.334 3.991 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000608716565 1033851397 /nfs/dbraw/zinc/85/13/97/1033851397.db2.gz WDGDQZJSRVPVJO-ROUUACIJSA-N 1 2 338.455 3.840 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cs1 ZINC000174288635 1033880325 /nfs/dbraw/zinc/88/03/25/1033880325.db2.gz GAFMVSNQFWGBIG-CQSZACIVSA-N 1 2 339.505 3.537 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cs1 ZINC000174288635 1033880348 /nfs/dbraw/zinc/88/03/48/1033880348.db2.gz GAFMVSNQFWGBIG-CQSZACIVSA-N 1 2 339.505 3.537 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000669698325 1033933228 /nfs/dbraw/zinc/93/32/28/1033933228.db2.gz CITVREUVFNXPJH-LJQANCHMSA-N 1 2 338.386 3.511 20 0 EHADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000669698325 1033933243 /nfs/dbraw/zinc/93/32/43/1033933243.db2.gz CITVREUVFNXPJH-LJQANCHMSA-N 1 2 338.386 3.511 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCc1ccsc1 ZINC000595671718 1033944619 /nfs/dbraw/zinc/94/46/19/1033944619.db2.gz BPXKDWACSMZNLY-QGZVFWFLSA-N 1 2 333.453 3.535 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCc1ccsc1 ZINC000595671718 1033944631 /nfs/dbraw/zinc/94/46/31/1033944631.db2.gz BPXKDWACSMZNLY-QGZVFWFLSA-N 1 2 333.453 3.535 20 0 EHADLO O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000595685814 1033947580 /nfs/dbraw/zinc/94/75/80/1033947580.db2.gz VWJCVVSUZSWKJX-SFTDATJTSA-N 1 2 344.414 3.628 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-c2ccoc2)c1 ZINC000761128466 1033949435 /nfs/dbraw/zinc/94/94/35/1033949435.db2.gz BSKQIARXZAPLOI-SFHVURJKSA-N 1 2 337.423 3.988 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761400 1033967593 /nfs/dbraw/zinc/96/75/93/1033967593.db2.gz VOUIHYGVJHBUFM-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761400 1033967606 /nfs/dbraw/zinc/96/76/06/1033967606.db2.gz VOUIHYGVJHBUFM-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO O=C(CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000450254431 1033970838 /nfs/dbraw/zinc/97/08/38/1033970838.db2.gz IOYFMOPHABVNKU-HXUWFJFHSA-N 1 2 327.399 3.862 20 0 EHADLO O=C(CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000450254431 1033970851 /nfs/dbraw/zinc/97/08/51/1033970851.db2.gz IOYFMOPHABVNKU-HXUWFJFHSA-N 1 2 327.399 3.862 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(Cl)cc1 ZINC000658119032 1033973460 /nfs/dbraw/zinc/97/34/60/1033973460.db2.gz LZKGKALSRQXNEC-MRXNPFEDSA-N 1 2 335.831 3.835 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[C@H]1C(F)(F)F ZINC000450257709 1033975472 /nfs/dbraw/zinc/97/54/72/1033975472.db2.gz XDXJFJYTTZQXIL-TZMCWYRMSA-N 1 2 347.340 3.739 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000603881749 1034004168 /nfs/dbraw/zinc/00/41/68/1034004168.db2.gz HWJUMYXKZJGMSN-UHFFFAOYSA-N 1 2 329.787 3.785 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885091 1034008427 /nfs/dbraw/zinc/00/84/27/1034008427.db2.gz PUUSANFIRXLOAR-PVAVHDDUSA-N 1 2 329.444 3.750 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nccc(OC)c2F)C(C)C)c(F)c1 ZINC000658222103 1034077812 /nfs/dbraw/zinc/07/78/12/1034077812.db2.gz GTBYJQJQCDLRQC-SFHVURJKSA-N 1 2 336.382 3.864 20 0 EHADLO CCc1ccc(C2CC[NH+](Cc3nc(C(=O)OC)cs3)CC2)cc1 ZINC000599670709 1034077963 /nfs/dbraw/zinc/07/79/63/1034077963.db2.gz YZKWBPOEPXZIIT-UHFFFAOYSA-N 1 2 344.480 3.872 20 0 EHADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCOC2=O)cc1 ZINC000179285869 1034088266 /nfs/dbraw/zinc/08/82/66/1034088266.db2.gz DWMFSARKBYMNFU-CYBMUJFWSA-N 1 2 336.395 3.703 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cc2ccccc2o1 ZINC000658231802 1034091973 /nfs/dbraw/zinc/09/19/73/1034091973.db2.gz GNPFMRMVZLUDIV-INIZCTEOSA-N 1 2 343.452 3.865 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000450313836 1034097779 /nfs/dbraw/zinc/09/77/79/1034097779.db2.gz MCNIPEGTXQBYEM-ZIAGYGMSSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000450313836 1034097794 /nfs/dbraw/zinc/09/77/94/1034097794.db2.gz MCNIPEGTXQBYEM-ZIAGYGMSSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000450313834 1034098120 /nfs/dbraw/zinc/09/81/20/1034098120.db2.gz MCNIPEGTXQBYEM-UONOGXRCSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000450313834 1034098132 /nfs/dbraw/zinc/09/81/32/1034098132.db2.gz MCNIPEGTXQBYEM-UONOGXRCSA-N 1 2 346.368 3.508 20 0 EHADLO CC[C@H]1c2ccccc2CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000603985033 1034100355 /nfs/dbraw/zinc/10/03/55/1034100355.db2.gz UFFJJBPUOLJWSM-NRFANRHFSA-N 1 2 349.478 3.721 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc(C3CCCC3)n2)[C@H](C)C1 ZINC000599687633 1034116176 /nfs/dbraw/zinc/11/61/76/1034116176.db2.gz DQVQAQYGMOMXFQ-CHWSQXEVSA-N 1 2 336.501 3.963 20 0 EHADLO CCC(CC)[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cccs1 ZINC000057267479 1034134108 /nfs/dbraw/zinc/13/41/08/1034134108.db2.gz AVBZYSNDNGPYBC-INIZCTEOSA-N 1 2 334.489 3.811 20 0 EHADLO CCCc1nc(C)c(COc2cc(C)[nH+]c(CCC)c2C(=O)OC)o1 ZINC000596281515 1034142082 /nfs/dbraw/zinc/14/20/82/1034142082.db2.gz LZFJVUBJFHORAH-UHFFFAOYSA-N 1 2 346.427 3.957 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)n2c1 ZINC000537615872 1034157486 /nfs/dbraw/zinc/15/74/86/1034157486.db2.gz FHVFBGGJWJTUGC-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)n2c1 ZINC000537615872 1034157494 /nfs/dbraw/zinc/15/74/94/1034157494.db2.gz FHVFBGGJWJTUGC-FXAWDEMLSA-N 1 2 335.451 3.913 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1(C)C ZINC000604033999 1034162781 /nfs/dbraw/zinc/16/27/81/1034162781.db2.gz BYSVBQMHBUXEGA-UHOSZYNNSA-N 1 2 341.499 3.525 20 0 EHADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1coc(-c2ccc(C)cc2)n1 ZINC000169276046 1034227000 /nfs/dbraw/zinc/22/70/00/1034227000.db2.gz ZJEIXKOSFQVILJ-UHFFFAOYSA-N 1 2 338.455 3.798 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4F)C3)no2)c1 ZINC000450388307 1034247187 /nfs/dbraw/zinc/24/71/87/1034247187.db2.gz IXVXLOXHQAUQRE-AWEZNQCLSA-N 1 2 338.386 3.569 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4F)C3)no2)c1 ZINC000450388307 1034247198 /nfs/dbraw/zinc/24/71/98/1034247198.db2.gz IXVXLOXHQAUQRE-AWEZNQCLSA-N 1 2 338.386 3.569 20 0 EHADLO CC(C)(C)c1ncc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000119901550 1034269411 /nfs/dbraw/zinc/26/94/11/1034269411.db2.gz UYRYEFRPIMFJAY-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO Cc1ccc(F)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1 ZINC000171253261 1034277697 /nfs/dbraw/zinc/27/76/97/1034277697.db2.gz VDRRAQOLMXVHQG-UHFFFAOYSA-N 1 2 331.387 3.644 20 0 EHADLO O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861935 1034286927 /nfs/dbraw/zinc/28/69/27/1034286927.db2.gz XZMPXMUUGSGNQV-IRXDYDNUSA-N 1 2 329.831 3.504 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000121777748 1034294206 /nfs/dbraw/zinc/29/42/06/1034294206.db2.gz HEPXOVHOKZZBAV-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000121777748 1034294221 /nfs/dbraw/zinc/29/42/21/1034294221.db2.gz HEPXOVHOKZZBAV-XJKSGUPXSA-N 1 2 349.862 3.876 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)cs1 ZINC000450444008 1034311852 /nfs/dbraw/zinc/31/18/52/1034311852.db2.gz XSIBGYLLPKYUSD-RKVPGOIHSA-N 1 2 348.512 3.837 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)cs1 ZINC000450444008 1034311868 /nfs/dbraw/zinc/31/18/68/1034311868.db2.gz XSIBGYLLPKYUSD-RKVPGOIHSA-N 1 2 348.512 3.837 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443327 1034338115 /nfs/dbraw/zinc/33/81/15/1034338115.db2.gz VCRGXMMBHOMAFK-LSDHHAIUSA-N 1 2 335.517 3.975 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443327 1034338126 /nfs/dbraw/zinc/33/81/26/1034338126.db2.gz VCRGXMMBHOMAFK-LSDHHAIUSA-N 1 2 335.517 3.975 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121062298 1034366154 /nfs/dbraw/zinc/36/61/54/1034366154.db2.gz XPJNVTOCZBZKFK-GOSISDBHSA-N 1 2 342.464 3.628 20 0 EHADLO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000428761768 1034380865 /nfs/dbraw/zinc/38/08/65/1034380865.db2.gz VUVHUZGUTBJTTL-GFCCVEGCSA-N 1 2 342.842 3.697 20 0 EHADLO O[C@@H]1CC[C@@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450477122 1034396571 /nfs/dbraw/zinc/39/65/71/1034396571.db2.gz UZYNEOGEOUKCFS-NXEZZACHSA-N 1 2 339.208 3.709 20 0 EHADLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccc(C)cc1 ZINC000604491880 1034398506 /nfs/dbraw/zinc/39/85/06/1034398506.db2.gz RBWQXWFQFODHLF-UHFFFAOYSA-N 1 2 346.496 3.968 20 0 EHADLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)Cc1ccc(C)cc1 ZINC000604491880 1034398522 /nfs/dbraw/zinc/39/85/22/1034398522.db2.gz RBWQXWFQFODHLF-UHFFFAOYSA-N 1 2 346.496 3.968 20 0 EHADLO Cc1[nH]c(CN2CCc3c(Br)cc(C)cc3C2)[nH+]c1C ZINC000628241507 1034424365 /nfs/dbraw/zinc/42/43/65/1034424365.db2.gz YTXBQCPRLZIWSI-UHFFFAOYSA-N 1 2 334.261 3.656 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604594809 1034434081 /nfs/dbraw/zinc/43/40/81/1034434081.db2.gz PBCDQZGGLTVMNO-KRWDZBQOSA-N 1 2 344.503 3.662 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2cnccc2Oc2ccccc2)c1 ZINC000669716960 1034438673 /nfs/dbraw/zinc/43/86/73/1034438673.db2.gz FRPCAFAOAFSDEQ-UHFFFAOYSA-N 1 2 334.379 3.587 20 0 EHADLO FC(F)(F)COc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121121614 1034461528 /nfs/dbraw/zinc/46/15/28/1034461528.db2.gz UPZXNUXFCOMHGE-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121121614 1034461539 /nfs/dbraw/zinc/46/15/39/1034461539.db2.gz UPZXNUXFCOMHGE-MRXNPFEDSA-N 1 2 341.329 3.794 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000604733625 1034479301 /nfs/dbraw/zinc/47/93/01/1034479301.db2.gz NFWRXBHOGCUXGR-MRXNPFEDSA-N 1 2 349.887 3.633 20 0 EHADLO C[C@@H](O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547984 1034504968 /nfs/dbraw/zinc/50/49/68/1034504968.db2.gz GBDLDROPQXHMQZ-IAQYHMDHSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000450547984 1034504977 /nfs/dbraw/zinc/50/49/77/1034504977.db2.gz GBDLDROPQXHMQZ-IAQYHMDHSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@@]3(C)CCCc4ccccc43)no2)c1 ZINC000450568318 1034534030 /nfs/dbraw/zinc/53/40/30/1034534030.db2.gz ZXRRVPWPBWUTDK-FQEVSTJZSA-N 1 2 334.423 3.781 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(C)CC1 ZINC000023752101 1034534648 /nfs/dbraw/zinc/53/46/48/1034534648.db2.gz UMYIBYFYSZFFGX-STQMWFEESA-N 1 2 345.512 3.902 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000431631525 1034536922 /nfs/dbraw/zinc/53/69/22/1034536922.db2.gz DHRHDRSDXANHRD-UHFFFAOYSA-N 1 2 335.392 3.781 20 0 EHADLO Clc1ccc(SC2CC[NH+](Cc3cnns3)CC2)cc1 ZINC000450599111 1034552059 /nfs/dbraw/zinc/55/20/59/1034552059.db2.gz KRKGRDVFSAAQFH-UHFFFAOYSA-N 1 2 325.890 3.948 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccnc(Cl)c1 ZINC000171683141 1034558260 /nfs/dbraw/zinc/55/82/60/1034558260.db2.gz QBXIFBUYWACEMC-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccnc(Cl)c1 ZINC000171683141 1034558268 /nfs/dbraw/zinc/55/82/68/1034558268.db2.gz QBXIFBUYWACEMC-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000450629065 1034582220 /nfs/dbraw/zinc/58/22/20/1034582220.db2.gz NXMBHKNJPUPTCL-NRFANRHFSA-N 1 2 332.451 3.858 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000450629065 1034582224 /nfs/dbraw/zinc/58/22/24/1034582224.db2.gz NXMBHKNJPUPTCL-NRFANRHFSA-N 1 2 332.451 3.858 20 0 EHADLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)cc1Cl ZINC000007791685 1034611298 /nfs/dbraw/zinc/61/12/98/1034611298.db2.gz MLNUZLGRZCGQPI-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)cc1Cl ZINC000007791685 1034611309 /nfs/dbraw/zinc/61/13/09/1034611309.db2.gz MLNUZLGRZCGQPI-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)[C@@H]1C ZINC000605155565 1034653515 /nfs/dbraw/zinc/65/35/15/1034653515.db2.gz UXAKELFZCVNYIT-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)[C@@H]1C ZINC000605155565 1034653520 /nfs/dbraw/zinc/65/35/20/1034653520.db2.gz UXAKELFZCVNYIT-ZAWLATJESA-N 1 2 346.540 3.717 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)cc2c1 ZINC000668768081 1034689649 /nfs/dbraw/zinc/68/96/49/1034689649.db2.gz NBSKIEBYXSEPEK-NHYWBVRUSA-N 1 2 343.345 3.983 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)cc2c1 ZINC000668768081 1034689655 /nfs/dbraw/zinc/68/96/55/1034689655.db2.gz NBSKIEBYXSEPEK-NHYWBVRUSA-N 1 2 343.345 3.983 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccnc(Oc2ccccc2)c1 ZINC000605392735 1034727227 /nfs/dbraw/zinc/72/72/27/1034727227.db2.gz YLHKTPFVZYESFQ-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCOc2ccc(F)cc2Cl)c[nH+]1 ZINC000456860960 1034792353 /nfs/dbraw/zinc/79/23/53/1034792353.db2.gz OJFPJGDQBHCIQR-UHFFFAOYSA-N 1 2 336.794 3.576 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000529939523 1034796708 /nfs/dbraw/zinc/79/67/08/1034796708.db2.gz VYIOXZFLSKWKJW-CQSZACIVSA-N 1 2 343.858 3.866 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000529939523 1034796720 /nfs/dbraw/zinc/79/67/20/1034796720.db2.gz VYIOXZFLSKWKJW-CQSZACIVSA-N 1 2 343.858 3.866 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2ccc(C(C)(C)C)cc2)c[nH+]1 ZINC000456866143 1034800770 /nfs/dbraw/zinc/80/07/70/1034800770.db2.gz UHPWUZNJTCORGB-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000601905325 1034810311 /nfs/dbraw/zinc/81/03/11/1034810311.db2.gz PFIXJLHJOIMROE-MJGOQNOKSA-N 1 2 340.471 3.935 20 0 EHADLO CSc1ccc(O[C@H](C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456855210 1034812293 /nfs/dbraw/zinc/81/22/93/1034812293.db2.gz ZKGLWSBSPUBDNV-CQSZACIVSA-N 1 2 330.453 3.504 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@H](CC(F)(F)F)C(C)C)no2)c1 ZINC000450827387 1034834609 /nfs/dbraw/zinc/83/46/09/1034834609.db2.gz JXAAUQDPKDNLKY-GFCCVEGCSA-N 1 2 328.338 3.507 20 0 EHADLO Cc1ccnc(-c2noc(C[N@@H+](C)Cc3ccc(F)c(C)c3)n2)c1 ZINC000450859009 1034874849 /nfs/dbraw/zinc/87/48/49/1034874849.db2.gz LXKVDJQONUKJGW-UHFFFAOYSA-N 1 2 326.375 3.520 20 0 EHADLO Cc1ccnc(-c2noc(C[N@H+](C)Cc3ccc(F)c(C)c3)n2)c1 ZINC000450859009 1034874856 /nfs/dbraw/zinc/87/48/56/1034874856.db2.gz LXKVDJQONUKJGW-UHFFFAOYSA-N 1 2 326.375 3.520 20 0 EHADLO Oc1cc(F)cc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000278795011 1034884350 /nfs/dbraw/zinc/88/43/50/1034884350.db2.gz XCFGGCANVWUUAH-NSHDSACASA-N 1 2 343.324 3.653 20 0 EHADLO Oc1cc(F)cc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000278795011 1034884357 /nfs/dbraw/zinc/88/43/57/1034884357.db2.gz XCFGGCANVWUUAH-NSHDSACASA-N 1 2 343.324 3.653 20 0 EHADLO COC(=O)CC[N@H+](Cc1ncc(C(C)C)s1)Cc1ccccc1 ZINC000612397657 1034885799 /nfs/dbraw/zinc/88/57/99/1034885799.db2.gz AZSINPXSKAVEMJ-UHFFFAOYSA-N 1 2 332.469 3.832 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ncc(C(C)C)s1)Cc1ccccc1 ZINC000612397657 1034885810 /nfs/dbraw/zinc/88/58/10/1034885810.db2.gz AZSINPXSKAVEMJ-UHFFFAOYSA-N 1 2 332.469 3.832 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450868553 1034886296 /nfs/dbraw/zinc/88/62/96/1034886296.db2.gz MQJAWAMQIANIMN-INIZCTEOSA-N 1 2 338.377 3.780 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)cc1F ZINC000548929617 1034911421 /nfs/dbraw/zinc/91/14/21/1034911421.db2.gz CBTIRGIMRXQSBW-UHFFFAOYSA-N 1 2 328.387 3.845 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC(C)=C(c3ccco3)C2)cc1F ZINC000548929617 1034911425 /nfs/dbraw/zinc/91/14/25/1034911425.db2.gz CBTIRGIMRXQSBW-UHFFFAOYSA-N 1 2 328.387 3.845 20 0 EHADLO Cc1cccc(-c2nsc(N3CCC(c4c[nH]c[nH+]4)CC3)n2)c1 ZINC000631155672 1034926534 /nfs/dbraw/zinc/92/65/34/1034926534.db2.gz QTVSCMWSONUZSG-UHFFFAOYSA-N 1 2 325.441 3.621 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000612434505 1034930443 /nfs/dbraw/zinc/93/04/43/1034930443.db2.gz RGNVWPGTRILKKI-HZPDHXFCSA-N 1 2 331.847 3.866 20 0 EHADLO Cc1ccnc(-c2noc(C[NH+]3CCC(CC(F)(F)F)CC3)n2)c1 ZINC000450934215 1034938525 /nfs/dbraw/zinc/93/85/25/1034938525.db2.gz WIOBJVPSOSMRRZ-UHFFFAOYSA-N 1 2 340.349 3.604 20 0 EHADLO c1ccc(-c2noc([C@H]([NH2+]CC34CC(C3)CO4)c3ccccc3)n2)cc1 ZINC000530134661 1035010665 /nfs/dbraw/zinc/01/06/65/1035010665.db2.gz KXBUHSSGWAOKIO-BPVAQJAMSA-N 1 2 347.418 3.595 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2csc(-c3ccc(C)o3)n2)cc1 ZINC000065947855 1035011548 /nfs/dbraw/zinc/01/15/48/1035011548.db2.gz FZOJYDMNBPJKIT-UHFFFAOYSA-N 1 2 343.408 3.557 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1(C)C ZINC000612552969 1035055554 /nfs/dbraw/zinc/05/55/54/1035055554.db2.gz POWYDLGIGQWGJR-HKUYNNGSSA-N 1 2 341.499 3.927 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000570311699 1035189429 /nfs/dbraw/zinc/18/94/29/1035189429.db2.gz UUXSTJZJCRKANE-YRGRVCCFSA-N 1 2 329.831 3.545 20 0 EHADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)cnc1N1CCCC[C@@H]1C ZINC000570454210 1035270779 /nfs/dbraw/zinc/27/07/79/1035270779.db2.gz BGGPGHWIOIVNPU-HOTGVXAUSA-N 1 2 341.459 3.555 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177634699 1035287699 /nfs/dbraw/zinc/28/76/99/1035287699.db2.gz VRJKUSAESQSEKP-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177634699 1035287702 /nfs/dbraw/zinc/28/77/02/1035287702.db2.gz VRJKUSAESQSEKP-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001625884518 1035360586 /nfs/dbraw/zinc/36/05/86/1035360586.db2.gz PRBCHXZGGRWANV-NSHDSACASA-N 1 2 339.222 3.833 20 0 EHADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000685834597 1035369567 /nfs/dbraw/zinc/36/95/67/1035369567.db2.gz HNXSXIDGDQZMIN-UHFFFAOYSA-N 1 2 341.377 3.908 20 0 EHADLO Cc1cn[nH]c1C[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000685834597 1035369569 /nfs/dbraw/zinc/36/95/69/1035369569.db2.gz HNXSXIDGDQZMIN-UHFFFAOYSA-N 1 2 341.377 3.908 20 0 EHADLO Cc1ccc(Br)c(O[C@@H]2CC[NH2+]CC2(F)F)c1Cl ZINC001218012270 1035378072 /nfs/dbraw/zinc/37/80/72/1035378072.db2.gz NIVBITJRAJNLCH-SECBINFHSA-N 1 2 340.595 3.787 20 0 EHADLO COc1cccc(C2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC2)c1 ZINC000636239955 1035382391 /nfs/dbraw/zinc/38/23/91/1035382391.db2.gz ZSFLIZDICUICCJ-GOSISDBHSA-N 1 2 341.455 3.675 20 0 EHADLO Fc1cccc(COc2ccc(CN3CCn4c[nH+]cc4C3)cc2)c1 ZINC000685850130 1035416358 /nfs/dbraw/zinc/41/63/58/1035416358.db2.gz OIEVIFQRNHVYGU-UHFFFAOYSA-N 1 2 337.398 3.617 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000613137385 1035417755 /nfs/dbraw/zinc/41/77/55/1035417755.db2.gz AOIYPBGUNZZQJT-FHLIZLRMSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000613137385 1035417759 /nfs/dbraw/zinc/41/77/59/1035417759.db2.gz AOIYPBGUNZZQJT-FHLIZLRMSA-N 1 2 348.437 3.797 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc2ccccc2[nH]c1=O ZINC000185845796 1035546571 /nfs/dbraw/zinc/54/65/71/1035546571.db2.gz MCPWUCMMRHPLPJ-UHFFFAOYSA-N 1 2 348.406 3.549 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc[nH+]1 ZINC000173688668 1035573853 /nfs/dbraw/zinc/57/38/53/1035573853.db2.gz ZRUZTYUZBKDLDG-LLVKDONJSA-N 1 2 335.201 3.559 20 0 EHADLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1cnn(C(C)(C)C)c1 ZINC000463529096 1035587564 /nfs/dbraw/zinc/58/75/64/1035587564.db2.gz UCBPLEIGIDFZKU-UHFFFAOYSA-N 1 2 331.851 3.695 20 0 EHADLO Cc1nc(NCc2cccc(-c3cccnc3)c2)c2c([nH+]1)CCCC2 ZINC000463573794 1035658550 /nfs/dbraw/zinc/65/85/50/1035658550.db2.gz GQVTZYIBXKCPMA-UHFFFAOYSA-N 1 2 330.435 3.760 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000186633346 1035676808 /nfs/dbraw/zinc/67/68/08/1035676808.db2.gz PRYRGMBWCLNYBT-XIKOKIGWSA-N 1 2 328.366 3.534 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000457085227 1035696969 /nfs/dbraw/zinc/69/69/69/1035696969.db2.gz OICQXAQLDSBGPW-YQQAZPJKSA-N 1 2 343.858 3.551 20 0 EHADLO CCC[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000913908322 1035750538 /nfs/dbraw/zinc/75/05/38/1035750538.db2.gz UNHLLKFPSRDVMW-MRXNPFEDSA-N 1 2 346.500 3.545 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[S@@](=O)Cc2ccc(C)[nH+]c2C)s1 ZINC000187179554 1035780346 /nfs/dbraw/zinc/78/03/46/1035780346.db2.gz MDXIEPASEQWNSL-QFIPXVFZSA-N 1 2 348.415 3.931 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1Br ZINC000414149492 1035785072 /nfs/dbraw/zinc/78/50/72/1035785072.db2.gz XPTOSDMZBDKWID-LBPRGKRZSA-N 1 2 334.261 3.751 20 0 EHADLO O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045057864 1035787299 /nfs/dbraw/zinc/78/72/99/1035787299.db2.gz QBOFPLNEPZLOCL-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)C(C)C)Cc1ccoc1 ZINC000588169032 1035796534 /nfs/dbraw/zinc/79/65/34/1035796534.db2.gz OLRYXYITXVOTPG-LJQANCHMSA-N 1 2 328.456 3.658 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)C(C)C)Cc1ccoc1 ZINC000588169032 1035796555 /nfs/dbraw/zinc/79/65/55/1035796555.db2.gz OLRYXYITXVOTPG-LJQANCHMSA-N 1 2 328.456 3.658 20 0 EHADLO CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccccn1 ZINC000187342151 1035797300 /nfs/dbraw/zinc/79/73/00/1035797300.db2.gz OEIABIMBNAMUKY-UHFFFAOYSA-N 1 2 325.441 3.664 20 0 EHADLO Cc1[nH]c2c(cc(C)cc2CNC(=O)Nc2cc(C)[nH+]cc2C)c1C ZINC000535061687 1035943070 /nfs/dbraw/zinc/94/30/70/1035943070.db2.gz BOEZXRCWPMHXPT-UHFFFAOYSA-N 1 2 336.439 3.849 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188522653 1035949114 /nfs/dbraw/zinc/94/91/14/1035949114.db2.gz AJXQJGWFHCMFBZ-OAQYLSRUSA-N 1 2 345.402 3.994 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188522653 1035949119 /nfs/dbraw/zinc/94/91/19/1035949119.db2.gz AJXQJGWFHCMFBZ-OAQYLSRUSA-N 1 2 345.402 3.994 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3cccs3)co2)cc1 ZINC000541071573 1035952693 /nfs/dbraw/zinc/95/26/93/1035952693.db2.gz FALZXHMYJWUFOD-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3cccs3)co2)cc1 ZINC000541071573 1035952700 /nfs/dbraw/zinc/95/27/00/1035952700.db2.gz FALZXHMYJWUFOD-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COc1ccnc2c(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cccc12 ZINC000535057019 1035966239 /nfs/dbraw/zinc/96/62/39/1035966239.db2.gz SQTZURCFGOTSDY-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCc1cc(N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nc(C)[nH+]1 ZINC000541090947 1035974131 /nfs/dbraw/zinc/97/41/31/1035974131.db2.gz RDNVQHXYONFQKG-KXBFYZLASA-N 1 2 325.456 3.931 20 0 EHADLO CCOC(=O)C[N@H+](CC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000535078828 1036002126 /nfs/dbraw/zinc/00/21/26/1036002126.db2.gz DXCXBKVZFWPSPM-UHFFFAOYSA-N 1 2 328.412 3.567 20 0 EHADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000535078828 1036002154 /nfs/dbraw/zinc/00/21/54/1036002154.db2.gz DXCXBKVZFWPSPM-UHFFFAOYSA-N 1 2 328.412 3.567 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000613484133 1036037253 /nfs/dbraw/zinc/03/72/53/1036037253.db2.gz KRLZVPYXDNZCJF-IEBWSBKVSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000613484133 1036037272 /nfs/dbraw/zinc/03/72/72/1036037272.db2.gz KRLZVPYXDNZCJF-IEBWSBKVSA-N 1 2 344.499 3.698 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1C ZINC000541178433 1036063152 /nfs/dbraw/zinc/06/31/52/1036063152.db2.gz FFHAKZQKPZQISM-ZIFCJYIRSA-N 1 2 346.519 3.910 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1)NCC(F)(F)F ZINC000541201669 1036072262 /nfs/dbraw/zinc/07/22/62/1036072262.db2.gz UGCZQCQKXGBRMI-SBDDDAINSA-N 1 2 346.418 3.684 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1)NCC(F)(F)F ZINC000541201669 1036072282 /nfs/dbraw/zinc/07/22/82/1036072282.db2.gz UGCZQCQKXGBRMI-SBDDDAINSA-N 1 2 346.418 3.684 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000541204209 1036077673 /nfs/dbraw/zinc/07/76/73/1036077673.db2.gz GBTFYPNWHQJUCP-WFASDCNBSA-N 1 2 327.346 3.651 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@H+]1CC[C@H](C2CC2)C1 ZINC000541204209 1036077694 /nfs/dbraw/zinc/07/76/94/1036077694.db2.gz GBTFYPNWHQJUCP-WFASDCNBSA-N 1 2 327.346 3.651 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cc4nc(C5CC5)no4)CC3)oc21 ZINC000189808099 1036147407 /nfs/dbraw/zinc/14/74/07/1036147407.db2.gz PSOCZPMWSZMJEZ-UHFFFAOYSA-N 1 2 338.411 3.776 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000174880644 1036150135 /nfs/dbraw/zinc/15/01/35/1036150135.db2.gz GXLICENMNTYVNL-IRXDYDNUSA-N 1 2 340.471 3.765 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cccc(C(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170635856 1036179435 /nfs/dbraw/zinc/17/94/35/1036179435.db2.gz UERKXOFIUZFHJW-ZENOOKHLSA-N 1 2 340.414 3.697 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cccc(C(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170635856 1036179450 /nfs/dbraw/zinc/17/94/50/1036179450.db2.gz UERKXOFIUZFHJW-ZENOOKHLSA-N 1 2 340.414 3.697 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000175007066 1036200073 /nfs/dbraw/zinc/20/00/73/1036200073.db2.gz ONHSKPPIOZIXHR-LJQANCHMSA-N 1 2 341.418 3.515 20 0 EHADLO COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000376350269 1036229379 /nfs/dbraw/zinc/22/93/79/1036229379.db2.gz LERYZZSNMWEZCC-DJJJIMSYSA-N 1 2 339.439 3.744 20 0 EHADLO CC(C)C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccs1 ZINC000532396505 1036277491 /nfs/dbraw/zinc/27/74/91/1036277491.db2.gz WVQZZKWNJBAOOM-HNNXBMFYSA-N 1 2 342.468 3.982 20 0 EHADLO CO[C@H](C)c1noc(CSCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000190964579 1036308871 /nfs/dbraw/zinc/30/88/71/1036308871.db2.gz IUTVOJRDTVNLER-CYBMUJFWSA-N 1 2 344.440 3.705 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@@H+]2CCc2c(F)cccc2Cl)cn1 ZINC000191172701 1036321521 /nfs/dbraw/zinc/32/15/21/1036321521.db2.gz NHAWIRCDTYKULX-INIZCTEOSA-N 1 2 339.867 3.545 20 0 EHADLO Cn1cc([C@@H]2CSCC[N@H+]2CCc2c(F)cccc2Cl)cn1 ZINC000191172701 1036321541 /nfs/dbraw/zinc/32/15/41/1036321541.db2.gz NHAWIRCDTYKULX-INIZCTEOSA-N 1 2 339.867 3.545 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000056493828 1036329739 /nfs/dbraw/zinc/32/97/39/1036329739.db2.gz AXZGQYUDJJIRDG-KIUWMYQTSA-N 1 2 344.455 3.806 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000457666297 1036376810 /nfs/dbraw/zinc/37/68/10/1036376810.db2.gz RHFVHTHOYDLMTN-UHFFFAOYSA-N 1 2 341.842 3.873 20 0 EHADLO C/C=C(/C=C/C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC ZINC000492896668 1036385702 /nfs/dbraw/zinc/38/57/02/1036385702.db2.gz LIVCOPQKSDQKNB-QTMCUISHSA-N 1 2 327.472 3.838 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000572607623 1036399578 /nfs/dbraw/zinc/39/95/78/1036399578.db2.gz DUJYMECDOCAEHU-QGZVFWFLSA-N 1 2 337.471 3.800 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000572607623 1036399589 /nfs/dbraw/zinc/39/95/89/1036399589.db2.gz DUJYMECDOCAEHU-QGZVFWFLSA-N 1 2 337.471 3.800 20 0 EHADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(C(C)(C)C)no1 ZINC000191572339 1036415553 /nfs/dbraw/zinc/41/55/53/1036415553.db2.gz VLHAJZCXHRRBMB-LLVKDONJSA-N 1 2 343.406 3.747 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000191573974 1036415885 /nfs/dbraw/zinc/41/58/85/1036415885.db2.gz BIBYJXGIZJTVIV-CYBMUJFWSA-N 1 2 339.443 3.916 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000191597402 1036418806 /nfs/dbraw/zinc/41/88/06/1036418806.db2.gz MYOGWVYMBHVJRW-KXBFYZLASA-N 1 2 338.455 3.553 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000572647056 1036445815 /nfs/dbraw/zinc/44/58/15/1036445815.db2.gz XYKIQAJUYIRFEA-OEXOTLJISA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000572647056 1036445825 /nfs/dbraw/zinc/44/58/25/1036445825.db2.gz XYKIQAJUYIRFEA-OEXOTLJISA-N 1 2 345.430 3.952 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000457740595 1036449611 /nfs/dbraw/zinc/44/96/11/1036449611.db2.gz IJUSHMXIXXNSAA-STQMWFEESA-N 1 2 330.444 3.635 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1ncccn1 ZINC000192181978 1036484335 /nfs/dbraw/zinc/48/43/35/1036484335.db2.gz DBENERRVVYSCNH-LLVKDONJSA-N 1 2 328.416 3.898 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)cc1 ZINC000541587830 1036488836 /nfs/dbraw/zinc/48/88/36/1036488836.db2.gz UMPQCSZRWCNHSG-LJQANCHMSA-N 1 2 334.423 3.935 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175885405 1036509578 /nfs/dbraw/zinc/50/95/78/1036509578.db2.gz IIKLQLBXJLPJJH-DLBZAZTESA-N 1 2 346.519 3.764 20 0 EHADLO COCCCOc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000175726924 1036534694 /nfs/dbraw/zinc/53/46/94/1036534694.db2.gz QDVWADYYSMMLBC-UHFFFAOYSA-N 1 2 328.412 3.674 20 0 EHADLO FC(F)CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000589597018 1036561891 /nfs/dbraw/zinc/56/18/91/1036561891.db2.gz PWPDBLYFTAUPTF-UHFFFAOYSA-N 1 2 346.421 3.648 20 0 EHADLO COc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000589599094 1036564637 /nfs/dbraw/zinc/56/46/37/1036564637.db2.gz NDUHLGNCZGJYIR-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO COc1ccc(OCCC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000589599094 1036564645 /nfs/dbraw/zinc/56/46/45/1036564645.db2.gz NDUHLGNCZGJYIR-FQEVSTJZSA-N 1 2 345.414 3.677 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1 ZINC000457848729 1036571306 /nfs/dbraw/zinc/57/13/06/1036571306.db2.gz DYOLFXASFNNXHW-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO CC[C@H]1CN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C[C@H]1O ZINC000535510328 1036573555 /nfs/dbraw/zinc/57/35/55/1036573555.db2.gz JXWKYNGVSJNUPC-SMDDNHRTSA-N 1 2 340.345 3.649 20 0 EHADLO CC(C)[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000584509468 1036574588 /nfs/dbraw/zinc/57/45/88/1036574588.db2.gz RKYLIEMZFSYDED-QGZVFWFLSA-N 1 2 326.444 3.633 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000914105722 1036582942 /nfs/dbraw/zinc/58/29/42/1036582942.db2.gz LLKVLRKUBYYQNH-UHFFFAOYSA-N 1 2 345.468 3.508 20 0 EHADLO CCc1nc([C@H]2CCCC[N@@H+]2CCCOCCc2ccccc2)no1 ZINC000613531433 1036618185 /nfs/dbraw/zinc/61/81/85/1036618185.db2.gz WEASBBVRWRMCQU-GOSISDBHSA-N 1 2 343.471 3.808 20 0 EHADLO CCc1nc([C@H]2CCCC[N@H+]2CCCOCCc2ccccc2)no1 ZINC000613531433 1036618191 /nfs/dbraw/zinc/61/81/91/1036618191.db2.gz WEASBBVRWRMCQU-GOSISDBHSA-N 1 2 343.471 3.808 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000892610372 1036630656 /nfs/dbraw/zinc/63/06/56/1036630656.db2.gz JZCOTLVRKLFSLN-UHFFFAOYSA-N 1 2 346.452 3.541 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000493076766 1036643949 /nfs/dbraw/zinc/64/39/49/1036643949.db2.gz YGHKXDWPGHFFJJ-QWNKOJSDSA-N 1 2 331.366 3.511 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)C(F)F)c1ccccc1Cl ZINC000493104836 1036699112 /nfs/dbraw/zinc/69/91/12/1036699112.db2.gz OGJLFGTZNZULFZ-ZBFHGGJFSA-N 1 2 341.785 3.654 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000170819395 1036732509 /nfs/dbraw/zinc/73/25/09/1036732509.db2.gz VMUBEXFMQIFEPP-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000170819395 1036732533 /nfs/dbraw/zinc/73/25/33/1036732533.db2.gz VMUBEXFMQIFEPP-QGZVFWFLSA-N 1 2 332.469 3.641 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cc(C)cc(C)c2)c1C ZINC000666276173 1036737593 /nfs/dbraw/zinc/73/75/93/1036737593.db2.gz CEYNNFGVYXOXGW-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769148 1036761420 /nfs/dbraw/zinc/76/14/20/1036761420.db2.gz HSXKSFFENXURER-IAQYHMDHSA-N 1 2 344.883 3.880 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000464769148 1036761441 /nfs/dbraw/zinc/76/14/41/1036761441.db2.gz HSXKSFFENXURER-IAQYHMDHSA-N 1 2 344.883 3.880 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155012 1036778175 /nfs/dbraw/zinc/77/81/75/1036778175.db2.gz HWTKUQJGKHWVGI-UKRRQHHQSA-N 1 2 330.457 3.512 20 0 EHADLO CSCc1cnc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)s1 ZINC000590184455 1036790619 /nfs/dbraw/zinc/79/06/19/1036790619.db2.gz QTXCYZHYKAGUSD-MRXNPFEDSA-N 1 2 344.509 3.734 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+][C@@H](C)c2ncc(C)s2)cn1 ZINC000491257994 1036800202 /nfs/dbraw/zinc/80/02/02/1036800202.db2.gz HLPJBJPNRGULHP-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590174541 1036800886 /nfs/dbraw/zinc/80/08/86/1036800886.db2.gz CGMSRPGHZUGOPT-BBWFWOEESA-N 1 2 332.492 3.904 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1O ZINC000302933730 1036873242 /nfs/dbraw/zinc/87/32/42/1036873242.db2.gz GVCWSXDEAAVLFK-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1O ZINC000302933730 1036873269 /nfs/dbraw/zinc/87/32/69/1036873269.db2.gz GVCWSXDEAAVLFK-LBPRGKRZSA-N 1 2 345.468 3.641 20 0 EHADLO CC(C)c1csc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000177724535 1036922268 /nfs/dbraw/zinc/92/22/68/1036922268.db2.gz ZPHXKHWZSVSNFS-TZMCWYRMSA-N 1 2 333.461 3.578 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000541983704 1036945028 /nfs/dbraw/zinc/94/50/28/1036945028.db2.gz QVDQHAJKFKYLAX-MRXNPFEDSA-N 1 2 328.437 3.789 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C(C)(C)c1ccccc1 ZINC000539599021 1036951764 /nfs/dbraw/zinc/95/17/64/1036951764.db2.gz FOPMPTPMZHLQGI-INIZCTEOSA-N 1 2 325.456 3.696 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([S@](C)=O)cc1 ZINC000090228962 1036962340 /nfs/dbraw/zinc/96/23/40/1036962340.db2.gz VJNQSKIUMIZYBW-XQHREBAHSA-N 1 2 345.361 3.831 20 0 EHADLO CCC1(CC)[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C[C@@H]1OC ZINC000539609638 1036971187 /nfs/dbraw/zinc/97/11/87/1036971187.db2.gz XPIVUPHIXBGOOR-OALUTQOASA-N 1 2 332.488 3.837 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728713 1037007533 /nfs/dbraw/zinc/00/75/33/1037007533.db2.gz GXTNHADYVKFEGQ-FCGDIQPGSA-N 1 2 347.503 3.524 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414365944 1037014646 /nfs/dbraw/zinc/01/46/46/1037014646.db2.gz AKXVFSRGJZISKV-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414365944 1037014663 /nfs/dbraw/zinc/01/46/63/1037014663.db2.gz AKXVFSRGJZISKV-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO CCCOc1cccc2c(NCc3ccc(CC(N)=O)cc3)cc[nH+]c12 ZINC000685920818 1037028747 /nfs/dbraw/zinc/02/87/47/1037028747.db2.gz DZYSTLOVPINADS-UHFFFAOYSA-N 1 2 349.434 3.664 20 0 EHADLO C[C@H](C[N@@H+]1CCO[C@@H](CCF)C1)c1cccc(Br)c1 ZINC000628458296 1037031019 /nfs/dbraw/zinc/03/10/19/1037031019.db2.gz KWYZCNPHNHUVNC-DOMZBBRYSA-N 1 2 330.241 3.613 20 0 EHADLO C[C@H](C[N@H+]1CCO[C@@H](CCF)C1)c1cccc(Br)c1 ZINC000628458296 1037031039 /nfs/dbraw/zinc/03/10/39/1037031039.db2.gz KWYZCNPHNHUVNC-DOMZBBRYSA-N 1 2 330.241 3.613 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nc(C)cs2)cc1 ZINC000053141296 1037048051 /nfs/dbraw/zinc/04/80/51/1037048051.db2.gz IYSYCASHZHZQSE-MRXNPFEDSA-N 1 2 345.468 3.626 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nc(C)cs2)cc1 ZINC000053141296 1037048069 /nfs/dbraw/zinc/04/80/69/1037048069.db2.gz IYSYCASHZHZQSE-MRXNPFEDSA-N 1 2 345.468 3.626 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CC3)n2)C1 ZINC000590798780 1037062702 /nfs/dbraw/zinc/06/27/02/1037062702.db2.gz NKIWFWQAXLZODJ-CZUORRHYSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CC3)n2)C1 ZINC000590798780 1037062722 /nfs/dbraw/zinc/06/27/22/1037062722.db2.gz NKIWFWQAXLZODJ-CZUORRHYSA-N 1 2 348.516 3.781 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000666451516 1037065265 /nfs/dbraw/zinc/06/52/65/1037065265.db2.gz YLZPBJLSKODCQV-YOEHRIQHSA-N 1 2 333.863 3.871 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000636436111 1037077234 /nfs/dbraw/zinc/07/72/34/1037077234.db2.gz OFTWVLSYENPKOY-LBPRGKRZSA-N 1 2 337.345 3.720 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)CCC(F)(F)F ZINC000104677523 1037082986 /nfs/dbraw/zinc/08/29/86/1037082986.db2.gz KJRPGEYSGLLMBI-NWDGAFQWSA-N 1 2 342.361 3.883 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)CCC(F)(F)F ZINC000104677523 1037083001 /nfs/dbraw/zinc/08/30/01/1037083001.db2.gz KJRPGEYSGLLMBI-NWDGAFQWSA-N 1 2 342.361 3.883 20 0 EHADLO CCC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000590871152 1037108289 /nfs/dbraw/zinc/10/82/89/1037108289.db2.gz RFEAEVJFPDWGRK-ZWKOTPCHSA-N 1 2 332.492 3.979 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000176644261 1037108822 /nfs/dbraw/zinc/10/88/22/1037108822.db2.gz SLUOQBOCNWIRQJ-MEDHRJKHSA-N 1 2 349.478 3.699 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCCSCc1cccc2ccccc21 ZINC000188732954 1037113252 /nfs/dbraw/zinc/11/32/52/1037113252.db2.gz UCDZHUGTTREXIO-UHFFFAOYSA-N 1 2 339.464 3.545 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCCSCc1cccc2ccccc21 ZINC000188732954 1037113269 /nfs/dbraw/zinc/11/32/69/1037113269.db2.gz UCDZHUGTTREXIO-UHFFFAOYSA-N 1 2 339.464 3.545 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(Cl)c(F)c1 ZINC000105003401 1037125793 /nfs/dbraw/zinc/12/57/93/1037125793.db2.gz STJQLLSRNGHXIT-UHFFFAOYSA-N 1 2 336.798 3.888 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c(C)c[nH+]1 ZINC000666495726 1037151601 /nfs/dbraw/zinc/15/16/01/1037151601.db2.gz BBQPLLCQSBVWBL-OAHLLOKOSA-N 1 2 333.338 3.551 20 0 EHADLO CSc1ccc(CCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573003254 1037153725 /nfs/dbraw/zinc/15/37/25/1037153725.db2.gz IPDREWMCYNMFHJ-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO C[C@H](c1nc2ccccc2o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000539790806 1037201586 /nfs/dbraw/zinc/20/15/86/1037201586.db2.gz GOGMGWYMPZYKOW-CQSZACIVSA-N 1 2 327.453 3.768 20 0 EHADLO Cc1cc(N2CCN(C(=O)CCCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000303198613 1037203620 /nfs/dbraw/zinc/20/36/20/1037203620.db2.gz LHBNZOATPNHLIY-UHFFFAOYSA-N 1 2 346.519 3.773 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057823154 1037207235 /nfs/dbraw/zinc/20/72/35/1037207235.db2.gz FGRPFEOTQQQYLH-SFHVURJKSA-N 1 2 325.456 3.789 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057823154 1037207244 /nfs/dbraw/zinc/20/72/44/1037207244.db2.gz FGRPFEOTQQQYLH-SFHVURJKSA-N 1 2 325.456 3.789 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000087158165 1037217092 /nfs/dbraw/zinc/21/70/92/1037217092.db2.gz FRHWIEWEMAOAAY-AWEZNQCLSA-N 1 2 333.407 3.791 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1Oc1ccccc1 ZINC000462652700 1037234527 /nfs/dbraw/zinc/23/45/27/1037234527.db2.gz DJRJWDPIOUGSHW-CJNGLKHVSA-N 1 2 346.377 3.653 20 0 EHADLO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000106136671 1037304214 /nfs/dbraw/zinc/30/42/14/1037304214.db2.gz YZHCYAGZCUJGBU-KGLIPLIRSA-N 1 2 348.878 3.725 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000363652944 1037325073 /nfs/dbraw/zinc/32/50/73/1037325073.db2.gz RVIRVWBAKTVZNB-OAHLLOKOSA-N 1 2 349.475 3.986 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000363652944 1037325094 /nfs/dbraw/zinc/32/50/94/1037325094.db2.gz RVIRVWBAKTVZNB-OAHLLOKOSA-N 1 2 349.475 3.986 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC000539887820 1037325837 /nfs/dbraw/zinc/32/58/37/1037325837.db2.gz ZEAKQOPHFYUICQ-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC000539887820 1037325855 /nfs/dbraw/zinc/32/58/55/1037325855.db2.gz ZEAKQOPHFYUICQ-KBPBESRZSA-N 1 2 342.414 3.781 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000042574749 1037349405 /nfs/dbraw/zinc/34/94/05/1037349405.db2.gz JDULILPESMVOQI-HIFRSBDPSA-N 1 2 346.521 3.920 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000042574749 1037349417 /nfs/dbraw/zinc/34/94/17/1037349417.db2.gz JDULILPESMVOQI-HIFRSBDPSA-N 1 2 346.521 3.920 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000025063785 1037364427 /nfs/dbraw/zinc/36/44/27/1037364427.db2.gz DVVUQTFUGDGVHH-SFHVURJKSA-N 1 2 348.393 3.823 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000025063785 1037364436 /nfs/dbraw/zinc/36/44/36/1037364436.db2.gz DVVUQTFUGDGVHH-SFHVURJKSA-N 1 2 348.393 3.823 20 0 EHADLO C[C@@H](Nc1cc(CSCCO)cc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000591348068 1037369194 /nfs/dbraw/zinc/36/91/94/1037369194.db2.gz CIWQAKRVKOHWTD-VHDGCEQUSA-N 1 2 334.510 3.973 20 0 EHADLO C[C@@H]([NH2+]CCc1cccc(F)c1F)c1noc(Cc2ccccc2)n1 ZINC000544512468 1037373625 /nfs/dbraw/zinc/37/36/25/1037373625.db2.gz KXHIRXYEPFZXLJ-CYBMUJFWSA-N 1 2 343.377 3.832 20 0 EHADLO Cc1noc(C)c1[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301284910 1037377345 /nfs/dbraw/zinc/37/73/45/1037377345.db2.gz NXBQEGFLDLBZNK-LLVKDONJSA-N 1 2 334.383 3.593 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)n1cccc1 ZINC000591450305 1037412242 /nfs/dbraw/zinc/41/22/42/1037412242.db2.gz BJARFJCSRFHODF-ZDUSSCGKSA-N 1 2 328.803 3.917 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000376519829 1037417735 /nfs/dbraw/zinc/41/77/35/1037417735.db2.gz TTWKBDKLMMYHAB-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000376519829 1037417742 /nfs/dbraw/zinc/41/77/42/1037417742.db2.gz TTWKBDKLMMYHAB-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO CCCC[C@@H](CC)CC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000505466418 1037421196 /nfs/dbraw/zinc/42/11/96/1037421196.db2.gz AGYDMAZFDMMFNT-AEFFLSMTSA-N 1 2 332.488 3.775 20 0 EHADLO CCC1(CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CCC1 ZINC000084165833 1037437071 /nfs/dbraw/zinc/43/70/71/1037437071.db2.gz IQDRTVDUBDEELV-QGZVFWFLSA-N 1 2 340.471 3.583 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000171083807 1037450553 /nfs/dbraw/zinc/45/05/53/1037450553.db2.gz FUSUIBOTKCRSRU-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000171083807 1037450572 /nfs/dbraw/zinc/45/05/72/1037450572.db2.gz FUSUIBOTKCRSRU-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO Cc1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)c(C)c[nH+]1 ZINC000573359755 1037456609 /nfs/dbraw/zinc/45/66/09/1037456609.db2.gz FIMUWFYKBNDZJY-FWIFWCIWSA-N 1 2 326.362 3.674 20 0 EHADLO CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000491419919 1037467199 /nfs/dbraw/zinc/46/71/99/1037467199.db2.gz AAAXWIHXYKIAKE-SJCJKPOMSA-N 1 2 334.822 3.683 20 0 EHADLO O=C(Nc1cnccc1-c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000647621532 1037502074 /nfs/dbraw/zinc/50/20/74/1037502074.db2.gz HRRYDRFEOHUGAW-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO c1ccc([C@H]2C[N@H+](Cc3nnc(C4CC4)n3C3CC3)CCS2)cc1 ZINC000376539567 1037512314 /nfs/dbraw/zinc/51/23/14/1037512314.db2.gz LNPYQMGFUHEATL-QGZVFWFLSA-N 1 2 340.496 3.781 20 0 EHADLO c1ccc([C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C3CC3)CCS2)cc1 ZINC000376539567 1037512336 /nfs/dbraw/zinc/51/23/36/1037512336.db2.gz LNPYQMGFUHEATL-QGZVFWFLSA-N 1 2 340.496 3.781 20 0 EHADLO CC[NH+](CC)Cc1nc([C@H](CC(C)C)NC(=O)OC(C)(C)C)no1 ZINC000491489093 1037519607 /nfs/dbraw/zinc/51/96/07/1037519607.db2.gz UYYAWQANYFWFOQ-ZDUSSCGKSA-N 1 2 340.468 3.523 20 0 EHADLO COC(=O)C1CC[NH+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000007636488 1037520695 /nfs/dbraw/zinc/52/06/95/1037520695.db2.gz DFSBWTPSURTTMJ-UHFFFAOYSA-N 1 2 330.453 3.504 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c2ncccc12 ZINC000193590365 1037525240 /nfs/dbraw/zinc/52/52/40/1037525240.db2.gz ZXTOJAOMXDUSQW-ZDUSSCGKSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c2ncccc12 ZINC000193590365 1037525257 /nfs/dbraw/zinc/52/52/57/1037525257.db2.gz ZXTOJAOMXDUSQW-ZDUSSCGKSA-N 1 2 326.831 3.991 20 0 EHADLO O[C@H](C[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1)c1ccco1 ZINC000760844675 1037527028 /nfs/dbraw/zinc/52/70/28/1037527028.db2.gz RDNCMCJCYPSOGG-QGZVFWFLSA-N 1 2 338.407 3.881 20 0 EHADLO O[C@H](C[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1)c1ccco1 ZINC000760844675 1037527039 /nfs/dbraw/zinc/52/70/39/1037527039.db2.gz RDNCMCJCYPSOGG-QGZVFWFLSA-N 1 2 338.407 3.881 20 0 EHADLO Brc1cn[nH]c1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000532502796 1037531305 /nfs/dbraw/zinc/53/13/05/1037531305.db2.gz SMSHJVHYYGGPAR-ZFWWWQNUSA-N 1 2 334.261 3.988 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(c1ccccc1)C1CCC1 ZINC000913673693 1037546368 /nfs/dbraw/zinc/54/63/68/1037546368.db2.gz OYTSXPUJJGQAMC-HNNXBMFYSA-N 1 2 337.345 3.962 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000347371469 1037567044 /nfs/dbraw/zinc/56/70/44/1037567044.db2.gz BTUOYKVULLIXGI-HOTGVXAUSA-N 1 2 347.256 3.751 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000347371469 1037567059 /nfs/dbraw/zinc/56/70/59/1037567059.db2.gz BTUOYKVULLIXGI-HOTGVXAUSA-N 1 2 347.256 3.751 20 0 EHADLO CCCCc1noc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000101561304 1037570953 /nfs/dbraw/zinc/57/09/53/1037570953.db2.gz ZCXAGSPZDWVONA-UHFFFAOYSA-N 1 2 332.423 3.628 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000573526538 1037597200 /nfs/dbraw/zinc/59/72/00/1037597200.db2.gz JKHJZDCLKPKWDH-MRXNPFEDSA-N 1 2 331.419 3.913 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccsc1 ZINC000669937624 1037624639 /nfs/dbraw/zinc/62/46/39/1037624639.db2.gz NEBUQKBUMDXRQD-VXGBXAGGSA-N 1 2 340.456 3.671 20 0 EHADLO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000669861190 1037643207 /nfs/dbraw/zinc/64/32/07/1037643207.db2.gz BLPHUXAVVQYXKI-RHSMWYFYSA-N 1 2 346.521 3.715 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS[C@H](C(C)C)C1 ZINC000463004396 1037649466 /nfs/dbraw/zinc/64/94/66/1037649466.db2.gz ARWYXNOFUOERKG-KRWDZBQOSA-N 1 2 344.480 3.989 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838590 1037709038 /nfs/dbraw/zinc/70/90/38/1037709038.db2.gz TXAZBJVNVKRETR-TZMCWYRMSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838590 1037709049 /nfs/dbraw/zinc/70/90/49/1037709049.db2.gz TXAZBJVNVKRETR-TZMCWYRMSA-N 1 2 349.272 3.997 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCn2ccc3ccccc32)c[nH+]1 ZINC000454144617 1037710434 /nfs/dbraw/zinc/71/04/34/1037710434.db2.gz GMOMUFGKUIUOMW-UHFFFAOYSA-N 1 2 336.439 3.543 20 0 EHADLO CC(C)COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111728751 1037742727 /nfs/dbraw/zinc/74/27/27/1037742727.db2.gz XLCHQNDPUMPBSG-UHFFFAOYSA-N 1 2 342.443 3.787 20 0 EHADLO Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)cs1 ZINC000030608801 1037758434 /nfs/dbraw/zinc/75/84/34/1037758434.db2.gz RXAWIGNLKOEQNG-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071452 1037811872 /nfs/dbraw/zinc/81/18/72/1037811872.db2.gz FOAFMDYVDQBCBC-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071452 1037811904 /nfs/dbraw/zinc/81/19/04/1037811904.db2.gz FOAFMDYVDQBCBC-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096489 1037816940 /nfs/dbraw/zinc/81/69/40/1037816940.db2.gz MAUHUZBSOBOSKM-SJLPKXTDSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096489 1037816960 /nfs/dbraw/zinc/81/69/60/1037816960.db2.gz MAUHUZBSOBOSKM-SJLPKXTDSA-N 1 2 336.426 3.653 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378072776 1037817582 /nfs/dbraw/zinc/81/75/82/1037817582.db2.gz HFKLKARRJDEDDA-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378072776 1037817601 /nfs/dbraw/zinc/81/76/01/1037817601.db2.gz HFKLKARRJDEDDA-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000540349548 1037835135 /nfs/dbraw/zinc/83/51/35/1037835135.db2.gz YGAKPIABRWMDAH-XLIONFOSSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000540349548 1037835159 /nfs/dbraw/zinc/83/51/59/1037835159.db2.gz YGAKPIABRWMDAH-XLIONFOSSA-N 1 2 343.492 3.852 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000152535426 1037852862 /nfs/dbraw/zinc/85/28/62/1037852862.db2.gz VFGRFDNIUVQFQD-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000152535426 1037852883 /nfs/dbraw/zinc/85/28/83/1037852883.db2.gz VFGRFDNIUVQFQD-OAHLLOKOSA-N 1 2 347.459 3.793 20 0 EHADLO CC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119263728 1037892514 /nfs/dbraw/zinc/89/25/14/1037892514.db2.gz ZPXKIGYICGMPOW-QZTJIDSGSA-N 1 2 331.504 3.808 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)o1 ZINC000347436934 1037898491 /nfs/dbraw/zinc/89/84/91/1037898491.db2.gz KPYSHHSMCCKZKR-UHFFFAOYSA-N 1 2 349.390 3.934 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000592259433 1037902549 /nfs/dbraw/zinc/90/25/49/1037902549.db2.gz DQRZQDKJXXIBPT-LSDHHAIUSA-N 1 2 347.459 3.639 20 0 EHADLO Clc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2)cc1 ZINC000669943274 1037913243 /nfs/dbraw/zinc/91/32/43/1037913243.db2.gz HISULLKWLKAVEU-KDURUIRLSA-N 1 2 345.826 3.732 20 0 EHADLO Clc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)c2)cc1 ZINC000669943274 1037913253 /nfs/dbraw/zinc/91/32/53/1037913253.db2.gz HISULLKWLKAVEU-KDURUIRLSA-N 1 2 345.826 3.732 20 0 EHADLO Cc1scc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000179854139 1037946667 /nfs/dbraw/zinc/94/66/67/1037946667.db2.gz HHARCFDSTDTJPD-UHFFFAOYSA-N 1 2 329.400 3.620 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2OC)c1 ZINC000540459612 1037959471 /nfs/dbraw/zinc/95/94/71/1037959471.db2.gz NTUXEELLWRLNBC-CYBMUJFWSA-N 1 2 330.403 3.686 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532625122 1037972001 /nfs/dbraw/zinc/97/20/01/1037972001.db2.gz HYVTTXJRQRYOIB-ZDUSSCGKSA-N 1 2 332.469 3.817 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532625122 1037972019 /nfs/dbraw/zinc/97/20/19/1037972019.db2.gz HYVTTXJRQRYOIB-ZDUSSCGKSA-N 1 2 332.469 3.817 20 0 EHADLO COc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1OC ZINC000184311410 1038027388 /nfs/dbraw/zinc/02/73/88/1038027388.db2.gz YJMYLFBTOOLDGB-UHFFFAOYSA-N 1 2 331.803 3.856 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCCc1cccc(C)n1)c1ccccc1 ZINC000180111556 1038046099 /nfs/dbraw/zinc/04/60/99/1038046099.db2.gz FRHSPEOOTIEBDM-IBGZPJMESA-N 1 2 326.440 3.559 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCCc1cccc(C)n1)c1ccccc1 ZINC000180111556 1038046117 /nfs/dbraw/zinc/04/61/17/1038046117.db2.gz FRHSPEOOTIEBDM-IBGZPJMESA-N 1 2 326.440 3.559 20 0 EHADLO CCC1(CC)[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C[C@H]1OC ZINC000540591043 1038120432 /nfs/dbraw/zinc/12/04/32/1038120432.db2.gz DKKCSBUNHXPPBD-USXIJHARSA-N 1 2 343.471 3.905 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592796276 1038134504 /nfs/dbraw/zinc/13/45/04/1038134504.db2.gz LKLNSVNURUGNBK-UHFFFAOYSA-N 1 2 343.427 3.692 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCSCc2ccccc2F)c[nH+]1 ZINC000454208928 1038222100 /nfs/dbraw/zinc/22/21/00/1038222100.db2.gz BCIZIFOSHZJXGW-UHFFFAOYSA-N 1 2 347.459 3.570 20 0 EHADLO CSCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378278248 1038370534 /nfs/dbraw/zinc/37/05/34/1038370534.db2.gz VMXMENBQTNWLJQ-UHFFFAOYSA-N 1 2 327.453 3.684 20 0 EHADLO CC(C)[C@@H](N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000538582018 1038403614 /nfs/dbraw/zinc/40/36/14/1038403614.db2.gz XFOWUMSVQKASRI-MAUKXSAKSA-N 1 2 343.471 3.889 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nc2ccccc12 ZINC000339130957 1038406890 /nfs/dbraw/zinc/40/68/90/1038406890.db2.gz QTBQACLCBDPGHS-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000538613370 1038423342 /nfs/dbraw/zinc/42/33/42/1038423342.db2.gz OXNDCLTYWXREMI-CQSZACIVSA-N 1 2 339.222 3.929 20 0 EHADLO Cc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)nc(C2CCC2)[nH+]1 ZINC000893209015 1038488506 /nfs/dbraw/zinc/48/85/06/1038488506.db2.gz DLBNSAMYYVHNEX-INIZCTEOSA-N 1 2 343.393 3.582 20 0 EHADLO Cc1nc([C@@H]2CCCCN2Cc2c[nH+]c(C)n2-c2ccccc2)no1 ZINC000378349965 1038500564 /nfs/dbraw/zinc/50/05/64/1038500564.db2.gz MFYLRUCHUCXXCT-SFHVURJKSA-N 1 2 337.427 3.599 20 0 EHADLO COCc1cccc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000538783770 1038539728 /nfs/dbraw/zinc/53/97/28/1038539728.db2.gz IRCMMGMREYHORM-QGZVFWFLSA-N 1 2 342.458 3.851 20 0 EHADLO CCn1nccc1C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549425979 1038563493 /nfs/dbraw/zinc/56/34/93/1038563493.db2.gz UYLAXZNTWITYRG-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO CCn1nccc1C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549425979 1038563502 /nfs/dbraw/zinc/56/35/02/1038563502.db2.gz UYLAXZNTWITYRG-MRXNPFEDSA-N 1 2 341.352 3.993 20 0 EHADLO C[C@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)CC[C@@H]1c1ccccc1 ZINC000538953156 1038612489 /nfs/dbraw/zinc/61/24/89/1038612489.db2.gz IKWMNMBYLDIGRJ-PXNSSMCTSA-N 1 2 332.451 3.893 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)CC[C@@H]1c1ccccc1 ZINC000538953156 1038612491 /nfs/dbraw/zinc/61/24/91/1038612491.db2.gz IKWMNMBYLDIGRJ-PXNSSMCTSA-N 1 2 332.451 3.893 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000431868463 1038620465 /nfs/dbraw/zinc/62/04/65/1038620465.db2.gz BUQLUVNUDWIMDG-UHFFFAOYSA-N 1 2 346.450 3.883 20 0 EHADLO CCC[C@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000378445536 1038628776 /nfs/dbraw/zinc/62/87/76/1038628776.db2.gz VAUIVGCFZLVJQF-CQSZACIVSA-N 1 2 338.377 3.696 20 0 EHADLO CCC[C@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1ccccc1 ZINC000378445536 1038628777 /nfs/dbraw/zinc/62/87/77/1038628777.db2.gz VAUIVGCFZLVJQF-CQSZACIVSA-N 1 2 338.377 3.696 20 0 EHADLO Cc1ccc(CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C2CC2)cc1C ZINC000651377730 1038635722 /nfs/dbraw/zinc/63/57/22/1038635722.db2.gz VMAVDWPJCNRVFA-UHFFFAOYSA-N 1 2 337.467 3.570 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489286 1038660434 /nfs/dbraw/zinc/66/04/34/1038660434.db2.gz BULHTPVSLDTKIS-DOTOQJQBSA-N 1 2 345.464 3.568 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000378489286 1038660435 /nfs/dbraw/zinc/66/04/35/1038660435.db2.gz BULHTPVSLDTKIS-DOTOQJQBSA-N 1 2 345.464 3.568 20 0 EHADLO COc1ncc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1Cl ZINC000539142294 1038708322 /nfs/dbraw/zinc/70/83/22/1038708322.db2.gz SAMUAPJAHVZEQN-UHFFFAOYSA-N 1 2 345.855 3.953 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)n1 ZINC000539227336 1038740152 /nfs/dbraw/zinc/74/01/52/1038740152.db2.gz ZTPLXILMKKFVFT-INIZCTEOSA-N 1 2 334.423 3.610 20 0 EHADLO Cc1ccccc1C1=CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000378602258 1038754111 /nfs/dbraw/zinc/75/41/11/1038754111.db2.gz WVPHVTMGTDECEN-UHFFFAOYSA-N 1 2 329.403 3.720 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccoc1C1CC1 ZINC000552035035 1038762717 /nfs/dbraw/zinc/76/27/17/1038762717.db2.gz DQCKWLVAZTTZJY-SHTZXODSSA-N 1 2 325.412 3.705 20 0 EHADLO CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCO1 ZINC000552035919 1038779504 /nfs/dbraw/zinc/77/95/04/1038779504.db2.gz OBRDWISZYPOPRJ-XLAORIBOSA-N 1 2 345.487 3.516 20 0 EHADLO CCC(CC)n1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)n1 ZINC000539334231 1038782813 /nfs/dbraw/zinc/78/28/13/1038782813.db2.gz YMYPUJJVZHJMAS-UHFFFAOYSA-N 1 2 327.428 3.752 20 0 EHADLO CC1(C)CCCC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000345030760 1038823134 /nfs/dbraw/zinc/82/31/34/1038823134.db2.gz YMXZNEPYMNIIQG-HNNXBMFYSA-N 1 2 329.419 3.844 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cccc2nccn21 ZINC000539367519 1038831649 /nfs/dbraw/zinc/83/16/49/1038831649.db2.gz RNRCHTGJRCNUHU-IBGZPJMESA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cccc2nccn21 ZINC000539367519 1038831671 /nfs/dbraw/zinc/83/16/71/1038831671.db2.gz RNRCHTGJRCNUHU-IBGZPJMESA-N 1 2 345.450 3.948 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000488100579 1038856738 /nfs/dbraw/zinc/85/67/38/1038856738.db2.gz GCQNYKJEUNXFHD-OIISXLGYSA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000488100579 1038856756 /nfs/dbraw/zinc/85/67/56/1038856756.db2.gz GCQNYKJEUNXFHD-OIISXLGYSA-N 1 2 344.282 3.804 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000462224812 1038861039 /nfs/dbraw/zinc/86/10/39/1038861039.db2.gz UDYYIQMPOMASDV-GDBMZVCRSA-N 1 2 335.517 3.715 20 0 EHADLO CC(C)Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)cn1 ZINC000893265589 1038864083 /nfs/dbraw/zinc/86/40/83/1038864083.db2.gz LBCYVOIXILLODR-UHFFFAOYSA-N 1 2 331.485 3.513 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000462213398 1038871127 /nfs/dbraw/zinc/87/11/27/1038871127.db2.gz XCLNOWXNRXFZIC-GOEBONIOSA-N 1 2 335.517 3.715 20 0 EHADLO FC(F)Cn1cc(CNc2[nH+]c3ccccc3n2CC2CC2)cn1 ZINC000905426114 1038889444 /nfs/dbraw/zinc/88/94/44/1038889444.db2.gz JVBQKOFAYJPTKH-UHFFFAOYSA-N 1 2 331.370 3.520 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(-c2ccc3[nH+]ccn3c2C)c1 ZINC001204719503 1038904372 /nfs/dbraw/zinc/90/43/72/1038904372.db2.gz RGFPOAHIZYOUIX-UHFFFAOYSA-N 1 2 325.387 3.931 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000552085342 1038944200 /nfs/dbraw/zinc/94/42/00/1038944200.db2.gz AFWFNUXZVHAAJF-BBRMVZONSA-N 1 2 327.428 3.929 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000552085342 1038944214 /nfs/dbraw/zinc/94/42/14/1038944214.db2.gz AFWFNUXZVHAAJF-BBRMVZONSA-N 1 2 327.428 3.929 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477870817 1039003790 /nfs/dbraw/zinc/00/37/90/1039003790.db2.gz ADGKNMDUYGLBQF-GOSISDBHSA-N 1 2 344.499 3.631 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477870817 1039003809 /nfs/dbraw/zinc/00/38/09/1039003809.db2.gz ADGKNMDUYGLBQF-GOSISDBHSA-N 1 2 344.499 3.631 20 0 EHADLO Cc1csc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1Cl ZINC000477871282 1039005180 /nfs/dbraw/zinc/00/51/80/1039005180.db2.gz CKOVNEMTCDZWBS-UHFFFAOYSA-N 1 2 348.899 3.710 20 0 EHADLO CC(C)([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1cccs1 ZINC000488283924 1039039313 /nfs/dbraw/zinc/03/93/13/1039039313.db2.gz YCEKKUMLSABQJC-UHFFFAOYSA-N 1 2 331.416 3.886 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749952 1039039868 /nfs/dbraw/zinc/03/98/68/1039039868.db2.gz AWLCHIIQPUNALZ-WPRPVWTQSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000432749952 1039039886 /nfs/dbraw/zinc/03/98/86/1039039886.db2.gz AWLCHIIQPUNALZ-WPRPVWTQSA-N 1 2 333.297 3.655 20 0 EHADLO CCNC(=O)c1ccc(C)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124968051 1039112780 /nfs/dbraw/zinc/11/27/80/1039112780.db2.gz AFHPQMDFVMSPBQ-UHFFFAOYSA-N 1 2 334.423 3.543 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667614931 1039128882 /nfs/dbraw/zinc/12/88/82/1039128882.db2.gz BJZMEZXFPMIRGX-SECBINFHSA-N 1 2 332.395 3.705 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)nn2C)s1 ZINC000667614931 1039128890 /nfs/dbraw/zinc/12/88/90/1039128890.db2.gz BJZMEZXFPMIRGX-SECBINFHSA-N 1 2 332.395 3.705 20 0 EHADLO COc1ncccc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000488407215 1039141033 /nfs/dbraw/zinc/14/10/33/1039141033.db2.gz MICXMDVOROJABS-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ncccc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000488407215 1039141037 /nfs/dbraw/zinc/14/10/37/1039141037.db2.gz MICXMDVOROJABS-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO CNc1[nH+]cnc2c1cnn2Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000418936415 1039146125 /nfs/dbraw/zinc/14/61/25/1039146125.db2.gz DVHLSHJFXWDRIZ-JTQLQIEISA-N 1 2 335.333 3.582 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442142 1039169456 /nfs/dbraw/zinc/16/94/56/1039169456.db2.gz DMUDIQCAYXEONQ-KDOFPFPSSA-N 1 2 334.414 3.825 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2Cc2ncnn2CC(F)F)cc1 ZINC000488442142 1039169463 /nfs/dbraw/zinc/16/94/63/1039169463.db2.gz DMUDIQCAYXEONQ-KDOFPFPSSA-N 1 2 334.414 3.825 20 0 EHADLO CN(C)c1ccc(NCc2ccc(OCC(F)(F)F)cc2)[nH+]c1 ZINC000150910108 1039201978 /nfs/dbraw/zinc/20/19/78/1039201978.db2.gz RNRLKBHRWZVIHX-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO Fc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1F ZINC000569008871 1039208738 /nfs/dbraw/zinc/20/87/38/1039208738.db2.gz UGYLJMVPFWNUES-KBPBESRZSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1F ZINC000569008871 1039208754 /nfs/dbraw/zinc/20/87/54/1039208754.db2.gz UGYLJMVPFWNUES-KBPBESRZSA-N 1 2 346.215 3.871 20 0 EHADLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C(C)(C)C1 ZINC000488472703 1039211961 /nfs/dbraw/zinc/21/19/61/1039211961.db2.gz XNRAMEDUFIPXAR-UHFFFAOYSA-N 1 2 345.462 3.776 20 0 EHADLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C(C)(C)C1 ZINC000488472703 1039211970 /nfs/dbraw/zinc/21/19/70/1039211970.db2.gz XNRAMEDUFIPXAR-UHFFFAOYSA-N 1 2 345.462 3.776 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)c(F)c1 ZINC000488488525 1039224213 /nfs/dbraw/zinc/22/42/13/1039224213.db2.gz HPJDOQJQAJRLPH-UHFFFAOYSA-N 1 2 330.378 3.524 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)c(F)c1 ZINC000488488525 1039224222 /nfs/dbraw/zinc/22/42/22/1039224222.db2.gz HPJDOQJQAJRLPH-UHFFFAOYSA-N 1 2 330.378 3.524 20 0 EHADLO O=C(c1cc[nH]c1C1CCC1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000488552918 1039266027 /nfs/dbraw/zinc/26/60/27/1039266027.db2.gz VQGYHQLSIAIGEK-KRWDZBQOSA-N 1 2 343.858 3.722 20 0 EHADLO CCC1(CC)CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663837780 1039266592 /nfs/dbraw/zinc/26/65/92/1039266592.db2.gz WANOPOYZXHAHBW-UHFFFAOYSA-N 1 2 346.519 3.625 20 0 EHADLO CCC1(CC)CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663837780 1039266599 /nfs/dbraw/zinc/26/65/99/1039266599.db2.gz WANOPOYZXHAHBW-UHFFFAOYSA-N 1 2 346.519 3.625 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000237014882 1039293615 /nfs/dbraw/zinc/29/36/15/1039293615.db2.gz RBXCVKPMXTVSEM-OAHLLOKOSA-N 1 2 337.423 3.910 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCC(C)(C)C3)cn2c1 ZINC000478203591 1039300090 /nfs/dbraw/zinc/30/00/90/1039300090.db2.gz NWQHKKAZPJTJTB-INIZCTEOSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000509752526 1039301745 /nfs/dbraw/zinc/30/17/45/1039301745.db2.gz SWZNECBSFXZUFC-WMZOPIPTSA-N 1 2 340.471 3.886 20 0 EHADLO OC[C@@]1(F)CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H]1c1ccccc1 ZINC000584588043 1039311473 /nfs/dbraw/zinc/31/14/73/1039311473.db2.gz NVWYIZBVTWPKTB-QUCCMNQESA-N 1 2 340.373 3.678 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000552491128 1039317098 /nfs/dbraw/zinc/31/70/98/1039317098.db2.gz DXPKNKXVSCZJBK-JKSUJKDBSA-N 1 2 325.456 3.514 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000552491128 1039317116 /nfs/dbraw/zinc/31/71/16/1039317116.db2.gz DXPKNKXVSCZJBK-JKSUJKDBSA-N 1 2 325.456 3.514 20 0 EHADLO Clc1cccc(C[NH+]2CCC(Oc3cnccn3)CC2)c1Cl ZINC000488725595 1039346487 /nfs/dbraw/zinc/34/64/87/1039346487.db2.gz UUELILNMUUKKMS-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464414 1039362725 /nfs/dbraw/zinc/36/27/25/1039362725.db2.gz WACURZANLQJXSS-RDJZCZTQSA-N 1 2 341.459 3.759 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000567311416 1039372362 /nfs/dbraw/zinc/37/23/62/1039372362.db2.gz BUWMZUSTAALUNK-MJSXRHKHSA-N 1 2 343.421 3.752 20 0 EHADLO CCc1nc[nH]c1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000906246798 1039408840 /nfs/dbraw/zinc/40/88/40/1039408840.db2.gz GAUSMVAHHORTAC-UHFFFAOYSA-N 1 2 337.427 3.593 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651422116 1039441277 /nfs/dbraw/zinc/44/12/77/1039441277.db2.gz NAXGPMHULKBNEY-UHFFFAOYSA-N 1 2 341.455 3.826 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000554536275 1039442944 /nfs/dbraw/zinc/44/29/44/1039442944.db2.gz MEIKEMFXNZEDDX-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651423979 1039473330 /nfs/dbraw/zinc/47/33/30/1039473330.db2.gz YFROUBUVTWWDJO-UHFFFAOYSA-N 1 2 337.345 3.728 20 0 EHADLO CSCC1CCC([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000570283744 1039482884 /nfs/dbraw/zinc/48/28/84/1039482884.db2.gz QZBQNMVCSYZGKX-QOJXUVEWSA-N 1 2 334.464 3.545 20 0 EHADLO CSCC1CCC([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000570283744 1039482888 /nfs/dbraw/zinc/48/28/88/1039482888.db2.gz QZBQNMVCSYZGKX-QOJXUVEWSA-N 1 2 334.464 3.545 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc(C)c1F ZINC000432845203 1039539873 /nfs/dbraw/zinc/53/98/73/1039539873.db2.gz CLWCTVOPGBDORH-LLVKDONJSA-N 1 2 340.240 3.789 20 0 EHADLO CC(C)(C)c1ccc(C(F)(F)C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000898810604 1039558270 /nfs/dbraw/zinc/55/82/70/1039558270.db2.gz MPASXTPQRQVUQD-CQSZACIVSA-N 1 2 333.382 3.534 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)oc1C ZINC000432861921 1039571829 /nfs/dbraw/zinc/57/18/29/1039571829.db2.gz XYAZPAZCFMIIJX-VIFPVBQESA-N 1 2 341.329 3.985 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)oc1C ZINC000432861921 1039571838 /nfs/dbraw/zinc/57/18/38/1039571838.db2.gz XYAZPAZCFMIIJX-VIFPVBQESA-N 1 2 341.329 3.985 20 0 EHADLO Cc1sc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667368234 1039592787 /nfs/dbraw/zinc/59/27/87/1039592787.db2.gz KOJFEJUBXIXWED-TZMCWYRMSA-N 1 2 347.488 3.886 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@@H](n4cc[nH+]c4)C1)(C3)C2 ZINC000906559005 1039624752 /nfs/dbraw/zinc/62/47/52/1039624752.db2.gz HWEXGLNBQTVWCB-CZZMKVDGSA-N 1 2 327.472 3.653 20 0 EHADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC(C)(C)O1 ZINC000480513846 1039639301 /nfs/dbraw/zinc/63/93/01/1039639301.db2.gz SISYNYDJTRGGDW-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC(C)(C)O1 ZINC000480513846 1039639308 /nfs/dbraw/zinc/63/93/08/1039639308.db2.gz SISYNYDJTRGGDW-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000552923638 1039639229 /nfs/dbraw/zinc/63/92/29/1039639229.db2.gz SEEUGTSYWKEKKI-RNCFNFMXSA-N 1 2 330.375 3.855 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001143534435 1039675539 /nfs/dbraw/zinc/67/55/39/1039675539.db2.gz QUKKQWOILDFDBZ-GJZGRUSLSA-N 1 2 346.833 3.951 20 0 EHADLO COc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001143534435 1039675548 /nfs/dbraw/zinc/67/55/48/1039675548.db2.gz QUKKQWOILDFDBZ-GJZGRUSLSA-N 1 2 346.833 3.951 20 0 EHADLO CC(C)(CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)n1cc[nH+]c1 ZINC000898902963 1039680383 /nfs/dbraw/zinc/68/03/83/1039680383.db2.gz XQWXRAKHTNGCCL-MOPGFXCFSA-N 1 2 333.435 3.691 20 0 EHADLO CC(C)(CNC(=O)CC(c1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC000898893449 1039682733 /nfs/dbraw/zinc/68/27/33/1039682733.db2.gz LGICOVREYYNBQA-UHFFFAOYSA-N 1 2 347.462 3.957 20 0 EHADLO CC(C)(CNC(=O)CCCc1csc2ccccc12)n1cc[nH+]c1 ZINC000898903652 1039689726 /nfs/dbraw/zinc/68/97/26/1039689726.db2.gz GWZMJKJODVVKAK-UHFFFAOYSA-N 1 2 341.480 3.972 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC000660195723 1039692606 /nfs/dbraw/zinc/69/26/06/1039692606.db2.gz BBTVYETWBQNGHM-ZETCQYMHSA-N 1 2 344.640 3.953 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906801 1039695584 /nfs/dbraw/zinc/69/55/84/1039695584.db2.gz PIHJRYYCXAKKIL-UHFFFAOYSA-N 1 2 337.876 3.814 20 0 EHADLO CC(C)(CNC(=O)c1cc(C(F)(F)F)ccc1Cl)n1cc[nH+]c1 ZINC000898911320 1039699939 /nfs/dbraw/zinc/69/99/39/1039699939.db2.gz PLIOPOZZTOQJKJ-UHFFFAOYSA-N 1 2 345.752 3.720 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)c(C)[nH+]1 ZINC000912348938 1039827048 /nfs/dbraw/zinc/82/70/48/1039827048.db2.gz UTAPQMFOFCQHLE-QGZVFWFLSA-N 1 2 346.434 3.580 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(O)c(F)c3)n2)cc1 ZINC000893976334 1039912786 /nfs/dbraw/zinc/91/27/86/1039912786.db2.gz OLBZIRZMMJOACX-GFCCVEGCSA-N 1 2 341.386 3.995 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1nc(Cc2ccccc2)no1 ZINC000893977152 1039916851 /nfs/dbraw/zinc/91/68/51/1039916851.db2.gz WHYRUGLLBIMDQU-GJZGRUSLSA-N 1 2 349.434 3.835 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000584805646 1039919742 /nfs/dbraw/zinc/91/97/42/1039919742.db2.gz AOSCFRUVQKYZRL-OAQYLSRUSA-N 1 2 348.450 3.921 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000584805646 1039919763 /nfs/dbraw/zinc/91/97/63/1039919763.db2.gz AOSCFRUVQKYZRL-OAQYLSRUSA-N 1 2 348.450 3.921 20 0 EHADLO CC(C)N(C)C(=O)C1CCN(c2cc[nH+]c3c(Cl)cccc32)CC1 ZINC000553272630 1039927802 /nfs/dbraw/zinc/92/78/02/1039927802.db2.gz GEXDROMHZDNSFA-UHFFFAOYSA-N 1 2 345.874 3.971 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000893988804 1039943713 /nfs/dbraw/zinc/94/37/13/1039943713.db2.gz BEDRXAVYSZOQDS-UHFFFAOYSA-N 1 2 333.407 3.550 20 0 EHADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1ccc(F)nc1 ZINC000188468860 1039970557 /nfs/dbraw/zinc/97/05/57/1039970557.db2.gz JWGBLNMPWCPAAC-UHFFFAOYSA-N 1 2 349.207 3.965 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](C)C[C@@H]3c3ccccc3)[nH+]c12 ZINC000553331217 1039980380 /nfs/dbraw/zinc/98/03/80/1039980380.db2.gz ADVGQISECZPDNN-HNAYVOBHSA-N 1 2 333.435 3.795 20 0 EHADLO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ncc(Br)cc1O ZINC000894027635 1039994081 /nfs/dbraw/zinc/99/40/81/1039994081.db2.gz DMYUNZXMCVOUBD-QMMMGPOBSA-N 1 2 341.171 3.760 20 0 EHADLO Fc1ccc([C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000480780573 1040002023 /nfs/dbraw/zinc/00/20/23/1040002023.db2.gz QZCVTEUELGOZCN-INIZCTEOSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1ccc([C@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000480780573 1040002036 /nfs/dbraw/zinc/00/20/36/1040002036.db2.gz QZCVTEUELGOZCN-INIZCTEOSA-N 1 2 326.419 3.600 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000486237061 1040004039 /nfs/dbraw/zinc/00/40/39/1040004039.db2.gz WOPHGSRIISXWEE-ZWKOTPCHSA-N 1 2 348.535 3.991 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438658 1040022331 /nfs/dbraw/zinc/02/23/31/1040022331.db2.gz MQCYILKDJUPFPA-CVEARBPZSA-N 1 2 329.444 3.783 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@@H]2CCOC(C)(C)C2)no1)c1ccccc1 ZINC000651438658 1040022347 /nfs/dbraw/zinc/02/23/47/1040022347.db2.gz MQCYILKDJUPFPA-CVEARBPZSA-N 1 2 329.444 3.783 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2c(Cl)oc3ccccc32)c[nH+]1 ZINC000899134134 1040052997 /nfs/dbraw/zinc/05/29/97/1040052997.db2.gz UUHSEQIVEHTNLD-UHFFFAOYSA-N 1 2 331.803 3.643 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1csc(C(F)(F)F)n1 ZINC000188820802 1040082774 /nfs/dbraw/zinc/08/27/74/1040082774.db2.gz FAHMIFOPUQRTTQ-UHFFFAOYSA-N 1 2 338.314 3.804 20 0 EHADLO Cc1cc(NC[C@H](Cc2ccccc2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000575225495 1040090917 /nfs/dbraw/zinc/09/09/17/1040090917.db2.gz WBVXAKHVJXGJLY-HNNXBMFYSA-N 1 2 335.373 3.917 20 0 EHADLO C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000912716911 1040145324 /nfs/dbraw/zinc/14/53/24/1040145324.db2.gz OLAKSUGSCJYPDN-NRFANRHFSA-N 1 2 333.435 3.729 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245598973 1040171413 /nfs/dbraw/zinc/17/14/13/1040171413.db2.gz IHDOKHAMEFLBIB-BZUAXINKSA-N 1 2 330.255 3.670 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245598973 1040171419 /nfs/dbraw/zinc/17/14/19/1040171419.db2.gz IHDOKHAMEFLBIB-BZUAXINKSA-N 1 2 330.255 3.670 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@H](NC(=O)CC)C3)cc[nH+]c12 ZINC000486484097 1040175607 /nfs/dbraw/zinc/17/56/07/1040175607.db2.gz BZSUNEFTAGAOTO-HNNXBMFYSA-N 1 2 341.455 3.519 20 0 EHADLO CO[C@H](C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 ZINC000660268950 1040177739 /nfs/dbraw/zinc/17/77/39/1040177739.db2.gz JXRUZWHXNYQYCC-MAUKXSAKSA-N 1 2 343.471 3.906 20 0 EHADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810143 1040177858 /nfs/dbraw/zinc/17/78/58/1040177858.db2.gz NZUAJSBOYHSSSS-CABCVRRESA-N 1 2 329.488 3.867 20 0 EHADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810143 1040177862 /nfs/dbraw/zinc/17/78/62/1040177862.db2.gz NZUAJSBOYHSSSS-CABCVRRESA-N 1 2 329.488 3.867 20 0 EHADLO CC(C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)=C1CCC1 ZINC000907815091 1040180585 /nfs/dbraw/zinc/18/05/85/1040180585.db2.gz IIMXGNYBTSJCFY-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO CC(C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)=C1CCC1 ZINC000907815091 1040180596 /nfs/dbraw/zinc/18/05/96/1040180596.db2.gz IIMXGNYBTSJCFY-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO CC(F)(F)CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814873 1040181553 /nfs/dbraw/zinc/18/15/53/1040181553.db2.gz IGGKCMWRPOARQS-ZDUSSCGKSA-N 1 2 339.430 3.866 20 0 EHADLO CC(F)(F)CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814873 1040181570 /nfs/dbraw/zinc/18/15/70/1040181570.db2.gz IGGKCMWRPOARQS-ZDUSSCGKSA-N 1 2 339.430 3.866 20 0 EHADLO O=C(CCC(F)(F)F)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816878 1040184195 /nfs/dbraw/zinc/18/41/95/1040184195.db2.gz YNWPRFHDEARGSE-GFCCVEGCSA-N 1 2 343.393 3.773 20 0 EHADLO O=C(CCC(F)(F)F)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816878 1040184205 /nfs/dbraw/zinc/18/42/05/1040184205.db2.gz YNWPRFHDEARGSE-GFCCVEGCSA-N 1 2 343.393 3.773 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(C)(F)F ZINC000907816569 1040185376 /nfs/dbraw/zinc/18/53/76/1040185376.db2.gz VLRRNXUZGQOPSR-WCQYABFASA-N 1 2 339.430 3.722 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(C)(F)F ZINC000907816569 1040185380 /nfs/dbraw/zinc/18/53/80/1040185380.db2.gz VLRRNXUZGQOPSR-WCQYABFASA-N 1 2 339.430 3.722 20 0 EHADLO OCC[N@H+](Cc1nc2ccc(F)cc2s1)Cc1cccc(F)c1 ZINC000432927344 1040196367 /nfs/dbraw/zinc/19/63/67/1040196367.db2.gz LIOCXPQSOKAMAY-UHFFFAOYSA-N 1 2 334.391 3.569 20 0 EHADLO OCC[N@@H+](Cc1nc2ccc(F)cc2s1)Cc1cccc(F)c1 ZINC000432927344 1040196374 /nfs/dbraw/zinc/19/63/74/1040196374.db2.gz LIOCXPQSOKAMAY-UHFFFAOYSA-N 1 2 334.391 3.569 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000489874982 1040231982 /nfs/dbraw/zinc/23/19/82/1040231982.db2.gz XPRIOUMMIKGPSJ-RTBURBONSA-N 1 2 339.483 3.641 20 0 EHADLO CCn1c[nH+]cc1CNc1cccc(COCC(F)(F)C(F)F)c1 ZINC000417805599 1040239593 /nfs/dbraw/zinc/23/95/93/1040239593.db2.gz HQTIDUGJQOMNOH-UHFFFAOYSA-N 1 2 345.340 3.932 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(CO)on2)ccc1OCC(C)C ZINC000924815768 1040254544 /nfs/dbraw/zinc/25/45/44/1040254544.db2.gz RFZFOLKOZTVGGP-KGLIPLIRSA-N 1 2 348.443 3.622 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066456 1040278216 /nfs/dbraw/zinc/27/82/16/1040278216.db2.gz PTLOBFPTIFHXPM-MELADBBJSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066456 1040278230 /nfs/dbraw/zinc/27/82/30/1040278230.db2.gz PTLOBFPTIFHXPM-MELADBBJSA-N 1 2 337.464 3.554 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000490049365 1040321303 /nfs/dbraw/zinc/32/13/03/1040321303.db2.gz YDDFADYSTCXGPN-KRWDZBQOSA-N 1 2 334.847 3.787 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000490049365 1040321316 /nfs/dbraw/zinc/32/13/16/1040321316.db2.gz YDDFADYSTCXGPN-KRWDZBQOSA-N 1 2 334.847 3.787 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000490064399 1040329397 /nfs/dbraw/zinc/32/93/97/1040329397.db2.gz SXMWDEJFTPUAGE-MRVPVSSYSA-N 1 2 347.337 3.590 20 0 EHADLO CC(C)=CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000479555118 1040373530 /nfs/dbraw/zinc/37/35/30/1040373530.db2.gz NDCKNLNGORYOQK-CQSZACIVSA-N 1 2 336.505 3.853 20 0 EHADLO CC(C)=CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000479555118 1040373539 /nfs/dbraw/zinc/37/35/39/1040373539.db2.gz NDCKNLNGORYOQK-CQSZACIVSA-N 1 2 336.505 3.853 20 0 EHADLO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000486758073 1040413107 /nfs/dbraw/zinc/41/31/07/1040413107.db2.gz DAPHQKJNOFWHCS-IBGZPJMESA-N 1 2 335.407 3.977 20 0 EHADLO Cc1nc(C(C)C)oc1CNc1nc(C)[nH+]c(C)c1Br ZINC000663929310 1040475158 /nfs/dbraw/zinc/47/51/58/1040475158.db2.gz WMSNAMHTKCDQCC-UHFFFAOYSA-N 1 2 339.237 3.888 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@](=O)C[C@@H](C)C3)o2)cc1 ZINC000433027221 1040492898 /nfs/dbraw/zinc/49/28/98/1040492898.db2.gz JYUUGIXDJNXGOK-WNSKOXEYSA-N 1 2 331.481 3.709 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@](=O)C[C@@H](C)C3)o2)cc1 ZINC000433027221 1040492907 /nfs/dbraw/zinc/49/29/07/1040492907.db2.gz JYUUGIXDJNXGOK-WNSKOXEYSA-N 1 2 331.481 3.709 20 0 EHADLO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1F ZINC000192959723 1040505791 /nfs/dbraw/zinc/50/57/91/1040505791.db2.gz GMGXYGFTWFRGPH-NPMABZOXSA-N 1 2 335.444 3.765 20 0 EHADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1F ZINC000192959723 1040505814 /nfs/dbraw/zinc/50/58/14/1040505814.db2.gz GMGXYGFTWFRGPH-NPMABZOXSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000553832859 1040512383 /nfs/dbraw/zinc/51/23/83/1040512383.db2.gz UMFWSEPIFBLAKB-QGZVFWFLSA-N 1 2 329.444 3.786 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000553832859 1040512402 /nfs/dbraw/zinc/51/24/02/1040512402.db2.gz UMFWSEPIFBLAKB-QGZVFWFLSA-N 1 2 329.444 3.786 20 0 EHADLO CC(C)CNC(=S)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000912969410 1040512630 /nfs/dbraw/zinc/51/26/30/1040512630.db2.gz UZKUJZZSBIXXMP-CQSZACIVSA-N 1 2 339.936 3.549 20 0 EHADLO Oc1ccc(Br)c(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000418109561 1040584934 /nfs/dbraw/zinc/58/49/34/1040584934.db2.gz URWYYCCWPGMGFO-INIZCTEOSA-N 1 2 334.213 3.516 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000553992948 1040649373 /nfs/dbraw/zinc/64/93/73/1040649373.db2.gz QBXNWUBWJMXPKW-LJQANCHMSA-N 1 2 340.492 3.716 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000553992948 1040649381 /nfs/dbraw/zinc/64/93/81/1040649381.db2.gz QBXNWUBWJMXPKW-LJQANCHMSA-N 1 2 340.492 3.716 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000473473872 1040660399 /nfs/dbraw/zinc/66/03/99/1040660399.db2.gz TVNBEVSQTFANNL-IKGGRYGDSA-N 1 2 344.503 3.648 20 0 EHADLO CC(C)c1ccc(C[C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000490661665 1040664470 /nfs/dbraw/zinc/66/44/70/1040664470.db2.gz KCAZFDQPVZGDJQ-INIZCTEOSA-N 1 2 348.450 3.752 20 0 EHADLO Clc1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152236468 1040667124 /nfs/dbraw/zinc/66/71/24/1040667124.db2.gz RHEAEXORZUZKHL-AWEZNQCLSA-N 1 2 346.862 3.594 20 0 EHADLO Clc1ccccc1OCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152236468 1040667139 /nfs/dbraw/zinc/66/71/39/1040667139.db2.gz RHEAEXORZUZKHL-AWEZNQCLSA-N 1 2 346.862 3.594 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cc(=O)oc2c1C ZINC000029533733 1040677363 /nfs/dbraw/zinc/67/73/63/1040677363.db2.gz BWHXKYPXHDFJLQ-FQEVSTJZSA-N 1 2 349.430 3.983 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](c4ccccc4)C3)cc(=O)oc2c1C ZINC000029533733 1040677371 /nfs/dbraw/zinc/67/73/71/1040677371.db2.gz BWHXKYPXHDFJLQ-FQEVSTJZSA-N 1 2 349.430 3.983 20 0 EHADLO CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cc[nH+]c1 ZINC000029594180 1040745913 /nfs/dbraw/zinc/74/59/13/1040745913.db2.gz FPWQWXXLSWYGFQ-UHFFFAOYSA-N 1 2 349.184 3.617 20 0 EHADLO CCOC(=O)c1cccc(C[NH+]2CC(c3cccc(Cl)c3)C2)n1 ZINC000600170110 1040755821 /nfs/dbraw/zinc/75/58/21/1040755821.db2.gz WNWKLMYBUWEVKA-UHFFFAOYSA-N 1 2 330.815 3.511 20 0 EHADLO CC(C)n1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1 ZINC000555528567 1040771015 /nfs/dbraw/zinc/77/10/15/1040771015.db2.gz HOONBIPXSHMFFJ-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(OC)c1 ZINC000364314337 1040771726 /nfs/dbraw/zinc/77/17/26/1040771726.db2.gz OAOQENNURZZQFV-ZUZCIYMTSA-N 1 2 335.350 3.766 20 0 EHADLO Cc1[nH]c(CN2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000600181024 1040786961 /nfs/dbraw/zinc/78/69/61/1040786961.db2.gz PKLODWZVWPAFTI-MRXNPFEDSA-N 1 2 341.455 3.862 20 0 EHADLO CCC[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043001151 1040822244 /nfs/dbraw/zinc/82/22/44/1040822244.db2.gz KHFPHQVPGZXDCH-HRCADAONSA-N 1 2 333.476 3.606 20 0 EHADLO CCC[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043001151 1040822263 /nfs/dbraw/zinc/82/22/63/1040822263.db2.gz KHFPHQVPGZXDCH-HRCADAONSA-N 1 2 333.476 3.606 20 0 EHADLO Cc1ccc(C)c(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000043121536 1040875126 /nfs/dbraw/zinc/87/51/26/1040875126.db2.gz GBGJZEVFZJYQCX-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO CCOc1ccccc1N1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC000092826479 1040891915 /nfs/dbraw/zinc/89/19/15/1040891915.db2.gz GOVILPQRXDKMDL-UHFFFAOYSA-N 1 2 343.496 3.670 20 0 EHADLO FC1(F)C[C@@H]1OCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000664032947 1040897154 /nfs/dbraw/zinc/89/71/54/1040897154.db2.gz KNJRPAGBBTYPMM-INIZCTEOSA-N 1 2 334.366 3.689 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC(C)(C)O1 ZINC000491133772 1040942127 /nfs/dbraw/zinc/94/21/27/1040942127.db2.gz INBFYTDZWWILBJ-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC(C)(C)O1 ZINC000491133772 1040942145 /nfs/dbraw/zinc/94/21/45/1040942145.db2.gz INBFYTDZWWILBJ-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3cccc(F)c3)[nH+]c12 ZINC000586753281 1040997737 /nfs/dbraw/zinc/99/77/37/1040997737.db2.gz ZCRIGVZEYNDNSK-GOSISDBHSA-N 1 2 337.398 3.688 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364382533 1041072360 /nfs/dbraw/zinc/07/23/60/1041072360.db2.gz LBFDFAQFBHMXDQ-MRXNPFEDSA-N 1 2 347.418 3.663 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842323 1041089736 /nfs/dbraw/zinc/08/97/36/1041089736.db2.gz BRCUFRKXDWMIHL-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000759842323 1041089751 /nfs/dbraw/zinc/08/97/51/1041089751.db2.gz BRCUFRKXDWMIHL-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000899782316 1041107232 /nfs/dbraw/zinc/10/72/32/1041107232.db2.gz LWSCNUFAGBKQPL-HNNXBMFYSA-N 1 2 331.460 3.955 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000899782316 1041107240 /nfs/dbraw/zinc/10/72/40/1041107240.db2.gz LWSCNUFAGBKQPL-HNNXBMFYSA-N 1 2 331.460 3.955 20 0 EHADLO CCOc1c(Cl)cc(C[NH+]2CC3(CCC3(F)F)C2)cc1OC ZINC000569894532 1041121920 /nfs/dbraw/zinc/12/19/20/1041121920.db2.gz ARQLPLOUJXNTPD-UHFFFAOYSA-N 1 2 331.790 3.978 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396543 1041129764 /nfs/dbraw/zinc/12/97/64/1041129764.db2.gz GTFYXGSVHUXEEF-QAPCUYQASA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ccc(CC(C)(C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000667907833 1041129763 /nfs/dbraw/zinc/12/97/63/1041129763.db2.gz NFMGVFIVCRQLRS-UHFFFAOYSA-N 1 2 335.451 3.631 20 0 EHADLO CC1(C)C(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1(C)C ZINC000571011192 1041163265 /nfs/dbraw/zinc/16/32/65/1041163265.db2.gz LICUGOHMHZGUOJ-AWEZNQCLSA-N 1 2 344.503 3.543 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000555841977 1041211557 /nfs/dbraw/zinc/21/15/57/1041211557.db2.gz VNIYZQJPYNLGFV-CVEARBPZSA-N 1 2 333.476 3.817 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000481671808 1041215897 /nfs/dbraw/zinc/21/58/97/1041215897.db2.gz QIEYXIRYDLHWIB-NEPJUHHUSA-N 1 2 331.378 3.956 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433293765 1041233891 /nfs/dbraw/zinc/23/38/91/1041233891.db2.gz HRZWJCVRJJGJEN-NSHDSACASA-N 1 2 345.752 3.817 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433293765 1041233913 /nfs/dbraw/zinc/23/39/13/1041233913.db2.gz HRZWJCVRJJGJEN-NSHDSACASA-N 1 2 345.752 3.817 20 0 EHADLO Cc1nc([C@](C)([NH2+]CCOc2cccc(C(C)(C)C)c2)C2CC2)no1 ZINC000433299811 1041238871 /nfs/dbraw/zinc/23/88/71/1041238871.db2.gz CEVRGZQTRVCIHB-HXUWFJFHSA-N 1 2 343.471 3.969 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000571222628 1041240039 /nfs/dbraw/zinc/24/00/39/1041240039.db2.gz HRMHCYVUZNSBEZ-QWHCGFSZSA-N 1 2 340.452 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1nc(-c2ccccc2)cs1 ZINC000571222628 1041240053 /nfs/dbraw/zinc/24/00/53/1041240053.db2.gz HRMHCYVUZNSBEZ-QWHCGFSZSA-N 1 2 340.452 3.589 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)ccc21 ZINC000364423739 1041265837 /nfs/dbraw/zinc/26/58/37/1041265837.db2.gz NLRDQBKIGDFVFD-INIZCTEOSA-N 1 2 336.439 3.695 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnn(CC(C)C)c3C(C)C)ccn12 ZINC000571343285 1041273296 /nfs/dbraw/zinc/27/32/96/1041273296.db2.gz VSPBEGNMHCCISI-UHFFFAOYSA-N 1 2 339.443 3.871 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCC[C@H]1C ZINC001143553989 1041323270 /nfs/dbraw/zinc/32/32/70/1041323270.db2.gz UROPPYWUMBXIKX-AHRSYUTCSA-N 1 2 344.499 3.697 20 0 EHADLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCC[C@H]1C ZINC001143553989 1041323283 /nfs/dbraw/zinc/32/32/83/1041323283.db2.gz UROPPYWUMBXIKX-AHRSYUTCSA-N 1 2 344.499 3.697 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)c1ccc(Cl)cc1 ZINC000066847948 1041363528 /nfs/dbraw/zinc/36/35/28/1041363528.db2.gz GYEOENDPRIMILL-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](c2cccc(F)c2)C1)c1ccc(Cl)cc1 ZINC000066847948 1041363537 /nfs/dbraw/zinc/36/35/37/1041363537.db2.gz GYEOENDPRIMILL-ROUUACIJSA-N 1 2 335.806 3.586 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccccc2F)cn1 ZINC000513021756 1041393991 /nfs/dbraw/zinc/39/39/91/1041393991.db2.gz JGAMLWZBFFFSCV-IBGZPJMESA-N 1 2 327.378 3.920 20 0 EHADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccccc2F)cn1 ZINC000513021756 1041394005 /nfs/dbraw/zinc/39/40/05/1041394005.db2.gz JGAMLWZBFFFSCV-IBGZPJMESA-N 1 2 327.378 3.920 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511704256 1041469190 /nfs/dbraw/zinc/46/91/90/1041469190.db2.gz RZMLGQLDLMBCGC-LJQANCHMSA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000511704256 1041469192 /nfs/dbraw/zinc/46/91/92/1041469192.db2.gz RZMLGQLDLMBCGC-LJQANCHMSA-N 1 2 343.398 3.542 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000109782025 1041490126 /nfs/dbraw/zinc/49/01/26/1041490126.db2.gz MEBBPSQCBNOPTP-LLVKDONJSA-N 1 2 342.424 3.750 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000109782025 1041490129 /nfs/dbraw/zinc/49/01/29/1041490129.db2.gz MEBBPSQCBNOPTP-LLVKDONJSA-N 1 2 342.424 3.750 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c(Cl)nc2ccccn21 ZINC000162795860 1041521426 /nfs/dbraw/zinc/52/14/26/1041521426.db2.gz IORCVOCDYBJCOX-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000511779502 1041598412 /nfs/dbraw/zinc/59/84/12/1041598412.db2.gz VCYLIUWAZRNIHM-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@@H](c3cccs3)C2)oc1C ZINC000292729567 1041601218 /nfs/dbraw/zinc/60/12/18/1041601218.db2.gz VFNYKJQPGKBVDG-XHDPSFHLSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@@H](c3cccs3)C2)oc1C ZINC000292729567 1041601221 /nfs/dbraw/zinc/60/12/21/1041601221.db2.gz VFNYKJQPGKBVDG-XHDPSFHLSA-N 1 2 335.425 3.571 20 0 EHADLO O=C(NCC1=CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000652107468 1041617779 /nfs/dbraw/zinc/61/77/79/1041617779.db2.gz PYNWWZCRIHRULK-UHFFFAOYSA-N 1 2 334.489 3.751 20 0 EHADLO CC(C)(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCC1 ZINC000652110263 1041620009 /nfs/dbraw/zinc/62/00/09/1041620009.db2.gz ADVGZDMREDSANT-UHFFFAOYSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3C[C@H]3C3CC3)n2)C1 ZINC000652113064 1041623303 /nfs/dbraw/zinc/62/33/03/1041623303.db2.gz LVPPNNZWWNAKTE-INWMFGNUSA-N 1 2 348.516 3.543 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3C[C@H]3C3CC3)n2)C1 ZINC000652113064 1041623304 /nfs/dbraw/zinc/62/33/04/1041623304.db2.gz LVPPNNZWWNAKTE-INWMFGNUSA-N 1 2 348.516 3.543 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c(C)o1 ZINC000660617274 1041728489 /nfs/dbraw/zinc/72/84/89/1041728489.db2.gz WNHSVYOKWMCGCC-NSHDSACASA-N 1 2 337.826 3.795 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c(C)o1 ZINC000660617274 1041728495 /nfs/dbraw/zinc/72/84/95/1041728495.db2.gz WNHSVYOKWMCGCC-NSHDSACASA-N 1 2 337.826 3.795 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000660738708 1041797343 /nfs/dbraw/zinc/79/73/43/1041797343.db2.gz CWEYLBWMQQMPQI-GFCCVEGCSA-N 1 2 343.418 3.612 20 0 EHADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000660738708 1041797349 /nfs/dbraw/zinc/79/73/49/1041797349.db2.gz CWEYLBWMQQMPQI-GFCCVEGCSA-N 1 2 343.418 3.612 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000027082905 1041857471 /nfs/dbraw/zinc/85/74/71/1041857471.db2.gz WFTMRAKIWFCICH-UHFFFAOYSA-N 1 2 346.500 3.881 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000027082905 1041857477 /nfs/dbraw/zinc/85/74/77/1041857477.db2.gz WFTMRAKIWFCICH-UHFFFAOYSA-N 1 2 346.500 3.881 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2c1CCC2)c1cccc(F)c1 ZINC000651663699 1041863529 /nfs/dbraw/zinc/86/35/29/1041863529.db2.gz SDEQQOQEMHYNEZ-FQEVSTJZSA-N 1 2 335.426 3.927 20 0 EHADLO CSCC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1nnc2ccccn21 ZINC000164310775 1041971988 /nfs/dbraw/zinc/97/19/88/1041971988.db2.gz WGOCKYGJVIISDS-ZIAGYGMSSA-N 1 2 330.457 3.776 20 0 EHADLO CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000661329701 1042068415 /nfs/dbraw/zinc/06/84/15/1042068415.db2.gz CWFBVCNZSOXJAH-GOSISDBHSA-N 1 2 329.419 3.658 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CCC2(CCCCC2)CC1 ZINC000651862675 1042118176 /nfs/dbraw/zinc/11/81/76/1042118176.db2.gz BPCJHPVZNAHECW-UHFFFAOYSA-N 1 2 329.488 3.771 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000661442559 1042122747 /nfs/dbraw/zinc/12/27/47/1042122747.db2.gz RDCGWEZORRLOGR-UHFFFAOYSA-N 1 2 347.724 3.854 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511881 1042164914 /nfs/dbraw/zinc/16/49/14/1042164914.db2.gz NFEHEIXRAJYFGY-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511881 1042164916 /nfs/dbraw/zinc/16/49/16/1042164916.db2.gz NFEHEIXRAJYFGY-BEFAXECRSA-N 1 2 326.415 3.586 20 0 EHADLO CC[C@H](C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661584090 1042205142 /nfs/dbraw/zinc/20/51/42/1042205142.db2.gz HDJJOCHDSMPWQM-HOTGVXAUSA-N 1 2 332.492 3.545 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)CC1=CCCOC1 ZINC000661654682 1042235341 /nfs/dbraw/zinc/23/53/41/1042235341.db2.gz LWVWEBGSMKUDSJ-LBPRGKRZSA-N 1 2 333.432 3.684 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)CC1=CCCOC1 ZINC000661654682 1042235345 /nfs/dbraw/zinc/23/53/45/1042235345.db2.gz LWVWEBGSMKUDSJ-LBPRGKRZSA-N 1 2 333.432 3.684 20 0 EHADLO Clc1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)ccn1 ZINC000066898810 1042283543 /nfs/dbraw/zinc/28/35/43/1042283543.db2.gz SUMBESJGTQEDJI-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)ccn1 ZINC000066898810 1042283545 /nfs/dbraw/zinc/28/35/45/1042283545.db2.gz SUMBESJGTQEDJI-OAHLLOKOSA-N 1 2 330.815 3.843 20 0 EHADLO Cc1nc(CC[N@@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cs1 ZINC000661736502 1042291679 /nfs/dbraw/zinc/29/16/79/1042291679.db2.gz PHIGUXXOGRAZMC-QGZVFWFLSA-N 1 2 334.460 3.985 20 0 EHADLO Cc1nc(CC[N@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cs1 ZINC000661736502 1042291683 /nfs/dbraw/zinc/29/16/83/1042291683.db2.gz PHIGUXXOGRAZMC-QGZVFWFLSA-N 1 2 334.460 3.985 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000661736248 1042292214 /nfs/dbraw/zinc/29/22/14/1042292214.db2.gz NSONLWSPPIWUFT-QZTJIDSGSA-N 1 2 337.435 3.521 20 0 EHADLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCO[C@@H]1CCCCO1 ZINC000661736248 1042292220 /nfs/dbraw/zinc/29/22/20/1042292220.db2.gz NSONLWSPPIWUFT-QZTJIDSGSA-N 1 2 337.435 3.521 20 0 EHADLO COc1cncc(/C=C/CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000661737088 1042293494 /nfs/dbraw/zinc/29/34/94/1042293494.db2.gz ROQPJTMRXQOBLX-BFJGLSHQSA-N 1 2 342.414 3.706 20 0 EHADLO COc1cncc(/C=C/CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000661737088 1042293499 /nfs/dbraw/zinc/29/34/99/1042293499.db2.gz ROQPJTMRXQOBLX-BFJGLSHQSA-N 1 2 342.414 3.706 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000661738716 1042293536 /nfs/dbraw/zinc/29/35/36/1042293536.db2.gz URFDDDSEKGTMKE-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000661738716 1042293542 /nfs/dbraw/zinc/29/35/42/1042293542.db2.gz URFDDDSEKGTMKE-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc(C(F)(F)F)c1 ZINC001143517123 1042304261 /nfs/dbraw/zinc/30/42/61/1042304261.db2.gz DWFSXRMXRKHMBY-INIZCTEOSA-N 1 2 337.345 3.841 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)cc(C(F)(F)F)c1 ZINC001143517123 1042304264 /nfs/dbraw/zinc/30/42/64/1042304264.db2.gz DWFSXRMXRKHMBY-INIZCTEOSA-N 1 2 337.345 3.841 20 0 EHADLO COc1cncc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000343881087 1042316312 /nfs/dbraw/zinc/31/63/12/1042316312.db2.gz STFJVTCEFFIJCT-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cncc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000343881087 1042316321 /nfs/dbraw/zinc/31/63/21/1042316321.db2.gz STFJVTCEFFIJCT-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO O=C(C[NH+]1CCC([C@H]2CCCCO2)CC1)Nc1ccccc1Cl ZINC000661864989 1042374978 /nfs/dbraw/zinc/37/49/78/1042374978.db2.gz KTMRFHWFFANDRY-QGZVFWFLSA-N 1 2 336.863 3.560 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(-c4nccc(C)n4)cc3)ccn12 ZINC001126171720 1042413703 /nfs/dbraw/zinc/41/37/03/1042413703.db2.gz HGFZEEIOQAPLNL-UHFFFAOYSA-N 1 2 343.390 3.660 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(OC(F)F)cc1 ZINC000048812298 1042421258 /nfs/dbraw/zinc/42/12/58/1042421258.db2.gz LTKVAKWLNIUDRN-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(OC(F)F)cc1 ZINC000048812298 1042421260 /nfs/dbraw/zinc/42/12/60/1042421260.db2.gz LTKVAKWLNIUDRN-UHFFFAOYSA-N 1 2 345.349 3.970 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000661977408 1042442709 /nfs/dbraw/zinc/44/27/09/1042442709.db2.gz XFKXQMJWIZNIRP-KBPBESRZSA-N 1 2 337.448 3.906 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000661977408 1042442711 /nfs/dbraw/zinc/44/27/11/1042442711.db2.gz XFKXQMJWIZNIRP-KBPBESRZSA-N 1 2 337.448 3.906 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000661983170 1042444754 /nfs/dbraw/zinc/44/47/54/1042444754.db2.gz AWFBOTIQPRQMST-ZDUSSCGKSA-N 1 2 347.846 3.924 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000661983170 1042444758 /nfs/dbraw/zinc/44/47/58/1042444758.db2.gz AWFBOTIQPRQMST-ZDUSSCGKSA-N 1 2 347.846 3.924 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996388 1042451618 /nfs/dbraw/zinc/45/16/18/1042451618.db2.gz WFGQSGDLSGWEOS-UHFFFAOYSA-N 1 2 345.874 3.618 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996388 1042451621 /nfs/dbraw/zinc/45/16/21/1042451621.db2.gz WFGQSGDLSGWEOS-UHFFFAOYSA-N 1 2 345.874 3.618 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000652429347 1042470517 /nfs/dbraw/zinc/47/05/17/1042470517.db2.gz KWMBPSDYUZUMNY-OAQYLSRUSA-N 1 2 349.478 3.906 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000184390131 1042498390 /nfs/dbraw/zinc/49/83/90/1042498390.db2.gz OPIXIAPJELCIIO-RWMBFGLXSA-N 1 2 335.498 3.607 20 0 EHADLO Brc1ccc([C@H]2CC[N@@H+]2CCO[C@H]2CCCCO2)cc1 ZINC000662094494 1042514927 /nfs/dbraw/zinc/51/49/27/1042514927.db2.gz MXJDSVPFTOKDSD-CVEARBPZSA-N 1 2 340.261 3.739 20 0 EHADLO Brc1ccc([C@H]2CC[N@H+]2CCO[C@H]2CCCCO2)cc1 ZINC000662094494 1042514931 /nfs/dbraw/zinc/51/49/31/1042514931.db2.gz MXJDSVPFTOKDSD-CVEARBPZSA-N 1 2 340.261 3.739 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000601930312 1042646674 /nfs/dbraw/zinc/64/66/74/1042646674.db2.gz GFLVQTRKHUDCSJ-CHWSQXEVSA-N 1 2 332.400 3.660 20 0 EHADLO Cc1nc(Br)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000186063403 1042648422 /nfs/dbraw/zinc/64/84/22/1042648422.db2.gz UDHQYABNNRTPLW-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161768193 1042684370 /nfs/dbraw/zinc/68/43/70/1042684370.db2.gz LDROOKYDIAJRRZ-UHFFFAOYSA-N 1 2 337.354 3.817 20 0 EHADLO Fc1ccccc1-c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000186775981 1042706366 /nfs/dbraw/zinc/70/63/66/1042706366.db2.gz AEISACTZPZOEGI-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000162323494 1042720440 /nfs/dbraw/zinc/72/04/40/1042720440.db2.gz LXNPFZZLKAEGDG-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2cccc(F)c2OC)CC1 ZINC001143524196 1042744724 /nfs/dbraw/zinc/74/47/24/1042744724.db2.gz DSXQURCOPVASEP-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(F)ccc2F)c(OC)c1 ZINC000121311629 1042758025 /nfs/dbraw/zinc/75/80/25/1042758025.db2.gz HCFQCTQGOAOUAD-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO CN(c1ccccc1)c1cc(NCc2ccn3cc[nH+]c3c2)ncn1 ZINC000432309972 1042760003 /nfs/dbraw/zinc/76/00/03/1042760003.db2.gz DDVIKKPPXDMNJM-UHFFFAOYSA-N 1 2 330.395 3.504 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000162930270 1042771740 /nfs/dbraw/zinc/77/17/40/1042771740.db2.gz JWFXMICHIBPVEY-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000162930270 1042771744 /nfs/dbraw/zinc/77/17/44/1042771744.db2.gz JWFXMICHIBPVEY-LBPRGKRZSA-N 1 2 336.892 3.961 20 0 EHADLO COc1nnc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC000931695059 1042863968 /nfs/dbraw/zinc/86/39/68/1042863968.db2.gz PPDACADZXMGPDE-UHFFFAOYSA-N 1 2 331.363 3.590 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000343938020 1042882530 /nfs/dbraw/zinc/88/25/30/1042882530.db2.gz VEXBTQSQUNSCSW-QAPCUYQASA-N 1 2 341.455 3.504 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)CCC2 ZINC000066962812 1042883882 /nfs/dbraw/zinc/88/38/82/1042883882.db2.gz SLXXJADBSDLKAO-UHFFFAOYSA-N 1 2 332.407 3.683 20 0 EHADLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(C)(C)c1ccccc1 ZINC001143528620 1043012963 /nfs/dbraw/zinc/01/29/63/1043012963.db2.gz RSCMYLHWEBBNSF-OAHLLOKOSA-N 1 2 349.434 3.674 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007018470 1043017210 /nfs/dbraw/zinc/01/72/10/1043017210.db2.gz CPFOCBSKPZPFLQ-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007018470 1043017212 /nfs/dbraw/zinc/01/72/12/1043017212.db2.gz CPFOCBSKPZPFLQ-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1ccccc1O[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000343985791 1043060397 /nfs/dbraw/zinc/06/03/97/1043060397.db2.gz MVDCTFOOWAJLRH-INIZCTEOSA-N 1 2 339.439 3.719 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000344020784 1043112934 /nfs/dbraw/zinc/11/29/34/1043112934.db2.gz PDCNOKHDVXQARY-HYVNUMGLSA-N 1 2 341.480 3.579 20 0 EHADLO C[NH+](C)Cc1csc(CNCc2cc(Cl)sc2Cl)n1 ZINC000722401474 1043206135 /nfs/dbraw/zinc/20/61/35/1043206135.db2.gz BQDFIBZRRDSVBE-UHFFFAOYSA-N 1 2 336.313 3.863 20 0 EHADLO CCc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279039190 1043240136 /nfs/dbraw/zinc/24/01/36/1043240136.db2.gz XSFWRUAWQYWOKB-UHFFFAOYSA-N 1 2 337.467 3.802 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000344114055 1043275868 /nfs/dbraw/zinc/27/58/68/1043275868.db2.gz RTHCXTOKCHOIDW-VMWRSERWSA-N 1 2 340.471 3.664 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000344114055 1043275880 /nfs/dbraw/zinc/27/58/80/1043275880.db2.gz RTHCXTOKCHOIDW-VMWRSERWSA-N 1 2 340.471 3.664 20 0 EHADLO Cc1cccn2cc(Cc3noc(/C=C\c4ccc(F)cc4)n3)[nH+]c12 ZINC000544691128 1043401736 /nfs/dbraw/zinc/40/17/36/1043401736.db2.gz INWABTPEZYHESE-TWGQIWQCSA-N 1 2 334.354 3.926 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000279179664 1043510115 /nfs/dbraw/zinc/51/01/15/1043510115.db2.gz LWDDOAFEYOWJEC-REWJHTLYSA-N 1 2 349.887 3.811 20 0 EHADLO CCCCC[C@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687199 1043559307 /nfs/dbraw/zinc/55/93/07/1043559307.db2.gz UNDYBJXSLAXIGS-SFHVURJKSA-N 1 2 346.519 3.906 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCCc2occc2C1 ZINC000344288303 1043599361 /nfs/dbraw/zinc/59/93/61/1043599361.db2.gz LWUFKIPAMDZBRT-CQSZACIVSA-N 1 2 342.464 3.555 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCCc2occc2C1 ZINC000344288303 1043599372 /nfs/dbraw/zinc/59/93/72/1043599372.db2.gz LWUFKIPAMDZBRT-CQSZACIVSA-N 1 2 342.464 3.555 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438652 1043757520 /nfs/dbraw/zinc/75/75/20/1043757520.db2.gz KMNKDKPVYPVSDT-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438652 1043757527 /nfs/dbraw/zinc/75/75/27/1043757527.db2.gz KMNKDKPVYPVSDT-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H]1CCN(c2cc(Nc3ccccc3)ncn2)C[C@H]1n1cc[nH+]c1 ZINC000663714419 1043788641 /nfs/dbraw/zinc/78/86/41/1043788641.db2.gz UITCRYKNDCVUGT-DOTOQJQBSA-N 1 2 334.427 3.504 20 0 EHADLO CC(C)COc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000344372594 1043803183 /nfs/dbraw/zinc/80/31/83/1043803183.db2.gz HJLPGFFJSNVRIP-UHFFFAOYSA-N 1 2 336.395 3.554 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1ncc(Br)cc1F ZINC000187134381 1043852303 /nfs/dbraw/zinc/85/23/03/1043852303.db2.gz IFCPZADLARWZSJ-VIFPVBQESA-N 1 2 325.181 3.540 20 0 EHADLO COc1cc(C[N@H+](Cc2cc(C)cnc2Cl)C2CC2)ccc1O ZINC000893686024 1043877811 /nfs/dbraw/zinc/87/78/11/1043877811.db2.gz BAEGPYLUPKNKSQ-UHFFFAOYSA-N 1 2 332.831 3.922 20 0 EHADLO COc1cc(C[N@@H+](Cc2cc(C)cnc2Cl)C2CC2)ccc1O ZINC000893686024 1043877828 /nfs/dbraw/zinc/87/78/28/1043877828.db2.gz BAEGPYLUPKNKSQ-UHFFFAOYSA-N 1 2 332.831 3.922 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001139731932 1043937028 /nfs/dbraw/zinc/93/70/28/1043937028.db2.gz FAGDGTOEBPYOHP-IEBWSBKVSA-N 1 2 326.525 3.552 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(C(F)F)c2)c1C ZINC000344395489 1043945745 /nfs/dbraw/zinc/94/57/45/1043945745.db2.gz FXGZTBWKMGKQDR-UHFFFAOYSA-N 1 2 348.393 3.846 20 0 EHADLO O=C(N[C@@H]1C=CCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247663745 1044128276 /nfs/dbraw/zinc/12/82/76/1044128276.db2.gz YHYURIDAGVBODY-NEWSRXKRSA-N 1 2 336.439 3.520 20 0 EHADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)CCC(F)(F)F ZINC000344583217 1044158778 /nfs/dbraw/zinc/15/87/78/1044158778.db2.gz NOMJDYXCAZTGHW-FQEVSTJZSA-N 1 2 348.217 3.985 20 0 EHADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)CCC(F)(F)F ZINC000344583217 1044158780 /nfs/dbraw/zinc/15/87/80/1044158780.db2.gz NOMJDYXCAZTGHW-FQEVSTJZSA-N 1 2 348.217 3.985 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc(C2CC2)cs1 ZINC000279550814 1044221763 /nfs/dbraw/zinc/22/17/63/1044221763.db2.gz AFXWABXZRBWIII-UHFFFAOYSA-N 1 2 348.378 3.596 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279558572 1044230276 /nfs/dbraw/zinc/23/02/76/1044230276.db2.gz RNRNHLDNEYADQL-VXGBXAGGSA-N 1 2 343.456 3.657 20 0 EHADLO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279558559 1044230381 /nfs/dbraw/zinc/23/03/81/1044230381.db2.gz RNRNHLDNEYADQL-NWDGAFQWSA-N 1 2 343.456 3.657 20 0 EHADLO CC(C)n1nccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000279578612 1044249351 /nfs/dbraw/zinc/24/93/51/1044249351.db2.gz GPUCTZROXPCSHC-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO CC(C)n1nccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000279578612 1044249365 /nfs/dbraw/zinc/24/93/65/1044249365.db2.gz GPUCTZROXPCSHC-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279769805 1044565581 /nfs/dbraw/zinc/56/55/81/1044565581.db2.gz GBZWWIGEBHVKNN-OAHLLOKOSA-N 1 2 334.485 3.615 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279769805 1044565596 /nfs/dbraw/zinc/56/55/96/1044565596.db2.gz GBZWWIGEBHVKNN-OAHLLOKOSA-N 1 2 334.485 3.615 20 0 EHADLO Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000888939404 1044633627 /nfs/dbraw/zinc/63/36/27/1044633627.db2.gz MZTCPKODEQRATP-UHFFFAOYSA-N 1 2 326.425 3.548 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000614001572 1044658505 /nfs/dbraw/zinc/65/85/05/1044658505.db2.gz YFGVACNQAYTXNR-SFHVURJKSA-N 1 2 343.446 3.553 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1=O ZINC000344972573 1044757538 /nfs/dbraw/zinc/75/75/38/1044757538.db2.gz GQYGKSWRPJQENU-CABCVRRESA-N 1 2 349.434 3.546 20 0 EHADLO C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCc2ccccc21 ZINC000153749875 1125656728 /nfs/dbraw/zinc/65/67/28/1125656728.db2.gz IJKMGCXSRPSNHB-QFIPXVFZSA-N 1 2 349.478 3.592 20 0 EHADLO COCCOc1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000267592742 1125736225 /nfs/dbraw/zinc/73/62/25/1125736225.db2.gz AWQJNWGPLDJPPK-UHFFFAOYSA-N 1 2 337.423 3.818 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C)C(C)(C)C)cn2c1 ZINC000734444403 1131236678 /nfs/dbraw/zinc/23/66/78/1131236678.db2.gz ZGBQJOGVTPNGHD-CQSZACIVSA-N 1 2 333.501 3.674 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000622541934 1126717742 /nfs/dbraw/zinc/71/77/42/1126717742.db2.gz LAWCJUHOLPXDIK-MRXNPFEDSA-N 1 2 349.434 3.830 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000622541934 1126717743 /nfs/dbraw/zinc/71/77/43/1126717743.db2.gz LAWCJUHOLPXDIK-MRXNPFEDSA-N 1 2 349.434 3.830 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)c[nH+]1 ZINC000622667805 1126744478 /nfs/dbraw/zinc/74/44/78/1126744478.db2.gz UEMLVSNJADBJQG-UHFFFAOYSA-N 1 2 341.798 3.937 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172326049 1126789236 /nfs/dbraw/zinc/78/92/36/1126789236.db2.gz IWBRKAUNHVJIPF-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000671242944 1126811826 /nfs/dbraw/zinc/81/18/26/1126811826.db2.gz XIYGHOVVYPGAIG-BMFZPTHFSA-N 1 2 329.444 3.527 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000671242944 1126811827 /nfs/dbraw/zinc/81/18/27/1126811827.db2.gz XIYGHOVVYPGAIG-BMFZPTHFSA-N 1 2 329.444 3.527 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1 ZINC000336894019 1126814852 /nfs/dbraw/zinc/81/48/52/1126814852.db2.gz LKFMJRHMFIPQED-MRVPVSSYSA-N 1 2 330.862 3.886 20 0 EHADLO C[C@H]([NH2+]CC1(O)CCCCC1)c1cc(Br)cc(F)c1O ZINC000185273469 1126847695 /nfs/dbraw/zinc/84/76/95/1126847695.db2.gz JOLNPVGBFMTZJL-JTQLQIEISA-N 1 2 346.240 3.640 20 0 EHADLO O=C(N[C@H](C(F)F)C1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000623009375 1126855245 /nfs/dbraw/zinc/85/52/45/1126855245.db2.gz ROZPEVLVTXWSIW-KRWDZBQOSA-N 1 2 347.409 3.875 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000623121729 1126880377 /nfs/dbraw/zinc/88/03/77/1126880377.db2.gz GHURKGQCLYRMBU-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000623121729 1126880378 /nfs/dbraw/zinc/88/03/78/1126880378.db2.gz GHURKGQCLYRMBU-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CCN(CC)[C@H](C[NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000175983359 1126892916 /nfs/dbraw/zinc/89/29/16/1126892916.db2.gz HGZQJZRPDAPEML-GOSISDBHSA-N 1 2 338.455 3.842 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cnc2ccsc2c1 ZINC000623233658 1126900555 /nfs/dbraw/zinc/90/05/55/1126900555.db2.gz HJLNWXVRDBVFEU-XIKOKIGWSA-N 1 2 337.448 3.660 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCc3ccc(F)c(Br)c3C2)CO1 ZINC000623255364 1126903837 /nfs/dbraw/zinc/90/38/37/1126903837.db2.gz CNRBEOOTYYIEDJ-NSHDSACASA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCc3ccc(F)c(Br)c3C2)CO1 ZINC000623255364 1126903841 /nfs/dbraw/zinc/90/38/41/1126903841.db2.gz CNRBEOOTYYIEDJ-NSHDSACASA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)o2)c1 ZINC000623263004 1126907910 /nfs/dbraw/zinc/90/79/10/1126907910.db2.gz YIFAZXVCSCSTMF-INIZCTEOSA-N 1 2 335.407 3.621 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCCOc1ccccc1-c1ccccc1 ZINC000623284768 1126909987 /nfs/dbraw/zinc/90/99/87/1126909987.db2.gz LNHMJHYHQJGTIJ-UHFFFAOYSA-N 1 2 349.434 3.526 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1Oc1ccccc1 ZINC000623291015 1126911808 /nfs/dbraw/zinc/91/18/08/1126911808.db2.gz UCDNGSDABQUZLR-UHFFFAOYSA-N 1 2 335.407 3.772 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000623344551 1126923351 /nfs/dbraw/zinc/92/33/51/1126923351.db2.gz SDKXEHLORJGNEC-SECBINFHSA-N 1 2 326.347 3.660 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918637 1126934128 /nfs/dbraw/zinc/93/41/28/1126934128.db2.gz TVQYBFVOZYDTJP-DZGCQCFKSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000072918637 1126934129 /nfs/dbraw/zinc/93/41/29/1126934129.db2.gz TVQYBFVOZYDTJP-DZGCQCFKSA-N 1 2 343.500 3.889 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)nc1-c1ccncc1 ZINC000072918381 1126934427 /nfs/dbraw/zinc/93/44/27/1126934427.db2.gz HZFYOERKXOCJFL-HOCLYGCPSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2C[C@@H](C)C[C@@H]2CC)nc1-c1ccncc1 ZINC000072918381 1126934429 /nfs/dbraw/zinc/93/44/29/1126934429.db2.gz HZFYOERKXOCJFL-HOCLYGCPSA-N 1 2 345.516 3.964 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2nnc(C)o2)C(C)C)cc1OCC ZINC000192961882 1126950706 /nfs/dbraw/zinc/95/07/06/1126950706.db2.gz AIIUEUWHMPLBFO-SFHVURJKSA-N 1 2 333.432 3.662 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422228 1126950955 /nfs/dbraw/zinc/95/09/55/1126950955.db2.gz NKQLVEBYPSDARB-YLJYHZDGSA-N 1 2 329.532 3.674 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1-n1cccn1 ZINC000177090330 1126972754 /nfs/dbraw/zinc/97/27/54/1126972754.db2.gz KUMHMGGDZAMERQ-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1-n1cccn1 ZINC000177090330 1126972757 /nfs/dbraw/zinc/97/27/57/1126972757.db2.gz KUMHMGGDZAMERQ-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO Cc1ccc([C@H]([NH2+][C@H]2CCN(C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC000177196102 1126979121 /nfs/dbraw/zinc/97/91/21/1126979121.db2.gz PXBPTMOQBUAQFY-ROUUACIJSA-N 1 2 346.833 3.697 20 0 EHADLO FC(F)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000623658501 1127006824 /nfs/dbraw/zinc/00/68/24/1127006824.db2.gz WSHMGAUWAZSSOR-GOSISDBHSA-N 1 2 342.393 3.623 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3coc(C4CCCCC4)n3)n2)C1 ZINC000349641147 1127045693 /nfs/dbraw/zinc/04/56/93/1127045693.db2.gz IAGAFOLXPILEOI-HNNXBMFYSA-N 1 2 346.431 3.554 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3coc(C4CCCCC4)n3)n2)C1 ZINC000349641147 1127045697 /nfs/dbraw/zinc/04/56/97/1127045697.db2.gz IAGAFOLXPILEOI-HNNXBMFYSA-N 1 2 346.431 3.554 20 0 EHADLO c1cn(Cc2cccc(-c3noc([C@H]4CCCSC4)n3)c2)c[nH+]1 ZINC000350415724 1127076039 /nfs/dbraw/zinc/07/60/39/1127076039.db2.gz NVUNODKEPWSCBZ-HNNXBMFYSA-N 1 2 326.425 3.592 20 0 EHADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180606119 1127176622 /nfs/dbraw/zinc/17/66/22/1127176622.db2.gz ZVRUCSFKYDYHRJ-CYBMUJFWSA-N 1 2 339.370 3.917 20 0 EHADLO CCOc1ccc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cc1Cl ZINC000351455836 1127178816 /nfs/dbraw/zinc/17/88/16/1127178816.db2.gz HTDVXPZIZONHLE-NSHDSACASA-N 1 2 332.791 3.789 20 0 EHADLO Clc1ccc2nc(NC3CCN(c4cccc[nH+]4)CC3)cnc2c1 ZINC000623860197 1127200125 /nfs/dbraw/zinc/20/01/25/1127200125.db2.gz MHWDXDFMJWDLEA-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO c1ccc2c(c1)CN(c1cc[nH+]c(N(Cc3cccnc3)C3CC3)n1)C2 ZINC000623883725 1127206006 /nfs/dbraw/zinc/20/60/06/1127206006.db2.gz KUYVFKFPAXEKTF-UHFFFAOYSA-N 1 2 343.434 3.561 20 0 EHADLO C[C@@H](c1ccccn1)N(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623901472 1127209918 /nfs/dbraw/zinc/20/99/18/1127209918.db2.gz ITLKSILDZFSLJK-HNNXBMFYSA-N 1 2 331.423 3.589 20 0 EHADLO Cc1csc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000623954320 1127221521 /nfs/dbraw/zinc/22/15/21/1127221521.db2.gz JMYUZQWZMKEQOS-MJBXVCDLSA-N 1 2 332.473 3.633 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)n1 ZINC000623978978 1127226827 /nfs/dbraw/zinc/22/68/27/1127226827.db2.gz MBLDETANXXADDP-RDJZCZTQSA-N 1 2 339.464 3.705 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc(C)sc1C ZINC000624009074 1127231334 /nfs/dbraw/zinc/23/13/34/1127231334.db2.gz OFJNHPMKDCEGES-CABCVRRESA-N 1 2 334.489 3.966 20 0 EHADLO c1[nH+]cn2c1c(N1CCC(c3ccccn3)CC1)nc1ccccc12 ZINC000624060809 1127246710 /nfs/dbraw/zinc/24/67/10/1127246710.db2.gz HWLBMMBKSOWPHW-UHFFFAOYSA-N 1 2 329.407 3.662 20 0 EHADLO COCc1ccc([C@@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)o1 ZINC000624107681 1127252664 /nfs/dbraw/zinc/25/26/64/1127252664.db2.gz SVOVBOAHCVWKDG-KRWDZBQOSA-N 1 2 348.406 3.963 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624155779 1127259432 /nfs/dbraw/zinc/25/94/32/1127259432.db2.gz DJIVVRBLBFCZQL-CYBMUJFWSA-N 1 2 326.366 3.694 20 0 EHADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(Sc2ccccc2)c1 ZINC000181620460 1127285789 /nfs/dbraw/zinc/28/57/89/1127285789.db2.gz WERMVIUFJQNLRW-UHFFFAOYSA-N 1 2 337.448 3.773 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)cc1F ZINC000181762254 1127294988 /nfs/dbraw/zinc/29/49/88/1127294988.db2.gz QLXHXTKNGRDBIV-QGZVFWFLSA-N 1 2 334.414 3.848 20 0 EHADLO Fc1cccc(Cc2nnc(NCc3cccc4[nH+]ccn43)s2)c1 ZINC000181820067 1127297708 /nfs/dbraw/zinc/29/77/08/1127297708.db2.gz DYNWFGLDTODVIZ-UHFFFAOYSA-N 1 2 339.399 3.528 20 0 EHADLO c1cn(-c2ccc(CNc3nnc(CC4CCCCC4)o3)cc2)c[nH+]1 ZINC000181971492 1127305923 /nfs/dbraw/zinc/30/59/23/1127305923.db2.gz GOESTTAFUYNCQA-UHFFFAOYSA-N 1 2 337.427 3.990 20 0 EHADLO C[C@H](c1ccccc1Br)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443827 1127333612 /nfs/dbraw/zinc/33/36/12/1127333612.db2.gz GLDHTLCFYCOHRU-LLVKDONJSA-N 1 2 335.249 3.508 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnc(C)n3C3CC3)oc21 ZINC000182651711 1127341546 /nfs/dbraw/zinc/34/15/46/1127341546.db2.gz LFEGIOMFCLXBAL-GFCCVEGCSA-N 1 2 340.427 3.917 20 0 EHADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000182912890 1127354458 /nfs/dbraw/zinc/35/44/58/1127354458.db2.gz VUOBKLZZXIJNEL-ZDUSSCGKSA-N 1 2 339.370 3.956 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2nccn2C)c(OC(F)F)c1 ZINC000183124073 1127364136 /nfs/dbraw/zinc/36/41/36/1127364136.db2.gz JUVLYFFIZPUAOI-GFCCVEGCSA-N 1 2 339.386 3.661 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1 ZINC000183066769 1127361683 /nfs/dbraw/zinc/36/16/83/1127361683.db2.gz WWVJKMYDNBIKOJ-CMJOXMDJSA-N 1 2 346.477 3.613 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183981929 1127391571 /nfs/dbraw/zinc/39/15/71/1127391571.db2.gz PXMVOHXFMHLZSF-LBPRGKRZSA-N 1 2 345.468 3.506 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184160279 1127396258 /nfs/dbraw/zinc/39/62/58/1127396258.db2.gz QSXDRTOFVODVDU-QWHCGFSZSA-N 1 2 333.457 3.528 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)s1 ZINC000184975495 1127417207 /nfs/dbraw/zinc/41/72/07/1127417207.db2.gz XXBSVDJTTTVBPJ-OAHLLOKOSA-N 1 2 345.512 3.929 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1nccs1 ZINC000185040577 1127418873 /nfs/dbraw/zinc/41/88/73/1127418873.db2.gz FRTAZHLYFZOVHA-SMDDNHRTSA-N 1 2 337.876 3.715 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000185056952 1127419408 /nfs/dbraw/zinc/41/94/08/1127419408.db2.gz PNPBMFJOSLZPDD-LBPRGKRZSA-N 1 2 343.374 3.841 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000185105690 1127420431 /nfs/dbraw/zinc/42/04/31/1127420431.db2.gz ZRMTYMIPXLKQTE-HNNXBMFYSA-N 1 2 331.485 3.947 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1nccs1 ZINC000185104477 1127420548 /nfs/dbraw/zinc/42/05/48/1127420548.db2.gz KDYICKLJTJJPEX-GDBMZVCRSA-N 1 2 331.485 3.678 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000193155945 1127433892 /nfs/dbraw/zinc/43/38/92/1127433892.db2.gz DUYQKDSWHHFYEJ-CQSZACIVSA-N 1 2 331.485 3.731 20 0 EHADLO CC[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000764180226 1127457983 /nfs/dbraw/zinc/45/79/83/1127457983.db2.gz ZRROXHCHEQYQCV-MRXNPFEDSA-N 1 2 342.405 3.507 20 0 EHADLO CC[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccc(F)cc1 ZINC000764180226 1127457985 /nfs/dbraw/zinc/45/79/85/1127457985.db2.gz ZRROXHCHEQYQCV-MRXNPFEDSA-N 1 2 342.405 3.507 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032313 1127565091 /nfs/dbraw/zinc/56/50/91/1127565091.db2.gz UPTTXUQIBUMCDN-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032313 1127565092 /nfs/dbraw/zinc/56/50/92/1127565092.db2.gz UPTTXUQIBUMCDN-RYUDHWBXSA-N 1 2 336.892 3.959 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058804 1127568319 /nfs/dbraw/zinc/56/83/19/1127568319.db2.gz YODNBWDMDZMUOJ-UONOGXRCSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000765058804 1127568322 /nfs/dbraw/zinc/56/83/22/1127568322.db2.gz YODNBWDMDZMUOJ-UONOGXRCSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@@H]([N@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C1(C)CC1 ZINC000765069512 1127569861 /nfs/dbraw/zinc/56/98/61/1127569861.db2.gz ZFYFNJJNJAIADX-CQSZACIVSA-N 1 2 346.500 3.608 20 0 EHADLO C[C@@H]([N@@H+](C)Cn1nc(COc2ccccc2)n(C)c1=S)C1(C)CC1 ZINC000765069512 1127569863 /nfs/dbraw/zinc/56/98/63/1127569863.db2.gz ZFYFNJJNJAIADX-CQSZACIVSA-N 1 2 346.500 3.608 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765063376 1127571475 /nfs/dbraw/zinc/57/14/75/1127571475.db2.gz YPZKERUHOCXLSA-OLZOCXBDSA-N 1 2 334.464 3.928 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765063376 1127571477 /nfs/dbraw/zinc/57/14/77/1127571477.db2.gz YPZKERUHOCXLSA-OLZOCXBDSA-N 1 2 334.464 3.928 20 0 EHADLO CC(C)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC001127835038 1127584325 /nfs/dbraw/zinc/58/43/25/1127584325.db2.gz WPWYLMANGZMALF-KRWDZBQOSA-N 1 2 328.481 3.863 20 0 EHADLO CC(C)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC001127835038 1127584328 /nfs/dbraw/zinc/58/43/28/1127584328.db2.gz WPWYLMANGZMALF-KRWDZBQOSA-N 1 2 328.481 3.863 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000542650727 1127636285 /nfs/dbraw/zinc/63/62/85/1127636285.db2.gz SULDHSJIDIVDTI-KKUMJFAQSA-N 1 2 337.423 3.744 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000015294233 1127651742 /nfs/dbraw/zinc/65/17/42/1127651742.db2.gz KWAHHRFRMGYZJF-LBPRGKRZSA-N 1 2 334.872 3.811 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000015294233 1127651744 /nfs/dbraw/zinc/65/17/44/1127651744.db2.gz KWAHHRFRMGYZJF-LBPRGKRZSA-N 1 2 334.872 3.811 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000016563813 1127663559 /nfs/dbraw/zinc/66/35/59/1127663559.db2.gz JNZIRSKVXRIJNS-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000016563813 1127663562 /nfs/dbraw/zinc/66/35/62/1127663562.db2.gz JNZIRSKVXRIJNS-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F ZINC000017289684 1127667467 /nfs/dbraw/zinc/66/74/67/1127667467.db2.gz BKVGPOWVEYWWIS-KPZWWZAWSA-N 1 2 330.378 3.635 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)OCCCO2 ZINC000921535254 1127677914 /nfs/dbraw/zinc/67/79/14/1127677914.db2.gz ZZRJVFCVDPIPMP-CYBMUJFWSA-N 1 2 330.428 3.984 20 0 EHADLO CCN(CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000024050476 1127701915 /nfs/dbraw/zinc/70/19/15/1127701915.db2.gz UAOBULRBOFHBGC-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccc(Cl)cn1 ZINC000355495908 1127716664 /nfs/dbraw/zinc/71/66/64/1127716664.db2.gz FSXPIIVQEHWANX-UHFFFAOYSA-N 1 2 326.787 3.615 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029826297 1127808928 /nfs/dbraw/zinc/80/89/28/1127808928.db2.gz HBCJXKNBLZTBIY-LBPRGKRZSA-N 1 2 330.819 3.594 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029826297 1127808929 /nfs/dbraw/zinc/80/89/29/1127808929.db2.gz HBCJXKNBLZTBIY-LBPRGKRZSA-N 1 2 330.819 3.594 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000030029111 1127813996 /nfs/dbraw/zinc/81/39/96/1127813996.db2.gz SFSXCSLKXHNIER-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000030029111 1127814002 /nfs/dbraw/zinc/81/40/02/1127814002.db2.gz SFSXCSLKXHNIER-QGZVFWFLSA-N 1 2 332.806 3.608 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196817 1127816212 /nfs/dbraw/zinc/81/62/12/1127816212.db2.gz HURJFTJJGLSYOE-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1)c1cccc2ccccc21 ZINC000030196817 1127816213 /nfs/dbraw/zinc/81/62/13/1127816213.db2.gz HURJFTJJGLSYOE-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](C)c2cccc(F)c2)c1C ZINC000172286875 1127872909 /nfs/dbraw/zinc/87/29/09/1127872909.db2.gz HZXSEJQADDYNNP-ZDUSSCGKSA-N 1 2 344.430 3.998 20 0 EHADLO CC[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399559 1127875596 /nfs/dbraw/zinc/87/55/96/1127875596.db2.gz MORTVVUVYUOMNW-WFASDCNBSA-N 1 2 326.843 3.778 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC001670893456 1127880596 /nfs/dbraw/zinc/88/05/96/1127880596.db2.gz XBNRLRIVJOTYQI-QZTJIDSGSA-N 1 2 343.402 3.535 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042297752 1127889249 /nfs/dbraw/zinc/88/92/49/1127889249.db2.gz ODOQFQPKAREXAD-SJORKVTESA-N 1 2 340.467 3.701 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042297752 1127889258 /nfs/dbraw/zinc/88/92/58/1127889258.db2.gz ODOQFQPKAREXAD-SJORKVTESA-N 1 2 340.467 3.701 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cc(Cl)ccc1Cl ZINC000043154835 1127912801 /nfs/dbraw/zinc/91/28/01/1127912801.db2.gz LVAVVMWSDMSWKD-UHFFFAOYSA-N 1 2 325.199 3.622 20 0 EHADLO Clc1cccc2c(Nc3ccc[nH+]c3N3CCOCC3)ccnc12 ZINC001212354336 1127926126 /nfs/dbraw/zinc/92/61/26/1127926126.db2.gz PJYGMCFMSGXBMA-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1sccc1Cl ZINC000338638342 1127954098 /nfs/dbraw/zinc/95/40/98/1127954098.db2.gz VECHCWITQNIMNK-UHFFFAOYSA-N 1 2 342.917 3.910 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1sccc1Cl ZINC000338638342 1127954103 /nfs/dbraw/zinc/95/41/03/1127954103.db2.gz VECHCWITQNIMNK-UHFFFAOYSA-N 1 2 342.917 3.910 20 0 EHADLO CCCc1nc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2o1 ZINC001212360498 1127980213 /nfs/dbraw/zinc/98/02/13/1127980213.db2.gz UIILLAJOVGSFNL-UHFFFAOYSA-N 1 2 338.411 3.756 20 0 EHADLO Cc1ccnn1-c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000047533696 1128010131 /nfs/dbraw/zinc/01/01/31/1128010131.db2.gz NQWNSNSMLICLTI-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000056664852 1128025484 /nfs/dbraw/zinc/02/54/84/1128025484.db2.gz CVYIQQTVTUZDFH-UZLBHIALSA-N 1 2 348.450 3.972 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccs3)no2)ccn1 ZINC000347523041 1128035703 /nfs/dbraw/zinc/03/57/03/1128035703.db2.gz AZSRBWMYUUFXJA-WDEREUQCSA-N 1 2 330.413 3.614 20 0 EHADLO COc1ccc(C[NH2+]Cc2ccc(Cl)o2)c(Br)c1 ZINC000671706505 1128034029 /nfs/dbraw/zinc/03/40/29/1128034029.db2.gz MVGOCPMXBZIKRT-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO c1cncc(Oc2cccc(Nc3ccc[nH+]c3N3CCOCC3)c2)c1 ZINC001212366681 1128045254 /nfs/dbraw/zinc/04/52/54/1128045254.db2.gz UXCGQEZZXMDATR-UHFFFAOYSA-N 1 2 348.406 3.849 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccs1 ZINC000057394065 1128047172 /nfs/dbraw/zinc/04/71/72/1128047172.db2.gz VGLYIMYLDFGYFS-AWEZNQCLSA-N 1 2 332.473 3.642 20 0 EHADLO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc2n[nH]cc21 ZINC000347532442 1128048019 /nfs/dbraw/zinc/04/80/19/1128048019.db2.gz XITOHVNSRCCOIG-KRWDZBQOSA-N 1 2 342.830 3.766 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)cc1C ZINC001212368454 1128058328 /nfs/dbraw/zinc/05/83/28/1128058328.db2.gz CWSMATKLKXKPEG-UHFFFAOYSA-N 1 2 333.819 3.632 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000058298101 1128065764 /nfs/dbraw/zinc/06/57/64/1128065764.db2.gz QMCLCMLVUWTUBY-AWEZNQCLSA-N 1 2 331.847 3.553 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)ccn1 ZINC000347550375 1128069317 /nfs/dbraw/zinc/06/93/17/1128069317.db2.gz CKQYUPUGCWLCAB-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)cc2F)c1C ZINC000058514540 1128070414 /nfs/dbraw/zinc/07/04/14/1128070414.db2.gz CENHEAUQCVUWTC-UHFFFAOYSA-N 1 2 335.354 3.649 20 0 EHADLO C=CCCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186186100 1128072469 /nfs/dbraw/zinc/07/24/69/1128072469.db2.gz PQBYSGIRRASJTD-JTQLQIEISA-N 1 2 332.213 3.537 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000060471364 1128095995 /nfs/dbraw/zinc/09/59/95/1128095995.db2.gz NHBIJQNRWTULPT-XQQFMLRXSA-N 1 2 328.909 3.726 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000060471364 1128095997 /nfs/dbraw/zinc/09/59/97/1128095997.db2.gz NHBIJQNRWTULPT-XQQFMLRXSA-N 1 2 328.909 3.726 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2cn3ccsc3n2)C[C@@H]2CCCO2)c1 ZINC000060372434 1128098903 /nfs/dbraw/zinc/09/89/03/1128098903.db2.gz GBBRNMQFGYECQE-KRWDZBQOSA-N 1 2 345.443 3.716 20 0 EHADLO Fc1cccc(C[N@H+](Cc2cn3ccsc3n2)C[C@@H]2CCCO2)c1 ZINC000060372434 1128098904 /nfs/dbraw/zinc/09/89/04/1128098904.db2.gz GBBRNMQFGYECQE-KRWDZBQOSA-N 1 2 345.443 3.716 20 0 EHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1CCC1 ZINC000060442338 1128101861 /nfs/dbraw/zinc/10/18/61/1128101861.db2.gz RGIIPQKLILGOKH-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO CCc1nnc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000671722316 1128127630 /nfs/dbraw/zinc/12/76/30/1128127630.db2.gz UKKGFTXHLSPWBD-GFCCVEGCSA-N 1 2 346.283 3.621 20 0 EHADLO CCCCN(CC)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000061800817 1128129307 /nfs/dbraw/zinc/12/93/07/1128129307.db2.gz SGAYITQREDTNTO-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO CCCCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800817 1128129310 /nfs/dbraw/zinc/12/93/10/1128129310.db2.gz SGAYITQREDTNTO-UHFFFAOYSA-N 1 2 347.322 3.591 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000282248367 1128130252 /nfs/dbraw/zinc/13/02/52/1128130252.db2.gz GLYMZIJONWDJDF-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)NCCNc1cccc[nH+]1 ZINC000063092137 1128138816 /nfs/dbraw/zinc/13/88/16/1128138816.db2.gz MFQDPGPJMIDQNA-UHFFFAOYSA-N 1 2 345.446 3.832 20 0 EHADLO CC(C)c1ccsc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064670659 1128173200 /nfs/dbraw/zinc/17/32/00/1128173200.db2.gz IXWKYFWOZCBERN-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)c1 ZINC000064730687 1128174712 /nfs/dbraw/zinc/17/47/12/1128174712.db2.gz LCTJOWKBZRXMJD-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000065738064 1128200311 /nfs/dbraw/zinc/20/03/11/1128200311.db2.gz LQFQTISWWAXLGM-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753399 1128214020 /nfs/dbraw/zinc/21/40/20/1128214020.db2.gz PFVCQZHGIFJOAA-SECBINFHSA-N 1 2 332.429 3.533 20 0 EHADLO O=C(CCc1ccc(Cl)s1)NCCCCNc1cccc[nH+]1 ZINC000068422451 1128266398 /nfs/dbraw/zinc/26/63/98/1128266398.db2.gz AFKXAVWGWOPEJF-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO CC(C)C1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000072717426 1128304639 /nfs/dbraw/zinc/30/46/39/1128304639.db2.gz XFFGQBGMMUSBFU-UHFFFAOYSA-N 1 2 325.412 3.950 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(C)n1CC(F)(F)F ZINC000072770457 1128305200 /nfs/dbraw/zinc/30/52/00/1128305200.db2.gz UJORCNUEDPYTOH-RYUDHWBXSA-N 1 2 348.434 3.676 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000072988603 1128312793 /nfs/dbraw/zinc/31/27/93/1128312793.db2.gz QKAWGEILWJGGFJ-JRMCHAMMSA-N 1 2 344.418 3.644 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000073557156 1128324880 /nfs/dbraw/zinc/32/48/80/1128324880.db2.gz WXQUNEXWIAQEAP-JOCHJYFZSA-N 1 2 341.414 3.942 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H]([C@H]3CCCCO3)C1)nc1ccccc12 ZINC000624401114 1128350212 /nfs/dbraw/zinc/35/02/12/1128350212.db2.gz KEARIXQXXSVSDH-DNVCBOLYSA-N 1 2 336.439 3.668 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000186234614 1128354050 /nfs/dbraw/zinc/35/40/50/1128354050.db2.gz DMRBKGAUAYIBGE-KOLCDFICSA-N 1 2 332.213 3.514 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660424239 1128435302 /nfs/dbraw/zinc/43/53/02/1128435302.db2.gz ASSBMPXUIMXOIC-LLVKDONJSA-N 1 2 329.391 3.928 20 0 EHADLO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660424239 1128435306 /nfs/dbraw/zinc/43/53/06/1128435306.db2.gz ASSBMPXUIMXOIC-LLVKDONJSA-N 1 2 329.391 3.928 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444892785 1128436100 /nfs/dbraw/zinc/43/61/00/1128436100.db2.gz BWCULRFGSMBLBF-GOEBONIOSA-N 1 2 342.443 3.539 20 0 EHADLO CCc1ccc(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)nc1 ZINC000921657561 1128438547 /nfs/dbraw/zinc/43/85/47/1128438547.db2.gz VSTKJJJMWQZWSB-UHFFFAOYSA-N 1 2 334.423 3.832 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)Cc3ccn(C(C)C)n3)cc2)[nH+]c1C ZINC000921661300 1128439622 /nfs/dbraw/zinc/43/96/22/1128439622.db2.gz GYUUVZYOIZDTII-UHFFFAOYSA-N 1 2 337.427 3.652 20 0 EHADLO CCc1nc(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)cs1 ZINC000921666313 1128445288 /nfs/dbraw/zinc/44/52/88/1128445288.db2.gz ZDTPFTRNBPARMW-UHFFFAOYSA-N 1 2 340.452 3.894 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1nnnn1-c1ccccc1 ZINC000115603571 1128453531 /nfs/dbraw/zinc/45/35/31/1128453531.db2.gz VSVIHNHPDGSEKC-VXGBXAGGSA-N 1 2 345.809 3.867 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000903201036 1128463272 /nfs/dbraw/zinc/46/32/72/1128463272.db2.gz WFVYQNSJQUEPMF-LEWSCRJBSA-N 1 2 332.835 3.613 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000655146500 1128464630 /nfs/dbraw/zinc/46/46/30/1128464630.db2.gz MJDWBNBYWVKRMS-MVJTYMMSSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000655146500 1128464631 /nfs/dbraw/zinc/46/46/31/1128464631.db2.gz MJDWBNBYWVKRMS-MVJTYMMSSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000655799634 1128486257 /nfs/dbraw/zinc/48/62/57/1128486257.db2.gz KXIAXTMEIHEOJL-GWCFXTLKSA-N 1 2 340.349 3.526 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1Cl ZINC000631694333 1128676426 /nfs/dbraw/zinc/67/64/26/1128676426.db2.gz RZZXFNIUEHLTCI-KRWDZBQOSA-N 1 2 348.878 3.839 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3C)ccn12 ZINC001128128050 1128681560 /nfs/dbraw/zinc/68/15/60/1128681560.db2.gz MTLXOZQWQBSTBX-UHFFFAOYSA-N 1 2 347.340 3.900 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000303964922 1128711254 /nfs/dbraw/zinc/71/12/54/1128711254.db2.gz XYVPXXMJNPTOHO-FXOUOLKJSA-N 1 2 326.484 3.670 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cn1 ZINC000347664857 1128727313 /nfs/dbraw/zinc/72/73/13/1128727313.db2.gz ABSCEPIBRUMXGU-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CCc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000347664857 1128727314 /nfs/dbraw/zinc/72/73/14/1128727314.db2.gz ABSCEPIBRUMXGU-UHFFFAOYSA-N 1 2 329.875 3.615 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1F ZINC000921767262 1128744913 /nfs/dbraw/zinc/74/49/13/1128744913.db2.gz PLFROYYZIAFDRZ-NSHDSACASA-N 1 2 330.176 3.691 20 0 EHADLO Cc1ccccc1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073500396 1128769870 /nfs/dbraw/zinc/76/98/70/1128769870.db2.gz BAFZFHRHWFRXFS-LJQANCHMSA-N 1 2 348.450 3.512 20 0 EHADLO CN(C)c1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c2ccccc2n1 ZINC000921805032 1128778624 /nfs/dbraw/zinc/77/86/24/1128778624.db2.gz BRKSNVCLNBHVBU-UHFFFAOYSA-N 1 2 338.455 3.876 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000921807913 1128780897 /nfs/dbraw/zinc/78/08/97/1128780897.db2.gz SGBZMQZKCJVQGA-UHFFFAOYSA-N 1 2 333.741 3.656 20 0 EHADLO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC000921821542 1128788763 /nfs/dbraw/zinc/78/87/63/1128788763.db2.gz PCIXVOIGDLBHKX-ZDUSSCGKSA-N 1 2 325.243 3.826 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1 ZINC000061780446 1128790770 /nfs/dbraw/zinc/79/07/70/1128790770.db2.gz FXRVTVCPQBYBGR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1 ZINC000061780446 1128790774 /nfs/dbraw/zinc/79/07/74/1128790774.db2.gz FXRVTVCPQBYBGR-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c3ccco3)c2C)no1 ZINC000085789203 1128791853 /nfs/dbraw/zinc/79/18/53/1128791853.db2.gz UUXYMEXZEXGLKG-OAHLLOKOSA-N 1 2 341.411 3.859 20 0 EHADLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)[C@H](C)c3ccco3)c2C)no1 ZINC000085789203 1128791857 /nfs/dbraw/zinc/79/18/57/1128791857.db2.gz UUXYMEXZEXGLKG-OAHLLOKOSA-N 1 2 341.411 3.859 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1C ZINC000672149655 1128804388 /nfs/dbraw/zinc/80/43/88/1128804388.db2.gz UUCHUONPFIUOGG-MRXNPFEDSA-N 1 2 335.407 3.505 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150953 1128804893 /nfs/dbraw/zinc/80/48/93/1128804893.db2.gz KWFZDZLVOBNPBQ-OAHLLOKOSA-N 1 2 341.480 3.686 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2nc(Br)c[nH]2)c2ccccc2O1 ZINC000921842902 1128809623 /nfs/dbraw/zinc/80/96/23/1128809623.db2.gz OGZPCFIMXVLSLX-NSHDSACASA-N 1 2 336.233 3.564 20 0 EHADLO Cc1ccsc1CN(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000338744277 1128818020 /nfs/dbraw/zinc/81/80/20/1128818020.db2.gz LHRGLTWNYKZVQE-UHFFFAOYSA-N 1 2 349.406 3.651 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c(Cl)c21 ZINC000672154380 1128818558 /nfs/dbraw/zinc/81/85/58/1128818558.db2.gz IQDUHZWDJZRDTC-LLVKDONJSA-N 1 2 345.855 3.804 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155402 1128821594 /nfs/dbraw/zinc/82/15/94/1128821594.db2.gz XLVXPYCAOVJGOX-HNNXBMFYSA-N 1 2 339.464 3.552 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccs1 ZINC000007846314 1128889118 /nfs/dbraw/zinc/88/91/18/1128889118.db2.gz CSRKTTJJTVKMMH-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccs1 ZINC000007846314 1128889123 /nfs/dbraw/zinc/88/91/23/1128889123.db2.gz CSRKTTJJTVKMMH-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c(C)[nH+]1 ZINC001670649134 1120096468 /nfs/dbraw/zinc/09/64/68/1120096468.db2.gz UMWWKWDHNKIQSC-STQMWFEESA-N 1 2 345.365 3.628 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687360885 1120176145 /nfs/dbraw/zinc/17/61/45/1120176145.db2.gz LMHTWCDYDYITIJ-PBEJRMEISA-N 1 2 349.478 3.761 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687360885 1120176148 /nfs/dbraw/zinc/17/61/48/1120176148.db2.gz LMHTWCDYDYITIJ-PBEJRMEISA-N 1 2 349.478 3.761 20 0 EHADLO Cc1ccc(C)c(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000076133246 1128904983 /nfs/dbraw/zinc/90/49/83/1128904983.db2.gz XCLQBBJAPKXXLL-UHFFFAOYSA-N 1 2 337.467 3.548 20 0 EHADLO Cc1noc([C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C(C)C)n1 ZINC000168324589 1120311867 /nfs/dbraw/zinc/31/18/67/1120311867.db2.gz XMHPFYKBWBSSIS-CYBMUJFWSA-N 1 2 329.322 3.605 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000355252117 1128908980 /nfs/dbraw/zinc/90/89/80/1128908980.db2.gz KPNAQQHDHQEZQB-UHFFFAOYSA-N 1 2 341.798 3.796 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000185643076 1120423069 /nfs/dbraw/zinc/42/30/69/1120423069.db2.gz VWSQQDDONGAGIT-UHFFFAOYSA-N 1 2 345.450 3.988 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)cc1OC ZINC000186431553 1120460832 /nfs/dbraw/zinc/46/08/32/1120460832.db2.gz HZLNYOQXWDQEGY-GFCCVEGCSA-N 1 2 348.468 3.913 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000494234147 1120511676 /nfs/dbraw/zinc/51/16/76/1120511676.db2.gz NPPJQYPYGPHADK-FOWTUZBSSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000494234147 1120511680 /nfs/dbraw/zinc/51/16/80/1120511680.db2.gz NPPJQYPYGPHADK-FOWTUZBSSA-N 1 2 336.435 3.863 20 0 EHADLO OCc1ccccc1C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542481239 1120530598 /nfs/dbraw/zinc/53/05/98/1120530598.db2.gz YUEUBXXSZIKHFN-HXUWFJFHSA-N 1 2 340.373 3.731 20 0 EHADLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153044517 1120545850 /nfs/dbraw/zinc/54/58/50/1120545850.db2.gz FOKQHWXTTOJLDJ-GFCCVEGCSA-N 1 2 327.340 3.622 20 0 EHADLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153044517 1120545852 /nfs/dbraw/zinc/54/58/52/1120545852.db2.gz FOKQHWXTTOJLDJ-GFCCVEGCSA-N 1 2 327.340 3.622 20 0 EHADLO COc1cccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190179834 1120628023 /nfs/dbraw/zinc/62/80/23/1120628023.db2.gz NNZQKNLXZDISJA-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO COc1cccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190179834 1120628024 /nfs/dbraw/zinc/62/80/24/1120628024.db2.gz NNZQKNLXZDISJA-AWEZNQCLSA-N 1 2 344.377 3.544 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000190195912 1120629089 /nfs/dbraw/zinc/62/90/89/1120629089.db2.gz VMHLMGLWEPSNOF-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000190195912 1120629093 /nfs/dbraw/zinc/62/90/93/1120629093.db2.gz VMHLMGLWEPSNOF-CQSZACIVSA-N 1 2 344.377 3.544 20 0 EHADLO Fc1cc(F)cc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761637577 1120660416 /nfs/dbraw/zinc/66/04/16/1120660416.db2.gz XFAPPDKFIOYILN-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cn(C(C)(C)C)nn1 ZINC000191262493 1120666137 /nfs/dbraw/zinc/66/61/37/1120666137.db2.gz CNJYMTDIONAOFG-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cn(C(C)(C)C)nn1 ZINC000191262493 1120666139 /nfs/dbraw/zinc/66/61/39/1120666139.db2.gz CNJYMTDIONAOFG-UHFFFAOYSA-N 1 2 336.867 3.587 20 0 EHADLO Cc1cnc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)s1 ZINC000224184138 1120666702 /nfs/dbraw/zinc/66/67/02/1120666702.db2.gz GQXLVYPVBHYRGM-GFCCVEGCSA-N 1 2 339.258 3.827 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000494625432 1120704763 /nfs/dbraw/zinc/70/47/63/1120704763.db2.gz KQXNNFAOXBSXBX-GHMZBOCLSA-N 1 2 335.454 3.552 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000494646721 1120712419 /nfs/dbraw/zinc/71/24/19/1120712419.db2.gz KHMASCZISHCBJI-OAHLLOKOSA-N 1 2 328.437 3.843 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000660067729 1120715642 /nfs/dbraw/zinc/71/56/42/1120715642.db2.gz HTJGNRXKQPZOCJ-HZPDHXFCSA-N 1 2 349.272 3.592 20 0 EHADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000660067729 1120715646 /nfs/dbraw/zinc/71/56/46/1120715646.db2.gz HTJGNRXKQPZOCJ-HZPDHXFCSA-N 1 2 349.272 3.592 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494690391 1120722278 /nfs/dbraw/zinc/72/22/78/1120722278.db2.gz KKXQGGMBKLYZGN-OCCSQVGLSA-N 1 2 333.457 3.750 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494690391 1120722283 /nfs/dbraw/zinc/72/22/83/1120722283.db2.gz KKXQGGMBKLYZGN-OCCSQVGLSA-N 1 2 333.457 3.750 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c(C)cccc1C ZINC000192250098 1120728147 /nfs/dbraw/zinc/72/81/47/1120728147.db2.gz AMDFMJLLNOYBKE-UHFFFAOYSA-N 1 2 327.472 3.544 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192637574 1120740843 /nfs/dbraw/zinc/74/08/43/1120740843.db2.gz WANRIMZNAICBFM-HNNXBMFYSA-N 1 2 345.402 3.571 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3noc(C(C)(C)C)n3)c2c1 ZINC000193069320 1120757891 /nfs/dbraw/zinc/75/78/91/1120757891.db2.gz UWUXYNXEVXJOIH-UHFFFAOYSA-N 1 2 327.384 3.811 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccnc3ccccc32)c1C ZINC000195002700 1120759003 /nfs/dbraw/zinc/75/90/03/1120759003.db2.gz MBGARCYNWCGIDG-UHFFFAOYSA-N 1 2 335.407 3.527 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C4CC4)C3)cn2c1 ZINC000494751399 1120772714 /nfs/dbraw/zinc/77/27/14/1120772714.db2.gz LFIQPEPXIDBMPE-MRXNPFEDSA-N 1 2 343.496 3.525 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000914465355 1120780862 /nfs/dbraw/zinc/78/08/62/1120780862.db2.gz USPGUPKZAJTMSR-UHFFFAOYSA-N 1 2 341.546 3.847 20 0 EHADLO CCN(CC)c1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000761687000 1120797821 /nfs/dbraw/zinc/79/78/21/1120797821.db2.gz NJVQFSBEDJBAJB-SFHVURJKSA-N 1 2 342.487 3.574 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000194053696 1120819292 /nfs/dbraw/zinc/81/92/92/1120819292.db2.gz LYWGOJCSCAXXKG-APWZRJJASA-N 1 2 340.471 3.557 20 0 EHADLO COCc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761694058 1120820821 /nfs/dbraw/zinc/82/08/21/1120820821.db2.gz HUBMHMHMLIYZBW-UHFFFAOYSA-N 1 2 332.363 3.736 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccco1 ZINC000494875756 1120890609 /nfs/dbraw/zinc/89/06/09/1120890609.db2.gz CIUMFMIZHXDLGZ-SJLPKXTDSA-N 1 2 345.491 3.692 20 0 EHADLO CCN(CC)[C@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccco1 ZINC000494875756 1120890613 /nfs/dbraw/zinc/89/06/13/1120890613.db2.gz CIUMFMIZHXDLGZ-SJLPKXTDSA-N 1 2 345.491 3.692 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1(CC)CC ZINC000495096089 1120951953 /nfs/dbraw/zinc/95/19/53/1120951953.db2.gz ZNOHGLYBGNEDDA-BRWVUGGUSA-N 1 2 334.508 4.000 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cn1 ZINC000230308257 1121001497 /nfs/dbraw/zinc/00/14/97/1121001497.db2.gz SYJCXQCPHIVCKD-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO O=C(Oc1ccc(Cl)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000761913570 1121006532 /nfs/dbraw/zinc/00/65/32/1121006532.db2.gz NQIZAVLUVUHBIE-UHFFFAOYSA-N 1 2 330.746 3.943 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCOc3ccccc3C2)c1 ZINC000076848984 1128956703 /nfs/dbraw/zinc/95/67/03/1128956703.db2.gz YFCFCKQTVITVQI-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000076848984 1128956708 /nfs/dbraw/zinc/95/67/08/1128956708.db2.gz YFCFCKQTVITVQI-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000356214037 1128957619 /nfs/dbraw/zinc/95/76/19/1128957619.db2.gz XDXDNQIOBCNVGU-ZWKOTPCHSA-N 1 2 347.503 3.709 20 0 EHADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000356214037 1128957623 /nfs/dbraw/zinc/95/76/23/1128957623.db2.gz XDXDNQIOBCNVGU-ZWKOTPCHSA-N 1 2 347.503 3.709 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000495297988 1121051046 /nfs/dbraw/zinc/05/10/46/1121051046.db2.gz XVDYKQLDFKOYEL-CYBMUJFWSA-N 1 2 337.489 3.510 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000495297988 1121051053 /nfs/dbraw/zinc/05/10/53/1121051053.db2.gz XVDYKQLDFKOYEL-CYBMUJFWSA-N 1 2 337.489 3.510 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3cccc(C)c3C2)C1 ZINC000762086355 1121099351 /nfs/dbraw/zinc/09/93/51/1121099351.db2.gz JWPIBIFNVUODPH-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3cccc(C)c3C2)C1 ZINC000762086355 1121099357 /nfs/dbraw/zinc/09/93/57/1121099357.db2.gz JWPIBIFNVUODPH-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000495388573 1121160309 /nfs/dbraw/zinc/16/03/09/1121160309.db2.gz VQUIMIXXCBJDSH-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000495388573 1121160313 /nfs/dbraw/zinc/16/03/13/1121160313.db2.gz VQUIMIXXCBJDSH-GHMZBOCLSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000495388576 1121161322 /nfs/dbraw/zinc/16/13/22/1121161322.db2.gz VQUIMIXXCBJDSH-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000495388576 1121161323 /nfs/dbraw/zinc/16/13/23/1121161323.db2.gz VQUIMIXXCBJDSH-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000303917762 1121193963 /nfs/dbraw/zinc/19/39/63/1121193963.db2.gz OAOSKZWJSZDTDQ-AUUYWEPGSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000303917762 1121193966 /nfs/dbraw/zinc/19/39/66/1121193966.db2.gz OAOSKZWJSZDTDQ-AUUYWEPGSA-N 1 2 333.378 3.806 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)o2)cc1 ZINC000915208486 1121253344 /nfs/dbraw/zinc/25/33/44/1121253344.db2.gz DPMXGVANRUMPMZ-CYBMUJFWSA-N 1 2 335.473 3.739 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)o2)cc1 ZINC000915208486 1121253349 /nfs/dbraw/zinc/25/33/49/1121253349.db2.gz DPMXGVANRUMPMZ-CYBMUJFWSA-N 1 2 335.473 3.739 20 0 EHADLO COC1CCC(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000762413597 1121284901 /nfs/dbraw/zinc/28/49/01/1121284901.db2.gz PTLKKMULTGNKQJ-UHFFFAOYSA-N 1 2 338.411 3.670 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CN1C[C@H](C2CC2)CC1=O ZINC000762476548 1121320437 /nfs/dbraw/zinc/32/04/37/1121320437.db2.gz HFDHDKBIKLIWAD-CYBMUJFWSA-N 1 2 327.255 3.641 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CN1C[C@H](C2CC2)CC1=O ZINC000762476548 1121320445 /nfs/dbraw/zinc/32/04/45/1121320445.db2.gz HFDHDKBIKLIWAD-CYBMUJFWSA-N 1 2 327.255 3.641 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000762498864 1121328467 /nfs/dbraw/zinc/32/84/67/1121328467.db2.gz ZYQULVITTJIKAV-YLJYHZDGSA-N 1 2 337.467 3.911 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000762498864 1121328476 /nfs/dbraw/zinc/32/84/76/1121328476.db2.gz ZYQULVITTJIKAV-YLJYHZDGSA-N 1 2 337.467 3.911 20 0 EHADLO C[C@H](c1nnc(S[C@@H](C)C2CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000915465740 1121418239 /nfs/dbraw/zinc/41/82/39/1121418239.db2.gz IYQBFCWDSKAHFW-NEPJUHHUSA-N 1 2 334.464 3.920 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000255025503 1128986194 /nfs/dbraw/zinc/98/61/94/1128986194.db2.gz LQJIGBMDNKCCSY-NEPJUHHUSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000255025503 1128986199 /nfs/dbraw/zinc/98/61/99/1128986199.db2.gz LQJIGBMDNKCCSY-NEPJUHHUSA-N 1 2 345.270 3.821 20 0 EHADLO Clc1cccc(Cl)c1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000237844445 1121495931 /nfs/dbraw/zinc/49/59/31/1121495931.db2.gz WGRLPTGCQTUOML-UHFFFAOYSA-N 1 2 338.238 3.837 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccccc1F ZINC000496011425 1121608192 /nfs/dbraw/zinc/60/81/92/1121608192.db2.gz CJLYUSDHYLUCAL-UHFFFAOYSA-N 1 2 331.391 3.858 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000496005669 1121608537 /nfs/dbraw/zinc/60/85/37/1121608537.db2.gz HWEQKOMYWFIQNQ-ZDUSSCGKSA-N 1 2 331.416 3.585 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c(F)c1 ZINC000921982334 1128997031 /nfs/dbraw/zinc/99/70/31/1128997031.db2.gz GMSXXKAKFWJEHX-QGZVFWFLSA-N 1 2 345.418 3.557 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000763054768 1121668621 /nfs/dbraw/zinc/66/86/21/1121668621.db2.gz MALDMHXZVRLJJL-INIZCTEOSA-N 1 2 327.403 3.618 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1Cl ZINC001205162279 1121718720 /nfs/dbraw/zinc/71/87/20/1121718720.db2.gz NHTFBDGKMDTLCE-UHFFFAOYSA-N 1 2 341.860 3.764 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1Cl ZINC001205162279 1121718725 /nfs/dbraw/zinc/71/87/25/1121718725.db2.gz NHTFBDGKMDTLCE-UHFFFAOYSA-N 1 2 341.860 3.764 20 0 EHADLO O=C(CCc1cc(F)ccc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054114696 1121737336 /nfs/dbraw/zinc/73/73/36/1121737336.db2.gz WCTNDTCHSAEUGP-UHFFFAOYSA-N 1 2 345.324 3.861 20 0 EHADLO Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000054225261 1121750513 /nfs/dbraw/zinc/75/05/13/1121750513.db2.gz HEFVEIZNKOSBBN-UHFFFAOYSA-N 1 2 339.370 3.646 20 0 EHADLO O=C(COc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225253 1121750601 /nfs/dbraw/zinc/75/06/01/1121750601.db2.gz IVMWIOZLEWWUNK-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000055057855 1121792770 /nfs/dbraw/zinc/79/27/70/1121792770.db2.gz NCWSKZMZZLQNHI-IBGZPJMESA-N 1 2 326.440 3.774 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000055057855 1121792774 /nfs/dbraw/zinc/79/27/74/1121792774.db2.gz NCWSKZMZZLQNHI-IBGZPJMESA-N 1 2 326.440 3.774 20 0 EHADLO CCCCCn1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000347461673 1121830422 /nfs/dbraw/zinc/83/04/22/1121830422.db2.gz YJCGZVUAPPEXOT-INIZCTEOSA-N 1 2 338.455 3.847 20 0 EHADLO CCCc1nc(C)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000055697020 1121858173 /nfs/dbraw/zinc/85/81/73/1121858173.db2.gz BEDCNICIMQVHJY-UHFFFAOYSA-N 1 2 340.452 3.520 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000055712659 1121871941 /nfs/dbraw/zinc/87/19/41/1121871941.db2.gz OIDSRZZCNSCMKF-GOSISDBHSA-N 1 2 337.810 3.943 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444136846 1121874639 /nfs/dbraw/zinc/87/46/39/1121874639.db2.gz YRUCAMDQUMHCAD-SJORKVTESA-N 1 2 334.508 3.916 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cccnc1Cl ZINC000055908663 1121894600 /nfs/dbraw/zinc/89/46/00/1121894600.db2.gz CRYZNLBSCNAUFM-OAHLLOKOSA-N 1 2 347.821 3.520 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cccnc1Cl ZINC000055908663 1121894608 /nfs/dbraw/zinc/89/46/08/1121894608.db2.gz CRYZNLBSCNAUFM-OAHLLOKOSA-N 1 2 347.821 3.520 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000763239017 1121917064 /nfs/dbraw/zinc/91/70/64/1121917064.db2.gz DJSZMPBWLVKPJL-HXUWFJFHSA-N 1 2 339.483 3.754 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000763239017 1121917070 /nfs/dbraw/zinc/91/70/70/1121917070.db2.gz DJSZMPBWLVKPJL-HXUWFJFHSA-N 1 2 339.483 3.754 20 0 EHADLO Cc1nc(-c2ccccc2)sc1C(=O)OCCCn1cc[nH+]c1 ZINC000763294088 1121945040 /nfs/dbraw/zinc/94/50/40/1121945040.db2.gz OKQWLZICPKOJJZ-UHFFFAOYSA-N 1 2 327.409 3.562 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333489 1121965220 /nfs/dbraw/zinc/96/52/20/1121965220.db2.gz UDEAYBFJXDZCKQ-YOEHRIQHSA-N 1 2 328.485 3.713 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333489 1121965226 /nfs/dbraw/zinc/96/52/26/1121965226.db2.gz UDEAYBFJXDZCKQ-YOEHRIQHSA-N 1 2 328.485 3.713 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(C)cc(NC(=O)OC(C)(C)C)c2)no1 ZINC000496158438 1121976585 /nfs/dbraw/zinc/97/65/85/1121976585.db2.gz KZIVBAUOJVNUBU-UHFFFAOYSA-N 1 2 331.416 3.928 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605530 1129025261 /nfs/dbraw/zinc/02/52/61/1129025261.db2.gz LWHMXGKOVWCGGH-QZTJIDSGSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605530 1129025264 /nfs/dbraw/zinc/02/52/64/1129025264.db2.gz LWHMXGKOVWCGGH-QZTJIDSGSA-N 1 2 348.849 3.943 20 0 EHADLO COC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1F ZINC000672605530 1129025267 /nfs/dbraw/zinc/02/52/67/1129025267.db2.gz LWHMXGKOVWCGGH-QZTJIDSGSA-N 1 2 348.849 3.943 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(Br)c1 ZINC000123394244 1122142628 /nfs/dbraw/zinc/14/26/28/1122142628.db2.gz NJOMPBLBLJNHPX-TXEJJXNPSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(Br)c1 ZINC000123394244 1122142630 /nfs/dbraw/zinc/14/26/30/1122142630.db2.gz NJOMPBLBLJNHPX-TXEJJXNPSA-N 1 2 325.250 3.569 20 0 EHADLO COc1c(C)ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000916465979 1122162463 /nfs/dbraw/zinc/16/24/63/1122162463.db2.gz HJEVETKAZRXORE-MRXNPFEDSA-N 1 2 344.459 3.745 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1NC(=O)OC(C)(C)C)n1cc[nH+]c1 ZINC000496924080 1122210311 /nfs/dbraw/zinc/21/03/11/1122210311.db2.gz VSXZCLGAQGVAGD-CYBMUJFWSA-N 1 2 344.415 3.820 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)nc2ccccc12 ZINC001649033408 1122228038 /nfs/dbraw/zinc/22/80/38/1122228038.db2.gz KTDGGUDVDARLGN-UHFFFAOYSA-N 1 2 343.333 3.550 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccccc1Oc1ccccc1 ZINC000063281994 1122279040 /nfs/dbraw/zinc/27/90/40/1122279040.db2.gz PYZNKIQJGBLJKE-UHFFFAOYSA-N 1 2 331.379 3.768 20 0 EHADLO Cc1cscc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000124421930 1122283794 /nfs/dbraw/zinc/28/37/94/1122283794.db2.gz FPOWUYWGAWUSKZ-UHFFFAOYSA-N 1 2 330.388 3.703 20 0 EHADLO CC[C@@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000124608893 1122290307 /nfs/dbraw/zinc/29/03/07/1122290307.db2.gz MFBWAQDFFZJDPD-MTCRFPMVSA-N 1 2 332.407 3.548 20 0 EHADLO NC(=O)CC[N@H+](Cc1csc(C2CCCC2)n1)Cc1ccccc1 ZINC000063993569 1122299759 /nfs/dbraw/zinc/29/97/59/1122299759.db2.gz GKNRJDGHNJSPSB-UHFFFAOYSA-N 1 2 343.496 3.678 20 0 EHADLO NC(=O)CC[N@@H+](Cc1csc(C2CCCC2)n1)Cc1ccccc1 ZINC000063993569 1122299762 /nfs/dbraw/zinc/29/97/62/1122299762.db2.gz GKNRJDGHNJSPSB-UHFFFAOYSA-N 1 2 343.496 3.678 20 0 EHADLO C[C@H]1CC2(CN1c1cccc[nH+]1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000497231181 1122389261 /nfs/dbraw/zinc/38/92/61/1122389261.db2.gz YQVIWBHRJQXYHB-HNNXBMFYSA-N 1 2 331.460 3.698 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000670325678 1122394469 /nfs/dbraw/zinc/39/44/69/1122394469.db2.gz WXWAANROQGIITF-UHFFFAOYSA-N 1 2 347.287 3.646 20 0 EHADLO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000126295148 1122399960 /nfs/dbraw/zinc/39/99/60/1122399960.db2.gz BUZQZVQLWCELKU-IUODEOHRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000126295148 1122399963 /nfs/dbraw/zinc/39/99/63/1122399963.db2.gz BUZQZVQLWCELKU-IUODEOHRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(Cl)o1)Cc1ccccc1Cl ZINC000672710130 1129053900 /nfs/dbraw/zinc/05/39/00/1129053900.db2.gz FHRFKPITIKQMNA-UHFFFAOYSA-N 1 2 341.238 3.725 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(Cl)o1)Cc1ccccc1Cl ZINC000672710130 1129053904 /nfs/dbraw/zinc/05/39/04/1129053904.db2.gz FHRFKPITIKQMNA-UHFFFAOYSA-N 1 2 341.238 3.725 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000917106546 1122504553 /nfs/dbraw/zinc/50/45/53/1122504553.db2.gz VVBLIKDWFZVAJH-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000917106546 1122504557 /nfs/dbraw/zinc/50/45/57/1122504557.db2.gz VVBLIKDWFZVAJH-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1Cl ZINC000128067250 1122526654 /nfs/dbraw/zinc/52/66/54/1122526654.db2.gz LXWRGSKKGBFYGI-QGZVFWFLSA-N 1 2 327.815 3.951 20 0 EHADLO c1c[nH]c([C@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc2)n1 ZINC000128544534 1122620882 /nfs/dbraw/zinc/62/08/82/1122620882.db2.gz WHJOZBMJWXUXCQ-LJQANCHMSA-N 1 2 333.439 3.997 20 0 EHADLO c1nn(-c2ccccc2)nc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000763426312 1122775068 /nfs/dbraw/zinc/77/50/68/1122775068.db2.gz PTHLRUYTQUNCLW-UHFFFAOYSA-N 1 2 330.395 3.564 20 0 EHADLO CCOc1c(C[NH2+]Cc2ccc(Cl)o2)c(C)nn1CC(C)C ZINC000672816178 1129078704 /nfs/dbraw/zinc/07/87/04/1129078704.db2.gz NKZLKFVTUWWLLH-UHFFFAOYSA-N 1 2 325.840 3.782 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000672817075 1129079024 /nfs/dbraw/zinc/07/90/24/1129079024.db2.gz AJLCRRFTORNXNK-OAHLLOKOSA-N 1 2 332.835 3.968 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000556262569 1122905247 /nfs/dbraw/zinc/90/52/47/1122905247.db2.gz AMBCGFPPTFHSHH-SJCJKPOMSA-N 1 2 331.366 3.651 20 0 EHADLO COCc1ccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923841900 1122935089 /nfs/dbraw/zinc/93/50/89/1122935089.db2.gz UMUBIPGOMIGBAM-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000070978917 1122947934 /nfs/dbraw/zinc/94/79/34/1122947934.db2.gz ULRIKNAXXCCLMY-INIZCTEOSA-N 1 2 326.440 3.569 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC)c1ccccc1 ZINC000070978917 1122947936 /nfs/dbraw/zinc/94/79/36/1122947936.db2.gz ULRIKNAXXCCLMY-INIZCTEOSA-N 1 2 326.440 3.569 20 0 EHADLO O=C1CCCc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)ccc2N1 ZINC000130499668 1122955865 /nfs/dbraw/zinc/95/58/65/1122955865.db2.gz DCXIIELWAHRRHU-UHFFFAOYSA-N 1 2 332.407 3.759 20 0 EHADLO Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000556396832 1122961156 /nfs/dbraw/zinc/96/11/56/1122961156.db2.gz GTTVYQIRNGCXSF-UHFFFAOYSA-N 1 2 343.276 3.743 20 0 EHADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000498795939 1123070688 /nfs/dbraw/zinc/07/06/88/1123070688.db2.gz RUDKPNQDANWEDK-UKRRQHHQSA-N 1 2 327.415 3.963 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763437307 1123088208 /nfs/dbraw/zinc/08/82/08/1123088208.db2.gz MNIGAEZKRSPLNB-VQTJNVASSA-N 1 2 343.467 3.803 20 0 EHADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000763437307 1123088213 /nfs/dbraw/zinc/08/82/13/1123088213.db2.gz MNIGAEZKRSPLNB-VQTJNVASSA-N 1 2 343.467 3.803 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000556752120 1123104731 /nfs/dbraw/zinc/10/47/31/1123104731.db2.gz IURZBMNIHGYQQI-SIIHOXLZSA-N 1 2 344.434 3.684 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515451 1123108127 /nfs/dbraw/zinc/10/81/27/1123108127.db2.gz DNRLYUOTSPZKFB-MNOVXSKESA-N 1 2 347.322 3.636 20 0 EHADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515451 1123108128 /nfs/dbraw/zinc/10/81/28/1123108128.db2.gz DNRLYUOTSPZKFB-MNOVXSKESA-N 1 2 347.322 3.636 20 0 EHADLO CC(C)CCc1noc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000072632308 1123134384 /nfs/dbraw/zinc/13/43/84/1123134384.db2.gz SKAGSORCGANYFI-GOSISDBHSA-N 1 2 343.471 3.530 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000072632308 1123134387 /nfs/dbraw/zinc/13/43/87/1123134387.db2.gz SKAGSORCGANYFI-GOSISDBHSA-N 1 2 343.471 3.530 20 0 EHADLO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000556921824 1123209716 /nfs/dbraw/zinc/20/97/16/1123209716.db2.gz XKXIDRFFYLWRHM-SNVBAGLBSA-N 1 2 344.308 3.979 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000073712199 1123217185 /nfs/dbraw/zinc/21/71/85/1123217185.db2.gz BKPDOLBFNYSUPX-IBGZPJMESA-N 1 2 340.471 3.509 20 0 EHADLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000155159125 1123262349 /nfs/dbraw/zinc/26/23/49/1123262349.db2.gz VYWMHUUQPRAIOU-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000155159125 1123262350 /nfs/dbraw/zinc/26/23/50/1123262350.db2.gz VYWMHUUQPRAIOU-UHFFFAOYSA-N 1 2 343.901 3.545 20 0 EHADLO CCO[C@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccc1 ZINC000920221324 1123340610 /nfs/dbraw/zinc/34/06/10/1123340610.db2.gz XXEPICKWMSLOMS-INIZCTEOSA-N 1 2 347.484 3.701 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000499321029 1123351378 /nfs/dbraw/zinc/35/13/78/1123351378.db2.gz WUWUACXCVTUJQX-HNNXBMFYSA-N 1 2 332.492 3.905 20 0 EHADLO COCc1cccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000075503383 1123399178 /nfs/dbraw/zinc/39/91/78/1123399178.db2.gz WGNPKZCGKHNRBT-JXMROGBWSA-N 1 2 333.391 3.671 20 0 EHADLO CCn1ccnc1[C@@H]([NH2+]Cc1cc(C)cnc1Cl)C1CCOCC1 ZINC000922116982 1129120387 /nfs/dbraw/zinc/12/03/87/1129120387.db2.gz FEZNZOIJZFSHCN-INIZCTEOSA-N 1 2 348.878 3.517 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996431 1123450601 /nfs/dbraw/zinc/45/06/01/1123450601.db2.gz KTUJGJYWBCLFGO-JTQLQIEISA-N 1 2 334.769 3.941 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccn(C2CCCC2)n1 ZINC000133917739 1123463827 /nfs/dbraw/zinc/46/38/27/1123463827.db2.gz CIMWXIULBMQICZ-UHFFFAOYSA-N 1 2 339.374 3.575 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-n2cccc2)c1 ZINC000921149040 1123472244 /nfs/dbraw/zinc/47/22/44/1123472244.db2.gz XYTCHCXNARDREE-UHFFFAOYSA-N 1 2 342.402 3.593 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000076344723 1123488993 /nfs/dbraw/zinc/48/89/93/1123488993.db2.gz AFNTZWFIWQEWLQ-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000076344723 1123488994 /nfs/dbraw/zinc/48/89/94/1123488994.db2.gz AFNTZWFIWQEWLQ-MRXNPFEDSA-N 1 2 336.888 3.998 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cs1 ZINC000134622051 1123537521 /nfs/dbraw/zinc/53/75/21/1123537521.db2.gz XYASSXFZFVFLTQ-STQMWFEESA-N 1 2 339.505 3.583 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cs1 ZINC000134622051 1123537525 /nfs/dbraw/zinc/53/75/25/1123537525.db2.gz XYASSXFZFVFLTQ-STQMWFEESA-N 1 2 339.505 3.583 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134630281 1123538269 /nfs/dbraw/zinc/53/82/69/1123538269.db2.gz LXZXEPLRIZAPLS-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134630281 1123538273 /nfs/dbraw/zinc/53/82/73/1123538273.db2.gz LXZXEPLRIZAPLS-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO Cc1c(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cnn1C ZINC000135104456 1123583009 /nfs/dbraw/zinc/58/30/09/1123583009.db2.gz PVIKYYKEDJMTNA-HXUWFJFHSA-N 1 2 348.450 3.507 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484397 1123625779 /nfs/dbraw/zinc/62/57/79/1123625779.db2.gz VZXMMVJTFQRLCS-ROUUACIJSA-N 1 2 342.487 3.674 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484397 1123625783 /nfs/dbraw/zinc/62/57/83/1123625783.db2.gz VZXMMVJTFQRLCS-ROUUACIJSA-N 1 2 342.487 3.674 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc(C)c1F ZINC000135615961 1123632028 /nfs/dbraw/zinc/63/20/28/1123632028.db2.gz DWNNZCCFFFIMER-UHFFFAOYSA-N 1 2 337.398 3.617 20 0 EHADLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(NC(C)=O)c1 ZINC000136339840 1123688435 /nfs/dbraw/zinc/68/84/35/1123688435.db2.gz RXEUKUWZEBOLFW-AWEZNQCLSA-N 1 2 334.460 3.587 20 0 EHADLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(NC(C)=O)c1 ZINC000136339840 1123688437 /nfs/dbraw/zinc/68/84/37/1123688437.db2.gz RXEUKUWZEBOLFW-AWEZNQCLSA-N 1 2 334.460 3.587 20 0 EHADLO O=S(=O)(CCC[N@@H+](Cc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000079887829 1123729714 /nfs/dbraw/zinc/72/97/14/1123729714.db2.gz IJDIKFJGBJIJLP-UHFFFAOYSA-N 1 2 347.455 3.654 20 0 EHADLO O=S(=O)(CCC[N@H+](Cc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000079887829 1123729716 /nfs/dbraw/zinc/72/97/16/1123729716.db2.gz IJDIKFJGBJIJLP-UHFFFAOYSA-N 1 2 347.455 3.654 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000080722929 1123761545 /nfs/dbraw/zinc/76/15/45/1123761545.db2.gz DFVXYWIJWJOWMD-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000080722929 1123761549 /nfs/dbraw/zinc/76/15/49/1123761549.db2.gz DFVXYWIJWJOWMD-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CCOc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)s1 ZINC000067873406 1123765583 /nfs/dbraw/zinc/76/55/83/1123765583.db2.gz URGWJAUIKGKNMY-CQSZACIVSA-N 1 2 335.498 3.737 20 0 EHADLO CCOc1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)s1 ZINC000067873406 1123765586 /nfs/dbraw/zinc/76/55/86/1123765586.db2.gz URGWJAUIKGKNMY-CQSZACIVSA-N 1 2 335.498 3.737 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(Cl)c1O ZINC000179564357 1123798643 /nfs/dbraw/zinc/79/86/43/1123798643.db2.gz YIYLPBHAAKJLRF-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(Cl)c1O ZINC000179564357 1123798645 /nfs/dbraw/zinc/79/86/45/1123798645.db2.gz YIYLPBHAAKJLRF-UHFFFAOYSA-N 1 2 348.830 3.515 20 0 EHADLO CCC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)C[C@H]1CCCCO1 ZINC000245496727 1123848858 /nfs/dbraw/zinc/84/88/58/1123848858.db2.gz RZSROEBUBGMIPF-JKSUJKDBSA-N 1 2 339.480 3.584 20 0 EHADLO CCC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)C[C@H]1CCCCO1 ZINC000245496727 1123848862 /nfs/dbraw/zinc/84/88/62/1123848862.db2.gz RZSROEBUBGMIPF-JKSUJKDBSA-N 1 2 339.480 3.584 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H]1c1ccccc1 ZINC000081573724 1123849396 /nfs/dbraw/zinc/84/93/96/1123849396.db2.gz SNCZUYXLEGGIAO-YJYMSZOUSA-N 1 2 349.390 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H]1c1ccccc1 ZINC000081573724 1123849400 /nfs/dbraw/zinc/84/94/00/1123849400.db2.gz SNCZUYXLEGGIAO-YJYMSZOUSA-N 1 2 349.390 3.658 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081687589 1123876090 /nfs/dbraw/zinc/87/60/90/1123876090.db2.gz JKLKJCWFEUYXMC-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nccs1 ZINC000081687589 1123876096 /nfs/dbraw/zinc/87/60/96/1123876096.db2.gz JKLKJCWFEUYXMC-XJKSGUPXSA-N 1 2 347.459 3.514 20 0 EHADLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180057969 1123929640 /nfs/dbraw/zinc/92/96/40/1123929640.db2.gz PBKOGCBBRNPYPY-OAHLLOKOSA-N 1 2 334.872 3.634 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180057969 1123929643 /nfs/dbraw/zinc/92/96/43/1123929643.db2.gz PBKOGCBBRNPYPY-OAHLLOKOSA-N 1 2 334.872 3.634 20 0 EHADLO CC(C)c1noc(C[NH2+]C(C)(C)c2ccc(Br)cc2)n1 ZINC000616011406 1123930375 /nfs/dbraw/zinc/93/03/75/1123930375.db2.gz DHFKNPNCEBBBCF-UHFFFAOYSA-N 1 2 338.249 3.980 20 0 EHADLO CCCC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OC ZINC000245756058 1123946509 /nfs/dbraw/zinc/94/65/09/1123946509.db2.gz YLKLKGGMRUSJOF-FHWLQOOXSA-N 1 2 333.472 3.784 20 0 EHADLO CC(C)C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000616208024 1123963040 /nfs/dbraw/zinc/96/30/40/1123963040.db2.gz QJVOENOIUYAWFC-KRWDZBQOSA-N 1 2 333.863 3.562 20 0 EHADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328496 1123983421 /nfs/dbraw/zinc/98/34/21/1123983421.db2.gz MGQHECXUIASBKD-MANSERQUSA-N 1 2 337.467 3.708 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246040933 1124004900 /nfs/dbraw/zinc/00/49/00/1124004900.db2.gz AKGRBBACGNRYAF-IEBWSBKVSA-N 1 2 346.833 3.583 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246040933 1124004905 /nfs/dbraw/zinc/00/49/05/1124004905.db2.gz AKGRBBACGNRYAF-IEBWSBKVSA-N 1 2 346.833 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2F)cc1 ZINC000068866630 1124038785 /nfs/dbraw/zinc/03/87/85/1124038785.db2.gz IUCHICVJNWUQOQ-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2F)cc1 ZINC000068866630 1124038789 /nfs/dbraw/zinc/03/87/89/1124038789.db2.gz IUCHICVJNWUQOQ-CQSZACIVSA-N 1 2 342.414 3.530 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c(=S)n1CCc1cccs1 ZINC000068867370 1124045601 /nfs/dbraw/zinc/04/56/01/1124045601.db2.gz GUFJNQLPXOSZPS-ZDUSSCGKSA-N 1 2 336.530 3.716 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C)C2)c(=S)n1CCc1cccs1 ZINC000068867370 1124045605 /nfs/dbraw/zinc/04/56/05/1124045605.db2.gz GUFJNQLPXOSZPS-ZDUSSCGKSA-N 1 2 336.530 3.716 20 0 EHADLO CCCCC[C@H](CC)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000180811700 1124080788 /nfs/dbraw/zinc/08/07/88/1124080788.db2.gz FPDOPGGPVAVKFB-MSOLQXFVSA-N 1 2 331.504 3.893 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000248329373 1124649662 /nfs/dbraw/zinc/64/96/62/1124649662.db2.gz DDCDOSAEROBXOB-AGIUHOORSA-N 1 2 339.277 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000248329373 1124649666 /nfs/dbraw/zinc/64/96/66/1124649666.db2.gz DDCDOSAEROBXOB-AGIUHOORSA-N 1 2 339.277 3.815 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000248537752 1124671111 /nfs/dbraw/zinc/67/11/11/1124671111.db2.gz ADQNSXVWOAYJRO-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000248625022 1124681694 /nfs/dbraw/zinc/68/16/94/1124681694.db2.gz UTHSQUISEBDROI-HZSPNIEDSA-N 1 2 337.533 3.596 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248913733 1124718330 /nfs/dbraw/zinc/71/83/30/1124718330.db2.gz VSHAIGFJNLEJRG-OPRDCNLKSA-N 1 2 331.243 3.899 20 0 EHADLO CCOc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000069390970 1124742259 /nfs/dbraw/zinc/74/22/59/1124742259.db2.gz PGCXPHRUHDYTRR-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO O=C(/C=C/c1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069534040 1124856312 /nfs/dbraw/zinc/85/63/12/1124856312.db2.gz DFTDKNJHYAUVOC-VOTSOKGWSA-N 1 2 333.482 3.842 20 0 EHADLO CCc1cc(OCC(=O)Nc2ccccc2OC)c2ccccc2[nH+]1 ZINC000090368552 1124905346 /nfs/dbraw/zinc/90/53/46/1124905346.db2.gz SADZKAXEDFSFTJ-UHFFFAOYSA-N 1 2 336.391 3.823 20 0 EHADLO CCc1cc(OCC(=O)NCc2cccs2)c2ccccc2[nH+]1 ZINC000090368517 1124905470 /nfs/dbraw/zinc/90/54/70/1124905470.db2.gz MEANTWVPMUZEDW-UHFFFAOYSA-N 1 2 326.421 3.554 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161678 1124961732 /nfs/dbraw/zinc/96/17/32/1124961732.db2.gz VXNHSTIQOKIAAB-GJZGRUSLSA-N 1 2 326.843 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161678 1124961739 /nfs/dbraw/zinc/96/17/39/1124961739.db2.gz VXNHSTIQOKIAAB-GJZGRUSLSA-N 1 2 326.843 3.777 20 0 EHADLO Clc1ccc(COCC[NH2+][C@@H]2CCCc3[nH]ncc32)c(Cl)c1 ZINC000353616921 1124979508 /nfs/dbraw/zinc/97/95/08/1124979508.db2.gz BYCZWYZTBOBCHK-OAHLLOKOSA-N 1 2 340.254 3.900 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc4ccccc4n3C(C)C)[nH+]c12 ZINC000618855318 1125224894 /nfs/dbraw/zinc/22/48/94/1125224894.db2.gz HVPDQMUNYKEYPS-UHFFFAOYSA-N 1 2 347.422 3.755 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000093392478 1125240822 /nfs/dbraw/zinc/24/08/22/1125240822.db2.gz FPIBQOUCQRDBFG-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000093392478 1125240826 /nfs/dbraw/zinc/24/08/26/1125240826.db2.gz FPIBQOUCQRDBFG-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO CCC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CCO1 ZINC000093508700 1125263841 /nfs/dbraw/zinc/26/38/41/1125263841.db2.gz XGWQFSVAODXOEW-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO CCC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CCO1 ZINC000093508700 1125263842 /nfs/dbraw/zinc/26/38/42/1125263842.db2.gz XGWQFSVAODXOEW-CQSZACIVSA-N 1 2 347.377 3.637 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619125408 1125284328 /nfs/dbraw/zinc/28/43/28/1125284328.db2.gz AHGWHQOACCDGAQ-UHFFFAOYSA-N 1 2 345.287 3.512 20 0 EHADLO Cc1cn2cc(NC(=O)/C=C/c3ccnc4ccccc34)ccc2[nH+]1 ZINC000735437325 1131346455 /nfs/dbraw/zinc/34/64/55/1131346455.db2.gz MPRZQHYSAZRPQQ-RMKNXTFCSA-N 1 2 328.375 3.843 20 0 EHADLO COc1cc(OC)cc(N2CCC[N@H+](C/C(Cl)=C\Cl)CC2)c1 ZINC000763589239 1125388651 /nfs/dbraw/zinc/38/86/51/1125388651.db2.gz XBRORYRLXSLWLC-ACCUITESSA-N 1 2 345.270 3.535 20 0 EHADLO COc1cc(OC)cc(N2CCC[N@@H+](C/C(Cl)=C\Cl)CC2)c1 ZINC000763589239 1125388652 /nfs/dbraw/zinc/38/86/52/1125388652.db2.gz XBRORYRLXSLWLC-ACCUITESSA-N 1 2 345.270 3.535 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(Cl)cc(Cl)c1 ZINC000619973474 1125444454 /nfs/dbraw/zinc/44/44/54/1125444454.db2.gz WOWZOFPMXCBZEX-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000785461803 1129203496 /nfs/dbraw/zinc/20/34/96/1129203496.db2.gz OSOPBYFGDPQTHG-NUJGCVRESA-N 1 2 348.487 3.670 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000785461803 1129203497 /nfs/dbraw/zinc/20/34/97/1129203497.db2.gz OSOPBYFGDPQTHG-NUJGCVRESA-N 1 2 348.487 3.670 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682518254 1129222238 /nfs/dbraw/zinc/22/22/38/1129222238.db2.gz JBZRXSOVTHYRPL-RBUKOAKNSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)sc2cccc(F)c12 ZINC000115161517 1129241435 /nfs/dbraw/zinc/24/14/35/1129241435.db2.gz JNPBZOKUQVVTDJ-UHFFFAOYSA-N 1 2 343.427 3.976 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000115214822 1129247659 /nfs/dbraw/zinc/24/76/59/1129247659.db2.gz JVHWMVKXHBPYOZ-HXUWFJFHSA-N 1 2 345.446 3.668 20 0 EHADLO Cc1cccn2cc(CCNc3ncc(C(F)(F)F)s3)[nH+]c12 ZINC000682919436 1129250110 /nfs/dbraw/zinc/25/01/10/1129250110.db2.gz IVJZZZVOGVELLC-UHFFFAOYSA-N 1 2 326.347 3.773 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000657338881 1129266597 /nfs/dbraw/zinc/26/65/97/1129266597.db2.gz ICHYMJZTWRTNJL-UHFFFAOYSA-N 1 2 328.460 3.860 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000922163941 1129271249 /nfs/dbraw/zinc/27/12/49/1129271249.db2.gz UQTQUCBORZRMDT-NSHDSACASA-N 1 2 329.753 3.820 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000499685725 1129343983 /nfs/dbraw/zinc/34/39/83/1129343983.db2.gz IQRYOEAJKJRYFL-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000499685725 1129343988 /nfs/dbraw/zinc/34/39/88/1129343988.db2.gz IQRYOEAJKJRYFL-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000068254692 1129356006 /nfs/dbraw/zinc/35/60/06/1129356006.db2.gz BDUBESXSDRDMOT-ROUUACIJSA-N 1 2 340.854 3.576 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1occc1-c1ccccc1 ZINC000068254257 1129356045 /nfs/dbraw/zinc/35/60/45/1129356045.db2.gz LNXNURRBEBNJEN-UHFFFAOYSA-N 1 2 332.403 3.692 20 0 EHADLO CC[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068419557 1129369387 /nfs/dbraw/zinc/36/93/87/1129369387.db2.gz HTNUJJQVYCJJBI-QGZVFWFLSA-N 1 2 325.456 3.974 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4ccc(C)cc4)C3)ccc2[nH+]1 ZINC000543306283 1129401024 /nfs/dbraw/zinc/40/10/24/1129401024.db2.gz JGDRQHOXALEHBW-KRWDZBQOSA-N 1 2 334.423 3.973 20 0 EHADLO O=C(CCC1CCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471031 1129444764 /nfs/dbraw/zinc/44/47/64/1129444764.db2.gz IASSNYDYYQIDPV-UHFFFAOYSA-N 1 2 335.517 3.578 20 0 EHADLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1C ZINC000673471121 1129444943 /nfs/dbraw/zinc/44/49/43/1129444943.db2.gz IGZNZFHRQFZFPT-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000117474395 1129445116 /nfs/dbraw/zinc/44/51/16/1129445116.db2.gz BTPILHOPULAGOO-QGZVFWFLSA-N 1 2 344.503 3.794 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cc1Br)CO2 ZINC000466449142 1129458362 /nfs/dbraw/zinc/45/83/62/1129458362.db2.gz LGQNVSIUWCGPEO-CQSZACIVSA-N 1 2 340.167 3.951 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2ccc(Cl)c(C)c2Cl)on1 ZINC000922318399 1129460546 /nfs/dbraw/zinc/46/05/46/1129460546.db2.gz SGXVZXUOULJODQ-UHFFFAOYSA-N 1 2 343.210 3.756 20 0 EHADLO CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000499813062 1129518356 /nfs/dbraw/zinc/51/83/56/1129518356.db2.gz OJGYJIRHOJHGRG-YQVWRLOYSA-N 1 2 338.536 3.599 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1F ZINC000543484624 1129519051 /nfs/dbraw/zinc/51/90/51/1129519051.db2.gz BWEJWSYRIVJAMI-KRWDZBQOSA-N 1 2 348.418 3.669 20 0 EHADLO Cn1c(C[NH2+]Cc2nccc3c2CCCC3)nc2ccc(Cl)cc21 ZINC000922467547 1129543774 /nfs/dbraw/zinc/54/37/74/1129543774.db2.gz XNPQKFURRNBGPP-UHFFFAOYSA-N 1 2 340.858 3.790 20 0 EHADLO C[C@@H](CC(=O)OCc1ccc[nH+]c1N)c1cccc(C(F)(F)F)c1 ZINC000922473492 1129544776 /nfs/dbraw/zinc/54/47/76/1129544776.db2.gz TYFUSYGSYZGSJV-NSHDSACASA-N 1 2 338.329 3.920 20 0 EHADLO Fc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1OC(F)(F)F ZINC000922473868 1129545391 /nfs/dbraw/zinc/54/53/91/1129545391.db2.gz ZLMUAZDPVVAKKX-UHFFFAOYSA-N 1 2 346.349 3.959 20 0 EHADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000922522010 1129561672 /nfs/dbraw/zinc/56/16/72/1129561672.db2.gz PPZRZJKBTYGKPH-OXQOHEQNSA-N 1 2 343.398 3.799 20 0 EHADLO Fc1ccc2ccc(C[NH2+][C@@H](c3ncccn3)C3CC3)nc2c1F ZINC000922580175 1129579785 /nfs/dbraw/zinc/57/97/85/1129579785.db2.gz YLYRPWNJTHOXIR-QGZVFWFLSA-N 1 2 326.350 3.544 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@@](C)(CC(=O)OC)c2cccc(F)c2)o1 ZINC000428944531 1129627724 /nfs/dbraw/zinc/62/77/24/1129627724.db2.gz UDSNFEDQWYHGJW-IBGZPJMESA-N 1 2 348.418 3.643 20 0 EHADLO FC1(F)CCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000390846387 1129637965 /nfs/dbraw/zinc/63/79/65/1129637965.db2.gz GGZAITXOMRIFRS-GFCCVEGCSA-N 1 2 329.354 3.663 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347734098 1129667025 /nfs/dbraw/zinc/66/70/25/1129667025.db2.gz YIAHIWFZQAHMBC-AWEZNQCLSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347734098 1129667028 /nfs/dbraw/zinc/66/70/28/1129667028.db2.gz YIAHIWFZQAHMBC-AWEZNQCLSA-N 1 2 341.842 3.851 20 0 EHADLO COC(=O)c1cnoc1C[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000509029879 1129673951 /nfs/dbraw/zinc/67/39/51/1129673951.db2.gz JEZGBDCAJHGWHW-UHFFFAOYSA-N 1 2 330.428 3.784 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168735382 1129677434 /nfs/dbraw/zinc/67/74/34/1129677434.db2.gz RVHPRYOQHRPFRO-NSHDSACASA-N 1 2 341.764 3.538 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168735382 1129677437 /nfs/dbraw/zinc/67/74/37/1129677437.db2.gz RVHPRYOQHRPFRO-NSHDSACASA-N 1 2 341.764 3.538 20 0 EHADLO CC[C@@H](C)[C@@H]([NH2+]Cc1oncc1C(=O)OC)c1ccc(Cl)cc1 ZINC000509033917 1129678137 /nfs/dbraw/zinc/67/81/37/1129678137.db2.gz RREALLCZLORCIT-BDJLRTHQSA-N 1 2 336.819 3.992 20 0 EHADLO Oc1ccc(F)c(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1F ZINC000509037526 1129682058 /nfs/dbraw/zinc/68/20/58/1129682058.db2.gz LCBYMCOJRQIHNO-HNNXBMFYSA-N 1 2 333.378 3.504 20 0 EHADLO Oc1ccc(F)c(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1F ZINC000509037526 1129682062 /nfs/dbraw/zinc/68/20/62/1129682062.db2.gz LCBYMCOJRQIHNO-HNNXBMFYSA-N 1 2 333.378 3.504 20 0 EHADLO C[C@H]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001783 1129684475 /nfs/dbraw/zinc/68/44/75/1129684475.db2.gz WYCJLKCSZAFGMH-HOCLYGCPSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@H]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001783 1129684477 /nfs/dbraw/zinc/68/44/77/1129684477.db2.gz WYCJLKCSZAFGMH-HOCLYGCPSA-N 1 2 349.906 3.528 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[S@@]1=O ZINC000347755074 1129689453 /nfs/dbraw/zinc/68/94/53/1129689453.db2.gz NJHGDVLOYHBRQG-QHCPKHFHSA-N 1 2 349.418 3.708 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[S@@]1=O ZINC000347755074 1129689455 /nfs/dbraw/zinc/68/94/55/1129689455.db2.gz NJHGDVLOYHBRQG-QHCPKHFHSA-N 1 2 349.418 3.708 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H]1C ZINC000347763611 1129702152 /nfs/dbraw/zinc/70/21/52/1129702152.db2.gz OZQCVJZOVRVSJE-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000509068143 1129718048 /nfs/dbraw/zinc/71/80/48/1129718048.db2.gz HULFPRIDBXZNBQ-IERDGZPVSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000509068143 1129718050 /nfs/dbraw/zinc/71/80/50/1129718050.db2.gz HULFPRIDBXZNBQ-IERDGZPVSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2Cl)cc1 ZINC000021671606 1129729981 /nfs/dbraw/zinc/72/99/81/1129729981.db2.gz BYLBNRKZZMNWMI-OAHLLOKOSA-N 1 2 330.859 3.785 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2Cl)cc1 ZINC000021671606 1129729985 /nfs/dbraw/zinc/72/99/85/1129729985.db2.gz BYLBNRKZZMNWMI-OAHLLOKOSA-N 1 2 330.859 3.785 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCCOCC3)co2)cc1C(F)(F)F ZINC000625115442 1129737552 /nfs/dbraw/zinc/73/75/52/1129737552.db2.gz AHHPOFBKUSXIMM-UHFFFAOYSA-N 1 2 344.308 3.722 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCCOCC3)co2)cc1C(F)(F)F ZINC000625115442 1129737554 /nfs/dbraw/zinc/73/75/54/1129737554.db2.gz AHHPOFBKUSXIMM-UHFFFAOYSA-N 1 2 344.308 3.722 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000929325757 1129755616 /nfs/dbraw/zinc/75/56/16/1129755616.db2.gz LKSBBZZXTILCIJ-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1nnsc1[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000929325757 1129755619 /nfs/dbraw/zinc/75/56/19/1129755619.db2.gz LKSBBZZXTILCIJ-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]Cc2ccncc2Br)sc1C ZINC000625257902 1129785820 /nfs/dbraw/zinc/78/58/20/1129785820.db2.gz XXUCOZUKUBWNGH-UHFFFAOYSA-N 1 2 340.290 3.942 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000014237878 1129801288 /nfs/dbraw/zinc/80/12/88/1129801288.db2.gz JIXSFKCNMMDFIQ-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000014237878 1129801290 /nfs/dbraw/zinc/80/12/90/1129801290.db2.gz JIXSFKCNMMDFIQ-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO Cc1cc(OCC[N@H+](C)Cc2nnc3ccccn32)ccc1C(C)C ZINC000673711796 1129807747 /nfs/dbraw/zinc/80/77/47/1129807747.db2.gz HQQVMGWFQVZOTN-UHFFFAOYSA-N 1 2 338.455 3.672 20 0 EHADLO Cc1cc(OCC[N@@H+](C)Cc2nnc3ccccn32)ccc1C(C)C ZINC000673711796 1129807752 /nfs/dbraw/zinc/80/77/52/1129807752.db2.gz HQQVMGWFQVZOTN-UHFFFAOYSA-N 1 2 338.455 3.672 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000673711965 1129807780 /nfs/dbraw/zinc/80/77/80/1129807780.db2.gz NHPPNCYGTSAXNE-UHFFFAOYSA-N 1 2 340.467 3.571 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000673711965 1129807784 /nfs/dbraw/zinc/80/77/84/1129807784.db2.gz NHPPNCYGTSAXNE-UHFFFAOYSA-N 1 2 340.467 3.571 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)on1 ZINC000131571514 1129810466 /nfs/dbraw/zinc/81/04/66/1129810466.db2.gz WUYWUCXZXWHBGD-GOSISDBHSA-N 1 2 341.455 3.707 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)on1 ZINC000131571514 1129810470 /nfs/dbraw/zinc/81/04/70/1129810470.db2.gz WUYWUCXZXWHBGD-GOSISDBHSA-N 1 2 341.455 3.707 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CCc3ccccc3Cl)[nH+]c12 ZINC000673726762 1129813590 /nfs/dbraw/zinc/81/35/90/1129813590.db2.gz YAGBAKQXJVRYLC-UHFFFAOYSA-N 1 2 341.842 3.588 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(-c4ccccc4)[nH]3)[nH+]c12 ZINC000673726965 1129813740 /nfs/dbraw/zinc/81/37/40/1129813740.db2.gz NTQUWQSKYYRNGU-UHFFFAOYSA-N 1 2 344.418 3.610 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000673771633 1129841781 /nfs/dbraw/zinc/84/17/81/1129841781.db2.gz JDFUMZSRZYKCDQ-UHFFFAOYSA-N 1 2 349.434 3.590 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429125739 1129842330 /nfs/dbraw/zinc/84/23/30/1129842330.db2.gz ZZDSSMGDHPZDGC-STQMWFEESA-N 1 2 346.377 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429125739 1129842334 /nfs/dbraw/zinc/84/23/34/1129842334.db2.gz ZZDSSMGDHPZDGC-STQMWFEESA-N 1 2 346.377 3.575 20 0 EHADLO CCCCCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000673777200 1129844985 /nfs/dbraw/zinc/84/49/85/1129844985.db2.gz MCVCSCGEKLSYRU-UHFFFAOYSA-N 1 2 330.476 3.795 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381656 1129850940 /nfs/dbraw/zinc/85/09/40/1129850940.db2.gz HNFKOTXETDOFBA-RNCFNFMXSA-N 1 2 328.309 3.762 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381656 1129850946 /nfs/dbraw/zinc/85/09/46/1129850946.db2.gz HNFKOTXETDOFBA-RNCFNFMXSA-N 1 2 328.309 3.762 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCc2[nH+]c[nH]c2C1 ZINC000625434949 1129874811 /nfs/dbraw/zinc/87/48/11/1129874811.db2.gz AOJQJQQGFFMODC-NSHDSACASA-N 1 2 328.803 3.837 20 0 EHADLO c1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)no1 ZINC000673886896 1129893920 /nfs/dbraw/zinc/89/39/20/1129893920.db2.gz WGZVBQXJMMGDFO-UHFFFAOYSA-N 1 2 344.418 3.876 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCS2 ZINC000282492134 1129943549 /nfs/dbraw/zinc/94/35/49/1129943549.db2.gz HSXMOMHNHGXBQS-HNNXBMFYSA-N 1 2 346.500 3.759 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008713 1129955571 /nfs/dbraw/zinc/95/55/71/1129955571.db2.gz BITKBLPSTMLXTQ-SPYBWZPUSA-N 1 2 338.426 3.939 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008713 1129955574 /nfs/dbraw/zinc/95/55/74/1129955574.db2.gz BITKBLPSTMLXTQ-SPYBWZPUSA-N 1 2 338.426 3.939 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009774 1129956937 /nfs/dbraw/zinc/95/69/37/1129956937.db2.gz LKENQXHGCFXDKU-HNAYVOBHSA-N 1 2 330.447 3.968 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009774 1129956939 /nfs/dbraw/zinc/95/69/39/1129956939.db2.gz LKENQXHGCFXDKU-HNAYVOBHSA-N 1 2 330.447 3.968 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000674009755 1129957052 /nfs/dbraw/zinc/95/70/52/1129957052.db2.gz LEQRRBSLICVLFZ-ATZDWAIDSA-N 1 2 330.447 3.754 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000674009755 1129957055 /nfs/dbraw/zinc/95/70/55/1129957055.db2.gz LEQRRBSLICVLFZ-ATZDWAIDSA-N 1 2 330.447 3.754 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625647161 1129965159 /nfs/dbraw/zinc/96/51/59/1129965159.db2.gz LYNJPBZPAWPVKU-GARJFASQSA-N 1 2 332.341 3.515 20 0 EHADLO C[C@@H]1C[NH+](Cc2nc(CCc3ccccc3)no2)C[C@@H](C)C1(F)F ZINC000625648243 1129965744 /nfs/dbraw/zinc/96/57/44/1129965744.db2.gz HIUFBGXRPIYBIU-ZIAGYGMSSA-N 1 2 335.398 3.578 20 0 EHADLO Cc1sc2nc(C[NH+]3C[C@H](C)C(F)(F)[C@@H](C)C3)nc(N)c2c1C ZINC000625655156 1129967385 /nfs/dbraw/zinc/96/73/85/1129967385.db2.gz SAWNLZVUDOCXEB-IUCAKERBSA-N 1 2 340.443 3.613 20 0 EHADLO C[C@@H]1C[NH+](Cc2nc(Cc3cccc(F)c3)no2)C[C@@H](C)C1(F)F ZINC000625652428 1129969108 /nfs/dbraw/zinc/96/91/08/1129969108.db2.gz JNMJLKVEVZQFNX-VXGBXAGGSA-N 1 2 339.361 3.523 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc4cnccc4o3)n2)c1 ZINC000657995239 1129994462 /nfs/dbraw/zinc/99/44/62/1129994462.db2.gz LHMONPXXEXIGNX-STQMWFEESA-N 1 2 348.410 3.728 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C3CCCC3)CC2)cc1 ZINC000674077675 1129998176 /nfs/dbraw/zinc/99/81/76/1129998176.db2.gz FTHSYSQHNGZKHJ-QGZVFWFLSA-N 1 2 344.499 3.556 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674088836 1130000926 /nfs/dbraw/zinc/00/09/26/1130000926.db2.gz HFYVTRUCUDMSOD-OAHLLOKOSA-N 1 2 347.846 3.803 20 0 EHADLO COc1ccc([C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000172042245 1130101292 /nfs/dbraw/zinc/10/12/92/1130101292.db2.gz URJDPANKUZINLB-FQEVSTJZSA-N 1 2 347.418 3.762 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000172461207 1130137499 /nfs/dbraw/zinc/13/74/99/1130137499.db2.gz XUASIRLTCKAZJU-ZDUSSCGKSA-N 1 2 325.437 3.603 20 0 EHADLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 ZINC000674749922 1130190153 /nfs/dbraw/zinc/19/01/53/1130190153.db2.gz CRKSBOVSXQULKE-QWRGUYRKSA-N 1 2 342.283 3.653 20 0 EHADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674792231 1130195385 /nfs/dbraw/zinc/19/53/85/1130195385.db2.gz PJUQBBFATWFCKN-CQSZACIVSA-N 1 2 341.308 3.518 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456757 1130235204 /nfs/dbraw/zinc/23/52/04/1130235204.db2.gz NNWKXSQZRPQRMD-JKSUJKDBSA-N 1 2 326.444 3.765 20 0 EHADLO CCCCc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675255838 1130299003 /nfs/dbraw/zinc/29/90/03/1130299003.db2.gz SXUXZLAFYLAFLI-LPHOPBHVSA-N 1 2 325.456 3.949 20 0 EHADLO C[C@@H]1c2c(F)cccc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766103491 1130307619 /nfs/dbraw/zinc/30/76/19/1130307619.db2.gz CGZIVEAKNVEVDC-GFCCVEGCSA-N 1 2 339.418 3.844 20 0 EHADLO FC(F)(F)c1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1Cl ZINC001212536625 1130322619 /nfs/dbraw/zinc/32/26/19/1130322619.db2.gz RXGMFGGZDJNDQM-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO Cc1nc(N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548956 1130426196 /nfs/dbraw/zinc/42/61/96/1130426196.db2.gz BISSPFQKRWVONN-AOOOYVTPSA-N 1 2 327.272 3.579 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675575066 1130428110 /nfs/dbraw/zinc/42/81/10/1130428110.db2.gz KQMRVTKGKNWDTC-UHFFFAOYSA-N 1 2 331.504 3.716 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)nc(N)c2c1C ZINC000676086132 1130530234 /nfs/dbraw/zinc/53/02/34/1130530234.db2.gz YKIVHPXUXKVLSU-OAHLLOKOSA-N 1 2 340.402 3.898 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)nc(N)c2c1C ZINC000676086132 1130530238 /nfs/dbraw/zinc/53/02/38/1130530238.db2.gz YKIVHPXUXKVLSU-OAHLLOKOSA-N 1 2 340.402 3.898 20 0 EHADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H](C)c1cc2ccccc2o1 ZINC000131462244 1130534022 /nfs/dbraw/zinc/53/40/22/1130534022.db2.gz PFBWIWDWQWNQSU-HOCLYGCPSA-N 1 2 337.423 3.801 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727843877 1130601383 /nfs/dbraw/zinc/60/13/83/1130601383.db2.gz NTNWVYTUWNTIHO-CVEARBPZSA-N 1 2 333.476 3.865 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728043133 1130621333 /nfs/dbraw/zinc/62/13/33/1130621333.db2.gz FFPXPULNEIGPLG-GDBMZVCRSA-N 1 2 343.496 3.614 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000728043133 1130621338 /nfs/dbraw/zinc/62/13/38/1130621338.db2.gz FFPXPULNEIGPLG-GDBMZVCRSA-N 1 2 343.496 3.614 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2cccc(C)c2)C1 ZINC000728046054 1130621354 /nfs/dbraw/zinc/62/13/54/1130621354.db2.gz XUNJDMSBZOALEB-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC000728046054 1130621358 /nfs/dbraw/zinc/62/13/58/1130621358.db2.gz XUNJDMSBZOALEB-OAHLLOKOSA-N 1 2 330.497 3.823 20 0 EHADLO CO[C@H]1CCC[N@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)C1 ZINC000728050718 1130621753 /nfs/dbraw/zinc/62/17/53/1130621753.db2.gz XZUAQAZQUYTEBO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cn2ccn(-c3ccc(C)cc3C)c2=S)C1 ZINC000728050718 1130621757 /nfs/dbraw/zinc/62/17/57/1130621757.db2.gz XZUAQAZQUYTEBO-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CO[C@H]1CCC[N@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)C1 ZINC000728050696 1130621783 /nfs/dbraw/zinc/62/17/83/1130621783.db2.gz XBINMNRZCLDQJU-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)C1 ZINC000728050696 1130621788 /nfs/dbraw/zinc/62/17/88/1130621788.db2.gz XBINMNRZCLDQJU-KRWDZBQOSA-N 1 2 331.485 3.693 20 0 EHADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056147 1130621976 /nfs/dbraw/zinc/62/19/76/1130621976.db2.gz FYEDPVWOSBGCDH-OAHLLOKOSA-N 1 2 328.378 3.615 20 0 EHADLO CC(C)CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056147 1130621981 /nfs/dbraw/zinc/62/19/81/1130621981.db2.gz FYEDPVWOSBGCDH-OAHLLOKOSA-N 1 2 328.378 3.615 20 0 EHADLO CSc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000731670283 1130827170 /nfs/dbraw/zinc/82/71/70/1130827170.db2.gz URSBLFAWYODUGW-AWEZNQCLSA-N 1 2 336.501 3.850 20 0 EHADLO CSc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000731670283 1130827175 /nfs/dbraw/zinc/82/71/75/1130827175.db2.gz URSBLFAWYODUGW-AWEZNQCLSA-N 1 2 336.501 3.850 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1C ZINC000732209579 1130897132 /nfs/dbraw/zinc/89/71/32/1130897132.db2.gz NFLLXSRGJSEVAP-VCBZYWHSSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1oc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1C ZINC000732209579 1130897142 /nfs/dbraw/zinc/89/71/42/1130897142.db2.gz NFLLXSRGJSEVAP-VCBZYWHSSA-N 1 2 343.423 3.725 20 0 EHADLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732984627 1130978224 /nfs/dbraw/zinc/97/82/24/1130978224.db2.gz ACLMVZOGVXRALQ-GOSISDBHSA-N 1 2 336.426 3.749 20 0 EHADLO CC(C)CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732984627 1130978227 /nfs/dbraw/zinc/97/82/27/1130978227.db2.gz ACLMVZOGVXRALQ-GOSISDBHSA-N 1 2 336.426 3.749 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000733308903 1131020422 /nfs/dbraw/zinc/02/04/22/1131020422.db2.gz UUALEEGBIHDMNC-UHFFFAOYSA-N 1 2 330.428 3.850 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)CC12CCC2 ZINC000282566060 1131097420 /nfs/dbraw/zinc/09/74/20/1131097420.db2.gz ZAESEQUKRHJOJB-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)CC12CCC2 ZINC000282566060 1131097425 /nfs/dbraw/zinc/09/74/25/1131097425.db2.gz ZAESEQUKRHJOJB-LBPRGKRZSA-N 1 2 341.333 3.884 20 0 EHADLO CCOc1cc(C[NH2+][C@H](C)c2cc(C)on2)ccc1OC(F)F ZINC000282697565 1131150962 /nfs/dbraw/zinc/15/09/62/1131150962.db2.gz OMRKHYYLZPRAEL-LLVKDONJSA-N 1 2 326.343 3.834 20 0 EHADLO C[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000626092640 1131153405 /nfs/dbraw/zinc/15/34/05/1131153405.db2.gz BBPJHUPFGFJZRD-UKRRQHHQSA-N 1 2 325.403 3.508 20 0 EHADLO COc1ccc(CC[C@@H](C)[NH2+]c2ccc(N3CCOCC3)cc2)cc1 ZINC000378957542 1131168278 /nfs/dbraw/zinc/16/82/78/1131168278.db2.gz NLKKOHOWUROFTL-QGZVFWFLSA-N 1 2 340.467 3.965 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-c2ccccc2)cc1 ZINC000734358507 1131224884 /nfs/dbraw/zinc/22/48/84/1131224884.db2.gz KNIPKCYRQUPVQV-UHFFFAOYSA-N 1 2 331.419 3.981 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCCO[C@@H](C)C3)c2=S)c1 ZINC000738160662 1131462805 /nfs/dbraw/zinc/46/28/05/1131462805.db2.gz KGXWDCKQGFTUGK-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCCO[C@@H](C)C3)c2=S)c1 ZINC000738160662 1131462807 /nfs/dbraw/zinc/46/28/07/1131462807.db2.gz KGXWDCKQGFTUGK-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738226653 1131463565 /nfs/dbraw/zinc/46/35/65/1131463565.db2.gz YPYBVZQZLPATBE-AWEZNQCLSA-N 1 2 332.473 3.634 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738226653 1131463568 /nfs/dbraw/zinc/46/35/68/1131463568.db2.gz YPYBVZQZLPATBE-AWEZNQCLSA-N 1 2 332.473 3.634 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000738218951 1131463609 /nfs/dbraw/zinc/46/36/09/1131463609.db2.gz HPVDFCZKYOITMF-INIZCTEOSA-N 1 2 348.541 3.968 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000738218951 1131463613 /nfs/dbraw/zinc/46/36/13/1131463613.db2.gz HPVDFCZKYOITMF-INIZCTEOSA-N 1 2 348.541 3.968 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000738310016 1131467644 /nfs/dbraw/zinc/46/76/44/1131467644.db2.gz UFUCHNNBDNAJSR-KRWDZBQOSA-N 1 2 330.403 3.636 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948824 1131490539 /nfs/dbraw/zinc/49/05/39/1131490539.db2.gz IDCWKZFQXZMHIW-LBPRGKRZSA-N 1 2 328.803 3.740 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](Cc2ccccc2)C(C)C)c1C ZINC000739534647 1131507423 /nfs/dbraw/zinc/50/74/23/1131507423.db2.gz NFRODUVKASCFTQ-GOSISDBHSA-N 1 2 340.467 3.838 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000739687371 1131509741 /nfs/dbraw/zinc/50/97/41/1131509741.db2.gz DQVHOQOXQFSIGO-UHFFFAOYSA-N 1 2 346.431 3.503 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000740001261 1131516093 /nfs/dbraw/zinc/51/60/93/1131516093.db2.gz IWJWXFIJHKIYJS-GOSISDBHSA-N 1 2 343.858 3.932 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860386 1131549468 /nfs/dbraw/zinc/54/94/68/1131549468.db2.gz PTCSDKDVZXNFTK-GJZGRUSLSA-N 1 2 334.419 3.571 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860386 1131549471 /nfs/dbraw/zinc/54/94/71/1131549471.db2.gz PTCSDKDVZXNFTK-GJZGRUSLSA-N 1 2 334.419 3.571 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988394 1131563542 /nfs/dbraw/zinc/56/35/42/1131563542.db2.gz ZVYKWXKGVRGTRV-GJZGRUSLSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000740988394 1131563546 /nfs/dbraw/zinc/56/35/46/1131563546.db2.gz ZVYKWXKGVRGTRV-GJZGRUSLSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccc(Cl)cc1 ZINC000741028843 1131571665 /nfs/dbraw/zinc/57/16/65/1131571665.db2.gz JLEILVPHQOZPHZ-UONOGXRCSA-N 1 2 337.847 3.719 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(C)ccc1OC)c1ccccc1 ZINC000741150666 1131583887 /nfs/dbraw/zinc/58/38/87/1131583887.db2.gz KQSOBTHJRAYMSP-IBGZPJMESA-N 1 2 327.424 3.740 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(C)ccc1OC)c1ccccc1 ZINC000741150666 1131583890 /nfs/dbraw/zinc/58/38/90/1131583890.db2.gz KQSOBTHJRAYMSP-IBGZPJMESA-N 1 2 327.424 3.740 20 0 EHADLO CCc1nc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000741349273 1131598044 /nfs/dbraw/zinc/59/80/44/1131598044.db2.gz BOCADSYRPIAULT-QGZVFWFLSA-N 1 2 344.480 3.803 20 0 EHADLO CCc1nc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000741349273 1131598046 /nfs/dbraw/zinc/59/80/46/1131598046.db2.gz BOCADSYRPIAULT-QGZVFWFLSA-N 1 2 344.480 3.803 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000741786262 1131647523 /nfs/dbraw/zinc/64/75/23/1131647523.db2.gz DYWRUICLZOYQGS-HOCLYGCPSA-N 1 2 335.444 3.573 20 0 EHADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000741786262 1131647527 /nfs/dbraw/zinc/64/75/27/1131647527.db2.gz DYWRUICLZOYQGS-HOCLYGCPSA-N 1 2 335.444 3.573 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3cccc(F)c3o2)c1C ZINC000741914515 1131667459 /nfs/dbraw/zinc/66/74/59/1131667459.db2.gz HHTHAYDAPNOKOG-UHFFFAOYSA-N 1 2 328.343 3.522 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742144228 1131690612 /nfs/dbraw/zinc/69/06/12/1131690612.db2.gz AIUREIXQBDOIPR-ZDUSSCGKSA-N 1 2 328.485 3.786 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)C1 ZINC000742144228 1131690615 /nfs/dbraw/zinc/69/06/15/1131690615.db2.gz AIUREIXQBDOIPR-ZDUSSCGKSA-N 1 2 328.485 3.786 20 0 EHADLO Cn1c(=S)n(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1ccc(Cl)cc1 ZINC000742167114 1131692437 /nfs/dbraw/zinc/69/24/37/1131692437.db2.gz TXEMWHOXHIBUOZ-OKILXGFUSA-N 1 2 348.903 3.817 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)nc1-c1ccc(Cl)cc1 ZINC000742167114 1131692440 /nfs/dbraw/zinc/69/24/40/1131692440.db2.gz TXEMWHOXHIBUOZ-OKILXGFUSA-N 1 2 348.903 3.817 20 0 EHADLO CCC1(O)CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000742174550 1131693026 /nfs/dbraw/zinc/69/30/26/1131693026.db2.gz CDDMSIYEIRRRLL-UHFFFAOYSA-N 1 2 326.849 3.812 20 0 EHADLO CCC1(O)CC[NH+](Cn2ccn(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000742174488 1131693273 /nfs/dbraw/zinc/69/32/73/1131693273.db2.gz BETXKMWGLLHHRA-UHFFFAOYSA-N 1 2 345.512 3.820 20 0 EHADLO CCc1nn(C)cc1C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000180330298 1131695897 /nfs/dbraw/zinc/69/58/97/1131695897.db2.gz HBBQLEQNRNZMJU-QGZVFWFLSA-N 1 2 335.904 3.926 20 0 EHADLO CCc1nn(C)cc1C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000180330298 1131695899 /nfs/dbraw/zinc/69/58/99/1131695899.db2.gz HBBQLEQNRNZMJU-QGZVFWFLSA-N 1 2 335.904 3.926 20 0 EHADLO C[C@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000742197347 1131696605 /nfs/dbraw/zinc/69/66/05/1131696605.db2.gz RAKIUHARCHYNRV-LPHOPBHVSA-N 1 2 340.492 3.683 20 0 EHADLO C[C@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000742197347 1131696608 /nfs/dbraw/zinc/69/66/08/1131696608.db2.gz RAKIUHARCHYNRV-LPHOPBHVSA-N 1 2 340.492 3.683 20 0 EHADLO CCCCC[C@H](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000742490911 1131736915 /nfs/dbraw/zinc/73/69/15/1131736915.db2.gz GNVMANGFZKRXRS-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCC[C@H](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000742490911 1131736924 /nfs/dbraw/zinc/73/69/24/1131736924.db2.gz GNVMANGFZKRXRS-ICSRJNTNSA-N 1 2 346.515 3.610 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000742633737 1131765534 /nfs/dbraw/zinc/76/55/34/1131765534.db2.gz GWKOSPHAAYKNNF-PSKZRQQASA-N 1 2 344.484 3.514 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Cc4ccncc4)cc3)cc2)C1 ZINC001212669059 1131768950 /nfs/dbraw/zinc/76/89/50/1131768950.db2.gz FBFRKMOYWHZSDR-UHFFFAOYSA-N 1 2 345.446 3.593 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCN(C2CC2)CC1 ZINC001172571438 1131777630 /nfs/dbraw/zinc/77/76/30/1131777630.db2.gz OCOQYQKEZLLWRR-LBPRGKRZSA-N 1 2 328.834 3.719 20 0 EHADLO COc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc2ccccc21 ZINC001212672678 1131790924 /nfs/dbraw/zinc/79/09/24/1131790924.db2.gz UKECYPHJCBWYCK-UHFFFAOYSA-N 1 2 334.419 3.769 20 0 EHADLO COC(=O)[C@H]1CCC[C@@H]([N@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623494 1131809452 /nfs/dbraw/zinc/80/94/52/1131809452.db2.gz RMAOBSSEZIRPKT-LSDHHAIUSA-N 1 2 342.464 3.858 20 0 EHADLO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2Cc3nc(-c4ccccc4)sc3C2)C1 ZINC001172623494 1131809460 /nfs/dbraw/zinc/80/94/60/1131809460.db2.gz RMAOBSSEZIRPKT-LSDHHAIUSA-N 1 2 342.464 3.858 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710631 1131833607 /nfs/dbraw/zinc/83/36/07/1131833607.db2.gz ZONVNKLOBPZWKV-RTBURBONSA-N 1 2 343.854 3.571 20 0 EHADLO CCOC(=O)C1([NH2+][C@H](C)Cc2c(F)cccc2Cl)CCCC1 ZINC001172837097 1131858742 /nfs/dbraw/zinc/85/87/42/1131858742.db2.gz KPSSIUNTFFNEST-GFCCVEGCSA-N 1 2 327.827 3.876 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001172868356 1131862217 /nfs/dbraw/zinc/86/22/17/1131862217.db2.gz GDJRGQIGCZCEFJ-NSHDSACASA-N 1 2 338.776 3.590 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2nccs2)CC1 ZINC001172845993 1131868579 /nfs/dbraw/zinc/86/85/79/1131868579.db2.gz AGHCQCUAOPUJMC-GFCCVEGCSA-N 1 2 339.867 3.689 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000743358387 1131901070 /nfs/dbraw/zinc/90/10/70/1131901070.db2.gz WMEBEKZHHKVNFX-UHFFFAOYSA-N 1 2 334.410 3.822 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000743358387 1131901077 /nfs/dbraw/zinc/90/10/77/1131901077.db2.gz WMEBEKZHHKVNFX-UHFFFAOYSA-N 1 2 334.410 3.822 20 0 EHADLO C[N@H+](CCOc1ccccc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743347189 1131906071 /nfs/dbraw/zinc/90/60/71/1131906071.db2.gz JVECCLUHZDUPSL-SFHVURJKSA-N 1 2 344.842 3.582 20 0 EHADLO C[N@@H+](CCOc1ccccc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743347189 1131906075 /nfs/dbraw/zinc/90/60/75/1131906075.db2.gz JVECCLUHZDUPSL-SFHVURJKSA-N 1 2 344.842 3.582 20 0 EHADLO CCOc1ccc(C[N@H+](C)CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000743347300 1131906152 /nfs/dbraw/zinc/90/61/52/1131906152.db2.gz NIPMCVONJOIHIP-JXFKEZNVSA-N 1 2 338.451 3.694 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000743347300 1131906157 /nfs/dbraw/zinc/90/61/57/1131906157.db2.gz NIPMCVONJOIHIP-JXFKEZNVSA-N 1 2 338.451 3.694 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000743350666 1131907085 /nfs/dbraw/zinc/90/70/85/1131907085.db2.gz LGROBXJHKAHUTP-CYBMUJFWSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000743350666 1131907087 /nfs/dbraw/zinc/90/70/87/1131907087.db2.gz LGROBXJHKAHUTP-CYBMUJFWSA-N 1 2 328.378 3.743 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CCC4(CCCC4)C3)[nH]2)cc1 ZINC000743391824 1131908655 /nfs/dbraw/zinc/90/86/55/1131908655.db2.gz YKEOVNJFXAAXNV-UHFFFAOYSA-N 1 2 344.484 3.840 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CCC4(CCCC4)C3)[nH]2)cc1 ZINC000743391824 1131908666 /nfs/dbraw/zinc/90/86/66/1131908666.db2.gz YKEOVNJFXAAXNV-UHFFFAOYSA-N 1 2 344.484 3.840 20 0 EHADLO Fc1ccc(Br)c(Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001212694019 1131921600 /nfs/dbraw/zinc/92/16/00/1131921600.db2.gz FQDVSBDAENTTDF-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000743477887 1131923936 /nfs/dbraw/zinc/92/39/36/1131923936.db2.gz SMACZOQFDQOVFU-GDBMZVCRSA-N 1 2 343.496 3.860 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000743478194 1131924437 /nfs/dbraw/zinc/92/44/37/1131924437.db2.gz SMACZOQFDQOVFU-GOEBONIOSA-N 1 2 343.496 3.860 20 0 EHADLO CCOC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC001212695711 1131928187 /nfs/dbraw/zinc/92/81/87/1131928187.db2.gz PZHNQOLLPKIXSF-UHFFFAOYSA-N 1 2 339.370 3.991 20 0 EHADLO CN(C)C(=O)Oc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699241 1131933247 /nfs/dbraw/zinc/93/32/47/1131933247.db2.gz VSUBLHLSENZCOL-UHFFFAOYSA-N 1 2 336.395 3.735 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000743490347 1131933273 /nfs/dbraw/zinc/93/32/73/1131933273.db2.gz NZKSBPAQBNIACA-SZMVWBNQSA-N 1 2 333.472 3.783 20 0 EHADLO COc1ccc(NC(C)=O)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696887 1131936218 /nfs/dbraw/zinc/93/62/18/1131936218.db2.gz RWRGRIXRXZDRNK-UHFFFAOYSA-N 1 2 336.395 3.642 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C(C)=O)c1 ZINC001212698634 1131937552 /nfs/dbraw/zinc/93/75/52/1131937552.db2.gz YXCFVBAQBWSHRE-UHFFFAOYSA-N 1 2 349.390 3.664 20 0 EHADLO CCOC(=O)c1ncn2c1C[N@@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173118346 1131973250 /nfs/dbraw/zinc/97/32/50/1131973250.db2.gz VEYFTCBFYCRARD-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1ncn2c1C[N@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173118346 1131973255 /nfs/dbraw/zinc/97/32/55/1131973255.db2.gz VEYFTCBFYCRARD-UHFFFAOYSA-N 1 2 345.487 3.769 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC[N@@H+]1C ZINC000742193304 1132093109 /nfs/dbraw/zinc/09/31/09/1132093109.db2.gz AQSCIPJCRHUANV-UKRRQHHQSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC[N@H+]1C ZINC000742193304 1132093115 /nfs/dbraw/zinc/09/31/15/1132093115.db2.gz AQSCIPJCRHUANV-UKRRQHHQSA-N 1 2 334.529 3.675 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1 ZINC000744430910 1132096832 /nfs/dbraw/zinc/09/68/32/1132096832.db2.gz AALMVLRLCOLHGM-HNNXBMFYSA-N 1 2 338.879 3.503 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1 ZINC000744430910 1132096841 /nfs/dbraw/zinc/09/68/41/1132096841.db2.gz AALMVLRLCOLHGM-HNNXBMFYSA-N 1 2 338.879 3.503 20 0 EHADLO CCOC(=O)CC[N@H+](Cn1cc(-c2ccccc2)oc1=S)C1CC1 ZINC000065187676 1132116917 /nfs/dbraw/zinc/11/69/17/1132116917.db2.gz LNWSRBLEBZMOIT-UHFFFAOYSA-N 1 2 346.452 3.853 20 0 EHADLO CCOC(=O)CC[N@@H+](Cn1cc(-c2ccccc2)oc1=S)C1CC1 ZINC000065187676 1132116922 /nfs/dbraw/zinc/11/69/22/1132116922.db2.gz LNWSRBLEBZMOIT-UHFFFAOYSA-N 1 2 346.452 3.853 20 0 EHADLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1F ZINC001173861550 1132156719 /nfs/dbraw/zinc/15/67/19/1132156719.db2.gz AHXDVGWSVIWPSN-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO COc1ccc(C(C)C)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001173916637 1132174016 /nfs/dbraw/zinc/17/40/16/1132174016.db2.gz AUHYMURSWADYNC-UHFFFAOYSA-N 1 2 327.428 3.794 20 0 EHADLO O=C(OCCC1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744963206 1132175555 /nfs/dbraw/zinc/17/55/55/1132175555.db2.gz IAJXWPHBYZJBGE-HXUWFJFHSA-N 1 2 345.483 3.698 20 0 EHADLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(OC)c1 ZINC001173890119 1132182248 /nfs/dbraw/zinc/18/22/48/1132182248.db2.gz MWZYCIYUCRIQGL-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)ccc1OC ZINC001173956294 1132183601 /nfs/dbraw/zinc/18/36/01/1132183601.db2.gz FUKRANHEAMJANV-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1C ZINC001173953020 1132193785 /nfs/dbraw/zinc/19/37/85/1132193785.db2.gz PNPMYTNWTLYWHK-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084439 1132194922 /nfs/dbraw/zinc/19/49/22/1132194922.db2.gz TYPGXRVATKBXPY-QAPCUYQASA-N 1 2 346.471 3.555 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000745084439 1132194925 /nfs/dbraw/zinc/19/49/25/1132194925.db2.gz TYPGXRVATKBXPY-QAPCUYQASA-N 1 2 346.471 3.555 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Cl)cc1Br ZINC000745078189 1132195250 /nfs/dbraw/zinc/19/52/50/1132195250.db2.gz BAKTWBFVGFNERV-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Cl)cc1Br ZINC000745078189 1132195252 /nfs/dbraw/zinc/19/52/52/1132195252.db2.gz BAKTWBFVGFNERV-CYBMUJFWSA-N 1 2 346.652 3.630 20 0 EHADLO Cc1nc(Nc2cc[nH+]c3ccccc23)nc(Cl)c1Br ZINC001174037121 1132221558 /nfs/dbraw/zinc/22/15/58/1132221558.db2.gz LXXHSVPUNRNLQL-UHFFFAOYSA-N 1 2 349.619 3.915 20 0 EHADLO CC(C)CNC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174077577 1132238034 /nfs/dbraw/zinc/23/80/34/1132238034.db2.gz NCGUIHCHYGXMBY-UHFFFAOYSA-N 1 2 338.455 3.811 20 0 EHADLO CCN(CC)C(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001174163875 1132262372 /nfs/dbraw/zinc/26/23/72/1132262372.db2.gz QNNIPRLPPFZCFQ-UHFFFAOYSA-N 1 2 338.455 3.907 20 0 EHADLO Oc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1Cl ZINC001174434849 1132353615 /nfs/dbraw/zinc/35/36/15/1132353615.db2.gz SLQCRVVEHPJOOK-UHFFFAOYSA-N 1 2 348.830 3.500 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075646 1132359631 /nfs/dbraw/zinc/35/96/31/1132359631.db2.gz JBYZQLWFQKYMPU-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075646 1132359640 /nfs/dbraw/zinc/35/96/40/1132359640.db2.gz JBYZQLWFQKYMPU-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)c1 ZINC000183381573 1132361783 /nfs/dbraw/zinc/36/17/83/1132361783.db2.gz BYJFUHIHHJYYTQ-MRXNPFEDSA-N 1 2 331.391 3.520 20 0 EHADLO Fc1cccc(O[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)c1 ZINC000183381573 1132361792 /nfs/dbraw/zinc/36/17/92/1132361792.db2.gz BYJFUHIHHJYYTQ-MRXNPFEDSA-N 1 2 331.391 3.520 20 0 EHADLO FC(F)(F)Cn1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001174522417 1132398982 /nfs/dbraw/zinc/39/89/82/1132398982.db2.gz YHKJGVZWPPYKDL-UHFFFAOYSA-N 1 2 325.338 3.574 20 0 EHADLO CC(C)c1nc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cn2n1 ZINC001174522139 1132399461 /nfs/dbraw/zinc/39/94/61/1132399461.db2.gz JLUSUNJLJPVMNI-UHFFFAOYSA-N 1 2 336.443 3.982 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(Cc2ccncc2)n1 ZINC001174523175 1132400721 /nfs/dbraw/zinc/40/07/21/1132400721.db2.gz IUEORXGOCQIPDT-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO O=S1(=O)C=Cc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc21 ZINC001174524880 1132401226 /nfs/dbraw/zinc/40/12/26/1132401226.db2.gz UFMBDEUMSDYJBC-UHFFFAOYSA-N 1 2 341.436 3.574 20 0 EHADLO CCOC(=O)Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524154 1132401704 /nfs/dbraw/zinc/40/17/04/1132401704.db2.gz GTIIOFGYAQMFEI-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH]c[nH+]3)n2)cc1C ZINC000188924307 1132439801 /nfs/dbraw/zinc/43/98/01/1132439801.db2.gz IIRHQEVHCWJGMN-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH+]c[nH]3)n2)cc1C ZINC000188924307 1132439808 /nfs/dbraw/zinc/43/98/08/1132439808.db2.gz IIRHQEVHCWJGMN-UHFFFAOYSA-N 1 2 326.425 3.721 20 0 EHADLO c1cc2ccc(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc2[nH]1 ZINC001174748158 1132465673 /nfs/dbraw/zinc/46/56/73/1132465673.db2.gz MBHMDZRCFWNMLQ-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1coc(C2CCC2)n1 ZINC000194098044 1132486013 /nfs/dbraw/zinc/48/60/13/1132486013.db2.gz QBRODTDZXYIZJF-UHFFFAOYSA-N 1 2 326.331 3.519 20 0 EHADLO Clc1ncc2ccccc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174972707 1132509020 /nfs/dbraw/zinc/50/90/20/1132509020.db2.gz BLYRXJWCOAKNDN-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO FC(F)(F)Oc1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975185 1132510416 /nfs/dbraw/zinc/51/04/16/1132510416.db2.gz XINIUUQEYOKEIK-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1c(F)cccc1OC ZINC001174993243 1132524496 /nfs/dbraw/zinc/52/44/96/1132524496.db2.gz ZUZJHHKLODCGCN-UHFFFAOYSA-N 1 2 342.374 3.730 20 0 EHADLO Fc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1F ZINC001174979728 1132533808 /nfs/dbraw/zinc/53/38/08/1132533808.db2.gz SXDAWQPEFOMMKT-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(SC(F)F)cc1 ZINC000746458854 1132542277 /nfs/dbraw/zinc/54/22/77/1132542277.db2.gz XHJKLHFEKRTMTM-UHFFFAOYSA-N 1 2 334.395 3.676 20 0 EHADLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(SC(F)F)cc1 ZINC000746458854 1132542282 /nfs/dbraw/zinc/54/22/82/1132542282.db2.gz XHJKLHFEKRTMTM-UHFFFAOYSA-N 1 2 334.395 3.676 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccns1 ZINC001175110331 1132556321 /nfs/dbraw/zinc/55/63/21/1132556321.db2.gz CUORMQJWHUNNHN-QMMMGPOBSA-N 1 2 337.246 3.633 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001175075387 1132559807 /nfs/dbraw/zinc/55/98/07/1132559807.db2.gz LVFMGXZQKJRCCH-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO COc1ccc(F)c(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001175118654 1132571461 /nfs/dbraw/zinc/57/14/61/1132571461.db2.gz FPRFQLYMQZREOO-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOC[C@]1(C)CC ZINC001168848138 1132586901 /nfs/dbraw/zinc/58/69/01/1132586901.db2.gz KCGPDJIOVKMHLL-IBGZPJMESA-N 1 2 331.412 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOC[C@]1(C)CC ZINC001168848138 1132586910 /nfs/dbraw/zinc/58/69/10/1132586910.db2.gz KCGPDJIOVKMHLL-IBGZPJMESA-N 1 2 331.412 3.610 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC001175229718 1132601741 /nfs/dbraw/zinc/60/17/41/1132601741.db2.gz TVGJFVIRQMGQSH-MFKMUULPSA-N 1 2 334.204 3.866 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC001175229718 1132601742 /nfs/dbraw/zinc/60/17/42/1132601742.db2.gz TVGJFVIRQMGQSH-MFKMUULPSA-N 1 2 334.204 3.866 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC001175244244 1132607225 /nfs/dbraw/zinc/60/72/25/1132607225.db2.gz SJBSORCOZADUGQ-UHFFFAOYSA-N 1 2 326.440 3.970 20 0 EHADLO CN(C)c1ccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)c[nH+]1 ZINC001175341529 1132626192 /nfs/dbraw/zinc/62/61/92/1132626192.db2.gz KSTQPFWUVSYGQD-UHFFFAOYSA-N 1 2 348.385 3.740 20 0 EHADLO COc1ccc(-n2nc(C)cc2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175346162 1132629543 /nfs/dbraw/zinc/62/95/43/1132629543.db2.gz LZASWTFIYVKVMG-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO COC(=O)Cc1ccc(Cl)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352229 1132645289 /nfs/dbraw/zinc/64/52/89/1132645289.db2.gz SSCGVSDQFOEDOE-UHFFFAOYSA-N 1 2 345.830 3.794 20 0 EHADLO Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352921 1132646847 /nfs/dbraw/zinc/64/68/47/1132646847.db2.gz PZOQSLXVWYYVHE-UHFFFAOYSA-N 1 2 336.439 3.626 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(Br)c(C)c1)C1CCC1 ZINC001169073095 1132652374 /nfs/dbraw/zinc/65/23/74/1132652374.db2.gz SPNCCBYWSIKRJE-UHFFFAOYSA-N 1 2 340.261 3.675 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(Br)c(C)c1)C1CCC1 ZINC001169073095 1132652380 /nfs/dbraw/zinc/65/23/80/1132652380.db2.gz SPNCCBYWSIKRJE-UHFFFAOYSA-N 1 2 340.261 3.675 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC001169137789 1132667743 /nfs/dbraw/zinc/66/77/43/1132667743.db2.gz UQZPTHYLNJLESR-OAQYLSRUSA-N 1 2 336.479 3.867 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC001169137789 1132667748 /nfs/dbraw/zinc/66/77/48/1132667748.db2.gz UQZPTHYLNJLESR-OAQYLSRUSA-N 1 2 336.479 3.867 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CCc2cc(F)ccc21 ZINC001169168208 1132685690 /nfs/dbraw/zinc/68/56/90/1132685690.db2.gz OSUNXLPKBFBGBK-IBGZPJMESA-N 1 2 349.409 3.535 20 0 EHADLO FC(F)Oc1cccnc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175504523 1132693133 /nfs/dbraw/zinc/69/31/33/1132693133.db2.gz GAJPJSYGFZYRQJ-UHFFFAOYSA-N 1 2 331.366 3.885 20 0 EHADLO FC(F)Oc1cccnc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504523 1132693136 /nfs/dbraw/zinc/69/31/36/1132693136.db2.gz GAJPJSYGFZYRQJ-UHFFFAOYSA-N 1 2 331.366 3.885 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC001175512435 1132696041 /nfs/dbraw/zinc/69/60/41/1132696041.db2.gz KXSHQLDMCKSKGP-YESZJQIVSA-N 1 2 343.389 3.950 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC001175512435 1132696045 /nfs/dbraw/zinc/69/60/45/1132696045.db2.gz KXSHQLDMCKSKGP-YESZJQIVSA-N 1 2 343.389 3.950 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC001169342569 1132731239 /nfs/dbraw/zinc/73/12/39/1132731239.db2.gz NRYOPPHAJZRNEX-LJQANCHMSA-N 1 2 331.412 3.610 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCO[C@](C)(CC)C1 ZINC001169342569 1132731243 /nfs/dbraw/zinc/73/12/43/1132731243.db2.gz NRYOPPHAJZRNEX-LJQANCHMSA-N 1 2 331.412 3.610 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2nc(Cl)c(Cl)cc2N)c[nH+]1 ZINC001175713036 1132739947 /nfs/dbraw/zinc/73/99/47/1132739947.db2.gz YNVNWZBJXJODKW-UHFFFAOYSA-N 1 2 338.120 3.710 20 0 EHADLO Cc1nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)sc1C ZINC000773514398 1132740622 /nfs/dbraw/zinc/74/06/22/1132740622.db2.gz ZYSPFUCZTZLRNG-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](CF)C3)n2)cc1C ZINC001175714998 1132741296 /nfs/dbraw/zinc/74/12/96/1132741296.db2.gz LCFIWWAGIZZYCL-AWEZNQCLSA-N 1 2 347.459 3.657 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](CF)C3)n2)cc1C ZINC001175714998 1132741304 /nfs/dbraw/zinc/74/13/04/1132741304.db2.gz LCFIWWAGIZZYCL-AWEZNQCLSA-N 1 2 347.459 3.657 20 0 EHADLO CCOC(=O)c1ccc(F)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717935 1132742945 /nfs/dbraw/zinc/74/29/45/1132742945.db2.gz YQFLMGWKRNJCLO-UHFFFAOYSA-N 1 2 343.280 3.742 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC001169420864 1132750458 /nfs/dbraw/zinc/75/04/58/1132750458.db2.gz WDRYDWVNGXSWMR-AWEZNQCLSA-N 1 2 344.405 3.967 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1F)CC2 ZINC001169420864 1132750465 /nfs/dbraw/zinc/75/04/65/1132750465.db2.gz WDRYDWVNGXSWMR-AWEZNQCLSA-N 1 2 344.405 3.967 20 0 EHADLO CC(C)[C@@H](CC(=O)NCCCN(C)c1cccc[nH+]1)c1ccccc1 ZINC001175709058 1132754890 /nfs/dbraw/zinc/75/48/90/1132754890.db2.gz XAOLNKYDLDNVTR-LJQANCHMSA-N 1 2 339.483 3.854 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cnn(C2CCC2)c1 ZINC001175757736 1132759513 /nfs/dbraw/zinc/75/95/13/1132759513.db2.gz NRWVILYOLYUXDQ-UHFFFAOYSA-N 1 2 338.415 3.503 20 0 EHADLO O=C(OCc1cnoc1C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000773524921 1132771630 /nfs/dbraw/zinc/77/16/30/1132771630.db2.gz XYINTBQVWSYRIY-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1cnoc1C1CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000773524921 1132771637 /nfs/dbraw/zinc/77/16/37/1132771637.db2.gz XYINTBQVWSYRIY-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO c1coc(-c2cc(Nc3cccc(C[NH+]4CCOCC4)c3)on2)c1 ZINC001175856330 1132784545 /nfs/dbraw/zinc/78/45/45/1132784545.db2.gz GMYDUTXZRXZJEO-UHFFFAOYSA-N 1 2 325.368 3.510 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc2oc3c(c2c1)CCCC3)[C@H]1CCSC1 ZINC000766759388 1132792259 /nfs/dbraw/zinc/79/22/59/1132792259.db2.gz MBHVTSQQZZFZFL-ZDUSSCGKSA-N 1 2 345.464 3.654 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc2oc3c(c2c1)CCCC3)[C@H]1CCSC1 ZINC000766759388 1132792265 /nfs/dbraw/zinc/79/22/65/1132792265.db2.gz MBHVTSQQZZFZFL-ZDUSSCGKSA-N 1 2 345.464 3.654 20 0 EHADLO O[C@H]1c2ccccc2CC[C@@H]1Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169629759 1132801851 /nfs/dbraw/zinc/80/18/51/1132801851.db2.gz NCTZERIMUROCFY-UNMCSNQZSA-N 1 2 334.463 3.846 20 0 EHADLO CCOC(=O)C[C@@H](Nc1cc2cc(F)ccc2c[nH+]1)c1cccnc1 ZINC001169673590 1132824337 /nfs/dbraw/zinc/82/43/37/1132824337.db2.gz OAQSKTZWZNDNJG-QGZVFWFLSA-N 1 2 339.370 3.875 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001176035772 1132825341 /nfs/dbraw/zinc/82/53/41/1132825341.db2.gz CDKKMFHQXFIEBW-SCLBCKFNSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001176035772 1132825345 /nfs/dbraw/zinc/82/53/45/1132825345.db2.gz CDKKMFHQXFIEBW-SCLBCKFNSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001176035771 1132826071 /nfs/dbraw/zinc/82/60/71/1132826071.db2.gz CDKKMFHQXFIEBW-FZKQIMNGSA-N 1 2 328.412 3.743 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001176035771 1132826077 /nfs/dbraw/zinc/82/60/77/1132826077.db2.gz CDKKMFHQXFIEBW-FZKQIMNGSA-N 1 2 328.412 3.743 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2Cc2cccc3c2OC(F)(F)O3)[nH+]c1C ZINC001176076798 1132830036 /nfs/dbraw/zinc/83/00/36/1132830036.db2.gz IAMAHTFUXAWBCH-ZDUSSCGKSA-N 1 2 335.354 3.685 20 0 EHADLO COC(=O)c1cccc(C(F)(F)F)c1Nc1c[nH+]ccc1OC ZINC001176125266 1132854708 /nfs/dbraw/zinc/85/47/08/1132854708.db2.gz XSECVFJKFHYSLC-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnn4ccc(C)cc34)c2)[nH+]c1C ZINC000766840501 1132865221 /nfs/dbraw/zinc/86/52/21/1132865221.db2.gz ICTDTTLCKJLZQH-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NCc2cccnc2N2CCCC2)c1 ZINC001169859224 1132873162 /nfs/dbraw/zinc/87/31/62/1132873162.db2.gz AAXIAPHBJFBHMA-UHFFFAOYSA-N 1 2 333.439 3.694 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4c(c3)CCC4=O)c2c1 ZINC001176233485 1132883019 /nfs/dbraw/zinc/88/30/19/1132883019.db2.gz MIFXACFDGLHQFB-UHFFFAOYSA-N 1 2 346.386 3.706 20 0 EHADLO Cc1ccc(C)c(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)[nH+]1 ZINC001176405599 1132932293 /nfs/dbraw/zinc/93/22/93/1132932293.db2.gz WRTQRLAKZOPNKV-UHFFFAOYSA-N 1 2 344.358 3.864 20 0 EHADLO CCN(C)C(=O)c1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001176463935 1132941250 /nfs/dbraw/zinc/94/12/50/1132941250.db2.gz FZSCGSNUUOASTM-UHFFFAOYSA-N 1 2 328.803 3.823 20 0 EHADLO Fc1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc(N2CCOCC2)c1 ZINC001176499985 1132950459 /nfs/dbraw/zinc/95/04/59/1132950459.db2.gz UKUUYORBWSYNDU-UHFFFAOYSA-N 1 2 338.386 3.592 20 0 EHADLO COCOc1ccc(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001176715022 1132995856 /nfs/dbraw/zinc/99/58/56/1132995856.db2.gz MUGJUOUHKPYWME-UHFFFAOYSA-N 1 2 331.391 3.937 20 0 EHADLO Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C ZINC001176964682 1133015942 /nfs/dbraw/zinc/01/59/42/1133015942.db2.gz JEVSMLSUUKOFGB-LJQANCHMSA-N 1 2 337.467 3.573 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001177014474 1133021390 /nfs/dbraw/zinc/02/13/90/1133021390.db2.gz YZDFNOZKDADWNO-HXUWFJFHSA-N 1 2 340.442 3.811 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)s1 ZINC001177017901 1133022659 /nfs/dbraw/zinc/02/26/59/1133022659.db2.gz IXWDFPNDFUSNAL-INIZCTEOSA-N 1 2 332.444 3.626 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)s1 ZINC001177017902 1133022712 /nfs/dbraw/zinc/02/27/12/1133022712.db2.gz IXWDFPNDFUSNAL-MRXNPFEDSA-N 1 2 332.444 3.626 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(CCc2ccccc2)oc1=S ZINC000767773038 1133051595 /nfs/dbraw/zinc/05/15/95/1133051595.db2.gz DOGHIIAAEGFYQF-HNNXBMFYSA-N 1 2 349.525 3.776 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(CCc2ccccc2)oc1=S ZINC000767773038 1133051599 /nfs/dbraw/zinc/05/15/99/1133051599.db2.gz DOGHIIAAEGFYQF-HNNXBMFYSA-N 1 2 349.525 3.776 20 0 EHADLO CCCCCC(C)(C)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767842711 1133062070 /nfs/dbraw/zinc/06/20/70/1133062070.db2.gz ISHXVEAJRPGASP-INIZCTEOSA-N 1 2 334.508 3.916 20 0 EHADLO CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc[nH+]1 ZINC001177409754 1133063053 /nfs/dbraw/zinc/06/30/53/1133063053.db2.gz ZLLDCPDMJUQVOP-UHFFFAOYSA-N 1 2 345.446 3.766 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(C)[nH]1 ZINC000773671061 1133070815 /nfs/dbraw/zinc/07/08/15/1133070815.db2.gz SXJIZEDZAVVSNT-UHFFFAOYSA-N 1 2 329.831 3.652 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(C)[nH]1 ZINC000773671061 1133070819 /nfs/dbraw/zinc/07/08/19/1133070819.db2.gz SXJIZEDZAVVSNT-UHFFFAOYSA-N 1 2 329.831 3.652 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767941440 1133073061 /nfs/dbraw/zinc/07/30/61/1133073061.db2.gz WKFUZUONEGCTQK-CXAGYDPISA-N 1 2 333.476 3.817 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(C3CC3)n2)cc1OC ZINC000768231495 1133115171 /nfs/dbraw/zinc/11/51/71/1133115171.db2.gz WVQWNXPZUGZABK-INIZCTEOSA-N 1 2 328.412 3.906 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(C3CC3)n2)cc1OC ZINC000768231495 1133115174 /nfs/dbraw/zinc/11/51/74/1133115174.db2.gz WVQWNXPZUGZABK-INIZCTEOSA-N 1 2 328.412 3.906 20 0 EHADLO C[C@H](C(=O)NC1(Cc2ccccc2)CCC(F)(F)CC1)n1cc[nH+]c1 ZINC001177929208 1133115927 /nfs/dbraw/zinc/11/59/27/1133115927.db2.gz IZAIIIYPTJFWKU-OAHLLOKOSA-N 1 2 347.409 3.751 20 0 EHADLO CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001177998093 1133122747 /nfs/dbraw/zinc/12/27/47/1133122747.db2.gz NEBKHJIMYLQMMH-MRXNPFEDSA-N 1 2 341.455 3.536 20 0 EHADLO Cc1ccccc1-n1cc(CNc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001178131942 1133138580 /nfs/dbraw/zinc/13/85/80/1133138580.db2.gz AJRRVIWNVLNFSZ-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO COc1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)sn1 ZINC001178208392 1133143250 /nfs/dbraw/zinc/14/32/50/1133143250.db2.gz NJQBNMJXNNVGBE-UHFFFAOYSA-N 1 2 338.436 3.679 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1OC ZINC001178444788 1133165005 /nfs/dbraw/zinc/16/50/05/1133165005.db2.gz NIVOKZFCCLOIKC-GFCCVEGCSA-N 1 2 335.473 3.885 20 0 EHADLO Cc1ccc2c(/C=C/C(=O)N(C(N)=[NH2+])c3ccccc3F)c[nH]c2c1 ZINC001178492936 1133167988 /nfs/dbraw/zinc/16/79/88/1133167988.db2.gz IDALBOHMGOSSQS-VQHVLOKHSA-N 1 2 336.370 3.555 20 0 EHADLO COc1nsc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1Cl ZINC001178509397 1133174332 /nfs/dbraw/zinc/17/43/32/1133174332.db2.gz IEJSKZLYQCOFRV-JTQLQIEISA-N 1 2 328.796 3.558 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cnc(C4CC4)s3)c[nH+]2)C[C@@H](C)O1 ZINC001178614407 1133185822 /nfs/dbraw/zinc/18/58/22/1133185822.db2.gz MEBJLXZHWZTENN-CHWSQXEVSA-N 1 2 344.484 3.641 20 0 EHADLO Cc1[nH+]c(NCc2ccn(-c3ccccc3)n2)ccc1-c1cnn(C)c1 ZINC001178778303 1133201637 /nfs/dbraw/zinc/20/16/37/1133201637.db2.gz KYJBWZIJRPWCLJ-UHFFFAOYSA-N 1 2 344.422 3.588 20 0 EHADLO CCNc1nc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)cs1 ZINC000768966689 1133207440 /nfs/dbraw/zinc/20/74/40/1133207440.db2.gz DVQPGAGQUWABRP-UHFFFAOYSA-N 1 2 341.440 3.834 20 0 EHADLO CCn1cc(CNc2ccc3[nH]c(-c4ccc(F)cc4)[nH+]c3c2)nn1 ZINC001178895498 1133207672 /nfs/dbraw/zinc/20/76/72/1133207672.db2.gz NHLRMTUIGHGZPP-UHFFFAOYSA-N 1 2 336.374 3.593 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(O)c1Cl ZINC001179489187 1133254712 /nfs/dbraw/zinc/25/47/12/1133254712.db2.gz INHOLKPPQNQUCC-UHFFFAOYSA-N 1 2 331.803 3.654 20 0 EHADLO C[N@H+](Cc1cscc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333162 1133264980 /nfs/dbraw/zinc/26/49/80/1133264980.db2.gz FHWXVRNKGGRFCM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO C[N@@H+](Cc1cscc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333162 1133264986 /nfs/dbraw/zinc/26/49/86/1133264986.db2.gz FHWXVRNKGGRFCM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H](F)c1ccccc1 ZINC000769373286 1133272456 /nfs/dbraw/zinc/27/24/56/1133272456.db2.gz XCCMAHCBHUTSOK-GOSISDBHSA-N 1 2 339.370 3.611 20 0 EHADLO CCOc1cccc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000769390148 1133275460 /nfs/dbraw/zinc/27/54/60/1133275460.db2.gz VFNDUKNAAGQMCM-GQIGUUNPSA-N 1 2 326.440 3.831 20 0 EHADLO CCOc1cccc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000769390148 1133275463 /nfs/dbraw/zinc/27/54/63/1133275463.db2.gz VFNDUKNAAGQMCM-GQIGUUNPSA-N 1 2 326.440 3.831 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(NC(C)=O)c1 ZINC001179817966 1133286976 /nfs/dbraw/zinc/28/69/76/1133286976.db2.gz TWOHYQHPIZHDBP-UHFFFAOYSA-N 1 2 326.375 3.766 20 0 EHADLO Cc1csc(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000769500261 1133302588 /nfs/dbraw/zinc/30/25/88/1133302588.db2.gz OXSLYWITCGOIOH-UHFFFAOYSA-N 1 2 341.436 3.622 20 0 EHADLO O[C@@H](C[N@H+](Cc1coc(C2CC2)n1)Cc1ccccc1)c1ccco1 ZINC000769539026 1133311636 /nfs/dbraw/zinc/31/16/36/1133311636.db2.gz IKSBIFVMXQAQII-SFHVURJKSA-N 1 2 338.407 3.881 20 0 EHADLO O[C@@H](C[N@@H+](Cc1coc(C2CC2)n1)Cc1ccccc1)c1ccco1 ZINC000769539026 1133311643 /nfs/dbraw/zinc/31/16/43/1133311643.db2.gz IKSBIFVMXQAQII-SFHVURJKSA-N 1 2 338.407 3.881 20 0 EHADLO O[C@H](C[N@H+](Cc1coc(C2CC2)n1)Cc1ccccc1)c1ccco1 ZINC000769539024 1133311672 /nfs/dbraw/zinc/31/16/72/1133311672.db2.gz IKSBIFVMXQAQII-GOSISDBHSA-N 1 2 338.407 3.881 20 0 EHADLO O[C@H](C[N@@H+](Cc1coc(C2CC2)n1)Cc1ccccc1)c1ccco1 ZINC000769539024 1133311677 /nfs/dbraw/zinc/31/16/77/1133311677.db2.gz IKSBIFVMXQAQII-GOSISDBHSA-N 1 2 338.407 3.881 20 0 EHADLO O=C(CSc1ccc2ccccc2n1)Nc1ccn2cc[nH+]c2c1 ZINC001180031863 1133319289 /nfs/dbraw/zinc/31/92/89/1133319289.db2.gz LGCJLBOSENVPNB-UHFFFAOYSA-N 1 2 334.404 3.613 20 0 EHADLO Oc1cc(Br)cnc1C[N@H+](C1CC1)C1CCCCC1 ZINC001180064371 1133324026 /nfs/dbraw/zinc/32/40/26/1133324026.db2.gz GLEVOJMVYXZGOR-UHFFFAOYSA-N 1 2 325.250 3.847 20 0 EHADLO Oc1cc(Br)cnc1C[N@@H+](C1CC1)C1CCCCC1 ZINC001180064371 1133324032 /nfs/dbraw/zinc/32/40/32/1133324032.db2.gz GLEVOJMVYXZGOR-UHFFFAOYSA-N 1 2 325.250 3.847 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769753697 1133337142 /nfs/dbraw/zinc/33/71/42/1133337142.db2.gz OUIPAHFVYPYQCO-HECSCLNYSA-N 1 2 343.858 3.883 20 0 EHADLO Brc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cn1 ZINC001180208992 1133344061 /nfs/dbraw/zinc/34/40/61/1133344061.db2.gz VAEUMCNKZNJDGW-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO Brc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cn1 ZINC001180208992 1133344067 /nfs/dbraw/zinc/34/40/67/1133344067.db2.gz VAEUMCNKZNJDGW-MRXNPFEDSA-N 1 2 347.256 3.808 20 0 EHADLO COc1ccccc1CN1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC001180208619 1133344124 /nfs/dbraw/zinc/34/41/24/1133344124.db2.gz OAMUOLWGASQYBL-ALCCZGGFSA-N 1 2 340.442 3.665 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000769781008 1133345136 /nfs/dbraw/zinc/34/51/36/1133345136.db2.gz BZGBAAIPTARIJM-OAHLLOKOSA-N 1 2 336.426 3.606 20 0 EHADLO CN(C)c1c(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)ccc(F)c1F ZINC001180228889 1133347214 /nfs/dbraw/zinc/34/72/14/1133347214.db2.gz DSURQQGYDKEFFF-FQEVSTJZSA-N 1 2 346.421 3.778 20 0 EHADLO CN(C)c1c(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)ccc(F)c1F ZINC001180228889 1133347218 /nfs/dbraw/zinc/34/72/18/1133347218.db2.gz DSURQQGYDKEFFF-FQEVSTJZSA-N 1 2 346.421 3.778 20 0 EHADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccnn1CCc1ccccc1)CC2 ZINC001180296843 1133358545 /nfs/dbraw/zinc/35/85/45/1133358545.db2.gz MXLGUPJJMBGGMA-UHFFFAOYSA-N 1 2 335.426 3.823 20 0 EHADLO Fc1ccc2c(c1)C[N@H+](Cc1ccnn1CCc1ccccc1)CC2 ZINC001180296843 1133358549 /nfs/dbraw/zinc/35/85/49/1133358549.db2.gz MXLGUPJJMBGGMA-UHFFFAOYSA-N 1 2 335.426 3.823 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)NCc1ccccn1 ZINC000770001600 1133376611 /nfs/dbraw/zinc/37/66/11/1133376611.db2.gz OAXRAIGGXGSKAH-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1)NCc1ccccn1 ZINC000770001600 1133376615 /nfs/dbraw/zinc/37/66/15/1133376615.db2.gz OAXRAIGGXGSKAH-SFHVURJKSA-N 1 2 343.858 3.578 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc3[nH+]ccn32)C2CC2)o1 ZINC000770399822 1133423191 /nfs/dbraw/zinc/42/31/91/1133423191.db2.gz CGRUUMXMFMNJIG-CJNGLKHVSA-N 1 2 335.407 3.856 20 0 EHADLO O=C(Nc1nc2c(s1)CCCCCC2)c1cccc2[nH+]ccn21 ZINC000770413987 1133424731 /nfs/dbraw/zinc/42/47/31/1133424731.db2.gz ZSQXSSZBEBXTPD-UHFFFAOYSA-N 1 2 326.425 3.702 20 0 EHADLO O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc2[nH+]ccn21 ZINC000770433529 1133429471 /nfs/dbraw/zinc/42/94/71/1133429471.db2.gz TWJMOEKMXOQRAJ-UHFFFAOYSA-N 1 2 325.343 3.515 20 0 EHADLO CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C12CCCCC2 ZINC000770433633 1133429664 /nfs/dbraw/zinc/42/96/64/1133429664.db2.gz VGKUPQQZVHHZIY-SJORKVTESA-N 1 2 341.455 3.534 20 0 EHADLO Cc1ccc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(F)c1 ZINC001181102691 1133451960 /nfs/dbraw/zinc/45/19/60/1133451960.db2.gz RKAXDFFCOFCMOL-GASCZTMLSA-N 1 2 336.451 3.964 20 0 EHADLO Cc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(F)c1 ZINC001181102691 1133451962 /nfs/dbraw/zinc/45/19/62/1133451962.db2.gz RKAXDFFCOFCMOL-GASCZTMLSA-N 1 2 336.451 3.964 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647162 1133459498 /nfs/dbraw/zinc/45/94/98/1133459498.db2.gz WRWTZUSKDFISGV-QWRGUYRKSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1)c1cccs1 ZINC000770647162 1133459501 /nfs/dbraw/zinc/45/95/01/1133459501.db2.gz WRWTZUSKDFISGV-QWRGUYRKSA-N 1 2 328.890 3.946 20 0 EHADLO CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000770655923 1133460408 /nfs/dbraw/zinc/46/04/08/1133460408.db2.gz IEXHTTJFFVXGRO-UHFFFAOYSA-N 1 2 343.814 3.529 20 0 EHADLO O=C(COc1cccc2ccccc21)OCc1cccc2[nH+]ccn21 ZINC000770923405 1133484423 /nfs/dbraw/zinc/48/44/23/1133484423.db2.gz YWKCKDWNFJWNSE-UHFFFAOYSA-N 1 2 332.359 3.610 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc2ccc(Cl)cc2n1 ZINC000770924544 1133484648 /nfs/dbraw/zinc/48/46/48/1133484648.db2.gz GWVFLNLOQXKRHL-UHFFFAOYSA-N 1 2 337.766 3.893 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cccc2[nH+]ccn21 ZINC000770924106 1133484731 /nfs/dbraw/zinc/48/47/31/1133484731.db2.gz BTKLWVHGHYAZKT-UHFFFAOYSA-N 1 2 335.190 3.927 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccnc(Oc2ccccc2)c1 ZINC000770924413 1133484775 /nfs/dbraw/zinc/48/47/75/1133484775.db2.gz FXNUNMLXWMQEJH-UHFFFAOYSA-N 1 2 345.358 3.879 20 0 EHADLO O=C(CCCc1ccc(F)c(F)c1)OCc1cccc2[nH+]ccn21 ZINC000770921879 1133485048 /nfs/dbraw/zinc/48/50/48/1133485048.db2.gz IGFWGMRPWVWGDW-UHFFFAOYSA-N 1 2 330.334 3.679 20 0 EHADLO O=C(CCc1cccc(OC(F)(F)F)c1)Nc1ccn2cc[nH+]c2c1 ZINC001181680375 1133512952 /nfs/dbraw/zinc/51/29/52/1133512952.db2.gz VQYJRFKIVLESDY-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H](CC)CC(C)C ZINC001181817401 1133539803 /nfs/dbraw/zinc/53/98/03/1133539803.db2.gz RGACLFZOKSPOJH-AWEZNQCLSA-N 1 2 344.459 3.849 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)cc1F ZINC000780425959 1133546789 /nfs/dbraw/zinc/54/67/89/1133546789.db2.gz BIRACRQUODEXAV-HXUWFJFHSA-N 1 2 348.462 3.652 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)cc1F ZINC000780425959 1133546793 /nfs/dbraw/zinc/54/67/93/1133546793.db2.gz BIRACRQUODEXAV-HXUWFJFHSA-N 1 2 348.462 3.652 20 0 EHADLO Clc1ccc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000771463752 1133556029 /nfs/dbraw/zinc/55/60/29/1133556029.db2.gz MCZUSNGHJNCODH-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO Clc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000771463752 1133556035 /nfs/dbraw/zinc/55/60/35/1133556035.db2.gz MCZUSNGHJNCODH-UHFFFAOYSA-N 1 2 342.826 3.796 20 0 EHADLO Cc1ccc(C2=CC[N@H+](CN3Cc4ccc(F)cc4C3=O)CC2)cc1 ZINC000771611287 1133576803 /nfs/dbraw/zinc/57/68/03/1133576803.db2.gz SWXDELYJFZNINN-UHFFFAOYSA-N 1 2 336.410 3.837 20 0 EHADLO Cc1ccc(C2=CC[N@@H+](CN3Cc4ccc(F)cc4C3=O)CC2)cc1 ZINC000771611287 1133576808 /nfs/dbraw/zinc/57/68/08/1133576808.db2.gz SWXDELYJFZNINN-UHFFFAOYSA-N 1 2 336.410 3.837 20 0 EHADLO COc1ccc(C2(c3noc([C@H](C)[NH+](C)C)n3)CCCC2)cc1OC ZINC000771606989 1133577106 /nfs/dbraw/zinc/57/71/06/1133577106.db2.gz JZTLHDSAYGMZAT-ZDUSSCGKSA-N 1 2 345.443 3.570 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(O)c2ccccc12 ZINC001182183533 1133584003 /nfs/dbraw/zinc/58/40/03/1133584003.db2.gz KMXROEOHVJDVQR-UHFFFAOYSA-N 1 2 343.386 3.912 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cc(=O)[nH]cc1C)c1ccccc1Cl ZINC001182217836 1133597115 /nfs/dbraw/zinc/59/71/15/1133597115.db2.gz DEGPWQSOZSPJQJ-KRWDZBQOSA-N 1 2 347.846 3.771 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cc(C)oc(=O)c1)c1ccccc1Cl ZINC001182217614 1133597264 /nfs/dbraw/zinc/59/72/64/1133597264.db2.gz BHUIOKACSHTQGM-KRWDZBQOSA-N 1 2 348.830 3.623 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1ncccc1O)c1ccccc1 ZINC001182238102 1133604678 /nfs/dbraw/zinc/60/46/78/1133604678.db2.gz RIDCLTHYYNWGSF-LJQANCHMSA-N 1 2 347.418 3.599 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1ncccc1O)c1ccccc1 ZINC001182238102 1133604682 /nfs/dbraw/zinc/60/46/82/1133604682.db2.gz RIDCLTHYYNWGSF-LJQANCHMSA-N 1 2 347.418 3.599 20 0 EHADLO Cc1ccc(-c2cc(C(=O)OCCn3cc[nH+]c3)c3ccccc3n2)o1 ZINC000771857783 1133608597 /nfs/dbraw/zinc/60/85/97/1133608597.db2.gz CPKZJSCLWFGEAK-UHFFFAOYSA-N 1 2 347.374 3.857 20 0 EHADLO COCCC1(C(=O)Nc2cccc3[nH+]ccn32)CCC(F)(F)CC1 ZINC001182418246 1133657406 /nfs/dbraw/zinc/65/74/06/1133657406.db2.gz DDZHMICHHLBENG-UHFFFAOYSA-N 1 2 337.370 3.505 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(F)CCCC3)n2)C1 ZINC000772351492 1133673666 /nfs/dbraw/zinc/67/36/66/1133673666.db2.gz IZYIOYSVBACDNB-LBPRGKRZSA-N 1 2 325.453 3.596 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(F)CCCC3)n2)C1 ZINC000772351492 1133673670 /nfs/dbraw/zinc/67/36/70/1133673670.db2.gz IZYIOYSVBACDNB-LBPRGKRZSA-N 1 2 325.453 3.596 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(F)(F)F ZINC000772534383 1133695056 /nfs/dbraw/zinc/69/50/56/1133695056.db2.gz YEGSQUBMMLZSQW-AVGNSLFASA-N 1 2 348.413 3.574 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C(F)(F)F ZINC000772534385 1133695093 /nfs/dbraw/zinc/69/50/93/1133695093.db2.gz YEGSQUBMMLZSQW-XQQFMLRXSA-N 1 2 348.413 3.574 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)ccc1OCC(F)(F)F ZINC001182534610 1133698059 /nfs/dbraw/zinc/69/80/59/1133698059.db2.gz XIVHBSMMFJFOBN-OAHLLOKOSA-N 1 2 347.352 3.768 20 0 EHADLO Fc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1OCC(F)(F)F ZINC001182534610 1133698061 /nfs/dbraw/zinc/69/80/61/1133698061.db2.gz XIVHBSMMFJFOBN-OAHLLOKOSA-N 1 2 347.352 3.768 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1cc3ccc(C)cc3[nH]1)CC2 ZINC001182544219 1133699749 /nfs/dbraw/zinc/69/97/49/1133699749.db2.gz PWTUGQDQUVDLBG-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc3ccc(C)cc3[nH]1)CC2 ZINC001182544219 1133699754 /nfs/dbraw/zinc/69/97/54/1133699754.db2.gz PWTUGQDQUVDLBG-UHFFFAOYSA-N 1 2 334.419 3.821 20 0 EHADLO CC[C@H](C)C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC001182575085 1133702086 /nfs/dbraw/zinc/70/20/86/1133702086.db2.gz WNUISGLOKOWDHA-IOWLUPKSSA-N 1 2 325.399 3.778 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780427672 1133706483 /nfs/dbraw/zinc/70/64/83/1133706483.db2.gz OBQBSQMIKIZRIE-FOIQADDNSA-N 1 2 340.492 3.815 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780427672 1133706484 /nfs/dbraw/zinc/70/64/84/1133706484.db2.gz OBQBSQMIKIZRIE-FOIQADDNSA-N 1 2 340.492 3.815 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)cc1O)C1CCC(F)(F)CC1 ZINC001182615664 1133711980 /nfs/dbraw/zinc/71/19/80/1133711980.db2.gz GMEGRUMTFBEOHH-VIFPVBQESA-N 1 2 349.219 3.853 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@H+](CCC(F)(F)F)CC2CC2)C(=O)O1 ZINC000785505562 1133714888 /nfs/dbraw/zinc/71/48/88/1133714888.db2.gz GAPYQMRIRNKSSB-ZDUSSCGKSA-N 1 2 336.398 3.865 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@@H+](CCC(F)(F)F)CC2CC2)C(=O)O1 ZINC000785505562 1133714891 /nfs/dbraw/zinc/71/48/91/1133714891.db2.gz GAPYQMRIRNKSSB-ZDUSSCGKSA-N 1 2 336.398 3.865 20 0 EHADLO COc1ccc([C@H](C(=O)NCc2c[nH+]cn2C2CCC2)C(C)C)cc1 ZINC001182993343 1133755174 /nfs/dbraw/zinc/75/51/74/1133755174.db2.gz AHQHQVIWOJYHAF-LJQANCHMSA-N 1 2 341.455 3.673 20 0 EHADLO Cc1cc2c(o1)c(C(=O)OCc1c[nH+]cn1C)ccc2Br ZINC000785883941 1133762578 /nfs/dbraw/zinc/76/25/78/1133762578.db2.gz BJOFRGPYBRDBIW-UHFFFAOYSA-N 1 2 349.184 3.594 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccc2nsnc21 ZINC001183349313 1133797248 /nfs/dbraw/zinc/79/72/48/1133797248.db2.gz HJEIWIGDVWMPET-UHFFFAOYSA-N 1 2 335.392 3.642 20 0 EHADLO Oc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1F ZINC001183346207 1133797700 /nfs/dbraw/zinc/79/77/00/1133797700.db2.gz VBMBYKAHNBNTBY-HNNXBMFYSA-N 1 2 346.377 3.596 20 0 EHADLO Oc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1F ZINC001183346207 1133797705 /nfs/dbraw/zinc/79/77/05/1133797705.db2.gz VBMBYKAHNBNTBY-HNNXBMFYSA-N 1 2 346.377 3.596 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183749591 1133853592 /nfs/dbraw/zinc/85/35/92/1133853592.db2.gz BTQJNVJGVUEAMK-GOSISDBHSA-N 1 2 331.419 3.756 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183749591 1133853601 /nfs/dbraw/zinc/85/36/01/1133853601.db2.gz BTQJNVJGVUEAMK-GOSISDBHSA-N 1 2 331.419 3.756 20 0 EHADLO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756540 1133855361 /nfs/dbraw/zinc/85/53/61/1133855361.db2.gz IZOOEFDGABJMKK-PMACEKPBSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756540 1133855365 /nfs/dbraw/zinc/85/53/65/1133855365.db2.gz IZOOEFDGABJMKK-PMACEKPBSA-N 1 2 337.467 3.560 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC001184106329 1133893290 /nfs/dbraw/zinc/89/32/90/1133893290.db2.gz NJPNWZCJNIQBCE-UHFFFAOYSA-N 1 2 331.847 3.828 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC001184106329 1133893298 /nfs/dbraw/zinc/89/32/98/1133893298.db2.gz NJPNWZCJNIQBCE-UHFFFAOYSA-N 1 2 331.847 3.828 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCC(C)(C)Oc1ccccc1 ZINC001184276205 1133921437 /nfs/dbraw/zinc/92/14/37/1133921437.db2.gz FDPPGBHYGZUKGG-UHFFFAOYSA-N 1 2 339.439 3.952 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000787246727 1133978291 /nfs/dbraw/zinc/97/82/91/1133978291.db2.gz SOMSCJQEKOMVPX-UHFFFAOYSA-N 1 2 344.768 3.787 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184965515 1134008056 /nfs/dbraw/zinc/00/80/56/1134008056.db2.gz WSFMIOVEFSDQHI-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cn1)[NH2+][C@H](C)CCCC(C)C ZINC001170073911 1134010669 /nfs/dbraw/zinc/01/06/69/1134010669.db2.gz PQGQJTQPBOAXSO-CJNGLKHVSA-N 1 2 326.868 3.624 20 0 EHADLO COc1ccc(OCCCNc2nc(C)[nH+]c3c2CCCC3)cc1 ZINC001184998930 1134017988 /nfs/dbraw/zinc/01/79/88/1134017988.db2.gz IVGMURXEQCKRBG-UHFFFAOYSA-N 1 2 327.428 3.553 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001185157599 1134048583 /nfs/dbraw/zinc/04/85/83/1134048583.db2.gz KYCHVOVMZIBABQ-CYBMUJFWSA-N 1 2 342.443 3.603 20 0 EHADLO CCCSCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243003 1134098991 /nfs/dbraw/zinc/09/89/91/1134098991.db2.gz KTWZYKJQJSVKQY-AWEZNQCLSA-N 1 2 335.517 3.574 20 0 EHADLO CCCSCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243003 1134098998 /nfs/dbraw/zinc/09/89/98/1134098998.db2.gz KTWZYKJQJSVKQY-AWEZNQCLSA-N 1 2 335.517 3.574 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2sccc2c(O)c1 ZINC000788285730 1134108585 /nfs/dbraw/zinc/10/85/85/1134108585.db2.gz ABGSQZALNNJDFQ-UHFFFAOYSA-N 1 2 349.415 3.723 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1SC(C)(C)C ZINC000788507053 1134134530 /nfs/dbraw/zinc/13/45/30/1134134530.db2.gz NMRNHLURTZTGHH-ZDUSSCGKSA-N 1 2 330.501 3.966 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c(OC)c1 ZINC000788545755 1134140859 /nfs/dbraw/zinc/14/08/59/1134140859.db2.gz IXFWBEONRVZPSM-AWEZNQCLSA-N 1 2 348.830 3.538 20 0 EHADLO CN(CCO)c1ccc([NH2+]CCCc2c(F)cccc2Cl)cc1 ZINC000774934834 1134140951 /nfs/dbraw/zinc/14/09/51/1134140951.db2.gz UDCKHLBAHVRTKM-UHFFFAOYSA-N 1 2 336.838 3.952 20 0 EHADLO Cc1nc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(Br)c(C)[nH+]1 ZINC001185857241 1134144429 /nfs/dbraw/zinc/14/44/29/1134144429.db2.gz KTIIWOCUSTURML-IJEWVQPXSA-N 1 2 344.256 3.996 20 0 EHADLO O=C(c1cc(Cl)cs1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788840465 1134180308 /nfs/dbraw/zinc/18/03/08/1134180308.db2.gz GQJBHDSDABCSCT-UHFFFAOYSA-N 1 2 349.887 3.954 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000789367361 1134263685 /nfs/dbraw/zinc/26/36/85/1134263685.db2.gz XNQMFZYKHOGRPP-CQSZACIVSA-N 1 2 343.427 3.948 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000789367361 1134263688 /nfs/dbraw/zinc/26/36/88/1134263688.db2.gz XNQMFZYKHOGRPP-CQSZACIVSA-N 1 2 343.427 3.948 20 0 EHADLO C[C@H]1C(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)[C@H]1c1ccccc1 ZINC000789526319 1134290589 /nfs/dbraw/zinc/29/05/89/1134290589.db2.gz BYHUTMYQJXFWEM-CZUORRHYSA-N 1 2 340.389 3.828 20 0 EHADLO C[C@]1(CCNc2[nH+]cnc3c2cnn3-c2ccccc2F)CC1(F)F ZINC001187073776 1134292562 /nfs/dbraw/zinc/29/25/62/1134292562.db2.gz QTDRGYICMQAODC-INIZCTEOSA-N 1 2 347.344 3.802 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000775101663 1134308705 /nfs/dbraw/zinc/30/87/05/1134308705.db2.gz KDGJJZNGTLWBLM-CYBMUJFWSA-N 1 2 327.428 3.997 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000789789047 1134334271 /nfs/dbraw/zinc/33/42/71/1134334271.db2.gz SDNYQCFZKQPOJQ-AWEZNQCLSA-N 1 2 340.345 3.632 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)Nc1cccc(Br)c1 ZINC001187440222 1134335035 /nfs/dbraw/zinc/33/50/35/1134335035.db2.gz PODJVERSZAVPMO-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1cccc(Br)c1 ZINC001187486020 1134342011 /nfs/dbraw/zinc/34/20/11/1134342011.db2.gz SNKOEZBMVBTYRW-UHFFFAOYSA-N 1 2 349.232 3.692 20 0 EHADLO Cc1ncc(/C=C/C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)s1 ZINC001273544897 1134362602 /nfs/dbraw/zinc/36/26/02/1134362602.db2.gz ZYSYQZLSEVAUSN-FNORWQNLSA-N 1 2 338.436 3.718 20 0 EHADLO CC(C)c1[nH]cc(CNc2ncnc3ccc(Br)cc32)[nH+]1 ZINC001187724332 1134375554 /nfs/dbraw/zinc/37/55/54/1134375554.db2.gz HPQBAUFTRSNTCC-UHFFFAOYSA-N 1 2 346.232 3.851 20 0 EHADLO CC(C)c1[nH]c(CNc2ncnc3ccc(Br)cc32)c[nH+]1 ZINC001187724332 1134375560 /nfs/dbraw/zinc/37/55/60/1134375560.db2.gz HPQBAUFTRSNTCC-UHFFFAOYSA-N 1 2 346.232 3.851 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000790505229 1134428598 /nfs/dbraw/zinc/42/85/98/1134428598.db2.gz WMTFDJBDDQIFHV-OHQAAIJDSA-N 1 2 332.488 3.916 20 0 EHADLO CN(C)c1[nH+]cc(CSc2nnc3ccccn32)c2ccccc21 ZINC001188260464 1134448284 /nfs/dbraw/zinc/44/82/84/1134448284.db2.gz NNGMACLYLSWRKI-UHFFFAOYSA-N 1 2 335.436 3.636 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000790888747 1134475915 /nfs/dbraw/zinc/47/59/15/1134475915.db2.gz JLQOXPUHEVEIEA-UHFFFAOYSA-N 1 2 341.436 3.983 20 0 EHADLO Cc1cccn2c(CNc3cccc(Oc4cnccn4)c3)c[nH+]c12 ZINC000156421152 1134511441 /nfs/dbraw/zinc/51/14/41/1134511441.db2.gz CVLIRDBAXXNTMX-UHFFFAOYSA-N 1 2 331.379 3.837 20 0 EHADLO Cc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc(Cl)n1 ZINC000791453457 1134554111 /nfs/dbraw/zinc/55/41/11/1134554111.db2.gz UCIPZZZRPCQWQE-UHFFFAOYSA-N 1 2 341.798 3.895 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584119 1134571207 /nfs/dbraw/zinc/57/12/07/1134571207.db2.gz NMUPLFXNVSCWQX-SKDRFNHKSA-N 1 2 329.297 3.648 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000791584119 1134571211 /nfs/dbraw/zinc/57/12/11/1134571211.db2.gz NMUPLFXNVSCWQX-SKDRFNHKSA-N 1 2 329.297 3.648 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000791643388 1134583739 /nfs/dbraw/zinc/58/37/39/1134583739.db2.gz SPBHGYQJQYLVHO-HUUCEWRRSA-N 1 2 342.266 3.778 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000791643388 1134583741 /nfs/dbraw/zinc/58/37/41/1134583741.db2.gz SPBHGYQJQYLVHO-HUUCEWRRSA-N 1 2 342.266 3.778 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)OCc3cc[nH+]c(N)c3)ccc2c1 ZINC000791627805 1134586692 /nfs/dbraw/zinc/58/66/92/1134586692.db2.gz SCJMXWPGPBYKGA-XVNBXDOJSA-N 1 2 334.375 3.582 20 0 EHADLO Cc1ccc(C)c(OCCCCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791779752 1134600880 /nfs/dbraw/zinc/60/08/80/1134600880.db2.gz QXLSNXRCSOXIEK-UHFFFAOYSA-N 1 2 328.412 3.573 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)NC1c2ccccc2-c2ccccc21 ZINC001190017499 1134645260 /nfs/dbraw/zinc/64/52/60/1134645260.db2.gz RFYZHJDCSRIHBJ-UHFFFAOYSA-N 1 2 341.414 3.884 20 0 EHADLO C[C@H]1CCC[C@@H](OCCCCCC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792084499 1134652447 /nfs/dbraw/zinc/65/24/47/1134652447.db2.gz JADKHHOIWPDDDD-DOTOQJQBSA-N 1 2 334.460 3.863 20 0 EHADLO CCc1cn(Cc2cc(Br)ccc2OC(F)F)c[nH+]1 ZINC001190103393 1134655912 /nfs/dbraw/zinc/65/59/12/1134655912.db2.gz KCTRULJFJAKBOZ-UHFFFAOYSA-N 1 2 331.160 3.858 20 0 EHADLO CC(C)c1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001190262848 1134674120 /nfs/dbraw/zinc/67/41/20/1134674120.db2.gz CWOFLCHRNQDXIY-QGZVFWFLSA-N 1 2 336.426 3.756 20 0 EHADLO COc1ccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(C)c1C ZINC001203718120 1134675339 /nfs/dbraw/zinc/67/53/39/1134675339.db2.gz ZLVRHDLQNDCUTN-UHFFFAOYSA-N 1 2 346.471 3.507 20 0 EHADLO COc1ccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(C)c1C ZINC001203718120 1134675343 /nfs/dbraw/zinc/67/53/43/1134675343.db2.gz ZLVRHDLQNDCUTN-UHFFFAOYSA-N 1 2 346.471 3.507 20 0 EHADLO O[C@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)cc1F ZINC000792322826 1134679699 /nfs/dbraw/zinc/67/96/99/1134679699.db2.gz LVVAUBIXKAQYCS-GOSISDBHSA-N 1 2 339.332 3.941 20 0 EHADLO O[C@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)c1ccc(F)cc1F ZINC000792322826 1134679701 /nfs/dbraw/zinc/67/97/01/1134679701.db2.gz LVVAUBIXKAQYCS-GOSISDBHSA-N 1 2 339.332 3.941 20 0 EHADLO COC(=O)Cc1ccccc1C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000792322718 1134679851 /nfs/dbraw/zinc/67/98/51/1134679851.db2.gz IYKYYCRPXKAXPV-UHFFFAOYSA-N 1 2 345.389 3.845 20 0 EHADLO COC(=O)Cc1ccccc1C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000792322718 1134679853 /nfs/dbraw/zinc/67/98/53/1134679853.db2.gz IYKYYCRPXKAXPV-UHFFFAOYSA-N 1 2 345.389 3.845 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)C[C@H](C)[S@@]1=O ZINC000792389602 1134683776 /nfs/dbraw/zinc/68/37/76/1134683776.db2.gz USVRYQMLUQXONZ-CGWBUNPUSA-N 1 2 327.449 3.927 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)C[C@H](C)[S@@]1=O ZINC000792389602 1134683780 /nfs/dbraw/zinc/68/37/80/1134683780.db2.gz USVRYQMLUQXONZ-CGWBUNPUSA-N 1 2 327.449 3.927 20 0 EHADLO O=C1c2ccccc2N(C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1=O ZINC000747077255 1134695633 /nfs/dbraw/zinc/69/56/33/1134695633.db2.gz UCLVZEBLPJCSBX-INIZCTEOSA-N 1 2 326.440 3.608 20 0 EHADLO O=C1c2ccccc2N(C[N@H+]2CCC[C@H]2CC2CCCCC2)C1=O ZINC000747077255 1134695636 /nfs/dbraw/zinc/69/56/36/1134695636.db2.gz UCLVZEBLPJCSBX-INIZCTEOSA-N 1 2 326.440 3.608 20 0 EHADLO CN(c1nc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cs1)C1CC1 ZINC000792899789 1134816859 /nfs/dbraw/zinc/81/68/59/1134816859.db2.gz DXRMGYDSFHLVEM-OCCSQVGLSA-N 1 2 346.327 3.757 20 0 EHADLO CN(c1nc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cs1)C1CC1 ZINC000792899789 1134816864 /nfs/dbraw/zinc/81/68/64/1134816864.db2.gz DXRMGYDSFHLVEM-OCCSQVGLSA-N 1 2 346.327 3.757 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1 ZINC000792905125 1134819139 /nfs/dbraw/zinc/81/91/39/1134819139.db2.gz HTMIMIFRMVIXFP-COPLHBTASA-N 1 2 332.275 3.989 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1 ZINC000792905125 1134819148 /nfs/dbraw/zinc/81/91/48/1134819148.db2.gz HTMIMIFRMVIXFP-COPLHBTASA-N 1 2 332.275 3.989 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(F)c1)NC1CCCCCC1 ZINC001191285724 1134842022 /nfs/dbraw/zinc/84/20/22/1134842022.db2.gz TXLMHSZLRCVOQW-UHFFFAOYSA-N 1 2 344.434 3.593 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000793251052 1134889570 /nfs/dbraw/zinc/88/95/70/1134889570.db2.gz NAJYYDYFTSLQOQ-UHFFFAOYSA-N 1 2 340.345 3.548 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCCc3c[nH+]cn3C)c2c1 ZINC000793249400 1134889588 /nfs/dbraw/zinc/88/95/88/1134889588.db2.gz FWTRSILVWMFJQR-UHFFFAOYSA-N 1 2 349.434 3.862 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)c(Cl)cc2C)c1C ZINC000793299626 1134898041 /nfs/dbraw/zinc/89/80/41/1134898041.db2.gz PAJJUYWEKTUFLG-UHFFFAOYSA-N 1 2 332.831 3.907 20 0 EHADLO CC(C)Cc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793363926 1134910259 /nfs/dbraw/zinc/91/02/59/1134910259.db2.gz JCZKHWGQSHUKFV-UHFFFAOYSA-N 1 2 332.875 3.928 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793363926 1134910267 /nfs/dbraw/zinc/91/02/67/1134910267.db2.gz JCZKHWGQSHUKFV-UHFFFAOYSA-N 1 2 332.875 3.928 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@H]2CCC[C@H](C)C2)Cc2ccccc2C1 ZINC001191764066 1134911072 /nfs/dbraw/zinc/91/10/72/1134911072.db2.gz OGBSUEKCRSZIHM-DLBZAZTESA-N 1 2 329.484 3.893 20 0 EHADLO O=C(/C=C\c1cccnc1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390654 1134921724 /nfs/dbraw/zinc/92/17/24/1134921724.db2.gz ITJPBILXOLIOOJ-WDZFZDKYSA-N 1 2 345.402 3.900 20 0 EHADLO Cc1cc(NC(=O)NCc2c[nH+]c3ccc(F)cn23)ccc1Cl ZINC001191787138 1134922575 /nfs/dbraw/zinc/92/25/75/1134922575.db2.gz VIRXZSDCRFHTNT-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000775494705 1134948839 /nfs/dbraw/zinc/94/88/39/1134948839.db2.gz JRHVIHNRUBGRNP-OALUTQOASA-N 1 2 325.408 3.746 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000775494705 1134948845 /nfs/dbraw/zinc/94/88/45/1134948845.db2.gz JRHVIHNRUBGRNP-OALUTQOASA-N 1 2 325.408 3.746 20 0 EHADLO C[C@@H]1COCC[N@@H+]1CCN(Cc1ccccc1F)c1ccccc1F ZINC001192007292 1134954992 /nfs/dbraw/zinc/95/49/92/1134954992.db2.gz WBOIIFMDMZAKBI-MRXNPFEDSA-N 1 2 346.421 3.692 20 0 EHADLO C[C@@H]1COCC[N@H+]1CCN(Cc1ccccc1F)c1ccccc1F ZINC001192007292 1134955000 /nfs/dbraw/zinc/95/50/00/1134955000.db2.gz WBOIIFMDMZAKBI-MRXNPFEDSA-N 1 2 346.421 3.692 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)nc1 ZINC000793565786 1134958727 /nfs/dbraw/zinc/95/87/27/1134958727.db2.gz IKXCQMXNTOWQEC-AWEZNQCLSA-N 1 2 326.831 3.831 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC001192058465 1134962967 /nfs/dbraw/zinc/96/29/67/1134962967.db2.gz MPCAVEPOQJQASF-KRWDZBQOSA-N 1 2 346.434 3.800 20 0 EHADLO CC/C=C/CC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291211 1134994875 /nfs/dbraw/zinc/99/48/75/1134994875.db2.gz BRWWNGLAQNDGRQ-NFAHFFEMSA-N 1 2 340.261 3.951 20 0 EHADLO CC/C=C/CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291211 1134994880 /nfs/dbraw/zinc/99/48/80/1134994880.db2.gz BRWWNGLAQNDGRQ-NFAHFFEMSA-N 1 2 340.261 3.951 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3ccc(F)cc3)no2)cc1 ZINC001192731007 1135048303 /nfs/dbraw/zinc/04/83/03/1135048303.db2.gz SAYIIJRUXCPTSW-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000775563073 1135097849 /nfs/dbraw/zinc/09/78/49/1135097849.db2.gz UOMJQACUMYPRRE-UHFFFAOYSA-N 1 2 348.425 3.755 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000775563073 1135097852 /nfs/dbraw/zinc/09/78/52/1135097852.db2.gz UOMJQACUMYPRRE-UHFFFAOYSA-N 1 2 348.425 3.755 20 0 EHADLO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1noc(Cc2ccccc2)n1 ZINC001193155585 1135110208 /nfs/dbraw/zinc/11/02/08/1135110208.db2.gz XWQYOAGEFBIASL-HOCLYGCPSA-N 1 2 329.444 3.659 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2sc3ncccc3c2Cl)c[nH+]1 ZINC001129714093 1135142744 /nfs/dbraw/zinc/14/27/44/1135142744.db2.gz ACIKTZMERJCDNJ-UHFFFAOYSA-N 1 2 331.828 3.892 20 0 EHADLO CC(C)COC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001193863431 1135197885 /nfs/dbraw/zinc/19/78/85/1135197885.db2.gz HCTALIOHAQCLCA-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO Cc1cc(N2CCC([C@@H](O)c3ccccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000804812414 1135202502 /nfs/dbraw/zinc/20/25/02/1135202502.db2.gz HLIUXTHHUKESFE-HXUWFJFHSA-N 1 2 337.467 3.921 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001193978061 1135209508 /nfs/dbraw/zinc/20/95/08/1135209508.db2.gz YFJQDVCWKNQGGV-CYBMUJFWSA-N 1 2 328.859 3.583 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001193978061 1135209510 /nfs/dbraw/zinc/20/95/10/1135209510.db2.gz YFJQDVCWKNQGGV-CYBMUJFWSA-N 1 2 328.859 3.583 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001194205319 1135243229 /nfs/dbraw/zinc/24/32/29/1135243229.db2.gz MKFPFUQQSZPUKM-UHFFFAOYSA-N 1 2 333.407 3.877 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607502 1135313456 /nfs/dbraw/zinc/31/34/56/1135313456.db2.gz JJTWEPXEPCHFOO-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607502 1135313461 /nfs/dbraw/zinc/31/34/61/1135313461.db2.gz JJTWEPXEPCHFOO-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC001194927588 1135341598 /nfs/dbraw/zinc/34/15/98/1135341598.db2.gz SBPTZLWCAYJJEC-SFHVURJKSA-N 1 2 331.419 3.547 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC001194927587 1135341734 /nfs/dbraw/zinc/34/17/34/1135341734.db2.gz SBPTZLWCAYJJEC-GOSISDBHSA-N 1 2 331.419 3.547 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC001194927291 1135341993 /nfs/dbraw/zinc/34/19/93/1135341993.db2.gz LOAIAOIYQGKRBL-CYBMUJFWSA-N 1 2 333.382 3.642 20 0 EHADLO Cc1cccc(C2(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)CC2)c1 ZINC001194927146 1135342365 /nfs/dbraw/zinc/34/23/65/1135342365.db2.gz IQJFHTANBPSODZ-UHFFFAOYSA-N 1 2 331.419 3.815 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccccc3C)CC2)cs1 ZINC000805914394 1135348682 /nfs/dbraw/zinc/34/86/82/1135348682.db2.gz IYABUIAZUHZSNV-UHFFFAOYSA-N 1 2 344.480 3.715 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)OCCC(F)(F)F)CC1 ZINC000867113521 1135394929 /nfs/dbraw/zinc/39/49/29/1135394929.db2.gz RAAAURRRUMHFKZ-NSHDSACASA-N 1 2 336.379 3.516 20 0 EHADLO Cc1ccc2c(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC000101811469 1135399467 /nfs/dbraw/zinc/39/94/67/1135399467.db2.gz RTDDQGFVGFDMDP-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO CCCc1noc([C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)n1 ZINC001137932110 1135406407 /nfs/dbraw/zinc/40/64/07/1135406407.db2.gz IWFSCTGWPJQXQR-NSHDSACASA-N 1 2 339.361 3.819 20 0 EHADLO CCCc1noc([C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)n1 ZINC001137932110 1135406412 /nfs/dbraw/zinc/40/64/12/1135406412.db2.gz IWFSCTGWPJQXQR-NSHDSACASA-N 1 2 339.361 3.819 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001195457077 1135426429 /nfs/dbraw/zinc/42/64/29/1135426429.db2.gz HCRSAYBLJWDXDP-UHFFFAOYSA-N 1 2 341.455 3.736 20 0 EHADLO COc1ccc(C(C)(C)C)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001195457077 1135426431 /nfs/dbraw/zinc/42/64/31/1135426431.db2.gz HCRSAYBLJWDXDP-UHFFFAOYSA-N 1 2 341.455 3.736 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C1CCCCCC1 ZINC001195612304 1135448219 /nfs/dbraw/zinc/44/82/19/1135448219.db2.gz CZUNRXACDMGNEV-MSOLQXFVSA-N 1 2 337.504 3.970 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001195703760 1135457665 /nfs/dbraw/zinc/45/76/65/1135457665.db2.gz CINNCUDEVCUDCJ-HUUCEWRRSA-N 1 2 345.842 3.565 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001195703760 1135457667 /nfs/dbraw/zinc/45/76/67/1135457667.db2.gz CINNCUDEVCUDCJ-HUUCEWRRSA-N 1 2 345.842 3.565 20 0 EHADLO C[C@@H](CCc1ccccc1)C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775672303 1135469706 /nfs/dbraw/zinc/46/97/06/1135469706.db2.gz KAJDKKHBCMZWIS-YJBOKZPZSA-N 1 2 341.455 3.589 20 0 EHADLO C[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775672303 1135469710 /nfs/dbraw/zinc/46/97/10/1135469710.db2.gz KAJDKKHBCMZWIS-YJBOKZPZSA-N 1 2 341.455 3.589 20 0 EHADLO CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775681654 1135505357 /nfs/dbraw/zinc/50/53/57/1135505357.db2.gz FCYIFCRKCMXIEO-SFHVURJKSA-N 1 2 338.455 3.997 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001196441171 1135558046 /nfs/dbraw/zinc/55/80/46/1135558046.db2.gz JXJLXIXLLUWCLF-ZDUSSCGKSA-N 1 2 348.874 3.558 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001196441171 1135558051 /nfs/dbraw/zinc/55/80/51/1135558051.db2.gz JXJLXIXLLUWCLF-ZDUSSCGKSA-N 1 2 348.874 3.558 20 0 EHADLO CC/C(C)=C\c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181681 1135578648 /nfs/dbraw/zinc/57/86/48/1135578648.db2.gz NGYPSLFFROTQRY-VWILAXROSA-N 1 2 327.428 3.765 20 0 EHADLO CC/C(C)=C\c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181681 1135578649 /nfs/dbraw/zinc/57/86/49/1135578649.db2.gz NGYPSLFFROTQRY-VWILAXROSA-N 1 2 327.428 3.765 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182635 1135579109 /nfs/dbraw/zinc/57/91/09/1135579109.db2.gz YOKZFKFNJUQNDE-HOTGVXAUSA-N 1 2 347.484 3.766 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182635 1135579118 /nfs/dbraw/zinc/57/91/18/1135579118.db2.gz YOKZFKFNJUQNDE-HOTGVXAUSA-N 1 2 347.484 3.766 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)o1 ZINC000775742740 1135612667 /nfs/dbraw/zinc/61/26/67/1135612667.db2.gz ZSEJPDGTWHUGKD-UHFFFAOYSA-N 1 2 332.419 3.507 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)Nc1ccc(Cl)cc1 ZINC001197355970 1135677893 /nfs/dbraw/zinc/67/78/93/1135677893.db2.gz ABDZZZWCPAISAZ-UHFFFAOYSA-N 1 2 334.876 3.823 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cccc(C(F)F)c2)CC1 ZINC001197802395 1135739261 /nfs/dbraw/zinc/73/92/61/1135739261.db2.gz JCYJLBZCXLDKIX-UHFFFAOYSA-N 1 2 345.393 3.707 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1c(F)cccc1F ZINC001197979294 1135762940 /nfs/dbraw/zinc/76/29/40/1135762940.db2.gz WXHRYSAXRQKEEN-BDJLRTHQSA-N 1 2 334.341 3.560 20 0 EHADLO COCc1ccc([C@H]2COCC[N@@H+]2CCCCc2ccccc2)o1 ZINC001197991605 1135764455 /nfs/dbraw/zinc/76/44/55/1135764455.db2.gz SRMQBTZMOUXMOO-LJQANCHMSA-N 1 2 329.440 3.822 20 0 EHADLO COCc1ccc([C@H]2COCC[N@H+]2CCCCc2ccccc2)o1 ZINC001197991605 1135764457 /nfs/dbraw/zinc/76/44/57/1135764457.db2.gz SRMQBTZMOUXMOO-LJQANCHMSA-N 1 2 329.440 3.822 20 0 EHADLO COc1c(C)ccc(F)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001198252587 1135792842 /nfs/dbraw/zinc/79/28/42/1135792842.db2.gz OZMYIWTVRSHPFB-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO Clc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cn1 ZINC000809303419 1135818023 /nfs/dbraw/zinc/81/80/23/1135818023.db2.gz WXPDZQDTMBFFGA-UHFFFAOYSA-N 1 2 337.770 3.697 20 0 EHADLO c1nc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)sc1C1OCCO1 ZINC000809550845 1135855366 /nfs/dbraw/zinc/85/53/66/1135855366.db2.gz NOIILDOAQGFXLT-MRXNPFEDSA-N 1 2 342.464 3.840 20 0 EHADLO c1nc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)sc1C1OCCO1 ZINC000809550845 1135855370 /nfs/dbraw/zinc/85/53/70/1135855370.db2.gz NOIILDOAQGFXLT-MRXNPFEDSA-N 1 2 342.464 3.840 20 0 EHADLO Nc1[nH+]cccc1CNC(=O)Nc1cccc(COc2ccccc2)c1 ZINC001198773832 1135856205 /nfs/dbraw/zinc/85/62/05/1135856205.db2.gz LKAWFDBNBKJPKK-UHFFFAOYSA-N 1 2 348.406 3.565 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1nnc(-c3ccccc3O)o1)C2 ZINC001198853074 1135860525 /nfs/dbraw/zinc/86/05/25/1135860525.db2.gz UMANZOYLOZPXLU-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO Cc1cc(C)c2c(c1)CC[N@H+](Cc1nnc(-c3ccccc3O)o1)C2 ZINC001198853074 1135860529 /nfs/dbraw/zinc/86/05/29/1135860529.db2.gz UMANZOYLOZPXLU-UHFFFAOYSA-N 1 2 335.407 3.617 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1F ZINC001137957429 1135865814 /nfs/dbraw/zinc/86/58/14/1135865814.db2.gz BOWHEUMNLPLNPC-AAEUAGOBSA-N 1 2 343.723 3.706 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1F ZINC001137957429 1135865818 /nfs/dbraw/zinc/86/58/18/1135865818.db2.gz BOWHEUMNLPLNPC-AAEUAGOBSA-N 1 2 343.723 3.706 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cnc1Cl ZINC000809772215 1135881015 /nfs/dbraw/zinc/88/10/15/1135881015.db2.gz ROZCWROLSDRMOP-JSGCOSHPSA-N 1 2 339.867 3.531 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cnc1Cl ZINC000809772215 1135881017 /nfs/dbraw/zinc/88/10/17/1135881017.db2.gz ROZCWROLSDRMOP-JSGCOSHPSA-N 1 2 339.867 3.531 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001199320151 1135897570 /nfs/dbraw/zinc/89/75/70/1135897570.db2.gz JSCGGPMKLSQIEU-ZDUSSCGKSA-N 1 2 331.485 3.740 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)n1 ZINC000810132179 1135925623 /nfs/dbraw/zinc/92/56/23/1135925623.db2.gz JGDMRSITNWCSKE-KBPBESRZSA-N 1 2 342.443 3.561 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810220471 1135939771 /nfs/dbraw/zinc/93/97/71/1135939771.db2.gz YIGKKZRVKMBCMD-LBPRGKRZSA-N 1 2 337.265 3.547 20 0 EHADLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc2ccccc2s1 ZINC000810229195 1135940973 /nfs/dbraw/zinc/94/09/73/1135940973.db2.gz ALXMYWCJLLIAOG-LLVKDONJSA-N 1 2 337.408 3.827 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810228140 1135941237 /nfs/dbraw/zinc/94/12/37/1135941237.db2.gz BXBRYEJWCULCSF-UHFFFAOYSA-N 1 2 330.775 3.583 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000794435439 1135956829 /nfs/dbraw/zinc/95/68/29/1135956829.db2.gz NGKDRTYVYKTERJ-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000794435439 1135956830 /nfs/dbraw/zinc/95/68/30/1135956830.db2.gz NGKDRTYVYKTERJ-CQSZACIVSA-N 1 2 326.831 3.904 20 0 EHADLO CCC(CC)(CNC(=O)C(F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378872 1135960455 /nfs/dbraw/zinc/96/04/55/1135960455.db2.gz JOGRDEQWUZCXSX-OCCSQVGLSA-N 1 2 348.384 3.913 20 0 EHADLO CCC(CC)(CNC(=O)[C@H](F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378872 1135960459 /nfs/dbraw/zinc/96/04/59/1135960459.db2.gz JOGRDEQWUZCXSX-OCCSQVGLSA-N 1 2 348.384 3.913 20 0 EHADLO C[C@@H](Cc1ccccc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810562381 1135972917 /nfs/dbraw/zinc/97/29/17/1135972917.db2.gz YOBUQRICHQDQOE-KRWDZBQOSA-N 1 2 334.419 3.648 20 0 EHADLO C[C@@H]1CC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000810590150 1135979356 /nfs/dbraw/zinc/97/93/56/1135979356.db2.gz FDYYUCLNKACHLT-JTDSTZFVSA-N 1 2 326.440 3.842 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc2c(c1)CCCCC2=O ZINC000810635628 1135987671 /nfs/dbraw/zinc/98/76/71/1135987671.db2.gz YHYDTYQGUADRCT-UHFFFAOYSA-N 1 2 334.375 3.600 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@H]1CCOc2ccccc21 ZINC000810647723 1135989681 /nfs/dbraw/zinc/98/96/81/1135989681.db2.gz NMVOLXUFYTZHMI-FQEVSTJZSA-N 1 2 348.402 3.541 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2ccon2)c1)c1ccccc1Cl ZINC000747622825 1135990135 /nfs/dbraw/zinc/99/01/35/1135990135.db2.gz ZVNGPTJCQQZWJP-UHFFFAOYSA-N 1 2 341.798 3.870 20 0 EHADLO C[C@H](C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1cccc(Cl)c1 ZINC001132404598 1135994333 /nfs/dbraw/zinc/99/43/33/1135994333.db2.gz KCBGHGSQEZECJT-SCLBCKFNSA-N 1 2 328.843 3.746 20 0 EHADLO C[C@H](C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1cccc(Cl)c1 ZINC001132404598 1135994334 /nfs/dbraw/zinc/99/43/34/1135994334.db2.gz KCBGHGSQEZECJT-SCLBCKFNSA-N 1 2 328.843 3.746 20 0 EHADLO COc1cc(-c2ccc(Nc3ccc(N)[nH+]c3)c(OC)c2)ccc1N ZINC001201285181 1136001104 /nfs/dbraw/zinc/00/11/04/1136001104.db2.gz BWDFLXQNWCVJTC-UHFFFAOYSA-N 1 2 336.395 3.674 20 0 EHADLO CCOC(=O)c1c2c(sc1Nc1ccc(N)[nH+]c1)C[C@@H](C)CC2 ZINC001201272428 1136002604 /nfs/dbraw/zinc/00/26/04/1136002604.db2.gz OGDYHMBOCBCJSG-JTQLQIEISA-N 1 2 331.441 3.770 20 0 EHADLO CC(C)CC1(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000810838058 1136012164 /nfs/dbraw/zinc/01/21/64/1136012164.db2.gz RCSYBDGDSHTHSN-UHFFFAOYSA-N 1 2 326.440 3.843 20 0 EHADLO Cc1ccc(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000747657110 1136026549 /nfs/dbraw/zinc/02/65/49/1136026549.db2.gz DVCNKYDPAQNBHS-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO Cc1nc(-c2ccc(NCc3cc(C)[nH+]c4c3CCCC4)cc2)n[nH]1 ZINC001201529396 1136039088 /nfs/dbraw/zinc/03/90/88/1136039088.db2.gz LWISMAPVOMIOGK-UHFFFAOYSA-N 1 2 333.439 3.974 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2csc3ccccc23)c1C ZINC000747671906 1136040429 /nfs/dbraw/zinc/04/04/29/1136040429.db2.gz WCDCCOZTSNQRMM-UHFFFAOYSA-N 1 2 340.448 3.781 20 0 EHADLO CCCCCCN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001201761526 1136060713 /nfs/dbraw/zinc/06/07/13/1136060713.db2.gz IBARRLBQXNGUSA-UHFFFAOYSA-N 1 2 334.479 3.987 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1ccc(Cl)cc1Cl ZINC001202091187 1136093374 /nfs/dbraw/zinc/09/33/74/1136093374.db2.gz RONJTYWBTUDCED-LLVKDONJSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1ccc(Cl)cc1Cl ZINC001202091187 1136093375 /nfs/dbraw/zinc/09/33/75/1136093375.db2.gz RONJTYWBTUDCED-LLVKDONJSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1c(Cl)cccc1Cl ZINC001202112738 1136100672 /nfs/dbraw/zinc/10/06/72/1136100672.db2.gz QHUFQIJXXZMEKY-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1c(Cl)cccc1Cl ZINC001202112738 1136100674 /nfs/dbraw/zinc/10/06/74/1136100674.db2.gz QHUFQIJXXZMEKY-JTQLQIEISA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1c(Cl)cccc1Cl ZINC001202112739 1136100743 /nfs/dbraw/zinc/10/07/43/1136100743.db2.gz QHUFQIJXXZMEKY-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1c(Cl)cccc1Cl ZINC001202112739 1136100746 /nfs/dbraw/zinc/10/07/46/1136100746.db2.gz QHUFQIJXXZMEKY-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001202175750 1136105449 /nfs/dbraw/zinc/10/54/49/1136105449.db2.gz OISISOUQDGNNPN-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001202175750 1136105453 /nfs/dbraw/zinc/10/54/53/1136105453.db2.gz OISISOUQDGNNPN-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO CC(C)Cc1ccc([C@H]([NH2+]Cc2cnn(C)n2)c2cccs2)cc1 ZINC000811727327 1136130958 /nfs/dbraw/zinc/13/09/58/1136130958.db2.gz XQEIDTVMEOGFPM-IBGZPJMESA-N 1 2 340.496 3.954 20 0 EHADLO Fc1ccc2c(c1)onc2C1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000811783115 1136135464 /nfs/dbraw/zinc/13/54/64/1136135464.db2.gz OKJWKAZWKSIGBG-UHFFFAOYSA-N 1 2 334.782 3.654 20 0 EHADLO O=C(Nc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202374871 1136135557 /nfs/dbraw/zinc/13/55/57/1136135557.db2.gz PWZCHZXEDVNWSX-CQSZACIVSA-N 1 2 343.805 3.677 20 0 EHADLO CCOC(=O)N(C)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000811800971 1136138126 /nfs/dbraw/zinc/13/81/26/1136138126.db2.gz CNLJJJUIUAJQIY-UHFFFAOYSA-N 1 2 347.846 3.945 20 0 EHADLO CC(C)c1cn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(=S)n1C ZINC000811791048 1136140800 /nfs/dbraw/zinc/14/08/00/1136140800.db2.gz FLSQECMHWFNRKU-CVEARBPZSA-N 1 2 335.517 3.670 20 0 EHADLO CC(C)c1cn(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(=S)n1C ZINC000811791048 1136140801 /nfs/dbraw/zinc/14/08/01/1136140801.db2.gz FLSQECMHWFNRKU-CVEARBPZSA-N 1 2 335.517 3.670 20 0 EHADLO Cc1c(C)n(C2CCCCC2)c(=S)n1CN1CCn2c[nH+]cc2C1 ZINC000811787946 1136140980 /nfs/dbraw/zinc/14/09/80/1136140980.db2.gz YQTLKEKZTKIYDH-UHFFFAOYSA-N 1 2 345.516 3.811 20 0 EHADLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1(CC)CC ZINC001202397855 1136142283 /nfs/dbraw/zinc/14/22/83/1136142283.db2.gz XXAKDIJXQMIYNH-HZPDHXFCSA-N 1 2 348.491 3.561 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(N(C)C)[nH+]1 ZINC001202397734 1136142412 /nfs/dbraw/zinc/14/24/12/1136142412.db2.gz WMEVPDUSALETNZ-ARFHVFGLSA-N 1 2 330.476 3.936 20 0 EHADLO CC[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001133033081 1136146583 /nfs/dbraw/zinc/14/65/83/1136146583.db2.gz PUHZMQQJBDPIJF-UXHICEINSA-N 1 2 333.435 3.934 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000825537290 1136165434 /nfs/dbraw/zinc/16/54/34/1136165434.db2.gz USWCIWJCZAUWTR-JTQLQIEISA-N 1 2 345.315 3.707 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000825537290 1136165437 /nfs/dbraw/zinc/16/54/37/1136165437.db2.gz USWCIWJCZAUWTR-JTQLQIEISA-N 1 2 345.315 3.707 20 0 EHADLO c1c(C[NH+]2CCC(OC3CCCCC3)CC2)nnn1-c1ccccc1 ZINC000338923180 1136174763 /nfs/dbraw/zinc/17/47/63/1136174763.db2.gz GFDLPJLZTLTLSK-UHFFFAOYSA-N 1 2 340.471 3.581 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCOc1cccc(Cl)c1Cl ZINC000747780022 1136190818 /nfs/dbraw/zinc/19/08/18/1136190818.db2.gz AMVJDGUYQLIPLX-UHFFFAOYSA-N 1 2 343.210 3.629 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cc(Br)cc2ccccc21 ZINC000747782162 1136192758 /nfs/dbraw/zinc/19/27/58/1136192758.db2.gz DWFCFCQSUAFEQM-UHFFFAOYSA-N 1 2 345.196 3.693 20 0 EHADLO Cc1cccc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)n1 ZINC000812825121 1136250343 /nfs/dbraw/zinc/25/03/43/1136250343.db2.gz DMDWRAYVVMMBHN-UHFFFAOYSA-N 1 2 336.794 3.518 20 0 EHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C1CC2(CCC2)C1 ZINC001133453673 1136251951 /nfs/dbraw/zinc/25/19/51/1136251951.db2.gz OGIVFQZAQQVCRV-UHFFFAOYSA-N 1 2 349.478 3.785 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000850408499 1136252381 /nfs/dbraw/zinc/25/23/81/1136252381.db2.gz PGVKJOHPMCPKBV-UHFFFAOYSA-N 1 2 347.768 3.666 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850474252 1136266240 /nfs/dbraw/zinc/26/62/40/1136266240.db2.gz KTTIRHFWRWDBGZ-RYUDHWBXSA-N 1 2 346.452 3.667 20 0 EHADLO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001170697412 1136294239 /nfs/dbraw/zinc/29/42/39/1136294239.db2.gz GCBNCGVSGBAOQR-WKILWMFISA-N 1 2 331.460 3.606 20 0 EHADLO Cc1ccc(OCCCC(=O)Nc2c(C)c[nH+]cc2C)c(Cl)c1 ZINC001133682004 1136311886 /nfs/dbraw/zinc/31/18/86/1136311886.db2.gz GAWHJQRKQQOHLB-UHFFFAOYSA-N 1 2 332.831 3.880 20 0 EHADLO Cc1nc2c(s1)[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)CCC2 ZINC000813866240 1136368999 /nfs/dbraw/zinc/36/89/99/1136368999.db2.gz NCEFSHVRXILCPM-GJZGRUSLSA-N 1 2 331.489 3.858 20 0 EHADLO Cc1cccc([C@H](C)C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851398782 1136376386 /nfs/dbraw/zinc/37/63/86/1136376386.db2.gz FESQPWFGSODXNZ-KRWDZBQOSA-N 1 2 338.451 3.953 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc2ccncc21 ZINC000851401428 1136376922 /nfs/dbraw/zinc/37/69/22/1136376922.db2.gz LUAGDKBTEAGBJF-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180639 1136411724 /nfs/dbraw/zinc/41/17/24/1136411724.db2.gz QDSWRBUPTIUXLV-BRADTZPFSA-N 1 2 339.382 3.717 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180639 1136411727 /nfs/dbraw/zinc/41/17/27/1136411727.db2.gz QDSWRBUPTIUXLV-BRADTZPFSA-N 1 2 339.382 3.717 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(F)n1 ZINC000851842945 1136413279 /nfs/dbraw/zinc/41/32/79/1136413279.db2.gz UQDQMLZXVZIMPH-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(F)n1 ZINC000851842945 1136413282 /nfs/dbraw/zinc/41/32/82/1136413282.db2.gz UQDQMLZXVZIMPH-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@@H]1C(F)(F)F ZINC000851979032 1136424710 /nfs/dbraw/zinc/42/47/10/1136424710.db2.gz SMRWLHOWCSKLPS-NSHDSACASA-N 1 2 349.784 3.584 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@@H]1C(F)(F)F ZINC000851979032 1136424712 /nfs/dbraw/zinc/42/47/12/1136424712.db2.gz SMRWLHOWCSKLPS-NSHDSACASA-N 1 2 349.784 3.584 20 0 EHADLO C[N@H+](CCc1nsc2ccccc21)Cc1csc(C(C)(C)O)n1 ZINC000852145949 1136436565 /nfs/dbraw/zinc/43/65/65/1136436565.db2.gz FMMFYEVOERBLFH-UHFFFAOYSA-N 1 2 347.509 3.655 20 0 EHADLO C[N@@H+](CCc1nsc2ccccc21)Cc1csc(C(C)(C)O)n1 ZINC000852145949 1136436567 /nfs/dbraw/zinc/43/65/67/1136436567.db2.gz FMMFYEVOERBLFH-UHFFFAOYSA-N 1 2 347.509 3.655 20 0 EHADLO C[N@H+](Cc1cc(C(C)(C)C)on1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307528 1136447369 /nfs/dbraw/zinc/44/73/69/1136447369.db2.gz YWDLZUQHVJBMKN-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO C[N@@H+](Cc1cc(C(C)(C)C)on1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307528 1136447370 /nfs/dbraw/zinc/44/73/70/1136447370.db2.gz YWDLZUQHVJBMKN-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322223 1136448363 /nfs/dbraw/zinc/44/83/63/1136448363.db2.gz DSECJMVRKJDATK-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322223 1136448366 /nfs/dbraw/zinc/44/83/66/1136448366.db2.gz DSECJMVRKJDATK-HOTGVXAUSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc2c(c1)CCCO2 ZINC000852781576 1136486173 /nfs/dbraw/zinc/48/61/73/1136486173.db2.gz FUXVQNQIDPZYLI-AWEZNQCLSA-N 1 2 335.407 3.912 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CN1C(=O)C[C@H]1c1ccccc1)CCC2 ZINC000111173287 1136519204 /nfs/dbraw/zinc/51/92/04/1136519204.db2.gz WGRLAUMCEIXDBP-IRXDYDNUSA-N 1 2 341.480 3.692 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1)CCC2 ZINC000111173287 1136519206 /nfs/dbraw/zinc/51/92/06/1136519206.db2.gz WGRLAUMCEIXDBP-IRXDYDNUSA-N 1 2 341.480 3.692 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc(=O)c2O)no1 ZINC000853489802 1136536925 /nfs/dbraw/zinc/53/69/25/1136536925.db2.gz IGVKKFOGDPLFQK-QGZVFWFLSA-N 1 2 328.412 3.509 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(C)C)cc(=O)c2O)no1 ZINC000853489802 1136536928 /nfs/dbraw/zinc/53/69/28/1136536928.db2.gz IGVKKFOGDPLFQK-QGZVFWFLSA-N 1 2 328.412 3.509 20 0 EHADLO Clc1cnn(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1C1CC1 ZINC000853495405 1136537804 /nfs/dbraw/zinc/53/78/04/1136537804.db2.gz UBZLHRRWJFGKDK-KRWDZBQOSA-N 1 2 331.847 3.835 20 0 EHADLO Clc1cnn(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1C1CC1 ZINC000853495405 1136537808 /nfs/dbraw/zinc/53/78/08/1136537808.db2.gz UBZLHRRWJFGKDK-KRWDZBQOSA-N 1 2 331.847 3.835 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000853501655 1136538142 /nfs/dbraw/zinc/53/81/42/1136538142.db2.gz JXOYYLRHIPUUCK-CYBMUJFWSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000853501655 1136538146 /nfs/dbraw/zinc/53/81/46/1136538146.db2.gz JXOYYLRHIPUUCK-CYBMUJFWSA-N 1 2 346.352 3.507 20 0 EHADLO CC(C)n1c(=S)n(C[NH+]2CCC(C3CCC3)CC2)nc1N(C)C ZINC000853536420 1136542545 /nfs/dbraw/zinc/54/25/45/1136542545.db2.gz SHAXUGIBTWQWIK-UHFFFAOYSA-N 1 2 337.537 3.531 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561757 1136543985 /nfs/dbraw/zinc/54/39/85/1136543985.db2.gz QDAYWDRAAIDKLA-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561757 1136543988 /nfs/dbraw/zinc/54/39/88/1136543988.db2.gz QDAYWDRAAIDKLA-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2csc(C(C)=O)c2)n1 ZINC000815094089 1136555143 /nfs/dbraw/zinc/55/51/43/1136555143.db2.gz DIPUQWKAJFUNIG-UHFFFAOYSA-N 1 2 337.470 3.501 20 0 EHADLO COc1ccc(C[N@@H+]2CCC(C)=C(Br)C2)cc1OC ZINC000797605345 1136564154 /nfs/dbraw/zinc/56/41/54/1136564154.db2.gz POKABUGLXBKQAM-UHFFFAOYSA-N 1 2 326.234 3.578 20 0 EHADLO COc1ccc(C[N@H+]2CCC(C)=C(Br)C2)cc1OC ZINC000797605345 1136564158 /nfs/dbraw/zinc/56/41/58/1136564158.db2.gz POKABUGLXBKQAM-UHFFFAOYSA-N 1 2 326.234 3.578 20 0 EHADLO FC1(F)CC12CC(c1nc(-c3cccc(Cn4cc[nH+]c4)c3)no1)C2 ZINC000854024955 1136580817 /nfs/dbraw/zinc/58/08/17/1136580817.db2.gz KWOZOGRSAPGKRA-UHFFFAOYSA-N 1 2 342.349 3.884 20 0 EHADLO Cc1ccc(N2CC[C@@H]([N@@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC000854043353 1136582888 /nfs/dbraw/zinc/58/28/88/1136582888.db2.gz IIJLBPISAXQDRO-RTBURBONSA-N 1 2 335.451 3.578 20 0 EHADLO Cc1ccc(N2CC[C@@H]([N@H+]3CC(C)(C)[C@H]3c3ccncc3)C2=O)cc1 ZINC000854043353 1136582890 /nfs/dbraw/zinc/58/28/90/1136582890.db2.gz IIJLBPISAXQDRO-RTBURBONSA-N 1 2 335.451 3.578 20 0 EHADLO O=C(/C=C/C1CCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412687 1136614387 /nfs/dbraw/zinc/61/43/87/1136614387.db2.gz SNXMTIDZQZHXGR-VOTSOKGWSA-N 1 2 347.528 3.744 20 0 EHADLO O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc2[nH+]ccn21 ZINC000776747817 1136624585 /nfs/dbraw/zinc/62/45/85/1136624585.db2.gz MLEWTFPVXMNAFP-UHFFFAOYSA-N 1 2 334.404 3.634 20 0 EHADLO COCC1CC[NH+](Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000112331512 1136625950 /nfs/dbraw/zinc/62/59/50/1136625950.db2.gz GTCWDNRCLHHMEP-UHFFFAOYSA-N 1 2 336.432 3.933 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@](F)(c4cccc(Cl)c4)C3)cc12 ZINC000338967271 1136671975 /nfs/dbraw/zinc/67/19/75/1136671975.db2.gz DXCSPOBYKVPYJP-SFHVURJKSA-N 1 2 344.821 3.990 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CC[C@@](F)(c4cccc(Cl)c4)C3)cc12 ZINC000338967271 1136671976 /nfs/dbraw/zinc/67/19/76/1136671976.db2.gz DXCSPOBYKVPYJP-SFHVURJKSA-N 1 2 344.821 3.990 20 0 EHADLO CC[C@H](C)CCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381588 1136673794 /nfs/dbraw/zinc/67/37/94/1136673794.db2.gz KUSYFCBBSASXDH-IBGZPJMESA-N 1 2 346.515 3.816 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3cnn(C)c3Cl)CC2)c1 ZINC000816496060 1136725130 /nfs/dbraw/zinc/72/51/30/1136725130.db2.gz UYFYWUIULFSSCI-UHFFFAOYSA-N 1 2 333.863 3.734 20 0 EHADLO O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1cccc2[nH+]ccn21 ZINC000776870540 1136750005 /nfs/dbraw/zinc/75/00/05/1136750005.db2.gz XANICGJTEYBLJV-UHFFFAOYSA-N 1 2 343.390 3.785 20 0 EHADLO CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001135745508 1136765394 /nfs/dbraw/zinc/76/53/94/1136765394.db2.gz YBTHCPBIOFMMFN-KRWDZBQOSA-N 1 2 343.427 3.676 20 0 EHADLO CC[C@@H]1C[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)C[C@@H](CC)O1 ZINC000817280810 1136790811 /nfs/dbraw/zinc/79/08/11/1136790811.db2.gz MHMIBYZNFMGOAY-HUUCEWRRSA-N 1 2 329.362 3.821 20 0 EHADLO C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000780430214 1136796511 /nfs/dbraw/zinc/79/65/11/1136796511.db2.gz OSGJPUNGHNVSKL-IFMALSPDSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000780430214 1136796514 /nfs/dbraw/zinc/79/65/14/1136796514.db2.gz OSGJPUNGHNVSKL-IFMALSPDSA-N 1 2 334.463 3.872 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000817405821 1136805172 /nfs/dbraw/zinc/80/51/72/1136805172.db2.gz JEQVFEJWAPVEHD-SJORKVTESA-N 1 2 338.451 3.890 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)nn1C ZINC000817406541 1136805273 /nfs/dbraw/zinc/80/52/73/1136805273.db2.gz NJPGLZYHKLDMDI-OCCSQVGLSA-N 1 2 339.892 3.532 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)nn1C ZINC000817406541 1136805276 /nfs/dbraw/zinc/80/52/76/1136805276.db2.gz NJPGLZYHKLDMDI-OCCSQVGLSA-N 1 2 339.892 3.532 20 0 EHADLO Brc1ccc2c(c1)C[C@@H]([N@@H+]1CCCCC13COC3)CC2 ZINC001170878927 1136839335 /nfs/dbraw/zinc/83/93/35/1136839335.db2.gz MSLZMVXPRCUFPT-INIZCTEOSA-N 1 2 336.273 3.561 20 0 EHADLO Brc1ccc2c(c1)C[C@@H]([N@H+]1CCCCC13COC3)CC2 ZINC001170878927 1136839338 /nfs/dbraw/zinc/83/93/38/1136839338.db2.gz MSLZMVXPRCUFPT-INIZCTEOSA-N 1 2 336.273 3.561 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000857192640 1136852077 /nfs/dbraw/zinc/85/20/77/1136852077.db2.gz FIKYRJWYHADZJT-SNVBAGLBSA-N 1 2 343.374 3.520 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818180531 1136863169 /nfs/dbraw/zinc/86/31/69/1136863169.db2.gz AFWDVBPSJZIHIO-GJZGRUSLSA-N 1 2 346.450 3.829 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000818187721 1136864353 /nfs/dbraw/zinc/86/43/53/1136864353.db2.gz AEDLQAYPHVWSAK-UHFFFAOYSA-N 1 2 338.448 3.907 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3C[C@]3(F)c3ccccc3)cc12 ZINC000818229871 1136868021 /nfs/dbraw/zinc/86/80/21/1136868021.db2.gz GALCAMPGBLPZIC-QAPCUYQASA-N 1 2 344.821 3.657 20 0 EHADLO Cc1cc(C)c(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c(C)[nH+]1 ZINC000857575336 1136885275 /nfs/dbraw/zinc/88/52/75/1136885275.db2.gz OMHKZKANYQCVIE-UHFFFAOYSA-N 1 2 335.448 3.591 20 0 EHADLO Cc1ccncc1CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000857618370 1136891767 /nfs/dbraw/zinc/89/17/67/1136891767.db2.gz WUFPIBXFAJMQBJ-UHFFFAOYSA-N 1 2 347.418 3.738 20 0 EHADLO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000857865686 1136914952 /nfs/dbraw/zinc/91/49/52/1136914952.db2.gz NYCFXLBGRUGZOD-GOSISDBHSA-N 1 2 334.423 3.551 20 0 EHADLO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000857865686 1136914954 /nfs/dbraw/zinc/91/49/54/1136914954.db2.gz NYCFXLBGRUGZOD-GOSISDBHSA-N 1 2 334.423 3.551 20 0 EHADLO Cn1c(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)nc2cc(F)ccc21 ZINC000857905492 1136919815 /nfs/dbraw/zinc/91/98/15/1136919815.db2.gz IKCAGEGFLUIQTL-GFCCVEGCSA-N 1 2 330.794 3.538 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983098 1136927338 /nfs/dbraw/zinc/92/73/38/1136927338.db2.gz WOYWNZXQNIEYJE-CYBMUJFWSA-N 1 2 330.457 3.571 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000857985159 1136927563 /nfs/dbraw/zinc/92/75/63/1136927563.db2.gz GYJFKFREPVZFPO-YRGRVCCFSA-N 1 2 336.222 3.555 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010463 1136929250 /nfs/dbraw/zinc/92/92/50/1136929250.db2.gz JEMSAANOSMEBFO-SFHVURJKSA-N 1 2 339.439 3.868 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010463 1136929253 /nfs/dbraw/zinc/92/92/53/1136929253.db2.gz JEMSAANOSMEBFO-SFHVURJKSA-N 1 2 339.439 3.868 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017343 1136932232 /nfs/dbraw/zinc/93/22/32/1136932232.db2.gz NQVBUGXYFJLHHH-RHSMWYFYSA-N 1 2 346.471 3.532 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017343 1136932236 /nfs/dbraw/zinc/93/22/36/1136932236.db2.gz NQVBUGXYFJLHHH-RHSMWYFYSA-N 1 2 346.471 3.532 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000858033624 1136933737 /nfs/dbraw/zinc/93/37/37/1136933737.db2.gz PSSNPWYMCZYAFY-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000858033624 1136933740 /nfs/dbraw/zinc/93/37/40/1136933740.db2.gz PSSNPWYMCZYAFY-HNNXBMFYSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000858036810 1136934536 /nfs/dbraw/zinc/93/45/36/1136934536.db2.gz HOSVTXPFUWMCPA-CQSZACIVSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000858036810 1136934540 /nfs/dbraw/zinc/93/45/40/1136934540.db2.gz HOSVTXPFUWMCPA-CQSZACIVSA-N 1 2 341.436 3.760 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000858042474 1136934717 /nfs/dbraw/zinc/93/47/17/1136934717.db2.gz YJGBYXFGBCFEFZ-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000858042474 1136934720 /nfs/dbraw/zinc/93/47/20/1136934720.db2.gz YJGBYXFGBCFEFZ-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000858042477 1136934758 /nfs/dbraw/zinc/93/47/58/1136934758.db2.gz YJGBYXFGBCFEFZ-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000858042477 1136934760 /nfs/dbraw/zinc/93/47/60/1136934760.db2.gz YJGBYXFGBCFEFZ-ZDUSSCGKSA-N 1 2 338.238 3.745 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046150 1136934797 /nfs/dbraw/zinc/93/47/97/1136934797.db2.gz IFAQTQREFYWOBW-CZUORRHYSA-N 1 2 342.443 3.680 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858046150 1136934801 /nfs/dbraw/zinc/93/48/01/1136934801.db2.gz IFAQTQREFYWOBW-CZUORRHYSA-N 1 2 342.443 3.680 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)c1ccccc1Br ZINC000819409321 1136937084 /nfs/dbraw/zinc/93/70/84/1136937084.db2.gz RNTNYABZJBIIQB-KRWDZBQOSA-N 1 2 349.272 3.969 20 0 EHADLO CCc1cccc2[nH]c(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc21 ZINC000858251226 1136952469 /nfs/dbraw/zinc/95/24/69/1136952469.db2.gz NAGDQIWNESDPPR-UHFFFAOYSA-N 1 2 348.450 3.656 20 0 EHADLO CC(C)n1ccnc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001136257506 1136958417 /nfs/dbraw/zinc/95/84/17/1136958417.db2.gz LMBCBGRWCFOEOM-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO C/C=C(/C=C/C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)CC ZINC000819749499 1136960699 /nfs/dbraw/zinc/96/06/99/1136960699.db2.gz SKLHIOCATFXWFF-QLBWCAGESA-N 1 2 333.501 3.520 20 0 EHADLO CN(C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000858395953 1136964501 /nfs/dbraw/zinc/96/45/01/1136964501.db2.gz UHTXGYCWCSDBAP-OAHLLOKOSA-N 1 2 341.455 3.928 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000858409965 1136965642 /nfs/dbraw/zinc/96/56/42/1136965642.db2.gz RRRBPGFAGJZPOF-IUCAKERBSA-N 1 2 343.328 3.578 20 0 EHADLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1[nH+]ccc2ccccc21 ZINC000858454829 1136969566 /nfs/dbraw/zinc/96/95/66/1136969566.db2.gz FYWFOHXXTPLRHK-HUUCEWRRSA-N 1 2 341.455 3.974 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728084 1136989004 /nfs/dbraw/zinc/98/90/04/1136989004.db2.gz UYNZYGXBPWVFTG-WMZOPIPTSA-N 1 2 327.472 3.601 20 0 EHADLO C[C@H](Nc1cc(N[C@@H](C)c2ccns2)[nH+]cn1)c1ccns1 ZINC000858829882 1136993718 /nfs/dbraw/zinc/99/37/18/1136993718.db2.gz OODXKCHCPXAGHR-UWVGGRQHSA-N 1 2 332.458 3.736 20 0 EHADLO CSCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000858828487 1136993765 /nfs/dbraw/zinc/99/37/65/1136993765.db2.gz KQJDPOQCZYPIJW-UHFFFAOYSA-N 1 2 331.485 3.802 20 0 EHADLO C[C@H](C(=O)OCc1ccc(CF)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000777082720 1137001088 /nfs/dbraw/zinc/00/10/88/1137001088.db2.gz ONBJSWZSIYYRLA-OAHLLOKOSA-N 1 2 327.399 3.646 20 0 EHADLO C[C@H](C(=O)OCc1ccc(CF)cc1)[N@H+]1CCc2ccccc2C1 ZINC000777082720 1137001090 /nfs/dbraw/zinc/00/10/90/1137001090.db2.gz ONBJSWZSIYYRLA-OAHLLOKOSA-N 1 2 327.399 3.646 20 0 EHADLO CCOCC[N@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000859830271 1137033650 /nfs/dbraw/zinc/03/36/50/1137033650.db2.gz QNKSWBBBTOMDSZ-QGZVFWFLSA-N 1 2 343.471 3.893 20 0 EHADLO CCOCC[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000859830271 1137033651 /nfs/dbraw/zinc/03/36/51/1137033651.db2.gz QNKSWBBBTOMDSZ-QGZVFWFLSA-N 1 2 343.471 3.893 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CC(C)(C)c2ccc(F)cc2)c1C ZINC001136489910 1137037782 /nfs/dbraw/zinc/03/77/82/1137037782.db2.gz IKQSQNCBIBCGDE-UHFFFAOYSA-N 1 2 344.430 3.830 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)C2 ZINC000859938633 1137037844 /nfs/dbraw/zinc/03/78/44/1137037844.db2.gz QHMSENNEMQOQQF-UHFFFAOYSA-N 1 2 335.403 3.934 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)C2 ZINC000859938633 1137037845 /nfs/dbraw/zinc/03/78/45/1137037845.db2.gz QHMSENNEMQOQQF-UHFFFAOYSA-N 1 2 335.403 3.934 20 0 EHADLO COc1cccc([C@H](O)C2CC[NH+](Cc3ncc(C(C)C)o3)CC2)c1 ZINC000860143230 1137046053 /nfs/dbraw/zinc/04/60/53/1137046053.db2.gz USBYXMMWTSEZBX-HXUWFJFHSA-N 1 2 344.455 3.752 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)Cc1coc2cc(Cl)ccc12 ZINC000860683608 1137072767 /nfs/dbraw/zinc/07/27/67/1137072767.db2.gz FPKRXXGDWNGGHA-UHFFFAOYSA-N 1 2 332.787 3.538 20 0 EHADLO O=C(NOCC1CCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000822970787 1137081581 /nfs/dbraw/zinc/08/15/81/1137081581.db2.gz JFBHGTSFDOMFPC-UHFFFAOYSA-N 1 2 340.427 3.740 20 0 EHADLO CC[C@@H](C(=O)N[C@H](c1ccccc1)C1CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136690872 1137091663 /nfs/dbraw/zinc/09/16/63/1137091663.db2.gz WZAASCMCJRCTCK-HSALFYBXSA-N 1 2 344.499 3.533 20 0 EHADLO CC[C@@H](C(=O)N[C@H](c1ccccc1)C1CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136690872 1137091665 /nfs/dbraw/zinc/09/16/65/1137091665.db2.gz WZAASCMCJRCTCK-HSALFYBXSA-N 1 2 344.499 3.533 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1cccc(-c2cccnc2)c1 ZINC000861218534 1137097270 /nfs/dbraw/zinc/09/72/70/1137097270.db2.gz BRDIMUDMNQCYJE-UHFFFAOYSA-N 1 2 347.418 3.567 20 0 EHADLO CC(C)[C@H](c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823396766 1137097996 /nfs/dbraw/zinc/09/79/96/1137097996.db2.gz CTQRNOOJXZQEBC-HOCLYGCPSA-N 1 2 345.443 3.589 20 0 EHADLO C/C(=C/c1ccc(C)cc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394422 1137098120 /nfs/dbraw/zinc/09/81/20/1137098120.db2.gz ZBBSEHFMRSJEAN-WVUXNXBLSA-N 1 2 343.427 3.670 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)no1 ZINC000823404527 1137098720 /nfs/dbraw/zinc/09/87/20/1137098720.db2.gz RSOASUYJYNYZSX-KRWDZBQOSA-N 1 2 328.412 3.872 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)no1 ZINC000823404527 1137098721 /nfs/dbraw/zinc/09/87/21/1137098721.db2.gz RSOASUYJYNYZSX-KRWDZBQOSA-N 1 2 328.412 3.872 20 0 EHADLO Fc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(F)cn1 ZINC000823413255 1137098741 /nfs/dbraw/zinc/09/87/41/1137098741.db2.gz CKEFFNFJUUMYCF-UHFFFAOYSA-N 1 2 332.394 3.584 20 0 EHADLO COc1nccc(C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000823433748 1137099305 /nfs/dbraw/zinc/09/93/05/1137099305.db2.gz ZUALYNJQIQFEOC-OAHLLOKOSA-N 1 2 337.345 3.841 20 0 EHADLO COc1nccc(C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000823433748 1137099307 /nfs/dbraw/zinc/09/93/07/1137099307.db2.gz ZUALYNJQIQFEOC-OAHLLOKOSA-N 1 2 337.345 3.841 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000861350377 1137102353 /nfs/dbraw/zinc/10/23/53/1137102353.db2.gz ODANXLHTFDMUQG-VUDGCMKMSA-N 1 2 347.509 3.623 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823495670 1137102732 /nfs/dbraw/zinc/10/27/32/1137102732.db2.gz VGHMPUSKCHCPLV-OAHLLOKOSA-N 1 2 346.496 3.680 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccccc2Oc2ccccc2C)n1 ZINC000823813044 1137114104 /nfs/dbraw/zinc/11/41/04/1137114104.db2.gz UZHLHYIIOKYUBZ-UHFFFAOYSA-N 1 2 336.439 3.997 20 0 EHADLO COC[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000824065691 1137123921 /nfs/dbraw/zinc/12/39/21/1137123921.db2.gz BZEHAAJSBNSEHV-ZDUSSCGKSA-N 1 2 330.737 3.630 20 0 EHADLO Clc1cccc2c1CC[C@H](N1CC[NH+](Cc3ccco3)CC1)C2 ZINC001171050558 1137128337 /nfs/dbraw/zinc/12/83/37/1137128337.db2.gz SBXDWOUXSJXXLQ-INIZCTEOSA-N 1 2 330.859 3.608 20 0 EHADLO O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000824244764 1137130109 /nfs/dbraw/zinc/13/01/09/1137130109.db2.gz LGHBZUZFKRCVLM-SJLPKXTDSA-N 1 2 345.393 3.704 20 0 EHADLO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000824292416 1137130922 /nfs/dbraw/zinc/13/09/22/1137130922.db2.gz PGALBNYENPEFLN-LBPRGKRZSA-N 1 2 346.283 3.724 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccnc(F)c1C)CC2 ZINC000862214665 1137132380 /nfs/dbraw/zinc/13/23/80/1137132380.db2.gz ZJHKEJMWHGHWGH-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccnc(F)c1C)CC2 ZINC000862214665 1137132382 /nfs/dbraw/zinc/13/23/82/1137132382.db2.gz ZJHKEJMWHGHWGH-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO Cc1ccn2c(C[N@@H+](C)Cc3ncccc3C(F)(F)F)cnc2c1 ZINC001136885295 1137142026 /nfs/dbraw/zinc/14/20/26/1137142026.db2.gz OOZQBPOUFSVVRM-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1ccn2c(C[N@H+](C)Cc3ncccc3C(F)(F)F)cnc2c1 ZINC001136885295 1137142027 /nfs/dbraw/zinc/14/20/27/1137142027.db2.gz OOZQBPOUFSVVRM-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000824508427 1137142315 /nfs/dbraw/zinc/14/23/15/1137142315.db2.gz QPLYDBUFJRRFRU-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000824508427 1137142316 /nfs/dbraw/zinc/14/23/16/1137142316.db2.gz QPLYDBUFJRRFRU-UHFFFAOYSA-N 1 2 337.423 3.675 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC[C@@H]2CC2(Cl)Cl)c1C ZINC000824664471 1137147414 /nfs/dbraw/zinc/14/74/14/1137147414.db2.gz XDWZQLPCTKPGBE-GFCCVEGCSA-N 1 2 345.270 3.639 20 0 EHADLO CC(C)n1cc(C2=CCC[N@H+](Cc3ccnc(Cl)c3F)CC2)nn1 ZINC000824738621 1137148713 /nfs/dbraw/zinc/14/87/13/1137148713.db2.gz OVYSKCIQVLBNCD-UHFFFAOYSA-N 1 2 349.841 3.726 20 0 EHADLO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccnc(Cl)c3F)CC2)nn1 ZINC000824738621 1137148714 /nfs/dbraw/zinc/14/87/14/1137148714.db2.gz OVYSKCIQVLBNCD-UHFFFAOYSA-N 1 2 349.841 3.726 20 0 EHADLO COC(C[N@H+](Cc1nc2ccccc2s1)Cc1ccccc1)OC ZINC001136949046 1137155463 /nfs/dbraw/zinc/15/54/63/1137155463.db2.gz YYBPYUKTUYNXEK-UHFFFAOYSA-N 1 2 342.464 3.917 20 0 EHADLO COC(C[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1)OC ZINC001136949046 1137155464 /nfs/dbraw/zinc/15/54/64/1137155464.db2.gz YYBPYUKTUYNXEK-UHFFFAOYSA-N 1 2 342.464 3.917 20 0 EHADLO Cc1cccn2c(CN(C)Cc3ncccc3C(F)(F)F)c[nH+]c12 ZINC001136959819 1137157366 /nfs/dbraw/zinc/15/73/66/1137157366.db2.gz VOLWELMYQPHUGY-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1cccn2c(C[N@@H+](C)Cc3ncccc3C(F)(F)F)cnc12 ZINC001136959819 1137157367 /nfs/dbraw/zinc/15/73/67/1137157367.db2.gz VOLWELMYQPHUGY-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1cccn2c(C[N@H+](C)Cc3ncccc3C(F)(F)F)cnc12 ZINC001136959819 1137157368 /nfs/dbraw/zinc/15/73/68/1137157368.db2.gz VOLWELMYQPHUGY-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)CCN1C(=O)OC(C)(C)C ZINC001136979995 1137162618 /nfs/dbraw/zinc/16/26/18/1137162618.db2.gz YAOFQJUKRWQVLF-CYBMUJFWSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCN1C(=O)OC(C)(C)C ZINC001136979995 1137162620 /nfs/dbraw/zinc/16/26/20/1137162620.db2.gz YAOFQJUKRWQVLF-CYBMUJFWSA-N 1 2 347.434 3.748 20 0 EHADLO C[N@H+](CCSCc1ccccc1)Cc1csc(C(C)(C)O)n1 ZINC000825152956 1137165623 /nfs/dbraw/zinc/16/56/23/1137165623.db2.gz FWOKZYGFTPRQBH-UHFFFAOYSA-N 1 2 336.526 3.736 20 0 EHADLO C[N@@H+](CCSCc1ccccc1)Cc1csc(C(C)(C)O)n1 ZINC000825152956 1137165624 /nfs/dbraw/zinc/16/56/24/1137165624.db2.gz FWOKZYGFTPRQBH-UHFFFAOYSA-N 1 2 336.526 3.736 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136997587 1137168496 /nfs/dbraw/zinc/16/84/96/1137168496.db2.gz FYLHPQARYTZSAD-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136997587 1137168497 /nfs/dbraw/zinc/16/84/97/1137168497.db2.gz FYLHPQARYTZSAD-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO CCOCC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143820109 1137201584 /nfs/dbraw/zinc/20/15/84/1137201584.db2.gz WXWWQWIPYBBLGQ-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)cc1F ZINC000825251589 1137170777 /nfs/dbraw/zinc/17/07/77/1137170777.db2.gz NPVQCHXEJYDNOO-KRWDZBQOSA-N 1 2 339.370 3.688 20 0 EHADLO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)CCC(C)=O)CC1 ZINC001137021564 1137173312 /nfs/dbraw/zinc/17/33/12/1137173312.db2.gz UBXUSEBKECCGJH-IBGZPJMESA-N 1 2 344.499 3.677 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccc2c(c1)COC2 ZINC001137021942 1137173462 /nfs/dbraw/zinc/17/34/62/1137173462.db2.gz HRPANXJMQCTNNI-MRXNPFEDSA-N 1 2 340.442 3.562 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccc2c(c1)COC2 ZINC001137021942 1137173463 /nfs/dbraw/zinc/17/34/63/1137173463.db2.gz HRPANXJMQCTNNI-MRXNPFEDSA-N 1 2 340.442 3.562 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)ccn12 ZINC000863236934 1137176237 /nfs/dbraw/zinc/17/62/37/1137176237.db2.gz SSGOQAOZNSBOMX-GBESFXJTSA-N 1 2 331.419 3.518 20 0 EHADLO CC(C)C[C@@H](C(=O)NCc1ccccc1OC(C)(C)C)n1cc[nH+]c1 ZINC001137031625 1137176790 /nfs/dbraw/zinc/17/67/90/1137176790.db2.gz XDMFQSYAHQVEPQ-KRWDZBQOSA-N 1 2 343.471 3.964 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000863255097 1137178125 /nfs/dbraw/zinc/17/81/25/1137178125.db2.gz RHRFTTSZHMLGGB-IAGOWNOFSA-N 1 2 337.467 3.697 20 0 EHADLO S=c1n(C[NH+](C2CC2)C2CC2)c(C2CC2)nn1-c1ccccc1 ZINC000863304342 1137180457 /nfs/dbraw/zinc/18/04/57/1137180457.db2.gz YJXWBELAKDSPQY-UHFFFAOYSA-N 1 2 326.469 3.865 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccco1 ZINC000863330965 1137181281 /nfs/dbraw/zinc/18/12/81/1137181281.db2.gz UNIGEYTURKAYMR-UHFFFAOYSA-N 1 2 332.473 3.918 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccco1 ZINC000863330965 1137181283 /nfs/dbraw/zinc/18/12/83/1137181283.db2.gz UNIGEYTURKAYMR-UHFFFAOYSA-N 1 2 332.473 3.918 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341182 1137181603 /nfs/dbraw/zinc/18/16/03/1137181603.db2.gz WDCPGTUNDOTWNL-BAABZTOOSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341182 1137181604 /nfs/dbraw/zinc/18/16/04/1137181604.db2.gz WDCPGTUNDOTWNL-BAABZTOOSA-N 1 2 330.457 3.903 20 0 EHADLO CC[C@H]1CC[N@H+](Cn2nc(C(C)C)n(Cc3ccco3)c2=S)C1 ZINC000119466042 1137186990 /nfs/dbraw/zinc/18/69/90/1137186990.db2.gz YWDSFEHLOHBQSC-AWEZNQCLSA-N 1 2 334.489 3.868 20 0 EHADLO CC[C@H]1CC[N@@H+](Cn2nc(C(C)C)n(Cc3ccco3)c2=S)C1 ZINC000119466042 1137186991 /nfs/dbraw/zinc/18/69/91/1137186991.db2.gz YWDSFEHLOHBQSC-AWEZNQCLSA-N 1 2 334.489 3.868 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccn1 ZINC001143684318 1137187790 /nfs/dbraw/zinc/18/77/90/1137187790.db2.gz OJBUYKOIYJLZGZ-SUMWQHHRSA-N 1 2 341.402 3.701 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccn1 ZINC001143684318 1137187792 /nfs/dbraw/zinc/18/77/92/1137187792.db2.gz OJBUYKOIYJLZGZ-SUMWQHHRSA-N 1 2 341.402 3.701 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001171103765 1137198286 /nfs/dbraw/zinc/19/82/86/1137198286.db2.gz UXLPVAPJLXXZIS-GFCCVEGCSA-N 1 2 325.412 3.624 20 0 EHADLO CNC(=O)C1CC[NH+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001143793652 1137200268 /nfs/dbraw/zinc/20/02/68/1137200268.db2.gz LGWKNCLCJGNQJH-UHFFFAOYSA-N 1 2 335.662 3.605 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001143791630 1137200388 /nfs/dbraw/zinc/20/03/88/1137200388.db2.gz XPJFZTFOSCLPFA-HNNXBMFYSA-N 1 2 341.308 3.851 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001143791630 1137200389 /nfs/dbraw/zinc/20/03/89/1137200389.db2.gz XPJFZTFOSCLPFA-HNNXBMFYSA-N 1 2 341.308 3.851 20 0 EHADLO CC(C)(C(N)=O)C1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143860437 1137204900 /nfs/dbraw/zinc/20/49/00/1137204900.db2.gz NRPBSPCBWUGUNV-UHFFFAOYSA-N 1 2 347.261 3.856 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143848292 1137205431 /nfs/dbraw/zinc/20/54/31/1137205431.db2.gz SZNMZZYNWIFIJS-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1noc([C@@H]2CC[N@H+](Cc3c(F)ccc(Cl)c3Cl)C2)n1 ZINC001143866964 1137206650 /nfs/dbraw/zinc/20/66/50/1137206650.db2.gz RLSRVOAELMRBLW-SECBINFHSA-N 1 2 330.190 3.813 20 0 EHADLO Cc1noc([C@@H]2CC[N@@H+](Cc3c(F)ccc(Cl)c3Cl)C2)n1 ZINC001143866964 1137206651 /nfs/dbraw/zinc/20/66/51/1137206651.db2.gz RLSRVOAELMRBLW-SECBINFHSA-N 1 2 330.190 3.813 20 0 EHADLO Cc1ccn(C(=O)C[C@@H](C)n2cc[nH+]c2)c(=NC2CCCCC2)c1 ZINC000844311012 1137208497 /nfs/dbraw/zinc/20/84/97/1137208497.db2.gz XUYWYRDTSCRJBX-MRXNPFEDSA-N 1 2 326.444 3.518 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1F ZINC001143885674 1137210124 /nfs/dbraw/zinc/21/01/24/1137210124.db2.gz AMCKPDCFLONHMX-LLVKDONJSA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c1F ZINC001143885674 1137210125 /nfs/dbraw/zinc/21/01/25/1137210125.db2.gz AMCKPDCFLONHMX-LLVKDONJSA-N 1 2 339.798 3.559 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582778 1137214119 /nfs/dbraw/zinc/21/41/19/1137214119.db2.gz FXPMMNGOVNPBHC-LPMFXHHGSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582778 1137214120 /nfs/dbraw/zinc/21/41/20/1137214120.db2.gz FXPMMNGOVNPBHC-LPMFXHHGSA-N 1 2 346.858 3.657 20 0 EHADLO Cc1cnc(C[NH2+]C2(c3ccccc3Br)CCC2)cn1 ZINC000844351451 1137214508 /nfs/dbraw/zinc/21/45/08/1137214508.db2.gz OQNXJCLGJDHAMF-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO Cc1cc(NC(=O)C2([C@H]3CCCCO3)CCC2)ccc1-n1cc[nH+]c1 ZINC001143939953 1137216760 /nfs/dbraw/zinc/21/67/60/1137216760.db2.gz QZNAOIYJPALYLQ-GOSISDBHSA-N 1 2 339.439 3.859 20 0 EHADLO Cc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1-n1cc[nH+]c1 ZINC001143934691 1137218337 /nfs/dbraw/zinc/21/83/37/1137218337.db2.gz XNSUBZUIOCYPCF-UHFFFAOYSA-N 1 2 345.358 3.539 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958148 1137218902 /nfs/dbraw/zinc/21/89/02/1137218902.db2.gz XJUOQMMVVBLIPT-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958148 1137218904 /nfs/dbraw/zinc/21/89/04/1137218904.db2.gz XJUOQMMVVBLIPT-JTQLQIEISA-N 1 2 331.790 3.782 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ccc(F)cc1OC(F)F)n1cc[nH+]c1 ZINC000844414376 1137219199 /nfs/dbraw/zinc/21/91/99/1137219199.db2.gz GLCNMYUJOIGQEU-MNOVXSKESA-N 1 2 342.317 3.879 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961857 1137219313 /nfs/dbraw/zinc/21/93/13/1137219313.db2.gz WHVOXNBKAGLVLW-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961857 1137219314 /nfs/dbraw/zinc/21/93/14/1137219314.db2.gz WHVOXNBKAGLVLW-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C/C(Cl)=C\Cl)CC2)n1 ZINC000844410894 1137220570 /nfs/dbraw/zinc/22/05/70/1137220570.db2.gz OYECQVWFIJTUDE-JEEBAWPVSA-N 1 2 330.259 3.767 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2c(F)ccc(OC)c2F)CC1 ZINC001143983685 1137220890 /nfs/dbraw/zinc/22/08/90/1137220890.db2.gz MCZPQAXOHSWMPS-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453686 1137221445 /nfs/dbraw/zinc/22/14/45/1137221445.db2.gz GSWHIDWGJIWWPN-UJNFCWOMSA-N 1 2 335.181 3.517 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453686 1137221446 /nfs/dbraw/zinc/22/14/46/1137221446.db2.gz GSWHIDWGJIWWPN-UJNFCWOMSA-N 1 2 335.181 3.517 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001144006572 1137225577 /nfs/dbraw/zinc/22/55/77/1137225577.db2.gz RGAMESDGJHYWCV-UHFFFAOYSA-N 1 2 349.390 3.669 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)c(C)c1 ZINC000844461352 1137226014 /nfs/dbraw/zinc/22/60/14/1137226014.db2.gz CODMOMHIONHYQB-KUHUBIRLSA-N 1 2 328.412 3.846 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000794683757 1137226139 /nfs/dbraw/zinc/22/61/39/1137226139.db2.gz RWBJWPODYKHFFY-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000794683757 1137226141 /nfs/dbraw/zinc/22/61/41/1137226141.db2.gz RWBJWPODYKHFFY-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000120052146 1137228106 /nfs/dbraw/zinc/22/81/06/1137228106.db2.gz OUSKYWHQOSXGRY-IBGZPJMESA-N 1 2 343.377 3.520 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cn2cnc3cc(F)c(F)cc32)CCO1 ZINC000120052146 1137228107 /nfs/dbraw/zinc/22/81/07/1137228107.db2.gz OUSKYWHQOSXGRY-IBGZPJMESA-N 1 2 343.377 3.520 20 0 EHADLO CN(c1ccc(Nc2ccsc2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212613169 1137233177 /nfs/dbraw/zinc/23/31/77/1137233177.db2.gz GSXAIQAQJDVGKJ-UHFFFAOYSA-N 1 2 330.457 3.755 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000794702880 1137236292 /nfs/dbraw/zinc/23/62/92/1137236292.db2.gz FZMFQXQRENZRLA-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000794702880 1137236293 /nfs/dbraw/zinc/23/62/93/1137236293.db2.gz FZMFQXQRENZRLA-KRWDZBQOSA-N 1 2 325.456 3.626 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H](C)c2ccc(F)cc2F)c1C ZINC000120154988 1137236972 /nfs/dbraw/zinc/23/69/72/1137236972.db2.gz RXJHHDUMVXTQLT-NSHDSACASA-N 1 2 348.393 3.795 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138615 1137242898 /nfs/dbraw/zinc/24/28/98/1137242898.db2.gz YGRFHTLALDPHRR-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138615 1137242900 /nfs/dbraw/zinc/24/29/00/1137242900.db2.gz YGRFHTLALDPHRR-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(=S)n1C ZINC000844756400 1137250074 /nfs/dbraw/zinc/25/00/74/1137250074.db2.gz AQNOUBDILXSXCF-CYBMUJFWSA-N 1 2 348.491 3.833 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(=S)n1C ZINC000844756400 1137250075 /nfs/dbraw/zinc/25/00/75/1137250075.db2.gz AQNOUBDILXSXCF-CYBMUJFWSA-N 1 2 348.491 3.833 20 0 EHADLO CN(c1ccc(Nc2sccc2C(N)=O)c[nH+]1)C1CCCCC1 ZINC001212613519 1137251038 /nfs/dbraw/zinc/25/10/38/1137251038.db2.gz YDJIXHDRTKAOSH-UHFFFAOYSA-N 1 2 330.457 3.755 20 0 EHADLO CC[C@@H](C)Sc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)c(C)c1 ZINC000865070904 1137261477 /nfs/dbraw/zinc/26/14/77/1137261477.db2.gz MIQJYXJMUYKANY-SQRWCISFSA-N 1 2 348.512 3.713 20 0 EHADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000844965672 1137266041 /nfs/dbraw/zinc/26/60/41/1137266041.db2.gz VHMHTNNPXYRVPG-CYBMUJFWSA-N 1 2 338.238 3.576 20 0 EHADLO COCc1cc[nH+]c(NCc2cccc(F)c2OC(F)(F)F)c1 ZINC000865293205 1137275101 /nfs/dbraw/zinc/27/51/01/1137275101.db2.gz FLVOZMALCTUAQV-UHFFFAOYSA-N 1 2 330.281 3.878 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000845185781 1137278860 /nfs/dbraw/zinc/27/88/60/1137278860.db2.gz FQTKHDJKWBFPAA-GDBMZVCRSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1cc(C)c(C(=O)[C@H](C)OC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC000845277409 1137283153 /nfs/dbraw/zinc/28/31/53/1137283153.db2.gz HBLYIQJNXJITEO-HOTGVXAUSA-N 1 2 328.412 3.574 20 0 EHADLO C[C@@H](CC(=O)OCc1csc(-c2cccs2)n1)n1cc[nH+]c1 ZINC000845279132 1137283298 /nfs/dbraw/zinc/28/32/98/1137283298.db2.gz LXLJAQUIALNSAA-NSHDSACASA-N 1 2 333.438 3.763 20 0 EHADLO C[C@H](CC(=O)OCCn1ccc2cc(Cl)ccc21)n1cc[nH+]c1 ZINC000845283797 1137283627 /nfs/dbraw/zinc/28/36/27/1137283627.db2.gz HBXBVYXLNDTYJA-CYBMUJFWSA-N 1 2 331.803 3.686 20 0 EHADLO C[C@H](CC(=O)OCC(=O)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000845283609 1137283691 /nfs/dbraw/zinc/28/36/91/1137283691.db2.gz FDFQUXDQYGPTGK-SNVBAGLBSA-N 1 2 341.194 3.567 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1Br ZINC000865459301 1137285862 /nfs/dbraw/zinc/28/58/62/1137285862.db2.gz CQADHLJQTVNKAH-GFCCVEGCSA-N 1 2 337.265 3.781 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+](Cc1ccccc1F)C1CC1 ZINC000120568760 1137286587 /nfs/dbraw/zinc/28/65/87/1137286587.db2.gz DZODPXKPRYIGQA-UHFFFAOYSA-N 1 2 345.414 3.982 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000120568760 1137286589 /nfs/dbraw/zinc/28/65/89/1137286589.db2.gz DZODPXKPRYIGQA-UHFFFAOYSA-N 1 2 345.414 3.982 20 0 EHADLO CCOc1cc(F)cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000865493702 1137288611 /nfs/dbraw/zinc/28/86/11/1137288611.db2.gz ODMQYWOFGPFSRA-AWEZNQCLSA-N 1 2 340.402 3.656 20 0 EHADLO COc1ncc(Br)cc1CNc1ccc([NH+](C)C)cc1 ZINC000865495309 1137288804 /nfs/dbraw/zinc/28/88/04/1137288804.db2.gz IKNYTEWXVKTZAR-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO Cc1ccc(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000865505978 1137289878 /nfs/dbraw/zinc/28/98/78/1137289878.db2.gz NWGJPVKTEDPIMH-GFCCVEGCSA-N 1 2 329.391 3.659 20 0 EHADLO CC(C)Oc1ccc(CCCOC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845449929 1137292640 /nfs/dbraw/zinc/29/26/40/1137292640.db2.gz PWLSPCHBAYPRDV-INIZCTEOSA-N 1 2 330.428 3.797 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000845526721 1137296802 /nfs/dbraw/zinc/29/68/02/1137296802.db2.gz KMUHPPDTUFZROA-UHFFFAOYSA-N 1 2 342.292 3.525 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3cc(C)oc3C)CCCC2)no1 ZINC000120694910 1137305239 /nfs/dbraw/zinc/30/52/39/1137305239.db2.gz OHXRNPHJMMOODK-UHFFFAOYSA-N 1 2 346.475 3.680 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3cccc(OC4CC4)c3F)c2c1 ZINC000865761940 1137309628 /nfs/dbraw/zinc/30/96/28/1137309628.db2.gz SFONGGWEGOURJN-UHFFFAOYSA-N 1 2 330.334 3.937 20 0 EHADLO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144561273 1137310026 /nfs/dbraw/zinc/31/00/26/1137310026.db2.gz DXOYCDAJKLWGBV-CYBMUJFWSA-N 1 2 349.377 3.624 20 0 EHADLO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144561273 1137310028 /nfs/dbraw/zinc/31/00/28/1137310028.db2.gz DXOYCDAJKLWGBV-CYBMUJFWSA-N 1 2 349.377 3.624 20 0 EHADLO C[C@H](O)c1ncc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)s1 ZINC000865790120 1137312139 /nfs/dbraw/zinc/31/21/39/1137312139.db2.gz JOFFCAMXHWWLLY-QMMMGPOBSA-N 1 2 348.802 3.741 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@@H](CC(C)C)C2)n1 ZINC000120750275 1137312492 /nfs/dbraw/zinc/31/24/92/1137312492.db2.gz KQOOTUMMZVLGRL-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@@H](CC(C)C)C2)n1 ZINC000120750275 1137312494 /nfs/dbraw/zinc/31/24/94/1137312494.db2.gz KQOOTUMMZVLGRL-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(F)cc1Br ZINC001144583845 1137312948 /nfs/dbraw/zinc/31/29/48/1137312948.db2.gz NOWDXFAZCYTOAL-ABAIWWIYSA-N 1 2 328.225 3.507 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(F)cc1Br ZINC001144583845 1137312950 /nfs/dbraw/zinc/31/29/50/1137312950.db2.gz NOWDXFAZCYTOAL-ABAIWWIYSA-N 1 2 328.225 3.507 20 0 EHADLO Cc1cc(C[N@@H+]2CCCOC(C)(C)C2)c(F)cc1Br ZINC001144588408 1137313357 /nfs/dbraw/zinc/31/33/57/1137313357.db2.gz PJRAVFKLDPQYGP-UHFFFAOYSA-N 1 2 330.241 3.898 20 0 EHADLO Cc1cc(C[N@H+]2CCCOC(C)(C)C2)c(F)cc1Br ZINC001144588408 1137313358 /nfs/dbraw/zinc/31/33/58/1137313358.db2.gz PJRAVFKLDPQYGP-UHFFFAOYSA-N 1 2 330.241 3.898 20 0 EHADLO O=C(c1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1)N1CCCC1 ZINC000865821270 1137314345 /nfs/dbraw/zinc/31/43/45/1137314345.db2.gz DTQUZFLPDRNCLD-LJQANCHMSA-N 1 2 344.405 3.862 20 0 EHADLO C[C@@H]1OC2(CCN(Cc3[nH+]cn4ccccc34)CC2)c2ccccc21 ZINC001144630495 1137320856 /nfs/dbraw/zinc/32/08/56/1137320856.db2.gz JKAZVQXRAUGCTG-INIZCTEOSA-N 1 2 333.435 3.917 20 0 EHADLO CCc1cc2c(CC(=O)NC[C@H](C)Cn3cc[nH+]c3)csc2s1 ZINC000866002119 1137323885 /nfs/dbraw/zinc/32/38/85/1137323885.db2.gz NDQWGFYYXJUCCH-LBPRGKRZSA-N 1 2 347.509 3.717 20 0 EHADLO CCCc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)s1 ZINC000866149817 1137332095 /nfs/dbraw/zinc/33/20/95/1137332095.db2.gz RXNBHUPIJMGIRK-UHFFFAOYSA-N 1 2 330.444 3.502 20 0 EHADLO CCCc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)s1 ZINC000866149817 1137332097 /nfs/dbraw/zinc/33/20/97/1137332097.db2.gz RXNBHUPIJMGIRK-UHFFFAOYSA-N 1 2 330.444 3.502 20 0 EHADLO CC(C)c1cc(NC[C@@H]2CC3(CO2)CCOCC3)nc(C(C)C)[nH+]1 ZINC000866174939 1137333387 /nfs/dbraw/zinc/33/33/87/1137333387.db2.gz GLKLQLQGJFUAGU-HNNXBMFYSA-N 1 2 333.476 3.721 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1Cl)C2 ZINC001144726223 1137336622 /nfs/dbraw/zinc/33/66/22/1137336622.db2.gz FKQVWAFEYLXRHY-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1Cl)C2 ZINC001144726223 1137336624 /nfs/dbraw/zinc/33/66/24/1137336624.db2.gz FKQVWAFEYLXRHY-SUMWQHHRSA-N 1 2 345.817 3.778 20 0 EHADLO Cc1nc(N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc[nH+]1 ZINC000866241114 1137338183 /nfs/dbraw/zinc/33/81/83/1137338183.db2.gz WDCPVZYPFYKZCC-IBGZPJMESA-N 1 2 348.491 3.552 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001144754859 1137342946 /nfs/dbraw/zinc/34/29/46/1137342946.db2.gz OZOYLULQXWDGDB-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001144754859 1137342948 /nfs/dbraw/zinc/34/29/48/1137342948.db2.gz OZOYLULQXWDGDB-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2cc(Br)ncc2F)c1 ZINC000846212828 1137343491 /nfs/dbraw/zinc/34/34/91/1137343491.db2.gz OIGYTRZRQFAHQN-SECBINFHSA-N 1 2 340.196 3.698 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2cn[nH]n2)cc1 ZINC000846212586 1137343552 /nfs/dbraw/zinc/34/35/52/1137343552.db2.gz FTABXARDGKPTTJ-FZMZJTMJSA-N 1 2 343.233 3.597 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2c[nH]nn2)cc1 ZINC000846212586 1137343555 /nfs/dbraw/zinc/34/35/55/1137343555.db2.gz FTABXARDGKPTTJ-FZMZJTMJSA-N 1 2 343.233 3.597 20 0 EHADLO CCn1cc(C[NH2+][C@@H](Cc2cccc(F)c2)c2ccccc2F)nn1 ZINC000866390561 1137351025 /nfs/dbraw/zinc/35/10/25/1137351025.db2.gz XWOXZPMPFBELEE-IBGZPJMESA-N 1 2 342.393 3.650 20 0 EHADLO O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846655021 1137360478 /nfs/dbraw/zinc/36/04/78/1137360478.db2.gz OEIOKZJGEAMSRC-KKUMJFAQSA-N 1 2 337.414 3.746 20 0 EHADLO CCCCCCOCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846653263 1137360507 /nfs/dbraw/zinc/36/05/07/1137360507.db2.gz CEMMJWCTNCUCPX-QAQDUYKDSA-N 1 2 333.476 3.518 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2OC(F)F)n(C)n1 ZINC000866547309 1137363719 /nfs/dbraw/zinc/36/37/19/1137363719.db2.gz VFLLMFYZXHWTSR-JTQLQIEISA-N 1 2 329.778 3.834 20 0 EHADLO COC(=O)/C=C/c1ccc(CNc2[nH+]c3ccccc3n2C2CC2)o1 ZINC000846775721 1137366708 /nfs/dbraw/zinc/36/67/08/1137366708.db2.gz UPRNZEGOHJIYRX-ZHACJKMWSA-N 1 2 337.379 3.763 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000846837565 1137370907 /nfs/dbraw/zinc/37/09/07/1137370907.db2.gz XCOXSFQWBNTBAF-CYBMUJFWSA-N 1 2 341.842 3.570 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000846837565 1137370908 /nfs/dbraw/zinc/37/09/08/1137370908.db2.gz XCOXSFQWBNTBAF-CYBMUJFWSA-N 1 2 341.842 3.570 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc2scnc21 ZINC000867627308 1137383013 /nfs/dbraw/zinc/38/30/13/1137383013.db2.gz FIBPPHFFIJECGL-UHFFFAOYSA-N 1 2 347.465 3.687 20 0 EHADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292044 1137388551 /nfs/dbraw/zinc/38/85/51/1137388551.db2.gz UUISEPQJUGFVMR-GJZGRUSLSA-N 1 2 338.854 3.606 20 0 EHADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292044 1137388552 /nfs/dbraw/zinc/38/85/52/1137388552.db2.gz UUISEPQJUGFVMR-GJZGRUSLSA-N 1 2 338.854 3.606 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001146409624 1137390074 /nfs/dbraw/zinc/39/00/74/1137390074.db2.gz BUKHGTYWYPQUDQ-JOCHJYFZSA-N 1 2 345.446 3.991 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001147210925 1137402026 /nfs/dbraw/zinc/40/20/26/1137402026.db2.gz LFSQYWMFZSWMFL-ZHALLVOQSA-N 1 2 349.409 3.753 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001147210925 1137402028 /nfs/dbraw/zinc/40/20/28/1137402028.db2.gz LFSQYWMFZSWMFL-ZHALLVOQSA-N 1 2 349.409 3.753 20 0 EHADLO COC(=O)Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001212616708 1137403912 /nfs/dbraw/zinc/40/39/12/1137403912.db2.gz SJWZSWBSAPFEAC-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1OCC1CCCCC1 ZINC001147468789 1137407163 /nfs/dbraw/zinc/40/71/63/1137407163.db2.gz BIPWLMAEVFDLKD-UHFFFAOYSA-N 1 2 327.428 3.858 20 0 EHADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000868698105 1137420017 /nfs/dbraw/zinc/42/00/17/1137420017.db2.gz FRHKYXZUOMMETP-RYQLBKOJSA-N 1 2 343.858 3.551 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)n1 ZINC000348118429 1137442513 /nfs/dbraw/zinc/44/25/13/1137442513.db2.gz YQBFMRIEODOPEW-RDTXWAMCSA-N 1 2 343.496 3.678 20 0 EHADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000282789228 1137451508 /nfs/dbraw/zinc/45/15/08/1137451508.db2.gz GVJRLPLWDBAIOS-AWEZNQCLSA-N 1 2 335.407 3.915 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(C)[nH]1 ZINC000348203366 1137454757 /nfs/dbraw/zinc/45/47/57/1137454757.db2.gz CBVQLHNIQAEYAO-CQSZACIVSA-N 1 2 330.453 3.613 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(C)[nH]1 ZINC000348203366 1137454758 /nfs/dbraw/zinc/45/47/58/1137454758.db2.gz CBVQLHNIQAEYAO-CQSZACIVSA-N 1 2 330.453 3.613 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC001171364298 1137457617 /nfs/dbraw/zinc/45/76/17/1137457617.db2.gz BICQUWUHXUQJJZ-GUDVDZBRSA-N 1 2 325.456 3.923 20 0 EHADLO O=C1COc2c[nH+]c(NC3(c4cccc(F)c4)CCCCC3)cc2N1 ZINC001171406427 1137472759 /nfs/dbraw/zinc/47/27/59/1137472759.db2.gz MQZBZIQHCNPNMW-UHFFFAOYSA-N 1 2 341.386 3.823 20 0 EHADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(Br)s1)CCC2 ZINC000714949210 1137475144 /nfs/dbraw/zinc/47/51/44/1137475144.db2.gz CNIVLIOSXTWFPV-GFCCVEGCSA-N 1 2 339.258 3.778 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000870119774 1137477753 /nfs/dbraw/zinc/47/77/53/1137477753.db2.gz FGKOZPPRPXQDEM-CYBMUJFWSA-N 1 2 334.366 3.736 20 0 EHADLO COCCCOCC[N@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000773271180 1137483790 /nfs/dbraw/zinc/48/37/90/1137483790.db2.gz KRVAQZTZFGQZLZ-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO COCCCOCC[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000773271180 1137483792 /nfs/dbraw/zinc/48/37/92/1137483792.db2.gz KRVAQZTZFGQZLZ-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171443122 1137486100 /nfs/dbraw/zinc/48/61/00/1137486100.db2.gz XIAXIADOASHXHS-YOEHRIQHSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171443122 1137486102 /nfs/dbraw/zinc/48/61/02/1137486102.db2.gz XIAXIADOASHXHS-YOEHRIQHSA-N 1 2 334.435 3.582 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171464012 1137490775 /nfs/dbraw/zinc/49/07/75/1137490775.db2.gz ZDHNBOMWWMEELD-MAUKXSAKSA-N 1 2 337.410 3.534 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171492762 1137491830 /nfs/dbraw/zinc/49/18/30/1137491830.db2.gz HWERUZGQJYQRCE-ZDUSSCGKSA-N 1 2 347.361 3.608 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171492762 1137491831 /nfs/dbraw/zinc/49/18/31/1137491831.db2.gz HWERUZGQJYQRCE-ZDUSSCGKSA-N 1 2 347.361 3.608 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC ZINC001171530711 1137493798 /nfs/dbraw/zinc/49/37/98/1137493798.db2.gz UUPWZLPMAMVASX-DOMZBBRYSA-N 1 2 343.389 3.673 20 0 EHADLO CCC[C@@H]([NH2+][C@H]1Cc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001171786717 1137512223 /nfs/dbraw/zinc/51/22/23/1137512223.db2.gz COQNVHQXQBCEPR-FXAWDEMLSA-N 1 2 341.426 3.795 20 0 EHADLO CCOC(C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1)OCC ZINC001171847755 1137515811 /nfs/dbraw/zinc/51/58/11/1137515811.db2.gz RIROZQDOEPACTM-UHFFFAOYSA-N 1 2 347.286 3.515 20 0 EHADLO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133273 1137536121 /nfs/dbraw/zinc/53/61/21/1137536121.db2.gz QTZYIMPDCCIQCR-PIIMJCKOSA-N 1 2 344.474 3.736 20 0 EHADLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001172324306 1137547418 /nfs/dbraw/zinc/54/74/18/1137547418.db2.gz GHUUOBCHRSJOHK-ZNMIVQPWSA-N 1 2 333.538 3.633 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000871869880 1137561572 /nfs/dbraw/zinc/56/15/72/1137561572.db2.gz BMFKQGNKTULXSI-NXEZZACHSA-N 1 2 342.317 3.892 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000871869884 1137561585 /nfs/dbraw/zinc/56/15/85/1137561585.db2.gz BMFKQGNKTULXSI-VHSXEESVSA-N 1 2 342.317 3.892 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc(O)ccc1F ZINC000872019875 1137565154 /nfs/dbraw/zinc/56/51/54/1137565154.db2.gz AWRFHDUIGOJGRX-SNVBAGLBSA-N 1 2 344.308 3.718 20 0 EHADLO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1nn(C)cc1Cl)CCCC2 ZINC000872077029 1137570013 /nfs/dbraw/zinc/57/00/13/1137570013.db2.gz XOQQUHFHGDODGL-OAHLLOKOSA-N 1 2 349.862 3.648 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc2S1 ZINC000872082712 1137570307 /nfs/dbraw/zinc/57/03/07/1137570307.db2.gz AAJNKWBQUYEKET-ZIAGYGMSSA-N 1 2 344.484 3.762 20 0 EHADLO [NH3+][C@H](c1nc([C@H]2CCCS2)no1)c1cccc(C(F)(F)F)c1 ZINC000872175028 1137575319 /nfs/dbraw/zinc/57/53/19/1137575319.db2.gz IRRBNUJTCVYAEW-MNOVXSKESA-N 1 2 329.347 3.705 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ncc(C3CC3)o2)C(C)(C)CC1 ZINC000872292593 1137578082 /nfs/dbraw/zinc/57/80/82/1137578082.db2.gz IKBHYTHFRLKEEK-UHFFFAOYSA-N 1 2 349.475 3.773 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ncc(C3CC3)o2)C(C)(C)CC1 ZINC000872292593 1137578083 /nfs/dbraw/zinc/57/80/83/1137578083.db2.gz IKBHYTHFRLKEEK-UHFFFAOYSA-N 1 2 349.475 3.773 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)CN1CCC3(CCCC3)C1=O)CCC2 ZINC000872577607 1137581682 /nfs/dbraw/zinc/58/16/82/1137581682.db2.gz JTZQQMLDMJVTGX-OAHLLOKOSA-N 1 2 333.501 3.511 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1CCC3(CCCC3)C1=O)CCC2 ZINC000872577607 1137581683 /nfs/dbraw/zinc/58/16/83/1137581683.db2.gz JTZQQMLDMJVTGX-OAHLLOKOSA-N 1 2 333.501 3.511 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(Br)c3ccccc3n2C)on1 ZINC000873044426 1137588776 /nfs/dbraw/zinc/58/87/76/1137588776.db2.gz NCULZKZMQXSBMF-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cnccc1C(F)(F)F ZINC000873141131 1137591300 /nfs/dbraw/zinc/59/13/00/1137591300.db2.gz ZGQXFZCYKZVJPF-UHFFFAOYSA-N 1 2 328.309 3.928 20 0 EHADLO COc1cc(NCc2c[nH+]cn2C(C)C)c2nccc(OC)c2c1 ZINC000873198445 1137593808 /nfs/dbraw/zinc/59/38/08/1137593808.db2.gz KSSOCDTUSGFYIU-UHFFFAOYSA-N 1 2 326.400 3.642 20 0 EHADLO CCCc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873817246 1137606959 /nfs/dbraw/zinc/60/69/59/1137606959.db2.gz XALYTGDUACXUNU-CQSZACIVSA-N 1 2 325.334 3.968 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1C ZINC000874147444 1137610910 /nfs/dbraw/zinc/61/09/10/1137610910.db2.gz SWYPTQPJMZWJFJ-ZDUSSCGKSA-N 1 2 346.500 3.757 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1C ZINC000874147444 1137610911 /nfs/dbraw/zinc/61/09/11/1137610911.db2.gz SWYPTQPJMZWJFJ-ZDUSSCGKSA-N 1 2 346.500 3.757 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000874324920 1137613135 /nfs/dbraw/zinc/61/31/35/1137613135.db2.gz ULIYKXGYEVSHJS-MSOLQXFVSA-N 1 2 325.456 3.693 20 0 EHADLO CC(C)c1nsc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000874691896 1137621225 /nfs/dbraw/zinc/62/12/25/1137621225.db2.gz LVPNZTJEXQJRAU-LBPRGKRZSA-N 1 2 338.864 3.556 20 0 EHADLO C[C@H](CC(=O)Nc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1)n1cc[nH+]c1 ZINC000876335777 1137649067 /nfs/dbraw/zinc/64/90/67/1137649067.db2.gz NNJSNHWQBAQEJU-BFYDXBDKSA-N 1 2 349.438 3.782 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)C1 ZINC000126301054 1137667931 /nfs/dbraw/zinc/66/79/31/1137667931.db2.gz FGCJYCIBDXKAKC-UKRRQHHQSA-N 1 2 335.517 3.621 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)C1 ZINC000126301054 1137667932 /nfs/dbraw/zinc/66/79/32/1137667932.db2.gz FGCJYCIBDXKAKC-UKRRQHHQSA-N 1 2 335.517 3.621 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)cs1 ZINC000877074233 1137669561 /nfs/dbraw/zinc/66/95/61/1137669561.db2.gz DCOLVJVGUPGNGV-SECBINFHSA-N 1 2 337.832 3.935 20 0 EHADLO CCOc1cccc(F)c1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000877391089 1137675170 /nfs/dbraw/zinc/67/51/70/1137675170.db2.gz MPZAWPCMKZLIBZ-INIZCTEOSA-N 1 2 349.368 3.750 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000877497569 1137678612 /nfs/dbraw/zinc/67/86/12/1137678612.db2.gz UARCCIYXANDPCP-HNNXBMFYSA-N 1 2 330.819 3.942 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc2c(ccnc2Cl)o1 ZINC000877497569 1137678613 /nfs/dbraw/zinc/67/86/13/1137678613.db2.gz UARCCIYXANDPCP-HNNXBMFYSA-N 1 2 330.819 3.942 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)n1 ZINC000877573679 1137681743 /nfs/dbraw/zinc/68/17/43/1137681743.db2.gz SICJSSIPTULPFU-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)n1 ZINC000877573679 1137681744 /nfs/dbraw/zinc/68/17/44/1137681744.db2.gz SICJSSIPTULPFU-CQSZACIVSA-N 1 2 345.668 3.500 20 0 EHADLO COc1ncc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)s1 ZINC000877668758 1137684987 /nfs/dbraw/zinc/68/49/87/1137684987.db2.gz NARXSXRZWUQOHC-UHFFFAOYSA-N 1 2 337.832 3.971 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1C ZINC000877693902 1137685990 /nfs/dbraw/zinc/68/59/90/1137685990.db2.gz UCUBUAMGIPNMAT-UHFFFAOYSA-N 1 2 345.367 3.713 20 0 EHADLO COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877693193 1137686016 /nfs/dbraw/zinc/68/60/16/1137686016.db2.gz LJONGJAKYWBVNQ-DLBZAZTESA-N 1 2 340.423 3.596 20 0 EHADLO F[C@@]1(c2ccccc2)CCC[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000877712448 1137686871 /nfs/dbraw/zinc/68/68/71/1137686871.db2.gz MDUZYKVTGYKVOG-SFHVURJKSA-N 1 2 348.443 3.649 20 0 EHADLO F[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000877712448 1137686872 /nfs/dbraw/zinc/68/68/72/1137686872.db2.gz MDUZYKVTGYKVOG-SFHVURJKSA-N 1 2 348.443 3.649 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737380 1137687508 /nfs/dbraw/zinc/68/75/08/1137687508.db2.gz HZQXMJJTTSQXAU-ZJUUUORDSA-N 1 2 347.709 3.682 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737380 1137687509 /nfs/dbraw/zinc/68/75/09/1137687509.db2.gz HZQXMJJTTSQXAU-ZJUUUORDSA-N 1 2 347.709 3.682 20 0 EHADLO CC(C)c1cnc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)s1 ZINC000877763113 1137688844 /nfs/dbraw/zinc/68/88/44/1137688844.db2.gz YKJBKTVXFJBZLE-HNNXBMFYSA-N 1 2 328.485 3.646 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)s1 ZINC000877763113 1137688845 /nfs/dbraw/zinc/68/88/45/1137688845.db2.gz YKJBKTVXFJBZLE-HNNXBMFYSA-N 1 2 328.485 3.646 20 0 EHADLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)o1 ZINC000877820678 1137691646 /nfs/dbraw/zinc/69/16/46/1137691646.db2.gz JKRIXHBXWWBHPV-LLVKDONJSA-N 1 2 345.333 3.889 20 0 EHADLO FC(F)SCc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)o1 ZINC000877820678 1137691647 /nfs/dbraw/zinc/69/16/47/1137691647.db2.gz JKRIXHBXWWBHPV-LLVKDONJSA-N 1 2 345.333 3.889 20 0 EHADLO c1cc([C@@H]2CCC[N@H+]2Cc2nc3c(o2)CCCC3)cc2c1OCO2 ZINC000878047399 1137700685 /nfs/dbraw/zinc/70/06/85/1137700685.db2.gz FGTKRLCLORTKNK-HNNXBMFYSA-N 1 2 326.396 3.619 20 0 EHADLO c1cc([C@@H]2CCC[N@@H+]2Cc2nc3c(o2)CCCC3)cc2c1OCO2 ZINC000878047399 1137700686 /nfs/dbraw/zinc/70/06/86/1137700686.db2.gz FGTKRLCLORTKNK-HNNXBMFYSA-N 1 2 326.396 3.619 20 0 EHADLO COCc1csc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000826017113 1137701125 /nfs/dbraw/zinc/70/11/25/1137701125.db2.gz OCMFYXGFBKQKBN-CQSZACIVSA-N 1 2 337.407 3.826 20 0 EHADLO COCc1csc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000826017113 1137701126 /nfs/dbraw/zinc/70/11/26/1137701126.db2.gz OCMFYXGFBKQKBN-CQSZACIVSA-N 1 2 337.407 3.826 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000878115091 1137702898 /nfs/dbraw/zinc/70/28/98/1137702898.db2.gz WIAMSEXWENQVDY-YJBOKZPZSA-N 1 2 341.480 3.507 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000878115091 1137702899 /nfs/dbraw/zinc/70/28/99/1137702899.db2.gz WIAMSEXWENQVDY-YJBOKZPZSA-N 1 2 341.480 3.507 20 0 EHADLO C[N@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc([S@](C)=O)cc1 ZINC000878170368 1137705707 /nfs/dbraw/zinc/70/57/07/1137705707.db2.gz ZNYMCAKLVVSZGH-QFIPXVFZSA-N 1 2 331.359 3.668 20 0 EHADLO C[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc([S@](C)=O)cc1 ZINC000878170368 1137705708 /nfs/dbraw/zinc/70/57/08/1137705708.db2.gz ZNYMCAKLVVSZGH-QFIPXVFZSA-N 1 2 331.359 3.668 20 0 EHADLO c1coc([C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181100 1137706188 /nfs/dbraw/zinc/70/61/88/1137706188.db2.gz LCMAKAVIUCXKQF-BJLQDIEVSA-N 1 2 327.424 3.963 20 0 EHADLO c1coc([C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181100 1137706189 /nfs/dbraw/zinc/70/61/89/1137706189.db2.gz LCMAKAVIUCXKQF-BJLQDIEVSA-N 1 2 327.424 3.963 20 0 EHADLO C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccc(F)cc1F ZINC000878344713 1137711614 /nfs/dbraw/zinc/71/16/14/1137711614.db2.gz GDYMYOGFNXCKLJ-JTQLQIEISA-N 1 2 334.395 3.673 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878522091 1137718835 /nfs/dbraw/zinc/71/88/35/1137718835.db2.gz KCUCHQYYZBJDQA-UHFFFAOYSA-N 1 2 344.308 3.876 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccncc3)C2)sc1Br ZINC000878628678 1137722945 /nfs/dbraw/zinc/72/29/45/1137722945.db2.gz LUMUKUHPYJYGJS-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@H](c3ccncc3)C2)sc1Br ZINC000878628678 1137722946 /nfs/dbraw/zinc/72/29/46/1137722946.db2.gz LUMUKUHPYJYGJS-LBPRGKRZSA-N 1 2 338.274 3.599 20 0 EHADLO c1csc(CC[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000878863154 1137730340 /nfs/dbraw/zinc/73/03/40/1137730340.db2.gz QLKGQFITTYEUHF-UHFFFAOYSA-N 1 2 338.480 3.955 20 0 EHADLO CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921264 1137732165 /nfs/dbraw/zinc/73/21/65/1137732165.db2.gz OIXABWAZRVOPTN-QWHCGFSZSA-N 1 2 343.393 3.980 20 0 EHADLO CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921264 1137732166 /nfs/dbraw/zinc/73/21/66/1137732166.db2.gz OIXABWAZRVOPTN-QWHCGFSZSA-N 1 2 343.393 3.980 20 0 EHADLO CC1CCN(C(=O)C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)CC1 ZINC000879157632 1137739719 /nfs/dbraw/zinc/73/97/19/1137739719.db2.gz LAINXMNHKJSPGU-UHFFFAOYSA-N 1 2 349.862 3.564 20 0 EHADLO CCON(CC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000879381691 1137746187 /nfs/dbraw/zinc/74/61/87/1137746187.db2.gz JJUGVOODRYSYSY-UHFFFAOYSA-N 1 2 328.416 3.692 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1sc2cccc(F)c2c1Cl ZINC000879553092 1137750609 /nfs/dbraw/zinc/75/06/09/1137750609.db2.gz WKLSECBDLUYOQQ-VIFPVBQESA-N 1 2 349.818 3.635 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H](C)c3cc4cnccc4o3)o2)c(C)o1 ZINC000879712936 1137756203 /nfs/dbraw/zinc/75/62/03/1137756203.db2.gz MIMIIKUZDNNLON-NSHDSACASA-N 1 2 338.367 3.938 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1F ZINC000626127367 1137756397 /nfs/dbraw/zinc/75/63/97/1137756397.db2.gz LNSJVXMNBNPRJU-ZDUSSCGKSA-N 1 2 333.432 3.553 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1F ZINC000626127367 1137756398 /nfs/dbraw/zinc/75/63/98/1137756398.db2.gz LNSJVXMNBNPRJU-ZDUSSCGKSA-N 1 2 333.432 3.553 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)n2)c1 ZINC000879752247 1137758046 /nfs/dbraw/zinc/75/80/46/1137758046.db2.gz QTAUNUMWNTXYEM-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc(Br)n2)c1 ZINC000879752247 1137758047 /nfs/dbraw/zinc/75/80/47/1137758047.db2.gz QTAUNUMWNTXYEM-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880006998 1137764764 /nfs/dbraw/zinc/76/47/64/1137764764.db2.gz BDFAELXMCOOXPV-NWDGAFQWSA-N 1 2 338.502 3.638 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880006998 1137764765 /nfs/dbraw/zinc/76/47/65/1137764765.db2.gz BDFAELXMCOOXPV-NWDGAFQWSA-N 1 2 338.502 3.638 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2coc(-c3cccs3)n2)(c2ccccc2)C1 ZINC000880223724 1137771358 /nfs/dbraw/zinc/77/13/58/1137771358.db2.gz OWYZKAUHBDKWBS-RHNCMZPLSA-N 1 2 326.421 3.543 20 0 EHADLO Cc1cccc2c(C[N@@H+]3CCc4c([nH]nc4C(F)(F)F)C3)[nH]nc21 ZINC001137150864 1137773168 /nfs/dbraw/zinc/77/31/68/1137773168.db2.gz ZRYWQPFAMHBPSA-OAHLLOKOSA-N 1 2 335.333 3.728 20 0 EHADLO Cc1cccc2c(C[N@H+]3CCc4c([nH]nc4C(F)(F)F)C3)[nH]nc21 ZINC001137150864 1137773169 /nfs/dbraw/zinc/77/31/69/1137773169.db2.gz ZRYWQPFAMHBPSA-OAHLLOKOSA-N 1 2 335.333 3.728 20 0 EHADLO CCc1nnc(C[N@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)s1 ZINC000626133366 1137788992 /nfs/dbraw/zinc/78/89/92/1137788992.db2.gz MLRCVWQJSCFSRL-CZUORRHYSA-N 1 2 331.485 3.625 20 0 EHADLO CCc1nnc(C[N@@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)s1 ZINC000626133366 1137788993 /nfs/dbraw/zinc/78/89/93/1137788993.db2.gz MLRCVWQJSCFSRL-CZUORRHYSA-N 1 2 331.485 3.625 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000880775017 1137789040 /nfs/dbraw/zinc/78/90/40/1137789040.db2.gz JLUKMZVQJQTFHY-GFCCVEGCSA-N 1 2 334.370 3.521 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000880775018 1137789067 /nfs/dbraw/zinc/78/90/67/1137789067.db2.gz JLUKMZVQJQTFHY-LBPRGKRZSA-N 1 2 334.370 3.521 20 0 EHADLO CC(C)(C)SCCCn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000881331929 1137805855 /nfs/dbraw/zinc/80/58/55/1137805855.db2.gz YEXRDEJLTKEHMR-UHFFFAOYSA-N 1 2 336.480 3.629 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000881562242 1137810124 /nfs/dbraw/zinc/81/01/24/1137810124.db2.gz XPHJYVMHMBZPRF-CYBMUJFWSA-N 1 2 335.835 3.591 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000881663356 1137813408 /nfs/dbraw/zinc/81/34/08/1137813408.db2.gz ZBVWNBRSFBQTJS-OAHLLOKOSA-N 1 2 331.847 3.790 20 0 EHADLO CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000881663356 1137813409 /nfs/dbraw/zinc/81/34/09/1137813409.db2.gz ZBVWNBRSFBQTJS-OAHLLOKOSA-N 1 2 331.847 3.790 20 0 EHADLO COc1cc(F)c(NCc2c[nH+]c(C)n2-c2ccccc2)cc1OC ZINC000129311397 1137817074 /nfs/dbraw/zinc/81/70/74/1137817074.db2.gz LHICXYYMIWTXEC-UHFFFAOYSA-N 1 2 341.386 3.949 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000888904109 1137820136 /nfs/dbraw/zinc/82/01/36/1137820136.db2.gz HXRIFRHPWYPXDE-GUDVDZBRSA-N 1 2 337.467 3.678 20 0 EHADLO Fc1ccc(OC2C[NH+](Cc3cccc4cccnc43)C2)cc1F ZINC001137176276 1137825036 /nfs/dbraw/zinc/82/50/36/1137825036.db2.gz ZVPWOODAODUPOW-UHFFFAOYSA-N 1 2 326.346 3.776 20 0 EHADLO CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000882837719 1137835670 /nfs/dbraw/zinc/83/56/70/1137835670.db2.gz OXFPCSBHPPWRNJ-SFHVURJKSA-N 1 2 326.444 3.599 20 0 EHADLO C[C@@H]1c2sccc2CCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000882912082 1137838047 /nfs/dbraw/zinc/83/80/47/1137838047.db2.gz KCWCJPYTGPIJHM-LLVKDONJSA-N 1 2 327.457 3.767 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000883259381 1137851008 /nfs/dbraw/zinc/85/10/08/1137851008.db2.gz KWGMMECGHNWCET-UHFFFAOYSA-N 1 2 336.867 3.764 20 0 EHADLO Fc1ccccc1-c1ncc(C[NH2+]C2(c3ncccn3)CCC2)s1 ZINC000883306569 1137853786 /nfs/dbraw/zinc/85/37/86/1137853786.db2.gz YINAUKFNGWFQMG-UHFFFAOYSA-N 1 2 340.427 3.908 20 0 EHADLO COc1ccc(NC(=O)C[C@H](C)Nc2c[nH+]c(C)c(C)c2)c(OC)c1 ZINC000883341396 1137855962 /nfs/dbraw/zinc/85/59/62/1137855962.db2.gz OZKCGJZOGNKIJA-ZDUSSCGKSA-N 1 2 343.427 3.545 20 0 EHADLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)c(Br)c1O ZINC000883341769 1137856037 /nfs/dbraw/zinc/85/60/37/1137856037.db2.gz ZFRNANQMLMZFBJ-UHFFFAOYSA-N 1 2 337.217 3.787 20 0 EHADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000883382872 1137858432 /nfs/dbraw/zinc/85/84/32/1137858432.db2.gz OOHRRCRACWDOHV-JKSUJKDBSA-N 1 2 335.220 3.959 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC[C@H]1F)OCO2 ZINC000883382940 1137858584 /nfs/dbraw/zinc/85/85/84/1137858584.db2.gz QMDLKRQSSHMMRR-BEFAXECRSA-N 1 2 329.371 3.539 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1=S ZINC000132335996 1137865378 /nfs/dbraw/zinc/86/53/78/1137865378.db2.gz VBWPJLVKOYHAST-INIZCTEOSA-N 1 2 348.491 3.794 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1=S ZINC000132335996 1137865379 /nfs/dbraw/zinc/86/53/79/1137865379.db2.gz VBWPJLVKOYHAST-INIZCTEOSA-N 1 2 348.491 3.794 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102692852 1137873766 /nfs/dbraw/zinc/87/37/66/1137873766.db2.gz FBIPXQUJWMXPHF-UHFFFAOYSA-N 1 2 333.844 3.660 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102692852 1137873767 /nfs/dbraw/zinc/87/37/67/1137873767.db2.gz FBIPXQUJWMXPHF-UHFFFAOYSA-N 1 2 333.844 3.660 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103311516 1137875990 /nfs/dbraw/zinc/87/59/90/1137875990.db2.gz QFMXRSSEJVPCNX-UHFFFAOYSA-N 1 2 340.471 3.727 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)N(Cc1ccco1)c1ccccc1 ZINC000104674723 1137879031 /nfs/dbraw/zinc/87/90/31/1137879031.db2.gz LNJPGINFUGRZFF-HXUWFJFHSA-N 1 2 349.434 3.978 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)N(Cc1ccco1)c1ccccc1 ZINC000104674723 1137879032 /nfs/dbraw/zinc/87/90/32/1137879032.db2.gz LNJPGINFUGRZFF-HXUWFJFHSA-N 1 2 349.434 3.978 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000348253182 1137881204 /nfs/dbraw/zinc/88/12/04/1137881204.db2.gz HNWNPYINCABBPV-CQSZACIVSA-N 1 2 327.453 3.768 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2cc(Br)cs2)c1 ZINC000106859904 1137884824 /nfs/dbraw/zinc/88/48/24/1137884824.db2.gz OVSMFUXPMXSFDC-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000106859904 1137884825 /nfs/dbraw/zinc/88/48/25/1137884825.db2.gz OVSMFUXPMXSFDC-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)CC1 ZINC000108397894 1137889592 /nfs/dbraw/zinc/88/95/92/1137889592.db2.gz POGRSJGUIFKFSU-MRXNPFEDSA-N 1 2 348.487 3.552 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)CC1 ZINC000108397894 1137889593 /nfs/dbraw/zinc/88/95/93/1137889593.db2.gz POGRSJGUIFKFSU-MRXNPFEDSA-N 1 2 348.487 3.552 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397890 1137892926 /nfs/dbraw/zinc/89/29/26/1137892926.db2.gz GPCDAAKHZWLGDO-CABZTGNLSA-N 1 2 341.242 3.634 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000331397890 1137892927 /nfs/dbraw/zinc/89/29/27/1137892927.db2.gz GPCDAAKHZWLGDO-CABZTGNLSA-N 1 2 341.242 3.634 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000111376873 1137904488 /nfs/dbraw/zinc/90/44/88/1137904488.db2.gz SGVUHBDXVAUXJJ-XQQFMLRXSA-N 1 2 349.475 3.761 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000348293220 1137907089 /nfs/dbraw/zinc/90/70/89/1137907089.db2.gz OLBMGRQLKWIXJJ-UUOWRZLLSA-N 1 2 340.448 3.551 20 0 EHADLO Cc1noc(CCC[N@@H+]2C[C@H](c3ccccc3Cl)OCC2(C)C)n1 ZINC000331503785 1137910768 /nfs/dbraw/zinc/91/07/68/1137910768.db2.gz ZUEDXUHKQSGQLD-MRXNPFEDSA-N 1 2 349.862 3.816 20 0 EHADLO Cc1noc(CCC[N@H+]2C[C@H](c3ccccc3Cl)OCC2(C)C)n1 ZINC000331503785 1137910769 /nfs/dbraw/zinc/91/07/69/1137910769.db2.gz ZUEDXUHKQSGQLD-MRXNPFEDSA-N 1 2 349.862 3.816 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2nccn2CC(F)(F)F)CC2CC2)c1 ZINC000112978513 1137911101 /nfs/dbraw/zinc/91/11/01/1137911101.db2.gz DNVHVHOQIUWQGG-UHFFFAOYSA-N 1 2 339.361 3.563 20 0 EHADLO Oc1cccc(C[N@H+](Cc2nccn2CC(F)(F)F)CC2CC2)c1 ZINC000112978513 1137911102 /nfs/dbraw/zinc/91/11/02/1137911102.db2.gz DNVHVHOQIUWQGG-UHFFFAOYSA-N 1 2 339.361 3.563 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670833 1137916552 /nfs/dbraw/zinc/91/65/52/1137916552.db2.gz OGUQACZGRBELDG-GXTWGEPZSA-N 1 2 334.851 3.619 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670833 1137916553 /nfs/dbraw/zinc/91/65/53/1137916553.db2.gz OGUQACZGRBELDG-GXTWGEPZSA-N 1 2 334.851 3.619 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000114750407 1137918723 /nfs/dbraw/zinc/91/87/23/1137918723.db2.gz LCGLBUVKZDYQAW-MNOVXSKESA-N 1 2 343.349 3.985 20 0 EHADLO OC1CC[NH+](c2ccc(NCC3=Cc4ccccc4OC3)cc2)CC1 ZINC000114762726 1137918954 /nfs/dbraw/zinc/91/89/54/1137918954.db2.gz KLUILFYKRYIROC-UHFFFAOYSA-N 1 2 336.435 3.536 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331925133 1137925771 /nfs/dbraw/zinc/92/57/71/1137925771.db2.gz OWSPXMZAUUTECS-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331925133 1137925772 /nfs/dbraw/zinc/92/57/72/1137925772.db2.gz OWSPXMZAUUTECS-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO Cn1c(COc2ccccc2)nn(C[NH+]2CCCCCCC2)c1=S ZINC000133956802 1137927148 /nfs/dbraw/zinc/92/71/48/1137927148.db2.gz QJETWKPICZIHNJ-UHFFFAOYSA-N 1 2 346.500 3.754 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)n1 ZINC000118849528 1137935868 /nfs/dbraw/zinc/93/58/68/1137935868.db2.gz KODDBSVPRKRRMV-UHFFFAOYSA-N 1 2 341.839 3.707 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccccc1OC(F)F ZINC000119529781 1137942521 /nfs/dbraw/zinc/94/25/21/1137942521.db2.gz PZIIFBXXMFIVAG-CYBMUJFWSA-N 1 2 339.338 3.909 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332455321 1137944373 /nfs/dbraw/zinc/94/43/73/1137944373.db2.gz UOQHXIHSBWTDKT-OAHLLOKOSA-N 1 2 341.459 3.666 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000016585337 1137945837 /nfs/dbraw/zinc/94/58/37/1137945837.db2.gz BXAFGIVMYZSRJF-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000016585337 1137945838 /nfs/dbraw/zinc/94/58/38/1137945838.db2.gz BXAFGIVMYZSRJF-NSHDSACASA-N 1 2 345.443 3.934 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2ncccn2)C1 ZINC000884712627 1137970578 /nfs/dbraw/zinc/97/05/78/1137970578.db2.gz WSERAMREZICYRW-HNNXBMFYSA-N 1 2 334.423 3.726 20 0 EHADLO C[C@H]1CC[C@H](c2nc(CC(=O)OCc3cc[nH+]c(N)c3)cs2)CC1 ZINC000884778531 1137973437 /nfs/dbraw/zinc/97/34/37/1137973437.db2.gz YODZWBLSOVCJDT-MQMHXKEQSA-N 1 2 345.468 3.700 20 0 EHADLO C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000885257037 1137993634 /nfs/dbraw/zinc/99/36/34/1137993634.db2.gz PQKICOGWLZMLAB-GOSISDBHSA-N 1 2 325.437 3.633 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc3cc(C)ccc3n1)CC2 ZINC001137218730 1138006903 /nfs/dbraw/zinc/00/69/03/1138006903.db2.gz KDSWGFCULZITNI-UHFFFAOYSA-N 1 2 346.430 3.888 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc3cc(C)ccc3n1)CC2 ZINC001137218730 1138006906 /nfs/dbraw/zinc/00/69/06/1138006906.db2.gz KDSWGFCULZITNI-UHFFFAOYSA-N 1 2 346.430 3.888 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC000885637515 1138013389 /nfs/dbraw/zinc/01/33/89/1138013389.db2.gz QFGCLSGQCAMDDZ-AWEZNQCLSA-N 1 2 344.434 3.602 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC000885637515 1138013391 /nfs/dbraw/zinc/01/33/91/1138013391.db2.gz QFGCLSGQCAMDDZ-AWEZNQCLSA-N 1 2 344.434 3.602 20 0 EHADLO COc1ccc(NC(=O)N[C@@H](C)c2c[nH+]c3c(C)cccn23)c(C)c1 ZINC001202733289 1138019083 /nfs/dbraw/zinc/01/90/83/1138019083.db2.gz LSDLIXBQZLLCNJ-AWEZNQCLSA-N 1 2 338.411 3.842 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000885994176 1138030933 /nfs/dbraw/zinc/03/09/33/1138030933.db2.gz DVBQBJUFDLMJIP-UHFFFAOYSA-N 1 2 337.471 3.865 20 0 EHADLO Clc1cccc2ccc(CN3CC[NH+](Cc4ccco4)CC3)nc12 ZINC001137224407 1138035881 /nfs/dbraw/zinc/03/58/81/1138035881.db2.gz HRQNRJGHKQCARN-UHFFFAOYSA-N 1 2 341.842 3.799 20 0 EHADLO Cc1coc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000886107226 1138047354 /nfs/dbraw/zinc/04/73/54/1138047354.db2.gz NKLYVLVBELILKY-ZDUSSCGKSA-N 1 2 326.165 3.713 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000886266860 1138062805 /nfs/dbraw/zinc/06/28/05/1138062805.db2.gz AKMKYXGOTHOVDD-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO Fc1c(Br)cccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886269328 1138062891 /nfs/dbraw/zinc/06/28/91/1138062891.db2.gz SFGZUBKQTQNAAK-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)c(F)cn1 ZINC000348378417 1138066932 /nfs/dbraw/zinc/06/69/32/1138066932.db2.gz GNEOBVSHZSLZNW-LBPRGKRZSA-N 1 2 333.407 3.652 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC001137228301 1138070717 /nfs/dbraw/zinc/07/07/17/1138070717.db2.gz NCUZXLAXSWAHDR-SJCJKPOMSA-N 1 2 334.847 3.908 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC001137228301 1138070719 /nfs/dbraw/zinc/07/07/19/1138070719.db2.gz NCUZXLAXSWAHDR-SJCJKPOMSA-N 1 2 334.847 3.908 20 0 EHADLO Cc1cc(C)c2cc(NCc3ncc(C4OCCO4)s3)ccc2[nH+]1 ZINC000886369719 1138071552 /nfs/dbraw/zinc/07/15/52/1138071552.db2.gz NKYGNKWHERCKOJ-UHFFFAOYSA-N 1 2 341.436 3.966 20 0 EHADLO Cc1cc(C)c2cc(NCc3cnc(N4CCCC4)nc3)ccc2[nH+]1 ZINC000886370149 1138071566 /nfs/dbraw/zinc/07/15/66/1138071566.db2.gz XNMWJFVBOVYEFK-UHFFFAOYSA-N 1 2 333.439 3.854 20 0 EHADLO Clc1ccc([C@H](c2ccccc2)[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886449983 1138079232 /nfs/dbraw/zinc/07/92/32/1138079232.db2.gz IQSZQAZYODKQPA-IBGZPJMESA-N 1 2 338.842 3.927 20 0 EHADLO Clc1ccc([C@H](c2ccccc2)[N@H+]2CCCn3nncc3C2)cc1 ZINC000886449983 1138079234 /nfs/dbraw/zinc/07/92/34/1138079234.db2.gz IQSZQAZYODKQPA-IBGZPJMESA-N 1 2 338.842 3.927 20 0 EHADLO CCCCOc1ccc(NC(=O)NCCCn2cc[nH+]c2)c(C)c1 ZINC000072004331 1138099909 /nfs/dbraw/zinc/09/99/09/1138099909.db2.gz XWOGURDVJMWAQU-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(O)c(Cl)c1 ZINC000072622455 1138106521 /nfs/dbraw/zinc/10/65/21/1138106521.db2.gz CJENTEGYKHFYLR-OAHLLOKOSA-N 1 2 348.830 3.596 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000886651799 1138107528 /nfs/dbraw/zinc/10/75/28/1138107528.db2.gz RLNKOHHTWJRGCW-UYHISHBKSA-N 1 2 328.387 3.544 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3cccnc3C(F)(F)F)CC2)[nH+]c1C ZINC000886659690 1138109644 /nfs/dbraw/zinc/10/96/44/1138109644.db2.gz SUNOASKFXFESQP-UHFFFAOYSA-N 1 2 338.377 3.820 20 0 EHADLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3)CC2)[nH]c1C ZINC000886670909 1138112126 /nfs/dbraw/zinc/11/21/26/1138112126.db2.gz YJNBWYXTNLWECR-INIZCTEOSA-N 1 2 340.471 3.542 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1nc2ccc(Cl)cc2n1C ZINC000886684830 1138115058 /nfs/dbraw/zinc/11/50/58/1138115058.db2.gz SZRZUGITJBXSNP-SNVBAGLBSA-N 1 2 330.819 3.943 20 0 EHADLO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886712453 1138122962 /nfs/dbraw/zinc/12/29/62/1138122962.db2.gz DQEZBDMSXGLCMT-QGZVFWFLSA-N 1 2 341.361 3.716 20 0 EHADLO CC1(C)C(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1(C)C ZINC001137230671 1138171912 /nfs/dbraw/zinc/17/19/12/1138171912.db2.gz FDGCFPNAOPRHOU-OAHLLOKOSA-N 1 2 334.891 3.855 20 0 EHADLO CC1(C)C(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1(C)C ZINC001137230671 1138171914 /nfs/dbraw/zinc/17/19/14/1138171914.db2.gz FDGCFPNAOPRHOU-OAHLLOKOSA-N 1 2 334.891 3.855 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3ncc(C(C)(C)C)o3)[nH+]c12 ZINC000085225748 1138183640 /nfs/dbraw/zinc/18/36/40/1138183640.db2.gz NOOPQSHPBVTWFX-RZFZLAGVSA-N 1 2 345.468 3.938 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCOCC1CC1 ZINC000088599074 1138194768 /nfs/dbraw/zinc/19/47/68/1138194768.db2.gz ZGLBNBHBJBISLE-ZDUSSCGKSA-N 1 2 349.862 3.733 20 0 EHADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCOCC1CC1 ZINC000088599074 1138194770 /nfs/dbraw/zinc/19/47/70/1138194770.db2.gz ZGLBNBHBJBISLE-ZDUSSCGKSA-N 1 2 349.862 3.733 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)o1 ZINC000091728171 1138221124 /nfs/dbraw/zinc/22/11/24/1138221124.db2.gz PGZGQTVRICUFNZ-GUYCJALGSA-N 1 2 342.443 3.540 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921140 1138223129 /nfs/dbraw/zinc/22/31/29/1138223129.db2.gz FQAHKHBCFXTJMH-ZVBIZFFVSA-N 1 2 347.455 3.725 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921140 1138223131 /nfs/dbraw/zinc/22/31/31/1138223131.db2.gz FQAHKHBCFXTJMH-ZVBIZFFVSA-N 1 2 347.455 3.725 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092225037 1138225990 /nfs/dbraw/zinc/22/59/90/1138225990.db2.gz WOFGIANJSJHVOZ-INIZCTEOSA-N 1 2 344.365 3.993 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092225037 1138225991 /nfs/dbraw/zinc/22/59/91/1138225991.db2.gz WOFGIANJSJHVOZ-INIZCTEOSA-N 1 2 344.365 3.993 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092728935 1138231114 /nfs/dbraw/zinc/23/11/14/1138231114.db2.gz XYFBCOFVOURJFE-IBGZPJMESA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092728935 1138231116 /nfs/dbraw/zinc/23/11/16/1138231116.db2.gz XYFBCOFVOURJFE-IBGZPJMESA-N 1 2 335.455 3.939 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)cn21 ZINC000093406564 1138237336 /nfs/dbraw/zinc/23/73/36/1138237336.db2.gz NFIRLUBXLCNXCZ-CYBMUJFWSA-N 1 2 326.469 3.829 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)ccc1Oc1cccnc1 ZINC000093810124 1138241343 /nfs/dbraw/zinc/24/13/43/1138241343.db2.gz QVPULXMUKLGOKJ-GOSISDBHSA-N 1 2 349.438 3.648 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)ccc1Oc1cccnc1 ZINC000093810124 1138241345 /nfs/dbraw/zinc/24/13/45/1138241345.db2.gz QVPULXMUKLGOKJ-GOSISDBHSA-N 1 2 349.438 3.648 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000122166738 1138255289 /nfs/dbraw/zinc/25/52/89/1138255289.db2.gz UKWMOGUPSVXTLT-SUNYJGFJSA-N 1 2 329.396 3.589 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000122166738 1138255291 /nfs/dbraw/zinc/25/52/91/1138255291.db2.gz UKWMOGUPSVXTLT-SUNYJGFJSA-N 1 2 329.396 3.589 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C(C1CC1)C1CC1 ZINC000122297212 1138256476 /nfs/dbraw/zinc/25/64/76/1138256476.db2.gz IIBQBPVEBJIDFC-UHFFFAOYSA-N 1 2 327.472 3.514 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000124117447 1138279709 /nfs/dbraw/zinc/27/97/09/1138279709.db2.gz WEYBUQJEOFDPDF-UHFFFAOYSA-N 1 2 340.399 3.752 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000333370654 1138282265 /nfs/dbraw/zinc/28/22/65/1138282265.db2.gz WDEIIFODHTVZPB-BRWVUGGUSA-N 1 2 346.519 3.914 20 0 EHADLO Cc1noc(C)c1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333385303 1138283950 /nfs/dbraw/zinc/28/39/50/1138283950.db2.gz BNUOEHIRLOJCIJ-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000348419358 1138297026 /nfs/dbraw/zinc/29/70/26/1138297026.db2.gz VXVFTJJSHCBTAV-MRXNPFEDSA-N 1 2 349.862 3.839 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c(C)c1C ZINC000125604732 1138312960 /nfs/dbraw/zinc/31/29/60/1138312960.db2.gz BRRAZLAIMZMBDW-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c(C)c1C ZINC000125604732 1138312965 /nfs/dbraw/zinc/31/29/65/1138312965.db2.gz BRRAZLAIMZMBDW-MRXNPFEDSA-N 1 2 329.469 3.844 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127183644 1138349046 /nfs/dbraw/zinc/34/90/46/1138349046.db2.gz JMGCRUZSLVSAOW-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000127183644 1138349048 /nfs/dbraw/zinc/34/90/48/1138349048.db2.gz JMGCRUZSLVSAOW-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000127253360 1138351341 /nfs/dbraw/zinc/35/13/41/1138351341.db2.gz QOOSIGDPMCJCGR-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127326247 1138354007 /nfs/dbraw/zinc/35/40/07/1138354007.db2.gz FJHGZOXJMIOUNO-GFCCVEGCSA-N 1 2 337.876 3.681 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127326247 1138354008 /nfs/dbraw/zinc/35/40/08/1138354008.db2.gz FJHGZOXJMIOUNO-GFCCVEGCSA-N 1 2 337.876 3.681 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127402954 1138356335 /nfs/dbraw/zinc/35/63/35/1138356335.db2.gz FNOFPYCSGMORRN-CJNGLKHVSA-N 1 2 332.835 3.960 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000263774767 1138362906 /nfs/dbraw/zinc/36/29/06/1138362906.db2.gz UEPVCGKAGWBHHG-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000263774767 1138362911 /nfs/dbraw/zinc/36/29/11/1138362911.db2.gz UEPVCGKAGWBHHG-UHFFFAOYSA-N 1 2 343.408 3.549 20 0 EHADLO O=C(c1csc(C2CCCCC2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334046629 1138364776 /nfs/dbraw/zinc/36/47/76/1138364776.db2.gz QFZONNRZOHWECG-AWEZNQCLSA-N 1 2 344.484 3.934 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C)C[C@@H](C)O1 ZINC000263810820 1138371986 /nfs/dbraw/zinc/37/19/86/1138371986.db2.gz WSHCLJMSCFESSZ-HZPDHXFCSA-N 1 2 347.503 3.806 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1F ZINC000263821416 1138374697 /nfs/dbraw/zinc/37/46/97/1138374697.db2.gz YBGGOZABCOILDT-HNNXBMFYSA-N 1 2 341.430 3.631 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263853609 1138381014 /nfs/dbraw/zinc/38/10/14/1138381014.db2.gz STOURSDXAVZOQX-KRWDZBQOSA-N 1 2 326.444 3.696 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000128262806 1138384467 /nfs/dbraw/zinc/38/44/67/1138384467.db2.gz BBRIMXWZCQRHQX-FQEVSTJZSA-N 1 2 345.446 3.636 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128653876 1138394903 /nfs/dbraw/zinc/39/49/03/1138394903.db2.gz RAHUWJJVSRMJJT-CZUORRHYSA-N 1 2 346.406 3.536 20 0 EHADLO Cc1cccc(OCCCC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000264084444 1138416074 /nfs/dbraw/zinc/41/60/74/1138416074.db2.gz JLQCBJRTUAXGRW-UHFFFAOYSA-N 1 2 341.455 3.558 20 0 EHADLO CC(C)(CNC(=O)CCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000264203584 1138442438 /nfs/dbraw/zinc/44/24/38/1138442438.db2.gz RMGQOMOLNDFNRR-UHFFFAOYSA-N 1 2 340.254 3.674 20 0 EHADLO CCC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264249173 1138454434 /nfs/dbraw/zinc/45/44/34/1138454434.db2.gz OWDMGLJSBWRVPX-INIZCTEOSA-N 1 2 345.487 3.734 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)CC2CCCC2)c1)[NH+]1CCOCC1 ZINC000264265118 1138458629 /nfs/dbraw/zinc/45/86/29/1138458629.db2.gz SQDIPYHVYVKTAM-MRXNPFEDSA-N 1 2 345.487 3.734 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)Cc2csc(CC(=O)N(C)C)n2)c(C)c1 ZINC000264283010 1138463721 /nfs/dbraw/zinc/46/37/21/1138463721.db2.gz PHKLQMCQAMBLQY-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2csc(CC(=O)N(C)C)n2)c(C)c1 ZINC000264283010 1138463722 /nfs/dbraw/zinc/46/37/22/1138463722.db2.gz PHKLQMCQAMBLQY-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)s1 ZINC000130594110 1138464051 /nfs/dbraw/zinc/46/40/51/1138464051.db2.gz NEKGXBARGFDYLB-LLVKDONJSA-N 1 2 333.457 3.523 20 0 EHADLO C[C@H]1C[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[C@@H](C)C1 ZINC000337129622 1138473944 /nfs/dbraw/zinc/47/39/44/1138473944.db2.gz AQCKUGZFTLCLIV-XWTMOSNGSA-N 1 2 343.515 3.998 20 0 EHADLO COc1cccc(C2(F)CC[NH+](CC(=O)c3cc(C)[nH]c3C)CC2)c1 ZINC000337254086 1138509946 /nfs/dbraw/zinc/50/99/46/1138509946.db2.gz QKSSGPZKTWPPLB-UHFFFAOYSA-N 1 2 344.430 3.784 20 0 EHADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000337355324 1138542369 /nfs/dbraw/zinc/54/23/69/1138542369.db2.gz DQXXMCBMZDDFOG-LLVKDONJSA-N 1 2 342.468 3.995 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000337365738 1138545910 /nfs/dbraw/zinc/54/59/10/1138545910.db2.gz OJXRXRHMPDBGOR-INIZCTEOSA-N 1 2 326.444 3.561 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264535309 1138550674 /nfs/dbraw/zinc/55/06/74/1138550674.db2.gz OVFZFAPRVFPSDD-HZPDHXFCSA-N 1 2 326.444 3.677 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(CC2CCCCC2)CC1 ZINC000887623374 1138563930 /nfs/dbraw/zinc/56/39/30/1138563930.db2.gz FFUACJSRECLINW-QZTJIDSGSA-N 1 2 329.488 3.733 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C2C[C@H]3CC[C@@H](C2)S3)[nH+]1 ZINC000887626198 1138569731 /nfs/dbraw/zinc/56/97/31/1138569731.db2.gz QCBHPHYLUCXFIJ-ZNXRZULTSA-N 1 2 349.496 3.557 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000337490719 1138585250 /nfs/dbraw/zinc/58/52/50/1138585250.db2.gz DWEHQKAIORFMRP-KIWPFMIBSA-N 1 2 336.361 3.777 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000337490719 1138585252 /nfs/dbraw/zinc/58/52/52/1138585252.db2.gz DWEHQKAIORFMRP-KIWPFMIBSA-N 1 2 336.361 3.777 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000337523738 1138594259 /nfs/dbraw/zinc/59/42/59/1138594259.db2.gz WXOQYSRSFLJPPB-GOSISDBHSA-N 1 2 340.471 3.970 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3nc(CCC(C)C)no3)CC2)cs1 ZINC000264667510 1138597057 /nfs/dbraw/zinc/59/70/57/1138597057.db2.gz WFCXFKNAEKHSEZ-UHFFFAOYSA-N 1 2 334.489 3.803 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1[nH+]cnc2c1cnn2C ZINC000337643778 1138631333 /nfs/dbraw/zinc/63/13/33/1138631333.db2.gz GNUSMLXHBVUGNK-VIFPVBQESA-N 1 2 336.226 3.713 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337669813 1138639522 /nfs/dbraw/zinc/63/95/22/1138639522.db2.gz VNQGNIPUROKRSG-YVWKXTFCSA-N 1 2 349.478 3.544 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337673742 1138640229 /nfs/dbraw/zinc/64/02/29/1138640229.db2.gz KRUIDZZMPWIWNG-KUHUBIRLSA-N 1 2 349.434 3.642 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337673742 1138640231 /nfs/dbraw/zinc/64/02/31/1138640231.db2.gz KRUIDZZMPWIWNG-KUHUBIRLSA-N 1 2 349.434 3.642 20 0 EHADLO CC[C@@](C)([NH2+]CC(=O)Nc1c(C)cccc1Cl)c1nccs1 ZINC000133562893 1138644724 /nfs/dbraw/zinc/64/47/24/1138644724.db2.gz CNAYSXWESBUWPV-MRXNPFEDSA-N 1 2 337.876 3.958 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2ccsc2Br)n1 ZINC000337846971 1138681283 /nfs/dbraw/zinc/68/12/83/1138681283.db2.gz IDELHIAORZWOQQ-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO Cc1c(CNC(=O)CCn2cc[nH+]c2)sc2ccc(Cl)cc12 ZINC000337894693 1138693015 /nfs/dbraw/zinc/69/30/15/1138693015.db2.gz CHVIVFBCBREIOS-UHFFFAOYSA-N 1 2 333.844 3.766 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccc(F)c2F)CCCC1 ZINC000337945806 1138703808 /nfs/dbraw/zinc/70/38/08/1138703808.db2.gz MKYGNZIZWROMSQ-UHFFFAOYSA-N 1 2 343.381 3.565 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338256142 1138803366 /nfs/dbraw/zinc/80/33/66/1138803366.db2.gz JPMAUEVHMNGUHM-INIZCTEOSA-N 1 2 335.234 3.780 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC000338259231 1138803899 /nfs/dbraw/zinc/80/38/99/1138803899.db2.gz SFILMOHDKWXJAA-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccsc1 ZINC000338261561 1138804747 /nfs/dbraw/zinc/80/47/47/1138804747.db2.gz NQGFRFVPSMUGQB-WBMJQRKESA-N 1 2 334.872 3.678 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338259959 1138804948 /nfs/dbraw/zinc/80/49/48/1138804948.db2.gz CUOVRRDYCSAKRO-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000136591507 1138805053 /nfs/dbraw/zinc/80/50/53/1138805053.db2.gz GJOZVBLQYHLTDB-SNVBAGLBSA-N 1 2 338.502 3.529 20 0 EHADLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000136591507 1138805057 /nfs/dbraw/zinc/80/50/57/1138805057.db2.gz GJOZVBLQYHLTDB-SNVBAGLBSA-N 1 2 338.502 3.529 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(C)n1C ZINC000338395913 1138886404 /nfs/dbraw/zinc/88/64/04/1138886404.db2.gz QAYMNWNAHIBKOV-UHFFFAOYSA-N 1 2 328.803 3.733 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000338395253 1138887213 /nfs/dbraw/zinc/88/72/13/1138887213.db2.gz JPBYJVORTODJGB-QRQLOZEOSA-N 1 2 347.503 3.524 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3ccccc3F)CC2)c1C ZINC000265445961 1138900505 /nfs/dbraw/zinc/90/05/05/1138900505.db2.gz BNMVXIACXRSRQO-UHFFFAOYSA-N 1 2 342.414 3.536 20 0 EHADLO CCS(=O)(=O)CC[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000265465320 1138910889 /nfs/dbraw/zinc/91/08/89/1138910889.db2.gz HQVSBQZABOOYGG-OAHLLOKOSA-N 1 2 337.510 3.746 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000265465320 1138910894 /nfs/dbraw/zinc/91/08/94/1138910894.db2.gz HQVSBQZABOOYGG-OAHLLOKOSA-N 1 2 337.510 3.746 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000142246579 1138959812 /nfs/dbraw/zinc/95/98/12/1138959812.db2.gz GWWGVFVIOZWOLY-CQSZACIVSA-N 1 2 339.464 3.748 20 0 EHADLO Cc1nocc1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000888029726 1139049729 /nfs/dbraw/zinc/04/97/29/1139049729.db2.gz JCIINBHEOHTNOT-UHFFFAOYSA-N 1 2 337.383 3.827 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)oc1C ZINC000152521194 1139095619 /nfs/dbraw/zinc/09/56/19/1139095619.db2.gz PNKNWPIRTSGSTI-GOSISDBHSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1cccc(NC2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)c1 ZINC000152968605 1139116820 /nfs/dbraw/zinc/11/68/20/1139116820.db2.gz PRLKXGBGMOWGJL-CQSZACIVSA-N 1 2 326.444 3.893 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153444776 1139136914 /nfs/dbraw/zinc/13/69/14/1139136914.db2.gz WALXYRHRTKAWDV-LLVKDONJSA-N 1 2 331.803 3.657 20 0 EHADLO O=C(CCCc1ccc(C2CC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000889683919 1139253779 /nfs/dbraw/zinc/25/37/79/1139253779.db2.gz HQXZAWSFQONMER-FQEVSTJZSA-N 1 2 349.478 3.677 20 0 EHADLO Cc1cc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)ccc1N1CCCC1 ZINC000826657683 1139262790 /nfs/dbraw/zinc/26/27/90/1139262790.db2.gz YMNFXQUWQLTJQL-SFHVURJKSA-N 1 2 345.393 3.512 20 0 EHADLO CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000890250371 1139330828 /nfs/dbraw/zinc/33/08/28/1139330828.db2.gz GDAMCGLJYMAEGZ-ROUUACIJSA-N 1 2 340.471 3.845 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000890393269 1139352759 /nfs/dbraw/zinc/35/27/59/1139352759.db2.gz HIDTZDRMVFRFMU-GOSISDBHSA-N 1 2 340.471 3.566 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000890393269 1139352764 /nfs/dbraw/zinc/35/27/64/1139352764.db2.gz HIDTZDRMVFRFMU-GOSISDBHSA-N 1 2 340.471 3.566 20 0 EHADLO Cc1ccc(C)c(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001202768131 1139445361 /nfs/dbraw/zinc/44/53/61/1139445361.db2.gz VTNRZJCCQDQENI-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(C(F)F)c1Cl ZINC000350830252 1139452004 /nfs/dbraw/zinc/45/20/04/1139452004.db2.gz ORFUPBMPCAAQMZ-UHFFFAOYSA-N 1 2 340.761 3.906 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)Nc1nccs1 ZINC000175024474 1139458436 /nfs/dbraw/zinc/45/84/36/1139458436.db2.gz PVIKPQNWZAPVOT-RKDXNWHRSA-N 1 2 327.812 3.613 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000175248879 1139475575 /nfs/dbraw/zinc/47/55/75/1139475575.db2.gz FHORNJGTOAETNL-OLZOCXBDSA-N 1 2 340.452 3.678 20 0 EHADLO CCC[C@@H](CC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176004641 1139533970 /nfs/dbraw/zinc/53/39/70/1139533970.db2.gz AYAXERWVKKCNSW-GOSISDBHSA-N 1 2 346.519 3.908 20 0 EHADLO CC1(O)CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000177300462 1139611458 /nfs/dbraw/zinc/61/14/58/1139611458.db2.gz XTSYWEQIITURES-UHFFFAOYSA-N 1 2 336.888 3.734 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000177404480 1139617578 /nfs/dbraw/zinc/61/75/78/1139617578.db2.gz LGJNRNNHLKMZJY-SFHVURJKSA-N 1 2 346.496 3.969 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000177404480 1139617582 /nfs/dbraw/zinc/61/75/82/1139617582.db2.gz LGJNRNNHLKMZJY-SFHVURJKSA-N 1 2 346.496 3.969 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc3scnc3c2)C[C@H]1n1cc[nH+]c1 ZINC000177606548 1139628819 /nfs/dbraw/zinc/62/88/19/1139628819.db2.gz KHJTUFRLZHHLTP-IUODEOHRSA-N 1 2 341.440 3.608 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)n1 ZINC000177675217 1139632976 /nfs/dbraw/zinc/63/29/76/1139632976.db2.gz WXGCWPNWZBESGO-AWEZNQCLSA-N 1 2 347.459 3.837 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178207550 1139679391 /nfs/dbraw/zinc/67/93/91/1139679391.db2.gz ISZMCYUGDRXZON-UHFFFAOYSA-N 1 2 338.411 3.833 20 0 EHADLO CC1(c2ccccc2)CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000178986734 1139728910 /nfs/dbraw/zinc/72/89/10/1139728910.db2.gz YBMREHBRFFAEHQ-UHFFFAOYSA-N 1 2 337.389 3.999 20 0 EHADLO COc1sc(C[N@H+](C)Cc2cnc(C)s2)cc1Br ZINC000179381576 1139752714 /nfs/dbraw/zinc/75/27/14/1139752714.db2.gz HAFFJYOGBKCABB-UHFFFAOYSA-N 1 2 347.303 3.916 20 0 EHADLO COc1sc(C[N@@H+](C)Cc2cnc(C)s2)cc1Br ZINC000179381576 1139752722 /nfs/dbraw/zinc/75/27/22/1139752722.db2.gz HAFFJYOGBKCABB-UHFFFAOYSA-N 1 2 347.303 3.916 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OC(F)F)c1 ZINC000179595670 1139767279 /nfs/dbraw/zinc/76/72/79/1139767279.db2.gz BQMDQCVPJSXUNL-SNVBAGLBSA-N 1 2 335.310 3.782 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000179725894 1139778519 /nfs/dbraw/zinc/77/85/19/1139778519.db2.gz CJYDSMAVNWFKPZ-CQSZACIVSA-N 1 2 338.402 3.839 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cccc3nccn32)C1 ZINC000180339719 1139827075 /nfs/dbraw/zinc/82/70/75/1139827075.db2.gz BKUZUTDSXUCUMN-UHFFFAOYSA-N 1 2 337.267 3.651 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000180339719 1139827080 /nfs/dbraw/zinc/82/70/80/1139827080.db2.gz BKUZUTDSXUCUMN-UHFFFAOYSA-N 1 2 337.267 3.651 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000180420656 1139833718 /nfs/dbraw/zinc/83/37/18/1139833718.db2.gz MNGWRRGSOKRNJA-UHFFFAOYSA-N 1 2 343.475 3.570 20 0 EHADLO CCOc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)o1 ZINC000180432298 1139834715 /nfs/dbraw/zinc/83/47/15/1139834715.db2.gz AOEKPPADZFUJBV-UHFFFAOYSA-N 1 2 330.413 3.514 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180826770 1139865196 /nfs/dbraw/zinc/86/51/96/1139865196.db2.gz YTCHLIURMSEILU-DLBZAZTESA-N 1 2 331.504 3.829 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCO[C@@H](C)C2)on1 ZINC000180890475 1139871203 /nfs/dbraw/zinc/87/12/03/1139871203.db2.gz XXPOWUULLMDFJS-AWEZNQCLSA-N 1 2 338.407 3.724 20 0 EHADLO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCO[C@@H](C)C2)on1 ZINC000180890475 1139871210 /nfs/dbraw/zinc/87/12/10/1139871210.db2.gz XXPOWUULLMDFJS-AWEZNQCLSA-N 1 2 338.407 3.724 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000180965817 1139875254 /nfs/dbraw/zinc/87/52/54/1139875254.db2.gz ZCXXOADWPWHWTJ-LLVKDONJSA-N 1 2 343.349 3.985 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC000181791659 1139931049 /nfs/dbraw/zinc/93/10/49/1139931049.db2.gz MKKNCXXDGZEBNW-CQSZACIVSA-N 1 2 336.414 3.746 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2coc(-c3cccs3)n2)cc1 ZINC000181968459 1139942737 /nfs/dbraw/zinc/94/27/37/1139942737.db2.gz SEXOLNDQEUVLGZ-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2coc(-c3cccs3)n2)cc1 ZINC000181968459 1139942742 /nfs/dbraw/zinc/94/27/42/1139942742.db2.gz SEXOLNDQEUVLGZ-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)n1 ZINC000182856589 1139997774 /nfs/dbraw/zinc/99/77/74/1139997774.db2.gz OHRCIGLEFVMNQT-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)n1 ZINC000182856589 1139997777 /nfs/dbraw/zinc/99/77/77/1139997777.db2.gz OHRCIGLEFVMNQT-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO CC(C)Cn1ncnc1C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000183105401 1140013393 /nfs/dbraw/zinc/01/33/93/1140013393.db2.gz QJIIXWKLJLZTSI-UHFFFAOYSA-N 1 2 334.467 3.987 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000184527196 1140107548 /nfs/dbraw/zinc/10/75/48/1140107548.db2.gz WFDZHKXSLYWLIS-KDOFPFPSSA-N 1 2 338.407 3.737 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000184548498 1140108723 /nfs/dbraw/zinc/10/87/23/1140108723.db2.gz DLCNBVZVNQKPCW-ZDUSSCGKSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccco1 ZINC000184615649 1140111632 /nfs/dbraw/zinc/11/16/32/1140111632.db2.gz KXOIAHFYRXADRS-INIZCTEOSA-N 1 2 330.428 3.627 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cs1 ZINC000184738100 1140118265 /nfs/dbraw/zinc/11/82/65/1140118265.db2.gz ZWXSKHNWCWWFGX-SECBINFHSA-N 1 2 341.839 3.787 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C)c1ccc(C)o1 ZINC000184761599 1140119573 /nfs/dbraw/zinc/11/95/73/1140119573.db2.gz JKBQLJNRBJFKSA-WBVHZDCISA-N 1 2 330.428 3.509 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)o1 ZINC000184775715 1140119812 /nfs/dbraw/zinc/11/98/12/1140119812.db2.gz HGHADYCFABUENS-QAPCUYQASA-N 1 2 344.455 3.763 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000185699927 1140164262 /nfs/dbraw/zinc/16/42/62/1140164262.db2.gz XVBQPRRMHLAQDT-CJNGLKHVSA-N 1 2 348.397 3.613 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000186435653 1140204305 /nfs/dbraw/zinc/20/43/05/1140204305.db2.gz HNXDWCQPEYMEBI-KRWDZBQOSA-N 1 2 340.402 3.764 20 0 EHADLO c1csc([C@H]2CSCCN2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000186658678 1140215770 /nfs/dbraw/zinc/21/57/70/1140215770.db2.gz CMFDPQDKAIBNMA-MRXNPFEDSA-N 1 2 342.493 3.619 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187804616 1140272818 /nfs/dbraw/zinc/27/28/18/1140272818.db2.gz QYWUNZVHYWXBQJ-JLSDUUJJSA-N 1 2 331.435 3.823 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000187946309 1140277888 /nfs/dbraw/zinc/27/78/88/1140277888.db2.gz YJBSWJXEDDCXJL-UHFFFAOYSA-N 1 2 339.863 3.509 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000187946309 1140277891 /nfs/dbraw/zinc/27/78/91/1140277891.db2.gz YJBSWJXEDDCXJL-UHFFFAOYSA-N 1 2 339.863 3.509 20 0 EHADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1F ZINC000188479282 1140298174 /nfs/dbraw/zinc/29/81/74/1140298174.db2.gz VRUNPMXNEKCVNH-HZMBPMFUSA-N 1 2 342.208 3.956 20 0 EHADLO C[C@@H]1C[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000189132701 1140323104 /nfs/dbraw/zinc/32/31/04/1140323104.db2.gz DKKMOCYYZDPVJQ-XHBKTUGNSA-N 1 2 331.847 3.520 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1nc(C2CC2)no1 ZINC000191044515 1140432690 /nfs/dbraw/zinc/43/26/90/1140432690.db2.gz CLARWURCYFVTIV-QGZVFWFLSA-N 1 2 343.475 3.674 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000192100445 1140503254 /nfs/dbraw/zinc/50/32/54/1140503254.db2.gz APOMMDPHQYLVOE-DZGCQCFKSA-N 1 2 339.798 3.605 20 0 EHADLO CC(C)[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc(Cl)cc1F ZINC000192172897 1140508366 /nfs/dbraw/zinc/50/83/66/1140508366.db2.gz UKYDUNXJKVOURN-MEBBXXQBSA-N 1 2 337.830 3.848 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)CC1CCC1 ZINC000193217190 1140567735 /nfs/dbraw/zinc/56/77/35/1140567735.db2.gz PJVLYQSDMSXHQV-UHFFFAOYSA-N 1 2 344.484 3.801 20 0 EHADLO CC(C)[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)CC1CCC1 ZINC000193217190 1140567738 /nfs/dbraw/zinc/56/77/38/1140567738.db2.gz PJVLYQSDMSXHQV-UHFFFAOYSA-N 1 2 344.484 3.801 20 0 EHADLO CC(C)c1ccc(OCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195006380 1140627712 /nfs/dbraw/zinc/62/77/12/1140627712.db2.gz NYMOTHBDZVQWKE-IBGZPJMESA-N 1 2 336.439 3.686 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000266708335 1140718471 /nfs/dbraw/zinc/71/84/71/1140718471.db2.gz GXNVRWUANPMCAT-HOCLYGCPSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000266708335 1140718476 /nfs/dbraw/zinc/71/84/76/1140718476.db2.gz GXNVRWUANPMCAT-HOCLYGCPSA-N 1 2 347.434 3.932 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000266939487 1140741068 /nfs/dbraw/zinc/74/10/68/1140741068.db2.gz QEVOPPGJSIXHTJ-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000266993244 1140748189 /nfs/dbraw/zinc/74/81/89/1140748189.db2.gz YSTGFDSHQKLIIX-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO CCOC[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000267035534 1140752537 /nfs/dbraw/zinc/75/25/37/1140752537.db2.gz BRTRSAWARRAGHC-GFCCVEGCSA-N 1 2 335.245 3.860 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000267281270 1140774876 /nfs/dbraw/zinc/77/48/76/1140774876.db2.gz SDSJHSMHSVHWMC-QZTJIDSGSA-N 1 2 343.496 3.726 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267662437 1140817861 /nfs/dbraw/zinc/81/78/61/1140817861.db2.gz KHTMTXBKDNYGAQ-LAUBAEHRSA-N 1 2 345.446 3.950 20 0 EHADLO C[C@@H]1CCCCN1C(=O)c1ccc(NCc2c[nH+]cn2C)cc1Cl ZINC000268447459 1140941043 /nfs/dbraw/zinc/94/10/43/1140941043.db2.gz LUNQIWDUEVFVDB-CYBMUJFWSA-N 1 2 346.862 3.700 20 0 EHADLO CC(=O)c1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000268775938 1140989566 /nfs/dbraw/zinc/98/95/66/1140989566.db2.gz NPYRGFGHCIRXDT-UHFFFAOYSA-N 1 2 343.452 3.584 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1OCc1ccccc1)c1nncn1C ZINC000268926303 1141027070 /nfs/dbraw/zinc/02/70/70/1141027070.db2.gz RRUAHJXYXNMJDN-JKSUJKDBSA-N 1 2 336.439 3.806 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269411510 1141105938 /nfs/dbraw/zinc/10/59/38/1141105938.db2.gz FJRGPCABNOKBFN-WBVHZDCISA-N 1 2 343.496 3.685 20 0 EHADLO CC(C)(O)COc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000269452319 1141111117 /nfs/dbraw/zinc/11/11/17/1141111117.db2.gz LMKBNESJUBPCSM-UHFFFAOYSA-N 1 2 337.423 3.634 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ncc(Br)s1 ZINC000270291019 1141202437 /nfs/dbraw/zinc/20/24/37/1141202437.db2.gz ZRVWCBAXNDECSR-KWQFWETISA-N 1 2 339.258 3.949 20 0 EHADLO COCC[N@H+](Cc1cc[nH]n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000271070636 1141304710 /nfs/dbraw/zinc/30/47/10/1141304710.db2.gz MONDNSJNIIZOPT-LBPRGKRZSA-N 1 2 327.350 3.638 20 0 EHADLO COCC[N@@H+](Cc1cc[nH]n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000271070636 1141304716 /nfs/dbraw/zinc/30/47/16/1141304716.db2.gz MONDNSJNIIZOPT-LBPRGKRZSA-N 1 2 327.350 3.638 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000271111387 1141308261 /nfs/dbraw/zinc/30/82/61/1141308261.db2.gz BKKREJVLIWCPMC-IKGGRYGDSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000271118222 1141309812 /nfs/dbraw/zinc/30/98/12/1141309812.db2.gz KIKWJWXIEILAFR-MJGOQNOKSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000271118222 1141309817 /nfs/dbraw/zinc/30/98/17/1141309817.db2.gz KIKWJWXIEILAFR-MJGOQNOKSA-N 1 2 344.405 3.757 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271292871 1141341322 /nfs/dbraw/zinc/34/13/22/1141341322.db2.gz COPRAVWOTITOFM-INIZCTEOSA-N 1 2 346.434 3.708 20 0 EHADLO CC[C@H]1CC[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000271398137 1141357458 /nfs/dbraw/zinc/35/74/58/1141357458.db2.gz LAWFUWKCSWWPFA-RDJZCZTQSA-N 1 2 330.476 3.544 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271647637 1141411861 /nfs/dbraw/zinc/41/18/61/1141411861.db2.gz DNBDKTXAUXOPIT-CHWSQXEVSA-N 1 2 348.393 3.501 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)ccc1OC(F)F ZINC000274208903 1141485752 /nfs/dbraw/zinc/48/57/52/1141485752.db2.gz MMPWQLSYBDVAAP-DTWKUNHWSA-N 1 2 343.399 3.868 20 0 EHADLO Cc1nc2ccccc2cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339132799 1141505402 /nfs/dbraw/zinc/50/54/02/1141505402.db2.gz KYYNDTPBNAYQLE-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339173815 1141518240 /nfs/dbraw/zinc/51/82/40/1141518240.db2.gz SDGYOQAONDMCHF-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccncc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339173815 1141518242 /nfs/dbraw/zinc/51/82/42/1141518242.db2.gz SDGYOQAONDMCHF-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc4ncccc4c3)ccc2[nH+]1 ZINC000348788211 1141580111 /nfs/dbraw/zinc/58/01/11/1141580111.db2.gz WXMVPRRFCYMVDQ-UHFFFAOYSA-N 1 2 331.379 3.513 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842873 1141594404 /nfs/dbraw/zinc/59/44/04/1141594404.db2.gz MBEXDPNVTFCXNQ-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348842873 1141594410 /nfs/dbraw/zinc/59/44/10/1141594410.db2.gz MBEXDPNVTFCXNQ-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)n1 ZINC000348851240 1141596897 /nfs/dbraw/zinc/59/68/97/1141596897.db2.gz YMEIFSWAHSSQAZ-OAHLLOKOSA-N 1 2 337.370 3.749 20 0 EHADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)n1 ZINC000348851240 1141596901 /nfs/dbraw/zinc/59/69/01/1141596901.db2.gz YMEIFSWAHSSQAZ-OAHLLOKOSA-N 1 2 337.370 3.749 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1OC ZINC000348868840 1141600409 /nfs/dbraw/zinc/60/04/09/1141600409.db2.gz LHIJCYRNJIPJDO-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCCOc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1OC ZINC000348868840 1141600411 /nfs/dbraw/zinc/60/04/11/1141600411.db2.gz LHIJCYRNJIPJDO-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO O=C(/C=C/c1ccncc1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054674983 214249856 /nfs/dbraw/zinc/24/98/56/214249856.db2.gz AKTWYOWHGGQXMF-RUDMXATFSA-N 1 2 344.418 3.933 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000069221765 215371243 /nfs/dbraw/zinc/37/12/43/215371243.db2.gz WZSXPJAWNZPXIM-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000069221765 215371247 /nfs/dbraw/zinc/37/12/47/215371247.db2.gz WZSXPJAWNZPXIM-AWEZNQCLSA-N 1 2 339.867 3.614 20 0 EHADLO Nc1cccc2c1CC[N@H+](Cc1ccc(F)cc1Br)C2 ZINC000038032891 213194075 /nfs/dbraw/zinc/19/40/75/213194075.db2.gz NWAIGHOLBAMOFN-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1Br)C2 ZINC000038032891 213194078 /nfs/dbraw/zinc/19/40/78/213194078.db2.gz NWAIGHOLBAMOFN-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000079391088 217218848 /nfs/dbraw/zinc/21/88/48/217218848.db2.gz ICJMGENBSPMQBK-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO CCC(=O)N1CCC[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000079391088 217218851 /nfs/dbraw/zinc/21/88/51/217218851.db2.gz ICJMGENBSPMQBK-GFCCVEGCSA-N 1 2 329.271 3.999 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c(C)[nH+]1 ZINC000097263061 219007584 /nfs/dbraw/zinc/00/75/84/219007584.db2.gz CAKYEFROCWWLMB-DIFFPNOSSA-N 1 2 337.423 3.854 20 0 EHADLO CCN(CC)c1ccc(CNC(=O)c2ccc(SC)cc2)c[nH+]1 ZINC000097359170 219014994 /nfs/dbraw/zinc/01/49/94/219014994.db2.gz DQVFQWPQZIMWJV-UHFFFAOYSA-N 1 2 329.469 3.580 20 0 EHADLO CN(C)[C@@H](CNc1[nH+]c2ccccc2n1C)c1c(F)cccc1F ZINC000536503062 478252908 /nfs/dbraw/zinc/25/29/08/478252908.db2.gz VFYQYTGYNVYKRN-INIZCTEOSA-N 1 2 330.382 3.566 20 0 EHADLO CC(C)c1nc2[nH]ccc2c(NCc2ccc(C[S@](C)=O)cc2)[nH+]1 ZINC000601163897 478699202 /nfs/dbraw/zinc/69/92/02/478699202.db2.gz SLJWPKWDWMHSGW-XMMPIXPASA-N 1 2 342.468 3.572 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789131 600285125 /nfs/dbraw/zinc/28/51/25/600285125.db2.gz KBRBLCYGEFQHNE-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789131 600285126 /nfs/dbraw/zinc/28/51/26/600285126.db2.gz KBRBLCYGEFQHNE-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789131 600285127 /nfs/dbraw/zinc/28/51/27/600285127.db2.gz KBRBLCYGEFQHNE-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789131 600285128 /nfs/dbraw/zinc/28/51/28/600285128.db2.gz KBRBLCYGEFQHNE-HZPDHXFCSA-N 1 2 348.462 3.610 20 0 EHADLO CC[N@H+](Cc1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428932 608156341 /nfs/dbraw/zinc/15/63/41/608156341.db2.gz VPLVAMNVNLIGIB-LBPRGKRZSA-N 1 2 343.381 3.728 20 0 EHADLO CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428932 608156343 /nfs/dbraw/zinc/15/63/43/608156343.db2.gz VPLVAMNVNLIGIB-LBPRGKRZSA-N 1 2 343.381 3.728 20 0 EHADLO COc1ccc(-n2c3ccccc3[nH+]c2NCc2cn(C)nc2C)cc1 ZINC000195152609 1032058803 /nfs/dbraw/zinc/05/88/03/1032058803.db2.gz PIEUGMJNFZXDFZ-UHFFFAOYSA-N 1 2 347.422 3.688 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)s1 ZINC000459397427 1032065324 /nfs/dbraw/zinc/06/53/24/1032065324.db2.gz DNUNFOVAZNHRCE-UHFFFAOYSA-N 1 2 340.452 3.639 20 0 EHADLO Cc1ccc(NC(=O)NCCc2cn(C)c[nH+]2)cc1OCCC(C)C ZINC000459409308 1032073027 /nfs/dbraw/zinc/07/30/27/1032073027.db2.gz GWGNJDSRUWWGSS-UHFFFAOYSA-N 1 2 344.459 3.518 20 0 EHADLO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)sc1Cl)CC2 ZINC000449033822 1032073607 /nfs/dbraw/zinc/07/36/07/1032073607.db2.gz GJYGLFJRNNBHHJ-JTQLQIEISA-N 1 2 334.268 3.830 20 0 EHADLO CCC[C@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OCC ZINC000610341839 1018332294 /nfs/dbraw/zinc/33/22/94/1018332294.db2.gz AKSJWBAYHWHLRD-HNNXBMFYSA-N 1 2 342.277 3.703 20 0 EHADLO CN(C)C(=O)CC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000182235227 1032078661 /nfs/dbraw/zinc/07/86/61/1032078661.db2.gz AKIKAUZLGNJYNX-UHFFFAOYSA-N 1 2 349.544 3.881 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000536663944 1032082184 /nfs/dbraw/zinc/08/21/84/1032082184.db2.gz YIBHTFIFJMFZFP-NVXWUHKLSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000536663944 1032082168 /nfs/dbraw/zinc/08/21/68/1032082168.db2.gz YIBHTFIFJMFZFP-NVXWUHKLSA-N 1 2 348.512 3.964 20 0 EHADLO Cc1cn2cc(NC(=O)c3nc(-c4ccccc4)oc3C)ccc2[nH+]1 ZINC000339270820 1014136900 /nfs/dbraw/zinc/13/69/00/1014136900.db2.gz FFRTVDZYKIMOLJ-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO c1onc(Cc2ccccc2)c1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000339308393 1014200006 /nfs/dbraw/zinc/20/00/06/1014200006.db2.gz UIUUSGMBVHXXRU-UHFFFAOYSA-N 1 2 325.437 3.889 20 0 EHADLO Cc1cc(NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c(C)c[nH+]1 ZINC000547620101 1014219628 /nfs/dbraw/zinc/21/96/28/1014219628.db2.gz YJZLWWAGCTZFDU-AWEZNQCLSA-N 1 2 337.345 3.588 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1 ZINC000090232671 1014225814 /nfs/dbraw/zinc/22/58/14/1014225814.db2.gz DJVCNOOKJXJEAP-HNNXBMFYSA-N 1 2 329.407 3.666 20 0 EHADLO Cc1cc(C(N)=[NH+]OCc2cc(-c3cccs3)on2)ccc1F ZINC000063457704 1014313095 /nfs/dbraw/zinc/31/30/95/1014313095.db2.gz WGLFACNYMIALIS-UHFFFAOYSA-N 1 2 331.372 3.688 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000339437818 1014453663 /nfs/dbraw/zinc/45/36/63/1014453663.db2.gz MPMXOMVBBIQPTO-IMBTUZDBSA-N 1 2 328.456 3.668 20 0 EHADLO CC(C)(CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000579777736 1014460933 /nfs/dbraw/zinc/46/09/33/1014460933.db2.gz FLZSBTOROJWPEP-UHFFFAOYSA-N 1 2 326.375 3.573 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000182397130 1032095144 /nfs/dbraw/zinc/09/51/44/1032095144.db2.gz GHJIBQZYRZACLR-YJBOKZPZSA-N 1 2 326.444 3.523 20 0 EHADLO C[C@H]1CCC[C@]1(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498102 1032095631 /nfs/dbraw/zinc/09/56/31/1032095631.db2.gz UZRXJBFYCVCTFH-YWZLYKJASA-N 1 2 341.455 3.647 20 0 EHADLO Fc1ccc([C@@H]2CN(c3cccc[nH+]3)CCO2)cc1Br ZINC000274757634 1014867679 /nfs/dbraw/zinc/86/76/79/1014867679.db2.gz QXEPSLPMRFUJOG-AWEZNQCLSA-N 1 2 337.192 3.561 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@H](c3ccccc3C)CC2=O)s1 ZINC000728196636 1014943030 /nfs/dbraw/zinc/94/30/30/1014943030.db2.gz NQRITHBDJASZNQ-MRXNPFEDSA-N 1 2 328.481 3.770 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@H](c3ccccc3C)CC2=O)s1 ZINC000728196636 1014943036 /nfs/dbraw/zinc/94/30/36/1014943036.db2.gz NQRITHBDJASZNQ-MRXNPFEDSA-N 1 2 328.481 3.770 20 0 EHADLO C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C ZINC001625798085 1014953394 /nfs/dbraw/zinc/95/33/94/1014953394.db2.gz UDTFQANDRFOZCJ-GHRIWEEISA-N 1 2 331.419 3.900 20 0 EHADLO Cn1nc(C[NH2+]Cc2nc3ccc(F)cc3s2)c2ccccc21 ZINC000683204216 1014963037 /nfs/dbraw/zinc/96/30/37/1014963037.db2.gz CEBGJMJKWXIYND-UHFFFAOYSA-N 1 2 326.400 3.612 20 0 EHADLO Cc1cc(C)c(Nc2ccc(O)c(I)c2)c[nH+]1 ZINC001213513510 1014972599 /nfs/dbraw/zinc/97/25/99/1014972599.db2.gz QVELVHKNJXRQAR-UHFFFAOYSA-N 1 2 340.164 3.752 20 0 EHADLO CC[NH+]1CCC(C[NH2+]c2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001596404655 983975129 /nfs/dbraw/zinc/97/51/29/983975129.db2.gz XZMOVXGVZZSZDE-UHFFFAOYSA-N 1 2 345.487 3.519 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H]3CCCn4nccc43)n2)ccc1F ZINC000634582578 1015036561 /nfs/dbraw/zinc/03/65/61/1015036561.db2.gz WMPRLFACKAPTEL-IUODEOHRSA-N 1 2 341.390 3.566 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000634581828 1015040139 /nfs/dbraw/zinc/04/01/39/1015040139.db2.gz FGDZWXYMOGFXTN-SMDDNHRTSA-N 1 2 343.818 3.772 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339587371 1015084721 /nfs/dbraw/zinc/08/47/21/1015084721.db2.gz WMLUGKZJGOIZQT-UHFFFAOYSA-N 1 2 349.409 3.532 20 0 EHADLO Cc1ccc(CN(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000339593735 1015111078 /nfs/dbraw/zinc/11/10/78/1015111078.db2.gz NLMCAGQBDJDVJD-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO c1nc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)n(-c2ccccc2)n1 ZINC000375594743 1015123389 /nfs/dbraw/zinc/12/33/89/1015123389.db2.gz FDTOSJLXAAXBRT-GOSISDBHSA-N 1 2 336.464 3.557 20 0 EHADLO c1nc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)n(-c2ccccc2)n1 ZINC000375594743 1015123394 /nfs/dbraw/zinc/12/33/94/1015123394.db2.gz FDTOSJLXAAXBRT-GOSISDBHSA-N 1 2 336.464 3.557 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000533379804 1015170764 /nfs/dbraw/zinc/17/07/64/1015170764.db2.gz BPJUBPCWVJNDJR-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000533379804 1015170770 /nfs/dbraw/zinc/17/07/70/1015170770.db2.gz BPJUBPCWVJNDJR-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cc2ccccc2o1 ZINC000024054631 1015221528 /nfs/dbraw/zinc/22/15/28/1015221528.db2.gz ASBUUZYDCYBWQJ-ZDUSSCGKSA-N 1 2 348.406 3.953 20 0 EHADLO FC(F)c1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cn1 ZINC000639045025 1015250273 /nfs/dbraw/zinc/25/02/73/1015250273.db2.gz TVHBKYMMHCMBMC-KRWDZBQOSA-N 1 2 332.394 3.853 20 0 EHADLO FC(F)c1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cn1 ZINC000639045025 1015250281 /nfs/dbraw/zinc/25/02/81/1015250281.db2.gz TVHBKYMMHCMBMC-KRWDZBQOSA-N 1 2 332.394 3.853 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471187399 1015386017 /nfs/dbraw/zinc/38/60/17/1015386017.db2.gz QDIBQTLJUFVHSK-MRXNPFEDSA-N 1 2 330.815 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471187399 1015386025 /nfs/dbraw/zinc/38/60/25/1015386025.db2.gz QDIBQTLJUFVHSK-MRXNPFEDSA-N 1 2 330.815 3.734 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2Cc3cc(C)ccc3CC2(C)C)n1 ZINC000339636887 1015443322 /nfs/dbraw/zinc/44/33/22/1015443322.db2.gz JNFYTXOYJAXILK-CQSZACIVSA-N 1 2 329.444 3.812 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2Cc3cc(C)ccc3CC2(C)C)n1 ZINC000339636887 1015443329 /nfs/dbraw/zinc/44/33/29/1015443329.db2.gz JNFYTXOYJAXILK-CQSZACIVSA-N 1 2 329.444 3.812 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000339643310 1015448631 /nfs/dbraw/zinc/44/86/31/1015448631.db2.gz GGKOMMNLTLYOAB-UHFFFAOYSA-N 1 2 339.370 3.662 20 0 EHADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179564833 1015454039 /nfs/dbraw/zinc/45/40/39/1015454039.db2.gz UINONIZOZYSFDV-GFCCVEGCSA-N 1 2 328.366 3.733 20 0 EHADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179564833 1015454052 /nfs/dbraw/zinc/45/40/52/1015454052.db2.gz UINONIZOZYSFDV-GFCCVEGCSA-N 1 2 328.366 3.733 20 0 EHADLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001206803319 1015596929 /nfs/dbraw/zinc/59/69/29/1015596929.db2.gz DEUXATPGTHKQPZ-CQSZACIVSA-N 1 2 325.428 3.607 20 0 EHADLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001206803319 1015596935 /nfs/dbraw/zinc/59/69/35/1015596935.db2.gz DEUXATPGTHKQPZ-CQSZACIVSA-N 1 2 325.428 3.607 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(-c2cccnc2)s1 ZINC000535620394 1015709779 /nfs/dbraw/zinc/70/97/79/1015709779.db2.gz LBSMHVNOTBPAHQ-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC2(c3ccc(F)cc3)CCC2)c[nH+]1 ZINC000655432332 1015710077 /nfs/dbraw/zinc/71/00/77/1015710077.db2.gz IUCZZMHLCBJBCR-UHFFFAOYSA-N 1 2 327.403 3.716 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(Br)ccc2F)ccn1 ZINC000339865424 1015789132 /nfs/dbraw/zinc/78/91/32/1015789132.db2.gz KBXHEJSSKREZOS-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)ccn1 ZINC000339865424 1015789135 /nfs/dbraw/zinc/78/91/35/1015789135.db2.gz KBXHEJSSKREZOS-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO Cc1nc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)cs1 ZINC000275029163 1015794293 /nfs/dbraw/zinc/79/42/93/1015794293.db2.gz NXUZVYGNOXJLPD-OAHLLOKOSA-N 1 2 329.473 3.573 20 0 EHADLO Cc1nc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)cs1 ZINC000275029163 1015794298 /nfs/dbraw/zinc/79/42/98/1015794298.db2.gz NXUZVYGNOXJLPD-OAHLLOKOSA-N 1 2 329.473 3.573 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000182780341 1032128205 /nfs/dbraw/zinc/12/82/05/1032128205.db2.gz WJFJLAGVVFAJDI-LIRRHRJNSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CO)cc1 ZINC000182780341 1032128208 /nfs/dbraw/zinc/12/82/08/1032128208.db2.gz WJFJLAGVVFAJDI-LIRRHRJNSA-N 1 2 331.843 3.794 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(F)c1 ZINC000547767624 1016040731 /nfs/dbraw/zinc/04/07/31/1016040731.db2.gz AFXTUHZTUXIQKJ-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(F)c1 ZINC000547767624 1016040739 /nfs/dbraw/zinc/04/07/39/1016040739.db2.gz AFXTUHZTUXIQKJ-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1c(C)cc(C)[nH+]c1N(C)[C@@H](C)c1ccccc1OC ZINC001167106547 1016042924 /nfs/dbraw/zinc/04/29/24/1016042924.db2.gz ZBEIKUPPLAXVQW-AWEZNQCLSA-N 1 2 328.412 3.691 20 0 EHADLO Fc1ccc(NCc2ccc(-c3ncon3)cc2)cc1-n1cc[nH+]c1 ZINC001167118238 1016102833 /nfs/dbraw/zinc/10/28/33/1016102833.db2.gz SPUAMJGNEBANRP-UHFFFAOYSA-N 1 2 335.342 3.674 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001204439084 1016124080 /nfs/dbraw/zinc/12/40/80/1016124080.db2.gz OPPKTWKCMIXRJG-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001204439084 1016124088 /nfs/dbraw/zinc/12/40/88/1016124088.db2.gz OPPKTWKCMIXRJG-UHFFFAOYSA-N 1 2 326.843 3.560 20 0 EHADLO O=C(COc1ccccc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514893 1016143577 /nfs/dbraw/zinc/14/35/77/1016143577.db2.gz NBAQTQFVHFAAAZ-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000047597485 1016202342 /nfs/dbraw/zinc/20/23/42/1016202342.db2.gz JWALOAHDUMAVTA-FQEVSTJZSA-N 1 2 348.450 3.556 20 0 EHADLO COc1cnc(N2CCC(n3cc[nH+]c3)CC2)c2cc(Cl)ccc12 ZINC001167125984 1016208052 /nfs/dbraw/zinc/20/80/52/1016208052.db2.gz MSMRMFFQWIDVQP-UHFFFAOYSA-N 1 2 342.830 3.935 20 0 EHADLO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@@H+]1C ZINC001594245159 998935282 /nfs/dbraw/zinc/93/52/82/998935282.db2.gz IAUKRQSJQZYZIA-YOEHRIQHSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@H+]1C ZINC001594245159 998935287 /nfs/dbraw/zinc/93/52/87/998935287.db2.gz IAUKRQSJQZYZIA-YOEHRIQHSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245159 998935291 /nfs/dbraw/zinc/93/52/91/998935291.db2.gz IAUKRQSJQZYZIA-YOEHRIQHSA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245159 998935298 /nfs/dbraw/zinc/93/52/98/998935298.db2.gz IAUKRQSJQZYZIA-YOEHRIQHSA-N 1 2 342.439 3.559 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000093298558 1016339755 /nfs/dbraw/zinc/33/97/55/1016339755.db2.gz HCBBBQKKATZCIR-LBPRGKRZSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000093298558 1016339765 /nfs/dbraw/zinc/33/97/65/1016339765.db2.gz HCBBBQKKATZCIR-LBPRGKRZSA-N 1 2 345.270 3.800 20 0 EHADLO O=[N+]([O-])c1ccc(O)c(CNc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000094014776 1016352249 /nfs/dbraw/zinc/35/22/49/1016352249.db2.gz BDDUFUIXTLSWSG-UHFFFAOYSA-N 1 2 341.411 3.551 20 0 EHADLO CC[C@@H](CNc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 ZINC000026695772 1016351161 /nfs/dbraw/zinc/35/11/61/1016351161.db2.gz XFNNHGAJPGOJMK-HNNXBMFYSA-N 1 2 336.439 3.640 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000278727184 1032147434 /nfs/dbraw/zinc/14/74/34/1032147434.db2.gz UBKRCKKSOSTTHA-JTQLQIEISA-N 1 2 326.227 3.787 20 0 EHADLO C[NH+](C)[C@@H](c1nc(COc2ccc(Cl)cc2)no1)c1ccccc1 ZINC000579888657 1016415175 /nfs/dbraw/zinc/41/51/75/1016415175.db2.gz HZGCETBIZPOJEJ-QGZVFWFLSA-N 1 2 343.814 3.953 20 0 EHADLO CC(C)(CNC(=O)NCc1ccn2cc[nH+]c2c1)C1=CCCCC1 ZINC000547802350 1016434005 /nfs/dbraw/zinc/43/40/05/1016434005.db2.gz YFRNQZMTJNLAJT-UHFFFAOYSA-N 1 2 326.444 3.660 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccoc1 ZINC000588236235 1016461302 /nfs/dbraw/zinc/46/13/02/1016461302.db2.gz PJVKIJYYDPNHTR-UHFFFAOYSA-N 1 2 328.456 3.929 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccoc1 ZINC000588236235 1016461312 /nfs/dbraw/zinc/46/13/12/1016461312.db2.gz PJVKIJYYDPNHTR-UHFFFAOYSA-N 1 2 328.456 3.929 20 0 EHADLO Cc1ccc(NC(=O)c2csc(Br)c2)c(N(C)C)[nH+]1 ZINC000152886980 1035024662 /nfs/dbraw/zinc/02/46/62/1035024662.db2.gz UAJSGFFXRSZMDG-UHFFFAOYSA-N 1 2 340.246 3.532 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000120787946 1016491040 /nfs/dbraw/zinc/49/10/40/1016491040.db2.gz WNCZLOVYMSQNOS-UHFFFAOYSA-N 1 2 346.406 3.555 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@H](OC)C1CCCC1 ZINC001167199770 1016556445 /nfs/dbraw/zinc/55/64/45/1016556445.db2.gz VSEUFXPZWXIEMZ-KRWDZBQOSA-N 1 2 339.863 3.520 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](OC)C1CCCC1 ZINC001167199770 1016556456 /nfs/dbraw/zinc/55/64/56/1016556456.db2.gz VSEUFXPZWXIEMZ-KRWDZBQOSA-N 1 2 339.863 3.520 20 0 EHADLO Cc1cc(F)cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000178262347 1016575740 /nfs/dbraw/zinc/57/57/40/1016575740.db2.gz XAZWBFAWOFRWLF-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000430392644 1016616038 /nfs/dbraw/zinc/61/60/38/1016616038.db2.gz JMTAUOCESVBCGP-AGRHKRQWSA-N 1 2 335.382 4.000 20 0 EHADLO CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000275404906 1016706558 /nfs/dbraw/zinc/70/65/58/1016706558.db2.gz FQYKWIFHJDWZND-UHFFFAOYSA-N 1 2 345.446 3.735 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nccn2C2CC2)cnn1-c1ccc(F)cc1 ZINC000892685932 1016712450 /nfs/dbraw/zinc/71/24/50/1016712450.db2.gz FKYVEBDUQWNKEK-ZDUSSCGKSA-N 1 2 339.418 3.702 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000430400186 1016721255 /nfs/dbraw/zinc/72/12/55/1016721255.db2.gz MWRBPLHGZHCFDA-DQLDELGASA-N 1 2 345.446 3.597 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000178745481 1016769287 /nfs/dbraw/zinc/76/92/87/1016769287.db2.gz AXCHEUDASNZMEE-SFHVURJKSA-N 1 2 342.393 3.826 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000178745481 1016769296 /nfs/dbraw/zinc/76/92/96/1016769296.db2.gz AXCHEUDASNZMEE-SFHVURJKSA-N 1 2 342.393 3.826 20 0 EHADLO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000376601071 1016779511 /nfs/dbraw/zinc/77/95/11/1016779511.db2.gz XHVFWKULURMNOH-INIZCTEOSA-N 1 2 328.460 3.653 20 0 EHADLO C[C@@H]1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1c1ccccc1 ZINC000430406068 1016810830 /nfs/dbraw/zinc/81/08/30/1016810830.db2.gz UMFOVFNEKVUEFU-KPOBHBOGSA-N 1 2 349.409 3.677 20 0 EHADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000706001231 1016837267 /nfs/dbraw/zinc/83/72/67/1016837267.db2.gz PBWJFIAKWYBOEG-WBMJQRKESA-N 1 2 343.814 3.995 20 0 EHADLO c1csc([C@H]([NH2+]CC2(Cc3ccccc3)CCC2)c2nnc[nH]2)c1 ZINC000340301226 1016905964 /nfs/dbraw/zinc/90/59/64/1016905964.db2.gz KQYODAISOLXSKM-KRWDZBQOSA-N 1 2 338.480 3.958 20 0 EHADLO CC1(C)CN(c2cc[nH+]c3c(Br)cccc23)CC[C@@H]1O ZINC000275508888 1016943375 /nfs/dbraw/zinc/94/33/75/1016943375.db2.gz URXZPSRQNFCDRX-AWEZNQCLSA-N 1 2 335.245 3.595 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cs2)cc1 ZINC000275519491 1016963828 /nfs/dbraw/zinc/96/38/28/1016963828.db2.gz UYZYXNCUVWXDRP-KRWDZBQOSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](O)C(C)(C)C3)cs2)cc1 ZINC000275519491 1016963850 /nfs/dbraw/zinc/96/38/50/1016963850.db2.gz UYZYXNCUVWXDRP-KRWDZBQOSA-N 1 2 346.496 3.623 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547833477 1016998585 /nfs/dbraw/zinc/99/85/85/1016998585.db2.gz QIWXNUGRRZHZLE-SUMWQHHRSA-N 1 2 347.846 3.671 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547833475 1016999127 /nfs/dbraw/zinc/99/91/27/1016999127.db2.gz QIWXNUGRRZHZLE-DYVFJYSZSA-N 1 2 347.846 3.671 20 0 EHADLO CSc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000659811629 1017054870 /nfs/dbraw/zinc/05/48/70/1017054870.db2.gz GWUWMGMKLQBALE-UHFFFAOYSA-N 1 2 344.455 3.506 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)cc1 ZINC000188130711 1017060677 /nfs/dbraw/zinc/06/06/77/1017060677.db2.gz OFDNUXHYIZVCEJ-FQEVSTJZSA-N 1 2 327.472 3.675 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000536697986 1032159046 /nfs/dbraw/zinc/15/90/46/1032159046.db2.gz LFDALCRKIVSYRO-HXUWFJFHSA-N 1 2 333.435 3.959 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000536697986 1032159050 /nfs/dbraw/zinc/15/90/50/1032159050.db2.gz LFDALCRKIVSYRO-HXUWFJFHSA-N 1 2 333.435 3.959 20 0 EHADLO FC(F)[C@H](Cc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000536700488 1032161959 /nfs/dbraw/zinc/16/19/59/1032161959.db2.gz VLAXDPNFAHHTDG-IBGZPJMESA-N 1 2 341.405 3.897 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(F)s1 ZINC000668414396 1032162123 /nfs/dbraw/zinc/16/21/23/1032162123.db2.gz BUTFEJCWQANXLA-UHFFFAOYSA-N 1 2 333.432 3.593 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183358579 1032164596 /nfs/dbraw/zinc/16/45/96/1032164596.db2.gz ACZBBXLJTHLIRI-WBMJQRKESA-N 1 2 336.432 3.643 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183358579 1032164606 /nfs/dbraw/zinc/16/46/06/1032164606.db2.gz ACZBBXLJTHLIRI-WBMJQRKESA-N 1 2 336.432 3.643 20 0 EHADLO Fc1cc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)cc(F)c1F ZINC000538158476 1032181023 /nfs/dbraw/zinc/18/10/23/1032181023.db2.gz BQOGADMVEVOORA-UHFFFAOYSA-N 1 2 345.324 3.933 20 0 EHADLO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2cocn2)CC1 ZINC000278738041 1032208193 /nfs/dbraw/zinc/20/81/93/1032208193.db2.gz RPYHBXIMFGRJLF-UHFFFAOYSA-N 1 2 334.419 3.825 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000484993791 1032225898 /nfs/dbraw/zinc/22/58/98/1032225898.db2.gz DFOFEAQVBWNLGC-OAHLLOKOSA-N 1 2 344.484 3.656 20 0 EHADLO CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000484993791 1032225910 /nfs/dbraw/zinc/22/59/10/1032225910.db2.gz DFOFEAQVBWNLGC-OAHLLOKOSA-N 1 2 344.484 3.656 20 0 EHADLO FC(F)(F)c1cccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948904 1032226040 /nfs/dbraw/zinc/22/60/40/1032226040.db2.gz QZCZLAWWHWAITN-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cccc(NC(=O)CC(C)C)c2)[nH+]1 ZINC000080970145 1032231846 /nfs/dbraw/zinc/23/18/46/1032231846.db2.gz VDNYSZGSCJSYJO-UHFFFAOYSA-N 1 2 337.427 3.863 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCc2coc(-c3ccc(F)cc3)n2)[nH+]1 ZINC000080985717 1032239202 /nfs/dbraw/zinc/23/92/02/1032239202.db2.gz UYJBAXRZVKJXSM-UHFFFAOYSA-N 1 2 337.358 3.715 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000485002596 1032243437 /nfs/dbraw/zinc/24/34/37/1032243437.db2.gz GFPHDHYXBSLWPC-AWEZNQCLSA-N 1 2 347.418 3.839 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(Cl)c1 ZINC000459528560 1032247222 /nfs/dbraw/zinc/24/72/22/1032247222.db2.gz NTNLGEUXCGXJMP-QGZVFWFLSA-N 1 2 327.827 3.557 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(Cl)c1 ZINC000459528560 1032247229 /nfs/dbraw/zinc/24/72/29/1032247229.db2.gz NTNLGEUXCGXJMP-QGZVFWFLSA-N 1 2 327.827 3.557 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528411281 1032249042 /nfs/dbraw/zinc/24/90/42/1032249042.db2.gz WUSSLPZBKDOWQL-CRAIPNDOSA-N 1 2 330.447 3.611 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000538258993 1032254410 /nfs/dbraw/zinc/25/44/10/1032254410.db2.gz SHSGGAYPBUOKAW-ZDUSSCGKSA-N 1 2 342.414 3.612 20 0 EHADLO C[N@H+](CCOCC(F)(F)F)Cc1ccc(F)cc1Br ZINC000485027658 1032262022 /nfs/dbraw/zinc/26/20/22/1032262022.db2.gz SSRKRRSDXISFHX-UHFFFAOYSA-N 1 2 344.146 3.599 20 0 EHADLO C[N@@H+](CCOCC(F)(F)F)Cc1ccc(F)cc1Br ZINC000485027658 1032262037 /nfs/dbraw/zinc/26/20/37/1032262037.db2.gz SSRKRRSDXISFHX-UHFFFAOYSA-N 1 2 344.146 3.599 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c(F)c1 ZINC000528427997 1032262837 /nfs/dbraw/zinc/26/28/37/1032262837.db2.gz XNDRSHFNGMAYRS-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c(F)c1 ZINC000528427997 1032262851 /nfs/dbraw/zinc/26/28/51/1032262851.db2.gz XNDRSHFNGMAYRS-INIZCTEOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1nn2c(C[NH+]3CC(Cc4ccccc4Cl)C3)c(C)nc2s1 ZINC000459555797 1032272481 /nfs/dbraw/zinc/27/24/81/1032272481.db2.gz DULAQONOBMANBD-UHFFFAOYSA-N 1 2 346.887 3.736 20 0 EHADLO COCc1cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)no1 ZINC000459560532 1032277729 /nfs/dbraw/zinc/27/77/29/1032277729.db2.gz KNSNSNOTBFVOJI-UHFFFAOYSA-N 1 2 336.382 3.554 20 0 EHADLO Cc1scc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000184351488 1032286467 /nfs/dbraw/zinc/28/64/67/1032286467.db2.gz LOLPFMMZUIIJIP-CYBMUJFWSA-N 1 2 334.510 3.945 20 0 EHADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459569496 1032294930 /nfs/dbraw/zinc/29/49/30/1032294930.db2.gz KWOGEPDHBHKATR-ZFWWWQNUSA-N 1 2 340.389 3.671 20 0 EHADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459569496 1032294943 /nfs/dbraw/zinc/29/49/43/1032294943.db2.gz KWOGEPDHBHKATR-ZFWWWQNUSA-N 1 2 340.389 3.671 20 0 EHADLO Fc1cccc(Cl)c1CC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428835916 1032291988 /nfs/dbraw/zinc/29/19/88/1032291988.db2.gz COOGNUVWULCDMB-UHFFFAOYSA-N 1 2 348.853 3.787 20 0 EHADLO Fc1cccc(Cl)c1CC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428835916 1032292001 /nfs/dbraw/zinc/29/20/01/1032292001.db2.gz COOGNUVWULCDMB-UHFFFAOYSA-N 1 2 348.853 3.787 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(O)c2Br)[C@@H]1[C@H]1CCCO1 ZINC000459570109 1032297575 /nfs/dbraw/zinc/29/75/75/1032297575.db2.gz ZVVBXLSDXCJEAY-UKRRQHHQSA-N 1 2 340.261 3.544 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(O)c2Br)[C@@H]1[C@H]1CCCO1 ZINC000459570109 1032297586 /nfs/dbraw/zinc/29/75/86/1032297586.db2.gz ZVVBXLSDXCJEAY-UKRRQHHQSA-N 1 2 340.261 3.544 20 0 EHADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000459580970 1032304206 /nfs/dbraw/zinc/30/42/06/1032304206.db2.gz LRQIIKOOIQCJMY-UHFFFAOYSA-N 1 2 328.485 3.889 20 0 EHADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000459580970 1032304216 /nfs/dbraw/zinc/30/42/16/1032304216.db2.gz LRQIIKOOIQCJMY-UHFFFAOYSA-N 1 2 328.485 3.889 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cccc(F)c2F)c2ccc(F)cc2)cn1 ZINC000184605478 1032309362 /nfs/dbraw/zinc/30/93/62/1032309362.db2.gz VBRXTCGCNIGFEZ-SFHVURJKSA-N 1 2 331.341 3.717 20 0 EHADLO Clc1cc(Br)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000459619975 1032331093 /nfs/dbraw/zinc/33/10/93/1032331093.db2.gz MRLRZJMBLWUOGO-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000528496317 1032355505 /nfs/dbraw/zinc/35/55/05/1032355505.db2.gz ZYFIIPHGATWFJO-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000528496317 1032355522 /nfs/dbraw/zinc/35/55/22/1032355522.db2.gz ZYFIIPHGATWFJO-GXSJLCMTSA-N 1 2 334.204 3.727 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799650 1032366558 /nfs/dbraw/zinc/36/65/58/1032366558.db2.gz ZXYCTDIFZDSNHN-SJLPKXTDSA-N 1 2 345.512 3.593 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1C(F)(F)F ZINC000528490281 1032381451 /nfs/dbraw/zinc/38/14/51/1032381451.db2.gz JTQPFKHSNLJJMC-CABCVRRESA-N 1 2 348.372 3.654 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1C(F)(F)F ZINC000528490281 1032381460 /nfs/dbraw/zinc/38/14/60/1032381460.db2.gz JTQPFKHSNLJJMC-CABCVRRESA-N 1 2 348.372 3.654 20 0 EHADLO FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217708012 1032386450 /nfs/dbraw/zinc/38/64/50/1032386450.db2.gz ZCDPWOGQMWQZES-YPMHNXCESA-N 1 2 345.752 3.917 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000185475694 1032401787 /nfs/dbraw/zinc/40/17/87/1032401787.db2.gz IMTJDVNWVLFLCD-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306739 1032425270 /nfs/dbraw/zinc/42/52/70/1032425270.db2.gz XMJBFNGTLVEASI-VQIMIIECSA-N 1 2 343.492 3.858 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306739 1032425277 /nfs/dbraw/zinc/42/52/77/1032425277.db2.gz XMJBFNGTLVEASI-VQIMIIECSA-N 1 2 343.492 3.858 20 0 EHADLO Cc1[nH+]ccn1CCCN(C)Cc1cccc(F)c1Br ZINC000449324134 1032436724 /nfs/dbraw/zinc/43/67/24/1032436724.db2.gz CSUYOSIAGDOSFC-UHFFFAOYSA-N 1 2 340.240 3.615 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188212733 1017084286 /nfs/dbraw/zinc/08/42/86/1017084286.db2.gz FCYBJADXZATUBZ-IBGZPJMESA-N 1 2 339.826 3.522 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536951074 1032458456 /nfs/dbraw/zinc/45/84/56/1032458456.db2.gz MGVUEFKTWNQFQP-HUUCEWRRSA-N 1 2 341.858 3.712 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536951074 1032458462 /nfs/dbraw/zinc/45/84/62/1032458462.db2.gz MGVUEFKTWNQFQP-HUUCEWRRSA-N 1 2 341.858 3.712 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1c(F)cccc1F ZINC000537024277 1032490156 /nfs/dbraw/zinc/49/01/56/1032490156.db2.gz FBAAUGVTZADJJV-KBPBESRZSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@@H](C[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822501 1032491787 /nfs/dbraw/zinc/49/17/87/1032491787.db2.gz HTYXWSPVJLKSFS-KBPBESRZSA-N 1 2 345.443 3.707 20 0 EHADLO C[C@@H](C[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822501 1032491797 /nfs/dbraw/zinc/49/17/97/1032491797.db2.gz HTYXWSPVJLKSFS-KBPBESRZSA-N 1 2 345.443 3.707 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)C[C@H]3CCc4ccccc43)ccc2[nH+]1 ZINC000665951420 1032492184 /nfs/dbraw/zinc/49/21/84/1032492184.db2.gz KOXBWFBNEIREKC-MRXNPFEDSA-N 1 2 334.423 3.836 20 0 EHADLO Cc1cccn2cc(CC(=O)N3C[C@@H](C)Sc4ccccc43)[nH+]c12 ZINC000088221591 1032494054 /nfs/dbraw/zinc/49/40/54/1032494054.db2.gz YENRXEFCXLMFKQ-CQSZACIVSA-N 1 2 337.448 3.713 20 0 EHADLO Cc1noc(C23CC(C2)C[N@H+]3CCOc2ccc(C(C)C)c(C)c2)n1 ZINC000528635206 1032529920 /nfs/dbraw/zinc/52/99/20/1032529920.db2.gz RCBYWUSUUCCVOK-UHFFFAOYSA-N 1 2 341.455 3.810 20 0 EHADLO Cc1noc(C23CC(C2)C[N@@H+]3CCOc2ccc(C(C)C)c(C)c2)n1 ZINC000528635206 1032529928 /nfs/dbraw/zinc/52/99/28/1032529928.db2.gz RCBYWUSUUCCVOK-UHFFFAOYSA-N 1 2 341.455 3.810 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nnnn1C1CCCCC1 ZINC000528656053 1032541277 /nfs/dbraw/zinc/54/12/77/1032541277.db2.gz FGWFYTMHCUFWOY-KDOFPFPSSA-N 1 2 340.475 3.765 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1c(F)cccc1Cl ZINC000537173913 1032547823 /nfs/dbraw/zinc/54/78/23/1032547823.db2.gz OALHDSPMPFROHB-XQQFMLRXSA-N 1 2 326.843 3.634 20 0 EHADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(I)cc1 ZINC000378850568 1017317116 /nfs/dbraw/zinc/31/71/16/1017317116.db2.gz DXRHOSTZMFNPCU-QMMMGPOBSA-N 1 2 325.140 3.597 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000089996954 1032551391 /nfs/dbraw/zinc/55/13/91/1032551391.db2.gz MLMNGQOFGNEZID-WMLDXEAASA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000089996954 1032551397 /nfs/dbraw/zinc/55/13/97/1032551397.db2.gz MLMNGQOFGNEZID-WMLDXEAASA-N 1 2 347.846 3.627 20 0 EHADLO Cc1cc2c(ncnc2NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000090071671 1032557406 /nfs/dbraw/zinc/55/74/06/1032557406.db2.gz NWFYDGJTGIXORI-UHFFFAOYSA-N 1 2 339.468 3.997 20 0 EHADLO CCC1(O)CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000537203562 1032567222 /nfs/dbraw/zinc/56/72/22/1032567222.db2.gz FZBIHAAWIHVLSZ-UHFFFAOYSA-N 1 2 332.669 3.839 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1F ZINC000528680640 1032571101 /nfs/dbraw/zinc/57/11/01/1032571101.db2.gz VEZLIMOFUNPRDD-UHFFFAOYSA-N 1 2 344.434 3.663 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1nnnn1C1CC1 ZINC000090172582 1032578006 /nfs/dbraw/zinc/57/80/06/1032578006.db2.gz DJQBCTNUHGLAFE-HNNXBMFYSA-N 1 2 349.866 3.547 20 0 EHADLO Brc1ccc([C@@H]([NH2+]Cc2csnn2)C2CCC2)cc1 ZINC000537256043 1032584231 /nfs/dbraw/zinc/58/42/31/1032584231.db2.gz OVBLAFUDVBQBEY-AWEZNQCLSA-N 1 2 338.274 3.932 20 0 EHADLO O[C@]1(C(F)F)CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000449474950 1032597061 /nfs/dbraw/zinc/59/70/61/1032597061.db2.gz SKBKDTPYLCEMRA-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000449474950 1032597082 /nfs/dbraw/zinc/59/70/82/1032597082.db2.gz SKBKDTPYLCEMRA-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000669622041 1032597625 /nfs/dbraw/zinc/59/76/25/1032597625.db2.gz CUGACFSMUDHVIO-WMZOPIPTSA-N 1 2 337.467 3.666 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cn1 ZINC000090883374 1032603663 /nfs/dbraw/zinc/60/36/63/1032603663.db2.gz MYAZYSZFMXCKNG-CYBMUJFWSA-N 1 2 345.397 3.779 20 0 EHADLO CCc1cc(CCCN2CC[NH+](C/C=C\c3ccccc3)CC2)on1 ZINC000584437133 1032605444 /nfs/dbraw/zinc/60/54/44/1032605444.db2.gz UDPZSOYPFHTTKT-POHAHGRESA-N 1 2 339.483 3.501 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000460169449 1032640848 /nfs/dbraw/zinc/64/08/48/1032640848.db2.gz LCFYGVPVPDTJMF-MRXNPFEDSA-N 1 2 328.460 3.652 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)sc1C ZINC000592983834 1032656640 /nfs/dbraw/zinc/65/66/40/1032656640.db2.gz SIIZFBDXTAOMOJ-LLVKDONJSA-N 1 2 335.498 3.597 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)sc1C ZINC000592983834 1032656645 /nfs/dbraw/zinc/65/66/45/1032656645.db2.gz SIIZFBDXTAOMOJ-LLVKDONJSA-N 1 2 335.498 3.597 20 0 EHADLO CC(C)(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000606369751 1032656620 /nfs/dbraw/zinc/65/66/20/1032656620.db2.gz KGJAFVZZVZFEHH-CQSZACIVSA-N 1 2 338.442 3.872 20 0 EHADLO CC(C)(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000606369751 1032656627 /nfs/dbraw/zinc/65/66/27/1032656627.db2.gz KGJAFVZZVZFEHH-CQSZACIVSA-N 1 2 338.442 3.872 20 0 EHADLO [NH3+]C1(c2noc(-c3cc(Cl)c4ccccc4c3O)n2)CCCC1 ZINC000414623370 1017073707 /nfs/dbraw/zinc/07/37/07/1017073707.db2.gz DOODTHZQUIMGCL-UHFFFAOYSA-N 1 2 329.787 3.977 20 0 EHADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000084860501 1017106167 /nfs/dbraw/zinc/10/61/67/1017106167.db2.gz COZVDTPHXCHQAV-UHFFFAOYSA-N 1 2 331.362 3.765 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1nc(C(F)(F)F)cs1 ZINC000343839289 1017117720 /nfs/dbraw/zinc/11/77/20/1017117720.db2.gz LAXNNVFEBFDMHA-MRVPVSSYSA-N 1 2 330.331 3.741 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)nc1 ZINC000088535051 1017121701 /nfs/dbraw/zinc/12/17/01/1017121701.db2.gz APJLEVJUHXNWLQ-LIRRHRJNSA-N 1 2 330.403 3.581 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)nc1 ZINC000088535051 1017121707 /nfs/dbraw/zinc/12/17/07/1017121707.db2.gz APJLEVJUHXNWLQ-LIRRHRJNSA-N 1 2 330.403 3.581 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683443937 1017145000 /nfs/dbraw/zinc/14/50/00/1017145000.db2.gz MWLXQDWITVCUPO-CQSZACIVSA-N 1 2 331.375 3.894 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1SC(F)(F)F)n1cc[nH+]c1 ZINC000890854496 1017164383 /nfs/dbraw/zinc/16/43/83/1017164383.db2.gz DWVIMJNXZIQGHK-LLVKDONJSA-N 1 2 343.374 3.763 20 0 EHADLO CC1(C)OCC[C@@H]1[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000579916820 1017164876 /nfs/dbraw/zinc/16/48/76/1017164876.db2.gz MWJRSOZTAHVXBA-ROUUACIJSA-N 1 2 349.434 3.983 20 0 EHADLO Cc1cccc(CN(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1C ZINC000579920433 1017177995 /nfs/dbraw/zinc/17/79/95/1017177995.db2.gz XSUFODJQOIJLIW-UHFFFAOYSA-N 1 2 349.438 3.607 20 0 EHADLO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2noc(C(C)C)n2)c1 ZINC000547883296 1017185551 /nfs/dbraw/zinc/18/55/51/1017185551.db2.gz RMRIGOCQPRZQBG-DLBZAZTESA-N 1 2 329.444 3.981 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1csc(C(F)(F)F)c1 ZINC000625274947 1017221330 /nfs/dbraw/zinc/22/13/30/1017221330.db2.gz FRHYSFBOYKQGFU-UHFFFAOYSA-N 1 2 343.374 3.784 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)cc1O ZINC000683520531 1017254410 /nfs/dbraw/zinc/25/44/10/1017254410.db2.gz DPRXFGPFHQNBQF-CYBMUJFWSA-N 1 2 327.428 3.599 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)cc1O ZINC000683520531 1017254424 /nfs/dbraw/zinc/25/44/24/1017254424.db2.gz DPRXFGPFHQNBQF-CYBMUJFWSA-N 1 2 327.428 3.599 20 0 EHADLO CN(C[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1)C(=O)OC(C)(C)C ZINC000255067439 1017308592 /nfs/dbraw/zinc/30/85/92/1017308592.db2.gz WRNSPHAJAFHZRL-FMNNIJNLSA-N 1 2 337.291 3.884 20 0 EHADLO CN(C[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1)C(=O)OC(C)(C)C ZINC000255067439 1017308600 /nfs/dbraw/zinc/30/86/00/1017308600.db2.gz WRNSPHAJAFHZRL-FMNNIJNLSA-N 1 2 337.291 3.884 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000606450268 1032690721 /nfs/dbraw/zinc/69/07/21/1032690721.db2.gz UAHXORCXOVXMOY-ZDUSSCGKSA-N 1 2 346.833 3.715 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000606450268 1032690731 /nfs/dbraw/zinc/69/07/31/1032690731.db2.gz UAHXORCXOVXMOY-ZDUSSCGKSA-N 1 2 346.833 3.715 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](c1ccncc1)C1CC1 ZINC000890910110 1017328916 /nfs/dbraw/zinc/32/89/16/1017328916.db2.gz VRTOGHPCFNDMNM-ICSRJNTNSA-N 1 2 346.434 3.594 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000606449929 1032692338 /nfs/dbraw/zinc/69/23/38/1032692338.db2.gz JURGHEOYBNUHCC-AWEZNQCLSA-N 1 2 330.447 3.678 20 0 EHADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000606449929 1032692351 /nfs/dbraw/zinc/69/23/51/1032692351.db2.gz JURGHEOYBNUHCC-AWEZNQCLSA-N 1 2 330.447 3.678 20 0 EHADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000683564618 1017389322 /nfs/dbraw/zinc/38/93/22/1017389322.db2.gz RNJNGSCYGOSZFP-GJZGRUSLSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000683564618 1017389330 /nfs/dbraw/zinc/38/93/30/1017389330.db2.gz RNJNGSCYGOSZFP-GJZGRUSLSA-N 1 2 349.887 3.589 20 0 EHADLO C[NH+](C)[C@H](CN[C@H]1COCc2cccc(Cl)c21)c1ccsc1 ZINC000924605041 1017444417 /nfs/dbraw/zinc/44/44/17/1017444417.db2.gz ZZESDCBZPJCSAL-JKSUJKDBSA-N 1 2 336.888 3.865 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ccncc1Br)c1ccc(C)o1 ZINC000625319587 1017456673 /nfs/dbraw/zinc/45/66/73/1017456673.db2.gz KCBNNNAOGQGUOU-CQSZACIVSA-N 1 2 339.233 3.613 20 0 EHADLO COC[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655723946 1017459136 /nfs/dbraw/zinc/45/91/36/1017459136.db2.gz JPRWXCPTJAVLCF-HUUCEWRRSA-N 1 2 339.361 3.714 20 0 EHADLO Cc1ccc2snc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000340410320 1017494075 /nfs/dbraw/zinc/49/40/75/1017494075.db2.gz XPLPKCLFRUNRCH-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO Cc1nn(-c2ccccc2F)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000655739027 1017502649 /nfs/dbraw/zinc/50/26/49/1017502649.db2.gz UMDIJZGQPZLHCX-UHFFFAOYSA-N 1 2 330.432 3.801 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cncc(-c3ccccc3)n2)c1C ZINC000537408646 1032709808 /nfs/dbraw/zinc/70/98/08/1032709808.db2.gz LLYHEXVKRBTNMD-UHFFFAOYSA-N 1 2 334.423 3.800 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547953869 1017582630 /nfs/dbraw/zinc/58/26/30/1017582630.db2.gz BJDFJGXYBLWZEW-AEFFLSMTSA-N 1 2 340.471 3.593 20 0 EHADLO c1ccc([C@H](CC2CCC2)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655794863 1017627580 /nfs/dbraw/zinc/62/75/80/1017627580.db2.gz UBKFMCZYEISCNO-DLBZAZTESA-N 1 2 326.444 3.677 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000655795044 1017628400 /nfs/dbraw/zinc/62/84/00/1017628400.db2.gz VQUTVFYQDOLGBM-GOEBONIOSA-N 1 2 334.851 3.797 20 0 EHADLO Cc1nc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000413391996 1017654206 /nfs/dbraw/zinc/65/42/06/1017654206.db2.gz HWDSTXGSLIAJED-CQSZACIVSA-N 1 2 343.393 3.587 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ncc(Br)cn1 ZINC000340418770 1017679099 /nfs/dbraw/zinc/67/90/99/1017679099.db2.gz BWJMRTCIDUIPRT-VXGBXAGGSA-N 1 2 349.276 3.717 20 0 EHADLO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)s1 ZINC000340427294 1017753475 /nfs/dbraw/zinc/75/34/75/1017753475.db2.gz SYXGQGRVZNTOPZ-VXNVDRBHSA-N 1 2 341.278 3.724 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000340428665 1017761382 /nfs/dbraw/zinc/76/13/82/1017761382.db2.gz XUBWRSDOYIROQV-HZMBPMFUSA-N 1 2 348.244 3.586 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856186 1017794775 /nfs/dbraw/zinc/79/47/75/1017794775.db2.gz LKSFFLUGBGEZCQ-HOTGVXAUSA-N 1 2 344.528 3.688 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856186 1017794786 /nfs/dbraw/zinc/79/47/86/1017794786.db2.gz LKSFFLUGBGEZCQ-HOTGVXAUSA-N 1 2 344.528 3.688 20 0 EHADLO CC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)s1 ZINC000026807975 1017814459 /nfs/dbraw/zinc/81/44/59/1017814459.db2.gz GZDFHYBLFCHNPK-UHFFFAOYSA-N 1 2 326.893 3.528 20 0 EHADLO CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)s1 ZINC000026807975 1017814475 /nfs/dbraw/zinc/81/44/75/1017814475.db2.gz GZDFHYBLFCHNPK-UHFFFAOYSA-N 1 2 326.893 3.528 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1OCC(F)(F)F ZINC000579967402 1017835683 /nfs/dbraw/zinc/83/56/83/1017835683.db2.gz HZDHOVOXVDKAAI-ZDUSSCGKSA-N 1 2 335.341 3.960 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1OCC(F)(F)F ZINC000579967402 1017835700 /nfs/dbraw/zinc/83/57/00/1017835700.db2.gz HZDHOVOXVDKAAI-ZDUSSCGKSA-N 1 2 335.341 3.960 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343844228 1017839539 /nfs/dbraw/zinc/83/95/39/1017839539.db2.gz URCGWZAVXLAQQU-LDYMZIIASA-N 1 2 334.338 3.685 20 0 EHADLO Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1OCC1CCOCC1 ZINC000525461415 1017866649 /nfs/dbraw/zinc/86/66/49/1017866649.db2.gz UABFYQMMNAUZRL-UHFFFAOYSA-N 1 2 338.411 3.815 20 0 EHADLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000340449364 1017869192 /nfs/dbraw/zinc/86/91/92/1017869192.db2.gz UUDFOVPFBJEAAH-RYUDHWBXSA-N 1 2 334.366 3.651 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1C ZINC000066793091 1017986805 /nfs/dbraw/zinc/98/68/05/1017986805.db2.gz NLCWXIWKBGVAHE-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1C ZINC000066793091 1017986815 /nfs/dbraw/zinc/98/68/15/1017986815.db2.gz NLCWXIWKBGVAHE-SFHVURJKSA-N 1 2 339.483 3.952 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc([S@@](C)=O)cc1)C2 ZINC000091857769 1032738705 /nfs/dbraw/zinc/73/87/05/1032738705.db2.gz ZBEIRYUGEMOLAQ-DEOSSOPVSA-N 1 2 343.492 3.771 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc([S@@](C)=O)cc1)C2 ZINC000091857769 1032738733 /nfs/dbraw/zinc/73/87/33/1032738733.db2.gz ZBEIRYUGEMOLAQ-DEOSSOPVSA-N 1 2 343.492 3.771 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3C(F)(F)F)ccn12 ZINC000891084278 1018104170 /nfs/dbraw/zinc/10/41/70/1018104170.db2.gz LVXKMTWSFXZJBO-KGLIPLIRSA-N 1 2 339.361 3.836 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000644624152 1018123768 /nfs/dbraw/zinc/12/37/68/1018123768.db2.gz FPLVYVILJZBZQH-PKOBYXMFSA-N 1 2 325.456 3.624 20 0 EHADLO Cc1c(F)cccc1C[NH+]1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001204509158 1018185235 /nfs/dbraw/zinc/18/52/35/1018185235.db2.gz WTIQAHSSOSCCRB-UHFFFAOYSA-N 1 2 334.435 3.719 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4cccc(F)c4[C@@H]3C)ccc2[nH+]1 ZINC000606569236 1032752641 /nfs/dbraw/zinc/75/26/41/1032752641.db2.gz GKYNVTLDHGHFOH-ZDUSSCGKSA-N 1 2 338.386 3.933 20 0 EHADLO CCSCc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000610326966 1018231331 /nfs/dbraw/zinc/23/13/31/1018231331.db2.gz BITVVDMPTWXSMN-UHFFFAOYSA-N 1 2 332.473 3.738 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000042534866 1018334556 /nfs/dbraw/zinc/33/45/56/1018334556.db2.gz CTFJOQYDZKYIEV-AWEZNQCLSA-N 1 2 331.847 3.553 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000042863076 1018372303 /nfs/dbraw/zinc/37/23/03/1018372303.db2.gz MIWCHMSPMWWRAY-HZPDHXFCSA-N 1 2 345.487 3.750 20 0 EHADLO CC(C)c1ncc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000092068824 1032760141 /nfs/dbraw/zinc/76/01/41/1032760141.db2.gz JVURFYJAAISSCZ-UHFFFAOYSA-N 1 2 332.395 3.651 20 0 EHADLO CC(C)c1ncc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000092068824 1032760151 /nfs/dbraw/zinc/76/01/51/1032760151.db2.gz JVURFYJAAISSCZ-UHFFFAOYSA-N 1 2 332.395 3.651 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000377858468 1018479967 /nfs/dbraw/zinc/47/99/67/1018479967.db2.gz YYPKAEYINVTKTP-UHFFFAOYSA-N 1 2 344.374 3.891 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073680 1032770216 /nfs/dbraw/zinc/77/02/16/1032770216.db2.gz WMCKKUWOZZAREV-UHFFFAOYSA-N 1 2 329.774 3.748 20 0 EHADLO CCOc1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc(Cl)c1O ZINC000340572850 1018562539 /nfs/dbraw/zinc/56/25/39/1018562539.db2.gz ONBZTWHSQJMZQZ-QGZVFWFLSA-N 1 2 347.842 3.536 20 0 EHADLO CCOc1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc(Cl)c1O ZINC000340572850 1018562547 /nfs/dbraw/zinc/56/25/47/1018562547.db2.gz ONBZTWHSQJMZQZ-QGZVFWFLSA-N 1 2 347.842 3.536 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171323 1018687582 /nfs/dbraw/zinc/68/75/82/1018687582.db2.gz SKXUVJVXBSNYPZ-UHFFFAOYSA-N 1 2 328.890 3.553 20 0 EHADLO CN(Cc1cccs1)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171323 1018687592 /nfs/dbraw/zinc/68/75/92/1018687592.db2.gz SKXUVJVXBSNYPZ-UHFFFAOYSA-N 1 2 328.890 3.553 20 0 EHADLO c1cn(-c2ccc(NCc3cnc([C@@H]4CCCO4)s3)cc2)c[nH+]1 ZINC000564808740 1018690045 /nfs/dbraw/zinc/69/00/45/1018690045.db2.gz VFXSGCBVKWWGHY-INIZCTEOSA-N 1 2 326.425 3.792 20 0 EHADLO O=C(C1CCC(F)(F)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255144503 1018714591 /nfs/dbraw/zinc/71/45/91/1018714591.db2.gz HKKSFWYPNQZPBS-DAXSKMNVSA-N 1 2 348.437 3.670 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419353996 1018784333 /nfs/dbraw/zinc/78/43/33/1018784333.db2.gz CPAJEFJXEDBAKN-DZGCQCFKSA-N 1 2 339.505 3.521 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419353996 1018784343 /nfs/dbraw/zinc/78/43/43/1018784343.db2.gz CPAJEFJXEDBAKN-DZGCQCFKSA-N 1 2 339.505 3.521 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000052247661 1018790846 /nfs/dbraw/zinc/79/08/46/1018790846.db2.gz WASHWNOMRMHQRC-GOSISDBHSA-N 1 2 345.826 3.700 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000052247661 1018790859 /nfs/dbraw/zinc/79/08/59/1018790859.db2.gz WASHWNOMRMHQRC-GOSISDBHSA-N 1 2 345.826 3.700 20 0 EHADLO CSCc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000052410106 1018797509 /nfs/dbraw/zinc/79/75/09/1018797509.db2.gz DHRNYLLOCKSYCO-UHFFFAOYSA-N 1 2 346.521 3.569 20 0 EHADLO CCOC(=O)NC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000166684588 1018916843 /nfs/dbraw/zinc/91/68/43/1018916843.db2.gz SGKKSSMUFZEKIC-UHFFFAOYSA-N 1 2 345.468 3.521 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCSC[C@@H]2C2CCC2)no1 ZINC000419372664 1018954724 /nfs/dbraw/zinc/95/47/24/1018954724.db2.gz LBXNKLVIYGWEKR-MRXNPFEDSA-N 1 2 329.469 3.763 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCSC[C@@H]2C2CCC2)no1 ZINC000419372664 1018954736 /nfs/dbraw/zinc/95/47/36/1018954736.db2.gz LBXNKLVIYGWEKR-MRXNPFEDSA-N 1 2 329.469 3.763 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766307 1018961944 /nfs/dbraw/zinc/96/19/44/1018961944.db2.gz NDMPUZHVTHMOCI-WQLSENKSSA-N 1 2 349.887 3.578 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCSC[C@@H]2C2CCC2)nc2ccc(Cl)cc12 ZINC000419373052 1018965419 /nfs/dbraw/zinc/96/54/19/1018965419.db2.gz MAOPEUZLHDFPHP-OAHLLOKOSA-N 1 2 349.887 3.706 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCSC[C@@H]2C2CCC2)nc2ccc(Cl)cc12 ZINC000419373052 1018965456 /nfs/dbraw/zinc/96/54/56/1018965456.db2.gz MAOPEUZLHDFPHP-OAHLLOKOSA-N 1 2 349.887 3.706 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1F)c1ccccc1 ZINC000513091347 1018993008 /nfs/dbraw/zinc/99/30/08/1018993008.db2.gz ZPPARLGRFFYYBT-GOSISDBHSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F)c1ccccc1 ZINC000513091347 1018993020 /nfs/dbraw/zinc/99/30/20/1018993020.db2.gz ZPPARLGRFFYYBT-GOSISDBHSA-N 1 2 344.405 3.749 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000255194124 1019011191 /nfs/dbraw/zinc/01/11/91/1019011191.db2.gz PPWOIBMNMYXWJN-WMXNSBIJSA-N 1 2 341.455 3.526 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cc4nnc(C5CC5)o4)CC3)oc21 ZINC000548077999 1019023232 /nfs/dbraw/zinc/02/32/32/1019023232.db2.gz DPPYYSZKCHVFAP-UHFFFAOYSA-N 1 2 338.411 3.776 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc(C2CC2)ns1 ZINC000092658915 1032806600 /nfs/dbraw/zinc/80/66/00/1032806600.db2.gz QLTVIGSJAVOGAZ-UHFFFAOYSA-N 1 2 343.500 3.553 20 0 EHADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000476079846 1032815098 /nfs/dbraw/zinc/81/50/98/1032815098.db2.gz MDZAYPPQXUTTHA-GOEBONIOSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000030217933 1019240982 /nfs/dbraw/zinc/24/09/82/1019240982.db2.gz NLBZOFZHGLTQDD-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052910105 1019305916 /nfs/dbraw/zinc/30/59/16/1019305916.db2.gz NYRRSLHJCQITFJ-UHFFFAOYSA-N 1 2 330.391 3.774 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccccc1F)[C@@H]2C ZINC000580416336 1019335118 /nfs/dbraw/zinc/33/51/18/1019335118.db2.gz DELHUSPSHRNGAZ-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccccc1F)[C@@H]2C ZINC000580416336 1019335137 /nfs/dbraw/zinc/33/51/37/1019335137.db2.gz DELHUSPSHRNGAZ-UONOGXRCSA-N 1 2 342.414 3.781 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CC[S@@](=O)C(C)(C)CC3)o2)cc1 ZINC000449571384 1032825958 /nfs/dbraw/zinc/82/59/58/1032825958.db2.gz KEJHSARBMYRFPO-HSZRJFAPSA-N 1 2 331.481 3.988 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CC[S@@](=O)C(C)(C)CC3)o2)cc1 ZINC000449571384 1032825973 /nfs/dbraw/zinc/82/59/73/1032825973.db2.gz KEJHSARBMYRFPO-HSZRJFAPSA-N 1 2 331.481 3.988 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000580447726 1019376783 /nfs/dbraw/zinc/37/67/83/1019376783.db2.gz QIBCLMGLRHNXCU-LSDHHAIUSA-N 1 2 325.456 3.560 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000580447726 1019376794 /nfs/dbraw/zinc/37/67/94/1019376794.db2.gz QIBCLMGLRHNXCU-LSDHHAIUSA-N 1 2 325.456 3.560 20 0 EHADLO Cc1cnc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)nc1 ZINC000340704749 1019502055 /nfs/dbraw/zinc/50/20/55/1019502055.db2.gz CUHLJHJEFKEUPC-UHFFFAOYSA-N 1 2 336.414 3.564 20 0 EHADLO Cc1cnc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)nc1 ZINC000340704749 1019502068 /nfs/dbraw/zinc/50/20/68/1019502068.db2.gz CUHLJHJEFKEUPC-UHFFFAOYSA-N 1 2 336.414 3.564 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1c(O)cccc1Cl ZINC000754492027 1019540364 /nfs/dbraw/zinc/54/03/64/1019540364.db2.gz CQMAUXLRUQYOOV-UHFFFAOYSA-N 1 2 328.755 3.588 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433755546 1019570017 /nfs/dbraw/zinc/57/00/17/1019570017.db2.gz HOWGLEIAAPMYKM-CHWSQXEVSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433755546 1019570033 /nfs/dbraw/zinc/57/00/33/1019570033.db2.gz HOWGLEIAAPMYKM-CHWSQXEVSA-N 1 2 328.382 3.857 20 0 EHADLO CN(C)c1cc(COC(=O)c2scnc2C2CCCC2)cc[nH+]1 ZINC000760307641 1032840173 /nfs/dbraw/zinc/84/01/73/1032840173.db2.gz VLEOKBGYZOJJBG-UHFFFAOYSA-N 1 2 331.441 3.619 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ncco1 ZINC000924901784 1019594085 /nfs/dbraw/zinc/59/40/85/1019594085.db2.gz UZQJXORUNOOESB-AWEZNQCLSA-N 1 2 345.443 3.593 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000433782146 1019605267 /nfs/dbraw/zinc/60/52/67/1019605267.db2.gz ZHIKMKRTDHMUDW-GOSISDBHSA-N 1 2 340.471 3.563 20 0 EHADLO CC(C)c1cccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000433782146 1019605283 /nfs/dbraw/zinc/60/52/83/1019605283.db2.gz ZHIKMKRTDHMUDW-GOSISDBHSA-N 1 2 340.471 3.563 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000513398317 1019606046 /nfs/dbraw/zinc/60/60/46/1019606046.db2.gz QUYMJQRHINMVMO-UHFFFAOYSA-N 1 2 342.462 3.850 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000513398317 1019606054 /nfs/dbraw/zinc/60/60/54/1019606054.db2.gz QUYMJQRHINMVMO-UHFFFAOYSA-N 1 2 342.462 3.850 20 0 EHADLO Fc1ccccc1CC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433785645 1019616365 /nfs/dbraw/zinc/61/63/65/1019616365.db2.gz SSSFFNYHKQDUTC-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO Fc1ccccc1CC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433785645 1019616379 /nfs/dbraw/zinc/61/63/79/1019616379.db2.gz SSSFFNYHKQDUTC-UHFFFAOYSA-N 1 2 340.446 3.675 20 0 EHADLO Cc1cc(C)n(-c2ccc(CCNc3[nH+]c(C)nc4[nH]ccc43)cc2)n1 ZINC000433789517 1019624265 /nfs/dbraw/zinc/62/42/65/1019624265.db2.gz NGRKSXPOBAYBHQ-UHFFFAOYSA-N 1 2 346.438 3.675 20 0 EHADLO CC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc(Cl)c1 ZINC000047958290 1019696485 /nfs/dbraw/zinc/69/64/85/1019696485.db2.gz FYLQTGYFBDUNQD-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1cccc(Cl)c1 ZINC000047958290 1019696499 /nfs/dbraw/zinc/69/64/99/1019696499.db2.gz FYLQTGYFBDUNQD-UHFFFAOYSA-N 1 2 337.872 3.636 20 0 EHADLO COCC[C@@H]1COCC[N@@H+]1Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000656259612 1019732438 /nfs/dbraw/zinc/73/24/38/1019732438.db2.gz BNKIVLZSYYOJGY-QGZVFWFLSA-N 1 2 346.496 3.664 20 0 EHADLO COCC[C@@H]1COCC[N@H+]1Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000656259612 1019732454 /nfs/dbraw/zinc/73/24/54/1019732454.db2.gz BNKIVLZSYYOJGY-QGZVFWFLSA-N 1 2 346.496 3.664 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001203399324 1019793510 /nfs/dbraw/zinc/79/35/10/1019793510.db2.gz UEZPDVDOPHKCOU-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001203399324 1019793521 /nfs/dbraw/zinc/79/35/21/1019793521.db2.gz UEZPDVDOPHKCOU-ZDUSSCGKSA-N 1 2 325.733 3.758 20 0 EHADLO CSc1c(F)cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1F ZINC000345102264 1019937659 /nfs/dbraw/zinc/93/76/59/1019937659.db2.gz GPOLDORRSGCRCR-UHFFFAOYSA-N 1 2 346.362 3.520 20 0 EHADLO Fc1ccc2nc(CN3CC[NH+](Cc4ccsc4)CC3)sc2c1 ZINC000580758165 1019987585 /nfs/dbraw/zinc/98/75/85/1019987585.db2.gz GGJSLDCWEZYFDO-UHFFFAOYSA-N 1 2 347.484 3.815 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000048043344 1020043068 /nfs/dbraw/zinc/04/30/68/1020043068.db2.gz TYGJWWOPIRENBH-RVKKMQEKSA-N 1 2 330.472 3.626 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C2CC2)o1 ZINC000048043344 1020043079 /nfs/dbraw/zinc/04/30/79/1020043079.db2.gz TYGJWWOPIRENBH-RVKKMQEKSA-N 1 2 330.472 3.626 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528826805 1032870668 /nfs/dbraw/zinc/87/06/68/1032870668.db2.gz YTLZWCVVZLCHDA-RYUDHWBXSA-N 1 2 335.810 3.860 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000528825995 1032872144 /nfs/dbraw/zinc/87/21/44/1032872144.db2.gz SLUKLOJNQIBCDS-VHSXEESVSA-N 1 2 339.773 3.691 20 0 EHADLO Cc1ccc2occ(CC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000528828878 1032877049 /nfs/dbraw/zinc/87/70/49/1032877049.db2.gz PBQHNPOAXJCYAC-CRAIPNDOSA-N 1 2 337.423 3.590 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000528830157 1032879795 /nfs/dbraw/zinc/87/97/95/1032879795.db2.gz RXKYWGRJNNPJNN-BXUZGUMPSA-N 1 2 337.345 3.683 20 0 EHADLO Clc1ccc(COC2CC[NH+](Cc3ncc[nH]3)CC2)cc1Cl ZINC000155899262 1020188458 /nfs/dbraw/zinc/18/84/58/1020188458.db2.gz ZGBPJOHDJBZBKM-UHFFFAOYSA-N 1 2 340.254 3.898 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C/C1CCCC1 ZINC000843559055 1020230844 /nfs/dbraw/zinc/23/08/44/1020230844.db2.gz STGPYNLSOGVWPS-ZHACJKMWSA-N 1 2 341.499 3.893 20 0 EHADLO C[C@@H]1CCC[C@H]1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345417805 1020232674 /nfs/dbraw/zinc/23/26/74/1020232674.db2.gz QDACITBKHABBMC-WBVHZDCISA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000280252554 1020246943 /nfs/dbraw/zinc/24/69/43/1020246943.db2.gz LYMOQNHPEGVDGO-CQSZACIVSA-N 1 2 346.862 3.514 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CSC[C@H]1CCCCO1 ZINC000280323771 1020289689 /nfs/dbraw/zinc/28/96/89/1020289689.db2.gz VBGVUKFBGXVCOM-OAHLLOKOSA-N 1 2 345.468 3.626 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000280343969 1020302654 /nfs/dbraw/zinc/30/26/54/1020302654.db2.gz WORLIXTVTHFJQJ-MRXNPFEDSA-N 1 2 332.407 3.839 20 0 EHADLO CN(C)c1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000345556961 1020359139 /nfs/dbraw/zinc/35/91/39/1020359139.db2.gz FDHYVRSKNOOHAH-UHFFFAOYSA-N 1 2 345.406 3.714 20 0 EHADLO OC[C@H]([NH2+]Cc1ccccc1F)c1ccccc1OC(F)(F)F ZINC000280413598 1020373733 /nfs/dbraw/zinc/37/37/33/1020373733.db2.gz YQVJAMHQRKXISB-AWEZNQCLSA-N 1 2 329.293 3.548 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)CCc1c[nH+]cn1C ZINC000280423405 1020379683 /nfs/dbraw/zinc/37/96/83/1020379683.db2.gz ZHANCGSZLGNZTM-UHFFFAOYSA-N 1 2 333.863 3.835 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)OCCCn1cc[nH+]c1 ZINC000785034666 1020418430 /nfs/dbraw/zinc/41/84/30/1020418430.db2.gz QYVXRKGXIFQGQG-UHFFFAOYSA-N 1 2 325.412 3.741 20 0 EHADLO CCO[C@@H](C)c1nc(CN(C)Cc2c[nH+]c3ccc(C)cn23)cs1 ZINC000093737647 1032902243 /nfs/dbraw/zinc/90/22/43/1032902243.db2.gz FWBHIQZVUHOHGE-AWEZNQCLSA-N 1 2 344.484 3.829 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2occc2-c2ccccc2)c1C ZINC000050770997 1020482396 /nfs/dbraw/zinc/48/23/96/1020482396.db2.gz GNEHSHPBAOZWCE-UHFFFAOYSA-N 1 2 336.391 3.897 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000513698138 1020488130 /nfs/dbraw/zinc/48/81/30/1020488130.db2.gz WXEMXDXFLKWUJQ-MBOZVWFJSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C)C[C@H](C)O1 ZINC000340869843 1020490350 /nfs/dbraw/zinc/49/03/50/1020490350.db2.gz AEABHNOFKAWRSJ-IMBTUZDBSA-N 1 2 342.483 3.837 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C)C[C@H](C)O1 ZINC000340869843 1020490357 /nfs/dbraw/zinc/49/03/57/1020490357.db2.gz AEABHNOFKAWRSJ-IMBTUZDBSA-N 1 2 342.483 3.837 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@]1=O ZINC000581228666 1020553860 /nfs/dbraw/zinc/55/38/60/1020553860.db2.gz ZENQZQXEIOYBDJ-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[S@]1=O ZINC000581228666 1020553866 /nfs/dbraw/zinc/55/38/66/1020553866.db2.gz ZENQZQXEIOYBDJ-WHEQGISXSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481958 1032910847 /nfs/dbraw/zinc/91/08/47/1032910847.db2.gz CILMHGYTXZWQDA-OYLFLEFRSA-N 1 2 345.512 3.614 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602481958 1032910861 /nfs/dbraw/zinc/91/08/61/1032910861.db2.gz CILMHGYTXZWQDA-OYLFLEFRSA-N 1 2 345.512 3.614 20 0 EHADLO c1ccc2nc(CCNc3cc(N4CCCCC4)nc[nH+]3)ccc2c1 ZINC000340904516 1020572842 /nfs/dbraw/zinc/57/28/42/1020572842.db2.gz SQMKUIPTVMVMHC-UHFFFAOYSA-N 1 2 333.439 3.670 20 0 EHADLO c1ccc2nc(CCNc3cc(N4CCCCC4)[nH+]cn3)ccc2c1 ZINC000340904516 1020572846 /nfs/dbraw/zinc/57/28/46/1020572846.db2.gz SQMKUIPTVMVMHC-UHFFFAOYSA-N 1 2 333.439 3.670 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000345888055 1020576336 /nfs/dbraw/zinc/57/63/36/1020576336.db2.gz WCPXJSSMACHRFQ-VQIMIIECSA-N 1 2 325.456 3.764 20 0 EHADLO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1cc[nH]n1 ZINC000066973581 1020589530 /nfs/dbraw/zinc/58/95/30/1020589530.db2.gz IXEVNXMWKXLCPF-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3sc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000581252512 1020593500 /nfs/dbraw/zinc/59/35/00/1020593500.db2.gz WHJIBBJMVQMRPW-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cn1cc(C[N@H+]2CCc3sc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000581252512 1020593509 /nfs/dbraw/zinc/59/35/09/1020593509.db2.gz WHJIBBJMVQMRPW-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cc1cc(C)cc(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000345901747 1020598335 /nfs/dbraw/zinc/59/83/35/1020598335.db2.gz KTCFUYIVTIDVPU-UHFFFAOYSA-N 1 2 331.379 3.525 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280746981 1020610888 /nfs/dbraw/zinc/61/08/88/1020610888.db2.gz CKGLBAJVQFPXJA-LBPRGKRZSA-N 1 2 339.361 3.591 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000126370339 1020617900 /nfs/dbraw/zinc/61/79/00/1020617900.db2.gz PVCZIBWGJJOMQF-OAQYLSRUSA-N 1 2 333.435 3.754 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000126370339 1020617904 /nfs/dbraw/zinc/61/79/04/1020617904.db2.gz PVCZIBWGJJOMQF-OAQYLSRUSA-N 1 2 333.435 3.754 20 0 EHADLO CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000340927579 1020632199 /nfs/dbraw/zinc/63/21/99/1020632199.db2.gz GKHCZZAOWOOUAY-CQSZACIVSA-N 1 2 331.847 3.631 20 0 EHADLO Cc1cc(O)ccc1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000276129029 1020672703 /nfs/dbraw/zinc/67/27/03/1020672703.db2.gz AFMQJVBIRUCZIN-UHFFFAOYSA-N 1 2 346.456 3.787 20 0 EHADLO COc1ccc(SCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000340974718 1020721629 /nfs/dbraw/zinc/72/16/29/1020721629.db2.gz OINIMOFWTUMIID-UHFFFAOYSA-N 1 2 327.409 3.611 20 0 EHADLO FC(F)SCc1ccc(C[NH2+]Cc2cn3ccsc3n2)o1 ZINC000069062074 1020756457 /nfs/dbraw/zinc/75/64/57/1020756457.db2.gz SJFJPDPIZKNTHT-UHFFFAOYSA-N 1 2 329.397 3.734 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000292462230 1020772604 /nfs/dbraw/zinc/77/26/04/1020772604.db2.gz XZJKLOPBQBJZTH-DXRVJIQQSA-N 1 2 338.455 3.588 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000581407977 1020813261 /nfs/dbraw/zinc/81/32/61/1020813261.db2.gz YGPYRYZHQVCZSV-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000581407977 1020813266 /nfs/dbraw/zinc/81/32/66/1020813266.db2.gz YGPYRYZHQVCZSV-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1cc2c(s1)N(c1ccc(=S)[nH]n1)c1ccccc1NC2=[NH2+] ZINC001167460695 1020882066 /nfs/dbraw/zinc/88/20/66/1020882066.db2.gz SGIMKBLYCLDQEN-UHFFFAOYSA-N 1 2 339.449 3.955 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000341035675 1020894477 /nfs/dbraw/zinc/89/44/77/1020894477.db2.gz PNCWGAVPNWMGTQ-LJQANCHMSA-N 1 2 344.434 3.733 20 0 EHADLO Cc1cc2c(s1)N(c1ccc(=O)n(C)c1)c1ccccc1NC2=[NH2+] ZINC001167463531 1020914788 /nfs/dbraw/zinc/91/47/88/1020914788.db2.gz VQRLIBXAMNKFAI-UHFFFAOYSA-N 1 2 336.420 3.575 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891402505 1020923396 /nfs/dbraw/zinc/92/33/96/1020923396.db2.gz YNNZVZRCTNPRBY-AWEZNQCLSA-N 1 2 339.443 3.746 20 0 EHADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891402505 1020923402 /nfs/dbraw/zinc/92/34/02/1020923402.db2.gz YNNZVZRCTNPRBY-AWEZNQCLSA-N 1 2 339.443 3.746 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(CC(=O)N(C)c3ccccc3)cc2)n1C ZINC000341143976 1021011216 /nfs/dbraw/zinc/01/12/16/1021011216.db2.gz JULFVQHXOHLRJC-UHFFFAOYSA-N 1 2 348.450 3.546 20 0 EHADLO Clc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000276308553 1021014017 /nfs/dbraw/zinc/01/40/17/1021014017.db2.gz RWTICWICDZIKNQ-UHFFFAOYSA-N 1 2 341.640 3.536 20 0 EHADLO COc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000581512387 1021030833 /nfs/dbraw/zinc/03/08/33/1021030833.db2.gz YZCGIADTRKTCDT-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000581512387 1021030842 /nfs/dbraw/zinc/03/08/42/1021030842.db2.gz YZCGIADTRKTCDT-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO Cc1cc(CNC(=O)Nc2cc(-c3ccnn3C)ccc2C)cc(C)[nH+]1 ZINC000581541814 1021067811 /nfs/dbraw/zinc/06/78/11/1021067811.db2.gz GGQATQAHRAMUFD-UHFFFAOYSA-N 1 2 349.438 3.729 20 0 EHADLO Cc1nc(N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc[nH+]1 ZINC000593508496 1032952342 /nfs/dbraw/zinc/95/23/42/1032952342.db2.gz GZHPFVNZTCFTDU-HZPDHXFCSA-N 1 2 325.412 3.767 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510434394 1021102035 /nfs/dbraw/zinc/10/20/35/1021102035.db2.gz MXTDGIPOSCBREV-AZUAARDMSA-N 1 2 349.434 3.588 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510434394 1021102037 /nfs/dbraw/zinc/10/20/37/1021102037.db2.gz MXTDGIPOSCBREV-AZUAARDMSA-N 1 2 349.434 3.588 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1C ZINC000606992140 1032955069 /nfs/dbraw/zinc/95/50/69/1032955069.db2.gz HYRIBVZZGKBKLR-VIKVFOODSA-N 1 2 333.476 3.673 20 0 EHADLO COc1ncncc1C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000647166197 1021124227 /nfs/dbraw/zinc/12/42/27/1021124227.db2.gz BWYSSMRYIDZUAH-QMMMGPOBSA-N 1 2 330.190 3.782 20 0 EHADLO Cc1cc(CNc2cccc(N3CCOC3=O)c2)c2c([nH+]1)CCCC2 ZINC000891433923 1021126260 /nfs/dbraw/zinc/12/62/60/1021126260.db2.gz MKOUZSMKVCMVNK-UHFFFAOYSA-N 1 2 337.423 3.838 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000076053931 1021205669 /nfs/dbraw/zinc/20/56/69/1021205669.db2.gz YVFFUFZFUCSTEG-RDJZCZTQSA-N 1 2 344.434 3.835 20 0 EHADLO COc1ccc2nc(C[N@@H+]3Cc4c[nH]nc4CC(C)(C)C3)sc2c1 ZINC000664867313 1021219914 /nfs/dbraw/zinc/21/99/14/1021219914.db2.gz WBNWEHBLOLIBNF-UHFFFAOYSA-N 1 2 342.468 3.613 20 0 EHADLO COc1ccc2nc(C[N@H+]3Cc4c[nH]nc4CC(C)(C)C3)sc2c1 ZINC000664867313 1021219920 /nfs/dbraw/zinc/21/99/20/1021219920.db2.gz WBNWEHBLOLIBNF-UHFFFAOYSA-N 1 2 342.468 3.613 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccsc1C)CC3 ZINC000507370581 1021225561 /nfs/dbraw/zinc/22/55/61/1021225561.db2.gz JMZUBZMKJOVYRL-UHFFFAOYSA-N 1 2 340.448 3.883 20 0 EHADLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccsc1C)CC3 ZINC000507370581 1021225573 /nfs/dbraw/zinc/22/55/73/1021225573.db2.gz JMZUBZMKJOVYRL-UHFFFAOYSA-N 1 2 340.448 3.883 20 0 EHADLO CCOc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC)c2ccccc2Cl)cc1 ZINC000426310324 1021232571 /nfs/dbraw/zinc/23/25/71/1021232571.db2.gz NIMIURWUVJTEBS-UGSOOPFHSA-N 1 2 346.858 3.552 20 0 EHADLO CC1(C)C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507398738 1021233679 /nfs/dbraw/zinc/23/36/79/1021233679.db2.gz DJEJHWYOHREAED-INIZCTEOSA-N 1 2 331.847 3.611 20 0 EHADLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000518509452 1021257655 /nfs/dbraw/zinc/25/76/55/1021257655.db2.gz SZDJCYVAHJVFQH-MRXNPFEDSA-N 1 2 343.471 3.545 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000507492880 1021307073 /nfs/dbraw/zinc/30/70/73/1021307073.db2.gz GANLNSDCMQUDMZ-CYBMUJFWSA-N 1 2 330.428 3.521 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1c(C(F)(F)F)cnn1C ZINC000656772076 1021315742 /nfs/dbraw/zinc/31/57/42/1021315742.db2.gz MXIQETMWLMUFQJ-UHFFFAOYSA-N 1 2 341.312 3.560 20 0 EHADLO COc1cccc(Nc2ccc(NCc3cc4n(n3)CCC4)[nH+]c2)c1 ZINC000656781182 1021319324 /nfs/dbraw/zinc/31/93/24/1021319324.db2.gz XPEGCSLFUFXSBP-UHFFFAOYSA-N 1 2 335.411 3.589 20 0 EHADLO COc1ccc(CNc2c[nH+]cc3c2CCCC3)c(OC)c1OC ZINC000656777049 1021328237 /nfs/dbraw/zinc/32/82/37/1021328237.db2.gz YVLSQRWPTHDIPM-UHFFFAOYSA-N 1 2 328.412 3.598 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc(OC)c1 ZINC000518596244 1021342686 /nfs/dbraw/zinc/34/26/86/1021342686.db2.gz QROMEENDGGJGEM-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc(OC)c1 ZINC000518596244 1021342704 /nfs/dbraw/zinc/34/27/04/1021342704.db2.gz QROMEENDGGJGEM-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO CC[N@H+](Cc1ccccc1Br)C[C@@](C)(O)C(F)(F)F ZINC000439317158 1021345342 /nfs/dbraw/zinc/34/53/42/1021345342.db2.gz FHSLSOHGUIIEJW-GFCCVEGCSA-N 1 2 340.183 3.584 20 0 EHADLO CC[N@@H+](Cc1ccccc1Br)C[C@@](C)(O)C(F)(F)F ZINC000439317158 1021345359 /nfs/dbraw/zinc/34/53/59/1021345359.db2.gz FHSLSOHGUIIEJW-GFCCVEGCSA-N 1 2 340.183 3.584 20 0 EHADLO C[C@@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cn1cc[nH+]c1 ZINC000607040756 1032972508 /nfs/dbraw/zinc/97/25/08/1032972508.db2.gz BLLWRRIVJPIPMR-AWEZNQCLSA-N 1 2 331.485 3.670 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000341294289 1021368390 /nfs/dbraw/zinc/36/83/90/1021368390.db2.gz RRLXQLGFGFYQRZ-NEPJUHHUSA-N 1 2 346.377 3.845 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H](C)C1 ZINC000425652620 1021379901 /nfs/dbraw/zinc/37/99/01/1021379901.db2.gz OAWKGNRPINVCLZ-HZPDHXFCSA-N 1 2 342.443 3.614 20 0 EHADLO Clc1ccc(OCC2CC2)c(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000375641153 1021386657 /nfs/dbraw/zinc/38/66/57/1021386657.db2.gz QCHMYWPBKLHYIJ-UHFFFAOYSA-N 1 2 346.862 3.627 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874631 1021394915 /nfs/dbraw/zinc/39/49/15/1021394915.db2.gz NGBBTIVAWQMLJI-ZDUSSCGKSA-N 1 2 330.476 3.851 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874631 1021394930 /nfs/dbraw/zinc/39/49/30/1021394930.db2.gz NGBBTIVAWQMLJI-ZDUSSCGKSA-N 1 2 330.476 3.851 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1c(F)cccc1F ZINC000341309566 1021398181 /nfs/dbraw/zinc/39/81/81/1021398181.db2.gz YBESALFNYPXAEK-FZKQIMNGSA-N 1 2 344.405 3.809 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C=CCCC3)CC2)s1 ZINC000427451907 1021408206 /nfs/dbraw/zinc/40/82/06/1021408206.db2.gz HFSCJISLLVHBOF-INIZCTEOSA-N 1 2 332.513 3.701 20 0 EHADLO CC(C)(C(=O)N1CCC(CCc2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000469442124 1021421478 /nfs/dbraw/zinc/42/14/78/1021421478.db2.gz DFWIHUDWIVHSTB-UHFFFAOYSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3cscn3)C2=O)c(C)c1 ZINC000276472320 1021433218 /nfs/dbraw/zinc/43/32/18/1021433218.db2.gz BMPFJXTWEGJXPT-LSDHHAIUSA-N 1 2 329.469 3.524 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3cscn3)C2=O)c(C)c1 ZINC000276472308 1021433965 /nfs/dbraw/zinc/43/39/65/1021433965.db2.gz BMPFJXTWEGJXPT-CABCVRRESA-N 1 2 329.469 3.524 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000426381227 1021439204 /nfs/dbraw/zinc/43/92/04/1021439204.db2.gz VZFKPXKYBRNKNU-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000426381227 1021439211 /nfs/dbraw/zinc/43/92/11/1021439211.db2.gz VZFKPXKYBRNKNU-KUHUBIRLSA-N 1 2 343.423 3.591 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H](C(C)(C)C)C3)[nH+]c12 ZINC000684376297 1021446386 /nfs/dbraw/zinc/44/63/86/1021446386.db2.gz IKIJOKPZTPYWMI-INIZCTEOSA-N 1 2 342.487 3.653 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H](C(C)(C)C)C3)[nH+]c12 ZINC000684376298 1021447096 /nfs/dbraw/zinc/44/70/96/1021447096.db2.gz IKIJOKPZTPYWMI-MRXNPFEDSA-N 1 2 342.487 3.653 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000276479221 1021459746 /nfs/dbraw/zinc/45/97/46/1021459746.db2.gz FQZHMQODNUOBJK-UHFFFAOYSA-N 1 2 339.361 3.622 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000507705221 1021461045 /nfs/dbraw/zinc/46/10/45/1021461045.db2.gz UBYYOJGYWKNDEQ-AWEZNQCLSA-N 1 2 334.385 3.983 20 0 EHADLO CO[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C1CCCC1 ZINC000664753791 1021471999 /nfs/dbraw/zinc/47/19/99/1021471999.db2.gz FDJLWNUIDOFSJF-KRWDZBQOSA-N 1 2 338.411 3.859 20 0 EHADLO C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000439492975 1021482648 /nfs/dbraw/zinc/48/26/48/1021482648.db2.gz CNCBCYJNNBWVFY-HZPDHXFCSA-N 1 2 342.443 3.520 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCc1ccc(Sc2ccccc2)cc1 ZINC000437038630 1021487567 /nfs/dbraw/zinc/48/75/67/1021487567.db2.gz PTCSNSLXXVDAFR-UHFFFAOYSA-N 1 2 337.448 3.741 20 0 EHADLO C[C@@]1([NH2+]Cc2ccn(-c3ccccc3F)n2)CCOc2ccccc21 ZINC000933369654 1021489215 /nfs/dbraw/zinc/48/92/15/1021489215.db2.gz ISRJFFQFMRJXIB-HXUWFJFHSA-N 1 2 337.398 3.799 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000607110518 1032983418 /nfs/dbraw/zinc/98/34/18/1032983418.db2.gz HQQXZGMWXTZZFW-OALUTQOASA-N 1 2 325.456 3.877 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1C(F)F ZINC000425691181 1021493902 /nfs/dbraw/zinc/49/39/02/1021493902.db2.gz COGLTSNSUTZLTI-UHFFFAOYSA-N 1 2 334.370 3.821 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000288458100 1021498096 /nfs/dbraw/zinc/49/80/96/1021498096.db2.gz UCGZHJTYVURNET-UHFFFAOYSA-N 1 2 335.810 3.574 20 0 EHADLO Cc1cccc(COc2ccc([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)cc2)c1 ZINC001143565977 1021501764 /nfs/dbraw/zinc/50/17/64/1021501764.db2.gz SRFHKLVETGZMFJ-MRXNPFEDSA-N 1 2 349.434 3.717 20 0 EHADLO CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000607094144 1032985683 /nfs/dbraw/zinc/98/56/83/1032985683.db2.gz ONDJPEKXKPSSGA-ZWKOTPCHSA-N 1 2 347.503 3.640 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1csc(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC000894866751 1021529884 /nfs/dbraw/zinc/52/98/84/1021529884.db2.gz AWEWZQOVCFHWAW-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1csc(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC000894866751 1021529890 /nfs/dbraw/zinc/52/98/90/1021529890.db2.gz AWEWZQOVCFHWAW-VIFPVBQESA-N 1 2 338.395 3.572 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cccc(Cl)c1 ZINC000139538244 1032986620 /nfs/dbraw/zinc/98/66/20/1032986620.db2.gz QBYKWKQWJKCTRI-UHFFFAOYSA-N 1 2 342.826 3.773 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cccc(Cl)c1 ZINC000139538244 1032986629 /nfs/dbraw/zinc/98/66/29/1032986629.db2.gz QBYKWKQWJKCTRI-UHFFFAOYSA-N 1 2 342.826 3.773 20 0 EHADLO CCCCC[C@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664605065 1021534147 /nfs/dbraw/zinc/53/41/47/1021534147.db2.gz JTQJVXWOBXYIAG-KRWDZBQOSA-N 1 2 346.519 3.767 20 0 EHADLO CCCCC[C@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664605065 1021534156 /nfs/dbraw/zinc/53/41/56/1021534156.db2.gz JTQJVXWOBXYIAG-KRWDZBQOSA-N 1 2 346.519 3.767 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(SC(F)(F)F)c1 ZINC000894871737 1021551205 /nfs/dbraw/zinc/55/12/05/1021551205.db2.gz BACULHRRTRXKGQ-NSHDSACASA-N 1 2 343.374 3.763 20 0 EHADLO CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000516574318 1021559422 /nfs/dbraw/zinc/55/94/22/1021559422.db2.gz MZIIHVRNGZARSO-YQVWRLOYSA-N 1 2 325.456 3.877 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc(-c3ccoc3C)o2)c1C ZINC000078708930 1021595513 /nfs/dbraw/zinc/59/55/13/1021595513.db2.gz XGDUJHSZVZVXKF-UHFFFAOYSA-N 1 2 331.397 3.951 20 0 EHADLO C[C@@]1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC=CCC1 ZINC000519748856 1021657964 /nfs/dbraw/zinc/65/79/64/1021657964.db2.gz YDANVQZOXGZMIC-QGZVFWFLSA-N 1 2 334.489 3.749 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)c(OC)n1 ZINC000581755620 1021694424 /nfs/dbraw/zinc/69/44/24/1021694424.db2.gz VRDHSOCKYQNJQA-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO CCc1cncc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000519798335 1021704428 /nfs/dbraw/zinc/70/44/28/1021704428.db2.gz PYHJQZKZVCFVMN-HXUWFJFHSA-N 1 2 348.450 3.629 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289528598 1021755446 /nfs/dbraw/zinc/75/54/46/1021755446.db2.gz LTUJDZFBPMZLHF-WMZOPIPTSA-N 1 2 345.874 3.760 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289528598 1021755464 /nfs/dbraw/zinc/75/54/64/1021755464.db2.gz LTUJDZFBPMZLHF-WMZOPIPTSA-N 1 2 345.874 3.760 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439827758 1021761404 /nfs/dbraw/zinc/76/14/04/1021761404.db2.gz CHNUTJAYNKHRGE-KRWDZBQOSA-N 1 2 325.456 3.520 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000593695721 1033007458 /nfs/dbraw/zinc/00/74/58/1033007458.db2.gz AMRGUCJESPHROO-FQEVSTJZSA-N 1 2 349.434 3.600 20 0 EHADLO CCC1(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000440839872 1021815460 /nfs/dbraw/zinc/81/54/60/1021815460.db2.gz DFZKWCWSZYQRCG-GOSISDBHSA-N 1 2 340.471 3.731 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000516942281 1021878870 /nfs/dbraw/zinc/87/88/70/1021878870.db2.gz LMYYLOIMVXOAAE-OAQYLSRUSA-N 1 2 335.447 3.842 20 0 EHADLO Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000516942281 1021878878 /nfs/dbraw/zinc/87/88/78/1021878878.db2.gz LMYYLOIMVXOAAE-OAQYLSRUSA-N 1 2 335.447 3.842 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc(Br)s2)cc1C ZINC000289959292 1021886708 /nfs/dbraw/zinc/88/67/08/1021886708.db2.gz IIUCBKLERAKMBZ-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc(Br)s2)cc1C ZINC000289959292 1021886726 /nfs/dbraw/zinc/88/67/26/1021886726.db2.gz IIUCBKLERAKMBZ-UHFFFAOYSA-N 1 2 341.274 3.855 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000520053637 1021893156 /nfs/dbraw/zinc/89/31/56/1021893156.db2.gz QTJQYOXEWFHEQI-IBGZPJMESA-N 1 2 338.455 3.724 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000519170143 1021908115 /nfs/dbraw/zinc/90/81/15/1021908115.db2.gz NGAAVLVECUXYMN-IAGOWNOFSA-N 1 2 347.503 3.506 20 0 EHADLO CC(C)c1ncc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)s1 ZINC000341442381 1021911922 /nfs/dbraw/zinc/91/19/22/1021911922.db2.gz XCPGGEPEWMJMAD-CYBMUJFWSA-N 1 2 328.840 3.882 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000437523596 1021914309 /nfs/dbraw/zinc/91/43/09/1021914309.db2.gz BRSQOPNIBVDYAM-HZPDHXFCSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000437523596 1021914327 /nfs/dbraw/zinc/91/43/27/1021914327.db2.gz BRSQOPNIBVDYAM-HZPDHXFCSA-N 1 2 338.904 3.947 20 0 EHADLO CO[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188221576 1021937586 /nfs/dbraw/zinc/93/75/86/1021937586.db2.gz OVMYSKGSEFMESX-MSOLQXFVSA-N 1 2 343.377 3.755 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000441042949 1021938544 /nfs/dbraw/zinc/93/85/44/1021938544.db2.gz VTYUDLJSSLXWDA-CRAIPNDOSA-N 1 2 340.471 3.675 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000441042954 1021939254 /nfs/dbraw/zinc/93/92/54/1021939254.db2.gz VTYUDLJSSLXWDA-QAPCUYQASA-N 1 2 340.471 3.675 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000441042951 1021939346 /nfs/dbraw/zinc/93/93/46/1021939346.db2.gz VTYUDLJSSLXWDA-MAUKXSAKSA-N 1 2 340.471 3.675 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000897628000 1033016804 /nfs/dbraw/zinc/01/68/04/1033016804.db2.gz ZUGROUIPUWBIKH-RDJZCZTQSA-N 1 2 329.419 3.518 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ncccc1F ZINC001270234783 1021954203 /nfs/dbraw/zinc/95/42/03/1021954203.db2.gz BHWCFNPVKMSNOK-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000517033927 1021959494 /nfs/dbraw/zinc/95/94/94/1021959494.db2.gz PJNPODUEXLYPQO-NSHDSACASA-N 1 2 349.456 3.619 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000073289522 1021979557 /nfs/dbraw/zinc/97/95/57/1021979557.db2.gz CRZDASDOMRAQKU-HNNXBMFYSA-N 1 2 339.361 3.806 20 0 EHADLO COCCOc1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)o1 ZINC000891605737 1022085279 /nfs/dbraw/zinc/08/52/79/1022085279.db2.gz FDNHUTQNKHZNRO-LBPRGKRZSA-N 1 2 325.355 3.776 20 0 EHADLO COCCOc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)o1 ZINC000891605737 1022085292 /nfs/dbraw/zinc/08/52/92/1022085292.db2.gz FDNHUTQNKHZNRO-LBPRGKRZSA-N 1 2 325.355 3.776 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000520283476 1022091601 /nfs/dbraw/zinc/09/16/01/1022091601.db2.gz VKQLNOGLALZZCH-KRWDZBQOSA-N 1 2 340.471 3.983 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449677403 1033023785 /nfs/dbraw/zinc/02/37/85/1033023785.db2.gz AXUSYBYWMHQNCE-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449677403 1033023799 /nfs/dbraw/zinc/02/37/99/1033023799.db2.gz AXUSYBYWMHQNCE-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C2CCCC1CCC2 ZINC000684450079 1022126939 /nfs/dbraw/zinc/12/69/39/1022126939.db2.gz VTWKWQRYLGLFNW-UHFFFAOYSA-N 1 2 333.382 3.557 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000506133504 1022153530 /nfs/dbraw/zinc/15/35/30/1022153530.db2.gz XCFQVIOJGPMEAK-UHFFFAOYSA-N 1 2 342.487 3.805 20 0 EHADLO COC(=O)c1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000506135914 1022158518 /nfs/dbraw/zinc/15/85/18/1022158518.db2.gz HPFFLPBZTDPAOW-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000506135914 1022158529 /nfs/dbraw/zinc/15/85/29/1022158529.db2.gz HPFFLPBZTDPAOW-UHFFFAOYSA-N 1 2 333.815 3.767 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437826945 1022181743 /nfs/dbraw/zinc/18/17/43/1022181743.db2.gz DUJOBCOMFYMGAE-YJBOKZPZSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437826945 1022181756 /nfs/dbraw/zinc/18/17/56/1022181756.db2.gz DUJOBCOMFYMGAE-YJBOKZPZSA-N 1 2 336.435 3.533 20 0 EHADLO CCCC[C@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000441363006 1022186941 /nfs/dbraw/zinc/18/69/41/1022186941.db2.gz INUBRHMPTMWTNK-RBUKOAKNSA-N 1 2 343.471 3.563 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc(C)cs2)[C@@H](C)C1 ZINC000441381770 1022202815 /nfs/dbraw/zinc/20/28/15/1022202815.db2.gz JKBSTNZCHSWQOQ-INIZCTEOSA-N 1 2 345.512 3.557 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2nc(C)cs2)[C@@H](C)C1 ZINC000441381770 1022202820 /nfs/dbraw/zinc/20/28/20/1022202820.db2.gz JKBSTNZCHSWQOQ-INIZCTEOSA-N 1 2 345.512 3.557 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000891648988 1022209913 /nfs/dbraw/zinc/20/99/13/1022209913.db2.gz XBADJYIGFAMJNF-LJQANCHMSA-N 1 2 331.435 3.793 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000891648988 1022209915 /nfs/dbraw/zinc/20/99/15/1022209915.db2.gz XBADJYIGFAMJNF-LJQANCHMSA-N 1 2 331.435 3.793 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000548307544 1022211204 /nfs/dbraw/zinc/21/12/04/1022211204.db2.gz AIEDROZXYYWRMM-OQPBUACISA-N 1 2 342.390 3.989 20 0 EHADLO CC1(C)C[N@H+](CC(=O)NCCc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000581902247 1022240001 /nfs/dbraw/zinc/24/00/01/1022240001.db2.gz IHIORUOSMZOEKR-SFHVURJKSA-N 1 2 346.471 3.629 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)NCCc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000581902247 1022240010 /nfs/dbraw/zinc/24/00/10/1022240010.db2.gz IHIORUOSMZOEKR-SFHVURJKSA-N 1 2 346.471 3.629 20 0 EHADLO CC[N@H+](Cc1ncn(-c2ccccc2)n1)[C@@H](C)Cc1ccsc1 ZINC000187798128 1022248580 /nfs/dbraw/zinc/24/85/80/1022248580.db2.gz ASJYCPWBZKLAQU-HNNXBMFYSA-N 1 2 326.469 3.782 20 0 EHADLO CC[N@@H+](Cc1ncn(-c2ccccc2)n1)[C@@H](C)Cc1ccsc1 ZINC000187798128 1022248593 /nfs/dbraw/zinc/24/85/93/1022248593.db2.gz ASJYCPWBZKLAQU-HNNXBMFYSA-N 1 2 326.469 3.782 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000894424469 1022268161 /nfs/dbraw/zinc/26/81/61/1022268161.db2.gz HIKKHMDCNLYAAX-UHFFFAOYSA-N 1 2 331.435 3.853 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CC3CCC2CC3)c1)[NH+]1CCOCC1 ZINC000550341174 1022276495 /nfs/dbraw/zinc/27/64/95/1022276495.db2.gz IBFXPOAUSWSGLA-MVBPIPQGSA-N 1 2 342.483 3.845 20 0 EHADLO CC[C@@H]1C[C@H](C)CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000073328355 1022285710 /nfs/dbraw/zinc/28/57/10/1022285710.db2.gz ZFTQYRYIKZFWJT-GOEBONIOSA-N 1 2 331.485 3.523 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)s1 ZINC000894443072 1022287640 /nfs/dbraw/zinc/28/76/40/1022287640.db2.gz CJIZFLMNBVCPMG-SWLSCSKDSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)s1 ZINC000894443072 1022287652 /nfs/dbraw/zinc/28/76/52/1022287652.db2.gz CJIZFLMNBVCPMG-SWLSCSKDSA-N 1 2 346.452 3.521 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000341554774 1022303966 /nfs/dbraw/zinc/30/39/66/1022303966.db2.gz KPXSMTCWKJRSOM-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000341554774 1022303981 /nfs/dbraw/zinc/30/39/81/1022303981.db2.gz KPXSMTCWKJRSOM-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO Cc1noc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000341574409 1022356412 /nfs/dbraw/zinc/35/64/12/1022356412.db2.gz OLZPPXSIMRNUPX-HNNXBMFYSA-N 1 2 336.233 3.772 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000048599072 1022369553 /nfs/dbraw/zinc/36/95/53/1022369553.db2.gz SHTKWMBKYJOUQR-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000048599072 1022369566 /nfs/dbraw/zinc/36/95/66/1022369566.db2.gz SHTKWMBKYJOUQR-SWLSCSKDSA-N 1 2 339.277 3.501 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)[C@H](CC)CN1C(C)=O ZINC000438126316 1022406088 /nfs/dbraw/zinc/40/60/88/1022406088.db2.gz JPWRQVPQXLVEMN-HZPDHXFCSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)[C@H](CC)CN1C(C)=O ZINC000438126316 1022406096 /nfs/dbraw/zinc/40/60/96/1022406096.db2.gz JPWRQVPQXLVEMN-HZPDHXFCSA-N 1 2 326.843 3.700 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000051181938 1022416871 /nfs/dbraw/zinc/41/68/71/1022416871.db2.gz AGURKTTZCWXYOE-AWEZNQCLSA-N 1 2 327.428 3.689 20 0 EHADLO CCc1cc2c(C[NH2+][C@H](CC)c3nccs3)cc(=O)oc2cc1O ZINC000161080313 1022486751 /nfs/dbraw/zinc/48/67/51/1022486751.db2.gz ZTHWWPLADXLPKF-CQSZACIVSA-N 1 2 344.436 3.758 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172966036 1033057974 /nfs/dbraw/zinc/05/79/74/1033057974.db2.gz AYCQSXSHKJQATJ-MLGOLLRUSA-N 1 2 334.464 3.922 20 0 EHADLO CCn1c(C)nn(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172966036 1033057987 /nfs/dbraw/zinc/05/79/87/1033057987.db2.gz AYCQSXSHKJQATJ-MLGOLLRUSA-N 1 2 334.464 3.922 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000303584075 1022495593 /nfs/dbraw/zinc/49/55/93/1022495593.db2.gz FQGANGWDYIGMLH-QZTJIDSGSA-N 1 2 346.519 3.686 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)n2)s1 ZINC000564467064 1022515634 /nfs/dbraw/zinc/51/56/34/1022515634.db2.gz ZCLUKIKBYDTNTD-SECBINFHSA-N 1 2 332.454 3.720 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)n2)s1 ZINC000564467064 1022515638 /nfs/dbraw/zinc/51/56/38/1022515638.db2.gz ZCLUKIKBYDTNTD-SECBINFHSA-N 1 2 332.454 3.720 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(Cc2ccc(F)cc2)CC1 ZINC000438264326 1022520875 /nfs/dbraw/zinc/52/08/75/1022520875.db2.gz ZKZSNNKGUATCFR-UHFFFAOYSA-N 1 2 349.409 3.651 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1(C)C ZINC000894556643 1022529230 /nfs/dbraw/zinc/52/92/30/1022529230.db2.gz GXZDEIIIPIBQDI-RBSFLKMASA-N 1 2 339.480 3.629 20 0 EHADLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cnn1C ZINC000438286236 1022536519 /nfs/dbraw/zinc/53/65/19/1022536519.db2.gz SQRXCDKRCFTYSD-MRXNPFEDSA-N 1 2 329.835 3.595 20 0 EHADLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cnn1C ZINC000438286236 1022536522 /nfs/dbraw/zinc/53/65/22/1022536522.db2.gz SQRXCDKRCFTYSD-MRXNPFEDSA-N 1 2 329.835 3.595 20 0 EHADLO CC(=O)Nc1ccc(C)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438303028 1022544750 /nfs/dbraw/zinc/54/47/50/1022544750.db2.gz JIWSSWPPYBZCDF-UHFFFAOYSA-N 1 2 334.423 3.810 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000346009471 1022551979 /nfs/dbraw/zinc/55/19/79/1022551979.db2.gz CVUWGQNVOCAVIA-UHFFFAOYSA-N 1 2 349.394 3.625 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000438321650 1022563295 /nfs/dbraw/zinc/56/32/95/1022563295.db2.gz FUFKBCHIJJMQRW-QMMMGPOBSA-N 1 2 344.230 3.741 20 0 EHADLO COc1cc(C)ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000548374871 1022597182 /nfs/dbraw/zinc/59/71/82/1022597182.db2.gz REBWYGMRTHNJOT-UHFFFAOYSA-N 1 2 341.455 3.533 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)[C@H](C)[C@H](C)O1 ZINC000438370558 1022599425 /nfs/dbraw/zinc/59/94/25/1022599425.db2.gz CUHNBDIOVDHRCV-UPJWGTAASA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)[C@H](C)[C@H](C)O1 ZINC000438370558 1022599432 /nfs/dbraw/zinc/59/94/32/1022599432.db2.gz CUHNBDIOVDHRCV-UPJWGTAASA-N 1 2 349.272 3.995 20 0 EHADLO Cc1cc(CNc2ccc(F)c(NC(N)=O)c2)c2c([nH+]1)CCCC2 ZINC000894606271 1022599273 /nfs/dbraw/zinc/59/92/73/1022599273.db2.gz RAZLXWFJEZIFLY-UHFFFAOYSA-N 1 2 328.391 3.511 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+](C)Cc1ccccc1F ZINC000430728145 1022627985 /nfs/dbraw/zinc/62/79/85/1022627985.db2.gz JXZZTNKXQLJDJG-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccccc1F ZINC000430728145 1022627994 /nfs/dbraw/zinc/62/79/94/1022627994.db2.gz JXZZTNKXQLJDJG-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC34CCC4)n2)O1 ZINC000665004123 1022638414 /nfs/dbraw/zinc/63/84/14/1022638414.db2.gz RFBBDOXRHSOBOK-HYVNUMGLSA-N 1 2 339.439 3.689 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC34CCC4)n2)O1 ZINC000665004123 1022638418 /nfs/dbraw/zinc/63/84/18/1022638418.db2.gz RFBBDOXRHSOBOK-HYVNUMGLSA-N 1 2 339.439 3.689 20 0 EHADLO COCCCC1(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)CCC1 ZINC000894648837 1022664346 /nfs/dbraw/zinc/66/43/46/1022664346.db2.gz IYOHOJWEMOFOKZ-UHFFFAOYSA-N 1 2 325.456 3.785 20 0 EHADLO COCCCC1(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)CCC1 ZINC000894648837 1022664354 /nfs/dbraw/zinc/66/43/54/1022664354.db2.gz IYOHOJWEMOFOKZ-UHFFFAOYSA-N 1 2 325.456 3.785 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837531 1022681289 /nfs/dbraw/zinc/68/12/89/1022681289.db2.gz OQMSYBGPRDXKPD-FQEVSTJZSA-N 1 2 337.467 3.513 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664837531 1022681297 /nfs/dbraw/zinc/68/12/97/1022681297.db2.gz OQMSYBGPRDXKPD-FQEVSTJZSA-N 1 2 337.467 3.513 20 0 EHADLO CCn1ccnc1C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000517805190 1022696912 /nfs/dbraw/zinc/69/69/12/1022696912.db2.gz GZTOAOYPIMNQJI-LBPRGKRZSA-N 1 2 338.274 3.602 20 0 EHADLO C[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)C[C@H]1OCCc2ccccc21 ZINC000891783897 1022712264 /nfs/dbraw/zinc/71/22/64/1022712264.db2.gz OEMWLASBOBIVPJ-MRXNPFEDSA-N 1 2 331.847 3.686 20 0 EHADLO C[N@H+](Cc1c(Cl)n[nH]c1C1CC1)C[C@H]1OCCc2ccccc21 ZINC000891783897 1022712277 /nfs/dbraw/zinc/71/22/77/1022712277.db2.gz OEMWLASBOBIVPJ-MRXNPFEDSA-N 1 2 331.847 3.686 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000164373159 1022719504 /nfs/dbraw/zinc/71/95/04/1022719504.db2.gz GQRDIMHBMCKWGA-OXJNMPFZSA-N 1 2 348.450 3.934 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@H](C(C)(C)C)C3)o2)cc1 ZINC000331311486 1022783527 /nfs/dbraw/zinc/78/35/27/1022783527.db2.gz GYVWLBDKLPNGLM-HOCLYGCPSA-N 1 2 329.444 3.853 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@H](C(C)(C)C)C3)o2)cc1 ZINC000331311486 1022783540 /nfs/dbraw/zinc/78/35/40/1022783540.db2.gz GYVWLBDKLPNGLM-HOCLYGCPSA-N 1 2 329.444 3.853 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1OCc1ccccc1 ZINC000506278259 1022788201 /nfs/dbraw/zinc/78/82/01/1022788201.db2.gz BVYWHMNQTRPWDJ-QGZVFWFLSA-N 1 2 341.451 3.885 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1OCc1ccccc1 ZINC000506278259 1022788210 /nfs/dbraw/zinc/78/82/10/1022788210.db2.gz BVYWHMNQTRPWDJ-QGZVFWFLSA-N 1 2 341.451 3.885 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000304963057 1022792320 /nfs/dbraw/zinc/79/23/20/1022792320.db2.gz NJYKTXDRSAMICS-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000304963057 1022792338 /nfs/dbraw/zinc/79/23/38/1022792338.db2.gz NJYKTXDRSAMICS-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO Cc1cccc(OCCCNC(=O)Nc2ccn3cc[nH+]c3c2)c1C ZINC000519571329 1022801962 /nfs/dbraw/zinc/80/19/62/1022801962.db2.gz KMMDPQAVPQCRFG-UHFFFAOYSA-N 1 2 338.411 3.542 20 0 EHADLO CCc1cc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)nc(CC)[nH+]1 ZINC000894728165 1022806125 /nfs/dbraw/zinc/80/61/25/1022806125.db2.gz DHXRANAAKJPECS-QGZVFWFLSA-N 1 2 325.391 3.665 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1C ZINC000430874912 1022819209 /nfs/dbraw/zinc/81/92/09/1022819209.db2.gz JGMXJSYOCCSATR-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1C ZINC000430874912 1022819230 /nfs/dbraw/zinc/81/92/30/1022819230.db2.gz JGMXJSYOCCSATR-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000441461793 1022951286 /nfs/dbraw/zinc/95/12/86/1022951286.db2.gz GZYUHYJKJNTXLF-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO O=C(C[C@H]1C[C@H]1c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000341680758 1022986906 /nfs/dbraw/zinc/98/69/06/1022986906.db2.gz UPEJCRPUQHIYTG-MJGOQNOKSA-N 1 2 340.492 3.586 20 0 EHADLO Cc1ccc(CC(=O)Nc2cccc3[nH+]ccn32)cc1Br ZINC000438779721 1022995508 /nfs/dbraw/zinc/99/55/08/1022995508.db2.gz GDIJTBLDMFMAOO-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1Cl ZINC000926254792 1023019137 /nfs/dbraw/zinc/01/91/37/1023019137.db2.gz YVFOHVCQQMUAKB-DOMZBBRYSA-N 1 2 334.851 3.906 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000536360608 1023031009 /nfs/dbraw/zinc/03/10/09/1023031009.db2.gz BZOWFWKZKCITPE-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000536360608 1023031021 /nfs/dbraw/zinc/03/10/21/1023031021.db2.gz BZOWFWKZKCITPE-KKSFZXQISA-N 1 2 340.467 3.518 20 0 EHADLO COC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189535780 1023050733 /nfs/dbraw/zinc/05/07/33/1023050733.db2.gz CSSGWNROTHBAJS-UHFFFAOYSA-N 1 2 335.753 3.744 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000091703314 1023052216 /nfs/dbraw/zinc/05/22/16/1023052216.db2.gz LSUFKAAWVUDCNH-QGZVFWFLSA-N 1 2 339.483 3.557 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000091703314 1023052227 /nfs/dbraw/zinc/05/22/27/1023052227.db2.gz LSUFKAAWVUDCNH-QGZVFWFLSA-N 1 2 339.483 3.557 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(SC)cn1 ZINC000429610281 1023059048 /nfs/dbraw/zinc/05/90/48/1023059048.db2.gz KDZZXVRSDFISMR-UHFFFAOYSA-N 1 2 347.488 3.507 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000294600698 1023066146 /nfs/dbraw/zinc/06/61/46/1023066146.db2.gz UHILKUMDFJEWAK-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000294600698 1023066159 /nfs/dbraw/zinc/06/61/59/1023066159.db2.gz UHILKUMDFJEWAK-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518192766 1023112092 /nfs/dbraw/zinc/11/20/92/1023112092.db2.gz QJIGARBKBDHJRA-RDJZCZTQSA-N 1 2 329.444 3.746 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000518194809 1023116470 /nfs/dbraw/zinc/11/64/70/1023116470.db2.gz SQJIZPRHQKKGOR-DYVFJYSZSA-N 1 2 331.847 3.612 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832383 1023119710 /nfs/dbraw/zinc/11/97/10/1023119710.db2.gz LBPZGKQRVQOEBR-HNNXBMFYSA-N 1 2 327.428 3.833 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832383 1023119716 /nfs/dbraw/zinc/11/97/16/1023119716.db2.gz LBPZGKQRVQOEBR-HNNXBMFYSA-N 1 2 327.428 3.833 20 0 EHADLO CC(C)C[C@@H](C(=O)N(C)CCCOCc1ccccc1)n1cc[nH+]c1 ZINC001625928725 1023198188 /nfs/dbraw/zinc/19/81/88/1023198188.db2.gz RMKQHPXYOJSTEO-IBGZPJMESA-N 1 2 343.471 3.536 20 0 EHADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638574998 1023199567 /nfs/dbraw/zinc/19/95/67/1023199567.db2.gz IFZCJCGUWJHCTE-GOSISDBHSA-N 1 2 346.434 3.627 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000190466315 1023203583 /nfs/dbraw/zinc/20/35/83/1023203583.db2.gz NXBLIBSGDCGUKI-HZPDHXFCSA-N 1 2 334.508 3.692 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000190483214 1023206482 /nfs/dbraw/zinc/20/64/82/1023206482.db2.gz BFARQQMPGYUEPN-HNNXBMFYSA-N 1 2 346.438 3.727 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000190483214 1023206492 /nfs/dbraw/zinc/20/64/92/1023206492.db2.gz BFARQQMPGYUEPN-HNNXBMFYSA-N 1 2 346.438 3.727 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000506459117 1023211479 /nfs/dbraw/zinc/21/14/79/1023211479.db2.gz GTYXMLTXAIWCHL-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000506459117 1023211488 /nfs/dbraw/zinc/21/14/88/1023211488.db2.gz GTYXMLTXAIWCHL-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1c[nH+]ccc1OC(C)(C)C ZINC000158434728 1023211770 /nfs/dbraw/zinc/21/17/70/1023211770.db2.gz KHNKFDUOKDISPS-UHFFFAOYSA-N 1 2 346.427 3.897 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)NC1(c2cccc(Cl)c2)CC1 ZINC000439024291 1023214382 /nfs/dbraw/zinc/21/43/82/1023214382.db2.gz ZQCRSLWKCWVUTA-UHFFFAOYSA-N 1 2 326.787 3.799 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)no2)cc1 ZINC000341751935 1023250746 /nfs/dbraw/zinc/25/07/46/1023250746.db2.gz RUPRSUCIGZMCEF-ZDUSSCGKSA-N 1 2 335.473 3.782 20 0 EHADLO CCc1cc(OCC(=O)NCc2ccc(F)cc2)c2ccccc2[nH+]1 ZINC000536420831 1023258275 /nfs/dbraw/zinc/25/82/75/1023258275.db2.gz VVQATYIDDVDMJO-UHFFFAOYSA-N 1 2 338.382 3.632 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC12CCCCC2 ZINC000180279185 1023263932 /nfs/dbraw/zinc/26/39/32/1023263932.db2.gz FJPYQVZESMFLLT-KRWDZBQOSA-N 1 2 342.487 3.594 20 0 EHADLO CO[C@H](c1noc(C[NH+]2CCC(C)CC2)n1)c1ccccc1Cl ZINC000276887534 1023302706 /nfs/dbraw/zinc/30/27/06/1023302706.db2.gz GXZJPKRRSPEIPJ-INIZCTEOSA-N 1 2 335.835 3.691 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000471953629 1023412036 /nfs/dbraw/zinc/41/20/36/1023412036.db2.gz MGQNUUGHASQQME-INIZCTEOSA-N 1 2 349.434 3.667 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C)cc1Cl)c1ccccn1 ZINC000593975187 1033134723 /nfs/dbraw/zinc/13/47/23/1033134723.db2.gz JYAFWAIQRBWZKO-SFHVURJKSA-N 1 2 332.831 3.612 20 0 EHADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)cnc1Cl ZINC000891931480 1023440439 /nfs/dbraw/zinc/44/04/39/1023440439.db2.gz KIMNUINJQOVECX-UHFFFAOYSA-N 1 2 345.874 3.767 20 0 EHADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)cnc1Cl ZINC000891931480 1023440441 /nfs/dbraw/zinc/44/04/41/1023440441.db2.gz KIMNUINJQOVECX-UHFFFAOYSA-N 1 2 345.874 3.767 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000761044726 1033136392 /nfs/dbraw/zinc/13/63/92/1033136392.db2.gz BWGTYOZJISZDAW-SECBINFHSA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000761044726 1033136402 /nfs/dbraw/zinc/13/64/02/1033136402.db2.gz BWGTYOZJISZDAW-SECBINFHSA-N 1 2 331.725 3.774 20 0 EHADLO C[C@H](CCc1c(F)cccc1F)Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000510930153 1023504170 /nfs/dbraw/zinc/50/41/70/1023504170.db2.gz OYSDDMUFHWOMOZ-CQSZACIVSA-N 1 2 347.409 3.630 20 0 EHADLO CC(C)c1cc(NC2CCN(c3cccnn3)CC2)nc(C(C)C)[nH+]1 ZINC000276982605 1023575843 /nfs/dbraw/zinc/57/58/43/1023575843.db2.gz FTKOBKNXMFLYCB-UHFFFAOYSA-N 1 2 340.475 3.594 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)s1 ZINC000602758736 1033148708 /nfs/dbraw/zinc/14/87/08/1033148708.db2.gz NKWFXDYFBDYYHZ-LBPRGKRZSA-N 1 2 334.441 3.521 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)s1 ZINC000602758736 1033148719 /nfs/dbraw/zinc/14/87/19/1033148719.db2.gz NKWFXDYFBDYYHZ-LBPRGKRZSA-N 1 2 334.441 3.521 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000934046253 1023688869 /nfs/dbraw/zinc/68/88/69/1023688869.db2.gz QZNKXUUORAMSDF-AWEZNQCLSA-N 1 2 342.443 3.999 20 0 EHADLO COc1ccc(F)c(F)c1C[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC001143418123 1023717408 /nfs/dbraw/zinc/71/74/08/1023717408.db2.gz QBOYUWKODWNDKQ-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CCCc1nc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341949991 1023717441 /nfs/dbraw/zinc/71/74/41/1023717441.db2.gz YNCZJWCTYMSORG-UHFFFAOYSA-N 1 2 330.497 3.870 20 0 EHADLO CCCc1nc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)cs1 ZINC000341949991 1023717442 /nfs/dbraw/zinc/71/74/42/1023717442.db2.gz YNCZJWCTYMSORG-UHFFFAOYSA-N 1 2 330.497 3.870 20 0 EHADLO C[C@H](CC(F)(F)F)Nc1cc(N[C@@H](C)CC(F)(F)F)nc[nH+]1 ZINC000341995441 1023748608 /nfs/dbraw/zinc/74/86/08/1023748608.db2.gz KBSRTCZSDYNLMK-OCAPTIKFSA-N 1 2 330.276 3.982 20 0 EHADLO C[C@H](CC(F)(F)F)Nc1cc(N[C@@H](C)CC(F)(F)F)[nH+]cn1 ZINC000341995441 1023748614 /nfs/dbraw/zinc/74/86/14/1023748614.db2.gz KBSRTCZSDYNLMK-OCAPTIKFSA-N 1 2 330.276 3.982 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342027647 1023777770 /nfs/dbraw/zinc/77/77/70/1023777770.db2.gz XCMSGMNANRONAY-ZIAGYGMSSA-N 1 2 346.215 3.871 20 0 EHADLO Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342027647 1023777776 /nfs/dbraw/zinc/77/77/76/1023777776.db2.gz XCMSGMNANRONAY-ZIAGYGMSSA-N 1 2 346.215 3.871 20 0 EHADLO CCC(=O)N1CCc2ccc(NCc3c[nH+]c4ccc(C)cn34)cc21 ZINC000897771125 1033161145 /nfs/dbraw/zinc/16/11/45/1033161145.db2.gz YKDHWPAQWBTADS-UHFFFAOYSA-N 1 2 334.423 3.554 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(SC)c(OC)c2)[nH]1 ZINC000277142106 1023827587 /nfs/dbraw/zinc/82/75/87/1023827587.db2.gz DWQYDUVRNGECNW-RYUDHWBXSA-N 1 2 334.489 3.900 20 0 EHADLO O=C(Nc1ccc(-c2nncs2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000535837503 1023842717 /nfs/dbraw/zinc/84/27/17/1023842717.db2.gz DXNRWFDJNGVURX-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc2cccnc21 ZINC000046467989 1033174983 /nfs/dbraw/zinc/17/49/83/1033174983.db2.gz WHVGATYAZPGFTI-MRXNPFEDSA-N 1 2 337.427 3.668 20 0 EHADLO c1nc(N2CCCCC2)cc(N[C@@H]2CCOC3(CCCCC3)C2)[nH+]1 ZINC000133479995 1023986169 /nfs/dbraw/zinc/98/61/69/1023986169.db2.gz WZSWECSSCTXUJV-MRXNPFEDSA-N 1 2 330.476 3.761 20 0 EHADLO c1nc(N[C@@H]2CCOC3(CCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000133479995 1023986183 /nfs/dbraw/zinc/98/61/83/1023986183.db2.gz WZSWECSSCTXUJV-MRXNPFEDSA-N 1 2 330.476 3.761 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1C ZINC000544355139 1023999235 /nfs/dbraw/zinc/99/92/35/1023999235.db2.gz GCPZITKPMZDSCX-FQEVSTJZSA-N 1 2 338.430 3.933 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1F ZINC000150995833 1024011343 /nfs/dbraw/zinc/01/13/43/1024011343.db2.gz NIGCDPJGBYKRFF-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1F ZINC000150995833 1024011356 /nfs/dbraw/zinc/01/13/56/1024011356.db2.gz NIGCDPJGBYKRFF-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccccc1C(F)F ZINC000425081866 1024043801 /nfs/dbraw/zinc/04/38/01/1024043801.db2.gz CXEAGPVOEKHPAW-TZMCWYRMSA-N 1 2 331.366 3.730 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1F ZINC000514001389 1024044256 /nfs/dbraw/zinc/04/42/56/1024044256.db2.gz JPRJTGLLECTRNX-FZKQIMNGSA-N 1 2 346.833 3.756 20 0 EHADLO CC1(C)C[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC(C)(C)O1 ZINC000443853281 1024054238 /nfs/dbraw/zinc/05/42/38/1024054238.db2.gz MHNPVUPOONDEPU-UHFFFAOYSA-N 1 2 335.398 3.744 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000434484427 1024074915 /nfs/dbraw/zinc/07/49/15/1024074915.db2.gz PUOVATVFXMFHHZ-ZDUSSCGKSA-N 1 2 332.835 3.712 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(C)c1OC ZINC000342113313 1024080213 /nfs/dbraw/zinc/08/02/13/1024080213.db2.gz ZLDUUYUSBLZMAJ-INIZCTEOSA-N 1 2 345.443 3.760 20 0 EHADLO CCC[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614700129 1024117499 /nfs/dbraw/zinc/11/74/99/1024117499.db2.gz DHONXAFIXUTLBZ-DOTOQJQBSA-N 1 2 331.847 3.551 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2(C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000522617340 1024120621 /nfs/dbraw/zinc/12/06/21/1024120621.db2.gz WXOARLDXEOKRFI-MRXNPFEDSA-N 1 2 345.487 3.924 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000895255539 1024122622 /nfs/dbraw/zinc/12/26/22/1024122622.db2.gz ZUOIZGCHPRVJCG-OAHLLOKOSA-N 1 2 327.428 3.576 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823009 1033189909 /nfs/dbraw/zinc/18/99/09/1033189909.db2.gz IQRYLRVELKDXEA-ZYHUDNBSSA-N 1 2 346.349 3.577 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602823009 1033189928 /nfs/dbraw/zinc/18/99/28/1033189928.db2.gz IQRYLRVELKDXEA-ZYHUDNBSSA-N 1 2 346.349 3.577 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+]([C@@H](C)c3cnc(C)nc3C)CCO2)cc1 ZINC000639100694 1024186893 /nfs/dbraw/zinc/18/68/93/1024186893.db2.gz YGDQQKCTVCEYIQ-MGPUTAFESA-N 1 2 325.456 3.790 20 0 EHADLO CCc1ccc([C@H]2C[N@H+]([C@@H](C)c3cnc(C)nc3C)CCO2)cc1 ZINC000639100694 1024186900 /nfs/dbraw/zinc/18/69/00/1024186900.db2.gz YGDQQKCTVCEYIQ-MGPUTAFESA-N 1 2 325.456 3.790 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@@]1=O ZINC000277205896 1024204913 /nfs/dbraw/zinc/20/49/13/1024204913.db2.gz MYDJAOQQLQCKBQ-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@@]1=O ZINC000277205896 1024204925 /nfs/dbraw/zinc/20/49/25/1024204925.db2.gz MYDJAOQQLQCKBQ-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2Cl)C2CC2)cc1 ZINC000526083350 1024219064 /nfs/dbraw/zinc/21/90/64/1024219064.db2.gz LEBSJHBPIXREJF-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2Cl)C2CC2)cc1 ZINC000526083350 1024219078 /nfs/dbraw/zinc/21/90/78/1024219078.db2.gz LEBSJHBPIXREJF-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000109961799 1024250708 /nfs/dbraw/zinc/25/07/08/1024250708.db2.gz GDIRGZJJXMEZQR-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000443617665 1024256245 /nfs/dbraw/zinc/25/62/45/1024256245.db2.gz ANIGGCSMEYFHGR-UHFFFAOYSA-N 1 2 329.444 3.937 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000443617665 1024256258 /nfs/dbraw/zinc/25/62/58/1024256258.db2.gz ANIGGCSMEYFHGR-UHFFFAOYSA-N 1 2 329.444 3.937 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341389 1024273394 /nfs/dbraw/zinc/27/33/94/1024273394.db2.gz AWZUKZILLYVKOD-UONOGXRCSA-N 1 2 338.442 3.728 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)(C)C ZINC000522341389 1024273403 /nfs/dbraw/zinc/27/34/03/1024273403.db2.gz AWZUKZILLYVKOD-UONOGXRCSA-N 1 2 338.442 3.728 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330041108 1024300119 /nfs/dbraw/zinc/30/01/19/1024300119.db2.gz GAZHXZLARFAHFS-CQSZACIVSA-N 1 2 344.463 3.625 20 0 EHADLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330041108 1024300137 /nfs/dbraw/zinc/30/01/37/1024300137.db2.gz GAZHXZLARFAHFS-CQSZACIVSA-N 1 2 344.463 3.625 20 0 EHADLO FC(F)(F)[C@H](C[NH2+]Cc1nc2ccccc2o1)OC1CCCC1 ZINC000639310453 1024307197 /nfs/dbraw/zinc/30/71/97/1024307197.db2.gz XAKIRZYYNAQNOY-AWEZNQCLSA-N 1 2 328.334 3.808 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H]1c1ccc[nH]1 ZINC000425145347 1024323662 /nfs/dbraw/zinc/32/36/62/1024323662.db2.gz OBMRTGSMALXUPC-WMZOPIPTSA-N 1 2 334.423 3.624 20 0 EHADLO O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346045629 1024337429 /nfs/dbraw/zinc/33/74/29/1024337429.db2.gz ZVOGHJNUHBHHNS-ZDUSSCGKSA-N 1 2 341.798 3.510 20 0 EHADLO C[C@H](O)[C@H]1CCCN1c1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000664442011 1024360994 /nfs/dbraw/zinc/36/09/94/1024360994.db2.gz RGUCQJZNFFHVRJ-HNAYVOBHSA-N 1 2 348.450 3.592 20 0 EHADLO Cc1nc(N2CCC(Nc3cccc[nH+]3)CC2)ccc1Br ZINC000895352700 1024366375 /nfs/dbraw/zinc/36/63/75/1024366375.db2.gz KDQXDNOTVUBXLE-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO Cn1ncc(NCc2cc(-n3cc[nH+]c3)cs2)c1-c1ccccc1 ZINC000342194078 1024374046 /nfs/dbraw/zinc/37/40/46/1024374046.db2.gz DUSUPGSIPIRVHJ-UHFFFAOYSA-N 1 2 335.436 3.946 20 0 EHADLO CCc1cnc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000346138116 1024437781 /nfs/dbraw/zinc/43/77/81/1024437781.db2.gz RSYXHDWSCOMFHB-RMKNXTFCSA-N 1 2 327.497 3.537 20 0 EHADLO C[C@@H](C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218761 1024443528 /nfs/dbraw/zinc/44/35/28/1024443528.db2.gz IREMXECDJDQNRY-STQMWFEESA-N 1 2 329.893 3.546 20 0 EHADLO C[C@@H](C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218761 1024443534 /nfs/dbraw/zinc/44/35/34/1024443534.db2.gz IREMXECDJDQNRY-STQMWFEESA-N 1 2 329.893 3.546 20 0 EHADLO O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505529721 1024444044 /nfs/dbraw/zinc/44/40/44/1024444044.db2.gz JBOUNYMLXBHVFZ-HXUWFJFHSA-N 1 2 349.409 3.608 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2cc(N3CCCC3)nc[nH+]2)cc1OC ZINC000277283524 1024447862 /nfs/dbraw/zinc/44/78/62/1024447862.db2.gz BBPFSIFYAXGLRT-AWEZNQCLSA-N 1 2 342.443 3.576 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2cc(N3CCCC3)[nH+]cn2)cc1OC ZINC000277283524 1024447869 /nfs/dbraw/zinc/44/78/69/1024447869.db2.gz BBPFSIFYAXGLRT-AWEZNQCLSA-N 1 2 342.443 3.576 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000614657458 1024466322 /nfs/dbraw/zinc/46/63/22/1024466322.db2.gz MKJGAHUZFSDLQB-ZWKOTPCHSA-N 1 2 339.483 4.000 20 0 EHADLO CC(C)N(Cc1ccco1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425225784 1024473081 /nfs/dbraw/zinc/47/30/81/1024473081.db2.gz PMAQSVRPXXUEDG-SFHVURJKSA-N 1 2 337.423 3.962 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1OC(C)C ZINC000427627015 1024492392 /nfs/dbraw/zinc/49/23/92/1024492392.db2.gz WGLTWWNZBCCQMQ-IBGZPJMESA-N 1 2 338.451 3.995 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1OC(C)C ZINC000427627015 1024492400 /nfs/dbraw/zinc/49/24/00/1024492400.db2.gz WGLTWWNZBCCQMQ-IBGZPJMESA-N 1 2 338.451 3.995 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOC2CCCCCC2)c1 ZINC000346212034 1024502760 /nfs/dbraw/zinc/50/27/60/1024502760.db2.gz DEHKKHSMVUNZTI-UHFFFAOYSA-N 1 2 341.455 3.650 20 0 EHADLO CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCc2ccccc2C1 ZINC000346212890 1024504985 /nfs/dbraw/zinc/50/49/85/1024504985.db2.gz BXRXOWPWNBIRSR-ZWKOTPCHSA-N 1 2 337.467 3.626 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cnccn1 ZINC000280974102 1024511240 /nfs/dbraw/zinc/51/12/40/1024511240.db2.gz LNSKGVBBIPXDLZ-OTYXRUKQSA-N 1 2 345.752 3.533 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187578 1024513047 /nfs/dbraw/zinc/51/30/47/1024513047.db2.gz YKCDEGSOMOWSKM-GJZGRUSLSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000114187578 1024513055 /nfs/dbraw/zinc/51/30/55/1024513055.db2.gz YKCDEGSOMOWSKM-GJZGRUSLSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459156939 1024515102 /nfs/dbraw/zinc/51/51/02/1024515102.db2.gz XJDMMPLYBAMHHC-KRWDZBQOSA-N 1 2 342.487 3.700 20 0 EHADLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]12 ZINC001141807680 1024516500 /nfs/dbraw/zinc/51/65/00/1024516500.db2.gz YNMPTHBKQUMZJO-JOYOIKCWSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]12 ZINC001141807680 1024516506 /nfs/dbraw/zinc/51/65/06/1024516506.db2.gz YNMPTHBKQUMZJO-JOYOIKCWSA-N 1 2 344.199 3.528 20 0 EHADLO CC[C@@H](CC(F)(F)F)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425255476 1024519196 /nfs/dbraw/zinc/51/91/96/1024519196.db2.gz MYNJDCXPTFWJGU-UONOGXRCSA-N 1 2 339.361 3.779 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000280986019 1024526936 /nfs/dbraw/zinc/52/69/36/1024526936.db2.gz PXGIUWCPQQMEDF-UHFFFAOYSA-N 1 2 334.423 3.525 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280984343 1024527066 /nfs/dbraw/zinc/52/70/66/1024527066.db2.gz UPEPTJRLCUMBGZ-NSHDSACASA-N 1 2 340.254 3.879 20 0 EHADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459170957 1024531891 /nfs/dbraw/zinc/53/18/91/1024531891.db2.gz IADLNUVIIPOBJH-INIZCTEOSA-N 1 2 340.471 3.536 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1c1ccccc1Cl ZINC000346226173 1024540398 /nfs/dbraw/zinc/54/03/98/1024540398.db2.gz VOBSHYPWOVYTOX-XJKSGUPXSA-N 1 2 329.831 3.847 20 0 EHADLO c1cc(-c2ccc(C[NH2+]Cc3nc4ccccc4n3C3CC3)o2)n[nH]1 ZINC000434993293 1024547441 /nfs/dbraw/zinc/54/74/41/1024547441.db2.gz YFFPNXSTCCBAAC-UHFFFAOYSA-N 1 2 333.395 3.644 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)[nH]1 ZINC000277308716 1024551139 /nfs/dbraw/zinc/55/11/39/1024551139.db2.gz SIPYCVTZVJYGCM-RWMBFGLXSA-N 1 2 332.496 3.990 20 0 EHADLO C[NH+](C)Cc1csc(CNc2nc(-c3cccc(Cl)c3)no2)n1 ZINC000895484769 1024561843 /nfs/dbraw/zinc/56/18/43/1024561843.db2.gz XCBGSERZVPILKI-UHFFFAOYSA-N 1 2 349.847 3.520 20 0 EHADLO Cc1sccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000346251680 1024573601 /nfs/dbraw/zinc/57/36/01/1024573601.db2.gz KVVBBUPELWNFLR-ZDUSSCGKSA-N 1 2 334.510 3.566 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000098121926 1024579719 /nfs/dbraw/zinc/57/97/19/1024579719.db2.gz ULXDBWADCBSSST-NXOAAHMSSA-N 1 2 347.503 3.852 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000098121926 1024579725 /nfs/dbraw/zinc/57/97/25/1024579725.db2.gz ULXDBWADCBSSST-NXOAAHMSSA-N 1 2 347.503 3.852 20 0 EHADLO Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc2c(=O)cc[nH]c12 ZINC000665185714 1024590560 /nfs/dbraw/zinc/59/05/60/1024590560.db2.gz LODXIHZZBWRJRY-UHFFFAOYSA-N 1 2 334.419 3.748 20 0 EHADLO Cc1nccn1CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000346300983 1024592759 /nfs/dbraw/zinc/59/27/59/1024592759.db2.gz DMAHHGNMRHTTHG-SFHVURJKSA-N 1 2 326.831 3.619 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCc2ccccc2C1 ZINC000665397208 1024601892 /nfs/dbraw/zinc/60/18/92/1024601892.db2.gz XJJIGTXYKMWPBO-WOJBJXKFSA-N 1 2 345.446 3.605 20 0 EHADLO O=C(C[C@H]1CCC2(CCC2)O1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000895560895 1024611599 /nfs/dbraw/zinc/61/15/99/1024611599.db2.gz ZMODZTSONUNKJX-OAHLLOKOSA-N 1 2 349.500 3.559 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536498647 1024615250 /nfs/dbraw/zinc/61/52/50/1024615250.db2.gz WXDYWOKWDLFVDS-CQSZACIVSA-N 1 2 335.329 3.738 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000684686891 1024629140 /nfs/dbraw/zinc/62/91/40/1024629140.db2.gz UCMJNGLHCNOBMN-ZBFHGGJFSA-N 1 2 338.386 3.931 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000435115684 1024631316 /nfs/dbraw/zinc/63/13/16/1024631316.db2.gz INMNOEFCUWSKPY-AWEZNQCLSA-N 1 2 342.443 3.999 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000435115684 1024631324 /nfs/dbraw/zinc/63/13/24/1024631324.db2.gz INMNOEFCUWSKPY-AWEZNQCLSA-N 1 2 342.443 3.999 20 0 EHADLO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1(c2nc(C)no2)CC1 ZINC000897896144 1033225742 /nfs/dbraw/zinc/22/57/42/1033225742.db2.gz OVWPAKPJMMMDPB-LUAWRHEFSA-N 1 2 335.354 3.662 20 0 EHADLO Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000487440005 1024649476 /nfs/dbraw/zinc/64/94/76/1024649476.db2.gz LSHFKFKMOVJIKI-KRWDZBQOSA-N 1 2 333.435 3.884 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000346329170 1024653626 /nfs/dbraw/zinc/65/36/26/1024653626.db2.gz RCZADSNWKIOFRB-HXUWFJFHSA-N 1 2 347.418 3.579 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000346329170 1024653631 /nfs/dbraw/zinc/65/36/31/1024653631.db2.gz RCZADSNWKIOFRB-HXUWFJFHSA-N 1 2 347.418 3.579 20 0 EHADLO CCCOc1cccnc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346381798 1024671183 /nfs/dbraw/zinc/67/11/83/1024671183.db2.gz GEIVROQEWGCPFB-UHFFFAOYSA-N 1 2 347.378 3.773 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000330312932 1024680486 /nfs/dbraw/zinc/68/04/86/1024680486.db2.gz OOZDFDMDJLVGQZ-CYBMUJFWSA-N 1 2 345.516 3.643 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000330312932 1024680493 /nfs/dbraw/zinc/68/04/93/1024680493.db2.gz OOZDFDMDJLVGQZ-CYBMUJFWSA-N 1 2 345.516 3.643 20 0 EHADLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(C)s1 ZINC000614674933 1024685969 /nfs/dbraw/zinc/68/59/69/1024685969.db2.gz ZMBRUCYUFQNKRQ-UHFFFAOYSA-N 1 2 349.525 3.599 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000514720478 1024694062 /nfs/dbraw/zinc/69/40/62/1024694062.db2.gz IOEBDGHSUOWZDT-UHFFFAOYSA-N 1 2 326.444 3.531 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)[nH]1 ZINC000330318053 1024703053 /nfs/dbraw/zinc/70/30/53/1024703053.db2.gz CBFFIHHHFVENJO-UHFFFAOYSA-N 1 2 337.471 3.963 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000346435055 1024731484 /nfs/dbraw/zinc/73/14/84/1024731484.db2.gz UCAYJEZEMHUZPW-SJKOYZFVSA-N 1 2 331.847 3.926 20 0 EHADLO C[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)(F)F ZINC000425327764 1024771732 /nfs/dbraw/zinc/77/17/32/1024771732.db2.gz NLRNWLVXXRNCIX-GXTWGEPZSA-N 1 2 339.361 3.636 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000346461526 1024772910 /nfs/dbraw/zinc/77/29/10/1024772910.db2.gz SJRLXGVORIOQRX-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000346461526 1024772923 /nfs/dbraw/zinc/77/29/23/1024772923.db2.gz SJRLXGVORIOQRX-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO O[C@@H]1CCCC[N@H+](Cc2c(F)cc(Cl)cc2Br)C1 ZINC001141837783 1024786308 /nfs/dbraw/zinc/78/63/08/1024786308.db2.gz QFFOMPBMIPVDGU-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO O[C@@H]1CCCC[N@@H+](Cc2c(F)cc(Cl)cc2Br)C1 ZINC001141837783 1024786322 /nfs/dbraw/zinc/78/63/22/1024786322.db2.gz QFFOMPBMIPVDGU-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC23CCCC3)C[C@H](C)O1 ZINC000474350107 1024795340 /nfs/dbraw/zinc/79/53/40/1024795340.db2.gz AWJKELMOAJFDKP-SOLBZPMBSA-N 1 2 342.483 3.815 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CC23CCCC3)C[C@H](C)O1 ZINC000474350107 1024795349 /nfs/dbraw/zinc/79/53/49/1024795349.db2.gz AWJKELMOAJFDKP-SOLBZPMBSA-N 1 2 342.483 3.815 20 0 EHADLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC000435328443 1024795812 /nfs/dbraw/zinc/79/58/12/1024795812.db2.gz RHJRBZQBIDJEFK-UHFFFAOYSA-N 1 2 343.814 3.781 20 0 EHADLO CC(F)(F)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435337513 1024806863 /nfs/dbraw/zinc/80/68/63/1024806863.db2.gz VHUKQDIKTXRMAB-UHFFFAOYSA-N 1 2 341.789 3.611 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1OC1CCCCC1 ZINC000607651030 1033236178 /nfs/dbraw/zinc/23/61/78/1033236178.db2.gz ZYBKZMCEKFGWHW-UHFFFAOYSA-N 1 2 341.455 3.805 20 0 EHADLO CCCCN(C(=O)NCCn1cc[nH+]c1)[C@@H](CC)c1ccccc1 ZINC000114817962 1024823319 /nfs/dbraw/zinc/82/33/19/1024823319.db2.gz XXMKGHGONOPPNB-SFHVURJKSA-N 1 2 328.460 3.846 20 0 EHADLO COc1ccccc1N1CCC[N@H+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000897923355 1033240715 /nfs/dbraw/zinc/24/07/15/1033240715.db2.gz OEHMBLDMIIIVNS-UHFFFAOYSA-N 1 2 343.471 3.693 20 0 EHADLO COc1ccccc1N1CCC[N@@H+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000897923355 1033240718 /nfs/dbraw/zinc/24/07/18/1033240718.db2.gz OEHMBLDMIIIVNS-UHFFFAOYSA-N 1 2 343.471 3.693 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000435387546 1024870390 /nfs/dbraw/zinc/87/03/90/1024870390.db2.gz AOVGTUWSSCHUIK-UHFFFAOYSA-N 1 2 346.519 3.943 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000441820545 1024878540 /nfs/dbraw/zinc/87/85/40/1024878540.db2.gz ZJSLVVANHAGCOD-GDBMZVCRSA-N 1 2 340.870 3.727 20 0 EHADLO CCCc1csc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)n1 ZINC000425369845 1024888705 /nfs/dbraw/zinc/88/87/05/1024888705.db2.gz MXUGSPZQTBNZDI-UHFFFAOYSA-N 1 2 337.876 3.786 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000563212196 1024896201 /nfs/dbraw/zinc/89/62/01/1024896201.db2.gz QQJFBUIYDBKFNJ-XYPHTWIQSA-N 1 2 343.389 3.630 20 0 EHADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000563212196 1024896215 /nfs/dbraw/zinc/89/62/15/1024896215.db2.gz QQJFBUIYDBKFNJ-XYPHTWIQSA-N 1 2 343.389 3.630 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000342331342 1024913899 /nfs/dbraw/zinc/91/38/99/1024913899.db2.gz DQEKOBRVNOFAAO-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3c(c2)CCC(=O)N3)n1-c1ccccc1 ZINC000327448212 1024920998 /nfs/dbraw/zinc/92/09/98/1024920998.db2.gz OKJVINAPAISFFY-UHFFFAOYSA-N 1 2 332.407 3.678 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157556853 1024950789 /nfs/dbraw/zinc/95/07/89/1024950789.db2.gz IYUUPTKSJCPKNX-GFCCVEGCSA-N 1 2 347.532 3.918 20 0 EHADLO Fc1ccc2occ(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001141858345 1024977729 /nfs/dbraw/zinc/97/77/29/1024977729.db2.gz ITEVDDPFAFTNMH-KRWDZBQOSA-N 1 2 338.373 3.877 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC000277405438 1024988979 /nfs/dbraw/zinc/98/89/79/1024988979.db2.gz LDQILJBCEITYCI-DTWKUNHWSA-N 1 2 343.294 3.993 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000515093588 1025013820 /nfs/dbraw/zinc/01/38/20/1025013820.db2.gz NDURIBCFLNFMOO-UYAOXDASSA-N 1 2 327.424 3.635 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000515093588 1025013830 /nfs/dbraw/zinc/01/38/30/1025013830.db2.gz NDURIBCFLNFMOO-UYAOXDASSA-N 1 2 327.424 3.635 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000515096872 1025016989 /nfs/dbraw/zinc/01/69/89/1025016989.db2.gz WZSLXZINNXQXNM-HOCLYGCPSA-N 1 2 338.386 3.931 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC001167533525 1025042636 /nfs/dbraw/zinc/04/26/36/1025042636.db2.gz FVNGWZYXHIVAHY-IUODEOHRSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC001167533525 1025042647 /nfs/dbraw/zinc/04/26/47/1025042647.db2.gz FVNGWZYXHIVAHY-IUODEOHRSA-N 1 2 346.368 3.619 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435660403 1025052278 /nfs/dbraw/zinc/05/22/78/1025052278.db2.gz VNEUYUOECCLMOJ-MBOZVWFJSA-N 1 2 341.426 3.754 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435663937 1025056228 /nfs/dbraw/zinc/05/62/28/1025056228.db2.gz PSQXFUFVOXCVGX-MISYRCLQSA-N 1 2 341.426 3.754 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000346761164 1025064052 /nfs/dbraw/zinc/06/40/52/1025064052.db2.gz DTFIUYGJKGHXGQ-UHFFFAOYSA-N 1 2 329.787 3.753 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C12CCC2 ZINC000152010485 1025077882 /nfs/dbraw/zinc/07/78/82/1025077882.db2.gz IYLGHENJEKHYOB-MGPQQGTHSA-N 1 2 339.505 3.663 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C12CCC2 ZINC000152010485 1025077892 /nfs/dbraw/zinc/07/78/92/1025077892.db2.gz IYLGHENJEKHYOB-MGPQQGTHSA-N 1 2 339.505 3.663 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000435706940 1025091720 /nfs/dbraw/zinc/09/17/20/1025091720.db2.gz UNGDOTAPCGOCHA-YOEHRIQHSA-N 1 2 346.862 3.862 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)sc1C ZINC000896045327 1025097390 /nfs/dbraw/zinc/09/73/90/1025097390.db2.gz MLWXLSHFSFYTPD-UHFFFAOYSA-N 1 2 348.472 3.792 20 0 EHADLO Cc1cn2cc(NC(=O)C3CCC(C(F)(F)F)CC3)ccc2[nH+]1 ZINC000435735437 1025114463 /nfs/dbraw/zinc/11/44/63/1025114463.db2.gz MVYQMQCXFDNEQH-UHFFFAOYSA-N 1 2 325.334 3.950 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(C2CCCC2)cc1 ZINC000520897922 1025119140 /nfs/dbraw/zinc/11/91/40/1025119140.db2.gz QOEWHMHUYNTNCK-UHFFFAOYSA-N 1 2 337.467 3.850 20 0 EHADLO C[C@H](Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1)n1cc[nH+]c1 ZINC000563234191 1025121580 /nfs/dbraw/zinc/12/15/80/1025121580.db2.gz VGLAYZWOHLYYLF-SECBINFHSA-N 1 2 340.280 3.895 20 0 EHADLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000346803160 1025124821 /nfs/dbraw/zinc/12/48/21/1025124821.db2.gz WXSQCHXYOFGGBC-UHFFFAOYSA-N 1 2 326.227 3.632 20 0 EHADLO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 ZINC000435767960 1025128305 /nfs/dbraw/zinc/12/83/05/1025128305.db2.gz MVRGOZSRTSCOCY-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO CC(C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000346794664 1025140245 /nfs/dbraw/zinc/14/02/45/1025140245.db2.gz WDXFXUOMTXIQMO-UHFFFAOYSA-N 1 2 325.437 3.658 20 0 EHADLO c1coc([C@@H](CNCc2csc(C3CC3)n2)[NH+]2CCCCC2)c1 ZINC000113313118 1025145660 /nfs/dbraw/zinc/14/56/60/1025145660.db2.gz PMCVCGHFSZQINL-MRXNPFEDSA-N 1 2 331.485 3.930 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc2[nH+]ccn21 ZINC000435817985 1025152257 /nfs/dbraw/zinc/15/22/57/1025152257.db2.gz LEWXQUSGXCNGQA-CQSZACIVSA-N 1 2 331.375 3.894 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@@]1=O ZINC000277456272 1025165296 /nfs/dbraw/zinc/16/52/96/1025165296.db2.gz KFOYDFGLEFUDNI-DMZKTXOQSA-N 1 2 337.485 3.897 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@@]1=O ZINC000277456272 1025165305 /nfs/dbraw/zinc/16/53/05/1025165305.db2.gz KFOYDFGLEFUDNI-DMZKTXOQSA-N 1 2 337.485 3.897 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)cs1 ZINC000665528187 1025172858 /nfs/dbraw/zinc/17/28/58/1025172858.db2.gz UFRKEHSHDAWCDM-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)CCC=C2 ZINC000342392716 1025173279 /nfs/dbraw/zinc/17/32/79/1025173279.db2.gz LPGPLZDBHXSPAQ-UHFFFAOYSA-N 1 2 343.430 3.821 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OC ZINC000277458893 1025179858 /nfs/dbraw/zinc/17/98/58/1025179858.db2.gz QEFKYTLSOLCRNW-ZIAGYGMSSA-N 1 2 346.475 3.966 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000896151039 1025187517 /nfs/dbraw/zinc/18/75/17/1025187517.db2.gz AMXPHUHDQDZYGZ-NSHDSACASA-N 1 2 346.843 3.624 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515391805 1025203638 /nfs/dbraw/zinc/20/36/38/1025203638.db2.gz CGZXPRHCEIXURG-OAHLLOKOSA-N 1 2 329.403 3.655 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000346858080 1025248342 /nfs/dbraw/zinc/24/83/42/1025248342.db2.gz VAJLDSGPPCPLPS-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000346858080 1025248354 /nfs/dbraw/zinc/24/83/54/1025248354.db2.gz VAJLDSGPPCPLPS-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccccc1[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccn1 ZINC000375666018 1025253966 /nfs/dbraw/zinc/25/39/66/1025253966.db2.gz SIWKYKZQXKMLBQ-DYESRHJHSA-N 1 2 348.450 3.580 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]cc3C3CC3)n2)CC1 ZINC000639472454 1025262686 /nfs/dbraw/zinc/26/26/86/1025262686.db2.gz OCWISVCVOXGDGV-UHFFFAOYSA-N 1 2 344.484 3.833 20 0 EHADLO Cc1ccsc1C[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000346874356 1025268688 /nfs/dbraw/zinc/26/86/88/1025268688.db2.gz UBFOBJAYJWCEDP-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO Cc1ccsc1C[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000346874356 1025268700 /nfs/dbraw/zinc/26/87/00/1025268700.db2.gz UBFOBJAYJWCEDP-SNVBAGLBSA-N 1 2 326.263 3.802 20 0 EHADLO C[N@H+](Cc1cncnc1)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143436264 1025273793 /nfs/dbraw/zinc/27/37/93/1025273793.db2.gz MEAQJRFCXIHKQH-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[N@@H+](Cc1cncnc1)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143436264 1025273804 /nfs/dbraw/zinc/27/38/04/1025273804.db2.gz MEAQJRFCXIHKQH-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CO[C@@H]1CCCC[C@H]1CC ZINC000346923669 1025299121 /nfs/dbraw/zinc/29/91/21/1025299121.db2.gz VKKNTPQGIVNTOW-QZTJIDSGSA-N 1 2 349.519 3.670 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000043926400 1025312449 /nfs/dbraw/zinc/31/24/49/1025312449.db2.gz ZGNBUGKMFOIHCQ-GFCCVEGCSA-N 1 2 334.851 3.517 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452242 1025320711 /nfs/dbraw/zinc/32/07/11/1025320711.db2.gz CMTNEPPXEUDBFA-CVEARBPZSA-N 1 2 329.362 3.504 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000425452242 1025320724 /nfs/dbraw/zinc/32/07/24/1025320724.db2.gz CMTNEPPXEUDBFA-CVEARBPZSA-N 1 2 329.362 3.504 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000611577038 1025336158 /nfs/dbraw/zinc/33/61/58/1025336158.db2.gz ZQWNMNFHJRXQSB-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000611577038 1025336170 /nfs/dbraw/zinc/33/61/70/1025336170.db2.gz ZQWNMNFHJRXQSB-INIZCTEOSA-N 1 2 332.831 3.806 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000281657778 1025339665 /nfs/dbraw/zinc/33/96/65/1025339665.db2.gz PZZXMWIHSVCGRA-QGZVFWFLSA-N 1 2 348.418 3.915 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)NCCCCNc1cccc[nH+]1 ZINC000521441769 1025379670 /nfs/dbraw/zinc/37/96/70/1025379670.db2.gz GNDYMSNGQUTNEE-UHFFFAOYSA-N 1 2 333.435 3.786 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346982793 1025383173 /nfs/dbraw/zinc/38/31/73/1025383173.db2.gz OCUKRLYAOZUUOU-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346982793 1025383188 /nfs/dbraw/zinc/38/31/88/1025383188.db2.gz OCUKRLYAOZUUOU-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346984667 1025385065 /nfs/dbraw/zinc/38/50/65/1025385065.db2.gz PAXNXTTUPGCEIS-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346984667 1025385077 /nfs/dbraw/zinc/38/50/77/1025385077.db2.gz PAXNXTTUPGCEIS-KRWDZBQOSA-N 1 2 327.453 3.579 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1nccn1C(C)C ZINC000657350767 1025393661 /nfs/dbraw/zinc/39/36/61/1025393661.db2.gz ZJEWDCUHGHARFU-UHFFFAOYSA-N 1 2 338.249 3.525 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cn2ccsc2n1 ZINC000425468083 1025394069 /nfs/dbraw/zinc/39/40/69/1025394069.db2.gz DLBRIJOYGTYEKK-HNNXBMFYSA-N 1 2 349.500 3.872 20 0 EHADLO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cn2ccsc2n1 ZINC000425468083 1025394083 /nfs/dbraw/zinc/39/40/83/1025394083.db2.gz DLBRIJOYGTYEKK-HNNXBMFYSA-N 1 2 349.500 3.872 20 0 EHADLO Fc1ccc2[nH]cc(CCNc3cc(N4CCCCC4)nc[nH+]3)c2c1 ZINC000342429261 1025395292 /nfs/dbraw/zinc/39/52/92/1025395292.db2.gz OOLUINCORGUCON-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO Fc1ccc2[nH]cc(CCNc3cc(N4CCCCC4)[nH+]cn3)c2c1 ZINC000342429261 1025395306 /nfs/dbraw/zinc/39/53/06/1025395306.db2.gz OOLUINCORGUCON-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000436166378 1025429263 /nfs/dbraw/zinc/42/92/63/1025429263.db2.gz QZAMGKUGOMYPPZ-SMDDNHRTSA-N 1 2 325.334 3.579 20 0 EHADLO COc1ccncc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000347041534 1025456009 /nfs/dbraw/zinc/45/60/09/1025456009.db2.gz YVSJJIUVZJJRQT-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccncc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000347041534 1025456016 /nfs/dbraw/zinc/45/60/16/1025456016.db2.gz YVSJJIUVZJJRQT-OXQOHEQNSA-N 1 2 326.440 3.669 20 0 EHADLO CC(C)CC1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000442747742 1025463948 /nfs/dbraw/zinc/46/39/48/1025463948.db2.gz APPBJTYNXFVNFS-GJZGRUSLSA-N 1 2 338.492 3.603 20 0 EHADLO CC(C)CC1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000442747742 1025463951 /nfs/dbraw/zinc/46/39/51/1025463951.db2.gz APPBJTYNXFVNFS-GJZGRUSLSA-N 1 2 338.492 3.603 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ncoc3-c3ccccc3)[nH+]cn2)C1 ZINC000582161308 1025484954 /nfs/dbraw/zinc/48/49/54/1025484954.db2.gz ORQNSZHEYLYZJH-OAHLLOKOSA-N 1 2 349.438 3.980 20 0 EHADLO C[C@@H]1CCCN(c2cc(NCc3ncoc3-c3ccccc3)nc[nH+]2)C1 ZINC000582161308 1025484959 /nfs/dbraw/zinc/48/49/59/1025484959.db2.gz ORQNSZHEYLYZJH-OAHLLOKOSA-N 1 2 349.438 3.980 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)nc1 ZINC000451044117 1025492038 /nfs/dbraw/zinc/49/20/38/1025492038.db2.gz YKKJYZFBZRQKLF-INIZCTEOSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)nc1 ZINC000451044117 1025492052 /nfs/dbraw/zinc/49/20/52/1025492052.db2.gz YKKJYZFBZRQKLF-INIZCTEOSA-N 1 2 330.453 3.903 20 0 EHADLO FC(F)(F)c1cc(C[NH+]2CCC(COc3ccccc3)CC2)[nH]n1 ZINC000442795391 1025492474 /nfs/dbraw/zinc/49/24/74/1025492474.db2.gz FBPVDKLISBIJGS-UHFFFAOYSA-N 1 2 339.361 3.720 20 0 EHADLO CC1=CCC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000436250117 1025508009 /nfs/dbraw/zinc/50/80/09/1025508009.db2.gz BLXJFYZEFVBJHE-HNNXBMFYSA-N 1 2 333.501 3.849 20 0 EHADLO CC1=CCC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000436250117 1025508019 /nfs/dbraw/zinc/50/80/19/1025508019.db2.gz BLXJFYZEFVBJHE-HNNXBMFYSA-N 1 2 333.501 3.849 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000425514693 1025575271 /nfs/dbraw/zinc/57/52/71/1025575271.db2.gz QWWKFLBWXYYYIO-GOSISDBHSA-N 1 2 334.391 3.521 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000425514693 1025575279 /nfs/dbraw/zinc/57/52/79/1025575279.db2.gz QWWKFLBWXYYYIO-GOSISDBHSA-N 1 2 334.391 3.521 20 0 EHADLO CCCCN([C@@H](C)CC)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442917382 1025583138 /nfs/dbraw/zinc/58/31/38/1025583138.db2.gz AIQPDHFHLQQBRU-INIZCTEOSA-N 1 2 349.500 3.521 20 0 EHADLO COC(=O)[C@@H](NCc1c[nH+]cn1C(C)C)c1cccc2ccccc21 ZINC000896543379 1025586524 /nfs/dbraw/zinc/58/65/24/1025586524.db2.gz POPIHPJMPJBUGL-IBGZPJMESA-N 1 2 337.423 3.621 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2C1 ZINC000347169788 1025609621 /nfs/dbraw/zinc/60/96/21/1025609621.db2.gz MPPWAOJMVMFLOY-CYBMUJFWSA-N 1 2 343.496 3.678 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N(C)C(=O)C3CC3)cc2)c1C ZINC000896566062 1025613086 /nfs/dbraw/zinc/61/30/86/1025613086.db2.gz OKJKCEIACUBTDN-UHFFFAOYSA-N 1 2 339.439 3.692 20 0 EHADLO O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281872912 1025620708 /nfs/dbraw/zinc/62/07/08/1025620708.db2.gz CQMSDPAGURWICD-IENJSVCTSA-N 1 2 335.451 3.639 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000303706126 1025634477 /nfs/dbraw/zinc/63/44/77/1025634477.db2.gz PCXRQTVOHKFTJK-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1nncn1C ZINC000347187701 1025635980 /nfs/dbraw/zinc/63/59/80/1025635980.db2.gz ZXTIKXBMUGRMFQ-CYBMUJFWSA-N 1 2 348.319 3.599 20 0 EHADLO CC(C)(CC(=O)NCc1ccn2cc[nH+]c2c1)CC(=O)c1ccccc1 ZINC000281893055 1025644805 /nfs/dbraw/zinc/64/48/05/1025644805.db2.gz HFXHSAZINUUEQX-UHFFFAOYSA-N 1 2 349.434 3.640 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000443013575 1025664845 /nfs/dbraw/zinc/66/48/45/1025664845.db2.gz LPPNMOYQEPWKTC-AEFFLSMTSA-N 1 2 344.503 3.840 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000443065258 1025682925 /nfs/dbraw/zinc/68/29/25/1025682925.db2.gz HXMKHLJPDZRBLB-ZDUSSCGKSA-N 1 2 347.768 3.901 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000443065258 1025682935 /nfs/dbraw/zinc/68/29/35/1025682935.db2.gz HXMKHLJPDZRBLB-ZDUSSCGKSA-N 1 2 347.768 3.901 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2Cc3cccc(C)c3CC2(C)C)n1 ZINC000451259296 1025713620 /nfs/dbraw/zinc/71/36/20/1025713620.db2.gz HXIBXFXSCSGMOC-AWEZNQCLSA-N 1 2 329.444 3.812 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2Cc3cccc(C)c3CC2(C)C)n1 ZINC000451259296 1025713632 /nfs/dbraw/zinc/71/36/32/1025713632.db2.gz HXIBXFXSCSGMOC-AWEZNQCLSA-N 1 2 329.444 3.812 20 0 EHADLO C[C@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000081317125 1025748464 /nfs/dbraw/zinc/74/84/64/1025748464.db2.gz YXSJKNNITAUXRG-GOEBONIOSA-N 1 2 339.464 3.685 20 0 EHADLO O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1cccc2[nH+]ccn21 ZINC000783409797 1025754408 /nfs/dbraw/zinc/75/44/08/1025754408.db2.gz UGUORWLFJRYQBT-UHFFFAOYSA-N 1 2 348.402 3.529 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000158297384 1025781085 /nfs/dbraw/zinc/78/10/85/1025781085.db2.gz DJPIYFOZDLMDNP-HNNXBMFYSA-N 1 2 337.423 3.862 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000158297384 1025781097 /nfs/dbraw/zinc/78/10/97/1025781097.db2.gz DJPIYFOZDLMDNP-HNNXBMFYSA-N 1 2 337.423 3.862 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000684820547 1025834114 /nfs/dbraw/zinc/83/41/14/1025834114.db2.gz CFIBNZKYKJDHOD-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2OC(C)C)c1OC ZINC000530452143 1025855407 /nfs/dbraw/zinc/85/54/07/1025855407.db2.gz REOQITMBHJKQBX-CQSZACIVSA-N 1 2 330.428 3.737 20 0 EHADLO Cc1cc(C(=O)CCC(=O)Nc2ccn3cc[nH+]c3c2)c(C)s1 ZINC000684821583 1025863594 /nfs/dbraw/zinc/86/35/94/1025863594.db2.gz VSYRQWVOLROXRN-UHFFFAOYSA-N 1 2 327.409 3.614 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000896680641 1025867219 /nfs/dbraw/zinc/86/72/19/1025867219.db2.gz ADJJKUKIIFIMRN-YJBOKZPZSA-N 1 2 325.456 3.579 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCc2noc(C3CC3)n2)c1 ZINC000582341492 1025903802 /nfs/dbraw/zinc/90/38/02/1025903802.db2.gz FEXDWFAYSICLDW-UHFFFAOYSA-N 1 2 334.301 3.548 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000451408302 1025913524 /nfs/dbraw/zinc/91/35/24/1025913524.db2.gz XLTPCAJRJNKRIB-RTBURBONSA-N 1 2 337.467 3.762 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000522069559 1025922801 /nfs/dbraw/zinc/92/28/01/1025922801.db2.gz XPJGHUXYUFPQCQ-CYBMUJFWSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000522069559 1025922813 /nfs/dbraw/zinc/92/28/13/1025922813.db2.gz XPJGHUXYUFPQCQ-CYBMUJFWSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3cccc4ccccc43)[nH+]c12 ZINC000522070056 1025923482 /nfs/dbraw/zinc/92/34/82/1025923482.db2.gz ZQMZPTKBLBYSEH-UHFFFAOYSA-N 1 2 329.403 3.655 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)[nH+]c1C ZINC000896910103 1025937075 /nfs/dbraw/zinc/93/70/75/1025937075.db2.gz LQEUIINMCOBIDH-OCCSQVGLSA-N 1 2 335.810 3.629 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404076 1025937426 /nfs/dbraw/zinc/93/74/26/1025937426.db2.gz FRGXSBYRAAYRTO-WCBMZHEXSA-N 1 2 329.288 3.602 20 0 EHADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)c1C(F)(F)F ZINC000451404076 1025937440 /nfs/dbraw/zinc/93/74/40/1025937440.db2.gz FRGXSBYRAAYRTO-WCBMZHEXSA-N 1 2 329.288 3.602 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000158434090 1025953547 /nfs/dbraw/zinc/95/35/47/1025953547.db2.gz OVSUXFXNDSJBDU-CYBMUJFWSA-N 1 2 341.484 3.505 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(O)c1 ZINC000436638967 1025966948 /nfs/dbraw/zinc/96/69/48/1025966948.db2.gz AFPBWLONPGQFIR-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO Clc1cnccc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000684836199 1025992580 /nfs/dbraw/zinc/99/25/80/1025992580.db2.gz AVRAIGUBGCBLDV-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO Clc1cnccc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000684836199 1025992590 /nfs/dbraw/zinc/99/25/90/1025992590.db2.gz AVRAIGUBGCBLDV-UHFFFAOYSA-N 1 2 338.842 3.770 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000417820172 1026032562 /nfs/dbraw/zinc/03/25/62/1026032562.db2.gz CMRPTALHRSCAJS-UHFFFAOYSA-N 1 2 341.459 3.923 20 0 EHADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)n1C1CCCCC1 ZINC000896922063 1026044917 /nfs/dbraw/zinc/04/49/17/1026044917.db2.gz XCGQKROFVNLXHD-UHFFFAOYSA-N 1 2 328.460 3.880 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451525204 1026078007 /nfs/dbraw/zinc/07/80/07/1026078007.db2.gz FQFOANINJDJRBA-XHDPSFHLSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451525204 1026078017 /nfs/dbraw/zinc/07/80/17/1026078017.db2.gz FQFOANINJDJRBA-XHDPSFHLSA-N 1 2 345.270 3.679 20 0 EHADLO Cc1oc(C(C)C)nc1-c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820988 1026085216 /nfs/dbraw/zinc/08/52/16/1026085216.db2.gz NSBANGWRLGHICS-UHFFFAOYSA-N 1 2 349.394 3.933 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000623233706 1026086256 /nfs/dbraw/zinc/08/62/56/1026086256.db2.gz JHTHZKZVEHDTRG-AZUAARDMSA-N 1 2 348.446 3.736 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)n1 ZINC000103465438 1026091076 /nfs/dbraw/zinc/09/10/76/1026091076.db2.gz FEDLDSVTOJKEGI-HXUWFJFHSA-N 1 2 345.487 3.944 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)[nH+]c1C ZINC000895194493 1026092370 /nfs/dbraw/zinc/09/23/70/1026092370.db2.gz ZEJZYSFUCBELEF-HNNXBMFYSA-N 1 2 329.354 3.589 20 0 EHADLO Fc1cc(C[NH+]2CCC3(COC3)CC2)c(Cl)cc1Br ZINC001141920234 1026101512 /nfs/dbraw/zinc/10/15/12/1026101512.db2.gz OHEQYSNIBAKOBE-UHFFFAOYSA-N 1 2 348.643 3.854 20 0 EHADLO CS[C@@H](C)CCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822243 1026107911 /nfs/dbraw/zinc/10/79/11/1026107911.db2.gz AKYQORWKIHXSHZ-ZDUSSCGKSA-N 1 2 328.441 3.530 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451562031 1026136702 /nfs/dbraw/zinc/13/67/02/1026136702.db2.gz CFMNJBGEDIGZCQ-AWEZNQCLSA-N 1 2 332.245 3.537 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451562031 1026136709 /nfs/dbraw/zinc/13/67/09/1026136709.db2.gz CFMNJBGEDIGZCQ-AWEZNQCLSA-N 1 2 332.245 3.537 20 0 EHADLO C[C@H]1CCN(C(=O)c2cscc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000896980983 1026179360 /nfs/dbraw/zinc/17/93/60/1026179360.db2.gz QJSGNGSRWAAQMP-GXFFZTMASA-N 1 2 325.384 3.606 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451672148 1026203592 /nfs/dbraw/zinc/20/35/92/1026203592.db2.gz ROPUSGPCPSPTKC-JXXFODFXSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000582423550 1026221815 /nfs/dbraw/zinc/22/18/15/1026221815.db2.gz CGRUXJSGELUNFM-VIFPVBQESA-N 1 2 329.734 3.728 20 0 EHADLO Cc1cc([C@@H]([NH2+]Cc2cnnn2C)c2ccccc2Cl)ccc1F ZINC000530714082 1026221716 /nfs/dbraw/zinc/22/17/16/1026221716.db2.gz JOIKMAOSMUWMOR-GOSISDBHSA-N 1 2 344.821 3.795 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)no2)cc1 ZINC000530756578 1026267324 /nfs/dbraw/zinc/26/73/24/1026267324.db2.gz XVUABZZTXKAWKZ-QGZVFWFLSA-N 1 2 335.407 3.562 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CC[C@@H]3Cc3ccccc3)no2)cc1 ZINC000530756578 1026267332 /nfs/dbraw/zinc/26/73/32/1026267332.db2.gz XVUABZZTXKAWKZ-QGZVFWFLSA-N 1 2 335.407 3.562 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000897065063 1026291084 /nfs/dbraw/zinc/29/10/84/1026291084.db2.gz MRVWMVIIXOWMTP-UHFFFAOYSA-N 1 2 332.791 3.502 20 0 EHADLO Cc1ccc2[nH]c(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc2c1 ZINC000530780412 1026297674 /nfs/dbraw/zinc/29/76/74/1026297674.db2.gz GCDDRYZWCOZLLV-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843506 1026339511 /nfs/dbraw/zinc/33/95/11/1026339511.db2.gz GHNZEYZEAHJAQU-IFXJQAMLSA-N 1 2 328.456 3.596 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843506 1026339526 /nfs/dbraw/zinc/33/95/26/1026339526.db2.gz GHNZEYZEAHJAQU-IFXJQAMLSA-N 1 2 328.456 3.596 20 0 EHADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1cccc2ccccc21 ZINC000122290721 1026344863 /nfs/dbraw/zinc/34/48/63/1026344863.db2.gz IXMBHPPAPUTUHA-UHFFFAOYSA-N 1 2 331.419 3.838 20 0 EHADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1cccc2ccccc21 ZINC000122290721 1026344878 /nfs/dbraw/zinc/34/48/78/1026344878.db2.gz IXMBHPPAPUTUHA-UHFFFAOYSA-N 1 2 331.419 3.838 20 0 EHADLO FC(F)c1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000475204862 1026371000 /nfs/dbraw/zinc/37/10/00/1026371000.db2.gz JYOFXEMKXDWXEZ-SFHVURJKSA-N 1 2 333.378 3.904 20 0 EHADLO FC(F)c1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000475204862 1026371013 /nfs/dbraw/zinc/37/10/13/1026371013.db2.gz JYOFXEMKXDWXEZ-SFHVURJKSA-N 1 2 333.378 3.904 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(-c2ccccc2)ns1 ZINC000530871106 1026371155 /nfs/dbraw/zinc/37/11/55/1026371155.db2.gz NDJGKMRDGJOWLB-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C2CC2)cc1 ZINC000582475209 1026381095 /nfs/dbraw/zinc/38/10/95/1026381095.db2.gz FVKRUKQXJBZWKH-KBXCAEBGSA-N 1 2 338.455 3.558 20 0 EHADLO COc1cc(F)c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1OC ZINC000582489819 1026413075 /nfs/dbraw/zinc/41/30/75/1026413075.db2.gz JCUURZYVUAHSOV-UHFFFAOYSA-N 1 2 348.418 3.705 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000451994340 1026426656 /nfs/dbraw/zinc/42/66/56/1026426656.db2.gz QADUVTCDALLDOS-QGZVFWFLSA-N 1 2 328.435 3.789 20 0 EHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000451994340 1026426666 /nfs/dbraw/zinc/42/66/66/1026426666.db2.gz QADUVTCDALLDOS-QGZVFWFLSA-N 1 2 328.435 3.789 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511140341 1026440656 /nfs/dbraw/zinc/44/06/56/1026440656.db2.gz SXOXWMSPWOKHSL-GFCCVEGCSA-N 1 2 347.377 3.790 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511140341 1026440657 /nfs/dbraw/zinc/44/06/57/1026440657.db2.gz SXOXWMSPWOKHSL-GFCCVEGCSA-N 1 2 347.377 3.790 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652295 1026445306 /nfs/dbraw/zinc/44/53/06/1026445306.db2.gz CZGWXSGQMXFJDN-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652295 1026445315 /nfs/dbraw/zinc/44/53/15/1026445315.db2.gz CZGWXSGQMXFJDN-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc([C@H]4CCOC5(CCCC5)C4)no3)ccn12 ZINC000897184376 1026464715 /nfs/dbraw/zinc/46/47/15/1026464715.db2.gz QADHMHYOQLJICR-HNNXBMFYSA-N 1 2 338.411 3.900 20 0 EHADLO COc1ccccc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000582520094 1026470310 /nfs/dbraw/zinc/47/03/10/1026470310.db2.gz YVZFZNGVAIEQNZ-UHFFFAOYSA-N 1 2 344.308 3.982 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@](=O)C1 ZINC000277662661 1026471974 /nfs/dbraw/zinc/47/19/74/1026471974.db2.gz ZXZIAKSAGCZVLJ-MCMMXHMISA-N 1 2 337.872 3.800 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@](=O)C1 ZINC000277662661 1026471984 /nfs/dbraw/zinc/47/19/84/1026471984.db2.gz ZXZIAKSAGCZVLJ-MCMMXHMISA-N 1 2 337.872 3.800 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1 ZINC000531052352 1026511917 /nfs/dbraw/zinc/51/19/17/1026511917.db2.gz IQMGHHLKBITLTC-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO Cc1noc([C@@H](C)[N@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000680817205 1026522961 /nfs/dbraw/zinc/52/29/61/1026522961.db2.gz AARIPMKVEAQXAR-LLVKDONJSA-N 1 2 348.244 3.991 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000680817205 1026522968 /nfs/dbraw/zinc/52/29/68/1026522968.db2.gz AARIPMKVEAQXAR-LLVKDONJSA-N 1 2 348.244 3.991 20 0 EHADLO Cc1ccccc1C[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475366069 1026523643 /nfs/dbraw/zinc/52/36/43/1026523643.db2.gz GGMWXGOEQMRIAZ-LJQANCHMSA-N 1 2 348.450 3.559 20 0 EHADLO CCC(C)(C)N(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000684907049 1026535412 /nfs/dbraw/zinc/53/54/12/1026535412.db2.gz BSQBZNUEMQEONS-UHFFFAOYSA-N 1 2 332.492 3.792 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000582554935 1026575687 /nfs/dbraw/zinc/57/56/87/1026575687.db2.gz XZHGRJRJJPHPTI-FUHWJXTLSA-N 1 2 344.842 3.829 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000582554935 1026575697 /nfs/dbraw/zinc/57/56/97/1026575697.db2.gz XZHGRJRJJPHPTI-FUHWJXTLSA-N 1 2 344.842 3.829 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@]2(C)CC2(C)C)C[C@H](C)O1 ZINC000665625946 1026615923 /nfs/dbraw/zinc/61/59/23/1026615923.db2.gz PDSWAJSUNTZEIZ-QEEYODRMSA-N 1 2 345.487 3.606 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@]2(C)CC2(C)C)C[C@H](C)O1 ZINC000665625946 1026615936 /nfs/dbraw/zinc/61/59/36/1026615936.db2.gz PDSWAJSUNTZEIZ-QEEYODRMSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)cccc1-c1ccccn1 ZINC000122637707 1026630633 /nfs/dbraw/zinc/63/06/33/1026630633.db2.gz UCRHVJUSPRQPFX-UHFFFAOYSA-N 1 2 346.434 3.684 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccnn1C ZINC000192960894 1026654724 /nfs/dbraw/zinc/65/47/24/1026654724.db2.gz MITTZIXUGKWQSO-UGSOOPFHSA-N 1 2 326.831 3.909 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)nc(C(C)C)[nH+]1 ZINC000301059329 1026670954 /nfs/dbraw/zinc/67/09/54/1026670954.db2.gz KWCWHWJRCNRSKD-HNNXBMFYSA-N 1 2 336.443 3.687 20 0 EHADLO Cc1ccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1 ZINC000301064276 1026671109 /nfs/dbraw/zinc/67/11/09/1026671109.db2.gz APNBEIHWODXCCL-UHFFFAOYSA-N 1 2 333.439 3.936 20 0 EHADLO CSC[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277718562 1026675754 /nfs/dbraw/zinc/67/57/54/1026675754.db2.gz ODUQQIVYTXDTEA-CYBMUJFWSA-N 1 2 329.469 3.824 20 0 EHADLO FC(F)(F)c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000301107589 1026688051 /nfs/dbraw/zinc/68/80/51/1026688051.db2.gz URIDQFZAWUBMFC-UHFFFAOYSA-N 1 2 332.329 3.957 20 0 EHADLO COCC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301235523 1026733725 /nfs/dbraw/zinc/73/37/25/1026733725.db2.gz LMIMLOWQTFHYHP-UHFFFAOYSA-N 1 2 335.245 3.860 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342695204 1026737977 /nfs/dbraw/zinc/73/79/77/1026737977.db2.gz PCRZERKEXKETGD-LJQANCHMSA-N 1 2 340.854 3.785 20 0 EHADLO c1ccc(OCC2CC2)c(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301336788 1026766464 /nfs/dbraw/zinc/76/64/64/1026766464.db2.gz DLVOJWMFRRMFKZ-UHFFFAOYSA-N 1 2 338.455 3.868 20 0 EHADLO c1ccc(OCC2CC2)c(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301336788 1026766476 /nfs/dbraw/zinc/76/64/76/1026766476.db2.gz DLVOJWMFRRMFKZ-UHFFFAOYSA-N 1 2 338.455 3.868 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301416872 1026798598 /nfs/dbraw/zinc/79/85/98/1026798598.db2.gz FSBQMCAWLQEQEB-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cccc(-n2cccn2)c1 ZINC000301416872 1026798608 /nfs/dbraw/zinc/79/86/08/1026798608.db2.gz FSBQMCAWLQEQEB-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1ccccc1 ZINC000531324192 1026812314 /nfs/dbraw/zinc/81/23/14/1026812314.db2.gz PXPXLYQUOSLUSY-SJORKVTESA-N 1 2 333.435 3.853 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC001625944178 1026830945 /nfs/dbraw/zinc/83/09/45/1026830945.db2.gz FFPRYQPSRFTJPQ-WFTPILKQSA-N 1 2 344.499 3.720 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC001625944178 1026830952 /nfs/dbraw/zinc/83/09/52/1026830952.db2.gz FFPRYQPSRFTJPQ-WFTPILKQSA-N 1 2 344.499 3.720 20 0 EHADLO c1cc(CNc2nc(C3CC3)ns2)cc(N2CCCCCC2)[nH+]1 ZINC000301532743 1026843316 /nfs/dbraw/zinc/84/33/16/1026843316.db2.gz SKNKLZCWVFCJPH-UHFFFAOYSA-N 1 2 329.473 3.803 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccc(CS(C)(=O)=O)cc1 ZINC000301572068 1026859028 /nfs/dbraw/zinc/85/90/28/1026859028.db2.gz OLGJKJXQJXSAIE-UHFFFAOYSA-N 1 2 340.448 3.700 20 0 EHADLO CCc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416453 1026859579 /nfs/dbraw/zinc/85/95/79/1026859579.db2.gz UDZUWDZSKMFVIP-QFIPXVFZSA-N 1 2 345.446 3.962 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000152937158 1026878525 /nfs/dbraw/zinc/87/85/25/1026878525.db2.gz IVDOKTVWMMQWPV-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO Clc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000301635355 1026882247 /nfs/dbraw/zinc/88/22/47/1026882247.db2.gz LFEWSFTWZXILPO-OAHLLOKOSA-N 1 2 325.799 3.941 20 0 EHADLO COc1cccc(C[C@H](C)CC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC001125614301 1026899273 /nfs/dbraw/zinc/89/92/73/1026899273.db2.gz SLBGHIJPMDPTME-AWEZNQCLSA-N 1 2 337.423 3.859 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000531433042 1026906977 /nfs/dbraw/zinc/90/69/77/1026906977.db2.gz XWXLXSFWLMFGNX-INIZCTEOSA-N 1 2 329.444 3.582 20 0 EHADLO C[NH+](C)[C@@H](CNc1nnc(C(C)(C)C)s1)c1c(F)cccc1F ZINC000301715587 1026911704 /nfs/dbraw/zinc/91/17/04/1026911704.db2.gz GRIGOKJVGZNOPO-LBPRGKRZSA-N 1 2 340.443 3.829 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301771097 1026932235 /nfs/dbraw/zinc/93/22/35/1026932235.db2.gz PLGPVMBCXUXODB-GFCCVEGCSA-N 1 2 348.903 3.952 20 0 EHADLO CC(C)c1cc(NCCNC(=O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301830564 1026956361 /nfs/dbraw/zinc/95/63/61/1026956361.db2.gz RXOBVMFMTVJASI-UHFFFAOYSA-N 1 2 326.444 3.565 20 0 EHADLO COc1cc(F)c([C@H](C)Nc2cc(NCC3CC3)[nH+]cn2)cc1OC ZINC000301832868 1026957021 /nfs/dbraw/zinc/95/70/21/1026957021.db2.gz RPYLLHLHPFSAAY-NSHDSACASA-N 1 2 346.406 3.628 20 0 EHADLO COc1cc(F)c([C@H](C)Nc2cc(NCC3CC3)nc[nH+]2)cc1OC ZINC000301832868 1026957028 /nfs/dbraw/zinc/95/70/28/1026957028.db2.gz RPYLLHLHPFSAAY-NSHDSACASA-N 1 2 346.406 3.628 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCOc1ccc(Cl)cc1 ZINC000301840200 1026958840 /nfs/dbraw/zinc/95/88/40/1026958840.db2.gz OTEQFPRYPHXPCG-UHFFFAOYSA-N 1 2 345.834 3.726 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1nc(C)cs1 ZINC000301858622 1026967038 /nfs/dbraw/zinc/96/70/38/1026967038.db2.gz CWFAHOGFJKRQMH-LBPRGKRZSA-N 1 2 330.461 3.909 20 0 EHADLO CSc1cccc(C)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000375730029 1026976059 /nfs/dbraw/zinc/97/60/59/1026976059.db2.gz HUJIJRSOMUZKJC-OAHLLOKOSA-N 1 2 343.452 3.797 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1(c2cccc(F)c2)CC1 ZINC000301900727 1026987784 /nfs/dbraw/zinc/98/77/84/1026987784.db2.gz UZLYTCPYAGBBCG-UHFFFAOYSA-N 1 2 339.418 3.864 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000548752871 1026994912 /nfs/dbraw/zinc/99/49/12/1026994912.db2.gz ADBJFQUBOMNADO-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000548752871 1026994916 /nfs/dbraw/zinc/99/49/16/1026994916.db2.gz ADBJFQUBOMNADO-OCAPTIKFSA-N 1 2 328.235 3.543 20 0 EHADLO C[C@H](C[C@H](O)c1cccs1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301926121 1026997495 /nfs/dbraw/zinc/99/74/95/1026997495.db2.gz MRQGTWKAIISOGP-YPMHNXCESA-N 1 2 345.472 3.567 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123147918 1027002180 /nfs/dbraw/zinc/00/21/80/1027002180.db2.gz ZBZMEEKIOVGPNJ-RDTXWAMCSA-N 1 2 347.409 3.594 20 0 EHADLO CCc1ncnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1F ZINC000301999141 1027018647 /nfs/dbraw/zinc/01/86/47/1027018647.db2.gz PPUHFRMGOCMKJJ-ZDUSSCGKSA-N 1 2 348.853 3.715 20 0 EHADLO CCc1cnc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000342779840 1027020766 /nfs/dbraw/zinc/02/07/66/1027020766.db2.gz OCGMYZWSUVLILA-AWEZNQCLSA-N 1 2 326.425 3.589 20 0 EHADLO Fc1cc2ncc(NCc3ccccc3-n3cc[nH+]c3)nc2cc1F ZINC000302013140 1027023191 /nfs/dbraw/zinc/02/31/91/1027023191.db2.gz ZTHJFYKAWYKNIG-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO Cc1ccc(-c2noc(NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000302031240 1027028657 /nfs/dbraw/zinc/02/86/57/1027028657.db2.gz IMKBHTWCMDUVQD-UHFFFAOYSA-N 1 2 335.411 3.521 20 0 EHADLO O=C1[C@@H](Nc2cccc[nH+]2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000302057098 1027038505 /nfs/dbraw/zinc/03/85/05/1027038505.db2.gz QVBWCLKDLLHJHD-HNNXBMFYSA-N 1 2 349.356 3.704 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000302068339 1027041923 /nfs/dbraw/zinc/04/19/23/1027041923.db2.gz SYRQAHCIEMIKCK-IRXDYDNUSA-N 1 2 332.492 3.863 20 0 EHADLO CCC(CC)[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000302068339 1027041931 /nfs/dbraw/zinc/04/19/31/1027041931.db2.gz SYRQAHCIEMIKCK-IRXDYDNUSA-N 1 2 332.492 3.863 20 0 EHADLO C[C@@H](Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[N@H+](C)CCO1 ZINC000302103269 1027054028 /nfs/dbraw/zinc/05/40/28/1027054028.db2.gz WBPGQLUADXLRAT-IAQYHMDHSA-N 1 2 337.876 3.595 20 0 EHADLO C[C@@H](Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[N@@H+](C)CCO1 ZINC000302103269 1027054034 /nfs/dbraw/zinc/05/40/34/1027054034.db2.gz WBPGQLUADXLRAT-IAQYHMDHSA-N 1 2 337.876 3.595 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000074588807 1027054340 /nfs/dbraw/zinc/05/43/40/1027054340.db2.gz SFUZADJNGHRHKS-INIZCTEOSA-N 1 2 349.409 3.950 20 0 EHADLO Clc1ccccc1-c1nnc(N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000302107773 1027055449 /nfs/dbraw/zinc/05/54/49/1027055449.db2.gz OFYYUGKTKCYXBY-UHFFFAOYSA-N 1 2 345.859 3.897 20 0 EHADLO CC(C)(C)C[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1(C)C ZINC000665702058 1027088769 /nfs/dbraw/zinc/08/87/69/1027088769.db2.gz WDKUHRCJXALRDJ-INIZCTEOSA-N 1 2 334.508 3.910 20 0 EHADLO CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000272766677 1027103440 /nfs/dbraw/zinc/10/34/40/1027103440.db2.gz QBAVZIVOFRTXEH-QAPCUYQASA-N 1 2 327.428 3.652 20 0 EHADLO FC(F)(F)Oc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000302253956 1027111036 /nfs/dbraw/zinc/11/10/36/1027111036.db2.gz BHGJKSXAQRMZEX-UHFFFAOYSA-N 1 2 348.328 3.837 20 0 EHADLO C[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000125774953 1027122654 /nfs/dbraw/zinc/12/26/54/1027122654.db2.gz GSZCFTDFBXARME-HYLHYLHVSA-N 1 2 327.472 3.509 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)[nH+]c12 ZINC000075390039 1027126044 /nfs/dbraw/zinc/12/60/44/1027126044.db2.gz RPPBGUBNZOMTGP-WMLDXEAASA-N 1 2 337.423 3.778 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3CC(C)C)cn2c1 ZINC000501202577 1027130625 /nfs/dbraw/zinc/13/06/25/1027130625.db2.gz IIGJKTLHNWLSQY-QGZVFWFLSA-N 1 2 345.512 3.913 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000153155500 1027130815 /nfs/dbraw/zinc/13/08/15/1027130815.db2.gz ZNNGCBRYZYUBTP-KBPBESRZSA-N 1 2 346.500 3.553 20 0 EHADLO Cc1ccc(CCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075533792 1027145594 /nfs/dbraw/zinc/14/55/94/1027145594.db2.gz KJTQYTRCHCMFBC-SFHVURJKSA-N 1 2 325.456 3.837 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000126033425 1027154270 /nfs/dbraw/zinc/15/42/70/1027154270.db2.gz AMGJSYKXCBJYRO-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551197 1027167308 /nfs/dbraw/zinc/16/73/08/1027167308.db2.gz WCLKBGLGMSBMSO-AWEZNQCLSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000075552374 1027167762 /nfs/dbraw/zinc/16/77/62/1027167762.db2.gz CJLYYLYBSXGLAA-ZDUSSCGKSA-N 1 2 329.831 3.501 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553976 1027169335 /nfs/dbraw/zinc/16/93/35/1027169335.db2.gz CWFYCRPANJZLNF-NSHDSACASA-N 1 2 329.787 3.829 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)csc2C1 ZINC000075552452 1027169368 /nfs/dbraw/zinc/16/93/68/1027169368.db2.gz WXEFKTXBUUNTQG-QWHCGFSZSA-N 1 2 329.469 3.616 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555834 1027171529 /nfs/dbraw/zinc/17/15/29/1027171529.db2.gz AXOKETWWUMLCGD-LBPRGKRZSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2nc(CC(F)(F)F)no2)c1 ZINC000075674494 1027190326 /nfs/dbraw/zinc/19/03/26/1027190326.db2.gz NKYXNDZSPBNYHA-GFCCVEGCSA-N 1 2 327.350 3.984 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2nc(CC(F)(F)F)no2)c1 ZINC000075674494 1027190336 /nfs/dbraw/zinc/19/03/36/1027190336.db2.gz NKYXNDZSPBNYHA-GFCCVEGCSA-N 1 2 327.350 3.984 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCCS2)C[C@H](C)O1 ZINC000272957271 1027197747 /nfs/dbraw/zinc/19/77/47/1027197747.db2.gz LOCRPAAEYIKCKN-DAYGRLMNSA-N 1 2 348.512 3.520 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCCS2)C[C@H](C)O1 ZINC000272957271 1027197759 /nfs/dbraw/zinc/19/77/59/1027197759.db2.gz LOCRPAAEYIKCKN-DAYGRLMNSA-N 1 2 348.512 3.520 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000076053427 1027230969 /nfs/dbraw/zinc/23/09/69/1027230969.db2.gz FFUVBSVUEZBEDL-DZGCQCFKSA-N 1 2 338.411 3.806 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076084754 1027237903 /nfs/dbraw/zinc/23/79/03/1027237903.db2.gz QJXFXKSHHHXJDF-GOSISDBHSA-N 1 2 340.471 3.712 20 0 EHADLO CC[N@H+](CC(=O)NCc1sccc1C)Cc1ccc(Cl)s1 ZINC000097473956 1027267166 /nfs/dbraw/zinc/26/71/66/1027267166.db2.gz SVYKDZWMRAKODZ-UHFFFAOYSA-N 1 2 342.917 3.910 20 0 EHADLO CC[N@@H+](CC(=O)NCc1sccc1C)Cc1ccc(Cl)s1 ZINC000097473956 1027267181 /nfs/dbraw/zinc/26/71/81/1027267181.db2.gz SVYKDZWMRAKODZ-UHFFFAOYSA-N 1 2 342.917 3.910 20 0 EHADLO CCc1ccc([C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C(C)C)cc1 ZINC000302783409 1027289561 /nfs/dbraw/zinc/28/95/61/1027289561.db2.gz KYFXXZRGDJQWQI-HXUWFJFHSA-N 1 2 340.471 3.685 20 0 EHADLO CCc1ccc([C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C(C)C)cc1 ZINC000302783409 1027289576 /nfs/dbraw/zinc/28/95/76/1027289576.db2.gz KYFXXZRGDJQWQI-HXUWFJFHSA-N 1 2 340.471 3.685 20 0 EHADLO CCOCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000127490551 1027313651 /nfs/dbraw/zinc/31/36/51/1027313651.db2.gz QYJDDDUIUPTIEI-UHFFFAOYSA-N 1 2 327.428 3.798 20 0 EHADLO CCOc1cc(Cl)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302829793 1027314471 /nfs/dbraw/zinc/31/44/71/1027314471.db2.gz KCBOESWTUYWODK-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO CCOc1cc(Cl)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302829793 1027314490 /nfs/dbraw/zinc/31/44/90/1027314490.db2.gz KCBOESWTUYWODK-UHFFFAOYSA-N 1 2 332.835 3.741 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000273235117 1027327620 /nfs/dbraw/zinc/32/76/20/1027327620.db2.gz XTJIYAKJJGQLGV-GOSISDBHSA-N 1 2 343.496 3.625 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000511191809 1027329701 /nfs/dbraw/zinc/32/97/01/1027329701.db2.gz JGIACUUWYAJNCI-OZOXKJRCSA-N 1 2 349.478 3.812 20 0 EHADLO Brc1ccsc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302880395 1027339044 /nfs/dbraw/zinc/33/90/44/1027339044.db2.gz HLDDDWRMIBTIMA-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Brc1ccsc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302880395 1027339053 /nfs/dbraw/zinc/33/90/53/1027339053.db2.gz HLDDDWRMIBTIMA-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Cc1ccccc1CC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000076881588 1027339842 /nfs/dbraw/zinc/33/98/42/1027339842.db2.gz XUIYOOSAEMLKRK-UHFFFAOYSA-N 1 2 347.462 3.991 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1cccc(Cl)c1 ZINC000302887129 1027344229 /nfs/dbraw/zinc/34/42/29/1027344229.db2.gz LURFHZPOKQVXFU-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1cccc(Cl)c1 ZINC000302887129 1027344246 /nfs/dbraw/zinc/34/42/46/1027344246.db2.gz LURFHZPOKQVXFU-ZDUSSCGKSA-N 1 2 332.835 3.610 20 0 EHADLO CCn1c(C[NH2+][C@H](CCOC)c2ccco2)nc2c1cccc2F ZINC000273265895 1027345900 /nfs/dbraw/zinc/34/59/00/1027345900.db2.gz LMQJNHOGNSHKAX-CQSZACIVSA-N 1 2 331.391 3.656 20 0 EHADLO CCc1ccc(-c2nc(C[NH2+][C@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273285797 1027357315 /nfs/dbraw/zinc/35/73/15/1027357315.db2.gz JZYVZOOBRRJMSD-CYBMUJFWSA-N 1 2 326.469 3.957 20 0 EHADLO CCOC(=O)C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000076943007 1027364357 /nfs/dbraw/zinc/36/43/57/1027364357.db2.gz MYZPXUMGQVKDIE-UHFFFAOYSA-N 1 2 348.443 3.724 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000582234703 1027370819 /nfs/dbraw/zinc/37/08/19/1027370819.db2.gz JHXUCVODWPLWQB-HKUYNNGSSA-N 1 2 341.430 3.973 20 0 EHADLO CCC(CC)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000128025813 1027388268 /nfs/dbraw/zinc/38/82/68/1027388268.db2.gz MRLWQFDGFKHWOI-UHFFFAOYSA-N 1 2 341.455 3.536 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077348217 1027397620 /nfs/dbraw/zinc/39/76/20/1027397620.db2.gz ZGFBHKZGAQEEQP-HNNXBMFYSA-N 1 2 332.492 3.564 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)s1 ZINC000273421013 1027420512 /nfs/dbraw/zinc/42/05/12/1027420512.db2.gz VIZVUGJKXLARJQ-LLVKDONJSA-N 1 2 346.481 3.659 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273521793 1027472868 /nfs/dbraw/zinc/47/28/68/1027472868.db2.gz QCRVGBYOXZSYQY-HOTGVXAUSA-N 1 2 347.434 3.858 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273521793 1027472884 /nfs/dbraw/zinc/47/28/84/1027472884.db2.gz QCRVGBYOXZSYQY-HOTGVXAUSA-N 1 2 347.434 3.858 20 0 EHADLO CC(C)Oc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000501714911 1027472880 /nfs/dbraw/zinc/47/28/80/1027472880.db2.gz FJUMCMDRVJBFKS-UHFFFAOYSA-N 1 2 348.450 3.789 20 0 EHADLO O=C(c1scnc1C1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273619980 1027522506 /nfs/dbraw/zinc/52/25/06/1027522506.db2.gz UUOXVONSNXQSEQ-UHFFFAOYSA-N 1 2 330.457 3.544 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273623620 1027522812 /nfs/dbraw/zinc/52/28/12/1027522812.db2.gz NWADOAMBRYCHLV-CYBMUJFWSA-N 1 2 330.457 3.684 20 0 EHADLO CSCc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000129708583 1027595077 /nfs/dbraw/zinc/59/50/77/1027595077.db2.gz DSHVUCRDXIIPBH-QGZVFWFLSA-N 1 2 343.452 3.630 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(C)cc1)CCC2 ZINC000152457301 1027616084 /nfs/dbraw/zinc/61/60/84/1027616084.db2.gz NHVVRFPEKUKSDG-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C)cc1)CCC2 ZINC000152457301 1027616088 /nfs/dbraw/zinc/61/60/88/1027616088.db2.gz NHVVRFPEKUKSDG-INIZCTEOSA-N 1 2 343.496 3.962 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000628154082 1027648880 /nfs/dbraw/zinc/64/88/80/1027648880.db2.gz MKXYIAKMRRYIKY-UHFFFAOYSA-N 1 2 347.431 3.936 20 0 EHADLO FC(F)(F)c1cc(C[N@H+]2CCCN(c3nccs3)CC2)cs1 ZINC000628154082 1027648881 /nfs/dbraw/zinc/64/88/81/1027648881.db2.gz MKXYIAKMRRYIKY-UHFFFAOYSA-N 1 2 347.431 3.936 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000130247256 1027650053 /nfs/dbraw/zinc/65/00/53/1027650053.db2.gz YSHMEKNISNKLKB-MRXNPFEDSA-N 1 2 328.481 3.586 20 0 EHADLO FC(F)(F)C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000420636668 1027650458 /nfs/dbraw/zinc/65/04/58/1027650458.db2.gz VNHKUFMPGYZFOW-CYBMUJFWSA-N 1 2 328.382 3.636 20 0 EHADLO FC(F)(F)C[C@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000420636668 1027650471 /nfs/dbraw/zinc/65/04/71/1027650471.db2.gz VNHKUFMPGYZFOW-CYBMUJFWSA-N 1 2 328.382 3.636 20 0 EHADLO Cc1ccc(C)n1C1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422215737 1027653586 /nfs/dbraw/zinc/65/35/86/1027653586.db2.gz UNMRBEJOTBSBQT-UHFFFAOYSA-N 1 2 340.471 3.663 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628155565 1027666700 /nfs/dbraw/zinc/66/67/00/1027666700.db2.gz DWJWLMSUVOTEPL-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628155565 1027666706 /nfs/dbraw/zinc/66/67/06/1027666706.db2.gz DWJWLMSUVOTEPL-GFCCVEGCSA-N 1 2 334.407 3.600 20 0 EHADLO CCCOc1cccc2c(NC[C@@H]3CC(=O)N(CCC)C3)cc[nH+]c12 ZINC000420656877 1027674048 /nfs/dbraw/zinc/67/40/48/1027674048.db2.gz VNYNJWBERSZROF-HNNXBMFYSA-N 1 2 341.455 3.694 20 0 EHADLO C[NH2+]Cc1noc(C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000414650523 1027698431 /nfs/dbraw/zinc/69/84/31/1027698431.db2.gz YJGARJVTXGARAX-UHFFFAOYSA-N 1 2 331.725 3.541 20 0 EHADLO c1ccc(N2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000107098429 1027727585 /nfs/dbraw/zinc/72/75/85/1027727585.db2.gz UMTWWBIEPGSODU-UHFFFAOYSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(N2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000107098429 1027727599 /nfs/dbraw/zinc/72/75/99/1027727599.db2.gz UMTWWBIEPGSODU-UHFFFAOYSA-N 1 2 337.471 3.548 20 0 EHADLO Cc1cc(CNC(=O)NCC(C)(C)c2ccc(F)cc2)cc(C)[nH+]1 ZINC000420808507 1027744174 /nfs/dbraw/zinc/74/41/74/1027744174.db2.gz XCHNLEDNIDKZFI-UHFFFAOYSA-N 1 2 329.419 3.615 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503369220 1027745196 /nfs/dbraw/zinc/74/51/96/1027745196.db2.gz OVJMNDNWBUORQO-AUUYWEPGSA-N 1 2 338.842 3.946 20 0 EHADLO CCCOc1cccc(CCNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420808503 1027745107 /nfs/dbraw/zinc/74/51/07/1027745107.db2.gz BNBBLGAURLDHJB-UHFFFAOYSA-N 1 2 341.455 3.529 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCSc3c(F)cccc32)cc(C)[nH+]1 ZINC000420824771 1027758520 /nfs/dbraw/zinc/75/85/20/1027758520.db2.gz QZUYQYNOFXOPHB-MRXNPFEDSA-N 1 2 345.443 3.874 20 0 EHADLO C[C@@H]1C[C@@]1([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503394505 1027765200 /nfs/dbraw/zinc/76/52/00/1027765200.db2.gz SGRBPNYUPIDYQS-KUHUBIRLSA-N 1 2 338.842 3.946 20 0 EHADLO CCCc1ccc([C@@H]([NH2+]Cc2nc(C(=O)OCC)no2)C(C)C)cc1 ZINC000459349674 1027782185 /nfs/dbraw/zinc/78/21/85/1027782185.db2.gz NYXGLBKZRMYIKO-KRWDZBQOSA-N 1 2 345.443 3.686 20 0 EHADLO CCCN(CCc1cccs1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847498 1027791983 /nfs/dbraw/zinc/79/19/83/1027791983.db2.gz KJNFQLWIORHHBD-UHFFFAOYSA-N 1 2 331.485 3.924 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3cc(Cl)ccc3C2)cc(C)[nH+]1 ZINC000420851273 1027794231 /nfs/dbraw/zinc/79/42/31/1027794231.db2.gz QLFMNTKVJOKVLK-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000420854863 1027798065 /nfs/dbraw/zinc/79/80/65/1027798065.db2.gz VJUXDQLHGFVJHW-ZDUSSCGKSA-N 1 2 333.382 3.879 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2c(F)cccc2Cl)cc(C)[nH+]1 ZINC000420853763 1027798546 /nfs/dbraw/zinc/79/85/46/1027798546.db2.gz USSXXMYNWYXKJB-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420856956 1027803011 /nfs/dbraw/zinc/80/30/11/1027803011.db2.gz YVBUWLLXODGHOG-GOSISDBHSA-N 1 2 339.439 3.754 20 0 EHADLO O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131832572 1027825172 /nfs/dbraw/zinc/82/51/72/1027825172.db2.gz WGFBTUFYXPZJSR-KRWDZBQOSA-N 1 2 347.418 3.554 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000454247705 1027835054 /nfs/dbraw/zinc/83/50/54/1027835054.db2.gz UOFCVTOSYNNCEZ-JOCQHMNTSA-N 1 2 346.381 3.905 20 0 EHADLO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000292207012 1027835787 /nfs/dbraw/zinc/83/57/87/1027835787.db2.gz SWEQQIBHJNHNPD-UHFFFAOYSA-N 1 2 333.319 3.667 20 0 EHADLO Brc1cc(C[N@@H+]2CCc3ccccc3C2)cc2c1OCO2 ZINC000513790226 1027837366 /nfs/dbraw/zinc/83/73/66/1027837366.db2.gz ULXPEIUDGUVZBP-UHFFFAOYSA-N 1 2 346.224 3.736 20 0 EHADLO Brc1cc(C[N@H+]2CCc3ccccc3C2)cc2c1OCO2 ZINC000513790226 1027837391 /nfs/dbraw/zinc/83/73/91/1027837391.db2.gz ULXPEIUDGUVZBP-UHFFFAOYSA-N 1 2 346.224 3.736 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc([C@H]4CCc5ccccc5C4)no3)cn2c1 ZINC000866932201 1027855381 /nfs/dbraw/zinc/85/53/81/1027855381.db2.gz KRRLASLDDKHLTI-HNNXBMFYSA-N 1 2 348.381 3.720 20 0 EHADLO FC(F)Oc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000110391942 1027867055 /nfs/dbraw/zinc/86/70/55/1027867055.db2.gz XQUOXNMMBLNARR-UHFFFAOYSA-N 1 2 334.370 3.680 20 0 EHADLO FC(F)Oc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000110391942 1027867078 /nfs/dbraw/zinc/86/70/78/1027867078.db2.gz XQUOXNMMBLNARR-UHFFFAOYSA-N 1 2 334.370 3.680 20 0 EHADLO Cc1cc(NC(=O)NCc2csc(-c3ccccc3)n2)c(C)c[nH+]1 ZINC000536619125 1027911347 /nfs/dbraw/zinc/91/13/47/1027911347.db2.gz ATAPDGYDUOLTJP-UHFFFAOYSA-N 1 2 338.436 3.566 20 0 EHADLO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1c[nH+]ccc1N ZINC000422744946 1027911310 /nfs/dbraw/zinc/91/13/10/1027911310.db2.gz WVTPSVTXHHEODF-DYESRHJHSA-N 1 2 338.499 3.618 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956702 1027926729 /nfs/dbraw/zinc/92/67/29/1027926729.db2.gz YWJTXPFCACVTNU-GHMZBOCLSA-N 1 2 349.784 3.726 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956702 1027926738 /nfs/dbraw/zinc/92/67/38/1027926738.db2.gz YWJTXPFCACVTNU-GHMZBOCLSA-N 1 2 349.784 3.726 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nc21 ZINC000614806096 1027938744 /nfs/dbraw/zinc/93/87/44/1027938744.db2.gz JWQDGENVTZLYNR-NXEZZACHSA-N 1 2 346.843 3.734 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132618954 1027947889 /nfs/dbraw/zinc/94/78/89/1027947889.db2.gz KAGQKUNQJKYSPA-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000420969783 1027952557 /nfs/dbraw/zinc/95/25/57/1027952557.db2.gz YQCLFAQYNRDXGX-UHFFFAOYSA-N 1 2 343.862 3.569 20 0 EHADLO Cc1cccc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000114184581 1027969186 /nfs/dbraw/zinc/96/91/86/1027969186.db2.gz KMMQHWCSQHZFJE-CALCHBBNSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1cccc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000114184581 1027969205 /nfs/dbraw/zinc/96/92/05/1027969205.db2.gz KMMQHWCSQHZFJE-CALCHBBNSA-N 1 2 325.456 3.611 20 0 EHADLO Cn1c(C[NH2+][C@@H](CC(F)F)c2ccccc2)nnc1-c1ccccc1 ZINC000420997441 1027973777 /nfs/dbraw/zinc/97/37/77/1027973777.db2.gz RWESJBIMKNXMKM-INIZCTEOSA-N 1 2 342.393 3.968 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1C(F)(F)F ZINC000533487395 1027976448 /nfs/dbraw/zinc/97/64/48/1027976448.db2.gz NJONQOKGEIGMBI-HNNXBMFYSA-N 1 2 337.345 3.809 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1C(F)(F)F ZINC000533487395 1027976464 /nfs/dbraw/zinc/97/64/64/1027976464.db2.gz NJONQOKGEIGMBI-HNNXBMFYSA-N 1 2 337.345 3.809 20 0 EHADLO CCC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C(C)(C)C ZINC000455304985 1027985989 /nfs/dbraw/zinc/98/59/89/1027985989.db2.gz OZRWUXNNSAYVJX-WMZOPIPTSA-N 1 2 346.519 3.685 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000421037200 1028001721 /nfs/dbraw/zinc/00/17/21/1028001721.db2.gz JYIMECWKNNPYQC-MRXNPFEDSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000421037200 1028001732 /nfs/dbraw/zinc/00/17/32/1028001732.db2.gz JYIMECWKNNPYQC-MRXNPFEDSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000421037200 1028001714 /nfs/dbraw/zinc/00/17/14/1028001714.db2.gz JYIMECWKNNPYQC-MRXNPFEDSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1cccc(C[C@H]2CCCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000421037200 1028001747 /nfs/dbraw/zinc/00/17/47/1028001747.db2.gz JYIMECWKNNPYQC-MRXNPFEDSA-N 1 2 334.261 3.769 20 0 EHADLO CCCCOc1cc(C[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000657673755 1028018314 /nfs/dbraw/zinc/01/83/14/1028018314.db2.gz VLQAMCGOHPBPOI-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1nccs1 ZINC000414496293 1028047110 /nfs/dbraw/zinc/04/71/10/1028047110.db2.gz PWNWNXOAIHHYEZ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c(-c2ccccc2)n1 ZINC000342908783 1028058274 /nfs/dbraw/zinc/05/82/74/1028058274.db2.gz JARSGVBNXUGZBV-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO Cn1cc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c(-c2ccccc2)n1 ZINC000342908783 1028058293 /nfs/dbraw/zinc/05/82/93/1028058293.db2.gz JARSGVBNXUGZBV-UHFFFAOYSA-N 1 2 339.389 3.924 20 0 EHADLO CCCCc1nc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cs1 ZINC000120534482 1028063711 /nfs/dbraw/zinc/06/37/11/1028063711.db2.gz NRZJHQJYAAAAJE-MRXNPFEDSA-N 1 2 344.528 3.760 20 0 EHADLO COc1cc(C[NH2+][C@H](C)c2cnccc2N)ccc1OC1CCCC1 ZINC000422942359 1028070263 /nfs/dbraw/zinc/07/02/63/1028070263.db2.gz PLOWGAVEDDMUFG-CQSZACIVSA-N 1 2 341.455 3.675 20 0 EHADLO FC(F)(F)c1cccc(CC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000628173377 1028076824 /nfs/dbraw/zinc/07/68/24/1028076824.db2.gz TZGIYDYAXKOLDG-OAHLLOKOSA-N 1 2 325.330 3.914 20 0 EHADLO FC(F)(F)c1cccc(CC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000628173377 1028076842 /nfs/dbraw/zinc/07/68/42/1028076842.db2.gz TZGIYDYAXKOLDG-OAHLLOKOSA-N 1 2 325.330 3.914 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(Cl)cc1 ZINC000031089575 1028093979 /nfs/dbraw/zinc/09/39/79/1028093979.db2.gz YQWFIWUROMIDLG-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO COc1cccc(C2=CC[N@H+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000444627400 1028099878 /nfs/dbraw/zinc/09/98/78/1028099878.db2.gz QNSUQFCZUQEPIX-UHFFFAOYSA-N 1 2 346.434 3.565 20 0 EHADLO COc1cccc(C2=CC[N@@H+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000444627400 1028099892 /nfs/dbraw/zinc/09/98/92/1028099892.db2.gz QNSUQFCZUQEPIX-UHFFFAOYSA-N 1 2 346.434 3.565 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000548778690 1028102021 /nfs/dbraw/zinc/10/20/21/1028102021.db2.gz KSBLYYSBTTUPDB-UHFFFAOYSA-N 1 2 349.438 3.607 20 0 EHADLO CCCCc1oc2ccccc2c1C[NH2+]Cc1nc(C(N)=O)cs1 ZINC000657687735 1028105704 /nfs/dbraw/zinc/10/57/04/1028105704.db2.gz VZUSWTIQOBDVTI-UHFFFAOYSA-N 1 2 343.452 3.621 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccsc2)cc1)C1CC1 ZINC000444653687 1028117224 /nfs/dbraw/zinc/11/72/24/1028117224.db2.gz WTEWESWOHYLQLM-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccsc2)cc1)C1CC1 ZINC000444653687 1028117230 /nfs/dbraw/zinc/11/72/30/1028117230.db2.gz WTEWESWOHYLQLM-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)o1 ZINC000444690049 1028162654 /nfs/dbraw/zinc/16/26/54/1028162654.db2.gz IHXJSNVFVCGFLI-ZDUSSCGKSA-N 1 2 339.361 3.743 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)o1 ZINC000444690049 1028162665 /nfs/dbraw/zinc/16/26/65/1028162665.db2.gz IHXJSNVFVCGFLI-ZDUSSCGKSA-N 1 2 339.361 3.743 20 0 EHADLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccc(Br)cn1 ZINC000444701878 1028176472 /nfs/dbraw/zinc/17/64/72/1028176472.db2.gz XCEFHURBUFFAMQ-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccc(Br)cn1 ZINC000444701878 1028176480 /nfs/dbraw/zinc/17/64/80/1028176480.db2.gz XCEFHURBUFFAMQ-UHFFFAOYSA-N 1 2 327.172 3.754 20 0 EHADLO O=c1[nH]ccc2c1C[N@H+](Cc1nc(C3CCCCC3)cs1)CC2 ZINC000444707481 1028185146 /nfs/dbraw/zinc/18/51/46/1028185146.db2.gz YAFXZOBCADRRPG-UHFFFAOYSA-N 1 2 329.469 3.850 20 0 EHADLO O=c1[nH]ccc2c1C[N@@H+](Cc1nc(C3CCCCC3)cs1)CC2 ZINC000444707481 1028185154 /nfs/dbraw/zinc/18/51/54/1028185154.db2.gz YAFXZOBCADRRPG-UHFFFAOYSA-N 1 2 329.469 3.850 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708916 1028186037 /nfs/dbraw/zinc/18/60/37/1028186037.db2.gz SAEPJCWJAFUMPO-ZDUSSCGKSA-N 1 2 348.393 3.741 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708916 1028186044 /nfs/dbraw/zinc/18/60/44/1028186044.db2.gz SAEPJCWJAFUMPO-ZDUSSCGKSA-N 1 2 348.393 3.741 20 0 EHADLO CCCc1csc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000503903761 1028195495 /nfs/dbraw/zinc/19/54/95/1028195495.db2.gz XPXIYZHATIGZIW-CQSZACIVSA-N 1 2 337.876 3.990 20 0 EHADLO COc1ccc(CCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455474921 1028207913 /nfs/dbraw/zinc/20/79/13/1028207913.db2.gz KIQIOYWQSDSFKI-UHFFFAOYSA-N 1 2 327.428 3.770 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444721754 1028215439 /nfs/dbraw/zinc/21/54/39/1028215439.db2.gz GBPXFRYBTYMGJP-RISCZKNCSA-N 1 2 336.423 3.621 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000444721754 1028215449 /nfs/dbraw/zinc/21/54/49/1028215449.db2.gz GBPXFRYBTYMGJP-RISCZKNCSA-N 1 2 336.423 3.621 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1(C(F)F)CC1 ZINC000503909561 1028221132 /nfs/dbraw/zinc/22/11/32/1028221132.db2.gz JPIJXQNXFQGHCK-SECBINFHSA-N 1 2 347.203 3.554 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444727077 1028220955 /nfs/dbraw/zinc/22/09/55/1028220955.db2.gz PJOLBMATFCYWDZ-WMLDXEAASA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444727077 1028220967 /nfs/dbraw/zinc/22/09/67/1028220967.db2.gz PJOLBMATFCYWDZ-WMLDXEAASA-N 1 2 339.863 3.835 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423137663 1028223044 /nfs/dbraw/zinc/22/30/44/1028223044.db2.gz WRYPIOMUZCYNOX-HNNXBMFYSA-N 1 2 337.876 3.625 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136222624 1028242317 /nfs/dbraw/zinc/24/23/17/1028242317.db2.gz NBPBUQMKWLHKAB-DLBZAZTESA-N 1 2 334.508 3.599 20 0 EHADLO Cc1c([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)nnn1-c1ccc(F)cc1 ZINC000423213607 1028255016 /nfs/dbraw/zinc/25/50/16/1028255016.db2.gz KBWGWKMSRLSZLT-LBPRGKRZSA-N 1 2 337.402 3.856 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)nn1C ZINC000421319729 1028261152 /nfs/dbraw/zinc/26/11/52/1028261152.db2.gz NVUQDIQTXRAXMH-KRWDZBQOSA-N 1 2 332.879 3.785 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)nn1C ZINC000421319729 1028261171 /nfs/dbraw/zinc/26/11/71/1028261171.db2.gz NVUQDIQTXRAXMH-KRWDZBQOSA-N 1 2 332.879 3.785 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421328336 1028271105 /nfs/dbraw/zinc/27/11/05/1028271105.db2.gz LXJAIGRNDXDVGP-MRXNPFEDSA-N 1 2 325.456 3.886 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421328336 1028271124 /nfs/dbraw/zinc/27/11/24/1028271124.db2.gz LXJAIGRNDXDVGP-MRXNPFEDSA-N 1 2 325.456 3.886 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)c3ccc(F)cc3)ccc2[nH+]1 ZINC000523424831 1028294343 /nfs/dbraw/zinc/29/43/43/1028294343.db2.gz QVBDETSLHSIBTH-GFCCVEGCSA-N 1 2 326.375 3.707 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4ccccc4C)C3)ccc2[nH+]1 ZINC000523425096 1028295410 /nfs/dbraw/zinc/29/54/10/1028295410.db2.gz CBXKZPYRFBKOIN-INIZCTEOSA-N 1 2 334.423 3.973 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)c(C)[nH+]1 ZINC000455524906 1028297419 /nfs/dbraw/zinc/29/74/19/1028297419.db2.gz OZDCPYMCSPQRRF-CQSZACIVSA-N 1 2 347.365 3.930 20 0 EHADLO COCCN(C[C@@H]1CC=CCC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455530933 1028303978 /nfs/dbraw/zinc/30/39/78/1028303978.db2.gz RQSZUDJPMCIGMD-QGZVFWFLSA-N 1 2 331.460 3.843 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455534806 1028309885 /nfs/dbraw/zinc/30/98/85/1028309885.db2.gz ARFBDYZRHIMVTI-LJQANCHMSA-N 1 2 325.456 3.861 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455534533 1028311608 /nfs/dbraw/zinc/31/16/08/1028311608.db2.gz GYBGWSKBFDMYOM-NVXWUHKLSA-N 1 2 332.492 3.905 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1Cl ZINC000056516409 1028328655 /nfs/dbraw/zinc/32/86/55/1028328655.db2.gz CTTDABUSNLHFTM-UHFFFAOYSA-N 1 2 326.787 3.847 20 0 EHADLO CSc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056593621 1028332161 /nfs/dbraw/zinc/33/21/61/1028332161.db2.gz INNXKIJOQLNMHG-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000523438310 1028332439 /nfs/dbraw/zinc/33/24/39/1028332439.db2.gz XRMMFKCIKWUXFI-MRXNPFEDSA-N 1 2 345.483 3.928 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523445729 1028342223 /nfs/dbraw/zinc/34/22/23/1028342223.db2.gz XENPTTYOHDNCNF-INIZCTEOSA-N 1 2 340.442 3.794 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523445729 1028342239 /nfs/dbraw/zinc/34/22/39/1028342239.db2.gz XENPTTYOHDNCNF-INIZCTEOSA-N 1 2 340.442 3.794 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000566416842 1028343004 /nfs/dbraw/zinc/34/30/04/1028343004.db2.gz KNKZBKGISKVTAD-KSSFIOAISA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000566416842 1028343021 /nfs/dbraw/zinc/34/30/21/1028343021.db2.gz KNKZBKGISKVTAD-KSSFIOAISA-N 1 2 339.863 3.509 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(Br)c(C)c2)nn1C ZINC000421388390 1028361186 /nfs/dbraw/zinc/36/11/86/1028361186.db2.gz VLMUWASNJWBJTC-UHFFFAOYSA-N 1 2 342.668 3.743 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1F ZINC000138498036 1028367738 /nfs/dbraw/zinc/36/77/38/1028367738.db2.gz VBDKSDGOSQEYHL-ZDUSSCGKSA-N 1 2 341.361 3.570 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000454283959 1028368211 /nfs/dbraw/zinc/36/82/11/1028368211.db2.gz XQOKOJBUERVWFW-HNNXBMFYSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1ccc(C)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067555912 1028370233 /nfs/dbraw/zinc/37/02/33/1028370233.db2.gz LJFVSLYYVANDQR-UHFFFAOYSA-N 1 2 338.386 3.950 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2nc(-c3ccccc3)ns2)c1C ZINC000504060033 1028372594 /nfs/dbraw/zinc/37/25/94/1028372594.db2.gz ZQCXTIFNCMMJLD-UHFFFAOYSA-N 1 2 340.452 3.862 20 0 EHADLO C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000523536930 1028405151 /nfs/dbraw/zinc/40/51/51/1028405151.db2.gz UURYAIUFUFIAQH-ISARSNTHSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@H](c1ccco1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000069103309 1028416582 /nfs/dbraw/zinc/41/65/82/1028416582.db2.gz VDELYKYGOQXIJP-OAHLLOKOSA-N 1 2 342.443 3.568 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000061784449 1028436786 /nfs/dbraw/zinc/43/67/86/1028436786.db2.gz ODKNVUNCCJQMKN-MRXNPFEDSA-N 1 2 329.875 3.656 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccco2)Cc2ccco2)c[nH+]1 ZINC000455555127 1028440210 /nfs/dbraw/zinc/44/02/10/1028440210.db2.gz JGGQAUISZDPHOU-UHFFFAOYSA-N 1 2 339.395 3.796 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(F)cc1C(F)(F)F)C2 ZINC000897334138 1028462781 /nfs/dbraw/zinc/46/27/81/1028462781.db2.gz KQISBAFJIZKFDS-UHFFFAOYSA-N 1 2 327.325 3.619 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000455562119 1028477535 /nfs/dbraw/zinc/47/75/35/1028477535.db2.gz RHHBWJUSFPSOTF-UKRRQHHQSA-N 1 2 343.393 3.866 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000071898984 1028489721 /nfs/dbraw/zinc/48/97/21/1028489721.db2.gz DEKFFFSSVYNTRZ-MRXNPFEDSA-N 1 2 346.434 3.592 20 0 EHADLO Cc1c(Cl)cc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000072041293 1028497122 /nfs/dbraw/zinc/49/71/22/1028497122.db2.gz YLXQGSGOXOTSLF-UHFFFAOYSA-N 1 2 327.215 3.710 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000421514052 1028497619 /nfs/dbraw/zinc/49/76/19/1028497619.db2.gz KTLYIRUEIRAJOD-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO CCOc1ccc(CC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000072303268 1028501627 /nfs/dbraw/zinc/50/16/27/1028501627.db2.gz QAADBRTVYUTZFO-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)NCCCCn1cc[nH+]c1 ZINC000523662813 1028523057 /nfs/dbraw/zinc/52/30/57/1028523057.db2.gz OKDIDBXRWGSWRO-UHFFFAOYSA-N 1 2 337.876 3.615 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cc[nH]n2)c1)c1ccccc1Cl ZINC000523685768 1028541567 /nfs/dbraw/zinc/54/15/67/1028541567.db2.gz PYLXJYYTMMXQEA-UHFFFAOYSA-N 1 2 340.814 3.605 20 0 EHADLO Cc1cc(CNC(=O)COc2cc(Cl)ccc2Cl)cc(C)[nH+]1 ZINC000421556680 1028555945 /nfs/dbraw/zinc/55/59/45/1028555945.db2.gz KABJLPVGQMZCPQ-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO c1coc([C@H](CNCc2coc(-c3ccccc3)n2)[NH+]2CCCC2)c1 ZINC000236664851 1028559858 /nfs/dbraw/zinc/55/98/58/1028559858.db2.gz AVVBONKBHZDTQM-SFHVURJKSA-N 1 2 337.423 3.861 20 0 EHADLO Cc1cc(CNC(=O)Cc2cc(Br)ccc2C)cc(C)[nH+]1 ZINC000421577387 1028571670 /nfs/dbraw/zinc/57/16/70/1028571670.db2.gz FMJNLJPCNBTMMX-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1ccccc1Cl ZINC000195073832 1028576275 /nfs/dbraw/zinc/57/62/75/1028576275.db2.gz RXDPPSBZAYRDIP-DYVFJYSZSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cc(CNC(=O)CCCOc2ccc3c(c2)CCC3)cc(C)[nH+]1 ZINC000421581269 1028578198 /nfs/dbraw/zinc/57/81/98/1028578198.db2.gz XYQHFLZWFDCPLX-UHFFFAOYSA-N 1 2 338.451 3.663 20 0 EHADLO c1cn(Cc2ccc(-c3nc(COc4ccccc4)no3)cc2)c[nH+]1 ZINC000074119830 1028597481 /nfs/dbraw/zinc/59/74/81/1028597481.db2.gz IRJMKLYTDDFSKY-UHFFFAOYSA-N 1 2 332.363 3.560 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000459389525 1028608598 /nfs/dbraw/zinc/60/85/98/1028608598.db2.gz QVLFPERTWITBQA-JXFKEZNVSA-N 1 2 343.471 3.700 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(C(=O)OC)s1)c1ccc(Cl)s1 ZINC000894261178 1028610602 /nfs/dbraw/zinc/61/06/02/1028610602.db2.gz UFQAZMRVGYBUBC-QMMMGPOBSA-N 1 2 330.862 3.886 20 0 EHADLO [NH3+][C@H](C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1c(F)cccc1F ZINC000423785097 1028612218 /nfs/dbraw/zinc/61/22/18/1028612218.db2.gz SMPBNVRMGICUSJ-YEWDVWPNSA-N 1 2 348.368 3.556 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Br)o1 ZINC000074893046 1028636948 /nfs/dbraw/zinc/63/69/48/1028636948.db2.gz QFNYQIZXCXTJCC-UHFFFAOYSA-N 1 2 332.157 3.685 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)NCCCn1cc[nH+]c1 ZINC000445253231 1028641886 /nfs/dbraw/zinc/64/18/86/1028641886.db2.gz XOIRBVFYAYKOCI-UHFFFAOYSA-N 1 2 327.453 3.843 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428568301 1028690755 /nfs/dbraw/zinc/69/07/55/1028690755.db2.gz CVXGJIZMJODSMB-HZPDHXFCSA-N 1 2 332.492 3.577 20 0 EHADLO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000245425848 1028707409 /nfs/dbraw/zinc/70/74/09/1028707409.db2.gz UHYUNHFCDXVNNH-XPGWFJOJSA-N 1 2 333.435 3.592 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000429737300 1028713822 /nfs/dbraw/zinc/71/38/22/1028713822.db2.gz LABBIWVPLUIFKB-JTDSTZFVSA-N 1 2 345.487 3.732 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000245464231 1028718317 /nfs/dbraw/zinc/71/83/17/1028718317.db2.gz HTLDQJJURHERQF-PBHICJAKSA-N 1 2 345.443 3.903 20 0 EHADLO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000245464231 1028718335 /nfs/dbraw/zinc/71/83/35/1028718335.db2.gz HTLDQJJURHERQF-PBHICJAKSA-N 1 2 345.443 3.903 20 0 EHADLO C[C@H]1CCN(C(=O)CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000122777340 1028736820 /nfs/dbraw/zinc/73/68/20/1028736820.db2.gz SEIMYCHDGZTLMR-GOEBONIOSA-N 1 2 347.459 3.614 20 0 EHADLO CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)[nH]c2c1 ZINC000728541748 1028748724 /nfs/dbraw/zinc/74/87/24/1028748724.db2.gz JTWPNRIHXLTPJL-QGZVFWFLSA-N 1 2 336.439 3.965 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1Br ZINC000414550161 1028755862 /nfs/dbraw/zinc/75/58/62/1028755862.db2.gz CIFFZPCGVJUKGA-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO c1cn(CCc2nc(-c3cccc(Oc4ccccc4)c3)no2)c[nH+]1 ZINC000504591792 1028768571 /nfs/dbraw/zinc/76/85/71/1028768571.db2.gz JULIKAJWLUEENC-UHFFFAOYSA-N 1 2 332.363 3.968 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(OC2CCCCC2)cc1 ZINC000524011551 1028779107 /nfs/dbraw/zinc/77/91/07/1028779107.db2.gz IBWZQOSDAYQOSQ-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H](C)c1ccccc1 ZINC000247620334 1028788018 /nfs/dbraw/zinc/78/80/18/1028788018.db2.gz NDQBWVNCTFMXPL-MTNOOBJLSA-N 1 2 340.471 3.668 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@H](C)c1cccnc1)[C@@H](C)c1ccc(F)cc1 ZINC000245542386 1028789668 /nfs/dbraw/zinc/78/96/68/1028789668.db2.gz RJBYPMOKNLVNIE-CVEARBPZSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@H](C)c1cccnc1)[C@@H](C)c1ccc(F)cc1 ZINC000245542386 1028789678 /nfs/dbraw/zinc/78/96/78/1028789678.db2.gz RJBYPMOKNLVNIE-CVEARBPZSA-N 1 2 343.446 3.823 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2c(F)cccc2F)CCC1 ZINC000421791130 1028799630 /nfs/dbraw/zinc/79/96/30/1028799630.db2.gz ZGECKPXBMQRDPH-UHFFFAOYSA-N 1 2 345.393 3.516 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2c(F)cccc2F)CCC1 ZINC000421791130 1028799644 /nfs/dbraw/zinc/79/96/44/1028799644.db2.gz ZGECKPXBMQRDPH-UHFFFAOYSA-N 1 2 345.393 3.516 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)csc2C1 ZINC000247690919 1028811384 /nfs/dbraw/zinc/81/13/84/1028811384.db2.gz SPSLCXAYJJMRKU-CPUCHLNUSA-N 1 2 343.496 3.793 20 0 EHADLO CCc1cc2c(ncnc2NC[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000532781591 1028828570 /nfs/dbraw/zinc/82/85/70/1028828570.db2.gz STOMKYXDYMDZII-GFCCVEGCSA-N 1 2 327.457 3.748 20 0 EHADLO Cc1cccc(OCCCc2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c1C ZINC000923879042 1028830986 /nfs/dbraw/zinc/83/09/86/1028830986.db2.gz AURFIJKAHKCBHI-HUUCEWRRSA-N 1 2 338.411 3.692 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000424158966 1028860158 /nfs/dbraw/zinc/86/01/58/1028860158.db2.gz UUQNDGVNXSUIEM-MRXNPFEDSA-N 1 2 333.407 3.773 20 0 EHADLO Cc1cccc([C@H](C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000153884704 1028868549 /nfs/dbraw/zinc/86/85/49/1028868549.db2.gz ICRWKNCVOVCTTR-YQVWRLOYSA-N 1 2 340.471 3.588 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCCC[C@@H]1c1ccccc1 ZINC000079565964 1028875327 /nfs/dbraw/zinc/87/53/27/1028875327.db2.gz GBTXZNOSDGJOFA-GOSISDBHSA-N 1 2 326.444 3.600 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@H]1c1cccc(F)c1 ZINC000248392617 1028880039 /nfs/dbraw/zinc/88/00/39/1028880039.db2.gz WGMILDWVKFESRZ-SCLBCKFNSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@H]1c1cccc(F)c1 ZINC000248392617 1028880062 /nfs/dbraw/zinc/88/00/62/1028880062.db2.gz WGMILDWVKFESRZ-SCLBCKFNSA-N 1 2 328.435 3.805 20 0 EHADLO Cn1ncnc1C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000153898985 1028885205 /nfs/dbraw/zinc/88/52/05/1028885205.db2.gz KFNUCZOKLZIDMN-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)s1 ZINC000424201517 1028885580 /nfs/dbraw/zinc/88/55/80/1028885580.db2.gz OPAGWHSWXOUEBE-QMMMGPOBSA-N 1 2 328.796 3.573 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2CCCCCC2)s1 ZINC000525638179 1028897601 /nfs/dbraw/zinc/89/76/01/1028897601.db2.gz WKRFRFDRSMPSKY-CQSZACIVSA-N 1 2 337.533 3.846 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2CCCCCC2)s1 ZINC000525638179 1028897621 /nfs/dbraw/zinc/89/76/21/1028897621.db2.gz WKRFRFDRSMPSKY-CQSZACIVSA-N 1 2 337.533 3.846 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)[C@@H]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000524128388 1028899507 /nfs/dbraw/zinc/89/95/07/1028899507.db2.gz PABRXFJXOVMXBN-GOSISDBHSA-N 1 2 334.423 3.664 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000248781004 1028948425 /nfs/dbraw/zinc/94/84/25/1028948425.db2.gz WWCAXPWUMJDZFL-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532847408 1028950993 /nfs/dbraw/zinc/95/09/93/1028950993.db2.gz NSKSGANLAUNJTC-HOTGVXAUSA-N 1 2 341.858 3.712 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532847408 1028951004 /nfs/dbraw/zinc/95/10/04/1028951004.db2.gz NSKSGANLAUNJTC-HOTGVXAUSA-N 1 2 341.858 3.712 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3c3ccncc3)nn2)cc1 ZINC000154025200 1028979612 /nfs/dbraw/zinc/97/96/12/1028979612.db2.gz CJZCUDBPWMFDPX-SFHVURJKSA-N 1 2 339.830 3.653 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]3c3ccncc3)nn2)cc1 ZINC000154025200 1028979620 /nfs/dbraw/zinc/97/96/20/1028979620.db2.gz CJZCUDBPWMFDPX-SFHVURJKSA-N 1 2 339.830 3.653 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459383960 1028984028 /nfs/dbraw/zinc/98/40/28/1028984028.db2.gz HKLWXLBHXMQQST-BPAFIMBUSA-N 1 2 345.487 3.636 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)NCCc1ccccc1 ZINC000532872978 1028985069 /nfs/dbraw/zinc/98/50/69/1028985069.db2.gz NHJSZPGUCKGNNV-ZIAGYGMSSA-N 1 2 348.849 3.877 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NCCc1ccccc1 ZINC000532872977 1028985346 /nfs/dbraw/zinc/98/53/46/1028985346.db2.gz NHJSZPGUCKGNNV-UONOGXRCSA-N 1 2 348.849 3.877 20 0 EHADLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000052130388 1028991025 /nfs/dbraw/zinc/99/10/25/1028991025.db2.gz NPQYHYNMTLZCIE-UHFFFAOYSA-N 1 2 346.352 3.757 20 0 EHADLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000052130388 1028991040 /nfs/dbraw/zinc/99/10/40/1028991040.db2.gz NPQYHYNMTLZCIE-UHFFFAOYSA-N 1 2 346.352 3.757 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)c[nH+]1 ZINC000454529188 1029002853 /nfs/dbraw/zinc/00/28/53/1029002853.db2.gz WFWZNSBOBJWLKG-MRXNPFEDSA-N 1 2 345.830 3.675 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)cc1O ZINC000503041600 1029006835 /nfs/dbraw/zinc/00/68/35/1029006835.db2.gz MENLMHWJIRIGRT-IBGZPJMESA-N 1 2 333.378 3.919 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)cc1O ZINC000503041600 1029006846 /nfs/dbraw/zinc/00/68/46/1029006846.db2.gz MENLMHWJIRIGRT-IBGZPJMESA-N 1 2 333.378 3.919 20 0 EHADLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(F)c1 ZINC000393316699 1029052565 /nfs/dbraw/zinc/05/25/65/1029052565.db2.gz SXXWHMDGTJUSIK-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666784293 1029068197 /nfs/dbraw/zinc/06/81/97/1029068197.db2.gz OUXBSAJGYWXGKV-CHWSQXEVSA-N 1 2 333.819 3.605 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H](C)CC(C)C)CC2)cc1 ZINC000524313864 1029077266 /nfs/dbraw/zinc/07/72/66/1029077266.db2.gz RKWDSHBAPLFUQI-GOSISDBHSA-N 1 2 346.515 3.802 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1ccc(Cl)cn1 ZINC000532976759 1029130570 /nfs/dbraw/zinc/13/05/70/1029130570.db2.gz FOFOYARMBOPTNN-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cc2ccccc2o1 ZINC000347380272 1029159897 /nfs/dbraw/zinc/15/98/97/1029159897.db2.gz QDPUWSKZEFYNQP-ZDUSSCGKSA-N 1 2 332.363 3.505 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271804012 1029179430 /nfs/dbraw/zinc/17/94/30/1029179430.db2.gz LIDBSSZKORYTEG-WMZOPIPTSA-N 1 2 325.456 3.775 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000343449625 1029204094 /nfs/dbraw/zinc/20/40/94/1029204094.db2.gz LWHFSJHRTNTGGW-UHFFFAOYSA-N 1 2 346.587 3.536 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000343449625 1029204107 /nfs/dbraw/zinc/20/41/07/1029204107.db2.gz LWHFSJHRTNTGGW-UHFFFAOYSA-N 1 2 346.587 3.536 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c[nH+]1 ZINC000455579292 1029205406 /nfs/dbraw/zinc/20/54/06/1029205406.db2.gz VWZAPKUGLSZXPK-CQSZACIVSA-N 1 2 343.393 3.818 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)cc[nH+]1 ZINC000524477090 1029226667 /nfs/dbraw/zinc/22/66/67/1029226667.db2.gz XCNOHEYEPIUIRD-KRWDZBQOSA-N 1 2 346.430 3.809 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000271945805 1029240750 /nfs/dbraw/zinc/24/07/50/1029240750.db2.gz XQAGVUDASZGOTI-CYBMUJFWSA-N 1 2 345.393 3.516 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000583207922 1029245273 /nfs/dbraw/zinc/24/52/73/1029245273.db2.gz PENKZNFMNYXQHB-KGLIPLIRSA-N 1 2 349.837 3.860 20 0 EHADLO CC[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000124707996 1029309054 /nfs/dbraw/zinc/30/90/54/1029309054.db2.gz BIHQMGIFFZVHMQ-QGZVFWFLSA-N 1 2 329.419 3.723 20 0 EHADLO Cc1nc(Cl)cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000078412849 1029311407 /nfs/dbraw/zinc/31/14/07/1029311407.db2.gz JLTOGLJVYKLZGX-UHFFFAOYSA-N 1 2 345.878 3.585 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1Cl ZINC000505169846 1029317213 /nfs/dbraw/zinc/31/72/13/1029317213.db2.gz VJIQFNGSYXBCIF-IIAWOOMASA-N 1 2 343.858 3.685 20 0 EHADLO CC(=O)CCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278145124 1029321862 /nfs/dbraw/zinc/32/18/62/1029321862.db2.gz NWCRTBSLAYGCCT-UHFFFAOYSA-N 1 2 325.412 3.584 20 0 EHADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000459385382 1029342487 /nfs/dbraw/zinc/34/24/87/1029342487.db2.gz HFFQJKMZGPVRAO-INIZCTEOSA-N 1 2 343.427 3.707 20 0 EHADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000459385382 1029342502 /nfs/dbraw/zinc/34/25/02/1029342502.db2.gz HFFQJKMZGPVRAO-INIZCTEOSA-N 1 2 343.427 3.707 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458444931 1029383509 /nfs/dbraw/zinc/38/35/09/1029383509.db2.gz PQGKIJJCQCRLPW-KRWDZBQOSA-N 1 2 348.878 3.703 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272362270 1029431510 /nfs/dbraw/zinc/43/15/10/1029431510.db2.gz SGTCYXRZADBZFJ-OAHLLOKOSA-N 1 2 326.444 3.556 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)o2)s1 ZINC000162804969 1029471150 /nfs/dbraw/zinc/47/11/50/1029471150.db2.gz FGZCWHHROWRMDC-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)o2)s1 ZINC000162804969 1029471158 /nfs/dbraw/zinc/47/11/58/1029471158.db2.gz FGZCWHHROWRMDC-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000272503091 1029486386 /nfs/dbraw/zinc/48/63/86/1029486386.db2.gz VVUWTQMYRSJSSL-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO Cc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000272503091 1029486392 /nfs/dbraw/zinc/48/63/92/1029486392.db2.gz VVUWTQMYRSJSSL-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO CSCc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454977146 1029502038 /nfs/dbraw/zinc/50/20/38/1029502038.db2.gz ZJMRWKJPUSNZQZ-UHFFFAOYSA-N 1 2 329.469 3.561 20 0 EHADLO Clc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272650902 1029551162 /nfs/dbraw/zinc/55/11/62/1029551162.db2.gz MYFHMJREJJRRLF-AWEZNQCLSA-N 1 2 345.786 3.557 20 0 EHADLO Clc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272650902 1029551170 /nfs/dbraw/zinc/55/11/70/1029551170.db2.gz MYFHMJREJJRRLF-AWEZNQCLSA-N 1 2 345.786 3.557 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000125785700 1029605840 /nfs/dbraw/zinc/60/58/40/1029605840.db2.gz MTINGJMPVFPHCQ-RHSMWYFYSA-N 1 2 329.469 3.637 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000154284006 1029614174 /nfs/dbraw/zinc/61/41/74/1029614174.db2.gz DHVWTPBEKHKMCN-CYBMUJFWSA-N 1 2 342.468 3.993 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000154284006 1029614177 /nfs/dbraw/zinc/61/41/77/1029614177.db2.gz DHVWTPBEKHKMCN-CYBMUJFWSA-N 1 2 342.468 3.993 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1OC ZINC000125865528 1029625093 /nfs/dbraw/zinc/62/50/93/1029625093.db2.gz UNZNBNUNWPOFIM-LJQANCHMSA-N 1 2 337.423 3.696 20 0 EHADLO Clc1ccc(Cl)c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000525119803 1029692114 /nfs/dbraw/zinc/69/21/14/1029692114.db2.gz PEVQHQIUCREXHW-UHFFFAOYSA-N 1 2 325.239 3.904 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000431529080 1029711697 /nfs/dbraw/zinc/71/16/97/1029711697.db2.gz ORABXZIJLPDYEE-UHFFFAOYSA-N 1 2 343.789 3.905 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@@H](OC)CC1 ZINC000611931468 1029711930 /nfs/dbraw/zinc/71/19/30/1029711930.db2.gz YAKKFKOJXVVISK-OAHLLOKOSA-N 1 2 342.439 3.725 20 0 EHADLO C[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126373504 1029712175 /nfs/dbraw/zinc/71/21/75/1029712175.db2.gz PONNNYHYBSHGTI-SMDDNHRTSA-N 1 2 338.238 3.913 20 0 EHADLO CC(C)[N@H+](Cc1nnc(C2CC2)[nH]1)Cc1cccc(Br)c1 ZINC000347393016 1029724063 /nfs/dbraw/zinc/72/40/63/1029724063.db2.gz LWWPSZRJABYFCY-UHFFFAOYSA-N 1 2 349.276 3.855 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(C2CC2)[nH]1)Cc1cccc(Br)c1 ZINC000347393016 1029724067 /nfs/dbraw/zinc/72/40/67/1029724067.db2.gz LWWPSZRJABYFCY-UHFFFAOYSA-N 1 2 349.276 3.855 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000126607705 1029752621 /nfs/dbraw/zinc/75/26/21/1029752621.db2.gz QMYCVEOCINDWMA-SFHVURJKSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000126607705 1029752625 /nfs/dbraw/zinc/75/26/25/1029752625.db2.gz QMYCVEOCINDWMA-SFHVURJKSA-N 1 2 341.432 3.736 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(Br)s2)cn1 ZINC000428452341 1029771784 /nfs/dbraw/zinc/77/17/84/1029771784.db2.gz LAMNWSKXQMFJBS-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000428612513 1029759291 /nfs/dbraw/zinc/75/92/91/1029759291.db2.gz RNNPFRXYUCETLF-INMHGKMJSA-N 1 2 326.444 3.763 20 0 EHADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(Br)s2)cn1 ZINC000428452341 1029771777 /nfs/dbraw/zinc/77/17/77/1029771777.db2.gz LAMNWSKXQMFJBS-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475644083 1029796392 /nfs/dbraw/zinc/79/63/92/1029796392.db2.gz YRKHEZKPQLBGEB-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475644083 1029796400 /nfs/dbraw/zinc/79/64/00/1029796400.db2.gz YRKHEZKPQLBGEB-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2cccc(F)c2)CC1)NC1CCCCC1 ZINC000533825204 1029873094 /nfs/dbraw/zinc/87/30/94/1029873094.db2.gz PPRYOESSGXYUDM-UHFFFAOYSA-N 1 2 330.447 3.754 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000583483623 1029894179 /nfs/dbraw/zinc/89/41/79/1029894179.db2.gz OPGLVBRKROPSQF-OAHLLOKOSA-N 1 2 346.519 3.933 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481738101 1029895564 /nfs/dbraw/zinc/89/55/64/1029895564.db2.gz PXTBVCQFOXCCNJ-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481738101 1029895585 /nfs/dbraw/zinc/89/55/85/1029895585.db2.gz PXTBVCQFOXCCNJ-UHFFFAOYSA-N 1 2 336.435 3.571 20 0 EHADLO FC(F)(F)[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1 ZINC000428464978 1029902553 /nfs/dbraw/zinc/90/25/53/1029902553.db2.gz AUNCDLUYEJOFPC-MRXNPFEDSA-N 1 2 337.345 3.634 20 0 EHADLO CCc1nc(C)c(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)o1 ZINC000428469604 1029930055 /nfs/dbraw/zinc/93/00/55/1029930055.db2.gz VWCYSEZSKJAFGF-QGZVFWFLSA-N 1 2 344.455 3.735 20 0 EHADLO CCc1nc(C)c(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)o1 ZINC000428469604 1029930081 /nfs/dbraw/zinc/93/00/81/1029930081.db2.gz VWCYSEZSKJAFGF-QGZVFWFLSA-N 1 2 344.455 3.735 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccsc3)co2)cc1 ZINC000611773016 1029982398 /nfs/dbraw/zinc/98/23/98/1029982398.db2.gz XFHLUERVJGTOSS-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccsc3)co2)cc1 ZINC000611773016 1029982418 /nfs/dbraw/zinc/98/24/18/1029982418.db2.gz XFHLUERVJGTOSS-UHFFFAOYSA-N 1 2 342.420 3.822 20 0 EHADLO CC[NH+](CC)Cc1nc(CSCc2ccc(Cl)cc2)no1 ZINC000453259197 1029990078 /nfs/dbraw/zinc/99/00/78/1029990078.db2.gz WOZNPOSXUPXEHQ-UHFFFAOYSA-N 1 2 325.865 3.998 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCC2CCCCC2)s1 ZINC000525639015 1029990686 /nfs/dbraw/zinc/99/06/86/1029990686.db2.gz OIEMJWSSMKDGKD-CQSZACIVSA-N 1 2 337.533 3.703 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCC2CCCCC2)s1 ZINC000525639015 1029990701 /nfs/dbraw/zinc/99/07/01/1029990701.db2.gz OIEMJWSSMKDGKD-CQSZACIVSA-N 1 2 337.533 3.703 20 0 EHADLO CSc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127899456 1030021581 /nfs/dbraw/zinc/02/15/81/1030021581.db2.gz DTVYUNNTOKCURS-BBRMVZONSA-N 1 2 330.457 3.720 20 0 EHADLO Cc1csc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 ZINC000481841549 1030033748 /nfs/dbraw/zinc/03/37/48/1030033748.db2.gz XWGMJMHQYONSGW-ILXRZTDVSA-N 1 2 336.501 3.926 20 0 EHADLO Cc1csc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 ZINC000481841549 1030033759 /nfs/dbraw/zinc/03/37/59/1030033759.db2.gz XWGMJMHQYONSGW-ILXRZTDVSA-N 1 2 336.501 3.926 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)CC2 ZINC000531943291 1030062450 /nfs/dbraw/zinc/06/24/50/1030062450.db2.gz MUFQRHYWODGHGX-WOJBJXKFSA-N 1 2 333.435 3.795 20 0 EHADLO C[C@](CO)([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000600645388 1030102863 /nfs/dbraw/zinc/10/28/63/1030102863.db2.gz LBSHYLXUMSKFHS-LJQANCHMSA-N 1 2 342.826 3.992 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1OC(F)F ZINC000453333232 1030113830 /nfs/dbraw/zinc/11/38/30/1030113830.db2.gz BKLCOUISMAFHGK-KWBADKCTSA-N 1 2 325.334 3.980 20 0 EHADLO C[C@H](c1ncc(Br)cc1F)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453338928 1030123927 /nfs/dbraw/zinc/12/39/27/1030123927.db2.gz BRESHKCBGLEAIF-ABAIWWIYSA-N 1 2 343.240 3.547 20 0 EHADLO C[C@H](c1ncc(Br)cc1F)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453338928 1030123935 /nfs/dbraw/zinc/12/39/35/1030123935.db2.gz BRESHKCBGLEAIF-ABAIWWIYSA-N 1 2 343.240 3.547 20 0 EHADLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000472293655 1030145530 /nfs/dbraw/zinc/14/55/30/1030145530.db2.gz FTUOCRMJTSHMQP-LLVKDONJSA-N 1 2 338.238 3.720 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668681229 1030157410 /nfs/dbraw/zinc/15/74/10/1030157410.db2.gz HDGKBZLGXRQBJD-HZPDHXFCSA-N 1 2 331.847 3.614 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cncn2Cc2ccccc2)CCO1 ZINC000525835315 1030159482 /nfs/dbraw/zinc/15/94/82/1030159482.db2.gz CEQPKIHXNPELFB-QFIPXVFZSA-N 1 2 347.462 3.679 20 0 EHADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cncn2Cc2ccccc2)CCO1 ZINC000525835315 1030159489 /nfs/dbraw/zinc/15/94/89/1030159489.db2.gz CEQPKIHXNPELFB-QFIPXVFZSA-N 1 2 347.462 3.679 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000121104435 1030182188 /nfs/dbraw/zinc/18/21/88/1030182188.db2.gz PVMGUFFQXPIWPL-IAGOWNOFSA-N 1 2 344.503 3.650 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 ZINC000367379431 1030184083 /nfs/dbraw/zinc/18/40/83/1030184083.db2.gz JEQYIYGDKPXRES-LLVKDONJSA-N 1 2 344.267 3.807 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 ZINC000367379431 1030184090 /nfs/dbraw/zinc/18/40/90/1030184090.db2.gz JEQYIYGDKPXRES-LLVKDONJSA-N 1 2 344.267 3.807 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091082793 1030220002 /nfs/dbraw/zinc/22/00/02/1030220002.db2.gz WITCWNOOHGNJIS-CQSZACIVSA-N 1 2 335.398 3.675 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091082793 1030220015 /nfs/dbraw/zinc/22/00/15/1030220015.db2.gz WITCWNOOHGNJIS-CQSZACIVSA-N 1 2 335.398 3.675 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc(OC(F)F)cc1 ZINC000635080285 1030224074 /nfs/dbraw/zinc/22/40/74/1030224074.db2.gz ZWHBSRVTRZJZGK-NSHDSACASA-N 1 2 349.259 3.617 20 0 EHADLO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000453412078 1030225579 /nfs/dbraw/zinc/22/55/79/1030225579.db2.gz XPESIYBYXYICEN-FZKQIMNGSA-N 1 2 346.450 3.795 20 0 EHADLO CCOc1ncccc1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091283851 1030247871 /nfs/dbraw/zinc/24/78/71/1030247871.db2.gz OYGWYQUIDCDKFH-GFCCVEGCSA-N 1 2 344.846 3.871 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000525977764 1030263877 /nfs/dbraw/zinc/26/38/77/1030263877.db2.gz IABHYRKDFGTIKD-CJNGLKHVSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000525977764 1030263895 /nfs/dbraw/zinc/26/38/95/1030263895.db2.gz IABHYRKDFGTIKD-CJNGLKHVSA-N 1 2 339.863 3.691 20 0 EHADLO Cc1ccc2cc(C[NH+]3CCN([C@@H](C)c4nccs4)CC3)[nH]c2c1 ZINC000667994417 1030306896 /nfs/dbraw/zinc/30/68/96/1030306896.db2.gz FHXODKOSBJHQAY-HNNXBMFYSA-N 1 2 340.496 3.812 20 0 EHADLO COC(=O)c1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)o1 ZINC000532059126 1030348748 /nfs/dbraw/zinc/34/87/48/1030348748.db2.gz VJNFZQHQJSUUDI-UHFFFAOYSA-N 1 2 329.371 3.885 20 0 EHADLO COCCOc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001213089739 1030368195 /nfs/dbraw/zinc/36/81/95/1030368195.db2.gz BMFVCQSWWYOKPI-UHFFFAOYSA-N 1 2 327.359 3.985 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC001213089854 1030389706 /nfs/dbraw/zinc/38/97/06/1030389706.db2.gz ICGJHGDLIQKFPR-UHFFFAOYSA-N 1 2 329.306 3.885 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1csc2ccccc12 ZINC000343344870 1030404164 /nfs/dbraw/zinc/40/41/64/1030404164.db2.gz HBWBFCWKQMECRV-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO COc1ccc(C[N@H+]2CCC(C)=C(C)C2)c(Br)c1O ZINC000482458231 1030443459 /nfs/dbraw/zinc/44/34/59/1030443459.db2.gz SMZGSFSEGUSTGY-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C(C)=O)c1 ZINC001213089994 1030410426 /nfs/dbraw/zinc/41/04/26/1030410426.db2.gz OVOHBCVJHKXEJY-UHFFFAOYSA-N 1 2 335.363 3.810 20 0 EHADLO CSc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000157297277 1030418852 /nfs/dbraw/zinc/41/88/52/1030418852.db2.gz GJSMNMHINJLRJZ-CQSZACIVSA-N 1 2 344.484 3.629 20 0 EHADLO C=Cn1cc(CN2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)cn1 ZINC000447725773 1030437042 /nfs/dbraw/zinc/43/70/42/1030437042.db2.gz DOAJEIOOYVUVPA-LJQANCHMSA-N 1 2 346.425 3.531 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567968137 1030437967 /nfs/dbraw/zinc/43/79/67/1030437967.db2.gz ZSQQTYYWGZVHNX-SUMWQHHRSA-N 1 2 347.821 3.506 20 0 EHADLO COc1ccc(C[N@@H+]2CCC(C)=C(C)C2)c(Br)c1O ZINC000482458231 1030443452 /nfs/dbraw/zinc/44/34/52/1030443452.db2.gz SMZGSFSEGUSTGY-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000785168564 1030462415 /nfs/dbraw/zinc/46/24/15/1030462415.db2.gz OFSBPLRBUUSAPO-HOTGVXAUSA-N 1 2 340.826 3.751 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000785168564 1030462424 /nfs/dbraw/zinc/46/24/24/1030462424.db2.gz OFSBPLRBUUSAPO-HOTGVXAUSA-N 1 2 340.826 3.751 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)OCC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000785168566 1030462443 /nfs/dbraw/zinc/46/24/43/1030462443.db2.gz OFSBPLRBUUSAPO-HZPDHXFCSA-N 1 2 340.826 3.751 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)OCC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000785168566 1030462451 /nfs/dbraw/zinc/46/24/51/1030462451.db2.gz OFSBPLRBUUSAPO-HZPDHXFCSA-N 1 2 340.826 3.751 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cc(OC)ccc1OC(F)F ZINC000092562130 1030477988 /nfs/dbraw/zinc/47/79/88/1030477988.db2.gz RBOXXCBMDVWXBJ-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cc(OC)ccc1OC(F)F ZINC000092562130 1030477997 /nfs/dbraw/zinc/47/79/97/1030477997.db2.gz RBOXXCBMDVWXBJ-UHFFFAOYSA-N 1 2 341.354 3.538 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(F)c1 ZINC000343358783 1030478377 /nfs/dbraw/zinc/47/83/77/1030478377.db2.gz HFLCLIBQYPKSQN-AWEZNQCLSA-N 1 2 338.386 3.598 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C)c2)s1 ZINC000122034005 1030484516 /nfs/dbraw/zinc/48/45/16/1030484516.db2.gz HQDPHOURNVKALL-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C)c2)s1 ZINC000122034005 1030484527 /nfs/dbraw/zinc/48/45/27/1030484527.db2.gz HQDPHOURNVKALL-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)nc2ccccc12 ZINC000532218790 1030485516 /nfs/dbraw/zinc/48/55/16/1030485516.db2.gz CPXZEMMFJOBHJS-AWEZNQCLSA-N 1 2 349.434 3.950 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000343357388 1030486815 /nfs/dbraw/zinc/48/68/15/1030486815.db2.gz ZLUIAUQDZHWELX-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccccc3)c[nH]1)CO2 ZINC000447816042 1030494325 /nfs/dbraw/zinc/49/43/25/1030494325.db2.gz HKRQTEXSLZMTNV-MRXNPFEDSA-N 1 2 325.799 3.953 20 0 EHADLO CCN(Cc1c[nH]c2ccccc12)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000526941648 1030510434 /nfs/dbraw/zinc/51/04/34/1030510434.db2.gz VNOGZVJZRFWZJD-UHFFFAOYSA-N 1 2 346.434 3.715 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831217 1030519211 /nfs/dbraw/zinc/51/92/11/1030519211.db2.gz KOKBWKGSLWFILT-VCBZYWHSSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ncc(-c3ccccc3)s1)C[C@@H](C)O2 ZINC000447831217 1030519217 /nfs/dbraw/zinc/51/92/17/1030519217.db2.gz KOKBWKGSLWFILT-VCBZYWHSSA-N 1 2 344.480 3.578 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](Cc2ccco2)Cc2ccccc2)C1=O ZINC000447851700 1030541347 /nfs/dbraw/zinc/54/13/47/1030541347.db2.gz URJDJELHSKYHOH-LJQANCHMSA-N 1 2 326.440 3.681 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](Cc2ccco2)Cc2ccccc2)C1=O ZINC000447851700 1030541354 /nfs/dbraw/zinc/54/13/54/1030541354.db2.gz URJDJELHSKYHOH-LJQANCHMSA-N 1 2 326.440 3.681 20 0 EHADLO C[N@H+](Cc1nc2ccc(Br)cc2o1)Cc1cccc(O)c1 ZINC000583726930 1030566402 /nfs/dbraw/zinc/56/64/02/1030566402.db2.gz MYHNHZAVDRBLQD-UHFFFAOYSA-N 1 2 347.212 3.928 20 0 EHADLO C[N@@H+](Cc1nc2ccc(Br)cc2o1)Cc1cccc(O)c1 ZINC000583726930 1030566409 /nfs/dbraw/zinc/56/64/09/1030566409.db2.gz MYHNHZAVDRBLQD-UHFFFAOYSA-N 1 2 347.212 3.928 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H](c2cccs2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000532348815 1030573553 /nfs/dbraw/zinc/57/35/53/1030573553.db2.gz VPQYZYJMEOXOMM-UNEWFSDZSA-N 1 2 344.484 3.688 20 0 EHADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)NCCCC1CCCCC1 ZINC000093222304 1030574510 /nfs/dbraw/zinc/57/45/10/1030574510.db2.gz FKMHLESKIQGHNB-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)NCCCC1CCCCC1 ZINC000093222304 1030574522 /nfs/dbraw/zinc/57/45/22/1030574522.db2.gz FKMHLESKIQGHNB-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000093455441 1030611920 /nfs/dbraw/zinc/61/19/20/1030611920.db2.gz AGWQLVXPIYGPQY-IBGZPJMESA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000093455441 1030611929 /nfs/dbraw/zinc/61/19/29/1030611929.db2.gz AGWQLVXPIYGPQY-IBGZPJMESA-N 1 2 336.460 3.902 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1ccn(-c2ccccc2F)n1 ZINC000527074586 1030627488 /nfs/dbraw/zinc/62/74/88/1030627488.db2.gz WMKMUCYCYNTTHD-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1ccn(-c2ccccc2F)n1 ZINC000527074586 1030627499 /nfs/dbraw/zinc/62/74/99/1030627499.db2.gz WMKMUCYCYNTTHD-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO CSCc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000060677211 1030638023 /nfs/dbraw/zinc/63/80/23/1030638023.db2.gz DUKFKQZXVIHVOL-UHFFFAOYSA-N 1 2 346.521 3.569 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccsc1)Cc1cccc(F)c1F ZINC000093608532 1030639760 /nfs/dbraw/zinc/63/97/60/1030639760.db2.gz MJOKXUGHJHXLMC-UHFFFAOYSA-N 1 2 325.380 3.592 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccsc1)Cc1cccc(F)c1F ZINC000093608532 1030639773 /nfs/dbraw/zinc/63/97/73/1030639773.db2.gz MJOKXUGHJHXLMC-UHFFFAOYSA-N 1 2 325.380 3.592 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000482694782 1030642808 /nfs/dbraw/zinc/64/28/08/1030642808.db2.gz DXLOXPGIODKANM-STQMWFEESA-N 1 2 335.448 3.906 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000482694782 1030642817 /nfs/dbraw/zinc/64/28/17/1030642817.db2.gz DXLOXPGIODKANM-STQMWFEESA-N 1 2 335.448 3.906 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCC(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000635189477 1030645426 /nfs/dbraw/zinc/64/54/26/1030645426.db2.gz CSHVOCKTTLUZAF-IBGZPJMESA-N 1 2 325.456 3.877 20 0 EHADLO CCCCCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000122496882 1030656090 /nfs/dbraw/zinc/65/60/90/1030656090.db2.gz VKFWUBHFUDZRCO-CQSZACIVSA-N 1 2 339.505 3.520 20 0 EHADLO CCCCCOCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000122496882 1030656097 /nfs/dbraw/zinc/65/60/97/1030656097.db2.gz VKFWUBHFUDZRCO-CQSZACIVSA-N 1 2 339.505 3.520 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000157625321 1030685173 /nfs/dbraw/zinc/68/51/73/1030685173.db2.gz MSAWSPOOUPRGER-LBPRGKRZSA-N 1 2 347.532 3.852 20 0 EHADLO CCC[C@@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000343401456 1030703460 /nfs/dbraw/zinc/70/34/60/1030703460.db2.gz KMNUINAJCCFLFG-OAQYLSRUSA-N 1 2 340.515 3.568 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000171379267 1030754705 /nfs/dbraw/zinc/75/47/05/1030754705.db2.gz UZXKIKNQQAYZSL-HNNXBMFYSA-N 1 2 341.352 3.792 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000171379267 1030754716 /nfs/dbraw/zinc/75/47/16/1030754716.db2.gz UZXKIKNQQAYZSL-HNNXBMFYSA-N 1 2 341.352 3.792 20 0 EHADLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000343425429 1030814442 /nfs/dbraw/zinc/81/44/42/1030814442.db2.gz VUARECKUFHWJEE-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO CCOc1ccc(C2=CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000583815642 1030827300 /nfs/dbraw/zinc/82/73/00/1030827300.db2.gz UZLNWCMFTPGVAA-INIZCTEOSA-N 1 2 339.439 3.549 20 0 EHADLO O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172068431 1030827846 /nfs/dbraw/zinc/82/78/46/1030827846.db2.gz QJKMEISSASMNJA-WOJBJXKFSA-N 1 2 347.418 3.522 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCCCC3)nc[nH+]2)[C@H]2CCCO2)cc1 ZINC000172150838 1030839784 /nfs/dbraw/zinc/83/97/84/1030839784.db2.gz AFTIPCWOASSSOB-XLIONFOSSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO2)cc1 ZINC000172150838 1030839806 /nfs/dbraw/zinc/83/98/06/1030839806.db2.gz AFTIPCWOASSSOB-XLIONFOSSA-N 1 2 338.455 3.799 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000172168112 1030844218 /nfs/dbraw/zinc/84/42/18/1030844218.db2.gz DLASEWZWZUQVCP-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000172168112 1030844239 /nfs/dbraw/zinc/84/42/39/1030844239.db2.gz DLASEWZWZUQVCP-OAHLLOKOSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cc(NC(=O)CCCCCNC(=O)NC2CCCCC2)cc[nH+]1 ZINC000115381818 1030859822 /nfs/dbraw/zinc/85/98/22/1030859822.db2.gz IAAXKANCQSQLDL-UHFFFAOYSA-N 1 2 346.475 3.521 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)C2CC2)o1 ZINC000097492047 1030933621 /nfs/dbraw/zinc/93/36/21/1030933621.db2.gz JHVFKPWIOWPOKS-OAHLLOKOSA-N 1 2 344.430 3.911 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)C2CC2)o1 ZINC000097492047 1030933641 /nfs/dbraw/zinc/93/36/41/1030933641.db2.gz JHVFKPWIOWPOKS-OAHLLOKOSA-N 1 2 344.430 3.911 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506149 1030935910 /nfs/dbraw/zinc/93/59/10/1030935910.db2.gz ANBSOQGQDKKJHG-OIISXLGYSA-N 1 2 348.512 3.964 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000527506149 1030935916 /nfs/dbraw/zinc/93/59/16/1030935916.db2.gz ANBSOQGQDKKJHG-OIISXLGYSA-N 1 2 348.512 3.964 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000527540169 1030997241 /nfs/dbraw/zinc/99/72/41/1030997241.db2.gz UTLIGTJQFIOBQN-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000527540169 1030997255 /nfs/dbraw/zinc/99/72/55/1030997255.db2.gz UTLIGTJQFIOBQN-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cc(NCc2nccn2CCCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000343463276 1030997240 /nfs/dbraw/zinc/99/72/40/1030997240.db2.gz URZWYTOITMAJDK-UHFFFAOYSA-N 1 2 349.482 3.772 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1nnc2n1CCCCC2 ZINC000924623281 1031050841 /nfs/dbraw/zinc/05/08/41/1031050841.db2.gz CUDWUZJIHQQMFS-DOMZBBRYSA-N 1 2 345.878 3.781 20 0 EHADLO Fc1cccc(F)c1CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000668226104 1031059946 /nfs/dbraw/zinc/05/99/46/1031059946.db2.gz DGJXSTDNUYFSKA-UHFFFAOYSA-N 1 2 346.425 3.736 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1 ZINC000483277991 1031084130 /nfs/dbraw/zinc/08/41/30/1031084130.db2.gz AXLOPISJJBZNDX-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1 ZINC000483277991 1031084150 /nfs/dbraw/zinc/08/41/50/1031084150.db2.gz AXLOPISJJBZNDX-VQIMIIECSA-N 1 2 326.440 3.669 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nc(C3CC3)cs2)c(F)cc1OC ZINC000527672669 1031105364 /nfs/dbraw/zinc/10/53/64/1031105364.db2.gz CIVDVHRQEVZSAO-UHFFFAOYSA-N 1 2 336.432 3.857 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000483319113 1031114606 /nfs/dbraw/zinc/11/46/06/1031114606.db2.gz JVOBBOGFKCGAOT-IBGZPJMESA-N 1 2 331.504 3.707 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000483319113 1031114610 /nfs/dbraw/zinc/11/46/10/1031114610.db2.gz JVOBBOGFKCGAOT-IBGZPJMESA-N 1 2 331.504 3.707 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nc3c(cccc3C)[nH]2)c(F)cc1OC ZINC000527685381 1031150504 /nfs/dbraw/zinc/15/05/04/1031150504.db2.gz MKWGKXXMQWHTMY-UHFFFAOYSA-N 1 2 343.402 3.708 20 0 EHADLO CCn1ncc(C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)n1 ZINC000527733790 1031167697 /nfs/dbraw/zinc/16/76/97/1031167697.db2.gz GPDMFFPLQSHSKL-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO CCC[N@H+](Cc1ncccc1C(F)(F)F)[C@@H](CC)C(=O)OCC ZINC000483437564 1031168161 /nfs/dbraw/zinc/16/81/61/1031168161.db2.gz KLKLPHVONXTHKL-AWEZNQCLSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H](CC)C(=O)OCC ZINC000483437564 1031168165 /nfs/dbraw/zinc/16/81/65/1031168165.db2.gz KLKLPHVONXTHKL-AWEZNQCLSA-N 1 2 332.366 3.654 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1cc(C)c(Br)s1)C1CCC1 ZINC000483445503 1031175204 /nfs/dbraw/zinc/17/52/04/1031175204.db2.gz XFEOOOGDUNRUSL-JTQLQIEISA-N 1 2 346.290 3.735 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1cc(C)c(Br)s1)C1CCC1 ZINC000483445503 1031175206 /nfs/dbraw/zinc/17/52/06/1031175206.db2.gz XFEOOOGDUNRUSL-JTQLQIEISA-N 1 2 346.290 3.735 20 0 EHADLO O=C(c1cc(Oc2ccccc2)ccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000174267682 1031186371 /nfs/dbraw/zinc/18/63/71/1031186371.db2.gz WWCQGFAGNFTKJQ-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000483542198 1031211074 /nfs/dbraw/zinc/21/10/74/1031211074.db2.gz IHIFHBYQKIZMJR-OAHLLOKOSA-N 1 2 337.460 3.564 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000483542198 1031211090 /nfs/dbraw/zinc/21/10/90/1031211090.db2.gz IHIFHBYQKIZMJR-OAHLLOKOSA-N 1 2 337.460 3.564 20 0 EHADLO O=C(C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)N1CCCCCC1 ZINC000477074295 1031223996 /nfs/dbraw/zinc/22/39/96/1031223996.db2.gz RILCYYWJGIVUKV-UHFFFAOYSA-N 1 2 338.451 3.707 20 0 EHADLO O=C(C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)N1CCCCCC1 ZINC000477074295 1031224004 /nfs/dbraw/zinc/22/40/04/1031224004.db2.gz RILCYYWJGIVUKV-UHFFFAOYSA-N 1 2 338.451 3.707 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)c21 ZINC000343520585 1031239519 /nfs/dbraw/zinc/23/95/19/1031239519.db2.gz UQQVDXGATNEOOI-LJQANCHMSA-N 1 2 331.423 3.516 20 0 EHADLO CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000477089931 1031241876 /nfs/dbraw/zinc/24/18/76/1031241876.db2.gz PBFZQMKYESDTNF-KSSFIOAISA-N 1 2 341.455 3.886 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000314991540 1031246179 /nfs/dbraw/zinc/24/61/79/1031246179.db2.gz RUYWOGJRYUTUFZ-DTWKUNHWSA-N 1 2 326.368 3.620 20 0 EHADLO CC(C)c1ccsc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643844 1031258826 /nfs/dbraw/zinc/25/88/26/1031258826.db2.gz SYNHLVUXIUBDRR-UHFFFAOYSA-N 1 2 344.480 3.956 20 0 EHADLO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1nccs1 ZINC000175057959 1031271180 /nfs/dbraw/zinc/27/11/80/1031271180.db2.gz NCTNMQVLKJJPRQ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1nccs1 ZINC000175057959 1031271195 /nfs/dbraw/zinc/27/11/95/1031271195.db2.gz NCTNMQVLKJJPRQ-UHFFFAOYSA-N 1 2 334.832 3.521 20 0 EHADLO C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175193417 1031310905 /nfs/dbraw/zinc/31/09/05/1031310905.db2.gz SLQQYLAZOCXJON-UHFFFAOYSA-N 1 2 343.448 3.729 20 0 EHADLO C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175193417 1031310921 /nfs/dbraw/zinc/31/09/21/1031310921.db2.gz SLQQYLAZOCXJON-UHFFFAOYSA-N 1 2 343.448 3.729 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cccnc1 ZINC000132436823 1031326609 /nfs/dbraw/zinc/32/66/09/1031326609.db2.gz GPYUGHHWGGULJK-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cccnc1 ZINC000132436823 1031326625 /nfs/dbraw/zinc/32/66/25/1031326625.db2.gz GPYUGHHWGGULJK-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO CC(C)(C)[C@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668262818 1031326960 /nfs/dbraw/zinc/32/69/60/1031326960.db2.gz BJXQTDMEBHHSNU-DLBZAZTESA-N 1 2 325.456 3.969 20 0 EHADLO COc1ccc(C)cc1C1(CNc2[nH+]cccc2OC)CCOCC1 ZINC000527860797 1031338265 /nfs/dbraw/zinc/33/82/65/1031338265.db2.gz XZRYTCWSLSIKAE-UHFFFAOYSA-N 1 2 342.439 3.568 20 0 EHADLO CCc1nc2cc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)ccc2o1 ZINC000635377679 1031347087 /nfs/dbraw/zinc/34/70/87/1031347087.db2.gz AFTKVEMKFHMFDI-OAHLLOKOSA-N 1 2 326.400 3.813 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)s1 ZINC000315368594 1031354404 /nfs/dbraw/zinc/35/44/04/1031354404.db2.gz QIPKYUITDHRLMC-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527873418 1031358799 /nfs/dbraw/zinc/35/87/99/1031358799.db2.gz ZLHYVXINAUSUMV-OAHLLOKOSA-N 1 2 325.456 3.612 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(Cl)ncnc2N(C)C)c1 ZINC000278560484 1031380070 /nfs/dbraw/zinc/38/00/70/1031380070.db2.gz IHLLWIONJIMKJW-MRXNPFEDSA-N 1 2 346.862 3.542 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2Cc2c(Cl)ncnc2N(C)C)c1 ZINC000278560484 1031380081 /nfs/dbraw/zinc/38/00/81/1031380081.db2.gz IHLLWIONJIMKJW-MRXNPFEDSA-N 1 2 346.862 3.542 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000175850131 1031389451 /nfs/dbraw/zinc/38/94/51/1031389451.db2.gz SQBLECUPVPWCJR-JXFKEZNVSA-N 1 2 346.434 3.775 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC[C@H]1c1cccc(F)c1)n1cc[nH+]c1 ZINC000635393554 1031402834 /nfs/dbraw/zinc/40/28/34/1031402834.db2.gz MYNOFUSQRDPCAV-ZWKOTPCHSA-N 1 2 329.419 3.973 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H]1C ZINC000448639936 1031410548 /nfs/dbraw/zinc/41/05/48/1031410548.db2.gz SJYROAZHHYGESZ-LMMKCTJWSA-N 1 2 339.483 3.662 20 0 EHADLO CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176724299 1031450983 /nfs/dbraw/zinc/45/09/83/1031450983.db2.gz ZDCOTJQLHSCBBY-WBVHZDCISA-N 1 2 329.469 3.666 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000343590298 1031522148 /nfs/dbraw/zinc/52/21/48/1031522148.db2.gz PCRNUCONUXHNRH-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000343590298 1031522158 /nfs/dbraw/zinc/52/21/58/1031522158.db2.gz PCRNUCONUXHNRH-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO CCC(=O)C1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000448711501 1031529782 /nfs/dbraw/zinc/52/97/82/1031529782.db2.gz GSUAJLDBNIELIV-UHFFFAOYSA-N 1 2 337.423 3.584 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484342410 1031545365 /nfs/dbraw/zinc/54/53/65/1031545365.db2.gz SCIWPSXUXHXIEP-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484342410 1031545378 /nfs/dbraw/zinc/54/53/78/1031545378.db2.gz SCIWPSXUXHXIEP-CQSZACIVSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3nc4ccccc4c(C)c3Cl)C2)n[nH]1 ZINC000584039546 1031548303 /nfs/dbraw/zinc/54/83/03/1031548303.db2.gz XQIZGJNVYFODKI-ZDUSSCGKSA-N 1 2 341.846 3.613 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3nc4ccccc4c(C)c3Cl)C2)n[nH]1 ZINC000584039546 1031548311 /nfs/dbraw/zinc/54/83/11/1031548311.db2.gz XQIZGJNVYFODKI-ZDUSSCGKSA-N 1 2 341.846 3.613 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)cc1 ZINC000484356205 1031556016 /nfs/dbraw/zinc/55/60/16/1031556016.db2.gz MJZRDLUYWOLMIE-SFHVURJKSA-N 1 2 333.472 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)cc1 ZINC000484356205 1031556030 /nfs/dbraw/zinc/55/60/30/1031556030.db2.gz MJZRDLUYWOLMIE-SFHVURJKSA-N 1 2 333.472 3.744 20 0 EHADLO Cc1cccn2cc(C[S@](=O)c3ccc(Br)cc3)[nH+]c12 ZINC000083977325 1031558400 /nfs/dbraw/zinc/55/84/00/1031558400.db2.gz KXZDJEJMDDPYRK-HXUWFJFHSA-N 1 2 349.253 3.713 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)NCCCCNc1cccc[nH+]1 ZINC000343608010 1031606682 /nfs/dbraw/zinc/60/66/82/1031606682.db2.gz SKNGJPFYKKEXPY-UHFFFAOYSA-N 1 2 337.423 3.687 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC(OCC(C)C)CC2)no1 ZINC000178075017 1031617694 /nfs/dbraw/zinc/61/76/94/1031617694.db2.gz GQWGBGXKNUNGIX-UHFFFAOYSA-N 1 2 329.444 3.682 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)n2)C1 ZINC000448772044 1031658363 /nfs/dbraw/zinc/65/83/63/1031658363.db2.gz RNPANQSLXHWKSG-MVWJERBFSA-N 1 2 347.406 3.512 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)n2)C1 ZINC000448772044 1031658367 /nfs/dbraw/zinc/65/83/67/1031658367.db2.gz RNPANQSLXHWKSG-MVWJERBFSA-N 1 2 347.406 3.512 20 0 EHADLO C[C@H](Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000667017888 1031662601 /nfs/dbraw/zinc/66/26/01/1031662601.db2.gz COBSVNNULMFKRE-CQSZACIVSA-N 1 2 347.484 3.785 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448794948 1031700701 /nfs/dbraw/zinc/70/07/01/1031700701.db2.gz LFXJFXHTRKMLMD-LBPRGKRZSA-N 1 2 343.324 3.606 20 0 EHADLO Oc1ccc(C[N@H+](Cc2ccco2)Cc2cnn3ccccc23)cc1 ZINC000179407082 1031749188 /nfs/dbraw/zinc/74/91/88/1031749188.db2.gz FVHZOBSWOHANIV-UHFFFAOYSA-N 1 2 333.391 3.835 20 0 EHADLO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cnn3ccccc23)cc1 ZINC000179407082 1031749202 /nfs/dbraw/zinc/74/92/02/1031749202.db2.gz FVHZOBSWOHANIV-UHFFFAOYSA-N 1 2 333.391 3.835 20 0 EHADLO CC(C)(C)CCc1noc([C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904119843 1031754574 /nfs/dbraw/zinc/75/45/74/1031754574.db2.gz ZTDJXFVJBDMKEI-ZDUSSCGKSA-N 1 2 338.249 3.859 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1c1cccs1 ZINC000343653870 1031794529 /nfs/dbraw/zinc/79/45/29/1031794529.db2.gz BKRGSQRUIAPOIB-OAGGEKHMSA-N 1 2 341.480 3.579 20 0 EHADLO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179849652 1031813803 /nfs/dbraw/zinc/81/38/03/1031813803.db2.gz KLYWKAHMZXYLCU-UHFFFAOYSA-N 1 2 329.407 3.511 20 0 EHADLO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179849652 1031813814 /nfs/dbraw/zinc/81/38/14/1031813814.db2.gz KLYWKAHMZXYLCU-UHFFFAOYSA-N 1 2 329.407 3.511 20 0 EHADLO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2noc(C)n2)cc1 ZINC000484623833 1031815570 /nfs/dbraw/zinc/81/55/70/1031815570.db2.gz YHBBXUVUNGIKED-MSOLQXFVSA-N 1 2 345.443 3.647 20 0 EHADLO c1cn(CCCSc2nnc(-c3cc4ccccc4o3)o2)c[nH+]1 ZINC000180438253 1031852868 /nfs/dbraw/zinc/85/28/68/1031852868.db2.gz FLPJWAHBHUJPFO-UHFFFAOYSA-N 1 2 326.381 3.862 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000180234816 1031870606 /nfs/dbraw/zinc/87/06/06/1031870606.db2.gz ZEITWBJXJJSFSH-SFHVURJKSA-N 1 2 347.462 3.735 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000151681390 1031883074 /nfs/dbraw/zinc/88/30/74/1031883074.db2.gz ONUYDQWOPNRWBN-UHFFFAOYSA-N 1 2 347.418 3.874 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CSC[C@H]2c2ccccc2)n1 ZINC000904263122 1031890528 /nfs/dbraw/zinc/89/05/28/1031890528.db2.gz RCUKETLOGVXLLC-LSDHHAIUSA-N 1 2 338.436 3.636 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(/C=C/c2cnc(C(C)(C)C)s2)n1 ZINC000904265764 1031892723 /nfs/dbraw/zinc/89/27/23/1031892723.db2.gz QOJBSIRCMXHEML-AATRIKPKSA-N 1 2 341.440 3.947 20 0 EHADLO Cc1cccc(OCCCCc2nc(-c3c[nH+]c(N)cc3C)no2)c1 ZINC000904272101 1031899197 /nfs/dbraw/zinc/89/91/97/1031899197.db2.gz JUOZOGFCIPOGMF-UHFFFAOYSA-N 1 2 338.411 3.732 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(F)F ZINC000460688080 1031960322 /nfs/dbraw/zinc/96/03/22/1031960322.db2.gz CFVGVGWXMFFXBZ-ABAIWWIYSA-N 1 2 331.366 3.726 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181243148 1031960422 /nfs/dbraw/zinc/96/04/22/1031960422.db2.gz LPBKWRHUFXMRPH-QGZVFWFLSA-N 1 2 338.455 3.836 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181243148 1031960435 /nfs/dbraw/zinc/96/04/35/1031960435.db2.gz LPBKWRHUFXMRPH-QGZVFWFLSA-N 1 2 338.455 3.836 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000181372682 1031980730 /nfs/dbraw/zinc/98/07/30/1031980730.db2.gz SRNCWDMPCGAASF-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccccc1 ZINC000181372682 1031980742 /nfs/dbraw/zinc/98/07/42/1031980742.db2.gz SRNCWDMPCGAASF-HXUWFJFHSA-N 1 2 337.467 3.704 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347487532 1031990749 /nfs/dbraw/zinc/99/07/49/1031990749.db2.gz RAWDMRZIGIGNEA-IEBWSBKVSA-N 1 2 339.483 3.785 20 0 EHADLO CC[C@]1(C)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000343701223 1031998236 /nfs/dbraw/zinc/99/82/36/1031998236.db2.gz NSPGQGSEUYJUMU-LJQANCHMSA-N 1 2 342.443 3.616 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507567 1032000108 /nfs/dbraw/zinc/00/01/08/1032000108.db2.gz FGHBLRBSANANPA-HOTGVXAUSA-N 1 2 332.492 3.516 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507567 1032000121 /nfs/dbraw/zinc/00/01/21/1032000121.db2.gz FGHBLRBSANANPA-HOTGVXAUSA-N 1 2 332.492 3.516 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000455810061 1032013351 /nfs/dbraw/zinc/01/33/51/1032013351.db2.gz CEYDFMPFFWXMOI-HNNXBMFYSA-N 1 2 340.427 3.660 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000449016107 1032028232 /nfs/dbraw/zinc/02/82/32/1032028232.db2.gz MRSXRLSFDGHURT-ZWKOTPCHSA-N 1 2 328.481 3.682 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000449016107 1032028247 /nfs/dbraw/zinc/02/82/47/1032028247.db2.gz MRSXRLSFDGHURT-ZWKOTPCHSA-N 1 2 328.481 3.682 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)C1 ZINC000459398396 1032036847 /nfs/dbraw/zinc/03/68/47/1032036847.db2.gz YCEXXWVHXLDYNJ-BDVYOWHSSA-N 1 2 341.398 3.617 20 0 EHADLO CC(C)OC1CC([N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)C1 ZINC000459398396 1032036866 /nfs/dbraw/zinc/03/68/66/1032036866.db2.gz YCEXXWVHXLDYNJ-BDVYOWHSSA-N 1 2 341.398 3.617 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@]1=O ZINC000574636480 1033329931 /nfs/dbraw/zinc/32/99/31/1033329931.db2.gz ZQKVTJHQARXDKQ-OWJWWREXSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@]1=O ZINC000574636480 1033329944 /nfs/dbraw/zinc/32/99/44/1033329944.db2.gz ZQKVTJHQARXDKQ-OWJWWREXSA-N 1 2 347.455 3.961 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccc(F)cc1F ZINC000898107295 1033332550 /nfs/dbraw/zinc/33/25/50/1033332550.db2.gz VETCPAZDRDVDNO-MQBCKMQZSA-N 1 2 349.425 3.723 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000455947557 1033381447 /nfs/dbraw/zinc/38/14/47/1033381447.db2.gz ORWKJLWVDLOTBK-ZDUSSCGKSA-N 1 2 337.345 3.579 20 0 EHADLO Cc1ccc(F)c(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000065701295 1033412517 /nfs/dbraw/zinc/41/25/17/1033412517.db2.gz JYBWHNYWPYRCEP-UHFFFAOYSA-N 1 2 349.500 3.710 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3oc(-c4ccccc4)cc3C2)c[nH+]1 ZINC000898268865 1033419598 /nfs/dbraw/zinc/41/95/98/1033419598.db2.gz NQSDZAQPCZRAGM-UHFFFAOYSA-N 1 2 349.434 3.772 20 0 EHADLO CC(C)[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000358141968 1033444300 /nfs/dbraw/zinc/44/43/00/1033444300.db2.gz NHMJCIHOQACQCD-SFHVURJKSA-N 1 2 342.487 3.914 20 0 EHADLO C[C@@H](CCc1ccco1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616972 1033467048 /nfs/dbraw/zinc/46/70/48/1033467048.db2.gz YRWIDJNHGICGLN-MAUKXSAKSA-N 1 2 344.455 3.538 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608118149 1033479539 /nfs/dbraw/zinc/47/95/39/1033479539.db2.gz XYVNEILFEDBJSU-INIZCTEOSA-N 1 2 340.442 3.526 20 0 EHADLO Cc1ccc(C)c(CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608207617 1033541841 /nfs/dbraw/zinc/54/18/41/1033541841.db2.gz IOBWAZUOUFIDLN-HXUWFJFHSA-N 1 2 347.462 3.680 20 0 EHADLO CCc1ccc(CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608208573 1033544561 /nfs/dbraw/zinc/54/45/61/1033544561.db2.gz VRHSLMCDUPHCEH-HXUWFJFHSA-N 1 2 347.462 3.625 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000608212811 1033546484 /nfs/dbraw/zinc/54/64/84/1033546484.db2.gz BTUNMSMERLYYEP-IBGZPJMESA-N 1 2 335.382 3.658 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001168296586 1033557799 /nfs/dbraw/zinc/55/77/99/1033557799.db2.gz WOSBQUQEIRURDT-OTWHNJEPSA-N 1 2 331.456 3.570 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001168296586 1033557811 /nfs/dbraw/zinc/55/78/11/1033557811.db2.gz WOSBQUQEIRURDT-OTWHNJEPSA-N 1 2 331.456 3.570 20 0 EHADLO O=C([C@@H]1CCCC12CC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529208201 1033600222 /nfs/dbraw/zinc/60/02/22/1033600222.db2.gz OCXPMVZIHCOQJT-KRWDZBQOSA-N 1 2 327.472 3.506 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c2nccn21 ZINC000598978365 1033625047 /nfs/dbraw/zinc/62/50/47/1033625047.db2.gz NCWKISPFIAUNDE-YPMHNXCESA-N 1 2 333.457 3.696 20 0 EHADLO O=c1ccc(CNc2[nH+]cccc2OCc2ccccc2F)c[nH]1 ZINC001168300576 1033647755 /nfs/dbraw/zinc/64/77/55/1033647755.db2.gz YOXIDBIESMDJOE-UHFFFAOYSA-N 1 2 325.343 3.512 20 0 EHADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180720675 1033653406 /nfs/dbraw/zinc/65/34/06/1033653406.db2.gz BXEPGXGYPWBDHX-UHFFFAOYSA-N 1 2 343.652 3.779 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C2CCCC1CCC2 ZINC000608413088 1033673027 /nfs/dbraw/zinc/67/30/27/1033673027.db2.gz AVFUYCFSBSBYRG-UHFFFAOYSA-N 1 2 342.418 3.628 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1O ZINC000685650840 1033676591 /nfs/dbraw/zinc/67/65/91/1033676591.db2.gz XPHIUFGSEDIEAF-QMMMGPOBSA-N 1 2 329.293 3.808 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000610069886 1033720454 /nfs/dbraw/zinc/72/04/54/1033720454.db2.gz KCDYDRSQVLLOQW-ZSHCYNCHSA-N 1 2 345.512 3.817 20 0 EHADLO CCCC[C@@H](CC)COCCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC001168115172 1033723375 /nfs/dbraw/zinc/72/33/75/1033723375.db2.gz WHTNASHSQCWLEF-MRXNPFEDSA-N 1 2 336.476 3.832 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)C2 ZINC000574971044 1033746047 /nfs/dbraw/zinc/74/60/47/1033746047.db2.gz AINUOLFCQXYVLN-OWCLPIDISA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)CC2 ZINC000574971044 1033746059 /nfs/dbraw/zinc/74/60/59/1033746059.db2.gz AINUOLFCQXYVLN-OWCLPIDISA-N 1 2 329.488 3.581 20 0 EHADLO Cc1ccc(F)cc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608553366 1033758025 /nfs/dbraw/zinc/75/80/25/1033758025.db2.gz CAUPBRPGEJUWLF-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000472351537 1033773217 /nfs/dbraw/zinc/77/32/17/1033773217.db2.gz SVMILGWOOLCADW-HNNXBMFYSA-N 1 2 345.402 3.571 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC3=CCCCC3)CC2)cc1 ZINC000174201097 1033804022 /nfs/dbraw/zinc/80/40/22/1033804022.db2.gz ZRSOAVQTMWCSIH-UHFFFAOYSA-N 1 2 341.499 3.728 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000082345979 1033804957 /nfs/dbraw/zinc/80/49/57/1033804957.db2.gz VIZXVRZVWMELSP-UHFFFAOYSA-N 1 2 341.436 3.598 20 0 EHADLO Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)c(Cl)c1Cl ZINC000450162358 1033831709 /nfs/dbraw/zinc/83/17/09/1033831709.db2.gz PUYVAWYUCCSOFQ-UHFFFAOYSA-N 1 2 326.227 3.661 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599280730 1033847614 /nfs/dbraw/zinc/84/76/14/1033847614.db2.gz KRPVDLLDSBZJSD-UHFFFAOYSA-N 1 2 325.836 3.599 20 0 EHADLO Cc1ccc(OCCC[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000608747817 1033858482 /nfs/dbraw/zinc/85/84/82/1033858482.db2.gz FNGJSDSUCSCPLA-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000608747817 1033858490 /nfs/dbraw/zinc/85/84/90/1033858490.db2.gz FNGJSDSUCSCPLA-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000055152488 1033928492 /nfs/dbraw/zinc/92/84/92/1033928492.db2.gz MKVROLLUEVCIML-DJJJIMSYSA-N 1 2 342.414 3.505 20 0 EHADLO Cc1cncc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)no2)c1 ZINC000450231884 1033950143 /nfs/dbraw/zinc/95/01/43/1033950143.db2.gz UYYMGOAPWLWXPP-UHFFFAOYSA-N 1 2 334.423 3.820 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1nc2c(s1)CCCC2 ZINC000658103376 1033954011 /nfs/dbraw/zinc/95/40/11/1033954011.db2.gz JEJGGNNJTUBXBM-AWEZNQCLSA-N 1 2 342.512 3.868 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000450237776 1033960544 /nfs/dbraw/zinc/96/05/44/1033960544.db2.gz PZUPSESDPIQMDH-UHFFFAOYSA-N 1 2 331.481 3.675 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000450237776 1033960559 /nfs/dbraw/zinc/96/05/59/1033960559.db2.gz PZUPSESDPIQMDH-UHFFFAOYSA-N 1 2 331.481 3.675 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cs1 ZINC000658107143 1033961696 /nfs/dbraw/zinc/96/16/96/1033961696.db2.gz OJVMHSUXPNHVLZ-JSGCOSHPSA-N 1 2 329.469 3.505 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCSc1ccccc1Cl ZINC000595771162 1033972286 /nfs/dbraw/zinc/97/22/86/1033972286.db2.gz XEFAEJARFRTZCQ-OAHLLOKOSA-N 1 2 333.856 3.703 20 0 EHADLO C[C@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039224 1033989156 /nfs/dbraw/zinc/98/91/56/1033989156.db2.gz ZMUUNASWXSXUCW-GJZGRUSLSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039224 1033989172 /nfs/dbraw/zinc/98/91/72/1033989172.db2.gz ZMUUNASWXSXUCW-GJZGRUSLSA-N 1 2 329.419 3.517 20 0 EHADLO Fc1cc2[nH+]ccc(NC[C@H]3CCOC3)c2cc1Br ZINC000450273712 1033992674 /nfs/dbraw/zinc/99/26/74/1033992674.db2.gz HUBVKVQUMJHRAF-SECBINFHSA-N 1 2 325.181 3.585 20 0 EHADLO Fc1cc2[nH+]ccc(NC[C@@H]3CCOC3)c2cc1Br ZINC000450273713 1033993898 /nfs/dbraw/zinc/99/38/98/1033993898.db2.gz HUBVKVQUMJHRAF-VIFPVBQESA-N 1 2 325.181 3.585 20 0 EHADLO Cc1nc(CCC(=O)Nc2ccc3[nH+]ccn3c2)oc1-c1ccccc1 ZINC000603882798 1034006473 /nfs/dbraw/zinc/00/64/73/1034006473.db2.gz YKGBOEKXBHCAAS-UHFFFAOYSA-N 1 2 346.390 3.869 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120649539 1034011090 /nfs/dbraw/zinc/01/10/90/1034011090.db2.gz KBKUVGUTSCFEMZ-DOTOQJQBSA-N 1 2 342.464 3.551 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000658160293 1034018367 /nfs/dbraw/zinc/01/83/67/1034018367.db2.gz FHYMPCVQRBGXIY-NSHDSACASA-N 1 2 346.431 3.670 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000118958338 1034060784 /nfs/dbraw/zinc/06/07/84/1034060784.db2.gz CVLFRFNRBDJSHB-ILZDJORESA-N 1 2 337.467 3.606 20 0 EHADLO CO[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450305503 1034061381 /nfs/dbraw/zinc/06/13/81/1034061381.db2.gz ATCOQIWWFVPAAS-SNVBAGLBSA-N 1 2 339.208 3.752 20 0 EHADLO C[C@@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000074870018 1034065383 /nfs/dbraw/zinc/06/53/83/1034065383.db2.gz YTTJFMNNIWBJLV-AEFFLSMTSA-N 1 2 340.471 3.536 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000596075668 1034071102 /nfs/dbraw/zinc/07/11/02/1034071102.db2.gz JAKJRWZMGIQCNV-LLVKDONJSA-N 1 2 336.338 3.572 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000596155595 1034082603 /nfs/dbraw/zinc/08/26/03/1034082603.db2.gz UODXPMNTBFRGME-CHWSQXEVSA-N 1 2 330.350 3.578 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1F ZINC000658227041 1034082922 /nfs/dbraw/zinc/08/29/22/1034082922.db2.gz GLRRSQUZLZLVEJ-CQSZACIVSA-N 1 2 328.387 3.765 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@]2(CC=CCC2)C1 ZINC000603957270 1034090723 /nfs/dbraw/zinc/09/07/23/1034090723.db2.gz FJSUMAQTXGITIY-OAQYLSRUSA-N 1 2 339.483 3.534 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000658214652 1034098766 /nfs/dbraw/zinc/09/87/66/1034098766.db2.gz XJUHQIIXJLVAEI-FQEVSTJZSA-N 1 2 336.414 3.711 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2csc(C3CCCC3)n2)[C@@H](C)C1 ZINC000599687634 1034114910 /nfs/dbraw/zinc/11/49/10/1034114910.db2.gz DQVQAQYGMOMXFQ-STQMWFEESA-N 1 2 336.501 3.963 20 0 EHADLO COC(=O)c1ccc(C(F)(F)F)nc1NCc1cc(C)[nH+]c(C)c1 ZINC000596280383 1034142277 /nfs/dbraw/zinc/14/22/77/1034142277.db2.gz ZKXALBHCZQGCDT-UHFFFAOYSA-N 1 2 339.317 3.511 20 0 EHADLO C[C@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000450340895 1034147729 /nfs/dbraw/zinc/14/77/29/1034147729.db2.gz XUNFIADOOAIDSS-CYBMUJFWSA-N 1 2 328.441 3.819 20 0 EHADLO C[C@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000450340895 1034147742 /nfs/dbraw/zinc/14/77/42/1034147742.db2.gz XUNFIADOOAIDSS-CYBMUJFWSA-N 1 2 328.441 3.819 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000537617064 1034163381 /nfs/dbraw/zinc/16/33/81/1034163381.db2.gz XLKIOVASHCQQKJ-KXBFYZLASA-N 1 2 343.423 3.727 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)o1 ZINC000537617064 1034163386 /nfs/dbraw/zinc/16/33/86/1034163386.db2.gz XLKIOVASHCQQKJ-KXBFYZLASA-N 1 2 343.423 3.727 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000604034501 1034163731 /nfs/dbraw/zinc/16/37/31/1034163731.db2.gz NCYYTZDNZVWJDY-KURKYZTESA-N 1 2 329.488 3.503 20 0 EHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658336697 1034211329 /nfs/dbraw/zinc/21/13/29/1034211329.db2.gz HMVLHMUYSDQPGQ-CQSZACIVSA-N 1 2 326.431 3.855 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccsc2C(F)(F)F)nn1 ZINC000529610477 1034256260 /nfs/dbraw/zinc/25/62/60/1034256260.db2.gz FGOYIJACTPMAIK-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2C1 ZINC000120946985 1034270504 /nfs/dbraw/zinc/27/05/04/1034270504.db2.gz YRIFYYDCGDRMHD-CJNGLKHVSA-N 1 2 342.464 3.561 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NCCCCn1cc[nH+]c1 ZINC000604197205 1034274656 /nfs/dbraw/zinc/27/46/56/1034274656.db2.gz GPHAPRCEJUNEJE-UHFFFAOYSA-N 1 2 343.452 3.703 20 0 EHADLO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000450404615 1034277909 /nfs/dbraw/zinc/27/79/09/1034277909.db2.gz CMMKLDKDZQLVLR-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO CC(=O)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000450404615 1034277920 /nfs/dbraw/zinc/27/79/20/1034277920.db2.gz CMMKLDKDZQLVLR-HXUWFJFHSA-N 1 2 336.435 3.517 20 0 EHADLO C[C@H](CNC(=O)CCCc1csc2ccccc12)Cn1cc[nH+]c1 ZINC000119956418 1034280936 /nfs/dbraw/zinc/28/09/36/1034280936.db2.gz CAWSPDYRDPNMFA-OAHLLOKOSA-N 1 2 341.480 3.873 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C ZINC000596594433 1034311788 /nfs/dbraw/zinc/31/17/88/1034311788.db2.gz VDFSFHNALGKGRC-DYVFJYSZSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C ZINC000596594433 1034311803 /nfs/dbraw/zinc/31/18/03/1034311803.db2.gz VDFSFHNALGKGRC-DYVFJYSZSA-N 1 2 328.412 3.914 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(C)c[nH+]1 ZINC000534299524 1034360017 /nfs/dbraw/zinc/36/00/17/1034360017.db2.gz JPLMTDRHEFYLRS-LSDHHAIUSA-N 1 2 345.240 3.625 20 0 EHADLO CC1(C)Cc2cc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)ccc2O1 ZINC000529666540 1034388791 /nfs/dbraw/zinc/38/87/91/1034388791.db2.gz UNFRIVWEURMROJ-UHFFFAOYSA-N 1 2 335.451 3.626 20 0 EHADLO CC1(C)Cc2cc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)ccc2O1 ZINC000529666540 1034388805 /nfs/dbraw/zinc/38/88/05/1034388805.db2.gz UNFRIVWEURMROJ-UHFFFAOYSA-N 1 2 335.451 3.626 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604584374 1034428733 /nfs/dbraw/zinc/42/87/33/1034428733.db2.gz QFIYQHASQZFDQW-UWJYYQICSA-N 1 2 349.478 3.590 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000102224388 1034444128 /nfs/dbraw/zinc/44/41/28/1034444128.db2.gz WWVBZFBSWPWJST-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540962 1034483685 /nfs/dbraw/zinc/48/36/85/1034483685.db2.gz VGICFZFQRVJCCG-ABDJAZHISA-N 1 2 341.842 3.533 20 0 EHADLO COc1cc(CN(C)c2cc(C)[nH+]c(C3CC3)n2)ccc1OC(F)F ZINC000604756044 1034498506 /nfs/dbraw/zinc/49/85/06/1034498506.db2.gz TUOFGHAAFREYLU-UHFFFAOYSA-N 1 2 349.381 3.909 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000604849581 1034524724 /nfs/dbraw/zinc/52/47/24/1034524724.db2.gz VTPLRVWGBAQRQR-KRWDZBQOSA-N 1 2 339.464 3.825 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456556089 1034537889 /nfs/dbraw/zinc/53/78/89/1034537889.db2.gz HGGQQAHNRXWXFG-IBGZPJMESA-N 1 2 347.418 3.892 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C\c3ccco3)n2)C1 ZINC000255840811 1034541932 /nfs/dbraw/zinc/54/19/32/1034541932.db2.gz FHRASHNJULZIMF-FWWRYZNZSA-N 1 2 331.441 3.620 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C\c3ccco3)n2)C1 ZINC000255840811 1034541934 /nfs/dbraw/zinc/54/19/34/1034541934.db2.gz FHRASHNJULZIMF-FWWRYZNZSA-N 1 2 331.441 3.620 20 0 EHADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000375801454 1034556135 /nfs/dbraw/zinc/55/61/35/1034556135.db2.gz KJPJXYVAVGUTAL-RHSMWYFYSA-N 1 2 337.427 3.883 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1C ZINC000597143164 1034559090 /nfs/dbraw/zinc/55/90/90/1034559090.db2.gz DQCNKDUHAAYVEJ-GFCCVEGCSA-N 1 2 339.313 3.569 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669601388 1034561364 /nfs/dbraw/zinc/56/13/64/1034561364.db2.gz SNLLQSCMQNTUIA-MRXNPFEDSA-N 1 2 348.406 3.548 20 0 EHADLO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000604977710 1034566559 /nfs/dbraw/zinc/56/65/59/1034566559.db2.gz PNZKTPBRPKEWGE-CQSZACIVSA-N 1 2 347.256 3.782 20 0 EHADLO COCc1csc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000597158637 1034569573 /nfs/dbraw/zinc/56/95/73/1034569573.db2.gz DCHYZLHQXGQFGF-UHFFFAOYSA-N 1 2 325.474 3.591 20 0 EHADLO COCc1csc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000597158637 1034569585 /nfs/dbraw/zinc/56/95/85/1034569585.db2.gz DCHYZLHQXGQFGF-UHFFFAOYSA-N 1 2 325.474 3.591 20 0 EHADLO Cc1nc(CN2CCC[N@@H+]([C@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814089 1034606950 /nfs/dbraw/zinc/60/69/50/1034606950.db2.gz MFENUTZDFUBJHQ-CQSZACIVSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(CN2CCC[N@H+]([C@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814089 1034606958 /nfs/dbraw/zinc/60/69/58/1034606958.db2.gz MFENUTZDFUBJHQ-CQSZACIVSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(C[N@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814089 1034606967 /nfs/dbraw/zinc/60/69/67/1034606967.db2.gz MFENUTZDFUBJHQ-CQSZACIVSA-N 1 2 349.425 3.839 20 0 EHADLO Cc1nc(C[N@@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)oc1C ZINC000375814089 1034606975 /nfs/dbraw/zinc/60/69/75/1034606975.db2.gz MFENUTZDFUBJHQ-CQSZACIVSA-N 1 2 349.425 3.839 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](CC(C)(C)C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000450637988 1034625826 /nfs/dbraw/zinc/62/58/26/1034625826.db2.gz RQPJCOHMPAIIIP-OAHLLOKOSA-N 1 2 346.519 3.841 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000450648919 1034636362 /nfs/dbraw/zinc/63/63/62/1034636362.db2.gz ZBDRJXLFRYIYNV-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1Cl ZINC000450648919 1034636373 /nfs/dbraw/zinc/63/63/73/1034636373.db2.gz ZBDRJXLFRYIYNV-AWEZNQCLSA-N 1 2 346.862 3.724 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534526929 1034644730 /nfs/dbraw/zinc/64/47/30/1034644730.db2.gz OMEJWRFEPLQPIU-XBXARRHUSA-N 1 2 340.492 3.886 20 0 EHADLO O=C(CCc1cccnc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534553366 1034667428 /nfs/dbraw/zinc/66/74/28/1034667428.db2.gz QJEYSAJQGVFVFA-UHFFFAOYSA-N 1 2 344.418 3.568 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605392361 1034725960 /nfs/dbraw/zinc/72/59/60/1034725960.db2.gz BWSAEFVZILKZGM-VQIMIIECSA-N 1 2 325.456 3.830 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605392360 1034727419 /nfs/dbraw/zinc/72/74/19/1034727419.db2.gz BWSAEFVZILKZGM-QFBILLFUSA-N 1 2 325.456 3.830 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2occc2s1 ZINC000605459391 1034744329 /nfs/dbraw/zinc/74/43/29/1034744329.db2.gz VHFNIGYBTYHPSE-UHFFFAOYSA-N 1 2 341.367 3.749 20 0 EHADLO Cc1cc(C)c(C)c(OCCC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456828340 1034772803 /nfs/dbraw/zinc/77/28/03/1034772803.db2.gz BNPVTKFOPWXBQQ-UHFFFAOYSA-N 1 2 326.440 3.709 20 0 EHADLO CC(=O)c1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000450762154 1034782185 /nfs/dbraw/zinc/78/21/85/1034782185.db2.gz AGNQAHYSMHWEPF-OAHLLOKOSA-N 1 2 328.481 3.830 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCCOc2ccc(Cl)cc2)c[nH+]1 ZINC000456836690 1034782835 /nfs/dbraw/zinc/78/28/35/1034782835.db2.gz AVSUGDQFQSZBIK-UHFFFAOYSA-N 1 2 332.831 3.827 20 0 EHADLO CCC(=O)CCC[N@H+](CCOC)Cc1sccc1Br ZINC000450834459 1034842513 /nfs/dbraw/zinc/84/25/13/1034842513.db2.gz CXRRUMFWQXKICD-UHFFFAOYSA-N 1 2 348.306 3.718 20 0 EHADLO CCC(=O)CCC[N@@H+](CCOC)Cc1sccc1Br ZINC000450834459 1034842523 /nfs/dbraw/zinc/84/25/23/1034842523.db2.gz CXRRUMFWQXKICD-UHFFFAOYSA-N 1 2 348.306 3.718 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000450810497 1034819379 /nfs/dbraw/zinc/81/93/79/1034819379.db2.gz KQWIFMFGOZQSSY-PMPSAXMXSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@H](c1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813887 1034824316 /nfs/dbraw/zinc/82/43/16/1034824316.db2.gz XFEWIWRAPCFREK-IPQOISQHSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@H](c1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1)C(F)(F)F ZINC000450813887 1034824327 /nfs/dbraw/zinc/82/43/27/1034824327.db2.gz XFEWIWRAPCFREK-IPQOISQHSA-N 1 2 333.419 3.695 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530036831 1034889035 /nfs/dbraw/zinc/88/90/35/1034889035.db2.gz GECQJVIQZGVYDV-SUMWQHHRSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530036831 1034889043 /nfs/dbraw/zinc/88/90/43/1034889043.db2.gz GECQJVIQZGVYDV-SUMWQHHRSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000530038019 1034891716 /nfs/dbraw/zinc/89/17/16/1034891716.db2.gz JFKJDHGLDJDSBF-OAHLLOKOSA-N 1 2 326.444 3.556 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1ccccc1OC1CC1 ZINC000450880696 1034909511 /nfs/dbraw/zinc/90/95/11/1034909511.db2.gz LNURRGFPIGVPIS-UHFFFAOYSA-N 1 2 332.469 3.641 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1OC1CC1 ZINC000450880696 1034909517 /nfs/dbraw/zinc/90/95/17/1034909517.db2.gz LNURRGFPIGVPIS-UHFFFAOYSA-N 1 2 332.469 3.641 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885267 1034913488 /nfs/dbraw/zinc/91/34/88/1034913488.db2.gz AWCDYPWLTRTRNE-RHSMWYFYSA-N 1 2 337.389 3.899 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000450885267 1034913498 /nfs/dbraw/zinc/91/34/98/1034913498.db2.gz AWCDYPWLTRTRNE-RHSMWYFYSA-N 1 2 337.389 3.899 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1c(C)cccc1Cl ZINC000450932290 1034937200 /nfs/dbraw/zinc/93/72/00/1034937200.db2.gz CHPWCOSDWCQMIX-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1c(C)cccc1Cl ZINC000450932290 1034937207 /nfs/dbraw/zinc/93/72/07/1034937207.db2.gz CHPWCOSDWCQMIX-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO Cc1cc(C[N@H+]2CC[S@](=O)CC[C@H]2C)ccc1Oc1cccnc1 ZINC000375933294 1034957771 /nfs/dbraw/zinc/95/77/71/1034957771.db2.gz QQHIJLDHUSUHDC-VOIUYBSRSA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)ccc1Oc1cccnc1 ZINC000375933294 1034957776 /nfs/dbraw/zinc/95/77/76/1034957776.db2.gz QQHIJLDHUSUHDC-VOIUYBSRSA-N 1 2 344.480 3.525 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000375933532 1034958353 /nfs/dbraw/zinc/95/83/53/1034958353.db2.gz PDPJSKQTIKWPFA-CQSZACIVSA-N 1 2 343.858 3.511 20 0 EHADLO COc1cccc2c1CN(C[N@@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000530097791 1034958966 /nfs/dbraw/zinc/95/89/66/1034958966.db2.gz YGSPSZCDUWTNFF-HNNXBMFYSA-N 1 2 328.437 3.507 20 0 EHADLO COc1cccc2c1CN(C[N@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000530097791 1034958972 /nfs/dbraw/zinc/95/89/72/1034958972.db2.gz YGSPSZCDUWTNFF-HNNXBMFYSA-N 1 2 328.437 3.507 20 0 EHADLO Cc1nonc1[C@H](C)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000924550569 1035085072 /nfs/dbraw/zinc/08/50/72/1035085072.db2.gz GUGLUXGXZVXKPF-BLLLJJGKSA-N 1 2 334.851 3.519 20 0 EHADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C2CCCC2)cc1 ZINC000685790995 1035132899 /nfs/dbraw/zinc/13/28/99/1035132899.db2.gz WDRCOHDPACXKKQ-IBGZPJMESA-N 1 2 335.451 3.748 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Oc3ncccc3F)CC2)s1 ZINC000376042776 1035178987 /nfs/dbraw/zinc/17/89/87/1035178987.db2.gz FMDMIVICEFWCJH-UHFFFAOYSA-N 1 2 335.448 3.844 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccn3c(C)c[nH+]c3c1)[C@H]2C ZINC000570343855 1035201862 /nfs/dbraw/zinc/20/18/62/1035201862.db2.gz ROMXPPGAADHTJT-ZFWWWQNUSA-N 1 2 349.434 3.799 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000511374975 1035203397 /nfs/dbraw/zinc/20/33/97/1035203397.db2.gz CCQYCYCZOLDKBR-RCCFBDPRSA-N 1 2 329.488 3.996 20 0 EHADLO CCN(CCc1cccs1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376065315 1035210640 /nfs/dbraw/zinc/21/06/40/1035210640.db2.gz FGSUIFRBBUJFDW-AWEZNQCLSA-N 1 2 345.512 3.791 20 0 EHADLO CCN(CCc1cccs1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376065315 1035210646 /nfs/dbraw/zinc/21/06/46/1035210646.db2.gz FGSUIFRBBUJFDW-AWEZNQCLSA-N 1 2 345.512 3.791 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(Cl)s1)C2 ZINC000376067432 1035213522 /nfs/dbraw/zinc/21/35/22/1035213522.db2.gz LBVTZYKNSOOMRM-SNVBAGLBSA-N 1 2 337.876 3.669 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(Cl)s1)CC2 ZINC000376067432 1035213524 /nfs/dbraw/zinc/21/35/24/1035213524.db2.gz LBVTZYKNSOOMRM-SNVBAGLBSA-N 1 2 337.876 3.669 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000177587501 1035250588 /nfs/dbraw/zinc/25/05/88/1035250588.db2.gz ZJPRUGXASWZFRF-JTQLQIEISA-N 1 2 332.766 3.775 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000613105345 1035402774 /nfs/dbraw/zinc/40/27/74/1035402774.db2.gz YILGOCYUXPATAR-IPMKNSEASA-N 1 2 337.467 3.538 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc2n(n1)CCC2 ZINC000414072017 1035442550 /nfs/dbraw/zinc/44/25/50/1035442550.db2.gz MIKUNPGTQFROID-LBPRGKRZSA-N 1 2 339.361 3.621 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C1CCC1)C1CCC1)C2 ZINC000376234119 1035484388 /nfs/dbraw/zinc/48/43/88/1035484388.db2.gz BHJMWNKXALBPKT-OAHLLOKOSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C1CCC1)C1CCC1)CC2 ZINC000376234119 1035484391 /nfs/dbraw/zinc/48/43/91/1035484391.db2.gz BHJMWNKXALBPKT-OAHLLOKOSA-N 1 2 329.488 3.723 20 0 EHADLO O=C(/C=C/c1cscn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000492249088 1035527444 /nfs/dbraw/zinc/52/74/44/1035527444.db2.gz NPUBRNSPHSJSTQ-BQYQJAHWSA-N 1 2 348.431 3.710 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1nc(C(C)(C)C)cs1 ZINC000304956451 1035606336 /nfs/dbraw/zinc/60/63/36/1035606336.db2.gz ZLMVSSLOSAORHF-LBPRGKRZSA-N 1 2 344.484 3.631 20 0 EHADLO CCn1c(=O)c2ccccc2nc1SCc1ccc(C)[nH+]c1C ZINC000186376215 1035648492 /nfs/dbraw/zinc/64/84/92/1035648492.db2.gz BOKMCOOYQIQJSC-UHFFFAOYSA-N 1 2 325.437 3.721 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000186520648 1035654981 /nfs/dbraw/zinc/65/49/81/1035654981.db2.gz SEGDSXKFKUYBBP-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000186633360 1035676475 /nfs/dbraw/zinc/67/64/75/1035676475.db2.gz PRYRGMBWCLNYBT-KPZWWZAWSA-N 1 2 328.366 3.534 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000666163803 1035694250 /nfs/dbraw/zinc/69/42/50/1035694250.db2.gz SJHAZUJEWVPCOH-MAUKXSAKSA-N 1 2 344.434 3.766 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457127892 1035761649 /nfs/dbraw/zinc/76/16/49/1035761649.db2.gz QRYNRGMEWYZVCB-NVXWUHKLSA-N 1 2 345.874 3.849 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000571815273 1035765983 /nfs/dbraw/zinc/76/59/83/1035765983.db2.gz BXSOEDILNGPRSI-HOCLYGCPSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000571815273 1035766002 /nfs/dbraw/zinc/76/60/02/1035766002.db2.gz BXSOEDILNGPRSI-HOCLYGCPSA-N 1 2 341.398 3.686 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2csc(-c3ccco3)n2)c(C)[nH+]1 ZINC000187136030 1035767969 /nfs/dbraw/zinc/76/79/69/1035767969.db2.gz WWMZDMCGSBUABF-JOCHJYFZSA-N 1 2 332.450 3.864 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000187173674 1035778943 /nfs/dbraw/zinc/77/89/43/1035778943.db2.gz KOOSKENOLSOYOQ-NRFANRHFSA-N 1 2 334.388 3.623 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccoc1 ZINC000588169118 1035794195 /nfs/dbraw/zinc/79/41/95/1035794195.db2.gz YBVPDDGMBCWHIV-AWEZNQCLSA-N 1 2 334.847 3.975 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccoc1 ZINC000588169118 1035794209 /nfs/dbraw/zinc/79/42/09/1035794209.db2.gz YBVPDDGMBCWHIV-AWEZNQCLSA-N 1 2 334.847 3.975 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1nc2c(s1)CCC2 ZINC000414158235 1035810678 /nfs/dbraw/zinc/81/06/78/1035810678.db2.gz UEOIFGCSIWWOPH-RYUDHWBXSA-N 1 2 326.469 3.930 20 0 EHADLO O=C([C@@H]1CCCC2(CC2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424749 1035843200 /nfs/dbraw/zinc/84/32/00/1035843200.db2.gz RCTGILPRZCDIJH-GOSISDBHSA-N 1 2 329.488 3.872 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000613432855 1035864006 /nfs/dbraw/zinc/86/40/06/1035864006.db2.gz KFROBNQXNUORSO-LBPRGKRZSA-N 1 2 338.423 3.678 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000613432855 1035864023 /nfs/dbraw/zinc/86/40/23/1035864023.db2.gz KFROBNQXNUORSO-LBPRGKRZSA-N 1 2 338.423 3.678 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000613443335 1035877794 /nfs/dbraw/zinc/87/77/94/1035877794.db2.gz NSQCBCVEPOAHFZ-UHFFFAOYSA-N 1 2 344.430 3.740 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000613443335 1035877811 /nfs/dbraw/zinc/87/78/11/1035877811.db2.gz NSQCBCVEPOAHFZ-UHFFFAOYSA-N 1 2 344.430 3.740 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(C)Cc2ccccc2C)C2CC2)o1 ZINC000613443343 1035878517 /nfs/dbraw/zinc/87/85/17/1035878517.db2.gz OEOZXALZMKBQOP-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(C)Cc2ccccc2C)C2CC2)o1 ZINC000613443343 1035878542 /nfs/dbraw/zinc/87/85/42/1035878542.db2.gz OEOZXALZMKBQOP-UHFFFAOYSA-N 1 2 326.440 3.519 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000492491187 1035892448 /nfs/dbraw/zinc/89/24/48/1035892448.db2.gz JJBQYHPLFNQOEW-VOTSOKGWSA-N 1 2 327.428 3.517 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000613457303 1035917720 /nfs/dbraw/zinc/91/77/20/1035917720.db2.gz XXQNFEPECKKCSQ-YJBOKZPZSA-N 1 2 341.455 3.560 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000613457303 1035917732 /nfs/dbraw/zinc/91/77/32/1035917732.db2.gz XXQNFEPECKKCSQ-YJBOKZPZSA-N 1 2 341.455 3.560 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1conc1Cc1ccccc1)CCO2 ZINC000574932464 1035949387 /nfs/dbraw/zinc/94/93/87/1035949387.db2.gz OFEJXSVBBBQROH-UHFFFAOYSA-N 1 2 334.419 3.968 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1conc1Cc1ccccc1)CCO2 ZINC000574932464 1035949400 /nfs/dbraw/zinc/94/94/00/1035949400.db2.gz OFEJXSVBBBQROH-UHFFFAOYSA-N 1 2 334.419 3.968 20 0 EHADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3c(F)cccc3F)o1)C2 ZINC000535075875 1035998126 /nfs/dbraw/zinc/99/81/26/1035998126.db2.gz OANYVBMHJVGQCO-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3c(F)cccc3F)o1)C2 ZINC000535075875 1035998136 /nfs/dbraw/zinc/99/81/36/1035998136.db2.gz OANYVBMHJVGQCO-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccc(Oc2ccccc2)cc1 ZINC000170640547 1036029622 /nfs/dbraw/zinc/02/96/22/1036029622.db2.gz CHZOYDDYTWHMGR-UHFFFAOYSA-N 1 2 331.379 3.768 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccn(C)n1 ZINC000414201780 1036032297 /nfs/dbraw/zinc/03/22/97/1036032297.db2.gz YSIGKCHBGVHADW-YMTOWFKASA-N 1 2 338.224 3.660 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000457393099 1036057093 /nfs/dbraw/zinc/05/70/93/1036057093.db2.gz RYXPKZHLROSVEU-NADMHLTPSA-N 1 2 336.426 3.525 20 0 EHADLO CC(C)(C)C1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000457394867 1036059752 /nfs/dbraw/zinc/05/97/52/1036059752.db2.gz GFJIRMXNEHKEPJ-UHFFFAOYSA-N 1 2 330.472 3.530 20 0 EHADLO CC(=O)N1CCc2c1cccc2NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000572358654 1036086915 /nfs/dbraw/zinc/08/69/15/1036086915.db2.gz XXPKARHXSNDXPM-UHFFFAOYSA-N 1 2 338.411 3.560 20 0 EHADLO C[C@@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000541219416 1036099352 /nfs/dbraw/zinc/09/93/52/1036099352.db2.gz MKGQFJYFFAPVRZ-KRWDZBQOSA-N 1 2 348.450 3.865 20 0 EHADLO CC(C)c1cccc(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000457448579 1036139789 /nfs/dbraw/zinc/13/97/89/1036139789.db2.gz SPYCFKZYISLNDO-UHFFFAOYSA-N 1 2 347.462 3.914 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000457452267 1036144493 /nfs/dbraw/zinc/14/44/93/1036144493.db2.gz VXTPRLAIHJZJML-UHFFFAOYSA-N 1 2 325.456 3.620 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000414230618 1036177844 /nfs/dbraw/zinc/17/78/44/1036177844.db2.gz BBDZPWSBWTWUSG-GFCCVEGCSA-N 1 2 327.737 3.926 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)c(C)c1 ZINC000547606857 1036180846 /nfs/dbraw/zinc/18/08/46/1036180846.db2.gz KPELUJXJFIVBMP-IBGZPJMESA-N 1 2 339.414 3.755 20 0 EHADLO Fc1cccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC000175037908 1036216145 /nfs/dbraw/zinc/21/61/45/1036216145.db2.gz QPRJWDHBPWWGAB-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000535239453 1036223223 /nfs/dbraw/zinc/22/32/23/1036223223.db2.gz XYSSQXYDRAHTFM-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO c1csc(-c2nc(CN3CC[NH+](Cc4ccsc4)CC3)co2)c1 ZINC000535254197 1036266273 /nfs/dbraw/zinc/26/62/73/1036266273.db2.gz FBXUGTHMIGKBKO-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO CCC[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535256801 1036273369 /nfs/dbraw/zinc/27/33/69/1036273369.db2.gz SIXPKRGHMWFNLG-LJQANCHMSA-N 1 2 342.508 3.976 20 0 EHADLO CC[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000414253719 1036288102 /nfs/dbraw/zinc/28/81/02/1036288102.db2.gz JPUQPQTZUPYAEP-ZWNOBZJWSA-N 1 2 330.329 3.601 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984282 1036313449 /nfs/dbraw/zinc/31/34/49/1036313449.db2.gz LACIITZKLNOYKV-OALUTQOASA-N 1 2 331.456 3.647 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000190984282 1036313467 /nfs/dbraw/zinc/31/34/67/1036313467.db2.gz LACIITZKLNOYKV-OALUTQOASA-N 1 2 331.456 3.647 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000457635874 1036337567 /nfs/dbraw/zinc/33/75/67/1036337567.db2.gz BBBLEJLHKIWGGC-LPHOPBHVSA-N 1 2 325.456 3.659 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1SC(F)F ZINC000056564633 1036355317 /nfs/dbraw/zinc/35/53/17/1036355317.db2.gz XJYAKFAAVFKRJI-UHFFFAOYSA-N 1 2 340.399 3.800 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000175455626 1036370381 /nfs/dbraw/zinc/37/03/81/1036370381.db2.gz MOACDYRSXCZDJK-JKSUJKDBSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@@H+](C[C@@H]3CCCCO3)CCO2)c1 ZINC000175455626 1036370397 /nfs/dbraw/zinc/37/03/97/1036370397.db2.gz MOACDYRSXCZDJK-JKSUJKDBSA-N 1 2 329.362 3.648 20 0 EHADLO CC[C@H](C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000414269485 1036377222 /nfs/dbraw/zinc/37/72/22/1036377222.db2.gz UYOBWDVWUYSELD-IINYFYTJSA-N 1 2 330.329 3.601 20 0 EHADLO Cc1cccn2cc(Cc3noc(CC4(C(F)(F)F)CC4)n3)[nH+]c12 ZINC000572523315 1036401291 /nfs/dbraw/zinc/40/12/91/1036401291.db2.gz DFLBIPWSFQAWIP-UHFFFAOYSA-N 1 2 336.317 3.502 20 0 EHADLO NC(=O)c1csc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191781471 1036429756 /nfs/dbraw/zinc/42/97/56/1036429756.db2.gz KJLLOIQRKJIFCT-UHFFFAOYSA-N 1 2 342.386 3.802 20 0 EHADLO NC(=O)c1csc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191781471 1036429763 /nfs/dbraw/zinc/42/97/63/1036429763.db2.gz KJLLOIQRKJIFCT-UHFFFAOYSA-N 1 2 342.386 3.802 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000191901309 1036441756 /nfs/dbraw/zinc/44/17/56/1036441756.db2.gz QRSRKZRNIDTPEX-QRWLVFNGSA-N 1 2 345.450 3.717 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000191901309 1036441771 /nfs/dbraw/zinc/44/17/71/1036441771.db2.gz QRSRKZRNIDTPEX-QRWLVFNGSA-N 1 2 345.450 3.717 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncccn2)ccc1OCc1ccccc1 ZINC000192151121 1036478176 /nfs/dbraw/zinc/47/81/76/1036478176.db2.gz DPVGYYQAGJBOBQ-INIZCTEOSA-N 1 2 349.434 3.915 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCc1ccncc1 ZINC000192142064 1036478436 /nfs/dbraw/zinc/47/84/36/1036478436.db2.gz GFDOCYXZWVYOGY-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCc1ccncc1 ZINC000192142064 1036478443 /nfs/dbraw/zinc/47/84/43/1036478443.db2.gz GFDOCYXZWVYOGY-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO Cc1cc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)nc(C(C)C)[nH+]1 ZINC000541595651 1036480355 /nfs/dbraw/zinc/48/03/55/1036480355.db2.gz VSKCCXDZUFBZOS-SJORKVTESA-N 1 2 329.419 3.802 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1F ZINC000175858539 1036495975 /nfs/dbraw/zinc/49/59/75/1036495975.db2.gz GLDZFEYIEQJOHJ-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO COCc1nc(C[NH+]2CCC(c3cccc(F)c3F)CC2)cs1 ZINC000572782809 1036496404 /nfs/dbraw/zinc/49/64/04/1036496404.db2.gz RVJPPOHWUBLJHL-UHFFFAOYSA-N 1 2 338.423 3.947 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457781909 1036500168 /nfs/dbraw/zinc/50/01/68/1036500168.db2.gz UYJSFPMWUJDUHE-KGLIPLIRSA-N 1 2 339.430 3.607 20 0 EHADLO CCCCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174740066 1036504448 /nfs/dbraw/zinc/50/44/48/1036504448.db2.gz PFFGILISTLOSEM-UHFFFAOYSA-N 1 2 346.519 3.910 20 0 EHADLO CC[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000541626785 1036515857 /nfs/dbraw/zinc/51/58/57/1036515857.db2.gz OSZCEORTKSEEHT-ZDUSSCGKSA-N 1 2 347.875 3.677 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2cccc(C(C)C)c2)o1 ZINC000541629247 1036518374 /nfs/dbraw/zinc/51/83/74/1036518374.db2.gz RJTURDRCCCTRAF-GOSISDBHSA-N 1 2 344.455 3.881 20 0 EHADLO CCCc1nc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)co1 ZINC000572900184 1036530940 /nfs/dbraw/zinc/53/09/40/1036530940.db2.gz XUCLBPCBJAUGEK-HNNXBMFYSA-N 1 2 346.818 3.982 20 0 EHADLO CCCC[C@H](CCC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000175984096 1036543927 /nfs/dbraw/zinc/54/39/27/1036543927.db2.gz GYYVYZVGXJMTLX-MJGOQNOKSA-N 1 2 346.519 3.829 20 0 EHADLO CC(C)Sc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000192774441 1036548408 /nfs/dbraw/zinc/54/84/08/1036548408.db2.gz VMCXGIMKRJITTK-UHFFFAOYSA-N 1 2 347.509 3.884 20 0 EHADLO CC(C)Sc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000192774441 1036548415 /nfs/dbraw/zinc/54/84/15/1036548415.db2.gz VMCXGIMKRJITTK-UHFFFAOYSA-N 1 2 347.509 3.884 20 0 EHADLO Cc1ccc(SC2CCCC2)c(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000457851137 1036554302 /nfs/dbraw/zinc/55/43/02/1036554302.db2.gz HSTCZDOUPUOXJX-UHFFFAOYSA-N 1 2 343.496 3.736 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000584509467 1036573367 /nfs/dbraw/zinc/57/33/67/1036573367.db2.gz RKYLIEMZFSYDED-KRWDZBQOSA-N 1 2 326.444 3.633 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]Cc1c(C)ccc2ccccc21)C1CCOCC1 ZINC000541700978 1036578418 /nfs/dbraw/zinc/57/84/18/1036578418.db2.gz IAGZICDUBRBEFV-FQEVSTJZSA-N 1 2 341.451 3.596 20 0 EHADLO CCc1nc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)cs1 ZINC000170959972 1036578590 /nfs/dbraw/zinc/57/85/90/1036578590.db2.gz CSGIPMNFLHCKFX-UHFFFAOYSA-N 1 2 339.505 3.537 20 0 EHADLO O[C@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)C(F)F ZINC000493057558 1036593699 /nfs/dbraw/zinc/59/36/99/1036593699.db2.gz LRTVBUBGEDQIPG-CABCVRRESA-N 1 2 347.739 3.923 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000464676167 1036651047 /nfs/dbraw/zinc/65/10/47/1036651047.db2.gz FVCNBCHJARXFQC-PXNSSMCTSA-N 1 2 343.492 3.852 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000464676167 1036651063 /nfs/dbraw/zinc/65/10/63/1036651063.db2.gz FVCNBCHJARXFQC-PXNSSMCTSA-N 1 2 343.492 3.852 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC1 ZINC000532406441 1036685799 /nfs/dbraw/zinc/68/57/99/1036685799.db2.gz KZQIHHRZUAWKOA-UHFFFAOYSA-N 1 2 344.499 3.839 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC1 ZINC000532406441 1036685813 /nfs/dbraw/zinc/68/58/13/1036685813.db2.gz KZQIHHRZUAWKOA-UHFFFAOYSA-N 1 2 344.499 3.839 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CCS2 ZINC000414325409 1036689556 /nfs/dbraw/zinc/68/95/56/1036689556.db2.gz MCJOUJRPJWHBBO-ZDUSSCGKSA-N 1 2 333.482 3.751 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725722 1036705896 /nfs/dbraw/zinc/70/58/96/1036705896.db2.gz OXUMYORDEIUJGO-WBMJQRKESA-N 1 2 347.821 3.896 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725722 1036705910 /nfs/dbraw/zinc/70/59/10/1036705910.db2.gz OXUMYORDEIUJGO-WBMJQRKESA-N 1 2 347.821 3.896 20 0 EHADLO CO[C@@H](C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066471 1036712291 /nfs/dbraw/zinc/71/22/91/1036712291.db2.gz YVGXYLDHTLMSKR-OALUTQOASA-N 1 2 348.450 3.996 20 0 EHADLO CO[C@@H](C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000549066471 1036712309 /nfs/dbraw/zinc/71/23/09/1036712309.db2.gz YVGXYLDHTLMSKR-OALUTQOASA-N 1 2 348.450 3.996 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000535590594 1036713783 /nfs/dbraw/zinc/71/37/83/1036713783.db2.gz BQQZRCXOHPTRMB-MRXNPFEDSA-N 1 2 346.519 3.629 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885293 1036719156 /nfs/dbraw/zinc/71/91/56/1036719156.db2.gz HJYVZLZIOHUBNC-GOSISDBHSA-N 1 2 340.471 3.546 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000541870732 1036737662 /nfs/dbraw/zinc/73/76/62/1036737662.db2.gz KULZNTKQAFYJCD-VYENPZKTSA-N 1 2 338.455 3.551 20 0 EHADLO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000541882025 1036760359 /nfs/dbraw/zinc/76/03/59/1036760359.db2.gz GITSYHIIYFROHD-LBPRGKRZSA-N 1 2 347.488 3.571 20 0 EHADLO Cc1occc1C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000666295408 1036770635 /nfs/dbraw/zinc/77/06/35/1036770635.db2.gz LKJDMAMXBLFUJW-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO CSCc1cnc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)s1 ZINC000590185709 1036790384 /nfs/dbraw/zinc/79/03/84/1036790384.db2.gz WEMOAWLAARJBRY-UHFFFAOYSA-N 1 2 335.498 3.513 20 0 EHADLO COc1ccc(C2([NH2+]Cc3cc(O)ccc3Br)CC2)cc1 ZINC000539494336 1036799210 /nfs/dbraw/zinc/79/92/10/1036799210.db2.gz FOHYXIAUADPDFC-UHFFFAOYSA-N 1 2 348.240 3.942 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000590280336 1036820937 /nfs/dbraw/zinc/82/09/37/1036820937.db2.gz NHDWYLJNMCHJQH-INIZCTEOSA-N 1 2 333.435 3.968 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)N(Cc1cc(OC)cc(C)[nH+]1)[C@H]2C ZINC000541922158 1036823925 /nfs/dbraw/zinc/82/39/25/1036823925.db2.gz PPIRFLRGACEBJR-GJZGRUSLSA-N 1 2 326.440 3.915 20 0 EHADLO CCc1ccccc1C[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001168183718 1036829058 /nfs/dbraw/zinc/82/90/58/1036829058.db2.gz FPYDPWVTQPSMDH-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO CCc1ccccc1C[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001168183718 1036829079 /nfs/dbraw/zinc/82/90/79/1036829079.db2.gz FPYDPWVTQPSMDH-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1O ZINC000302933728 1036872987 /nfs/dbraw/zinc/87/29/87/1036872987.db2.gz GVCWSXDEAAVLFK-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1O ZINC000302933728 1036872997 /nfs/dbraw/zinc/87/29/97/1036872997.db2.gz GVCWSXDEAAVLFK-GFCCVEGCSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(N(C)C)[nH+]1 ZINC000162422988 1036897698 /nfs/dbraw/zinc/89/76/98/1036897698.db2.gz MWMSKIVMGBNPHT-KRWDZBQOSA-N 1 2 342.418 3.964 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)s1 ZINC000892631909 1036951350 /nfs/dbraw/zinc/95/13/50/1036951350.db2.gz IXDBUHOIZCDEBU-UHFFFAOYSA-N 1 2 344.484 3.519 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000590603221 1036965454 /nfs/dbraw/zinc/96/54/54/1036965454.db2.gz TWZUHVTZLPYUQX-MRXNPFEDSA-N 1 2 345.443 3.914 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000590603221 1036965468 /nfs/dbraw/zinc/96/54/68/1036965468.db2.gz TWZUHVTZLPYUQX-MRXNPFEDSA-N 1 2 345.443 3.914 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(C(C)(C)C)n3)[nH+]c12 ZINC000176511512 1037028060 /nfs/dbraw/zinc/02/80/60/1037028060.db2.gz ONPZMXXBXJFGKG-HSZRJFAPSA-N 1 2 347.509 3.846 20 0 EHADLO CC1(C)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000170872764 1037040688 /nfs/dbraw/zinc/04/06/88/1037040688.db2.gz HUJIXZQCVHFTMS-UHFFFAOYSA-N 1 2 329.425 3.619 20 0 EHADLO CC1(C)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000170872764 1037040705 /nfs/dbraw/zinc/04/07/05/1037040705.db2.gz HUJIXZQCVHFTMS-UHFFFAOYSA-N 1 2 329.425 3.619 20 0 EHADLO c1cc(-c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)o2)n[nH]1 ZINC000376469722 1037057460 /nfs/dbraw/zinc/05/74/60/1037057460.db2.gz URTZNIAPOFHRLA-FQEVSTJZSA-N 1 2 330.391 3.944 20 0 EHADLO Cc1nc2sc3c(c2c(N2CCC[C@@H](n4cc[nH+]c4)C2)n1)CCC3 ZINC000590770606 1037072336 /nfs/dbraw/zinc/07/23/36/1037072336.db2.gz ZNKQSCDZLMMSNF-CYBMUJFWSA-N 1 2 339.468 3.526 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccc(F)cc2)c1C ZINC000491279724 1037087410 /nfs/dbraw/zinc/08/74/10/1037087410.db2.gz QANGHDWPSJGTHG-YFHOEESVSA-N 1 2 328.387 3.518 20 0 EHADLO COc1cc(C)nc(CNc2[nH+]c3ccccc3n2C2CCCC2)c1 ZINC000539710576 1037100234 /nfs/dbraw/zinc/10/02/34/1037100234.db2.gz UNFYNIPQWGQCMV-UHFFFAOYSA-N 1 2 336.439 3.897 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000761543299 1037116057 /nfs/dbraw/zinc/11/60/57/1037116057.db2.gz GXVUJQNLVSUQSN-LJQANCHMSA-N 1 2 348.402 3.733 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168456832 1037117861 /nfs/dbraw/zinc/11/78/61/1037117861.db2.gz WYXDOJLWXDREPU-DNVCBOLYSA-N 1 2 329.415 3.521 20 0 EHADLO COCCc1noc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000590930403 1037126976 /nfs/dbraw/zinc/12/69/76/1037126976.db2.gz CVXADMZOPQDBAY-UHFFFAOYSA-N 1 2 349.434 3.701 20 0 EHADLO COCCc1noc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000590930403 1037126987 /nfs/dbraw/zinc/12/69/87/1037126987.db2.gz CVXADMZOPQDBAY-UHFFFAOYSA-N 1 2 349.434 3.701 20 0 EHADLO CN(C)c1[nH+]cc(CN[C@@H](c2ccccc2)c2cccc(F)c2)n1C ZINC000414378757 1037141868 /nfs/dbraw/zinc/14/18/68/1037141868.db2.gz LJRHATATSSTWRE-IBGZPJMESA-N 1 2 338.430 3.504 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655748610 1037150971 /nfs/dbraw/zinc/15/09/71/1037150971.db2.gz DJZAEVZLYZSNHH-UHFFFAOYSA-N 1 2 349.482 3.818 20 0 EHADLO CCC(CC)(CC)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573049860 1037169206 /nfs/dbraw/zinc/16/92/06/1037169206.db2.gz CIBNTUOBOJHGHI-UHFFFAOYSA-N 1 2 327.472 3.807 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(Br)c1 ZINC000591083315 1037215756 /nfs/dbraw/zinc/21/57/56/1037215756.db2.gz DBFGHYJXYHTCGP-STQMWFEESA-N 1 2 339.277 3.959 20 0 EHADLO CC(C)c1cccc(OCC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000591091954 1037217301 /nfs/dbraw/zinc/21/73/01/1037217301.db2.gz VAMYQVJGUUFZCQ-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493288464 1037222616 /nfs/dbraw/zinc/22/26/16/1037222616.db2.gz NPRGRDZDXOOOQU-SREVYHEPSA-N 1 2 337.345 3.879 20 0 EHADLO CC(C)(C)[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000542271123 1037250319 /nfs/dbraw/zinc/25/03/19/1037250319.db2.gz INDYFWJOROJFSB-SFHVURJKSA-N 1 2 340.471 3.509 20 0 EHADLO Cc1oc(C)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1C ZINC000591250208 1037269722 /nfs/dbraw/zinc/26/97/22/1037269722.db2.gz MABYWAFEEBQCJW-CQSZACIVSA-N 1 2 342.439 3.850 20 0 EHADLO CCCCCN(Cc1ccc(Cl)cc1)C(=O)NCc1c[nH+]cn1C ZINC000360288985 1037269780 /nfs/dbraw/zinc/26/97/80/1037269780.db2.gz IQBVULAWFYIOIJ-UHFFFAOYSA-N 1 2 348.878 3.976 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC001167706121 1037275527 /nfs/dbraw/zinc/27/55/27/1037275527.db2.gz QMLZXZBGRHHODH-SFHVURJKSA-N 1 2 347.890 3.860 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC001167706121 1037275540 /nfs/dbraw/zinc/27/55/40/1037275540.db2.gz QMLZXZBGRHHODH-SFHVURJKSA-N 1 2 347.890 3.860 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)cc2)s1 ZINC000591241175 1037283506 /nfs/dbraw/zinc/28/35/06/1037283506.db2.gz HZKUPUKXIWDZRE-GFCCVEGCSA-N 1 2 348.468 3.958 20 0 EHADLO CCS[C@H](C)c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000532459192 1037346479 /nfs/dbraw/zinc/34/64/79/1037346479.db2.gz QIKKSOWIHJGXPH-GFCCVEGCSA-N 1 2 330.413 3.648 20 0 EHADLO C[C@H](CCNC(=O)/C=C/c1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000493446631 1037348965 /nfs/dbraw/zinc/34/89/65/1037348965.db2.gz CVPHSUJTASSVRA-BTDICHCPSA-N 1 2 337.345 3.752 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401181 1037373129 /nfs/dbraw/zinc/37/31/29/1037373129.db2.gz VSIWMVOZXCKLIG-CZUORRHYSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401181 1037373141 /nfs/dbraw/zinc/37/31/41/1037373141.db2.gz VSIWMVOZXCKLIG-CZUORRHYSA-N 1 2 335.494 3.530 20 0 EHADLO Fc1ccc2ccc(NCc3cc[nH+]c(N4CCCCC4)c3)nc2c1 ZINC000462775812 1037377729 /nfs/dbraw/zinc/37/77/29/1037377729.db2.gz IMSGFKQMWNWYQO-UHFFFAOYSA-N 1 2 336.414 3.793 20 0 EHADLO COc1cccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)cs2)c1 ZINC000007049160 1037388926 /nfs/dbraw/zinc/38/89/26/1037388926.db2.gz MDTLWZVMRKTIFM-UHFFFAOYSA-N 1 2 344.465 3.792 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303438321 1037407912 /nfs/dbraw/zinc/40/79/12/1037407912.db2.gz AGUHVYFZIQYSFD-KZULUSFZSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303438321 1037407918 /nfs/dbraw/zinc/40/79/18/1037407918.db2.gz AGUHVYFZIQYSFD-KZULUSFZSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@@]1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCCS1 ZINC000301651545 1037422060 /nfs/dbraw/zinc/42/20/60/1037422060.db2.gz SKFRFPQZVHYXCR-KRWDZBQOSA-N 1 2 325.441 3.513 20 0 EHADLO O=C(C[NH2+][C@H](CF)c1ccc(F)cc1)N1CCSc2ccccc21 ZINC000640151937 1037429993 /nfs/dbraw/zinc/42/99/93/1037429993.db2.gz AJPXWPLSVIKQKK-OAHLLOKOSA-N 1 2 348.418 3.565 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cc(C)ccc2C)c1C ZINC000171100135 1037453060 /nfs/dbraw/zinc/45/30/60/1037453060.db2.gz LWKKBGNPXUIZMY-UHFFFAOYSA-N 1 2 326.440 3.525 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000053577269 1037453327 /nfs/dbraw/zinc/45/33/27/1037453327.db2.gz TXBQFDWEFQNPGV-UHFFFAOYSA-N 1 2 347.344 3.551 20 0 EHADLO CCC(=O)c1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000152657755 1037466437 /nfs/dbraw/zinc/46/64/37/1037466437.db2.gz UPYIEMVGTZOELU-UHFFFAOYSA-N 1 2 341.411 3.621 20 0 EHADLO Cc1oc2nc(C[N@@H+](Cc3cccc(F)c3)C(C)C)nc(N)c2c1C ZINC000493573142 1037489553 /nfs/dbraw/zinc/48/95/53/1037489553.db2.gz NTGKILQYVDGYLY-UHFFFAOYSA-N 1 2 342.418 3.972 20 0 EHADLO Cc1oc2nc(C[N@H+](Cc3cccc(F)c3)C(C)C)nc(N)c2c1C ZINC000493573142 1037489566 /nfs/dbraw/zinc/48/95/66/1037489566.db2.gz NTGKILQYVDGYLY-UHFFFAOYSA-N 1 2 342.418 3.972 20 0 EHADLO Cc1ccc(OCCCC(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000532494639 1037541622 /nfs/dbraw/zinc/54/16/22/1037541622.db2.gz QDCJZBORJDURKA-UHFFFAOYSA-N 1 2 349.862 3.601 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000591781528 1037598551 /nfs/dbraw/zinc/59/85/51/1037598551.db2.gz RRPIDENOMTXLPJ-UHFFFAOYSA-N 1 2 347.287 3.956 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000540148488 1037607026 /nfs/dbraw/zinc/60/70/26/1037607026.db2.gz QCYKRCQBJDXHSE-ADLMAVQZSA-N 1 2 340.377 3.773 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000540148488 1037607030 /nfs/dbraw/zinc/60/70/30/1037607030.db2.gz QCYKRCQBJDXHSE-ADLMAVQZSA-N 1 2 340.377 3.773 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914308398 1037610745 /nfs/dbraw/zinc/61/07/45/1037610745.db2.gz QDYWIVZDRLWRHD-GOSISDBHSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1cccc(F)c1)C1CCC1 ZINC000914308175 1037611557 /nfs/dbraw/zinc/61/15/57/1037611557.db2.gz NVYCVAQIQUDWEY-UHFFFAOYSA-N 1 2 344.434 3.567 20 0 EHADLO CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000591824271 1037636927 /nfs/dbraw/zinc/63/69/27/1037636927.db2.gz MOTHAUCLLDPCEF-INIZCTEOSA-N 1 2 332.492 3.696 20 0 EHADLO FC(F)(F)Cc1noc(-c2cccc(CNc3cccc[nH+]3)c2)n1 ZINC000377998074 1037638430 /nfs/dbraw/zinc/63/84/30/1037638430.db2.gz ZIWWBBGRCVYSHA-UHFFFAOYSA-N 1 2 334.301 3.849 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)c1ccsc1 ZINC000669861085 1037644597 /nfs/dbraw/zinc/64/45/97/1037644597.db2.gz YWIOQMIPIQGGHH-SECBINFHSA-N 1 2 335.379 3.562 20 0 EHADLO CC(C)(C)SCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC001168214854 1037674292 /nfs/dbraw/zinc/67/42/92/1037674292.db2.gz JHYAXRHUUWVYID-KRWDZBQOSA-N 1 2 335.513 3.882 20 0 EHADLO CC(C)(C)SCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC001168214854 1037674303 /nfs/dbraw/zinc/67/43/03/1037674303.db2.gz JHYAXRHUUWVYID-KRWDZBQOSA-N 1 2 335.513 3.882 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCCC2(CC2)C1 ZINC000666640672 1037734854 /nfs/dbraw/zinc/73/48/54/1037734854.db2.gz QGJXMHOAZMNWAV-QGZVFWFLSA-N 1 2 327.472 3.659 20 0 EHADLO Cc1cc(N[C@@H]2COc3c2ccc(Cl)c3Cl)nc(C2CC2)[nH+]1 ZINC000463078895 1037748071 /nfs/dbraw/zinc/74/80/71/1037748071.db2.gz UWBLUUCMJQMHSQ-GFCCVEGCSA-N 1 2 336.222 3.937 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780771 1037766126 /nfs/dbraw/zinc/76/61/26/1037766126.db2.gz ZVFRSPYUCXEYFP-HZPDHXFCSA-N 1 2 326.444 3.566 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780771 1037766148 /nfs/dbraw/zinc/76/61/48/1037766148.db2.gz ZVFRSPYUCXEYFP-HZPDHXFCSA-N 1 2 326.444 3.566 20 0 EHADLO Cc1cc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000591986480 1037778327 /nfs/dbraw/zinc/77/83/27/1037778327.db2.gz CPNZFZFWTZOPNB-UHFFFAOYSA-N 1 2 331.460 3.611 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378068747 1037802473 /nfs/dbraw/zinc/80/24/73/1037802473.db2.gz ABTIPZLJFHTJRQ-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378068747 1037802495 /nfs/dbraw/zinc/80/24/95/1037802495.db2.gz ABTIPZLJFHTJRQ-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000494090057 1037814090 /nfs/dbraw/zinc/81/40/90/1037814090.db2.gz PLFAKQQGDHCFFD-CYBMUJFWSA-N 1 2 347.509 3.576 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CCS1 ZINC000494090057 1037814109 /nfs/dbraw/zinc/81/41/09/1037814109.db2.gz PLFAKQQGDHCFFD-CYBMUJFWSA-N 1 2 347.509 3.576 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494096678 1037817094 /nfs/dbraw/zinc/81/70/94/1037817094.db2.gz NXGZNMLQERKOME-JKSUJKDBSA-N 1 2 338.442 3.899 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494096678 1037817100 /nfs/dbraw/zinc/81/71/00/1037817100.db2.gz NXGZNMLQERKOME-JKSUJKDBSA-N 1 2 338.442 3.899 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096370 1037818395 /nfs/dbraw/zinc/81/83/95/1037818395.db2.gz JRKWPRDAFLLRIY-UTMVYBGDSA-N 1 2 348.437 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096370 1037818408 /nfs/dbraw/zinc/81/84/08/1037818408.db2.gz JRKWPRDAFLLRIY-UTMVYBGDSA-N 1 2 348.437 3.653 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187885068 1037835870 /nfs/dbraw/zinc/83/58/70/1037835870.db2.gz XJGAKHXIWOZMQE-INIZCTEOSA-N 1 2 343.826 3.586 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187885068 1037835892 /nfs/dbraw/zinc/83/58/92/1037835892.db2.gz XJGAKHXIWOZMQE-INIZCTEOSA-N 1 2 343.826 3.586 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)nc2ccccc12 ZINC000542472688 1037841233 /nfs/dbraw/zinc/84/12/33/1037841233.db2.gz OYFDOZJOCUKTBB-MRXNPFEDSA-N 1 2 332.407 3.501 20 0 EHADLO O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081475 1037856631 /nfs/dbraw/zinc/85/66/31/1037856631.db2.gz YMSHSAWJNDACAA-HOTGVXAUSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081475 1037856652 /nfs/dbraw/zinc/85/66/52/1037856652.db2.gz YMSHSAWJNDACAA-HOTGVXAUSA-N 1 2 329.831 3.573 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000117748871 1037860945 /nfs/dbraw/zinc/86/09/45/1037860945.db2.gz DYOZDAJQQMPCBV-HXUWFJFHSA-N 1 2 331.419 3.720 20 0 EHADLO C[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000187919550 1037864306 /nfs/dbraw/zinc/86/43/06/1037864306.db2.gz FSSPUCWVZQROEN-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO C[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000187919550 1037864324 /nfs/dbraw/zinc/86/43/24/1037864324.db2.gz FSSPUCWVZQROEN-GFCCVEGCSA-N 1 2 325.250 3.510 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000119516656 1037905561 /nfs/dbraw/zinc/90/55/61/1037905561.db2.gz QERZBUNDUPDPBC-PXAZEXFGSA-N 1 2 347.409 3.627 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000120289870 1037928807 /nfs/dbraw/zinc/92/88/07/1037928807.db2.gz YIBMPTLVIRPSLZ-INIZCTEOSA-N 1 2 345.512 3.594 20 0 EHADLO Cc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC000179944129 1037976360 /nfs/dbraw/zinc/97/63/60/1037976360.db2.gz WHYVTASBZVXNCD-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(C(=O)OC(C)(C)C)cn2)c(C)[nH+]1 ZINC000592577524 1038056174 /nfs/dbraw/zinc/05/61/74/1038056174.db2.gz RYWOEQUINVFKBW-UHFFFAOYSA-N 1 2 341.411 3.609 20 0 EHADLO Cn1c2ccccc2nc1CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463354566 1038065056 /nfs/dbraw/zinc/06/50/56/1038065056.db2.gz KPSHHAZEHJHEMT-UHFFFAOYSA-N 1 2 330.435 3.586 20 0 EHADLO Cn1c2ccccc2nc1CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463354566 1038065079 /nfs/dbraw/zinc/06/50/79/1038065079.db2.gz KPSHHAZEHJHEMT-UHFFFAOYSA-N 1 2 330.435 3.586 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000123916317 1038103589 /nfs/dbraw/zinc/10/35/89/1038103589.db2.gz LPCNQBILCFLJOA-LJQANCHMSA-N 1 2 341.455 3.616 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3C)cn2c1 ZINC000043077316 1038277736 /nfs/dbraw/zinc/27/77/36/1038277736.db2.gz LGHCFGPQHHZRNW-UHFFFAOYSA-N 1 2 339.464 3.501 20 0 EHADLO CC(C)[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000651346096 1038279912 /nfs/dbraw/zinc/27/99/12/1038279912.db2.gz HJBBBZRESDCKRK-IBGZPJMESA-N 1 2 345.874 3.929 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccccc3)cn2c1 ZINC000043507499 1038332417 /nfs/dbraw/zinc/33/24/17/1038332417.db2.gz FNICENOWZGYABE-OAHLLOKOSA-N 1 2 339.464 3.753 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(C)CCCCCC1 ZINC000181121192 1038343373 /nfs/dbraw/zinc/34/33/73/1038343373.db2.gz ZQJTYYBAOXQPIC-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000378275852 1038348300 /nfs/dbraw/zinc/34/83/00/1038348300.db2.gz IBDCEFAJLJDGAW-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCCC2 ZINC000538509364 1038348840 /nfs/dbraw/zinc/34/88/40/1038348840.db2.gz OYGYDFGNPQLPSW-WOJBJXKFSA-N 1 2 344.499 3.981 20 0 EHADLO CCC[N@H+](Cc1ccccc1Br)C[C@H](O)C(F)(F)F ZINC000461403643 1038399042 /nfs/dbraw/zinc/39/90/42/1038399042.db2.gz SRCWKKQKBQLXMZ-LBPRGKRZSA-N 1 2 340.183 3.584 20 0 EHADLO CCC[N@@H+](Cc1ccccc1Br)C[C@H](O)C(F)(F)F ZINC000461403643 1038399029 /nfs/dbraw/zinc/39/90/29/1038399029.db2.gz SRCWKKQKBQLXMZ-LBPRGKRZSA-N 1 2 340.183 3.584 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)c(C)[nH+]1 ZINC000667119128 1038442570 /nfs/dbraw/zinc/44/25/70/1038442570.db2.gz JTXNZKQDSHGRKX-KRWDZBQOSA-N 1 2 331.460 3.820 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(F)cc3OC(C)C)[nH+]c12 ZINC000538712933 1038484534 /nfs/dbraw/zinc/48/45/34/1038484534.db2.gz FOAVMZKQNHXEAA-UHFFFAOYSA-N 1 2 341.386 3.750 20 0 EHADLO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)n1 ZINC000538717633 1038487528 /nfs/dbraw/zinc/48/75/28/1038487528.db2.gz ODXUYIXAERUWAY-APWZRJJASA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)n1 ZINC000538717633 1038487532 /nfs/dbraw/zinc/48/75/32/1038487532.db2.gz ODXUYIXAERUWAY-APWZRJJASA-N 1 2 326.440 3.751 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)no1 ZINC000378351871 1038510828 /nfs/dbraw/zinc/51/08/28/1038510828.db2.gz UORQMGLJCIRGHG-LBPRGKRZSA-N 1 2 343.324 3.916 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)no1 ZINC000378351871 1038510834 /nfs/dbraw/zinc/51/08/34/1038510834.db2.gz UORQMGLJCIRGHG-LBPRGKRZSA-N 1 2 343.324 3.916 20 0 EHADLO CC(C)(CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)CC(F)F ZINC000893221194 1038564707 /nfs/dbraw/zinc/56/47/07/1038564707.db2.gz RPHYOGHWGBEKQD-UHFFFAOYSA-N 1 2 340.414 3.913 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)on1 ZINC000025459505 1038599370 /nfs/dbraw/zinc/59/93/70/1038599370.db2.gz XFHJZPOGBFXCDH-LJQANCHMSA-N 1 2 347.418 3.569 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)on1 ZINC000025459505 1038599376 /nfs/dbraw/zinc/59/93/76/1038599376.db2.gz XFHJZPOGBFXCDH-LJQANCHMSA-N 1 2 347.418 3.569 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)sn1 ZINC000660003434 1038680232 /nfs/dbraw/zinc/68/02/32/1038680232.db2.gz NMCDAKMKJZUCCS-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)sn1 ZINC000660003434 1038680238 /nfs/dbraw/zinc/68/02/38/1038680238.db2.gz NMCDAKMKJZUCCS-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc(OC)c1 ZINC000539119098 1038695334 /nfs/dbraw/zinc/69/53/34/1038695334.db2.gz OIGOHYCQANURHB-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc(OC)c1 ZINC000539119098 1038695342 /nfs/dbraw/zinc/69/53/42/1038695342.db2.gz OIGOHYCQANURHB-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1c(F)cccc1F ZINC000539224798 1038738210 /nfs/dbraw/zinc/73/82/10/1038738210.db2.gz ARACWDJKFLPDMB-JTQLQIEISA-N 1 2 347.390 3.864 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1c(F)cccc1F ZINC000539227533 1038740207 /nfs/dbraw/zinc/74/02/07/1038740207.db2.gz UKPXJFYYLUWEBO-NWDGAFQWSA-N 1 2 336.357 3.632 20 0 EHADLO Cc1nc(C2([NH2+]CCOCc3ccccc3)CCCCCC2)no1 ZINC000660039219 1038764505 /nfs/dbraw/zinc/76/45/05/1038764505.db2.gz HVXQJILUGGCYOO-UHFFFAOYSA-N 1 2 329.444 3.734 20 0 EHADLO O=C(Nc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000124006463 1038780844 /nfs/dbraw/zinc/78/08/44/1038780844.db2.gz RPNWHTJFDHUDSM-UHFFFAOYSA-N 1 2 332.407 3.833 20 0 EHADLO CC1CCN(C(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000539333070 1038782252 /nfs/dbraw/zinc/78/22/52/1038782252.db2.gz ZSUJHVOYLGDFCS-UHFFFAOYSA-N 1 2 341.282 3.831 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2ccnn2CC2CC2)C[C@@H]2CCCO2)c1 ZINC000667564234 1038784945 /nfs/dbraw/zinc/78/49/45/1038784945.db2.gz GIQYWPWLHISFOA-FQEVSTJZSA-N 1 2 343.446 3.613 20 0 EHADLO Fc1cccc(C[N@H+](Cc2ccnn2CC2CC2)C[C@@H]2CCCO2)c1 ZINC000667564234 1038784956 /nfs/dbraw/zinc/78/49/56/1038784956.db2.gz GIQYWPWLHISFOA-FQEVSTJZSA-N 1 2 343.446 3.613 20 0 EHADLO FCCn1cc(CNc2[nH+]c3ccccc3n2C2CCCC2)cn1 ZINC000905405472 1038861010 /nfs/dbraw/zinc/86/10/10/1038861010.db2.gz FCJBZVOSQBYKDM-UHFFFAOYSA-N 1 2 327.407 3.930 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462214063 1038869655 /nfs/dbraw/zinc/86/96/55/1038869655.db2.gz YUZAMROBFKBCPT-XHSDSOJGSA-N 1 2 337.533 3.961 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2ccc(C(F)F)c(F)c2)c1 ZINC000893266885 1038875164 /nfs/dbraw/zinc/87/51/64/1038875164.db2.gz QYUXLIRQKWYQSQ-UHFFFAOYSA-N 1 2 342.386 3.996 20 0 EHADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1C(=O)[O-] ZINC000910351993 1038877907 /nfs/dbraw/zinc/87/79/07/1038877907.db2.gz LEEQOXRIDRSVIW-HNNXBMFYSA-N 1 2 341.455 3.774 20 0 EHADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@H+](C(C)C)C2)c1C(=O)[O-] ZINC000910351993 1038877926 /nfs/dbraw/zinc/87/79/26/1038877926.db2.gz LEEQOXRIDRSVIW-HNNXBMFYSA-N 1 2 341.455 3.774 20 0 EHADLO Cc1cccn2c(CNc3nnc(C4CCC(F)(F)CC4)o3)c[nH+]c12 ZINC000905425489 1038889734 /nfs/dbraw/zinc/88/97/34/1038889734.db2.gz AQIJVASABINWEK-UHFFFAOYSA-N 1 2 347.369 3.931 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)c1C ZINC000667576029 1038890553 /nfs/dbraw/zinc/89/05/53/1038890553.db2.gz AXTARQXULXMTSU-HZPDHXFCSA-N 1 2 330.472 3.882 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H](C3CC3)C3CCOCC3)c21 ZINC000651402083 1038904370 /nfs/dbraw/zinc/90/43/70/1038904370.db2.gz NPKCWKQQOKTSPZ-KRWDZBQOSA-N 1 2 340.402 3.867 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cc1cc(Br)cnc1Br ZINC001141123615 1038905172 /nfs/dbraw/zinc/90/51/72/1038905172.db2.gz ITOJDKPFLXQLBT-NSHDSACASA-N 1 2 348.082 3.981 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cc1cc(Br)cnc1Br ZINC001141123615 1038905189 /nfs/dbraw/zinc/90/51/89/1038905189.db2.gz ITOJDKPFLXQLBT-NSHDSACASA-N 1 2 348.082 3.981 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC000552057951 1038922375 /nfs/dbraw/zinc/92/23/75/1038922375.db2.gz OKBGBHSRQNWFPJ-UHFFFAOYSA-N 1 2 338.411 3.899 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(O)c1 ZINC000195454804 1038971387 /nfs/dbraw/zinc/97/13/87/1038971387.db2.gz YJSUBDCGTABLTO-NSHDSACASA-N 1 2 346.793 3.616 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000552103168 1038992257 /nfs/dbraw/zinc/99/22/57/1038992257.db2.gz FENPATWZCQWLKR-CQSZACIVSA-N 1 2 327.371 3.594 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000552103168 1038992282 /nfs/dbraw/zinc/99/22/82/1038992282.db2.gz FENPATWZCQWLKR-CQSZACIVSA-N 1 2 327.371 3.594 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\Sc1ccccc1 ZINC000760623973 1039003829 /nfs/dbraw/zinc/00/38/29/1039003829.db2.gz UBVLJOUMXFQFSL-WJDWOHSUSA-N 1 2 343.496 3.990 20 0 EHADLO COc1ccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000019173585 1039008307 /nfs/dbraw/zinc/00/83/07/1039008307.db2.gz JPZWZYVULTUDQY-BJMVGYQFSA-N 1 2 349.390 3.541 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)[C@@H](CC)CN1C(C)=O ZINC000432750127 1039038358 /nfs/dbraw/zinc/03/83/58/1039038358.db2.gz XYTSISOKTDNPEA-QWHCGFSZSA-N 1 2 348.434 3.988 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@@H](CC)CN1C(C)=O ZINC000432750127 1039038367 /nfs/dbraw/zinc/03/83/67/1039038367.db2.gz XYTSISOKTDNPEA-QWHCGFSZSA-N 1 2 348.434 3.988 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916339 1039048175 /nfs/dbraw/zinc/04/81/75/1039048175.db2.gz VYSFIPDNTCYCCU-YPMHNXCESA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916339 1039048188 /nfs/dbraw/zinc/04/81/88/1039048188.db2.gz VYSFIPDNTCYCCU-YPMHNXCESA-N 1 2 345.270 3.557 20 0 EHADLO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000554200338 1039056440 /nfs/dbraw/zinc/05/64/40/1039056440.db2.gz WTDOFPANSDMSBC-RDTXWAMCSA-N 1 2 345.874 3.955 20 0 EHADLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000818036769 1039056477 /nfs/dbraw/zinc/05/64/77/1039056477.db2.gz DHWJEPUOGGVJMT-SNVBAGLBSA-N 1 2 334.153 3.756 20 0 EHADLO Fc1cccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1OC(F)F ZINC000660100445 1039094396 /nfs/dbraw/zinc/09/43/96/1039094396.db2.gz JJCUMEATKUBHRO-UHFFFAOYSA-N 1 2 347.340 3.903 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)O[C@@H](C)C2 ZINC000552282598 1039133363 /nfs/dbraw/zinc/13/33/63/1039133363.db2.gz GRNIBIWBEOXZEI-VBKZILBWSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)O[C@@H](C)C2 ZINC000552282598 1039133372 /nfs/dbraw/zinc/13/33/72/1039133372.db2.gz GRNIBIWBEOXZEI-VBKZILBWSA-N 1 2 338.451 3.997 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898495210 1039143183 /nfs/dbraw/zinc/14/31/83/1039143183.db2.gz JXJRPCFWCFKWDS-ZDUSSCGKSA-N 1 2 344.883 3.616 20 0 EHADLO CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898495210 1039143189 /nfs/dbraw/zinc/14/31/89/1039143189.db2.gz JXJRPCFWCFKWDS-ZDUSSCGKSA-N 1 2 344.883 3.616 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1OC(F)F ZINC000432783985 1039166755 /nfs/dbraw/zinc/16/67/55/1039166755.db2.gz MKVKLXKCCKEVPN-GFCCVEGCSA-N 1 2 338.402 3.945 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512449932 1039192130 /nfs/dbraw/zinc/19/21/30/1039192130.db2.gz MRDLDMXFYCLTGK-IPYPFGDCSA-N 1 2 343.298 3.849 20 0 EHADLO C[N@H+](Cc1nc(C2CC2)no1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304160 1039198654 /nfs/dbraw/zinc/19/86/54/1039198654.db2.gz QIWPKDDLSFNJPA-HZPDHXFCSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304160 1039198662 /nfs/dbraw/zinc/19/86/62/1039198662.db2.gz QIWPKDDLSFNJPA-HZPDHXFCSA-N 1 2 327.428 3.625 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311982 1039213252 /nfs/dbraw/zinc/21/32/52/1039213252.db2.gz ZWDCYKHENBXCGF-SFHVURJKSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311982 1039213269 /nfs/dbraw/zinc/21/32/69/1039213269.db2.gz ZWDCYKHENBXCGF-SFHVURJKSA-N 1 2 328.481 3.756 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000552351139 1039220120 /nfs/dbraw/zinc/22/01/20/1039220120.db2.gz RDZVGRKOVFBQCR-QGZVFWFLSA-N 1 2 340.442 3.962 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2cccc(Br)c2F)C1 ZINC000668515301 1039253103 /nfs/dbraw/zinc/25/31/03/1039253103.db2.gz UMTZBQMAFHRKRA-UHFFFAOYSA-N 1 2 342.252 3.837 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)c1C ZINC000488517495 1039254466 /nfs/dbraw/zinc/25/44/66/1039254466.db2.gz NFFJXMBTQSLCHA-UHFFFAOYSA-N 1 2 327.403 3.959 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)c1C ZINC000488517495 1039254474 /nfs/dbraw/zinc/25/44/74/1039254474.db2.gz NFFJXMBTQSLCHA-UHFFFAOYSA-N 1 2 327.403 3.959 20 0 EHADLO CCCCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccccc1 ZINC000488560056 1039276542 /nfs/dbraw/zinc/27/65/42/1039276542.db2.gz CEUMGBQZBNKAMJ-AEFFLSMTSA-N 1 2 340.471 3.771 20 0 EHADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000152045584 1039361661 /nfs/dbraw/zinc/36/16/61/1039361661.db2.gz LFMSYUMBQBGGJL-KPZWWZAWSA-N 1 2 342.370 3.607 20 0 EHADLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646957 1039376514 /nfs/dbraw/zinc/37/65/14/1039376514.db2.gz ICDXVOFUXFTPRF-MOPGFXCFSA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646957 1039376522 /nfs/dbraw/zinc/37/65/22/1039376522.db2.gz ICDXVOFUXFTPRF-MOPGFXCFSA-N 1 2 344.405 3.702 20 0 EHADLO Cc1ccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000044129543 1039393691 /nfs/dbraw/zinc/39/36/91/1039393691.db2.gz DXJIHLUXNKYZRJ-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584663347 1039409002 /nfs/dbraw/zinc/40/90/02/1039409002.db2.gz ZIHVOAFYEYSPAG-INIZCTEOSA-N 1 2 335.451 3.760 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000584663347 1039409008 /nfs/dbraw/zinc/40/90/08/1039409008.db2.gz ZIHVOAFYEYSPAG-INIZCTEOSA-N 1 2 335.451 3.760 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000044138974 1039447460 /nfs/dbraw/zinc/44/74/60/1039447460.db2.gz LJVUFUHCYSYDKB-VIFPVBQESA-N 1 2 329.256 3.565 20 0 EHADLO C[C@]1(CCCO)CCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660160020 1039453727 /nfs/dbraw/zinc/45/37/27/1039453727.db2.gz JSYSOXJIHYGZSK-CQSZACIVSA-N 1 2 347.684 3.625 20 0 EHADLO C[C@]1(CCCO)CCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660160020 1039453733 /nfs/dbraw/zinc/45/37/33/1039453733.db2.gz JSYSOXJIHYGZSK-CQSZACIVSA-N 1 2 347.684 3.625 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000554540515 1039459334 /nfs/dbraw/zinc/45/93/34/1039459334.db2.gz YLBNOELCJQOQOM-UHFFFAOYSA-N 1 2 333.435 3.522 20 0 EHADLO O=C([C@H]1CCC[C@H]1Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666220 1039470242 /nfs/dbraw/zinc/47/02/42/1039470242.db2.gz GALFDZYCKUKYPF-ICSRJNTNSA-N 1 2 337.467 3.706 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Br)o1)CO2 ZINC000480362171 1039476094 /nfs/dbraw/zinc/47/60/94/1039476094.db2.gz YGFRMALDDVYZLG-NSHDSACASA-N 1 2 328.593 3.919 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ncc(Br)cn1 ZINC000644895351 1039485969 /nfs/dbraw/zinc/48/59/69/1039485969.db2.gz LDSCAICIWSBPQK-SNVBAGLBSA-N 1 2 331.217 3.571 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC000660166403 1039513204 /nfs/dbraw/zinc/51/32/04/1039513204.db2.gz SIPQAOLMYSMGDK-AWEZNQCLSA-N 1 2 326.444 3.616 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC000660166403 1039513213 /nfs/dbraw/zinc/51/32/13/1039513213.db2.gz SIPQAOLMYSMGDK-AWEZNQCLSA-N 1 2 326.444 3.616 20 0 EHADLO Cc1cc(C)cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500808114 1039524002 /nfs/dbraw/zinc/52/40/02/1039524002.db2.gz MGRJFMOGUBOYFT-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cc1cc(C)cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500808114 1039524014 /nfs/dbraw/zinc/52/40/14/1039524014.db2.gz MGRJFMOGUBOYFT-LJQANCHMSA-N 1 2 349.434 3.927 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000667673330 1039535128 /nfs/dbraw/zinc/53/51/28/1039535128.db2.gz YGDOXAYKVSISCS-AWEZNQCLSA-N 1 2 338.377 3.515 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000667673330 1039535143 /nfs/dbraw/zinc/53/51/43/1039535143.db2.gz YGDOXAYKVSISCS-AWEZNQCLSA-N 1 2 338.377 3.515 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000906412974 1039547481 /nfs/dbraw/zinc/54/74/81/1039547481.db2.gz XIPZSLNZLXCQNV-QUCCMNQESA-N 1 2 338.451 3.905 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000417227048 1039561603 /nfs/dbraw/zinc/56/16/03/1039561603.db2.gz LBIZFWHCELOSLQ-ZDUSSCGKSA-N 1 2 330.457 3.852 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000489051792 1039572376 /nfs/dbraw/zinc/57/23/76/1039572376.db2.gz JZYLPDUFVRJKRZ-GOSISDBHSA-N 1 2 346.515 3.855 20 0 EHADLO CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1(C)C ZINC001126841545 1039591070 /nfs/dbraw/zinc/59/10/70/1039591070.db2.gz ANJAQCGZYNKWFL-IAGOWNOFSA-N 1 2 343.471 3.699 20 0 EHADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000417265859 1039622281 /nfs/dbraw/zinc/62/22/81/1039622281.db2.gz VNESCXQNSKUSEL-GOSISDBHSA-N 1 2 335.407 3.797 20 0 EHADLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000417265859 1039622286 /nfs/dbraw/zinc/62/22/86/1039622286.db2.gz VNESCXQNSKUSEL-GOSISDBHSA-N 1 2 335.407 3.797 20 0 EHADLO Cc1sc(NC(=O)C[C@H]([NH3+])C(F)F)nc1-c1cccc(Cl)c1 ZINC000912001927 1039631720 /nfs/dbraw/zinc/63/17/20/1039631720.db2.gz VNHHKBYEOYWRNL-JTQLQIEISA-N 1 2 345.802 3.693 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489134730 1039662664 /nfs/dbraw/zinc/66/26/64/1039662664.db2.gz YBGZPSQQBLMGCP-IZBJGVDFSA-N 1 2 349.478 3.559 20 0 EHADLO Cc1cccc2cc(C(=O)NCC(C)(C)n3cc[nH+]c3)c(Cl)nc12 ZINC000898906174 1039693215 /nfs/dbraw/zinc/69/32/15/1039693215.db2.gz CUHUBMUWCKECML-UHFFFAOYSA-N 1 2 342.830 3.558 20 0 EHADLO C[C@@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000898907389 1039694476 /nfs/dbraw/zinc/69/44/76/1039694476.db2.gz VNLFSGHRIDEWBP-CQSZACIVSA-N 1 2 333.863 3.657 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCCC1 ZINC000007910104 1039744187 /nfs/dbraw/zinc/74/41/87/1039744187.db2.gz RKMVYNGOCMBWJT-MRXNPFEDSA-N 1 2 343.496 3.882 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCCC1 ZINC000007910104 1039744199 /nfs/dbraw/zinc/74/41/99/1039744199.db2.gz RKMVYNGOCMBWJT-MRXNPFEDSA-N 1 2 343.496 3.882 20 0 EHADLO CO[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1cccc(Cl)c1 ZINC000906841594 1039775408 /nfs/dbraw/zinc/77/54/08/1039775408.db2.gz QFCUSQDWPGJMCQ-INIZCTEOSA-N 1 2 332.831 3.778 20 0 EHADLO Cc1cc(C)c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c(C)[nH+]1 ZINC000906875904 1039788602 /nfs/dbraw/zinc/78/86/02/1039788602.db2.gz RXPRJRNYUXLHED-UHFFFAOYSA-N 1 2 343.374 3.754 20 0 EHADLO CC[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@]2(CCOC2)O1 ZINC000553209660 1039867947 /nfs/dbraw/zinc/86/79/47/1039867947.db2.gz UQWOJIJZZWFTDI-ACJLOTCBSA-N 1 2 332.831 3.663 20 0 EHADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805079 1039877515 /nfs/dbraw/zinc/87/75/15/1039877515.db2.gz FYLHWKMITILZAC-KBXCAEBGSA-N 1 2 335.407 3.795 20 0 EHADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)O1 ZINC000923805079 1039877539 /nfs/dbraw/zinc/87/75/39/1039877539.db2.gz FYLHWKMITILZAC-KBXCAEBGSA-N 1 2 335.407 3.795 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000553297248 1039944269 /nfs/dbraw/zinc/94/42/69/1039944269.db2.gz MAWVJZBWEMZNOV-RCCFBDPRSA-N 1 2 338.455 3.871 20 0 EHADLO Cc1cc(C)c(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(C)[nH+]1 ZINC000907197858 1039953093 /nfs/dbraw/zinc/95/30/93/1039953093.db2.gz QZFKBVWHNNCHKN-UHFFFAOYSA-N 1 2 346.471 3.637 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156499083 1039960947 /nfs/dbraw/zinc/96/09/47/1039960947.db2.gz RDWUPDUMQABFPS-QRVBRYPASA-N 1 2 337.467 3.630 20 0 EHADLO Cc1cc(OCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2[nH+]1 ZINC000486231284 1039998490 /nfs/dbraw/zinc/99/84/90/1039998490.db2.gz UUCCJHXTOXWRRM-UHFFFAOYSA-N 1 2 345.402 3.559 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)cc12 ZINC000894042997 1040001468 /nfs/dbraw/zinc/00/14/68/1040001468.db2.gz QKWCNSABOZINFX-KPZWWZAWSA-N 1 2 341.386 3.632 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)cc12 ZINC000894042997 1040001488 /nfs/dbraw/zinc/00/14/88/1040001488.db2.gz QKWCNSABOZINFX-KPZWWZAWSA-N 1 2 341.386 3.632 20 0 EHADLO Fc1ccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000553362681 1040009155 /nfs/dbraw/zinc/00/91/55/1040009155.db2.gz GMTQSHODFZZELG-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO Fc1ccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000553362681 1040009173 /nfs/dbraw/zinc/00/91/73/1040009173.db2.gz GMTQSHODFZZELG-UHFFFAOYSA-N 1 2 325.387 3.630 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ocnc2C)CC1 ZINC000894054358 1040018558 /nfs/dbraw/zinc/01/85/58/1040018558.db2.gz OYEFFIKGWSZTPX-KRWDZBQOSA-N 1 2 335.398 3.530 20 0 EHADLO Cc1cc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)nc(C2CCC2)[nH+]1 ZINC000894069656 1040045354 /nfs/dbraw/zinc/04/53/54/1040045354.db2.gz FLHUJRDYHKLCFT-SJORKVTESA-N 1 2 327.472 3.838 20 0 EHADLO CC(C)CSCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000473032370 1040059355 /nfs/dbraw/zinc/05/93/55/1040059355.db2.gz DOGVXURARJJVMP-SFHVURJKSA-N 1 2 335.513 3.740 20 0 EHADLO CC(C)CSCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000473032370 1040059370 /nfs/dbraw/zinc/05/93/70/1040059370.db2.gz DOGVXURARJJVMP-SFHVURJKSA-N 1 2 335.513 3.740 20 0 EHADLO Cc1ccc2c(C)cc(N[C@H](C)C(=O)N3Cc4ccccc4C3)[nH+]c2c1 ZINC000480831806 1040078253 /nfs/dbraw/zinc/07/82/53/1040078253.db2.gz UJOROMUNHGWSHE-MRXNPFEDSA-N 1 2 345.446 3.616 20 0 EHADLO COc1cc(CNc2cc[nH+]cc2F)c(-c2ccccc2)cc1OC ZINC000486367176 1040092698 /nfs/dbraw/zinc/09/26/98/1040092698.db2.gz QILSSVQBCDUICI-UHFFFAOYSA-N 1 2 338.382 3.939 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2nsc3ccccc23)c(C)[nH+]1 ZINC000912698923 1040124720 /nfs/dbraw/zinc/12/47/20/1040124720.db2.gz VGXFSUDFPJOZLI-UHFFFAOYSA-N 1 2 325.437 3.589 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](OC(F)F)C3)n2)cc1F ZINC000555073569 1040129653 /nfs/dbraw/zinc/12/96/53/1040129653.db2.gz PGYFKULITAPRGG-PWSUYJOCSA-N 1 2 341.333 3.559 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@H](OC(F)F)C3)n2)cc1F ZINC000555073569 1040129657 /nfs/dbraw/zinc/12/96/57/1040129657.db2.gz PGYFKULITAPRGG-PWSUYJOCSA-N 1 2 341.333 3.559 20 0 EHADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc(Br)s1 ZINC001156099379 1132500660 /nfs/dbraw/zinc/50/06/60/1132500660.db2.gz OMUIOZYMIIVBNJ-QMMMGPOBSA-N 1 2 327.251 3.540 20 0 EHADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc(Br)s1 ZINC001156099379 1132500665 /nfs/dbraw/zinc/50/06/65/1132500665.db2.gz OMUIOZYMIIVBNJ-QMMMGPOBSA-N 1 2 327.251 3.540 20 0 EHADLO Clc1scc(CN2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000432911733 1040157982 /nfs/dbraw/zinc/15/79/82/1040157982.db2.gz KJXUDFRAFNSVKP-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000907816301 1040183671 /nfs/dbraw/zinc/18/36/71/1040183671.db2.gz SCKFSCGBHPOQRE-CJNGLKHVSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000907816301 1040183682 /nfs/dbraw/zinc/18/36/82/1040183682.db2.gz SCKFSCGBHPOQRE-CJNGLKHVSA-N 1 2 329.488 3.867 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@H]1C ZINC000432928604 1040200489 /nfs/dbraw/zinc/20/04/89/1040200489.db2.gz SXKSAHQVNAGKAE-KOLCDFICSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C[C@H]1C ZINC000432928604 1040200503 /nfs/dbraw/zinc/20/05/03/1040200503.db2.gz SXKSAHQVNAGKAE-KOLCDFICSA-N 1 2 334.218 3.764 20 0 EHADLO C[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1(C)CCCC1 ZINC000489887547 1040221842 /nfs/dbraw/zinc/22/18/42/1040221842.db2.gz PZRFFKXKTQDRIQ-UHFFFAOYSA-N 1 2 348.447 3.694 20 0 EHADLO C[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1(C)CCCC1 ZINC000489887547 1040221855 /nfs/dbraw/zinc/22/18/55/1040221855.db2.gz PZRFFKXKTQDRIQ-UHFFFAOYSA-N 1 2 348.447 3.694 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C(C)C)n(C)n1 ZINC000417772202 1040227355 /nfs/dbraw/zinc/22/73/55/1040227355.db2.gz HJXAKRSREYXFAM-LJQANCHMSA-N 1 2 337.471 3.996 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C(C)C)n(C)n1 ZINC000417772202 1040227369 /nfs/dbraw/zinc/22/73/69/1040227369.db2.gz HJXAKRSREYXFAM-LJQANCHMSA-N 1 2 337.471 3.996 20 0 EHADLO Cc1ccc(F)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000479428178 1040242865 /nfs/dbraw/zinc/24/28/65/1040242865.db2.gz UGJVEEUURCTUFP-IBGZPJMESA-N 1 2 327.378 3.886 20 0 EHADLO Cc1ccc(F)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000479428181 1040243756 /nfs/dbraw/zinc/24/37/56/1040243756.db2.gz UGJVEEUURCTUFP-LJQANCHMSA-N 1 2 327.378 3.886 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3OC(F)F)no2)C[C@H](C)O1 ZINC000899252403 1040244151 /nfs/dbraw/zinc/24/41/51/1040244151.db2.gz HCFDZUFLCILMOM-TXEJJXNPSA-N 1 2 338.354 3.552 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3OC(F)F)no2)C[C@H](C)O1 ZINC000899252403 1040244174 /nfs/dbraw/zinc/24/41/74/1040244174.db2.gz HCFDZUFLCILMOM-TXEJJXNPSA-N 1 2 338.354 3.552 20 0 EHADLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2[nH+]ccc3c(N)cccc32)C1 ZINC000663873140 1040244816 /nfs/dbraw/zinc/24/48/16/1040244816.db2.gz WMMRKZAYMHXIFO-HQJJXPTPSA-N 1 2 325.456 3.583 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000908077245 1040288377 /nfs/dbraw/zinc/28/83/77/1040288377.db2.gz UMBUUKQCAYTDSV-IAGOWNOFSA-N 1 2 331.847 3.838 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000490032763 1040302812 /nfs/dbraw/zinc/30/28/12/1040302812.db2.gz BXFGFNYEHFUDKY-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000490032763 1040302830 /nfs/dbraw/zinc/30/28/30/1040302830.db2.gz BXFGFNYEHFUDKY-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667506247 1040320218 /nfs/dbraw/zinc/32/02/18/1040320218.db2.gz CSUDZKUPTWNIEH-UHFFFAOYSA-N 1 2 343.858 3.578 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)s1 ZINC000293073529 1040364839 /nfs/dbraw/zinc/36/48/39/1040364839.db2.gz ZSVINMLVGHADLR-VIFPVBQESA-N 1 2 328.279 3.712 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(CC)cn1 ZINC000555299485 1040375244 /nfs/dbraw/zinc/37/52/44/1040375244.db2.gz JWSRKTUAFFPTMA-UHFFFAOYSA-N 1 2 341.455 3.503 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(CC)cn1 ZINC000555299485 1040375262 /nfs/dbraw/zinc/37/52/62/1040375262.db2.gz JWSRKTUAFFPTMA-UHFFFAOYSA-N 1 2 341.455 3.503 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)[C@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000908365092 1040412777 /nfs/dbraw/zinc/41/27/77/1040412777.db2.gz UGQHNMAAMNEELP-CXAGYDPISA-N 1 2 330.453 3.501 20 0 EHADLO CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000669041768 1040417896 /nfs/dbraw/zinc/41/78/96/1040417896.db2.gz PBKBUXSVFVNPPP-MAUKXSAKSA-N 1 2 341.455 3.745 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Br)[C@@H](CO)c1ccccc1 ZINC000479613523 1040433237 /nfs/dbraw/zinc/43/32/37/1040433237.db2.gz DVRFTCOFNLPKIM-INIZCTEOSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Br)[C@@H](CO)c1ccccc1 ZINC000479613523 1040433240 /nfs/dbraw/zinc/43/32/40/1040433240.db2.gz DVRFTCOFNLPKIM-INIZCTEOSA-N 1 2 338.220 3.754 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)nc(N)c2c1C ZINC000152744037 1040470250 /nfs/dbraw/zinc/47/02/50/1040470250.db2.gz GNGOHUZGAYCJDQ-SNVBAGLBSA-N 1 2 330.819 3.926 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)CC[S@@]1=O ZINC000433040416 1040527410 /nfs/dbraw/zinc/52/74/10/1040527410.db2.gz QVFQZLPITSAIRL-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)CC[S@@]1=O ZINC000433040416 1040527424 /nfs/dbraw/zinc/52/74/24/1040527424.db2.gz QVFQZLPITSAIRL-OSPHWJPCSA-N 1 2 343.492 3.609 20 0 EHADLO c1ccc(Oc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cn2)cc1 ZINC000893335233 1040566320 /nfs/dbraw/zinc/56/63/20/1040566320.db2.gz PIRBWVFORBRCHZ-UHFFFAOYSA-N 1 2 338.436 3.893 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000667547471 1040575775 /nfs/dbraw/zinc/57/57/75/1040575775.db2.gz MZQBISGSBXWKOX-UHFFFAOYSA-N 1 2 340.471 3.663 20 0 EHADLO O=C(Nc1ccc2c(c1)C=CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000667853822 1040576214 /nfs/dbraw/zinc/57/62/14/1040576214.db2.gz PXBNVODZHBRXAP-UHFFFAOYSA-N 1 2 348.450 3.785 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1sccc1C(C)C ZINC000155264285 1040576263 /nfs/dbraw/zinc/57/62/63/1040576263.db2.gz FYVFUBAKTZQRAU-UHFFFAOYSA-N 1 2 345.468 3.664 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)NCCCn2cc[nH+]c2)c(C)c1 ZINC000645099502 1040586395 /nfs/dbraw/zinc/58/63/95/1040586395.db2.gz IVVQLWIZOUOFIR-UHFFFAOYSA-N 1 2 342.487 3.758 20 0 EHADLO Brc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)nc1 ZINC000418132491 1040627668 /nfs/dbraw/zinc/62/76/68/1040627668.db2.gz ZAWKMCDFPVHAFT-AWEZNQCLSA-N 1 2 327.291 3.562 20 0 EHADLO Brc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)nc1 ZINC000418132491 1040627674 /nfs/dbraw/zinc/62/76/74/1040627674.db2.gz ZAWKMCDFPVHAFT-AWEZNQCLSA-N 1 2 327.291 3.562 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000473473869 1040660827 /nfs/dbraw/zinc/66/08/27/1040660827.db2.gz TVNBEVSQTFANNL-BRWVUGGUSA-N 1 2 344.503 3.648 20 0 EHADLO CCC1(O)CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000411294046 1040674634 /nfs/dbraw/zinc/67/46/34/1040674634.db2.gz MLSKOKVGOLCUGA-UHFFFAOYSA-N 1 2 332.669 3.839 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)c2cc1C ZINC000029533813 1040680166 /nfs/dbraw/zinc/68/01/66/1040680166.db2.gz SLZQDPKXDQIKLE-NRFANRHFSA-N 1 2 349.430 3.983 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](c4ccccc4)C3)c2cc1C ZINC000029533813 1040680184 /nfs/dbraw/zinc/68/01/84/1040680184.db2.gz SLZQDPKXDQIKLE-NRFANRHFSA-N 1 2 349.430 3.983 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1F ZINC000364285026 1040685054 /nfs/dbraw/zinc/68/50/54/1040685054.db2.gz UJYJKXTUCQPEJA-SJCJKPOMSA-N 1 2 349.837 3.752 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000490916366 1040817371 /nfs/dbraw/zinc/81/73/71/1040817371.db2.gz GAUQVBMZLDQBPL-YVEFUNNKSA-N 1 2 346.862 3.749 20 0 EHADLO CCc1cccc(Cl)c1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000473478239 1040857032 /nfs/dbraw/zinc/85/70/32/1040857032.db2.gz LORCOIYORFAIML-UHFFFAOYSA-N 1 2 331.847 3.746 20 0 EHADLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000491133349 1040942391 /nfs/dbraw/zinc/94/23/91/1040942391.db2.gz STODTZQSFORQPO-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000491133349 1040942406 /nfs/dbraw/zinc/94/24/06/1040942406.db2.gz STODTZQSFORQPO-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc2ccccc21 ZINC000899657414 1040945015 /nfs/dbraw/zinc/94/50/15/1040945015.db2.gz PKZPONGJGMERNZ-VQIMIIECSA-N 1 2 333.435 3.866 20 0 EHADLO c1nc(C2CC2)c(C[NH2+]Cc2nnc(-c3ccccc3)s2)s1 ZINC000570877286 1040960586 /nfs/dbraw/zinc/96/05/86/1040960586.db2.gz ZGIPSJHHYYYXPF-UHFFFAOYSA-N 1 2 328.466 3.829 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000668782425 1040967219 /nfs/dbraw/zinc/96/72/19/1040967219.db2.gz SZYNYXPTBIKLQU-NEWSRXKRSA-N 1 2 341.499 3.503 20 0 EHADLO Cc1cc(OC(C)C)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001211809924 1040979988 /nfs/dbraw/zinc/97/99/88/1040979988.db2.gz LIIBZWGLHANOHO-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO Cc1cccn2cc(CC(=O)N(CCc3ccccc3)CC(C)C)[nH+]c12 ZINC000586750476 1040995417 /nfs/dbraw/zinc/99/54/17/1040995417.db2.gz LBGWXINILGQBTI-UHFFFAOYSA-N 1 2 349.478 3.913 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000487693889 1041048969 /nfs/dbraw/zinc/04/89/69/1041048969.db2.gz SKVAVWIWUCGJAK-UHFFFAOYSA-N 1 2 344.503 3.521 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000487698173 1041055505 /nfs/dbraw/zinc/05/55/05/1041055505.db2.gz SXPKVUSLZRWKHV-SJLPKXTDSA-N 1 2 340.471 3.983 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc(Cl)s1 ZINC000481572009 1041095575 /nfs/dbraw/zinc/09/55/75/1041095575.db2.gz MEVCNSAZDZVKOU-HNNXBMFYSA-N 1 2 337.872 3.626 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433230464 1041116349 /nfs/dbraw/zinc/11/63/49/1041116349.db2.gz FWFSJNBZIPGPPV-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433230464 1041116356 /nfs/dbraw/zinc/11/63/56/1041116356.db2.gz FWFSJNBZIPGPPV-UHFFFAOYSA-N 1 2 340.851 3.597 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000433234206 1041121242 /nfs/dbraw/zinc/12/12/42/1041121242.db2.gz JNECEBWYTDAIHD-GFCCVEGCSA-N 1 2 338.854 3.700 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000433234206 1041121255 /nfs/dbraw/zinc/12/12/55/1041121255.db2.gz JNECEBWYTDAIHD-GFCCVEGCSA-N 1 2 338.854 3.700 20 0 EHADLO CCCc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1C1CCCC1 ZINC000570921669 1041134526 /nfs/dbraw/zinc/13/45/26/1041134526.db2.gz XDONSHONHDWZAM-UHFFFAOYSA-N 1 2 340.471 3.893 20 0 EHADLO COCCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000487863268 1041136195 /nfs/dbraw/zinc/13/61/95/1041136195.db2.gz VURJCNPCFMYEOW-MRXNPFEDSA-N 1 2 347.883 3.622 20 0 EHADLO COCCSCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000487863268 1041136203 /nfs/dbraw/zinc/13/62/03/1041136203.db2.gz VURJCNPCFMYEOW-MRXNPFEDSA-N 1 2 347.883 3.622 20 0 EHADLO CCc1cccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000265487780 1041193829 /nfs/dbraw/zinc/19/38/29/1041193829.db2.gz MMAUFMQEHJHDPD-UHFFFAOYSA-N 1 2 329.469 3.621 20 0 EHADLO Cc1sc2nc(C[N@@H+](C)Cc3ccc(F)cc3C)nc(N)c2c1C ZINC000487975959 1041229352 /nfs/dbraw/zinc/22/93/52/1041229352.db2.gz DBWCGHDNMCIBCB-UHFFFAOYSA-N 1 2 344.459 3.970 20 0 EHADLO Cc1sc2nc(C[N@H+](C)Cc3ccc(F)cc3C)nc(N)c2c1C ZINC000487975959 1041229372 /nfs/dbraw/zinc/22/93/72/1041229372.db2.gz DBWCGHDNMCIBCB-UHFFFAOYSA-N 1 2 344.459 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000899857555 1041240823 /nfs/dbraw/zinc/24/08/23/1041240823.db2.gz LUZUVXQBUHIVDD-SFHVURJKSA-N 1 2 333.435 3.884 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433301517 1041241343 /nfs/dbraw/zinc/24/13/43/1041241343.db2.gz GKJYKXNJNMONRI-ZDUSSCGKSA-N 1 2 335.860 3.533 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433301517 1041241356 /nfs/dbraw/zinc/24/13/56/1041241356.db2.gz GKJYKXNJNMONRI-ZDUSSCGKSA-N 1 2 335.860 3.533 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)oc1C ZINC000292387301 1041592635 /nfs/dbraw/zinc/59/26/35/1041592635.db2.gz HVCAOLRXTGRCFI-LLVKDONJSA-N 1 2 334.441 3.870 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)[C@@H](C)C1 ZINC000652099229 1041603885 /nfs/dbraw/zinc/60/38/85/1041603885.db2.gz RWQNTDYBUNVTMK-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)[C@@H](C)C1 ZINC000652099229 1041603891 /nfs/dbraw/zinc/60/38/91/1041603891.db2.gz RWQNTDYBUNVTMK-LBPRGKRZSA-N 1 2 349.887 3.630 20 0 EHADLO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102199 1041605707 /nfs/dbraw/zinc/60/57/07/1041605707.db2.gz JUFFNRAYQRHAJN-VQIMIIECSA-N 1 2 337.467 3.762 20 0 EHADLO Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000636582018 1041607110 /nfs/dbraw/zinc/60/71/10/1041607110.db2.gz RIGBRUQQQBDERO-CYBMUJFWSA-N 1 2 331.441 3.528 20 0 EHADLO Cc1nc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000660539881 1041648109 /nfs/dbraw/zinc/64/81/09/1041648109.db2.gz PDUBTSZZSATQPU-CQSZACIVSA-N 1 2 329.227 3.812 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3OC(F)F)[nH+]cn2)C1 ZINC000432176870 1041695392 /nfs/dbraw/zinc/69/53/92/1041695392.db2.gz KWCCUBKAPWNLCV-BFHYXJOUSA-N 1 2 340.418 3.675 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3OC(F)F)nc[nH+]2)C1 ZINC000432176870 1041695393 /nfs/dbraw/zinc/69/53/93/1041695393.db2.gz KWCCUBKAPWNLCV-BFHYXJOUSA-N 1 2 340.418 3.675 20 0 EHADLO Clc1ccccc1-c1csc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660582625 1041708340 /nfs/dbraw/zinc/70/83/40/1041708340.db2.gz XFLFJGCVGBUMQU-UHFFFAOYSA-N 1 2 330.844 3.676 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000613754789 1041714835 /nfs/dbraw/zinc/71/48/35/1041714835.db2.gz BKYFDUAQSUYTLI-CQSZACIVSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000613754789 1041714837 /nfs/dbraw/zinc/71/48/37/1041714837.db2.gz BKYFDUAQSUYTLI-CQSZACIVSA-N 1 2 340.345 3.885 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=S)n1C ZINC000026630088 1041721294 /nfs/dbraw/zinc/72/12/94/1041721294.db2.gz GTVXKTBSIFZATK-CYBMUJFWSA-N 1 2 348.516 3.951 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=S)n1C ZINC000026630088 1041721300 /nfs/dbraw/zinc/72/13/00/1041721300.db2.gz GTVXKTBSIFZATK-CYBMUJFWSA-N 1 2 348.516 3.951 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2nsc3ccccc32)C[C@@H]1c1ccccc1 ZINC000660670648 1041764048 /nfs/dbraw/zinc/76/40/48/1041764048.db2.gz IMJMRUPQIAGGIZ-APWZRJJASA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2nsc3ccccc32)C[C@@H]1c1ccccc1 ZINC000660670648 1041764053 /nfs/dbraw/zinc/76/40/53/1041764053.db2.gz IMJMRUPQIAGGIZ-APWZRJJASA-N 1 2 342.439 3.596 20 0 EHADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632329 1041814907 /nfs/dbraw/zinc/81/49/07/1041814907.db2.gz KLZHKGJSYMSIHG-NWDGAFQWSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651632329 1041814913 /nfs/dbraw/zinc/81/49/13/1041814913.db2.gz KLZHKGJSYMSIHG-NWDGAFQWSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000661171107 1041981076 /nfs/dbraw/zinc/98/10/76/1041981076.db2.gz KULMRBYOXTWYFY-NRFANRHFSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCO1 ZINC000661171107 1041981086 /nfs/dbraw/zinc/98/10/86/1041981086.db2.gz KULMRBYOXTWYFY-NRFANRHFSA-N 1 2 338.451 3.662 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651741253 1041985912 /nfs/dbraw/zinc/98/59/12/1041985912.db2.gz CKCLWTOUQARSOM-VFNWGFHPSA-N 1 2 337.467 3.592 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CC4(CCCC4)[C@@H]3c3ccco3)cc(=O)n2c1 ZINC000661447183 1042123772 /nfs/dbraw/zinc/12/37/72/1042123772.db2.gz UHKFMKIHWPUILE-FQEVSTJZSA-N 1 2 349.434 3.713 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CC4(CCCC4)[C@@H]3c3ccco3)cc(=O)n2c1 ZINC000661447183 1042123774 /nfs/dbraw/zinc/12/37/74/1042123774.db2.gz UHKFMKIHWPUILE-FQEVSTJZSA-N 1 2 349.434 3.713 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513972 1042160345 /nfs/dbraw/zinc/16/03/45/1042160345.db2.gz VFPZRVQSHLTCBR-HNAYVOBHSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513972 1042160346 /nfs/dbraw/zinc/16/03/46/1042160346.db2.gz VFPZRVQSHLTCBR-HNAYVOBHSA-N 1 2 326.415 3.620 20 0 EHADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661538011 1042177161 /nfs/dbraw/zinc/17/71/61/1042177161.db2.gz XUCKBTXLQJZLJB-KGLIPLIRSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661538011 1042177162 /nfs/dbraw/zinc/17/71/62/1042177162.db2.gz XUCKBTXLQJZLJB-KGLIPLIRSA-N 1 2 343.393 3.574 20 0 EHADLO C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1C(=O)OC(C)(C)C ZINC000596284604 1042280558 /nfs/dbraw/zinc/28/05/58/1042280558.db2.gz BCVPCUYJOPLJIM-BBRMVZONSA-N 1 2 341.455 3.621 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000661737682 1042293762 /nfs/dbraw/zinc/29/37/62/1042293762.db2.gz JOHDSUDMRSJFHD-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)C2 ZINC000661737682 1042293764 /nfs/dbraw/zinc/29/37/64/1042293764.db2.gz JOHDSUDMRSJFHD-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2ncc(Cl)n2C)cnn1-c1ccc(F)cc1 ZINC000178448391 1042317091 /nfs/dbraw/zinc/31/70/91/1042317091.db2.gz CPXZLMPBCXFTFV-NSHDSACASA-N 1 2 347.825 3.558 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873156 1042381083 /nfs/dbraw/zinc/38/10/83/1042381083.db2.gz IKCXDPLLZUIWOR-AAEUAGOBSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873156 1042381089 /nfs/dbraw/zinc/38/10/89/1042381089.db2.gz IKCXDPLLZUIWOR-AAEUAGOBSA-N 1 2 345.306 3.687 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661950729 1042425367 /nfs/dbraw/zinc/42/53/67/1042425367.db2.gz DHXZHLMKRMVWID-CQSZACIVSA-N 1 2 346.496 3.571 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661951414 1042427546 /nfs/dbraw/zinc/42/75/46/1042427546.db2.gz MYTLSVAYKQOEOI-GFCCVEGCSA-N 1 2 331.441 3.694 20 0 EHADLO O[C@@H](C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094343 1042515278 /nfs/dbraw/zinc/51/52/78/1042515278.db2.gz LVLWVXQVMLBKPK-VXGBXAGGSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@@H](C[N@H+]1CC[C@@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094343 1042515283 /nfs/dbraw/zinc/51/52/83/1042515283.db2.gz LVLWVXQVMLBKPK-VXGBXAGGSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2sccc2C1 ZINC000028175814 1042516730 /nfs/dbraw/zinc/51/67/30/1042516730.db2.gz QGQWDNOQYGMXGM-ZDUSSCGKSA-N 1 2 337.448 3.682 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2sccc2C1 ZINC000028175814 1042516734 /nfs/dbraw/zinc/51/67/34/1042516734.db2.gz QGQWDNOQYGMXGM-ZDUSSCGKSA-N 1 2 337.448 3.682 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)Nc3cc(C)[nH+]c(C4CCC4)n3)n2)c1 ZINC000893556804 1042632989 /nfs/dbraw/zinc/63/29/89/1042632989.db2.gz UDIUXUGDBQFSNZ-ZDUSSCGKSA-N 1 2 349.442 3.714 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC1=CCSC1 ZINC000662269103 1042644115 /nfs/dbraw/zinc/64/41/15/1042644115.db2.gz XUDJKLSLUJPFDQ-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC1=CCSC1 ZINC000662269103 1042644117 /nfs/dbraw/zinc/64/41/17/1042644117.db2.gz XUDJKLSLUJPFDQ-UHFFFAOYSA-N 1 2 331.268 3.537 20 0 EHADLO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043157327 1042654420 /nfs/dbraw/zinc/65/44/20/1042654420.db2.gz ODODZUOSBFFKQD-UHFFFAOYSA-N 1 2 347.509 3.820 20 0 EHADLO Cn1c(=S)n(C[N@H+](C)CCC2CC2)nc1-c1ccccc1Cl ZINC000162898107 1042673279 /nfs/dbraw/zinc/67/32/79/1042673279.db2.gz FYSMKVPYKHNRQQ-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO Cn1c(=S)n(C[N@@H+](C)CCC2CC2)nc1-c1ccccc1Cl ZINC000162898107 1042673281 /nfs/dbraw/zinc/67/32/81/1042673281.db2.gz FYSMKVPYKHNRQQ-UHFFFAOYSA-N 1 2 336.892 3.961 20 0 EHADLO C[N@H+](CCC1CC1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000162900306 1042679669 /nfs/dbraw/zinc/67/96/69/1042679669.db2.gz CHSMZEMOYSLWMJ-UHFFFAOYSA-N 1 2 328.485 3.970 20 0 EHADLO C[N@@H+](CCC1CC1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000162900306 1042679672 /nfs/dbraw/zinc/67/96/72/1042679672.db2.gz CHSMZEMOYSLWMJ-UHFFFAOYSA-N 1 2 328.485 3.970 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000278867305 1042764061 /nfs/dbraw/zinc/76/40/61/1042764061.db2.gz YHYDDDRDTQRMKO-GHMZBOCLSA-N 1 2 331.445 3.886 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901132 1042845888 /nfs/dbraw/zinc/84/58/88/1042845888.db2.gz FAYQODBWPISPSH-DYVFJYSZSA-N 1 2 338.386 3.854 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000075901132 1042845895 /nfs/dbraw/zinc/84/58/95/1042845895.db2.gz FAYQODBWPISPSH-DYVFJYSZSA-N 1 2 338.386 3.854 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc(C)[nH+]1 ZINC000643241841 1042902130 /nfs/dbraw/zinc/90/21/30/1042902130.db2.gz XRQAGHKUPVQOOW-TZMCWYRMSA-N 1 2 329.366 3.571 20 0 EHADLO Fc1ccc2[nH]cc(CCC[NH2+][C@H](c3nnc[nH]3)c3ccccc3)c2c1 ZINC000343945574 1042905211 /nfs/dbraw/zinc/90/52/11/1042905211.db2.gz WDEXDWXNGPGQTQ-IBGZPJMESA-N 1 2 349.413 3.737 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1F ZINC000165877141 1042906104 /nfs/dbraw/zinc/90/61/04/1042906104.db2.gz XYJSHUADKDPKQV-WWGRRREGSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2Cl)OCCO3)on1 ZINC000343984418 1043058298 /nfs/dbraw/zinc/05/82/98/1043058298.db2.gz PIWHLMYLUTZRIL-AWEZNQCLSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2Cl)OCCO3)on1 ZINC000343984418 1043058307 /nfs/dbraw/zinc/05/83/07/1043058307.db2.gz PIWHLMYLUTZRIL-AWEZNQCLSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278949453 1043069151 /nfs/dbraw/zinc/06/91/51/1043069151.db2.gz MCSUKJQPSNSGJF-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO Fc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(F)c1 ZINC000278969748 1043103782 /nfs/dbraw/zinc/10/37/82/1043103782.db2.gz XQKMCGWRRREAMO-UHFFFAOYSA-N 1 2 331.410 3.877 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)N[C@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC000344036829 1043139631 /nfs/dbraw/zinc/13/96/31/1043139631.db2.gz SYLFRVFXUKPXBH-QGZVFWFLSA-N 1 2 348.450 3.746 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000344074072 1043204063 /nfs/dbraw/zinc/20/40/63/1043204063.db2.gz YQFMVHTZTXMROH-UHFFFAOYSA-N 1 2 342.349 3.650 20 0 EHADLO CCOc1ccc(NC(=O)C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279030089 1043220326 /nfs/dbraw/zinc/22/03/26/1043220326.db2.gz BGMDFGILCUNZBT-UHFFFAOYSA-N 1 2 347.484 3.568 20 0 EHADLO CCCn1ncnc1C[NH2+][C@@H](CC(C)C)c1ccccc1OCC ZINC000279074358 1043304749 /nfs/dbraw/zinc/30/47/49/1043304749.db2.gz KTQPTSBWIPTVRR-KRWDZBQOSA-N 1 2 330.476 3.964 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279137546 1043421842 /nfs/dbraw/zinc/42/18/42/1043421842.db2.gz NLYAZMZQDWEWFY-UHFFFAOYSA-N 1 2 331.485 3.786 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000279163093 1043480833 /nfs/dbraw/zinc/48/08/33/1043480833.db2.gz CAEHVFWCCWHISG-LJQANCHMSA-N 1 2 347.455 3.578 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000279163093 1043480841 /nfs/dbraw/zinc/48/08/41/1043480841.db2.gz CAEHVFWCCWHISG-LJQANCHMSA-N 1 2 347.455 3.578 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344252430 1043521296 /nfs/dbraw/zinc/52/12/96/1043521296.db2.gz QEHYHDPUEDCXQR-STQMWFEESA-N 1 2 343.374 3.519 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344252430 1043521309 /nfs/dbraw/zinc/52/13/09/1043521309.db2.gz QEHYHDPUEDCXQR-STQMWFEESA-N 1 2 343.374 3.519 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](c3cccs3)C3CC3)ccc2[nH+]1 ZINC000606569143 1043662432 /nfs/dbraw/zinc/66/24/32/1043662432.db2.gz ZZLACCHWYTVSOL-MRXNPFEDSA-N 1 2 326.425 3.977 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000344333661 1043676184 /nfs/dbraw/zinc/67/61/84/1043676184.db2.gz VFCXVRNMMBIGQB-SFHVURJKSA-N 1 2 331.485 3.525 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)cs1 ZINC000344335108 1043678585 /nfs/dbraw/zinc/67/85/85/1043678585.db2.gz RBWMRVLHOVLTHT-ZDUSSCGKSA-N 1 2 348.516 3.922 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438648 1043757690 /nfs/dbraw/zinc/75/76/90/1043757690.db2.gz FNBGMDXFZCUCMA-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438648 1043757707 /nfs/dbraw/zinc/75/77/07/1043757707.db2.gz FNBGMDXFZCUCMA-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(-n2cccn2)cc1 ZINC000162769749 1043776854 /nfs/dbraw/zinc/77/68/54/1043776854.db2.gz QYXCWNYCCINEBA-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000344370586 1043780872 /nfs/dbraw/zinc/78/08/72/1043780872.db2.gz IPBXMNDAYIFZTL-YOEHRIQHSA-N 1 2 339.501 3.581 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000344370586 1043780884 /nfs/dbraw/zinc/78/08/84/1043780884.db2.gz IPBXMNDAYIFZTL-YOEHRIQHSA-N 1 2 339.501 3.581 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc(OC)c1C ZINC000162793695 1043786110 /nfs/dbraw/zinc/78/61/10/1043786110.db2.gz WCMAGKMITHYBFH-UHFFFAOYSA-N 1 2 337.379 3.655 20 0 EHADLO C[C@H]1CCN(c2nc3ccccc3n3cccc23)C[C@@H]1n1cc[nH+]c1 ZINC000663714694 1043787033 /nfs/dbraw/zinc/78/70/33/1043787033.db2.gz YIPPABDIBYJXGJ-KXBFYZLASA-N 1 2 331.423 3.772 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663720636 1043812080 /nfs/dbraw/zinc/81/20/80/1043812080.db2.gz QBZFUGYSMCIOAJ-KRWDZBQOSA-N 1 2 346.519 3.623 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663720636 1043812095 /nfs/dbraw/zinc/81/20/95/1043812095.db2.gz QBZFUGYSMCIOAJ-KRWDZBQOSA-N 1 2 346.519 3.623 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000344378203 1043841881 /nfs/dbraw/zinc/84/18/81/1043841881.db2.gz MDFFSCGXSYJSCX-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000344378203 1043841897 /nfs/dbraw/zinc/84/18/97/1043841897.db2.gz MDFFSCGXSYJSCX-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO CCC1(C)CC[NH+](Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000728901047 1043848805 /nfs/dbraw/zinc/84/88/05/1043848805.db2.gz VSTAYDLCQICPBW-UHFFFAOYSA-N 1 2 325.526 3.531 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)CC2(O)CCCCCC2)no1 ZINC000187365550 1043962402 /nfs/dbraw/zinc/96/24/02/1043962402.db2.gz OSYYLJLNOFWULS-UHFFFAOYSA-N 1 2 329.444 3.562 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)CC2(O)CCCCCC2)no1 ZINC000187365550 1043962412 /nfs/dbraw/zinc/96/24/12/1043962412.db2.gz OSYYLJLNOFWULS-UHFFFAOYSA-N 1 2 329.444 3.562 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000111900067 1044060189 /nfs/dbraw/zinc/06/01/89/1044060189.db2.gz UHQQEPIZRHANFU-DNVCBOLYSA-N 1 2 338.455 3.506 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000344601720 1044177193 /nfs/dbraw/zinc/17/71/93/1044177193.db2.gz FYDQVPJWCQYBLH-APWZRJJASA-N 1 2 341.455 3.506 20 0 EHADLO Cn1c2ccccc2nc1C[NH2+]Cc1cc(F)ccc1Br ZINC000066989890 1044189008 /nfs/dbraw/zinc/18/90/08/1044189008.db2.gz HQQDGKRYHOOTEE-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cs1 ZINC000344697065 1044296144 /nfs/dbraw/zinc/29/61/44/1044296144.db2.gz GMRYHFKMDBXXGT-GFCCVEGCSA-N 1 2 328.441 3.530 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(F)cc3cccnc32)cs1 ZINC000344703477 1044309352 /nfs/dbraw/zinc/30/93/52/1044309352.db2.gz UGDHKMCRVIMZHB-NSHDSACASA-N 1 2 331.416 3.828 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000344706620 1044320389 /nfs/dbraw/zinc/32/03/89/1044320389.db2.gz OVNZQBCXCQVQTD-AWEZNQCLSA-N 1 2 335.904 3.984 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000645169254 1044376014 /nfs/dbraw/zinc/37/60/14/1044376014.db2.gz HWXYKFWQZSEENP-ZDUSSCGKSA-N 1 2 345.748 3.888 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@H](C)S[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000344774278 1044416424 /nfs/dbraw/zinc/41/64/24/1044416424.db2.gz MNMQOLYKHBUSBL-KGLIPLIRSA-N 1 2 340.920 3.687 20 0 EHADLO CCOc1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000112236598 1044593284 /nfs/dbraw/zinc/59/32/84/1044593284.db2.gz LZQOLHVDUSCTRG-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(C)s1 ZINC000112349935 1044602122 /nfs/dbraw/zinc/60/21/22/1044602122.db2.gz WYIJCHNLEFOJJQ-UHFFFAOYSA-N 1 2 337.876 3.956 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(C)s1 ZINC000112349935 1044602127 /nfs/dbraw/zinc/60/21/27/1044602127.db2.gz WYIJCHNLEFOJJQ-UHFFFAOYSA-N 1 2 337.876 3.956 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3cnc(-c4ccncc4)s3)[nH]c21 ZINC000344935869 1044700360 /nfs/dbraw/zinc/70/03/60/1044700360.db2.gz XGBNGADTTCYPCP-UHFFFAOYSA-N 1 2 335.436 3.680 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112784270 1044791750 /nfs/dbraw/zinc/79/17/50/1044791750.db2.gz KXVXUXYHYDLJCK-IRXDYDNUSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112796781 1044797440 /nfs/dbraw/zinc/79/74/40/1044797440.db2.gz QUNCXWLAHRBSJR-GUYCJALGSA-N 1 2 331.391 3.545 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112796783 1044798335 /nfs/dbraw/zinc/79/83/35/1044798335.db2.gz QUNCXWLAHRBSJR-CXAGYDPISA-N 1 2 331.391 3.545 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112793143 1044806769 /nfs/dbraw/zinc/80/67/69/1044806769.db2.gz OKAAOCZMDKSZHG-DLBZAZTESA-N 1 2 339.345 3.893 20 0 EHADLO O=C(CCCc1ccc(O)c(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000345010613 1044832263 /nfs/dbraw/zinc/83/22/63/1044832263.db2.gz DAFSFRQDJQFCSW-UHFFFAOYSA-N 1 2 339.370 3.678 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000620413186 1125566926 /nfs/dbraw/zinc/56/69/26/1125566926.db2.gz BBQAAXRCERCOHE-LJQANCHMSA-N 1 2 341.455 3.816 20 0 EHADLO O=C(Nc1ccc(Cl)cc1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000153605413 1125636192 /nfs/dbraw/zinc/63/61/92/1125636192.db2.gz CQZYROSFALAASO-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000154025434 1125686439 /nfs/dbraw/zinc/68/64/39/1125686439.db2.gz CFJWDOVZSGGCCI-AWEZNQCLSA-N 1 2 341.846 3.899 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000154025434 1125686444 /nfs/dbraw/zinc/68/64/44/1125686444.db2.gz CFJWDOVZSGGCCI-AWEZNQCLSA-N 1 2 341.846 3.899 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000154755285 1125753877 /nfs/dbraw/zinc/75/38/77/1125753877.db2.gz FGYPTZONZZBXMO-UHFFFAOYSA-N 1 2 335.407 3.838 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000154868736 1125762573 /nfs/dbraw/zinc/76/25/73/1125762573.db2.gz DAHVSNBUSFWKCN-UHFFFAOYSA-N 1 2 337.423 3.624 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1nnc(-c2ccccc2)s1 ZINC000155082136 1125783835 /nfs/dbraw/zinc/78/38/35/1125783835.db2.gz XVGYVFJUCOEXLD-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1nnc(-c2ccccc2)s1 ZINC000155082136 1125783840 /nfs/dbraw/zinc/78/38/40/1125783840.db2.gz XVGYVFJUCOEXLD-UHFFFAOYSA-N 1 2 343.427 3.855 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC=C(c2ccccc2)C1 ZINC000671201060 1126707038 /nfs/dbraw/zinc/70/70/38/1126707038.db2.gz YOLLQUGDXNWRMU-UHFFFAOYSA-N 1 2 347.462 3.501 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC(OC3CCCCC3)CC2)nc2ccccc21 ZINC000622832578 1126785816 /nfs/dbraw/zinc/78/58/16/1126785816.db2.gz RIVQIOJSLPBQCT-UHFFFAOYSA-N 1 2 341.455 3.649 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3C)cs2)cc1 ZINC000172589896 1126800002 /nfs/dbraw/zinc/80/00/02/1126800002.db2.gz UNLXIWVFMQTEHE-LBPRGKRZSA-N 1 2 348.493 3.534 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3C)cs2)cc1 ZINC000172589896 1126800007 /nfs/dbraw/zinc/80/00/07/1126800007.db2.gz UNLXIWVFMQTEHE-LBPRGKRZSA-N 1 2 348.493 3.534 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccccc2OCc2cccnc2)s1 ZINC000174573883 1126856023 /nfs/dbraw/zinc/85/60/23/1126856023.db2.gz DKKQIJLNEPCOIK-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000623121900 1126880491 /nfs/dbraw/zinc/88/04/91/1126880491.db2.gz RSRTXYCUJULIKG-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000623121900 1126880494 /nfs/dbraw/zinc/88/04/94/1126880494.db2.gz RSRTXYCUJULIKG-UHFFFAOYSA-N 1 2 342.283 3.918 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261830 1126907905 /nfs/dbraw/zinc/90/79/05/1126907905.db2.gz CLXIHWMAGNXMQB-ZDUSSCGKSA-N 1 2 349.887 3.783 20 0 EHADLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)sc1Cc1ccccc1 ZINC000623266709 1126905742 /nfs/dbraw/zinc/90/57/42/1126905742.db2.gz KSKBVYATJVLJFN-UHFFFAOYSA-N 1 2 340.452 3.658 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000623265133 1126907536 /nfs/dbraw/zinc/90/75/36/1126907536.db2.gz XDWVADIORBLXSE-UHFFFAOYSA-N 1 2 348.406 3.554 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(O)c(C(C)C)c1 ZINC000623299992 1126910386 /nfs/dbraw/zinc/91/03/86/1126910386.db2.gz GVWJCKVRYQCQBM-HNNXBMFYSA-N 1 2 341.455 3.580 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(C2CCCCC2)CCCCC1 ZINC000623301841 1126911541 /nfs/dbraw/zinc/91/15/41/1126911541.db2.gz UZIDPAPYADDDHS-QGZVFWFLSA-N 1 2 329.488 3.845 20 0 EHADLO C[C@H]([NH2+]CCCC(C)(C)CO)c1cc(Br)cc(F)c1O ZINC000185537462 1126930996 /nfs/dbraw/zinc/93/09/96/1126930996.db2.gz KLEOOZSZIZZXDK-JTQLQIEISA-N 1 2 348.256 3.743 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(F)cc1Cl ZINC001238298176 1126953256 /nfs/dbraw/zinc/95/32/56/1126953256.db2.gz FNRXVZOOUPQDSP-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(F)cc1Cl ZINC001238298176 1126953259 /nfs/dbraw/zinc/95/32/59/1126953259.db2.gz FNRXVZOOUPQDSP-ZDUSSCGKSA-N 1 2 325.733 3.534 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OC3CC3)c2)[nH]1 ZINC000623506994 1126968575 /nfs/dbraw/zinc/96/85/75/1126968575.db2.gz RXERGOQVGVOAEC-STQMWFEESA-N 1 2 344.459 3.719 20 0 EHADLO C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515963 1126973246 /nfs/dbraw/zinc/97/32/46/1126973246.db2.gz XUEJOPPDXARWIQ-VQTJNVASSA-N 1 2 343.559 3.750 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000177241938 1126979516 /nfs/dbraw/zinc/97/95/16/1126979516.db2.gz NHDNDMVGWQBGKB-OAQYLSRUSA-N 1 2 339.435 3.516 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000177241938 1126979518 /nfs/dbraw/zinc/97/95/18/1126979518.db2.gz NHDNDMVGWQBGKB-OAQYLSRUSA-N 1 2 339.435 3.516 20 0 EHADLO COc1ncc(Br)cc1C[NH2+]Cc1ccsc1Cl ZINC000623664779 1127009017 /nfs/dbraw/zinc/00/90/17/1127009017.db2.gz NZUYJSVOJUNENN-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)nnc1-c1ccccc1 ZINC000178720981 1127028118 /nfs/dbraw/zinc/02/81/18/1127028118.db2.gz LBFSWXHSHNZCMO-SFHVURJKSA-N 1 2 336.414 3.958 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)nnc1-c1ccccc1 ZINC000178720981 1127028122 /nfs/dbraw/zinc/02/81/22/1127028122.db2.gz LBFSWXHSHNZCMO-SFHVURJKSA-N 1 2 336.414 3.958 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000178942700 1127038601 /nfs/dbraw/zinc/03/86/01/1127038601.db2.gz JXNMAMSCWZSPFD-SFHVURJKSA-N 1 2 344.499 3.982 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000349403898 1127038882 /nfs/dbraw/zinc/03/88/82/1127038882.db2.gz GWAANPNIFJSVCL-MFKMUULPSA-N 1 2 337.395 3.877 20 0 EHADLO CO[C@@H]1CCC[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349668167 1127046296 /nfs/dbraw/zinc/04/62/96/1127046296.db2.gz KPVCCNRMDWVUGU-IAGOWNOFSA-N 1 2 338.411 3.654 20 0 EHADLO CC(C)(C)n1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cn1 ZINC000350274579 1127068969 /nfs/dbraw/zinc/06/89/69/1127068969.db2.gz DCYQVANVWIHTKX-UHFFFAOYSA-N 1 2 348.410 3.600 20 0 EHADLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)c1 ZINC000179670014 1127079912 /nfs/dbraw/zinc/07/99/12/1127079912.db2.gz MWTGMHDXFRQNPP-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cccc2OC)c(F)c1 ZINC000179901361 1127098649 /nfs/dbraw/zinc/09/86/49/1127098649.db2.gz GNXJPFFIPZDWTR-LLVKDONJSA-N 1 2 335.350 3.611 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180272228 1127139175 /nfs/dbraw/zinc/13/91/75/1127139175.db2.gz NBCMXUXXSHVXEA-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180272228 1127139181 /nfs/dbraw/zinc/13/91/81/1127139181.db2.gz NBCMXUXXSHVXEA-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)n1cc[nH+]c1 ZINC001299255252 1127147495 /nfs/dbraw/zinc/14/74/95/1127147495.db2.gz PBWUQFAKCFBGJO-OWCLPIDISA-N 1 2 335.492 3.569 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180625807 1127177373 /nfs/dbraw/zinc/17/73/73/1127177373.db2.gz FNFBCCCQLRBTEU-GXTWGEPZSA-N 1 2 345.443 3.940 20 0 EHADLO COc1ccc2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)[nH]c2c1 ZINC000623809949 1127187874 /nfs/dbraw/zinc/18/78/74/1127187874.db2.gz VCACKWYHTRIDLU-UHFFFAOYSA-N 1 2 332.363 3.819 20 0 EHADLO CCc1ccnc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000180831642 1127189016 /nfs/dbraw/zinc/18/90/16/1127189016.db2.gz XNIZXLHLAOTLII-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1ccnc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000180831642 1127189019 /nfs/dbraw/zinc/18/90/19/1127189019.db2.gz XNIZXLHLAOTLII-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1ccnc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000180831624 1127189267 /nfs/dbraw/zinc/18/92/67/1127189267.db2.gz XNIZXLHLAOTLII-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1ccnc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000180831624 1127189270 /nfs/dbraw/zinc/18/92/70/1127189270.db2.gz XNIZXLHLAOTLII-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000623925799 1127217700 /nfs/dbraw/zinc/21/77/00/1127217700.db2.gz PHZAGAFXXNIQKL-GXFFZTMASA-N 1 2 330.375 3.855 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)no1 ZINC000624078593 1127247342 /nfs/dbraw/zinc/24/73/42/1127247342.db2.gz NCPRFEJSLRTYPI-WDBKCZKBSA-N 1 2 326.318 3.568 20 0 EHADLO COCc1ccc([C@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)o1 ZINC000624107682 1127252504 /nfs/dbraw/zinc/25/25/04/1127252504.db2.gz SVOVBOAHCVWKDG-QGZVFWFLSA-N 1 2 348.406 3.963 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181199201 1127269869 /nfs/dbraw/zinc/26/98/69/1127269869.db2.gz BXORMCPDINXLEH-WMZOPIPTSA-N 1 2 343.471 3.916 20 0 EHADLO O=C1NCC[C@@H]1[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181888569 1127301190 /nfs/dbraw/zinc/30/11/90/1127301190.db2.gz LFRABANWCIOIHD-JKSUJKDBSA-N 1 2 335.234 3.561 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc(F)c1F ZINC000181953706 1127304426 /nfs/dbraw/zinc/30/44/26/1127304426.db2.gz GLKXRORCILHABU-GFCCVEGCSA-N 1 2 328.366 3.611 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)n1 ZINC000182100803 1127312129 /nfs/dbraw/zinc/31/21/29/1127312129.db2.gz JDQSLHDPUSOAGL-ZDUSSCGKSA-N 1 2 335.473 3.610 20 0 EHADLO CC[N@H+](Cc1nc(COC)no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182116422 1127313126 /nfs/dbraw/zinc/31/31/26/1127313126.db2.gz NICVGKNQVVQGEO-NSHDSACASA-N 1 2 343.349 3.818 20 0 EHADLO CC[N@@H+](Cc1nc(COC)no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182116422 1127313128 /nfs/dbraw/zinc/31/31/28/1127313128.db2.gz NICVGKNQVVQGEO-NSHDSACASA-N 1 2 343.349 3.818 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000182408037 1127327853 /nfs/dbraw/zinc/32/78/53/1127327853.db2.gz XIAYHEJCZBTUHS-HNNXBMFYSA-N 1 2 344.436 3.625 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(-n3cncn3)cc2)c[nH+]1 ZINC000183166206 1127365442 /nfs/dbraw/zinc/36/54/42/1127365442.db2.gz HFRKHWDLRUMXDP-HNNXBMFYSA-N 1 2 336.443 3.682 20 0 EHADLO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1O ZINC000183538799 1127380123 /nfs/dbraw/zinc/38/01/23/1127380123.db2.gz YZAWOXYFMJWVHD-HXUWFJFHSA-N 1 2 338.382 3.814 20 0 EHADLO CC1(C)Cc2occc2[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000183928885 1127389629 /nfs/dbraw/zinc/38/96/29/1127389629.db2.gz UBPWFRFGASNWFT-MRXNPFEDSA-N 1 2 327.428 3.637 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(F)c1)c1ccco1 ZINC000184181136 1127397061 /nfs/dbraw/zinc/39/70/61/1127397061.db2.gz BVFUOAMBMAOCIR-PBHICJAKSA-N 1 2 348.418 3.749 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184480344 1127406047 /nfs/dbraw/zinc/40/60/47/1127406047.db2.gz VFUMXPPLYADYFE-CYBMUJFWSA-N 1 2 337.533 3.788 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184527121 1127407817 /nfs/dbraw/zinc/40/78/17/1127407817.db2.gz WDTZUZAZBLWBII-PBHICJAKSA-N 1 2 344.455 3.881 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)c1ccc(C)o1 ZINC000184706551 1127411835 /nfs/dbraw/zinc/41/18/35/1127411835.db2.gz TZBSJXRQASMBLM-KRWDZBQOSA-N 1 2 330.428 3.627 20 0 EHADLO COc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000184742684 1127412596 /nfs/dbraw/zinc/41/25/96/1127412596.db2.gz CXIGTPPCEBPRCC-UHFFFAOYSA-N 1 2 347.462 3.693 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185069775 1127419916 /nfs/dbraw/zinc/41/99/16/1127419916.db2.gz KEBOAPTZDVXXNB-DLBZAZTESA-N 1 2 345.512 3.740 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000654441712 1127438405 /nfs/dbraw/zinc/43/84/05/1127438405.db2.gz YRTKKGTUZQYTKO-SNVBAGLBSA-N 1 2 343.374 3.881 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000654441712 1127438406 /nfs/dbraw/zinc/43/84/06/1127438406.db2.gz YRTKKGTUZQYTKO-SNVBAGLBSA-N 1 2 343.374 3.881 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cn(-c2ccccc2)nn1 ZINC000154815001 1127459117 /nfs/dbraw/zinc/45/91/17/1127459117.db2.gz KYYZOFXHAXRWEP-KPZWWZAWSA-N 1 2 340.377 3.884 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000195307772 1127476432 /nfs/dbraw/zinc/47/64/32/1127476432.db2.gz JSZSKOBNDNOCCQ-SFHVURJKSA-N 1 2 343.858 3.644 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000671437908 1127494457 /nfs/dbraw/zinc/49/44/57/1127494457.db2.gz PKPMBZMZOGMWFC-LJQBUTKESA-N 1 2 325.456 3.514 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000671437908 1127494459 /nfs/dbraw/zinc/49/44/59/1127494459.db2.gz PKPMBZMZOGMWFC-LJQBUTKESA-N 1 2 325.456 3.514 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1csc2ccccc12 ZINC000764824412 1127539703 /nfs/dbraw/zinc/53/97/03/1127539703.db2.gz XFLGIUYUOKTVPU-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1csc2ccccc12 ZINC000764824412 1127539705 /nfs/dbraw/zinc/53/97/05/1127539705.db2.gz XFLGIUYUOKTVPU-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764876829 1127547562 /nfs/dbraw/zinc/54/75/62/1127547562.db2.gz BQKCZKBZASIQAK-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764876829 1127547564 /nfs/dbraw/zinc/54/75/64/1127547564.db2.gz BQKCZKBZASIQAK-CYBMUJFWSA-N 1 2 333.505 3.820 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)CC1 ZINC000765014148 1127563176 /nfs/dbraw/zinc/56/31/76/1127563176.db2.gz PTWAAZGRVHAVCR-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)CC1 ZINC000765014148 1127563179 /nfs/dbraw/zinc/56/31/79/1127563179.db2.gz PTWAAZGRVHAVCR-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000765032618 1127565370 /nfs/dbraw/zinc/56/53/70/1127565370.db2.gz FGIWOFMKCIPAMC-CABCVRRESA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000765032618 1127565373 /nfs/dbraw/zinc/56/53/73/1127565373.db2.gz FGIWOFMKCIPAMC-CABCVRRESA-N 1 2 345.516 3.964 20 0 EHADLO C[C@@H]1CCCCC[N@@H+]1Cn1nc(COc2ccccc2)n(C)c1=S ZINC000765017110 1127565811 /nfs/dbraw/zinc/56/58/11/1127565811.db2.gz YNYCFQAHHWUJQJ-OAHLLOKOSA-N 1 2 346.500 3.752 20 0 EHADLO C[C@@H]1CCCCC[N@H+]1Cn1nc(COc2ccccc2)n(C)c1=S ZINC000765017110 1127565813 /nfs/dbraw/zinc/56/58/13/1127565813.db2.gz YNYCFQAHHWUJQJ-OAHLLOKOSA-N 1 2 346.500 3.752 20 0 EHADLO Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)c(N(C)C)[nH+]1 ZINC000749987717 1127565916 /nfs/dbraw/zinc/56/59/16/1127565916.db2.gz VNAJYZAIHMUYDR-UHFFFAOYSA-N 1 2 338.436 3.832 20 0 EHADLO O=C(CC[N@H+]1Cc2ccc(Br)cc2C1)Nc1ccccc1 ZINC000765057189 1127568241 /nfs/dbraw/zinc/56/82/41/1127568241.db2.gz ZLQCUDAVFHOHCA-UHFFFAOYSA-N 1 2 345.240 3.794 20 0 EHADLO O=C(CC[N@@H+]1Cc2ccc(Br)cc2C1)Nc1ccccc1 ZINC000765057189 1127568244 /nfs/dbraw/zinc/56/82/44/1127568244.db2.gz ZLQCUDAVFHOHCA-UHFFFAOYSA-N 1 2 345.240 3.794 20 0 EHADLO Cc1ccsc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000014067874 1127647313 /nfs/dbraw/zinc/64/73/13/1127647313.db2.gz RDNBEDWFHXWSDS-QGZVFWFLSA-N 1 2 332.444 3.647 20 0 EHADLO Cc1ccsc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000014067874 1127647314 /nfs/dbraw/zinc/64/73/14/1127647314.db2.gz RDNBEDWFHXWSDS-QGZVFWFLSA-N 1 2 332.444 3.647 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000016343272 1127661762 /nfs/dbraw/zinc/66/17/62/1127661762.db2.gz CFTHHLKBLAIUMK-BZPMIXESSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000016343272 1127661765 /nfs/dbraw/zinc/66/17/65/1127661765.db2.gz CFTHHLKBLAIUMK-BZPMIXESSA-N 1 2 328.909 3.917 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(C(C)(C)C)co2)cc(OC)c1OC ZINC000921541222 1127686994 /nfs/dbraw/zinc/68/69/94/1127686994.db2.gz XCLBITPYJMUCTP-LBPRGKRZSA-N 1 2 348.443 3.849 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245189 1127703678 /nfs/dbraw/zinc/70/36/78/1127703678.db2.gz OUQMRMINSIKTAN-STQMWFEESA-N 1 2 332.444 3.511 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000024245189 1127703680 /nfs/dbraw/zinc/70/36/80/1127703680.db2.gz OUQMRMINSIKTAN-STQMWFEESA-N 1 2 332.444 3.511 20 0 EHADLO CSc1ccc(Cl)c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000172113120 1127747931 /nfs/dbraw/zinc/74/79/31/1127747931.db2.gz RAVHWTRMYRGDHN-UHFFFAOYSA-N 1 2 335.860 3.689 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921581404 1127756663 /nfs/dbraw/zinc/75/66/63/1127756663.db2.gz ZWMXBFFCQHUKQM-UHFFFAOYSA-N 1 2 342.468 3.621 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2F)cc1 ZINC000026481772 1127772421 /nfs/dbraw/zinc/77/24/21/1127772421.db2.gz IYDSXGVOBKKTHS-AWEZNQCLSA-N 1 2 330.403 3.683 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2F)cc1 ZINC000026481772 1127772424 /nfs/dbraw/zinc/77/24/24/1127772424.db2.gz IYDSXGVOBKKTHS-AWEZNQCLSA-N 1 2 330.403 3.683 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1F ZINC000027349896 1127779578 /nfs/dbraw/zinc/77/95/78/1127779578.db2.gz OJJMJPZQTAEJIU-GOSISDBHSA-N 1 2 330.403 3.683 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1F ZINC000027349896 1127779581 /nfs/dbraw/zinc/77/95/81/1127779581.db2.gz OJJMJPZQTAEJIU-GOSISDBHSA-N 1 2 330.403 3.683 20 0 EHADLO Cc1ccnn1-c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029916012 1127811204 /nfs/dbraw/zinc/81/12/04/1127811204.db2.gz VLVQIVCDYWWBTP-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030685295 1127823430 /nfs/dbraw/zinc/82/34/30/1127823430.db2.gz CFWREUJTAFTROX-UHFFFAOYSA-N 1 2 325.799 3.798 20 0 EHADLO Cn1cnnc1C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000104695828 1127892826 /nfs/dbraw/zinc/89/28/26/1127892826.db2.gz WTYWDCIRZVWIOY-UHFFFAOYSA-N 1 2 338.377 3.779 20 0 EHADLO Cn1cnnc1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000104695828 1127892830 /nfs/dbraw/zinc/89/28/30/1127892830.db2.gz WTYWDCIRZVWIOY-UHFFFAOYSA-N 1 2 338.377 3.779 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccco3)n2)C1 ZINC000043546107 1127922021 /nfs/dbraw/zinc/92/20/21/1127922021.db2.gz DRKKLLFIFDXWGD-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccco3)n2)C1 ZINC000043546107 1127922024 /nfs/dbraw/zinc/92/20/24/1127922024.db2.gz DRKKLLFIFDXWGD-CYBMUJFWSA-N 1 2 348.472 3.632 20 0 EHADLO O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000044330531 1127934771 /nfs/dbraw/zinc/93/47/71/1127934771.db2.gz HUQDNRFNGAQEOF-IBGZPJMESA-N 1 2 340.492 3.512 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438660 1127937254 /nfs/dbraw/zinc/93/72/54/1127937254.db2.gz JJFOMAVGCRKGHZ-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438660 1127937256 /nfs/dbraw/zinc/93/72/56/1127937256.db2.gz JJFOMAVGCRKGHZ-ZDUSSCGKSA-N 1 2 348.393 3.823 20 0 EHADLO O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045054268 1127944727 /nfs/dbraw/zinc/94/47/27/1127944727.db2.gz SCOUVNAZZNEESP-FQEVSTJZSA-N 1 2 343.386 3.985 20 0 EHADLO CC(C)[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000045151125 1127946599 /nfs/dbraw/zinc/94/65/99/1127946599.db2.gz GHVFVRLOXOIXDW-GOSISDBHSA-N 1 2 344.434 3.719 20 0 EHADLO Cc1cccc(OCCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000045860037 1127962229 /nfs/dbraw/zinc/96/22/29/1127962229.db2.gz KGSIWORWFFANQA-UHFFFAOYSA-N 1 2 335.407 3.978 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2ccc(F)cc21 ZINC000045792821 1127959739 /nfs/dbraw/zinc/95/97/39/1127959739.db2.gz CSAATQSVXMGEDS-UHFFFAOYSA-N 1 2 335.382 3.664 20 0 EHADLO c1cncc(Cc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)c1 ZINC001212364325 1128028813 /nfs/dbraw/zinc/02/88/13/1128028813.db2.gz DRLCTPDPQVNQCI-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc3c4c(cccc42)CC3)c1 ZINC001212364310 1128029102 /nfs/dbraw/zinc/02/91/02/1128029102.db2.gz CZXZQJDYNYBZLU-UHFFFAOYSA-N 1 2 331.419 3.914 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2csc(-c3ccc(C)o3)n2)ccn1 ZINC000347523079 1128035608 /nfs/dbraw/zinc/03/56/08/1128035608.db2.gz BGYOMTZHNGHNIT-GFCCVEGCSA-N 1 2 329.425 3.966 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccccc1)C1CCCC1 ZINC000057373023 1128045552 /nfs/dbraw/zinc/04/55/52/1128045552.db2.gz WHIWAHKQPHOJLU-LJQANCHMSA-N 1 2 340.471 3.894 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000057849532 1128059945 /nfs/dbraw/zinc/05/99/45/1128059945.db2.gz IJIACRUATNLTKB-GJZGRUSLSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000057849532 1128059951 /nfs/dbraw/zinc/05/99/51/1128059951.db2.gz IJIACRUATNLTKB-GJZGRUSLSA-N 1 2 344.430 3.532 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C(C)=O)cc2)c1C ZINC000058514519 1128070369 /nfs/dbraw/zinc/07/03/69/1128070369.db2.gz DALZCILLSYCJQA-UHFFFAOYSA-N 1 2 341.411 3.574 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000058563103 1128072236 /nfs/dbraw/zinc/07/22/36/1128072236.db2.gz ZMRPIBYEORPLMC-OAHLLOKOSA-N 1 2 336.501 3.966 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000058563103 1128072238 /nfs/dbraw/zinc/07/22/38/1128072238.db2.gz ZMRPIBYEORPLMC-OAHLLOKOSA-N 1 2 336.501 3.966 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCOc2ccccc2)c1C ZINC000060216160 1128095229 /nfs/dbraw/zinc/09/52/29/1128095229.db2.gz CTHXDHXKNWJHAK-UHFFFAOYSA-N 1 2 342.439 3.525 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000060613631 1128110382 /nfs/dbraw/zinc/11/03/82/1128110382.db2.gz KFDZUPASDDLSDD-QGZVFWFLSA-N 1 2 337.448 3.970 20 0 EHADLO CC[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000060677014 1128112159 /nfs/dbraw/zinc/11/21/59/1128112159.db2.gz BMSRTLFZJRFJLL-SFHVURJKSA-N 1 2 328.481 3.586 20 0 EHADLO Cc1ccn(-c2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)n1 ZINC000347607680 1128135099 /nfs/dbraw/zinc/13/50/99/1128135099.db2.gz JPKMLPQBOZIARE-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(O)c1 ZINC000282255804 1128132709 /nfs/dbraw/zinc/13/27/09/1128132709.db2.gz JSGZROQEBJYBPH-RBSFLKMASA-N 1 2 327.428 3.574 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000063706464 1128152928 /nfs/dbraw/zinc/15/29/28/1128152928.db2.gz ZZUPBTAIMRRMBA-UHFFFAOYSA-N 1 2 325.456 3.540 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000671749344 1128198992 /nfs/dbraw/zinc/19/89/92/1128198992.db2.gz MTRAYYKXSDRPCO-KRWDZBQOSA-N 1 2 336.439 3.585 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000671749335 1128199023 /nfs/dbraw/zinc/19/90/23/1128199023.db2.gz LLDWVFFWSWEJTK-MRXNPFEDSA-N 1 2 325.437 3.504 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000065602975 1128195409 /nfs/dbraw/zinc/19/54/09/1128195409.db2.gz MIVZRIIPUSTEQK-UHFFFAOYSA-N 1 2 328.456 3.502 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000065602975 1128195411 /nfs/dbraw/zinc/19/54/11/1128195411.db2.gz MIVZRIIPUSTEQK-UHFFFAOYSA-N 1 2 328.456 3.502 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000065607319 1128195903 /nfs/dbraw/zinc/19/59/03/1128195903.db2.gz LNJZJNDIZFTWPI-CHWSQXEVSA-N 1 2 334.847 3.939 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000065607319 1128195905 /nfs/dbraw/zinc/19/59/05/1128195905.db2.gz LNJZJNDIZFTWPI-CHWSQXEVSA-N 1 2 334.847 3.939 20 0 EHADLO O=C(CCn1cc[nH+]c1)NCC1(c2ccccc2)CCCCCC1 ZINC000066684794 1128223423 /nfs/dbraw/zinc/22/34/23/1128223423.db2.gz USCUUJPHKHFGSA-UHFFFAOYSA-N 1 2 325.456 3.682 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)[nH+]c12 ZINC000671757242 1128235993 /nfs/dbraw/zinc/23/59/93/1128235993.db2.gz DZXHHFWIYDCAQY-YTQUADARSA-N 1 2 339.483 3.908 20 0 EHADLO CCC[C@H](C)CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001687461800 1128239597 /nfs/dbraw/zinc/23/95/97/1128239597.db2.gz SURRAZLTGHCRCZ-JKSUJKDBSA-N 1 2 337.533 3.963 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401053 1128240736 /nfs/dbraw/zinc/24/07/36/1128240736.db2.gz WOPQPMFZOFLDTI-SJCJKPOMSA-N 1 2 349.862 3.792 20 0 EHADLO O=C(Cc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523351 1128242934 /nfs/dbraw/zinc/24/29/34/1128242934.db2.gz AOYVXPDXSLOGKC-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)nc(-c2ccccn2)n1 ZINC000068662220 1128271310 /nfs/dbraw/zinc/27/13/10/1128271310.db2.gz MNLAYDWWGRZYBB-UHFFFAOYSA-N 1 2 346.438 3.976 20 0 EHADLO CCCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890613 1128296886 /nfs/dbraw/zinc/29/68/86/1128296886.db2.gz VZJWHMVPIOROME-UHFFFAOYSA-N 1 2 337.826 3.895 20 0 EHADLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000073809584 1128329351 /nfs/dbraw/zinc/32/93/51/1128329351.db2.gz RYIJHZJHLQMILM-SFHVURJKSA-N 1 2 342.487 3.719 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073859563 1128329600 /nfs/dbraw/zinc/32/96/00/1128329600.db2.gz RNLBIUQOABWXJQ-HXUWFJFHSA-N 1 2 331.419 3.813 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)Cc2cccs2)c1 ZINC000074253380 1128337471 /nfs/dbraw/zinc/33/74/71/1128337471.db2.gz PSBSMZUGRXDUKQ-CQSZACIVSA-N 1 2 325.437 3.603 20 0 EHADLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000073448312 1128347469 /nfs/dbraw/zinc/34/74/69/1128347469.db2.gz UKVTVJYKGFDKDE-UHFFFAOYSA-N 1 2 331.372 3.688 20 0 EHADLO COC1CCC(Nc2c[nH+]c3c(F)cc(Br)cn23)CC1 ZINC001168610281 1128353723 /nfs/dbraw/zinc/35/37/23/1128353723.db2.gz AOKIXGAMIPGAHF-UHFFFAOYSA-N 1 2 342.212 3.605 20 0 EHADLO CCc1cc(C(=O)NCCc2c[nH+]cn2C)sc1-c1ccccc1 ZINC000654994192 1128371871 /nfs/dbraw/zinc/37/18/71/1128371871.db2.gz ARQCFJPZISOWTI-UHFFFAOYSA-N 1 2 339.464 3.684 20 0 EHADLO Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N)c(C)[nH+]1 ZINC000186335121 1128395260 /nfs/dbraw/zinc/39/52/60/1128395260.db2.gz XUDLJQWHZKNQRH-UHFFFAOYSA-N 1 2 345.859 3.616 20 0 EHADLO OC[C@]12CCC[C@H]1CN(c1cc[nH+]c3c(Br)cccc13)C2 ZINC000624669428 1128424025 /nfs/dbraw/zinc/42/40/25/1128424025.db2.gz KHHKPUSMENBHMJ-YVEFUNNKSA-N 1 2 347.256 3.596 20 0 EHADLO CO[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921657702 1128438664 /nfs/dbraw/zinc/43/86/64/1128438664.db2.gz ZASNZGPDZVRLFY-RDJZCZTQSA-N 1 2 327.428 3.837 20 0 EHADLO Clc1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000624696844 1128455471 /nfs/dbraw/zinc/45/54/71/1128455471.db2.gz HBRZGVPMFVFROM-UHFFFAOYSA-N 1 2 332.860 3.600 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)Nc1cccc(F)c1F ZINC001116363130 1128493051 /nfs/dbraw/zinc/49/30/51/1128493051.db2.gz CDWHHLZHBQJIBF-ZDUSSCGKSA-N 1 2 338.427 3.563 20 0 EHADLO CC1CCC(C)(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000354787745 1128531786 /nfs/dbraw/zinc/53/17/86/1128531786.db2.gz LGFJVBOUOUZNCC-KOHRHEQBSA-N 1 2 332.492 3.526 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)ccn1 ZINC000347639254 1128503080 /nfs/dbraw/zinc/50/30/80/1128503080.db2.gz KEDBEDNABFCJAL-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000465713019 1128579769 /nfs/dbraw/zinc/57/97/69/1128579769.db2.gz AWPBESBWOUDVRR-HUUCEWRRSA-N 1 2 344.434 3.732 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000353574758 1128596906 /nfs/dbraw/zinc/59/69/06/1128596906.db2.gz MUJDAKNAIDRFBL-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000353574758 1128596908 /nfs/dbraw/zinc/59/69/08/1128596908.db2.gz MUJDAKNAIDRFBL-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO Cn1cncc1C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000353580231 1128598650 /nfs/dbraw/zinc/59/86/50/1128598650.db2.gz WQTYCJGNSZRSHH-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO C=C/C(C)=C\CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000672072626 1128667409 /nfs/dbraw/zinc/66/74/09/1128667409.db2.gz JRUOHHDZOZSCQF-WCSRMQSCSA-N 1 2 332.875 3.815 20 0 EHADLO C[N@H+](Cc1noc2c1CCCC2)Cc1ccc(Br)cc1 ZINC000108850558 1128667941 /nfs/dbraw/zinc/66/79/41/1128667941.db2.gz UHSUHPCKCYIDLB-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO C[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(Br)cc1 ZINC000108850558 1128667942 /nfs/dbraw/zinc/66/79/42/1128667942.db2.gz UHSUHPCKCYIDLB-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO Cc1ccc(C)c(OCCCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000265746590 1128753872 /nfs/dbraw/zinc/75/38/72/1128753872.db2.gz IDCJWUBLLWMXCD-KRWDZBQOSA-N 1 2 343.471 3.502 20 0 EHADLO CCC(CC)c1cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)on1 ZINC000921784530 1128759528 /nfs/dbraw/zinc/75/95/28/1128759528.db2.gz CXISWADVBUHLTP-UHFFFAOYSA-N 1 2 329.444 3.570 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1nc(C(F)(F)F)cs1 ZINC000921807850 1128780261 /nfs/dbraw/zinc/78/02/61/1128780261.db2.gz RGSWYGMXULQADM-SNVBAGLBSA-N 1 2 336.358 3.569 20 0 EHADLO COCC[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CC1 ZINC000338734263 1128783998 /nfs/dbraw/zinc/78/39/98/1128783998.db2.gz MMZHDHLDUIQUFJ-UHFFFAOYSA-N 1 2 342.226 3.654 20 0 EHADLO COCC[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CC1 ZINC000338734263 1128784002 /nfs/dbraw/zinc/78/40/02/1128784002.db2.gz MMZHDHLDUIQUFJ-UHFFFAOYSA-N 1 2 342.226 3.654 20 0 EHADLO CN(C(=O)C[N@H+](C)Cc1ccsc1)[C@@H]1CCCc2ccccc21 ZINC000061800585 1128791965 /nfs/dbraw/zinc/79/19/65/1128791965.db2.gz PRUWENFXXHTHIX-GOSISDBHSA-N 1 2 328.481 3.716 20 0 EHADLO CN(C(=O)C[N@@H+](C)Cc1ccsc1)[C@@H]1CCCc2ccccc21 ZINC000061800585 1128791968 /nfs/dbraw/zinc/79/19/68/1128791968.db2.gz PRUWENFXXHTHIX-GOSISDBHSA-N 1 2 328.481 3.716 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000921831565 1128795885 /nfs/dbraw/zinc/79/58/85/1128795885.db2.gz XKETVGHVHFGNDD-UHFFFAOYSA-N 1 2 344.278 3.617 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cnccc2C)CC1 ZINC000542924164 1128847410 /nfs/dbraw/zinc/84/74/10/1128847410.db2.gz FZZOFVGMTQJSME-UHFFFAOYSA-N 1 2 348.450 3.582 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000007018216 1128843088 /nfs/dbraw/zinc/84/30/88/1128843088.db2.gz OXXQGXRYLWEIES-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000007018216 1128843091 /nfs/dbraw/zinc/84/30/91/1128843091.db2.gz OXXQGXRYLWEIES-UHFFFAOYSA-N 1 2 326.440 3.773 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000672221471 1128856147 /nfs/dbraw/zinc/85/61/47/1128856147.db2.gz XTYJUQSIWWGMBJ-INIZCTEOSA-N 1 2 349.434 3.960 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000672221472 1128856261 /nfs/dbraw/zinc/85/62/61/1128856261.db2.gz XTYJUQSIWWGMBJ-MRXNPFEDSA-N 1 2 349.434 3.960 20 0 EHADLO C[NH2+]C1(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCC1 ZINC001648788822 1120021953 /nfs/dbraw/zinc/02/19/53/1120021953.db2.gz BAZVNYRTGFEMKW-UHFFFAOYSA-N 1 2 344.842 3.585 20 0 EHADLO O=C(CCCC1CC1)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001648893948 1120061740 /nfs/dbraw/zinc/06/17/40/1120061740.db2.gz KWLYHWWJSPLXCC-UHFFFAOYSA-N 1 2 345.874 3.824 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c(C)[nH+]1 ZINC001670649132 1120095843 /nfs/dbraw/zinc/09/58/43/1120095843.db2.gz UMWWKWDHNKIQSC-QWHCGFSZSA-N 1 2 345.365 3.628 20 0 EHADLO CC(C)[C@H]1CCCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687360857 1120175967 /nfs/dbraw/zinc/17/59/67/1120175967.db2.gz KYEMHCFDIPMJMF-RTBURBONSA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)[C@H]1CCCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687360857 1120175971 /nfs/dbraw/zinc/17/59/71/1120175971.db2.gz KYEMHCFDIPMJMF-RTBURBONSA-N 1 2 329.488 3.783 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001687360955 1120176079 /nfs/dbraw/zinc/17/60/79/1120176079.db2.gz MJNCOOVHKRHDNR-SFHVURJKSA-N 1 2 331.504 3.887 20 0 EHADLO CC(C)CN(CC(C)(C)C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001687360955 1120176083 /nfs/dbraw/zinc/17/60/83/1120176083.db2.gz MJNCOOVHKRHDNR-SFHVURJKSA-N 1 2 331.504 3.887 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)cc2c1C ZINC001648951863 1120254296 /nfs/dbraw/zinc/25/42/96/1120254296.db2.gz SLDACQJHVASIQJ-FQEVSTJZSA-N 1 2 333.435 3.701 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)cc2c1C ZINC001648951863 1120254299 /nfs/dbraw/zinc/25/42/99/1120254299.db2.gz SLDACQJHVASIQJ-FQEVSTJZSA-N 1 2 333.435 3.701 20 0 EHADLO CC[C@@H](C)c1nnc(N2CCCCCC2)n1Cc1c[nH+]ccc1OC ZINC001708504211 1120299829 /nfs/dbraw/zinc/29/98/29/1120299829.db2.gz ZNWXAZYVMJRBDT-OAHLLOKOSA-N 1 2 343.475 3.624 20 0 EHADLO COc1ccc(/C(C)=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000175244247 1120346595 /nfs/dbraw/zinc/34/65/95/1120346595.db2.gz TZGBHDBSWHMRJL-DTQAZKPQSA-N 1 2 347.418 3.601 20 0 EHADLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000185295992 1120407753 /nfs/dbraw/zinc/40/77/53/1120407753.db2.gz QWVAESAGOXMUJC-MOPGFXCFSA-N 1 2 342.389 3.783 20 0 EHADLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000185295992 1120407756 /nfs/dbraw/zinc/40/77/56/1120407756.db2.gz QWVAESAGOXMUJC-MOPGFXCFSA-N 1 2 342.389 3.783 20 0 EHADLO COc1ccccc1/C=C/C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000185609507 1120421193 /nfs/dbraw/zinc/42/11/93/1120421193.db2.gz ROOCXPLPMSNCNC-YERXGYGTSA-N 1 2 343.496 3.544 20 0 EHADLO Cn1nc(C[NH2+]Cc2cc(Br)ccc2F)c2ccccc21 ZINC000112340255 1128919612 /nfs/dbraw/zinc/91/96/12/1128919612.db2.gz VISKNPBWPWNJGH-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO C[N@H+](Cc1cn2ccccc2n1)Cc1ccc(Br)c(F)c1 ZINC000494237654 1120512614 /nfs/dbraw/zinc/51/26/14/1120512614.db2.gz MEMWSMFKEWJBQO-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(Br)c(F)c1 ZINC000494237654 1120512616 /nfs/dbraw/zinc/51/26/16/1120512616.db2.gz MEMWSMFKEWJBQO-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCO3)CCO2)cc1Cl ZINC000189071222 1120533251 /nfs/dbraw/zinc/53/32/51/1120533251.db2.gz IRURBVVDSKSJLJ-BBRMVZONSA-N 1 2 330.255 3.936 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCO3)CCO2)cc1Cl ZINC000189071222 1120533255 /nfs/dbraw/zinc/53/32/55/1120533255.db2.gz IRURBVVDSKSJLJ-BBRMVZONSA-N 1 2 330.255 3.936 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1ccccc1F ZINC000192256707 1120727800 /nfs/dbraw/zinc/72/78/00/1120727800.db2.gz XVNNDQCJJOPOLX-HNNXBMFYSA-N 1 2 331.435 3.627 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000780578872 1120786513 /nfs/dbraw/zinc/78/65/13/1120786513.db2.gz ALGHINBXGCNOBW-QWRGUYRKSA-N 1 2 326.322 3.529 20 0 EHADLO CC(C)Cc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393352415 1120801648 /nfs/dbraw/zinc/80/16/48/1120801648.db2.gz ZIIGDZVDNNZNIE-UHFFFAOYSA-N 1 2 336.277 3.671 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)NCCNc2cccc[nH+]2)c1 ZINC000064547535 1128941786 /nfs/dbraw/zinc/94/17/86/1128941786.db2.gz JFLDTEBBZKFGBZ-UHFFFAOYSA-N 1 2 342.443 3.740 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193971253 1120812889 /nfs/dbraw/zinc/81/28/89/1120812889.db2.gz NNBQXLRZFPVLDY-APWZRJJASA-N 1 2 340.471 3.652 20 0 EHADLO OC[C@]1(F)CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000670111364 1120880289 /nfs/dbraw/zinc/88/02/89/1120880289.db2.gz TZLHZSHZQWHASO-SFHVURJKSA-N 1 2 337.341 3.663 20 0 EHADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000670111364 1120880292 /nfs/dbraw/zinc/88/02/92/1120880292.db2.gz TZLHZSHZQWHASO-SFHVURJKSA-N 1 2 337.341 3.663 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000542519742 1120893075 /nfs/dbraw/zinc/89/30/75/1120893075.db2.gz JLWYOGBQSWUIKX-XLIONFOSSA-N 1 2 345.870 3.707 20 0 EHADLO O[C@H](CCc1ccccc1)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000542519742 1120893080 /nfs/dbraw/zinc/89/30/80/1120893080.db2.gz JLWYOGBQSWUIKX-XLIONFOSSA-N 1 2 345.870 3.707 20 0 EHADLO CCn1cccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000494997826 1120928846 /nfs/dbraw/zinc/92/88/46/1120928846.db2.gz PYJTWWZQCXHMRN-UHFFFAOYSA-N 1 2 340.254 3.885 20 0 EHADLO CCn1cccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000494997826 1120928847 /nfs/dbraw/zinc/92/88/47/1120928847.db2.gz PYJTWWZQCXHMRN-UHFFFAOYSA-N 1 2 340.254 3.885 20 0 EHADLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)cnc1Br ZINC000228837406 1120940033 /nfs/dbraw/zinc/94/00/33/1120940033.db2.gz MQINRLFUBQBNIY-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO CCCCCn1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c(C)n1 ZINC000495061499 1120943754 /nfs/dbraw/zinc/94/37/54/1120943754.db2.gz CTMILKUBZQJFDR-GOSISDBHSA-N 1 2 344.507 3.911 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000495081370 1120948487 /nfs/dbraw/zinc/94/84/87/1120948487.db2.gz TUKRJBBNROTZIO-CQSZACIVSA-N 1 2 338.517 3.895 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000495081370 1120948492 /nfs/dbraw/zinc/94/84/92/1120948492.db2.gz TUKRJBBNROTZIO-CQSZACIVSA-N 1 2 338.517 3.895 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)c1 ZINC000761830750 1120974923 /nfs/dbraw/zinc/97/49/23/1120974923.db2.gz IFAUGUVWNXBNEM-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)c1 ZINC000761830750 1120974928 /nfs/dbraw/zinc/97/49/28/1120974928.db2.gz IFAUGUVWNXBNEM-SFHVURJKSA-N 1 2 334.419 3.627 20 0 EHADLO c1cn(-c2ccc(-c3nc(COCc4ccccc4)no3)cc2)c[nH+]1 ZINC000761892897 1121004084 /nfs/dbraw/zinc/00/40/84/1121004084.db2.gz MNMZVPCJDLXIAY-UHFFFAOYSA-N 1 2 332.363 3.639 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(-c2ccccc2F)c1=S ZINC000762138859 1121126174 /nfs/dbraw/zinc/12/61/74/1121126174.db2.gz NIYALTIKHGPGBD-ZDUSSCGKSA-N 1 2 332.448 3.764 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ncn(-c2ccccc2F)c1=S ZINC000762138859 1121126176 /nfs/dbraw/zinc/12/61/76/1121126176.db2.gz NIYALTIKHGPGBD-ZDUSSCGKSA-N 1 2 332.448 3.764 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)n1 ZINC000921952619 1128966024 /nfs/dbraw/zinc/96/60/24/1128966024.db2.gz KDTLCDUVGHBDRW-UHFFFAOYSA-N 1 2 334.851 3.803 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000171654782 1121188302 /nfs/dbraw/zinc/18/83/02/1121188302.db2.gz GBGYCNLNOBHTEZ-GFCCVEGCSA-N 1 2 333.386 3.748 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000171654782 1121188304 /nfs/dbraw/zinc/18/83/04/1121188304.db2.gz GBGYCNLNOBHTEZ-GFCCVEGCSA-N 1 2 333.386 3.748 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000762259683 1121223092 /nfs/dbraw/zinc/22/30/92/1121223092.db2.gz FREPSEGESCQHBD-FQEVSTJZSA-N 1 2 349.434 3.651 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2c(cccc2F)s1 ZINC000762260258 1121223156 /nfs/dbraw/zinc/22/31/56/1121223156.db2.gz KFCKRCQLPRBUHI-UHFFFAOYSA-N 1 2 325.368 3.618 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSC[C@H]1CC2(CC2)C(=O)O1 ZINC000762408720 1121288009 /nfs/dbraw/zinc/28/80/09/1121288009.db2.gz SKSQYQRGTKOZMB-MRXNPFEDSA-N 1 2 328.437 3.510 20 0 EHADLO Cc1ccc(-n2cnnc2SCc2cc[nH+]c(N(C)C)c2)c(C)c1 ZINC000762470767 1121314895 /nfs/dbraw/zinc/31/48/95/1121314895.db2.gz WINCWMHMJXEEET-UHFFFAOYSA-N 1 2 339.468 3.637 20 0 EHADLO Cc1ccc(NC(=O)c2cc3c(ccnc3Cl)s2)c(N(C)C)[nH+]1 ZINC001127365810 1121400761 /nfs/dbraw/zinc/40/07/61/1121400761.db2.gz PKZAIOVKVVMPAQ-UHFFFAOYSA-N 1 2 346.843 3.971 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)CCc2ccccc2F)c(N(C)C)[nH+]1 ZINC001127365841 1121401069 /nfs/dbraw/zinc/40/10/69/1121401069.db2.gz PZDSTCPQBQLAQG-ZDUSSCGKSA-N 1 2 329.419 3.803 20 0 EHADLO CCCCn1c(S[C@H](C)c2ncccn2)nnc1[C@H](CC)[NH+](C)C ZINC000915471434 1121422408 /nfs/dbraw/zinc/42/24/08/1121422408.db2.gz JKQKKFGDDISAFI-KGLIPLIRSA-N 1 2 348.520 3.734 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Br)ncc1F ZINC000762764052 1121438851 /nfs/dbraw/zinc/43/88/51/1121438851.db2.gz AQTSBRGUGWXLCJ-QMMMGPOBSA-N 1 2 344.615 3.882 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762763646 1121439242 /nfs/dbraw/zinc/43/92/42/1121439242.db2.gz VHGOZZQKSIKRKD-YUMQZZPRSA-N 1 2 342.212 4.000 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(C2CC2)cn1 ZINC000888277313 1121442904 /nfs/dbraw/zinc/44/29/04/1121442904.db2.gz DATVRWJTFDIUNL-QGZVFWFLSA-N 1 2 332.407 3.843 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1F ZINC001235730249 1121672700 /nfs/dbraw/zinc/67/27/00/1121672700.db2.gz YWUFXYBFBIAYMY-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1F ZINC001235730249 1121672704 /nfs/dbraw/zinc/67/27/04/1121672704.db2.gz YWUFXYBFBIAYMY-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(Cc4ccccc4)CC3)[nH+]c12 ZINC000041291948 1121701975 /nfs/dbraw/zinc/70/19/75/1121701975.db2.gz WAXMTEISRBWVDM-UHFFFAOYSA-N 1 2 347.462 3.667 20 0 EHADLO CC(C)n1nccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000499556120 1129003817 /nfs/dbraw/zinc/00/38/17/1129003817.db2.gz YOKDZFNKMMKNSQ-UHFFFAOYSA-N 1 2 346.450 3.842 20 0 EHADLO CC(C)n1nccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000499556120 1129003821 /nfs/dbraw/zinc/00/38/21/1129003821.db2.gz YOKDZFNKMMKNSQ-UHFFFAOYSA-N 1 2 346.450 3.842 20 0 EHADLO Cc1ccoc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122572 1121741584 /nfs/dbraw/zinc/74/15/84/1121741584.db2.gz MTQCYQRJHLFLKY-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1ccoc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122572 1121741589 /nfs/dbraw/zinc/74/15/89/1121741589.db2.gz MTQCYQRJHLFLKY-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO COC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000054256837 1121746624 /nfs/dbraw/zinc/74/66/24/1121746624.db2.gz AMKJMBGKPMLKJN-UHFFFAOYSA-N 1 2 332.469 3.641 20 0 EHADLO CCOc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000054834983 1121779803 /nfs/dbraw/zinc/77/98/03/1121779803.db2.gz PAVICNXNCQGWRG-UHFFFAOYSA-N 1 2 345.468 3.780 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000356802467 1129010059 /nfs/dbraw/zinc/01/00/59/1129010059.db2.gz PAFJNGDDJDGCNQ-GOSISDBHSA-N 1 2 337.448 3.570 20 0 EHADLO CCCCCn1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000347461674 1121830493 /nfs/dbraw/zinc/83/04/93/1121830493.db2.gz YJCGZVUAPPEXOT-MRXNPFEDSA-N 1 2 338.455 3.847 20 0 EHADLO Clc1cccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)c1 ZINC000055530977 1121845608 /nfs/dbraw/zinc/84/56/08/1121845608.db2.gz HPPQLPBILNJVIQ-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO C[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000055697087 1121858271 /nfs/dbraw/zinc/85/82/71/1121858271.db2.gz KPVRXDNAZMFTIB-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000763287438 1121943955 /nfs/dbraw/zinc/94/39/55/1121943955.db2.gz NNMKTLDSIIAIJJ-UHFFFAOYSA-N 1 2 335.407 3.670 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444193127 1121971429 /nfs/dbraw/zinc/97/14/29/1121971429.db2.gz HTWQTLJTZMVMND-BRWVUGGUSA-N 1 2 332.492 3.668 20 0 EHADLO Cc1cccc(NC(=S)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000916023829 1122024500 /nfs/dbraw/zinc/02/45/00/1122024500.db2.gz UKGYHRLYTGHAEB-UHFFFAOYSA-N 1 2 340.496 3.867 20 0 EHADLO Oc1cccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000328296679 1122172999 /nfs/dbraw/zinc/17/29/99/1122172999.db2.gz COLFQOMMTYEHQS-KRWDZBQOSA-N 1 2 330.859 3.800 20 0 EHADLO Oc1cccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000328296679 1122173001 /nfs/dbraw/zinc/17/30/01/1122173001.db2.gz COLFQOMMTYEHQS-KRWDZBQOSA-N 1 2 330.859 3.800 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000126134112 1122387104 /nfs/dbraw/zinc/38/71/04/1122387104.db2.gz IJTKGDAKJKAMEZ-CYBMUJFWSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000126134112 1122387109 /nfs/dbraw/zinc/38/71/09/1122387109.db2.gz IJTKGDAKJKAMEZ-CYBMUJFWSA-N 1 2 327.211 3.943 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCCCn2cc(C)cn2)o1 ZINC000126194817 1122394024 /nfs/dbraw/zinc/39/40/24/1122394024.db2.gz LVYQFSIIGTXVCR-SFHVURJKSA-N 1 2 331.460 3.591 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCCCn2cc(C)cn2)o1 ZINC000126194817 1122394031 /nfs/dbraw/zinc/39/40/31/1122394031.db2.gz LVYQFSIIGTXVCR-SFHVURJKSA-N 1 2 331.460 3.591 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000126634212 1122415934 /nfs/dbraw/zinc/41/59/34/1122415934.db2.gz VOUISXOIRRJQHA-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000126634212 1122415938 /nfs/dbraw/zinc/41/59/38/1122415938.db2.gz VOUISXOIRRJQHA-KRWDZBQOSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000126634440 1122416200 /nfs/dbraw/zinc/41/62/00/1122416200.db2.gz VOUISXOIRRJQHA-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000126634440 1122416203 /nfs/dbraw/zinc/41/62/03/1122416203.db2.gz VOUISXOIRRJQHA-QGZVFWFLSA-N 1 2 337.341 3.985 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000127137556 1122464993 /nfs/dbraw/zinc/46/49/93/1122464993.db2.gz BUUDKIQDAODERR-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000127137556 1122464994 /nfs/dbraw/zinc/46/49/94/1122464994.db2.gz BUUDKIQDAODERR-QZTJIDSGSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cccc(C)n2)nnn1-c1cccc(Cl)c1 ZINC000127199747 1122468566 /nfs/dbraw/zinc/46/85/66/1122468566.db2.gz SNBLITRFQWUROC-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127518411 1122490739 /nfs/dbraw/zinc/49/07/39/1122490739.db2.gz JJFDOCBMGMOZEW-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000127518411 1122490740 /nfs/dbraw/zinc/49/07/40/1122490740.db2.gz JJFDOCBMGMOZEW-RTBURBONSA-N 1 2 344.405 3.757 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(Cl)cc1 ZINC000067554930 1122520939 /nfs/dbraw/zinc/52/09/39/1122520939.db2.gz LFXQFALTMGAWOH-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000067694855 1122529132 /nfs/dbraw/zinc/52/91/32/1122529132.db2.gz KLJLGCWHXJCJSJ-FQEVSTJZSA-N 1 2 339.414 3.930 20 0 EHADLO CC1(C)CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000497414675 1122549523 /nfs/dbraw/zinc/54/95/23/1122549523.db2.gz DOMRPWIVFYAYOM-UHFFFAOYSA-N 1 2 343.240 3.649 20 0 EHADLO CC1(C)CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000497414675 1122549526 /nfs/dbraw/zinc/54/95/26/1122549526.db2.gz DOMRPWIVFYAYOM-UHFFFAOYSA-N 1 2 343.240 3.649 20 0 EHADLO Nc1ccc(COC(=O)[C@@H](OCC2CCCC2)c2ccccc2)c[nH+]1 ZINC000923757936 1122680295 /nfs/dbraw/zinc/68/02/95/1122680295.db2.gz DWOSXNVLOGQANV-IBGZPJMESA-N 1 2 340.423 3.655 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)c(C)o1 ZINC000128878955 1122685613 /nfs/dbraw/zinc/68/56/13/1122685613.db2.gz VAQXARAKEYSXDT-UHFFFAOYSA-N 1 2 341.455 3.670 20 0 EHADLO O=C(CCC1CCCCC1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000917973483 1122722396 /nfs/dbraw/zinc/72/23/96/1122722396.db2.gz UBXSHPAYABRCEY-OAHLLOKOSA-N 1 2 347.330 3.685 20 0 EHADLO O=C1[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CCN1c1ccccc1 ZINC000068946249 1122730550 /nfs/dbraw/zinc/73/05/50/1122730550.db2.gz YZEJEPVSDGFAMI-AZUAARDMSA-N 1 2 332.403 3.764 20 0 EHADLO Nc1ccc2c(c1)CC[N@@H+](Cc1c(F)cccc1Br)C2 ZINC001236104599 1122843830 /nfs/dbraw/zinc/84/38/30/1122843830.db2.gz CRBMHJQKDAISIR-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1ccc2c(c1)CC[N@H+](Cc1c(F)cccc1Br)C2 ZINC001236104599 1122843833 /nfs/dbraw/zinc/84/38/33/1122843833.db2.gz CRBMHJQKDAISIR-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO CC[C@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000444887467 1122868168 /nfs/dbraw/zinc/86/81/68/1122868168.db2.gz NFCXOQLGXMYWND-AEFFLSMTSA-N 1 2 340.471 3.503 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000130060489 1122875664 /nfs/dbraw/zinc/87/56/64/1122875664.db2.gz CSKHNXWWVWBKMB-KRWDZBQOSA-N 1 2 342.508 3.976 20 0 EHADLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2sccc2C1 ZINC000010094361 1122900788 /nfs/dbraw/zinc/90/07/88/1122900788.db2.gz LRSQPULHMAHWNZ-XXWNAHEMSA-N 1 2 344.524 3.580 20 0 EHADLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2sccc2C1 ZINC000010094361 1122900793 /nfs/dbraw/zinc/90/07/93/1122900793.db2.gz LRSQPULHMAHWNZ-XXWNAHEMSA-N 1 2 344.524 3.580 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000498558114 1122973358 /nfs/dbraw/zinc/97/33/58/1122973358.db2.gz RITZOFRJVXLWBM-IRXDYDNUSA-N 1 2 329.488 3.905 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(Br)o2)c(OC)c1 ZINC000130673310 1122985552 /nfs/dbraw/zinc/98/55/52/1122985552.db2.gz MAJFZYCPTWHTDA-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)c(OC)c1 ZINC000130673310 1122985554 /nfs/dbraw/zinc/98/55/54/1122985554.db2.gz MAJFZYCPTWHTDA-UHFFFAOYSA-N 1 2 340.217 3.691 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000113950038 1129094278 /nfs/dbraw/zinc/09/42/78/1129094278.db2.gz RPKXEWGRDJGPPS-SCZZXKLOSA-N 1 2 346.456 3.618 20 0 EHADLO CC(C)(C)c1ncc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cn1 ZINC000556598559 1123052584 /nfs/dbraw/zinc/05/25/84/1123052584.db2.gz PTQBIOBKXTVIBE-UHFFFAOYSA-N 1 2 335.455 3.749 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000556626742 1123062235 /nfs/dbraw/zinc/06/22/35/1123062235.db2.gz JLKMEHWHPSHJQA-AWEZNQCLSA-N 1 2 326.843 3.702 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000556626742 1123062240 /nfs/dbraw/zinc/06/22/40/1123062240.db2.gz JLKMEHWHPSHJQA-AWEZNQCLSA-N 1 2 326.843 3.702 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCc4ccc(C)c(F)c43)[nH+]c12 ZINC000556803935 1123126606 /nfs/dbraw/zinc/12/66/06/1123126606.db2.gz QXCKYLKHEVVVBZ-UHFFFAOYSA-N 1 2 337.398 3.612 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000072773353 1123156226 /nfs/dbraw/zinc/15/62/26/1123156226.db2.gz WSIYYQRHGRNTOR-KSSFIOAISA-N 1 2 342.414 3.856 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000072773353 1123156227 /nfs/dbraw/zinc/15/62/27/1123156227.db2.gz WSIYYQRHGRNTOR-KSSFIOAISA-N 1 2 342.414 3.856 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168701660 1129104116 /nfs/dbraw/zinc/10/41/16/1129104116.db2.gz SLVGBEQLHQWZIY-APWZRJJASA-N 1 2 343.854 3.571 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000073628734 1123213005 /nfs/dbraw/zinc/21/30/05/1123213005.db2.gz IWDWJJONMIHYQO-HXUWFJFHSA-N 1 2 340.471 3.653 20 0 EHADLO CCCOc1cccc2c(N[C@H](C)CO[C@H]3CCOC3)cc[nH+]c12 ZINC000499138987 1123243674 /nfs/dbraw/zinc/24/36/74/1123243674.db2.gz LGGBIGAOAGLEHR-CABCVRRESA-N 1 2 330.428 3.630 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1Cl ZINC000132664304 1123272092 /nfs/dbraw/zinc/27/20/92/1123272092.db2.gz CVKRCJWPTMKTDX-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1Cl ZINC000132664304 1123272095 /nfs/dbraw/zinc/27/20/95/1123272095.db2.gz CVKRCJWPTMKTDX-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO CCn1cnnc1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000065931947 1129112552 /nfs/dbraw/zinc/11/25/52/1129112552.db2.gz IZFVSKMIRQBEDM-UHFFFAOYSA-N 1 2 344.365 3.658 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)cc1F ZINC000075710715 1123412807 /nfs/dbraw/zinc/41/28/07/1123412807.db2.gz ZVXSKRGYFCOAPQ-FQEVSTJZSA-N 1 2 345.389 3.516 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CCO2)cc1F ZINC000075710715 1123412810 /nfs/dbraw/zinc/41/28/10/1123412810.db2.gz ZVXSKRGYFCOAPQ-FQEVSTJZSA-N 1 2 345.389 3.516 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997937 1123452763 /nfs/dbraw/zinc/45/27/63/1123452763.db2.gz WLYYVGFHOXQBBW-GFCCVEGCSA-N 1 2 344.377 3.687 20 0 EHADLO C[C@H](Cc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000921076289 1123461985 /nfs/dbraw/zinc/46/19/85/1123461985.db2.gz NJYITYUVJZXSMG-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO Cc1ccc(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000921152729 1123473010 /nfs/dbraw/zinc/47/30/10/1123473010.db2.gz DRAGMVANKXQYEQ-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828350580 1123481781 /nfs/dbraw/zinc/48/17/81/1123481781.db2.gz ADGZSNNIIZSZPE-CQSZACIVSA-N 1 2 335.835 3.518 20 0 EHADLO COc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1OC ZINC000134429096 1123522699 /nfs/dbraw/zinc/52/26/99/1123522699.db2.gz GMXWSHCYWHEHSR-UHFFFAOYSA-N 1 2 331.803 3.856 20 0 EHADLO Fc1cc([C@H]2C[N@H+](CC3CCOCC3)CCO2)c(Cl)cc1Cl ZINC000171829149 1123533169 /nfs/dbraw/zinc/53/31/69/1123533169.db2.gz SZSOFINZVRHUIR-MRXNPFEDSA-N 1 2 348.245 3.932 20 0 EHADLO Fc1cc([C@H]2C[N@@H+](CC3CCOCC3)CCO2)c(Cl)cc1Cl ZINC000171829149 1123533174 /nfs/dbraw/zinc/53/31/74/1123533174.db2.gz SZSOFINZVRHUIR-MRXNPFEDSA-N 1 2 348.245 3.932 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)Cn1cc[nH+]c1 ZINC000135448690 1123616798 /nfs/dbraw/zinc/61/67/98/1123616798.db2.gz MSUAQLSTARGEGV-ZDUSSCGKSA-N 1 2 347.846 3.534 20 0 EHADLO CC(C)c1ccc(OCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000064440734 1123618112 /nfs/dbraw/zinc/61/81/12/1123618112.db2.gz HVWPPSWOMZXZFM-SFHVURJKSA-N 1 2 343.471 3.616 20 0 EHADLO COC(=O)c1ccc(COc2cc(C)[nH+]c3ccc(OC)cc32)cc1 ZINC000195581060 1123630390 /nfs/dbraw/zinc/63/03/90/1123630390.db2.gz UJIIPGQUPRDGGQ-UHFFFAOYSA-N 1 2 337.375 3.917 20 0 EHADLO C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1nc(Cc2ccccc2)no1 ZINC000542622301 1123641460 /nfs/dbraw/zinc/64/14/60/1123641460.db2.gz KLYOYOIPPQLLES-BQFCYCMXSA-N 1 2 343.471 3.906 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1F ZINC000135889883 1123652154 /nfs/dbraw/zinc/65/21/54/1123652154.db2.gz XNHWERQHWKVBLU-GFCCVEGCSA-N 1 2 327.334 3.893 20 0 EHADLO COc1ccc(F)cc1CN1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000195660902 1123706677 /nfs/dbraw/zinc/70/66/77/1123706677.db2.gz QHPPUWUITCJAEY-OAHLLOKOSA-N 1 2 346.421 3.852 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000079877123 1123728888 /nfs/dbraw/zinc/72/88/88/1123728888.db2.gz UQWPDYKXNHZMDT-QGZVFWFLSA-N 1 2 349.521 3.921 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000079877123 1123728891 /nfs/dbraw/zinc/72/88/91/1123728891.db2.gz UQWPDYKXNHZMDT-QGZVFWFLSA-N 1 2 349.521 3.921 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)CC1 ZINC000245471311 1123844502 /nfs/dbraw/zinc/84/45/02/1123844502.db2.gz XLOZVZOAVWNEPR-ZSHCYNCHSA-N 1 2 333.501 3.750 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc2[nH]ccc21 ZINC000081583802 1123851385 /nfs/dbraw/zinc/85/13/85/1123851385.db2.gz RFAMKGBIERSZKM-UHFFFAOYSA-N 1 2 340.452 3.863 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000245525320 1123862839 /nfs/dbraw/zinc/86/28/39/1123862839.db2.gz BDFLTTPBRNEPQO-FOIQADDNSA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000245525320 1123862845 /nfs/dbraw/zinc/86/28/45/1123862845.db2.gz BDFLTTPBRNEPQO-FOIQADDNSA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000081799966 1123904982 /nfs/dbraw/zinc/90/49/82/1123904982.db2.gz OYXJPAGLMNMQKH-IRXDYDNUSA-N 1 2 327.472 3.953 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245653500 1123910592 /nfs/dbraw/zinc/91/05/92/1123910592.db2.gz DBFBQBNJPPVJQY-QAETUUGQSA-N 1 2 332.488 3.917 20 0 EHADLO CCCN(CCC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664880 1123915469 /nfs/dbraw/zinc/91/54/69/1123915469.db2.gz IPRYEXKSSGVZMR-SJORKVTESA-N 1 2 339.430 3.542 20 0 EHADLO CCCN(CCC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245664880 1123915472 /nfs/dbraw/zinc/91/54/72/1123915472.db2.gz IPRYEXKSSGVZMR-SJORKVTESA-N 1 2 339.430 3.542 20 0 EHADLO C[N@H+](Cc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180056840 1123929980 /nfs/dbraw/zinc/92/99/80/1123929980.db2.gz JHMXBKIMIYTVEZ-GOSISDBHSA-N 1 2 328.843 3.573 20 0 EHADLO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180056840 1123929983 /nfs/dbraw/zinc/92/99/83/1123929983.db2.gz JHMXBKIMIYTVEZ-GOSISDBHSA-N 1 2 328.843 3.573 20 0 EHADLO Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245744080 1123943260 /nfs/dbraw/zinc/94/32/60/1123943260.db2.gz FLXFQKDZWSVPSF-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245744080 1123943263 /nfs/dbraw/zinc/94/32/63/1123943263.db2.gz FLXFQKDZWSVPSF-ROUUACIJSA-N 1 2 345.393 3.840 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000245851749 1123961148 /nfs/dbraw/zinc/96/11/48/1123961148.db2.gz MKQWXZYIMZHKTO-BBRMVZONSA-N 1 2 333.501 3.741 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000245851749 1123961154 /nfs/dbraw/zinc/96/11/54/1123961154.db2.gz MKQWXZYIMZHKTO-BBRMVZONSA-N 1 2 333.501 3.741 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1nc(C2CC2)cs1)c1ccccc1 ZINC000180274482 1123975243 /nfs/dbraw/zinc/97/52/43/1123975243.db2.gz DAINSHLTXPWVDX-QGZVFWFLSA-N 1 2 330.453 3.757 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nc(C2CC2)cs1)c1ccccc1 ZINC000180274482 1123975244 /nfs/dbraw/zinc/97/52/44/1123975244.db2.gz DAINSHLTXPWVDX-QGZVFWFLSA-N 1 2 330.453 3.757 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246059640 1124009705 /nfs/dbraw/zinc/00/97/05/1124009705.db2.gz BBPCVQHSWMRJOI-IAGOWNOFSA-N 1 2 343.496 3.829 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246059640 1124009710 /nfs/dbraw/zinc/00/97/10/1124009710.db2.gz BBPCVQHSWMRJOI-IAGOWNOFSA-N 1 2 343.496 3.829 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000616749126 1124029844 /nfs/dbraw/zinc/02/98/44/1124029844.db2.gz PPQHZVQHSXGYGA-AWEZNQCLSA-N 1 2 329.387 3.840 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000616749126 1124029847 /nfs/dbraw/zinc/02/98/47/1124029847.db2.gz PPQHZVQHSXGYGA-AWEZNQCLSA-N 1 2 329.387 3.840 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2c1 ZINC000616794990 1124035337 /nfs/dbraw/zinc/03/53/37/1124035337.db2.gz WTFAJGFLYVVYKW-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2c1 ZINC000616794990 1124035342 /nfs/dbraw/zinc/03/53/42/1124035342.db2.gz WTFAJGFLYVVYKW-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1nn(C[N@@H+](C)CCC(C)C)c(=S)n1CCc1cccs1 ZINC000068874099 1124047010 /nfs/dbraw/zinc/04/70/10/1124047010.db2.gz ZPLWWYLRKZEBST-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO Cc1nn(C[N@H+](C)CCC(C)C)c(=S)n1CCc1cccs1 ZINC000068874099 1124047016 /nfs/dbraw/zinc/04/70/16/1124047016.db2.gz ZPLWWYLRKZEBST-UHFFFAOYSA-N 1 2 338.546 3.962 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466067183 1129165946 /nfs/dbraw/zinc/16/59/46/1129165946.db2.gz BMAHSUSXRAYHBV-IAGOWNOFSA-N 1 2 330.476 3.542 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617249721 1124456708 /nfs/dbraw/zinc/45/67/08/1124456708.db2.gz XETCFWSIMMTZHK-GFCCVEGCSA-N 1 2 332.835 3.558 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617249496 1124457683 /nfs/dbraw/zinc/45/76/83/1124457683.db2.gz OGXBESCFHMYXRE-UHFFFAOYSA-N 1 2 346.862 3.874 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192018 1124594021 /nfs/dbraw/zinc/59/40/21/1124594021.db2.gz YJJZNIRJQVFSOW-IAGOWNOFSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192018 1124594027 /nfs/dbraw/zinc/59/40/27/1124594027.db2.gz YJJZNIRJQVFSOW-IAGOWNOFSA-N 1 2 338.854 3.921 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247350504 1124606831 /nfs/dbraw/zinc/60/68/31/1124606831.db2.gz YBSQWWGIBFYSEP-RCCFBDPRSA-N 1 2 346.519 3.599 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC001127622368 1124697543 /nfs/dbraw/zinc/69/75/43/1124697543.db2.gz AIBYULOKAYKLOB-INIZCTEOSA-N 1 2 343.858 3.669 20 0 EHADLO C[C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000617667473 1124716242 /nfs/dbraw/zinc/71/62/42/1124716242.db2.gz AUNNQXDSUHILOF-DZFIZOCASA-N 1 2 339.483 3.662 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@H]1C ZINC000248924365 1124719808 /nfs/dbraw/zinc/71/98/08/1124719808.db2.gz XPMGMDIGVHSKRB-ZYHUDNBSSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@H]1C ZINC000248924365 1124719817 /nfs/dbraw/zinc/71/98/17/1124719817.db2.gz XPMGMDIGVHSKRB-ZYHUDNBSSA-N 1 2 346.254 3.633 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734812417 1131279352 /nfs/dbraw/zinc/27/93/52/1131279352.db2.gz OERAYLQBCMBXRY-FUHWJXTLSA-N 1 2 327.472 3.916 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000249046194 1124730743 /nfs/dbraw/zinc/73/07/43/1124730743.db2.gz NSMAKBUGKBIBRS-RJIBLYRGSA-N 1 2 339.798 3.605 20 0 EHADLO C[C@H](Cc1cccc(F)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069390855 1124741832 /nfs/dbraw/zinc/74/18/32/1124741832.db2.gz CHBXQIWTERFJNE-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000249318138 1124751529 /nfs/dbraw/zinc/75/15/29/1124751529.db2.gz PAIRJDMNRKCEIR-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734834701 1131284169 /nfs/dbraw/zinc/28/41/69/1131284169.db2.gz DKYHTERGAQXTIL-CQSZACIVSA-N 1 2 346.475 3.721 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2c1C ZINC000735040798 1131304122 /nfs/dbraw/zinc/30/41/22/1131304122.db2.gz VOZHYJYANSXXJP-SFHVURJKSA-N 1 2 338.455 3.826 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000448783136 1124908491 /nfs/dbraw/zinc/90/84/91/1124908491.db2.gz GKZACVFRCZUDAL-PKOBYXMFSA-N 1 2 330.472 3.674 20 0 EHADLO O=C(CCCn1cnc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000618089663 1124970402 /nfs/dbraw/zinc/97/04/02/1124970402.db2.gz HZPITSCFFVALBP-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc(Br)c1F ZINC001236846993 1125057878 /nfs/dbraw/zinc/05/78/78/1125057878.db2.gz GMYHEEQIEGBMEZ-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc(Br)c1F ZINC001236846993 1125057886 /nfs/dbraw/zinc/05/78/86/1125057886.db2.gz GMYHEEQIEGBMEZ-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO C[C@]12CC3CC(C(=O)NCCCCn4cc[nH+]c4)(C1)C[C@@](C)(C3)C2 ZINC000618419477 1125075461 /nfs/dbraw/zinc/07/54/61/1125075461.db2.gz DOWIGMXWAFXNDR-JUNHRQJPSA-N 1 2 329.488 3.776 20 0 EHADLO O=C(CSc1ccc2ccccc2c1)NCCCCn1cc[nH+]c1 ZINC000618419475 1125075759 /nfs/dbraw/zinc/07/57/59/1125075759.db2.gz OIOZZEXFZNGTNS-UHFFFAOYSA-N 1 2 339.464 3.725 20 0 EHADLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000618443463 1125082065 /nfs/dbraw/zinc/08/20/65/1125082065.db2.gz JTJREQZCTUGCBB-CQSZACIVSA-N 1 2 338.879 3.785 20 0 EHADLO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2occc2Br)C1 ZINC000735323133 1131331194 /nfs/dbraw/zinc/33/11/94/1131331194.db2.gz RNEKVDGPLHESRF-HIFRSBDPSA-N 1 2 349.272 3.967 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000182067800 1125138230 /nfs/dbraw/zinc/13/82/30/1125138230.db2.gz KYSUHWPTIRZBNX-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000182067800 1125138234 /nfs/dbraw/zinc/13/82/34/1125138234.db2.gz KYSUHWPTIRZBNX-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093277850 1125213454 /nfs/dbraw/zinc/21/34/54/1125213454.db2.gz NNGFNRBSNOSMDU-OAHLLOKOSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000093277850 1125213455 /nfs/dbraw/zinc/21/34/55/1125213455.db2.gz NNGFNRBSNOSMDU-OAHLLOKOSA-N 1 2 327.255 3.580 20 0 EHADLO Cc1occc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000618882655 1125234044 /nfs/dbraw/zinc/23/40/44/1125234044.db2.gz ZCQGYKHQPUKGEU-GFCCVEGCSA-N 1 2 348.472 3.598 20 0 EHADLO Cc1occc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000618882655 1125234049 /nfs/dbraw/zinc/23/40/49/1125234049.db2.gz ZCQGYKHQPUKGEU-GFCCVEGCSA-N 1 2 348.472 3.598 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000093865515 1125318886 /nfs/dbraw/zinc/31/88/86/1125318886.db2.gz PKNYXGCPLBNNDJ-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000093865515 1125318889 /nfs/dbraw/zinc/31/88/89/1125318889.db2.gz PKNYXGCPLBNNDJ-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO Cc1cc(Br)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1O ZINC001237299795 1125420918 /nfs/dbraw/zinc/42/09/18/1125420918.db2.gz XOHYBPVGBUEVQQ-SNVBAGLBSA-N 1 2 334.204 3.940 20 0 EHADLO Cc1cc(Br)c(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1O ZINC001237299795 1125420920 /nfs/dbraw/zinc/42/09/20/1125420920.db2.gz XOHYBPVGBUEVQQ-SNVBAGLBSA-N 1 2 334.204 3.940 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000183118373 1125447472 /nfs/dbraw/zinc/44/74/72/1125447472.db2.gz MVWLNMMNOGFFGQ-JKSUJKDBSA-N 1 2 327.453 3.711 20 0 EHADLO Cc1nc(N2CCC(c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000543067294 1129182541 /nfs/dbraw/zinc/18/25/41/1129182541.db2.gz OBCYZRYMFKTMOA-UHFFFAOYSA-N 1 2 332.245 3.932 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC2(C)CC2)[C@H](C)C1 ZINC001128412398 1129201245 /nfs/dbraw/zinc/20/12/45/1129201245.db2.gz SHULMQCLUSSPHC-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC2(C)CC2)[C@H](C)C1 ZINC001128412398 1129201248 /nfs/dbraw/zinc/20/12/48/1129201248.db2.gz SHULMQCLUSSPHC-QGZVFWFLSA-N 1 2 344.499 3.698 20 0 EHADLO COc1cc(C[NH2+]Cc2cc(C)on2)ccc1OCc1cccs1 ZINC000066875466 1129218616 /nfs/dbraw/zinc/21/86/16/1129218616.db2.gz HIXDAXISSFMPQV-UHFFFAOYSA-N 1 2 344.436 3.922 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1Cl ZINC000922161650 1129260669 /nfs/dbraw/zinc/26/06/69/1129260669.db2.gz FPCCSKFEDSCPGE-JTQLQIEISA-N 1 2 329.753 3.576 20 0 EHADLO CCOc1cc(F)cc(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC001205045673 1129264628 /nfs/dbraw/zinc/26/46/28/1129264628.db2.gz ALBHQCAFFWWDKE-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO C[C@@H]1SCC[N@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@H]1C ZINC000735666828 1131371359 /nfs/dbraw/zinc/37/13/59/1131371359.db2.gz GCBBIJOYIYTQNK-GJZGRUSLSA-N 1 2 333.526 3.851 20 0 EHADLO C[C@@H]1SCC[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)[C@H]1C ZINC000735666828 1131371364 /nfs/dbraw/zinc/37/13/64/1131371364.db2.gz GCBBIJOYIYTQNK-GJZGRUSLSA-N 1 2 333.526 3.851 20 0 EHADLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(C)c1 ZINC000673471555 1129443463 /nfs/dbraw/zinc/44/34/63/1129443463.db2.gz ZTQSRIIXRYIJQV-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000347708704 1129463409 /nfs/dbraw/zinc/46/34/09/1129463409.db2.gz ORPUNUGMHUMEQF-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000543482699 1129516715 /nfs/dbraw/zinc/51/67/15/1129516715.db2.gz MZILCERYXOKVQT-SJORKVTESA-N 1 2 342.418 3.770 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000543482699 1129516720 /nfs/dbraw/zinc/51/67/20/1129516720.db2.gz MZILCERYXOKVQT-SJORKVTESA-N 1 2 342.418 3.770 20 0 EHADLO Fc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1OC(F)F ZINC000922470938 1129541072 /nfs/dbraw/zinc/54/10/72/1129541072.db2.gz CGFITIZKURVREK-UHFFFAOYSA-N 1 2 328.359 3.662 20 0 EHADLO COc1cc(C)c(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000922521392 1129560903 /nfs/dbraw/zinc/56/09/03/1129560903.db2.gz UVDVGDLFDNFOIM-DNVCBOLYSA-N 1 2 331.387 3.574 20 0 EHADLO FC(F)COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521830 1129561369 /nfs/dbraw/zinc/56/13/69/1129561369.db2.gz YTUDDMWKHXCNOO-CRAIPNDOSA-N 1 2 337.341 3.892 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000508990629 1129621181 /nfs/dbraw/zinc/62/11/81/1129621181.db2.gz LZHKYTWHFCZINL-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1cccc2cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)sc21 ZINC000673607736 1129622950 /nfs/dbraw/zinc/62/29/50/1129622950.db2.gz OXIOJROKTBTOEH-HNNXBMFYSA-N 1 2 337.448 3.613 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000265888425 1129660838 /nfs/dbraw/zinc/66/08/38/1129660838.db2.gz QIGCNEMDMVOWTA-UHFFFAOYSA-N 1 2 347.480 3.509 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000265888425 1129660840 /nfs/dbraw/zinc/66/08/40/1129660840.db2.gz QIGCNEMDMVOWTA-UHFFFAOYSA-N 1 2 347.480 3.509 20 0 EHADLO CC[C@H](C)[C@@H]([NH2+]Cc1oncc1C(=O)OC)c1ccc(Cl)cc1 ZINC000509033921 1129678063 /nfs/dbraw/zinc/67/80/63/1129678063.db2.gz RREALLCZLORCIT-MEDUHNTESA-N 1 2 336.819 3.992 20 0 EHADLO Cc1nnc([C@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000282395457 1129689530 /nfs/dbraw/zinc/68/95/30/1129689530.db2.gz DXMJISXCOLWLOR-JTQLQIEISA-N 1 2 345.390 3.937 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000282395457 1129689532 /nfs/dbraw/zinc/68/95/32/1129689532.db2.gz DXMJISXCOLWLOR-JTQLQIEISA-N 1 2 345.390 3.937 20 0 EHADLO CSC1(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCC1 ZINC000429048058 1129723068 /nfs/dbraw/zinc/72/30/68/1129723068.db2.gz YABWJECOCBGNIT-UHFFFAOYSA-N 1 2 339.530 3.599 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086371986 1129725374 /nfs/dbraw/zinc/72/53/74/1129725374.db2.gz FZULCAFFGVWGNG-OAHLLOKOSA-N 1 2 326.444 3.591 20 0 EHADLO COc1cncc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000625090218 1129728244 /nfs/dbraw/zinc/72/82/44/1129728244.db2.gz QSBKHWMMFNIBIU-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO COc1cncc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000625090218 1129728248 /nfs/dbraw/zinc/72/82/48/1129728248.db2.gz QSBKHWMMFNIBIU-HNNXBMFYSA-N 1 2 348.244 3.585 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000429073579 1129744266 /nfs/dbraw/zinc/74/42/66/1129744266.db2.gz GSMSYPQWIASXMT-CRAIPNDOSA-N 1 2 345.487 3.780 20 0 EHADLO COc1cncc(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000625224598 1129769367 /nfs/dbraw/zinc/76/93/67/1129769367.db2.gz ZNOWGQIRNYQCEW-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1cncc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000625224598 1129769369 /nfs/dbraw/zinc/76/93/69/1129769369.db2.gz ZNOWGQIRNYQCEW-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO COc1cncc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)n1 ZINC000625227152 1129774695 /nfs/dbraw/zinc/77/46/95/1129774695.db2.gz YVVOHOQHLVXKQQ-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO COc1cncc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)n1 ZINC000625227152 1129774696 /nfs/dbraw/zinc/77/46/96/1129774696.db2.gz YVVOHOQHLVXKQQ-OAHLLOKOSA-N 1 2 348.244 3.585 20 0 EHADLO CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cn1 ZINC000347785882 1129777324 /nfs/dbraw/zinc/77/73/24/1129777324.db2.gz OMHPDAPZODTCGT-GOSISDBHSA-N 1 2 348.393 3.819 20 0 EHADLO CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cn1 ZINC000347785882 1129777327 /nfs/dbraw/zinc/77/73/27/1129777327.db2.gz OMHPDAPZODTCGT-GOSISDBHSA-N 1 2 348.393 3.819 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625258994 1129786829 /nfs/dbraw/zinc/78/68/29/1129786829.db2.gz CPKKANDSKODELX-IBGZPJMESA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625258994 1129786832 /nfs/dbraw/zinc/78/68/32/1129786832.db2.gz CPKKANDSKODELX-IBGZPJMESA-N 1 2 338.382 3.572 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000625261438 1129788017 /nfs/dbraw/zinc/78/80/17/1129788017.db2.gz RAKUNLKTFQWEIC-GFCCVEGCSA-N 1 2 332.366 3.606 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000625261438 1129788020 /nfs/dbraw/zinc/78/80/20/1129788020.db2.gz RAKUNLKTFQWEIC-GFCCVEGCSA-N 1 2 332.366 3.606 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]Cc1cnc2n[nH]c(C)c2c1)c1ccco1 ZINC000347801143 1129818139 /nfs/dbraw/zinc/81/81/39/1129818139.db2.gz UREZPPBZLBSVBP-LJQANCHMSA-N 1 2 348.406 3.747 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429122055 1129830644 /nfs/dbraw/zinc/83/06/44/1129830644.db2.gz IZQPUSFANGRDIG-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(C)c1 ZINC000429122055 1129830646 /nfs/dbraw/zinc/83/06/46/1129830646.db2.gz IZQPUSFANGRDIG-IRXDYDNUSA-N 1 2 338.451 3.914 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)[nH+]c12 ZINC000673775610 1129838827 /nfs/dbraw/zinc/83/88/27/1129838827.db2.gz BFQVREJMIFVWRN-QFBILLFUSA-N 1 2 348.450 3.588 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000673781121 1129843304 /nfs/dbraw/zinc/84/33/04/1129843304.db2.gz MASXHLGUYKQWND-GOEBONIOSA-N 1 2 342.487 3.794 20 0 EHADLO C[C@@H](CNC(=O)c1cc2c(cccc2Cl)s1)Cn1cc[nH+]c1 ZINC000673841793 1129880492 /nfs/dbraw/zinc/88/04/92/1129880492.db2.gz HGHICXKRQFZWQY-NSHDSACASA-N 1 2 333.844 3.817 20 0 EHADLO COc1cncc(C[N@H+](C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)n1 ZINC000625514986 1129912539 /nfs/dbraw/zinc/91/25/39/1129912539.db2.gz WAVPVMLKVONLOS-OAHLLOKOSA-N 1 2 347.846 3.657 20 0 EHADLO COc1cncc(C[N@@H+](C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)n1 ZINC000625514986 1129912542 /nfs/dbraw/zinc/91/25/42/1129912542.db2.gz WAVPVMLKVONLOS-OAHLLOKOSA-N 1 2 347.846 3.657 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466567074 1129927433 /nfs/dbraw/zinc/92/74/33/1129927433.db2.gz NIEKOYWXLOYWPP-IBGZPJMESA-N 1 2 340.471 3.983 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCn3c(nnc3C3CCCC3)C2)cc1F ZINC000347856460 1129934492 /nfs/dbraw/zinc/93/44/92/1129934492.db2.gz NQKPTVOJHCSRDX-ARJAWSKDSA-N 1 2 344.409 3.743 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCn3c(nnc3C3CCCC3)C2)cc1F ZINC000347856460 1129934495 /nfs/dbraw/zinc/93/44/95/1129934495.db2.gz NQKPTVOJHCSRDX-ARJAWSKDSA-N 1 2 344.409 3.743 20 0 EHADLO CC[NH+](CC)Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282501272 1129955009 /nfs/dbraw/zinc/95/50/09/1129955009.db2.gz RXQJESFITBFNTA-ZDUSSCGKSA-N 1 2 331.313 3.989 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058927300 1129966357 /nfs/dbraw/zinc/96/63/57/1129966357.db2.gz MJYIAFMAWUMDGV-UHFFFAOYSA-N 1 2 334.891 3.607 20 0 EHADLO Cc1sc2nc(C[NH+]3C[C@@H](C)C(F)(F)[C@H](C)C3)nc(N)c2c1C ZINC000625655159 1129967519 /nfs/dbraw/zinc/96/75/19/1129967519.db2.gz SAWNLZVUDOCXEB-RKDXNWHRSA-N 1 2 340.443 3.613 20 0 EHADLO C[N@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1 ZINC000059405005 1129986746 /nfs/dbraw/zinc/98/67/46/1129986746.db2.gz BIRGIHDEVPPMPS-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1 ZINC000059405005 1129986748 /nfs/dbraw/zinc/98/67/48/1129986748.db2.gz BIRGIHDEVPPMPS-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO C[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000674107827 1130005544 /nfs/dbraw/zinc/00/55/44/1130005544.db2.gz YLDSURYURUCVOT-HZPDHXFCSA-N 1 2 330.472 3.845 20 0 EHADLO FC(F)C1([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCC1 ZINC000674143881 1130012672 /nfs/dbraw/zinc/01/26/72/1130012672.db2.gz BYDUBQZBYNULOO-INIZCTEOSA-N 1 2 325.399 3.912 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)NCCCn3cc[nH+]c3)c2)c1 ZINC000171326247 1130046261 /nfs/dbraw/zinc/04/62/61/1130046261.db2.gz BZCDSCUDNOFWAR-UHFFFAOYSA-N 1 2 348.450 3.748 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]nc1-c1ccccc1Cl ZINC000674799595 1130196486 /nfs/dbraw/zinc/19/64/86/1130196486.db2.gz KLQORGPXMJINMY-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc3nsnc32)CCO1 ZINC000766075946 1130203304 /nfs/dbraw/zinc/20/33/04/1130203304.db2.gz NPQPCYWJWLMFMF-QGZVFWFLSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc3nsnc32)CCO1 ZINC000766075946 1130203311 /nfs/dbraw/zinc/20/33/11/1130203311.db2.gz NPQPCYWJWLMFMF-QGZVFWFLSA-N 1 2 325.437 3.573 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000674874138 1130209524 /nfs/dbraw/zinc/20/95/24/1130209524.db2.gz CVPIJCJKLZUOCE-QGZVFWFLSA-N 1 2 332.492 3.836 20 0 EHADLO C[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@@H]1n1cc[nH+]c1 ZINC000675256995 1130299090 /nfs/dbraw/zinc/29/90/90/1130299090.db2.gz FIVSZQKGFAZXBZ-SJCJKPOMSA-N 1 2 342.830 3.741 20 0 EHADLO CCCCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675255837 1130299278 /nfs/dbraw/zinc/29/92/78/1130299278.db2.gz SXUXZLAFYLAFLI-APWZRJJASA-N 1 2 325.456 3.949 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000675257595 1130299605 /nfs/dbraw/zinc/29/96/05/1130299605.db2.gz OAQHTAQJOLMGNY-CIRFHOKZSA-N 1 2 341.455 3.642 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ncc(Br)cc1F ZINC000187028684 1130344929 /nfs/dbraw/zinc/34/49/29/1130344929.db2.gz ALRIDYNUSWIFFA-QMMMGPOBSA-N 1 2 344.615 3.882 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)n1 ZINC000766141672 1130395248 /nfs/dbraw/zinc/39/52/48/1130395248.db2.gz VDEFUZSTWAPIAH-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)n1 ZINC000766141672 1130395257 /nfs/dbraw/zinc/39/52/57/1130395257.db2.gz VDEFUZSTWAPIAH-KRWDZBQOSA-N 1 2 338.386 3.916 20 0 EHADLO CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675584527 1130429254 /nfs/dbraw/zinc/42/92/54/1130429254.db2.gz YDDGVQUFWNFJKJ-GOSISDBHSA-N 1 2 334.423 3.553 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000675783397 1130478791 /nfs/dbraw/zinc/47/87/91/1130478791.db2.gz HTALLUOWDFDDHX-GOSISDBHSA-N 1 2 341.455 3.523 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCc1ccc(-c2ccccc2)cc1 ZINC000675801042 1130480770 /nfs/dbraw/zinc/48/07/70/1130480770.db2.gz QQSFLOLBINXTGQ-UHFFFAOYSA-N 1 2 329.407 3.685 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@H]1n1cc[nH+]c1 ZINC000675832260 1130489190 /nfs/dbraw/zinc/48/91/90/1130489190.db2.gz LPWZVIRXDSOGDM-UONOGXRCSA-N 1 2 341.436 3.928 20 0 EHADLO Brc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cs1 ZINC000675975315 1130513275 /nfs/dbraw/zinc/51/32/75/1130513275.db2.gz KHSMVRPVRATCSK-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000676330580 1130565467 /nfs/dbraw/zinc/56/54/67/1130565467.db2.gz XKCPGSRXFCIFDK-UHFFFAOYSA-N 1 2 345.406 3.641 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@H+]3Cc4ccccc4[C@H](C)C3)C2=O)CC1 ZINC000727817142 1130596707 /nfs/dbraw/zinc/59/67/07/1130596707.db2.gz VJCRAMOQSMUGPX-ZGOJQLDESA-N 1 2 340.467 3.519 20 0 EHADLO CC1CCC2(CC(=O)N(C[N@@H+]3Cc4ccccc4[C@H](C)C3)C2=O)CC1 ZINC000727817142 1130596713 /nfs/dbraw/zinc/59/67/13/1130596713.db2.gz VJCRAMOQSMUGPX-ZGOJQLDESA-N 1 2 340.467 3.519 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727843879 1130601051 /nfs/dbraw/zinc/60/10/51/1130601051.db2.gz NTNWVYTUWNTIHO-HZPDHXFCSA-N 1 2 333.476 3.865 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728043135 1130621467 /nfs/dbraw/zinc/62/14/67/1130621467.db2.gz FFPXPULNEIGPLG-HOCLYGCPSA-N 1 2 343.496 3.614 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728043135 1130621468 /nfs/dbraw/zinc/62/14/68/1130621468.db2.gz FFPXPULNEIGPLG-HOCLYGCPSA-N 1 2 343.496 3.614 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619660 1130626239 /nfs/dbraw/zinc/62/62/39/1130626239.db2.gz KGNNVDDVIURUMP-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619660 1130626242 /nfs/dbraw/zinc/62/62/42/1130626242.db2.gz KGNNVDDVIURUMP-RHSMWYFYSA-N 1 2 327.428 3.547 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619662 1130626355 /nfs/dbraw/zinc/62/63/55/1130626355.db2.gz KGNNVDDVIURUMP-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000285619662 1130626359 /nfs/dbraw/zinc/62/63/59/1130626359.db2.gz KGNNVDDVIURUMP-WMLDXEAASA-N 1 2 327.428 3.547 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000290512370 1130637000 /nfs/dbraw/zinc/63/70/00/1130637000.db2.gz STFBFYDQJVUQFN-UHFFFAOYSA-N 1 2 348.834 3.717 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000729985350 1130662455 /nfs/dbraw/zinc/66/24/55/1130662455.db2.gz LWCGYRAROIWLTI-KRWDZBQOSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000729985350 1130662460 /nfs/dbraw/zinc/66/24/60/1130662460.db2.gz LWCGYRAROIWLTI-KRWDZBQOSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c[nH+]1 ZINC001119492953 1130663325 /nfs/dbraw/zinc/66/33/25/1130663325.db2.gz DKKZJLBQRGJUSR-UHFFFAOYSA-N 1 2 329.297 3.723 20 0 EHADLO CCCC[N@H+](C)c1ccc(NC=C2c3ccccc3C(=O)NC2=O)cc1 ZINC000730512664 1130716824 /nfs/dbraw/zinc/71/68/24/1130716824.db2.gz JMQYCBAKQWHNMN-XMHGGMMESA-N 1 2 349.434 3.646 20 0 EHADLO CCCC[N@@H+](C)c1ccc(NC=C2c3ccccc3C(=O)NC2=O)cc1 ZINC000730512664 1130716830 /nfs/dbraw/zinc/71/68/30/1130716830.db2.gz JMQYCBAKQWHNMN-XMHGGMMESA-N 1 2 349.434 3.646 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731399107 1130796415 /nfs/dbraw/zinc/79/64/15/1130796415.db2.gz BBGHYVMBKBVOPN-QRQLOZEOSA-N 1 2 347.503 3.524 20 0 EHADLO CC(C)COc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000731450480 1130801208 /nfs/dbraw/zinc/80/12/08/1130801208.db2.gz YBHZQXMOAWVYRN-UHFFFAOYSA-N 1 2 336.439 3.592 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732187171 1130891578 /nfs/dbraw/zinc/89/15/78/1130891578.db2.gz PBUJAKXJFPWUHH-CQSZACIVSA-N 1 2 344.871 3.966 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732187171 1130891583 /nfs/dbraw/zinc/89/15/83/1130891583.db2.gz PBUJAKXJFPWUHH-CQSZACIVSA-N 1 2 344.871 3.966 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)oc1C ZINC000732209545 1130896811 /nfs/dbraw/zinc/89/68/11/1130896811.db2.gz MPHHRHUTGBUQCL-BIENJYKASA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)oc1C ZINC000732209545 1130896819 /nfs/dbraw/zinc/89/68/19/1130896819.db2.gz MPHHRHUTGBUQCL-BIENJYKASA-N 1 2 343.423 3.725 20 0 EHADLO CC(C)CCc1nc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cs1 ZINC000732413201 1130925456 /nfs/dbraw/zinc/92/54/56/1130925456.db2.gz QPOPLYLOIPIUSI-KRWDZBQOSA-N 1 2 349.544 3.709 20 0 EHADLO CC(C)CCc1nc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cs1 ZINC000732413201 1130925458 /nfs/dbraw/zinc/92/54/58/1130925458.db2.gz QPOPLYLOIPIUSI-KRWDZBQOSA-N 1 2 349.544 3.709 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)c1c(C)nn(C)c1C ZINC000347949045 1131101516 /nfs/dbraw/zinc/10/15/16/1131101516.db2.gz APNGHLYOJZWOPD-CJNGLKHVSA-N 1 2 339.443 3.889 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000347993661 1131113124 /nfs/dbraw/zinc/11/31/24/1131113124.db2.gz IRYKYIKSCULILI-HNNXBMFYSA-N 1 2 332.469 3.557 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000347993661 1131113127 /nfs/dbraw/zinc/11/31/27/1131113127.db2.gz IRYKYIKSCULILI-HNNXBMFYSA-N 1 2 332.469 3.557 20 0 EHADLO CO[C@H](C[N@@H+]1CCc2cc(Br)cc(F)c2C1)C1CCC1 ZINC001307618181 1131127101 /nfs/dbraw/zinc/12/71/01/1131127101.db2.gz MQSIOLRHPJFPLC-MRXNPFEDSA-N 1 2 342.252 3.761 20 0 EHADLO CO[C@H](C[N@H+]1CCc2cc(Br)cc(F)c2C1)C1CCC1 ZINC001307618181 1131127104 /nfs/dbraw/zinc/12/71/04/1131127104.db2.gz MQSIOLRHPJFPLC-MRXNPFEDSA-N 1 2 342.252 3.761 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc2n1CCCCC2 ZINC000733992547 1131180555 /nfs/dbraw/zinc/18/05/55/1131180555.db2.gz SFQUMIFIFQHGMD-GOSISDBHSA-N 1 2 332.517 3.920 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@]3(CC=CCC3)C2)nc2n1CCCCC2 ZINC000733992547 1131180559 /nfs/dbraw/zinc/18/05/59/1131180559.db2.gz SFQUMIFIFQHGMD-GOSISDBHSA-N 1 2 332.517 3.920 20 0 EHADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2s1 ZINC000734113838 1131197793 /nfs/dbraw/zinc/19/77/93/1131197793.db2.gz JHMJTTAYGYAISB-ZDUSSCGKSA-N 1 2 348.431 3.973 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597624 1131428010 /nfs/dbraw/zinc/42/80/10/1131428010.db2.gz ZTUFDHICSRIRIW-OCCSQVGLSA-N 1 2 349.479 3.539 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597624 1131428015 /nfs/dbraw/zinc/42/80/15/1131428015.db2.gz ZTUFDHICSRIRIW-OCCSQVGLSA-N 1 2 349.479 3.539 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000738342401 1131470570 /nfs/dbraw/zinc/47/05/70/1131470570.db2.gz VNUGDLSYNWELNW-HNNXBMFYSA-N 1 2 326.465 3.729 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000738342401 1131470571 /nfs/dbraw/zinc/47/05/71/1131470571.db2.gz VNUGDLSYNWELNW-HNNXBMFYSA-N 1 2 326.465 3.729 20 0 EHADLO Cc1cn2cc(NC(=O)NC(C)(C)c3ccc(F)cc3)ccc2[nH+]1 ZINC000738918354 1131491511 /nfs/dbraw/zinc/49/15/11/1131491511.db2.gz AVJDVAGKBFIXAD-UHFFFAOYSA-N 1 2 326.375 3.839 20 0 EHADLO CC(C)c1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=S)n1Cc1ccco1 ZINC000740857751 1131549303 /nfs/dbraw/zinc/54/93/03/1131549303.db2.gz AYUIPPHUNVYRJI-UONOGXRCSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)c1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=S)n1Cc1ccco1 ZINC000740857751 1131549307 /nfs/dbraw/zinc/54/93/07/1131549307.db2.gz AYUIPPHUNVYRJI-UONOGXRCSA-N 1 2 334.489 3.867 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000741025591 1131570985 /nfs/dbraw/zinc/57/09/85/1131570985.db2.gz HPYSCNTZEAUFTD-CYBMUJFWSA-N 1 2 339.304 3.897 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000741151084 1131583934 /nfs/dbraw/zinc/58/39/34/1131583934.db2.gz VCSYQYVDBNYBRE-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000741151084 1131583937 /nfs/dbraw/zinc/58/39/37/1131583937.db2.gz VCSYQYVDBNYBRE-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CCCCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000742063519 1131685551 /nfs/dbraw/zinc/68/55/51/1131685551.db2.gz FOXJDTZGVQNZTC-GOSISDBHSA-N 1 2 346.515 3.946 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000742237769 1131698699 /nfs/dbraw/zinc/69/86/99/1131698699.db2.gz OTMIDHZHHZBHSQ-DAXSKMNVSA-N 1 2 342.817 3.541 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000742237769 1131698701 /nfs/dbraw/zinc/69/87/01/1131698701.db2.gz OTMIDHZHHZBHSQ-DAXSKMNVSA-N 1 2 342.817 3.541 20 0 EHADLO CC[C@@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1 ZINC000742238139 1131699544 /nfs/dbraw/zinc/69/95/44/1131699544.db2.gz UQJMOTQAPNHXNV-HNNXBMFYSA-N 1 2 338.442 3.758 20 0 EHADLO CC[C@@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1 ZINC000742238139 1131699549 /nfs/dbraw/zinc/69/95/49/1131699549.db2.gz UQJMOTQAPNHXNV-HNNXBMFYSA-N 1 2 338.442 3.758 20 0 EHADLO CC(C)c1cccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742300030 1131705402 /nfs/dbraw/zinc/70/54/02/1131705402.db2.gz SYGKYXHFPPRIOB-UHFFFAOYSA-N 1 2 342.420 3.763 20 0 EHADLO CC(C)OCC[C@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001172449492 1131747492 /nfs/dbraw/zinc/74/74/92/1131747492.db2.gz UONACNOOEMSNIB-ZDUSSCGKSA-N 1 2 346.302 3.714 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000742637757 1131765147 /nfs/dbraw/zinc/76/51/47/1131765147.db2.gz HZYOLVYNDPYQKM-CVEARBPZSA-N 1 2 342.439 3.723 20 0 EHADLO Cc1ccc([C@H](C)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000742637758 1131765400 /nfs/dbraw/zinc/76/54/00/1131765400.db2.gz HZYOLVYNDPYQKM-HOTGVXAUSA-N 1 2 342.439 3.723 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3c(Cl)ccc4ncccc43)cc2)C1 ZINC001212670134 1131779234 /nfs/dbraw/zinc/77/92/34/1131779234.db2.gz IKSKRPSFFOHQEF-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Oc1c(Cl)c(Cl)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671868 1131785861 /nfs/dbraw/zinc/78/58/61/1131785861.db2.gz ZDHFCFMWXIXNAW-UHFFFAOYSA-N 1 2 339.222 3.619 20 0 EHADLO Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc2scnc21 ZINC001212672656 1131790556 /nfs/dbraw/zinc/79/05/56/1131790556.db2.gz TYAVBELERMXVTH-UHFFFAOYSA-N 1 2 325.437 3.525 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000180712692 1131822834 /nfs/dbraw/zinc/82/28/34/1131822834.db2.gz HJJMLYCTAJEBOK-MNOVXSKESA-N 1 2 338.249 3.599 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCc1ccccc1 ZINC001172723501 1131824032 /nfs/dbraw/zinc/82/40/32/1131824032.db2.gz DQDISRPMELGCQZ-APWZRJJASA-N 1 2 345.483 3.572 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723804 1131824091 /nfs/dbraw/zinc/82/40/91/1131824091.db2.gz JEVVNTCNOSEEEO-IBGZPJMESA-N 1 2 346.902 3.532 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172728230 1131826739 /nfs/dbraw/zinc/82/67/39/1131826739.db2.gz FCQFLIZRPHPWLY-SFHVURJKSA-N 1 2 330.472 3.567 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[NH+]1CCC(C(C)(C)C)CC1)c2=O ZINC000743364145 1131903127 /nfs/dbraw/zinc/90/31/27/1131903127.db2.gz ACHPSGZBMKISBS-UHFFFAOYSA-N 1 2 333.501 3.790 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372444 1131904227 /nfs/dbraw/zinc/90/42/27/1131904227.db2.gz GKTLBIKWOKNXDT-GUYCJALGSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000743372444 1131904233 /nfs/dbraw/zinc/90/42/33/1131904233.db2.gz GKTLBIKWOKNXDT-GUYCJALGSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000743347604 1131905560 /nfs/dbraw/zinc/90/55/60/1131905560.db2.gz DBNOGSMTLSGLDE-YWZLYKJASA-N 1 2 338.426 3.967 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000743347604 1131905564 /nfs/dbraw/zinc/90/55/64/1131905564.db2.gz DBNOGSMTLSGLDE-YWZLYKJASA-N 1 2 338.426 3.967 20 0 EHADLO CCCC[N@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CC1 ZINC000743349810 1131905624 /nfs/dbraw/zinc/90/56/24/1131905624.db2.gz VQBOJCDOCDPTDI-UHFFFAOYSA-N 1 2 330.428 3.655 20 0 EHADLO CCCC[N@@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CC1 ZINC000743349810 1131905634 /nfs/dbraw/zinc/90/56/34/1131905634.db2.gz VQBOJCDOCDPTDI-UHFFFAOYSA-N 1 2 330.428 3.655 20 0 EHADLO COC(=O)c1scc(C)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693435 1131907206 /nfs/dbraw/zinc/90/72/06/1131907206.db2.gz WOAZBRVIXOPXHH-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743392580 1131910098 /nfs/dbraw/zinc/91/00/98/1131910098.db2.gz QIKYZLAYIMBSJR-SPUIBGILSA-N 1 2 340.467 3.592 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)CC3(CCC(C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743392580 1131910100 /nfs/dbraw/zinc/91/01/00/1131910100.db2.gz QIKYZLAYIMBSJR-SPUIBGILSA-N 1 2 340.467 3.592 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)C1=O ZINC000743376560 1131913083 /nfs/dbraw/zinc/91/30/83/1131913083.db2.gz LFSDPTCWJDPJCV-IBGZPJMESA-N 1 2 348.446 3.529 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)C1=O ZINC000743376560 1131913091 /nfs/dbraw/zinc/91/30/91/1131913091.db2.gz LFSDPTCWJDPJCV-IBGZPJMESA-N 1 2 348.446 3.529 20 0 EHADLO O=C1c2c(cccc2Nc2ccc(Cn3cc[nH+]c3)cc2)CN1C1CC1 ZINC001212699839 1131934195 /nfs/dbraw/zinc/93/41/95/1131934195.db2.gz GUGLFMZDCLDKCG-UHFFFAOYSA-N 1 2 344.418 3.793 20 0 EHADLO C[C@H]1Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2N(C)C1=O ZINC001212699788 1131934854 /nfs/dbraw/zinc/93/48/54/1131934854.db2.gz DNSVFPHBNZFDFX-HNNXBMFYSA-N 1 2 346.434 3.830 20 0 EHADLO COC(=O)[C@@H](Cc1cccnc1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173118461 1131972959 /nfs/dbraw/zinc/97/29/59/1131972959.db2.gz WRDXVBPSAXWVIN-GOSISDBHSA-N 1 2 330.472 3.648 20 0 EHADLO Cn1c2ccccc2nc1C[NH2+]Cc1ccc(Br)cc1F ZINC000743768023 1131976332 /nfs/dbraw/zinc/97/63/32/1131976332.db2.gz XIPLHNVGONBXIU-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1SC(F)(F)F ZINC000743839307 1131983653 /nfs/dbraw/zinc/98/36/53/1131983653.db2.gz CLBWBVLJKIYNNM-GHMZBOCLSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1SC(F)(F)F ZINC000743839307 1131983656 /nfs/dbraw/zinc/98/36/56/1131983656.db2.gz CLBWBVLJKIYNNM-GHMZBOCLSA-N 1 2 335.391 3.916 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cn4cccc(C)c4n3)CC2)cc1 ZINC000743868259 1131993581 /nfs/dbraw/zinc/99/35/81/1131993581.db2.gz YQWZUENNKAHXLN-UHFFFAOYSA-N 1 2 334.467 3.527 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]Cc3cnc4c(C)cccn34)co2)cc1 ZINC000744447810 1132102571 /nfs/dbraw/zinc/10/25/71/1132102571.db2.gz XJHWEXVDWNZGOO-UHFFFAOYSA-N 1 2 332.407 3.896 20 0 EHADLO CSc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173814256 1132143338 /nfs/dbraw/zinc/14/33/38/1132143338.db2.gz JFTMUBYXJIRECV-STQMWFEESA-N 1 2 344.484 3.864 20 0 EHADLO CCSCC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001294035467 1132174607 /nfs/dbraw/zinc/17/46/07/1132174607.db2.gz XAKJOLVDFBCPGG-CQSZACIVSA-N 1 2 342.936 3.810 20 0 EHADLO CCSCC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001294035467 1132174613 /nfs/dbraw/zinc/17/46/13/1132174613.db2.gz XAKJOLVDFBCPGG-CQSZACIVSA-N 1 2 342.936 3.810 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086183 1132191582 /nfs/dbraw/zinc/19/15/82/1132191582.db2.gz KPNIUFYYIYMFCT-HOCLYGCPSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086183 1132191586 /nfs/dbraw/zinc/19/15/86/1132191586.db2.gz KPNIUFYYIYMFCT-HOCLYGCPSA-N 1 2 328.412 3.820 20 0 EHADLO CCCCc1noc([C@@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000745100630 1132193906 /nfs/dbraw/zinc/19/39/06/1132193906.db2.gz MJBUSIUJXIKDAQ-PBHICJAKSA-N 1 2 345.443 3.709 20 0 EHADLO CCCCc1noc([C@@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000745100630 1132193912 /nfs/dbraw/zinc/19/39/12/1132193912.db2.gz MJBUSIUJXIKDAQ-PBHICJAKSA-N 1 2 345.443 3.709 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)CCO3)cn2cc[nH+]c12 ZINC001174009758 1132202330 /nfs/dbraw/zinc/20/23/30/1132202330.db2.gz NULXRNMQTYPKJV-UHFFFAOYSA-N 1 2 330.185 3.775 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C(=O)NC2CCCCC2)cc1 ZINC001174083469 1132240484 /nfs/dbraw/zinc/24/04/84/1132240484.db2.gz FESFJVGEDRVNQE-UHFFFAOYSA-N 1 2 348.450 3.979 20 0 EHADLO CC(C)(C)NC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174124265 1132243741 /nfs/dbraw/zinc/24/37/41/1132243741.db2.gz JGPUPLVOMQSTOL-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO O=C(c1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1)N1CCCC1 ZINC001174170298 1132266227 /nfs/dbraw/zinc/26/62/27/1132266227.db2.gz OHEAAHZDCMVOAE-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C(=O)N2CCCCC2)c1 ZINC001174174210 1132268745 /nfs/dbraw/zinc/26/87/45/1132268745.db2.gz XVECFLDHZBNBFM-UHFFFAOYSA-N 1 2 334.423 3.542 20 0 EHADLO Cc1cc[nH+]c2cc(Nc3cccc(C(=O)N4CCOCC4)c3)ccc12 ZINC001174179854 1132270477 /nfs/dbraw/zinc/27/04/77/1132270477.db2.gz SQKMAPGJNYEOAD-UHFFFAOYSA-N 1 2 347.418 3.759 20 0 EHADLO Cn1c[nH+]c2ccc(-n3ccc4c3cc(N)cc4Br)cc21 ZINC001174349565 1132326418 /nfs/dbraw/zinc/32/64/18/1132326418.db2.gz FWEKVOROFFTOJX-UHFFFAOYSA-N 1 2 341.212 3.862 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)n1 ZINC001174382122 1132344269 /nfs/dbraw/zinc/34/42/69/1132344269.db2.gz ZMRDMMGUEQCOGR-UHFFFAOYSA-N 1 2 338.411 3.861 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)CCN(C)C4=O)ccc21 ZINC001174385248 1132344813 /nfs/dbraw/zinc/34/48/13/1132344813.db2.gz NCDWZUCBUMHLPW-UHFFFAOYSA-N 1 2 334.423 3.989 20 0 EHADLO CCc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432605 1132353520 /nfs/dbraw/zinc/35/35/20/1132353520.db2.gz UIHPEUDTOIVKKF-UHFFFAOYSA-N 1 2 326.440 3.704 20 0 EHADLO c1cc2cccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)c2o1 ZINC001174433563 1132354022 /nfs/dbraw/zinc/35/40/22/1132354022.db2.gz HJDQENVYBNYTBM-UHFFFAOYSA-N 1 2 338.407 3.887 20 0 EHADLO CCn1c(=S)n(C[N@H+](CC)CCc2cccs2)nc1C1CC1 ZINC000746070263 1132364686 /nfs/dbraw/zinc/36/46/86/1132364686.db2.gz KBIPQXRTCPLGED-UHFFFAOYSA-N 1 2 336.530 3.895 20 0 EHADLO CCn1c(=S)n(C[N@@H+](CC)CCc2cccs2)nc1C1CC1 ZINC000746070263 1132364693 /nfs/dbraw/zinc/36/46/93/1132364693.db2.gz KBIPQXRTCPLGED-UHFFFAOYSA-N 1 2 336.530 3.895 20 0 EHADLO Fc1ccc(C(F)(F)F)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001174485375 1132368907 /nfs/dbraw/zinc/36/89/07/1132368907.db2.gz QFJBILLMRMOISH-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CC(C)C[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746151443 1132385480 /nfs/dbraw/zinc/38/54/80/1132385480.db2.gz BJEPPZWWQWHDQH-UHFFFAOYSA-N 1 2 349.837 3.971 20 0 EHADLO CC(C)C[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1F ZINC000746151443 1132385489 /nfs/dbraw/zinc/38/54/89/1132385489.db2.gz BJEPPZWWQWHDQH-UHFFFAOYSA-N 1 2 349.837 3.971 20 0 EHADLO CNc1ncc2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc2n1 ZINC001174532826 1132386058 /nfs/dbraw/zinc/38/60/58/1132386058.db2.gz MDFAZNDBNNOBQL-UHFFFAOYSA-N 1 2 334.427 3.800 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174516188 1132396127 /nfs/dbraw/zinc/39/61/27/1132396127.db2.gz HPJOZUIFNCJADX-UHFFFAOYSA-N 1 2 339.443 3.957 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(CC(F)(F)F)n1 ZINC001174523194 1132400627 /nfs/dbraw/zinc/40/06/27/1132400627.db2.gz WWJITOVXVZWTNZ-UHFFFAOYSA-N 1 2 339.365 3.883 20 0 EHADLO COC(=O)c1ncc(Cl)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522914 1132400731 /nfs/dbraw/zinc/40/07/31/1132400731.db2.gz RWIFODIQQDRZCD-UHFFFAOYSA-N 1 2 346.818 3.651 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000183711583 1132403970 /nfs/dbraw/zinc/40/39/70/1132403970.db2.gz ALVAVRDBNYMVPF-SUMDDJOVSA-N 1 2 338.455 3.592 20 0 EHADLO COc1cc(Nc2ccccc2C[NH+]2CCOCC2)cc(F)c1F ZINC001174584574 1132407654 /nfs/dbraw/zinc/40/76/54/1132407654.db2.gz AZPPCGPILOIHJA-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1C ZINC000746321543 1132438095 /nfs/dbraw/zinc/43/80/95/1132438095.db2.gz LVMSQVSQIOGKPY-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1C ZINC000746321543 1132438098 /nfs/dbraw/zinc/43/80/98/1132438098.db2.gz LVMSQVSQIOGKPY-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000189072948 1132441587 /nfs/dbraw/zinc/44/15/87/1132441587.db2.gz DZWAQJYUHKRTOX-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000189072948 1132441593 /nfs/dbraw/zinc/44/15/93/1132441593.db2.gz DZWAQJYUHKRTOX-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000188976609 1132441779 /nfs/dbraw/zinc/44/17/79/1132441779.db2.gz RBZRWCXRLZYHDB-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000188976609 1132441782 /nfs/dbraw/zinc/44/17/82/1132441782.db2.gz RBZRWCXRLZYHDB-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(N(C)C)cc1 ZINC001174878140 1132494643 /nfs/dbraw/zinc/49/46/43/1132494643.db2.gz CEJGXMJTPVPOMV-UHFFFAOYSA-N 1 2 337.427 3.648 20 0 EHADLO Clc1cccc2ncc(Nc3ccc(N4CCOCC4)[nH+]c3)cc12 ZINC001174974851 1132510189 /nfs/dbraw/zinc/51/01/89/1132510189.db2.gz OUBZOQPUSQHXQL-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CC(=O)N1CCC[C@H](CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)C1 ZINC001168779884 1132510521 /nfs/dbraw/zinc/51/05/21/1132510521.db2.gz OSAJRDIEEFWUOE-QGZVFWFLSA-N 1 2 348.450 3.696 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCSCc1ccccc1 ZINC000766385586 1132525360 /nfs/dbraw/zinc/52/53/60/1132525360.db2.gz CYSBWLJDHPEULW-UHFFFAOYSA-N 1 2 341.484 3.927 20 0 EHADLO C[C@@H](COc1cccc(F)c1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766403286 1132530885 /nfs/dbraw/zinc/53/08/85/1132530885.db2.gz IVJTVAFRSHSYQG-LBPRGKRZSA-N 1 2 343.406 3.600 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@@H]1c1cccc(F)c1 ZINC000766416506 1132532956 /nfs/dbraw/zinc/53/29/56/1132532956.db2.gz OALPBOPWOAUSAD-OAHLLOKOSA-N 1 2 325.391 3.672 20 0 EHADLO Cc1ccc(CC[C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766417858 1132538422 /nfs/dbraw/zinc/53/84/22/1132538422.db2.gz WWTYLOGMYSRXGZ-GFCCVEGCSA-N 1 2 327.432 3.916 20 0 EHADLO COc1cc(C)c(Nc2ccccc2C[NH+]2CCOCC2)cc1C ZINC001175115201 1132557106 /nfs/dbraw/zinc/55/71/06/1132557106.db2.gz SKQBZAPVYXOXSG-UHFFFAOYSA-N 1 2 326.440 3.888 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)cs1 ZINC000766527178 1132591653 /nfs/dbraw/zinc/59/16/53/1132591653.db2.gz GEYBZNXVDGBDFE-ZIAGYGMSSA-N 1 2 342.468 3.887 20 0 EHADLO CN1c2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc2C(C)(C)C1=O ZINC001175349315 1132627154 /nfs/dbraw/zinc/62/71/54/1132627154.db2.gz NQGGBDYVPYMKHF-UHFFFAOYSA-N 1 2 336.439 3.679 20 0 EHADLO Cc1c(Cl)nc(C2CC2)nc1NCCc1cn2ccccc2[nH+]1 ZINC001169005699 1132630434 /nfs/dbraw/zinc/63/04/34/1132630434.db2.gz XCZKSHBLKBERDP-UHFFFAOYSA-N 1 2 327.819 3.618 20 0 EHADLO Cc1cccn2cc(CNc3cc(F)c(C[NH+](C)C)c(F)c3)nc12 ZINC001169022180 1132639097 /nfs/dbraw/zinc/63/90/97/1132639097.db2.gz NXERBKKSJIVUKY-UHFFFAOYSA-N 1 2 330.382 3.595 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001169024363 1132640150 /nfs/dbraw/zinc/64/01/50/1132640150.db2.gz LVSALEGHVAVFGI-XPGWFJOJSA-N 1 2 345.870 3.878 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001169024363 1132640156 /nfs/dbraw/zinc/64/01/56/1132640156.db2.gz LVSALEGHVAVFGI-XPGWFJOJSA-N 1 2 345.870 3.878 20 0 EHADLO CN(C)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)c[nH+]1 ZINC001175340348 1132644208 /nfs/dbraw/zinc/64/42/08/1132644208.db2.gz FBOLAOAAQJTUSZ-UHFFFAOYSA-N 1 2 338.436 3.719 20 0 EHADLO Cc1c(Br)cncc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350863 1132645326 /nfs/dbraw/zinc/64/53/26/1132645326.db2.gz ZVLGPGQDCVXIEC-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COC(=O)c1ccc(Cl)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351936 1132645989 /nfs/dbraw/zinc/64/59/89/1132645989.db2.gz YASPUVRNBLICKM-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC001169159338 1132682015 /nfs/dbraw/zinc/68/20/15/1132682015.db2.gz RMSKAGQHGRCSTJ-UHFFFAOYSA-N 1 2 343.789 3.773 20 0 EHADLO CC(C)Sc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001175623731 1132715994 /nfs/dbraw/zinc/71/59/94/1132715994.db2.gz MOMPZMCFAYUSCR-INIZCTEOSA-N 1 2 329.469 3.897 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cc(Br)ccc2O)c[nH+]1 ZINC001175713081 1132740542 /nfs/dbraw/zinc/74/05/42/1132740542.db2.gz PDEDVWSCOOZPHM-UHFFFAOYSA-N 1 2 348.122 3.894 20 0 EHADLO Cc1[nH]c(=O)c(CNc2ccc(N3CCCC3)[nH+]c2)c2c1CCCC2 ZINC001169401544 1132740621 /nfs/dbraw/zinc/74/06/21/1132740621.db2.gz XLAFRWBGMHBWSS-UHFFFAOYSA-N 1 2 338.455 3.582 20 0 EHADLO CC(C)c1nnc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cn21 ZINC001175712769 1132740754 /nfs/dbraw/zinc/74/07/54/1132740754.db2.gz QNBBWKLZVFEJCM-UHFFFAOYSA-N 1 2 336.321 3.592 20 0 EHADLO CC(C)OC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175714839 1132741720 /nfs/dbraw/zinc/74/17/20/1132741720.db2.gz WITXXAPBJQVNGB-UHFFFAOYSA-N 1 2 339.317 3.991 20 0 EHADLO CCOC(=O)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717259 1132742408 /nfs/dbraw/zinc/74/24/08/1132742408.db2.gz GZUZARAWQFHIKS-UHFFFAOYSA-N 1 2 325.290 3.603 20 0 EHADLO COC(=O)c1ccc(C)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716889 1132742759 /nfs/dbraw/zinc/74/27/59/1132742759.db2.gz BMMOPJGFMHJUHW-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO OCC[C@H](Nc1ccc2c([nH+]1)CCOC2)c1cccc2ccccc21 ZINC001169421787 1132749804 /nfs/dbraw/zinc/74/98/04/1132749804.db2.gz FJOFYGBMWBTEQD-FQEVSTJZSA-N 1 2 334.419 3.843 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001175750297 1132752962 /nfs/dbraw/zinc/75/29/62/1132752962.db2.gz SYEGQQKWYUQSJI-YOEHRIQHSA-N 1 2 343.389 3.715 20 0 EHADLO CCOC(=O)c1cc(C)sc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709496 1132755231 /nfs/dbraw/zinc/75/52/31/1132755231.db2.gz FUYSOZXPTYBAAB-UHFFFAOYSA-N 1 2 345.346 3.973 20 0 EHADLO COc1ccccc1-n1nccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710925 1132755279 /nfs/dbraw/zinc/75/52/79/1132755279.db2.gz OLSYRIBPRAEQRE-UHFFFAOYSA-N 1 2 349.316 3.621 20 0 EHADLO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001169486202 1132775995 /nfs/dbraw/zinc/77/59/95/1132775995.db2.gz DEXZTMALKYBNGV-RDJZCZTQSA-N 1 2 338.442 3.758 20 0 EHADLO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001169486202 1132776002 /nfs/dbraw/zinc/77/60/02/1132776002.db2.gz DEXZTMALKYBNGV-RDJZCZTQSA-N 1 2 338.442 3.758 20 0 EHADLO CCOC(=O)C1(CNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)CCC1 ZINC001169560037 1132786347 /nfs/dbraw/zinc/78/63/47/1132786347.db2.gz BHGZWNKYTHVNFW-UHFFFAOYSA-N 1 2 341.333 3.727 20 0 EHADLO COC(=O)C1(c2ccc(Nc3cc(Cl)c4[nH+]ccn4c3)cc2)CC1 ZINC001175918828 1132796592 /nfs/dbraw/zinc/79/65/92/1132796592.db2.gz MZIKTEMICTWGON-UHFFFAOYSA-N 1 2 341.798 3.936 20 0 EHADLO COC(=O)C1(c2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC001175920130 1132797876 /nfs/dbraw/zinc/79/78/76/1132797876.db2.gz CXZIKGBWQROCHG-UHFFFAOYSA-N 1 2 347.418 3.880 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(N[C@@H]2CCc3ccccc3[C@H]2O)c1C ZINC001169627267 1132800848 /nfs/dbraw/zinc/80/08/48/1132800848.db2.gz RRZMYMZIALTQCP-IAGOWNOFSA-N 1 2 325.456 3.851 20 0 EHADLO COc1cc[nH+]cc1Nc1sc(-c2ccccc2)cc1C(N)=O ZINC001176119322 1132852020 /nfs/dbraw/zinc/85/20/20/1132852020.db2.gz VYDMDNYTEHNBLR-UHFFFAOYSA-N 1 2 325.393 3.661 20 0 EHADLO c1csc(Cn2cc(Nc3ccc(N4CCCC4)[nH+]c3)cn2)c1 ZINC001176160090 1132868445 /nfs/dbraw/zinc/86/84/45/1132868445.db2.gz QVIOPOZWZLHXMQ-UHFFFAOYSA-N 1 2 325.441 3.732 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CSc3ccncc3)cc2)[nH+]c1C ZINC001176211033 1132875402 /nfs/dbraw/zinc/87/54/02/1132875402.db2.gz LEPSKCYOEXNOKG-UHFFFAOYSA-N 1 2 338.436 3.819 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2c(c1)CCC2=O ZINC001176232524 1132881601 /nfs/dbraw/zinc/88/16/01/1132881601.db2.gz VEHWPAYAZBBIRD-UHFFFAOYSA-N 1 2 348.406 3.711 20 0 EHADLO COC(=O)C[N@H+](CCC=C(C)C)Cc1cccc(Br)c1 ZINC001169942595 1132903550 /nfs/dbraw/zinc/90/35/50/1132903550.db2.gz OMGNPTSPHZEYDH-UHFFFAOYSA-N 1 2 340.261 3.780 20 0 EHADLO COC(=O)C[N@@H+](CCC=C(C)C)Cc1cccc(Br)c1 ZINC001169942595 1132903555 /nfs/dbraw/zinc/90/35/55/1132903555.db2.gz OMGNPTSPHZEYDH-UHFFFAOYSA-N 1 2 340.261 3.780 20 0 EHADLO CN(C)c1ccc(Nc2cccc3c2cnn3[C@H]2CCCCO2)c[nH+]1 ZINC001176315644 1132912222 /nfs/dbraw/zinc/91/22/22/1132912222.db2.gz LGMKNHXOKNQJIB-LJQANCHMSA-N 1 2 337.427 3.940 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCOc3ccccc3[C@@H]2CO)c1 ZINC001176442192 1132931125 /nfs/dbraw/zinc/93/11/25/1132931125.db2.gz QJBBHSUYJRIVAQ-INIZCTEOSA-N 1 2 349.377 3.524 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+]2CCOc3ccccc3[C@@H]2CO)c1 ZINC001176442192 1132931132 /nfs/dbraw/zinc/93/11/32/1132931132.db2.gz QJBBHSUYJRIVAQ-INIZCTEOSA-N 1 2 349.377 3.524 20 0 EHADLO COc1ccc(O)cc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001176573958 1132970479 /nfs/dbraw/zinc/97/04/79/1132970479.db2.gz HZRAPAWRFJXBBS-UHFFFAOYSA-N 1 2 345.196 3.877 20 0 EHADLO Cc1ccc(Br)nc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749027 1132991901 /nfs/dbraw/zinc/99/19/01/1132991901.db2.gz PGTJPUYEPPCWLG-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Oc1cccc(Br)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750302 1132992939 /nfs/dbraw/zinc/99/29/39/1132992939.db2.gz BHGFVXCCGGGBFK-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO O[C@H](CNc1[nH+]cccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000767398704 1132996991 /nfs/dbraw/zinc/99/69/91/1132996991.db2.gz RCMFYZXRVGJMFC-GOSISDBHSA-N 1 2 338.382 3.945 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177014389 1133022101 /nfs/dbraw/zinc/02/21/01/1133022101.db2.gz WWTAIBBYMRIWLC-HXUWFJFHSA-N 1 2 338.426 3.880 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000767861036 1133061250 /nfs/dbraw/zinc/06/12/50/1133061250.db2.gz RYKMYLXDUYEKAT-KRWDZBQOSA-N 1 2 338.455 3.825 20 0 EHADLO CC(=O)c1ccccc1OCCSCc1cc[nH+]c(N(C)C)c1 ZINC000767867214 1133062183 /nfs/dbraw/zinc/06/21/83/1133062183.db2.gz BFEQFSBTYYSBSA-UHFFFAOYSA-N 1 2 330.453 3.662 20 0 EHADLO CC1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000773665784 1133062604 /nfs/dbraw/zinc/06/26/04/1133062604.db2.gz ACHUWERBIHNAMA-UHFFFAOYSA-N 1 2 347.890 3.519 20 0 EHADLO CC1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000773665784 1133062607 /nfs/dbraw/zinc/06/26/07/1133062607.db2.gz ACHUWERBIHNAMA-UHFFFAOYSA-N 1 2 347.890 3.519 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nn1C ZINC000767902675 1133069526 /nfs/dbraw/zinc/06/95/26/1133069526.db2.gz RHLVYGOUJMSRKE-IBGZPJMESA-N 1 2 341.480 3.526 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nn1C ZINC000767902675 1133069530 /nfs/dbraw/zinc/06/95/30/1133069530.db2.gz RHLVYGOUJMSRKE-IBGZPJMESA-N 1 2 341.480 3.526 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773671190 1133070766 /nfs/dbraw/zinc/07/07/66/1133070766.db2.gz VQQNWYDKMVPATK-HNNXBMFYSA-N 1 2 349.906 3.909 20 0 EHADLO CCCCC[C@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773671190 1133070771 /nfs/dbraw/zinc/07/07/71/1133070771.db2.gz VQQNWYDKMVPATK-HNNXBMFYSA-N 1 2 349.906 3.909 20 0 EHADLO CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767936602 1133072529 /nfs/dbraw/zinc/07/25/29/1133072529.db2.gz ARURZGBWNMRDQJ-LJQANCHMSA-N 1 2 340.471 3.983 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000767964532 1133078524 /nfs/dbraw/zinc/07/85/24/1133078524.db2.gz FIAOLAPUQUOKIC-QAPCUYQASA-N 1 2 334.847 3.610 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000767964532 1133078527 /nfs/dbraw/zinc/07/85/27/1133078527.db2.gz FIAOLAPUQUOKIC-QAPCUYQASA-N 1 2 334.847 3.610 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(C)(C)C ZINC001169984131 1133099040 /nfs/dbraw/zinc/09/90/40/1133099040.db2.gz FVNGGHOZXXCWOS-CQSZACIVSA-N 1 2 342.524 3.743 20 0 EHADLO CCCCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000768157828 1133102534 /nfs/dbraw/zinc/10/25/34/1133102534.db2.gz AMBZWXNYTAFDCW-GOSISDBHSA-N 1 2 325.456 3.783 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000768159862 1133102734 /nfs/dbraw/zinc/10/27/34/1133102734.db2.gz KOWYJYRWLLLKNB-XJKSGUPXSA-N 1 2 343.858 3.510 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000768241197 1133112244 /nfs/dbraw/zinc/11/22/44/1133112244.db2.gz MQPNGTZGINZUAD-UHFFFAOYSA-N 1 2 346.906 3.575 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC001177955585 1133121512 /nfs/dbraw/zinc/12/15/12/1133121512.db2.gz NJYDLUWBKBGDDN-CYBMUJFWSA-N 1 2 326.831 3.986 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC001177996879 1133122331 /nfs/dbraw/zinc/12/23/31/1133122331.db2.gz NXUVOXWTFXQIOF-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178100357 1133131601 /nfs/dbraw/zinc/13/16/01/1133131601.db2.gz OMLFMANLVKPHNY-LBPRGKRZSA-N 1 2 349.356 3.678 20 0 EHADLO Cc1c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)snc1-c1ccccc1 ZINC001178104031 1133131995 /nfs/dbraw/zinc/13/19/95/1133131995.db2.gz YAOYYPNLXQWGTO-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178116562 1133132609 /nfs/dbraw/zinc/13/26/09/1133132609.db2.gz NJUATXOQJYKHLM-MRXNPFEDSA-N 1 2 347.418 3.760 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001204223371 1133187906 /nfs/dbraw/zinc/18/79/06/1133187906.db2.gz GBGAIRVWNFFVJR-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001204223371 1133187908 /nfs/dbraw/zinc/18/79/08/1133187908.db2.gz GBGAIRVWNFFVJR-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO CCc1[nH]c(CNC(=O)c2sc(-c3ccc(C)cc3)nc2C)c[nH+]1 ZINC001178669111 1133188705 /nfs/dbraw/zinc/18/87/05/1133188705.db2.gz DWWPUSYRQKFIEX-UHFFFAOYSA-N 1 2 340.452 3.642 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2sc(-c3ccc(C)cc3)nc2C)[nH+]1 ZINC001178669111 1133188711 /nfs/dbraw/zinc/18/87/11/1133188711.db2.gz DWWPUSYRQKFIEX-UHFFFAOYSA-N 1 2 340.452 3.642 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC001178727503 1133198316 /nfs/dbraw/zinc/19/83/16/1133198316.db2.gz CCLAGDRNFVGXCF-JTQLQIEISA-N 1 2 329.753 3.751 20 0 EHADLO CCc1onc(C)c1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC001178844438 1133203811 /nfs/dbraw/zinc/20/38/11/1133203811.db2.gz MESTYRQOZNFCFB-UHFFFAOYSA-N 1 2 349.232 3.876 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+]Cc1cc(C)ccc1Br ZINC001178967061 1133217420 /nfs/dbraw/zinc/21/74/20/1133217420.db2.gz YSRHRMWTOVICCN-UHFFFAOYSA-N 1 2 342.668 3.917 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H](O)c1ccccc1 ZINC000769072325 1133225389 /nfs/dbraw/zinc/22/53/89/1133225389.db2.gz IJYOYJGGFVMSML-LJQANCHMSA-N 1 2 347.418 3.559 20 0 EHADLO FC1(F)Oc2cccc(C[NH2+]Cc3c[nH]c(-c4ccccc4)n3)c2O1 ZINC001179247540 1133238643 /nfs/dbraw/zinc/23/86/43/1133238643.db2.gz GOUVCGCTJTVECR-UHFFFAOYSA-N 1 2 343.333 3.688 20 0 EHADLO Cc1ccc2cc(C[NH2+]Cc3ncc(Br)s3)[nH]c2c1 ZINC001179418905 1133252682 /nfs/dbraw/zinc/25/26/82/1133252682.db2.gz CKNZGIUAEAWCBF-UHFFFAOYSA-N 1 2 336.258 3.985 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H](F)c1ccccc1 ZINC000769373288 1133272418 /nfs/dbraw/zinc/27/24/18/1133272418.db2.gz XCCMAHCBHUTSOK-SFHVURJKSA-N 1 2 339.370 3.611 20 0 EHADLO CN(C)c1ccc(NCc2ccc(NC(=O)OC(C)(C)C)nc2)[nH+]c1 ZINC000769403736 1133278126 /nfs/dbraw/zinc/27/81/26/1133278126.db2.gz QDEMTZMLSUFXQC-UHFFFAOYSA-N 1 2 343.431 3.502 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)oc2C(F)(F)F)c1C ZINC000769911615 1133357746 /nfs/dbraw/zinc/35/77/46/1133357746.db2.gz XMKSNJYHRROABV-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO CCCCOc1ccc(OC)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770069812 1133383694 /nfs/dbraw/zinc/38/36/94/1133383694.db2.gz OFMLEMHUMLSEEO-UHFFFAOYSA-N 1 2 339.395 3.774 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnn(C4CCC4)c3)CCO2)cc1 ZINC001180885718 1133419663 /nfs/dbraw/zinc/41/96/63/1133419663.db2.gz SIMYGEMCXOHPNM-HXUWFJFHSA-N 1 2 325.456 3.744 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnn(C4CCC4)c3)CCO2)cc1 ZINC001180885718 1133419665 /nfs/dbraw/zinc/41/96/65/1133419665.db2.gz SIMYGEMCXOHPNM-HXUWFJFHSA-N 1 2 325.456 3.744 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(Cc2cccc(F)c2)CC1 ZINC000770414103 1133425278 /nfs/dbraw/zinc/42/52/78/1133425278.db2.gz ZTGATPGGPKGQHL-UHFFFAOYSA-N 1 2 337.398 3.568 20 0 EHADLO O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccc2[nH+]ccn21 ZINC000770416099 1133426179 /nfs/dbraw/zinc/42/61/79/1133426179.db2.gz RXVNUMRWNLQHBE-UHFFFAOYSA-N 1 2 341.370 3.818 20 0 EHADLO CCOc1cc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC000770468452 1133433916 /nfs/dbraw/zinc/43/39/16/1133433916.db2.gz IVWXPNJCZOGOOA-ONNFQVAWSA-N 1 2 349.390 3.629 20 0 EHADLO Nc1cc(CC(=O)Nc2cc(-c3ccccc3)cc(Cl)n2)cc[nH+]1 ZINC001181239517 1133468312 /nfs/dbraw/zinc/46/83/12/1133468312.db2.gz ASFOCLFGHKGFFO-UHFFFAOYSA-N 1 2 338.798 3.560 20 0 EHADLO C[C@@H]1CN(c2ccc(NC[C@@H]3C[C@@H]3c3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC001181348666 1133483197 /nfs/dbraw/zinc/48/31/97/1133483197.db2.gz HWCQWASQAAMEGY-WBQJQJEBSA-N 1 2 337.467 3.911 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cccn1Cc1ccccc1 ZINC000770925607 1133484737 /nfs/dbraw/zinc/48/47/37/1133484737.db2.gz NPLMWADRVOMDPN-UHFFFAOYSA-N 1 2 331.375 3.541 20 0 EHADLO CCN1CC[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)[C@@H](C)C1 ZINC001181708667 1133514494 /nfs/dbraw/zinc/51/44/94/1133514494.db2.gz ZJRIOCBBKMHEHL-INIZCTEOSA-N 1 2 329.513 3.953 20 0 EHADLO CCN1CC[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)[C@@H](C)C1 ZINC001181708667 1133514497 /nfs/dbraw/zinc/51/44/97/1133514497.db2.gz ZJRIOCBBKMHEHL-INIZCTEOSA-N 1 2 329.513 3.953 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC001181760252 1133522787 /nfs/dbraw/zinc/52/27/87/1133522787.db2.gz NLVMOJOBIPELDH-FQEVSTJZSA-N 1 2 331.419 3.561 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Br)cc1O ZINC001182115617 1133573922 /nfs/dbraw/zinc/57/39/22/1133573922.db2.gz NHLBNBZLRGELRP-NEPJUHHUSA-N 1 2 327.266 3.856 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCCCOc1ccc2ccccc2c1 ZINC000771664061 1133580817 /nfs/dbraw/zinc/58/08/17/1133580817.db2.gz IGXCDDLUUSGQGD-UHFFFAOYSA-N 1 2 335.407 3.745 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N1CCn2cccc2C1)c1ccccc1Cl ZINC001182228466 1133593092 /nfs/dbraw/zinc/59/30/92/1133593092.db2.gz XPKCQIQRHDZBBI-SFHVURJKSA-N 1 2 345.874 3.567 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C(F)(F)F)nc1Cl ZINC000774192776 1133629589 /nfs/dbraw/zinc/62/95/89/1133629589.db2.gz USISWSQCGMQWNS-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C\c3ccccc3Cl)[nH+]c12 ZINC000746539700 1133684896 /nfs/dbraw/zinc/68/48/96/1133684896.db2.gz MJDJNJPQTDQDDY-HJWRWDBZSA-N 1 2 339.826 3.668 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)cc2[nH+]1 ZINC000772573064 1133701703 /nfs/dbraw/zinc/70/17/03/1133701703.db2.gz VAMIPQUBHLBTTA-INIZCTEOSA-N 1 2 329.787 3.587 20 0 EHADLO C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1 ZINC001182595554 1133706970 /nfs/dbraw/zinc/70/69/70/1133706970.db2.gz TVWVTQMPJSTABF-NXHRZFHOSA-N 1 2 332.488 3.893 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)OCc1ccccc1 ZINC001182624843 1133707309 /nfs/dbraw/zinc/70/73/09/1133707309.db2.gz HFSBBSBNQLIVOR-JQHSSLGASA-N 1 2 345.483 3.834 20 0 EHADLO Brc1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000772660711 1133709042 /nfs/dbraw/zinc/70/90/42/1133709042.db2.gz IINIYYORWPERJY-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccnn1CCc1ccccc1 ZINC001182755044 1133724134 /nfs/dbraw/zinc/72/41/34/1133724134.db2.gz PPDZVHSATPFWHB-QUCCMNQESA-N 1 2 327.472 3.515 20 0 EHADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccnn1CCc1ccccc1 ZINC001182755044 1133724139 /nfs/dbraw/zinc/72/41/39/1133724139.db2.gz PPDZVHSATPFWHB-QUCCMNQESA-N 1 2 327.472 3.515 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000785566323 1133728046 /nfs/dbraw/zinc/72/80/46/1133728046.db2.gz MNWCZGYBDCSLGG-INIZCTEOSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC001182865193 1133740976 /nfs/dbraw/zinc/74/09/76/1133740976.db2.gz TZSAMHCSFSVUOZ-MRXNPFEDSA-N 1 2 347.352 3.768 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCO1 ZINC001182865193 1133740980 /nfs/dbraw/zinc/74/09/80/1133740980.db2.gz TZSAMHCSFSVUOZ-MRXNPFEDSA-N 1 2 347.352 3.768 20 0 EHADLO COc1ccc([C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)C)cc1 ZINC001182989362 1133754113 /nfs/dbraw/zinc/75/41/13/1133754113.db2.gz NOZVVXKXWXGMLR-AEFFLSMTSA-N 1 2 341.455 3.564 20 0 EHADLO C[C@H](NC(=O)c1cc2ncccc2o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183030219 1133759316 /nfs/dbraw/zinc/75/93/16/1133759316.db2.gz OGKDZKKBMPWARA-ZDUSSCGKSA-N 1 2 332.363 3.505 20 0 EHADLO C[C@@H](NC(=O)C1(Oc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183031487 1133759364 /nfs/dbraw/zinc/75/93/64/1133759364.db2.gz VMEGCWWHTFBRSU-MRXNPFEDSA-N 1 2 347.418 3.661 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC001183065574 1133765377 /nfs/dbraw/zinc/76/53/77/1133765377.db2.gz MJMUTLIYTOTTCD-UHFFFAOYSA-N 1 2 349.425 3.683 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC001183065574 1133765383 /nfs/dbraw/zinc/76/53/83/1133765383.db2.gz MJMUTLIYTOTTCD-UHFFFAOYSA-N 1 2 349.425 3.683 20 0 EHADLO CCCn1c[nH+]cc1CN[C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC001183215885 1133779325 /nfs/dbraw/zinc/77/93/25/1133779325.db2.gz FABDXWTXJBQDDC-SFHVURJKSA-N 1 2 349.862 3.515 20 0 EHADLO Cc1c2ccccc2sc1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001183244828 1133784550 /nfs/dbraw/zinc/78/45/50/1133784550.db2.gz UURFALARTCRLIP-AWEZNQCLSA-N 1 2 339.464 3.882 20 0 EHADLO Cc1ccn2cnc(C(=O)Nc3cc(-c4[nH]cc[nH+]4)ccc3C)c2c1 ZINC001183348899 1133797315 /nfs/dbraw/zinc/79/73/15/1133797315.db2.gz DQLQZNZZRGLGSB-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC001183454101 1133809316 /nfs/dbraw/zinc/80/93/16/1133809316.db2.gz IYHVOMYEJMVBET-AZUAARDMSA-N 1 2 341.499 3.736 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC001183552067 1133822634 /nfs/dbraw/zinc/82/26/34/1133822634.db2.gz ZSKYUGNKHVYVBA-KXBFYZLASA-N 1 2 328.456 3.733 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCOCC[C@H]3C)c2=S)c1 ZINC000774660623 1133840061 /nfs/dbraw/zinc/84/00/61/1133840061.db2.gz VXWGZNZNEHEWRL-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCOCC[C@H]3C)c2=S)c1 ZINC000774660623 1133840065 /nfs/dbraw/zinc/84/00/65/1133840065.db2.gz VXWGZNZNEHEWRL-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001184671148 1133968966 /nfs/dbraw/zinc/96/89/66/1133968966.db2.gz YKQFTQLKLLQBLR-UHFFFAOYSA-N 1 2 343.805 3.596 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccco1 ZINC000787297653 1133985552 /nfs/dbraw/zinc/98/55/52/1133985552.db2.gz ZQEWVFJWSQWTSU-SNVBAGLBSA-N 1 2 334.725 3.824 20 0 EHADLO O=C(CC1(c2ccc(F)cc2)CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001184878214 1134002277 /nfs/dbraw/zinc/00/22/77/1134002277.db2.gz PKNIYBQTUZQYHH-OAHLLOKOSA-N 1 2 341.430 3.767 20 0 EHADLO CCCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184963845 1134008231 /nfs/dbraw/zinc/00/82/31/1134008231.db2.gz CLRRZKMZFRJTMH-UHFFFAOYSA-N 1 2 325.412 3.992 20 0 EHADLO COC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1Cl ZINC001185044683 1134025066 /nfs/dbraw/zinc/02/50/66/1134025066.db2.gz ZPDQKLPBSLISFB-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(F)ccc1F ZINC000788052328 1134071204 /nfs/dbraw/zinc/07/12/04/1134071204.db2.gz NIMXANWTHQXIRR-UHFFFAOYSA-N 1 2 328.318 3.816 20 0 EHADLO C[C@H](CC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872997 1134089654 /nfs/dbraw/zinc/08/96/54/1134089654.db2.gz DJOZWLCISLCABU-RHSMWYFYSA-N 1 2 327.428 3.514 20 0 EHADLO C[C@H](CC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000774872997 1134089661 /nfs/dbraw/zinc/08/96/61/1134089661.db2.gz DJOZWLCISLCABU-RHSMWYFYSA-N 1 2 327.428 3.514 20 0 EHADLO Cc1ncsc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239069 1134099213 /nfs/dbraw/zinc/09/92/13/1134099213.db2.gz BVROZPHUKSLNDY-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1ncsc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239069 1134099220 /nfs/dbraw/zinc/09/92/20/1134099220.db2.gz BVROZPHUKSLNDY-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788241850 1134099813 /nfs/dbraw/zinc/09/98/13/1134099813.db2.gz IMFIAJLIOWPEAP-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788241850 1134099814 /nfs/dbraw/zinc/09/98/14/1134099814.db2.gz IMFIAJLIOWPEAP-CQSZACIVSA-N 1 2 327.428 3.646 20 0 EHADLO CSCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788249075 1134100439 /nfs/dbraw/zinc/10/04/39/1134100439.db2.gz YZGQOVIXSPXLQL-AWEZNQCLSA-N 1 2 335.517 3.574 20 0 EHADLO CSCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788249075 1134100443 /nfs/dbraw/zinc/10/04/43/1134100443.db2.gz YZGQOVIXSPXLQL-AWEZNQCLSA-N 1 2 335.517 3.574 20 0 EHADLO C[N@H+](Cc1cnc(Cl)cn1)Cc1ccccc1OC(F)(F)F ZINC000788471727 1134129381 /nfs/dbraw/zinc/12/93/81/1134129381.db2.gz ZWXRLLSTZTVWTR-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[N@@H+](Cc1cnc(Cl)cn1)Cc1ccccc1OC(F)(F)F ZINC000788471727 1134129385 /nfs/dbraw/zinc/12/93/85/1134129385.db2.gz ZWXRLLSTZTVWTR-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788729697 1134163781 /nfs/dbraw/zinc/16/37/81/1134163781.db2.gz SRBXILGFOAZKOS-AWEZNQCLSA-N 1 2 345.487 3.736 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788729697 1134163784 /nfs/dbraw/zinc/16/37/84/1134163784.db2.gz SRBXILGFOAZKOS-AWEZNQCLSA-N 1 2 345.487 3.736 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C)c(Cl)c2F)c1C ZINC000788743196 1134168991 /nfs/dbraw/zinc/16/89/91/1134168991.db2.gz UKZURDAEHMXJGX-UHFFFAOYSA-N 1 2 336.794 3.738 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCCc1c(Cl)cccc1Cl ZINC001186873302 1134264530 /nfs/dbraw/zinc/26/45/30/1134264530.db2.gz VWAIDQNQOBEHTA-UHFFFAOYSA-N 1 2 336.226 3.715 20 0 EHADLO Cc1cc(Oc2ccc(NC(=O)NCC3CCOCC3)cc2)cc[nH+]1 ZINC001186942246 1134272822 /nfs/dbraw/zinc/27/28/22/1134272822.db2.gz FTFPZUOWJVEUER-UHFFFAOYSA-N 1 2 341.411 3.730 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000789481089 1134289721 /nfs/dbraw/zinc/28/97/21/1134289721.db2.gz OMVZNNUVBGNOKE-ZENOOKHLSA-N 1 2 347.330 3.744 20 0 EHADLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000789481089 1134289724 /nfs/dbraw/zinc/28/97/24/1134289724.db2.gz OMVZNNUVBGNOKE-ZENOOKHLSA-N 1 2 347.330 3.744 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000789527893 1134290895 /nfs/dbraw/zinc/29/08/95/1134290895.db2.gz MHRBZRACFNZEMO-OAHLLOKOSA-N 1 2 326.362 3.582 20 0 EHADLO Fc1nc(F)c(F)c(NCCn2c[nH+]cc2-c2ccccc2)c1F ZINC001187190646 1134308174 /nfs/dbraw/zinc/30/81/74/1134308174.db2.gz STTKZCCPZHNKDN-UHFFFAOYSA-N 1 2 336.292 3.614 20 0 EHADLO CCOc1cccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c1 ZINC001273537048 1134313000 /nfs/dbraw/zinc/31/30/00/1134313000.db2.gz UDKGQQQXTVWUIT-UHFFFAOYSA-N 1 2 335.407 3.952 20 0 EHADLO Cc1cc(NCc2ccnc(-c3cnn(C)c3)c2)[nH+]cc1C(F)(F)F ZINC001170115816 1134321953 /nfs/dbraw/zinc/32/19/53/1134321953.db2.gz LBXMIPQWQOATOE-UHFFFAOYSA-N 1 2 347.344 3.816 20 0 EHADLO S=C(Nc1ccsc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000790325482 1134396318 /nfs/dbraw/zinc/39/63/18/1134396318.db2.gz LUUHNWGXSABVTO-UHFFFAOYSA-N 1 2 334.514 3.834 20 0 EHADLO CC(C)(C)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425853 1134414560 /nfs/dbraw/zinc/41/45/60/1134414560.db2.gz DNOAXRWBVJVTAG-CABCVRRESA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425853 1134414563 /nfs/dbraw/zinc/41/45/63/1134414563.db2.gz DNOAXRWBVJVTAG-CABCVRRESA-N 1 2 332.271 3.774 20 0 EHADLO CC[C@H](C)CS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790425220 1134415218 /nfs/dbraw/zinc/41/52/18/1134415218.db2.gz ZGPLGVWZKXJZMZ-AWEZNQCLSA-N 1 2 348.468 3.641 20 0 EHADLO COCC[N@H+](Cn1nc(OC(C)C)sc1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790480198 1134423420 /nfs/dbraw/zinc/42/34/20/1134423420.db2.gz RFIVVMIIEZHXDV-CHWSQXEVSA-N 1 2 345.534 3.556 20 0 EHADLO COCC[N@@H+](Cn1nc(OC(C)C)sc1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790480198 1134423425 /nfs/dbraw/zinc/42/34/25/1134423425.db2.gz RFIVVMIIEZHXDV-CHWSQXEVSA-N 1 2 345.534 3.556 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2cccc(C(F)F)c2)c1C ZINC000790547854 1134433068 /nfs/dbraw/zinc/43/30/68/1134433068.db2.gz YWPHMGHTWZXCGK-UHFFFAOYSA-N 1 2 334.366 3.504 20 0 EHADLO Cc1csc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1Cl ZINC000790680149 1134449780 /nfs/dbraw/zinc/44/97/80/1134449780.db2.gz SLSVSXOPHXFHSK-UHFFFAOYSA-N 1 2 336.835 3.511 20 0 EHADLO Cc1csc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1Cl ZINC000790680149 1134449783 /nfs/dbraw/zinc/44/97/83/1134449783.db2.gz SLSVSXOPHXFHSK-UHFFFAOYSA-N 1 2 336.835 3.511 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001188403308 1134465466 /nfs/dbraw/zinc/46/54/66/1134465466.db2.gz FVXMVHPHQXNXBR-ZDUSSCGKSA-N 1 2 349.793 3.949 20 0 EHADLO CN(c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1F)C1CCCCC1 ZINC000791210095 1134520581 /nfs/dbraw/zinc/52/05/81/1134520581.db2.gz UIZMLKMGPBEIAK-UHFFFAOYSA-N 1 2 344.434 3.889 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COC1CCCCC1 ZINC000791337868 1134533781 /nfs/dbraw/zinc/53/37/81/1134533781.db2.gz MMOLRFLKKXFMAZ-UHFFFAOYSA-N 1 2 328.412 3.573 20 0 EHADLO CSc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000791381915 1134538114 /nfs/dbraw/zinc/53/81/14/1134538114.db2.gz TXEDCPATCZKZGZ-UHFFFAOYSA-N 1 2 328.393 3.853 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791540011 1134566508 /nfs/dbraw/zinc/56/65/08/1134566508.db2.gz JODIPVLHTKXZIL-OBGWFSINSA-N 1 2 343.492 3.637 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791540011 1134566514 /nfs/dbraw/zinc/56/65/14/1134566514.db2.gz JODIPVLHTKXZIL-OBGWFSINSA-N 1 2 343.492 3.637 20 0 EHADLO CCCCOc1ccc(NC(=O)NCc2c[nH+]cn2C(C)C)cc1 ZINC001189331848 1134572477 /nfs/dbraw/zinc/57/24/77/1134572477.db2.gz BWAOKAXYNRMWKF-UHFFFAOYSA-N 1 2 330.432 3.965 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791552458 1134572539 /nfs/dbraw/zinc/57/25/39/1134572539.db2.gz IDTHBJYMWKOWLA-SIFCLUCFSA-N 1 2 338.451 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791552458 1134572542 /nfs/dbraw/zinc/57/25/42/1134572542.db2.gz IDTHBJYMWKOWLA-SIFCLUCFSA-N 1 2 338.451 3.666 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000791558169 1134573235 /nfs/dbraw/zinc/57/32/35/1134573235.db2.gz PKRAXVXRQLPEBC-UHNFBRDESA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC000791558169 1134573240 /nfs/dbraw/zinc/57/32/40/1134573240.db2.gz PKRAXVXRQLPEBC-UHNFBRDESA-N 1 2 330.255 3.526 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C[C@@H]2CC2(Cl)Cl)sc1C ZINC000791614751 1134577041 /nfs/dbraw/zinc/57/70/41/1134577041.db2.gz IPQKRTUKOCABHT-VHSXEESVSA-N 1 2 349.283 3.569 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2C[C@@H]2CC2(Cl)Cl)sc1C ZINC000791614751 1134577044 /nfs/dbraw/zinc/57/70/44/1134577044.db2.gz IPQKRTUKOCABHT-VHSXEESVSA-N 1 2 349.283 3.569 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCOC2=O)cc1 ZINC000775268744 1134601996 /nfs/dbraw/zinc/60/19/96/1134601996.db2.gz XXMWZPXJFPHWBB-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791840023 1134618222 /nfs/dbraw/zinc/61/82/22/1134618222.db2.gz NYZVBHXPTMMWIP-QGZVFWFLSA-N 1 2 330.453 3.665 20 0 EHADLO CC(=O)c1c(F)cccc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189750218 1134620505 /nfs/dbraw/zinc/62/05/05/1134620505.db2.gz CUTKCTUHFPAYDQ-UHFFFAOYSA-N 1 2 344.386 3.860 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1ccccc1-c1ccccc1 ZINC001189731334 1134622604 /nfs/dbraw/zinc/62/26/04/1134622604.db2.gz AGQJZYDNWTZHSE-QGZVFWFLSA-N 1 2 341.430 3.909 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1ccccc1-c1ccccc1 ZINC001189731334 1134622608 /nfs/dbraw/zinc/62/26/08/1134622608.db2.gz AGQJZYDNWTZHSE-QGZVFWFLSA-N 1 2 341.430 3.909 20 0 EHADLO Nc1cc(COC(=O)CCCc2csc3ccccc23)cc[nH+]1 ZINC000792011266 1134641382 /nfs/dbraw/zinc/64/13/82/1134641382.db2.gz MXYLIJQWJYXBPO-UHFFFAOYSA-N 1 2 326.421 3.945 20 0 EHADLO Cc1ccc2c(CCNC(=O)c3ccccc3-n3cc[nH+]c3)c[nH]c2c1 ZINC001190106831 1134656609 /nfs/dbraw/zinc/65/66/09/1134656609.db2.gz LPGYLXCDPKQFPE-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO O=C(Nc1ccc(OCC2CCC2)nc1)c1ccccc1-n1cc[nH+]c1 ZINC001190075476 1134658238 /nfs/dbraw/zinc/65/82/38/1134658238.db2.gz TUCPMYIQOXMQEW-UHFFFAOYSA-N 1 2 348.406 3.699 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Oc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000792158625 1134659158 /nfs/dbraw/zinc/65/91/58/1134659158.db2.gz IWZCBDRTEAFUAQ-ICSRJNTNSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Oc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000792158625 1134659159 /nfs/dbraw/zinc/65/91/59/1134659159.db2.gz IWZCBDRTEAFUAQ-ICSRJNTNSA-N 1 2 339.435 3.789 20 0 EHADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000792179153 1134664497 /nfs/dbraw/zinc/66/44/97/1134664497.db2.gz JABFGPLMCHWDPV-SFHVURJKSA-N 1 2 333.334 3.506 20 0 EHADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000792179153 1134664500 /nfs/dbraw/zinc/66/45/00/1134664500.db2.gz JABFGPLMCHWDPV-SFHVURJKSA-N 1 2 333.334 3.506 20 0 EHADLO Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001190342379 1134686098 /nfs/dbraw/zinc/68/60/98/1134686098.db2.gz BXGTVRRQWDEKHA-UHFFFAOYSA-N 1 2 333.351 3.942 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC001190418187 1134697706 /nfs/dbraw/zinc/69/77/06/1134697706.db2.gz WNYLWXGLDGATOQ-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC001190418187 1134697707 /nfs/dbraw/zinc/69/77/07/1134697707.db2.gz WNYLWXGLDGATOQ-UHFFFAOYSA-N 1 2 326.415 3.991 20 0 EHADLO CCCc1cc[nH+]c(Nc2ccc(C(=O)N3CCC(=O)CC3)cc2)c1 ZINC001190454449 1134703414 /nfs/dbraw/zinc/70/34/14/1134703414.db2.gz ZXUNGVFKRZCXHP-UHFFFAOYSA-N 1 2 337.423 3.583 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001190721510 1134742396 /nfs/dbraw/zinc/74/23/96/1134742396.db2.gz NKGSBAZUWLVOTJ-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001190721510 1134742403 /nfs/dbraw/zinc/74/24/03/1134742403.db2.gz NKGSBAZUWLVOTJ-UHFFFAOYSA-N 1 2 342.842 3.779 20 0 EHADLO Oc1cc(Br)cnc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001206048373 1134755005 /nfs/dbraw/zinc/75/50/05/1134755005.db2.gz SRZDXLFLSKALTL-ZDUSSCGKSA-N 1 2 347.256 3.759 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)c2ccncc2)cc1 ZINC001190886987 1134763436 /nfs/dbraw/zinc/76/34/36/1134763436.db2.gz IDYSPCHSQYGOHF-UHFFFAOYSA-N 1 2 333.457 3.509 20 0 EHADLO COc1cc(C)ccc1OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000792867487 1134802850 /nfs/dbraw/zinc/80/28/50/1134802850.db2.gz OZPPGGNYQNUFKV-UHFFFAOYSA-N 1 2 346.333 3.546 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191398717 1134855810 /nfs/dbraw/zinc/85/58/10/1134855810.db2.gz NCDSJEIIAVEBHD-UHFFFAOYSA-N 1 2 338.386 3.984 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCCc1c[nH+]cn1C ZINC000793256892 1134891509 /nfs/dbraw/zinc/89/15/09/1134891509.db2.gz FGUVDRBWDWYCSI-FLIBITNWSA-N 1 2 339.222 3.916 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000793256841 1134891852 /nfs/dbraw/zinc/89/18/52/1134891852.db2.gz DEAMGKXPDVHCKX-UHFFFAOYSA-N 1 2 330.472 3.893 20 0 EHADLO CC(C)COc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793364913 1134910886 /nfs/dbraw/zinc/91/08/86/1134910886.db2.gz CGMZJEYTDCZYRG-UHFFFAOYSA-N 1 2 348.874 3.764 20 0 EHADLO CC(C)COc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793364913 1134910891 /nfs/dbraw/zinc/91/08/91/1134910891.db2.gz CGMZJEYTDCZYRG-UHFFFAOYSA-N 1 2 348.874 3.764 20 0 EHADLO COc1ccc(C(F)(F)F)c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001191805797 1134926968 /nfs/dbraw/zinc/92/69/68/1134926968.db2.gz YBLHJLNLVFDMTK-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014809 1134956086 /nfs/dbraw/zinc/95/60/86/1134956086.db2.gz VUZQTYFMYRGOFX-KUHUBIRLSA-N 1 2 347.842 3.714 20 0 EHADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC001192014809 1134956091 /nfs/dbraw/zinc/95/60/91/1134956091.db2.gz VUZQTYFMYRGOFX-KUHUBIRLSA-N 1 2 347.842 3.714 20 0 EHADLO O=C1SCCN1C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000793779667 1134993407 /nfs/dbraw/zinc/99/34/07/1134993407.db2.gz IZUSVXJWQNGWFC-ZDUSSCGKSA-N 1 2 328.890 3.633 20 0 EHADLO O=C1SCCN1C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000793779667 1134993414 /nfs/dbraw/zinc/99/34/14/1134993414.db2.gz IZUSVXJWQNGWFC-ZDUSSCGKSA-N 1 2 328.890 3.633 20 0 EHADLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)Cc2cccc(F)c2)c1 ZINC000793855246 1135000645 /nfs/dbraw/zinc/00/06/45/1135000645.db2.gz ZAKMRCXJPXKWDX-UHFFFAOYSA-N 1 2 338.329 3.977 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(OCc2ccccc2)n1 ZINC001192341585 1135001613 /nfs/dbraw/zinc/00/16/13/1135001613.db2.gz MQZLOBATWXEAMA-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)C(C)(C)C)cn1 ZINC000775547186 1135055577 /nfs/dbraw/zinc/05/55/77/1135055577.db2.gz CKTIHQGPPAVPSS-HNNXBMFYSA-N 1 2 347.331 3.993 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804435639 1135068703 /nfs/dbraw/zinc/06/87/03/1135068703.db2.gz HEIQDPBWDXMTAU-GGPKGHCWSA-N 1 2 338.536 3.695 20 0 EHADLO C[C@@H]1CCOCC[N@@H+]1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000775569513 1135103668 /nfs/dbraw/zinc/10/36/68/1135103668.db2.gz XGXYSFJQJKTKDC-CYBMUJFWSA-N 1 2 336.888 3.998 20 0 EHADLO C[C@@H]1CCOCC[N@H+]1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000775569513 1135103672 /nfs/dbraw/zinc/10/36/72/1135103672.db2.gz XGXYSFJQJKTKDC-CYBMUJFWSA-N 1 2 336.888 3.998 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684532 1135171444 /nfs/dbraw/zinc/17/14/44/1135171444.db2.gz BKFUEGNWNOCDGL-ABAIWWIYSA-N 1 2 346.254 3.646 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684532 1135171451 /nfs/dbraw/zinc/17/14/51/1135171451.db2.gz BKFUEGNWNOCDGL-ABAIWWIYSA-N 1 2 346.254 3.646 20 0 EHADLO CCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)OCC ZINC001194030569 1135216765 /nfs/dbraw/zinc/21/67/65/1135216765.db2.gz PUYTUHPSUQUBME-NHYWBVRUSA-N 1 2 348.270 3.690 20 0 EHADLO CCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)OCC ZINC001194030569 1135216769 /nfs/dbraw/zinc/21/67/69/1135216769.db2.gz PUYTUHPSUQUBME-NHYWBVRUSA-N 1 2 348.270 3.690 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000747228054 1135229361 /nfs/dbraw/zinc/22/93/61/1135229361.db2.gz TVDJMCPAJGHDFU-UHFFFAOYSA-N 1 2 329.835 3.612 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001194205125 1135243239 /nfs/dbraw/zinc/24/32/39/1135243239.db2.gz HMLIDUBOEWYQPO-UHFFFAOYSA-N 1 2 333.407 3.877 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001194466133 1135271359 /nfs/dbraw/zinc/27/13/59/1135271359.db2.gz AZDDTRKFSBFHDM-VXGBXAGGSA-N 1 2 328.815 3.703 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001194466133 1135271363 /nfs/dbraw/zinc/27/13/63/1135271363.db2.gz AZDDTRKFSBFHDM-VXGBXAGGSA-N 1 2 328.815 3.703 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC001194541062 1135283904 /nfs/dbraw/zinc/28/39/04/1135283904.db2.gz BWNVRQUBNWYRDC-CMPLNLGQSA-N 1 2 331.243 3.827 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC001194541062 1135283909 /nfs/dbraw/zinc/28/39/09/1135283909.db2.gz BWNVRQUBNWYRDC-CMPLNLGQSA-N 1 2 331.243 3.827 20 0 EHADLO CC[C@@H]1CC([NH+]2CC(C)(F)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484744 1135290966 /nfs/dbraw/zinc/29/09/66/1135290966.db2.gz QTNFMRAMVLDNOM-ZIAGYGMSSA-N 1 2 328.472 3.987 20 0 EHADLO O=C(Oc1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001195001828 1135351970 /nfs/dbraw/zinc/35/19/70/1135351970.db2.gz UEKPOLNKWOIYCY-QPJJXVBHSA-N 1 2 340.398 3.656 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nsc2ccccc12)CC1CC1 ZINC001195342411 1135414674 /nfs/dbraw/zinc/41/46/74/1135414674.db2.gz PCWPZVPBLIVAPS-SFHVURJKSA-N 1 2 332.469 3.850 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nsc2ccccc12)CC1CC1 ZINC001195342411 1135414679 /nfs/dbraw/zinc/41/46/79/1135414679.db2.gz PCWPZVPBLIVAPS-SFHVURJKSA-N 1 2 332.469 3.850 20 0 EHADLO O=S(=O)(Nc1ccc([NH+]2CCCCCC2)cc1)c1ccc(O)cc1 ZINC001195794858 1135470538 /nfs/dbraw/zinc/47/05/38/1135470538.db2.gz KXJSCDNOYHNMRW-UHFFFAOYSA-N 1 2 346.452 3.573 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829902823 1135472884 /nfs/dbraw/zinc/47/28/84/1135472884.db2.gz RLIFAQCGNDJGSG-IAQYHMDHSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829902823 1135472886 /nfs/dbraw/zinc/47/28/86/1135472886.db2.gz RLIFAQCGNDJGSG-IAQYHMDHSA-N 1 2 343.302 3.896 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCC(C)(C)C)cc1F ZINC001195926678 1135491687 /nfs/dbraw/zinc/49/16/87/1135491687.db2.gz ACHQNGRCQNMEFX-INIZCTEOSA-N 1 2 336.451 3.524 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCCC(C)(C)C)cc1F ZINC001195926678 1135491692 /nfs/dbraw/zinc/49/16/92/1135491692.db2.gz ACHQNGRCQNMEFX-INIZCTEOSA-N 1 2 336.451 3.524 20 0 EHADLO CC[N@H+](CC(=O)N[C@H]1CC[C@@H](SC)C1)Cc1ccccc1Cl ZINC000806944622 1135508507 /nfs/dbraw/zinc/50/85/07/1135508507.db2.gz IIPAARBFRYMRHL-LSDHHAIUSA-N 1 2 340.920 3.562 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H]1CC[C@@H](SC)C1)Cc1ccccc1Cl ZINC000806944622 1135508513 /nfs/dbraw/zinc/50/85/13/1135508513.db2.gz IIPAARBFRYMRHL-LSDHHAIUSA-N 1 2 340.920 3.562 20 0 EHADLO Cc1cccc(Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1F ZINC000867160958 1135521989 /nfs/dbraw/zinc/52/19/89/1135521989.db2.gz UUMOACFBBUIIAX-SFHVURJKSA-N 1 2 325.387 3.759 20 0 EHADLO Cc1cccc(NC(=S)NCc2c[nH+]cn2CC2CCC2)c1C ZINC001196443483 1135558478 /nfs/dbraw/zinc/55/84/78/1135558478.db2.gz ZFQAEVRGHHQCPI-UHFFFAOYSA-N 1 2 328.485 3.787 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001196573518 1135584253 /nfs/dbraw/zinc/58/42/53/1135584253.db2.gz HVJMLIOCCZTZHW-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO Cc1cc(OC(C)C)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001196770042 1135612783 /nfs/dbraw/zinc/61/27/83/1135612783.db2.gz SLEUULBQHYYKRR-OAHLLOKOSA-N 1 2 327.428 3.525 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000808162489 1135619405 /nfs/dbraw/zinc/61/94/05/1135619405.db2.gz LMWJQRIMMWNATB-IEBWSBKVSA-N 1 2 332.513 3.691 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)C1 ZINC000808162489 1135619408 /nfs/dbraw/zinc/61/94/08/1135619408.db2.gz LMWJQRIMMWNATB-IEBWSBKVSA-N 1 2 332.513 3.691 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000808179339 1135626430 /nfs/dbraw/zinc/62/64/30/1135626430.db2.gz SASZVBRVCVXUBJ-LJQANCHMSA-N 1 2 336.426 3.750 20 0 EHADLO S=C(Nc1cccc(Br)c1)Nc1cccc2[nH+]ccn21 ZINC001196973055 1135630003 /nfs/dbraw/zinc/63/00/03/1135630003.db2.gz IAZPKFKNWRQYIZ-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO Fc1ccccc1N(CCCC1CCCC1)CC[NH+]1CCOCC1 ZINC001196962604 1135635008 /nfs/dbraw/zinc/63/50/08/1135635008.db2.gz RKNLIPBGSWWWIU-UHFFFAOYSA-N 1 2 334.479 3.935 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC001197299409 1135669723 /nfs/dbraw/zinc/66/97/23/1135669723.db2.gz PISAKIFITBVYNJ-UHFFFAOYSA-N 1 2 346.887 3.644 20 0 EHADLO Brc1cscc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317149 1135671990 /nfs/dbraw/zinc/67/19/90/1135671990.db2.gz RXSDDPWTDQGWRA-GJZGRUSLSA-N 1 2 349.297 3.974 20 0 EHADLO Brc1cscc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317149 1135671992 /nfs/dbraw/zinc/67/19/92/1135671992.db2.gz RXSDDPWTDQGWRA-GJZGRUSLSA-N 1 2 349.297 3.974 20 0 EHADLO Cc1cccn2c(CNC(=S)Nc3ccc(Cl)cc3)c[nH+]c12 ZINC001197342933 1135674935 /nfs/dbraw/zinc/67/49/35/1135674935.db2.gz SGZGFAGREZBZOG-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001197328041 1135679742 /nfs/dbraw/zinc/67/97/42/1135679742.db2.gz CYLWZWUUBWEMPW-MRXNPFEDSA-N 1 2 347.871 3.975 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000808789614 1135737971 /nfs/dbraw/zinc/73/79/71/1135737971.db2.gz UAXSQJYVLDOTKO-RYGJVYDSSA-N 1 2 349.434 3.616 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197891118 1135747033 /nfs/dbraw/zinc/74/70/33/1135747033.db2.gz IKTNFBVDMANTMV-LBPRGKRZSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)O1 ZINC001197891118 1135747038 /nfs/dbraw/zinc/74/70/38/1135747038.db2.gz IKTNFBVDMANTMV-LBPRGKRZSA-N 1 2 342.252 3.904 20 0 EHADLO COc1c(C)ccc(F)c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001198263374 1135788485 /nfs/dbraw/zinc/78/84/85/1135788485.db2.gz XXSKCTXMUOTZCI-UHFFFAOYSA-N 1 2 339.370 3.640 20 0 EHADLO CC(C)Oc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC001198279819 1135794172 /nfs/dbraw/zinc/79/41/72/1135794172.db2.gz SFRXZEUTANYGOU-UHFFFAOYSA-N 1 2 337.379 3.617 20 0 EHADLO CCC[C@@H]1CCC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC001198429880 1135813887 /nfs/dbraw/zinc/81/38/87/1135813887.db2.gz ODBYVHJKEBYQKF-OAHLLOKOSA-N 1 2 344.484 3.863 20 0 EHADLO CCC[C@@H]1CCC[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC001198429880 1135813893 /nfs/dbraw/zinc/81/38/93/1135813893.db2.gz ODBYVHJKEBYQKF-OAHLLOKOSA-N 1 2 344.484 3.863 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467928 1135818735 /nfs/dbraw/zinc/81/87/35/1135818735.db2.gz QNDPHFMNNDLQPJ-JLJPHGGASA-N 1 2 339.888 3.629 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467928 1135818739 /nfs/dbraw/zinc/81/87/39/1135818739.db2.gz QNDPHFMNNDLQPJ-JLJPHGGASA-N 1 2 339.888 3.629 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001198498486 1135823818 /nfs/dbraw/zinc/82/38/18/1135823818.db2.gz HTMSTAFTHSKWTC-KGLIPLIRSA-N 1 2 329.394 3.905 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001198498486 1135823823 /nfs/dbraw/zinc/82/38/23/1135823823.db2.gz HTMSTAFTHSKWTC-KGLIPLIRSA-N 1 2 329.394 3.905 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cc(C)cc3cc[nH]c32)CC1 ZINC001198687455 1135848082 /nfs/dbraw/zinc/84/80/82/1135848082.db2.gz OXAUIFPGLJLGMJ-UHFFFAOYSA-N 1 2 348.450 3.559 20 0 EHADLO CSCC[C@@H](C)[N@H+](C)Cc1nc2ccccn2c1Br ZINC000809581522 1135853588 /nfs/dbraw/zinc/85/35/88/1135853588.db2.gz ZDKIGSDPUKKTGP-LLVKDONJSA-N 1 2 342.306 3.670 20 0 EHADLO CSCC[C@@H](C)[N@@H+](C)Cc1nc2ccccn2c1Br ZINC000809581522 1135853591 /nfs/dbraw/zinc/85/35/91/1135853591.db2.gz ZDKIGSDPUKKTGP-LLVKDONJSA-N 1 2 342.306 3.670 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)Cc2c1cnn2CC ZINC001203919097 1135866790 /nfs/dbraw/zinc/86/67/90/1135866790.db2.gz ABLRDVZYQOZVGJ-OAHLLOKOSA-N 1 2 333.863 3.692 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)Cc2c1cnn2CC ZINC001203919097 1135866793 /nfs/dbraw/zinc/86/67/93/1135866793.db2.gz ABLRDVZYQOZVGJ-OAHLLOKOSA-N 1 2 333.863 3.692 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(OCC2CCC2)ccn1 ZINC001199534378 1135910945 /nfs/dbraw/zinc/91/09/45/1135910945.db2.gz KYOJJPVVGPNTTA-UHFFFAOYSA-N 1 2 348.406 3.699 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810027326 1135911488 /nfs/dbraw/zinc/91/14/88/1135911488.db2.gz XAJWHVBJKMHNMS-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810027326 1135911491 /nfs/dbraw/zinc/91/14/91/1135911491.db2.gz XAJWHVBJKMHNMS-HKUYNNGSSA-N 1 2 330.472 3.638 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1[C@H]1CCCO1 ZINC000810029272 1135915022 /nfs/dbraw/zinc/91/50/22/1135915022.db2.gz DDLOQSVMQMHAMY-UYAOXDASSA-N 1 2 338.451 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1[C@H]1CCCO1 ZINC000810029272 1135915024 /nfs/dbraw/zinc/91/50/24/1135915024.db2.gz DDLOQSVMQMHAMY-UYAOXDASSA-N 1 2 338.451 3.668 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126268 1135924663 /nfs/dbraw/zinc/92/46/63/1135924663.db2.gz DWFMGMKAXWBKPW-AWEZNQCLSA-N 1 2 339.439 3.920 20 0 EHADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(Br)nc2)cs1 ZINC000810216770 1135938994 /nfs/dbraw/zinc/93/89/94/1135938994.db2.gz OCBVBYHCPPCDEK-VIFPVBQESA-N 1 2 326.263 3.714 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C3(F)CCCCC3)CC2)s1 ZINC000810425185 1135962381 /nfs/dbraw/zinc/96/23/81/1135962381.db2.gz GHJWSNROFMJZLA-UHFFFAOYSA-N 1 2 338.492 3.627 20 0 EHADLO Fc1ccc2[nH+]cc(CNC(=S)Nc3cccc(Cl)c3)n2c1 ZINC001201114838 1135984666 /nfs/dbraw/zinc/98/46/66/1135984666.db2.gz ZEPQNJJNOIFDOH-UHFFFAOYSA-N 1 2 334.807 3.613 20 0 EHADLO CC(C)c1cccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000810630092 1135986759 /nfs/dbraw/zinc/98/67/59/1135986759.db2.gz QKMQXUXWHXXCNU-UHFFFAOYSA-N 1 2 349.434 3.736 20 0 EHADLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000810646665 1135989210 /nfs/dbraw/zinc/98/92/10/1135989210.db2.gz DJIAFVWEQHNBKH-INIZCTEOSA-N 1 2 326.440 3.986 20 0 EHADLO CCc1ccccc1NC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001201157858 1135989930 /nfs/dbraw/zinc/98/99/30/1135989930.db2.gz PAJBERCYGXQHRY-UHFFFAOYSA-N 1 2 328.416 3.522 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(F)F ZINC001201400111 1136012378 /nfs/dbraw/zinc/01/23/78/1136012378.db2.gz OAEJYWZFKSRRDY-AWEZNQCLSA-N 1 2 332.435 3.801 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(F)F ZINC001201400111 1136012381 /nfs/dbraw/zinc/01/23/81/1136012381.db2.gz OAEJYWZFKSRRDY-AWEZNQCLSA-N 1 2 332.435 3.801 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC1(F)F ZINC001201422068 1136018634 /nfs/dbraw/zinc/01/86/34/1136018634.db2.gz GLJIAGSCMMDMKY-UONOGXRCSA-N 1 2 330.419 3.577 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)CC1(F)F ZINC001201422068 1136018630 /nfs/dbraw/zinc/01/86/30/1136018630.db2.gz GLJIAGSCMMDMKY-UONOGXRCSA-N 1 2 330.419 3.577 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001201451672 1136026519 /nfs/dbraw/zinc/02/65/19/1136026519.db2.gz VUCKWDNDRCUMGD-IORPEWSKSA-N 1 2 336.273 3.923 20 0 EHADLO Br/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001201451672 1136026522 /nfs/dbraw/zinc/02/65/22/1136026522.db2.gz VUCKWDNDRCUMGD-IORPEWSKSA-N 1 2 336.273 3.923 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3ccccc3Cl)[nH+]c12 ZINC000747657556 1136027196 /nfs/dbraw/zinc/02/71/96/1136027196.db2.gz HEOCGMCVTKKULH-UHFFFAOYSA-N 1 2 344.871 3.825 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001201524781 1136037744 /nfs/dbraw/zinc/03/77/44/1136037744.db2.gz HIZPBLKLFIVPKI-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO Nc1ccc(CCC(=O)OCc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000811161018 1136055113 /nfs/dbraw/zinc/05/51/13/1136055113.db2.gz RIUZOSOUJMITKW-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CCCCCC(=O)C1 ZINC000811380823 1136079648 /nfs/dbraw/zinc/07/96/48/1136079648.db2.gz SBBUDYQJQBKCAM-INIZCTEOSA-N 1 2 340.423 3.763 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)Nc1ccccc1Br ZINC001201966000 1136079732 /nfs/dbraw/zinc/07/97/32/1136079732.db2.gz WVKIZOCDOAFLIW-UHFFFAOYSA-N 1 2 331.173 3.741 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ccncc2c1 ZINC001132815902 1136088371 /nfs/dbraw/zinc/08/83/71/1136088371.db2.gz WKARHGSREIOWHD-FQEVSTJZSA-N 1 2 342.402 3.603 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)c1 ZINC001204042601 1136091439 /nfs/dbraw/zinc/09/14/39/1136091439.db2.gz HNZGZELGLGDCCB-MRXNPFEDSA-N 1 2 335.494 3.531 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC001204042601 1136091441 /nfs/dbraw/zinc/09/14/41/1136091441.db2.gz HNZGZELGLGDCCB-MRXNPFEDSA-N 1 2 335.494 3.531 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811471365 1136095243 /nfs/dbraw/zinc/09/52/43/1136095243.db2.gz PIDWRWHNBIUKIA-UHFFFAOYSA-N 1 2 326.227 3.860 20 0 EHADLO COc1nc(C)cc(C)c1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811479004 1136096947 /nfs/dbraw/zinc/09/69/47/1136096947.db2.gz ZCWCVEZHMDDKBC-UHFFFAOYSA-N 1 2 326.227 3.699 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cccc(O)c2)CC1 ZINC000811713372 1136123884 /nfs/dbraw/zinc/12/38/84/1136123884.db2.gz ATJMRBPZEKIKHL-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765435 1136137071 /nfs/dbraw/zinc/13/70/71/1136137071.db2.gz JZJGEQYBAUDXKU-YJBOKZPZSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811765435 1136137074 /nfs/dbraw/zinc/13/70/74/1136137074.db2.gz JZJGEQYBAUDXKU-YJBOKZPZSA-N 1 2 325.456 3.605 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(SC)o3)CC2)cc1 ZINC001133116398 1136168096 /nfs/dbraw/zinc/16/80/96/1136168096.db2.gz PFETXDVDPMQSOP-UHFFFAOYSA-N 1 2 344.480 3.522 20 0 EHADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000747782695 1136195992 /nfs/dbraw/zinc/19/59/92/1136195992.db2.gz QTVRPIWDCLNBHU-SECBINFHSA-N 1 2 345.251 3.951 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000850042947 1136202354 /nfs/dbraw/zinc/20/23/54/1136202354.db2.gz FRFRMLSFLMASFF-IBGZPJMESA-N 1 2 326.440 3.841 20 0 EHADLO Cc1cc(NCc2ccc(O[C@H]3CCOC3)cc2)ccc1[NH+](C)C ZINC000850206277 1136220346 /nfs/dbraw/zinc/22/03/46/1136220346.db2.gz LWIHKWWUTCFDSD-IBGZPJMESA-N 1 2 326.440 3.841 20 0 EHADLO Cc1cc(NCc2c(F)cncc2Br)ccc1[NH+](C)C ZINC000850206293 1136220420 /nfs/dbraw/zinc/22/04/20/1136220420.db2.gz MBLBARWXXHUEQJ-UHFFFAOYSA-N 1 2 338.224 3.970 20 0 EHADLO OC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001137985624 1136253518 /nfs/dbraw/zinc/25/35/18/1136253518.db2.gz UNJNOTCGODXTBM-VIFPVBQESA-N 1 2 325.733 3.702 20 0 EHADLO OC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001137985624 1136253522 /nfs/dbraw/zinc/25/35/22/1136253522.db2.gz UNJNOTCGODXTBM-VIFPVBQESA-N 1 2 325.733 3.702 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc2c(Cl)cccc2nc1C ZINC001133456603 1136253534 /nfs/dbraw/zinc/25/35/34/1136253534.db2.gz VMMSIGPBKNRHQG-UHFFFAOYSA-N 1 2 325.799 3.883 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835679 1136257291 /nfs/dbraw/zinc/25/72/91/1136257291.db2.gz UNEMGKITJYVTJJ-INIZCTEOSA-N 1 2 340.414 3.700 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835679 1136257293 /nfs/dbraw/zinc/25/72/93/1136257293.db2.gz UNEMGKITJYVTJJ-INIZCTEOSA-N 1 2 340.414 3.700 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000850457462 1136263203 /nfs/dbraw/zinc/26/32/03/1136263203.db2.gz MEZPQKHMBIKZRU-JKSUJKDBSA-N 1 2 348.487 3.692 20 0 EHADLO CCc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000007466263 1136281924 /nfs/dbraw/zinc/28/19/24/1136281924.db2.gz XAHRQRUNTLPFRZ-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699110 1136306666 /nfs/dbraw/zinc/30/66/66/1136306666.db2.gz FWZJODUGPREATQ-WMLDXEAASA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2[C@H]2CCc3cc(F)cc(F)c3C2)no1 ZINC001170699110 1136306668 /nfs/dbraw/zinc/30/66/68/1136306668.db2.gz FWZJODUGPREATQ-WMLDXEAASA-N 1 2 333.382 3.741 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001133682468 1136311830 /nfs/dbraw/zinc/31/18/30/1136311830.db2.gz ZLFPPBZDXFZRIS-UHFFFAOYSA-N 1 2 341.411 3.564 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1C ZINC000109601400 1136316831 /nfs/dbraw/zinc/31/68/31/1136316831.db2.gz SQBCGLKISCJZRQ-UHFFFAOYSA-N 1 2 337.423 3.735 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(SC(F)(F)F)c1 ZINC000850969808 1136323894 /nfs/dbraw/zinc/32/38/94/1136323894.db2.gz IQQYKQKXKWCSJZ-UHFFFAOYSA-N 1 2 344.358 3.822 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@H](C)CCCCNC(=O)OC(C)(C)C)[nH+]1 ZINC000813612336 1136351125 /nfs/dbraw/zinc/35/11/25/1136351125.db2.gz VFEVJWDMSMHXLZ-GFCCVEGCSA-N 1 2 347.463 3.762 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265940467 1136352986 /nfs/dbraw/zinc/35/29/86/1136352986.db2.gz FRJZKLQFMCSODO-MRXNPFEDSA-N 1 2 337.423 3.813 20 0 EHADLO CC(F)(F)C(C)(C)COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000851342103 1136368497 /nfs/dbraw/zinc/36/84/97/1136368497.db2.gz QSGSKIVMRWKVHB-UHFFFAOYSA-N 1 2 336.382 3.699 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000851401136 1136377174 /nfs/dbraw/zinc/37/71/74/1136377174.db2.gz FCSFUYRCMHUOJR-MOPGFXCFSA-N 1 2 336.435 3.645 20 0 EHADLO Cc1ccccc1C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000851789687 1136407559 /nfs/dbraw/zinc/40/75/59/1136407559.db2.gz CRUHZJBZSRRMTN-ZDUSSCGKSA-N 1 2 345.830 3.831 20 0 EHADLO CCc1oc(C[NH2+]Cc2cc(Cl)ccc2OC)cc1C(=O)OC ZINC000338941439 1136422083 /nfs/dbraw/zinc/42/20/83/1136422083.db2.gz HWGHNUQUXKWTFI-UHFFFAOYSA-N 1 2 337.803 3.580 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1=S ZINC000814225154 1136425112 /nfs/dbraw/zinc/42/51/12/1136425112.db2.gz QHTYRVPQHGMZKM-KRWDZBQOSA-N 1 2 330.501 3.970 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1=S ZINC000814225154 1136425113 /nfs/dbraw/zinc/42/51/13/1136425113.db2.gz QHTYRVPQHGMZKM-KRWDZBQOSA-N 1 2 330.501 3.970 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000852127355 1136435304 /nfs/dbraw/zinc/43/53/04/1136435304.db2.gz ROWMCPOSMZUCLF-YVEFUNNKSA-N 1 2 329.831 3.943 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000852127355 1136435306 /nfs/dbraw/zinc/43/53/06/1136435306.db2.gz ROWMCPOSMZUCLF-YVEFUNNKSA-N 1 2 329.831 3.943 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000265951269 1136448018 /nfs/dbraw/zinc/44/80/18/1136448018.db2.gz ZUPBIMHENHXLQV-FQEVSTJZSA-N 1 2 345.446 3.636 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000852731451 1136481807 /nfs/dbraw/zinc/48/18/07/1136481807.db2.gz JNNZHDJDIHZZEC-CVEARBPZSA-N 1 2 337.851 3.694 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C(F)F)c(N(C)C)[nH+]1 ZINC000814677251 1136489664 /nfs/dbraw/zinc/48/96/64/1136489664.db2.gz CITMNHJCMWGVHM-AWEZNQCLSA-N 1 2 334.370 3.584 20 0 EHADLO CSc1ccc2cc(C[N@H+](C)CCn3cccn3)c(Cl)nc2c1 ZINC000111280711 1136531150 /nfs/dbraw/zinc/53/11/50/1136531150.db2.gz ZZWSLWNYSDEKRM-UHFFFAOYSA-N 1 2 346.887 3.939 20 0 EHADLO CSc1ccc2cc(C[N@@H+](C)CCn3cccn3)c(Cl)nc2c1 ZINC000111280711 1136531153 /nfs/dbraw/zinc/53/11/53/1136531153.db2.gz ZZWSLWNYSDEKRM-UHFFFAOYSA-N 1 2 346.887 3.939 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000747985945 1136533053 /nfs/dbraw/zinc/53/30/53/1136533053.db2.gz PIXDARLWNLHLFK-GVDBMIGSSA-N 1 2 345.487 3.865 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000853494941 1136537960 /nfs/dbraw/zinc/53/79/60/1136537960.db2.gz QHNUYLCORJVBSH-GFCCVEGCSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000853494941 1136537963 /nfs/dbraw/zinc/53/79/63/1136537963.db2.gz QHNUYLCORJVBSH-GFCCVEGCSA-N 1 2 346.352 3.507 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CN2CC[C@H](C3CCCCC3)C2=O)on1 ZINC000853491370 1136537970 /nfs/dbraw/zinc/53/79/70/1136537970.db2.gz QMRNCVXQCZFPKI-IAGOWNOFSA-N 1 2 331.460 3.506 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CN2CC[C@H](C3CCCCC3)C2=O)on1 ZINC000853491370 1136537972 /nfs/dbraw/zinc/53/79/72/1136537972.db2.gz QMRNCVXQCZFPKI-IAGOWNOFSA-N 1 2 331.460 3.506 20 0 EHADLO CCc1nn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000853497978 1136538396 /nfs/dbraw/zinc/53/83/96/1136538396.db2.gz IZKFFFQLGZPDSZ-ZDUSSCGKSA-N 1 2 327.519 3.618 20 0 EHADLO CCc1nn(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000853497978 1136538399 /nfs/dbraw/zinc/53/83/99/1136538399.db2.gz IZKFFFQLGZPDSZ-ZDUSSCGKSA-N 1 2 327.519 3.618 20 0 EHADLO O=C1C[C@@H](c2ccccc2F)CN1C[NH+]1CCC(c2ccco2)CC1 ZINC000853527155 1136541537 /nfs/dbraw/zinc/54/15/37/1136541537.db2.gz MQPPITZFCICPDO-MRXNPFEDSA-N 1 2 342.414 3.572 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)[C@H]1C1CC1 ZINC000853539020 1136542749 /nfs/dbraw/zinc/54/27/49/1136542749.db2.gz ZVUJNFWPDKQCCE-DLBZAZTESA-N 1 2 328.456 3.801 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)[C@H]1C1CC1 ZINC000853539020 1136542752 /nfs/dbraw/zinc/54/27/52/1136542752.db2.gz ZVUJNFWPDKQCCE-DLBZAZTESA-N 1 2 328.456 3.801 20 0 EHADLO C[N@@H+](CC1=CCCOC1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000853561534 1136543930 /nfs/dbraw/zinc/54/39/30/1136543930.db2.gz HUBVOQSQWNKEOF-UHFFFAOYSA-N 1 2 334.416 3.853 20 0 EHADLO C[N@H+](CC1=CCCOC1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000853561534 1136543934 /nfs/dbraw/zinc/54/39/34/1136543934.db2.gz HUBVOQSQWNKEOF-UHFFFAOYSA-N 1 2 334.416 3.853 20 0 EHADLO Fc1cccc(Nc2nn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)c1 ZINC000853580926 1136546394 /nfs/dbraw/zinc/54/63/94/1136546394.db2.gz QVGZKGDPPSQCFL-QWRGUYRKSA-N 1 2 336.461 3.856 20 0 EHADLO Fc1cccc(Nc2nn(C[N@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)c1 ZINC000853580926 1136546396 /nfs/dbraw/zinc/54/63/96/1136546396.db2.gz QVGZKGDPPSQCFL-QWRGUYRKSA-N 1 2 336.461 3.856 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000853593723 1136547715 /nfs/dbraw/zinc/54/77/15/1136547715.db2.gz PIGNGHGYSLIZPW-UHFFFAOYSA-N 1 2 331.847 3.662 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853607439 1136548740 /nfs/dbraw/zinc/54/87/40/1136548740.db2.gz ZJZYSQYFPBLMGG-LJQANCHMSA-N 1 2 337.467 3.913 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853607439 1136548741 /nfs/dbraw/zinc/54/87/41/1136548741.db2.gz ZJZYSQYFPBLMGG-LJQANCHMSA-N 1 2 337.467 3.913 20 0 EHADLO c1sc(C2CCCCC2)nc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000815156157 1136558619 /nfs/dbraw/zinc/55/86/19/1136558619.db2.gz WBSKJHZWCMGYMR-UHFFFAOYSA-N 1 2 336.501 3.920 20 0 EHADLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001135024048 1136593744 /nfs/dbraw/zinc/59/37/44/1136593744.db2.gz GPJYIVPRSSPXQG-DLBZAZTESA-N 1 2 343.858 3.583 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1SC(C)(C)C ZINC000815595216 1136616304 /nfs/dbraw/zinc/61/63/04/1136616304.db2.gz KWAKRIIFWUVIIL-LBPRGKRZSA-N 1 2 331.489 3.749 20 0 EHADLO CSc1nc2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2s1 ZINC000776740375 1136619623 /nfs/dbraw/zinc/61/96/23/1136619623.db2.gz KYNCHWRGKYOLJQ-UHFFFAOYSA-N 1 2 340.433 3.918 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000854662322 1136635084 /nfs/dbraw/zinc/63/50/84/1136635084.db2.gz XJDQHRNTYPNYJK-HNNXBMFYSA-N 1 2 331.847 3.620 20 0 EHADLO Cc1ccc(NC(=O)c2cnc3c(F)ccc(F)c3c2)c(N(C)C)[nH+]1 ZINC000815859839 1136645066 /nfs/dbraw/zinc/64/50/66/1136645066.db2.gz OJEDNPJYHONFFP-UHFFFAOYSA-N 1 2 342.349 3.535 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)[C@H]2CC3CCC2CC3)[nH+]1 ZINC000815947866 1136650776 /nfs/dbraw/zinc/65/07/76/1136650776.db2.gz RQOMRBHFVUEQIF-TVPLGVNVSA-N 1 2 331.456 3.709 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)ccn12 ZINC000855545132 1136703306 /nfs/dbraw/zinc/70/33/06/1136703306.db2.gz HOPPCLFNDPWHIJ-GOSISDBHSA-N 1 2 335.407 3.655 20 0 EHADLO Cc1nc(NCc2cccc(Br)c2OC(F)F)cc[nH+]1 ZINC000776820975 1136709022 /nfs/dbraw/zinc/70/90/22/1136709022.db2.gz KHWLADFWGAWDIQ-UHFFFAOYSA-N 1 2 344.159 3.761 20 0 EHADLO Cc1cccc2c(CCC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c[nH]c21 ZINC000265984558 1136722133 /nfs/dbraw/zinc/72/21/33/1136722133.db2.gz ZXSBGQDXGLWHIH-MRXNPFEDSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000816521192 1136726740 /nfs/dbraw/zinc/72/67/40/1136726740.db2.gz JPEIICVNNAZXST-VQTJNVASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000816521192 1136726742 /nfs/dbraw/zinc/72/67/42/1136726742.db2.gz JPEIICVNNAZXST-VQTJNVASSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(F)ccc1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000816788172 1136753493 /nfs/dbraw/zinc/75/34/93/1136753493.db2.gz WEICCIKHDKIERS-UHFFFAOYSA-N 1 2 337.398 3.802 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](C)c2nc3ccccc3s2)cc(C)[nH+]1 ZINC000817158560 1136783207 /nfs/dbraw/zinc/78/32/07/1136783207.db2.gz CYVHARCLQSRMAN-CYBMUJFWSA-N 1 2 340.452 3.869 20 0 EHADLO C/C=C(/C=C/C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)CC ZINC001135865950 1136791176 /nfs/dbraw/zinc/79/11/76/1136791176.db2.gz ISIGMNYEOKWWJX-YJSHLEHHSA-N 1 2 342.483 3.560 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](CC(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000817310768 1136796150 /nfs/dbraw/zinc/79/61/50/1136796150.db2.gz MATPVXGFAZNXES-GFCCVEGCSA-N 1 2 344.381 3.652 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000817365042 1136803725 /nfs/dbraw/zinc/80/37/25/1136803725.db2.gz MNDZKLHKKDYQSG-VXGBXAGGSA-N 1 2 348.434 3.657 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000817365042 1136803728 /nfs/dbraw/zinc/80/37/28/1136803728.db2.gz MNDZKLHKKDYQSG-VXGBXAGGSA-N 1 2 348.434 3.657 20 0 EHADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000856805115 1136813262 /nfs/dbraw/zinc/81/32/62/1136813262.db2.gz KOIAEYCFDVNUEI-NSHDSACASA-N 1 2 336.785 3.737 20 0 EHADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000856805115 1136813266 /nfs/dbraw/zinc/81/32/66/1136813266.db2.gz KOIAEYCFDVNUEI-NSHDSACASA-N 1 2 336.785 3.737 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815416 1136814883 /nfs/dbraw/zinc/81/48/83/1136814883.db2.gz GJLFFXUZUQDDSC-IFXJQAMLSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815416 1136814887 /nfs/dbraw/zinc/81/48/87/1136814887.db2.gz GJLFFXUZUQDDSC-IFXJQAMLSA-N 1 2 349.475 3.677 20 0 EHADLO Cc1cc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc(C)[nH+]1 ZINC000817559961 1136816499 /nfs/dbraw/zinc/81/64/99/1136816499.db2.gz GZIWMYXYXPVBDT-UHFFFAOYSA-N 1 2 329.469 3.972 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001135940604 1136819145 /nfs/dbraw/zinc/81/91/45/1136819145.db2.gz QPRFWQHJQWUYKO-QGZVFWFLSA-N 1 2 346.519 3.629 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N(C)C1CCC(C)CC1)C1CC1 ZINC000339002629 1136858246 /nfs/dbraw/zinc/85/82/46/1136858246.db2.gz VWQOPTKRZXHIIE-UHFFFAOYSA-N 1 2 344.499 3.697 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N(C)C1CCC(C)CC1)C1CC1 ZINC000339002629 1136858250 /nfs/dbraw/zinc/85/82/50/1136858250.db2.gz VWQOPTKRZXHIIE-UHFFFAOYSA-N 1 2 344.499 3.697 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(C(OC)OC)ccc2F)cs1 ZINC000818188195 1136864533 /nfs/dbraw/zinc/86/45/33/1136864533.db2.gz WGRKBRGJURRIJT-NSHDSACASA-N 1 2 338.448 3.987 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170895771 1136869377 /nfs/dbraw/zinc/86/93/77/1136869377.db2.gz VJEDWAOEGHBVJW-LPHOPBHVSA-N 1 2 343.854 3.571 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000818344107 1136873029 /nfs/dbraw/zinc/87/30/29/1136873029.db2.gz JDOKNCBIBHJATB-OAHLLOKOSA-N 1 2 334.851 3.572 20 0 EHADLO CC(C)[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000776938051 1136876727 /nfs/dbraw/zinc/87/67/27/1136876727.db2.gz ZHRMSDCKVKUBAM-CEXWTWQISA-N 1 2 347.499 3.733 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000857847464 1136911545 /nfs/dbraw/zinc/91/15/45/1136911545.db2.gz OLEVJHRGYCCDDH-QGZVFWFLSA-N 1 2 338.386 3.903 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857847464 1136911548 /nfs/dbraw/zinc/91/15/48/1136911548.db2.gz OLEVJHRGYCCDDH-QGZVFWFLSA-N 1 2 338.386 3.903 20 0 EHADLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000857902720 1136919168 /nfs/dbraw/zinc/91/91/68/1136919168.db2.gz XJZYUDJMIMEPEA-SSDOTTSWSA-N 1 2 349.264 3.590 20 0 EHADLO CSc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(Cl)cc1Cl ZINC000857982347 1136927047 /nfs/dbraw/zinc/92/70/47/1136927047.db2.gz IBHZZZUAMHLEDP-NSHDSACASA-N 1 2 342.251 3.787 20 0 EHADLO CCC(CC)(C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857987371 1136927489 /nfs/dbraw/zinc/92/74/89/1136927489.db2.gz XMYSDPFLTBBDSG-HNNXBMFYSA-N 1 2 331.847 3.856 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010462 1136929318 /nfs/dbraw/zinc/92/93/18/1136929318.db2.gz JEMSAANOSMEBFO-GOSISDBHSA-N 1 2 339.439 3.868 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010462 1136929320 /nfs/dbraw/zinc/92/93/20/1136929320.db2.gz JEMSAANOSMEBFO-GOSISDBHSA-N 1 2 339.439 3.868 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001136212504 1136932702 /nfs/dbraw/zinc/93/27/02/1136932702.db2.gz CQHQVAYMFBDOSD-ROUUACIJSA-N 1 2 325.456 3.609 20 0 EHADLO C[C@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000819315984 1136934687 /nfs/dbraw/zinc/93/46/87/1136934687.db2.gz CDSXVJKDMOMQHV-JXFKEZNVSA-N 1 2 343.515 3.664 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cnc1Cl ZINC000858049855 1136935658 /nfs/dbraw/zinc/93/56/58/1136935658.db2.gz AVPVYGXBIXLVTG-OAHLLOKOSA-N 1 2 347.821 3.800 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cnc1Cl ZINC000858049855 1136935661 /nfs/dbraw/zinc/93/56/61/1136935661.db2.gz AVPVYGXBIXLVTG-OAHLLOKOSA-N 1 2 347.821 3.800 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000819903297 1136965704 /nfs/dbraw/zinc/96/57/04/1136965704.db2.gz KENMBQAMDDJNNA-IBGZPJMESA-N 1 2 333.435 3.827 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000819903297 1136965705 /nfs/dbraw/zinc/96/57/05/1136965705.db2.gz KENMBQAMDDJNNA-IBGZPJMESA-N 1 2 333.435 3.827 20 0 EHADLO Cc1ccc(NC(=O)CCc2[nH+]ccn2C)c(OCc2ccccc2)c1 ZINC001136320039 1136983901 /nfs/dbraw/zinc/98/39/01/1136983901.db2.gz DVHSCHSQEAZAET-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@@H+]1CCOC[C@H]1c1cccnc1)CC2 ZINC001170945303 1136985731 /nfs/dbraw/zinc/98/57/31/1136985731.db2.gz VMBBGQUFKRAVQL-LPHOPBHVSA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1C[C@@H]([N@H+]1CCOC[C@H]1c1cccnc1)CC2 ZINC001170945303 1136985733 /nfs/dbraw/zinc/98/57/33/1136985733.db2.gz VMBBGQUFKRAVQL-LPHOPBHVSA-N 1 2 328.843 3.666 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000858805672 1136992777 /nfs/dbraw/zinc/99/27/77/1136992777.db2.gz XBIKPCBTFYGJSQ-XYJFISCASA-N 1 2 347.466 3.821 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000805752958 1137001274 /nfs/dbraw/zinc/00/12/74/1137001274.db2.gz JQHTZECPBJXAHV-UHFFFAOYSA-N 1 2 347.434 3.687 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000805752958 1137001276 /nfs/dbraw/zinc/00/12/76/1137001276.db2.gz JQHTZECPBJXAHV-UHFFFAOYSA-N 1 2 347.434 3.687 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820858963 1137006915 /nfs/dbraw/zinc/00/69/15/1137006915.db2.gz CPSGPECDKHVKIF-DFQSSKMNSA-N 1 2 339.483 3.870 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000859181677 1137006976 /nfs/dbraw/zinc/00/69/76/1137006976.db2.gz SMCFFGISTIMAKO-RYWCDNDXSA-N 1 2 333.482 3.543 20 0 EHADLO Fc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1 ZINC000859204966 1137007758 /nfs/dbraw/zinc/00/77/58/1137007758.db2.gz QHOYUUKJKOPIJV-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CCc1[nH]nc(Cl)c1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001136399800 1137013132 /nfs/dbraw/zinc/01/31/32/1137013132.db2.gz NUYCYPBBJINXLR-UHFFFAOYSA-N 1 2 343.818 3.885 20 0 EHADLO Cn1nc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1Cl ZINC000859414674 1137014406 /nfs/dbraw/zinc/01/44/06/1137014406.db2.gz IHURKOUZQJIDGH-LBPRGKRZSA-N 1 2 325.790 3.731 20 0 EHADLO Cn1nc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1Cl ZINC000859414674 1137014408 /nfs/dbraw/zinc/01/44/08/1137014408.db2.gz IHURKOUZQJIDGH-LBPRGKRZSA-N 1 2 325.790 3.731 20 0 EHADLO CS(C)(=O)=Nc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000821215598 1137020781 /nfs/dbraw/zinc/02/07/81/1137020781.db2.gz WOSPIUNYIXIYQQ-UHFFFAOYSA-N 1 2 340.452 3.844 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc21 ZINC000859682403 1137025850 /nfs/dbraw/zinc/02/58/50/1137025850.db2.gz YQYVEQQTLIVKNJ-UHFFFAOYSA-N 1 2 349.425 3.532 20 0 EHADLO CCc1cccc2[nH]c(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc21 ZINC000859682403 1137025852 /nfs/dbraw/zinc/02/58/52/1137025852.db2.gz YQYVEQQTLIVKNJ-UHFFFAOYSA-N 1 2 349.425 3.532 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC001136475432 1137033928 /nfs/dbraw/zinc/03/39/28/1137033928.db2.gz DYXDSMKZXPTUES-KRWDZBQOSA-N 1 2 326.444 3.574 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC001136475432 1137033929 /nfs/dbraw/zinc/03/39/29/1137033929.db2.gz DYXDSMKZXPTUES-KRWDZBQOSA-N 1 2 326.444 3.574 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1cc(=O)oc3cc(C)c(C)cc13)C2 ZINC000859937801 1137037770 /nfs/dbraw/zinc/03/77/70/1137037770.db2.gz HTOLCNRRABUXDL-UHFFFAOYSA-N 1 2 335.403 3.934 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1cc(=O)oc3cc(C)c(C)cc13)C2 ZINC000859937801 1137037772 /nfs/dbraw/zinc/03/77/72/1137037772.db2.gz HTOLCNRRABUXDL-UHFFFAOYSA-N 1 2 335.403 3.934 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CC(CC(F)F)C1 ZINC000822520697 1137062089 /nfs/dbraw/zinc/06/20/89/1137062089.db2.gz MICDLRKFXFOBMN-UHFFFAOYSA-N 1 2 325.790 3.921 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2coc(C(F)F)c2)[nH+]1 ZINC000860544658 1137065591 /nfs/dbraw/zinc/06/55/91/1137065591.db2.gz SMNILEBLKDRREX-UHFFFAOYSA-N 1 2 339.338 3.727 20 0 EHADLO CCCCSc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])COC)n1 ZINC000822980905 1137080140 /nfs/dbraw/zinc/08/01/40/1137080140.db2.gz QNVWOMVZEDCVSN-LBPRGKRZSA-N 1 2 341.864 3.928 20 0 EHADLO C[C@H](CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000860879371 1137082875 /nfs/dbraw/zinc/08/28/75/1137082875.db2.gz PABDIPFIJBLULJ-OAHLLOKOSA-N 1 2 328.412 3.628 20 0 EHADLO C[C@@H](CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000860879367 1137082931 /nfs/dbraw/zinc/08/29/31/1137082931.db2.gz PABDIPFIJBLULJ-HNNXBMFYSA-N 1 2 328.412 3.628 20 0 EHADLO COc1cccc(C[C@@H](C)CC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000823057695 1137084383 /nfs/dbraw/zinc/08/43/83/1137084383.db2.gz UNAFFHKYXPNAJR-CQSZACIVSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1cc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)nc2ccccc12 ZINC000823075724 1137086230 /nfs/dbraw/zinc/08/62/30/1137086230.db2.gz VCMJJJUXOMHRNL-LJQANCHMSA-N 1 2 342.402 3.980 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@H](C)[C@H]3CCCO3)c2)[nH+]c1C ZINC000823353412 1137095942 /nfs/dbraw/zinc/09/59/42/1137095942.db2.gz NGGKUQJRDGKKDF-SJKOYZFVSA-N 1 2 327.428 3.837 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(C[C@H]2CCCCC2(C)C)n1 ZINC000823394272 1137097891 /nfs/dbraw/zinc/09/78/91/1137097891.db2.gz XUBVCQUXCUIHGF-OLZOCXBDSA-N 1 2 337.464 3.560 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3CCC=CCC3)CC2)c1 ZINC001136722749 1137100047 /nfs/dbraw/zinc/10/00/47/1137100047.db2.gz KRWHJJNZUFYRBW-QGZVFWFLSA-N 1 2 342.483 3.647 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000861348943 1137102457 /nfs/dbraw/zinc/10/24/57/1137102457.db2.gz GYZLQJILABDUII-HNNXBMFYSA-N 1 2 338.455 3.523 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729048 1137102601 /nfs/dbraw/zinc/10/26/01/1137102601.db2.gz QCNHRDBBKBAKDD-GDSCYZHGSA-N 1 2 326.484 3.670 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823495669 1137102766 /nfs/dbraw/zinc/10/27/66/1137102766.db2.gz VGHMPUSKCHCPLV-HNNXBMFYSA-N 1 2 346.496 3.680 20 0 EHADLO CSc1ccc(/C=C\C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000861401881 1137104645 /nfs/dbraw/zinc/10/46/45/1137104645.db2.gz GFMFGKPWLUYTBD-CTGSTSKSSA-N 1 2 346.477 3.558 20 0 EHADLO C[N@H+](Cc1c(F)c(F)c(F)c(F)c1F)C[C@@](C)(O)c1ccccc1 ZINC000823584553 1137104878 /nfs/dbraw/zinc/10/48/78/1137104878.db2.gz HGQLRIJEOAVWFD-QGZVFWFLSA-N 1 2 345.311 3.722 20 0 EHADLO C[N@@H+](Cc1c(F)c(F)c(F)c(F)c1F)C[C@@](C)(O)c1ccccc1 ZINC000823584553 1137104880 /nfs/dbraw/zinc/10/48/80/1137104880.db2.gz HGQLRIJEOAVWFD-QGZVFWFLSA-N 1 2 345.311 3.722 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000339032028 1137124425 /nfs/dbraw/zinc/12/44/25/1137124425.db2.gz ZUTPYQYINQEEGX-UHFFFAOYSA-N 1 2 347.409 3.862 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000339032028 1137124426 /nfs/dbraw/zinc/12/44/26/1137124426.db2.gz ZUTPYQYINQEEGX-UHFFFAOYSA-N 1 2 347.409 3.862 20 0 EHADLO O=C(C[NH2+]Cc1cnc(C2CC2)o1)Nc1cc(Cl)ccc1Cl ZINC000862274767 1137136882 /nfs/dbraw/zinc/13/68/82/1137136882.db2.gz FLZGSRJEXXCERJ-UHFFFAOYSA-N 1 2 340.210 3.587 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccnc(F)c3C)n2)ccc1F ZINC000862340115 1137138987 /nfs/dbraw/zinc/13/89/87/1137138987.db2.gz ANENIZFXCNRQQX-GFCCVEGCSA-N 1 2 344.365 3.877 20 0 EHADLO Fc1cnc(Cl)c(C[NH2+]C2CCCN(Cc3ccccc3)C2)c1 ZINC000824538783 1137143819 /nfs/dbraw/zinc/14/38/19/1137143819.db2.gz SNAHGXUNVTXEGX-QGZVFWFLSA-N 1 2 333.838 3.628 20 0 EHADLO Fc1cnc(Cl)c(CNC2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000824538783 1137143820 /nfs/dbraw/zinc/14/38/20/1137143820.db2.gz SNAHGXUNVTXEGX-QGZVFWFLSA-N 1 2 333.838 3.628 20 0 EHADLO Fc1cnc(Cl)c(CNC2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000824538783 1137143822 /nfs/dbraw/zinc/14/38/22/1137143822.db2.gz SNAHGXUNVTXEGX-QGZVFWFLSA-N 1 2 333.838 3.628 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000824620887 1137146854 /nfs/dbraw/zinc/14/68/54/1137146854.db2.gz DCUKXSDYQLCMGN-QGZVFWFLSA-N 1 2 344.459 3.745 20 0 EHADLO FC(F)(F)c1cc(C[NH2+]Cc2occc2Br)ccn1 ZINC000824660496 1137147266 /nfs/dbraw/zinc/14/72/66/1137147266.db2.gz BZCZTNJBNNRBGU-UHFFFAOYSA-N 1 2 335.123 3.746 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136932952 1137149337 /nfs/dbraw/zinc/14/93/37/1137149337.db2.gz YYQRTLVXXPPMHL-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136932952 1137149339 /nfs/dbraw/zinc/14/93/39/1137149339.db2.gz YYQRTLVXXPPMHL-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[N@H+](Cn1ncn(C2CC2)c1=S)CC12CC3CC(CC(C3)C1)C2 ZINC000014216901 1137154189 /nfs/dbraw/zinc/15/41/89/1137154189.db2.gz QIVKDUVRGBEQDZ-UHFFFAOYSA-N 1 2 332.517 3.855 20 0 EHADLO C[N@@H+](Cn1ncn(C2CC2)c1=S)CC12CC3CC(CC(C3)C1)C2 ZINC000014216901 1137154192 /nfs/dbraw/zinc/15/41/92/1137154192.db2.gz QIVKDUVRGBEQDZ-UHFFFAOYSA-N 1 2 332.517 3.855 20 0 EHADLO COc1ncc(C[N@@H+]2CCn3c(Cl)ccc3[C@@H]2C)cc1Cl ZINC000794447144 1137156012 /nfs/dbraw/zinc/15/60/12/1137156012.db2.gz WMQMTDVXIYQPRA-JTQLQIEISA-N 1 2 326.227 3.775 20 0 EHADLO COc1ncc(C[N@H+]2CCn3c(Cl)ccc3[C@@H]2C)cc1Cl ZINC000794447144 1137156014 /nfs/dbraw/zinc/15/60/14/1137156014.db2.gz WMQMTDVXIYQPRA-JTQLQIEISA-N 1 2 326.227 3.775 20 0 EHADLO c1ccc2sc(C[N@@H+]3CCN4CCc5ccccc5[C@H]4C3)nc2c1 ZINC001136956411 1137156402 /nfs/dbraw/zinc/15/64/02/1137156402.db2.gz QZAFOOXJDWVDGM-GOSISDBHSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)nc2c1 ZINC001136956411 1137156404 /nfs/dbraw/zinc/15/64/04/1137156404.db2.gz QZAFOOXJDWVDGM-GOSISDBHSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(CN3CC[N@@H+]4CCc5ccccc5[C@H]4C3)nc2c1 ZINC001136956411 1137156406 /nfs/dbraw/zinc/15/64/06/1137156406.db2.gz QZAFOOXJDWVDGM-GOSISDBHSA-N 1 2 335.476 3.711 20 0 EHADLO c1ccc2sc(CN3CC[N@H+]4CCc5ccccc5[C@H]4C3)nc2c1 ZINC001136956411 1137156408 /nfs/dbraw/zinc/15/64/08/1137156408.db2.gz QZAFOOXJDWVDGM-GOSISDBHSA-N 1 2 335.476 3.711 20 0 EHADLO CCOCCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc21 ZINC000863001699 1137166616 /nfs/dbraw/zinc/16/66/16/1137166616.db2.gz FGJIKDKKJLGGSV-GOSISDBHSA-N 1 2 349.434 3.501 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133519 1137166988 /nfs/dbraw/zinc/16/69/88/1137166988.db2.gz IOZQEYXBYZOHSW-CQSZACIVSA-N 1 2 334.769 3.756 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133519 1137166990 /nfs/dbraw/zinc/16/69/90/1137166990.db2.gz IOZQEYXBYZOHSW-CQSZACIVSA-N 1 2 334.769 3.756 20 0 EHADLO COc1ccc2c(c1)CN(C[N@@H+]1CCC[C@H]1c1ccsc1)C2=O ZINC000863257086 1137178416 /nfs/dbraw/zinc/17/84/16/1137178416.db2.gz LOQBLHZGLBIKDK-KRWDZBQOSA-N 1 2 328.437 3.507 20 0 EHADLO COc1ccc2c(c1)CN(C[N@H+]1CCC[C@H]1c1ccsc1)C2=O ZINC000863257086 1137178418 /nfs/dbraw/zinc/17/84/18/1137178418.db2.gz LOQBLHZGLBIKDK-KRWDZBQOSA-N 1 2 328.437 3.507 20 0 EHADLO Cn1cnc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)ccc21 ZINC001137043527 1137179255 /nfs/dbraw/zinc/17/92/55/1137179255.db2.gz XIWPJWRNEWZRNW-GASCZTMLSA-N 1 2 349.438 3.578 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171091215 1137179549 /nfs/dbraw/zinc/17/95/49/1137179549.db2.gz NYLNMEXYDGSCJZ-MOPGFXCFSA-N 1 2 343.854 3.571 20 0 EHADLO CCCCn1c2ccccc2n(C[N@H+](C)CC2(C)COC2)c1=S ZINC000863298812 1137180125 /nfs/dbraw/zinc/18/01/25/1137180125.db2.gz OEYLRIDNPCVEHT-UHFFFAOYSA-N 1 2 333.501 3.898 20 0 EHADLO CCCCn1c2ccccc2n(C[N@@H+](C)CC2(C)COC2)c1=S ZINC000863298812 1137180127 /nfs/dbraw/zinc/18/01/27/1137180127.db2.gz OEYLRIDNPCVEHT-UHFFFAOYSA-N 1 2 333.501 3.898 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCCC3(CC3)CC2)c1=S ZINC000863329401 1137181341 /nfs/dbraw/zinc/18/13/41/1137181341.db2.gz BKSGTNBBTLPTKH-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCCC3(CC3)CC2)c1=S ZINC000863329401 1137181342 /nfs/dbraw/zinc/18/13/42/1137181342.db2.gz BKSGTNBBTLPTKH-UHFFFAOYSA-N 1 2 346.475 3.981 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1Cl ZINC001143365803 1137182905 /nfs/dbraw/zinc/18/29/05/1137182905.db2.gz WLCGNUNNKMDNQL-LLVKDONJSA-N 1 2 339.798 3.559 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c1Cl ZINC001143365803 1137182906 /nfs/dbraw/zinc/18/29/06/1137182906.db2.gz WLCGNUNNKMDNQL-LLVKDONJSA-N 1 2 339.798 3.559 20 0 EHADLO CCc1ncnc2c1CC[N@H+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001143623352 1137183752 /nfs/dbraw/zinc/18/37/52/1137183752.db2.gz OYLUNTIYKSTLQH-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO CCc1ncnc2c1CC[N@@H+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001143623352 1137183753 /nfs/dbraw/zinc/18/37/53/1137183753.db2.gz OYLUNTIYKSTLQH-UHFFFAOYSA-N 1 2 337.801 3.571 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143627352 1137184050 /nfs/dbraw/zinc/18/40/50/1137184050.db2.gz KCHSPRWCNPPORU-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO Cn1nc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1Cl ZINC000863472884 1137188091 /nfs/dbraw/zinc/18/80/91/1137188091.db2.gz SWAZGGWQFZUDFS-UHFFFAOYSA-N 1 2 342.830 3.852 20 0 EHADLO CC(C)O[C@@H](C[N@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000794533408 1137191333 /nfs/dbraw/zinc/19/13/33/1137191333.db2.gz UDOALKWVJRTJDJ-SFHVURJKSA-N 1 2 348.874 3.696 20 0 EHADLO CC(C)O[C@@H](C[N@@H+](CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000794533408 1137191334 /nfs/dbraw/zinc/19/13/34/1137191334.db2.gz UDOALKWVJRTJDJ-SFHVURJKSA-N 1 2 348.874 3.696 20 0 EHADLO Clc1cc(Cl)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC001143798020 1137200504 /nfs/dbraw/zinc/20/05/04/1137200504.db2.gz ARAXCHDWEGVEDP-LBPRGKRZSA-N 1 2 349.689 3.553 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860509 1137204847 /nfs/dbraw/zinc/20/48/47/1137204847.db2.gz PMWWMEVMJAGFHF-VHSXEESVSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860509 1137204849 /nfs/dbraw/zinc/20/48/49/1137204849.db2.gz PMWWMEVMJAGFHF-VHSXEESVSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860507 1137205008 /nfs/dbraw/zinc/20/50/08/1137205008.db2.gz PMWWMEVMJAGFHF-NXEZZACHSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860507 1137205009 /nfs/dbraw/zinc/20/50/09/1137205009.db2.gz PMWWMEVMJAGFHF-NXEZZACHSA-N 1 2 334.218 3.764 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(C2SCCS2)c1)n1cc[nH+]c1 ZINC000844307726 1137210845 /nfs/dbraw/zinc/21/08/45/1137210845.db2.gz SSVUTHXOWBEASL-GFCCVEGCSA-N 1 2 333.482 3.952 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2cccc(O)c2)ccc1-n1cc[nH+]c1 ZINC001143939842 1137216770 /nfs/dbraw/zinc/21/67/70/1137216770.db2.gz OZPLVVOFVIMCEP-UHFFFAOYSA-N 1 2 335.407 3.803 20 0 EHADLO O=C1COC2(C1)CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC001143984782 1137220839 /nfs/dbraw/zinc/22/08/39/1137220839.db2.gz IQWCIBFNVKOWLZ-UHFFFAOYSA-N 1 2 347.764 3.683 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3OC)C2)c1F ZINC001143976683 1137222682 /nfs/dbraw/zinc/22/26/82/1137222682.db2.gz JTBDGXMZKQNUAC-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3OC)C2)c1F ZINC001143976683 1137222683 /nfs/dbraw/zinc/22/26/83/1137222683.db2.gz JTBDGXMZKQNUAC-ZDUSSCGKSA-N 1 2 349.377 3.635 20 0 EHADLO C[N@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)[C@@H]1CCC(C)(C)C1 ZINC000794685556 1137226316 /nfs/dbraw/zinc/22/63/16/1137226316.db2.gz KWUDYHLGVCDXQR-GFCCVEGCSA-N 1 2 343.393 3.608 20 0 EHADLO C[N@@H+](Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)[C@@H]1CCC(C)(C)C1 ZINC000794685556 1137226318 /nfs/dbraw/zinc/22/63/18/1137226318.db2.gz KWUDYHLGVCDXQR-GFCCVEGCSA-N 1 2 343.393 3.608 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001143996602 1137226748 /nfs/dbraw/zinc/22/67/48/1137226748.db2.gz CZONBFKCYAAFIO-KGLIPLIRSA-N 1 2 339.304 3.866 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001143996602 1137226749 /nfs/dbraw/zinc/22/67/49/1137226749.db2.gz CZONBFKCYAAFIO-KGLIPLIRSA-N 1 2 339.304 3.866 20 0 EHADLO Cc1ccc(Br)cc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844475184 1137227626 /nfs/dbraw/zinc/22/76/26/1137227626.db2.gz XPEMYLHHPCVNAS-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000794688583 1137232425 /nfs/dbraw/zinc/23/24/25/1137232425.db2.gz QDTNTZQYYKAILS-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000794688583 1137232427 /nfs/dbraw/zinc/23/24/27/1137232427.db2.gz QDTNTZQYYKAILS-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO Cc1ccccc1-c1ccccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001144097861 1137238386 /nfs/dbraw/zinc/23/83/86/1137238386.db2.gz IGIFDMFREDRLGJ-UHFFFAOYSA-N 1 2 344.414 3.960 20 0 EHADLO Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[NH+](C)C ZINC000120195311 1137241534 /nfs/dbraw/zinc/24/15/34/1137241534.db2.gz AHDHIIWACVMAHQ-UHFFFAOYSA-N 1 2 333.476 3.872 20 0 EHADLO O=C1CC2(CCCC2)N1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000844701785 1137249058 /nfs/dbraw/zinc/24/90/58/1137249058.db2.gz LHTLYCCNIFXRGH-UHFFFAOYSA-N 1 2 346.421 3.947 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnn(CC2CCCC2)c1 ZINC000864903325 1137251582 /nfs/dbraw/zinc/25/15/82/1137251582.db2.gz SQJJBGHYAXILJU-UHFFFAOYSA-N 1 2 335.411 3.511 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2cccc(O)c21 ZINC000864985680 1137256373 /nfs/dbraw/zinc/25/63/73/1137256373.db2.gz NXUSCQNGMDWNQB-QGZVFWFLSA-N 1 2 337.423 3.587 20 0 EHADLO FC(F)c1cccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000844865159 1137258731 /nfs/dbraw/zinc/25/87/31/1137258731.db2.gz GPOXUIGEAXGPJC-UHFFFAOYSA-N 1 2 330.338 3.798 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865065091 1137261002 /nfs/dbraw/zinc/26/10/02/1137261002.db2.gz DMFHSPZMJSKAGI-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865068870 1137261334 /nfs/dbraw/zinc/26/13/34/1137261334.db2.gz ZVQRNZOVTPOWIA-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1Br ZINC000794836128 1137276734 /nfs/dbraw/zinc/27/67/34/1137276734.db2.gz NGXSBYXEQGNIJK-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO Cc1nc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)sc1C ZINC001144378258 1137279285 /nfs/dbraw/zinc/27/92/85/1137279285.db2.gz BPNQVDHNWHDTLI-UHFFFAOYSA-N 1 2 328.481 3.941 20 0 EHADLO Cc1cc(C)c(C(=O)[C@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC000845277408 1137283399 /nfs/dbraw/zinc/28/33/99/1137283399.db2.gz HBLYIQJNXJITEO-CVEARBPZSA-N 1 2 328.412 3.574 20 0 EHADLO C[C@H](CC(=O)OCCc1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000845284869 1137283487 /nfs/dbraw/zinc/28/34/87/1137283487.db2.gz OYCZTXGLQAYCDH-LLVKDONJSA-N 1 2 327.211 3.927 20 0 EHADLO CCCn1cc(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)nn1 ZINC000865455518 1137285558 /nfs/dbraw/zinc/28/55/58/1137285558.db2.gz BLFANLSQLFBNQB-UHFFFAOYSA-N 1 2 340.402 3.909 20 0 EHADLO COc1cccc(C2([NH2+]Cc3cccnc3Br)CC2)c1 ZINC000865491004 1137288342 /nfs/dbraw/zinc/28/83/42/1137288342.db2.gz JJFOKVHCZRTNOX-UHFFFAOYSA-N 1 2 333.229 3.632 20 0 EHADLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1csc2ccccc21 ZINC000845450636 1137292647 /nfs/dbraw/zinc/29/26/47/1137292647.db2.gz ZNCUCAFIRMOBOG-CYBMUJFWSA-N 1 2 339.464 3.854 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc3c(F)cccc3c2)[nH]1 ZINC000865542874 1137293338 /nfs/dbraw/zinc/29/33/38/1137293338.db2.gz YJYBDBMEPHDSJE-NWDGAFQWSA-N 1 2 327.407 3.856 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCc2sc(Cl)cc21 ZINC000845498101 1137295026 /nfs/dbraw/zinc/29/50/26/1137295026.db2.gz VFAZCYILQIXAEV-GFCCVEGCSA-N 1 2 336.844 3.708 20 0 EHADLO C[C@@H](CC(=O)OCCCc1cnc2ccsc2c1)n1cc[nH+]c1 ZINC000845517225 1137296537 /nfs/dbraw/zinc/29/65/37/1137296537.db2.gz RQLZBJAJJQZNJZ-ZDUSSCGKSA-N 1 2 329.425 3.620 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H](CNc1cc2cc[nH]c2c[nH+]1)CC(F)F ZINC000865618127 1137299221 /nfs/dbraw/zinc/29/92/21/1137299221.db2.gz SQNMNOBLGSLMFD-LLVKDONJSA-N 1 2 340.374 3.523 20 0 EHADLO OCC[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000865644998 1137301350 /nfs/dbraw/zinc/30/13/50/1137301350.db2.gz MNSMIAINSPNZPO-INIZCTEOSA-N 1 2 340.254 3.738 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144542351 1137307120 /nfs/dbraw/zinc/30/71/20/1137307120.db2.gz UMMOOKYXEGCNDT-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144542351 1137307122 /nfs/dbraw/zinc/30/71/22/1137307122.db2.gz UMMOOKYXEGCNDT-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144554778 1137308889 /nfs/dbraw/zinc/30/88/89/1137308889.db2.gz HIKMZPLNJOKDIR-MRXNPFEDSA-N 1 2 349.377 3.722 20 0 EHADLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144554778 1137308890 /nfs/dbraw/zinc/30/88/90/1137308890.db2.gz HIKMZPLNJOKDIR-MRXNPFEDSA-N 1 2 349.377 3.722 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(COc3ccccc3)CC2)c(F)c1 ZINC001144555193 1137309091 /nfs/dbraw/zinc/30/90/91/1137309091.db2.gz YZNXPFNRBXVJDR-UHFFFAOYSA-N 1 2 333.378 3.961 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(F)c1 ZINC001144559530 1137309786 /nfs/dbraw/zinc/30/97/86/1137309786.db2.gz NINKTYIIQPOAFW-UHFFFAOYSA-N 1 2 345.389 3.734 20 0 EHADLO CCOC(=O)C1(CC)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144560903 1137310016 /nfs/dbraw/zinc/31/00/16/1137310016.db2.gz KIYAYMBLWDOXFM-UHFFFAOYSA-N 1 2 344.377 3.656 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000865805153 1137313091 /nfs/dbraw/zinc/31/30/91/1137313091.db2.gz SFGQEXRZXWRWQW-FQEVSTJZSA-N 1 2 327.472 3.685 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2c(Cl)ccc3cccnc32)n1 ZINC000865808719 1137313369 /nfs/dbraw/zinc/31/33/69/1137313369.db2.gz SACJJPQHAALAIN-UHFFFAOYSA-N 1 2 336.773 3.849 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccccc2OC(F)(F)F)n1 ZINC000865809307 1137313395 /nfs/dbraw/zinc/31/33/95/1137313395.db2.gz NLHSSSWMZHJHBW-UHFFFAOYSA-N 1 2 335.276 3.546 20 0 EHADLO CCC1(O)CC[NH+](Cc2cc(C)c(Br)cc2F)CC1 ZINC001144591287 1137313880 /nfs/dbraw/zinc/31/38/80/1137313880.db2.gz VMKOXPMEXFBTMM-UHFFFAOYSA-N 1 2 330.241 3.634 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000866010936 1137324411 /nfs/dbraw/zinc/32/44/11/1137324411.db2.gz KINBYQDAPKIBEU-UHFFFAOYSA-N 1 2 342.790 3.505 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)n1 ZINC001144658455 1137327253 /nfs/dbraw/zinc/32/72/53/1137327253.db2.gz WYPHIGKTFRHRJQ-NSHDSACASA-N 1 2 337.370 3.556 20 0 EHADLO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)n1 ZINC001144658455 1137327255 /nfs/dbraw/zinc/32/72/55/1137327255.db2.gz WYPHIGKTFRHRJQ-NSHDSACASA-N 1 2 337.370 3.556 20 0 EHADLO Fc1cccc2oc(NCc3cc[nH+]c(N4CCSCC4)c3)nc21 ZINC000866086590 1137328661 /nfs/dbraw/zinc/32/86/61/1137328661.db2.gz FLNHVNRIRCZMDO-UHFFFAOYSA-N 1 2 344.415 3.527 20 0 EHADLO COCc1cc[nH+]c(NC2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000846116692 1137333735 /nfs/dbraw/zinc/33/37/35/1137333735.db2.gz GAULIQUBRDRJFU-UHFFFAOYSA-N 1 2 349.475 3.723 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000866243830 1137338774 /nfs/dbraw/zinc/33/87/74/1137338774.db2.gz UNDQVXOVZDMKEU-ODYMNIRHSA-N 1 2 331.387 3.826 20 0 EHADLO CCOc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)ccc1OC ZINC000866266554 1137340924 /nfs/dbraw/zinc/34/09/24/1137340924.db2.gz LBQWQXATISZOEK-DNVCBOLYSA-N 1 2 331.387 3.655 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2cn[nH]n2)cc1 ZINC000846212590 1137343637 /nfs/dbraw/zinc/34/36/37/1137343637.db2.gz FTABXARDGKPTTJ-SMDDNHRTSA-N 1 2 343.233 3.597 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)c2c[nH]nn2)cc1 ZINC000846212590 1137343639 /nfs/dbraw/zinc/34/36/39/1137343639.db2.gz FTABXARDGKPTTJ-SMDDNHRTSA-N 1 2 343.233 3.597 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2cc(Br)ncc2F)c1 ZINC000846212829 1137343753 /nfs/dbraw/zinc/34/37/53/1137343753.db2.gz OIGYTRZRQFAHQN-VIFPVBQESA-N 1 2 340.196 3.698 20 0 EHADLO C[C@H](CCc1cccnc1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000866332908 1137346347 /nfs/dbraw/zinc/34/63/47/1137346347.db2.gz CMYIFIOIHXDGIM-ZACQAIPSSA-N 1 2 340.471 3.523 20 0 EHADLO C[C@H](CCc1cccnc1)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000866334150 1137346378 /nfs/dbraw/zinc/34/63/78/1137346378.db2.gz TZGSXJBHKAVWTN-SJORKVTESA-N 1 2 325.456 3.740 20 0 EHADLO C[C@@H](CCc1cccnc1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000866335050 1137346572 /nfs/dbraw/zinc/34/65/72/1137346572.db2.gz ZRKYJSPXJVFMDL-IRXDYDNUSA-N 1 2 325.456 3.740 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866352556 1137348688 /nfs/dbraw/zinc/34/86/88/1137348688.db2.gz AJKIHFJVAKWITF-LJQANCHMSA-N 1 2 349.482 3.892 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2cccc(SC(F)(F)F)c2)n1 ZINC000866395296 1137351593 /nfs/dbraw/zinc/35/15/93/1137351593.db2.gz PQGPPGPJFLPYHP-JTQLQIEISA-N 1 2 330.379 3.761 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000866535365 1137362626 /nfs/dbraw/zinc/36/26/26/1137362626.db2.gz CEIAHIQXOAOTEI-ZNMIVQPWSA-N 1 2 336.361 3.628 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c(C)s1 ZINC000866568718 1137365499 /nfs/dbraw/zinc/36/54/99/1137365499.db2.gz BSAIGFMGEZMOJC-MRVPVSSYSA-N 1 2 326.263 3.768 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCCc1c(F)cccc1F)[C@@H]2C ZINC000846867485 1137370123 /nfs/dbraw/zinc/37/01/23/1137370123.db2.gz AYYSMJCNDATVTK-CYBMUJFWSA-N 1 2 334.414 3.689 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCCc1c(F)cccc1F)[C@@H]2C ZINC000846867485 1137370126 /nfs/dbraw/zinc/37/01/26/1137370126.db2.gz AYYSMJCNDATVTK-CYBMUJFWSA-N 1 2 334.414 3.689 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC3(Br)CC3)nc2c1 ZINC000846902863 1137375127 /nfs/dbraw/zinc/37/51/27/1137375127.db2.gz WJQRIMFVEDHEQP-AWEZNQCLSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC3(Br)CC3)nc2c1 ZINC000846902863 1137375126 /nfs/dbraw/zinc/37/51/26/1137375126.db2.gz WJQRIMFVEDHEQP-AWEZNQCLSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC3(Br)CC3)[nH]c2c1 ZINC000846902863 1137375128 /nfs/dbraw/zinc/37/51/28/1137375128.db2.gz WJQRIMFVEDHEQP-AWEZNQCLSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CC3(Br)CC3)[nH]c2c1 ZINC000846902863 1137375129 /nfs/dbraw/zinc/37/51/29/1137375129.db2.gz WJQRIMFVEDHEQP-AWEZNQCLSA-N 1 2 334.261 3.936 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000867936160 1137390345 /nfs/dbraw/zinc/39/03/45/1137390345.db2.gz ULHZUVNYUOXHSM-IAGOWNOFSA-N 1 2 329.488 3.608 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(Cl)c1SCC(F)F ZINC001146543219 1137391694 /nfs/dbraw/zinc/39/16/94/1137391694.db2.gz AWOJPKQYRUIJPY-UHFFFAOYSA-N 1 2 345.802 3.992 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001147210924 1137402121 /nfs/dbraw/zinc/40/21/21/1137402121.db2.gz LFSQYWMFZSWMFL-LMMKCTJWSA-N 1 2 349.409 3.753 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001147210924 1137402123 /nfs/dbraw/zinc/40/21/23/1137402123.db2.gz LFSQYWMFZSWMFL-LMMKCTJWSA-N 1 2 349.409 3.753 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cnccc1C(F)(F)F ZINC001147270605 1137403906 /nfs/dbraw/zinc/40/39/06/1137403906.db2.gz UOJYOBAYABPLFV-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO CCC1(CC)CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001147335770 1137404758 /nfs/dbraw/zinc/40/47/58/1137404758.db2.gz KBMJEICIDRHBHB-LJQANCHMSA-N 1 2 344.499 3.698 20 0 EHADLO CCC1(CC)CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001147335770 1137404759 /nfs/dbraw/zinc/40/47/59/1137404759.db2.gz KBMJEICIDRHBHB-LJQANCHMSA-N 1 2 344.499 3.698 20 0 EHADLO COc1cccc2c1C[C@@H](Nc1cc(C)c(C(F)(F)F)c[nH+]1)CO2 ZINC001171311253 1137409148 /nfs/dbraw/zinc/40/91/48/1137409148.db2.gz GXOWYUAFSFWCEG-LLVKDONJSA-N 1 2 338.329 3.833 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(-c2ncc[nH]2)cc1 ZINC001148719943 1137432036 /nfs/dbraw/zinc/43/20/36/1137432036.db2.gz SRMDPHKFBRXWOG-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001148951167 1137438330 /nfs/dbraw/zinc/43/83/30/1137438330.db2.gz CRSVAGXJTJLSFF-UHFFFAOYSA-N 1 2 340.732 3.917 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3cc(C)oc3C)o2)cc1 ZINC000348106889 1137441214 /nfs/dbraw/zinc/44/12/14/1137441214.db2.gz HHTLXWBPIDHTSL-GFCCVEGCSA-N 1 2 327.384 3.806 20 0 EHADLO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339092138 1137457614 /nfs/dbraw/zinc/45/76/14/1137457614.db2.gz VDBDOZQDEZGFBY-LBPRGKRZSA-N 1 2 339.361 3.591 20 0 EHADLO CCOc1ccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000145099059 1137473941 /nfs/dbraw/zinc/47/39/41/1137473941.db2.gz DOMXWSQQJIAFEX-INIZCTEOSA-N 1 2 346.500 3.683 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870128424 1137477989 /nfs/dbraw/zinc/47/79/89/1137477989.db2.gz PYJJFFQFFJYHNW-MRXNPFEDSA-N 1 2 341.455 3.625 20 0 EHADLO COc1cc[nH+]cc1NCCc1ccc(OCc2ccccn2)cc1 ZINC001171426359 1137480014 /nfs/dbraw/zinc/48/00/14/1137480014.db2.gz SADXQTQVLJLUFY-UHFFFAOYSA-N 1 2 335.407 3.719 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cc(Cl)cc(Cl)c1F ZINC000870303948 1137486821 /nfs/dbraw/zinc/48/68/21/1137486821.db2.gz CMXMGVAEIWJHGK-UHFFFAOYSA-N 1 2 331.174 3.656 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000773314796 1137489442 /nfs/dbraw/zinc/48/94/42/1137489442.db2.gz VJPUTQZPCMHQMU-UHFFFAOYSA-N 1 2 344.361 3.710 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)OCc1ccccc1 ZINC001171454979 1137490189 /nfs/dbraw/zinc/49/01/89/1137490189.db2.gz YEULDDUAMAHLLZ-SUMWQHHRSA-N 1 2 345.389 3.544 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)C1CCCCC1 ZINC001171542349 1137494099 /nfs/dbraw/zinc/49/40/99/1137494099.db2.gz ZVYVBJWKSOQWGF-KRWDZBQOSA-N 1 2 344.499 3.643 20 0 EHADLO Cc1cccc2c1CC[C@@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001171580457 1137499468 /nfs/dbraw/zinc/49/94/68/1137499468.db2.gz UMHOEFJYTWVNLW-MJGOQNOKSA-N 1 2 334.454 3.658 20 0 EHADLO Cc1cccc2c1CC[C@@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001171580456 1137499580 /nfs/dbraw/zinc/49/95/80/1137499580.db2.gz UMHOEFJYTWVNLW-IEBWSBKVSA-N 1 2 334.454 3.658 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)CCc2ccc(C)cc2)Cc2ccccc2C1 ZINC001171655746 1137502220 /nfs/dbraw/zinc/50/22/20/1137502220.db2.gz ONDFATCVNLUIKB-KRWDZBQOSA-N 1 2 337.463 3.616 20 0 EHADLO COC(=O)C[N@H+](Cc1cc(C)ccc1OC(F)F)C1CCCCC1 ZINC001171853810 1137516146 /nfs/dbraw/zinc/51/61/46/1137516146.db2.gz JDMUMSKSMXNBTN-UHFFFAOYSA-N 1 2 341.398 3.904 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CCCCC1 ZINC001171853810 1137516148 /nfs/dbraw/zinc/51/61/48/1137516148.db2.gz JDMUMSKSMXNBTN-UHFFFAOYSA-N 1 2 341.398 3.904 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001171958493 1137519026 /nfs/dbraw/zinc/51/90/26/1137519026.db2.gz AGIZYGARJKWEAE-LBPRGKRZSA-N 1 2 329.362 3.712 20 0 EHADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959363 1137519196 /nfs/dbraw/zinc/51/91/96/1137519196.db2.gz WYWPKYCAHODFSN-WFASDCNBSA-N 1 2 331.378 3.814 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000871081665 1137522071 /nfs/dbraw/zinc/52/20/71/1137522071.db2.gz XHGANRHVMDSMKY-UZLBHIALSA-N 1 2 325.456 3.521 20 0 EHADLO Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000871081665 1137522072 /nfs/dbraw/zinc/52/20/72/1137522072.db2.gz XHGANRHVMDSMKY-UZLBHIALSA-N 1 2 325.456 3.521 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060480 1137522535 /nfs/dbraw/zinc/52/25/35/1137522535.db2.gz SVAZJCMYKDUTOF-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060480 1137522537 /nfs/dbraw/zinc/52/25/37/1137522537.db2.gz SVAZJCMYKDUTOF-INIZCTEOSA-N 1 2 345.512 3.799 20 0 EHADLO CCCOc1c(F)cc(F)c(Nc2cc[nH+]c(NC(C)=O)c2)c1F ZINC001212648357 1137543973 /nfs/dbraw/zinc/54/39/73/1137543973.db2.gz YLTVLLUPVOSGAZ-UHFFFAOYSA-N 1 2 339.317 3.990 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000871937284 1137563519 /nfs/dbraw/zinc/56/35/19/1137563519.db2.gz UDQJZVVPJNFSLK-NEPJUHHUSA-N 1 2 331.370 3.942 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000872114740 1137572048 /nfs/dbraw/zinc/57/20/48/1137572048.db2.gz BKZAGKAKIUYECZ-VIFPVBQESA-N 1 2 335.860 3.877 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872281206 1137577601 /nfs/dbraw/zinc/57/76/01/1137577601.db2.gz QNNYDFHOXUJGKH-HIFRSBDPSA-N 1 2 339.505 3.807 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872281206 1137577602 /nfs/dbraw/zinc/57/76/02/1137577602.db2.gz QNNYDFHOXUJGKH-HIFRSBDPSA-N 1 2 339.505 3.807 20 0 EHADLO Clc1cccc(-c2cc(N3CCC(c4c[nH]c[nH+]4)CC3)ncn2)c1 ZINC000872475622 1137580617 /nfs/dbraw/zinc/58/06/17/1137580617.db2.gz OWPIWOAZPSGKQM-UHFFFAOYSA-N 1 2 339.830 3.904 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872751854 1137583785 /nfs/dbraw/zinc/58/37/85/1137583785.db2.gz HRXZEEAFLGPMBC-QMTHXVAHSA-N 1 2 328.309 3.920 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2ccccn2)n(C)c1=S)C(C)(C)C ZINC000872817961 1137585005 /nfs/dbraw/zinc/58/50/05/1137585005.db2.gz DQAWRWLTEDITFX-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2ccccn2)n(C)c1=S)C(C)(C)C ZINC000872817961 1137585006 /nfs/dbraw/zinc/58/50/06/1137585006.db2.gz DQAWRWLTEDITFX-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccc(C(F)(F)F)s2)c[nH+]1 ZINC000873037071 1137588652 /nfs/dbraw/zinc/58/86/52/1137588652.db2.gz LLWVOOMPKCEIKX-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO Clc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1Br ZINC000873080819 1137589697 /nfs/dbraw/zinc/58/96/97/1137589697.db2.gz UELILFPZQVFWQY-GFCCVEGCSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1Br ZINC000873080819 1137589698 /nfs/dbraw/zinc/58/96/98/1137589698.db2.gz UELILFPZQVFWQY-GFCCVEGCSA-N 1 2 340.652 3.993 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000873136221 1137591037 /nfs/dbraw/zinc/59/10/37/1137591037.db2.gz XCAXNVZXSWOEHB-UHFFFAOYSA-N 1 2 329.419 3.509 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1OCC ZINC000873165720 1137592025 /nfs/dbraw/zinc/59/20/25/1137592025.db2.gz NMMCDVFCCHBWLG-UHFFFAOYSA-N 1 2 326.849 3.884 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)o2)CCN1Cc1ccccc1 ZINC001137069548 1137595275 /nfs/dbraw/zinc/59/52/75/1137595275.db2.gz CEJFUWKLGKAWEI-SFHVURJKSA-N 1 2 339.483 3.586 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)o2)CCN1Cc1ccccc1 ZINC001137069548 1137595276 /nfs/dbraw/zinc/59/52/76/1137595276.db2.gz CEJFUWKLGKAWEI-SFHVURJKSA-N 1 2 339.483 3.586 20 0 EHADLO O=C(O[C@@H]1CCOC2(CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000873576233 1137603127 /nfs/dbraw/zinc/60/31/27/1137603127.db2.gz LRNHVPHNAQKVSZ-GOSISDBHSA-N 1 2 340.423 3.580 20 0 EHADLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1c(F)cccc1F ZINC000873969826 1137608580 /nfs/dbraw/zinc/60/85/80/1137608580.db2.gz RCFDFTZDTAEQMR-JOYOIKCWSA-N 1 2 347.287 3.532 20 0 EHADLO CC[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1OC ZINC000873989362 1137608816 /nfs/dbraw/zinc/60/88/16/1137608816.db2.gz BVNBNGJZWQTDLE-IAGOWNOFSA-N 1 2 329.444 3.746 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000874062278 1137609941 /nfs/dbraw/zinc/60/99/41/1137609941.db2.gz ZZSFQAYUZDWPGC-MRXNPFEDSA-N 1 2 344.415 3.677 20 0 EHADLO CC(C)OC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1 ZINC000874254650 1137612147 /nfs/dbraw/zinc/61/21/47/1137612147.db2.gz BWPLSYYNYADMCP-UHFFFAOYSA-N 1 2 333.819 3.812 20 0 EHADLO CCCC1(CCC)CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000874626658 1137619397 /nfs/dbraw/zinc/61/93/97/1137619397.db2.gz GEWSJGWDFMWOCE-UHFFFAOYSA-N 1 2 326.444 3.842 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C)c(N4CCCC4)c3)[nH+]c12 ZINC000874945140 1137626899 /nfs/dbraw/zinc/62/68/99/1137626899.db2.gz MNVVDNIADHWXKX-UHFFFAOYSA-N 1 2 348.450 3.733 20 0 EHADLO COc1cnc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000876560931 1137655638 /nfs/dbraw/zinc/65/56/38/1137655638.db2.gz GVDKHWOJHCEQOA-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1cnc(F)c(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000876560931 1137655639 /nfs/dbraw/zinc/65/56/39/1137655639.db2.gz GVDKHWOJHCEQOA-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC000876626873 1137657528 /nfs/dbraw/zinc/65/75/28/1137657528.db2.gz KZTQVWGMBSMAMN-GFCCVEGCSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC000876626873 1137657529 /nfs/dbraw/zinc/65/75/29/1137657529.db2.gz KZTQVWGMBSMAMN-GFCCVEGCSA-N 1 2 337.254 3.866 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000876757070 1137660701 /nfs/dbraw/zinc/66/07/01/1137660701.db2.gz AZMGLABGCAPVEF-SGTLLEGYSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000876757070 1137660702 /nfs/dbraw/zinc/66/07/02/1137660702.db2.gz AZMGLABGCAPVEF-SGTLLEGYSA-N 1 2 342.370 3.635 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1nc(Cl)cs1 ZINC000876895499 1137664806 /nfs/dbraw/zinc/66/48/06/1137664806.db2.gz CIZPLVQCZOAYHZ-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1cc2nc(Cl)ccc2s1 ZINC000877518404 1137679467 /nfs/dbraw/zinc/67/94/67/1137679467.db2.gz ILHVHSRIGNZCCT-SECBINFHSA-N 1 2 332.803 3.806 20 0 EHADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1cc2nc(Cl)ccc2s1 ZINC000877518404 1137679468 /nfs/dbraw/zinc/67/94/68/1137679468.db2.gz ILHVHSRIGNZCCT-SECBINFHSA-N 1 2 332.803 3.806 20 0 EHADLO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877544402 1137680618 /nfs/dbraw/zinc/68/06/18/1137680618.db2.gz PHBIQXFIXBYQEQ-QGZVFWFLSA-N 1 2 336.888 3.614 20 0 EHADLO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877544402 1137680619 /nfs/dbraw/zinc/68/06/19/1137680619.db2.gz PHBIQXFIXBYQEQ-QGZVFWFLSA-N 1 2 336.888 3.614 20 0 EHADLO COC(=O)[C@@H](C)c1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000877588356 1137682260 /nfs/dbraw/zinc/68/22/60/1137682260.db2.gz OVTMVDDBQQOKCT-ZDUSSCGKSA-N 1 2 328.412 3.596 20 0 EHADLO C[N@H+](Cc1nc(Cl)cs1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877620596 1137683273 /nfs/dbraw/zinc/68/32/73/1137683273.db2.gz KHUHKDWTBKAWEV-UHFFFAOYSA-N 1 2 333.885 3.532 20 0 EHADLO C[N@@H+](Cc1nc(Cl)cs1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877620596 1137683274 /nfs/dbraw/zinc/68/32/74/1137683274.db2.gz KHUHKDWTBKAWEV-UHFFFAOYSA-N 1 2 333.885 3.532 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](O)CC(C)(C)C3)cs2)cc1 ZINC000877753731 1137687850 /nfs/dbraw/zinc/68/78/50/1137687850.db2.gz RFUHPQYEDKIOFK-INIZCTEOSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](O)CC(C)(C)C3)cs2)cc1 ZINC000877753731 1137687851 /nfs/dbraw/zinc/68/78/51/1137687851.db2.gz RFUHPQYEDKIOFK-INIZCTEOSA-N 1 2 346.496 3.623 20 0 EHADLO CSCc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)s1 ZINC000877810511 1137690746 /nfs/dbraw/zinc/69/07/46/1137690746.db2.gz IBAVRQUBRMCYEG-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO CSCc1cnc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)s1 ZINC000877810511 1137690747 /nfs/dbraw/zinc/69/07/47/1137690747.db2.gz IBAVRQUBRMCYEG-AWEZNQCLSA-N 1 2 338.473 3.799 20 0 EHADLO Fc1c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cccc1OC1CC1 ZINC000877823390 1137692281 /nfs/dbraw/zinc/69/22/81/1137692281.db2.gz YIGGCIBOYRBSHY-AWEZNQCLSA-N 1 2 333.325 3.520 20 0 EHADLO Fc1c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cccc1OC1CC1 ZINC000877823390 1137692282 /nfs/dbraw/zinc/69/22/82/1137692282.db2.gz YIGGCIBOYRBSHY-AWEZNQCLSA-N 1 2 333.325 3.520 20 0 EHADLO COc1ccc([C@@H](C)[N@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877896487 1137694522 /nfs/dbraw/zinc/69/45/22/1137694522.db2.gz CASMDCFCFVHEEK-CYBMUJFWSA-N 1 2 342.468 3.745 20 0 EHADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877896487 1137694523 /nfs/dbraw/zinc/69/45/23/1137694523.db2.gz CASMDCFCFVHEEK-CYBMUJFWSA-N 1 2 342.468 3.745 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877931636 1137696133 /nfs/dbraw/zinc/69/61/33/1137696133.db2.gz SZAUQEHUPGCUEK-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000877931636 1137696134 /nfs/dbraw/zinc/69/61/34/1137696134.db2.gz SZAUQEHUPGCUEK-UHFFFAOYSA-N 1 2 342.468 3.574 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000877949496 1137696744 /nfs/dbraw/zinc/69/67/44/1137696744.db2.gz HXWYXZDWRWJPBR-APWZRJJASA-N 1 2 349.434 3.688 20 0 EHADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000877949496 1137696745 /nfs/dbraw/zinc/69/67/45/1137696745.db2.gz HXWYXZDWRWJPBR-APWZRJJASA-N 1 2 349.434 3.688 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)C(C)(C)C ZINC000877966910 1137697488 /nfs/dbraw/zinc/69/74/88/1137697488.db2.gz ZFELAWAECQKMBQ-CQSZACIVSA-N 1 2 329.531 3.661 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)C(C)(C)C ZINC000877966910 1137697489 /nfs/dbraw/zinc/69/74/89/1137697489.db2.gz ZFELAWAECQKMBQ-CQSZACIVSA-N 1 2 329.531 3.661 20 0 EHADLO c1ccc(C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@@H]2CCCO2)cc1 ZINC000877990758 1137698716 /nfs/dbraw/zinc/69/87/16/1137698716.db2.gz VOMBLLIMQXBPSD-KRWDZBQOSA-N 1 2 326.440 3.735 20 0 EHADLO c1ccc(C[N@H+](Cc2nc3c(o2)CCCC3)C[C@@H]2CCCO2)cc1 ZINC000877990758 1137698717 /nfs/dbraw/zinc/69/87/17/1137698717.db2.gz VOMBLLIMQXBPSD-KRWDZBQOSA-N 1 2 326.440 3.735 20 0 EHADLO COC(=O)[C@@H](C)C[N@H+](Cc1scnc1Cl)Cc1ccccc1 ZINC000878036025 1137700288 /nfs/dbraw/zinc/70/02/88/1137700288.db2.gz IKKWBXZUXWVTNP-LBPRGKRZSA-N 1 2 338.860 3.608 20 0 EHADLO COC(=O)[C@@H](C)C[N@@H+](Cc1scnc1Cl)Cc1ccccc1 ZINC000878036025 1137700289 /nfs/dbraw/zinc/70/02/89/1137700289.db2.gz IKKWBXZUXWVTNP-LBPRGKRZSA-N 1 2 338.860 3.608 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CCOC4)CCO2)cc1F ZINC000878041867 1137700387 /nfs/dbraw/zinc/70/03/87/1137700387.db2.gz PXVPIVMJCOSYPO-FQEVSTJZSA-N 1 2 345.389 3.611 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CCO2)cc1F ZINC000878041867 1137700388 /nfs/dbraw/zinc/70/03/88/1137700388.db2.gz PXVPIVMJCOSYPO-FQEVSTJZSA-N 1 2 345.389 3.611 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(O)c3)o2)s1 ZINC000878084627 1137701486 /nfs/dbraw/zinc/70/14/86/1137701486.db2.gz WBPZJAJQIXKCGV-NSHDSACASA-N 1 2 344.440 3.709 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(O)c3)o2)s1 ZINC000878084627 1137701487 /nfs/dbraw/zinc/70/14/87/1137701487.db2.gz WBPZJAJQIXKCGV-NSHDSACASA-N 1 2 344.440 3.709 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000878115088 1137702889 /nfs/dbraw/zinc/70/28/89/1137702889.db2.gz WIAMSEXWENQVDY-CRAIPNDOSA-N 1 2 341.480 3.507 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000878115088 1137702890 /nfs/dbraw/zinc/70/28/90/1137702890.db2.gz WIAMSEXWENQVDY-CRAIPNDOSA-N 1 2 341.480 3.507 20 0 EHADLO Cc1conc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000878185435 1137706351 /nfs/dbraw/zinc/70/63/51/1137706351.db2.gz KVZVCFUWJRZBDA-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1conc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000878185435 1137706352 /nfs/dbraw/zinc/70/63/52/1137706352.db2.gz KVZVCFUWJRZBDA-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]C3(c4cccc(Cl)c4)CC3)cs2)n1 ZINC000878366450 1137712923 /nfs/dbraw/zinc/71/29/23/1137712923.db2.gz OOXNKXYWKWNOTJ-UHFFFAOYSA-N 1 2 344.871 3.976 20 0 EHADLO Brc1cccnc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000878616637 1137722515 /nfs/dbraw/zinc/72/25/15/1137722515.db2.gz BPRXKWQSKWDZKZ-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cccnc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000878616637 1137722516 /nfs/dbraw/zinc/72/25/16/1137722516.db2.gz BPRXKWQSKWDZKZ-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(-n2cccn2)c(F)c1 ZINC000878654711 1137723905 /nfs/dbraw/zinc/72/39/05/1137723905.db2.gz VYJAMBVPYLSTFJ-CYBMUJFWSA-N 1 2 340.402 3.729 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977791 1137734194 /nfs/dbraw/zinc/73/41/94/1137734194.db2.gz LWMRZSZDEDTDKI-HUUCEWRRSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000878977791 1137734195 /nfs/dbraw/zinc/73/41/95/1137734195.db2.gz LWMRZSZDEDTDKI-HUUCEWRRSA-N 1 2 338.238 3.654 20 0 EHADLO C[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157055 1137739693 /nfs/dbraw/zinc/73/96/93/1137739693.db2.gz BTXPYIJLEVZALN-LBPRGKRZSA-N 1 2 349.862 3.707 20 0 EHADLO CC1(F)CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000879380974 1137746103 /nfs/dbraw/zinc/74/61/03/1137746103.db2.gz GBEGHNARXWRQFN-UHFFFAOYSA-N 1 2 332.391 3.764 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](C[C@@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629360 1137752869 /nfs/dbraw/zinc/75/28/69/1137752869.db2.gz MQSXYOFVLOVXNG-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](C[C@@]2(C)CC2(Cl)Cl)CCO1 ZINC000879629360 1137752870 /nfs/dbraw/zinc/75/28/70/1137752870.db2.gz MQSXYOFVLOVXNG-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO O=C(Nc1cccc(C2CC2)n1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879661796 1137754223 /nfs/dbraw/zinc/75/42/23/1137754223.db2.gz IWUWXAWJMMQRMH-SFHVURJKSA-N 1 2 347.422 3.719 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NC3(C)CC(F)(F)C3)ccc21 ZINC000879720573 1137756613 /nfs/dbraw/zinc/75/66/13/1137756613.db2.gz GVHFHGDHJZDKIE-UHFFFAOYSA-N 1 2 334.370 3.610 20 0 EHADLO CCO[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000879975051 1137763684 /nfs/dbraw/zinc/76/36/84/1137763684.db2.gz CNJDPXCLAGNODT-LNLFQRSKSA-N 1 2 345.487 3.516 20 0 EHADLO CC(C)(C)c1nc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)co1 ZINC000879976625 1137763745 /nfs/dbraw/zinc/76/37/45/1137763745.db2.gz QWPJCPSNUSHAEX-HDJSIYSDSA-N 1 2 342.443 3.520 20 0 EHADLO CSc1cccc(NC(=O)C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000879998797 1137764062 /nfs/dbraw/zinc/76/40/62/1137764062.db2.gz AKBMTLXGPGDQMV-AWEZNQCLSA-N 1 2 332.391 3.621 20 0 EHADLO CSc1cccc(NC(=O)C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000879998797 1137764063 /nfs/dbraw/zinc/76/40/63/1137764063.db2.gz AKBMTLXGPGDQMV-AWEZNQCLSA-N 1 2 332.391 3.621 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000880001768 1137764318 /nfs/dbraw/zinc/76/43/18/1137764318.db2.gz ATJOQXAWOGSREB-AWEZNQCLSA-N 1 2 329.297 3.650 20 0 EHADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000880001768 1137764319 /nfs/dbraw/zinc/76/43/19/1137764319.db2.gz ATJOQXAWOGSREB-AWEZNQCLSA-N 1 2 329.297 3.650 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099619 1137768089 /nfs/dbraw/zinc/76/80/89/1137768089.db2.gz SDGHFJRVVRYPFA-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000880176108 1137769973 /nfs/dbraw/zinc/76/99/73/1137769973.db2.gz MMKNVHKEUSIMBN-HNNXBMFYSA-N 1 2 349.887 3.819 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000880176108 1137769974 /nfs/dbraw/zinc/76/99/74/1137769974.db2.gz MMKNVHKEUSIMBN-HNNXBMFYSA-N 1 2 349.887 3.819 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC000880231990 1137771708 /nfs/dbraw/zinc/77/17/08/1137771708.db2.gz CSHWUNREPIGEHG-UONOGXRCSA-N 1 2 326.843 3.965 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC000880231990 1137771709 /nfs/dbraw/zinc/77/17/09/1137771709.db2.gz CSHWUNREPIGEHG-UONOGXRCSA-N 1 2 326.843 3.965 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000880306183 1137774207 /nfs/dbraw/zinc/77/42/07/1137774207.db2.gz NAIPBMUKULCIPT-SNVBAGLBSA-N 1 2 348.312 3.624 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000880306183 1137774208 /nfs/dbraw/zinc/77/42/08/1137774208.db2.gz NAIPBMUKULCIPT-SNVBAGLBSA-N 1 2 348.312 3.624 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880318343 1137774935 /nfs/dbraw/zinc/77/49/35/1137774935.db2.gz XYQDBIFKPLKOGM-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880318343 1137774936 /nfs/dbraw/zinc/77/49/36/1137774936.db2.gz XYQDBIFKPLKOGM-CYBMUJFWSA-N 1 2 349.887 3.841 20 0 EHADLO Cc1ccc(Br)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880367355 1137776477 /nfs/dbraw/zinc/77/64/77/1137776477.db2.gz CLYLYEDZYOKVEM-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCc2ccccc21 ZINC000626132825 1137783688 /nfs/dbraw/zinc/78/36/88/1137783688.db2.gz AFIGUJHIHKJNQD-FZMZJTMJSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCc2ccccc21 ZINC000626132825 1137783689 /nfs/dbraw/zinc/78/36/89/1137783689.db2.gz AFIGUJHIHKJNQD-FZMZJTMJSA-N 1 2 337.370 3.532 20 0 EHADLO CCC(F)(F)c1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000880775094 1137789079 /nfs/dbraw/zinc/78/90/79/1137789079.db2.gz FOLDEGICBCOYNJ-UHFFFAOYSA-N 1 2 336.386 3.939 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000881065468 1137799335 /nfs/dbraw/zinc/79/93/35/1137799335.db2.gz VCGCGRKBELFNPF-UHFFFAOYSA-N 1 2 325.412 3.840 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162784 1137799508 /nfs/dbraw/zinc/79/95/08/1137799508.db2.gz ICURTSHCKMAIGI-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162784 1137799509 /nfs/dbraw/zinc/79/95/09/1137799509.db2.gz ICURTSHCKMAIGI-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000881556872 1137809750 /nfs/dbraw/zinc/80/97/50/1137809750.db2.gz VDTAMRHHNZEXHP-SFHVURJKSA-N 1 2 341.455 3.673 20 0 EHADLO Cc1c(Cl)nnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1C ZINC000881818660 1137816013 /nfs/dbraw/zinc/81/60/13/1137816013.db2.gz PKXQZGBCIDSOGZ-UHFFFAOYSA-N 1 2 331.851 3.744 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000882034670 1137819464 /nfs/dbraw/zinc/81/94/64/1137819464.db2.gz VXLFHYCQAPJQEL-FQEVSTJZSA-N 1 2 325.456 3.746 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)n1 ZINC000882905890 1137837423 /nfs/dbraw/zinc/83/74/23/1137837423.db2.gz XXAFVSRSFTXPRT-UHFFFAOYSA-N 1 2 340.471 3.952 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000883387608 1137859044 /nfs/dbraw/zinc/85/90/44/1137859044.db2.gz AGUPWDHDAYNXDJ-UZLBHIALSA-N 1 2 335.455 3.508 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704234 1137868668 /nfs/dbraw/zinc/86/86/68/1137868668.db2.gz ARDBSNIXGCDARL-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CN2C(=O)SC(C)(C)C2=O)C1 ZINC000132704234 1137868669 /nfs/dbraw/zinc/86/86/69/1137868669.db2.gz ARDBSNIXGCDARL-RISCZKNCSA-N 1 2 336.432 3.640 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000101545162 1137870839 /nfs/dbraw/zinc/87/08/39/1137870839.db2.gz OUEXSMCCYGOCHV-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000101545162 1137870840 /nfs/dbraw/zinc/87/08/40/1137870840.db2.gz OUEXSMCCYGOCHV-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CCCC[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000103180358 1137875338 /nfs/dbraw/zinc/87/53/38/1137875338.db2.gz RHSDRAKECYQXFN-CRAIPNDOSA-N 1 2 344.459 3.511 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000883983302 1137887118 /nfs/dbraw/zinc/88/71/18/1137887118.db2.gz YQTHZATZVMMWRJ-SWLSCSKDSA-N 1 2 349.356 3.660 20 0 EHADLO C[C@]1(C(F)(F)F)CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC000883989072 1137887755 /nfs/dbraw/zinc/88/77/55/1137887755.db2.gz INBVOULDSCBBBV-KRWDZBQOSA-N 1 2 349.356 3.662 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000007974799 1137893723 /nfs/dbraw/zinc/89/37/23/1137893723.db2.gz JQVNYJKWTOGCMF-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000007974799 1137893724 /nfs/dbraw/zinc/89/37/24/1137893724.db2.gz JQVNYJKWTOGCMF-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000111406999 1137904567 /nfs/dbraw/zinc/90/45/67/1137904567.db2.gz ZLLYPSWUIBTBKP-JTQLQIEISA-N 1 2 338.860 3.981 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111727708 1137905295 /nfs/dbraw/zinc/90/52/95/1137905295.db2.gz FNBZNASUQFGFCH-YESZJQIVSA-N 1 2 347.503 3.806 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111727708 1137905296 /nfs/dbraw/zinc/90/52/96/1137905296.db2.gz FNBZNASUQFGFCH-YESZJQIVSA-N 1 2 347.503 3.806 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780712 1137920223 /nfs/dbraw/zinc/92/02/23/1137920223.db2.gz FZKHJLMXTVJCTE-WDEREUQCSA-N 1 2 328.338 3.666 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780712 1137920224 /nfs/dbraw/zinc/92/02/24/1137920224.db2.gz FZKHJLMXTVJCTE-WDEREUQCSA-N 1 2 328.338 3.666 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000348303471 1137923611 /nfs/dbraw/zinc/92/36/11/1137923611.db2.gz FMFBVJADGKCLOW-LBPRGKRZSA-N 1 2 349.525 3.941 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000348303471 1137923612 /nfs/dbraw/zinc/92/36/12/1137923612.db2.gz FMFBVJADGKCLOW-LBPRGKRZSA-N 1 2 349.525 3.941 20 0 EHADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)c1 ZINC000115985312 1137924112 /nfs/dbraw/zinc/92/41/12/1137924112.db2.gz PONXRQPWFYUXJQ-OAHLLOKOSA-N 1 2 341.430 3.631 20 0 EHADLO Cc1cccc(F)c1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001202709664 1137937831 /nfs/dbraw/zinc/93/78/31/1137937831.db2.gz SBNTTXMIFPBXFL-QGZVFWFLSA-N 1 2 338.386 3.894 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000332303550 1137939022 /nfs/dbraw/zinc/93/90/22/1137939022.db2.gz IFLIGIINYNJJTD-JKSUJKDBSA-N 1 2 333.407 3.857 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000332303550 1137939023 /nfs/dbraw/zinc/93/90/23/1137939023.db2.gz IFLIGIINYNJJTD-JKSUJKDBSA-N 1 2 333.407 3.857 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332414906 1137943303 /nfs/dbraw/zinc/94/33/03/1137943303.db2.gz LTLSGPWUYURMHX-UKRRQHHQSA-N 1 2 328.416 3.529 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@]1=O ZINC000429565625 1137943661 /nfs/dbraw/zinc/94/36/61/1137943661.db2.gz IJLJUYWPQQHCFT-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@]1=O ZINC000429565625 1137943662 /nfs/dbraw/zinc/94/36/62/1137943662.db2.gz IJLJUYWPQQHCFT-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccoc2C(=O)OC)cc1OCC ZINC000120094974 1137946530 /nfs/dbraw/zinc/94/65/30/1137946530.db2.gz JJFQGOXGEDSNGN-CYBMUJFWSA-N 1 2 347.411 3.714 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cs1 ZINC000121222235 1137956063 /nfs/dbraw/zinc/95/60/63/1137956063.db2.gz ZMYWKILDSPFGHE-CYBMUJFWSA-N 1 2 331.485 3.819 20 0 EHADLO Cn1c(C[N@@H+]2CCCCC[C@H]2c2ccco2)nc2ccccc2c1=O ZINC000121275503 1137956543 /nfs/dbraw/zinc/95/65/43/1137956543.db2.gz XEXXUPYMRYCBSY-KRWDZBQOSA-N 1 2 337.423 3.644 20 0 EHADLO Cn1c(C[N@H+]2CCCCC[C@H]2c2ccco2)nc2ccccc2c1=O ZINC000121275503 1137956544 /nfs/dbraw/zinc/95/65/44/1137956544.db2.gz XEXXUPYMRYCBSY-KRWDZBQOSA-N 1 2 337.423 3.644 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(=S)o1 ZINC000884482733 1137961033 /nfs/dbraw/zinc/96/10/33/1137961033.db2.gz GZPYKGBBKNRACP-GOEBONIOSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(=S)o1 ZINC000884482733 1137961034 /nfs/dbraw/zinc/96/10/34/1137961034.db2.gz GZPYKGBBKNRACP-GOEBONIOSA-N 1 2 345.468 3.639 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2ncccn2)C1 ZINC000884712628 1137970535 /nfs/dbraw/zinc/97/05/35/1137970535.db2.gz WSERAMREZICYRW-OAHLLOKOSA-N 1 2 334.423 3.726 20 0 EHADLO OC[C@]1(C(F)(F)F)CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000884728607 1137971569 /nfs/dbraw/zinc/97/15/69/1137971569.db2.gz VVSXMROWRPANMZ-AWEZNQCLSA-N 1 2 330.737 3.639 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000885592575 1138010377 /nfs/dbraw/zinc/01/03/77/1138010377.db2.gz ANCVCTONOJQYQG-ZXFUBFMLSA-N 1 2 328.437 3.590 20 0 EHADLO C[C@H](CC1CCC1)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242254 1138022753 /nfs/dbraw/zinc/02/27/53/1138022753.db2.gz NVRNLHIZFSTMIP-QAPCUYQASA-N 1 2 326.444 3.502 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccccc2OCC(F)F)nc2ccccc12 ZINC000885963124 1138028939 /nfs/dbraw/zinc/02/89/39/1138028939.db2.gz KTPFYBAHZWWVJT-UHFFFAOYSA-N 1 2 343.377 3.872 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@@H]2C ZINC000886162659 1138054277 /nfs/dbraw/zinc/05/42/77/1138054277.db2.gz VIDADBUXFVVWCB-DLBZAZTESA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](C[C@H](C)COCc1ccccc1)[C@@H]2C ZINC000886162659 1138054279 /nfs/dbraw/zinc/05/42/79/1138054279.db2.gz VIDADBUXFVVWCB-DLBZAZTESA-N 1 2 342.487 3.631 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ncn(C)n1 ZINC000886596560 1138100554 /nfs/dbraw/zinc/10/05/54/1138100554.db2.gz IIHPWSPOCXITPR-IINYFYTJSA-N 1 2 329.835 3.678 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000073865621 1138116425 /nfs/dbraw/zinc/11/64/25/1138116425.db2.gz SZSPDSACRPPCSM-HNNXBMFYSA-N 1 2 346.500 3.545 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nnc(C(C)(C)C)o3)C2)n1 ZINC000886698893 1138118256 /nfs/dbraw/zinc/11/82/56/1138118256.db2.gz PEFXTQAEZWLGKY-CYBMUJFWSA-N 1 2 334.489 3.587 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nnc(C(C)(C)C)o3)C2)n1 ZINC000886698893 1138118258 /nfs/dbraw/zinc/11/82/58/1138118258.db2.gz PEFXTQAEZWLGKY-CYBMUJFWSA-N 1 2 334.489 3.587 20 0 EHADLO C[C@@H](NC(=O)N1CCn2cccc2[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876318 1138124868 /nfs/dbraw/zinc/12/48/68/1138124868.db2.gz XXPHGKTXTFNTOH-CVEARBPZSA-N 1 2 349.438 3.521 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997914 1138129749 /nfs/dbraw/zinc/12/97/49/1138129749.db2.gz HMALAUGOQXFRNN-UHFFFAOYSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000078777943 1138152063 /nfs/dbraw/zinc/15/20/63/1138152063.db2.gz CZIAQOHPQARQLG-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000078777943 1138152064 /nfs/dbraw/zinc/15/20/64/1138152064.db2.gz CZIAQOHPQARQLG-UHFFFAOYSA-N 1 2 339.407 3.623 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000080059083 1138160651 /nfs/dbraw/zinc/16/06/51/1138160651.db2.gz XAGNLFZFGAARLF-MRXNPFEDSA-N 1 2 343.446 3.798 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cccc(-c2cccnc2)n1)n1cc[nH+]c1 ZINC000886980068 1138180277 /nfs/dbraw/zinc/18/02/77/1138180277.db2.gz IUYSEPZQLWALFF-KRWDZBQOSA-N 1 2 335.411 3.566 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000086371656 1138187003 /nfs/dbraw/zinc/18/70/03/1138187003.db2.gz JIXMUKCWBLOICQ-AWEZNQCLSA-N 1 2 344.434 3.730 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc(OC)c1O ZINC000348401003 1138187537 /nfs/dbraw/zinc/18/75/37/1138187537.db2.gz CMADRSKHYITVLQ-UHFFFAOYSA-N 1 2 339.794 3.834 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc(OC)c1O ZINC000348401003 1138187539 /nfs/dbraw/zinc/18/75/39/1138187539.db2.gz CMADRSKHYITVLQ-UHFFFAOYSA-N 1 2 339.794 3.834 20 0 EHADLO C[C@H](CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000089247933 1138196152 /nfs/dbraw/zinc/19/61/52/1138196152.db2.gz UDMKVPFUMJKWSP-HUUCEWRRSA-N 1 2 333.863 3.558 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1c(C(C)C)nc2ccccn21)n1cc[nH+]c1 ZINC000887076212 1138200053 /nfs/dbraw/zinc/20/00/53/1138200053.db2.gz APEJBZNXLZZGSH-HNNXBMFYSA-N 1 2 339.443 3.880 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)n1 ZINC000091836119 1138222299 /nfs/dbraw/zinc/22/22/99/1138222299.db2.gz VGYZYDUHCMROEB-UHFFFAOYSA-N 1 2 343.324 3.916 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](c3nc(C4CCCCC4)no3)C2)cc1 ZINC000122726061 1138261482 /nfs/dbraw/zinc/26/14/82/1138261482.db2.gz ZEHPQLRJNYZPLO-QGZVFWFLSA-N 1 2 327.428 3.691 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](c3nc(C4CCCCC4)no3)C2)cc1 ZINC000122726061 1138261485 /nfs/dbraw/zinc/26/14/85/1138261485.db2.gz ZEHPQLRJNYZPLO-QGZVFWFLSA-N 1 2 327.428 3.691 20 0 EHADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000123311097 1138268957 /nfs/dbraw/zinc/26/89/57/1138268957.db2.gz FLJBBRQMYQVLLX-IYOUNJFTSA-N 1 2 347.409 3.765 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000333278647 1138273409 /nfs/dbraw/zinc/27/34/09/1138273409.db2.gz OYMZHEPFMUWXTL-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000333278647 1138273411 /nfs/dbraw/zinc/27/34/11/1138273411.db2.gz OYMZHEPFMUWXTL-UHFFFAOYSA-N 1 2 333.461 3.575 20 0 EHADLO c1cc2c(c(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c1)CCCC2 ZINC000333378482 1138282937 /nfs/dbraw/zinc/28/29/37/1138282937.db2.gz ANVHMHYYBZNKSU-CRAIPNDOSA-N 1 2 339.439 3.541 20 0 EHADLO c1cc2c(c(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c1)CCCC2 ZINC000333378482 1138282938 /nfs/dbraw/zinc/28/29/38/1138282938.db2.gz ANVHMHYYBZNKSU-CRAIPNDOSA-N 1 2 339.439 3.541 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000124350120 1138284636 /nfs/dbraw/zinc/28/46/36/1138284636.db2.gz ZWVSLIWVXMWVJY-WMLDXEAASA-N 1 2 343.858 3.678 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000124389070 1138285658 /nfs/dbraw/zinc/28/56/58/1138285658.db2.gz WIGDOBCBBOCKOD-OXJNMPFZSA-N 1 2 333.435 3.689 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000124495783 1138287826 /nfs/dbraw/zinc/28/78/26/1138287826.db2.gz OEXBLQXEWCENMS-SFHVURJKSA-N 1 2 349.438 3.560 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(O)c1Br)c1cncc(F)c1 ZINC001202759288 1138315381 /nfs/dbraw/zinc/31/53/81/1138315381.db2.gz BIEQWHQAJSDIEG-VIFPVBQESA-N 1 2 325.181 3.540 20 0 EHADLO Cc1cccc(C)c1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000091063216 1138346629 /nfs/dbraw/zinc/34/66/29/1138346629.db2.gz WROPQBPKINHYNL-UHFFFAOYSA-N 1 2 325.456 3.519 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000263716190 1138348433 /nfs/dbraw/zinc/34/84/33/1138348433.db2.gz AMCKNPLBADDAOY-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NCCCNc1cccc[nH+]1 ZINC000263758122 1138358376 /nfs/dbraw/zinc/35/83/76/1138358376.db2.gz VLNGTZDMRRUNPC-UHFFFAOYSA-N 1 2 332.473 3.565 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000127887229 1138374083 /nfs/dbraw/zinc/37/40/83/1138374083.db2.gz LYEWQZVEUIEVLE-CQSZACIVSA-N 1 2 346.500 3.574 20 0 EHADLO Cc1ccc(-c2cnc(C[NH+]3CCC(O)(C(F)(F)F)CC3)o2)cc1 ZINC000128109395 1138380495 /nfs/dbraw/zinc/38/04/95/1138380495.db2.gz FZGKYNLVNZGQIB-UHFFFAOYSA-N 1 2 340.345 3.539 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000263927781 1138393840 /nfs/dbraw/zinc/39/38/40/1138393840.db2.gz ATPDAPGRXFAXFP-OCCSQVGLSA-N 1 2 332.835 3.713 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263957587 1138398261 /nfs/dbraw/zinc/39/82/61/1138398261.db2.gz UIPDQBJAWKISJF-AWEZNQCLSA-N 1 2 349.887 3.703 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264121095 1138423136 /nfs/dbraw/zinc/42/31/36/1138423136.db2.gz HDRRRCXFTNUJEW-INIZCTEOSA-N 1 2 340.471 3.585 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264151619 1138429768 /nfs/dbraw/zinc/42/97/68/1138429768.db2.gz MVYHDWWYKJOBKA-MSOLQXFVSA-N 1 2 325.456 3.946 20 0 EHADLO Cc1cncc(CNc2cc[nH+]c3c(Br)ccc(F)c23)c1 ZINC000336972619 1138438792 /nfs/dbraw/zinc/43/87/92/1138438792.db2.gz LUQMDCOYBQNHOQ-UHFFFAOYSA-N 1 2 346.203 3.874 20 0 EHADLO CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@H](C)C(C)C ZINC000264213641 1138444709 /nfs/dbraw/zinc/44/47/09/1138444709.db2.gz HTOIFLHWALTCSF-SJORKVTESA-N 1 2 347.503 3.978 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1)[NH+]1CCOCC1 ZINC000264298776 1138467161 /nfs/dbraw/zinc/46/71/61/1138467161.db2.gz XBHIPIPDDPVJLI-OAHLLOKOSA-N 1 2 349.434 3.813 20 0 EHADLO C[C@H](CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000887578627 1138468930 /nfs/dbraw/zinc/46/89/30/1138468930.db2.gz AWUAVKOHZMFSNE-SJLPKXTDSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337134604 1138475165 /nfs/dbraw/zinc/47/51/65/1138475165.db2.gz NHGOSKOJYDJWID-KNBMTAEXSA-N 1 2 329.488 3.608 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cn3cc(C)ccc3n2)o1 ZINC000130829499 1138479119 /nfs/dbraw/zinc/47/91/19/1138479119.db2.gz IRHMIFUILYBOJA-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cn3cc(C)ccc3n2)o1 ZINC000130829499 1138479121 /nfs/dbraw/zinc/47/91/21/1138479121.db2.gz IRHMIFUILYBOJA-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@H](C)c3nc(CC)no3)CC2)cc1 ZINC000130831417 1138479546 /nfs/dbraw/zinc/47/95/46/1138479546.db2.gz PGYCORKPVDTVNW-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)c3nc(CC)no3)CC2)cc1 ZINC000130831417 1138479548 /nfs/dbraw/zinc/47/95/48/1138479548.db2.gz PGYCORKPVDTVNW-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccc(CSC(F)F)o3)cn2c1 ZINC000264386328 1138496739 /nfs/dbraw/zinc/49/67/39/1138496739.db2.gz QGSORLKAZAYYDS-UHFFFAOYSA-N 1 2 337.395 3.981 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1Cc2ccccc2C1 ZINC000264399433 1138501114 /nfs/dbraw/zinc/50/11/14/1138501114.db2.gz PPFPMONDDWOSED-UHFFFAOYSA-N 1 2 342.468 3.677 20 0 EHADLO Fc1ccccc1[C@@H]1CC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000264451941 1138521094 /nfs/dbraw/zinc/52/10/94/1138521094.db2.gz NDEHTRYSDGMLIS-GFCCVEGCSA-N 1 2 327.325 3.574 20 0 EHADLO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000264451941 1138521098 /nfs/dbraw/zinc/52/10/98/1138521098.db2.gz NDEHTRYSDGMLIS-GFCCVEGCSA-N 1 2 327.325 3.574 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264488355 1138533656 /nfs/dbraw/zinc/53/36/56/1138533656.db2.gz BUHADDZKQOJGRE-SJLPKXTDSA-N 1 2 340.471 3.547 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1)[NH+]1CCOCC1 ZINC000264492539 1138535373 /nfs/dbraw/zinc/53/53/73/1138535373.db2.gz JMAMKRRGIBTRIY-OAHLLOKOSA-N 1 2 349.434 3.813 20 0 EHADLO FC(F)O[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000337406212 1138558924 /nfs/dbraw/zinc/55/89/24/1138558924.db2.gz LUEIKZDQTGCNKR-STQMWFEESA-N 1 2 329.391 3.757 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1Cl ZINC000264605670 1138573735 /nfs/dbraw/zinc/57/37/35/1138573735.db2.gz DCTGHABIUMWEGF-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000264605670 1138573738 /nfs/dbraw/zinc/57/37/38/1138573738.db2.gz DCTGHABIUMWEGF-UONOGXRCSA-N 1 2 346.862 3.512 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000337501415 1138587972 /nfs/dbraw/zinc/58/79/72/1138587972.db2.gz MBOLHYPVFWDKBB-HLNFJOJTSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000337501415 1138587974 /nfs/dbraw/zinc/58/79/74/1138587974.db2.gz MBOLHYPVFWDKBB-HLNFJOJTSA-N 1 2 345.430 3.952 20 0 EHADLO Cc1ccc(F)c(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000337516058 1138592341 /nfs/dbraw/zinc/59/23/41/1138592341.db2.gz QDQNBBYBMSCFNM-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CC(C)OCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264702738 1138610974 /nfs/dbraw/zinc/61/09/74/1138610974.db2.gz HHORTIJCGQQURN-INIZCTEOSA-N 1 2 342.443 3.746 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264730819 1138619848 /nfs/dbraw/zinc/61/98/48/1138619848.db2.gz NPDYGGULBNYJDL-CQSZACIVSA-N 1 2 328.416 3.610 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264783984 1138638246 /nfs/dbraw/zinc/63/82/46/1138638246.db2.gz QCZLXPQVKABBTH-KZNAEPCWSA-N 1 2 338.455 3.635 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000264819977 1138648667 /nfs/dbraw/zinc/64/86/67/1138648667.db2.gz CREUYDHRLQLENJ-FUHWJXTLSA-N 1 2 338.455 3.758 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000264861878 1138660306 /nfs/dbraw/zinc/66/03/06/1138660306.db2.gz FTRCACQIORPEAB-MRXNPFEDSA-N 1 2 345.487 3.734 20 0 EHADLO Brc1sccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000337802830 1138671819 /nfs/dbraw/zinc/67/18/19/1138671819.db2.gz JGNOJHCBSLUBQL-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO Brc1sccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000337802830 1138671822 /nfs/dbraw/zinc/67/18/22/1138671822.db2.gz JGNOJHCBSLUBQL-UHFFFAOYSA-N 1 2 339.262 3.513 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC2(CCC2)C1 ZINC000348461750 1138672371 /nfs/dbraw/zinc/67/23/71/1138672371.db2.gz KGWXUHOFFJIMKA-UHFFFAOYSA-N 1 2 348.516 3.927 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1ncnn1C(C)(C)C ZINC000337877462 1138688713 /nfs/dbraw/zinc/68/87/13/1138688713.db2.gz ZXSVWOSAZRTXRT-UHFFFAOYSA-N 1 2 341.484 3.961 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Cl)ccc2C)c1C ZINC000337906778 1138695777 /nfs/dbraw/zinc/69/57/77/1138695777.db2.gz DAKLJAPDKVAAPJ-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](CCSc3ccccc3)CC2)s1 ZINC000337967773 1138712001 /nfs/dbraw/zinc/71/20/01/1138712001.db2.gz IPWGTWMCLDMBEF-UHFFFAOYSA-N 1 2 346.521 3.607 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000338031134 1138728358 /nfs/dbraw/zinc/72/83/58/1138728358.db2.gz RWHXBYAECBNADA-UHFFFAOYSA-N 1 2 339.370 3.630 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265147578 1138745559 /nfs/dbraw/zinc/74/55/59/1138745559.db2.gz DPCRDAGOJOZECN-UWJYYQICSA-N 1 2 345.446 3.950 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000265247801 1138780994 /nfs/dbraw/zinc/78/09/94/1138780994.db2.gz NMRYSESKKCTGAH-BEFAXECRSA-N 1 2 326.440 3.565 20 0 EHADLO CC1(C)Cc2cc(C[NH2+][C@H](CO)c3c(F)cccc3F)ccc2O1 ZINC000265256082 1138784581 /nfs/dbraw/zinc/78/45/81/1138784581.db2.gz PMNOJKGNQIAADL-MRXNPFEDSA-N 1 2 333.378 3.502 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1F ZINC000338257355 1138803225 /nfs/dbraw/zinc/80/32/25/1138803225.db2.gz LMOHEZKWVBNUSK-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO Cc1ccc2c(C[NH2+][C@H](C)c3nc(C(C)(C)C)no3)ccc(O)c2n1 ZINC000338295851 1138821468 /nfs/dbraw/zinc/82/14/68/1138821468.db2.gz IMHFDNOZZNILNH-GFCCVEGCSA-N 1 2 340.427 3.780 20 0 EHADLO CC(C)[C@@H]1CCCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265368509 1138835605 /nfs/dbraw/zinc/83/56/05/1138835605.db2.gz MVQGNVFAVBNTCQ-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137294361 1138843862 /nfs/dbraw/zinc/84/38/62/1138843862.db2.gz SRLWITQSCMKPSS-MRXNPFEDSA-N 1 2 344.459 3.530 20 0 EHADLO CCOc1ncccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338381404 1138875001 /nfs/dbraw/zinc/87/50/01/1138875001.db2.gz YURQLTWDTBAUBU-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO CCc1ccccc1[C@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000338406396 1138897213 /nfs/dbraw/zinc/89/72/13/1138897213.db2.gz LJGKUOKYKRHZPJ-WOJBJXKFSA-N 1 2 349.478 3.664 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 ZINC000348486768 1138928638 /nfs/dbraw/zinc/92/86/38/1138928638.db2.gz ALBKIZVPEFVLEF-ZJUUUORDSA-N 1 2 341.839 3.922 20 0 EHADLO CCCCSCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000150731559 1138978251 /nfs/dbraw/zinc/97/82/51/1138978251.db2.gz RPRGUYVUOWIJPR-UHFFFAOYSA-N 1 2 335.517 3.612 20 0 EHADLO CC(C)(C)O[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000151614898 1139047888 /nfs/dbraw/zinc/04/78/88/1139047888.db2.gz CVBCVRRXSXODDM-SFHVURJKSA-N 1 2 341.455 3.603 20 0 EHADLO C[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000153483986 1139139066 /nfs/dbraw/zinc/13/90/66/1139139066.db2.gz CDPLBXOQEZXBOI-LBPRGKRZSA-N 1 2 340.254 3.575 20 0 EHADLO Cc1ccc(CN(CCCC(C)C)C(=O)NCCc2cn(C)c[nH+]2)o1 ZINC000889219279 1139178604 /nfs/dbraw/zinc/17/86/04/1139178604.db2.gz HTHOUYICUCKZEZ-UHFFFAOYSA-N 1 2 346.475 3.512 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000889543179 1139229190 /nfs/dbraw/zinc/22/91/90/1139229190.db2.gz TZURRBDTLKJBSN-XSLAGTTESA-N 1 2 342.487 3.779 20 0 EHADLO CC(NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)(C1CC1)C1CC1 ZINC000890243774 1139329292 /nfs/dbraw/zinc/32/92/92/1139329292.db2.gz UQIIWCFEPHSMGP-GOSISDBHSA-N 1 2 338.455 3.502 20 0 EHADLO CN(C[C@H]1CC=CCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255254 1139331771 /nfs/dbraw/zinc/33/17/71/1139331771.db2.gz PQUQHPJBIZPWEN-PKOBYXMFSA-N 1 2 338.455 3.622 20 0 EHADLO COc1ccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000174185191 1139404801 /nfs/dbraw/zinc/40/48/01/1139404801.db2.gz JLLXDVKWWOMVSJ-UHFFFAOYSA-N 1 2 341.333 3.520 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1cccnc1 ZINC000174211755 1139406689 /nfs/dbraw/zinc/40/66/89/1139406689.db2.gz JZELZCCBKREXIJ-CQSZACIVSA-N 1 2 344.484 3.512 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1)c1ccccc1 ZINC000175167759 1139469164 /nfs/dbraw/zinc/46/91/64/1139469164.db2.gz AKAQRERTRJSSAW-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1)c1ccccc1 ZINC000175167759 1139469167 /nfs/dbraw/zinc/46/91/67/1139469167.db2.gz AKAQRERTRJSSAW-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000176385500 1139555425 /nfs/dbraw/zinc/55/54/25/1139555425.db2.gz UHYUNHFCDXVNNH-YSGRDPCXSA-N 1 2 333.435 3.592 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177641451 1139630348 /nfs/dbraw/zinc/63/03/48/1139630348.db2.gz KSNLBOSSQGWPGI-ZDUSSCGKSA-N 1 2 329.444 3.525 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177641451 1139630353 /nfs/dbraw/zinc/63/03/53/1139630353.db2.gz KSNLBOSSQGWPGI-ZDUSSCGKSA-N 1 2 329.444 3.525 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H](c2ccco2)C1 ZINC000177777168 1139641061 /nfs/dbraw/zinc/64/10/61/1139641061.db2.gz JCRROFHJZQGTRA-GOEBONIOSA-N 1 2 338.411 3.610 20 0 EHADLO CC(=O)N1CCC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178568927 1139704055 /nfs/dbraw/zinc/70/40/55/1139704055.db2.gz KKOWPAFAOGIVMT-CYBMUJFWSA-N 1 2 347.846 3.610 20 0 EHADLO CC(=O)N1CCC[N@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178568927 1139704060 /nfs/dbraw/zinc/70/40/60/1139704060.db2.gz KKOWPAFAOGIVMT-CYBMUJFWSA-N 1 2 347.846 3.610 20 0 EHADLO C[N@H+](CCc1nccs1)Cc1csc(COc2ccccc2)n1 ZINC000179067432 1139733144 /nfs/dbraw/zinc/73/31/44/1139733144.db2.gz IQUYOEKUDMRNEL-UHFFFAOYSA-N 1 2 345.493 3.853 20 0 EHADLO C[N@@H+](CCc1nccs1)Cc1csc(COc2ccccc2)n1 ZINC000179067432 1139733154 /nfs/dbraw/zinc/73/31/54/1139733154.db2.gz IQUYOEKUDMRNEL-UHFFFAOYSA-N 1 2 345.493 3.853 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179194128 1139741228 /nfs/dbraw/zinc/74/12/28/1139741228.db2.gz IMXVUAPFOYVOBC-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO CCCn1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1C ZINC000179425738 1139756485 /nfs/dbraw/zinc/75/64/85/1139756485.db2.gz UANUTCKRHBCQGC-IBGZPJMESA-N 1 2 331.435 3.623 20 0 EHADLO CCCn1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1C ZINC000179425738 1139756488 /nfs/dbraw/zinc/75/64/88/1139756488.db2.gz UANUTCKRHBCQGC-IBGZPJMESA-N 1 2 331.435 3.623 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000179681441 1139775039 /nfs/dbraw/zinc/77/50/39/1139775039.db2.gz KNIHRLPCLJYZBP-UHFFFAOYSA-N 1 2 337.398 3.824 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000179681441 1139775044 /nfs/dbraw/zinc/77/50/44/1139775044.db2.gz KNIHRLPCLJYZBP-UHFFFAOYSA-N 1 2 337.398 3.824 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000179752600 1139780339 /nfs/dbraw/zinc/78/03/39/1139780339.db2.gz IKPZEDWBYBAPIE-CQSZACIVSA-N 1 2 327.384 3.969 20 0 EHADLO CC1(C)[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000179902239 1139791230 /nfs/dbraw/zinc/79/12/30/1139791230.db2.gz UMXASUOSSNHTTR-SQNIBIBYSA-N 1 2 332.513 3.855 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180284616 1139824441 /nfs/dbraw/zinc/82/44/41/1139824441.db2.gz WFGGNTBQLSILJX-SJCJKPOMSA-N 1 2 333.407 3.937 20 0 EHADLO CN(C(=O)C[N@H+](Cc1cccnc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000180283567 1139824800 /nfs/dbraw/zinc/82/48/00/1139824800.db2.gz ODMUTSHMICRWGN-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO CN(C(=O)C[N@@H+](Cc1cccnc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000180283567 1139824804 /nfs/dbraw/zinc/82/48/04/1139824804.db2.gz ODMUTSHMICRWGN-OAQYLSRUSA-N 1 2 349.478 3.582 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(C2CC2)no1)c1ccc2c(c1)OCCO2 ZINC000180620182 1139850197 /nfs/dbraw/zinc/85/01/97/1139850197.db2.gz DOLWZLYZSBQAQS-BXUZGUMPSA-N 1 2 329.400 3.520 20 0 EHADLO CC(C)c1noc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000180949465 1139874186 /nfs/dbraw/zinc/87/41/86/1139874186.db2.gz FGUCHBJIIQGVEQ-LLVKDONJSA-N 1 2 343.349 3.985 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(Br)cc1 ZINC000181129323 1139886986 /nfs/dbraw/zinc/88/69/86/1139886986.db2.gz GKQOUVCQBWRGDG-SNVBAGLBSA-N 1 2 338.249 3.980 20 0 EHADLO Cc1csc([C@H]([NH2+]Cc2cc(=O)oc3cc(O)ccc23)C2CC2)n1 ZINC000181610433 1139918979 /nfs/dbraw/zinc/91/89/79/1139918979.db2.gz IXOUGYIJDLRRRE-QGZVFWFLSA-N 1 2 342.420 3.504 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ncc(C(C)(C)C)o1 ZINC000181903473 1139939196 /nfs/dbraw/zinc/93/91/96/1139939196.db2.gz HBZMQGHOQPWSMA-UONOGXRCSA-N 1 2 339.443 3.965 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000182018091 1139945855 /nfs/dbraw/zinc/94/58/55/1139945855.db2.gz ZHLIBCAOWAYNDC-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)c2ccccc2)c(C)c1 ZINC000182085248 1139949685 /nfs/dbraw/zinc/94/96/85/1139949685.db2.gz LVXNOWRZSVGAOL-UHFFFAOYSA-N 1 2 338.451 3.755 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)c2ccccc2)c(C)c1 ZINC000182085248 1139949687 /nfs/dbraw/zinc/94/96/87/1139949687.db2.gz LVXNOWRZSVGAOL-UHFFFAOYSA-N 1 2 338.451 3.755 20 0 EHADLO COCCC[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182496512 1139975992 /nfs/dbraw/zinc/97/59/92/1139975992.db2.gz FBFHYMRXZGZLSC-OAHLLOKOSA-N 1 2 341.455 3.888 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000182779059 1139992198 /nfs/dbraw/zinc/99/21/98/1139992198.db2.gz YRAKEYFJTFTQDS-QGZVFWFLSA-N 1 2 338.451 3.569 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cnn1C ZINC000183430029 1140037426 /nfs/dbraw/zinc/03/74/26/1140037426.db2.gz HZMWOCVBRYUTSI-NEPJUHHUSA-N 1 2 343.406 3.638 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2nc3ccccc3s2)s1 ZINC000183941106 1140068194 /nfs/dbraw/zinc/06/81/94/1140068194.db2.gz POVIBYDENYHXFC-UHFFFAOYSA-N 1 2 346.481 3.525 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)s1 ZINC000183948767 1140068976 /nfs/dbraw/zinc/06/89/76/1140068976.db2.gz KOACNJODWLXZMN-UHFFFAOYSA-N 1 2 344.436 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c1C ZINC000183968801 1140070992 /nfs/dbraw/zinc/07/09/92/1140070992.db2.gz YPXNLVBNUIYHDC-ZWNOBZJWSA-N 1 2 347.484 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c1C ZINC000183968801 1140070996 /nfs/dbraw/zinc/07/09/96/1140070996.db2.gz YPXNLVBNUIYHDC-ZWNOBZJWSA-N 1 2 347.484 3.597 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](C)[C@@H](C)c3cc(F)ccc3F)on2)cnn1C ZINC000184453853 1140103339 /nfs/dbraw/zinc/10/33/39/1140103339.db2.gz XODCCZZIFXKZCZ-NSHDSACASA-N 1 2 346.381 3.855 20 0 EHADLO Cc1c(-c2cc(C[N@H+](C)[C@@H](C)c3cc(F)ccc3F)on2)cnn1C ZINC000184453853 1140103341 /nfs/dbraw/zinc/10/33/41/1140103341.db2.gz XODCCZZIFXKZCZ-NSHDSACASA-N 1 2 346.381 3.855 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1C)c1ccco1 ZINC000184588548 1140110315 /nfs/dbraw/zinc/11/03/15/1140110315.db2.gz VIMRQLFMMGLDCM-WFASDCNBSA-N 1 2 336.819 3.546 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1)c1ccccc1 ZINC000184597324 1140110936 /nfs/dbraw/zinc/11/09/36/1140110936.db2.gz WKDJEVUZCLEVKL-JQHSSLGASA-N 1 2 344.455 3.603 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(C)o1 ZINC000184731124 1140117297 /nfs/dbraw/zinc/11/72/97/1140117297.db2.gz ZJMKCKRDODWANP-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000184797898 1140120777 /nfs/dbraw/zinc/12/07/77/1140120777.db2.gz JBTCNKWLNYRLPD-ONEGZZNKSA-N 1 2 330.369 3.797 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000184797898 1140120779 /nfs/dbraw/zinc/12/07/79/1140120779.db2.gz JBTCNKWLNYRLPD-ONEGZZNKSA-N 1 2 330.369 3.797 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCCCC1 ZINC000184869521 1140123540 /nfs/dbraw/zinc/12/35/40/1140123540.db2.gz DRQCNQQRBXYQFE-HOTGVXAUSA-N 1 2 341.455 3.783 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184883687 1140124107 /nfs/dbraw/zinc/12/41/07/1140124107.db2.gz JLMPJGOQSAVJIX-JYJNAYRXSA-N 1 2 341.455 3.782 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185646891 1140160900 /nfs/dbraw/zinc/16/09/00/1140160900.db2.gz ZTSGPHGENQAFBV-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185646891 1140160901 /nfs/dbraw/zinc/16/09/01/1140160901.db2.gz ZTSGPHGENQAFBV-LJQANCHMSA-N 1 2 344.842 3.872 20 0 EHADLO CCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCCC1 ZINC000185966813 1140179785 /nfs/dbraw/zinc/17/97/85/1140179785.db2.gz VUMRWTIKSVYKNK-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(C)c1 ZINC000186432668 1140203760 /nfs/dbraw/zinc/20/37/60/1140203760.db2.gz AKCULNZFCVTOMK-INIZCTEOSA-N 1 2 336.439 3.851 20 0 EHADLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000186439132 1140204296 /nfs/dbraw/zinc/20/42/96/1140204296.db2.gz NGFYQLDHFLDIBF-HNNXBMFYSA-N 1 2 348.450 3.723 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000186554366 1140210132 /nfs/dbraw/zinc/21/01/32/1140210132.db2.gz IWSOSZABZYJVQQ-RISCZKNCSA-N 1 2 339.819 3.725 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)o1 ZINC000186569674 1140210865 /nfs/dbraw/zinc/21/08/65/1140210865.db2.gz PZPYGWBKUNJDSZ-UHFFFAOYSA-N 1 2 325.767 3.884 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3CCC(C)(CO)CC3)cs2)cc1 ZINC000186910502 1140227627 /nfs/dbraw/zinc/22/76/27/1140227627.db2.gz KNGVMCVLLQDTIU-UHFFFAOYSA-N 1 2 346.496 3.625 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)CCc3c[nH+]cn3C)n2)c(C)c1 ZINC000188960802 1140315722 /nfs/dbraw/zinc/31/57/22/1140315722.db2.gz FVMGPBNKNVMFRE-UHFFFAOYSA-N 1 2 340.452 3.732 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)s1 ZINC000189275304 1140332445 /nfs/dbraw/zinc/33/24/45/1140332445.db2.gz CATCSXNSEWEZMF-ZDUSSCGKSA-N 1 2 330.432 3.686 20 0 EHADLO CC1(C)C[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC(C)(C)O1 ZINC000190549386 1140409241 /nfs/dbraw/zinc/40/92/41/1140409241.db2.gz IXRIEFVUSMPKAP-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3nccs3)C2=O)c(C)c1 ZINC000190962209 1140428409 /nfs/dbraw/zinc/42/84/09/1140428409.db2.gz HSPCPXUPMFOJKD-GJZGRUSLSA-N 1 2 329.469 3.524 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2ccncc2)CC1 ZINC000191633838 1140476739 /nfs/dbraw/zinc/47/67/39/1140476739.db2.gz UTXFWCTWWUKRSO-CQSZACIVSA-N 1 2 343.858 3.942 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000192259680 1140516871 /nfs/dbraw/zinc/51/68/71/1140516871.db2.gz NJRKHMFIDDMBTB-GOSISDBHSA-N 1 2 341.499 3.871 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193317655 1140571031 /nfs/dbraw/zinc/57/10/31/1140571031.db2.gz UORFFKAXIYDPCY-UZLBHIALSA-N 1 2 325.456 3.661 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000266134929 1140645366 /nfs/dbraw/zinc/64/53/66/1140645366.db2.gz FIGHGMYNOBXGNR-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1cc(NCCc2nc(C(F)(F)F)cs2)nc(C2CC2)[nH+]1 ZINC000266175064 1140651326 /nfs/dbraw/zinc/65/13/26/1140651326.db2.gz AGTKKAZXRVQEQW-UHFFFAOYSA-N 1 2 328.363 3.792 20 0 EHADLO CCC[C@H](C)c1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n[nH]1 ZINC000266514013 1140697228 /nfs/dbraw/zinc/69/72/28/1140697228.db2.gz MSDIBUZUXHHTNU-AWEZNQCLSA-N 1 2 337.427 3.810 20 0 EHADLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266716147 1140718533 /nfs/dbraw/zinc/71/85/33/1140718533.db2.gz GGXZIOCZBXCHMU-NSHDSACASA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266709692 1140718561 /nfs/dbraw/zinc/71/85/61/1140718561.db2.gz JBNURMOXEAKQQV-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266709692 1140718568 /nfs/dbraw/zinc/71/85/68/1140718568.db2.gz JBNURMOXEAKQQV-CJNGLKHVSA-N 1 2 349.862 3.876 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267341707 1140781056 /nfs/dbraw/zinc/78/10/56/1140781056.db2.gz JXPOTGXYKBZXCY-AWEZNQCLSA-N 1 2 327.428 3.607 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1Cl ZINC000267625336 1140812040 /nfs/dbraw/zinc/81/20/40/1140812040.db2.gz MHPOEOBOEVFRGS-JTQLQIEISA-N 1 2 326.849 3.802 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCn1cc[nH+]c1 ZINC000267948408 1140853914 /nfs/dbraw/zinc/85/39/14/1140853914.db2.gz AGIJUIMRIKZAHS-NSHDSACASA-N 1 2 338.238 3.726 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccncc1 ZINC000267971622 1140858257 /nfs/dbraw/zinc/85/82/57/1140858257.db2.gz ZQZYPPQERVUWIH-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccncc1 ZINC000267971622 1140858269 /nfs/dbraw/zinc/85/82/69/1140858269.db2.gz ZQZYPPQERVUWIH-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000268104933 1140882996 /nfs/dbraw/zinc/88/29/96/1140882996.db2.gz FKQUUYMNHYQFPP-LBPRGKRZSA-N 1 2 340.349 3.588 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268347001 1140924368 /nfs/dbraw/zinc/92/43/68/1140924368.db2.gz BZJDRIWWXWMRPA-UONOGXRCSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268347001 1140924373 /nfs/dbraw/zinc/92/43/73/1140924373.db2.gz BZJDRIWWXWMRPA-UONOGXRCSA-N 1 2 337.851 3.535 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1nccs1 ZINC000268779251 1140990546 /nfs/dbraw/zinc/99/05/46/1140990546.db2.gz IBBMSFNATXKJMO-LLVKDONJSA-N 1 2 325.231 3.519 20 0 EHADLO COCc1ccc(C[NH2+]Cc2ccc(F)cc2Br)o1 ZINC000268802359 1140996350 /nfs/dbraw/zinc/99/63/50/1140996350.db2.gz QPMDFWGMBMTARR-UHFFFAOYSA-N 1 2 328.181 3.617 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000269087636 1141062990 /nfs/dbraw/zinc/06/29/90/1141062990.db2.gz PUPFHVZTXLANBP-NWDGAFQWSA-N 1 2 337.464 3.906 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(C(F)F)ccc1Cl ZINC000269149507 1141072902 /nfs/dbraw/zinc/07/29/02/1141072902.db2.gz QJTCFRKQXINHBV-UHFFFAOYSA-N 1 2 328.750 3.686 20 0 EHADLO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269438697 1141108615 /nfs/dbraw/zinc/10/86/15/1141108615.db2.gz NBQQYDWYKKTRQQ-ZDUSSCGKSA-N 1 2 340.814 3.631 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ncc(Br)s2)s1 ZINC000270120367 1141181451 /nfs/dbraw/zinc/18/14/51/1141181451.db2.gz GSKFWWSRGNSCSL-ZETCQYMHSA-N 1 2 332.292 3.830 20 0 EHADLO CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270374086 1141215044 /nfs/dbraw/zinc/21/50/44/1141215044.db2.gz UPCUOMROSQJGCM-UHFFFAOYSA-N 1 2 336.439 3.866 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)CCCSCc2ccccc2)n1 ZINC000270588470 1141242128 /nfs/dbraw/zinc/24/21/28/1141242128.db2.gz SQCFSLLLTVVKEV-CQSZACIVSA-N 1 2 335.473 3.532 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)CCCSCc2ccccc2)n1 ZINC000270588470 1141242133 /nfs/dbraw/zinc/24/21/33/1141242133.db2.gz SQCFSLLLTVVKEV-CQSZACIVSA-N 1 2 335.473 3.532 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c[nH]1 ZINC000271043857 1141299385 /nfs/dbraw/zinc/29/93/85/1141299385.db2.gz PQBGRGMQJUQPLE-LLVKDONJSA-N 1 2 329.425 3.604 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c[nH]1 ZINC000271043857 1141299391 /nfs/dbraw/zinc/29/93/91/1141299391.db2.gz PQBGRGMQJUQPLE-LLVKDONJSA-N 1 2 329.425 3.604 20 0 EHADLO C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271118439 1141309911 /nfs/dbraw/zinc/30/99/11/1141309911.db2.gz KJMOMBVYCUTOSH-WMLDXEAASA-N 1 2 349.434 3.546 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271116847 1141309963 /nfs/dbraw/zinc/30/99/63/1141309963.db2.gz HVOKSTRKPABYDV-AWEZNQCLSA-N 1 2 328.416 3.610 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](C)c2cscn2)c1OC(F)F ZINC000271121768 1141311010 /nfs/dbraw/zinc/31/10/10/1141311010.db2.gz JOCXKXSHESJUFS-SNVBAGLBSA-N 1 2 328.384 3.994 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](C)c2cscn2)c1OC(F)F ZINC000271121765 1141311292 /nfs/dbraw/zinc/31/12/92/1141311292.db2.gz JOCXKXSHESJUFS-JTQLQIEISA-N 1 2 328.384 3.994 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000271442474 1141367867 /nfs/dbraw/zinc/36/78/67/1141367867.db2.gz DLZRFTYCBWULHH-AWEZNQCLSA-N 1 2 349.438 3.534 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 ZINC000271470443 1141375340 /nfs/dbraw/zinc/37/53/40/1141375340.db2.gz LSZHHDFMHNJEDN-LRDDRELGSA-N 1 2 349.377 3.510 20 0 EHADLO Cc1ccccc1C([NH2+]Cc1nnnn1C1CC1)c1ccccc1C ZINC000273971892 1141455554 /nfs/dbraw/zinc/45/55/54/1141455554.db2.gz PHBGCNIXVCNWAR-UHFFFAOYSA-N 1 2 333.439 3.504 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC2(C1)CCCCC2 ZINC000273977286 1141456136 /nfs/dbraw/zinc/45/61/36/1141456136.db2.gz KJYFBXFHXBCZHB-UHFFFAOYSA-N 1 2 342.487 3.548 20 0 EHADLO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)c3ccco3)nc12 ZINC000274123283 1141477430 /nfs/dbraw/zinc/47/74/30/1141477430.db2.gz AUQGTNAJIMUGLA-NSHDSACASA-N 1 2 334.217 3.849 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339203519 1141527436 /nfs/dbraw/zinc/52/74/36/1141527436.db2.gz OUYSNYYWQSFKDW-UHFFFAOYSA-N 1 2 337.423 3.739 20 0 EHADLO Cc1cncc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000274440423 1141529344 /nfs/dbraw/zinc/52/93/44/1141529344.db2.gz XHDUVVIOGFCJFU-XHSDSOJGSA-N 1 2 326.444 3.572 20 0 EHADLO CC[N@H+](CC(=O)N1CCn2cccc2[C@H]1C)Cc1ccccc1Cl ZINC000339246030 1141539104 /nfs/dbraw/zinc/53/91/04/1141539104.db2.gz NLVIGDNIESVJKI-OAHLLOKOSA-N 1 2 345.874 3.567 20 0 EHADLO CC[N@@H+](CC(=O)N1CCn2cccc2[C@H]1C)Cc1ccccc1Cl ZINC000339246030 1141539109 /nfs/dbraw/zinc/53/91/09/1141539109.db2.gz NLVIGDNIESVJKI-OAHLLOKOSA-N 1 2 345.874 3.567 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C1CCCC1 ZINC000283071465 1141546964 /nfs/dbraw/zinc/54/69/64/1141546964.db2.gz UVEDDXKZMUGIRP-UHFFFAOYSA-N 1 2 344.503 3.614 20 0 EHADLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(CO)cc3)n2)cc1F ZINC000348537620 1141547740 /nfs/dbraw/zinc/54/77/40/1141547740.db2.gz XCSZGVUDVUFBIX-ZDUSSCGKSA-N 1 2 341.386 3.527 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000348667522 1141564339 /nfs/dbraw/zinc/56/43/39/1141564339.db2.gz CZWQZMWKDTUEHK-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000348667522 1141564343 /nfs/dbraw/zinc/56/43/43/1141564343.db2.gz CZWQZMWKDTUEHK-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccnc1 ZINC000348796298 1141580841 /nfs/dbraw/zinc/58/08/41/1141580841.db2.gz DIHXTJZLEDXISD-JXXFODFXSA-N 1 2 340.471 3.899 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195674542 241032335 /nfs/dbraw/zinc/03/23/35/241032335.db2.gz LFBOQOOANVXEOU-CHWSQXEVSA-N 1 2 346.368 3.619 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195674542 241032338 /nfs/dbraw/zinc/03/23/38/241032338.db2.gz LFBOQOOANVXEOU-CHWSQXEVSA-N 1 2 346.368 3.619 20 0 EHADLO O=C(NCCc1cccc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097261423 219005974 /nfs/dbraw/zinc/00/59/74/219005974.db2.gz XJERIUBLRUYAIO-UHFFFAOYSA-N 1 2 341.414 3.998 20 0 EHADLO Cc1cccn2cc(CNc3ccn(C4CCSCC4)n3)[nH+]c12 ZINC000634569611 480362538 /nfs/dbraw/zinc/36/25/38/480362538.db2.gz IMQDRKFSTSEPBN-UHFFFAOYSA-N 1 2 327.457 3.519 20 0 EHADLO Cc1cscc1NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000626455861 480364412 /nfs/dbraw/zinc/36/44/12/480364412.db2.gz YBKPSOVBZVEPFQ-UHFFFAOYSA-N 1 2 333.461 3.512 20 0 EHADLO CC(C)COc1cccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000363375168 519763924 /nfs/dbraw/zinc/76/39/24/519763924.db2.gz PUVOJHPSKVBJLK-QGZVFWFLSA-N 1 2 327.428 3.812 20 0 EHADLO c1c(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)[nH+]c2ccccn12 ZINC000286263100 563644356 /nfs/dbraw/zinc/64/43/56/563644356.db2.gz NGDLGFAWDKTVEU-INIZCTEOSA-N 1 2 337.427 3.712 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1OC ZINC000275463012 564008938 /nfs/dbraw/zinc/00/89/38/564008938.db2.gz HGWHNIBUXBNRIJ-KRWDZBQOSA-N 1 2 341.455 3.643 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1OC ZINC000275463012 564008939 /nfs/dbraw/zinc/00/89/39/564008939.db2.gz HGWHNIBUXBNRIJ-KRWDZBQOSA-N 1 2 341.455 3.643 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1OC ZINC000275463015 564008943 /nfs/dbraw/zinc/00/89/43/564008943.db2.gz HGWHNIBUXBNRIJ-QGZVFWFLSA-N 1 2 341.455 3.643 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1OC ZINC000275463015 564008944 /nfs/dbraw/zinc/00/89/44/564008944.db2.gz HGWHNIBUXBNRIJ-QGZVFWFLSA-N 1 2 341.455 3.643 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000225499438 564135397 /nfs/dbraw/zinc/13/53/97/564135397.db2.gz IXEPLILFPMCBGO-CABCVRRESA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000225499438 564135398 /nfs/dbraw/zinc/13/53/98/564135398.db2.gz IXEPLILFPMCBGO-CABCVRRESA-N 1 2 340.345 3.618 20 0 EHADLO c1cc(-c2cccc(CNc3cccc[nH+]3)c2)sc1-c1nn[nH]n1 ZINC000738437109 598855100 /nfs/dbraw/zinc/85/51/00/598855100.db2.gz ZFFFHBNIPXFFPU-UHFFFAOYSA-N 1 2 334.408 3.602 20 0 EHADLO c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000823791634 599421049 /nfs/dbraw/zinc/42/10/49/599421049.db2.gz GNZAZWVTQGJYDK-UHFFFAOYSA-N 1 2 347.378 3.542 20 0 EHADLO C[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000736584037 599713721 /nfs/dbraw/zinc/71/37/21/599713721.db2.gz OMAYUXBSCWSUSZ-QGZVFWFLSA-N 1 2 349.434 3.595 20 0 EHADLO C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000736584037 599713724 /nfs/dbraw/zinc/71/37/24/599713724.db2.gz OMAYUXBSCWSUSZ-QGZVFWFLSA-N 1 2 349.434 3.595 20 0 EHADLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789133 600285234 /nfs/dbraw/zinc/28/52/34/600285234.db2.gz KBRBLCYGEFQHNE-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789133 600285236 /nfs/dbraw/zinc/28/52/36/600285236.db2.gz KBRBLCYGEFQHNE-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789133 600285238 /nfs/dbraw/zinc/28/52/38/600285238.db2.gz KBRBLCYGEFQHNE-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000736789133 600285239 /nfs/dbraw/zinc/28/52/39/600285239.db2.gz KBRBLCYGEFQHNE-JKSUJKDBSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@H](Cc1nc(-c2cccnc2Oc2ccccc2)no1)n1cc[nH+]c1 ZINC000904453589 1032057644 /nfs/dbraw/zinc/05/76/44/1032057644.db2.gz FBSBVCDRXINQLI-CQSZACIVSA-N 1 2 347.378 3.924 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000248607394 1032059005 /nfs/dbraw/zinc/05/90/05/1032059005.db2.gz GIXVQLVXPGOQGK-ATLSCFEFSA-N 1 2 348.487 3.504 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000248607394 1032059024 /nfs/dbraw/zinc/05/90/24/1032059024.db2.gz GIXVQLVXPGOQGK-ATLSCFEFSA-N 1 2 348.487 3.504 20 0 EHADLO O=C([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC001595232081 949352663 /nfs/dbraw/zinc/35/26/63/949352663.db2.gz FKFIKZNQMFXVOQ-WOJBJXKFSA-N 1 2 347.418 3.600 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(CCCc4ccccc4)no3)cn2c1 ZINC000904460335 1032063824 /nfs/dbraw/zinc/06/38/24/1032063824.db2.gz SAOFHAFJNBKAQS-UHFFFAOYSA-N 1 2 336.370 3.623 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000449030355 1032067818 /nfs/dbraw/zinc/06/78/18/1032067818.db2.gz RKWBUGYRQRACTI-OAHLLOKOSA-N 1 2 336.407 3.699 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000449030355 1032067833 /nfs/dbraw/zinc/06/78/33/1032067833.db2.gz RKWBUGYRQRACTI-OAHLLOKOSA-N 1 2 336.407 3.699 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449036338 1032076920 /nfs/dbraw/zinc/07/69/20/1032076920.db2.gz SZHYDCRRAKHBSU-HXUWFJFHSA-N 1 2 343.492 3.644 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449036338 1032076937 /nfs/dbraw/zinc/07/69/37/1032076937.db2.gz SZHYDCRRAKHBSU-HXUWFJFHSA-N 1 2 343.492 3.644 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2[nH+]1 ZINC000339274280 1014140590 /nfs/dbraw/zinc/14/05/90/1014140590.db2.gz SSWGHJVYFIGZBH-UHFFFAOYSA-N 1 2 327.409 3.614 20 0 EHADLO C[N@@H+](Cc1ncc(Br)cc1Br)C1CCC1 ZINC000273160656 1027290192 /nfs/dbraw/zinc/29/01/92/1027290192.db2.gz BHUWVJJFALORFB-UHFFFAOYSA-N 1 2 334.055 3.591 20 0 EHADLO C[C@@H](C[N@@H+]1CCn2c(nnc2C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449039251 1032085044 /nfs/dbraw/zinc/08/50/44/1032085044.db2.gz YTXQICLZQDMHOF-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@@H](C[N@H+]1CCn2c(nnc2C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449039251 1032085061 /nfs/dbraw/zinc/08/50/61/1032085061.db2.gz YTXQICLZQDMHOF-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cc(C)on3)cc(=O)oc2c1 ZINC000044590331 1014184790 /nfs/dbraw/zinc/18/47/90/1014184790.db2.gz VLCSWHZXCVTTLB-GOSISDBHSA-N 1 2 338.407 3.989 20 0 EHADLO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3cc(C)on3)cc(=O)oc2c1 ZINC000044590331 1014184794 /nfs/dbraw/zinc/18/47/94/1014184794.db2.gz VLCSWHZXCVTTLB-GOSISDBHSA-N 1 2 338.407 3.989 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2ccnc(OC3CCC3)c2)s1 ZINC000339327294 1014226219 /nfs/dbraw/zinc/22/62/19/1014226219.db2.gz CQKBFBPERWVAGV-UHFFFAOYSA-N 1 2 335.498 3.622 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000579708067 1014239423 /nfs/dbraw/zinc/23/94/23/1014239423.db2.gz LVLMJHLFWGFYAJ-GOSISDBHSA-N 1 2 333.439 3.555 20 0 EHADLO Cc1cccc(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000579708067 1014239430 /nfs/dbraw/zinc/23/94/30/1014239430.db2.gz LVLMJHLFWGFYAJ-GOSISDBHSA-N 1 2 333.439 3.555 20 0 EHADLO COCC[N@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1ccccc1 ZINC000343727145 1032088370 /nfs/dbraw/zinc/08/83/70/1032088370.db2.gz FUIMXMLUIBWNBK-CQSZACIVSA-N 1 2 341.377 3.655 20 0 EHADLO COCC[N@@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1ccccc1 ZINC000343727145 1032088380 /nfs/dbraw/zinc/08/83/80/1032088380.db2.gz FUIMXMLUIBWNBK-CQSZACIVSA-N 1 2 341.377 3.655 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498829 975562449 /nfs/dbraw/zinc/56/24/49/975562449.db2.gz VOZOGUMLPJIZHS-KRWDZBQOSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498829 975562456 /nfs/dbraw/zinc/56/24/56/975562456.db2.gz VOZOGUMLPJIZHS-KRWDZBQOSA-N 1 2 341.455 3.504 20 0 EHADLO Fc1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cnc1Cl ZINC001213146797 1014278732 /nfs/dbraw/zinc/27/87/32/1014278732.db2.gz USFLZFNEZWZZEO-UHFFFAOYSA-N 1 2 341.733 3.777 20 0 EHADLO c1cn(Cc2ccc(NCc3conc3Cc3ccccc3)nc2)c[nH+]1 ZINC000339400432 1014344269 /nfs/dbraw/zinc/34/42/69/1014344269.db2.gz OWBZLMHXEBOYQZ-UHFFFAOYSA-N 1 2 345.406 3.517 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000153550910 1014397903 /nfs/dbraw/zinc/39/79/03/1014397903.db2.gz NFADEDPPHKUXCV-GFCCVEGCSA-N 1 2 336.819 3.791 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000153550910 1014397919 /nfs/dbraw/zinc/39/79/19/1014397919.db2.gz NFADEDPPHKUXCV-GFCCVEGCSA-N 1 2 336.819 3.791 20 0 EHADLO CCc1noc(C)c1C[NH2+]Cc1c(F)cccc1Br ZINC000339435498 1014435483 /nfs/dbraw/zinc/43/54/83/1014435483.db2.gz BDYSGJAAUWCXQI-UHFFFAOYSA-N 1 2 327.197 3.737 20 0 EHADLO C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001592445073 978108400 /nfs/dbraw/zinc/10/84/00/978108400.db2.gz JCEIRGMNKABMSD-MJGOQNOKSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001592445073 978108402 /nfs/dbraw/zinc/10/84/02/978108402.db2.gz JCEIRGMNKABMSD-MJGOQNOKSA-N 1 2 346.515 3.910 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccnc1 ZINC000339481515 1014562598 /nfs/dbraw/zinc/56/25/98/1014562598.db2.gz OGFOCMJOWXSVCQ-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO CC[C@H]1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497464 1032095443 /nfs/dbraw/zinc/09/54/43/1032095443.db2.gz KXJKTXUYYQNKNW-FUHWJXTLSA-N 1 2 341.455 3.863 20 0 EHADLO Cc1ncc(C[NH2+]Cc2c(F)cc(F)cc2F)n1-c1ccccc1 ZINC000339523599 1014693487 /nfs/dbraw/zinc/69/34/87/1014693487.db2.gz OGCLTQJVWBOLHH-UHFFFAOYSA-N 1 2 331.341 3.888 20 0 EHADLO Cc1[nH+]cc(CNCc2c(F)cc(F)cc2F)n1-c1ccccc1 ZINC000339523599 1014693493 /nfs/dbraw/zinc/69/34/93/1014693493.db2.gz OGCLTQJVWBOLHH-UHFFFAOYSA-N 1 2 331.341 3.888 20 0 EHADLO CCC(CC)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440769514 1014709905 /nfs/dbraw/zinc/70/99/05/1014709905.db2.gz DIERATYFUNPIRD-IBGZPJMESA-N 1 2 342.487 3.977 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Br)cc(F)c1O ZINC000187842308 1014718174 /nfs/dbraw/zinc/71/81/74/1014718174.db2.gz OOCCPDTVTWQMOX-KOLCDFICSA-N 1 2 346.240 3.902 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3ncccc3Cl)CC2)cc1 ZINC000528342817 1032104546 /nfs/dbraw/zinc/10/45/46/1032104546.db2.gz UDKYLMSDGNDAMA-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO O=C(Nc1ccc2oc3ccccc3c2c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547671011 1014948951 /nfs/dbraw/zinc/94/89/51/1014948951.db2.gz NLOKOKDIZDLUMY-CQSZACIVSA-N 1 2 346.390 3.919 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000620158839 1125488512 /nfs/dbraw/zinc/48/85/12/1125488512.db2.gz UWCFRMSHRICQKZ-OLZOCXBDSA-N 1 2 339.357 3.537 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000620158839 1125488514 /nfs/dbraw/zinc/48/85/14/1125488514.db2.gz UWCFRMSHRICQKZ-OLZOCXBDSA-N 1 2 339.357 3.537 20 0 EHADLO Cc1cc(CNC(=O)NCCc2ccc(OC(C)C)cc2)cc(C)[nH+]1 ZINC000579820858 1015000739 /nfs/dbraw/zinc/00/07/39/1015000739.db2.gz XKHDFXBHCIAZGQ-UHFFFAOYSA-N 1 2 341.455 3.528 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@@H]3F)cs2)cc1 ZINC000339587279 1015084696 /nfs/dbraw/zinc/08/46/96/1015084696.db2.gz OYQYYPLNBJLJGN-JKSUJKDBSA-N 1 2 336.432 3.711 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127805322 1015132332 /nfs/dbraw/zinc/13/23/32/1015132332.db2.gz PUADRGMAMCJFKF-CJNGLKHVSA-N 1 2 332.835 3.960 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1-c1ccccc1 ZINC001625803857 1015156779 /nfs/dbraw/zinc/15/67/79/1015156779.db2.gz FVYPBHCTJWAKKI-RTBURBONSA-N 1 2 331.419 3.805 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1-c1ccccc1 ZINC001625803857 1015156782 /nfs/dbraw/zinc/15/67/82/1015156782.db2.gz FVYPBHCTJWAKKI-RTBURBONSA-N 1 2 331.419 3.805 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000274800203 1015231930 /nfs/dbraw/zinc/23/19/30/1015231930.db2.gz QTNGCGHIERYASL-SJORKVTESA-N 1 2 345.487 3.734 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)nc1 ZINC000430248773 1015288794 /nfs/dbraw/zinc/28/87/94/1015288794.db2.gz GOFKYMHJGFAXAU-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)nc1 ZINC000430248773 1015288809 /nfs/dbraw/zinc/28/88/09/1015288809.db2.gz GOFKYMHJGFAXAU-UHFFFAOYSA-N 1 2 340.858 3.979 20 0 EHADLO CC[C@H]1c2ccccc2CN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000890617000 1015291236 /nfs/dbraw/zinc/29/12/36/1015291236.db2.gz ZXPZBOYYNXSAKL-NRFANRHFSA-N 1 2 345.446 3.967 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(F)c1 ZINC000655360563 1015410427 /nfs/dbraw/zinc/41/04/27/1015410427.db2.gz JWTAFCIFGJLFPL-AWEZNQCLSA-N 1 2 345.418 3.648 20 0 EHADLO COc1ccc(OC)c(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000274829354 1015448752 /nfs/dbraw/zinc/44/87/52/1015448752.db2.gz UBJODVIVNLKFNO-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO COC(=O)c1ccoc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000073431427 1015456994 /nfs/dbraw/zinc/45/69/94/1015456994.db2.gz BLZMXFCMIQVCMV-UHFFFAOYSA-N 1 2 342.439 3.689 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000073431427 1015457001 /nfs/dbraw/zinc/45/70/01/1015457001.db2.gz BLZMXFCMIQVCMV-UHFFFAOYSA-N 1 2 342.439 3.689 20 0 EHADLO COCC[C@H]([NH2+]Cc1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000285042326 1015557941 /nfs/dbraw/zinc/55/79/41/1015557941.db2.gz KYHXVBFMAURPNJ-ZDUSSCGKSA-N 1 2 332.256 3.712 20 0 EHADLO C[C@@H](c1cccs1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000339742803 1015643982 /nfs/dbraw/zinc/64/39/82/1015643982.db2.gz JYMPUUTWRFPBHQ-AWEZNQCLSA-N 1 2 325.437 3.826 20 0 EHADLO O=C(C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)C(F)(F)F ZINC000274956379 1015676021 /nfs/dbraw/zinc/67/60/21/1015676021.db2.gz HVCHRORPFSYESH-UHFFFAOYSA-N 1 2 338.329 3.685 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000154657922 1015720365 /nfs/dbraw/zinc/72/03/65/1015720365.db2.gz VJLAERAXUHSCPW-UHFFFAOYSA-N 1 2 325.412 3.538 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000154657922 1015720372 /nfs/dbraw/zinc/72/03/72/1015720372.db2.gz VJLAERAXUHSCPW-UHFFFAOYSA-N 1 2 325.412 3.538 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000339844261 1015736737 /nfs/dbraw/zinc/73/67/37/1015736737.db2.gz XPZZLFDAIOXGCE-GOSISDBHSA-N 1 2 340.423 3.507 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)C(F)(F)F ZINC000547739006 1015739577 /nfs/dbraw/zinc/73/95/77/1015739577.db2.gz MNNCDYSVFMWDCI-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[nH]1 ZINC000339850320 1015750216 /nfs/dbraw/zinc/75/02/16/1015750216.db2.gz PYFSAXXTXORRKU-UHFFFAOYSA-N 1 2 332.407 3.799 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000183120776 1032133642 /nfs/dbraw/zinc/13/36/42/1032133642.db2.gz AZZOFPOLQFRYHT-KRWDZBQOSA-N 1 2 333.435 3.676 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1Br ZINC000339927425 1015959750 /nfs/dbraw/zinc/95/97/50/1015959750.db2.gz XOEZELCRQKSHKI-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)CCc2ccccc2F)c1C ZINC000079835826 1015998781 /nfs/dbraw/zinc/99/87/81/1015998781.db2.gz HMBVFTXVSPUQOO-ZDUSSCGKSA-N 1 2 344.430 3.731 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(F)c1 ZINC000547767625 1016041080 /nfs/dbraw/zinc/04/10/80/1016041080.db2.gz AFXTUHZTUXIQKJ-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(F)c1 ZINC000547767625 1016041088 /nfs/dbraw/zinc/04/10/88/1016041088.db2.gz AFXTUHZTUXIQKJ-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(F)c1 ZINC000547767627 1016044482 /nfs/dbraw/zinc/04/44/82/1016044482.db2.gz AFXTUHZTUXIQKJ-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(F)c1 ZINC000547767627 1016044491 /nfs/dbraw/zinc/04/44/91/1016044491.db2.gz AFXTUHZTUXIQKJ-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO CCc1ccc(-c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)o2)cc1 ZINC000155012455 1016054077 /nfs/dbraw/zinc/05/40/77/1016054077.db2.gz ANHPQMIJMXSPKH-UHFFFAOYSA-N 1 2 337.423 3.868 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CSc2ccccc21 ZINC000118213915 1032139020 /nfs/dbraw/zinc/13/90/20/1032139020.db2.gz BDJGPIBPPCWWFI-CQSZACIVSA-N 1 2 339.395 3.839 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001204439590 1016184613 /nfs/dbraw/zinc/18/46/13/1016184613.db2.gz ZQPHQGHYJCZQTC-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001204439590 1016184621 /nfs/dbraw/zinc/18/46/21/1016184621.db2.gz ZQPHQGHYJCZQTC-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccc(C4CC4)cc3)[nH+]c12 ZINC000584339775 1032144400 /nfs/dbraw/zinc/14/44/00/1032144400.db2.gz SWBWCFFRZYNAGY-HNNXBMFYSA-N 1 2 333.435 3.940 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CCC(F)(F)CC1 ZINC000155171581 1016251366 /nfs/dbraw/zinc/25/13/66/1016251366.db2.gz BOMNSAJANHLTPR-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2ccc(F)cc2F)no1)c1ccccc1 ZINC000579888604 1016382417 /nfs/dbraw/zinc/38/24/17/1016382417.db2.gz FPVLCLPFYKXXOF-QGZVFWFLSA-N 1 2 329.350 3.590 20 0 EHADLO Cc1cc(Cl)ncc1C[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001209627896 1016442755 /nfs/dbraw/zinc/44/27/55/1016442755.db2.gz KBAUSQQHBDTBIT-CYBMUJFWSA-N 1 2 326.824 3.569 20 0 EHADLO Cc1cc(Cl)ncc1C[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001209627896 1016442776 /nfs/dbraw/zinc/44/27/76/1016442776.db2.gz KBAUSQQHBDTBIT-CYBMUJFWSA-N 1 2 326.824 3.569 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1nc2c(s1)CCCC2 ZINC000605593911 1016567836 /nfs/dbraw/zinc/56/78/36/1016567836.db2.gz POZLWAXDOSKSQT-GFCCVEGCSA-N 1 2 326.469 3.759 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCSc2ccccc2)c2nnc[nH]2)cc1 ZINC000340181385 1016620369 /nfs/dbraw/zinc/62/03/69/1016620369.db2.gz LCPKBCFOSISNKI-KRWDZBQOSA-N 1 2 342.443 3.805 20 0 EHADLO c1ccc(CSc2cc[nH+]c(N3CC[C@H]4OCC[C@@H]4C3)c2)cc1 ZINC001167219412 1016625922 /nfs/dbraw/zinc/62/59/22/1016625922.db2.gz XZYHDJLXUGPBRI-SJLPKXTDSA-N 1 2 326.465 3.989 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)on1 ZINC000932567717 1016632433 /nfs/dbraw/zinc/63/24/33/1016632433.db2.gz SZCKYVMBGDPQSA-SSDOTTSWSA-N 1 2 347.173 3.758 20 0 EHADLO CCOC(=O)C(C)(C)CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000376597809 1016754743 /nfs/dbraw/zinc/75/47/43/1016754743.db2.gz NWCVMIXHANMXRO-UHFFFAOYSA-N 1 2 343.427 3.611 20 0 EHADLO COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc2ccccc21 ZINC000890794282 1016883005 /nfs/dbraw/zinc/88/30/05/1016883005.db2.gz QSSDPLNUCVBTSW-MORSLUCNSA-N 1 2 349.434 3.563 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000188114276 1017024398 /nfs/dbraw/zinc/02/43/98/1017024398.db2.gz QBCIGDJTOYJNDW-OAQYLSRUSA-N 1 2 347.462 3.843 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1c(F)cccc1F ZINC000538126500 1032167209 /nfs/dbraw/zinc/16/72/09/1032167209.db2.gz XAOLRHSFGUGGFG-ZIAGYGMSSA-N 1 2 344.405 3.983 20 0 EHADLO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000183428442 1032171038 /nfs/dbraw/zinc/17/10/38/1032171038.db2.gz OQUHZNIPKNRVGX-UHFFFAOYSA-N 1 2 347.378 3.536 20 0 EHADLO CCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153907907 1032183288 /nfs/dbraw/zinc/18/32/88/1032183288.db2.gz MWTHULVTLBKYSJ-MSOLQXFVSA-N 1 2 338.455 3.601 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000528369353 1032198839 /nfs/dbraw/zinc/19/88/39/1032198839.db2.gz ZXTPNHJEJANJOO-IRXDYDNUSA-N 1 2 347.434 3.727 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000528369353 1032198851 /nfs/dbraw/zinc/19/88/51/1032198851.db2.gz ZXTPNHJEJANJOO-IRXDYDNUSA-N 1 2 347.434 3.727 20 0 EHADLO CCCn1c(=S)n(C[N@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176829142 1032225707 /nfs/dbraw/zinc/22/57/07/1032225707.db2.gz UUCMSJCEROVHLG-CQSZACIVSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@@H+](C)[C@H](C)C2(C)CC2)nc1-c1ccncc1 ZINC000176829142 1032225717 /nfs/dbraw/zinc/22/57/17/1032225717.db2.gz UUCMSJCEROVHLG-CQSZACIVSA-N 1 2 345.516 3.964 20 0 EHADLO Fc1ccc(OCC2CCOCC2)c(-c2cccc3[nH+]ccn32)c1 ZINC000904744847 1032228070 /nfs/dbraw/zinc/22/80/70/1032228070.db2.gz FRQPSIPBXQNXRK-UHFFFAOYSA-N 1 2 326.371 3.946 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329776909 1032238940 /nfs/dbraw/zinc/23/89/40/1032238940.db2.gz KGFOEQGEGBSCBM-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329776909 1032238953 /nfs/dbraw/zinc/23/89/53/1032238953.db2.gz KGFOEQGEGBSCBM-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO OC[C@H]([NH2+]Cc1c(F)cccc1F)c1cccc(Br)c1 ZINC000183910193 1032240269 /nfs/dbraw/zinc/24/02/69/1032240269.db2.gz RVEWLKKKMOVNNK-HNNXBMFYSA-N 1 2 342.183 3.551 20 0 EHADLO COCc1cc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)no1 ZINC000459526392 1032245416 /nfs/dbraw/zinc/24/54/16/1032245416.db2.gz XZSKCNXCHSRRLM-UHFFFAOYSA-N 1 2 341.411 3.650 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000904807895 1032246450 /nfs/dbraw/zinc/24/64/50/1032246450.db2.gz FQBXWBQLNGJYRP-UHFFFAOYSA-N 1 2 334.345 3.974 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528407419 1032246713 /nfs/dbraw/zinc/24/67/13/1032246713.db2.gz PTLPTUVWKCLAHP-KRWDZBQOSA-N 1 2 347.821 3.958 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528407419 1032246726 /nfs/dbraw/zinc/24/67/26/1032246726.db2.gz PTLPTUVWKCLAHP-KRWDZBQOSA-N 1 2 347.821 3.958 20 0 EHADLO O=C1[C@H]([NH+]2CCC(C(F)F)CC2)CCN1c1ccc(Cl)cc1F ZINC000528409669 1032249752 /nfs/dbraw/zinc/24/97/52/1032249752.db2.gz XNMDNUJFHNNBCA-CQSZACIVSA-N 1 2 346.780 3.562 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000459534466 1032253335 /nfs/dbraw/zinc/25/33/35/1032253335.db2.gz QFIAQCMGGQAXTB-QGZVFWFLSA-N 1 2 329.444 3.577 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000538275005 1032263272 /nfs/dbraw/zinc/26/32/72/1032263272.db2.gz PTGMSSHNUYJBPH-YSGRDPCXSA-N 1 2 345.462 3.834 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@H](C)c2ccco2)c1)[NH+]1CCOCC1 ZINC000528425017 1032278883 /nfs/dbraw/zinc/27/88/83/1032278883.db2.gz SRKWQGGFLDJDIC-JKSUJKDBSA-N 1 2 342.439 3.805 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)c(F)c1 ZINC000528426061 1032280423 /nfs/dbraw/zinc/28/04/23/1032280423.db2.gz PHRCJUGMWOBMLN-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)c(F)c1 ZINC000528426061 1032280432 /nfs/dbraw/zinc/28/04/32/1032280432.db2.gz PHRCJUGMWOBMLN-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO COc1nccnc1C[NH2+]Cc1ccc(C)cc1O[C@H](C)CC(C)C ZINC000449192057 1032287507 /nfs/dbraw/zinc/28/75/07/1032287507.db2.gz QGDTUWQRYOYXJS-MRXNPFEDSA-N 1 2 343.471 3.897 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(N(C)C)[nH+]1 ZINC000162186573 1032292138 /nfs/dbraw/zinc/29/21/38/1032292138.db2.gz SIEDDDUZIRHDEE-ZDUSSCGKSA-N 1 2 330.407 3.820 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cccc(F)c2F)c2ccc(F)cc2)cn1 ZINC000184605455 1032308992 /nfs/dbraw/zinc/30/89/92/1032308992.db2.gz VBRXTCGCNIGFEZ-GOSISDBHSA-N 1 2 331.341 3.717 20 0 EHADLO Cc1nn(C)c(C[NH+]2CC(C3CCCCC3)C2)c1Br ZINC000459594181 1032314203 /nfs/dbraw/zinc/31/42/03/1032314203.db2.gz PQWLGDQVZHOGAI-UHFFFAOYSA-N 1 2 326.282 3.503 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)ccc1O ZINC000459599103 1032321658 /nfs/dbraw/zinc/32/16/58/1032321658.db2.gz ZTDWJSSEOKCTPR-UHFFFAOYSA-N 1 2 337.423 3.813 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)ccc1O ZINC000459599103 1032321678 /nfs/dbraw/zinc/32/16/78/1032321678.db2.gz ZTDWJSSEOKCTPR-UHFFFAOYSA-N 1 2 337.423 3.813 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ncc(-c2ccccc2)o1 ZINC000184882556 1032327878 /nfs/dbraw/zinc/32/78/78/1032327878.db2.gz XTZXKKLZCJMCIU-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C(C)C)s1)CCCO2 ZINC000536851530 1032347241 /nfs/dbraw/zinc/34/72/41/1032347241.db2.gz JSONPRTVZRTICL-CQSZACIVSA-N 1 2 333.457 3.674 20 0 EHADLO CCn1c(C[NH2+][C@H](C)c2nc3c(s2)CCC3)nc2cc(F)ccc21 ZINC000459633547 1032350579 /nfs/dbraw/zinc/35/05/79/1032350579.db2.gz PCSJQBLMBISIED-LLVKDONJSA-N 1 2 344.459 3.991 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)sc1Cl ZINC000538409791 1032353645 /nfs/dbraw/zinc/35/36/45/1032353645.db2.gz WJTWQXNSDWDDJD-MRVPVSSYSA-N 1 2 331.272 3.762 20 0 EHADLO CSc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nc1 ZINC000081755859 1032362621 /nfs/dbraw/zinc/36/26/21/1032362621.db2.gz DKPGABPYSSBVHC-INIZCTEOSA-N 1 2 345.443 3.546 20 0 EHADLO CSc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)nc1 ZINC000081755859 1032362627 /nfs/dbraw/zinc/36/26/27/1032362627.db2.gz DKPGABPYSSBVHC-INIZCTEOSA-N 1 2 345.443 3.546 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000449259136 1032368789 /nfs/dbraw/zinc/36/87/89/1032368789.db2.gz SEKAAXLZSGOTAW-OAHLLOKOSA-N 1 2 336.407 3.699 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000449259136 1032368793 /nfs/dbraw/zinc/36/87/93/1032368793.db2.gz SEKAAXLZSGOTAW-OAHLLOKOSA-N 1 2 336.407 3.699 20 0 EHADLO COCC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000449245446 1032381109 /nfs/dbraw/zinc/38/11/09/1032381109.db2.gz AXEBXHIIFKQJJY-ACBHZAAOSA-N 1 2 347.499 3.734 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528490952 1032383300 /nfs/dbraw/zinc/38/33/00/1032383300.db2.gz YMUCNJPAMQEWJE-QGZVFWFLSA-N 1 2 339.432 3.651 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528490952 1032383311 /nfs/dbraw/zinc/38/33/11/1032383311.db2.gz YMUCNJPAMQEWJE-QGZVFWFLSA-N 1 2 339.432 3.651 20 0 EHADLO CCO[C@H](C)c1nc(C[NH+]2CCC(O)(c3ccccc3)CC2)cs1 ZINC000185470372 1032398760 /nfs/dbraw/zinc/39/87/60/1032398760.db2.gz RPHOYSVMSPPFRS-OAHLLOKOSA-N 1 2 346.496 3.724 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c2ccccc21 ZINC000343781748 1032414619 /nfs/dbraw/zinc/41/46/19/1032414619.db2.gz BHKRLKBKKOYWOS-LIRRHRJNSA-N 1 2 336.414 3.804 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278760416 1032433428 /nfs/dbraw/zinc/43/34/28/1032433428.db2.gz MPOCNTCOBMOCJS-ZJUUUORDSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278760416 1032433432 /nfs/dbraw/zinc/43/34/32/1032433432.db2.gz MPOCNTCOBMOCJS-ZJUUUORDSA-N 1 2 336.304 3.566 20 0 EHADLO COc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1SC ZINC000459764861 1032468779 /nfs/dbraw/zinc/46/87/79/1032468779.db2.gz LLSQYRXSWAOCQX-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1CCc2ccccc2CC1 ZINC000528585591 1032467051 /nfs/dbraw/zinc/46/70/51/1032467051.db2.gz MIEWXSMSPVICLR-UHFFFAOYSA-N 1 2 345.446 3.684 20 0 EHADLO CCCc1cc(NCC2(c3ccccc3)COC2)nc(CCC)[nH+]1 ZINC001167290173 1017289012 /nfs/dbraw/zinc/28/90/12/1017289012.db2.gz LASJEWHZPYKECN-UHFFFAOYSA-N 1 2 325.456 3.762 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cnc(CCc3ccccc3)s2)s1 ZINC000449336606 1032470832 /nfs/dbraw/zinc/47/08/32/1032470832.db2.gz NURIZGOWQDRFJN-UHFFFAOYSA-N 1 2 344.509 3.632 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459795827 1032478312 /nfs/dbraw/zinc/47/83/12/1032478312.db2.gz QUNATBKHKJQDSI-RRFJBIMHSA-N 1 2 328.460 3.611 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000537046843 1032502415 /nfs/dbraw/zinc/50/24/15/1032502415.db2.gz MKCQTAKLTJBNCY-RDTXWAMCSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](c3ccccc3C)C2)o1 ZINC000537046843 1032502421 /nfs/dbraw/zinc/50/24/21/1032502421.db2.gz MKCQTAKLTJBNCY-RDTXWAMCSA-N 1 2 329.396 3.509 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000088631408 1032507556 /nfs/dbraw/zinc/50/75/56/1032507556.db2.gz JIGGYZQDILVQIY-INIZCTEOSA-N 1 2 332.492 3.905 20 0 EHADLO Cc1nc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)sc1Br ZINC000449401000 1032524210 /nfs/dbraw/zinc/52/42/10/1032524210.db2.gz KUDDFUQTTNRFBD-UHFFFAOYSA-N 1 2 343.294 3.524 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000449404528 1032527070 /nfs/dbraw/zinc/52/70/70/1032527070.db2.gz CUUMRTYMUGDSRD-UHFFFAOYSA-N 1 2 330.741 3.644 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccsc2Cl)C[C@H]1c1ccccc1 ZINC000449423428 1032536661 /nfs/dbraw/zinc/53/66/61/1032536661.db2.gz OENAQZFYWHDRRU-GOEBONIOSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccsc2Cl)C[C@H]1c1ccccc1 ZINC000449423428 1032536666 /nfs/dbraw/zinc/53/66/66/1032536666.db2.gz OENAQZFYWHDRRU-GOEBONIOSA-N 1 2 325.836 3.702 20 0 EHADLO CC(C)c1cc(NCc2ccc(S(C)(=O)=O)cc2)nc(C(C)C)[nH+]1 ZINC000090071091 1032557923 /nfs/dbraw/zinc/55/79/23/1032557923.db2.gz MUKYUMWIEBZUIA-UHFFFAOYSA-N 1 2 347.484 3.739 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453928 1032571393 /nfs/dbraw/zinc/57/13/93/1032571393.db2.gz YFCZOWGCZBOJST-IJLUTSLNSA-N 1 2 334.407 3.677 20 0 EHADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ncc(C(F)(F)F)s1 ZINC000449453928 1032571397 /nfs/dbraw/zinc/57/13/97/1032571397.db2.gz YFCZOWGCZBOJST-IJLUTSLNSA-N 1 2 334.407 3.677 20 0 EHADLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC ZINC000060628267 1032594443 /nfs/dbraw/zinc/59/44/43/1032594443.db2.gz HOQCPBYCVWYGJY-IBGZPJMESA-N 1 2 349.434 3.821 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000091084767 1032607016 /nfs/dbraw/zinc/60/70/16/1032607016.db2.gz NKFWLOXCNFXHGA-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000091084767 1032607024 /nfs/dbraw/zinc/60/70/24/1032607024.db2.gz NKFWLOXCNFXHGA-UHFFFAOYSA-N 1 2 337.439 3.583 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)nn1 ZINC000449462970 1032612740 /nfs/dbraw/zinc/61/27/40/1032612740.db2.gz VBTRMVQRQMLRDO-KBPBESRZSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)nn1 ZINC000449462970 1032612747 /nfs/dbraw/zinc/61/27/47/1032612747.db2.gz VBTRMVQRQMLRDO-KBPBESRZSA-N 1 2 338.377 3.739 20 0 EHADLO CSCc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602096445 1032639626 /nfs/dbraw/zinc/63/96/26/1032639626.db2.gz PHALDSIPTAXEOJ-CYBMUJFWSA-N 1 2 343.374 3.878 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161546 1032646153 /nfs/dbraw/zinc/64/61/53/1032646153.db2.gz PDXJZMYCMQZXMA-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161546 1032646163 /nfs/dbraw/zinc/64/61/63/1032646163.db2.gz PDXJZMYCMQZXMA-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000460182812 1032654313 /nfs/dbraw/zinc/65/43/13/1032654313.db2.gz CJQQHYYSAYQBRH-IAGOWNOFSA-N 1 2 332.492 3.836 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602107445 1032656502 /nfs/dbraw/zinc/65/65/02/1032656502.db2.gz QYABXOXVPBQEIO-XQQFMLRXSA-N 1 2 349.422 3.509 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)c(C)s3)CC2)s1 ZINC000606395190 1032671232 /nfs/dbraw/zinc/67/12/32/1032671232.db2.gz PGCJOWQOAMOGBP-UHFFFAOYSA-N 1 2 348.537 3.947 20 0 EHADLO O[C@@H]1CC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)C[C@@H]2C1 ZINC000413548511 1032676327 /nfs/dbraw/zinc/67/63/27/1032676327.db2.gz FSRJTVUKJIKVDQ-FRRDWIJNSA-N 1 2 347.256 3.595 20 0 EHADLO CSCc1ccc(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000602151389 1032683674 /nfs/dbraw/zinc/68/36/74/1032683674.db2.gz FGDGKEQMTQSODY-QGZVFWFLSA-N 1 2 331.485 3.650 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638472 1017223809 /nfs/dbraw/zinc/22/38/09/1017223809.db2.gz FWIHVSYRCGMGPJ-SJORKVTESA-N 1 2 336.838 3.841 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2=CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638472 1017223816 /nfs/dbraw/zinc/22/38/16/1017223816.db2.gz FWIHVSYRCGMGPJ-SJORKVTESA-N 1 2 336.838 3.841 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683481223 1017223969 /nfs/dbraw/zinc/22/39/69/1017223969.db2.gz ZFAQLJOPQSDMEC-FUHWJXTLSA-N 1 2 349.434 3.667 20 0 EHADLO CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCOCC1 ZINC000683455265 1017225381 /nfs/dbraw/zinc/22/53/81/1017225381.db2.gz SNKLZJOWQREYCA-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000188738901 1017268064 /nfs/dbraw/zinc/26/80/64/1017268064.db2.gz AMAVXEAPMBUWPM-CQSZACIVSA-N 1 2 325.412 3.709 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(F)cc1Br ZINC000639136753 1017269018 /nfs/dbraw/zinc/26/90/18/1017269018.db2.gz QCCGMSXADCSPQI-CMPLNLGQSA-N 1 2 346.240 3.596 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(F)cc1Br ZINC000639136753 1017269029 /nfs/dbraw/zinc/26/90/29/1017269029.db2.gz QCCGMSXADCSPQI-CMPLNLGQSA-N 1 2 346.240 3.596 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1nccs1 ZINC000683548636 1017316122 /nfs/dbraw/zinc/31/61/22/1017316122.db2.gz QQZZOBNUGNYERX-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1nccs1 ZINC000683548636 1017316135 /nfs/dbraw/zinc/31/61/35/1017316135.db2.gz QQZZOBNUGNYERX-OAHLLOKOSA-N 1 2 349.887 3.581 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2Cl)CCN1 ZINC000188928376 1017343389 /nfs/dbraw/zinc/34/33/89/1017343389.db2.gz BQPWKWQHCXHCCR-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2Cl)CCN1 ZINC000188928376 1017343400 /nfs/dbraw/zinc/34/34/00/1017343400.db2.gz BQPWKWQHCXHCCR-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528729823 1032696897 /nfs/dbraw/zinc/69/68/97/1032696897.db2.gz DWRURGMTNKMQRX-FQEVSTJZSA-N 1 2 341.455 3.628 20 0 EHADLO CC(C)Cc1noc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528729823 1032696906 /nfs/dbraw/zinc/69/69/06/1032696906.db2.gz DWRURGMTNKMQRX-FQEVSTJZSA-N 1 2 341.455 3.628 20 0 EHADLO c1cn(C2CC2)c(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)n1 ZINC000892778301 1017405768 /nfs/dbraw/zinc/40/57/68/1017405768.db2.gz JOUSCOAIFQGSBR-UHFFFAOYSA-N 1 2 326.444 3.614 20 0 EHADLO CCc1cc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(CC)[nH+]1 ZINC000892779906 1017411393 /nfs/dbraw/zinc/41/13/93/1017411393.db2.gz WWPMRXHHZBFTPK-ZAMGYDSWSA-N 1 2 331.485 3.536 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655700621 1017417621 /nfs/dbraw/zinc/41/76/21/1017417621.db2.gz JRPBCTIIWHLXRO-CYBMUJFWSA-N 1 2 340.652 3.924 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000340407566 1017457955 /nfs/dbraw/zinc/45/79/55/1017457955.db2.gz FOEUPHJDOXMGJN-UHFFFAOYSA-N 1 2 339.464 3.826 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000340407566 1017457963 /nfs/dbraw/zinc/45/79/63/1017457963.db2.gz FOEUPHJDOXMGJN-UHFFFAOYSA-N 1 2 339.464 3.826 20 0 EHADLO COC[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655723947 1017458915 /nfs/dbraw/zinc/45/89/15/1017458915.db2.gz JPRWXCPTJAVLCF-LSDHHAIUSA-N 1 2 339.361 3.714 20 0 EHADLO Cc1cccc(Oc2ncccc2NC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC000056484130 1017521562 /nfs/dbraw/zinc/52/15/62/1017521562.db2.gz FFQPJUWDFUZMEO-OAHLLOKOSA-N 1 2 336.395 3.887 20 0 EHADLO CC[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000377261097 1017544820 /nfs/dbraw/zinc/54/48/20/1017544820.db2.gz HHKZZLXMWBGWEP-GOSISDBHSA-N 1 2 340.471 3.821 20 0 EHADLO Cc1cc(N2CCC(OC[C@H]3CCCCO3)CC2)nc(C2CCC2)[nH+]1 ZINC000892846598 1017576829 /nfs/dbraw/zinc/57/68/29/1017576829.db2.gz UZJCPCXSBAQBAC-GOSISDBHSA-N 1 2 345.487 3.607 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000547953353 1017583009 /nfs/dbraw/zinc/58/30/09/1017583009.db2.gz OYALYBVWVKYKIJ-RDJZCZTQSA-N 1 2 346.862 3.548 20 0 EHADLO C[C@@]1(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000574152347 1032711422 /nfs/dbraw/zinc/71/14/22/1032711422.db2.gz SINNBAHGQLAJRN-SXLOBPIMSA-N 1 2 336.414 3.817 20 0 EHADLO C[C@@]1(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000574152347 1032711430 /nfs/dbraw/zinc/71/14/30/1032711430.db2.gz SINNBAHGQLAJRN-SXLOBPIMSA-N 1 2 336.414 3.817 20 0 EHADLO Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000020544210 1017626113 /nfs/dbraw/zinc/62/61/13/1017626113.db2.gz WSIUHDSBQNGSSV-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO CC1(c2ccccc2)CCC([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)CC1 ZINC000655795026 1017627290 /nfs/dbraw/zinc/62/72/90/1017627290.db2.gz VGJFOORYKVYUES-OHTSDLOESA-N 1 2 340.471 3.646 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000177364843 1017647754 /nfs/dbraw/zinc/64/77/54/1017647754.db2.gz ZIPQRAUVICHVGF-GDBMZVCRSA-N 1 2 338.411 3.565 20 0 EHADLO C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCC1 ZINC000574155246 1032714241 /nfs/dbraw/zinc/71/42/41/1032714241.db2.gz UCEADBOOXCHGKM-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000377381560 1017722259 /nfs/dbraw/zinc/72/22/59/1017722259.db2.gz IWVUNMOAHYKEDY-RTHLEPHNSA-N 1 2 326.165 3.793 20 0 EHADLO CCOc1cccc(/C=C\C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001266515912 1017736331 /nfs/dbraw/zinc/73/63/31/1017736331.db2.gz MMNAGLAJTLEAQC-BENRWUELSA-N 1 2 325.412 3.507 20 0 EHADLO COc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1Br ZINC000150913291 1017741677 /nfs/dbraw/zinc/74/16/77/1017741677.db2.gz CCMSZCSFFBZASR-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO COC(=O)c1cccc(C(F)(F)F)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210289858 1017754656 /nfs/dbraw/zinc/75/46/56/1017754656.db2.gz ZPCKFUISOOWTTQ-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)CC2 ZINC000340431269 1017774897 /nfs/dbraw/zinc/77/48/97/1017774897.db2.gz HQVPLHIVXMVVOK-BMIGLBTASA-N 1 2 348.244 3.586 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1OCC(F)(F)F ZINC000579967401 1017834849 /nfs/dbraw/zinc/83/48/49/1017834849.db2.gz HZDHOVOXVDKAAI-CYBMUJFWSA-N 1 2 335.341 3.960 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1OCC(F)(F)F ZINC000579967401 1017834867 /nfs/dbraw/zinc/83/48/67/1017834867.db2.gz HZDHOVOXVDKAAI-CYBMUJFWSA-N 1 2 335.341 3.960 20 0 EHADLO Fc1cccc(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)c1 ZINC000377549374 1017969220 /nfs/dbraw/zinc/96/92/20/1017969220.db2.gz KUPNFFHXHKNBRG-UHFFFAOYSA-N 1 2 348.443 3.707 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)[C@H]1c1cccc(F)c1 ZINC000377547244 1017970851 /nfs/dbraw/zinc/97/08/51/1017970851.db2.gz BTQWWCOUFQWKIV-YVEFUNNKSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)[C@H]1c1cccc(F)c1 ZINC000377547244 1017970858 /nfs/dbraw/zinc/97/08/58/1017970858.db2.gz BTQWWCOUFQWKIV-YVEFUNNKSA-N 1 2 348.443 3.911 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613675404 1018008920 /nfs/dbraw/zinc/00/89/20/1018008920.db2.gz JVWNJAVMDGAFSP-SJORKVTESA-N 1 2 345.874 3.797 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)no1 ZINC000659849357 1018033299 /nfs/dbraw/zinc/03/32/99/1018033299.db2.gz PWOQMOGEZNVIKE-HNNXBMFYSA-N 1 2 328.441 3.757 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2CCc2nsc3ccccc32)no1 ZINC000659849357 1018033303 /nfs/dbraw/zinc/03/33/03/1018033303.db2.gz PWOQMOGEZNVIKE-HNNXBMFYSA-N 1 2 328.441 3.757 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@H+](Cc3ncco3)C2)c(Cl)c1 ZINC001141008846 1018107612 /nfs/dbraw/zinc/10/76/12/1018107612.db2.gz NTJAZXLCUAXYTG-ZDUSSCGKSA-N 1 2 327.211 3.773 20 0 EHADLO Clc1ccc(CO[C@H]2CC[N@@H+](Cc3ncco3)C2)c(Cl)c1 ZINC001141008846 1018107619 /nfs/dbraw/zinc/10/76/19/1018107619.db2.gz NTJAZXLCUAXYTG-ZDUSSCGKSA-N 1 2 327.211 3.773 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccnc(OC5CCC5)c4)no3)ccn12 ZINC000655990286 1018127963 /nfs/dbraw/zinc/12/79/63/1018127963.db2.gz KHBGWYFJWOLGOH-UHFFFAOYSA-N 1 2 347.378 3.686 20 0 EHADLO O=C(NCc1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047464052 1018173875 /nfs/dbraw/zinc/17/38/75/1018173875.db2.gz YOFUTODCRANEGG-UHFFFAOYSA-N 1 2 336.486 3.512 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000122082510 1018180997 /nfs/dbraw/zinc/18/09/97/1018180997.db2.gz BUKBKXFADNQUAL-IRXDYDNUSA-N 1 2 340.471 3.509 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569894 1018235131 /nfs/dbraw/zinc/23/51/31/1018235131.db2.gz VLLCEPNGABGYRG-GVDBMIGSSA-N 1 2 347.503 3.948 20 0 EHADLO O=C(NCC1CC(c2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000549313903 1018242482 /nfs/dbraw/zinc/24/24/82/1018242482.db2.gz RWADOKPAQSXUQE-UHFFFAOYSA-N 1 2 345.446 3.855 20 0 EHADLO COc1ccc(Cl)cc1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606569759 1032755160 /nfs/dbraw/zinc/75/51/60/1032755160.db2.gz VHUJPTMPJBRUHZ-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1coc2ccc(Cl)cc12 ZINC000651080171 1018401569 /nfs/dbraw/zinc/40/15/69/1018401569.db2.gz SDTOSISRGAEZJT-UHFFFAOYSA-N 1 2 343.814 3.592 20 0 EHADLO O=C(NCc1ccccc1C(F)(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000606581559 1032763539 /nfs/dbraw/zinc/76/35/39/1032763539.db2.gz INHXOTXDCLEGSM-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO O=C(NCCc1csc2ccccc12)Nc1ccc2[nH+]ccn2c1 ZINC000606581343 1032763640 /nfs/dbraw/zinc/76/36/40/1032763640.db2.gz ZIQYMISAFDMYDD-UHFFFAOYSA-N 1 2 336.420 3.913 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000343849538 1018430639 /nfs/dbraw/zinc/43/06/39/1018430639.db2.gz CQSACXKSVPMZCZ-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO FC(F)(F)COc1cc(NCc2ccn(-c3ccccc3)n2)cc[nH+]1 ZINC000340559084 1018446729 /nfs/dbraw/zinc/44/67/29/1018446729.db2.gz SGOUZMLQPSAWEY-UHFFFAOYSA-N 1 2 348.328 3.821 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581787 1032767008 /nfs/dbraw/zinc/76/70/08/1032767008.db2.gz QCYYERIOOGSSCS-UHFFFAOYSA-N 1 2 326.375 3.918 20 0 EHADLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000340563170 1018480396 /nfs/dbraw/zinc/48/03/96/1018480396.db2.gz NRMRNSQYGUBHCR-CYBMUJFWSA-N 1 2 346.377 3.521 20 0 EHADLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000340563170 1018480402 /nfs/dbraw/zinc/48/04/02/1018480402.db2.gz NRMRNSQYGUBHCR-CYBMUJFWSA-N 1 2 346.377 3.521 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)[nH+]1 ZINC000045103399 1018580000 /nfs/dbraw/zinc/58/00/00/1018580000.db2.gz VISJAOFGGAQQGO-SNVBAGLBSA-N 1 2 345.403 3.718 20 0 EHADLO Cl/C=C/CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000045965421 1018663490 /nfs/dbraw/zinc/66/34/90/1018663490.db2.gz RHLORQCTZFRHAP-RMKNXTFCSA-N 1 2 334.876 3.708 20 0 EHADLO COc1cc(Nc2ccc3nnc(-c4ccccc4F)n3c2)cc(C)[nH+]1 ZINC001210780270 1018672264 /nfs/dbraw/zinc/67/22/64/1018672264.db2.gz MGZAWRUBMIJHHB-UHFFFAOYSA-N 1 2 349.369 3.991 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2cnn(C)c2C2CC2)c2ccccn2)cc1 ZINC000894148838 1018715588 /nfs/dbraw/zinc/71/55/88/1018715588.db2.gz QTBPEPGEIXWXTN-HXUWFJFHSA-N 1 2 332.451 3.880 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC3(CCCCC3)CC2)o1 ZINC000664081376 1018721165 /nfs/dbraw/zinc/72/11/65/1018721165.db2.gz PPSDMJWIKHEYSN-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC3(CCCCC3)CC2)o1 ZINC000664081376 1018721176 /nfs/dbraw/zinc/72/11/76/1018721176.db2.gz PPSDMJWIKHEYSN-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c(C)c[nH+]1 ZINC000580159321 1018723081 /nfs/dbraw/zinc/72/30/81/1018723081.db2.gz BYYTXHJKAQNNPP-QGZVFWFLSA-N 1 2 331.366 3.768 20 0 EHADLO O=C(/C=C/c1cc2ccccc2o1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012721 1018753581 /nfs/dbraw/zinc/75/35/81/1018753581.db2.gz CVTCPTMRWFMOPO-BQYQJAHWSA-N 1 2 347.418 3.758 20 0 EHADLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000052409866 1018797217 /nfs/dbraw/zinc/79/72/17/1018797217.db2.gz OCMWLCPXVHLKJP-UHFFFAOYSA-N 1 2 328.481 3.830 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161747 1018853956 /nfs/dbraw/zinc/85/39/56/1018853956.db2.gz CBQZVTPNGDNGTM-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161747 1018853985 /nfs/dbraw/zinc/85/39/85/1018853985.db2.gz CBQZVTPNGDNGTM-UHFFFAOYSA-N 1 2 342.414 3.746 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ccccc21 ZINC000683845777 1018858113 /nfs/dbraw/zinc/85/81/13/1018858113.db2.gz FKRGXJWMNMTFKX-HZPDHXFCSA-N 1 2 336.439 3.722 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000580250747 1018870951 /nfs/dbraw/zinc/87/09/51/1018870951.db2.gz NLGODIQMKVYCKI-UHFFFAOYSA-N 1 2 338.411 3.772 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)c1ccccc1F ZINC000576404267 1018936837 /nfs/dbraw/zinc/93/68/37/1018936837.db2.gz GJHIQKZSIUPAKP-OTYXRUKQSA-N 1 2 344.249 3.861 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](CC(F)F)c2ccccc2)cs1 ZINC000580309001 1018968876 /nfs/dbraw/zinc/96/88/76/1018968876.db2.gz YJSUHPHNRJZYTL-CYBMUJFWSA-N 1 2 340.395 3.806 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1CCC(F)(F)F)n1cc[nH+]c1 ZINC000580315605 1019008044 /nfs/dbraw/zinc/00/80/44/1019008044.db2.gz KQKJMJVUYVUFDC-GFCCVEGCSA-N 1 2 325.334 3.968 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccsc1)[C@H](C)c1ccc(F)cc1 ZINC000120563029 1019048510 /nfs/dbraw/zinc/04/85/10/1019048510.db2.gz ADJUWQMNJIJWAS-CQSZACIVSA-N 1 2 334.460 3.929 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccsc1)[C@H](C)c1ccc(F)cc1 ZINC000120563029 1019048528 /nfs/dbraw/zinc/04/85/28/1019048528.db2.gz ADJUWQMNJIJWAS-CQSZACIVSA-N 1 2 334.460 3.929 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000052560237 1019080525 /nfs/dbraw/zinc/08/05/25/1019080525.db2.gz FEBYCZGZBDAQHY-UHFFFAOYSA-N 1 2 347.462 3.879 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155729915 1019242773 /nfs/dbraw/zinc/24/27/73/1019242773.db2.gz BKUAQRSKBBTMET-HNNXBMFYSA-N 1 2 339.468 3.882 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155729915 1019242780 /nfs/dbraw/zinc/24/27/80/1019242780.db2.gz BKUAQRSKBBTMET-HNNXBMFYSA-N 1 2 339.468 3.882 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Br ZINC000528785270 1032818399 /nfs/dbraw/zinc/81/83/99/1032818399.db2.gz BPAUCTKRFHCMGO-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Br ZINC000528785270 1032818416 /nfs/dbraw/zinc/81/84/16/1032818416.db2.gz BPAUCTKRFHCMGO-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCc1ccc(Cl)s1 ZINC000052804359 1019265007 /nfs/dbraw/zinc/26/50/07/1019265007.db2.gz MXHWGSWSJXLSHG-CYBMUJFWSA-N 1 2 340.901 3.916 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCc1ccc(Cl)s1 ZINC000052804359 1019265029 /nfs/dbraw/zinc/26/50/29/1019265029.db2.gz MXHWGSWSJXLSHG-CYBMUJFWSA-N 1 2 340.901 3.916 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)n(C(C)(C)C)n1 ZINC000052804774 1019269866 /nfs/dbraw/zinc/26/98/66/1019269866.db2.gz MQGLTKJKKSASQC-HNNXBMFYSA-N 1 2 346.500 3.784 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)n(C(C)(C)C)n1 ZINC000052804774 1019269877 /nfs/dbraw/zinc/26/98/77/1019269877.db2.gz MQGLTKJKKSASQC-HNNXBMFYSA-N 1 2 346.500 3.784 20 0 EHADLO COc1ccc(/C=C/C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000047533686 1019335968 /nfs/dbraw/zinc/33/59/68/1019335968.db2.gz YOVSVHYPERYHCC-VQHVLOKHSA-N 1 2 349.390 3.541 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc2ccccc21)c1nnc2n1CCCCC2 ZINC000894214313 1019358845 /nfs/dbraw/zinc/35/88/45/1019358845.db2.gz VELYGRQKBLFNLO-KRWDZBQOSA-N 1 2 335.455 3.794 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000580447723 1019375567 /nfs/dbraw/zinc/37/55/67/1019375567.db2.gz QIBCLMGLRHNXCU-CABCVRRESA-N 1 2 325.456 3.560 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000580447723 1019375582 /nfs/dbraw/zinc/37/55/82/1019375582.db2.gz QIBCLMGLRHNXCU-CABCVRRESA-N 1 2 325.456 3.560 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cc4c(cccc4O)s3)CCCC2)no1 ZINC000894218096 1019377991 /nfs/dbraw/zinc/37/79/91/1019377991.db2.gz HFUJERIBZGXYSE-UHFFFAOYSA-N 1 2 329.425 3.857 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528787240 1032823736 /nfs/dbraw/zinc/82/37/36/1032823736.db2.gz IDYNQXMTSHYBDC-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528787240 1032823757 /nfs/dbraw/zinc/82/37/57/1032823757.db2.gz IDYNQXMTSHYBDC-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2OC2CCCC2)CC[S@]1=O ZINC000449573956 1032829467 /nfs/dbraw/zinc/82/94/67/1032829467.db2.gz UVWLFTRMZUOMKQ-HSZRJFAPSA-N 1 2 335.513 3.741 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2OC2CCCC2)CC[S@]1=O ZINC000449573956 1032829480 /nfs/dbraw/zinc/82/94/80/1032829480.db2.gz UVWLFTRMZUOMKQ-HSZRJFAPSA-N 1 2 335.513 3.741 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCn3cccc3[C@@H]2C)cn1 ZINC000430001859 1019451480 /nfs/dbraw/zinc/45/14/80/1019451480.db2.gz MZZCRUVRSBZVGM-HNNXBMFYSA-N 1 2 334.423 3.531 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCn3cccc3[C@@H]2C)cn1 ZINC000430001859 1019451486 /nfs/dbraw/zinc/45/14/86/1019451486.db2.gz MZZCRUVRSBZVGM-HNNXBMFYSA-N 1 2 334.423 3.531 20 0 EHADLO CC1(C)CC[N@H+](Cc2c(Cl)ccc3cccnc32)CC[S@@]1=O ZINC000449573202 1032831723 /nfs/dbraw/zinc/83/17/23/1032831723.db2.gz RERDWLHTDDKXLR-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[S@@]1=O ZINC000449573202 1032831740 /nfs/dbraw/zinc/83/17/40/1032831740.db2.gz RERDWLHTDDKXLR-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614481773 1019534912 /nfs/dbraw/zinc/53/49/12/1019534912.db2.gz WTUHEBLMBZNRAG-IAGOWNOFSA-N 1 2 341.499 3.896 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000897583985 1032839552 /nfs/dbraw/zinc/83/95/52/1032839552.db2.gz XUOHAVQOBMYHHI-SFHVURJKSA-N 1 2 325.456 3.539 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C(C)(C)C)nc(C(C)C)n1)CCC2 ZINC000433762778 1019591035 /nfs/dbraw/zinc/59/10/35/1019591035.db2.gz AUXIFAUAFMTWEW-OAHLLOKOSA-N 1 2 341.503 3.814 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433780321 1019604350 /nfs/dbraw/zinc/60/43/50/1019604350.db2.gz SUAKMYMCCOHILK-CHWSQXEVSA-N 1 2 328.382 3.857 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433780321 1019604354 /nfs/dbraw/zinc/60/43/54/1019604354.db2.gz SUAKMYMCCOHILK-CHWSQXEVSA-N 1 2 328.382 3.857 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cn(-c2ccccc2F)nc1C ZINC000656250091 1019607813 /nfs/dbraw/zinc/60/78/13/1019607813.db2.gz IJPAZPGQCYUYGO-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cn(-c2ccccc2F)nc1C ZINC000656250091 1019607825 /nfs/dbraw/zinc/60/78/25/1019607825.db2.gz IJPAZPGQCYUYGO-UHFFFAOYSA-N 1 2 343.402 3.561 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2CNc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433785708 1019616316 /nfs/dbraw/zinc/61/63/16/1019616316.db2.gz JYUVJZUBTVFHPL-SJLPKXTDSA-N 1 2 336.439 3.576 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)s1 ZINC000656250683 1019625539 /nfs/dbraw/zinc/62/55/39/1019625539.db2.gz YGSVPQWGBUSSEI-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cn(-c3ccccc3F)nc2C)s1 ZINC000656250683 1019625548 /nfs/dbraw/zinc/62/55/48/1019625548.db2.gz YGSVPQWGBUSSEI-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000580580982 1019686636 /nfs/dbraw/zinc/68/66/36/1019686636.db2.gz GOJHSCQSSWRLTP-CQSZACIVSA-N 1 2 347.422 3.910 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000580580982 1019686643 /nfs/dbraw/zinc/68/66/43/1019686643.db2.gz GOJHSCQSSWRLTP-CQSZACIVSA-N 1 2 347.422 3.910 20 0 EHADLO O=C(CCOCC1CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000433877229 1019735895 /nfs/dbraw/zinc/73/58/95/1019735895.db2.gz LBZOIHIWNGAGCR-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3c(Cl)cnn3C)CC2)n1 ZINC000656271492 1019849590 /nfs/dbraw/zinc/84/95/90/1019849590.db2.gz TXZDYMWBRSVHBH-UHFFFAOYSA-N 1 2 338.908 3.547 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433997659 1019863722 /nfs/dbraw/zinc/86/37/22/1019863722.db2.gz APXUJXZVEJNMPA-YWTNHNAXSA-N 1 2 343.471 3.603 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc(C)c(Cl)c2)c1C ZINC000050448565 1019926361 /nfs/dbraw/zinc/92/63/61/1019926361.db2.gz ZJOSJDBIPXYOLW-UHFFFAOYSA-N 1 2 346.858 3.918 20 0 EHADLO CC(C)c1nnc([C@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986885 1019956026 /nfs/dbraw/zinc/95/60/26/1019956026.db2.gz INMFACDVPQGMJM-IAGOWNOFSA-N 1 2 345.418 3.783 20 0 EHADLO CC(C)c1nnc([C@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986885 1019956036 /nfs/dbraw/zinc/95/60/36/1019956036.db2.gz INMFACDVPQGMJM-IAGOWNOFSA-N 1 2 345.418 3.783 20 0 EHADLO CC(C)(C)c1nnc(N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000340779965 1019975441 /nfs/dbraw/zinc/97/54/41/1019975441.db2.gz NNAUSRANHGPOQM-UHFFFAOYSA-N 1 2 333.505 3.729 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ncccc3-c3ccccc3)ccn12 ZINC001266647470 1019979610 /nfs/dbraw/zinc/97/96/10/1019979610.db2.gz NXXRYZFPOVUJLU-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CCc1ccc2c(C[NH2+][C@@H](C)c3ncccc3F)cc(=O)oc2c1 ZINC000528826754 1032872487 /nfs/dbraw/zinc/87/24/87/1032872487.db2.gz HWFVXFUJHYYLBU-LBPRGKRZSA-N 1 2 326.371 3.740 20 0 EHADLO Cc1cc(Br)cn2c(CNc3ccn(C(C)C)n3)c[nH+]c12 ZINC000280155820 1020135741 /nfs/dbraw/zinc/13/57/41/1020135741.db2.gz APELKTPVUUDZCY-UHFFFAOYSA-N 1 2 348.248 3.795 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000280212840 1020183096 /nfs/dbraw/zinc/18/30/96/1020183096.db2.gz RGOJVURHGHFPEY-LMMKCTJWSA-N 1 2 329.488 3.503 20 0 EHADLO CCCc1cnc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000345422095 1020238332 /nfs/dbraw/zinc/23/83/32/1020238332.db2.gz KHGHKJIHYRQTCZ-UHFFFAOYSA-N 1 2 326.425 3.842 20 0 EHADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000345400338 1020245646 /nfs/dbraw/zinc/24/56/46/1020245646.db2.gz LXFZKGISNFSJLO-KRWDZBQOSA-N 1 2 344.499 3.527 20 0 EHADLO c1coc(C[NH+]2CCN(Cc3ccccc3Oc3cccnc3)CC2)c1 ZINC000345402617 1020246718 /nfs/dbraw/zinc/24/67/18/1020246718.db2.gz KMANAIPSYMATMT-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO c1coc(CN2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)c1 ZINC000345402617 1020246725 /nfs/dbraw/zinc/24/67/25/1020246725.db2.gz KMANAIPSYMATMT-UHFFFAOYSA-N 1 2 349.434 3.785 20 0 EHADLO COC(=O)c1cc(C[NH+](Cc2cccs2)Cc2cccs2)on1 ZINC000602433118 1032886696 /nfs/dbraw/zinc/88/66/96/1032886696.db2.gz QVIBGJNMRIGDRQ-UHFFFAOYSA-N 1 2 348.449 3.787 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345439600 1020254151 /nfs/dbraw/zinc/25/41/51/1020254151.db2.gz BJISHMLTTMHSEN-CVEARBPZSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1sccc1CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000345470619 1020283519 /nfs/dbraw/zinc/28/35/19/1020283519.db2.gz RUAMYXOCSXBTKC-AWEZNQCLSA-N 1 2 346.471 3.644 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000580944674 1020284160 /nfs/dbraw/zinc/28/41/60/1020284160.db2.gz CAJMLWKMTQHKNP-QGZVFWFLSA-N 1 2 333.378 3.829 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000510360705 1020285516 /nfs/dbraw/zinc/28/55/16/1020285516.db2.gz ZBBSAUQUALEXNA-RBUKOAKNSA-N 1 2 337.467 3.606 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897366 1032890011 /nfs/dbraw/zinc/89/00/11/1032890011.db2.gz BGKUTEGJLYKSFT-QLFBSQMISA-N 1 2 334.891 3.591 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897366 1032890028 /nfs/dbraw/zinc/89/00/28/1032890028.db2.gz BGKUTEGJLYKSFT-QLFBSQMISA-N 1 2 334.891 3.591 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H](c1ccccc1)C1CC1 ZINC000345606519 1020382272 /nfs/dbraw/zinc/38/22/72/1020382272.db2.gz BNTQJTGVXWKKMX-HXUWFJFHSA-N 1 2 331.419 3.682 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3ncccc3F)C2=O)c(C)c1 ZINC000528825559 1032899754 /nfs/dbraw/zinc/89/97/54/1032899754.db2.gz SKPDKSDIFBXUAI-DOTOQJQBSA-N 1 2 341.430 3.602 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000528825635 1032899930 /nfs/dbraw/zinc/89/99/30/1032899930.db2.gz ILRQCTVYAPSGSO-FDPIWHGQSA-N 1 2 341.430 3.626 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2cccc(Cl)c2F)CC1)C(F)(F)F ZINC000093766783 1032900977 /nfs/dbraw/zinc/90/09/77/1032900977.db2.gz RZHUSHWCWJVZBO-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO CSc1cccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000345665338 1020436325 /nfs/dbraw/zinc/43/63/25/1020436325.db2.gz UFBDLARQYPYPGR-UHFFFAOYSA-N 1 2 347.509 3.781 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000156005353 1020451841 /nfs/dbraw/zinc/45/18/41/1020451841.db2.gz JLKQRFACZGUNEN-KSSFIOAISA-N 1 2 346.496 3.624 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000156005353 1020451853 /nfs/dbraw/zinc/45/18/53/1020451853.db2.gz JLKQRFACZGUNEN-KSSFIOAISA-N 1 2 346.496 3.624 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000656417065 1020467008 /nfs/dbraw/zinc/46/70/08/1020467008.db2.gz PGJFNCQFBLEMOG-DTORHVGOSA-N 1 2 349.706 3.599 20 0 EHADLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCn2cc(Cl)cn2)C1 ZINC000656417065 1020467019 /nfs/dbraw/zinc/46/70/19/1020467019.db2.gz PGJFNCQFBLEMOG-DTORHVGOSA-N 1 2 349.706 3.599 20 0 EHADLO FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](CCn2cc(Cl)cn2)C1 ZINC000656417067 1020467482 /nfs/dbraw/zinc/46/74/82/1020467482.db2.gz PGJFNCQFBLEMOG-RKDXNWHRSA-N 1 2 349.706 3.599 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)sc1C ZINC000280538170 1020467560 /nfs/dbraw/zinc/46/75/60/1020467560.db2.gz SVLHVABJICHMCZ-OAHLLOKOSA-N 1 2 346.452 3.584 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2)sc1C ZINC000280538170 1020467563 /nfs/dbraw/zinc/46/75/63/1020467563.db2.gz SVLHVABJICHMCZ-OAHLLOKOSA-N 1 2 346.452 3.584 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)c2ccccc21 ZINC000684155653 1020495077 /nfs/dbraw/zinc/49/50/77/1020495077.db2.gz GRWZSAIDVOSAFP-LPHOPBHVSA-N 1 2 325.456 3.707 20 0 EHADLO c1cn(Cc2ccccc2)c(Cc2nc([C@@H]3CCCOC3)cs2)[nH+]1 ZINC000345790390 1020523085 /nfs/dbraw/zinc/52/30/85/1020523085.db2.gz TUHNUCXZLUKSSX-MRXNPFEDSA-N 1 2 339.464 3.873 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@H](OCC(C)C)C3)o2)cc1C ZINC000345858126 1020562216 /nfs/dbraw/zinc/56/22/16/1020562216.db2.gz CFHGWEOTWVCSRM-AWEZNQCLSA-N 1 2 349.500 3.916 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CC[C@H](OCC(C)C)C3)o2)cc1C ZINC000345858126 1020562225 /nfs/dbraw/zinc/56/22/25/1020562225.db2.gz CFHGWEOTWVCSRM-AWEZNQCLSA-N 1 2 349.500 3.916 20 0 EHADLO C[S@@](=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000093838543 1032911939 /nfs/dbraw/zinc/91/19/39/1032911939.db2.gz GBJSAVGYQFIBFT-WNSKOXEYSA-N 1 2 349.883 3.731 20 0 EHADLO C[S@@](=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000093838543 1032911952 /nfs/dbraw/zinc/91/19/52/1032911952.db2.gz GBJSAVGYQFIBFT-WNSKOXEYSA-N 1 2 349.883 3.731 20 0 EHADLO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000066973575 1020589399 /nfs/dbraw/zinc/58/93/99/1020589399.db2.gz SINAIBWWQVONIU-UHFFFAOYSA-N 1 2 338.411 3.676 20 0 EHADLO Cc1cc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000340951356 1020669439 /nfs/dbraw/zinc/66/94/39/1020669439.db2.gz OBVVIUQQEPYJPP-NVXWUHKLSA-N 1 2 329.831 3.680 20 0 EHADLO Cc1cc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000340951357 1020669741 /nfs/dbraw/zinc/66/97/41/1020669741.db2.gz OBVVIUQQEPYJPP-RDJZCZTQSA-N 1 2 329.831 3.680 20 0 EHADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000656470047 1020672728 /nfs/dbraw/zinc/67/27/28/1020672728.db2.gz DDNRBMYURBOLKB-QGZVFWFLSA-N 1 2 339.826 3.565 20 0 EHADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000656470047 1020672730 /nfs/dbraw/zinc/67/27/30/1020672730.db2.gz DDNRBMYURBOLKB-QGZVFWFLSA-N 1 2 339.826 3.565 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC[C@@H](C)c3ccccc3)[nH+]c12 ZINC000123784809 1020724306 /nfs/dbraw/zinc/72/43/06/1020724306.db2.gz BMJLRSKZMLMKDB-MRXNPFEDSA-N 1 2 335.451 3.885 20 0 EHADLO CCCn1c(CNC[C@H](c2cccs2)[NH+](C)C)nc2ccccc21 ZINC000237027026 1020732406 /nfs/dbraw/zinc/73/24/06/1020732406.db2.gz AWRFRDQPLCVITF-QGZVFWFLSA-N 1 2 342.512 3.900 20 0 EHADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000581371684 1020755463 /nfs/dbraw/zinc/75/54/63/1020755463.db2.gz IFSQYMUTYFBORY-JXFKEZNVSA-N 1 2 341.430 3.593 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000684211876 1020760675 /nfs/dbraw/zinc/76/06/75/1020760675.db2.gz XMJCCNJCEXQBEI-UHFFFAOYSA-N 1 2 344.509 3.898 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000684211876 1020760682 /nfs/dbraw/zinc/76/06/82/1020760682.db2.gz XMJCCNJCEXQBEI-UHFFFAOYSA-N 1 2 344.509 3.898 20 0 EHADLO CN(Cc1cccc(F)c1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340999335 1020805370 /nfs/dbraw/zinc/80/53/70/1020805370.db2.gz URWVGZSYJASUMB-SFHVURJKSA-N 1 2 337.398 3.729 20 0 EHADLO CCCCc1noc([C@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)n1 ZINC000528851701 1032932239 /nfs/dbraw/zinc/93/22/39/1032932239.db2.gz XOHIKDWNVWZPPP-SJCJKPOMSA-N 1 2 330.432 3.618 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1C1CCCCC1 ZINC001167458793 1020815849 /nfs/dbraw/zinc/81/58/49/1020815849.db2.gz XTNOEWFFJHGJLD-GOSISDBHSA-N 1 2 332.875 3.632 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1C1CCCCC1 ZINC001167458793 1020815855 /nfs/dbraw/zinc/81/58/55/1020815855.db2.gz XTNOEWFFJHGJLD-GOSISDBHSA-N 1 2 332.875 3.632 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000581408398 1020822823 /nfs/dbraw/zinc/82/28/23/1020822823.db2.gz LESIUQSOWPJDHK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000581408398 1020822829 /nfs/dbraw/zinc/82/28/29/1020822829.db2.gz LESIUQSOWPJDHK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO c1ccc([C@@H]2CC[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)O2)cc1 ZINC000341041229 1020897735 /nfs/dbraw/zinc/89/77/35/1020897735.db2.gz JMTRHBFLBQGRKC-ROUUACIJSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@@H]2CC[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)O2)cc1 ZINC000341041229 1020897742 /nfs/dbraw/zinc/89/77/42/1020897742.db2.gz JMTRHBFLBQGRKC-ROUUACIJSA-N 1 2 338.455 3.799 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000341098541 1020977565 /nfs/dbraw/zinc/97/75/65/1020977565.db2.gz CCWLRXTXYWZYEU-LLVKDONJSA-N 1 2 343.349 3.812 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000341103181 1020982633 /nfs/dbraw/zinc/98/26/33/1020982633.db2.gz RMXISGUIIOAUET-GFCCVEGCSA-N 1 2 340.427 3.671 20 0 EHADLO Cc1c[nH+]c(CCSc2nncn2CCc2cccs2)c(C)c1 ZINC000581488152 1021010603 /nfs/dbraw/zinc/01/06/03/1021010603.db2.gz QCSSNMPRWWEBSM-UHFFFAOYSA-N 1 2 344.509 3.929 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341192240 1021071073 /nfs/dbraw/zinc/07/10/73/1021071073.db2.gz ZUYMYMWMUFYSIS-JKSUJKDBSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)sc1C ZINC000341204092 1021094960 /nfs/dbraw/zinc/09/49/60/1021094960.db2.gz DXTYSNCTADOSPE-NXEZZACHSA-N 1 2 339.411 3.716 20 0 EHADLO CCC[C@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005709 1021113689 /nfs/dbraw/zinc/11/36/89/1021113689.db2.gz NTYDWASFFIIHIF-INIZCTEOSA-N 1 2 346.519 3.599 20 0 EHADLO CSc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000341240067 1021155644 /nfs/dbraw/zinc/15/56/44/1021155644.db2.gz MEBMXFWAJHPUDK-UHFFFAOYSA-N 1 2 333.457 3.531 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681122 1021159562 /nfs/dbraw/zinc/15/95/62/1021159562.db2.gz AELYWBSSWXXVMW-CHWSQXEVSA-N 1 2 331.485 3.946 20 0 EHADLO CCc1ccccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341243784 1021167315 /nfs/dbraw/zinc/16/73/15/1021167315.db2.gz SNZUNRFFZRLXDT-UHFFFAOYSA-N 1 2 325.456 3.778 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353894668 1021309199 /nfs/dbraw/zinc/30/91/99/1021309199.db2.gz NREZZUUBVIBEIK-UHFFFAOYSA-N 1 2 328.796 3.560 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776099 1021326806 /nfs/dbraw/zinc/32/68/06/1021326806.db2.gz GLBLXLAKELMPQD-UHFFFAOYSA-N 1 2 328.412 3.598 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(O)cc2F)no1)c1cccc(Cl)c1 ZINC000436880873 1021330130 /nfs/dbraw/zinc/33/01/30/1021330130.db2.gz UDTDKJFSPOCCNX-HNNXBMFYSA-N 1 2 347.777 3.886 20 0 EHADLO C[C@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cn1cc[nH+]c1 ZINC000607040757 1032974207 /nfs/dbraw/zinc/97/42/07/1032974207.db2.gz BLLWRRIVJPIPMR-CQSZACIVSA-N 1 2 331.485 3.670 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507597512 1021387956 /nfs/dbraw/zinc/38/79/56/1021387956.db2.gz NHEHYYDKCRESBD-YESZJQIVSA-N 1 2 346.519 3.933 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000341310094 1021399403 /nfs/dbraw/zinc/39/94/03/1021399403.db2.gz BJSAVTYIRDWYAZ-QGZVFWFLSA-N 1 2 326.444 3.640 20 0 EHADLO CC[N@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCCC1 ZINC000077443230 1021417645 /nfs/dbraw/zinc/41/76/45/1021417645.db2.gz YGXGHGONIVKPEO-UHFFFAOYSA-N 1 2 349.548 3.961 20 0 EHADLO CC[N@@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CCCC1 ZINC000077443230 1021417649 /nfs/dbraw/zinc/41/76/49/1021417649.db2.gz YGXGHGONIVKPEO-UHFFFAOYSA-N 1 2 349.548 3.961 20 0 EHADLO CC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1cc(F)ccc1F ZINC000607083076 1032980403 /nfs/dbraw/zinc/98/04/03/1032980403.db2.gz NSBRVPJSZGZVGQ-QGZVFWFLSA-N 1 2 343.377 3.731 20 0 EHADLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCC[C@H](c1cccnc1)C2 ZINC000507700421 1021451252 /nfs/dbraw/zinc/45/12/52/1021451252.db2.gz WOYBCCHWUILOAR-UWJYYQICSA-N 1 2 341.499 3.980 20 0 EHADLO C[C@@H](F)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425682220 1021479363 /nfs/dbraw/zinc/47/93/63/1021479363.db2.gz KWYZJAHEJHGJKF-CYBMUJFWSA-N 1 2 330.407 3.756 20 0 EHADLO Cc1ncsc1/C=C\c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345990711 1021483001 /nfs/dbraw/zinc/48/30/01/1021483001.db2.gz ZZOGFQHGVUIPQB-WAYWQWQTSA-N 1 2 349.419 3.917 20 0 EHADLO CCc1cc(C)cc(CC)c1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000280793956 1021491960 /nfs/dbraw/zinc/49/19/60/1021491960.db2.gz QJYUDDPMZUURBY-UHFFFAOYSA-N 1 2 328.460 3.870 20 0 EHADLO Cc1cccn2c(CNc3cccc(N4CCOC4=O)c3C)c[nH+]c12 ZINC000152284584 1021499268 /nfs/dbraw/zinc/49/92/68/1021499268.db2.gz GXSFMOMLOJVFFR-UHFFFAOYSA-N 1 2 336.395 3.520 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000426416374 1021528457 /nfs/dbraw/zinc/52/84/57/1021528457.db2.gz IAKVLDIDEIXALO-UHFFFAOYSA-N 1 2 327.833 3.976 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000426416374 1021528469 /nfs/dbraw/zinc/52/84/69/1021528469.db2.gz IAKVLDIDEIXALO-UHFFFAOYSA-N 1 2 327.833 3.976 20 0 EHADLO C[C@H](CNC(=O)c1cccc(Nc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000473878218 1021542512 /nfs/dbraw/zinc/54/25/12/1021542512.db2.gz SELNOWAVBCMJLG-MRXNPFEDSA-N 1 2 334.423 3.693 20 0 EHADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437085337 1021554954 /nfs/dbraw/zinc/55/49/54/1021554954.db2.gz ZTRAQPXWNWTRNH-CYBMUJFWSA-N 1 2 330.432 3.686 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2cc3cnccc3o2)[C@@H]1C(=O)OC(C)(C)C ZINC000593638885 1032993600 /nfs/dbraw/zinc/99/36/00/1032993600.db2.gz OUCWIBGGCWEYBV-GUYCJALGSA-N 1 2 330.428 3.770 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)[C@@H]1C(=O)OC(C)(C)C ZINC000593638885 1032993613 /nfs/dbraw/zinc/99/36/13/1032993613.db2.gz OUCWIBGGCWEYBV-GUYCJALGSA-N 1 2 330.428 3.770 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469454415 1021657942 /nfs/dbraw/zinc/65/79/42/1021657942.db2.gz KBWLFXRDXPZVSZ-RDTXWAMCSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469454415 1021657948 /nfs/dbraw/zinc/65/79/48/1021657948.db2.gz KBWLFXRDXPZVSZ-RDTXWAMCSA-N 1 2 331.362 3.668 20 0 EHADLO Cc1cccc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)c1C ZINC000289293591 1021705632 /nfs/dbraw/zinc/70/56/32/1021705632.db2.gz HJZLYNMSELOKJK-UHFFFAOYSA-N 1 2 341.430 3.598 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289306230 1021709203 /nfs/dbraw/zinc/70/92/03/1021709203.db2.gz ITIRSNMXRNGWQH-ZFWWWQNUSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289306230 1021709214 /nfs/dbraw/zinc/70/92/14/1021709214.db2.gz ITIRSNMXRNGWQH-ZFWWWQNUSA-N 1 2 345.393 3.566 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000440716332 1021737664 /nfs/dbraw/zinc/73/76/64/1021737664.db2.gz MRUBVTATSDOHIS-LPHOPBHVSA-N 1 2 335.451 3.514 20 0 EHADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000140569475 1033006631 /nfs/dbraw/zinc/00/66/31/1033006631.db2.gz ZEZIFVBUNLREMN-MRXNPFEDSA-N 1 2 345.512 3.750 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000440773238 1021761265 /nfs/dbraw/zinc/76/12/65/1021761265.db2.gz FBJXWHOLPXBGOC-INIZCTEOSA-N 1 2 334.508 3.668 20 0 EHADLO CSCC[C@@H](C)N(C)c1cc(N(C)[C@H](C)CCSC)[nH+]cn1 ZINC000439849806 1021767295 /nfs/dbraw/zinc/76/72/95/1021767295.db2.gz ZQZPQTSWEQHACH-ZIAGYGMSSA-N 1 2 342.578 3.632 20 0 EHADLO CCCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440835997 1021810064 /nfs/dbraw/zinc/81/00/64/1021810064.db2.gz FKYJSCZKHANVFW-GOSISDBHSA-N 1 2 328.460 3.731 20 0 EHADLO Cc1cc(N)nc(SCCCOc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000519106143 1021846009 /nfs/dbraw/zinc/84/60/09/1021846009.db2.gz QKBOJCPBQAHHQS-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000897624862 1033014809 /nfs/dbraw/zinc/01/48/09/1033014809.db2.gz AUPUYASHVLTHOR-OAHLLOKOSA-N 1 2 325.412 3.815 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673900 1033015088 /nfs/dbraw/zinc/01/50/88/1033015088.db2.gz QXNKZUYDRANBPT-SKDRFNHKSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673900 1033015105 /nfs/dbraw/zinc/01/51/05/1033015105.db2.gz QXNKZUYDRANBPT-SKDRFNHKSA-N 1 2 348.415 3.617 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000519192509 1021915520 /nfs/dbraw/zinc/91/55/20/1021915520.db2.gz MDOJPJCGRCWUAD-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000519192509 1021915526 /nfs/dbraw/zinc/91/55/26/1021915526.db2.gz MDOJPJCGRCWUAD-SFHVURJKSA-N 1 2 342.414 3.918 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000276596476 1021939195 /nfs/dbraw/zinc/93/91/95/1021939195.db2.gz DSQOXIMQVDOTKZ-IEBWSBKVSA-N 1 2 337.467 3.723 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)cc1 ZINC000437593080 1021966491 /nfs/dbraw/zinc/96/64/91/1021966491.db2.gz SMFIMYHPSLLKFY-KRWDZBQOSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)cc1 ZINC000437593080 1021966502 /nfs/dbraw/zinc/96/65/02/1021966502.db2.gz SMFIMYHPSLLKFY-KRWDZBQOSA-N 1 2 343.427 3.851 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000164834979 1021968439 /nfs/dbraw/zinc/96/84/39/1021968439.db2.gz NUXNPNVHLOBPMH-KRWDZBQOSA-N 1 2 337.471 3.635 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000341462011 1021970112 /nfs/dbraw/zinc/97/01/12/1021970112.db2.gz TULHHBBDKYWATE-HNNXBMFYSA-N 1 2 335.423 3.665 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@@H]1c1ccccc1 ZINC000437581696 1021971730 /nfs/dbraw/zinc/97/17/30/1021971730.db2.gz MFIMIZIQSUIXOM-HOCLYGCPSA-N 1 2 330.501 3.620 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nsc(N(C)C)n2)CC[C@@H]1c1ccccc1 ZINC000437581696 1021971737 /nfs/dbraw/zinc/97/17/37/1021971737.db2.gz MFIMIZIQSUIXOM-HOCLYGCPSA-N 1 2 330.501 3.620 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](CC[C@H]3CCOC3)CCO2)cc1Cl ZINC000437599888 1021972861 /nfs/dbraw/zinc/97/28/61/1021972861.db2.gz HDXLDNQVCGHXNU-LRDDRELGSA-N 1 2 330.255 3.793 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCOC3)CCO2)cc1Cl ZINC000437599888 1021972868 /nfs/dbraw/zinc/97/28/68/1021972868.db2.gz HDXLDNQVCGHXNU-LRDDRELGSA-N 1 2 330.255 3.793 20 0 EHADLO Cc1nnc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)o1 ZINC000299066931 1021981170 /nfs/dbraw/zinc/98/11/70/1021981170.db2.gz WKNABHPZUAYUJY-UHFFFAOYSA-N 1 2 336.233 3.700 20 0 EHADLO Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000299138706 1021996799 /nfs/dbraw/zinc/99/67/99/1021996799.db2.gz HAXWTDJICAGKFB-UHFFFAOYSA-N 1 2 335.498 3.680 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CC3)o2)cc1 ZINC000440294628 1022070910 /nfs/dbraw/zinc/07/09/10/1022070910.db2.gz RUPBAHQEWYSSMU-UHFFFAOYSA-N 1 2 339.370 3.663 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)s1 ZINC000473896761 1022096219 /nfs/dbraw/zinc/09/62/19/1022096219.db2.gz NKTZVCMKANSQQO-OAHLLOKOSA-N 1 2 346.471 3.644 20 0 EHADLO CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC000153924077 1033024142 /nfs/dbraw/zinc/02/41/42/1033024142.db2.gz ZELVYPXLHHCDPK-QZTJIDSGSA-N 1 2 338.455 3.601 20 0 EHADLO CCC[C@H](C)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000520297681 1022106911 /nfs/dbraw/zinc/10/69/11/1022106911.db2.gz WYMOYCNOUPXYBI-HNNXBMFYSA-N 1 2 329.444 3.548 20 0 EHADLO CC(C)C1(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000440363278 1022120152 /nfs/dbraw/zinc/12/01/52/1022120152.db2.gz IDLCOXBJHIGOKG-INIZCTEOSA-N 1 2 345.487 3.638 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)ccc2F)c(C)o1 ZINC000520330729 1022143447 /nfs/dbraw/zinc/14/34/47/1022143447.db2.gz MFVWZVKWEVSAIH-UHFFFAOYSA-N 1 2 325.767 3.799 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)ccc2F)c(C)o1 ZINC000520330729 1022143456 /nfs/dbraw/zinc/14/34/56/1022143456.db2.gz MFVWZVKWEVSAIH-UHFFFAOYSA-N 1 2 325.767 3.799 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)c(F)c1 ZINC000548300160 1022161040 /nfs/dbraw/zinc/16/10/40/1022161040.db2.gz CQHDBNWSRZTJDF-FQEVSTJZSA-N 1 2 345.389 3.516 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CCO2)c(F)c1 ZINC000548300160 1022161044 /nfs/dbraw/zinc/16/10/44/1022161044.db2.gz CQHDBNWSRZTJDF-FQEVSTJZSA-N 1 2 345.389 3.516 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000437829593 1022166923 /nfs/dbraw/zinc/16/69/23/1022166923.db2.gz SNHZATFNWZSIDB-MGPUTAFESA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000437829593 1022166931 /nfs/dbraw/zinc/16/69/31/1022166931.db2.gz SNHZATFNWZSIDB-MGPUTAFESA-N 1 2 336.435 3.533 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCSC(C)(C)C2)c(C)n1CC(F)(F)F ZINC000083418682 1022200291 /nfs/dbraw/zinc/20/02/91/1022200291.db2.gz HVCLDEGWIPXHAM-UHFFFAOYSA-N 1 2 348.434 3.677 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCSC(C)(C)C2)c(C)n1CC(F)(F)F ZINC000083418682 1022200299 /nfs/dbraw/zinc/20/02/99/1022200299.db2.gz HVCLDEGWIPXHAM-UHFFFAOYSA-N 1 2 348.434 3.677 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2ncc(C)s2)[C@@H](C)C1 ZINC000441391238 1022206905 /nfs/dbraw/zinc/20/69/05/1022206905.db2.gz ZUUKQPJPZKJGKV-HNNXBMFYSA-N 1 2 345.512 3.557 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2ncc(C)s2)[C@@H](C)C1 ZINC000441391238 1022206915 /nfs/dbraw/zinc/20/69/15/1022206915.db2.gz ZUUKQPJPZKJGKV-HNNXBMFYSA-N 1 2 345.512 3.557 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000548307545 1022211135 /nfs/dbraw/zinc/21/11/35/1022211135.db2.gz AIEDROZXYYWRMM-SDBXPKJASA-N 1 2 342.390 3.989 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)n1C1CCCCC1 ZINC000548311212 1022218137 /nfs/dbraw/zinc/21/81/37/1022218137.db2.gz TVVPSLHFDLNHGF-INIZCTEOSA-N 1 2 340.471 3.551 20 0 EHADLO CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C ZINC000188403067 1022221707 /nfs/dbraw/zinc/22/17/07/1022221707.db2.gz YUUKLALCENLHLM-UHFFFAOYSA-N 1 2 334.379 3.596 20 0 EHADLO CC(C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc2c(c1)OCO2 ZINC000550327645 1022237203 /nfs/dbraw/zinc/23/72/03/1022237203.db2.gz ZOBIUDOZJQEJOU-UHFFFAOYSA-N 1 2 349.390 3.722 20 0 EHADLO CC(C)[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159042 1022243005 /nfs/dbraw/zinc/24/30/05/1022243005.db2.gz DQENTMXNOSZMPC-RHSMWYFYSA-N 1 2 348.878 3.664 20 0 EHADLO CCCc1nc(C[N@@H+](CCC)[C@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000607157832 1033042512 /nfs/dbraw/zinc/04/25/12/1033042512.db2.gz WYONTHRHAVJRII-JKSUJKDBSA-N 1 2 335.492 3.972 20 0 EHADLO CCCc1nc(C[N@H+](CCC)[C@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000607157832 1033042514 /nfs/dbraw/zinc/04/25/14/1033042514.db2.gz WYONTHRHAVJRII-JKSUJKDBSA-N 1 2 335.492 3.972 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1c(F)cncc1F ZINC000894435317 1022281496 /nfs/dbraw/zinc/28/14/96/1022281496.db2.gz NCERHKJQNFXWFR-SSDOTTSWSA-N 1 2 337.317 3.772 20 0 EHADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccc(Br)cc1F ZINC000894435935 1022281882 /nfs/dbraw/zinc/28/18/82/1022281882.db2.gz QEWVWJWUMRWXDO-SNVBAGLBSA-N 1 2 338.224 3.970 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804160 1022286171 /nfs/dbraw/zinc/28/61/71/1022286171.db2.gz KZRRYFUBIFCADF-PELKAZGASA-N 1 2 327.268 3.679 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804160 1022286178 /nfs/dbraw/zinc/28/61/78/1022286178.db2.gz KZRRYFUBIFCADF-PELKAZGASA-N 1 2 327.268 3.679 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(Cl)cc1F)n2C ZINC000437980950 1022301722 /nfs/dbraw/zinc/30/17/22/1022301722.db2.gz SBDZYBXGBWBBNU-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(Oc2ccccc2F)CC1 ZINC000440430100 1022307607 /nfs/dbraw/zinc/30/76/07/1022307607.db2.gz DMJJEADQTLWOQT-UHFFFAOYSA-N 1 2 337.354 3.562 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894962806 1022307552 /nfs/dbraw/zinc/30/75/52/1022307552.db2.gz VBSQNECFDNGZJX-BEFAXECRSA-N 1 2 338.430 3.986 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894962806 1022307566 /nfs/dbraw/zinc/30/75/66/1022307566.db2.gz VBSQNECFDNGZJX-BEFAXECRSA-N 1 2 338.430 3.986 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143568287 1022315127 /nfs/dbraw/zinc/31/51/27/1022315127.db2.gz ROTNJOMAYGMZGD-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001143568287 1022315141 /nfs/dbraw/zinc/31/51/41/1022315141.db2.gz ROTNJOMAYGMZGD-CQSZACIVSA-N 1 2 347.287 3.830 20 0 EHADLO CC(C)N(Cc1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000506845471 1022331804 /nfs/dbraw/zinc/33/18/04/1022331804.db2.gz DYXPHTGSCANHDO-UHFFFAOYSA-N 1 2 344.434 3.643 20 0 EHADLO CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCCC1 ZINC000458875397 1022338764 /nfs/dbraw/zinc/33/87/64/1022338764.db2.gz FJTZLYUYPIUUNG-UHFFFAOYSA-N 1 2 346.862 4.000 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438147270 1022430986 /nfs/dbraw/zinc/43/09/86/1022430986.db2.gz CUNJHPGZZMXTTB-SIFCLUCFSA-N 1 2 347.418 3.555 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000664826655 1022460736 /nfs/dbraw/zinc/46/07/36/1022460736.db2.gz WAJUVAOGSTVBAW-OALUTQOASA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@H]1c1cccnc1 ZINC000664826655 1022460741 /nfs/dbraw/zinc/46/07/41/1022460741.db2.gz WAJUVAOGSTVBAW-OALUTQOASA-N 1 2 335.451 3.660 20 0 EHADLO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000550110760 1022486264 /nfs/dbraw/zinc/48/62/64/1022486264.db2.gz QWZZWWAWANQJPQ-AWEZNQCLSA-N 1 2 331.375 3.894 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000303660997 1022489208 /nfs/dbraw/zinc/48/92/08/1022489208.db2.gz MWEVCFJSZLXPKU-IBGZPJMESA-N 1 2 340.492 3.748 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000303660997 1022489215 /nfs/dbraw/zinc/48/92/15/1022489215.db2.gz MWEVCFJSZLXPKU-IBGZPJMESA-N 1 2 340.492 3.748 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000891739076 1022495374 /nfs/dbraw/zinc/49/53/74/1022495374.db2.gz PROSZZRRYKCMKN-LJQANCHMSA-N 1 2 335.455 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000891739076 1022495382 /nfs/dbraw/zinc/49/53/82/1022495382.db2.gz PROSZZRRYKCMKN-LJQANCHMSA-N 1 2 335.455 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000891739073 1022495797 /nfs/dbraw/zinc/49/57/97/1022495797.db2.gz PROSZZRRYKCMKN-IBGZPJMESA-N 1 2 335.455 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000891739073 1022495805 /nfs/dbraw/zinc/49/58/05/1022495805.db2.gz PROSZZRRYKCMKN-IBGZPJMESA-N 1 2 335.455 3.832 20 0 EHADLO CC1CCC(N(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000341597693 1022500104 /nfs/dbraw/zinc/50/01/04/1022500104.db2.gz YHZDMFMWHTUJLW-VMWRSERWSA-N 1 2 325.456 3.969 20 0 EHADLO FC(F)(F)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)s1 ZINC000425971828 1022514430 /nfs/dbraw/zinc/51/44/30/1022514430.db2.gz SOOFYMKZVWJPQA-UHFFFAOYSA-N 1 2 343.374 3.600 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]C[C@H]1CCSC1 ZINC000425975660 1022534916 /nfs/dbraw/zinc/53/49/16/1022534916.db2.gz FSQPNBZKLWBVOZ-DNVCBOLYSA-N 1 2 343.492 3.657 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ncc[nH]2)c(-c2ccccc2)cc1OC ZINC000894583576 1022589856 /nfs/dbraw/zinc/58/98/56/1022589856.db2.gz FOLZGPFPLBCBLH-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ncc[nH]2)c(-c2ccccc2)cc1OC ZINC000894583576 1022589870 /nfs/dbraw/zinc/58/98/70/1022589870.db2.gz FOLZGPFPLBCBLH-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO Nc1nc(NCc2ccccc2Br)[nH+]c2ccccc12 ZINC000301882716 1022590630 /nfs/dbraw/zinc/59/06/30/1022590630.db2.gz MZNBJEOCHFUZEV-UHFFFAOYSA-N 1 2 329.201 3.587 20 0 EHADLO CCCCNc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000119472806 1033067090 /nfs/dbraw/zinc/06/70/90/1033067090.db2.gz DANSYZYTSNYOPL-UHFFFAOYSA-N 1 2 344.484 3.595 20 0 EHADLO CCCCNc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000119472806 1033067104 /nfs/dbraw/zinc/06/71/04/1033067104.db2.gz DANSYZYTSNYOPL-UHFFFAOYSA-N 1 2 344.484 3.595 20 0 EHADLO Cc1nc(-c2ccccc2NC(=O)CCCn2cc[nH+]c2)cs1 ZINC000684503912 1022625899 /nfs/dbraw/zinc/62/58/99/1022625899.db2.gz LGLAXCPDINTDBH-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1CCc2ccsc2C1 ZINC000430742625 1022643173 /nfs/dbraw/zinc/64/31/73/1022643173.db2.gz MXJAHNPFSVTUOQ-UHFFFAOYSA-N 1 2 325.437 3.501 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1CCc2ccsc2C1 ZINC000430742625 1022643179 /nfs/dbraw/zinc/64/31/79/1022643179.db2.gz MXJAHNPFSVTUOQ-UHFFFAOYSA-N 1 2 325.437 3.501 20 0 EHADLO C[C@H]1CC[C@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004334 1022649344 /nfs/dbraw/zinc/64/93/44/1022649344.db2.gz UXORDLBVCPIVEF-LAQRGFTBSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H]1CC[C@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)C1 ZINC000665004334 1022649356 /nfs/dbraw/zinc/64/93/56/1022649356.db2.gz UXORDLBVCPIVEF-LAQRGFTBSA-N 1 2 341.455 3.935 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC000894650813 1022666557 /nfs/dbraw/zinc/66/65/57/1022666557.db2.gz NAPXFUYZQANERB-SECBINFHSA-N 1 2 336.632 3.588 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC000894650813 1022666563 /nfs/dbraw/zinc/66/65/63/1022666563.db2.gz NAPXFUYZQANERB-SECBINFHSA-N 1 2 336.632 3.588 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430777253 1022685945 /nfs/dbraw/zinc/68/59/45/1022685945.db2.gz UVBAPBRCKSOXDS-XNJGSVPQSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430777253 1022685952 /nfs/dbraw/zinc/68/59/52/1022685952.db2.gz UVBAPBRCKSOXDS-XNJGSVPQSA-N 1 2 327.827 3.638 20 0 EHADLO C[C@H]1CC[C@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011520 1022702285 /nfs/dbraw/zinc/70/22/85/1022702285.db2.gz UXORDLBVCPIVEF-MVJTYMMSSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H]1CC[C@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011520 1022702298 /nfs/dbraw/zinc/70/22/98/1022702298.db2.gz UXORDLBVCPIVEF-MVJTYMMSSA-N 1 2 341.455 3.935 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012327 1022715941 /nfs/dbraw/zinc/71/59/41/1022715941.db2.gz OXCWHSSQGSALPV-IZMZXHESSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C(C)=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012327 1022715954 /nfs/dbraw/zinc/71/59/54/1022715954.db2.gz OXCWHSSQGSALPV-IZMZXHESSA-N 1 2 327.428 3.845 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CCC1 ZINC000665012536 1022722224 /nfs/dbraw/zinc/72/22/24/1022722224.db2.gz QTHRRNSLQHFYHP-RKVPGOIHSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CCC1 ZINC000665012536 1022722241 /nfs/dbraw/zinc/72/22/41/1022722241.db2.gz QTHRRNSLQHFYHP-RKVPGOIHSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cccc(Cl)c2)c1)[NH+]1CCOCC1 ZINC000517855416 1022757212 /nfs/dbraw/zinc/75/72/12/1022757212.db2.gz CGSNIPZHAMWXKR-CQSZACIVSA-N 1 2 344.842 3.986 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341645523 1022768871 /nfs/dbraw/zinc/76/88/71/1022768871.db2.gz UAEDYERRPKJELZ-CYBMUJFWSA-N 1 2 347.411 3.713 20 0 EHADLO COc1ccc2ccc(NC[C@H](n3cccn3)C(F)(F)F)[nH+]c2c1 ZINC000894705355 1022776485 /nfs/dbraw/zinc/77/64/85/1022776485.db2.gz ZJCLSXAAIOXDCX-AWEZNQCLSA-N 1 2 336.317 3.655 20 0 EHADLO CN(C)C(=O)c1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC001211855706 1022858431 /nfs/dbraw/zinc/85/84/31/1022858431.db2.gz FIJSBYAHWIYWLF-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2CC(F)(F)F)CC[S@]1=O ZINC000602685259 1033086482 /nfs/dbraw/zinc/08/64/82/1033086482.db2.gz ZWQGQKPNACRVMC-JOCHJYFZSA-N 1 2 333.419 3.524 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2CC(F)(F)F)CC[S@]1=O ZINC000602685259 1033086500 /nfs/dbraw/zinc/08/65/00/1033086500.db2.gz ZWQGQKPNACRVMC-JOCHJYFZSA-N 1 2 333.419 3.524 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc2ncccc2o1 ZINC001125547936 1022885097 /nfs/dbraw/zinc/88/50/97/1022885097.db2.gz OXXFPDVXOKVOFM-UHFFFAOYSA-N 1 2 338.754 3.919 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1)CSCC2 ZINC000894784148 1022908620 /nfs/dbraw/zinc/90/86/20/1022908620.db2.gz FLFDMJJSTRRHPQ-INIZCTEOSA-N 1 2 333.526 3.854 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1)CSCC2 ZINC000894784148 1022908632 /nfs/dbraw/zinc/90/86/32/1022908632.db2.gz FLFDMJJSTRRHPQ-INIZCTEOSA-N 1 2 333.526 3.854 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)c[nH+]1 ZINC000424870789 1022918857 /nfs/dbraw/zinc/91/88/57/1022918857.db2.gz ZHOFMXMKMWZZBB-BGHVQYPCSA-N 1 2 340.389 3.929 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(C2CCCC2)n1 ZINC000891824393 1022941606 /nfs/dbraw/zinc/94/16/06/1022941606.db2.gz BGMJBNWIKJQBHG-MRXNPFEDSA-N 1 2 331.485 3.713 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(C2CCCC2)n1 ZINC000891824393 1022941617 /nfs/dbraw/zinc/94/16/17/1022941617.db2.gz BGMJBNWIKJQBHG-MRXNPFEDSA-N 1 2 331.485 3.713 20 0 EHADLO Cc1[nH+]cn(-c2ccc(N[C@H]3CCOC4(CCOCC4)C3)cc2)c1C ZINC000894818582 1022951665 /nfs/dbraw/zinc/95/16/65/1022951665.db2.gz QVIRDOCGNORUDL-SFHVURJKSA-N 1 2 341.455 3.629 20 0 EHADLO C[C@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000438740040 1022961392 /nfs/dbraw/zinc/96/13/92/1022961392.db2.gz WQFODSYNUWHARP-MAUKXSAKSA-N 1 2 341.455 3.863 20 0 EHADLO Clc1ccc2c(c1)ncnc2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000128060978 1022970126 /nfs/dbraw/zinc/97/01/26/1022970126.db2.gz ICOODGBHRDVFPX-UHFFFAOYSA-N 1 2 339.830 3.891 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1coc2ccccc12 ZINC000113145004 1022991238 /nfs/dbraw/zinc/99/12/38/1022991238.db2.gz UKENZHOBVLYYBU-UHFFFAOYSA-N 1 2 345.402 3.650 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000426727763 1023014023 /nfs/dbraw/zinc/01/40/23/1023014023.db2.gz QFVTTWVQVYABBG-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429607964 1023032021 /nfs/dbraw/zinc/03/20/21/1023032021.db2.gz FOIGOYIKUSSAEF-UHFFFAOYSA-N 1 2 332.835 3.845 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2noc3c2COCC3)CC1 ZINC000933818993 1023042159 /nfs/dbraw/zinc/04/21/59/1023042159.db2.gz FBHDILFOTHQBSL-UHFFFAOYSA-N 1 2 335.407 3.518 20 0 EHADLO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2noc3c2COCC3)CC1 ZINC000933818993 1023042171 /nfs/dbraw/zinc/04/21/71/1023042171.db2.gz FBHDILFOTHQBSL-UHFFFAOYSA-N 1 2 335.407 3.518 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000761042732 1033102470 /nfs/dbraw/zinc/10/24/70/1033102470.db2.gz QOXZSGQLCRLGTM-ZIAGYGMSSA-N 1 2 328.378 3.823 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000761042732 1033102479 /nfs/dbraw/zinc/10/24/79/1033102479.db2.gz QOXZSGQLCRLGTM-ZIAGYGMSSA-N 1 2 328.378 3.823 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1scnc1C1CC1 ZINC000429620874 1023066651 /nfs/dbraw/zinc/06/66/51/1023066651.db2.gz SHMTWRMBEWEIDI-UHFFFAOYSA-N 1 2 347.488 3.724 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1 ZINC001143564422 1023068095 /nfs/dbraw/zinc/06/80/95/1023068095.db2.gz ARULQVVXBGRDPL-BXKDBHETSA-N 1 2 341.295 3.943 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1 ZINC001143564422 1023068110 /nfs/dbraw/zinc/06/81/10/1023068110.db2.gz ARULQVVXBGRDPL-BXKDBHETSA-N 1 2 341.295 3.943 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000894368469 1023072560 /nfs/dbraw/zinc/07/25/60/1023072560.db2.gz QYHFKCLODIXGOJ-MRXNPFEDSA-N 1 2 336.501 3.601 20 0 EHADLO CC/C=C/CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459008731 1023085003 /nfs/dbraw/zinc/08/50/03/1023085003.db2.gz MCSLWNYDGJGUPQ-ONEGZZNKSA-N 1 2 346.862 3.715 20 0 EHADLO CCc1ccc(CC)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000438860602 1023085679 /nfs/dbraw/zinc/08/56/79/1023085679.db2.gz SHPWXUWLSONHFE-UHFFFAOYSA-N 1 2 340.471 3.708 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2cc(Cl)ccc21 ZINC000341713771 1023117069 /nfs/dbraw/zinc/11/70/69/1023117069.db2.gz RUVMUMAMOPKYMT-UHFFFAOYSA-N 1 2 337.810 3.788 20 0 EHADLO C[C@]([NH2+]Cc1ccc(Cl)c(F)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000189960311 1023139079 /nfs/dbraw/zinc/13/90/79/1023139079.db2.gz ANDGMUMYUOWNBK-MRXNPFEDSA-N 1 2 341.213 3.623 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2)c1C ZINC000053048072 1023145522 /nfs/dbraw/zinc/14/55/22/1023145522.db2.gz PXGYWIHRKYRSIV-HNNXBMFYSA-N 1 2 326.440 3.580 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2)c1C ZINC000053048072 1023145525 /nfs/dbraw/zinc/14/55/25/1023145525.db2.gz PXGYWIHRKYRSIV-HNNXBMFYSA-N 1 2 326.440 3.580 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)ccc2[nH+]1 ZINC000438912397 1023148656 /nfs/dbraw/zinc/14/86/56/1023148656.db2.gz OYIOVLFUVVCJHO-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2ccco2)c(C)c1 ZINC000441483892 1023164968 /nfs/dbraw/zinc/16/49/68/1023164968.db2.gz XGQSEAOYIXOHEX-IBGZPJMESA-N 1 2 337.423 3.583 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000507184253 1023170206 /nfs/dbraw/zinc/17/02/06/1023170206.db2.gz UKXUXDNMXJYKCO-WBVHZDCISA-N 1 2 346.519 3.933 20 0 EHADLO Cc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441484335 1023170733 /nfs/dbraw/zinc/17/07/33/1023170733.db2.gz AEDKNZPVUGLDKS-OAQYLSRUSA-N 1 2 347.462 3.909 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000079771065 1023222968 /nfs/dbraw/zinc/22/29/68/1023222968.db2.gz ODDPUANLVNBJDC-GOSISDBHSA-N 1 2 326.444 3.518 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000507278633 1023228902 /nfs/dbraw/zinc/22/89/02/1023228902.db2.gz MYYCHMMOZRCMFG-CQSZACIVSA-N 1 2 329.271 3.730 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000507278633 1023228908 /nfs/dbraw/zinc/22/89/08/1023228908.db2.gz MYYCHMMOZRCMFG-CQSZACIVSA-N 1 2 329.271 3.730 20 0 EHADLO Fc1cnc2c(c1)nccc2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000341742829 1023236458 /nfs/dbraw/zinc/23/64/58/1023236458.db2.gz IOHLFKSPFKRZEE-UHFFFAOYSA-N 1 2 333.370 3.626 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c[nH+]1 ZINC000459078247 1023239641 /nfs/dbraw/zinc/23/96/41/1023239641.db2.gz NXIFJZSMKRQCRI-GASCZTMLSA-N 1 2 343.393 3.961 20 0 EHADLO O[C@@H](COCc1ccccc1Cl)C[N@H+](CC(F)F)CC1CCC1 ZINC000536419755 1023242789 /nfs/dbraw/zinc/24/27/89/1023242789.db2.gz HBNYCVBMXGLAER-OAHLLOKOSA-N 1 2 347.833 3.585 20 0 EHADLO O[C@@H](COCc1ccccc1Cl)C[N@@H+](CC(F)F)CC1CCC1 ZINC000536419755 1023242798 /nfs/dbraw/zinc/24/27/98/1023242798.db2.gz HBNYCVBMXGLAER-OAHLLOKOSA-N 1 2 347.833 3.585 20 0 EHADLO CCOc1nnc(C[N@H+](C)CCc2cccc3ccccc32)s1 ZINC000507307003 1023243402 /nfs/dbraw/zinc/24/34/02/1023243402.db2.gz RUSFJBOMYJZHMY-UHFFFAOYSA-N 1 2 327.453 3.765 20 0 EHADLO CCOc1nnc(C[N@@H+](C)CCc2cccc3ccccc32)s1 ZINC000507307003 1023243408 /nfs/dbraw/zinc/24/34/08/1023243408.db2.gz RUSFJBOMYJZHMY-UHFFFAOYSA-N 1 2 327.453 3.765 20 0 EHADLO CNC(=O)C[NH+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000507329163 1023250302 /nfs/dbraw/zinc/25/03/02/1023250302.db2.gz VWTUUKBVQDTNRM-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000067744460 1023357269 /nfs/dbraw/zinc/35/72/69/1023357269.db2.gz CVWCCWAWCRDXHX-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO OC[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000294027250 1023401643 /nfs/dbraw/zinc/40/16/43/1023401643.db2.gz KZUKBHYCCMGGOG-LBPRGKRZSA-N 1 2 335.245 3.596 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H]3c3cccn3C)nc(N)c2c1C ZINC000684569736 1023431976 /nfs/dbraw/zinc/43/19/76/1023431976.db2.gz HLALJQPPPPWDSI-CQSZACIVSA-N 1 2 341.484 3.566 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3c3cccn3C)nc(N)c2c1C ZINC000684569736 1023431980 /nfs/dbraw/zinc/43/19/80/1023431980.db2.gz HLALJQPPPPWDSI-CQSZACIVSA-N 1 2 341.484 3.566 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cnn(Cc2ccccc2)c1 ZINC000349629459 1023461232 /nfs/dbraw/zinc/46/12/32/1023461232.db2.gz JOPKSXZAGJBCCF-LBPRGKRZSA-N 1 2 332.860 3.892 20 0 EHADLO C[C@@H](CC(=O)NCC(C)(C)c1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000582006152 1023506430 /nfs/dbraw/zinc/50/64/30/1023506430.db2.gz BKKCMOPMPLYURP-LBPRGKRZSA-N 1 2 337.826 3.721 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582005992 1023508521 /nfs/dbraw/zinc/50/85/21/1023508521.db2.gz UOMKHQVEILEBLI-RTBURBONSA-N 1 2 339.483 3.624 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2ccc(Br)cc2)c(C)c[nH+]1 ZINC000535774399 1023624235 /nfs/dbraw/zinc/62/42/35/1023624235.db2.gz NCIKEJUJHRBMEE-UHFFFAOYSA-N 1 2 348.244 3.547 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c(C)c[nH+]1 ZINC000535774994 1023626946 /nfs/dbraw/zinc/62/69/46/1023626946.db2.gz MQZQKRBCBUVOCJ-GFCCVEGCSA-N 1 2 335.354 3.604 20 0 EHADLO Cc1[nH]c(CN[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)[nH+]c1C ZINC000897749107 1033148754 /nfs/dbraw/zinc/14/87/54/1033148754.db2.gz UUYJXSOFAUQVPK-KRWDZBQOSA-N 1 2 329.444 3.508 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000607471515 1033151272 /nfs/dbraw/zinc/15/12/72/1033151272.db2.gz QAFGUUYIFQUZCI-BZUAXINKSA-N 1 2 342.439 3.631 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000934046761 1023689885 /nfs/dbraw/zinc/68/98/85/1023689885.db2.gz IRNXJQMDYHIOHL-UHFFFAOYSA-N 1 2 330.432 3.662 20 0 EHADLO CCc1nc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc(C)[nH+]1 ZINC000341992407 1023745416 /nfs/dbraw/zinc/74/54/16/1023745416.db2.gz IZKBTOMOKZWTPF-AWEZNQCLSA-N 1 2 346.425 3.509 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)n1 ZINC000594008696 1033158208 /nfs/dbraw/zinc/15/82/08/1033158208.db2.gz UOVKCFBUOGWEHR-ZIAGYGMSSA-N 1 2 332.473 3.577 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)n1 ZINC000594008696 1033158212 /nfs/dbraw/zinc/15/82/12/1033158212.db2.gz UOVKCFBUOGWEHR-ZIAGYGMSSA-N 1 2 332.473 3.577 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@]1=O ZINC000277142965 1023828875 /nfs/dbraw/zinc/82/88/75/1023828875.db2.gz JEVKLKCOJLELJT-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[S@]1=O ZINC000277142965 1023828881 /nfs/dbraw/zinc/82/88/81/1023828881.db2.gz JEVKLKCOJLELJT-BXKMTCNYSA-N 1 2 343.492 3.609 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C(C)C)on1 ZINC000277153334 1023891115 /nfs/dbraw/zinc/89/11/15/1023891115.db2.gz XCXMTOILENEPSV-UHFFFAOYSA-N 1 2 333.436 3.501 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2cc(F)ccc21 ZINC000342085467 1023893932 /nfs/dbraw/zinc/89/39/32/1023893932.db2.gz LDMTYXLNLJQBHU-OALUTQOASA-N 1 2 349.409 3.875 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884107 1023941648 /nfs/dbraw/zinc/94/16/48/1023941648.db2.gz AYNNJHLYEVJVSL-SJLPKXTDSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884107 1023941652 /nfs/dbraw/zinc/94/16/52/1023941652.db2.gz AYNNJHLYEVJVSL-SJLPKXTDSA-N 1 2 338.854 3.921 20 0 EHADLO CCCOc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000434329982 1023952804 /nfs/dbraw/zinc/95/28/04/1023952804.db2.gz HFSLJLYVBHUGPX-UHFFFAOYSA-N 1 2 349.434 3.634 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475012692 1023953822 /nfs/dbraw/zinc/95/38/22/1023953822.db2.gz JSWBAFTULXYUMB-UHFFFAOYSA-N 1 2 343.814 3.707 20 0 EHADLO c1ccc2c(c1)oc1ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)cc12 ZINC000895203678 1023963228 /nfs/dbraw/zinc/96/32/28/1023963228.db2.gz UOCLJGOKZHVBRZ-SFHVURJKSA-N 1 2 348.406 3.845 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000046469778 1033177865 /nfs/dbraw/zinc/17/78/65/1033177865.db2.gz MPWNSGMRTASOLP-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000192362673 1023995255 /nfs/dbraw/zinc/99/52/55/1023995255.db2.gz XNUGGUKIBFYKJN-OAHLLOKOSA-N 1 2 346.475 3.838 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000192351426 1023996430 /nfs/dbraw/zinc/99/64/30/1023996430.db2.gz MQOCVKZONMDIBI-DLBZAZTESA-N 1 2 334.508 3.693 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434394997 1024012215 /nfs/dbraw/zinc/01/22/15/1024012215.db2.gz OGHDFFRJMNETDB-CVEARBPZSA-N 1 2 346.519 3.933 20 0 EHADLO CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434394999 1024012286 /nfs/dbraw/zinc/01/22/86/1024012286.db2.gz OGHDFFRJMNETDB-HZPDHXFCSA-N 1 2 346.519 3.933 20 0 EHADLO O=C(Cc1ccccc1Cl)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513994164 1024022502 /nfs/dbraw/zinc/02/25/02/1024022502.db2.gz JONJEZOXCBEECW-QGZVFWFLSA-N 1 2 349.261 3.709 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000429679054 1024033169 /nfs/dbraw/zinc/03/31/69/1024033169.db2.gz DHHILXQYBHLPCP-QGZVFWFLSA-N 1 2 345.446 3.950 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000429679054 1024033185 /nfs/dbraw/zinc/03/31/85/1024033185.db2.gz DHHILXQYBHLPCP-QGZVFWFLSA-N 1 2 345.446 3.950 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1F ZINC000192956056 1024045864 /nfs/dbraw/zinc/04/58/64/1024045864.db2.gz FHVHLOIERCOTTD-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1F ZINC000192956056 1024045880 /nfs/dbraw/zinc/04/58/80/1024045880.db2.gz FHVHLOIERCOTTD-FQEVSTJZSA-N 1 2 327.399 3.508 20 0 EHADLO Cc1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400815 1024087771 /nfs/dbraw/zinc/08/77/71/1024087771.db2.gz RCLNOUMUDKLLOA-MEDUHNTESA-N 1 2 335.835 3.538 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH+]c12 ZINC000522238042 1024096052 /nfs/dbraw/zinc/09/60/52/1024096052.db2.gz RAWSYZVMPHZPNU-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C1=CCCCC1 ZINC000548514445 1024101147 /nfs/dbraw/zinc/10/11/47/1024101147.db2.gz RPRFLTAWRZKWJF-QGZVFWFLSA-N 1 2 330.476 3.584 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)c1 ZINC000514082610 1024114701 /nfs/dbraw/zinc/11/47/01/1024114701.db2.gz IBEDZUFBUWUSKP-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)c1 ZINC000514082610 1024114709 /nfs/dbraw/zinc/11/47/09/1024114709.db2.gz IBEDZUFBUWUSKP-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000514102951 1024132555 /nfs/dbraw/zinc/13/25/55/1024132555.db2.gz XOYYWLVGYCRGOX-WMLDXEAASA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000514102951 1024132567 /nfs/dbraw/zinc/13/25/67/1024132567.db2.gz XOYYWLVGYCRGOX-WMLDXEAASA-N 1 2 335.806 3.796 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000522275847 1024135002 /nfs/dbraw/zinc/13/50/02/1024135002.db2.gz DIOABGPACZNEQR-KRWDZBQOSA-N 1 2 346.519 3.686 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541138 1024151573 /nfs/dbraw/zinc/15/15/73/1024151573.db2.gz CFFXEVAZFFWXBH-YOEHRIQHSA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541138 1024151581 /nfs/dbraw/zinc/15/15/81/1024151581.db2.gz CFFXEVAZFFWXBH-YOEHRIQHSA-N 1 2 328.435 3.727 20 0 EHADLO Cc1ccccc1C1CC(N(C(=O)CCCn2cc[nH+]c2)C2CC2)C1 ZINC000607584752 1033191721 /nfs/dbraw/zinc/19/17/21/1033191721.db2.gz HTPMUGRAOFRTRB-UHFFFAOYSA-N 1 2 337.467 3.909 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346033979 1024204824 /nfs/dbraw/zinc/20/48/24/1024204824.db2.gz RFQDLCHSPMIOTP-ZIAGYGMSSA-N 1 2 330.378 3.781 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346033979 1024204840 /nfs/dbraw/zinc/20/48/40/1024204840.db2.gz RFQDLCHSPMIOTP-ZIAGYGMSSA-N 1 2 330.378 3.781 20 0 EHADLO Brc1cnc2[nH]c(-c3cc(-n4cc[nH+]c4)cs3)nc2c1 ZINC000342142467 1024232411 /nfs/dbraw/zinc/23/24/11/1024232411.db2.gz VHRUNLPQRLNAKC-UHFFFAOYSA-N 1 2 346.213 3.635 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329890070 1024237209 /nfs/dbraw/zinc/23/72/09/1024237209.db2.gz FNXZTOZIRKYUBR-HSMVNMDESA-N 1 2 347.846 3.950 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329890070 1024237224 /nfs/dbraw/zinc/23/72/24/1024237224.db2.gz FNXZTOZIRKYUBR-HSMVNMDESA-N 1 2 347.846 3.950 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@@H](C)C2CCCCC2)CC[NH2+]1 ZINC000505453054 1024238077 /nfs/dbraw/zinc/23/80/77/1024238077.db2.gz IDDUKJYBTRUAKG-APWZRJJASA-N 1 2 344.499 3.775 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)cc1C ZINC000329915027 1024248260 /nfs/dbraw/zinc/24/82/60/1024248260.db2.gz PLLKTDFYQOJDRE-RLFYNMQTSA-N 1 2 341.455 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)cc1C ZINC000329915027 1024248279 /nfs/dbraw/zinc/24/82/79/1024248279.db2.gz PLLKTDFYQOJDRE-RLFYNMQTSA-N 1 2 341.455 3.914 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000324158708 1024259633 /nfs/dbraw/zinc/25/96/33/1024259633.db2.gz ASXSXBYNYBKMHJ-HUUCEWRRSA-N 1 2 328.460 3.733 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)n1 ZINC000443631676 1024265348 /nfs/dbraw/zinc/26/53/48/1024265348.db2.gz RLXSKPCPKVRYKD-OAHLLOKOSA-N 1 2 348.903 3.563 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2ncccc21 ZINC000342161500 1024268012 /nfs/dbraw/zinc/26/80/12/1024268012.db2.gz IYERUNRLBUCGTP-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3nc4ccccc4o3)[C@H](C)C2)c(C)s1 ZINC000443631829 1024274068 /nfs/dbraw/zinc/27/40/68/1024274068.db2.gz RSBXCRMUOQKHOE-GFCCVEGCSA-N 1 2 342.468 3.612 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@H](C)C2)c(C)s1 ZINC000443631829 1024274081 /nfs/dbraw/zinc/27/40/81/1024274081.db2.gz RSBXCRMUOQKHOE-GFCCVEGCSA-N 1 2 342.468 3.612 20 0 EHADLO Cc1c(Br)cncc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000897833454 1033198746 /nfs/dbraw/zinc/19/87/46/1033198746.db2.gz KSWKTGHMHCCFQD-UHFFFAOYSA-N 1 2 347.260 3.628 20 0 EHADLO COCc1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cs1 ZINC000353244445 1024349706 /nfs/dbraw/zinc/34/97/06/1024349706.db2.gz URPIOLAZRNCRKQ-UHFFFAOYSA-N 1 2 348.859 3.623 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(-c3cccc(OC)c3)no2)o1 ZINC000897841373 1033205637 /nfs/dbraw/zinc/20/56/37/1033205637.db2.gz KLNGNWQCHJVEPK-UHFFFAOYSA-N 1 2 328.368 3.632 20 0 EHADLO c1ccc(-c2cncnc2N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000895353447 1024370228 /nfs/dbraw/zinc/37/02/28/1024370228.db2.gz UJRXTCLRSKTHJL-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000342198535 1024380650 /nfs/dbraw/zinc/38/06/50/1024380650.db2.gz GNOSTKNXZZAUPJ-GFCCVEGCSA-N 1 2 346.452 3.748 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnn3CC(C)C)c2)[nH+]c1C ZINC000843775180 1024390958 /nfs/dbraw/zinc/39/09/58/1024390958.db2.gz PZZBXRIQVZUMRU-UHFFFAOYSA-N 1 2 337.427 3.798 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(C)sc3C)CC2)cc1 ZINC000443673591 1024396550 /nfs/dbraw/zinc/39/65/50/1024396550.db2.gz KDIMWXOAPJTKNC-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CCSCC[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425198339 1024435852 /nfs/dbraw/zinc/43/58/52/1024435852.db2.gz XHINFTSMLYSWKV-GOEBONIOSA-N 1 2 331.485 3.580 20 0 EHADLO C[C@H](C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218748 1024443013 /nfs/dbraw/zinc/44/30/13/1024443013.db2.gz IREMXECDJDQNRY-CHWSQXEVSA-N 1 2 329.893 3.546 20 0 EHADLO C[C@H](C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218748 1024443021 /nfs/dbraw/zinc/44/30/21/1024443021.db2.gz IREMXECDJDQNRY-CHWSQXEVSA-N 1 2 329.893 3.546 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000346148183 1024449605 /nfs/dbraw/zinc/44/96/05/1024449605.db2.gz WJHMHINNIQEFTB-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1OC(F)F ZINC000346153684 1024455518 /nfs/dbraw/zinc/45/55/18/1024455518.db2.gz QPDUUGOCAWZVEQ-QWHCGFSZSA-N 1 2 349.381 3.699 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425224995 1024468877 /nfs/dbraw/zinc/46/88/77/1024468877.db2.gz FJTPGRDCPCTDKQ-FUHWJXTLSA-N 1 2 337.467 3.970 20 0 EHADLO C[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425224997 1024469618 /nfs/dbraw/zinc/46/96/18/1024469618.db2.gz FJTPGRDCPCTDKQ-WMZOPIPTSA-N 1 2 337.467 3.970 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434893304 1024474732 /nfs/dbraw/zinc/47/47/32/1024474732.db2.gz AOQVYVAAUBKCIJ-GOSISDBHSA-N 1 2 344.817 3.795 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434893304 1024474740 /nfs/dbraw/zinc/47/47/40/1024474740.db2.gz AOQVYVAAUBKCIJ-GOSISDBHSA-N 1 2 344.817 3.795 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425236623 1024486710 /nfs/dbraw/zinc/48/67/10/1024486710.db2.gz ONZSUHVKJNLXNR-RYRKJORJSA-N 1 2 325.456 3.969 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3ccnn3C3CCC3)CC23CCOCC3)c1 ZINC000895434109 1024496130 /nfs/dbraw/zinc/49/61/30/1024496130.db2.gz PTQWPIYDYHAWOR-SFHVURJKSA-N 1 2 327.428 3.555 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3ccnn3C3CCC3)CC23CCOCC3)c1 ZINC000895434109 1024496135 /nfs/dbraw/zinc/49/61/35/1024496135.db2.gz PTQWPIYDYHAWOR-SFHVURJKSA-N 1 2 327.428 3.555 20 0 EHADLO FC(F)n1ccnc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000102924193 1024510295 /nfs/dbraw/zinc/51/02/95/1024510295.db2.gz OCUTZSXDCYXMEA-UHFFFAOYSA-N 1 2 342.187 3.820 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536369545 1024536797 /nfs/dbraw/zinc/53/67/97/1024536797.db2.gz QMMQZYPKOBMQFZ-SFHVURJKSA-N 1 2 342.508 3.662 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000536369545 1024536808 /nfs/dbraw/zinc/53/68/08/1024536808.db2.gz QMMQZYPKOBMQFZ-SFHVURJKSA-N 1 2 342.508 3.662 20 0 EHADLO c1cc(-c2ccc(C[N@@H+]3CCO[C@@H](CCc4ccccc4)C3)o2)n[nH]1 ZINC000434984790 1024540109 /nfs/dbraw/zinc/54/01/09/1024540109.db2.gz BZQSUJLFCVUMBA-KRWDZBQOSA-N 1 2 337.423 3.503 20 0 EHADLO c1cc(-c2ccc(C[N@H+]3CCO[C@@H](CCc4ccccc4)C3)o2)n[nH]1 ZINC000434984790 1024540120 /nfs/dbraw/zinc/54/01/20/1024540120.db2.gz BZQSUJLFCVUMBA-KRWDZBQOSA-N 1 2 337.423 3.503 20 0 EHADLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428808 1024558804 /nfs/dbraw/zinc/55/88/04/1024558804.db2.gz NUUDPDVUBCIDNU-QWRGUYRKSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143428808 1024558813 /nfs/dbraw/zinc/55/88/13/1024558813.db2.gz NUUDPDVUBCIDNU-QWRGUYRKSA-N 1 2 337.769 3.831 20 0 EHADLO CC(C)c1ccc(CCNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000514564927 1024569208 /nfs/dbraw/zinc/56/92/08/1024569208.db2.gz PGWRJCHPRZTSAS-UHFFFAOYSA-N 1 2 340.471 3.549 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000281036692 1024583048 /nfs/dbraw/zinc/58/30/48/1024583048.db2.gz GNIQXLOTIZEYKN-GOSISDBHSA-N 1 2 341.503 3.870 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000281036692 1024583056 /nfs/dbraw/zinc/58/30/56/1024583056.db2.gz GNIQXLOTIZEYKN-GOSISDBHSA-N 1 2 341.503 3.870 20 0 EHADLO CCn1nccc1C1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000282589564 1024598455 /nfs/dbraw/zinc/59/84/55/1024598455.db2.gz WXMICWOFZGJNQU-UHFFFAOYSA-N 1 2 339.270 3.984 20 0 EHADLO CSc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c(C)o1 ZINC000665398123 1024606295 /nfs/dbraw/zinc/60/62/95/1024606295.db2.gz ZXKISGHDKYAYRB-UHFFFAOYSA-N 1 2 344.480 3.576 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895575011 1024619884 /nfs/dbraw/zinc/61/98/84/1024619884.db2.gz RLLZYHLPAZHEBV-ZDUSSCGKSA-N 1 2 334.725 3.634 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000895575011 1024619891 /nfs/dbraw/zinc/61/98/91/1024619891.db2.gz RLLZYHLPAZHEBV-ZDUSSCGKSA-N 1 2 334.725 3.634 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346310891 1024635791 /nfs/dbraw/zinc/63/57/91/1024635791.db2.gz GFBGQGOVKYMHAG-IBGZPJMESA-N 1 2 341.499 3.698 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346310891 1024635795 /nfs/dbraw/zinc/63/57/95/1024635795.db2.gz GFBGQGOVKYMHAG-IBGZPJMESA-N 1 2 341.499 3.698 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000895617692 1024662793 /nfs/dbraw/zinc/66/27/93/1024662793.db2.gz USSNRVODQAJDMB-UHFFFAOYSA-N 1 2 345.187 3.876 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OC3CCCC3)cc2)c[nH+]1 ZINC000895626562 1024671312 /nfs/dbraw/zinc/67/13/12/1024671312.db2.gz OJTXFECRVSQDAC-UHFFFAOYSA-N 1 2 327.428 3.887 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C3CCC3)c2)[C@@H](C)CO1 ZINC000892098484 1024675010 /nfs/dbraw/zinc/67/50/10/1024675010.db2.gz FFVICIYPEDSKQY-JXFKEZNVSA-N 1 2 325.456 3.879 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)[C@@H](C)CO1 ZINC000892098484 1024675017 /nfs/dbraw/zinc/67/50/17/1024675017.db2.gz FFVICIYPEDSKQY-JXFKEZNVSA-N 1 2 325.456 3.879 20 0 EHADLO CCOc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000514734033 1024708482 /nfs/dbraw/zinc/70/84/82/1024708482.db2.gz XXVFGCCBIJVZIT-LLVKDONJSA-N 1 2 341.333 3.890 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(C3CCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000892103560 1024716586 /nfs/dbraw/zinc/71/65/86/1024716586.db2.gz YXIMRORGMYJNHM-IFXJQAMLSA-N 1 2 329.419 3.709 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000892103560 1024716601 /nfs/dbraw/zinc/71/66/01/1024716601.db2.gz YXIMRORGMYJNHM-IFXJQAMLSA-N 1 2 329.419 3.709 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc(/C=C/C(=O)OC)o1 ZINC000895687395 1024720448 /nfs/dbraw/zinc/72/04/48/1024720448.db2.gz AYDROVCQLDTEMH-CMDGGOBGSA-N 1 2 332.425 3.726 20 0 EHADLO c1cn(Cc2cccc(-c3nc(-c4n[nH]c5ccccc54)no3)c2)c[nH+]1 ZINC000346429554 1024727481 /nfs/dbraw/zinc/72/74/81/1024727481.db2.gz BDPZHUPWYMCBPD-UHFFFAOYSA-N 1 2 342.362 3.525 20 0 EHADLO CC(C)[C@@H]1N(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425315379 1024752028 /nfs/dbraw/zinc/75/20/28/1024752028.db2.gz OJPIFUBFYWUHHM-HKUYNNGSSA-N 1 2 337.467 3.969 20 0 EHADLO CC(C)n1cncc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000425324839 1024754210 /nfs/dbraw/zinc/75/42/10/1024754210.db2.gz LETJKWCDBWILFE-LJQANCHMSA-N 1 2 331.435 3.784 20 0 EHADLO CC(C)n1cncc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000425324839 1024754218 /nfs/dbraw/zinc/75/42/18/1024754218.db2.gz LETJKWCDBWILFE-LJQANCHMSA-N 1 2 331.435 3.784 20 0 EHADLO COc1ccc2c(c1)N(Cc1ccc(-n3cc[nH+]c3)cc1C)C[C@@H](C)O2 ZINC001167509522 1024774215 /nfs/dbraw/zinc/77/42/15/1024774215.db2.gz OLMJINGBUMAIID-MRXNPFEDSA-N 1 2 349.434 3.977 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000505661231 1024778968 /nfs/dbraw/zinc/77/89/68/1024778968.db2.gz MMGZFFYCURTDPD-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000505661231 1024778977 /nfs/dbraw/zinc/77/89/77/1024778977.db2.gz MMGZFFYCURTDPD-AWEZNQCLSA-N 1 2 326.831 3.904 20 0 EHADLO COC(=O)[C@H](NCc1c[nH+]cn1C(C)C)c1ccc2ccccc2c1 ZINC000425336702 1024780160 /nfs/dbraw/zinc/78/01/60/1024780160.db2.gz LORGWPKWKNFRGV-LJQANCHMSA-N 1 2 337.423 3.621 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000505662153 1024781891 /nfs/dbraw/zinc/78/18/91/1024781891.db2.gz OXJNBIDVTTXVTJ-KSSFIOAISA-N 1 2 344.430 3.680 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000505662153 1024781901 /nfs/dbraw/zinc/78/19/01/1024781901.db2.gz OXJNBIDVTTXVTJ-KSSFIOAISA-N 1 2 344.430 3.680 20 0 EHADLO O[C@@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141838067 1024784810 /nfs/dbraw/zinc/78/48/10/1024784810.db2.gz ZSRNACHWDCGYJF-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO O[C@@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141838067 1024784868 /nfs/dbraw/zinc/78/48/68/1024784868.db2.gz ZSRNACHWDCGYJF-SNVBAGLBSA-N 1 2 336.632 3.588 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000514862313 1024794710 /nfs/dbraw/zinc/79/47/10/1024794710.db2.gz HTWHOWSECCIKAX-UXPWSPDFSA-N 1 2 341.499 3.503 20 0 EHADLO Cc1c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)oc2c1c(C)ccc2C ZINC000594181225 1033237052 /nfs/dbraw/zinc/23/70/52/1033237052.db2.gz XMIPJJZEMULRBZ-UHFFFAOYSA-N 1 2 336.391 3.656 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000363792610 1024843384 /nfs/dbraw/zinc/84/33/84/1024843384.db2.gz WPFCIYRSWXDMJW-LLVKDONJSA-N 1 2 342.178 3.596 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548707 1024856425 /nfs/dbraw/zinc/85/64/25/1024856425.db2.gz DURWIHMWBDHHEA-ROUUACIJSA-N 1 2 340.471 3.534 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)cn1 ZINC000895854268 1024914483 /nfs/dbraw/zinc/91/44/83/1024914483.db2.gz LGVLLMHCQVBFIW-UHFFFAOYSA-N 1 2 337.427 3.572 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)c[nH+]1 ZINC000895854268 1024914497 /nfs/dbraw/zinc/91/44/97/1024914497.db2.gz LGVLLMHCQVBFIW-UHFFFAOYSA-N 1 2 337.427 3.572 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761052409 1033246629 /nfs/dbraw/zinc/24/66/29/1033246629.db2.gz OIDXMHFDAGNOLG-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761052409 1033246644 /nfs/dbraw/zinc/24/66/44/1033246644.db2.gz OIDXMHFDAGNOLG-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO CCC[C@@](C)(CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474424785 1024941497 /nfs/dbraw/zinc/94/14/97/1024941497.db2.gz DAUGDHVMZYCTTN-HXUWFJFHSA-N 1 2 346.519 3.773 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000157531344 1024944360 /nfs/dbraw/zinc/94/43/60/1024944360.db2.gz QZIUHHNJIBDDKD-UHFFFAOYSA-N 1 2 331.485 3.554 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000157531344 1024944368 /nfs/dbraw/zinc/94/43/68/1024944368.db2.gz QZIUHHNJIBDDKD-UHFFFAOYSA-N 1 2 331.485 3.554 20 0 EHADLO CC(C)[C@@H]1C[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000346606953 1024947461 /nfs/dbraw/zinc/94/74/61/1024947461.db2.gz KAYSLOIHZYLMQF-GJYPPUQNSA-N 1 2 337.467 3.631 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1cccs1 ZINC000068406816 1024961562 /nfs/dbraw/zinc/96/15/62/1024961562.db2.gz NHVACTDIBMPVGH-KRWDZBQOSA-N 1 2 341.480 3.610 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474435849 1024965783 /nfs/dbraw/zinc/96/57/83/1024965783.db2.gz BVGXUDCESPLDGW-HNNXBMFYSA-N 1 2 336.794 3.816 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474435849 1024965799 /nfs/dbraw/zinc/96/57/99/1024965799.db2.gz BVGXUDCESPLDGW-HNNXBMFYSA-N 1 2 336.794 3.816 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120075367 1033252849 /nfs/dbraw/zinc/25/28/49/1033252849.db2.gz SOZPTOQCJJNBMJ-IAGOWNOFSA-N 1 2 334.508 3.743 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000281390866 1024993091 /nfs/dbraw/zinc/99/30/91/1024993091.db2.gz WSYFNRKXFNBVSJ-HNNXBMFYSA-N 1 2 328.441 3.864 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000281390866 1024993103 /nfs/dbraw/zinc/99/31/03/1024993103.db2.gz WSYFNRKXFNBVSJ-HNNXBMFYSA-N 1 2 328.441 3.864 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1F ZINC000346666497 1025002590 /nfs/dbraw/zinc/00/25/90/1025002590.db2.gz GDYKZWZIVRXJSU-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc(C)c1O ZINC000515093493 1025013996 /nfs/dbraw/zinc/01/39/96/1025013996.db2.gz KMKMZBQJDOBGBS-GOSISDBHSA-N 1 2 333.378 3.861 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc(C)c1O ZINC000515093493 1025014004 /nfs/dbraw/zinc/01/40/04/1025014004.db2.gz KMKMZBQJDOBGBS-GOSISDBHSA-N 1 2 333.378 3.861 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000515096870 1025017907 /nfs/dbraw/zinc/01/79/07/1025017907.db2.gz WZSLXZINNXQXNM-GDBMZVCRSA-N 1 2 338.386 3.931 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(F)cc2Cl)c1C ZINC000346696602 1025021826 /nfs/dbraw/zinc/02/18/26/1025021826.db2.gz SEHNZSSMUUBPPG-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO COCC1C[NH+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000895969912 1025024820 /nfs/dbraw/zinc/02/48/20/1025024820.db2.gz RRPSSUCHVPTJSC-UHFFFAOYSA-N 1 2 338.167 3.546 20 0 EHADLO COCC1C[NH+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)C1 ZINC000895971219 1025026992 /nfs/dbraw/zinc/02/69/92/1025026992.db2.gz ITJRGBRTYILSDM-UHFFFAOYSA-N 1 2 340.254 3.566 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417410 1025033790 /nfs/dbraw/zinc/03/37/90/1025033790.db2.gz ONZUQXPBBQNHEL-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCCO1 ZINC000281417410 1025033804 /nfs/dbraw/zinc/03/38/04/1025033804.db2.gz ONZUQXPBBQNHEL-CZUORRHYSA-N 1 2 349.862 3.876 20 0 EHADLO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cn1 ZINC000657314936 1025054417 /nfs/dbraw/zinc/05/44/17/1025054417.db2.gz HRXGCDCOIQWWQE-UHFFFAOYSA-N 1 2 338.411 3.594 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)o1 ZINC000346736305 1025071381 /nfs/dbraw/zinc/07/13/81/1025071381.db2.gz VYFGGFFBPDGHOS-HNNXBMFYSA-N 1 2 345.406 3.773 20 0 EHADLO COc1ccc(CN(Cc2ccccc2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000346781804 1025093391 /nfs/dbraw/zinc/09/33/91/1025093391.db2.gz ULRLZWXTQRRMRB-UHFFFAOYSA-N 1 2 349.434 3.511 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000342375359 1025100637 /nfs/dbraw/zinc/10/06/37/1025100637.db2.gz VJODGSFRQIIWPO-OAHLLOKOSA-N 1 2 344.405 3.792 20 0 EHADLO CNc1[nH+]cnc2c1cnn2Cc1sc2ccccc2c1Cl ZINC000435791237 1025139342 /nfs/dbraw/zinc/13/93/42/1025139342.db2.gz QCUYXFQYWXUVMI-UHFFFAOYSA-N 1 2 329.816 3.784 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)C(C)C ZINC000119666506 1025150458 /nfs/dbraw/zinc/15/04/58/1025150458.db2.gz YFUUMVSFAPNAAX-NRFANRHFSA-N 1 2 339.483 3.654 20 0 EHADLO C[C@@H](CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000515303909 1025163395 /nfs/dbraw/zinc/16/33/95/1025163395.db2.gz MRKVLLGBDZDLTH-AWEZNQCLSA-N 1 2 329.419 3.600 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@@]1=O ZINC000277456273 1025165606 /nfs/dbraw/zinc/16/56/06/1025165606.db2.gz KFOYDFGLEFUDNI-XMHCIUCPSA-N 1 2 337.485 3.897 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC[S@@]1=O ZINC000277456273 1025165608 /nfs/dbraw/zinc/16/56/08/1025165608.db2.gz KFOYDFGLEFUDNI-XMHCIUCPSA-N 1 2 337.485 3.897 20 0 EHADLO FC1(F)[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@@H]1c1ccccc1 ZINC000896130951 1025165920 /nfs/dbraw/zinc/16/59/20/1025165920.db2.gz DBAYBFIYKAXZME-YOEHRIQHSA-N 1 2 330.382 3.538 20 0 EHADLO FC1(F)[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000896130951 1025165925 /nfs/dbraw/zinc/16/59/25/1025165925.db2.gz DBAYBFIYKAXZME-YOEHRIQHSA-N 1 2 330.382 3.538 20 0 EHADLO O=C(c1cc2c(cncc2Cl)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000896133574 1025175031 /nfs/dbraw/zinc/17/50/31/1025175031.db2.gz PVFZRNXGENLUBM-SNVBAGLBSA-N 1 2 346.843 3.693 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000665437858 1025189492 /nfs/dbraw/zinc/18/94/92/1025189492.db2.gz NCMLNWOIKIQGRB-VAMGGRTRSA-N 1 2 345.446 3.624 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(F)cc3OCC3CC3)ccn12 ZINC000515355279 1025191362 /nfs/dbraw/zinc/19/13/62/1025191362.db2.gz FODCPKAEOAKWDT-UHFFFAOYSA-N 1 2 339.370 3.823 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000444045468 1025206573 /nfs/dbraw/zinc/20/65/73/1025206573.db2.gz LGHKPKMMZWUBNE-MCIONIFRSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000444045468 1025206585 /nfs/dbraw/zinc/20/65/85/1025206585.db2.gz LGHKPKMMZWUBNE-MCIONIFRSA-N 1 2 336.505 3.685 20 0 EHADLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)Nc1ccc(F)c(Cl)c1 ZINC000511071320 1025220744 /nfs/dbraw/zinc/22/07/44/1025220744.db2.gz CNFYYYPBIOQKPK-UHFFFAOYSA-N 1 2 334.778 3.800 20 0 EHADLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)Nc1ccc(F)c(Cl)c1 ZINC000511071320 1025220749 /nfs/dbraw/zinc/22/07/49/1025220749.db2.gz CNFYYYPBIOQKPK-UHFFFAOYSA-N 1 2 334.778 3.800 20 0 EHADLO CCCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1OCCC ZINC000346837892 1025226966 /nfs/dbraw/zinc/22/69/66/1025226966.db2.gz DRINOZXJZLSWOP-UHFFFAOYSA-N 1 2 328.412 3.642 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC000521180836 1025256541 /nfs/dbraw/zinc/25/65/41/1025256541.db2.gz IESVGYUSZXJZCW-HNNXBMFYSA-N 1 2 339.222 3.940 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(-c3ccccn3)nc2)o1 ZINC000425429817 1025262790 /nfs/dbraw/zinc/26/27/90/1025262790.db2.gz BFBDEJXFIVXYOU-IBGZPJMESA-N 1 2 337.423 3.776 20 0 EHADLO C[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000474641250 1025268927 /nfs/dbraw/zinc/26/89/27/1025268927.db2.gz OIVGXFATMJKYNY-HNNXBMFYSA-N 1 2 342.870 3.618 20 0 EHADLO C[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000474641250 1025268941 /nfs/dbraw/zinc/26/89/41/1025268941.db2.gz OIVGXFATMJKYNY-HNNXBMFYSA-N 1 2 342.870 3.618 20 0 EHADLO CC(C)[N@H+](CC(=O)NCCCc1ccccc1)Cc1ccccc1F ZINC000521195708 1025269916 /nfs/dbraw/zinc/26/99/16/1025269916.db2.gz PWSAUOIOIXPNCU-UHFFFAOYSA-N 1 2 342.458 3.785 20 0 EHADLO CC(C)[N@@H+](CC(=O)NCCCc1ccccc1)Cc1ccccc1F ZINC000521195708 1025269921 /nfs/dbraw/zinc/26/99/21/1025269921.db2.gz PWSAUOIOIXPNCU-UHFFFAOYSA-N 1 2 342.458 3.785 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@@H](C)CC3)cn2c1 ZINC000474649423 1025273059 /nfs/dbraw/zinc/27/30/59/1025273059.db2.gz JIAJTGNLPMOQGM-ZBFHGGJFSA-N 1 2 345.512 3.961 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3cccc(Cl)c3)[nH+]c12 ZINC000521243927 1025281780 /nfs/dbraw/zinc/28/17/80/1025281780.db2.gz MBLTUZJUMVCZBY-CYBMUJFWSA-N 1 2 327.815 3.716 20 0 EHADLO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000281618364 1025284287 /nfs/dbraw/zinc/28/42/87/1025284287.db2.gz NLKBXBDUDFSLMZ-PKOBYXMFSA-N 1 2 339.483 3.957 20 0 EHADLO CCc1nnc([C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CCO2)[nH]1 ZINC000129103791 1033272541 /nfs/dbraw/zinc/27/25/41/1033272541.db2.gz KJHPYOZSQWKGEP-IBGZPJMESA-N 1 2 348.450 3.608 20 0 EHADLO CCc1nnc([C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CCO2)[nH]1 ZINC000129103791 1033272555 /nfs/dbraw/zinc/27/25/55/1033272555.db2.gz KJHPYOZSQWKGEP-IBGZPJMESA-N 1 2 348.450 3.608 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1F ZINC000521253293 1025301538 /nfs/dbraw/zinc/30/15/38/1025301538.db2.gz XNTHIIKGTBZNHV-PXAZEXFGSA-N 1 2 347.409 3.627 20 0 EHADLO Cc1nc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)sc1C ZINC000895159518 1025312513 /nfs/dbraw/zinc/31/25/13/1025312513.db2.gz DQHFDUREBQPXHX-INIZCTEOSA-N 1 2 326.469 3.567 20 0 EHADLO CCCCOc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)c(Cl)c1 ZINC000346937186 1025329877 /nfs/dbraw/zinc/32/98/77/1025329877.db2.gz LHLCQAOJYBRPST-UHFFFAOYSA-N 1 2 346.818 3.893 20 0 EHADLO COc1ccccc1-n1nccc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000281656792 1025338753 /nfs/dbraw/zinc/33/87/53/1025338753.db2.gz NHDKNPZIXSJKLC-UHFFFAOYSA-N 1 2 340.452 3.505 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000152207908 1025341336 /nfs/dbraw/zinc/34/13/36/1025341336.db2.gz NPZFEFXPPDUXCB-HACGYAERSA-N 1 2 346.500 3.915 20 0 EHADLO Cc1nc(C(C)C)oc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000428252958 1025358303 /nfs/dbraw/zinc/35/83/03/1025358303.db2.gz NFMSDNGCDXLDMZ-YFHOEESVSA-N 1 2 339.483 3.937 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000428252958 1025358316 /nfs/dbraw/zinc/35/83/16/1025358316.db2.gz NFMSDNGCDXLDMZ-YFHOEESVSA-N 1 2 339.483 3.937 20 0 EHADLO C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000607746627 1033278143 /nfs/dbraw/zinc/27/81/43/1033278143.db2.gz CQPKIDHZGXRKBY-KUHUBIRLSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000607746627 1033278156 /nfs/dbraw/zinc/27/81/56/1033278156.db2.gz CQPKIDHZGXRKBY-KUHUBIRLSA-N 1 2 333.378 3.806 20 0 EHADLO O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152219481 1025363239 /nfs/dbraw/zinc/36/32/39/1025363239.db2.gz RUOFNWNHVFMLJM-CRAIPNDOSA-N 1 2 343.858 3.757 20 0 EHADLO c1ccc(C[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cc1 ZINC000425459132 1025363383 /nfs/dbraw/zinc/36/33/83/1025363383.db2.gz OHXVPIRTNFHNLE-HXUWFJFHSA-N 1 2 345.446 3.587 20 0 EHADLO c1ccc(C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)cc1 ZINC000425459132 1025363395 /nfs/dbraw/zinc/36/33/95/1025363395.db2.gz OHXVPIRTNFHNLE-HXUWFJFHSA-N 1 2 345.446 3.587 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccn1 ZINC000346971877 1025368933 /nfs/dbraw/zinc/36/89/33/1025368933.db2.gz IZHJVCHQERSTNS-CYBMUJFWSA-N 1 2 349.360 3.774 20 0 EHADLO CCc1noc([C@@H]2CC[C@@H](Nc3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000896350313 1025372614 /nfs/dbraw/zinc/37/26/14/1025372614.db2.gz SIZHVZHHLSMGMI-CHWSQXEVSA-N 1 2 348.410 3.576 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CC[C@@H](C)C3)cn2c1 ZINC000346974227 1025373454 /nfs/dbraw/zinc/37/34/54/1025373454.db2.gz IRNXWJIWXMAOFR-CJNGLKHVSA-N 1 2 331.485 3.523 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncnn1CCF)c1ccc(Cl)cc1F ZINC000281715896 1025402812 /nfs/dbraw/zinc/40/28/12/1025402812.db2.gz UYPHVGHHTDBODJ-HNNXBMFYSA-N 1 2 328.794 3.527 20 0 EHADLO CC(C)[C@@H](O)[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000664529225 1025409823 /nfs/dbraw/zinc/40/98/23/1025409823.db2.gz AGBTUBOWIPEEPC-VQTJNVASSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@@H](O)[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000664529225 1025409830 /nfs/dbraw/zinc/40/98/30/1025409830.db2.gz AGBTUBOWIPEEPC-VQTJNVASSA-N 1 2 340.471 3.637 20 0 EHADLO CCc1nc(CCNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)sc1C ZINC000347013765 1025410067 /nfs/dbraw/zinc/41/00/67/1025410067.db2.gz TVCPOQPIPNHATL-ZDUSSCGKSA-N 1 2 345.516 3.695 20 0 EHADLO CCc1nc(CCNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)sc1C ZINC000347013765 1025410072 /nfs/dbraw/zinc/41/00/72/1025410072.db2.gz TVCPOQPIPNHATL-ZDUSSCGKSA-N 1 2 345.516 3.695 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000892203442 1025411937 /nfs/dbraw/zinc/41/19/37/1025411937.db2.gz DPQQMVJWMFLLQX-LFVRLGFBSA-N 1 2 331.485 3.539 20 0 EHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000892203442 1025411952 /nfs/dbraw/zinc/41/19/52/1025411952.db2.gz DPQQMVJWMFLLQX-LFVRLGFBSA-N 1 2 331.485 3.539 20 0 EHADLO OC1CCC(CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000664528740 1025413152 /nfs/dbraw/zinc/41/31/52/1025413152.db2.gz QQXNTLYTMQBWIM-UHFFFAOYSA-N 1 2 335.245 3.960 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC000896424314 1025437451 /nfs/dbraw/zinc/43/74/51/1025437451.db2.gz NVDBAOREOLDRNC-HXUWFJFHSA-N 1 2 340.423 3.759 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)C)nc2C)s1 ZINC000425485780 1025442489 /nfs/dbraw/zinc/44/24/89/1025442489.db2.gz KFINABPKDMHIKH-GFCCVEGCSA-N 1 2 333.457 3.607 20 0 EHADLO Cc1c[nH+]c(N2Cc3ccccc3C2)nc1N1Cc2ccccc2C1 ZINC000444086892 1025443453 /nfs/dbraw/zinc/44/34/53/1025443453.db2.gz PJYLJYFSLSPSPU-UHFFFAOYSA-N 1 2 328.419 3.825 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000473570639 1025455658 /nfs/dbraw/zinc/45/56/58/1025455658.db2.gz LTKPPOAVHHXGKF-KOMQPUFPSA-N 1 2 329.419 3.844 20 0 EHADLO Cc1ccc([C@@H](Nc2cc(NC3CC3)[nH+]cn2)c2ccccn2)cc1 ZINC000521579279 1025491487 /nfs/dbraw/zinc/49/14/87/1025491487.db2.gz XWQUEHPJCXBXEI-HXUWFJFHSA-N 1 2 331.423 3.956 20 0 EHADLO Cc1ccc([C@@H](Nc2cc(NC3CC3)nc[nH+]2)c2ccccn2)cc1 ZINC000521579279 1025491502 /nfs/dbraw/zinc/49/15/02/1025491502.db2.gz XWQUEHPJCXBXEI-HXUWFJFHSA-N 1 2 331.423 3.956 20 0 EHADLO CCCC1CC[NH+](Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC001167554729 1025544317 /nfs/dbraw/zinc/54/43/17/1025544317.db2.gz SPOBWPQZMUGFIF-UHFFFAOYSA-N 1 2 340.475 3.518 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC000451118188 1025554724 /nfs/dbraw/zinc/55/47/24/1025554724.db2.gz XQEWAEDCGMLCQD-QUCCMNQESA-N 1 2 348.462 3.573 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000451118188 1025554741 /nfs/dbraw/zinc/55/47/41/1025554741.db2.gz XQEWAEDCGMLCQD-QUCCMNQESA-N 1 2 348.462 3.573 20 0 EHADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000522476178 1025564931 /nfs/dbraw/zinc/56/49/31/1025564931.db2.gz XEDGLLYVIFIVHV-SFHVURJKSA-N 1 2 344.455 3.863 20 0 EHADLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000442885906 1025568900 /nfs/dbraw/zinc/56/89/00/1025568900.db2.gz MQQWWIWGGOOJSQ-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CCO1 ZINC000442885906 1025568906 /nfs/dbraw/zinc/56/89/06/1025568906.db2.gz MQQWWIWGGOOJSQ-IERDGZPVSA-N 1 2 340.467 3.518 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000425514697 1025574136 /nfs/dbraw/zinc/57/41/36/1025574136.db2.gz QWWKFLBWXYYYIO-SFHVURJKSA-N 1 2 334.391 3.521 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000425514697 1025574147 /nfs/dbraw/zinc/57/41/47/1025574147.db2.gz QWWKFLBWXYYYIO-SFHVURJKSA-N 1 2 334.391 3.521 20 0 EHADLO OC[C@@]1([NH2+]Cc2nc(Cl)ccc2Cl)CCCc2ccccc21 ZINC000281834367 1025579728 /nfs/dbraw/zinc/57/97/28/1025579728.db2.gz XZCZEQHTYDYSNT-KRWDZBQOSA-N 1 2 337.250 3.702 20 0 EHADLO Cc1ccsc1CCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347134779 1025580869 /nfs/dbraw/zinc/58/08/69/1025580869.db2.gz SIXQTUBSEIPJQV-UHFFFAOYSA-N 1 2 331.485 3.571 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000281837053 1025583831 /nfs/dbraw/zinc/58/38/31/1025583831.db2.gz HRSUZHRBCPJNMB-LBTNJELSSA-N 1 2 339.439 3.638 20 0 EHADLO CC[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000119708100 1025670948 /nfs/dbraw/zinc/67/09/48/1025670948.db2.gz JQZDRMOSGPTXRA-QZTJIDSGSA-N 1 2 339.483 3.785 20 0 EHADLO Cn1cnnc1C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000152348259 1025692813 /nfs/dbraw/zinc/69/28/13/1025692813.db2.gz VGSIIWLKJVKNJS-KRWDZBQOSA-N 1 2 344.821 3.681 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639494534 1025715662 /nfs/dbraw/zinc/71/56/62/1025715662.db2.gz BDFJXFCASBVIAJ-CYBMUJFWSA-N 1 2 325.437 3.827 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639494534 1025715676 /nfs/dbraw/zinc/71/56/76/1025715676.db2.gz BDFJXFCASBVIAJ-CYBMUJFWSA-N 1 2 325.437 3.827 20 0 EHADLO CC(C)c1csc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000530381173 1025715947 /nfs/dbraw/zinc/71/59/47/1025715947.db2.gz HRSKHQWUCDFUOQ-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO CC(C)c1csc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000530381173 1025715965 /nfs/dbraw/zinc/71/59/65/1025715965.db2.gz HRSKHQWUCDFUOQ-LLVKDONJSA-N 1 2 332.473 3.857 20 0 EHADLO Cc1nc(-c2cc([C@@H](C)[NH2+][C@H](C)c3ncnn3C)cs2)cs1 ZINC000530385932 1025733159 /nfs/dbraw/zinc/73/31/59/1025733159.db2.gz CPYUVBXVNMZLNR-NXEZZACHSA-N 1 2 333.486 3.720 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347260167 1025752811 /nfs/dbraw/zinc/75/28/11/1025752811.db2.gz DMADMVOQTDKZAC-CQSZACIVSA-N 1 2 329.469 3.544 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469764777 1025756516 /nfs/dbraw/zinc/75/65/16/1025756516.db2.gz PUTOMGMEOQSOTM-BDXSIMOUSA-N 1 2 332.492 3.835 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Cl)cc2C)c1C ZINC000051582962 1025807305 /nfs/dbraw/zinc/80/73/05/1025807305.db2.gz UDLDTVXGTFKJLE-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(N2CCCC2)c1 ZINC000342483554 1025810533 /nfs/dbraw/zinc/81/05/33/1025810533.db2.gz RVJFQWAWJZBYOQ-MRXNPFEDSA-N 1 2 337.471 3.850 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(N2CCCC2)c1 ZINC000342483554 1025810554 /nfs/dbraw/zinc/81/05/54/1025810554.db2.gz RVJFQWAWJZBYOQ-MRXNPFEDSA-N 1 2 337.471 3.850 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(N2CCCC2)c1 ZINC000342483549 1025811495 /nfs/dbraw/zinc/81/14/95/1025811495.db2.gz RVJFQWAWJZBYOQ-INIZCTEOSA-N 1 2 337.471 3.850 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(N2CCCC2)c1 ZINC000342483549 1025811515 /nfs/dbraw/zinc/81/15/15/1025811515.db2.gz RVJFQWAWJZBYOQ-INIZCTEOSA-N 1 2 337.471 3.850 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc4c3CC[C@H](C)C4)n2)C1 ZINC000329404835 1025816104 /nfs/dbraw/zinc/81/61/04/1025816104.db2.gz ZBARAIPYGPETOD-WFASDCNBSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc4c3CC[C@H](C)C4)n2)C1 ZINC000329404835 1025816119 /nfs/dbraw/zinc/81/61/19/1025816119.db2.gz ZBARAIPYGPETOD-WFASDCNBSA-N 1 2 347.484 3.705 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(Cl)c2F)c1C ZINC000051585438 1025832234 /nfs/dbraw/zinc/83/22/34/1025832234.db2.gz ARJATDRDNGXAQD-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO O=S(=O)(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(C(F)F)cc1 ZINC000342489114 1025835900 /nfs/dbraw/zinc/83/59/00/1025835900.db2.gz IZVUJJACGPRCOP-UHFFFAOYSA-N 1 2 349.362 3.815 20 0 EHADLO CC(C)COCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425581276 1025858490 /nfs/dbraw/zinc/85/84/90/1025858490.db2.gz ZAXKPSNUTIHJDP-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO Cc1cccc(C)c1OCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000664567132 1025877649 /nfs/dbraw/zinc/87/76/49/1025877649.db2.gz OZKSNTNVYKJQLL-UHFFFAOYSA-N 1 2 337.370 3.672 20 0 EHADLO COC1(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000516018959 1025894494 /nfs/dbraw/zinc/89/44/94/1025894494.db2.gz YGRPPNOCPOCJIX-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(CC[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000516018959 1025894523 /nfs/dbraw/zinc/89/45/23/1025894523.db2.gz YGRPPNOCPOCJIX-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376334 1025907829 /nfs/dbraw/zinc/90/78/29/1025907829.db2.gz MBAGRENCJJRCAY-HNNXBMFYSA-N 1 2 325.456 3.665 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376334 1025907843 /nfs/dbraw/zinc/90/78/43/1025907843.db2.gz MBAGRENCJJRCAY-HNNXBMFYSA-N 1 2 325.456 3.665 20 0 EHADLO C[C@@]1(CO)CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141910166 1025932646 /nfs/dbraw/zinc/93/26/46/1025932646.db2.gz KVTGHCAMOMYEAV-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141910166 1025932655 /nfs/dbraw/zinc/93/26/55/1025932655.db2.gz KVTGHCAMOMYEAV-OAHLLOKOSA-N 1 2 348.231 3.712 20 0 EHADLO CCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(OC(C)C)c1 ZINC000896910925 1025943841 /nfs/dbraw/zinc/94/38/41/1025943841.db2.gz HDUDVMCCTSKLGO-UHFFFAOYSA-N 1 2 345.443 3.533 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000436617763 1025947963 /nfs/dbraw/zinc/94/79/63/1025947963.db2.gz JJCAWMNDDLMUSL-KSSFIOAISA-N 1 2 341.455 3.744 20 0 EHADLO CCc1noc(C)c1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000516073622 1025950417 /nfs/dbraw/zinc/95/04/17/1025950417.db2.gz YCZDKRJZTNPRJX-OAHLLOKOSA-N 1 2 346.818 3.900 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000522092803 1025963375 /nfs/dbraw/zinc/96/33/75/1025963375.db2.gz PSYYBRSLYRGSMO-ZIAGYGMSSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000522092803 1025963388 /nfs/dbraw/zinc/96/33/88/1025963388.db2.gz PSYYBRSLYRGSMO-ZIAGYGMSSA-N 1 2 338.521 3.885 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001167567288 1025992511 /nfs/dbraw/zinc/99/25/11/1025992511.db2.gz CNNOACHVZSSJBM-BZUAXINKSA-N 1 2 349.475 3.699 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001167567288 1025992531 /nfs/dbraw/zinc/99/25/31/1025992531.db2.gz CNNOACHVZSSJBM-BZUAXINKSA-N 1 2 349.475 3.699 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)no1 ZINC000451506159 1026027013 /nfs/dbraw/zinc/02/70/13/1026027013.db2.gz UIIRSRFIENHUCK-JKSUJKDBSA-N 1 2 329.444 3.667 20 0 EHADLO CO[C@H]1CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141915897 1026029740 /nfs/dbraw/zinc/02/97/40/1026029740.db2.gz WBFNHTWIELTSQB-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141915897 1026029757 /nfs/dbraw/zinc/02/97/57/1026029757.db2.gz WBFNHTWIELTSQB-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO COC[C@H](C)Oc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000657406431 1026033848 /nfs/dbraw/zinc/03/38/48/1026033848.db2.gz DAVFEGDOEMMQSN-INIZCTEOSA-N 1 2 337.423 3.898 20 0 EHADLO CN(Cc1cnn(C)c1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443433754 1026035519 /nfs/dbraw/zinc/03/55/19/1026035519.db2.gz WFECWELTGCIUJW-UHFFFAOYSA-N 1 2 349.207 3.506 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896919849 1026046289 /nfs/dbraw/zinc/04/62/89/1026046289.db2.gz BSFSCKNDBIYEII-SECBINFHSA-N 1 2 340.254 3.828 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000103295842 1026072405 /nfs/dbraw/zinc/07/24/05/1026072405.db2.gz LELPRFKZAHKXSR-AWEZNQCLSA-N 1 2 346.862 3.694 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(SC(F)(F)F)cc2)[nH+]c1C ZINC000896928210 1026074707 /nfs/dbraw/zinc/07/47/07/1026074707.db2.gz RYRRIYYVIYBFKL-UHFFFAOYSA-N 1 2 329.347 3.568 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cc3ccccc3o2)c1 ZINC000530572885 1026081012 /nfs/dbraw/zinc/08/10/12/1026081012.db2.gz JOHKLDXYYDULBB-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO CC(C)(C)CCCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000103429253 1026083831 /nfs/dbraw/zinc/08/38/31/1026083831.db2.gz DVRJJPNHZGWKOT-UHFFFAOYSA-N 1 2 327.472 3.807 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC[C@H]2CCCC(C)(C)C2)C1 ZINC000455564721 1026089370 /nfs/dbraw/zinc/08/93/70/1026089370.db2.gz ITCMFLOJMGEFOK-HOTGVXAUSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1cc2nc(N3CCC[C@@H]3c3[nH]c(C)c(C)[nH+]3)c3ccccc3n2n1 ZINC000895194191 1026090808 /nfs/dbraw/zinc/09/08/08/1026090808.db2.gz XONNTAYCFZERDM-QGZVFWFLSA-N 1 2 346.438 3.872 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516192593 1026101808 /nfs/dbraw/zinc/10/18/08/1026101808.db2.gz FURXIVSANZQBER-PBHICJAKSA-N 1 2 329.444 3.501 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516192593 1026101817 /nfs/dbraw/zinc/10/18/17/1026101817.db2.gz FURXIVSANZQBER-PBHICJAKSA-N 1 2 329.444 3.501 20 0 EHADLO CO[C@H]1CCC[C@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC000896821869 1026106594 /nfs/dbraw/zinc/10/65/94/1026106594.db2.gz WPXQYGNILSCXHX-RDJZCZTQSA-N 1 2 338.411 3.519 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564070 1026119075 /nfs/dbraw/zinc/11/90/75/1026119075.db2.gz LIIKLCXIWIEQPF-IAQYHMDHSA-N 1 2 342.842 3.553 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564070 1026119091 /nfs/dbraw/zinc/11/90/91/1026119091.db2.gz LIIKLCXIWIEQPF-IAQYHMDHSA-N 1 2 342.842 3.553 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218735 1026145985 /nfs/dbraw/zinc/14/59/85/1026145985.db2.gz LWYRMOAHRGYWMT-JLHYYAGUSA-N 1 2 349.459 3.854 20 0 EHADLO C[C@@H]1CCC[C@]1(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451672147 1026203310 /nfs/dbraw/zinc/20/33/10/1026203310.db2.gz ROPUSGPCPSPTKC-GUXCAODWSA-N 1 2 329.488 3.752 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000530755450 1026264862 /nfs/dbraw/zinc/26/48/62/1026264862.db2.gz RICREZFLBIKDGU-CQSZACIVSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000530755450 1026264877 /nfs/dbraw/zinc/26/48/77/1026264877.db2.gz RICREZFLBIKDGU-CQSZACIVSA-N 1 2 330.255 3.547 20 0 EHADLO C[C@@]1(F)CCN(c2cc(N3CC[C@](C)(F)C3)c3ccncc3[nH+]2)C1 ZINC000342562712 1026291584 /nfs/dbraw/zinc/29/15/84/1026291584.db2.gz XCNKIMJQEKSQHG-ZWKOTPCHSA-N 1 2 332.398 3.506 20 0 EHADLO CCn1c[nH+]cc1CNc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000417969213 1026333201 /nfs/dbraw/zinc/33/32/01/1026333201.db2.gz NZJDYBMJJNRVJW-UHFFFAOYSA-N 1 2 333.798 3.552 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451847092 1026341108 /nfs/dbraw/zinc/34/11/08/1026341108.db2.gz XPSGLBMYIYEHQZ-QFBILLFUSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451847092 1026341120 /nfs/dbraw/zinc/34/11/20/1026341120.db2.gz XPSGLBMYIYEHQZ-QFBILLFUSA-N 1 2 338.451 3.820 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000563364904 1026346224 /nfs/dbraw/zinc/34/62/24/1026346224.db2.gz RJTPKGVWQBAGBE-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000563364904 1026346229 /nfs/dbraw/zinc/34/62/29/1026346229.db2.gz RJTPKGVWQBAGBE-QGZVFWFLSA-N 1 2 335.451 3.815 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cncs1 ZINC000167833279 1026363406 /nfs/dbraw/zinc/36/34/06/1026363406.db2.gz ZFZBAWOPIWVPLS-UHFFFAOYSA-N 1 2 337.246 3.887 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(F)cc1Cl ZINC000451961577 1026399085 /nfs/dbraw/zinc/39/90/85/1026399085.db2.gz DMGUDKMSZFYBIE-MRXNPFEDSA-N 1 2 342.867 3.637 20 0 EHADLO O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(F)cc1Cl ZINC000451961577 1026399098 /nfs/dbraw/zinc/39/90/98/1026399098.db2.gz DMGUDKMSZFYBIE-MRXNPFEDSA-N 1 2 342.867 3.637 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)OC(C)(C)C ZINC000582493054 1026419033 /nfs/dbraw/zinc/41/90/33/1026419033.db2.gz QPWRNYSKQRILJC-OAHLLOKOSA-N 1 2 343.427 3.629 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000451994338 1026427258 /nfs/dbraw/zinc/42/72/58/1026427258.db2.gz QADUVTCDALLDOS-KRWDZBQOSA-N 1 2 328.435 3.789 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000451994338 1026427261 /nfs/dbraw/zinc/42/72/61/1026427261.db2.gz QADUVTCDALLDOS-KRWDZBQOSA-N 1 2 328.435 3.789 20 0 EHADLO Cc1cccc([C@H](C)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)c1 ZINC000452078117 1026478986 /nfs/dbraw/zinc/47/89/86/1026478986.db2.gz FBMDAQMXFFCKFH-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452209262 1026575583 /nfs/dbraw/zinc/57/55/83/1026575583.db2.gz ROTHOJFSSHTDAW-ZIAGYGMSSA-N 1 2 329.831 3.744 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000684914911 1026576350 /nfs/dbraw/zinc/57/63/50/1026576350.db2.gz FWWAPGPMBHSGPM-HZPDHXFCSA-N 1 2 339.430 3.540 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000684914911 1026576356 /nfs/dbraw/zinc/57/63/56/1026576356.db2.gz FWWAPGPMBHSGPM-HZPDHXFCSA-N 1 2 339.430 3.540 20 0 EHADLO CS[C@@H](C)CCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211212 1026576997 /nfs/dbraw/zinc/57/69/97/1026576997.db2.gz YKZNRSVBWJZINL-LBPRGKRZSA-N 1 2 337.876 3.674 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582555718 1026578941 /nfs/dbraw/zinc/57/89/41/1026578941.db2.gz PZWFSARLAIAYCF-CABCVRRESA-N 1 2 329.419 3.524 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582555718 1026578953 /nfs/dbraw/zinc/57/89/53/1026578953.db2.gz PZWFSARLAIAYCF-CABCVRRESA-N 1 2 329.419 3.524 20 0 EHADLO Cc1[nH+]cn(-c2ccc(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1C ZINC001168065365 1026634412 /nfs/dbraw/zinc/63/44/12/1026634412.db2.gz CBLSIDXLHTYFBW-XJKSGUPXSA-N 1 2 341.365 3.525 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000452333542 1026666307 /nfs/dbraw/zinc/66/63/07/1026666307.db2.gz JRJLSDUGGJOHHV-ZIAGYGMSSA-N 1 2 349.356 3.980 20 0 EHADLO C[C@@H]1CCN(C(=O)CSc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122760079 1026718129 /nfs/dbraw/zinc/71/81/29/1026718129.db2.gz CTYURCQFSRUWRI-UKRRQHHQSA-N 1 2 349.887 3.738 20 0 EHADLO C[C@@H]1CCN(C(=O)CSc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122759595 1026719369 /nfs/dbraw/zinc/71/93/69/1026719369.db2.gz CTYURCQFSRUWRI-HIFRSBDPSA-N 1 2 349.887 3.738 20 0 EHADLO CC[N@@H+](Cc1nc(C2CC2)cs1)C[C@H]1COc2ccccc2O1 ZINC000342692705 1026734195 /nfs/dbraw/zinc/73/41/95/1026734195.db2.gz KXHVMNPZLZBNEH-AWEZNQCLSA-N 1 2 330.453 3.682 20 0 EHADLO CC[N@H+](Cc1nc(C2CC2)cs1)C[C@H]1COc2ccccc2O1 ZINC000342692705 1026734201 /nfs/dbraw/zinc/73/42/01/1026734201.db2.gz KXHVMNPZLZBNEH-AWEZNQCLSA-N 1 2 330.453 3.682 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)n1C ZINC000531255339 1026741023 /nfs/dbraw/zinc/74/10/23/1026741023.db2.gz BYAQXUZMHGVIBU-UHFFFAOYSA-N 1 2 326.415 3.753 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)n1C ZINC000531255339 1026741031 /nfs/dbraw/zinc/74/10/31/1026741031.db2.gz BYAQXUZMHGVIBU-UHFFFAOYSA-N 1 2 326.415 3.753 20 0 EHADLO CC/C=C(\C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000728498393 1026745843 /nfs/dbraw/zinc/74/58/43/1026745843.db2.gz KYFLNJUKPIVRMN-VIZOYTHASA-N 1 2 337.427 3.618 20 0 EHADLO C[C@@H](c1nc(-c2cc3c([nH]c2=O)CC[C@H](C(C)(C)C)C3)no1)[NH+](C)C ZINC000897276567 1026762692 /nfs/dbraw/zinc/76/26/92/1026762692.db2.gz RNAPZGHFTIGLDX-AAEUAGOBSA-N 1 2 344.459 3.611 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000277746309 1026768743 /nfs/dbraw/zinc/76/87/43/1026768743.db2.gz QNZJFUMTWAAFOE-WFASDCNBSA-N 1 2 339.361 3.638 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000277746304 1026769025 /nfs/dbraw/zinc/76/90/25/1026769025.db2.gz QNZJFUMTWAAFOE-IUODEOHRSA-N 1 2 339.361 3.638 20 0 EHADLO Cc1[nH]c(CNC2(c3ccccc3Br)CCC2)[nH+]c1C ZINC000657499495 1026775059 /nfs/dbraw/zinc/77/50/59/1026775059.db2.gz AIFPFPQENLHDLH-UHFFFAOYSA-N 1 2 334.261 3.958 20 0 EHADLO CCc1c(Cl)nc(C)nc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301357239 1026775298 /nfs/dbraw/zinc/77/52/98/1026775298.db2.gz KYUYGLCHCMFLDO-UHFFFAOYSA-N 1 2 345.878 3.998 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(COC)CC1 ZINC000301369142 1026778535 /nfs/dbraw/zinc/77/85/35/1026778535.db2.gz SBPWEKWUGWJSOY-UHFFFAOYSA-N 1 2 342.439 3.583 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H](O)c1ccsc1 ZINC000301367124 1026779064 /nfs/dbraw/zinc/77/90/64/1026779064.db2.gz OIBYNRONALCVHP-MRXNPFEDSA-N 1 2 342.420 3.619 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000657501602 1026788046 /nfs/dbraw/zinc/78/80/46/1026788046.db2.gz YDICKBXJDKUUEO-BLVKFPJESA-N 1 2 333.378 3.718 20 0 EHADLO COC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000301456321 1026812315 /nfs/dbraw/zinc/81/23/15/1026812315.db2.gz YVJQQPREENTIEX-GOSISDBHSA-N 1 2 345.406 3.615 20 0 EHADLO COc1ccccc1[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000301513545 1026833362 /nfs/dbraw/zinc/83/33/62/1026833362.db2.gz BZGKMUNWFZPCKP-QGZVFWFLSA-N 1 2 338.455 3.817 20 0 EHADLO COc1ccccc1[C@H]1CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000301513545 1026833370 /nfs/dbraw/zinc/83/33/70/1026833370.db2.gz BZGKMUNWFZPCKP-QGZVFWFLSA-N 1 2 338.455 3.817 20 0 EHADLO Cc1cc[nH+]c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000301622563 1026878949 /nfs/dbraw/zinc/87/89/49/1026878949.db2.gz DYCWGCGLPKCPAG-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1CCOC2 ZINC000639642151 1026881290 /nfs/dbraw/zinc/88/12/90/1026881290.db2.gz NVKGTLRZSGGJNL-UHFFFAOYSA-N 1 2 341.436 3.503 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1CCOC2 ZINC000639642151 1026881300 /nfs/dbraw/zinc/88/13/00/1026881300.db2.gz NVKGTLRZSGGJNL-UHFFFAOYSA-N 1 2 341.436 3.503 20 0 EHADLO O=C(C[C@H]1CCCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277773704 1026886521 /nfs/dbraw/zinc/88/65/21/1026886521.db2.gz STLMMQITDWLXNG-GOSISDBHSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1cccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)ncnc12 ZINC000301716930 1026913558 /nfs/dbraw/zinc/91/35/58/1026913558.db2.gz XXDUQVXNXAMSFU-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301771099 1026932052 /nfs/dbraw/zinc/93/20/52/1026932052.db2.gz PLGPVMBCXUXODB-LBPRGKRZSA-N 1 2 348.903 3.952 20 0 EHADLO CCCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000123010024 1026933515 /nfs/dbraw/zinc/93/35/15/1026933515.db2.gz KLBSENNKTBZMAY-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCCCC3CCOCC3)CCO2)c(F)c1 ZINC000531479147 1026949455 /nfs/dbraw/zinc/94/94/55/1026949455.db2.gz NHZFWBJETDNKIL-IBGZPJMESA-N 1 2 339.426 3.935 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)c(F)c1 ZINC000531479147 1026949460 /nfs/dbraw/zinc/94/94/60/1026949460.db2.gz NHZFWBJETDNKIL-IBGZPJMESA-N 1 2 339.426 3.935 20 0 EHADLO CC[C@@H](C)CCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000666003642 1026959044 /nfs/dbraw/zinc/95/90/44/1026959044.db2.gz JTBAMYDUTFBORK-HZPDHXFCSA-N 1 2 333.476 3.638 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(Cl)cs1 ZINC000283054738 1026967710 /nfs/dbraw/zinc/96/77/10/1026967710.db2.gz PEMDJWWMBWQGKY-UHFFFAOYSA-N 1 2 328.890 3.601 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(Cl)cs1 ZINC000283054738 1026967721 /nfs/dbraw/zinc/96/77/21/1026967721.db2.gz PEMDJWWMBWQGKY-UHFFFAOYSA-N 1 2 328.890 3.601 20 0 EHADLO CC(C)(C)c1csc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000301867009 1026970871 /nfs/dbraw/zinc/97/08/71/1026970871.db2.gz GGIIAKPZGIGQDN-UHFFFAOYSA-N 1 2 344.488 3.947 20 0 EHADLO CC(C)[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccnc1 ZINC000301889133 1026980541 /nfs/dbraw/zinc/98/05/41/1026980541.db2.gz NHDBJWGGBYDOLC-HNNXBMFYSA-N 1 2 338.459 3.828 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000301890065 1026981418 /nfs/dbraw/zinc/98/14/18/1026981418.db2.gz NRYLRVGRABJWHB-NSHDSACASA-N 1 2 335.415 3.631 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(F)c(Cl)c1 ZINC000301900924 1026987060 /nfs/dbraw/zinc/98/70/60/1026987060.db2.gz VEOHUGCNBLTGJR-UHFFFAOYSA-N 1 2 333.798 3.986 20 0 EHADLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000301989404 1027016481 /nfs/dbraw/zinc/01/64/81/1027016481.db2.gz LZLZBFWHWAGZFP-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO COc1cc(F)c([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)cc1OC ZINC000302051608 1027035616 /nfs/dbraw/zinc/03/56/16/1027035616.db2.gz ODQORFLUQQYZDW-NSHDSACASA-N 1 2 345.418 3.993 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000074549136 1027035670 /nfs/dbraw/zinc/03/56/70/1027035670.db2.gz QJZOLBHCUDLZLZ-QGZVFWFLSA-N 1 2 329.444 3.576 20 0 EHADLO Cc1cc([C@@H]2CN(c3nc(C)[nH+]c4c3CCCC4)CCO2)ccc1F ZINC000302087284 1027049213 /nfs/dbraw/zinc/04/92/13/1027049213.db2.gz KUNJFJKOFGLJJI-IBGZPJMESA-N 1 2 341.430 3.689 20 0 EHADLO CCc1nc(N(CCc2ccccc2)Cc2cccnc2)cc(C)[nH+]1 ZINC000342788487 1027057719 /nfs/dbraw/zinc/05/77/19/1027057719.db2.gz YLCPWBWKXJJEAL-UHFFFAOYSA-N 1 2 332.451 3.992 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302226580 1027095345 /nfs/dbraw/zinc/09/53/45/1027095345.db2.gz STLZIZNEIIMBTH-CQSZACIVSA-N 1 2 344.409 3.739 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000302226580 1027095362 /nfs/dbraw/zinc/09/53/62/1027095362.db2.gz STLZIZNEIIMBTH-CQSZACIVSA-N 1 2 344.409 3.739 20 0 EHADLO C[C@H](c1cccc(NC(=O)CC2CCSCC2)c1)[NH+]1CCOCC1 ZINC000531628763 1027108888 /nfs/dbraw/zinc/10/88/88/1027108888.db2.gz ZWDRJMPBSAORCM-OAHLLOKOSA-N 1 2 348.512 3.552 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)[nH+]c12 ZINC000075390042 1027125729 /nfs/dbraw/zinc/12/57/29/1027125729.db2.gz RPPBGUBNZOMTGP-PBHICJAKSA-N 1 2 337.423 3.778 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3CC(C)C)cn2c1 ZINC000501202575 1027129430 /nfs/dbraw/zinc/12/94/30/1027129430.db2.gz IIGJKTLHNWLSQY-KRWDZBQOSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)c1nnc(CC2CC[NH+](Cc3nc4ccccc4o3)CC2)[nH]1 ZINC000639716989 1027141075 /nfs/dbraw/zinc/14/10/75/1027141075.db2.gz GTASOJQBKABSFL-UHFFFAOYSA-N 1 2 339.443 3.524 20 0 EHADLO CC(C)c1nc(CC2CC[NH+](Cc3nc4ccccc4o3)CC2)n[nH]1 ZINC000639716989 1027141087 /nfs/dbraw/zinc/14/10/87/1027141087.db2.gz GTASOJQBKABSFL-UHFFFAOYSA-N 1 2 339.443 3.524 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075555458 1027171623 /nfs/dbraw/zinc/17/16/23/1027171623.db2.gz CKELVHNSEHSERB-KRWDZBQOSA-N 1 2 341.455 3.854 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557483 1027172453 /nfs/dbraw/zinc/17/24/53/1027172453.db2.gz NQFZIBAHBQNVIN-OLZOCXBDSA-N 1 2 349.887 3.950 20 0 EHADLO COc1cccc2c(NCCc3cccc(C(=O)N(C)C)c3)cc[nH+]c12 ZINC000302524579 1027178443 /nfs/dbraw/zinc/17/84/43/1027178443.db2.gz JQXQTMOQUFTMJO-UHFFFAOYSA-N 1 2 349.434 3.600 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCCS2)C[C@H](C)O1 ZINC000272957280 1027197614 /nfs/dbraw/zinc/19/76/14/1027197614.db2.gz LOCRPAAEYIKCKN-RVKKMQEKSA-N 1 2 348.512 3.520 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCCS2)C[C@H](C)O1 ZINC000272957280 1027197629 /nfs/dbraw/zinc/19/76/29/1027197629.db2.gz LOCRPAAEYIKCKN-RVKKMQEKSA-N 1 2 348.512 3.520 20 0 EHADLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000272962084 1027198487 /nfs/dbraw/zinc/19/84/87/1027198487.db2.gz QFAFHEHNGYGZIH-SUMWQHHRSA-N 1 2 330.453 3.778 20 0 EHADLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000272962084 1027198496 /nfs/dbraw/zinc/19/84/96/1027198496.db2.gz QFAFHEHNGYGZIH-SUMWQHHRSA-N 1 2 330.453 3.778 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000347454414 1027199607 /nfs/dbraw/zinc/19/96/07/1027199607.db2.gz WAPXGMQWWQLBAH-QGZVFWFLSA-N 1 2 339.483 3.666 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCOc3cccc(Cl)c3)cc2[nH+]1 ZINC000531676045 1027199714 /nfs/dbraw/zinc/19/97/14/1027199714.db2.gz VCWYGQHMPQAHLF-UHFFFAOYSA-N 1 2 329.787 3.932 20 0 EHADLO COc1cc2c(cc1F)ncnc2Oc1cccc(-n2cc[nH+]c2)c1 ZINC000302596224 1027207361 /nfs/dbraw/zinc/20/73/61/1027207361.db2.gz XKSCTZIHSNNPOF-UHFFFAOYSA-N 1 2 336.326 3.756 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](Oc2ccncc2)C1 ZINC000302625445 1027216696 /nfs/dbraw/zinc/21/66/96/1027216696.db2.gz IADUFTLYDSWZKC-MRXNPFEDSA-N 1 2 335.407 3.605 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000014193615 1027231383 /nfs/dbraw/zinc/23/13/83/1027231383.db2.gz YFLCMBDTHZIDER-UHFFFAOYSA-N 1 2 345.668 3.773 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cc2c(s1)CCCC2 ZINC000531714101 1027240658 /nfs/dbraw/zinc/24/06/58/1027240658.db2.gz BMNMOMMXTGNDES-VIFPVBQESA-N 1 2 340.290 3.963 20 0 EHADLO O=C1CCN(C[NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000273045159 1027242718 /nfs/dbraw/zinc/24/27/18/1027242718.db2.gz GXRJYPGCJHAEFX-KRWDZBQOSA-N 1 2 334.872 3.703 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@H]3CCCc4c(O)cccc43)[nH+]cn2)C1 ZINC000302695974 1027243845 /nfs/dbraw/zinc/24/38/45/1027243845.db2.gz GPWRBZIVNWSGGY-YOEHRIQHSA-N 1 2 338.455 3.908 20 0 EHADLO C[C@H]1CCCN(c2cc(N[C@H]3CCCc4c(O)cccc43)nc[nH+]2)C1 ZINC000302695974 1027243869 /nfs/dbraw/zinc/24/38/69/1027243869.db2.gz GPWRBZIVNWSGGY-YOEHRIQHSA-N 1 2 338.455 3.908 20 0 EHADLO C[C@H](c1cnn(C)c1)N(C)c1cc[nH+]c2c(Br)cccc12 ZINC000302710005 1027249538 /nfs/dbraw/zinc/24/95/38/1027249538.db2.gz ZFAFHKGQBMJKQV-LLVKDONJSA-N 1 2 345.244 3.928 20 0 EHADLO C[C@]1(F)CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411287 1027268397 /nfs/dbraw/zinc/26/83/97/1027268397.db2.gz POZURYJIFBTKEL-OALUTQOASA-N 1 2 336.426 3.607 20 0 EHADLO C[C@]1(F)CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000501411287 1027268411 /nfs/dbraw/zinc/26/84/11/1027268411.db2.gz POZURYJIFBTKEL-OALUTQOASA-N 1 2 336.426 3.607 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000076404200 1027280997 /nfs/dbraw/zinc/28/09/97/1027280997.db2.gz PNEPLSWYZUMVNB-UHFFFAOYSA-N 1 2 335.392 3.576 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470977 1027287291 /nfs/dbraw/zinc/28/72/91/1027287291.db2.gz OEJXMXWACOXSCI-CRAIPNDOSA-N 1 2 326.444 3.763 20 0 EHADLO C[N@H+](Cc1ncc(Br)cc1Br)C1CCC1 ZINC000273160656 1027290181 /nfs/dbraw/zinc/29/01/81/1027290181.db2.gz BHUWVJJFALORFB-UHFFFAOYSA-N 1 2 334.055 3.591 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1C(F)(F)F ZINC000076512353 1027293654 /nfs/dbraw/zinc/29/36/54/1027293654.db2.gz YORHTEPNQVLQIN-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1C(F)(F)F ZINC000076512353 1027293669 /nfs/dbraw/zinc/29/36/69/1027293669.db2.gz YORHTEPNQVLQIN-UHFFFAOYSA-N 1 2 348.328 3.782 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000582735865 1027313107 /nfs/dbraw/zinc/31/31/07/1027313107.db2.gz ONSPSEKGGPQOEK-QGZVFWFLSA-N 1 2 338.451 3.853 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302850172 1027327364 /nfs/dbraw/zinc/32/73/64/1027327364.db2.gz POQZJCDKHACUSD-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cccc(C)c1[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302850172 1027327381 /nfs/dbraw/zinc/32/73/81/1027327381.db2.gz POQZJCDKHACUSD-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncnn21 ZINC000657568743 1027330727 /nfs/dbraw/zinc/33/07/27/1027330727.db2.gz LGOJADIHDKFSMV-UFBFGSQYSA-N 1 2 330.741 3.746 20 0 EHADLO Cc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)nc[nH+]1)CCC2 ZINC000302867585 1027333223 /nfs/dbraw/zinc/33/32/23/1027333223.db2.gz ZPJWIIDGYYKFOF-QGZVFWFLSA-N 1 2 340.496 3.828 20 0 EHADLO Cc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC000302867585 1027333238 /nfs/dbraw/zinc/33/32/38/1027333238.db2.gz ZPJWIIDGYYKFOF-QGZVFWFLSA-N 1 2 340.496 3.828 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000302899364 1027353385 /nfs/dbraw/zinc/35/33/85/1027353385.db2.gz QDKFZOFGEOTQHP-ZBFHGGJFSA-N 1 2 326.419 3.598 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000302899364 1027353402 /nfs/dbraw/zinc/35/34/02/1027353402.db2.gz QDKFZOFGEOTQHP-ZBFHGGJFSA-N 1 2 326.419 3.598 20 0 EHADLO CCc1ccc(-c2nc(C[NH2+][C@@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273285800 1027357754 /nfs/dbraw/zinc/35/77/54/1027357754.db2.gz JZYVZOOBRRJMSD-ZDUSSCGKSA-N 1 2 326.469 3.957 20 0 EHADLO C[NH+](C)[C@@H](CNc1ncnc2c(F)cccc12)c1c(F)cccc1F ZINC000302912632 1027358701 /nfs/dbraw/zinc/35/87/01/1027358701.db2.gz UEAUHMJHBNKXGC-HNNXBMFYSA-N 1 2 346.356 3.762 20 0 EHADLO CC(C)(C)c1ccc([C@@H](O)CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302918714 1027360715 /nfs/dbraw/zinc/36/07/15/1027360715.db2.gz XZVMCFJUGMGBNU-KRWDZBQOSA-N 1 2 340.471 3.520 20 0 EHADLO CC(C)(C)c1ccc([C@@H](O)CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302918714 1027360729 /nfs/dbraw/zinc/36/07/29/1027360729.db2.gz XZVMCFJUGMGBNU-KRWDZBQOSA-N 1 2 340.471 3.520 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000453107870 1027374520 /nfs/dbraw/zinc/37/45/20/1027374520.db2.gz IDQRLJVSTSUQSU-SWLSCSKDSA-N 1 2 341.377 3.960 20 0 EHADLO Cc1ccc(OCCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000077244722 1027382499 /nfs/dbraw/zinc/38/24/99/1027382499.db2.gz ZYQHVIZPZICQLV-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC2(c3ccccc3)CC2)c1 ZINC000444377183 1027398109 /nfs/dbraw/zinc/39/81/09/1027398109.db2.gz SYAUCRAZSAMZDV-UHFFFAOYSA-N 1 2 345.446 3.985 20 0 EHADLO CN(C)c1cc(C(F)(F)F)nc(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000077982144 1027478831 /nfs/dbraw/zinc/47/88/31/1027478831.db2.gz ZLLUSTNQMALOLC-UHFFFAOYSA-N 1 2 349.316 3.539 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1F ZINC000129261215 1027538967 /nfs/dbraw/zinc/53/89/67/1027538967.db2.gz IQEYBAOQCSJXIO-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO c1cn(CCCC2CCN(c3ncnc4ccsc43)CC2)c[nH+]1 ZINC000342836286 1027550020 /nfs/dbraw/zinc/55/00/20/1027550020.db2.gz TUPBRSGGQKHJSS-UHFFFAOYSA-N 1 2 327.457 3.585 20 0 EHADLO Cc1ccc(Cc2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000273685320 1027558682 /nfs/dbraw/zinc/55/86/82/1027558682.db2.gz IUSMDPAYCKPSLT-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO Cc1ccc(Cc2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000273685320 1027558693 /nfs/dbraw/zinc/55/86/93/1027558693.db2.gz IUSMDPAYCKPSLT-IBGZPJMESA-N 1 2 349.434 3.542 20 0 EHADLO COCCC1(c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCC1 ZINC000420512619 1027582648 /nfs/dbraw/zinc/58/26/48/1027582648.db2.gz FVWOJCGKDAYPPP-QGZVFWFLSA-N 1 2 341.455 3.865 20 0 EHADLO COCCC1(c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)CCC1 ZINC000420512619 1027582660 /nfs/dbraw/zinc/58/26/60/1027582660.db2.gz FVWOJCGKDAYPPP-QGZVFWFLSA-N 1 2 341.455 3.865 20 0 EHADLO Cc1cccc([C@@H](c2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500568 1027603667 /nfs/dbraw/zinc/60/36/67/1027603667.db2.gz SUBHXJMLPOWUPC-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1cccc([C@@H](c2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500568 1027603673 /nfs/dbraw/zinc/60/36/73/1027603673.db2.gz SUBHXJMLPOWUPC-ROUUACIJSA-N 1 2 343.471 3.948 20 0 EHADLO COC[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1cccc(OC)c1 ZINC000657611462 1027639120 /nfs/dbraw/zinc/63/91/20/1027639120.db2.gz NJJKFLSFWIAVHU-MRXNPFEDSA-N 1 2 344.436 3.889 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000130314246 1027658340 /nfs/dbraw/zinc/65/83/40/1027658340.db2.gz DDDISFJRQJSNIP-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO COCc1cc(NCc2cc(C)[nH+]c(C)c2)c2cc(F)ccc2n1 ZINC000420655109 1027671678 /nfs/dbraw/zinc/67/16/78/1027671678.db2.gz RCVUZYHUZJGGCL-UHFFFAOYSA-N 1 2 325.387 3.566 20 0 EHADLO Nc1cc(CNc2ccc(OC(F)(F)F)c3ncccc23)cc[nH+]1 ZINC001167616234 1027695053 /nfs/dbraw/zinc/69/50/53/1027695053.db2.gz ASFQAIYWKOBVIV-UHFFFAOYSA-N 1 2 334.301 3.723 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000665823163 1027727675 /nfs/dbraw/zinc/72/76/75/1027727675.db2.gz YVZMADINRJSBCR-INMHGKMJSA-N 1 2 331.847 3.691 20 0 EHADLO COc1ccc([C@H](NC(=O)NCc2cc(C)[nH+]c(C)c2)C2CC2)cc1 ZINC000420764877 1027734761 /nfs/dbraw/zinc/73/47/61/1027734761.db2.gz DGEKVDIEWHFWAT-LJQANCHMSA-N 1 2 339.439 3.658 20 0 EHADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533376458 1027737992 /nfs/dbraw/zinc/73/79/92/1027737992.db2.gz MFOJMWFYYUHHFW-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO CC(C)c1ccc(CCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152475372 1027742153 /nfs/dbraw/zinc/74/21/53/1027742153.db2.gz VWAAZCQRSLEMSF-IBGZPJMESA-N 1 2 337.467 3.533 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](COCC(C)C)c2ccco2)cc(C)[nH+]1 ZINC000420809352 1027747079 /nfs/dbraw/zinc/74/70/79/1027747079.db2.gz XZAMKHSIOPFANC-QGZVFWFLSA-N 1 2 345.443 3.505 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H]2CCCCC(F)(F)C2)cc(C)[nH+]1 ZINC000420837272 1027769512 /nfs/dbraw/zinc/76/95/12/1027769512.db2.gz HYMROCQWVGLHIJ-AWEZNQCLSA-N 1 2 325.403 3.713 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000420842139 1027783677 /nfs/dbraw/zinc/78/36/77/1027783677.db2.gz CYAHLXSTRZZRSZ-HIFRSBDPSA-N 1 2 343.393 3.866 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000665844361 1027793683 /nfs/dbraw/zinc/79/36/83/1027793683.db2.gz OCAYMQRXNABZLH-WGSAOQKQSA-N 1 2 341.499 3.905 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3nc4ccccc4o3)CC2)cc1 ZINC000078413001 1027797229 /nfs/dbraw/zinc/79/72/29/1027797229.db2.gz NEKNZJHSSUOUFL-UHFFFAOYSA-N 1 2 336.439 3.975 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nnc(-c4ccccc4)n3C)cn2c1 ZINC000005902956 1027798303 /nfs/dbraw/zinc/79/83/03/1027798303.db2.gz FYCBLFNSZXETMO-UHFFFAOYSA-N 1 2 335.436 3.731 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000420854894 1027798464 /nfs/dbraw/zinc/79/84/64/1027798464.db2.gz VLPYLAHCAGRQLS-GJZGRUSLSA-N 1 2 343.393 3.866 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420870672 1027832761 /nfs/dbraw/zinc/83/27/61/1027832761.db2.gz VMLNWZFSNCIROT-AWEZNQCLSA-N 1 2 329.469 3.981 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000420922966 1027870371 /nfs/dbraw/zinc/87/03/71/1027870371.db2.gz PAUQTLZJNJBUBU-YOEHRIQHSA-N 1 2 337.826 3.565 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000420922966 1027870392 /nfs/dbraw/zinc/87/03/92/1027870392.db2.gz PAUQTLZJNJBUBU-YOEHRIQHSA-N 1 2 337.826 3.565 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420926150 1027873496 /nfs/dbraw/zinc/87/34/96/1027873496.db2.gz MTYUSEDFIZOTQU-UKRRQHHQSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420926150 1027873513 /nfs/dbraw/zinc/87/35/13/1027873513.db2.gz MTYUSEDFIZOTQU-UKRRQHHQSA-N 1 2 349.475 3.669 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1F ZINC000132322318 1027912691 /nfs/dbraw/zinc/91/26/91/1027912691.db2.gz GEOUHCLQABRXRN-UHFFFAOYSA-N 1 2 344.411 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1F ZINC000132322318 1027912708 /nfs/dbraw/zinc/91/27/08/1027912708.db2.gz GEOUHCLQABRXRN-UHFFFAOYSA-N 1 2 344.411 3.854 20 0 EHADLO CN(c1nc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cs1)C1CC1 ZINC000420948692 1027912778 /nfs/dbraw/zinc/91/27/78/1027912778.db2.gz OCGTZJVXMQUVPT-NSHDSACASA-N 1 2 333.423 3.906 20 0 EHADLO CN(c1nc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cs1)C1CC1 ZINC000420948692 1027912795 /nfs/dbraw/zinc/91/27/95/1027912795.db2.gz OCGTZJVXMQUVPT-NSHDSACASA-N 1 2 333.423 3.906 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000420949487 1027914984 /nfs/dbraw/zinc/91/49/84/1027914984.db2.gz QHBVIQVLSOMJCB-LBPRGKRZSA-N 1 2 339.892 3.663 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H]1CC ZINC000455249775 1027915842 /nfs/dbraw/zinc/91/58/42/1027915842.db2.gz IESYINYQTXEGMO-SJORKVTESA-N 1 2 334.508 3.693 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H](CC)O1 ZINC000420954520 1027920685 /nfs/dbraw/zinc/92/06/85/1027920685.db2.gz KCMORZFALALWKS-BMFZPTHFSA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H](CC)O1 ZINC000420954520 1027920695 /nfs/dbraw/zinc/92/06/95/1027920695.db2.gz KCMORZFALALWKS-BMFZPTHFSA-N 1 2 345.443 3.696 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(F)ccc2OCC2CC2)c[nH+]1 ZINC000455257953 1027928139 /nfs/dbraw/zinc/92/81/39/1027928139.db2.gz QYXYCGULYUDBTQ-UHFFFAOYSA-N 1 2 343.402 3.948 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000503588614 1027929862 /nfs/dbraw/zinc/92/98/62/1027929862.db2.gz KOYGIWAXMJJGLE-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000503588614 1027929878 /nfs/dbraw/zinc/92/98/78/1027929878.db2.gz KOYGIWAXMJJGLE-AWEZNQCLSA-N 1 2 330.378 3.701 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000420941910 1027934857 /nfs/dbraw/zinc/93/48/57/1027934857.db2.gz GFMXEWYYNBASCF-JTQLQIEISA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1cc(F)cc(F)c1 ZINC000420941910 1027934875 /nfs/dbraw/zinc/93/48/75/1027934875.db2.gz GFMXEWYYNBASCF-JTQLQIEISA-N 1 2 336.304 3.568 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1 ZINC000420970427 1027948377 /nfs/dbraw/zinc/94/83/77/1027948377.db2.gz IQYOHTXWGMRMRS-ZDUSSCGKSA-N 1 2 325.790 3.559 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1 ZINC000420970427 1027948387 /nfs/dbraw/zinc/94/83/87/1027948387.db2.gz IQYOHTXWGMRMRS-ZDUSSCGKSA-N 1 2 325.790 3.559 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000153459572 1027955318 /nfs/dbraw/zinc/95/53/18/1027955318.db2.gz KKMQBOIUBWDVER-INIZCTEOSA-N 1 2 335.407 3.742 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C2(CCC2)C1 ZINC000420990298 1027958503 /nfs/dbraw/zinc/95/85/03/1027958503.db2.gz FFYBSFPEKOPLRD-LBPRGKRZSA-N 1 2 344.680 3.982 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C2(CCC2)C1 ZINC000420990298 1027958516 /nfs/dbraw/zinc/95/85/16/1027958516.db2.gz FFYBSFPEKOPLRD-LBPRGKRZSA-N 1 2 344.680 3.982 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccccc2OC(F)F)c(C)c[nH+]1 ZINC000536621387 1027968366 /nfs/dbraw/zinc/96/83/66/1027968366.db2.gz JHPKUUPCOFPCFR-GFCCVEGCSA-N 1 2 335.354 3.604 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C2(CCC2)C1 ZINC000420997514 1027978799 /nfs/dbraw/zinc/97/87/99/1027978799.db2.gz SAXLQGCZVXRXJP-CYBMUJFWSA-N 1 2 340.254 3.521 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C2(CCC2)C1 ZINC000420997514 1027978813 /nfs/dbraw/zinc/97/88/13/1027978813.db2.gz SAXLQGCZVXRXJP-CYBMUJFWSA-N 1 2 340.254 3.521 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000133026507 1027994163 /nfs/dbraw/zinc/99/41/63/1027994163.db2.gz KDJGLUAJPJGHJW-HOTGVXAUSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000421015023 1028001641 /nfs/dbraw/zinc/00/16/41/1028001641.db2.gz STKWTJZURZNHIY-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)n1 ZINC000421015023 1028001660 /nfs/dbraw/zinc/00/16/60/1028001660.db2.gz STKWTJZURZNHIY-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000513739520 1028025017 /nfs/dbraw/zinc/02/50/17/1028025017.db2.gz JGJWSLKYVJVKEV-NVXWUHKLSA-N 1 2 330.472 3.845 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1F ZINC000657672693 1028025811 /nfs/dbraw/zinc/02/58/11/1028025811.db2.gz GNXVUOVZVSBRLL-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444583955 1028062760 /nfs/dbraw/zinc/06/27/60/1028062760.db2.gz QONCDRWWJUHKST-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444583955 1028062779 /nfs/dbraw/zinc/06/27/79/1028062779.db2.gz QONCDRWWJUHKST-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO COc1ccc2c(c1NC(=O)NCc1cc(C)[nH+]c(C)c1)CCC2 ZINC000421095001 1028080646 /nfs/dbraw/zinc/08/06/46/1028080646.db2.gz BGUMXIJJBPOEDJ-UHFFFAOYSA-N 1 2 325.412 3.517 20 0 EHADLO Cc1cccc(F)c1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000134000412 1028086068 /nfs/dbraw/zinc/08/60/68/1028086068.db2.gz GDEYLSHLXGSIIF-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342916462 1028100204 /nfs/dbraw/zinc/10/02/04/1028100204.db2.gz JVYLIOCPVDEANR-FZKQIMNGSA-N 1 2 346.862 3.918 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342916462 1028100216 /nfs/dbraw/zinc/10/02/16/1028100216.db2.gz JVYLIOCPVDEANR-FZKQIMNGSA-N 1 2 346.862 3.918 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423008558 1028122450 /nfs/dbraw/zinc/12/24/50/1028122450.db2.gz TWXXCYDOUFMUEB-KZULUSFZSA-N 1 2 348.393 3.629 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(C)n1C1CC1 ZINC000444693364 1028167574 /nfs/dbraw/zinc/16/75/74/1028167574.db2.gz OITWQERYXJMVJO-CYBMUJFWSA-N 1 2 328.378 3.897 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(C)n1C1CC1 ZINC000444693364 1028167580 /nfs/dbraw/zinc/16/75/80/1028167580.db2.gz OITWQERYXJMVJO-CYBMUJFWSA-N 1 2 328.378 3.897 20 0 EHADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2nccs2)cc1 ZINC000135181035 1028172483 /nfs/dbraw/zinc/17/24/83/1028172483.db2.gz WVCBNFZSSIHYCK-UHFFFAOYSA-N 1 2 327.428 3.922 20 0 EHADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2nccs2)cc1 ZINC000135181035 1028172500 /nfs/dbraw/zinc/17/25/00/1028172500.db2.gz WVCBNFZSSIHYCK-UHFFFAOYSA-N 1 2 327.428 3.922 20 0 EHADLO C[C@@H](CSCc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000421216013 1028201181 /nfs/dbraw/zinc/20/11/81/1028201181.db2.gz DWSYSVYCIFDTSS-ZDUSSCGKSA-N 1 2 333.419 3.950 20 0 EHADLO c1ccc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)ccc2c1 ZINC000277967124 1028208798 /nfs/dbraw/zinc/20/87/98/1028208798.db2.gz GMJGHXCXBTXNCL-QZTJIDSGSA-N 1 2 335.407 3.816 20 0 EHADLO c1ccc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)ccc2c1 ZINC000277967124 1028208815 /nfs/dbraw/zinc/20/88/15/1028208815.db2.gz GMJGHXCXBTXNCL-QZTJIDSGSA-N 1 2 335.407 3.816 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739662 1028224389 /nfs/dbraw/zinc/22/43/89/1028224389.db2.gz VGLFQCDMPWUZJO-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)C(F)(F)F ZINC000444739662 1028224402 /nfs/dbraw/zinc/22/44/02/1028224402.db2.gz VGLFQCDMPWUZJO-ZWNOBZJWSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2c[nH]c3ccc(F)cc23)c(C)[nH+]1 ZINC000455495911 1028227613 /nfs/dbraw/zinc/22/76/13/1028227613.db2.gz OOWWOCLLSHAOAE-UHFFFAOYSA-N 1 2 340.402 3.991 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000444743705 1028229974 /nfs/dbraw/zinc/22/99/74/1028229974.db2.gz JIBUDKNIAPMHSH-HNNXBMFYSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000444743705 1028229988 /nfs/dbraw/zinc/22/99/88/1028229988.db2.gz JIBUDKNIAPMHSH-HNNXBMFYSA-N 1 2 346.421 3.752 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000055055183 1028258734 /nfs/dbraw/zinc/25/87/34/1028258734.db2.gz ZZMIINYMEMLGEA-CQSZACIVSA-N 1 2 340.423 3.986 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000055055183 1028258748 /nfs/dbraw/zinc/25/87/48/1028258748.db2.gz ZZMIINYMEMLGEA-CQSZACIVSA-N 1 2 340.423 3.986 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000136656190 1028264085 /nfs/dbraw/zinc/26/40/85/1028264085.db2.gz TWTZQQWWIOYDTE-HNNXBMFYSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000136656190 1028264099 /nfs/dbraw/zinc/26/40/99/1028264099.db2.gz TWTZQQWWIOYDTE-HNNXBMFYSA-N 1 2 344.484 3.746 20 0 EHADLO FC(F)(F)c1cccc([C@H]([NH2+]CCc2ccccc2)c2nnc[nH]2)c1 ZINC000136684756 1028264269 /nfs/dbraw/zinc/26/42/69/1028264269.db2.gz ANEQEOMPGDTZMP-INIZCTEOSA-N 1 2 346.356 3.745 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3cc(C)sc3C)ccc2[nH+]1 ZINC000523391497 1028268492 /nfs/dbraw/zinc/26/84/92/1028268492.db2.gz CYKHGAHRXZHYAU-UHFFFAOYSA-N 1 2 341.436 3.923 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1C ZINC000327248846 1028270909 /nfs/dbraw/zinc/27/09/09/1028270909.db2.gz VRMJKCLAORJDBU-UHFFFAOYSA-N 1 2 343.402 3.673 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)Cc3ccc(C)s3)ccc2[nH+]1 ZINC000523426150 1028297421 /nfs/dbraw/zinc/29/74/21/1028297421.db2.gz WRKTVMSHVVOICN-LLVKDONJSA-N 1 2 328.441 3.765 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2Cc2ccccc2C)c[nH+]1 ZINC000455536850 1028312560 /nfs/dbraw/zinc/31/25/60/1028312560.db2.gz BYMWLDAJEMUPQE-HXUWFJFHSA-N 1 2 337.467 3.924 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000056444421 1028325452 /nfs/dbraw/zinc/32/54/52/1028325452.db2.gz KKMAOJLQJCXHKS-INIZCTEOSA-N 1 2 338.455 3.551 20 0 EHADLO CCOc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056520128 1028327519 /nfs/dbraw/zinc/32/75/19/1028327519.db2.gz GPAVSLZLBFXIEV-UHFFFAOYSA-N 1 2 336.395 3.593 20 0 EHADLO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153624449 1028394045 /nfs/dbraw/zinc/39/40/45/1028394045.db2.gz FZUJUEUTWUXXMM-VQIMIIECSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc(C4CC4)nc3)[C@@H](C)CO2)c1 ZINC000459378013 1028400785 /nfs/dbraw/zinc/40/07/85/1028400785.db2.gz PFEFWHKQYWLHMS-OXJNMPFZSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc(C4CC4)nc3)[C@@H](C)CO2)c1 ZINC000459378013 1028400797 /nfs/dbraw/zinc/40/07/97/1028400797.db2.gz PFEFWHKQYWLHMS-OXJNMPFZSA-N 1 2 337.467 3.933 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000069065677 1028418755 /nfs/dbraw/zinc/41/87/55/1028418755.db2.gz JZSICQNKUUENMT-STQMWFEESA-N 1 2 336.382 3.770 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000069065677 1028418761 /nfs/dbraw/zinc/41/87/61/1028418761.db2.gz JZSICQNKUUENMT-STQMWFEESA-N 1 2 336.382 3.770 20 0 EHADLO C[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(F)F ZINC000421440716 1028422811 /nfs/dbraw/zinc/42/28/11/1028422811.db2.gz ZVCVKAHAKUURNJ-QGZVFWFLSA-N 1 2 331.366 3.870 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000455553603 1028433171 /nfs/dbraw/zinc/43/31/71/1028433171.db2.gz CUHGSPORNSIMQY-INIZCTEOSA-N 1 2 327.403 3.537 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000444976522 1028436472 /nfs/dbraw/zinc/43/64/72/1028436472.db2.gz QJMWNXAVYIZMKL-UHFFFAOYSA-N 1 2 345.406 3.984 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421455203 1028456567 /nfs/dbraw/zinc/45/65/67/1028456567.db2.gz GICVTYUXQGXYGI-KSZLIROESA-N 1 2 327.472 3.514 20 0 EHADLO C[C@@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1(F)F ZINC000421493003 1028476778 /nfs/dbraw/zinc/47/67/78/1028476778.db2.gz BGIAQDBHAPVZNI-KRWDZBQOSA-N 1 2 329.350 3.586 20 0 EHADLO C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523649834 1028502190 /nfs/dbraw/zinc/50/21/90/1028502190.db2.gz QVKNZUWICKIEEE-ZFWWWQNUSA-N 1 2 331.391 3.545 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2ccccc2Cl)no1)c1ccccc1 ZINC000504242117 1028521053 /nfs/dbraw/zinc/52/10/53/1028521053.db2.gz XWRQIGRVZJEBRM-QGZVFWFLSA-N 1 2 327.815 3.965 20 0 EHADLO Cc1csc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1Br ZINC000421576082 1028569908 /nfs/dbraw/zinc/56/99/08/1028569908.db2.gz LTUWXRIHFWNLAM-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc2n1CCCCC2 ZINC000194520807 1028536952 /nfs/dbraw/zinc/53/69/52/1028536952.db2.gz SLHFAVZAGJCKQQ-UHFFFAOYSA-N 1 2 339.468 3.791 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c[nH+]1 ZINC000897336399 1028551861 /nfs/dbraw/zinc/55/18/61/1028551861.db2.gz WLEKEKPSOSQBJF-MRXNPFEDSA-N 1 2 343.446 3.862 20 0 EHADLO Cc1oc(-c2cccs2)nc1CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421555182 1028555973 /nfs/dbraw/zinc/55/59/73/1028555973.db2.gz HOLOSDQTYZHMOI-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO Cc1cc(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc(C)[nH+]1 ZINC000421557077 1028558279 /nfs/dbraw/zinc/55/82/79/1028558279.db2.gz KPDOIWKEYNEJOD-UHFFFAOYSA-N 1 2 346.434 3.692 20 0 EHADLO Cc1cc(CSc2ncccc2C(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000073557375 1028561370 /nfs/dbraw/zinc/56/13/70/1028561370.db2.gz RGJZRSSHSNDWNL-UHFFFAOYSA-N 1 2 340.408 3.626 20 0 EHADLO Cc1cc(CNC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc(C)[nH+]1 ZINC000421574605 1028567854 /nfs/dbraw/zinc/56/78/54/1028567854.db2.gz GZQOKNVYQVGNNS-INIZCTEOSA-N 1 2 338.451 3.957 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575206 1028570900 /nfs/dbraw/zinc/57/09/00/1028570900.db2.gz JETMNWRRCVCTRF-GOSISDBHSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(CNC(=O)c2cc(Cl)ccc2OC(F)F)cc(C)[nH+]1 ZINC000421577165 1028572337 /nfs/dbraw/zinc/57/23/37/1028572337.db2.gz NXVKXRQRVOOXAH-UHFFFAOYSA-N 1 2 340.757 3.883 20 0 EHADLO COc1ccc(CCCCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421577191 1028572385 /nfs/dbraw/zinc/57/23/85/1028572385.db2.gz OFJHJDICQZGJFN-UHFFFAOYSA-N 1 2 326.440 3.736 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c[nH+]1 ZINC000455576128 1028577034 /nfs/dbraw/zinc/57/70/34/1028577034.db2.gz SKIPJTUYYZVBAX-CQSZACIVSA-N 1 2 345.393 3.676 20 0 EHADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(n2cc[nH+]c2)CC1 ZINC000195118216 1028585255 /nfs/dbraw/zinc/58/52/55/1028585255.db2.gz TUKXQRFWVBLHRM-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000073986201 1028589141 /nfs/dbraw/zinc/58/91/41/1028589141.db2.gz SUGXPHAHIMACEG-AWEZNQCLSA-N 1 2 340.423 3.529 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000073986201 1028589152 /nfs/dbraw/zinc/58/91/52/1028589152.db2.gz SUGXPHAHIMACEG-AWEZNQCLSA-N 1 2 340.423 3.529 20 0 EHADLO CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)ccc1C ZINC000074221945 1028603775 /nfs/dbraw/zinc/60/37/75/1028603775.db2.gz FOSYYDRMDZYSHT-UHFFFAOYSA-N 1 2 348.406 3.700 20 0 EHADLO CN(CC1=CCCOC1)c1[nH+]ccc2cc(Br)ccc21 ZINC000664364610 1028616035 /nfs/dbraw/zinc/61/60/35/1028616035.db2.gz AYLHNWPTODOWRU-UHFFFAOYSA-N 1 2 333.229 3.780 20 0 EHADLO COc1ccccc1CCN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074566737 1028625009 /nfs/dbraw/zinc/62/50/09/1028625009.db2.gz BZVORLMKJMQWAP-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cs2)o1 ZINC000502763017 1028646945 /nfs/dbraw/zinc/64/69/45/1028646945.db2.gz OVCGSHRYGQEJFX-UHFFFAOYSA-N 1 2 349.500 3.742 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(Cl)c2ccccc21 ZINC000423897527 1028682673 /nfs/dbraw/zinc/68/26/73/1028682673.db2.gz KSMXLNOCYMBBCL-MEBBXXQBSA-N 1 2 338.785 3.668 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000079406788 1028685023 /nfs/dbraw/zinc/68/50/23/1028685023.db2.gz XDTIGVGYQSQYSZ-OAQYLSRUSA-N 1 2 347.462 3.987 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1F ZINC000325392869 1028690324 /nfs/dbraw/zinc/69/03/24/1028690324.db2.gz WDQSHDAGILPTER-QWHCGFSZSA-N 1 2 332.423 3.564 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000429737301 1028714345 /nfs/dbraw/zinc/71/43/45/1028714345.db2.gz LABBIWVPLUIFKB-MDZRGWNJSA-N 1 2 345.487 3.732 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000532727113 1028751284 /nfs/dbraw/zinc/75/12/84/1028751284.db2.gz NUHKJUJSKHIZOV-FQEVSTJZSA-N 1 2 348.450 3.739 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000532727113 1028751294 /nfs/dbraw/zinc/75/12/94/1028751294.db2.gz NUHKJUJSKHIZOV-FQEVSTJZSA-N 1 2 348.450 3.739 20 0 EHADLO O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541783 1028752445 /nfs/dbraw/zinc/75/24/45/1028752445.db2.gz KJDZMHHJBINTAH-IBGZPJMESA-N 1 2 343.430 3.932 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245532847 1028775546 /nfs/dbraw/zinc/77/55/46/1028775546.db2.gz IJQPEQJUYOMTDR-ZIAGYGMSSA-N 1 2 347.409 3.572 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245532847 1028775557 /nfs/dbraw/zinc/77/55/57/1028775557.db2.gz IJQPEQJUYOMTDR-ZIAGYGMSSA-N 1 2 347.409 3.572 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)[nH+]c12 ZINC000524012222 1028778184 /nfs/dbraw/zinc/77/81/84/1028778184.db2.gz MCBNBAMTQMATQX-IAGOWNOFSA-N 1 2 327.472 3.906 20 0 EHADLO C/C(=C/C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000122956077 1028779441 /nfs/dbraw/zinc/77/94/41/1028779441.db2.gz VRXYJTDHHICCDI-FOFINAFOSA-N 1 2 327.403 3.535 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001211977011 1028782219 /nfs/dbraw/zinc/78/22/19/1028782219.db2.gz YOSIOYZLOGETPS-UHFFFAOYSA-N 1 2 337.379 3.801 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC000502895079 1028792261 /nfs/dbraw/zinc/79/22/61/1028792261.db2.gz YYMGJXUFGPRVGG-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC000502895079 1028792270 /nfs/dbraw/zinc/79/22/70/1028792270.db2.gz YYMGJXUFGPRVGG-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2c(Cl)cccc2C1 ZINC000161530458 1028809999 /nfs/dbraw/zinc/80/99/99/1028809999.db2.gz QZWYBRRPCRMNBN-UHFFFAOYSA-N 1 2 341.846 3.797 20 0 EHADLO C[C@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)[NH+]1CCSCC1 ZINC000532763802 1028812593 /nfs/dbraw/zinc/81/25/93/1028812593.db2.gz LWRLPTDCXJVJNN-MRXNPFEDSA-N 1 2 340.492 3.754 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000075935902 1028822669 /nfs/dbraw/zinc/82/26/69/1028822669.db2.gz NTTRKINHPLWTIQ-UHFFFAOYSA-N 1 2 345.402 3.507 20 0 EHADLO Cc1cc(C(=O)NCC(C)C)ccc1NCc1c[nH+]cn1C(C)C ZINC000424179894 1028856013 /nfs/dbraw/zinc/85/60/13/1028856013.db2.gz ZVGRTSSMJJJFAP-UHFFFAOYSA-N 1 2 328.460 3.770 20 0 EHADLO c1[nH]nc2ccc(SCc3cccc(C[NH+]4CCOCC4)c3)cc12 ZINC000421844314 1028868833 /nfs/dbraw/zinc/86/88/33/1028868833.db2.gz TUBCUKDXPKPTKO-UHFFFAOYSA-N 1 2 339.464 3.687 20 0 EHADLO COc1ccccc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421846437 1028871460 /nfs/dbraw/zinc/87/14/60/1028871460.db2.gz SNUFGYFIXNEXPV-UHFFFAOYSA-N 1 2 329.465 3.820 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c(C)c1 ZINC000504750674 1028879436 /nfs/dbraw/zinc/87/94/36/1028879436.db2.gz OOPFNOOMVGLPEU-ZHALLVOQSA-N 1 2 337.467 3.648 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)no1 ZINC000459384101 1028918157 /nfs/dbraw/zinc/91/81/57/1028918157.db2.gz CTQVUFOSYQIWRJ-UHFFFAOYSA-N 1 2 327.428 3.792 20 0 EHADLO Cc1cc(Cl)ccc1Cc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000445587037 1028948051 /nfs/dbraw/zinc/94/80/51/1028948051.db2.gz CATGMEIPIKGWQB-CQSZACIVSA-N 1 2 337.876 3.560 20 0 EHADLO Cc1cc(Cl)ccc1Cc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000445587037 1028948064 /nfs/dbraw/zinc/94/80/64/1028948064.db2.gz CATGMEIPIKGWQB-CQSZACIVSA-N 1 2 337.876 3.560 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[nH+]c12 ZINC000524203741 1028962920 /nfs/dbraw/zinc/96/29/20/1028962920.db2.gz SYMWJGOUJIVWIZ-ZTFGCOKTSA-N 1 2 327.472 3.762 20 0 EHADLO CC[C@H]([NH2+]Cc1nccc(OC)n1)c1ccc(OC(F)(F)F)cc1 ZINC000424313827 1028963805 /nfs/dbraw/zinc/96/38/05/1028963805.db2.gz YYCHDWPCALVAMO-ZDUSSCGKSA-N 1 2 341.333 3.625 20 0 EHADLO c1nnc(SCc2c[nH+]cn2Cc2ccccc2)n1-c1ccccc1 ZINC000445607964 1028970542 /nfs/dbraw/zinc/97/05/42/1028970542.db2.gz NYODJNVYLUOTHJ-UHFFFAOYSA-N 1 2 347.447 3.804 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123628932 1028976949 /nfs/dbraw/zinc/97/69/49/1028976949.db2.gz AWPPKBUWPANGFP-GXSJLCMTSA-N 1 2 344.267 3.975 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)n1 ZINC000424310287 1028991802 /nfs/dbraw/zinc/99/18/02/1028991802.db2.gz SBDKKRJMMVNABL-LBPRGKRZSA-N 1 2 335.835 3.777 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2C1 ZINC000504844693 1028992855 /nfs/dbraw/zinc/99/28/55/1028992855.db2.gz CUIWGUHSWXJUKH-CQSZACIVSA-N 1 2 340.492 3.965 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2C1 ZINC000504844693 1028992868 /nfs/dbraw/zinc/99/28/68/1028992868.db2.gz CUIWGUHSWXJUKH-CQSZACIVSA-N 1 2 340.492 3.965 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000123808083 1029036215 /nfs/dbraw/zinc/03/62/15/1029036215.db2.gz CHYWKGPEVRBYAB-ZTFGCOKTSA-N 1 2 329.419 3.626 20 0 EHADLO CCO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000076727636 1029038439 /nfs/dbraw/zinc/03/84/39/1029038439.db2.gz URCPIQUDQHMNMC-PXAZEXFGSA-N 1 2 333.407 3.937 20 0 EHADLO CC(C)n1cc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)cn1 ZINC000072924003 1029049639 /nfs/dbraw/zinc/04/96/39/1029049639.db2.gz RRZBLXCIDPMPRO-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)CCCC2 ZINC000393321107 1029062049 /nfs/dbraw/zinc/06/20/49/1029062049.db2.gz ASPIVAJOTXGXEU-GFCCVEGCSA-N 1 2 348.288 3.912 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2noc3c2CCCC3)CC1 ZINC000091981172 1029065018 /nfs/dbraw/zinc/06/50/18/1029065018.db2.gz GSLHICZDRLNSLS-HNNXBMFYSA-N 1 2 343.446 3.571 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)C2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000459389035 1029082126 /nfs/dbraw/zinc/08/21/26/1029082126.db2.gz QCSIMVCFBVHKHK-HNNXBMFYSA-N 1 2 345.487 3.732 20 0 EHADLO Cc1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000422170964 1029109242 /nfs/dbraw/zinc/10/92/42/1029109242.db2.gz WHWQYXXLEUWGJE-UHFFFAOYSA-N 1 2 329.831 3.840 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H]2SCCc3ccccc32)c[nH+]1 ZINC000454624131 1029111502 /nfs/dbraw/zinc/11/15/02/1029111502.db2.gz VORJWBSTLGFIDT-SFHVURJKSA-N 1 2 341.480 3.528 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2SCCc3ccccc32)c[nH+]1 ZINC000454624129 1029111788 /nfs/dbraw/zinc/11/17/88/1029111788.db2.gz VORJWBSTLGFIDT-GOSISDBHSA-N 1 2 341.480 3.528 20 0 EHADLO Fc1cccc([C@@H]([NH2+]Cc2cn3cccnc3n2)c2ccccc2)c1 ZINC000154332776 1029121544 /nfs/dbraw/zinc/12/15/44/1029121544.db2.gz RWBUJPPQIWQNSG-IBGZPJMESA-N 1 2 332.382 3.748 20 0 EHADLO COC1(C)CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000271720178 1029138506 /nfs/dbraw/zinc/13/85/06/1029138506.db2.gz KSSZJOWBRPBFJN-LLVKDONJSA-N 1 2 335.473 3.576 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3cccc(O)c3)nc(=O)c2c1C ZINC000532988329 1029146733 /nfs/dbraw/zinc/14/67/33/1029146733.db2.gz HQZMCSKPEWUXKJ-LLVKDONJSA-N 1 2 343.452 3.912 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3cccc(O)c3)nc(=O)c2c1C ZINC000532988329 1029146735 /nfs/dbraw/zinc/14/67/35/1029146735.db2.gz HQZMCSKPEWUXKJ-LLVKDONJSA-N 1 2 343.452 3.912 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458419940 1029152366 /nfs/dbraw/zinc/15/23/66/1029152366.db2.gz ALCNCWDLIISFPX-SUMWQHHRSA-N 1 2 348.878 3.703 20 0 EHADLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000271804676 1029178446 /nfs/dbraw/zinc/17/84/46/1029178446.db2.gz XHWZWYAQDPFLHZ-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533023709 1029180044 /nfs/dbraw/zinc/18/00/44/1029180044.db2.gz FPTXFAFHRHGAPS-HXUWFJFHSA-N 1 2 338.451 3.502 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152020838 1029213873 /nfs/dbraw/zinc/21/38/73/1029213873.db2.gz JOHYPTSIFIEIDU-CYBMUJFWSA-N 1 2 327.384 3.921 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152020838 1029213888 /nfs/dbraw/zinc/21/38/88/1029213888.db2.gz JOHYPTSIFIEIDU-CYBMUJFWSA-N 1 2 327.384 3.921 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001142079956 1029248699 /nfs/dbraw/zinc/24/86/99/1029248699.db2.gz ARXQTHRVROSHQH-ZJUUUORDSA-N 1 2 348.643 3.710 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001142079956 1029248715 /nfs/dbraw/zinc/24/87/15/1029248715.db2.gz ARXQTHRVROSHQH-ZJUUUORDSA-N 1 2 348.643 3.710 20 0 EHADLO CSCC[C@@H]([NH2+]Cc1ccccc1Cl)c1nnc2ccccn21 ZINC000078302786 1029274116 /nfs/dbraw/zinc/27/41/16/1029274116.db2.gz WKBPRUFBDKUICJ-OAHLLOKOSA-N 1 2 346.887 3.967 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[C@@H]1C ZINC000424704253 1029283546 /nfs/dbraw/zinc/28/35/46/1029283546.db2.gz WJYJPKJLVCJGDS-HKUYNNGSSA-N 1 2 343.515 3.973 20 0 EHADLO COCC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(C)o1 ZINC000272173315 1029344890 /nfs/dbraw/zinc/34/48/90/1029344890.db2.gz HKQWQPIRMMTYHR-OAHLLOKOSA-N 1 2 330.432 3.558 20 0 EHADLO COCC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(C)o1 ZINC000272173315 1029344903 /nfs/dbraw/zinc/34/49/03/1029344903.db2.gz HKQWQPIRMMTYHR-OAHLLOKOSA-N 1 2 330.432 3.558 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000272184631 1029351294 /nfs/dbraw/zinc/35/12/94/1029351294.db2.gz ANDAIOVRPVXFKM-GFCCVEGCSA-N 1 2 346.397 3.666 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2OCC2CC2)c[nH+]1 ZINC000454844109 1029373597 /nfs/dbraw/zinc/37/35/97/1029373597.db2.gz COEBHNAMVCDIPT-UHFFFAOYSA-N 1 2 325.412 3.809 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C)c2ccccc2c1=O ZINC000054513857 1029392842 /nfs/dbraw/zinc/39/28/42/1029392842.db2.gz NJIVRYSYBUHQAI-INIZCTEOSA-N 1 2 335.451 3.963 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nc(C)c2ccccc2c1=O ZINC000054513857 1029392857 /nfs/dbraw/zinc/39/28/57/1029392857.db2.gz NJIVRYSYBUHQAI-INIZCTEOSA-N 1 2 335.451 3.963 20 0 EHADLO C[C@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000393330727 1029398640 /nfs/dbraw/zinc/39/86/40/1029398640.db2.gz INQQTCHONJJPOD-XHDPSFHLSA-N 1 2 334.261 3.911 20 0 EHADLO Fc1c(Cl)cc(C(F)(F)F)cc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095465 1029406686 /nfs/dbraw/zinc/40/66/86/1029406686.db2.gz JOJZBHPBJUZFJB-UHFFFAOYSA-N 1 2 335.688 3.754 20 0 EHADLO CC1(CCNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000454872755 1029420753 /nfs/dbraw/zinc/42/07/53/1029420753.db2.gz JYZBLKQWWWBZFB-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4cc(F)ccc4s3)n2)C1 ZINC000272362369 1029433246 /nfs/dbraw/zinc/43/32/46/1029433246.db2.gz BOTWYEVRJATANF-ZDUSSCGKSA-N 1 2 347.415 3.872 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4cc(F)ccc4s3)n2)C1 ZINC000272362369 1029433257 /nfs/dbraw/zinc/43/32/57/1029433257.db2.gz BOTWYEVRJATANF-ZDUSSCGKSA-N 1 2 347.415 3.872 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(Br)n2)s1 ZINC000272420485 1029455079 /nfs/dbraw/zinc/45/50/79/1029455079.db2.gz NMBZCJKXEHOIPK-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](c2cccnc2)C(C)C)c1 ZINC000434175854 1029461736 /nfs/dbraw/zinc/46/17/36/1029461736.db2.gz ZYUNAACRORPKRZ-IBGZPJMESA-N 1 2 348.450 3.745 20 0 EHADLO CCCn1c2ccccc2nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000505313639 1029462828 /nfs/dbraw/zinc/46/28/28/1029462828.db2.gz HOCVQQHDAQQEPZ-UHFFFAOYSA-N 1 2 334.467 3.769 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454929894 1029467798 /nfs/dbraw/zinc/46/77/98/1029467798.db2.gz RFPJSMVAIJLFEL-ZIAGYGMSSA-N 1 2 343.858 3.851 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(OC(C)(C)C)cc3)n2)C1 ZINC000272642273 1029547129 /nfs/dbraw/zinc/54/71/29/1029547129.db2.gz LUCNRQBXWBHNNL-INIZCTEOSA-N 1 2 345.443 3.696 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(OC(C)(C)C)cc3)n2)C1 ZINC000272642273 1029547142 /nfs/dbraw/zinc/54/71/42/1029547142.db2.gz LUCNRQBXWBHNNL-INIZCTEOSA-N 1 2 345.443 3.696 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3)cc2OC)[nH]1 ZINC000272672447 1029559928 /nfs/dbraw/zinc/55/99/28/1029559928.db2.gz KXDFONKNYGYECE-CQSZACIVSA-N 1 2 336.439 3.894 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C[C@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000054495490 1029567258 /nfs/dbraw/zinc/56/72/58/1029567258.db2.gz DFDPXOJFAINOOO-CQSZACIVSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C[C@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000054495490 1029567265 /nfs/dbraw/zinc/56/72/65/1029567265.db2.gz DFDPXOJFAINOOO-CQSZACIVSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272691758 1029568072 /nfs/dbraw/zinc/56/80/72/1029568072.db2.gz UOOQGMSCCBJCOR-GOSISDBHSA-N 1 2 335.407 3.619 20 0 EHADLO Cc1ccccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272691758 1029568076 /nfs/dbraw/zinc/56/80/76/1029568076.db2.gz UOOQGMSCCBJCOR-GOSISDBHSA-N 1 2 335.407 3.619 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000455589972 1029622949 /nfs/dbraw/zinc/62/29/49/1029622949.db2.gz NPDXYSARMCOQDZ-KRWDZBQOSA-N 1 2 342.487 3.937 20 0 EHADLO CN(C)c1ccc(NCc2csc(COc3ccccc3)n2)[nH+]c1 ZINC000150914482 1029673702 /nfs/dbraw/zinc/67/37/02/1029673702.db2.gz MIBJLCIRTASZCI-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1cccc2[nH+]ccn21 ZINC000525106405 1029679769 /nfs/dbraw/zinc/67/97/69/1029679769.db2.gz MXKZTIRCVGQCTN-UHFFFAOYSA-N 1 2 330.391 3.901 20 0 EHADLO CC(C)COc1ncccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000343191334 1029687711 /nfs/dbraw/zinc/68/77/11/1029687711.db2.gz YEYWKMURKFSCHR-UHFFFAOYSA-N 1 2 336.395 3.554 20 0 EHADLO Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000446567378 1029690415 /nfs/dbraw/zinc/69/04/15/1029690415.db2.gz XMZYYSQIZUSIPL-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[nH+]1 ZINC000544414184 1029692846 /nfs/dbraw/zinc/69/28/46/1029692846.db2.gz TYPKNUYLMVFUSY-ZBFHGGJFSA-N 1 2 326.375 3.738 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000114724832 1029714578 /nfs/dbraw/zinc/71/45/78/1029714578.db2.gz SKZMNHMNQKFZTP-FQEVSTJZSA-N 1 2 338.451 3.537 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000114724832 1029714585 /nfs/dbraw/zinc/71/45/85/1029714585.db2.gz SKZMNHMNQKFZTP-FQEVSTJZSA-N 1 2 338.451 3.537 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000079880382 1029733672 /nfs/dbraw/zinc/73/36/72/1029733672.db2.gz HEWLDOAYECSBBH-NSHDSACASA-N 1 2 326.375 3.849 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000079880382 1029733680 /nfs/dbraw/zinc/73/36/80/1029733680.db2.gz HEWLDOAYECSBBH-NSHDSACASA-N 1 2 326.375 3.849 20 0 EHADLO C[C@@H]1C[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H](C)S1 ZINC000525271726 1029766977 /nfs/dbraw/zinc/76/69/77/1029766977.db2.gz INWIJPAIDBHHFY-XJKCOSOUSA-N 1 2 338.904 3.661 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000428623905 1029782450 /nfs/dbraw/zinc/78/24/50/1029782450.db2.gz IGBICJIHSPIJNI-OKZBNKHCSA-N 1 2 346.519 3.836 20 0 EHADLO Fc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211580176 1029813841 /nfs/dbraw/zinc/81/38/41/1029813841.db2.gz OQWOGUGVJYSKHV-ZDUSSCGKSA-N 1 2 333.313 3.741 20 0 EHADLO FC(F)(F)c1nc2ccccc2c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000728567228 1029819143 /nfs/dbraw/zinc/81/91/43/1029819143.db2.gz PGDDSPHFMBRLEG-LBPRGKRZSA-N 1 2 347.344 3.687 20 0 EHADLO CN(C)c1nc(C[N@H+](CCc2ccccc2F)C2CCCC2)ns1 ZINC000446862049 1029830172 /nfs/dbraw/zinc/83/01/72/1029830172.db2.gz OLBAHJVRIKZUPV-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO CN(C)c1nc(C[N@@H+](CCc2ccccc2F)C2CCCC2)ns1 ZINC000446862049 1029830180 /nfs/dbraw/zinc/83/01/80/1029830180.db2.gz OLBAHJVRIKZUPV-UHFFFAOYSA-N 1 2 348.491 3.731 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000508727609 1029836455 /nfs/dbraw/zinc/83/64/55/1029836455.db2.gz SMWJNMQTIODRLR-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000508727609 1029836463 /nfs/dbraw/zinc/83/64/63/1029836463.db2.gz SMWJNMQTIODRLR-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO CC(C)S(=O)(=O)CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000536028609 1029844680 /nfs/dbraw/zinc/84/46/80/1029844680.db2.gz VKBJKJCZTMLCHT-UHFFFAOYSA-N 1 2 339.476 3.518 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000525455380 1029854429 /nfs/dbraw/zinc/85/44/29/1029854429.db2.gz SWROKXCBYRGGKG-OAHLLOKOSA-N 1 2 335.860 3.698 20 0 EHADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1c2ccccc2-c2ccccc21 ZINC000156510438 1029861452 /nfs/dbraw/zinc/86/14/52/1029861452.db2.gz XLIYVMSNUIKFGE-HNNXBMFYSA-N 1 2 343.430 3.674 20 0 EHADLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127348611 1029870078 /nfs/dbraw/zinc/87/00/78/1029870078.db2.gz MDIONAOHMYXCIF-DOMZBBRYSA-N 1 2 348.834 3.660 20 0 EHADLO CC(C)(C)[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000278266243 1029872472 /nfs/dbraw/zinc/87/24/72/1029872472.db2.gz NYLSNCXZLGHVAL-MRXNPFEDSA-N 1 2 326.444 3.633 20 0 EHADLO CCN(C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1)CC(F)(F)F ZINC000151002792 1029880351 /nfs/dbraw/zinc/88/03/51/1029880351.db2.gz OKAQLHJKISDMHI-CQSZACIVSA-N 1 2 344.425 3.619 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000533838167 1029896481 /nfs/dbraw/zinc/89/64/81/1029896481.db2.gz TXYABMWGQBHQQR-UHFFFAOYSA-N 1 2 329.419 3.614 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)cs1 ZINC000447060326 1029897700 /nfs/dbraw/zinc/89/77/00/1029897700.db2.gz PEJBEPLCZQLRAF-CQSZACIVSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)cs1 ZINC000447060326 1029897722 /nfs/dbraw/zinc/89/77/22/1029897722.db2.gz PEJBEPLCZQLRAF-CQSZACIVSA-N 1 2 338.480 3.710 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624741 1029902500 /nfs/dbraw/zinc/90/25/00/1029902500.db2.gz UCFQJULXLASJHO-GJZGRUSLSA-N 1 2 349.496 3.762 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624741 1029902518 /nfs/dbraw/zinc/90/25/18/1029902518.db2.gz UCFQJULXLASJHO-GJZGRUSLSA-N 1 2 349.496 3.762 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624742 1029904206 /nfs/dbraw/zinc/90/42/06/1029904206.db2.gz UCFQJULXLASJHO-HUUCEWRRSA-N 1 2 349.496 3.762 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)cc1 ZINC000537624742 1029904217 /nfs/dbraw/zinc/90/42/17/1029904217.db2.gz UCFQJULXLASJHO-HUUCEWRRSA-N 1 2 349.496 3.762 20 0 EHADLO Cc1cc(N)nc(SCc2ccc(OCc3ccncc3)cc2)[nH+]1 ZINC000058198347 1029941518 /nfs/dbraw/zinc/94/15/18/1029941518.db2.gz RXPWCJAFCDUIHZ-UHFFFAOYSA-N 1 2 338.436 3.634 20 0 EHADLO CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000667948319 1029946190 /nfs/dbraw/zinc/94/61/90/1029946190.db2.gz YCCKGDHXJMEZSK-MRXNPFEDSA-N 1 2 345.874 3.928 20 0 EHADLO Cc1ccc(-c2cnc(CCC(=O)Nc3cccc4[nH+]ccn43)o2)cc1 ZINC000525619589 1029971877 /nfs/dbraw/zinc/97/18/77/1029971877.db2.gz AQTXAWMULFODDO-UHFFFAOYSA-N 1 2 346.390 3.869 20 0 EHADLO Cc1cnc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)s1 ZINC000481827022 1030003947 /nfs/dbraw/zinc/00/39/47/1030003947.db2.gz WZXUSOCDXVRKGI-KFWWJZLASA-N 1 2 336.501 3.926 20 0 EHADLO Cc1cnc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)s1 ZINC000481827022 1030003962 /nfs/dbraw/zinc/00/39/62/1030003962.db2.gz WZXUSOCDXVRKGI-KFWWJZLASA-N 1 2 336.501 3.926 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)ccc2F)c1 ZINC000120580565 1030067349 /nfs/dbraw/zinc/06/73/49/1030067349.db2.gz JBOXNHKHMFMNDX-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2cc(F)ccc2F)c1 ZINC000120580565 1030067366 /nfs/dbraw/zinc/06/73/66/1030067366.db2.gz JBOXNHKHMFMNDX-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1cscc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000120757171 1030086275 /nfs/dbraw/zinc/08/62/75/1030086275.db2.gz CJZFMYCSCUKKDF-UHFFFAOYSA-N 1 2 342.424 3.976 20 0 EHADLO COc1ccc(Br)cc1CSCCn1cc[nH+]c1 ZINC000090199632 1030087708 /nfs/dbraw/zinc/08/77/08/1030087708.db2.gz OWDXQQWIXSQNLL-UHFFFAOYSA-N 1 2 327.247 3.588 20 0 EHADLO FC(F)(F)Oc1ccc(OCCSCCn2cc[nH+]c2)cc1 ZINC000090201872 1030089652 /nfs/dbraw/zinc/08/96/52/1030089652.db2.gz QSMADBYFTJFEMM-UHFFFAOYSA-N 1 2 332.347 3.594 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2sccc21 ZINC000453322501 1030101334 /nfs/dbraw/zinc/10/13/34/1030101334.db2.gz PALBMJHXVQIFQN-BXKDBHETSA-N 1 2 340.290 3.972 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1 ZINC000090450285 1030115711 /nfs/dbraw/zinc/11/57/11/1030115711.db2.gz MKMQBPCMFBRIHP-OLZOCXBDSA-N 1 2 328.366 3.957 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1C[C@@H](C)n3ccnc31)CCC2 ZINC000453339805 1030124021 /nfs/dbraw/zinc/12/40/21/1030124021.db2.gz GWPQEKDZSBKDLK-BNOWGMLFSA-N 1 2 343.427 3.634 20 0 EHADLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000447352108 1030129608 /nfs/dbraw/zinc/12/96/08/1030129608.db2.gz WVSRSFLYGNLRTL-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000447352108 1030129615 /nfs/dbraw/zinc/12/96/15/1030129615.db2.gz WVSRSFLYGNLRTL-GOSISDBHSA-N 1 2 328.843 3.712 20 0 EHADLO Fc1cccnc1OC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000447355077 1030132230 /nfs/dbraw/zinc/13/22/30/1030132230.db2.gz OBXKYOHGVJEMSB-UHFFFAOYSA-N 1 2 333.432 3.598 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000525826240 1030148804 /nfs/dbraw/zinc/14/88/04/1030148804.db2.gz ZHIMIOPXGUYFHI-GOEBONIOSA-N 1 2 335.407 3.827 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453358901 1030154896 /nfs/dbraw/zinc/15/48/96/1030154896.db2.gz QBQCMDKYIWISGT-NEPJUHHUSA-N 1 2 337.851 3.985 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447398755 1030167715 /nfs/dbraw/zinc/16/77/15/1030167715.db2.gz SWZBWSMWDSVBAN-QGZVFWFLSA-N 1 2 349.482 3.723 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447398755 1030167720 /nfs/dbraw/zinc/16/77/20/1030167720.db2.gz SWZBWSMWDSVBAN-QGZVFWFLSA-N 1 2 349.482 3.723 20 0 EHADLO Cc1noc(C)c1CCNc1[nH+]ccc2cc(Br)ccc21 ZINC000567862345 1030181900 /nfs/dbraw/zinc/18/19/00/1030181900.db2.gz NIQSGVMVPIPTOC-UHFFFAOYSA-N 1 2 346.228 3.679 20 0 EHADLO COCc1ccc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000537634489 1030190804 /nfs/dbraw/zinc/19/08/04/1030190804.db2.gz MLUPZGSVKFACCC-OAHLLOKOSA-N 1 2 348.874 3.958 20 0 EHADLO COCc1ccc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000537634489 1030190821 /nfs/dbraw/zinc/19/08/21/1030190821.db2.gz MLUPZGSVKFACCC-OAHLLOKOSA-N 1 2 348.874 3.958 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC1CCCCC1 ZINC000428487011 1030223768 /nfs/dbraw/zinc/22/37/68/1030223768.db2.gz QCWMOZMIHFKAPI-UHFFFAOYSA-N 1 2 334.508 3.838 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)c[nH+]1 ZINC000583608403 1030274547 /nfs/dbraw/zinc/27/45/47/1030274547.db2.gz QONOCZLITWPZEU-MRXNPFEDSA-N 1 2 325.412 3.524 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1c(O)cccc1O ZINC000447575419 1030335403 /nfs/dbraw/zinc/33/54/03/1030335403.db2.gz SKSJRQJGEMQORG-UHFFFAOYSA-N 1 2 349.390 3.550 20 0 EHADLO c1csc([C@@H]([NH2+]CCCCCc2ccccc2)c2nnc[nH]2)c1 ZINC000583645478 1030361940 /nfs/dbraw/zinc/36/19/40/1030361940.db2.gz YNAFVFKEKMLFBF-QGZVFWFLSA-N 1 2 326.469 3.958 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069036 1030368256 /nfs/dbraw/zinc/36/82/56/1030368256.db2.gz GYPORTGGRGRSBF-ZWNOBZJWSA-N 1 2 327.350 3.787 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069036 1030368274 /nfs/dbraw/zinc/36/82/74/1030368274.db2.gz GYPORTGGRGRSBF-ZWNOBZJWSA-N 1 2 327.350 3.787 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(F)c(Cl)c2)CCN1 ZINC000092075553 1030373388 /nfs/dbraw/zinc/37/33/88/1030373388.db2.gz CSLNGNHYDIRYHY-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)c(Cl)c2)CCN1 ZINC000092075553 1030373404 /nfs/dbraw/zinc/37/34/04/1030373404.db2.gz CSLNGNHYDIRYHY-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO CC(F)(F)CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000429725299 1030383537 /nfs/dbraw/zinc/38/35/37/1030383537.db2.gz YNCCFTDZELGAQK-ZDUSSCGKSA-N 1 2 348.796 3.778 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2ccc(Cl)cc2n1C ZINC000453624236 1030387547 /nfs/dbraw/zinc/38/75/47/1030387547.db2.gz PZVWKTUUWRUMKF-UHFFFAOYSA-N 1 2 345.878 3.618 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2ccc(Cl)cc2n1C ZINC000453624236 1030387558 /nfs/dbraw/zinc/38/75/58/1030387558.db2.gz PZVWKTUUWRUMKF-UHFFFAOYSA-N 1 2 345.878 3.618 20 0 EHADLO CC(C)=CC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000583665033 1030404898 /nfs/dbraw/zinc/40/48/98/1030404898.db2.gz CAKIDSKWMZJIBM-UHFFFAOYSA-N 1 2 328.481 3.934 20 0 EHADLO COc1cccnc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000449748861 1030429122 /nfs/dbraw/zinc/42/91/22/1030429122.db2.gz NWXCXNGBNUQQTE-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO c1coc(C[N@H+](Cc2cccc3c2OCCCO3)C[C@H]2CCCO2)c1 ZINC000092436172 1030453450 /nfs/dbraw/zinc/45/34/50/1030453450.db2.gz UMUJTQZQPIVEGT-GOSISDBHSA-N 1 2 343.423 3.622 20 0 EHADLO c1coc(C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]2CCCO2)c1 ZINC000092436172 1030453457 /nfs/dbraw/zinc/45/34/57/1030453457.db2.gz UMUJTQZQPIVEGT-GOSISDBHSA-N 1 2 343.423 3.622 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000532267656 1030515615 /nfs/dbraw/zinc/51/56/15/1030515615.db2.gz UMJVZAQDQBRFIO-UHFFFAOYSA-N 1 2 326.440 3.657 20 0 EHADLO O=C(CCc1cc2ccccc2o1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343371272 1030540675 /nfs/dbraw/zinc/54/06/75/1030540675.db2.gz UUTGOBNJKCWVJD-UHFFFAOYSA-N 1 2 346.390 3.644 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](c2cccs2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000532348814 1030575045 /nfs/dbraw/zinc/57/50/45/1030575045.db2.gz VPQYZYJMEOXOMM-UKPHBRMFSA-N 1 2 344.484 3.688 20 0 EHADLO Cc1cc(Cl)cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343375816 1030575182 /nfs/dbraw/zinc/57/51/82/1030575182.db2.gz QHDOLHZJKDJELS-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236630 1030575657 /nfs/dbraw/zinc/57/56/57/1030575657.db2.gz LARAAINKRAEBIN-LPHOPBHVSA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236630 1030575669 /nfs/dbraw/zinc/57/56/69/1030575669.db2.gz LARAAINKRAEBIN-LPHOPBHVSA-N 1 2 325.456 3.732 20 0 EHADLO O=C(c1ccc(Nc2cccnc2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668090506 1030585911 /nfs/dbraw/zinc/58/59/11/1030585911.db2.gz MLEYXDLWLXLBRA-INIZCTEOSA-N 1 2 347.422 3.568 20 0 EHADLO COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000060524603 1030597088 /nfs/dbraw/zinc/59/70/88/1030597088.db2.gz YXKXFFJRNOQQSB-BJMVGYQFSA-N 1 2 349.390 3.541 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3C[C@@H](C)OC(C)(C)C3)o2)cc1C ZINC000246620463 1030601883 /nfs/dbraw/zinc/60/18/83/1030601883.db2.gz NOOIBSYKVUJXOU-HUUCEWRRSA-N 1 2 329.444 3.914 20 0 EHADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3C[C@@H](C)OC(C)(C)C3)o2)cc1C ZINC000246620463 1030601894 /nfs/dbraw/zinc/60/18/94/1030601894.db2.gz NOOIBSYKVUJXOU-HUUCEWRRSA-N 1 2 329.444 3.914 20 0 EHADLO COc1c(C)cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1C ZINC000093413270 1030608349 /nfs/dbraw/zinc/60/83/49/1030608349.db2.gz MESVYLBTAMNLIW-GOSISDBHSA-N 1 2 339.483 3.586 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@H](Cc3ccccc3)C(C)C)[nH+]c12 ZINC000527057281 1030611279 /nfs/dbraw/zinc/61/12/79/1030611279.db2.gz STEOVSOOYRTBON-IBGZPJMESA-N 1 2 349.478 3.816 20 0 EHADLO CCC(C)(C)c1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000448119958 1030623604 /nfs/dbraw/zinc/62/36/04/1030623604.db2.gz TVERRWBLGYDYTI-JKSUJKDBSA-N 1 2 347.503 3.605 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1OC ZINC000093660690 1030649531 /nfs/dbraw/zinc/64/95/31/1030649531.db2.gz BHDAWSILUALNIE-QAPCUYQASA-N 1 2 327.424 3.666 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1OC ZINC000093660690 1030649538 /nfs/dbraw/zinc/64/95/38/1030649538.db2.gz BHDAWSILUALNIE-QAPCUYQASA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923750964 1030665638 /nfs/dbraw/zinc/66/56/38/1030665638.db2.gz KLRFAPLRPKXQLI-MRXNPFEDSA-N 1 2 326.400 3.501 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760348 1030667166 /nfs/dbraw/zinc/66/71/66/1030667166.db2.gz NEDUSHPVTYCTIX-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760348 1030667182 /nfs/dbraw/zinc/66/71/82/1030667182.db2.gz NEDUSHPVTYCTIX-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccnn1C)[C@H](c1ccccc1)C2 ZINC000093812035 1030680092 /nfs/dbraw/zinc/68/00/92/1030680092.db2.gz KXBRJDZVYMUZMS-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccnn1C)[C@H](c1ccccc1)C2 ZINC000093812035 1030680097 /nfs/dbraw/zinc/68/00/97/1030680097.db2.gz KXBRJDZVYMUZMS-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(SC)cc1OC ZINC000093841202 1030681418 /nfs/dbraw/zinc/68/14/18/1030681418.db2.gz QBDZNAGLZWJWOM-KRWDZBQOSA-N 1 2 349.452 3.592 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(SC)cc1OC ZINC000093841202 1030681427 /nfs/dbraw/zinc/68/14/27/1030681427.db2.gz QBDZNAGLZWJWOM-KRWDZBQOSA-N 1 2 349.452 3.592 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC ZINC000093841682 1030682875 /nfs/dbraw/zinc/68/28/75/1030682875.db2.gz LQMYDLJUOFJPDL-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO CCCOc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC ZINC000093841682 1030682886 /nfs/dbraw/zinc/68/28/86/1030682886.db2.gz LQMYDLJUOFJPDL-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]1c1ccccc1 ZINC000332986390 1030689129 /nfs/dbraw/zinc/68/91/29/1030689129.db2.gz ICBOOHDCVAJQRH-ROUUACIJSA-N 1 2 338.455 3.525 20 0 EHADLO c1ncc(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)[nH]1 ZINC000360042550 1030719155 /nfs/dbraw/zinc/71/91/55/1030719155.db2.gz WRWRGIPEEITZJZ-HNNXBMFYSA-N 1 2 343.475 3.685 20 0 EHADLO c1ncc(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)[nH]1 ZINC000360042550 1030719174 /nfs/dbraw/zinc/71/91/74/1030719174.db2.gz WRWRGIPEEITZJZ-HNNXBMFYSA-N 1 2 343.475 3.685 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239021 1030727790 /nfs/dbraw/zinc/72/77/90/1030727790.db2.gz BXVUXZGJGVUCTI-RDTXWAMCSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239021 1030727800 /nfs/dbraw/zinc/72/78/00/1030727800.db2.gz BXVUXZGJGVUCTI-RDTXWAMCSA-N 1 2 336.501 3.571 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CSc3ccccc31)C2 ZINC000527247621 1030735996 /nfs/dbraw/zinc/73/59/96/1030735996.db2.gz JOLVQZAGZVJTHD-BLLLJJGKSA-N 1 2 341.480 3.601 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CSc3ccccc31)CC2 ZINC000527247621 1030736013 /nfs/dbraw/zinc/73/60/13/1030736013.db2.gz JOLVQZAGZVJTHD-BLLLJJGKSA-N 1 2 341.480 3.601 20 0 EHADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000171129911 1030764784 /nfs/dbraw/zinc/76/47/84/1030764784.db2.gz BHWLRNOSJYPAAT-ZDUSSCGKSA-N 1 2 338.386 3.652 20 0 EHADLO C[C@H](CC(=O)Nc1nc2c(ccc3c2CCCC3)s1)n1cc[nH+]c1 ZINC000568096326 1030766834 /nfs/dbraw/zinc/76/68/34/1030766834.db2.gz XFTSKUKCMNTWTP-GFCCVEGCSA-N 1 2 340.452 3.961 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000343419106 1030800879 /nfs/dbraw/zinc/80/08/79/1030800879.db2.gz IQAQXZNHLPDEEW-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO Cc1[nH]c(CN(C)Cc2cc(Br)ccc2F)[nH+]c1C ZINC000628131808 1030848461 /nfs/dbraw/zinc/84/84/61/1030848461.db2.gz KKWQKHRUIOHNJL-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000194268867 1030862800 /nfs/dbraw/zinc/86/28/00/1030862800.db2.gz KUJZWQAWXGFDGY-UHFFFAOYSA-N 1 2 327.424 3.929 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000194268867 1030862827 /nfs/dbraw/zinc/86/28/27/1030862827.db2.gz KUJZWQAWXGFDGY-UHFFFAOYSA-N 1 2 327.424 3.929 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2=O)cs1 ZINC000115600090 1030884471 /nfs/dbraw/zinc/88/44/71/1030884471.db2.gz XOKDDCLKRDITEX-IUODEOHRSA-N 1 2 347.459 3.691 20 0 EHADLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000653748413 1030886180 /nfs/dbraw/zinc/88/61/80/1030886180.db2.gz IIENFQZVZOKLNK-ZDUSSCGKSA-N 1 2 347.821 3.611 20 0 EHADLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000653748413 1030886202 /nfs/dbraw/zinc/88/62/02/1030886202.db2.gz IIENFQZVZOKLNK-ZDUSSCGKSA-N 1 2 347.821 3.611 20 0 EHADLO CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000668200020 1030943170 /nfs/dbraw/zinc/94/31/70/1030943170.db2.gz KHTRPLYSEMLMHX-KURKYZTESA-N 1 2 341.455 3.580 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000115985059 1030958043 /nfs/dbraw/zinc/95/80/43/1030958043.db2.gz SVOIJASULKSLBL-CABCVRRESA-N 1 2 339.345 3.893 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000172721503 1030982187 /nfs/dbraw/zinc/98/21/87/1030982187.db2.gz NVYFKEKQQMUEIC-INIZCTEOSA-N 1 2 349.434 3.805 20 0 EHADLO O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172723687 1030984043 /nfs/dbraw/zinc/98/40/43/1030984043.db2.gz DMJYDHRZZDFUSK-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483177651 1031013691 /nfs/dbraw/zinc/01/36/91/1031013691.db2.gz MLZXJVSIHOIPGF-SJKOYZFVSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483177651 1031013702 /nfs/dbraw/zinc/01/37/02/1031013702.db2.gz MLZXJVSIHOIPGF-SJKOYZFVSA-N 1 2 327.827 3.810 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3s2)cc(OC)c1 ZINC000098142489 1031015201 /nfs/dbraw/zinc/01/52/01/1031015201.db2.gz ZBRXINKBUBXPFR-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)cc(OC)c1 ZINC000098142489 1031015220 /nfs/dbraw/zinc/01/52/20/1031015220.db2.gz ZBRXINKBUBXPFR-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO Cc1csc(C[NH2+]Cc2ccc(Br)c(F)c2F)n1 ZINC000527634161 1031060996 /nfs/dbraw/zinc/06/09/96/1031060996.db2.gz AXAVBHNONROLNO-UHFFFAOYSA-N 1 2 333.201 3.782 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](CC(F)(F)F)C(C)C)C2 ZINC000476907564 1031063241 /nfs/dbraw/zinc/06/32/41/1031063241.db2.gz GTCVWHLGAVLCID-BXUZGUMPSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](CC(F)(F)F)C(C)C)CC2 ZINC000476907564 1031063257 /nfs/dbraw/zinc/06/32/57/1031063257.db2.gz GTCVWHLGAVLCID-BXUZGUMPSA-N 1 2 345.409 3.731 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000760540058 1031108560 /nfs/dbraw/zinc/10/85/60/1031108560.db2.gz YCNUKWQXFNWDHX-UHFFFAOYSA-N 1 2 346.500 3.610 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(COc2ccccc2)n(C)c1=S ZINC000760540058 1031108577 /nfs/dbraw/zinc/10/85/77/1031108577.db2.gz YCNUKWQXFNWDHX-UHFFFAOYSA-N 1 2 346.500 3.610 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000760538228 1031109912 /nfs/dbraw/zinc/10/99/12/1031109912.db2.gz XQPFGBXQLLWFQX-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000760538228 1031109921 /nfs/dbraw/zinc/10/99/21/1031109921.db2.gz XQPFGBXQLLWFQX-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173937875 1031134973 /nfs/dbraw/zinc/13/49/73/1031134973.db2.gz NHQZSKCAUVATHI-UONOGXRCSA-N 1 2 338.411 3.865 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483388037 1031143400 /nfs/dbraw/zinc/14/34/00/1031143400.db2.gz YNNVKMONQIDNOC-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483388037 1031143412 /nfs/dbraw/zinc/14/34/12/1031143412.db2.gz YNNVKMONQIDNOC-XNJGSVPQSA-N 1 2 327.827 3.810 20 0 EHADLO CCCCc1noc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533927670 1031151095 /nfs/dbraw/zinc/15/10/95/1031151095.db2.gz GJJYWFZYTMSSMP-OAHLLOKOSA-N 1 2 335.835 3.719 20 0 EHADLO CCCCc1noc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533927670 1031151108 /nfs/dbraw/zinc/15/11/08/1031151108.db2.gz GJJYWFZYTMSSMP-OAHLLOKOSA-N 1 2 335.835 3.719 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043431 1031158971 /nfs/dbraw/zinc/15/89/71/1031158971.db2.gz AMUANYMWCVCJGV-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043431 1031158985 /nfs/dbraw/zinc/15/89/85/1031158985.db2.gz AMUANYMWCVCJGV-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CCC1 ZINC000483437873 1031172115 /nfs/dbraw/zinc/17/21/15/1031172115.db2.gz HIFNECBNKCIGDT-JTQLQIEISA-N 1 2 347.789 3.857 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CCC1 ZINC000483437873 1031172127 /nfs/dbraw/zinc/17/21/27/1031172127.db2.gz HIFNECBNKCIGDT-JTQLQIEISA-N 1 2 347.789 3.857 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cn1 ZINC000343505289 1031179713 /nfs/dbraw/zinc/17/97/13/1031179713.db2.gz MSGOHWBPZONXLR-XPTSAGLGSA-N 1 2 329.202 3.912 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCO[C@H]3CCCC[C@@H]3C)CCO2)c1 ZINC000483518052 1031206774 /nfs/dbraw/zinc/20/67/74/1031206774.db2.gz HLRVOYMDPCDLSB-VDGAXYAQSA-N 1 2 333.472 3.664 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCO[C@H]3CCCC[C@@H]3C)CCO2)c1 ZINC000483518052 1031206784 /nfs/dbraw/zinc/20/67/84/1031206784.db2.gz HLRVOYMDPCDLSB-VDGAXYAQSA-N 1 2 333.472 3.664 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000483540249 1031211758 /nfs/dbraw/zinc/21/17/58/1031211758.db2.gz FHUMOLVWNUEPFW-AWEZNQCLSA-N 1 2 329.387 3.840 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000483540249 1031211771 /nfs/dbraw/zinc/21/17/71/1031211771.db2.gz FHUMOLVWNUEPFW-AWEZNQCLSA-N 1 2 329.387 3.840 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000174650966 1031240712 /nfs/dbraw/zinc/24/07/12/1031240712.db2.gz YNDNVQZZPMQQMB-CTNGQTDRSA-N 1 2 329.403 3.715 20 0 EHADLO CNC(=O)CC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000174998015 1031266125 /nfs/dbraw/zinc/26/61/25/1031266125.db2.gz TZPNVHMRFZLWAU-UHFFFAOYSA-N 1 2 335.517 3.539 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000158398384 1031308581 /nfs/dbraw/zinc/30/85/81/1031308581.db2.gz MLQAZXPOSHNSOP-OAHLLOKOSA-N 1 2 336.867 3.837 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)n1 ZINC000527852640 1031322962 /nfs/dbraw/zinc/32/29/62/1031322962.db2.gz OGYRASIMWHSPCX-QGZVFWFLSA-N 1 2 346.434 3.793 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1Cl ZINC000175663077 1031325124 /nfs/dbraw/zinc/32/51/24/1031325124.db2.gz PDODCHBESGYLBC-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC(C)(C)OC(=O)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000560197329 1031337109 /nfs/dbraw/zinc/33/71/09/1031337109.db2.gz PSGXFONOSNGVAE-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO CC(C)(C)OC(=O)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000560197329 1031337130 /nfs/dbraw/zinc/33/71/30/1031337130.db2.gz PSGXFONOSNGVAE-UHFFFAOYSA-N 1 2 340.261 3.539 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000685248109 1031347827 /nfs/dbraw/zinc/34/78/27/1031347827.db2.gz OTPPQFQDVNTITP-UHFFFAOYSA-N 1 2 345.752 3.999 20 0 EHADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000175610140 1031353233 /nfs/dbraw/zinc/35/32/33/1031353233.db2.gz JCJSSZPKZABGCB-LBPRGKRZSA-N 1 2 342.424 3.597 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000151341565 1031362994 /nfs/dbraw/zinc/36/29/94/1031362994.db2.gz ZVOIDXOPZCTUOG-UXHICEINSA-N 1 2 337.467 3.764 20 0 EHADLO CCc1nsc(N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)n1 ZINC000527296759 1031371377 /nfs/dbraw/zinc/37/13/77/1031371377.db2.gz HNWSOSDPKXMDGN-ARJAWSKDSA-N 1 2 348.903 3.589 20 0 EHADLO O=C(c1ccc2c(c1)CCC=C2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000551487636 1031383599 /nfs/dbraw/zinc/38/35/99/1031383599.db2.gz AQNVVHDATJBVFJ-UHFFFAOYSA-N 1 2 338.476 3.666 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000116882716 1031400366 /nfs/dbraw/zinc/40/03/66/1031400366.db2.gz RIOGWOKGAHPGGA-UHFFFAOYSA-N 1 2 339.395 3.681 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)o1 ZINC000116894222 1031402452 /nfs/dbraw/zinc/40/24/52/1031402452.db2.gz FPVJPXGGEOSRSH-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)o1 ZINC000116894222 1031402467 /nfs/dbraw/zinc/40/24/67/1031402467.db2.gz FPVJPXGGEOSRSH-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc2NC1=O ZINC000483961064 1031403669 /nfs/dbraw/zinc/40/36/69/1031403669.db2.gz LAKUCPBROUDETB-QGZVFWFLSA-N 1 2 332.806 3.864 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc2NC1=O ZINC000483961064 1031403679 /nfs/dbraw/zinc/40/36/79/1031403679.db2.gz LAKUCPBROUDETB-QGZVFWFLSA-N 1 2 332.806 3.864 20 0 EHADLO COc1ccc([C@@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000176139879 1031416149 /nfs/dbraw/zinc/41/61/49/1031416149.db2.gz HILZWUDLQGOPOW-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO c1nnc([C@@H]([NH2+]CC2CCc3ccccc3CC2)c2ccccc2)[nH]1 ZINC000527926603 1031417366 /nfs/dbraw/zinc/41/73/66/1031417366.db2.gz FEJKNXYWBPAUSU-FQEVSTJZSA-N 1 2 332.451 3.679 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168152916 1031436691 /nfs/dbraw/zinc/43/66/91/1031436691.db2.gz CLNFWEIPSQQIGV-IUODEOHRSA-N 1 2 329.893 3.545 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1=C(c2ccccc2)CCC1 ZINC000448668179 1031444109 /nfs/dbraw/zinc/44/41/09/1031444109.db2.gz ABQPRMAZDYOVIQ-UHFFFAOYSA-N 1 2 335.451 3.516 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)n1 ZINC000527921792 1031457567 /nfs/dbraw/zinc/45/75/67/1031457567.db2.gz QLBIRONZLRBCST-ZDUSSCGKSA-N 1 2 341.484 3.505 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccc21 ZINC000551586968 1031474912 /nfs/dbraw/zinc/47/49/12/1031474912.db2.gz TXESGBNUEJNQRO-LJQANCHMSA-N 1 2 345.368 3.922 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccc21 ZINC000551586968 1031474921 /nfs/dbraw/zinc/47/49/21/1031474921.db2.gz TXESGBNUEJNQRO-LJQANCHMSA-N 1 2 345.368 3.922 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)c1ccncn1 ZINC000527951403 1031482742 /nfs/dbraw/zinc/48/27/42/1031482742.db2.gz RSVSNWFUCLLDLM-RKDXNWHRSA-N 1 2 342.187 3.929 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC=CC[C@H]2C)c(C)c1 ZINC000551613566 1031493168 /nfs/dbraw/zinc/49/31/68/1031493168.db2.gz JWJRFUJZQQNDOT-AHRSYUTCSA-N 1 2 337.467 3.960 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000176844837 1031495228 /nfs/dbraw/zinc/49/52/28/1031495228.db2.gz VHKZAZPYASQXCF-GQCTYLIASA-N 1 2 335.382 3.731 20 0 EHADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000083953236 1031539495 /nfs/dbraw/zinc/53/94/95/1031539495.db2.gz MDAPFLMDGWFBLH-DAOPMYJZSA-N 1 2 334.391 3.931 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cncn1C)[C@H](c1ccccc1)C2 ZINC000177461307 1031542346 /nfs/dbraw/zinc/54/23/46/1031542346.db2.gz ZYHDHJCPJPYGBF-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cncn1C)[C@H](c1ccccc1)C2 ZINC000177461307 1031542350 /nfs/dbraw/zinc/54/23/50/1031542350.db2.gz ZYHDHJCPJPYGBF-NRFANRHFSA-N 1 2 333.435 3.728 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1C(F)(F)F ZINC000177786828 1031568380 /nfs/dbraw/zinc/56/83/80/1031568380.db2.gz KUHICUUREWMOGV-UHFFFAOYSA-N 1 2 334.301 3.675 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000347440573 1031588430 /nfs/dbraw/zinc/58/84/30/1031588430.db2.gz KLLNHCJABJKILZ-MRXNPFEDSA-N 1 2 335.407 3.700 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000080630167 1031597219 /nfs/dbraw/zinc/59/72/19/1031597219.db2.gz GLGKHRPHHNDPFB-LPHOPBHVSA-N 1 2 340.471 3.825 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000448759186 1031609011 /nfs/dbraw/zinc/60/90/11/1031609011.db2.gz MVMBFMHYMOPFAV-GJZGRUSLSA-N 1 2 341.480 3.653 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000448759186 1031609021 /nfs/dbraw/zinc/60/90/21/1031609021.db2.gz MVMBFMHYMOPFAV-GJZGRUSLSA-N 1 2 341.480 3.653 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cn(C(C)C)nc3C)CCO2)cc1 ZINC000343620104 1031657309 /nfs/dbraw/zinc/65/73/09/1031657309.db2.gz LGKXARADHARSJL-FQEVSTJZSA-N 1 2 327.472 3.908 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)CCO2)cc1 ZINC000343620104 1031657316 /nfs/dbraw/zinc/65/73/16/1031657316.db2.gz LGKXARADHARSJL-FQEVSTJZSA-N 1 2 327.472 3.908 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1 ZINC000343623477 1031660123 /nfs/dbraw/zinc/66/01/23/1031660123.db2.gz MORSTACHOIYAQO-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1 ZINC000343623477 1031660128 /nfs/dbraw/zinc/66/01/28/1031660128.db2.gz MORSTACHOIYAQO-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO Fc1cc(Br)cn2c(NC3(c4ccccn4)CC3)c[nH+]c12 ZINC001168153929 1031679091 /nfs/dbraw/zinc/67/90/91/1031679091.db2.gz CFZKPNHQXHHBDK-UHFFFAOYSA-N 1 2 347.191 3.732 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000178359700 1031685484 /nfs/dbraw/zinc/68/54/84/1031685484.db2.gz FVGVCRCRCRGLJC-QWHCGFSZSA-N 1 2 343.789 3.547 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](CCSc3ccccc3)CCO2)cc1 ZINC000484540973 1031702605 /nfs/dbraw/zinc/70/26/05/1031702605.db2.gz FKAPIXWTQGRMLO-SFHVURJKSA-N 1 2 329.465 3.559 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](CCSc3ccccc3)CCO2)cc1 ZINC000484540973 1031702619 /nfs/dbraw/zinc/70/26/19/1031702619.db2.gz FKAPIXWTQGRMLO-SFHVURJKSA-N 1 2 329.465 3.559 20 0 EHADLO CSc1ccccc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000194944571 1031774472 /nfs/dbraw/zinc/77/44/72/1031774472.db2.gz YBOFHTKOIAKLRV-AWEZNQCLSA-N 1 2 329.469 3.813 20 0 EHADLO O=C(Nc1nc(-c2ccco2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117609825 1031778034 /nfs/dbraw/zinc/77/80/34/1031778034.db2.gz FXGVKCZGVUZDOL-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000179663047 1031795445 /nfs/dbraw/zinc/79/54/45/1031795445.db2.gz NMCPMQLFARAIFA-SNVBAGLBSA-N 1 2 329.391 3.529 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000179663047 1031795453 /nfs/dbraw/zinc/79/54/53/1031795453.db2.gz NMCPMQLFARAIFA-SNVBAGLBSA-N 1 2 329.391 3.529 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@@H](c2cccc(F)c2)C1)n1cc[nH+]c1 ZINC000635506200 1031828832 /nfs/dbraw/zinc/82/88/32/1031828832.db2.gz PJURTRJSYFFPAK-AEFFLSMTSA-N 1 2 329.419 3.626 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc(C)c(C)s1 ZINC000477758180 1031836794 /nfs/dbraw/zinc/83/67/94/1031836794.db2.gz AWCBGVFXYUQWIW-JKSUJKDBSA-N 1 2 336.501 3.704 20 0 EHADLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc(C)c(C)s1 ZINC000477758180 1031836813 /nfs/dbraw/zinc/83/68/13/1031836813.db2.gz AWCBGVFXYUQWIW-JKSUJKDBSA-N 1 2 336.501 3.704 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc(C)c(C)s1 ZINC000477758175 1031838188 /nfs/dbraw/zinc/83/81/88/1031838188.db2.gz AWCBGVFXYUQWIW-CVEARBPZSA-N 1 2 336.501 3.704 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc(C)c(C)s1 ZINC000477758175 1031838200 /nfs/dbraw/zinc/83/82/00/1031838200.db2.gz AWCBGVFXYUQWIW-CVEARBPZSA-N 1 2 336.501 3.704 20 0 EHADLO O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000117752923 1031847648 /nfs/dbraw/zinc/84/76/48/1031847648.db2.gz QPEUTVRJZSKPNG-OAHLLOKOSA-N 1 2 333.391 3.767 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@H]1c1nccs1 ZINC000117787720 1031855417 /nfs/dbraw/zinc/85/54/17/1031855417.db2.gz DGFPPBIUPKKYPP-INIZCTEOSA-N 1 2 338.436 3.696 20 0 EHADLO c1sc(C2CCCC2)nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000180468948 1031859120 /nfs/dbraw/zinc/85/91/20/1031859120.db2.gz HUJCBVRMJTWQCH-UHFFFAOYSA-N 1 2 342.512 3.514 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)c1 ZINC000448905796 1031865219 /nfs/dbraw/zinc/86/52/19/1031865219.db2.gz CRACIFIUKPIBKA-LAUBAEHRSA-N 1 2 342.483 3.647 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@]2(C)CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000448912824 1031881217 /nfs/dbraw/zinc/88/12/17/1031881217.db2.gz TYLWOJPVMYYGET-QINHECLXSA-N 1 2 330.472 3.845 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](Cc2cccnc2)C2CCCC2)n1 ZINC000904265441 1031893792 /nfs/dbraw/zinc/89/37/92/1031893792.db2.gz YOPIOYOINWHPKB-QGZVFWFLSA-N 1 2 349.438 3.934 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccc3c(c2)CCCCC3=O)n1 ZINC000904268006 1031895493 /nfs/dbraw/zinc/89/54/93/1031895493.db2.gz MKWTVCSMNPUIQZ-UHFFFAOYSA-N 1 2 334.379 3.598 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000904272123 1031898195 /nfs/dbraw/zinc/89/81/95/1031898195.db2.gz KQDAOQYLCAMWAV-NXEZZACHSA-N 1 2 326.322 3.858 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1 ZINC000180713443 1031900464 /nfs/dbraw/zinc/90/04/64/1031900464.db2.gz NSLDEDHJPCOFGP-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1 ZINC000180713443 1031900481 /nfs/dbraw/zinc/90/04/81/1031900481.db2.gz NSLDEDHJPCOFGP-UHFFFAOYSA-N 1 2 330.453 3.520 20 0 EHADLO Cc1sccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927625 1031902101 /nfs/dbraw/zinc/90/21/01/1031902101.db2.gz IUIIFGTVIZKLIM-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2ccnc(SC(C)(C)C)c2)n1 ZINC000904260992 1031903793 /nfs/dbraw/zinc/90/37/93/1031903793.db2.gz WDIKFHROFRNBKG-UHFFFAOYSA-N 1 2 341.440 3.975 20 0 EHADLO Cc1cc(C)c(C)c(OCCc2nc(-c3ccc(N)[nH+]c3C)no2)c1 ZINC000904258020 1031904649 /nfs/dbraw/zinc/90/46/49/1031904649.db2.gz IQUREVJZHAYAQP-UHFFFAOYSA-N 1 2 338.411 3.569 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000117875734 1031915413 /nfs/dbraw/zinc/91/54/13/1031915413.db2.gz MWRVMCXTZAQCAR-IBGZPJMESA-N 1 2 331.456 3.714 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000180987559 1031933660 /nfs/dbraw/zinc/93/36/60/1031933660.db2.gz YIKMDFCRRMCXRQ-KXPUMZMLSA-N 1 2 344.484 3.612 20 0 EHADLO CC[NH+](CC)Cc1nc(COc2cccc(C(F)(F)F)c2)no1 ZINC000528228919 1031933717 /nfs/dbraw/zinc/93/37/17/1031933717.db2.gz BZESAWIJTWMAAE-UHFFFAOYSA-N 1 2 329.322 3.509 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)no1 ZINC000537843071 1031958112 /nfs/dbraw/zinc/95/81/12/1031958112.db2.gz IKSDXGRNSUBXNK-INIZCTEOSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)no1 ZINC000537843071 1031958123 /nfs/dbraw/zinc/95/81/23/1031958123.db2.gz IKSDXGRNSUBXNK-INIZCTEOSA-N 1 2 325.456 3.981 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)s1 ZINC000195018184 1031962733 /nfs/dbraw/zinc/96/27/33/1031962733.db2.gz DTEXFPBGHCTPHW-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)s1 ZINC000195018184 1031962746 /nfs/dbraw/zinc/96/27/46/1031962746.db2.gz DTEXFPBGHCTPHW-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1cn(-c2ccccc2)nn1 ZINC000181339093 1031973854 /nfs/dbraw/zinc/97/38/54/1031973854.db2.gz MGLJNIHMWMZTEM-STQMWFEESA-N 1 2 327.819 3.728 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347487540 1031990167 /nfs/dbraw/zinc/99/01/67/1031990167.db2.gz RAWDMRZIGIGNEA-PKOBYXMFSA-N 1 2 339.483 3.785 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1 ZINC000181561102 1032006028 /nfs/dbraw/zinc/00/60/28/1032006028.db2.gz UOUMPRXZFSCRSN-NSHDSACASA-N 1 2 329.787 3.946 20 0 EHADLO Cc1cc(-c2noc(Cc3cn4cc(F)ccc4[nH+]3)n2)ccc1F ZINC000904400608 1032015411 /nfs/dbraw/zinc/01/54/11/1032015411.db2.gz MFCMTYUUBIESAB-UHFFFAOYSA-N 1 2 326.306 3.562 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000181711213 1032020453 /nfs/dbraw/zinc/02/04/53/1032020453.db2.gz OLRFMPRNXOTYPQ-MRXNPFEDSA-N 1 2 328.460 3.722 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000173425949 1033302253 /nfs/dbraw/zinc/30/22/53/1033302253.db2.gz BEDPGNRWYIKRHL-OAHLLOKOSA-N 1 2 326.535 3.744 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000173425949 1033302266 /nfs/dbraw/zinc/30/22/66/1033302266.db2.gz BEDPGNRWYIKRHL-OAHLLOKOSA-N 1 2 326.535 3.744 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000761057944 1033318509 /nfs/dbraw/zinc/31/85/09/1033318509.db2.gz RQXNMFIJMTZHNN-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000761057944 1033318525 /nfs/dbraw/zinc/31/85/25/1033318525.db2.gz RQXNMFIJMTZHNN-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000574622746 1033324537 /nfs/dbraw/zinc/32/45/37/1033324537.db2.gz QJPKAXAIXFBRPT-CYBMUJFWSA-N 1 2 332.473 3.736 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000574622746 1033324550 /nfs/dbraw/zinc/32/45/50/1033324550.db2.gz QJPKAXAIXFBRPT-CYBMUJFWSA-N 1 2 332.473 3.736 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000594381200 1033341321 /nfs/dbraw/zinc/34/13/21/1033341321.db2.gz OEXAOSRZOZVZTM-UHFFFAOYSA-N 1 2 325.362 3.929 20 0 EHADLO CC[N@H+](CCCC(=O)OC)Cc1ncc(C(F)(F)F)cc1Cl ZINC001142534380 1033345088 /nfs/dbraw/zinc/34/50/88/1033345088.db2.gz HQMWZXIEAXGACG-UHFFFAOYSA-N 1 2 338.757 3.529 20 0 EHADLO CC[N@@H+](CCCC(=O)OC)Cc1ncc(C(F)(F)F)cc1Cl ZINC001142534380 1033345106 /nfs/dbraw/zinc/34/51/06/1033345106.db2.gz HQMWZXIEAXGACG-UHFFFAOYSA-N 1 2 338.757 3.529 20 0 EHADLO CSCCc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000603091156 1033354477 /nfs/dbraw/zinc/35/44/77/1033354477.db2.gz ZSHUAHVLKOOTMV-OAHLLOKOSA-N 1 2 344.484 3.727 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486971 1033369513 /nfs/dbraw/zinc/36/95/13/1033369513.db2.gz YFKJIZVRIMOLGV-QWHCGFSZSA-N 1 2 328.551 3.733 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486971 1033369519 /nfs/dbraw/zinc/36/95/19/1033369519.db2.gz YFKJIZVRIMOLGV-QWHCGFSZSA-N 1 2 328.551 3.733 20 0 EHADLO COc1ccc(Nc2nn(C[N@@H+]3CCC[C@@H]3C)c(=S)s2)cc1 ZINC000173527759 1033399381 /nfs/dbraw/zinc/39/93/81/1033399381.db2.gz RNCTZSSUQBHGCV-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO COc1ccc(Nc2nn(C[N@H+]3CCC[C@@H]3C)c(=S)s2)cc1 ZINC000173527759 1033399397 /nfs/dbraw/zinc/39/93/97/1033399397.db2.gz RNCTZSSUQBHGCV-NSHDSACASA-N 1 2 336.486 3.868 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000898278909 1033424656 /nfs/dbraw/zinc/42/46/56/1033424656.db2.gz PQXBHTLOXJUARV-UHFFFAOYSA-N 1 2 335.782 3.975 20 0 EHADLO CC(C)(C)c1coc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000898300908 1033443643 /nfs/dbraw/zinc/44/36/43/1033443643.db2.gz KOVKLNXKEHXDFT-CQSZACIVSA-N 1 2 338.411 3.856 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCSC2CCCCC2)c1 ZINC000594629498 1033469669 /nfs/dbraw/zinc/46/96/69/1033469669.db2.gz RNNLKBCCXBBLIH-GOSISDBHSA-N 1 2 332.513 3.534 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCSC2CCCCC2)c1 ZINC000594629498 1033469681 /nfs/dbraw/zinc/46/96/81/1033469681.db2.gz RNNLKBCCXBBLIH-GOSISDBHSA-N 1 2 332.513 3.534 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608260148 1033553264 /nfs/dbraw/zinc/55/32/64/1033553264.db2.gz SMTQEDGDCNFIOD-SFHVURJKSA-N 1 2 334.423 3.834 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045007868 1033573490 /nfs/dbraw/zinc/57/34/90/1033573490.db2.gz VEEWSHQZPHWUCO-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045007868 1033573499 /nfs/dbraw/zinc/57/34/99/1033573499.db2.gz VEEWSHQZPHWUCO-QGZVFWFLSA-N 1 2 332.831 3.729 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1cccc(Cl)c1 ZINC000608313436 1033614056 /nfs/dbraw/zinc/61/40/56/1033614056.db2.gz WSSIBCQGIQUMSJ-GFCCVEGCSA-N 1 2 344.802 3.577 20 0 EHADLO CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000608313940 1033615010 /nfs/dbraw/zinc/61/50/10/1033615010.db2.gz VFOBJIHGADTUMW-LBPRGKRZSA-N 1 2 343.456 3.887 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000595030472 1033652786 /nfs/dbraw/zinc/65/27/86/1033652786.db2.gz ZRJIOBYONKABEM-CYBMUJFWSA-N 1 2 333.407 3.791 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450061046 1033654140 /nfs/dbraw/zinc/65/41/40/1033654140.db2.gz LGEGLSKJQUIKQV-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450061046 1033654148 /nfs/dbraw/zinc/65/41/48/1033654148.db2.gz LGEGLSKJQUIKQV-UHFFFAOYSA-N 1 2 337.345 3.757 20 0 EHADLO C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651065 1033676231 /nfs/dbraw/zinc/67/62/31/1033676231.db2.gz ZXOUSMTYXYPQKE-MNOVXSKESA-N 1 2 326.322 3.529 20 0 EHADLO CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651283 1033681021 /nfs/dbraw/zinc/68/10/21/1033681021.db2.gz FVLGIVGOVQHNCA-KRWDZBQOSA-N 1 2 349.438 3.597 20 0 EHADLO Cc1cc(N(Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000343807421 1033683306 /nfs/dbraw/zinc/68/33/06/1033683306.db2.gz OADLZWQUESIFOG-GDBMZVCRSA-N 1 2 341.480 3.668 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)nc2c1 ZINC000595343059 1033735987 /nfs/dbraw/zinc/73/59/87/1033735987.db2.gz VRGPFEANYQVEFG-YJYMSZOUSA-N 1 2 335.407 3.543 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)nc2c1 ZINC000595343059 1033736005 /nfs/dbraw/zinc/73/60/05/1033736005.db2.gz VRGPFEANYQVEFG-YJYMSZOUSA-N 1 2 335.407 3.543 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000608553402 1033756683 /nfs/dbraw/zinc/75/66/83/1033756683.db2.gz DERZICKKDZGRSU-QGZVFWFLSA-N 1 2 337.423 3.652 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(c2ccccc2)CCC1 ZINC000081945501 1033772766 /nfs/dbraw/zinc/77/27/66/1033772766.db2.gz LTUPKOHLWGDCLM-UHFFFAOYSA-N 1 2 331.419 3.610 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000595424600 1033794356 /nfs/dbraw/zinc/79/43/56/1033794356.db2.gz HCXBLBBOQBSHOY-QGZVFWFLSA-N 1 2 328.412 3.725 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000450117715 1033798391 /nfs/dbraw/zinc/79/83/91/1033798391.db2.gz UCOZMMGDLVJPDN-KMANFZQXSA-N 1 2 343.858 3.750 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000595426657 1033798867 /nfs/dbraw/zinc/79/88/67/1033798867.db2.gz RBVMGUGOBYGALK-YJBOKZPZSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000595426657 1033798882 /nfs/dbraw/zinc/79/88/82/1033798882.db2.gz RBVMGUGOBYGALK-YJBOKZPZSA-N 1 2 344.842 3.514 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3CCCCCC3)CC2)cc1 ZINC000174199066 1033801842 /nfs/dbraw/zinc/80/18/42/1033801842.db2.gz XFVHJMSGMXAIBR-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151379 1033814868 /nfs/dbraw/zinc/81/48/68/1033814868.db2.gz XTULEECBICJEOG-RDTXWAMCSA-N 1 2 330.472 3.816 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151379 1033814883 /nfs/dbraw/zinc/81/48/83/1033814883.db2.gz XTULEECBICJEOG-RDTXWAMCSA-N 1 2 330.472 3.816 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCC3CCCC3)CC2)cc1 ZINC000174190121 1033815207 /nfs/dbraw/zinc/81/52/07/1033815207.db2.gz KHRYUIQGKJQUAK-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000655779602 1033822605 /nfs/dbraw/zinc/82/26/05/1033822605.db2.gz ONAXNZJCXYBIAQ-BLLLJJGKSA-N 1 2 341.846 3.826 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000450161607 1033826014 /nfs/dbraw/zinc/82/60/14/1033826014.db2.gz PDRCVHOANJSVNY-UHFFFAOYSA-N 1 2 329.444 3.613 20 0 EHADLO FC(F)c1nc2ccccc2c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000595537880 1033827500 /nfs/dbraw/zinc/82/75/00/1033827500.db2.gz TUTRTUYYWVNFEN-LBPRGKRZSA-N 1 2 329.354 3.605 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C)c(O)c3)cn2c1 ZINC000476437327 1033847027 /nfs/dbraw/zinc/84/70/27/1033847027.db2.gz OQLKFQFDOWGMBE-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO CCC[C@@H](CC(C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000450174708 1033855053 /nfs/dbraw/zinc/85/50/53/1033855053.db2.gz UKHZTRKTTMZUBU-INIZCTEOSA-N 1 2 333.476 3.628 20 0 EHADLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ncccc1Cl ZINC000599311957 1033857997 /nfs/dbraw/zinc/85/79/97/1033857997.db2.gz OFAHLTHXZHQCAB-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ncccc1Cl ZINC000599311957 1033858011 /nfs/dbraw/zinc/85/80/11/1033858011.db2.gz OFAHLTHXZHQCAB-UHFFFAOYSA-N 1 2 332.831 3.690 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000599297422 1033861546 /nfs/dbraw/zinc/86/15/46/1033861546.db2.gz PWDPSUVROUUTPA-OAHLLOKOSA-N 1 2 349.887 3.810 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000599297422 1033861567 /nfs/dbraw/zinc/86/15/67/1033861567.db2.gz PWDPSUVROUUTPA-OAHLLOKOSA-N 1 2 349.887 3.810 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 ZINC000608729157 1033867788 /nfs/dbraw/zinc/86/77/88/1033867788.db2.gz QTGRGNHERQYDQN-KRWDZBQOSA-N 1 2 340.471 3.726 20 0 EHADLO CC[N@@H+](Cc1nc(CCC(C)C)no1)C[C@H](O)c1ccc(C)cc1 ZINC000174278195 1033890710 /nfs/dbraw/zinc/89/07/10/1033890710.db2.gz FRCBEHNFSJTGGB-KRWDZBQOSA-N 1 2 331.460 3.522 20 0 EHADLO CC[N@H+](Cc1nc(CCC(C)C)no1)C[C@H](O)c1ccc(C)cc1 ZINC000174278195 1033890720 /nfs/dbraw/zinc/89/07/20/1033890720.db2.gz FRCBEHNFSJTGGB-KRWDZBQOSA-N 1 2 331.460 3.522 20 0 EHADLO CCC(CC)CN(CC)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943254 1033893077 /nfs/dbraw/zinc/89/30/77/1033893077.db2.gz CPHKKVNPVIBZHZ-UHFFFAOYSA-N 1 2 332.492 3.518 20 0 EHADLO C[N@H+](CCOc1ccccc1Cl)Cc1ccn(CC(F)(F)F)n1 ZINC000450209432 1033897148 /nfs/dbraw/zinc/89/71/48/1033897148.db2.gz AOKVMMQABYOSCM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1ccccc1Cl)Cc1ccn(CC(F)(F)F)n1 ZINC000450209432 1033897152 /nfs/dbraw/zinc/89/71/52/1033897152.db2.gz AOKVMMQABYOSCM-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO Brc1ccoc1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000227363304 1033949532 /nfs/dbraw/zinc/94/95/32/1033949532.db2.gz ZIEVMQMGUJPHQL-CYBMUJFWSA-N 1 2 339.233 3.562 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cs1 ZINC000658107141 1033960404 /nfs/dbraw/zinc/96/04/04/1033960404.db2.gz OJVMHSUXPNHVLZ-GXTWGEPZSA-N 1 2 329.469 3.505 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)c3ncccc3c1)C2 ZINC000612399153 1033961684 /nfs/dbraw/zinc/96/16/84/1033961684.db2.gz VMERCWOOTFMAJW-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)c3ncccc3c1)C2 ZINC000612399153 1033961700 /nfs/dbraw/zinc/96/17/00/1033961700.db2.gz VMERCWOOTFMAJW-UHFFFAOYSA-N 1 2 332.403 3.846 20 0 EHADLO CCn1c(C)nn(C[N@H+](C)Cc2cccc3ccccc32)c1=S ZINC000171024313 1033966628 /nfs/dbraw/zinc/96/66/28/1033966628.db2.gz HCXRQFLVZOVCCF-UHFFFAOYSA-N 1 2 326.469 3.985 20 0 EHADLO CCn1c(C)nn(C[N@@H+](C)Cc2cccc3ccccc32)c1=S ZINC000171024313 1033966643 /nfs/dbraw/zinc/96/66/43/1033966643.db2.gz HCXRQFLVZOVCCF-UHFFFAOYSA-N 1 2 326.469 3.985 20 0 EHADLO O=C([C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063131 1033981912 /nfs/dbraw/zinc/98/19/12/1033981912.db2.gz FQGBOMVQTSZSDT-MOPGFXCFSA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063131 1033981932 /nfs/dbraw/zinc/98/19/32/1033981932.db2.gz FQGBOMVQTSZSDT-MOPGFXCFSA-N 1 2 337.467 3.775 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)Nc2ccc3[nH+]ccn3c2)ccc1Cl ZINC000603883657 1034007220 /nfs/dbraw/zinc/00/72/20/1034007220.db2.gz INVKDODEHIBRDX-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2cccc(C)c2Br)c[nH+]1 ZINC000529466637 1034021010 /nfs/dbraw/zinc/02/10/10/1034021010.db2.gz JQGMRBXSCCGHOH-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591806 1034031331 /nfs/dbraw/zinc/03/13/31/1034031331.db2.gz WBBYTRPQPAXEQK-YJBOKZPZSA-N 1 2 347.503 3.798 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591806 1034031341 /nfs/dbraw/zinc/03/13/41/1034031341.db2.gz WBBYTRPQPAXEQK-YJBOKZPZSA-N 1 2 347.503 3.798 20 0 EHADLO O=C(N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1(C2CCC2)CCC1 ZINC000456030440 1034040800 /nfs/dbraw/zinc/04/08/00/1034040800.db2.gz QZBBGYFVBGQFCH-UHFFFAOYSA-N 1 2 341.499 3.896 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056874035 1034057912 /nfs/dbraw/zinc/05/79/12/1034057912.db2.gz LOPGHBIQFZJZSN-QGZVFWFLSA-N 1 2 342.418 3.569 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026810 1034061760 /nfs/dbraw/zinc/06/17/60/1034061760.db2.gz XKKWTFHGVAXVHQ-UUWFMWQGSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026810 1034061778 /nfs/dbraw/zinc/06/17/78/1034061778.db2.gz XKKWTFHGVAXVHQ-UUWFMWQGSA-N 1 2 334.410 3.573 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)CC(=O)c2ccccc2)c1 ZINC000118974805 1034067980 /nfs/dbraw/zinc/06/79/80/1034067980.db2.gz RALOFEMNHDGACK-INIZCTEOSA-N 1 2 347.418 3.572 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895509 1034073377 /nfs/dbraw/zinc/07/33/77/1034073377.db2.gz PGHQCVQFIVIYRA-UHFFFAOYSA-N 1 2 328.460 3.840 20 0 EHADLO CN(C)c1nc(N2CCC[C@H](c3nccs3)C2)[nH+]c2ccccc21 ZINC000450297130 1034075257 /nfs/dbraw/zinc/07/52/57/1034075257.db2.gz HPIMIOBVCASAGD-ZDUSSCGKSA-N 1 2 339.468 3.536 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000450313829 1034098167 /nfs/dbraw/zinc/09/81/67/1034098167.db2.gz MCNIPEGTXQBYEM-KBPBESRZSA-N 1 2 346.368 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000450313829 1034098175 /nfs/dbraw/zinc/09/81/75/1034098175.db2.gz MCNIPEGTXQBYEM-KBPBESRZSA-N 1 2 346.368 3.508 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2nsc3ccccc23)Cc2ccccc21 ZINC000599680514 1034110551 /nfs/dbraw/zinc/11/05/51/1034110551.db2.gz MVPFJDBGNZFFGB-INIZCTEOSA-N 1 2 338.432 3.569 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2nsc3ccccc23)Cc2ccccc21 ZINC000599680514 1034110561 /nfs/dbraw/zinc/11/05/61/1034110561.db2.gz MVPFJDBGNZFFGB-INIZCTEOSA-N 1 2 338.432 3.569 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc(Br)c2)[C@H](C)C1 ZINC000599712833 1034120748 /nfs/dbraw/zinc/12/07/48/1034120748.db2.gz XNDZUXOYSDSZPW-NXEZZACHSA-N 1 2 346.290 3.673 20 0 EHADLO c1csc(-c2cnc(C[NH+]3CCC(Nc4ccccn4)CC3)o2)c1 ZINC000534125879 1034148652 /nfs/dbraw/zinc/14/86/52/1034148652.db2.gz DILBTIGECJDCRP-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000450348573 1034158987 /nfs/dbraw/zinc/15/89/87/1034158987.db2.gz SAHRXKYTADAHHE-VOBQZIQPSA-N 1 2 347.405 3.503 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000450348573 1034158997 /nfs/dbraw/zinc/15/89/97/1034158997.db2.gz SAHRXKYTADAHHE-VOBQZIQPSA-N 1 2 347.405 3.503 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560087 1034172367 /nfs/dbraw/zinc/17/23/67/1034172367.db2.gz YCOFLAKHPCNNES-JTNHKYCSSA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560087 1034172374 /nfs/dbraw/zinc/17/23/74/1034172374.db2.gz YCOFLAKHPCNNES-JTNHKYCSSA-N 1 2 335.391 3.535 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)no2)c1 ZINC000450359372 1034195551 /nfs/dbraw/zinc/19/55/51/1034195551.db2.gz VTSVZBUUWFBDGN-OAHLLOKOSA-N 1 2 338.386 3.569 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)no2)c1 ZINC000450359372 1034195566 /nfs/dbraw/zinc/19/55/66/1034195566.db2.gz VTSVZBUUWFBDGN-OAHLLOKOSA-N 1 2 338.386 3.569 20 0 EHADLO CC(C)Oc1cc(Cl)c(CN2CCn3c[nH+]cc3C2)cc1Cl ZINC000529575577 1034205630 /nfs/dbraw/zinc/20/56/30/1034205630.db2.gz CKWCLRVFFOYXRC-UHFFFAOYSA-N 1 2 340.254 3.993 20 0 EHADLO CCn1c[nH+]cc1CNc1ccccc1CNC(=O)OC(C)(C)C ZINC000310054836 1034210260 /nfs/dbraw/zinc/21/02/60/1034210260.db2.gz YZLOEFNBVBDLOV-UHFFFAOYSA-N 1 2 330.432 3.540 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000119741901 1034211163 /nfs/dbraw/zinc/21/11/63/1034211163.db2.gz GGJKWFTVKMRDDR-IBGZPJMESA-N 1 2 343.430 3.702 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)CC1=CCSC1 ZINC000596553956 1034287664 /nfs/dbraw/zinc/28/76/64/1034287664.db2.gz OXXXFWGLELGVSS-UHFFFAOYSA-N 1 2 328.437 3.521 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450416253 1034301869 /nfs/dbraw/zinc/30/18/69/1034301869.db2.gz GLBPPCWERGZMOX-AWEZNQCLSA-N 1 2 327.350 3.938 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)o1 ZINC000450416253 1034301880 /nfs/dbraw/zinc/30/18/80/1034301880.db2.gz GLBPPCWERGZMOX-AWEZNQCLSA-N 1 2 327.350 3.938 20 0 EHADLO C[C@@H](c1ccc(C[N@@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416903 1034303853 /nfs/dbraw/zinc/30/38/53/1034303853.db2.gz BEFBLYIWCNQDIM-KWEKOBGCSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@@H](c1ccc(C[N@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416903 1034303868 /nfs/dbraw/zinc/30/38/68/1034303868.db2.gz BEFBLYIWCNQDIM-KWEKOBGCSA-N 1 2 333.419 3.694 20 0 EHADLO O=C(CCC1CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604312859 1034323338 /nfs/dbraw/zinc/32/33/38/1034323338.db2.gz GGYYHSLVSWFRHL-INIZCTEOSA-N 1 2 338.854 3.922 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccsc2C(F)(F)F)n1 ZINC000529635912 1034324772 /nfs/dbraw/zinc/32/47/72/1034324772.db2.gz SSYRKIKBCRRTNU-UHFFFAOYSA-N 1 2 331.363 3.596 20 0 EHADLO OCCC1(CNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450456636 1034364666 /nfs/dbraw/zinc/36/46/66/1034364666.db2.gz YBDRNVJEQHKIIN-UHFFFAOYSA-N 1 2 339.208 3.711 20 0 EHADLO O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121059467 1034366801 /nfs/dbraw/zinc/36/68/01/1034366801.db2.gz UWFYLWMQBRBASZ-CYBMUJFWSA-N 1 2 337.206 3.682 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456381909 1034377159 /nfs/dbraw/zinc/37/71/59/1034377159.db2.gz ONZKBQYUUCAEIQ-CRAIPNDOSA-N 1 2 343.858 3.853 20 0 EHADLO OCCC[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCCc2ccccc21 ZINC000450468595 1034380768 /nfs/dbraw/zinc/38/07/68/1034380768.db2.gz MKLQGWKDLZEWLE-QGZVFWFLSA-N 1 2 343.496 3.678 20 0 EHADLO OCCC[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCCc2ccccc21 ZINC000450468595 1034380782 /nfs/dbraw/zinc/38/07/82/1034380782.db2.gz MKLQGWKDLZEWLE-QGZVFWFLSA-N 1 2 343.496 3.678 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3C)o2)CCO1 ZINC000529664301 1034387541 /nfs/dbraw/zinc/38/75/41/1034387541.db2.gz CMNHLRFQIYCYQB-QGZVFWFLSA-N 1 2 333.403 3.631 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3C)o2)CCO1 ZINC000529664301 1034387552 /nfs/dbraw/zinc/38/75/52/1034387552.db2.gz CMNHLRFQIYCYQB-QGZVFWFLSA-N 1 2 333.403 3.631 20 0 EHADLO Cc1cc(NC(=O)NCc2cccc(COC(C)(C)C)c2)c(C)c[nH+]1 ZINC000534323913 1034397680 /nfs/dbraw/zinc/39/76/80/1034397680.db2.gz SKDMRAGJFAYGDT-UHFFFAOYSA-N 1 2 341.455 3.757 20 0 EHADLO CCN(Cc1ccc(C)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604600013 1034420135 /nfs/dbraw/zinc/42/01/35/1034420135.db2.gz BBKFTXXXKPMAOX-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C1CCCC1 ZINC000604600232 1034420890 /nfs/dbraw/zinc/42/08/90/1034420890.db2.gz PHMFHCVIKHTZNZ-IBGZPJMESA-N 1 2 338.455 3.737 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](Cc2ccccc2)OC)n1 ZINC000450502307 1034434767 /nfs/dbraw/zinc/43/47/67/1034434767.db2.gz SDEPSLSNSFQXFH-GOEBONIOSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](Cc2ccccc2)OC)n1 ZINC000450502307 1034434772 /nfs/dbraw/zinc/43/47/72/1034434772.db2.gz SDEPSLSNSFQXFH-GOEBONIOSA-N 1 2 349.500 3.573 20 0 EHADLO O=C(Nc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030604539 1034459258 /nfs/dbraw/zinc/45/92/58/1034459258.db2.gz SOPREWMIQHAHJU-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO CC1=C(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394484 1034472566 /nfs/dbraw/zinc/47/25/66/1034472566.db2.gz JYAKDJAAEGSCPG-DLBZAZTESA-N 1 2 336.838 3.841 20 0 EHADLO CC1=C(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394484 1034472577 /nfs/dbraw/zinc/47/25/77/1034472577.db2.gz JYAKDJAAEGSCPG-DLBZAZTESA-N 1 2 336.838 3.841 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000604769959 1034486044 /nfs/dbraw/zinc/48/60/44/1034486044.db2.gz BAPHCTSPQMRZNV-QGZVFWFLSA-N 1 2 328.412 3.772 20 0 EHADLO COCCN(Cc1ccc(C)cc1C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000604757047 1034499985 /nfs/dbraw/zinc/49/99/85/1034499985.db2.gz XQBZAQIRIHHZLJ-UHFFFAOYSA-N 1 2 325.456 3.932 20 0 EHADLO CC(C)c1ccc(NC(=S)NCCCNc2cccc[nH+]2)cc1 ZINC000060433707 1034516369 /nfs/dbraw/zinc/51/63/69/1034516369.db2.gz HEUSBAPRIOMXLF-UHFFFAOYSA-N 1 2 328.485 3.994 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000450558719 1034519529 /nfs/dbraw/zinc/51/95/29/1034519529.db2.gz JLFLAYLUTJBWHB-FQEVSTJZSA-N 1 2 335.455 3.576 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000450558719 1034519536 /nfs/dbraw/zinc/51/95/36/1034519536.db2.gz JLFLAYLUTJBWHB-FQEVSTJZSA-N 1 2 335.455 3.576 20 0 EHADLO Cc1ccnc([C@H](C)[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000375802479 1034558980 /nfs/dbraw/zinc/55/89/80/1034558980.db2.gz UICIOMOWXQBXSK-YOEHRIQHSA-N 1 2 337.427 3.883 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)s1 ZINC000343812546 1034564599 /nfs/dbraw/zinc/56/45/99/1034564599.db2.gz KRDXKDHMCHZJGV-SECBINFHSA-N 1 2 343.399 3.561 20 0 EHADLO C[C@@H]1[C@@H](CO)CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000413600668 1034570287 /nfs/dbraw/zinc/57/02/87/1034570287.db2.gz YYUWPOBEUSPRPO-VXGBXAGGSA-N 1 2 335.245 3.595 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc3ccsc32)C1 ZINC000534484588 1034592412 /nfs/dbraw/zinc/59/24/12/1034592412.db2.gz OCKIQCOMQWSZRG-CYBMUJFWSA-N 1 2 326.425 3.656 20 0 EHADLO CCCCOc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000605085212 1034623609 /nfs/dbraw/zinc/62/36/09/1034623609.db2.gz XAFNZRGBMIBZGD-UHFFFAOYSA-N 1 2 349.434 3.981 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000375827555 1034653104 /nfs/dbraw/zinc/65/31/04/1034653104.db2.gz ZSONGTYBZDNKAI-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000375827555 1034653112 /nfs/dbraw/zinc/65/31/12/1034653112.db2.gz ZSONGTYBZDNKAI-RYUDHWBXSA-N 1 2 334.407 3.801 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546173 1034656408 /nfs/dbraw/zinc/65/64/08/1034656408.db2.gz WUSALXNPKGWBGC-HNNXBMFYSA-N 1 2 342.361 3.607 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546173 1034656418 /nfs/dbraw/zinc/65/64/18/1034656418.db2.gz WUSALXNPKGWBGC-HNNXBMFYSA-N 1 2 342.361 3.607 20 0 EHADLO C[C@@H](Cc1ccsc1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000584465523 1034657754 /nfs/dbraw/zinc/65/77/54/1034657754.db2.gz MUTBOZMNTQLCDJ-YOEHRIQHSA-N 1 2 339.464 3.741 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000450664581 1034661848 /nfs/dbraw/zinc/66/18/48/1034661848.db2.gz UTUYHDCRAIGGRY-VIFPVBQESA-N 1 2 344.358 3.799 20 0 EHADLO Cc1ccnc(-c2noc(C[NH2+][C@H](C)c3ccc(C)c(F)c3)n2)c1 ZINC000450689292 1034693728 /nfs/dbraw/zinc/69/37/28/1034693728.db2.gz XOPBVNWWMDXZLV-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO FC(F)(F)c1cccc([C@H]([NH2+]CC2CC(F)(F)C2)c2nnc[nH]2)c1 ZINC000450764013 1034758000 /nfs/dbraw/zinc/75/80/00/1034758000.db2.gz VSBPFCBQPIGZFP-LBPRGKRZSA-N 1 2 346.303 3.548 20 0 EHADLO Cc1cc(C)c(CNC(=O)Cc2ccc(Br)cc2C)c[nH+]1 ZINC000456845615 1034763040 /nfs/dbraw/zinc/76/30/40/1034763040.db2.gz SBOACBXCXYQIBS-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c[nH+]1 ZINC000456846904 1034765774 /nfs/dbraw/zinc/76/57/74/1034765774.db2.gz UCSNAWGWIWQMHK-SFHVURJKSA-N 1 2 326.440 3.871 20 0 EHADLO Cc1ccc(C(C)C)cc1OCC(=O)NCCCNc1cccc[nH+]1 ZINC000605544911 1034769880 /nfs/dbraw/zinc/76/98/80/1034769880.db2.gz JMEZCEKHPITICC-UHFFFAOYSA-N 1 2 341.455 3.511 20 0 EHADLO CCc1onc(-c2ccccc2)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456833918 1034776922 /nfs/dbraw/zinc/77/69/22/1034776922.db2.gz GTOXAGIZPQSQIY-UHFFFAOYSA-N 1 2 335.407 3.846 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000529940899 1034798663 /nfs/dbraw/zinc/79/86/63/1034798663.db2.gz PCZMLEAAWOQBSJ-OAHLLOKOSA-N 1 2 348.450 3.930 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000529940211 1034800470 /nfs/dbraw/zinc/80/04/70/1034800470.db2.gz DYUKOYZQMUMXSF-OAHLLOKOSA-N 1 2 348.450 3.930 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000529941757 1034801123 /nfs/dbraw/zinc/80/11/23/1034801123.db2.gz SLUCTSQZPCIXEJ-UHFFFAOYSA-N 1 2 329.831 3.551 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCOc2ccc(C(C)C)cc2)c[nH+]1 ZINC000456869269 1034801459 /nfs/dbraw/zinc/80/14/59/1034801459.db2.gz YGEQNKYTVIMPRI-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1OCc1ccncc1 ZINC000584474838 1034802864 /nfs/dbraw/zinc/80/28/64/1034802864.db2.gz JGDFTEPQHPYMHH-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1OCc1ccncc1 ZINC000584474838 1034802866 /nfs/dbraw/zinc/80/28/66/1034802866.db2.gz JGDFTEPQHPYMHH-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456855040 1034811251 /nfs/dbraw/zinc/81/12/51/1034811251.db2.gz RCDLEDUYRLNHOK-WBVHZDCISA-N 1 2 327.403 3.641 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cccc(Cl)c1O)c1cccc(Cl)c1 ZINC000605888005 1034836899 /nfs/dbraw/zinc/83/68/99/1034836899.db2.gz BCVFCAZFILODLI-AWEZNQCLSA-N 1 2 339.222 3.940 20 0 EHADLO Fc1ccc(C[N@H+](Cc2nnc(C3CC3)s2)C2CCOCC2)cc1 ZINC000450846641 1034858921 /nfs/dbraw/zinc/85/89/21/1034858921.db2.gz MVESPBZRHZKPCT-UHFFFAOYSA-N 1 2 347.459 3.736 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2nnc(C3CC3)s2)C2CCOCC2)cc1 ZINC000450846641 1034858930 /nfs/dbraw/zinc/85/89/30/1034858930.db2.gz MVESPBZRHZKPCT-UHFFFAOYSA-N 1 2 347.459 3.736 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(c3ccnn3CC)CC2)cs1 ZINC000375917649 1034914859 /nfs/dbraw/zinc/91/48/59/1034914859.db2.gz GTAWZOUFIURWPY-AWEZNQCLSA-N 1 2 348.516 3.837 20 0 EHADLO CCc1cc2c(ccn(Cc3[nH+]cc(C)c(OC)c3C)c2=O)s1 ZINC000530121163 1034990543 /nfs/dbraw/zinc/99/05/43/1034990543.db2.gz KFYLBJZGJMYESV-UHFFFAOYSA-N 1 2 328.437 3.694 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CSC3CCC3)n2)CC1 ZINC000450985915 1035000858 /nfs/dbraw/zinc/00/08/58/1035000858.db2.gz MEJSJQBCTGOYCD-UHFFFAOYSA-N 1 2 339.530 3.599 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451000397 1035021161 /nfs/dbraw/zinc/02/11/61/1035021161.db2.gz PIAOUQNFJYLRCW-UKRRQHHQSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451000397 1035021171 /nfs/dbraw/zinc/02/11/71/1035021171.db2.gz PIAOUQNFJYLRCW-UKRRQHHQSA-N 1 2 345.393 3.566 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451027416 1035046376 /nfs/dbraw/zinc/04/63/76/1035046376.db2.gz WGOLZIRMVKZDFO-KRWDZBQOSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451027416 1035046385 /nfs/dbraw/zinc/04/63/85/1035046385.db2.gz WGOLZIRMVKZDFO-KRWDZBQOSA-N 1 2 329.488 3.502 20 0 EHADLO Cc1nonc1[C@@H](C)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000924550573 1035085251 /nfs/dbraw/zinc/08/52/51/1035085251.db2.gz GUGLUXGXZVXKPF-MLGOLLRUSA-N 1 2 334.851 3.519 20 0 EHADLO Cc1cc(C)cc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000066006645 1035096351 /nfs/dbraw/zinc/09/63/51/1035096351.db2.gz OQUBJTLIPONXFK-MRXNPFEDSA-N 1 2 330.501 3.901 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000066006623 1035096587 /nfs/dbraw/zinc/09/65/87/1035096587.db2.gz RETYKPOWYYOWOW-HZPDHXFCSA-N 1 2 338.565 3.978 20 0 EHADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000628315235 1035196108 /nfs/dbraw/zinc/19/61/08/1035196108.db2.gz DHCVPMWPWOYMLR-AWEZNQCLSA-N 1 2 334.261 3.688 20 0 EHADLO Cc1c[nH]c(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000628315235 1035196112 /nfs/dbraw/zinc/19/61/12/1035196112.db2.gz DHCVPMWPWOYMLR-AWEZNQCLSA-N 1 2 334.261 3.688 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)s1 ZINC000414063707 1035426683 /nfs/dbraw/zinc/42/66/83/1035426683.db2.gz DEUPQSMXUATLHG-NOZJJQNGSA-N 1 2 336.844 3.921 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(Br)c1)c1cc2n(n1)CCC2 ZINC000414064208 1035428446 /nfs/dbraw/zinc/42/84/46/1035428446.db2.gz NHFIBPXNCFTYKX-SECBINFHSA-N 1 2 326.263 3.504 20 0 EHADLO CCCOc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414068702 1035437472 /nfs/dbraw/zinc/43/74/72/1035437472.db2.gz IQLPDHWBDQAOII-LBPRGKRZSA-N 1 2 334.441 3.569 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000511466054 1035482426 /nfs/dbraw/zinc/48/24/26/1035482426.db2.gz ZJFSVMYCHWKVQY-MRXNPFEDSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc2n(n1)CCC2 ZINC000414099720 1035495451 /nfs/dbraw/zinc/49/54/51/1035495451.db2.gz QQYBEMGMCPIFAA-OAHLLOKOSA-N 1 2 345.450 3.918 20 0 EHADLO C[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463442876 1035511121 /nfs/dbraw/zinc/51/11/21/1035511121.db2.gz HZZPYRVLZMFSOW-BDAKNGLRSA-N 1 2 345.287 3.727 20 0 EHADLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463442876 1035511125 /nfs/dbraw/zinc/51/11/25/1035511125.db2.gz HZZPYRVLZMFSOW-BDAKNGLRSA-N 1 2 345.287 3.727 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127245997 1035521167 /nfs/dbraw/zinc/52/11/67/1035521167.db2.gz KZPCSWQPMHHTGZ-UONOGXRCSA-N 1 2 332.444 3.622 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(F)s1 ZINC001127245997 1035521178 /nfs/dbraw/zinc/52/11/78/1035521178.db2.gz KZPCSWQPMHHTGZ-UONOGXRCSA-N 1 2 332.444 3.622 20 0 EHADLO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccn2cc[nH+]c2c1 ZINC000571605304 1035564909 /nfs/dbraw/zinc/56/49/09/1035564909.db2.gz FEIJOAHZHIIMIX-NEPJUHHUSA-N 1 2 340.349 3.825 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000456993618 1035610968 /nfs/dbraw/zinc/61/09/68/1035610968.db2.gz STOAUNCYSIXOLZ-JIYIMXKPSA-N 1 2 335.451 3.689 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc(O)c1 ZINC000186463547 1035638920 /nfs/dbraw/zinc/63/89/20/1035638920.db2.gz MOHUWLSRTFPFTP-GFCCVEGCSA-N 1 2 342.830 3.692 20 0 EHADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000186486801 1035641710 /nfs/dbraw/zinc/64/17/10/1035641710.db2.gz YZPYPCJBNAVRLE-UHFFFAOYSA-N 1 2 344.361 3.590 20 0 EHADLO CC1(C)CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000173815317 1035648434 /nfs/dbraw/zinc/64/84/34/1035648434.db2.gz NTICNPINGNPLPM-UHFFFAOYSA-N 1 2 345.668 3.773 20 0 EHADLO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000173815317 1035648441 /nfs/dbraw/zinc/64/84/41/1035648441.db2.gz NTICNPINGNPLPM-UHFFFAOYSA-N 1 2 345.668 3.773 20 0 EHADLO C[C@@H](c1ccccc1F)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000613393862 1035742961 /nfs/dbraw/zinc/74/29/61/1035742961.db2.gz JXBWEQVSIYCMAW-KRWDZBQOSA-N 1 2 328.431 3.583 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(COC)c1 ZINC000534914072 1035753611 /nfs/dbraw/zinc/75/36/11/1035753611.db2.gz DDBUMKQBEAYDAP-FQEVSTJZSA-N 1 2 341.451 3.959 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(COC)c1 ZINC000534914072 1035753627 /nfs/dbraw/zinc/75/36/27/1035753627.db2.gz DDBUMKQBEAYDAP-FQEVSTJZSA-N 1 2 341.451 3.959 20 0 EHADLO Cc1c(Cl)cc(F)c(NC(=O)NCCCCn2cc[nH+]c2)c1F ZINC000534908935 1035771870 /nfs/dbraw/zinc/77/18/70/1035771870.db2.gz JLBRXTCAZYCACQ-UHFFFAOYSA-N 1 2 342.777 3.725 20 0 EHADLO Cc1ccc(C[S@@](=O)CC(=O)Nc2ccccc2C(C)C)c(C)[nH+]1 ZINC000187234252 1035799123 /nfs/dbraw/zinc/79/91/23/1035799123.db2.gz TXIWBZALZJNHKF-XMMPIXPASA-N 1 2 344.480 3.709 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000613427865 1035844880 /nfs/dbraw/zinc/84/48/80/1035844880.db2.gz RHYGSRZEQJUPNS-MRXNPFEDSA-N 1 2 342.870 3.788 20 0 EHADLO COCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000230345578 1035906677 /nfs/dbraw/zinc/90/66/77/1035906677.db2.gz FQQNUTIPQIKFHN-UHFFFAOYSA-N 1 2 334.204 3.586 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c(C)cccc3OC(F)F)[nH+]c12 ZINC000588372016 1035926350 /nfs/dbraw/zinc/92/63/50/1035926350.db2.gz FLWMZBAZTMOFTM-UHFFFAOYSA-N 1 2 345.349 3.734 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535061257 1035944494 /nfs/dbraw/zinc/94/44/94/1035944494.db2.gz VDMLRFQKAJQUNZ-INIZCTEOSA-N 1 2 327.428 3.857 20 0 EHADLO c1ccc2c(c1)onc2CC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000653500704 1035950780 /nfs/dbraw/zinc/95/07/80/1035950780.db2.gz GMYKCKUZGOLXMA-INIZCTEOSA-N 1 2 338.411 3.858 20 0 EHADLO c1ccc2c(c1)onc2CC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000653500704 1035950788 /nfs/dbraw/zinc/95/07/88/1035950788.db2.gz GMYKCKUZGOLXMA-INIZCTEOSA-N 1 2 338.411 3.858 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000613464177 1035966007 /nfs/dbraw/zinc/96/60/07/1035966007.db2.gz DTBLUWGBNIPNRQ-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000613464177 1035966026 /nfs/dbraw/zinc/96/60/26/1035966026.db2.gz DTBLUWGBNIPNRQ-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO Cc1nc(F)ccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000784305619 1035982549 /nfs/dbraw/zinc/98/25/49/1035982549.db2.gz OQHWZZWTSAUXJB-UHFFFAOYSA-N 1 2 335.180 3.780 20 0 EHADLO Cc1nc(F)ccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000784305619 1035982556 /nfs/dbraw/zinc/98/25/56/1035982556.db2.gz OQHWZZWTSAUXJB-UHFFFAOYSA-N 1 2 335.180 3.780 20 0 EHADLO CCc1cccc(N(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457330395 1035997153 /nfs/dbraw/zinc/99/71/53/1035997153.db2.gz RKXSHTHZBGJBPC-OAHLLOKOSA-N 1 2 325.456 3.863 20 0 EHADLO CCc1cccc(N(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457330395 1035997166 /nfs/dbraw/zinc/99/71/66/1035997166.db2.gz RKXSHTHZBGJBPC-OAHLLOKOSA-N 1 2 325.456 3.863 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535130913 1036057773 /nfs/dbraw/zinc/05/77/73/1036057773.db2.gz WRRUTVKIGSOYMX-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535130913 1036057794 /nfs/dbraw/zinc/05/77/94/1036057794.db2.gz WRRUTVKIGSOYMX-QZTJIDSGSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541180164 1036062623 /nfs/dbraw/zinc/06/26/23/1036062623.db2.gz FRBRDWMXMNMCCK-UHFFFAOYSA-N 1 2 340.471 3.594 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541186841 1036069093 /nfs/dbraw/zinc/06/90/93/1036069093.db2.gz QGEWWXRBBWBFRY-PKOBYXMFSA-N 1 2 346.519 3.911 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168445384 1036076351 /nfs/dbraw/zinc/07/63/51/1036076351.db2.gz KDJSRVCMLAQSPP-IAGOWNOFSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168445384 1036076371 /nfs/dbraw/zinc/07/63/71/1036076371.db2.gz KDJSRVCMLAQSPP-IAGOWNOFSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168445383 1036077582 /nfs/dbraw/zinc/07/75/82/1036077582.db2.gz KDJSRVCMLAQSPP-DLBZAZTESA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168445383 1036077595 /nfs/dbraw/zinc/07/75/95/1036077595.db2.gz KDJSRVCMLAQSPP-DLBZAZTESA-N 1 2 334.435 3.582 20 0 EHADLO COC1CCC(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000156937436 1036079827 /nfs/dbraw/zinc/07/98/27/1036079827.db2.gz TUOLSSIBNQKRNM-UHFFFAOYSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCCc3[nH]cc[nH+]3)c(F)c2)cc1C ZINC000174749836 1036088611 /nfs/dbraw/zinc/08/86/11/1036088611.db2.gz QJHVTCZCJNRAQG-UHFFFAOYSA-N 1 2 337.398 3.805 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000170689087 1036092287 /nfs/dbraw/zinc/09/22/87/1036092287.db2.gz CMYPRWKPHPDNSW-OAHLLOKOSA-N 1 2 347.821 3.604 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000170689087 1036092305 /nfs/dbraw/zinc/09/23/05/1036092305.db2.gz CMYPRWKPHPDNSW-OAHLLOKOSA-N 1 2 347.821 3.604 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000414213989 1036096446 /nfs/dbraw/zinc/09/64/46/1036096446.db2.gz VGPHCBAFEJUZPB-FQEVSTJZSA-N 1 2 339.414 3.930 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000457516380 1036188304 /nfs/dbraw/zinc/18/83/04/1036188304.db2.gz RIVOMWXSHYBAHA-CYBMUJFWSA-N 1 2 347.846 3.870 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000457496146 1036196767 /nfs/dbraw/zinc/19/67/67/1036196767.db2.gz ZPLQSCXXPVMPJC-LLVKDONJSA-N 1 2 331.432 3.749 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2[nH]ccc2C2CC2)c1)[NH+]1CCOCC1 ZINC000457541678 1036239163 /nfs/dbraw/zinc/23/91/63/1036239163.db2.gz QCYAOSPVXCGKNF-CQSZACIVSA-N 1 2 339.439 3.538 20 0 EHADLO c1cn(-c2ccccc2)c(C[NH2+]Cc2cccnc2OC2CCCC2)n1 ZINC000190758090 1036291171 /nfs/dbraw/zinc/29/11/71/1036291171.db2.gz MDGXJJZIUNGPCZ-UHFFFAOYSA-N 1 2 348.450 3.879 20 0 EHADLO CCC1(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000457595390 1036294335 /nfs/dbraw/zinc/29/43/35/1036294335.db2.gz JKKHOEPVONGCJB-UHFFFAOYSA-N 1 2 330.476 3.594 20 0 EHADLO CC(C)[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C(C)C ZINC000457596270 1036309564 /nfs/dbraw/zinc/30/95/64/1036309564.db2.gz JOVVUXOIALPOJS-MJGOQNOKSA-N 1 2 344.503 3.504 20 0 EHADLO O=C(/C=C/Sc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492842093 1036356932 /nfs/dbraw/zinc/35/69/32/1036356932.db2.gz RCQUPXSVDUANOG-DHZHZOJOSA-N 1 2 336.420 3.571 20 0 EHADLO COC(=O)CC[C@H]([NH2+][C@@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925380163 1036390375 /nfs/dbraw/zinc/39/03/75/1036390375.db2.gz RZFYCSKNIWKBJY-JKSUJKDBSA-N 1 2 328.412 3.645 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(c2ccncc2)CC1 ZINC000191669853 1036406064 /nfs/dbraw/zinc/40/60/64/1036406064.db2.gz SGKKARZBXRSRKG-CYBMUJFWSA-N 1 2 345.393 3.566 20 0 EHADLO CN(C(=O)C[NH2+][C@@H](c1ccco1)c1ccccc1)C1CCCCC1 ZINC000541565611 1036439909 /nfs/dbraw/zinc/43/99/09/1036439909.db2.gz HYAXGIDTNPQZNR-HXUWFJFHSA-N 1 2 326.440 3.750 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)c1csnn1 ZINC000414301356 1036528224 /nfs/dbraw/zinc/52/82/24/1036528224.db2.gz LTFSMMWPIVAJSQ-QPUJVOFHSA-N 1 2 329.347 3.775 20 0 EHADLO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)CCS1 ZINC000464574417 1036562771 /nfs/dbraw/zinc/56/27/71/1036562771.db2.gz KGDSILJAUXTBGF-AWEZNQCLSA-N 1 2 348.512 3.824 20 0 EHADLO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)CCS1 ZINC000464574417 1036562785 /nfs/dbraw/zinc/56/27/85/1036562785.db2.gz KGDSILJAUXTBGF-AWEZNQCLSA-N 1 2 348.512 3.824 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000193111331 1036565148 /nfs/dbraw/zinc/56/51/48/1036565148.db2.gz WZCWKPBPRUIDQE-UHFFFAOYSA-N 1 2 339.483 3.761 20 0 EHADLO Cn1nc(C[NH2+]Cc2cccnc2OC2CCCC2)c2ccccc21 ZINC000589640881 1036571703 /nfs/dbraw/zinc/57/17/03/1036571703.db2.gz DVIMEKLQJRYUHL-UHFFFAOYSA-N 1 2 336.439 3.580 20 0 EHADLO c1ccc2c(c1)[nH]nc2C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000589646046 1036576152 /nfs/dbraw/zinc/57/61/52/1036576152.db2.gz GBCVHVLUVFVUDE-FQEVSTJZSA-N 1 2 335.407 3.575 20 0 EHADLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000176500891 1036632633 /nfs/dbraw/zinc/63/26/33/1036632633.db2.gz QSDGVQYCHFNMOX-GOSISDBHSA-N 1 2 341.455 3.556 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000493076762 1036644888 /nfs/dbraw/zinc/64/48/88/1036644888.db2.gz YGHKXDWPGHFFJJ-DUMMIQTOSA-N 1 2 331.366 3.511 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N(C)c2ccc(F)cc2)c1C ZINC000176664496 1036670557 /nfs/dbraw/zinc/67/05/57/1036670557.db2.gz XCLNOSADTVJKGW-UHFFFAOYSA-N 1 2 331.391 3.534 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376422097 1036671418 /nfs/dbraw/zinc/67/14/18/1036671418.db2.gz QQHBSJJTTIFEOH-DOTOQJQBSA-N 1 2 345.874 3.655 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425830 1036681747 /nfs/dbraw/zinc/68/17/47/1036681747.db2.gz JFMMXEIVHGQGGT-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000376425830 1036681753 /nfs/dbraw/zinc/68/17/53/1036681753.db2.gz JFMMXEIVHGQGGT-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[N@H+](Cn1nc(C2CC2)n(C2CC2)c1=S)C1Cc2ccccc2C1 ZINC000057104248 1036705420 /nfs/dbraw/zinc/70/54/20/1036705420.db2.gz VRZYFJNRXDURFF-UHFFFAOYSA-N 1 2 340.496 3.683 20 0 EHADLO C[N@@H+](Cn1nc(C2CC2)n(C2CC2)c1=S)C1Cc2ccccc2C1 ZINC000057104248 1036705433 /nfs/dbraw/zinc/70/54/33/1036705433.db2.gz VRZYFJNRXDURFF-UHFFFAOYSA-N 1 2 340.496 3.683 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000177110774 1036768679 /nfs/dbraw/zinc/76/86/79/1036768679.db2.gz PHPZLUADJWOOLM-AWEZNQCLSA-N 1 2 331.370 3.841 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000102687553 1036772103 /nfs/dbraw/zinc/77/21/03/1036772103.db2.gz JBEJCVTUUADTBA-GFCCVEGCSA-N 1 2 347.344 3.532 20 0 EHADLO CCOCCC[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001168447932 1036780031 /nfs/dbraw/zinc/78/00/31/1036780031.db2.gz KXRLFLJNLIMZRT-INIZCTEOSA-N 1 2 327.852 3.693 20 0 EHADLO CCOCCC[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001168447932 1036780049 /nfs/dbraw/zinc/78/00/49/1036780049.db2.gz KXRLFLJNLIMZRT-INIZCTEOSA-N 1 2 327.852 3.693 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000493146756 1036788838 /nfs/dbraw/zinc/78/88/38/1036788838.db2.gz HIPRGSGUZROPBN-AATRIKPKSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCCCCNc1cccc[nH+]1 ZINC000176258492 1036798573 /nfs/dbraw/zinc/79/85/73/1036798573.db2.gz HXMFFFHCCUJWFG-VQHVLOKHSA-N 1 2 327.403 3.633 20 0 EHADLO C[C@@]1(C[NH2+]Cc2ccc(C(=O)[O-])cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000263382441 1036837865 /nfs/dbraw/zinc/83/78/65/1036837865.db2.gz CBSIVZHLVBXMAS-NRFANRHFSA-N 1 2 338.451 3.529 20 0 EHADLO C[C@@]1(C[NH2+]Cc2ccc(C(=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000263382441 1036837876 /nfs/dbraw/zinc/83/78/76/1036837876.db2.gz CBSIVZHLVBXMAS-NRFANRHFSA-N 1 2 338.451 3.529 20 0 EHADLO CC[N@H+](CCS(=O)(=O)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000178214078 1036880013 /nfs/dbraw/zinc/88/00/13/1036880013.db2.gz QEJQJGAEEUCQNS-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000178214078 1036880033 /nfs/dbraw/zinc/88/00/33/1036880033.db2.gz QEJQJGAEEUCQNS-UHFFFAOYSA-N 1 2 338.300 3.639 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cncc(F)c1 ZINC000177620971 1036894350 /nfs/dbraw/zinc/89/43/50/1036894350.db2.gz GRMPHLREDRUUQJ-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CC(C)c1cc(Br)cc(O[C@@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218278022 1036897988 /nfs/dbraw/zinc/89/79/88/1036897988.db2.gz JXBBLLFHCFKIBB-ZDUSSCGKSA-N 1 2 334.204 3.949 20 0 EHADLO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103412034 1036908186 /nfs/dbraw/zinc/90/81/86/1036908186.db2.gz ROUFKBBQVUYUKR-OAHLLOKOSA-N 1 2 326.465 3.646 20 0 EHADLO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103412034 1036908197 /nfs/dbraw/zinc/90/81/97/1036908197.db2.gz ROUFKBBQVUYUKR-OAHLLOKOSA-N 1 2 326.465 3.646 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2nc3c(s2)CCC3)c(C)[nH+]1 ZINC000572937760 1036921355 /nfs/dbraw/zinc/92/13/55/1036921355.db2.gz BSPJCHBHWDOMCT-LBPRGKRZSA-N 1 2 330.457 3.835 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1c(OC(C)C)ccc2ccccc21 ZINC000541988343 1036930517 /nfs/dbraw/zinc/93/05/17/1036930517.db2.gz GVCODHSVFFNNOX-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1c(OC(C)C)ccc2ccccc21 ZINC000541988343 1036930530 /nfs/dbraw/zinc/93/05/30/1036930530.db2.gz GVCODHSVFFNNOX-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000843629115 1036945927 /nfs/dbraw/zinc/94/59/27/1036945927.db2.gz UBBGJSAIHJLMMR-FQEVSTJZSA-N 1 2 337.398 3.711 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000493230801 1036949320 /nfs/dbraw/zinc/94/93/20/1036949320.db2.gz LBGVNDFBUYKWET-YHYXMXQVSA-N 1 2 349.406 3.631 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C(C)(C)c1ccccc1 ZINC000539599022 1036953866 /nfs/dbraw/zinc/95/38/66/1036953866.db2.gz FOPMPTPMZHLQGI-MRXNPFEDSA-N 1 2 325.456 3.696 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000177916158 1036968043 /nfs/dbraw/zinc/96/80/43/1036968043.db2.gz RXJYPGNMBLHOGE-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000177916158 1036968062 /nfs/dbraw/zinc/96/80/62/1036968062.db2.gz RXJYPGNMBLHOGE-LLVKDONJSA-N 1 2 325.334 3.702 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000464910827 1036978465 /nfs/dbraw/zinc/97/84/65/1036978465.db2.gz IAFAAHKXLPXCSY-UKRRQHHQSA-N 1 2 336.505 3.829 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000178075831 1036995061 /nfs/dbraw/zinc/99/50/61/1036995061.db2.gz WLWBNQMIZUJXAV-GOSISDBHSA-N 1 2 348.487 3.793 20 0 EHADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2ccccc2F)CCCC1 ZINC000590728451 1037007383 /nfs/dbraw/zinc/00/73/83/1037007383.db2.gz MTEJQGOMOLPONP-MRXNPFEDSA-N 1 2 341.430 3.698 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728727 1037007704 /nfs/dbraw/zinc/00/77/04/1037007704.db2.gz GYJRBZUWNBSQCV-CWRNSKLLSA-N 1 2 329.831 3.504 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729791 1037033379 /nfs/dbraw/zinc/03/33/79/1037033379.db2.gz ZBXUQMIAHORFFB-IXDOHACOSA-N 1 2 329.831 3.504 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590735250 1037036914 /nfs/dbraw/zinc/03/69/14/1037036914.db2.gz QIDQAPTXAKFALQ-IBGZPJMESA-N 1 2 325.456 3.632 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000178514242 1037055343 /nfs/dbraw/zinc/05/53/43/1037055343.db2.gz LJYPFRSUZSIVLP-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000178514242 1037055363 /nfs/dbraw/zinc/05/53/63/1037055363.db2.gz LJYPFRSUZSIVLP-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1nc(Cc3ccccc3)no1)C2 ZINC000590789025 1037055311 /nfs/dbraw/zinc/05/53/11/1037055311.db2.gz LPYMYHSDLRTACO-UHFFFAOYSA-N 1 2 349.434 3.617 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1nc(Cc3ccccc3)no1)C2 ZINC000590789025 1037055335 /nfs/dbraw/zinc/05/53/35/1037055335.db2.gz LPYMYHSDLRTACO-UHFFFAOYSA-N 1 2 349.434 3.617 20 0 EHADLO Cn1c(C[NH+]2CCC(OCC3CCCCC3)CC2)nnc1C1CCC1 ZINC000542106137 1037079648 /nfs/dbraw/zinc/07/96/48/1037079648.db2.gz OAXKAHRGFHTSIH-UHFFFAOYSA-N 1 2 346.519 3.644 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000590845463 1037080321 /nfs/dbraw/zinc/08/03/21/1037080321.db2.gz QSENNCHWQDXFSU-CZUORRHYSA-N 1 2 332.835 3.644 20 0 EHADLO CC(C)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590861247 1037103251 /nfs/dbraw/zinc/10/32/51/1037103251.db2.gz XMYFMDABZRNHRW-SFHVURJKSA-N 1 2 326.444 3.553 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000539727783 1037127591 /nfs/dbraw/zinc/12/75/91/1037127591.db2.gz RVSPHQWMYYMLEJ-TWMKSMIVSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000539727783 1037127602 /nfs/dbraw/zinc/12/76/02/1037127602.db2.gz RVSPHQWMYYMLEJ-TWMKSMIVSA-N 1 2 340.467 3.515 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc2ccccc2c1 ZINC000105143015 1037151431 /nfs/dbraw/zinc/15/14/31/1037151431.db2.gz PTOSYLCRZKGWRF-UHFFFAOYSA-N 1 2 334.423 3.536 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000573017886 1037159478 /nfs/dbraw/zinc/15/94/78/1037159478.db2.gz TUYLXABWVQYSAN-OAHLLOKOSA-N 1 2 343.446 3.746 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000573017886 1037159485 /nfs/dbraw/zinc/15/94/85/1037159485.db2.gz TUYLXABWVQYSAN-OAHLLOKOSA-N 1 2 343.446 3.746 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047430 1037199410 /nfs/dbraw/zinc/19/94/10/1037199410.db2.gz WPSSMLVJZNZKPB-UHFFFAOYSA-N 1 2 342.395 3.647 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCCC(C)(C)C)CC2)cc1 ZINC000303196640 1037202067 /nfs/dbraw/zinc/20/20/67/1037202067.db2.gz KWSBIIZZJBDKAV-UHFFFAOYSA-N 1 2 346.515 3.946 20 0 EHADLO CCc1ncc(C[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000414386026 1037215172 /nfs/dbraw/zinc/21/51/72/1037215172.db2.gz WYQYZYCOCWOZNS-UHFFFAOYSA-N 1 2 349.482 3.782 20 0 EHADLO CCc1ncc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000414386026 1037215189 /nfs/dbraw/zinc/21/51/89/1037215189.db2.gz WYQYZYCOCWOZNS-UHFFFAOYSA-N 1 2 349.482 3.782 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC000591176625 1037246113 /nfs/dbraw/zinc/24/61/13/1037246113.db2.gz NHCZMNWMUIFXLV-UHFFFAOYSA-N 1 2 339.483 3.990 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000539827007 1037253445 /nfs/dbraw/zinc/25/34/45/1037253445.db2.gz PXYAXTCXSSIFRO-QFIPXVFZSA-N 1 2 347.462 3.813 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000539827007 1037253457 /nfs/dbraw/zinc/25/34/57/1037253457.db2.gz PXYAXTCXSSIFRO-QFIPXVFZSA-N 1 2 347.462 3.813 20 0 EHADLO CC[C@H](CC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000104230960 1037253861 /nfs/dbraw/zinc/25/38/61/1037253861.db2.gz XOEZYNBZDRJSIU-GOSISDBHSA-N 1 2 327.472 3.662 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000493325529 1037257336 /nfs/dbraw/zinc/25/73/36/1037257336.db2.gz RUZAFPFMZPBUAA-VOTSOKGWSA-N 1 2 330.819 3.705 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831470 1037258914 /nfs/dbraw/zinc/25/89/14/1037258914.db2.gz GYHOWLVZMYPNMY-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831470 1037258924 /nfs/dbraw/zinc/25/89/24/1037258924.db2.gz GYHOWLVZMYPNMY-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CCC2CCCC2)c1)[NH+]1CCOCC1 ZINC000591249230 1037269551 /nfs/dbraw/zinc/26/95/51/1037269551.db2.gz HMUCTKYQRYPTEG-INIZCTEOSA-N 1 2 330.472 3.989 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC000539850062 1037279633 /nfs/dbraw/zinc/27/96/33/1037279633.db2.gz CVDHCEBFLPHRAN-UHFFFAOYSA-N 1 2 345.361 3.735 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC000539850062 1037279649 /nfs/dbraw/zinc/27/96/49/1037279649.db2.gz CVDHCEBFLPHRAN-UHFFFAOYSA-N 1 2 345.361 3.735 20 0 EHADLO COc1ccccc1[C@@H](C[NH2+][C@H](Cc1ccccc1)C(F)F)N(C)C ZINC000539855985 1037287005 /nfs/dbraw/zinc/28/70/05/1037287005.db2.gz NGXHQYNTWLRQKX-QZTJIDSGSA-N 1 2 348.437 3.764 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1cccc(F)c1 ZINC000493346347 1037287271 /nfs/dbraw/zinc/28/72/71/1037287271.db2.gz ADJKOVQTJROEJS-KTKRTIGZSA-N 1 2 329.419 3.537 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]Cc2cccc3c2OC(F)(F)O3)n1 ZINC000414396158 1037322727 /nfs/dbraw/zinc/32/27/27/1037322727.db2.gz RSTINAOQNIZVNZ-UHFFFAOYSA-N 1 2 326.368 3.798 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](CC(C)C)C3)cn2c1 ZINC000465299382 1037328419 /nfs/dbraw/zinc/32/84/19/1037328419.db2.gz AJYCRAGRSSLPFG-MRXNPFEDSA-N 1 2 345.512 3.771 20 0 EHADLO Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(N(C)C)[nH+]1 ZINC000152597322 1037339967 /nfs/dbraw/zinc/33/99/67/1037339967.db2.gz QYZATPRWAANQIH-UHFFFAOYSA-N 1 2 338.436 3.832 20 0 EHADLO C[C@@H](Cc1cccs1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301072835 1037354872 /nfs/dbraw/zinc/35/48/72/1037354872.db2.gz GCEBVLCCMWGCRU-ZDUSSCGKSA-N 1 2 335.436 3.920 20 0 EHADLO CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043402831 1037356845 /nfs/dbraw/zinc/35/68/45/1037356845.db2.gz VWLFOGPECLWBDU-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NC1CCC(C(F)F)CC1 ZINC000493435376 1037366495 /nfs/dbraw/zinc/36/64/95/1037366495.db2.gz QWRDLRHYDKMGAC-KMKOMSMNSA-N 1 2 345.393 3.826 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)CCCC(F)(F)F)CC2)s1 ZINC000539942035 1037376851 /nfs/dbraw/zinc/37/68/51/1037376851.db2.gz FJBLTLFTRLQCJW-UHFFFAOYSA-N 1 2 348.434 3.687 20 0 EHADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493466902 1037381512 /nfs/dbraw/zinc/38/15/12/1037381512.db2.gz OCVDXPUCDPMJKX-VOTSOKGWSA-N 1 2 334.423 3.619 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)cc1O ZINC000177223675 1037426765 /nfs/dbraw/zinc/42/67/65/1037426765.db2.gz YLWBTWHWTOBGPF-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)cc1O ZINC000177223675 1037426779 /nfs/dbraw/zinc/42/67/79/1037426779.db2.gz YLWBTWHWTOBGPF-UHFFFAOYSA-N 1 2 342.439 3.595 20 0 EHADLO Fc1ccccc1C1C[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000462827791 1037431236 /nfs/dbraw/zinc/43/12/36/1037431236.db2.gz KFBIABUVDFVCMF-UHFFFAOYSA-N 1 2 333.790 3.850 20 0 EHADLO CC(C)c1ccc(CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000462822078 1037442301 /nfs/dbraw/zinc/44/23/01/1037442301.db2.gz NUKFIFARJBJRPW-UHFFFAOYSA-N 1 2 339.483 3.878 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000493549294 1037446154 /nfs/dbraw/zinc/44/61/54/1037446154.db2.gz LPTRUVXKIHUOLT-AATRIKPKSA-N 1 2 333.794 3.654 20 0 EHADLO Cc1cc(OCc2ccc(S(C)(=O)=O)cc2)c2cccc(C)c2[nH+]1 ZINC000573333918 1037468088 /nfs/dbraw/zinc/46/80/88/1037468088.db2.gz JLMVVFAVJWTFLA-UHFFFAOYSA-N 1 2 341.432 3.834 20 0 EHADLO C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1c1ccccc1 ZINC000540036400 1037503439 /nfs/dbraw/zinc/50/34/39/1037503439.db2.gz DAUBHEQLDHKKPG-VQIMIIECSA-N 1 2 346.434 3.533 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1cccc(F)c1 ZINC000177397210 1037509847 /nfs/dbraw/zinc/50/98/47/1037509847.db2.gz MAZHEXXNTKPDRN-OAHLLOKOSA-N 1 2 346.427 3.563 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1cccc(F)c1 ZINC000177397210 1037509867 /nfs/dbraw/zinc/50/98/67/1037509867.db2.gz MAZHEXXNTKPDRN-OAHLLOKOSA-N 1 2 346.427 3.563 20 0 EHADLO C[N@@H+]1CCO[C@@H](c2nc(-c3cccc(Oc4ccccc4)c3)no2)C1 ZINC000669412579 1037514771 /nfs/dbraw/zinc/51/47/71/1037514771.db2.gz UOSWENHWOWZXMX-QGZVFWFLSA-N 1 2 337.379 3.532 20 0 EHADLO C[N@H+]1CCO[C@@H](c2nc(-c3cccc(Oc4ccccc4)c3)no2)C1 ZINC000669412579 1037514780 /nfs/dbraw/zinc/51/47/80/1037514780.db2.gz UOSWENHWOWZXMX-QGZVFWFLSA-N 1 2 337.379 3.532 20 0 EHADLO CC1=CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000540061976 1037530782 /nfs/dbraw/zinc/53/07/82/1037530782.db2.gz VDDWFBKMMAWOFG-LBPRGKRZSA-N 1 2 328.485 3.550 20 0 EHADLO CC1=CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000540061976 1037530798 /nfs/dbraw/zinc/53/07/98/1037530798.db2.gz VDDWFBKMMAWOFG-LBPRGKRZSA-N 1 2 328.485 3.550 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)c1ccccc1F ZINC000172642220 1037567673 /nfs/dbraw/zinc/56/76/73/1037567673.db2.gz SIHBAAUMAHSAHU-GOSISDBHSA-N 1 2 347.397 3.898 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000493730829 1037588062 /nfs/dbraw/zinc/58/80/62/1037588062.db2.gz WTZVOHBXRJCCHE-GPPYNADXSA-N 1 2 348.406 3.695 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000540148490 1037607330 /nfs/dbraw/zinc/60/73/30/1037607330.db2.gz QCYKRCQBJDXHSE-VOJFVSQTSA-N 1 2 340.377 3.773 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000540148490 1037607342 /nfs/dbraw/zinc/60/73/42/1037607342.db2.gz QCYKRCQBJDXHSE-VOJFVSQTSA-N 1 2 340.377 3.773 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CCC(C2CC2)CC1 ZINC000666639532 1037665906 /nfs/dbraw/zinc/66/59/06/1037665906.db2.gz AERFXQYYELBZSB-UHFFFAOYSA-N 1 2 341.499 3.905 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650692 1037669480 /nfs/dbraw/zinc/66/94/80/1037669480.db2.gz VVFSHHZFPJKXJI-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000573650692 1037669494 /nfs/dbraw/zinc/66/94/94/1037669494.db2.gz VVFSHHZFPJKXJI-BFQNTYOBSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000463039912 1037680003 /nfs/dbraw/zinc/68/00/03/1037680003.db2.gz UFBKNIKCPYINJR-CQSZACIVSA-N 1 2 348.899 3.849 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000463040319 1037680620 /nfs/dbraw/zinc/68/06/20/1037680620.db2.gz VMLZFPSVAPXATE-MRXNPFEDSA-N 1 2 342.508 3.931 20 0 EHADLO COc1ccccc1NC(=O)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000532584431 1037701003 /nfs/dbraw/zinc/70/10/03/1037701003.db2.gz PIYTZLDKCIWSBB-UHFFFAOYSA-N 1 2 342.414 3.652 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000491846141 1037715159 /nfs/dbraw/zinc/71/51/59/1037715159.db2.gz HZQYLJUUTIMVHI-SJORKVTESA-N 1 2 339.345 3.860 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CCC2(CC2)CC1 ZINC000666640636 1037733918 /nfs/dbraw/zinc/73/39/18/1037733918.db2.gz PMTHGDBITKIDAM-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO COc1ccc([C@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030649276 1037756908 /nfs/dbraw/zinc/75/69/08/1037756908.db2.gz RFJJUVDIAJYGFX-HNNXBMFYSA-N 1 2 335.407 3.714 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000494007863 1037791025 /nfs/dbraw/zinc/79/10/25/1037791025.db2.gz COGZTYBPXSXCHU-DZGCQCFKSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000494007863 1037791043 /nfs/dbraw/zinc/79/10/43/1037791043.db2.gz COGZTYBPXSXCHU-DZGCQCFKSA-N 1 2 349.475 3.820 20 0 EHADLO O=C(/C=C/c1sc2ccccc2c1Cl)N1CCn2c[nH+]cc2C1 ZINC000378061567 1037797342 /nfs/dbraw/zinc/79/73/42/1037797342.db2.gz REVKVQRNSFCWLS-AATRIKPKSA-N 1 2 343.839 3.807 20 0 EHADLO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378077572 1037826116 /nfs/dbraw/zinc/82/61/16/1037826116.db2.gz MWXMAPRJXGVQAQ-UHFFFAOYSA-N 1 2 342.201 3.875 20 0 EHADLO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378077572 1037826132 /nfs/dbraw/zinc/82/61/32/1037826132.db2.gz MWXMAPRJXGVQAQ-UHFFFAOYSA-N 1 2 342.201 3.875 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079969 1037853474 /nfs/dbraw/zinc/85/34/74/1037853474.db2.gz SGHUQYDEXWIGNQ-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079969 1037853487 /nfs/dbraw/zinc/85/34/87/1037853487.db2.gz SGHUQYDEXWIGNQ-UHFFFAOYSA-N 1 2 338.238 3.665 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000760937843 1037859081 /nfs/dbraw/zinc/85/90/81/1037859081.db2.gz SJRFGTIWJVTGNR-LLVKDONJSA-N 1 2 330.881 3.740 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000760937843 1037859095 /nfs/dbraw/zinc/85/90/95/1037859095.db2.gz SJRFGTIWJVTGNR-LLVKDONJSA-N 1 2 330.881 3.740 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)csc2C1 ZINC000378083160 1037863087 /nfs/dbraw/zinc/86/30/87/1037863087.db2.gz KCNJHAKKTLJCJN-GFCCVEGCSA-N 1 2 329.469 3.616 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)csc2C1 ZINC000378083160 1037863106 /nfs/dbraw/zinc/86/31/06/1037863106.db2.gz KCNJHAKKTLJCJN-GFCCVEGCSA-N 1 2 329.469 3.616 20 0 EHADLO O=C(Nc1ccc(CNc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119163727 1037884068 /nfs/dbraw/zinc/88/40/68/1037884068.db2.gz GEUBXEMENDSCDN-QGZVFWFLSA-N 1 2 346.434 3.696 20 0 EHADLO CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574015131 1037974227 /nfs/dbraw/zinc/97/42/27/1037974227.db2.gz HZNUPFVJLLTMSO-IKGGRYGDSA-N 1 2 332.492 3.526 20 0 EHADLO CCC[N@H+](Cc1nc(C)c(C)s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000173207028 1037976238 /nfs/dbraw/zinc/97/62/38/1037976238.db2.gz ITQBCYSPYBVQEP-CQSZACIVSA-N 1 2 331.485 3.999 20 0 EHADLO CCC[N@@H+](Cc1nc(C)c(C)s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000173207028 1037976245 /nfs/dbraw/zinc/97/62/45/1037976245.db2.gz ITQBCYSPYBVQEP-CQSZACIVSA-N 1 2 331.485 3.999 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000540491437 1038012315 /nfs/dbraw/zinc/01/23/15/1038012315.db2.gz KNJPRQGITQGHIG-NVXWUHKLSA-N 1 2 329.350 3.794 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546919114 1038020451 /nfs/dbraw/zinc/02/04/51/1038020451.db2.gz FSJSFHUAEIJHLJ-MFKMUULPSA-N 1 2 342.270 3.590 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546919114 1038020469 /nfs/dbraw/zinc/02/04/69/1038020469.db2.gz FSJSFHUAEIJHLJ-MFKMUULPSA-N 1 2 342.270 3.590 20 0 EHADLO COc1cccc(CNc2[nH+]c3cccc(Cl)c3n2C)c1OC ZINC000184311039 1038024123 /nfs/dbraw/zinc/02/41/23/1038024123.db2.gz DYPYXGXPPBBDRN-UHFFFAOYSA-N 1 2 331.803 3.856 20 0 EHADLO CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000123613442 1038045846 /nfs/dbraw/zinc/04/58/46/1038045846.db2.gz SCNFKRCNQHOLNU-GOSISDBHSA-N 1 2 327.428 3.939 20 0 EHADLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000124599423 1038208810 /nfs/dbraw/zinc/20/88/10/1038208810.db2.gz HSXKLTWPRLWPPM-AWEZNQCLSA-N 1 2 336.391 3.979 20 0 EHADLO CCC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000454212050 1038279053 /nfs/dbraw/zinc/27/90/53/1038279053.db2.gz DVUWUPQOMZDRSG-SFHVURJKSA-N 1 2 342.487 3.945 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125252384 1038297329 /nfs/dbraw/zinc/29/73/29/1038297329.db2.gz SBZXHBMWHGOTAK-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO Cc1nccn1CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000125477710 1038331836 /nfs/dbraw/zinc/33/18/36/1038331836.db2.gz MXLJRHPPDVKQTE-SFHVURJKSA-N 1 2 333.863 3.699 20 0 EHADLO Cc1nccn1CCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000125477710 1038331851 /nfs/dbraw/zinc/33/18/51/1038331851.db2.gz MXLJRHPPDVKQTE-SFHVURJKSA-N 1 2 333.863 3.699 20 0 EHADLO Cc1[nH+]ccn1CCCCN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000125477710 1038331862 /nfs/dbraw/zinc/33/18/62/1038331862.db2.gz MXLJRHPPDVKQTE-SFHVURJKSA-N 1 2 333.863 3.699 20 0 EHADLO CC(=Cc1ccccc1Cl)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378270246 1038353243 /nfs/dbraw/zinc/35/32/43/1038353243.db2.gz ZQNVPURXNNMBJY-JLHYYAGUSA-N 1 2 329.831 3.873 20 0 EHADLO CC(=Cc1ccccc1Cl)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378270246 1038353256 /nfs/dbraw/zinc/35/32/56/1038353256.db2.gz ZQNVPURXNNMBJY-JLHYYAGUSA-N 1 2 329.831 3.873 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000378278872 1038368341 /nfs/dbraw/zinc/36/83/41/1038368341.db2.gz CSOUPEZEZWEUAA-IBGZPJMESA-N 1 2 349.434 3.514 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000378278872 1038368352 /nfs/dbraw/zinc/36/83/52/1038368352.db2.gz CSOUPEZEZWEUAA-IBGZPJMESA-N 1 2 349.434 3.514 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(COC)cc1)[C@@H](C)c1ccccc1 ZINC000538570689 1038396530 /nfs/dbraw/zinc/39/65/30/1038396530.db2.gz YRVVYFSACBGCIS-KRWDZBQOSA-N 1 2 341.451 3.959 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(COC)cc1)[C@@H](C)c1ccccc1 ZINC000538570689 1038396542 /nfs/dbraw/zinc/39/65/42/1038396542.db2.gz YRVVYFSACBGCIS-KRWDZBQOSA-N 1 2 341.451 3.959 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1cccs1 ZINC000538609064 1038433223 /nfs/dbraw/zinc/43/32/23/1038433223.db2.gz PEDCIZGXGLJPBF-UHFFFAOYSA-N 1 2 337.452 3.932 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000365771619 1038450047 /nfs/dbraw/zinc/45/00/47/1038450047.db2.gz YSFYCUBZSNKXNO-IRXDYDNUSA-N 1 2 340.471 3.687 20 0 EHADLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000538734299 1038499086 /nfs/dbraw/zinc/49/90/86/1038499086.db2.gz OKTVAINLRMXVSE-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO Cc1ccc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nc1 ZINC000538734299 1038499090 /nfs/dbraw/zinc/49/90/90/1038499090.db2.gz OKTVAINLRMXVSE-INIZCTEOSA-N 1 2 329.875 3.922 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(-c2ccoc2)n1 ZINC000108159432 1038503127 /nfs/dbraw/zinc/50/31/27/1038503127.db2.gz DSUQUMDQKDTBLV-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000378391856 1038575088 /nfs/dbraw/zinc/57/50/88/1038575088.db2.gz DTCBRGBUROHJDK-FQEVSTJZSA-N 1 2 339.414 3.837 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651381272 1038649189 /nfs/dbraw/zinc/64/91/89/1038649189.db2.gz WBGOMPIPICAONB-GOSISDBHSA-N 1 2 339.483 3.680 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000582051677 1038740991 /nfs/dbraw/zinc/74/09/91/1038740991.db2.gz SNAIUJJNUROQBW-JKSUJKDBSA-N 1 2 341.459 3.663 20 0 EHADLO O=C(Nc1cccc(F)c1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462115230 1038760274 /nfs/dbraw/zinc/76/02/74/1038760274.db2.gz DZCARIXVKPOIMI-QGZVFWFLSA-N 1 2 330.378 3.958 20 0 EHADLO O=C(Nc1cccc(F)c1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462115230 1038760278 /nfs/dbraw/zinc/76/02/78/1038760278.db2.gz DZCARIXVKPOIMI-QGZVFWFLSA-N 1 2 330.378 3.958 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905382091 1038837165 /nfs/dbraw/zinc/83/71/65/1038837165.db2.gz QDKZJCWMVDVZQG-PKOBYXMFSA-N 1 2 349.421 3.551 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000668454391 1038848106 /nfs/dbraw/zinc/84/81/06/1038848106.db2.gz FZKHSGMHUSYCRD-GPMSIDNRSA-N 1 2 348.450 3.759 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462214060 1038871029 /nfs/dbraw/zinc/87/10/29/1038871029.db2.gz YUZAMROBFKBCPT-ARFHVFGLSA-N 1 2 337.533 3.961 20 0 EHADLO CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000416681769 1038896536 /nfs/dbraw/zinc/89/65/36/1038896536.db2.gz KJGJFUBUCLPSHB-MSOLQXFVSA-N 1 2 340.471 3.555 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3cc(OC)ccc3F)sc2c1 ZINC001203209254 1038957254 /nfs/dbraw/zinc/95/72/54/1038957254.db2.gz YUOUITXWEUJSHU-UHFFFAOYSA-N 1 2 332.400 3.742 20 0 EHADLO CCC1CCC([N@H+](CCO)Cc2noc(C3CCCCC3)n2)CC1 ZINC000488209021 1038964867 /nfs/dbraw/zinc/96/48/67/1038964867.db2.gz GMIAPBPPLGSLNS-UHFFFAOYSA-N 1 2 335.492 3.880 20 0 EHADLO CCC1CCC([N@@H+](CCO)Cc2noc(C3CCCCC3)n2)CC1 ZINC000488209021 1038964891 /nfs/dbraw/zinc/96/48/91/1038964891.db2.gz GMIAPBPPLGSLNS-UHFFFAOYSA-N 1 2 335.492 3.880 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C)c1cccc2ccccc21 ZINC000488216886 1038967242 /nfs/dbraw/zinc/96/72/42/1038967242.db2.gz JJVJLGWGPWRNPE-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C)c1cccc2ccccc21 ZINC000488216886 1038967262 /nfs/dbraw/zinc/96/72/62/1038967262.db2.gz JJVJLGWGPWRNPE-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO Fc1ccc2nc(C[NH+]3CCC(Oc4ccccn4)CC3)sc2c1 ZINC000432740436 1038978281 /nfs/dbraw/zinc/97/82/81/1038978281.db2.gz AXRDTQVDYAGXGC-UHFFFAOYSA-N 1 2 343.427 3.874 20 0 EHADLO c1sc(-c2ccccn2)nc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000124569299 1038980729 /nfs/dbraw/zinc/98/07/29/1038980729.db2.gz HBLAPAZFKIXRQO-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO CC(C)([NH2+]Cc1ncnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000488228199 1038987658 /nfs/dbraw/zinc/98/76/58/1038987658.db2.gz CMLJZMJSCYLEJT-UHFFFAOYSA-N 1 2 349.212 3.875 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898408058 1038995637 /nfs/dbraw/zinc/99/56/37/1038995637.db2.gz AYRHNOFZOHHCFU-IBGZPJMESA-N 1 2 344.418 3.635 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(C)[nH+]1 ZINC000905663829 1039016021 /nfs/dbraw/zinc/01/60/21/1039016021.db2.gz HOXBFIVZKIAXMS-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000156530743 1039020307 /nfs/dbraw/zinc/02/03/07/1039020307.db2.gz WOPOSMAVODTIMN-LPHOPBHVSA-N 1 2 348.450 3.681 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC1CCCCC1 ZINC000155561137 1039030901 /nfs/dbraw/zinc/03/09/01/1039030901.db2.gz CNCMAFPLWPEYIX-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512408680 1039059580 /nfs/dbraw/zinc/05/95/80/1039059580.db2.gz JHYLNCWTVGSEIG-VNHYZAJKSA-N 1 2 343.298 3.849 20 0 EHADLO O=C(c1coc2ccccc12)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910784946 1039078491 /nfs/dbraw/zinc/07/84/91/1039078491.db2.gz UHRLOYRRHRUZSQ-UHFFFAOYSA-N 1 2 332.403 3.533 20 0 EHADLO O=C(c1coc2ccccc12)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910784946 1039078509 /nfs/dbraw/zinc/07/85/09/1039078509.db2.gz UHRLOYRRHRUZSQ-UHFFFAOYSA-N 1 2 332.403 3.533 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000477978675 1039080699 /nfs/dbraw/zinc/08/06/99/1039080699.db2.gz VMOUGCQKHLBUIP-UHFFFAOYSA-N 1 2 349.365 3.939 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000477996313 1039107899 /nfs/dbraw/zinc/10/78/99/1039107899.db2.gz CXFHLONNHGVYAR-WMLDXEAASA-N 1 2 327.428 3.919 20 0 EHADLO CC(C)(C[NH2+]Cc1c(F)ccc(O)c1F)N1CCc2ccccc2C1 ZINC000509747813 1039119640 /nfs/dbraw/zinc/11/96/40/1039119640.db2.gz APQAZWRPRABUQT-UHFFFAOYSA-N 1 2 346.421 3.597 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1snnc1C(C)(C)C ZINC000478015663 1039123494 /nfs/dbraw/zinc/12/34/94/1039123494.db2.gz KOEMYZZYYXOOHT-UHFFFAOYSA-N 1 2 341.440 3.786 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000010809920 1039130355 /nfs/dbraw/zinc/13/03/55/1039130355.db2.gz DICMOPNIGXEILQ-UHFFFAOYSA-N 1 2 327.771 3.968 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cncc(F)c1 ZINC000554264086 1039132245 /nfs/dbraw/zinc/13/22/45/1039132245.db2.gz LYJGIOJXGYVOCQ-OIISXLGYSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cncc(F)c1 ZINC000554264086 1039132252 /nfs/dbraw/zinc/13/22/52/1039132252.db2.gz LYJGIOJXGYVOCQ-OIISXLGYSA-N 1 2 334.435 3.696 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000509531088 1039140353 /nfs/dbraw/zinc/14/03/53/1039140353.db2.gz AXFKBEFAEITHEQ-GOSISDBHSA-N 1 2 346.837 3.805 20 0 EHADLO F[C@]1(c2cccc(Cl)c2)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000509531088 1039140359 /nfs/dbraw/zinc/14/03/59/1039140359.db2.gz AXFKBEFAEITHEQ-GOSISDBHSA-N 1 2 346.837 3.805 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc(=O)c2O)cs1 ZINC000663832320 1039152389 /nfs/dbraw/zinc/15/23/89/1039152389.db2.gz WVQBWKYERWVIIU-QGZVFWFLSA-N 1 2 344.480 3.978 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C(C)C)cc(=O)c2O)cs1 ZINC000663832320 1039152393 /nfs/dbraw/zinc/15/23/93/1039152393.db2.gz WVQBWKYERWVIIU-QGZVFWFLSA-N 1 2 344.480 3.978 20 0 EHADLO COCc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1F ZINC000924119986 1039158486 /nfs/dbraw/zinc/15/84/86/1039158486.db2.gz WGEDMMYHNTYCAQ-INIZCTEOSA-N 1 2 344.390 3.854 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000905853583 1039160782 /nfs/dbraw/zinc/16/07/82/1039160782.db2.gz KMBAZHQHLXAEMB-OAHLLOKOSA-N 1 2 325.412 3.550 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CCO2)cc1 ZINC000552412624 1039266045 /nfs/dbraw/zinc/26/60/45/1039266045.db2.gz HWMUQMLEFLWBEH-GOSISDBHSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CCO2)cc1 ZINC000552412624 1039266059 /nfs/dbraw/zinc/26/60/59/1039266059.db2.gz HWMUQMLEFLWBEH-GOSISDBHSA-N 1 2 327.815 3.790 20 0 EHADLO Cc1nc2ccc(C[N@H+](C)Cc3cn4c(n3)CCCC4)cc2s1 ZINC000432815961 1039357673 /nfs/dbraw/zinc/35/76/73/1039357673.db2.gz LSYBLVNJKWBLSM-UHFFFAOYSA-N 1 2 326.469 3.770 20 0 EHADLO Cc1nc2ccc(C[N@@H+](C)Cc3cn4c(n3)CCCC4)cc2s1 ZINC000432815961 1039357688 /nfs/dbraw/zinc/35/76/88/1039357688.db2.gz LSYBLVNJKWBLSM-UHFFFAOYSA-N 1 2 326.469 3.770 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC2(C1)CCCCC2 ZINC000554464307 1039360369 /nfs/dbraw/zinc/36/03/69/1039360369.db2.gz LIDONCLEJGXARF-UHFFFAOYSA-N 1 2 339.443 3.515 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000552570079 1039368482 /nfs/dbraw/zinc/36/84/82/1039368482.db2.gz VJYITHNMDIHRAO-ONGXEEELSA-N 1 2 328.243 3.971 20 0 EHADLO Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)n3cc[nH+]c3)s2)c(C)c1 ZINC000584622976 1039388020 /nfs/dbraw/zinc/38/80/20/1039388020.db2.gz VLMQUHYHPCRFQB-CYBMUJFWSA-N 1 2 341.440 3.608 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCCC1CCCCC1 ZINC000431919971 1039389313 /nfs/dbraw/zinc/38/93/13/1039389313.db2.gz FFXKRJIHBOAHJN-UHFFFAOYSA-N 1 2 339.483 3.951 20 0 EHADLO Cc1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCCCC4)o2)cc1 ZINC000237728101 1039419517 /nfs/dbraw/zinc/41/95/17/1039419517.db2.gz YWSVFHRLAONLTL-UHFFFAOYSA-N 1 2 336.439 3.863 20 0 EHADLO c1ccc2c(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nsc2c1 ZINC000660155498 1039428606 /nfs/dbraw/zinc/42/86/06/1039428606.db2.gz OLOMPTITCITCPP-ZDUSSCGKSA-N 1 2 339.468 3.671 20 0 EHADLO c1ccc2c(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nsc2c1 ZINC000660155498 1039428613 /nfs/dbraw/zinc/42/86/13/1039428613.db2.gz OLOMPTITCITCPP-ZDUSSCGKSA-N 1 2 339.468 3.671 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3csc(Br)c3)C2)no1 ZINC000364024549 1039431148 /nfs/dbraw/zinc/43/11/48/1039431148.db2.gz BMJRSNCWERYZBN-NSHDSACASA-N 1 2 342.262 3.582 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)no1 ZINC000364024549 1039431151 /nfs/dbraw/zinc/43/11/51/1039431151.db2.gz BMJRSNCWERYZBN-NSHDSACASA-N 1 2 342.262 3.582 20 0 EHADLO Clc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906289427 1039453009 /nfs/dbraw/zinc/45/30/09/1039453009.db2.gz GRXJKPRQWXAKQP-CQSZACIVSA-N 1 2 346.862 3.557 20 0 EHADLO Clc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906289427 1039453020 /nfs/dbraw/zinc/45/30/20/1039453020.db2.gz GRXJKPRQWXAKQP-CQSZACIVSA-N 1 2 346.862 3.557 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)ccc1NC1CC1 ZINC000651423115 1039455286 /nfs/dbraw/zinc/45/52/86/1039455286.db2.gz ZPGDLNWFWLKGTL-UHFFFAOYSA-N 1 2 344.846 3.628 20 0 EHADLO O=C(NCc1ccc(C2CC2)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541445 1039459083 /nfs/dbraw/zinc/45/90/83/1039459083.db2.gz JRVUVDZEBPMKMV-UHFFFAOYSA-N 1 2 347.422 3.526 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@@H](c3ccccn3)C3CCC3)nn2)cc1 ZINC000906316786 1039468524 /nfs/dbraw/zinc/46/85/24/1039468524.db2.gz VVFBSIOBGHMSHQ-HXUWFJFHSA-N 1 2 333.439 3.602 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cn2)cc1 ZINC000667667188 1039490758 /nfs/dbraw/zinc/49/07/58/1039490758.db2.gz HICSTOYNQWQQMD-GOSISDBHSA-N 1 2 328.387 3.624 20 0 EHADLO Fc1ccc(Oc2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cn2)cc1 ZINC000667667188 1039490770 /nfs/dbraw/zinc/49/07/70/1039490770.db2.gz HICSTOYNQWQQMD-GOSISDBHSA-N 1 2 328.387 3.624 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2nsc3ccccc32)n1 ZINC000906374319 1039498020 /nfs/dbraw/zinc/49/80/20/1039498020.db2.gz DZYLCCICAWJKBA-UHFFFAOYSA-N 1 2 346.481 3.847 20 0 EHADLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccccc1SC(F)F ZINC000186979738 1039507303 /nfs/dbraw/zinc/50/73/03/1039507303.db2.gz ZTRFPDWZIGFAFQ-UHFFFAOYSA-N 1 2 326.412 3.816 20 0 EHADLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccccc1SC(F)F ZINC000186979738 1039507316 /nfs/dbraw/zinc/50/73/16/1039507316.db2.gz ZTRFPDWZIGFAFQ-UHFFFAOYSA-N 1 2 326.412 3.816 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(C)cccc2Cl)c1C ZINC000488991228 1039527098 /nfs/dbraw/zinc/52/70/98/1039527098.db2.gz YLJOEXBPANNWSR-UHFFFAOYSA-N 1 2 346.858 3.870 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001142595209 1039620852 /nfs/dbraw/zinc/62/08/52/1039620852.db2.gz PPZAGNHUWYBUMM-KRWDZBQOSA-N 1 2 347.455 3.560 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001142595209 1039620861 /nfs/dbraw/zinc/62/08/61/1039620861.db2.gz PPZAGNHUWYBUMM-KRWDZBQOSA-N 1 2 347.455 3.560 20 0 EHADLO C[C@H](CC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2)n1cc[nH+]c1 ZINC000584724129 1039632254 /nfs/dbraw/zinc/63/22/54/1039632254.db2.gz VAQRXFGAMMOSOW-LLVKDONJSA-N 1 2 333.819 3.840 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000480546857 1039686115 /nfs/dbraw/zinc/68/61/15/1039686115.db2.gz CKHIPLXGPJDCBY-GEWABHDNSA-N 1 2 342.405 3.792 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000480546857 1039686119 /nfs/dbraw/zinc/68/61/19/1039686119.db2.gz CKHIPLXGPJDCBY-GEWABHDNSA-N 1 2 342.405 3.792 20 0 EHADLO CC(C)(CNC(=O)C(C)(C)c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898905125 1039692316 /nfs/dbraw/zinc/69/23/16/1039692316.db2.gz SXDIMHPWCYGUJU-UHFFFAOYSA-N 1 2 335.451 3.865 20 0 EHADLO COc1cc(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)on1 ZINC000660197810 1039702635 /nfs/dbraw/zinc/70/26/35/1039702635.db2.gz SPHGQOKNTSCFFV-LJQANCHMSA-N 1 2 338.407 3.731 20 0 EHADLO COc1cccc2c1C[C@@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001143536129 1039704574 /nfs/dbraw/zinc/70/45/74/1039704574.db2.gz OLELBHPMBIXDGC-INIZCTEOSA-N 1 2 347.418 3.625 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000480579334 1039723409 /nfs/dbraw/zinc/72/34/09/1039723409.db2.gz JHMGRGBGUAABTD-UHFFFAOYSA-N 1 2 343.496 3.610 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)Cc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000480579334 1039723424 /nfs/dbraw/zinc/72/34/24/1039723424.db2.gz JHMGRGBGUAABTD-UHFFFAOYSA-N 1 2 343.496 3.610 20 0 EHADLO Cc1cccc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000489242944 1039748851 /nfs/dbraw/zinc/74/88/51/1039748851.db2.gz UZASKPPLJYJUBA-WBVHZDCISA-N 1 2 328.460 3.667 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc2c1NCCC2 ZINC000893898010 1039794305 /nfs/dbraw/zinc/79/43/05/1039794305.db2.gz SYTOFKMDFDPAQI-UHFFFAOYSA-N 1 2 343.858 3.769 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc2c1NCCC2 ZINC000893898010 1039794326 /nfs/dbraw/zinc/79/43/26/1039794326.db2.gz SYTOFKMDFDPAQI-UHFFFAOYSA-N 1 2 343.858 3.769 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(Br)c[nH]1 ZINC000893906901 1039803891 /nfs/dbraw/zinc/80/38/91/1039803891.db2.gz FIWLAMIMUAYLFS-UHFFFAOYSA-N 1 2 333.233 3.676 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(Br)c[nH]1 ZINC000893906901 1039803914 /nfs/dbraw/zinc/80/39/14/1039803914.db2.gz FIWLAMIMUAYLFS-UHFFFAOYSA-N 1 2 333.233 3.676 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(c4c[nH]c[nH+]4)CC1)(C3)C2 ZINC000906927177 1039839390 /nfs/dbraw/zinc/83/93/90/1039839390.db2.gz JAHBBWPZBIRNFW-JNKARSBBSA-N 1 2 327.472 3.722 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(c4c[nH+]c[nH]4)CC1)(C3)C2 ZINC000906927177 1039839421 /nfs/dbraw/zinc/83/94/21/1039839421.db2.gz JAHBBWPZBIRNFW-JNKARSBBSA-N 1 2 327.472 3.722 20 0 EHADLO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ncccc1O ZINC000554856647 1039844798 /nfs/dbraw/zinc/84/47/98/1039844798.db2.gz YGFGSRGMESYOAJ-QGZVFWFLSA-N 1 2 332.831 3.793 20 0 EHADLO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ncccc1O ZINC000554856647 1039844820 /nfs/dbraw/zinc/84/48/20/1039844820.db2.gz YGFGSRGMESYOAJ-QGZVFWFLSA-N 1 2 332.831 3.793 20 0 EHADLO Fc1cccc(CCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000486106212 1039885584 /nfs/dbraw/zinc/88/55/84/1039885584.db2.gz YWHGAMXLLYARTF-UHFFFAOYSA-N 1 2 328.431 3.703 20 0 EHADLO Cc1ccccc1CN(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000912496574 1039922195 /nfs/dbraw/zinc/92/21/95/1039922195.db2.gz ZQYQKZWXBMXYQT-KRWDZBQOSA-N 1 2 332.394 3.506 20 0 EHADLO Cc1nc(C2CC2)ccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990831 1039927624 /nfs/dbraw/zinc/92/76/24/1039927624.db2.gz JWIWYKXEYHWWCD-FQEVSTJZSA-N 1 2 346.434 3.635 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc(CC(F)(F)F)s2)[nH]1 ZINC000894008101 1039947614 /nfs/dbraw/zinc/94/76/14/1039947614.db2.gz LPFCKARRMGCVSI-DTWKUNHWSA-N 1 2 347.410 3.730 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnn(C4CCC4)c2)C3)cc1 ZINC000894010290 1039950463 /nfs/dbraw/zinc/95/04/63/1039950463.db2.gz WFDJELHLWLRVHW-UHFFFAOYSA-N 1 2 347.466 3.661 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnn(C4CCC4)c2)C3)cc1 ZINC000894010290 1039950476 /nfs/dbraw/zinc/95/04/76/1039950476.db2.gz WFDJELHLWLRVHW-UHFFFAOYSA-N 1 2 347.466 3.661 20 0 EHADLO CCCCCn1cc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c(C)n1 ZINC000907187386 1039963131 /nfs/dbraw/zinc/96/31/31/1039963131.db2.gz LGENATACSVQFFH-UHFFFAOYSA-N 1 2 328.460 3.632 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479105630 1039972110 /nfs/dbraw/zinc/97/21/10/1039972110.db2.gz NTDZXERJXUWJFH-XJKSGUPXSA-N 1 2 330.378 3.609 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479105630 1039972123 /nfs/dbraw/zinc/97/21/23/1039972123.db2.gz NTDZXERJXUWJFH-XJKSGUPXSA-N 1 2 330.378 3.609 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000110298701 1039976419 /nfs/dbraw/zinc/97/64/19/1039976419.db2.gz BWYSIVPJIWGZMO-KRWDZBQOSA-N 1 2 340.442 3.582 20 0 EHADLO CCCCn1c(S[C@@H]2CCC[C@H]2OC)nnc1[C@@H](CC)[NH+](C)C ZINC000554969393 1040011518 /nfs/dbraw/zinc/01/15/18/1040011518.db2.gz MNEJVLCLFTYNBW-RBSFLKMASA-N 1 2 340.537 3.751 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000584835616 1040047031 /nfs/dbraw/zinc/04/70/31/1040047031.db2.gz UCKISRSYVJKLIY-XJKSGUPXSA-N 1 2 344.846 3.514 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555077723 1040116810 /nfs/dbraw/zinc/11/68/10/1040116810.db2.gz YPYKRDUHPMVSQQ-SKDRFNHKSA-N 1 2 343.761 3.765 20 0 EHADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555077723 1040116818 /nfs/dbraw/zinc/11/68/18/1040116818.db2.gz YPYKRDUHPMVSQQ-SKDRFNHKSA-N 1 2 343.761 3.765 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1C ZINC000555075044 1040130551 /nfs/dbraw/zinc/13/05/51/1040130551.db2.gz KQEBGHOLAZXUEX-SFHVURJKSA-N 1 2 335.350 3.584 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1C ZINC000555075044 1040130559 /nfs/dbraw/zinc/13/05/59/1040130559.db2.gz KQEBGHOLAZXUEX-SFHVURJKSA-N 1 2 335.350 3.584 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669002951 1040163959 /nfs/dbraw/zinc/16/39/59/1040163959.db2.gz FIOYWZURVRKKFT-UIXUWTQFSA-N 1 2 337.467 3.832 20 0 EHADLO CO[C@H](C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCC1 ZINC000660270267 1040188795 /nfs/dbraw/zinc/18/87/95/1040188795.db2.gz SIEQZUBFVFJOEE-WMLDXEAASA-N 1 2 329.444 3.516 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C2CC2)o1 ZINC000051965796 1040196695 /nfs/dbraw/zinc/19/66/95/1040196695.db2.gz JVIDDPACQUUKRD-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C2CC2)o1 ZINC000051965796 1040196701 /nfs/dbraw/zinc/19/67/01/1040196701.db2.gz JVIDDPACQUUKRD-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO CCn1nccc1C1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000432934632 1040217364 /nfs/dbraw/zinc/21/73/64/1040217364.db2.gz VVSUYJAJVOEFCM-UHFFFAOYSA-N 1 2 336.439 3.844 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)[nH]1 ZINC000432936450 1040219183 /nfs/dbraw/zinc/21/91/83/1040219183.db2.gz IBNGGRWAWPXFNQ-UHFFFAOYSA-N 1 2 330.451 3.696 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967577 1040244727 /nfs/dbraw/zinc/24/47/27/1040244727.db2.gz YAUWAHRUTNIGMF-CQSZACIVSA-N 1 2 330.403 3.569 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)o1 ZINC000051967577 1040244754 /nfs/dbraw/zinc/24/47/54/1040244754.db2.gz YAUWAHRUTNIGMF-CQSZACIVSA-N 1 2 330.403 3.569 20 0 EHADLO Clc1ccc2ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000432945305 1040245842 /nfs/dbraw/zinc/24/58/42/1040245842.db2.gz YNHLMSVYZHHLRB-MRXNPFEDSA-N 1 2 325.799 3.941 20 0 EHADLO CCC/C=C\[C@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000907934621 1040249800 /nfs/dbraw/zinc/24/98/00/1040249800.db2.gz LAHBXRLVMXTMKB-FLRSBDJRSA-N 1 2 339.439 3.542 20 0 EHADLO Cc1ccc2c(CC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)coc2c1 ZINC000553634480 1040258358 /nfs/dbraw/zinc/25/83/58/1040258358.db2.gz UJUWQJKUOITELY-UHFFFAOYSA-N 1 2 346.390 3.562 20 0 EHADLO Cc1oncc1C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000189583890 1040261728 /nfs/dbraw/zinc/26/17/28/1040261728.db2.gz XEPVRLUMRCDPRL-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO Cc1oncc1C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000189583890 1040261748 /nfs/dbraw/zinc/26/17/48/1040261748.db2.gz XEPVRLUMRCDPRL-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO O=C([C@H]1CCC=CCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000908117795 1040297884 /nfs/dbraw/zinc/29/78/84/1040297884.db2.gz GJEYXFHGYJVOAI-KRWDZBQOSA-N 1 2 347.528 3.744 20 0 EHADLO COc1ccc2ccc(N[C@@H]3CCO[C@@H](c4ccccn4)C3)[nH+]c2c1 ZINC000894101874 1040305278 /nfs/dbraw/zinc/30/52/78/1040305278.db2.gz RYJWIHLUVXTERH-DNVCBOLYSA-N 1 2 335.407 3.971 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH+]1CCN(c2cccnn2)CC1 ZINC000152129724 1040328769 /nfs/dbraw/zinc/32/87/69/1040328769.db2.gz LRIPWCTXTGQWJO-INIZCTEOSA-N 1 2 349.265 3.593 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCCO[C@@H](C(C)C)C1 ZINC000555265167 1040344227 /nfs/dbraw/zinc/34/42/27/1040344227.db2.gz SQGSYBRQVKCRPF-GOSISDBHSA-N 1 2 342.439 3.663 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C3CC3)CC2)cc1 ZINC000549482871 1040352896 /nfs/dbraw/zinc/35/28/96/1040352896.db2.gz VRMCFIDMCITHKN-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO CCN(CC(C)(C)C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908324570 1040410651 /nfs/dbraw/zinc/41/06/51/1040410651.db2.gz UHTSJJYMHLUOLA-UHFFFAOYSA-N 1 2 328.460 3.503 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001143508680 1040422523 /nfs/dbraw/zinc/42/25/23/1040422523.db2.gz QCMRHEBHYWZRST-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001143508680 1040422534 /nfs/dbraw/zinc/42/25/34/1040422534.db2.gz QCMRHEBHYWZRST-ZDUSSCGKSA-N 1 2 344.768 3.787 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000481176369 1040434246 /nfs/dbraw/zinc/43/42/46/1040434246.db2.gz OCFYFVSRHUOCDL-LLVKDONJSA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000481176369 1040434259 /nfs/dbraw/zinc/43/42/59/1040434259.db2.gz OCFYFVSRHUOCDL-LLVKDONJSA-N 1 2 342.252 3.904 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC000893331345 1040477807 /nfs/dbraw/zinc/47/78/07/1040477807.db2.gz GBNRSEQLSIIFSX-UHFFFAOYSA-N 1 2 337.448 3.738 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@@](=O)C1 ZINC000433034007 1040517014 /nfs/dbraw/zinc/51/70/14/1040517014.db2.gz XKNZTNNGFHFTPO-MCMMXHMISA-N 1 2 337.485 3.755 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@@](=O)C1 ZINC000433034007 1040517032 /nfs/dbraw/zinc/51/70/32/1040517032.db2.gz XKNZTNNGFHFTPO-MCMMXHMISA-N 1 2 337.485 3.755 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C)c(OC)c2)nc1C ZINC000567664192 1040547091 /nfs/dbraw/zinc/54/70/91/1040547091.db2.gz SQXNOZCWNGDJKQ-ZDUSSCGKSA-N 1 2 348.468 3.796 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364239427 1040549245 /nfs/dbraw/zinc/54/92/45/1040549245.db2.gz IJIIQQQJJIRQEG-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364239427 1040549263 /nfs/dbraw/zinc/54/92/63/1040549263.db2.gz IJIIQQQJJIRQEG-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO Cc1nc2scc(CC(C)C)c2c(NCc2ccc[nH+]c2N)n1 ZINC000663962686 1040636440 /nfs/dbraw/zinc/63/64/40/1040636440.db2.gz PWGFVEOXEJQWTO-UHFFFAOYSA-N 1 2 327.457 3.788 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3F)CC2)s1 ZINC000487011453 1040646728 /nfs/dbraw/zinc/64/67/28/1040646728.db2.gz HZXKSWCNZQAPDO-UHFFFAOYSA-N 1 2 346.471 3.716 20 0 EHADLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000601452786 1040804653 /nfs/dbraw/zinc/80/46/53/1040804653.db2.gz HQWZPOYVGHMDFU-UHFFFAOYSA-N 1 2 342.443 3.595 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000054730010 1040981819 /nfs/dbraw/zinc/98/18/19/1040981819.db2.gz AJYBFCLANLOLMX-AWEZNQCLSA-N 1 2 344.484 3.612 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H](C3CCC3)C3CCCC3)[nH+]cn2)CC1 ZINC000664053139 1041006086 /nfs/dbraw/zinc/00/60/86/1041006086.db2.gz YWLJGTSXJQZCHT-IBGZPJMESA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@H](C3CCC3)C3CCCC3)nc[nH+]2)CC1 ZINC000664053139 1041006100 /nfs/dbraw/zinc/00/61/00/1041006100.db2.gz YWLJGTSXJQZCHT-IBGZPJMESA-N 1 2 344.503 3.599 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511515 1041007196 /nfs/dbraw/zinc/00/71/96/1041007196.db2.gz XYQQYHPYVPTXQM-DDUZABMNSA-N 1 2 335.517 3.996 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481511515 1041007207 /nfs/dbraw/zinc/00/72/07/1041007207.db2.gz XYQQYHPYVPTXQM-DDUZABMNSA-N 1 2 335.517 3.996 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]1CF ZINC000555696899 1041022188 /nfs/dbraw/zinc/02/21/88/1041022188.db2.gz MULWBAAYAYKOLX-QFBILLFUSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]1CF ZINC000555696899 1041022195 /nfs/dbraw/zinc/02/21/95/1041022195.db2.gz MULWBAAYAYKOLX-QFBILLFUSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000512817592 1041023127 /nfs/dbraw/zinc/02/31/27/1041023127.db2.gz MEHGGZMFAQALLS-HNNXBMFYSA-N 1 2 337.398 3.604 20 0 EHADLO CC(C)OC[C@@H](OC(=O)CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000760643143 1041032373 /nfs/dbraw/zinc/03/23/73/1041032373.db2.gz HNCOQUAQSKZFDD-QGZVFWFLSA-N 1 2 334.391 3.512 20 0 EHADLO COc1ccccc1-n1cnn(C[NH+]2CCCCCCC2)c1=S ZINC000054842837 1041035265 /nfs/dbraw/zinc/03/52/65/1041035265.db2.gz ZKECCTFVIQOMNX-UHFFFAOYSA-N 1 2 332.473 3.635 20 0 EHADLO CCCCC[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000487667193 1041037697 /nfs/dbraw/zinc/03/76/97/1041037697.db2.gz FYYXKWWEOZRLAL-SFHVURJKSA-N 1 2 344.503 3.805 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3CC4(CCC4)C3)n2)c1 ZINC000582122700 1041050384 /nfs/dbraw/zinc/05/03/84/1041050384.db2.gz WIZBSCPMPGPWNL-UHFFFAOYSA-N 1 2 339.439 3.617 20 0 EHADLO O[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1c(F)cccc1Cl ZINC000783257027 1041070856 /nfs/dbraw/zinc/07/08/56/1041070856.db2.gz ZCBCEDZJANYJLW-DOTOQJQBSA-N 1 2 345.805 3.615 20 0 EHADLO CCc1cccc(Cl)c1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000473484147 1041102461 /nfs/dbraw/zinc/10/24/61/1041102461.db2.gz RIHMUAFDCQHSBH-UHFFFAOYSA-N 1 2 345.874 3.742 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000433249353 1041158590 /nfs/dbraw/zinc/15/85/90/1041158590.db2.gz VVFQMEZKQKAUDI-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000433249353 1041158598 /nfs/dbraw/zinc/15/85/98/1041158598.db2.gz VVFQMEZKQKAUDI-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419296934 1041160943 /nfs/dbraw/zinc/16/09/43/1041160943.db2.gz YGDIPJZOPNWWJW-KUHUBIRLSA-N 1 2 344.455 3.661 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC2(CCC2)O1 ZINC000571103977 1041184664 /nfs/dbraw/zinc/18/46/64/1041184664.db2.gz IQTVGXGYFVMFOJ-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC2(CCC2)O1 ZINC000571103977 1041184672 /nfs/dbraw/zinc/18/46/72/1041184672.db2.gz IQTVGXGYFVMFOJ-QGZVFWFLSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000571102772 1041185247 /nfs/dbraw/zinc/18/52/47/1041185247.db2.gz UUOQOGGAXHWSIM-CYBMUJFWSA-N 1 2 327.403 3.586 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000571102772 1041185254 /nfs/dbraw/zinc/18/52/54/1041185254.db2.gz UUOQOGGAXHWSIM-CYBMUJFWSA-N 1 2 327.403 3.586 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C)O1 ZINC000487928591 1041190103 /nfs/dbraw/zinc/19/01/03/1041190103.db2.gz WRXDIEXTPYIHQX-VQIMIIECSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C)O1 ZINC000487928591 1041190110 /nfs/dbraw/zinc/19/01/10/1041190110.db2.gz WRXDIEXTPYIHQX-VQIMIIECSA-N 1 2 326.440 3.660 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000571176051 1041194590 /nfs/dbraw/zinc/19/45/90/1041194590.db2.gz OCXCYOWDPBSFPW-AWEZNQCLSA-N 1 2 327.428 3.939 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000571176051 1041194600 /nfs/dbraw/zinc/19/46/00/1041194600.db2.gz OCXCYOWDPBSFPW-AWEZNQCLSA-N 1 2 327.428 3.939 20 0 EHADLO CC(C)c1nc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000668812333 1041212502 /nfs/dbraw/zinc/21/25/02/1041212502.db2.gz LUDPWXYKNRQPJC-MRXNPFEDSA-N 1 2 331.485 3.655 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433291613 1041227179 /nfs/dbraw/zinc/22/71/79/1041227179.db2.gz WRMAWCQZWGQMGJ-WCQYABFASA-N 1 2 335.860 3.613 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433291613 1041227195 /nfs/dbraw/zinc/22/71/95/1041227195.db2.gz WRMAWCQZWGQMGJ-WCQYABFASA-N 1 2 335.860 3.613 20 0 EHADLO Clc1cccc([C@@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000433298665 1041249987 /nfs/dbraw/zinc/24/99/87/1041249987.db2.gz PDTWWZOIQDCFNB-MRXNPFEDSA-N 1 2 338.842 3.910 20 0 EHADLO Clc1cccc([C@@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000433298665 1041250000 /nfs/dbraw/zinc/25/00/00/1041250000.db2.gz PDTWWZOIQDCFNB-MRXNPFEDSA-N 1 2 338.842 3.910 20 0 EHADLO CCCc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cnn1C1CCCC1 ZINC000571290018 1041255517 /nfs/dbraw/zinc/25/55/17/1041255517.db2.gz GPVLWGJFXVRFGW-UHFFFAOYSA-N 1 2 337.427 3.851 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCCCc1ccccc1 ZINC000052073815 1041268915 /nfs/dbraw/zinc/26/89/15/1041268915.db2.gz SFAKBRYXWRCMQB-MRXNPFEDSA-N 1 2 328.431 3.568 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCCCc1ccccc1 ZINC000052073815 1041268926 /nfs/dbraw/zinc/26/89/26/1041268926.db2.gz SFAKBRYXWRCMQB-MRXNPFEDSA-N 1 2 328.431 3.568 20 0 EHADLO Cc1ccccc1-c1csc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000364424480 1041269630 /nfs/dbraw/zinc/26/96/30/1041269630.db2.gz CCZHKOXXLCESLZ-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO CC(C)(C)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000571345989 1041272936 /nfs/dbraw/zinc/27/29/36/1041272936.db2.gz YEEOOJYUMWSFQB-IAGOWNOFSA-N 1 2 341.455 3.960 20 0 EHADLO CC(C)(C)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000571345989 1041272952 /nfs/dbraw/zinc/27/29/52/1041272952.db2.gz YEEOOJYUMWSFQB-IAGOWNOFSA-N 1 2 341.455 3.960 20 0 EHADLO CCSc1cccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000512939995 1041277026 /nfs/dbraw/zinc/27/70/26/1041277026.db2.gz JXWJRTSGUQFODA-RHSMWYFYSA-N 1 2 341.480 3.905 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2CC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000571405570 1041287039 /nfs/dbraw/zinc/28/70/39/1041287039.db2.gz JMBBGMYZWXVRSB-OAHLLOKOSA-N 1 2 328.456 3.599 20 0 EHADLO c1sc(-c2ccccc2)nc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000513005266 1041378731 /nfs/dbraw/zinc/37/87/31/1041378731.db2.gz UNMYSEPZTCPKKT-UHFFFAOYSA-N 1 2 336.464 3.839 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cc(F)cc(Br)c2)CCCC1 ZINC000432023925 1041469371 /nfs/dbraw/zinc/46/93/71/1041469371.db2.gz IOBQAZIQXLWQFV-UHFFFAOYSA-N 1 2 344.224 3.506 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cc(F)cc(Br)c2)CCCC1 ZINC000432023925 1041469378 /nfs/dbraw/zinc/46/93/78/1041469378.db2.gz IOBQAZIQXLWQFV-UHFFFAOYSA-N 1 2 344.224 3.506 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cs1 ZINC000111376765 1041547663 /nfs/dbraw/zinc/54/76/63/1041547663.db2.gz HOJIZQPQLBBJRK-VXGBXAGGSA-N 1 2 345.468 3.586 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]C2(c3ccc(Br)cc3)CC2)n1 ZINC000925703429 1041581208 /nfs/dbraw/zinc/58/12/08/1041581208.db2.gz UQPCGXOVBCMABC-LLVKDONJSA-N 1 2 349.276 3.709 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC000119972117 1041624718 /nfs/dbraw/zinc/62/47/18/1041624718.db2.gz YTCCTMCCIHGORU-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561705 1041673981 /nfs/dbraw/zinc/67/39/81/1041673981.db2.gz VKGWAIULZRZVQQ-ZFWWWQNUSA-N 1 2 345.361 3.526 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561705 1041673985 /nfs/dbraw/zinc/67/39/85/1041673985.db2.gz VKGWAIULZRZVQQ-ZFWWWQNUSA-N 1 2 345.361 3.526 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000026630625 1041721447 /nfs/dbraw/zinc/72/14/47/1041721447.db2.gz GFVYJFJPHIBTMW-ZDUSSCGKSA-N 1 2 334.489 3.736 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000026630625 1041721453 /nfs/dbraw/zinc/72/14/53/1041721453.db2.gz GFVYJFJPHIBTMW-ZDUSSCGKSA-N 1 2 334.489 3.736 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C(F)F)C1 ZINC000660626635 1041731816 /nfs/dbraw/zinc/73/18/16/1041731816.db2.gz YWYQMJNSVNELTH-HOCLYGCPSA-N 1 2 338.442 3.867 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccccc2OC)cc1 ZINC000511861675 1041737709 /nfs/dbraw/zinc/73/77/09/1041737709.db2.gz UPKNZNWPTLPNPC-INIZCTEOSA-N 1 2 340.467 3.696 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccccc2OC)cc1 ZINC000511861675 1041737717 /nfs/dbraw/zinc/73/77/17/1041737717.db2.gz UPKNZNWPTLPNPC-INIZCTEOSA-N 1 2 340.467 3.696 20 0 EHADLO C[N@H+](CC[C@@H]1CCc2ccccc21)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766140 1041812547 /nfs/dbraw/zinc/81/25/47/1041812547.db2.gz KJUCQLMDMVFTOK-FXAWDEMLSA-N 1 2 332.451 3.946 20 0 EHADLO C[N@@H+](CC[C@@H]1CCc2ccccc21)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766140 1041812550 /nfs/dbraw/zinc/81/25/50/1041812550.db2.gz KJUCQLMDMVFTOK-FXAWDEMLSA-N 1 2 332.451 3.946 20 0 EHADLO CCCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000044079596 1041820644 /nfs/dbraw/zinc/82/06/44/1041820644.db2.gz KZZFUPNPKDLHKK-UHFFFAOYSA-N 1 2 338.455 3.956 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000044438429 1041932205 /nfs/dbraw/zinc/93/22/05/1041932205.db2.gz VHPNGYGVJYNXLR-QAPCUYQASA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000044438429 1041932209 /nfs/dbraw/zinc/93/22/09/1041932209.db2.gz VHPNGYGVJYNXLR-QAPCUYQASA-N 1 2 336.426 3.578 20 0 EHADLO C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000843671368 1041968838 /nfs/dbraw/zinc/96/88/38/1041968838.db2.gz VGTYVDDIVTUTQR-FQEVSTJZSA-N 1 2 337.398 3.711 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H]2COc3c2cccc3Cl)cc1F ZINC000651736354 1041981772 /nfs/dbraw/zinc/98/17/72/1041981772.db2.gz WJGWYRORDMSGDQ-AWEZNQCLSA-N 1 2 337.778 3.720 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651843346 1042098356 /nfs/dbraw/zinc/09/83/56/1042098356.db2.gz CDPWUGXFPMXFNI-HOTGVXAUSA-N 1 2 331.504 3.873 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000025497917 1042101605 /nfs/dbraw/zinc/10/16/05/1042101605.db2.gz CCTQDCZVYAUBQF-OLZOCXBDSA-N 1 2 328.412 3.694 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000025497917 1042101607 /nfs/dbraw/zinc/10/16/07/1042101607.db2.gz CCTQDCZVYAUBQF-OLZOCXBDSA-N 1 2 328.412 3.694 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)c1cscn1 ZINC000661424205 1042113736 /nfs/dbraw/zinc/11/37/36/1042113736.db2.gz OSZLEPFDNBIYCX-KBPBESRZSA-N 1 2 339.464 3.824 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511808 1042164859 /nfs/dbraw/zinc/16/48/59/1042164859.db2.gz MVTRKGUATWMIDI-CXAGYDPISA-N 1 2 344.455 3.607 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511808 1042164862 /nfs/dbraw/zinc/16/48/62/1042164862.db2.gz MVTRKGUATWMIDI-CXAGYDPISA-N 1 2 344.455 3.607 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534486 1042176320 /nfs/dbraw/zinc/17/63/20/1042176320.db2.gz DCDXJWCPLICVPP-STQMWFEESA-N 1 2 331.382 3.693 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534486 1042176323 /nfs/dbraw/zinc/17/63/23/1042176323.db2.gz DCDXJWCPLICVPP-STQMWFEESA-N 1 2 331.382 3.693 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnc(C3CC3)s2)cc1 ZINC000661556806 1042186929 /nfs/dbraw/zinc/18/69/29/1042186929.db2.gz SJURGMZTKQYUCS-FKEKPDDDSA-N 1 2 341.480 3.990 20 0 EHADLO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnc(C3CC3)s2)cc1 ZINC000661556806 1042186932 /nfs/dbraw/zinc/18/69/32/1042186932.db2.gz SJURGMZTKQYUCS-FKEKPDDDSA-N 1 2 341.480 3.990 20 0 EHADLO CC[C@H](C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661582451 1042201013 /nfs/dbraw/zinc/20/10/13/1042201013.db2.gz AFTPZYGNIZQUSR-HNNXBMFYSA-N 1 2 332.492 3.545 20 0 EHADLO CC[C@H](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000661584298 1042205324 /nfs/dbraw/zinc/20/53/24/1042205324.db2.gz QZWWZWRNZIEYLQ-KRWDZBQOSA-N 1 2 346.519 3.766 20 0 EHADLO Cc1ccc2[nH]c(C[NH+]3CCN(Cc4cccc(O)c4)CC3)cc2c1C ZINC000473144511 1042317162 /nfs/dbraw/zinc/31/71/62/1042317162.db2.gz YISKVXLRRWCTLV-UHFFFAOYSA-N 1 2 349.478 3.808 20 0 EHADLO CC[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000661864608 1042372380 /nfs/dbraw/zinc/37/23/80/1042372380.db2.gz KCNKRIRDXCLQFV-RTBURBONSA-N 1 2 340.471 3.729 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000661878531 1042383746 /nfs/dbraw/zinc/38/37/46/1042383746.db2.gz NWRMZJXDXBOYQV-RYUDHWBXSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000661878531 1042383740 /nfs/dbraw/zinc/38/37/40/1042383740.db2.gz NWRMZJXDXBOYQV-RYUDHWBXSA-N 1 2 334.407 3.943 20 0 EHADLO Fc1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1Br ZINC000662046869 1042479496 /nfs/dbraw/zinc/47/94/96/1042479496.db2.gz SKTHHRSKTKCSIJ-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO Cc1cccc(C2(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCC2)c1 ZINC000049766824 1042483809 /nfs/dbraw/zinc/48/38/09/1042483809.db2.gz GEEGJKUOHIHJGA-UHFFFAOYSA-N 1 2 349.478 3.597 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1OCC ZINC000662103577 1042524496 /nfs/dbraw/zinc/52/44/96/1042524496.db2.gz MSSHMNTVEBYXQY-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCOc1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1OCC ZINC000662103577 1042524503 /nfs/dbraw/zinc/52/45/03/1042524503.db2.gz MSSHMNTVEBYXQY-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(cnn3C(C)C)c2)c[nH+]1 ZINC000652546655 1042531261 /nfs/dbraw/zinc/53/12/61/1042531261.db2.gz LFFDFVKRJJPPKX-UHFFFAOYSA-N 1 2 337.427 3.951 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccc2ccccc2c1 ZINC000184428792 1042540764 /nfs/dbraw/zinc/54/07/64/1042540764.db2.gz JCBSYOYADJJCDS-KGLIPLIRSA-N 1 2 339.464 3.824 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000662241928 1042628644 /nfs/dbraw/zinc/62/86/44/1042628644.db2.gz YVCNCTZRLQRRGW-ZFWWWQNUSA-N 1 2 329.362 3.691 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000662241928 1042628650 /nfs/dbraw/zinc/62/86/50/1042628650.db2.gz YVCNCTZRLQRRGW-ZFWWWQNUSA-N 1 2 329.362 3.691 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)CC3=CCSC3)nc(=O)c2c1C ZINC000662268200 1042643549 /nfs/dbraw/zinc/64/35/49/1042643549.db2.gz SEIJNPPOMUWHCD-SNVBAGLBSA-N 1 2 335.498 3.680 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)CC3=CCSC3)nc(=O)c2c1C ZINC000662268200 1042643553 /nfs/dbraw/zinc/64/35/53/1042643553.db2.gz SEIJNPPOMUWHCD-SNVBAGLBSA-N 1 2 335.498 3.680 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000061760974 1042651108 /nfs/dbraw/zinc/65/11/08/1042651108.db2.gz UZJGVUHHNFKYFM-ZDUSSCGKSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000061760974 1042651112 /nfs/dbraw/zinc/65/11/12/1042651112.db2.gz UZJGVUHHNFKYFM-ZDUSSCGKSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161611147 1042673057 /nfs/dbraw/zinc/67/30/57/1042673057.db2.gz HYYWTNMSEQIRKF-WMZOPIPTSA-N 1 2 325.456 3.658 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000343942544 1042897532 /nfs/dbraw/zinc/89/75/32/1042897532.db2.gz OUILEZGQQSQPSP-LJQANCHMSA-N 1 2 347.480 3.552 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000343942544 1042897533 /nfs/dbraw/zinc/89/75/33/1042897533.db2.gz OUILEZGQQSQPSP-LJQANCHMSA-N 1 2 347.480 3.552 20 0 EHADLO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000604325489 1042907786 /nfs/dbraw/zinc/90/77/86/1042907786.db2.gz SFOHXDAGSATPPD-LJQANCHMSA-N 1 2 330.472 3.914 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000343948091 1042919772 /nfs/dbraw/zinc/91/97/72/1042919772.db2.gz CSQQTIFECCAQAB-IBGZPJMESA-N 1 2 336.439 3.859 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000343948091 1042919777 /nfs/dbraw/zinc/91/97/77/1042919777.db2.gz CSQQTIFECCAQAB-IBGZPJMESA-N 1 2 336.439 3.859 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCOC(C)(C)C1 ZINC000303858801 1042945210 /nfs/dbraw/zinc/94/52/10/1042945210.db2.gz MBZDXVOIJUCXIQ-UHFFFAOYSA-N 1 2 342.439 3.644 20 0 EHADLO CCC(CC)CN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985737 1043024438 /nfs/dbraw/zinc/02/44/38/1043024438.db2.gz VQYYSAIVXMXTMN-UHFFFAOYSA-N 1 2 328.460 3.840 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000007285413 1043036557 /nfs/dbraw/zinc/03/65/57/1043036557.db2.gz OZKYYDDWPPWANJ-ZDUSSCGKSA-N 1 2 339.464 3.884 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000007285413 1043036561 /nfs/dbraw/zinc/03/65/61/1043036561.db2.gz OZKYYDDWPPWANJ-ZDUSSCGKSA-N 1 2 339.464 3.884 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000278940138 1043046272 /nfs/dbraw/zinc/04/62/72/1043046272.db2.gz NKFXIXCWWDRYHD-AWEZNQCLSA-N 1 2 347.802 3.803 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000278940138 1043046279 /nfs/dbraw/zinc/04/62/79/1043046279.db2.gz NKFXIXCWWDRYHD-AWEZNQCLSA-N 1 2 347.802 3.803 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000626269953 1043051923 /nfs/dbraw/zinc/05/19/23/1043051923.db2.gz JEJJTZPLGCDGFB-INIZCTEOSA-N 1 2 335.407 3.618 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000787289887 1133983888 /nfs/dbraw/zinc/98/38/88/1133983888.db2.gz MPBVMRIPRXOJAS-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(C)o1 ZINC000638722403 1043320437 /nfs/dbraw/zinc/32/04/37/1043320437.db2.gz QCNOZVLENAXDHJ-OAHLLOKOSA-N 1 2 332.350 3.892 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CC[C@H](COCc2ccccc2)C1 ZINC000663666958 1043377403 /nfs/dbraw/zinc/37/74/03/1043377403.db2.gz BMQDXVPMYUCTNK-KRWDZBQOSA-N 1 2 333.435 3.860 20 0 EHADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000279131509 1043398824 /nfs/dbraw/zinc/39/88/24/1043398824.db2.gz DZEFGSNDVKSUJM-MRVPVSSYSA-N 1 2 330.190 3.666 20 0 EHADLO CCCn1ncnc1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000279133521 1043411501 /nfs/dbraw/zinc/41/15/01/1043411501.db2.gz WNBIXAFHCDUCJJ-CYBMUJFWSA-N 1 2 328.416 3.602 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3nc(C(C)C)c(C)s3)ccc2[nH+]1 ZINC000279187724 1043521026 /nfs/dbraw/zinc/52/10/26/1043521026.db2.gz IKTQPEKSUIDVDS-UHFFFAOYSA-N 1 2 328.441 3.712 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1ccccc1)c1ccccn1 ZINC000606584007 1043699290 /nfs/dbraw/zinc/69/92/90/1043699290.db2.gz XCBCCJHTHWEYHR-LJQANCHMSA-N 1 2 343.390 3.640 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000279281688 1043706901 /nfs/dbraw/zinc/70/69/01/1043706901.db2.gz WVVUUEUXWDAWLZ-UHFFFAOYSA-N 1 2 332.835 3.543 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438649 1043757314 /nfs/dbraw/zinc/75/73/14/1043757314.db2.gz FNBGMDXFZCUCMA-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438649 1043757319 /nfs/dbraw/zinc/75/73/19/1043757319.db2.gz FNBGMDXFZCUCMA-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO CCc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nnc1-c1ccccc1 ZINC000663714581 1043787837 /nfs/dbraw/zinc/78/78/37/1043787837.db2.gz XKUVZVZAXJOTED-VQIMIIECSA-N 1 2 347.466 3.990 20 0 EHADLO CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000279322822 1043935271 /nfs/dbraw/zinc/93/52/71/1043935271.db2.gz NBTCEOYAVPLBFO-UHFFFAOYSA-N 1 2 332.835 3.764 20 0 EHADLO CC[C@H](c1nnc(S[C@H](C)[C@@H](C)O)n1C1CCCCC1)[NH+](C)C ZINC000446804604 1043995878 /nfs/dbraw/zinc/99/58/78/1043995878.db2.gz UVJJPYWFPMQORF-UMVBOHGHSA-N 1 2 340.537 3.657 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000279402517 1044053531 /nfs/dbraw/zinc/05/35/31/1044053531.db2.gz IAVTXXHHGZHDOE-QGZVFWFLSA-N 1 2 343.471 3.714 20 0 EHADLO CSc1cccc(F)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000344535028 1044105959 /nfs/dbraw/zinc/10/59/59/1044105959.db2.gz RWSTUKKYSWSEFQ-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000344637590 1044225461 /nfs/dbraw/zinc/22/54/61/1044225461.db2.gz HQHMEJOUBHKCRE-UHFFFAOYSA-N 1 2 345.390 3.892 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C(C)C)s2)cc1 ZINC000344690160 1044296766 /nfs/dbraw/zinc/29/67/66/1044296766.db2.gz WDVRAYNCWKXJQG-UHFFFAOYSA-N 1 2 327.457 3.650 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)cc1C ZINC000337851320 1044499639 /nfs/dbraw/zinc/49/96/39/1044499639.db2.gz RRYULXHPFRIMFZ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)cc1C ZINC000337851320 1044499643 /nfs/dbraw/zinc/49/96/43/1044499643.db2.gz RRYULXHPFRIMFZ-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO c1nc(-c2ccncc2)sc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000344854292 1044535038 /nfs/dbraw/zinc/53/50/38/1044535038.db2.gz MGNATERRTOZLEK-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO Clc1cccc([C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)c1 ZINC000344880395 1044644908 /nfs/dbraw/zinc/64/49/08/1044644908.db2.gz ABNFJEYKGDQOQC-KRWDZBQOSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1cccc([C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)c1 ZINC000344880395 1044644912 /nfs/dbraw/zinc/64/49/12/1044644912.db2.gz ABNFJEYKGDQOQC-KRWDZBQOSA-N 1 2 327.815 3.790 20 0 EHADLO CC(C)COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000345013823 1044819835 /nfs/dbraw/zinc/81/98/35/1044819835.db2.gz PBCJQDBMQIZVAU-UHFFFAOYSA-N 1 2 341.455 3.739 20 0 EHADLO CCn1ccnc1C[N@@H+](Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000338323518 1044876075 /nfs/dbraw/zinc/87/60/75/1044876075.db2.gz YCVWOSHJODFMAR-UHFFFAOYSA-N 1 2 343.471 3.723 20 0 EHADLO CCn1ccnc1C[N@H+](Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000338323518 1044876096 /nfs/dbraw/zinc/87/60/96/1044876096.db2.gz YCVWOSHJODFMAR-UHFFFAOYSA-N 1 2 343.471 3.723 20 0 EHADLO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000850583206 1136293122 /nfs/dbraw/zinc/29/31/22/1136293122.db2.gz JKNWRJFQVMZCAL-OUJBWJOFSA-N 1 2 341.274 3.678 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153564551 1125632227 /nfs/dbraw/zinc/63/22/27/1125632227.db2.gz OZVVCYBPKQIYAS-DNVCBOLYSA-N 1 2 339.439 3.568 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000153607854 1125636362 /nfs/dbraw/zinc/63/63/62/1125636362.db2.gz MLDBUUKAEGCSPJ-LBPRGKRZSA-N 1 2 331.416 3.679 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000153607854 1125636366 /nfs/dbraw/zinc/63/63/66/1125636366.db2.gz MLDBUUKAEGCSPJ-LBPRGKRZSA-N 1 2 331.416 3.679 20 0 EHADLO CC(C)C[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000153706802 1125651446 /nfs/dbraw/zinc/65/14/46/1125651446.db2.gz GIBDLDIKTSGLDL-RISCZKNCSA-N 1 2 326.366 3.937 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000155077830 1125783218 /nfs/dbraw/zinc/78/32/18/1125783218.db2.gz GTYRLUXXTCJPGT-UHFFFAOYSA-N 1 2 340.254 3.671 20 0 EHADLO O=C(COc1cccc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000171928481 1126770440 /nfs/dbraw/zinc/77/04/40/1126770440.db2.gz FBIRSSBDTGEJQM-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000171939134 1126770885 /nfs/dbraw/zinc/77/08/85/1126770885.db2.gz QCEYZOHAAGMIRB-LBPRGKRZSA-N 1 2 341.436 3.633 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000171939134 1126770888 /nfs/dbraw/zinc/77/08/88/1126770888.db2.gz QCEYZOHAAGMIRB-LBPRGKRZSA-N 1 2 341.436 3.633 20 0 EHADLO COCCCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185233163 1126832105 /nfs/dbraw/zinc/83/21/05/1126832105.db2.gz RLOFMXPLGMTYNK-SNVBAGLBSA-N 1 2 334.229 3.761 20 0 EHADLO C[C@@H]([NH2+]Cc1cscn1)c1cc(Br)cc(F)c1O ZINC000185246582 1126837581 /nfs/dbraw/zinc/83/75/81/1126837581.db2.gz CQHPTLFLCOXREZ-SSDOTTSWSA-N 1 2 331.210 3.601 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185254691 1126840347 /nfs/dbraw/zinc/84/03/47/1126840347.db2.gz FSFIBSIVFZYZGK-UHFFFAOYSA-N 1 2 338.791 3.798 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185254691 1126840351 /nfs/dbraw/zinc/84/03/51/1126840351.db2.gz FSFIBSIVFZYZGK-UHFFFAOYSA-N 1 2 338.791 3.798 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccccc3s2)s1 ZINC000175240554 1126867991 /nfs/dbraw/zinc/86/79/91/1126867991.db2.gz CTVNZOGNGGFLEB-WDEREUQCSA-N 1 2 346.481 3.739 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)s1)C(F)(F)F ZINC000342951749 1126872482 /nfs/dbraw/zinc/87/24/82/1126872482.db2.gz MARTYXZQIYWILP-IUODEOHRSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)s1)C(F)(F)F ZINC000342951749 1126872485 /nfs/dbraw/zinc/87/24/85/1126872485.db2.gz MARTYXZQIYWILP-IUODEOHRSA-N 1 2 342.386 3.698 20 0 EHADLO Cc1cnc([C@@H]([NH2+]Cc2cc(=O)oc3cc(O)ccc23)C2CC2)s1 ZINC000185347008 1126874336 /nfs/dbraw/zinc/87/43/36/1126874336.db2.gz RRFVJUCWWBRTKT-KRWDZBQOSA-N 1 2 342.420 3.504 20 0 EHADLO C[N@H+](Cc1ccc(C(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000763809737 1126874611 /nfs/dbraw/zinc/87/46/11/1126874611.db2.gz OIQSVAPJKNBTPQ-UHFFFAOYSA-N 1 2 329.350 3.905 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000763809737 1126874614 /nfs/dbraw/zinc/87/46/14/1126874614.db2.gz OIQSVAPJKNBTPQ-UHFFFAOYSA-N 1 2 329.350 3.905 20 0 EHADLO CC[C@H](C[NH2+]Cc1cn[nH]c1C)Oc1ccccc1C(F)(F)F ZINC000175804333 1126881818 /nfs/dbraw/zinc/88/18/18/1126881818.db2.gz LLKGYCRGLPHHEU-CYBMUJFWSA-N 1 2 327.350 3.684 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623232171 1126899471 /nfs/dbraw/zinc/89/94/71/1126899471.db2.gz XHHVWRXMVCXHSU-KZULUSFZSA-N 1 2 344.842 3.713 20 0 EHADLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1OC(F)F ZINC000623230930 1126899934 /nfs/dbraw/zinc/89/99/34/1126899934.db2.gz BULNDLWGSKRMRC-SJKOYZFVSA-N 1 2 346.377 3.652 20 0 EHADLO CN(Cc1c(Cl)cccc1Cl)C(=O)CCCn1cc[nH+]c1 ZINC000623253648 1126903125 /nfs/dbraw/zinc/90/31/25/1126903125.db2.gz XTOOSISUNUOOMH-UHFFFAOYSA-N 1 2 326.227 3.629 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000623245291 1126905155 /nfs/dbraw/zinc/90/51/55/1126905155.db2.gz GSTLPWIKAPEPFB-UHFFFAOYSA-N 1 2 345.406 3.845 20 0 EHADLO CCCCSc1ccc(Cl)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261829 1126907947 /nfs/dbraw/zinc/90/79/47/1126907947.db2.gz CLXIHWMAGNXMQB-CYBMUJFWSA-N 1 2 349.887 3.783 20 0 EHADLO CO[C@H](C[N@@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccc(Cl)cc1 ZINC000623262629 1126907511 /nfs/dbraw/zinc/90/75/11/1126907511.db2.gz JBBCJYZJJBBAJY-GOSISDBHSA-N 1 2 344.842 3.506 20 0 EHADLO CO[C@H](C[N@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccc(Cl)cc1 ZINC000623262629 1126907514 /nfs/dbraw/zinc/90/75/14/1126907514.db2.gz JBBCJYZJJBBAJY-GOSISDBHSA-N 1 2 344.842 3.506 20 0 EHADLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000623344552 1126923576 /nfs/dbraw/zinc/92/35/76/1126923576.db2.gz SDKXEHLORJGNEC-VIFPVBQESA-N 1 2 326.347 3.660 20 0 EHADLO CN(C)C(=O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccccc1 ZINC000623383133 1126938852 /nfs/dbraw/zinc/93/88/52/1126938852.db2.gz FLDBAZMQIAPHMG-CQSZACIVSA-N 1 2 342.386 3.686 20 0 EHADLO C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515964 1126973166 /nfs/dbraw/zinc/97/31/66/1126973166.db2.gz XUEJOPPDXARWIQ-WOJBJXKFSA-N 1 2 343.559 3.750 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1OC1CC1 ZINC000623524255 1126974677 /nfs/dbraw/zinc/97/46/77/1126974677.db2.gz LFHWPTGZOMQYPT-LLVKDONJSA-N 1 2 334.366 3.760 20 0 EHADLO Cn1cnnc1C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000177862531 1127001504 /nfs/dbraw/zinc/00/15/04/1127001504.db2.gz QOMNOCZHKHIZRQ-UHFFFAOYSA-N 1 2 339.270 3.577 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178375325 1127016353 /nfs/dbraw/zinc/01/63/53/1127016353.db2.gz CIFSENHEDCTTQO-UHFFFAOYSA-N 1 2 340.452 3.687 20 0 EHADLO Cn1c[nH+]cc1Cc1nc(-c2ccccc2OCC2CCCC2)no1 ZINC000350421361 1127076053 /nfs/dbraw/zinc/07/60/53/1127076053.db2.gz LYGARIMZKOWAIB-UHFFFAOYSA-N 1 2 338.411 3.630 20 0 EHADLO Cc1cc(C)c(CC(=O)NCCCCNc2cccc[nH+]2)c(C)c1 ZINC000180055295 1127114858 /nfs/dbraw/zinc/11/48/58/1127114858.db2.gz GHJJAPHYRFMZMO-UHFFFAOYSA-N 1 2 325.456 3.558 20 0 EHADLO C[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000180546622 1127171011 /nfs/dbraw/zinc/17/10/11/1127171011.db2.gz MKQWXZYIMZHKTO-XJKSGUPXSA-N 1 2 333.501 3.741 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000180546622 1127171014 /nfs/dbraw/zinc/17/10/14/1127171014.db2.gz MKQWXZYIMZHKTO-XJKSGUPXSA-N 1 2 333.501 3.741 20 0 EHADLO Cc1csc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000623798150 1127173618 /nfs/dbraw/zinc/17/36/18/1127173618.db2.gz NCBXGWONYRYZMQ-ZDUSSCGKSA-N 1 2 331.268 3.972 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000180786866 1127186590 /nfs/dbraw/zinc/18/65/90/1127186590.db2.gz JSARTNSUFPFONF-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000180786866 1127186591 /nfs/dbraw/zinc/18/65/91/1127186591.db2.gz JSARTNSUFPFONF-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO COc1ccccc1[C@@H](CN[C@@H](C)c1nc(C)cs1)[NH+]1CCCC1 ZINC000623850287 1127197135 /nfs/dbraw/zinc/19/71/35/1127197135.db2.gz BQTJXTJKGUSATK-DOTOQJQBSA-N 1 2 345.512 3.948 20 0 EHADLO CC[C@@H](CN[C@H](C)c1nc(C)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000623857206 1127199288 /nfs/dbraw/zinc/19/92/88/1127199288.db2.gz KRAXBTKGLWBYNX-QAPCUYQASA-N 1 2 329.513 3.939 20 0 EHADLO CC[C@@H](CN[C@H](C)c1nc(C)cs1)[N@H+]1CCc2ccccc2C1 ZINC000623857206 1127199292 /nfs/dbraw/zinc/19/92/92/1127199292.db2.gz KRAXBTKGLWBYNX-QAPCUYQASA-N 1 2 329.513 3.939 20 0 EHADLO CCCCCNC(=O)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000623857777 1127199626 /nfs/dbraw/zinc/19/96/26/1127199626.db2.gz WXIAZPHNRLYRHI-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cc1oc(-c2ccccc2)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000623908360 1127212912 /nfs/dbraw/zinc/21/29/12/1127212912.db2.gz ZFWGFPCGRUISBT-UHFFFAOYSA-N 1 2 349.434 3.760 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)o1 ZINC000624133453 1127254312 /nfs/dbraw/zinc/25/43/12/1127254312.db2.gz OIBJBMYPTUHVIY-JTQLQIEISA-N 1 2 339.233 3.859 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000624155716 1127259525 /nfs/dbraw/zinc/25/95/25/1127259525.db2.gz BELKTZSEAVNCNC-CQSZACIVSA-N 1 2 326.366 3.694 20 0 EHADLO CCC(F)(F)C(C)(C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000624155716 1127259527 /nfs/dbraw/zinc/25/95/27/1127259527.db2.gz BELKTZSEAVNCNC-CQSZACIVSA-N 1 2 326.366 3.694 20 0 EHADLO CCO[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000624159752 1127261062 /nfs/dbraw/zinc/26/10/62/1127261062.db2.gz ONMMCDSYJHJBEU-SFHVURJKSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181736489 1127292995 /nfs/dbraw/zinc/29/29/95/1127292995.db2.gz BJNRBCGLKWTKNX-LLVKDONJSA-N 1 2 340.851 3.816 20 0 EHADLO CC(=O)Nc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1 ZINC000182191230 1127315975 /nfs/dbraw/zinc/31/59/75/1127315975.db2.gz SSFCBKFXOKDQDA-UHFFFAOYSA-N 1 2 328.803 3.797 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1F ZINC000083423672 1127312820 /nfs/dbraw/zinc/31/28/20/1127312820.db2.gz WYADFJBDUXLVDV-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1c(C)noc1C ZINC000182512281 1127333970 /nfs/dbraw/zinc/33/39/70/1127333970.db2.gz FDGTYAOVLSPHEO-MRXNPFEDSA-N 1 2 345.834 3.766 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000186143599 1127338669 /nfs/dbraw/zinc/33/86/69/1127338669.db2.gz JFGHZUSDVCTGMS-MRXNPFEDSA-N 1 2 334.347 3.810 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000186143599 1127338673 /nfs/dbraw/zinc/33/86/73/1127338673.db2.gz JFGHZUSDVCTGMS-MRXNPFEDSA-N 1 2 334.347 3.810 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCC2 ZINC000182615696 1127339917 /nfs/dbraw/zinc/33/99/17/1127339917.db2.gz RJOVKGUZIJAUOQ-RBUKOAKNSA-N 1 2 330.472 3.591 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnc(C)n3C3CC3)oc21 ZINC000182651731 1127341968 /nfs/dbraw/zinc/34/19/68/1127341968.db2.gz LFEGIOMFCLXBAL-LBPRGKRZSA-N 1 2 340.427 3.917 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182873157 1127351518 /nfs/dbraw/zinc/35/15/18/1127351518.db2.gz SQEKFYVBTXNMCC-INIZCTEOSA-N 1 2 345.443 3.706 20 0 EHADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000182911613 1127353418 /nfs/dbraw/zinc/35/34/18/1127353418.db2.gz SAHXMMUUFLYVRK-LBPRGKRZSA-N 1 2 325.343 3.913 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000184195923 1127397760 /nfs/dbraw/zinc/39/77/60/1127397760.db2.gz CBMUOJCTCUFKAP-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)cc1C ZINC000184185442 1127397907 /nfs/dbraw/zinc/39/79/07/1127397907.db2.gz SUHOKXJDXYOLCG-GOSISDBHSA-N 1 2 344.455 3.838 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1nccs1)c1ccc2c(c1)CCCC2 ZINC000184386197 1127403820 /nfs/dbraw/zinc/40/38/20/1127403820.db2.gz ZNHDTZIQEXZMBO-KGLIPLIRSA-N 1 2 343.496 3.550 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000184473740 1127406005 /nfs/dbraw/zinc/40/60/05/1127406005.db2.gz AYCXAMXHLZNPRH-KGLIPLIRSA-N 1 2 345.512 3.969 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](CC)C(=O)Nc2ccc(OC)cc2)cs1 ZINC000184703828 1127411707 /nfs/dbraw/zinc/41/17/07/1127411707.db2.gz VYMNUEYKANUUPP-IUODEOHRSA-N 1 2 347.484 3.782 20 0 EHADLO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185069760 1127420008 /nfs/dbraw/zinc/42/00/08/1127420008.db2.gz KEBOAPTZDVXXNB-IRXDYDNUSA-N 1 2 345.512 3.740 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)c1nccs1 ZINC000185106616 1127420855 /nfs/dbraw/zinc/42/08/55/1127420855.db2.gz CVZLFOMHXMWYFF-WBVHZDCISA-N 1 2 349.475 3.836 20 0 EHADLO Cc1cnc([C@@H]([NH2+]Cc2cc(F)cc3c2OCOC3)C2CC2)s1 ZINC000185353822 1127424828 /nfs/dbraw/zinc/42/48/28/1127424828.db2.gz BPJZPSDXONMVDF-HNNXBMFYSA-N 1 2 334.416 3.698 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)ccc2[nH+]1 ZINC000764094730 1127443610 /nfs/dbraw/zinc/44/36/10/1127443610.db2.gz DWAGIARMGGGRLT-UHFFFAOYSA-N 1 2 335.194 3.784 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000780561532 1127466391 /nfs/dbraw/zinc/46/63/91/1127466391.db2.gz ZNNOCMPIIDGDPI-SUMDDJOVSA-N 1 2 340.471 3.729 20 0 EHADLO CC[N@H+](CCc1ccccn1)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000764315632 1127477927 /nfs/dbraw/zinc/47/79/27/1127477927.db2.gz PUSXEQGWABBADK-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO CC[N@@H+](CCc1ccccn1)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000764315632 1127477928 /nfs/dbraw/zinc/47/79/28/1127477928.db2.gz PUSXEQGWABBADK-QGZVFWFLSA-N 1 2 332.831 3.514 20 0 EHADLO COC(=O)c1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1Cl ZINC000381867017 1127494923 /nfs/dbraw/zinc/49/49/23/1127494923.db2.gz JDKFYCZGOLHJLF-UHFFFAOYSA-N 1 2 325.836 3.516 20 0 EHADLO Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(N(C)C)[nH+]1 ZINC000749984287 1127545344 /nfs/dbraw/zinc/54/53/44/1127545344.db2.gz YGABVNLAGLNIBN-UHFFFAOYSA-N 1 2 338.436 3.832 20 0 EHADLO CC(C)(C)[C@H]([NH2+]CCCc1ccncc1)C(=O)OCc1ccccc1 ZINC000765003919 1127564064 /nfs/dbraw/zinc/56/40/64/1127564064.db2.gz QGBLEVSLYVHJEA-LJQANCHMSA-N 1 2 340.467 3.762 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000765017233 1127566022 /nfs/dbraw/zinc/56/60/22/1127566022.db2.gz ZMSSILSUDGKRRI-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000765017233 1127566024 /nfs/dbraw/zinc/56/60/24/1127566024.db2.gz ZMSSILSUDGKRRI-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC(CC)(CC)C2)nc1-c1ccccn1 ZINC000765075268 1127570430 /nfs/dbraw/zinc/57/04/30/1127570430.db2.gz DVTSXWDVPJAQEH-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC(CC)(CC)C2)nc1-c1ccccn1 ZINC000765075268 1127570432 /nfs/dbraw/zinc/57/04/32/1127570432.db2.gz DVTSXWDVPJAQEH-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000765323203 1127597314 /nfs/dbraw/zinc/59/73/14/1127597314.db2.gz QTWRMYRYOVUOOB-XITLMJRVSA-N 1 2 326.465 3.667 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000765315712 1127596219 /nfs/dbraw/zinc/59/62/19/1127596219.db2.gz JJDOFHPSUOAJSQ-PYLYLYNFSA-N 1 2 332.494 3.728 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015296436 1127652115 /nfs/dbraw/zinc/65/21/15/1127652115.db2.gz QCPUSFYSYWAXFK-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015296436 1127652117 /nfs/dbraw/zinc/65/21/17/1127652117.db2.gz QCPUSFYSYWAXFK-UHFFFAOYSA-N 1 2 337.423 3.940 20 0 EHADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000020814308 1127679493 /nfs/dbraw/zinc/67/94/93/1127679493.db2.gz KSNYKBOMJQDWNG-OAHLLOKOSA-N 1 2 348.454 3.699 20 0 EHADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)[C@H](C)c2ccccc2)n1 ZINC000020814308 1127679495 /nfs/dbraw/zinc/67/94/95/1127679495.db2.gz KSNYKBOMJQDWNG-OAHLLOKOSA-N 1 2 348.454 3.699 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000023355481 1127695984 /nfs/dbraw/zinc/69/59/84/1127695984.db2.gz UAENHNXHGBXXKT-ZDUSSCGKSA-N 1 2 330.378 3.547 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000023355481 1127695988 /nfs/dbraw/zinc/69/59/88/1127695988.db2.gz UAENHNXHGBXXKT-ZDUSSCGKSA-N 1 2 330.378 3.547 20 0 EHADLO CCc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)sc1C ZINC000024748144 1127710247 /nfs/dbraw/zinc/71/02/47/1127710247.db2.gz XYBKSWZYSTZWSR-UHFFFAOYSA-N 1 2 339.464 3.794 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc(N2CCOC2=O)c1 ZINC000921601675 1127759526 /nfs/dbraw/zinc/75/95/26/1127759526.db2.gz VAJWNTYKJMJVRB-CYBMUJFWSA-N 1 2 343.427 3.780 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccn(C)n1 ZINC000624289306 1127786753 /nfs/dbraw/zinc/78/67/53/1127786753.db2.gz IYBHHPMBQCAIEI-ZUZCIYMTSA-N 1 2 328.243 3.501 20 0 EHADLO C[C@H](OCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000030607652 1127822789 /nfs/dbraw/zinc/82/27/89/1127822789.db2.gz IUBLZCSVYHUANB-KRWDZBQOSA-N 1 2 349.434 3.770 20 0 EHADLO CCCc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000033597990 1127867491 /nfs/dbraw/zinc/86/74/91/1127867491.db2.gz XXHOOLDUZTVEEI-UHFFFAOYSA-N 1 2 341.436 3.626 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(C)s1 ZINC000338595069 1127875357 /nfs/dbraw/zinc/87/53/57/1127875357.db2.gz DKWVFQAJBPBASD-UHFFFAOYSA-N 1 2 339.468 3.505 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(C)s1 ZINC000338595069 1127875364 /nfs/dbraw/zinc/87/53/64/1127875364.db2.gz DKWVFQAJBPBASD-UHFFFAOYSA-N 1 2 339.468 3.505 20 0 EHADLO CCCN(CC1CC1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042399160 1127891630 /nfs/dbraw/zinc/89/16/30/1127891630.db2.gz NOIQNNYYBOLLBJ-UHFFFAOYSA-N 1 2 331.485 3.525 20 0 EHADLO O=C(NCCCn1ccc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523594 1127921965 /nfs/dbraw/zinc/92/19/65/1127921965.db2.gz XMKIARBHTSNSSS-UHFFFAOYSA-N 1 2 344.418 3.647 20 0 EHADLO Clc1ccc2cc(Nc3ccc[nH+]c3N3CCOCC3)cnc2c1 ZINC001212354115 1127925530 /nfs/dbraw/zinc/92/55/30/1127925530.db2.gz CSJKZHWIWUGEEH-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCS(=O)(=O)CC[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000172396666 1127935360 /nfs/dbraw/zinc/93/53/60/1127935360.db2.gz HQYCOCUYAXDQNF-LBPRGKRZSA-N 1 2 349.418 3.666 20 0 EHADLO CCS(=O)(=O)CC[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000172396666 1127935363 /nfs/dbraw/zinc/93/53/63/1127935363.db2.gz HQYCOCUYAXDQNF-LBPRGKRZSA-N 1 2 349.418 3.666 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438951 1127937020 /nfs/dbraw/zinc/93/70/20/1127937020.db2.gz DSTDSCWQNGUTTD-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438951 1127937023 /nfs/dbraw/zinc/93/70/23/1127937023.db2.gz DSTDSCWQNGUTTD-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000045491222 1127953761 /nfs/dbraw/zinc/95/37/61/1127953761.db2.gz MXCFTPNDEDXMJW-UHFFFAOYSA-N 1 2 330.476 3.546 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000045764991 1127959211 /nfs/dbraw/zinc/95/92/11/1127959211.db2.gz KYGHZGDYPDITFK-GOSISDBHSA-N 1 2 337.448 3.970 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045999828 1127966376 /nfs/dbraw/zinc/96/63/76/1127966376.db2.gz DILKRYLCSIILPX-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC=CCC2)C[C@@H](C)O1 ZINC000046341565 1127976028 /nfs/dbraw/zinc/97/60/28/1127976028.db2.gz GKUXWWZSJPGTQN-ZACQAIPSSA-N 1 2 328.456 3.591 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046343733 1127976125 /nfs/dbraw/zinc/97/61/25/1127976125.db2.gz GXNJEBVAJUKIOH-IRXDYDNUSA-N 1 2 338.451 3.857 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000046702991 1127988536 /nfs/dbraw/zinc/98/85/36/1127988536.db2.gz RNKSIWYDTSNWOP-UHFFFAOYSA-N 1 2 340.467 3.564 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000046702991 1127988539 /nfs/dbraw/zinc/98/85/39/1127988539.db2.gz RNKSIWYDTSNWOP-UHFFFAOYSA-N 1 2 340.467 3.564 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000047027371 1127998871 /nfs/dbraw/zinc/99/88/71/1127998871.db2.gz SICGLPZRSMGWNC-KBXCAEBGSA-N 1 2 344.434 3.641 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2csc(-c3ccc(C)o3)n2)ccn1 ZINC000347523080 1128035456 /nfs/dbraw/zinc/03/54/56/1128035456.db2.gz BGYOMTZHNGHNIT-LBPRGKRZSA-N 1 2 329.425 3.966 20 0 EHADLO O=C(C=C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193384 1128056734 /nfs/dbraw/zinc/05/67/34/1128056734.db2.gz FFEYTFYCULIDFR-KRWDZBQOSA-N 1 2 327.472 3.816 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000057813784 1128058107 /nfs/dbraw/zinc/05/81/07/1128058107.db2.gz YGBSFZVJVVGHRT-KRWDZBQOSA-N 1 2 348.368 3.834 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000057813784 1128058112 /nfs/dbraw/zinc/05/81/12/1128058112.db2.gz YGBSFZVJVVGHRT-KRWDZBQOSA-N 1 2 348.368 3.834 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058371337 1128067031 /nfs/dbraw/zinc/06/70/31/1128067031.db2.gz MYSAXQFJIVGCCY-UHFFFAOYSA-N 1 2 329.762 3.976 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+](C)CCOc3ccccc3)n2)cc1 ZINC000061759061 1128128875 /nfs/dbraw/zinc/12/88/75/1128128875.db2.gz GWMRBSVIBMRVRB-UHFFFAOYSA-N 1 2 337.423 3.810 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+](C)CCOc3ccccc3)n2)cc1 ZINC000061759061 1128128878 /nfs/dbraw/zinc/12/88/78/1128128878.db2.gz GWMRBSVIBMRVRB-UHFFFAOYSA-N 1 2 337.423 3.810 20 0 EHADLO CCCN(C)c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000063936896 1128160832 /nfs/dbraw/zinc/16/08/32/1128160832.db2.gz QICVXGGRYUAXAV-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000065544739 1128193588 /nfs/dbraw/zinc/19/35/88/1128193588.db2.gz NLCWURHOCQUHHX-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000065544739 1128193590 /nfs/dbraw/zinc/19/35/90/1128193590.db2.gz NLCWURHOCQUHHX-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000065602851 1128195312 /nfs/dbraw/zinc/19/53/12/1128195312.db2.gz DXEFTHIACKVWCB-IBGZPJMESA-N 1 2 328.456 3.923 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000065602851 1128195314 /nfs/dbraw/zinc/19/53/14/1128195314.db2.gz DXEFTHIACKVWCB-IBGZPJMESA-N 1 2 328.456 3.923 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccco2)on1 ZINC000065729492 1128199529 /nfs/dbraw/zinc/19/95/29/1128199529.db2.gz STOXTPXXJOZDFJ-UHFFFAOYSA-N 1 2 338.298 3.512 20 0 EHADLO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2[nH]c(=O)oc2c1 ZINC000671760531 1128244851 /nfs/dbraw/zinc/24/48/51/1128244851.db2.gz ZYJDEFZADBPADE-SDBXPKJASA-N 1 2 332.306 3.596 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC001687482809 1128341953 /nfs/dbraw/zinc/34/19/53/1128341953.db2.gz DPTQDLIRVSCFRJ-IAGOWNOFSA-N 1 2 347.528 3.883 20 0 EHADLO CCOc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000048144648 1128418402 /nfs/dbraw/zinc/41/84/02/1128418402.db2.gz MADYSPZDQQQXHL-KRWDZBQOSA-N 1 2 344.459 3.827 20 0 EHADLO Cc1cc(C(F)F)oc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000624552326 1128392693 /nfs/dbraw/zinc/39/26/93/1128392693.db2.gz CUJIELHJBUENKE-CMPLNLGQSA-N 1 2 339.342 3.501 20 0 EHADLO Cc1cc(C(F)F)oc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000624552326 1128392699 /nfs/dbraw/zinc/39/26/99/1128392699.db2.gz CUJIELHJBUENKE-CMPLNLGQSA-N 1 2 339.342 3.501 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000352687821 1128428027 /nfs/dbraw/zinc/42/80/27/1128428027.db2.gz SUTXGQXPYAUULK-UHFFFAOYSA-N 1 2 331.419 3.811 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000352687821 1128428029 /nfs/dbraw/zinc/42/80/29/1128428029.db2.gz SUTXGQXPYAUULK-UHFFFAOYSA-N 1 2 331.419 3.811 20 0 EHADLO CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921658999 1128439404 /nfs/dbraw/zinc/43/94/04/1128439404.db2.gz GUZVYMZUCXDZOT-IAGOWNOFSA-N 1 2 327.428 3.837 20 0 EHADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000085333138 1128447814 /nfs/dbraw/zinc/44/78/14/1128447814.db2.gz QPRVMTRNIRWLQC-QZTJIDSGSA-N 1 2 340.423 3.697 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000352886951 1128457670 /nfs/dbraw/zinc/45/76/70/1128457670.db2.gz XTGLVEUPMFWRFA-LJQANCHMSA-N 1 2 347.418 3.649 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000352886951 1128457672 /nfs/dbraw/zinc/45/76/72/1128457672.db2.gz XTGLVEUPMFWRFA-LJQANCHMSA-N 1 2 347.418 3.649 20 0 EHADLO COc1c(C)cccc1C[NH2+]Cc1cccc(O)c1Br ZINC000655833186 1128490190 /nfs/dbraw/zinc/49/01/90/1128490190.db2.gz MGJYUHKLYFEWSO-UHFFFAOYSA-N 1 2 336.229 3.762 20 0 EHADLO CCN(C(=O)C[NH2+][C@H](COCC(C)C)c1ccco1)c1ccccc1 ZINC000347636555 1128501974 /nfs/dbraw/zinc/50/19/74/1128501974.db2.gz MLAPBXGYVQIPEM-GOSISDBHSA-N 1 2 344.455 3.636 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347652155 1128517802 /nfs/dbraw/zinc/51/78/02/1128517802.db2.gz QJHUYNLJOYTRFC-HNNXBMFYSA-N 1 2 339.361 3.502 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000347652155 1128517806 /nfs/dbraw/zinc/51/78/06/1128517806.db2.gz QJHUYNLJOYTRFC-HNNXBMFYSA-N 1 2 339.361 3.502 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000369291745 1128521566 /nfs/dbraw/zinc/52/15/66/1128521566.db2.gz BEABIUVCOSWZLU-LPHOPBHVSA-N 1 2 339.483 3.882 20 0 EHADLO C[C@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)Cn1cc[nH+]c1 ZINC000153649014 1128555912 /nfs/dbraw/zinc/55/59/12/1128555912.db2.gz SKTXJZBJYVXOJX-MRXNPFEDSA-N 1 2 327.472 3.566 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(OC2CCCC2)c1 ZINC000056591934 1128567079 /nfs/dbraw/zinc/56/70/79/1128567079.db2.gz QFTUUQVIUAPLST-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO COc1cc(C)[nH+]c(CSCC(=O)N(C)C2CCC(C)CC2)c1 ZINC001116483546 1128568949 /nfs/dbraw/zinc/56/89/49/1128568949.db2.gz VFHZVCPAWYFHTC-UHFFFAOYSA-N 1 2 336.501 3.669 20 0 EHADLO O=C(CCOc1cccc(Cl)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866681 1128592788 /nfs/dbraw/zinc/59/27/88/1128592788.db2.gz FLHREBSUXAWGJE-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000056895537 1128594459 /nfs/dbraw/zinc/59/44/59/1128594459.db2.gz KXOVIPZCCPQTSM-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(OC4CCCC4)nc3)ccc2[nH+]1 ZINC000542836426 1128678387 /nfs/dbraw/zinc/67/83/87/1128678387.db2.gz BNELHXLOWSOIBQ-UHFFFAOYSA-N 1 2 336.395 3.611 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000921744686 1128719020 /nfs/dbraw/zinc/71/90/20/1128719020.db2.gz QCRQJJSIVSBJQF-UHFFFAOYSA-N 1 2 332.419 3.907 20 0 EHADLO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(Br)s1 ZINC000061800793 1128791805 /nfs/dbraw/zinc/79/18/05/1128791805.db2.gz KXIFJWTWMCEZRJ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@H+](Cc1cn2ccccc2n1)Cc1ccc(Br)s1 ZINC000061800793 1128791808 /nfs/dbraw/zinc/79/18/08/1128791808.db2.gz KXIFJWTWMCEZRJ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000672140949 1128792605 /nfs/dbraw/zinc/79/26/05/1128792605.db2.gz RLHIXQCDJDNEQK-AEFFLSMTSA-N 1 2 341.455 3.672 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000672147028 1128799327 /nfs/dbraw/zinc/79/93/27/1128799327.db2.gz XDJHHJVISUAVRB-GFCCVEGCSA-N 1 2 341.798 3.541 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ncnn2C)[C@H]2CCc3ccccc32)cc1 ZINC000172721826 1128855015 /nfs/dbraw/zinc/85/50/15/1128855015.db2.gz SHMHHLVXOYDXRX-FQEVSTJZSA-N 1 2 332.451 3.813 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ncnn2C)[C@H]2CCc3ccccc32)cc1 ZINC000172721826 1128855021 /nfs/dbraw/zinc/85/50/21/1128855021.db2.gz SHMHHLVXOYDXRX-FQEVSTJZSA-N 1 2 332.451 3.813 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)cs1 ZINC000111407163 1120019443 /nfs/dbraw/zinc/01/94/43/1120019443.db2.gz LUWFWPQSAKDRTD-RYUDHWBXSA-N 1 2 332.469 3.888 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(O)ccc3C)cn2c1 ZINC001648794094 1120037573 /nfs/dbraw/zinc/03/75/73/1120037573.db2.gz XPQRSYZINBXOBC-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001670532100 1120083214 /nfs/dbraw/zinc/08/32/14/1120083214.db2.gz OWBLMRSLWLULEO-GFCCVEGCSA-N 1 2 340.814 3.745 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000542941585 1128890620 /nfs/dbraw/zinc/89/06/20/1128890620.db2.gz AIUWXACDXCVIGL-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000542941585 1128890624 /nfs/dbraw/zinc/89/06/24/1128890624.db2.gz AIUWXACDXCVIGL-AWEZNQCLSA-N 1 2 342.464 3.630 20 0 EHADLO COc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)c(OC)c1 ZINC000123257951 1120183603 /nfs/dbraw/zinc/18/36/03/1120183603.db2.gz CAIWXUJJZABMMH-UHFFFAOYSA-N 1 2 327.428 3.701 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000185321328 1120408663 /nfs/dbraw/zinc/40/86/63/1120408663.db2.gz GOLOYYAPJPZMQX-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000185321328 1120408667 /nfs/dbraw/zinc/40/86/67/1120408667.db2.gz GOLOYYAPJPZMQX-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(F)cc1Cl)n2C ZINC000185832116 1120430776 /nfs/dbraw/zinc/43/07/76/1120430776.db2.gz ZGOPOHBOXKVRPQ-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000187352638 1120494911 /nfs/dbraw/zinc/49/49/11/1120494911.db2.gz MQYIUYLIGBLGPU-HOTGVXAUSA-N 1 2 341.398 3.619 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000187352638 1120494913 /nfs/dbraw/zinc/49/49/13/1120494913.db2.gz MQYIUYLIGBLGPU-HOTGVXAUSA-N 1 2 341.398 3.619 20 0 EHADLO COC(=O)CCC[N@H+](Cc1noc2c1CCCC2)Cc1ccccc1 ZINC000153205025 1120523821 /nfs/dbraw/zinc/52/38/21/1120523821.db2.gz DMPSPMQNGMSJTK-UHFFFAOYSA-N 1 2 342.439 3.509 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1noc2c1CCCC2)Cc1ccccc1 ZINC000153205025 1120523825 /nfs/dbraw/zinc/52/38/25/1120523825.db2.gz DMPSPMQNGMSJTK-UHFFFAOYSA-N 1 2 342.439 3.509 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000542482535 1120553156 /nfs/dbraw/zinc/55/31/56/1120553156.db2.gz VOLIPFRHZCGUSH-CQSZACIVSA-N 1 2 345.512 3.605 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccccc1 ZINC000190323312 1120633985 /nfs/dbraw/zinc/63/39/85/1120633985.db2.gz QORIOUHBYLSQBZ-SFHVURJKSA-N 1 2 343.377 3.628 20 0 EHADLO CCCn1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc2ccccc21 ZINC000190701310 1120647304 /nfs/dbraw/zinc/64/73/04/1120647304.db2.gz OZMFVWJEPKWHPU-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191193357 1120663801 /nfs/dbraw/zinc/66/38/01/1120663801.db2.gz NQLXKDATYXJMEX-UHFFFAOYSA-N 1 2 326.444 3.974 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191193357 1120663805 /nfs/dbraw/zinc/66/38/05/1120663805.db2.gz NQLXKDATYXJMEX-UHFFFAOYSA-N 1 2 326.444 3.974 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000494628621 1120706922 /nfs/dbraw/zinc/70/69/22/1120706922.db2.gz DBTHIJVHGSRXSP-ZDUSSCGKSA-N 1 2 349.843 3.583 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccccc1Cl ZINC000192247319 1120728026 /nfs/dbraw/zinc/72/80/26/1120728026.db2.gz IJOTWFNYKIYGDJ-UHFFFAOYSA-N 1 2 347.890 3.970 20 0 EHADLO CN(C)c1noc(C[NH2+][C@H](CC2CCCCC2)c2ccccc2)n1 ZINC000192781749 1120749006 /nfs/dbraw/zinc/74/90/06/1120749006.db2.gz PIFSUWXMDDFBGN-QGZVFWFLSA-N 1 2 328.460 3.937 20 0 EHADLO CC(C)Cc1ccc([C@H]([NH2+]Cc2nc(N(C)C)no2)C2CC2)cc1 ZINC000192787522 1120749204 /nfs/dbraw/zinc/74/92/04/1120749204.db2.gz MVUUPUMEMOGQNW-SFHVURJKSA-N 1 2 328.460 3.575 20 0 EHADLO Cc1noc(C[N@@H+](C)Cc2cccc3c(Br)cccc23)n1 ZINC000653889263 1120758178 /nfs/dbraw/zinc/75/81/78/1120758178.db2.gz XBCIMIJPXMKFRC-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1noc(C[N@H+](C)Cc2cccc3c(Br)cccc23)n1 ZINC000653889263 1120758181 /nfs/dbraw/zinc/75/81/81/1120758181.db2.gz XBCIMIJPXMKFRC-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000355911723 1128939358 /nfs/dbraw/zinc/93/93/58/1128939358.db2.gz MRLUDIJUUMLURB-KRWDZBQOSA-N 1 2 347.340 3.915 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000355911723 1128939360 /nfs/dbraw/zinc/93/93/60/1128939360.db2.gz MRLUDIJUUMLURB-KRWDZBQOSA-N 1 2 347.340 3.915 20 0 EHADLO CC[C@H]([NH2+]Cc1cccnc1OC)c1nc(C(F)(F)F)cs1 ZINC000193549950 1120783843 /nfs/dbraw/zinc/78/38/43/1120783843.db2.gz UTGUNVBUHJXBHA-JTQLQIEISA-N 1 2 331.363 3.806 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCCC[C@H]3C)cn2c1 ZINC000195668934 1120805847 /nfs/dbraw/zinc/80/58/47/1120805847.db2.gz CIYSVUASTJKYFM-CVEARBPZSA-N 1 2 345.512 3.818 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000194053678 1120819043 /nfs/dbraw/zinc/81/90/43/1120819043.db2.gz LYWGOJCSCAXXKG-QFBILLFUSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2ncsc2c1 ZINC000194387069 1120840242 /nfs/dbraw/zinc/84/02/42/1120840242.db2.gz MKYGRECKDQCIRU-UHFFFAOYSA-N 1 2 338.367 3.873 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)C(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000494824744 1120874598 /nfs/dbraw/zinc/87/45/98/1120874598.db2.gz UGXQYYOBIJODOX-KGLIPLIRSA-N 1 2 348.397 3.620 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000914532365 1120881473 /nfs/dbraw/zinc/88/14/73/1120881473.db2.gz GWSJBJSDHJTVAW-MRXNPFEDSA-N 1 2 337.533 3.934 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000914532390 1120881710 /nfs/dbraw/zinc/88/17/10/1120881710.db2.gz HKVKVBWXPWMXMX-MRXNPFEDSA-N 1 2 337.533 3.934 20 0 EHADLO O=C1O[C@@H](C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CN1c1ccccc1 ZINC000172788283 1128946936 /nfs/dbraw/zinc/94/69/36/1128946936.db2.gz VAQHNXIOXYFCDE-INIZCTEOSA-N 1 2 347.418 3.551 20 0 EHADLO O=C1O[C@@H](C[N@H+]2CCc3[nH]c4ccccc4c3C2)CN1c1ccccc1 ZINC000172788283 1128946938 /nfs/dbraw/zinc/94/69/38/1128946938.db2.gz VAQHNXIOXYFCDE-INIZCTEOSA-N 1 2 347.418 3.551 20 0 EHADLO Cc1ccc(SCC[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1C ZINC000494872855 1120889702 /nfs/dbraw/zinc/88/97/02/1120889702.db2.gz HWAFWAJJSAHHDP-OAHLLOKOSA-N 1 2 346.462 3.964 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000467546283 1120919943 /nfs/dbraw/zinc/91/99/43/1120919943.db2.gz MPEDZCZYKKTYJR-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000467546283 1120919946 /nfs/dbraw/zinc/91/99/46/1120919946.db2.gz MPEDZCZYKKTYJR-HNNXBMFYSA-N 1 2 334.261 3.910 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153279977 1120936126 /nfs/dbraw/zinc/93/61/26/1120936126.db2.gz KWGSTCPZONPMMO-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)ccc2=O)CC1 ZINC000153279977 1120936134 /nfs/dbraw/zinc/93/61/34/1120936134.db2.gz KWGSTCPZONPMMO-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO Clc1ccccc1CN1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495092922 1120951055 /nfs/dbraw/zinc/95/10/55/1120951055.db2.gz NCOJPVRLBRXLJM-ARJAWSKDSA-N 1 2 327.859 3.566 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCOC[C@H]3Cc3ccccc3)s2)c1 ZINC000495093057 1120951104 /nfs/dbraw/zinc/95/11/04/1120951104.db2.gz JONFXAGDGKWKFI-MRXNPFEDSA-N 1 2 340.448 3.847 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCOC[C@H]3Cc3ccccc3)s2)c1 ZINC000495093057 1120951106 /nfs/dbraw/zinc/95/11/06/1120951106.db2.gz JONFXAGDGKWKFI-MRXNPFEDSA-N 1 2 340.448 3.847 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153327975 1120964015 /nfs/dbraw/zinc/96/40/15/1120964015.db2.gz RKXDBUPDDLSMLW-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000153327975 1120964019 /nfs/dbraw/zinc/96/40/19/1120964019.db2.gz RKXDBUPDDLSMLW-OAHLLOKOSA-N 1 2 329.419 3.519 20 0 EHADLO Cc1ccc(C)c(N2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC001127322283 1121005560 /nfs/dbraw/zinc/00/55/60/1121005560.db2.gz GIMWIXJZIJRRBW-UHFFFAOYSA-N 1 2 337.467 3.586 20 0 EHADLO CCc1c2ccccc2oc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000451217073 1128956202 /nfs/dbraw/zinc/95/62/02/1128956202.db2.gz KMGBSDIVRXRLSI-AWEZNQCLSA-N 1 2 337.423 3.749 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915209081 1121253689 /nfs/dbraw/zinc/25/36/89/1121253689.db2.gz SDXACEWFGPMPES-AWEZNQCLSA-N 1 2 337.537 3.673 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915209081 1121253694 /nfs/dbraw/zinc/25/36/94/1121253694.db2.gz SDXACEWFGPMPES-AWEZNQCLSA-N 1 2 337.537 3.673 20 0 EHADLO CN(C)c1cc(CSc2nc(-c3ccc(F)cc3)c[nH]2)cc[nH+]1 ZINC000762467532 1121313912 /nfs/dbraw/zinc/31/39/12/1121313912.db2.gz MIONWJSQPAGLSS-UHFFFAOYSA-N 1 2 328.416 3.969 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cn1cnc(-c2ccccn2)n1 ZINC000762485820 1121324699 /nfs/dbraw/zinc/32/46/99/1121324699.db2.gz ADVOCQYJGFQWKH-UHFFFAOYSA-N 1 2 348.237 3.736 20 0 EHADLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cn1cnc(-c2ccccn2)n1 ZINC000762485820 1121324708 /nfs/dbraw/zinc/32/47/08/1121324708.db2.gz ADVOCQYJGFQWKH-UHFFFAOYSA-N 1 2 348.237 3.736 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000762499815 1121328324 /nfs/dbraw/zinc/32/83/24/1121328324.db2.gz APMWRRNGTZGJPH-QGZVFWFLSA-N 1 2 330.859 3.645 20 0 EHADLO O=C1C[C@@H](C2CC2)CN1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000762499815 1121328331 /nfs/dbraw/zinc/32/83/31/1121328331.db2.gz APMWRRNGTZGJPH-QGZVFWFLSA-N 1 2 330.859 3.645 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762563952 1121355467 /nfs/dbraw/zinc/35/54/67/1121355467.db2.gz YRXWOJOGBBMWKU-ROJDOSBLSA-N 1 2 349.434 3.841 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000356532500 1128980830 /nfs/dbraw/zinc/98/08/30/1128980830.db2.gz VGGPTGPNXMZFFE-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000356532500 1128980834 /nfs/dbraw/zinc/98/08/34/1128980834.db2.gz VGGPTGPNXMZFFE-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO O=C(c1cc(F)cc(Nc2cccn3cc[nH+]c23)c1)N1CCCCC1 ZINC001212204707 1121418120 /nfs/dbraw/zinc/41/81/20/1121418120.db2.gz LXNOTXKQEHKOSH-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO CCOC(=O)Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000236935661 1121469707 /nfs/dbraw/zinc/46/97/07/1121469707.db2.gz AOFVNQDULLZBFL-UHFFFAOYSA-N 1 2 340.427 3.731 20 0 EHADLO COc1cc(OC)c(NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000237339584 1121480591 /nfs/dbraw/zinc/48/05/91/1121480591.db2.gz HGGMHWJVYHWPFU-UHFFFAOYSA-N 1 2 347.846 3.833 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnc3n2CCCC3)o1 ZINC000265800915 1128991157 /nfs/dbraw/zinc/99/11/57/1128991157.db2.gz NXOADTOFQYGUKP-INIZCTEOSA-N 1 2 328.460 3.887 20 0 EHADLO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnc3n2CCCC3)o1 ZINC000265800915 1128991161 /nfs/dbraw/zinc/99/11/61/1128991161.db2.gz NXOADTOFQYGUKP-INIZCTEOSA-N 1 2 328.460 3.887 20 0 EHADLO Cc1ccc(/C=C\C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000053896717 1121725051 /nfs/dbraw/zinc/72/50/51/1121725051.db2.gz URQJPQDZYIKHKW-KHPPLWFESA-N 1 2 331.419 3.569 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000356753324 1129005492 /nfs/dbraw/zinc/00/54/92/1129005492.db2.gz GXPZPBKPKHRQLM-UHFFFAOYSA-N 1 2 349.221 3.652 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C ZINC000054224506 1121748904 /nfs/dbraw/zinc/74/89/04/1121748904.db2.gz CPTQCRXUVLAGGA-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225652 1121750097 /nfs/dbraw/zinc/75/00/97/1121750097.db2.gz INOJZAHGQGHMHY-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000054225006 1121750727 /nfs/dbraw/zinc/75/07/27/1121750727.db2.gz VSRDCUKMBHPOTO-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000055052420 1121793211 /nfs/dbraw/zinc/79/32/11/1121793211.db2.gz XDEYYNRPKKMASY-CQSZACIVSA-N 1 2 344.480 3.937 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000055052420 1121793217 /nfs/dbraw/zinc/79/32/17/1121793217.db2.gz XDEYYNRPKKMASY-CQSZACIVSA-N 1 2 344.480 3.937 20 0 EHADLO CCOc1ccccc1CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696722 1121858123 /nfs/dbraw/zinc/85/81/23/1121858123.db2.gz OAGATHQLUBBYMF-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000670271024 1121903858 /nfs/dbraw/zinc/90/38/58/1121903858.db2.gz FVRJSXWDWMNXIV-GFCCVEGCSA-N 1 2 349.805 3.569 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000670271024 1121903862 /nfs/dbraw/zinc/90/38/62/1121903862.db2.gz FVRJSXWDWMNXIV-GFCCVEGCSA-N 1 2 349.805 3.569 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCc1nc(C)cs1 ZINC000065227085 1129018952 /nfs/dbraw/zinc/01/89/52/1129018952.db2.gz OGGXBKANUAUQFQ-UHFFFAOYSA-N 1 2 341.436 3.831 20 0 EHADLO CN(C)c1ccc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000916418972 1122152110 /nfs/dbraw/zinc/15/21/10/1122152110.db2.gz PBICWMOXUXGFNI-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)C[NH+]3CCCC3)s2)cc1Cl ZINC000916970215 1122426054 /nfs/dbraw/zinc/42/60/54/1122426054.db2.gz MWMUBSXEXUGLJC-UHFFFAOYSA-N 1 2 349.887 3.730 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000127127423 1122464017 /nfs/dbraw/zinc/46/40/17/1122464017.db2.gz HVOQBOYWJAHYBN-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000127127423 1122464018 /nfs/dbraw/zinc/46/40/18/1122464018.db2.gz HVOQBOYWJAHYBN-QZTJIDSGSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1ncsc1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000066565920 1122474874 /nfs/dbraw/zinc/47/48/74/1122474874.db2.gz WQXUMSYQKDZRCJ-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ncsc1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000066565920 1122474876 /nfs/dbraw/zinc/47/48/76/1122474876.db2.gz WQXUMSYQKDZRCJ-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO FC(F)(F)c1nc2ccccc2c(NCCCNc2cccc[nH+]2)n1 ZINC000917079975 1122483135 /nfs/dbraw/zinc/48/31/35/1122483135.db2.gz JRGGFABZVPAXJO-UHFFFAOYSA-N 1 2 347.344 3.958 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127445676 1122485266 /nfs/dbraw/zinc/48/52/66/1122485266.db2.gz WDJVFGRGUAOYFP-MJGOQNOKSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127445676 1122485270 /nfs/dbraw/zinc/48/52/70/1122485270.db2.gz WDJVFGRGUAOYFP-MJGOQNOKSA-N 1 2 336.426 3.797 20 0 EHADLO O=C(Nc1cccc2ccccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127533577 1122491789 /nfs/dbraw/zinc/49/17/89/1122491789.db2.gz HAGQTGHKKFCDFS-KRWDZBQOSA-N 1 2 333.391 3.920 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000067127093 1122501540 /nfs/dbraw/zinc/50/15/40/1122501540.db2.gz KSOBPRHZFFKIAA-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000067127093 1122501544 /nfs/dbraw/zinc/50/15/44/1122501544.db2.gz KSOBPRHZFFKIAA-CYBMUJFWSA-N 1 2 325.387 3.645 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645334 1122525644 /nfs/dbraw/zinc/52/56/44/1122525644.db2.gz XWHSXRTUYFJOKB-UHFFFAOYSA-N 1 2 344.434 3.733 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000128278719 1122549560 /nfs/dbraw/zinc/54/95/60/1122549560.db2.gz QWRCCNUDOVGJID-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO CC[N@H+](Cc1cccc(OC)n1)Cc1ccccc1Br ZINC000497467550 1122557800 /nfs/dbraw/zinc/55/78/00/1122557800.db2.gz OUXFQUVAJSGCIY-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO CC[N@@H+](Cc1cccc(OC)n1)Cc1ccccc1Br ZINC000497467550 1122557804 /nfs/dbraw/zinc/55/78/04/1122557804.db2.gz OUXFQUVAJSGCIY-UHFFFAOYSA-N 1 2 335.245 3.875 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000917416974 1122601820 /nfs/dbraw/zinc/60/18/20/1122601820.db2.gz SSQCHKUTHFHSMI-GOSISDBHSA-N 1 2 344.842 3.582 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000917416974 1122601823 /nfs/dbraw/zinc/60/18/23/1122601823.db2.gz SSQCHKUTHFHSMI-GOSISDBHSA-N 1 2 344.842 3.582 20 0 EHADLO CC(C)[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000917461989 1122608020 /nfs/dbraw/zinc/60/80/20/1122608020.db2.gz BLLGDVFIONXUHC-UHFFFAOYSA-N 1 2 348.874 3.827 20 0 EHADLO CC(C)[N@H+](Cc1cccc(Cl)c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000917461989 1122608022 /nfs/dbraw/zinc/60/80/22/1122608022.db2.gz BLLGDVFIONXUHC-UHFFFAOYSA-N 1 2 348.874 3.827 20 0 EHADLO C[C@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000128526389 1122616449 /nfs/dbraw/zinc/61/64/49/1122616449.db2.gz QORTWGDYHSMBHR-CDVVCGDMSA-N 1 2 332.407 3.500 20 0 EHADLO c1c(CNc2[nH+]c3ccccc3n2C2CC2)nnn1-c1ccccc1 ZINC000763424077 1122678670 /nfs/dbraw/zinc/67/86/70/1122678670.db2.gz BZQYJAYKEYDJQP-UHFFFAOYSA-N 1 2 330.395 3.564 20 0 EHADLO S=C(NCCCCn1cc[nH+]c1)Nc1ccc(Cl)c(Cl)c1 ZINC000918165475 1122769885 /nfs/dbraw/zinc/76/98/85/1122769885.db2.gz DZYDOYNISSYPSP-UHFFFAOYSA-N 1 2 343.283 3.957 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)NCCCNc1cccc[nH+]1 ZINC000498234445 1122807737 /nfs/dbraw/zinc/80/77/37/1122807737.db2.gz HUAYSBJKNVWDPN-UHFFFAOYSA-N 1 2 343.427 3.976 20 0 EHADLO COCc1cccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923838346 1122873679 /nfs/dbraw/zinc/87/36/79/1122873679.db2.gz DLRXEGNNIHMELX-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO Cc1cc(NC(=O)CSCc2cc(-c3cccs3)on2)cc[nH+]1 ZINC000130063999 1122876918 /nfs/dbraw/zinc/87/69/18/1122876918.db2.gz USHVTVBSYAQNFB-UHFFFAOYSA-N 1 2 345.449 3.978 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127450811 1122934459 /nfs/dbraw/zinc/93/44/59/1122934459.db2.gz JGAFKMZNXVQQAF-QGZVFWFLSA-N 1 2 325.456 3.972 20 0 EHADLO COc1ccc(/C(C)=C\C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127451685 1122937660 /nfs/dbraw/zinc/93/76/60/1122937660.db2.gz CZECKVGXJWCDCJ-SEYXRHQNSA-N 1 2 325.412 3.507 20 0 EHADLO CCCCCC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000498650751 1123004191 /nfs/dbraw/zinc/00/41/91/1123004191.db2.gz AAGVQKDVNYHRNT-UHFFFAOYSA-N 1 2 332.492 3.574 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(CC(F)(F)F)CC2)CCN1c1ccccc1F ZINC000556506905 1123004628 /nfs/dbraw/zinc/00/46/28/1123004628.db2.gz XSKDZBTWJZVDBT-HNNXBMFYSA-N 1 2 344.352 3.595 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)c1 ZINC000010226455 1123103092 /nfs/dbraw/zinc/10/30/92/1123103092.db2.gz YMUFOJKFIGNMPX-LJQANCHMSA-N 1 2 342.414 3.918 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)c1 ZINC000010226455 1123103095 /nfs/dbraw/zinc/10/30/95/1123103095.db2.gz YMUFOJKFIGNMPX-LJQANCHMSA-N 1 2 342.414 3.918 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000556824935 1123136779 /nfs/dbraw/zinc/13/67/79/1123136779.db2.gz CGKOZVWMEUPTBH-IBGZPJMESA-N 1 2 345.450 3.948 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000556824935 1123136781 /nfs/dbraw/zinc/13/67/81/1123136781.db2.gz CGKOZVWMEUPTBH-IBGZPJMESA-N 1 2 345.450 3.948 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+](C)[C@H](C)c3cc(F)ccc3F)cnc2n1 ZINC000131573472 1123141419 /nfs/dbraw/zinc/14/14/19/1123141419.db2.gz PJPQLNKQVNBDQG-CYBMUJFWSA-N 1 2 330.382 3.817 20 0 EHADLO Cc1cc(C)n2c(C[N@H+](C)[C@H](C)c3cc(F)ccc3F)cnc2n1 ZINC000131573472 1123141422 /nfs/dbraw/zinc/14/14/22/1123141422.db2.gz PJPQLNKQVNBDQG-CYBMUJFWSA-N 1 2 330.382 3.817 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)c2cccc(OC)c2)n1 ZINC000919757555 1123142774 /nfs/dbraw/zinc/14/27/74/1123142774.db2.gz WHEDJVGQFWFJFG-CYBMUJFWSA-N 1 2 347.484 3.736 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072801947 1123160762 /nfs/dbraw/zinc/16/07/62/1123160762.db2.gz SZTZSCZEDZCOOE-UHFFFAOYSA-N 1 2 334.769 3.861 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(Cl)c(Cl)[nH]2)n1 ZINC000919852810 1123178451 /nfs/dbraw/zinc/17/84/51/1123178451.db2.gz SNBHFSWWMMJCNR-UHFFFAOYSA-N 1 2 347.271 3.872 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CCC(C)(C)c3ccccc3)sc2C1 ZINC000132200695 1123209100 /nfs/dbraw/zinc/20/91/00/1123209100.db2.gz ZCNSPQPFCVGJAQ-UHFFFAOYSA-N 1 2 343.496 3.828 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CCC(C)(C)c3ccccc3)sc2C1 ZINC000132200695 1123209103 /nfs/dbraw/zinc/20/91/03/1123209103.db2.gz ZCNSPQPFCVGJAQ-UHFFFAOYSA-N 1 2 343.496 3.828 20 0 EHADLO CCC(CC)(CC)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000073594491 1123210977 /nfs/dbraw/zinc/21/09/77/1123210977.db2.gz ULTIQKYGTLRUKE-UHFFFAOYSA-N 1 2 342.487 3.742 20 0 EHADLO CCC(CC)(CC)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000073590171 1123211274 /nfs/dbraw/zinc/21/12/74/1123211274.db2.gz BFFYWYWCDWIXNU-UHFFFAOYSA-N 1 2 332.492 3.840 20 0 EHADLO CC(C)C[C@H](c1nc(CO[C@@H]2CCCC[C@H]2C)no1)n1cc[nH+]c1 ZINC000923869869 1123259440 /nfs/dbraw/zinc/25/94/40/1123259440.db2.gz BMMKUNIGVJSBTO-BZUAXINKSA-N 1 2 332.448 3.997 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1Cl ZINC000557022800 1123268126 /nfs/dbraw/zinc/26/81/26/1123268126.db2.gz OCUMELWHPADINY-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1Cl ZINC000557022800 1123268129 /nfs/dbraw/zinc/26/81/29/1123268129.db2.gz OCUMELWHPADINY-AWEZNQCLSA-N 1 2 332.806 3.907 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000920059709 1123273043 /nfs/dbraw/zinc/27/30/43/1123273043.db2.gz NZHFTUKQIRVWLN-IRXDYDNUSA-N 1 2 334.508 3.815 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nccs1 ZINC000075825720 1123428137 /nfs/dbraw/zinc/42/81/37/1123428137.db2.gz PJDMKNWIKZVMBB-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1C ZINC000075832262 1123428962 /nfs/dbraw/zinc/42/89/62/1123428962.db2.gz NNDDFHPWBUCWBK-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1C ZINC000075832262 1123428966 /nfs/dbraw/zinc/42/89/66/1123428966.db2.gz NNDDFHPWBUCWBK-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO O=C(CCn1ccc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921204135 1123478436 /nfs/dbraw/zinc/47/84/36/1123478436.db2.gz KHSGIZUXRMEUMC-UHFFFAOYSA-N 1 2 344.418 3.534 20 0 EHADLO CCn1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000921207611 1123483282 /nfs/dbraw/zinc/48/32/82/1123483282.db2.gz HBKGDOXICPPIIK-UHFFFAOYSA-N 1 2 344.418 3.777 20 0 EHADLO CC(C)C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccs1 ZINC000134020348 1123484695 /nfs/dbraw/zinc/48/46/95/1123484695.db2.gz YKSFXQWFOSBHPS-OAHLLOKOSA-N 1 2 334.489 3.764 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076466270 1123495133 /nfs/dbraw/zinc/49/51/33/1123495133.db2.gz WHINLVPFESXYNZ-FQEVSTJZSA-N 1 2 331.419 3.623 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3cccc4cccnc43)[nH+]c12 ZINC000134650685 1123540610 /nfs/dbraw/zinc/54/06/10/1123540610.db2.gz RCMHAWNGJFORJG-DEOSSOPVSA-N 1 2 335.432 3.640 20 0 EHADLO O=c1oc2ccccc2n1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000064433264 1123611299 /nfs/dbraw/zinc/61/12/99/1123611299.db2.gz NWDPEBCPPRLEQK-UHFFFAOYSA-N 1 2 326.371 3.750 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609554360 1123613153 /nfs/dbraw/zinc/61/31/53/1123613153.db2.gz DZPYEZUUESWKNF-KRWDZBQOSA-N 1 2 344.484 3.658 20 0 EHADLO O=S(=O)(CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000079888267 1123729538 /nfs/dbraw/zinc/72/95/38/1123729538.db2.gz OGCMSYXAHLDVTA-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO O=S(=O)(CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000079888267 1123729541 /nfs/dbraw/zinc/72/95/41/1123729541.db2.gz OGCMSYXAHLDVTA-LJQANCHMSA-N 1 2 347.455 3.827 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000282331102 1129143558 /nfs/dbraw/zinc/14/35/58/1129143558.db2.gz ODRYUHPPAOUHHF-MRXNPFEDSA-N 1 2 347.462 3.708 20 0 EHADLO CCOc1nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(=S)s1 ZINC000067873407 1123765752 /nfs/dbraw/zinc/76/57/52/1123765752.db2.gz URGWJAUIKGKNMY-AWEZNQCLSA-N 1 2 335.498 3.737 20 0 EHADLO CCOc1nn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(=S)s1 ZINC000067873407 1123765756 /nfs/dbraw/zinc/76/57/56/1123765756.db2.gz URGWJAUIKGKNMY-AWEZNQCLSA-N 1 2 335.498 3.737 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1CCc2ccccc21 ZINC000615336468 1123783222 /nfs/dbraw/zinc/78/32/22/1123783222.db2.gz XPDVTUCDHYCGDG-QWHCGFSZSA-N 1 2 330.378 3.593 20 0 EHADLO O=C(/C=C/Sc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000179581581 1123799156 /nfs/dbraw/zinc/79/91/56/1123799156.db2.gz GYXZZKWSKDJNBX-JLHYYAGUSA-N 1 2 335.432 3.795 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245435011 1123825846 /nfs/dbraw/zinc/82/58/46/1123825846.db2.gz QEABEUFVRZERNX-VFVRVIDISA-N 1 2 330.378 3.985 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245435011 1123825851 /nfs/dbraw/zinc/82/58/51/1123825851.db2.gz QEABEUFVRZERNX-VFVRVIDISA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245435009 1123826316 /nfs/dbraw/zinc/82/63/16/1123826316.db2.gz QEABEUFVRZERNX-FHSNZYRGSA-N 1 2 330.378 3.985 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245435009 1123826317 /nfs/dbraw/zinc/82/63/17/1123826317.db2.gz QEABEUFVRZERNX-FHSNZYRGSA-N 1 2 330.378 3.985 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690942 1123926509 /nfs/dbraw/zinc/92/65/09/1123926509.db2.gz OUSBZLQJJYBQCZ-PKOBYXMFSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245690942 1123926511 /nfs/dbraw/zinc/92/65/11/1123926511.db2.gz OUSBZLQJJYBQCZ-PKOBYXMFSA-N 1 2 336.426 3.797 20 0 EHADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328148 1123982304 /nfs/dbraw/zinc/98/23/04/1123982304.db2.gz HECCHLUEODFRAQ-QRVBRYPASA-N 1 2 337.467 3.630 20 0 EHADLO Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)Cc1c[nH+]cn1C ZINC000616331793 1123984751 /nfs/dbraw/zinc/98/47/51/1123984751.db2.gz QXLSENCTJNCXKA-UHFFFAOYSA-N 1 2 338.238 3.557 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246086107 1124015813 /nfs/dbraw/zinc/01/58/13/1124015813.db2.gz CFALUZQIHOXRPM-HOCLYGCPSA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246086107 1124015816 /nfs/dbraw/zinc/01/58/16/1124015816.db2.gz CFALUZQIHOXRPM-HOCLYGCPSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1ccc2ccnc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)c2c1 ZINC000616817203 1124040205 /nfs/dbraw/zinc/04/02/05/1124040205.db2.gz BFHYLHBGQOXRMW-LJQANCHMSA-N 1 2 346.434 3.541 20 0 EHADLO Cc1ccc2ccnc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)c2c1 ZINC000616817203 1124040207 /nfs/dbraw/zinc/04/02/07/1124040207.db2.gz BFHYLHBGQOXRMW-LJQANCHMSA-N 1 2 346.434 3.541 20 0 EHADLO Cc1cc[nH+]c(NNC(=O)[C@H](C)Sc2nc3ccccc3s2)c1 ZINC000180703096 1124050469 /nfs/dbraw/zinc/05/04/69/1124050469.db2.gz HHHASALMYIODGP-NSHDSACASA-N 1 2 344.465 3.624 20 0 EHADLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180777363 1124071165 /nfs/dbraw/zinc/07/11/65/1124071165.db2.gz BUWYRBKPVBSJFX-ZDUSSCGKSA-N 1 2 325.836 3.601 20 0 EHADLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180777363 1124071169 /nfs/dbraw/zinc/07/11/69/1124071169.db2.gz BUWYRBKPVBSJFX-ZDUSSCGKSA-N 1 2 325.836 3.601 20 0 EHADLO CC(C)CC[N@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000068961069 1124077579 /nfs/dbraw/zinc/07/75/79/1124077579.db2.gz KDIOVZFFMWMCSF-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO CC(C)CC[N@@H+](C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000068961069 1124077583 /nfs/dbraw/zinc/07/75/83/1124077583.db2.gz KDIOVZFFMWMCSF-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO CC(C)CC[N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000068961071 1124078016 /nfs/dbraw/zinc/07/80/16/1124078016.db2.gz OSKREFKTPIKMKB-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO CC(C)CC[N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000068961071 1124078020 /nfs/dbraw/zinc/07/80/20/1124078020.db2.gz OSKREFKTPIKMKB-UHFFFAOYSA-N 1 2 331.489 3.746 20 0 EHADLO CCc1cnc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551426370 1124081678 /nfs/dbraw/zinc/08/16/78/1124081678.db2.gz WACLFSSFZMUDGH-OAHLLOKOSA-N 1 2 336.233 3.635 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC)n1 ZINC000246799726 1124551349 /nfs/dbraw/zinc/55/13/49/1124551349.db2.gz MSZLBUDNFKWMQV-GOEBONIOSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)C[C@H](O)CC)n1 ZINC000246799726 1124551359 /nfs/dbraw/zinc/55/13/59/1124551359.db2.gz MSZLBUDNFKWMQV-GOEBONIOSA-N 1 2 349.500 3.657 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246987837 1124574834 /nfs/dbraw/zinc/57/48/34/1124574834.db2.gz TXENICZFCBYFKF-UVBJJODRSA-N 1 2 341.858 3.664 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246987837 1124574840 /nfs/dbraw/zinc/57/48/40/1124574840.db2.gz TXENICZFCBYFKF-UVBJJODRSA-N 1 2 341.858 3.664 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cs1 ZINC000247218861 1124595792 /nfs/dbraw/zinc/59/57/92/1124595792.db2.gz BMWQELDOCOLKSF-KKUMJFAQSA-N 1 2 345.512 3.665 20 0 EHADLO CC(C)[C@H](C)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247671874 1124621807 /nfs/dbraw/zinc/62/18/07/1124621807.db2.gz ZPBGLNDARUEEBR-LZQZEXGQSA-N 1 2 340.471 3.703 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248183706 1124645149 /nfs/dbraw/zinc/64/51/49/1124645149.db2.gz WXPABAAZZXNWRA-CABZTGNLSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248183706 1124645154 /nfs/dbraw/zinc/64/51/54/1124645154.db2.gz WXPABAAZZXNWRA-CABZTGNLSA-N 1 2 338.167 3.509 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248478801 1124667758 /nfs/dbraw/zinc/66/77/58/1124667758.db2.gz PZINEDHABWRSQC-QZTJIDSGSA-N 1 2 334.410 3.717 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248478801 1124667759 /nfs/dbraw/zinc/66/77/59/1124667759.db2.gz PZINEDHABWRSQC-QZTJIDSGSA-N 1 2 334.410 3.717 20 0 EHADLO COc1ccc(F)c(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000088226817 1124758578 /nfs/dbraw/zinc/75/85/78/1124758578.db2.gz JNIGDAADYDSSCP-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000089508976 1124817983 /nfs/dbraw/zinc/81/79/83/1124817983.db2.gz DSGBHSGNKPCUAO-ZDUSSCGKSA-N 1 2 330.403 3.686 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC4(CCCC4)[C@H]3c3ccco3)[nH+]c12 ZINC000617916064 1124833592 /nfs/dbraw/zinc/83/35/92/1124833592.db2.gz DYUHPFIAMLXJKP-LJQANCHMSA-N 1 2 349.434 3.922 20 0 EHADLO COc1cccc2c1CC[N@H+](CN1c3cccc4cccc(c34)C1=O)C2 ZINC000181446711 1124846372 /nfs/dbraw/zinc/84/63/72/1124846372.db2.gz AQGDSZVWBPLVFH-UHFFFAOYSA-N 1 2 344.414 3.824 20 0 EHADLO COc1cccc2c1CC[N@@H+](CN1c3cccc4cccc(c34)C1=O)C2 ZINC000181446711 1124846375 /nfs/dbraw/zinc/84/63/75/1124846375.db2.gz AQGDSZVWBPLVFH-UHFFFAOYSA-N 1 2 344.414 3.824 20 0 EHADLO Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000618089671 1124970601 /nfs/dbraw/zinc/97/06/01/1124970601.db2.gz OKEPCZFPOPZAAH-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2occc2Br)cn1 ZINC000735321534 1131331693 /nfs/dbraw/zinc/33/16/93/1131331693.db2.gz UYDCZJLXKZKWPX-UHFFFAOYSA-N 1 2 325.206 3.516 20 0 EHADLO C[NH+](C)[C@H](C(=O)OCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000181983505 1125109210 /nfs/dbraw/zinc/10/92/10/1125109210.db2.gz FANALMUDFSVGDN-INIZCTEOSA-N 1 2 335.350 3.634 20 0 EHADLO OC[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413304723 1125345822 /nfs/dbraw/zinc/34/58/22/1125345822.db2.gz YIUCBSRZBRNPLO-LBPRGKRZSA-N 1 2 335.245 3.596 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000182793920 1125371351 /nfs/dbraw/zinc/37/13/51/1125371351.db2.gz GCSIBPMDKPXLMM-GOSISDBHSA-N 1 2 347.462 3.769 20 0 EHADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000182793920 1125371353 /nfs/dbraw/zinc/37/13/53/1125371353.db2.gz GCSIBPMDKPXLMM-GOSISDBHSA-N 1 2 347.462 3.769 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000619705612 1125385091 /nfs/dbraw/zinc/38/50/91/1125385091.db2.gz VBPVVCZEEKWIJU-RDBSUJKOSA-N 1 2 338.521 3.931 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000619705612 1125385093 /nfs/dbraw/zinc/38/50/93/1125385093.db2.gz VBPVVCZEEKWIJU-RDBSUJKOSA-N 1 2 338.521 3.931 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC(C1CCCC1)C1CCCC1 ZINC000735510828 1131352096 /nfs/dbraw/zinc/35/20/96/1131352096.db2.gz POPWDGFORSSCQU-UHFFFAOYSA-N 1 2 332.492 3.712 20 0 EHADLO c1coc(C[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]2CCCO2)c1 ZINC000619729049 1125394130 /nfs/dbraw/zinc/39/41/30/1125394130.db2.gz GKTKJBLJMQBQIA-HXUWFJFHSA-N 1 2 349.434 3.918 20 0 EHADLO c1coc(C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]2CCCO2)c1 ZINC000619729049 1125394133 /nfs/dbraw/zinc/39/41/33/1125394133.db2.gz GKTKJBLJMQBQIA-HXUWFJFHSA-N 1 2 349.434 3.918 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495300 1131353464 /nfs/dbraw/zinc/35/34/64/1131353464.db2.gz UNWKZAQSHGVZEY-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO c1nn(-c2ccccc2)nc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495300 1131353470 /nfs/dbraw/zinc/35/34/70/1131353470.db2.gz UNWKZAQSHGVZEY-IBGZPJMESA-N 1 2 336.464 3.557 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)NCCCCNc1cccc[nH+]1 ZINC000153082842 1125431857 /nfs/dbraw/zinc/43/18/57/1125431857.db2.gz HJWQCMPTGJURBY-HNNXBMFYSA-N 1 2 345.874 3.922 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCC(F)CC1 ZINC000619955195 1125435868 /nfs/dbraw/zinc/43/58/68/1125435868.db2.gz GHRSTKZMSLGWOT-MXWWQKGMSA-N 1 2 329.419 3.578 20 0 EHADLO Brc1ccc(/C=C/C[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000453318277 1129198987 /nfs/dbraw/zinc/19/89/87/1129198987.db2.gz LHTHJPATHOETNM-XYBNCVKDSA-N 1 2 332.245 3.853 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682518252 1129222182 /nfs/dbraw/zinc/22/21/82/1129222182.db2.gz JBZRXSOVTHYRPL-MOPGFXCFSA-N 1 2 337.467 3.933 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cc(-n2ccnc2)cs1 ZINC000543144230 1129281878 /nfs/dbraw/zinc/28/18/78/1129281878.db2.gz VKYRGVKZKSVVNJ-UHFFFAOYSA-N 1 2 337.452 3.728 20 0 EHADLO CCc1nsc(N2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)n1 ZINC000543206271 1129340337 /nfs/dbraw/zinc/34/03/37/1129340337.db2.gz QOMBBSUILXWQAL-HNNXBMFYSA-N 1 2 348.903 3.563 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000358038496 1129351320 /nfs/dbraw/zinc/35/13/20/1129351320.db2.gz VNYNKTLXAAVSOA-ZDUSSCGKSA-N 1 2 325.334 3.902 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000358038496 1129351321 /nfs/dbraw/zinc/35/13/21/1129351321.db2.gz VNYNKTLXAAVSOA-ZDUSSCGKSA-N 1 2 325.334 3.902 20 0 EHADLO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000080775357 1129379988 /nfs/dbraw/zinc/37/99/88/1129379988.db2.gz UMJNNWAGOREJIG-MOPGFXCFSA-N 1 2 325.456 3.766 20 0 EHADLO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1ncnn1-c1ccccc1 ZINC000359015526 1129433696 /nfs/dbraw/zinc/43/36/96/1129433696.db2.gz ONQHGPCHQCUKRY-INIZCTEOSA-N 1 2 340.427 3.733 20 0 EHADLO CCCC[C@@H](CC)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471596 1129445233 /nfs/dbraw/zinc/44/52/33/1129445233.db2.gz CIIKRIRTCTYOOX-MRXNPFEDSA-N 1 2 337.533 3.824 20 0 EHADLO COc1ccc(F)c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2C)c1 ZINC000543427049 1129481773 /nfs/dbraw/zinc/48/17/73/1129481773.db2.gz CEBKUGSBUPZYFV-FQEVSTJZSA-N 1 2 344.430 3.628 20 0 EHADLO Cc1cc(C)c(C(=O)CCCC(=O)OCc2ccc[nH+]c2N)c(C)c1 ZINC000922366995 1129503951 /nfs/dbraw/zinc/50/39/51/1129503951.db2.gz SBXAJRVFHTXYRI-UHFFFAOYSA-N 1 2 340.423 3.685 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1OC1CCC1 ZINC000118494956 1129511039 /nfs/dbraw/zinc/51/10/39/1129511039.db2.gz DOXQERHBXSYXMW-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO CCN(C(=O)C[NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC000922473555 1129544868 /nfs/dbraw/zinc/54/48/68/1129544868.db2.gz FQPWUSUMJMSPKU-UHFFFAOYSA-N 1 2 338.238 3.531 20 0 EHADLO Oc1cc(C[NH2+]Cc2nc3c(s2)CCC3)cc(C(F)(F)F)c1 ZINC000922473152 1129545032 /nfs/dbraw/zinc/54/50/32/1129545032.db2.gz QUGQGUOMWJUGQX-UHFFFAOYSA-N 1 2 328.359 3.646 20 0 EHADLO CC(C)(C)C(C)(C)CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922597314 1129591191 /nfs/dbraw/zinc/59/11/91/1129591191.db2.gz OFLSSHHMKPNAID-UHFFFAOYSA-N 1 2 332.492 3.740 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+](C)CCc1ccccc1O ZINC000508964796 1129593884 /nfs/dbraw/zinc/59/38/84/1129593884.db2.gz PXOYNRFLVNVXFN-UHFFFAOYSA-N 1 2 333.815 3.507 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)CCc1ccccc1O ZINC000508964796 1129593885 /nfs/dbraw/zinc/59/38/85/1129593885.db2.gz PXOYNRFLVNVXFN-UHFFFAOYSA-N 1 2 333.815 3.507 20 0 EHADLO Nc1[nH+]cccc1COC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000922615068 1129595520 /nfs/dbraw/zinc/59/55/20/1129595520.db2.gz JLRDBUDRKNATPE-UHFFFAOYSA-N 1 2 338.329 3.749 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@@H]2CSCc3ccccc32)nn1 ZINC000673600799 1129607724 /nfs/dbraw/zinc/60/77/24/1129607724.db2.gz RZSGAMAUAFCODT-GOSISDBHSA-N 1 2 336.464 3.653 20 0 EHADLO Clc1nc2ccccn2c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922701031 1129631907 /nfs/dbraw/zinc/63/19/07/1129631907.db2.gz ZSVBUPICBDLLCT-UHFFFAOYSA-N 1 2 332.860 3.613 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428977462 1129658196 /nfs/dbraw/zinc/65/81/96/1129658196.db2.gz NFPYRLJLWBFMON-IAGOWNOFSA-N 1 2 346.519 3.966 20 0 EHADLO Cn1c[nH+]cc1CN=c1[nH]c2cc(-c3ccccc3)cc(Cl)c2o1 ZINC000347744218 1129675250 /nfs/dbraw/zinc/67/52/50/1129675250.db2.gz MGJDZHFJZLRUNC-UHFFFAOYSA-N 1 2 338.798 3.916 20 0 EHADLO C[C@@H](NC(=O)c1ccccc1NCc1c[nH+]cn1C)c1ccccc1 ZINC000347758238 1129693866 /nfs/dbraw/zinc/69/38/66/1129693866.db2.gz WSYLPVPJAPYZMF-OAHLLOKOSA-N 1 2 334.423 3.523 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000347765735 1129700791 /nfs/dbraw/zinc/70/07/91/1129700791.db2.gz RMSFPXJXDGBAEP-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282408948 1129716633 /nfs/dbraw/zinc/71/66/33/1129716633.db2.gz SLZJAXBATLDEFH-CQSZACIVSA-N 1 2 329.469 3.609 20 0 EHADLO Fc1ccccc1-c1nc(C[NH+]2CCN(c3ccccc3)CC2)co1 ZINC000625050152 1129718127 /nfs/dbraw/zinc/71/81/27/1129718127.db2.gz MEZGMVXNQXXDEK-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO Cc1nccn1CCC[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625267402 1129792763 /nfs/dbraw/zinc/79/27/63/1129792763.db2.gz VDYXAYZQXVEDHH-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO Cc1nccn1CCC[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625267402 1129792766 /nfs/dbraw/zinc/79/27/66/1129792766.db2.gz VDYXAYZQXVEDHH-UHFFFAOYSA-N 1 2 328.391 3.508 20 0 EHADLO O=C(CC(C1CCC1)C1CCC1)NCCCCNc1cccc[nH+]1 ZINC000625276598 1129798320 /nfs/dbraw/zinc/79/83/20/1129798320.db2.gz OEBWAWUIIULLPC-UHFFFAOYSA-N 1 2 329.488 3.996 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccncc1Br ZINC000625276679 1129799192 /nfs/dbraw/zinc/79/91/92/1129799192.db2.gz VPAZVYWCFBXPMJ-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccncc1Br ZINC000625276679 1129799193 /nfs/dbraw/zinc/79/91/93/1129799193.db2.gz VPAZVYWCFBXPMJ-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1OC(F)F ZINC000282434536 1129809311 /nfs/dbraw/zinc/80/93/11/1129809311.db2.gz ZCGDXAGJHCOGGE-LBPRGKRZSA-N 1 2 339.386 3.579 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673725378 1129811412 /nfs/dbraw/zinc/81/14/12/1129811412.db2.gz VFNGXTBLFIEWNI-INIZCTEOSA-N 1 2 335.451 3.668 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(Cl)ccc3Cl)[nH+]c12 ZINC000673726264 1129812337 /nfs/dbraw/zinc/81/23/37/1129812337.db2.gz SRNFNOLULFRJOI-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO Cc1ccc(CCCC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673726766 1129813843 /nfs/dbraw/zinc/81/38/43/1129813843.db2.gz YCVKIUVGHQAWPP-UHFFFAOYSA-N 1 2 335.451 3.633 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc4c3CCCC4)[nH+]c12 ZINC000673758888 1129835567 /nfs/dbraw/zinc/83/55/67/1129835567.db2.gz WBIQQLZHNDEIJT-UHFFFAOYSA-N 1 2 348.450 3.886 20 0 EHADLO CCCc1ccccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673760258 1129835612 /nfs/dbraw/zinc/83/56/12/1129835612.db2.gz TYWRQZAYJKGTMG-UHFFFAOYSA-N 1 2 336.439 3.959 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000766029596 1129843658 /nfs/dbraw/zinc/84/36/58/1129843658.db2.gz CHLTVEJDGFXVFL-HNNXBMFYSA-N 1 2 339.505 3.611 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000766029596 1129843661 /nfs/dbraw/zinc/84/36/61/1129843661.db2.gz CHLTVEJDGFXVFL-HNNXBMFYSA-N 1 2 339.505 3.611 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@H](C)c3ccccc3)[nH+]c12 ZINC000673778039 1129845611 /nfs/dbraw/zinc/84/56/11/1129845611.db2.gz SLDGHNPLLZOHKX-MRXNPFEDSA-N 1 2 336.439 3.588 20 0 EHADLO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000625458197 1129885847 /nfs/dbraw/zinc/88/58/47/1129885847.db2.gz GLXXORKKJGAYIK-JKSUJKDBSA-N 1 2 327.428 3.673 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673989156 1129940491 /nfs/dbraw/zinc/94/04/91/1129940491.db2.gz IBUZFYPCYZHQJZ-GOEBONIOSA-N 1 2 347.846 3.558 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N(Cc1ccccc1)C1CC1 ZINC000674009035 1129956153 /nfs/dbraw/zinc/95/61/53/1129956153.db2.gz DVJJVAPLSVBYCK-HXUWFJFHSA-N 1 2 338.426 3.764 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N(Cc1ccccc1)C1CC1 ZINC000674009035 1129956156 /nfs/dbraw/zinc/95/61/56/1129956156.db2.gz DVJJVAPLSVBYCK-HXUWFJFHSA-N 1 2 338.426 3.764 20 0 EHADLO Cc1sc2nc(C[N@@H+]3C[C@@H](C)C(F)(F)[C@@H](C)C3)nc(N)c2c1C ZINC000625655150 1129967434 /nfs/dbraw/zinc/96/74/34/1129967434.db2.gz SAWNLZVUDOCXEB-DTORHVGOSA-N 1 2 340.443 3.613 20 0 EHADLO Cc1sc2nc(C[N@H+]3C[C@@H](C)C(F)(F)[C@@H](C)C3)nc(N)c2c1C ZINC000625655150 1129967436 /nfs/dbraw/zinc/96/74/36/1129967436.db2.gz SAWNLZVUDOCXEB-DTORHVGOSA-N 1 2 340.443 3.613 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429215063 1129984709 /nfs/dbraw/zinc/98/47/09/1129984709.db2.gz NVAFMDGCOPOLTQ-MRXNPFEDSA-N 1 2 348.406 3.812 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000171019744 1129998865 /nfs/dbraw/zinc/99/88/65/1129998865.db2.gz DAWMZMOVAOSDBI-UHFFFAOYSA-N 1 2 345.446 3.588 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674790519 1130195230 /nfs/dbraw/zinc/19/52/30/1130195230.db2.gz LDRVFQPBMRXSPZ-LBPRGKRZSA-N 1 2 329.400 3.840 20 0 EHADLO Fc1ccc2oc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)nc2c1 ZINC000674908950 1130223068 /nfs/dbraw/zinc/22/30/68/1130223068.db2.gz KAVXZPQTSXRFSL-QGZVFWFLSA-N 1 2 336.370 3.695 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@@H]3CC(C)C)[nH+]c12 ZINC000675107672 1130255394 /nfs/dbraw/zinc/25/53/94/1130255394.db2.gz YWVIFZXFODJSQO-GOSISDBHSA-N 1 2 342.487 3.795 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3COc4c3cccc4Cl)ccc2[nH+]1 ZINC000675141085 1130265074 /nfs/dbraw/zinc/26/50/74/1130265074.db2.gz JEGFSBQNUAFQSS-AWEZNQCLSA-N 1 2 342.786 3.551 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000675247174 1130294778 /nfs/dbraw/zinc/29/47/78/1130294778.db2.gz BUIWKNRZYSWACX-UHFFFAOYSA-N 1 2 330.435 3.991 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000675247174 1130294785 /nfs/dbraw/zinc/29/47/85/1130294785.db2.gz BUIWKNRZYSWACX-UHFFFAOYSA-N 1 2 330.435 3.991 20 0 EHADLO Cc1cccc(C2(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CCC2)c1 ZINC000675258009 1130299109 /nfs/dbraw/zinc/29/91/09/1130299109.db2.gz PBYCXQVKUGPXMP-PKOBYXMFSA-N 1 2 337.467 3.723 20 0 EHADLO FC(F)(F)c1ccc(Cl)c(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC001212536584 1130322369 /nfs/dbraw/zinc/32/23/69/1130322369.db2.gz PHEROFONMFYBBG-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000766117751 1130331811 /nfs/dbraw/zinc/33/18/11/1130331811.db2.gz GUAPYVICIVGCJM-NWDGAFQWSA-N 1 2 348.434 3.657 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000766117751 1130331817 /nfs/dbraw/zinc/33/18/17/1130331817.db2.gz GUAPYVICIVGCJM-NWDGAFQWSA-N 1 2 348.434 3.657 20 0 EHADLO Cc1nc(N2CCC(N3c4ccccc4C[C@H]3C)CC2)c(C)c(C)[nH+]1 ZINC000675548260 1130426339 /nfs/dbraw/zinc/42/63/39/1130426339.db2.gz JZFAJULTUDHXGL-CQSZACIVSA-N 1 2 336.483 3.822 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(OC2CCCC2)cc1 ZINC000675572986 1130428528 /nfs/dbraw/zinc/42/85/28/1130428528.db2.gz GBYXXHOQJFGGID-UHFFFAOYSA-N 1 2 335.407 3.586 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000675588615 1130430014 /nfs/dbraw/zinc/43/00/14/1130430014.db2.gz IDOAAUQUMFLVQH-INIZCTEOSA-N 1 2 338.411 3.558 20 0 EHADLO CCS(=O)(=O)c1ccc2oc(C[NH+]3C4CCCC3CCC4)nc2c1 ZINC000675891919 1130497120 /nfs/dbraw/zinc/49/71/20/1130497120.db2.gz BLWKLOLVEUJUNP-UHFFFAOYSA-N 1 2 348.468 3.528 20 0 EHADLO Fc1cccc(-c2nc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)co2)c1 ZINC000675975694 1130513286 /nfs/dbraw/zinc/51/32/86/1130513286.db2.gz XACFTXDPYPEMEP-UHFFFAOYSA-N 1 2 348.381 3.956 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)nn1C ZINC000676040476 1130521232 /nfs/dbraw/zinc/52/12/32/1130521232.db2.gz JARQRUTUZGWANI-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)nn1C ZINC000676040476 1130521236 /nfs/dbraw/zinc/52/12/36/1130521236.db2.gz JARQRUTUZGWANI-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676084977 1130529988 /nfs/dbraw/zinc/52/99/88/1130529988.db2.gz FMLZFUFQTJBOAR-AWEZNQCLSA-N 1 2 340.427 3.914 20 0 EHADLO CCc1ccc([C@@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676084977 1130529991 /nfs/dbraw/zinc/52/99/91/1130529991.db2.gz FMLZFUFQTJBOAR-AWEZNQCLSA-N 1 2 340.427 3.914 20 0 EHADLO Cc1ccc(Cc2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)cc1 ZINC000706001645 1130549659 /nfs/dbraw/zinc/54/96/59/1130549659.db2.gz RHCRFLNMBANSBD-HNAYVOBHSA-N 1 2 337.423 3.574 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000706113115 1130555349 /nfs/dbraw/zinc/55/53/49/1130555349.db2.gz JSJLRYLPINKDGP-NXNVCVFFSA-N 1 2 329.444 3.968 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccoc1Cl ZINC001129202056 1130557043 /nfs/dbraw/zinc/55/70/43/1130557043.db2.gz ODMVYOXHZVVVPH-UHFFFAOYSA-N 1 2 336.178 3.702 20 0 EHADLO Cc1sccc1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001129201895 1130557147 /nfs/dbraw/zinc/55/71/47/1130557147.db2.gz LLCCZSDLXWIQAM-UHFFFAOYSA-N 1 2 345.855 3.755 20 0 EHADLO Cc1ccc(OC(F)F)c(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535266349 1130588282 /nfs/dbraw/zinc/58/82/82/1130588282.db2.gz QKTVJNMEXDJEHX-KRWDZBQOSA-N 1 2 332.394 3.873 20 0 EHADLO Cc1ccc(OC(F)F)c(CN[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535266349 1130588285 /nfs/dbraw/zinc/58/82/85/1130588285.db2.gz QKTVJNMEXDJEHX-KRWDZBQOSA-N 1 2 332.394 3.873 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1SC1CCCC1 ZINC000290609127 1130636773 /nfs/dbraw/zinc/63/67/73/1130636773.db2.gz ZCJPMMKFBHQDPE-UHFFFAOYSA-N 1 2 330.457 3.777 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC000497570637 1130639304 /nfs/dbraw/zinc/63/93/04/1130639304.db2.gz GJXCPFMEXZSVPL-CYBMUJFWSA-N 1 2 340.254 3.787 20 0 EHADLO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC000497570637 1130639308 /nfs/dbraw/zinc/63/93/08/1130639308.db2.gz GJXCPFMEXZSVPL-CYBMUJFWSA-N 1 2 340.254 3.787 20 0 EHADLO CCC[N@H+](CC1CCCCC1)Cn1nc(N(C)C)sc1=S ZINC000731204642 1130778744 /nfs/dbraw/zinc/77/87/44/1130778744.db2.gz OSXZGBVRARQMFU-UHFFFAOYSA-N 1 2 328.551 3.990 20 0 EHADLO CCC[N@@H+](CC1CCCCC1)Cn1nc(N(C)C)sc1=S ZINC000731204642 1130778751 /nfs/dbraw/zinc/77/87/51/1130778751.db2.gz OSXZGBVRARQMFU-UHFFFAOYSA-N 1 2 328.551 3.990 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000732182792 1130894517 /nfs/dbraw/zinc/89/45/17/1130894517.db2.gz IMOCARFAEJXBIH-ZDUSSCGKSA-N 1 2 334.489 3.868 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000732182792 1130894520 /nfs/dbraw/zinc/89/45/20/1130894520.db2.gz IMOCARFAEJXBIH-ZDUSSCGKSA-N 1 2 334.489 3.868 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)nc12 ZINC000732211318 1130896835 /nfs/dbraw/zinc/89/68/35/1130896835.db2.gz VLHCRTDLHGKWHR-UWVAXJGDSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccn2cc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)nc12 ZINC000732211318 1130896841 /nfs/dbraw/zinc/89/68/41/1130896841.db2.gz VLHCRTDLHGKWHR-UWVAXJGDSA-N 1 2 335.451 3.993 20 0 EHADLO O=c1oc2ccccc2n1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732979620 1130977534 /nfs/dbraw/zinc/97/75/34/1130977534.db2.gz BNGHKZQRJAOMSX-OAHLLOKOSA-N 1 2 330.334 3.667 20 0 EHADLO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732979620 1130977540 /nfs/dbraw/zinc/97/75/40/1130977540.db2.gz BNGHKZQRJAOMSX-OAHLLOKOSA-N 1 2 330.334 3.667 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000733291244 1131021883 /nfs/dbraw/zinc/02/18/83/1131021883.db2.gz GTJFLYOSDBJIMU-YVEFUNNKSA-N 1 2 332.494 3.583 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000733291244 1131021889 /nfs/dbraw/zinc/02/18/89/1131021889.db2.gz GTJFLYOSDBJIMU-YVEFUNNKSA-N 1 2 332.494 3.583 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C)cc2)o1)c1c(C)nn(C)c1C ZINC000347988805 1131110538 /nfs/dbraw/zinc/11/05/38/1131110538.db2.gz BZYRTWKGVPOOGM-MRXNPFEDSA-N 1 2 339.443 3.636 20 0 EHADLO C[N@H+](CCn1cc(Br)cn1)Cc1c(F)cccc1Cl ZINC000348010678 1131126296 /nfs/dbraw/zinc/12/62/96/1131126296.db2.gz AUTGMNCSLKKVSW-UHFFFAOYSA-N 1 2 346.631 3.570 20 0 EHADLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(F)cccc1Cl ZINC000348010678 1131126298 /nfs/dbraw/zinc/12/62/98/1131126298.db2.gz AUTGMNCSLKKVSW-UHFFFAOYSA-N 1 2 346.631 3.570 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282680195 1131147803 /nfs/dbraw/zinc/14/78/03/1131147803.db2.gz JQIDEPXKNFKSGF-LLVKDONJSA-N 1 2 335.521 3.946 20 0 EHADLO CSCc1nn(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(=S)o1 ZINC000733991459 1131179532 /nfs/dbraw/zinc/17/95/32/1131179532.db2.gz CVTXLEIWSLJGOA-HNNXBMFYSA-N 1 2 325.503 3.848 20 0 EHADLO CSCc1nn(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(=S)o1 ZINC000733991459 1131179535 /nfs/dbraw/zinc/17/95/35/1131179535.db2.gz CVTXLEIWSLJGOA-HNNXBMFYSA-N 1 2 325.503 3.848 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282800 1131465610 /nfs/dbraw/zinc/46/56/10/1131465610.db2.gz BSOZDQHQGBMNRN-JXFKEZNVSA-N 1 2 348.446 3.955 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)cc1 ZINC000738282800 1131465611 /nfs/dbraw/zinc/46/56/11/1131465611.db2.gz BSOZDQHQGBMNRN-JXFKEZNVSA-N 1 2 348.446 3.955 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000740860388 1131549255 /nfs/dbraw/zinc/54/92/55/1131549255.db2.gz PTCSDKDVZXNFTK-LSDHHAIUSA-N 1 2 334.419 3.571 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000740860388 1131549258 /nfs/dbraw/zinc/54/92/58/1131549258.db2.gz PTCSDKDVZXNFTK-LSDHHAIUSA-N 1 2 334.419 3.571 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000740860033 1131549584 /nfs/dbraw/zinc/54/95/84/1131549584.db2.gz OKVIXOGCANIGMP-OLZOCXBDSA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000740860033 1131549587 /nfs/dbraw/zinc/54/95/87/1131549587.db2.gz OKVIXOGCANIGMP-OLZOCXBDSA-N 1 2 336.530 3.715 20 0 EHADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145003 1131583154 /nfs/dbraw/zinc/58/31/54/1131583154.db2.gz IVFODXKSQBUSFC-FZMZJTMJSA-N 1 2 337.370 3.520 20 0 EHADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000741145003 1131583155 /nfs/dbraw/zinc/58/31/55/1131583155.db2.gz IVFODXKSQBUSFC-FZMZJTMJSA-N 1 2 337.370 3.520 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150773 1131584038 /nfs/dbraw/zinc/58/40/38/1131584038.db2.gz MYGQBDRZZRPTGF-HIFRSBDPSA-N 1 2 345.443 3.664 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150773 1131584041 /nfs/dbraw/zinc/58/40/41/1131584041.db2.gz MYGQBDRZZRPTGF-HIFRSBDPSA-N 1 2 345.443 3.664 20 0 EHADLO O=C(OCc1ccnc(Cl)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741354708 1131598825 /nfs/dbraw/zinc/59/88/25/1131598825.db2.gz UFEINPYSTCXYLD-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO O=C(OCc1ccnc(Cl)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741354708 1131598828 /nfs/dbraw/zinc/59/88/28/1131598828.db2.gz UFEINPYSTCXYLD-KRWDZBQOSA-N 1 2 344.842 3.833 20 0 EHADLO CC[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380506 1131600339 /nfs/dbraw/zinc/60/03/39/1131600339.db2.gz BWWBFVKNEBCJMZ-UXHICEINSA-N 1 2 339.435 3.582 20 0 EHADLO CC[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380506 1131600344 /nfs/dbraw/zinc/60/03/44/1131600344.db2.gz BWWBFVKNEBCJMZ-UXHICEINSA-N 1 2 339.435 3.582 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCCCC1 ZINC000741563113 1131619011 /nfs/dbraw/zinc/61/90/11/1131619011.db2.gz CVJBVAWHPGQAGP-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)nc1C(F)(F)F ZINC000742156090 1131693943 /nfs/dbraw/zinc/69/39/43/1131693943.db2.gz WBXQPYIKJYYUEU-RYUDHWBXSA-N 1 2 347.381 3.547 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)nc1C(F)(F)F ZINC000742156090 1131693944 /nfs/dbraw/zinc/69/39/44/1131693944.db2.gz WBXQPYIKJYYUEU-RYUDHWBXSA-N 1 2 347.381 3.547 20 0 EHADLO CCOC(=O)c1cn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)nc1C(F)(F)F ZINC000742156089 1131694024 /nfs/dbraw/zinc/69/40/24/1131694024.db2.gz WBXQPYIKJYYUEU-NWDGAFQWSA-N 1 2 347.381 3.547 20 0 EHADLO CCOC(=O)c1cn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)nc1C(F)(F)F ZINC000742156089 1131694028 /nfs/dbraw/zinc/69/40/28/1131694028.db2.gz WBXQPYIKJYYUEU-NWDGAFQWSA-N 1 2 347.381 3.547 20 0 EHADLO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cn(C)nn2)c2cccs2)cc1 ZINC000742366785 1131710679 /nfs/dbraw/zinc/71/06/79/1131710679.db2.gz ROCHYHPAAZBZEE-LJQANCHMSA-N 1 2 340.496 3.954 20 0 EHADLO CC(C)COCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172478001 1131736944 /nfs/dbraw/zinc/73/69/44/1131736944.db2.gz FVWZEFVZFAINFH-SJORKVTESA-N 1 2 332.479 3.633 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C(/C)C(C)(C)C)CC2)cc1 ZINC000742501374 1131738621 /nfs/dbraw/zinc/73/86/21/1131738621.db2.gz NNFQTYWMVNGEKY-ICFOKQHNSA-N 1 2 344.499 3.722 20 0 EHADLO CC(C)COCC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172485860 1131739402 /nfs/dbraw/zinc/73/94/02/1131739402.db2.gz ZNHBXFRVKCAXBM-KSSFIOAISA-N 1 2 327.415 3.789 20 0 EHADLO CC(C)COCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172485860 1131739406 /nfs/dbraw/zinc/73/94/06/1131739406.db2.gz ZNHBXFRVKCAXBM-KSSFIOAISA-N 1 2 327.415 3.789 20 0 EHADLO Cc1nc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Cl)cc1Cl ZINC001212665476 1131758698 /nfs/dbraw/zinc/75/86/98/1131758698.db2.gz QJBRQNLQTMLANU-UHFFFAOYSA-N 1 2 338.238 3.617 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000742642252 1131764597 /nfs/dbraw/zinc/76/45/97/1131764597.db2.gz FKCAYSLGOFBXDA-AOIWGVFYSA-N 1 2 326.525 3.599 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(OC(F)(F)F)c3)cc2)C1 ZINC001212668377 1131766093 /nfs/dbraw/zinc/76/60/93/1131766093.db2.gz VWZJMBPLJCAABL-UHFFFAOYSA-N 1 2 338.329 3.505 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)CCC1 ZINC001172575131 1131778649 /nfs/dbraw/zinc/77/86/49/1131778649.db2.gz HMFMZFVEALDOOE-SNVBAGLBSA-N 1 2 331.790 3.625 20 0 EHADLO Cc1c(Nc2ccc(C[NH+]3CC(O)C3)cc2)cccc1C(F)(F)F ZINC001212668270 1131784305 /nfs/dbraw/zinc/78/43/05/1131784305.db2.gz QWVJBRFLEADIRB-UHFFFAOYSA-N 1 2 336.357 3.934 20 0 EHADLO COc1cccc2c(Nc3ccc(C[NH+]4CC(O)C4)cc3)cccc12 ZINC001212672368 1131789391 /nfs/dbraw/zinc/78/93/91/1131789391.db2.gz KZBFIWUZCSIDDP-UHFFFAOYSA-N 1 2 334.419 3.769 20 0 EHADLO CCC[C@H]([NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172579717 1131792236 /nfs/dbraw/zinc/79/22/36/1131792236.db2.gz XXRGWRBRNPGIBX-BONVTDFDSA-N 1 2 333.806 3.871 20 0 EHADLO C/C(=C\C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000742856921 1131807619 /nfs/dbraw/zinc/80/76/19/1131807619.db2.gz AGXVMECXTDYXEM-UQCBTIDJSA-N 1 2 345.446 3.924 20 0 EHADLO CCCCSCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000742943265 1131816721 /nfs/dbraw/zinc/81/67/21/1131816721.db2.gz YSFWFMGNJIOFIW-UHFFFAOYSA-N 1 2 349.544 3.680 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722161 1131822271 /nfs/dbraw/zinc/82/22/71/1131822271.db2.gz PKHXAWZSXHXQDS-AWEZNQCLSA-N 1 2 331.799 3.593 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722161 1131822275 /nfs/dbraw/zinc/82/22/75/1131822275.db2.gz PKHXAWZSXHXQDS-AWEZNQCLSA-N 1 2 331.799 3.593 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001172722672 1131822581 /nfs/dbraw/zinc/82/25/81/1131822581.db2.gz ZKZZLDGHCNZNMY-AZUAARDMSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001172722672 1131822589 /nfs/dbraw/zinc/82/25/89/1131822589.db2.gz ZKZZLDGHCNZNMY-AZUAARDMSA-N 1 2 343.854 3.587 20 0 EHADLO FC1(F)CN([C@@H]2Cc3ccc(Cl)cc3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001172721537 1131822988 /nfs/dbraw/zinc/82/29/88/1131822988.db2.gz COLFIIYDHIHMIY-SJORKVTESA-N 1 2 340.845 3.613 20 0 EHADLO Cc1nc([C@H]2COCC[N@@H+]2[C@@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834098 1131857154 /nfs/dbraw/zinc/85/71/54/1131857154.db2.gz RXAKWBAXQGUQLR-IEBWSBKVSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@H]2COCC[N@H+]2[C@@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834098 1131857160 /nfs/dbraw/zinc/85/71/60/1131857160.db2.gz RXAKWBAXQGUQLR-IEBWSBKVSA-N 1 2 328.481 3.691 20 0 EHADLO C[N@H+](CCc1ccccc1F)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743364840 1131902472 /nfs/dbraw/zinc/90/24/72/1131902472.db2.gz PRLWCQMWJJVVCY-SFHVURJKSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@@H+](CCc1ccccc1F)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743364840 1131902477 /nfs/dbraw/zinc/90/24/77/1131902477.db2.gz PRLWCQMWJJVVCY-SFHVURJKSA-N 1 2 346.833 3.885 20 0 EHADLO CC(C)CC[N@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CC1 ZINC000743347706 1131905506 /nfs/dbraw/zinc/90/55/06/1131905506.db2.gz GWTBOICHTVJOKS-UHFFFAOYSA-N 1 2 344.455 3.901 20 0 EHADLO CC(C)CC[N@@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CC1 ZINC000743347706 1131905513 /nfs/dbraw/zinc/90/55/13/1131905513.db2.gz GWTBOICHTVJOKS-UHFFFAOYSA-N 1 2 344.455 3.901 20 0 EHADLO COC(=O)c1sc(C)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693090 1131906604 /nfs/dbraw/zinc/90/66/04/1131906604.db2.gz BWKYRKSVEFDETD-UHFFFAOYSA-N 1 2 327.409 3.832 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@H]1c1ccccc1 ZINC000743392310 1131910533 /nfs/dbraw/zinc/91/05/33/1131910533.db2.gz HAROTLKLUCAFMK-SJKOYZFVSA-N 1 2 328.799 3.898 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@H]1c1ccccc1 ZINC000743392310 1131910538 /nfs/dbraw/zinc/91/05/38/1131910538.db2.gz HAROTLKLUCAFMK-SJKOYZFVSA-N 1 2 328.799 3.898 20 0 EHADLO COC(=O)c1cc(F)c(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696639 1131932264 /nfs/dbraw/zinc/93/22/64/1131932264.db2.gz BOPXNULYIRQPGV-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO COC(=O)[C@@H]1Cc2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2C1 ZINC001212699985 1131935196 /nfs/dbraw/zinc/93/51/96/1131935196.db2.gz NMAIYGDDQJQZCC-QGZVFWFLSA-N 1 2 347.418 3.563 20 0 EHADLO O=C(NC1CC1)c1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696849 1131936002 /nfs/dbraw/zinc/93/60/02/1131936002.db2.gz PZJZBHYTITZDTP-UHFFFAOYSA-N 1 2 332.407 3.567 20 0 EHADLO COC(=O)c1c(F)ccc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697565 1131937281 /nfs/dbraw/zinc/93/72/81/1131937281.db2.gz GDZBSDHFUVKTOA-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173118304 1131973177 /nfs/dbraw/zinc/97/31/77/1131973177.db2.gz UNIWLPFOAQNPQP-IBGZPJMESA-N 1 2 344.499 3.957 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1nnc(-c2cccc(F)c2)o1 ZINC000743839062 1131982880 /nfs/dbraw/zinc/98/28/80/1131982880.db2.gz AAZCYSPPWWOXNG-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1nnc(-c2cccc(F)c2)o1 ZINC000743839062 1131982886 /nfs/dbraw/zinc/98/28/86/1131982886.db2.gz AAZCYSPPWWOXNG-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO CCc1ccc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001173239958 1132027315 /nfs/dbraw/zinc/02/73/15/1132027315.db2.gz VSYCVRYPPWLUAS-JXFKEZNVSA-N 1 2 325.452 3.554 20 0 EHADLO CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)C1 ZINC001173280425 1132040544 /nfs/dbraw/zinc/04/05/44/1132040544.db2.gz OUQLEASAHPYABS-ZACQAIPSSA-N 1 2 340.471 3.812 20 0 EHADLO CC[C@@H]1CC[C@H]([N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)C1 ZINC001173280425 1132040551 /nfs/dbraw/zinc/04/05/51/1132040551.db2.gz OUQLEASAHPYABS-ZACQAIPSSA-N 1 2 340.471 3.812 20 0 EHADLO CCc1ccccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001173970444 1132186707 /nfs/dbraw/zinc/18/67/07/1132186707.db2.gz UKOBAUHIRDGCSJ-UHFFFAOYSA-N 1 2 337.467 3.513 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000745084929 1132190936 /nfs/dbraw/zinc/19/09/36/1132190936.db2.gz LSRDVGYEARACNF-QAPCUYQASA-N 1 2 346.471 3.556 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000745084929 1132190938 /nfs/dbraw/zinc/19/09/38/1132190938.db2.gz LSRDVGYEARACNF-QAPCUYQASA-N 1 2 346.471 3.556 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000745084927 1132190966 /nfs/dbraw/zinc/19/09/66/1132190966.db2.gz LSRDVGYEARACNF-CRAIPNDOSA-N 1 2 346.471 3.556 20 0 EHADLO CC[C@@H](C)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000745084927 1132190970 /nfs/dbraw/zinc/19/09/70/1132190970.db2.gz LSRDVGYEARACNF-CRAIPNDOSA-N 1 2 346.471 3.556 20 0 EHADLO Cc1ccc(Nc2nc(COC(=O)[C@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000745078744 1132195315 /nfs/dbraw/zinc/19/53/15/1132195315.db2.gz GZRIVXXVWXVTQF-MRXNPFEDSA-N 1 2 345.468 3.723 20 0 EHADLO Cc1ccc(Nc2nc(COC(=O)[C@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000745078744 1132195319 /nfs/dbraw/zinc/19/53/19/1132195319.db2.gz GZRIVXXVWXVTQF-MRXNPFEDSA-N 1 2 345.468 3.723 20 0 EHADLO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000766329947 1132239290 /nfs/dbraw/zinc/23/92/90/1132239290.db2.gz FGOHIKQAUQANJJ-UXHICEINSA-N 1 2 349.478 3.617 20 0 EHADLO COc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC001174154379 1132257681 /nfs/dbraw/zinc/25/76/81/1132257681.db2.gz FDUAMUMKKYRZMP-UHFFFAOYSA-N 1 2 332.831 3.924 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cncc(F)c1 ZINC001174290603 1132299642 /nfs/dbraw/zinc/29/96/42/1132299642.db2.gz ILTOFENJCNVZAE-UHFFFAOYSA-N 1 2 335.180 3.991 20 0 EHADLO Cc1cc(C)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c[nH+]1 ZINC001174260999 1132303917 /nfs/dbraw/zinc/30/39/17/1132303917.db2.gz RTQDAFGQGDMZKA-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000745783237 1132315296 /nfs/dbraw/zinc/31/52/96/1132315296.db2.gz LSILOMIJVWHWBB-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1nc(Nc2ccc3occc3c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001174419024 1132346799 /nfs/dbraw/zinc/34/67/99/1132346799.db2.gz CKGUFDGHTCWBIM-CHWSQXEVSA-N 1 2 338.411 3.888 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc3occc3c2)[nH+]1 ZINC001174419024 1132346806 /nfs/dbraw/zinc/34/68/06/1132346806.db2.gz CKGUFDGHTCWBIM-CHWSQXEVSA-N 1 2 338.411 3.888 20 0 EHADLO CC[N@@H+](Cc1cccc(Br)c1)Cn1cc(Cl)cn1 ZINC000746026475 1132349825 /nfs/dbraw/zinc/34/98/25/1132349825.db2.gz IRIUBEBRPGFXKV-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC[N@H+](Cc1cccc(Br)c1)Cn1cc(Cl)cn1 ZINC000746026475 1132349832 /nfs/dbraw/zinc/34/98/32/1132349832.db2.gz IRIUBEBRPGFXKV-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](Cc3ccccc3F)C(C)C)c2c1 ZINC000746033745 1132351819 /nfs/dbraw/zinc/35/18/19/1132351819.db2.gz WJDDTWAAMQABRL-UHFFFAOYSA-N 1 2 328.387 3.910 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](Cc3ccccc3F)C(C)C)c2c1 ZINC000746033745 1132351826 /nfs/dbraw/zinc/35/18/26/1132351826.db2.gz WJDDTWAAMQABRL-UHFFFAOYSA-N 1 2 328.387 3.910 20 0 EHADLO Clc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432083 1132352847 /nfs/dbraw/zinc/35/28/47/1132352847.db2.gz JWGZAESRYLCVSQ-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1ncn(C2CC2)c1=S ZINC000746034365 1132352977 /nfs/dbraw/zinc/35/29/77/1132352977.db2.gz PCXJCGLNHCXSHZ-UHFFFAOYSA-N 1 2 332.473 3.627 20 0 EHADLO CCC[N@H+](Cc1ccc(OC)cc1)Cn1ncn(C2CC2)c1=S ZINC000746034365 1132352986 /nfs/dbraw/zinc/35/29/86/1132352986.db2.gz PCXJCGLNHCXSHZ-UHFFFAOYSA-N 1 2 332.473 3.627 20 0 EHADLO CSc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432644 1132354497 /nfs/dbraw/zinc/35/44/97/1132354497.db2.gz VSYUMAHGVYIRJZ-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CC[N@H+](Cc1ncc(Cl)n1C)Cc1cccc(Br)c1 ZINC000746134272 1132380588 /nfs/dbraw/zinc/38/05/88/1132380588.db2.gz ARKCMUYMWSRZQM-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO CC[N@@H+](Cc1ncc(Cl)n1C)Cc1cccc(Br)c1 ZINC000746134272 1132380596 /nfs/dbraw/zinc/38/05/96/1132380596.db2.gz ARKCMUYMWSRZQM-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO Fc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1OC1COC1 ZINC001174525445 1132382824 /nfs/dbraw/zinc/38/28/24/1132382824.db2.gz ZLWWWRPNJIMZFY-UHFFFAOYSA-N 1 2 343.402 3.732 20 0 EHADLO Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523873 1132399990 /nfs/dbraw/zinc/39/99/90/1132399990.db2.gz WLWQKZBFNIEEPK-UHFFFAOYSA-N 1 2 338.455 3.826 20 0 EHADLO O=c1ccccn1-c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174523850 1132400348 /nfs/dbraw/zinc/40/03/48/1132400348.db2.gz VMOJHBVIRIPSGU-UHFFFAOYSA-N 1 2 346.434 3.966 20 0 EHADLO CCOC(=O)c1c(C)nsc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523239 1132400615 /nfs/dbraw/zinc/40/06/15/1132400615.db2.gz KASLAYKFDZTPOB-UHFFFAOYSA-N 1 2 346.456 3.757 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(-c2cccnc2)n1 ZINC001174522673 1132400707 /nfs/dbraw/zinc/40/07/07/1132400707.db2.gz SPIQYBGJAWKWFE-UHFFFAOYSA-N 1 2 334.427 3.705 20 0 EHADLO COCCOc1c(F)cccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525240 1132401824 /nfs/dbraw/zinc/40/18/24/1132401824.db2.gz TWUYZBFFTCVNPO-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Brc1ccc2[nH+]ccc(Nc3cnc(C4CC4)nc3)c2c1 ZINC001174609915 1132429979 /nfs/dbraw/zinc/42/99/79/1132429979.db2.gz NVTJPALGRVSZOY-UHFFFAOYSA-N 1 2 341.212 3.830 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COc1nnc(-c2ccccc2)o1 ZINC000191558899 1132463077 /nfs/dbraw/zinc/46/30/77/1132463077.db2.gz KWHPGPBSXBKIOM-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO C=Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c1nc[nH+]c2N ZINC001174780478 1132463814 /nfs/dbraw/zinc/46/38/14/1132463814.db2.gz CBBCHIUNOWJSQI-UHFFFAOYSA-N 1 2 329.363 3.968 20 0 EHADLO Cc1cn2c(cccc2NC=C2CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001174845105 1132483359 /nfs/dbraw/zinc/48/33/59/1132483359.db2.gz TULDNDXFLMCIBV-UHFFFAOYSA-N 1 2 342.443 3.969 20 0 EHADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc(Br)s1 ZINC001156099377 1132501546 /nfs/dbraw/zinc/50/15/46/1132501546.db2.gz OMUIOZYMIIVBNJ-MRVPVSSYSA-N 1 2 327.251 3.540 20 0 EHADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc(Br)s1 ZINC001156099377 1132501553 /nfs/dbraw/zinc/50/15/53/1132501553.db2.gz OMUIOZYMIIVBNJ-MRVPVSSYSA-N 1 2 327.251 3.540 20 0 EHADLO Cc1ccc(Br)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174975949 1132510167 /nfs/dbraw/zinc/51/01/67/1132510167.db2.gz GSHZDPBOTVVVLN-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1cccc(C(F)(F)F)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174975699 1132510443 /nfs/dbraw/zinc/51/04/43/1132510443.db2.gz AMMXOWGKOVDISN-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO COc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)ccc1C ZINC000766405202 1132531170 /nfs/dbraw/zinc/53/11/70/1132531170.db2.gz SLHLPOYHMWZTIY-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO COc1cccc2c(Nc3ccc(N4CCOCC4)[nH+]c3)cccc12 ZINC001174980377 1132534242 /nfs/dbraw/zinc/53/42/42/1132534242.db2.gz RLIXSAZCSDYVGL-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO Fc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc(C(F)(F)F)c1 ZINC001175062332 1132539017 /nfs/dbraw/zinc/53/90/17/1132539017.db2.gz FFQUXCPAYZWVTJ-UHFFFAOYSA-N 1 2 341.308 3.820 20 0 EHADLO CCOCCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCC1 ZINC000766427892 1132541276 /nfs/dbraw/zinc/54/12/76/1132541276.db2.gz LRSVSMVULSCFCN-UHFFFAOYSA-N 1 2 345.491 3.980 20 0 EHADLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C1CC1 ZINC000766490621 1132554853 /nfs/dbraw/zinc/55/48/53/1132554853.db2.gz JFNQDMJOQDVVLP-UHFFFAOYSA-N 1 2 347.418 3.688 20 0 EHADLO Cc1ccc([C@H](C)Nc2[nH+]cccc2CC(=O)OC(C)(C)C)nc1 ZINC001168851349 1132587987 /nfs/dbraw/zinc/58/79/87/1132587987.db2.gz LTCKFQFUYJHTON-AWEZNQCLSA-N 1 2 327.428 3.842 20 0 EHADLO CCOc1ccc(N(c2[nH+]cccc2N)[C@H]2CC[C@H](O)CC2)c(C)c1 ZINC001175242739 1132607091 /nfs/dbraw/zinc/60/70/91/1132607091.db2.gz NIDHKKAKMYRMDZ-WKILWMFISA-N 1 2 341.455 3.813 20 0 EHADLO CC(=O)Nc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1C(F)(F)F ZINC001175343855 1132627631 /nfs/dbraw/zinc/62/76/31/1132627631.db2.gz RCCFJKKDZRXTRW-UHFFFAOYSA-N 1 2 338.333 3.868 20 0 EHADLO CN(C)c1ccc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)c[nH+]1 ZINC001175345098 1132627649 /nfs/dbraw/zinc/62/76/49/1132627649.db2.gz KJZWEKHLXDAXAJ-UHFFFAOYSA-N 1 2 347.422 3.726 20 0 EHADLO Cc1csc2nc(Cl)nc(NCCc3cn4ccccc4[nH+]3)c12 ZINC001169000529 1132628883 /nfs/dbraw/zinc/62/88/83/1132628883.db2.gz ODBYCARTHDOTCW-UHFFFAOYSA-N 1 2 343.843 3.955 20 0 EHADLO CN(C)c1ccc(Nc2ccc(-c3ccc(N)c(O)c3)cc2O)c[nH+]1 ZINC001175346261 1132629184 /nfs/dbraw/zinc/62/91/84/1132629184.db2.gz PEDPCLZFQLOIKS-UHFFFAOYSA-N 1 2 336.395 3.552 20 0 EHADLO Cc1cc(CNc2nc(C)[nH+]c3c2CCCC3)ncc1Br ZINC001169202405 1132690001 /nfs/dbraw/zinc/69/00/01/1132690001.db2.gz CENHCKCAPUUZJY-UHFFFAOYSA-N 1 2 347.260 3.742 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(OC)c2)o1 ZINC001169178421 1132692868 /nfs/dbraw/zinc/69/28/68/1132692868.db2.gz QCTSGCAHKGBJEA-CYBMUJFWSA-N 1 2 338.411 3.553 20 0 EHADLO CC1(c2cc[nH+]c(NCc3c(Cl)cncc3Cl)c2)OCCO1 ZINC001169182872 1132694089 /nfs/dbraw/zinc/69/40/89/1132694089.db2.gz MAIYWBNFSXVBLM-UHFFFAOYSA-N 1 2 340.210 3.615 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@@H]1CCCC(F)(F)C1 ZINC001169214386 1132697425 /nfs/dbraw/zinc/69/74/25/1132697425.db2.gz XXMGNTBFHNFPSP-CYBMUJFWSA-N 1 2 326.387 3.956 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)O2 ZINC001169226943 1132701612 /nfs/dbraw/zinc/70/16/12/1132701612.db2.gz XBWJEHXBIGHKDD-INIZCTEOSA-N 1 2 345.389 3.942 20 0 EHADLO COc1ccc2c(c1)C[C@@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)O2 ZINC001169226943 1132701619 /nfs/dbraw/zinc/70/16/19/1132701619.db2.gz XBWJEHXBIGHKDD-INIZCTEOSA-N 1 2 345.389 3.942 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)nc1C(F)(F)F ZINC000766665412 1132729857 /nfs/dbraw/zinc/72/98/57/1132729857.db2.gz YHBYFNCMXQMVQJ-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)OC(F)(F)O3)c[nH+]1 ZINC001175713090 1132740185 /nfs/dbraw/zinc/74/01/85/1132740185.db2.gz PISZHKFOBOWKSM-UHFFFAOYSA-N 1 2 333.216 3.748 20 0 EHADLO COc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c2ccncc12 ZINC001175713396 1132740907 /nfs/dbraw/zinc/74/09/07/1132740907.db2.gz GGITUFRBSMFDGE-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO Cc1cc(NCc2c(=O)[nH]c(C)c3c2CCCC3)ccc1[NH+](C)C ZINC001169404485 1132741531 /nfs/dbraw/zinc/74/15/31/1132741531.db2.gz PEEUDQUVICDDDY-UHFFFAOYSA-N 1 2 325.456 3.961 20 0 EHADLO COC(Cc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F)OC ZINC001175717803 1132742493 /nfs/dbraw/zinc/74/24/93/1132742493.db2.gz QKNMXRQPLKWSTJ-UHFFFAOYSA-N 1 2 341.333 3.588 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC001175741633 1132749748 /nfs/dbraw/zinc/74/97/48/1132749748.db2.gz NRRBHYCIIFRXFT-LJQANCHMSA-N 1 2 330.378 3.915 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC001175741633 1132749753 /nfs/dbraw/zinc/74/97/53/1132749753.db2.gz NRRBHYCIIFRXFT-LJQANCHMSA-N 1 2 330.378 3.915 20 0 EHADLO CCOc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cn1 ZINC001175740517 1132750128 /nfs/dbraw/zinc/75/01/28/1132750128.db2.gz NPMJCSYHPQMADU-UHFFFAOYSA-N 1 2 333.189 3.634 20 0 EHADLO CN(CCCNC(=O)CC1CC(c2ccccc2)C1)c1cccc[nH+]1 ZINC001175706416 1132753876 /nfs/dbraw/zinc/75/38/76/1132753876.db2.gz CXAHYVIBKLIXLE-UHFFFAOYSA-N 1 2 337.467 3.608 20 0 EHADLO Cc1cnc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(Br)c1 ZINC001175708515 1132754463 /nfs/dbraw/zinc/75/44/63/1132754463.db2.gz RAVBNRPMSVRXQV-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnc(-c3ccc(O)cc3)nc2)c[nH+]1 ZINC001175711138 1132755221 /nfs/dbraw/zinc/75/52/21/1132755221.db2.gz QFIDXEPTRPKTQU-UHFFFAOYSA-N 1 2 347.300 3.589 20 0 EHADLO Cc1nc2sccc2c(Nc2c[nH+]c(N)cc2C(F)(F)F)n1 ZINC001175709468 1132755393 /nfs/dbraw/zinc/75/53/93/1132755393.db2.gz DIWJQDYGYMBIJA-UHFFFAOYSA-N 1 2 325.319 3.739 20 0 EHADLO CC(C)(C)Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)on1 ZINC001175856412 1132784762 /nfs/dbraw/zinc/78/47/62/1132784762.db2.gz BZMLOZHMFZRWMN-UHFFFAOYSA-N 1 2 329.444 3.839 20 0 EHADLO O[C@H]1c2ccccc2CC[C@@H]1Nc1cccc(Cc2ccncc2)[nH+]1 ZINC001169629448 1132801048 /nfs/dbraw/zinc/80/10/48/1132801048.db2.gz WPLRHWAYUZRTTM-FPOVZHCZSA-N 1 2 331.419 3.528 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@H]1Nc1cccc(Cc2ccncc2)[nH+]1 ZINC001169629450 1132802009 /nfs/dbraw/zinc/80/20/09/1132802009.db2.gz WPLRHWAYUZRTTM-TZIWHRDSSA-N 1 2 331.419 3.528 20 0 EHADLO O[C@@H]1c2ccccc2CC[C@H]1Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169629754 1132802058 /nfs/dbraw/zinc/80/20/58/1132802058.db2.gz NCTZERIMUROCFY-IFMALSPDSA-N 1 2 334.463 3.846 20 0 EHADLO Brc1cc(Nc2cccc3c2OCC3)cn2cc[nH+]c12 ZINC001176074124 1132828586 /nfs/dbraw/zinc/82/85/86/1132828586.db2.gz HXXAYBWTFLIZKI-UHFFFAOYSA-N 1 2 330.185 3.775 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC001176151192 1132844412 /nfs/dbraw/zinc/84/44/12/1132844412.db2.gz BNRGRKOPRFXOGN-UHFFFAOYSA-N 1 2 340.814 3.971 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(Br)c(C)nc1Cl ZINC001176118674 1132852308 /nfs/dbraw/zinc/85/23/08/1132852308.db2.gz KXEUTUBJVFVTHQ-UHFFFAOYSA-N 1 2 328.597 3.953 20 0 EHADLO CNC(=O)c1cccc(Oc2ccc(Nc3c[nH+]ccc3OC)cc2)c1 ZINC001176124155 1132853494 /nfs/dbraw/zinc/85/34/94/1132853494.db2.gz OEVRDUALVPQKSN-UHFFFAOYSA-N 1 2 349.390 3.986 20 0 EHADLO COC(=O)c1ccc(C(F)(F)F)c(Nc2c[nH+]ccc2OC)c1 ZINC001176123535 1132853742 /nfs/dbraw/zinc/85/37/42/1132853742.db2.gz BNMOATUJYBJAGQ-UHFFFAOYSA-N 1 2 326.274 3.639 20 0 EHADLO CN(C)c1ccc(NCc2ccc(Br)c(Cl)n2)[nH+]c1 ZINC001169824600 1132869690 /nfs/dbraw/zinc/86/96/90/1132869690.db2.gz VDVMBKJDTLZCCK-UHFFFAOYSA-N 1 2 341.640 3.571 20 0 EHADLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1O ZINC001176252735 1132894429 /nfs/dbraw/zinc/89/44/29/1132894429.db2.gz KFMRWHDVJCIOGH-UHFFFAOYSA-N 1 2 334.173 3.555 20 0 EHADLO OCC12CCC(CC1)[N@@H+]2Cc1cc(Br)ccc1Cl ZINC001176357369 1132919917 /nfs/dbraw/zinc/91/99/17/1132919917.db2.gz ZAIHIPTYZLWIRN-UHFFFAOYSA-N 1 2 330.653 3.592 20 0 EHADLO OCC12CCC(CC1)[N@H+]2Cc1cc(Br)ccc1Cl ZINC001176357369 1132919919 /nfs/dbraw/zinc/91/99/19/1132919919.db2.gz ZAIHIPTYZLWIRN-UHFFFAOYSA-N 1 2 330.653 3.592 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)nc1 ZINC000767091856 1132947755 /nfs/dbraw/zinc/94/77/55/1132947755.db2.gz KJMWQINEXQGZJA-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO O=C(CNc1cc[nH+]c2c(Cl)cccc12)NCc1ccccc1 ZINC000804351261 1132972066 /nfs/dbraw/zinc/97/20/66/1132972066.db2.gz UZKCIPRAGXQACP-UHFFFAOYSA-N 1 2 325.799 3.617 20 0 EHADLO Cc1nc(Nc2cc(O)cc(Cl)c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176622215 1132973042 /nfs/dbraw/zinc/97/30/42/1132973042.db2.gz ODEREQIOGXQVBG-QWRGUYRKSA-N 1 2 348.834 3.501 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@H+]1C[C@H](C)C1CCCCC1 ZINC001176761302 1132999255 /nfs/dbraw/zinc/99/92/55/1132999255.db2.gz VMTUHKVWHZOSGL-HNAYVOBHSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@H]1c2ccccc2OCC[N@@H+]1C[C@H](C)C1CCCCC1 ZINC001176761302 1132999258 /nfs/dbraw/zinc/99/92/58/1132999258.db2.gz VMTUHKVWHZOSGL-HNAYVOBHSA-N 1 2 331.456 3.812 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(c2csc3ccccc23)CC1 ZINC001176832402 1133003832 /nfs/dbraw/zinc/00/38/32/1133003832.db2.gz QTANDDRLDJSJON-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1nnsc1[C@H](C)[NH+]1CCN(c2cccc(Cl)c2C)CC1 ZINC001176842125 1133004331 /nfs/dbraw/zinc/00/43/31/1133004331.db2.gz OMSKOPWWQRVZNX-ZDUSSCGKSA-N 1 2 336.892 3.692 20 0 EHADLO CN(C)c1cc(COC(=O)c2ccc3nc(Cl)ccc3c2)cc[nH+]1 ZINC000767498646 1133007200 /nfs/dbraw/zinc/00/72/00/1133007200.db2.gz FYYHVQQYSLPJRN-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001204179445 1133009720 /nfs/dbraw/zinc/00/97/20/1133009720.db2.gz QRWUTPFDJJKXSG-GOSISDBHSA-N 1 2 333.472 3.572 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001204179445 1133009721 /nfs/dbraw/zinc/00/97/21/1133009721.db2.gz QRWUTPFDJJKXSG-GOSISDBHSA-N 1 2 333.472 3.572 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCO1 ZINC001176994650 1133019183 /nfs/dbraw/zinc/01/91/83/1133019183.db2.gz AYYRCBCVGRHHGI-KRWDZBQOSA-N 1 2 348.878 3.558 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCO1 ZINC001176994650 1133019186 /nfs/dbraw/zinc/01/91/86/1133019186.db2.gz AYYRCBCVGRHHGI-KRWDZBQOSA-N 1 2 348.878 3.558 20 0 EHADLO Cc1oncc1C[N@@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001177028231 1133023828 /nfs/dbraw/zinc/02/38/28/1133023828.db2.gz XQGMCKIPBLFHET-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO Cc1oncc1C[N@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001177028231 1133023832 /nfs/dbraw/zinc/02/38/32/1133023832.db2.gz XQGMCKIPBLFHET-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000767687744 1133040207 /nfs/dbraw/zinc/04/02/07/1133040207.db2.gz WHUKOFKEEYGEEL-UHFFFAOYSA-N 1 2 343.283 3.909 20 0 EHADLO Fc1ccc(Oc2cncc(Cl)c2)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC001177186733 1133041801 /nfs/dbraw/zinc/04/18/01/1133041801.db2.gz XOIFPDDGQGVZSG-UHFFFAOYSA-N 1 2 332.766 3.679 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccccn2)nc1=S ZINC000767763443 1133048930 /nfs/dbraw/zinc/04/89/30/1133048930.db2.gz CFPXADVQDTYXRB-AWEZNQCLSA-N 1 2 331.489 3.861 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1[nH]c(-c2ccccn2)nc1=S ZINC000767763443 1133048935 /nfs/dbraw/zinc/04/89/35/1133048935.db2.gz CFPXADVQDTYXRB-AWEZNQCLSA-N 1 2 331.489 3.861 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000767777240 1133052428 /nfs/dbraw/zinc/05/24/28/1133052428.db2.gz YWCYHKMTLGPXLF-ZBFHGGJFSA-N 1 2 348.541 3.808 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000767777240 1133052431 /nfs/dbraw/zinc/05/24/31/1133052431.db2.gz YWCYHKMTLGPXLF-ZBFHGGJFSA-N 1 2 348.541 3.808 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000767777234 1133052447 /nfs/dbraw/zinc/05/24/47/1133052447.db2.gz YWCYHKMTLGPXLF-GDBMZVCRSA-N 1 2 348.541 3.808 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000767777234 1133052454 /nfs/dbraw/zinc/05/24/54/1133052454.db2.gz YWCYHKMTLGPXLF-GDBMZVCRSA-N 1 2 348.541 3.808 20 0 EHADLO Fc1cccc(F)c1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000067669876 1133064986 /nfs/dbraw/zinc/06/49/86/1133064986.db2.gz RRCZKJSYBWEEAF-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773670178 1133074250 /nfs/dbraw/zinc/07/42/50/1133074250.db2.gz QZSVRLGWQZXKLP-UHFFFAOYSA-N 1 2 348.855 3.872 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773670178 1133074253 /nfs/dbraw/zinc/07/42/53/1133074253.db2.gz QZSVRLGWQZXKLP-UHFFFAOYSA-N 1 2 348.855 3.872 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc(Cl)c(C)c1 ZINC000768171730 1133105049 /nfs/dbraw/zinc/10/50/49/1133105049.db2.gz HUKOUSFSSPCZKW-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc(Cl)c(C)c1 ZINC000768171730 1133105055 /nfs/dbraw/zinc/10/50/55/1133105055.db2.gz HUKOUSFSSPCZKW-UHFFFAOYSA-N 1 2 347.846 3.513 20 0 EHADLO C[C@H](C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2)n1cc[nH+]c1 ZINC001177926230 1133114132 /nfs/dbraw/zinc/11/41/32/1133114132.db2.gz FPLZQAMNYKWXMG-MRXNPFEDSA-N 1 2 346.434 3.646 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000768248902 1133117069 /nfs/dbraw/zinc/11/70/69/1133117069.db2.gz JOBOXEPJCVVBPM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000768248902 1133117072 /nfs/dbraw/zinc/11/70/72/1133117072.db2.gz JOBOXEPJCVVBPM-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)c(OC(C)C)c1 ZINC001177999691 1133123211 /nfs/dbraw/zinc/12/32/11/1133123211.db2.gz LLYXCDFYVZSGLL-UHFFFAOYSA-N 1 2 348.468 3.574 20 0 EHADLO CN(C)c1ccc(NCc2cnn(-c3ccc(Cl)cc3)c2)c[nH+]1 ZINC001178143621 1133136097 /nfs/dbraw/zinc/13/60/97/1133136097.db2.gz MJWDNBLBEHGPHH-UHFFFAOYSA-N 1 2 327.819 3.599 20 0 EHADLO Cc1cnc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC001178184003 1133140060 /nfs/dbraw/zinc/14/00/60/1133140060.db2.gz CBXWKLISRSCNFR-UHFFFAOYSA-N 1 2 339.370 3.664 20 0 EHADLO Cc1cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)cnc1Cl ZINC000768531707 1133151114 /nfs/dbraw/zinc/15/11/14/1133151114.db2.gz IKDPKRGOSZJQAQ-CQSZACIVSA-N 1 2 336.785 3.569 20 0 EHADLO Nc1ccc(CCC(=O)OCc2nc(C3CCCCC3)cs2)c[nH+]1 ZINC000768793543 1133184027 /nfs/dbraw/zinc/18/40/27/1133184027.db2.gz QOYVWPBRKZADMF-UHFFFAOYSA-N 1 2 345.468 3.844 20 0 EHADLO FCC(CF)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001178787510 1133199106 /nfs/dbraw/zinc/19/91/06/1133199106.db2.gz XCGMBVBEMHCRST-UHFFFAOYSA-N 1 2 327.378 3.937 20 0 EHADLO CN(C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C(=O)OC(C)(C)C ZINC000768914904 1133202055 /nfs/dbraw/zinc/20/20/55/1133202055.db2.gz JQPHTEYVQSPONO-CQSZACIVSA-N 1 2 349.475 3.631 20 0 EHADLO CN(C[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1)C(=O)OC(C)(C)C ZINC000768914904 1133202060 /nfs/dbraw/zinc/20/20/60/1133202060.db2.gz JQPHTEYVQSPONO-CQSZACIVSA-N 1 2 349.475 3.631 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)NCc3[nH]c4c([nH+]3)CCCC4)c2)c1 ZINC001178922658 1133213363 /nfs/dbraw/zinc/21/33/63/1133213363.db2.gz RUTFEQQDMOVCBN-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO O=C(N[C@@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001178995465 1133219606 /nfs/dbraw/zinc/21/96/06/1133219606.db2.gz YPDLTRLOIPKRMP-IXDOHACOSA-N 1 2 327.472 3.891 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cccc(F)c2OC(F)(F)F)[nH+]1 ZINC001179092620 1133228241 /nfs/dbraw/zinc/22/82/41/1133228241.db2.gz SLMYMAOELCYOEM-UHFFFAOYSA-N 1 2 345.296 3.501 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cccc(F)c2OC(F)(F)F)c[nH+]1 ZINC001179092620 1133228247 /nfs/dbraw/zinc/22/82/47/1133228247.db2.gz SLMYMAOELCYOEM-UHFFFAOYSA-N 1 2 345.296 3.501 20 0 EHADLO COc1ccc(OC(F)F)c(CNc2[nH]c3cccc(OC)c3[nH+]2)c1 ZINC001179494206 1133256631 /nfs/dbraw/zinc/25/66/31/1133256631.db2.gz MRVQBMJSKVZYLO-UHFFFAOYSA-N 1 2 349.337 3.794 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000769416987 1133280579 /nfs/dbraw/zinc/28/05/79/1133280579.db2.gz RTFSGTHIWOZWAT-HIFRSBDPSA-N 1 2 342.430 3.756 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC001179892937 1133292969 /nfs/dbraw/zinc/29/29/69/1133292969.db2.gz WUZAPEQLJTYJGP-MRXNPFEDSA-N 1 2 348.830 3.569 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC001179892937 1133292975 /nfs/dbraw/zinc/29/29/75/1133292975.db2.gz WUZAPEQLJTYJGP-MRXNPFEDSA-N 1 2 348.830 3.569 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)o1 ZINC000769461173 1133295470 /nfs/dbraw/zinc/29/54/70/1133295470.db2.gz QETCMZGJFXAICW-WMLDXEAASA-N 1 2 345.874 3.769 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cnc(F)cc1C)CC2 ZINC001179953724 1133301892 /nfs/dbraw/zinc/30/18/92/1133301892.db2.gz ZESTWVFHGARLTR-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cnc(F)cc1C)CC2 ZINC001179953724 1133301897 /nfs/dbraw/zinc/30/18/97/1133301897.db2.gz ZESTWVFHGARLTR-UHFFFAOYSA-N 1 2 344.430 3.885 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000769525843 1133309135 /nfs/dbraw/zinc/30/91/35/1133309135.db2.gz XMQUTWOQBZJLFN-UHFFFAOYSA-N 1 2 349.496 3.784 20 0 EHADLO CCCCc1oc2ccccc2c1C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000769525843 1133309138 /nfs/dbraw/zinc/30/91/38/1133309138.db2.gz XMQUTWOQBZJLFN-UHFFFAOYSA-N 1 2 349.496 3.784 20 0 EHADLO Cc1ccc(-n2c(Cl)c(C[N@H+](C)CC3CC3)nc2N(C)C)cc1 ZINC001179967034 1133315574 /nfs/dbraw/zinc/31/55/74/1133315574.db2.gz XACFWDRXMSEEQT-UHFFFAOYSA-N 1 2 332.879 3.742 20 0 EHADLO Cc1ccc(-n2c(Cl)c(C[N@@H+](C)CC3CC3)nc2N(C)C)cc1 ZINC001179967034 1133315577 /nfs/dbraw/zinc/31/55/77/1133315577.db2.gz XACFWDRXMSEEQT-UHFFFAOYSA-N 1 2 332.879 3.742 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3ccc(O)c(F)c3F)CC2)cc1 ZINC001180076312 1133325364 /nfs/dbraw/zinc/32/53/64/1133325364.db2.gz DZUFBWZLFJBNCF-UHFFFAOYSA-N 1 2 349.377 3.722 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769765747 1133338724 /nfs/dbraw/zinc/33/87/24/1133338724.db2.gz YBDZOURUDZVOOJ-QBOMHBFWSA-N 1 2 343.858 3.883 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC001180229252 1133347188 /nfs/dbraw/zinc/34/71/88/1133347188.db2.gz IYWKTYHPDGFPSF-HXUWFJFHSA-N 1 2 329.415 3.972 20 0 EHADLO CCOc1cc(F)cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC001180229252 1133347193 /nfs/dbraw/zinc/34/71/93/1133347193.db2.gz IYWKTYHPDGFPSF-HXUWFJFHSA-N 1 2 329.415 3.972 20 0 EHADLO O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180392671 1133364688 /nfs/dbraw/zinc/36/46/88/1133364688.db2.gz VPHHUUHURSTNGU-UHFFFAOYSA-N 1 2 345.446 3.991 20 0 EHADLO C[C@H]([NH2+]Cc1occc1Br)[C@@H](c1ccccc1)N(C)C ZINC000769930970 1133369154 /nfs/dbraw/zinc/36/91/54/1133369154.db2.gz RKZZAZNHAXZBLF-LRDDRELGSA-N 1 2 337.261 3.823 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000770054521 1133382681 /nfs/dbraw/zinc/38/26/81/1133382681.db2.gz ATRJSBKOGLJWPY-AWEZNQCLSA-N 1 2 348.431 3.921 20 0 EHADLO CC(C)CCCCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770079729 1133385203 /nfs/dbraw/zinc/38/52/03/1133385203.db2.gz IFIYUYIFBYLIAQ-KRWDZBQOSA-N 1 2 334.508 3.916 20 0 EHADLO Fc1ccc(Oc2cncc(Cl)c2)c(C[NH2+]Cc2ccno2)c1 ZINC001180698177 1133407694 /nfs/dbraw/zinc/40/76/94/1133407694.db2.gz OKVQUHKLGAMXNI-UHFFFAOYSA-N 1 2 333.750 3.944 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)s1 ZINC000770302500 1133408416 /nfs/dbraw/zinc/40/84/16/1133408416.db2.gz GDQJZIAXXCVMMO-CZUORRHYSA-N 1 2 337.510 3.697 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)s1 ZINC000770302500 1133408417 /nfs/dbraw/zinc/40/84/17/1133408417.db2.gz GDQJZIAXXCVMMO-CZUORRHYSA-N 1 2 337.510 3.697 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350777 1133418641 /nfs/dbraw/zinc/41/86/41/1133418641.db2.gz PIVRWTBQIZIIOF-IINYFYTJSA-N 1 2 340.254 3.551 20 0 EHADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000770350777 1133418644 /nfs/dbraw/zinc/41/86/44/1133418644.db2.gz PIVRWTBQIZIIOF-IINYFYTJSA-N 1 2 340.254 3.551 20 0 EHADLO Cc1csc2nc(C)c(C[N@H+]3Cc4ccccc4OC[C@H]3C)n12 ZINC001180810351 1133418768 /nfs/dbraw/zinc/41/87/68/1133418768.db2.gz LKOHRKGAALMDOS-GFCCVEGCSA-N 1 2 327.453 3.796 20 0 EHADLO Cc1csc2nc(C)c(C[N@@H+]3Cc4ccccc4OC[C@H]3C)n12 ZINC001180810351 1133418771 /nfs/dbraw/zinc/41/87/71/1133418771.db2.gz LKOHRKGAALMDOS-GFCCVEGCSA-N 1 2 327.453 3.796 20 0 EHADLO Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(OCC(F)(F)F)c1 ZINC000770411431 1133425229 /nfs/dbraw/zinc/42/52/29/1133425229.db2.gz IAKVZSAFLFLYCX-UHFFFAOYSA-N 1 2 349.312 3.836 20 0 EHADLO CCOC(=O)[C@@H](CCOC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001180954471 1133436116 /nfs/dbraw/zinc/43/61/16/1133436116.db2.gz WUXJSGOEMGUMSC-OKZBNKHCSA-N 1 2 333.472 3.517 20 0 EHADLO CCOc1cc(/C=C\C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1O ZINC000770472536 1133437916 /nfs/dbraw/zinc/43/79/16/1133437916.db2.gz BZAHPTLQGZMBPM-NTMALXAHSA-N 1 2 349.390 3.629 20 0 EHADLO CCCCCC[N@H+](CCN1CCOCC1)Cc1ncc(Cl)s1 ZINC000770632054 1133451125 /nfs/dbraw/zinc/45/11/25/1133451125.db2.gz JSWXYORYWUVLES-UHFFFAOYSA-N 1 2 345.940 3.511 20 0 EHADLO CCCCCC[N@@H+](CCN1CCOCC1)Cc1ncc(Cl)s1 ZINC000770632054 1133451130 /nfs/dbraw/zinc/45/11/30/1133451130.db2.gz JSWXYORYWUVLES-UHFFFAOYSA-N 1 2 345.940 3.511 20 0 EHADLO Cn1c[nH+]cc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000770603790 1133452192 /nfs/dbraw/zinc/45/21/92/1133452192.db2.gz ZSEFIVUWQMFHOV-MLPAPPSSSA-N 1 2 344.720 3.763 20 0 EHADLO c1nc(C[NH2+]Cc2cccc3c2OCCO3)sc1-c1ccccc1 ZINC000770733670 1133467500 /nfs/dbraw/zinc/46/75/00/1133467500.db2.gz IDULYFGRPAMLIZ-UHFFFAOYSA-N 1 2 338.432 3.871 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)C1 ZINC001181359602 1133480445 /nfs/dbraw/zinc/48/04/45/1133480445.db2.gz CXIBDCSLYGXAQK-ZBFHGGJFSA-N 1 2 345.874 3.680 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cc(F)cc(Br)c1 ZINC000770921800 1133484553 /nfs/dbraw/zinc/48/45/53/1133484553.db2.gz VDSGRDWHZMZQMI-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925799 1133485593 /nfs/dbraw/zinc/48/55/93/1133485593.db2.gz OTKMYZLBAMRAPI-OIISXLGYSA-N 1 2 330.428 3.751 20 0 EHADLO O=C(Cc1ccccc1C(F)(F)F)OCc1cccc2[nH+]ccn21 ZINC000770924874 1133485832 /nfs/dbraw/zinc/48/58/32/1133485832.db2.gz JKWFZQSVDKEFHQ-UHFFFAOYSA-N 1 2 334.297 3.639 20 0 EHADLO CCCCCC[C@](C)(CCC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771034075 1133501997 /nfs/dbraw/zinc/50/19/97/1133501997.db2.gz PTCMQVCKXUZFRH-ICSRJNTNSA-N 1 2 338.536 3.696 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(SC(F)F)nc3)[nH+]c12 ZINC000771470415 1133559051 /nfs/dbraw/zinc/55/90/51/1133559051.db2.gz UTPDVFWHFMCIBZ-UHFFFAOYSA-N 1 2 348.378 3.534 20 0 EHADLO O=C(NCCc1c(F)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152089577 1133579856 /nfs/dbraw/zinc/57/98/56/1133579856.db2.gz FYYPDKUPBIAYSY-UHFFFAOYSA-N 1 2 343.789 3.637 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1Cl ZINC001182219173 1133598112 /nfs/dbraw/zinc/59/81/12/1133598112.db2.gz ONZFZSOSUWPHRV-KRWDZBQOSA-N 1 2 346.862 3.962 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1Cl ZINC001182222944 1133598596 /nfs/dbraw/zinc/59/85/96/1133598596.db2.gz GZGVSTZIIWQOAR-ZFZWDLNGSA-N 1 2 338.854 3.539 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1Cl ZINC001182220894 1133598987 /nfs/dbraw/zinc/59/89/87/1133598987.db2.gz GCICVVOPGYMTTL-ZDUSSCGKSA-N 1 2 348.796 3.934 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)N(C)c1ccccc1N)c1ccccc1Cl ZINC001182222816 1133599168 /nfs/dbraw/zinc/59/91/68/1133599168.db2.gz WXPBSTZDSXDACC-SFHVURJKSA-N 1 2 345.874 3.968 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cnc(-c2ccccc2Cl)s1 ZINC000771938243 1133617796 /nfs/dbraw/zinc/61/77/96/1133617796.db2.gz ORNGXQYYBASTGU-UHFFFAOYSA-N 1 2 333.800 3.517 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000771959190 1133620501 /nfs/dbraw/zinc/62/05/01/1133620501.db2.gz PUMGOFKKRBLIQN-OLZOCXBDSA-N 1 2 325.195 3.537 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000771984928 1133623904 /nfs/dbraw/zinc/62/39/04/1133623904.db2.gz TWLRTBPEYANSIA-UHFFFAOYSA-N 1 2 343.770 3.581 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C/Sc3ccccc3)[nH+]c12 ZINC000746539605 1133685369 /nfs/dbraw/zinc/68/53/69/1133685369.db2.gz LOWRRWTVIBJFCA-JLHYYAGUSA-N 1 2 337.448 3.607 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1C(=O)OC(C)(C)C ZINC001182567136 1133700178 /nfs/dbraw/zinc/70/01/78/1133700178.db2.gz TXDFUKIRRYHTBL-YPMHNXCESA-N 1 2 343.389 3.904 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1C(=O)OC(C)(C)C ZINC001182567136 1133700179 /nfs/dbraw/zinc/70/01/79/1133700179.db2.gz TXDFUKIRRYHTBL-YPMHNXCESA-N 1 2 343.389 3.904 20 0 EHADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1occc1Br ZINC000785552481 1133721436 /nfs/dbraw/zinc/72/14/36/1133721436.db2.gz UFKIRFGLRWAEAR-LBPRGKRZSA-N 1 2 326.165 3.795 20 0 EHADLO Cc1c[nH]c(CCNC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)[nH+]1 ZINC001182737933 1133726984 /nfs/dbraw/zinc/72/69/84/1133726984.db2.gz HYAQKWCMLFRAHN-INIZCTEOSA-N 1 2 349.434 3.973 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000774545740 1133729913 /nfs/dbraw/zinc/72/99/13/1133729913.db2.gz FFVUTJHBZOJAJB-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000774545740 1133729918 /nfs/dbraw/zinc/72/99/18/1133729918.db2.gz FFVUTJHBZOJAJB-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO CCCCOc1c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)ccc(F)c1F ZINC001182852172 1133742629 /nfs/dbraw/zinc/74/26/29/1133742629.db2.gz RJWZPKUKAHYCPC-AWEZNQCLSA-N 1 2 326.387 3.565 20 0 EHADLO CCCCOc1c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)ccc(F)c1F ZINC001182852172 1133742633 /nfs/dbraw/zinc/74/26/33/1133742633.db2.gz RJWZPKUKAHYCPC-AWEZNQCLSA-N 1 2 326.387 3.565 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710083 1133745744 /nfs/dbraw/zinc/74/57/44/1133745744.db2.gz BUSDPVDSICQOLU-VQTJNVASSA-N 1 2 341.451 3.872 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710083 1133745750 /nfs/dbraw/zinc/74/57/50/1133745750.db2.gz BUSDPVDSICQOLU-VQTJNVASSA-N 1 2 341.451 3.872 20 0 EHADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccnc1F ZINC001182937097 1133753427 /nfs/dbraw/zinc/75/34/27/1133753427.db2.gz UDYUULLVLQMNLU-UHFFFAOYSA-N 1 2 349.409 3.862 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC001182990816 1133754127 /nfs/dbraw/zinc/75/41/27/1133754127.db2.gz TWYIVWOGYSPMMR-KRWDZBQOSA-N 1 2 325.330 3.942 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC001182990816 1133754132 /nfs/dbraw/zinc/75/41/32/1133754132.db2.gz TWYIVWOGYSPMMR-KRWDZBQOSA-N 1 2 325.330 3.942 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1ccccc1CC(F)(F)F)CCO2 ZINC001183026129 1133762109 /nfs/dbraw/zinc/76/21/09/1133762109.db2.gz XJNZGANUMRSODJ-UHFFFAOYSA-N 1 2 337.341 3.892 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1ccccc1CC(F)(F)F)CCO2 ZINC001183026129 1133762115 /nfs/dbraw/zinc/76/21/15/1133762115.db2.gz XJNZGANUMRSODJ-UHFFFAOYSA-N 1 2 337.341 3.892 20 0 EHADLO CCOC[C@@H]1C[N@H+](C/C(C)=C\c2ccccc2C(F)(F)F)CCO1 ZINC001183248600 1133785916 /nfs/dbraw/zinc/78/59/16/1133785916.db2.gz POIFQHHHPUMQTK-DNXIFWLFSA-N 1 2 343.389 3.846 20 0 EHADLO CCOC[C@@H]1C[N@@H+](C/C(C)=C\c2ccccc2C(F)(F)F)CCO1 ZINC001183248600 1133785920 /nfs/dbraw/zinc/78/59/20/1133785920.db2.gz POIFQHHHPUMQTK-DNXIFWLFSA-N 1 2 343.389 3.846 20 0 EHADLO COc1cccc(CN2CC[NH+](Cc3cc4c(cccc4C)[nH]3)CC2)c1 ZINC001183407992 1133800196 /nfs/dbraw/zinc/80/01/96/1133800196.db2.gz IJGMYVZSURZLOV-UHFFFAOYSA-N 1 2 349.478 3.803 20 0 EHADLO Cc1cc(N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c[nH+]c1C ZINC001183526118 1133814576 /nfs/dbraw/zinc/81/45/76/1133814576.db2.gz KXYYQEMYTGJXQI-SFHVURJKSA-N 1 2 339.439 3.912 20 0 EHADLO O[C@H](C[N@@H+]1CCc2c(F)cc(F)cc2C1)c1ccc(F)cc1Cl ZINC000774645349 1133821557 /nfs/dbraw/zinc/82/15/57/1133821557.db2.gz JGWLIIJKKZKVSI-QGZVFWFLSA-N 1 2 341.760 3.849 20 0 EHADLO O[C@H](C[N@H+]1CCc2c(F)cc(F)cc2C1)c1ccc(F)cc1Cl ZINC000774645349 1133821565 /nfs/dbraw/zinc/82/15/65/1133821565.db2.gz JGWLIIJKKZKVSI-QGZVFWFLSA-N 1 2 341.760 3.849 20 0 EHADLO Cc1ccc([C@@H]2CC(=O)N(C[N@@H+]3Cc4ccccc4C4(CC4)C3)C2)cc1 ZINC000774671526 1133845586 /nfs/dbraw/zinc/84/55/86/1133845586.db2.gz QPZZHDPATZXXJI-HXUWFJFHSA-N 1 2 346.474 3.816 20 0 EHADLO Cc1ccc([C@@H]2CC(=O)N(C[N@H+]3Cc4ccccc4C4(CC4)C3)C2)cc1 ZINC000774671526 1133845591 /nfs/dbraw/zinc/84/55/91/1133845591.db2.gz QPZZHDPATZXXJI-HXUWFJFHSA-N 1 2 346.474 3.816 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786473165 1133852041 /nfs/dbraw/zinc/85/20/41/1133852041.db2.gz ZBUACFOVIWKNDW-VXGBXAGGSA-N 1 2 332.812 3.896 20 0 EHADLO C[C@H](c1cccc2ccccc21)N(C)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183935950 1133874206 /nfs/dbraw/zinc/87/42/06/1133874206.db2.gz LVVYWZJAHJKLMZ-OAHLLOKOSA-N 1 2 333.435 3.969 20 0 EHADLO Cc1cc(Oc2ccccc2)ncc1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929273 1133880255 /nfs/dbraw/zinc/88/02/55/1133880255.db2.gz MXLNJLBQKISPNG-UHFFFAOYSA-N 1 2 348.406 3.731 20 0 EHADLO Cn1ccc(C[N@H+](C)Cc2cccc(Oc3ccc(F)cc3)c2)n1 ZINC001184291714 1133925806 /nfs/dbraw/zinc/92/58/06/1133925806.db2.gz SIUCHPJUYBKPHO-UHFFFAOYSA-N 1 2 325.387 3.984 20 0 EHADLO Cn1ccc(C[N@@H+](C)Cc2cccc(Oc3ccc(F)cc3)c2)n1 ZINC001184291714 1133925809 /nfs/dbraw/zinc/92/58/09/1133925809.db2.gz SIUCHPJUYBKPHO-UHFFFAOYSA-N 1 2 325.387 3.984 20 0 EHADLO Cc1cc2c(cc1C)[C@@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000786961631 1133926477 /nfs/dbraw/zinc/92/64/77/1133926477.db2.gz PWNCEORRSXSXIK-IBGZPJMESA-N 1 2 348.402 3.709 20 0 EHADLO Cn1nc(Br)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000787076659 1133946174 /nfs/dbraw/zinc/94/61/74/1133946174.db2.gz DPZJRGSMSBACRL-UHFFFAOYSA-N 1 2 334.261 3.562 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(C(C)(C)C)ccn1 ZINC001184554004 1133955908 /nfs/dbraw/zinc/95/59/08/1133955908.db2.gz DWHXQKQUMQNEOR-UHFFFAOYSA-N 1 2 348.450 3.837 20 0 EHADLO CC(C)c1cc(N(C)C[C@@H]2COc3ccccc3O2)nc(C(C)C)[nH+]1 ZINC001184515981 1133956407 /nfs/dbraw/zinc/95/64/07/1133956407.db2.gz JBJQXRFGXWIFEM-OAHLLOKOSA-N 1 2 341.455 4.000 20 0 EHADLO C[N@H+](Cn1nc2c(cc1=O)CCCC2)C1CCC(C(C)(C)C)CC1 ZINC000746662249 1133971016 /nfs/dbraw/zinc/97/10/16/1133971016.db2.gz XJMDNRGHCPAMED-UHFFFAOYSA-N 1 2 331.504 3.616 20 0 EHADLO C[N@@H+](Cn1nc2c(cc1=O)CCCC2)C1CCC(C(C)(C)C)CC1 ZINC000746662249 1133971018 /nfs/dbraw/zinc/97/10/18/1133971018.db2.gz XJMDNRGHCPAMED-UHFFFAOYSA-N 1 2 331.504 3.616 20 0 EHADLO Cn1nc(Br)cc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000787289887 1133983884 /nfs/dbraw/zinc/98/38/84/1133983884.db2.gz MPBVMRIPRXOJAS-UHFFFAOYSA-N 1 2 346.631 3.607 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2ccc[nH+]c2N2CCCC2)c1OC ZINC001184967406 1134008042 /nfs/dbraw/zinc/00/80/42/1134008042.db2.gz BTLGNDWVKXJCAG-UHFFFAOYSA-N 1 2 341.411 3.645 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2O1 ZINC000787552738 1134015791 /nfs/dbraw/zinc/01/57/91/1134015791.db2.gz HAQBXZZOGIONNG-UHFFFAOYSA-N 1 2 337.379 3.874 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ncccc1C1CCC1 ZINC001185265724 1134059668 /nfs/dbraw/zinc/05/96/68/1134059668.db2.gz LIIRTENYZXLOKB-UHFFFAOYSA-N 1 2 346.434 3.807 20 0 EHADLO OCC[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000774856116 1134064920 /nfs/dbraw/zinc/06/49/20/1134064920.db2.gz PIIFAKKLYBTZOE-NSHDSACASA-N 1 2 331.284 3.595 20 0 EHADLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185454000 1134090451 /nfs/dbraw/zinc/09/04/51/1134090451.db2.gz HZDRJZNKZYAYAO-UHFFFAOYSA-N 1 2 346.477 3.764 20 0 EHADLO CCc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc(CC)[nH+]1 ZINC001185459390 1134090980 /nfs/dbraw/zinc/09/09/80/1134090980.db2.gz FPLQWTIURXDBCY-UHFFFAOYSA-N 1 2 348.491 3.849 20 0 EHADLO CC[C@H](SC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245480 1134100421 /nfs/dbraw/zinc/10/04/21/1134100421.db2.gz RIBQDWULYDFGKH-BBRMVZONSA-N 1 2 335.517 3.573 20 0 EHADLO CC[C@H](SC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245480 1134100422 /nfs/dbraw/zinc/10/04/22/1134100422.db2.gz RIBQDWULYDFGKH-BBRMVZONSA-N 1 2 335.517 3.573 20 0 EHADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001170086749 1134149030 /nfs/dbraw/zinc/14/90/30/1134149030.db2.gz WMSKKMUSFQQXMY-CQSZACIVSA-N 1 2 328.815 3.532 20 0 EHADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001170086749 1134149033 /nfs/dbraw/zinc/14/90/33/1134149033.db2.gz WMSKKMUSFQQXMY-CQSZACIVSA-N 1 2 328.815 3.532 20 0 EHADLO Cc1cc(N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1[NH+](C)C ZINC000788725548 1134163170 /nfs/dbraw/zinc/16/31/70/1134163170.db2.gz HVEIPZDUGZPZAC-AWEZNQCLSA-N 1 2 333.476 3.728 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001186279922 1134192684 /nfs/dbraw/zinc/19/26/84/1134192684.db2.gz RXIGDYXWARGDLU-UHFFFAOYSA-N 1 2 348.450 3.632 20 0 EHADLO Cc1nc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001186557133 1134232076 /nfs/dbraw/zinc/23/20/76/1134232076.db2.gz QUKWEOXMGDJQLQ-ZDUSSCGKSA-N 1 2 348.491 3.769 20 0 EHADLO CCSCc1cc[nH+]c(NCCCNC(=O)OC(C)(C)C)c1 ZINC000775037603 1134237224 /nfs/dbraw/zinc/23/72/24/1134237224.db2.gz AWULZWSOUXVRON-UHFFFAOYSA-N 1 2 325.478 3.661 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001186623124 1134237325 /nfs/dbraw/zinc/23/73/25/1134237325.db2.gz PWIYUOWWFSBBDJ-UHFFFAOYSA-N 1 2 340.732 3.917 20 0 EHADLO Clc1cccc(CC[N@@H+]2CCCC[C@H]2C2OCCO2)c1Cl ZINC000789299123 1134250742 /nfs/dbraw/zinc/25/07/42/1134250742.db2.gz MQXVGSJBWYOHBC-AWEZNQCLSA-N 1 2 330.255 3.763 20 0 EHADLO Clc1cccc(CC[N@H+]2CCCC[C@H]2C2OCCO2)c1Cl ZINC000789299123 1134250746 /nfs/dbraw/zinc/25/07/46/1134250746.db2.gz MQXVGSJBWYOHBC-AWEZNQCLSA-N 1 2 330.255 3.763 20 0 EHADLO CSc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001186722325 1134253629 /nfs/dbraw/zinc/25/36/29/1134253629.db2.gz YHJQEEOVRDWVDC-UHFFFAOYSA-N 1 2 343.452 3.879 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1NCc1ccccc1-c1cccnc1 ZINC001170107504 1134273422 /nfs/dbraw/zinc/27/34/22/1134273422.db2.gz DZYKXRQFAQUVGA-UHFFFAOYSA-N 1 2 349.390 3.551 20 0 EHADLO Cc1nc(N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c2c([nH+]1)CCCC2 ZINC001186973407 1134280200 /nfs/dbraw/zinc/28/02/00/1134280200.db2.gz HCWIOJBLWNTZNZ-QXAKKESOSA-N 1 2 329.488 3.574 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000789773081 1134337349 /nfs/dbraw/zinc/33/73/49/1134337349.db2.gz SMEOVRDPFAURPF-QWHCGFSZSA-N 1 2 339.222 3.616 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2occc2C(C)C)[nH+]1 ZINC000790106990 1134368648 /nfs/dbraw/zinc/36/86/48/1134368648.db2.gz HVBDXQRADMUYDD-UHFFFAOYSA-N 1 2 331.412 3.913 20 0 EHADLO Cc1cc(NCC[C@@H](NC2CC2)C(F)(F)F)nc(C2CCC2)[nH+]1 ZINC001187841765 1134388573 /nfs/dbraw/zinc/38/85/73/1134388573.db2.gz MJJGDUBIUAKEKR-CYBMUJFWSA-N 1 2 328.382 3.537 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1ccccn1 ZINC000790495004 1134426277 /nfs/dbraw/zinc/42/62/77/1134426277.db2.gz HFSYDKTWGPFIRS-AWEZNQCLSA-N 1 2 326.831 3.831 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000790677218 1134449144 /nfs/dbraw/zinc/44/91/44/1134449144.db2.gz AMYFAXYMKFPZLP-UHFFFAOYSA-N 1 2 338.442 3.687 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000790677218 1134449146 /nfs/dbraw/zinc/44/91/46/1134449146.db2.gz AMYFAXYMKFPZLP-UHFFFAOYSA-N 1 2 338.442 3.687 20 0 EHADLO CCOc1c(Cl)cccc1CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000790807408 1134462046 /nfs/dbraw/zinc/46/20/46/1134462046.db2.gz FBXRMTPWSIATCR-UHFFFAOYSA-N 1 2 347.846 3.689 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@H](C)c1ccc(N)cc1 ZINC000791448273 1134552790 /nfs/dbraw/zinc/55/27/90/1134552790.db2.gz QQTAYDCRBKJXME-INIZCTEOSA-N 1 2 349.434 4.000 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(Cl)nc1C ZINC000791425070 1134555514 /nfs/dbraw/zinc/55/55/14/1134555514.db2.gz DHFXIVBYFBQPIF-UHFFFAOYSA-N 1 2 341.798 3.895 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000156956049 1134613507 /nfs/dbraw/zinc/61/35/07/1134613507.db2.gz DDKAUDBXADTGQO-INIZCTEOSA-N 1 2 330.403 3.680 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000156956049 1134613513 /nfs/dbraw/zinc/61/35/13/1134613513.db2.gz DDKAUDBXADTGQO-INIZCTEOSA-N 1 2 330.403 3.680 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791838985 1134618143 /nfs/dbraw/zinc/61/81/43/1134618143.db2.gz PQNRDWFZUDBITP-RYUDHWBXSA-N 1 2 337.206 3.818 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1Cl)[C@H]2C ZINC001170274374 1134729679 /nfs/dbraw/zinc/72/96/79/1134729679.db2.gz QQVKSHXJZQBGAC-KBPBESRZSA-N 1 2 333.863 3.691 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)[C@H]2C ZINC001170274374 1134729683 /nfs/dbraw/zinc/72/96/83/1134729683.db2.gz QQVKSHXJZQBGAC-KBPBESRZSA-N 1 2 333.863 3.691 20 0 EHADLO CCCCNC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001190640666 1134730675 /nfs/dbraw/zinc/73/06/75/1134730675.db2.gz FEVPDBMCSZYSRL-UHFFFAOYSA-N 1 2 341.858 3.543 20 0 EHADLO O=C(Nc1ccccc1OC(F)(F)F)Nc1cccc2[nH+]ccn21 ZINC001190649161 1134731506 /nfs/dbraw/zinc/73/15/06/1134731506.db2.gz YHADYXLYZPYRQK-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH+]ccn21 ZINC001190709636 1134734987 /nfs/dbraw/zinc/73/49/87/1134734987.db2.gz AKHHBTIBUFEMRS-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000792645342 1134758622 /nfs/dbraw/zinc/75/86/22/1134758622.db2.gz LNZGKSPLQQLSAO-LJQANCHMSA-N 1 2 346.386 3.676 20 0 EHADLO FC(F)(F)Oc1ccccc1C[N@H+](Cc1cnon1)C1CCCC1 ZINC001190912904 1134769430 /nfs/dbraw/zinc/76/94/30/1134769430.db2.gz GFFWKEPPYAADTB-UHFFFAOYSA-N 1 2 341.333 3.913 20 0 EHADLO FC(F)(F)Oc1ccccc1C[N@@H+](Cc1cnon1)C1CCCC1 ZINC001190912904 1134769437 /nfs/dbraw/zinc/76/94/37/1134769437.db2.gz GFFWKEPPYAADTB-UHFFFAOYSA-N 1 2 341.333 3.913 20 0 EHADLO COc1ccc2c(c1)C[C@@H](Nc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC001170415110 1134774182 /nfs/dbraw/zinc/77/41/82/1134774182.db2.gz XBCKVVQMHLEWRW-FQEVSTJZSA-N 1 2 333.435 3.909 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000792707997 1134783236 /nfs/dbraw/zinc/78/32/36/1134783236.db2.gz QRUGBRLRTCNZCL-DNVCBOLYSA-N 1 2 326.415 3.743 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000792707997 1134783239 /nfs/dbraw/zinc/78/32/39/1134783239.db2.gz QRUGBRLRTCNZCL-DNVCBOLYSA-N 1 2 326.415 3.743 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](OC)c2ccc(F)cc2)o1 ZINC001191122901 1134798034 /nfs/dbraw/zinc/79/80/34/1134798034.db2.gz STZIVSMBGYHMPJ-IEBWSBKVSA-N 1 2 333.403 3.742 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](OC)c2ccc(F)cc2)o1 ZINC001191122901 1134798037 /nfs/dbraw/zinc/79/80/37/1134798037.db2.gz STZIVSMBGYHMPJ-IEBWSBKVSA-N 1 2 333.403 3.742 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792904804 1134819518 /nfs/dbraw/zinc/81/95/18/1134819518.db2.gz LPKYWPRVRPJARX-HIFRSBDPSA-N 1 2 346.229 3.628 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792904804 1134819521 /nfs/dbraw/zinc/81/95/21/1134819521.db2.gz LPKYWPRVRPJARX-HIFRSBDPSA-N 1 2 346.229 3.628 20 0 EHADLO C[C@@H](C[NH2+][C@@H](CCc1ccccc1)C(F)F)NC(=O)OC(C)(C)C ZINC000793216297 1134874586 /nfs/dbraw/zinc/87/45/86/1134874586.db2.gz XHXIAJOYPQMKRN-ZFWWWQNUSA-N 1 2 342.430 3.756 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000775460056 1134876264 /nfs/dbraw/zinc/87/62/64/1134876264.db2.gz RUSDVJIVHYTOKP-AWEZNQCLSA-N 1 2 336.451 3.714 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000793252616 1134890818 /nfs/dbraw/zinc/89/08/18/1134890818.db2.gz HXFXEUUIWUKLOE-UHFFFAOYSA-N 1 2 348.830 3.794 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@@H]2CCC[C@@H](C)C2)Cc2ccccc2C1 ZINC001191764069 1134910577 /nfs/dbraw/zinc/91/05/77/1134910577.db2.gz OGBSUEKCRSZIHM-SJORKVTESA-N 1 2 329.484 3.893 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3ccc(Cl)c(C)c3)n2c1 ZINC001191771329 1134911475 /nfs/dbraw/zinc/91/14/75/1134911475.db2.gz WZTQTBYIWBKGPA-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2csc(CCc3ccccc3)n2)n(C)n1 ZINC000793534309 1134949554 /nfs/dbraw/zinc/94/95/54/1134949554.db2.gz OULXUHFUAJSJAP-HNNXBMFYSA-N 1 2 340.496 3.821 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1Cl ZINC000793558394 1134957670 /nfs/dbraw/zinc/95/76/70/1134957670.db2.gz SKYWCRZSXNTNAQ-NWDGAFQWSA-N 1 2 349.866 3.860 20 0 EHADLO Cc1nn(C[NH+]2CCC(C3CC3)CC2)c(=S)n1Cc1ccccc1 ZINC000793630950 1134975624 /nfs/dbraw/zinc/97/56/24/1134975624.db2.gz MERPAHRBWZKKRZ-UHFFFAOYSA-N 1 2 342.512 3.850 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000775537833 1135038622 /nfs/dbraw/zinc/03/86/22/1135038622.db2.gz QFMDANLEOLISQI-GOEBONIOSA-N 1 2 329.444 3.625 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000804546761 1135111679 /nfs/dbraw/zinc/11/16/79/1135111679.db2.gz UHVYYLJPOQHRLE-MRXNPFEDSA-N 1 2 336.439 3.935 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000804546761 1135111680 /nfs/dbraw/zinc/11/16/80/1135111680.db2.gz UHVYYLJPOQHRLE-MRXNPFEDSA-N 1 2 336.439 3.935 20 0 EHADLO CC(C)(C)c1cccc(OCCC[N@@H+]2CC[S@@](=O)CC2(C)C)c1 ZINC001193459185 1135138707 /nfs/dbraw/zinc/13/87/07/1135138707.db2.gz BOSQLMFPIRBVJK-HSZRJFAPSA-N 1 2 337.529 3.596 20 0 EHADLO CC(C)(C)c1cccc(OCCC[N@H+]2CC[S@@](=O)CC2(C)C)c1 ZINC001193459185 1135138710 /nfs/dbraw/zinc/13/87/10/1135138710.db2.gz BOSQLMFPIRBVJK-HSZRJFAPSA-N 1 2 337.529 3.596 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1Cl)OC1CCCC1 ZINC001193590043 1135155841 /nfs/dbraw/zinc/15/58/41/1135155841.db2.gz MPNVTRXUGOVBLJ-UHFFFAOYSA-N 1 2 333.819 3.754 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001193588985 1135156013 /nfs/dbraw/zinc/15/60/13/1135156013.db2.gz LHZPOJMGSYDVKF-UHFFFAOYSA-N 1 2 341.436 3.625 20 0 EHADLO CCCCCOC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001193768051 1135184644 /nfs/dbraw/zinc/18/46/44/1135184644.db2.gz CHMAUMLUNXOBFI-UHFFFAOYSA-N 1 2 333.476 3.563 20 0 EHADLO CC(C)COC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001193860070 1135197050 /nfs/dbraw/zinc/19/70/50/1135197050.db2.gz UAPJALAJTPWXEO-AWEZNQCLSA-N 1 2 333.259 3.978 20 0 EHADLO CCCOc1nc2ccccc2cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001130047221 1135227057 /nfs/dbraw/zinc/22/70/57/1135227057.db2.gz YOZZNIOBDAWHHK-UHFFFAOYSA-N 1 2 349.434 3.965 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001194123011 1135229171 /nfs/dbraw/zinc/22/91/71/1135229171.db2.gz DYUHBKUFCUKTCY-CYBMUJFWSA-N 1 2 330.881 3.844 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001194123011 1135229173 /nfs/dbraw/zinc/22/91/73/1135229173.db2.gz DYUHBKUFCUKTCY-CYBMUJFWSA-N 1 2 330.881 3.844 20 0 EHADLO CCCOC(=O)NCc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1 ZINC001194150507 1135234262 /nfs/dbraw/zinc/23/42/62/1135234262.db2.gz VHERHWRSGDUPMN-UHFFFAOYSA-N 1 2 341.333 3.586 20 0 EHADLO Cc1n[nH]cc1C1CC[NH+](Cc2nccc(Cl)c2Cl)CC1 ZINC001194301058 1135254566 /nfs/dbraw/zinc/25/45/66/1135254566.db2.gz UWWXAZYVXDHSLQ-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1ccc(OC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001194427204 1135266794 /nfs/dbraw/zinc/26/67/94/1135266794.db2.gz WJCGKGWQUAJXDX-VMPITWQZSA-N 1 2 336.435 3.825 20 0 EHADLO CC1(C)Cc2nc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)sc2C(C)(C)C1 ZINC001194477767 1135276865 /nfs/dbraw/zinc/27/68/65/1135276865.db2.gz QFGLEKDEHLLUAJ-KRWDZBQOSA-N 1 2 344.471 3.595 20 0 EHADLO CC1(C)Cc2nc(C[N@H+]3CC[C@@](O)(C(F)F)C3)sc2C(C)(C)C1 ZINC001194477767 1135276872 /nfs/dbraw/zinc/27/68/72/1135276872.db2.gz QFGLEKDEHLLUAJ-KRWDZBQOSA-N 1 2 344.471 3.595 20 0 EHADLO Clc1cc(Cl)c2nc(C[N@@H+]3CCSC[C@H]3C3CC3)cn2c1 ZINC001194519674 1135278140 /nfs/dbraw/zinc/27/81/40/1135278140.db2.gz RUMJFUFTVHVSEH-AWEZNQCLSA-N 1 2 342.295 3.969 20 0 EHADLO Clc1cc(Cl)c2nc(C[N@H+]3CCSC[C@H]3C3CC3)cn2c1 ZINC001194519674 1135278142 /nfs/dbraw/zinc/27/81/42/1135278142.db2.gz RUMJFUFTVHVSEH-AWEZNQCLSA-N 1 2 342.295 3.969 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)Oc1ccc2ccccc2c1 ZINC001194677131 1135304146 /nfs/dbraw/zinc/30/41/46/1135304146.db2.gz KSBQFCYWFRMYGO-QGZVFWFLSA-N 1 2 333.391 3.602 20 0 EHADLO O[C@H](C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781506 1135325820 /nfs/dbraw/zinc/32/58/20/1135325820.db2.gz SHJIUEFGVLXAPV-IAGOWNOFSA-N 1 2 345.418 3.737 20 0 EHADLO O[C@H](C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781506 1135325826 /nfs/dbraw/zinc/32/58/26/1135325826.db2.gz SHJIUEFGVLXAPV-IAGOWNOFSA-N 1 2 345.418 3.737 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)c(C)c1OC ZINC000805833027 1135331520 /nfs/dbraw/zinc/33/15/20/1135331520.db2.gz QORUUFLRYPQJJV-LBPRGKRZSA-N 1 2 333.432 3.544 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC001194895406 1135337218 /nfs/dbraw/zinc/33/72/18/1135337218.db2.gz SDIQGTMTWZSRJU-KRWDZBQOSA-N 1 2 349.409 3.856 20 0 EHADLO C[C@H](C[N@H+](C)Cc1c(Cl)cncc1Cl)C(=O)OC(C)(C)C ZINC001194963391 1135346429 /nfs/dbraw/zinc/34/64/29/1135346429.db2.gz KDFLKIQNYFHBLU-SNVBAGLBSA-N 1 2 333.259 3.798 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1c(Cl)cncc1Cl)C(=O)OC(C)(C)C ZINC001194963391 1135346433 /nfs/dbraw/zinc/34/64/33/1135346433.db2.gz KDFLKIQNYFHBLU-SNVBAGLBSA-N 1 2 333.259 3.798 20 0 EHADLO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000101567279 1135354440 /nfs/dbraw/zinc/35/44/40/1135354440.db2.gz OLRJWHQBZWOTMD-UHFFFAOYSA-N 1 2 346.377 3.672 20 0 EHADLO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000101567279 1135354446 /nfs/dbraw/zinc/35/44/46/1135354446.db2.gz OLRJWHQBZWOTMD-UHFFFAOYSA-N 1 2 346.377 3.672 20 0 EHADLO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)o1 ZINC001203300508 1135394606 /nfs/dbraw/zinc/39/46/06/1135394606.db2.gz LVSJGXQZNYCFTE-QGZVFWFLSA-N 1 2 338.373 3.837 20 0 EHADLO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)o1 ZINC001203300508 1135394613 /nfs/dbraw/zinc/39/46/13/1135394613.db2.gz LVSJGXQZNYCFTE-QGZVFWFLSA-N 1 2 338.373 3.837 20 0 EHADLO CCCc1ccc(-c2ccc(C(=O)NCCn3cc[nH+]c3)cc2)cc1 ZINC001195367209 1135417435 /nfs/dbraw/zinc/41/74/35/1135417435.db2.gz SRTMJWNRYJFCIT-UHFFFAOYSA-N 1 2 333.435 3.933 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](C[C@H](O)c1cccc(Cl)c1)C1CCC1 ZINC001195638929 1135445904 /nfs/dbraw/zinc/44/59/04/1135445904.db2.gz QIJNKSNTFCLDRF-INIZCTEOSA-N 1 2 339.863 3.570 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C1CCC1 ZINC001195638929 1135445905 /nfs/dbraw/zinc/44/59/05/1135445905.db2.gz QIJNKSNTFCLDRF-INIZCTEOSA-N 1 2 339.863 3.570 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000775670862 1135468049 /nfs/dbraw/zinc/46/80/49/1135468049.db2.gz QVAGAYDVVVNAQT-QGZVFWFLSA-N 1 2 345.491 3.594 20 0 EHADLO Cc1cccn2c([C@H](C)NC(=S)Nc3ccccc3F)c[nH+]c12 ZINC001195796083 1135471321 /nfs/dbraw/zinc/47/13/21/1135471321.db2.gz FAICHYAELPRMCO-LBPRGKRZSA-N 1 2 328.416 3.829 20 0 EHADLO Fc1cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)ccn1 ZINC001195902027 1135482852 /nfs/dbraw/zinc/48/28/52/1135482852.db2.gz HAKJDZFSHNTPLC-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Fc1cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)ccn1 ZINC001195902027 1135482854 /nfs/dbraw/zinc/48/28/54/1135482854.db2.gz HAKJDZFSHNTPLC-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Cc1sc(Br)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001195956751 1135500567 /nfs/dbraw/zinc/50/05/67/1135500567.db2.gz OYOUXUIEGYAMNU-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO CN1CC[N@@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCC1=O ZINC001196014338 1135505495 /nfs/dbraw/zinc/50/54/95/1135505495.db2.gz SUIWXOVBURGDHJ-IBGZPJMESA-N 1 2 346.833 3.733 20 0 EHADLO CN1CC[N@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCC1=O ZINC001196014338 1135505498 /nfs/dbraw/zinc/50/54/98/1135505498.db2.gz SUIWXOVBURGDHJ-IBGZPJMESA-N 1 2 346.833 3.733 20 0 EHADLO CCOC(=O)[C@@H]1c2ccoc2CC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC001196126227 1135517970 /nfs/dbraw/zinc/51/79/70/1135517970.db2.gz VNGWQXFERTWSCE-JXFKEZNVSA-N 1 2 339.435 3.862 20 0 EHADLO CCOC(=O)[C@@H]1c2ccoc2CC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC001196126227 1135517974 /nfs/dbraw/zinc/51/79/74/1135517974.db2.gz VNGWQXFERTWSCE-JXFKEZNVSA-N 1 2 339.435 3.862 20 0 EHADLO Cc1cc(F)ccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001196135660 1135519679 /nfs/dbraw/zinc/51/96/79/1135519679.db2.gz RBQFCVBAEIJJMP-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC001196141929 1135520800 /nfs/dbraw/zinc/52/08/00/1135520800.db2.gz GMVMESGLNDGRKZ-LJQANCHMSA-N 1 2 329.415 3.840 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC001196141929 1135520803 /nfs/dbraw/zinc/52/08/03/1135520803.db2.gz GMVMESGLNDGRKZ-LJQANCHMSA-N 1 2 329.415 3.840 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2ccc(Cl)nc2)no1)c1ccccc1 ZINC000867164091 1135525332 /nfs/dbraw/zinc/52/53/32/1135525332.db2.gz LIEABFJNRCKWDR-KRWDZBQOSA-N 1 2 342.830 3.750 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc(Cl)nc2)no1)c1ccccc1 ZINC000867164091 1135525337 /nfs/dbraw/zinc/52/53/37/1135525337.db2.gz LIEABFJNRCKWDR-KRWDZBQOSA-N 1 2 342.830 3.750 20 0 EHADLO CCn1c(C)nn(C[N@H+](CCCCOC)Cc2ccccc2)c1=S ZINC000102391268 1135540126 /nfs/dbraw/zinc/54/01/26/1135540126.db2.gz OJUSVXHSWUTTEE-UHFFFAOYSA-N 1 2 348.516 3.629 20 0 EHADLO CCn1c(C)nn(C[N@@H+](CCCCOC)Cc2ccccc2)c1=S ZINC000102391268 1135540128 /nfs/dbraw/zinc/54/01/28/1135540128.db2.gz OJUSVXHSWUTTEE-UHFFFAOYSA-N 1 2 348.516 3.629 20 0 EHADLO OC[C@@H]([NH2+]Cc1cncc(Cl)c1)c1cccc(Cl)c1Cl ZINC001196284946 1135542992 /nfs/dbraw/zinc/54/29/92/1135542992.db2.gz HHWUQCZEYNCZDE-CYBMUJFWSA-N 1 2 331.630 3.865 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@@H]3CC=CCC3)n2)C1 ZINC000867188653 1135588081 /nfs/dbraw/zinc/58/80/81/1135588081.db2.gz YRJAQPHMAMPJSE-SJLPKXTDSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@@H]3CC=CCC3)n2)C1 ZINC000867188653 1135588088 /nfs/dbraw/zinc/58/80/88/1135588088.db2.gz YRJAQPHMAMPJSE-SJLPKXTDSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732424 1135591115 /nfs/dbraw/zinc/59/11/15/1135591115.db2.gz WVPLCHJWXVXOMA-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732424 1135591119 /nfs/dbraw/zinc/59/11/19/1135591119.db2.gz WVPLCHJWXVXOMA-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO OCCCCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775730839 1135591328 /nfs/dbraw/zinc/59/13/28/1135591328.db2.gz KBOXHIVGRNVFHB-KRWDZBQOSA-N 1 2 329.843 3.795 20 0 EHADLO OCCCCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775730839 1135591332 /nfs/dbraw/zinc/59/13/32/1135591332.db2.gz KBOXHIVGRNVFHB-KRWDZBQOSA-N 1 2 329.843 3.795 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H](O)c1ccccc1 ZINC000807989849 1135598751 /nfs/dbraw/zinc/59/87/51/1135598751.db2.gz YIPGBQSRDGXWPC-LJQANCHMSA-N 1 2 347.418 3.559 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001196769722 1135612687 /nfs/dbraw/zinc/61/26/87/1135612687.db2.gz ABUFZTVCKDHYBX-FZMZJTMJSA-N 1 2 342.842 3.967 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001196769722 1135612689 /nfs/dbraw/zinc/61/26/89/1135612689.db2.gz ABUFZTVCKDHYBX-FZMZJTMJSA-N 1 2 342.842 3.967 20 0 EHADLO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833885 1135616135 /nfs/dbraw/zinc/61/61/35/1135616135.db2.gz VACZRGLQHKJPDL-MEDUHNTESA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833885 1135616137 /nfs/dbraw/zinc/61/61/37/1135616137.db2.gz VACZRGLQHKJPDL-MEDUHNTESA-N 1 2 345.270 3.557 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000808226294 1135633114 /nfs/dbraw/zinc/63/31/14/1135633114.db2.gz BAUYNISEDFKDGT-INIZCTEOSA-N 1 2 328.485 3.698 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000808226294 1135633115 /nfs/dbraw/zinc/63/31/15/1135633115.db2.gz BAUYNISEDFKDGT-INIZCTEOSA-N 1 2 328.485 3.698 20 0 EHADLO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001196992269 1135637671 /nfs/dbraw/zinc/63/76/71/1135637671.db2.gz NOQFBOWAKBMWKE-GFCCVEGCSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001196992269 1135637674 /nfs/dbraw/zinc/63/76/74/1135637674.db2.gz NOQFBOWAKBMWKE-GFCCVEGCSA-N 1 2 332.669 3.695 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](CCCc2c(F)cccc2F)CCO1 ZINC001197013404 1135640159 /nfs/dbraw/zinc/64/01/59/1135640159.db2.gz UKEITIVQXIEGTA-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](CCCc2c(F)cccc2F)CCO1 ZINC001197013404 1135640162 /nfs/dbraw/zinc/64/01/62/1135640162.db2.gz UKEITIVQXIEGTA-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@H+](CCCSCc2ccccc2)CCO1 ZINC001197095312 1135644766 /nfs/dbraw/zinc/64/47/66/1135644766.db2.gz BNLTXFHTAWYZGS-OAHLLOKOSA-N 1 2 333.419 3.963 20 0 EHADLO C[C@]1(C(F)(F)F)C[N@@H+](CCCSCc2ccccc2)CCO1 ZINC001197095312 1135644770 /nfs/dbraw/zinc/64/47/70/1135644770.db2.gz BNLTXFHTAWYZGS-OAHLLOKOSA-N 1 2 333.419 3.963 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c(C)c1OC ZINC000808393603 1135662146 /nfs/dbraw/zinc/66/21/46/1135662146.db2.gz BTMYCSIRTGJEKB-UHFFFAOYSA-N 1 2 343.320 3.858 20 0 EHADLO C[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cc2cnccc2o1 ZINC001197229440 1135662232 /nfs/dbraw/zinc/66/22/32/1135662232.db2.gz FMJHMXIORWZVQY-NSHDSACASA-N 1 2 339.424 3.536 20 0 EHADLO Cc1cccn2cc(CC(=O)NC[C@]3(c4ccccc4)CC3(C)C)[nH+]c12 ZINC001131339207 1135685606 /nfs/dbraw/zinc/68/56/06/1135685606.db2.gz WYQGVZZMVIQWIN-QFIPXVFZSA-N 1 2 347.462 3.669 20 0 EHADLO CCS[C@@H](C)c1noc(CN2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001197710195 1135728465 /nfs/dbraw/zinc/72/84/65/1135728465.db2.gz FOQPKCKEWPLXDA-QWHCGFSZSA-N 1 2 335.477 3.561 20 0 EHADLO COc1ccc2cc(C=CC(=O)Nc3cc(C)[nH+]cc3C)ccc2c1 ZINC000747525867 1135732196 /nfs/dbraw/zinc/73/21/96/1135732196.db2.gz LYFWIQCRRUNTLO-WEVVVXLNSA-N 1 2 332.403 3.934 20 0 EHADLO Cc1ccc(NC(=S)NCc2c[nH+]cn2CC2CCC2)c(C)c1 ZINC001198015265 1135762304 /nfs/dbraw/zinc/76/23/04/1135762304.db2.gz AFNQXBDWPRBLEV-UHFFFAOYSA-N 1 2 328.485 3.787 20 0 EHADLO Cc1cc2cccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)c2[nH]1 ZINC001198571545 1135832027 /nfs/dbraw/zinc/83/20/27/1135832027.db2.gz LCPSLTZYPFSSLB-UHFFFAOYSA-N 1 2 330.391 3.973 20 0 EHADLO Cc1c(Cl)cccc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001198540121 1135833535 /nfs/dbraw/zinc/83/35/35/1135833535.db2.gz GPDVFIKVZLEPEZ-UHFFFAOYSA-N 1 2 346.906 3.922 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCc2ccsc2C1 ZINC000809579313 1135853959 /nfs/dbraw/zinc/85/39/59/1135853959.db2.gz YOVPCMUSHKQQLA-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCc2ccsc2C1 ZINC000809579313 1135853962 /nfs/dbraw/zinc/85/39/62/1135853962.db2.gz YOVPCMUSHKQQLA-UHFFFAOYSA-N 1 2 344.871 3.849 20 0 EHADLO CCC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1F ZINC000809547907 1135854591 /nfs/dbraw/zinc/85/45/91/1135854591.db2.gz XAZXRWXNKQUEDD-UHFFFAOYSA-N 1 2 336.432 3.740 20 0 EHADLO CCC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1F ZINC000809547907 1135854594 /nfs/dbraw/zinc/85/45/94/1135854594.db2.gz XAZXRWXNKQUEDD-UHFFFAOYSA-N 1 2 336.432 3.740 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@H]1CCCCO1 ZINC000809552719 1135856044 /nfs/dbraw/zinc/85/60/44/1135856044.db2.gz YFHPMCNUYCMVFD-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@H]1CCCCO1 ZINC000809552719 1135856048 /nfs/dbraw/zinc/85/60/48/1135856048.db2.gz YFHPMCNUYCMVFD-GFCCVEGCSA-N 1 2 328.243 3.642 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccnc(C(F)(F)F)c1 ZINC000809606820 1135856981 /nfs/dbraw/zinc/85/69/81/1135856981.db2.gz FUWPNXSOFNSTBU-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Cc1ccccc1C[NH2+]Cc1nc2ccccn2c1Br ZINC000809602088 1135861090 /nfs/dbraw/zinc/86/10/90/1135861090.db2.gz ITHACPKHQVMLON-UHFFFAOYSA-N 1 2 330.229 3.695 20 0 EHADLO C(=C\[C@@H]1CCC[N@H+]1Cc1ncc(C2OCCO2)s1)\c1ccccc1 ZINC000809636749 1135864182 /nfs/dbraw/zinc/86/41/82/1135864182.db2.gz CWCCMMGMVSHRSV-QWGSZXSUSA-N 1 2 342.464 3.866 20 0 EHADLO C(=C\[C@@H]1CCC[N@@H+]1Cc1ncc(C2OCCO2)s1)\c1ccccc1 ZINC000809636749 1135864185 /nfs/dbraw/zinc/86/41/85/1135864185.db2.gz CWCCMMGMVSHRSV-QWGSZXSUSA-N 1 2 342.464 3.866 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc(Cl)n1 ZINC000809772504 1135881312 /nfs/dbraw/zinc/88/13/12/1135881312.db2.gz ZNSDFIZTENZSDG-JSGCOSHPSA-N 1 2 339.867 3.531 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc(Cl)n1 ZINC000809772504 1135881315 /nfs/dbraw/zinc/88/13/15/1135881315.db2.gz ZNSDFIZTENZSDG-JSGCOSHPSA-N 1 2 339.867 3.531 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000776008629 1135919557 /nfs/dbraw/zinc/91/95/57/1135919557.db2.gz NHTIDVZZOMUAGQ-UHFFFAOYSA-N 1 2 345.409 3.598 20 0 EHADLO O[C@H](CNc1cc(SCc2ccccc2)cc[nH+]1)C(F)(F)F ZINC001158542695 1135923344 /nfs/dbraw/zinc/92/33/44/1135923344.db2.gz IGMWCZWZCUSCFQ-CYBMUJFWSA-N 1 2 328.359 3.709 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810179432 1135934620 /nfs/dbraw/zinc/93/46/20/1135934620.db2.gz RBJXRSPZXPIOIL-OAHLLOKOSA-N 1 2 348.450 3.931 20 0 EHADLO CON(Cc1ccccc1Cl)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000810196458 1135937164 /nfs/dbraw/zinc/93/71/64/1135937164.db2.gz KIRSLWMQFHEQEC-UHFFFAOYSA-N 1 2 348.834 3.705 20 0 EHADLO O=C1CN(c2ccc([NH2+]C3CCC4(CCCC4)CC3)cc2)CCN1 ZINC000810230885 1135941628 /nfs/dbraw/zinc/94/16/28/1135941628.db2.gz NHTGHWPEXLHTTH-UHFFFAOYSA-N 1 2 327.472 3.538 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2(F)CCCCC2)c1)[NH+]1CCOCC1 ZINC000810351786 1135958759 /nfs/dbraw/zinc/95/87/59/1135958759.db2.gz USALLERZIYUVOE-OAHLLOKOSA-N 1 2 334.435 3.691 20 0 EHADLO S=C(Nc1ccccc1Cl)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001200870624 1135962086 /nfs/dbraw/zinc/96/20/86/1135962086.db2.gz PMPMJRVTKPCGKC-CYBMUJFWSA-N 1 2 346.887 3.690 20 0 EHADLO Fc1ccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001200928346 1135966828 /nfs/dbraw/zinc/96/68/28/1135966828.db2.gz SKRNEJZDYFRBKJ-CQSZACIVSA-N 1 2 349.406 3.600 20 0 EHADLO CCOc1cc(C[NH2+]Cc2ccon2)ccc1OCc1ccccc1 ZINC000747622531 1135990967 /nfs/dbraw/zinc/99/09/67/1135990967.db2.gz NSYRHCKVDIIKTK-UHFFFAOYSA-N 1 2 338.407 3.942 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001132404623 1135994321 /nfs/dbraw/zinc/99/43/21/1135994321.db2.gz KSMZNMTVPCLGOK-OTWHNJEPSA-N 1 2 340.854 3.746 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001132404623 1135994322 /nfs/dbraw/zinc/99/43/22/1135994322.db2.gz KSMZNMTVPCLGOK-OTWHNJEPSA-N 1 2 340.854 3.746 20 0 EHADLO Cc1c(Br)cncc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC001201357903 1136008404 /nfs/dbraw/zinc/00/84/04/1136008404.db2.gz WCDQYWQCSFLZCH-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(F)F ZINC001201400113 1136012037 /nfs/dbraw/zinc/01/20/37/1136012037.db2.gz OAEJYWZFKSRRDY-CQSZACIVSA-N 1 2 332.435 3.801 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(F)F ZINC001201400113 1136012041 /nfs/dbraw/zinc/01/20/41/1136012041.db2.gz OAEJYWZFKSRRDY-CQSZACIVSA-N 1 2 332.435 3.801 20 0 EHADLO CCc1oc2ccccc2c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161605781 1136013436 /nfs/dbraw/zinc/01/34/36/1136013436.db2.gz NUHWDKCBGIEFPU-UHFFFAOYSA-N 1 2 349.434 3.920 20 0 EHADLO CC[N@H+](CCn1cccn1)C/C(Br)=C/c1ccccc1 ZINC001201459238 1136022937 /nfs/dbraw/zinc/02/29/37/1136022937.db2.gz DNVCLQXQMZKCBL-SSZFMOIBSA-N 1 2 334.261 3.641 20 0 EHADLO CC[N@@H+](CCn1cccn1)C/C(Br)=C/c1ccccc1 ZINC001201459238 1136022940 /nfs/dbraw/zinc/02/29/40/1136022940.db2.gz DNVCLQXQMZKCBL-SSZFMOIBSA-N 1 2 334.261 3.641 20 0 EHADLO CN(C)C(=O)c1cc(F)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001201515410 1136036826 /nfs/dbraw/zinc/03/68/26/1136036826.db2.gz TVLKKBYTYPHZQW-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO CCCCc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000747672971 1136051105 /nfs/dbraw/zinc/05/11/05/1136051105.db2.gz ZBKYTMIYLKGSDX-UHFFFAOYSA-N 1 2 326.440 3.980 20 0 EHADLO COC[C@H]([NH2+]Cc1snc(OC)c1Cl)c1ccc(F)c(F)c1 ZINC001201769508 1136061306 /nfs/dbraw/zinc/06/13/06/1136061306.db2.gz IIINDHITMAALNV-NSHDSACASA-N 1 2 348.802 3.561 20 0 EHADLO CCc1cc(C(=O)NCc2c[nH+]cn2C)sc1-c1ccccc1 ZINC001132729290 1136069876 /nfs/dbraw/zinc/06/98/76/1136069876.db2.gz GRSSLYPOPMAJPF-UHFFFAOYSA-N 1 2 325.437 3.641 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1Cl)Nc1ccccc1 ZINC001201961862 1136078634 /nfs/dbraw/zinc/07/86/34/1136078634.db2.gz FQUUQLOHNSAXNS-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO Cc1cccc(C)c1NC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001202215373 1136112040 /nfs/dbraw/zinc/11/20/40/1136112040.db2.gz HJKOPYLCPBJVNC-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001202262191 1136115619 /nfs/dbraw/zinc/11/56/19/1136115619.db2.gz NWYVAJZMHZQLSP-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735297 1136132230 /nfs/dbraw/zinc/13/22/30/1136132230.db2.gz QBRDYUPHGBHLRP-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735297 1136132232 /nfs/dbraw/zinc/13/22/32/1136132232.db2.gz QBRDYUPHGBHLRP-HNNXBMFYSA-N 1 2 340.389 3.742 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC001202421609 1136139606 /nfs/dbraw/zinc/13/96/06/1136139606.db2.gz HDPOFDLRCPEPFA-UHFFFAOYSA-N 1 2 338.333 3.634 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(C(F)(F)F)s3)ccn12 ZINC001133082935 1136155956 /nfs/dbraw/zinc/15/59/56/1136155956.db2.gz XIVSKMMOUAOZJV-UHFFFAOYSA-N 1 2 339.342 3.653 20 0 EHADLO O=C1C[C@@H](c2cccc(Cl)c2)CN1C[N@@H+]1CCc2ccsc2C1 ZINC000812287642 1136191733 /nfs/dbraw/zinc/19/17/33/1136191733.db2.gz DKXMFOMITRVHTP-OAHLLOKOSA-N 1 2 346.883 3.733 20 0 EHADLO O=C1C[C@@H](c2cccc(Cl)c2)CN1C[N@H+]1CCc2ccsc2C1 ZINC000812287642 1136191734 /nfs/dbraw/zinc/19/17/34/1136191734.db2.gz DKXMFOMITRVHTP-OAHLLOKOSA-N 1 2 346.883 3.733 20 0 EHADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000747782886 1136195449 /nfs/dbraw/zinc/19/54/49/1136195449.db2.gz RCHTYZISCUCIAA-NSHDSACASA-N 1 2 326.318 3.676 20 0 EHADLO CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000812420200 1136205074 /nfs/dbraw/zinc/20/50/74/1136205074.db2.gz VIJMSRATBAORFT-FUHWJXTLSA-N 1 2 341.455 3.761 20 0 EHADLO Cc1c[nH]c(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000850126043 1136212625 /nfs/dbraw/zinc/21/26/25/1136212625.db2.gz CUZIBYXIHSPVSJ-NRFANRHFSA-N 1 2 333.435 3.922 20 0 EHADLO CCOc1cc(Br)c(F)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000850308043 1136233585 /nfs/dbraw/zinc/23/35/85/1136233585.db2.gz VXFXDQQCUYCMSD-UHFFFAOYSA-N 1 2 342.212 3.939 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)c2ncnn21 ZINC000850352200 1136239288 /nfs/dbraw/zinc/23/92/88/1136239288.db2.gz ONUPPHRTKHKBNH-CABZTGNLSA-N 1 2 328.363 3.686 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)c2ncnn21 ZINC000850352202 1136239419 /nfs/dbraw/zinc/23/94/19/1136239419.db2.gz ONUPPHRTKHKBNH-SKDRFNHKSA-N 1 2 328.363 3.686 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000812886176 1136265617 /nfs/dbraw/zinc/26/56/17/1136265617.db2.gz AWNWEZIVIYCVBF-ZDUSSCGKSA-N 1 2 335.391 3.536 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000812886176 1136265619 /nfs/dbraw/zinc/26/56/19/1136265619.db2.gz AWNWEZIVIYCVBF-ZDUSSCGKSA-N 1 2 335.391 3.536 20 0 EHADLO O=C(Nc1cnccc1C(F)(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC001133482072 1136266562 /nfs/dbraw/zinc/26/65/62/1136266562.db2.gz ASNRETNRFTVNOB-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1nc(Br)cs1 ZINC000850526356 1136278045 /nfs/dbraw/zinc/27/80/45/1136278045.db2.gz PXRYYRFOJHWPMX-XXILOJSOSA-N 1 2 339.258 3.735 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832009 1136279776 /nfs/dbraw/zinc/27/97/76/1136279776.db2.gz LSUATBNREKMUOZ-KFWWJZLASA-N 1 2 331.485 3.588 20 0 EHADLO CC(=O)Nc1cccc(CO[NH+]=C(N)c2cccc3ccccc32)c1 ZINC000747834525 1136281533 /nfs/dbraw/zinc/28/15/33/1136281533.db2.gz WPYRQJJETVEAMC-UHFFFAOYSA-N 1 2 333.391 3.845 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000813226773 1136306091 /nfs/dbraw/zinc/30/60/91/1136306091.db2.gz OBDSUXNLCVVNBJ-QGZVFWFLSA-N 1 2 342.439 3.814 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000813226773 1136306095 /nfs/dbraw/zinc/30/60/95/1136306095.db2.gz OBDSUXNLCVVNBJ-QGZVFWFLSA-N 1 2 342.439 3.814 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(F)c(F)c1 ZINC000776494166 1136307905 /nfs/dbraw/zinc/30/79/05/1136307905.db2.gz KVICGOMYWHYVDH-OAHLLOKOSA-N 1 2 338.423 3.777 20 0 EHADLO C[C@H](C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000851398555 1136376027 /nfs/dbraw/zinc/37/60/27/1136376027.db2.gz BLSGCCPHCATXSX-HNNXBMFYSA-N 1 2 342.414 3.784 20 0 EHADLO Cc1ccc(F)c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851398799 1136376119 /nfs/dbraw/zinc/37/61/19/1136376119.db2.gz FKVOLIQALKJVFS-UHFFFAOYSA-N 1 2 328.387 3.603 20 0 EHADLO Clc1ccc(COC2CC[NH+](Cc3cnon3)CC2)cc1Cl ZINC000851810570 1136410123 /nfs/dbraw/zinc/41/01/23/1136410123.db2.gz JFUVSHZMWRKQCA-UHFFFAOYSA-N 1 2 342.226 3.558 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000814226207 1136425625 /nfs/dbraw/zinc/42/56/25/1136425625.db2.gz RGXZCDAGWMQWOO-QGZVFWFLSA-N 1 2 342.512 3.978 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000814226207 1136425628 /nfs/dbraw/zinc/42/56/28/1136425628.db2.gz RGXZCDAGWMQWOO-QGZVFWFLSA-N 1 2 342.512 3.978 20 0 EHADLO O=C1CCC2=C(CC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)N1 ZINC000852295331 1136445972 /nfs/dbraw/zinc/44/59/72/1136445972.db2.gz DULKZORSRDHUFF-UHFFFAOYSA-N 1 2 331.485 3.561 20 0 EHADLO O=C1CCC2=C(CC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)N1 ZINC000852295331 1136445975 /nfs/dbraw/zinc/44/59/75/1136445975.db2.gz DULKZORSRDHUFF-UHFFFAOYSA-N 1 2 331.485 3.561 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cccc(F)n2)Cc2ccccc21 ZINC000852317881 1136447750 /nfs/dbraw/zinc/44/77/50/1136447750.db2.gz LIQDHUALDPBOKI-QGZVFWFLSA-N 1 2 342.414 3.662 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)n2)Cc2ccccc21 ZINC000852317881 1136447751 /nfs/dbraw/zinc/44/77/51/1136447751.db2.gz LIQDHUALDPBOKI-QGZVFWFLSA-N 1 2 342.414 3.662 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335592 1136450512 /nfs/dbraw/zinc/45/05/12/1136450512.db2.gz LGINQUYSVIZMPL-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335592 1136450515 /nfs/dbraw/zinc/45/05/15/1136450515.db2.gz LGINQUYSVIZMPL-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc(Cl)n1 ZINC000852485447 1136459671 /nfs/dbraw/zinc/45/96/71/1136459671.db2.gz OOSHMYNLYYHLDA-KRWDZBQOSA-N 1 2 332.831 3.990 20 0 EHADLO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc(Cl)n1 ZINC000852485447 1136459674 /nfs/dbraw/zinc/45/96/74/1136459674.db2.gz OOSHMYNLYYHLDA-KRWDZBQOSA-N 1 2 332.831 3.990 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnsc1Cl)[C@H](O)c1ccc(Cl)cc1 ZINC000852731924 1136481616 /nfs/dbraw/zinc/48/16/16/1136481616.db2.gz NXWGEFJUOKPMEQ-CHWSQXEVSA-N 1 2 346.283 3.693 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)o1 ZINC000814657923 1136486608 /nfs/dbraw/zinc/48/66/08/1136486608.db2.gz KEPHUWDSVIAMFP-AWEZNQCLSA-N 1 2 343.427 3.996 20 0 EHADLO CCSCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000814716842 1136498055 /nfs/dbraw/zinc/49/80/55/1136498055.db2.gz SSTRMVRIHXHZTG-LLVKDONJSA-N 1 2 340.493 3.832 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171474 1136518817 /nfs/dbraw/zinc/51/88/17/1136518817.db2.gz MQKIIMKBRXUSMV-AWEZNQCLSA-N 1 2 336.892 3.843 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171474 1136518821 /nfs/dbraw/zinc/51/88/21/1136518821.db2.gz MQKIIMKBRXUSMV-AWEZNQCLSA-N 1 2 336.892 3.843 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cn1c(=O)sc3c1CCCC3)CCC2 ZINC000111172843 1136519288 /nfs/dbraw/zinc/51/92/88/1136519288.db2.gz BJNBDTBSNMNSCC-CQSZACIVSA-N 1 2 349.525 3.520 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cn1c(=O)sc3c1CCCC3)CCC2 ZINC000111172843 1136519291 /nfs/dbraw/zinc/51/92/91/1136519291.db2.gz BJNBDTBSNMNSCC-CQSZACIVSA-N 1 2 349.525 3.520 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1ncc(Cl)c1C1CC1)CC2 ZINC000853505351 1136538983 /nfs/dbraw/zinc/53/89/83/1136538983.db2.gz VEIBGWSIKZACEZ-UHFFFAOYSA-N 1 2 343.858 3.675 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1ncc(Cl)c1C1CC1)CC2 ZINC000853505351 1136538984 /nfs/dbraw/zinc/53/89/84/1136538984.db2.gz VEIBGWSIKZACEZ-UHFFFAOYSA-N 1 2 343.858 3.675 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1=S ZINC000853544223 1136542714 /nfs/dbraw/zinc/54/27/14/1136542714.db2.gz QOOKAZBZQHYXOF-KRWDZBQOSA-N 1 2 349.475 3.826 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1=S ZINC000853544223 1136542716 /nfs/dbraw/zinc/54/27/16/1136542716.db2.gz QOOKAZBZQHYXOF-KRWDZBQOSA-N 1 2 349.475 3.826 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)[C@@H]1C1CC1 ZINC000853539023 1136542829 /nfs/dbraw/zinc/54/28/29/1136542829.db2.gz ZVUJNFWPDKQCCE-SJORKVTESA-N 1 2 328.456 3.801 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)[C@@H]1C1CC1 ZINC000853539023 1136542832 /nfs/dbraw/zinc/54/28/32/1136542832.db2.gz ZVUJNFWPDKQCCE-SJORKVTESA-N 1 2 328.456 3.801 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+](C)CC3=CCCOC3)c2=S)c(C)c1 ZINC000853561914 1136544122 /nfs/dbraw/zinc/54/41/22/1136544122.db2.gz VPEDRBRKIBOAJO-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+](C)CC3=CCCOC3)c2=S)c(C)c1 ZINC000853561914 1136544123 /nfs/dbraw/zinc/54/41/23/1136544123.db2.gz VPEDRBRKIBOAJO-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000853562647 1136544733 /nfs/dbraw/zinc/54/47/33/1136544733.db2.gz CEVHAYYEWKPYIV-UHFFFAOYSA-N 1 2 333.505 3.737 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000853562647 1136544735 /nfs/dbraw/zinc/54/47/35/1136544735.db2.gz CEVHAYYEWKPYIV-UHFFFAOYSA-N 1 2 333.505 3.737 20 0 EHADLO Cc1nn(C[N@H+](C)C[C@H]2CC2(C)C)c(=S)n1Cc1ccccc1 ZINC000853627733 1136550353 /nfs/dbraw/zinc/55/03/53/1136550353.db2.gz ZRLINHMCVOAPDP-MRXNPFEDSA-N 1 2 330.501 3.706 20 0 EHADLO Cc1nn(C[N@@H+](C)C[C@H]2CC2(C)C)c(=S)n1Cc1ccccc1 ZINC000853627733 1136550355 /nfs/dbraw/zinc/55/03/55/1136550355.db2.gz ZRLINHMCVOAPDP-MRXNPFEDSA-N 1 2 330.501 3.706 20 0 EHADLO Cn1ncc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1Cl ZINC000815127380 1136554585 /nfs/dbraw/zinc/55/45/85/1136554585.db2.gz RHNMIBXWOVWPRR-JTQLQIEISA-N 1 2 332.618 3.604 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC3(C)C)n2)O1 ZINC000854106715 1136588205 /nfs/dbraw/zinc/58/82/05/1136588205.db2.gz AUFKLRXBFGFUNZ-VNQPRFMTSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC3(C)C)n2)O1 ZINC000854106715 1136588208 /nfs/dbraw/zinc/58/82/08/1136588208.db2.gz AUFKLRXBFGFUNZ-VNQPRFMTSA-N 1 2 327.428 3.545 20 0 EHADLO Cc1ccc(-c2noc([C@@H]([NH3+])COC(C)C)n2)c(OC2CCCC2)c1 ZINC000854147078 1136592341 /nfs/dbraw/zinc/59/23/41/1136592341.db2.gz UJANSULACDCNTM-INIZCTEOSA-N 1 2 345.443 3.791 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)OCCCc1[nH+]ccn1C ZINC000816033526 1136662080 /nfs/dbraw/zinc/66/20/80/1136662080.db2.gz QEKMEBYFDRBHDA-SFHVURJKSA-N 1 2 328.456 3.801 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1SC(F)(F)F ZINC000776799924 1136679938 /nfs/dbraw/zinc/67/99/38/1136679938.db2.gz OPQFTKOXBJFVFU-CQSZACIVSA-N 1 2 347.402 3.918 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1SC(F)(F)F ZINC000776799924 1136679939 /nfs/dbraw/zinc/67/99/39/1136679939.db2.gz OPQFTKOXBJFVFU-CQSZACIVSA-N 1 2 347.402 3.918 20 0 EHADLO O=C(N[C@@H]1CCCc2occc21)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001135401944 1136681784 /nfs/dbraw/zinc/68/17/84/1136681784.db2.gz BZWULLGWZYJJSI-HLLBOEOZSA-N 1 2 339.439 3.839 20 0 EHADLO C[C@@H]1CC[C@H](C)[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000816223059 1136689165 /nfs/dbraw/zinc/68/91/65/1136689165.db2.gz OCQBZUOUHOPDRY-JTDSTZFVSA-N 1 2 326.440 3.842 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1[C@H]1CCCOCC1 ZINC001170816274 1136689740 /nfs/dbraw/zinc/68/97/40/1136689740.db2.gz AXMHZMNBBBTOOL-FUHWJXTLSA-N 1 2 344.480 3.753 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1[C@H]1CCCOCC1 ZINC001170816274 1136689742 /nfs/dbraw/zinc/68/97/42/1136689742.db2.gz AXMHZMNBBBTOOL-FUHWJXTLSA-N 1 2 344.480 3.753 20 0 EHADLO CC(C)(C(=O)OCC(=O)c1ccc(Cl)cc1Cl)[NH+]1CCCC1 ZINC000805611708 1136689790 /nfs/dbraw/zinc/68/97/90/1136689790.db2.gz YQPKYXWJBBSXLM-UHFFFAOYSA-N 1 2 344.238 3.594 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000265980764 1136698436 /nfs/dbraw/zinc/69/84/36/1136698436.db2.gz YUNSJWPFSVVFLR-OLZOCXBDSA-N 1 2 339.361 3.600 20 0 EHADLO c1csc(-c2ccc(C[NH2+]Cc3nnnn3-c3ccccc3)cc2)c1 ZINC001649145465 1136705854 /nfs/dbraw/zinc/70/58/54/1136705854.db2.gz WZAWCZMOYHZQLT-UHFFFAOYSA-N 1 2 347.447 3.681 20 0 EHADLO C[C@@H](Cc1ccc(O)cc1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000816527304 1136734385 /nfs/dbraw/zinc/73/43/85/1136734385.db2.gz DUZMACDCHXIICC-HOTGVXAUSA-N 1 2 326.440 3.660 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000816652775 1136744659 /nfs/dbraw/zinc/74/46/59/1136744659.db2.gz TYINAIDIXFGWPB-UHFFFAOYSA-N 1 2 346.431 3.611 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000816652775 1136744662 /nfs/dbraw/zinc/74/46/62/1136744662.db2.gz TYINAIDIXFGWPB-UHFFFAOYSA-N 1 2 346.431 3.611 20 0 EHADLO CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816648311 1136744887 /nfs/dbraw/zinc/74/48/87/1136744887.db2.gz IOMWORXBFYNFLW-MNOVXSKESA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816648311 1136744891 /nfs/dbraw/zinc/74/48/91/1136744891.db2.gz IOMWORXBFYNFLW-MNOVXSKESA-N 1 2 328.250 3.697 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC2(CCCC2)c2c1cccc2F ZINC000776869880 1136750610 /nfs/dbraw/zinc/75/06/10/1136750610.db2.gz LKRLVILXLJVLPE-UHFFFAOYSA-N 1 2 335.382 3.946 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000509487648 1136751644 /nfs/dbraw/zinc/75/16/44/1136751644.db2.gz IVSYEGILCQMZGM-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000509487648 1136751647 /nfs/dbraw/zinc/75/16/47/1136751647.db2.gz IVSYEGILCQMZGM-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO COc1cc2ccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)cc2cc1OC ZINC000856255137 1136769733 /nfs/dbraw/zinc/76/97/33/1136769733.db2.gz DFHHAWCGFHSIBM-CYBMUJFWSA-N 1 2 339.395 3.643 20 0 EHADLO O=C(/C=C/C1CCCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135790313 1136772035 /nfs/dbraw/zinc/77/20/35/1136772035.db2.gz WZSZVKHRUWGWLJ-MDZDMXLPSA-N 1 2 332.513 3.919 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135897026 1136803157 /nfs/dbraw/zinc/80/31/57/1136803157.db2.gz OMOIBAOMKCHNST-MRXNPFEDSA-N 1 2 331.419 3.783 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1cscn1)c1ccccc1 ZINC000776899974 1136819408 /nfs/dbraw/zinc/81/94/08/1136819408.db2.gz NIZKMYBQTJJPHX-UHFFFAOYSA-N 1 2 334.404 3.638 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)c2ccccc21 ZINC000857080685 1136842685 /nfs/dbraw/zinc/84/26/85/1136842685.db2.gz WZVYDVUYIXHRSM-LJQANCHMSA-N 1 2 335.451 3.979 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)c2ccccc21 ZINC000857080685 1136842688 /nfs/dbraw/zinc/84/26/88/1136842688.db2.gz WZVYDVUYIXHRSM-LJQANCHMSA-N 1 2 335.451 3.979 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2c(F)ccc(F)c2Cl)c1C ZINC000857093992 1136844252 /nfs/dbraw/zinc/84/42/52/1136844252.db2.gz RHCAHTPVCMTLEM-UHFFFAOYSA-N 1 2 340.757 3.569 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001170892168 1136867506 /nfs/dbraw/zinc/86/75/06/1136867506.db2.gz QYYRAWNKBFWGFO-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001170892168 1136867509 /nfs/dbraw/zinc/86/75/09/1136867509.db2.gz QYYRAWNKBFWGFO-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1cccc(CN(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001136184543 1136909673 /nfs/dbraw/zinc/90/96/73/1136909673.db2.gz VHVRWCUOBFMNGZ-IBGZPJMESA-N 1 2 333.435 3.899 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857979830 1136926833 /nfs/dbraw/zinc/92/68/33/1136926833.db2.gz FVCUVJJYYHXMAR-IXDOHACOSA-N 1 2 333.476 3.600 20 0 EHADLO CC(C)(C)c1ccc(SCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857990473 1136927721 /nfs/dbraw/zinc/92/77/21/1136927721.db2.gz VHMXPFGHSFOMBG-OAHLLOKOSA-N 1 2 329.469 3.534 20 0 EHADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013839 1136930561 /nfs/dbraw/zinc/93/05/61/1136930561.db2.gz GKSHCVCXLKBLJO-CZUORRHYSA-N 1 2 342.443 3.509 20 0 EHADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858013839 1136930563 /nfs/dbraw/zinc/93/05/63/1136930563.db2.gz GKSHCVCXLKBLJO-CZUORRHYSA-N 1 2 342.443 3.509 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCCC(=O)Nc1cccc(F)c1C ZINC000819409019 1136937088 /nfs/dbraw/zinc/93/70/88/1136937088.db2.gz NYUWJICSZRFVFV-UHFFFAOYSA-N 1 2 329.419 3.949 20 0 EHADLO C/C=C\C[C@@H]1CCCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000858166731 1136946150 /nfs/dbraw/zinc/94/61/50/1136946150.db2.gz YXXWQJMLZJLCDE-OGZRUICASA-N 1 2 331.460 3.595 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3CCC=CCC3)CC2)cc1 ZINC000820290033 1136987030 /nfs/dbraw/zinc/98/70/30/1136987030.db2.gz WBQUWMOLVCFXCA-UHFFFAOYSA-N 1 2 341.499 3.584 20 0 EHADLO C[C@@H](C(=O)O[C@@H](C(=O)C1CC1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820393175 1136989780 /nfs/dbraw/zinc/98/97/80/1136989780.db2.gz KQOJXRVYZCQQGW-QCUYGVNKSA-N 1 2 329.440 3.511 20 0 EHADLO C[C@@H](C(=O)O[C@@H](C(=O)C1CC1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000820393175 1136989781 /nfs/dbraw/zinc/98/97/81/1136989781.db2.gz KQOJXRVYZCQQGW-QCUYGVNKSA-N 1 2 329.440 3.511 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(OC(C)(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000820858791 1137007012 /nfs/dbraw/zinc/00/70/12/1137007012.db2.gz AZZVOFBUHJGUHN-YJBOKZPZSA-N 1 2 341.455 3.784 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CCc2ccccc21 ZINC001136393833 1137010606 /nfs/dbraw/zinc/01/06/06/1137010606.db2.gz AIEXDPDQEJSSQS-HKUYNNGSSA-N 1 2 339.483 3.924 20 0 EHADLO C[N@H+](Cc1ncccc1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000859324415 1137011650 /nfs/dbraw/zinc/01/16/50/1137011650.db2.gz BTRYJYXYOQANCY-UHFFFAOYSA-N 1 2 339.867 3.614 20 0 EHADLO C[N@@H+](Cc1ncccc1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000859324415 1137011651 /nfs/dbraw/zinc/01/16/51/1137011651.db2.gz BTRYJYXYOQANCY-UHFFFAOYSA-N 1 2 339.867 3.614 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1coc(-c2ccccc2)n1 ZINC000859531388 1137018561 /nfs/dbraw/zinc/01/85/61/1137018561.db2.gz GHYLLLZEFNWWJB-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1coc(-c2ccccc2)n1 ZINC000859531388 1137018563 /nfs/dbraw/zinc/01/85/63/1137018563.db2.gz GHYLLLZEFNWWJB-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613697 1137022806 /nfs/dbraw/zinc/02/28/06/1137022806.db2.gz OHJVVZOLTWYJLA-ZYHUDNBSSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613697 1137022808 /nfs/dbraw/zinc/02/28/08/1137022808.db2.gz OHJVVZOLTWYJLA-ZYHUDNBSSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613694 1137022842 /nfs/dbraw/zinc/02/28/42/1137022842.db2.gz OHJVVZOLTWYJLA-CMPLNLGQSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613694 1137022843 /nfs/dbraw/zinc/02/28/43/1137022843.db2.gz OHJVVZOLTWYJLA-CMPLNLGQSA-N 1 2 330.881 3.596 20 0 EHADLO CCc1ccc(OC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(OC)c1 ZINC000821399830 1137025479 /nfs/dbraw/zinc/02/54/79/1137025479.db2.gz RJDLRLNVPAYWNL-CQSZACIVSA-N 1 2 342.317 3.553 20 0 EHADLO O=C1COC2(C1)CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC001138048103 1137027548 /nfs/dbraw/zinc/02/75/48/1137027548.db2.gz MEFZGYSTMVEGLD-UHFFFAOYSA-N 1 2 347.764 3.683 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccns1 ZINC000860055029 1137042470 /nfs/dbraw/zinc/04/24/70/1137042470.db2.gz QPIXJSLGCKGNER-NSHDSACASA-N 1 2 330.409 3.917 20 0 EHADLO C[C@H](C[N@H+](C)Cc1cc(-c2ccccc2)on1)NC(=O)OC(C)(C)C ZINC000860097931 1137044198 /nfs/dbraw/zinc/04/41/98/1137044198.db2.gz UIYQLESIGQLGCR-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1cc(-c2ccccc2)on1)NC(=O)OC(C)(C)C ZINC000860097931 1137044199 /nfs/dbraw/zinc/04/41/99/1137044199.db2.gz UIYQLESIGQLGCR-CQSZACIVSA-N 1 2 345.443 3.687 20 0 EHADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001136581282 1137056866 /nfs/dbraw/zinc/05/68/66/1137056866.db2.gz PZFHFUONJNEKQQ-MGPQQGTHSA-N 1 2 343.393 3.875 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC001136581985 1137057171 /nfs/dbraw/zinc/05/71/71/1137057171.db2.gz PQGUIHREESZCKB-SFHVURJKSA-N 1 2 342.464 3.879 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC001136581985 1137057173 /nfs/dbraw/zinc/05/71/73/1137057173.db2.gz PQGUIHREESZCKB-SFHVURJKSA-N 1 2 342.464 3.879 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000822470057 1137061249 /nfs/dbraw/zinc/06/12/49/1137061249.db2.gz HLMSWHZVDKNZMO-GOSISDBHSA-N 1 2 343.471 3.712 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136622845 1137072257 /nfs/dbraw/zinc/07/22/57/1137072257.db2.gz UAWJGPMUZPHHDU-YOEHRIQHSA-N 1 2 327.428 3.667 20 0 EHADLO CSCc1cccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)c1 ZINC000822790007 1137073975 /nfs/dbraw/zinc/07/39/75/1137073975.db2.gz BQAQJNVEYJOHBK-QGZVFWFLSA-N 1 2 337.448 3.987 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](c2ccccn2)C2CCC2)c(N(C)C)[nH+]1 ZINC000860809846 1137079370 /nfs/dbraw/zinc/07/93/70/1137079370.db2.gz DKYMVYIVUQDCMW-QGZVFWFLSA-N 1 2 339.443 3.514 20 0 EHADLO CC[C@@H](CC1CCCC1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823381784 1137097394 /nfs/dbraw/zinc/09/73/94/1137097394.db2.gz DRUXHORSECZSDQ-KBPBESRZSA-N 1 2 337.464 3.875 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729006 1137102529 /nfs/dbraw/zinc/10/25/29/1137102529.db2.gz PEAUCDFGSLFFHX-MOGXKFMRSA-N 1 2 326.484 3.526 20 0 EHADLO CCc1cc(Cl)cnc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000861610334 1137114231 /nfs/dbraw/zinc/11/42/31/1137114231.db2.gz KAEIFUNQOWYGGO-SWLSCSKDSA-N 1 2 347.850 3.609 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000861628557 1137115538 /nfs/dbraw/zinc/11/55/38/1137115538.db2.gz WMSDNCRQTOSPNM-UHFFFAOYSA-N 1 2 342.443 3.849 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)[C@@H](c2ccccc2)C1 ZINC001136932641 1137149408 /nfs/dbraw/zinc/14/94/08/1137149408.db2.gz PCAHVZHFXRBGGH-CRAIPNDOSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)[C@@H](c2ccccc2)C1 ZINC001136932641 1137149410 /nfs/dbraw/zinc/14/94/10/1137149410.db2.gz PCAHVZHFXRBGGH-CRAIPNDOSA-N 1 2 344.842 3.861 20 0 EHADLO CCN1CC[N@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1=O ZINC001136946106 1137153208 /nfs/dbraw/zinc/15/32/08/1137153208.db2.gz MEUGGKNWEAFJIR-UHFFFAOYSA-N 1 2 345.446 3.566 20 0 EHADLO CCN1CC[N@@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1=O ZINC001136946106 1137153209 /nfs/dbraw/zinc/15/32/09/1137153209.db2.gz MEUGGKNWEAFJIR-UHFFFAOYSA-N 1 2 345.446 3.566 20 0 EHADLO C[N@H+](Cc1cccnc1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932520 1137158277 /nfs/dbraw/zinc/15/82/77/1137158277.db2.gz RPSXFSKKGHOVNK-UHFFFAOYSA-N 1 2 339.867 3.614 20 0 EHADLO C[N@@H+](Cc1cccnc1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932520 1137158279 /nfs/dbraw/zinc/15/82/79/1137158279.db2.gz RPSXFSKKGHOVNK-UHFFFAOYSA-N 1 2 339.867 3.614 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(Cl)c(Br)c2)co1 ZINC000825058336 1137163725 /nfs/dbraw/zinc/16/37/25/1137163725.db2.gz WDGWURHTNDIRKC-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cncc(Cl)c1 ZINC001136995475 1137167418 /nfs/dbraw/zinc/16/74/18/1137167418.db2.gz MXAMPAQZIXMBQR-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cncc(Cl)c1 ZINC001136995475 1137167419 /nfs/dbraw/zinc/16/74/19/1137167419.db2.gz MXAMPAQZIXMBQR-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000863042964 1137168147 /nfs/dbraw/zinc/16/81/47/1137168147.db2.gz XANMNKRGJDCWTR-MRXNPFEDSA-N 1 2 337.398 3.882 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(F)c(F)c(F)c1F)n1cc[nH+]c1 ZINC000825369096 1137175328 /nfs/dbraw/zinc/17/53/28/1137175328.db2.gz RQYUJZNKECTCML-LLVKDONJSA-N 1 2 329.297 3.665 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000863254339 1137177800 /nfs/dbraw/zinc/17/78/00/1137177800.db2.gz DGFSZFYTAMWKKW-IAGOWNOFSA-N 1 2 337.467 3.697 20 0 EHADLO COc1ccc(F)c(C[N@H+](C)CCc2noc(C(C)C)n2)c1Cl ZINC001143363390 1137182729 /nfs/dbraw/zinc/18/27/29/1137182729.db2.gz SXEXNNWWUUNTPA-UHFFFAOYSA-N 1 2 341.814 3.669 20 0 EHADLO COc1ccc(F)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c1Cl ZINC001143363390 1137182730 /nfs/dbraw/zinc/18/27/30/1137182730.db2.gz SXEXNNWWUUNTPA-UHFFFAOYSA-N 1 2 341.814 3.669 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000863375146 1137183807 /nfs/dbraw/zinc/18/38/07/1137183807.db2.gz ZPQKWYSFXAXQEJ-UAGQMJEPSA-N 1 2 345.817 3.594 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001143641121 1137185446 /nfs/dbraw/zinc/18/54/46/1137185446.db2.gz GKQAJQPUVJWOPT-DAYGRLMNSA-N 1 2 332.492 3.511 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001143641121 1137185447 /nfs/dbraw/zinc/18/54/47/1137185447.db2.gz GKQAJQPUVJWOPT-DAYGRLMNSA-N 1 2 332.492 3.511 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001143738960 1137193668 /nfs/dbraw/zinc/19/36/68/1137193668.db2.gz CTGCQVSLPJEYBY-BBRMVZONSA-N 1 2 327.827 3.879 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001143738960 1137193670 /nfs/dbraw/zinc/19/36/70/1137193670.db2.gz CTGCQVSLPJEYBY-BBRMVZONSA-N 1 2 327.827 3.879 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143769532 1137197233 /nfs/dbraw/zinc/19/72/33/1137197233.db2.gz QHMBJQDAUFYPDI-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143769532 1137197234 /nfs/dbraw/zinc/19/72/34/1137197234.db2.gz QHMBJQDAUFYPDI-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO Cc1cc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c(C)o1 ZINC000863673183 1137198628 /nfs/dbraw/zinc/19/86/28/1137198628.db2.gz MHZDNQCUIWKRAZ-XJKSGUPXSA-N 1 2 327.384 3.552 20 0 EHADLO Clc1nc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc2ccccc21 ZINC000794555081 1137201765 /nfs/dbraw/zinc/20/17/65/1137201765.db2.gz UUALZKSZOSWBGA-MRXNPFEDSA-N 1 2 332.831 3.616 20 0 EHADLO Clc1nc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc2ccccc21 ZINC000794555081 1137201767 /nfs/dbraw/zinc/20/17/67/1137201767.db2.gz UUALZKSZOSWBGA-MRXNPFEDSA-N 1 2 332.831 3.616 20 0 EHADLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@H]21 ZINC001143867721 1137206761 /nfs/dbraw/zinc/20/67/61/1137206761.db2.gz HVCYXVAZWSKOHT-QMTHXVAHSA-N 1 2 345.245 3.575 20 0 EHADLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)CC[C@H]21 ZINC001143867721 1137206763 /nfs/dbraw/zinc/20/67/63/1137206763.db2.gz HVCYXVAZWSKOHT-QMTHXVAHSA-N 1 2 345.245 3.575 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)nc1 ZINC001143961049 1137219355 /nfs/dbraw/zinc/21/93/55/1137219355.db2.gz GRENZZWNEZAHDP-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)nc1 ZINC001143961049 1137219356 /nfs/dbraw/zinc/21/93/56/1137219356.db2.gz GRENZZWNEZAHDP-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961800 1137219424 /nfs/dbraw/zinc/21/94/24/1137219424.db2.gz VKGHIAQBXZBZJW-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961800 1137219426 /nfs/dbraw/zinc/21/94/26/1137219426.db2.gz VKGHIAQBXZBZJW-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143961071 1137219444 /nfs/dbraw/zinc/21/94/44/1137219444.db2.gz HIQSANCYFJLQBL-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143961071 1137219446 /nfs/dbraw/zinc/21/94/46/1137219446.db2.gz HIQSANCYFJLQBL-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)c2=S)cc1 ZINC000794639221 1137220616 /nfs/dbraw/zinc/22/06/16/1137220616.db2.gz IYAMOCUCBMUTPF-KGLIPLIRSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)c2=S)cc1 ZINC000794639221 1137220618 /nfs/dbraw/zinc/22/06/18/1137220618.db2.gz IYAMOCUCBMUTPF-KGLIPLIRSA-N 1 2 346.500 3.656 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458271 1137221722 /nfs/dbraw/zinc/22/17/22/1137221722.db2.gz NWMTUZQHWAJWRF-BETUJISGSA-N 1 2 346.215 3.935 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)C3CCCC3)c2=S)cc1 ZINC000794616969 1137220906 /nfs/dbraw/zinc/22/09/06/1137220906.db2.gz PSFLOUREVHPCCM-UHFFFAOYSA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)C3CCCC3)c2=S)cc1 ZINC000794616969 1137220907 /nfs/dbraw/zinc/22/09/07/1137220907.db2.gz PSFLOUREVHPCCM-UHFFFAOYSA-N 1 2 332.473 3.552 20 0 EHADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451069 1137221154 /nfs/dbraw/zinc/22/11/54/1137221154.db2.gz IVCIWGOXLQJSNS-BBWFWOEESA-N 1 2 328.362 3.563 20 0 EHADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451069 1137221155 /nfs/dbraw/zinc/22/11/55/1137221155.db2.gz IVCIWGOXLQJSNS-BBWFWOEESA-N 1 2 328.362 3.563 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)CCC(C)C)c2=S)cc1 ZINC000794624527 1137221480 /nfs/dbraw/zinc/22/14/80/1137221480.db2.gz YNZNEIGHZGUEBE-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)CCC(C)C)c2=S)cc1 ZINC000794624527 1137221481 /nfs/dbraw/zinc/22/14/81/1137221481.db2.gz YNZNEIGHZGUEBE-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CCC[C@@H](C)CC3)c2=S)cc1 ZINC000794623136 1137221546 /nfs/dbraw/zinc/22/15/46/1137221546.db2.gz JYUDDUSSFWMOBA-CQSZACIVSA-N 1 2 346.500 3.800 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CCC[C@@H](C)CC3)c2=S)cc1 ZINC000794623136 1137221548 /nfs/dbraw/zinc/22/15/48/1137221548.db2.gz JYUDDUSSFWMOBA-CQSZACIVSA-N 1 2 346.500 3.800 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458271 1137221723 /nfs/dbraw/zinc/22/17/23/1137221723.db2.gz NWMTUZQHWAJWRF-BETUJISGSA-N 1 2 346.215 3.935 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001143976745 1137222528 /nfs/dbraw/zinc/22/25/28/1137222528.db2.gz LSMSEQZRJRRIQJ-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001143976745 1137222530 /nfs/dbraw/zinc/22/25/30/1137222530.db2.gz LSMSEQZRJRRIQJ-CQSZACIVSA-N 1 2 337.341 3.766 20 0 EHADLO C[C@]1(O)CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000794673178 1137224963 /nfs/dbraw/zinc/22/49/63/1137224963.db2.gz RNOGJYMDVFCWOM-INIZCTEOSA-N 1 2 341.427 3.762 20 0 EHADLO C[C@]1(O)CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000794673178 1137224964 /nfs/dbraw/zinc/22/49/64/1137224964.db2.gz RNOGJYMDVFCWOM-INIZCTEOSA-N 1 2 341.427 3.762 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCc2ncsc2C1 ZINC001144004717 1137225147 /nfs/dbraw/zinc/22/51/47/1137225147.db2.gz HFNLJHTUWZPZKP-UHFFFAOYSA-N 1 2 344.358 3.609 20 0 EHADLO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCc2ncsc2C1 ZINC001144004717 1137225149 /nfs/dbraw/zinc/22/51/49/1137225149.db2.gz HFNLJHTUWZPZKP-UHFFFAOYSA-N 1 2 344.358 3.609 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(OC(F)(F)F)c1 ZINC001144045941 1137231428 /nfs/dbraw/zinc/23/14/28/1137231428.db2.gz MGHFSZXNURSNIJ-WBMJQRKESA-N 1 2 345.361 3.595 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(OC(F)(F)F)c1 ZINC001144045941 1137231429 /nfs/dbraw/zinc/23/14/29/1137231429.db2.gz MGHFSZXNURSNIJ-WBMJQRKESA-N 1 2 345.361 3.595 20 0 EHADLO CCOC(=O)c1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c(=S)s1 ZINC000794706242 1137237851 /nfs/dbraw/zinc/23/78/51/1137237851.db2.gz NNFPIZOYRHKOEZ-NSHDSACASA-N 1 2 343.518 3.566 20 0 EHADLO CCOC(=O)c1nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c(=S)s1 ZINC000794706242 1137237853 /nfs/dbraw/zinc/23/78/53/1137237853.db2.gz NNFPIZOYRHKOEZ-NSHDSACASA-N 1 2 343.518 3.566 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144125620 1137242105 /nfs/dbraw/zinc/24/21/05/1137242105.db2.gz NXTVWBXZEKEJLP-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144125620 1137242107 /nfs/dbraw/zinc/24/21/07/1137242107.db2.gz NXTVWBXZEKEJLP-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144135197 1137242684 /nfs/dbraw/zinc/24/26/84/1137242684.db2.gz RPOYOKDAODETDV-UHFFFAOYSA-N 1 2 342.817 3.595 20 0 EHADLO Fc1cc(F)c(CN2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC001144129221 1137244196 /nfs/dbraw/zinc/24/41/96/1137244196.db2.gz CSAGFGDFAOIOQJ-UHFFFAOYSA-N 1 2 326.774 3.529 20 0 EHADLO CC(C)(CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000865067173 1137261393 /nfs/dbraw/zinc/26/13/93/1137261393.db2.gz NWDMUCNKNFUPNM-UHFFFAOYSA-N 1 2 329.419 3.554 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865140842 1137264929 /nfs/dbraw/zinc/26/49/29/1137264929.db2.gz KPIYKKRJYNJXKB-GOEBONIOSA-N 1 2 329.419 3.524 20 0 EHADLO CC(C)(C)c1cn(Cc2cccc(C(=O)N3CCCCC3)c2)c[nH+]1 ZINC000865375042 1137278454 /nfs/dbraw/zinc/27/84/54/1137278454.db2.gz FNHGNLJDIGEILZ-UHFFFAOYSA-N 1 2 325.456 3.855 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@H]3c3cccnc3)nc[nH+]2)cc1 ZINC000865418706 1137281800 /nfs/dbraw/zinc/28/18/00/1137281800.db2.gz IFIHKQYKURYKPE-SFHVURJKSA-N 1 2 331.423 3.825 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@H]3c3cccnc3)[nH+]cn2)cc1 ZINC000865418706 1137281801 /nfs/dbraw/zinc/28/18/01/1137281801.db2.gz IFIHKQYKURYKPE-SFHVURJKSA-N 1 2 331.423 3.825 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2)n1cc[nH+]c1 ZINC000845277926 1137283156 /nfs/dbraw/zinc/28/31/56/1137283156.db2.gz KVLDNZJHZRGSSH-HNDBUQABSA-N 1 2 344.455 3.551 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cccnc2OCC(F)F)n1 ZINC000865515667 1137290722 /nfs/dbraw/zinc/29/07/22/1137290722.db2.gz UQBIVJLBLILZBX-UHFFFAOYSA-N 1 2 341.427 3.769 20 0 EHADLO C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1c(F)cccc1Cl ZINC000845485744 1137294476 /nfs/dbraw/zinc/29/44/76/1137294476.db2.gz UCKWPZBYKXWBDV-LLVKDONJSA-N 1 2 336.794 3.859 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)c(F)c1 ZINC001144447829 1137295083 /nfs/dbraw/zinc/29/50/83/1137295083.db2.gz UYURSXMGLJKNMY-ZDUSSCGKSA-N 1 2 331.387 3.814 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c(F)c1 ZINC001144447829 1137295085 /nfs/dbraw/zinc/29/50/85/1137295085.db2.gz UYURSXMGLJKNMY-ZDUSSCGKSA-N 1 2 331.387 3.814 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC001144488057 1137299636 /nfs/dbraw/zinc/29/96/36/1137299636.db2.gz BLUGNUZLCBJUPF-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC001144488057 1137299638 /nfs/dbraw/zinc/29/96/38/1137299638.db2.gz BLUGNUZLCBJUPF-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO C[C@H](CC(=O)N1CCc2cc(-c3ccccc3)oc2C1)n1cc[nH+]c1 ZINC000845702526 1137303214 /nfs/dbraw/zinc/30/32/14/1137303214.db2.gz VLPMTUQGIHSZIK-OAHLLOKOSA-N 1 2 335.407 3.679 20 0 EHADLO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1c(F)cc(O)cc1F ZINC001144542005 1137307101 /nfs/dbraw/zinc/30/71/01/1137307101.db2.gz OTQMJGFVPLXUEL-UHFFFAOYSA-N 1 2 346.299 3.759 20 0 EHADLO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1c(F)cc(O)cc1F ZINC001144542005 1137307103 /nfs/dbraw/zinc/30/71/03/1137307103.db2.gz OTQMJGFVPLXUEL-UHFFFAOYSA-N 1 2 346.299 3.759 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CC2CCC1CC2 ZINC000845754368 1137308641 /nfs/dbraw/zinc/30/86/41/1137308641.db2.gz AGXJKSZKJQWGMS-QUFRXWBVSA-N 1 2 344.503 3.524 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c(F)c1 ZINC001144555107 1137308821 /nfs/dbraw/zinc/30/88/21/1137308821.db2.gz VRXJCYCGKUQIDM-CQSZACIVSA-N 1 2 336.407 3.822 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c(F)c1 ZINC001144555107 1137308823 /nfs/dbraw/zinc/30/88/23/1137308823.db2.gz VRXJCYCGKUQIDM-CQSZACIVSA-N 1 2 336.407 3.822 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)n1 ZINC000865809366 1137313321 /nfs/dbraw/zinc/31/33/21/1137313321.db2.gz PYSUMTMVGQQHKM-UHFFFAOYSA-N 1 2 337.267 3.805 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144588598 1137313342 /nfs/dbraw/zinc/31/33/42/1137313342.db2.gz UODABERDFPNQCX-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2F)C1 ZINC001144588598 1137313344 /nfs/dbraw/zinc/31/33/44/1137313344.db2.gz UODABERDFPNQCX-ZDUSSCGKSA-N 1 2 330.241 3.898 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3ccnc(Cl)c3F)CC2)nc1 ZINC000845998596 1137324467 /nfs/dbraw/zinc/32/44/67/1137324467.db2.gz NNPUZXQNEPPLOK-UHFFFAOYSA-N 1 2 335.810 3.657 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666713 1137324846 /nfs/dbraw/zinc/32/48/46/1137324846.db2.gz MYHLRQWZEULOLH-LBPRGKRZSA-N 1 2 341.304 3.602 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1F ZINC001144666713 1137324848 /nfs/dbraw/zinc/32/48/48/1137324848.db2.gz MYHLRQWZEULOLH-LBPRGKRZSA-N 1 2 341.304 3.602 20 0 EHADLO Fc1cc(Cl)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1F ZINC001144727621 1137336879 /nfs/dbraw/zinc/33/68/79/1137336879.db2.gz ZOASOPLUQZPXKV-UHFFFAOYSA-N 1 2 336.760 3.534 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)OCCCO2 ZINC000866231817 1137337049 /nfs/dbraw/zinc/33/70/49/1137337049.db2.gz AEHBQGDVQVJJQU-OWZDWXTDSA-N 1 2 343.398 3.970 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(=S)n1C ZINC000794904775 1137338843 /nfs/dbraw/zinc/33/88/43/1137338843.db2.gz YLPJCQHNEDZKGG-SFHVURJKSA-N 1 2 348.491 3.835 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(=S)n1C ZINC000794904775 1137338844 /nfs/dbraw/zinc/33/88/44/1137338844.db2.gz YLPJCQHNEDZKGG-SFHVURJKSA-N 1 2 348.491 3.835 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc(-n2cccn2)cc1 ZINC000866276971 1137342006 /nfs/dbraw/zinc/34/20/06/1137342006.db2.gz YCABSOISKRBMGY-QMIHWGKISA-N 1 2 337.398 3.995 20 0 EHADLO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1nnc(C(C)C)s1 ZINC000866280459 1137342501 /nfs/dbraw/zinc/34/25/01/1137342501.db2.gz AAFMTFFJGNFOLV-CYBMUJFWSA-N 1 2 333.457 3.674 20 0 EHADLO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000866362584 1137349353 /nfs/dbraw/zinc/34/93/53/1137349353.db2.gz GDFFXDXLFKDOTR-VLIAUNLRSA-N 1 2 336.414 3.820 20 0 EHADLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc(N2CCCC2)n1 ZINC000866360007 1137349464 /nfs/dbraw/zinc/34/94/64/1137349464.db2.gz BQOFUZOVXFDLQJ-PXNSSMCTSA-N 1 2 341.430 3.552 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)C2CC2)cn1 ZINC000866398980 1137352059 /nfs/dbraw/zinc/35/20/59/1137352059.db2.gz NZDNIJZOKBRJMF-KFKAGJAMSA-N 1 2 328.387 3.603 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846766412 1137363992 /nfs/dbraw/zinc/36/39/92/1137363992.db2.gz RSZMQMXYNKWCNZ-UHFFFAOYSA-N 1 2 347.821 3.725 20 0 EHADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nn(C)cc3C(F)F)oc21 ZINC000866567532 1137365522 /nfs/dbraw/zinc/36/55/22/1137365522.db2.gz PYERGRIRAFRXRK-SNVBAGLBSA-N 1 2 335.354 3.963 20 0 EHADLO C[N@H+](Cc1cnc(Cl)c(F)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000846807806 1137368445 /nfs/dbraw/zinc/36/84/45/1137368445.db2.gz HRVFIFUSQFWCOT-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO C[N@@H+](Cc1cnc(Cl)c(F)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000846807806 1137368446 /nfs/dbraw/zinc/36/84/46/1137368446.db2.gz HRVFIFUSQFWCOT-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000846808252 1137368542 /nfs/dbraw/zinc/36/85/42/1137368542.db2.gz JWXFRPBUFZGVBD-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO CC[N@@H+](Cc1cnc(Cl)c(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000846808252 1137368544 /nfs/dbraw/zinc/36/85/44/1137368544.db2.gz JWXFRPBUFZGVBD-INIZCTEOSA-N 1 2 347.821 3.502 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000846837569 1137370782 /nfs/dbraw/zinc/37/07/82/1137370782.db2.gz XCOXSFQWBNTBAF-ZDUSSCGKSA-N 1 2 341.842 3.570 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000846837569 1137370784 /nfs/dbraw/zinc/37/07/84/1137370784.db2.gz XCOXSFQWBNTBAF-ZDUSSCGKSA-N 1 2 341.842 3.570 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nnc(-c2ccc(C)cc2)o1)OCC ZINC000846967460 1137379669 /nfs/dbraw/zinc/37/96/69/1137379669.db2.gz DBQNUSGPJDRZBY-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(C)cc2)o1)OCC ZINC000846967460 1137379671 /nfs/dbraw/zinc/37/96/71/1137379671.db2.gz DBQNUSGPJDRZBY-OAHLLOKOSA-N 1 2 347.459 3.827 20 0 EHADLO CCOC(C[N@H+](CC)Cc1coc(-c2ccc(F)cc2)n1)OCC ZINC000846967419 1137379745 /nfs/dbraw/zinc/37/97/45/1137379745.db2.gz CQSQRTKMVHXOKD-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1coc(-c2ccc(F)cc2)n1)OCC ZINC000846967419 1137379746 /nfs/dbraw/zinc/37/97/46/1137379746.db2.gz CQSQRTKMVHXOKD-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000867625584 1137382939 /nfs/dbraw/zinc/38/29/39/1137382939.db2.gz XZPURHPZGLAJKK-GFCCVEGCSA-N 1 2 338.395 3.606 20 0 EHADLO CN(c1ccc(Nc2ccc(CC(N)=O)cc2)c[nH+]1)C1CCCCC1 ZINC001212615427 1137388247 /nfs/dbraw/zinc/38/82/47/1137388247.db2.gz YHXABOKXZIMFPK-UHFFFAOYSA-N 1 2 338.455 3.622 20 0 EHADLO O=C(NC[C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001146661775 1137392442 /nfs/dbraw/zinc/39/24/42/1137392442.db2.gz NIWSIECFZPOSQH-GBESFXJTSA-N 1 2 349.478 3.899 20 0 EHADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001147226180 1137402968 /nfs/dbraw/zinc/40/29/68/1137402968.db2.gz HWGNWWKIKFYTTF-IAGOWNOFSA-N 1 2 329.444 3.619 20 0 EHADLO CCC(CC)(CNC(=O)NCc1cc(C)[nH+]c(C)c1)C(F)(F)F ZINC000868715350 1137420648 /nfs/dbraw/zinc/42/06/48/1137420648.db2.gz MSQIVJSPXDQQAM-UHFFFAOYSA-N 1 2 331.382 3.866 20 0 EHADLO O=C(c1ccccc1C1CC1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148473218 1137425670 /nfs/dbraw/zinc/42/56/70/1137425670.db2.gz WTOYXVKUHHJYCM-KRWDZBQOSA-N 1 2 334.410 3.510 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001148733017 1137432449 /nfs/dbraw/zinc/43/24/49/1137432449.db2.gz JDRCHEMNVYRAQQ-INIZCTEOSA-N 1 2 333.435 3.614 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001148733017 1137432450 /nfs/dbraw/zinc/43/24/50/1137432450.db2.gz JDRCHEMNVYRAQQ-INIZCTEOSA-N 1 2 333.435 3.614 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H](C)c2ccsc2)c1)[NH+]1CCOCC1 ZINC000348098855 1137440259 /nfs/dbraw/zinc/44/02/59/1137440259.db2.gz URSGGCWZVFHNIC-LSDHHAIUSA-N 1 2 344.480 3.884 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000348205973 1137454977 /nfs/dbraw/zinc/45/49/77/1137454977.db2.gz MQELZTGVKIUXCA-INIZCTEOSA-N 1 2 339.414 3.883 20 0 EHADLO Fc1ccccc1CO[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000348205973 1137454978 /nfs/dbraw/zinc/45/49/78/1137454978.db2.gz MQELZTGVKIUXCA-INIZCTEOSA-N 1 2 339.414 3.883 20 0 EHADLO CC(=O)Oc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)cc1 ZINC000122915078 1137475762 /nfs/dbraw/zinc/47/57/62/1137475762.db2.gz ALOBKUBZNHAWAG-UHFFFAOYSA-N 1 2 343.427 3.643 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601822 1137500068 /nfs/dbraw/zinc/50/00/68/1137500068.db2.gz MFOHHJBOHOEMNF-APIJFGDWSA-N 1 2 346.462 3.792 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601822 1137500069 /nfs/dbraw/zinc/50/00/69/1137500069.db2.gz MFOHHJBOHOEMNF-APIJFGDWSA-N 1 2 346.462 3.792 20 0 EHADLO Fc1cccc2c1C[C@H]([N@@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001171809705 1137514398 /nfs/dbraw/zinc/51/43/98/1137514398.db2.gz LPGFTCNBCUNKIR-QGZVFWFLSA-N 1 2 333.410 3.672 20 0 EHADLO Fc1cccc2c1C[C@H]([N@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001171809705 1137514399 /nfs/dbraw/zinc/51/43/99/1137514399.db2.gz LPGFTCNBCUNKIR-QGZVFWFLSA-N 1 2 333.410 3.672 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001171860085 1137516448 /nfs/dbraw/zinc/51/64/48/1137516448.db2.gz CXURIFJRXUOOHG-SFHVURJKSA-N 1 2 343.858 3.688 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001171860085 1137516449 /nfs/dbraw/zinc/51/64/49/1137516449.db2.gz CXURIFJRXUOOHG-SFHVURJKSA-N 1 2 343.858 3.688 20 0 EHADLO COCCOc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001212635063 1137526628 /nfs/dbraw/zinc/52/66/28/1137526628.db2.gz UJDFVRXBFPTBRQ-UHFFFAOYSA-N 1 2 327.428 3.841 20 0 EHADLO C[N@H+](Cc1ccc2n1CCC2)Cc1cccc(Br)c1F ZINC001248823764 1137538164 /nfs/dbraw/zinc/53/81/64/1137538164.db2.gz KPWPHJOGPCKAQA-UHFFFAOYSA-N 1 2 337.236 3.968 20 0 EHADLO C[N@@H+](Cc1ccc2n1CCC2)Cc1cccc(Br)c1F ZINC001248823764 1137538165 /nfs/dbraw/zinc/53/81/65/1137538165.db2.gz KPWPHJOGPCKAQA-UHFFFAOYSA-N 1 2 337.236 3.968 20 0 EHADLO Cc1cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)o1 ZINC000123761561 1137557538 /nfs/dbraw/zinc/55/75/38/1137557538.db2.gz HDMRLWNSJZPZAH-OALUTQOASA-N 1 2 348.874 3.711 20 0 EHADLO Cc1cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)o1 ZINC000123761561 1137557539 /nfs/dbraw/zinc/55/75/39/1137557539.db2.gz HDMRLWNSJZPZAH-OALUTQOASA-N 1 2 348.874 3.711 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3cccc4ncccc34)c[nH+]2)C[C@H](C)O1 ZINC000871861922 1137561257 /nfs/dbraw/zinc/56/12/57/1137561257.db2.gz PWGBPKPXXOTZLE-IYBDPMFKSA-N 1 2 348.450 3.856 20 0 EHADLO CSc1ccccc1CN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000795198813 1137565266 /nfs/dbraw/zinc/56/52/66/1137565266.db2.gz RGZTZSNPYOSOJI-UHFFFAOYSA-N 1 2 341.484 3.940 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1nccn1C ZINC000872117604 1137572460 /nfs/dbraw/zinc/57/24/60/1137572460.db2.gz UAGJUYJTFGXWMY-NSHDSACASA-N 1 2 332.757 3.728 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000872135321 1137573603 /nfs/dbraw/zinc/57/36/03/1137573603.db2.gz FOQMVRBDDMZJML-CYBMUJFWSA-N 1 2 325.384 3.860 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccsc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000872816741 1137584815 /nfs/dbraw/zinc/58/48/15/1137584815.db2.gz NKHWMRGCQQVKCJ-BXUZGUMPSA-N 1 2 345.390 3.611 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccsc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000872816741 1137584816 /nfs/dbraw/zinc/58/48/16/1137584816.db2.gz NKHWMRGCQQVKCJ-BXUZGUMPSA-N 1 2 345.390 3.611 20 0 EHADLO Cc1sc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Br ZINC000873132172 1137590959 /nfs/dbraw/zinc/59/09/59/1137590959.db2.gz KEWBQLYBFTZRHG-UHFFFAOYSA-N 1 2 344.303 3.838 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1ccc(Br)cn1 ZINC000873152326 1137591353 /nfs/dbraw/zinc/59/13/53/1137591353.db2.gz LBTXYRLEHJMLLA-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H](C)c2nccnc2C)cc1Cl ZINC000873186458 1137593166 /nfs/dbraw/zinc/59/31/66/1137593166.db2.gz BJUJTMQOMDKLED-JTQLQIEISA-N 1 2 326.227 3.951 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)Cc2ccccc21 ZINC000873819825 1137607027 /nfs/dbraw/zinc/60/70/27/1137607027.db2.gz SDBKCCARORNZGC-IUODEOHRSA-N 1 2 337.345 3.523 20 0 EHADLO Cc1ccsc1-c1nn(C[N@H+](C)CC2CCOCC2)c(=S)o1 ZINC000124728476 1137608187 /nfs/dbraw/zinc/60/81/87/1137608187.db2.gz NDCXLHDYUFLWEL-UHFFFAOYSA-N 1 2 339.486 3.558 20 0 EHADLO Cc1ccsc1-c1nn(C[N@@H+](C)CC2CCOCC2)c(=S)o1 ZINC000124728476 1137608188 /nfs/dbraw/zinc/60/81/88/1137608188.db2.gz NDCXLHDYUFLWEL-UHFFFAOYSA-N 1 2 339.486 3.558 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3(OC(C)C)CCC3)c2)[nH+]c1C ZINC000874161315 1137611358 /nfs/dbraw/zinc/61/13/58/1137611358.db2.gz RIMKTBOEQLRWQZ-UHFFFAOYSA-N 1 2 327.428 3.980 20 0 EHADLO CC[C@@](C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000874443274 1137614217 /nfs/dbraw/zinc/61/42/17/1137614217.db2.gz FFHARGHYSMIRDF-GOEBONIOSA-N 1 2 339.361 3.818 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874895028 1137625767 /nfs/dbraw/zinc/62/57/67/1137625767.db2.gz ABPUHEXAPKQAHH-MRXNPFEDSA-N 1 2 334.341 3.550 20 0 EHADLO Cc1ccc(N(C(=O)C[C@@H](C)n2cc[nH+]c2)C2CCOCC2)cc1C ZINC000876045772 1137642913 /nfs/dbraw/zinc/64/29/13/1137642913.db2.gz MBWUCVDSMUZWJL-QGZVFWFLSA-N 1 2 341.455 3.663 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(Cc3ccccc3)CCC2)c1C ZINC000125918811 1137650074 /nfs/dbraw/zinc/65/00/74/1137650074.db2.gz USOSOXYDDFCTQA-UHFFFAOYSA-N 1 2 338.451 3.736 20 0 EHADLO Brc1ncccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000876659737 1137658443 /nfs/dbraw/zinc/65/84/43/1137658443.db2.gz FFHBACYQAPTHPK-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO Cc1cc([NH+](C)C)ccc1NCc1ccccc1OCCCCO ZINC000876818043 1137662562 /nfs/dbraw/zinc/66/25/62/1137662562.db2.gz KSVBCBWXAYHUKS-UHFFFAOYSA-N 1 2 328.456 3.824 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000825955560 1137674211 /nfs/dbraw/zinc/67/42/11/1137674211.db2.gz OHVJHZNJMHCMKZ-HNNXBMFYSA-N 1 2 344.405 3.814 20 0 EHADLO CCOc1cccc(F)c1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000877391090 1137675284 /nfs/dbraw/zinc/67/52/84/1137675284.db2.gz MPZAWPCMKZLIBZ-MRXNPFEDSA-N 1 2 349.368 3.750 20 0 EHADLO COc1cc(NCc2[nH+]cc(C)c(OC)c2C)cc(Cl)c1OC ZINC000877610123 1137682784 /nfs/dbraw/zinc/68/27/84/1137682784.db2.gz LVKHRGDZNYINTE-UHFFFAOYSA-N 1 2 336.819 3.990 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137876752 1137684884 /nfs/dbraw/zinc/68/48/84/1137684884.db2.gz YTSZLXILUZDFSM-GFCCVEGCSA-N 1 2 344.833 3.699 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137876752 1137684885 /nfs/dbraw/zinc/68/48/85/1137684885.db2.gz YTSZLXILUZDFSM-GFCCVEGCSA-N 1 2 344.833 3.699 20 0 EHADLO Clc1ncccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735774 1137687150 /nfs/dbraw/zinc/68/71/50/1137687150.db2.gz GPLBWMFAARHGPY-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)[nH]n1 ZINC000877784644 1137690130 /nfs/dbraw/zinc/69/01/30/1137690130.db2.gz SUMARGRWXYTNTK-LLVKDONJSA-N 1 2 341.381 3.655 20 0 EHADLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)[nH]n1 ZINC000877784644 1137690131 /nfs/dbraw/zinc/69/01/31/1137690131.db2.gz SUMARGRWXYTNTK-LLVKDONJSA-N 1 2 341.381 3.655 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H](C(F)(F)F)O1 ZINC000877825101 1137692394 /nfs/dbraw/zinc/69/23/94/1137692394.db2.gz XAIZCWBYIRUYCP-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@H](C(F)(F)F)O1 ZINC000877825101 1137692395 /nfs/dbraw/zinc/69/23/95/1137692395.db2.gz XAIZCWBYIRUYCP-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000877909495 1137695307 /nfs/dbraw/zinc/69/53/07/1137695307.db2.gz MCZKFRCZGPDVEF-UHFFFAOYSA-N 1 2 339.476 3.518 20 0 EHADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000877909495 1137695308 /nfs/dbraw/zinc/69/53/08/1137695308.db2.gz MCZKFRCZGPDVEF-UHFFFAOYSA-N 1 2 339.476 3.518 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(OC(C)(C)C)c3)sc2C1 ZINC000877965801 1137697464 /nfs/dbraw/zinc/69/74/64/1137697464.db2.gz OSXOWHZTBOYSDK-UHFFFAOYSA-N 1 2 345.468 3.561 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(OC(C)(C)C)c3)sc2C1 ZINC000877965801 1137697465 /nfs/dbraw/zinc/69/74/65/1137697465.db2.gz OSXOWHZTBOYSDK-UHFFFAOYSA-N 1 2 345.468 3.561 20 0 EHADLO Clc1ncsc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000878043606 1137700533 /nfs/dbraw/zinc/70/05/33/1137700533.db2.gz ZGOPUOVDKWSQMV-LBPRGKRZSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncsc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000878043606 1137700534 /nfs/dbraw/zinc/70/05/34/1137700534.db2.gz ZGOPUOVDKWSQMV-LBPRGKRZSA-N 1 2 336.844 3.905 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2ncccc2Br)CC2CC2)c1 ZINC000878103992 1137702422 /nfs/dbraw/zinc/70/24/22/1137702422.db2.gz POPNPFUTOUBRDQ-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO Oc1cccc(C[N@H+](Cc2ncccc2Br)CC2CC2)c1 ZINC000878103992 1137702423 /nfs/dbraw/zinc/70/24/23/1137702423.db2.gz POPNPFUTOUBRDQ-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000878138329 1137704101 /nfs/dbraw/zinc/70/41/01/1137704101.db2.gz FDONEGCJNYAWCS-CXAGYDPISA-N 1 2 327.403 3.551 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000878138329 1137704102 /nfs/dbraw/zinc/70/41/02/1137704102.db2.gz FDONEGCJNYAWCS-CXAGYDPISA-N 1 2 327.403 3.551 20 0 EHADLO Cc1nc(C2([NH2+]C[C@@H]3CC[C@H](c4ccccc4)O3)CCCC2)no1 ZINC000878146977 1137704344 /nfs/dbraw/zinc/70/43/44/1137704344.db2.gz WDBCGHCLBBIVGR-DLBZAZTESA-N 1 2 327.428 3.657 20 0 EHADLO c1coc([C@H]2C[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181103 1137706148 /nfs/dbraw/zinc/70/61/48/1137706148.db2.gz LCMAKAVIUCXKQF-WSTZPKSXSA-N 1 2 327.424 3.963 20 0 EHADLO c1coc([C@H]2C[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878181103 1137706149 /nfs/dbraw/zinc/70/61/49/1137706149.db2.gz LCMAKAVIUCXKQF-WSTZPKSXSA-N 1 2 327.424 3.963 20 0 EHADLO C=C/C=C\CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000878300438 1137710408 /nfs/dbraw/zinc/71/04/08/1137710408.db2.gz DUWQXOAMTYMSQU-JEZUCGJFSA-N 1 2 343.471 3.550 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2s1 ZINC000878720265 1137726178 /nfs/dbraw/zinc/72/61/78/1137726178.db2.gz MELKXTHTWSCRKT-CQSZACIVSA-N 1 2 345.493 3.874 20 0 EHADLO COCCCC[N@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878719059 1137726220 /nfs/dbraw/zinc/72/62/20/1137726220.db2.gz OZVWGWTYPXIJEF-UHFFFAOYSA-N 1 2 344.242 3.902 20 0 EHADLO COCCCC[N@@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878719059 1137726221 /nfs/dbraw/zinc/72/62/21/1137726221.db2.gz OZVWGWTYPXIJEF-UHFFFAOYSA-N 1 2 344.242 3.902 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878813180 1137728832 /nfs/dbraw/zinc/72/88/32/1137728832.db2.gz JMNCPSNBFPCEIL-NHYWBVRUSA-N 1 2 328.790 3.707 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878813180 1137728833 /nfs/dbraw/zinc/72/88/33/1137728833.db2.gz JMNCPSNBFPCEIL-NHYWBVRUSA-N 1 2 328.790 3.707 20 0 EHADLO C[N@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)CC1(C)COC1 ZINC000879034371 1137736062 /nfs/dbraw/zinc/73/60/62/1137736062.db2.gz BMHCGYVYDWFINI-UHFFFAOYSA-N 1 2 342.226 3.512 20 0 EHADLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2Cl)n1)CC1(C)COC1 ZINC000879034371 1137736063 /nfs/dbraw/zinc/73/60/63/1137736063.db2.gz BMHCGYVYDWFINI-UHFFFAOYSA-N 1 2 342.226 3.512 20 0 EHADLO C[N@H+](CCc1ccc(C(N)=O)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000879064805 1137736795 /nfs/dbraw/zinc/73/67/95/1137736795.db2.gz PELDWHIPAJDCFV-SFHVURJKSA-N 1 2 346.421 3.526 20 0 EHADLO C[N@@H+](CCc1ccc(C(N)=O)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000879064805 1137736796 /nfs/dbraw/zinc/73/67/96/1137736796.db2.gz PELDWHIPAJDCFV-SFHVURJKSA-N 1 2 346.421 3.526 20 0 EHADLO COc1ccc(C[N@H+](C/C(Cl)=C\Cl)[C@H](C)CCCO)cc1 ZINC000879287537 1137743485 /nfs/dbraw/zinc/74/34/85/1137743485.db2.gz KEVMZYWQRNAUAA-QQFZQELXSA-N 1 2 332.271 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C/C(Cl)=C\Cl)[C@H](C)CCCO)cc1 ZINC000879287537 1137743486 /nfs/dbraw/zinc/74/34/86/1137743486.db2.gz KEVMZYWQRNAUAA-QQFZQELXSA-N 1 2 332.271 3.977 20 0 EHADLO O=C(c1ncsc1C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000879446472 1137748037 /nfs/dbraw/zinc/74/80/37/1137748037.db2.gz YPWOVPFUUZVXOO-UHFFFAOYSA-N 1 2 344.484 3.550 20 0 EHADLO Cc1ccccc1Nc1nc(C[NH2+][C@H](C)c2ccnn2C)cs1 ZINC000879684259 1137755233 /nfs/dbraw/zinc/75/52/33/1137755233.db2.gz HPHBCGDIAKAAOP-CYBMUJFWSA-N 1 2 327.457 3.779 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882754 1137761060 /nfs/dbraw/zinc/76/10/60/1137761060.db2.gz DWHCMQGKRLYWJR-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882754 1137761061 /nfs/dbraw/zinc/76/10/61/1137761061.db2.gz DWHCMQGKRLYWJR-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001569 1137764240 /nfs/dbraw/zinc/76/42/40/1137764240.db2.gz QYDBWPQROBXFMI-BMIGLBTASA-N 1 2 325.334 3.671 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001569 1137764241 /nfs/dbraw/zinc/76/42/41/1137764241.db2.gz QYDBWPQROBXFMI-BMIGLBTASA-N 1 2 325.334 3.671 20 0 EHADLO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008394 1137764947 /nfs/dbraw/zinc/76/49/47/1137764947.db2.gz AFRISAARXMLZCZ-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008394 1137764948 /nfs/dbraw/zinc/76/49/48/1137764948.db2.gz AFRISAARXMLZCZ-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1cccc2c(C[N@@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)[nH]nc21 ZINC001137149508 1137766544 /nfs/dbraw/zinc/76/65/44/1137766544.db2.gz WQTIKVKAFHBABV-FQEVSTJZSA-N 1 2 339.414 3.758 20 0 EHADLO Cc1cccc2c(C[N@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)[nH]nc21 ZINC001137149508 1137766545 /nfs/dbraw/zinc/76/65/45/1137766545.db2.gz WQTIKVKAFHBABV-FQEVSTJZSA-N 1 2 339.414 3.758 20 0 EHADLO O[C@H]1C[C@]([NH2+]Cc2ncc(-c3ccccc3F)o2)(c2ccccc2)C1 ZINC000880225404 1137771416 /nfs/dbraw/zinc/77/14/16/1137771416.db2.gz QPKLASKOOFMALZ-GSXCWMCISA-N 1 2 338.382 3.621 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@H]1CCC2(CCC2)O1)C3 ZINC000880368116 1137776557 /nfs/dbraw/zinc/77/65/57/1137776557.db2.gz XGDOOWVVAPZXBH-OAHLLOKOSA-N 1 2 326.440 3.636 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@H]1CCC2(CCC2)O1)C3 ZINC000880368116 1137776558 /nfs/dbraw/zinc/77/65/58/1137776558.db2.gz XGDOOWVVAPZXBH-OAHLLOKOSA-N 1 2 326.440 3.636 20 0 EHADLO c1ccc(COc2cccc(C[NH2+]C3(c4ncccn4)CCC3)c2)nc1 ZINC000880368208 1137776671 /nfs/dbraw/zinc/77/66/71/1137776671.db2.gz SDTKLTFBSBEEET-UHFFFAOYSA-N 1 2 346.434 3.620 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CC(C)(C)C)CC(F)(F)F)ccn12 ZINC000888820187 1137781263 /nfs/dbraw/zinc/78/12/63/1137781263.db2.gz SZYBHWGZFBUTPC-UHFFFAOYSA-N 1 2 327.350 3.693 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000626133943 1137785403 /nfs/dbraw/zinc/78/54/03/1137785403.db2.gz XLSPKNXSERGZBL-WMLDXEAASA-N 1 2 342.487 3.627 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000626133943 1137785404 /nfs/dbraw/zinc/78/54/04/1137785404.db2.gz XLSPKNXSERGZBL-WMLDXEAASA-N 1 2 342.487 3.627 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000880863028 1137791952 /nfs/dbraw/zinc/79/19/52/1137791952.db2.gz UDWQYODUFORRFG-UHFFFAOYSA-N 1 2 340.427 3.707 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000880863028 1137791953 /nfs/dbraw/zinc/79/19/53/1137791953.db2.gz UDWQYODUFORRFG-UHFFFAOYSA-N 1 2 340.427 3.707 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2(C)C)cc1 ZINC000881660024 1137813244 /nfs/dbraw/zinc/81/32/44/1137813244.db2.gz JQZCQFSMEWQAPN-ROUUACIJSA-N 1 2 337.467 3.549 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000882034438 1137819513 /nfs/dbraw/zinc/81/95/13/1137819513.db2.gz RIHQNKREZANDHD-UTKZUKDTSA-N 1 2 339.483 3.992 20 0 EHADLO CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000882034438 1137819514 /nfs/dbraw/zinc/81/95/14/1137819514.db2.gz RIHQNKREZANDHD-UTKZUKDTSA-N 1 2 339.483 3.992 20 0 EHADLO C[C@]1(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000882871356 1137836127 /nfs/dbraw/zinc/83/61/27/1137836127.db2.gz FLFQSXWMAQDIMH-URVUXULASA-N 1 2 345.446 3.934 20 0 EHADLO O=C(C[C@@H]1CCC(F)(F)C1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871412 1137836239 /nfs/dbraw/zinc/83/62/39/1137836239.db2.gz GWMJSQDGYZXSJN-HOCLYGCPSA-N 1 2 333.382 3.566 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882881566 1137836604 /nfs/dbraw/zinc/83/66/04/1137836604.db2.gz SPOZFAJDBAIXOK-UHFFFAOYSA-N 1 2 337.471 3.685 20 0 EHADLO C[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1c(F)cccc1Cl ZINC000883027651 1137841989 /nfs/dbraw/zinc/84/19/89/1137841989.db2.gz ISPNPORZGULJSU-SNVBAGLBSA-N 1 2 339.867 3.853 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)cs1 ZINC000883275172 1137852000 /nfs/dbraw/zinc/85/20/00/1137852000.db2.gz JGJLHIMKRXIUAB-TVQRCGJNSA-N 1 2 341.274 3.598 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cc(C(F)(F)F)nn1C ZINC000883377759 1137857997 /nfs/dbraw/zinc/85/79/97/1137857997.db2.gz PMQKUIGEKSVXGW-UHFFFAOYSA-N 1 2 330.379 3.699 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1ccc(-n2cncn2)c(C)c1 ZINC000883378483 1137858010 /nfs/dbraw/zinc/85/80/10/1137858010.db2.gz NFFNKJKYRYYYAA-UHFFFAOYSA-N 1 2 339.468 3.836 20 0 EHADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000883382871 1137858383 /nfs/dbraw/zinc/85/83/83/1137858383.db2.gz OOHRRCRACWDOHV-HZPDHXFCSA-N 1 2 335.220 3.959 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000883463362 1137861199 /nfs/dbraw/zinc/86/11/99/1137861199.db2.gz NXSMOGNMQGZGNF-OAHLLOKOSA-N 1 2 326.425 3.833 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000883534788 1137862966 /nfs/dbraw/zinc/86/29/66/1137862966.db2.gz VUEZWLWYFLABNZ-HOTGVXAUSA-N 1 2 348.397 3.502 20 0 EHADLO C[C@@H](NC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1)c1ccccc1 ZINC000626178614 1137867127 /nfs/dbraw/zinc/86/71/27/1137867127.db2.gz AUWGLOADKHIRRL-CQSZACIVSA-N 1 2 344.405 3.811 20 0 EHADLO O=C(c1ccc(Cl)c2cccnc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863000 1137871864 /nfs/dbraw/zinc/87/18/64/1137871864.db2.gz QIROYQQEAKURBE-UHFFFAOYSA-N 1 2 340.814 3.562 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000282844990 1137875230 /nfs/dbraw/zinc/87/52/30/1137875230.db2.gz CXVXQWSIZFFMSE-GUYCJALGSA-N 1 2 332.469 3.603 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000282844990 1137875231 /nfs/dbraw/zinc/87/52/31/1137875231.db2.gz CXVXQWSIZFFMSE-GUYCJALGSA-N 1 2 332.469 3.603 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC001202561296 1137876241 /nfs/dbraw/zinc/87/62/41/1137876241.db2.gz DRXDFLXHNFRKJI-SFHVURJKSA-N 1 2 344.480 3.610 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001202561296 1137876242 /nfs/dbraw/zinc/87/62/42/1137876242.db2.gz DRXDFLXHNFRKJI-SFHVURJKSA-N 1 2 344.480 3.610 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000103474630 1137876568 /nfs/dbraw/zinc/87/65/68/1137876568.db2.gz XTIBVFQOWLNGMG-HZPDHXFCSA-N 1 2 342.487 3.783 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000103474630 1137876569 /nfs/dbraw/zinc/87/65/69/1137876569.db2.gz XTIBVFQOWLNGMG-HZPDHXFCSA-N 1 2 342.487 3.783 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)o2)c(C)o1 ZINC000348249148 1137877713 /nfs/dbraw/zinc/87/77/13/1137877713.db2.gz QONJCONBURSBMB-SKDRFNHKSA-N 1 2 329.322 3.719 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)o2)c(C)o1 ZINC000348249148 1137877714 /nfs/dbraw/zinc/87/77/14/1137877714.db2.gz QONJCONBURSBMB-SKDRFNHKSA-N 1 2 329.322 3.719 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105020474 1137879885 /nfs/dbraw/zinc/87/98/85/1137879885.db2.gz UVSWOJFMYLODQR-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CCc1cccc(CC)c1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105350230 1137880801 /nfs/dbraw/zinc/88/08/01/1137880801.db2.gz NBFYTWRDOWXLTE-UHFFFAOYSA-N 1 2 326.444 3.877 20 0 EHADLO Cc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)on1 ZINC000105455745 1137881091 /nfs/dbraw/zinc/88/10/91/1137881091.db2.gz ZOYWDHRYFIZCJC-UHFFFAOYSA-N 1 2 334.782 3.559 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1c(F)cccc1F ZINC000107178619 1137885845 /nfs/dbraw/zinc/88/58/45/1137885845.db2.gz FTRNEACQJMELOR-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000109763967 1137897234 /nfs/dbraw/zinc/89/72/34/1137897234.db2.gz NGJLHSSZYVDBRC-UHFFFAOYSA-N 1 2 339.443 3.623 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000111376172 1137904396 /nfs/dbraw/zinc/90/43/96/1137904396.db2.gz LZLQDRYDSDLDJH-UWVGGRQHSA-N 1 2 339.411 3.662 20 0 EHADLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000112353254 1137907297 /nfs/dbraw/zinc/90/72/97/1137907297.db2.gz WVVLGGZMVIROQH-NSHDSACASA-N 1 2 345.270 3.679 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3CCc4cccc(C)c4C3)n2)cc1 ZINC000429564595 1137918782 /nfs/dbraw/zinc/91/87/82/1137918782.db2.gz GDEDSTCGXDCDDU-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3CCc4cccc(C)c4C3)n2)cc1 ZINC000429564595 1137918783 /nfs/dbraw/zinc/91/87/83/1137918783.db2.gz GDEDSTCGXDCDDU-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000348301768 1137919760 /nfs/dbraw/zinc/91/97/60/1137919760.db2.gz ATFYJJUOLCHDHX-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000348301768 1137919761 /nfs/dbraw/zinc/91/97/61/1137919761.db2.gz ATFYJJUOLCHDHX-GFCCVEGCSA-N 1 2 349.887 3.916 20 0 EHADLO CCc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnn1C(CC)CC ZINC000331880009 1137924216 /nfs/dbraw/zinc/92/42/16/1137924216.db2.gz GCGTXCROUKMTDY-UHFFFAOYSA-N 1 2 343.475 3.550 20 0 EHADLO Cc1ccc2c(c1)nc(CNC(=O)Nc1c(C)cc(C)[nH+]c1C)n2C ZINC000331884011 1137924525 /nfs/dbraw/zinc/92/45/25/1137924525.db2.gz FKHXZFATYKUMPF-UHFFFAOYSA-N 1 2 337.427 3.524 20 0 EHADLO CN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1CCC(C(C)(C)C)CC1 ZINC000332000891 1137928164 /nfs/dbraw/zinc/92/81/64/1137928164.db2.gz WDANQAQRNUXCHU-UHFFFAOYSA-N 1 2 346.519 3.966 20 0 EHADLO CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000332068779 1137930708 /nfs/dbraw/zinc/93/07/08/1137930708.db2.gz VGFUTAQJNWHWEX-INIZCTEOSA-N 1 2 341.459 3.982 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2CCOc3ccc(F)cc32)c(C)[nH+]1 ZINC000332110609 1137932076 /nfs/dbraw/zinc/93/20/76/1137932076.db2.gz BWPMNRRRCMCDTD-HNNXBMFYSA-N 1 2 329.375 3.791 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332151946 1137933636 /nfs/dbraw/zinc/93/36/36/1137933636.db2.gz INRJUROEONIVKR-BRSBDYLESA-N 1 2 347.503 3.593 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ncc(Br)cn1 ZINC000332289434 1137938626 /nfs/dbraw/zinc/93/86/26/1137938626.db2.gz DGLNDHUIDIYAKA-IINYFYTJSA-N 1 2 348.244 3.673 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCc3cccc(Cl)c3Cl)C2)O1 ZINC000332410759 1137943095 /nfs/dbraw/zinc/94/30/95/1137943095.db2.gz JTGJZQKARCPTME-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](CCc3cccc(Cl)c3Cl)C2)O1 ZINC000332410759 1137943096 /nfs/dbraw/zinc/94/30/96/1137943096.db2.gz JTGJZQKARCPTME-LLVKDONJSA-N 1 2 342.226 3.504 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000119806432 1137944584 /nfs/dbraw/zinc/94/45/84/1137944584.db2.gz URNZQLLKFUILSS-UHFFFAOYSA-N 1 2 338.455 3.520 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000119980726 1137945682 /nfs/dbraw/zinc/94/56/82/1137945682.db2.gz JJVFBQJEGTWJQN-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000119980726 1137945683 /nfs/dbraw/zinc/94/56/83/1137945683.db2.gz JJVFBQJEGTWJQN-AWEZNQCLSA-N 1 2 333.863 3.754 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120311032 1137948414 /nfs/dbraw/zinc/94/84/14/1137948414.db2.gz WPKQTMFDCADSGT-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120311032 1137948415 /nfs/dbraw/zinc/94/84/15/1137948415.db2.gz WPKQTMFDCADSGT-NSHDSACASA-N 1 2 340.254 3.791 20 0 EHADLO Cc1cnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)o1 ZINC000884487846 1137961196 /nfs/dbraw/zinc/96/11/96/1137961196.db2.gz GUZXJUKUCNAPDY-UHFFFAOYSA-N 1 2 338.411 3.715 20 0 EHADLO Cc1ccn2cc(C[NH2+]Cc3ccc(Br)cc3F)nc2c1 ZINC001649166817 1137968074 /nfs/dbraw/zinc/96/80/74/1137968074.db2.gz ZKXWHHPQVLAEAH-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO CC[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)c1nccn1C ZINC000348331597 1137972675 /nfs/dbraw/zinc/97/26/75/1137972675.db2.gz VWGJDRSCCXDWHK-ZDUSSCGKSA-N 1 2 333.304 3.958 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)ccc2c1 ZINC001137218633 1138005884 /nfs/dbraw/zinc/00/58/84/1138005884.db2.gz GQCCFMOIUQFOBA-UHFFFAOYSA-N 1 2 339.483 3.624 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000890248909 1138023463 /nfs/dbraw/zinc/02/34/63/1138023463.db2.gz VBHZOGVJSJOFDM-GOSISDBHSA-N 1 2 326.444 3.599 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2coc(-c3ccccc3)n2)c1OC ZINC000885998845 1138031343 /nfs/dbraw/zinc/03/13/43/1138031343.db2.gz CCZPZSXZUVMEFA-UHFFFAOYSA-N 1 2 338.407 3.957 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c(F)c1OC ZINC000886021035 1138032834 /nfs/dbraw/zinc/03/28/34/1138032834.db2.gz NPEOCONRHQVLCB-ZDUSSCGKSA-N 1 2 337.778 3.720 20 0 EHADLO CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000056664774 1138058606 /nfs/dbraw/zinc/05/86/06/1138058606.db2.gz OEJKQFYRQOXJMW-LSDHHAIUSA-N 1 2 340.427 3.811 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(C3CC3)no2)c(Br)c1 ZINC000886270720 1138063189 /nfs/dbraw/zinc/06/31/89/1138063189.db2.gz KUZFQEWLGMTVEI-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000886433536 1138076451 /nfs/dbraw/zinc/07/64/51/1138076451.db2.gz NACLMSYWXDSLFN-GOSISDBHSA-N 1 2 340.398 3.955 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000886433536 1138076454 /nfs/dbraw/zinc/07/64/54/1138076454.db2.gz NACLMSYWXDSLFN-GOSISDBHSA-N 1 2 340.398 3.955 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)o1 ZINC000070786666 1138095560 /nfs/dbraw/zinc/09/55/60/1138095560.db2.gz GNOPSCFXJCZQRS-GFCCVEGCSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)o1 ZINC000070786666 1138095562 /nfs/dbraw/zinc/09/55/62/1138095562.db2.gz GNOPSCFXJCZQRS-GFCCVEGCSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1Cl ZINC000072581234 1138106028 /nfs/dbraw/zinc/10/60/28/1138106028.db2.gz HAMLKKRHCBIVGK-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO Cc1ccc2c(C[NH2+]C(C)(C)c3nccs3)cc(=O)oc2c1C ZINC000072662337 1138106983 /nfs/dbraw/zinc/10/69/83/1138106983.db2.gz AYLHVBCUVKVZCK-UHFFFAOYSA-N 1 2 328.437 3.891 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802224 1138107817 /nfs/dbraw/zinc/10/78/17/1138107817.db2.gz NIIJVLVTEZNBHW-UHFFFAOYSA-N 1 2 329.341 3.970 20 0 EHADLO Fc1ccccc1Cc1noc(C[NH2+][C@@H]2CCCc3ccccc32)n1 ZINC000886712701 1138123061 /nfs/dbraw/zinc/12/30/61/1138123061.db2.gz KADNTMJUSKPFRE-GOSISDBHSA-N 1 2 337.398 3.967 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000886721679 1138125459 /nfs/dbraw/zinc/12/54/59/1138125459.db2.gz HAQWTWKXNVEGTK-UHFFFAOYSA-N 1 2 328.412 3.505 20 0 EHADLO CC(C)OC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000886722042 1138125671 /nfs/dbraw/zinc/12/56/71/1138125671.db2.gz SEKXZXLCTDXPOZ-LBPRGKRZSA-N 1 2 349.456 3.523 20 0 EHADLO C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1Cl ZINC000076318130 1138130750 /nfs/dbraw/zinc/13/07/50/1138130750.db2.gz UVZNAXIBAMGVJQ-SJCJKPOMSA-N 1 2 334.822 3.959 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1Cl ZINC000076318151 1138130841 /nfs/dbraw/zinc/13/08/41/1138130841.db2.gz UVZNAXIBAMGVJQ-SJKOYZFVSA-N 1 2 334.822 3.959 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)cc1 ZINC000076342461 1138130889 /nfs/dbraw/zinc/13/08/89/1138130889.db2.gz IKGTUCSAGYUIEV-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)cc1 ZINC000076342461 1138130891 /nfs/dbraw/zinc/13/08/91/1138130891.db2.gz IKGTUCSAGYUIEV-CYBMUJFWSA-N 1 2 330.453 3.718 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000886811200 1138146907 /nfs/dbraw/zinc/14/69/07/1138146907.db2.gz NLDFUABSADOMNJ-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000886811200 1138146908 /nfs/dbraw/zinc/14/69/08/1138146908.db2.gz NLDFUABSADOMNJ-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(C)o1 ZINC000080237690 1138161614 /nfs/dbraw/zinc/16/16/14/1138161614.db2.gz UFNHUTBLRUIWLD-AWEZNQCLSA-N 1 2 342.208 3.967 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000091856971 1138222856 /nfs/dbraw/zinc/22/28/56/1138222856.db2.gz QTPPRJVLTWOHKW-DZGCQCFKSA-N 1 2 348.295 3.708 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000091856971 1138222858 /nfs/dbraw/zinc/22/28/58/1138222858.db2.gz QTPPRJVLTWOHKW-DZGCQCFKSA-N 1 2 348.295 3.708 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000093226935 1138235215 /nfs/dbraw/zinc/23/52/15/1138235215.db2.gz BDFLTTPBRNEPQO-YWZLYKJASA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000093226935 1138235216 /nfs/dbraw/zinc/23/52/16/1138235216.db2.gz BDFLTTPBRNEPQO-YWZLYKJASA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000093226936 1138235346 /nfs/dbraw/zinc/23/53/46/1138235346.db2.gz BDFLTTPBRNEPQO-MGPUTAFESA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000093226936 1138235349 /nfs/dbraw/zinc/23/53/49/1138235349.db2.gz BDFLTTPBRNEPQO-MGPUTAFESA-N 1 2 343.446 3.727 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000093311060 1138235711 /nfs/dbraw/zinc/23/57/11/1138235711.db2.gz TYHZCEVMFKBROM-LJQANCHMSA-N 1 2 349.478 3.705 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000093311060 1138235713 /nfs/dbraw/zinc/23/57/13/1138235713.db2.gz TYHZCEVMFKBROM-LJQANCHMSA-N 1 2 349.478 3.705 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)cs1 ZINC000093304548 1138235729 /nfs/dbraw/zinc/23/57/29/1138235729.db2.gz VWNDGTROELAYKX-HUUCEWRRSA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)cs1 ZINC000093304548 1138235731 /nfs/dbraw/zinc/23/57/31/1138235731.db2.gz VWNDGTROELAYKX-HUUCEWRRSA-N 1 2 334.485 3.624 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)CO1 ZINC000093660659 1138239553 /nfs/dbraw/zinc/23/95/53/1138239553.db2.gz XYKRSAVSUBPCIW-PXNSSMCTSA-N 1 2 337.467 3.644 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)CO1 ZINC000093660659 1138239554 /nfs/dbraw/zinc/23/95/54/1138239554.db2.gz XYKRSAVSUBPCIW-PXNSSMCTSA-N 1 2 337.467 3.644 20 0 EHADLO Cc1n[nH]cc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000093763903 1138240945 /nfs/dbraw/zinc/24/09/45/1138240945.db2.gz WWGDTZAAPJJKEQ-UHFFFAOYSA-N 1 2 326.263 3.707 20 0 EHADLO Cc1n[nH]cc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000093763903 1138240947 /nfs/dbraw/zinc/24/09/47/1138240947.db2.gz WWGDTZAAPJJKEQ-UHFFFAOYSA-N 1 2 326.263 3.707 20 0 EHADLO Cc1ccc2[nH+]cc(CN(C)Cc3nc(C(F)(F)F)cs3)n2c1 ZINC000093814806 1138241854 /nfs/dbraw/zinc/24/18/54/1138241854.db2.gz YQUPBKFFKPLAKM-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC2(CCC2)C1 ZINC000123373056 1138269797 /nfs/dbraw/zinc/26/97/97/1138269797.db2.gz PYUDTTZTNMSEAO-QMMMGPOBSA-N 1 2 348.315 3.585 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC2(CCC2)C1 ZINC000123373056 1138269800 /nfs/dbraw/zinc/26/98/00/1138269800.db2.gz PYUDTTZTNMSEAO-QMMMGPOBSA-N 1 2 348.315 3.585 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000123534399 1138271095 /nfs/dbraw/zinc/27/10/95/1138271095.db2.gz MBQLOORRJDSWPA-UHFFFAOYSA-N 1 2 344.312 3.595 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123572013 1138271571 /nfs/dbraw/zinc/27/15/71/1138271571.db2.gz CUFXUGUVYGTPJJ-AEFFLSMTSA-N 1 2 325.456 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000124751667 1138294117 /nfs/dbraw/zinc/29/41/17/1138294117.db2.gz UDWUQGRKOJUHLU-OXQOHEQNSA-N 1 2 333.435 3.689 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125006917 1138299436 /nfs/dbraw/zinc/29/94/36/1138299436.db2.gz KHWFSVVDSMEGNG-NHYWBVRUSA-N 1 2 338.238 3.913 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccn1 ZINC000125304784 1138305055 /nfs/dbraw/zinc/30/50/55/1138305055.db2.gz KRZDCBRSNLZVMT-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccn1 ZINC000125304784 1138305059 /nfs/dbraw/zinc/30/50/59/1138305059.db2.gz KRZDCBRSNLZVMT-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1OC(F)F ZINC000126100743 1138323813 /nfs/dbraw/zinc/32/38/13/1138323813.db2.gz NIGZHYMPHFXWNX-ZBFHGGJFSA-N 1 2 334.366 3.555 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000263775267 1138362627 /nfs/dbraw/zinc/36/26/27/1138362627.db2.gz YKRHJGZLHJQGHQ-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127755036 1138369682 /nfs/dbraw/zinc/36/96/82/1138369682.db2.gz IVRHBQOPTQFEPA-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127755036 1138369685 /nfs/dbraw/zinc/36/96/85/1138369685.db2.gz IVRHBQOPTQFEPA-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO Cc1ccc(F)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000263836514 1138377604 /nfs/dbraw/zinc/37/76/04/1138377604.db2.gz BFTOSXBQHSDFTK-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000128565111 1138393263 /nfs/dbraw/zinc/39/32/63/1138393263.db2.gz XBLAPHAUDKEBPO-ABAIWWIYSA-N 1 2 336.798 3.791 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263966161 1138399273 /nfs/dbraw/zinc/39/92/73/1138399273.db2.gz UFXIBSBHNJWALV-SFHVURJKSA-N 1 2 340.471 3.710 20 0 EHADLO Cc1cc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000336884409 1138421056 /nfs/dbraw/zinc/42/10/56/1138421056.db2.gz DSWRCSNPALJCCB-INIZCTEOSA-N 1 2 340.471 3.564 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2(C)CCCC2)C[C@@H](C)O1 ZINC000264129330 1138425058 /nfs/dbraw/zinc/42/50/58/1138425058.db2.gz YFYKQKQQRKGPDG-HZPDHXFCSA-N 1 2 345.487 3.750 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2(C)CCCC2)C[C@H](C)O1 ZINC000264129326 1138425081 /nfs/dbraw/zinc/42/50/81/1138425081.db2.gz YFYKQKQQRKGPDG-HOTGVXAUSA-N 1 2 345.487 3.750 20 0 EHADLO CCCn1nccc1C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000336939857 1138431663 /nfs/dbraw/zinc/43/16/63/1138431663.db2.gz XLMRMNODVRJSRA-UHFFFAOYSA-N 1 2 327.476 3.899 20 0 EHADLO C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000264235814 1138450930 /nfs/dbraw/zinc/45/09/30/1138450930.db2.gz MDBKIKMTELDQHH-BVIKNXMNSA-N 1 2 345.487 3.606 20 0 EHADLO CC[N@H+](Cc1ncnn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000337123238 1138471427 /nfs/dbraw/zinc/47/14/27/1138471427.db2.gz CADGVPNKKGFYEO-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1ncnn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000337123238 1138471430 /nfs/dbraw/zinc/47/14/30/1138471430.db2.gz CADGVPNKKGFYEO-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccccc2c1 ZINC000337123719 1138471532 /nfs/dbraw/zinc/47/15/32/1138471532.db2.gz CAFBRWNWZDJCHN-UHFFFAOYSA-N 1 2 349.434 3.704 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccccc2c1 ZINC000337123719 1138471534 /nfs/dbraw/zinc/47/15/34/1138471534.db2.gz CAFBRWNWZDJCHN-UHFFFAOYSA-N 1 2 349.434 3.704 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337142987 1138478390 /nfs/dbraw/zinc/47/83/90/1138478390.db2.gz XUEFOKFKPGUTHM-IXDOHACOSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nnc(C(C)C)o4)C3)[nH]c2c1 ZINC000130831882 1138479632 /nfs/dbraw/zinc/47/96/32/1138479632.db2.gz VUKYDDWTSAQUFN-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nnc(C(C)C)o4)C3)[nH]c2c1 ZINC000130831882 1138479633 /nfs/dbraw/zinc/47/96/33/1138479633.db2.gz VUKYDDWTSAQUFN-CQSZACIVSA-N 1 2 339.443 3.757 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C12CCC(CC1)C2 ZINC000337147818 1138479671 /nfs/dbraw/zinc/47/96/71/1138479671.db2.gz IZMUFTNNLOVRJH-LFDOHDQPSA-N 1 2 327.472 3.506 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337152989 1138480871 /nfs/dbraw/zinc/48/08/71/1138480871.db2.gz MZGAVYMNJJWZHC-HZPDHXFCSA-N 1 2 349.544 3.847 20 0 EHADLO CCS[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000337165044 1138483681 /nfs/dbraw/zinc/48/36/81/1138483681.db2.gz XHPMRBSPPOBJSD-NVXWUHKLSA-N 1 2 349.544 3.703 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000337173070 1138485543 /nfs/dbraw/zinc/48/55/43/1138485543.db2.gz FZQMAILPTXHQMM-GFCCVEGCSA-N 1 2 330.794 3.911 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)cc1F ZINC000337181273 1138487807 /nfs/dbraw/zinc/48/78/07/1138487807.db2.gz MKQWDUYSKVLMCE-QGZVFWFLSA-N 1 2 328.366 3.786 20 0 EHADLO C[C@H]1CCC[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000337213559 1138496783 /nfs/dbraw/zinc/49/67/83/1138496783.db2.gz CUJJVFUHCCUMBF-KBPBESRZSA-N 1 2 336.505 3.687 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264488352 1138533602 /nfs/dbraw/zinc/53/36/02/1138533602.db2.gz BUHADDZKQOJGRE-FUHWJXTLSA-N 1 2 340.471 3.547 20 0 EHADLO c1cc2ncnc(NCc3cc[nH+]c(N4CCCCCC4)c3)c2s1 ZINC000337332629 1138536414 /nfs/dbraw/zinc/53/64/14/1138536414.db2.gz XLBKPXHQUMPPOL-UHFFFAOYSA-N 1 2 339.468 3.501 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(Cl)c1 ZINC000337338747 1138538290 /nfs/dbraw/zinc/53/82/90/1138538290.db2.gz FZUMBOFIAKOEKP-UHFFFAOYSA-N 1 2 329.831 3.655 20 0 EHADLO COc1ccc(C[N@@H+](Cc2csc(C)n2)CC2CC2)c(OC)c1 ZINC000337444282 1138571272 /nfs/dbraw/zinc/57/12/72/1138571272.db2.gz KXOXURTXZNGYPT-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO COc1ccc(C[N@H+](Cc2csc(C)n2)CC2CC2)c(OC)c1 ZINC000337444282 1138571273 /nfs/dbraw/zinc/57/12/73/1138571273.db2.gz KXOXURTXZNGYPT-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO Cc1[nH]c2ccc(-n3cc(N)c4cc(Br)cnc43)cc2[nH+]1 ZINC001213071330 1138581709 /nfs/dbraw/zinc/58/17/09/1138581709.db2.gz MBLPEUDCZZLRLV-UHFFFAOYSA-N 1 2 342.200 3.555 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000337531160 1138597092 /nfs/dbraw/zinc/59/70/92/1138597092.db2.gz DGHWZDVBSJIARU-YESZJQIVSA-N 1 2 330.476 3.542 20 0 EHADLO CCOCc1ccccc1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000264681570 1138602340 /nfs/dbraw/zinc/60/23/40/1138602340.db2.gz XBKSKTOTLZHMJZ-UHFFFAOYSA-N 1 2 338.411 3.501 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(C)n1C(C)C ZINC000337574988 1138610256 /nfs/dbraw/zinc/61/02/56/1138610256.db2.gz FPKQREKESDXEEX-LJQANCHMSA-N 1 2 343.446 3.612 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337669810 1138639559 /nfs/dbraw/zinc/63/95/59/1138639559.db2.gz VNQGNIPUROKRSG-KPFFTGBYSA-N 1 2 349.478 3.544 20 0 EHADLO CSc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000264826214 1138650136 /nfs/dbraw/zinc/65/01/36/1138650136.db2.gz HGNFPONUBFIATO-ZDUSSCGKSA-N 1 2 346.452 3.647 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000264825076 1138650315 /nfs/dbraw/zinc/65/03/15/1138650315.db2.gz VWCIEQQSSBRCMJ-GOSISDBHSA-N 1 2 325.412 3.841 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@@H](OCCOC)C3)cc[nH+]c12 ZINC000337950628 1138706095 /nfs/dbraw/zinc/70/60/95/1138706095.db2.gz ZUKVMDPAMSPEHX-MRXNPFEDSA-N 1 2 344.455 3.655 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809678 1138706762 /nfs/dbraw/zinc/70/67/62/1138706762.db2.gz NLPVOZOZXFQEEW-CABCVRRESA-N 1 2 339.361 3.505 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000134809678 1138706765 /nfs/dbraw/zinc/70/67/65/1138706765.db2.gz NLPVOZOZXFQEEW-CABCVRRESA-N 1 2 339.361 3.505 20 0 EHADLO Cc1ccc(Cc2cnc(NC(=O)CCn3cc[nH+]c3)s2)cc1C ZINC000337999320 1138719997 /nfs/dbraw/zinc/71/99/97/1138719997.db2.gz CXGPBFXLHFLFNT-UHFFFAOYSA-N 1 2 340.452 3.576 20 0 EHADLO CCOc1ccc([C@H](NC(=O)CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000338033073 1138728650 /nfs/dbraw/zinc/72/86/50/1138728650.db2.gz WCTGIDBHUOMUTK-OAQYLSRUSA-N 1 2 349.434 3.578 20 0 EHADLO CC[N@H+](Cc1csc(C2CC2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000135369872 1138746943 /nfs/dbraw/zinc/74/69/43/1138746943.db2.gz WMMYKNMDTIRXAK-UHFFFAOYSA-N 1 2 343.496 3.744 20 0 EHADLO CC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000135369872 1138746947 /nfs/dbraw/zinc/74/69/47/1138746947.db2.gz WMMYKNMDTIRXAK-UHFFFAOYSA-N 1 2 343.496 3.744 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1cc2ccccc2s1 ZINC000338266599 1138806730 /nfs/dbraw/zinc/80/67/30/1138806730.db2.gz KWOATZHXVYMBHK-UHFFFAOYSA-N 1 2 340.452 3.598 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)nn1 ZINC000338265344 1138806925 /nfs/dbraw/zinc/80/69/25/1138806925.db2.gz IKMMWUPZJUZQMO-QGZVFWFLSA-N 1 2 343.477 3.756 20 0 EHADLO COc1ccc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)nn1 ZINC000338265344 1138806931 /nfs/dbraw/zinc/80/69/31/1138806931.db2.gz IKMMWUPZJUZQMO-QGZVFWFLSA-N 1 2 343.477 3.756 20 0 EHADLO CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)Cc1ccccc1 ZINC000265329956 1138814136 /nfs/dbraw/zinc/81/41/36/1138814136.db2.gz GBSHIKCSIXCDAI-KRWDZBQOSA-N 1 2 340.471 3.568 20 0 EHADLO C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000151888610 1139062811 /nfs/dbraw/zinc/06/28/11/1139062811.db2.gz MVZNZFLOXCOYGV-SNRMKQJTSA-N 1 2 338.455 3.627 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000153130275 1139123588 /nfs/dbraw/zinc/12/35/88/1139123588.db2.gz RJJXPFLRKZHSTR-XHDPSFHLSA-N 1 2 336.798 3.791 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1CCC(F)(F)F)[NH+]1CCSCC1 ZINC000153605376 1139143416 /nfs/dbraw/zinc/14/34/16/1139143416.db2.gz FYPCEYKNNDTUFZ-LBPRGKRZSA-N 1 2 346.418 3.557 20 0 EHADLO C[C@H](CNC(=O)C1(Sc2ccccc2)CCCC1)Cn1cc[nH+]c1 ZINC000153759114 1139150870 /nfs/dbraw/zinc/15/08/70/1139150870.db2.gz KXRBETBFOJQAQF-MRXNPFEDSA-N 1 2 343.496 3.741 20 0 EHADLO CCN(c1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1)C(C)C ZINC000826618399 1139189677 /nfs/dbraw/zinc/18/96/77/1139189677.db2.gz KCHFUMBLLBPLFF-SFHVURJKSA-N 1 2 347.409 3.838 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC(CCF)CC1 ZINC000889541212 1139228322 /nfs/dbraw/zinc/22/83/22/1139228322.db2.gz BHNVFVFDNOWNGU-QAQDUYKDSA-N 1 2 348.466 3.586 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137260339 1139303317 /nfs/dbraw/zinc/30/33/17/1139303317.db2.gz NYEVLVBZSRAOFK-AWEZNQCLSA-N 1 2 341.835 3.875 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137260339 1139303325 /nfs/dbraw/zinc/30/33/25/1139303325.db2.gz NYEVLVBZSRAOFK-AWEZNQCLSA-N 1 2 341.835 3.875 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCC1CCC(F)(F)CC1)n1cc[nH+]c1 ZINC000890056523 1139307869 /nfs/dbraw/zinc/30/78/69/1139307869.db2.gz AEENZMQWTWWQTP-HNNXBMFYSA-N 1 2 327.419 3.802 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)[nH+]c1C ZINC001137261051 1139310596 /nfs/dbraw/zinc/31/05/96/1139310596.db2.gz XAARBTQEZNPFSK-UHFFFAOYSA-N 1 2 346.390 3.765 20 0 EHADLO CC1CCC(N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890265496 1139335628 /nfs/dbraw/zinc/33/56/28/1139335628.db2.gz AWUHGKWSGGIUGA-KVZIAJEVSA-N 1 2 340.471 3.845 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000826696350 1139363339 /nfs/dbraw/zinc/36/33/39/1139363339.db2.gz NSLGEPHYZCYFGR-UHYCVJNDSA-N 1 2 338.426 3.622 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000826696350 1139363346 /nfs/dbraw/zinc/36/33/46/1139363346.db2.gz NSLGEPHYZCYFGR-UHYCVJNDSA-N 1 2 338.426 3.622 20 0 EHADLO Cc1ccc(C(C)(C)C[N@H+](C)Cc2noc(C3CCOCC3)n2)cc1 ZINC000173964912 1139389251 /nfs/dbraw/zinc/38/92/51/1139389251.db2.gz TWBVXPSIPGYLAS-UHFFFAOYSA-N 1 2 343.471 3.682 20 0 EHADLO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2noc(C3CCOCC3)n2)cc1 ZINC000173964912 1139389259 /nfs/dbraw/zinc/38/92/59/1139389259.db2.gz TWBVXPSIPGYLAS-UHFFFAOYSA-N 1 2 343.471 3.682 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448968 1139421431 /nfs/dbraw/zinc/42/14/31/1139421431.db2.gz VBWOBXKORXMVBZ-LRDDRELGSA-N 1 2 344.459 3.594 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448968 1139421435 /nfs/dbraw/zinc/42/14/35/1139421435.db2.gz VBWOBXKORXMVBZ-LRDDRELGSA-N 1 2 344.459 3.594 20 0 EHADLO CCO[C@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)C1(CC)CC ZINC000777290269 1139472546 /nfs/dbraw/zinc/47/25/46/1139472546.db2.gz MNSVZHBKEHQAEF-HOTGVXAUSA-N 1 2 338.517 3.703 20 0 EHADLO Cc1cccc2nc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000175397872 1139488174 /nfs/dbraw/zinc/48/81/74/1139488174.db2.gz QWYRNUPWONFUBM-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccc2nc(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000175397872 1139488179 /nfs/dbraw/zinc/48/81/79/1139488179.db2.gz QWYRNUPWONFUBM-MYYSRTQBSA-N 1 2 341.480 3.573 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(Cl)s1 ZINC000175725052 1139513479 /nfs/dbraw/zinc/51/34/79/1139513479.db2.gz RDTLSNQLFRYZDI-MRVPVSSYSA-N 1 2 341.889 3.588 20 0 EHADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(Cl)s1 ZINC000175725052 1139513482 /nfs/dbraw/zinc/51/34/82/1139513482.db2.gz RDTLSNQLFRYZDI-MRVPVSSYSA-N 1 2 341.889 3.588 20 0 EHADLO Cc1cscc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000176125648 1139541170 /nfs/dbraw/zinc/54/11/70/1139541170.db2.gz OUWVQGUPFKXQSF-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1cscc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000176125648 1139541172 /nfs/dbraw/zinc/54/11/72/1139541172.db2.gz OUWVQGUPFKXQSF-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H](C)C[C@@H]2CCOC2)c2ccc(Cl)cc2)no1 ZINC000777304252 1139543907 /nfs/dbraw/zinc/54/39/07/1139543907.db2.gz PGFHNCZFFFIPTM-DETPVDSQSA-N 1 2 335.835 3.526 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCCCCC2)CC1 ZINC000176582592 1139566174 /nfs/dbraw/zinc/56/61/74/1139566174.db2.gz JHLOELNQRADTIS-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000177628443 1139629710 /nfs/dbraw/zinc/62/97/10/1139629710.db2.gz GGFOPMZJTMVDAM-AWEZNQCLSA-N 1 2 331.847 3.608 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000177628443 1139629713 /nfs/dbraw/zinc/62/97/13/1139629713.db2.gz GGFOPMZJTMVDAM-AWEZNQCLSA-N 1 2 331.847 3.608 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccccc1)CC1CCC1 ZINC000177768895 1139639690 /nfs/dbraw/zinc/63/96/90/1139639690.db2.gz BBGMJVSBOUPXLA-UHFFFAOYSA-N 1 2 348.450 3.846 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177763607 1139639912 /nfs/dbraw/zinc/63/99/12/1139639912.db2.gz QVJVLRCHRRJFMI-SFHVURJKSA-N 1 2 334.423 3.689 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccco1)C1CCCC1 ZINC000177775548 1139640411 /nfs/dbraw/zinc/64/04/11/1139640411.db2.gz GLFIPVOXEGBQRE-UHFFFAOYSA-N 1 2 338.411 3.582 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177875033 1139649267 /nfs/dbraw/zinc/64/92/67/1139649267.db2.gz TYSRVLIJPFOSHX-UTUOFQBUSA-N 1 2 325.250 3.506 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177875033 1139649262 /nfs/dbraw/zinc/64/92/62/1139649262.db2.gz TYSRVLIJPFOSHX-UTUOFQBUSA-N 1 2 325.250 3.506 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1OC ZINC000178726792 1139714295 /nfs/dbraw/zinc/71/42/95/1139714295.db2.gz BEWYFTSRBFWGKN-CYBMUJFWSA-N 1 2 343.402 3.650 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000179161372 1139739373 /nfs/dbraw/zinc/73/93/73/1139739373.db2.gz GPGGTKSDGFTAKI-CQSZACIVSA-N 1 2 349.504 3.564 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179507673 1139761891 /nfs/dbraw/zinc/76/18/91/1139761891.db2.gz OXYASABJEQQNGN-CYBMUJFWSA-N 1 2 345.516 3.816 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179507673 1139761895 /nfs/dbraw/zinc/76/18/95/1139761895.db2.gz OXYASABJEQQNGN-CYBMUJFWSA-N 1 2 345.516 3.816 20 0 EHADLO COc1cc(F)cc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179596347 1139767493 /nfs/dbraw/zinc/76/74/93/1139767493.db2.gz RPOMYKNSTMHGJC-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO c1csc(Cc2nnc(SCCCn3cc[nH+]c3)n2C2CC2)c1 ZINC000180432996 1139833988 /nfs/dbraw/zinc/83/39/88/1139833988.db2.gz CLYMAJDKGHVOHZ-UHFFFAOYSA-N 1 2 345.497 3.644 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)n1 ZINC000181458056 1139907445 /nfs/dbraw/zinc/90/74/45/1139907445.db2.gz FTSHWZWOQQZFQQ-GFCCVEGCSA-N 1 2 335.835 3.990 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1cnc2c(c1)c(C)nn2C ZINC000181480373 1139908929 /nfs/dbraw/zinc/90/89/29/1139908929.db2.gz UHTFQFUIRLJDOW-UHFFFAOYSA-N 1 2 334.427 3.649 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC000181812796 1139933097 /nfs/dbraw/zinc/93/30/97/1139933097.db2.gz KYMJUXYYQHTEQD-LBPRGKRZSA-N 1 2 342.365 3.501 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181878370 1139938466 /nfs/dbraw/zinc/93/84/66/1139938466.db2.gz WWLOHNFNZVSGTJ-OAHLLOKOSA-N 1 2 328.460 3.719 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(-c3cccs3)on2)cc1 ZINC000182381959 1139968795 /nfs/dbraw/zinc/96/87/95/1139968795.db2.gz WWDKQGDHPFGKLL-MRXNPFEDSA-N 1 2 344.436 3.625 20 0 EHADLO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182491362 1139975979 /nfs/dbraw/zinc/97/59/79/1139975979.db2.gz GHYJTDYWSRYJIO-HNNXBMFYSA-N 1 2 344.484 3.801 20 0 EHADLO CC(C)[C@@H]1CCCC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182491362 1139975982 /nfs/dbraw/zinc/97/59/82/1139975982.db2.gz GHYJTDYWSRYJIO-HNNXBMFYSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182986007 1140006096 /nfs/dbraw/zinc/00/60/96/1140006096.db2.gz FVUCOUBQALZMDH-AWEZNQCLSA-N 1 2 341.846 3.568 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182986007 1140006102 /nfs/dbraw/zinc/00/61/02/1140006102.db2.gz FVUCOUBQALZMDH-AWEZNQCLSA-N 1 2 341.846 3.568 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1nccn1C ZINC000183058875 1140010564 /nfs/dbraw/zinc/01/05/64/1140010564.db2.gz RNLWREIKLUYDPS-GFCCVEGCSA-N 1 2 329.778 3.916 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1OCC ZINC000183092569 1140012835 /nfs/dbraw/zinc/01/28/35/1140012835.db2.gz NYTJZHYTXJYHHK-OAHLLOKOSA-N 1 2 346.475 3.582 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184470091 1140104321 /nfs/dbraw/zinc/10/43/21/1140104321.db2.gz XJEILEQDRSNJSN-QGZVFWFLSA-N 1 2 335.455 3.781 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)c1cnccn1 ZINC000184470091 1140104326 /nfs/dbraw/zinc/10/43/26/1140104326.db2.gz XJEILEQDRSNJSN-QGZVFWFLSA-N 1 2 335.455 3.781 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000184582623 1140109682 /nfs/dbraw/zinc/10/96/82/1140109682.db2.gz CUEMMUJZKSMMDQ-GUYCJALGSA-N 1 2 331.460 3.648 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C)c1C)c1ccc(C)o1 ZINC000184634727 1140112808 /nfs/dbraw/zinc/11/28/08/1140112808.db2.gz OWZZTQYMIBLXAT-WBVHZDCISA-N 1 2 330.428 3.509 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1)c1ccc(C)o1 ZINC000184634806 1140113025 /nfs/dbraw/zinc/11/30/25/1140113025.db2.gz FUUGFRWMMZRNLG-WBVHZDCISA-N 1 2 330.428 3.509 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)ccc1C)c1ccc(C)o1 ZINC000184711581 1140116937 /nfs/dbraw/zinc/11/69/37/1140116937.db2.gz MLEDYINGKVMAFX-RDJZCZTQSA-N 1 2 330.428 3.509 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cs1 ZINC000184726780 1140117580 /nfs/dbraw/zinc/11/75/80/1140117580.db2.gz YBRTWFCVQSCNSI-JSGCOSHPSA-N 1 2 347.459 3.862 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC1CCCCC1 ZINC000184854990 1140122860 /nfs/dbraw/zinc/12/28/60/1140122860.db2.gz QJSPKZYWRMKENL-HUUCEWRRSA-N 1 2 341.455 3.830 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984150 1140129272 /nfs/dbraw/zinc/12/92/72/1140129272.db2.gz KMOSODGVZYYXSG-NSHDSACASA-N 1 2 332.354 3.546 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984150 1140129274 /nfs/dbraw/zinc/12/92/74/1140129274.db2.gz KMOSODGVZYYXSG-NSHDSACASA-N 1 2 332.354 3.546 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)s1 ZINC000185025473 1140131688 /nfs/dbraw/zinc/13/16/88/1140131688.db2.gz FIHJVWSLUNMNIV-LSDHHAIUSA-N 1 2 331.485 3.596 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)s1 ZINC000185025455 1140132046 /nfs/dbraw/zinc/13/20/46/1140132046.db2.gz FIHJVWSLUNMNIV-HUUCEWRRSA-N 1 2 331.485 3.596 20 0 EHADLO CC(=O)c1c(F)cccc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185486431 1140152928 /nfs/dbraw/zinc/15/29/28/1140152928.db2.gz GSOWHIRHWBTMHV-ZDUSSCGKSA-N 1 2 332.444 3.973 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(C)s1 ZINC000186427710 1140203311 /nfs/dbraw/zinc/20/33/11/1140203311.db2.gz DHSWBTQCVZEDBB-ZDUSSCGKSA-N 1 2 342.468 3.913 20 0 EHADLO Cc1nc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)sc1C ZINC000186482173 1140206788 /nfs/dbraw/zinc/20/67/88/1140206788.db2.gz HYPYJJNMENAEEL-UHFFFAOYSA-N 1 2 338.423 3.522 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186811312 1140222722 /nfs/dbraw/zinc/22/27/22/1140222722.db2.gz WLUREKIJMLQWFP-CYBMUJFWSA-N 1 2 345.443 3.799 20 0 EHADLO C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188639295 1140303210 /nfs/dbraw/zinc/30/32/10/1140303210.db2.gz PHKBYVONTQGUAK-HNNXBMFYSA-N 1 2 335.407 3.823 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000189050519 1140318936 /nfs/dbraw/zinc/31/89/36/1140318936.db2.gz YJJMJPUCZVEPSP-SNVBAGLBSA-N 1 2 326.227 3.537 20 0 EHADLO CO[C@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CC[C@@H]1C ZINC000189318701 1140335731 /nfs/dbraw/zinc/33/57/31/1140335731.db2.gz SOZCCSIIBOTWPC-YOEHRIQHSA-N 1 2 332.469 3.579 20 0 EHADLO CO[C@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CC[C@@H]1C ZINC000189318701 1140335739 /nfs/dbraw/zinc/33/57/39/1140335739.db2.gz SOZCCSIIBOTWPC-YOEHRIQHSA-N 1 2 332.469 3.579 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000189401571 1140341773 /nfs/dbraw/zinc/34/17/73/1140341773.db2.gz YOVWDFPDKJQBCL-KRWDZBQOSA-N 1 2 337.826 3.659 20 0 EHADLO COc1ccc([C@H](C)C[N@@H+]2CCOC[C@@H]2c2nc(C)cs2)cc1 ZINC000190406716 1140402853 /nfs/dbraw/zinc/40/28/53/1140402853.db2.gz PPDWXRKDSVWYEN-CXAGYDPISA-N 1 2 332.469 3.637 20 0 EHADLO COc1ccc([C@H](C)C[N@H+]2CCOC[C@@H]2c2nc(C)cs2)cc1 ZINC000190406716 1140402854 /nfs/dbraw/zinc/40/28/54/1140402854.db2.gz PPDWXRKDSVWYEN-CXAGYDPISA-N 1 2 332.469 3.637 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC)cc1 ZINC000190434331 1140403778 /nfs/dbraw/zinc/40/37/78/1140403778.db2.gz HDSWFAPFPTYCND-UHFFFAOYSA-N 1 2 328.460 3.952 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1Br ZINC000191539017 1140471014 /nfs/dbraw/zinc/47/10/14/1140471014.db2.gz QFSQMGINGGCEFX-OAHLLOKOSA-N 1 2 334.261 3.732 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191631645 1140476732 /nfs/dbraw/zinc/47/67/32/1140476732.db2.gz QEWWJUJGGXLTTB-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000191892523 1140492257 /nfs/dbraw/zinc/49/22/57/1140492257.db2.gz NHQYRNPTQVUWKO-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192082844 1140501636 /nfs/dbraw/zinc/50/16/36/1140501636.db2.gz NSMAKBUGKBIBRS-DYQSUWPFSA-N 1 2 339.798 3.605 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(Cl)cc1F ZINC000192172880 1140508304 /nfs/dbraw/zinc/50/83/04/1140508304.db2.gz UKYDUNXJKVOURN-BONVTDFDSA-N 1 2 337.830 3.848 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000192781784 1140550661 /nfs/dbraw/zinc/55/06/61/1140550661.db2.gz TUVHZEMDCIGKRW-CYBMUJFWSA-N 1 2 342.365 3.785 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(Cl)c2ccccc21 ZINC000192802788 1140552125 /nfs/dbraw/zinc/55/21/25/1140552125.db2.gz WHQBBSQXQQTACX-LLVKDONJSA-N 1 2 330.819 3.793 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266301158 1140665595 /nfs/dbraw/zinc/66/55/95/1140665595.db2.gz RARIXYUKUSBTJF-HOCLYGCPSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266318144 1140667141 /nfs/dbraw/zinc/66/71/41/1140667141.db2.gz VVFYCZQDDYSSDU-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000266724085 1140719085 /nfs/dbraw/zinc/71/90/85/1140719085.db2.gz KEZIBYWWXHULHW-LSDHHAIUSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000266724085 1140719089 /nfs/dbraw/zinc/71/90/89/1140719089.db2.gz KEZIBYWWXHULHW-LSDHHAIUSA-N 1 2 347.434 3.932 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1cccc(F)c1 ZINC000266790829 1140723983 /nfs/dbraw/zinc/72/39/83/1140723983.db2.gz BCKMYOZEQDHVEV-AWEZNQCLSA-N 1 2 329.419 3.524 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266935904 1140740309 /nfs/dbraw/zinc/74/03/09/1140740309.db2.gz AOJAYZXDYGCPCA-UHFFFAOYSA-N 1 2 338.333 3.840 20 0 EHADLO CCOC[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000267035537 1140752545 /nfs/dbraw/zinc/75/25/45/1140752545.db2.gz BRTRSAWARRAGHC-LBPRGKRZSA-N 1 2 335.245 3.860 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267157958 1140763151 /nfs/dbraw/zinc/76/31/51/1140763151.db2.gz PMZVZWTUUAHVLL-DZGCQCFKSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000267458440 1140793921 /nfs/dbraw/zinc/79/39/21/1140793921.db2.gz SHDVIBMJKIENFN-GFCCVEGCSA-N 1 2 337.407 3.521 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000267458440 1140793927 /nfs/dbraw/zinc/79/39/27/1140793927.db2.gz SHDVIBMJKIENFN-GFCCVEGCSA-N 1 2 337.407 3.521 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267491423 1140798262 /nfs/dbraw/zinc/79/82/62/1140798262.db2.gz VYHJFKVOAFHMCP-UHFFFAOYSA-N 1 2 330.457 3.933 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000267570929 1140805936 /nfs/dbraw/zinc/80/59/36/1140805936.db2.gz JBLNZVVLYBCPQJ-UHFFFAOYSA-N 1 2 340.814 3.727 20 0 EHADLO Cn1c[nH+]cc1CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000267596903 1140807506 /nfs/dbraw/zinc/80/75/06/1140807506.db2.gz KTLOGNAAMPBYIQ-UHFFFAOYSA-N 1 2 342.443 3.572 20 0 EHADLO CCc1ccc(-c2nc(C[S@@](=O)Cc3c[nH+]cn3C)cs2)cc1 ZINC000268131450 1140887415 /nfs/dbraw/zinc/88/74/15/1140887415.db2.gz FPUZCGMULOMMOE-HSZRJFAPSA-N 1 2 345.493 3.555 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722671 1140977378 /nfs/dbraw/zinc/97/73/78/1140977378.db2.gz WAQABCFJTOSLHQ-IRLDBZIGSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722671 1140977381 /nfs/dbraw/zinc/97/73/81/1140977381.db2.gz WAQABCFJTOSLHQ-IRLDBZIGSA-N 1 2 348.446 3.559 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nncn2CC)c(OCCC)c1 ZINC000268780989 1140990632 /nfs/dbraw/zinc/99/06/32/1140990632.db2.gz PTGCOQQRLMKCGL-OAHLLOKOSA-N 1 2 346.475 3.726 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000269942533 1141160848 /nfs/dbraw/zinc/16/08/48/1141160848.db2.gz SBASVRGWOYFPCM-UHFFFAOYSA-N 1 2 345.512 3.860 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)cs1 ZINC000270026331 1141169465 /nfs/dbraw/zinc/16/94/65/1141169465.db2.gz AMZZFABDFLDPHT-CYBMUJFWSA-N 1 2 336.505 3.709 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc([C@H]3CCCO3)s2)o1 ZINC000270051233 1141172683 /nfs/dbraw/zinc/17/26/83/1141172683.db2.gz FAKHAPQPRBYXIJ-GOEBONIOSA-N 1 2 336.457 3.627 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000271165035 1141316339 /nfs/dbraw/zinc/31/63/39/1141316339.db2.gz BLZJPHPPCGWCSD-DEOSSOPVSA-N 1 2 347.528 3.624 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000271165035 1141316345 /nfs/dbraw/zinc/31/63/45/1141316345.db2.gz BLZJPHPPCGWCSD-DEOSSOPVSA-N 1 2 347.528 3.624 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000271205313 1141324506 /nfs/dbraw/zinc/32/45/06/1141324506.db2.gz ZKKNXIHLGCKBCP-LJQANCHMSA-N 1 2 348.450 3.828 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000271205313 1141324513 /nfs/dbraw/zinc/32/45/13/1141324513.db2.gz ZKKNXIHLGCKBCP-LJQANCHMSA-N 1 2 348.450 3.828 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317883 1141344615 /nfs/dbraw/zinc/34/46/15/1141344615.db2.gz JFTBOMDCMWCQKY-GJYPPUQNSA-N 1 2 346.434 3.674 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2c(C)nc3sccn23)cc1C ZINC000271585817 1141402783 /nfs/dbraw/zinc/40/27/83/1141402783.db2.gz DPMAARZCWDXKMX-GFCCVEGCSA-N 1 2 347.440 3.585 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2c(C)nc3sccn23)cc1C ZINC000271585817 1141402785 /nfs/dbraw/zinc/40/27/85/1141402785.db2.gz DPMAARZCWDXKMX-GFCCVEGCSA-N 1 2 347.440 3.585 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3nc([C@@H]4CCCCS4)no3)C2)cc1 ZINC000273947241 1141451532 /nfs/dbraw/zinc/45/15/32/1141451532.db2.gz IPVALWMDOLIRPT-HOTGVXAUSA-N 1 2 345.468 3.601 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3nc([C@@H]4CCCCS4)no3)C2)cc1 ZINC000273947241 1141451537 /nfs/dbraw/zinc/45/15/37/1141451537.db2.gz IPVALWMDOLIRPT-HOTGVXAUSA-N 1 2 345.468 3.601 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000274250702 1141490081 /nfs/dbraw/zinc/49/00/81/1141490081.db2.gz JYZHCFYFOZWAMU-OAQYLSRUSA-N 1 2 345.446 3.909 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000339142960 1141508552 /nfs/dbraw/zinc/50/85/52/1141508552.db2.gz BBUNQBUDERPNQQ-FZMZJTMJSA-N 1 2 335.498 3.986 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000339142960 1141508556 /nfs/dbraw/zinc/50/85/56/1141508556.db2.gz BBUNQBUDERPNQQ-FZMZJTMJSA-N 1 2 335.498 3.986 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Br)c1 ZINC000339165998 1141515870 /nfs/dbraw/zinc/51/58/70/1141515870.db2.gz QUFGZDSIIJZUDL-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Br)c1 ZINC000339165998 1141515875 /nfs/dbraw/zinc/51/58/75/1141515875.db2.gz QUFGZDSIIJZUDL-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283159808 1141564936 /nfs/dbraw/zinc/56/49/36/1141564936.db2.gz IMKFDYQYHNJHJP-SNRMKQJTSA-N 1 2 348.450 3.666 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348717727 1141569772 /nfs/dbraw/zinc/56/97/72/1141569772.db2.gz VAENPUQKWYPIIC-MAUKXSAKSA-N 1 2 328.460 3.841 20 0 EHADLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348717727 1141569776 /nfs/dbraw/zinc/56/97/76/1141569776.db2.gz VAENPUQKWYPIIC-MAUKXSAKSA-N 1 2 328.460 3.841 20 0 EHADLO Cc1ccccc1CCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348929097 1141610721 /nfs/dbraw/zinc/61/07/21/1141610721.db2.gz DSKKXMSXHLJSHU-UHFFFAOYSA-N 1 2 337.398 3.569 20 0 EHADLO COc1cccc(C[N@H+](Cc2cccnc2)Cc2ccccc2C)n1 ZINC000349059070 1141630963 /nfs/dbraw/zinc/63/09/63/1141630963.db2.gz BEGSIOCWIKXEGK-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1cccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)n1 ZINC000349059070 1141630966 /nfs/dbraw/zinc/63/09/66/1141630966.db2.gz BEGSIOCWIKXEGK-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1nc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cs1 ZINC000066058747 215005603 /nfs/dbraw/zinc/00/56/03/215005603.db2.gz QCEXCTDQMACRBJ-UHFFFAOYSA-N 1 2 339.449 3.873 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037500185 213150289 /nfs/dbraw/zinc/15/02/89/213150289.db2.gz QWIDJBGTHUWZQK-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO COc1cc(-c2noc(Cc3ccccc3)n2)ccc1-n1c[nH+]c(C)c1 ZINC000072113009 216011601 /nfs/dbraw/zinc/01/16/01/216011601.db2.gz AQQPIZZKPFLSMZ-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO Cc1cccn2cc(CNC(=O)/C=C\c3nc4ccccc4s3)[nH+]c12 ZINC000209973016 241075230 /nfs/dbraw/zinc/07/52/30/241075230.db2.gz UYVNQGRNIGUUTJ-HJWRWDBZSA-N 1 2 348.431 3.582 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000078687699 217102426 /nfs/dbraw/zinc/10/24/26/217102426.db2.gz JYPCNXNFIKNIBZ-LLVKDONJSA-N 1 2 345.896 3.676 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000078687699 217102429 /nfs/dbraw/zinc/10/24/29/217102429.db2.gz JYPCNXNFIKNIBZ-LLVKDONJSA-N 1 2 345.896 3.676 20 0 EHADLO CN(C)c1cc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)ccn1 ZINC000078651448 217095465 /nfs/dbraw/zinc/09/54/65/217095465.db2.gz GPXSQJDDWAHFNF-UHFFFAOYSA-N 1 2 334.379 3.587 20 0 EHADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1Cc2ccccc2O1 ZINC000078651461 217095828 /nfs/dbraw/zinc/09/58/28/217095828.db2.gz YFTJPONKOPCJHU-LJQANCHMSA-N 1 2 332.359 3.816 20 0 EHADLO Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[C@@H]3C)c2)cc[nH+]1 ZINC000536092957 478241380 /nfs/dbraw/zinc/24/13/80/478241380.db2.gz COUJOBVUMPLNRA-KBXCAEBGSA-N 1 2 338.455 3.563 20 0 EHADLO c1c(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)[nH+]c2ccccn12 ZINC000286263104 563644303 /nfs/dbraw/zinc/64/43/03/563644303.db2.gz NGDLGFAWDKTVEU-MRXNPFEDSA-N 1 2 337.427 3.712 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822758775 606099435 /nfs/dbraw/zinc/09/94/35/606099435.db2.gz YJSDHSVQNXVUCR-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822758775 606099437 /nfs/dbraw/zinc/09/94/37/606099437.db2.gz YJSDHSVQNXVUCR-MRXNPFEDSA-N 1 2 343.793 3.606 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1Cc2ccccc2[C@@H]1C ZINC000822337347 606137659 /nfs/dbraw/zinc/13/76/59/606137659.db2.gz XJQWSTWIGSISQJ-ZDUSSCGKSA-N 1 2 342.406 3.805 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)c1C ZINC000528312607 1032058575 /nfs/dbraw/zinc/05/85/75/1032058575.db2.gz VPAAJVCJAMJBCI-LSDHHAIUSA-N 1 2 330.453 3.531 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149077 1125485673 /nfs/dbraw/zinc/48/56/73/1125485673.db2.gz WVRKAZQBLPFQOO-LSDHHAIUSA-N 1 2 338.879 3.785 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149077 1125485674 /nfs/dbraw/zinc/48/56/74/1125485674.db2.gz WVRKAZQBLPFQOO-LSDHHAIUSA-N 1 2 338.879 3.785 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc3c(c2)OCCCCO3)s1 ZINC000449035848 1032079179 /nfs/dbraw/zinc/07/91/79/1032079179.db2.gz IEVLCCHMRYHBCC-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc3c(c2)OCCCCO3)s1 ZINC000449035848 1032079197 /nfs/dbraw/zinc/07/91/97/1032079197.db2.gz IEVLCCHMRYHBCC-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO C[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037018 1032081290 /nfs/dbraw/zinc/08/12/90/1032081290.db2.gz WULBLSOUFKMPBN-ORAYPTAESA-N 1 2 333.378 3.847 20 0 EHADLO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)c1cc(F)cc(F)c1 ZINC000449037018 1032081304 /nfs/dbraw/zinc/08/13/04/1032081304.db2.gz WULBLSOUFKMPBN-ORAYPTAESA-N 1 2 333.378 3.847 20 0 EHADLO Cc1csc(CCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000339266075 1014131561 /nfs/dbraw/zinc/13/15/61/1014131561.db2.gz SUYVSWFOIOTPFU-UHFFFAOYSA-N 1 2 326.425 3.599 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000654700489 1014131889 /nfs/dbraw/zinc/13/18/89/1014131889.db2.gz LYILKVQIRKWGSB-LLVKDONJSA-N 1 2 339.361 3.659 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000654700489 1014131893 /nfs/dbraw/zinc/13/18/93/1014131893.db2.gz LYILKVQIRKWGSB-LLVKDONJSA-N 1 2 339.361 3.659 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(CSC)s1)c1ccc(F)cc1 ZINC000339292486 1014171568 /nfs/dbraw/zinc/17/15/68/1014171568.db2.gz YRBDSVCIHLDELZ-CQSZACIVSA-N 1 2 326.462 3.623 20 0 EHADLO Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc(C(F)(F)F)c1 ZINC000683087002 1014254455 /nfs/dbraw/zinc/25/44/55/1014254455.db2.gz MNJHHFNBMASLQX-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC000339388605 1014320600 /nfs/dbraw/zinc/32/06/00/1014320600.db2.gz GIJLTKVHJFLYMW-GFCCVEGCSA-N 1 2 331.807 3.826 20 0 EHADLO CC(C)[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000339447320 1014501957 /nfs/dbraw/zinc/50/19/57/1014501957.db2.gz MXDNTPCYLPCAGK-SFHVURJKSA-N 1 2 325.387 3.529 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339473549 1014541208 /nfs/dbraw/zinc/54/12/08/1014541208.db2.gz LAJXWDGSMOOKAG-RDJZCZTQSA-N 1 2 343.496 3.553 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccnc1 ZINC000339481516 1014562116 /nfs/dbraw/zinc/56/21/16/1014562116.db2.gz OGFOCMJOWXSVCQ-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1(C(=O)[O-])CCC1 ZINC001595286523 980363282 /nfs/dbraw/zinc/36/32/82/980363282.db2.gz GEUPKAPXEHVNTG-WBVHZDCISA-N 1 2 332.488 3.739 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2Cc3c2cccc3Cl)c1C ZINC000528312057 1032099799 /nfs/dbraw/zinc/09/97/99/1032099799.db2.gz PMURJSYCORYZLV-HNNXBMFYSA-N 1 2 344.842 3.659 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cncc(Br)c2)c(F)c1 ZINC000339521990 1014695431 /nfs/dbraw/zinc/69/54/31/1014695431.db2.gz FNAURPCIUJHPKF-UHFFFAOYSA-N 1 2 331.135 3.551 20 0 EHADLO NC(=O)C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000339531949 1014720530 /nfs/dbraw/zinc/72/05/30/1014720530.db2.gz OVEILVYYMNBTIF-CQSZACIVSA-N 1 2 343.477 3.578 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)cc2O1 ZINC000655020879 1014820984 /nfs/dbraw/zinc/82/09/84/1014820984.db2.gz SCRRGQSKUVQEDG-LBPRGKRZSA-N 1 2 329.400 3.515 20 0 EHADLO CCC1(CC)Oc2ccc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2O1 ZINC000655020879 1014820998 /nfs/dbraw/zinc/82/09/98/1014820998.db2.gz SCRRGQSKUVQEDG-LBPRGKRZSA-N 1 2 329.400 3.515 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000650107014 1014848220 /nfs/dbraw/zinc/84/82/20/1014848220.db2.gz CENKHUKILVPDQJ-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000650107014 1014848230 /nfs/dbraw/zinc/84/82/30/1014848230.db2.gz CENKHUKILVPDQJ-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000634580395 1015007970 /nfs/dbraw/zinc/00/79/70/1015007970.db2.gz DNZJNPRPHIBQIK-KZULUSFZSA-N 1 2 346.377 3.656 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@H]3F)cs2)cc1 ZINC000339587278 1015085432 /nfs/dbraw/zinc/08/54/32/1015085432.db2.gz OYQYYPLNBJLJGN-HZPDHXFCSA-N 1 2 336.432 3.711 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538025669 1032109830 /nfs/dbraw/zinc/10/98/30/1032109830.db2.gz CMTKJFYVTNUXQP-KNXALSJPSA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538025669 1032109835 /nfs/dbraw/zinc/10/98/35/1032109835.db2.gz CMTKJFYVTNUXQP-KNXALSJPSA-N 1 2 326.843 3.777 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(Cc4ccc(Cl)cc4)no3)cn2c1 ZINC000904543861 1032110426 /nfs/dbraw/zinc/11/04/26/1032110426.db2.gz HSYTXFWPMSZJCM-UHFFFAOYSA-N 1 2 342.761 3.691 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000579851028 1015248774 /nfs/dbraw/zinc/24/87/74/1015248774.db2.gz GCOJIGHSEITADS-AWEZNQCLSA-N 1 2 331.485 3.668 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000579851028 1015248788 /nfs/dbraw/zinc/24/87/88/1015248788.db2.gz GCOJIGHSEITADS-AWEZNQCLSA-N 1 2 331.485 3.668 20 0 EHADLO CC[C@@H]1c2ccccc2CN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000890615607 1015280576 /nfs/dbraw/zinc/28/05/76/1015280576.db2.gz XZUCBNMPQUYGOP-CABCVRRESA-N 1 2 337.345 3.870 20 0 EHADLO CC(C)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045407961 1015399437 /nfs/dbraw/zinc/39/94/37/1015399437.db2.gz BHYJQYSVAGWMTM-CJNGLKHVSA-N 1 2 334.851 3.622 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000339624757 1015406241 /nfs/dbraw/zinc/40/62/41/1015406241.db2.gz OCILHULMNBCLQX-ZBFHGGJFSA-N 1 2 346.862 3.724 20 0 EHADLO CC[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047270931 1015473956 /nfs/dbraw/zinc/47/39/56/1015473956.db2.gz YBLYWAJTSOVIRE-SFHVURJKSA-N 1 2 333.435 3.855 20 0 EHADLO COc1ccc(-n2cc(C[N@H+](C)Cc3cc(Cl)cn3C)cn2)cc1 ZINC000449046322 1032118657 /nfs/dbraw/zinc/11/86/57/1032118657.db2.gz KVQLLPSVFOSLBP-UHFFFAOYSA-N 1 2 344.846 3.505 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+](C)Cc3cc(Cl)cn3C)cn2)cc1 ZINC000449046322 1032118669 /nfs/dbraw/zinc/11/86/69/1032118669.db2.gz KVQLLPSVFOSLBP-UHFFFAOYSA-N 1 2 344.846 3.505 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000535615126 1015585220 /nfs/dbraw/zinc/58/52/20/1015585220.db2.gz AYGHHYCORIKGBV-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000535615126 1015585228 /nfs/dbraw/zinc/58/52/28/1015585228.db2.gz AYGHHYCORIKGBV-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(C)noc1C ZINC000339756815 1015652881 /nfs/dbraw/zinc/65/28/81/1015652881.db2.gz OHCAEPSNYOCSHK-IUODEOHRSA-N 1 2 345.443 3.751 20 0 EHADLO Cn1nccc1C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000179805423 1015655837 /nfs/dbraw/zinc/65/58/37/1015655837.db2.gz CYLSJJIPLHKUFE-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO Cn1nccc1C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000179805423 1015655840 /nfs/dbraw/zinc/65/58/40/1015655840.db2.gz CYLSJJIPLHKUFE-UHFFFAOYSA-N 1 2 336.277 3.983 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088255348 1015764221 /nfs/dbraw/zinc/76/42/21/1015764221.db2.gz YCFVWUMIQWUMDY-FQEVSTJZSA-N 1 2 337.398 3.708 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000180806246 1016043246 /nfs/dbraw/zinc/04/32/46/1016043246.db2.gz NTPPZQSRIRGSEA-PKOBYXMFSA-N 1 2 341.455 3.586 20 0 EHADLO C/C(=C\C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000081318785 1016052334 /nfs/dbraw/zinc/05/23/34/1016052334.db2.gz JHRVTUUGUZPCBL-VOGRQWBCSA-N 1 2 325.456 3.813 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3c(c2)CCCC3)c1C ZINC000109464733 1016078447 /nfs/dbraw/zinc/07/84/47/1016078447.db2.gz XGVKTZQSRUIYQN-UHFFFAOYSA-N 1 2 338.451 3.858 20 0 EHADLO C[C@H](CNC(=O)CCCCCc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000275138238 1016088686 /nfs/dbraw/zinc/08/86/86/1016088686.db2.gz KZZVRKWFRGPYKD-MRXNPFEDSA-N 1 2 331.435 3.578 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047616680 1016207974 /nfs/dbraw/zinc/20/79/74/1016207974.db2.gz GKUNALLPPKUQDW-QGZVFWFLSA-N 1 2 342.487 3.945 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)on1 ZINC000046089455 1016279653 /nfs/dbraw/zinc/27/96/53/1016279653.db2.gz WWDMKXCSWIVZIU-CYBMUJFWSA-N 1 2 333.457 3.809 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)on1 ZINC000046089455 1016279662 /nfs/dbraw/zinc/27/96/62/1016279662.db2.gz WWDMKXCSWIVZIU-CYBMUJFWSA-N 1 2 333.457 3.809 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000683351367 1016308788 /nfs/dbraw/zinc/30/87/88/1016308788.db2.gz CWPIPMVICGDPLU-AWEZNQCLSA-N 1 2 330.432 3.678 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000683351367 1016308795 /nfs/dbraw/zinc/30/87/95/1016308795.db2.gz CWPIPMVICGDPLU-AWEZNQCLSA-N 1 2 330.432 3.678 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000093298557 1016340271 /nfs/dbraw/zinc/34/02/71/1016340271.db2.gz HCBBBQKKATZCIR-GFCCVEGCSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000093298557 1016340283 /nfs/dbraw/zinc/34/02/83/1016340283.db2.gz HCBBBQKKATZCIR-GFCCVEGCSA-N 1 2 345.270 3.800 20 0 EHADLO Cc1cc(N2CCO[C@H](COc3ccccc3)C2)[nH+]c2ccccc12 ZINC001167154881 1016367745 /nfs/dbraw/zinc/36/77/45/1016367745.db2.gz FCGKJQGJZIDCIW-SFHVURJKSA-N 1 2 334.419 3.827 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115561356 1016382178 /nfs/dbraw/zinc/38/21/78/1016382178.db2.gz RYIRGMDCNSIZAL-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115561356 1016382191 /nfs/dbraw/zinc/38/21/91/1016382191.db2.gz RYIRGMDCNSIZAL-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO c1ccc(CC[N@H+](Cc2nc3ccccc3o2)Cc2cccnc2)nc1 ZINC000430339556 1016400750 /nfs/dbraw/zinc/40/07/50/1016400750.db2.gz DFWQCXSVIFJHHP-UHFFFAOYSA-N 1 2 344.418 3.863 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nc3ccccc3o2)Cc2cccnc2)nc1 ZINC000430339556 1016400753 /nfs/dbraw/zinc/40/07/53/1016400753.db2.gz DFWQCXSVIFJHHP-UHFFFAOYSA-N 1 2 344.418 3.863 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3cnc(Cl)cc3C)CC2)c1 ZINC001209627986 1016446143 /nfs/dbraw/zinc/44/61/43/1016446143.db2.gz NGJBDMNNECQBQO-UHFFFAOYSA-N 1 2 329.875 3.982 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000430375609 1016536107 /nfs/dbraw/zinc/53/61/07/1016536107.db2.gz YMGFXDRJTTUFOA-KGLIPLIRSA-N 1 2 348.516 3.805 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000430375609 1016536119 /nfs/dbraw/zinc/53/61/19/1016536119.db2.gz YMGFXDRJTTUFOA-KGLIPLIRSA-N 1 2 348.516 3.805 20 0 EHADLO CC(C)c1cccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000275369963 1016591279 /nfs/dbraw/zinc/59/12/79/1016591279.db2.gz XVCLEZXNTRVIKD-WMZOPIPTSA-N 1 2 342.443 3.585 20 0 EHADLO COC(=O)c1coc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000275394704 1016680006 /nfs/dbraw/zinc/68/00/06/1016680006.db2.gz ATCYYPVEWQRWPS-JTQLQIEISA-N 1 2 349.337 3.662 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197695 1016680391 /nfs/dbraw/zinc/68/03/91/1016680391.db2.gz ACUIOSOBYAPZBK-BXUZGUMPSA-N 1 2 330.375 3.574 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1nc2ccccc2s1)C(F)(F)F ZINC000340197695 1016680400 /nfs/dbraw/zinc/68/04/00/1016680400.db2.gz ACUIOSOBYAPZBK-BXUZGUMPSA-N 1 2 330.375 3.574 20 0 EHADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cscn1 ZINC000361817885 1016710701 /nfs/dbraw/zinc/71/07/01/1016710701.db2.gz WRSITSOJGOSKFS-LBPRGKRZSA-N 1 2 325.231 3.519 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000178725147 1016762517 /nfs/dbraw/zinc/76/25/17/1016762517.db2.gz OHIQZGZWHTVIKU-LLVKDONJSA-N 1 2 329.425 3.657 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000178725147 1016762529 /nfs/dbraw/zinc/76/25/29/1016762529.db2.gz OHIQZGZWHTVIKU-LLVKDONJSA-N 1 2 329.425 3.657 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155404664 1016768828 /nfs/dbraw/zinc/76/88/28/1016768828.db2.gz WOPCKJNQYRYJMD-UHFFFAOYSA-N 1 2 343.471 3.681 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc3cccnc3o2)c(C)c1 ZINC000648359175 1016768940 /nfs/dbraw/zinc/76/89/40/1016768940.db2.gz SACDYTHTJNCYLV-UHFFFAOYSA-N 1 2 337.423 3.824 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc3cccnc3o2)c(C)c1 ZINC000648359175 1016768954 /nfs/dbraw/zinc/76/89/54/1016768954.db2.gz SACDYTHTJNCYLV-UHFFFAOYSA-N 1 2 337.423 3.824 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3noc4c3CCCC4)CC2)c1 ZINC000653691742 1016769578 /nfs/dbraw/zinc/76/95/78/1016769578.db2.gz QCDUYCYNPAQLMQ-UHFFFAOYSA-N 1 2 347.846 3.645 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1c(F)cccc1F)C2 ZINC000376630371 1016959916 /nfs/dbraw/zinc/95/99/16/1016959916.db2.gz ZYLCDCMICONHSJ-VXGBXAGGSA-N 1 2 347.409 3.794 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1c(F)cccc1F)CC2 ZINC000376630371 1016959919 /nfs/dbraw/zinc/95/99/19/1016959919.db2.gz ZYLCDCMICONHSJ-VXGBXAGGSA-N 1 2 347.409 3.794 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000188116762 1017051542 /nfs/dbraw/zinc/05/15/42/1017051542.db2.gz GIVMDOQAOQUMNZ-OAQYLSRUSA-N 1 2 345.402 3.615 20 0 EHADLO CC[C@@H](CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC001126992665 1032162638 /nfs/dbraw/zinc/16/26/38/1032162638.db2.gz OKYXWWGWVBTOBS-HNNXBMFYSA-N 1 2 333.476 3.628 20 0 EHADLO CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000536720274 1032180845 /nfs/dbraw/zinc/18/08/45/1032180845.db2.gz CJUNSKJHWMCJAM-UHFFFAOYSA-N 1 2 338.455 3.874 20 0 EHADLO CCOc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)ccc1OC(F)F ZINC000080949231 1032227410 /nfs/dbraw/zinc/22/74/10/1032227410.db2.gz JEFSPUSTHXYURS-UHFFFAOYSA-N 1 2 348.353 3.879 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1F ZINC000528406081 1032242173 /nfs/dbraw/zinc/24/21/73/1032242173.db2.gz SMROAAWHHDJNSN-YPMHNXCESA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1F ZINC000528406081 1032242183 /nfs/dbraw/zinc/24/21/83/1032242183.db2.gz SMROAAWHHDJNSN-YPMHNXCESA-N 1 2 346.215 3.728 20 0 EHADLO COC[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C)o1 ZINC000449174420 1032266401 /nfs/dbraw/zinc/26/64/01/1032266401.db2.gz HLTOKPGMTPDQBT-QWHCGFSZSA-N 1 2 325.330 3.970 20 0 EHADLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1c(C)cccc1Cl ZINC000459583618 1032282289 /nfs/dbraw/zinc/28/22/89/1032282289.db2.gz SNTVCWFDSIKVFG-UHFFFAOYSA-N 1 2 335.879 3.647 20 0 EHADLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1c(C)cccc1Cl ZINC000459583618 1032282293 /nfs/dbraw/zinc/28/22/93/1032282293.db2.gz SNTVCWFDSIKVFG-UHFFFAOYSA-N 1 2 335.879 3.647 20 0 EHADLO Cc1scc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000184351469 1032285702 /nfs/dbraw/zinc/28/57/02/1032285702.db2.gz LOLPFMMZUIIJIP-ZDUSSCGKSA-N 1 2 334.510 3.945 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000081233520 1032286726 /nfs/dbraw/zinc/28/67/26/1032286726.db2.gz CNAMZSPRCWFISN-UHFFFAOYSA-N 1 2 340.452 3.938 20 0 EHADLO CCC[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000459580657 1032304181 /nfs/dbraw/zinc/30/41/81/1032304181.db2.gz PJQJKJJXUHSEEN-QGZVFWFLSA-N 1 2 341.459 3.807 20 0 EHADLO Cc1nc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)sc1C ZINC000923905779 1032314117 /nfs/dbraw/zinc/31/41/17/1032314117.db2.gz XYHPOQKKWLKQHX-ZDUSSCGKSA-N 1 2 331.445 3.566 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[nH]1 ZINC000449211922 1032315904 /nfs/dbraw/zinc/31/59/04/1032315904.db2.gz YOUQCQIYCFXBOB-VIFPVBQESA-N 1 2 349.410 3.620 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184878995 1032327558 /nfs/dbraw/zinc/32/75/58/1032327558.db2.gz DUHYFKHGOXQGHJ-HNNXBMFYSA-N 1 2 335.407 3.939 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC34CCC4)cs2)cc1 ZINC000081562727 1032329640 /nfs/dbraw/zinc/32/96/40/1032329640.db2.gz MKDADEFFXNKRQR-UHFFFAOYSA-N 1 2 341.480 3.761 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC34CCC4)cs2)cc1 ZINC000081562727 1032329648 /nfs/dbraw/zinc/32/96/48/1032329648.db2.gz MKDADEFFXNKRQR-UHFFFAOYSA-N 1 2 341.480 3.761 20 0 EHADLO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185062874 1032359557 /nfs/dbraw/zinc/35/95/57/1032359557.db2.gz KPOUJVXPUXVIMW-JTQLQIEISA-N 1 2 332.766 3.775 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H](C)C3(C)CC3)c(=S)[nH]2)cc1 ZINC000176833030 1032366070 /nfs/dbraw/zinc/36/60/70/1032366070.db2.gz PRVIJSLKFDGOIG-LBPRGKRZSA-N 1 2 332.473 3.694 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C3(C)CC3)c(=S)[nH]2)cc1 ZINC000176833030 1032366086 /nfs/dbraw/zinc/36/60/86/1032366086.db2.gz PRVIJSLKFDGOIG-LBPRGKRZSA-N 1 2 332.473 3.694 20 0 EHADLO CCn1nc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c2ccccc21 ZINC000459645453 1032367313 /nfs/dbraw/zinc/36/73/13/1032367313.db2.gz GRYHBLLQZOVCPG-LBPRGKRZSA-N 1 2 326.469 3.852 20 0 EHADLO COCc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1F ZINC000185211890 1032369215 /nfs/dbraw/zinc/36/92/15/1032369215.db2.gz VHCJLFHSNWQEHM-GOSISDBHSA-N 1 2 325.387 3.574 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1nc2c(s1)CCC2 ZINC000459651652 1032372826 /nfs/dbraw/zinc/37/28/26/1032372826.db2.gz PRKLBFXJTSIHTP-ZETCQYMHSA-N 1 2 333.404 3.958 20 0 EHADLO COc1cc2c(c(C[NH2+][C@@H](C)c3nc4c(s3)CCC4)c1)O[C@@H](C)C2 ZINC000459654756 1032376689 /nfs/dbraw/zinc/37/66/89/1032376689.db2.gz UEQHWYDASUCAKQ-RYUDHWBXSA-N 1 2 344.480 3.815 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)nc2c1 ZINC000528486883 1032378493 /nfs/dbraw/zinc/37/84/93/1032378493.db2.gz KHOBJODPTHMYLI-YZVOILCLSA-N 1 2 346.496 3.763 20 0 EHADLO Cc1ccc2sc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)nc2c1 ZINC000528486883 1032378503 /nfs/dbraw/zinc/37/85/03/1032378503.db2.gz KHOBJODPTHMYLI-YZVOILCLSA-N 1 2 346.496 3.763 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1nc2c(s1)CCC2 ZINC000459655215 1032379533 /nfs/dbraw/zinc/37/95/33/1032379533.db2.gz UOMPUTXPXJDRCE-ZWNOBZJWSA-N 1 2 335.498 3.791 20 0 EHADLO Fc1cccc(C[N@H+](Cc2nnc3n2CCCC3)C2CCCC2)c1 ZINC000369833031 1032388002 /nfs/dbraw/zinc/38/80/02/1032388002.db2.gz VVFHNSRPRLNHCB-UHFFFAOYSA-N 1 2 328.435 3.698 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2nnc3n2CCCC3)C2CCCC2)c1 ZINC000369833031 1032388016 /nfs/dbraw/zinc/38/80/16/1032388016.db2.gz VVFHNSRPRLNHCB-UHFFFAOYSA-N 1 2 328.435 3.698 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672102 1032400890 /nfs/dbraw/zinc/40/08/90/1032400890.db2.gz XDUMDTZGYTZYQK-ZYHUDNBSSA-N 1 2 349.422 3.589 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459672102 1032400902 /nfs/dbraw/zinc/40/09/02/1032400902.db2.gz XDUMDTZGYTZYQK-ZYHUDNBSSA-N 1 2 349.422 3.589 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459697353 1032423730 /nfs/dbraw/zinc/42/37/30/1032423730.db2.gz YMVBCVADHPHGDV-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459697353 1032423735 /nfs/dbraw/zinc/42/37/35/1032423735.db2.gz YMVBCVADHPHGDV-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO Cc1cc(CCCC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000084581257 1032443640 /nfs/dbraw/zinc/44/36/40/1032443640.db2.gz NHHBFCJJBAGKOG-UHFFFAOYSA-N 1 2 345.512 3.579 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000459762931 1032445196 /nfs/dbraw/zinc/44/51/96/1032445196.db2.gz LWTFVJLFGZLOIW-HNNXBMFYSA-N 1 2 339.414 3.863 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000459762931 1032445201 /nfs/dbraw/zinc/44/52/01/1032445201.db2.gz LWTFVJLFGZLOIW-HNNXBMFYSA-N 1 2 339.414 3.863 20 0 EHADLO COc1cccc(NC(=O)CC[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459752620 1032447374 /nfs/dbraw/zinc/44/73/74/1032447374.db2.gz BXGJLVRPYOXRNW-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO COc1cccc(NC(=O)CC[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459752620 1032447382 /nfs/dbraw/zinc/44/73/82/1032447382.db2.gz BXGJLVRPYOXRNW-UHFFFAOYSA-N 1 2 330.815 3.693 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2OC)C[C@H](C)[S@@]1=O ZINC000449317054 1032449628 /nfs/dbraw/zinc/44/96/28/1032449628.db2.gz AJGGBMSVRMJJGV-IJRIMCCZSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)C[C@H](C)[S@@]1=O ZINC000449317054 1032449630 /nfs/dbraw/zinc/44/96/30/1032449630.db2.gz AJGGBMSVRMJJGV-IJRIMCCZSA-N 1 2 331.481 3.580 20 0 EHADLO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459758738 1032449857 /nfs/dbraw/zinc/44/98/57/1032449857.db2.gz SNKRLYJTDZOTDD-AWEZNQCLSA-N 1 2 339.332 3.764 20 0 EHADLO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459758738 1032449862 /nfs/dbraw/zinc/44/98/62/1032449862.db2.gz SNKRLYJTDZOTDD-AWEZNQCLSA-N 1 2 339.332 3.764 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000528599524 1032481790 /nfs/dbraw/zinc/48/17/90/1032481790.db2.gz ZQZSRBOUROFVHE-UHFFFAOYSA-N 1 2 337.467 3.714 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000528599524 1032481796 /nfs/dbraw/zinc/48/17/96/1032481796.db2.gz ZQZSRBOUROFVHE-UHFFFAOYSA-N 1 2 337.467 3.714 20 0 EHADLO C[C@H](C[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822503 1032491167 /nfs/dbraw/zinc/49/11/67/1032491167.db2.gz HTYXWSPVJLKSFS-KGLIPLIRSA-N 1 2 345.443 3.707 20 0 EHADLO C[C@H](C[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459822503 1032491174 /nfs/dbraw/zinc/49/11/74/1032491174.db2.gz HTYXWSPVJLKSFS-KGLIPLIRSA-N 1 2 345.443 3.707 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000449405179 1032529374 /nfs/dbraw/zinc/52/93/74/1032529374.db2.gz IWDWTSSWHLMZDN-UHFFFAOYSA-N 1 2 347.482 3.983 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2cccc(Cl)c2F)C2CC2)c1 ZINC000449410236 1032533015 /nfs/dbraw/zinc/53/30/15/1032533015.db2.gz UYTMXLXNHXUZQI-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2cccc(Cl)c2F)C2CC2)c1 ZINC000449410236 1032533027 /nfs/dbraw/zinc/53/30/27/1032533027.db2.gz UYTMXLXNHXUZQI-UHFFFAOYSA-N 1 2 332.806 3.743 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000537154103 1032537814 /nfs/dbraw/zinc/53/78/14/1032537814.db2.gz SCRXVGCCXGFVOX-CYBMUJFWSA-N 1 2 346.500 3.762 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cncc3ccccc32)c1 ZINC000089764718 1032541298 /nfs/dbraw/zinc/54/12/98/1032541298.db2.gz MHVNRDAYBKARIY-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426083 1032542135 /nfs/dbraw/zinc/54/21/35/1032542135.db2.gz QRLFHMFQVPRMBZ-HKUYNNGSSA-N 1 2 349.833 3.649 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426083 1032542142 /nfs/dbraw/zinc/54/21/42/1032542142.db2.gz QRLFHMFQVPRMBZ-HKUYNNGSSA-N 1 2 349.833 3.649 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000537169831 1032545891 /nfs/dbraw/zinc/54/58/91/1032545891.db2.gz GCKPYWAULIXEOZ-NUJGCVRESA-N 1 2 332.463 3.857 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nccn1C(F)F)c1cccc(C(F)(F)F)c1 ZINC000449437935 1032582260 /nfs/dbraw/zinc/58/22/60/1032582260.db2.gz NWWHXQKBSHMPRV-GFCCVEGCSA-N 1 2 349.303 3.510 20 0 EHADLO O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000449471848 1032590944 /nfs/dbraw/zinc/59/09/44/1032590944.db2.gz PHQWEGXBHJQXRG-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000449471848 1032590951 /nfs/dbraw/zinc/59/09/51/1032590951.db2.gz PHQWEGXBHJQXRG-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO CCOc1ccccc1-c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000090819985 1032600019 /nfs/dbraw/zinc/60/00/19/1032600019.db2.gz GCTBRJIZWSAQFW-UHFFFAOYSA-N 1 2 349.434 3.769 20 0 EHADLO Cn1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c(-c2ccccc2)n1 ZINC000091145628 1032638750 /nfs/dbraw/zinc/63/87/50/1032638750.db2.gz SGCRSAMOYBXLOP-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO CCc1nocc1C[NH2+]Cc1nn(CCC(C)C)c2ccccc12 ZINC000449487863 1032642352 /nfs/dbraw/zinc/64/23/52/1032642352.db2.gz BDDIGQPZVZNZDC-UHFFFAOYSA-N 1 2 326.444 3.923 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CC(Oc2cc[nH+]cc2)C1 ZINC000602127172 1032654657 /nfs/dbraw/zinc/65/46/57/1032654657.db2.gz KPVNQHZMSNYOFA-UHFFFAOYSA-N 1 2 348.855 3.507 20 0 EHADLO CC[C@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(C)cc1 ZINC000606374424 1032658024 /nfs/dbraw/zinc/65/80/24/1032658024.db2.gz WFGBWYVKPLHZJK-QGZVFWFLSA-N 1 2 325.456 3.892 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1nc(C(C)(C)C)no1 ZINC000237515159 1017083566 /nfs/dbraw/zinc/08/35/66/1017083566.db2.gz RUNYMZSMNVRLCP-SNVBAGLBSA-N 1 2 338.249 3.980 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000188542204 1017197890 /nfs/dbraw/zinc/19/78/90/1017197890.db2.gz XSCOMYSBBISGCB-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO CCC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CCCC1 ZINC000655620929 1017306463 /nfs/dbraw/zinc/30/64/63/1017306463.db2.gz HHBTVLXMIHGVNO-QGZVFWFLSA-N 1 2 340.471 3.726 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000606450267 1032690951 /nfs/dbraw/zinc/69/09/51/1032690951.db2.gz UAHXORCXOVXMOY-CYBMUJFWSA-N 1 2 346.833 3.715 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000606450267 1032690962 /nfs/dbraw/zinc/69/09/62/1032690962.db2.gz UAHXORCXOVXMOY-CYBMUJFWSA-N 1 2 346.833 3.715 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CCC(F)(F)CC1)C2 ZINC000377170313 1017380051 /nfs/dbraw/zinc/38/00/51/1017380051.db2.gz TUVXDQNQTNVNQO-LBPRGKRZSA-N 1 2 339.430 3.674 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CCC(F)(F)CC1)CC2 ZINC000377170313 1017380067 /nfs/dbraw/zinc/38/00/67/1017380067.db2.gz TUVXDQNQTNVNQO-LBPRGKRZSA-N 1 2 339.430 3.674 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606450606 1032694281 /nfs/dbraw/zinc/69/42/81/1032694281.db2.gz KDSIDMBFEHOLQJ-OAHLLOKOSA-N 1 2 338.426 3.724 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000606450606 1032694293 /nfs/dbraw/zinc/69/42/93/1032694293.db2.gz KDSIDMBFEHOLQJ-OAHLLOKOSA-N 1 2 338.426 3.724 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1C(C)C ZINC000081798027 1032705135 /nfs/dbraw/zinc/70/51/35/1032705135.db2.gz XSYPDBWQBBQESP-NVXWUHKLSA-N 1 2 343.471 3.535 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)s1 ZINC000655760612 1017544220 /nfs/dbraw/zinc/54/42/20/1017544220.db2.gz VMNVHEZBZNNKDZ-NSHDSACASA-N 1 2 347.875 3.845 20 0 EHADLO Cc1cc(N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000549195477 1017605959 /nfs/dbraw/zinc/60/59/59/1017605959.db2.gz MDERSQYZZOARNS-OAHLLOKOSA-N 1 2 331.382 3.845 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc2ccccc2s1 ZINC000655794912 1017630989 /nfs/dbraw/zinc/63/09/89/1017630989.db2.gz VCHLDBSFQDXSOY-YPMHNXCESA-N 1 2 328.441 3.722 20 0 EHADLO c1csc([C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCCC2)c1 ZINC000655798774 1017638383 /nfs/dbraw/zinc/63/83/83/1017638383.db2.gz YIFWGJVZTCLEIF-CJNGLKHVSA-N 1 2 332.473 3.739 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000655799126 1017641378 /nfs/dbraw/zinc/64/13/78/1017641378.db2.gz ZXWLOYMBZOURLZ-KSSFIOAISA-N 1 2 349.438 3.569 20 0 EHADLO COc1c(C)cccc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000655809584 1017660470 /nfs/dbraw/zinc/66/04/70/1017660470.db2.gz ARDABLXANHVVCW-OAHLLOKOSA-N 1 2 336.439 3.744 20 0 EHADLO Brc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)nc1 ZINC000111786782 1017697647 /nfs/dbraw/zinc/69/76/47/1017697647.db2.gz QFTCZXTYGAJLDA-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000892912528 1017700543 /nfs/dbraw/zinc/70/05/43/1017700543.db2.gz VCZWBFIHMIDIFY-DOMZBBRYSA-N 1 2 343.818 3.674 20 0 EHADLO Fc1cc(OCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)ccc1Cl ZINC000528742233 1032719074 /nfs/dbraw/zinc/71/90/74/1032719074.db2.gz RVCUUHOJXAZQIV-UHFFFAOYSA-N 1 2 347.821 3.584 20 0 EHADLO Fc1cc(OCC[N@H+]2CCc3nc(C4CC4)ncc3C2)ccc1Cl ZINC000528742233 1032719080 /nfs/dbraw/zinc/71/90/80/1032719080.db2.gz RVCUUHOJXAZQIV-UHFFFAOYSA-N 1 2 347.821 3.584 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ncc(Br)cn1 ZINC000340425129 1017737888 /nfs/dbraw/zinc/73/78/88/1017737888.db2.gz LPKYFTRFMUPGHF-OTYXRUKQSA-N 1 2 336.208 3.716 20 0 EHADLO Cc1[nH+]cc(Nc2c(F)cc(F)c(F)c2Br)cc1N ZINC001210288346 1017743909 /nfs/dbraw/zinc/74/39/09/1017743909.db2.gz NIBSORCYPWNWSE-UHFFFAOYSA-N 1 2 332.123 3.896 20 0 EHADLO CCc1ncc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)s1 ZINC000091771979 1032723737 /nfs/dbraw/zinc/72/37/37/1032723737.db2.gz JXBMYDGOSQULKY-MRXNPFEDSA-N 1 2 346.496 3.895 20 0 EHADLO CCc1ncc(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)s1 ZINC000091771979 1032723743 /nfs/dbraw/zinc/72/37/43/1032723743.db2.gz JXBMYDGOSQULKY-MRXNPFEDSA-N 1 2 346.496 3.895 20 0 EHADLO CCC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000606494361 1032724231 /nfs/dbraw/zinc/72/42/31/1032724231.db2.gz ADILSZYEELJEOK-HNNXBMFYSA-N 1 2 337.533 3.716 20 0 EHADLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccccc1Cl)C[C@H]2O ZINC000053145630 1017909639 /nfs/dbraw/zinc/90/96/39/1017909639.db2.gz XUDAWGIXYBKMJW-BLLLJJGKSA-N 1 2 347.842 3.967 20 0 EHADLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccccc1Cl)C[C@H]2O ZINC000053145630 1017909649 /nfs/dbraw/zinc/90/96/49/1017909649.db2.gz XUDAWGIXYBKMJW-BLLLJJGKSA-N 1 2 347.842 3.967 20 0 EHADLO Cc1cc(C)cc(CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000137863916 1017942284 /nfs/dbraw/zinc/94/22/84/1017942284.db2.gz XYSVWCDTHWNVKY-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377535432 1017954887 /nfs/dbraw/zinc/95/48/87/1017954887.db2.gz HGZKTDJAHOJTOS-VIFPVBQESA-N 1 2 341.242 3.758 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cnnn1-c1ccccc1)CCC2 ZINC000377565636 1017996285 /nfs/dbraw/zinc/99/62/85/1017996285.db2.gz TXEPAGOXZBSGKQ-QGZVFWFLSA-N 1 2 339.468 3.542 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cnnn1-c1ccccc1)CCC2 ZINC000377565636 1017996299 /nfs/dbraw/zinc/99/62/99/1017996299.db2.gz TXEPAGOXZBSGKQ-QGZVFWFLSA-N 1 2 339.468 3.542 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1c(Cl)cccc1OCC1CC1 ZINC000892965363 1018000244 /nfs/dbraw/zinc/00/02/44/1018000244.db2.gz JLXWSBHLPSLYKD-UHFFFAOYSA-N 1 2 347.846 3.536 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795067 1018048176 /nfs/dbraw/zinc/04/81/76/1018048176.db2.gz LEZYQWLZGWKVHC-ORAYPTAESA-N 1 2 343.377 3.734 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cn1cnc2cc(F)c(F)cc21 ZINC000066795067 1018048186 /nfs/dbraw/zinc/04/81/86/1018048186.db2.gz LEZYQWLZGWKVHC-ORAYPTAESA-N 1 2 343.377 3.734 20 0 EHADLO Cc1ccncc1CCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377623162 1018084678 /nfs/dbraw/zinc/08/46/78/1018084678.db2.gz ZXYJBLXSYYWVQI-QGZVFWFLSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1ccncc1CCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377623162 1018084691 /nfs/dbraw/zinc/08/46/91/1018084691.db2.gz ZXYJBLXSYYWVQI-QGZVFWFLSA-N 1 2 326.444 3.810 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)on1 ZINC000047273904 1018089267 /nfs/dbraw/zinc/08/92/67/1018089267.db2.gz WYTMGXUQIJFTKI-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)on1 ZINC000047273904 1018089281 /nfs/dbraw/zinc/08/92/81/1018089281.db2.gz WYTMGXUQIJFTKI-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932795665 1018095037 /nfs/dbraw/zinc/09/50/37/1018095037.db2.gz SQJSOKDLWITGLL-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932795665 1018095053 /nfs/dbraw/zinc/09/50/53/1018095053.db2.gz SQJSOKDLWITGLL-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)O[C@@H](C[NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000639209672 1018126225 /nfs/dbraw/zinc/12/62/25/1018126225.db2.gz COKJRDLLHDZBFV-IBGZPJMESA-N 1 2 336.439 3.523 20 0 EHADLO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)o1 ZINC000893014747 1018152170 /nfs/dbraw/zinc/15/21/70/1018152170.db2.gz XOOAIWKSEZPDGC-LLVKDONJSA-N 1 2 327.783 3.948 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000433320710 1032747480 /nfs/dbraw/zinc/74/74/80/1032747480.db2.gz MGVRNUMMCHDYJB-LBPRGKRZSA-N 1 2 330.375 3.548 20 0 EHADLO COC1(CO)CC[NH+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000683725710 1018190620 /nfs/dbraw/zinc/19/06/20/1018190620.db2.gz KRVGAYUCUOEJOV-UHFFFAOYSA-N 1 2 338.662 3.620 20 0 EHADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3cc(C)on3)ccc2NC1=O ZINC000340521638 1018205824 /nfs/dbraw/zinc/20/58/24/1018205824.db2.gz BOTWPNGLMZOQIV-MKBNYLNASA-N 1 2 329.400 3.504 20 0 EHADLO COc1cc(C)ccc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924048085 1018290246 /nfs/dbraw/zinc/29/02/46/1018290246.db2.gz MKAOHXHVTOJCLJ-OAHLLOKOSA-N 1 2 326.400 3.886 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000510312364 1018303179 /nfs/dbraw/zinc/30/31/79/1018303179.db2.gz CJJGRKICQCMZNB-ZDUSSCGKSA-N 1 2 348.384 3.865 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000510312364 1018303193 /nfs/dbraw/zinc/30/31/93/1018303193.db2.gz CJJGRKICQCMZNB-ZDUSSCGKSA-N 1 2 348.384 3.865 20 0 EHADLO Cc1cn2cc(NC(=O)NCC(C)(C)c3ccccc3F)ccc2[nH+]1 ZINC000606570407 1032755408 /nfs/dbraw/zinc/75/54/08/1032755408.db2.gz QXIGZCLWNYHCJB-UHFFFAOYSA-N 1 2 340.402 3.881 20 0 EHADLO CC(C)COc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000047696902 1018313604 /nfs/dbraw/zinc/31/36/04/1018313604.db2.gz RRVISPVXMKJRQU-UHFFFAOYSA-N 1 2 342.443 3.740 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)c2)oc1C ZINC000377775749 1018349773 /nfs/dbraw/zinc/34/97/73/1018349773.db2.gz DFOGLABXGKZKMY-HNNXBMFYSA-N 1 2 336.395 3.740 20 0 EHADLO C/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC001125408475 1018378681 /nfs/dbraw/zinc/37/86/81/1018378681.db2.gz YTUKPIZAWKHALQ-XNTDXEJSSA-N 1 2 337.448 3.713 20 0 EHADLO CCCCN(Cc1ccccc1F)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651079014 1018395098 /nfs/dbraw/zinc/39/50/98/1018395098.db2.gz FSPAUNYAZULOAA-UHFFFAOYSA-N 1 2 343.446 3.730 20 0 EHADLO COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580484 1032763269 /nfs/dbraw/zinc/76/32/69/1032763269.db2.gz QPOAHTPQHAORED-UHFFFAOYSA-N 1 2 344.802 3.660 20 0 EHADLO CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606581190 1032764164 /nfs/dbraw/zinc/76/41/64/1032764164.db2.gz UEXGHZULINISOS-UHFFFAOYSA-N 1 2 338.411 3.833 20 0 EHADLO COC(=O)c1ccoc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593112474 1032762863 /nfs/dbraw/zinc/76/28/63/1032762863.db2.gz PLKIXXUFARVSKB-UHFFFAOYSA-N 1 2 339.313 3.864 20 0 EHADLO Cc1nc([C@@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000377873742 1018500174 /nfs/dbraw/zinc/50/01/74/1018500174.db2.gz KRPZTBYFPNAPDR-GFCCVEGCSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000377873742 1018500179 /nfs/dbraw/zinc/50/01/79/1018500179.db2.gz KRPZTBYFPNAPDR-GFCCVEGCSA-N 1 2 343.406 3.533 20 0 EHADLO Cc1ccc(OCCCCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606581633 1032768729 /nfs/dbraw/zinc/76/87/29/1032768729.db2.gz KVLSCDUJZLWILR-UHFFFAOYSA-N 1 2 338.411 3.623 20 0 EHADLO O=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc2[nH+]ccn2c1 ZINC000606583732 1032770740 /nfs/dbraw/zinc/77/07/40/1032770740.db2.gz LXRQSKBJBXVIMG-UHFFFAOYSA-N 1 2 332.363 3.916 20 0 EHADLO COCC[N@H+](Cc1ccn(C)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000271063301 1018555508 /nfs/dbraw/zinc/55/55/08/1018555508.db2.gz HKWOEHBXPUEESJ-CYBMUJFWSA-N 1 2 341.377 3.649 20 0 EHADLO COCC[N@@H+](Cc1ccn(C)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000271063301 1018555519 /nfs/dbraw/zinc/55/55/19/1018555519.db2.gz HKWOEHBXPUEESJ-CYBMUJFWSA-N 1 2 341.377 3.649 20 0 EHADLO FC(F)(F)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000893125162 1018568945 /nfs/dbraw/zinc/56/89/45/1018568945.db2.gz FNRWCEPDBLJQPD-UHFFFAOYSA-N 1 2 338.377 3.994 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)cc2)co1 ZINC000725882548 1018582172 /nfs/dbraw/zinc/58/21/72/1018582172.db2.gz IQQCDNSIOFSNBU-UHFFFAOYSA-N 1 2 346.390 3.787 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000340592095 1018607872 /nfs/dbraw/zinc/60/78/72/1018607872.db2.gz IEXGFKYWFNELIE-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO COc1cc(Nc2ccc(F)c(Br)c2O)cc(C)[nH+]1 ZINC001210781082 1018679143 /nfs/dbraw/zinc/67/91/43/1018679143.db2.gz XFAUTDRZYNPMLS-UHFFFAOYSA-N 1 2 327.153 3.749 20 0 EHADLO COc1cc(Cl)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1C ZINC000580124376 1018675575 /nfs/dbraw/zinc/67/55/75/1018675575.db2.gz FOEDLGRCOWVVQC-UHFFFAOYSA-N 1 2 343.814 3.794 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000052074030 1018720628 /nfs/dbraw/zinc/72/06/28/1018720628.db2.gz WRBWXTRFMIJBIT-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000052074030 1018720644 /nfs/dbraw/zinc/72/06/44/1018720644.db2.gz WRBWXTRFMIJBIT-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000049998953 1018729754 /nfs/dbraw/zinc/72/97/54/1018729754.db2.gz JRXYUVNNYRWQIS-CYBMUJFWSA-N 1 2 342.443 3.714 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683829860 1018742120 /nfs/dbraw/zinc/74/21/20/1018742120.db2.gz FXISNJYTJSBIRP-KRWDZBQOSA-N 1 2 332.451 3.509 20 0 EHADLO CCCc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000116643535 1032784822 /nfs/dbraw/zinc/78/48/22/1032784822.db2.gz ZRADGYFFBKAPOH-UHFFFAOYSA-N 1 2 338.451 3.724 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](Cc1ccc3cnccc3c1)C2 ZINC000683835790 1018791579 /nfs/dbraw/zinc/79/15/79/1018791579.db2.gz XMAIBXCQGKKFPH-UHFFFAOYSA-N 1 2 340.430 3.979 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](Cc1ccc3cnccc3c1)C2 ZINC000683835790 1018791588 /nfs/dbraw/zinc/79/15/88/1018791588.db2.gz XMAIBXCQGKKFPH-UHFFFAOYSA-N 1 2 340.430 3.979 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213243 1018797686 /nfs/dbraw/zinc/79/76/86/1018797686.db2.gz KWIDGXOJNJTANP-LSDHHAIUSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000580213243 1018797700 /nfs/dbraw/zinc/79/77/00/1018797700.db2.gz KWIDGXOJNJTANP-LSDHHAIUSA-N 1 2 343.858 3.860 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000047597711 1018848999 /nfs/dbraw/zinc/84/89/99/1018848999.db2.gz QTSFIAQUNDRDAF-IBGZPJMESA-N 1 2 340.471 3.894 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213933 1018875779 /nfs/dbraw/zinc/87/57/79/1018875779.db2.gz CDZYFDXAQFBFNF-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213933 1018875799 /nfs/dbraw/zinc/87/57/99/1018875799.db2.gz CDZYFDXAQFBFNF-CQSZACIVSA-N 1 2 339.277 3.501 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)n1 ZINC000580259639 1018886369 /nfs/dbraw/zinc/88/63/69/1018886369.db2.gz QOMFBYLKYODMSN-YPMHNXCESA-N 1 2 330.444 3.692 20 0 EHADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255893182 1019007891 /nfs/dbraw/zinc/00/78/91/1019007891.db2.gz IXYDJJYPOVMXMU-HIFRSBDPSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255893182 1019007906 /nfs/dbraw/zinc/00/79/06/1019007906.db2.gz IXYDJJYPOVMXMU-HIFRSBDPSA-N 1 2 331.485 3.594 20 0 EHADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccoc1 ZINC000345094029 1019044342 /nfs/dbraw/zinc/04/43/42/1019044342.db2.gz WGNFRRBFNQYETH-UHFFFAOYSA-N 1 2 332.419 3.678 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccoc1 ZINC000345094029 1019044358 /nfs/dbraw/zinc/04/43/58/1019044358.db2.gz WGNFRRBFNQYETH-UHFFFAOYSA-N 1 2 332.419 3.678 20 0 EHADLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000340648155 1019066896 /nfs/dbraw/zinc/06/68/96/1019066896.db2.gz LHRNFXLZUJLIBM-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)o1 ZINC000030151867 1019087171 /nfs/dbraw/zinc/08/71/71/1019087171.db2.gz TWYOOXQPRJPTBQ-BLLLJJGKSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)o1 ZINC000030151867 1019087189 /nfs/dbraw/zinc/08/71/89/1019087189.db2.gz TWYOOXQPRJPTBQ-BLLLJJGKSA-N 1 2 329.396 3.947 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000580340762 1019094451 /nfs/dbraw/zinc/09/44/51/1019094451.db2.gz RJIMDYWYCBNCCT-DZGCQCFKSA-N 1 2 328.460 3.989 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000580340763 1019095217 /nfs/dbraw/zinc/09/52/17/1019095217.db2.gz RJIMDYWYCBNCCT-HIFRSBDPSA-N 1 2 328.460 3.989 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)s1 ZINC000894191058 1019109547 /nfs/dbraw/zinc/10/95/47/1019109547.db2.gz CKMNMMXMQVDTQW-NSHDSACASA-N 1 2 330.409 3.835 20 0 EHADLO CCc1cc(N2CC3(CCOCC3)[C@H]2c2ccccc2)nc(CC)[nH+]1 ZINC000894203996 1019135632 /nfs/dbraw/zinc/13/56/32/1019135632.db2.gz JJNXJOUDZKLWQZ-HXUWFJFHSA-N 1 2 337.467 3.960 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167933062 1019161212 /nfs/dbraw/zinc/16/12/12/1019161212.db2.gz AHPIODBPUNFKCK-KYHPRHEASA-N 1 2 326.465 3.982 20 0 EHADLO c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167933062 1019161220 /nfs/dbraw/zinc/16/12/20/1019161220.db2.gz AHPIODBPUNFKCK-KYHPRHEASA-N 1 2 326.465 3.982 20 0 EHADLO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000022272001 1019245693 /nfs/dbraw/zinc/24/56/93/1019245693.db2.gz VKSYUTJFKVMSNQ-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO CC(=O)c1ccc(Br)cc1OC1C[NH+](C(C)(C)C)C1 ZINC001225391854 1019249481 /nfs/dbraw/zinc/24/94/81/1019249481.db2.gz CVXJAZCHGXMSJE-UHFFFAOYSA-N 1 2 326.234 3.513 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1[nH]c2ccccc2c1Cl ZINC000580389344 1019258287 /nfs/dbraw/zinc/25/82/87/1019258287.db2.gz JPTYZFRWNJIZDU-UHFFFAOYSA-N 1 2 342.830 3.626 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528786582 1032819956 /nfs/dbraw/zinc/81/99/56/1032819956.db2.gz GJHBLKSLDHRCPO-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528786582 1032819963 /nfs/dbraw/zinc/81/99/63/1032819963.db2.gz GJHBLKSLDHRCPO-HNNXBMFYSA-N 1 2 348.244 3.590 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3nc(C)ccc3o2)n1 ZINC000729333053 1019295308 /nfs/dbraw/zinc/29/53/08/1019295308.db2.gz JHMJBMRIRSJQAS-UHFFFAOYSA-N 1 2 344.440 3.687 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cccc2)cc1 ZINC000052910048 1019306130 /nfs/dbraw/zinc/30/61/30/1019306130.db2.gz LRVIRRJXPZCIJB-UHFFFAOYSA-N 1 2 328.375 3.915 20 0 EHADLO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052926892 1019315416 /nfs/dbraw/zinc/31/54/16/1019315416.db2.gz AIVYRTINCVMTLR-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000153784159 1019320570 /nfs/dbraw/zinc/32/05/70/1019320570.db2.gz RRWJHMYDGWKPPW-QGZVFWFLSA-N 1 2 340.471 3.989 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528790855 1032829325 /nfs/dbraw/zinc/82/93/25/1032829325.db2.gz ZCBBYVUIOKOVIA-INIZCTEOSA-N 1 2 347.846 3.960 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528790855 1032829338 /nfs/dbraw/zinc/82/93/38/1032829338.db2.gz ZCBBYVUIOKOVIA-INIZCTEOSA-N 1 2 347.846 3.960 20 0 EHADLO O=S(=O)(Nc1ccc2[nH+]ccn2c1)c1ccccc1-c1ccccc1 ZINC000606751664 1032829341 /nfs/dbraw/zinc/82/93/41/1032829341.db2.gz BWCLSJWTJLCCOF-UHFFFAOYSA-N 1 2 349.415 3.802 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[S@]1=O ZINC000449573157 1032831559 /nfs/dbraw/zinc/83/15/59/1032831559.db2.gz QUVSRQKZRXRHRD-HSZRJFAPSA-N 1 2 335.444 3.819 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[S@]1=O ZINC000449573157 1032831574 /nfs/dbraw/zinc/83/15/74/1032831574.db2.gz QUVSRQKZRXRHRD-HSZRJFAPSA-N 1 2 335.444 3.819 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(NCc2cccc3[nH+]ccn32)c(C)c1 ZINC000340701416 1019470588 /nfs/dbraw/zinc/47/05/88/1019470588.db2.gz PYLNYKFCZJNGEN-OAHLLOKOSA-N 1 2 336.439 3.783 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[N@H+](C)Cc1cnccn1 ZINC000092591126 1032833572 /nfs/dbraw/zinc/83/35/72/1032833572.db2.gz IZTPURJJQWTIPW-UHFFFAOYSA-N 1 2 330.451 3.874 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[N@@H+](C)Cc1cnccn1 ZINC000092591126 1032833584 /nfs/dbraw/zinc/83/35/84/1032833584.db2.gz IZTPURJJQWTIPW-UHFFFAOYSA-N 1 2 330.451 3.874 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000433711079 1019527161 /nfs/dbraw/zinc/52/71/61/1019527161.db2.gz AGWFLVYDPIUYKU-KRWDZBQOSA-N 1 2 349.434 3.730 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000513323311 1019531853 /nfs/dbraw/zinc/53/18/53/1019531853.db2.gz HBKJJKIKZWBISB-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Sc3ccccn3)o2)C[C@@H](C2CC2)O1 ZINC000513342141 1019562188 /nfs/dbraw/zinc/56/21/88/1019562188.db2.gz BZSRDWHXSJVADF-BBRMVZONSA-N 1 2 330.453 3.825 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Sc3ccccn3)o2)C[C@@H](C2CC2)O1 ZINC000513342141 1019562198 /nfs/dbraw/zinc/56/21/98/1019562198.db2.gz BZSRDWHXSJVADF-BBRMVZONSA-N 1 2 330.453 3.825 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000580568581 1019658617 /nfs/dbraw/zinc/65/86/17/1019658617.db2.gz KNZIKIUAOSGVMN-MRXNPFEDSA-N 1 2 345.446 3.840 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000580568581 1019658625 /nfs/dbraw/zinc/65/86/25/1019658625.db2.gz KNZIKIUAOSGVMN-MRXNPFEDSA-N 1 2 345.446 3.840 20 0 EHADLO CC(C)c1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000433823366 1019663017 /nfs/dbraw/zinc/66/30/17/1019663017.db2.gz WROOBCUSLCLOQK-WFASDCNBSA-N 1 2 345.409 3.863 20 0 EHADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000513433812 1019663623 /nfs/dbraw/zinc/66/36/23/1019663623.db2.gz ZFIKQRWFAGDGAO-UEKVPHQBSA-N 1 2 329.362 3.739 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(C(F)(F)F)ccc2F)c[nH+]1 ZINC000397051800 1032846457 /nfs/dbraw/zinc/84/64/57/1032846457.db2.gz YQNVRBCIUDTCPW-UHFFFAOYSA-N 1 2 326.293 3.786 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C/C=C\c2cccc(F)c2)c1C ZINC000255659106 1019792952 /nfs/dbraw/zinc/79/29/52/1019792952.db2.gz RRYXRDUHJFYRLY-VURMDHGXSA-N 1 2 342.414 3.908 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CC3CCC1CC3)C2 ZINC000580650959 1019796258 /nfs/dbraw/zinc/79/62/58/1019796258.db2.gz VAADCHJUQBNNKY-FJBKBRRZSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CC3CCC1CC3)CC2 ZINC000580650959 1019796277 /nfs/dbraw/zinc/79/62/77/1019796277.db2.gz VAADCHJUQBNNKY-FJBKBRRZSA-N 1 2 329.488 3.581 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000684022553 1019841017 /nfs/dbraw/zinc/84/10/17/1019841017.db2.gz FVZFKQSQZGQNMQ-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000684022553 1019841031 /nfs/dbraw/zinc/84/10/31/1019841031.db2.gz FVZFKQSQZGQNMQ-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000580692417 1019861400 /nfs/dbraw/zinc/86/14/00/1019861400.db2.gz SCYGVSNQYYPQNF-AWEZNQCLSA-N 1 2 332.835 3.850 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(CSC)cc2)c1C ZINC000050449496 1019932117 /nfs/dbraw/zinc/93/21/17/1019932117.db2.gz PWVRIJVHKJOZHR-UHFFFAOYSA-N 1 2 330.453 3.500 20 0 EHADLO CCOC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCC1 ZINC000340747723 1019939030 /nfs/dbraw/zinc/93/90/30/1019939030.db2.gz DTMMJAAYVDIUPY-UHFFFAOYSA-N 1 2 333.819 3.814 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+]Cc2ncc(C(=O)OC)s2)cc1 ZINC000894236725 1019946743 /nfs/dbraw/zinc/94/67/43/1019946743.db2.gz WUKPQEIOSCZJBP-LLVKDONJSA-N 1 2 336.482 3.893 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nc2ccccc2s1 ZINC000430505351 1019949658 /nfs/dbraw/zinc/94/96/58/1019949658.db2.gz YFOUATZQXLVSRU-UHFFFAOYSA-N 1 2 342.468 3.608 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(C(C)C)CC1 ZINC000476105175 1032865003 /nfs/dbraw/zinc/86/50/03/1032865003.db2.gz ALEDPXHOJZPRSE-UHFFFAOYSA-N 1 2 335.398 3.518 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000345145421 1019975309 /nfs/dbraw/zinc/97/53/09/1019975309.db2.gz VMCOQSCZOYJMDQ-UHFFFAOYSA-N 1 2 331.379 3.651 20 0 EHADLO C[C@H]1SCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000345173937 1020008509 /nfs/dbraw/zinc/00/85/09/1020008509.db2.gz WPNWRZRMMSRACD-VHSXEESVSA-N 1 2 344.274 3.504 20 0 EHADLO C[C@H]1SCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000345173937 1020008522 /nfs/dbraw/zinc/00/85/22/1020008522.db2.gz WPNWRZRMMSRACD-VHSXEESVSA-N 1 2 344.274 3.504 20 0 EHADLO Cc1cccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c12 ZINC000340798566 1020008464 /nfs/dbraw/zinc/00/84/64/1020008464.db2.gz NXUWIWMDXHFCCO-UHFFFAOYSA-N 1 2 335.455 3.832 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055681 1020049801 /nfs/dbraw/zinc/04/98/01/1020049801.db2.gz QMMHPUXDCFSZCV-KDOFPFPSSA-N 1 2 342.439 3.619 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)o1 ZINC000048055681 1020049813 /nfs/dbraw/zinc/04/98/13/1020049813.db2.gz QMMHPUXDCFSZCV-KDOFPFPSSA-N 1 2 342.439 3.619 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncccc2F)c(C)c1 ZINC000528826070 1032870939 /nfs/dbraw/zinc/87/09/39/1032870939.db2.gz UFGFOYYSXYIWLG-LSDHHAIUSA-N 1 2 329.419 3.824 20 0 EHADLO Cc1ccc2occ(CC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000528828881 1032878042 /nfs/dbraw/zinc/87/80/42/1032878042.db2.gz PBQHNPOAXJCYAC-MAUKXSAKSA-N 1 2 337.423 3.590 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccn1 ZINC000130023850 1020121389 /nfs/dbraw/zinc/12/13/89/1020121389.db2.gz PMOTZFUZPCPROU-NSHDSACASA-N 1 2 334.345 3.838 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cc(OC)ccc2OC(F)F)o1 ZINC000449614984 1032883653 /nfs/dbraw/zinc/88/36/53/1032883653.db2.gz XMOQSSYTCOUFRX-UHFFFAOYSA-N 1 2 326.343 3.527 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000280252549 1020247231 /nfs/dbraw/zinc/24/72/31/1020247231.db2.gz LYMOQNHPEGVDGO-AWEZNQCLSA-N 1 2 346.862 3.514 20 0 EHADLO CC(C)[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1cccnc1 ZINC000093225735 1032886800 /nfs/dbraw/zinc/88/68/00/1032886800.db2.gz WCPVULIHPIXVKI-UHFFFAOYSA-N 1 2 344.365 3.820 20 0 EHADLO CC(C)[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1cccnc1 ZINC000093225735 1032886823 /nfs/dbraw/zinc/88/68/23/1032886823.db2.gz WCPVULIHPIXVKI-UHFFFAOYSA-N 1 2 344.365 3.820 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345446707 1020259124 /nfs/dbraw/zinc/25/91/24/1020259124.db2.gz LUQKRWUVXWDILY-FGTMMUONSA-N 1 2 342.826 3.518 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345446736 1020260069 /nfs/dbraw/zinc/26/00/69/1020260069.db2.gz LUQKRWUVXWDILY-KZNAEPCWSA-N 1 2 342.826 3.518 20 0 EHADLO O=C(CCc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345452529 1020267007 /nfs/dbraw/zinc/26/70/07/1020267007.db2.gz SETBBTQHTCJQNB-UHFFFAOYSA-N 1 2 337.467 3.558 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000345467002 1020279990 /nfs/dbraw/zinc/27/99/90/1020279990.db2.gz RCZFDJDWHVEUGP-WBVHZDCISA-N 1 2 329.488 3.752 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCCc3occc3C2)C2CC2)cc1 ZINC000581019079 1020361313 /nfs/dbraw/zinc/36/13/13/1020361313.db2.gz DUDSMJBUFLZTFB-OAQYLSRUSA-N 1 2 338.451 3.604 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCCc3occc3C2)C2CC2)cc1 ZINC000581019079 1020361327 /nfs/dbraw/zinc/36/13/27/1020361327.db2.gz DUDSMJBUFLZTFB-OAQYLSRUSA-N 1 2 338.451 3.604 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000340838077 1020381081 /nfs/dbraw/zinc/38/10/81/1020381081.db2.gz BOLHUKQAPRRHHQ-UHFFFAOYSA-N 1 2 346.500 3.655 20 0 EHADLO [NH3+][C@@H](C(=O)N1CCC(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000581185077 1020506843 /nfs/dbraw/zinc/50/68/43/1020506843.db2.gz KNBRALGAUMSPAU-GOSISDBHSA-N 1 2 348.368 3.510 20 0 EHADLO C/C(=C/c1ccc(C)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000588400636 1020513502 /nfs/dbraw/zinc/51/35/02/1020513502.db2.gz GIRBGEZMJGOFQP-VZWFDDOASA-N 1 2 349.478 3.699 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1OCC(C)C ZINC000093841145 1032909047 /nfs/dbraw/zinc/90/90/47/1032909047.db2.gz UETCBVKUDDDEAG-HXUWFJFHSA-N 1 2 345.439 3.897 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1OCC(C)C ZINC000093841145 1032909057 /nfs/dbraw/zinc/90/90/57/1032909057.db2.gz UETCBVKUDDDEAG-HXUWFJFHSA-N 1 2 345.439 3.897 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccoc2Cl)c1)[NH+]1CCOCC1 ZINC000345868854 1020580621 /nfs/dbraw/zinc/58/06/21/1020580621.db2.gz GGHBXUOFXGBWFP-GFCCVEGCSA-N 1 2 334.803 3.579 20 0 EHADLO CC(C)Cn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000340918276 1020607246 /nfs/dbraw/zinc/60/72/46/1020607246.db2.gz QVMCAUITKYAESG-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO CC(C)Cn1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000340918276 1020607256 /nfs/dbraw/zinc/60/72/56/1020607256.db2.gz QVMCAUITKYAESG-UHFFFAOYSA-N 1 2 346.906 3.510 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000345944533 1020610331 /nfs/dbraw/zinc/61/03/31/1020610331.db2.gz INRYQPKXSPTWTJ-NUJGCVRESA-N 1 2 343.496 3.782 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000345952437 1020626914 /nfs/dbraw/zinc/62/69/14/1020626914.db2.gz LOAIZYWOAKKZRE-HYVNUMGLSA-N 1 2 341.480 3.572 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000345957616 1020630488 /nfs/dbraw/zinc/63/04/88/1020630488.db2.gz CAFZGGSADNZOPW-DOMZBBRYSA-N 1 2 337.876 3.640 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cc(Cl)cs2)C[C@H]1n1cc[nH+]c1 ZINC000345957625 1020630519 /nfs/dbraw/zinc/63/05/19/1020630519.db2.gz CAFZGGSADNZOPW-SWLSCSKDSA-N 1 2 337.876 3.640 20 0 EHADLO CSCC1(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000593416985 1032919071 /nfs/dbraw/zinc/91/90/71/1032919071.db2.gz HTFNOJNPTOTVHG-UHFFFAOYSA-N 1 2 339.530 3.601 20 0 EHADLO CCC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000510381463 1020662363 /nfs/dbraw/zinc/66/23/63/1020662363.db2.gz XLNRTKLQEBJNDE-GOSISDBHSA-N 1 2 337.467 3.778 20 0 EHADLO Cc1cc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000340951349 1020669405 /nfs/dbraw/zinc/66/94/05/1020669405.db2.gz OBVVIUQQEPYJPP-DOTOQJQBSA-N 1 2 329.831 3.680 20 0 EHADLO Cc1cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)no1 ZINC000656489659 1020716813 /nfs/dbraw/zinc/71/68/13/1020716813.db2.gz FYFCMXXGWFFXMS-UHFFFAOYSA-N 1 2 337.427 3.646 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cccc(COC)c1)[C@@H](C)c1ccccc1 ZINC000537467234 1032925032 /nfs/dbraw/zinc/92/50/32/1032925032.db2.gz ODECVVWVSSKFRA-KRWDZBQOSA-N 1 2 341.451 3.959 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cccc(COC)c1)[C@@H](C)c1ccccc1 ZINC000537467234 1032925044 /nfs/dbraw/zinc/92/50/44/1032925044.db2.gz ODECVVWVSSKFRA-KRWDZBQOSA-N 1 2 341.451 3.959 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000656507304 1020768274 /nfs/dbraw/zinc/76/82/74/1020768274.db2.gz DYSHGLJXPHNSRA-UHFFFAOYSA-N 1 2 335.732 3.836 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069393771 1020776817 /nfs/dbraw/zinc/77/68/17/1020776817.db2.gz LVTATAGQBXHNOV-HNAYVOBHSA-N 1 2 349.434 3.838 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1 ZINC000069389735 1020777314 /nfs/dbraw/zinc/77/73/14/1020777314.db2.gz CWHCMQOAHHVWEA-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760434496 1032951864 /nfs/dbraw/zinc/95/18/64/1032951864.db2.gz XUPUOXZNJHINNQ-DOTOQJQBSA-N 1 2 335.492 3.542 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000341192239 1021070905 /nfs/dbraw/zinc/07/09/05/1021070905.db2.gz ZUYMYMWMUFYSIS-HZPDHXFCSA-N 1 2 326.444 3.592 20 0 EHADLO CO[C@H](CNc1ccccc1C[NH+]1CCOCC1)C1CCCCC1 ZINC000656642595 1021076130 /nfs/dbraw/zinc/07/61/30/1021076130.db2.gz NPSUSGUZNWJXBR-HXUWFJFHSA-N 1 2 332.488 3.526 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(O)c1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647733 1032953364 /nfs/dbraw/zinc/95/33/64/1032953364.db2.gz QSAMOKHMHVDJDO-STQMWFEESA-N 1 2 344.842 3.502 20 0 EHADLO O=C(c1ccc2cc[nH]c2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341233366 1021141898 /nfs/dbraw/zinc/14/18/98/1021141898.db2.gz AVHDQSGLPIQUDH-UHFFFAOYSA-N 1 2 336.439 3.697 20 0 EHADLO C[C@H]1CC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H](C)C1 ZINC000341245515 1021173589 /nfs/dbraw/zinc/17/35/89/1021173589.db2.gz CFYGULYTDTYJJV-IAGOWNOFSA-N 1 2 331.504 3.974 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnccn2)ccc1Br ZINC000573211019 1021174100 /nfs/dbraw/zinc/17/41/00/1021174100.db2.gz ZDOLJRSXSNFYEV-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnccn2)ccc1Br ZINC000573211019 1021174106 /nfs/dbraw/zinc/17/41/06/1021174106.db2.gz ZDOLJRSXSNFYEV-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1cc(F)ccc1F ZINC000051119468 1021184253 /nfs/dbraw/zinc/18/42/53/1021184253.db2.gz HHFVUILNTMFHLV-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1cc(F)ccc1F ZINC000051119468 1021184260 /nfs/dbraw/zinc/18/42/60/1021184260.db2.gz HHFVUILNTMFHLV-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO O=C(NC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000366651276 1021204421 /nfs/dbraw/zinc/20/44/21/1021204421.db2.gz HYMUSUNKXYKFLU-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)ccc2[nH+]1 ZINC000276410472 1021220253 /nfs/dbraw/zinc/22/02/53/1021220253.db2.gz WJBJZABPIMPOCB-GFCCVEGCSA-N 1 2 340.349 3.837 20 0 EHADLO Fc1ccc2nc(C[NH2+]CCc3ccc4cn[nH]c4c3)sc2c1 ZINC000341269324 1021247595 /nfs/dbraw/zinc/24/75/95/1021247595.db2.gz NQBDNDLLUHZPAQ-UHFFFAOYSA-N 1 2 326.400 3.644 20 0 EHADLO Cn1ncc(C2CC2)c1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000656773098 1021317073 /nfs/dbraw/zinc/31/70/73/1021317073.db2.gz QLRQUZIPCHWPIM-UHFFFAOYSA-N 1 2 346.232 3.548 20 0 EHADLO Cn1ncc(C2CC2)c1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000656773098 1021317086 /nfs/dbraw/zinc/31/70/86/1021317086.db2.gz QLRQUZIPCHWPIM-UHFFFAOYSA-N 1 2 346.232 3.548 20 0 EHADLO COCCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000507530290 1021336624 /nfs/dbraw/zinc/33/66/24/1021336624.db2.gz LACCSPZAQVAHAZ-UHFFFAOYSA-N 1 2 346.515 3.517 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c2ccccc2O1 ZINC000296382301 1021338038 /nfs/dbraw/zinc/33/80/38/1021338038.db2.gz JREALFDDNOWRQK-QBIMZIAESA-N 1 2 326.444 3.928 20 0 EHADLO CC(C)NC(=O)[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664589100 1021339157 /nfs/dbraw/zinc/33/91/57/1021339157.db2.gz WSBNQFXPQPATOT-ZDUSSCGKSA-N 1 2 331.847 3.629 20 0 EHADLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000341298056 1021375855 /nfs/dbraw/zinc/37/58/55/1021375855.db2.gz CUPCTKSIKZGGPE-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO C[C@H]1CCCC[C@@H]1CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000516387962 1021379608 /nfs/dbraw/zinc/37/96/08/1021379608.db2.gz LMUXEFIANSATNR-PKOBYXMFSA-N 1 2 339.483 3.807 20 0 EHADLO Cn1c[nH+]c(CCNc2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000313465824 1021386599 /nfs/dbraw/zinc/38/65/99/1021386599.db2.gz BXBTWFUNPHZHJW-UHFFFAOYSA-N 1 2 326.347 3.703 20 0 EHADLO Cc1cccc(COC(=O)C[C@H](C)n2cc[nH+]c2)c1Br ZINC000909412259 1021457166 /nfs/dbraw/zinc/45/71/66/1021457166.db2.gz KOGZTSFQUOFQKG-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO O=C(NCC(F)(F)F)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425672913 1021458884 /nfs/dbraw/zinc/45/88/84/1021458884.db2.gz MBXATEMPXSTKJI-UHFFFAOYSA-N 1 2 338.333 3.570 20 0 EHADLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2ccccn2)CC1 ZINC000139489230 1032983027 /nfs/dbraw/zinc/98/30/27/1032983027.db2.gz OFIYKAKIRQPQHJ-CQSZACIVSA-N 1 2 346.272 3.727 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@H](C)c2cccs2)c1C ZINC000139510779 1032985688 /nfs/dbraw/zinc/98/56/88/1032985688.db2.gz QNSAOIAXSKLVBP-CYBMUJFWSA-N 1 2 348.468 3.745 20 0 EHADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@H](C)c2cccs2)c1C ZINC000139510779 1032985702 /nfs/dbraw/zinc/98/57/02/1032985702.db2.gz QNSAOIAXSKLVBP-CYBMUJFWSA-N 1 2 348.468 3.745 20 0 EHADLO CCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1ccccc1Cl ZINC000341350769 1021504152 /nfs/dbraw/zinc/50/41/52/1021504152.db2.gz JJUGWUNBVQAWBT-UHFFFAOYSA-N 1 2 329.835 3.742 20 0 EHADLO CC(C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000516518029 1021508466 /nfs/dbraw/zinc/50/84/66/1021508466.db2.gz CRBXHBFFRPDBCF-IBGZPJMESA-N 1 2 339.483 3.901 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)c1cncnc1)CCO2 ZINC000437056300 1021511848 /nfs/dbraw/zinc/51/18/48/1021511848.db2.gz QCCOXQYSJYMNRA-QUCCMNQESA-N 1 2 335.382 3.819 20 0 EHADLO CCCc1csc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)n1 ZINC000426412570 1021524927 /nfs/dbraw/zinc/52/49/27/1021524927.db2.gz UJKXEWFEYRJCLG-UHFFFAOYSA-N 1 2 349.544 3.757 20 0 EHADLO Clc1cc2c(s1)CC[N@H+](Cc1c[nH]nc1-c1cccnc1)C2 ZINC000518772231 1021529386 /nfs/dbraw/zinc/52/93/86/1021529386.db2.gz CZPJYFHEIPXODV-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO Clc1cc2c(s1)CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C2 ZINC000518772231 1021529403 /nfs/dbraw/zinc/52/94/03/1021529403.db2.gz CZPJYFHEIPXODV-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO C[C@H]1CCCN(c2cc(NC3CCC4(CCOCC4)CC3)[nH+]cn2)C1 ZINC000439614133 1021593198 /nfs/dbraw/zinc/59/31/98/1021593198.db2.gz OTDFHAPRRBAFJB-INIZCTEOSA-N 1 2 344.503 3.864 20 0 EHADLO C[C@H]1CCCN(c2cc(NC3CCC4(CCOCC4)CC3)nc[nH+]2)C1 ZINC000439614133 1021593208 /nfs/dbraw/zinc/59/32/08/1021593208.db2.gz OTDFHAPRRBAFJB-INIZCTEOSA-N 1 2 344.503 3.864 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(C)c[nH+]1 ZINC000518864332 1021628875 /nfs/dbraw/zinc/62/88/75/1021628875.db2.gz CVPUYRSDSWZKAI-ZDUSSCGKSA-N 1 2 329.366 3.563 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)n1cc[nH+]c1 ZINC000581729457 1021634254 /nfs/dbraw/zinc/63/42/54/1021634254.db2.gz YGXQAYUXMWDDNO-QMTHXVAHSA-N 1 2 338.238 3.945 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000933396257 1021652174 /nfs/dbraw/zinc/65/21/74/1021652174.db2.gz SDAUTNNYPNMLNW-CYBMUJFWSA-N 1 2 347.846 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000933396257 1021652178 /nfs/dbraw/zinc/65/21/78/1021652178.db2.gz SDAUTNNYPNMLNW-CYBMUJFWSA-N 1 2 347.846 3.516 20 0 EHADLO CC(C)SCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000519741861 1021652918 /nfs/dbraw/zinc/65/29/18/1021652918.db2.gz SLWZWSJOVQZNES-UHFFFAOYSA-N 1 2 329.469 3.967 20 0 EHADLO Cc1cc(N2CCN(C(=O)C(C)(C)CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000439705216 1021664113 /nfs/dbraw/zinc/66/41/13/1021664113.db2.gz LYIKSFNYXPEYHO-UHFFFAOYSA-N 1 2 346.519 3.629 20 0 EHADLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000519760761 1021675861 /nfs/dbraw/zinc/67/58/61/1021675861.db2.gz BZKVIHVNLRDENP-VXGBXAGGSA-N 1 2 345.270 3.820 20 0 EHADLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000519760761 1021675864 /nfs/dbraw/zinc/67/58/64/1021675864.db2.gz BZKVIHVNLRDENP-VXGBXAGGSA-N 1 2 345.270 3.820 20 0 EHADLO Brc1cccc2c1C[N@H+](Cc1ccc3c(c1)NCC3)C2 ZINC000713238187 1021709650 /nfs/dbraw/zinc/70/96/50/1021709650.db2.gz BNLGEUMLKBQEQE-UHFFFAOYSA-N 1 2 329.241 3.933 20 0 EHADLO Brc1cccc2c1C[N@@H+](Cc1ccc3c(c1)NCC3)C2 ZINC000713238187 1021709667 /nfs/dbraw/zinc/70/96/67/1021709667.db2.gz BNLGEUMLKBQEQE-UHFFFAOYSA-N 1 2 329.241 3.933 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000439795968 1021720470 /nfs/dbraw/zinc/72/04/70/1021720470.db2.gz VYFAZLNENIEHKU-QYZOEREBSA-N 1 2 337.467 3.549 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437367241 1021761124 /nfs/dbraw/zinc/76/11/24/1021761124.db2.gz WEDZKJYJHITSGD-ZWKOTPCHSA-N 1 2 337.810 3.812 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000593696361 1033007389 /nfs/dbraw/zinc/00/73/89/1033007389.db2.gz DNEIPYSFRMDYKV-AWEZNQCLSA-N 1 2 349.500 3.701 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000593696361 1033007402 /nfs/dbraw/zinc/00/74/02/1033007402.db2.gz DNEIPYSFRMDYKV-AWEZNQCLSA-N 1 2 349.500 3.701 20 0 EHADLO Cn1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000426522972 1021788608 /nfs/dbraw/zinc/78/86/08/1021788608.db2.gz LORJQWYRZPIYSR-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO Cn1cc(C[N@H+]2CCOc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000426522972 1021788620 /nfs/dbraw/zinc/78/86/20/1021788620.db2.gz LORJQWYRZPIYSR-UHFFFAOYSA-N 1 2 337.398 3.621 20 0 EHADLO CCCc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000506046255 1021812310 /nfs/dbraw/zinc/81/23/10/1021812310.db2.gz SXFJOHZMTAIMPI-UHFFFAOYSA-N 1 2 328.481 3.659 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593685919 1033008124 /nfs/dbraw/zinc/00/81/24/1033008124.db2.gz BWPHGVJXGDDMGD-DLBZAZTESA-N 1 2 341.455 3.563 20 0 EHADLO COCC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)Cc1ccnn1C ZINC000426532176 1021816312 /nfs/dbraw/zinc/81/63/12/1021816312.db2.gz VKFCYVKGODDBCS-UHFFFAOYSA-N 1 2 339.439 3.637 20 0 EHADLO COCC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)Cc1ccnn1C ZINC000426532176 1021816322 /nfs/dbraw/zinc/81/63/22/1021816322.db2.gz VKFCYVKGODDBCS-UHFFFAOYSA-N 1 2 339.439 3.637 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000172915172 1033008256 /nfs/dbraw/zinc/00/82/56/1033008256.db2.gz LYOXCNAFVVSOKE-CQSZACIVSA-N 1 2 335.498 3.595 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000172915172 1033008273 /nfs/dbraw/zinc/00/82/73/1033008273.db2.gz LYOXCNAFVVSOKE-CQSZACIVSA-N 1 2 335.498 3.595 20 0 EHADLO COCC[N@H+](Cc1cccn1CCC(C)C)Cc1scnc1C ZINC000426558696 1021919381 /nfs/dbraw/zinc/91/93/81/1021919381.db2.gz KHHYKBZACRPUQE-UHFFFAOYSA-N 1 2 335.517 3.948 20 0 EHADLO COCC[N@@H+](Cc1cccn1CCC(C)C)Cc1scnc1C ZINC000426558696 1021919391 /nfs/dbraw/zinc/91/93/91/1021919391.db2.gz KHHYKBZACRPUQE-UHFFFAOYSA-N 1 2 335.517 3.948 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000897624861 1033015911 /nfs/dbraw/zinc/01/59/11/1033015911.db2.gz AUPUYASHVLTHOR-HNNXBMFYSA-N 1 2 325.412 3.815 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cnc(Br)s3)CCC2)n1 ZINC000290090358 1021929048 /nfs/dbraw/zinc/92/90/48/1021929048.db2.gz RGQQZMAEVROVNO-UHFFFAOYSA-N 1 2 344.303 3.840 20 0 EHADLO Cc1cc(NCc2cccc(NC(=O)CC(C)C)c2)nc(C2CC2)[nH+]1 ZINC000341448028 1021936246 /nfs/dbraw/zinc/93/62/46/1021936246.db2.gz DDUARERPFJYIFT-UHFFFAOYSA-N 1 2 338.455 3.681 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673898 1033016932 /nfs/dbraw/zinc/01/69/32/1033016932.db2.gz QXNKZUYDRANBPT-CABZTGNLSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000449673898 1033016950 /nfs/dbraw/zinc/01/69/50/1033016950.db2.gz QXNKZUYDRANBPT-CABZTGNLSA-N 1 2 348.415 3.617 20 0 EHADLO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000519231015 1021948161 /nfs/dbraw/zinc/94/81/61/1021948161.db2.gz YSVUWHFIQPEDDN-NSHDSACASA-N 1 2 345.834 3.709 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(C2CCCC2)n1 ZINC000891562144 1021950514 /nfs/dbraw/zinc/95/05/14/1021950514.db2.gz IYUYILXGGBAHDT-IBGZPJMESA-N 1 2 325.456 3.651 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(C2CCCC2)n1 ZINC000891562144 1021950522 /nfs/dbraw/zinc/95/05/22/1021950522.db2.gz IYUYILXGGBAHDT-IBGZPJMESA-N 1 2 325.456 3.651 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C2 ZINC000441063347 1021950977 /nfs/dbraw/zinc/95/09/77/1021950977.db2.gz GSDHOQXZQSQWBU-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C2 ZINC000441063347 1021950989 /nfs/dbraw/zinc/95/09/89/1021950989.db2.gz GSDHOQXZQSQWBU-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c2nccn21 ZINC000517072982 1021983005 /nfs/dbraw/zinc/98/30/05/1021983005.db2.gz CZUMVAYBGPCCCN-VCTAVGKDSA-N 1 2 340.254 3.909 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441124824 1021998906 /nfs/dbraw/zinc/99/89/06/1021998906.db2.gz OECSONQDLXRQIA-HUUCEWRRSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@@H](SC)C1 ZINC000441124824 1021998913 /nfs/dbraw/zinc/99/89/13/1021998913.db2.gz OECSONQDLXRQIA-HUUCEWRRSA-N 1 2 327.877 3.772 20 0 EHADLO Cc1cc(NCCOc2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH+]1 ZINC000341493409 1022029891 /nfs/dbraw/zinc/02/98/91/1022029891.db2.gz WVDBLPKQOMQVCT-UHFFFAOYSA-N 1 2 337.345 3.594 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)ccn1 ZINC000925023438 1022060940 /nfs/dbraw/zinc/06/09/40/1022060940.db2.gz MSYJVTKCBXCYDC-CVEARBPZSA-N 1 2 345.491 3.918 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441263015 1022109919 /nfs/dbraw/zinc/10/99/19/1022109919.db2.gz OYUFTVSKFMXOGE-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441263015 1022109926 /nfs/dbraw/zinc/10/99/26/1022109926.db2.gz OYUFTVSKFMXOGE-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](COC)c1ccc(C)o1)CCO2 ZINC000156414218 1022155086 /nfs/dbraw/zinc/15/50/86/1022155086.db2.gz XGXOWWWGIKWQHZ-DLBZAZTESA-N 1 2 331.412 3.788 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323383 1022196748 /nfs/dbraw/zinc/19/67/48/1022196748.db2.gz JZFVZFVRRJUWCH-MFKMUULPSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323383 1022196755 /nfs/dbraw/zinc/19/67/55/1022196755.db2.gz JZFVZFVRRJUWCH-MFKMUULPSA-N 1 2 343.324 3.897 20 0 EHADLO CC(=O)c1cc(F)ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000607988181 1022231853 /nfs/dbraw/zinc/23/18/53/1022231853.db2.gz FWRWPVRZGPLESG-YVMONPNESA-N 1 2 338.426 3.864 20 0 EHADLO COc1nccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1F ZINC000894913555 1022239587 /nfs/dbraw/zinc/23/95/87/1022239587.db2.gz QFHVBKPJMCWTFA-SFHVURJKSA-N 1 2 342.414 3.583 20 0 EHADLO COc1nccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1F ZINC000894913555 1022239596 /nfs/dbraw/zinc/23/95/96/1022239596.db2.gz QFHVBKPJMCWTFA-SFHVURJKSA-N 1 2 342.414 3.583 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000894428558 1022271115 /nfs/dbraw/zinc/27/11/15/1022271115.db2.gz YATXWECWYXGEFX-UHFFFAOYSA-N 1 2 345.187 3.876 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)[nH]c1C ZINC000628134330 1022277787 /nfs/dbraw/zinc/27/77/87/1022277787.db2.gz MDCHXACQTOCDIV-HNNXBMFYSA-N 1 2 332.879 3.559 20 0 EHADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(C)nc3c2CCCC3)n1 ZINC000894435348 1022282014 /nfs/dbraw/zinc/28/20/14/1022282014.db2.gz CJBRXRDHVLXAEN-GOSISDBHSA-N 1 2 326.444 3.687 20 0 EHADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(C)nc3c2CCCC3)n1 ZINC000894435348 1022282028 /nfs/dbraw/zinc/28/20/28/1022282028.db2.gz CJBRXRDHVLXAEN-GOSISDBHSA-N 1 2 326.444 3.687 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cnc3nccnc3c2)cc[nH+]1 ZINC001213208029 1022294758 /nfs/dbraw/zinc/29/47/58/1022294758.db2.gz SFHPQYQSVFNMGY-UHFFFAOYSA-N 1 2 338.371 3.510 20 0 EHADLO COc1c(F)cc(F)cc1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001143568319 1022309810 /nfs/dbraw/zinc/30/98/10/1022309810.db2.gz SSBSAAXHXZOGSX-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000112743874 1022327459 /nfs/dbraw/zinc/32/74/59/1022327459.db2.gz KFAOBCPGJMMOAV-IBGZPJMESA-N 1 2 340.471 3.922 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000425941197 1022328014 /nfs/dbraw/zinc/32/80/14/1022328014.db2.gz BMERQEPBVNPQOS-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000425941197 1022328031 /nfs/dbraw/zinc/32/80/31/1022328031.db2.gz BMERQEPBVNPQOS-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO CC(C)CN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000458874527 1022333127 /nfs/dbraw/zinc/33/31/27/1022333127.db2.gz DHCBQNMPUMKFHY-UHFFFAOYSA-N 1 2 346.862 3.856 20 0 EHADLO CCc1cc(N2CC[C@@H](c3ccc4cccnc4n3)C2)nc(CC)[nH+]1 ZINC000895001121 1022361182 /nfs/dbraw/zinc/36/11/82/1022361182.db2.gz XSACXTAFVGCFQD-OAHLLOKOSA-N 1 2 333.439 3.539 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)Oc3cccc(C)c3)ccc2[nH+]1 ZINC000438114074 1022398993 /nfs/dbraw/zinc/39/89/93/1022398993.db2.gz HKZICLMVRPJUBS-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000276719608 1022405810 /nfs/dbraw/zinc/40/58/10/1022405810.db2.gz FEKCKBMCRQAJAG-MRXNPFEDSA-N 1 2 349.438 3.512 20 0 EHADLO c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000276719608 1022405817 /nfs/dbraw/zinc/40/58/17/1022405817.db2.gz FEKCKBMCRQAJAG-MRXNPFEDSA-N 1 2 349.438 3.512 20 0 EHADLO CCO[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C12CCCC2 ZINC000438135897 1022413103 /nfs/dbraw/zinc/41/31/03/1022413103.db2.gz LISFWIIQCGFLMH-CVEARBPZSA-N 1 2 342.443 3.502 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001141561654 1022419986 /nfs/dbraw/zinc/41/99/86/1022419986.db2.gz QCHVQIWJHGTVAN-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001141561654 1022419989 /nfs/dbraw/zinc/41/99/89/1022419989.db2.gz QCHVQIWJHGTVAN-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)o1 ZINC000328677259 1022463865 /nfs/dbraw/zinc/46/38/65/1022463865.db2.gz ALTUMOSTGGTRLP-BZNIZROVSA-N 1 2 326.400 3.536 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)n1C ZINC000341596396 1022493368 /nfs/dbraw/zinc/49/33/68/1022493368.db2.gz WFTXDMCQXUVBDY-HNNXBMFYSA-N 1 2 336.439 3.553 20 0 EHADLO CCCC[C@H](CC)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000303584074 1022495375 /nfs/dbraw/zinc/49/53/75/1022495375.db2.gz FQGANGWDYIGMLH-MSOLQXFVSA-N 1 2 346.519 3.686 20 0 EHADLO CCCOc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000101550720 1022518518 /nfs/dbraw/zinc/51/85/18/1022518518.db2.gz FRYKALGVCCBUNH-UHFFFAOYSA-N 1 2 345.443 3.605 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cnnn2-c2ccccc2)cs1 ZINC000925031474 1022575573 /nfs/dbraw/zinc/57/55/73/1022575573.db2.gz AQCZRNDMYRKWMJ-OLZOCXBDSA-N 1 2 327.457 3.698 20 0 EHADLO CCC[N@H+](Cc1[nH]nc(C)c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000894589394 1022579293 /nfs/dbraw/zinc/57/92/93/1022579293.db2.gz QLDRGGLMEPZUHK-INIZCTEOSA-N 1 2 328.460 3.574 20 0 EHADLO CCC[N@@H+](Cc1[nH]nc(C)c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000894589394 1022579299 /nfs/dbraw/zinc/57/92/99/1022579299.db2.gz QLDRGGLMEPZUHK-INIZCTEOSA-N 1 2 328.460 3.574 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC000438353253 1022602144 /nfs/dbraw/zinc/60/21/44/1022602144.db2.gz BALQPTIVPCWLBG-UHFFFAOYSA-N 1 2 342.443 3.643 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCc2ncsc2C1 ZINC000438353253 1022602156 /nfs/dbraw/zinc/60/21/56/1022602156.db2.gz BALQPTIVPCWLBG-UHFFFAOYSA-N 1 2 342.443 3.643 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)o1 ZINC000894600026 1022610645 /nfs/dbraw/zinc/61/06/45/1022610645.db2.gz XZOWVWDUZGOVFU-UHFFFAOYSA-N 1 2 343.452 3.967 20 0 EHADLO CSCc1cnc(C[NH2+]Cc2c(F)cccc2-n2cccn2)s1 ZINC000449688095 1033068608 /nfs/dbraw/zinc/06/86/08/1033068608.db2.gz FKVVHQCWRBNCIY-UHFFFAOYSA-N 1 2 348.472 3.621 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835032 1022642687 /nfs/dbraw/zinc/64/26/87/1022642687.db2.gz CKDHPCIKOYTUFX-HPFXQQBRSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835032 1022642682 /nfs/dbraw/zinc/64/26/82/1022642682.db2.gz CKDHPCIKOYTUFX-HPFXQQBRSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835035 1022643062 /nfs/dbraw/zinc/64/30/62/1022643062.db2.gz CKDHPCIKOYTUFX-YFHUEUNASA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835035 1022643070 /nfs/dbraw/zinc/64/30/70/1022643070.db2.gz CKDHPCIKOYTUFX-YFHUEUNASA-N 1 2 329.488 3.643 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000054546617 1033070055 /nfs/dbraw/zinc/07/00/55/1033070055.db2.gz QMTOEUHKRSDIAR-MRXNPFEDSA-N 1 2 342.443 3.669 20 0 EHADLO Fc1cccc(C[C@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000054546617 1033070076 /nfs/dbraw/zinc/07/00/76/1033070076.db2.gz QMTOEUHKRSDIAR-MRXNPFEDSA-N 1 2 342.443 3.669 20 0 EHADLO C/C(=C/c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665005181 1022657164 /nfs/dbraw/zinc/65/71/64/1022657164.db2.gz LJJGYODPZPVACN-QAEGFZEYSA-N 1 2 339.439 3.845 20 0 EHADLO C/C(=C/c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)C1CC1 ZINC000665005181 1022657170 /nfs/dbraw/zinc/65/71/70/1022657170.db2.gz LJJGYODPZPVACN-QAEGFZEYSA-N 1 2 339.439 3.845 20 0 EHADLO CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665009700 1022688737 /nfs/dbraw/zinc/68/87/37/1022688737.db2.gz QITMJRCDIFUWGE-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665009700 1022688746 /nfs/dbraw/zinc/68/87/46/1022688746.db2.gz QITMJRCDIFUWGE-WBVHZDCISA-N 1 2 341.455 3.863 20 0 EHADLO CCc1occc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000430802247 1022695465 /nfs/dbraw/zinc/69/54/65/1022695465.db2.gz KUBHKBBYDIWPGB-SFHVURJKSA-N 1 2 337.423 3.827 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)C3(C)CC3)cn2c1 ZINC000438468870 1022696932 /nfs/dbraw/zinc/69/69/32/1022696932.db2.gz YQWGVPUEUFJOFI-AWEZNQCLSA-N 1 2 331.485 3.523 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000438478560 1022701059 /nfs/dbraw/zinc/70/10/59/1022701059.db2.gz MVNNEXMPMSXSJU-OAHLLOKOSA-N 1 2 348.450 3.744 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121753788 1022723078 /nfs/dbraw/zinc/72/30/78/1022723078.db2.gz AZULKQVDHZCEJB-UHFFFAOYSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1cc(N2CCN(C(=O)C3CCCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000101853144 1022744415 /nfs/dbraw/zinc/74/44/15/1022744415.db2.gz IQEUGRBQCVPTJD-UHFFFAOYSA-N 1 2 344.503 3.527 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476259450 1033078601 /nfs/dbraw/zinc/07/86/01/1033078601.db2.gz XOJGDGVOSMTOAN-WRFANHODSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476259450 1033078610 /nfs/dbraw/zinc/07/86/10/1033078610.db2.gz XOJGDGVOSMTOAN-WRFANHODSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476259447 1033078852 /nfs/dbraw/zinc/07/88/52/1033078852.db2.gz XOJGDGVOSMTOAN-MGBSGCIJSA-N 1 2 338.854 3.633 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476259447 1033078855 /nfs/dbraw/zinc/07/88/55/1033078855.db2.gz XOJGDGVOSMTOAN-MGBSGCIJSA-N 1 2 338.854 3.633 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1c(F)cc(F)cc1F ZINC000438546503 1022773943 /nfs/dbraw/zinc/77/39/43/1022773943.db2.gz MVCDSKLHPJVYJZ-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO CC[C@@H](C)[C@H](OC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345986854 1022796645 /nfs/dbraw/zinc/79/66/45/1022796645.db2.gz SAIYAYCUDCBZRP-CJNGLKHVSA-N 1 2 326.400 3.715 20 0 EHADLO CCc1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(C)o1 ZINC000346010839 1022808935 /nfs/dbraw/zinc/80/89/35/1022808935.db2.gz GYEHNHRSKNRYHG-UHFFFAOYSA-N 1 2 335.367 3.507 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000458945282 1022811946 /nfs/dbraw/zinc/81/19/46/1022811946.db2.gz QNAIRNPDCSGLSC-HZPDHXFCSA-N 1 2 332.492 3.577 20 0 EHADLO CC[C@@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000458945280 1022812538 /nfs/dbraw/zinc/81/25/38/1022812538.db2.gz QNAIRNPDCSGLSC-CVEARBPZSA-N 1 2 332.492 3.577 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1C ZINC000430874911 1022817849 /nfs/dbraw/zinc/81/78/49/1022817849.db2.gz JGMXJSYOCCSATR-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1C ZINC000430874911 1022817861 /nfs/dbraw/zinc/81/78/61/1022817861.db2.gz JGMXJSYOCCSATR-KRWDZBQOSA-N 1 2 343.471 3.956 20 0 EHADLO CN(C)C(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001211855626 1022829980 /nfs/dbraw/zinc/82/99/80/1022829980.db2.gz AAKRQBMQLOHGEI-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000430899039 1022847856 /nfs/dbraw/zinc/84/78/56/1022847856.db2.gz GIJGCXZMUKUDSM-INIZCTEOSA-N 1 2 340.471 3.819 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894775970 1022873405 /nfs/dbraw/zinc/87/34/05/1022873405.db2.gz BPLDKZQTDKLGQJ-AWEZNQCLSA-N 1 2 336.439 3.948 20 0 EHADLO c1cn(Cc2cccc(-c3noc(C4Cc5ccccc5C4)n3)c2)c[nH+]1 ZINC000345987610 1022886951 /nfs/dbraw/zinc/88/69/51/1022886951.db2.gz SNLUSGLOSULXQR-UHFFFAOYSA-N 1 2 342.402 3.864 20 0 EHADLO CCc1nc(C)c(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000341660305 1022889096 /nfs/dbraw/zinc/88/90/96/1022889096.db2.gz XGUINLJWYPOBAP-UHFFFAOYSA-N 1 2 326.425 3.760 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458602 1022896955 /nfs/dbraw/zinc/89/69/55/1022896955.db2.gz JQFKQMGFRQUMAF-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1)c1cccc2ccccc21 ZINC000520458602 1022896973 /nfs/dbraw/zinc/89/69/73/1022896973.db2.gz JQFKQMGFRQUMAF-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000426110428 1022914874 /nfs/dbraw/zinc/91/48/74/1022914874.db2.gz CVZBIOQPKKQPCP-FOWTUZBSSA-N 1 2 334.423 3.579 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1 ZINC000188948209 1022923261 /nfs/dbraw/zinc/92/32/61/1022923261.db2.gz IVGWNDAKBBLTBO-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1 ZINC000188948209 1022923273 /nfs/dbraw/zinc/92/32/73/1022923273.db2.gz IVGWNDAKBBLTBO-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1nc3cccnc3s1)C2 ZINC000341675181 1022956887 /nfs/dbraw/zinc/95/68/87/1022956887.db2.gz JNMCZVYLHWLJKE-UHFFFAOYSA-N 1 2 325.437 3.648 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1nc3cccnc3s1)C2 ZINC000341675181 1022956898 /nfs/dbraw/zinc/95/68/98/1022956898.db2.gz JNMCZVYLHWLJKE-UHFFFAOYSA-N 1 2 325.437 3.648 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCCCc1ccccc1)c1ccco1 ZINC000189267617 1022987024 /nfs/dbraw/zinc/98/70/24/1022987024.db2.gz USONOKIKQSWUPK-GOSISDBHSA-N 1 2 327.424 3.576 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCCCc1ccccc1)c1ccco1 ZINC000189267617 1022987036 /nfs/dbraw/zinc/98/70/36/1022987036.db2.gz USONOKIKQSWUPK-GOSISDBHSA-N 1 2 327.424 3.576 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1nc2cccnc2s1)c1cccs1 ZINC000341681840 1022993511 /nfs/dbraw/zinc/99/35/11/1022993511.db2.gz BBVGIFSHYJOOBO-GFCCVEGCSA-N 1 2 343.477 3.990 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1nc2cccnc2s1)c1cccs1 ZINC000341681840 1022993521 /nfs/dbraw/zinc/99/35/21/1022993521.db2.gz BBVGIFSHYJOOBO-GFCCVEGCSA-N 1 2 343.477 3.990 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000430974611 1023048809 /nfs/dbraw/zinc/04/88/09/1023048809.db2.gz BMIIOPMLGXNGOS-DNVCBOLYSA-N 1 2 338.455 3.523 20 0 EHADLO CC[C@@](C)(O)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000189723630 1023095678 /nfs/dbraw/zinc/09/56/78/1023095678.db2.gz AEPPBZQKEADYSI-HXUWFJFHSA-N 1 2 343.471 3.890 20 0 EHADLO CC[C@@](C)(O)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000189723630 1023095688 /nfs/dbraw/zinc/09/56/88/1023095688.db2.gz AEPPBZQKEADYSI-HXUWFJFHSA-N 1 2 343.471 3.890 20 0 EHADLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ncnc2c1cnn2C ZINC000509583248 1023098993 /nfs/dbraw/zinc/09/89/93/1023098993.db2.gz CLPJSPUVPCUISB-CQSZACIVSA-N 1 2 336.443 3.794 20 0 EHADLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ncnc2c1cnn2C ZINC000509583248 1023099000 /nfs/dbraw/zinc/09/90/00/1023099000.db2.gz CLPJSPUVPCUISB-CQSZACIVSA-N 1 2 336.443 3.794 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129646328 1023111448 /nfs/dbraw/zinc/11/14/48/1023111448.db2.gz NLENGCUAXFTPAS-DAYGRLMNSA-N 1 2 342.443 3.706 20 0 EHADLO O=C(NCCNc1cc[nH+]c2c(Cl)cccc12)c1cccs1 ZINC000341719994 1023146764 /nfs/dbraw/zinc/14/67/64/1023146764.db2.gz FMCXBTWFUAFSRZ-UHFFFAOYSA-N 1 2 331.828 3.792 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC(F)(F)c1ccccc1 ZINC000518264641 1023175384 /nfs/dbraw/zinc/17/53/84/1023175384.db2.gz LFCGYNPCUPMSQW-CYBMUJFWSA-N 1 2 336.357 3.924 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000510800939 1023181953 /nfs/dbraw/zinc/18/19/53/1023181953.db2.gz YXOVHXSERNUGFJ-CYBMUJFWSA-N 1 2 349.390 3.856 20 0 EHADLO CC(C)c1cc(NC[C@@H](CCO)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000536390738 1023185236 /nfs/dbraw/zinc/18/52/36/1023185236.db2.gz NZWSAWTWRTWBGK-QGZVFWFLSA-N 1 2 327.472 3.723 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OC)cc2OC)[nH]1 ZINC000276842245 1023196263 /nfs/dbraw/zinc/19/62/63/1023196263.db2.gz CEXHUXFRZXICDW-XQQFMLRXSA-N 1 2 332.448 3.747 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000438991039 1023196403 /nfs/dbraw/zinc/19/64/03/1023196403.db2.gz LOEBTHDBRCMLNI-NWDGAFQWSA-N 1 2 333.457 3.830 20 0 EHADLO CCCc1noc(C[NH2+][C@H](C)c2ccc(SCCOC)cc2)n1 ZINC000341740203 1023224593 /nfs/dbraw/zinc/22/45/93/1023224593.db2.gz CZEGZUNJDKFECX-CYBMUJFWSA-N 1 2 335.473 3.611 20 0 EHADLO COc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441493871 1023230174 /nfs/dbraw/zinc/23/01/74/1023230174.db2.gz UJBLKJIXPQDIGO-HXUWFJFHSA-N 1 2 349.434 3.680 20 0 EHADLO Cc1c(Cl)cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000341745347 1023235034 /nfs/dbraw/zinc/23/50/34/1023235034.db2.gz YETWAUHNCFXXLA-SECBINFHSA-N 1 2 327.215 3.709 20 0 EHADLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(OC(F)F)c1 ZINC000439051850 1023242952 /nfs/dbraw/zinc/24/29/52/1023242952.db2.gz WQAKEFKOZAIKJF-NSHDSACASA-N 1 2 346.337 3.818 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)oc1C ZINC000431101517 1023257019 /nfs/dbraw/zinc/25/70/19/1023257019.db2.gz OXRDDRTVZPXKNV-GHMZBOCLSA-N 1 2 335.375 3.934 20 0 EHADLO C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551463 1023266627 /nfs/dbraw/zinc/26/66/27/1023266627.db2.gz HRDMERBJEONJNT-OAGGEKHMSA-N 1 2 326.444 3.621 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccoc3)no2)CC[C@@H]1C(F)(F)F ZINC000190188075 1023268426 /nfs/dbraw/zinc/26/84/26/1023268426.db2.gz PAUMAIDYEZBVPH-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccoc3)no2)CC[C@@H]1C(F)(F)F ZINC000190188075 1023268433 /nfs/dbraw/zinc/26/84/33/1023268433.db2.gz PAUMAIDYEZBVPH-NSHDSACASA-N 1 2 329.322 3.740 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cccc1 ZINC000520492295 1023283629 /nfs/dbraw/zinc/28/36/29/1023283629.db2.gz BPQQINWUXHJPAZ-HUUCEWRRSA-N 1 2 346.500 3.766 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cccc1 ZINC000520492295 1023283635 /nfs/dbraw/zinc/28/36/35/1023283635.db2.gz BPQQINWUXHJPAZ-HUUCEWRRSA-N 1 2 346.500 3.766 20 0 EHADLO O=C(c1cc(Nc2cccc3[nH+]ccn32)ccc1F)N1CCCCC1 ZINC001211866773 1023289107 /nfs/dbraw/zinc/28/91/07/1023289107.db2.gz STOLTCSQEUJGNE-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341836658 1023427962 /nfs/dbraw/zinc/42/79/62/1023427962.db2.gz RSVWAEJQGGTHMI-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341836658 1023427964 /nfs/dbraw/zinc/42/79/64/1023427964.db2.gz RSVWAEJQGGTHMI-IBGZPJMESA-N 1 2 329.465 3.736 20 0 EHADLO Cc1csc(C2([NH2+]Cc3ccc(Br)o3)CCC2)n1 ZINC000276941356 1023430775 /nfs/dbraw/zinc/43/07/75/1023430775.db2.gz GPWOWLIZYIEUHE-UHFFFAOYSA-N 1 2 327.247 3.976 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCc1noc2ccccc12 ZINC000593968858 1033132521 /nfs/dbraw/zinc/13/25/21/1033132521.db2.gz TVEREAWBOAROAL-MRXNPFEDSA-N 1 2 330.428 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCc1noc2ccccc12 ZINC000593968858 1033132528 /nfs/dbraw/zinc/13/25/28/1033132528.db2.gz TVEREAWBOAROAL-MRXNPFEDSA-N 1 2 330.428 3.567 20 0 EHADLO Cc1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000341864701 1023487846 /nfs/dbraw/zinc/48/78/46/1023487846.db2.gz BMRYNYZSNZEGBO-MRXNPFEDSA-N 1 2 325.437 3.618 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176124019 1023513531 /nfs/dbraw/zinc/51/35/31/1023513531.db2.gz CMIUJGWSTHWMLH-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176124019 1023513536 /nfs/dbraw/zinc/51/35/36/1023513536.db2.gz CMIUJGWSTHWMLH-GFCCVEGCSA-N 1 2 341.521 3.786 20 0 EHADLO Cc1nc(N2CCOc3c(Br)cccc3C2)c(C)c(C)[nH+]1 ZINC000684592380 1023593949 /nfs/dbraw/zinc/59/39/49/1023593949.db2.gz JUGHFPBOCRJYCZ-UHFFFAOYSA-N 1 2 348.244 3.563 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c(C)c[nH+]1 ZINC000535773110 1023623995 /nfs/dbraw/zinc/62/39/95/1023623995.db2.gz PDBVGWFEKMMQIW-HNNXBMFYSA-N 1 2 327.428 3.790 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)o1 ZINC000341914021 1023673287 /nfs/dbraw/zinc/67/32/87/1023673287.db2.gz KLRXZAMIPWAIGG-UHFFFAOYSA-N 1 2 328.456 3.747 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)o1 ZINC000341914021 1023673294 /nfs/dbraw/zinc/67/32/94/1023673294.db2.gz KLRXZAMIPWAIGG-UHFFFAOYSA-N 1 2 328.456 3.747 20 0 EHADLO CN(Cc1ccccc1F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341935646 1023706900 /nfs/dbraw/zinc/70/69/00/1023706900.db2.gz ZVDLYTUXWVJUOF-QGZVFWFLSA-N 1 2 337.398 3.729 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000277096140 1023758754 /nfs/dbraw/zinc/75/87/54/1023758754.db2.gz VSFOCNYPFPUFQO-GOSISDBHSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000277120462 1023778734 /nfs/dbraw/zinc/77/87/34/1023778734.db2.gz HTBHNUJNWVIEFG-OAHLLOKOSA-N 1 2 329.465 3.518 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000277120462 1023778740 /nfs/dbraw/zinc/77/87/40/1023778740.db2.gz HTBHNUJNWVIEFG-OAHLLOKOSA-N 1 2 329.465 3.518 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000342050467 1023803569 /nfs/dbraw/zinc/80/35/69/1023803569.db2.gz VQDNJRGRRHOJTA-AWEZNQCLSA-N 1 2 336.391 3.979 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)c2C1 ZINC000458263186 1023816756 /nfs/dbraw/zinc/81/67/56/1023816756.db2.gz SVIMAHHGQKETQK-SIXWZSSISA-N 1 2 349.478 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)c2C1 ZINC000458263186 1023816760 /nfs/dbraw/zinc/81/67/60/1023816760.db2.gz SVIMAHHGQKETQK-SIXWZSSISA-N 1 2 349.478 3.531 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000602793879 1033169925 /nfs/dbraw/zinc/16/99/25/1033169925.db2.gz TVKXRCIPCLAXDZ-LBPRGKRZSA-N 1 2 346.814 3.965 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000602793879 1033169932 /nfs/dbraw/zinc/16/99/32/1033169932.db2.gz TVKXRCIPCLAXDZ-LBPRGKRZSA-N 1 2 346.814 3.965 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684624132 1023895060 /nfs/dbraw/zinc/89/50/60/1023895060.db2.gz MYNIIGHSRYOIIB-SNVBAGLBSA-N 1 2 347.203 3.507 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884106 1023941481 /nfs/dbraw/zinc/94/14/81/1023941481.db2.gz AYNNJHLYEVJVSL-FUHWJXTLSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884106 1023941486 /nfs/dbraw/zinc/94/14/86/1023941486.db2.gz AYNNJHLYEVJVSL-FUHWJXTLSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000434363083 1023980257 /nfs/dbraw/zinc/98/02/57/1023980257.db2.gz OZFXAIIMBBECDW-QGZVFWFLSA-N 1 2 331.460 3.605 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)no1 ZINC000329652026 1023985404 /nfs/dbraw/zinc/98/54/04/1023985404.db2.gz KYUQGMHVCLYUES-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)no1 ZINC000329652026 1023985413 /nfs/dbraw/zinc/98/54/13/1023985413.db2.gz KYUQGMHVCLYUES-ZDUSSCGKSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000895218607 1023994548 /nfs/dbraw/zinc/99/45/48/1023994548.db2.gz SLSBMJDAMYXTJQ-VDISTLRHSA-N 1 2 338.398 3.584 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000895230136 1024004769 /nfs/dbraw/zinc/00/47/69/1024004769.db2.gz LTYZVRZETJOLBT-BQFCYCMXSA-N 1 2 330.472 3.503 20 0 EHADLO CSc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046469105 1033175587 /nfs/dbraw/zinc/17/55/87/1033175587.db2.gz WLDBEDALVMMAHR-HNNXBMFYSA-N 1 2 332.473 3.841 20 0 EHADLO Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000151110820 1024050891 /nfs/dbraw/zinc/05/08/91/1024050891.db2.gz OQRQCKJNBWFQIS-UHFFFAOYSA-N 1 2 349.438 3.906 20 0 EHADLO Cc1ccnc([C@H](C)[NH2+]Cc2nc3c(cccc3Br)[nH]2)c1 ZINC000449768555 1033184477 /nfs/dbraw/zinc/18/44/77/1033184477.db2.gz FYZQUTPZKMAETF-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000434487249 1024077050 /nfs/dbraw/zinc/07/70/50/1024077050.db2.gz VXCPLLDNVGAKRZ-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000151351533 1024102177 /nfs/dbraw/zinc/10/21/77/1024102177.db2.gz WPPVPFLHKMYRLV-WBVHZDCISA-N 1 2 339.345 3.893 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](c3ccncn3)C2)nc(C(C)C)[nH+]1 ZINC000367129502 1024123603 /nfs/dbraw/zinc/12/36/03/1024123603.db2.gz SUVRTVIFYZVRNY-OAHLLOKOSA-N 1 2 325.460 3.897 20 0 EHADLO C[N@H+](Cc1ccccc1Cl)Cc1cc(=O)oc2cc(O)ccc12 ZINC000007266182 1024146460 /nfs/dbraw/zinc/14/64/60/1024146460.db2.gz AVKOIIIRLLBEHM-UHFFFAOYSA-N 1 2 329.783 3.784 20 0 EHADLO C[N@@H+](Cc1ccccc1Cl)Cc1cc(=O)oc2cc(O)ccc12 ZINC000007266182 1024146479 /nfs/dbraw/zinc/14/64/79/1024146479.db2.gz AVKOIIIRLLBEHM-UHFFFAOYSA-N 1 2 329.783 3.784 20 0 EHADLO Cc1ccc(CC[N@@H+](Cc2ccco2)CN2C(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000840012344 1024154270 /nfs/dbraw/zinc/15/42/70/1024154270.db2.gz ABJWWPYTMBVFOP-UXHICEINSA-N 1 2 338.451 3.601 20 0 EHADLO Cc1ccc(CC[N@H+](Cc2ccco2)CN2C(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000840012344 1024154286 /nfs/dbraw/zinc/15/42/86/1024154286.db2.gz ABJWWPYTMBVFOP-UXHICEINSA-N 1 2 338.451 3.601 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840012083 1024155504 /nfs/dbraw/zinc/15/55/04/1024155504.db2.gz RHOCSWRTZVLPTO-OXQOHEQNSA-N 1 2 347.462 3.540 20 0 EHADLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840012083 1024155512 /nfs/dbraw/zinc/15/55/12/1024155512.db2.gz RHOCSWRTZVLPTO-OXQOHEQNSA-N 1 2 347.462 3.540 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C3CC3)C3CCCC3)cn2c1 ZINC000522281697 1024158174 /nfs/dbraw/zinc/15/81/74/1024158174.db2.gz BVTDYWZTUCURJK-UHFFFAOYSA-N 1 2 343.496 3.810 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCC(C)(C)C2)c1C ZINC000443563605 1024160582 /nfs/dbraw/zinc/16/05/82/1024160582.db2.gz HVIDZJVHVIZBQW-HNNXBMFYSA-N 1 2 333.476 3.817 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151573194 1024167671 /nfs/dbraw/zinc/16/76/71/1024167671.db2.gz SHIFUYVPLWAFFU-MRXNPFEDSA-N 1 2 340.471 3.778 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000192544664 1024178500 /nfs/dbraw/zinc/17/85/00/1024178500.db2.gz KJJGWTCUHZVBDR-HNNXBMFYSA-N 1 2 335.444 3.601 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000192544664 1024178507 /nfs/dbraw/zinc/17/85/07/1024178507.db2.gz KJJGWTCUHZVBDR-HNNXBMFYSA-N 1 2 335.444 3.601 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688068 1024296061 /nfs/dbraw/zinc/29/60/61/1024296061.db2.gz HWRACAWAJUGKTD-QGZVFWFLSA-N 1 2 347.503 3.519 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000366591210 1024325603 /nfs/dbraw/zinc/32/56/03/1024325603.db2.gz VTLVLJDZBQCHBY-IBGZPJMESA-N 1 2 347.418 3.944 20 0 EHADLO CC1(C)Cc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000346045624 1024336686 /nfs/dbraw/zinc/33/66/86/1024336686.db2.gz ZVCLOLIGSFVSLY-UHFFFAOYSA-N 1 2 333.391 3.838 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000113574580 1024368944 /nfs/dbraw/zinc/36/89/44/1024368944.db2.gz ASESCDGMDYHXKH-INIZCTEOSA-N 1 2 334.851 3.575 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000113574540 1024369280 /nfs/dbraw/zinc/36/92/80/1024369280.db2.gz XRBJXNPPGCYGNA-KRWDZBQOSA-N 1 2 348.878 3.965 20 0 EHADLO CCc1cc2c(ncnc2N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000895355443 1024372475 /nfs/dbraw/zinc/37/24/75/1024372475.db2.gz LJNKPBACTLSBIC-UHFFFAOYSA-N 1 2 339.468 3.730 20 0 EHADLO C[C@@H](Cc1ccoc1)[NH2+]Cc1nc2cccc(Br)c2[nH]1 ZINC000449780259 1033206572 /nfs/dbraw/zinc/20/65/72/1033206572.db2.gz YJVUSBWRFIHWPD-JTQLQIEISA-N 1 2 334.217 3.639 20 0 EHADLO CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505505942 1024388662 /nfs/dbraw/zinc/38/86/62/1024388662.db2.gz KZEXHEHUOKJKPV-DOTOQJQBSA-N 1 2 335.517 3.544 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000346091326 1024391814 /nfs/dbraw/zinc/39/18/14/1024391814.db2.gz XUNOVFJADRYSRO-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000346091326 1024391832 /nfs/dbraw/zinc/39/18/32/1024391832.db2.gz XUNOVFJADRYSRO-CQSZACIVSA-N 1 2 340.377 3.535 20 0 EHADLO CCOc1ccc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cn1 ZINC000346091661 1024392258 /nfs/dbraw/zinc/39/22/58/1024392258.db2.gz YWYQNOUPZHLPFU-UHFFFAOYSA-N 1 2 347.378 3.691 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505513838 1024413918 /nfs/dbraw/zinc/41/39/18/1024413918.db2.gz HYMWHGBQESAJOT-BEFAXECRSA-N 1 2 332.463 3.905 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2cccc(C)c2)cs1)C1CC1 ZINC000449782367 1033210183 /nfs/dbraw/zinc/21/01/83/1033210183.db2.gz ZEDSNZMBOCVDTR-ZDUSSCGKSA-N 1 2 329.469 3.818 20 0 EHADLO O=C(CCc1ccccc1Cl)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505518147 1024426754 /nfs/dbraw/zinc/42/67/54/1024426754.db2.gz ZTBFLMGILGKKDU-SFHVURJKSA-N 1 2 346.833 3.585 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184480491 1024430730 /nfs/dbraw/zinc/43/07/30/1024430730.db2.gz VATZVFVQMDOQEE-MELADBBJSA-N 1 2 337.533 3.786 20 0 EHADLO CC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1nccs1 ZINC000425193526 1024431284 /nfs/dbraw/zinc/43/12/84/1024431284.db2.gz MKCNRIUPUNHXAY-HUUCEWRRSA-N 1 2 340.452 3.656 20 0 EHADLO CS[C@@H]1CCCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425201527 1024438316 /nfs/dbraw/zinc/43/83/16/1024438316.db2.gz ALWMBEPSPLALSP-IAGOWNOFSA-N 1 2 343.496 3.676 20 0 EHADLO O=C(c1cccc(C2CCCC2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000665155164 1024444010 /nfs/dbraw/zinc/44/40/10/1024444010.db2.gz OEQCFKMGZYMCJQ-UHFFFAOYSA-N 1 2 335.451 3.702 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000505543860 1024455374 /nfs/dbraw/zinc/45/53/74/1024455374.db2.gz WIGVZNUEPSDUBM-KUHUBIRLSA-N 1 2 344.405 3.632 20 0 EHADLO CC1=C[C@@H](C)C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000684669478 1024462011 /nfs/dbraw/zinc/46/20/11/1024462011.db2.gz PNZYPVLTSATMLL-SNVBAGLBSA-N 1 2 337.345 3.752 20 0 EHADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000684669478 1024462018 /nfs/dbraw/zinc/46/20/18/1024462018.db2.gz PNZYPVLTSATMLL-SNVBAGLBSA-N 1 2 337.345 3.752 20 0 EHADLO CO[C@H](C)c1nc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cs1 ZINC000156704305 1024476575 /nfs/dbraw/zinc/47/65/75/1024476575.db2.gz OPTXQXFAOZESIA-MRVPVSSYSA-N 1 2 342.346 3.662 20 0 EHADLO COCCOC1C[NH+](Cc2sc3c(cccc3Cl)c2C)C1 ZINC001204999973 1024505126 /nfs/dbraw/zinc/50/51/26/1024505126.db2.gz HYUYSLLFOZTVHP-UHFFFAOYSA-N 1 2 325.861 3.710 20 0 EHADLO CCc1ccccc1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000474171854 1024510105 /nfs/dbraw/zinc/51/01/05/1024510105.db2.gz PMMUSEXPOHSSIS-UHFFFAOYSA-N 1 2 339.483 3.707 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459156940 1024515080 /nfs/dbraw/zinc/51/50/80/1024515080.db2.gz XJDMMPLYBAMHHC-QGZVFWFLSA-N 1 2 342.487 3.700 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000342241151 1024530868 /nfs/dbraw/zinc/53/08/68/1024530868.db2.gz XPFPLMBWUNDJQV-IBGZPJMESA-N 1 2 348.450 3.752 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2ccc(Cl)cc2[nH]1 ZINC000068253750 1024544742 /nfs/dbraw/zinc/54/47/42/1024544742.db2.gz PIMGMDYFAZGTDG-UHFFFAOYSA-N 1 2 339.826 3.567 20 0 EHADLO c1nc(C2CCC2)sc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346233563 1024548172 /nfs/dbraw/zinc/54/81/72/1024548172.db2.gz LEGSHQFBGYSQRL-KRWDZBQOSA-N 1 2 328.481 3.854 20 0 EHADLO c1nc(C2CCC2)sc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346233563 1024548179 /nfs/dbraw/zinc/54/81/79/1024548179.db2.gz LEGSHQFBGYSQRL-KRWDZBQOSA-N 1 2 328.481 3.854 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349663978 1024559228 /nfs/dbraw/zinc/55/92/28/1024559228.db2.gz FXPFRTWHDORPKA-LLVKDONJSA-N 1 2 337.876 3.615 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000892074678 1024568947 /nfs/dbraw/zinc/56/89/47/1024568947.db2.gz CKBNOSKFYWYLEJ-UHFFFAOYSA-N 1 2 341.299 3.925 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000892074678 1024568956 /nfs/dbraw/zinc/56/89/56/1024568956.db2.gz CKBNOSKFYWYLEJ-UHFFFAOYSA-N 1 2 341.299 3.925 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1)C2 ZINC000474202289 1024573970 /nfs/dbraw/zinc/57/39/70/1024573970.db2.gz SQNVYPSHKWSBQK-GDBMZVCRSA-N 1 2 325.456 3.558 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)c1ccccc1)CC2 ZINC000474202289 1024573975 /nfs/dbraw/zinc/57/39/75/1024573975.db2.gz SQNVYPSHKWSBQK-GDBMZVCRSA-N 1 2 325.456 3.558 20 0 EHADLO COc1ccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884159 1024589606 /nfs/dbraw/zinc/58/96/06/1024589606.db2.gz FBKXEKBGUSUWGH-WBVHZDCISA-N 1 2 336.395 3.696 20 0 EHADLO CC(=O)Nc1ccc(C[NH+]2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000895552734 1024606354 /nfs/dbraw/zinc/60/63/54/1024606354.db2.gz RQNZNNBYFGKLHU-QGZVFWFLSA-N 1 2 337.467 3.524 20 0 EHADLO CC1(C)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000425280006 1024620885 /nfs/dbraw/zinc/62/08/85/1024620885.db2.gz GPGFIOQAPQKUMV-INIZCTEOSA-N 1 2 343.496 3.676 20 0 EHADLO CCCCCN(Cc1ccc(F)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459190644 1024633986 /nfs/dbraw/zinc/63/39/86/1024633986.db2.gz XEIDGRYQODEDPQ-UHFFFAOYSA-N 1 2 346.450 3.504 20 0 EHADLO C[N@H+](Cc1c(F)c(Cl)ccc1Br)CC1(C)COC1 ZINC000895581783 1024640765 /nfs/dbraw/zinc/64/07/65/1024640765.db2.gz SFNJRPDWUDBIRI-UHFFFAOYSA-N 1 2 336.632 3.710 20 0 EHADLO C[N@@H+](Cc1c(F)c(Cl)ccc1Br)CC1(C)COC1 ZINC000895581783 1024640774 /nfs/dbraw/zinc/64/07/74/1024640774.db2.gz SFNJRPDWUDBIRI-UHFFFAOYSA-N 1 2 336.632 3.710 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000514675131 1024660830 /nfs/dbraw/zinc/66/08/30/1024660830.db2.gz MLXDOOWIPUIYQV-KXBFYZLASA-N 1 2 341.430 3.632 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000514694648 1024677148 /nfs/dbraw/zinc/67/71/48/1024677148.db2.gz MVVNVWJWZRLRNW-VQIMIIECSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000514694648 1024677150 /nfs/dbraw/zinc/67/71/50/1024677150.db2.gz MVVNVWJWZRLRNW-VQIMIIECSA-N 1 2 342.439 3.740 20 0 EHADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281174689 1024703232 /nfs/dbraw/zinc/70/32/32/1024703232.db2.gz LLGVWEODNICGEB-LSDHHAIUSA-N 1 2 349.434 3.546 20 0 EHADLO CC(C)Cc1ncc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425299891 1024708992 /nfs/dbraw/zinc/70/89/92/1024708992.db2.gz KNIDXPAUQZEASF-QGZVFWFLSA-N 1 2 349.438 3.559 20 0 EHADLO CSC[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425310595 1024723738 /nfs/dbraw/zinc/72/37/38/1024723738.db2.gz HTLKJUZUSAHGBU-RDJZCZTQSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000346455174 1024748510 /nfs/dbraw/zinc/74/85/10/1024748510.db2.gz MZTGETURKMPWST-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000346455174 1024748520 /nfs/dbraw/zinc/74/85/20/1024748520.db2.gz MZTGETURKMPWST-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO CC(C)n1cncc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000425324912 1024755538 /nfs/dbraw/zinc/75/55/38/1024755538.db2.gz LLSBZYAUQZVGAQ-UHFFFAOYSA-N 1 2 347.409 3.837 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC1(C)C ZINC000425326785 1024755730 /nfs/dbraw/zinc/75/57/30/1024755730.db2.gz LZTALHJIENBVFC-IKGGRYGDSA-N 1 2 325.456 3.873 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474338097 1024764586 /nfs/dbraw/zinc/76/45/86/1024764586.db2.gz SBTRCFCGIWPTTP-IBGZPJMESA-N 1 2 342.414 3.828 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474338097 1024764598 /nfs/dbraw/zinc/76/45/98/1024764598.db2.gz SBTRCFCGIWPTTP-IBGZPJMESA-N 1 2 342.414 3.828 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594177042 1033237694 /nfs/dbraw/zinc/23/76/94/1033237694.db2.gz MJNLSOWVZTWLGJ-NHCUHLMSSA-N 1 2 344.414 3.628 20 0 EHADLO CCN(CC(=O)Nc1c(C)cccc1C)Cc1c[nH+]cn1C(C)C ZINC000425336550 1024779701 /nfs/dbraw/zinc/77/97/01/1024779701.db2.gz LRQNDCUAQFOUHC-UHFFFAOYSA-N 1 2 328.460 3.541 20 0 EHADLO CC[C@H]1C[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCCO1 ZINC000281232560 1024795063 /nfs/dbraw/zinc/79/50/63/1024795063.db2.gz CKWWWKGWNVAMFX-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCCO1 ZINC000281232560 1024795077 /nfs/dbraw/zinc/79/50/77/1024795077.db2.gz CKWWWKGWNVAMFX-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@H](CCO)c2ccco2)c2cccnc2)ccc1F ZINC000346537045 1024839569 /nfs/dbraw/zinc/83/95/69/1024839569.db2.gz JBLLITMETDWRTO-UYAOXDASSA-N 1 2 340.398 3.925 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000508026975 1024854000 /nfs/dbraw/zinc/85/40/00/1024854000.db2.gz UJKLPXYTUHVKSH-HNNXBMFYSA-N 1 2 339.483 3.998 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000508026975 1024854017 /nfs/dbraw/zinc/85/40/17/1024854017.db2.gz UJKLPXYTUHVKSH-HNNXBMFYSA-N 1 2 339.483 3.998 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000425374432 1024883940 /nfs/dbraw/zinc/88/39/40/1024883940.db2.gz XEYOZMGNVMBLIW-VQIMIIECSA-N 1 2 335.369 3.573 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000425374432 1024883945 /nfs/dbraw/zinc/88/39/45/1024883945.db2.gz XEYOZMGNVMBLIW-VQIMIIECSA-N 1 2 335.369 3.573 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)/C=C\C=C(Cl)Cl)n1 ZINC000895843049 1024888257 /nfs/dbraw/zinc/88/82/57/1024888257.db2.gz JAQAWVYRWUMFCG-ALCCZGGFSA-N 1 2 334.272 3.799 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000431573502 1033243445 /nfs/dbraw/zinc/24/34/45/1033243445.db2.gz AXLPCKKZBVFQDJ-DEOSSOPVSA-N 1 2 338.476 3.997 20 0 EHADLO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000281296607 1024895121 /nfs/dbraw/zinc/89/51/21/1024895121.db2.gz NFHDLLYBDOMGGG-OAHLLOKOSA-N 1 2 348.450 3.687 20 0 EHADLO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1nnc2n1CCOC2)C1CC1 ZINC000281296607 1024895136 /nfs/dbraw/zinc/89/51/36/1024895136.db2.gz NFHDLLYBDOMGGG-OAHLLOKOSA-N 1 2 348.450 3.687 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC000895851145 1024911684 /nfs/dbraw/zinc/91/16/84/1024911684.db2.gz MUIHLHYZLZFFKI-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)cc1 ZINC000895851145 1024911690 /nfs/dbraw/zinc/91/16/90/1024911690.db2.gz MUIHLHYZLZFFKI-NRFANRHFSA-N 1 2 338.451 3.543 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@H]3CC(C)(C)CO3)c2)[nH+]c1C ZINC000895855854 1024915103 /nfs/dbraw/zinc/91/51/03/1024915103.db2.gz ULOFDUCJKKMHCB-MRXNPFEDSA-N 1 2 327.428 3.837 20 0 EHADLO CC(=O)Nc1cc(NCc2c[nH+]c(C)n2-c2ccccc2)ccc1F ZINC000327448978 1024920682 /nfs/dbraw/zinc/92/06/82/1024920682.db2.gz RHUHGQBBAWTGKB-UHFFFAOYSA-N 1 2 338.386 3.890 20 0 EHADLO COc1cc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211885480 1024932603 /nfs/dbraw/zinc/93/26/03/1024932603.db2.gz PNPLVYMVNRUFPN-HOTGVXAUSA-N 1 2 336.395 3.696 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000139266272 1033247823 /nfs/dbraw/zinc/24/78/23/1033247823.db2.gz QUUBCDTXWUQPNT-LLVKDONJSA-N 1 2 329.425 3.619 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000139266272 1033247832 /nfs/dbraw/zinc/24/78/32/1033247832.db2.gz QUUBCDTXWUQPNT-LLVKDONJSA-N 1 2 329.425 3.619 20 0 EHADLO Cc1cccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000327489891 1024982623 /nfs/dbraw/zinc/98/26/23/1024982623.db2.gz NAGNNZUWXRITIU-UHFFFAOYSA-N 1 2 329.407 3.779 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1OC1CC1 ZINC000897943145 1033253400 /nfs/dbraw/zinc/25/34/00/1033253400.db2.gz XHRZISPRMDDTLM-UHFFFAOYSA-N 1 2 330.428 3.812 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000515093585 1025013084 /nfs/dbraw/zinc/01/30/84/1025013084.db2.gz NDURIBCFLNFMOO-AZUAARDMSA-N 1 2 327.424 3.635 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000515093585 1025013091 /nfs/dbraw/zinc/01/30/91/1025013091.db2.gz NDURIBCFLNFMOO-AZUAARDMSA-N 1 2 327.424 3.635 20 0 EHADLO OC[C@@]1([NH2+]Cc2c(Cl)cccc2Cl)CCOc2ccccc21 ZINC000281465438 1025072564 /nfs/dbraw/zinc/07/25/64/1025072564.db2.gz BGAGOIDQPCBCTI-KRWDZBQOSA-N 1 2 338.234 3.753 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000435688337 1025081775 /nfs/dbraw/zinc/08/17/75/1025081775.db2.gz OFJYGCUZLJUKJE-APWZRJJASA-N 1 2 346.434 3.633 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(C)C)cc1O ZINC000277433945 1025086159 /nfs/dbraw/zinc/08/61/59/1025086159.db2.gz DZFFYOWLHOZDOI-UHFFFAOYSA-N 1 2 343.471 3.827 20 0 EHADLO FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000190945076 1025111150 /nfs/dbraw/zinc/11/11/50/1025111150.db2.gz FEBHCNLSRRFWAU-CQSZACIVSA-N 1 2 345.413 3.560 20 0 EHADLO FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000190945076 1025111156 /nfs/dbraw/zinc/11/11/56/1025111156.db2.gz FEBHCNLSRRFWAU-CQSZACIVSA-N 1 2 345.413 3.560 20 0 EHADLO CC(C)CCCCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000060929486 1033259422 /nfs/dbraw/zinc/25/94/22/1033259422.db2.gz DFHLHORXFDGBEL-UHFFFAOYSA-N 1 2 346.519 3.956 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000346780456 1025118576 /nfs/dbraw/zinc/11/85/76/1025118576.db2.gz KJDSKENRXODFRF-UHFFFAOYSA-N 1 2 347.724 3.506 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000346795285 1025140356 /nfs/dbraw/zinc/14/03/56/1025140356.db2.gz ILYWQTATWCHJSP-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000346795285 1025140363 /nfs/dbraw/zinc/14/03/63/1025140363.db2.gz ILYWQTATWCHJSP-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000435793789 1025140547 /nfs/dbraw/zinc/14/05/47/1025140547.db2.gz DNJKSEJPNKJSIA-RYGJVYDSSA-N 1 2 331.419 3.538 20 0 EHADLO CCSc1ccccc1C[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934268486 1025183154 /nfs/dbraw/zinc/18/31/54/1025183154.db2.gz CCYUVEVDRBLHRV-AWEZNQCLSA-N 1 2 345.468 3.640 20 0 EHADLO CCSc1ccccc1C[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934268486 1025183158 /nfs/dbraw/zinc/18/31/58/1025183158.db2.gz CCYUVEVDRBLHRV-AWEZNQCLSA-N 1 2 345.468 3.640 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522735723 1025187724 /nfs/dbraw/zinc/18/77/24/1025187724.db2.gz YGTCNZVXHYIBKF-WOJBJXKFSA-N 1 2 331.419 3.938 20 0 EHADLO CCSc1ccc([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000896161128 1025198022 /nfs/dbraw/zinc/19/80/22/1025198022.db2.gz BFVMNPLOONAQGZ-CQSZACIVSA-N 1 2 331.485 3.916 20 0 EHADLO CS[C@@H](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277475124 1025253589 /nfs/dbraw/zinc/25/35/89/1025253589.db2.gz BCFHMUNDIIZHBO-ZDUSSCGKSA-N 1 2 329.469 3.967 20 0 EHADLO CC(C)([NH2+]Cc1nc(C(F)F)no1)c1ccc(Br)cc1 ZINC000425426063 1025257558 /nfs/dbraw/zinc/25/75/58/1025257558.db2.gz PWWYGODZTUAYJF-UHFFFAOYSA-N 1 2 346.175 3.795 20 0 EHADLO Cc1ccc(F)c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474649381 1025272603 /nfs/dbraw/zinc/27/26/03/1025272603.db2.gz DCANSHSYDDXVDD-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1ccc(F)c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474649381 1025272614 /nfs/dbraw/zinc/27/26/14/1025272614.db2.gz DCANSHSYDDXVDD-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521229646 1025274548 /nfs/dbraw/zinc/27/45/48/1025274548.db2.gz OFUKOCFNKXYAFC-AOIWGVFYSA-N 1 2 346.540 3.719 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281612194 1025278100 /nfs/dbraw/zinc/27/81/00/1025278100.db2.gz KTXXMACDZHSNFJ-UHFFFAOYSA-N 1 2 343.320 3.558 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)cc1Cl ZINC000896238382 1025278752 /nfs/dbraw/zinc/27/87/52/1025278752.db2.gz VCGNSOGDLQKTDS-JTQLQIEISA-N 1 2 342.226 3.683 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CC[C@H](c3noc(C)n3)C2)cc1Cl ZINC000896238382 1025278763 /nfs/dbraw/zinc/27/87/63/1025278763.db2.gz VCGNSOGDLQKTDS-JTQLQIEISA-N 1 2 342.226 3.683 20 0 EHADLO CCc1ccsc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474651087 1025293876 /nfs/dbraw/zinc/29/38/76/1025293876.db2.gz VLXMJZNCBVBIIA-UHFFFAOYSA-N 1 2 348.899 3.752 20 0 EHADLO CCc1ccsc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474651087 1025293889 /nfs/dbraw/zinc/29/38/89/1025293889.db2.gz VLXMJZNCBVBIIA-UHFFFAOYSA-N 1 2 348.899 3.752 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(OC3CCC(C)CC3)CC2)c[nH+]1 ZINC000896262862 1025298684 /nfs/dbraw/zinc/29/86/84/1025298684.db2.gz UZTBZWJPEFCJNG-UHFFFAOYSA-N 1 2 347.503 3.513 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2cccc(F)c2F)c1 ZINC000346914596 1025310106 /nfs/dbraw/zinc/31/01/06/1025310106.db2.gz YZTCNTXNGWJEIF-CYBMUJFWSA-N 1 2 341.361 3.950 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346927737 1025320904 /nfs/dbraw/zinc/32/09/04/1025320904.db2.gz VOHMXTNSHSKFEX-MAUKXSAKSA-N 1 2 325.456 3.876 20 0 EHADLO CC(C)Cn1nccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000648045304 1025332060 /nfs/dbraw/zinc/33/20/60/1025332060.db2.gz MFWINSYODTVPGF-QZTJIDSGSA-N 1 2 333.863 3.500 20 0 EHADLO CC(C)Cn1nccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000648045304 1025332073 /nfs/dbraw/zinc/33/20/73/1025332073.db2.gz MFWINSYODTVPGF-QZTJIDSGSA-N 1 2 333.863 3.500 20 0 EHADLO CC(C)c1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000665445315 1025341833 /nfs/dbraw/zinc/34/18/33/1025341833.db2.gz OMQPFHRCYICMNU-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO CC1=CC[C@](C)(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000665445215 1025347606 /nfs/dbraw/zinc/34/76/06/1025347606.db2.gz LFHKFRYJNLXZQX-FQEVSTJZSA-N 1 2 328.456 3.594 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)oc21 ZINC000521365900 1025349584 /nfs/dbraw/zinc/34/95/84/1025349584.db2.gz DZSQNDLAUGKOKT-STQMWFEESA-N 1 2 341.411 3.611 20 0 EHADLO CCOc1cccc2cc([C@H](C)NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)oc21 ZINC000521365900 1025349596 /nfs/dbraw/zinc/34/95/96/1025349596.db2.gz DZSQNDLAUGKOKT-STQMWFEESA-N 1 2 341.411 3.611 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474693815 1025351576 /nfs/dbraw/zinc/35/15/76/1025351576.db2.gz DOTHQLXOLZROKI-MOPGFXCFSA-N 1 2 325.456 3.764 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2cccnc2)nc2cc(Cl)ccc21 ZINC000346977715 1025354921 /nfs/dbraw/zinc/35/49/21/1025354921.db2.gz KRTFMNDBBVAWKZ-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2cccnc2)nc2cc(Cl)ccc21 ZINC000346977715 1025354930 /nfs/dbraw/zinc/35/49/30/1025354930.db2.gz KRTFMNDBBVAWKZ-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346974692 1025371807 /nfs/dbraw/zinc/37/18/07/1025371807.db2.gz FMOJVYUWGBXGIM-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346974692 1025371819 /nfs/dbraw/zinc/37/18/19/1025371819.db2.gz FMOJVYUWGBXGIM-HNNXBMFYSA-N 1 2 349.887 3.592 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ncc(Br)cn1 ZINC000353896410 1025387203 /nfs/dbraw/zinc/38/72/03/1025387203.db2.gz HGALJQVQBKUXMB-SNVBAGLBSA-N 1 2 331.217 3.571 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000281699821 1025390267 /nfs/dbraw/zinc/39/02/67/1025390267.db2.gz VWUURYNXBAFBCM-UHFFFAOYSA-N 1 2 331.725 3.664 20 0 EHADLO Fc1ccc(Br)c(F)c1C[NH+]1CCC2(CCOC2)CC1 ZINC000684770974 1025410094 /nfs/dbraw/zinc/41/00/94/1025410094.db2.gz VATBJOQLFWTMTO-UHFFFAOYSA-N 1 2 346.215 3.730 20 0 EHADLO COc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746354 1033276915 /nfs/dbraw/zinc/27/69/15/1033276915.db2.gz HZOPUKQWAHPNFP-FOIQADDNSA-N 1 2 345.414 3.675 20 0 EHADLO COc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607746354 1033276923 /nfs/dbraw/zinc/27/69/23/1033276923.db2.gz HZOPUKQWAHPNFP-FOIQADDNSA-N 1 2 345.414 3.675 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@]2(CO)CCCc3ccccc32)cs1 ZINC000281747750 1025425650 /nfs/dbraw/zinc/42/56/50/1025425650.db2.gz QTMJHBKZFUGYEB-IBGZPJMESA-N 1 2 330.497 3.754 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2nccn2C(C)C)ccn1 ZINC000657356228 1025430310 /nfs/dbraw/zinc/43/03/10/1025430310.db2.gz IUUFTGCKFATRCF-MRXNPFEDSA-N 1 2 330.476 3.962 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000529042227 1033283265 /nfs/dbraw/zinc/28/32/65/1033283265.db2.gz QNUWPQWVIOWOHN-RRQGHBQHSA-N 1 2 346.521 3.819 20 0 EHADLO c1sc(CSCC[NH+]2CCOCC2)nc1C1CCCCC1 ZINC000436210330 1025460688 /nfs/dbraw/zinc/46/06/88/1025460688.db2.gz NHKMXHNRXBGRIO-UHFFFAOYSA-N 1 2 326.531 3.756 20 0 EHADLO COCCOc1ccc(CNc2cc[nH+]c3c(OC)cccc23)cc1 ZINC000436196016 1025467376 /nfs/dbraw/zinc/46/73/76/1025467376.db2.gz FUYKUJJKVUDANR-UHFFFAOYSA-N 1 2 338.407 3.881 20 0 EHADLO c1cc(-c2ncc(C[N@@H+]3CCO[C@]4(CCSC4)C3)s2)cs1 ZINC000648051311 1025476615 /nfs/dbraw/zinc/47/66/15/1025476615.db2.gz OHBVLPPZHMQGLE-OAHLLOKOSA-N 1 2 338.523 3.580 20 0 EHADLO c1cc(-c2ncc(C[N@H+]3CCO[C@]4(CCSC4)C3)s2)cs1 ZINC000648051311 1025476627 /nfs/dbraw/zinc/47/66/27/1025476627.db2.gz OHBVLPPZHMQGLE-OAHLLOKOSA-N 1 2 338.523 3.580 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451075942 1025499210 /nfs/dbraw/zinc/49/92/10/1025499210.db2.gz ZLLPUMFWMPEBTD-CQSZACIVSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451075942 1025499225 /nfs/dbraw/zinc/49/92/25/1025499225.db2.gz ZLLPUMFWMPEBTD-CQSZACIVSA-N 1 2 335.860 3.722 20 0 EHADLO C[C@@H](CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000347100367 1025525383 /nfs/dbraw/zinc/52/53/83/1025525383.db2.gz JGLBBBYERZPYLW-AWEZNQCLSA-N 1 2 329.419 3.511 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F ZINC000515736230 1025546766 /nfs/dbraw/zinc/54/67/66/1025546766.db2.gz WRIVEWBLMYQWFH-NXEZZACHSA-N 1 2 340.320 3.921 20 0 EHADLO Cc1cc(-c2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)c(C)o1 ZINC000347132707 1025553951 /nfs/dbraw/zinc/55/39/51/1025553951.db2.gz BPCZQCLIBPQKEZ-UHFFFAOYSA-N 1 2 344.321 3.931 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000103000351 1025554940 /nfs/dbraw/zinc/55/49/40/1025554940.db2.gz FFYDKVOIQKDEFT-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442879331 1025557500 /nfs/dbraw/zinc/55/75/00/1025557500.db2.gz IWPXVJWWEPOSRK-UHFFFAOYSA-N 1 2 327.350 3.848 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442879331 1025557510 /nfs/dbraw/zinc/55/75/10/1025557510.db2.gz IWPXVJWWEPOSRK-UHFFFAOYSA-N 1 2 327.350 3.848 20 0 EHADLO CC(C)c1cc(NCc2nc3c(s2)COCC3)nc(C(C)C)[nH+]1 ZINC000896543495 1025587055 /nfs/dbraw/zinc/58/70/55/1025587055.db2.gz PWXSLHFKQVNUKJ-UHFFFAOYSA-N 1 2 332.473 3.865 20 0 EHADLO CC(C)COc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000898021008 1033294506 /nfs/dbraw/zinc/29/45/06/1033294506.db2.gz QQFSROVRSTYXKP-UHFFFAOYSA-N 1 2 341.377 3.764 20 0 EHADLO CC(C)n1ncnc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451148969 1025602998 /nfs/dbraw/zinc/60/29/98/1025602998.db2.gz XJLJEQOLMCREDP-UHFFFAOYSA-N 1 2 340.349 3.537 20 0 EHADLO C[C@@H]([NH2+]C(C)(C)c1cccs1)c1ncc(Br)cn1 ZINC000347166783 1025605150 /nfs/dbraw/zinc/60/51/50/1025605150.db2.gz LYVCCAPZBFRCAU-SECBINFHSA-N 1 2 326.263 3.887 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2nc(C3CC3)sc2c1)[NH+]1CCSCC1 ZINC000179163537 1025620436 /nfs/dbraw/zinc/62/04/36/1025620436.db2.gz AFTADBHNGSPTLX-NSHDSACASA-N 1 2 347.509 3.550 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC000451194585 1025665039 /nfs/dbraw/zinc/66/50/39/1025665039.db2.gz ZHXFZQQXMIIBDE-CYBMUJFWSA-N 1 2 333.398 3.663 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(Cl)s1 ZINC000018936090 1025665868 /nfs/dbraw/zinc/66/58/68/1025665868.db2.gz LLXVAOYMYLFFRX-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(Cl)s1 ZINC000018936090 1025665880 /nfs/dbraw/zinc/66/58/80/1025665880.db2.gz LLXVAOYMYLFFRX-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)[nH]2)cc1 ZINC000436409121 1025706476 /nfs/dbraw/zinc/70/64/76/1025706476.db2.gz IAQVUYATANOPDE-ZWKOTPCHSA-N 1 2 348.450 3.810 20 0 EHADLO Cc1[nH]ncc1C[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000109352229 1025713262 /nfs/dbraw/zinc/71/32/62/1025713262.db2.gz RXRPIINZMKUFPK-SNVBAGLBSA-N 1 2 340.290 3.751 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000515904598 1025730200 /nfs/dbraw/zinc/73/02/00/1025730200.db2.gz JHYQUBHBORTXEX-KRWDZBQOSA-N 1 2 344.434 3.719 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(C2(CCOC)CCCC2)no1)c1ccccc1 ZINC000896625281 1025731870 /nfs/dbraw/zinc/73/18/70/1025731870.db2.gz YKFWCSJYWTUMLP-QGZVFWFLSA-N 1 2 343.471 3.959 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(C2(CCOC)CCCC2)no1)c1ccccc1 ZINC000896625281 1025731882 /nfs/dbraw/zinc/73/18/82/1025731882.db2.gz YKFWCSJYWTUMLP-QGZVFWFLSA-N 1 2 343.471 3.959 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000515922210 1025743206 /nfs/dbraw/zinc/74/32/06/1025743206.db2.gz NGNCCAMKUPNDPS-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000515922210 1025743223 /nfs/dbraw/zinc/74/32/23/1025743223.db2.gz NGNCCAMKUPNDPS-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO FC(F)(F)c1cccc([C@@]2(F)CC[N@H+](Cc3cnccn3)C2)c1 ZINC000582286906 1025767075 /nfs/dbraw/zinc/76/70/75/1025767075.db2.gz GBEMZBULAHCNGP-OAHLLOKOSA-N 1 2 325.309 3.566 20 0 EHADLO FC(F)(F)c1cccc([C@@]2(F)CC[N@@H+](Cc3cnccn3)C2)c1 ZINC000582286906 1025767088 /nfs/dbraw/zinc/76/70/88/1025767088.db2.gz GBEMZBULAHCNGP-OAHLLOKOSA-N 1 2 325.309 3.566 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccnc(-c3cccc(Cl)c3)n1)C2 ZINC000896651219 1025804908 /nfs/dbraw/zinc/80/49/08/1025804908.db2.gz RVWZTKHUKCHRAJ-UHFFFAOYSA-N 1 2 339.830 3.576 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CC[C@@H](C)C4)n2)C1 ZINC000329398930 1025808611 /nfs/dbraw/zinc/80/86/11/1025808611.db2.gz XEEBKFVBITWBTL-OCCSQVGLSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CC[C@@H](C)C4)n2)C1 ZINC000329398930 1025808635 /nfs/dbraw/zinc/80/86/35/1025808635.db2.gz XEEBKFVBITWBTL-OCCSQVGLSA-N 1 2 347.484 3.705 20 0 EHADLO CC[C@@H]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000474903602 1025834397 /nfs/dbraw/zinc/83/43/97/1025834397.db2.gz XINXPKNUGIEIJY-QZTJIDSGSA-N 1 2 329.488 3.905 20 0 EHADLO CCc1onc(C)c1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000896665534 1025838778 /nfs/dbraw/zinc/83/87/78/1025838778.db2.gz IAMHKUREEWATKO-UHFFFAOYSA-N 1 2 335.205 3.796 20 0 EHADLO CCc1onc(C)c1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000896665534 1025838798 /nfs/dbraw/zinc/83/87/98/1025838798.db2.gz IAMHKUREEWATKO-UHFFFAOYSA-N 1 2 335.205 3.796 20 0 EHADLO Clc1ccc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000281979291 1025856226 /nfs/dbraw/zinc/85/62/26/1025856226.db2.gz HMXRPJWPWGKLAI-OAHLLOKOSA-N 1 2 330.863 3.647 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451359212 1025867678 /nfs/dbraw/zinc/86/76/78/1025867678.db2.gz VSOKGJMDPLOUOU-VFZGTOFNSA-N 1 2 339.798 3.810 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc2ccccc2c1O ZINC000436566086 1025897166 /nfs/dbraw/zinc/89/71/66/1025897166.db2.gz UWILDGSLBKWJAK-UHFFFAOYSA-N 1 2 335.407 3.563 20 0 EHADLO CCc1cc(N2CCCCC[C@@H]2c2noc(C(C)C)n2)nc(C)[nH+]1 ZINC000329474912 1025899259 /nfs/dbraw/zinc/89/92/59/1025899259.db2.gz SWJPHFOYFDPMKH-OAHLLOKOSA-N 1 2 329.448 3.976 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000121825373 1025899579 /nfs/dbraw/zinc/89/95/79/1025899579.db2.gz UKLBKZRPHQISTA-MHECFPHRSA-N 1 2 340.448 3.551 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c(F)c1 ZINC000443313214 1025902617 /nfs/dbraw/zinc/90/26/17/1025902617.db2.gz PMRHYWOPTRAEMR-HNNXBMFYSA-N 1 2 348.462 3.885 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(F)c1 ZINC000443313214 1025902634 /nfs/dbraw/zinc/90/26/34/1025902634.db2.gz PMRHYWOPTRAEMR-HNNXBMFYSA-N 1 2 348.462 3.885 20 0 EHADLO CS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000324482440 1025907357 /nfs/dbraw/zinc/90/73/57/1025907357.db2.gz JGZDMTVJILOBAF-IBGZPJMESA-N 1 2 341.432 3.562 20 0 EHADLO CSc1cccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000522891698 1025913368 /nfs/dbraw/zinc/91/33/68/1025913368.db2.gz WTQKLVJDPFZSCR-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1ccoc1C)[C@@H](C)c1ccc(F)cc1 ZINC000193996473 1025922256 /nfs/dbraw/zinc/92/22/56/1025922256.db2.gz ZORPNTQOHSXRRP-AWEZNQCLSA-N 1 2 332.419 3.769 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1ccoc1C)[C@@H](C)c1ccc(F)cc1 ZINC000193996473 1025922265 /nfs/dbraw/zinc/92/22/65/1025922265.db2.gz ZORPNTQOHSXRRP-AWEZNQCLSA-N 1 2 332.419 3.769 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000443333874 1025925438 /nfs/dbraw/zinc/92/54/38/1025925438.db2.gz KSCVLZIXSHEHLX-UHFFFAOYSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000443333874 1025925447 /nfs/dbraw/zinc/92/54/47/1025925447.db2.gz KSCVLZIXSHEHLX-UHFFFAOYSA-N 1 2 348.512 3.771 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccn2[C@@H](C)Cc2ccccc2)[nH+]c1C ZINC000896912858 1025959799 /nfs/dbraw/zinc/95/97/99/1025959799.db2.gz IXRYQAJXTHWMCJ-AWEZNQCLSA-N 1 2 336.439 3.562 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)s1 ZINC000530519186 1025976183 /nfs/dbraw/zinc/97/61/83/1025976183.db2.gz WSUBYKABVJPBSA-MLGOLLRUSA-N 1 2 339.468 3.760 20 0 EHADLO c1ccc(CC[N@H+](Cc2nc3ccccc3o2)Cc2ccncc2)nc1 ZINC000684836251 1025990996 /nfs/dbraw/zinc/99/09/96/1025990996.db2.gz HCWHWZYVLPWZJP-UHFFFAOYSA-N 1 2 344.418 3.863 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nc3ccccc3o2)Cc2ccncc2)nc1 ZINC000684836251 1025991015 /nfs/dbraw/zinc/99/10/15/1025991015.db2.gz HCWHWZYVLPWZJP-UHFFFAOYSA-N 1 2 344.418 3.863 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)no1 ZINC000451506068 1026025982 /nfs/dbraw/zinc/02/59/82/1026025982.db2.gz UEMLBMZLPRHOLG-DLBZAZTESA-N 1 2 343.471 3.651 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)[nH+]c1C ZINC000896924611 1026051801 /nfs/dbraw/zinc/05/18/01/1026051801.db2.gz ZYIVXRSXJQVLLG-HNNXBMFYSA-N 1 2 329.444 3.542 20 0 EHADLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)c2cccn2C)CC1 ZINC000505867437 1026062218 /nfs/dbraw/zinc/06/22/18/1026062218.db2.gz GGGZKUITIRKMRB-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)c2cccn2C)CC1 ZINC000505867437 1026062237 /nfs/dbraw/zinc/06/22/37/1026062237.db2.gz GGGZKUITIRKMRB-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2cc(C)nc(-c3ccccn3)n2)[nH+]c1C ZINC000895193151 1026092598 /nfs/dbraw/zinc/09/25/98/1026092598.db2.gz LWQHUCGMYRNPOW-INIZCTEOSA-N 1 2 334.427 3.528 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2nc(Cl)nc3ccccc32)[nH+]c1C ZINC000895197113 1026098780 /nfs/dbraw/zinc/09/87/80/1026098780.db2.gz PHNHXAIUXAFJQQ-CQSZACIVSA-N 1 2 327.819 3.965 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)ccn12 ZINC000516191847 1026099382 /nfs/dbraw/zinc/09/93/82/1026099382.db2.gz LOMWFHAOQQFKFO-SFHVURJKSA-N 1 2 347.422 3.646 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc2ccccc2c1O ZINC000436741762 1026109540 /nfs/dbraw/zinc/10/95/40/1026109540.db2.gz VWNJIVWEPLUUSM-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO CC(C)(C)c1ccc(C2CC[NH+](Cc3ncnn3CCF)CC2)cc1 ZINC000451533550 1026113940 /nfs/dbraw/zinc/11/39/40/1026113940.db2.gz MOEJIQDACQWCON-UHFFFAOYSA-N 1 2 344.478 3.925 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451563088 1026115235 /nfs/dbraw/zinc/11/52/35/1026115235.db2.gz JOCMCVQGQZTIBP-COPLHBTASA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451563088 1026115243 /nfs/dbraw/zinc/11/52/43/1026115243.db2.gz JOCMCVQGQZTIBP-COPLHBTASA-N 1 2 345.270 3.677 20 0 EHADLO CC(C)c1ccc(CN(C(=O)NCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000042900778 1026115783 /nfs/dbraw/zinc/11/57/83/1026115783.db2.gz RPZCTIANRJFJLY-UHFFFAOYSA-N 1 2 340.471 3.771 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000277578502 1026121933 /nfs/dbraw/zinc/12/19/33/1026121933.db2.gz OGTBCKVPNIIOBJ-UHFFFAOYSA-N 1 2 342.418 3.618 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c1Cl ZINC000896940315 1026129112 /nfs/dbraw/zinc/12/91/12/1026129112.db2.gz YAMCIIZLDIQZNR-UHFFFAOYSA-N 1 2 347.894 3.735 20 0 EHADLO CCCCn1nc(C)c(C[N@H+]2CCn3nc(C4CC4)cc3C2)c1Cl ZINC000896940315 1026129116 /nfs/dbraw/zinc/12/91/16/1026129116.db2.gz YAMCIIZLDIQZNR-UHFFFAOYSA-N 1 2 347.894 3.735 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000896943265 1026136869 /nfs/dbraw/zinc/13/68/69/1026136869.db2.gz SEQNJHOTXJTLPR-UHFFFAOYSA-N 1 2 343.519 3.765 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000896943265 1026136873 /nfs/dbraw/zinc/13/68/73/1026136873.db2.gz SEQNJHOTXJTLPR-UHFFFAOYSA-N 1 2 343.519 3.765 20 0 EHADLO C[N@H+](Cc1csc(-c2ccccn2)n1)[C@H](CCO)c1ccccc1 ZINC000304289826 1026146144 /nfs/dbraw/zinc/14/61/44/1026146144.db2.gz BYHBLBGAKVIRDA-GOSISDBHSA-N 1 2 339.464 3.761 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H](CCO)c1ccccc1 ZINC000304289826 1026146158 /nfs/dbraw/zinc/14/61/58/1026146158.db2.gz BYHBLBGAKVIRDA-GOSISDBHSA-N 1 2 339.464 3.761 20 0 EHADLO CCC[C@@H]([NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000475088785 1026151113 /nfs/dbraw/zinc/15/11/13/1026151113.db2.gz AIKDFJJAOXEYAR-PESDSKBTSA-N 1 2 329.362 3.883 20 0 EHADLO Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000530639431 1026170836 /nfs/dbraw/zinc/17/08/36/1026170836.db2.gz IHNMWPMYMPFUSM-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000530639431 1026170843 /nfs/dbraw/zinc/17/08/43/1026170843.db2.gz IHNMWPMYMPFUSM-GOSISDBHSA-N 1 2 342.414 3.833 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000530662406 1026196676 /nfs/dbraw/zinc/19/66/76/1026196676.db2.gz YQYDHMGXDQUKQI-CYBMUJFWSA-N 1 2 349.390 3.585 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000530662406 1026196688 /nfs/dbraw/zinc/19/66/88/1026196688.db2.gz YQYDHMGXDQUKQI-CYBMUJFWSA-N 1 2 349.390 3.585 20 0 EHADLO C[C@H]1CCN(C(=O)CCCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000896982634 1026205063 /nfs/dbraw/zinc/20/50/63/1026205063.db2.gz UOAMSHQYGGMPRZ-PKOBYXMFSA-N 1 2 325.456 3.706 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475128803 1026214125 /nfs/dbraw/zinc/21/41/25/1026214125.db2.gz JXVKNCLFNAESAO-HYVNUMGLSA-N 1 2 328.460 3.594 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000111231710 1026240500 /nfs/dbraw/zinc/24/05/00/1026240500.db2.gz KLKFAGYGXKADHO-NEPJUHHUSA-N 1 2 348.415 3.759 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1csc(-c2ccsc2)n1)C(F)(F)F ZINC000111231710 1026240511 /nfs/dbraw/zinc/24/05/11/1026240511.db2.gz KLKFAGYGXKADHO-NEPJUHHUSA-N 1 2 348.415 3.759 20 0 EHADLO Cc1ccc(-c2noc(COc3ccccc3-n3cc[nH+]c3)n2)cc1 ZINC000530717354 1026240808 /nfs/dbraw/zinc/24/08/08/1026240808.db2.gz FOONOQBASVBXEZ-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000530754433 1026266164 /nfs/dbraw/zinc/26/61/64/1026266164.db2.gz ODYMAXNPBQLHKP-GOSISDBHSA-N 1 2 344.434 3.739 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000111376967 1026266810 /nfs/dbraw/zinc/26/68/10/1026266810.db2.gz ZIHNTKZISYSLGA-ZJUUUORDSA-N 1 2 339.411 3.662 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835229 1026317369 /nfs/dbraw/zinc/31/73/69/1026317369.db2.gz JUPMBKTZHURUPD-LPHOPBHVSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835229 1026317380 /nfs/dbraw/zinc/31/73/80/1026317380.db2.gz JUPMBKTZHURUPD-LPHOPBHVSA-N 1 2 338.451 3.854 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835226 1026317514 /nfs/dbraw/zinc/31/75/14/1026317514.db2.gz JUPMBKTZHURUPD-APWZRJJASA-N 1 2 338.451 3.854 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835226 1026317529 /nfs/dbraw/zinc/31/75/29/1026317529.db2.gz JUPMBKTZHURUPD-APWZRJJASA-N 1 2 338.451 3.854 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837912 1026317622 /nfs/dbraw/zinc/31/76/22/1026317622.db2.gz MJQRFAKLZGPPQW-NUJGCVRESA-N 1 2 330.472 3.986 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837912 1026317636 /nfs/dbraw/zinc/31/76/36/1026317636.db2.gz MJQRFAKLZGPPQW-NUJGCVRESA-N 1 2 330.472 3.986 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CCCC1 ZINC000451859360 1026331833 /nfs/dbraw/zinc/33/18/33/1026331833.db2.gz SUHANQNNDAKOBS-LJQANCHMSA-N 1 2 330.472 3.986 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CCCC1 ZINC000451859360 1026331847 /nfs/dbraw/zinc/33/18/47/1026331847.db2.gz SUHANQNNDAKOBS-LJQANCHMSA-N 1 2 330.472 3.986 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000122283370 1026344313 /nfs/dbraw/zinc/34/43/13/1026344313.db2.gz GZVWQIIFXBGCQS-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO Cc1cccn2c(CNc3cc(C(=O)NCC4CC4)ccc3C)c[nH+]c12 ZINC000190357789 1026359075 /nfs/dbraw/zinc/35/90/75/1026359075.db2.gz YSXBCOQJAYPJAB-UHFFFAOYSA-N 1 2 348.450 3.703 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897105623 1026365916 /nfs/dbraw/zinc/36/59/16/1026365916.db2.gz CRPRKPLOPAMNEL-HZPDHXFCSA-N 1 2 327.428 3.537 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)o1 ZINC000451962959 1026399756 /nfs/dbraw/zinc/39/97/56/1026399756.db2.gz XSYFMVSCKCNNQN-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)n1C ZINC000451967950 1026405279 /nfs/dbraw/zinc/40/52/79/1026405279.db2.gz RYMPECNUJJIYTN-UHFFFAOYSA-N 1 2 348.441 3.671 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1scnc1C ZINC000158978622 1026427275 /nfs/dbraw/zinc/42/72/75/1026427275.db2.gz MDSKFZDQNOVPKP-UHFFFAOYSA-N 1 2 330.457 3.840 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cccc(COCc3ccco3)c2)[nH+]1 ZINC000530956594 1026443785 /nfs/dbraw/zinc/44/37/85/1026443785.db2.gz RZAVHSCFJIAPPK-UHFFFAOYSA-N 1 2 348.406 3.610 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000475302449 1026456104 /nfs/dbraw/zinc/45/61/04/1026456104.db2.gz MEESTWNXGFXZPX-UFUQCMIWSA-N 1 2 334.463 3.648 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cnc(C(C)(C)C)s2)oc1C ZINC000122433241 1026465706 /nfs/dbraw/zinc/46/57/06/1026465706.db2.gz ZOFRDWAVEZAVDS-UHFFFAOYSA-N 1 2 336.457 3.761 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cnc(C(C)(C)C)s2)oc1C ZINC000122433241 1026465715 /nfs/dbraw/zinc/46/57/15/1026465715.db2.gz ZOFRDWAVEZAVDS-UHFFFAOYSA-N 1 2 336.457 3.761 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000531011469 1026483002 /nfs/dbraw/zinc/48/30/02/1026483002.db2.gz ONUBVPZHNDFJPP-SFHVURJKSA-N 1 2 326.371 3.958 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(N4CCCC4)nc[nH+]3)CCO2)cc1 ZINC000277671567 1026514375 /nfs/dbraw/zinc/51/43/75/1026514375.db2.gz DSXWDZHEQZRYPL-SJORKVTESA-N 1 2 342.418 3.548 20 0 EHADLO Fc1ccc([C@@H]2C[C@H](Nc3cc(N4CCCC4)[nH+]cn3)CCO2)cc1 ZINC000277671567 1026514380 /nfs/dbraw/zinc/51/43/80/1026514380.db2.gz DSXWDZHEQZRYPL-SJORKVTESA-N 1 2 342.418 3.548 20 0 EHADLO Brc1cccc2c1CCN(Cc1cccc3[nH+]ccn31)C2 ZINC000342630575 1026523265 /nfs/dbraw/zinc/52/32/65/1026523265.db2.gz CFFFXIQKLFFALV-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582549766 1026548080 /nfs/dbraw/zinc/54/80/80/1026548080.db2.gz JGRBVLZDXHKCQV-UKRRQHHQSA-N 1 2 339.361 3.953 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(CC)cc1 ZINC000277686068 1026551193 /nfs/dbraw/zinc/55/11/93/1026551193.db2.gz WVNBCLUWMMIAOF-UHFFFAOYSA-N 1 2 341.499 3.879 20 0 EHADLO COC1(C[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CCC1 ZINC000182655476 1026564301 /nfs/dbraw/zinc/56/43/01/1026564301.db2.gz GHWOULVZNIOJHH-SFHVURJKSA-N 1 2 349.434 3.985 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626285 1026610188 /nfs/dbraw/zinc/61/01/88/1026610188.db2.gz UUSYXIDWPKDQEJ-YESZJQIVSA-N 1 2 347.503 3.854 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626285 1026610191 /nfs/dbraw/zinc/61/01/91/1026610191.db2.gz UUSYXIDWPKDQEJ-YESZJQIVSA-N 1 2 347.503 3.854 20 0 EHADLO O=C(C1C[C@H]2CC[C@@H](C1)S2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897365789 1026617391 /nfs/dbraw/zinc/61/73/91/1026617391.db2.gz FSQNEGFSYSWPRZ-AYHJJNSGSA-N 1 2 347.528 3.576 20 0 EHADLO CCCc1occc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684919082 1026617476 /nfs/dbraw/zinc/61/74/76/1026617476.db2.gz XUHRFKYYBYDBGZ-KRWDZBQOSA-N 1 2 337.423 3.679 20 0 EHADLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(Br)cc1 ZINC000452330786 1026662755 /nfs/dbraw/zinc/66/27/55/1026662755.db2.gz AYKNBEZSEDNFAE-NSHDSACASA-N 1 2 348.244 3.724 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000452333768 1026663835 /nfs/dbraw/zinc/66/38/35/1026663835.db2.gz KFPSSGUBBJFTPR-GHMZBOCLSA-N 1 2 333.794 3.754 20 0 EHADLO Cc1cc(C)c(NC(=O)CNc2cc(C)[nH+]c(C(C)C)n2)c(C)c1 ZINC000301055640 1026669960 /nfs/dbraw/zinc/66/99/60/1026669960.db2.gz CRGDEZOXONJZFY-UHFFFAOYSA-N 1 2 326.444 3.884 20 0 EHADLO CC[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000277721652 1026680760 /nfs/dbraw/zinc/68/07/60/1026680760.db2.gz OLZKYDLNXTVXMH-ROUUACIJSA-N 1 2 339.439 3.783 20 0 EHADLO COCc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301091665 1026682341 /nfs/dbraw/zinc/68/23/41/1026682341.db2.gz WRVZWKQNXHBORK-UHFFFAOYSA-N 1 2 345.406 3.574 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531202473 1026684087 /nfs/dbraw/zinc/68/40/87/1026684087.db2.gz YTINZXFGWQHVMB-MRXNPFEDSA-N 1 2 330.457 3.512 20 0 EHADLO O=C(N[C@@H](c1cccs1)C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531202473 1026684091 /nfs/dbraw/zinc/68/40/91/1026684091.db2.gz YTINZXFGWQHVMB-MRXNPFEDSA-N 1 2 330.457 3.512 20 0 EHADLO CCCCn1c(SCC[C@@H]2CCCO2)nnc1[C@H](CC)[NH+](C)C ZINC000188705233 1026717014 /nfs/dbraw/zinc/71/70/14/1026717014.db2.gz ZPFWPTAVWYSKQL-GJZGRUSLSA-N 1 2 340.537 3.752 20 0 EHADLO COCc1cnc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)s1 ZINC000342691986 1026731979 /nfs/dbraw/zinc/73/19/79/1026731979.db2.gz ONLKIXYWJFORFO-KRWDZBQOSA-N 1 2 332.469 3.808 20 0 EHADLO COCc1cnc(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)s1 ZINC000342691986 1026731993 /nfs/dbraw/zinc/73/19/93/1026731993.db2.gz ONLKIXYWJFORFO-KRWDZBQOSA-N 1 2 332.469 3.808 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000657501605 1026788268 /nfs/dbraw/zinc/78/82/68/1026788268.db2.gz YDICKBXJDKUUEO-CWTRNNRKSA-N 1 2 333.378 3.718 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757714 1026814532 /nfs/dbraw/zinc/81/45/32/1026814532.db2.gz MBBUQWGHPUQOLE-MFKMUULPSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)C(F)(F)F ZINC000277757714 1026814545 /nfs/dbraw/zinc/81/45/45/1026814545.db2.gz MBBUQWGHPUQOLE-MFKMUULPSA-N 1 2 325.733 3.614 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1nnc2n1CCCCC2 ZINC000684954561 1026841481 /nfs/dbraw/zinc/84/14/81/1026841481.db2.gz AGBDTLBQSLXEAR-HOTGVXAUSA-N 1 2 325.460 3.518 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000122906197 1026853446 /nfs/dbraw/zinc/85/34/46/1026853446.db2.gz YWYRRWWUFPUUCG-JXFKEZNVSA-N 1 2 348.450 3.612 20 0 EHADLO Cc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)c(O[C@@H]2CCOC2)c1 ZINC000301638680 1026885103 /nfs/dbraw/zinc/88/51/03/1026885103.db2.gz MJFUVNPDZPUTNR-QGZVFWFLSA-N 1 2 341.455 3.997 20 0 EHADLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000025453675 1026891104 /nfs/dbraw/zinc/89/11/04/1026891104.db2.gz FLNRTHRHWBBWAU-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(OCc2cscn2)c1)n1cc[nH+]c1 ZINC001125615078 1026922452 /nfs/dbraw/zinc/92/24/52/1026922452.db2.gz XRJQFYHESBIUHP-ZDUSSCGKSA-N 1 2 342.424 3.508 20 0 EHADLO CN(Cc1ccsc1)c1cc(N(C)Cc2ccsc2)[nH+]cn1 ZINC000301824898 1026952962 /nfs/dbraw/zinc/95/29/62/1026952962.db2.gz ODLLASSGSXMGTL-UHFFFAOYSA-N 1 2 330.482 3.872 20 0 EHADLO CC(C)c1cc(N2CCCN(CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000301836677 1026959083 /nfs/dbraw/zinc/95/90/83/1026959083.db2.gz XLGWAWCAWNFWQD-UHFFFAOYSA-N 1 2 344.425 3.798 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCOc1cccc(Cl)c1 ZINC000301850370 1026964433 /nfs/dbraw/zinc/96/44/33/1026964433.db2.gz ABJCDSLUUIZMDZ-UHFFFAOYSA-N 1 2 345.834 3.726 20 0 EHADLO CCOc1ccc(CN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301856760 1026967773 /nfs/dbraw/zinc/96/77/73/1026967773.db2.gz ZFTVUTYVBXDZTD-UHFFFAOYSA-N 1 2 339.443 3.616 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1ccccc1F)C1CC1 ZINC000301878859 1026976970 /nfs/dbraw/zinc/97/69/70/1026976970.db2.gz JLDKTZYTSGXBOE-UHFFFAOYSA-N 1 2 339.418 3.889 20 0 EHADLO Cc1cccc([C@@H]2CCCN2c2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000301915881 1026993901 /nfs/dbraw/zinc/99/39/01/1026993901.db2.gz IUZAJVZGMGZSBN-INIZCTEOSA-N 1 2 336.443 3.626 20 0 EHADLO CC1(C)C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C(C)(C)O1 ZINC000302025462 1027027056 /nfs/dbraw/zinc/02/70/56/1027027056.db2.gz GOSHHKWMUNCNOT-OAHLLOKOSA-N 1 2 337.427 3.574 20 0 EHADLO Cc1nc(N2CCC(N(C)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000302031361 1027028415 /nfs/dbraw/zinc/02/84/15/1027028415.db2.gz CCTWAAQKAYVTSV-UHFFFAOYSA-N 1 2 336.483 3.769 20 0 EHADLO Cc1ccc(-c2noc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)n2)cc1 ZINC000302048912 1027034814 /nfs/dbraw/zinc/03/48/14/1027034814.db2.gz OEBDGIZPUMMRFC-UHFFFAOYSA-N 1 2 349.369 3.982 20 0 EHADLO Cc1nc(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302096453 1027052337 /nfs/dbraw/zinc/05/23/37/1027052337.db2.gz OHLBSWQQXCBPGY-QZTJIDSGSA-N 1 2 345.393 3.884 20 0 EHADLO OC[C@@H]1CCCCN1c1cc(NCc2cccc3ccccc32)[nH+]cn1 ZINC000302131926 1027064067 /nfs/dbraw/zinc/06/40/67/1027064067.db2.gz YKLSOEAOWYDJEF-SFHVURJKSA-N 1 2 348.450 3.593 20 0 EHADLO OC[C@@H]1CCCCN1c1cc(NCc2cccc3ccccc32)nc[nH+]1 ZINC000302131926 1027064072 /nfs/dbraw/zinc/06/40/72/1027064072.db2.gz YKLSOEAOWYDJEF-SFHVURJKSA-N 1 2 348.450 3.593 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000685010555 1027096316 /nfs/dbraw/zinc/09/63/16/1027096316.db2.gz GSNGEVFOVPQWPR-LBPRGKRZSA-N 1 2 326.425 3.939 20 0 EHADLO CO[C@@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)COCc1ccccc1 ZINC000664235915 1027129961 /nfs/dbraw/zinc/12/99/61/1027129961.db2.gz LAGZPHDPUUCRJN-FQEVSTJZSA-N 1 2 341.455 3.696 20 0 EHADLO CC(C)C1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000501251072 1027154909 /nfs/dbraw/zinc/15/49/09/1027154909.db2.gz YAAFHCRYCMFVCJ-UHFFFAOYSA-N 1 2 325.456 3.876 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C)n1cc[nH+]c1 ZINC000582731121 1027156565 /nfs/dbraw/zinc/15/65/65/1027156565.db2.gz SJBIKWXDTYZJQD-YOEHRIQHSA-N 1 2 347.434 3.583 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553867 1027167922 /nfs/dbraw/zinc/16/79/22/1027167922.db2.gz WPQYUOXOGOPTAY-AWEZNQCLSA-N 1 2 339.370 3.829 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554062 1027168366 /nfs/dbraw/zinc/16/83/66/1027168366.db2.gz RBEJJTSMDBZXTK-LBPRGKRZSA-N 1 2 327.359 3.623 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552496 1027169310 /nfs/dbraw/zinc/16/93/10/1027169310.db2.gz ZVKVNVUYGZFKFP-ZDUSSCGKSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1ccc(C[N@H+](Cc2nc(CC(F)(F)F)no2)C(C)C)s1 ZINC000075647749 1027186755 /nfs/dbraw/zinc/18/67/55/1027186755.db2.gz JJHSHUSHXONVDJ-UHFFFAOYSA-N 1 2 333.379 3.955 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2nc(CC(F)(F)F)no2)C(C)C)s1 ZINC000075647749 1027186759 /nfs/dbraw/zinc/18/67/59/1027186759.db2.gz JJHSHUSHXONVDJ-UHFFFAOYSA-N 1 2 333.379 3.955 20 0 EHADLO CN(C(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)c1ccccc1 ZINC000126301428 1027187223 /nfs/dbraw/zinc/18/72/23/1027187223.db2.gz ZGTRJUGVLHRUEH-UHFFFAOYSA-N 1 2 333.435 3.579 20 0 EHADLO CN(C(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1)c1ccccc1 ZINC000126301428 1027187234 /nfs/dbraw/zinc/18/72/34/1027187234.db2.gz ZGTRJUGVLHRUEH-UHFFFAOYSA-N 1 2 333.435 3.579 20 0 EHADLO CC1(C)CN(c2cc(NCC3CC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000302659461 1027227414 /nfs/dbraw/zinc/22/74/14/1027227414.db2.gz DQGXHUOUIJXRQO-GFCCVEGCSA-N 1 2 328.382 3.713 20 0 EHADLO CC1(C)CN(c2cc(NCC3CC3)nc[nH+]2)CC[C@H]1C(F)(F)F ZINC000302659461 1027227423 /nfs/dbraw/zinc/22/74/23/1027227423.db2.gz DQGXHUOUIJXRQO-GFCCVEGCSA-N 1 2 328.382 3.713 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000014193860 1027231599 /nfs/dbraw/zinc/23/15/99/1027231599.db2.gz IGHFUYQEUYRSLG-SNVBAGLBSA-N 1 2 345.668 3.915 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000014193860 1027231613 /nfs/dbraw/zinc/23/16/13/1027231613.db2.gz IGHFUYQEUYRSLG-SNVBAGLBSA-N 1 2 345.668 3.915 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076074749 1027235526 /nfs/dbraw/zinc/23/55/26/1027235526.db2.gz AXAJUDVTYSMYDA-HIFRSBDPSA-N 1 2 344.484 3.782 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076074746 1027236001 /nfs/dbraw/zinc/23/60/01/1027236001.db2.gz AXAJUDVTYSMYDA-ZFWWWQNUSA-N 1 2 344.484 3.782 20 0 EHADLO C[N@H+](CCOc1ccccc1C(F)(F)F)Cc1nccn1C(F)F ZINC000126815162 1027245573 /nfs/dbraw/zinc/24/55/73/1027245573.db2.gz KFAFNNAXCLBAFU-UHFFFAOYSA-N 1 2 349.303 3.808 20 0 EHADLO C[N@@H+](CCOc1ccccc1C(F)(F)F)Cc1nccn1C(F)F ZINC000126815162 1027245583 /nfs/dbraw/zinc/24/55/83/1027245583.db2.gz KFAFNNAXCLBAFU-UHFFFAOYSA-N 1 2 349.303 3.808 20 0 EHADLO CSCc1cnc(CNc2cc[nH+]c(OCC(F)(F)F)c2)s1 ZINC000453048619 1027262260 /nfs/dbraw/zinc/26/22/60/1027262260.db2.gz OOLXATOUIOUYPP-UHFFFAOYSA-N 1 2 349.403 3.954 20 0 EHADLO C[C@H]1CC[C@@](C)(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1(C)C ZINC000666007064 1027272241 /nfs/dbraw/zinc/27/22/41/1027272241.db2.gz UUZCBKYRJMWYRO-LIRRHRJNSA-N 1 2 332.492 3.761 20 0 EHADLO C[C@H]1CC[C@@](C)(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1(C)C ZINC000666007064 1027272252 /nfs/dbraw/zinc/27/22/52/1027272252.db2.gz UUZCBKYRJMWYRO-LIRRHRJNSA-N 1 2 332.492 3.761 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC([C@H]2CCCO2)CC1 ZINC000302791424 1027293781 /nfs/dbraw/zinc/29/37/81/1027293781.db2.gz YJWVAQMRKWBKKP-QGZVFWFLSA-N 1 2 326.440 3.947 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1C ZINC000302873306 1027337114 /nfs/dbraw/zinc/33/71/14/1027337114.db2.gz CPMKKYUVFIMPEI-SJORKVTESA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cccc([C@@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1C ZINC000302873306 1027337131 /nfs/dbraw/zinc/33/71/31/1027337131.db2.gz CPMKKYUVFIMPEI-SJORKVTESA-N 1 2 340.471 3.618 20 0 EHADLO CSc1cc(C)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302876282 1027339881 /nfs/dbraw/zinc/33/98/81/1027339881.db2.gz FNFSHZHSSQBKEO-UHFFFAOYSA-N 1 2 346.525 3.672 20 0 EHADLO CSc1cc(C)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302876282 1027339895 /nfs/dbraw/zinc/33/98/95/1027339895.db2.gz FNFSHZHSSQBKEO-UHFFFAOYSA-N 1 2 346.525 3.672 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)c2ncnn21 ZINC000657567335 1027349132 /nfs/dbraw/zinc/34/91/32/1027349132.db2.gz PZINVGYGVRCCTO-HNAYVOBHSA-N 1 2 334.423 3.653 20 0 EHADLO CC(C)C[N@H+](Cc1ccnn1C)Cc1ccccc1Br ZINC000501543163 1027355674 /nfs/dbraw/zinc/35/56/74/1027355674.db2.gz XHGGIHGULQLOGH-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO CC(C)C[N@@H+](Cc1ccnn1C)Cc1ccccc1Br ZINC000501543163 1027355677 /nfs/dbraw/zinc/35/56/77/1027355677.db2.gz XHGGIHGULQLOGH-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO Fc1ccccc1OCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000501607511 1027388256 /nfs/dbraw/zinc/38/82/56/1027388256.db2.gz YHCMUJVCPHDUHH-TWGQIWQCSA-N 1 2 340.442 3.536 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(-c4ccccc4)o3)n2)C1 ZINC000273372061 1027401241 /nfs/dbraw/zinc/40/12/41/1027401241.db2.gz VSVOCQDQNSBHRS-KRWDZBQOSA-N 1 2 339.395 3.778 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(-c4ccccc4)o3)n2)C1 ZINC000273372061 1027401252 /nfs/dbraw/zinc/40/12/52/1027401252.db2.gz VSVOCQDQNSBHRS-KRWDZBQOSA-N 1 2 339.395 3.778 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077416418 1027439529 /nfs/dbraw/zinc/43/95/29/1027439529.db2.gz PZEZZPRBHQLHMK-AEFFLSMTSA-N 1 2 344.503 3.709 20 0 EHADLO C[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000273465190 1027442412 /nfs/dbraw/zinc/44/24/12/1027442412.db2.gz DPBFIDJDYKNFDZ-OAHLLOKOSA-N 1 2 332.407 3.811 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ncc(-c2ccccc2)n1C ZINC000453138240 1027443429 /nfs/dbraw/zinc/44/34/29/1027443429.db2.gz HGMJVYVTOGWBHY-RDTXWAMCSA-N 1 2 339.414 3.610 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000128677448 1027468541 /nfs/dbraw/zinc/46/85/41/1027468541.db2.gz LBIAHDDFBCALDJ-FQEVSTJZSA-N 1 2 342.414 3.666 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000128677448 1027468558 /nfs/dbraw/zinc/46/85/58/1027468558.db2.gz LBIAHDDFBCALDJ-FQEVSTJZSA-N 1 2 342.414 3.666 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000128819769 1027483772 /nfs/dbraw/zinc/48/37/72/1027483772.db2.gz JIJRWYKVJAHGHQ-ZDUSSCGKSA-N 1 2 334.872 3.921 20 0 EHADLO COc1ccc([C@H]([NH2+][C@@H](C)c2cccs2)c2nccn2C)cc1 ZINC000129085544 1027517773 /nfs/dbraw/zinc/51/77/73/1027517773.db2.gz IZJOYZJVUXBBTN-GUYCJALGSA-N 1 2 327.453 3.930 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)[C@H]1C=CCCC1 ZINC000501786308 1027533781 /nfs/dbraw/zinc/53/37/81/1027533781.db2.gz POGACTXQGBYDHW-GJZGRUSLSA-N 1 2 338.245 3.704 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1C=CCCC1 ZINC000501786308 1027533795 /nfs/dbraw/zinc/53/37/95/1027533795.db2.gz POGACTXQGBYDHW-GJZGRUSLSA-N 1 2 338.245 3.704 20 0 EHADLO COc1sc(C[NH2+][C@@H](C)c2cscn2)cc1Br ZINC000657600007 1027576772 /nfs/dbraw/zinc/57/67/72/1027576772.db2.gz IBMVEPQOMXYCKP-ZETCQYMHSA-N 1 2 333.276 3.827 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000047679139 1027604548 /nfs/dbraw/zinc/60/45/48/1027604548.db2.gz WWCAXPWUMJDZFL-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cn2c1 ZINC000501907742 1027631620 /nfs/dbraw/zinc/63/16/20/1027631620.db2.gz LYOXOTOLIVXHNH-DOTOQJQBSA-N 1 2 345.512 3.913 20 0 EHADLO C[C@H]1CCN(c2nc(C3CCCCC3)ns2)C[C@H]1n1cc[nH+]c1 ZINC000420604395 1027638762 /nfs/dbraw/zinc/63/87/62/1027638762.db2.gz SFBRNEZIFWVVMD-DZGCQCFKSA-N 1 2 331.489 3.870 20 0 EHADLO CCCNc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000422196002 1027640938 /nfs/dbraw/zinc/64/09/38/1027640938.db2.gz CRTBZBUUGVMSLN-UHFFFAOYSA-N 1 2 326.444 3.520 20 0 EHADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCn2c[nH+]cc2C1 ZINC000130277435 1027652516 /nfs/dbraw/zinc/65/25/16/1027652516.db2.gz ZWIKPPJEBBJVHU-HNNXBMFYSA-N 1 2 329.403 3.655 20 0 EHADLO COc1ccc(NCc2cc(C)[nH+]c3c2CCCC3)c(OC)c1OC ZINC000892302886 1027676832 /nfs/dbraw/zinc/67/68/32/1027676832.db2.gz YFWWSZUQJAARKJ-UHFFFAOYSA-N 1 2 342.439 3.907 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130511554 1027677904 /nfs/dbraw/zinc/67/79/04/1027677904.db2.gz DNZBAUQTEOFJGW-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048467602 1027685749 /nfs/dbraw/zinc/68/57/49/1027685749.db2.gz XBAASRFCIZUGPE-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1C(F)(F)F ZINC000414465681 1027691747 /nfs/dbraw/zinc/69/17/47/1027691747.db2.gz SJTODPICIHCQRW-UHFFFAOYSA-N 1 2 326.366 3.719 20 0 EHADLO O=C(NCCCC1CCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000503263262 1027696156 /nfs/dbraw/zinc/69/61/56/1027696156.db2.gz UUMDRGVJSMJKME-UHFFFAOYSA-N 1 2 344.503 3.842 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000130752474 1027700055 /nfs/dbraw/zinc/70/00/55/1027700055.db2.gz CHISBMDGDHWBDK-HXUWFJFHSA-N 1 2 345.446 3.675 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c[nH+]1 ZINC000897314700 1027705564 /nfs/dbraw/zinc/70/55/64/1027705564.db2.gz AFCQDJAJBJTORN-OAHLLOKOSA-N 1 2 347.846 3.610 20 0 EHADLO CSCc1nc2sc(C)c(C)c2c(NCc2cc[nH+]c(N)c2)n1 ZINC001167617717 1027721008 /nfs/dbraw/zinc/72/10/08/1027721008.db2.gz XOHMOJCIUDIWCI-UHFFFAOYSA-N 1 2 345.497 3.760 20 0 EHADLO CN(CC1CCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455111374 1027722465 /nfs/dbraw/zinc/72/24/65/1027722465.db2.gz RVTVEUSRKRPOBM-UHFFFAOYSA-N 1 2 346.862 3.857 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](C)c2ccc(F)cc2F)cc(C)[nH+]1 ZINC000420785125 1027728031 /nfs/dbraw/zinc/72/80/31/1027728031.db2.gz ABBPQIOQGCGAAT-NSHDSACASA-N 1 2 333.382 3.580 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)cc(C)[nH+]1 ZINC000420823561 1027757382 /nfs/dbraw/zinc/75/73/82/1027757382.db2.gz PQVWBHWBYGSEPZ-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc(C)[nH+]1 ZINC000420851300 1027796010 /nfs/dbraw/zinc/79/60/10/1027796010.db2.gz QQCSZSIXVGIWBM-IBGZPJMESA-N 1 2 341.430 3.754 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000503452823 1027800390 /nfs/dbraw/zinc/80/03/90/1027800390.db2.gz NCYWFZMJKMVGLC-QZTJIDSGSA-N 1 2 344.503 3.696 20 0 EHADLO C[C@H](NCc1csc(-c2ccco2)n1)c1cn2c([nH+]1)CCCC2 ZINC000925281429 1027805097 /nfs/dbraw/zinc/80/50/97/1027805097.db2.gz KAHQWCBUINMMFC-LBPRGKRZSA-N 1 2 328.441 3.787 20 0 EHADLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131836112 1027825537 /nfs/dbraw/zinc/82/55/37/1027825537.db2.gz YNZOQOJEKBTENZ-AZUAARDMSA-N 1 2 347.418 3.522 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000305743475 1027877773 /nfs/dbraw/zinc/87/77/73/1027877773.db2.gz KBOWOPGNRLYIBM-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000305743475 1027877794 /nfs/dbraw/zinc/87/77/94/1027877794.db2.gz KBOWOPGNRLYIBM-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO COc1ccc(Br)cc1SCc1cc[nH+]c(N)c1 ZINC000193090992 1027898791 /nfs/dbraw/zinc/89/87/91/1027898791.db2.gz TVGUBFDVIYBCNE-UHFFFAOYSA-N 1 2 325.231 3.727 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1F ZINC000246171580 1027903931 /nfs/dbraw/zinc/90/39/31/1027903931.db2.gz FPMJXEUZXAGFID-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1F ZINC000246171580 1027903946 /nfs/dbraw/zinc/90/39/46/1027903946.db2.gz FPMJXEUZXAGFID-KUHUBIRLSA-N 1 2 343.398 3.574 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)nc(N)c2c1C ZINC000420955825 1027924161 /nfs/dbraw/zinc/92/41/61/1027924161.db2.gz XDILPPVDVXGNIK-NSHDSACASA-N 1 2 342.365 3.586 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)nc(N)c2c1C ZINC000420955825 1027924178 /nfs/dbraw/zinc/92/41/78/1027924178.db2.gz XDILPPVDVXGNIK-NSHDSACASA-N 1 2 342.365 3.586 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc3c(c2)nc(CC)n3C2CC2)s1 ZINC000894275879 1027939599 /nfs/dbraw/zinc/93/95/99/1027939599.db2.gz ZZYCQZGRSQQPPG-UHFFFAOYSA-N 1 2 341.484 3.637 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000532681691 1027943838 /nfs/dbraw/zinc/94/38/38/1027943838.db2.gz JAPGFXPJIGHQLN-INIZCTEOSA-N 1 2 343.858 3.773 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000532681691 1027943852 /nfs/dbraw/zinc/94/38/52/1027943852.db2.gz JAPGFXPJIGHQLN-INIZCTEOSA-N 1 2 343.858 3.773 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000502196665 1027949511 /nfs/dbraw/zinc/94/95/11/1027949511.db2.gz LNFNNLMGPYVFHJ-SCEWNMGZSA-N 1 2 349.478 3.788 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000132686688 1027954320 /nfs/dbraw/zinc/95/43/20/1027954320.db2.gz AHFGZAMGWNXJLJ-KRWDZBQOSA-N 1 2 331.504 3.808 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@@H](CC)CO)n1 ZINC000347340311 1027965302 /nfs/dbraw/zinc/96/53/02/1027965302.db2.gz OTKBOXPSUVPVGW-ZBFHGGJFSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@@H](CC)CO)n1 ZINC000347340311 1027965315 /nfs/dbraw/zinc/96/53/15/1027965315.db2.gz OTKBOXPSUVPVGW-ZBFHGGJFSA-N 1 2 349.500 3.657 20 0 EHADLO Cc1nc(C(C)(C)[NH2+]CCOc2cc(Cl)ccc2Cl)no1 ZINC000533503666 1027983597 /nfs/dbraw/zinc/98/35/97/1027983597.db2.gz CKKOFFGCTHCVPM-UHFFFAOYSA-N 1 2 330.215 3.589 20 0 EHADLO CCCOc1cccc2c(N[C@H]3CCOC34CCOCC4)cc[nH+]c12 ZINC000897326430 1027998853 /nfs/dbraw/zinc/99/88/53/1027998853.db2.gz HAYNOSQMDODLIB-SFHVURJKSA-N 1 2 342.439 3.774 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000523170529 1028003047 /nfs/dbraw/zinc/00/30/47/1028003047.db2.gz RUCUGPQLIFEMNP-ZWKOTPCHSA-N 1 2 340.471 3.559 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000133430872 1028030397 /nfs/dbraw/zinc/03/03/97/1028030397.db2.gz FDKIGQNBHRFFBR-INIZCTEOSA-N 1 2 343.858 3.773 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000133430872 1028030416 /nfs/dbraw/zinc/03/04/16/1028030416.db2.gz FDKIGQNBHRFFBR-INIZCTEOSA-N 1 2 343.858 3.773 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(C2CC2)n1 ZINC000194827469 1028043760 /nfs/dbraw/zinc/04/37/60/1028043760.db2.gz ZTMSFOKGTPUOQT-UHFFFAOYSA-N 1 2 328.372 3.598 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(F)cc2OCC2CC2)cc(C)[nH+]1 ZINC000421069865 1028053787 /nfs/dbraw/zinc/05/37/87/1028053787.db2.gz VOUIRRRQLRZMNO-UHFFFAOYSA-N 1 2 343.402 3.948 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@@H+](CCO[C@H]1CCCCO1)C2 ZINC000444603507 1028069793 /nfs/dbraw/zinc/06/97/93/1028069793.db2.gz UKVRDESXKCIROP-HNNXBMFYSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1ccc2c(c1Cl)CC[N@H+](CCO[C@H]1CCCCO1)C2 ZINC000444603507 1028069809 /nfs/dbraw/zinc/06/98/09/1028069809.db2.gz UKVRDESXKCIROP-HNNXBMFYSA-N 1 2 330.255 3.895 20 0 EHADLO Cc1cc(CNC(=O)Nc2cnn(CC(C)C)c2C(C)C)cc(C)[nH+]1 ZINC000421093246 1028076884 /nfs/dbraw/zinc/07/68/84/1028076884.db2.gz XRUIDOSNNILRRH-UHFFFAOYSA-N 1 2 343.475 3.996 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1cccc(Oc2ccccc2)c1 ZINC000052130945 1028083259 /nfs/dbraw/zinc/08/32/59/1028083259.db2.gz HMKVGYSMKTWWEQ-UHFFFAOYSA-N 1 2 331.379 3.768 20 0 EHADLO Cc1cccc(C)c1C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000444636967 1028088985 /nfs/dbraw/zinc/08/89/85/1028088985.db2.gz OVOVQIVLRACNRO-INIZCTEOSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1cccc(C)c1C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000444636967 1028089001 /nfs/dbraw/zinc/08/90/01/1028089001.db2.gz OVOVQIVLRACNRO-INIZCTEOSA-N 1 2 329.465 3.839 20 0 EHADLO Cc1cc(CNC(=O)Nc2c(C)cc(N(C)C)cc2C)cc(C)[nH+]1 ZINC000421082582 1028092238 /nfs/dbraw/zinc/09/22/38/1028092238.db2.gz IGMNYRNTTIVMHZ-UHFFFAOYSA-N 1 2 326.444 3.703 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccnn2[C@H](C)CC(C)C)cc(C)[nH+]1 ZINC000421101229 1028106819 /nfs/dbraw/zinc/10/68/19/1028106819.db2.gz SGIIAAAXIOGGKW-OAHLLOKOSA-N 1 2 329.448 3.824 20 0 EHADLO C[C@H](C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646316 1028109287 /nfs/dbraw/zinc/10/92/87/1028109287.db2.gz SBXJBZWACBPWIM-WBVHZDCISA-N 1 2 329.465 3.825 20 0 EHADLO C[C@H](C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646316 1028109300 /nfs/dbraw/zinc/10/93/00/1028109300.db2.gz SBXJBZWACBPWIM-WBVHZDCISA-N 1 2 329.465 3.825 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(OC(F)F)c(F)c2)cc(C)[nH+]1 ZINC000421103807 1028110308 /nfs/dbraw/zinc/11/03/08/1028110308.db2.gz ZPJHXAHFRHWYSL-UHFFFAOYSA-N 1 2 339.317 3.761 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@@H+](CCO[C@@H]1CCCCO1)CC2 ZINC000444652254 1028113358 /nfs/dbraw/zinc/11/33/58/1028113358.db2.gz XJVTZUXXLPKQLK-MRXNPFEDSA-N 1 2 330.255 3.895 20 0 EHADLO Clc1cc(Cl)c2c(c1)C[N@H+](CCO[C@@H]1CCCCO1)CC2 ZINC000444652254 1028113368 /nfs/dbraw/zinc/11/33/68/1028113368.db2.gz XJVTZUXXLPKQLK-MRXNPFEDSA-N 1 2 330.255 3.895 20 0 EHADLO COc1cc(SC)ccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421109227 1028115657 /nfs/dbraw/zinc/11/56/57/1028115657.db2.gz OSEXURLXPJLRKT-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152493875 1028130088 /nfs/dbraw/zinc/13/00/88/1028130088.db2.gz XUGNUJYXWVJSNN-HUUCEWRRSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152493875 1028130098 /nfs/dbraw/zinc/13/00/98/1028130098.db2.gz XUGNUJYXWVJSNN-HUUCEWRRSA-N 1 2 326.843 3.777 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCc1ccc2ccccc2c1)c1ccco1 ZINC000444673821 1028144473 /nfs/dbraw/zinc/14/44/73/1028144473.db2.gz JGRUOBLZQDDSIK-HXUWFJFHSA-N 1 2 349.430 3.949 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCc1ccc2ccccc2c1)c1ccco1 ZINC000444673821 1028144482 /nfs/dbraw/zinc/14/44/82/1028144482.db2.gz JGRUOBLZQDDSIK-HXUWFJFHSA-N 1 2 349.430 3.949 20 0 EHADLO CC(C)(c1ccccc1)C1(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000582890294 1028159519 /nfs/dbraw/zinc/15/95/19/1028159519.db2.gz YBUFEQBTPRDISZ-UHFFFAOYSA-N 1 2 348.450 3.644 20 0 EHADLO CCC(CC)(Cc1nc2ccccc2s1)c1nc(C[NH2+]C)no1 ZINC000414504794 1028177028 /nfs/dbraw/zinc/17/70/28/1028177028.db2.gz TZDJHHUZFXGMRT-UHFFFAOYSA-N 1 2 330.457 3.699 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444706607 1028183977 /nfs/dbraw/zinc/18/39/77/1028183977.db2.gz NWNJNZOOGYEFKF-CQSZACIVSA-N 1 2 332.394 3.838 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000444706607 1028183985 /nfs/dbraw/zinc/18/39/85/1028183985.db2.gz NWNJNZOOGYEFKF-CQSZACIVSA-N 1 2 332.394 3.838 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709734 1028188861 /nfs/dbraw/zinc/18/88/61/1028188861.db2.gz RAAKXZNJQUVGLF-GJZGRUSLSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709734 1028188867 /nfs/dbraw/zinc/18/88/67/1028188867.db2.gz RAAKXZNJQUVGLF-GJZGRUSLSA-N 1 2 346.421 3.971 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NC1CC1 ZINC000532693678 1028188914 /nfs/dbraw/zinc/18/89/14/1028188914.db2.gz OSPNZIQCMOYSEE-OAHLLOKOSA-N 1 2 326.362 3.511 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NC1CC1 ZINC000532693678 1028188924 /nfs/dbraw/zinc/18/89/24/1028188924.db2.gz OSPNZIQCMOYSEE-OAHLLOKOSA-N 1 2 326.362 3.511 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3cc(C)cc(C)c3)n2)cc1 ZINC000444716977 1028208215 /nfs/dbraw/zinc/20/82/15/1028208215.db2.gz QXDQWFYVVBKFTL-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3cc(C)cc(C)c3)n2)cc1 ZINC000444716977 1028208230 /nfs/dbraw/zinc/20/82/30/1028208230.db2.gz QXDQWFYVVBKFTL-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000153562118 1028211401 /nfs/dbraw/zinc/21/14/01/1028211401.db2.gz ZLTQGFGBRUIQQB-CXAGYDPISA-N 1 2 345.830 3.659 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444727078 1028220869 /nfs/dbraw/zinc/22/08/69/1028220869.db2.gz PJOLBMATFCYWDZ-YOEHRIQHSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444727078 1028220882 /nfs/dbraw/zinc/22/08/82/1028220882.db2.gz PJOLBMATFCYWDZ-YOEHRIQHSA-N 1 2 339.863 3.835 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)s1 ZINC000135931841 1028225688 /nfs/dbraw/zinc/22/56/88/1028225688.db2.gz UXHOYFAWUBNYSF-LLVKDONJSA-N 1 2 344.465 3.578 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCNc2ccccc2F)c(C)[nH+]1 ZINC000455497239 1028230730 /nfs/dbraw/zinc/23/07/30/1028230730.db2.gz PXBYWLRXIGJZQZ-UHFFFAOYSA-N 1 2 330.407 3.770 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(F)F ZINC000454273525 1028246898 /nfs/dbraw/zinc/24/68/98/1028246898.db2.gz HCMIVHCWBQYVBP-ZYHUDNBSSA-N 1 2 346.447 3.540 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(F)F ZINC000454273525 1028246914 /nfs/dbraw/zinc/24/69/14/1028246914.db2.gz HCMIVHCWBQYVBP-ZYHUDNBSSA-N 1 2 346.447 3.540 20 0 EHADLO CCOC(=O)Cc1cccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455483511 1028250916 /nfs/dbraw/zinc/25/09/16/1028250916.db2.gz IYZMGFBMIQKEDC-UHFFFAOYSA-N 1 2 341.411 3.756 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Br)s2)n1C1CC1 ZINC000444766081 1028251165 /nfs/dbraw/zinc/25/11/65/1028251165.db2.gz KVPRCPJEJZQHOV-QMMMGPOBSA-N 1 2 341.278 3.596 20 0 EHADLO Cc1csc(CCCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000455485192 1028254640 /nfs/dbraw/zinc/25/46/40/1028254640.db2.gz QTCNYDMXUBKOMV-UHFFFAOYSA-N 1 2 332.473 3.916 20 0 EHADLO COCCN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455488947 1028258663 /nfs/dbraw/zinc/25/86/63/1028258663.db2.gz VDFVMFWCLRCMMJ-UHFFFAOYSA-N 1 2 327.428 3.687 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421326548 1028268269 /nfs/dbraw/zinc/26/82/69/1028268269.db2.gz GXAOIDDCNNYDJV-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO CCOc1ccc(-c2nc(C[NH2+][C@H]3CCCn4nccc43)co2)cc1 ZINC000640219630 1028273071 /nfs/dbraw/zinc/27/30/71/1028273071.db2.gz FVGXYHSYVIPKMY-KRWDZBQOSA-N 1 2 338.411 3.562 20 0 EHADLO CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455503089 1028278707 /nfs/dbraw/zinc/27/87/07/1028278707.db2.gz VLGOOXAXRCJSST-GOSISDBHSA-N 1 2 341.455 3.812 20 0 EHADLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(Br)cc2)nn1C ZINC000421332828 1028301853 /nfs/dbraw/zinc/30/18/53/1028301853.db2.gz MIPSHEIHAUZWOO-VIFPVBQESA-N 1 2 342.668 3.995 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)s1 ZINC000195674022 1028307045 /nfs/dbraw/zinc/30/70/45/1028307045.db2.gz DFSYKRZMQOWPND-UHFFFAOYSA-N 1 2 348.899 3.976 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1nn(C)c(C)c1Cl ZINC000421358393 1028308005 /nfs/dbraw/zinc/30/80/05/1028308005.db2.gz STLNHYSIONCLOO-HNNXBMFYSA-N 1 2 335.883 3.839 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1nn(C)c(C)c1Cl ZINC000421358393 1028308024 /nfs/dbraw/zinc/30/80/24/1028308024.db2.gz STLNHYSIONCLOO-HNNXBMFYSA-N 1 2 335.883 3.839 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000056184989 1028312634 /nfs/dbraw/zinc/31/26/34/1028312634.db2.gz MULSPRFTSHRUAG-NRFANRHFSA-N 1 2 346.430 3.582 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000455536878 1028312661 /nfs/dbraw/zinc/31/26/61/1028312661.db2.gz CAFFQVSRTGXOPT-MRXNPFEDSA-N 1 2 327.403 3.537 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000455536874 1028313230 /nfs/dbraw/zinc/31/32/30/1028313230.db2.gz CAFFQVSRTGXOPT-INIZCTEOSA-N 1 2 327.403 3.537 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@](C)(c3ccccc3)C2)c[nH+]1 ZINC000455535816 1028313831 /nfs/dbraw/zinc/31/38/31/1028313831.db2.gz BMGHPZOVJWCDPZ-OAQYLSRUSA-N 1 2 337.467 3.962 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475615874 1028378156 /nfs/dbraw/zinc/37/81/56/1028378156.db2.gz MALSZDVRVWIWNH-SMDDNHRTSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]2(CCOC2)O1 ZINC000475615874 1028378171 /nfs/dbraw/zinc/37/81/71/1028378171.db2.gz MALSZDVRVWIWNH-SMDDNHRTSA-N 1 2 335.391 3.537 20 0 EHADLO c1ccc(N[C@@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000153619141 1028379831 /nfs/dbraw/zinc/37/98/31/1028379831.db2.gz LLNDRRWNENDZKV-GOSISDBHSA-N 1 2 337.471 3.548 20 0 EHADLO c1ccc(N[C@@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000153619141 1028379847 /nfs/dbraw/zinc/37/98/47/1028379847.db2.gz LLNDRRWNENDZKV-GOSISDBHSA-N 1 2 337.471 3.548 20 0 EHADLO Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc[nH+]1 ZINC000475920293 1028388513 /nfs/dbraw/zinc/38/85/13/1028388513.db2.gz POXXJHVOZCVJKM-UHFFFAOYSA-N 1 2 329.359 3.872 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c1 ZINC000421520490 1028505602 /nfs/dbraw/zinc/50/56/02/1028505602.db2.gz GMOWSDGLFSLYHQ-DMUMMCEESA-N 1 2 337.467 3.794 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c[nH+]1 ZINC000455568936 1028515427 /nfs/dbraw/zinc/51/54/27/1028515427.db2.gz JUVHQTYYCXVHDS-GXTWGEPZSA-N 1 2 329.366 3.571 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162256671 1028535035 /nfs/dbraw/zinc/53/50/35/1028535035.db2.gz RBBUPRVRZPEQRY-GFCCVEGCSA-N 1 2 340.414 3.571 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)Cc2ccccc2C)c[nH+]1 ZINC000455571981 1028566537 /nfs/dbraw/zinc/56/65/37/1028566537.db2.gz OBRIMOOMJLQORL-QGZVFWFLSA-N 1 2 325.456 3.779 20 0 EHADLO CCn1ncc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1-c1ccccc1 ZINC000421574878 1028568542 /nfs/dbraw/zinc/56/85/42/1028568542.db2.gz HYPXYNWIWFJUSJ-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3cc(C)[nH+]c(C)c3)s2)o1 ZINC000421575665 1028569669 /nfs/dbraw/zinc/56/96/69/1028569669.db2.gz KNSWRJUGEMKDOY-UHFFFAOYSA-N 1 2 341.436 3.962 20 0 EHADLO Cc1cc(CNC(=O)CCCOc2ccccc2Cl)cc(C)[nH+]1 ZINC000421577563 1028571330 /nfs/dbraw/zinc/57/13/30/1028571330.db2.gz PKMJAHURXMRPRU-UHFFFAOYSA-N 1 2 332.831 3.827 20 0 EHADLO CCc1onc(-c2ccccc2)c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581007 1028575540 /nfs/dbraw/zinc/57/55/40/1028575540.db2.gz XLMSZXJZWSRLRD-UHFFFAOYSA-N 1 2 335.407 3.846 20 0 EHADLO Cc1cc(C[NH+](CCc2ccccc2F)Cc2cc(C)no2)on1 ZINC000073804963 1028581254 /nfs/dbraw/zinc/58/12/54/1028581254.db2.gz XQCZDFVNXULSRA-UHFFFAOYSA-N 1 2 329.375 3.663 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423714342 1028582169 /nfs/dbraw/zinc/58/21/69/1028582169.db2.gz RZYQMGPSKQXDMD-KRWDZBQOSA-N 1 2 334.366 3.741 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@]2(C)CC=CCC2)c1)[NH+]1CCOCC1 ZINC000459389528 1028611146 /nfs/dbraw/zinc/61/11/46/1028611146.db2.gz QVLFPERTWITBQA-UZLBHIALSA-N 1 2 343.471 3.700 20 0 EHADLO CCCCc1nc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000270387627 1028621255 /nfs/dbraw/zinc/62/12/55/1028621255.db2.gz FPLYGJKVYISRLF-UHFFFAOYSA-N 1 2 349.438 3.940 20 0 EHADLO Cc1csc2c1ncnc2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000195343729 1028632434 /nfs/dbraw/zinc/63/24/34/1028632434.db2.gz DACYKYKBEBXBLO-UHFFFAOYSA-N 1 2 325.441 3.607 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cccc3cc[nH]c32)c2nccn2C)cc1 ZINC000237361376 1028648507 /nfs/dbraw/zinc/64/85/07/1028648507.db2.gz RHBAREZPHPIVNN-FQEVSTJZSA-N 1 2 346.434 3.789 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)C[NH+]2CC(C)(C)C2)s1 ZINC000566435550 1028655602 /nfs/dbraw/zinc/65/56/02/1028655602.db2.gz KIVVOPBWIWGFAC-UHFFFAOYSA-N 1 2 332.469 3.520 20 0 EHADLO Cc1cccc(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC000583053644 1028668683 /nfs/dbraw/zinc/66/86/83/1028668683.db2.gz MYPVILYYTRKNSE-UHFFFAOYSA-N 1 2 339.826 3.693 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428568299 1028690150 /nfs/dbraw/zinc/69/01/50/1028690150.db2.gz CVXGJIZMJODSMB-CVEARBPZSA-N 1 2 332.492 3.577 20 0 EHADLO COc1cc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc(OC)c1C(C)C ZINC000897337666 1028694317 /nfs/dbraw/zinc/69/43/17/1028694317.db2.gz BSGUMYUBHWQTNN-UHFFFAOYSA-N 1 2 345.443 3.706 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246881320 1028707740 /nfs/dbraw/zinc/70/77/40/1028707740.db2.gz FYLREQFQBPSHBJ-HZPDHXFCSA-N 1 2 333.476 3.897 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246881320 1028707756 /nfs/dbraw/zinc/70/77/56/1028707756.db2.gz FYLREQFQBPSHBJ-HZPDHXFCSA-N 1 2 333.476 3.897 20 0 EHADLO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)cc1 ZINC000523936762 1028724160 /nfs/dbraw/zinc/72/41/60/1028724160.db2.gz INFGJMMJMVWFFU-OALUTQOASA-N 1 2 329.444 3.678 20 0 EHADLO Cc1ccc(-n2nc(C(=O)Nc3cc[nH+]c(C)c3)c3c2CCC3)cc1 ZINC000075696415 1028764882 /nfs/dbraw/zinc/76/48/82/1028764882.db2.gz VXECWWBGALRJKZ-UHFFFAOYSA-N 1 2 332.407 3.625 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122909375 1028768939 /nfs/dbraw/zinc/76/89/39/1028768939.db2.gz HSFGTKXNFWJQBC-JTDSTZFVSA-N 1 2 341.455 3.784 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@@H](C)CC3)c(=S)n2C)cc1 ZINC000052085798 1028771910 /nfs/dbraw/zinc/77/19/10/1028771910.db2.gz FLAYFZOYVKWCQT-CQSZACIVSA-N 1 2 346.500 3.706 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@@H](C)CC3)c(=S)n2C)cc1 ZINC000052085798 1028771922 /nfs/dbraw/zinc/77/19/22/1028771922.db2.gz FLAYFZOYVKWCQT-CQSZACIVSA-N 1 2 346.500 3.706 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245537244 1028780764 /nfs/dbraw/zinc/78/07/64/1028780764.db2.gz IQPKJKMUASUHOK-PBHICJAKSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245537244 1028780777 /nfs/dbraw/zinc/78/07/77/1028780777.db2.gz IQPKJKMUASUHOK-PBHICJAKSA-N 1 2 345.874 3.995 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247372168 1028783520 /nfs/dbraw/zinc/78/35/20/1028783520.db2.gz HSVFNTYYKCYXAP-LMMKCTJWSA-N 1 2 340.471 3.588 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000524069990 1028815758 /nfs/dbraw/zinc/81/57/58/1028815758.db2.gz KHNMHTADANPRHL-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000524069990 1028815770 /nfs/dbraw/zinc/81/57/70/1028815770.db2.gz KHNMHTADANPRHL-HXUWFJFHSA-N 1 2 329.415 3.977 20 0 EHADLO COc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000532779216 1028824934 /nfs/dbraw/zinc/82/49/34/1028824934.db2.gz RSQOWZMZCZOXNO-OAHLLOKOSA-N 1 2 346.814 3.809 20 0 EHADLO COc1ncc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000532779216 1028824952 /nfs/dbraw/zinc/82/49/52/1028824952.db2.gz RSQOWZMZCZOXNO-OAHLLOKOSA-N 1 2 346.814 3.809 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)c[nH+]1 ZINC000454380444 1028828787 /nfs/dbraw/zinc/82/87/87/1028828787.db2.gz JHWMAJCBJLPSLR-KRWDZBQOSA-N 1 2 329.831 3.839 20 0 EHADLO c1cn(Cc2cccc(-c3nc(C4Cc5ccccc5C4)no3)c2)c[nH+]1 ZINC000514690585 1028845438 /nfs/dbraw/zinc/84/54/38/1028845438.db2.gz GKIMLULLHYHJHQ-UHFFFAOYSA-N 1 2 342.402 3.864 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)[C@H]3CCc4ccccc43)no2)cc1 ZINC000248245170 1028862583 /nfs/dbraw/zinc/86/25/83/1028862583.db2.gz LJUOIZRVUAQMSG-SFHVURJKSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCc4ccccc43)no2)cc1 ZINC000248245170 1028862606 /nfs/dbraw/zinc/86/26/06/1028862606.db2.gz LJUOIZRVUAQMSG-SFHVURJKSA-N 1 2 335.407 3.865 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000424173492 1028871161 /nfs/dbraw/zinc/87/11/61/1028871161.db2.gz DWJWGTSZVCMKAL-UHFFFAOYSA-N 1 2 348.878 3.562 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000123315156 1028879706 /nfs/dbraw/zinc/87/97/06/1028879706.db2.gz QITWRIQDFIVULH-YTQUADARSA-N 1 2 325.456 3.732 20 0 EHADLO O=[S@@](C/C=C\c1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445538716 1028899000 /nfs/dbraw/zinc/89/90/00/1028899000.db2.gz NFJCUKKESUZQTN-QOCFUJJPSA-N 1 2 336.460 3.894 20 0 EHADLO CCOC(=O)Cc1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000583122792 1028903600 /nfs/dbraw/zinc/90/36/00/1028903600.db2.gz ADZKJTSTWAFMQF-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000079591837 1028905156 /nfs/dbraw/zinc/90/51/56/1028905156.db2.gz PLMCZXWHVDRLFM-UHFFFAOYSA-N 1 2 345.874 3.509 20 0 EHADLO Cc1cccc2c(-c3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)coc21 ZINC000424215852 1028908756 /nfs/dbraw/zinc/90/87/56/1028908756.db2.gz HHYISESGCOISEV-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cccc2c(-c3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)coc21 ZINC000424215852 1028908767 /nfs/dbraw/zinc/90/87/67/1028908767.db2.gz HHYISESGCOISEV-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO O=S(=O)(Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1Cl ZINC000445560619 1028922722 /nfs/dbraw/zinc/92/27/22/1028922722.db2.gz YSKKGYDGGYPBRK-UHFFFAOYSA-N 1 2 346.839 3.559 20 0 EHADLO CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454446666 1028934495 /nfs/dbraw/zinc/93/44/95/1028934495.db2.gz YAURHTWSQVTIAO-SFHVURJKSA-N 1 2 339.439 3.584 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000162538908 1028951884 /nfs/dbraw/zinc/95/18/84/1028951884.db2.gz AHMQBEHEJBUVJX-CQSZACIVSA-N 1 2 342.468 3.580 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000162538908 1028951897 /nfs/dbraw/zinc/95/18/97/1028951897.db2.gz AHMQBEHEJBUVJX-CQSZACIVSA-N 1 2 342.468 3.580 20 0 EHADLO C[C@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1cnn(C)c1 ZINC000153990209 1028954640 /nfs/dbraw/zinc/95/46/40/1028954640.db2.gz WQIGWIDVBJJEBO-YWZLYKJASA-N 1 2 345.450 3.747 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414560667 1028967273 /nfs/dbraw/zinc/96/72/73/1028967273.db2.gz XJXAIXFLNWNJJQ-UHFFFAOYSA-N 1 2 345.468 3.661 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)s1 ZINC000424330041 1028978022 /nfs/dbraw/zinc/97/80/22/1028978022.db2.gz QBXUWQCDIKFXDH-PSASIEDQSA-N 1 2 339.486 3.669 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1c(F)cccc1Cl ZINC000532872976 1028987489 /nfs/dbraw/zinc/98/74/89/1028987489.db2.gz NHJSZPGUCKGNNV-KGLIPLIRSA-N 1 2 348.849 3.877 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350195 1028997428 /nfs/dbraw/zinc/99/74/28/1028997428.db2.gz ANNYPXIQOXETAK-TZMCWYRMSA-N 1 2 328.441 3.719 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350195 1028997440 /nfs/dbraw/zinc/99/74/40/1028997440.db2.gz ANNYPXIQOXETAK-TZMCWYRMSA-N 1 2 328.441 3.719 20 0 EHADLO C[C@H]1C[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000245679429 1028998158 /nfs/dbraw/zinc/99/81/58/1028998158.db2.gz IMILIHWDTPRPJY-MNZLEMJZSA-N 1 2 325.456 3.620 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cnn4ccccc34)C2)c1 ZINC000503032252 1029000131 /nfs/dbraw/zinc/00/01/31/1029000131.db2.gz LFVHLIVSVIOJHD-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cnn4ccccc34)C2)c1 ZINC000503032252 1029000135 /nfs/dbraw/zinc/00/01/35/1029000135.db2.gz LFVHLIVSVIOJHD-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO CC(C)C(C)(C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367236532 1029005729 /nfs/dbraw/zinc/00/57/29/1029005729.db2.gz GFERFLSFACULKR-INIZCTEOSA-N 1 2 346.519 3.791 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC(F)(c4ccccc4)CC3)ccn12 ZINC000583153344 1029020496 /nfs/dbraw/zinc/02/04/96/1029020496.db2.gz KDANWDCWJXANIW-UHFFFAOYSA-N 1 2 337.398 3.744 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000796681939 1029051615 /nfs/dbraw/zinc/05/16/15/1029051615.db2.gz HOGLFRCURXBKLC-MRXNPFEDSA-N 1 2 349.475 3.821 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000796681939 1029051627 /nfs/dbraw/zinc/05/16/27/1029051627.db2.gz HOGLFRCURXBKLC-MRXNPFEDSA-N 1 2 349.475 3.821 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(OC(F)F)c2cccnc12)n1cc[nH+]c1 ZINC001269638359 1029059187 /nfs/dbraw/zinc/05/91/87/1029059187.db2.gz UIMWHKSZRMUVIV-LLVKDONJSA-N 1 2 346.337 3.623 20 0 EHADLO COc1ccc(SCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000077030118 1029072505 /nfs/dbraw/zinc/07/25/05/1029072505.db2.gz QACBXXAJPUBPJI-UHFFFAOYSA-N 1 2 339.420 3.612 20 0 EHADLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000583166364 1029081544 /nfs/dbraw/zinc/08/15/44/1029081544.db2.gz NYUYVXZPLYDLDO-YSVLISHTSA-N 1 2 343.858 3.947 20 0 EHADLO Cc1cccc2c(C(=O)N3CC[NH+](Cc4cccs4)CC3)coc21 ZINC000424543903 1029114090 /nfs/dbraw/zinc/11/40/90/1029114090.db2.gz ONXIAXRXUDVZKT-UHFFFAOYSA-N 1 2 340.448 3.761 20 0 EHADLO CC[C@](C)(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000664395003 1029135592 /nfs/dbraw/zinc/13/55/92/1029135592.db2.gz QBGZODRWTFNILY-KRWDZBQOSA-N 1 2 336.505 3.829 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cs1 ZINC000271724629 1029140187 /nfs/dbraw/zinc/14/01/87/1029140187.db2.gz XMBXPOCGAFJHRU-JTQLQIEISA-N 1 2 348.497 3.727 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000252243772 1029180046 /nfs/dbraw/zinc/18/00/46/1029180046.db2.gz KYQLKQBXLKIPOJ-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000252243772 1029180059 /nfs/dbraw/zinc/18/00/59/1029180059.db2.gz KYQLKQBXLKIPOJ-NSHDSACASA-N 1 2 330.338 3.603 20 0 EHADLO Cc1nn2c(C[NH2+][C@H](COCC(C)C)c3ccco3)c(C)nc2s1 ZINC000271815536 1029187417 /nfs/dbraw/zinc/18/74/17/1029187417.db2.gz BKFDKVLQISAVOH-CQSZACIVSA-N 1 2 348.472 3.504 20 0 EHADLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000533016793 1029199856 /nfs/dbraw/zinc/19/98/56/1029199856.db2.gz FDRQWIUCIZEBSB-LBPRGKRZSA-N 1 2 342.842 3.696 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+]C3(c4ccccc4)CC3)nn2)c(Cl)c1 ZINC000535959366 1029206087 /nfs/dbraw/zinc/20/60/87/1029206087.db2.gz NATXHFUZUARRIE-UHFFFAOYSA-N 1 2 342.805 3.839 20 0 EHADLO Cc1ccc(CC[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445535231 1029206184 /nfs/dbraw/zinc/20/61/84/1029206184.db2.gz CBOBTSQQHQFWGA-DEOSSOPVSA-N 1 2 338.476 3.731 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000124387333 1029211790 /nfs/dbraw/zinc/21/17/90/1029211790.db2.gz HYHBLCYUFRSGGR-CJNGLKHVSA-N 1 2 331.485 3.929 20 0 EHADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533049706 1029236011 /nfs/dbraw/zinc/23/60/11/1029236011.db2.gz UQZCGTGESHMXFH-OAHLLOKOSA-N 1 2 328.378 3.757 20 0 EHADLO CC(C)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533049706 1029236021 /nfs/dbraw/zinc/23/60/21/1029236021.db2.gz UQZCGTGESHMXFH-OAHLLOKOSA-N 1 2 328.378 3.757 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000583207919 1029245479 /nfs/dbraw/zinc/24/54/79/1029245479.db2.gz PENKZNFMNYXQHB-KBPBESRZSA-N 1 2 349.837 3.860 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@H]2C)c(C)c1 ZINC000533084530 1029261925 /nfs/dbraw/zinc/26/19/25/1029261925.db2.gz PLATTWXUWDUZGN-MJGOQNOKSA-N 1 2 340.471 3.825 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)no1 ZINC000067718594 1029262631 /nfs/dbraw/zinc/26/26/31/1029262631.db2.gz HZYDKGBDZAHYEX-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ncc(Cc2ccc(F)cc2)s1 ZINC000424721242 1029271939 /nfs/dbraw/zinc/27/19/39/1029271939.db2.gz LTUNSDUYBTWQJP-UHFFFAOYSA-N 1 2 330.432 3.684 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2sccc2Cl)CC1 ZINC000505155472 1029287964 /nfs/dbraw/zinc/28/79/64/1029287964.db2.gz UVFXUZYYJPCMNE-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161800994 1029290975 /nfs/dbraw/zinc/29/09/75/1029290975.db2.gz GAPQNHUUAPXNBY-MDZDMXLPSA-N 1 2 330.347 3.870 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000285644190 1029301857 /nfs/dbraw/zinc/30/18/57/1029301857.db2.gz ZNYSIHGIMTYVAZ-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C)n2C2CC2)cc1 ZINC000154748625 1029305259 /nfs/dbraw/zinc/30/52/59/1029305259.db2.gz GSSQWMNFHBAOTQ-GOSISDBHSA-N 1 2 326.444 3.657 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C)n2C2CC2)cc1 ZINC000154748625 1029305278 /nfs/dbraw/zinc/30/52/78/1029305278.db2.gz GSSQWMNFHBAOTQ-GOSISDBHSA-N 1 2 326.444 3.657 20 0 EHADLO CC(C)N(c1cc[nH+]c(C(C)(C)C)c1)S(=O)(=O)c1ccccc1N ZINC001213166814 1029330232 /nfs/dbraw/zinc/33/02/32/1029330232.db2.gz SCMVGKIOVVJOHM-UHFFFAOYSA-N 1 2 347.484 3.565 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000255172494 1029346840 /nfs/dbraw/zinc/34/68/40/1029346840.db2.gz WWTZUTZYBMCZEI-XQRVVYSFSA-N 1 2 339.414 3.541 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC(C)(c4ccccc4)CC3)[nH+]c12 ZINC000533117152 1029350238 /nfs/dbraw/zinc/35/02/38/1029350238.db2.gz GCOZEBPICUANHN-UHFFFAOYSA-N 1 2 347.462 3.766 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc3ccoc32)no1 ZINC001211571366 1029358076 /nfs/dbraw/zinc/35/80/76/1029358076.db2.gz ROSDQWCNTCBNTE-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cccc3ccoc32)no1 ZINC001211571366 1029358094 /nfs/dbraw/zinc/35/80/94/1029358094.db2.gz ROSDQWCNTCBNTE-KRWDZBQOSA-N 1 2 349.390 3.648 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000078559577 1029362374 /nfs/dbraw/zinc/36/23/74/1029362374.db2.gz IWUVWHNXZZKAMC-UHFFFAOYSA-N 1 2 344.436 3.711 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)N[C@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000343132776 1029380195 /nfs/dbraw/zinc/38/01/95/1029380195.db2.gz QLGNDHRINGDELJ-GFCCVEGCSA-N 1 2 343.456 3.826 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505250053 1029404953 /nfs/dbraw/zinc/40/49/53/1029404953.db2.gz ZGCQITWWSTXXSD-UGQVUOCMSA-N 1 2 348.512 3.574 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505250053 1029404961 /nfs/dbraw/zinc/40/49/61/1029404961.db2.gz ZGCQITWWSTXXSD-UGQVUOCMSA-N 1 2 348.512 3.574 20 0 EHADLO Cn1cc(Br)c(C[NH2+][C@H]2CCCCc3ccccc32)n1 ZINC000393330736 1029406734 /nfs/dbraw/zinc/40/67/34/1029406734.db2.gz ISKBXLQQQNSABF-HNNXBMFYSA-N 1 2 334.261 3.740 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428482681 1029427441 /nfs/dbraw/zinc/42/74/41/1029427441.db2.gz QFVSSQIJERUSMD-FQEVSTJZSA-N 1 2 341.455 3.523 20 0 EHADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428482681 1029427444 /nfs/dbraw/zinc/42/74/44/1029427444.db2.gz QFVSSQIJERUSMD-FQEVSTJZSA-N 1 2 341.455 3.523 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000533241994 1029501988 /nfs/dbraw/zinc/50/19/88/1029501988.db2.gz XSBFAAVBFKSVIE-HZPDHXFCSA-N 1 2 328.431 3.832 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000533241994 1029501998 /nfs/dbraw/zinc/50/19/98/1029501998.db2.gz XSBFAAVBFKSVIE-HZPDHXFCSA-N 1 2 328.431 3.832 20 0 EHADLO Nc1ncc(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000261920002 1029530727 /nfs/dbraw/zinc/53/07/27/1029530727.db2.gz BMFUVKVTKMRCHF-CYBMUJFWSA-N 1 2 325.890 3.669 20 0 EHADLO Nc1ncc(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000261920002 1029530737 /nfs/dbraw/zinc/53/07/37/1029530737.db2.gz BMFUVKVTKMRCHF-CYBMUJFWSA-N 1 2 325.890 3.669 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)C)cc1 ZINC000665924341 1029542234 /nfs/dbraw/zinc/54/22/34/1029542234.db2.gz WFLYNABEMCCEAC-GGPKGHCWSA-N 1 2 339.483 3.990 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cs1 ZINC000272637574 1029544690 /nfs/dbraw/zinc/54/46/90/1029544690.db2.gz XCVRSFOGCOJGSJ-LSDHHAIUSA-N 1 2 332.469 3.751 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cs1 ZINC000272637574 1029544700 /nfs/dbraw/zinc/54/47/00/1029544700.db2.gz XCVRSFOGCOJGSJ-LSDHHAIUSA-N 1 2 332.469 3.751 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434295177 1029552992 /nfs/dbraw/zinc/55/29/92/1029552992.db2.gz XFTHEDBQLGBAAV-UHFFFAOYSA-N 1 2 348.450 3.744 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434295177 1029552997 /nfs/dbraw/zinc/55/29/97/1029552997.db2.gz XFTHEDBQLGBAAV-UHFFFAOYSA-N 1 2 348.450 3.744 20 0 EHADLO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272670477 1029558988 /nfs/dbraw/zinc/55/89/88/1029558988.db2.gz SXWKAZJAVZSXCF-ZDUSSCGKSA-N 1 2 346.406 3.748 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nc2sc3ccccc3n12 ZINC000728562041 1029632006 /nfs/dbraw/zinc/63/20/06/1029632006.db2.gz DBYUQOXBADWNLC-LBPRGKRZSA-N 1 2 330.482 3.912 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CC2)nc2sc3ccccc3n12 ZINC000728562041 1029632017 /nfs/dbraw/zinc/63/20/17/1029632017.db2.gz DBYUQOXBADWNLC-LBPRGKRZSA-N 1 2 330.482 3.912 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000079410773 1029640643 /nfs/dbraw/zinc/64/06/43/1029640643.db2.gz HSLIVGKDGXNZMH-LJQANCHMSA-N 1 2 348.450 3.655 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000079410773 1029640648 /nfs/dbraw/zinc/64/06/48/1029640648.db2.gz HSLIVGKDGXNZMH-LJQANCHMSA-N 1 2 348.450 3.655 20 0 EHADLO O=C(CCCC1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079454977 1029645388 /nfs/dbraw/zinc/64/53/88/1029645388.db2.gz FGUDXOGHHOUIFK-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO C[C@H](O)C[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000524989956 1029648652 /nfs/dbraw/zinc/64/86/52/1029648652.db2.gz CPFATQFEDHDDAO-AWEZNQCLSA-N 1 2 328.437 3.786 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000524989956 1029648657 /nfs/dbraw/zinc/64/86/57/1029648657.db2.gz CPFATQFEDHDDAO-AWEZNQCLSA-N 1 2 328.437 3.786 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000126186644 1029678856 /nfs/dbraw/zinc/67/88/56/1029678856.db2.gz GSFQBGNUFWKUTQ-PKOBYXMFSA-N 1 2 337.467 3.805 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126238116 1029686182 /nfs/dbraw/zinc/68/61/82/1029686182.db2.gz OIKLXHQPUXXQFX-NAVKMHBDSA-N 1 2 327.403 3.535 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000525193891 1029747341 /nfs/dbraw/zinc/74/73/41/1029747341.db2.gz UMYUAFLDVOMOIR-GOSISDBHSA-N 1 2 346.425 3.645 20 0 EHADLO COc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000509686783 1029765942 /nfs/dbraw/zinc/76/59/42/1029765942.db2.gz SJQWJHDWNMDBFB-UZLBHIALSA-N 1 2 339.435 3.730 20 0 EHADLO COc1ccc(C(=O)CC[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000509686783 1029765949 /nfs/dbraw/zinc/76/59/49/1029765949.db2.gz SJQWJHDWNMDBFB-UZLBHIALSA-N 1 2 339.435 3.730 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000080039304 1029812384 /nfs/dbraw/zinc/81/23/84/1029812384.db2.gz IDVSKLJXYMJIQP-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000080039304 1029812388 /nfs/dbraw/zinc/81/23/88/1029812388.db2.gz IDVSKLJXYMJIQP-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000156442954 1029848869 /nfs/dbraw/zinc/84/88/69/1029848869.db2.gz XBNUOHDAJYQSPO-LBPRGKRZSA-N 1 2 348.809 3.665 20 0 EHADLO CCc1noc(C)c1C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000162748875 1029867556 /nfs/dbraw/zinc/86/75/56/1029867556.db2.gz JJYOCDRPQNVEGQ-UHFFFAOYSA-N 1 2 330.428 3.727 20 0 EHADLO CCc1noc(C)c1C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000162748875 1029867563 /nfs/dbraw/zinc/86/75/63/1029867563.db2.gz JJYOCDRPQNVEGQ-UHFFFAOYSA-N 1 2 330.428 3.727 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(F)c1 ZINC000469996928 1029885365 /nfs/dbraw/zinc/88/53/65/1029885365.db2.gz SWLUTRBEFIDUDI-CYBMUJFWSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(F)c1 ZINC000469996928 1029885369 /nfs/dbraw/zinc/88/53/69/1029885369.db2.gz SWLUTRBEFIDUDI-CYBMUJFWSA-N 1 2 332.341 3.735 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000119988791 1029892884 /nfs/dbraw/zinc/89/28/84/1029892884.db2.gz CFBAUTZBLDTFBI-CQSZACIVSA-N 1 2 347.418 3.873 20 0 EHADLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000119988791 1029892890 /nfs/dbraw/zinc/89/28/90/1029892890.db2.gz CFBAUTZBLDTFBI-CQSZACIVSA-N 1 2 347.418 3.873 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3ccnc31)CS2 ZINC000453201102 1029901722 /nfs/dbraw/zinc/90/17/22/1029901722.db2.gz AAWWQTYJGPIHPN-NEPJUHHUSA-N 1 2 336.258 3.527 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)no1 ZINC000481770552 1029936986 /nfs/dbraw/zinc/93/69/86/1029936986.db2.gz XSFPFRRCVUKFOG-ZWKOTPCHSA-N 1 2 343.471 3.652 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)no1 ZINC000481770550 1029938648 /nfs/dbraw/zinc/93/86/48/1029938648.db2.gz XSFPFRRCVUKFOG-QZTJIDSGSA-N 1 2 343.471 3.652 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)sc1C ZINC000470000477 1030024087 /nfs/dbraw/zinc/02/40/87/1030024087.db2.gz QPUJPQALWCCQJR-NSHDSACASA-N 1 2 349.422 3.615 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)sc1C ZINC000470000477 1030024101 /nfs/dbraw/zinc/02/41/01/1030024101.db2.gz QPUJPQALWCCQJR-NSHDSACASA-N 1 2 349.422 3.615 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)no1 ZINC000058525353 1030041575 /nfs/dbraw/zinc/04/15/75/1030041575.db2.gz JTUWIBWXKRRKJD-MRXNPFEDSA-N 1 2 329.444 3.628 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)no1 ZINC000058525353 1030041593 /nfs/dbraw/zinc/04/15/93/1030041593.db2.gz JTUWIBWXKRRKJD-MRXNPFEDSA-N 1 2 329.444 3.628 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc2c(s1)CCC2 ZINC000453299865 1030051370 /nfs/dbraw/zinc/05/13/70/1030051370.db2.gz LEHKBVKTKSJSEH-SECBINFHSA-N 1 2 327.375 3.896 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCC2 ZINC000453305802 1030075268 /nfs/dbraw/zinc/07/52/68/1030075268.db2.gz RPBVPOAVBDMZQR-CQSZACIVSA-N 1 2 325.309 3.802 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000600640970 1030098029 /nfs/dbraw/zinc/09/80/29/1030098029.db2.gz JMZDNOVHWSHYJI-IAGOWNOFSA-N 1 2 325.456 3.530 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120720923 1030100231 /nfs/dbraw/zinc/10/02/31/1030100231.db2.gz SYRKQOWHEGGDDP-RTBURBONSA-N 1 2 330.472 3.914 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000525782720 1030117995 /nfs/dbraw/zinc/11/79/95/1030117995.db2.gz BMNQHQNBBVYLBG-SJORKVTESA-N 1 2 342.458 3.874 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000525782720 1030117999 /nfs/dbraw/zinc/11/79/99/1030117999.db2.gz BMNQHQNBBVYLBG-SJORKVTESA-N 1 2 342.458 3.874 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3C[C@@H](C)S[C@@H](C)C3)o2)cc1C ZINC000525786277 1030123743 /nfs/dbraw/zinc/12/37/43/1030123743.db2.gz IOHGYVJVXVTRQG-TXEJJXNPSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)o2)cc1C ZINC000525786277 1030123749 /nfs/dbraw/zinc/12/37/49/1030123749.db2.gz IOHGYVJVXVTRQG-TXEJJXNPSA-N 1 2 337.514 3.995 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453342991 1030128339 /nfs/dbraw/zinc/12/83/39/1030128339.db2.gz IIWOWUPKKBHJNT-CHWSQXEVSA-N 1 2 344.850 3.549 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000657771544 1030130572 /nfs/dbraw/zinc/13/05/72/1030130572.db2.gz CVOPLVYWMXIJHL-LBPRGKRZSA-N 1 2 331.268 3.836 20 0 EHADLO CC[C@H](O)CN(Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000525832912 1030156360 /nfs/dbraw/zinc/15/63/60/1030156360.db2.gz HGUTZIZSTWYAMP-NRFANRHFSA-N 1 2 335.451 3.709 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc(C)c1F ZINC000531969707 1030173855 /nfs/dbraw/zinc/17/38/55/1030173855.db2.gz VUJNFDVCJAJVJW-SNVBAGLBSA-N 1 2 326.213 3.779 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000531969097 1030175294 /nfs/dbraw/zinc/17/52/94/1030175294.db2.gz UCLMJRMEPJSOSC-QMMMGPOBSA-N 1 2 343.294 3.911 20 0 EHADLO CCc1cncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000447451552 1030202157 /nfs/dbraw/zinc/20/21/57/1030202157.db2.gz NRBCVQPDGHLZFV-UHFFFAOYSA-N 1 2 326.787 3.735 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)c(C)c1 ZINC000525908984 1030216828 /nfs/dbraw/zinc/21/68/28/1030216828.db2.gz GVQHMTVYZUVHGX-SFHVURJKSA-N 1 2 347.462 3.818 20 0 EHADLO CC(C)OCCOC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000449722549 1030219940 /nfs/dbraw/zinc/21/99/40/1030219940.db2.gz DHCHISUPLQSNEF-UHFFFAOYSA-N 1 2 331.378 3.510 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701991 1030287315 /nfs/dbraw/zinc/28/73/15/1030287315.db2.gz IUIGDJOWKAKPRA-PXNSSMCTSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091701991 1030287326 /nfs/dbraw/zinc/28/73/26/1030287326.db2.gz IUIGDJOWKAKPRA-PXNSSMCTSA-N 1 2 339.483 3.978 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091702434 1030289118 /nfs/dbraw/zinc/28/91/18/1030289118.db2.gz QLIMSELVZKAFBV-WMLDXEAASA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702434 1030289131 /nfs/dbraw/zinc/28/91/31/1030289131.db2.gz QLIMSELVZKAFBV-WMLDXEAASA-N 1 2 343.496 3.672 20 0 EHADLO CCC[N@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCCc2cccnc21 ZINC000668003322 1030325024 /nfs/dbraw/zinc/32/50/24/1030325024.db2.gz OANFZCYHZQVHPY-GOSISDBHSA-N 1 2 325.460 3.688 20 0 EHADLO CCC[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCCc2cccnc21 ZINC000668003322 1030325042 /nfs/dbraw/zinc/32/50/42/1030325042.db2.gz OANFZCYHZQVHPY-GOSISDBHSA-N 1 2 325.460 3.688 20 0 EHADLO Cc1ccc(Nc2nnc(SCCn3cc[nH+]c3)s2)cc1C ZINC000121830686 1030402250 /nfs/dbraw/zinc/40/22/50/1030402250.db2.gz ZRENLNUERGMSNE-UHFFFAOYSA-N 1 2 331.470 3.887 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000447679664 1030412827 /nfs/dbraw/zinc/41/28/27/1030412827.db2.gz OJJKSOSGDPPPKY-PWIZWCRZSA-N 1 2 338.451 3.891 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)o1 ZINC000532157232 1030444581 /nfs/dbraw/zinc/44/45/81/1030444581.db2.gz ACXDSVASMLPAMZ-KRWDZBQOSA-N 1 2 334.485 3.985 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)o1 ZINC000532157232 1030444590 /nfs/dbraw/zinc/44/45/90/1030444590.db2.gz ACXDSVASMLPAMZ-KRWDZBQOSA-N 1 2 334.485 3.985 20 0 EHADLO COCCc1noc(C[N@H+](C)[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000151104223 1030486382 /nfs/dbraw/zinc/48/63/82/1030486382.db2.gz XMYJOPPBZOKDJT-CQSZACIVSA-N 1 2 331.460 3.749 20 0 EHADLO COCCc1noc(C[N@@H+](C)[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000151104223 1030486398 /nfs/dbraw/zinc/48/63/98/1030486398.db2.gz XMYJOPPBZOKDJT-CQSZACIVSA-N 1 2 331.460 3.749 20 0 EHADLO Fc1cc(Br)cc([C@@H]([NH2+]Cc2csnn2)C2CC2)c1 ZINC000482508781 1030486576 /nfs/dbraw/zinc/48/65/76/1030486576.db2.gz PIEMVRJNAOGPOS-ZDUSSCGKSA-N 1 2 342.237 3.681 20 0 EHADLO O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000583712199 1030522634 /nfs/dbraw/zinc/52/26/34/1030522634.db2.gz OSRAOYNYWDHCEW-MRXNPFEDSA-N 1 2 331.847 3.550 20 0 EHADLO CCSc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343370114 1030534612 /nfs/dbraw/zinc/53/46/12/1030534612.db2.gz QHUNZHCBNJEZSD-UHFFFAOYSA-N 1 2 338.436 3.691 20 0 EHADLO CC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1c(F)cccc1F ZINC000092935715 1030535203 /nfs/dbraw/zinc/53/52/03/1030535203.db2.gz JGPHTCCXTNKHPX-UHFFFAOYSA-N 1 2 328.366 3.772 20 0 EHADLO CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1c(F)cccc1F ZINC000092935715 1030535216 /nfs/dbraw/zinc/53/52/16/1030535216.db2.gz JGPHTCCXTNKHPX-UHFFFAOYSA-N 1 2 328.366 3.772 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc2sccc2c1 ZINC000343372017 1030552537 /nfs/dbraw/zinc/55/25/37/1030552537.db2.gz WTLBZOVJSDUGGV-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc3c1ccn3C)C2 ZINC000526994148 1030557245 /nfs/dbraw/zinc/55/72/45/1030557245.db2.gz PBJJVDYTGXNROV-CYBMUJFWSA-N 1 2 336.439 3.768 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc3c1ccn3C)CC2 ZINC000526994148 1030557256 /nfs/dbraw/zinc/55/72/56/1030557256.db2.gz PBJJVDYTGXNROV-CYBMUJFWSA-N 1 2 336.439 3.768 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)C2 ZINC000526997346 1030558819 /nfs/dbraw/zinc/55/88/19/1030558819.db2.gz WWMZCYIOUCBDTJ-ARFHVFGLSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)CC2 ZINC000526997346 1030558825 /nfs/dbraw/zinc/55/88/25/1030558825.db2.gz WWMZCYIOUCBDTJ-ARFHVFGLSA-N 1 2 331.504 3.971 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1-c1cn[nH]c1)C2 ZINC000527006935 1030558864 /nfs/dbraw/zinc/55/88/64/1030558864.db2.gz CWZXXOMVTBAEAY-ZDUSSCGKSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1-c1cn[nH]c1)CC2 ZINC000527006935 1030558877 /nfs/dbraw/zinc/55/88/77/1030558877.db2.gz CWZXXOMVTBAEAY-ZDUSSCGKSA-N 1 2 349.438 3.667 20 0 EHADLO Cc1ccc(/C=C\CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343379838 1030580532 /nfs/dbraw/zinc/58/05/32/1030580532.db2.gz WOXUYWFRUZAODT-IHWYPQMZSA-N 1 2 332.407 3.677 20 0 EHADLO C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)CO1 ZINC000575279114 1030613542 /nfs/dbraw/zinc/61/35/42/1030613542.db2.gz DOPPSIDTDAKLPI-DTWKUNHWSA-N 1 2 325.181 3.726 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)cc2c1 ZINC000093458137 1030616473 /nfs/dbraw/zinc/61/64/73/1030616473.db2.gz XZHMCJNNRJELIY-FQEVSTJZSA-N 1 2 339.391 3.721 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCO[C@H](c4cccc(O)c4)C3)cc2c1 ZINC000093458137 1030616481 /nfs/dbraw/zinc/61/64/81/1030616481.db2.gz XZHMCJNNRJELIY-FQEVSTJZSA-N 1 2 339.391 3.721 20 0 EHADLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C(C)C)n1 ZINC000060551518 1030634331 /nfs/dbraw/zinc/63/43/31/1030634331.db2.gz MORFIRYKNGDILX-UHFFFAOYSA-N 1 2 344.890 3.884 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCC3(OC(C)C)CCCCC3)ccn12 ZINC001126938996 1030712867 /nfs/dbraw/zinc/71/28/67/1030712867.db2.gz BEFRPQXWZNFROV-UHFFFAOYSA-N 1 2 329.444 3.500 20 0 EHADLO c1ncc(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)[nH]1 ZINC000360042551 1030721870 /nfs/dbraw/zinc/72/18/70/1030721870.db2.gz WRWRGIPEEITZJZ-OAHLLOKOSA-N 1 2 343.475 3.685 20 0 EHADLO c1ncc(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)[nH]1 ZINC000360042551 1030721886 /nfs/dbraw/zinc/72/18/86/1030721886.db2.gz WRWRGIPEEITZJZ-OAHLLOKOSA-N 1 2 343.475 3.685 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2coc(-c3cccs3)n2)c(C)[nH+]1 ZINC000171653573 1030772148 /nfs/dbraw/zinc/77/21/48/1030772148.db2.gz JSLOJSQLLZGWRG-UHFFFAOYSA-N 1 2 327.409 3.905 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C(F)F)c1 ZINC000550898844 1030779510 /nfs/dbraw/zinc/77/95/10/1030779510.db2.gz LQLMRBZSKRUHHM-XKQJLSEDSA-N 1 2 327.415 3.921 20 0 EHADLO Fc1ccc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)cc1F ZINC000527324098 1030794100 /nfs/dbraw/zinc/79/41/00/1030794100.db2.gz CTXJQDBQDIMRRH-QGZVFWFLSA-N 1 2 342.349 3.651 20 0 EHADLO Cn1ncc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1C1CC1 ZINC000892359674 1030819567 /nfs/dbraw/zinc/81/95/67/1030819567.db2.gz RNXZSERKHZZBAW-UHFFFAOYSA-N 1 2 327.819 3.749 20 0 EHADLO C[N@@H+](Cc1ccc(Br)o1)Cc1c[nH]nc1C(C)(C)C ZINC000130697074 1030835209 /nfs/dbraw/zinc/83/52/09/1030835209.db2.gz AFEFFCMRGYYGSC-UHFFFAOYSA-N 1 2 326.238 3.695 20 0 EHADLO O=C(Cc1ccc(Cl)cc1Cl)NCCCNc1cccc[nH+]1 ZINC000115161159 1030825349 /nfs/dbraw/zinc/82/53/49/1030825349.db2.gz LUWNVYSAFWFEKK-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)n(C(C)(C)C)n1 ZINC000172072673 1030827179 /nfs/dbraw/zinc/82/71/79/1030827179.db2.gz KWWKVTDXAHCRCW-OAHLLOKOSA-N 1 2 340.471 3.504 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)n(C(C)(C)C)n1 ZINC000172072673 1030827191 /nfs/dbraw/zinc/82/71/91/1030827191.db2.gz KWWKVTDXAHCRCW-OAHLLOKOSA-N 1 2 340.471 3.504 20 0 EHADLO C[N@H+](Cc1ccc(Br)o1)Cc1c[nH]nc1C(C)(C)C ZINC000130697074 1030835191 /nfs/dbraw/zinc/83/51/91/1030835191.db2.gz AFEFFCMRGYYGSC-UHFFFAOYSA-N 1 2 326.238 3.695 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000668177264 1030860363 /nfs/dbraw/zinc/86/03/63/1030860363.db2.gz SXDKUJKVCVEXNE-CABCVRRESA-N 1 2 339.277 3.542 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000668177264 1030860392 /nfs/dbraw/zinc/86/03/92/1030860392.db2.gz SXDKUJKVCVEXNE-CABCVRRESA-N 1 2 339.277 3.542 20 0 EHADLO OCc1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000550987814 1030862247 /nfs/dbraw/zinc/86/22/47/1030862247.db2.gz FTCPMBXHAICQGK-UHFFFAOYSA-N 1 2 334.419 3.958 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000668177265 1030862514 /nfs/dbraw/zinc/86/25/14/1030862514.db2.gz SXDKUJKVCVEXNE-GJZGRUSLSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000668177265 1030862538 /nfs/dbraw/zinc/86/25/38/1030862538.db2.gz SXDKUJKVCVEXNE-GJZGRUSLSA-N 1 2 339.277 3.542 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000115600083 1030884105 /nfs/dbraw/zinc/88/41/05/1030884105.db2.gz LXCYOJNVIFWMHX-UKRRQHHQSA-N 1 2 329.469 3.552 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000080540314 1030935678 /nfs/dbraw/zinc/93/56/78/1030935678.db2.gz VSVYLIIBWHDCIG-KRWDZBQOSA-N 1 2 340.471 3.816 20 0 EHADLO FC(F)(F)CCN(Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000448361894 1030988937 /nfs/dbraw/zinc/98/89/37/1030988937.db2.gz JNOAUZJBZOXJGE-UHFFFAOYSA-N 1 2 325.256 3.651 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000172755733 1030993420 /nfs/dbraw/zinc/99/34/20/1030993420.db2.gz ORBVMYQITCDVRL-INIZCTEOSA-N 1 2 349.887 3.732 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000172755733 1030993424 /nfs/dbraw/zinc/99/34/24/1030993424.db2.gz ORBVMYQITCDVRL-INIZCTEOSA-N 1 2 349.887 3.732 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000483151490 1031005747 /nfs/dbraw/zinc/00/57/47/1031005747.db2.gz XLMKYXHZJSUWHB-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000483151490 1031005764 /nfs/dbraw/zinc/00/57/64/1031005764.db2.gz XLMKYXHZJSUWHB-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@H+](CCc3cscn3)CCO2)c1 ZINC000551089960 1031033488 /nfs/dbraw/zinc/03/34/88/1031033488.db2.gz QKNMNVISLGIGIJ-HNNXBMFYSA-N 1 2 342.386 3.778 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCc3cscn3)CCO2)c1 ZINC000551089960 1031033508 /nfs/dbraw/zinc/03/35/08/1031033508.db2.gz QKNMNVISLGIGIJ-HNNXBMFYSA-N 1 2 342.386 3.778 20 0 EHADLO C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000666962345 1031056807 /nfs/dbraw/zinc/05/68/07/1031056807.db2.gz DIMHIJHQIGMBQM-APHBMKBZSA-N 1 2 343.858 3.929 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cnn(CC2CCC2)c1 ZINC000897375540 1031068692 /nfs/dbraw/zinc/06/86/92/1031068692.db2.gz XDOXJALYEGOWIU-OAHLLOKOSA-N 1 2 340.475 3.637 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cnn(CC2CCC2)c1 ZINC000897375540 1031068713 /nfs/dbraw/zinc/06/87/13/1031068713.db2.gz XDOXJALYEGOWIU-OAHLLOKOSA-N 1 2 340.475 3.637 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527646232 1031075733 /nfs/dbraw/zinc/07/57/33/1031075733.db2.gz TWHXWGUTVNEHHJ-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO C[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1cccc(F)c1 ZINC000583903755 1031088488 /nfs/dbraw/zinc/08/84/88/1031088488.db2.gz KLZXIKQHVXZHSL-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cn2ccc(Br)cc2n1)Cc1cccc(F)c1 ZINC000583903755 1031088503 /nfs/dbraw/zinc/08/85/03/1031088503.db2.gz KLZXIKQHVXZHSL-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000583910569 1031102120 /nfs/dbraw/zinc/10/21/20/1031102120.db2.gz DWQXQOATNVMYAI-UHFFFAOYSA-N 1 2 333.391 3.681 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)c1ccco1 ZINC000527691909 1031127411 /nfs/dbraw/zinc/12/74/11/1031127411.db2.gz LQZZJHHTRGZZOC-LLVKDONJSA-N 1 2 346.171 3.534 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(c2cccc(C)c2)CCCCC1 ZINC000278507414 1031151668 /nfs/dbraw/zinc/15/16/68/1031151668.db2.gz AEUXGVKDRALMQK-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000476990782 1031152281 /nfs/dbraw/zinc/15/22/81/1031152281.db2.gz MVLXEPJRPSTDET-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000476990782 1031152287 /nfs/dbraw/zinc/15/22/87/1031152287.db2.gz MVLXEPJRPSTDET-HOTGVXAUSA-N 1 2 340.467 3.516 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(OC)c(F)c3)CCO2)cc1 ZINC000483426830 1031158419 /nfs/dbraw/zinc/15/84/19/1031158419.db2.gz GXWSBZMQISPKNI-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)CCO2)cc1 ZINC000483426830 1031158439 /nfs/dbraw/zinc/15/84/39/1031158439.db2.gz GXWSBZMQISPKNI-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc(O)c3OC)CCO2)cc1 ZINC000483427803 1031159942 /nfs/dbraw/zinc/15/99/42/1031159942.db2.gz LGCHNLDQJPLARE-IBGZPJMESA-N 1 2 327.424 3.537 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc(O)c3OC)CCO2)cc1 ZINC000483427803 1031159951 /nfs/dbraw/zinc/15/99/51/1031159951.db2.gz LGCHNLDQJPLARE-IBGZPJMESA-N 1 2 327.424 3.537 20 0 EHADLO COc1ccc([C@H](C)[N@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000483431872 1031167253 /nfs/dbraw/zinc/16/72/53/1031167253.db2.gz NERKMZBXVMFGMW-ZDUSSCGKSA-N 1 2 331.485 3.943 20 0 EHADLO COc1ccc([C@H](C)[N@@H+](C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000483431872 1031167264 /nfs/dbraw/zinc/16/72/64/1031167264.db2.gz NERKMZBXVMFGMW-ZDUSSCGKSA-N 1 2 331.485 3.943 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000483436397 1031170273 /nfs/dbraw/zinc/17/02/73/1031170273.db2.gz SOBCZKRFGWDIKG-LJQANCHMSA-N 1 2 325.408 3.551 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)cc1 ZINC000483436397 1031170278 /nfs/dbraw/zinc/17/02/78/1031170278.db2.gz SOBCZKRFGWDIKG-LJQANCHMSA-N 1 2 325.408 3.551 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@H](CO)c2c(Cl)cccc2Cl)ccn1 ZINC000551278662 1031188663 /nfs/dbraw/zinc/18/86/63/1031188663.db2.gz TYTGSXNHYMXVMI-QMTHXVAHSA-N 1 2 341.238 3.781 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000174366919 1031204014 /nfs/dbraw/zinc/20/40/14/1031204014.db2.gz KOROORNKUSUJAZ-IAGOWNOFSA-N 1 2 329.469 3.619 20 0 EHADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527754473 1031207022 /nfs/dbraw/zinc/20/70/22/1031207022.db2.gz WTRRMWUKMZAWSH-QMMMGPOBSA-N 1 2 330.176 3.610 20 0 EHADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527754473 1031207035 /nfs/dbraw/zinc/20/70/35/1031207035.db2.gz WTRRMWUKMZAWSH-QMMMGPOBSA-N 1 2 330.176 3.610 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCSc3ccccc3)CCO2)c1 ZINC000483521523 1031208571 /nfs/dbraw/zinc/20/85/71/1031208571.db2.gz YOWLRYPEYRBYTE-LJQANCHMSA-N 1 2 329.465 3.861 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCSc3ccccc3)CCO2)c1 ZINC000483521523 1031208580 /nfs/dbraw/zinc/20/85/80/1031208580.db2.gz YOWLRYPEYRBYTE-LJQANCHMSA-N 1 2 329.465 3.861 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000161958605 1031214323 /nfs/dbraw/zinc/21/43/23/1031214323.db2.gz HFAOCOCTBUYQGR-UHFFFAOYSA-N 1 2 336.435 3.595 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000161958605 1031214332 /nfs/dbraw/zinc/21/43/32/1031214332.db2.gz HFAOCOCTBUYQGR-UHFFFAOYSA-N 1 2 336.435 3.595 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3csc(CCC(C)C)n3)CC2)c1 ZINC000483537705 1031217232 /nfs/dbraw/zinc/21/72/32/1031217232.db2.gz JIBQPIBDQABMOA-UHFFFAOYSA-N 1 2 344.528 3.757 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1Cl ZINC000138897011 1031227818 /nfs/dbraw/zinc/22/78/18/1031227818.db2.gz GEGIEMMAUCRAHV-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1Cl ZINC000138897011 1031227832 /nfs/dbraw/zinc/22/78/32/1031227832.db2.gz GEGIEMMAUCRAHV-KRWDZBQOSA-N 1 2 330.815 3.821 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](c3ccccn3)C3CC3)n2)cc1 ZINC000903090538 1031228599 /nfs/dbraw/zinc/22/85/99/1031228599.db2.gz CRJXTUGYSGXTMP-FQEVSTJZSA-N 1 2 334.423 3.517 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000175056331 1031271728 /nfs/dbraw/zinc/27/17/28/1031271728.db2.gz ISGQADNYFLVFER-BEFAXECRSA-N 1 2 349.434 3.925 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000175056331 1031271741 /nfs/dbraw/zinc/27/17/41/1031271741.db2.gz ISGQADNYFLVFER-BEFAXECRSA-N 1 2 349.434 3.925 20 0 EHADLO CC[N@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000343532690 1031279290 /nfs/dbraw/zinc/27/92/90/1031279290.db2.gz FEKCBHHMSVNYHK-UHFFFAOYSA-N 1 2 343.496 3.744 20 0 EHADLO CC[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000343532690 1031279292 /nfs/dbraw/zinc/27/92/92/1031279292.db2.gz FEKCBHHMSVNYHK-UHFFFAOYSA-N 1 2 343.496 3.744 20 0 EHADLO CC1(C)CNC(=O)c2cc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc21 ZINC001213091984 1031296369 /nfs/dbraw/zinc/29/63/69/1031296369.db2.gz VODUHPYHKUTMDQ-UHFFFAOYSA-N 1 2 332.407 3.841 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175858552 1031358964 /nfs/dbraw/zinc/35/89/64/1031358964.db2.gz WWTZUTZYBMCZEI-GQCTYLIASA-N 1 2 339.414 3.541 20 0 EHADLO CCc1nsc(N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)n1 ZINC000527296760 1031371045 /nfs/dbraw/zinc/37/10/45/1031371045.db2.gz HNWSOSDPKXMDGN-ONEGZZNKSA-N 1 2 348.903 3.589 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cc2ccccc2o1 ZINC000175984957 1031403864 /nfs/dbraw/zinc/40/38/64/1031403864.db2.gz ZPJGIXUXRSJDOQ-HNNXBMFYSA-N 1 2 349.434 3.848 20 0 EHADLO FC(F)C(F)(F)COCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000484005670 1031421359 /nfs/dbraw/zinc/42/13/59/1031421359.db2.gz LQULRWKSCGBBGW-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO FC(F)C(F)(F)COCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000484005670 1031421373 /nfs/dbraw/zinc/42/13/73/1031421373.db2.gz LQULRWKSCGBBGW-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO Cn1ccnc1C([NH2+]C1CCC2(CCCCC2)CC1)c1nccn1C ZINC000527949996 1031481373 /nfs/dbraw/zinc/48/13/73/1031481373.db2.gz VJOPHDJLTBRYKX-UHFFFAOYSA-N 1 2 341.503 3.726 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000347411406 1031498011 /nfs/dbraw/zinc/49/80/11/1031498011.db2.gz AFZJMKYKILPWLE-ZWKOTPCHSA-N 1 2 337.467 3.636 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343588047 1031530882 /nfs/dbraw/zinc/53/08/82/1031530882.db2.gz HIJVXYBMODZQPG-VQTJNVASSA-N 1 2 331.419 3.938 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365545 1031555863 /nfs/dbraw/zinc/55/58/63/1031555863.db2.gz YGGKFMGJRQGDBX-KUHUBIRLSA-N 1 2 343.423 3.763 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365545 1031555869 /nfs/dbraw/zinc/55/58/69/1031555869.db2.gz YGGKFMGJRQGDBX-KUHUBIRLSA-N 1 2 343.423 3.763 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000177727012 1031563126 /nfs/dbraw/zinc/56/31/26/1031563126.db2.gz POLWEKDKZSLNKX-NZSAHSFTSA-N 1 2 340.471 3.935 20 0 EHADLO CC1(C)CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000278597938 1031569052 /nfs/dbraw/zinc/56/90/52/1031569052.db2.gz UTRRUMVIXIKHJY-KRWDZBQOSA-N 1 2 339.439 3.783 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)c(Cl)c1 ZINC000177785353 1031569659 /nfs/dbraw/zinc/56/96/59/1031569659.db2.gz AMXHRXNGZOUUBN-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(Cl)ccc1Cl ZINC000177784247 1031570831 /nfs/dbraw/zinc/57/08/31/1031570831.db2.gz QWYHCYCLDLYWCX-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cccc2c1N=S=N2 ZINC000278598621 1031575285 /nfs/dbraw/zinc/57/52/85/1031575285.db2.gz DSVUETOODLGEJP-SECBINFHSA-N 1 2 344.362 3.626 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cccc2c1N=S=N2 ZINC000278598621 1031575299 /nfs/dbraw/zinc/57/52/99/1031575299.db2.gz DSVUETOODLGEJP-SECBINFHSA-N 1 2 344.362 3.626 20 0 EHADLO CCCc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000158708390 1031579027 /nfs/dbraw/zinc/57/90/27/1031579027.db2.gz NZAQXBPATCDZKA-INIZCTEOSA-N 1 2 340.471 3.859 20 0 EHADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cc2ccccc2o1 ZINC000177955962 1031599018 /nfs/dbraw/zinc/59/90/18/1031599018.db2.gz LCCWKYKKKZQBEF-ZDUSSCGKSA-N 1 2 334.379 3.641 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551720734 1031601989 /nfs/dbraw/zinc/60/19/89/1031601989.db2.gz GNFIKDJOVZRYOK-QMTHXVAHSA-N 1 2 336.233 3.942 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000347448391 1031615041 /nfs/dbraw/zinc/61/50/41/1031615041.db2.gz QRNRHZGFCYCUAL-KGLIPLIRSA-N 1 2 347.409 3.598 20 0 EHADLO CCCc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000904030200 1031637715 /nfs/dbraw/zinc/63/77/15/1031637715.db2.gz UYPFEELMZGZLFV-NVXWUHKLSA-N 1 2 327.428 3.615 20 0 EHADLO CCCc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000904030200 1031637724 /nfs/dbraw/zinc/63/77/24/1031637724.db2.gz UYPFEELMZGZLFV-NVXWUHKLSA-N 1 2 327.428 3.615 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000347462483 1031647826 /nfs/dbraw/zinc/64/78/26/1031647826.db2.gz GZVJKULFFUHOKR-DZGCQCFKSA-N 1 2 331.847 3.583 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)n2)C1 ZINC000448772046 1031658709 /nfs/dbraw/zinc/65/87/09/1031658709.db2.gz RNPANQSLXHWKSG-YUSALJHKSA-N 1 2 347.406 3.512 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)n2)C1 ZINC000448772046 1031658717 /nfs/dbraw/zinc/65/87/17/1031658717.db2.gz RNPANQSLXHWKSG-YUSALJHKSA-N 1 2 347.406 3.512 20 0 EHADLO O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178509099 1031672312 /nfs/dbraw/zinc/67/23/12/1031672312.db2.gz VXDHBMPKLBUSNS-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000178366781 1031690812 /nfs/dbraw/zinc/69/08/12/1031690812.db2.gz ZSPDVOHLQKQWDP-UXHICEINSA-N 1 2 341.414 3.907 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC000484553649 1031716550 /nfs/dbraw/zinc/71/65/50/1031716550.db2.gz AVSFZUBFPBOKHI-QUCCMNQESA-N 1 2 327.399 3.593 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC000484553649 1031716560 /nfs/dbraw/zinc/71/65/60/1031716560.db2.gz AVSFZUBFPBOKHI-QUCCMNQESA-N 1 2 327.399 3.593 20 0 EHADLO CCO[C@@H](c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1)C(C)C ZINC000904116371 1031747644 /nfs/dbraw/zinc/74/76/44/1031747644.db2.gz JHCSXFIZURUZEW-MRXNPFEDSA-N 1 2 326.400 3.715 20 0 EHADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000179166090 1031754601 /nfs/dbraw/zinc/75/46/01/1031754601.db2.gz DAXPUSQEAWXMDN-INIZCTEOSA-N 1 2 343.427 3.772 20 0 EHADLO O=C(C[C@@H]1CCC[N@H+]1Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000179166090 1031754617 /nfs/dbraw/zinc/75/46/17/1031754617.db2.gz DAXPUSQEAWXMDN-INIZCTEOSA-N 1 2 343.427 3.772 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000528138037 1031761184 /nfs/dbraw/zinc/76/11/84/1031761184.db2.gz GUITUWFYFMLQIL-HIFRSBDPSA-N 1 2 339.505 3.519 20 0 EHADLO CCC[C@H](OCC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000528138037 1031761198 /nfs/dbraw/zinc/76/11/98/1031761198.db2.gz GUITUWFYFMLQIL-HIFRSBDPSA-N 1 2 339.505 3.519 20 0 EHADLO CCO[C@H](c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1)C(C)C ZINC000904123674 1031762278 /nfs/dbraw/zinc/76/22/78/1031762278.db2.gz RWSQJOBIVNKGQU-SFHVURJKSA-N 1 2 340.427 3.639 20 0 EHADLO CCCOCc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117617056 1031781182 /nfs/dbraw/zinc/78/11/82/1031781182.db2.gz WOTGFJYRCQMPOW-UHFFFAOYSA-N 1 2 349.434 3.729 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117673291 1031791197 /nfs/dbraw/zinc/79/11/97/1031791197.db2.gz RHPJTVLONIPZPT-LPHOPBHVSA-N 1 2 331.419 3.891 20 0 EHADLO CC(C)[C@@H]1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000923888267 1031793830 /nfs/dbraw/zinc/79/38/30/1031793830.db2.gz MMZDQSHYSWRMCW-RDJZCZTQSA-N 1 2 338.411 3.841 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1nnc2n1CCCCC2 ZINC000657831062 1031832919 /nfs/dbraw/zinc/83/29/19/1031832919.db2.gz RDQYDFIDWWERJY-RYUDHWBXSA-N 1 2 335.402 3.749 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cc(F)cc(F)c2)c2cccc(F)c2)cn1 ZINC000180040130 1031834052 /nfs/dbraw/zinc/83/40/52/1031834052.db2.gz BTXCOHUMLAMGII-GOSISDBHSA-N 1 2 331.341 3.717 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000635504004 1031834566 /nfs/dbraw/zinc/83/45/66/1031834566.db2.gz MEIHXHYMFJZREB-OUCADQQQSA-N 1 2 331.382 3.802 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1C ZINC000343663846 1031842585 /nfs/dbraw/zinc/84/25/85/1031842585.db2.gz ZUHYAAMPWPZZNS-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1C ZINC000343663846 1031842591 /nfs/dbraw/zinc/84/25/91/1031842591.db2.gz ZUHYAAMPWPZZNS-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CN(CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117764260 1031849737 /nfs/dbraw/zinc/84/97/37/1031849737.db2.gz OZHFUXLYLYNFBT-UHFFFAOYSA-N 1 2 348.450 3.519 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1Cl ZINC000180420386 1031852226 /nfs/dbraw/zinc/85/22/26/1031852226.db2.gz UXGUNZQRAADMAW-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1Cl ZINC000180420386 1031852248 /nfs/dbraw/zinc/85/22/48/1031852248.db2.gz UXGUNZQRAADMAW-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cn1 ZINC000278653581 1031854938 /nfs/dbraw/zinc/85/49/38/1031854938.db2.gz MNHWETWRJTYGGS-UHFFFAOYSA-N 1 2 331.363 3.636 20 0 EHADLO CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ncc(Cl)s1)C2 ZINC000343669168 1031861479 /nfs/dbraw/zinc/86/14/79/1031861479.db2.gz CFZGOZGQZZDOAH-BZNIZROVSA-N 1 2 342.892 3.740 20 0 EHADLO CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ncc(Cl)s1)C2 ZINC000343669168 1031861497 /nfs/dbraw/zinc/86/14/97/1031861497.db2.gz CFZGOZGQZZDOAH-BZNIZROVSA-N 1 2 342.892 3.740 20 0 EHADLO CCOc1ccc(C[C@@H](C)c2nc(-c3ccc(N)[nH+]c3C)no2)cc1 ZINC000904262522 1031891604 /nfs/dbraw/zinc/89/16/04/1031891604.db2.gz HRBJWIZBWWSTHF-GFCCVEGCSA-N 1 2 338.411 3.767 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC000904264853 1031892324 /nfs/dbraw/zinc/89/23/24/1031892324.db2.gz AKIPQGDJJBSIRG-UHOFOFEASA-N 1 2 338.798 3.729 20 0 EHADLO CCOc1ccc(C[C@H](C)c2nc(-c3c[nH+]c(N)cc3C)no2)cc1 ZINC000904268566 1031896983 /nfs/dbraw/zinc/89/69/83/1031896983.db2.gz VLQVXXJQTXWXBV-ZDUSSCGKSA-N 1 2 338.411 3.767 20 0 EHADLO Cc1nc(CC(C)C)c(-c2nc(-c3c[nH+]c(N)cc3C)no2)s1 ZINC000904269821 1031898531 /nfs/dbraw/zinc/89/85/31/1031898531.db2.gz SUWLRXCYHLBSFG-UHFFFAOYSA-N 1 2 329.429 3.653 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000904261201 1031905502 /nfs/dbraw/zinc/90/55/02/1031905502.db2.gz YJPMBPKWTDMUNP-OXJNMPFZSA-N 1 2 332.407 3.784 20 0 EHADLO Cc1ccc(OCCCc2nc(-c3ccc(N)[nH+]c3C)no2)c(C)c1 ZINC000904260607 1031905984 /nfs/dbraw/zinc/90/59/84/1031905984.db2.gz QRNBSQUKQWBFET-UHFFFAOYSA-N 1 2 338.411 3.651 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(F)c(F)c1 ZINC000460677052 1031952879 /nfs/dbraw/zinc/95/28/79/1031952879.db2.gz JYJXAARWGZJHEF-UHFFFAOYSA-N 1 2 345.393 3.775 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347475627 1031977069 /nfs/dbraw/zinc/97/70/69/1031977069.db2.gz YRJRICFYFZLETI-NVXWUHKLSA-N 1 2 343.446 3.534 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000347474725 1031977359 /nfs/dbraw/zinc/97/73/59/1031977359.db2.gz WYZXCHBXVQDWNJ-CYBMUJFWSA-N 1 2 331.485 3.799 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1Br ZINC000484811353 1031979219 /nfs/dbraw/zinc/97/92/19/1031979219.db2.gz JLSZTNDWLTVCOK-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380364 1031980863 /nfs/dbraw/zinc/98/08/63/1031980863.db2.gz HBUKRGGXBGUCNG-SJORKVTESA-N 1 2 346.519 3.642 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380364 1031980877 /nfs/dbraw/zinc/98/08/77/1031980877.db2.gz HBUKRGGXBGUCNG-SJORKVTESA-N 1 2 346.519 3.642 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)s1 ZINC000347487215 1031990053 /nfs/dbraw/zinc/99/00/53/1031990053.db2.gz PYHRUSXEGKJMTF-NEPJUHHUSA-N 1 2 337.876 3.645 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000181407516 1032022941 /nfs/dbraw/zinc/02/29/41/1032022941.db2.gz WGMILDWVKFESRZ-UGSOOPFHSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000181407516 1032022951 /nfs/dbraw/zinc/02/29/51/1032022951.db2.gz WGMILDWVKFESRZ-UGSOOPFHSA-N 1 2 328.435 3.805 20 0 EHADLO CCc1nc2sccc2c(NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000533884432 1032023414 /nfs/dbraw/zinc/02/34/14/1032023414.db2.gz FYZHFZRUATWJJW-LBPRGKRZSA-N 1 2 327.457 3.748 20 0 EHADLO CCn1nnc(C)c1C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000449014100 1032025450 /nfs/dbraw/zinc/02/54/50/1032025450.db2.gz OIBOHORPZINRFT-UHFFFAOYSA-N 1 2 338.430 3.948 20 0 EHADLO CCn1nnc(C)c1C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000449014100 1032025462 /nfs/dbraw/zinc/02/54/62/1032025462.db2.gz OIBOHORPZINRFT-UHFFFAOYSA-N 1 2 338.430 3.948 20 0 EHADLO CCCCOc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1F ZINC001211612959 1032039943 /nfs/dbraw/zinc/03/99/43/1032039943.db2.gz OSARDHGKMKCVCX-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2N2CCOCC2)o1 ZINC000449003241 1032040746 /nfs/dbraw/zinc/04/07/46/1032040746.db2.gz PVEIFPWAOYGKEX-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2c(Cl)cccc2N2CCOCC2)o1 ZINC000449003241 1032040762 /nfs/dbraw/zinc/04/07/62/1032040762.db2.gz PVEIFPWAOYGKEX-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2csc(-c3ccco3)n2)cc1 ZINC000181968660 1032050591 /nfs/dbraw/zinc/05/05/91/1032050591.db2.gz QZGFNYSPAMKCEM-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2csc(-c3ccco3)n2)cc1 ZINC000181968660 1032050603 /nfs/dbraw/zinc/05/06/03/1032050603.db2.gz QZGFNYSPAMKCEM-UHFFFAOYSA-N 1 2 328.437 3.706 20 0 EHADLO Fc1cccc(-n2ccc(COc3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000607723363 1033294837 /nfs/dbraw/zinc/29/48/37/1033294837.db2.gz ZDVFZFMGRLLKHL-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000449832718 1033303236 /nfs/dbraw/zinc/30/32/36/1033303236.db2.gz CHOTZXLKJPFYPI-MRXNPFEDSA-N 1 2 341.455 3.997 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cncc(Cl)c2)nc1C ZINC000598611884 1033325588 /nfs/dbraw/zinc/32/55/88/1033325588.db2.gz KYTYGOCDOLLHLI-JTQLQIEISA-N 1 2 339.848 3.527 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc(F)cc2F)CS1 ZINC000898106642 1033351570 /nfs/dbraw/zinc/35/15/70/1033351570.db2.gz QRVSGKSUAABIFX-PVXIVEMSSA-N 1 2 337.439 3.661 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000607855851 1033362496 /nfs/dbraw/zinc/36/24/96/1033362496.db2.gz PATLDWLHFBLTBX-XLIONFOSSA-N 1 2 347.462 3.837 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000050448029 1033375030 /nfs/dbraw/zinc/37/50/30/1033375030.db2.gz CRWBPYAPMSSPST-QWHCGFSZSA-N 1 2 344.377 3.692 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)o1 ZINC000607958974 1033404228 /nfs/dbraw/zinc/40/42/28/1033404228.db2.gz VSXYSWTXYZHEEF-INIZCTEOSA-N 1 2 342.443 3.558 20 0 EHADLO C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000358118401 1033410515 /nfs/dbraw/zinc/41/05/15/1033410515.db2.gz MWKZJLFCSRXXRC-QGZVFWFLSA-N 1 2 348.450 3.893 20 0 EHADLO Cc1ccc(F)c(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000065703679 1033429275 /nfs/dbraw/zinc/42/92/75/1033429275.db2.gz PQVTYLOXKPIEOJ-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2cnn(CC)c21 ZINC001143600587 1033442503 /nfs/dbraw/zinc/44/25/03/1033442503.db2.gz XIUREYNIQDIEKX-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2cnn(CC)c21 ZINC001143600587 1033442511 /nfs/dbraw/zinc/44/25/11/1033442511.db2.gz XIUREYNIQDIEKX-INIZCTEOSA-N 1 2 349.425 3.626 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(COC)CCCCC2)n1 ZINC000898312323 1033448990 /nfs/dbraw/zinc/44/89/90/1033448990.db2.gz AMDXAJWHLXQJFO-UHFFFAOYSA-N 1 2 339.505 3.520 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)ccc(F)c2F)n1 ZINC000898312520 1033449466 /nfs/dbraw/zinc/44/94/66/1033449466.db2.gz HDCQIOBNFIEDIE-UHFFFAOYSA-N 1 2 343.374 3.655 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000669672838 1033460865 /nfs/dbraw/zinc/46/08/65/1033460865.db2.gz OQKAAEQDAMQIKY-OAHLLOKOSA-N 1 2 343.496 3.918 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472337201 1033472861 /nfs/dbraw/zinc/47/28/61/1033472861.db2.gz PBHWRXUALMCVEH-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472337201 1033472872 /nfs/dbraw/zinc/47/28/72/1033472872.db2.gz PBHWRXUALMCVEH-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H](C[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C)c1ccccc1 ZINC000594613271 1033478559 /nfs/dbraw/zinc/47/85/59/1033478559.db2.gz BSMCUDOPOZKMBB-VQIMIIECSA-N 1 2 340.467 3.728 20 0 EHADLO COC(=O)c1cc(COc2cc(C)[nH+]c3ccc(OC)cc32)oc1C ZINC000594669552 1033480772 /nfs/dbraw/zinc/48/07/72/1033480772.db2.gz FXQQIKGZOSULTK-UHFFFAOYSA-N 1 2 341.363 3.819 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Br ZINC001140700707 1033500135 /nfs/dbraw/zinc/50/01/35/1033500135.db2.gz KERQKJCNQCRKQY-LRDDRELGSA-N 1 2 342.252 3.898 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Br ZINC001140700707 1033500142 /nfs/dbraw/zinc/50/01/42/1033500142.db2.gz KERQKJCNQCRKQY-LRDDRELGSA-N 1 2 342.252 3.898 20 0 EHADLO CCOC(=O)C[N@@H+](CCCF)[C@H](C)c1cccc(Br)c1 ZINC000537524946 1033554568 /nfs/dbraw/zinc/55/45/68/1033554568.db2.gz YTJBLXJXDVEVRU-GFCCVEGCSA-N 1 2 346.240 3.735 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120204393 1033512669 /nfs/dbraw/zinc/51/26/69/1033512669.db2.gz SAUOAQWEAUJYQL-HNNXBMFYSA-N 1 2 337.423 3.570 20 0 EHADLO CC(C)c1cc(C(=O)NCCCCn2cc[nH+]c2)c2ccccc2n1 ZINC000603297365 1033527345 /nfs/dbraw/zinc/52/73/45/1033527345.db2.gz UDODVHJZTHOTKU-UHFFFAOYSA-N 1 2 336.439 3.765 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000537514404 1033527772 /nfs/dbraw/zinc/52/77/72/1033527772.db2.gz SJRONIMHGDNXBN-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000537514404 1033527779 /nfs/dbraw/zinc/52/77/79/1033527779.db2.gz SJRONIMHGDNXBN-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO CCOC(=O)C[N@H+](CCCF)[C@H](C)c1cccc(Br)c1 ZINC000537524946 1033554562 /nfs/dbraw/zinc/55/45/62/1033554562.db2.gz YTJBLXJXDVEVRU-GFCCVEGCSA-N 1 2 346.240 3.735 20 0 EHADLO CC[N@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)Cc1ccoc1 ZINC000131336417 1033558158 /nfs/dbraw/zinc/55/81/58/1033558158.db2.gz JLWLOQKXZWOXLU-OAHLLOKOSA-N 1 2 332.444 3.610 20 0 EHADLO CC[N@@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)Cc1ccoc1 ZINC000131336417 1033558169 /nfs/dbraw/zinc/55/81/69/1033558169.db2.gz JLWLOQKXZWOXLU-OAHLLOKOSA-N 1 2 332.444 3.610 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000106241828 1033558820 /nfs/dbraw/zinc/55/88/20/1033558820.db2.gz HNQFPUDLGOXOHC-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000106240300 1033559978 /nfs/dbraw/zinc/55/99/78/1033559978.db2.gz UGLPVRDPJNQUQA-MJBXVCDLSA-N 1 2 331.485 3.622 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000106240307 1033560352 /nfs/dbraw/zinc/56/03/52/1033560352.db2.gz UGLPVRDPJNQUQA-IHRRRGAJSA-N 1 2 331.485 3.622 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1ccc(Cl)cc1 ZINC000608313779 1033614452 /nfs/dbraw/zinc/61/44/52/1033614452.db2.gz MYOYDEZDGBIXCJ-GFCCVEGCSA-N 1 2 344.802 3.577 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c2nccn21 ZINC000598978361 1033625641 /nfs/dbraw/zinc/62/56/41/1033625641.db2.gz NCWKISPFIAUNDE-DGCLKSJQSA-N 1 2 333.457 3.696 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2CC(C)C)s1 ZINC000599063361 1033702533 /nfs/dbraw/zinc/70/25/33/1033702533.db2.gz YUTBHQLUYNMNCC-CYBMUJFWSA-N 1 2 332.469 3.979 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2CC(C)C)s1 ZINC000599063375 1033704076 /nfs/dbraw/zinc/70/40/76/1033704076.db2.gz YUTBHQLUYNMNCC-ZDUSSCGKSA-N 1 2 332.469 3.979 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@H]4C[C@H]43)n2)c(C)c1 ZINC000761101556 1033710642 /nfs/dbraw/zinc/71/06/42/1033710642.db2.gz XROKATNVHSKVDK-GOEBONIOSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@H]4C[C@H]43)n2)c(C)c1 ZINC000761101556 1033710659 /nfs/dbraw/zinc/71/06/59/1033710659.db2.gz XROKATNVHSKVDK-GOEBONIOSA-N 1 2 341.480 3.768 20 0 EHADLO CCc1cnc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000608491870 1033726652 /nfs/dbraw/zinc/72/66/52/1033726652.db2.gz FSLXFFLJZAKJJZ-CQSZACIVSA-N 1 2 333.863 3.769 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c(=S)n1C ZINC000174081602 1033727650 /nfs/dbraw/zinc/72/76/50/1033727650.db2.gz ZZKOVFCFVIVBIM-AWEZNQCLSA-N 1 2 334.489 3.845 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c(=S)n1C ZINC000174081602 1033727668 /nfs/dbraw/zinc/72/76/68/1033727668.db2.gz ZZKOVFCFVIVBIM-AWEZNQCLSA-N 1 2 334.489 3.845 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(OCC3CCCCC3)CC2)n1 ZINC000608500281 1033729892 /nfs/dbraw/zinc/72/98/92/1033729892.db2.gz VMYOZWROTNUOEO-UHFFFAOYSA-N 1 2 335.492 3.928 20 0 EHADLO O=C(CCOc1ccccc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118772 1033730658 /nfs/dbraw/zinc/73/06/58/1033730658.db2.gz HJUCJDCWAXWFLC-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](OC)C2CCCC2)n1 ZINC000595349888 1033735360 /nfs/dbraw/zinc/73/53/60/1033735360.db2.gz FGUMSWPWKNUPBO-OCCSQVGLSA-N 1 2 327.494 3.521 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](OC)C2CCCC2)n1 ZINC000595349888 1033735373 /nfs/dbraw/zinc/73/53/73/1033735373.db2.gz FGUMSWPWKNUPBO-OCCSQVGLSA-N 1 2 327.494 3.521 20 0 EHADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000685687009 1033785830 /nfs/dbraw/zinc/78/58/30/1033785830.db2.gz RMKBRIFIXFLZOT-HXUWFJFHSA-N 1 2 339.483 3.949 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889932 1033802394 /nfs/dbraw/zinc/80/23/94/1033802394.db2.gz ULDWLXRPCOOSCB-IPQOISQHSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093889932 1033802405 /nfs/dbraw/zinc/80/24/05/1033802405.db2.gz ULDWLXRPCOOSCB-IPQOISQHSA-N 1 2 334.510 3.951 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151198 1033814774 /nfs/dbraw/zinc/81/47/74/1033814774.db2.gz CKHPXLBSKUYKLF-HNAYVOBHSA-N 1 2 338.451 3.684 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151198 1033814793 /nfs/dbraw/zinc/81/47/93/1033814793.db2.gz CKHPXLBSKUYKLF-HNAYVOBHSA-N 1 2 338.451 3.684 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCCCC1 ZINC000007002088 1033847791 /nfs/dbraw/zinc/84/77/91/1033847791.db2.gz BXGLUJIPXHDJDB-NEPJUHHUSA-N 1 2 331.485 3.656 20 0 EHADLO Cc1ccc([C@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000046944204 1033893927 /nfs/dbraw/zinc/89/39/27/1033893927.db2.gz OIRANFMGWJSXMR-INIZCTEOSA-N 1 2 326.444 3.595 20 0 EHADLO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255641662 1033931830 /nfs/dbraw/zinc/93/18/30/1033931830.db2.gz XVKGVEMARFFAMV-QINSGFPZSA-N 1 2 335.382 3.731 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000595675960 1033945045 /nfs/dbraw/zinc/94/50/45/1033945045.db2.gz OFDDTDXNCNDYTA-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000595675960 1033945057 /nfs/dbraw/zinc/94/50/57/1033945057.db2.gz OFDDTDXNCNDYTA-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000595694975 1033948679 /nfs/dbraw/zinc/94/86/79/1033948679.db2.gz XKIQTTBJLBHXMF-QGZVFWFLSA-N 1 2 333.407 3.521 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1C ZINC000537608358 1034005718 /nfs/dbraw/zinc/00/57/18/1034005718.db2.gz XSZJTLQERACRDH-FQEVSTJZSA-N 1 2 346.434 3.861 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccc(C)cc2)C2CCCCC2)n1 ZINC000658156968 1034011148 /nfs/dbraw/zinc/01/11/48/1034011148.db2.gz OFEZBSZOUIJWSM-IBGZPJMESA-N 1 2 328.460 3.671 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+](C)CCCCc3ccccc3)no2)c1 ZINC000450269430 1034017812 /nfs/dbraw/zinc/01/78/12/1034017812.db2.gz INKOSBQUIZOLKY-UHFFFAOYSA-N 1 2 336.439 3.895 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+](C)CCCCc3ccccc3)no2)c1 ZINC000450269430 1034017825 /nfs/dbraw/zinc/01/78/25/1034017825.db2.gz INKOSBQUIZOLKY-UHFFFAOYSA-N 1 2 336.439 3.895 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000595910208 1034027082 /nfs/dbraw/zinc/02/70/82/1034027082.db2.gz RRIKUBPIPICPCF-GOSISDBHSA-N 1 2 330.453 3.735 20 0 EHADLO CC(C)c1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)on1 ZINC000603928626 1034037334 /nfs/dbraw/zinc/03/73/34/1034037334.db2.gz JZIAUWMQWKZMKV-UHFFFAOYSA-N 1 2 334.383 3.539 20 0 EHADLO C[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCCO1 ZINC000450302288 1034055665 /nfs/dbraw/zinc/05/56/65/1034055665.db2.gz HITWIZWLQMCOTJ-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H](C)c2cc(C)n(C)n2)s1 ZINC000658226473 1034085921 /nfs/dbraw/zinc/08/59/21/1034085921.db2.gz PTHMWJNHRPSOOW-JTQLQIEISA-N 1 2 328.279 3.712 20 0 EHADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCCC2=O)cc1 ZINC000179285812 1034088682 /nfs/dbraw/zinc/08/86/82/1034088682.db2.gz NRDFDHUTODWXDB-AWEZNQCLSA-N 1 2 334.423 3.873 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000596188270 1034103900 /nfs/dbraw/zinc/10/39/00/1034103900.db2.gz VHEHVPMQXUTHQN-KPZWWZAWSA-N 1 2 348.830 3.639 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000596157167 1034112078 /nfs/dbraw/zinc/11/20/78/1034112078.db2.gz PLPRRFFYAWHESW-OAHLLOKOSA-N 1 2 339.439 3.570 20 0 EHADLO FC1(F)CCC[C@H]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000923825776 1034123827 /nfs/dbraw/zinc/12/38/27/1034123827.db2.gz FGIDPNZAZPSXNJ-HNNXBMFYSA-N 1 2 344.365 3.959 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)[nH]1 ZINC000529535205 1034124823 /nfs/dbraw/zinc/12/48/23/1034124823.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)[nH]1 ZINC000529535205 1034124833 /nfs/dbraw/zinc/12/48/33/1034124833.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)n1 ZINC000529535205 1034124841 /nfs/dbraw/zinc/12/48/41/1034124841.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)n1 ZINC000529535205 1034124847 /nfs/dbraw/zinc/12/48/47/1034124847.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccsc3C(F)(F)F)C2)n[nH]1 ZINC000529535205 1034124854 /nfs/dbraw/zinc/12/48/54/1034124854.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccsc3C(F)(F)F)C2)n[nH]1 ZINC000529535205 1034124864 /nfs/dbraw/zinc/12/48/64/1034124864.db2.gz GMFLAPRJCOIVNL-NSHDSACASA-N 1 2 330.379 3.573 20 0 EHADLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000450318918 1034125927 /nfs/dbraw/zinc/12/59/27/1034125927.db2.gz XKAQWDCBVDZSCC-ZBFHGGJFSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000450318918 1034125936 /nfs/dbraw/zinc/12/59/36/1034125936.db2.gz XKAQWDCBVDZSCC-ZBFHGGJFSA-N 1 2 336.407 3.510 20 0 EHADLO FC(F)O[C@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000529541973 1034146326 /nfs/dbraw/zinc/14/63/26/1034146326.db2.gz NWPQSJIYQUZJMH-VIFPVBQESA-N 1 2 326.206 3.714 20 0 EHADLO FC(F)O[C@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000529541973 1034146331 /nfs/dbraw/zinc/14/63/31/1034146331.db2.gz NWPQSJIYQUZJMH-VIFPVBQESA-N 1 2 326.206 3.714 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000596255765 1034149512 /nfs/dbraw/zinc/14/95/12/1034149512.db2.gz UBCAEGIZSDJYIX-INIZCTEOSA-N 1 2 332.350 3.565 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccsc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000529559376 1034168848 /nfs/dbraw/zinc/16/88/48/1034168848.db2.gz WTWYORDEIINEHF-NSHDSACASA-N 1 2 335.391 3.537 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000529559376 1034168857 /nfs/dbraw/zinc/16/88/57/1034168857.db2.gz WTWYORDEIINEHF-NSHDSACASA-N 1 2 335.391 3.537 20 0 EHADLO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120836471 1034181510 /nfs/dbraw/zinc/18/15/10/1034181510.db2.gz UADNVPPYDWVOJP-UHFFFAOYSA-N 1 2 342.201 3.806 20 0 EHADLO CC(C)(C)Oc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120884025 1034198488 /nfs/dbraw/zinc/19/84/88/1034198488.db2.gz UOTOTKQIGCGEOK-GOSISDBHSA-N 1 2 340.423 3.552 20 0 EHADLO CC(=O)Nc1cc(C(=O)Nc2cc[nH+]c(C)c2)cc(C(F)(F)F)c1 ZINC000120887203 1034198680 /nfs/dbraw/zinc/19/86/80/1034198680.db2.gz JOINBAWNZYXSMM-UHFFFAOYSA-N 1 2 337.301 3.620 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC34CCC(CC3)CC4)cn2c1 ZINC000456241014 1034227851 /nfs/dbraw/zinc/22/78/51/1034227851.db2.gz DVPGXINNTBMGDR-UHFFFAOYSA-N 1 2 343.496 3.715 20 0 EHADLO CCOC1(C)CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529573251 1034228666 /nfs/dbraw/zinc/22/86/66/1034228666.db2.gz MGGZICOYHXLONW-UHFFFAOYSA-N 1 2 347.684 3.889 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000529594728 1034236528 /nfs/dbraw/zinc/23/65/28/1034236528.db2.gz ADSXDZDDAJYOFW-IUODEOHRSA-N 1 2 325.225 3.604 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000529594728 1034236540 /nfs/dbraw/zinc/23/65/40/1034236540.db2.gz ADSXDZDDAJYOFW-IUODEOHRSA-N 1 2 325.225 3.604 20 0 EHADLO COCCSc1ccc([C@H](C)Nc2[nH+]c3ccccc3n2C)cc1 ZINC000534242433 1034287814 /nfs/dbraw/zinc/28/78/14/1034287814.db2.gz CWKJUXXNBJNITR-AWEZNQCLSA-N 1 2 341.480 3.907 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450450196 1034353262 /nfs/dbraw/zinc/35/32/62/1034353262.db2.gz DSVUSTDBFVGODQ-HNNXBMFYSA-N 1 2 326.366 3.511 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450450196 1034353275 /nfs/dbraw/zinc/35/32/75/1034353275.db2.gz DSVUSTDBFVGODQ-HNNXBMFYSA-N 1 2 326.366 3.511 20 0 EHADLO CCC[N@H+](Cc1noc(C2CC2)n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121051791 1034365986 /nfs/dbraw/zinc/36/59/86/1034365986.db2.gz FYLREQFQBPSHBJ-CVEARBPZSA-N 1 2 333.476 3.897 20 0 EHADLO CCC[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121051791 1034365995 /nfs/dbraw/zinc/36/59/95/1034365995.db2.gz FYLREQFQBPSHBJ-CVEARBPZSA-N 1 2 333.476 3.897 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121055437 1034367408 /nfs/dbraw/zinc/36/74/08/1034367408.db2.gz YJTUQTNLZNHWQZ-HNNXBMFYSA-N 1 2 342.782 3.775 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121070751 1034368733 /nfs/dbraw/zinc/36/87/33/1034368733.db2.gz SPSYCTLZGYLSKK-USXIJHARSA-N 1 2 342.826 3.518 20 0 EHADLO FC(F)COc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529666159 1034390039 /nfs/dbraw/zinc/39/00/39/1034390039.db2.gz QYSBHTSWJRCTBC-UHFFFAOYSA-N 1 2 345.393 3.556 20 0 EHADLO FC(F)COc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000529666159 1034390055 /nfs/dbraw/zinc/39/00/55/1034390055.db2.gz QYSBHTSWJRCTBC-UHFFFAOYSA-N 1 2 345.393 3.556 20 0 EHADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@@H]1C ZINC000450478116 1034395610 /nfs/dbraw/zinc/39/56/10/1034395610.db2.gz ZLFARFTXFVQOEJ-WDEREUQCSA-N 1 2 336.794 3.663 20 0 EHADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604651386 1034442952 /nfs/dbraw/zinc/44/29/52/1034442952.db2.gz VBMOIOXOMDATSG-RTBURBONSA-N 1 2 340.471 3.886 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669719342 1034471848 /nfs/dbraw/zinc/47/18/48/1034471848.db2.gz POFCSQBMIRBFJN-GFCCVEGCSA-N 1 2 326.425 3.939 20 0 EHADLO CCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381995 1034478871 /nfs/dbraw/zinc/47/88/71/1034478871.db2.gz LWMPSCUNWCNECI-CABCVRRESA-N 1 2 341.858 3.712 20 0 EHADLO CCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381995 1034478875 /nfs/dbraw/zinc/47/88/75/1034478875.db2.gz LWMPSCUNWCNECI-CABCVRRESA-N 1 2 341.858 3.712 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000456488556 1034494958 /nfs/dbraw/zinc/49/49/58/1034494958.db2.gz VZEGQYSOYGVOSK-ZBFHGGJFSA-N 1 2 331.847 3.997 20 0 EHADLO CCSCC[C@H](C)[N@H+](C)Cc1c(F)cncc1Br ZINC000597027332 1034502857 /nfs/dbraw/zinc/50/28/57/1034502857.db2.gz PNYIUOAKGRCOCL-JTQLQIEISA-N 1 2 335.286 3.947 20 0 EHADLO CCSCC[C@H](C)[N@@H+](C)Cc1c(F)cncc1Br ZINC000597027332 1034502871 /nfs/dbraw/zinc/50/28/71/1034502871.db2.gz PNYIUOAKGRCOCL-JTQLQIEISA-N 1 2 335.286 3.947 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H]1C ZINC000450538187 1034513066 /nfs/dbraw/zinc/51/30/66/1034513066.db2.gz FKJPQSJBODLBAG-ZHALLVOQSA-N 1 2 331.504 3.974 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000892473991 1034537433 /nfs/dbraw/zinc/53/74/33/1034537433.db2.gz ZBQKXJRZNFPNQV-UHFFFAOYSA-N 1 2 345.342 3.723 20 0 EHADLO C[N@H+](Cc1cn(CC2CC2)nn1)C1c2ccccc2-c2ccccc21 ZINC000450574958 1034538728 /nfs/dbraw/zinc/53/87/28/1034538728.db2.gz DDBQXFGNVPGDLG-UHFFFAOYSA-N 1 2 330.435 3.890 20 0 EHADLO C[N@@H+](Cc1cn(CC2CC2)nn1)C1c2ccccc2-c2ccccc21 ZINC000450574958 1034538740 /nfs/dbraw/zinc/53/87/40/1034538740.db2.gz DDBQXFGNVPGDLG-UHFFFAOYSA-N 1 2 330.435 3.890 20 0 EHADLO CCCC[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000604935914 1034554188 /nfs/dbraw/zinc/55/41/88/1034554188.db2.gz UPFMYXAAHGIKMJ-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO CCCC[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000604935914 1034554202 /nfs/dbraw/zinc/55/42/02/1034554202.db2.gz UPFMYXAAHGIKMJ-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456560178 1034559341 /nfs/dbraw/zinc/55/93/41/1034559341.db2.gz JSMUWUXSBUPMQW-GOSISDBHSA-N 1 2 333.391 3.833 20 0 EHADLO COc1ccc(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000060462064 1034559136 /nfs/dbraw/zinc/55/91/36/1034559136.db2.gz CYJGQZLVABIZGI-UHFFFAOYSA-N 1 2 332.403 3.898 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000060462064 1034559151 /nfs/dbraw/zinc/55/91/51/1034559151.db2.gz CYJGQZLVABIZGI-UHFFFAOYSA-N 1 2 332.403 3.898 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999944 1034583025 /nfs/dbraw/zinc/58/30/25/1034583025.db2.gz ABWVOTYVBDKQEU-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000604999944 1034583035 /nfs/dbraw/zinc/58/30/35/1034583035.db2.gz ABWVOTYVBDKQEU-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1Cl ZINC000534529240 1034647312 /nfs/dbraw/zinc/64/73/12/1034647312.db2.gz CXELFEMQGRJNMF-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000605155181 1034653159 /nfs/dbraw/zinc/65/31/59/1034653159.db2.gz KRSQFSGTCCLNHE-QGZVFWFLSA-N 1 2 348.418 3.693 20 0 EHADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000605155181 1034653165 /nfs/dbraw/zinc/65/31/65/1034653165.db2.gz KRSQFSGTCCLNHE-QGZVFWFLSA-N 1 2 348.418 3.693 20 0 EHADLO C[C@H](Cc1ccsc1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000584465520 1034658441 /nfs/dbraw/zinc/65/84/41/1034658441.db2.gz MUTBOZMNTQLCDJ-PBHICJAKSA-N 1 2 339.464 3.741 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccc(F)cc1F ZINC000450687010 1034689429 /nfs/dbraw/zinc/68/94/29/1034689429.db2.gz VDJLAUQMHFUPAJ-CYBMUJFWSA-N 1 2 340.395 3.839 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000450702701 1034716116 /nfs/dbraw/zinc/71/61/16/1034716116.db2.gz AYRLYLUAOVWYMY-FJVVXJACSA-N 1 2 328.437 3.608 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000450702701 1034716118 /nfs/dbraw/zinc/71/61/18/1034716118.db2.gz AYRLYLUAOVWYMY-FJVVXJACSA-N 1 2 328.437 3.608 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000456792123 1034735312 /nfs/dbraw/zinc/73/53/12/1034735312.db2.gz AFBKCKFWYWBJPD-CQSZACIVSA-N 1 2 331.847 3.788 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278790491 1034755201 /nfs/dbraw/zinc/75/52/01/1034755201.db2.gz VULFUPBWZOJHSH-IJLUTSLNSA-N 1 2 335.860 3.634 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)NCc2c[nH+]c(C)cc2C)c1C(C)C ZINC000456836322 1034783073 /nfs/dbraw/zinc/78/30/73/1034783073.db2.gz JQHQMFATEZXKNC-UHFFFAOYSA-N 1 2 327.428 3.591 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000605611687 1034803599 /nfs/dbraw/zinc/80/35/99/1034803599.db2.gz DOSHGLYLPTZINY-OAHLLOKOSA-N 1 2 337.533 3.790 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000605698734 1034820499 /nfs/dbraw/zinc/82/04/99/1034820499.db2.gz OWZSKYHPAVSPSF-RDJZCZTQSA-N 1 2 340.446 3.988 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000605698734 1034820512 /nfs/dbraw/zinc/82/05/12/1034820512.db2.gz OWZSKYHPAVSPSF-RDJZCZTQSA-N 1 2 340.446 3.988 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1cnns1)Oc1ccc(Cl)c(Cl)c1 ZINC000450823928 1034827177 /nfs/dbraw/zinc/82/71/77/1034827177.db2.gz CGVGSHVMDRJHLX-VIFPVBQESA-N 1 2 332.256 3.744 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1cnns1)Oc1ccc(Cl)c(Cl)c1 ZINC000450823928 1034827191 /nfs/dbraw/zinc/82/71/91/1034827191.db2.gz CGVGSHVMDRJHLX-VIFPVBQESA-N 1 2 332.256 3.744 20 0 EHADLO CCCOc1cccc2c(N3CC[S@](=O)C(C)(C)CC3)cc[nH+]c12 ZINC000450831466 1034837434 /nfs/dbraw/zinc/83/74/34/1034837434.db2.gz SFIBEBKVYKOAMI-DEOSSOPVSA-N 1 2 346.496 3.761 20 0 EHADLO CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000530035027 1034887253 /nfs/dbraw/zinc/88/72/53/1034887253.db2.gz HDZQVSKWQJKXGM-KRWDZBQOSA-N 1 2 329.419 3.597 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)ncc1Br ZINC000628277128 1034904185 /nfs/dbraw/zinc/90/41/85/1034904185.db2.gz DKVPVGZKPXRXEF-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)ncc1Br ZINC000628277128 1034904189 /nfs/dbraw/zinc/90/41/89/1034904189.db2.gz DKVPVGZKPXRXEF-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO FC(F)(F)CC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450932113 1034936408 /nfs/dbraw/zinc/93/64/08/1034936408.db2.gz QYJCFIDMXHASJB-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO O=c1ccc(-c2c(F)cccc2F)nn1C[NH+]1CCCCCCCC1 ZINC000530093218 1034938418 /nfs/dbraw/zinc/93/84/18/1034938418.db2.gz BGSCPEBJJCGWMQ-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC000450927378 1034951740 /nfs/dbraw/zinc/95/17/40/1034951740.db2.gz CMAQEBKEBFQEPT-CYBMUJFWSA-N 1 2 336.892 3.773 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC000450927378 1034951750 /nfs/dbraw/zinc/95/17/50/1034951750.db2.gz CMAQEBKEBFQEPT-CYBMUJFWSA-N 1 2 336.892 3.773 20 0 EHADLO FC(F)(F)c1cncc(C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000450935986 1034956794 /nfs/dbraw/zinc/95/67/94/1034956794.db2.gz ZZJRPJVTSORDAQ-UHFFFAOYSA-N 1 2 339.336 3.956 20 0 EHADLO CC[N@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)C1CC(C)(C)C1 ZINC000530097391 1034958581 /nfs/dbraw/zinc/95/85/81/1034958581.db2.gz XYFMFKBBSBJJPB-UHFFFAOYSA-N 1 2 347.409 3.657 20 0 EHADLO CC[N@@H+](Cn1nc(-c2c(F)cccc2F)ccc1=O)C1CC(C)(C)C1 ZINC000530097391 1034958590 /nfs/dbraw/zinc/95/85/90/1034958590.db2.gz XYFMFKBBSBJJPB-UHFFFAOYSA-N 1 2 347.409 3.657 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@H](COC)CC1 ZINC000450941174 1034963961 /nfs/dbraw/zinc/96/39/61/1034963961.db2.gz FEVMZTFCKWPLOR-HNNXBMFYSA-N 1 2 342.439 3.664 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000152889756 1034971830 /nfs/dbraw/zinc/97/18/30/1034971830.db2.gz MYSCYOXIBYEJPN-DNVCBOLYSA-N 1 2 340.471 3.601 20 0 EHADLO Cc1cccc(N2CC[NH+](Cn3cc(-c4ccccc4)cn3)CC2)c1 ZINC000065941022 1034980223 /nfs/dbraw/zinc/98/02/23/1034980223.db2.gz WLHVXNHQVZINHJ-UHFFFAOYSA-N 1 2 332.451 3.638 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000444689083 1035001146 /nfs/dbraw/zinc/00/11/46/1035001146.db2.gz FEQRTXIJUNTFHY-NEPJUHHUSA-N 1 2 335.370 3.578 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000444689083 1035001157 /nfs/dbraw/zinc/00/11/57/1035001157.db2.gz FEQRTXIJUNTFHY-NEPJUHHUSA-N 1 2 335.370 3.578 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375953912 1035011011 /nfs/dbraw/zinc/01/10/11/1035011011.db2.gz KPBKXLIUNCOESQ-UHFFFAOYSA-N 1 2 347.846 3.544 20 0 EHADLO Cc1[nH]c(CN(C)Cc2ccc(OCC(F)(F)F)cc2)[nH+]c1C ZINC000628271140 1035038084 /nfs/dbraw/zinc/03/80/84/1035038084.db2.gz ODDAVKAVYFKLMA-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3ccccc3CO)CC2)s1 ZINC000451030984 1035050842 /nfs/dbraw/zinc/05/08/42/1035050842.db2.gz OPGLBSBUBOLLDA-UHFFFAOYSA-N 1 2 345.512 3.609 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000179944251 1035071206 /nfs/dbraw/zinc/07/12/06/1035071206.db2.gz VOKZYYADTPUAHP-KRWDZBQOSA-N 1 2 341.455 3.745 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000179944251 1035071209 /nfs/dbraw/zinc/07/12/09/1035071209.db2.gz VOKZYYADTPUAHP-KRWDZBQOSA-N 1 2 341.455 3.745 20 0 EHADLO C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)Cn1cc[nH+]c1 ZINC000153398879 1035087562 /nfs/dbraw/zinc/08/75/62/1035087562.db2.gz HFFHEUBRZNVTMA-OAHLLOKOSA-N 1 2 345.874 3.801 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccccc1Cl ZINC000066006662 1035096834 /nfs/dbraw/zinc/09/68/34/1035096834.db2.gz KZRGPSSTFUVJCY-CQSZACIVSA-N 1 2 336.892 3.938 20 0 EHADLO Cc1nc(C)c(C[NH2+]Cc2cccc(Br)c2Cl)o1 ZINC000628309905 1035165956 /nfs/dbraw/zinc/16/59/56/1035165956.db2.gz AHSMWFDXDYVVHK-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO CCN(CCc1ccccc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376068997 1035215617 /nfs/dbraw/zinc/21/56/17/1035215617.db2.gz PDPYVAACNQPTRT-KRWDZBQOSA-N 1 2 339.483 3.729 20 0 EHADLO CCN(CCc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376068997 1035215619 /nfs/dbraw/zinc/21/56/19/1035215619.db2.gz PDPYVAACNQPTRT-KRWDZBQOSA-N 1 2 339.483 3.729 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000376090873 1035250611 /nfs/dbraw/zinc/25/06/11/1035250611.db2.gz AVUGXEQLTICUDX-CYBMUJFWSA-N 1 2 332.835 3.793 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177634074 1035288133 /nfs/dbraw/zinc/28/81/33/1035288133.db2.gz DBWMHXFKYCNBKK-UONOGXRCSA-N 1 2 343.858 3.533 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177634074 1035288141 /nfs/dbraw/zinc/28/81/41/1035288141.db2.gz DBWMHXFKYCNBKK-UONOGXRCSA-N 1 2 343.858 3.533 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612992922 1035340945 /nfs/dbraw/zinc/34/09/45/1035340945.db2.gz APXAOTODKPETOJ-HZPDHXFCSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612992922 1035340948 /nfs/dbraw/zinc/34/09/48/1035340948.db2.gz APXAOTODKPETOJ-HZPDHXFCSA-N 1 2 336.838 3.531 20 0 EHADLO Cc1cc(Br)c(Cl)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218013056 1035382044 /nfs/dbraw/zinc/38/20/44/1035382044.db2.gz XURZQEXAORXGEF-NSHDSACASA-N 1 2 340.595 3.787 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431745039 1035410304 /nfs/dbraw/zinc/41/03/04/1035410304.db2.gz OIUZFGZAEHEQEX-OAHLLOKOSA-N 1 2 339.464 3.755 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511443052 1035436893 /nfs/dbraw/zinc/43/68/93/1035436893.db2.gz ZGULEBMLZAWESB-ZACQAIPSSA-N 1 2 344.503 3.564 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[C@H](F)C1 ZINC000571492777 1035507858 /nfs/dbraw/zinc/50/78/58/1035507858.db2.gz SDBUBLLYEFKRQU-GOEBONIOSA-N 1 2 342.418 3.899 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431792468 1035510207 /nfs/dbraw/zinc/51/02/07/1035510207.db2.gz CQNWUAKORJCIGR-MRXNPFEDSA-N 1 2 348.491 3.707 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ncc(C(C)C)s1 ZINC000185841759 1035520782 /nfs/dbraw/zinc/52/07/82/1035520782.db2.gz YMIJAEDJVXZAQJ-UHFFFAOYSA-N 1 2 330.457 3.875 20 0 EHADLO Cc1cc(F)cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)c1 ZINC000185922446 1035542031 /nfs/dbraw/zinc/54/20/31/1035542031.db2.gz ASJPODXJUFRYJB-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1cc(F)cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)c1 ZINC000185922446 1035542039 /nfs/dbraw/zinc/54/20/39/1035542039.db2.gz ASJPODXJUFRYJB-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000463484850 1035552700 /nfs/dbraw/zinc/55/27/00/1035552700.db2.gz VEDIXCHRNSHBDV-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO C[C@H]1CC[C@@H]([NH2+]Cc2n[nH]cc2Br)c2sccc21 ZINC000571633027 1035576169 /nfs/dbraw/zinc/57/61/69/1035576169.db2.gz PDOICMNEMRDHEK-GZMMTYOYSA-N 1 2 326.263 3.962 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000571645796 1035581679 /nfs/dbraw/zinc/58/16/79/1035581679.db2.gz IPDLEKZPHAXPBG-FZMZJTMJSA-N 1 2 343.324 3.783 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)Nc1scnc1C1CC1 ZINC000492295303 1035589589 /nfs/dbraw/zinc/58/95/89/1035589589.db2.gz CRNGGMSJXMEICT-BAQGIRSFSA-N 1 2 336.420 3.858 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000571688172 1035592270 /nfs/dbraw/zinc/59/22/70/1035592270.db2.gz MZRIHGLXECAYJO-KRWDZBQOSA-N 1 2 325.456 3.520 20 0 EHADLO CC(=O)Nc1nc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cs1 ZINC000173321628 1035599265 /nfs/dbraw/zinc/59/92/65/1035599265.db2.gz IABMYHYDUJSNMS-UHFFFAOYSA-N 1 2 333.432 3.800 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@H](C)C1 ZINC000457003327 1035633190 /nfs/dbraw/zinc/63/31/90/1035633190.db2.gz NMOMHAPEJXUTMB-LNLFQRSKSA-N 1 2 339.483 3.805 20 0 EHADLO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000571750140 1035640655 /nfs/dbraw/zinc/64/06/55/1035640655.db2.gz HGXWUFQQNJHZHP-ACJLOTCBSA-N 1 2 342.393 3.783 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000571750142 1035640986 /nfs/dbraw/zinc/64/09/86/1035640986.db2.gz HGXWUFQQNJHZHP-SCLBCKFNSA-N 1 2 342.393 3.783 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](CC(C)C)C1CC1 ZINC000186903297 1035717823 /nfs/dbraw/zinc/71/78/23/1035717823.db2.gz XHOMPSRVYLWVEW-UHFFFAOYSA-N 1 2 329.893 3.754 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](CC(C)C)C1CC1 ZINC000186903297 1035717843 /nfs/dbraw/zinc/71/78/43/1035717843.db2.gz XHOMPSRVYLWVEW-UHFFFAOYSA-N 1 2 329.893 3.754 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)sc1C ZINC000613390277 1035721080 /nfs/dbraw/zinc/72/10/80/1035721080.db2.gz MPBLXZNTTIFDOK-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)sc1C ZINC000613390277 1035721098 /nfs/dbraw/zinc/72/10/98/1035721098.db2.gz MPBLXZNTTIFDOK-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2cccc(OC(F)F)c2)c(C)[nH+]1 ZINC000187075917 1035750103 /nfs/dbraw/zinc/75/01/03/1035750103.db2.gz MLPPGAQXDLKILV-JOCHJYFZSA-N 1 2 325.380 3.749 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCCC4(CC4)C3)n2)c1 ZINC000186997226 1035760233 /nfs/dbraw/zinc/76/02/33/1035760233.db2.gz RPTBSGZHIXDNBR-UHFFFAOYSA-N 1 2 327.428 3.641 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCCC4(CC4)C3)n2)c1 ZINC000186997226 1035760245 /nfs/dbraw/zinc/76/02/45/1035760245.db2.gz RPTBSGZHIXDNBR-UHFFFAOYSA-N 1 2 327.428 3.641 20 0 EHADLO Cc1sc2nc(SCc3ccc(C)[nH+]c3C)n(C)c(=O)c2c1C ZINC000187312825 1035788365 /nfs/dbraw/zinc/78/83/65/1035788365.db2.gz FBEBXDFSUYALFR-UHFFFAOYSA-N 1 2 345.493 3.916 20 0 EHADLO C[C@H](C[N@H+](Cc1ccco1)Cc1cccnc1)NC(=O)OC(C)(C)C ZINC000492434046 1035791068 /nfs/dbraw/zinc/79/10/68/1035791068.db2.gz JKWZJGOJPJHWJG-OAHLLOKOSA-N 1 2 345.443 3.590 20 0 EHADLO C[C@H](C[N@@H+](Cc1ccco1)Cc1cccnc1)NC(=O)OC(C)(C)C ZINC000492434046 1035791087 /nfs/dbraw/zinc/79/10/87/1035791087.db2.gz JKWZJGOJPJHWJG-OAHLLOKOSA-N 1 2 345.443 3.590 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000187359521 1035795350 /nfs/dbraw/zinc/79/53/50/1035795350.db2.gz JEHKJYVHLZKWOO-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO O=C(C1CCC2(CC2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613422486 1035837220 /nfs/dbraw/zinc/83/72/20/1035837220.db2.gz BJOGGLIMHICLOK-UHFFFAOYSA-N 1 2 329.488 3.872 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000669887380 1035855715 /nfs/dbraw/zinc/85/57/15/1035855715.db2.gz NPDONYACOPULOT-UONOGXRCSA-N 1 2 349.525 3.959 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccnc1C(F)(F)F ZINC000188359908 1035914539 /nfs/dbraw/zinc/91/45/39/1035914539.db2.gz HQWKWMIKECCOQC-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000174316892 1035925239 /nfs/dbraw/zinc/92/52/39/1035925239.db2.gz LNYOYRZKGVVOBS-ZDUSSCGKSA-N 1 2 341.361 3.684 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2ncc(-c3ccccc3F)o2)cc1 ZINC000541052747 1035947590 /nfs/dbraw/zinc/94/75/90/1035947590.db2.gz IEPPLPLIGNKAGA-SFHVURJKSA-N 1 2 340.398 3.866 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000572007825 1035969842 /nfs/dbraw/zinc/96/98/42/1035969842.db2.gz NOUSTDPAXLPVRQ-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(OCc2cccnc2)c1 ZINC000572007825 1035969856 /nfs/dbraw/zinc/96/98/56/1035969856.db2.gz NOUSTDPAXLPVRQ-QGZVFWFLSA-N 1 2 330.403 3.603 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000492561782 1035984462 /nfs/dbraw/zinc/98/44/62/1035984462.db2.gz WJAQZXPTHVQJNV-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000492561782 1035984469 /nfs/dbraw/zinc/98/44/69/1035984469.db2.gz WJAQZXPTHVQJNV-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913946142 1035984904 /nfs/dbraw/zinc/98/49/04/1035984904.db2.gz JPOBXHXKDNZXAH-OAHLLOKOSA-N 1 2 338.455 3.829 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)c1[nH+]cnc2c1cnn2C ZINC000170640947 1036032344 /nfs/dbraw/zinc/03/23/44/1036032344.db2.gz HIFVRTFKVOZGEG-UHFFFAOYSA-N 1 2 329.407 3.667 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000572182989 1036036851 /nfs/dbraw/zinc/03/68/51/1036036851.db2.gz AJUAXZYOWIMJNW-FQEVSTJZSA-N 1 2 339.483 3.952 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)c1C ZINC000639919055 1036042045 /nfs/dbraw/zinc/04/20/45/1036042045.db2.gz CKIWUYHEGPLETI-QGZVFWFLSA-N 1 2 342.487 3.596 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000572208125 1036042035 /nfs/dbraw/zinc/04/20/35/1036042035.db2.gz RPLJLWMOHWRJGK-OLZOCXBDSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000572208125 1036042054 /nfs/dbraw/zinc/04/20/54/1036042054.db2.gz RPLJLWMOHWRJGK-OLZOCXBDSA-N 1 2 327.827 3.810 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)c1C ZINC000639919055 1036042067 /nfs/dbraw/zinc/04/20/67/1036042067.db2.gz CKIWUYHEGPLETI-QGZVFWFLSA-N 1 2 342.487 3.596 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccsc1Cl ZINC000189310945 1036056084 /nfs/dbraw/zinc/05/60/84/1036056084.db2.gz HTYOBOQTZKWPAU-UHFFFAOYSA-N 1 2 332.816 3.909 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572376684 1036092143 /nfs/dbraw/zinc/09/21/43/1036092143.db2.gz QJFZYICKWJWIDN-CYBMUJFWSA-N 1 2 329.444 3.851 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572376684 1036092154 /nfs/dbraw/zinc/09/21/54/1036092154.db2.gz QJFZYICKWJWIDN-CYBMUJFWSA-N 1 2 329.444 3.851 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000457469229 1036129878 /nfs/dbraw/zinc/12/98/78/1036129878.db2.gz OELPTFDXFSGJGN-ZDUSSCGKSA-N 1 2 337.370 3.582 20 0 EHADLO O=C(NCCC1=CCCCCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000464125151 1036141279 /nfs/dbraw/zinc/14/12/79/1036141279.db2.gz CHIFMDBTKYWPJC-UHFFFAOYSA-N 1 2 338.455 3.952 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC000475805224 1036168032 /nfs/dbraw/zinc/16/80/32/1036168032.db2.gz DNIOXETUCVBSRC-UHFFFAOYSA-N 1 2 338.329 3.627 20 0 EHADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414235230 1036203614 /nfs/dbraw/zinc/20/36/14/1036203614.db2.gz GZEXZRCDVNHCLO-RFAUZJTJSA-N 1 2 325.309 3.658 20 0 EHADLO Cc1ccccc1OCCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000535257789 1036244958 /nfs/dbraw/zinc/24/49/58/1036244958.db2.gz NUNLJKCMGYLOMQ-UHFFFAOYSA-N 1 2 330.497 3.643 20 0 EHADLO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCO2 ZINC000376355912 1036264629 /nfs/dbraw/zinc/26/46/29/1036264629.db2.gz UIVUQUUVYIJMQM-HZMBPMFUSA-N 1 2 333.334 3.520 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cc2ccccc2o1 ZINC000175189946 1036271376 /nfs/dbraw/zinc/27/13/76/1036271376.db2.gz KFDVDCJMUMWDIZ-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cc2ccccc2o1 ZINC000175189946 1036271395 /nfs/dbraw/zinc/27/13/95/1036271395.db2.gz KFDVDCJMUMWDIZ-UHFFFAOYSA-N 1 2 330.334 3.782 20 0 EHADLO CC(C)CO[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535286753 1036285516 /nfs/dbraw/zinc/28/55/16/1036285516.db2.gz BNHGMWPHYVWKOT-OAHLLOKOSA-N 1 2 339.439 3.601 20 0 EHADLO CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175292493 1036288359 /nfs/dbraw/zinc/28/83/59/1036288359.db2.gz DJGMFRGITCFAFC-SJORKVTESA-N 1 2 329.469 3.666 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000535279079 1036298602 /nfs/dbraw/zinc/29/86/02/1036298602.db2.gz AXAVEJZNPSNVOU-INIZCTEOSA-N 1 2 340.389 3.791 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000535279079 1036298615 /nfs/dbraw/zinc/29/86/15/1036298615.db2.gz AXAVEJZNPSNVOU-INIZCTEOSA-N 1 2 340.389 3.791 20 0 EHADLO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414259584 1036328219 /nfs/dbraw/zinc/32/82/19/1036328219.db2.gz QFWQRSMQEIAAQU-ZDUSSCGKSA-N 1 2 325.309 3.802 20 0 EHADLO COCc1noc([C@H](C)SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000191012495 1036328202 /nfs/dbraw/zinc/32/82/02/1036328202.db2.gz QLOPQGBYCVDSGU-ZDUSSCGKSA-N 1 2 344.440 3.705 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CSc2ccc(C)cc2)c[nH+]1 ZINC000897418931 1036339736 /nfs/dbraw/zinc/33/97/36/1036339736.db2.gz RBWDPJUHLHYRRD-HNNXBMFYSA-N 1 2 331.485 3.532 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000191390458 1036373381 /nfs/dbraw/zinc/37/33/81/1036373381.db2.gz VLHVYSKPUCYELW-KXBFYZLASA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000191390458 1036373396 /nfs/dbraw/zinc/37/33/96/1036373396.db2.gz VLHVYSKPUCYELW-KXBFYZLASA-N 1 2 343.446 3.639 20 0 EHADLO CCc1nnc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)[nH]1 ZINC000191452753 1036385843 /nfs/dbraw/zinc/38/58/43/1036385843.db2.gz HPQHFTXVJMJKIA-UHFFFAOYSA-N 1 2 349.276 3.542 20 0 EHADLO CCc1nnc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)[nH]1 ZINC000191452753 1036385858 /nfs/dbraw/zinc/38/58/58/1036385858.db2.gz HPQHFTXVJMJKIA-UHFFFAOYSA-N 1 2 349.276 3.542 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175562303 1036406962 /nfs/dbraw/zinc/40/69/62/1036406962.db2.gz ZXUGTZBBNVXKKR-HOTGVXAUSA-N 1 2 328.460 3.555 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(C(C)(C)C)ccc3O)[nH+]c12 ZINC000535433254 1036490826 /nfs/dbraw/zinc/49/08/26/1036490826.db2.gz FYXCWMKQUZGXSM-UHFFFAOYSA-N 1 2 337.423 3.827 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccccc2Br)ccc1O ZINC000170915668 1036495163 /nfs/dbraw/zinc/49/51/63/1036495163.db2.gz VQKLNZXBJVCUNS-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccccc2Br)ccc1O ZINC000170915668 1036495167 /nfs/dbraw/zinc/49/51/67/1036495167.db2.gz VQKLNZXBJVCUNS-UHFFFAOYSA-N 1 2 336.229 3.795 20 0 EHADLO CC(C)(C)n1nnnc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000464477772 1036505869 /nfs/dbraw/zinc/50/58/69/1036505869.db2.gz CBUZEKOGWSVXIZ-KRWDZBQOSA-N 1 2 331.439 3.588 20 0 EHADLO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nnnn1C(C)(C)C)C(C)C ZINC000464499199 1036513177 /nfs/dbraw/zinc/51/31/77/1036513177.db2.gz RRULHHKFRHPXTI-QGZVFWFLSA-N 1 2 341.459 3.970 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000541626784 1036515476 /nfs/dbraw/zinc/51/54/76/1036515476.db2.gz OSZCEORTKSEEHT-CYBMUJFWSA-N 1 2 347.875 3.677 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC(Oc3cc(C)ccc3C)CC2)n1 ZINC000064486450 1036542901 /nfs/dbraw/zinc/54/29/01/1036542901.db2.gz SDRXTMXXLVLMGX-HNNXBMFYSA-N 1 2 329.444 3.853 20 0 EHADLO CC(C)OCc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000064534059 1036546617 /nfs/dbraw/zinc/54/66/17/1036546617.db2.gz FKKAXMSDDMCIRQ-UHFFFAOYSA-N 1 2 342.443 3.630 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSCc1ccccc1)[C@H]2C ZINC000192806689 1036553002 /nfs/dbraw/zinc/55/30/02/1036553002.db2.gz HYWXUAPWJMSFEK-HNNXBMFYSA-N 1 2 330.501 3.712 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSCc1ccccc1)[C@H]2C ZINC000192806689 1036553017 /nfs/dbraw/zinc/55/30/17/1036553017.db2.gz HYWXUAPWJMSFEK-HNNXBMFYSA-N 1 2 330.501 3.712 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)c1 ZINC000457849309 1036554039 /nfs/dbraw/zinc/55/40/39/1036554039.db2.gz FFFBXFAAJCAPCZ-UHFFFAOYSA-N 1 2 347.462 3.724 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000589636761 1036566996 /nfs/dbraw/zinc/56/69/96/1036566996.db2.gz SBVHPEDJUDICKW-FQEVSTJZSA-N 1 2 337.423 3.821 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc(F)c1 ZINC000589639918 1036569151 /nfs/dbraw/zinc/56/91/51/1036569151.db2.gz MZCGUFHBQTZGPO-FQEVSTJZSA-N 1 2 346.409 3.987 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](CC)c2ccn(C)n2)c1OC(F)F ZINC000541732830 1036600615 /nfs/dbraw/zinc/60/06/15/1036600615.db2.gz AJFUBOSNWMOROD-ZDUSSCGKSA-N 1 2 339.386 3.661 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2CCc2noc3ccccc32)o1 ZINC000653557781 1036647269 /nfs/dbraw/zinc/64/72/69/1036647269.db2.gz IGLWFCMKXIMHRB-QGZVFWFLSA-N 1 2 326.396 3.599 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2CCc2noc3ccccc32)o1 ZINC000653557781 1036647287 /nfs/dbraw/zinc/64/72/87/1036647287.db2.gz IGLWFCMKXIMHRB-QGZVFWFLSA-N 1 2 326.396 3.599 20 0 EHADLO CC(C)(C)OC(=O)CCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000589945107 1036689335 /nfs/dbraw/zinc/68/93/35/1036689335.db2.gz WUYKFUUXFSQDAM-MRXNPFEDSA-N 1 2 336.480 3.528 20 0 EHADLO C[C@@H](CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000493111166 1036719704 /nfs/dbraw/zinc/71/97/04/1036719704.db2.gz CDLJZPGQCYUJRY-WXJAXGNASA-N 1 2 337.345 3.590 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)no1 ZINC000541873421 1036744013 /nfs/dbraw/zinc/74/40/13/1036744013.db2.gz IFEKJONPWJTERA-QGZVFWFLSA-N 1 2 349.434 3.946 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)no1 ZINC000541873421 1036744030 /nfs/dbraw/zinc/74/40/30/1036744030.db2.gz IFEKJONPWJTERA-QGZVFWFLSA-N 1 2 349.434 3.946 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2Nc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000669823589 1036749711 /nfs/dbraw/zinc/74/97/11/1036749711.db2.gz IKQWRXBFVVIPQO-ZWKOTPCHSA-N 1 2 334.423 3.853 20 0 EHADLO Cc1cc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c(C)c[nH+]1 ZINC000541877058 1036752102 /nfs/dbraw/zinc/75/21/02/1036752102.db2.gz KRMDBEAUZMTLPG-UHFFFAOYSA-N 1 2 345.374 3.774 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102696136 1036770947 /nfs/dbraw/zinc/77/09/47/1036770947.db2.gz JAOPVBXAFVTVPF-UHFFFAOYSA-N 1 2 345.805 3.738 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000102696136 1036770961 /nfs/dbraw/zinc/77/09/61/1036770961.db2.gz JAOPVBXAFVTVPF-UHFFFAOYSA-N 1 2 345.805 3.738 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000102687036 1036771145 /nfs/dbraw/zinc/77/11/45/1036771145.db2.gz GZSQPIKZZDBDDF-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791870 1036803819 /nfs/dbraw/zinc/80/38/19/1036803819.db2.gz VJIXVRVLFDGQOK-CJNGLKHVSA-N 1 2 338.904 3.663 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791870 1036803839 /nfs/dbraw/zinc/80/38/39/1036803839.db2.gz VJIXVRVLFDGQOK-CJNGLKHVSA-N 1 2 338.904 3.663 20 0 EHADLO CC[C@H](c1nnc(SCC(C)(C)O)n1C1CCCCC1)[NH+](C)C ZINC000103168101 1036847653 /nfs/dbraw/zinc/84/76/53/1036847653.db2.gz YTDJPNMINAEONE-CQSZACIVSA-N 1 2 340.537 3.659 20 0 EHADLO C[C@@]1(C[NH2+]Cc2cccc(C(=O)[O-])c2)CCC[N@@H+]1Cc1ccccc1 ZINC000263413657 1036878375 /nfs/dbraw/zinc/87/83/75/1036878375.db2.gz MIEQRKKWEMYXJA-NRFANRHFSA-N 1 2 338.451 3.529 20 0 EHADLO C[C@@]1(C[NH2+]Cc2cccc(C(=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000263413657 1036878396 /nfs/dbraw/zinc/87/83/96/1036878396.db2.gz MIEQRKKWEMYXJA-NRFANRHFSA-N 1 2 338.451 3.529 20 0 EHADLO Cc1occc1CNc1nc(NCc2ccoc2C)c2ccccc2[nH+]1 ZINC000590492886 1036897810 /nfs/dbraw/zinc/89/78/10/1036897810.db2.gz VQMRUZLNYLYLAQ-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)s1 ZINC000464857704 1036910288 /nfs/dbraw/zinc/91/02/88/1036910288.db2.gz LUPDBRPHGNJADL-PBHICJAKSA-N 1 2 346.496 3.993 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)s1 ZINC000464857704 1036910307 /nfs/dbraw/zinc/91/03/07/1036910307.db2.gz LUPDBRPHGNJADL-PBHICJAKSA-N 1 2 346.496 3.993 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCCCC12CCCC2 ZINC000462418630 1036934328 /nfs/dbraw/zinc/93/43/28/1036934328.db2.gz ZQKQORBDQYDMLQ-KURKYZTESA-N 1 2 341.499 3.773 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000541984569 1036947968 /nfs/dbraw/zinc/94/79/68/1036947968.db2.gz PAARXWPBWOLZBA-GOSISDBHSA-N 1 2 326.371 3.612 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCC1 ZINC000467187539 1036959163 /nfs/dbraw/zinc/95/91/63/1036959163.db2.gz SLJJQCZHCBUDRR-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCC1 ZINC000467187539 1036959175 /nfs/dbraw/zinc/95/91/75/1036959175.db2.gz SLJJQCZHCBUDRR-UHFFFAOYSA-N 1 2 345.361 3.545 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000414365931 1037014558 /nfs/dbraw/zinc/01/45/58/1037014558.db2.gz AHUSZLBTFDDFSE-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000414365931 1037014574 /nfs/dbraw/zinc/01/45/74/1037014574.db2.gz AHUSZLBTFDDFSE-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1sc2nc(C)nc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1C ZINC000590770319 1037030951 /nfs/dbraw/zinc/03/09/51/1037030951.db2.gz LENRBDYWTIPBES-CQSZACIVSA-N 1 2 327.457 3.655 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590732682 1037036234 /nfs/dbraw/zinc/03/62/34/1037036234.db2.gz NZLJCMFLXYGDOU-SFHVURJKSA-N 1 2 341.455 3.929 20 0 EHADLO Fc1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000178416044 1037038872 /nfs/dbraw/zinc/03/88/72/1037038872.db2.gz HNXGWBJBUCNWMQ-UHFFFAOYSA-N 1 2 335.419 3.617 20 0 EHADLO Fc1cc(C[N@H+]2CCOC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000178416044 1037038885 /nfs/dbraw/zinc/03/88/85/1037038885.db2.gz HNXGWBJBUCNWMQ-UHFFFAOYSA-N 1 2 335.419 3.617 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@H]1CCCC[C@H]1C ZINC000761507997 1037079575 /nfs/dbraw/zinc/07/95/75/1037079575.db2.gz PVEGPUBSHSVEKV-CVEARBPZSA-N 1 2 336.549 3.611 20 0 EHADLO C[C@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)Cn1cc[nH+]c1 ZINC000176658528 1037102574 /nfs/dbraw/zinc/10/25/74/1037102574.db2.gz FERBBTWHEWCRTF-CQSZACIVSA-N 1 2 333.863 3.558 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590860069 1037104350 /nfs/dbraw/zinc/10/43/50/1037104350.db2.gz LWQSRDCDTIFWKV-GUYCJALGSA-N 1 2 344.846 3.571 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](c3ccc(F)c(C)c3)C3CC3)ccn12 ZINC001127238210 1037112459 /nfs/dbraw/zinc/11/24/59/1037112459.db2.gz KWEMQYITGQIJCY-LJQANCHMSA-N 1 2 337.398 3.971 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539715821 1037115296 /nfs/dbraw/zinc/11/52/96/1037115296.db2.gz WGXHGSWSDZXHFS-HXUWFJFHSA-N 1 2 327.399 3.780 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539715821 1037115300 /nfs/dbraw/zinc/11/53/00/1037115300.db2.gz WGXHGSWSDZXHFS-HXUWFJFHSA-N 1 2 327.399 3.780 20 0 EHADLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1Cl ZINC000590906923 1037118699 /nfs/dbraw/zinc/11/86/99/1037118699.db2.gz MKYINSKGFHLMKX-UHFFFAOYSA-N 1 2 342.870 3.750 20 0 EHADLO CN(C)c1[nH+]cc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1C ZINC000414378758 1037142989 /nfs/dbraw/zinc/14/29/89/1037142989.db2.gz LJRHATATSSTWRE-LJQANCHMSA-N 1 2 338.430 3.504 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000187016870 1037170826 /nfs/dbraw/zinc/17/08/26/1037170826.db2.gz XQAMGMUZIGKIGK-QGZVFWFLSA-N 1 2 345.855 3.583 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000493290327 1037223850 /nfs/dbraw/zinc/22/38/50/1037223850.db2.gz PRAOMVVLSYSOAC-HJWRWDBZSA-N 1 2 331.366 3.673 20 0 EHADLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(COC)cc1 ZINC000539825304 1037228954 /nfs/dbraw/zinc/22/89/54/1037228954.db2.gz OYSZPWWQUPIWQK-FQEVSTJZSA-N 1 2 341.451 3.959 20 0 EHADLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(COC)cc1 ZINC000539825304 1037228971 /nfs/dbraw/zinc/22/89/71/1037228971.db2.gz OYSZPWWQUPIWQK-FQEVSTJZSA-N 1 2 341.451 3.959 20 0 EHADLO O=C(Cc1c(F)cccc1F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000087217984 1037233162 /nfs/dbraw/zinc/23/31/62/1037233162.db2.gz JPDIBAHSUUBPNH-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000591161335 1037254681 /nfs/dbraw/zinc/25/46/81/1037254681.db2.gz BNCNCAOANRQKGA-HNNXBMFYSA-N 1 2 344.484 3.635 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000591161335 1037254696 /nfs/dbraw/zinc/25/46/96/1037254696.db2.gz BNCNCAOANRQKGA-HNNXBMFYSA-N 1 2 344.484 3.635 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000539849006 1037280035 /nfs/dbraw/zinc/28/00/35/1037280035.db2.gz HIOXWKJSUVKXGM-GFCCVEGCSA-N 1 2 349.862 3.892 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000539849006 1037280048 /nfs/dbraw/zinc/28/00/48/1037280048.db2.gz HIOXWKJSUVKXGM-GFCCVEGCSA-N 1 2 349.862 3.892 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CSCc3ccccc32)s1 ZINC000591239113 1037284141 /nfs/dbraw/zinc/28/41/41/1037284141.db2.gz XLJJGCONEJRKCB-MFKMUULPSA-N 1 2 334.466 3.568 20 0 EHADLO O=C(/C=C\C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000493375555 1037303431 /nfs/dbraw/zinc/30/34/31/1037303431.db2.gz ZBGHMCKSTWMWLB-HJWRWDBZSA-N 1 2 327.472 3.672 20 0 EHADLO COc1ccc2nc(C[N@H+](Cc3cccnc3)C3CC3)sc2c1 ZINC000187360346 1037323746 /nfs/dbraw/zinc/32/37/46/1037323746.db2.gz YWFMZVLVHOGKDS-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO COc1ccc2nc(C[N@@H+](Cc3cccnc3)C3CC3)sc2c1 ZINC000187360346 1037323763 /nfs/dbraw/zinc/32/37/63/1037323763.db2.gz YWFMZVLVHOGKDS-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000088536873 1037382268 /nfs/dbraw/zinc/38/22/68/1037382268.db2.gz BFYDBUJEPUBZRI-XJKSGUPXSA-N 1 2 349.475 3.934 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000088536873 1037382285 /nfs/dbraw/zinc/38/22/85/1037382285.db2.gz BFYDBUJEPUBZRI-XJKSGUPXSA-N 1 2 349.475 3.934 20 0 EHADLO Cc1cn2cc(NC(=O)CNc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000591454280 1037414592 /nfs/dbraw/zinc/41/45/92/1037414592.db2.gz RBBNWVIHJAOEBY-UHFFFAOYSA-N 1 2 348.328 3.712 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nonc2C)cc1Br ZINC000924583894 1037436737 /nfs/dbraw/zinc/43/67/37/1037436737.db2.gz AWZODDRJDXGFTR-DTWKUNHWSA-N 1 2 340.221 3.561 20 0 EHADLO Cc1ccc(/C=C/C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000493547279 1037443762 /nfs/dbraw/zinc/44/37/62/1037443762.db2.gz FJKOOQIHGDTQSM-VTECNZMCSA-N 1 2 325.412 3.536 20 0 EHADLO C[C@H](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)n1cccn1 ZINC000573318084 1037463078 /nfs/dbraw/zinc/46/30/78/1037463078.db2.gz DVERKNXABTXHMM-OAHLLOKOSA-N 1 2 349.438 3.673 20 0 EHADLO FC(F)Oc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187697974 1037466525 /nfs/dbraw/zinc/46/65/25/1037466525.db2.gz HNLJQDLNEQFHOU-INIZCTEOSA-N 1 2 329.350 3.890 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000591522808 1037475733 /nfs/dbraw/zinc/47/57/33/1037475733.db2.gz YMLNVKNCPGADSX-INIZCTEOSA-N 1 2 333.476 3.590 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC=C(c2ccco2)C1 ZINC000493596028 1037480758 /nfs/dbraw/zinc/48/07/58/1037480758.db2.gz UEXBCUOEPREPRF-YFHOEESVSA-N 1 2 345.402 3.794 20 0 EHADLO C/C=C(/C=C\C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)CC ZINC000493599183 1037483426 /nfs/dbraw/zinc/48/34/26/1037483426.db2.gz RCPSGDLOFRYORY-XBKFHJTLSA-N 1 2 328.456 3.678 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000493624033 1037500001 /nfs/dbraw/zinc/50/00/01/1037500001.db2.gz RURAZFMXQSQIGC-WAYWQWQTSA-N 1 2 347.821 3.650 20 0 EHADLO FC(F)(F)c1nn(CCN2CCCc3ccccc32)c2cc[nH+]cc21 ZINC000540038197 1037505286 /nfs/dbraw/zinc/50/52/86/1037505286.db2.gz OLVHVAHWASDVBZ-UHFFFAOYSA-N 1 2 346.356 3.903 20 0 EHADLO CCn1nc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c2ccccc21 ZINC000545328951 1037544850 /nfs/dbraw/zinc/54/48/50/1037544850.db2.gz ONKRDWQVDMQBEW-CYBMUJFWSA-N 1 2 341.377 3.600 20 0 EHADLO CCn1nc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c2ccccc21 ZINC000545328951 1037544873 /nfs/dbraw/zinc/54/48/73/1037544873.db2.gz ONKRDWQVDMQBEW-CYBMUJFWSA-N 1 2 341.377 3.600 20 0 EHADLO CCn1nc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c2ccccc21 ZINC000545328952 1037545983 /nfs/dbraw/zinc/54/59/83/1037545983.db2.gz ONKRDWQVDMQBEW-ZDUSSCGKSA-N 1 2 341.377 3.600 20 0 EHADLO CCn1nc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c2ccccc21 ZINC000545328952 1037545992 /nfs/dbraw/zinc/54/59/92/1037545992.db2.gz ONKRDWQVDMQBEW-ZDUSSCGKSA-N 1 2 341.377 3.600 20 0 EHADLO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000347371472 1037566801 /nfs/dbraw/zinc/56/68/01/1037566801.db2.gz BTUOYKVULLIXGI-HZPDHXFCSA-N 1 2 347.256 3.751 20 0 EHADLO Brc1cc2cccnc2c(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000347371472 1037566809 /nfs/dbraw/zinc/56/68/09/1037566809.db2.gz BTUOYKVULLIXGI-HZPDHXFCSA-N 1 2 347.256 3.751 20 0 EHADLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000101866192 1037575332 /nfs/dbraw/zinc/57/53/32/1037575332.db2.gz JGZUOIMVRXUEOK-UHFFFAOYSA-N 1 2 331.847 3.678 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314836 1037588464 /nfs/dbraw/zinc/58/84/64/1037588464.db2.gz ALNKUFPYTWZXLM-SFHVURJKSA-N 1 2 340.471 3.641 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccoc1 ZINC000540169051 1037635405 /nfs/dbraw/zinc/63/54/05/1037635405.db2.gz QFIRBKPJPHSDCP-QMMMGPOBSA-N 1 2 344.724 3.845 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1C(F)F ZINC000493826611 1037637416 /nfs/dbraw/zinc/63/74/16/1037637416.db2.gz RNUNZGRAWVVRRW-CXOKCQFOSA-N 1 2 331.366 3.532 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)nnn1-c1ccccc1 ZINC000540176368 1037647022 /nfs/dbraw/zinc/64/70/22/1037647022.db2.gz CWYWHSJONRUDQP-BEFAXECRSA-N 1 2 348.450 3.977 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000172774638 1037647591 /nfs/dbraw/zinc/64/75/91/1037647591.db2.gz ACQBUVIAJUFEJN-RIEGTJTDSA-N 1 2 327.819 3.826 20 0 EHADLO Cc1ccc(CCC(=O)NCCn2c[nH+]cc2-c2ccccc2)s1 ZINC000913711424 1037652754 /nfs/dbraw/zinc/65/27/54/1037652754.db2.gz SLDXNSPGJYXLPI-UHFFFAOYSA-N 1 2 339.464 3.669 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc(Cl)s1 ZINC000493848412 1037664860 /nfs/dbraw/zinc/66/48/60/1037664860.db2.gz QKDBOUWIWRQNGH-VURMDHGXSA-N 1 2 335.860 3.606 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000573661640 1037674654 /nfs/dbraw/zinc/67/46/54/1037674654.db2.gz MHSMIDVYSMCNOZ-VPWXQRGCSA-N 1 2 344.503 3.543 20 0 EHADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000028621774 1037676076 /nfs/dbraw/zinc/67/60/76/1037676076.db2.gz CUYDJTKUCWNZQB-HXUWFJFHSA-N 1 2 347.418 3.560 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)sc2C1 ZINC000028836322 1037692166 /nfs/dbraw/zinc/69/21/66/1037692166.db2.gz RYCNVQAVDCOJSW-UHFFFAOYSA-N 1 2 346.843 3.518 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)sc2C1 ZINC000028836322 1037692177 /nfs/dbraw/zinc/69/21/77/1037692177.db2.gz RYCNVQAVDCOJSW-UHFFFAOYSA-N 1 2 346.843 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@H](c2ccccc2)c2ccccn2)c1C ZINC000110030457 1037695777 /nfs/dbraw/zinc/69/57/77/1037695777.db2.gz FKMBZDAFIIUHCV-HXUWFJFHSA-N 1 2 333.435 3.981 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838587 1037707159 /nfs/dbraw/zinc/70/71/59/1037707159.db2.gz TXAZBJVNVKRETR-GXTWGEPZSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000491838587 1037707181 /nfs/dbraw/zinc/70/71/81/1037707181.db2.gz TXAZBJVNVKRETR-GXTWGEPZSA-N 1 2 349.272 3.997 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000493892313 1037712612 /nfs/dbraw/zinc/71/26/12/1037712612.db2.gz UVOZUMSNFRANCY-UHFFFAOYSA-N 1 2 328.391 3.583 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000493892313 1037712632 /nfs/dbraw/zinc/71/26/32/1037712632.db2.gz UVOZUMSNFRANCY-UHFFFAOYSA-N 1 2 328.391 3.583 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000454144917 1037713984 /nfs/dbraw/zinc/71/39/84/1037713984.db2.gz ULKJSADSRAACBV-UHFFFAOYSA-N 1 2 337.345 3.717 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000429727288 1037737298 /nfs/dbraw/zinc/73/72/98/1037737298.db2.gz WLCPSQQUVUXVJU-INIZCTEOSA-N 1 2 343.452 3.648 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCCCCc2ccc(F)cc2)c[nH+]1 ZINC000897453522 1037755345 /nfs/dbraw/zinc/75/53/45/1037755345.db2.gz NEAATFNFRNSKMA-UHFFFAOYSA-N 1 2 331.435 3.595 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000491930423 1037771702 /nfs/dbraw/zinc/77/17/02/1037771702.db2.gz WSFYOFDGPHJLCO-FMFIFOJESA-N 1 2 344.484 3.583 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000053125301 1037800835 /nfs/dbraw/zinc/80/08/35/1037800835.db2.gz WWWVMQMSXOIVCK-HNNXBMFYSA-N 1 2 344.430 3.534 20 0 EHADLO CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000053125301 1037800847 /nfs/dbraw/zinc/80/08/47/1037800847.db2.gz WWWVMQMSXOIVCK-HNNXBMFYSA-N 1 2 344.430 3.534 20 0 EHADLO O=C(C[C@H]1OCCc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000115032292 1037817503 /nfs/dbraw/zinc/81/75/03/1037817503.db2.gz SIAZLFBCZQHPKZ-LJQANCHMSA-N 1 2 333.391 3.515 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)c1C ZINC000494099327 1037822110 /nfs/dbraw/zinc/82/21/10/1037822110.db2.gz RCBSFFPLAJQWPW-UHFFFAOYSA-N 1 2 337.423 3.630 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c1C ZINC000494099327 1037822132 /nfs/dbraw/zinc/82/21/32/1037822132.db2.gz RCBSFFPLAJQWPW-UHFFFAOYSA-N 1 2 337.423 3.630 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378083900 1037845100 /nfs/dbraw/zinc/84/51/00/1037845100.db2.gz LBEQPHWCWAUDTC-UHFFFAOYSA-N 1 2 329.469 3.525 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378083900 1037845118 /nfs/dbraw/zinc/84/51/18/1037845118.db2.gz LBEQPHWCWAUDTC-UHFFFAOYSA-N 1 2 329.469 3.525 20 0 EHADLO CC(C)([NH2+]Cc1csc(-c2ncccn2)n1)c1ccccc1F ZINC000491992766 1037845147 /nfs/dbraw/zinc/84/51/47/1037845147.db2.gz AHDPEQBTTGMGCW-UHFFFAOYSA-N 1 2 328.416 3.764 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942739 1037849705 /nfs/dbraw/zinc/84/97/05/1037849705.db2.gz OYMGXPOQPHFESY-UTKZUKDTSA-N 1 2 340.442 3.777 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942739 1037849725 /nfs/dbraw/zinc/84/97/25/1037849725.db2.gz OYMGXPOQPHFESY-UTKZUKDTSA-N 1 2 340.442 3.777 20 0 EHADLO Cc1c(Br)cccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079127 1037851603 /nfs/dbraw/zinc/85/16/03/1037851603.db2.gz PVIXGEPHTBOWMR-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1c(Br)cccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079127 1037851628 /nfs/dbraw/zinc/85/16/28/1037851628.db2.gz PVIXGEPHTBOWMR-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CC(C)CC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000760942486 1037868917 /nfs/dbraw/zinc/86/89/17/1037868917.db2.gz VBQWYYQTWUOCKQ-UHFFFAOYSA-N 1 2 325.456 3.830 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378088457 1037870120 /nfs/dbraw/zinc/87/01/20/1037870120.db2.gz RAKKFHSNKXSKPK-UHFFFAOYSA-N 1 2 330.240 3.798 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378088457 1037870138 /nfs/dbraw/zinc/87/01/38/1037870138.db2.gz RAKKFHSNKXSKPK-UHFFFAOYSA-N 1 2 330.240 3.798 20 0 EHADLO COCc1cccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000492021202 1037873414 /nfs/dbraw/zinc/87/34/14/1037873414.db2.gz FJNBGQNFIUEDPD-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO CCC(CC)n1ccc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000532610436 1037881982 /nfs/dbraw/zinc/88/19/82/1037881982.db2.gz RKVGZVXKYSCOMI-GOSISDBHSA-N 1 2 343.471 3.906 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000532610436 1037881994 /nfs/dbraw/zinc/88/19/94/1037881994.db2.gz RKVGZVXKYSCOMI-GOSISDBHSA-N 1 2 343.471 3.906 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCOc1cccc2ccccc21 ZINC000463228419 1037903706 /nfs/dbraw/zinc/90/37/06/1037903706.db2.gz FJHJWBAYWJNNDA-HXUWFJFHSA-N 1 2 336.435 3.631 20 0 EHADLO Cn1cccc1[C@H]1COCC[N@H+]1CCOc1cccc2ccccc21 ZINC000463228419 1037903714 /nfs/dbraw/zinc/90/37/14/1037903714.db2.gz FJHJWBAYWJNNDA-HXUWFJFHSA-N 1 2 336.435 3.631 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000038149974 1037940699 /nfs/dbraw/zinc/94/06/99/1037940699.db2.gz BTVJEXMGRNQBPG-UHFFFAOYSA-N 1 2 343.858 3.862 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3CCc4ccccc4C3)c12 ZINC000613343908 1037967622 /nfs/dbraw/zinc/96/76/22/1037967622.db2.gz MIMIIGARVRUHIM-KRWDZBQOSA-N 1 2 341.418 3.785 20 0 EHADLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000180035776 1038018774 /nfs/dbraw/zinc/01/87/74/1038018774.db2.gz CXWNPPFVQNRNHG-FQEVSTJZSA-N 1 2 349.434 3.691 20 0 EHADLO Cc1nc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)nc2ccccc12 ZINC000190973892 1038023820 /nfs/dbraw/zinc/02/38/20/1038023820.db2.gz YBQWRTCTHKKXSV-UHFFFAOYSA-N 1 2 325.456 3.862 20 0 EHADLO Cc1nc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)nc2ccccc12 ZINC000190973892 1038023838 /nfs/dbraw/zinc/02/38/38/1038023838.db2.gz YBQWRTCTHKKXSV-UHFFFAOYSA-N 1 2 325.456 3.862 20 0 EHADLO CC(C)Cc1ccc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123544420 1038034126 /nfs/dbraw/zinc/03/41/26/1038034126.db2.gz FOMOTEGCWZIZNE-PXNSSMCTSA-N 1 2 339.483 3.734 20 0 EHADLO Cc1noc(C)c1COc1ccccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000123839296 1038088410 /nfs/dbraw/zinc/08/84/10/1038088410.db2.gz CCONGISMVCZLHI-UHFFFAOYSA-N 1 2 337.379 3.826 20 0 EHADLO CC[C@H](C)[C@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000180286341 1038118627 /nfs/dbraw/zinc/11/86/27/1038118627.db2.gz LALCHCHPHUJANS-HOTGVXAUSA-N 1 2 331.504 3.520 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CC1CC1)c1ccccc1 ZINC000540588455 1038136384 /nfs/dbraw/zinc/13/63/84/1038136384.db2.gz QCCURDUICIIIDV-UHFFFAOYSA-N 1 2 331.419 3.988 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](Cc3ccccc3)C3CC3)nc(=O)c2c1C ZINC000124639413 1038214182 /nfs/dbraw/zinc/21/41/82/1038214182.db2.gz NIJGYEJGUFESBB-UHFFFAOYSA-N 1 2 339.464 3.766 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](Cc3ccccc3)C3CC3)nc(=O)c2c1C ZINC000124639413 1038214204 /nfs/dbraw/zinc/21/42/04/1038214204.db2.gz NIJGYEJGUFESBB-UHFFFAOYSA-N 1 2 339.464 3.766 20 0 EHADLO CCC(CC)[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000042896573 1038263858 /nfs/dbraw/zinc/26/38/58/1038263858.db2.gz RQRIJPHVKQKMSM-GOSISDBHSA-N 1 2 328.460 3.750 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000042895404 1038264993 /nfs/dbraw/zinc/26/49/93/1038264993.db2.gz KWQVPYPDYLPGLY-GOSISDBHSA-N 1 2 344.434 3.643 20 0 EHADLO COc1cccc(C=C2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000472948319 1038303372 /nfs/dbraw/zinc/30/33/72/1038303372.db2.gz IKDOCDWRQLLNIF-UHFFFAOYSA-N 1 2 336.435 3.813 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc2cc(Cl)ccc21 ZINC000532645918 1038319474 /nfs/dbraw/zinc/31/94/74/1038319474.db2.gz PYUWHWGWTYIBLP-CABCVRRESA-N 1 2 349.887 3.849 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)nc2cc(Cl)ccc21 ZINC000532645918 1038319489 /nfs/dbraw/zinc/31/94/89/1038319489.db2.gz PYUWHWGWTYIBLP-CABCVRRESA-N 1 2 349.887 3.849 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000378268305 1038338756 /nfs/dbraw/zinc/33/87/56/1038338756.db2.gz WLAYOPBRACWBLQ-IBGZPJMESA-N 1 2 345.446 3.568 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667112993 1038421167 /nfs/dbraw/zinc/42/11/67/1038421167.db2.gz ZFPNWJIEHWCPBE-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO COc1ncc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000368502732 1038429679 /nfs/dbraw/zinc/42/96/79/1038429679.db2.gz HPRCEYRYXUMJMC-SDBXPKJASA-N 1 2 340.757 3.806 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)COc2c(F)cccc2F)c(C)[nH+]1 ZINC000667119603 1038456153 /nfs/dbraw/zinc/45/61/53/1038456153.db2.gz XOJKEFOFAYSJRK-GFCCVEGCSA-N 1 2 349.381 3.874 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccnc3ccccc23)c(C)[nH+]1 ZINC000667119351 1038457266 /nfs/dbraw/zinc/45/72/66/1038457266.db2.gz QLRXRMPPOQAVQB-UHFFFAOYSA-N 1 2 334.423 3.919 20 0 EHADLO O=C(Nc1cnc(-c2ccccc2)s1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538715919 1038487333 /nfs/dbraw/zinc/48/73/33/1038487333.db2.gz BEELBJJNRYFPMS-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000538720154 1038489897 /nfs/dbraw/zinc/48/98/97/1038489897.db2.gz JLDZWIRAHJXYHA-AWEZNQCLSA-N 1 2 333.863 3.835 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732691 1038498970 /nfs/dbraw/zinc/49/89/70/1038498970.db2.gz IZZHSQDCGFHLHP-CMPLNLGQSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732691 1038498974 /nfs/dbraw/zinc/49/89/74/1038498974.db2.gz IZZHSQDCGFHLHP-CMPLNLGQSA-N 1 2 328.161 3.881 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000538750799 1038516700 /nfs/dbraw/zinc/51/67/00/1038516700.db2.gz ZKIOSFGWVYOELV-HNNXBMFYSA-N 1 2 345.439 3.569 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000538750799 1038516708 /nfs/dbraw/zinc/51/67/08/1038516708.db2.gz ZKIOSFGWVYOELV-HNNXBMFYSA-N 1 2 345.439 3.569 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000538810003 1038547253 /nfs/dbraw/zinc/54/72/53/1038547253.db2.gz QPKWKXFPPQQKNO-SFHVURJKSA-N 1 2 349.434 3.531 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000538810003 1038547261 /nfs/dbraw/zinc/54/72/61/1038547261.db2.gz QPKWKXFPPQQKNO-SFHVURJKSA-N 1 2 349.434 3.531 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000659971602 1038568410 /nfs/dbraw/zinc/56/84/10/1038568410.db2.gz QFCCURMYULRTGY-UHFFFAOYSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000659971602 1038568418 /nfs/dbraw/zinc/56/84/18/1038568418.db2.gz QFCCURMYULRTGY-UHFFFAOYSA-N 1 2 345.668 3.500 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2nsc3ccccc32)[C@@H](CC)CN1C(C)=O ZINC000659977254 1038591813 /nfs/dbraw/zinc/59/18/13/1038591813.db2.gz LTZQLRANEWUTLR-LSDHHAIUSA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2nsc3ccccc32)[C@@H](CC)CN1C(C)=O ZINC000659977254 1038591817 /nfs/dbraw/zinc/59/18/17/1038591817.db2.gz LTZQLRANEWUTLR-LSDHHAIUSA-N 1 2 331.485 3.518 20 0 EHADLO Cc1cc(NC2CCC(O)(c3cccnc3)CC2)nc(C2CCC2)[nH+]1 ZINC000893231703 1038597975 /nfs/dbraw/zinc/59/79/75/1038597975.db2.gz GWYDPIOKKBSRBK-UHFFFAOYSA-N 1 2 338.455 3.690 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(C)(F)F)n2)C1 ZINC000643134104 1038616604 /nfs/dbraw/zinc/61/66/04/1038616604.db2.gz MNWQSSFVGQSYQK-LLVKDONJSA-N 1 2 331.432 3.749 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(C)(F)F)n2)C1 ZINC000643134104 1038616607 /nfs/dbraw/zinc/61/66/07/1038616607.db2.gz MNWQSSFVGQSYQK-LLVKDONJSA-N 1 2 331.432 3.749 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378495770 1038670433 /nfs/dbraw/zinc/67/04/33/1038670433.db2.gz YFEDMDRSGFABRK-INIZCTEOSA-N 1 2 327.428 3.702 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378495770 1038670436 /nfs/dbraw/zinc/67/04/36/1038670436.db2.gz YFEDMDRSGFABRK-INIZCTEOSA-N 1 2 327.428 3.702 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1ccccc1Cl)c1occc1C ZINC000924683135 1038673746 /nfs/dbraw/zinc/67/37/46/1038673746.db2.gz FBJXUYNRNOWPCP-INIZCTEOSA-N 1 2 344.846 3.926 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH]1 ZINC000660040354 1038761083 /nfs/dbraw/zinc/76/10/83/1038761083.db2.gz CTCBQRUKJIOFAX-LBPRGKRZSA-N 1 2 339.418 3.838 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH]1 ZINC000660040354 1038761096 /nfs/dbraw/zinc/76/10/96/1038761096.db2.gz CTCBQRUKJIOFAX-LBPRGKRZSA-N 1 2 339.418 3.838 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@H]2CCOC2)cc1 ZINC000539296803 1038765614 /nfs/dbraw/zinc/76/56/14/1038765614.db2.gz DSEFBNCJNOILQR-WMZOPIPTSA-N 1 2 327.428 3.595 20 0 EHADLO CCC[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCO1 ZINC000552035918 1038779300 /nfs/dbraw/zinc/77/93/00/1038779300.db2.gz OBRDWISZYPOPRJ-TVFCKZIOSA-N 1 2 345.487 3.516 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@](C)(C(F)F)O1 ZINC000668823278 1038851953 /nfs/dbraw/zinc/85/19/53/1038851953.db2.gz IBSRIDWAFLYHSS-MEDUHNTESA-N 1 2 335.341 3.575 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@](C)(C(F)F)O1 ZINC000668823278 1038851979 /nfs/dbraw/zinc/85/19/79/1038851979.db2.gz IBSRIDWAFLYHSS-MEDUHNTESA-N 1 2 335.341 3.575 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1Cl ZINC000431896004 1038915591 /nfs/dbraw/zinc/91/55/91/1038915591.db2.gz JUOBJLQDWDCIEM-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000488162217 1038921086 /nfs/dbraw/zinc/92/10/86/1038921086.db2.gz WDXCTTWPGMBGTO-FQEVSTJZSA-N 1 2 326.440 3.662 20 0 EHADLO CC[C@@]1(C)COCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000488162217 1038921092 /nfs/dbraw/zinc/92/10/92/1038921092.db2.gz WDXCTTWPGMBGTO-FQEVSTJZSA-N 1 2 326.440 3.662 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000184851088 1038932827 /nfs/dbraw/zinc/93/28/27/1038932827.db2.gz FUFRCHGYUBGMIZ-MRXNPFEDSA-N 1 2 343.471 3.885 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@]2(C1)OCc1ccccc12 ZINC000663818186 1038951704 /nfs/dbraw/zinc/95/17/04/1038951704.db2.gz DIOUCXFBJGNZFL-OAQYLSRUSA-N 1 2 331.419 3.843 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000488235900 1038994617 /nfs/dbraw/zinc/99/46/17/1038994617.db2.gz UNZQPYBERWGUIA-JKSUJKDBSA-N 1 2 347.459 3.660 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000488235900 1038994628 /nfs/dbraw/zinc/99/46/28/1038994628.db2.gz UNZQPYBERWGUIA-JKSUJKDBSA-N 1 2 347.459 3.660 20 0 EHADLO CC(C)[C@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473010446 1039068632 /nfs/dbraw/zinc/06/86/32/1039068632.db2.gz QFWLLBPYCDMCEV-PMPSAXMXSA-N 1 2 340.508 3.801 20 0 EHADLO CC(C)[C@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473010446 1039068652 /nfs/dbraw/zinc/06/86/52/1039068652.db2.gz QFWLLBPYCDMCEV-PMPSAXMXSA-N 1 2 340.508 3.801 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccc(F)cc1F ZINC000477994417 1039103808 /nfs/dbraw/zinc/10/38/08/1039103808.db2.gz DCYLVPIZCVQVCJ-UHFFFAOYSA-N 1 2 327.334 3.845 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2)ccc1F ZINC000554241253 1039116644 /nfs/dbraw/zinc/11/66/44/1039116644.db2.gz GNOUOIANZCBNGS-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccnc3)n2)ccc1F ZINC000554241253 1039116652 /nfs/dbraw/zinc/11/66/52/1039116652.db2.gz GNOUOIANZCBNGS-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000552269864 1039128044 /nfs/dbraw/zinc/12/80/44/1039128044.db2.gz VKURBJOMLGFSDZ-DZOHQFGASA-N 1 2 333.472 3.658 20 0 EHADLO CCOC(=O)c1csc(C2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)n1 ZINC000429580102 1039139825 /nfs/dbraw/zinc/13/98/25/1039139825.db2.gz NWRQKQJQOBZJFU-GFCCVEGCSA-N 1 2 349.456 3.557 20 0 EHADLO C[C@@H](c1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503496 1039178067 /nfs/dbraw/zinc/17/80/67/1039178067.db2.gz MGEBPJFNPVKFFH-WFASDCNBSA-N 1 2 346.368 3.516 20 0 EHADLO C[C@@H](c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1)C(F)(F)F ZINC000898503496 1039178074 /nfs/dbraw/zinc/17/80/74/1039178074.db2.gz MGEBPJFNPVKFFH-WFASDCNBSA-N 1 2 346.368 3.516 20 0 EHADLO CC(F)(F)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000458820311 1039205673 /nfs/dbraw/zinc/20/56/73/1039205673.db2.gz QODUPIKJUCYHLU-UHFFFAOYSA-N 1 2 348.397 3.611 20 0 EHADLO CC(F)(F)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000458820311 1039205690 /nfs/dbraw/zinc/20/56/90/1039205690.db2.gz QODUPIKJUCYHLU-UHFFFAOYSA-N 1 2 348.397 3.611 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000488464893 1039205933 /nfs/dbraw/zinc/20/59/33/1039205933.db2.gz NOPDIYBWLWJCTC-BQFCYCMXSA-N 1 2 341.503 3.633 20 0 EHADLO CC(C)Oc1cc(C[N@H+](Cc2cnn(C(C)(C)C)c2)C2CC2)ccn1 ZINC000660124143 1039257198 /nfs/dbraw/zinc/25/71/98/1039257198.db2.gz SEPRGXIRCPKLRT-UHFFFAOYSA-N 1 2 342.487 3.985 20 0 EHADLO CC(C)Oc1cc(C[N@@H+](Cc2cnn(C(C)(C)C)c2)C2CC2)ccn1 ZINC000660124143 1039257204 /nfs/dbraw/zinc/25/72/04/1039257204.db2.gz SEPRGXIRCPKLRT-UHFFFAOYSA-N 1 2 342.487 3.985 20 0 EHADLO COc1ncccc1C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000151144599 1039293311 /nfs/dbraw/zinc/29/33/11/1039293311.db2.gz REGRDOYQHOYFFI-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO OC[C@]1(F)CN(c2[nH+]ccc3cc(F)ccc32)C[C@H]1c1ccccc1 ZINC000584588041 1039312235 /nfs/dbraw/zinc/31/22/35/1039312235.db2.gz NVWYIZBVTWPKTB-AZUAARDMSA-N 1 2 340.373 3.678 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000614063091 1039328870 /nfs/dbraw/zinc/32/88/70/1039328870.db2.gz UYVBQQCNXLKXQL-ZACQAIPSSA-N 1 2 343.858 3.931 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCC1 ZINC000667649343 1039361133 /nfs/dbraw/zinc/36/11/33/1039361133.db2.gz QOEGZRGGFUSEOM-MRXNPFEDSA-N 1 2 333.819 3.669 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464415 1039361876 /nfs/dbraw/zinc/36/18/76/1039361876.db2.gz WACURZANLQJXSS-WBVHZDCISA-N 1 2 341.459 3.759 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCCO1 ZINC000667648858 1039362755 /nfs/dbraw/zinc/36/27/55/1039362755.db2.gz BTNZRGAGEAUJIQ-WBMJQRKESA-N 1 2 333.819 3.669 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1ccccc1 ZINC000554465977 1039364824 /nfs/dbraw/zinc/36/48/24/1039364824.db2.gz MGEHCLDTLASYCU-HNAYVOBHSA-N 1 2 347.422 3.551 20 0 EHADLO COc1ccc(CN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000584617442 1039376318 /nfs/dbraw/zinc/37/63/18/1039376318.db2.gz UIRGXCBBPGTOCL-JKSUJKDBSA-N 1 2 341.455 3.670 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2cc(Br)cs2)c(C)[nH+]1 ZINC000906243197 1039404686 /nfs/dbraw/zinc/40/46/86/1039404686.db2.gz RQXLPNUULWTVOX-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3cccs3)C2)c(C)[nH+]1 ZINC000408407937 1039418849 /nfs/dbraw/zinc/41/88/49/1039418849.db2.gz NBQCHBVVOZLCSQ-CQSZACIVSA-N 1 2 331.441 3.674 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3cccs3)C2)c(C)[nH+]1 ZINC000408407927 1039422378 /nfs/dbraw/zinc/42/23/78/1039422378.db2.gz NBQCHBVVOZLCSQ-AWEZNQCLSA-N 1 2 331.441 3.674 20 0 EHADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1OCC1CCCCC1 ZINC000554513675 1039422957 /nfs/dbraw/zinc/42/29/57/1039422957.db2.gz SYLCQNHOTSGGQS-UHFFFAOYSA-N 1 2 341.455 3.869 20 0 EHADLO CC(C)[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc21 ZINC000345045428 1039424287 /nfs/dbraw/zinc/42/42/87/1039424287.db2.gz UTAHWJHBGCXZCV-RTBURBONSA-N 1 2 346.434 3.882 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)nn1 ZINC000906273097 1039429873 /nfs/dbraw/zinc/42/98/73/1039429873.db2.gz QVVSODWJGFBBMT-OXJNMPFZSA-N 1 2 340.471 3.539 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)nn1 ZINC000906273097 1039429887 /nfs/dbraw/zinc/42/98/87/1039429887.db2.gz QVVSODWJGFBBMT-OXJNMPFZSA-N 1 2 340.471 3.539 20 0 EHADLO Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]Cc1cn(C2CC2)nn1 ZINC000906286455 1039449127 /nfs/dbraw/zinc/44/91/27/1039449127.db2.gz UKBQVCWBCSURFM-FQEVSTJZSA-N 1 2 336.414 3.826 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718655 1039458368 /nfs/dbraw/zinc/45/83/68/1039458368.db2.gz FFKZSMSWFNSCFU-IRWQIABSSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718655 1039458384 /nfs/dbraw/zinc/45/83/84/1039458384.db2.gz FFKZSMSWFNSCFU-IRWQIABSSA-N 1 2 338.442 3.899 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000584689235 1039509886 /nfs/dbraw/zinc/50/98/86/1039509886.db2.gz DRGZSBCABGNZNR-WMZOPIPTSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1[C@@H]1CCCO1 ZINC000584689235 1039509900 /nfs/dbraw/zinc/50/99/00/1039509900.db2.gz DRGZSBCABGNZNR-WMZOPIPTSA-N 1 2 347.409 3.540 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c(C)[nH+]1 ZINC000906445637 1039568382 /nfs/dbraw/zinc/56/83/82/1039568382.db2.gz NAXNPTPNUYGQQK-CYBMUJFWSA-N 1 2 339.464 3.978 20 0 EHADLO Brc1cnc([C@H]2CCC[N@@H+]2CCc2cccs2)nc1 ZINC000932255285 1039575410 /nfs/dbraw/zinc/57/54/10/1039575410.db2.gz CPXXMPXKQPMYJZ-CYBMUJFWSA-N 1 2 338.274 3.680 20 0 EHADLO Brc1cnc([C@H]2CCC[N@H+]2CCc2cccs2)nc1 ZINC000932255285 1039575427 /nfs/dbraw/zinc/57/54/27/1039575427.db2.gz CPXXMPXKQPMYJZ-CYBMUJFWSA-N 1 2 338.274 3.680 20 0 EHADLO c1ncc(-c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2)o1 ZINC000906508242 1039603061 /nfs/dbraw/zinc/60/30/61/1039603061.db2.gz PUSOJXAHNOCQJQ-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO c1ncc(-c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2)o1 ZINC000906508242 1039603076 /nfs/dbraw/zinc/60/30/76/1039603076.db2.gz PUSOJXAHNOCQJQ-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(-c2cnco2)cc1 ZINC000906508209 1039603822 /nfs/dbraw/zinc/60/38/22/1039603822.db2.gz OGACZBWJDVAMSW-UHFFFAOYSA-N 1 2 348.410 3.848 20 0 EHADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489134728 1039662168 /nfs/dbraw/zinc/66/21/68/1039662168.db2.gz YBGZPSQQBLMGCP-HNBVOPMISA-N 1 2 349.478 3.559 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1 ZINC000554747198 1039683852 /nfs/dbraw/zinc/68/38/52/1039683852.db2.gz INGKNWFDOSCBNT-HXUWFJFHSA-N 1 2 326.440 3.541 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1 ZINC000554747198 1039683858 /nfs/dbraw/zinc/68/38/58/1039683858.db2.gz INGKNWFDOSCBNT-HXUWFJFHSA-N 1 2 326.440 3.541 20 0 EHADLO Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)c(Cl)c1Cl ZINC000898909231 1039697387 /nfs/dbraw/zinc/69/73/87/1039697387.db2.gz LGSDFOPDSNUNQU-UHFFFAOYSA-N 1 2 326.227 3.663 20 0 EHADLO CC(C)(CNC(=O)CCc1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000898910820 1039699366 /nfs/dbraw/zinc/69/93/66/1039699366.db2.gz YDKSKNQFJZEJAK-UHFFFAOYSA-N 1 2 340.254 3.674 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000041130595 1039730612 /nfs/dbraw/zinc/73/06/12/1039730612.db2.gz XULVXUVBBBCADU-IBGZPJMESA-N 1 2 337.467 3.560 20 0 EHADLO Clc1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000893863611 1039766617 /nfs/dbraw/zinc/76/66/17/1039766617.db2.gz JWQQNZSPENIZNK-AWEZNQCLSA-N 1 2 349.887 3.580 20 0 EHADLO Clc1nc(N2CCOCC2)sc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000893863611 1039766638 /nfs/dbraw/zinc/76/66/38/1039766638.db2.gz JWQQNZSPENIZNK-AWEZNQCLSA-N 1 2 349.887 3.580 20 0 EHADLO O=C(COCC1CCCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000567460408 1039770305 /nfs/dbraw/zinc/77/03/05/1039770305.db2.gz MGOIFVCNGDAQCP-UHFFFAOYSA-N 1 2 333.819 3.671 20 0 EHADLO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906894261 1039816409 /nfs/dbraw/zinc/81/64/09/1039816409.db2.gz JNXDMFVRYALKKE-GOSISDBHSA-N 1 2 326.440 3.511 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC)Cc1nc(Br)nn1C ZINC000893952791 1039880540 /nfs/dbraw/zinc/88/05/40/1039880540.db2.gz VIHTUMOEPPHQDQ-CYBMUJFWSA-N 1 2 337.265 3.551 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1nc(Br)nn1C ZINC000893952791 1039880562 /nfs/dbraw/zinc/88/05/62/1039880562.db2.gz VIHTUMOEPPHQDQ-CYBMUJFWSA-N 1 2 337.265 3.551 20 0 EHADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889645 1039889298 /nfs/dbraw/zinc/88/92/98/1039889298.db2.gz YCCUDOTVOYSEBQ-ZFWWWQNUSA-N 1 2 335.444 3.526 20 0 EHADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889645 1039889320 /nfs/dbraw/zinc/88/93/20/1039889320.db2.gz YCCUDOTVOYSEBQ-ZFWWWQNUSA-N 1 2 335.444 3.526 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnc(F)c(C)c3)n2)cc1 ZINC000893977090 1039916579 /nfs/dbraw/zinc/91/65/79/1039916579.db2.gz VNGBZYNNIPMJIH-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO CCSc1ccccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553294164 1039938328 /nfs/dbraw/zinc/93/83/28/1039938328.db2.gz BVQCQPSVCLCLOJ-UHFFFAOYSA-N 1 2 338.436 3.691 20 0 EHADLO C[C@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCc2ccccc21 ZINC000553296012 1039940854 /nfs/dbraw/zinc/94/08/54/1039940854.db2.gz DITXPHUATSECGN-NRFANRHFSA-N 1 2 346.434 3.559 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnc(F)cc2C)C3)cc1 ZINC000894008148 1039947170 /nfs/dbraw/zinc/94/71/70/1039947170.db2.gz MLGXOJHINJCULG-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnc(F)cc2C)C3)cc1 ZINC000894008148 1039947188 /nfs/dbraw/zinc/94/71/88/1039947188.db2.gz MLGXOJHINJCULG-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc(CC(F)(F)F)s2)[nH]1 ZINC000894008100 1039947388 /nfs/dbraw/zinc/94/73/88/1039947388.db2.gz LPFCKARRMGCVSI-BDAKNGLRSA-N 1 2 347.410 3.730 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000567484637 1039964667 /nfs/dbraw/zinc/96/46/67/1039964667.db2.gz VDWDXIBFXKCOQR-SNVBAGLBSA-N 1 2 326.227 3.554 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000567484637 1039964679 /nfs/dbraw/zinc/96/46/79/1039964679.db2.gz VDWDXIBFXKCOQR-SNVBAGLBSA-N 1 2 326.227 3.554 20 0 EHADLO CSc1ccsc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927093787 1040003028 /nfs/dbraw/zinc/00/30/28/1040003028.db2.gz RXMYXGLSRZGOSS-UHFFFAOYSA-N 1 2 333.482 3.582 20 0 EHADLO COCC[N@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCO[C@@H]1C ZINC000489471844 1040013090 /nfs/dbraw/zinc/01/30/90/1040013090.db2.gz ODXJGUVDYCLBJH-PBHICJAKSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCO[C@@H]1C ZINC000489471844 1040013108 /nfs/dbraw/zinc/01/31/08/1040013108.db2.gz ODXJGUVDYCLBJH-PBHICJAKSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCO[C@H]1C ZINC000489471846 1040014456 /nfs/dbraw/zinc/01/44/56/1040014456.db2.gz ODXJGUVDYCLBJH-WMLDXEAASA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCO[C@H]1C ZINC000489471846 1040014470 /nfs/dbraw/zinc/01/44/70/1040014470.db2.gz ODXJGUVDYCLBJH-WMLDXEAASA-N 1 2 338.517 3.817 20 0 EHADLO CC(C)(CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1F ZINC000554986205 1040020130 /nfs/dbraw/zinc/02/01/30/1040020130.db2.gz DURZGCFHNOYGGS-UHFFFAOYSA-N 1 2 326.375 3.573 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cn1 ZINC000549844873 1040029540 /nfs/dbraw/zinc/02/95/40/1040029540.db2.gz BSDVGCPGERDFTQ-IBGZPJMESA-N 1 2 331.410 3.748 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cn1 ZINC000549844873 1040029560 /nfs/dbraw/zinc/02/95/60/1040029560.db2.gz BSDVGCPGERDFTQ-IBGZPJMESA-N 1 2 331.410 3.748 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000907427166 1040053349 /nfs/dbraw/zinc/05/33/49/1040053349.db2.gz XWRSJEKRWSMEBV-KRWDZBQOSA-N 1 2 344.842 3.874 20 0 EHADLO Cc1cc(F)ccc1C1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC000428731952 1040118293 /nfs/dbraw/zinc/11/82/93/1040118293.db2.gz ZLDOIWNNUVLJQY-UHFFFAOYSA-N 1 2 330.451 3.761 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000486449824 1040145251 /nfs/dbraw/zinc/14/52/51/1040145251.db2.gz UZDOJUPTXFCJTK-QGZVFWFLSA-N 1 2 326.419 3.948 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000486449824 1040145262 /nfs/dbraw/zinc/14/52/62/1040145262.db2.gz UZDOJUPTXFCJTK-QGZVFWFLSA-N 1 2 326.419 3.948 20 0 EHADLO CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000912717559 1040146365 /nfs/dbraw/zinc/14/63/65/1040146365.db2.gz YZVBSXPKKSVHBW-QFBILLFUSA-N 1 2 340.471 3.788 20 0 EHADLO CC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@H](C)c1cccc(O)c1 ZINC000153986905 1040150374 /nfs/dbraw/zinc/15/03/74/1040150374.db2.gz OSUVBTZKTIKIQR-GFCCVEGCSA-N 1 2 340.427 3.711 20 0 EHADLO CC[N@@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@H](C)c1cccc(O)c1 ZINC000153986905 1040150388 /nfs/dbraw/zinc/15/03/88/1040150388.db2.gz OSUVBTZKTIKIQR-GFCCVEGCSA-N 1 2 340.427 3.711 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000419214204 1040156957 /nfs/dbraw/zinc/15/69/57/1040156957.db2.gz XFQAQXKCEVHDGM-QZTJIDSGSA-N 1 2 329.444 3.539 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000419214204 1040156965 /nfs/dbraw/zinc/15/69/65/1040156965.db2.gz XFQAQXKCEVHDGM-QZTJIDSGSA-N 1 2 329.444 3.539 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CNc1cccc[nH+]1 ZINC000907778250 1040167150 /nfs/dbraw/zinc/16/71/50/1040167150.db2.gz JPJAKOHZSINTAJ-CQSZACIVSA-N 1 2 337.345 3.612 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(C)(F)F ZINC000907816567 1040183794 /nfs/dbraw/zinc/18/37/94/1040183794.db2.gz VLRRNXUZGQOPSR-AAEUAGOBSA-N 1 2 339.430 3.722 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(C)(F)F ZINC000907816567 1040183802 /nfs/dbraw/zinc/18/38/02/1040183802.db2.gz VLRRNXUZGQOPSR-AAEUAGOBSA-N 1 2 339.430 3.722 20 0 EHADLO Cc1cnc2c(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cccc2c1Cl ZINC000912751536 1040222009 /nfs/dbraw/zinc/22/20/09/1040222009.db2.gz JXGVRSUSRPKSSB-CHWSQXEVSA-N 1 2 340.814 3.672 20 0 EHADLO CC(C)(C)C(=O)c1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651449580 1040246063 /nfs/dbraw/zinc/24/60/63/1040246063.db2.gz MUGHUZSSOULKIH-UHFFFAOYSA-N 1 2 339.439 3.629 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000553634711 1040258953 /nfs/dbraw/zinc/25/89/53/1040258953.db2.gz ARUTURODMLBPLJ-UHFFFAOYSA-N 1 2 348.450 3.805 20 0 EHADLO CCC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3[nH]c[nH+]c3C)sc2C1 ZINC000553658575 1040283327 /nfs/dbraw/zinc/28/33/27/1040283327.db2.gz RSPTYOMUGUAUKA-LBPRGKRZSA-N 1 2 346.500 3.897 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000908077249 1040287626 /nfs/dbraw/zinc/28/76/26/1040287626.db2.gz UMBUUKQCAYTDSV-SJORKVTESA-N 1 2 331.847 3.838 20 0 EHADLO O=C([C@H]1CCCC(F)(F)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000500005540 1040296955 /nfs/dbraw/zinc/29/69/55/1040296955.db2.gz DTASVDHXXJWYJX-MTIYJEKLSA-N 1 2 348.437 3.670 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264892 1040444265 /nfs/dbraw/zinc/44/42/65/1040444265.db2.gz VNPBVKZWDXWCBE-HOTGVXAUSA-N 1 2 339.430 3.588 20 0 EHADLO CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264892 1040444281 /nfs/dbraw/zinc/44/42/81/1040444281.db2.gz VNPBVKZWDXWCBE-HOTGVXAUSA-N 1 2 339.430 3.588 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000908427745 1040448096 /nfs/dbraw/zinc/44/80/96/1040448096.db2.gz PZGQMCIGBBXJQC-INIZCTEOSA-N 1 2 331.847 3.620 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)[nH]1 ZINC000486803577 1040471545 /nfs/dbraw/zinc/47/15/45/1040471545.db2.gz ZVSSYODEJSNEGO-QWHCGFSZSA-N 1 2 330.480 3.950 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433026785 1040497207 /nfs/dbraw/zinc/49/72/07/1040497207.db2.gz HVZKTMLMZYXVPA-FYSMJZIKSA-N 1 2 343.492 3.563 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433026785 1040497212 /nfs/dbraw/zinc/49/72/12/1040497212.db2.gz HVZKTMLMZYXVPA-FYSMJZIKSA-N 1 2 343.492 3.563 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cncc(Br)c2C)s1 ZINC000667534126 1040509153 /nfs/dbraw/zinc/50/91/53/1040509153.db2.gz NUQJLZCTDPICIB-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cncc(Br)c2C)s1 ZINC000667534126 1040509171 /nfs/dbraw/zinc/50/91/71/1040509171.db2.gz NUQJLZCTDPICIB-UHFFFAOYSA-N 1 2 326.263 3.549 20 0 EHADLO Brc1ccc([C@@H]2CCCN2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667536228 1040521781 /nfs/dbraw/zinc/52/17/81/1040521781.db2.gz SDTMVLBIRULHJF-INIZCTEOSA-N 1 2 346.272 3.929 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152181450 1040526804 /nfs/dbraw/zinc/52/68/04/1040526804.db2.gz BMKWVDWIKJVODL-ZBFHGGJFSA-N 1 2 343.496 3.823 20 0 EHADLO CC(C)C[C@@H](c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1)n1cc[nH+]c1 ZINC000923816595 1040541795 /nfs/dbraw/zinc/54/17/95/1040541795.db2.gz NUGRFBWSFCSHDC-KRWDZBQOSA-N 1 2 348.410 3.959 20 0 EHADLO Fc1cccc(Br)c1C[NH2+][C@@H]1COCc2ccccc21 ZINC000418111924 1040603785 /nfs/dbraw/zinc/60/37/85/1040603785.db2.gz YKBYGKOTRRYKQS-MRXNPFEDSA-N 1 2 336.204 3.949 20 0 EHADLO COc1cccc2c(NCc3ccc(-n4ccnc4)nc3)c(C)c[nH+]c12 ZINC000364279646 1040668968 /nfs/dbraw/zinc/66/89/68/1040668968.db2.gz HGSRYDGPNCHBSL-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CCCC(O)(CCC)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211757820 1040685377 /nfs/dbraw/zinc/68/53/77/1040685377.db2.gz SCRFDWYBIXZQBS-UHFFFAOYSA-N 1 2 326.400 3.710 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)n1 ZINC000600130527 1040698886 /nfs/dbraw/zinc/69/88/86/1040698886.db2.gz ODKFEKBMTOMPHV-UHFFFAOYSA-N 1 2 339.222 3.855 20 0 EHADLO COC1CCC(Nc2nc[nH+]c(NC3CCC(OC)CC3)c2C)CC1 ZINC000663998757 1040723911 /nfs/dbraw/zinc/72/39/11/1040723911.db2.gz DYTXLEJBSWJCSA-UHFFFAOYSA-N 1 2 348.491 3.524 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)no1 ZINC000364303114 1040735619 /nfs/dbraw/zinc/73/56/19/1040735619.db2.gz MLUQIZDARDLZSP-KRWDZBQOSA-N 1 2 329.444 3.625 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000150731547 1040766399 /nfs/dbraw/zinc/76/63/99/1040766399.db2.gz FVGIRBJRJXQPAR-KRWDZBQOSA-N 1 2 337.467 3.800 20 0 EHADLO CC(C)Oc1cccc(F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001211773124 1040809311 /nfs/dbraw/zinc/80/93/11/1040809311.db2.gz NGEHWEAFEWACAK-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000487230457 1040817944 /nfs/dbraw/zinc/81/79/44/1040817944.db2.gz XJJGQRHFZFQRGG-KRWDZBQOSA-N 1 2 344.499 3.608 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000433124953 1040857654 /nfs/dbraw/zinc/85/76/54/1040857654.db2.gz HDFYSBVPPWPAGQ-UHFFFAOYSA-N 1 2 325.799 3.766 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000487276733 1040870538 /nfs/dbraw/zinc/87/05/38/1040870538.db2.gz KFDLQFLAYZJXQG-UHFFFAOYSA-N 1 2 329.831 3.985 20 0 EHADLO Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000924874754 1040915712 /nfs/dbraw/zinc/91/57/12/1040915712.db2.gz VGSJKMXHCFHUFD-VIFPVBQESA-N 1 2 332.757 3.610 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)COC(C)C)cs2)cc1 ZINC000433160433 1040929485 /nfs/dbraw/zinc/92/94/85/1040929485.db2.gz OJRTZVYHVHDKJV-SFHVURJKSA-N 1 2 348.512 3.590 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](C)[C@@H](CO)COC(C)C)cs2)cc1 ZINC000433160433 1040929497 /nfs/dbraw/zinc/92/94/97/1040929497.db2.gz OJRTZVYHVHDKJV-SFHVURJKSA-N 1 2 348.512 3.590 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000563070515 1040977792 /nfs/dbraw/zinc/97/77/92/1040977792.db2.gz AYGCLYQWBLKCCI-FUHWJXTLSA-N 1 2 344.842 3.829 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000563070515 1040977816 /nfs/dbraw/zinc/97/78/16/1040977816.db2.gz AYGCLYQWBLKCCI-FUHWJXTLSA-N 1 2 344.842 3.829 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)CCCCc3ccccc3)[nH+]c12 ZINC000586752431 1040999741 /nfs/dbraw/zinc/99/97/41/1040999741.db2.gz NTRGQCMTBHDKFD-UHFFFAOYSA-N 1 2 335.451 3.667 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1CF ZINC000555696896 1041020344 /nfs/dbraw/zinc/02/03/44/1041020344.db2.gz MULWBAAYAYKOLX-APWZRJJASA-N 1 2 340.442 3.715 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]1CF ZINC000555696896 1041020357 /nfs/dbraw/zinc/02/03/57/1041020357.db2.gz MULWBAAYAYKOLX-APWZRJJASA-N 1 2 340.442 3.715 20 0 EHADLO CC(C)CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000046921218 1041034906 /nfs/dbraw/zinc/03/49/06/1041034906.db2.gz YCOUGJNIPAUTSK-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1Cl ZINC000668792203 1041063945 /nfs/dbraw/zinc/06/39/45/1041063945.db2.gz PIHHIJPDPQFVIW-CKEIUWERSA-N 1 2 331.847 3.691 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000481576197 1041084459 /nfs/dbraw/zinc/08/44/59/1041084459.db2.gz JACNYYPMZLAIBZ-ZFWWWQNUSA-N 1 2 331.378 3.790 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000481595489 1041124714 /nfs/dbraw/zinc/12/47/14/1041124714.db2.gz OWHVGBKHGXCKBX-CEXWTWQISA-N 1 2 347.499 3.510 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799828 1041132011 /nfs/dbraw/zinc/13/20/11/1041132011.db2.gz DYWOXRQNBIRBDX-KDOFPFPSSA-N 1 2 332.398 3.542 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCn3c(nnc3C(F)F)C2)C1 ZINC000668799828 1041132023 /nfs/dbraw/zinc/13/20/23/1041132023.db2.gz DYWOXRQNBIRBDX-KDOFPFPSSA-N 1 2 332.398 3.542 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000251045889 1041146830 /nfs/dbraw/zinc/14/68/30/1041146830.db2.gz QFDOIYXKNKUCDM-BBRMVZONSA-N 1 2 343.496 3.881 20 0 EHADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000251045889 1041146840 /nfs/dbraw/zinc/14/68/40/1041146840.db2.gz QFDOIYXKNKUCDM-BBRMVZONSA-N 1 2 343.496 3.881 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279013 1041189147 /nfs/dbraw/zinc/18/91/47/1041189147.db2.gz NNVBXTKPUQTAPX-OLZOCXBDSA-N 1 2 340.172 3.980 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000433279013 1041189155 /nfs/dbraw/zinc/18/91/55/1041189155.db2.gz NNVBXTKPUQTAPX-OLZOCXBDSA-N 1 2 340.172 3.980 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000487987677 1041222642 /nfs/dbraw/zinc/22/26/42/1041222642.db2.gz KLRWIAZORZQDFZ-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2C)cc1 ZINC000487987677 1041222656 /nfs/dbraw/zinc/22/26/56/1041222656.db2.gz KLRWIAZORZQDFZ-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000412079877 1041241189 /nfs/dbraw/zinc/24/11/89/1041241189.db2.gz KKRPBVVHMSFHGL-OXQOHEQNSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC000412079877 1041241205 /nfs/dbraw/zinc/24/12/05/1041241205.db2.gz KKRPBVVHMSFHGL-OXQOHEQNSA-N 1 2 343.492 3.561 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433305691 1041248202 /nfs/dbraw/zinc/24/82/02/1041248202.db2.gz QPDSUEFMMCRBOO-OAHLLOKOSA-N 1 2 344.842 3.777 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433305691 1041248216 /nfs/dbraw/zinc/24/82/16/1041248216.db2.gz QPDSUEFMMCRBOO-OAHLLOKOSA-N 1 2 344.842 3.777 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000555870760 1041255091 /nfs/dbraw/zinc/25/50/91/1041255091.db2.gz LJCROSRCZZKIBU-BLLLJJGKSA-N 1 2 333.794 3.590 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000367682584 1041260106 /nfs/dbraw/zinc/26/01/06/1041260106.db2.gz GZZPNQKCGJTCCH-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000367682584 1041260119 /nfs/dbraw/zinc/26/01/19/1041260119.db2.gz GZZPNQKCGJTCCH-VXGBXAGGSA-N 1 2 334.407 3.801 20 0 EHADLO Cc1ccc(F)c(Br)c1NC(=O)CCCn1cc[nH+]c1 ZINC000661631491 1041262709 /nfs/dbraw/zinc/26/27/09/1041262709.db2.gz KVVLUJHQXHKEPR-UHFFFAOYSA-N 1 2 340.196 3.512 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCCc1ccccc1F ZINC000481702976 1041273025 /nfs/dbraw/zinc/27/30/25/1041273025.db2.gz PXRAZCXDSOWONX-IBGZPJMESA-N 1 2 329.415 3.522 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000252321667 1041302984 /nfs/dbraw/zinc/30/29/84/1041302984.db2.gz UKJYGWVSQBRPOS-HUUCEWRRSA-N 1 2 346.862 3.509 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000252321667 1041302997 /nfs/dbraw/zinc/30/29/97/1041302997.db2.gz UKJYGWVSQBRPOS-HUUCEWRRSA-N 1 2 346.862 3.509 20 0 EHADLO Cc1cc(NCc2ccc3c(c2)sc(=O)n3C)ccc1[NH+](C)C ZINC000195083271 1041378486 /nfs/dbraw/zinc/37/84/86/1041378486.db2.gz ZYBRNPVJAMWSPG-UHFFFAOYSA-N 1 2 327.453 3.587 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)s1 ZINC000109582758 1041419563 /nfs/dbraw/zinc/41/95/63/1041419563.db2.gz ASDKIFFXPZJNLS-UHFFFAOYSA-N 1 2 341.436 3.606 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000111203252 1041534316 /nfs/dbraw/zinc/53/43/16/1041534316.db2.gz CJPTZPIJBANUKF-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H]2c2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000111203252 1041534324 /nfs/dbraw/zinc/53/43/24/1041534324.db2.gz CJPTZPIJBANUKF-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523057 1041642337 /nfs/dbraw/zinc/64/23/37/1041642337.db2.gz RMWRETKNZDLEIH-QGZVFWFLSA-N 1 2 335.432 3.839 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccc(N(C)C)nc3)nc2c1 ZINC000660550109 1041658683 /nfs/dbraw/zinc/65/86/83/1041658683.db2.gz FTMLFYISJQLTMH-GOSISDBHSA-N 1 2 335.455 3.669 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccc(N(C)C)nc3)nc2c1 ZINC000660550109 1041658689 /nfs/dbraw/zinc/65/86/89/1041658689.db2.gz FTMLFYISJQLTMH-GOSISDBHSA-N 1 2 335.455 3.669 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@H]1C ZINC000651573795 1041706150 /nfs/dbraw/zinc/70/61/50/1041706150.db2.gz IBJGEVHDIIKHDV-GFCCVEGCSA-N 1 2 349.887 3.630 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C[C@H]1C ZINC000651573795 1041706154 /nfs/dbraw/zinc/70/61/54/1041706154.db2.gz IBJGEVHDIIKHDV-GFCCVEGCSA-N 1 2 349.887 3.630 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@H+](Cc1cccs1)C1CC1 ZINC000026638327 1041726875 /nfs/dbraw/zinc/72/68/75/1041726875.db2.gz GTPQGENTLYFQFH-UHFFFAOYSA-N 1 2 334.828 3.932 20 0 EHADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+](Cc1cccs1)C1CC1 ZINC000026638327 1041726880 /nfs/dbraw/zinc/72/68/80/1041726880.db2.gz GTPQGENTLYFQFH-UHFFFAOYSA-N 1 2 334.828 3.932 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)no2)cs1 ZINC000660628326 1041734766 /nfs/dbraw/zinc/73/47/66/1041734766.db2.gz KVLDKBQVBREVRD-ZDUSSCGKSA-N 1 2 326.425 3.573 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCC[C@H](c4ccccn4)C3)no2)cs1 ZINC000660628326 1041734772 /nfs/dbraw/zinc/73/47/72/1041734772.db2.gz KVLDKBQVBREVRD-ZDUSSCGKSA-N 1 2 326.425 3.573 20 0 EHADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000660708648 1041781240 /nfs/dbraw/zinc/78/12/40/1041781240.db2.gz STCWRVNSPFEORM-GFCCVEGCSA-N 1 2 343.862 3.870 20 0 EHADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000660708648 1041781248 /nfs/dbraw/zinc/78/12/48/1041781248.db2.gz STCWRVNSPFEORM-GFCCVEGCSA-N 1 2 343.862 3.870 20 0 EHADLO COC[C@H](CC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000651673831 1041890697 /nfs/dbraw/zinc/89/06/97/1041890697.db2.gz YKIGIUOBJJQCSK-YOEHRIQHSA-N 1 2 333.451 3.689 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1F ZINC000651714012 1041953609 /nfs/dbraw/zinc/95/36/09/1041953609.db2.gz MOXWEUDIRYJFFO-NSHDSACASA-N 1 2 337.366 3.841 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661162467 1041978292 /nfs/dbraw/zinc/97/82/92/1041978292.db2.gz RCBGBAQXTKDSPT-AWEZNQCLSA-N 1 2 340.423 3.689 20 0 EHADLO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651748250 1041996558 /nfs/dbraw/zinc/99/65/58/1041996558.db2.gz DROFVZXHKDQUHI-AWEZNQCLSA-N 1 2 337.826 3.561 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc(C)[nH+]1 ZINC000661329831 1042068148 /nfs/dbraw/zinc/06/81/48/1042068148.db2.gz FHMICRBULKBNKD-IAGOWNOFSA-N 1 2 345.487 3.624 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c1 ZINC000661371240 1042085449 /nfs/dbraw/zinc/08/54/49/1042085449.db2.gz FULVXJJMCBTPOX-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(C)cc3C2)c1 ZINC000661371240 1042085454 /nfs/dbraw/zinc/08/54/54/1042085454.db2.gz FULVXJJMCBTPOX-HNNXBMFYSA-N 1 2 336.435 3.583 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1cscn1 ZINC000661423273 1042113701 /nfs/dbraw/zinc/11/37/01/1042113701.db2.gz LYEWGZKNIHXILY-ZDUSSCGKSA-N 1 2 349.475 3.760 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1cscn1 ZINC000661421667 1042113804 /nfs/dbraw/zinc/11/38/04/1042113804.db2.gz WFYPFSCLVFDZCU-CHWSQXEVSA-N 1 2 343.452 3.760 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000661447235 1042123973 /nfs/dbraw/zinc/12/39/73/1042123973.db2.gz USPXLTAODXWSOJ-LJQANCHMSA-N 1 2 342.414 3.652 20 0 EHADLO O=C(C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000661447235 1042123978 /nfs/dbraw/zinc/12/39/78/1042123978.db2.gz USPXLTAODXWSOJ-LJQANCHMSA-N 1 2 342.414 3.652 20 0 EHADLO CO[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC001126096369 1042169054 /nfs/dbraw/zinc/16/90/54/1042169054.db2.gz CIAQNCHIVJDQIM-OAHLLOKOSA-N 1 2 349.312 3.679 20 0 EHADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661538014 1042177407 /nfs/dbraw/zinc/17/74/07/1042177407.db2.gz XUCKBTXLQJZLJB-ZIAGYGMSSA-N 1 2 343.393 3.574 20 0 EHADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661538014 1042177412 /nfs/dbraw/zinc/17/74/12/1042177412.db2.gz XUCKBTXLQJZLJB-ZIAGYGMSSA-N 1 2 343.393 3.574 20 0 EHADLO COc1cccc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)n1 ZINC000661547551 1042184967 /nfs/dbraw/zinc/18/49/67/1042184967.db2.gz JYAJOYBYKXVHCK-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1cccc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)n1 ZINC000661547551 1042184975 /nfs/dbraw/zinc/18/49/75/1042184975.db2.gz JYAJOYBYKXVHCK-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661639668 1042227016 /nfs/dbraw/zinc/22/70/16/1042227016.db2.gz NVVCEMYVSQTGAF-GFCCVEGCSA-N 1 2 331.268 3.924 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661639668 1042227021 /nfs/dbraw/zinc/22/70/21/1042227021.db2.gz NVVCEMYVSQTGAF-GFCCVEGCSA-N 1 2 331.268 3.924 20 0 EHADLO CCn1nc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000473138931 1042273419 /nfs/dbraw/zinc/27/34/19/1042273419.db2.gz GSFXYKSGKLLKEN-UHFFFAOYSA-N 1 2 338.430 3.518 20 0 EHADLO CCc1cc(OC)ccc1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000500435574 1042289224 /nfs/dbraw/zinc/28/92/24/1042289224.db2.gz WUCLVISOKHHUEI-UHFFFAOYSA-N 1 2 332.444 3.851 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000151993560 1042375705 /nfs/dbraw/zinc/37/57/05/1042375705.db2.gz IAOJGXZOQFWSGF-INIZCTEOSA-N 1 2 343.430 3.655 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000661878532 1042383918 /nfs/dbraw/zinc/38/39/18/1042383918.db2.gz NWRMZJXDXBOYQV-VXGBXAGGSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000661878532 1042383925 /nfs/dbraw/zinc/38/39/25/1042383925.db2.gz NWRMZJXDXBOYQV-VXGBXAGGSA-N 1 2 334.407 3.943 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cccc2c1OCCC2 ZINC000343884581 1042427925 /nfs/dbraw/zinc/42/79/25/1042427925.db2.gz SFRZNEDBTACOAY-UHFFFAOYSA-N 1 2 348.406 3.519 20 0 EHADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432256799 1042438535 /nfs/dbraw/zinc/43/85/35/1042438535.db2.gz UNUNMTWOSYHOHD-UHFFFAOYSA-N 1 2 346.233 3.727 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccccc1F ZINC000661975744 1042440164 /nfs/dbraw/zinc/44/01/64/1042440164.db2.gz SHYHKJVFIATPPW-KBPBESRZSA-N 1 2 345.443 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccccc1F ZINC000661975744 1042440166 /nfs/dbraw/zinc/44/01/66/1042440166.db2.gz SHYHKJVFIATPPW-KBPBESRZSA-N 1 2 345.443 3.809 20 0 EHADLO O=c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000661977411 1042442609 /nfs/dbraw/zinc/44/26/09/1042442609.db2.gz XFKXQMJWIZNIRP-ZIAGYGMSSA-N 1 2 337.448 3.906 20 0 EHADLO O=c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000661977411 1042442610 /nfs/dbraw/zinc/44/26/10/1042442610.db2.gz XFKXQMJWIZNIRP-ZIAGYGMSSA-N 1 2 337.448 3.906 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000661984977 1042443192 /nfs/dbraw/zinc/44/31/92/1042443192.db2.gz DFIGTCLAVRFWEA-AEFFLSMTSA-N 1 2 344.503 3.543 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662049652 1042481872 /nfs/dbraw/zinc/48/18/72/1042481872.db2.gz BBWWNKQBSSWGNL-CQSZACIVSA-N 1 2 329.227 3.675 20 0 EHADLO COc1ccc(OC)c(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000221562862 1042497408 /nfs/dbraw/zinc/49/74/08/1042497408.db2.gz QPCVEPFIYPEPAS-TWGQIWQCSA-N 1 2 326.396 3.676 20 0 EHADLO CO[C@H](C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000248446760 1042525282 /nfs/dbraw/zinc/52/52/82/1042525282.db2.gz WWCAQPYAUCZWDZ-ABAIWWIYSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@H](C)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000248446760 1042525285 /nfs/dbraw/zinc/52/52/85/1042525285.db2.gz WWCAQPYAUCZWDZ-ABAIWWIYSA-N 1 2 345.270 3.821 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662213161 1042609979 /nfs/dbraw/zinc/60/99/79/1042609979.db2.gz VCJZRDBGNHOQAL-UHFFFAOYSA-N 1 2 339.439 3.808 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161610886 1042673322 /nfs/dbraw/zinc/67/33/22/1042673322.db2.gz HYYWTNMSEQIRKF-AEFFLSMTSA-N 1 2 325.456 3.658 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310719 1042679451 /nfs/dbraw/zinc/67/94/51/1042679451.db2.gz MPLYPUTXEIVLBM-KDURUIRLSA-N 1 2 331.460 3.510 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310719 1042679452 /nfs/dbraw/zinc/67/94/52/1042679452.db2.gz MPLYPUTXEIVLBM-KDURUIRLSA-N 1 2 331.460 3.510 20 0 EHADLO O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161748176 1042683670 /nfs/dbraw/zinc/68/36/70/1042683670.db2.gz QJRHCQZWGNFNLJ-MAUKXSAKSA-N 1 2 343.858 3.757 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)[nH+]cn2)CC1 ZINC000663359401 1042754549 /nfs/dbraw/zinc/75/45/49/1042754549.db2.gz GPEGDVZUXABYFC-BRWVUGGUSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)nc[nH+]2)CC1 ZINC000663359401 1042754552 /nfs/dbraw/zinc/75/45/52/1042754552.db2.gz GPEGDVZUXABYFC-BRWVUGGUSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(C)CC[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000278867076 1042762656 /nfs/dbraw/zinc/76/26/56/1042762656.db2.gz UXOWPNBYGGFFJG-QGZVFWFLSA-N 1 2 339.439 3.783 20 0 EHADLO c1cn(C2CCN(c3cc4c(nn3)-c3ccccc3CCC4)CC2)c[nH+]1 ZINC000631085169 1042885904 /nfs/dbraw/zinc/88/59/04/1042885904.db2.gz CAGNBVSZZMSRQV-UHFFFAOYSA-N 1 2 345.450 3.670 20 0 EHADLO COc1cccc(CCC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000303852662 1042945692 /nfs/dbraw/zinc/94/56/92/1042945692.db2.gz DXYYTMTVZGXZPQ-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO COc1cccc(CCC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000303852662 1042945702 /nfs/dbraw/zinc/94/57/02/1042945702.db2.gz DXYYTMTVZGXZPQ-FQEVSTJZSA-N 1 2 347.405 3.980 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C(F)(F)F)cn2)o1 ZINC000278921135 1042952262 /nfs/dbraw/zinc/95/22/62/1042952262.db2.gz WQAPMXCDDLPPGY-AWEZNQCLSA-N 1 2 328.334 3.733 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278931292 1042983595 /nfs/dbraw/zinc/98/35/95/1042983595.db2.gz BEYMHHMFZUNNJD-GFCCVEGCSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1cc(N2CCCN(c3ccccc3F)CC2)nc(C2CC2)[nH+]1 ZINC000343979438 1043024253 /nfs/dbraw/zinc/02/42/53/1043024253.db2.gz KHRYFHPQQLPOGL-UHFFFAOYSA-N 1 2 326.419 3.518 20 0 EHADLO O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054087055 1043036586 /nfs/dbraw/zinc/03/65/86/1043036586.db2.gz FSTATIUOCDFZAX-UHFFFAOYSA-N 1 2 332.407 3.725 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000278958703 1043087531 /nfs/dbraw/zinc/08/75/31/1043087531.db2.gz NCBIKKAHEWNARY-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO O=C(c1ccccc1Cl)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278962274 1043091254 /nfs/dbraw/zinc/09/12/54/1043091254.db2.gz NPOFPKIGGHWAEC-UHFFFAOYSA-N 1 2 343.858 3.893 20 0 EHADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344012411 1043100602 /nfs/dbraw/zinc/10/06/02/1043100602.db2.gz BXGFYDHTUIMOQV-NSHDSACASA-N 1 2 341.282 3.840 20 0 EHADLO C[C@@H](C(=O)N(C)C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344024483 1043117356 /nfs/dbraw/zinc/11/73/56/1043117356.db2.gz IONFBQCCAOWRHC-NSHDSACASA-N 1 2 329.271 3.650 20 0 EHADLO C[C@H](C1CCCCC1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000512079413 1043151631 /nfs/dbraw/zinc/15/16/31/1043151631.db2.gz YQGLAPYOYOODCX-MRXNPFEDSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000348554402 1043182577 /nfs/dbraw/zinc/18/25/77/1043182577.db2.gz RMKKVSKLXSZXAM-GOSISDBHSA-N 1 2 345.512 3.787 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000348554402 1043182584 /nfs/dbraw/zinc/18/25/84/1043182584.db2.gz RMKKVSKLXSZXAM-GOSISDBHSA-N 1 2 345.512 3.787 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000344087278 1043232831 /nfs/dbraw/zinc/23/28/31/1043232831.db2.gz IDTSGGGWXQGBLX-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO Cc1coc(-c2cccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)c2)n1 ZINC000344087278 1043232838 /nfs/dbraw/zinc/23/28/38/1043232838.db2.gz IDTSGGGWXQGBLX-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000344113452 1043269294 /nfs/dbraw/zinc/26/92/94/1043269294.db2.gz BQNBZMDWVTUPFA-FQEVSTJZSA-N 1 2 338.451 3.825 20 0 EHADLO CC(C)OCc1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000344113452 1043269298 /nfs/dbraw/zinc/26/92/98/1043269298.db2.gz BQNBZMDWVTUPFA-FQEVSTJZSA-N 1 2 338.451 3.825 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)cc1 ZINC000279096648 1043345161 /nfs/dbraw/zinc/34/51/61/1043345161.db2.gz UXLIAHGRAXYLDH-WMZOPIPTSA-N 1 2 346.434 3.594 20 0 EHADLO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000344187014 1043389435 /nfs/dbraw/zinc/38/94/35/1043389435.db2.gz ZMBRIFROXYSQKT-OXJNMPFZSA-N 1 2 348.450 3.884 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000344191074 1043397431 /nfs/dbraw/zinc/39/74/31/1043397431.db2.gz HLRPARIPLXVOBZ-UHFFFAOYSA-N 1 2 346.843 3.682 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001143530283 1043709547 /nfs/dbraw/zinc/70/95/47/1043709547.db2.gz PRLPEIGUEUIHGE-QRTARXTBSA-N 1 2 349.446 3.777 20 0 EHADLO COc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001143530283 1043709556 /nfs/dbraw/zinc/70/95/56/1043709556.db2.gz PRLPEIGUEUIHGE-QRTARXTBSA-N 1 2 349.446 3.777 20 0 EHADLO Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1-c1ccccc1 ZINC000162748155 1043775683 /nfs/dbraw/zinc/77/56/83/1043775683.db2.gz PKAKXDLIMYKHJX-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO Cc1c(N[C@@H]2CCOC(C)(C)C2)nc[nH+]c1N[C@@H]1CCOC(C)(C)C1 ZINC000663744447 1043904395 /nfs/dbraw/zinc/90/43/95/1043904395.db2.gz MMEJYDAHXMZTNA-HUUCEWRRSA-N 1 2 348.491 3.524 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Br)cc1C(C)C ZINC000279366819 1044001309 /nfs/dbraw/zinc/00/13/09/1044001309.db2.gz LAJJNFPQEFOTTK-UHFFFAOYSA-N 1 2 336.233 3.785 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccccc3F)n2)c1 ZINC000279432319 1044080184 /nfs/dbraw/zinc/08/01/84/1044080184.db2.gz GRVVODHGVWZYIV-OLZOCXBDSA-N 1 2 325.391 3.726 20 0 EHADLO Cc1cccc(C)c1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279523674 1044179451 /nfs/dbraw/zinc/17/94/51/1044179451.db2.gz LZQVIMRSCMUFFK-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO c1nc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)n(-c2ccccc2)n1 ZINC000279539032 1044197555 /nfs/dbraw/zinc/19/75/55/1044197555.db2.gz PVUILOAYBLYECO-GOSISDBHSA-N 1 2 346.434 3.803 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000344677210 1044263974 /nfs/dbraw/zinc/26/39/74/1044263974.db2.gz USGAPGOEQPURKO-HXUWFJFHSA-N 1 2 331.419 3.988 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2csc(Br)c2)s1 ZINC000344687652 1044275427 /nfs/dbraw/zinc/27/54/27/1044275427.db2.gz UCYAPMUGDGBIPM-UHFFFAOYSA-N 1 2 332.292 3.775 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000279605580 1044296609 /nfs/dbraw/zinc/29/66/09/1044296609.db2.gz YPYJZYBTRROAHR-QAPCUYQASA-N 1 2 343.496 3.860 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000344706625 1044320049 /nfs/dbraw/zinc/32/00/49/1044320049.db2.gz OVNZQBCXCQVQTD-CQSZACIVSA-N 1 2 335.904 3.984 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cs1 ZINC000344715543 1044331819 /nfs/dbraw/zinc/33/18/19/1044331819.db2.gz XYCMZMUDGAFJSR-GFCCVEGCSA-N 1 2 332.469 3.854 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717760 1044464987 /nfs/dbraw/zinc/46/49/87/1044464987.db2.gz MAXXGMAUCPJSMI-RBUKOAKNSA-N 1 2 347.405 3.949 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717760 1044464993 /nfs/dbraw/zinc/46/49/93/1044464993.db2.gz MAXXGMAUCPJSMI-RBUKOAKNSA-N 1 2 347.405 3.949 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)cc1C ZINC000512269336 1044481451 /nfs/dbraw/zinc/48/14/51/1044481451.db2.gz LHBYRMZTYFHDIA-CQSZACIVSA-N 1 2 329.396 3.639 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCOc3ccc(C)cc3C2)cc1C ZINC000512269336 1044481455 /nfs/dbraw/zinc/48/14/55/1044481455.db2.gz LHBYRMZTYFHDIA-CQSZACIVSA-N 1 2 329.396 3.639 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000348576188 1044512781 /nfs/dbraw/zinc/51/27/81/1044512781.db2.gz IZJSKLUBDMYOHE-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000348576188 1044512794 /nfs/dbraw/zinc/51/27/94/1044512794.db2.gz IZJSKLUBDMYOHE-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000337925561 1044553845 /nfs/dbraw/zinc/55/38/45/1044553845.db2.gz LDRXCESMEFKYQV-SFHVURJKSA-N 1 2 344.434 3.766 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000512294910 1044567763 /nfs/dbraw/zinc/56/77/63/1044567763.db2.gz YQKRTDZBLWHVOQ-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000512294910 1044567781 /nfs/dbraw/zinc/56/77/81/1044567781.db2.gz YQKRTDZBLWHVOQ-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC000613999854 1044649629 /nfs/dbraw/zinc/64/96/29/1044649629.db2.gz HZIIDVLEUMVHGF-UHFFFAOYSA-N 1 2 331.504 3.901 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC2CC2)CC1 ZINC000344968931 1044751548 /nfs/dbraw/zinc/75/15/48/1044751548.db2.gz OQHJHQGOJSTWFA-UHFFFAOYSA-N 1 2 326.440 3.947 20 0 EHADLO C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112796779 1044797399 /nfs/dbraw/zinc/79/73/99/1044797399.db2.gz QUNCXWLAHRBSJR-DYVFJYSZSA-N 1 2 331.391 3.545 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000345014376 1044820241 /nfs/dbraw/zinc/82/02/41/1044820241.db2.gz DGNXQEAACIHULL-CQSZACIVSA-N 1 2 333.359 3.597 20 0 EHADLO CCn1cc(C[N@H+](CC(=O)c2cc(C)n(C3CC3)c2C)C(C)C)cn1 ZINC000649812256 1125611257 /nfs/dbraw/zinc/61/12/57/1125611257.db2.gz OBWCZQDYNHUBOV-UHFFFAOYSA-N 1 2 342.487 3.750 20 0 EHADLO CCn1cc(C[N@@H+](CC(=O)c2cc(C)n(C3CC3)c2C)C(C)C)cn1 ZINC000649812256 1125611259 /nfs/dbraw/zinc/61/12/59/1125611259.db2.gz OBWCZQDYNHUBOV-UHFFFAOYSA-N 1 2 342.487 3.750 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000153580923 1125633942 /nfs/dbraw/zinc/63/39/42/1125633942.db2.gz JQRIOGRUGVQDIP-AWEZNQCLSA-N 1 2 348.878 3.539 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000153580923 1125633946 /nfs/dbraw/zinc/63/39/46/1125633946.db2.gz JQRIOGRUGVQDIP-AWEZNQCLSA-N 1 2 348.878 3.539 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H](C2CCCCC2)C1 ZINC000620688707 1125647595 /nfs/dbraw/zinc/64/75/95/1125647595.db2.gz DBIWPDJHKCQZTL-KRWDZBQOSA-N 1 2 338.455 3.700 20 0 EHADLO CC(C)Oc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000671081583 1125702146 /nfs/dbraw/zinc/70/21/46/1125702146.db2.gz FXUGKBDCBKKIDN-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1O ZINC000622468129 1126707083 /nfs/dbraw/zinc/70/70/83/1126707083.db2.gz WLGUTKLTWSWOKS-ZDUSSCGKSA-N 1 2 344.842 3.739 20 0 EHADLO Cc1cc(Cl)cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1O ZINC000622468129 1126707085 /nfs/dbraw/zinc/70/70/85/1126707085.db2.gz WLGUTKLTWSWOKS-ZDUSSCGKSA-N 1 2 344.842 3.739 20 0 EHADLO CN(C(=O)CCc1[nH]cc[nH+]1)c1ccc(OCc2ccccc2)cc1 ZINC000622541792 1126717965 /nfs/dbraw/zinc/71/79/65/1126717965.db2.gz GCSUAASQNCPKIX-UHFFFAOYSA-N 1 2 335.407 3.584 20 0 EHADLO Cc1sc(C(=O)NCCc2cn(C)c[nH+]2)cc1-c1ccc(F)cc1 ZINC000622685677 1126742679 /nfs/dbraw/zinc/74/26/79/1126742679.db2.gz FDTAJXKHGAKCRD-UHFFFAOYSA-N 1 2 343.427 3.569 20 0 EHADLO CCOCCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185071368 1126749354 /nfs/dbraw/zinc/74/93/54/1126749354.db2.gz OHRIRXOQUROQOY-JTQLQIEISA-N 1 2 334.229 3.761 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)c2ccc(C)cc2)c1C ZINC000171293552 1126760285 /nfs/dbraw/zinc/76/02/85/1126760285.db2.gz WWYLMMWATZMHGN-UHFFFAOYSA-N 1 2 340.467 3.952 20 0 EHADLO Cc1ccc(SCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000172038655 1126776996 /nfs/dbraw/zinc/77/69/96/1126776996.db2.gz VEPWJBJYWOZEQP-UHFFFAOYSA-N 1 2 337.448 3.703 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000172177883 1126783702 /nfs/dbraw/zinc/78/37/02/1126783702.db2.gz MIBAFJNTDUYTIB-IBGZPJMESA-N 1 2 342.414 3.616 20 0 EHADLO Cc1nccc([C@H]2CCC[N@@H+]([C@@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240291 1126816357 /nfs/dbraw/zinc/81/63/57/1126816357.db2.gz YCCUXHPFWLOUCH-YOEHRIQHSA-N 1 2 349.438 3.776 20 0 EHADLO Cc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3noc(-c4ccccc4)n3)C2)n1 ZINC000671240291 1126816361 /nfs/dbraw/zinc/81/63/61/1126816361.db2.gz YCCUXHPFWLOUCH-YOEHRIQHSA-N 1 2 349.438 3.776 20 0 EHADLO OCC[C@H]1CCCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000671247318 1126818300 /nfs/dbraw/zinc/81/83/00/1126818300.db2.gz NVSOAIAFVNWVOO-LLVKDONJSA-N 1 2 348.231 3.854 20 0 EHADLO OCC[C@H]1CCCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000671247318 1126818303 /nfs/dbraw/zinc/81/83/03/1126818303.db2.gz NVSOAIAFVNWVOO-LLVKDONJSA-N 1 2 348.231 3.854 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000447829844 1126819399 /nfs/dbraw/zinc/81/93/99/1126819399.db2.gz HKMLCZSONHAILV-SQNIBIBYSA-N 1 2 346.519 3.914 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000173220328 1126827018 /nfs/dbraw/zinc/82/70/18/1126827018.db2.gz GZTSAGWIPJJRQO-DTWKUNHWSA-N 1 2 337.411 3.506 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173217831 1126826735 /nfs/dbraw/zinc/82/67/35/1126826735.db2.gz BJRCZUOIWQMHNH-GUBZILKMSA-N 1 2 337.411 3.506 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000072709965 1126864306 /nfs/dbraw/zinc/86/43/06/1126864306.db2.gz GBCZQYJTRDFSMK-UHFFFAOYSA-N 1 2 340.814 3.849 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000623121042 1126880517 /nfs/dbraw/zinc/88/05/17/1126880517.db2.gz ODUVSXHSMCEUNR-KRWDZBQOSA-N 1 2 342.405 3.837 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000623121042 1126880520 /nfs/dbraw/zinc/88/05/20/1126880520.db2.gz ODUVSXHSMCEUNR-KRWDZBQOSA-N 1 2 342.405 3.837 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ncccc1-c1ccccn1 ZINC001125084384 1126900079 /nfs/dbraw/zinc/90/00/79/1126900079.db2.gz VNTBDNARTRHBKF-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CN(C)C2=O)c2ccsc2S1 ZINC000623234004 1126900563 /nfs/dbraw/zinc/90/05/63/1126900563.db2.gz ULBBVBQINRGBDS-KNXALSJPSA-N 1 2 344.505 3.976 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000623253181 1126905725 /nfs/dbraw/zinc/90/57/25/1126905725.db2.gz BZMTXWNGJOYSRU-LLVKDONJSA-N 1 2 326.227 3.848 20 0 EHADLO CC(C)c1ccc(C2(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)CCCC2)cc1 ZINC000623266566 1126905831 /nfs/dbraw/zinc/90/58/31/1126905831.db2.gz BGNFQVDQGCOKHH-GOSISDBHSA-N 1 2 337.467 3.559 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623308045 1126912187 /nfs/dbraw/zinc/91/21/87/1126912187.db2.gz UBOILPPXTQWJMF-HNNXBMFYSA-N 1 2 339.464 3.552 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@H]3CCn4c[nH+]cc4C3)CCCCC2)c1 ZINC000623309246 1126915346 /nfs/dbraw/zinc/91/53/46/1126915346.db2.gz UHVWLXXWEAIRDH-SFHVURJKSA-N 1 2 337.467 3.525 20 0 EHADLO CCCc1ccc([C@H](NC(=O)CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000192520522 1126916936 /nfs/dbraw/zinc/91/69/36/1126916936.db2.gz QURSYYYPORWTOQ-HXUWFJFHSA-N 1 2 327.472 3.819 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000072918392 1126934352 /nfs/dbraw/zinc/93/43/52/1126934352.db2.gz ZINUXUQJVUMRGZ-ZIAGYGMSSA-N 1 2 332.473 3.938 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000072918392 1126934357 /nfs/dbraw/zinc/93/43/57/1126934357.db2.gz ZINUXUQJVUMRGZ-ZIAGYGMSSA-N 1 2 332.473 3.938 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nn1)C(C)C ZINC000623420514 1126950947 /nfs/dbraw/zinc/95/09/47/1126950947.db2.gz DZLNGMCOXNUHGM-GOSISDBHSA-N 1 2 339.418 3.597 20 0 EHADLO Fc1cccnc1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623470156 1126962140 /nfs/dbraw/zinc/96/21/40/1126962140.db2.gz AZKBNYDUZNNRNG-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000185782903 1127010687 /nfs/dbraw/zinc/01/06/87/1127010687.db2.gz QQQSXVZNCNIZCF-UWVGGRQHSA-N 1 2 346.240 3.760 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000179279506 1127054358 /nfs/dbraw/zinc/05/43/58/1127054358.db2.gz RGFAOVJECWBFQH-SFHVURJKSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000179430889 1127064035 /nfs/dbraw/zinc/06/40/35/1127064035.db2.gz FTEUTPBHRPYAJT-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000179430889 1127064036 /nfs/dbraw/zinc/06/40/36/1127064036.db2.gz FTEUTPBHRPYAJT-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350189787 1127066096 /nfs/dbraw/zinc/06/60/96/1127066096.db2.gz LZTYMSDUSBCLSP-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350189787 1127066100 /nfs/dbraw/zinc/06/61/00/1127066100.db2.gz LZTYMSDUSBCLSP-XJKSGUPXSA-N 1 2 339.395 3.717 20 0 EHADLO Fc1ccc(-n2ccc(C[NH2+]C3(c4cccc(F)c4)CC3)n2)cc1 ZINC000179690997 1127081234 /nfs/dbraw/zinc/08/12/34/1127081234.db2.gz RTFYHEJLZYAKNH-UHFFFAOYSA-N 1 2 325.362 3.929 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1)Cn1cc[nH+]c1 ZINC000153445751 1127082182 /nfs/dbraw/zinc/08/21/82/1127082182.db2.gz NGJOJMUOLYTOEP-MRXNPFEDSA-N 1 2 335.407 3.742 20 0 EHADLO COCCc1noc(C[NH2+][C@H](CC(C)C)c2ccc(Cl)cc2)n1 ZINC000179719216 1127083567 /nfs/dbraw/zinc/08/35/67/1127083567.db2.gz RBYRUBJPZKIQHM-OAHLLOKOSA-N 1 2 337.851 3.789 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000179924333 1127100880 /nfs/dbraw/zinc/10/08/80/1127100880.db2.gz SGRRUNMUYZQADE-INIZCTEOSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1cccc2[nH+]ccn21 ZINC000180229531 1127134727 /nfs/dbraw/zinc/13/47/27/1127134727.db2.gz MIYZXNPFHVFHJL-RDTXWAMCSA-N 1 2 341.842 3.950 20 0 EHADLO Cc1noc(C)c1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000351178202 1127150993 /nfs/dbraw/zinc/15/09/93/1127150993.db2.gz WTGKTYRAZHEPFB-OAHLLOKOSA-N 1 2 342.374 3.818 20 0 EHADLO Cc1noc(C)c1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000351178202 1127150996 /nfs/dbraw/zinc/15/09/96/1127150996.db2.gz WTGKTYRAZHEPFB-OAHLLOKOSA-N 1 2 342.374 3.818 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2csc(C3CCCCC3)n2)n1 ZINC000351258753 1127164834 /nfs/dbraw/zinc/16/48/34/1127164834.db2.gz CWZFIPFXCRZPJA-UHFFFAOYSA-N 1 2 329.429 3.565 20 0 EHADLO CC(C)OCc1ccccc1-c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351398987 1127176684 /nfs/dbraw/zinc/17/66/84/1127176684.db2.gz AJZXTDOUVMTYDZ-AWEZNQCLSA-N 1 2 326.400 3.662 20 0 EHADLO CCOc1ccc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cc1Cl ZINC000351455819 1127179051 /nfs/dbraw/zinc/17/90/51/1127179051.db2.gz HTDVXPZIZONHLE-LLVKDONJSA-N 1 2 332.791 3.789 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000180709286 1127182475 /nfs/dbraw/zinc/18/24/75/1127182475.db2.gz YQCGOPUKVBKOSR-UHFFFAOYSA-N 1 2 334.876 3.897 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000180709286 1127182477 /nfs/dbraw/zinc/18/24/77/1127182477.db2.gz YQCGOPUKVBKOSR-UHFFFAOYSA-N 1 2 334.876 3.897 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2cccs2)n1 ZINC000181335904 1127274056 /nfs/dbraw/zinc/27/40/56/1127274056.db2.gz HGOZTHVLNQRAOP-DZGCQCFKSA-N 1 2 343.452 3.912 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000181744652 1127293915 /nfs/dbraw/zinc/29/39/15/1127293915.db2.gz GRDFVPUKOSGURQ-NSHDSACASA-N 1 2 348.805 3.971 20 0 EHADLO c1cc2c(o1)CCCN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)C2 ZINC000624229806 1127327499 /nfs/dbraw/zinc/32/74/99/1127327499.db2.gz DJAVESSYCJDGFL-UHFFFAOYSA-N 1 2 332.407 3.543 20 0 EHADLO CCC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC)cc1 ZINC000182881502 1127352354 /nfs/dbraw/zinc/35/23/54/1127352354.db2.gz ZQGGOXUASPJYCN-IBGZPJMESA-N 1 2 341.455 3.880 20 0 EHADLO COc1ccc([C@H](C)[C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182883027 1127352596 /nfs/dbraw/zinc/35/25/96/1127352596.db2.gz DZLMONGMCCHOEA-CVEARBPZSA-N 1 2 341.455 3.531 20 0 EHADLO C[C@H]1CC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](C)C1 ZINC000580770133 1127353889 /nfs/dbraw/zinc/35/38/89/1127353889.db2.gz SFSDNTSJKPVGFK-RKVPGOIHSA-N 1 2 325.456 3.873 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnn(CC(C)C)c1 ZINC000182965273 1127356487 /nfs/dbraw/zinc/35/64/87/1127356487.db2.gz DZKHXVBIXJBEEH-UHFFFAOYSA-N 1 2 342.487 3.698 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnn(CC(C)C)c1 ZINC000182965273 1127356491 /nfs/dbraw/zinc/35/64/91/1127356491.db2.gz DZKHXVBIXJBEEH-UHFFFAOYSA-N 1 2 342.487 3.698 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000183076782 1127361698 /nfs/dbraw/zinc/36/16/98/1127361698.db2.gz ZTJWLUIDLGAHRH-NPMXOYFQSA-N 1 2 346.477 3.613 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)CCC2 ZINC000654423230 1127389373 /nfs/dbraw/zinc/38/93/73/1127389373.db2.gz HSVKCJUDFHJIFP-INIZCTEOSA-N 1 2 335.407 3.939 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1nc(CCc2ccccc2)no1)c1nccs1 ZINC000184016761 1127392266 /nfs/dbraw/zinc/39/22/66/1127392266.db2.gz FVTWPFXSIPUGNY-AWEZNQCLSA-N 1 2 342.468 3.547 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1nc(CCc2ccccc2)no1)c1nccs1 ZINC000184016761 1127392270 /nfs/dbraw/zinc/39/22/70/1127392270.db2.gz FVTWPFXSIPUGNY-AWEZNQCLSA-N 1 2 342.468 3.547 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000184248358 1127399603 /nfs/dbraw/zinc/39/96/03/1127399603.db2.gz XMBQOPKGIYRXGQ-DYVFJYSZSA-N 1 2 349.475 3.755 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000184813333 1127413847 /nfs/dbraw/zinc/41/38/47/1127413847.db2.gz ZRNQBYWBRFQUSD-CRAIPNDOSA-N 1 2 348.487 3.514 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000184977631 1127417258 /nfs/dbraw/zinc/41/72/58/1127417258.db2.gz KHCPVGWDWISERO-ZFWWWQNUSA-N 1 2 343.452 3.912 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185040699 1127418713 /nfs/dbraw/zinc/41/87/13/1127418713.db2.gz UUWBYTPYOGPUTC-DOTOQJQBSA-N 1 2 331.485 3.697 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1nccs1 ZINC000185074695 1127419957 /nfs/dbraw/zinc/41/99/57/1127419957.db2.gz ACZCVXCEABBDME-NSHDSACASA-N 1 2 343.374 3.841 20 0 EHADLO C[C@H]1CCN(C(=O)NCCC2=CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000185268887 1127423538 /nfs/dbraw/zinc/42/35/38/1127423538.db2.gz UVHHVPBFQACNTJ-FUHWJXTLSA-N 1 2 330.476 3.756 20 0 EHADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000185693908 1127430139 /nfs/dbraw/zinc/43/01/39/1127430139.db2.gz HTXMDSNAVZUUFA-UHFFFAOYSA-N 1 2 343.374 3.564 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000185695018 1127430414 /nfs/dbraw/zinc/43/04/14/1127430414.db2.gz OSLNHSOVOAICKU-UHFFFAOYSA-N 1 2 345.802 3.612 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc2c1OCO2 ZINC000194030821 1127450771 /nfs/dbraw/zinc/45/07/71/1127450771.db2.gz SMMHHILQYUXYDL-UHFFFAOYSA-N 1 2 340.423 3.574 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc2c1OCO2 ZINC000194030821 1127450772 /nfs/dbraw/zinc/45/07/72/1127450772.db2.gz SMMHHILQYUXYDL-UHFFFAOYSA-N 1 2 340.423 3.574 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(F)cc(Cl)c2)c1C ZINC000764207895 1127463403 /nfs/dbraw/zinc/46/34/03/1127463403.db2.gz MLXIBTLTMWXGMA-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO Cc1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)c(N(C)C)[nH+]1 ZINC000749983056 1127536185 /nfs/dbraw/zinc/53/61/85/1127536185.db2.gz HRAWJEVWBDJRJG-UHFFFAOYSA-N 1 2 349.381 3.629 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749983921 1127547282 /nfs/dbraw/zinc/54/72/82/1127547282.db2.gz RROJETDPQRNGDU-UHFFFAOYSA-N 1 2 336.395 3.672 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765036535 1127566012 /nfs/dbraw/zinc/56/60/12/1127566012.db2.gz HTLMRURQCWJYSG-GOSISDBHSA-N 1 2 341.499 3.954 20 0 EHADLO Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)c(N(C)C)[nH+]1 ZINC000749987275 1127568225 /nfs/dbraw/zinc/56/82/25/1127568225.db2.gz OBXIWNHUBOLNPT-UHFFFAOYSA-N 1 2 327.359 3.523 20 0 EHADLO Clc1ccc2ccc(Nc3ccc[nH+]c3N3CCOCC3)nc2c1 ZINC001212349545 1127593935 /nfs/dbraw/zinc/59/39/35/1127593935.db2.gz BKOOBXQRPKTBRD-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCCCCCOCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765312994 1127595417 /nfs/dbraw/zinc/59/54/17/1127595417.db2.gz ADDGSFAZTBYXKL-MRXNPFEDSA-N 1 2 338.517 3.550 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000921519014 1127622180 /nfs/dbraw/zinc/62/21/80/1127622180.db2.gz NAEJHYBOYVLGNQ-HNNXBMFYSA-N 1 2 337.345 3.643 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000011200604 1127636812 /nfs/dbraw/zinc/63/68/12/1127636812.db2.gz NZQVYCWGWXCTKC-OAQYLSRUSA-N 1 2 340.467 3.641 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000011200604 1127636815 /nfs/dbraw/zinc/63/68/15/1127636815.db2.gz NZQVYCWGWXCTKC-OAQYLSRUSA-N 1 2 340.467 3.641 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452375 1127654398 /nfs/dbraw/zinc/65/43/98/1127654398.db2.gz OYWJVLSNMHKPLH-CQSZACIVSA-N 1 2 331.485 3.738 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452375 1127654399 /nfs/dbraw/zinc/65/43/99/1127654399.db2.gz OYWJVLSNMHKPLH-CQSZACIVSA-N 1 2 331.485 3.738 20 0 EHADLO CCCCNC(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921528180 1127671489 /nfs/dbraw/zinc/67/14/89/1127671489.db2.gz DSCLVDDHEPQOCJ-UHFFFAOYSA-N 1 2 343.471 3.792 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)cn1 ZINC001168553677 1127749403 /nfs/dbraw/zinc/74/94/03/1127749403.db2.gz VZCCCWOLOBDEKJ-SNVBAGLBSA-N 1 2 327.762 3.891 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000026475465 1127771841 /nfs/dbraw/zinc/77/18/41/1127771841.db2.gz FLKJWWRHRABRAB-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000026475465 1127771845 /nfs/dbraw/zinc/77/18/45/1127771845.db2.gz FLKJWWRHRABRAB-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3occ4c3CCC4)n2)CC1 ZINC000671665631 1127785995 /nfs/dbraw/zinc/78/59/95/1127785995.db2.gz LTWCBUXOBLMMBL-UHFFFAOYSA-N 1 2 345.468 3.709 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000624288989 1127786458 /nfs/dbraw/zinc/78/64/58/1127786458.db2.gz BSIBREUNISDOAV-ONERCXAPSA-N 1 2 340.254 3.909 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](C)[C@@H](C)c3cccs3)o2)cc1 ZINC000029594616 1127803526 /nfs/dbraw/zinc/80/35/26/1127803526.db2.gz RJRXDYHCVQXHOO-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](C)[C@@H](C)c3cccs3)o2)cc1 ZINC000029594616 1127803528 /nfs/dbraw/zinc/80/35/28/1127803528.db2.gz RJRXDYHCVQXHOO-LBPRGKRZSA-N 1 2 329.425 4.000 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC(F)F ZINC000029911270 1127811327 /nfs/dbraw/zinc/81/13/27/1127811327.db2.gz SEMHDPSPHMGTKA-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO COc1ccc2c(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)coc2c1 ZINC000029950929 1127811795 /nfs/dbraw/zinc/81/17/95/1127811795.db2.gz VNCVQRISRKLVTK-UHFFFAOYSA-N 1 2 347.374 3.808 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030570198 1127821868 /nfs/dbraw/zinc/82/18/68/1127821868.db2.gz ILBOTSCEMBZHKU-FQEVSTJZSA-N 1 2 347.418 3.858 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CCC(F)(F)F ZINC000104677484 1127891524 /nfs/dbraw/zinc/89/15/24/1127891524.db2.gz ZLGYCTBZFYHMSU-OLZOCXBDSA-N 1 2 328.378 3.627 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CCC(F)(F)F ZINC000104677484 1127891529 /nfs/dbraw/zinc/89/15/29/1127891529.db2.gz ZLGYCTBZFYHMSU-OLZOCXBDSA-N 1 2 328.378 3.627 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)CCC(C)C)cn2c1 ZINC000042389065 1127891864 /nfs/dbraw/zinc/89/18/64/1127891864.db2.gz MJPHNRMYHZSJNT-OAHLLOKOSA-N 1 2 333.501 3.817 20 0 EHADLO Cc1cccc(COc2cccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)c1 ZINC000042533620 1127893040 /nfs/dbraw/zinc/89/30/40/1127893040.db2.gz PZLNNXKKABLKPZ-KRWDZBQOSA-N 1 2 349.434 3.589 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)CCC(C)C)cn2c1 ZINC000042389063 1127891246 /nfs/dbraw/zinc/89/12/46/1127891246.db2.gz MJPHNRMYHZSJNT-HNNXBMFYSA-N 1 2 333.501 3.817 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)C(C)C ZINC000172349967 1127907683 /nfs/dbraw/zinc/90/76/83/1127907683.db2.gz XAJVHYUYGTWYGB-HNNXBMFYSA-N 1 2 328.441 3.988 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nc(-c2cccs2)no1)C(C)C ZINC000172349966 1127908093 /nfs/dbraw/zinc/90/80/93/1127908093.db2.gz XAJVHYUYGTWYGB-OAHLLOKOSA-N 1 2 328.441 3.988 20 0 EHADLO CCCc1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000043312097 1127917650 /nfs/dbraw/zinc/91/76/50/1127917650.db2.gz VVVDUORTBSKAIR-GOSISDBHSA-N 1 2 328.460 3.532 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1C(F)(F)F ZINC000043647413 1127923999 /nfs/dbraw/zinc/92/39/99/1127923999.db2.gz VFQNQIDYPJYUOO-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1C(F)(F)F ZINC000043647413 1127924002 /nfs/dbraw/zinc/92/40/02/1127924002.db2.gz VFQNQIDYPJYUOO-UHFFFAOYSA-N 1 2 337.301 3.980 20 0 EHADLO CC(C)c1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(C(C)C)c1 ZINC000044246912 1127932846 /nfs/dbraw/zinc/93/28/46/1127932846.db2.gz QGTZLHBSYVSFFL-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO O=C(Nc1ccc2ccccc2n1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044907233 1127943786 /nfs/dbraw/zinc/94/37/86/1127943786.db2.gz GQOAHJFXHHIPGP-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO CCc1nc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)sc1C ZINC000045813650 1127960653 /nfs/dbraw/zinc/96/06/53/1127960653.db2.gz IKSYUNJDGWEGOF-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C(F)F)cc1 ZINC000338641428 1127961749 /nfs/dbraw/zinc/96/17/49/1127961749.db2.gz YPTBTJZPWTVFFY-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]1c1ccccc1 ZINC000046019471 1127966540 /nfs/dbraw/zinc/96/65/40/1127966540.db2.gz MABOXWATPOYSEQ-HXUWFJFHSA-N 1 2 346.434 3.588 20 0 EHADLO CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000047184948 1128002246 /nfs/dbraw/zinc/00/22/46/1128002246.db2.gz VTRPDIUTUNXOLR-UHFFFAOYSA-N 1 2 348.406 3.782 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047239819 1128003779 /nfs/dbraw/zinc/00/37/79/1128003779.db2.gz PORQJFXHHZLWGL-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO c1ccc(-c2cccc(Nc3ccc[nH+]c3N3CCOCC3)c2)nc1 ZINC001212362897 1128004922 /nfs/dbraw/zinc/00/49/22/1128004922.db2.gz UHMAPTWTUKGLID-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047298384 1128005099 /nfs/dbraw/zinc/00/50/99/1128005099.db2.gz YYFHSVLCKVNHRM-UHFFFAOYSA-N 1 2 339.826 3.857 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC(C)(C)O1 ZINC000347496249 1128012303 /nfs/dbraw/zinc/01/23/03/1128012303.db2.gz DKJCFORGOGYOGL-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC(C)(C)O1 ZINC000347496249 1128012305 /nfs/dbraw/zinc/01/23/05/1128012305.db2.gz DKJCFORGOGYOGL-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO CCCSCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407622 1128018785 /nfs/dbraw/zinc/01/87/85/1128018785.db2.gz NTLBZFFROCMXKB-UHFFFAOYSA-N 1 2 340.920 3.518 20 0 EHADLO CCCSCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407622 1128018788 /nfs/dbraw/zinc/01/87/88/1128018788.db2.gz NTLBZFFROCMXKB-UHFFFAOYSA-N 1 2 340.920 3.518 20 0 EHADLO CCc1ccc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056894314 1128031587 /nfs/dbraw/zinc/03/15/87/1128031587.db2.gz BHSGEQMXMMXSQE-UHFFFAOYSA-N 1 2 348.450 3.776 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC000058578517 1128073329 /nfs/dbraw/zinc/07/33/29/1128073329.db2.gz VJGWUVKPKCHGBG-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC000058578517 1128073334 /nfs/dbraw/zinc/07/33/34/1128073334.db2.gz VJGWUVKPKCHGBG-UHFFFAOYSA-N 1 2 336.426 3.579 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)ccn1 ZINC000347554784 1128079297 /nfs/dbraw/zinc/07/92/97/1128079297.db2.gz JRUOAPZBMDRLPA-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000058794869 1128081083 /nfs/dbraw/zinc/08/10/83/1128081083.db2.gz FPNYSUUZTODMEE-ZFWWWQNUSA-N 1 2 345.512 3.914 20 0 EHADLO O=C(c1coc2ccccc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282214192 1128087865 /nfs/dbraw/zinc/08/78/65/1128087865.db2.gz GVHSDIOJJQYHBU-OAHLLOKOSA-N 1 2 349.434 3.985 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000734477093 1131241900 /nfs/dbraw/zinc/24/19/00/1131241900.db2.gz KNBMERGBIPYRQS-WMZOPIPTSA-N 1 2 348.446 3.668 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000734477093 1131241908 /nfs/dbraw/zinc/24/19/08/1131241908.db2.gz KNBMERGBIPYRQS-WMZOPIPTSA-N 1 2 348.446 3.668 20 0 EHADLO O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282220169 1128100234 /nfs/dbraw/zinc/10/02/34/1128100234.db2.gz HEZSOEIRGXABNQ-CYBMUJFWSA-N 1 2 345.393 3.517 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060616119 1128110353 /nfs/dbraw/zinc/11/03/53/1128110353.db2.gz HQAJXMPENRQPMB-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO C[N@H+](Cc1ccccc1)Cc1cc2c(cc1Br)OCCO2 ZINC000061745449 1128128092 /nfs/dbraw/zinc/12/80/92/1128128092.db2.gz PNJBRNMBTQLMEU-UHFFFAOYSA-N 1 2 348.240 3.852 20 0 EHADLO C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1Br)OCCO2 ZINC000061745449 1128128094 /nfs/dbraw/zinc/12/80/94/1128128094.db2.gz PNJBRNMBTQLMEU-UHFFFAOYSA-N 1 2 348.240 3.852 20 0 EHADLO Cc1ccc2c(C3=CC[N@H+](Cc4cn(C(C)C)nn4)CC3)c[nH]c2c1 ZINC000347615742 1128143506 /nfs/dbraw/zinc/14/35/06/1128143506.db2.gz QWSZFAYKGNHKFB-UHFFFAOYSA-N 1 2 335.455 3.938 20 0 EHADLO Cc1ccc2c(C3=CC[N@@H+](Cc4cn(C(C)C)nn4)CC3)c[nH]c2c1 ZINC000347615742 1128143510 /nfs/dbraw/zinc/14/35/10/1128143510.db2.gz QWSZFAYKGNHKFB-UHFFFAOYSA-N 1 2 335.455 3.938 20 0 EHADLO Cc1noc(C)c1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000063550207 1128147277 /nfs/dbraw/zinc/14/72/77/1128147277.db2.gz OYMAFMDGIZPIIH-UHFFFAOYSA-N 1 2 348.809 3.868 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000615910191 1128213627 /nfs/dbraw/zinc/21/36/27/1128213627.db2.gz GYXTWTZUPMLORX-UHFFFAOYSA-N 1 2 328.460 3.594 20 0 EHADLO Cc1nc(CC(C)C)sc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420665 1128266374 /nfs/dbraw/zinc/26/63/74/1128266374.db2.gz WLYULDJKSSKGOI-UHFFFAOYSA-N 1 2 346.500 3.667 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000671753068 1128218781 /nfs/dbraw/zinc/21/87/81/1128218781.db2.gz ZXGRNWQCAPJTQZ-SSDOTTSWSA-N 1 2 340.276 3.941 20 0 EHADLO CCC[C@@H](C)CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001687461799 1128239579 /nfs/dbraw/zinc/23/95/79/1128239579.db2.gz SURRAZLTGHCRCZ-HZPDHXFCSA-N 1 2 337.533 3.963 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000067523808 1128243053 /nfs/dbraw/zinc/24/30/53/1128243053.db2.gz IUUCSGHCGUZCRV-UHFFFAOYSA-N 1 2 349.409 3.668 20 0 EHADLO CCc1ccsc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523810 1128243232 /nfs/dbraw/zinc/24/32/32/1128243232.db2.gz HGLBUTICIRXSMG-UHFFFAOYSA-N 1 2 329.400 3.565 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000069214974 1128283533 /nfs/dbraw/zinc/28/35/33/1128283533.db2.gz XEKISBRZLGMETN-UHFFFAOYSA-N 1 2 335.329 3.995 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072484696 1128298456 /nfs/dbraw/zinc/29/84/56/1128298456.db2.gz MPIYZQVLLBNNAW-QGZVFWFLSA-N 1 2 348.450 3.834 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000072580423 1128302117 /nfs/dbraw/zinc/30/21/17/1128302117.db2.gz NEAOSAAHQWWRDP-CQSZACIVSA-N 1 2 337.345 3.826 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000072580423 1128302122 /nfs/dbraw/zinc/30/21/22/1128302122.db2.gz NEAOSAAHQWWRDP-CQSZACIVSA-N 1 2 337.345 3.826 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2cnccc21 ZINC000073046427 1128314514 /nfs/dbraw/zinc/31/45/14/1128314514.db2.gz VGZCTXFNWLCPDO-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1cccc(COc2ccc([C@@H](C)NC(=O)Cn3cc[nH+]c3)cc2)c1 ZINC000073334449 1128321583 /nfs/dbraw/zinc/32/15/83/1128321583.db2.gz IHOKUTIQAHQMRE-QGZVFWFLSA-N 1 2 349.434 3.648 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000073180568 1128318290 /nfs/dbraw/zinc/31/82/90/1128318290.db2.gz BHXRNFRXCFJMCI-IBGZPJMESA-N 1 2 339.464 3.974 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000073566131 1128324914 /nfs/dbraw/zinc/32/49/14/1128324914.db2.gz FTSOPDZSMVQRKA-QGZVFWFLSA-N 1 2 340.471 3.509 20 0 EHADLO CCO[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C(C)C ZINC000624467753 1128369579 /nfs/dbraw/zinc/36/95/79/1128369579.db2.gz GGESJINJDQSGEV-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO Cc1occc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624535255 1128388766 /nfs/dbraw/zinc/38/87/66/1128388766.db2.gz FERUDEJJNKJKIV-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1occc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624535255 1128388770 /nfs/dbraw/zinc/38/87/70/1128388770.db2.gz FERUDEJJNKJKIV-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO COc1ccc(CN(C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001670977073 1128404038 /nfs/dbraw/zinc/40/40/38/1128404038.db2.gz KIIFZCBGOKSTDG-UHFFFAOYSA-N 1 2 344.802 3.660 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cncnc3)no2)cc1 ZINC000624661291 1128421792 /nfs/dbraw/zinc/42/17/92/1128421792.db2.gz XSJRZMJBHMZOFY-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cncnc3)no2)cc1 ZINC000624661291 1128421794 /nfs/dbraw/zinc/42/17/94/1128421794.db2.gz XSJRZMJBHMZOFY-OAHLLOKOSA-N 1 2 341.802 3.517 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCc4cccnc43)cc2)[nH+]c1C ZINC000921657841 1128438518 /nfs/dbraw/zinc/43/85/18/1128438518.db2.gz CLQMVCJVJPFOPY-KRWDZBQOSA-N 1 2 332.407 3.757 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccnc(C4CC4)n3)cc2)[nH+]c1C ZINC000921662437 1128440742 /nfs/dbraw/zinc/44/07/42/1128440742.db2.gz NHAVLERXXMTGPO-UHFFFAOYSA-N 1 2 333.395 3.613 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CCCCO3)cc2)[nH+]c1C ZINC000921663491 1128441562 /nfs/dbraw/zinc/44/15/62/1128441562.db2.gz XSZDPJFXNAJGQT-QGZVFWFLSA-N 1 2 327.428 3.981 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC(F)(F)C(F)F)cc2)[nH+]c1C ZINC000921667585 1128446990 /nfs/dbraw/zinc/44/69/90/1128446990.db2.gz KANAPWWPPOKTIK-UHFFFAOYSA-N 1 2 329.297 3.923 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)cc2)[nH+]c1C ZINC000921668735 1128448456 /nfs/dbraw/zinc/44/84/56/1128448456.db2.gz JKUACCCKNLNHMI-KWAYOQMPSA-N 1 2 327.428 3.692 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000054546828 1128478706 /nfs/dbraw/zinc/47/87/06/1128478706.db2.gz DGQLSAWOPLCPDH-INIZCTEOSA-N 1 2 332.448 3.553 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@H+]2Cn2ncn(C3CC3)c2=S)c1 ZINC000054546828 1128478710 /nfs/dbraw/zinc/47/87/10/1128478710.db2.gz DGQLSAWOPLCPDH-INIZCTEOSA-N 1 2 332.448 3.553 20 0 EHADLO CC(=O)n1ncc2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc21 ZINC001212418924 1128486455 /nfs/dbraw/zinc/48/64/55/1128486455.db2.gz INYSXEAHFNIOSZ-UHFFFAOYSA-N 1 2 331.379 3.685 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc4occc4c3)CC2)c(C)o1 ZINC000347639936 1128503554 /nfs/dbraw/zinc/50/35/54/1128503554.db2.gz PRVXVAQTYDVAEG-UHFFFAOYSA-N 1 2 338.407 3.601 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633670 1128513639 /nfs/dbraw/zinc/51/36/39/1128513639.db2.gz JCXZCHBRNWNFNJ-HYVNUMGLSA-N 1 2 343.389 3.985 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633670 1128513643 /nfs/dbraw/zinc/51/36/43/1128513643.db2.gz JCXZCHBRNWNFNJ-HYVNUMGLSA-N 1 2 343.389 3.985 20 0 EHADLO CCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000056630492 1128571335 /nfs/dbraw/zinc/57/13/35/1128571335.db2.gz WJUACMXMPKRRQP-UHFFFAOYSA-N 1 2 336.823 3.537 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2ccccc2)no1 ZINC000301505338 1128594539 /nfs/dbraw/zinc/59/45/39/1128594539.db2.gz DQLPOWIGVMAGEO-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc(-c2ccccc2)no1 ZINC000301505338 1128594544 /nfs/dbraw/zinc/59/45/44/1128594544.db2.gz DQLPOWIGVMAGEO-UHFFFAOYSA-N 1 2 343.814 3.901 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc2ccccc2[nH]1 ZINC000921761058 1128734830 /nfs/dbraw/zinc/73/48/30/1128734830.db2.gz NHSZAZMMGIIHOL-OAHLLOKOSA-N 1 2 341.386 3.730 20 0 EHADLO CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265749415 1128763556 /nfs/dbraw/zinc/76/35/56/1128763556.db2.gz YEOXZVMFFGHCGQ-HXUWFJFHSA-N 1 2 348.450 3.940 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000542881907 1128787750 /nfs/dbraw/zinc/78/77/50/1128787750.db2.gz VXTLJDBQNAIIMA-CQSZACIVSA-N 1 2 336.313 3.670 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H](C3CC3)[C@H]3CCCCO3)c12 ZINC000656206824 1128817933 /nfs/dbraw/zinc/81/79/33/1128817933.db2.gz FAXXMYXTZUBJFB-QZTJIDSGSA-N 1 2 349.438 3.575 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000357151271 1128824956 /nfs/dbraw/zinc/82/49/56/1128824956.db2.gz RQDDDMNLTHSBHJ-CYBMUJFWSA-N 1 2 346.862 3.525 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)[C@H](C)C1 ZINC000672189846 1128841040 /nfs/dbraw/zinc/84/10/40/1128841040.db2.gz IZFQVXZWPKKASK-OAHLLOKOSA-N 1 2 343.496 3.593 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)[C@H](C)C1 ZINC000672189846 1128841045 /nfs/dbraw/zinc/84/10/45/1128841045.db2.gz IZFQVXZWPKKASK-OAHLLOKOSA-N 1 2 343.496 3.593 20 0 EHADLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000075409502 1128858128 /nfs/dbraw/zinc/85/81/28/1128858128.db2.gz UARXKNNLRPZWKY-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532880 1128865131 /nfs/dbraw/zinc/86/51/31/1128865131.db2.gz UZKKAQSXEGZWIM-MRXNPFEDSA-N 1 2 348.406 3.617 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC001648882932 1120061047 /nfs/dbraw/zinc/06/10/47/1120061047.db2.gz LBRUANBABNJDRP-QFBILLFUSA-N 1 2 334.479 3.539 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC001648882932 1120061053 /nfs/dbraw/zinc/06/10/53/1120061053.db2.gz LBRUANBABNJDRP-QFBILLFUSA-N 1 2 334.479 3.539 20 0 EHADLO CC1=C(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)CCC1 ZINC001648893937 1120061565 /nfs/dbraw/zinc/06/15/65/1120061565.db2.gz KSRQWVZSVVGCET-UHFFFAOYSA-N 1 2 343.858 3.744 20 0 EHADLO CC1(C)CCC(C)(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001670703192 1120103826 /nfs/dbraw/zinc/10/38/26/1120103826.db2.gz LBDATNPNZNRUAB-INIZCTEOSA-N 1 2 344.503 3.566 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H]2CC=CCC2)c1C ZINC001687324964 1120128853 /nfs/dbraw/zinc/12/88/53/1120128853.db2.gz BYMWLITXESBYRZ-MRXNPFEDSA-N 1 2 331.460 3.595 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCCC2(CCCC2)C1 ZINC001687361199 1120176151 /nfs/dbraw/zinc/17/61/51/1120176151.db2.gz ROAHSXZIDMZXNY-SFHVURJKSA-N 1 2 327.472 3.539 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCCC2(CCCC2)C1 ZINC001687361199 1120176154 /nfs/dbraw/zinc/17/61/54/1120176154.db2.gz ROAHSXZIDMZXNY-SFHVURJKSA-N 1 2 327.472 3.539 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000542947834 1128896322 /nfs/dbraw/zinc/89/63/22/1128896322.db2.gz JLKLHJWNIOCUHI-KRWDZBQOSA-N 1 2 338.451 3.711 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000542947834 1128896325 /nfs/dbraw/zinc/89/63/25/1128896325.db2.gz JLKLHJWNIOCUHI-KRWDZBQOSA-N 1 2 338.451 3.711 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)cc2c1C ZINC001648951866 1120254309 /nfs/dbraw/zinc/25/43/09/1120254309.db2.gz SLDACQJHVASIQJ-HXUWFJFHSA-N 1 2 333.435 3.701 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)cc2c1C ZINC001648951866 1120254312 /nfs/dbraw/zinc/25/43/12/1120254312.db2.gz SLDACQJHVASIQJ-HXUWFJFHSA-N 1 2 333.435 3.701 20 0 EHADLO CCO[C@@H](CCNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000177359351 1120310267 /nfs/dbraw/zinc/31/02/67/1120310267.db2.gz WPXPANWBVIPIPB-IBGZPJMESA-N 1 2 341.455 3.588 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001687423729 1120336137 /nfs/dbraw/zinc/33/61/37/1120336137.db2.gz DSXCBCOIYAHVQC-IEBWSBKVSA-N 1 2 340.471 3.846 20 0 EHADLO O=C(Nc1ccc2nc(C(F)F)sc2c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000672299819 1128912384 /nfs/dbraw/zinc/91/23/84/1128912384.db2.gz QTDXZXOVJMGEEU-SECBINFHSA-N 1 2 348.378 3.632 20 0 EHADLO c1ccc([C@@H]2OCCC[C@H]2CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302917857 1120396456 /nfs/dbraw/zinc/39/64/56/1120396456.db2.gz XJFJUCSFCQYMEV-PXNSSMCTSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@@H]2OCCC[C@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302917857 1120396462 /nfs/dbraw/zinc/39/64/62/1120396462.db2.gz XJFJUCSFCQYMEV-PXNSSMCTSA-N 1 2 338.455 3.657 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1OC(F)F ZINC000186539782 1120465552 /nfs/dbraw/zinc/46/55/52/1120465552.db2.gz XLHIGVCKRWSZPW-GXFFZTMASA-N 1 2 329.318 3.794 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000186575921 1120467175 /nfs/dbraw/zinc/46/71/75/1120467175.db2.gz MKASGVQPAYMIGD-UHFFFAOYSA-N 1 2 344.503 3.794 20 0 EHADLO CCOC[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000494227983 1120507705 /nfs/dbraw/zinc/50/77/05/1120507705.db2.gz SIUIUZUQONJSBC-AWEZNQCLSA-N 1 2 347.484 3.651 20 0 EHADLO FC(F)(F)C(F)(F)COCCSc1[nH+]cc2ccccn21 ZINC000188822404 1120509055 /nfs/dbraw/zinc/50/90/55/1120509055.db2.gz NTGMBBWEXJHMKW-UHFFFAOYSA-N 1 2 326.290 3.641 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494253226 1120514964 /nfs/dbraw/zinc/51/49/64/1120514964.db2.gz FZMVMZGZJFHJEH-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494253226 1120514967 /nfs/dbraw/zinc/51/49/67/1120514967.db2.gz FZMVMZGZJFHJEH-UHFFFAOYSA-N 1 2 346.427 3.845 20 0 EHADLO Cc1nc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC000076478304 1128922988 /nfs/dbraw/zinc/92/29/88/1128922988.db2.gz TWIMBJXJFNHXBA-UHFFFAOYSA-N 1 2 340.452 3.611 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)n1 ZINC000494357521 1120537576 /nfs/dbraw/zinc/53/75/76/1120537576.db2.gz JWEGRQNYYZXDKR-GFCCVEGCSA-N 1 2 332.469 3.717 20 0 EHADLO C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)c1nccn1C ZINC000494440447 1120566702 /nfs/dbraw/zinc/56/67/02/1120566702.db2.gz XQFQWQDUKHTROW-JOYOIKCWSA-N 1 2 338.274 3.680 20 0 EHADLO C[C@H](C[N@H+](C)Cc1nccn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354173 1120634648 /nfs/dbraw/zinc/63/46/48/1120634648.db2.gz IQEZXXVUQPQXQL-LLVKDONJSA-N 1 2 328.243 3.626 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1nccn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354173 1120634650 /nfs/dbraw/zinc/63/46/50/1120634650.db2.gz IQEZXXVUQPQXQL-LLVKDONJSA-N 1 2 328.243 3.626 20 0 EHADLO COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccc2OC)n1 ZINC000190986364 1120657325 /nfs/dbraw/zinc/65/73/25/1120657325.db2.gz AMBGFMHAPWMIDM-OAQYLSRUSA-N 1 2 334.419 3.978 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494711362 1120738427 /nfs/dbraw/zinc/73/84/27/1120738427.db2.gz RYZBZBXSIDSWTE-OAHLLOKOSA-N 1 2 331.435 3.586 20 0 EHADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494711362 1120738431 /nfs/dbraw/zinc/73/84/31/1120738431.db2.gz RYZBZBXSIDSWTE-OAHLLOKOSA-N 1 2 331.435 3.586 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000193115543 1120759045 /nfs/dbraw/zinc/75/90/45/1120759045.db2.gz XGTWZXOSGWXULS-UHFFFAOYSA-N 1 2 348.487 3.551 20 0 EHADLO CC(C)c1noc2ncc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc21 ZINC000193366278 1120773470 /nfs/dbraw/zinc/77/34/70/1120773470.db2.gz HXCCACLPTOUVFU-UHFFFAOYSA-N 1 2 347.378 3.784 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3nc(C)sc3c2)c1C ZINC000761687482 1120798013 /nfs/dbraw/zinc/79/80/13/1120798013.db2.gz GPUTYIKFZYVSDA-UHFFFAOYSA-N 1 2 341.436 3.555 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2)on1 ZINC000076712124 1128943514 /nfs/dbraw/zinc/94/35/14/1128943514.db2.gz CDTFVKRGGYWKNG-XJKSGUPXSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2)on1 ZINC000076712124 1128943517 /nfs/dbraw/zinc/94/35/17/1128943517.db2.gz CDTFVKRGGYWKNG-XJKSGUPXSA-N 1 2 347.846 3.651 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000194373147 1120838635 /nfs/dbraw/zinc/83/86/35/1120838635.db2.gz IKBWUIHEQOAONM-ZDUSSCGKSA-N 1 2 337.510 3.961 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000194373147 1120838638 /nfs/dbraw/zinc/83/86/38/1120838638.db2.gz IKBWUIHEQOAONM-ZDUSSCGKSA-N 1 2 337.510 3.961 20 0 EHADLO CCC(CC)N(CC)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000494835411 1120879788 /nfs/dbraw/zinc/87/97/88/1120879788.db2.gz JQERYCJGTNTRMT-UHFFFAOYSA-N 1 2 333.501 3.913 20 0 EHADLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000671307703 1120957175 /nfs/dbraw/zinc/95/71/75/1120957175.db2.gz DOTSRJDVPRBZKI-HNNXBMFYSA-N 1 2 342.462 3.624 20 0 EHADLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000671307703 1120957179 /nfs/dbraw/zinc/95/71/79/1120957179.db2.gz DOTSRJDVPRBZKI-HNNXBMFYSA-N 1 2 342.462 3.624 20 0 EHADLO Cc1nc(CCCC(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000495162744 1120974446 /nfs/dbraw/zinc/97/44/46/1120974446.db2.gz CPLHFSLUOFKXMM-UHFFFAOYSA-N 1 2 326.425 3.599 20 0 EHADLO CC[C@@H](NC(=S)NCc1ccn2cc[nH+]c2c1)c1cccs1 ZINC000761836528 1120978107 /nfs/dbraw/zinc/97/81/07/1120978107.db2.gz DGAPMLJKKGQDGA-CYBMUJFWSA-N 1 2 330.482 3.511 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+](C)C3CCCC3)c(=S)o2)cc1 ZINC000914781726 1120983899 /nfs/dbraw/zinc/98/38/99/1120983899.db2.gz GVVBXYNPKKRRKZ-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+](C)C3CCCC3)c(=S)o2)cc1 ZINC000914781726 1120983902 /nfs/dbraw/zinc/98/39/02/1120983902.db2.gz GVVBXYNPKKRRKZ-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO OC[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccccc1 ZINC000230308300 1121001433 /nfs/dbraw/zinc/00/14/33/1121001433.db2.gz KUSOKVFWDLINFK-CQSZACIVSA-N 1 2 342.183 3.551 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377343 1121002445 /nfs/dbraw/zinc/00/24/45/1121002445.db2.gz JCLVAVAGENWFFD-WDEREUQCSA-N 1 2 348.231 3.853 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377343 1121002449 /nfs/dbraw/zinc/00/24/49/1121002449.db2.gz JCLVAVAGENWFFD-WDEREUQCSA-N 1 2 348.231 3.853 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cc(F)c(OC(F)F)c(F)c1 ZINC001212449084 1128962571 /nfs/dbraw/zinc/96/25/71/1128962571.db2.gz IPCKVCQBTBDKJC-UHFFFAOYSA-N 1 2 325.265 3.796 20 0 EHADLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455403 1121149081 /nfs/dbraw/zinc/14/90/81/1121149081.db2.gz JTUCZHXYVZLXNG-CZUORRHYSA-N 1 2 340.870 3.996 20 0 EHADLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303455403 1121149083 /nfs/dbraw/zinc/14/90/83/1121149083.db2.gz JTUCZHXYVZLXNG-CZUORRHYSA-N 1 2 340.870 3.996 20 0 EHADLO c1cn(-c2ccc(-c3nc(-c4ccc5c(n4)CCCC5)no3)cc2)c[nH+]1 ZINC000762227312 1121192075 /nfs/dbraw/zinc/19/20/75/1121192075.db2.gz YYIAQSKVARYTQM-UHFFFAOYSA-N 1 2 343.390 3.863 20 0 EHADLO CCN(C)c1cc(NCc2c(OC)cccc2C(F)(F)F)[nH+]cn1 ZINC001168489270 1121259890 /nfs/dbraw/zinc/25/98/90/1121259890.db2.gz LIMSYAYICQMTSA-UHFFFAOYSA-N 1 2 340.349 3.572 20 0 EHADLO CCN(C)c1cc(NCc2c(OC)cccc2C(F)(F)F)nc[nH+]1 ZINC001168489270 1121259896 /nfs/dbraw/zinc/25/98/96/1121259896.db2.gz LIMSYAYICQMTSA-UHFFFAOYSA-N 1 2 340.349 3.572 20 0 EHADLO COc1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)ccc1C ZINC000053583009 1121282712 /nfs/dbraw/zinc/28/27/12/1121282712.db2.gz RSPNNIXRGFNWQF-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762763645 1121439041 /nfs/dbraw/zinc/43/90/41/1121439041.db2.gz VHGOZZQKSIKRKD-SFYZADRCSA-N 1 2 342.212 4.000 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000077139265 1128992815 /nfs/dbraw/zinc/99/28/15/1128992815.db2.gz ATOOFEDJXKMMDL-UHFFFAOYSA-N 1 2 333.435 3.521 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)cc(Cl)n1 ZINC000762939797 1121549095 /nfs/dbraw/zinc/54/90/95/1121549095.db2.gz JIWYUTPCVPSLNS-UHFFFAOYSA-N 1 2 348.189 3.931 20 0 EHADLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC3(CCC3(F)F)C2)s1 ZINC000495952777 1121579117 /nfs/dbraw/zinc/57/91/17/1121579117.db2.gz VFMDHIOODVKPBG-UHFFFAOYSA-N 1 2 345.415 3.721 20 0 EHADLO O=C(CSc1cc(Cl)ccc1Cl)OCCn1cc[nH+]c1 ZINC000763116249 1121695630 /nfs/dbraw/zinc/69/56/30/1121695630.db2.gz PWAJNPHRXADBCP-UHFFFAOYSA-N 1 2 331.224 3.525 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC000170033873 1121723017 /nfs/dbraw/zinc/72/30/17/1121723017.db2.gz FRKPAJUEXLRPCN-UHFFFAOYSA-N 1 2 347.827 3.839 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1scnc1C)[C@H](C)c1ccc(F)cc1 ZINC000171751460 1121738206 /nfs/dbraw/zinc/73/82/06/1121738206.db2.gz HZZZYYARYYQUNS-CQSZACIVSA-N 1 2 349.475 3.632 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1scnc1C)[C@H](C)c1ccc(F)cc1 ZINC000171751460 1121738213 /nfs/dbraw/zinc/73/82/13/1121738213.db2.gz HZZZYYARYYQUNS-CQSZACIVSA-N 1 2 349.475 3.632 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@H+](CCOC1CCC1)C2 ZINC000672546162 1129007462 /nfs/dbraw/zinc/00/74/62/1129007462.db2.gz VSUBAZLMVTXDNM-UHFFFAOYSA-N 1 2 328.225 3.515 20 0 EHADLO Fc1cc(Br)cc2c1CC[N@@H+](CCOC1CCC1)C2 ZINC000672546162 1129007467 /nfs/dbraw/zinc/00/74/67/1129007467.db2.gz VSUBAZLMVTXDNM-UHFFFAOYSA-N 1 2 328.225 3.515 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2[nH+]1 ZINC000055229665 1121809026 /nfs/dbraw/zinc/80/90/26/1121809026.db2.gz PTSRBZBRUPIXLE-UHFFFAOYSA-N 1 2 333.363 3.880 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000055528476 1121845437 /nfs/dbraw/zinc/84/54/37/1121845437.db2.gz UFNKPGZCVGGNHX-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000055528476 1121845446 /nfs/dbraw/zinc/84/54/46/1121845446.db2.gz UFNKPGZCVGGNHX-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696657 1121857563 /nfs/dbraw/zinc/85/75/63/1121857563.db2.gz NQZXDAOSCOWRNH-UHFFFAOYSA-N 1 2 333.435 3.820 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485247 1121921501 /nfs/dbraw/zinc/92/15/01/1121921501.db2.gz OIWQMWLSICDBCQ-CYBMUJFWSA-N 1 2 348.397 3.564 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000763287250 1121943598 /nfs/dbraw/zinc/94/35/98/1121943598.db2.gz GTWPWMCRCSKGHZ-UHFFFAOYSA-N 1 2 334.375 3.754 20 0 EHADLO CN(C)c1cc(COC(=O)c2c(Cl)cccc2Cl)cc[nH+]1 ZINC000763288385 1121944105 /nfs/dbraw/zinc/94/41/05/1121944105.db2.gz UHIUNWOXHOQTBM-UHFFFAOYSA-N 1 2 325.195 3.811 20 0 EHADLO COc1ccc(Cl)cc1-c1nc(SCc2[nH]c(C)[nH+]c2C)n[nH]1 ZINC000915905449 1121976179 /nfs/dbraw/zinc/97/61/79/1121976179.db2.gz MRPBQMDPIGTMON-UHFFFAOYSA-N 1 2 349.847 3.766 20 0 EHADLO Cc1c(Cl)cccc1NC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010050 1122027527 /nfs/dbraw/zinc/02/75/27/1122027527.db2.gz BVXZCTYKUDICHH-UHFFFAOYSA-N 1 2 348.903 3.710 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000672622483 1129028093 /nfs/dbraw/zinc/02/80/93/1129028093.db2.gz YZJMMDUHFMWFSW-CZUORRHYSA-N 1 2 335.398 3.838 20 0 EHADLO O=C(Nc1ccnn1C1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916162810 1122077808 /nfs/dbraw/zinc/07/78/08/1122077808.db2.gz DCHQPRAUNFUZHM-UHFFFAOYSA-N 1 2 349.438 3.885 20 0 EHADLO CC(C)[C@@H]1C[C@H](Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496921838 1122214806 /nfs/dbraw/zinc/21/48/06/1122214806.db2.gz RBTFXIGZFHKKDX-CVEARBPZSA-N 1 2 349.475 3.722 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000037505175 1122230884 /nfs/dbraw/zinc/23/08/84/1122230884.db2.gz LBPAUTDPLBIPAH-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000465990951 1129046141 /nfs/dbraw/zinc/04/61/41/1129046141.db2.gz DUQCUEOGRXDUSF-OAHLLOKOSA-N 1 2 335.517 3.544 20 0 EHADLO CCc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000125371214 1122314442 /nfs/dbraw/zinc/31/44/42/1122314442.db2.gz MXULPTZAGFCHFI-UHFFFAOYSA-N 1 2 329.469 3.944 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000125735167 1122329700 /nfs/dbraw/zinc/32/97/00/1122329700.db2.gz FOFXSMSHPGPBAQ-QGZVFWFLSA-N 1 2 335.455 3.781 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000125735167 1122329702 /nfs/dbraw/zinc/32/97/02/1122329702.db2.gz FOFXSMSHPGPBAQ-QGZVFWFLSA-N 1 2 335.455 3.781 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000126420619 1122405572 /nfs/dbraw/zinc/40/55/72/1122405572.db2.gz MKCQTAKLTJBNCY-KSSFIOAISA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1ccc([C@H](C)[N@H+]2CCO[C@H](c3ccccc3C)C2)o1 ZINC000126420619 1122405577 /nfs/dbraw/zinc/40/55/77/1122405577.db2.gz MKCQTAKLTJBNCY-KSSFIOAISA-N 1 2 329.396 3.509 20 0 EHADLO COc1cc(C[N@H+](C)CN2C(=O)[C@H]3CCCCC[C@@H]32)ccc1SC ZINC000749950741 1122432976 /nfs/dbraw/zinc/43/29/76/1122432976.db2.gz VWXOFWLJRVPJSA-HOTGVXAUSA-N 1 2 348.512 3.598 20 0 EHADLO COc1cc(C[N@@H+](C)CN2C(=O)[C@H]3CCCCC[C@@H]32)ccc1SC ZINC000749950741 1122432979 /nfs/dbraw/zinc/43/29/79/1122432979.db2.gz VWXOFWLJRVPJSA-HOTGVXAUSA-N 1 2 348.512 3.598 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1c(F)cccc1Cl ZINC000917008663 1122436478 /nfs/dbraw/zinc/43/64/78/1122436478.db2.gz ZTIMJLXMNPJTNL-ZDUSSCGKSA-N 1 2 338.814 3.912 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000917057131 1122457026 /nfs/dbraw/zinc/45/70/26/1122457026.db2.gz OOBUVKXWYSRADA-HNNXBMFYSA-N 1 2 347.846 3.599 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000917057131 1122457028 /nfs/dbraw/zinc/45/70/28/1122457028.db2.gz OOBUVKXWYSRADA-HNNXBMFYSA-N 1 2 347.846 3.599 20 0 EHADLO C[C@@H](CCC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000127408821 1122482501 /nfs/dbraw/zinc/48/25/01/1122482501.db2.gz UZVBDPLGACDGBJ-KRWDZBQOSA-N 1 2 342.508 3.976 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000127677105 1122501215 /nfs/dbraw/zinc/50/12/15/1122501215.db2.gz UOVJKPWTBVTSON-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)c1cccs1 ZINC000127677105 1122501226 /nfs/dbraw/zinc/50/12/26/1122501226.db2.gz UOVJKPWTBVTSON-LLVKDONJSA-N 1 2 340.851 3.850 20 0 EHADLO CCc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067558003 1122521042 /nfs/dbraw/zinc/52/10/42/1122521042.db2.gz XWYGPWXYEUQHFA-UHFFFAOYSA-N 1 2 338.386 3.896 20 0 EHADLO CN(C)c1ccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000917128189 1122532466 /nfs/dbraw/zinc/53/24/66/1122532466.db2.gz YKGXSCMCUGKKIZ-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)sc1C ZINC000128222183 1122539262 /nfs/dbraw/zinc/53/92/62/1122539262.db2.gz DGLJYQBPBPGJMG-UHFFFAOYSA-N 1 2 341.436 3.893 20 0 EHADLO O=C(NC1CCCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000128277256 1122548687 /nfs/dbraw/zinc/54/86/87/1122548687.db2.gz XJIHKWLGTLRIAF-MOPGFXCFSA-N 1 2 338.455 3.744 20 0 EHADLO CCC[N@@H+](Cc1ccc(C)cc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000917455355 1122611987 /nfs/dbraw/zinc/61/19/87/1122611987.db2.gz UBSWVSLSQZXXDM-UHFFFAOYSA-N 1 2 340.254 3.728 20 0 EHADLO CCC[N@H+](Cc1ccc(C)cc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000917455355 1122611989 /nfs/dbraw/zinc/61/19/89/1122611989.db2.gz UBSWVSLSQZXXDM-UHFFFAOYSA-N 1 2 340.254 3.728 20 0 EHADLO CO[C@@H](C)C(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000917576994 1122642549 /nfs/dbraw/zinc/64/25/49/1122642549.db2.gz OZXYJYASWMVUQP-HZMBPMFUSA-N 1 2 343.210 3.509 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000917641826 1122656206 /nfs/dbraw/zinc/65/62/06/1122656206.db2.gz DLVYVVHNSOBDKM-SEWDUPMJSA-N 1 2 332.875 3.902 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000917939655 1122714572 /nfs/dbraw/zinc/71/45/72/1122714572.db2.gz QJPCBKMNKCZSMJ-XKSGDERDSA-N 1 2 338.442 3.945 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000444670108 1122719070 /nfs/dbraw/zinc/71/90/70/1122719070.db2.gz FAZGQIVZLPLFAM-GFCCVEGCSA-N 1 2 342.830 3.575 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000129172567 1122750705 /nfs/dbraw/zinc/75/07/05/1122750705.db2.gz OXJYBHRTZKMUGZ-UHFFFAOYSA-N 1 2 334.423 3.807 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000069086506 1122750783 /nfs/dbraw/zinc/75/07/83/1122750783.db2.gz ANYRIDQHPZBGFC-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000069086506 1122750787 /nfs/dbraw/zinc/75/07/87/1122750787.db2.gz ANYRIDQHPZBGFC-KRWDZBQOSA-N 1 2 346.377 3.749 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C2CC2)n1 ZINC000152611483 1122761517 /nfs/dbraw/zinc/76/15/17/1122761517.db2.gz XKAAIXFJZLURLJ-HXUWFJFHSA-N 1 2 343.471 3.698 20 0 EHADLO CC(C)c1nc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cs1 ZINC000129503906 1122791501 /nfs/dbraw/zinc/79/15/01/1122791501.db2.gz HLNVLGURLDTRQS-UHFFFAOYSA-N 1 2 337.533 3.831 20 0 EHADLO O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194667703 1122820479 /nfs/dbraw/zinc/82/04/79/1122820479.db2.gz YJYHHYHBQAHJAE-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000130484876 1122954444 /nfs/dbraw/zinc/95/44/44/1122954444.db2.gz OWJKVDNAXZYIKY-UHFFFAOYSA-N 1 2 346.793 3.690 20 0 EHADLO C[N@@H+]1CCN(CCCc2cccc(F)c2)C[C@H]1Cc1ccccc1 ZINC000556505538 1123004066 /nfs/dbraw/zinc/00/40/66/1123004066.db2.gz KOYRQQBADKBKJP-OAQYLSRUSA-N 1 2 326.459 3.617 20 0 EHADLO C[N@H+]1CCN(CCCc2cccc(F)c2)C[C@H]1Cc1ccccc1 ZINC000556505538 1123004072 /nfs/dbraw/zinc/00/40/72/1123004072.db2.gz KOYRQQBADKBKJP-OAQYLSRUSA-N 1 2 326.459 3.617 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000131018067 1123031372 /nfs/dbraw/zinc/03/13/72/1123031372.db2.gz URRDBOVZDKYBBK-MRXNPFEDSA-N 1 2 348.830 3.855 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000131018067 1123031377 /nfs/dbraw/zinc/03/13/77/1123031377.db2.gz URRDBOVZDKYBBK-MRXNPFEDSA-N 1 2 348.830 3.855 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000113951242 1129094360 /nfs/dbraw/zinc/09/43/60/1129094360.db2.gz IXUOIIFOMFNWGL-AUUYWEPGSA-N 1 2 341.455 3.696 20 0 EHADLO CC(C)C1CCC(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000445219969 1123077961 /nfs/dbraw/zinc/07/79/61/1123077961.db2.gz TVQPQGKEYPZQMK-ABHNRTSZSA-N 1 2 346.519 3.772 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000649209309 1123100428 /nfs/dbraw/zinc/10/04/28/1123100428.db2.gz NHYVLELOVZNQMS-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)cs1 ZINC000556848781 1123148698 /nfs/dbraw/zinc/14/86/98/1123148698.db2.gz WUKCEEAYQVHUTD-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)cs1 ZINC000556848781 1123148701 /nfs/dbraw/zinc/14/87/01/1123148701.db2.gz WUKCEEAYQVHUTD-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccc4[nH]cnc4c3)CC2)s1 ZINC000556862910 1123152842 /nfs/dbraw/zinc/15/28/42/1123152842.db2.gz ITLDPVXCYDMXNR-UHFFFAOYSA-N 1 2 340.496 3.505 20 0 EHADLO CCc1ccc(C[NH+]2CCN(Cc3ccc4nc[nH]c4c3)CC2)s1 ZINC000556862910 1123152846 /nfs/dbraw/zinc/15/28/46/1123152846.db2.gz ITLDPVXCYDMXNR-UHFFFAOYSA-N 1 2 340.496 3.505 20 0 EHADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000131959658 1123193518 /nfs/dbraw/zinc/19/35/18/1123193518.db2.gz HATXVUUOPHLWAJ-QGZVFWFLSA-N 1 2 344.503 3.548 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132058189 1123198874 /nfs/dbraw/zinc/19/88/74/1123198874.db2.gz YMVBLTXEGXEZHE-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccsc1Br ZINC000922108140 1129111016 /nfs/dbraw/zinc/11/10/16/1129111016.db2.gz MYWNLNDXEQSGTH-UHFFFAOYSA-N 1 2 334.670 3.739 20 0 EHADLO CCOc1ccc(OC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000920244338 1123346925 /nfs/dbraw/zinc/34/69/25/1123346925.db2.gz PFBMWBCTNSYJEJ-LJQANCHMSA-N 1 2 325.408 3.655 20 0 EHADLO CCOc1ccc(OC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000920244338 1123346930 /nfs/dbraw/zinc/34/69/30/1123346930.db2.gz PFBMWBCTNSYJEJ-LJQANCHMSA-N 1 2 325.408 3.655 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC(C)(C)C1 ZINC000076013409 1123454351 /nfs/dbraw/zinc/45/43/51/1123454351.db2.gz MSEWKUXJGUVCBF-NSHDSACASA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC(C)(C)C1 ZINC000076013409 1123454355 /nfs/dbraw/zinc/45/43/55/1123454355.db2.gz MSEWKUXJGUVCBF-NSHDSACASA-N 1 2 325.250 3.508 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccc(F)c2)CCC1 ZINC000921151969 1123472986 /nfs/dbraw/zinc/47/29/86/1123472986.db2.gz HUERJZWRGCVFMW-UHFFFAOYSA-N 1 2 349.409 3.750 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cs1 ZINC000236844602 1123475279 /nfs/dbraw/zinc/47/52/79/1123475279.db2.gz ODMNHQZWQFKTCL-INIZCTEOSA-N 1 2 349.887 3.946 20 0 EHADLO Cc1cccc(C)c1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921142501 1123476284 /nfs/dbraw/zinc/47/62/84/1123476284.db2.gz ASSHPFXDWIQMCA-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO Clc1cnn(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000921185854 1123479914 /nfs/dbraw/zinc/47/99/14/1123479914.db2.gz ZVDYAUAOWVLZPV-CQSZACIVSA-N 1 2 326.227 3.691 20 0 EHADLO Clc1cnn(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000921185854 1123479916 /nfs/dbraw/zinc/47/99/16/1123479916.db2.gz ZVDYAUAOWVLZPV-CQSZACIVSA-N 1 2 326.227 3.691 20 0 EHADLO Fc1cccc(N2CCCC2)c1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922120076 1129124886 /nfs/dbraw/zinc/12/48/86/1129124886.db2.gz CELNNPYZURLFDN-UHFFFAOYSA-N 1 2 348.853 3.970 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC000921205099 1123488041 /nfs/dbraw/zinc/48/80/41/1123488041.db2.gz PBXALJVEIDVBKL-UHFFFAOYSA-N 1 2 335.407 3.631 20 0 EHADLO COCCCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000922121081 1129127630 /nfs/dbraw/zinc/12/76/30/1129127630.db2.gz BLVZXTIVCOJEPM-UHFFFAOYSA-N 1 2 332.444 3.677 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)[C@@H]1C ZINC000174950196 1123558694 /nfs/dbraw/zinc/55/86/94/1123558694.db2.gz FJIUXORWWPGAFE-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)[C@@H]1C ZINC000174950196 1123558699 /nfs/dbraw/zinc/55/86/99/1123558699.db2.gz FJIUXORWWPGAFE-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(I)cc2)CCS1 ZINC000135429188 1123614985 /nfs/dbraw/zinc/61/49/85/1123614985.db2.gz IHQWWGLAABZPTP-ZDUSSCGKSA-N 1 2 347.265 3.619 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(I)cc2)CCS1 ZINC000135429188 1123614989 /nfs/dbraw/zinc/61/49/89/1123614989.db2.gz IHQWWGLAABZPTP-ZDUSSCGKSA-N 1 2 347.265 3.619 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1F ZINC000135889847 1123651858 /nfs/dbraw/zinc/65/18/58/1123651858.db2.gz XNHWERQHWKVBLU-LBPRGKRZSA-N 1 2 327.334 3.893 20 0 EHADLO O=C(CCc1ccsc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000078924592 1123656251 /nfs/dbraw/zinc/65/62/51/1123656251.db2.gz ZEMWIARJUYBUEB-QPJJXVBHSA-N 1 2 340.492 3.538 20 0 EHADLO CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000079255929 1123681496 /nfs/dbraw/zinc/68/14/96/1123681496.db2.gz YAJUHDOLDCMOFT-IBGZPJMESA-N 1 2 337.467 3.882 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000079450466 1123696368 /nfs/dbraw/zinc/69/63/68/1123696368.db2.gz PPCUDSRFTZVFGX-VQIMIIECSA-N 1 2 340.471 3.652 20 0 EHADLO CCOc1cc(C[NH2+][C@H](COC)c2ccco2)cc(Cl)c1OC ZINC000080240335 1123747604 /nfs/dbraw/zinc/74/76/04/1123747604.db2.gz ZKRURJKAMZDOIJ-CQSZACIVSA-N 1 2 339.819 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000137088011 1123749127 /nfs/dbraw/zinc/74/91/27/1123749127.db2.gz HHXZFKZBGOFOPH-GAJHUEQPSA-N 1 2 333.453 3.501 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)o1 ZINC000137088011 1123749129 /nfs/dbraw/zinc/74/91/29/1123749129.db2.gz HHXZFKZBGOFOPH-GAJHUEQPSA-N 1 2 333.453 3.501 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)nc2ccccc12 ZINC000081085047 1123775079 /nfs/dbraw/zinc/77/50/79/1123775079.db2.gz CAKGWIQMPARVMV-OAHLLOKOSA-N 1 2 344.764 3.696 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)nc2ccccc12 ZINC000081085047 1123775085 /nfs/dbraw/zinc/77/50/85/1123775085.db2.gz CAKGWIQMPARVMV-OAHLLOKOSA-N 1 2 344.764 3.696 20 0 EHADLO Cc1cccc(C[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000615329701 1123779590 /nfs/dbraw/zinc/77/95/90/1123779590.db2.gz KPOIQDJBMVHUIE-NRFANRHFSA-N 1 2 345.446 3.537 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000615334502 1123782998 /nfs/dbraw/zinc/78/29/98/1123782998.db2.gz KQEXDJOODOPYTE-VHSXEESVSA-N 1 2 340.320 3.921 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000245421328 1123821818 /nfs/dbraw/zinc/82/18/18/1123821818.db2.gz CPPLWJYGZNKVFT-ARLBYUKCSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000245421328 1123821822 /nfs/dbraw/zinc/82/18/22/1123821822.db2.gz CPPLWJYGZNKVFT-ARLBYUKCSA-N 1 2 333.501 3.750 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245431952 1123825172 /nfs/dbraw/zinc/82/51/72/1123825172.db2.gz OKCCHPAHXKVDMS-ORAYPTAESA-N 1 2 344.842 3.980 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245431952 1123825175 /nfs/dbraw/zinc/82/51/75/1123825175.db2.gz OKCCHPAHXKVDMS-ORAYPTAESA-N 1 2 344.842 3.980 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000245457717 1123835202 /nfs/dbraw/zinc/83/52/02/1123835202.db2.gz UKZCTJSWBMWGKI-CHWSQXEVSA-N 1 2 326.893 3.803 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCS1 ZINC000245457717 1123835205 /nfs/dbraw/zinc/83/52/05/1123835205.db2.gz UKZCTJSWBMWGKI-CHWSQXEVSA-N 1 2 326.893 3.803 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCCC[C@H]12 ZINC000615802339 1123877678 /nfs/dbraw/zinc/87/76/78/1123877678.db2.gz HNYZTZBQXVMTRQ-AHRSYUTCSA-N 1 2 337.467 3.972 20 0 EHADLO O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000237835854 1123881442 /nfs/dbraw/zinc/88/14/42/1123881442.db2.gz AGWNVLRQIOTFQY-UHFFFAOYSA-N 1 2 332.791 3.856 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1C ZINC000245644867 1123907706 /nfs/dbraw/zinc/90/77/06/1123907706.db2.gz AZKKMLWMVRSQPI-IAGOWNOFSA-N 1 2 325.456 3.569 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1C ZINC000245644867 1123907710 /nfs/dbraw/zinc/90/77/10/1123907710.db2.gz AZKKMLWMVRSQPI-IAGOWNOFSA-N 1 2 325.456 3.569 20 0 EHADLO CC[C@H](C)CCc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000564367127 1123911199 /nfs/dbraw/zinc/91/11/99/1123911199.db2.gz FDYNYHMDIADWKU-HNNXBMFYSA-N 1 2 329.444 3.548 20 0 EHADLO Cc1nnc(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)n1C1CC1 ZINC000649319809 1123981493 /nfs/dbraw/zinc/98/14/93/1123981493.db2.gz IKUOGPNRWFDTHC-UHFFFAOYSA-N 1 2 347.344 3.522 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[NH+]1CCC2(CCCCC2)CC1 ZINC000068618301 1123991065 /nfs/dbraw/zinc/99/10/65/1123991065.db2.gz KWJJLNUNFVPTAV-UHFFFAOYSA-N 1 2 343.496 3.976 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246061744 1124010360 /nfs/dbraw/zinc/01/03/60/1124010360.db2.gz AVCJTZURRQGTTC-YYIAUSFCSA-N 1 2 345.487 3.701 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421838111 1129178206 /nfs/dbraw/zinc/17/82/06/1129178206.db2.gz SZUAGPWDOOYZTG-GOSISDBHSA-N 1 2 337.467 3.586 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000246438795 1124467536 /nfs/dbraw/zinc/46/75/36/1124467536.db2.gz HOGZLJKDDYRSQY-SJLPKXTDSA-N 1 2 340.471 3.639 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246438795 1124467542 /nfs/dbraw/zinc/46/75/42/1124467542.db2.gz HOGZLJKDDYRSQY-SJLPKXTDSA-N 1 2 340.471 3.639 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OCC(F)(F)F)cc2)c[nH+]1 ZINC000825286751 1131263449 /nfs/dbraw/zinc/26/34/49/1131263449.db2.gz SAMOBUVOWDDYBE-UHFFFAOYSA-N 1 2 341.333 3.506 20 0 EHADLO COc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)ccc1C ZINC000069188978 1124513322 /nfs/dbraw/zinc/51/33/22/1124513322.db2.gz XHDNIDCABJADMN-UHFFFAOYSA-N 1 2 343.423 3.513 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246763589 1124547703 /nfs/dbraw/zinc/54/77/03/1124547703.db2.gz OWVAWPORWTXDSX-AFAVFJNCSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246763589 1124547712 /nfs/dbraw/zinc/54/77/12/1124547712.db2.gz OWVAWPORWTXDSX-AFAVFJNCSA-N 1 2 336.838 3.697 20 0 EHADLO COc1cccc([C@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000247040537 1124580484 /nfs/dbraw/zinc/58/04/84/1124580484.db2.gz LRQHDYIAUUEWGH-VQTJNVASSA-N 1 2 327.399 3.895 20 0 EHADLO COc1cccc([C@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)c1 ZINC000247040537 1124580490 /nfs/dbraw/zinc/58/04/90/1124580490.db2.gz LRQHDYIAUUEWGH-VQTJNVASSA-N 1 2 327.399 3.895 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cccc2c1ccn2C(F)F ZINC000617493258 1124614889 /nfs/dbraw/zinc/61/48/89/1124614889.db2.gz OASVQEUBXWEIHV-UHFFFAOYSA-N 1 2 344.365 3.750 20 0 EHADLO C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000617516329 1124620830 /nfs/dbraw/zinc/62/08/30/1124620830.db2.gz VNRVNPLDCKOXGB-SFHVURJKSA-N 1 2 331.847 3.620 20 0 EHADLO C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000617516329 1124620834 /nfs/dbraw/zinc/62/08/34/1124620834.db2.gz VNRVNPLDCKOXGB-SFHVURJKSA-N 1 2 331.847 3.620 20 0 EHADLO CC(C)[C@@H]1N(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC12CCCCCC2 ZINC000827993874 1124679727 /nfs/dbraw/zinc/67/97/27/1124679727.db2.gz LIWQYEBLGVZUKF-WMZOPIPTSA-N 1 2 329.488 3.653 20 0 EHADLO CCCCn1c(SC[C@@H]2CC[C@H](C)O2)nnc1[C@H](CC)[NH+](C)C ZINC000248904249 1124716980 /nfs/dbraw/zinc/71/69/80/1124716980.db2.gz LKPZNDMWLRIZRJ-KKUMJFAQSA-N 1 2 340.537 3.751 20 0 EHADLO CCCCC[N@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C(C)C ZINC000734829757 1131283823 /nfs/dbraw/zinc/28/38/23/1131283823.db2.gz YKMJWMPLKQSLCR-UHFFFAOYSA-N 1 2 327.542 3.919 20 0 EHADLO CCCCC[N@@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C(C)C ZINC000734829757 1131283826 /nfs/dbraw/zinc/28/38/26/1131283826.db2.gz YKMJWMPLKQSLCR-UHFFFAOYSA-N 1 2 327.542 3.919 20 0 EHADLO Cc1cc(NCCNc2ccc(C(F)(F)F)cn2)nc(C2CC2)[nH+]1 ZINC000734835522 1131284328 /nfs/dbraw/zinc/28/43/28/1131284328.db2.gz XLFKHHKHGUBHMW-UHFFFAOYSA-N 1 2 337.349 3.600 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000734837098 1131284367 /nfs/dbraw/zinc/28/43/67/1131284367.db2.gz OHGCCFFTQMFPBE-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO O=C(/C=C/c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069533817 1124855715 /nfs/dbraw/zinc/85/57/15/1124855715.db2.gz GAXSCSDSJZOVHK-MDZDMXLPSA-N 1 2 327.453 3.781 20 0 EHADLO CCc1ncsc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002331 1124885023 /nfs/dbraw/zinc/88/50/23/1124885023.db2.gz ANRLMRBGUGMNNW-LSDHHAIUSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002331 1124885031 /nfs/dbraw/zinc/88/50/31/1124885031.db2.gz ANRLMRBGUGMNNW-LSDHHAIUSA-N 1 2 349.887 3.534 20 0 EHADLO Oc1c(Cl)cccc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000181615194 1124981636 /nfs/dbraw/zinc/98/16/36/1124981636.db2.gz YQBPSKZUXDKZAI-MRXNPFEDSA-N 1 2 334.847 3.955 20 0 EHADLO COCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000092973781 1125174871 /nfs/dbraw/zinc/17/48/71/1125174871.db2.gz TUBQLVOHYUVWKA-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO COCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000092973781 1125174877 /nfs/dbraw/zinc/17/48/77/1125174877.db2.gz TUBQLVOHYUVWKA-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO CC[N@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362519 1125236982 /nfs/dbraw/zinc/23/69/82/1125236982.db2.gz BSYLYONNPRLRHH-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO CC[N@@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362519 1125236987 /nfs/dbraw/zinc/23/69/87/1125236987.db2.gz BSYLYONNPRLRHH-QGZVFWFLSA-N 1 2 341.480 3.648 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000182793932 1125371490 /nfs/dbraw/zinc/37/14/90/1125371490.db2.gz GCSIBPMDKPXLMM-SFHVURJKSA-N 1 2 347.462 3.769 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000182793932 1125371493 /nfs/dbraw/zinc/37/14/93/1125371493.db2.gz GCSIBPMDKPXLMM-SFHVURJKSA-N 1 2 347.462 3.769 20 0 EHADLO C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000619705544 1125385086 /nfs/dbraw/zinc/38/50/86/1125385086.db2.gz BIUGZARBGTXSAZ-CHWSQXEVSA-N 1 2 336.505 3.543 20 0 EHADLO C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000619705544 1125385087 /nfs/dbraw/zinc/38/50/87/1125385087.db2.gz BIUGZARBGTXSAZ-CHWSQXEVSA-N 1 2 336.505 3.543 20 0 EHADLO C[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000152929616 1125400247 /nfs/dbraw/zinc/40/02/47/1125400247.db2.gz MCWDCZGYLMOUSV-SNVBAGLBSA-N 1 2 327.215 3.648 20 0 EHADLO CCc1noc(C[N@H+](Cc2ccc(Br)cc2)C(C)C)n1 ZINC000619888291 1125420061 /nfs/dbraw/zinc/42/00/61/1125420061.db2.gz YHRXFPQUIKSEKX-UHFFFAOYSA-N 1 2 338.249 3.805 20 0 EHADLO CCc1noc(C[N@@H+](Cc2ccc(Br)cc2)C(C)C)n1 ZINC000619888291 1125420063 /nfs/dbraw/zinc/42/00/63/1125420063.db2.gz YHRXFPQUIKSEKX-UHFFFAOYSA-N 1 2 338.249 3.805 20 0 EHADLO C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)CC1 ZINC000619955293 1125435405 /nfs/dbraw/zinc/43/54/05/1125435405.db2.gz ZCNMJUCYNJDQHA-RYKRPPSOSA-N 1 2 343.446 3.965 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000619953112 1125443706 /nfs/dbraw/zinc/44/37/06/1125443706.db2.gz OGHRAXNDRZAALU-CPUCHLNUSA-N 1 2 338.879 3.721 20 0 EHADLO C[N@H+](Cc1ccsc1Cl)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000682993722 1129257371 /nfs/dbraw/zinc/25/73/71/1129257371.db2.gz FSAVTAJXRYJYPZ-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO C[N@@H+](Cc1ccsc1Cl)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000682993722 1129257372 /nfs/dbraw/zinc/25/73/72/1129257372.db2.gz FSAVTAJXRYJYPZ-UHFFFAOYSA-N 1 2 334.872 3.926 20 0 EHADLO CCCCc1nc(CNc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000172886197 1129272249 /nfs/dbraw/zinc/27/22/49/1129272249.db2.gz VHZDIUGFKOSHCI-UHFFFAOYSA-N 1 2 345.512 3.930 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC000115561285 1129274425 /nfs/dbraw/zinc/27/44/25/1129274425.db2.gz URKVQYMQPJIXJY-QFBILLFUSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC000115561285 1129274426 /nfs/dbraw/zinc/27/44/26/1129274426.db2.gz URKVQYMQPJIXJY-QFBILLFUSA-N 1 2 340.492 3.654 20 0 EHADLO O=C(Cc1cccc(Cl)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067819626 1129310794 /nfs/dbraw/zinc/31/07/94/1129310794.db2.gz FKMJLUCZRGGBOF-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO COC(=O)c1ccccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000543206205 1129344784 /nfs/dbraw/zinc/34/47/84/1129344784.db2.gz RFGNNDUXSDNQLO-OXJNMPFZSA-N 1 2 339.435 3.744 20 0 EHADLO COC(=O)c1ccccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000543206205 1129344788 /nfs/dbraw/zinc/34/47/88/1129344788.db2.gz RFGNNDUXSDNQLO-OXJNMPFZSA-N 1 2 339.435 3.744 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000080775358 1129379864 /nfs/dbraw/zinc/37/98/64/1129379864.db2.gz UMJNNWAGOREJIG-RBUKOAKNSA-N 1 2 325.456 3.766 20 0 EHADLO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000117033690 1129411352 /nfs/dbraw/zinc/41/13/52/1129411352.db2.gz FAHCASOTEZCVLU-QGZVFWFLSA-N 1 2 340.471 3.894 20 0 EHADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(O)c1Br)CC2 ZINC000657692786 1129461651 /nfs/dbraw/zinc/46/16/51/1129461651.db2.gz DLNQDLQGLOIRFF-CQSZACIVSA-N 1 2 334.213 3.637 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1nc(Br)c[nH]1 ZINC000922328659 1129470001 /nfs/dbraw/zinc/47/00/01/1129470001.db2.gz KXTFHIKAHOEILK-UHFFFAOYSA-N 1 2 334.221 3.544 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000543482696 1129516548 /nfs/dbraw/zinc/51/65/48/1129516548.db2.gz MZILCERYXOKVQT-DLBZAZTESA-N 1 2 342.418 3.770 20 0 EHADLO Fc1ccc([C@H]2C[C@@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000543482696 1129516550 /nfs/dbraw/zinc/51/65/50/1129516550.db2.gz MZILCERYXOKVQT-DLBZAZTESA-N 1 2 342.418 3.770 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521680 1129561699 /nfs/dbraw/zinc/56/16/99/1129561699.db2.gz MEZASUMNDIYAOU-QMIHWGKISA-N 1 2 345.414 3.662 20 0 EHADLO COc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)ccc1SC ZINC000922527031 1129562549 /nfs/dbraw/zinc/56/25/49/1129562549.db2.gz VVOLLIBFGVLCMA-RDTXWAMCSA-N 1 2 333.428 3.979 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000499968516 1129599568 /nfs/dbraw/zinc/59/95/68/1129599568.db2.gz ZCUJJQWVIIJDHP-HNNXBMFYSA-N 1 2 344.213 3.964 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)sc1C ZINC001168731066 1129604922 /nfs/dbraw/zinc/60/49/22/1129604922.db2.gz QTDDNOQJWGWUHI-HNNXBMFYSA-N 1 2 334.872 3.805 20 0 EHADLO COc1cc(Br)cc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000922674203 1129623546 /nfs/dbraw/zinc/62/35/46/1129623546.db2.gz ZDKGXXLQODQECE-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073751868 1129672208 /nfs/dbraw/zinc/67/22/08/1129672208.db2.gz PAXJGUYBHXDFOZ-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265891081 1129675107 /nfs/dbraw/zinc/67/51/07/1129675107.db2.gz RDZKREWPFDAUAC-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265891081 1129675109 /nfs/dbraw/zinc/67/51/09/1129675109.db2.gz RDZKREWPFDAUAC-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@H]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001782 1129684667 /nfs/dbraw/zinc/68/46/67/1129684667.db2.gz WYCJLKCSZAFGMH-GOEBONIOSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@H]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000429001782 1129684671 /nfs/dbraw/zinc/68/46/71/1129684671.db2.gz WYCJLKCSZAFGMH-GOEBONIOSA-N 1 2 349.906 3.528 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)OC[C@@H]3[C@@H](c4ccccc4)C3(F)F)ccn12 ZINC000922846284 1129688798 /nfs/dbraw/zinc/68/87/98/1129688798.db2.gz BATMLFKXMJAFBE-NVXWUHKLSA-N 1 2 342.345 3.848 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H]1C ZINC000347764011 1129702462 /nfs/dbraw/zinc/70/24/62/1129702462.db2.gz PKILVTKLEUGDCB-IJEWVQPXSA-N 1 2 344.434 3.635 20 0 EHADLO Cc1csc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)n1 ZINC000429022657 1129706911 /nfs/dbraw/zinc/70/69/11/1129706911.db2.gz CGNAQTOBESXBDZ-GFCCVEGCSA-N 1 2 339.867 3.955 20 0 EHADLO Cc1csc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)n1 ZINC000429022657 1129706914 /nfs/dbraw/zinc/70/69/14/1129706914.db2.gz CGNAQTOBESXBDZ-GFCCVEGCSA-N 1 2 339.867 3.955 20 0 EHADLO COc1cncc(C[NH+](Cc2cccs2)Cc2cccs2)n1 ZINC000625043936 1129713724 /nfs/dbraw/zinc/71/37/24/1129713724.db2.gz NAKIHCHRXMXWTO-UHFFFAOYSA-N 1 2 331.466 3.811 20 0 EHADLO CCc1cccc2c(C3CC[NH+](Cc4nncs4)CC3)c[nH]c21 ZINC000929323548 1129735035 /nfs/dbraw/zinc/73/50/35/1129735035.db2.gz QEBUBGKBDNGKFX-UHFFFAOYSA-N 1 2 326.469 3.961 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673648996 1129755089 /nfs/dbraw/zinc/75/50/89/1129755089.db2.gz DBPWYLARYQKCGL-UHFFFAOYSA-N 1 2 342.405 3.786 20 0 EHADLO Cc1ccc(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000625206888 1129762279 /nfs/dbraw/zinc/76/22/79/1129762279.db2.gz YGZDBXOZZFWXES-UHFFFAOYSA-N 1 2 331.847 3.710 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282422742 1129777114 /nfs/dbraw/zinc/77/71/14/1129777114.db2.gz RHCGWTITYPTKDS-IRXDYDNUSA-N 1 2 346.377 3.610 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282422742 1129777118 /nfs/dbraw/zinc/77/71/18/1129777118.db2.gz RHCGWTITYPTKDS-IRXDYDNUSA-N 1 2 346.377 3.610 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625269988 1129793647 /nfs/dbraw/zinc/79/36/47/1129793647.db2.gz WKLRXBUCKNOUFR-CYBMUJFWSA-N 1 2 325.522 3.730 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625269988 1129793650 /nfs/dbraw/zinc/79/36/50/1129793650.db2.gz WKLRXBUCKNOUFR-CYBMUJFWSA-N 1 2 325.522 3.730 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2cccc(F)c2)CC1)NCc1cccs1 ZINC000673712431 1129807702 /nfs/dbraw/zinc/80/77/02/1129807702.db2.gz ZPNACECHQFCOHI-UHFFFAOYSA-N 1 2 344.455 3.683 20 0 EHADLO CC[C@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673726240 1129812770 /nfs/dbraw/zinc/81/27/70/1129812770.db2.gz UCBYWBWKHHBWRG-QGZVFWFLSA-N 1 2 335.451 3.885 20 0 EHADLO Cc1ccc([C@@H](C)CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000162212751 1129815140 /nfs/dbraw/zinc/81/51/40/1129815140.db2.gz DEOCSQSUONTWQJ-KRWDZBQOSA-N 1 2 340.471 3.685 20 0 EHADLO CO[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625313345 1129821841 /nfs/dbraw/zinc/82/18/41/1129821841.db2.gz PLKORFJVQJVZQR-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625313345 1129821847 /nfs/dbraw/zinc/82/18/47/1129821847.db2.gz PLKORFJVQJVZQR-NSHDSACASA-N 1 2 334.204 3.728 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccncc2Br)C1 ZINC000625323709 1129831726 /nfs/dbraw/zinc/83/17/26/1129831726.db2.gz IZLZAWDGXYMRMO-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccncc2Br)C1 ZINC000625323709 1129831729 /nfs/dbraw/zinc/83/17/29/1129831729.db2.gz IZLZAWDGXYMRMO-WBMJQRKESA-N 1 2 332.245 3.822 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C(F)F)c3)[nH+]c12 ZINC000673761308 1129835717 /nfs/dbraw/zinc/83/57/17/1129835717.db2.gz XSRMYWLKXUCLMR-UHFFFAOYSA-N 1 2 344.365 3.945 20 0 EHADLO O=C(c1ncccc1Oc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282441866 1129839623 /nfs/dbraw/zinc/83/96/23/1129839623.db2.gz NYDVRGKHNPONSS-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429125738 1129842027 /nfs/dbraw/zinc/84/20/27/1129842027.db2.gz ZZDSSMGDHPZDGC-QWHCGFSZSA-N 1 2 346.377 3.575 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429125738 1129842033 /nfs/dbraw/zinc/84/20/33/1129842033.db2.gz ZZDSSMGDHPZDGC-QWHCGFSZSA-N 1 2 346.377 3.575 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381655 1129851346 /nfs/dbraw/zinc/85/13/46/1129851346.db2.gz HNFKOTXETDOFBA-NOZJJQNGSA-N 1 2 328.309 3.762 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381655 1129851349 /nfs/dbraw/zinc/85/13/49/1129851349.db2.gz HNFKOTXETDOFBA-NOZJJQNGSA-N 1 2 328.309 3.762 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000132773105 1129917059 /nfs/dbraw/zinc/91/70/59/1129917059.db2.gz BRNPDQSNKNPZRJ-INIZCTEOSA-N 1 2 343.826 3.586 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000132773105 1129917061 /nfs/dbraw/zinc/91/70/61/1129917061.db2.gz BRNPDQSNKNPZRJ-INIZCTEOSA-N 1 2 343.826 3.586 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000163313078 1129928839 /nfs/dbraw/zinc/92/88/39/1129928839.db2.gz AVVLJPREMFHJMJ-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000163313078 1129928841 /nfs/dbraw/zinc/92/88/41/1129928841.db2.gz AVVLJPREMFHJMJ-OAHLLOKOSA-N 1 2 345.516 3.729 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008671 1129955765 /nfs/dbraw/zinc/95/57/65/1129955765.db2.gz AUZPJFNNNINVAT-HNAYVOBHSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008671 1129955768 /nfs/dbraw/zinc/95/57/68/1129955768.db2.gz AUZPJFNNNINVAT-HNAYVOBHSA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010962 1129958811 /nfs/dbraw/zinc/95/88/11/1129958811.db2.gz CFHQNWQFXZBMJK-SCLBCKFNSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010962 1129958813 /nfs/dbraw/zinc/95/88/13/1129958813.db2.gz CFHQNWQFXZBMJK-SCLBCKFNSA-N 1 2 346.833 3.931 20 0 EHADLO Cn1c[nH+]cc1CNC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000543558201 1129969929 /nfs/dbraw/zinc/96/99/29/1129969929.db2.gz CNOUBWAVFVFENE-UHFFFAOYSA-N 1 2 343.475 3.800 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000625682087 1129977151 /nfs/dbraw/zinc/97/71/51/1129977151.db2.gz GFUQJBITXOAVEY-GASCZTMLSA-N 1 2 338.789 3.683 20 0 EHADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000625682087 1129977153 /nfs/dbraw/zinc/97/71/53/1129977153.db2.gz GFUQJBITXOAVEY-GASCZTMLSA-N 1 2 338.789 3.683 20 0 EHADLO CCCC[N@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1ccc(C)o1 ZINC000674052107 1129986707 /nfs/dbraw/zinc/98/67/07/1129986707.db2.gz KHEBBCCLLNAECG-AWEZNQCLSA-N 1 2 349.500 3.696 20 0 EHADLO CCCC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1ccc(C)o1 ZINC000674052107 1129986709 /nfs/dbraw/zinc/98/67/09/1129986709.db2.gz KHEBBCCLLNAECG-AWEZNQCLSA-N 1 2 349.500 3.696 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)nc2ccccc21 ZINC000736196762 1131412306 /nfs/dbraw/zinc/41/23/06/1131412306.db2.gz YBVCQTFPZFCWTN-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO CCC(CC)N(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000674167756 1130021643 /nfs/dbraw/zinc/02/16/43/1130021643.db2.gz YJSKHBURSHHHJQ-UHFFFAOYSA-N 1 2 328.460 3.548 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000171435549 1130058307 /nfs/dbraw/zinc/05/83/07/1130058307.db2.gz BSWGHTHKBQRHJW-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(-c2ccccc2)[nH]1 ZINC000171807516 1130089608 /nfs/dbraw/zinc/08/96/08/1130089608.db2.gz ZLDVWWLVAGHBEB-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO OCCCC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000701003721 1130089758 /nfs/dbraw/zinc/08/97/58/1130089758.db2.gz QRFSUPJZZGBYGT-UHFFFAOYSA-N 1 2 348.231 3.712 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172078291 1130104327 /nfs/dbraw/zinc/10/43/27/1130104327.db2.gz KCIQLYUCSCUIDM-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO CC[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1cccc(C)c1 ZINC000674569052 1130134536 /nfs/dbraw/zinc/13/45/36/1130134536.db2.gz RDLILBOIOMZNMG-INIZCTEOSA-N 1 2 338.411 3.622 20 0 EHADLO C[C@H](N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1(C)CC1 ZINC000674637321 1130153858 /nfs/dbraw/zinc/15/38/58/1130153858.db2.gz YUGQPYSSVCRNLK-RDJZCZTQSA-N 1 2 340.471 3.534 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000674878523 1130214801 /nfs/dbraw/zinc/21/48/01/1130214801.db2.gz HTTIRMDCLQYVIB-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000674878523 1130214806 /nfs/dbraw/zinc/21/48/06/1130214806.db2.gz HTTIRMDCLQYVIB-UHFFFAOYSA-N 1 2 336.888 3.882 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)[C@H](c2ccccc2)CO1 ZINC000766080763 1130216867 /nfs/dbraw/zinc/21/68/67/1130216867.db2.gz IXRPAFJUISMVIS-DYVFJYSZSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)[C@H](c2ccccc2)CO1 ZINC000766080763 1130216873 /nfs/dbraw/zinc/21/68/73/1130216873.db2.gz IXRPAFJUISMVIS-DYVFJYSZSA-N 1 2 325.437 3.653 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000766086879 1130236511 /nfs/dbraw/zinc/23/65/11/1130236511.db2.gz DMDLDCMZWULJRZ-GFCCVEGCSA-N 1 2 346.406 3.732 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000766086879 1130236514 /nfs/dbraw/zinc/23/65/14/1130236514.db2.gz DMDLDCMZWULJRZ-GFCCVEGCSA-N 1 2 346.406 3.732 20 0 EHADLO Cc1cc(C)cc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1 ZINC000766089195 1130244398 /nfs/dbraw/zinc/24/43/98/1130244398.db2.gz CKWNZEJWYXCWHM-CYBMUJFWSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1cc(C)cc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@@H](C)C3)c1 ZINC000766089195 1130244407 /nfs/dbraw/zinc/24/44/07/1130244407.db2.gz CKWNZEJWYXCWHM-CYBMUJFWSA-N 1 2 330.497 3.741 20 0 EHADLO CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000675114920 1130257527 /nfs/dbraw/zinc/25/75/27/1130257527.db2.gz MSGWKBZDKFIVMQ-UHFFFAOYSA-N 1 2 331.419 3.869 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000766107555 1130323729 /nfs/dbraw/zinc/32/37/29/1130323729.db2.gz UIXLJDFLROHQLU-UHFFFAOYSA-N 1 2 331.243 3.554 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001137610146 1130352882 /nfs/dbraw/zinc/35/28/82/1130352882.db2.gz DMAKVPQIRNXEJJ-LLVKDONJSA-N 1 2 331.243 3.554 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001137610146 1130352886 /nfs/dbraw/zinc/35/28/86/1130352886.db2.gz DMAKVPQIRNXEJJ-LLVKDONJSA-N 1 2 331.243 3.554 20 0 EHADLO CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H]1c1ccccc1 ZINC000675584495 1130429163 /nfs/dbraw/zinc/42/91/63/1130429163.db2.gz VCLPCSDIXNNPNR-SFHVURJKSA-N 1 2 334.423 3.627 20 0 EHADLO CCCN(Cc1ccccc1F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675584319 1130429371 /nfs/dbraw/zinc/42/93/71/1130429371.db2.gz GHNPVLZIMGELIR-UHFFFAOYSA-N 1 2 340.402 3.595 20 0 EHADLO CCC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676135489 1130534617 /nfs/dbraw/zinc/53/46/17/1130534617.db2.gz FXTSGJIUAHVGHN-QGTPRVQTSA-N 1 2 326.444 3.600 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000676330861 1130565659 /nfs/dbraw/zinc/56/56/59/1130565659.db2.gz VSBRTIXUSWLLPN-AWEZNQCLSA-N 1 2 333.476 3.628 20 0 EHADLO CCc1ccc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)cc1 ZINC000728040637 1130620053 /nfs/dbraw/zinc/62/00/53/1130620053.db2.gz FPKGEZVBIAHYMO-AWEZNQCLSA-N 1 2 330.497 3.687 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)cc1 ZINC000728040637 1130620056 /nfs/dbraw/zinc/62/00/56/1130620056.db2.gz FPKGEZVBIAHYMO-AWEZNQCLSA-N 1 2 330.497 3.687 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000729985404 1130662447 /nfs/dbraw/zinc/66/24/47/1130662447.db2.gz GOQSINQKEVSTCI-CYBMUJFWSA-N 1 2 345.830 3.717 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000729981819 1130662757 /nfs/dbraw/zinc/66/27/57/1130662757.db2.gz MXZRKMDAJCHVMW-CYBMUJFWSA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000729981819 1130662759 /nfs/dbraw/zinc/66/27/59/1130662759.db2.gz MXZRKMDAJCHVMW-CYBMUJFWSA-N 1 2 347.509 3.799 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1csc2ccccc21 ZINC000730024573 1130664770 /nfs/dbraw/zinc/66/47/70/1130664770.db2.gz NYAOMARUCGKNOQ-QWHCGFSZSA-N 1 2 328.441 3.547 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000730063744 1130668708 /nfs/dbraw/zinc/66/87/08/1130668708.db2.gz SQNCWXWSYXYWSN-ZDUSSCGKSA-N 1 2 328.441 3.548 20 0 EHADLO O=C(CCCn1cc[nH+]c1)OCc1cnc(-c2ccccc2)s1 ZINC000730185138 1130685420 /nfs/dbraw/zinc/68/54/20/1130685420.db2.gz MTNBYHAIKGGZIV-UHFFFAOYSA-N 1 2 327.409 3.530 20 0 EHADLO Cc1c(Cl)cccc1-n1ccn(C[N@@H+](C)[C@H]2CCOC2)c1=S ZINC000730259752 1130692560 /nfs/dbraw/zinc/69/25/60/1130692560.db2.gz VYXLSLLCLOXMNR-ZDUSSCGKSA-N 1 2 337.876 3.648 20 0 EHADLO Cc1c(Cl)cccc1-n1ccn(C[N@H+](C)[C@H]2CCOC2)c1=S ZINC000730259752 1130692564 /nfs/dbraw/zinc/69/25/64/1130692564.db2.gz VYXLSLLCLOXMNR-ZDUSSCGKSA-N 1 2 337.876 3.648 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1csc(Br)c1 ZINC000731028959 1130759871 /nfs/dbraw/zinc/75/98/71/1130759871.db2.gz LDCBRCDAEAGWHL-UHFFFAOYSA-N 1 2 331.260 3.813 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660780 1130825747 /nfs/dbraw/zinc/82/57/47/1130825747.db2.gz UMERORMKVAAWIK-DYESRHJHSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660780 1130825752 /nfs/dbraw/zinc/82/57/52/1130825752.db2.gz UMERORMKVAAWIK-DYESRHJHSA-N 1 2 333.435 3.970 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732180666 1130893694 /nfs/dbraw/zinc/89/36/94/1130893694.db2.gz DAAVFTNUUPXHEJ-OAHLLOKOSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732180666 1130893699 /nfs/dbraw/zinc/89/36/99/1130893699.db2.gz DAAVFTNUUPXHEJ-OAHLLOKOSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](c3ccco3)C2)c(=S)n1-c1ccccc1 ZINC000732182576 1130894695 /nfs/dbraw/zinc/89/46/95/1130894695.db2.gz UNMIBRVJJLCUKH-HNNXBMFYSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](c3ccco3)C2)c(=S)n1-c1ccccc1 ZINC000732182576 1130894698 /nfs/dbraw/zinc/89/46/98/1130894698.db2.gz UNMIBRVJJLCUKH-HNNXBMFYSA-N 1 2 340.452 3.752 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000732184270 1130894758 /nfs/dbraw/zinc/89/47/58/1130894758.db2.gz YQAVBQBTMAUTHC-CYBMUJFWSA-N 1 2 335.473 3.740 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000732184270 1130894765 /nfs/dbraw/zinc/89/47/65/1130894765.db2.gz YQAVBQBTMAUTHC-CYBMUJFWSA-N 1 2 335.473 3.740 20 0 EHADLO C[N@H+](C[C@@H]1CC1(Cl)Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410969 1130925405 /nfs/dbraw/zinc/92/54/05/1130925405.db2.gz OZPALZUASVMFGB-GXFFZTMASA-N 1 2 347.673 3.571 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410969 1130925410 /nfs/dbraw/zinc/92/54/10/1130925410.db2.gz OZPALZUASVMFGB-GXFFZTMASA-N 1 2 347.673 3.571 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC000733197637 1131004540 /nfs/dbraw/zinc/00/45/40/1131004540.db2.gz QDHUBZYTNVLUCI-AWEZNQCLSA-N 1 2 345.464 3.841 20 0 EHADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC000733197637 1131004545 /nfs/dbraw/zinc/00/45/45/1131004545.db2.gz QDHUBZYTNVLUCI-AWEZNQCLSA-N 1 2 345.464 3.841 20 0 EHADLO COc1ccc(C2([NH2+]Cc3ncc(C(C)C)o3)CCOCC2)cc1 ZINC000733310901 1131020929 /nfs/dbraw/zinc/02/09/29/1131020929.db2.gz XVOASCODOWVZME-UHFFFAOYSA-N 1 2 330.428 3.602 20 0 EHADLO C[C@H](CCC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000348016949 1131120478 /nfs/dbraw/zinc/12/04/78/1131120478.db2.gz NRSLSHLBBRDLKU-QGZVFWFLSA-N 1 2 346.515 3.597 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000348037508 1131133717 /nfs/dbraw/zinc/13/37/17/1131133717.db2.gz KDBPIRKHZXIYCS-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000626093219 1131153580 /nfs/dbraw/zinc/15/35/80/1131153580.db2.gz UXTKSPLVVDDQRE-ACJLOTCBSA-N 1 2 338.455 3.689 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000626094433 1131154333 /nfs/dbraw/zinc/15/43/33/1131154333.db2.gz ZLZBJXGPHSZMQG-PWSUYJOCSA-N 1 2 343.374 3.687 20 0 EHADLO C[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000626094434 1131154348 /nfs/dbraw/zinc/15/43/48/1131154348.db2.gz ZLZBJXGPHSZMQG-ZYHUDNBSSA-N 1 2 343.374 3.687 20 0 EHADLO CCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000144318675 1131162598 /nfs/dbraw/zinc/16/25/98/1131162598.db2.gz PQMPNPHDSHXKPI-UHFFFAOYSA-N 1 2 329.400 3.565 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2s1 ZINC000734113837 1131198144 /nfs/dbraw/zinc/19/81/44/1131198144.db2.gz JHMJTTAYGYAISB-CYBMUJFWSA-N 1 2 348.431 3.973 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059314 1131462375 /nfs/dbraw/zinc/46/23/75/1131462375.db2.gz XKPIHBVLMSMHKZ-DNVCBOLYSA-N 1 2 343.446 3.908 20 0 EHADLO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000738059314 1131462377 /nfs/dbraw/zinc/46/23/77/1131462377.db2.gz XKPIHBVLMSMHKZ-DNVCBOLYSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccco3)n(C)c2=S)CC1 ZINC000738240394 1131465883 /nfs/dbraw/zinc/46/58/83/1131465883.db2.gz OTVOMBNGDXIECU-CQSZACIVSA-N 1 2 334.489 3.927 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccco3)n(C)c2=S)CC1 ZINC000738240394 1131465886 /nfs/dbraw/zinc/46/58/86/1131465886.db2.gz OTVOMBNGDXIECU-CQSZACIVSA-N 1 2 334.489 3.927 20 0 EHADLO O=c1sc2c(n1C[N@@H+]1CCS[C@H](c3ccccc3)C1)CCCC2 ZINC000738246752 1131466500 /nfs/dbraw/zinc/46/65/00/1131466500.db2.gz VNCPKDCPDHAYJL-KRWDZBQOSA-N 1 2 346.521 3.536 20 0 EHADLO O=c1sc2c(n1C[N@H+]1CCS[C@H](c3ccccc3)C1)CCCC2 ZINC000738246752 1131466502 /nfs/dbraw/zinc/46/65/02/1131466502.db2.gz VNCPKDCPDHAYJL-KRWDZBQOSA-N 1 2 346.521 3.536 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2C[C@@H](C(C)C)CC2=O)cc1 ZINC000738244214 1131466839 /nfs/dbraw/zinc/46/68/39/1131466839.db2.gz GJBPBJIJATYIPI-ZWKOTPCHSA-N 1 2 332.513 3.547 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2C[C@@H](C(C)C)CC2=O)cc1 ZINC000738244214 1131466841 /nfs/dbraw/zinc/46/68/41/1131466841.db2.gz GJBPBJIJATYIPI-ZWKOTPCHSA-N 1 2 332.513 3.547 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)cc1 ZINC000740860476 1131549487 /nfs/dbraw/zinc/54/94/87/1131549487.db2.gz FFSHPLJSBMVIDD-UONOGXRCSA-N 1 2 333.457 3.781 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3C[C@@H](C)C[C@H]3C)c(=S)o2)cc1 ZINC000740860476 1131549492 /nfs/dbraw/zinc/54/94/92/1131549492.db2.gz FFSHPLJSBMVIDD-UONOGXRCSA-N 1 2 333.457 3.781 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943489 1131559228 /nfs/dbraw/zinc/55/92/28/1131559228.db2.gz VXSXAZDQNRZUDA-QWHCGFSZSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943489 1131559232 /nfs/dbraw/zinc/55/92/32/1131559232.db2.gz VXSXAZDQNRZUDA-QWHCGFSZSA-N 1 2 330.378 3.911 20 0 EHADLO Cn1cc(-c2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)cn1 ZINC000741530353 1131615004 /nfs/dbraw/zinc/61/50/04/1131615004.db2.gz NIIBKLJVPIZGPM-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO CC[C@@H](C)NC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877545 1131663549 /nfs/dbraw/zinc/66/35/49/1131663549.db2.gz XGGHRFPJISLVAY-KGLIPLIRSA-N 1 2 339.936 3.692 20 0 EHADLO CCC/C(C)=C/C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000741982480 1131678284 /nfs/dbraw/zinc/67/82/84/1131678284.db2.gz SYZCKEMJADPYEY-FOCLMDBBSA-N 1 2 329.488 3.584 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCSc2ccccc21 ZINC000742056861 1131683719 /nfs/dbraw/zinc/68/37/19/1131683719.db2.gz ZPFHQQYXWFTKDK-RDJZCZTQSA-N 1 2 343.496 3.694 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144873 1131690433 /nfs/dbraw/zinc/69/04/33/1131690433.db2.gz IPJOJEXHBQFLFE-SNVBAGLBSA-N 1 2 326.416 3.820 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144873 1131690436 /nfs/dbraw/zinc/69/04/36/1131690436.db2.gz IPJOJEXHBQFLFE-SNVBAGLBSA-N 1 2 326.416 3.820 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CCC3CCOCC3)c2)[nH+]c1C ZINC000742579434 1131753392 /nfs/dbraw/zinc/75/33/92/1131753392.db2.gz YJGLTDPLPCCSRW-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO COC(=O)[C@H]1CCC[N@@H+]1[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570209 1131776681 /nfs/dbraw/zinc/77/66/81/1131776681.db2.gz ICRCLUGICILIIF-MEBBXXQBSA-N 1 2 331.790 3.577 20 0 EHADLO COC(=O)[C@H]1CCC[N@H+]1[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570209 1131776686 /nfs/dbraw/zinc/77/66/86/1131776686.db2.gz ICRCLUGICILIIF-MEBBXXQBSA-N 1 2 331.790 3.577 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc4c(Cl)nccc34)cc2)C1 ZINC001212670357 1131780099 /nfs/dbraw/zinc/78/00/99/1131780099.db2.gz UGDMOEXGIKLIHX-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CC(C)COc1ccc(F)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672841 1131790885 /nfs/dbraw/zinc/79/08/85/1131790885.db2.gz YYQAUHMAXIGUIQ-UHFFFAOYSA-N 1 2 344.430 3.781 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc4nc(Cl)ccc43)cc2)C1 ZINC001212672855 1131791060 /nfs/dbraw/zinc/79/10/60/1131791060.db2.gz ZRKNAZAASCKMPN-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)C1CC1 ZINC000742942991 1131816612 /nfs/dbraw/zinc/81/66/12/1131816612.db2.gz VBFVHUHCVBJWPF-INIZCTEOSA-N 1 2 329.488 3.583 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172718454 1131819468 /nfs/dbraw/zinc/81/94/68/1131819468.db2.gz LGAWPOBWKDQBHT-CYBMUJFWSA-N 1 2 341.764 3.538 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172718454 1131819477 /nfs/dbraw/zinc/81/94/77/1131819477.db2.gz LGAWPOBWKDQBHT-CYBMUJFWSA-N 1 2 341.764 3.538 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1CCc3ccc(C)cc3C1)[C@@H]2C ZINC001172834076 1131856867 /nfs/dbraw/zinc/85/68/67/1131856867.db2.gz RVNCNDFQUNSPKL-VQIMIIECSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1CCc3ccc(C)cc3C1)[C@@H]2C ZINC001172834076 1131856874 /nfs/dbraw/zinc/85/68/74/1131856874.db2.gz RVNCNDFQUNSPKL-VQIMIIECSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1CCc3ccc(C)cc3C1)[C@H]2C ZINC001172834074 1131857597 /nfs/dbraw/zinc/85/75/97/1131857597.db2.gz RVNCNDFQUNSPKL-QFBILLFUSA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1CCc3ccc(C)cc3C1)[C@H]2C ZINC001172834074 1131857604 /nfs/dbraw/zinc/85/76/04/1131857604.db2.gz RVNCNDFQUNSPKL-QFBILLFUSA-N 1 2 339.483 3.662 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001172873512 1131890688 /nfs/dbraw/zinc/89/06/88/1131890688.db2.gz UGGPGCLVHFTMHC-ACJLOTCBSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001172873512 1131890694 /nfs/dbraw/zinc/89/06/94/1131890694.db2.gz UGGPGCLVHFTMHC-ACJLOTCBSA-N 1 2 334.822 3.879 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CC[C@@H](c3ccccc3)C1)c2=O ZINC000743357257 1131900569 /nfs/dbraw/zinc/90/05/69/1131900569.db2.gz ROJZIAZUQRXQJL-MRXNPFEDSA-N 1 2 339.464 3.522 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CC[C@@H](c3ccccc3)C1)c2=O ZINC000743357257 1131900572 /nfs/dbraw/zinc/90/05/72/1131900572.db2.gz ROJZIAZUQRXQJL-MRXNPFEDSA-N 1 2 339.464 3.522 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3nc(CCc4ccccc4)oc3=S)C[C@@H]21 ZINC000743371157 1131904342 /nfs/dbraw/zinc/90/43/42/1131904342.db2.gz SUUVRHNPMVOPSB-GASCZTMLSA-N 1 2 329.469 3.536 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3nc(CCc4ccccc4)oc3=S)C[C@@H]21 ZINC000743371157 1131904350 /nfs/dbraw/zinc/90/43/50/1131904350.db2.gz SUUVRHNPMVOPSB-GASCZTMLSA-N 1 2 329.469 3.536 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000743348732 1131906357 /nfs/dbraw/zinc/90/63/57/1131906357.db2.gz GJPTZPUEGMUATD-KSSFIOAISA-N 1 2 328.843 3.949 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000743348732 1131906364 /nfs/dbraw/zinc/90/63/64/1131906364.db2.gz GJPTZPUEGMUATD-KSSFIOAISA-N 1 2 328.843 3.949 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000743350986 1131907373 /nfs/dbraw/zinc/90/73/73/1131907373.db2.gz FRSKDTZUNWMSGV-CYBMUJFWSA-N 1 2 328.378 3.743 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000743350986 1131907376 /nfs/dbraw/zinc/90/73/76/1131907376.db2.gz FRSKDTZUNWMSGV-CYBMUJFWSA-N 1 2 328.378 3.743 20 0 EHADLO COC(=O)c1nc(Cl)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695248 1131926202 /nfs/dbraw/zinc/92/62/02/1131926202.db2.gz VOZYGBBHEQSWHE-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO COC(=O)c1c(F)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212698646 1131936921 /nfs/dbraw/zinc/93/69/21/1131936921.db2.gz ZLHIGTLAJULNMI-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181021102 1131941042 /nfs/dbraw/zinc/94/10/42/1131941042.db2.gz VCUDSBZWSBMUGJ-LZVXQISVSA-N 1 2 336.842 3.607 20 0 EHADLO CCOCc1cnc2n1CC[N@H+](C1CCC3(CCOCC3)CC1)[C@H]2C ZINC001173046442 1131941644 /nfs/dbraw/zinc/94/16/44/1131941644.db2.gz WGNMKBGJQVUMID-INIZCTEOSA-N 1 2 347.503 3.536 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+](C1CCC3(CCOCC3)CC1)[C@H]2C ZINC001173046442 1131941649 /nfs/dbraw/zinc/94/16/49/1131941649.db2.gz WGNMKBGJQVUMID-INIZCTEOSA-N 1 2 347.503 3.536 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000743564929 1131941801 /nfs/dbraw/zinc/94/18/01/1131941801.db2.gz MHNBJPBKQQYISS-JKSUJKDBSA-N 1 2 326.444 3.592 20 0 EHADLO C[C@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001173069317 1131954425 /nfs/dbraw/zinc/95/44/25/1131954425.db2.gz IVSQSSZNDJSLRF-JKSUJKDBSA-N 1 2 346.471 3.538 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000743873153 1131998621 /nfs/dbraw/zinc/99/86/21/1131998621.db2.gz LJKOIINEHVFBQE-NIKGAXFTSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000743873153 1131998628 /nfs/dbraw/zinc/99/86/28/1131998628.db2.gz LJKOIINEHVFBQE-NIKGAXFTSA-N 1 2 331.843 3.835 20 0 EHADLO CCCC[C@@H](CC(C)C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC(C)(C)C ZINC001173251042 1132018682 /nfs/dbraw/zinc/01/86/82/1132018682.db2.gz YGVUJZGISBEENM-HOTGVXAUSA-N 1 2 343.508 3.844 20 0 EHADLO CCc1ccc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001173239959 1132028241 /nfs/dbraw/zinc/02/82/41/1132028241.db2.gz VSYCVRYPPWLUAS-OXJNMPFZSA-N 1 2 325.452 3.554 20 0 EHADLO Cc1cc(Cl)nc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001212743276 1132094414 /nfs/dbraw/zinc/09/44/14/1132094414.db2.gz SJXONQAPAGLXQW-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO CCC[C@H]([NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1)C(=O)OC(C)(C)C ZINC001173712517 1132132633 /nfs/dbraw/zinc/13/26/33/1132132633.db2.gz AFBFDJKISQVDOO-PBHICJAKSA-N 1 2 349.471 3.504 20 0 EHADLO c1nn(CC[NH+]2CCOCC2)cc1Nc1ccc(-c2ccccc2)cc1 ZINC001173809365 1132152098 /nfs/dbraw/zinc/15/20/98/1132152098.db2.gz CLMDVSRQTCPIJJ-UHFFFAOYSA-N 1 2 348.450 3.626 20 0 EHADLO COc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1F ZINC001173970822 1132182494 /nfs/dbraw/zinc/18/24/94/1132182494.db2.gz DBLYFIJMZQZPEP-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Ic1ccc2[nH+]ccc(Nc3ccoc3)c2c1 ZINC001173934163 1132189237 /nfs/dbraw/zinc/18/92/37/1132189237.db2.gz MHPFYKFVQMQEPK-UHFFFAOYSA-N 1 2 336.132 3.598 20 0 EHADLO Cc1c(Cl)c(COC(=O)[C@H]2CCCC[N@H+]2C)nc2ccccc12 ZINC000745078475 1132195689 /nfs/dbraw/zinc/19/56/89/1132195689.db2.gz FTXLENXCWPWZBH-MRXNPFEDSA-N 1 2 332.831 3.724 20 0 EHADLO Cc1c(Cl)c(COC(=O)[C@H]2CCCC[N@@H+]2C)nc2ccccc12 ZINC000745078475 1132195692 /nfs/dbraw/zinc/19/56/92/1132195692.db2.gz FTXLENXCWPWZBH-MRXNPFEDSA-N 1 2 332.831 3.724 20 0 EHADLO Cc1ccc(F)c(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c1 ZINC001174110360 1132230282 /nfs/dbraw/zinc/23/02/82/1132230282.db2.gz AFACNMFYMYQSGX-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO COc1cncc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001174089186 1132242191 /nfs/dbraw/zinc/24/21/91/1132242191.db2.gz QMMGWKQBBULITQ-UHFFFAOYSA-N 1 2 330.185 3.566 20 0 EHADLO O=C(c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1)N1CCCC1 ZINC001174170831 1132266907 /nfs/dbraw/zinc/26/69/07/1132266907.db2.gz BTBYTJFGPCFRLD-UHFFFAOYSA-N 1 2 346.434 3.911 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC001174286786 1132297969 /nfs/dbraw/zinc/29/79/69/1132297969.db2.gz HALDBHBLEBNJIJ-UHFFFAOYSA-N 1 2 347.484 3.944 20 0 EHADLO Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1F ZINC001174432071 1132353070 /nfs/dbraw/zinc/35/30/70/1132353070.db2.gz JJRCDUDOBVGPIB-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COc1ccc(Cn2cc(Nc3cccc(-n4cc[nH+]c4)c3)cn2)cc1 ZINC001174437162 1132354955 /nfs/dbraw/zinc/35/49/55/1132354955.db2.gz IGDIMAJYYQOQKE-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO O=C(NCc1cccnc1)c1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174414011 1132367009 /nfs/dbraw/zinc/36/70/09/1132367009.db2.gz SRAIAVGAUUIFBV-UHFFFAOYSA-N 1 2 343.390 3.583 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3cc(-c4ccccc4)on3)cc2[nH+]1 ZINC000746108700 1132374728 /nfs/dbraw/zinc/37/47/28/1132374728.db2.gz DVJKCNXKACPKND-UHFFFAOYSA-N 1 2 332.363 3.708 20 0 EHADLO Cc1ccc2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2n1 ZINC000746141765 1132382616 /nfs/dbraw/zinc/38/26/16/1132382616.db2.gz IGLISHBYLJJAIC-SFHVURJKSA-N 1 2 336.439 3.584 20 0 EHADLO Fc1cccc(OC2COC2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525295 1132382842 /nfs/dbraw/zinc/38/28/42/1132382842.db2.gz UKKPJPWZOQLKRY-UHFFFAOYSA-N 1 2 343.402 3.732 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)n(C2CCOCC2)n1 ZINC001174522476 1132398777 /nfs/dbraw/zinc/39/87/77/1132398777.db2.gz NLBLICWXKAQNGN-UHFFFAOYSA-N 1 2 341.459 3.672 20 0 EHADLO Brc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccn1 ZINC001174523445 1132399867 /nfs/dbraw/zinc/39/98/67/1132399867.db2.gz NZKKHWLSOWSEEY-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO O=C1N=NC(=O)c2c(Nc3ccc(N4CCCCC4)[nH+]c3)cccc21 ZINC001174524043 1132401248 /nfs/dbraw/zinc/40/12/48/1132401248.db2.gz BBMNUZVUTIOULV-UHFFFAOYSA-N 1 2 335.367 3.562 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C ZINC001174524845 1132401834 /nfs/dbraw/zinc/40/18/34/1132401834.db2.gz RMZKHGXFHCBLFY-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cnc(C3CC3)nc2)cc[nH+]1 ZINC001174610795 1132429678 /nfs/dbraw/zinc/42/96/78/1132429678.db2.gz IEBGYNRYJSFWKB-UHFFFAOYSA-N 1 2 327.388 3.840 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000188737905 1132437757 /nfs/dbraw/zinc/43/77/57/1132437757.db2.gz GAQFBRZPRPZWIF-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000188737905 1132437765 /nfs/dbraw/zinc/43/77/65/1132437765.db2.gz GAQFBRZPRPZWIF-UHFFFAOYSA-N 1 2 333.819 3.956 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000189026291 1132441826 /nfs/dbraw/zinc/44/18/26/1132441826.db2.gz JVOZTGVZEGBGLJ-SNVBAGLBSA-N 1 2 326.227 3.869 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000189026291 1132441827 /nfs/dbraw/zinc/44/18/27/1132441827.db2.gz JVOZTGVZEGBGLJ-SNVBAGLBSA-N 1 2 326.227 3.869 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000189165604 1132442528 /nfs/dbraw/zinc/44/25/28/1132442528.db2.gz OAGWMZBYQITVPO-HXUWFJFHSA-N 1 2 333.435 3.833 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000189165604 1132442536 /nfs/dbraw/zinc/44/25/36/1132442536.db2.gz OAGWMZBYQITVPO-HXUWFJFHSA-N 1 2 333.435 3.833 20 0 EHADLO CCCCn1cc(C[NH2+]Cc2occc2Br)c(C)n1 ZINC000773407738 1132477233 /nfs/dbraw/zinc/47/72/33/1132477233.db2.gz BNPDNIGRGDIUPU-UHFFFAOYSA-N 1 2 326.238 3.637 20 0 EHADLO Cc1c(Nc2ccc(N3CCOCC3)[nH+]c2)cccc1C(F)(F)F ZINC001174977612 1132511509 /nfs/dbraw/zinc/51/15/09/1132511509.db2.gz WNGRJHCEGLDGNX-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO c1ccc(Cc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)nc1 ZINC001174978312 1132517199 /nfs/dbraw/zinc/51/71/99/1132517199.db2.gz VKVAVVAPFQNLGZ-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CSc2ccccc21 ZINC000766410468 1132533234 /nfs/dbraw/zinc/53/32/34/1132533234.db2.gz YUTMZCKIKBYSBO-CYBMUJFWSA-N 1 2 325.441 3.840 20 0 EHADLO c1cc2c3c(ccc(Nc4ccc(N5CCOCC5)[nH+]c4)c3c1)CC2 ZINC001174979275 1132533416 /nfs/dbraw/zinc/53/34/16/1132533416.db2.gz JLGXCZBCKHKKAN-UHFFFAOYSA-N 1 2 331.419 3.914 20 0 EHADLO Clc1cc2cnccc2c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174979520 1132533697 /nfs/dbraw/zinc/53/36/97/1132533697.db2.gz NRGIQFBDCFULEA-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO c1ccc(-c2cccnc2)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174980601 1132534543 /nfs/dbraw/zinc/53/45/43/1132534543.db2.gz WOOXVZOPEHZPSB-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO c1c(CCNc2ccc(OCc3ccccc3)cn2)[nH+]c2ccccn12 ZINC001169002177 1132629156 /nfs/dbraw/zinc/62/91/56/1132629156.db2.gz JIWARGARRMCSPM-UHFFFAOYSA-N 1 2 344.418 3.963 20 0 EHADLO CN1C(=O)CC(C)(C)c2cc(NCCc3cn4ccccc4[nH+]3)ccc21 ZINC001169009621 1132631220 /nfs/dbraw/zinc/63/12/20/1132631220.db2.gz UJFUGKNBOIRIEF-UHFFFAOYSA-N 1 2 348.450 3.633 20 0 EHADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000062286814 1132637283 /nfs/dbraw/zinc/63/72/83/1132637283.db2.gz PMPMXJHSFCHTKP-JTQLQIEISA-N 1 2 327.306 3.500 20 0 EHADLO CCOC(=O)c1ccc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175353082 1132647432 /nfs/dbraw/zinc/64/74/32/1132647432.db2.gz YPBRQNUPVISASX-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001175602183 1132709201 /nfs/dbraw/zinc/70/92/01/1132709201.db2.gz HURGYBORTUOOLF-UHFFFAOYSA-N 1 2 337.810 3.946 20 0 EHADLO Cc1ccc(N[C@@H](C2CCC2)C(F)(F)F)c(C[NH+]2CCOCC2)c1 ZINC001169287778 1132717347 /nfs/dbraw/zinc/71/73/47/1132717347.db2.gz NQLUFJSTZDNWPT-KRWDZBQOSA-N 1 2 342.405 3.970 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715425 1132741865 /nfs/dbraw/zinc/74/18/65/1132741865.db2.gz LVKGYLFWJBSCAH-UHFFFAOYSA-N 1 2 325.290 3.637 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404901 1132741871 /nfs/dbraw/zinc/74/18/71/1132741871.db2.gz QPQMGHSJBPXDDC-ABAIWWIYSA-N 1 2 346.254 3.536 20 0 EHADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2Cl)CO1 ZINC001169404901 1132741878 /nfs/dbraw/zinc/74/18/78/1132741878.db2.gz QPQMGHSJBPXDDC-ABAIWWIYSA-N 1 2 346.254 3.536 20 0 EHADLO COC(=O)c1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1C ZINC001175717366 1132742553 /nfs/dbraw/zinc/74/25/53/1132742553.db2.gz IOLXBHMSKTVAIJ-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO CNc1[nH+]cnc2c1cnn2Cc1cccc(SC(F)(F)F)c1 ZINC000766709619 1132759460 /nfs/dbraw/zinc/75/94/60/1132759460.db2.gz JGBVUCIGEGFUAT-UHFFFAOYSA-N 1 2 339.346 3.528 20 0 EHADLO CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC001169494627 1132770512 /nfs/dbraw/zinc/77/05/12/1132770512.db2.gz MYALKVGACPLAQQ-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)[C@H]1C ZINC001169494627 1132770517 /nfs/dbraw/zinc/77/05/17/1132770517.db2.gz MYALKVGACPLAQQ-RYUDHWBXSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H](CNc1[nH+]cccc1CC(=O)OC(C)(C)C)c1ccc(O)cc1 ZINC001169534453 1132780733 /nfs/dbraw/zinc/78/07/33/1132780733.db2.gz GOTQYTAYSRSYEI-CQSZACIVSA-N 1 2 342.439 3.887 20 0 EHADLO Fc1cccc(Cl)c1CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC001175869395 1132788747 /nfs/dbraw/zinc/78/87/47/1132788747.db2.gz BYDQZYVKUGXEHB-CYBMUJFWSA-N 1 2 325.733 3.675 20 0 EHADLO Fc1cccc(Cl)c1CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC001175869395 1132788753 /nfs/dbraw/zinc/78/87/53/1132788753.db2.gz BYDQZYVKUGXEHB-CYBMUJFWSA-N 1 2 325.733 3.675 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc2oc3ccccc3c2c1)[C@H]1CCSC1 ZINC000766759223 1132792580 /nfs/dbraw/zinc/79/25/80/1132792580.db2.gz KOHSTLAEPVQDGH-ZDUSSCGKSA-N 1 2 341.432 3.929 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc2oc3ccccc3c2c1)[C@H]1CCSC1 ZINC000766759223 1132792586 /nfs/dbraw/zinc/79/25/86/1132792586.db2.gz KOHSTLAEPVQDGH-ZDUSSCGKSA-N 1 2 341.432 3.929 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001175934455 1132801011 /nfs/dbraw/zinc/80/10/11/1132801011.db2.gz BSXVKYLWJCKXLJ-CQSZACIVSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001175934455 1132801018 /nfs/dbraw/zinc/80/10/18/1132801018.db2.gz BSXVKYLWJCKXLJ-CQSZACIVSA-N 1 2 334.769 3.861 20 0 EHADLO CCN(C)c1ccc(Nc2cc(C(=O)N(CC)CC)ccc2F)c[nH+]1 ZINC001176071417 1132828937 /nfs/dbraw/zinc/82/89/37/1132828937.db2.gz ZVOSNMCWFIQWKW-UHFFFAOYSA-N 1 2 344.434 3.902 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2nnc(-c3ccccc3F)n2c1 ZINC001176121752 1132853893 /nfs/dbraw/zinc/85/38/93/1132853893.db2.gz NZJAXAZQKPYCBX-UHFFFAOYSA-N 1 2 335.342 3.683 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(C(=O)NCC(C)C)ccc1Cl ZINC001176123528 1132853904 /nfs/dbraw/zinc/85/39/04/1132853904.db2.gz BBQUHLFQIUXZPH-UHFFFAOYSA-N 1 2 333.819 3.873 20 0 EHADLO COc1ccc2cc(NCc3cccnc3N3CCCC3)[nH+]cc2c1 ZINC001169857495 1132877258 /nfs/dbraw/zinc/87/72/58/1132877258.db2.gz QVXOMJFSEMXQBM-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cccc4nsnc43)CCCCCC2)no1 ZINC000766860281 1132885701 /nfs/dbraw/zinc/88/57/01/1132885701.db2.gz JKHIHTBNPRJLBE-UHFFFAOYSA-N 1 2 343.456 3.722 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](C)[C@H]3C)c2cc1C(C)C ZINC000766968600 1132925017 /nfs/dbraw/zinc/92/50/17/1132925017.db2.gz JKHLVSJSKMPSBL-CABCVRRESA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](C)[C@H]3C)c2cc1C(C)C ZINC000766968600 1132925022 /nfs/dbraw/zinc/92/50/22/1132925022.db2.gz JKHLVSJSKMPSBL-CABCVRRESA-N 1 2 329.440 3.834 20 0 EHADLO CC(C)Oc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)c(F)cn1 ZINC001176482858 1132943785 /nfs/dbraw/zinc/94/37/85/1132943785.db2.gz JGPRTSVOQRKMAL-UHFFFAOYSA-N 1 2 326.375 3.996 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001176832090 1133003712 /nfs/dbraw/zinc/00/37/12/1133003712.db2.gz HPMJHFNEYYGGIS-HNNXBMFYSA-N 1 2 337.345 3.725 20 0 EHADLO CC(C)(C)c1ccc(Br)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001176833170 1133004944 /nfs/dbraw/zinc/00/49/44/1133004944.db2.gz COUGIVHXMODIAC-UHFFFAOYSA-N 1 2 336.233 3.651 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001176872230 1133006974 /nfs/dbraw/zinc/00/69/74/1133006974.db2.gz UQYOHUNUTVIKJT-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001176872230 1133006980 /nfs/dbraw/zinc/00/69/80/1133006980.db2.gz UQYOHUNUTVIKJT-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO CC1(C)C[NH+](Cn2ncn(CC(F)(F)F)c2=S)CC(C)(C)C1 ZINC000767516653 1133011288 /nfs/dbraw/zinc/01/12/88/1133011288.db2.gz VYWVFHZYCYJACU-UHFFFAOYSA-N 1 2 336.427 3.692 20 0 EHADLO O=C(Nc1ccc(C(=O)C2CC2)cc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966696 1133017851 /nfs/dbraw/zinc/01/78/51/1133017851.db2.gz CCBXSCBEZHSFSE-KRWDZBQOSA-N 1 2 349.434 3.529 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001177040079 1133025293 /nfs/dbraw/zinc/02/52/93/1133025293.db2.gz JRICQVVGYKHQJL-WCIQWLHISA-N 1 2 344.474 3.857 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001169971689 1133039826 /nfs/dbraw/zinc/03/98/26/1133039826.db2.gz VXWKXDGQUSMBCT-GFCCVEGCSA-N 1 2 344.308 3.876 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001169971689 1133039833 /nfs/dbraw/zinc/03/98/33/1133039833.db2.gz VXWKXDGQUSMBCT-GFCCVEGCSA-N 1 2 344.308 3.876 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+](C)CCOC(C)(C)C)c2=S)cc1 ZINC000767772940 1133051309 /nfs/dbraw/zinc/05/13/09/1133051309.db2.gz SWGSJCWCKIBOCH-UHFFFAOYSA-N 1 2 349.500 3.721 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+](C)CCOC(C)(C)C)c2=S)cc1 ZINC000767772940 1133051316 /nfs/dbraw/zinc/05/13/16/1133051316.db2.gz SWGSJCWCKIBOCH-UHFFFAOYSA-N 1 2 349.500 3.721 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000767777238 1133051956 /nfs/dbraw/zinc/05/19/56/1133051956.db2.gz YWCYHKMTLGPXLF-HOCLYGCPSA-N 1 2 348.541 3.808 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000767777238 1133051964 /nfs/dbraw/zinc/05/19/64/1133051964.db2.gz YWCYHKMTLGPXLF-HOCLYGCPSA-N 1 2 348.541 3.808 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC001177283164 1133052493 /nfs/dbraw/zinc/05/24/93/1133052493.db2.gz TXERSPDGYODVFG-NSHDSACASA-N 1 2 337.876 3.615 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)c2cccc[nH+]2)cc1 ZINC001177417304 1133063256 /nfs/dbraw/zinc/06/32/56/1133063256.db2.gz NQLZIAYYHRUEEB-MRXNPFEDSA-N 1 2 325.456 3.594 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667712 1133064972 /nfs/dbraw/zinc/06/49/72/1133064972.db2.gz UUDZTGVKLYALMJ-PBHICJAKSA-N 1 2 347.890 3.519 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667712 1133064976 /nfs/dbraw/zinc/06/49/76/1133064976.db2.gz UUDZTGVKLYALMJ-PBHICJAKSA-N 1 2 347.890 3.519 20 0 EHADLO Clc1ccc(C2=CC[N@H+](Cc3nc(-c4ccoc4)no3)CC2)cn1 ZINC000773669764 1133069360 /nfs/dbraw/zinc/06/93/60/1133069360.db2.gz MVQZDJRODGDWSB-UHFFFAOYSA-N 1 2 342.786 3.667 20 0 EHADLO Clc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccoc4)no3)CC2)cn1 ZINC000773669764 1133069365 /nfs/dbraw/zinc/06/93/65/1133069365.db2.gz MVQZDJRODGDWSB-UHFFFAOYSA-N 1 2 342.786 3.667 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767938711 1133073119 /nfs/dbraw/zinc/07/31/19/1133073119.db2.gz OAWILTDSFSBSNY-APWZRJJASA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2nc3ccccc3s2)c(C)c[nH+]1 ZINC000767948613 1133074158 /nfs/dbraw/zinc/07/41/58/1133074158.db2.gz BUBFPHNFTJZUPG-LBPRGKRZSA-N 1 2 326.425 3.613 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1ccc(Br)n1 ZINC000767974345 1133076166 /nfs/dbraw/zinc/07/61/66/1133076166.db2.gz NOKBRIUXWAAQPA-YPMHNXCESA-N 1 2 338.224 3.620 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1ccc(Br)n1 ZINC000767974345 1133076168 /nfs/dbraw/zinc/07/61/68/1133076168.db2.gz NOKBRIUXWAAQPA-YPMHNXCESA-N 1 2 338.224 3.620 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@H]1c1cccs1 ZINC001177540285 1133078595 /nfs/dbraw/zinc/07/85/95/1133078595.db2.gz PAYFFXNEALXMCM-IAGOWNOFSA-N 1 2 337.448 3.696 20 0 EHADLO CCSc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768148142 1133097893 /nfs/dbraw/zinc/09/78/93/1133097893.db2.gz OOHANDWBWUWURN-AWEZNQCLSA-N 1 2 329.469 3.552 20 0 EHADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cncc2ccccc21 ZINC000768170685 1133105488 /nfs/dbraw/zinc/10/54/88/1133105488.db2.gz UDOZZTXXTNUUIZ-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cncc2ccccc21 ZINC000768170685 1133105490 /nfs/dbraw/zinc/10/54/90/1133105490.db2.gz UDOZZTXXTNUUIZ-UHFFFAOYSA-N 1 2 339.826 3.959 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3coc(C4CC4)n3)CC2)cc1 ZINC000768184078 1133109377 /nfs/dbraw/zinc/10/93/77/1133109377.db2.gz FDGROOISFBJICK-UHFFFAOYSA-N 1 2 331.847 3.523 20 0 EHADLO Clc1cccc(C[NH+]2CCN(Cc3coc(C4CC4)n3)CC2)c1 ZINC000768194999 1133111681 /nfs/dbraw/zinc/11/16/81/1133111681.db2.gz INLVCGBWNWPWDB-UHFFFAOYSA-N 1 2 331.847 3.523 20 0 EHADLO COc1cc(CNc2ccc(N(C)C)c[nH+]2)cc(C(F)(F)F)c1 ZINC001178059133 1133128574 /nfs/dbraw/zinc/12/85/74/1133128574.db2.gz AYSDXGDSUJGISZ-UHFFFAOYSA-N 1 2 325.334 3.787 20 0 EHADLO Cc1ccc2c(/C=C/C(=O)NCc3c[nH+]cn3C3CCC3)c[nH]c2c1 ZINC001178495821 1133169384 /nfs/dbraw/zinc/16/93/84/1133169384.db2.gz KLSHPTALESRLHX-SOFGYWHQSA-N 1 2 334.423 3.727 20 0 EHADLO CCc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 ZINC001178615195 1133186645 /nfs/dbraw/zinc/18/66/45/1133186645.db2.gz SWSJLNUEKRRIGL-ZIAGYGMSSA-N 1 2 331.485 3.931 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@@H](C)c2ccncc2)n1 ZINC000768971502 1133208317 /nfs/dbraw/zinc/20/83/17/1133208317.db2.gz HSTACJHVIQYQAU-CYBMUJFWSA-N 1 2 332.473 3.512 20 0 EHADLO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)o1 ZINC001179021445 1133218420 /nfs/dbraw/zinc/21/84/20/1133218420.db2.gz YIQXAFQEPZDONF-UHFFFAOYSA-N 1 2 330.609 3.994 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000769063779 1133224715 /nfs/dbraw/zinc/22/47/15/1133224715.db2.gz TWPBWLAVELEJJA-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000769063779 1133224721 /nfs/dbraw/zinc/22/47/21/1133224721.db2.gz TWPBWLAVELEJJA-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3c[nH]c(C(C)C)[nH+]3)c(Cl)c2c1 ZINC001179088103 1133226763 /nfs/dbraw/zinc/22/67/63/1133226763.db2.gz MSTCCDOMCOKFOU-UHFFFAOYSA-N 1 2 330.819 3.906 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3c[nH+]c(C(C)C)[nH]3)c(Cl)c2c1 ZINC001179088103 1133226767 /nfs/dbraw/zinc/22/67/67/1133226767.db2.gz MSTCCDOMCOKFOU-UHFFFAOYSA-N 1 2 330.819 3.906 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2ncsc2Nc2ccccc2)[nH+]1 ZINC001179092744 1133228926 /nfs/dbraw/zinc/22/89/26/1133228926.db2.gz YTUUSBDLFYPHAH-UHFFFAOYSA-N 1 2 341.440 3.663 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2ncsc2Nc2ccccc2)c[nH+]1 ZINC001179092744 1133228930 /nfs/dbraw/zinc/22/89/30/1133228930.db2.gz YTUUSBDLFYPHAH-UHFFFAOYSA-N 1 2 341.440 3.663 20 0 EHADLO Fc1ncc(Br)cc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC001206376565 1133243077 /nfs/dbraw/zinc/24/30/77/1133243077.db2.gz JIAGKJUSTXUEKD-HIFRSBDPSA-N 1 2 339.183 3.710 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c(C)o1 ZINC000769232239 1133246564 /nfs/dbraw/zinc/24/65/64/1133246564.db2.gz JCWNCTKENJEMFZ-LJQANCHMSA-N 1 2 327.403 3.990 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c(C)o1 ZINC000769232239 1133246570 /nfs/dbraw/zinc/24/65/70/1133246570.db2.gz JCWNCTKENJEMFZ-LJQANCHMSA-N 1 2 327.403 3.990 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1C ZINC001179489820 1133254992 /nfs/dbraw/zinc/25/49/92/1133254992.db2.gz WLBNKUJJCVOMGO-UHFFFAOYSA-N 1 2 325.412 3.612 20 0 EHADLO COc1cccc2[nH]c(NCc3cn(-c4ccc(C)cc4)nc3C)[nH+]c21 ZINC001179497920 1133256727 /nfs/dbraw/zinc/25/67/27/1133256727.db2.gz QBPCRGLDNGFHLY-UHFFFAOYSA-N 1 2 347.422 3.986 20 0 EHADLO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC001180034950 1133319775 /nfs/dbraw/zinc/31/97/75/1133319775.db2.gz NTBSLWCTPAIOAS-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO CCC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC001180082557 1133327267 /nfs/dbraw/zinc/32/72/67/1133327267.db2.gz SATDYNAXVMVCMM-BYIUCRAPSA-N 1 2 340.389 3.709 20 0 EHADLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC001180082557 1133327271 /nfs/dbraw/zinc/32/72/71/1133327271.db2.gz SATDYNAXVMVCMM-BYIUCRAPSA-N 1 2 340.389 3.709 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180185489 1133337490 /nfs/dbraw/zinc/33/74/90/1133337490.db2.gz YNADWWQPIMLGMM-SFHVURJKSA-N 1 2 329.371 3.755 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180185489 1133337495 /nfs/dbraw/zinc/33/74/95/1133337495.db2.gz YNADWWQPIMLGMM-SFHVURJKSA-N 1 2 329.371 3.755 20 0 EHADLO CCCc1c(NCc2ccc[nH+]c2N)cnn1-c1cccc(F)c1 ZINC001180318065 1133355706 /nfs/dbraw/zinc/35/57/06/1133355706.db2.gz VPZFNJSLRDLHKC-UHFFFAOYSA-N 1 2 325.391 3.553 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C(F)(F)F)o1 ZINC000770006961 1133376869 /nfs/dbraw/zinc/37/68/69/1133376869.db2.gz IKOUABMJFXXENC-UHFFFAOYSA-N 1 2 327.306 3.629 20 0 EHADLO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770059535 1133377956 /nfs/dbraw/zinc/37/79/56/1133377956.db2.gz XVAMWBPTJIAWJT-UHFFFAOYSA-N 1 2 348.328 3.671 20 0 EHADLO O=C(Nc1nc(-c2cccs2)cs1)c1cccc2[nH+]ccn21 ZINC000770055909 1133383513 /nfs/dbraw/zinc/38/35/13/1133383513.db2.gz VIZLFFFWUWYJLZ-UHFFFAOYSA-N 1 2 326.406 3.772 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ncc(-c3cccc(F)c3)s2)c[nH+]1 ZINC001180659891 1133403804 /nfs/dbraw/zinc/40/38/04/1133403804.db2.gz VCQKKVBUTVRAGK-UHFFFAOYSA-N 1 2 344.415 3.828 20 0 EHADLO COC(=O)CCC[N@H+](Cc1coc(C2CC2)n1)Cc1ccccc1 ZINC000770353317 1133420198 /nfs/dbraw/zinc/42/01/98/1133420198.db2.gz ZPLQCDBQHUOSLS-UHFFFAOYSA-N 1 2 328.412 3.507 20 0 EHADLO COC(=O)CCC[N@@H+](Cc1coc(C2CC2)n1)Cc1ccccc1 ZINC000770353317 1133420200 /nfs/dbraw/zinc/42/02/00/1133420200.db2.gz ZPLQCDBQHUOSLS-UHFFFAOYSA-N 1 2 328.412 3.507 20 0 EHADLO O=C(NCCc1cc(Cl)cc(Cl)c1)c1cccc2[nH+]ccn21 ZINC000770418239 1133426777 /nfs/dbraw/zinc/42/67/77/1133426777.db2.gz HJQAJWCATNMYQC-UHFFFAOYSA-N 1 2 334.206 3.614 20 0 EHADLO CCCCn1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000770496875 1133434115 /nfs/dbraw/zinc/43/41/15/1133434115.db2.gz VZGYCDIYBBTVRH-UHFFFAOYSA-N 1 2 338.411 3.534 20 0 EHADLO Cc1cc(Br)cc2c(C(=O)OCCn3cc[nH+]c3)coc21 ZINC000770610885 1133453765 /nfs/dbraw/zinc/45/37/65/1133453765.db2.gz IWIOMTAIYNZXPE-UHFFFAOYSA-N 1 2 349.184 3.557 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2cccc(O)c2F)C1 ZINC001181386446 1133482309 /nfs/dbraw/zinc/48/23/09/1133482309.db2.gz LAONIPSQWPBFLC-CYBMUJFWSA-N 1 2 345.418 3.503 20 0 EHADLO C[C@@H]1CN(c2ccc(NC[C@@H]3C[C@@H]3c3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC001181348668 1133483500 /nfs/dbraw/zinc/48/35/00/1133483500.db2.gz HWCQWASQAAMEGY-ZTRFORPCSA-N 1 2 337.467 3.911 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001181350092 1133483509 /nfs/dbraw/zinc/48/35/09/1133483509.db2.gz PXJFDEBJSLVODK-PMPSAXMXSA-N 1 2 343.446 3.877 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922224 1133484643 /nfs/dbraw/zinc/48/46/43/1133484643.db2.gz YZMFOEXFTLGIJR-AWEZNQCLSA-N 1 2 326.421 3.806 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccc[nH]c1=O ZINC001206449498 1133484824 /nfs/dbraw/zinc/48/48/24/1133484824.db2.gz RUVOKJBABNQSSG-UHFFFAOYSA-N 1 2 333.189 3.558 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)OCc2cccc3[nH+]ccn32)s1 ZINC000770925728 1133485501 /nfs/dbraw/zinc/48/55/01/1133485501.db2.gz OBYYKRHSISANAD-UHFFFAOYSA-N 1 2 329.425 3.655 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)OCc2cccc3[nH+]ccn32)ccc1Cl ZINC000770926692 1133485757 /nfs/dbraw/zinc/48/57/57/1133485757.db2.gz QTUOYJOPBWKVOK-CYBMUJFWSA-N 1 2 344.798 3.807 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCC)o1 ZINC001181497745 1133494230 /nfs/dbraw/zinc/49/42/30/1133494230.db2.gz NDNCTEULGYSMBS-UHFFFAOYSA-N 1 2 337.803 3.798 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC001181685614 1133508187 /nfs/dbraw/zinc/50/81/87/1133508187.db2.gz AIOJAOJOAPQMEB-UHFFFAOYSA-N 1 2 330.771 3.581 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC001181685614 1133508192 /nfs/dbraw/zinc/50/81/92/1133508192.db2.gz AIOJAOJOAPQMEB-UHFFFAOYSA-N 1 2 330.771 3.581 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCc3cnc(SC)nc3C2)cc1 ZINC001204308545 1133527816 /nfs/dbraw/zinc/52/78/16/1133527816.db2.gz XVLTVNIJFOPSMG-UHFFFAOYSA-N 1 2 329.469 3.546 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCc3cnc(SC)nc3C2)cc1 ZINC001204308545 1133527822 /nfs/dbraw/zinc/52/78/22/1133527822.db2.gz XVLTVNIJFOPSMG-UHFFFAOYSA-N 1 2 329.469 3.546 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2C(C)(C)C)c1C ZINC000771317457 1133538917 /nfs/dbraw/zinc/53/89/17/1133538917.db2.gz RKZDIBDOFXUDLA-UHFFFAOYSA-N 1 2 326.440 3.935 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1CC1(CC)CC ZINC001181881583 1133546391 /nfs/dbraw/zinc/54/63/91/1133546391.db2.gz NMRHNMISWGGENL-CYBMUJFWSA-N 1 2 342.443 3.603 20 0 EHADLO CCn1c(NC(=O)c2cccc3[nH+]ccn32)nc2cc(Cl)ccc21 ZINC000771402374 1133553093 /nfs/dbraw/zinc/55/30/93/1133553093.db2.gz DSTVVCQRFWFTOC-UHFFFAOYSA-N 1 2 339.786 3.610 20 0 EHADLO CS/C=C/C(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000771624011 1133578623 /nfs/dbraw/zinc/57/86/23/1133578623.db2.gz ZJQJQORXRUQTQZ-OUKQBFOZSA-N 1 2 339.460 3.880 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006721 1133584053 /nfs/dbraw/zinc/58/40/53/1133584053.db2.gz ILYXSRCYEYPTJE-VBNZEHGJSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006721 1133584058 /nfs/dbraw/zinc/58/40/58/1133584058.db2.gz ILYXSRCYEYPTJE-VBNZEHGJSA-N 1 2 338.854 3.777 20 0 EHADLO Cc1c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)ncn1C ZINC001182235828 1133595170 /nfs/dbraw/zinc/59/51/70/1133595170.db2.gz HLMZFCHUCUYVSB-LJQANCHMSA-N 1 2 348.450 3.540 20 0 EHADLO Cc1c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)ncn1C ZINC001182235828 1133595172 /nfs/dbraw/zinc/59/51/72/1133595172.db2.gz HLMZFCHUCUYVSB-LJQANCHMSA-N 1 2 348.450 3.540 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N(C)C1CC(F)(F)C1)c1ccccc1Cl ZINC001182219597 1133599124 /nfs/dbraw/zinc/59/91/24/1133599124.db2.gz WNSNACCWTLELFY-OAHLLOKOSA-N 1 2 344.833 3.979 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)NCOc1ccccc1)c1ccccc1Cl ZINC001182224137 1133599325 /nfs/dbraw/zinc/59/93/25/1133599325.db2.gz NYJRXECUWMJHOS-SFHVURJKSA-N 1 2 346.858 3.876 20 0 EHADLO CN1C(=O)CCc2cc(CNc3[nH+]c4ccccc4n3C3CC3)ccc21 ZINC000774092747 1133607668 /nfs/dbraw/zinc/60/76/68/1133607668.db2.gz CJMLPFOTTXSBPR-UHFFFAOYSA-N 1 2 346.434 3.892 20 0 EHADLO COc1ccccc1/C=C(\C(=O)OCCn1cc[nH+]c1)c1ccccc1 ZINC000771859358 1133608089 /nfs/dbraw/zinc/60/80/89/1133608089.db2.gz RTKPUKDARHSPEL-CYVLTUHYSA-N 1 2 348.402 3.676 20 0 EHADLO Cn1c[nH+]cc1COC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000774122609 1133614590 /nfs/dbraw/zinc/61/45/90/1133614590.db2.gz LVSSCQLNSORYJU-UHFFFAOYSA-N 1 2 339.222 3.892 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000771950209 1133618950 /nfs/dbraw/zinc/61/89/50/1133618950.db2.gz JBVVFUNIBAAMNB-VXGBXAGGSA-N 1 2 325.195 3.537 20 0 EHADLO CC(C)COc1ccc(C2(C(=O)OCCn3cc[nH+]c3)CCC2)cc1 ZINC000771957278 1133620628 /nfs/dbraw/zinc/62/06/28/1133620628.db2.gz GQRKSJBLMVWXIQ-UHFFFAOYSA-N 1 2 342.439 3.583 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cn1c(=O)sc2c1CCCC2 ZINC000785513468 1133715901 /nfs/dbraw/zinc/71/59/01/1133715901.db2.gz MPPZOOCOOHRVJH-UHFFFAOYSA-N 1 2 341.480 3.750 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cn1c(=O)sc2c1CCCC2 ZINC000785513468 1133715907 /nfs/dbraw/zinc/71/59/07/1133715907.db2.gz MPPZOOCOOHRVJH-UHFFFAOYSA-N 1 2 341.480 3.750 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(F)cc1F ZINC000785593506 1133724178 /nfs/dbraw/zinc/72/41/78/1133724178.db2.gz ZZABNWPHPQPXJQ-UHFFFAOYSA-N 1 2 332.281 3.647 20 0 EHADLO CC1(C)CCC[C@@H]1CC[NH2+]Cc1ncc(Br)cc1O ZINC001183012030 1133758040 /nfs/dbraw/zinc/75/80/40/1133758040.db2.gz NWBKMZSWHLIUCG-LLVKDONJSA-N 1 2 327.266 3.856 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cccc2[nH+]ccn21 ZINC000785876713 1133761535 /nfs/dbraw/zinc/76/15/35/1133761535.db2.gz JOOFKNUAMFJFSW-UHFFFAOYSA-N 1 2 348.337 3.913 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)cc3c(C)ccnc23)c1C ZINC000786027065 1133787886 /nfs/dbraw/zinc/78/78/86/1133787886.db2.gz HEYXRBXJOKXWDE-UHFFFAOYSA-N 1 2 349.434 3.802 20 0 EHADLO C[C@@]1([NH3+])CCCN(Cc2cc(Cl)c(O)c(Br)c2)CC1 ZINC001205281201 1133849126 /nfs/dbraw/zinc/84/91/26/1133849126.db2.gz RCSOVHNGBDBFEW-CQSZACIVSA-N 1 2 347.684 3.511 20 0 EHADLO CCC[C@H](C[N@@H+]1CCc2ccc(Br)c(F)c2C1)OC ZINC001183876207 1133868025 /nfs/dbraw/zinc/86/80/25/1133868025.db2.gz JJCZPRVFUZSIPB-GFCCVEGCSA-N 1 2 330.241 3.761 20 0 EHADLO CCC[C@H](C[N@H+]1CCc2ccc(Br)c(F)c2C1)OC ZINC001183876207 1133868027 /nfs/dbraw/zinc/86/80/27/1133868027.db2.gz JJCZPRVFUZSIPB-GFCCVEGCSA-N 1 2 330.241 3.761 20 0 EHADLO Cc1c(C)c(C)c(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001184421581 1133938868 /nfs/dbraw/zinc/93/88/68/1133938868.db2.gz FZSQVHOYUOYWTI-SFHVURJKSA-N 1 2 339.483 3.901 20 0 EHADLO CCn1c(NCc2ccc(/C=C\C(=O)OC)o2)[nH+]c2cc(F)ccc21 ZINC001184462743 1133943923 /nfs/dbraw/zinc/94/39/23/1133943923.db2.gz OOEKCGNYWOYCFT-CLFYSBASSA-N 1 2 343.358 3.587 20 0 EHADLO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1Cl ZINC000746660152 1133965939 /nfs/dbraw/zinc/96/59/39/1133965939.db2.gz UCKOFBXDBBIMJJ-UHFFFAOYSA-N 1 2 345.842 3.659 20 0 EHADLO COCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1Cl ZINC000746660152 1133965945 /nfs/dbraw/zinc/96/59/45/1133965945.db2.gz UCKOFBXDBBIMJJ-UHFFFAOYSA-N 1 2 345.842 3.659 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000746665201 1133981370 /nfs/dbraw/zinc/98/13/70/1133981370.db2.gz AEHAFJMGFYXSHW-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000746665201 1133981374 /nfs/dbraw/zinc/98/13/74/1133981374.db2.gz AEHAFJMGFYXSHW-OALUTQOASA-N 1 2 349.833 3.894 20 0 EHADLO COC(=O)c1cc(Cl)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184965154 1134008369 /nfs/dbraw/zinc/00/83/69/1134008369.db2.gz SNZSKQULEMXZRK-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO C[C@@H]1C[N@H+](CCSc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000787487844 1134013123 /nfs/dbraw/zinc/01/31/23/1134013123.db2.gz AAZGKIIFWBSIQW-GFCCVEGCSA-N 1 2 338.473 3.762 20 0 EHADLO C[C@@H]1C[N@@H+](CCSc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000787487844 1134013131 /nfs/dbraw/zinc/01/31/31/1134013131.db2.gz AAZGKIIFWBSIQW-GFCCVEGCSA-N 1 2 338.473 3.762 20 0 EHADLO Nc1cc(COC(=O)C2c3ccccc3Oc3ccccc32)cc[nH+]1 ZINC000787579694 1134018641 /nfs/dbraw/zinc/01/86/41/1134018641.db2.gz YMWGVXVEKMENGR-UHFFFAOYSA-N 1 2 332.359 3.645 20 0 EHADLO COC(=O)c1cc(C)c(C)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185044644 1134024901 /nfs/dbraw/zinc/02/49/01/1134024901.db2.gz YDUQYTABAZXQKG-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000788179141 1134087181 /nfs/dbraw/zinc/08/71/81/1134087181.db2.gz KGYVGAYTVXTGOM-UHFFFAOYSA-N 1 2 345.446 3.919 20 0 EHADLO COc1cccc(O[C@H](C)CNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC001185497954 1134099216 /nfs/dbraw/zinc/09/92/16/1134099216.db2.gz NEBDOEZARUDTIM-CQSZACIVSA-N 1 2 327.428 3.941 20 0 EHADLO COc1cccc(O[C@@H](C)CNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC001185497953 1134099249 /nfs/dbraw/zinc/09/92/49/1134099249.db2.gz NEBDOEZARUDTIM-AWEZNQCLSA-N 1 2 327.428 3.941 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3)C2)n[nH]1 ZINC000774912407 1134119530 /nfs/dbraw/zinc/11/95/30/1134119530.db2.gz NLQUSQPPQMWWQF-AWEZNQCLSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3)C2)n[nH]1 ZINC000774912407 1134119532 /nfs/dbraw/zinc/11/95/32/1134119532.db2.gz NLQUSQPPQMWWQF-AWEZNQCLSA-N 1 2 349.276 3.564 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([N@H+](C)Cc3cccc(C)n3)C2=O)c(C)c1 ZINC000789348433 1134253875 /nfs/dbraw/zinc/25/38/75/1134253875.db2.gz VCTSKBCHUIZEGU-IBGZPJMESA-N 1 2 337.467 3.553 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([N@@H+](C)Cc3cccc(C)n3)C2=O)c(C)c1 ZINC000789348433 1134253880 /nfs/dbraw/zinc/25/38/80/1134253880.db2.gz VCTSKBCHUIZEGU-IBGZPJMESA-N 1 2 337.467 3.553 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C1CC(Oc2ccccc2)C1 ZINC001186870349 1134264305 /nfs/dbraw/zinc/26/43/05/1134264305.db2.gz WKKIDYBZZNUHKP-UHFFFAOYSA-N 1 2 347.418 3.728 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCC1CCCCC1 ZINC001186872854 1134265027 /nfs/dbraw/zinc/26/50/27/1134265027.db2.gz VAHWUICWNNGYEH-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO Cc1nc2sc3c(c2c(NCC(C)(C)n2cc[nH+]c2)n1)CCC3 ZINC001187033933 1134292516 /nfs/dbraw/zinc/29/25/16/1134292516.db2.gz BYDIQSRYGFXIDB-UHFFFAOYSA-N 1 2 327.457 3.532 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000789545223 1134294524 /nfs/dbraw/zinc/29/45/24/1134294524.db2.gz FJAWBKRSEQTWSU-OAHLLOKOSA-N 1 2 340.492 3.781 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000789545223 1134294526 /nfs/dbraw/zinc/29/45/26/1134294526.db2.gz FJAWBKRSEQTWSU-OAHLLOKOSA-N 1 2 340.492 3.781 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC(=O)c4cccn43)c2)[nH+]c1C ZINC000789905365 1134348837 /nfs/dbraw/zinc/34/88/37/1134348837.db2.gz JNLKECJVMFNRDA-QGZVFWFLSA-N 1 2 348.406 3.651 20 0 EHADLO CCOC(=O)c1cc(OC)c(OC)cc1Nc1cc(C)c[nH+]c1C ZINC001203666669 1134372142 /nfs/dbraw/zinc/37/21/42/1134372142.db2.gz ABBADNPPAHQOSC-UHFFFAOYSA-N 1 2 330.384 3.636 20 0 EHADLO CCc1[nH]c(CNc2ccnc(CSc3ccccc3)n2)c[nH+]1 ZINC001187739683 1134378862 /nfs/dbraw/zinc/37/88/62/1134378862.db2.gz FQGWHKZWAMXIHF-UHFFFAOYSA-N 1 2 325.441 3.667 20 0 EHADLO CCc1[nH]cc(CNc2ccnc(CSc3ccccc3)n2)[nH+]1 ZINC001187739683 1134378869 /nfs/dbraw/zinc/37/88/69/1134378869.db2.gz FQGWHKZWAMXIHF-UHFFFAOYSA-N 1 2 325.441 3.667 20 0 EHADLO C[C@@H](c1cccc(NC(=S)Nc2ccsc2)c1)[NH+]1CCOCC1 ZINC000790319384 1134395154 /nfs/dbraw/zinc/39/51/54/1134395154.db2.gz ICDDPMPSAPIARR-ZDUSSCGKSA-N 1 2 347.509 3.950 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001187930612 1134402082 /nfs/dbraw/zinc/40/20/82/1134402082.db2.gz MJZFYTFDFXLAHV-UHFFFAOYSA-N 1 2 344.802 3.626 20 0 EHADLO CCSc1nn(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c(=S)s1 ZINC000790476489 1134422240 /nfs/dbraw/zinc/42/22/40/1134422240.db2.gz FKQJDMIGPUWMQW-RYUDHWBXSA-N 1 2 347.575 3.881 20 0 EHADLO CCSc1nn(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c(=S)s1 ZINC000790476489 1134422246 /nfs/dbraw/zinc/42/22/46/1134422246.db2.gz FKQJDMIGPUWMQW-RYUDHWBXSA-N 1 2 347.575 3.881 20 0 EHADLO C[C@@H]1CCN(C(=O)OCc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC001188109487 1134428282 /nfs/dbraw/zinc/42/82/82/1134428282.db2.gz KIHBQJCRYXONKL-CZUORRHYSA-N 1 2 333.819 3.756 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC2(CCCCC2)O1 ZINC000790799703 1134467518 /nfs/dbraw/zinc/46/75/18/1134467518.db2.gz KBAXETZLALCJIA-AWEZNQCLSA-N 1 2 343.475 3.875 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCOc1ccccc1 ZINC000791268387 1134524317 /nfs/dbraw/zinc/52/43/17/1134524317.db2.gz URVMNBIDSSZSAX-UHFFFAOYSA-N 1 2 336.391 3.693 20 0 EHADLO C/C(=C/C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000791269342 1134524838 /nfs/dbraw/zinc/52/48/38/1134524838.db2.gz AUEOVJPALQNNTL-DVFVSVACSA-N 1 2 327.472 3.787 20 0 EHADLO CC(=CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000791269342 1134524844 /nfs/dbraw/zinc/52/48/44/1134524844.db2.gz AUEOVJPALQNNTL-DVFVSVACSA-N 1 2 327.472 3.787 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cnc(C2CC2)s1 ZINC000791370502 1134535581 /nfs/dbraw/zinc/53/55/81/1134535581.db2.gz FQGLEKPWFKHGFY-UHFFFAOYSA-N 1 2 339.420 3.872 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1csc(Cl)n1 ZINC000791452785 1134554305 /nfs/dbraw/zinc/55/43/05/1134554305.db2.gz JSHLIJRYBFUAFW-UHFFFAOYSA-N 1 2 333.800 3.648 20 0 EHADLO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748148 1134601688 /nfs/dbraw/zinc/60/16/88/1134601688.db2.gz FRBZXGJTSYXDLT-AWEZNQCLSA-N 1 2 328.412 3.606 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)o1 ZINC000775268857 1134602149 /nfs/dbraw/zinc/60/21/49/1134602149.db2.gz YTNMGFMMNPJNRG-CYBMUJFWSA-N 1 2 329.400 3.605 20 0 EHADLO Cc1ccnc2cc(NC(=O)c3ccccc3-n3cc[nH+]c3)ccc12 ZINC001190100745 1134655683 /nfs/dbraw/zinc/65/56/83/1134655683.db2.gz UEWPCKBRNQVVDH-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190112003 1134661127 /nfs/dbraw/zinc/66/11/27/1134661127.db2.gz BDQPBPXUGCDUPN-OAHLLOKOSA-N 1 2 335.407 3.762 20 0 EHADLO Brc1cncc(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC001203717671 1134673989 /nfs/dbraw/zinc/67/39/89/1134673989.db2.gz KPRGQARARPFIIK-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO COc1ccccc1Cc1cn(CC(=O)c2c[nH]c3ccccc32)c[nH+]1 ZINC001190272865 1134675428 /nfs/dbraw/zinc/67/54/28/1134675428.db2.gz CLNPOYHMRSGQCX-UHFFFAOYSA-N 1 2 345.402 3.847 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1nccn1C ZINC000775387214 1134701135 /nfs/dbraw/zinc/70/11/35/1134701135.db2.gz KTRXTWHOHWJZFY-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO CCC(C)(C)c1ccc(S(=O)(=O)NCc2c[nH+]cn2C(C)C)cc1 ZINC001190460519 1134705041 /nfs/dbraw/zinc/70/50/41/1134705041.db2.gz LLGVAILRGUPPDG-UHFFFAOYSA-N 1 2 349.500 3.630 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)n(C)n1)Cc1cccc(Br)c1 ZINC001190582249 1134722543 /nfs/dbraw/zinc/72/25/43/1134722543.db2.gz UAZSNABQGBENLX-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO CC[N@H+](Cc1cc(Cl)n(C)n1)Cc1cccc(Br)c1 ZINC001190582249 1134722537 /nfs/dbraw/zinc/72/25/37/1134722537.db2.gz UAZSNABQGBENLX-UHFFFAOYSA-N 1 2 342.668 3.858 20 0 EHADLO Oc1cc(CN2CC[NH+](C3CCCCC3)CC2)c(F)c(F)c1Cl ZINC001250387132 1134728103 /nfs/dbraw/zinc/72/81/03/1134728103.db2.gz GOAFQGSXHBTUCE-UHFFFAOYSA-N 1 2 344.833 3.774 20 0 EHADLO CCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001190639379 1134730944 /nfs/dbraw/zinc/73/09/44/1134730944.db2.gz NDTZAHRIOIWLAR-AWEZNQCLSA-N 1 2 332.275 3.695 20 0 EHADLO Cc1ccc(NC2CC(C)(C)OC(C)(C)C2)c(C[NH+]2CCOCC2)c1 ZINC001170362651 1134756470 /nfs/dbraw/zinc/75/64/70/1134756470.db2.gz IJWXAIDTHMQUKV-UHFFFAOYSA-N 1 2 346.515 3.975 20 0 EHADLO CCc1ccc(CN2CC[NH+](CCc3ccccc3F)CC2)s1 ZINC001191119844 1134797058 /nfs/dbraw/zinc/79/70/58/1134797058.db2.gz CCTUYJWMLXCGGB-UHFFFAOYSA-N 1 2 332.488 3.810 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](OC)c2ccc(F)cc2)o1 ZINC001191122905 1134797884 /nfs/dbraw/zinc/79/78/84/1134797884.db2.gz STZIVSMBGYHMPJ-PKOBYXMFSA-N 1 2 333.403 3.742 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](OC)c2ccc(F)cc2)o1 ZINC001191122905 1134797891 /nfs/dbraw/zinc/79/78/91/1134797891.db2.gz STZIVSMBGYHMPJ-PKOBYXMFSA-N 1 2 333.403 3.742 20 0 EHADLO Cc1cc(NCc2ccc(Cl)cc2-n2cncn2)ccc1[NH+](C)C ZINC000792864737 1134802247 /nfs/dbraw/zinc/80/22/47/1134802247.db2.gz MRFFFRMTKSNTJI-UHFFFAOYSA-N 1 2 341.846 3.907 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(Oc2ccccc2)n1 ZINC001191135300 1134809185 /nfs/dbraw/zinc/80/91/85/1134809185.db2.gz ITHJHPZPLZLERJ-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792874396 1134810093 /nfs/dbraw/zinc/81/00/93/1134810093.db2.gz FYRSAMFFPUBZJW-LBPRGKRZSA-N 1 2 337.341 3.692 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792900307 1134817163 /nfs/dbraw/zinc/81/71/63/1134817163.db2.gz BBJGWUAPFCJEOW-GOEBONIOSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792900307 1134817169 /nfs/dbraw/zinc/81/71/69/1134817169.db2.gz BBJGWUAPFCJEOW-GOEBONIOSA-N 1 2 341.282 3.758 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC001191350147 1134847344 /nfs/dbraw/zinc/84/73/44/1134847344.db2.gz HPNKMDCTNWEEEU-UHFFFAOYSA-N 1 2 349.400 3.985 20 0 EHADLO Fc1ccc(Cl)cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191389880 1134853606 /nfs/dbraw/zinc/85/36/06/1134853606.db2.gz GQATUFRMALJPLM-UHFFFAOYSA-N 1 2 348.849 3.818 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)OCCc2c[nH+]cn2C)c2ccccc21 ZINC000793240628 1134886101 /nfs/dbraw/zinc/88/61/01/1134886101.db2.gz HAODCMUHLRLQGK-KXBFYZLASA-N 1 2 326.440 3.823 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CCC(C)C)CC1 ZINC001191611224 1134896879 /nfs/dbraw/zinc/89/68/79/1134896879.db2.gz ZROWEOKJKBDBJT-UHFFFAOYSA-N 1 2 341.503 3.927 20 0 EHADLO CCO[C@@H](CC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793392234 1134922595 /nfs/dbraw/zinc/92/25/95/1134922595.db2.gz ZGBZYZVYRCRJDT-KRWDZBQOSA-N 1 2 328.412 3.607 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000793486393 1134940237 /nfs/dbraw/zinc/94/02/37/1134940237.db2.gz MNWBYWWCNVXCLU-PZJWPPBQSA-N 1 2 349.478 3.657 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000793486393 1134940246 /nfs/dbraw/zinc/94/02/46/1134940246.db2.gz MNWBYWWCNVXCLU-PZJWPPBQSA-N 1 2 349.478 3.657 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)Nc3cccc4[nH+]ccn43)n2)cc1 ZINC001192056598 1134962882 /nfs/dbraw/zinc/96/28/82/1134962882.db2.gz LYGUSHBUNGYLCT-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CC(C)CC[C@H](O)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001192557234 1135029583 /nfs/dbraw/zinc/02/95/83/1135029583.db2.gz OLYWUMPMYUENPK-ZWKOTPCHSA-N 1 2 335.488 3.531 20 0 EHADLO CC(F)(F)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000794249986 1135031816 /nfs/dbraw/zinc/03/18/16/1135031816.db2.gz TWHKAJQJFNFCNJ-UHFFFAOYSA-N 1 2 341.361 3.914 20 0 EHADLO CCCCOC(=O)c1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001192600747 1135036278 /nfs/dbraw/zinc/03/62/78/1135036278.db2.gz XUXMYCVJDUBALM-UHFFFAOYSA-N 1 2 337.379 3.544 20 0 EHADLO C[C@@H]1[C@H](C)[N@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672868 1135043342 /nfs/dbraw/zinc/04/33/42/1135043342.db2.gz JYBZYNYQOKYCKR-WDEREUQCSA-N 1 2 342.427 3.569 20 0 EHADLO C[C@@H]1[C@H](C)[N@@H+](CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001192672868 1135043346 /nfs/dbraw/zinc/04/33/46/1135043346.db2.gz JYBZYNYQOKYCKR-WDEREUQCSA-N 1 2 342.427 3.569 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775558388 1135086426 /nfs/dbraw/zinc/08/64/26/1135086426.db2.gz LQPLDSQCYBJVAF-FQEVSTJZSA-N 1 2 336.414 3.803 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775558388 1135086432 /nfs/dbraw/zinc/08/64/32/1135086432.db2.gz LQPLDSQCYBJVAF-FQEVSTJZSA-N 1 2 336.414 3.803 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c(F)c1F ZINC001193028719 1135091058 /nfs/dbraw/zinc/09/10/58/1135091058.db2.gz SPNXZCKFHFNMOA-UHFFFAOYSA-N 1 2 347.296 3.551 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775563271 1135098111 /nfs/dbraw/zinc/09/81/11/1135098111.db2.gz OJBCUJXVAREKLC-NRFANRHFSA-N 1 2 348.450 3.672 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000775563271 1135098112 /nfs/dbraw/zinc/09/81/12/1135098112.db2.gz OJBCUJXVAREKLC-NRFANRHFSA-N 1 2 348.450 3.672 20 0 EHADLO C[C@@H]([NH2+]CCc1c(F)cccc1F)c1noc(Cc2ccccc2)n1 ZINC001193154603 1135110089 /nfs/dbraw/zinc/11/00/89/1135110089.db2.gz MXOUFFXLBVHPQO-CYBMUJFWSA-N 1 2 343.377 3.832 20 0 EHADLO CC(=O)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1OC(C)C ZINC001129594886 1135117860 /nfs/dbraw/zinc/11/78/60/1135117860.db2.gz ZATZWNOFAABFFN-UHFFFAOYSA-N 1 2 337.379 3.576 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000775590581 1135124659 /nfs/dbraw/zinc/12/46/59/1135124659.db2.gz BQTAPSJNFRYJEW-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000775590581 1135124663 /nfs/dbraw/zinc/12/46/63/1135124663.db2.gz BQTAPSJNFRYJEW-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO CC(C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001193514457 1135149136 /nfs/dbraw/zinc/14/91/36/1135149136.db2.gz QRIZDCDMQBUOOS-UHFFFAOYSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)OC(=O)NCc1c[nH+]cn1Cc1ccccc1C(F)(F)F ZINC001193514365 1135149237 /nfs/dbraw/zinc/14/92/37/1135149237.db2.gz OFYPLZSCXCCBPH-UHFFFAOYSA-N 1 2 341.333 3.585 20 0 EHADLO Cc1ccc(SCC[N@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1C ZINC001193687112 1135171518 /nfs/dbraw/zinc/17/15/18/1135171518.db2.gz PSFKPNUFFXLWIL-QGZVFWFLSA-N 1 2 334.529 3.584 20 0 EHADLO Cc1ccc(SCC[N@@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1C ZINC001193687112 1135171522 /nfs/dbraw/zinc/17/15/22/1135171522.db2.gz PSFKPNUFFXLWIL-QGZVFWFLSA-N 1 2 334.529 3.584 20 0 EHADLO CC(C)COC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001193863408 1135197732 /nfs/dbraw/zinc/19/77/32/1135197732.db2.gz GAGKYOJXOKQAKV-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(F)c(C(F)(F)F)cc1F ZINC000805459433 1135274595 /nfs/dbraw/zinc/27/45/95/1135274595.db2.gz LOVKXYXNFOGWJN-ZDUSSCGKSA-N 1 2 337.288 3.511 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(F)c(C(F)(F)F)cc1F ZINC000805459433 1135274597 /nfs/dbraw/zinc/27/45/97/1135274597.db2.gz LOVKXYXNFOGWJN-ZDUSSCGKSA-N 1 2 337.288 3.511 20 0 EHADLO CC(C)n1c[nH+]cc1CNC(=O)Oc1ccc(Br)cc1 ZINC001194621483 1135300115 /nfs/dbraw/zinc/30/01/15/1135300115.db2.gz WMEAXHYJVOKAHS-UHFFFAOYSA-N 1 2 338.205 3.515 20 0 EHADLO Cc1csc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC001194659307 1135301964 /nfs/dbraw/zinc/30/19/64/1135301964.db2.gz UYAZNEGEEAEYRK-UHFFFAOYSA-N 1 2 349.887 3.714 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1Cl ZINC001194763320 1135319423 /nfs/dbraw/zinc/31/94/23/1135319423.db2.gz DFZAWDBEXHXQHJ-CYBMUJFWSA-N 1 2 345.826 3.910 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1Cl ZINC001194763320 1135319427 /nfs/dbraw/zinc/31/94/27/1135319427.db2.gz DFZAWDBEXHXQHJ-CYBMUJFWSA-N 1 2 345.826 3.910 20 0 EHADLO Cc1ccc(CCNC(=O)c2cccc(-c3c[nH+]cn3C)c2)c(C)c1 ZINC001194908268 1135338876 /nfs/dbraw/zinc/33/88/76/1135338876.db2.gz WAMZTCYURNFEMY-UHFFFAOYSA-N 1 2 333.435 3.676 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccc(C)cc3)CC2)cs1 ZINC000805863269 1135340844 /nfs/dbraw/zinc/34/08/44/1135340844.db2.gz XSDZCIVGQHZPCK-UHFFFAOYSA-N 1 2 344.480 3.715 20 0 EHADLO Cc1cnc(Cl)c(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001194887351 1135343460 /nfs/dbraw/zinc/34/34/60/1135343460.db2.gz NTMDNRIMGAQCJX-UHFFFAOYSA-N 1 2 326.787 3.696 20 0 EHADLO Cc1cc(C)c(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)c(C)[nH+]1 ZINC000747294872 1135368185 /nfs/dbraw/zinc/36/81/85/1135368185.db2.gz PAJUPHFGGKNRCJ-UHFFFAOYSA-N 1 2 347.459 3.783 20 0 EHADLO O=C(c1sccc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001195208704 1135393223 /nfs/dbraw/zinc/39/32/23/1135393223.db2.gz RLWJBBARKBYTDX-SECBINFHSA-N 1 2 329.347 3.510 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000806179593 1135411523 /nfs/dbraw/zinc/41/15/23/1135411523.db2.gz FOWCMYPYYFELQA-GUYCJALGSA-N 1 2 335.398 3.778 20 0 EHADLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC001203808319 1135427946 /nfs/dbraw/zinc/42/79/46/1135427946.db2.gz HZQKRWCISUVAHB-SKDRFNHKSA-N 1 2 328.161 3.596 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC001203808319 1135427948 /nfs/dbraw/zinc/42/79/48/1135427948.db2.gz HZQKRWCISUVAHB-SKDRFNHKSA-N 1 2 328.161 3.596 20 0 EHADLO CCc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000806554220 1135456851 /nfs/dbraw/zinc/45/68/51/1135456851.db2.gz NMGAZTGTYVXQNU-INIZCTEOSA-N 1 2 332.423 3.821 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001195703761 1135457692 /nfs/dbraw/zinc/45/76/92/1135457692.db2.gz CINNCUDEVCUDCJ-LSDHHAIUSA-N 1 2 345.842 3.565 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001195703761 1135457695 /nfs/dbraw/zinc/45/76/95/1135457695.db2.gz CINNCUDEVCUDCJ-LSDHHAIUSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000775669925 1135462814 /nfs/dbraw/zinc/46/28/14/1135462814.db2.gz FIGRBPFMCPGVPI-GOSISDBHSA-N 1 2 338.455 3.528 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccn(C(F)F)n3)c2)[nH+]c1C ZINC000775673568 1135480734 /nfs/dbraw/zinc/48/07/34/1135480734.db2.gz WVXVOCGVDNBMBF-UHFFFAOYSA-N 1 2 331.326 3.537 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001203819964 1135492707 /nfs/dbraw/zinc/49/27/07/1135492707.db2.gz KNULSTHVOGNXGR-SNVBAGLBSA-N 1 2 340.254 3.996 20 0 EHADLO COc1ccccc1CCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC001196141923 1135520718 /nfs/dbraw/zinc/52/07/18/1135520718.db2.gz GMVMESGLNDGRKZ-IBGZPJMESA-N 1 2 329.415 3.840 20 0 EHADLO COc1ccccc1CCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC001196141923 1135520725 /nfs/dbraw/zinc/52/07/25/1135520725.db2.gz GMVMESGLNDGRKZ-IBGZPJMESA-N 1 2 329.415 3.840 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cc(Cl)c(F)cc1O ZINC001196477889 1135566029 /nfs/dbraw/zinc/56/60/29/1135566029.db2.gz JFEAYFCUHMVAPZ-HNNXBMFYSA-N 1 2 348.805 3.934 20 0 EHADLO CCC(=CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(OC)cc1 ZINC000747418388 1135568030 /nfs/dbraw/zinc/56/80/30/1135568030.db2.gz FDZVLGZKNBTUKN-QINSGFPZSA-N 1 2 339.439 3.618 20 0 EHADLO CCC(=CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(OC)cc1 ZINC000747418388 1135568033 /nfs/dbraw/zinc/56/80/33/1135568033.db2.gz FDZVLGZKNBTUKN-QINSGFPZSA-N 1 2 339.439 3.618 20 0 EHADLO Fc1ccc(CNC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001196488584 1135568179 /nfs/dbraw/zinc/56/81/79/1135568179.db2.gz YHSUXOVGSZYGIH-UHFFFAOYSA-N 1 2 340.427 3.557 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)cn1 ZINC000794426717 1135579778 /nfs/dbraw/zinc/57/97/78/1135579778.db2.gz HLRCPXFQVULBNW-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO COc1ccnc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000794426668 1135590345 /nfs/dbraw/zinc/59/03/45/1135590345.db2.gz GHDGDEJZKYMBEA-UHFFFAOYSA-N 1 2 349.390 3.509 20 0 EHADLO CC1(C)C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@H]1c1ccncc1 ZINC000808139016 1135622502 /nfs/dbraw/zinc/62/25/02/1135622502.db2.gz ONNADLBGWJRJER-KRWDZBQOSA-N 1 2 341.480 3.675 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@H]1c1ccncc1 ZINC000808139016 1135622507 /nfs/dbraw/zinc/62/25/07/1135622507.db2.gz ONNADLBGWJRJER-KRWDZBQOSA-N 1 2 341.480 3.675 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012926 1135640127 /nfs/dbraw/zinc/64/01/27/1135640127.db2.gz JJBPQKXNTWOBQZ-QUCCMNQESA-N 1 2 327.399 3.895 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012926 1135640130 /nfs/dbraw/zinc/64/01/30/1135640130.db2.gz JJBPQKXNTWOBQZ-QUCCMNQESA-N 1 2 327.399 3.895 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc(C)s2)C1 ZINC000102765919 1135646368 /nfs/dbraw/zinc/64/63/68/1135646368.db2.gz LCOZXSOASCBAPE-ZDUSSCGKSA-N 1 2 336.526 3.884 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc(C)s2)C1 ZINC000102765919 1135646372 /nfs/dbraw/zinc/64/63/72/1135646372.db2.gz LCOZXSOASCBAPE-ZDUSSCGKSA-N 1 2 336.526 3.884 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC001197114436 1135651431 /nfs/dbraw/zinc/65/14/31/1135651431.db2.gz HAEGVWUSDRKLMV-HNNXBMFYSA-N 1 2 330.859 3.924 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001197522683 1135698396 /nfs/dbraw/zinc/69/83/96/1135698396.db2.gz AHSITFDDZAUTCK-FQEVSTJZSA-N 1 2 327.447 3.798 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1ccc(-c2ccccc2)s1 ZINC001131380243 1135703763 /nfs/dbraw/zinc/70/37/63/1135703763.db2.gz XGZLTYVSIZXIFD-UHFFFAOYSA-N 1 2 325.437 3.708 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000808762429 1135729380 /nfs/dbraw/zinc/72/93/80/1135729380.db2.gz ZYGBOHPRFRNKMH-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000808762429 1135729384 /nfs/dbraw/zinc/72/93/84/1135729384.db2.gz ZYGBOHPRFRNKMH-IBGZPJMESA-N 1 2 327.424 3.822 20 0 EHADLO CCC[NH+](CCC)c1ccc(NS(=O)(=O)Cc2ccccn2)cc1 ZINC001197821717 1135744293 /nfs/dbraw/zinc/74/42/93/1135744293.db2.gz XLQFXLRMJQOYFI-UHFFFAOYSA-N 1 2 347.484 3.650 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(F)(C3CC3)CC2)c1Cl ZINC001198387863 1135807688 /nfs/dbraw/zinc/80/76/88/1135807688.db2.gz JAYQRGQHVCYUTF-UHFFFAOYSA-N 1 2 339.764 3.806 20 0 EHADLO Brc1cccc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000809356099 1135824698 /nfs/dbraw/zinc/82/46/98/1135824698.db2.gz IGDUCUAYQSORFF-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO Clc1csc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000809403465 1135836434 /nfs/dbraw/zinc/83/64/34/1135836434.db2.gz HCRKDBJANRXIFK-UHFFFAOYSA-N 1 2 329.772 3.699 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1nc2ccccn2c1Br)C1CC1 ZINC000809547533 1135854208 /nfs/dbraw/zinc/85/42/08/1135854208.db2.gz RKLNNANRXMXGPW-NSHDSACASA-N 1 2 334.261 3.860 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1nc2ccccn2c1Br)C1CC1 ZINC000809547533 1135854211 /nfs/dbraw/zinc/85/42/11/1135854211.db2.gz RKLNNANRXMXGPW-NSHDSACASA-N 1 2 334.261 3.860 20 0 EHADLO CCc1ccc2c(c1)C[N@H+]([C@@H](C)c1nc(-c3cccnc3)no1)CC2 ZINC001198850694 1135860762 /nfs/dbraw/zinc/86/07/62/1135860762.db2.gz BUCVFYZQKAGJBS-AWEZNQCLSA-N 1 2 334.423 3.813 20 0 EHADLO CCc1ccc2c(c1)C[N@@H+]([C@@H](C)c1nc(-c3cccnc3)no1)CC2 ZINC001198850694 1135860766 /nfs/dbraw/zinc/86/07/66/1135860766.db2.gz BUCVFYZQKAGJBS-AWEZNQCLSA-N 1 2 334.423 3.813 20 0 EHADLO COc1cc(C)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000775895500 1135861162 /nfs/dbraw/zinc/86/11/62/1135861162.db2.gz PFUUAXDFUVGUAM-MRXNPFEDSA-N 1 2 348.422 3.576 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)c(C)c1 ZINC000809726963 1135872547 /nfs/dbraw/zinc/87/25/47/1135872547.db2.gz ZRNXIEBTJRRJND-HNNXBMFYSA-N 1 2 339.867 3.534 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)c(C)c1 ZINC000809726963 1135872551 /nfs/dbraw/zinc/87/25/51/1135872551.db2.gz ZRNXIEBTJRRJND-HNNXBMFYSA-N 1 2 339.867 3.534 20 0 EHADLO Cc1cccn2c(CN(C)c3ccc4c(C)cc(=O)oc4c3)c[nH+]c12 ZINC000809724610 1135878677 /nfs/dbraw/zinc/87/86/77/1135878677.db2.gz RHWJDJMVHORMNU-UHFFFAOYSA-N 1 2 333.391 3.694 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000809726685 1135879535 /nfs/dbraw/zinc/87/95/35/1135879535.db2.gz STRCUFXWYKEZFF-CQSZACIVSA-N 1 2 339.505 3.757 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000809726685 1135879536 /nfs/dbraw/zinc/87/95/36/1135879536.db2.gz STRCUFXWYKEZFF-CQSZACIVSA-N 1 2 339.505 3.757 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000809789781 1135892628 /nfs/dbraw/zinc/89/26/28/1135892628.db2.gz FPSAGTZBZDFOSD-UHFFFAOYSA-N 1 2 333.863 3.809 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000809789781 1135892630 /nfs/dbraw/zinc/89/26/30/1135892630.db2.gz FPSAGTZBZDFOSD-UHFFFAOYSA-N 1 2 333.863 3.809 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C2CCC2)nc1 ZINC001199287465 1135892985 /nfs/dbraw/zinc/89/29/85/1135892985.db2.gz GZFVKONDQPVTSO-UHFFFAOYSA-N 1 2 332.407 3.846 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(F)CCCCC3)n2)C1 ZINC000809999356 1135912414 /nfs/dbraw/zinc/91/24/14/1135912414.db2.gz LJFXTTSJVBCIIN-CYBMUJFWSA-N 1 2 339.480 3.986 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(F)CCCCC3)n2)C1 ZINC000809999356 1135912416 /nfs/dbraw/zinc/91/24/16/1135912416.db2.gz LJFXTTSJVBCIIN-CYBMUJFWSA-N 1 2 339.480 3.986 20 0 EHADLO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1cccc(F)n1 ZINC000810150345 1135931446 /nfs/dbraw/zinc/93/14/46/1135931446.db2.gz BIPBHYBKQVFXTE-UHFFFAOYSA-N 1 2 328.218 3.883 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000867331735 1135933492 /nfs/dbraw/zinc/93/34/92/1135933492.db2.gz IABRFXDIRNLNFF-ZWKOTPCHSA-N 1 2 345.874 3.706 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462236 1135952852 /nfs/dbraw/zinc/95/28/52/1135952852.db2.gz LOWMESDTXACBIH-UHFFFAOYSA-N 1 2 329.753 3.871 20 0 EHADLO Cc1cc(Cl)c(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1C ZINC001132405060 1135994052 /nfs/dbraw/zinc/99/40/52/1135994052.db2.gz PUVFMLQLCAYVJP-GOSISDBHSA-N 1 2 328.843 3.873 20 0 EHADLO Cc1cc(Cl)c(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1C ZINC001132405060 1135994057 /nfs/dbraw/zinc/99/40/57/1135994057.db2.gz PUVFMLQLCAYVJP-GOSISDBHSA-N 1 2 328.843 3.873 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(N)[nH+]c3)ccc2C1 ZINC001201285172 1136001070 /nfs/dbraw/zinc/00/10/70/1136001070.db2.gz BSJICUSKPVNHII-UHFFFAOYSA-N 1 2 340.427 3.701 20 0 EHADLO CCOC(=O)c1csc(-c2cccc(Nc3ccc(N)[nH+]c3)c2)n1 ZINC001201291679 1136001806 /nfs/dbraw/zinc/00/18/06/1136001806.db2.gz MQOJXZONCWNETI-UHFFFAOYSA-N 1 2 340.408 3.708 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001201458386 1136022918 /nfs/dbraw/zinc/02/29/18/1136022918.db2.gz IVATUBAMQHGHRV-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/Sc2ccccc2)c1C ZINC000747672183 1136044580 /nfs/dbraw/zinc/04/45/80/1136044580.db2.gz HZWJEXBPKOBOBH-MDZDMXLPSA-N 1 2 328.437 3.629 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001132621149 1136046394 /nfs/dbraw/zinc/04/63/94/1136046394.db2.gz CGQHAMCLRPCQRI-FOIQADDNSA-N 1 2 338.451 3.780 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001132621149 1136046398 /nfs/dbraw/zinc/04/63/98/1136046398.db2.gz CGQHAMCLRPCQRI-FOIQADDNSA-N 1 2 338.451 3.780 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(-c2cscn2)c1 ZINC001132623642 1136047209 /nfs/dbraw/zinc/04/72/09/1136047209.db2.gz STDRXGKOWSZCMP-LJQANCHMSA-N 1 2 349.459 3.727 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(-c2cscn2)c1 ZINC001132623642 1136047212 /nfs/dbraw/zinc/04/72/12/1136047212.db2.gz STDRXGKOWSZCMP-LJQANCHMSA-N 1 2 349.459 3.727 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cccc(OC(F)(F)F)c2)[nH]1 ZINC001201851617 1136066657 /nfs/dbraw/zinc/06/66/57/1136066657.db2.gz YNODVILZYHKGAX-JTQLQIEISA-N 1 2 328.338 3.678 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCc2cc(F)ccc21 ZINC001132815041 1136087709 /nfs/dbraw/zinc/08/77/09/1136087709.db2.gz GINVGPWTKUDBIG-UXHICEINSA-N 1 2 349.409 3.610 20 0 EHADLO COc1cc2c(cc1CNc1[nH+]cccc1OC(C)C)O[C@@H](C)C2 ZINC001202032003 1136089358 /nfs/dbraw/zinc/08/93/58/1136089358.db2.gz VEHQMNHEWOQMQK-ZDUSSCGKSA-N 1 2 328.412 3.813 20 0 EHADLO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000811466611 1136090906 /nfs/dbraw/zinc/09/09/06/1136090906.db2.gz ZJDWPGCTRKFABJ-NRFANRHFSA-N 1 2 335.451 3.762 20 0 EHADLO Cc1cn[nH]c1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000811466611 1136090911 /nfs/dbraw/zinc/09/09/11/1136090911.db2.gz ZJDWPGCTRKFABJ-NRFANRHFSA-N 1 2 335.451 3.762 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811488184 1136093271 /nfs/dbraw/zinc/09/32/71/1136093271.db2.gz NMHHPPHWTJCCDY-LBPRGKRZSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811488184 1136093274 /nfs/dbraw/zinc/09/32/74/1136093274.db2.gz NMHHPPHWTJCCDY-LBPRGKRZSA-N 1 2 345.270 3.800 20 0 EHADLO Brc1ccoc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518276 1136098259 /nfs/dbraw/zinc/09/82/59/1136098259.db2.gz ITJBBDRCCFEMLD-JSGCOSHPSA-N 1 2 326.234 3.576 20 0 EHADLO Brc1ccoc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518276 1136098262 /nfs/dbraw/zinc/09/82/62/1136098262.db2.gz ITJBBDRCCFEMLD-JSGCOSHPSA-N 1 2 326.234 3.576 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000794441214 1136099603 /nfs/dbraw/zinc/09/96/03/1136099603.db2.gz APJUVCURFQZWFH-DOMZBBRYSA-N 1 2 339.266 3.775 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000794441214 1136099605 /nfs/dbraw/zinc/09/96/05/1136099605.db2.gz APJUVCURFQZWFH-DOMZBBRYSA-N 1 2 339.266 3.775 20 0 EHADLO O=C(NCc1c[nH+]cn1CC1CC1)Nc1ccccc1C(F)(F)F ZINC001202173096 1136105591 /nfs/dbraw/zinc/10/55/91/1136105591.db2.gz ZVNYPCOYKSMFAL-UHFFFAOYSA-N 1 2 338.333 3.634 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)C3(F)CCCCC3)CC2)cc1 ZINC001132891963 1136108554 /nfs/dbraw/zinc/10/85/54/1136108554.db2.gz PJDDFWMZBFCLQJ-UHFFFAOYSA-N 1 2 332.463 3.566 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3ncnn3-c3ccccc3)oc21 ZINC001202227862 1136113760 /nfs/dbraw/zinc/11/37/60/1136113760.db2.gz PRLLXNUHFLJSLL-UHFFFAOYSA-N 1 2 332.407 3.866 20 0 EHADLO Cc1cccc(NC(=O)N2CCN(c3[nH+]ccc4ccccc43)CC2)c1 ZINC001202311352 1136121468 /nfs/dbraw/zinc/12/14/68/1136121468.db2.gz KKXIAWSBMHSTIA-UHFFFAOYSA-N 1 2 346.434 3.897 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1C ZINC000811742838 1136128725 /nfs/dbraw/zinc/12/87/25/1136128725.db2.gz KSTRUZWNLDKKDJ-UHFFFAOYSA-N 1 2 327.350 3.617 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2nc(C(F)(F)F)cc2C)cc1C ZINC000811742838 1136128727 /nfs/dbraw/zinc/12/87/27/1136128727.db2.gz KSTRUZWNLDKKDJ-UHFFFAOYSA-N 1 2 327.350 3.617 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@@H](C4CC4)C3)c(=O)cc2C)cc1 ZINC000811776680 1136134277 /nfs/dbraw/zinc/13/42/77/1136134277.db2.gz OTIJGDCWSMLEEM-LJQANCHMSA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@@H](C4CC4)C3)c(=O)cc2C)cc1 ZINC000811776680 1136134280 /nfs/dbraw/zinc/13/42/80/1136134280.db2.gz OTIJGDCWSMLEEM-LJQANCHMSA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C(C)(C)C)C3)c(=O)cc2C)cc1 ZINC000811763570 1136137198 /nfs/dbraw/zinc/13/71/98/1136137198.db2.gz CNBPATZEEXCINT-GOSISDBHSA-N 1 2 339.483 3.853 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C(C)(C)C)C3)c(=O)cc2C)cc1 ZINC000811763570 1136137200 /nfs/dbraw/zinc/13/72/00/1136137200.db2.gz CNBPATZEEXCINT-GOSISDBHSA-N 1 2 339.483 3.853 20 0 EHADLO CCO[C@H](CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C)C1CCCC1 ZINC001202395378 1136141780 /nfs/dbraw/zinc/14/17/80/1136141780.db2.gz IAWGOAIKXZNGJV-QGZVFWFLSA-N 1 2 348.491 3.563 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000338911003 1136150137 /nfs/dbraw/zinc/15/01/37/1136150137.db2.gz GRBWGUZRVCRWRY-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000338911003 1136150139 /nfs/dbraw/zinc/15/01/39/1136150139.db2.gz GRBWGUZRVCRWRY-UHFFFAOYSA-N 1 2 334.398 3.696 20 0 EHADLO C[C@@H]1C[N@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290810 1136192360 /nfs/dbraw/zinc/19/23/60/1136192360.db2.gz JTBOGGDMOZKAAL-OCCSQVGLSA-N 1 2 342.817 3.591 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290810 1136192362 /nfs/dbraw/zinc/19/23/62/1136192362.db2.gz JTBOGGDMOZKAAL-OCCSQVGLSA-N 1 2 342.817 3.591 20 0 EHADLO O=C1CCCN1C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000812302201 1136196428 /nfs/dbraw/zinc/19/64/28/1136196428.db2.gz VMJSQCZUZKOMGL-UHFFFAOYSA-N 1 2 327.255 3.753 20 0 EHADLO CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000812420199 1136204901 /nfs/dbraw/zinc/20/49/01/1136204901.db2.gz VIJMSRATBAORFT-AEFFLSMTSA-N 1 2 341.455 3.761 20 0 EHADLO Cc1cc(NCc2ccc(O[C@@H]3CCOC3)cc2)ccc1[NH+](C)C ZINC000850206279 1136220176 /nfs/dbraw/zinc/22/01/76/1136220176.db2.gz LWIHKWWUTCFDSD-LJQANCHMSA-N 1 2 326.440 3.841 20 0 EHADLO O=C(/C=C/c1ccccc1Cl)NCCCCNc1cccc[nH+]1 ZINC000109281868 1136243628 /nfs/dbraw/zinc/24/36/28/1136243628.db2.gz OEAVRPWHFSZYNN-ZHACJKMWSA-N 1 2 329.831 3.757 20 0 EHADLO O[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Br)c2ccccc21 ZINC000850374274 1136244479 /nfs/dbraw/zinc/24/44/79/1136244479.db2.gz LHCQMLUGLGOHMX-CVEARBPZSA-N 1 2 336.204 3.856 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)s1 ZINC000850474251 1136266196 /nfs/dbraw/zinc/26/61/96/1136266196.db2.gz KTTIRHFWRWDBGZ-NWDGAFQWSA-N 1 2 346.452 3.667 20 0 EHADLO C[C@@H](NCc1nccn1CCc1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000813330191 1136318486 /nfs/dbraw/zinc/31/84/86/1136318486.db2.gz UNMATQHHDBBFOW-QGZVFWFLSA-N 1 2 349.482 3.509 20 0 EHADLO Brc1ccc2[nH]c(NCc3cccc4ccnn43)[nH+]c2c1 ZINC001170708517 1136345367 /nfs/dbraw/zinc/34/53/67/1136345367.db2.gz DWJKCROMOGCHNI-UHFFFAOYSA-N 1 2 342.200 3.585 20 0 EHADLO Brc1ccc2[nH+]c(NCc3cccc4ccnn43)[nH]c2c1 ZINC001170708517 1136345371 /nfs/dbraw/zinc/34/53/71/1136345371.db2.gz DWJKCROMOGCHNI-UHFFFAOYSA-N 1 2 342.200 3.585 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CCCCNC(=O)OC(C)(C)C)[nH+]1 ZINC000813612337 1136351029 /nfs/dbraw/zinc/35/10/29/1136351029.db2.gz VFEVJWDMSMHXLZ-LBPRGKRZSA-N 1 2 347.463 3.762 20 0 EHADLO Cc1cccc(-c2cccc(CNC(=O)N[C@H](C)Cn3cc[nH+]c3)c2)c1 ZINC000338934565 1136360987 /nfs/dbraw/zinc/36/09/87/1136360987.db2.gz BIVLVJBHJGSDCP-QGZVFWFLSA-N 1 2 348.450 3.746 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC(F)(F)C1 ZINC000851400988 1136376813 /nfs/dbraw/zinc/37/68/13/1136376813.db2.gz ZHYVSXZZGOJORQ-OAHLLOKOSA-N 1 2 338.398 3.667 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000851400169 1136376874 /nfs/dbraw/zinc/37/68/74/1136376874.db2.gz UNVVZDNVMHYGBV-UHFFFAOYSA-N 1 2 338.398 3.667 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(Cl)nc1 ZINC000851731772 1136402266 /nfs/dbraw/zinc/40/22/66/1136402266.db2.gz BOBQXNUSWKUWCY-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc(Cl)nc1 ZINC000851731772 1136402269 /nfs/dbraw/zinc/40/22/69/1136402269.db2.gz BOBQXNUSWKUWCY-OAHLLOKOSA-N 1 2 333.794 3.650 20 0 EHADLO Cc1nc(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)co1 ZINC000851802004 1136408379 /nfs/dbraw/zinc/40/83/79/1136408379.db2.gz BOMQLLBZQVGMIC-UHFFFAOYSA-N 1 2 349.475 3.595 20 0 EHADLO Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]Cc2cnon2)c1 ZINC000851957531 1136422800 /nfs/dbraw/zinc/42/28/00/1136422800.db2.gz PATCEPFRTNYYBK-AWEZNQCLSA-N 1 2 340.196 3.602 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000852004010 1136426632 /nfs/dbraw/zinc/42/66/32/1136426632.db2.gz NTOYGFFJEAUMPE-CYBMUJFWSA-N 1 2 348.727 3.716 20 0 EHADLO CCc1oc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1C(=O)OC ZINC000338941646 1136430289 /nfs/dbraw/zinc/43/02/89/1136430289.db2.gz KMUPYUMZSZZGQW-NSHDSACASA-N 1 2 335.375 3.627 20 0 EHADLO CCc1oc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1C(=O)OC ZINC000338942755 1136439785 /nfs/dbraw/zinc/43/97/85/1136439785.db2.gz OLQIBFHBABERNC-OAHLLOKOSA-N 1 2 334.441 3.634 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1F ZINC000852449341 1136456943 /nfs/dbraw/zinc/45/69/43/1136456943.db2.gz SWOFTMRGFFFBDP-OAHLLOKOSA-N 1 2 336.842 3.822 20 0 EHADLO C/C(=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000110625262 1136457206 /nfs/dbraw/zinc/45/72/06/1136457206.db2.gz NKJLJIYXAUJVCM-YBEGLDIGSA-N 1 2 349.409 3.790 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](CC(F)(F)F)O1 ZINC000852744098 1136483255 /nfs/dbraw/zinc/48/32/55/1136483255.db2.gz RXMKNZRHSJRRLF-FPMFFAJLSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@H](CC(F)(F)F)O1 ZINC000852744098 1136483257 /nfs/dbraw/zinc/48/32/57/1136483257.db2.gz RXMKNZRHSJRRLF-FPMFFAJLSA-N 1 2 343.345 3.508 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3noc4c3CCCC4)[C@@H](C)C2)cc1C ZINC000747968127 1136491308 /nfs/dbraw/zinc/49/13/08/1136491308.db2.gz KGWFOCFCPGSAEV-KRWDZBQOSA-N 1 2 339.483 3.881 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3noc4c3CCCC4)[C@@H](C)C2)cc1C ZINC000747968127 1136491309 /nfs/dbraw/zinc/49/13/09/1136491309.db2.gz KGWFOCFCPGSAEV-KRWDZBQOSA-N 1 2 339.483 3.881 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138005800 1136499207 /nfs/dbraw/zinc/49/92/07/1136499207.db2.gz PFYAVGRFJFUUCA-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC001138005800 1136499209 /nfs/dbraw/zinc/49/92/09/1136499209.db2.gz PFYAVGRFJFUUCA-GFCCVEGCSA-N 1 2 338.785 3.975 20 0 EHADLO Cn1c2ccccc2n(C[NH+]2CCC(c3ccon3)CC2)c1=S ZINC000853594002 1136547531 /nfs/dbraw/zinc/54/75/31/1136547531.db2.gz RQGMRAMKUFHBTN-UHFFFAOYSA-N 1 2 328.441 3.534 20 0 EHADLO COC(=O)C1([NH2+]C[C@H](O)c2cccc3ccccc32)CCCCCC1 ZINC000815080684 1136548513 /nfs/dbraw/zinc/54/85/13/1136548513.db2.gz HZIFVYOPOHYTMF-IBGZPJMESA-N 1 2 341.451 3.729 20 0 EHADLO CCCn1c(C)nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853610806 1136548891 /nfs/dbraw/zinc/54/88/91/1136548891.db2.gz VFNQKQSVIGISTF-MRXNPFEDSA-N 1 2 330.501 3.752 20 0 EHADLO CCCn1c(C)nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853610806 1136548893 /nfs/dbraw/zinc/54/88/93/1136548893.db2.gz VFNQKQSVIGISTF-MRXNPFEDSA-N 1 2 330.501 3.752 20 0 EHADLO Cc1cnc(C[N@@H+]2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)o1 ZINC000854062038 1136584938 /nfs/dbraw/zinc/58/49/38/1136584938.db2.gz LPGGRWFCBRKQBR-UHFFFAOYSA-N 1 2 336.439 3.753 20 0 EHADLO Cc1cnc(C[N@H+]2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)o1 ZINC000854062038 1136584941 /nfs/dbraw/zinc/58/49/41/1136584941.db2.gz LPGGRWFCBRKQBR-UHFFFAOYSA-N 1 2 336.439 3.753 20 0 EHADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000854153775 1136592830 /nfs/dbraw/zinc/59/28/30/1136592830.db2.gz SPHWRFZKMAIFCO-LBPRGKRZSA-N 1 2 341.814 3.613 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000854343562 1136608943 /nfs/dbraw/zinc/60/89/43/1136608943.db2.gz MZIZMNVEVXGOAA-ASNKMWSDSA-N 1 2 339.439 3.622 20 0 EHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000815596088 1136616396 /nfs/dbraw/zinc/61/63/96/1136616396.db2.gz KIEJDTWBFFAMLL-GFCCVEGCSA-N 1 2 328.366 3.909 20 0 EHADLO CC(C)(C)c1ccc(C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000854820335 1136645903 /nfs/dbraw/zinc/64/59/03/1136645903.db2.gz ZHVPADCXCURWIW-UHFFFAOYSA-N 1 2 325.456 3.656 20 0 EHADLO Cc1cc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc[nH+]1 ZINC000010165168 1136684878 /nfs/dbraw/zinc/68/48/78/1136684878.db2.gz VQAWQJNADUCTSS-UHFFFAOYSA-N 1 2 328.372 3.630 20 0 EHADLO CCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000816915550 1136765700 /nfs/dbraw/zinc/76/57/00/1136765700.db2.gz CNZRJBKJVKSOBK-CYBMUJFWSA-N 1 2 325.334 3.629 20 0 EHADLO CON(C(=O)CCc1[nH]cc[nH+]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856342037 1136778149 /nfs/dbraw/zinc/77/81/49/1136778149.db2.gz RJTZWEISIDEQGM-LLVKDONJSA-N 1 2 341.333 3.512 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000338993425 1136779250 /nfs/dbraw/zinc/77/92/50/1136779250.db2.gz JOJUDLRTGBTIGG-UHFFFAOYSA-N 1 2 345.512 3.577 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000338993425 1136779252 /nfs/dbraw/zinc/77/92/52/1136779252.db2.gz JOJUDLRTGBTIGG-UHFFFAOYSA-N 1 2 345.512 3.577 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817257204 1136789805 /nfs/dbraw/zinc/78/98/05/1136789805.db2.gz BQQXQDVGSGGXIE-UHFFFAOYSA-N 1 2 349.164 3.605 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000776891479 1136795772 /nfs/dbraw/zinc/79/57/72/1136795772.db2.gz RUKHVPPVESNNHD-UHFFFAOYSA-N 1 2 335.285 3.510 20 0 EHADLO Cc1ccc(-c2nc(CN(C)Cc3cn4c([nH+]3)CCCC4)cs2)o1 ZINC000429536970 1136800438 /nfs/dbraw/zinc/80/04/38/1136800438.db2.gz LVNJWTFHXSAOHF-UHFFFAOYSA-N 1 2 342.468 3.876 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC[C@H](C3CCCC3)C2)c(=S)n1C ZINC000817368890 1136800783 /nfs/dbraw/zinc/80/07/83/1136800783.db2.gz NFKOYEHQWPLNKQ-HNNXBMFYSA-N 1 2 346.500 3.989 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC[C@H](C3CCCC3)C2)c(=S)n1C ZINC000817368890 1136800785 /nfs/dbraw/zinc/80/07/85/1136800785.db2.gz NFKOYEHQWPLNKQ-HNNXBMFYSA-N 1 2 346.500 3.989 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000856721285 1136802808 /nfs/dbraw/zinc/80/28/08/1136802808.db2.gz HFSCMPAZFVUJMR-SFHVURJKSA-N 1 2 339.476 3.710 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000856721285 1136802811 /nfs/dbraw/zinc/80/28/11/1136802811.db2.gz HFSCMPAZFVUJMR-SFHVURJKSA-N 1 2 339.476 3.710 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406003 1136805097 /nfs/dbraw/zinc/80/50/97/1136805097.db2.gz HQFWQZBUGIBERW-RBUKOAKNSA-N 1 2 343.492 3.950 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406003 1136805100 /nfs/dbraw/zinc/80/51/00/1136805100.db2.gz HQFWQZBUGIBERW-RBUKOAKNSA-N 1 2 343.492 3.950 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@H]1CC1(Cl)Cl ZINC000856784159 1136811603 /nfs/dbraw/zinc/81/16/03/1136811603.db2.gz AFJZBRRQGXGTGN-SECBINFHSA-N 1 2 328.247 3.577 20 0 EHADLO CCCCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114782175 1136832909 /nfs/dbraw/zinc/83/29/09/1136832909.db2.gz ZSPCTCSFSHMTDD-MSOLQXFVSA-N 1 2 346.519 3.829 20 0 EHADLO OCCCCCC[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000857075537 1136841633 /nfs/dbraw/zinc/84/16/33/1136841633.db2.gz CNWRVFRQGKLHCH-ZDUSSCGKSA-N 1 2 336.220 3.898 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000818195759 1136865607 /nfs/dbraw/zinc/86/56/07/1136865607.db2.gz KJSAPIXBPNEWIQ-OALUTQOASA-N 1 2 329.444 3.758 20 0 EHADLO CC(=O)N(c1ccc(NCc2c[nH+]cn2C(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000818216859 1136866451 /nfs/dbraw/zinc/86/64/51/1136866451.db2.gz IXOUGENVBDRXML-IFXJQAMLSA-N 1 2 326.444 3.837 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1N1CCCC1 ZINC001136133161 1136869258 /nfs/dbraw/zinc/86/92/58/1136869258.db2.gz SHGWGBRVNDOMKM-UHFFFAOYSA-N 1 2 346.434 3.654 20 0 EHADLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1Cl ZINC001170914349 1136890706 /nfs/dbraw/zinc/89/07/06/1136890706.db2.gz GJTPACWIMGUMDW-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1Cl ZINC001170914349 1136890708 /nfs/dbraw/zinc/89/07/08/1136890708.db2.gz GJTPACWIMGUMDW-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO Cc1nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(=O)c2ccccc12 ZINC000115512043 1136903240 /nfs/dbraw/zinc/90/32/40/1136903240.db2.gz OGHYRVWUYTYAIS-YJBOKZPZSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(=O)c2ccccc12 ZINC000115512043 1136903242 /nfs/dbraw/zinc/90/32/42/1136903242.db2.gz OGHYRVWUYTYAIS-YJBOKZPZSA-N 1 2 333.435 3.540 20 0 EHADLO CC1CC[NH+]([C@H](CN[C@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845763 1136911191 /nfs/dbraw/zinc/91/11/91/1136911191.db2.gz RQYGCTIXDMNOGF-DLBZAZTESA-N 1 2 344.528 3.911 20 0 EHADLO O=C(CCCc1csc2ccccc12)N[C@H]1CCn2c[nH+]cc21 ZINC000857983367 1136927583 /nfs/dbraw/zinc/92/75/83/1136927583.db2.gz QGRODTQTSGUYTN-HNNXBMFYSA-N 1 2 325.437 3.682 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc2c(s1)-c1ccccc1CC2 ZINC000857990387 1136927865 /nfs/dbraw/zinc/92/78/65/1136927865.db2.gz OSPIDKZXPORZNQ-OAHLLOKOSA-N 1 2 335.432 3.585 20 0 EHADLO Cc1cc(NCCC(=O)Nc2cccc(F)c2C)ccc1[NH+](C)C ZINC000819408027 1136936827 /nfs/dbraw/zinc/93/68/27/1136936827.db2.gz HUQNOIOKIQJIPQ-UHFFFAOYSA-N 1 2 329.419 3.949 20 0 EHADLO CCOc1cc(C[NH2+]Cc2c(F)cc(F)cc2F)c(F)cc1OC ZINC000858168118 1136946167 /nfs/dbraw/zinc/94/61/67/1136946167.db2.gz NOPUVDCOCCZDAO-UHFFFAOYSA-N 1 2 343.320 3.940 20 0 EHADLO CSCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000819545508 1136949509 /nfs/dbraw/zinc/94/95/09/1136949509.db2.gz CEUCIMNFQSBAAG-AWEZNQCLSA-N 1 2 349.544 3.820 20 0 EHADLO CSCC(C)(C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000819545508 1136949512 /nfs/dbraw/zinc/94/95/12/1136949512.db2.gz CEUCIMNFQSBAAG-AWEZNQCLSA-N 1 2 349.544 3.820 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)cn1 ZINC000858222814 1136950624 /nfs/dbraw/zinc/95/06/24/1136950624.db2.gz SIAWOSKCULHDER-VIFPVBQESA-N 1 2 342.187 3.677 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2cc(N(C)C)cc(Cl)[nH+]2)c1 ZINC001170930770 1136951187 /nfs/dbraw/zinc/95/11/87/1136951187.db2.gz MUKKAEKLBBZPOQ-NSHDSACASA-N 1 2 335.835 3.991 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccns1 ZINC000858317320 1136958174 /nfs/dbraw/zinc/95/81/74/1136958174.db2.gz WBCPCMNLETWULZ-SECBINFHSA-N 1 2 340.374 3.899 20 0 EHADLO Cc1cc([C@@H]2CCCN2c2nc(N3Cc4ccccc4C3)cc[nH+]2)no1 ZINC000858340367 1136959727 /nfs/dbraw/zinc/95/97/27/1136959727.db2.gz DTEPOOYIYJBHJL-SFHVURJKSA-N 1 2 347.422 3.635 20 0 EHADLO CC[N@@H+]1CC[C@@H](Nc2nccnc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858467292 1136970300 /nfs/dbraw/zinc/97/03/00/1136970300.db2.gz SFUWQBNFSVGTJT-ZIAGYGMSSA-N 1 2 338.789 3.656 20 0 EHADLO CC[N@H+]1CC[C@@H](Nc2nccnc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858467292 1136970302 /nfs/dbraw/zinc/97/03/02/1136970302.db2.gz SFUWQBNFSVGTJT-ZIAGYGMSSA-N 1 2 338.789 3.656 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858472034 1136971017 /nfs/dbraw/zinc/97/10/17/1136971017.db2.gz WDWXMJZKUMFAQH-HOCLYGCPSA-N 1 2 341.455 3.974 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Cc2ccccc2C)c1C ZINC000858926474 1136997157 /nfs/dbraw/zinc/99/71/57/1136997157.db2.gz HHWPDKXRNQZAQC-AWEZNQCLSA-N 1 2 326.440 3.510 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1C ZINC000858928473 1136997374 /nfs/dbraw/zinc/99/73/74/1136997374.db2.gz WKUKGNNYNVQVAW-SJORKVTESA-N 1 2 342.414 3.656 20 0 EHADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]c(-c2ccccc2)n1 ZINC001170953510 1137003533 /nfs/dbraw/zinc/00/35/33/1137003533.db2.gz GAZOACGTHFFLAW-HOTGVXAUSA-N 1 2 325.412 3.596 20 0 EHADLO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1c(F)cccc1F ZINC000821312001 1137022013 /nfs/dbraw/zinc/02/20/13/1137022013.db2.gz SLBLAECYKTZVHQ-AUYAEMIRSA-N 1 2 339.407 3.950 20 0 EHADLO CCCC[C@@H](O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136460936 1137031105 /nfs/dbraw/zinc/03/11/05/1137031105.db2.gz RZESMOPYDOPPJD-CQSZACIVSA-N 1 2 335.835 3.796 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000860189571 1137048471 /nfs/dbraw/zinc/04/84/71/1137048471.db2.gz VMLLRDIJUMHQCG-PEGIJTEDSA-N 1 2 331.243 3.550 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000860189571 1137048472 /nfs/dbraw/zinc/04/84/72/1137048472.db2.gz VMLLRDIJUMHQCG-PEGIJTEDSA-N 1 2 331.243 3.550 20 0 EHADLO Cc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1C(F)(F)F ZINC000860684438 1137072870 /nfs/dbraw/zinc/07/28/70/1137072870.db2.gz VKZICEKCLNIPFO-UHFFFAOYSA-N 1 2 326.318 3.537 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000822757610 1137073429 /nfs/dbraw/zinc/07/34/29/1137073429.db2.gz HPVVVFRFESQWBA-SFTDATJTSA-N 1 2 334.463 3.702 20 0 EHADLO CCCCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H](C)CC ZINC001136636435 1137076712 /nfs/dbraw/zinc/07/67/12/1137076712.db2.gz ACKZQGCCYMKNDT-LPHOPBHVSA-N 1 2 332.488 3.697 20 0 EHADLO CCCCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H](C)CC ZINC001136636435 1137076713 /nfs/dbraw/zinc/07/67/13/1137076713.db2.gz ACKZQGCCYMKNDT-LPHOPBHVSA-N 1 2 332.488 3.697 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000822985714 1137082305 /nfs/dbraw/zinc/08/23/05/1137082305.db2.gz PKRAXVXRQLPEBC-HNHYXYPQSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC000822985714 1137082307 /nfs/dbraw/zinc/08/23/07/1137082307.db2.gz PKRAXVXRQLPEBC-HNHYXYPQSA-N 1 2 330.255 3.526 20 0 EHADLO Cc1cc(CNC(=O)c2cnc(CCC(F)(F)F)s2)cc(C)[nH+]1 ZINC000823058024 1137084363 /nfs/dbraw/zinc/08/43/63/1137084363.db2.gz WKUBVFSYNQVZHZ-UHFFFAOYSA-N 1 2 343.374 3.580 20 0 EHADLO Cc1ccn([C@H](C)CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)n1 ZINC000823353083 1137095896 /nfs/dbraw/zinc/09/58/96/1137095896.db2.gz KXYMSWUQVFLSQC-CYBMUJFWSA-N 1 2 337.427 3.788 20 0 EHADLO CC[N@@H+](Cc1ccnc(Cl)c1F)C[C@H]1COc2ccccc2O1 ZINC000823386734 1137097578 /nfs/dbraw/zinc/09/75/78/1137097578.db2.gz LDTDLTPNYBIPRG-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO CC[N@H+](Cc1ccnc(Cl)c1F)C[C@H]1COc2ccccc2O1 ZINC000823386734 1137097580 /nfs/dbraw/zinc/09/75/80/1137097580.db2.gz LDTDLTPNYBIPRG-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO C[C@H]1C[C@@H](C[N@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823442049 1137099728 /nfs/dbraw/zinc/09/97/28/1137099728.db2.gz CNKDSYZNRYZABS-STQMWFEESA-N 1 2 332.435 3.752 20 0 EHADLO C[C@H]1C[C@@H](C[N@@H+](CC(F)F)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000823442049 1137099730 /nfs/dbraw/zinc/09/97/30/1137099730.db2.gz CNKDSYZNRYZABS-STQMWFEESA-N 1 2 332.435 3.752 20 0 EHADLO COc1ccc(-n2cc(CNc3ccc([NH+](C)C)cc3C)cn2)cc1 ZINC000823495726 1137102783 /nfs/dbraw/zinc/10/27/83/1137102783.db2.gz XQUGDFAMEOZEKA-UHFFFAOYSA-N 1 2 336.439 3.867 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)cc2OCCC(C)C)n1 ZINC000824017859 1137122989 /nfs/dbraw/zinc/12/29/89/1137122989.db2.gz JRKZHHSFQDHSPW-UHFFFAOYSA-N 1 2 330.476 3.630 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862239505 1137134180 /nfs/dbraw/zinc/13/41/80/1137134180.db2.gz AYCVIJJMFLKGNZ-CYBMUJFWSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862239505 1137134181 /nfs/dbraw/zinc/13/41/81/1137134181.db2.gz AYCVIJJMFLKGNZ-CYBMUJFWSA-N 1 2 346.418 3.744 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1)C1CCC1 ZINC001136864706 1137134784 /nfs/dbraw/zinc/13/47/84/1137134784.db2.gz AVKZHYARBOZIQT-CQSZACIVSA-N 1 2 345.874 3.702 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1)C1CCC1 ZINC001136864706 1137134785 /nfs/dbraw/zinc/13/47/85/1137134785.db2.gz AVKZHYARBOZIQT-CQSZACIVSA-N 1 2 345.874 3.702 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 ZINC001136872780 1137137272 /nfs/dbraw/zinc/13/72/72/1137137272.db2.gz CNWAZAMSISBCAU-UHFFFAOYSA-N 1 2 337.427 3.517 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1C ZINC000173452393 1137137906 /nfs/dbraw/zinc/13/79/06/1137137906.db2.gz WHASBKKKOOYURA-GFCCVEGCSA-N 1 2 334.407 3.886 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1C ZINC000173452393 1137137907 /nfs/dbraw/zinc/13/79/07/1137137907.db2.gz WHASBKKKOOYURA-GFCCVEGCSA-N 1 2 334.407 3.886 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1Br ZINC000862336381 1137138683 /nfs/dbraw/zinc/13/86/83/1137138683.db2.gz CXFIMHVGZWWRHJ-UHFFFAOYSA-N 1 2 347.260 3.686 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1Br ZINC000862336381 1137138685 /nfs/dbraw/zinc/13/86/85/1137138685.db2.gz CXFIMHVGZWWRHJ-UHFFFAOYSA-N 1 2 347.260 3.686 20 0 EHADLO Cc1[nH]c(CN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)[nH+]c1C ZINC000862378445 1137141518 /nfs/dbraw/zinc/14/15/18/1137141518.db2.gz CSGLBPOOCQLENA-SECBINFHSA-N 1 2 332.757 3.945 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC001171058699 1137141667 /nfs/dbraw/zinc/14/16/67/1137141667.db2.gz ZEIIGFDLBBZWRE-ZNMIVQPWSA-N 1 2 325.493 3.679 20 0 EHADLO CC(C)c1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(O)c(C(C)C)c1 ZINC001136892678 1137141726 /nfs/dbraw/zinc/14/17/26/1137141726.db2.gz HNTVZANJHQOAIF-HNNXBMFYSA-N 1 2 343.471 3.902 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)cc1F ZINC000862541181 1137149259 /nfs/dbraw/zinc/14/92/59/1137149259.db2.gz NOBANMSJEKHPOO-LBPRGKRZSA-N 1 2 337.341 3.808 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)cc1F ZINC000862541181 1137149260 /nfs/dbraw/zinc/14/92/60/1137149260.db2.gz NOBANMSJEKHPOO-LBPRGKRZSA-N 1 2 337.341 3.808 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)cc1F ZINC000862541845 1137149315 /nfs/dbraw/zinc/14/93/15/1137149315.db2.gz XWACPUFJFHYCIQ-NSHDSACASA-N 1 2 343.324 3.566 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)cc1F ZINC000862541845 1137149317 /nfs/dbraw/zinc/14/93/17/1137149317.db2.gz XWACPUFJFHYCIQ-NSHDSACASA-N 1 2 343.324 3.566 20 0 EHADLO Fc1cccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC001136958134 1137156894 /nfs/dbraw/zinc/15/68/94/1137156894.db2.gz ZSVQSKUTJPDXFE-UHFFFAOYSA-N 1 2 327.428 3.758 20 0 EHADLO Cc1cccn2c(C[N@@H+]3CCc4ncc(C(F)(F)F)cc4C3)cnc12 ZINC001136964446 1137157813 /nfs/dbraw/zinc/15/78/13/1137157813.db2.gz RVQRIXRRGYDKSW-UHFFFAOYSA-N 1 2 346.356 3.615 20 0 EHADLO Cc1cccn2c(C[N@H+]3CCc4ncc(C(F)(F)F)cc4C3)cnc12 ZINC001136964446 1137157815 /nfs/dbraw/zinc/15/78/15/1137157815.db2.gz RVQRIXRRGYDKSW-UHFFFAOYSA-N 1 2 346.356 3.615 20 0 EHADLO Cc1cc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c(C)o1 ZINC000825072590 1137164643 /nfs/dbraw/zinc/16/46/43/1137164643.db2.gz JFHOOFGENOALNY-UHFFFAOYSA-N 1 2 331.416 3.928 20 0 EHADLO CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc2cc[nH]c21 ZINC000825278924 1137171286 /nfs/dbraw/zinc/17/12/86/1137171286.db2.gz LAWSYOPBJJBNFA-CYBMUJFWSA-N 1 2 336.317 3.521 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnc([C@H](C)O)s2)c2ccco2)cc1 ZINC000825316902 1137172685 /nfs/dbraw/zinc/17/26/85/1137172685.db2.gz XYAWFBIORITQOC-YVEFUNNKSA-N 1 2 344.436 3.677 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000863268771 1137178841 /nfs/dbraw/zinc/17/88/41/1137178841.db2.gz JDWNCYASVVPSDT-UKRRQHHQSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000863268771 1137178843 /nfs/dbraw/zinc/17/88/43/1137178843.db2.gz JDWNCYASVVPSDT-UKRRQHHQSA-N 1 2 342.361 3.802 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC000863275260 1137179045 /nfs/dbraw/zinc/17/90/45/1137179045.db2.gz YYIPFMCBZRAHTL-RWMBFGLXSA-N 1 2 344.471 3.605 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341767 1137181555 /nfs/dbraw/zinc/18/15/55/1137181555.db2.gz UQTILDMGYDAHRG-SFAKSCPVSA-N 1 2 329.473 3.638 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000863341767 1137181557 /nfs/dbraw/zinc/18/15/57/1137181557.db2.gz UQTILDMGYDAHRG-SFAKSCPVSA-N 1 2 329.473 3.638 20 0 EHADLO Cc1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001143676686 1137188570 /nfs/dbraw/zinc/18/85/70/1137188570.db2.gz NMGJNGKRJQJMRN-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO C[NH2+]c1ccc(NCc2ccc(OC(=O)C3CC3)c(OC)c2)cc1 ZINC000863481643 1137188762 /nfs/dbraw/zinc/18/87/62/1137188762.db2.gz LBBKVUAGXMXGDV-UHFFFAOYSA-N 1 2 326.396 3.664 20 0 EHADLO Cn1ncc2c1C[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)CC2 ZINC001143707044 1137192493 /nfs/dbraw/zinc/19/24/93/1137192493.db2.gz YFMOHOQKQDTDIY-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO Cn1ncc2c1C[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)CC2 ZINC001143707044 1137192495 /nfs/dbraw/zinc/19/24/95/1137192495.db2.gz YFMOHOQKQDTDIY-UHFFFAOYSA-N 1 2 345.752 3.530 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143768031 1137196943 /nfs/dbraw/zinc/19/69/43/1137196943.db2.gz VGLROSSJVVIXSP-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143768031 1137196944 /nfs/dbraw/zinc/19/69/44/1137196944.db2.gz VGLROSSJVVIXSP-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105223 1137198842 /nfs/dbraw/zinc/19/88/42/1137198842.db2.gz QEMCCJUVDVNXSK-HOTGVXAUSA-N 1 2 341.854 3.857 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)[C@@H](C)C1 ZINC001143824669 1137201976 /nfs/dbraw/zinc/20/19/76/1137201976.db2.gz MLCOIQXXCOYRRZ-VHSXEESVSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)[C@@H](C)C1 ZINC001143824669 1137201977 /nfs/dbraw/zinc/20/19/77/1137201977.db2.gz MLCOIQXXCOYRRZ-VHSXEESVSA-N 1 2 334.204 3.727 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3Br)C[C@H]12 ZINC001143824490 1137201992 /nfs/dbraw/zinc/20/19/92/1137201992.db2.gz FXWIODHSBVXWFH-ZJUUUORDSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3Br)C[C@H]12 ZINC001143824490 1137201993 /nfs/dbraw/zinc/20/19/93/1137201993.db2.gz FXWIODHSBVXWFH-ZJUUUORDSA-N 1 2 344.199 3.528 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2ccccc2c(Cl)n1)c1nnc2ccccn21 ZINC000794570392 1137208252 /nfs/dbraw/zinc/20/82/52/1137208252.db2.gz QXVMTDOYAAQVII-GFCCVEGCSA-N 1 2 337.814 3.782 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ccc(F)cc1OC(F)F)n1cc[nH+]c1 ZINC000844414377 1137219061 /nfs/dbraw/zinc/21/90/61/1137219061.db2.gz GLCNMYUJOIGQEU-QWRGUYRKSA-N 1 2 342.317 3.879 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@H](O)c1ccccc1 ZINC000794614800 1137220948 /nfs/dbraw/zinc/22/09/48/1137220948.db2.gz SUGURQZPMMPZPF-RBUKOAKNSA-N 1 2 343.471 3.965 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c1F ZINC001143984260 1137220947 /nfs/dbraw/zinc/22/09/47/1137220947.db2.gz QXJBHHRSMNTZEL-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c1F ZINC001143984260 1137220949 /nfs/dbraw/zinc/22/09/49/1137220949.db2.gz QXJBHHRSMNTZEL-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000844458050 1137221660 /nfs/dbraw/zinc/22/16/60/1137221660.db2.gz HMZNBGAHRFRZKQ-NEPJUHHUSA-N 1 2 337.217 3.901 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC000794670870 1137222787 /nfs/dbraw/zinc/22/27/87/1137222787.db2.gz CSUUCEIRZOGUQV-MRXNPFEDSA-N 1 2 339.892 3.557 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC000794670870 1137222789 /nfs/dbraw/zinc/22/27/89/1137222789.db2.gz CSUUCEIRZOGUQV-MRXNPFEDSA-N 1 2 339.892 3.557 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439190 1137223026 /nfs/dbraw/zinc/22/30/26/1137223026.db2.gz OMHJSMASCQUTOO-BONVTDFDSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439190 1137223027 /nfs/dbraw/zinc/22/30/27/1137223027.db2.gz OMHJSMASCQUTOO-BONVTDFDSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440909 1137223525 /nfs/dbraw/zinc/22/35/25/1137223525.db2.gz WKTQRZKYQZMZQB-NHYWBVRUSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440909 1137223526 /nfs/dbraw/zinc/22/35/26/1137223526.db2.gz WKTQRZKYQZMZQB-NHYWBVRUSA-N 1 2 328.790 3.788 20 0 EHADLO CO[C@]1(C)CCC[N@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000794653666 1137223910 /nfs/dbraw/zinc/22/39/10/1137223910.db2.gz DVJAUWSURQYNQQ-MRXNPFEDSA-N 1 2 335.498 3.799 20 0 EHADLO CO[C@]1(C)CCC[N@@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000794653666 1137223912 /nfs/dbraw/zinc/22/39/12/1137223912.db2.gz DVJAUWSURQYNQQ-MRXNPFEDSA-N 1 2 335.498 3.799 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654548 1137224117 /nfs/dbraw/zinc/22/41/17/1137224117.db2.gz CZMPCUQOUBVQNE-MNOVXSKESA-N 1 2 329.391 3.939 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654548 1137224118 /nfs/dbraw/zinc/22/41/18/1137224118.db2.gz CZMPCUQOUBVQNE-MNOVXSKESA-N 1 2 329.391 3.939 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654547 1137224136 /nfs/dbraw/zinc/22/41/36/1137224136.db2.gz CZMPCUQOUBVQNE-GHMZBOCLSA-N 1 2 329.391 3.939 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654547 1137224137 /nfs/dbraw/zinc/22/41/37/1137224137.db2.gz CZMPCUQOUBVQNE-GHMZBOCLSA-N 1 2 329.391 3.939 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794682652 1137226203 /nfs/dbraw/zinc/22/62/03/1137226203.db2.gz BANUQBLDIBTPJI-AWEZNQCLSA-N 1 2 346.500 3.880 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794682652 1137226204 /nfs/dbraw/zinc/22/62/04/1137226204.db2.gz BANUQBLDIBTPJI-AWEZNQCLSA-N 1 2 346.500 3.880 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1)n1cc[nH+]c1 ZINC000844470646 1137227026 /nfs/dbraw/zinc/22/70/26/1137227026.db2.gz PGGNQKJDXXLIMP-ZDUSSCGKSA-N 1 2 348.397 3.741 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1F ZINC001144019930 1137229177 /nfs/dbraw/zinc/22/91/77/1137229177.db2.gz ZDYIGFKOZCAGLZ-UHFFFAOYSA-N 1 2 346.421 3.994 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138160 1137243034 /nfs/dbraw/zinc/24/30/34/1137243034.db2.gz QWHQTQXDVMFPCV-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144138160 1137243035 /nfs/dbraw/zinc/24/30/35/1137243035.db2.gz QWHQTQXDVMFPCV-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1([C@@H]2CCCCO2)CCC1 ZINC000864728424 1137243293 /nfs/dbraw/zinc/24/32/93/1137243293.db2.gz KMRCRVOLJJOZCB-KRWDZBQOSA-N 1 2 325.412 3.550 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1(C)CC1 ZINC000753110724 1137243678 /nfs/dbraw/zinc/24/36/78/1137243678.db2.gz MWWYYCXUHXDMTJ-LBPRGKRZSA-N 1 2 334.464 3.835 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1(C)CC1 ZINC000753110724 1137243680 /nfs/dbraw/zinc/24/36/80/1137243680.db2.gz MWWYYCXUHXDMTJ-LBPRGKRZSA-N 1 2 334.464 3.835 20 0 EHADLO Oc1cccc(C2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)c1 ZINC001144200908 1137250407 /nfs/dbraw/zinc/25/04/07/1137250407.db2.gz PYPDWYWNBCPIBH-UHFFFAOYSA-N 1 2 325.387 3.787 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(F)c2F)n1 ZINC000864977218 1137256304 /nfs/dbraw/zinc/25/63/04/1137256304.db2.gz RBUHWIKZZFFOID-UHFFFAOYSA-N 1 2 339.411 3.824 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865066070 1137261276 /nfs/dbraw/zinc/26/12/76/1137261276.db2.gz ZMUVDQLHUHZHOF-AATRIKPKSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(SC(F)F)cc1 ZINC000845070195 1137273573 /nfs/dbraw/zinc/27/35/73/1137273573.db2.gz SWFMOTLZFPSGRF-UHFFFAOYSA-N 1 2 337.395 3.715 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1cn(C)nc1Br ZINC000865293379 1137275107 /nfs/dbraw/zinc/27/51/07/1137275107.db2.gz IKOPKXBYJAFUBG-UHFFFAOYSA-N 1 2 348.248 3.725 20 0 EHADLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144378371 1137279225 /nfs/dbraw/zinc/27/92/25/1137279225.db2.gz IAAIXVUWPVBJCM-RISCZKNCSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)sc1C ZINC001144378371 1137279226 /nfs/dbraw/zinc/27/92/26/1137279226.db2.gz IAAIXVUWPVBJCM-RISCZKNCSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865401894 1137279802 /nfs/dbraw/zinc/27/98/02/1137279802.db2.gz CMOCDCAUMYFBSM-UHFFFAOYSA-N 1 2 338.238 3.734 20 0 EHADLO CCCn1cc(C[NH2+][C@H](C)c2cc3cccc(OCC)c3o2)nn1 ZINC000865404929 1137280182 /nfs/dbraw/zinc/28/01/82/1137280182.db2.gz AFOOVUUHYQPFDU-CYBMUJFWSA-N 1 2 328.416 3.684 20 0 EHADLO C[C@H](CC(=O)OCc1ccccc1OCC(F)(F)F)n1cc[nH+]c1 ZINC000845280484 1137283140 /nfs/dbraw/zinc/28/31/40/1137283140.db2.gz CLYMYNXXHDRCQN-GFCCVEGCSA-N 1 2 342.317 3.519 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2)n1cc[nH+]c1 ZINC000845277925 1137283164 /nfs/dbraw/zinc/28/31/64/1137283164.db2.gz KVLDNZJHZRGSSH-GQYGNMKRSA-N 1 2 344.455 3.551 20 0 EHADLO C[C@H](CC(=O)OCCOc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845280657 1137283178 /nfs/dbraw/zinc/28/31/78/1137283178.db2.gz WDCWLNYOACZKAO-LLVKDONJSA-N 1 2 343.210 3.763 20 0 EHADLO Cc1c2ccccc2sc1C(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277444 1137283217 /nfs/dbraw/zinc/28/32/17/1137283217.db2.gz MVRHAXPNWCRYNR-GFCCVEGCSA-N 1 2 342.420 3.783 20 0 EHADLO Cc1oc(-c2cccs2)nc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277203 1137283278 /nfs/dbraw/zinc/28/32/78/1137283278.db2.gz MJEADNCZSCFRBF-LLVKDONJSA-N 1 2 331.397 3.603 20 0 EHADLO C[C@H](CC(=O)OCc1cccc(C(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000845286978 1137283484 /nfs/dbraw/zinc/28/34/84/1137283484.db2.gz YLRYWRAEFOSLBW-CQSZACIVSA-N 1 2 344.411 3.533 20 0 EHADLO Fc1ccc(OC2C[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)cc1F ZINC001144414359 1137287639 /nfs/dbraw/zinc/28/76/39/1137287639.db2.gz CVVLRSKVPSKCSC-UHFFFAOYSA-N 1 2 349.768 3.758 20 0 EHADLO C[NH+](C)c1ccc(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000865496308 1137288813 /nfs/dbraw/zinc/28/88/13/1137288813.db2.gz UZMHSDCJSSOXCL-ZDUSSCGKSA-N 1 2 343.418 3.713 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845507658 1137295874 /nfs/dbraw/zinc/29/58/74/1137295874.db2.gz CROJPGLMVQNZRA-ZDUSSCGKSA-N 1 2 347.484 3.955 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)c2nccn21 ZINC000865591762 1137297482 /nfs/dbraw/zinc/29/74/82/1137297482.db2.gz KXPPLWNFWFSOJU-SKDRFNHKSA-N 1 2 329.297 3.716 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@H]1CC2CCC1CC2 ZINC000845754371 1137308626 /nfs/dbraw/zinc/30/86/26/1137308626.db2.gz AGXJKSZKJQWGMS-VLMYXLFRSA-N 1 2 344.503 3.524 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000845754058 1137308658 /nfs/dbraw/zinc/30/86/58/1137308658.db2.gz RZOMOASVQITGPD-GASCZTMLSA-N 1 2 346.377 3.730 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)c(F)c1 ZINC001144559179 1137309812 /nfs/dbraw/zinc/30/98/12/1137309812.db2.gz KSCGOAWEAACKLC-UHFFFAOYSA-N 1 2 343.377 3.857 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3)c(F)cc1Br ZINC001144591429 1137313796 /nfs/dbraw/zinc/31/37/96/1137313796.db2.gz ZDGJBKHTURSDCH-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3)c(F)cc1Br ZINC001144591429 1137313798 /nfs/dbraw/zinc/31/37/98/1137313798.db2.gz ZDGJBKHTURSDCH-HNNXBMFYSA-N 1 2 328.225 3.652 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC001144610347 1137317039 /nfs/dbraw/zinc/31/70/39/1137317039.db2.gz VIHAUBFEGHZESH-GFCCVEGCSA-N 1 2 347.256 3.800 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC001144610347 1137317041 /nfs/dbraw/zinc/31/70/41/1137317041.db2.gz VIHAUBFEGHZESH-GFCCVEGCSA-N 1 2 347.256 3.800 20 0 EHADLO c1nn(C2CCN(Cc3[nH+]cn4ccccc34)CC2)c2ccccc12 ZINC001144624702 1137317583 /nfs/dbraw/zinc/31/75/83/1137317583.db2.gz QTRDSMHPRJKAMZ-UHFFFAOYSA-N 1 2 331.423 3.521 20 0 EHADLO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144647221 1137322314 /nfs/dbraw/zinc/32/23/14/1137322314.db2.gz DASCIRQJSNLGKG-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144647221 1137322316 /nfs/dbraw/zinc/32/23/16/1137322316.db2.gz DASCIRQJSNLGKG-UHFFFAOYSA-N 1 2 349.377 3.626 20 0 EHADLO COC1(c2ccccc2)CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144659511 1137326994 /nfs/dbraw/zinc/32/69/94/1137326994.db2.gz LJHZYCITEUXEAA-UHFFFAOYSA-N 1 2 333.378 3.808 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)c1nnnn1C1CC1 ZINC000866153523 1137331912 /nfs/dbraw/zinc/33/19/12/1137331912.db2.gz CCXAECSDZDWMTC-MRVPVSSYSA-N 1 2 332.770 3.522 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000846111467 1137333469 /nfs/dbraw/zinc/33/34/69/1137333469.db2.gz PLFQMDZOUUOKLC-TXEJJXNPSA-N 1 2 331.790 3.834 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000846111467 1137333470 /nfs/dbraw/zinc/33/34/70/1137333470.db2.gz PLFQMDZOUUOKLC-TXEJJXNPSA-N 1 2 331.790 3.834 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2c(ccnc2Cl)o1 ZINC000866214881 1137335780 /nfs/dbraw/zinc/33/57/80/1137335780.db2.gz HGYVGQGJHPBEDU-LLVKDONJSA-N 1 2 345.834 3.650 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)n1 ZINC001144729592 1137337694 /nfs/dbraw/zinc/33/76/94/1137337694.db2.gz RTSSMZBADKXPTK-UHFFFAOYSA-N 1 2 327.762 3.689 20 0 EHADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000866237299 1137337729 /nfs/dbraw/zinc/33/77/29/1137337729.db2.gz IZJAKRQRMLWAIW-YLJYHZDGSA-N 1 2 341.430 3.633 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc([S@@](C)=O)cc1 ZINC000866310329 1137344155 /nfs/dbraw/zinc/34/41/55/1137344155.db2.gz MQIIJGRYSIDBRV-MEPUWYDMSA-N 1 2 333.428 3.546 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000866329024 1137346204 /nfs/dbraw/zinc/34/62/04/1137346204.db2.gz AFTULCIOBHORMS-BZSNNMDCSA-N 1 2 330.497 3.609 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)s1 ZINC000866360827 1137349341 /nfs/dbraw/zinc/34/93/41/1137349341.db2.gz GQOBJVFZCHYHSV-KRWDZBQOSA-N 1 2 338.480 3.959 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846664670 1137361112 /nfs/dbraw/zinc/36/11/12/1137361112.db2.gz MHFIFXASVAMPRE-CRAIPNDOSA-N 1 2 345.393 3.580 20 0 EHADLO C/C(=C/c1ccco1)C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000846767262 1137364389 /nfs/dbraw/zinc/36/43/89/1137364389.db2.gz PTDAFSOVIXVOPR-PFONDFGASA-N 1 2 329.396 3.579 20 0 EHADLO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(OC)c1OC ZINC000866567704 1137365660 /nfs/dbraw/zinc/36/56/60/1137365660.db2.gz MMHSOGCQWYEVNT-CYBMUJFWSA-N 1 2 339.386 3.616 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)o1 ZINC000846918294 1137375047 /nfs/dbraw/zinc/37/50/47/1137375047.db2.gz QTCRFSNGCQVPDF-UHFFFAOYSA-N 1 2 335.835 3.890 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3cccc(Cl)n3)CC2)c1 ZINC000846919243 1137375384 /nfs/dbraw/zinc/37/53/84/1137375384.db2.gz XJJLKKIWUGTNSO-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846952316 1137378543 /nfs/dbraw/zinc/37/85/43/1137378543.db2.gz MHRJIRRKSHUKPY-LSDHHAIUSA-N 1 2 330.472 3.828 20 0 EHADLO CCOC(C[N@H+](CC)[C@H](C)c1nc(-c2ccccc2)no1)OCC ZINC000846969905 1137379948 /nfs/dbraw/zinc/37/99/48/1137379948.db2.gz OTTRSCOBELMLJD-CQSZACIVSA-N 1 2 333.432 3.519 20 0 EHADLO CCOC(C[N@@H+](CC)[C@H](C)c1nc(-c2ccccc2)no1)OCC ZINC000846969905 1137379949 /nfs/dbraw/zinc/37/99/49/1137379949.db2.gz OTTRSCOBELMLJD-CQSZACIVSA-N 1 2 333.432 3.519 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ncc1Cl ZINC000121711543 1137382429 /nfs/dbraw/zinc/38/24/29/1137382429.db2.gz UCWVMRCQGKJVRP-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000867844209 1137387948 /nfs/dbraw/zinc/38/79/48/1137387948.db2.gz VAEZDOSILBXAHQ-NVXWUHKLSA-N 1 2 343.446 3.534 20 0 EHADLO CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001146709907 1137393442 /nfs/dbraw/zinc/39/34/42/1137393442.db2.gz LVOWWNHUNJODJH-OXQOHEQNSA-N 1 2 325.456 3.602 20 0 EHADLO CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001146709907 1137393443 /nfs/dbraw/zinc/39/34/43/1137393443.db2.gz LVOWWNHUNJODJH-OXQOHEQNSA-N 1 2 325.456 3.602 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)s1 ZINC001147256354 1137402846 /nfs/dbraw/zinc/40/28/46/1137402846.db2.gz AVOOHYFFZQGXPO-IBGZPJMESA-N 1 2 332.513 3.701 20 0 EHADLO Cn1c[nH+]cc1CC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC001148642848 1137429546 /nfs/dbraw/zinc/42/95/46/1137429546.db2.gz LACDTHLUYQKLKG-UHFFFAOYSA-N 1 2 337.427 3.525 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2ncc[nH]2)cc1 ZINC001148710980 1137431615 /nfs/dbraw/zinc/43/16/15/1137431615.db2.gz KSIXUQZWFLKGCS-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C(c1ccccc1)c1ccccc1 ZINC001148936818 1137438192 /nfs/dbraw/zinc/43/81/92/1137438192.db2.gz HWNOLOLOSRCZCU-UHFFFAOYSA-N 1 2 333.435 3.980 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000348117192 1137442433 /nfs/dbraw/zinc/44/24/33/1137442433.db2.gz CDKVPXOVQGTMGH-MRXNPFEDSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(Nc1cc(F)cc(F)c1F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000348117192 1137442434 /nfs/dbraw/zinc/44/24/34/1137442434.db2.gz CDKVPXOVQGTMGH-MRXNPFEDSA-N 1 2 334.341 3.707 20 0 EHADLO Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3c3ncc[nH]3)s2)cn1 ZINC000282769077 1137447270 /nfs/dbraw/zinc/44/72/70/1137447270.db2.gz JHHMBRUNAFDASY-HNNXBMFYSA-N 1 2 327.457 3.599 20 0 EHADLO Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3c3ncc[nH]3)s2)cn1 ZINC000282769077 1137447272 /nfs/dbraw/zinc/44/72/72/1137447272.db2.gz JHHMBRUNAFDASY-HNNXBMFYSA-N 1 2 327.457 3.599 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282771644 1137447498 /nfs/dbraw/zinc/44/74/98/1137447498.db2.gz HUTCJMPVSZOITQ-INIZCTEOSA-N 1 2 338.455 3.939 20 0 EHADLO C=Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282773634 1137447871 /nfs/dbraw/zinc/44/78/71/1137447871.db2.gz LRUYQRCLORPPMW-GOSISDBHSA-N 1 2 335.451 3.882 20 0 EHADLO CC(C)[N@H+](CCC(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000348141208 1137448389 /nfs/dbraw/zinc/44/83/89/1137448389.db2.gz UPAJLIUINTTXGF-UHFFFAOYSA-N 1 2 349.434 3.819 20 0 EHADLO CC(C)[N@@H+](CCC(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000348141208 1137448390 /nfs/dbraw/zinc/44/83/90/1137448390.db2.gz UPAJLIUINTTXGF-UHFFFAOYSA-N 1 2 349.434 3.819 20 0 EHADLO O=C(OCc1coc(C2CC2)n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000869410556 1137450248 /nfs/dbraw/zinc/45/02/48/1137450248.db2.gz MBCJYRBXQSMDGO-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1coc(C2CC2)n1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000869410556 1137450249 /nfs/dbraw/zinc/45/02/49/1137450249.db2.gz MBCJYRBXQSMDGO-GOSISDBHSA-N 1 2 340.423 3.650 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349229 1137455996 /nfs/dbraw/zinc/45/59/96/1137455996.db2.gz GUCCPVKAIHLSOL-YJBOKZPZSA-N 1 2 337.410 3.534 20 0 EHADLO CN(C)c1cc(COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc[nH+]1 ZINC000869599567 1137458812 /nfs/dbraw/zinc/45/88/12/1137458812.db2.gz RIOLRJTWBGIAKG-OLZOCXBDSA-N 1 2 330.350 3.560 20 0 EHADLO COc1cc(C[NH2+]Cc2ncc(Br)s2)ccc1Cl ZINC000714931717 1137474317 /nfs/dbraw/zinc/47/43/17/1137474317.db2.gz SAPZIFIISXZLDX-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO COc1ccc(C)cc1C[NH2+]Cc1ncc(Br)s1 ZINC000714928602 1137474350 /nfs/dbraw/zinc/47/43/50/1137474350.db2.gz CRFJNYMTCRQUGA-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@@H](CC(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1)n1cc[nH+]c1 ZINC000870014356 1137475138 /nfs/dbraw/zinc/47/51/38/1137475138.db2.gz HZPKKFNEXJUAOJ-NSHDSACASA-N 1 2 346.818 3.680 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000870247032 1137483326 /nfs/dbraw/zinc/48/33/26/1137483326.db2.gz UTCQJUWWAVVGLD-QWHCGFSZSA-N 1 2 326.318 3.746 20 0 EHADLO c1nc2cccc(CNc3cc[nH+]c(OCc4ccccn4)c3)c2o1 ZINC001171457597 1137490433 /nfs/dbraw/zinc/49/04/33/1137490433.db2.gz IPIQYTFCNGFXNF-UHFFFAOYSA-N 1 2 332.363 3.809 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171461613 1137490662 /nfs/dbraw/zinc/49/06/62/1137490662.db2.gz ZVRVXZKQXJNXFI-CYBMUJFWSA-N 1 2 325.399 3.532 20 0 EHADLO COc1cccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1Cl ZINC001171734059 1137510114 /nfs/dbraw/zinc/51/01/14/1137510114.db2.gz AXKCDHUUPVJPHS-SFHVURJKSA-N 1 2 344.886 3.707 20 0 EHADLO COc1cccc(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1Cl ZINC001171734059 1137510116 /nfs/dbraw/zinc/51/01/16/1137510116.db2.gz AXKCDHUUPVJPHS-SFHVURJKSA-N 1 2 344.886 3.707 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)CC2 ZINC001171820631 1137511773 /nfs/dbraw/zinc/51/17/73/1137511773.db2.gz QPLBNMCQSSLEBG-UHFFFAOYSA-N 1 2 343.858 3.855 20 0 EHADLO CC(C)c1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(Cl)cn1)CC2 ZINC001171820631 1137511774 /nfs/dbraw/zinc/51/17/74/1137511774.db2.gz QPLBNMCQSSLEBG-UHFFFAOYSA-N 1 2 343.858 3.855 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000871080030 1137521907 /nfs/dbraw/zinc/52/19/07/1137521907.db2.gz KJSSCJSCUOZPAA-FXAWDEMLSA-N 1 2 325.456 3.766 20 0 EHADLO Cc1ccc(C[S@@](=O)Cc2noc3c2CC(C)(C)CC3)c(C)[nH+]1 ZINC000871611188 1137549112 /nfs/dbraw/zinc/54/91/12/1137549112.db2.gz NWAPPYJHGQJPSW-HSZRJFAPSA-N 1 2 332.469 3.650 20 0 EHADLO CCCCn1c(SC[C@H]2C[C@@H](OC)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000871627256 1137549994 /nfs/dbraw/zinc/54/99/94/1137549994.db2.gz FKQROSOYWVERIA-QLFBSQMISA-N 1 2 340.537 3.608 20 0 EHADLO [NH3+][C@@H](c1nc(C2CCCCC2)no1)c1cccc(Br)c1 ZINC000871780092 1137558065 /nfs/dbraw/zinc/55/80/65/1137558065.db2.gz KBGUJPQBZITWIG-CYBMUJFWSA-N 1 2 336.233 3.928 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)(C)C)s1)C(=O)Nc1ccc(C)cc1 ZINC000871874179 1137561592 /nfs/dbraw/zinc/56/15/92/1137561592.db2.gz HAYORRQICFYWSP-CQSZACIVSA-N 1 2 346.500 3.651 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1cc(O)ccc1F)O[C@@H](C)C2 ZINC000872020497 1137565072 /nfs/dbraw/zinc/56/50/72/1137565072.db2.gz HLVDBDTZVKAOKM-NWDGAFQWSA-N 1 2 331.387 3.714 20 0 EHADLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cc(O)ccc1F ZINC000872082962 1137570354 /nfs/dbraw/zinc/57/03/54/1137570354.db2.gz FGKVEXCFTJTTRZ-AUUYWEPGSA-N 1 2 339.414 3.899 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093444 1137570829 /nfs/dbraw/zinc/57/08/29/1137570829.db2.gz VVXUKOPGWXXTML-YGRLFVJLSA-N 1 2 343.320 3.934 20 0 EHADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000872120602 1137572587 /nfs/dbraw/zinc/57/25/87/1137572587.db2.gz DDIOSFGRJDINMX-LLVKDONJSA-N 1 2 328.441 3.915 20 0 EHADLO [NH3+][C@H](c1nc(CCC(F)(F)F)no1)c1cccc(C(F)(F)F)c1 ZINC000872172912 1137575209 /nfs/dbraw/zinc/57/52/09/1137575209.db2.gz HXPWAZJIILDCDN-JTQLQIEISA-N 1 2 339.239 3.631 20 0 EHADLO COC[C@@]1(c2nc(CCCc3ccccc3Cl)no2)CCCC[NH2+]1 ZINC000872174154 1137575294 /nfs/dbraw/zinc/57/52/94/1137575294.db2.gz FUVLENVUHGXIKQ-GOSISDBHSA-N 1 2 349.862 3.514 20 0 EHADLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137059212 1137579113 /nfs/dbraw/zinc/57/91/13/1137579113.db2.gz RBSWGLINFVZMNA-UHFFFAOYSA-N 1 2 347.434 3.796 20 0 EHADLO Clc1nc2sccc2c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000872413186 1137579788 /nfs/dbraw/zinc/57/97/88/1137579788.db2.gz VDSXFYHOIWHZBA-UHFFFAOYSA-N 1 2 345.859 3.821 20 0 EHADLO Cc1cncc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000124151126 1137581672 /nfs/dbraw/zinc/58/16/72/1137581672.db2.gz FJTYJOZXXZDDSU-GORDUTHDSA-N 1 2 338.798 3.881 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000872746416 1137583602 /nfs/dbraw/zinc/58/36/02/1137583602.db2.gz GLNHCVVHKPEXPI-ZDUSSCGKSA-N 1 2 341.480 3.605 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000872746416 1137583603 /nfs/dbraw/zinc/58/36/03/1137583603.db2.gz GLNHCVVHKPEXPI-ZDUSSCGKSA-N 1 2 341.480 3.605 20 0 EHADLO CCOC1CC2(C[C@@H]2Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000872775628 1137584199 /nfs/dbraw/zinc/58/41/99/1137584199.db2.gz GJWIEJLRRKXYMF-QNNTWYEPSA-N 1 2 326.375 3.620 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CN2C(=O)C[C@@H]2c2ccccc2)c1 ZINC000124386247 1137589673 /nfs/dbraw/zinc/58/96/73/1137589673.db2.gz HDRKFMKHFWJNEM-HXUWFJFHSA-N 1 2 338.451 3.837 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CN2C(=O)C[C@@H]2c2ccccc2)c1 ZINC000124386247 1137589674 /nfs/dbraw/zinc/58/96/74/1137589674.db2.gz HDRKFMKHFWJNEM-HXUWFJFHSA-N 1 2 338.451 3.837 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000873168787 1137592182 /nfs/dbraw/zinc/59/21/82/1137592182.db2.gz FXEPESGVAJAREM-UHFFFAOYSA-N 1 2 344.720 3.772 20 0 EHADLO CCCn1nccc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873175397 1137592516 /nfs/dbraw/zinc/59/25/16/1137592516.db2.gz IWRASUZGXNEWIR-UHFFFAOYSA-N 1 2 332.354 3.516 20 0 EHADLO COc1cc(Cl)c(F)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000888627168 1137604700 /nfs/dbraw/zinc/60/47/00/1137604700.db2.gz WTCIRTKSKWUBGW-AWEZNQCLSA-N 1 2 339.798 3.910 20 0 EHADLO CC(C)c1nsc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000874697017 1137621528 /nfs/dbraw/zinc/62/15/28/1137621528.db2.gz WXANNDDZKUULAU-GFCCVEGCSA-N 1 2 338.864 3.556 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H]2c2cccn2C)c1Br ZINC000876546507 1137655205 /nfs/dbraw/zinc/65/52/05/1137655205.db2.gz XYWDLGIXCWJCQZ-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1Br ZINC000876546507 1137655206 /nfs/dbraw/zinc/65/52/06/1137655206.db2.gz XYWDLGIXCWJCQZ-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(C)c(N3CCOC3=O)c2)c1C ZINC000876836673 1137663184 /nfs/dbraw/zinc/66/31/84/1137663184.db2.gz GHUNLMQIOGOSBI-UHFFFAOYSA-N 1 2 341.411 3.584 20 0 EHADLO C[C@H](CCOCc1ccccc1)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000876853431 1137663691 /nfs/dbraw/zinc/66/36/91/1137663691.db2.gz KWKYFNNPNTWHOZ-QGZVFWFLSA-N 1 2 328.456 3.522 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCO[C@H](C)C3)cc2)c1C ZINC000876866065 1137664158 /nfs/dbraw/zinc/66/41/58/1137664158.db2.gz MYAUYTHFSUKISH-OAHLLOKOSA-N 1 2 341.455 3.544 20 0 EHADLO Clc1csc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)n1 ZINC000876938747 1137665697 /nfs/dbraw/zinc/66/56/97/1137665697.db2.gz AQEFZQPMPLUUPJ-UHFFFAOYSA-N 1 2 336.892 3.862 20 0 EHADLO COCCCOc1cc(C)ccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877105696 1137670277 /nfs/dbraw/zinc/67/02/77/1137670277.db2.gz RHGVWUDDKDDFPV-UHFFFAOYSA-N 1 2 340.876 3.810 20 0 EHADLO COc1cc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c(Cl)cc1O ZINC000877376421 1137674947 /nfs/dbraw/zinc/67/49/47/1137674947.db2.gz RYDPFZSHPKBORG-HNNXBMFYSA-N 1 2 349.862 3.999 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1 ZINC000877531149 1137679992 /nfs/dbraw/zinc/67/99/92/1137679992.db2.gz MWQRDEFPXJLCRK-CYBMUJFWSA-N 1 2 338.860 3.969 20 0 EHADLO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000877534182 1137680164 /nfs/dbraw/zinc/68/01/64/1137680164.db2.gz APQAKFRNZRBEOQ-UHFFFAOYSA-N 1 2 334.851 3.630 20 0 EHADLO Clc1nccc2oc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)cc21 ZINC000877536404 1137680393 /nfs/dbraw/zinc/68/03/93/1137680393.db2.gz OOTTXNMKCSUIIE-UHFFFAOYSA-N 1 2 342.782 3.855 20 0 EHADLO Clc1nccc2oc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)cc21 ZINC000877536404 1137680394 /nfs/dbraw/zinc/68/03/94/1137680394.db2.gz OOTTXNMKCSUIIE-UHFFFAOYSA-N 1 2 342.782 3.855 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877565805 1137681357 /nfs/dbraw/zinc/68/13/57/1137681357.db2.gz RDQRGBCVCQYQLN-GFCCVEGCSA-N 1 2 347.684 3.744 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877565805 1137681358 /nfs/dbraw/zinc/68/13/58/1137681358.db2.gz RDQRGBCVCQYQLN-GFCCVEGCSA-N 1 2 347.684 3.744 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000877806942 1137690572 /nfs/dbraw/zinc/69/05/72/1137690572.db2.gz MCUZGBTWCIBPFU-UHFFFAOYSA-N 1 2 349.715 3.586 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CC3)o2)c1 ZINC000877894435 1137694513 /nfs/dbraw/zinc/69/45/13/1137694513.db2.gz MWOSTAWNOOXNCW-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)o2)c1 ZINC000877894435 1137694514 /nfs/dbraw/zinc/69/45/14/1137694514.db2.gz MWOSTAWNOOXNCW-UHFFFAOYSA-N 1 2 339.370 3.746 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)n1 ZINC000877910028 1137695199 /nfs/dbraw/zinc/69/51/99/1137695199.db2.gz RBHPCVONJCZHEF-AWEZNQCLSA-N 1 2 326.396 3.620 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)n1 ZINC000877910028 1137695200 /nfs/dbraw/zinc/69/52/00/1137695200.db2.gz RBHPCVONJCZHEF-AWEZNQCLSA-N 1 2 326.396 3.620 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000877975630 1137698028 /nfs/dbraw/zinc/69/80/28/1137698028.db2.gz BATKMLPJHCJJMG-ZIAGYGMSSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000877975630 1137698029 /nfs/dbraw/zinc/69/80/29/1137698029.db2.gz BATKMLPJHCJJMG-ZIAGYGMSSA-N 1 2 346.862 3.578 20 0 EHADLO c1cc2c(c([C@@H]3CCC[N@H+]3Cc3nc4c(o3)CCCC4)c1)OCCO2 ZINC000878043585 1137700526 /nfs/dbraw/zinc/70/05/26/1137700526.db2.gz YUXCJUPLQFFOOT-INIZCTEOSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(c([C@@H]3CCC[N@@H+]3Cc3nc4c(o3)CCCC4)c1)OCCO2 ZINC000878043585 1137700527 /nfs/dbraw/zinc/70/05/27/1137700527.db2.gz YUXCJUPLQFFOOT-INIZCTEOSA-N 1 2 340.423 3.662 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000878138330 1137704068 /nfs/dbraw/zinc/70/40/68/1137704068.db2.gz FDONEGCJNYAWCS-DYVFJYSZSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000878138330 1137704069 /nfs/dbraw/zinc/70/40/69/1137704069.db2.gz FDONEGCJNYAWCS-DYVFJYSZSA-N 1 2 327.403 3.551 20 0 EHADLO COC(C)(C)C[N@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878189466 1137706474 /nfs/dbraw/zinc/70/64/74/1137706474.db2.gz ZWYBAYYPCVGFQE-UHFFFAOYSA-N 1 2 344.242 3.900 20 0 EHADLO COC(C)(C)C[N@@H+](C)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878189466 1137706475 /nfs/dbraw/zinc/70/64/75/1137706475.db2.gz ZWYBAYYPCVGFQE-UHFFFAOYSA-N 1 2 344.242 3.900 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1F ZINC000878189767 1137706484 /nfs/dbraw/zinc/70/64/84/1137706484.db2.gz BZKZMWXNNKEYHF-YJBOKZPZSA-N 1 2 345.414 3.970 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1F ZINC000878189767 1137706485 /nfs/dbraw/zinc/70/64/85/1137706485.db2.gz BZKZMWXNNKEYHF-YJBOKZPZSA-N 1 2 345.414 3.970 20 0 EHADLO CO[C@H]1C[C@@H](C[N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000878236816 1137708166 /nfs/dbraw/zinc/70/81/66/1137708166.db2.gz AIVCPTCUPTXRNO-TXEJJXNPSA-N 1 2 349.272 3.714 20 0 EHADLO CO[C@H]1C[C@@H](C[N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000878236816 1137708167 /nfs/dbraw/zinc/70/81/67/1137708167.db2.gz AIVCPTCUPTXRNO-TXEJJXNPSA-N 1 2 349.272 3.714 20 0 EHADLO COC(=O)c1ccc(OC)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000878260735 1137708787 /nfs/dbraw/zinc/70/87/87/1137708787.db2.gz BCROERFOOPIYJI-UHFFFAOYSA-N 1 2 348.468 3.580 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)c1 ZINC000878356130 1137712349 /nfs/dbraw/zinc/71/23/49/1137712349.db2.gz MYALQKMOTQHKQI-ZDUSSCGKSA-N 1 2 339.395 3.692 20 0 EHADLO Cc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)nc1Cl ZINC000878438596 1137716021 /nfs/dbraw/zinc/71/60/21/1137716021.db2.gz CVPKRYDQXCAWGR-AWEZNQCLSA-N 1 2 336.785 3.569 20 0 EHADLO O[C@H](C[N@@H+]1CCc2ncsc2C1)c1ccc(Cl)c(Cl)c1 ZINC000878481288 1137717449 /nfs/dbraw/zinc/71/74/49/1137717449.db2.gz NHJBZEBVTXRZFX-CYBMUJFWSA-N 1 2 329.252 3.542 20 0 EHADLO O[C@H](C[N@H+]1CCc2ncsc2C1)c1ccc(Cl)c(Cl)c1 ZINC000878481288 1137717450 /nfs/dbraw/zinc/71/74/50/1137717450.db2.gz NHJBZEBVTXRZFX-CYBMUJFWSA-N 1 2 329.252 3.542 20 0 EHADLO CC1(C)CCc2onc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c2C1 ZINC000878631504 1137723180 /nfs/dbraw/zinc/72/31/80/1137723180.db2.gz HCAMSUVLUFMWBV-ROUUACIJSA-N 1 2 330.472 3.723 20 0 EHADLO CC1(C)CCc2onc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c2C1 ZINC000878631504 1137723181 /nfs/dbraw/zinc/72/31/81/1137723181.db2.gz HCAMSUVLUFMWBV-ROUUACIJSA-N 1 2 330.472 3.723 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000878803734 1137728603 /nfs/dbraw/zinc/72/86/03/1137728603.db2.gz GCEKQVHNSVKXHH-GJZGRUSLSA-N 1 2 338.879 3.865 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000878803734 1137728604 /nfs/dbraw/zinc/72/86/04/1137728604.db2.gz GCEKQVHNSVKXHH-GJZGRUSLSA-N 1 2 338.879 3.865 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1c1[nH+]ccc2cc(F)ccc21 ZINC000826080324 1137730831 /nfs/dbraw/zinc/73/08/31/1137730831.db2.gz VMBPOUKXAIFSHV-LRDDRELGSA-N 1 2 345.418 3.866 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC12CCC2 ZINC000879033022 1137735983 /nfs/dbraw/zinc/73/59/83/1137735983.db2.gz HMTBJIYTCUCVOQ-QGZVFWFLSA-N 1 2 334.423 3.666 20 0 EHADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000879038866 1137736102 /nfs/dbraw/zinc/73/61/02/1137736102.db2.gz ZHEDVQBMILDEAO-MNOVXSKESA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC000879038866 1137736103 /nfs/dbraw/zinc/73/61/03/1137736103.db2.gz ZHEDVQBMILDEAO-MNOVXSKESA-N 1 2 330.881 3.596 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)[C@H]2CCC[C@H]21 ZINC000879055625 1137736561 /nfs/dbraw/zinc/73/65/61/1137736561.db2.gz JGRQZOBZVFMNQP-RWSFTLGLSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)[C@H]2CCC[C@H]21 ZINC000879055625 1137736562 /nfs/dbraw/zinc/73/65/62/1137736562.db2.gz JGRQZOBZVFMNQP-RWSFTLGLSA-N 1 2 343.254 3.552 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC(C)(C)CC(F)(F)F)[nH+]c12 ZINC000879057863 1137736580 /nfs/dbraw/zinc/73/65/80/1137736580.db2.gz DNJXKYKZCZCGKD-UHFFFAOYSA-N 1 2 341.377 3.670 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244878 1137742358 /nfs/dbraw/zinc/74/23/58/1137742358.db2.gz UIIAAVQQRFQOPC-PKOBYXMFSA-N 1 2 341.455 3.815 20 0 EHADLO O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000879244878 1137742359 /nfs/dbraw/zinc/74/23/59/1137742359.db2.gz UIIAAVQQRFQOPC-PKOBYXMFSA-N 1 2 341.455 3.815 20 0 EHADLO Clc1cccnc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552944 1137750555 /nfs/dbraw/zinc/75/05/55/1137750555.db2.gz QQKHRDOJAQITEJ-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO c1nc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)oc1C1CC1 ZINC000879552258 1137750645 /nfs/dbraw/zinc/75/06/45/1137750645.db2.gz VIDZWUNLTWINOB-UHFFFAOYSA-N 1 2 328.416 3.582 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000879605307 1137752186 /nfs/dbraw/zinc/75/21/86/1137752186.db2.gz IVZIPCHCLZGNPR-PKOBYXMFSA-N 1 2 339.439 3.737 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636915 1137752957 /nfs/dbraw/zinc/75/29/57/1137752957.db2.gz SCMDWCTUMIWZOI-HIFRSBDPSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)CCO2)cc1 ZINC000879636915 1137752958 /nfs/dbraw/zinc/75/29/58/1137752958.db2.gz SCMDWCTUMIWZOI-HIFRSBDPSA-N 1 2 330.255 3.652 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccnn1C ZINC000879683610 1137755223 /nfs/dbraw/zinc/75/52/23/1137755223.db2.gz BHVHLZLVAHDWSW-GHMZBOCLSA-N 1 2 331.807 3.535 20 0 EHADLO c1nc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)oc1-c1ccccc1 ZINC000879689664 1137755400 /nfs/dbraw/zinc/75/54/00/1137755400.db2.gz SONKDSVZOYCPSH-SFHVURJKSA-N 1 2 346.434 3.721 20 0 EHADLO c1nc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)oc1-c1ccccc1 ZINC000879689664 1137755401 /nfs/dbraw/zinc/75/54/01/1137755401.db2.gz SONKDSVZOYCPSH-SFHVURJKSA-N 1 2 346.434 3.721 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(F)(F)CC3)ccc21 ZINC000879716175 1137756441 /nfs/dbraw/zinc/75/64/41/1137756441.db2.gz FINPPBUJCIOHEB-UHFFFAOYSA-N 1 2 334.370 3.564 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@](C)(C(F)(F)F)C3)o2)c(C)o1 ZINC000880001120 1137764400 /nfs/dbraw/zinc/76/44/00/1137764400.db2.gz QNYYYEPVIIOKJT-AWEZNQCLSA-N 1 2 329.322 3.721 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC[C@](C)(C(F)(F)F)C3)o2)c(C)o1 ZINC000880001120 1137764401 /nfs/dbraw/zinc/76/44/01/1137764401.db2.gz QNYYYEPVIIOKJT-AWEZNQCLSA-N 1 2 329.322 3.721 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)s1 ZINC000880102729 1137768219 /nfs/dbraw/zinc/76/82/19/1137768219.db2.gz JKGWXFFYJWOIJI-VIFPVBQESA-N 1 2 330.379 3.926 20 0 EHADLO FC[C@H]1CCC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000880238018 1137771873 /nfs/dbraw/zinc/77/18/73/1137771873.db2.gz MVDQPOJJFLLMSG-SNVBAGLBSA-N 1 2 327.762 3.711 20 0 EHADLO FC[C@H]1CCC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000880238018 1137771874 /nfs/dbraw/zinc/77/18/74/1137771874.db2.gz MVDQPOJJFLLMSG-SNVBAGLBSA-N 1 2 327.762 3.711 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3nccs3)C2)sc1Br ZINC000880322408 1137775156 /nfs/dbraw/zinc/77/51/56/1137775156.db2.gz GBZNFIFEFQBGTF-SECBINFHSA-N 1 2 344.303 3.660 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3nccs3)C2)sc1Br ZINC000880322408 1137775157 /nfs/dbraw/zinc/77/51/57/1137775157.db2.gz GBZNFIFEFQBGTF-SECBINFHSA-N 1 2 344.303 3.660 20 0 EHADLO Cc1cccc2c(CN3CC[C@H]([NH+]4CCCCC4)C(F)(F)C3)[nH]nc21 ZINC001137152262 1137776107 /nfs/dbraw/zinc/77/61/07/1137776107.db2.gz LMIWGZGBXOHWIV-KRWDZBQOSA-N 1 2 348.441 3.567 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387634 1137777549 /nfs/dbraw/zinc/77/75/49/1137777549.db2.gz KWQLGEZPJGUNIU-MRXNPFEDSA-N 1 2 330.501 3.713 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387634 1137777550 /nfs/dbraw/zinc/77/75/50/1137777550.db2.gz KWQLGEZPJGUNIU-MRXNPFEDSA-N 1 2 330.501 3.713 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC3(CCCCO3)CC2)no1 ZINC000880457520 1137779197 /nfs/dbraw/zinc/77/91/97/1137779197.db2.gz QTHIXTWEQHLINK-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H](CO)c1ccccc1 ZINC000880460483 1137779350 /nfs/dbraw/zinc/77/93/50/1137779350.db2.gz VZUHDNICEDNYDN-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H](CO)c1ccccc1 ZINC000880460483 1137779351 /nfs/dbraw/zinc/77/93/51/1137779351.db2.gz VZUHDNICEDNYDN-GOSISDBHSA-N 1 2 337.423 3.601 20 0 EHADLO CCOC[C@H]1C[N@H+](Cc2cc(C)cs2)Cc2ncn(CC3CC3)c21 ZINC001137154848 1137779892 /nfs/dbraw/zinc/77/98/92/1137779892.db2.gz VXLQZMJVCNJXCR-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)cs2)Cc2ncn(CC3CC3)c21 ZINC001137154848 1137779893 /nfs/dbraw/zinc/77/98/93/1137779893.db2.gz VXLQZMJVCNJXCR-MRXNPFEDSA-N 1 2 345.512 3.799 20 0 EHADLO CC(C)c1nnc(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)s1 ZINC000880554475 1137781182 /nfs/dbraw/zinc/78/11/82/1137781182.db2.gz BOTMYKWQBRPNBH-HNNXBMFYSA-N 1 2 328.485 3.646 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)s1 ZINC000880554475 1137781183 /nfs/dbraw/zinc/78/11/83/1137781183.db2.gz BOTMYKWQBRPNBH-HNNXBMFYSA-N 1 2 328.485 3.646 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@@H](C)CC2)nc1-c1ccncc1 ZINC000128772656 1137798997 /nfs/dbraw/zinc/79/89/97/1137798997.db2.gz MTWBAEWOAMRNGC-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@@H](C)CC2)nc1-c1ccncc1 ZINC000128772656 1137798998 /nfs/dbraw/zinc/79/89/98/1137798998.db2.gz MTWBAEWOAMRNGC-OAHLLOKOSA-N 1 2 345.516 3.966 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000881663353 1137813449 /nfs/dbraw/zinc/81/34/49/1137813449.db2.gz ZBVWNBRSFBQTJS-HNNXBMFYSA-N 1 2 331.847 3.790 20 0 EHADLO CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000881663353 1137813450 /nfs/dbraw/zinc/81/34/50/1137813450.db2.gz ZBVWNBRSFBQTJS-HNNXBMFYSA-N 1 2 331.847 3.790 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904481 1137820755 /nfs/dbraw/zinc/82/07/55/1137820755.db2.gz MLQNJFJUPAFUOC-OALUTQOASA-N 1 2 325.456 3.896 20 0 EHADLO C[C@H](CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000882220991 1137823823 /nfs/dbraw/zinc/82/38/23/1137823823.db2.gz QHHVXIAZRXJBGO-GFCCVEGCSA-N 1 2 339.361 3.905 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882571985 1137829701 /nfs/dbraw/zinc/82/97/01/1137829701.db2.gz UBUMKFDQCCXXAR-AWEZNQCLSA-N 1 2 329.297 3.875 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882573980 1137829797 /nfs/dbraw/zinc/82/97/97/1137829797.db2.gz KHJVBVSCFZVOEK-BXUZGUMPSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000882873658 1137836402 /nfs/dbraw/zinc/83/64/02/1137836402.db2.gz GXJFJFXLLQSRJW-NHCUHLMSSA-N 1 2 345.446 3.861 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000626155102 1137840149 /nfs/dbraw/zinc/84/01/49/1137840149.db2.gz FSJKIHTYKBSYMA-QGZVFWFLSA-N 1 2 335.517 3.681 20 0 EHADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000626155102 1137840150 /nfs/dbraw/zinc/84/01/50/1137840150.db2.gz FSJKIHTYKBSYMA-QGZVFWFLSA-N 1 2 335.517 3.681 20 0 EHADLO CC(C)n1c2ccccc2[nH+]c1NCc1ccc2c(c1)oc(=O)n2C ZINC000883214266 1137848997 /nfs/dbraw/zinc/84/89/97/1137848997.db2.gz BLKPASIEJVAUSB-UHFFFAOYSA-N 1 2 336.395 3.674 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 ZINC000348225726 1137850232 /nfs/dbraw/zinc/85/02/32/1137850232.db2.gz CENCVPGJMIZREM-JFRXWTBNSA-N 1 2 332.488 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 ZINC000348225726 1137850233 /nfs/dbraw/zinc/85/02/33/1137850233.db2.gz CENCVPGJMIZREM-JFRXWTBNSA-N 1 2 332.488 3.532 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000883259136 1137851077 /nfs/dbraw/zinc/85/10/77/1137851077.db2.gz COJJCWKUZXPVQE-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO COc1ccc([C@H](C)[NH2+]C2(c3ncccn3)CCC2)c(C)c1OC ZINC000883311864 1137854052 /nfs/dbraw/zinc/85/40/52/1137854052.db2.gz MWSNSMRLYCWJGW-AWEZNQCLSA-N 1 2 327.428 3.532 20 0 EHADLO COc1cc(CNc2c[nH+]c(C)c(C)c2)cc(Br)c1O ZINC000883342061 1137856005 /nfs/dbraw/zinc/85/60/05/1137856005.db2.gz JKVFCHAQQCBGSC-UHFFFAOYSA-N 1 2 337.217 3.787 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883383135 1137858498 /nfs/dbraw/zinc/85/84/98/1137858498.db2.gz UBWVYLSERVJFFB-QUCCMNQESA-N 1 2 345.414 3.793 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1CSc1nc(N)cc(C)[nH+]1 ZINC000027577159 1137859758 /nfs/dbraw/zinc/85/97/58/1137859758.db2.gz SQLVRRPMGSCWBB-UHFFFAOYSA-N 1 2 345.859 3.807 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000282837526 1137871556 /nfs/dbraw/zinc/87/15/56/1137871556.db2.gz ZTAYOJORNFWNCF-UHFFFAOYSA-N 1 2 328.460 3.644 20 0 EHADLO CCCC[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000103180353 1137875370 /nfs/dbraw/zinc/87/53/70/1137875370.db2.gz RHSDRAKECYQXFN-YJBOKZPZSA-N 1 2 344.459 3.511 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)s1 ZINC000103305654 1137875947 /nfs/dbraw/zinc/87/59/47/1137875947.db2.gz DHTAJOJFPFSQQH-CYBMUJFWSA-N 1 2 332.473 3.669 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCc4cccc(C)c4C3)nc(N)c2c1C ZINC000429560460 1137884091 /nfs/dbraw/zinc/88/40/91/1137884091.db2.gz NJSSOBIFWTVVOW-UHFFFAOYSA-N 1 2 338.480 3.757 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCc4cccc(C)c4C3)nc(N)c2c1C ZINC000429560460 1137884092 /nfs/dbraw/zinc/88/40/92/1137884092.db2.gz NJSSOBIFWTVVOW-UHFFFAOYSA-N 1 2 338.480 3.757 20 0 EHADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000883983301 1137887155 /nfs/dbraw/zinc/88/71/55/1137887155.db2.gz YQTHZATZVMMWRJ-IUODEOHRSA-N 1 2 349.356 3.660 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2nc3c(s2)CCCC3)c(C)[nH+]1 ZINC000331410621 1137893524 /nfs/dbraw/zinc/89/35/24/1137893524.db2.gz NISFMWLHGDNAEO-UHFFFAOYSA-N 1 2 344.484 3.706 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756248 1137897074 /nfs/dbraw/zinc/89/70/74/1137897074.db2.gz IYYOGFDYDKBIOM-YPMHNXCESA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756248 1137897075 /nfs/dbraw/zinc/89/70/75/1137897075.db2.gz IYYOGFDYDKBIOM-YPMHNXCESA-N 1 2 346.374 3.599 20 0 EHADLO O=C(CC[C@@H]1CCCCO1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000110261583 1137900200 /nfs/dbraw/zinc/90/02/00/1137900200.db2.gz CQVYEOREROQRIK-AWEZNQCLSA-N 1 2 333.819 3.814 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111901657 1137906032 /nfs/dbraw/zinc/90/60/32/1137906032.db2.gz FGBOBPRMBDDDJQ-RTBURBONSA-N 1 2 338.455 3.566 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000112536100 1137908433 /nfs/dbraw/zinc/90/84/33/1137908433.db2.gz BYAOUJBXQRSDSK-NXEZZACHSA-N 1 2 329.322 3.731 20 0 EHADLO Cc1ccc2c(Nc3ccc(S(C)(=O)=O)cc3C)cccc2[nH+]1 ZINC001212798726 1137912759 /nfs/dbraw/zinc/91/27/59/1137912759.db2.gz PNUBECVSNVKQEM-UHFFFAOYSA-N 1 2 326.421 3.999 20 0 EHADLO COc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(OC)c1OC ZINC000116374037 1137925582 /nfs/dbraw/zinc/92/55/82/1137925582.db2.gz IGBXITZULRWKNL-UHFFFAOYSA-N 1 2 348.468 3.728 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)o1 ZINC000116893607 1137927992 /nfs/dbraw/zinc/92/79/92/1137927992.db2.gz ZTIQKJOUMFSHSZ-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2Cl)o1 ZINC000116893607 1137927993 /nfs/dbraw/zinc/92/79/93/1137927993.db2.gz ZTIQKJOUMFSHSZ-INIZCTEOSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332156284 1137933846 /nfs/dbraw/zinc/93/38/46/1137933846.db2.gz NYWVMQLASPENPT-CVEARBPZSA-N 1 2 326.444 3.677 20 0 EHADLO CC(C)[C@@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccc(F)cc1 ZINC000118848331 1137935914 /nfs/dbraw/zinc/93/59/14/1137935914.db2.gz VKJYRFHQSKXDPC-MRXNPFEDSA-N 1 2 349.475 3.620 20 0 EHADLO CCc1noc(C)c1C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000119203773 1137939130 /nfs/dbraw/zinc/93/91/30/1137939130.db2.gz JCUJCUZWRBUSGW-KRWDZBQOSA-N 1 2 344.455 3.735 20 0 EHADLO CCc1noc(C)c1C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000119203773 1137939131 /nfs/dbraw/zinc/93/91/31/1137939131.db2.gz JCUJCUZWRBUSGW-KRWDZBQOSA-N 1 2 344.455 3.735 20 0 EHADLO C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332347167 1137940888 /nfs/dbraw/zinc/94/08/88/1137940888.db2.gz UBYWCNARKZLXTC-LSDHHAIUSA-N 1 2 332.492 3.576 20 0 EHADLO CCCCC1CCC(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000332411221 1137943149 /nfs/dbraw/zinc/94/31/49/1137943149.db2.gz RGUPXVFQKASTCJ-BXNZUYAZSA-N 1 2 347.503 3.753 20 0 EHADLO CC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000884279247 1137943248 /nfs/dbraw/zinc/94/32/48/1137943248.db2.gz FRQCFSLUVWHZGF-APWZRJJASA-N 1 2 348.450 3.802 20 0 EHADLO CCCCCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)C ZINC000120510763 1137950325 /nfs/dbraw/zinc/95/03/25/1137950325.db2.gz HMPLTMMOPWALLX-UHFFFAOYSA-N 1 2 332.492 3.792 20 0 EHADLO Fc1cc(CNc2ccccc2C[NH+]2CCOCC2)cc(F)c1F ZINC000120941179 1137953747 /nfs/dbraw/zinc/95/37/47/1137953747.db2.gz UXOJBQOGAPXRDX-UHFFFAOYSA-N 1 2 336.357 3.548 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333132607 1137956302 /nfs/dbraw/zinc/95/63/02/1137956302.db2.gz IYIIVIXUFNTIFQ-NVXWUHKLSA-N 1 2 344.503 3.687 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333199048 1137957982 /nfs/dbraw/zinc/95/79/82/1137957982.db2.gz YGEXJIKXTOWJOX-AYBZRNKSSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333199048 1137957983 /nfs/dbraw/zinc/95/79/83/1137957983.db2.gz YGEXJIKXTOWJOX-AYBZRNKSSA-N 1 2 347.503 3.593 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000024754891 1137966526 /nfs/dbraw/zinc/96/65/26/1137966526.db2.gz SVQBHLSWKDDACC-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc2cc(C)ccc2n1 ZINC001137217092 1137987533 /nfs/dbraw/zinc/98/75/33/1137987533.db2.gz JLVXNFIAPLZHFN-DNVCBOLYSA-N 1 2 326.440 3.707 20 0 EHADLO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc2cc(C)ccc2n1 ZINC001137217092 1137987534 /nfs/dbraw/zinc/98/75/34/1137987534.db2.gz JLVXNFIAPLZHFN-DNVCBOLYSA-N 1 2 326.440 3.707 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C3CC3)o2)CC2CC2)c(OC)c1 ZINC000282934729 1137995961 /nfs/dbraw/zinc/99/59/61/1137995961.db2.gz YMRBWOZBXVMLCX-UHFFFAOYSA-N 1 2 342.439 3.981 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C3CC3)o2)CC2CC2)c(OC)c1 ZINC000282934729 1137995963 /nfs/dbraw/zinc/99/59/63/1137995963.db2.gz YMRBWOZBXVMLCX-UHFFFAOYSA-N 1 2 342.439 3.981 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000890260937 1138043681 /nfs/dbraw/zinc/04/36/81/1138043681.db2.gz ORLLRGOVUSRYND-OTWHNJEPSA-N 1 2 338.455 3.599 20 0 EHADLO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000054324962 1138049920 /nfs/dbraw/zinc/04/99/20/1138049920.db2.gz IFPIGMYMZXJEFB-CQSZACIVSA-N 1 2 338.879 3.804 20 0 EHADLO CCc1cccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC000886302048 1138065953 /nfs/dbraw/zinc/06/59/53/1138065953.db2.gz DBWZVUBHPQMWAC-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO CCc1ccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)s1 ZINC000886304200 1138066231 /nfs/dbraw/zinc/06/62/31/1138066231.db2.gz QFJSAPSQPLJOIM-UHFFFAOYSA-N 1 2 331.416 3.713 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H](C)C(C)C ZINC000890266046 1138069948 /nfs/dbraw/zinc/06/99/48/1138069948.db2.gz WYKLGJBSASSQDI-FUHWJXTLSA-N 1 2 328.460 3.700 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000066155374 1138074130 /nfs/dbraw/zinc/07/41/30/1138074130.db2.gz VFPJWWOWDJQHBV-UHFFFAOYSA-N 1 2 332.879 3.614 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000066155374 1138074133 /nfs/dbraw/zinc/07/41/33/1138074133.db2.gz VFPJWWOWDJQHBV-UHFFFAOYSA-N 1 2 332.879 3.614 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000886432240 1138075978 /nfs/dbraw/zinc/07/59/78/1138075978.db2.gz RYFNZSUFXUQUFG-MRXNPFEDSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000886432240 1138075980 /nfs/dbraw/zinc/07/59/80/1138075980.db2.gz RYFNZSUFXUQUFG-MRXNPFEDSA-N 1 2 328.437 3.877 20 0 EHADLO COC(=O)c1cncc([C@@H](C)Nc2ccc([NH+]3CCCC3)cc2)c1 ZINC000886564503 1138097577 /nfs/dbraw/zinc/09/75/77/1138097577.db2.gz ZCLSEEFTHHBUEC-CQSZACIVSA-N 1 2 325.412 3.642 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1nc2ccc(Cl)cc2n1C ZINC000886684829 1138115112 /nfs/dbraw/zinc/11/51/12/1138115112.db2.gz SZRZUGITJBXSNP-JTQLQIEISA-N 1 2 330.819 3.943 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000886798442 1138143386 /nfs/dbraw/zinc/14/33/86/1138143386.db2.gz AXWLKPDSVMYEIN-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886714246 1138123760 /nfs/dbraw/zinc/12/37/60/1138123760.db2.gz GFXHMPDAYHMBBF-SFHVURJKSA-N 1 2 337.398 3.885 20 0 EHADLO Fc1ccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000075997909 1138129592 /nfs/dbraw/zinc/12/95/92/1138129592.db2.gz JYEUNJPRKITURJ-UHFFFAOYSA-N 1 2 329.297 3.650 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000076984367 1138136276 /nfs/dbraw/zinc/13/62/76/1138136276.db2.gz GPPUZKSNFPYSGG-UONOGXRCSA-N 1 2 347.821 3.643 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000886798442 1138143385 /nfs/dbraw/zinc/14/33/85/1138143385.db2.gz AXWLKPDSVMYEIN-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914733 1138164625 /nfs/dbraw/zinc/16/46/25/1138164625.db2.gz PLCGSJRWFXQVIN-OLZOCXBDSA-N 1 2 349.837 3.572 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000080914733 1138164627 /nfs/dbraw/zinc/16/46/27/1138164627.db2.gz PLCGSJRWFXQVIN-OLZOCXBDSA-N 1 2 349.837 3.572 20 0 EHADLO Cc1cccn2cc(C[S@](=O)[C@H](C)c3ncc(C(C)(C)C)o3)[nH+]c12 ZINC000085225755 1138183428 /nfs/dbraw/zinc/18/34/28/1138183428.db2.gz NOOPQSHPBVTWFX-YEBMWUKDSA-N 1 2 345.468 3.938 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cn1 ZINC000090401872 1138210425 /nfs/dbraw/zinc/21/04/25/1138210425.db2.gz GHKGVOPEXHUMAN-CYBMUJFWSA-N 1 2 327.457 3.833 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000091702355 1138220827 /nfs/dbraw/zinc/22/08/27/1138220827.db2.gz TVZGQLXGRXHLAE-MGPUTAFESA-N 1 2 343.446 3.727 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000091702355 1138220830 /nfs/dbraw/zinc/22/08/30/1138220830.db2.gz TVZGQLXGRXHLAE-MGPUTAFESA-N 1 2 343.446 3.727 20 0 EHADLO CCCn1c2ccccc2nc1C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000091834833 1138222351 /nfs/dbraw/zinc/22/23/51/1138222351.db2.gz XHNKUGVBNKYBKW-UHFFFAOYSA-N 1 2 339.443 3.517 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000091856970 1138222877 /nfs/dbraw/zinc/22/28/77/1138222877.db2.gz QTPPRJVLTWOHKW-ZFWWWQNUSA-N 1 2 348.295 3.708 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000091856970 1138222878 /nfs/dbraw/zinc/22/28/78/1138222878.db2.gz QTPPRJVLTWOHKW-ZFWWWQNUSA-N 1 2 348.295 3.708 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012628 1138224200 /nfs/dbraw/zinc/22/42/00/1138224200.db2.gz VINNZOJDYBNHOY-INIZCTEOSA-N 1 2 349.910 3.880 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000092012628 1138224202 /nfs/dbraw/zinc/22/42/02/1138224202.db2.gz VINNZOJDYBNHOY-INIZCTEOSA-N 1 2 349.910 3.880 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000092485968 1138229093 /nfs/dbraw/zinc/22/90/93/1138229093.db2.gz CXCUMADBTXSESN-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cn1 ZINC000092485968 1138229095 /nfs/dbraw/zinc/22/90/95/1138229095.db2.gz CXCUMADBTXSESN-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO Cc1nc(C[N@@H+](C)C2(C(N)=O)CCCC2)oc1-c1ccc(Cl)cc1 ZINC000093213588 1138235021 /nfs/dbraw/zinc/23/50/21/1138235021.db2.gz COOUQEOITZRJBY-UHFFFAOYSA-N 1 2 347.846 3.533 20 0 EHADLO Cc1nc(C[N@H+](C)C2(C(N)=O)CCCC2)oc1-c1ccc(Cl)cc1 ZINC000093213588 1138235023 /nfs/dbraw/zinc/23/50/23/1138235023.db2.gz COOUQEOITZRJBY-UHFFFAOYSA-N 1 2 347.846 3.533 20 0 EHADLO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1OC ZINC000093768951 1138241089 /nfs/dbraw/zinc/24/10/89/1138241089.db2.gz MIKICXDVLAMBCX-CXAGYDPISA-N 1 2 333.453 3.727 20 0 EHADLO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1OC ZINC000093768951 1138241091 /nfs/dbraw/zinc/24/10/91/1138241091.db2.gz MIKICXDVLAMBCX-CXAGYDPISA-N 1 2 333.453 3.727 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnccc1Cl ZINC001137239203 1138242347 /nfs/dbraw/zinc/24/23/47/1138242347.db2.gz LEHOUJGYBWGFBE-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnccc1Cl ZINC001137239203 1138242348 /nfs/dbraw/zinc/24/23/48/1138242348.db2.gz LEHOUJGYBWGFBE-WFASDCNBSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1cnccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121726895 1138249148 /nfs/dbraw/zinc/24/91/48/1138249148.db2.gz SBJVOXKVWKFTQE-RBUKOAKNSA-N 1 2 347.422 3.637 20 0 EHADLO Cc1cc(F)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000122372934 1138257776 /nfs/dbraw/zinc/25/77/76/1138257776.db2.gz HYZNIPZUEPQMDN-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333530054 1138300950 /nfs/dbraw/zinc/30/09/50/1138300950.db2.gz XXEZEZXNRMJPTM-MAUKXSAKSA-N 1 2 344.503 3.687 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)s1 ZINC000125605136 1138312674 /nfs/dbraw/zinc/31/26/74/1138312674.db2.gz VNSFUYZBMMVAHH-AGIUHOORSA-N 1 2 337.876 3.811 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000126040503 1138322523 /nfs/dbraw/zinc/32/25/23/1138322523.db2.gz UEYDIHWKPLRCDB-UHFFFAOYSA-N 1 2 344.459 3.862 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000263691219 1138343953 /nfs/dbraw/zinc/34/39/53/1138343953.db2.gz JULBORMIOOKKRV-CQSZACIVSA-N 1 2 329.469 3.978 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000263691219 1138343955 /nfs/dbraw/zinc/34/39/55/1138343955.db2.gz JULBORMIOOKKRV-CQSZACIVSA-N 1 2 329.469 3.978 20 0 EHADLO Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263750686 1138356276 /nfs/dbraw/zinc/35/62/76/1138356276.db2.gz GNLIVVXYMRJKQM-SFHVURJKSA-N 1 2 338.455 3.575 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127552624 1138362371 /nfs/dbraw/zinc/36/23/71/1138362371.db2.gz UOUMGQOAKHCKJV-WBVHZDCISA-N 1 2 342.443 3.787 20 0 EHADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127983767 1138376781 /nfs/dbraw/zinc/37/67/81/1138376781.db2.gz HLESXYORIMTFKP-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127983767 1138376784 /nfs/dbraw/zinc/37/67/84/1138376784.db2.gz HLESXYORIMTFKP-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000263899205 1138389321 /nfs/dbraw/zinc/38/93/21/1138389321.db2.gz YRSYYCLZGLOLJL-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO COc1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129235192 1138407064 /nfs/dbraw/zinc/40/70/64/1138407064.db2.gz HOHLUQFVLOSASR-LRDDRELGSA-N 1 2 348.834 3.660 20 0 EHADLO C[C@H](c1nnc(SCCF)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000336969917 1138437659 /nfs/dbraw/zinc/43/76/59/1138437659.db2.gz JSJVEVNJBOEQHW-CQSZACIVSA-N 1 2 334.464 3.876 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)s1 ZINC000264210632 1138444227 /nfs/dbraw/zinc/44/42/27/1138444227.db2.gz JBMPSRDSCSSSMK-CQSZACIVSA-N 1 2 330.453 3.702 20 0 EHADLO CCCCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000264219217 1138446426 /nfs/dbraw/zinc/44/64/26/1138446426.db2.gz ISBXMSJOXDKDQN-INIZCTEOSA-N 1 2 345.487 3.876 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000887578666 1138468921 /nfs/dbraw/zinc/46/89/21/1138468921.db2.gz BRJXIVZHBQKRQL-MAUKXSAKSA-N 1 2 325.456 3.631 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000887578666 1138468922 /nfs/dbraw/zinc/46/89/22/1138468922.db2.gz BRJXIVZHBQKRQL-MAUKXSAKSA-N 1 2 325.456 3.631 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccoc1C1CC1 ZINC000337117246 1138470159 /nfs/dbraw/zinc/47/01/59/1138470159.db2.gz ZUKZBUCLEXAEQC-UHFFFAOYSA-N 1 2 344.842 3.599 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccoc1C1CC1 ZINC000337117246 1138470162 /nfs/dbraw/zinc/47/01/62/1138470162.db2.gz ZUKZBUCLEXAEQC-UHFFFAOYSA-N 1 2 344.842 3.599 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337134611 1138475356 /nfs/dbraw/zinc/47/53/56/1138475356.db2.gz CSUMHECXGQOTNO-NVXWUHKLSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337135005 1138475664 /nfs/dbraw/zinc/47/56/64/1138475664.db2.gz NHGOSKOJYDJWID-MDYRTPRTSA-N 1 2 329.488 3.608 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3c(cccc3C)n2)o1 ZINC000130896417 1138482949 /nfs/dbraw/zinc/48/29/49/1138482949.db2.gz JPVIPAKCUMIAEV-KRWDZBQOSA-N 1 2 325.412 3.719 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)o1 ZINC000130896417 1138482951 /nfs/dbraw/zinc/48/29/51/1138482951.db2.gz JPVIPAKCUMIAEV-KRWDZBQOSA-N 1 2 325.412 3.719 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(F)ccc1F ZINC000337177814 1138486910 /nfs/dbraw/zinc/48/69/10/1138486910.db2.gz JVWRJEIMNIZNHO-KRWDZBQOSA-N 1 2 328.366 3.786 20 0 EHADLO FC(F)(F)Oc1ccccc1C1(F)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000337254849 1138510117 /nfs/dbraw/zinc/51/01/17/1138510117.db2.gz QZCSYRJNOKGRNU-UHFFFAOYSA-N 1 2 343.324 3.769 20 0 EHADLO CCSCC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337391471 1138554109 /nfs/dbraw/zinc/55/41/09/1138554109.db2.gz HPRSBXGHUSBYKS-UHFFFAOYSA-N 1 2 349.327 3.685 20 0 EHADLO CCSCC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337391471 1138554112 /nfs/dbraw/zinc/55/41/12/1138554112.db2.gz HPRSBXGHUSBYKS-UHFFFAOYSA-N 1 2 349.327 3.685 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000264562757 1138559550 /nfs/dbraw/zinc/55/95/50/1138559550.db2.gz YELJRECWLUCJLK-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cc(C)cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000337517458 1138592448 /nfs/dbraw/zinc/59/24/48/1138592448.db2.gz RFFOECKCEGDESB-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132958663 1138613256 /nfs/dbraw/zinc/61/32/56/1138613256.db2.gz FLXFQKDZWSVPSF-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132958663 1138613260 /nfs/dbraw/zinc/61/32/60/1138613260.db2.gz FLXFQKDZWSVPSF-ZWKOTPCHSA-N 1 2 345.393 3.840 20 0 EHADLO CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264734959 1138621504 /nfs/dbraw/zinc/62/15/04/1138621504.db2.gz ODSPIZHZGPXVCQ-AWEZNQCLSA-N 1 2 328.416 3.528 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337673746 1138640246 /nfs/dbraw/zinc/64/02/46/1138640246.db2.gz KRUIDZZMPWIWNG-LIRRHRJNSA-N 1 2 349.434 3.642 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337673746 1138640247 /nfs/dbraw/zinc/64/02/47/1138640247.db2.gz KRUIDZZMPWIWNG-LIRRHRJNSA-N 1 2 349.434 3.642 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000337760938 1138661690 /nfs/dbraw/zinc/66/16/90/1138661690.db2.gz ZKHPXJMNQJKDCW-KZNAEPCWSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000337760938 1138661692 /nfs/dbraw/zinc/66/16/92/1138661692.db2.gz ZKHPXJMNQJKDCW-KZNAEPCWSA-N 1 2 344.499 3.554 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1ccncc1F ZINC000337946566 1138704344 /nfs/dbraw/zinc/70/43/44/1138704344.db2.gz ONQKKWRSXWCGLI-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Fc1ccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1F ZINC000135260953 1138738291 /nfs/dbraw/zinc/73/82/91/1138738291.db2.gz KTURBQVWKCFEDT-UHFFFAOYSA-N 1 2 347.287 3.789 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2OC)[C@H](CC)CN1C(C)=O ZINC000338303524 1138825370 /nfs/dbraw/zinc/82/53/70/1138825370.db2.gz HEFUTNSUQCDVNN-HUUCEWRRSA-N 1 2 338.879 3.570 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2OC)[C@H](CC)CN1C(C)=O ZINC000338303524 1138825377 /nfs/dbraw/zinc/82/53/77/1138825377.db2.gz HEFUTNSUQCDVNN-HUUCEWRRSA-N 1 2 338.879 3.570 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCCO[C@H]2CCCCO2)cs1 ZINC000338314202 1138830145 /nfs/dbraw/zinc/83/01/45/1138830145.db2.gz IHEVFCGZYQOGFM-ZBFHGGJFSA-N 1 2 342.505 3.606 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCCO[C@H]2CCCCO2)cs1 ZINC000338314202 1138830149 /nfs/dbraw/zinc/83/01/49/1138830149.db2.gz IHEVFCGZYQOGFM-ZBFHGGJFSA-N 1 2 342.505 3.606 20 0 EHADLO NC(=O)c1cccc(C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338371345 1138866137 /nfs/dbraw/zinc/86/61/37/1138866137.db2.gz ZYGVFOJNRUFXED-GOSISDBHSA-N 1 2 332.806 3.510 20 0 EHADLO NC(=O)c1cccc(C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338371345 1138866150 /nfs/dbraw/zinc/86/61/50/1138866150.db2.gz ZYGVFOJNRUFXED-GOSISDBHSA-N 1 2 332.806 3.510 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000338376392 1138870864 /nfs/dbraw/zinc/87/08/64/1138870864.db2.gz KUWRNNLRTVOZOU-UHFFFAOYSA-N 1 2 346.843 3.768 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000348482757 1138895131 /nfs/dbraw/zinc/89/51/31/1138895131.db2.gz GDMCDXIKBHSNJD-UHFFFAOYSA-N 1 2 349.434 3.597 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000151673363 1139051062 /nfs/dbraw/zinc/05/10/62/1139051062.db2.gz LHHLRLRHPMBAKX-JKIFEVAISA-N 1 2 346.862 3.890 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000888071187 1139070820 /nfs/dbraw/zinc/07/08/20/1139070820.db2.gz HULKIYBVGIDQBC-UHFFFAOYSA-N 1 2 348.406 3.684 20 0 EHADLO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000153012256 1139118121 /nfs/dbraw/zinc/11/81/21/1139118121.db2.gz LSBIKTOYPIIUSC-SFHVURJKSA-N 1 2 342.487 3.671 20 0 EHADLO FC(F)(F)c1nnc(NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000153735127 1139149557 /nfs/dbraw/zinc/14/95/57/1139149557.db2.gz FAUVWTQHMDRGCV-UHFFFAOYSA-N 1 2 343.378 3.554 20 0 EHADLO CN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000889565400 1139236559 /nfs/dbraw/zinc/23/65/59/1139236559.db2.gz HZAZBURXZIEJPE-WKILWMFISA-N 1 2 330.476 3.779 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890269164 1139334997 /nfs/dbraw/zinc/33/49/97/1139334997.db2.gz WLGVZYNYERYODX-ROUUACIJSA-N 1 2 326.444 3.599 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000890400440 1139354916 /nfs/dbraw/zinc/35/49/16/1139354916.db2.gz LQQDDXFYNFRCBR-ROUUACIJSA-N 1 2 340.471 3.566 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccncc1 ZINC000175750352 1139515793 /nfs/dbraw/zinc/51/57/93/1139515793.db2.gz QCPMQJYRIFASFZ-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccncc1 ZINC000175750352 1139515797 /nfs/dbraw/zinc/51/57/97/1139515797.db2.gz QCPMQJYRIFASFZ-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC(C)C1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000176269140 1139548945 /nfs/dbraw/zinc/54/89/45/1139548945.db2.gz NPIZFDINWXXTMK-UHFFFAOYSA-N 1 2 342.443 3.520 20 0 EHADLO C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000177488262 1139622328 /nfs/dbraw/zinc/62/23/28/1139622328.db2.gz VRXYJTDHHICCDI-UCRUJTKLSA-N 1 2 327.403 3.535 20 0 EHADLO CCOc1c(Cl)cc(C[NH2+][C@H](COC)c2ccco2)cc1OC ZINC000177575913 1139626784 /nfs/dbraw/zinc/62/67/84/1139626784.db2.gz FWTMOROSONOPEJ-CQSZACIVSA-N 1 2 339.819 3.818 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](c2ccco2)C1 ZINC000177777143 1139640387 /nfs/dbraw/zinc/64/03/87/1139640387.db2.gz JCRROFHJZQGTRA-HOCLYGCPSA-N 1 2 338.411 3.610 20 0 EHADLO CC[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cc(F)ccc1F ZINC000178129906 1139673074 /nfs/dbraw/zinc/67/30/74/1139673074.db2.gz VEFSFDNWZSRYLV-ROUUACIJSA-N 1 2 332.394 3.835 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000178176461 1139677149 /nfs/dbraw/zinc/67/71/49/1139677149.db2.gz HSYYOYOOWLXPTD-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179194119 1139740817 /nfs/dbraw/zinc/74/08/17/1139740817.db2.gz IMXVUAPFOYVOBC-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](c2ccccc2)C2CC2)c1C ZINC000179687946 1139774981 /nfs/dbraw/zinc/77/49/81/1139774981.db2.gz HZDGCWXQSVMOJZ-IBGZPJMESA-N 1 2 338.451 3.859 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180073967 1139806114 /nfs/dbraw/zinc/80/61/14/1139806114.db2.gz SBSYMGJXBKEALU-INIZCTEOSA-N 1 2 326.375 3.551 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180073967 1139806117 /nfs/dbraw/zinc/80/61/17/1139806117.db2.gz SBSYMGJXBKEALU-INIZCTEOSA-N 1 2 326.375 3.551 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(C(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180639201 1139852996 /nfs/dbraw/zinc/85/29/96/1139852996.db2.gz YCARSTRERSEDIA-OCCSQVGLSA-N 1 2 331.416 3.766 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](Cc2ccccn2)C2CC2)C2CC2)cc1 ZINC000180867560 1139870048 /nfs/dbraw/zinc/87/00/48/1139870048.db2.gz XDCIOIANKDJJPK-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccccn2)C2CC2)C2CC2)cc1 ZINC000180867560 1139870054 /nfs/dbraw/zinc/87/00/54/1139870054.db2.gz XDCIOIANKDJJPK-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000181059876 1139882074 /nfs/dbraw/zinc/88/20/74/1139882074.db2.gz DFEXMQRLTATKRP-UHFFFAOYSA-N 1 2 341.411 3.666 20 0 EHADLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(O)c3)n2)cc1 ZINC000181497939 1139910513 /nfs/dbraw/zinc/91/05/13/1139910513.db2.gz DOXQNUPIAYCNQF-ZDUSSCGKSA-N 1 2 339.395 3.692 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C)n1C ZINC000181719494 1139926933 /nfs/dbraw/zinc/92/69/33/1139926933.db2.gz SQCAZUDCYSZKJM-QGZVFWFLSA-N 1 2 330.476 3.789 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1c(F)cccc1Cl ZINC000181745818 1139928275 /nfs/dbraw/zinc/92/82/75/1139928275.db2.gz KWYGCEUXCGSNBZ-SNVBAGLBSA-N 1 2 326.824 3.508 20 0 EHADLO CC(C)C[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C(C)C ZINC000182403814 1139970131 /nfs/dbraw/zinc/97/01/31/1139970131.db2.gz OTXDMBNTENNDPY-UHFFFAOYSA-N 1 2 332.473 3.657 20 0 EHADLO CC(C)C[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C(C)C ZINC000182403814 1139970133 /nfs/dbraw/zinc/97/01/33/1139970133.db2.gz OTXDMBNTENNDPY-UHFFFAOYSA-N 1 2 332.473 3.657 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182986032 1140005778 /nfs/dbraw/zinc/00/57/78/1140005778.db2.gz FVUCOUBQALZMDH-CQSZACIVSA-N 1 2 341.846 3.568 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182986032 1140005786 /nfs/dbraw/zinc/00/57/86/1140005786.db2.gz FVUCOUBQALZMDH-CQSZACIVSA-N 1 2 341.846 3.568 20 0 EHADLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(F)c(O)c(F)c1 ZINC000183476159 1140040741 /nfs/dbraw/zinc/04/07/41/1140040741.db2.gz BXMNCTOCVFHNGP-UHFFFAOYSA-N 1 2 346.377 3.561 20 0 EHADLO Cc1csc([C@@H]([NH2+]Cc2cc(F)cc3c2OCOC3)C2CC2)n1 ZINC000183548201 1140045369 /nfs/dbraw/zinc/04/53/69/1140045369.db2.gz BGGAJVHXLHGJGD-HNNXBMFYSA-N 1 2 334.416 3.698 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)c(O)c(F)c1 ZINC000184153940 1140084028 /nfs/dbraw/zinc/08/40/28/1140084028.db2.gz ACIRKYOLEKIFRH-UHFFFAOYSA-N 1 2 332.350 3.519 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000184386619 1140099896 /nfs/dbraw/zinc/09/98/96/1140099896.db2.gz XKQFCOCGDLBKEQ-GFCCVEGCSA-N 1 2 336.407 3.545 20 0 EHADLO Cc1c(-c2cc(C[N@H+](C)Cc3ccccc3Cl)on2)cnn1C ZINC000184396070 1140100524 /nfs/dbraw/zinc/10/05/24/1140100524.db2.gz GUYHCNWTQXPPOJ-UHFFFAOYSA-N 1 2 330.819 3.669 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](C)Cc3ccccc3Cl)on2)cnn1C ZINC000184396070 1140100526 /nfs/dbraw/zinc/10/05/26/1140100526.db2.gz GUYHCNWTQXPPOJ-UHFFFAOYSA-N 1 2 330.819 3.669 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(C)o1 ZINC000184731145 1140117604 /nfs/dbraw/zinc/11/76/04/1140117604.db2.gz ZJMKCKRDODWANP-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ncc(-c2ccccc2)o1 ZINC000184899083 1140124682 /nfs/dbraw/zinc/12/46/82/1140124682.db2.gz YUEUDFGCGWHUKA-CKDBGZEDSA-N 1 2 341.455 3.687 20 0 EHADLO COCC1=CC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000185822033 1140172055 /nfs/dbraw/zinc/17/20/55/1140172055.db2.gz IFWMHXPWDORVKY-CYBMUJFWSA-N 1 2 347.846 3.653 20 0 EHADLO COCC1=CC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000185822033 1140172057 /nfs/dbraw/zinc/17/20/57/1140172057.db2.gz IFWMHXPWDORVKY-CYBMUJFWSA-N 1 2 347.846 3.653 20 0 EHADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185892345 1140175626 /nfs/dbraw/zinc/17/56/26/1140175626.db2.gz COADDDJOGFSMQL-CYGHRXIMSA-N 1 2 330.472 3.526 20 0 EHADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185892345 1140175628 /nfs/dbraw/zinc/17/56/28/1140175628.db2.gz COADDDJOGFSMQL-CYGHRXIMSA-N 1 2 330.472 3.526 20 0 EHADLO Cc1cc2occ(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000186095853 1140186356 /nfs/dbraw/zinc/18/63/56/1140186356.db2.gz FVDLLHPFSFHKCL-FZKQIMNGSA-N 1 2 337.423 3.969 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)no1 ZINC000186428210 1140203100 /nfs/dbraw/zinc/20/31/00/1140203100.db2.gz NMGAFUIIVZMUCL-UHFFFAOYSA-N 1 2 340.427 3.670 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(C)s1 ZINC000186427694 1140203332 /nfs/dbraw/zinc/20/33/32/1140203332.db2.gz DHSWBTQCVZEDBB-CYBMUJFWSA-N 1 2 342.468 3.913 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000187050110 1140234832 /nfs/dbraw/zinc/23/48/32/1140234832.db2.gz WBGDAGXFMNIOAT-GUYCJALGSA-N 1 2 346.862 3.638 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187804650 1140272671 /nfs/dbraw/zinc/27/26/71/1140272671.db2.gz QYWUNZVHYWXBQJ-OLMNPRSZSA-N 1 2 331.435 3.823 20 0 EHADLO C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188639317 1140303443 /nfs/dbraw/zinc/30/34/43/1140303443.db2.gz PHKBYVONTQGUAK-OAHLLOKOSA-N 1 2 335.407 3.823 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000188747401 1140306937 /nfs/dbraw/zinc/30/69/37/1140306937.db2.gz SOGJOMZEDKGELJ-FQEVSTJZSA-N 1 2 333.435 3.870 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000188995395 1140316564 /nfs/dbraw/zinc/31/65/64/1140316564.db2.gz DTCVJSVXBDDORZ-IBGZPJMESA-N 1 2 339.439 3.921 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189817571 1140365312 /nfs/dbraw/zinc/36/53/12/1140365312.db2.gz HIMSVAOAJOIUAX-QGZVFWFLSA-N 1 2 330.453 3.870 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189817571 1140365318 /nfs/dbraw/zinc/36/53/18/1140365318.db2.gz HIMSVAOAJOIUAX-QGZVFWFLSA-N 1 2 330.453 3.870 20 0 EHADLO CCCCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000190544649 1140409289 /nfs/dbraw/zinc/40/92/89/1140409289.db2.gz HQMUWAWJUNQLCB-CYBMUJFWSA-N 1 2 348.422 3.551 20 0 EHADLO CC(C)(C)n1cc(C[NH2+]C2(c3cccc(Br)c3)CC2)nn1 ZINC000191169348 1140442189 /nfs/dbraw/zinc/44/21/89/1140442189.db2.gz GUJLTDMMUTWJRZ-UHFFFAOYSA-N 1 2 349.276 3.575 20 0 EHADLO Cc1ccc(OCc2nc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)cs2)cc1 ZINC000191191900 1140443291 /nfs/dbraw/zinc/44/32/91/1140443291.db2.gz PSLWSQKOLCCCQH-GJZGRUSLSA-N 1 2 346.496 3.764 20 0 EHADLO CCS[C@H](C)c1noc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000191604331 1140474590 /nfs/dbraw/zinc/47/45/90/1140474590.db2.gz FIHLNDLBYMENMO-CYBMUJFWSA-N 1 2 332.473 3.658 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000191639161 1140476715 /nfs/dbraw/zinc/47/67/15/1140476715.db2.gz YCVNKAYPWFYMRA-OAHLLOKOSA-N 1 2 344.459 3.578 20 0 EHADLO c1cc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)no2)cs1 ZINC000191653894 1140477663 /nfs/dbraw/zinc/47/76/63/1140477663.db2.gz PYERMLQUGPXINY-UHFFFAOYSA-N 1 2 326.425 3.573 20 0 EHADLO Cc1cccc(C)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000193894345 1140590200 /nfs/dbraw/zinc/59/02/00/1140590200.db2.gz IGPLTKYAQOUANW-UHFFFAOYSA-N 1 2 329.469 3.998 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000195117684 1140631656 /nfs/dbraw/zinc/63/16/56/1140631656.db2.gz CVWYTUIXDUXKHL-HNNXBMFYSA-N 1 2 336.439 3.783 20 0 EHADLO Cc1c(Br)cccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266265169 1140661756 /nfs/dbraw/zinc/66/17/56/1140661756.db2.gz FXDIFELGGBWZIU-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(OC2CCC2)cc1 ZINC000266363702 1140674489 /nfs/dbraw/zinc/67/44/89/1140674489.db2.gz PZFMQVSLFABADK-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO CCC(CC)c1cc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)on1 ZINC000266445062 1140688172 /nfs/dbraw/zinc/68/81/72/1140688172.db2.gz PZYTUFPGGHXSDD-UHFFFAOYSA-N 1 2 341.415 3.856 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000266730540 1140719027 /nfs/dbraw/zinc/71/90/27/1140719027.db2.gz KTWKWRRLSJMERI-SJLPKXTDSA-N 1 2 344.503 3.518 20 0 EHADLO Cn1c[nH+]cc1CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000267188687 1140765736 /nfs/dbraw/zinc/76/57/36/1140765736.db2.gz ODMNBHGKMZOSOK-UHFFFAOYSA-N 1 2 340.452 3.537 20 0 EHADLO CCS[C@H]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000267281265 1140775162 /nfs/dbraw/zinc/77/51/62/1140775162.db2.gz SDSJHSMHSVHWMC-MSOLQXFVSA-N 1 2 343.496 3.726 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267298430 1140776649 /nfs/dbraw/zinc/77/66/49/1140776649.db2.gz BZYWABBNVIWPKQ-CRAIPNDOSA-N 1 2 342.487 3.669 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267298430 1140776655 /nfs/dbraw/zinc/77/66/55/1140776655.db2.gz BZYWABBNVIWPKQ-CRAIPNDOSA-N 1 2 342.487 3.669 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000267948937 1140853417 /nfs/dbraw/zinc/85/34/17/1140853417.db2.gz IQICMCJKJIVVRH-OVGFGYAMSA-N 1 2 328.456 3.512 20 0 EHADLO c1sc(N2CC[NH+](Cc3ccccn3)CC2)nc1-c1ccccc1 ZINC000268143622 1140890855 /nfs/dbraw/zinc/89/08/55/1140890855.db2.gz VSUUEYGCUPJIEE-UHFFFAOYSA-N 1 2 336.464 3.527 20 0 EHADLO C[C@@H]1CCN(c2nc(-c3cccc(Cl)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268292902 1140915419 /nfs/dbraw/zinc/91/54/19/1140915419.db2.gz VGRHLOXTMYHANT-IUODEOHRSA-N 1 2 343.818 3.674 20 0 EHADLO CC(C)(C)OC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000268322967 1140920690 /nfs/dbraw/zinc/92/06/90/1140920690.db2.gz UPRUHYFICGHWDL-UHFFFAOYSA-N 1 2 327.266 3.624 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000268412973 1140935803 /nfs/dbraw/zinc/93/58/03/1140935803.db2.gz URHNKNUSRUTEPE-PWSUYJOCSA-N 1 2 347.469 3.669 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722672 1140977304 /nfs/dbraw/zinc/97/73/04/1140977304.db2.gz WAQABCFJTOSLHQ-RBBKRZOGSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722672 1140977309 /nfs/dbraw/zinc/97/73/09/1140977309.db2.gz WAQABCFJTOSLHQ-RBBKRZOGSA-N 1 2 348.446 3.559 20 0 EHADLO COc1ccsc1C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000268794018 1140993678 /nfs/dbraw/zinc/99/36/78/1140993678.db2.gz NKOPZZDBCOFPDD-SNVBAGLBSA-N 1 2 333.388 3.797 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cs1 ZINC000268812301 1140998059 /nfs/dbraw/zinc/99/80/59/1140998059.db2.gz UQDOORRZMSTBTR-ZDUSSCGKSA-N 1 2 339.258 3.827 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)nnn1-c1ccc(C)cc1 ZINC000268836235 1141004329 /nfs/dbraw/zinc/00/43/29/1141004329.db2.gz GUOXEQGMMVGDRN-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968614 1141035929 /nfs/dbraw/zinc/03/59/29/1141035929.db2.gz LCHJEPIOFOTMRE-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cc2ccccc2o1)c1cccs1 ZINC000268968614 1141035936 /nfs/dbraw/zinc/03/59/36/1141035936.db2.gz LCHJEPIOFOTMRE-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO CC/C(=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(OC)cc1 ZINC000269714721 1141138584 /nfs/dbraw/zinc/13/85/84/1141138584.db2.gz ULZDOPCKUDITCI-LCJXNMAOSA-N 1 2 339.439 3.618 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCn1cc[nH+]c1 ZINC000270020631 1141168974 /nfs/dbraw/zinc/16/89/74/1141168974.db2.gz VOETZFZQCNOHFK-UHFFFAOYSA-N 1 2 344.415 3.567 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000270034560 1141170323 /nfs/dbraw/zinc/17/03/23/1141170323.db2.gz MJVHFJZTSJDVQS-MRXNPFEDSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)(C)O[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000270061755 1141174299 /nfs/dbraw/zinc/17/42/99/1141174299.db2.gz XFUHSJMLKZANCG-QGZVFWFLSA-N 1 2 341.455 3.672 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC000270091098 1141177797 /nfs/dbraw/zinc/17/77/97/1141177797.db2.gz BUZYOXZIBSEOHU-CYBMUJFWSA-N 1 2 345.468 3.678 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@@H](C)C2)cs1 ZINC000270091098 1141177800 /nfs/dbraw/zinc/17/78/00/1141177800.db2.gz BUZYOXZIBSEOHU-CYBMUJFWSA-N 1 2 345.468 3.678 20 0 EHADLO O[C@H](C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000270142022 1141184336 /nfs/dbraw/zinc/18/43/36/1141184336.db2.gz DPFXGTAPPSYMTI-CYBMUJFWSA-N 1 2 339.279 3.933 20 0 EHADLO O[C@H](C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000270142022 1141184338 /nfs/dbraw/zinc/18/43/38/1141184338.db2.gz DPFXGTAPPSYMTI-CYBMUJFWSA-N 1 2 339.279 3.933 20 0 EHADLO CCc1onc(C)c1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000270281007 1141201011 /nfs/dbraw/zinc/20/10/11/1141201011.db2.gz MLWCYQVVNJEXQS-UHFFFAOYSA-N 1 2 349.460 3.632 20 0 EHADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000270920653 1141283596 /nfs/dbraw/zinc/28/35/96/1141283596.db2.gz FKYIQFQEIVOLEP-STQMWFEESA-N 1 2 339.361 3.600 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cscn1 ZINC000271064175 1141302666 /nfs/dbraw/zinc/30/26/66/1141302666.db2.gz CSVXEPFDXWBPAG-DGCLKSJQSA-N 1 2 335.860 3.643 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc(F)c1F ZINC000271225979 1141329118 /nfs/dbraw/zinc/32/91/18/1141329118.db2.gz QZXKQGHIQXIQHP-LBPRGKRZSA-N 1 2 337.345 3.744 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc(F)c1F ZINC000271225979 1141329123 /nfs/dbraw/zinc/32/91/23/1141329123.db2.gz QZXKQGHIQXIQHP-LBPRGKRZSA-N 1 2 337.345 3.744 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000271256860 1141334578 /nfs/dbraw/zinc/33/45/78/1141334578.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000271256860 1141334586 /nfs/dbraw/zinc/33/45/86/1141334586.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000271256860 1141334594 /nfs/dbraw/zinc/33/45/94/1141334594.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000271256860 1141334599 /nfs/dbraw/zinc/33/45/99/1141334599.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)n[nH]1 ZINC000271256860 1141334605 /nfs/dbraw/zinc/33/46/05/1141334605.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n[nH]1 ZINC000271256860 1141334612 /nfs/dbraw/zinc/33/46/12/1141334612.db2.gz GDWBRMUGVUACER-HNNXBMFYSA-N 1 2 339.468 3.616 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000271471534 1141375417 /nfs/dbraw/zinc/37/54/17/1141375417.db2.gz GCHKHOIDBDTBQA-FRQCXROJSA-N 1 2 345.487 3.875 20 0 EHADLO C[C@H]1CCN(Cc2nc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000274278566 1141492529 /nfs/dbraw/zinc/49/25/29/1141492529.db2.gz COKLRLPFAGDTAN-SMDDNHRTSA-N 1 2 325.243 3.668 20 0 EHADLO Cc1nn2c(CNc3[nH+]c4cc(Cl)ccc4n3C)c(C)nc2s1 ZINC000274292648 1141494310 /nfs/dbraw/zinc/49/43/10/1141494310.db2.gz RJTOTFAZWZKBMW-UHFFFAOYSA-N 1 2 346.847 3.560 20 0 EHADLO CCC[N@H+](Cc1cn2ccsc2n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000339134872 1141506474 /nfs/dbraw/zinc/50/64/74/1141506474.db2.gz XFOUIGGLLISIQP-CQSZACIVSA-N 1 2 342.468 3.635 20 0 EHADLO CCC[N@@H+](Cc1cn2ccsc2n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000339134872 1141506477 /nfs/dbraw/zinc/50/64/77/1141506477.db2.gz XFOUIGGLLISIQP-CQSZACIVSA-N 1 2 342.468 3.635 20 0 EHADLO COc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1OCC(F)(F)F ZINC000339137384 1141507147 /nfs/dbraw/zinc/50/71/47/1141507147.db2.gz RJTDDWUUFCHEFX-UHFFFAOYSA-N 1 2 338.289 3.651 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000339142963 1141508524 /nfs/dbraw/zinc/50/85/24/1141508524.db2.gz BBUNQBUDERPNQQ-RISCZKNCSA-N 1 2 335.498 3.986 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)sc1C ZINC000339142963 1141508526 /nfs/dbraw/zinc/50/85/26/1141508526.db2.gz BBUNQBUDERPNQQ-RISCZKNCSA-N 1 2 335.498 3.986 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000339144590 1141509178 /nfs/dbraw/zinc/50/91/78/1141509178.db2.gz IEMVWKNOXHMFNC-HNNXBMFYSA-N 1 2 335.407 3.891 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000339201507 1141526747 /nfs/dbraw/zinc/52/67/47/1141526747.db2.gz SRLQZOIFTOZQEC-NVXWUHKLSA-N 1 2 329.419 3.695 20 0 EHADLO Cc1nccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000339205909 1141527909 /nfs/dbraw/zinc/52/79/09/1141527909.db2.gz UWTCAPBGMIWSMY-UHFFFAOYSA-N 1 2 325.362 3.942 20 0 EHADLO CC1(C)CCC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000339208953 1141528566 /nfs/dbraw/zinc/52/85/66/1141528566.db2.gz SBYABXVGJJEHRO-HNNXBMFYSA-N 1 2 329.419 3.844 20 0 EHADLO Cc1noc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000348629274 1141557008 /nfs/dbraw/zinc/55/70/08/1141557008.db2.gz AJDLKWLQGLUKNI-UHFFFAOYSA-N 1 2 336.233 3.553 20 0 EHADLO Cc1noc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000348629274 1141557013 /nfs/dbraw/zinc/55/70/13/1141557013.db2.gz AJDLKWLQGLUKNI-UHFFFAOYSA-N 1 2 336.233 3.553 20 0 EHADLO Cc1cc(Br)cn2c(CN3CCC[C@@H]3C(F)F)c[nH+]c12 ZINC000348837435 1141592454 /nfs/dbraw/zinc/59/24/54/1141592454.db2.gz IEOMBZHEACWZEW-GFCCVEGCSA-N 1 2 344.203 3.635 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000348898401 1141606020 /nfs/dbraw/zinc/60/60/20/1141606020.db2.gz YNMWFKAKVYLMFK-QGZVFWFLSA-N 1 2 347.846 3.764 20 0 EHADLO c1cn(Cc2ccccc2)c(Cc2nc(C3CCOCC3)cs2)[nH+]1 ZINC000348991010 1141619587 /nfs/dbraw/zinc/61/95/87/1141619587.db2.gz ANXFOZSUOFPRKP-UHFFFAOYSA-N 1 2 339.464 3.873 20 0 EHADLO COCC[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccn1 ZINC000349034837 1141625544 /nfs/dbraw/zinc/62/55/44/1141625544.db2.gz GKFMZGRRUQGLSV-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO COCC[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccn1 ZINC000349034837 1141625546 /nfs/dbraw/zinc/62/55/46/1141625546.db2.gz GKFMZGRRUQGLSV-UHFFFAOYSA-N 1 2 331.485 3.844 20 0 EHADLO COCC[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccn1 ZINC000349036094 1141625658 /nfs/dbraw/zinc/62/56/58/1141625658.db2.gz MIQCUNUUIIIRLB-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO COCC[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccn1 ZINC000349036094 1141625661 /nfs/dbraw/zinc/62/56/61/1141625661.db2.gz MIQCUNUUIIIRLB-UHFFFAOYSA-N 1 2 330.375 3.811 20 0 EHADLO c1cn2cc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)nc2s1 ZINC000349039814 1141627196 /nfs/dbraw/zinc/62/71/96/1141627196.db2.gz UDEYDDKFPIGTKG-UHFFFAOYSA-N 1 2 335.436 3.561 20 0 EHADLO c1cn2cc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)nc2s1 ZINC000349039814 1141627198 /nfs/dbraw/zinc/62/71/98/1141627198.db2.gz UDEYDDKFPIGTKG-UHFFFAOYSA-N 1 2 335.436 3.561 20 0 EHADLO CCCc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)sc1C ZINC000349044648 1141627627 /nfs/dbraw/zinc/62/76/27/1141627627.db2.gz YKCJYQXSNWFHFQ-UHFFFAOYSA-N 1 2 331.485 3.814 20 0 EHADLO Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000349060904 1141631689 /nfs/dbraw/zinc/63/16/89/1141631689.db2.gz HGSXBVPNYWNJAY-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO Fc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000349060904 1141631692 /nfs/dbraw/zinc/63/16/92/1141631692.db2.gz HGSXBVPNYWNJAY-ZDUSSCGKSA-N 1 2 334.826 3.854 20 0 EHADLO CN(C)c1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)ccn1 ZINC000072058530 216000672 /nfs/dbraw/zinc/00/06/72/216000672.db2.gz DLTVSEIEUPLQHF-UHFFFAOYSA-N 1 2 335.411 3.544 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000072101570 216008822 /nfs/dbraw/zinc/00/88/22/216008822.db2.gz QYRPYJLUJUNXNC-TXEJJXNPSA-N 1 2 340.345 3.970 20 0 EHADLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000072101570 216008825 /nfs/dbraw/zinc/00/88/25/216008825.db2.gz QYRPYJLUJUNXNC-TXEJJXNPSA-N 1 2 340.345 3.970 20 0 EHADLO Cc1cccn2cc(-c3ccc(NC(=O)CCn4cccn4)cc3)[nH+]c12 ZINC000131628636 223252279 /nfs/dbraw/zinc/25/22/79/223252279.db2.gz KBYUEKVWIRLGJL-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)o2)C[C@H](C)O1 ZINC000079267050 217203268 /nfs/dbraw/zinc/20/32/68/217203268.db2.gz KVSRWPVTODXROO-STQMWFEESA-N 1 2 348.830 3.795 20 0 EHADLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(F)cc1Cl ZINC000010737250 211187370 /nfs/dbraw/zinc/18/73/70/211187370.db2.gz CWSBQTYTIDLKDY-UHFFFAOYSA-N 1 2 331.778 3.567 20 0 EHADLO CCc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1C ZINC000519089788 564057738 /nfs/dbraw/zinc/05/77/38/564057738.db2.gz BDLJPKMYOULXML-INIZCTEOSA-N 1 2 326.444 3.906 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088388720 564079069 /nfs/dbraw/zinc/07/90/69/564079069.db2.gz NALGKNOYICXXKB-MRXNPFEDSA-N 1 2 336.399 3.559 20 0 EHADLO C[N@H+](Cc1ccc(C(=O)[O-])s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000383541225 601954564 /nfs/dbraw/zinc/95/45/64/601954564.db2.gz UKMZGLHKHYINQK-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000383541225 601954565 /nfs/dbraw/zinc/95/45/65/601954565.db2.gz UKMZGLHKHYINQK-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413607 606173166 /nfs/dbraw/zinc/17/31/66/606173166.db2.gz SLUKPOHNLBUDSD-RYUDHWBXSA-N 1 2 340.431 3.564 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000460810440 1032068917 /nfs/dbraw/zinc/06/89/17/1032068917.db2.gz RAFLEKFQMVJNLQ-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153354608 1125475330 /nfs/dbraw/zinc/47/53/30/1125475330.db2.gz KDFDFUIRKKJBJM-MRXNPFEDSA-N 1 2 332.492 3.517 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(OCC(F)(F)F)cc3)ccc2[nH+]1 ZINC000339267805 1014133010 /nfs/dbraw/zinc/13/30/10/1014133010.db2.gz KNPOZOBXXDMCDI-UHFFFAOYSA-N 1 2 349.312 3.836 20 0 EHADLO Cc1cn2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc2[nH+]1 ZINC000339271858 1014138604 /nfs/dbraw/zinc/13/86/04/1014138604.db2.gz LWOGJSFAHINULJ-UHFFFAOYSA-N 1 2 349.419 3.722 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cn1 ZINC000339275311 1014142481 /nfs/dbraw/zinc/14/24/81/1014142481.db2.gz NDOWMPAPWUXALL-UHFFFAOYSA-N 1 2 337.427 3.526 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000339330543 1014228771 /nfs/dbraw/zinc/22/87/71/1014228771.db2.gz UKWAOYCOPDPNER-SFHVURJKSA-N 1 2 348.450 3.684 20 0 EHADLO COc1cccc(NCCSCc2csc(C[NH+](C)C)n2)c1 ZINC001168106626 1032089165 /nfs/dbraw/zinc/08/91/65/1032089165.db2.gz GFSHHFHECDQPQJ-UHFFFAOYSA-N 1 2 337.514 3.559 20 0 EHADLO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000339437814 1014454463 /nfs/dbraw/zinc/45/44/63/1014454463.db2.gz MPMXOMVBBIQPTO-BMFAXAFESA-N 1 2 328.456 3.668 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000430167555 1014529837 /nfs/dbraw/zinc/52/98/37/1014529837.db2.gz PZJFGNCXPXVSAF-INIZCTEOSA-N 1 2 349.434 3.664 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000430167555 1014529844 /nfs/dbraw/zinc/52/98/44/1014529844.db2.gz PZJFGNCXPXVSAF-INIZCTEOSA-N 1 2 349.434 3.664 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000339471142 1014537045 /nfs/dbraw/zinc/53/70/45/1014537045.db2.gz ZSJXQALTXJMDTO-AQNXPRMDSA-N 1 2 345.446 3.693 20 0 EHADLO CC(C)[C@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339475286 1014548570 /nfs/dbraw/zinc/54/85/70/1014548570.db2.gz XJERKWOZHRWTDL-MSOLQXFVSA-N 1 2 325.456 3.566 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339476450 1014549375 /nfs/dbraw/zinc/54/93/75/1014549375.db2.gz FNANQJKHJHQUES-WBVHZDCISA-N 1 2 345.874 3.829 20 0 EHADLO CCCC(C)(C)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498389 1032095356 /nfs/dbraw/zinc/09/53/56/1032095356.db2.gz ZLSXMVAJHBZEKD-UHFFFAOYSA-N 1 2 343.471 3.938 20 0 EHADLO CC(C)Oc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000654948498 1014650943 /nfs/dbraw/zinc/65/09/43/1014650943.db2.gz RXMKOVJQCVYVAJ-AWEZNQCLSA-N 1 2 347.846 3.801 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000654948458 1014651196 /nfs/dbraw/zinc/65/11/96/1014651196.db2.gz IGOUGHPCSYJXAG-QGZVFWFLSA-N 1 2 345.874 3.969 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000646883570 1014672146 /nfs/dbraw/zinc/67/21/46/1014672146.db2.gz FEPPQLKVYYEQAY-MPGHIAIKSA-N 1 2 341.455 3.601 20 0 EHADLO Fc1ccc([C@H]2CN(c3cccc[nH+]3)CCO2)cc1Br ZINC000274757636 1014869065 /nfs/dbraw/zinc/86/90/65/1014869065.db2.gz QXEPSLPMRFUJOG-CQSZACIVSA-N 1 2 337.192 3.561 20 0 EHADLO CC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCCCC1 ZINC000683198236 1014899368 /nfs/dbraw/zinc/89/93/68/1014899368.db2.gz HZIIFHJPYLGYLR-HXUWFJFHSA-N 1 2 344.499 3.608 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@@H]2C2CCC2)nnn1-c1ccc(Cl)cc1 ZINC000728200479 1014953264 /nfs/dbraw/zinc/95/32/64/1014953264.db2.gz XYKWQRYZPYASAR-OAHLLOKOSA-N 1 2 349.891 3.674 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@@H]2C2CCC2)nnn1-c1ccc(Cl)cc1 ZINC000728200479 1014953269 /nfs/dbraw/zinc/95/32/69/1014953269.db2.gz XYKWQRYZPYASAR-OAHLLOKOSA-N 1 2 349.891 3.674 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)c1 ZINC000182530697 1032106892 /nfs/dbraw/zinc/10/68/92/1032106892.db2.gz MUJFZLPTGIHPBW-LLVKDONJSA-N 1 2 342.424 3.607 20 0 EHADLO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1csnn1 ZINC000430219152 1015070397 /nfs/dbraw/zinc/07/03/97/1015070397.db2.gz LZMNWFKOCPSRAP-CYBMUJFWSA-N 1 2 338.274 3.714 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccc(NC(C)(C)C)cn4)no3)ccn12 ZINC000579852803 1015271567 /nfs/dbraw/zinc/27/15/67/1015271567.db2.gz YXNZBGXCVFFSBS-UHFFFAOYSA-N 1 2 348.410 3.965 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000620203961 1125499500 /nfs/dbraw/zinc/49/95/00/1125499500.db2.gz FMWPFGCQODCYMH-CQSZACIVSA-N 1 2 347.409 3.662 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000154394295 1015420735 /nfs/dbraw/zinc/42/07/35/1015420735.db2.gz KGWIKVHUQYKCNS-UHFFFAOYSA-N 1 2 336.867 3.551 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000154394295 1015420740 /nfs/dbraw/zinc/42/07/40/1015420740.db2.gz KGWIKVHUQYKCNS-UHFFFAOYSA-N 1 2 336.867 3.551 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153492042 1125504497 /nfs/dbraw/zinc/50/44/97/1125504497.db2.gz INYLHBOVGGZCFM-UHFFFAOYSA-N 1 2 337.826 3.660 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cs1 ZINC000339657376 1015472452 /nfs/dbraw/zinc/47/24/52/1015472452.db2.gz KSEIURGDHYNUNV-OAHLLOKOSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cs1 ZINC000339657376 1015472460 /nfs/dbraw/zinc/47/24/60/1015472460.db2.gz KSEIURGDHYNUNV-OAHLLOKOSA-N 1 2 338.860 3.596 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC000683257503 1015553886 /nfs/dbraw/zinc/55/38/86/1015553886.db2.gz WXHQTERMJAWFQY-GOSISDBHSA-N 1 2 339.483 3.804 20 0 EHADLO Cc1nc(NCc2cc(COC(C)(C)C)on2)c2c([nH+]1)CCCC2 ZINC000274952669 1015681808 /nfs/dbraw/zinc/68/18/08/1015681808.db2.gz DYQBOYXHHBCLPY-UHFFFAOYSA-N 1 2 330.432 3.579 20 0 EHADLO Cn1ccnc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000339795610 1015678557 /nfs/dbraw/zinc/67/85/57/1015678557.db2.gz HFVLZEOFIQLIMJ-HNNXBMFYSA-N 1 2 348.288 3.780 20 0 EHADLO Cn1ccnc1C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000339795610 1015678559 /nfs/dbraw/zinc/67/85/59/1015678559.db2.gz HFVLZEOFIQLIMJ-HNNXBMFYSA-N 1 2 348.288 3.780 20 0 EHADLO COCC[C@@H](c1ccccc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339802864 1015682998 /nfs/dbraw/zinc/68/29/98/1015682998.db2.gz GUOYSPLITMECRR-FQEVSTJZSA-N 1 2 333.435 3.966 20 0 EHADLO COCC[C@@H](c1ccccc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339802864 1015683001 /nfs/dbraw/zinc/68/30/01/1015683001.db2.gz GUOYSPLITMECRR-FQEVSTJZSA-N 1 2 333.435 3.966 20 0 EHADLO C[N@H+](CCC[NH+]1CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598478624 992114566 /nfs/dbraw/zinc/11/45/66/992114566.db2.gz KQMAIURJHGBASB-OAHLLOKOSA-N 1 2 345.270 3.537 20 0 EHADLO C[N@@H+](CCC[NH+]1CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598478624 992114570 /nfs/dbraw/zinc/11/45/70/992114570.db2.gz KQMAIURJHGBASB-OAHLLOKOSA-N 1 2 345.270 3.537 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(Cc2cccc(F)c2)CCC1 ZINC000274980576 1015693330 /nfs/dbraw/zinc/69/33/30/1015693330.db2.gz MFKNNJQIJHXFDV-UHFFFAOYSA-N 1 2 341.430 3.668 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825284 1015707114 /nfs/dbraw/zinc/70/71/14/1015707114.db2.gz ZQUBUFMXXPKLFZ-LRDDRELGSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CCCO1 ZINC000339825284 1015707119 /nfs/dbraw/zinc/70/71/19/1015707119.db2.gz ZQUBUFMXXPKLFZ-LRDDRELGSA-N 1 2 342.842 3.553 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825663 1015709890 /nfs/dbraw/zinc/70/98/90/1015709890.db2.gz WTMVVRYJUDDHSB-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825663 1015709894 /nfs/dbraw/zinc/70/98/94/1015709894.db2.gz WTMVVRYJUDDHSB-PGRDOPGGSA-N 1 2 347.462 3.893 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(Cc2cccc(F)c2)CCC1 ZINC000274994169 1015720404 /nfs/dbraw/zinc/72/04/04/1015720404.db2.gz OOLRBVXBDOYQBN-INIZCTEOSA-N 1 2 341.430 3.668 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510150757 1015796566 /nfs/dbraw/zinc/79/65/66/1015796566.db2.gz ISVFBZGLKWHTGC-GOSISDBHSA-N 1 2 329.488 3.727 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)o1 ZINC000154761697 1015801440 /nfs/dbraw/zinc/80/14/40/1015801440.db2.gz PSRPGMFOOWVOMS-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)o1 ZINC000154761697 1015801448 /nfs/dbraw/zinc/80/14/48/1015801448.db2.gz PSRPGMFOOWVOMS-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000182780377 1032128626 /nfs/dbraw/zinc/12/86/26/1032128626.db2.gz WJFJLAGVVFAJDI-IFXJQAMLSA-N 1 2 331.843 3.794 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CO)cc1 ZINC000182780377 1032128633 /nfs/dbraw/zinc/12/86/33/1032128633.db2.gz WJFJLAGVVFAJDI-IFXJQAMLSA-N 1 2 331.843 3.794 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000066899799 1015862802 /nfs/dbraw/zinc/86/28/02/1015862802.db2.gz NCEJXVIJVIOOBE-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000536688926 1032134991 /nfs/dbraw/zinc/13/49/91/1032134991.db2.gz MRVYPBBBGIVGIO-QGZVFWFLSA-N 1 2 349.862 3.537 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000081318487 1016051852 /nfs/dbraw/zinc/05/18/52/1016051852.db2.gz SJAHHKGKCCLBLR-IWAYRVGRSA-N 1 2 337.448 3.595 20 0 EHADLO Cc1nc2sc3c(c2c(NCCCn2cc[nH+]c2)n1)CCCCC3 ZINC000339964685 1016079823 /nfs/dbraw/zinc/07/98/23/1016079823.db2.gz FXHNRIDVSGAKJQ-UHFFFAOYSA-N 1 2 341.484 3.967 20 0 EHADLO O=C(NCc1cccs1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000080512812 1032139659 /nfs/dbraw/zinc/13/96/59/1032139659.db2.gz CSWCIWWNZSZGAB-KRWDZBQOSA-N 1 2 332.444 3.558 20 0 EHADLO O=C(NCc1cccs1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080512812 1032139665 /nfs/dbraw/zinc/13/96/65/1032139665.db2.gz CSWCIWWNZSZGAB-KRWDZBQOSA-N 1 2 332.444 3.558 20 0 EHADLO COc1cccc(C2=CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000340013485 1016119064 /nfs/dbraw/zinc/11/90/64/1016119064.db2.gz BXNPNAUWADNXHC-UHFFFAOYSA-N 1 2 336.439 3.601 20 0 EHADLO COc1cccc(C2=CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000340013485 1016119069 /nfs/dbraw/zinc/11/90/69/1016119069.db2.gz BXNPNAUWADNXHC-UHFFFAOYSA-N 1 2 336.439 3.601 20 0 EHADLO Cc1ccc(-c2cc(C(=O)Nc3ccccc3C[NH+](C)C)[nH]n2)cc1 ZINC000048173996 1016125580 /nfs/dbraw/zinc/12/55/80/1016125580.db2.gz KQVQKRBKMXGOTN-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO C[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1ccccc1-n1cccn1 ZINC000183169119 1032140362 /nfs/dbraw/zinc/14/03/62/1032140362.db2.gz IVGKWCIKQRKPFO-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO CC(C)([NH2+]Cc1ncc(-c2ccccc2)o1)C(=O)NCC1CCCC1 ZINC000155104396 1016152808 /nfs/dbraw/zinc/15/28/08/1016152808.db2.gz ZJTBKUSZVYXORP-UHFFFAOYSA-N 1 2 341.455 3.516 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc2ccc(F)cc2c1 ZINC000340039336 1016156438 /nfs/dbraw/zinc/15/64/38/1016156438.db2.gz XGSZKLFYVUWWNV-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)on1 ZINC000046089456 1016279377 /nfs/dbraw/zinc/27/93/77/1016279377.db2.gz WWDMKXCSWIVZIU-ZDUSSCGKSA-N 1 2 333.457 3.809 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)on1 ZINC000046089456 1016279387 /nfs/dbraw/zinc/27/93/87/1016279387.db2.gz WWDMKXCSWIVZIU-ZDUSSCGKSA-N 1 2 333.457 3.809 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)OCO2 ZINC000090229004 1016297415 /nfs/dbraw/zinc/29/74/15/1016297415.db2.gz RVACWQYUTCVFSC-QMMMGPOBSA-N 1 2 327.277 3.823 20 0 EHADLO CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001594419346 999565575 /nfs/dbraw/zinc/56/55/75/999565575.db2.gz YAEFHVLIVGNSFL-SFHVURJKSA-N 1 2 348.462 3.610 20 0 EHADLO CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001594419346 999565579 /nfs/dbraw/zinc/56/55/79/999565579.db2.gz YAEFHVLIVGNSFL-SFHVURJKSA-N 1 2 348.462 3.610 20 0 EHADLO Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCCO2 ZINC000182878119 1032147572 /nfs/dbraw/zinc/14/75/72/1032147572.db2.gz WOGPBYLDMZEWCK-SFHVURJKSA-N 1 2 339.439 3.552 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762845 1016448535 /nfs/dbraw/zinc/44/85/35/1016448535.db2.gz BUOOVTLCFKGXEK-IAGOWNOFSA-N 1 2 341.455 3.825 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C12CCC2 ZINC000120762845 1016448547 /nfs/dbraw/zinc/44/85/47/1016448547.db2.gz BUOOVTLCFKGXEK-IAGOWNOFSA-N 1 2 341.455 3.825 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc2ccc(Cl)cc2n1)CC(C)C ZINC001167199734 1016558087 /nfs/dbraw/zinc/55/80/87/1016558087.db2.gz UFXVELPQDPOQOV-UHFFFAOYSA-N 1 2 334.847 3.909 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc2ccc(Cl)cc2n1)CC(C)C ZINC001167199734 1016558101 /nfs/dbraw/zinc/55/81/01/1016558101.db2.gz UFXVELPQDPOQOV-UHFFFAOYSA-N 1 2 334.847 3.909 20 0 EHADLO CCCCc1noc(C[N@H+](C)CCCOc2cccc(Cl)c2)n1 ZINC000613565727 1016606688 /nfs/dbraw/zinc/60/66/88/1016606688.db2.gz VHEFRAZLWBCITG-UHFFFAOYSA-N 1 2 337.851 3.967 20 0 EHADLO CCCCc1noc(C[N@@H+](C)CCCOc2cccc(Cl)c2)n1 ZINC000613565727 1016606702 /nfs/dbraw/zinc/60/67/02/1016606702.db2.gz VHEFRAZLWBCITG-UHFFFAOYSA-N 1 2 337.851 3.967 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)/C(F)=C\C1CCCCC1 ZINC001125340092 1016706246 /nfs/dbraw/zinc/70/62/46/1016706246.db2.gz WBSTVVBRGVXWPT-XDHOZWIPSA-N 1 2 341.430 3.981 20 0 EHADLO c1csc([C@H]([NH2+]CCCCOCc2ccccc2)c2nnc[nH]2)c1 ZINC000340213122 1016711362 /nfs/dbraw/zinc/71/13/62/1016711362.db2.gz AITNAXPXFUPNCS-KRWDZBQOSA-N 1 2 342.468 3.542 20 0 EHADLO Cc1ccc2c(CC[NH2+][C@H](c3cccs3)c3nnc[nH]3)c[nH]c2c1 ZINC000340217770 1016715371 /nfs/dbraw/zinc/71/53/71/1016715371.db2.gz RNHHKRUIGLPGQB-QGZVFWFLSA-N 1 2 337.452 3.578 20 0 EHADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NCCNc1cccc[nH+]1 ZINC000340234376 1016748103 /nfs/dbraw/zinc/74/81/03/1016748103.db2.gz GZIUUUDARDQNLM-GOSISDBHSA-N 1 2 343.496 3.568 20 0 EHADLO O=C(CO[C@@H]1CCCc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000430404260 1016777028 /nfs/dbraw/zinc/77/70/28/1016777028.db2.gz HVHBELGCCWRIIF-HXUWFJFHSA-N 1 2 347.418 3.905 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(C(=O)OC)cc1 ZINC000340252027 1016803044 /nfs/dbraw/zinc/80/30/44/1016803044.db2.gz FERMFZXTBYOJEG-AWEZNQCLSA-N 1 2 333.457 3.689 20 0 EHADLO CCC[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376648748 1016951240 /nfs/dbraw/zinc/95/12/40/1016951240.db2.gz LSZUUROAOFDHMC-CVEARBPZSA-N 1 2 332.492 3.687 20 0 EHADLO Cc1coc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC001266485098 1016987139 /nfs/dbraw/zinc/98/71/39/1016987139.db2.gz RPCKFDFKGZUPKN-SFHVURJKSA-N 1 2 337.423 3.881 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547833474 1016999467 /nfs/dbraw/zinc/99/94/67/1016999467.db2.gz QIWXNUGRRZHZLE-CXAGYDPISA-N 1 2 347.846 3.671 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1nc2c(s1)CCC2 ZINC000584346963 1032163667 /nfs/dbraw/zinc/16/36/67/1032163667.db2.gz PSJJFKSDWWNVPW-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cnn1C ZINC000183409246 1032168684 /nfs/dbraw/zinc/16/86/84/1032168684.db2.gz HNGZEBTYLNUFAV-ZIAGYGMSSA-N 1 2 339.443 3.807 20 0 EHADLO C[N@H+](Cc1csc(Br)c1)Cc1cc(CO)ccc1F ZINC000528360830 1032172099 /nfs/dbraw/zinc/17/20/99/1032172099.db2.gz VXURCATVYXKWAI-UHFFFAOYSA-N 1 2 344.249 3.774 20 0 EHADLO C[N@@H+](Cc1csc(Br)c1)Cc1cc(CO)ccc1F ZINC000528360830 1032172103 /nfs/dbraw/zinc/17/21/03/1032172103.db2.gz VXURCATVYXKWAI-UHFFFAOYSA-N 1 2 344.249 3.774 20 0 EHADLO Cc1nc2[nH]ccc2c(NCCC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000080787178 1032182733 /nfs/dbraw/zinc/18/27/33/1032182733.db2.gz DMSGQPGYUMUMPQ-UHFFFAOYSA-N 1 2 343.818 3.669 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(OCC)c2)cs1 ZINC000538175362 1032196960 /nfs/dbraw/zinc/19/69/60/1032196960.db2.gz CALQJEBNJNQNPO-LBPRGKRZSA-N 1 2 334.441 3.569 20 0 EHADLO Cn1nccc1C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183704740 1032197150 /nfs/dbraw/zinc/19/71/50/1032197150.db2.gz VTFCSLGYEGWTQI-INIZCTEOSA-N 1 2 346.228 3.655 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080913016 1032200965 /nfs/dbraw/zinc/20/09/65/1032200965.db2.gz JIOSWVNZMJFGTO-CQSZACIVSA-N 1 2 335.879 3.562 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080913016 1032200980 /nfs/dbraw/zinc/20/09/80/1032200980.db2.gz JIOSWVNZMJFGTO-CQSZACIVSA-N 1 2 335.879 3.562 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000080924367 1032206305 /nfs/dbraw/zinc/20/63/05/1032206305.db2.gz FOOPCFSTVJHKTG-MRXNPFEDSA-N 1 2 348.446 3.855 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000080924367 1032206323 /nfs/dbraw/zinc/20/63/23/1032206323.db2.gz FOOPCFSTVJHKTG-MRXNPFEDSA-N 1 2 348.446 3.855 20 0 EHADLO CC1(C)CCCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425283959 1032220627 /nfs/dbraw/zinc/22/06/27/1032220627.db2.gz PTXCXHDRSNCZDV-QGZVFWFLSA-N 1 2 325.456 3.970 20 0 EHADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000183804341 1032230853 /nfs/dbraw/zinc/23/08/53/1032230853.db2.gz OVXPHAMCJWYXKV-GFCCVEGCSA-N 1 2 330.819 3.632 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000081178310 1032257305 /nfs/dbraw/zinc/25/73/05/1032257305.db2.gz JEDUCRXNYBZQAU-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116846 1032264071 /nfs/dbraw/zinc/26/40/71/1032264071.db2.gz XRCXHLYJZCWFLG-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116846 1032264084 /nfs/dbraw/zinc/26/40/84/1032264084.db2.gz XRCXHLYJZCWFLG-VIFPVBQESA-N 1 2 344.267 3.909 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cnc(C2CC2)nc1 ZINC000459559986 1032278908 /nfs/dbraw/zinc/27/89/08/1032278908.db2.gz JWSWOLPNAAYFTA-UHFFFAOYSA-N 1 2 349.837 3.795 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cnc(C2CC2)nc1 ZINC000459559986 1032278919 /nfs/dbraw/zinc/27/89/19/1032278919.db2.gz JWSWOLPNAAYFTA-UHFFFAOYSA-N 1 2 349.837 3.795 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000184374573 1032288503 /nfs/dbraw/zinc/28/85/03/1032288503.db2.gz FGJMSEQDHBNEON-CQSZACIVSA-N 1 2 334.510 3.566 20 0 EHADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459569492 1032295960 /nfs/dbraw/zinc/29/59/60/1032295960.db2.gz KWOGEPDHBHKATR-HIFRSBDPSA-N 1 2 340.389 3.671 20 0 EHADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459569492 1032295968 /nfs/dbraw/zinc/29/59/68/1032295968.db2.gz KWOGEPDHBHKATR-HIFRSBDPSA-N 1 2 340.389 3.671 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184871687 1032327093 /nfs/dbraw/zinc/32/70/93/1032327093.db2.gz ZTNVKMDZSYCQAT-MRXNPFEDSA-N 1 2 349.434 3.617 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ncc(-c2ccccc2)o1 ZINC000184882579 1032327584 /nfs/dbraw/zinc/32/75/84/1032327584.db2.gz XTZXKKLZCJMCIU-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)c1ccccc1 ZINC000538388012 1032332180 /nfs/dbraw/zinc/33/21/80/1032332180.db2.gz YGJIDSLSOIGFMM-DLBZAZTESA-N 1 2 333.435 3.853 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2csc(C)c2)c2nccn2C)cc1 ZINC000449217683 1032336196 /nfs/dbraw/zinc/33/61/96/1032336196.db2.gz AYVOFOIKPRGBGY-KRWDZBQOSA-N 1 2 327.453 3.678 20 0 EHADLO O=C1CC[C@H]2CN(Cc3ccc(-n4cc[nH+]c4)cc3)c3cccc1c32 ZINC000184799742 1032337349 /nfs/dbraw/zinc/33/73/49/1032337349.db2.gz YOUODVHTAZRJFI-INIZCTEOSA-N 1 2 329.403 3.953 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1C ZINC000459632523 1032349087 /nfs/dbraw/zinc/34/90/87/1032349087.db2.gz NMUOCGUNLGOCSY-QWRGUYRKSA-N 1 2 334.441 3.732 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000528496321 1032355737 /nfs/dbraw/zinc/35/57/37/1032355737.db2.gz ZYFIIPHGATWFJO-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000528496321 1032355749 /nfs/dbraw/zinc/35/57/49/1032355749.db2.gz ZYFIIPHGATWFJO-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)nc2c1 ZINC000528504088 1032360299 /nfs/dbraw/zinc/36/02/99/1032360299.db2.gz MMMVXZNSOGBFQV-UHFFFAOYSA-N 1 2 338.432 3.978 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)nc2c1 ZINC000528504088 1032360308 /nfs/dbraw/zinc/36/03/08/1032360308.db2.gz MMMVXZNSOGBFQV-UHFFFAOYSA-N 1 2 338.432 3.978 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1F ZINC000528497781 1032360333 /nfs/dbraw/zinc/36/03/33/1032360333.db2.gz RVPMPQFHCIYEOB-STQMWFEESA-N 1 2 346.215 3.871 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1F ZINC000528497781 1032360339 /nfs/dbraw/zinc/36/03/39/1032360339.db2.gz RVPMPQFHCIYEOB-STQMWFEESA-N 1 2 346.215 3.871 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cn1)c1nc2c(s1)CCC2 ZINC000459643297 1032364245 /nfs/dbraw/zinc/36/42/45/1032364245.db2.gz CKNRCBDEDOLTJL-VIFPVBQESA-N 1 2 338.274 3.640 20 0 EHADLO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528501894 1032367407 /nfs/dbraw/zinc/36/74/07/1032367407.db2.gz FRFZTNJEMKEOJY-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528501894 1032367414 /nfs/dbraw/zinc/36/74/14/1032367414.db2.gz FRFZTNJEMKEOJY-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1nc2c(s1)CCC2 ZINC000459651651 1032371904 /nfs/dbraw/zinc/37/19/04/1032371904.db2.gz PRKLBFXJTSIHTP-SSDOTTSWSA-N 1 2 333.404 3.958 20 0 EHADLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519800 1032397093 /nfs/dbraw/zinc/39/70/93/1032397093.db2.gz NSAPFCHZFWGCPP-SJLPKXTDSA-N 1 2 328.456 3.740 20 0 EHADLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519800 1032397104 /nfs/dbraw/zinc/39/71/04/1032397104.db2.gz NSAPFCHZFWGCPP-SJLPKXTDSA-N 1 2 328.456 3.740 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528510170 1032413817 /nfs/dbraw/zinc/41/38/17/1032413817.db2.gz XHDGHRCBAUMZCO-IBGZPJMESA-N 1 2 347.480 3.627 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528510170 1032413825 /nfs/dbraw/zinc/41/38/25/1032413825.db2.gz XHDGHRCBAUMZCO-IBGZPJMESA-N 1 2 347.480 3.627 20 0 EHADLO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1noc(C2CC2)n1 ZINC000449303980 1032422551 /nfs/dbraw/zinc/42/25/51/1032422551.db2.gz YJCZFTUNNXCBIO-VIFPVBQESA-N 1 2 342.226 3.811 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCc4cccc(Cl)c4C3)cnc2n1 ZINC000459719132 1032427178 /nfs/dbraw/zinc/42/71/78/1032427178.db2.gz XUIXVRUJSCBZPG-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCc4cccc(Cl)c4C3)cnc2n1 ZINC000459719132 1032427181 /nfs/dbraw/zinc/42/71/81/1032427181.db2.gz XUIXVRUJSCBZPG-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO O=C(C[NH2+]Cc1cc(Cl)sc1Cl)N1Cc2ccccc2C1 ZINC000449292151 1032432833 /nfs/dbraw/zinc/43/28/33/1032432833.db2.gz BTZOZIKEVBOSLS-UHFFFAOYSA-N 1 2 341.263 3.687 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(F)c1Br)C1CC1 ZINC000449322991 1032436014 /nfs/dbraw/zinc/43/60/14/1032436014.db2.gz QWKZKBALZHMIPK-AWEZNQCLSA-N 1 2 338.224 3.563 20 0 EHADLO Cc1ccc(COC2CC[NH+](CC(=O)c3cccs3)CC2)cc1 ZINC001204688056 1032451862 /nfs/dbraw/zinc/45/18/62/1032451862.db2.gz UPCZTNJGGCKQBS-UHFFFAOYSA-N 1 2 329.465 3.920 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c(Br)c1 ZINC000459739089 1032454188 /nfs/dbraw/zinc/45/41/88/1032454188.db2.gz CZTQEXLFKQZUHP-WDEREUQCSA-N 1 2 338.249 3.603 20 0 EHADLO COc1ccc(-n2cc(C[N@@H+]3CC(C)(C)[C@H]3c3cccnc3)cn2)cc1 ZINC000449336780 1032470888 /nfs/dbraw/zinc/47/08/88/1032470888.db2.gz PBOJSMBXJRSMEF-HXUWFJFHSA-N 1 2 348.450 3.859 20 0 EHADLO COc1ccc(-n2cc(C[N@H+]3CC(C)(C)[C@H]3c3cccnc3)cn2)cc1 ZINC000449336780 1032470896 /nfs/dbraw/zinc/47/08/96/1032470896.db2.gz PBOJSMBXJRSMEF-HXUWFJFHSA-N 1 2 348.450 3.859 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1nccn1CC(F)(F)F ZINC000449365238 1032480346 /nfs/dbraw/zinc/48/03/46/1032480346.db2.gz SLCLHLYMXILBTB-AXFHLTTASA-N 1 2 343.315 3.997 20 0 EHADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1nccn1CC(F)(F)F ZINC000449365238 1032480350 /nfs/dbraw/zinc/48/03/50/1032480350.db2.gz SLCLHLYMXILBTB-AXFHLTTASA-N 1 2 343.315 3.997 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1c(F)cccc1F ZINC000537025029 1032489887 /nfs/dbraw/zinc/48/98/87/1032489887.db2.gz HTRGYMLJAYRSEJ-ZUOKHONESA-N 1 2 344.405 3.883 20 0 EHADLO CCOc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)ccc1OC ZINC000278767751 1032491349 /nfs/dbraw/zinc/49/13/49/1032491349.db2.gz YBLLIPDUWRGIGF-UHFFFAOYSA-N 1 2 346.374 3.859 20 0 EHADLO C[NH+](C)Cc1nc(CSCCNc2cccc3ocnc32)cs1 ZINC001168108726 1032492204 /nfs/dbraw/zinc/49/22/04/1032492204.db2.gz SFJCUOGCTFVNFX-UHFFFAOYSA-N 1 2 348.497 3.691 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)[C@@H]1C ZINC000162213570 1032525117 /nfs/dbraw/zinc/52/51/17/1032525117.db2.gz UUHWSGSWXTUEGF-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)[C@@H]1C ZINC000162213570 1032525125 /nfs/dbraw/zinc/52/51/25/1032525125.db2.gz UUHWSGSWXTUEGF-VXGBXAGGSA-N 1 2 336.892 3.959 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+]3CC[C@@H]3C3CC3)cs2)cc1 ZINC000449423704 1032536002 /nfs/dbraw/zinc/53/60/02/1032536002.db2.gz BUKPYJRGEPGLOA-QGZVFWFLSA-N 1 2 330.453 3.715 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+]3CC[C@@H]3C3CC3)cs2)cc1 ZINC000449423704 1032536014 /nfs/dbraw/zinc/53/60/14/1032536014.db2.gz BUKPYJRGEPGLOA-QGZVFWFLSA-N 1 2 330.453 3.715 20 0 EHADLO CN(c1nc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cs1)C1CC1 ZINC000528661768 1032547908 /nfs/dbraw/zinc/54/79/08/1032547908.db2.gz WRMLUYALLVOVLA-QGZVFWFLSA-N 1 2 328.485 3.768 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000089969702 1032549303 /nfs/dbraw/zinc/54/93/03/1032549303.db2.gz PVUXBJSHJWIONE-UHFFFAOYSA-N 1 2 342.386 3.699 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449422698 1032558787 /nfs/dbraw/zinc/55/87/87/1032558787.db2.gz NGGYWEVPMPATSB-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000449422698 1032558790 /nfs/dbraw/zinc/55/87/90/1032558790.db2.gz NGGYWEVPMPATSB-CRAIPNDOSA-N 1 2 337.797 3.779 20 0 EHADLO O=C(NCc1cc2ccccc2o1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000537212615 1032563916 /nfs/dbraw/zinc/56/39/16/1032563916.db2.gz UUNKEGCNSPMZJV-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO CCCC(=O)N[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088430 1032570500 /nfs/dbraw/zinc/57/05/00/1032570500.db2.gz SUXJSOANCZEOEG-HNNXBMFYSA-N 1 2 332.492 3.609 20 0 EHADLO CCC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000090172504 1032577834 /nfs/dbraw/zinc/57/78/34/1032577834.db2.gz UMQXNCCNTWLJAF-AWEZNQCLSA-N 1 2 340.258 3.946 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCCc4sccc4C3)n2)cc1 ZINC000592983225 1032652563 /nfs/dbraw/zinc/65/25/63/1032652563.db2.gz UHHCUNYBDZAABK-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCCc4sccc4C3)n2)cc1 ZINC000592983225 1032652584 /nfs/dbraw/zinc/65/25/84/1032652584.db2.gz UHHCUNYBDZAABK-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc2[nH]ccc21 ZINC000081688443 1032656412 /nfs/dbraw/zinc/65/64/12/1032656412.db2.gz WQACOPUCOGLASK-UHFFFAOYSA-N 1 2 348.450 3.873 20 0 EHADLO Cc1cccc(C2(C(=O)NCCCCNc3cccc[nH+]3)CCC2)c1 ZINC000597779100 1032661677 /nfs/dbraw/zinc/66/16/77/1032661677.db2.gz DSJUOOZZPJTGSM-UHFFFAOYSA-N 1 2 337.467 3.820 20 0 EHADLO O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000602131667 1032662349 /nfs/dbraw/zinc/66/23/49/1032662349.db2.gz ULGHOZKIEUPODJ-LLVKDONJSA-N 1 2 344.465 3.615 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2OC)CC1 ZINC000606433485 1032680628 /nfs/dbraw/zinc/68/06/28/1032680628.db2.gz VNQGFZLGUGIYEI-KRWDZBQOSA-N 1 2 347.409 3.642 20 0 EHADLO Fc1cc(F)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1F ZINC000368003540 1017125623 /nfs/dbraw/zinc/12/56/23/1017125623.db2.gz YUGXTGKYKNEUHD-UHFFFAOYSA-N 1 2 329.753 3.791 20 0 EHADLO CSCc1ccc(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000602151388 1032683786 /nfs/dbraw/zinc/68/37/86/1032683786.db2.gz FGDGKEQMTQSODY-KRWDZBQOSA-N 1 2 331.485 3.650 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000376956018 1017220697 /nfs/dbraw/zinc/22/06/97/1017220697.db2.gz DWHHISNFOSSMSO-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000683520658 1017255665 /nfs/dbraw/zinc/25/56/65/1017255665.db2.gz JXPLTBLYJYHGOF-DOTOQJQBSA-N 1 2 343.858 3.853 20 0 EHADLO Cc1ncccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528727216 1032688948 /nfs/dbraw/zinc/68/89/48/1032688948.db2.gz FUMDVYGTYBYZJQ-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ncccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528727216 1032688955 /nfs/dbraw/zinc/68/89/55/1032688955.db2.gz FUMDVYGTYBYZJQ-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2noc(C3CCC3)n2)cc1 ZINC000625277766 1017280147 /nfs/dbraw/zinc/28/01/47/1017280147.db2.gz QDRKRICNBNYOCS-CQSZACIVSA-N 1 2 329.444 3.656 20 0 EHADLO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2noc(C3CCC3)n2)cc1 ZINC000625277766 1017280156 /nfs/dbraw/zinc/28/01/56/1017280156.db2.gz QDRKRICNBNYOCS-CQSZACIVSA-N 1 2 329.444 3.656 20 0 EHADLO O=C(OCc1ncccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000784966835 1017346195 /nfs/dbraw/zinc/34/61/95/1017346195.db2.gz SQPRWCWIEOBVTF-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)[nH]1 ZINC000659834428 1017363313 /nfs/dbraw/zinc/36/33/13/1017363313.db2.gz SNILGTPTYCXDBA-GFCCVEGCSA-N 1 2 341.484 3.917 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449947 1032695649 /nfs/dbraw/zinc/69/56/49/1032695649.db2.gz KHRMNBLMIKNPOJ-HUUCEWRRSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449947 1032695654 /nfs/dbraw/zinc/69/56/54/1032695654.db2.gz KHRMNBLMIKNPOJ-HUUCEWRRSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c2ccccc21 ZINC000377182050 1017389058 /nfs/dbraw/zinc/38/90/58/1017389058.db2.gz DQLUOZUJHMKWOJ-KGLIPLIRSA-N 1 2 337.398 3.615 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000655737859 1017499627 /nfs/dbraw/zinc/49/96/27/1017499627.db2.gz FMHOZZXAZKEEGP-UHFFFAOYSA-N 1 2 326.469 3.971 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc2N1 ZINC000081792711 1032705343 /nfs/dbraw/zinc/70/53/43/1032705343.db2.gz XFHPYKOHHVZUBJ-IBGZPJMESA-N 1 2 346.434 3.969 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1nnc2n1CCCCC2 ZINC000657864798 1032707630 /nfs/dbraw/zinc/70/76/30/1032707630.db2.gz OFGUEPYBPAQCOJ-ZFWWWQNUSA-N 1 2 339.443 3.948 20 0 EHADLO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCS2 ZINC000655793977 1017624049 /nfs/dbraw/zinc/62/40/49/1017624049.db2.gz FTZBLAKYAJBUQO-CABCVRRESA-N 1 2 344.484 3.600 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655794031 1017625899 /nfs/dbraw/zinc/62/58/99/1017625899.db2.gz HITBYKZENWBZIF-YESZJQIVSA-N 1 2 326.444 3.630 20 0 EHADLO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000655795792 1017631216 /nfs/dbraw/zinc/63/12/16/1017631216.db2.gz BSESNPDKRHYNMY-IAGOWNOFSA-N 1 2 340.471 3.850 20 0 EHADLO Cc1cc(N[C@H](CO)c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000155446381 1017718192 /nfs/dbraw/zinc/71/81/92/1017718192.db2.gz YUVXUHTZKRWIJE-CQSZACIVSA-N 1 2 348.244 3.570 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440149 1017818349 /nfs/dbraw/zinc/81/83/49/1017818349.db2.gz AORUXZURBJCCAJ-MRVWCRGKSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440149 1017818362 /nfs/dbraw/zinc/81/83/62/1017818362.db2.gz AORUXZURBJCCAJ-MRVWCRGKSA-N 1 2 344.377 3.524 20 0 EHADLO Cn1ccc(Nc2cc(-c3ccc(F)cc3)[nH+]c3ccc(N)cc23)n1 ZINC001210357827 1017861880 /nfs/dbraw/zinc/86/18/80/1017861880.db2.gz LMVDUFOFUDWORG-UHFFFAOYSA-N 1 2 333.370 3.522 20 0 EHADLO CCC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000606494362 1032725433 /nfs/dbraw/zinc/72/54/33/1032725433.db2.gz ADILSZYEELJEOK-OAHLLOKOSA-N 1 2 337.533 3.716 20 0 EHADLO CO[C@@H](CC(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000415350835 1017923272 /nfs/dbraw/zinc/92/32/72/1017923272.db2.gz IGTNRAGFCINZKQ-SFHVURJKSA-N 1 2 339.439 3.601 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792666 1017935317 /nfs/dbraw/zinc/93/53/17/1017935317.db2.gz SQNMMUMAGFLXHF-INIZCTEOSA-N 1 2 327.472 3.799 20 0 EHADLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792666 1017935325 /nfs/dbraw/zinc/93/53/25/1017935325.db2.gz SQNMMUMAGFLXHF-INIZCTEOSA-N 1 2 327.472 3.799 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccc(F)c1 ZINC000377547242 1017971147 /nfs/dbraw/zinc/97/11/47/1017971147.db2.gz BTQWWCOUFQWKIV-SJCJKPOMSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccc(F)c1 ZINC000377547242 1017971160 /nfs/dbraw/zinc/97/11/60/1017971160.db2.gz BTQWWCOUFQWKIV-SJCJKPOMSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000431846008 1018026546 /nfs/dbraw/zinc/02/65/46/1018026546.db2.gz QRILKOWSROMZOR-JTSKRJEESA-N 1 2 345.446 3.694 20 0 EHADLO Cc1ccc2cc(C[N@H+](C)Cc3nccn3CC(F)(F)F)ccc2n1 ZINC000275667242 1018029063 /nfs/dbraw/zinc/02/90/63/1018029063.db2.gz FKXRUUPBKWVVSN-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO Cc1ccc2cc(C[N@@H+](C)Cc3nccn3CC(F)(F)F)ccc2n1 ZINC000275667242 1018029074 /nfs/dbraw/zinc/02/90/74/1018029074.db2.gz FKXRUUPBKWVVSN-UHFFFAOYSA-N 1 2 348.372 3.934 20 0 EHADLO Cc1ccc2[nH]c(CNc3ccc(N4CCOCC4)[nH+]c3)cc2c1C ZINC000471470394 1018059209 /nfs/dbraw/zinc/05/92/09/1018059209.db2.gz HTHGBQHSLCHLLY-UHFFFAOYSA-N 1 2 336.439 3.628 20 0 EHADLO O=C(Cn1cc[nH+]c1)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000122951126 1018099901 /nfs/dbraw/zinc/09/99/01/1018099901.db2.gz UGMMPUGSLYNNGK-GOSISDBHSA-N 1 2 343.789 3.581 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[NH2+]C1(c2ccccc2)CCC1 ZINC000728706974 1018190196 /nfs/dbraw/zinc/19/01/96/1018190196.db2.gz KCMGVUYRKCFUFV-UHFFFAOYSA-N 1 2 338.436 3.894 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812716 1018191692 /nfs/dbraw/zinc/19/16/92/1018191692.db2.gz GZVIWHOOEFHKNW-CPCZMJQVSA-N 1 2 328.909 3.917 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812716 1018191698 /nfs/dbraw/zinc/19/16/98/1018191698.db2.gz GZVIWHOOEFHKNW-CPCZMJQVSA-N 1 2 328.909 3.917 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(C2CCCCC2)n[nH]1 ZINC000340513886 1018197903 /nfs/dbraw/zinc/19/79/03/1018197903.db2.gz XNQCHTZWWVOOKH-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)NCCCNc1cccc[nH+]1 ZINC000340520468 1018209719 /nfs/dbraw/zinc/20/97/19/1018209719.db2.gz FNXUAFZHXFNTSP-UHFFFAOYSA-N 1 2 349.887 3.836 20 0 EHADLO C[C@@H](Cc1nc(CCCc2c(F)cccc2F)no1)n1cc[nH+]c1 ZINC000656031126 1018287148 /nfs/dbraw/zinc/28/71/48/1018287148.db2.gz AUXKXIATMXXKDF-LBPRGKRZSA-N 1 2 332.354 3.523 20 0 EHADLO Cc1cc(N2CCCC[C@H]2c2noc(C3CC3)n2)nc(C2CC2)[nH+]1 ZINC000377734680 1018295439 /nfs/dbraw/zinc/29/54/39/1018295439.db2.gz OANVKTKYZDSTDI-AWEZNQCLSA-N 1 2 325.416 3.654 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606570081 1032755676 /nfs/dbraw/zinc/75/56/76/1032755676.db2.gz QWLWZCKVLBUXJI-GFCCVEGCSA-N 1 2 342.374 3.673 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000685310708 1032757879 /nfs/dbraw/zinc/75/78/79/1032757879.db2.gz ZSBJFQKNBMLFRM-VYDXJSESSA-N 1 2 343.858 3.931 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656046674 1018352353 /nfs/dbraw/zinc/35/23/53/1018352353.db2.gz AUAWEXBIMHUKGD-QJPTWQEYSA-N 1 2 344.365 3.958 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000377802891 1018399390 /nfs/dbraw/zinc/39/93/90/1018399390.db2.gz OXVFZYGCMGVUFB-INIZCTEOSA-N 1 2 336.395 3.712 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000092096205 1032763233 /nfs/dbraw/zinc/76/32/33/1032763233.db2.gz DTJIPUDIGKMMGR-NXHRZFHOSA-N 1 2 344.480 3.578 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000092096205 1032763241 /nfs/dbraw/zinc/76/32/41/1032763241.db2.gz DTJIPUDIGKMMGR-NXHRZFHOSA-N 1 2 344.480 3.578 20 0 EHADLO O=C(CCOc1ccc(Cl)cc1Cl)OCCCn1cc[nH+]c1 ZINC000783062497 1018432903 /nfs/dbraw/zinc/43/29/03/1018432903.db2.gz QAPMMOGODBUONM-UHFFFAOYSA-N 1 2 343.210 3.592 20 0 EHADLO CCCn1nc(C)c(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1C ZINC000340558034 1018436128 /nfs/dbraw/zinc/43/61/28/1018436128.db2.gz OAFIDTHLKXDFCH-UHFFFAOYSA-N 1 2 342.365 3.858 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)n1 ZINC000593117615 1032767684 /nfs/dbraw/zinc/76/76/84/1032767684.db2.gz PXMHGOCMNSQTLX-GFCCVEGCSA-N 1 2 348.443 3.621 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)n1 ZINC000593117615 1032767702 /nfs/dbraw/zinc/76/77/02/1032767702.db2.gz PXMHGOCMNSQTLX-GFCCVEGCSA-N 1 2 348.443 3.621 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC(F)(F)C[C@@H]3C)n2)ccc1F ZINC000528766446 1032767189 /nfs/dbraw/zinc/76/71/89/1032767189.db2.gz LATVROVYXRVERX-NSHDSACASA-N 1 2 325.334 3.804 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@@H]3C)n2)ccc1F ZINC000528766446 1032767208 /nfs/dbraw/zinc/76/72/08/1032767208.db2.gz LATVROVYXRVERX-NSHDSACASA-N 1 2 325.334 3.804 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606580663 1032768053 /nfs/dbraw/zinc/76/80/53/1032768053.db2.gz YTCWTCWVUFCYBQ-QGZVFWFLSA-N 1 2 336.395 3.712 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000377881962 1018509283 /nfs/dbraw/zinc/50/92/83/1018509283.db2.gz BJBVLFZQLLQPCI-CVEARBPZSA-N 1 2 343.345 3.651 20 0 EHADLO FC(F)(F)Oc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000377881962 1018509295 /nfs/dbraw/zinc/50/92/95/1018509295.db2.gz BJBVLFZQLLQPCI-CVEARBPZSA-N 1 2 343.345 3.651 20 0 EHADLO O=C(NCC1(c2ccccc2)CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606581930 1032768766 /nfs/dbraw/zinc/76/87/66/1032768766.db2.gz WUNCZJNRUXPZDT-UHFFFAOYSA-N 1 2 334.423 3.968 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000045162206 1018583312 /nfs/dbraw/zinc/58/33/12/1018583312.db2.gz AOYJPKHOLJAWEI-UHFFFAOYSA-N 1 2 337.876 3.615 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)C(C)C ZINC000275798891 1018680684 /nfs/dbraw/zinc/68/06/84/1018680684.db2.gz KROGYXUFFPPBLC-UHFFFAOYSA-N 1 2 331.504 3.829 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816602 1018680757 /nfs/dbraw/zinc/68/07/57/1018680757.db2.gz UDENEPYWQWETSI-RTBURBONSA-N 1 2 330.859 3.804 20 0 EHADLO COC[C@@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000683816602 1018680761 /nfs/dbraw/zinc/68/07/61/1018680761.db2.gz UDENEPYWQWETSI-RTBURBONSA-N 1 2 330.859 3.804 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000028175683 1018680994 /nfs/dbraw/zinc/68/09/94/1018680994.db2.gz DFEYEXDFQVEDTR-CYBMUJFWSA-N 1 2 344.505 3.634 20 0 EHADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000028175683 1018680999 /nfs/dbraw/zinc/68/09/99/1018680999.db2.gz DFEYEXDFQVEDTR-CYBMUJFWSA-N 1 2 344.505 3.634 20 0 EHADLO CCc1cc2oc(=O)cc(C[N@H+](CC)C[C@H](C)C#N)c2cc1Cl ZINC000049982322 1018712425 /nfs/dbraw/zinc/71/24/25/1018712425.db2.gz XXRFJOIGXBGICT-GFCCVEGCSA-N 1 2 332.831 3.990 20 0 EHADLO CCc1cc2oc(=O)cc(C[N@@H+](CC)C[C@H](C)C#N)c2cc1Cl ZINC000049982322 1018712436 /nfs/dbraw/zinc/71/24/36/1018712436.db2.gz XXRFJOIGXBGICT-GFCCVEGCSA-N 1 2 332.831 3.990 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000449563834 1032785983 /nfs/dbraw/zinc/78/59/83/1032785983.db2.gz YXCAACRWYDXTNU-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)Nc1ccn2cc[nH+]c2c1 ZINC000350146312 1018852945 /nfs/dbraw/zinc/85/29/45/1018852945.db2.gz LJRXDUYXELVZMR-UHFFFAOYSA-N 1 2 331.828 3.860 20 0 EHADLO O=C1COc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc2N1 ZINC000312755713 1018896153 /nfs/dbraw/zinc/89/61/53/1018896153.db2.gz FHXCGLUUEIFJKA-UHFFFAOYSA-N 1 2 343.235 3.676 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(Cl)c(Br)c2)s1 ZINC000289926835 1018943111 /nfs/dbraw/zinc/94/31/11/1018943111.db2.gz VXAGGSOMWKJVQH-UHFFFAOYSA-N 1 2 346.681 3.806 20 0 EHADLO O=C(/C=C\SCc1ccco1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000255342163 1018966267 /nfs/dbraw/zinc/96/62/67/1018966267.db2.gz OLGYQXZURFLNAH-UITAMQMPSA-N 1 2 343.383 3.990 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340627964 1018997659 /nfs/dbraw/zinc/99/76/59/1018997659.db2.gz UMYSZZNPMZGGLU-FQEVSTJZSA-N 1 2 333.435 3.683 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000513127304 1019040942 /nfs/dbraw/zinc/04/09/42/1019040942.db2.gz GFEFRBMMUARKSQ-ASNKMWSDSA-N 1 2 331.456 3.652 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000513127304 1019040957 /nfs/dbraw/zinc/04/09/57/1019040957.db2.gz GFEFRBMMUARKSQ-ASNKMWSDSA-N 1 2 331.456 3.652 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340671269 1019152482 /nfs/dbraw/zinc/15/24/82/1019152482.db2.gz HAXOWIOSLQYASH-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000449561174 1032811985 /nfs/dbraw/zinc/81/19/85/1032811985.db2.gz BEIAOFRTNDUXFQ-AWEZNQCLSA-N 1 2 341.434 3.695 20 0 EHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nc(C(F)(F)F)ccc1=O ZINC000178858120 1019164028 /nfs/dbraw/zinc/16/40/28/1019164028.db2.gz RDRQIFJOGBOTQN-CYBMUJFWSA-N 1 2 339.361 3.520 20 0 EHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nc(C(F)(F)F)ccc1=O ZINC000178858120 1019164030 /nfs/dbraw/zinc/16/40/30/1019164030.db2.gz RDRQIFJOGBOTQN-CYBMUJFWSA-N 1 2 339.361 3.520 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000729048234 1019166551 /nfs/dbraw/zinc/16/65/51/1019166551.db2.gz DBCDWSXKYYKMNF-ROUUACIJSA-N 1 2 340.471 3.886 20 0 EHADLO C[C@@H](c1cccc(NC(=S)Nc2ccccc2)c1)[NH+]1CCOCC1 ZINC000729163748 1019213003 /nfs/dbraw/zinc/21/30/03/1019213003.db2.gz QOGFODUDNFOTAM-HNNXBMFYSA-N 1 2 341.480 3.889 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000729251911 1019249197 /nfs/dbraw/zinc/24/91/97/1019249197.db2.gz ZPGNAIVEZZHFOP-DVQDXYAYSA-N 1 2 338.426 3.744 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000729251196 1019249862 /nfs/dbraw/zinc/24/98/62/1019249862.db2.gz NUJSWCGDESELQI-YVACAVLKSA-N 1 2 344.455 3.806 20 0 EHADLO Fc1cc2[nH+]ccc(NCc3nc([C@H]4CCCO4)n[nH]3)c2cc1Cl ZINC000656208675 1019273763 /nfs/dbraw/zinc/27/37/63/1019273763.db2.gz XBHMKZLTILKOEH-CQSZACIVSA-N 1 2 347.781 3.609 20 0 EHADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000153784035 1019314204 /nfs/dbraw/zinc/31/42/04/1019314204.db2.gz RRWJHMYDGWKPPW-KRWDZBQOSA-N 1 2 340.471 3.989 20 0 EHADLO Cc1ccc(-c2ccc(C[N@@H+]3CC[S@](=O)C(C)(C)CC3)o2)cc1 ZINC000449571385 1032824513 /nfs/dbraw/zinc/82/45/13/1032824513.db2.gz KEJHSARBMYRFPO-QHCPKHFHSA-N 1 2 331.481 3.988 20 0 EHADLO Cc1ccc(-c2ccc(C[N@H+]3CC[S@](=O)C(C)(C)CC3)o2)cc1 ZINC000449571385 1032824527 /nfs/dbraw/zinc/82/45/27/1032824527.db2.gz KEJHSARBMYRFPO-QHCPKHFHSA-N 1 2 331.481 3.988 20 0 EHADLO Fc1cccn2cc(C[NH2+]Cc3cc(F)c(Cl)cc3F)nc12 ZINC000683933972 1019336156 /nfs/dbraw/zinc/33/61/56/1019336156.db2.gz WPPZSMUCGPXIQJ-UHFFFAOYSA-N 1 2 325.721 3.695 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576595448 1019352813 /nfs/dbraw/zinc/35/28/13/1019352813.db2.gz LHXFFLFALQRSSG-CYBMUJFWSA-N 1 2 343.496 3.638 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)c2nccn21 ZINC000449569434 1032822243 /nfs/dbraw/zinc/82/22/43/1032822243.db2.gz HCKGVOODKAMWFR-YOEHRIQHSA-N 1 2 338.480 3.920 20 0 EHADLO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F)c1ccccc1 ZINC000513236002 1019462154 /nfs/dbraw/zinc/46/21/54/1019462154.db2.gz HKRLABIYTJOJTO-ORAYPTAESA-N 1 2 347.409 3.524 20 0 EHADLO O=C(/C=C\SCc1ccco1)NCc1ccccc1-n1cc[nH+]c1 ZINC000255554764 1019468424 /nfs/dbraw/zinc/46/84/24/1019468424.db2.gz OIOBXSAJZNQBFE-XFFZJAGNSA-N 1 2 339.420 3.529 20 0 EHADLO CCc1ccc(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000050254250 1019469019 /nfs/dbraw/zinc/46/90/19/1019469019.db2.gz OWCLSWYRQZBHHQ-UHFFFAOYSA-N 1 2 329.469 3.756 20 0 EHADLO COc1ccc2oc([C@@H](C)Nc3[nH+]c(C)nc4[nH]ccc43)c(C)c2c1 ZINC000433786519 1019618173 /nfs/dbraw/zinc/61/81/73/1019618173.db2.gz NWEPNKYEKZHXSF-LLVKDONJSA-N 1 2 336.395 3.925 20 0 EHADLO c1c(Cc2nc(CSCc3ccccc3)no2)[nH+]c2n1CCCC2 ZINC000593292923 1032851712 /nfs/dbraw/zinc/85/17/12/1032851712.db2.gz CQBOIBYHSZALBW-UHFFFAOYSA-N 1 2 340.452 3.627 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC2(C1)CCCCC2 ZINC000175960927 1019921849 /nfs/dbraw/zinc/92/18/49/1019921849.db2.gz PZQUVEFIEILUEJ-UHFFFAOYSA-N 1 2 338.455 3.738 20 0 EHADLO Cc1csc(-c2cccc(C(=O)NCCCCn3cc[nH+]c3)c2)n1 ZINC000606845845 1032862100 /nfs/dbraw/zinc/86/21/00/1032862100.db2.gz IRKPYNFJUQPGAX-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3cccc(C)c3)CCC2)c1C ZINC000050448487 1019926548 /nfs/dbraw/zinc/92/65/48/1019926548.db2.gz GIODONWUEFHNJR-UHFFFAOYSA-N 1 2 338.451 3.754 20 0 EHADLO CCc1ccc(CCC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000050449266 1019929589 /nfs/dbraw/zinc/92/95/89/1019929589.db2.gz ZDJWGDNWNKKNHZ-UHFFFAOYSA-N 1 2 326.440 3.518 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)c1ccccc1 ZINC000247298264 1019967423 /nfs/dbraw/zinc/96/74/23/1019967423.db2.gz URKVQYMQPJIXJY-LPHOPBHVSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)c1ccccc1 ZINC000247298264 1019967430 /nfs/dbraw/zinc/96/74/30/1019967430.db2.gz URKVQYMQPJIXJY-LPHOPBHVSA-N 1 2 340.492 3.654 20 0 EHADLO C[C@H]1C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)C1 ZINC000580770130 1019993449 /nfs/dbraw/zinc/99/34/49/1019993449.db2.gz SFSDNTSJKPVGFK-IDCNUPLLSA-N 1 2 325.456 3.873 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000255777820 1020026200 /nfs/dbraw/zinc/02/62/00/1020026200.db2.gz SLUOQBOCNWIRQJ-UABKOXTMSA-N 1 2 349.478 3.699 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccnn1C(C)C ZINC000280091088 1020052642 /nfs/dbraw/zinc/05/26/42/1020052642.db2.gz SOIAWPJLAKTAOT-UHFFFAOYSA-N 1 2 341.459 3.852 20 0 EHADLO Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1ccon1 ZINC000760332507 1032874786 /nfs/dbraw/zinc/87/47/86/1032874786.db2.gz ZNXWUGKOSYLSBZ-ZDUSSCGKSA-N 1 2 327.609 3.868 20 0 EHADLO C[C@@H](Cc1nc(CCCc2ccccc2Cl)no1)n1cc[nH+]c1 ZINC000580837861 1020121522 /nfs/dbraw/zinc/12/15/22/1020121522.db2.gz XPIDLXXJYGVMGT-ZDUSSCGKSA-N 1 2 330.819 3.899 20 0 EHADLO CC(C)O[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000345303089 1020140684 /nfs/dbraw/zinc/14/06/84/1020140684.db2.gz MSPVUVCQRXBRDO-HXUWFJFHSA-N 1 2 349.434 3.655 20 0 EHADLO CCc1nc(C(C)C)ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000345306782 1020144159 /nfs/dbraw/zinc/14/41/59/1020144159.db2.gz RNEOIOLEGHCGRU-UHFFFAOYSA-N 1 2 348.450 3.883 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000280168444 1020148974 /nfs/dbraw/zinc/14/89/74/1020148974.db2.gz YZBXESOMHKCSPM-UKRRQHHQSA-N 1 2 339.439 3.965 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000280188260 1020151964 /nfs/dbraw/zinc/15/19/64/1020151964.db2.gz HSYOWAIDJQOIRC-UHFFFAOYSA-N 1 2 339.443 3.688 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC=C(c3cccc(C)c3C)CC2)c[nH+]1 ZINC000891342667 1020232441 /nfs/dbraw/zinc/23/24/41/1020232441.db2.gz OSZCRJHDPOYICK-UHFFFAOYSA-N 1 2 337.467 3.859 20 0 EHADLO COCc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000093532451 1032895944 /nfs/dbraw/zinc/89/59/44/1032895944.db2.gz RVNUMPYSCHTGEY-UHFFFAOYSA-N 1 2 331.256 3.743 20 0 EHADLO COCc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000093532451 1032895962 /nfs/dbraw/zinc/89/59/62/1032895962.db2.gz RVNUMPYSCHTGEY-UHFFFAOYSA-N 1 2 331.256 3.743 20 0 EHADLO CCCc1csc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000345573693 1020368915 /nfs/dbraw/zinc/36/89/15/1020368915.db2.gz SBCSUBOXTYTCQF-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO CCC[C@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434096815 1020372839 /nfs/dbraw/zinc/37/28/39/1020372839.db2.gz YXXFJOZLDKODJN-INIZCTEOSA-N 1 2 332.492 3.687 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000280440850 1020384408 /nfs/dbraw/zinc/38/44/08/1020384408.db2.gz MZSGZQWKFAYBQB-KBXCAEBGSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000280440850 1020384418 /nfs/dbraw/zinc/38/44/18/1020384418.db2.gz MZSGZQWKFAYBQB-KBXCAEBGSA-N 1 2 339.863 3.507 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)c(F)c1 ZINC000345605612 1020398692 /nfs/dbraw/zinc/39/86/92/1020398692.db2.gz AQHOGWQGQIQYHB-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000280477183 1020413172 /nfs/dbraw/zinc/41/31/72/1020413172.db2.gz NNTPZPSKDOXMBN-QFIPXVFZSA-N 1 2 337.872 3.718 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000280477183 1020413180 /nfs/dbraw/zinc/41/31/80/1020413180.db2.gz NNTPZPSKDOXMBN-QFIPXVFZSA-N 1 2 337.872 3.718 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2cc(C)nc3ccccc23)c1 ZINC000656371940 1020413876 /nfs/dbraw/zinc/41/38/76/1020413876.db2.gz OWVWFSVCKLSLKT-OAQYLSRUSA-N 1 2 345.446 3.525 20 0 EHADLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2cc(C)nc3ccccc23)c1 ZINC000656371940 1020413882 /nfs/dbraw/zinc/41/38/82/1020413882.db2.gz OWVWFSVCKLSLKT-OAQYLSRUSA-N 1 2 345.446 3.525 20 0 EHADLO CCCn1c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000345748092 1020494746 /nfs/dbraw/zinc/49/47/46/1020494746.db2.gz WIOZANJMTCJWMH-SFHVURJKSA-N 1 2 349.434 3.740 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000340877349 1020527905 /nfs/dbraw/zinc/52/79/05/1020527905.db2.gz RSZDGAGGAXBGAW-IBGZPJMESA-N 1 2 329.465 3.606 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000340877349 1020527910 /nfs/dbraw/zinc/52/79/10/1020527910.db2.gz RSZDGAGGAXBGAW-IBGZPJMESA-N 1 2 329.465 3.606 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000345888054 1020576308 /nfs/dbraw/zinc/57/63/08/1020576308.db2.gz WCPXJSSMACHRFQ-QFBILLFUSA-N 1 2 325.456 3.764 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000280736648 1020621939 /nfs/dbraw/zinc/62/19/39/1020621939.db2.gz ZIFXGHRWEPNBFY-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345957587 1020630558 /nfs/dbraw/zinc/63/05/58/1020630558.db2.gz BWVRJSSTKHUHER-VHPHOLNESA-N 1 2 347.503 3.667 20 0 EHADLO CCCc1csc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC000581303538 1020653200 /nfs/dbraw/zinc/65/32/00/1020653200.db2.gz DGOADXXGVAVWON-AWEZNQCLSA-N 1 2 336.423 3.621 20 0 EHADLO COC(=O)[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[C@H](OC)C1 ZINC000581313918 1020667234 /nfs/dbraw/zinc/66/72/34/1020667234.db2.gz VYINXMIBOHTLOR-IMFGXOCKSA-N 1 2 341.451 3.676 20 0 EHADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000581371687 1020755086 /nfs/dbraw/zinc/75/50/86/1020755086.db2.gz IFSQYMUTYFBORY-UZLBHIALSA-N 1 2 341.430 3.593 20 0 EHADLO CCc1nc(SCc2c[nH+]cn2Cc2ccccc2)[nH]c(=O)c1C ZINC000581381000 1020765667 /nfs/dbraw/zinc/76/56/67/1020765667.db2.gz MKRPATRGCMJEKY-UHFFFAOYSA-N 1 2 340.452 3.590 20 0 EHADLO c1ccc(N2Cc3cccc(NCc4cnc(C5CC5)nc4)c3C2)[nH+]c1 ZINC000656511757 1020784621 /nfs/dbraw/zinc/78/46/21/1020784621.db2.gz OPBMKYJIRMKWHY-UHFFFAOYSA-N 1 2 343.434 3.881 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340999218 1020804747 /nfs/dbraw/zinc/80/47/47/1020804747.db2.gz NVTQSVZIVOOEOS-AZUAARDMSA-N 1 2 331.419 3.682 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000341007256 1020834672 /nfs/dbraw/zinc/83/46/72/1020834672.db2.gz CANYXTHUANWGHF-UHFFFAOYSA-N 1 2 344.434 3.733 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1c(Cl)ccc3cccnc31)C2 ZINC000933261108 1020835432 /nfs/dbraw/zinc/83/54/32/1020835432.db2.gz ARDACSUXVGFVKT-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000348666740 1020871807 /nfs/dbraw/zinc/87/18/07/1020871807.db2.gz BQZLJNNIXIOZPL-UHFFFAOYSA-N 1 2 349.303 3.851 20 0 EHADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000348666740 1020871819 /nfs/dbraw/zinc/87/18/19/1020871819.db2.gz BQZLJNNIXIOZPL-UHFFFAOYSA-N 1 2 349.303 3.851 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000341036692 1020896009 /nfs/dbraw/zinc/89/60/09/1020896009.db2.gz QJXDSVYBPGJQRA-HOTGVXAUSA-N 1 2 326.444 3.592 20 0 EHADLO c1ccc([C@H]2CC[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)O2)cc1 ZINC000341041232 1020898705 /nfs/dbraw/zinc/89/87/05/1020898705.db2.gz JMTRHBFLBQGRKC-ZWKOTPCHSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@H]2CC[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)O2)cc1 ZINC000341041232 1020898720 /nfs/dbraw/zinc/89/87/20/1020898720.db2.gz JMTRHBFLBQGRKC-ZWKOTPCHSA-N 1 2 338.455 3.799 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000071828871 1020907078 /nfs/dbraw/zinc/90/70/78/1020907078.db2.gz CHFCEFSKNGFDOK-UHFFFAOYSA-N 1 2 335.407 3.666 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000341048649 1020915375 /nfs/dbraw/zinc/91/53/75/1020915375.db2.gz YVSMBMRSIHZMIX-OAHLLOKOSA-N 1 2 326.444 3.640 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891402506 1020924099 /nfs/dbraw/zinc/92/40/99/1020924099.db2.gz YNNZVZRCTNPRBY-CQSZACIVSA-N 1 2 339.443 3.746 20 0 EHADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891402506 1020924103 /nfs/dbraw/zinc/92/41/03/1020924103.db2.gz YNNZVZRCTNPRBY-CQSZACIVSA-N 1 2 339.443 3.746 20 0 EHADLO C[C@H]1Oc2ccccc2[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000341050326 1020924917 /nfs/dbraw/zinc/92/49/17/1020924917.db2.gz PUAZUTCSOHRJRH-ACJLOTCBSA-N 1 2 343.390 3.750 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000341070344 1020953327 /nfs/dbraw/zinc/95/33/27/1020953327.db2.gz IAELTRKBPWXZTE-JTQLQIEISA-N 1 2 327.302 3.936 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000341070345 1020953433 /nfs/dbraw/zinc/95/34/33/1020953433.db2.gz IAELTRKBPWXZTE-SNVBAGLBSA-N 1 2 327.302 3.936 20 0 EHADLO CC(=O)c1cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)ccc1F ZINC000341073789 1020954472 /nfs/dbraw/zinc/95/44/72/1020954472.db2.gz OZWWNKMQAXZSPL-UHFFFAOYSA-N 1 2 337.354 3.775 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000276251052 1020961616 /nfs/dbraw/zinc/96/16/16/1020961616.db2.gz NHFMWLIFJIJQKF-SNVBAGLBSA-N 1 2 331.363 3.961 20 0 EHADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000276251052 1020961625 /nfs/dbraw/zinc/96/16/25/1020961625.db2.gz NHFMWLIFJIJQKF-SNVBAGLBSA-N 1 2 331.363 3.961 20 0 EHADLO C[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000341110735 1020985878 /nfs/dbraw/zinc/98/58/78/1020985878.db2.gz ONOLVLCQTBSYGP-HOTGVXAUSA-N 1 2 325.412 3.503 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143394791 1021025597 /nfs/dbraw/zinc/02/55/97/1021025597.db2.gz QNKIYGSZXWKRKN-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001143394791 1021025603 /nfs/dbraw/zinc/02/56/03/1021025603.db2.gz QNKIYGSZXWKRKN-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CO[C@@H](CNc1ccccc1C[NH+]1CCOCC1)C1CCCCC1 ZINC000656642594 1021076779 /nfs/dbraw/zinc/07/67/79/1021076779.db2.gz NPSUSGUZNWJXBR-FQEVSTJZSA-N 1 2 332.488 3.526 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000341216135 1021116095 /nfs/dbraw/zinc/11/60/95/1021116095.db2.gz FVEVVRGMDSOPLM-LBPRGKRZSA-N 1 2 349.390 3.941 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)c1 ZINC000341220997 1021118957 /nfs/dbraw/zinc/11/89/57/1021118957.db2.gz OLYCICZJWXZKOR-HNNXBMFYSA-N 1 2 337.423 3.828 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(-c3ccco3)cc2F)c[nH+]1 ZINC000897608506 1032956092 /nfs/dbraw/zinc/95/60/92/1032956092.db2.gz RHUINNBVIYPZHA-UHFFFAOYSA-N 1 2 341.386 3.642 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000341226434 1021129449 /nfs/dbraw/zinc/12/94/49/1021129449.db2.gz HVCMATBZFVXLJF-UHFFFAOYSA-N 1 2 328.481 3.631 20 0 EHADLO Cc1ccc(C)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341236322 1021146307 /nfs/dbraw/zinc/14/63/07/1021146307.db2.gz GXZGGGCBSFQSTL-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1)c1cscn1 ZINC000656682181 1021163084 /nfs/dbraw/zinc/16/30/84/1021163084.db2.gz QUUNWGWFEUEMOY-AGIUHOORSA-N 1 2 343.452 3.806 20 0 EHADLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccs1 ZINC000341244040 1021167068 /nfs/dbraw/zinc/16/70/68/1021167068.db2.gz TVKIAPXIJAZEGR-HNNXBMFYSA-N 1 2 331.485 3.767 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccccc2F)CCCC1 ZINC000075551756 1021168949 /nfs/dbraw/zinc/16/89/49/1021168949.db2.gz QXKXYPPPXWQMCF-HNNXBMFYSA-N 1 2 341.430 3.767 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000276398343 1021180722 /nfs/dbraw/zinc/18/07/22/1021180722.db2.gz OBRHPRRKOYSMFG-VIFPVBQESA-N 1 2 331.363 3.806 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@@H](C)c3ccc[nH]3)cs2)cc1 ZINC000760446026 1032960185 /nfs/dbraw/zinc/96/01/85/1032960185.db2.gz QWDBSVASYSLPMT-ZDUSSCGKSA-N 1 2 343.452 3.910 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000505881089 1021221621 /nfs/dbraw/zinc/22/16/21/1021221621.db2.gz DXNSKDDHZHOVOD-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000505881089 1021221631 /nfs/dbraw/zinc/22/16/31/1021221631.db2.gz DXNSKDDHZHOVOD-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)o1)NCCCCn1cc[nH+]c1 ZINC000516268185 1021251576 /nfs/dbraw/zinc/25/15/76/1021251576.db2.gz PPHLLOPNZPAXGY-UHFFFAOYSA-N 1 2 337.423 3.672 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000664872800 1021339071 /nfs/dbraw/zinc/33/90/71/1021339071.db2.gz WABXFAZMSAFXAP-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000664872800 1021339091 /nfs/dbraw/zinc/33/90/91/1021339091.db2.gz WABXFAZMSAFXAP-UHFFFAOYSA-N 1 2 340.471 3.556 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439321690 1021347239 /nfs/dbraw/zinc/34/72/39/1021347239.db2.gz UXZPSCCGLUEGHW-GFCCVEGCSA-N 1 2 349.841 3.683 20 0 EHADLO Cc1cccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1O ZINC000436902439 1021364996 /nfs/dbraw/zinc/36/49/96/1021364996.db2.gz PYTZAMKFXHFMCN-UHFFFAOYSA-N 1 2 332.363 3.662 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000139147336 1032976680 /nfs/dbraw/zinc/97/66/80/1032976680.db2.gz CDPMZWDECQJLKY-SFHVURJKSA-N 1 2 345.826 3.685 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000139147336 1032976695 /nfs/dbraw/zinc/97/66/95/1032976695.db2.gz CDPMZWDECQJLKY-SFHVURJKSA-N 1 2 345.826 3.685 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nc(C(C)(C)C)cs1)C2 ZINC000664874284 1021402462 /nfs/dbraw/zinc/40/24/62/1021402462.db2.gz JIOUGMHAVGRSFS-UHFFFAOYSA-N 1 2 332.517 3.759 20 0 EHADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nc(C(C)(C)C)cs1)C2 ZINC000664874284 1021402468 /nfs/dbraw/zinc/40/24/68/1021402468.db2.gz JIOUGMHAVGRSFS-UHFFFAOYSA-N 1 2 332.517 3.759 20 0 EHADLO c1cc(Oc2ccccc2)oc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000507626840 1021408692 /nfs/dbraw/zinc/40/86/92/1021408692.db2.gz UISIFFWMLIPCAW-UHFFFAOYSA-N 1 2 335.407 3.789 20 0 EHADLO Clc1ccc2c(cc3n2CCN(Cc2cccc4[nH+]ccn42)C3)c1 ZINC000426376413 1021414911 /nfs/dbraw/zinc/41/49/11/1021414911.db2.gz DRFDBTFSZRJNFC-UHFFFAOYSA-N 1 2 336.826 3.958 20 0 EHADLO O=C(CCSCc1ccccn1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000139195836 1032978149 /nfs/dbraw/zinc/97/81/49/1032978149.db2.gz ITJMLJHDFMJTPR-UHFFFAOYSA-N 1 2 338.436 3.529 20 0 EHADLO OCC[N@H+](Cc1cccc(F)c1)Cc1c(F)cccc1N1CCCC1 ZINC000426380212 1021423530 /nfs/dbraw/zinc/42/35/30/1021423530.db2.gz REGCQMDGBYBBKD-UHFFFAOYSA-N 1 2 346.421 3.560 20 0 EHADLO OCC[N@@H+](Cc1cccc(F)c1)Cc1c(F)cccc1N1CCCC1 ZINC000426380212 1021423536 /nfs/dbraw/zinc/42/35/36/1021423536.db2.gz REGCQMDGBYBBKD-UHFFFAOYSA-N 1 2 346.421 3.560 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000507665568 1021433735 /nfs/dbraw/zinc/43/37/35/1021433735.db2.gz KXTVNXDHLHKFNJ-INIZCTEOSA-N 1 2 330.497 3.884 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000507665568 1021433742 /nfs/dbraw/zinc/43/37/42/1021433742.db2.gz KXTVNXDHLHKFNJ-INIZCTEOSA-N 1 2 330.497 3.884 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(C2CC2)c1 ZINC000518713409 1021445101 /nfs/dbraw/zinc/44/51/01/1021445101.db2.gz FILDQGQHGZSNEC-CQSZACIVSA-N 1 2 338.455 3.937 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(C2CC2)c1 ZINC000518713409 1021445111 /nfs/dbraw/zinc/44/51/11/1021445111.db2.gz FILDQGQHGZSNEC-CQSZACIVSA-N 1 2 338.455 3.937 20 0 EHADLO Clc1ccc2ncc(CNc3ccc(N4CCCC4)c[nH+]3)n2c1 ZINC000427521035 1021450331 /nfs/dbraw/zinc/45/03/31/1021450331.db2.gz GIGJMJJWBCOFGW-UHFFFAOYSA-N 1 2 327.819 3.595 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000427526203 1021460230 /nfs/dbraw/zinc/46/02/30/1021460230.db2.gz BTISNCRAFWBGLX-IBGZPJMESA-N 1 2 325.456 3.597 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCC[C@H]3C(=O)OC(C)(C)C)cc2s1 ZINC000426401106 1021482782 /nfs/dbraw/zinc/48/27/82/1021482782.db2.gz NEWVKJSEEIADSA-HNNXBMFYSA-N 1 2 332.469 3.911 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCC[C@H]3C(=O)OC(C)(C)C)cc2s1 ZINC000426401106 1021482790 /nfs/dbraw/zinc/48/27/90/1021482790.db2.gz NEWVKJSEEIADSA-HNNXBMFYSA-N 1 2 332.469 3.911 20 0 EHADLO Cc1noc([C@@H](C)[N@H+](C)CCOc2c(Cl)cccc2Cl)n1 ZINC000516488614 1021483459 /nfs/dbraw/zinc/48/34/59/1021483459.db2.gz YZIDARZMBUBKLD-SECBINFHSA-N 1 2 330.215 3.757 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+](C)CCOc2c(Cl)cccc2Cl)n1 ZINC000516488614 1021483465 /nfs/dbraw/zinc/48/34/65/1021483465.db2.gz YZIDARZMBUBKLD-SECBINFHSA-N 1 2 330.215 3.757 20 0 EHADLO COc1ccncc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000341346133 1021485399 /nfs/dbraw/zinc/48/53/99/1021485399.db2.gz FNFFEYLEDSSUIQ-UHFFFAOYSA-N 1 2 335.407 3.869 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)c1cncnc1)CCO2 ZINC000437056301 1021512981 /nfs/dbraw/zinc/51/29/81/1021512981.db2.gz QCCOXQYSJYMNRA-UYAOXDASSA-N 1 2 335.382 3.819 20 0 EHADLO CC(C)[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656712 1032986065 /nfs/dbraw/zinc/98/60/65/1032986065.db2.gz MAEXFPWZIFKRAD-JKSUJKDBSA-N 1 2 330.463 3.590 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000449658013 1032986633 /nfs/dbraw/zinc/98/66/33/1032986633.db2.gz RTIKSENVHLZHAF-YOEHRIQHSA-N 1 2 338.442 3.665 20 0 EHADLO COc1ccc(CC[C@H](C)Nc2ccc(N3CCCC3)c[nH+]2)cc1O ZINC000426419790 1021539312 /nfs/dbraw/zinc/53/93/12/1021539312.db2.gz MMHNDDSQODOJFL-HNNXBMFYSA-N 1 2 341.455 3.829 20 0 EHADLO Cn1c[nH+]c2cc(Nc3nc(C(F)F)nc4ccccc43)ccc21 ZINC000439696220 1021649812 /nfs/dbraw/zinc/64/98/12/1021649812.db2.gz NAEWCFZODIMKOD-UHFFFAOYSA-N 1 2 325.322 3.620 20 0 EHADLO CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000437228073 1021653693 /nfs/dbraw/zinc/65/36/93/1021653693.db2.gz VEJZHLVZNJAUJL-VQTJNVASSA-N 1 2 347.418 3.557 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@H](C)O1 ZINC000439772007 1021711456 /nfs/dbraw/zinc/71/14/56/1021711456.db2.gz FNAAYRMUONWFRS-ZFWWWQNUSA-N 1 2 335.444 3.790 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C[C@H](C)O1 ZINC000439772007 1021711469 /nfs/dbraw/zinc/71/14/69/1021711469.db2.gz FNAAYRMUONWFRS-ZFWWWQNUSA-N 1 2 335.444 3.790 20 0 EHADLO O=C(NC1CCCCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516765453 1021713639 /nfs/dbraw/zinc/71/36/39/1021713639.db2.gz DNIDJLADYJQXQH-GOSISDBHSA-N 1 2 332.513 3.616 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)[C@H]1OCCc2sccc21 ZINC000519822774 1021717421 /nfs/dbraw/zinc/71/74/21/1021717421.db2.gz FDWNROZIFXUPBE-MEDUHNTESA-N 1 2 333.457 3.581 20 0 EHADLO Cc1cnc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)s1 ZINC000449663544 1032999105 /nfs/dbraw/zinc/99/91/05/1032999105.db2.gz ACOYDVKWRZINFD-CQSZACIVSA-N 1 2 331.268 3.756 20 0 EHADLO CCC[N@H+](CC(=O)N(C)CC)[C@@H](C)c1ccccc1Br ZINC000519904218 1021770537 /nfs/dbraw/zinc/77/05/37/1021770537.db2.gz ZAANZZUGOJIVBO-ZDUSSCGKSA-N 1 2 341.293 3.700 20 0 EHADLO CCC[N@@H+](CC(=O)N(C)CC)[C@@H](C)c1ccccc1Br ZINC000519904218 1021770553 /nfs/dbraw/zinc/77/05/53/1021770553.db2.gz ZAANZZUGOJIVBO-ZDUSSCGKSA-N 1 2 341.293 3.700 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593685933 1033006804 /nfs/dbraw/zinc/00/68/04/1033006804.db2.gz BWPHGVJXGDDMGD-IAGOWNOFSA-N 1 2 341.455 3.563 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC2CC2)c(C)c1 ZINC000440808027 1021799506 /nfs/dbraw/zinc/79/95/06/1021799506.db2.gz WWBWBIAQYRSLTP-LPHOPBHVSA-N 1 2 340.471 3.729 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000519941083 1021801710 /nfs/dbraw/zinc/80/17/10/1021801710.db2.gz VCDAQMBWZRQFJI-XEYPJELSSA-N 1 2 344.499 3.628 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000519941083 1021801727 /nfs/dbraw/zinc/80/17/27/1021801727.db2.gz VCDAQMBWZRQFJI-XEYPJELSSA-N 1 2 344.499 3.628 20 0 EHADLO CCC(CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440837322 1021812417 /nfs/dbraw/zinc/81/24/17/1021812417.db2.gz XACLIQHOMHYITE-SFHVURJKSA-N 1 2 328.460 3.729 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1c[nH+]cn1C ZINC000276562957 1021812739 /nfs/dbraw/zinc/81/27/39/1021812739.db2.gz KEQOASNIRHTQRA-LLVKDONJSA-N 1 2 340.254 3.879 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1Cl ZINC000343185960 1021829490 /nfs/dbraw/zinc/82/94/90/1021829490.db2.gz BDGSOGRXBAMFOL-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440902468 1021857448 /nfs/dbraw/zinc/85/74/48/1021857448.db2.gz GYRYXMKDROEPLY-OAHLLOKOSA-N 1 2 344.430 3.993 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000440902468 1021857466 /nfs/dbraw/zinc/85/74/66/1021857466.db2.gz GYRYXMKDROEPLY-OAHLLOKOSA-N 1 2 344.430 3.993 20 0 EHADLO Cc1cc(CN(C(=O)Cn2cc[nH+]c2)C2CCCC2)c2ccccc2n1 ZINC000516944465 1021862808 /nfs/dbraw/zinc/86/28/08/1021862808.db2.gz IYFXGMPYLNFQRD-UHFFFAOYSA-N 1 2 348.450 3.711 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000506056850 1021868326 /nfs/dbraw/zinc/86/83/26/1021868326.db2.gz ZAIGJDXGYYYNPW-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000506056850 1021868337 /nfs/dbraw/zinc/86/83/37/1021868337.db2.gz ZAIGJDXGYYYNPW-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(Br)o1)c1cccc(Cl)c1F ZINC000341441121 1021909959 /nfs/dbraw/zinc/90/99/59/1021909959.db2.gz SFWSHNXFIQZMSC-LLVKDONJSA-N 1 2 348.599 3.658 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1CC(C)C)CCCO2 ZINC000164758022 1021923010 /nfs/dbraw/zinc/92/30/10/1021923010.db2.gz LTLVRMLZKCVGBB-KRWDZBQOSA-N 1 2 329.444 3.551 20 0 EHADLO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccccc1F ZINC000520173482 1021987629 /nfs/dbraw/zinc/98/76/29/1021987629.db2.gz MVLWRUNSLXKGFN-INIZCTEOSA-N 1 2 328.431 3.914 20 0 EHADLO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccccc1F ZINC000520173482 1021987635 /nfs/dbraw/zinc/98/76/35/1021987635.db2.gz MVLWRUNSLXKGFN-INIZCTEOSA-N 1 2 328.431 3.914 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000520173595 1021988205 /nfs/dbraw/zinc/98/82/05/1021988205.db2.gz RDBNPOXBFMRLQI-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000520173595 1021988215 /nfs/dbraw/zinc/98/82/15/1021988215.db2.gz RDBNPOXBFMRLQI-UHFFFAOYSA-N 1 2 336.357 3.953 20 0 EHADLO CC(C)c1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(C(C)C)[nH+]1 ZINC000894900030 1022005260 /nfs/dbraw/zinc/00/52/60/1022005260.db2.gz FJVPHBBCGXCYHJ-UHFFFAOYSA-N 1 2 337.471 3.995 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncnn2C)c(OCCC)c1 ZINC000276616420 1022006242 /nfs/dbraw/zinc/00/62/42/1022006242.db2.gz LZEFUYIIDUAZDE-LSDHHAIUSA-N 1 2 346.475 3.805 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000506791224 1022025917 /nfs/dbraw/zinc/02/59/17/1022025917.db2.gz TYJQCSVIQKNYMO-CQSZACIVSA-N 1 2 345.361 3.545 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000506791224 1022025932 /nfs/dbraw/zinc/02/59/32/1022025932.db2.gz TYJQCSVIQKNYMO-CQSZACIVSA-N 1 2 345.361 3.545 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440270304 1022057627 /nfs/dbraw/zinc/05/76/27/1022057627.db2.gz WIYCFWSFIVZHKM-LZWOXQAQSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccccc4C)OC[C@@H]3C)ccn12 ZINC000519422456 1022080300 /nfs/dbraw/zinc/08/03/00/1022080300.db2.gz WBYNWHUWPPQGHT-LPHOPBHVSA-N 1 2 349.434 3.553 20 0 EHADLO Cc1csc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1Cl ZINC000276667413 1022100178 /nfs/dbraw/zinc/10/01/78/1022100178.db2.gz RAPRAQNLZRCLRC-JTQLQIEISA-N 1 2 327.837 3.542 20 0 EHADLO Cc1csc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1Cl ZINC000276667413 1022100181 /nfs/dbraw/zinc/10/01/81/1022100181.db2.gz RAPRAQNLZRCLRC-JTQLQIEISA-N 1 2 327.837 3.542 20 0 EHADLO Cc1cncc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000430668517 1022111639 /nfs/dbraw/zinc/11/16/39/1022111639.db2.gz XURLDTKMVVMZKP-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1cncc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000430668517 1022111644 /nfs/dbraw/zinc/11/16/44/1022111644.db2.gz XURLDTKMVVMZKP-SFHVURJKSA-N 1 2 327.403 3.522 20 0 EHADLO Cc1sc(Br)c(C(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000441278925 1022125608 /nfs/dbraw/zinc/12/56/08/1022125608.db2.gz SKEXDWIPNPWXIV-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c[nH+]1 ZINC000897634087 1033033064 /nfs/dbraw/zinc/03/30/64/1033033064.db2.gz DCMNUCYMYXDFLT-RBUKOAKNSA-N 1 2 333.435 3.752 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c[nH+]1 ZINC000897634583 1033034539 /nfs/dbraw/zinc/03/45/39/1033034539.db2.gz KIVMULGRLRNGRP-UHFFFAOYSA-N 1 2 349.837 3.724 20 0 EHADLO CC(C)c1nc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccn21 ZINC000517275264 1022190277 /nfs/dbraw/zinc/19/02/77/1022190277.db2.gz RPTBTMSMZABSGM-UHFFFAOYSA-N 1 2 349.482 3.743 20 0 EHADLO COC(=O)CC[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccccc1 ZINC000891642649 1022194043 /nfs/dbraw/zinc/19/40/43/1022194043.db2.gz AUXOTUMQNUXTBZ-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO COC(=O)CC[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccccc1 ZINC000891642649 1022194048 /nfs/dbraw/zinc/19/40/48/1022194048.db2.gz AUXOTUMQNUXTBZ-UHFFFAOYSA-N 1 2 330.428 3.537 20 0 EHADLO CCC[C@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OCC ZINC000441386503 1022204676 /nfs/dbraw/zinc/20/46/76/1022204676.db2.gz ORWHMUOHZGPTQN-RBUKOAKNSA-N 1 2 343.471 3.563 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591043 1022224647 /nfs/dbraw/zinc/22/46/47/1022224647.db2.gz MGWYPUCQKWHDII-CQSZACIVSA-N 1 2 328.378 3.770 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591043 1022224655 /nfs/dbraw/zinc/22/46/55/1022224655.db2.gz MGWYPUCQKWHDII-CQSZACIVSA-N 1 2 328.378 3.770 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)c(Cl)c1 ZINC000437890187 1022248551 /nfs/dbraw/zinc/24/85/51/1022248551.db2.gz MCIRIHILPIBYLK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)c(Cl)c1 ZINC000437890187 1022248556 /nfs/dbraw/zinc/24/85/56/1022248556.db2.gz MCIRIHILPIBYLK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC000075719177 1022276923 /nfs/dbraw/zinc/27/69/23/1022276923.db2.gz HVCFVNXPIXMDEM-BBRMVZONSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC000075719177 1022276934 /nfs/dbraw/zinc/27/69/34/1022276934.db2.gz HVCFVNXPIXMDEM-BBRMVZONSA-N 1 2 340.345 3.538 20 0 EHADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804162 1022285755 /nfs/dbraw/zinc/28/57/55/1022285755.db2.gz KZRRYFUBIFCADF-QPUJVOFHSA-N 1 2 327.268 3.679 20 0 EHADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000471804162 1022285760 /nfs/dbraw/zinc/28/57/60/1022285760.db2.gz KZRRYFUBIFCADF-QPUJVOFHSA-N 1 2 327.268 3.679 20 0 EHADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000073328362 1022286668 /nfs/dbraw/zinc/28/66/68/1022286668.db2.gz ZFTQYRYIKZFWJT-GDBMZVCRSA-N 1 2 331.485 3.523 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000119652503 1022321364 /nfs/dbraw/zinc/32/13/64/1022321364.db2.gz LEVDDTILGBRLLI-VXGBXAGGSA-N 1 2 339.407 3.780 20 0 EHADLO O[C@@H]([C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671166 1033047040 /nfs/dbraw/zinc/04/70/40/1033047040.db2.gz KDCMMYRYQSJMQG-CABZTGNLSA-N 1 2 348.415 3.617 20 0 EHADLO O[C@@H]([C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000449671166 1033047053 /nfs/dbraw/zinc/04/70/53/1033047053.db2.gz KDCMMYRYQSJMQG-CABZTGNLSA-N 1 2 348.415 3.617 20 0 EHADLO CCc1cnccc1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000685317226 1033047875 /nfs/dbraw/zinc/04/78/75/1033047875.db2.gz QEILYAUCQRBGEO-INIZCTEOSA-N 1 2 342.830 3.998 20 0 EHADLO C[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(Cl)s1 ZINC000048555890 1022360269 /nfs/dbraw/zinc/36/02/69/1022360269.db2.gz IRARDEIZCVVVQJ-UHFFFAOYSA-N 1 2 349.308 3.865 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(Cl)s1 ZINC000048555890 1022360281 /nfs/dbraw/zinc/36/02/81/1022360281.db2.gz IRARDEIZCVVVQJ-UHFFFAOYSA-N 1 2 349.308 3.865 20 0 EHADLO COc1cccc(/C(C)=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000176051518 1022373297 /nfs/dbraw/zinc/37/32/97/1022373297.db2.gz GYQLERXVQBDFKT-FOWTUZBSSA-N 1 2 347.418 3.601 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750877 1022396442 /nfs/dbraw/zinc/39/64/42/1022396442.db2.gz HFERNCKKNKDMJO-LBPRGKRZSA-N 1 2 328.384 3.568 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750877 1022396458 /nfs/dbraw/zinc/39/64/58/1022396458.db2.gz HFERNCKKNKDMJO-LBPRGKRZSA-N 1 2 328.384 3.568 20 0 EHADLO C[C@H](c1cccc(NC(=O)NCC2(C)CCCC2)c1)[NH+]1CCOCC1 ZINC000517505618 1022401311 /nfs/dbraw/zinc/40/13/11/1022401311.db2.gz ACADJIMADLNXFU-MRXNPFEDSA-N 1 2 345.487 3.782 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000664826656 1022460466 /nfs/dbraw/zinc/46/04/66/1022460466.db2.gz WAJUVAOGSTVBAW-RBUKOAKNSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000664826656 1022460473 /nfs/dbraw/zinc/46/04/73/1022460473.db2.gz WAJUVAOGSTVBAW-RBUKOAKNSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)CCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000426660675 1022480735 /nfs/dbraw/zinc/48/07/35/1022480735.db2.gz PTGRKTGCXWYOIZ-CQSZACIVSA-N 1 2 336.505 3.829 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 ZINC000780349195 1022510474 /nfs/dbraw/zinc/51/04/74/1022510474.db2.gz AZMMXGMEMQUBAT-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 ZINC000780349195 1022510481 /nfs/dbraw/zinc/51/04/81/1022510481.db2.gz AZMMXGMEMQUBAT-HXUWFJFHSA-N 1 2 334.419 3.971 20 0 EHADLO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1(C)C ZINC000894556645 1022528626 /nfs/dbraw/zinc/52/86/26/1022528626.db2.gz GXZDEIIIPIBQDI-SOUVJXGZSA-N 1 2 339.480 3.629 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)no1 ZINC000894557029 1022531450 /nfs/dbraw/zinc/53/14/50/1022531450.db2.gz RTKPTYDDBPPPCF-MJBXVCDLSA-N 1 2 339.480 3.627 20 0 EHADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000438284003 1022533310 /nfs/dbraw/zinc/53/33/10/1022533310.db2.gz PAGDMSJTUCLMAV-INIZCTEOSA-N 1 2 329.835 3.595 20 0 EHADLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000438284003 1022533324 /nfs/dbraw/zinc/53/33/24/1022533324.db2.gz PAGDMSJTUCLMAV-INIZCTEOSA-N 1 2 329.835 3.595 20 0 EHADLO OCc1ccc(Cl)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438299039 1022540304 /nfs/dbraw/zinc/54/03/04/1022540304.db2.gz NEAMOWXEOVATBF-UHFFFAOYSA-N 1 2 327.815 3.689 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](c2ccccc2)C2CC2)c1C ZINC000051334084 1022545239 /nfs/dbraw/zinc/54/52/39/1022545239.db2.gz OARRRLJIHSTGMY-SFHVURJKSA-N 1 2 339.439 3.658 20 0 EHADLO Cc1cc(N[C@@H]2CCc3ccccc3-n3ccnc32)nc(C2CC2)[nH+]1 ZINC000664689309 1022565435 /nfs/dbraw/zinc/56/54/35/1022565435.db2.gz UOOGURSKSOQKGQ-MRXNPFEDSA-N 1 2 331.423 3.948 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)C/C=C\c2ccncc2)c1 ZINC000425980689 1022567039 /nfs/dbraw/zinc/56/70/39/1022567039.db2.gz OLIJHSDINALAEF-ARJAWSKDSA-N 1 2 347.256 3.998 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)C/C=C\c2ccncc2)c1 ZINC000425980689 1022567051 /nfs/dbraw/zinc/56/70/51/1022567051.db2.gz OLIJHSDINALAEF-ARJAWSKDSA-N 1 2 347.256 3.998 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000607232983 1033066867 /nfs/dbraw/zinc/06/68/67/1033066867.db2.gz TWTQOGKERRFYOT-QGZVFWFLSA-N 1 2 332.492 3.884 20 0 EHADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC000125263634 1022610052 /nfs/dbraw/zinc/61/00/52/1022610052.db2.gz HYNBMFWVWQRMHG-LBPRGKRZSA-N 1 2 333.819 3.527 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004640 1022644588 /nfs/dbraw/zinc/64/45/88/1022644588.db2.gz IYHUIQUEFWQHLY-BYGVAPHOSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C=C(/C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004640 1022644599 /nfs/dbraw/zinc/64/45/99/1022644599.db2.gz IYHUIQUEFWQHLY-BYGVAPHOSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005414 1022666807 /nfs/dbraw/zinc/66/68/07/1022666807.db2.gz IYHUIQUEFWQHLY-VIYXCCSCSA-N 1 2 327.428 3.845 20 0 EHADLO CC/C=C(\C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665005414 1022666819 /nfs/dbraw/zinc/66/68/19/1022666819.db2.gz IYHUIQUEFWQHLY-VIYXCCSCSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000894694122 1022747229 /nfs/dbraw/zinc/74/72/29/1022747229.db2.gz BPOJTKBJBRDFMQ-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000894694122 1022747236 /nfs/dbraw/zinc/74/72/36/1022747236.db2.gz BPOJTKBJBRDFMQ-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nccc(C)n2)ccc1OC1CCCC1 ZINC000341646627 1022787575 /nfs/dbraw/zinc/78/75/75/1022787575.db2.gz VTFQWIHGNRRGAH-HNNXBMFYSA-N 1 2 341.455 3.966 20 0 EHADLO CCOc1cc(F)c(C[NH+]2CCC(c3ncccn3)CC2)c(F)c1 ZINC001143576002 1022790967 /nfs/dbraw/zinc/79/09/67/1022790967.db2.gz SUEKIPATASEJNK-UHFFFAOYSA-N 1 2 333.382 3.533 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000304963055 1022793209 /nfs/dbraw/zinc/79/32/09/1022793209.db2.gz NJYKTXDRSAMICS-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000304963055 1022793214 /nfs/dbraw/zinc/79/32/14/1022793214.db2.gz NJYKTXDRSAMICS-GOSISDBHSA-N 1 2 338.382 3.572 20 0 EHADLO Cc1cccc([C@@H](C)[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000441439293 1022796558 /nfs/dbraw/zinc/79/65/58/1022796558.db2.gz VFCRKQXKHIHHQG-MRXNPFEDSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1cccc([C@@H](C)[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000441439293 1022796567 /nfs/dbraw/zinc/79/65/67/1022796567.db2.gz VFCRKQXKHIHHQG-MRXNPFEDSA-N 1 2 326.415 3.540 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)co1 ZINC000894745473 1022825145 /nfs/dbraw/zinc/82/51/45/1022825145.db2.gz NNYZWIZVVWTEJY-UHFFFAOYSA-N 1 2 345.443 3.552 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2sccc2C)c1 ZINC000008309911 1022854634 /nfs/dbraw/zinc/85/46/34/1022854634.db2.gz HZWFXPXXASFIAJ-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2sccc2C)c1 ZINC000008309911 1022854652 /nfs/dbraw/zinc/85/46/52/1022854652.db2.gz HZWFXPXXASFIAJ-ZDUSSCGKSA-N 1 2 330.453 3.718 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894773535 1022870096 /nfs/dbraw/zinc/87/00/96/1022870096.db2.gz WMFSRPQYPJLFGZ-OLZOCXBDSA-N 1 2 333.455 3.585 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(CC)o2)cc1OC ZINC000341663246 1022915772 /nfs/dbraw/zinc/91/57/72/1022915772.db2.gz WYVOQKWXHYOISE-CHWSQXEVSA-N 1 2 333.432 3.841 20 0 EHADLO O=C(COc1cc[nH+]cc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000518053560 1022951304 /nfs/dbraw/zinc/95/13/04/1022951304.db2.gz NCORYONTTRAAAD-LJQANCHMSA-N 1 2 328.387 3.647 20 0 EHADLO Cc1ccc(CCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)c(C)c1 ZINC000645383396 1022953229 /nfs/dbraw/zinc/95/32/29/1022953229.db2.gz ZIVNOPIFVKOBLH-IBGZPJMESA-N 1 2 338.430 3.872 20 0 EHADLO Cc1cccn2c(CNc3cncc(C(=O)OC(C)(C)C)c3)c[nH+]c12 ZINC000593947061 1033088927 /nfs/dbraw/zinc/08/89/27/1033088927.db2.gz NBRQVKDKDFSTIF-UHFFFAOYSA-N 1 2 338.411 3.605 20 0 EHADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000518095297 1022988795 /nfs/dbraw/zinc/98/87/95/1022988795.db2.gz VXAMYRRQDCLRJA-GXTWGEPZSA-N 1 2 346.793 3.848 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@H]2CCc3ccccc3C2)no1)c1ccccc1 ZINC000685319112 1033102606 /nfs/dbraw/zinc/10/26/06/1033102606.db2.gz KQCAAJABDQBDJM-OALUTQOASA-N 1 2 333.435 3.993 20 0 EHADLO CC[C@@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)Oc1cccc(C)c1 ZINC000294620632 1023069294 /nfs/dbraw/zinc/06/92/94/1023069294.db2.gz FHICBDSHTJGLNA-WMLDXEAASA-N 1 2 342.468 3.711 20 0 EHADLO CC1(c2ccccc2)CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000510768814 1023138100 /nfs/dbraw/zinc/13/81/00/1023138100.db2.gz JLUHMUIHCOUEFW-UHFFFAOYSA-N 1 2 344.405 3.957 20 0 EHADLO Cc1cc(NCc2cccc(C(=O)NC3CC3)c2)nc(C2CCC2)[nH+]1 ZINC000891868834 1023147963 /nfs/dbraw/zinc/14/79/63/1023147963.db2.gz NVRSRPYRRMYISZ-UHFFFAOYSA-N 1 2 336.439 3.557 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000507151699 1023159152 /nfs/dbraw/zinc/15/91/52/1023159152.db2.gz JOHNWKDCVYCCQC-BHIYHBOVSA-N 1 2 341.499 3.725 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000510797012 1023185437 /nfs/dbraw/zinc/18/54/37/1023185437.db2.gz LTHHYEZQEUWMEQ-CABZTGNLSA-N 1 2 335.753 3.899 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000510797012 1023185442 /nfs/dbraw/zinc/18/54/42/1023185442.db2.gz LTHHYEZQEUWMEQ-CABZTGNLSA-N 1 2 335.753 3.899 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)C(F)(F)F)c(C)c1 ZINC000441486751 1023194172 /nfs/dbraw/zinc/19/41/72/1023194172.db2.gz BVLJGHGGFKUGRO-ZFWWWQNUSA-N 1 2 339.361 3.556 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000132729198 1023271266 /nfs/dbraw/zinc/27/12/66/1023271266.db2.gz GYFGPBDQDCIBAM-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000520492356 1023287748 /nfs/dbraw/zinc/28/77/48/1023287748.db2.gz HTXPWJOSBOSNBP-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000520492356 1023287758 /nfs/dbraw/zinc/28/77/58/1023287758.db2.gz HTXPWJOSBOSNBP-INIZCTEOSA-N 1 2 347.459 3.686 20 0 EHADLO CSCc1cnc(C[NH+]2CCC(Cc3nccs3)CC2)s1 ZINC000602734349 1033124220 /nfs/dbraw/zinc/12/42/20/1033124220.db2.gz QRJRBWBVGMRJQI-UHFFFAOYSA-N 1 2 339.555 3.917 20 0 EHADLO Cc1nccc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)n1 ZINC000527751886 1033124140 /nfs/dbraw/zinc/12/41/40/1033124140.db2.gz IVQBIQSIDPTEOO-MRVPVSSYSA-N 1 2 342.187 3.677 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000602757927 1033129070 /nfs/dbraw/zinc/12/90/70/1033129070.db2.gz BSWINAACQSOOAL-JTQLQIEISA-N 1 2 340.395 3.791 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000602757927 1033129075 /nfs/dbraw/zinc/12/90/75/1033129075.db2.gz BSWINAACQSOOAL-JTQLQIEISA-N 1 2 340.395 3.791 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602760083 1033133663 /nfs/dbraw/zinc/13/36/63/1033133663.db2.gz WOXPZQKROHHSCX-GFCCVEGCSA-N 1 2 342.395 3.963 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602760083 1033133670 /nfs/dbraw/zinc/13/36/70/1033133670.db2.gz WOXPZQKROHHSCX-GFCCVEGCSA-N 1 2 342.395 3.963 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001299159762 1023614740 /nfs/dbraw/zinc/61/47/40/1023614740.db2.gz AFKUYIBCBQCFPJ-HNNXBMFYSA-N 1 2 337.398 3.715 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3nc[nH]c3c2)c(C)c1 ZINC000535784295 1023631962 /nfs/dbraw/zinc/63/19/62/1023631962.db2.gz INSIRZORWGLTOM-UHFFFAOYSA-N 1 2 336.439 3.559 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc3nc[nH]c3c2)c(C)c1 ZINC000535784295 1023631965 /nfs/dbraw/zinc/63/19/65/1023631965.db2.gz INSIRZORWGLTOM-UHFFFAOYSA-N 1 2 336.439 3.559 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C3CC(C)(C)C3)cn2c1 ZINC000458206781 1023635010 /nfs/dbraw/zinc/63/50/10/1023635010.db2.gz MMVURCZZOVOBCR-UHFFFAOYSA-N 1 2 331.485 3.523 20 0 EHADLO CC[C@@H](S[C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000341905126 1023677292 /nfs/dbraw/zinc/67/72/92/1023677292.db2.gz VGFBUTPKSPHHTD-WMLDXEAASA-N 1 2 338.492 3.563 20 0 EHADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)c(OCCCC(C)C)c1 ZINC000342009715 1023766621 /nfs/dbraw/zinc/76/66/21/1023766621.db2.gz JCBUPWJABAJZIS-UHFFFAOYSA-N 1 2 343.471 3.713 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277143451 1023828824 /nfs/dbraw/zinc/82/88/24/1023828824.db2.gz CDIARIBWYCTWHY-UHFFFAOYSA-N 1 2 342.201 3.875 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1C1CC1 ZINC000548500970 1023863473 /nfs/dbraw/zinc/86/34/73/1023863473.db2.gz FHQQNTWNXQKIJF-KRWDZBQOSA-N 1 2 336.439 3.668 20 0 EHADLO COCC[N@H+](Cc1ccnn1C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000449753998 1033169154 /nfs/dbraw/zinc/16/91/54/1033169154.db2.gz PQYCJSYIJVEGKC-UHFFFAOYSA-N 1 2 339.842 3.905 20 0 EHADLO COCC[N@@H+](Cc1ccnn1C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000449753998 1033169164 /nfs/dbraw/zinc/16/91/64/1033169164.db2.gz PQYCJSYIJVEGKC-UHFFFAOYSA-N 1 2 339.842 3.905 20 0 EHADLO CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1Cc2ccccc2C1 ZINC000342092022 1023889125 /nfs/dbraw/zinc/88/91/25/1023889125.db2.gz VRHRZDCEGZHWOO-FQEVSTJZSA-N 1 2 345.446 3.558 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434309669 1023952586 /nfs/dbraw/zinc/95/25/86/1023952586.db2.gz ZSIZOIIYYXNBDD-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434309669 1023952592 /nfs/dbraw/zinc/95/25/92/1023952592.db2.gz ZSIZOIIYYXNBDD-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761044550 1033175898 /nfs/dbraw/zinc/17/58/98/1033175898.db2.gz AEFHYDLDBLKVGW-ZDUSSCGKSA-N 1 2 328.378 3.941 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761044550 1033175908 /nfs/dbraw/zinc/17/59/08/1033175908.db2.gz AEFHYDLDBLKVGW-ZDUSSCGKSA-N 1 2 328.378 3.941 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCC3(CC3)C2)c1C ZINC000897786230 1033177151 /nfs/dbraw/zinc/17/71/51/1033177151.db2.gz KSZRASSNZQIOBK-HNNXBMFYSA-N 1 2 331.460 3.571 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)no1 ZINC000329652024 1023986519 /nfs/dbraw/zinc/98/65/19/1023986519.db2.gz KYUQGMHVCLYUES-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)no1 ZINC000329652024 1023986533 /nfs/dbraw/zinc/98/65/33/1023986533.db2.gz KYUQGMHVCLYUES-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000665106186 1024054035 /nfs/dbraw/zinc/05/40/35/1024054035.db2.gz KHQZMFFCZUMYBR-UHFFFAOYSA-N 1 2 325.456 3.680 20 0 EHADLO CCCC[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000507774788 1024065317 /nfs/dbraw/zinc/06/53/17/1024065317.db2.gz MENVQCZZLJXWBU-OAHLLOKOSA-N 1 2 329.444 3.863 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000434474924 1024067544 /nfs/dbraw/zinc/06/75/44/1024067544.db2.gz TXOTUYIXPNBEEG-FVQBIDKESA-N 1 2 344.282 3.804 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000434474924 1024067558 /nfs/dbraw/zinc/06/75/58/1024067558.db2.gz TXOTUYIXPNBEEG-FVQBIDKESA-N 1 2 344.282 3.804 20 0 EHADLO CCOc1cc(C)ccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000151165713 1024068225 /nfs/dbraw/zinc/06/82/25/1024068225.db2.gz PPDXUQHDKLUOSE-UHFFFAOYSA-N 1 2 335.407 3.509 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)CCOCC1CC1 ZINC000514077042 1024096434 /nfs/dbraw/zinc/09/64/34/1024096434.db2.gz KGKFZHSQKXYNJC-GFCCVEGCSA-N 1 2 335.448 3.764 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)CCOCC1CC1 ZINC000514077042 1024096455 /nfs/dbraw/zinc/09/64/55/1024096455.db2.gz KGKFZHSQKXYNJC-GFCCVEGCSA-N 1 2 335.448 3.764 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000514125484 1024152996 /nfs/dbraw/zinc/15/29/96/1024152996.db2.gz VSHGGXCUWSYIJQ-MRXNPFEDSA-N 1 2 326.440 3.853 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000514125484 1024153005 /nfs/dbraw/zinc/15/30/05/1024153005.db2.gz VSHGGXCUWSYIJQ-MRXNPFEDSA-N 1 2 326.440 3.853 20 0 EHADLO Cn1c2ccc(CNc3ccc4c(c3)CCC[NH2+]4)cc2sc1=O ZINC000414847275 1024161403 /nfs/dbraw/zinc/16/14/03/1024161403.db2.gz IMXYJFOJTOHZAM-UHFFFAOYSA-N 1 2 325.437 3.570 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000602790963 1033190435 /nfs/dbraw/zinc/19/04/35/1033190435.db2.gz AJGITEXYHNKCFX-MEDUHNTESA-N 1 2 332.375 3.792 20 0 EHADLO CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000459114876 1024191603 /nfs/dbraw/zinc/19/16/03/1024191603.db2.gz IRPYRCIMIIJIEG-MRXNPFEDSA-N 1 2 341.455 4.000 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151629574 1024255669 /nfs/dbraw/zinc/25/56/69/1024255669.db2.gz DQKSQHZVDQOKTJ-INIZCTEOSA-N 1 2 347.418 3.663 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000324158706 1024258203 /nfs/dbraw/zinc/25/82/03/1024258203.db2.gz ASXSXBYNYBKMHJ-CABCVRRESA-N 1 2 328.460 3.733 20 0 EHADLO CC1(C)Cc2cc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)ccc2O1 ZINC000329964055 1024267791 /nfs/dbraw/zinc/26/77/91/1024267791.db2.gz SXKQKVMTLYZIHX-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CC1(C)Cc2cc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)ccc2O1 ZINC000329964055 1024267808 /nfs/dbraw/zinc/26/78/08/1024267808.db2.gz SXKQKVMTLYZIHX-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000505466419 1024281861 /nfs/dbraw/zinc/28/18/61/1024281861.db2.gz AGYDMAZFDMMFNT-FUHWJXTLSA-N 1 2 332.488 3.775 20 0 EHADLO CCC[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684651974 1024282889 /nfs/dbraw/zinc/28/28/89/1024282889.db2.gz GEEILZMVDWDGJB-OAHLLOKOSA-N 1 2 348.878 3.937 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003682 1024282760 /nfs/dbraw/zinc/28/27/60/1024282760.db2.gz ZXDSJXGMEKVUOJ-MSOLQXFVSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000330003682 1024282773 /nfs/dbraw/zinc/28/27/73/1024282773.db2.gz ZXDSJXGMEKVUOJ-MSOLQXFVSA-N 1 2 340.471 3.550 20 0 EHADLO C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccc(F)cc1 ZINC000443637326 1024295278 /nfs/dbraw/zinc/29/52/78/1024295278.db2.gz IOVPGLDWMVPNNV-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccc(F)cc1 ZINC000443637326 1024295291 /nfs/dbraw/zinc/29/52/91/1024295291.db2.gz IOVPGLDWMVPNNV-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H]1c1ccc[nH]1 ZINC000425145336 1024323468 /nfs/dbraw/zinc/32/34/68/1024323468.db2.gz OBMRTGSMALXUPC-AEFFLSMTSA-N 1 2 334.423 3.624 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCc3cccc(F)c3C2)cn1 ZINC000430077288 1024336654 /nfs/dbraw/zinc/33/66/54/1024336654.db2.gz OJTDPTONZCNPGQ-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCc3cccc(F)c3C2)cn1 ZINC000430077288 1024336663 /nfs/dbraw/zinc/33/66/63/1024336663.db2.gz OJTDPTONZCNPGQ-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000101596985 1024342548 /nfs/dbraw/zinc/34/25/48/1024342548.db2.gz DSEFCTXAGIOHPL-LJQANCHMSA-N 1 2 339.439 3.969 20 0 EHADLO COc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)c(OC)c1 ZINC000101597072 1024346313 /nfs/dbraw/zinc/34/63/13/1024346313.db2.gz UIQTYRYVKOLMSW-KRWDZBQOSA-N 1 2 333.428 3.800 20 0 EHADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)CS1 ZINC000277254434 1024347449 /nfs/dbraw/zinc/34/74/49/1024347449.db2.gz OGXVHKNFSPBXKJ-COXVUDFISA-N 1 2 333.476 3.768 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)cs1)C1CC1 ZINC000430096603 1024361623 /nfs/dbraw/zinc/36/16/23/1024361623.db2.gz GSXPGDLQYLZAMG-MRXNPFEDSA-N 1 2 333.501 3.669 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)cs1)C1CC1 ZINC000430096603 1024361639 /nfs/dbraw/zinc/36/16/39/1024361639.db2.gz GSXPGDLQYLZAMG-MRXNPFEDSA-N 1 2 333.501 3.669 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)C/C(C)=C/c2ccccc2)s1 ZINC000602819644 1033205982 /nfs/dbraw/zinc/20/59/82/1033205982.db2.gz HZKXLSRLIWEOPK-GXDHUFHOSA-N 1 2 330.453 3.855 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)C/C(C)=C/c2ccccc2)s1 ZINC000602819644 1033205996 /nfs/dbraw/zinc/20/59/96/1033205996.db2.gz HZKXLSRLIWEOPK-GXDHUFHOSA-N 1 2 330.453 3.855 20 0 EHADLO O=C(CC/C=C/c1ccccc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505498978 1024380403 /nfs/dbraw/zinc/38/04/03/1024380403.db2.gz PNHFLNXQOTUHNI-CWFIWJMMSA-N 1 2 338.426 3.792 20 0 EHADLO Cc1cccc(C)c1OCC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000514340439 1024398450 /nfs/dbraw/zinc/39/84/50/1024398450.db2.gz KOHIMEDFRYXNER-UHFFFAOYSA-N 1 2 338.495 3.543 20 0 EHADLO COc1ccccc1[C@H]1CN(C(=O)CC2(C)CCCCC2)CC[NH2+]1 ZINC000505508851 1024404361 /nfs/dbraw/zinc/40/43/61/1024404361.db2.gz XTCYGSZYGJMFLR-QGZVFWFLSA-N 1 2 330.472 3.529 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H](n3ccnn3)CC2)nc(C(C)C)[nH+]1 ZINC000895104039 1024416513 /nfs/dbraw/zinc/41/65/13/1024416513.db2.gz FMQYZQNBPMIFTQ-OAHLLOKOSA-N 1 2 328.464 3.547 20 0 EHADLO COc1cc(OC)c(CNc2ccc3c(c2)CCC[NH2+]3)c(OC)c1 ZINC000414855733 1024443782 /nfs/dbraw/zinc/44/37/82/1024443782.db2.gz XIIJADOCVGGHHO-UHFFFAOYSA-N 1 2 328.412 3.683 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000505543861 1024455421 /nfs/dbraw/zinc/45/54/21/1024455421.db2.gz WIGVZNUEPSDUBM-LIRRHRJNSA-N 1 2 344.405 3.632 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000053113319 1024459648 /nfs/dbraw/zinc/45/96/48/1024459648.db2.gz PWFBOILHLNZSMD-UHFFFAOYSA-N 1 2 343.374 3.541 20 0 EHADLO Cc1csc(NC(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000053113319 1024459655 /nfs/dbraw/zinc/45/96/55/1024459655.db2.gz PWFBOILHLNZSMD-UHFFFAOYSA-N 1 2 343.374 3.541 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+](Cc1ccccc1)C(C)C)c2=O ZINC000173290330 1033213264 /nfs/dbraw/zinc/21/32/64/1033213264.db2.gz KSGUGJWWLPLXFO-UHFFFAOYSA-N 1 2 341.480 3.943 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+](Cc1ccccc1)C(C)C)c2=O ZINC000173290330 1033213270 /nfs/dbraw/zinc/21/32/70/1033213270.db2.gz KSGUGJWWLPLXFO-UHFFFAOYSA-N 1 2 341.480 3.943 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555649 1024473754 /nfs/dbraw/zinc/47/37/54/1024473754.db2.gz PSCXBNRRPLJRFL-UKRRQHHQSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555649 1024473758 /nfs/dbraw/zinc/47/37/58/1024473758.db2.gz PSCXBNRRPLJRFL-UKRRQHHQSA-N 1 2 344.484 3.719 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)s1 ZINC000895403896 1024489625 /nfs/dbraw/zinc/48/96/25/1024489625.db2.gz CLWAFDYYXJYFTI-ZDUSSCGKSA-N 1 2 336.844 3.750 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC000434905835 1024497755 /nfs/dbraw/zinc/49/77/55/1024497755.db2.gz TWAMLPCFYDTTHQ-SFHVURJKSA-N 1 2 331.485 3.782 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC000434905835 1024497762 /nfs/dbraw/zinc/49/77/62/1024497762.db2.gz TWAMLPCFYDTTHQ-SFHVURJKSA-N 1 2 331.485 3.782 20 0 EHADLO Cn1cccc1C(=O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434909987 1024500482 /nfs/dbraw/zinc/50/04/82/1024500482.db2.gz RMSXQHLEKKCWSW-UHFFFAOYSA-N 1 2 332.394 3.931 20 0 EHADLO Cn1cccc1C(=O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434909987 1024500486 /nfs/dbraw/zinc/50/04/86/1024500486.db2.gz RMSXQHLEKKCWSW-UHFFFAOYSA-N 1 2 332.394 3.931 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000895438883 1024503887 /nfs/dbraw/zinc/50/38/87/1024503887.db2.gz PXGNOFXIJAMTBO-UHFFFAOYSA-N 1 2 347.462 3.875 20 0 EHADLO Cc1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cnc1F ZINC000895449889 1024514656 /nfs/dbraw/zinc/51/46/56/1024514656.db2.gz VGMHYDAUWIFHMY-ZDUSSCGKSA-N 1 2 329.202 3.659 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@@H+]1CC[C@@H]1c1ccccc1)OCO2 ZINC000434982065 1024527330 /nfs/dbraw/zinc/52/73/30/1024527330.db2.gz NAJRHEGZMIMKCY-CQSZACIVSA-N 1 2 333.334 3.964 20 0 EHADLO FC(F)Oc1cc2c(cc1C[N@H+]1CC[C@@H]1c1ccccc1)OCO2 ZINC000434982065 1024527335 /nfs/dbraw/zinc/52/73/35/1024527335.db2.gz NAJRHEGZMIMKCY-CQSZACIVSA-N 1 2 333.334 3.964 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)NC1CCCCC1 ZINC000107386524 1024550340 /nfs/dbraw/zinc/55/03/40/1024550340.db2.gz RGNSCTHAKFFDHS-UHFFFAOYSA-N 1 2 330.476 3.594 20 0 EHADLO C[NH+](C)Cc1csc(CNc2cc(Cl)nc(C3CCC3)n2)n1 ZINC000895479753 1024552172 /nfs/dbraw/zinc/55/21/72/1024552172.db2.gz VCEGHZPEUCDEEO-UHFFFAOYSA-N 1 2 337.880 3.528 20 0 EHADLO CN(C)c1cc[nH+]c(CNc2nn3cc(C4CCCC4)nc3s2)c1 ZINC000895471415 1024553656 /nfs/dbraw/zinc/55/36/56/1024553656.db2.gz PEYFPVPXQAWFNF-UHFFFAOYSA-N 1 2 342.472 3.522 20 0 EHADLO CCCC1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000137285692 1024557685 /nfs/dbraw/zinc/55/76/85/1024557685.db2.gz QDBBLZSEOZHMIH-ADKAHSJRSA-N 1 2 346.519 3.743 20 0 EHADLO C[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000346254560 1024575119 /nfs/dbraw/zinc/57/51/19/1024575119.db2.gz VXZVKPBJYASMMW-PPWQZUPISA-N 1 2 343.393 3.661 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000281036694 1024582755 /nfs/dbraw/zinc/58/27/55/1024582755.db2.gz GNIQXLOTIZEYKN-SFHVURJKSA-N 1 2 341.503 3.870 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000281036694 1024582765 /nfs/dbraw/zinc/58/27/65/1024582765.db2.gz GNIQXLOTIZEYKN-SFHVURJKSA-N 1 2 341.503 3.870 20 0 EHADLO CC(=O)c1cc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccn1 ZINC001211884137 1024589349 /nfs/dbraw/zinc/58/93/49/1024589349.db2.gz DWLJTXKXHOUUNE-IAGOWNOFSA-N 1 2 348.406 3.890 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC2(c3ccccc3)CCCC2)c[nH+]1 ZINC000895535569 1024593914 /nfs/dbraw/zinc/59/39/14/1024593914.db2.gz ABPVFKHGFXIXQJ-UHFFFAOYSA-N 1 2 325.456 3.555 20 0 EHADLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000057476680 1024603574 /nfs/dbraw/zinc/60/35/74/1024603574.db2.gz KTUBXRBJEVBHHE-UHFFFAOYSA-N 1 2 326.440 3.535 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(OC2CCCC2)c1 ZINC000346289585 1024607935 /nfs/dbraw/zinc/60/79/35/1024607935.db2.gz QKXZQSMFUQRBST-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO COc1cc(CCC(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1Cl ZINC000435085882 1024611959 /nfs/dbraw/zinc/61/19/59/1024611959.db2.gz JWLCZBOLJQTFRF-UHFFFAOYSA-N 1 2 343.814 3.876 20 0 EHADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614668125 1024627708 /nfs/dbraw/zinc/62/77/08/1024627708.db2.gz BPKAPCUWTTXCSS-DOTOQJQBSA-N 1 2 349.544 3.680 20 0 EHADLO CCC[C@H]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671069 1024647831 /nfs/dbraw/zinc/64/78/31/1024647831.db2.gz ZONXJUWILMWMOH-WMZOPIPTSA-N 1 2 349.544 3.824 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccccc2)cc1 ZINC000657292795 1024650678 /nfs/dbraw/zinc/65/06/78/1024650678.db2.gz TXTIVUMPQNVYRF-OAQYLSRUSA-N 1 2 348.450 3.891 20 0 EHADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)o1 ZINC000430137222 1024666482 /nfs/dbraw/zinc/66/64/82/1024666482.db2.gz YCJMCOVWLGNWAZ-UHFFFAOYSA-N 1 2 336.819 3.665 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614674840 1024687135 /nfs/dbraw/zinc/68/71/35/1024687135.db2.gz WSHLGKWQOUELQQ-OAHLLOKOSA-N 1 2 337.533 3.680 20 0 EHADLO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346409193 1024698042 /nfs/dbraw/zinc/69/80/42/1024698042.db2.gz HDQMBBRYJYDQNY-MJGOQNOKSA-N 1 2 349.409 3.875 20 0 EHADLO Fc1c[nH+]ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000895691086 1024725257 /nfs/dbraw/zinc/72/52/57/1024725257.db2.gz BSNUREABHRPGDN-UHFFFAOYSA-N 1 2 341.308 3.682 20 0 EHADLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cc(C)cc(C)c1 ZINC000505639933 1024727456 /nfs/dbraw/zinc/72/74/56/1024727456.db2.gz ROVMETOBLBIIFT-IEBWSBKVSA-N 1 2 337.467 3.824 20 0 EHADLO CC1(C)CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000602881117 1033231537 /nfs/dbraw/zinc/23/15/37/1033231537.db2.gz INYDQROFELPIOQ-UHFFFAOYSA-N 1 2 339.361 3.976 20 0 EHADLO CC1(C)CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000602881117 1033231556 /nfs/dbraw/zinc/23/15/56/1033231556.db2.gz INYDQROFELPIOQ-UHFFFAOYSA-N 1 2 339.361 3.976 20 0 EHADLO CC(C)C[C@@H](C)CS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427697300 1024741424 /nfs/dbraw/zinc/74/14/24/1024741424.db2.gz UFGASVOYNXLZRB-SJORKVTESA-N 1 2 349.544 3.534 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C2CC2)cn1 ZINC000639358470 1024755808 /nfs/dbraw/zinc/75/58/08/1024755808.db2.gz YEYYJJZJAKNOBI-ZWKOTPCHSA-N 1 2 341.459 3.571 20 0 EHADLO CC(C)n1c[nH+]cc1CN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000425328484 1024774681 /nfs/dbraw/zinc/77/46/81/1024774681.db2.gz RMONOKTZVQEEJL-LJQANCHMSA-N 1 2 341.434 3.558 20 0 EHADLO CC(C)Cn1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000594168759 1033234374 /nfs/dbraw/zinc/23/43/74/1033234374.db2.gz CAEIXTNUVKOBPU-UHFFFAOYSA-N 1 2 349.434 3.596 20 0 EHADLO CC(C)n1cncc1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000425341954 1024806780 /nfs/dbraw/zinc/80/67/80/1024806780.db2.gz XZKAALHYVJDOJN-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO CC[C@@H](CN[C@@H](C)c1nc(C)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000623857207 1024834070 /nfs/dbraw/zinc/83/40/70/1024834070.db2.gz KRAXBTKGLWBYNX-YJBOKZPZSA-N 1 2 329.513 3.939 20 0 EHADLO CC[C@@H](CN[C@@H](C)c1nc(C)cs1)[N@H+]1CCc2ccccc2C1 ZINC000623857207 1024834088 /nfs/dbraw/zinc/83/40/88/1024834088.db2.gz KRAXBTKGLWBYNX-YJBOKZPZSA-N 1 2 329.513 3.939 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000895779997 1024840853 /nfs/dbraw/zinc/84/08/53/1024840853.db2.gz YQFDMGCGGCCHKZ-UHFFFAOYSA-N 1 2 339.361 3.604 20 0 EHADLO CCOC[C@@H]1CCC[C@@H]1Nc1ccccc1OCCn1cc[nH+]c1 ZINC000474377920 1024854282 /nfs/dbraw/zinc/85/42/82/1024854282.db2.gz SFMMPQZWMSPVSB-IRXDYDNUSA-N 1 2 329.444 3.579 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCc1ccccc1 ZINC000508027423 1024854304 /nfs/dbraw/zinc/85/43/04/1024854304.db2.gz QHJWOCIREWWLLV-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCc1ccccc1 ZINC000508027423 1024854319 /nfs/dbraw/zinc/85/43/19/1024854319.db2.gz QHJWOCIREWWLLV-IAGOWNOFSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCc1ccccc1 ZINC000508027425 1024854602 /nfs/dbraw/zinc/85/46/02/1024854602.db2.gz QHJWOCIREWWLLV-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1OCc1ccccc1 ZINC000508027425 1024854618 /nfs/dbraw/zinc/85/46/18/1024854618.db2.gz QHJWOCIREWWLLV-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3nc4ccccc4s3)ccc2[nH+]1 ZINC000346546002 1024881990 /nfs/dbraw/zinc/88/19/90/1024881990.db2.gz LZHDVLXYPALXPI-UHFFFAOYSA-N 1 2 337.408 3.574 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368402 1024883378 /nfs/dbraw/zinc/88/33/78/1024883378.db2.gz WPYSXDOKKDKPPX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368402 1024883393 /nfs/dbraw/zinc/88/33/93/1024883393.db2.gz WPYSXDOKKDKPPX-QZTJIDSGSA-N 1 2 335.806 3.796 20 0 EHADLO Cc1cn2cc(NC(=O)NCCCSc3ccccc3)ccc2[nH+]1 ZINC000346547576 1024883961 /nfs/dbraw/zinc/88/39/61/1024883961.db2.gz NVLIRTNMKWCPKQ-UHFFFAOYSA-N 1 2 340.452 3.947 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnc(C(C)(C)C)nc1)c1cccc(Cl)c1 ZINC000346548651 1024885410 /nfs/dbraw/zinc/88/54/10/1024885410.db2.gz QBYNDIHHQGFAIH-HNNXBMFYSA-N 1 2 346.862 3.669 20 0 EHADLO OCC[C@@H]([NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)c1ccco1 ZINC000346553445 1024891462 /nfs/dbraw/zinc/89/14/62/1024891462.db2.gz AGKAIRLQRKCUTO-MJGOQNOKSA-N 1 2 326.371 3.616 20 0 EHADLO COc1ccccc1/C(C)=C\C(=O)NCCCCNc1cccc[nH+]1 ZINC000255471060 1024900505 /nfs/dbraw/zinc/90/05/05/1024900505.db2.gz XVHJREFLWXSPAY-NXVVXOECSA-N 1 2 339.439 3.502 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC3CC(C)(C)C3)CC2)cc1 ZINC000427983330 1024909055 /nfs/dbraw/zinc/90/90/55/1024909055.db2.gz SWXCTNBIYXNSKQ-UHFFFAOYSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)s1 ZINC000330331655 1024924064 /nfs/dbraw/zinc/92/40/64/1024924064.db2.gz OGRUMKJKMBAXSN-UHFFFAOYSA-N 1 2 332.473 3.872 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(CC1CC1)C1CCC1 ZINC000474024289 1024940413 /nfs/dbraw/zinc/94/04/13/1024940413.db2.gz UPFKGMLKCXNNDF-UHFFFAOYSA-N 1 2 342.487 3.546 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000607643868 1033247514 /nfs/dbraw/zinc/24/75/14/1033247514.db2.gz JUJAHHSCQBJMIV-JENIJYKNSA-N 1 2 344.499 3.727 20 0 EHADLO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)occ1O ZINC000346637887 1024979482 /nfs/dbraw/zinc/97/94/82/1024979482.db2.gz DQODXHXGIWERGY-UHFFFAOYSA-N 1 2 339.366 3.687 20 0 EHADLO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)occ1O ZINC000346637887 1024979494 /nfs/dbraw/zinc/97/94/94/1024979494.db2.gz DQODXHXGIWERGY-UHFFFAOYSA-N 1 2 339.366 3.687 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000761051170 1033252951 /nfs/dbraw/zinc/25/29/51/1033252951.db2.gz UWPXBKBMHRUMSJ-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000761051170 1033252964 /nfs/dbraw/zinc/25/29/64/1033252964.db2.gz UWPXBKBMHRUMSJ-SNVBAGLBSA-N 1 2 331.725 3.774 20 0 EHADLO CO[C@H](C)c1nc(C[NH+]2CCC(c3ncc(C)s3)CC2)cs1 ZINC000277410385 1025009957 /nfs/dbraw/zinc/00/99/57/1025009957.db2.gz JMRRPSLGLILGPT-GFCCVEGCSA-N 1 2 337.514 3.995 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000508298140 1025018515 /nfs/dbraw/zinc/01/85/15/1025018515.db2.gz HXEWNPBBKMNKOB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000508298140 1025018532 /nfs/dbraw/zinc/01/85/32/1025018532.db2.gz HXEWNPBBKMNKOB-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3nnc(C(C)C)s3)C2)cc1C ZINC000895977759 1025036222 /nfs/dbraw/zinc/03/62/22/1025036222.db2.gz PDZHVDPEANRJAS-OAHLLOKOSA-N 1 2 344.484 3.561 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3cc(F)c(F)cc3F)[C@H]2C(C)C)C1 ZINC000895988975 1025047065 /nfs/dbraw/zinc/04/70/65/1025047065.db2.gz HLVOSQOCPMSIRC-INIZCTEOSA-N 1 2 343.389 3.713 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3cc(F)c(F)cc3F)[C@H]2C(C)C)C1 ZINC000895988975 1025047082 /nfs/dbraw/zinc/04/70/82/1025047082.db2.gz HLVOSQOCPMSIRC-INIZCTEOSA-N 1 2 343.389 3.713 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000346735871 1025068524 /nfs/dbraw/zinc/06/85/24/1025068524.db2.gz TUSIBSXWSIVOBB-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO Cc1ccc(C(C)(C)NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000515177587 1025073600 /nfs/dbraw/zinc/07/36/00/1025073600.db2.gz KHCSVVAZIAGCLY-GOSISDBHSA-N 1 2 348.450 3.687 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000281468499 1025078278 /nfs/dbraw/zinc/07/82/78/1025078278.db2.gz FDQNVGMTNCAOOA-LJQANCHMSA-N 1 2 337.471 3.996 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000281468499 1025078291 /nfs/dbraw/zinc/07/82/91/1025078291.db2.gz FDQNVGMTNCAOOA-LJQANCHMSA-N 1 2 337.471 3.996 20 0 EHADLO CC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC000892159382 1025105678 /nfs/dbraw/zinc/10/56/78/1025105678.db2.gz KAYRUGVHGZBBNG-UHFFFAOYSA-N 1 2 337.345 3.946 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281530561 1025133502 /nfs/dbraw/zinc/13/35/02/1025133502.db2.gz LMPIFQZVDDNMBQ-VNQPRFMTSA-N 1 2 344.846 3.508 20 0 EHADLO Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc[nH+]1 ZINC000346817759 1025146187 /nfs/dbraw/zinc/14/61/87/1025146187.db2.gz OBOSJYVGMSVHFP-UHFFFAOYSA-N 1 2 347.205 3.557 20 0 EHADLO C[C@H]1C[NH+](C(C)(C)CNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515341004 1025179343 /nfs/dbraw/zinc/17/93/43/1025179343.db2.gz NDVBWLMSIRLARV-QWRGUYRKSA-N 1 2 332.275 3.688 20 0 EHADLO COc1ccc(CC[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000342398054 1025197879 /nfs/dbraw/zinc/19/78/79/1025197879.db2.gz OHKCVFDNOVSGCV-MRXNPFEDSA-N 1 2 349.434 3.632 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1cc(Cl)cc(F)c1F ZINC000442193417 1025206008 /nfs/dbraw/zinc/20/60/08/1025206008.db2.gz IBAKRWDVXUIODM-UHFFFAOYSA-N 1 2 340.761 3.637 20 0 EHADLO CC1(C)C[N@H+](Cc2nccn2Cc2ccccc2)CC2(CCCC2)O1 ZINC000190972755 1025208344 /nfs/dbraw/zinc/20/83/44/1025208344.db2.gz OJHHFQJTKQEEEQ-UHFFFAOYSA-N 1 2 339.483 3.855 20 0 EHADLO CC1(C)C[N@@H+](Cc2nccn2Cc2ccccc2)CC2(CCCC2)O1 ZINC000190972755 1025208352 /nfs/dbraw/zinc/20/83/52/1025208352.db2.gz OJHHFQJTKQEEEQ-UHFFFAOYSA-N 1 2 339.483 3.855 20 0 EHADLO CCC(C)(C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442235914 1025230388 /nfs/dbraw/zinc/23/03/88/1025230388.db2.gz LEKAZMGYFBWPDS-QGZVFWFLSA-N 1 2 328.460 3.729 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCn3c(cnc3C(F)(F)F)C2)c1 ZINC000896205964 1025237898 /nfs/dbraw/zinc/23/78/98/1025237898.db2.gz MIPZPSHUVSBYNK-UHFFFAOYSA-N 1 2 336.292 3.609 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000435960694 1025241682 /nfs/dbraw/zinc/24/16/82/1025241682.db2.gz FQMMJKGFIUESOB-IOMROCGXSA-N 1 2 343.430 3.639 20 0 EHADLO Fc1ccc(-n2cc(C[NH2+][C@@H]3COc4cccc(Cl)c43)cn2)cc1 ZINC000342410198 1025255117 /nfs/dbraw/zinc/25/51/17/1025255117.db2.gz FCZJDMDWAPPOSY-MRXNPFEDSA-N 1 2 343.789 3.888 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)n1 ZINC000934287708 1025259600 /nfs/dbraw/zinc/25/96/00/1025259600.db2.gz QKVMPGHEXQWJBK-INIZCTEOSA-N 1 2 347.484 3.900 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(SC)c2)c1C ZINC000449814097 1033273116 /nfs/dbraw/zinc/27/31/16/1033273116.db2.gz JOROEZKUBCYQEW-UHFFFAOYSA-N 1 2 330.453 3.701 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)c1cnn(C)c1 ZINC000925132308 1025311884 /nfs/dbraw/zinc/31/18/84/1025311884.db2.gz XABQNNGLVCWAOE-RKDXNWHRSA-N 1 2 332.757 3.899 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346927739 1025320852 /nfs/dbraw/zinc/32/08/52/1025320852.db2.gz VOHMXTNSHSKFEX-QAPCUYQASA-N 1 2 325.456 3.876 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)n1 ZINC000896309868 1025333823 /nfs/dbraw/zinc/33/38/23/1025333823.db2.gz YALREAOUCHNXII-UHFFFAOYSA-N 1 2 329.391 3.571 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474693819 1025351273 /nfs/dbraw/zinc/35/12/73/1025351273.db2.gz DOTHQLXOLZROKI-RBUKOAKNSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000521383884 1025364068 /nfs/dbraw/zinc/36/40/68/1025364068.db2.gz CAHPABBAKFFKHA-INIZCTEOSA-N 1 2 328.431 3.786 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000521383884 1025364079 /nfs/dbraw/zinc/36/40/79/1025364079.db2.gz CAHPABBAKFFKHA-INIZCTEOSA-N 1 2 328.431 3.786 20 0 EHADLO CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000548686942 1025376360 /nfs/dbraw/zinc/37/63/60/1025376360.db2.gz UBYWFZNOMBUGFP-IRXDYDNUSA-N 1 2 334.508 3.958 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCC[C@H](C)C3)cn2c1 ZINC000505758619 1025383265 /nfs/dbraw/zinc/38/32/65/1025383265.db2.gz OZYMODXTQIYBRP-WMLDXEAASA-N 1 2 345.512 3.913 20 0 EHADLO Fc1ccc2oc(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000515576792 1025385113 /nfs/dbraw/zinc/38/51/13/1025385113.db2.gz IDNFBKVNKPJUKJ-ZDUSSCGKSA-N 1 2 345.349 3.544 20 0 EHADLO Fc1ccc2oc(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000515576792 1025385121 /nfs/dbraw/zinc/38/51/21/1025385121.db2.gz IDNFBKVNKPJUKJ-ZDUSSCGKSA-N 1 2 345.349 3.544 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccoc2)CC[C@H]1C(F)(F)F ZINC000896369384 1025385498 /nfs/dbraw/zinc/38/54/98/1025385498.db2.gz LEOMMRFLKNANOZ-CHWSQXEVSA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1C(F)(F)F ZINC000896369384 1025385501 /nfs/dbraw/zinc/38/55/01/1025385501.db2.gz LEOMMRFLKNANOZ-CHWSQXEVSA-N 1 2 348.365 3.557 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000521458922 1025394982 /nfs/dbraw/zinc/39/49/82/1025394982.db2.gz NWQIEPXBRUPTSA-ZDUSSCGKSA-N 1 2 333.863 3.627 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000521458922 1025394997 /nfs/dbraw/zinc/39/49/97/1025394997.db2.gz NWQIEPXBRUPTSA-ZDUSSCGKSA-N 1 2 333.863 3.627 20 0 EHADLO CC(C)CC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660429 1025403646 /nfs/dbraw/zinc/40/36/46/1025403646.db2.gz ZIYRINMPOXAWRD-DLBZAZTESA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)CC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000442660429 1025403651 /nfs/dbraw/zinc/40/36/51/1025403651.db2.gz ZIYRINMPOXAWRD-DLBZAZTESA-N 1 2 336.426 3.653 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(Cl)c1 ZINC000505763725 1025409798 /nfs/dbraw/zinc/40/97/98/1025409798.db2.gz XYBTVVLNUZTZJE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(Cl)c1 ZINC000505763725 1025409805 /nfs/dbraw/zinc/40/98/05/1025409805.db2.gz XYBTVVLNUZTZJE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000436188054 1025439190 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CC(C)CC1(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCC1 ZINC000530299949 1025613210 /nfs/dbraw/zinc/61/32/10/1025613210.db2.gz UUOPGUYXZHMMMO-HNNXBMFYSA-N 1 2 331.504 3.971 20 0 EHADLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(C)s1 ZINC000179283893 1025660493 /nfs/dbraw/zinc/66/04/93/1025660493.db2.gz MWAXRPORVFGRST-UHFFFAOYSA-N 1 2 332.816 3.851 20 0 EHADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193697 1025665558 /nfs/dbraw/zinc/66/55/58/1025665558.db2.gz UZSUOFPYDNWTRS-SWLSCSKDSA-N 1 2 345.245 3.701 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000451193697 1025665565 /nfs/dbraw/zinc/66/55/65/1025665565.db2.gz UZSUOFPYDNWTRS-SWLSCSKDSA-N 1 2 345.245 3.701 20 0 EHADLO COc1cc2c(c(C[N@H+](C)Cc3cnc(C(C)C)nc3)c1)O[C@H](C)C2 ZINC000443064260 1025680932 /nfs/dbraw/zinc/68/09/32/1025680932.db2.gz FYZYGKOKHHWCHO-CQSZACIVSA-N 1 2 341.455 3.564 20 0 EHADLO COc1cc2c(c(C[N@@H+](C)Cc3cnc(C(C)C)nc3)c1)O[C@H](C)C2 ZINC000443064260 1025680938 /nfs/dbraw/zinc/68/09/38/1025680938.db2.gz FYZYGKOKHHWCHO-CQSZACIVSA-N 1 2 341.455 3.564 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247361804 1025693535 /nfs/dbraw/zinc/69/35/35/1025693535.db2.gz OPMFACLMUPDTPK-KGLIPLIRSA-N 1 2 337.872 3.935 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247361804 1025693541 /nfs/dbraw/zinc/69/35/41/1025693541.db2.gz OPMFACLMUPDTPK-KGLIPLIRSA-N 1 2 337.872 3.935 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)[nH]2)cc1 ZINC000436409120 1025705408 /nfs/dbraw/zinc/70/54/08/1025705408.db2.gz IAQVUYATANOPDE-ROUUACIJSA-N 1 2 348.450 3.810 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(F)c1 ZINC000347242991 1025717014 /nfs/dbraw/zinc/71/70/14/1025717014.db2.gz YGBUMFLVPFZTIR-KBXCAEBGSA-N 1 2 327.403 3.551 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(F)c1 ZINC000347242991 1025717029 /nfs/dbraw/zinc/71/70/29/1025717029.db2.gz YGBUMFLVPFZTIR-KBXCAEBGSA-N 1 2 327.403 3.551 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1c1ccccc1 ZINC000451254304 1025729230 /nfs/dbraw/zinc/72/92/30/1025729230.db2.gz BQNXTJBSDWAWLU-BEFAXECRSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1c1ccccc1 ZINC000451254304 1025729251 /nfs/dbraw/zinc/72/92/51/1025729251.db2.gz BQNXTJBSDWAWLU-BEFAXECRSA-N 1 2 342.439 3.596 20 0 EHADLO Cc1cccc([C@H](C)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081317135 1025750526 /nfs/dbraw/zinc/75/05/26/1025750526.db2.gz GYDNCNXQVSUVMS-FXAWDEMLSA-N 1 2 347.462 3.932 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2cc(F)ccc2Cl)C[C@@H]1c1ccccc1 ZINC000451280586 1025751430 /nfs/dbraw/zinc/75/14/30/1025751430.db2.gz HIYJIDWPEBZGNJ-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@H]1c1ccccc1 ZINC000451280586 1025751444 /nfs/dbraw/zinc/75/14/44/1025751444.db2.gz HIYJIDWPEBZGNJ-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451282198 1025757321 /nfs/dbraw/zinc/75/73/21/1025757321.db2.gz BEOZAKKCZYQXKY-CRAIPNDOSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482725 1025759611 /nfs/dbraw/zinc/75/96/11/1025759611.db2.gz BGEAIZPGXPHNCT-KNBMTAEXSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000436482725 1025759625 /nfs/dbraw/zinc/75/96/25/1025759625.db2.gz BGEAIZPGXPHNCT-KNBMTAEXSA-N 1 2 345.870 3.705 20 0 EHADLO CC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1COC1 ZINC000451289337 1025771655 /nfs/dbraw/zinc/77/16/55/1025771655.db2.gz VUAGUVDHZNIAIS-UHFFFAOYSA-N 1 2 332.831 3.535 20 0 EHADLO CC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1COC1 ZINC000451289337 1025771670 /nfs/dbraw/zinc/77/16/70/1025771670.db2.gz VUAGUVDHZNIAIS-UHFFFAOYSA-N 1 2 332.831 3.535 20 0 EHADLO COc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c(OC2CCCC2)c1 ZINC000657387050 1025772748 /nfs/dbraw/zinc/77/27/48/1025772748.db2.gz LEXPAFIGMWJFFT-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO COc1ccc(CNCc2[nH]c(C)c(C)[nH+]2)c(OC2CCCC2)c1 ZINC000657387050 1025772764 /nfs/dbraw/zinc/77/27/64/1025772764.db2.gz LEXPAFIGMWJFFT-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO CCOCc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000436486886 1025790571 /nfs/dbraw/zinc/79/05/71/1025790571.db2.gz CIFONECQMIJEQH-UHFFFAOYSA-N 1 2 327.428 3.865 20 0 EHADLO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000342480122 1025794103 /nfs/dbraw/zinc/79/41/03/1025794103.db2.gz MODYQRKYHGJIQS-GOSISDBHSA-N 1 2 343.471 3.945 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2cccc(-n3ccnn3)c2)c[nH+]1 ZINC000348414408 1025805092 /nfs/dbraw/zinc/80/50/92/1025805092.db2.gz ROGURKMGDONYAG-HNNXBMFYSA-N 1 2 336.443 3.682 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000436548979 1025852578 /nfs/dbraw/zinc/85/25/78/1025852578.db2.gz VWDCMVQOCGELMN-UHFFFAOYSA-N 1 2 341.455 3.841 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657392763 1025865057 /nfs/dbraw/zinc/86/50/57/1025865057.db2.gz BEQZCQBRQANSMR-UHFFFAOYSA-N 1 2 327.472 3.997 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451359208 1025865811 /nfs/dbraw/zinc/86/58/11/1025865811.db2.gz VSOKGJMDPLOUOU-BJOHPYRUSA-N 1 2 339.798 3.810 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000451371801 1025897441 /nfs/dbraw/zinc/89/74/41/1025897441.db2.gz FLVZFTXDEYXTGN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000451371801 1025897464 /nfs/dbraw/zinc/89/74/64/1025897464.db2.gz FLVZFTXDEYXTGN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c(C)c1 ZINC000657398106 1025923603 /nfs/dbraw/zinc/92/36/03/1025923603.db2.gz YVUUQBFKOUIHLI-UHFFFAOYSA-N 1 2 340.402 3.608 20 0 EHADLO Cc1oc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C[C@@H]3C)nc(N)c2c1C ZINC000451402201 1025933383 /nfs/dbraw/zinc/93/33/83/1025933383.db2.gz ATDXYLRUZDZUDA-GZMMTYOYSA-N 1 2 342.365 3.585 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C[C@@H]3C)nc(N)c2c1C ZINC000451402201 1025933402 /nfs/dbraw/zinc/93/34/02/1025933402.db2.gz ATDXYLRUZDZUDA-GZMMTYOYSA-N 1 2 342.365 3.585 20 0 EHADLO CCc1c2ccccc2oc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000451407669 1025936621 /nfs/dbraw/zinc/93/66/21/1025936621.db2.gz WDHXTAOVCMWIEV-UHFFFAOYSA-N 1 2 337.423 3.800 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051615859 1025937746 /nfs/dbraw/zinc/93/77/46/1025937746.db2.gz JXKVDKZMHSJITO-UHFFFAOYSA-N 1 2 347.390 3.567 20 0 EHADLO c1coc(C[NH+]2CCN(c3ncc(-c4ccccc4)s3)CC2)c1 ZINC000475061322 1025947202 /nfs/dbraw/zinc/94/72/02/1025947202.db2.gz HWWMSEUSWSHDGY-UHFFFAOYSA-N 1 2 325.437 3.725 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000522092801 1025962596 /nfs/dbraw/zinc/96/25/96/1025962596.db2.gz PSYYBRSLYRGSMO-KGLIPLIRSA-N 1 2 338.521 3.885 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000522092801 1025962605 /nfs/dbraw/zinc/96/26/05/1025962605.db2.gz PSYYBRSLYRGSMO-KGLIPLIRSA-N 1 2 338.521 3.885 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)n1cc[nH+]c1 ZINC000516099482 1025974140 /nfs/dbraw/zinc/97/41/40/1025974140.db2.gz FLMDAKWTWRHNLS-AWEZNQCLSA-N 1 2 337.427 3.549 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001167567290 1025991726 /nfs/dbraw/zinc/99/17/26/1025991726.db2.gz CNNOACHVZSSJBM-XHSDSOJGSA-N 1 2 349.475 3.699 20 0 EHADLO COC(=O)[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001167567290 1025991736 /nfs/dbraw/zinc/99/17/36/1025991736.db2.gz CNNOACHVZSSJBM-XHSDSOJGSA-N 1 2 349.475 3.699 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3ccc(F)cc3)[nH+]c12 ZINC000522965976 1026010509 /nfs/dbraw/zinc/01/05/09/1026010509.db2.gz VFHHOZYCAYERFU-GOSISDBHSA-N 1 2 337.398 3.688 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000436671351 1026014426 /nfs/dbraw/zinc/01/44/26/1026014426.db2.gz VUTVFFJQURGJIR-UHFFFAOYSA-N 1 2 341.455 3.629 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)no1 ZINC000451506071 1026026395 /nfs/dbraw/zinc/02/63/95/1026026395.db2.gz UEMLBMZLPRHOLG-SJORKVTESA-N 1 2 343.471 3.651 20 0 EHADLO C[C@H]1CCC[C@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451485495 1026030030 /nfs/dbraw/zinc/03/00/30/1026030030.db2.gz BCCBRQIKUUEDSE-YWZLYKJASA-N 1 2 329.488 3.752 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000042297806 1026057565 /nfs/dbraw/zinc/05/75/65/1026057565.db2.gz CPJSDFPWOMHDKI-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000042297806 1026057586 /nfs/dbraw/zinc/05/75/86/1026057586.db2.gz CPJSDFPWOMHDKI-AWEZNQCLSA-N 1 2 344.480 3.876 20 0 EHADLO CCC[NH+](CCC)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000127537998 1026066227 /nfs/dbraw/zinc/06/62/27/1026066227.db2.gz VDSGLHBSOMKKHB-UHFFFAOYSA-N 1 2 334.489 3.706 20 0 EHADLO Cn1ncc(C2CC2)c1CNc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000657408603 1026069647 /nfs/dbraw/zinc/06/96/47/1026069647.db2.gz PHJZHYKFXHYCGF-UHFFFAOYSA-N 1 2 327.819 3.749 20 0 EHADLO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314870 1026075419 /nfs/dbraw/zinc/07/54/19/1026075419.db2.gz UAGRCNPRFZRQMC-AEFFLSMTSA-N 1 2 332.492 3.835 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451525202 1026079138 /nfs/dbraw/zinc/07/91/38/1026079138.db2.gz FQFOANINJDJRBA-NHYWBVRUSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000451525202 1026079148 /nfs/dbraw/zinc/07/91/48/1026079148.db2.gz FQFOANINJDJRBA-NHYWBVRUSA-N 1 2 345.270 3.679 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc3ccccc3c2O)[C@H](c2ccccc2)C1 ZINC000436753726 1026141831 /nfs/dbraw/zinc/14/18/31/1026141831.db2.gz GADUGKOYZKPXIU-FQEVSTJZSA-N 1 2 346.430 3.674 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc3ccccc3c2O)[C@H](c2ccccc2)C1 ZINC000436753726 1026141841 /nfs/dbraw/zinc/14/18/41/1026141841.db2.gz GADUGKOYZKPXIU-FQEVSTJZSA-N 1 2 346.430 3.674 20 0 EHADLO C[C@H](N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC000530688151 1026203356 /nfs/dbraw/zinc/20/33/56/1026203356.db2.gz JWHAHLSIDCQRDD-NSHDSACASA-N 1 2 340.311 3.774 20 0 EHADLO CCc1nccc(C)c1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000934460780 1026218611 /nfs/dbraw/zinc/21/86/11/1026218611.db2.gz RCHPRKKUUFWHDY-UHFFFAOYSA-N 1 2 342.443 3.637 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000127640963 1026225330 /nfs/dbraw/zinc/22/53/30/1026225330.db2.gz JSTKXRQRJPWREI-ZBFHGGJFSA-N 1 2 344.434 3.732 20 0 EHADLO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000158663797 1026226642 /nfs/dbraw/zinc/22/66/42/1026226642.db2.gz DVPZXKYUZFPRQQ-NSHDSACASA-N 1 2 345.436 3.937 20 0 EHADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000158663797 1026226654 /nfs/dbraw/zinc/22/66/54/1026226654.db2.gz DVPZXKYUZFPRQQ-NSHDSACASA-N 1 2 345.436 3.937 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000530703295 1026232794 /nfs/dbraw/zinc/23/27/94/1026232794.db2.gz FKHMJEDVYMZFBI-SFHVURJKSA-N 1 2 342.414 3.697 20 0 EHADLO CCc1ccc(O)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000530703295 1026232809 /nfs/dbraw/zinc/23/28/09/1026232809.db2.gz FKHMJEDVYMZFBI-SFHVURJKSA-N 1 2 342.414 3.697 20 0 EHADLO O=C1[C@H]([NH+]2CC(c3nc4ccccc4s3)C2)CCN1c1ccccc1 ZINC000342548800 1026248861 /nfs/dbraw/zinc/24/88/61/1026248861.db2.gz LXCMCXMNJPJPPN-QGZVFWFLSA-N 1 2 349.459 3.501 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1sccc1Br ZINC000048698166 1026271678 /nfs/dbraw/zinc/27/16/78/1026271678.db2.gz LSKBTISSABUSHK-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO c1ccc(Oc2ccc(C[N@@H+]3CCOCC34CCCCC4)nn2)cc1 ZINC000451816160 1026295034 /nfs/dbraw/zinc/29/50/34/1026295034.db2.gz NQLAECVVGMGQQN-UHFFFAOYSA-N 1 2 339.439 3.804 20 0 EHADLO c1ccc(Oc2ccc(C[N@H+]3CCOCC34CCCCC4)nn2)cc1 ZINC000451816160 1026295048 /nfs/dbraw/zinc/29/50/48/1026295048.db2.gz NQLAECVVGMGQQN-UHFFFAOYSA-N 1 2 339.439 3.804 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848348 1026322792 /nfs/dbraw/zinc/32/27/92/1026322792.db2.gz ZHFPMFINGPXLNP-LPHOPBHVSA-N 1 2 338.451 3.554 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451848348 1026322803 /nfs/dbraw/zinc/32/28/03/1026322803.db2.gz ZHFPMFINGPXLNP-LPHOPBHVSA-N 1 2 338.451 3.554 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451863305 1026332241 /nfs/dbraw/zinc/33/22/41/1026332241.db2.gz VYLVLAICMPNWFF-KRWDZBQOSA-N 1 2 329.396 3.949 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451863305 1026332254 /nfs/dbraw/zinc/33/22/54/1026332254.db2.gz VYLVLAICMPNWFF-KRWDZBQOSA-N 1 2 329.396 3.949 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000451875171 1026343513 /nfs/dbraw/zinc/34/35/13/1026343513.db2.gz UTOYBUPVHJEQIJ-LBPRGKRZSA-N 1 2 343.418 3.612 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000451875171 1026343527 /nfs/dbraw/zinc/34/35/27/1026343527.db2.gz UTOYBUPVHJEQIJ-LBPRGKRZSA-N 1 2 343.418 3.612 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110050 1026371528 /nfs/dbraw/zinc/37/15/28/1026371528.db2.gz DACCMJRUZHYAAS-SJORKVTESA-N 1 2 341.455 3.927 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897110050 1026371540 /nfs/dbraw/zinc/37/15/40/1026371540.db2.gz DACCMJRUZHYAAS-SJORKVTESA-N 1 2 341.455 3.927 20 0 EHADLO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(O)c1 ZINC000530902436 1026389091 /nfs/dbraw/zinc/38/90/91/1026389091.db2.gz VUZZNKLEDPFFKQ-UHFFFAOYSA-N 1 2 330.334 3.957 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(O)c1 ZINC000530902436 1026389103 /nfs/dbraw/zinc/38/91/03/1026389103.db2.gz VUZZNKLEDPFFKQ-UHFFFAOYSA-N 1 2 330.334 3.957 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc[nH+]1 ZINC000112298616 1026415030 /nfs/dbraw/zinc/41/50/30/1026415030.db2.gz FJKBQNDIMMJTJE-UHFFFAOYSA-N 1 2 330.815 3.730 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000122391699 1026426926 /nfs/dbraw/zinc/42/69/26/1026426926.db2.gz KWTDAKRWNLAUIK-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000122391699 1026426936 /nfs/dbraw/zinc/42/69/36/1026426936.db2.gz KWTDAKRWNLAUIK-FQEVSTJZSA-N 1 2 337.467 3.704 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3[C@H](C)CCC3(C)C)s2)cc1 ZINC000452009400 1026445173 /nfs/dbraw/zinc/44/51/73/1026445173.db2.gz PSVZGWKTGMEBBH-CYBMUJFWSA-N 1 2 344.484 3.862 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3[C@H](C)CCC3(C)C)s2)cc1 ZINC000452009400 1026445180 /nfs/dbraw/zinc/44/51/80/1026445180.db2.gz PSVZGWKTGMEBBH-CYBMUJFWSA-N 1 2 344.484 3.862 20 0 EHADLO COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000452078516 1026459374 /nfs/dbraw/zinc/45/93/74/1026459374.db2.gz GVDWJFYRLYTDMT-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000452078516 1026459379 /nfs/dbraw/zinc/45/93/79/1026459379.db2.gz GVDWJFYRLYTDMT-GFCCVEGCSA-N 1 2 345.270 3.680 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC3C[C@@H]4CC1C[C@H](C3)C4)C2 ZINC000475317129 1026474071 /nfs/dbraw/zinc/47/40/71/1026474071.db2.gz FCYOULFWFRZHIP-QSFKDOLUSA-N 1 2 341.499 3.675 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC3C[C@@H]4CC1C[C@H](C3)C4)CC2 ZINC000475317129 1026474078 /nfs/dbraw/zinc/47/40/78/1026474078.db2.gz FCYOULFWFRZHIP-QSFKDOLUSA-N 1 2 341.499 3.675 20 0 EHADLO CCC(C)(C)NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000475331847 1026485685 /nfs/dbraw/zinc/48/56/85/1026485685.db2.gz ZRLQVTAQPBEDPM-GOSISDBHSA-N 1 2 345.874 3.719 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000531055658 1026515044 /nfs/dbraw/zinc/51/50/44/1026515044.db2.gz XEPBGDWEANZBER-FQEVSTJZSA-N 1 2 345.446 3.932 20 0 EHADLO CC(C)C[N@H+](Cc1cncn1C)Cc1ccccc1Br ZINC000122524693 1026527100 /nfs/dbraw/zinc/52/71/00/1026527100.db2.gz PZFZNXBSMRDEKZ-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO CC(C)C[N@@H+](Cc1cncn1C)Cc1ccccc1Br ZINC000122524693 1026527108 /nfs/dbraw/zinc/52/71/08/1026527108.db2.gz PZFZNXBSMRDEKZ-UHFFFAOYSA-N 1 2 336.277 3.841 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000582549772 1026548030 /nfs/dbraw/zinc/54/80/30/1026548030.db2.gz JNIQDXHEXAZIAY-INIZCTEOSA-N 1 2 329.444 3.922 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452202841 1026568642 /nfs/dbraw/zinc/56/86/42/1026568642.db2.gz CFVVLZFLHFJQMK-UHFFFAOYSA-N 1 2 341.789 3.823 20 0 EHADLO CCO[C@@H](CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000452210055 1026576713 /nfs/dbraw/zinc/57/67/13/1026576713.db2.gz TZCFKEFPBBNQCQ-KRWDZBQOSA-N 1 2 349.862 3.593 20 0 EHADLO CCCc1nc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)co1 ZINC000347321776 1026584343 /nfs/dbraw/zinc/58/43/43/1026584343.db2.gz ODZYXYRZZPHPGB-UHFFFAOYSA-N 1 2 335.367 3.589 20 0 EHADLO CN(C)C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1 ZINC000657467008 1026593729 /nfs/dbraw/zinc/59/37/29/1026593729.db2.gz DOJZOOFDJKOKPJ-GOSISDBHSA-N 1 2 346.421 3.899 20 0 EHADLO CC[C@@H]1CCc2ccccc2N1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000531135673 1026603743 /nfs/dbraw/zinc/60/37/43/1026603743.db2.gz ZBXALRYAMBFPDG-GOSISDBHSA-N 1 2 333.435 3.943 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000897271027 1026629592 /nfs/dbraw/zinc/62/95/92/1026629592.db2.gz FXBHLWUNCDBVIT-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000897271027 1026629599 /nfs/dbraw/zinc/62/95/99/1026629599.db2.gz FXBHLWUNCDBVIT-GFCCVEGCSA-N 1 2 334.407 3.801 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000168014743 1026648154 /nfs/dbraw/zinc/64/81/54/1026648154.db2.gz NMGFWCINKJHUKV-BBRMVZONSA-N 1 2 345.466 3.792 20 0 EHADLO Cc1ccc(O)c(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000277713290 1026659345 /nfs/dbraw/zinc/65/93/45/1026659345.db2.gz MTBCKADPLPSEGE-UHFFFAOYSA-N 1 2 334.423 3.908 20 0 EHADLO Cc1nc2sc(-c3ccccc3)cc2c(NCCn2cc[nH+]c2)n1 ZINC000301055332 1026669336 /nfs/dbraw/zinc/66/93/36/1026669336.db2.gz BUEPDJMMZIWWIT-UHFFFAOYSA-N 1 2 335.436 3.975 20 0 EHADLO Nc1cc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc[nH+]1 ZINC000193048051 1026670016 /nfs/dbraw/zinc/67/00/16/1026670016.db2.gz PGOWXOZPUHXKFN-UHFFFAOYSA-N 1 2 341.415 3.689 20 0 EHADLO O=C(NCC[C@H]1CCc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452316853 1026676381 /nfs/dbraw/zinc/67/63/81/1026676381.db2.gz OXARZHAUNOOKKH-LJQANCHMSA-N 1 2 345.446 3.781 20 0 EHADLO Cc1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000301083811 1026679987 /nfs/dbraw/zinc/67/99/87/1026679987.db2.gz KSEHNEUXHWXFLW-INIZCTEOSA-N 1 2 338.455 3.764 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)Nc1c[nH+]c2n1CCCC2 ZINC000452336629 1026692076 /nfs/dbraw/zinc/69/20/76/1026692076.db2.gz WKAPLFLBLDURHN-UHFFFAOYSA-N 1 2 329.366 3.917 20 0 EHADLO CC(C)[C@H]1C[C@H](Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CS1 ZINC000475440966 1026706272 /nfs/dbraw/zinc/70/62/72/1026706272.db2.gz OLAQINOHNFKQHC-TXCZRRACSA-N 1 2 335.517 3.637 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122720738 1026706394 /nfs/dbraw/zinc/70/63/94/1026706394.db2.gz LMUKRAHVXOEPDZ-RHSMWYFYSA-N 1 2 331.847 3.579 20 0 EHADLO CC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccncc1 ZINC000342712054 1026803147 /nfs/dbraw/zinc/80/31/47/1026803147.db2.gz ILESEPKVHYCRFK-ZWKOTPCHSA-N 1 2 334.423 3.594 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(C)c1OC ZINC000582632355 1026831002 /nfs/dbraw/zinc/83/10/02/1026831002.db2.gz DNYSLNSRZNFBAW-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(C)c1OC ZINC000582632355 1026831008 /nfs/dbraw/zinc/83/10/08/1026831008.db2.gz DNYSLNSRZNFBAW-LJQANCHMSA-N 1 2 345.414 3.725 20 0 EHADLO CSc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000531345457 1026832421 /nfs/dbraw/zinc/83/24/21/1026832421.db2.gz DCGWFFLOWHGEHT-UHFFFAOYSA-N 1 2 338.864 3.860 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764151 1026844698 /nfs/dbraw/zinc/84/46/98/1026844698.db2.gz MLUAVCKRYVGIDM-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764151 1026844704 /nfs/dbraw/zinc/84/47/04/1026844704.db2.gz MLUAVCKRYVGIDM-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000452586995 1026856159 /nfs/dbraw/zinc/85/61/59/1026856159.db2.gz FPPZNLDAHUWMMQ-GUYCJALGSA-N 1 2 347.821 3.506 20 0 EHADLO Cc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c2c([nH+]1)CCCC2 ZINC000301567541 1026857697 /nfs/dbraw/zinc/85/76/97/1026857697.db2.gz MRKZXDAAYAPRMD-QGZVFWFLSA-N 1 2 337.423 3.734 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1cccc(F)c1 ZINC000025417455 1026858545 /nfs/dbraw/zinc/85/85/45/1026858545.db2.gz OMXMFJJGWXARQF-FQEVSTJZSA-N 1 2 335.382 3.538 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416023 1026858953 /nfs/dbraw/zinc/85/89/53/1026858953.db2.gz WJFRBDLGDRTJMM-OAQYLSRUSA-N 1 2 331.419 3.708 20 0 EHADLO Cc1cc(N2CCN(c3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000301589441 1026863695 /nfs/dbraw/zinc/86/36/95/1026863695.db2.gz XCEGMDINZBGEOF-UHFFFAOYSA-N 1 2 332.398 3.513 20 0 EHADLO FC(F)(F)c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301771712 1026932695 /nfs/dbraw/zinc/93/26/95/1026932695.db2.gz LKPKQYQRJYAWST-LLVKDONJSA-N 1 2 342.752 3.840 20 0 EHADLO COc1cc(C)cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301801146 1026943541 /nfs/dbraw/zinc/94/35/41/1026943541.db2.gz SKTRMPNUOOWHMX-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO Clc1ccccc1O[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301804244 1026945408 /nfs/dbraw/zinc/94/54/08/1026945408.db2.gz BDAHYYJCKAKKGE-CQSZACIVSA-N 1 2 344.846 3.610 20 0 EHADLO Clc1ccccc1O[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301804244 1026945416 /nfs/dbraw/zinc/94/54/16/1026945416.db2.gz BDAHYYJCKAKKGE-CQSZACIVSA-N 1 2 344.846 3.610 20 0 EHADLO Cc1csc([C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C2CC2)n1 ZINC000301841336 1026960115 /nfs/dbraw/zinc/96/01/15/1026960115.db2.gz BNYZWMQSSDSATE-CYBMUJFWSA-N 1 2 342.472 3.909 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2nc(N)c3ccccc3[nH+]2)cc1OC ZINC000301871656 1026972305 /nfs/dbraw/zinc/97/23/05/1026972305.db2.gz IXIZETJSEDSQKV-GFCCVEGCSA-N 1 2 338.411 3.711 20 0 EHADLO Nc1nc(N[C@@H](c2ccccc2)c2ccccn2)[nH+]c2ccccc12 ZINC000301892095 1026981722 /nfs/dbraw/zinc/98/17/22/1026981722.db2.gz RSIOFJUGESNWBN-SFHVURJKSA-N 1 2 327.391 3.809 20 0 EHADLO C[C@@H](c1ccccc1F)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301894957 1026982904 /nfs/dbraw/zinc/98/29/04/1026982904.db2.gz PPMDPZXGYTXSBS-LBPRGKRZSA-N 1 2 327.407 3.918 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@H]1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301899116 1026985132 /nfs/dbraw/zinc/98/51/32/1026985132.db2.gz SVPUTTGLMSWHIR-DZGCQCFKSA-N 1 2 345.491 3.835 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1ccc(F)cc1 ZINC000301900916 1026986562 /nfs/dbraw/zinc/98/65/62/1026986562.db2.gz VEHYQCCHWZKOFX-LBPRGKRZSA-N 1 2 343.406 3.600 20 0 EHADLO Cc1cccc(C)c1OCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301902407 1026986914 /nfs/dbraw/zinc/98/69/14/1026986914.db2.gz WJNYKFXKBATANE-UHFFFAOYSA-N 1 2 339.443 3.689 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903039 1026987533 /nfs/dbraw/zinc/98/75/33/1026987533.db2.gz WYXOHSPJLAISPC-OLZOCXBDSA-N 1 2 333.505 3.692 20 0 EHADLO Fc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1OC(F)(F)F ZINC001143446214 1026990021 /nfs/dbraw/zinc/99/00/21/1026990021.db2.gz AMUXYXPGIJMWFH-JTQLQIEISA-N 1 2 339.329 3.754 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cc2ccccc2[nH]1 ZINC000301915152 1026992383 /nfs/dbraw/zinc/99/23/83/1026992383.db2.gz IOCWLNAFXOUKBC-UHFFFAOYSA-N 1 2 334.427 3.717 20 0 EHADLO COc1ccccc1C[C@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301973689 1027012495 /nfs/dbraw/zinc/01/24/95/1027012495.db2.gz ADTADKALRRIUDA-INIZCTEOSA-N 1 2 340.471 3.543 20 0 EHADLO COc1ccccc1C[C@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301973689 1027012503 /nfs/dbraw/zinc/01/25/03/1027012503.db2.gz ADTADKALRRIUDA-INIZCTEOSA-N 1 2 340.471 3.543 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)C[C@@H]2CC2(C)C)c1)[NH+]1CCOCC1 ZINC000666005900 1027017111 /nfs/dbraw/zinc/01/71/11/1027017111.db2.gz ZMBBDVLZUJDKCV-RDJZCZTQSA-N 1 2 345.487 3.590 20 0 EHADLO C[C@H](CNc1cnc2cc(Cl)c(Cl)cc2n1)Cn1cc[nH+]c1 ZINC000302062468 1027040719 /nfs/dbraw/zinc/04/07/19/1027040719.db2.gz BWVZDNXSGFAVMG-SNVBAGLBSA-N 1 2 336.226 3.881 20 0 EHADLO Cc1nc(N[C@H](C)c2noc(Cc3ccccc3)n2)c2c([nH+]1)CCCC2 ZINC000302091619 1027050989 /nfs/dbraw/zinc/05/09/89/1027050989.db2.gz MLIWRIAYARXALS-CYBMUJFWSA-N 1 2 349.438 3.811 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000302117647 1027058621 /nfs/dbraw/zinc/05/86/21/1027058621.db2.gz SESJREOUPRFRHJ-FXAWDEMLSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000302117647 1027058630 /nfs/dbraw/zinc/05/86/30/1027058630.db2.gz SESJREOUPRFRHJ-FXAWDEMLSA-N 1 2 340.471 3.637 20 0 EHADLO CC[C@H]1Cc2ccccc2CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302193445 1027086112 /nfs/dbraw/zinc/08/61/12/1027086112.db2.gz COBSEWNFQJVFDP-INIZCTEOSA-N 1 2 335.455 3.923 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](CC)C2)ccc1OCC(F)(F)F ZINC000125571013 1027092939 /nfs/dbraw/zinc/09/29/39/1027092939.db2.gz OHSFRLALRSUIIW-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](CC)C2)ccc1OCC(F)(F)F ZINC000125571013 1027092947 /nfs/dbraw/zinc/09/29/47/1027092947.db2.gz OHSFRLALRSUIIW-AWEZNQCLSA-N 1 2 347.377 3.637 20 0 EHADLO C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000125720921 1027118226 /nfs/dbraw/zinc/11/82/26/1027118226.db2.gz CGAJGPIBCNMVDD-RHSMWYFYSA-N 1 2 343.858 3.678 20 0 EHADLO Cc1cnc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)n1C ZINC000342797660 1027130190 /nfs/dbraw/zinc/13/01/90/1027130190.db2.gz HFNKENKWHYNVDS-UHFFFAOYSA-N 1 2 349.478 3.703 20 0 EHADLO Cc1cnc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)n1C ZINC000342797660 1027130194 /nfs/dbraw/zinc/13/01/94/1027130194.db2.gz HFNKENKWHYNVDS-UHFFFAOYSA-N 1 2 349.478 3.703 20 0 EHADLO Cc1c[nH+]c(CN(CCCO)C(c2ccccc2)c2ccccc2)n1C ZINC000342797660 1027130203 /nfs/dbraw/zinc/13/02/03/1027130203.db2.gz HFNKENKWHYNVDS-UHFFFAOYSA-N 1 2 349.478 3.703 20 0 EHADLO Cc1nc([C@H]2CCCN2c2[nH+]cnc3c2cnn3C(C)(C)C)cs1 ZINC000302372547 1027133046 /nfs/dbraw/zinc/13/30/46/1027133046.db2.gz FKDLYOZZNAKAPY-CQSZACIVSA-N 1 2 342.472 3.688 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000531643224 1027135355 /nfs/dbraw/zinc/13/53/55/1027135355.db2.gz AQMBGOIJXYRXDE-UHFFFAOYSA-N 1 2 334.460 3.722 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000531643224 1027135370 /nfs/dbraw/zinc/13/53/70/1027135370.db2.gz AQMBGOIJXYRXDE-UHFFFAOYSA-N 1 2 334.460 3.722 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1cccc(O)c1)[C@H](C)c1ccc(F)cc1 ZINC000531645607 1027137031 /nfs/dbraw/zinc/13/70/31/1027137031.db2.gz QEPPESXTMFHGBA-OAHLLOKOSA-N 1 2 344.430 3.573 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1cccc(O)c1)[C@H](C)c1ccc(F)cc1 ZINC000531645607 1027137049 /nfs/dbraw/zinc/13/70/49/1027137049.db2.gz QEPPESXTMFHGBA-OAHLLOKOSA-N 1 2 344.430 3.573 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532550 1027146804 /nfs/dbraw/zinc/14/68/04/1027146804.db2.gz UCHBBBGQIDYHBI-LJQANCHMSA-N 1 2 333.435 3.902 20 0 EHADLO COc1cccc2c(NCCCc3nc(C(C)C)no3)cc[nH+]c12 ZINC000302448929 1027155040 /nfs/dbraw/zinc/15/50/40/1027155040.db2.gz OSIMSTAJPGTDAJ-UHFFFAOYSA-N 1 2 326.400 3.795 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556710 1027172195 /nfs/dbraw/zinc/17/21/95/1027172195.db2.gz WMBMOMZLMYUYPR-INIZCTEOSA-N 1 2 336.439 3.620 20 0 EHADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000272924936 1027181433 /nfs/dbraw/zinc/18/14/33/1027181433.db2.gz YQBMLYKDNGESRT-QHCPKHFHSA-N 1 2 349.883 3.644 20 0 EHADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000272924936 1027181474 /nfs/dbraw/zinc/18/14/74/1027181474.db2.gz YQBMLYKDNGESRT-QHCPKHFHSA-N 1 2 349.883 3.644 20 0 EHADLO Cc1nc(N2CCC(c3ccccc3Br)CC2)cc[nH+]1 ZINC000302538200 1027184673 /nfs/dbraw/zinc/18/46/73/1027184673.db2.gz GZIFNBUEFROWFW-UHFFFAOYSA-N 1 2 332.245 3.932 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000302534644 1027184908 /nfs/dbraw/zinc/18/49/08/1027184908.db2.gz RCJSBCKACGTPQU-CYBMUJFWSA-N 1 2 348.491 3.858 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1occc1CSc1ccccc1 ZINC000075848708 1027198001 /nfs/dbraw/zinc/19/80/01/1027198001.db2.gz UEUNEKZBDPSDHZ-AWEZNQCLSA-N 1 2 341.436 3.587 20 0 EHADLO COc1cccc2c(N[C@H](C)c3cn(-c4ccccc4)nn3)cc[nH+]c12 ZINC000302573983 1027201314 /nfs/dbraw/zinc/20/13/14/1027201314.db2.gz ZVQUQBXAHSTLTI-CQSZACIVSA-N 1 2 345.406 3.997 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076073276 1027235890 /nfs/dbraw/zinc/23/58/90/1027235890.db2.gz OZGQVEXYVTYQHO-GOSISDBHSA-N 1 2 348.450 3.695 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000273074759 1027256438 /nfs/dbraw/zinc/25/64/38/1027256438.db2.gz JYYRNXBGBLIBLM-BXUZGUMPSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273074759 1027256448 /nfs/dbraw/zinc/25/64/48/1027256448.db2.gz JYYRNXBGBLIBLM-BXUZGUMPSA-N 1 2 338.860 3.746 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(NC4CC4)[nH+]cn3)CCO2)cc1 ZINC000665711568 1027258199 /nfs/dbraw/zinc/25/81/99/1027258199.db2.gz XCTNOXPXIUMYCJ-HOTGVXAUSA-N 1 2 328.391 3.522 20 0 EHADLO Fc1ccc([C@@H]2C[C@@H](Nc3cc(NC4CC4)nc[nH+]3)CCO2)cc1 ZINC000665711568 1027258212 /nfs/dbraw/zinc/25/82/12/1027258212.db2.gz XCTNOXPXIUMYCJ-HOTGVXAUSA-N 1 2 328.391 3.522 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1ncc(CSC)s1 ZINC000453046479 1027258387 /nfs/dbraw/zinc/25/83/87/1027258387.db2.gz FBBSLBZIAUMLDG-UHFFFAOYSA-N 1 2 336.461 3.549 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccnn1C1CCCC1 ZINC000453047200 1027259611 /nfs/dbraw/zinc/25/96/11/1027259611.db2.gz OSSUGZKRQLTQIU-UHFFFAOYSA-N 1 2 329.835 3.572 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)ncn1 ZINC000428350308 1027264653 /nfs/dbraw/zinc/26/46/53/1027264653.db2.gz XPXQGXKFHAHAAM-LBPRGKRZSA-N 1 2 338.274 3.946 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)ncn1 ZINC000428350308 1027264661 /nfs/dbraw/zinc/26/46/61/1027264661.db2.gz XPXQGXKFHAHAAM-LBPRGKRZSA-N 1 2 338.274 3.946 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1)c1ccc2ccccc2c1 ZINC000501410895 1027268219 /nfs/dbraw/zinc/26/82/19/1027268219.db2.gz NXSJGSPWZSMDPS-AVYPCKFXSA-N 1 2 328.431 3.839 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1)c1ccc2ccccc2c1 ZINC000501410895 1027268234 /nfs/dbraw/zinc/26/82/34/1027268234.db2.gz NXSJGSPWZSMDPS-AVYPCKFXSA-N 1 2 328.431 3.839 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000302750970 1027273754 /nfs/dbraw/zinc/27/37/54/1027273754.db2.gz HALCFPGIOFQVBP-UHFFFAOYSA-N 1 2 349.360 3.772 20 0 EHADLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000076339565 1027274716 /nfs/dbraw/zinc/27/47/16/1027274716.db2.gz BFEMLXOVFWLXHN-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO CCOC(=O)c1csc(CCNc2[nH+]c3ccccc3cc2C)n1 ZINC000302756480 1027275367 /nfs/dbraw/zinc/27/53/67/1027275367.db2.gz ITZNWSYOMLETRL-UHFFFAOYSA-N 1 2 341.436 3.831 20 0 EHADLO Clc1ccc([C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C2CC2)cc1 ZINC000302778588 1027286997 /nfs/dbraw/zinc/28/69/97/1027286997.db2.gz HDNRDHOHOQHDIS-GOSISDBHSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccc([C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C2CC2)cc1 ZINC000302778588 1027287013 /nfs/dbraw/zinc/28/70/13/1027287013.db2.gz HDNRDHOHOQHDIS-GOSISDBHSA-N 1 2 344.846 3.530 20 0 EHADLO CCc1ncc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cn1 ZINC000414436860 1027290526 /nfs/dbraw/zinc/29/05/26/1027290526.db2.gz SMPUGHMZXMSQBD-IKGGRYGDSA-N 1 2 345.487 3.514 20 0 EHADLO CCc1ncc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cn1 ZINC000414436860 1027290541 /nfs/dbraw/zinc/29/05/41/1027290541.db2.gz SMPUGHMZXMSQBD-IKGGRYGDSA-N 1 2 345.487 3.514 20 0 EHADLO CCO[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000302806308 1027305088 /nfs/dbraw/zinc/30/50/88/1027305088.db2.gz FTWIRISVGDSWGM-KRWDZBQOSA-N 1 2 326.444 3.657 20 0 EHADLO CCO[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000302806308 1027305103 /nfs/dbraw/zinc/30/51/03/1027305103.db2.gz FTWIRISVGDSWGM-KRWDZBQOSA-N 1 2 326.444 3.657 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)ccn12 ZINC000582734697 1027312028 /nfs/dbraw/zinc/31/20/28/1027312028.db2.gz RCZJSSCNPFPYJC-LJQANCHMSA-N 1 2 348.450 3.686 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OCCC(C)C ZINC000657567642 1027321088 /nfs/dbraw/zinc/32/10/88/1027321088.db2.gz DCBKAZFJSNKZJP-GDBMZVCRSA-N 1 2 344.459 3.507 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657569072 1027328001 /nfs/dbraw/zinc/32/80/01/1027328001.db2.gz LDWJARJCPNHCIH-KSSFIOAISA-N 1 2 334.423 3.749 20 0 EHADLO Cc1cccn2cc(CCNC(=O)/C=C/c3cc(C)c(C)cc3C)[nH+]c12 ZINC001126727179 1027331067 /nfs/dbraw/zinc/33/10/67/1027331067.db2.gz BBLIBAMCXZUZQQ-BQYQJAHWSA-N 1 2 347.462 3.940 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000076872647 1027338094 /nfs/dbraw/zinc/33/80/94/1027338094.db2.gz BQKVOIJDRSHZRO-HNNXBMFYSA-N 1 2 346.368 3.762 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000076872647 1027338114 /nfs/dbraw/zinc/33/81/14/1027338114.db2.gz BQKVOIJDRSHZRO-HNNXBMFYSA-N 1 2 346.368 3.762 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)C2CC2)c(C)c1 ZINC000536561780 1027349559 /nfs/dbraw/zinc/34/95/59/1027349559.db2.gz VNIPCUHMPYWZSB-GOSISDBHSA-N 1 2 340.471 3.729 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000045860046 1027356545 /nfs/dbraw/zinc/35/65/45/1027356545.db2.gz GWJLZUNLXYHIQF-UHFFFAOYSA-N 1 2 329.306 3.726 20 0 EHADLO CCOc1ncccc1C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453094892 1027358497 /nfs/dbraw/zinc/35/84/97/1027358497.db2.gz UQNFCJKLPZGGKS-HNNXBMFYSA-N 1 2 336.439 3.732 20 0 EHADLO CSCCCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000273301795 1027365667 /nfs/dbraw/zinc/36/56/67/1027365667.db2.gz HARBUXOFYGEVJV-UHFFFAOYSA-N 1 2 331.485 3.585 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)ccn1 ZINC000453121548 1027397805 /nfs/dbraw/zinc/39/78/05/1027397805.db2.gz XNNOBOQEKAKOML-VYDXJSESSA-N 1 2 328.460 3.887 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000453129963 1027429801 /nfs/dbraw/zinc/42/98/01/1027429801.db2.gz FJDBICCKRHPTNE-AEFFLSMTSA-N 1 2 343.471 3.620 20 0 EHADLO Brc1ccc(C2([NH2+]Cc3nc(C4CC4)no3)CCC2)cc1 ZINC000128434656 1027434644 /nfs/dbraw/zinc/43/46/44/1027434644.db2.gz CYBMXTXMLAQUQF-UHFFFAOYSA-N 1 2 348.244 3.879 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453133797 1027438893 /nfs/dbraw/zinc/43/88/93/1027438893.db2.gz RIPFYTVIABIVCA-CYBMUJFWSA-N 1 2 341.484 3.913 20 0 EHADLO CC(C)c1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)nc(C(C)C)[nH+]1 ZINC000273480195 1027449368 /nfs/dbraw/zinc/44/93/68/1027449368.db2.gz MJNNQKNHENXDCF-OAHLLOKOSA-N 1 2 345.468 3.664 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862965 1027478722 /nfs/dbraw/zinc/47/87/22/1027478722.db2.gz LMEBNSCDQJSNKN-UHFFFAOYSA-N 1 2 339.439 3.682 20 0 EHADLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccncc1 ZINC000453187861 1027511440 /nfs/dbraw/zinc/51/14/40/1027511440.db2.gz DIPUVMKSPCAUOY-RKVPGOIHSA-N 1 2 326.444 3.653 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)c2cccs2)c2nccn2C)cc1 ZINC000129086186 1027517849 /nfs/dbraw/zinc/51/78/49/1027517849.db2.gz IZJOYZJVUXBBTN-CXAGYDPISA-N 1 2 327.453 3.930 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000129197387 1027530429 /nfs/dbraw/zinc/53/04/29/1027530429.db2.gz XBSZFZMHFFATMX-RBUKOAKNSA-N 1 2 331.419 3.601 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)OCc2ccccc2)cc1 ZINC000303372439 1027540074 /nfs/dbraw/zinc/54/00/74/1027540074.db2.gz KLSQMGSYVLPHOX-IBGZPJMESA-N 1 2 325.408 3.576 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)OCc2ccccc2)cc1 ZINC000303372439 1027540089 /nfs/dbraw/zinc/54/00/89/1027540089.db2.gz KLSQMGSYVLPHOX-IBGZPJMESA-N 1 2 325.408 3.576 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000665773685 1027567122 /nfs/dbraw/zinc/56/71/22/1027567122.db2.gz KHSQCBAWBIZQIG-SFHVURJKSA-N 1 2 348.450 3.891 20 0 EHADLO CCC[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000459317721 1027573581 /nfs/dbraw/zinc/57/35/81/1027573581.db2.gz NDYRBSSTNBQZPO-KRWDZBQOSA-N 1 2 332.492 3.720 20 0 EHADLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000047579047 1027592588 /nfs/dbraw/zinc/59/25/88/1027592588.db2.gz TZEQBVDZFKBGRQ-KRWDZBQOSA-N 1 2 348.450 3.534 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881608 1027596110 /nfs/dbraw/zinc/59/61/10/1027596110.db2.gz VLYLXCUMIRKTNA-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)C(F)(F)F ZINC000277881608 1027596122 /nfs/dbraw/zinc/59/61/22/1027596122.db2.gz VLYLXCUMIRKTNA-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1ccc2cccc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2n1 ZINC000129941223 1027620023 /nfs/dbraw/zinc/62/00/23/1027620023.db2.gz OLGHJMAKLMUOOD-QGZVFWFLSA-N 1 2 348.406 3.623 20 0 EHADLO FC(F)(F)C[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000420636669 1027649397 /nfs/dbraw/zinc/64/93/97/1027649397.db2.gz VNHKUFMPGYZFOW-ZDUSSCGKSA-N 1 2 328.382 3.636 20 0 EHADLO FC(F)(F)C[C@@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000420636669 1027649409 /nfs/dbraw/zinc/64/94/09/1027649409.db2.gz VNHKUFMPGYZFOW-ZDUSSCGKSA-N 1 2 328.382 3.636 20 0 EHADLO Fc1c(C[NH2+]Cc2nccn2-c2ccccc2)cccc1OC1CC1 ZINC000657621184 1027659840 /nfs/dbraw/zinc/65/98/40/1027659840.db2.gz IHWKOQNSSDWUNR-UHFFFAOYSA-N 1 2 337.398 3.842 20 0 EHADLO Cc1cc(-c2csc(NC(=O)C[C@H](C)n3cc[nH+]c3)n2)c(C)o1 ZINC000563961225 1027665070 /nfs/dbraw/zinc/66/50/70/1027665070.db2.gz XXGOSYMWISUIQS-JTQLQIEISA-N 1 2 330.413 3.806 20 0 EHADLO CCCOc1cccc2c(NCC(C)(C)C(=O)NCC)cc[nH+]c12 ZINC000501960398 1027667174 /nfs/dbraw/zinc/66/71/74/1027667174.db2.gz UPKLCUOQKXNUOM-UHFFFAOYSA-N 1 2 329.444 3.598 20 0 EHADLO CC1(C)CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000503235697 1027687757 /nfs/dbraw/zinc/68/77/57/1027687757.db2.gz BIHKZMKBMVTULP-SFHVURJKSA-N 1 2 344.499 3.643 20 0 EHADLO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342858303 1027694856 /nfs/dbraw/zinc/69/48/56/1027694856.db2.gz XZZLRFLXNHZASC-YESZJQIVSA-N 1 2 343.496 3.722 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000130833350 1027705975 /nfs/dbraw/zinc/70/59/75/1027705975.db2.gz RGPZNDWCNNFLAW-VNHYZAJKSA-N 1 2 337.533 3.796 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000130833350 1027705985 /nfs/dbraw/zinc/70/59/85/1027705985.db2.gz RGPZNDWCNNFLAW-VNHYZAJKSA-N 1 2 337.533 3.796 20 0 EHADLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n(Cc2cccnc2)n1 ZINC001213085577 1027708534 /nfs/dbraw/zinc/70/85/34/1027708534.db2.gz LULZSQIWWWYAHX-UHFFFAOYSA-N 1 2 330.395 3.769 20 0 EHADLO COc1ccc(CC[C@@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420784149 1027728070 /nfs/dbraw/zinc/72/80/70/1027728070.db2.gz WZYHMYGPTLNXJO-CQSZACIVSA-N 1 2 341.455 3.528 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CSC2 ZINC000657642298 1027758626 /nfs/dbraw/zinc/75/86/26/1027758626.db2.gz ZELHTEFZZNDHIY-LBPRGKRZSA-N 1 2 341.299 3.983 20 0 EHADLO C[C@@H]1C[C@]1([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000503366753 1027746596 /nfs/dbraw/zinc/74/65/96/1027746596.db2.gz KCLIOEJZTHCXLT-FZKQIMNGSA-N 1 2 330.863 3.683 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2cc(Cl)ccc2o1 ZINC000078376522 1027750515 /nfs/dbraw/zinc/75/05/15/1027750515.db2.gz MAMURKGBEJIXBP-UHFFFAOYSA-N 1 2 343.814 3.592 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)c1 ZINC000282011321 1027762290 /nfs/dbraw/zinc/76/22/90/1027762290.db2.gz OLHIFPRAMCDKPT-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)c1 ZINC000282011321 1027762309 /nfs/dbraw/zinc/76/23/09/1027762309.db2.gz OLHIFPRAMCDKPT-IBGZPJMESA-N 1 2 334.423 3.613 20 0 EHADLO Cc1c[nH]c(C[NH2+][C@H]2CSCc3ccc(Br)cc32)n1 ZINC000657642248 1027763654 /nfs/dbraw/zinc/76/36/54/1027763654.db2.gz XOVISPRRHRFWRA-ZDUSSCGKSA-N 1 2 338.274 3.558 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc(C)[nH+]1 ZINC000420841669 1027783808 /nfs/dbraw/zinc/78/38/08/1027783808.db2.gz CNAKIAQDSIZQMG-GXTWGEPZSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1Oc1cccnc1 ZINC000131504586 1027786378 /nfs/dbraw/zinc/78/63/78/1027786378.db2.gz JVPBRUNKRJNIJV-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc(C)[nH+]1 ZINC000420851830 1027794734 /nfs/dbraw/zinc/79/47/34/1027794734.db2.gz RKXSWKLKTWIIQH-UHFFFAOYSA-N 1 2 349.381 3.641 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000420851780 1027795387 /nfs/dbraw/zinc/79/53/87/1027795387.db2.gz RCRIVZCFBFVHNP-HXUWFJFHSA-N 1 2 341.430 3.711 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC2CC2)c(C)c1 ZINC000533391976 1027795820 /nfs/dbraw/zinc/79/58/20/1027795820.db2.gz XVTXYKSPHXPBRK-IBGZPJMESA-N 1 2 340.471 3.731 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131646632 1027806876 /nfs/dbraw/zinc/80/68/76/1027806876.db2.gz JDSZIIGKHYDMJI-INIZCTEOSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnn(-c4ccc(C)cc4C)c3)ccn12 ZINC001269362520 1027809789 /nfs/dbraw/zinc/80/97/89/1027809789.db2.gz JIKXDDVLXUBPIZ-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420870676 1027833772 /nfs/dbraw/zinc/83/37/72/1027833772.db2.gz VMLNWZFSNCIROT-CQSZACIVSA-N 1 2 329.469 3.981 20 0 EHADLO CCC1(CO)CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000305723993 1027874147 /nfs/dbraw/zinc/87/41/47/1027874147.db2.gz IYHOZVNGGVNIGR-GFCCVEGCSA-N 1 2 349.500 3.559 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420946345 1027906062 /nfs/dbraw/zinc/90/60/62/1027906062.db2.gz LPEDYZFDBFQMBQ-NSHDSACASA-N 1 2 349.422 3.617 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)sc1C ZINC000420946345 1027906082 /nfs/dbraw/zinc/90/60/82/1027906082.db2.gz LPEDYZFDBFQMBQ-NSHDSACASA-N 1 2 349.422 3.617 20 0 EHADLO CC[C@H]1C[NH+](Cc2ccc(Oc3ccccc3)nn2)C[C@H](CC)O1 ZINC000420964706 1027936871 /nfs/dbraw/zinc/93/68/71/1027936871.db2.gz XGCVUVZVEFOHAY-IRXDYDNUSA-N 1 2 327.428 3.658 20 0 EHADLO CC(=O)N[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 ZINC000420984999 1027943840 /nfs/dbraw/zinc/94/38/40/1027943840.db2.gz KFMOYBTZAQGQHW-KRWDZBQOSA-N 1 2 343.496 3.644 20 0 EHADLO CC(=O)N[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 ZINC000420984999 1027943857 /nfs/dbraw/zinc/94/38/57/1027943857.db2.gz KFMOYBTZAQGQHW-KRWDZBQOSA-N 1 2 343.496 3.644 20 0 EHADLO CNc1ccc(Nc2ncnc3ccc(Br)cc32)c[nH+]1 ZINC000112964829 1027955298 /nfs/dbraw/zinc/95/52/98/1027955298.db2.gz VQAXNMDBEQPARA-UHFFFAOYSA-N 1 2 330.189 3.573 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000533484712 1027974911 /nfs/dbraw/zinc/97/49/11/1027974911.db2.gz VNHCZISEHNEQNV-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000533484712 1027974926 /nfs/dbraw/zinc/97/49/26/1027974926.db2.gz VNHCZISEHNEQNV-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000533508221 1027989352 /nfs/dbraw/zinc/98/93/52/1027989352.db2.gz UALOMBOOMRRIRB-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000533508221 1027989370 /nfs/dbraw/zinc/98/93/70/1027989370.db2.gz UALOMBOOMRRIRB-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(F)cc2OC(C)C)cc(C)[nH+]1 ZINC000421084701 1028069845 /nfs/dbraw/zinc/06/98/45/1028069845.db2.gz GZWNPZFDPYHVKG-UHFFFAOYSA-N 1 2 331.391 3.946 20 0 EHADLO Brc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)ccn1 ZINC000293599953 1028074915 /nfs/dbraw/zinc/07/49/15/1028074915.db2.gz UYXGKBDKFZJTCG-UHFFFAOYSA-N 1 2 347.256 3.888 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NCC1CC1 ZINC000533557522 1028076679 /nfs/dbraw/zinc/07/66/79/1028076679.db2.gz BWNXXFCFZLGTCV-MRXNPFEDSA-N 1 2 340.389 3.759 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NCC1CC1 ZINC000533557522 1028076697 /nfs/dbraw/zinc/07/66/97/1028076697.db2.gz BWNXXFCFZLGTCV-MRXNPFEDSA-N 1 2 340.389 3.759 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccsc2)cc1)C1CC1 ZINC000444653689 1028116912 /nfs/dbraw/zinc/11/69/12/1028116912.db2.gz WTEWESWOHYLQLM-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccsc2)cc1)C1CC1 ZINC000444653689 1028116921 /nfs/dbraw/zinc/11/69/21/1028116921.db2.gz WTEWESWOHYLQLM-CQSZACIVSA-N 1 2 349.521 3.813 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000502335203 1028121072 /nfs/dbraw/zinc/12/10/72/1028121072.db2.gz AXICGGRVWJYUPT-IDKBZEPQSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCOC[C@]12CCOC2 ZINC000502335203 1028121080 /nfs/dbraw/zinc/12/10/80/1028121080.db2.gz AXICGGRVWJYUPT-IDKBZEPQSA-N 1 2 341.373 3.600 20 0 EHADLO O=C(CCCOc1ccc(F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926552 1028140024 /nfs/dbraw/zinc/14/00/24/1028140024.db2.gz YEBCIHITZOVERI-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692725 1028167476 /nfs/dbraw/zinc/16/74/76/1028167476.db2.gz MXAWGTSWVYQGTP-UONOGXRCSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692725 1028167487 /nfs/dbraw/zinc/16/74/87/1028167487.db2.gz MXAWGTSWVYQGTP-UONOGXRCSA-N 1 2 332.394 3.663 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444702051 1028175955 /nfs/dbraw/zinc/17/59/55/1028175955.db2.gz QQRICIDGBACITB-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444702051 1028175962 /nfs/dbraw/zinc/17/59/62/1028175962.db2.gz QQRICIDGBACITB-CYBMUJFWSA-N 1 2 348.393 3.823 20 0 EHADLO CCOC(=O)c1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455466895 1028197870 /nfs/dbraw/zinc/19/78/70/1028197870.db2.gz GCMAAPZVQOPFAK-UHFFFAOYSA-N 1 2 341.411 3.505 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735341 1028199931 /nfs/dbraw/zinc/19/99/31/1028199931.db2.gz ZJEXTJAFFQSJIQ-YGRLFVJLSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735341 1028199938 /nfs/dbraw/zinc/19/99/38/1028199938.db2.gz ZJEXTJAFFQSJIQ-YGRLFVJLSA-N 1 2 346.374 3.538 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)C[C@H]2OCCc3ccccc32)c(C)[nH+]1 ZINC000455470148 1028203165 /nfs/dbraw/zinc/20/31/65/1028203165.db2.gz HXUOXKRTUYYFBY-GOSISDBHSA-N 1 2 339.439 3.785 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455476402 1028210051 /nfs/dbraw/zinc/21/00/51/1028210051.db2.gz DUSVJXQOKGYPFY-HNNXBMFYSA-N 1 2 333.819 3.515 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2c[nH]c3cc(F)ccc23)c(C)[nH+]1 ZINC000455476700 1028210353 /nfs/dbraw/zinc/21/03/53/1028210353.db2.gz LQCVPXHTWQRHEB-UHFFFAOYSA-N 1 2 340.402 3.991 20 0 EHADLO CC(C)(C)Oc1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1 ZINC001211902052 1028239293 /nfs/dbraw/zinc/23/92/93/1028239293.db2.gz SORQIFFSILVXCJ-UHFFFAOYSA-N 1 2 349.381 3.621 20 0 EHADLO COC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000455486486 1028253904 /nfs/dbraw/zinc/25/39/04/1028253904.db2.gz KQEMBSFPQMLWNG-INIZCTEOSA-N 1 2 349.381 3.794 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475612356 1028255795 /nfs/dbraw/zinc/25/57/95/1028255795.db2.gz OGWWTDSCQJKXCV-HKUYNNGSSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000055057852 1028257918 /nfs/dbraw/zinc/25/79/18/1028257918.db2.gz DTFJFWGHJMMYPU-NSHDSACASA-N 1 2 338.354 3.648 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000055057852 1028257932 /nfs/dbraw/zinc/25/79/32/1028257932.db2.gz DTFJFWGHJMMYPU-NSHDSACASA-N 1 2 338.354 3.648 20 0 EHADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)nn1C ZINC000421322399 1028265444 /nfs/dbraw/zinc/26/54/44/1028265444.db2.gz DUDICSSOZZWVDZ-UHFFFAOYSA-N 1 2 333.741 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)c(Br)c1 ZINC000444783771 1028281875 /nfs/dbraw/zinc/28/18/75/1028281875.db2.gz UBZXYXMBYSXGQT-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCC23CCC3)c(Br)c1 ZINC000444783771 1028281889 /nfs/dbraw/zinc/28/18/89/1028281889.db2.gz UBZXYXMBYSXGQT-UHFFFAOYSA-N 1 2 337.261 3.715 20 0 EHADLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287815 1028304573 /nfs/dbraw/zinc/30/45/73/1028304573.db2.gz SZPMTMBKHJNMQP-AEFFLSMTSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cc(COC(C)(C)C)on2)c(C)[nH+]1 ZINC000455537449 1028316566 /nfs/dbraw/zinc/31/65/66/1028316566.db2.gz WTEPNHDEQGRGLT-UHFFFAOYSA-N 1 2 346.431 3.632 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511216680 1028318590 /nfs/dbraw/zinc/31/85/90/1028318590.db2.gz ZORCLOUMRPVIFR-ROUUACIJSA-N 1 2 329.488 3.773 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(-c3ncn(C)n3)c2)n1-c1ccccc1 ZINC000153603952 1028337436 /nfs/dbraw/zinc/33/74/36/1028337436.db2.gz QVGFQIGNFKHQJM-UHFFFAOYSA-N 1 2 344.422 3.588 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000056817212 1028344213 /nfs/dbraw/zinc/34/42/13/1028344213.db2.gz PJVYIUQIVUYQAU-SJORKVTESA-N 1 2 340.471 3.557 20 0 EHADLO CC[C@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccc(OC)c(OC)c1 ZINC000421358822 1028347141 /nfs/dbraw/zinc/34/71/41/1028347141.db2.gz UZTLHOPXPOTTDY-ZDUSSCGKSA-N 1 2 337.851 3.640 20 0 EHADLO CC(C)(C)c1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000067479029 1028367339 /nfs/dbraw/zinc/36/73/39/1028367339.db2.gz KRNHNTNUKUDTMB-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO O[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CC2 ZINC000428382384 1028389273 /nfs/dbraw/zinc/38/92/73/1028389273.db2.gz RKSRFOKZNPYYAI-GFCCVEGCSA-N 1 2 339.279 3.681 20 0 EHADLO O[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CC2 ZINC000428382384 1028389289 /nfs/dbraw/zinc/38/92/89/1028389289.db2.gz RKSRFOKZNPYYAI-GFCCVEGCSA-N 1 2 339.279 3.681 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454288520 1028390374 /nfs/dbraw/zinc/39/03/74/1028390374.db2.gz JRXAZVOCJBBIMG-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000161996341 1028391152 /nfs/dbraw/zinc/39/11/52/1028391152.db2.gz BCKHKKZCMWMUFL-KRWDZBQOSA-N 1 2 348.397 3.659 20 0 EHADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000193153761 1028415955 /nfs/dbraw/zinc/41/59/55/1028415955.db2.gz ZFKJTICJJJDEJC-ZDUSSCGKSA-N 1 2 332.835 3.597 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cnc(-c3cccs3)s1)C2 ZINC000897333232 1028420027 /nfs/dbraw/zinc/42/00/27/1028420027.db2.gz DMHLZQCABRZCAN-UHFFFAOYSA-N 1 2 330.482 3.646 20 0 EHADLO CCc1nc(C)c(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000428384735 1028433982 /nfs/dbraw/zinc/43/39/82/1028433982.db2.gz XONKGYPWBZMXIM-HNNXBMFYSA-N 1 2 331.435 3.563 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000428384735 1028433989 /nfs/dbraw/zinc/43/39/89/1028433989.db2.gz XONKGYPWBZMXIM-HNNXBMFYSA-N 1 2 331.435 3.563 20 0 EHADLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cc(F)ccc1F ZINC000455556318 1028448590 /nfs/dbraw/zinc/44/85/90/1028448590.db2.gz KKWRHEMGOLBTOG-KRWDZBQOSA-N 1 2 333.382 3.927 20 0 EHADLO COc1c(C)cc(CN(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000455562256 1028474588 /nfs/dbraw/zinc/47/45/88/1028474588.db2.gz RXANRHQCGJLWNC-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(Sc3ccccc3)CC2)c[nH+]1 ZINC000455563552 1028479726 /nfs/dbraw/zinc/47/97/26/1028479726.db2.gz UEMZDRBVPFGXEY-UHFFFAOYSA-N 1 2 341.480 3.823 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000455565860 1028482630 /nfs/dbraw/zinc/48/26/30/1028482630.db2.gz XCCKALMEQQVTJG-SFHVURJKSA-N 1 2 339.439 3.754 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000342979775 1028492600 /nfs/dbraw/zinc/49/26/00/1028492600.db2.gz VFGZHRHZRBTJSD-XLIONFOSSA-N 1 2 337.467 3.763 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137746 1028493884 /nfs/dbraw/zinc/49/38/84/1028493884.db2.gz MVFRHQJQHLHLGD-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137746 1028493899 /nfs/dbraw/zinc/49/38/99/1028493899.db2.gz MVFRHQJQHLHLGD-OAHLLOKOSA-N 1 2 344.405 3.874 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1n[nH]c2ccccc21 ZINC000072052466 1028495647 /nfs/dbraw/zinc/49/56/47/1028495647.db2.gz NFHGYKRQPAPSHO-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC000246435278 1028501598 /nfs/dbraw/zinc/50/15/98/1028501598.db2.gz NCWDTMKYYZYCQN-UGFHNGPFSA-N 1 2 347.427 3.504 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC000246435278 1028501602 /nfs/dbraw/zinc/50/16/02/1028501602.db2.gz NCWDTMKYYZYCQN-UGFHNGPFSA-N 1 2 347.427 3.504 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000504310173 1028557592 /nfs/dbraw/zinc/55/75/92/1028557592.db2.gz POMYLHMAVBHIMU-SFHVURJKSA-N 1 2 338.455 3.739 20 0 EHADLO Cc1cc(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000421574933 1028566916 /nfs/dbraw/zinc/56/69/16/1028566916.db2.gz IASOFKNHXYWCIN-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc(C)[nH+]1 ZINC000421576396 1028571638 /nfs/dbraw/zinc/57/16/38/1028571638.db2.gz MFQDABOVZTVPQN-UHFFFAOYSA-N 1 2 348.406 3.556 20 0 EHADLO C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)Oc1ccccc1Cl ZINC000195073843 1028576374 /nfs/dbraw/zinc/57/63/74/1028576374.db2.gz RXDPPSBZAYRDIP-SUMWQHHRSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1nn(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(=O)c2ccccc12 ZINC000054472624 1028582925 /nfs/dbraw/zinc/58/29/25/1028582925.db2.gz ZJDQAOPGSKALIS-KRWDZBQOSA-N 1 2 347.462 3.963 20 0 EHADLO Cc1nn(C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(=O)c2ccccc12 ZINC000054472624 1028582937 /nfs/dbraw/zinc/58/29/37/1028582937.db2.gz ZJDQAOPGSKALIS-KRWDZBQOSA-N 1 2 347.462 3.963 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000054472615 1028585282 /nfs/dbraw/zinc/58/52/82/1028585282.db2.gz DHKUAPHGTXUQHO-INIZCTEOSA-N 1 2 333.435 3.655 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000054472615 1028585290 /nfs/dbraw/zinc/58/52/90/1028585290.db2.gz DHKUAPHGTXUQHO-INIZCTEOSA-N 1 2 333.435 3.655 20 0 EHADLO CCCCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1OC ZINC000897337081 1028586016 /nfs/dbraw/zinc/58/60/16/1028586016.db2.gz VENSPEJLVBHIBT-UHFFFAOYSA-N 1 2 343.471 3.649 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000583034474 1028595945 /nfs/dbraw/zinc/59/59/45/1028595945.db2.gz NORBELMHQWFORZ-HNAYVOBHSA-N 1 2 345.462 3.843 20 0 EHADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000583034474 1028595956 /nfs/dbraw/zinc/59/59/56/1028595956.db2.gz NORBELMHQWFORZ-HNAYVOBHSA-N 1 2 345.462 3.843 20 0 EHADLO CCOC(=O)c1nc(C)sc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086638 1028605762 /nfs/dbraw/zinc/60/57/62/1028605762.db2.gz UQXSCKSZZHRKRG-UHFFFAOYSA-N 1 2 328.397 3.762 20 0 EHADLO CC1(C)C[NH+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000583034820 1028616141 /nfs/dbraw/zinc/61/61/41/1028616141.db2.gz QAXFJQJMUJEHQT-QGZVFWFLSA-N 1 2 346.521 3.626 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000079325330 1028632302 /nfs/dbraw/zinc/63/23/02/1028632302.db2.gz XQFYLOHBUJVEMF-PWSUYJOCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000079325330 1028632313 /nfs/dbraw/zinc/63/23/13/1028632313.db2.gz XQFYLOHBUJVEMF-PWSUYJOCSA-N 1 2 345.896 3.532 20 0 EHADLO Cc1csc2c1ncnc2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000195347643 1028633372 /nfs/dbraw/zinc/63/33/72/1028633372.db2.gz HQQGXQHLAKZXIB-UHFFFAOYSA-N 1 2 335.436 3.857 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000135996312 1028644497 /nfs/dbraw/zinc/64/44/97/1028644497.db2.gz JFCKZDFESCTYIJ-MRXNPFEDSA-N 1 2 347.821 3.786 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000135996312 1028644506 /nfs/dbraw/zinc/64/45/06/1028644506.db2.gz JFCKZDFESCTYIJ-MRXNPFEDSA-N 1 2 347.821 3.786 20 0 EHADLO Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H]([NH3+])c3c(F)cccc3F)C2)c1 ZINC000423871707 1028661293 /nfs/dbraw/zinc/66/12/93/1028661293.db2.gz HCGCWVQGEORWAG-IFXJQAMLSA-N 1 2 344.405 3.598 20 0 EHADLO Cc1cc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)nc(C2CC2)[nH+]1 ZINC000246583724 1028663307 /nfs/dbraw/zinc/66/33/07/1028663307.db2.gz UJQZJWOJVSLUNC-HUUCEWRRSA-N 1 2 329.469 3.816 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000246857011 1028701607 /nfs/dbraw/zinc/70/16/07/1028701607.db2.gz CDYCKBBWYOWCKC-KGLIPLIRSA-N 1 2 340.414 3.573 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000246857011 1028701620 /nfs/dbraw/zinc/70/16/20/1028701620.db2.gz CDYCKBBWYOWCKC-KGLIPLIRSA-N 1 2 340.414 3.573 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245411376 1028705408 /nfs/dbraw/zinc/70/54/08/1028705408.db2.gz WPHSFOIMMLEDJI-AHIWAGSCSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245411376 1028705422 /nfs/dbraw/zinc/70/54/22/1028705422.db2.gz WPHSFOIMMLEDJI-AHIWAGSCSA-N 1 2 333.407 3.889 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001211974436 1028710455 /nfs/dbraw/zinc/71/04/55/1028710455.db2.gz OAAVHXBXJLRXLX-UHFFFAOYSA-N 1 2 345.786 3.917 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000246955612 1028718972 /nfs/dbraw/zinc/71/89/72/1028718972.db2.gz RGPZNDWCNNFLAW-NFAWXSAZSA-N 1 2 337.533 3.796 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000246955612 1028718989 /nfs/dbraw/zinc/71/89/89/1028718989.db2.gz RGPZNDWCNNFLAW-NFAWXSAZSA-N 1 2 337.533 3.796 20 0 EHADLO CC[C@H]1CCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454310682 1028751115 /nfs/dbraw/zinc/75/11/15/1028751115.db2.gz GNOWNFLFRNLLAP-OALUTQOASA-N 1 2 340.471 3.557 20 0 EHADLO c1cc2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)ccc2s1 ZINC000278074719 1028806150 /nfs/dbraw/zinc/80/61/50/1028806150.db2.gz NNOROSAAKIITME-HUUCEWRRSA-N 1 2 341.436 3.877 20 0 EHADLO c1cc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)ccc2s1 ZINC000278074719 1028806168 /nfs/dbraw/zinc/80/61/68/1028806168.db2.gz NNOROSAAKIITME-HUUCEWRRSA-N 1 2 341.436 3.877 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1ccncc1Cl)c1nnc2n1CCCCC2 ZINC000421826963 1028815196 /nfs/dbraw/zinc/81/51/96/1028815196.db2.gz VRARBYZNLSOSEI-DOMZBBRYSA-N 1 2 333.867 3.855 20 0 EHADLO CC1CCC(c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)CC1 ZINC000583110024 1028848605 /nfs/dbraw/zinc/84/86/05/1028848605.db2.gz HESSHBNEPRSYDN-UHFFFAOYSA-N 1 2 341.455 3.863 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000424182553 1028856208 /nfs/dbraw/zinc/85/62/08/1028856208.db2.gz ZRRCESXKDRDEEJ-GOSISDBHSA-N 1 2 343.862 3.730 20 0 EHADLO CC[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123310020 1028876420 /nfs/dbraw/zinc/87/64/20/1028876420.db2.gz YXZIOXPUBLUSON-JKSUJKDBSA-N 1 2 342.443 3.662 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000114237354 1028883462 /nfs/dbraw/zinc/88/34/62/1028883462.db2.gz LOZKPNZAXLHRSD-KRWDZBQOSA-N 1 2 329.488 3.773 20 0 EHADLO COCc1nc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)cs1 ZINC000424201355 1028886944 /nfs/dbraw/zinc/88/69/44/1028886944.db2.gz OGYSBBWBPOQIJZ-UHFFFAOYSA-N 1 2 340.876 3.976 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000114266655 1028898008 /nfs/dbraw/zinc/89/80/08/1028898008.db2.gz XZESUQTVBPNKKS-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)c2nccs2)c1C ZINC000248477221 1028917248 /nfs/dbraw/zinc/91/72/48/1028917248.db2.gz YPXNLVBNUIYHDC-GWCFXTLKSA-N 1 2 347.484 3.597 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)C[C@H](C)c2nccs2)c1C ZINC000248477221 1028917270 /nfs/dbraw/zinc/91/72/70/1028917270.db2.gz YPXNLVBNUIYHDC-GWCFXTLKSA-N 1 2 347.484 3.597 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cnc3ccsc3c2)s1 ZINC000424319132 1028965374 /nfs/dbraw/zinc/96/53/74/1028965374.db2.gz DWYRNZUTBKDTKA-NXEZZACHSA-N 1 2 347.465 3.951 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cccc4nccn43)C2)c1 ZINC000503028059 1028986004 /nfs/dbraw/zinc/98/60/04/1028986004.db2.gz AKZNSIVHBPFELK-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cccc4nccn43)C2)c1 ZINC000503028059 1028986019 /nfs/dbraw/zinc/98/60/19/1028986019.db2.gz AKZNSIVHBPFELK-LJQANCHMSA-N 1 2 327.378 3.853 20 0 EHADLO Cc1sc(CNC(=O)NCc2c[nH+]c(C)cc2C)nc1C(C)C ZINC000454509121 1028993263 /nfs/dbraw/zinc/99/32/63/1028993263.db2.gz MSQJFVCJSPWIED-UHFFFAOYSA-N 1 2 332.473 3.586 20 0 EHADLO CSc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431524939 1028999115 /nfs/dbraw/zinc/99/91/15/1028999115.db2.gz RHIFLWWRGSMBSZ-UHFFFAOYSA-N 1 2 337.448 3.835 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076513547 1029007795 /nfs/dbraw/zinc/00/77/95/1029007795.db2.gz PVCXBHOEWHJCOH-KRWDZBQOSA-N 1 2 349.409 3.716 20 0 EHADLO C[C@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925915 1029050700 /nfs/dbraw/zinc/05/07/00/1029050700.db2.gz CLPYOIQLDVWJJM-QFBILLFUSA-N 1 2 338.451 3.866 20 0 EHADLO C[C@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC(C)(C)O1 ZINC000532925915 1029050720 /nfs/dbraw/zinc/05/07/20/1029050720.db2.gz CLPYOIQLDVWJJM-QFBILLFUSA-N 1 2 338.451 3.866 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076925082 1029058403 /nfs/dbraw/zinc/05/84/03/1029058403.db2.gz NVBOXZUWJJUESI-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000445712413 1029077800 /nfs/dbraw/zinc/07/78/00/1029077800.db2.gz RSFDSDYBPTVNRE-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000664391136 1029089995 /nfs/dbraw/zinc/08/99/95/1029089995.db2.gz XMMPFXBMFOQSFQ-WFASDCNBSA-N 1 2 336.505 3.685 20 0 EHADLO CC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000664391136 1029090015 /nfs/dbraw/zinc/09/00/15/1029090015.db2.gz XMMPFXBMFOQSFQ-WFASDCNBSA-N 1 2 336.505 3.685 20 0 EHADLO O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000154311843 1029107810 /nfs/dbraw/zinc/10/78/10/1029107810.db2.gz XZDCUEWHKHLAOJ-ICSRJNTNSA-N 1 2 337.467 3.883 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960732 1029129041 /nfs/dbraw/zinc/12/90/41/1029129041.db2.gz AGHINPMEUMURBD-IAGOWNOFSA-N 1 2 339.863 3.835 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960732 1029129047 /nfs/dbraw/zinc/12/90/47/1029129047.db2.gz AGHINPMEUMURBD-IAGOWNOFSA-N 1 2 339.863 3.835 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000532981571 1029137784 /nfs/dbraw/zinc/13/77/84/1029137784.db2.gz IKWONSJUEIRJDF-HOTGVXAUSA-N 1 2 342.487 3.876 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000532981571 1029137791 /nfs/dbraw/zinc/13/77/91/1029137791.db2.gz IKWONSJUEIRJDF-HOTGVXAUSA-N 1 2 342.487 3.876 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(O)c1 ZINC000532988342 1029146526 /nfs/dbraw/zinc/14/65/26/1029146526.db2.gz JJOJOJMQQWCNDX-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(O)c1 ZINC000532988342 1029146536 /nfs/dbraw/zinc/14/65/36/1029146536.db2.gz JJOJOJMQQWCNDX-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C)c(Br)c1 ZINC000532974221 1029151913 /nfs/dbraw/zinc/15/19/13/1029151913.db2.gz XRNOUTIDULNRLI-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(Br)c1 ZINC000532974221 1029151922 /nfs/dbraw/zinc/15/19/22/1029151922.db2.gz XRNOUTIDULNRLI-STQMWFEESA-N 1 2 339.277 3.816 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000124184742 1029152216 /nfs/dbraw/zinc/15/22/16/1029152216.db2.gz GEDQIZRQXIDRSX-UHFFFAOYSA-N 1 2 344.312 3.595 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H](F)C3)n2)C1 ZINC000424610827 1029169753 /nfs/dbraw/zinc/16/97/53/1029169753.db2.gz QIOMGTBLSHUOHX-MGPQQGTHSA-N 1 2 339.480 3.842 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H](F)C3)n2)C1 ZINC000424610827 1029169758 /nfs/dbraw/zinc/16/97/58/1029169758.db2.gz QIOMGTBLSHUOHX-MGPQQGTHSA-N 1 2 339.480 3.842 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)[nH+]1 ZINC000077896790 1029174877 /nfs/dbraw/zinc/17/48/77/1029174877.db2.gz JRVTXLHWPJCBON-SNVBAGLBSA-N 1 2 345.403 3.718 20 0 EHADLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000271811703 1029184416 /nfs/dbraw/zinc/18/44/16/1029184416.db2.gz YNWRADTXRKVYQV-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO CC(C)Oc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000154446642 1029191399 /nfs/dbraw/zinc/19/13/99/1029191399.db2.gz WEIKFYLZGMNDRZ-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000154446642 1029191410 /nfs/dbraw/zinc/19/14/10/1029191410.db2.gz WEIKFYLZGMNDRZ-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428464853 1029215988 /nfs/dbraw/zinc/21/59/88/1029215988.db2.gz UXTATTWEASXQCY-DOMZBBRYSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428464853 1029216004 /nfs/dbraw/zinc/21/60/04/1029216004.db2.gz UXTATTWEASXQCY-DOMZBBRYSA-N 1 2 327.877 3.508 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000424714696 1029264814 /nfs/dbraw/zinc/26/48/14/1029264814.db2.gz DEDDZDAHTJLZJF-YLJYHZDGSA-N 1 2 338.451 3.639 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(OC)c1 ZINC000245773376 1029273416 /nfs/dbraw/zinc/27/34/16/1029273416.db2.gz SFMTXFUDKLGDHO-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(OC)c1 ZINC000245773376 1029273432 /nfs/dbraw/zinc/27/34/32/1029273432.db2.gz SFMTXFUDKLGDHO-UGSOOPFHSA-N 1 2 333.453 3.727 20 0 EHADLO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H](CO)c1ccccc1 ZINC000343114270 1029278690 /nfs/dbraw/zinc/27/86/90/1029278690.db2.gz ZOBDEAHXVNLIPC-SFHVURJKSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H](CO)c1ccccc1 ZINC000343114270 1029278699 /nfs/dbraw/zinc/27/86/99/1029278699.db2.gz ZOBDEAHXVNLIPC-SFHVURJKSA-N 1 2 326.371 3.646 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H](CO)c1ccccc1 ZINC000343117447 1029288823 /nfs/dbraw/zinc/28/88/23/1029288823.db2.gz MTBFUJKMERZRAH-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H](CO)c1ccccc1 ZINC000343117447 1029288836 /nfs/dbraw/zinc/28/88/36/1029288836.db2.gz MTBFUJKMERZRAH-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC000445988001 1029296682 /nfs/dbraw/zinc/29/66/82/1029296682.db2.gz KLUIKQSGHLEDCQ-QEJZJMRPSA-N 1 2 329.362 3.883 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(Cl)c1 ZINC000505181653 1029331490 /nfs/dbraw/zinc/33/14/90/1029331490.db2.gz HWSJYROLGXHGSN-JKIFEVAISA-N 1 2 343.858 3.685 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ncc(C(C)(C)C)o1)CC2 ZINC000535969573 1029337968 /nfs/dbraw/zinc/33/79/68/1029337968.db2.gz PWIJDFBBBMGVLW-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ncc(C(C)(C)C)o1)CC2 ZINC000535969573 1029337982 /nfs/dbraw/zinc/33/79/82/1029337982.db2.gz PWIJDFBBBMGVLW-UHFFFAOYSA-N 1 2 326.440 3.776 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000454838777 1029369424 /nfs/dbraw/zinc/36/94/24/1029369424.db2.gz YMDBRYMNUARBCH-OLZOCXBDSA-N 1 2 332.835 3.514 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000255882767 1029375702 /nfs/dbraw/zinc/37/57/02/1029375702.db2.gz XIWDNVVGHMQTII-UPHRSURJSA-N 1 2 349.409 3.790 20 0 EHADLO COCC[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(C)o1 ZINC000272253538 1029381483 /nfs/dbraw/zinc/38/14/83/1029381483.db2.gz IJMSCBHGFXZVPN-SFHVURJKSA-N 1 2 339.439 3.700 20 0 EHADLO CC(C)c1ccc(OCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000524702302 1029439864 /nfs/dbraw/zinc/43/98/64/1029439864.db2.gz WQNJLQYDGMLHIQ-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000454896416 1029446999 /nfs/dbraw/zinc/44/69/99/1029446999.db2.gz WIQQSNPYIUCLDK-WMLDXEAASA-N 1 2 347.821 3.846 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(CC(F)(F)F)C(C)C ZINC000524759421 1029490906 /nfs/dbraw/zinc/49/09/06/1029490906.db2.gz NRIBPECXJRZTJZ-CYBMUJFWSA-N 1 2 348.434 3.857 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(CC(F)(F)F)C(C)C ZINC000524759421 1029490897 /nfs/dbraw/zinc/49/08/97/1029490897.db2.gz NRIBPECXJRZTJZ-CYBMUJFWSA-N 1 2 348.434 3.857 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000078961715 1029508175 /nfs/dbraw/zinc/50/81/75/1029508175.db2.gz FTDMHNJKZFHIHS-SFHVURJKSA-N 1 2 325.456 3.915 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000078961715 1029508183 /nfs/dbraw/zinc/50/81/83/1029508183.db2.gz FTDMHNJKZFHIHS-SFHVURJKSA-N 1 2 325.456 3.915 20 0 EHADLO FC(F)(F)[C@H]1CC[C@H](C[NH+](Cc2ccco2)Cc2ccco2)O1 ZINC000929091190 1029546195 /nfs/dbraw/zinc/54/61/95/1029546195.db2.gz IKURHXNKFUBSPJ-HUUCEWRRSA-N 1 2 329.318 3.985 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000125587285 1029556361 /nfs/dbraw/zinc/55/63/61/1029556361.db2.gz UUHHNQSTOIJYTM-GFCCVEGCSA-N 1 2 337.876 3.715 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000524854368 1029567075 /nfs/dbraw/zinc/56/70/75/1029567075.db2.gz RBFVZCVMGGGZAA-IBGZPJMESA-N 1 2 337.467 3.560 20 0 EHADLO Cc1cc(C)c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272699418 1029571309 /nfs/dbraw/zinc/57/13/09/1029571309.db2.gz VYSGUCRVKKJBIX-INIZCTEOSA-N 1 2 339.395 3.520 20 0 EHADLO Cc1cc(C)c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000272699418 1029571316 /nfs/dbraw/zinc/57/13/16/1029571316.db2.gz VYSGUCRVKKJBIX-INIZCTEOSA-N 1 2 339.395 3.520 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455027709 1029574368 /nfs/dbraw/zinc/57/43/68/1029574368.db2.gz WALIDEDVNMBFDE-GOSISDBHSA-N 1 2 336.439 3.864 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC4)C3)n2)C1 ZINC000343162410 1029574600 /nfs/dbraw/zinc/57/46/00/1029574600.db2.gz YTFTVSNNHKWUEA-ZFWWWQNUSA-N 1 2 348.516 3.639 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC4)C3)n2)C1 ZINC000343162410 1029574607 /nfs/dbraw/zinc/57/46/07/1029574607.db2.gz YTFTVSNNHKWUEA-ZFWWWQNUSA-N 1 2 348.516 3.639 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)sc1C ZINC000533335478 1029634511 /nfs/dbraw/zinc/63/45/11/1029634511.db2.gz MDPCPRXJUHPWPY-LBPRGKRZSA-N 1 2 329.469 3.572 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)sc1C ZINC000533335478 1029634517 /nfs/dbraw/zinc/63/45/17/1029634517.db2.gz MDPCPRXJUHPWPY-LBPRGKRZSA-N 1 2 329.469 3.572 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)CCC2 ZINC000583331250 1029662751 /nfs/dbraw/zinc/66/27/51/1029662751.db2.gz XPCJKQAAKLIIKI-AUUYWEPGSA-N 1 2 325.456 3.906 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)CCC2 ZINC000583331250 1029662759 /nfs/dbraw/zinc/66/27/59/1029662759.db2.gz XPCJKQAAKLIIKI-AUUYWEPGSA-N 1 2 325.456 3.906 20 0 EHADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(C)s1 ZINC001272146518 1029663142 /nfs/dbraw/zinc/66/31/42/1029663142.db2.gz LNMOCSZOUPKISK-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(C)s1 ZINC001272146518 1029663149 /nfs/dbraw/zinc/66/31/49/1029663149.db2.gz LNMOCSZOUPKISK-UHFFFAOYSA-N 1 2 346.418 3.608 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000079880376 1029734684 /nfs/dbraw/zinc/73/46/84/1029734684.db2.gz HEWLDOAYECSBBH-LLVKDONJSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000079880376 1029734692 /nfs/dbraw/zinc/73/46/92/1029734692.db2.gz HEWLDOAYECSBBH-LLVKDONJSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cs1 ZINC000126599779 1029760286 /nfs/dbraw/zinc/76/02/86/1029760286.db2.gz HGTFDFMSRRJTLO-JTQLQIEISA-N 1 2 333.848 3.536 20 0 EHADLO CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429755686 1029765728 /nfs/dbraw/zinc/76/57/28/1029765728.db2.gz FXWLTWXFJUHMCM-CQSZACIVSA-N 1 2 342.443 3.591 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446730186 1029766123 /nfs/dbraw/zinc/76/61/23/1029766123.db2.gz YQZHHFGGGVXXFJ-VBKZILBWSA-N 1 2 344.405 3.955 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446730186 1029766131 /nfs/dbraw/zinc/76/61/31/1029766131.db2.gz YQZHHFGGGVXXFJ-VBKZILBWSA-N 1 2 344.405 3.955 20 0 EHADLO CCCC(CCC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509683166 1029772213 /nfs/dbraw/zinc/77/22/13/1029772213.db2.gz YOWJGAUKJKIVLI-UHFFFAOYSA-N 1 2 346.519 3.773 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3coc(-c4ccccc4)n3)CC2)cs1 ZINC000536012172 1029780557 /nfs/dbraw/zinc/78/05/57/1029780557.db2.gz BUHBNWBWBHNXRK-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO COc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211579872 1029785822 /nfs/dbraw/zinc/78/58/22/1029785822.db2.gz KVETWJGDGHBRBM-CQSZACIVSA-N 1 2 345.349 3.611 20 0 EHADLO C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1cccs1 ZINC000156307326 1029803790 /nfs/dbraw/zinc/80/37/90/1029803790.db2.gz IIZXUHQEJIUURG-CQSZACIVSA-N 1 2 325.437 3.542 20 0 EHADLO CC(C)[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000446851612 1029819382 /nfs/dbraw/zinc/81/93/82/1029819382.db2.gz DMUZQPWWMVCGHR-AEFFLSMTSA-N 1 2 345.487 3.590 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536022621 1029820426 /nfs/dbraw/zinc/82/04/26/1029820426.db2.gz SEWPESHEWSZCRP-HZPDHXFCSA-N 1 2 346.521 3.566 20 0 EHADLO C[C@@H]1C[C@@H](C)N(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445256 1029850925 /nfs/dbraw/zinc/85/09/25/1029850925.db2.gz GTJKWZMDWWIIDA-MGPQQGTHSA-N 1 2 336.505 3.637 20 0 EHADLO C[C@@H]1C[C@@H](C)N(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445256 1029850928 /nfs/dbraw/zinc/85/09/28/1029850928.db2.gz GTJKWZMDWWIIDA-MGPQQGTHSA-N 1 2 336.505 3.637 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1cnc(C)cn1 ZINC000428466479 1029905154 /nfs/dbraw/zinc/90/51/54/1029905154.db2.gz WXBUEPMSLQGUNJ-INIZCTEOSA-N 1 2 326.444 3.505 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1cnc(C)cn1 ZINC000428466479 1029905164 /nfs/dbraw/zinc/90/51/64/1029905164.db2.gz WXBUEPMSLQGUNJ-INIZCTEOSA-N 1 2 326.444 3.505 20 0 EHADLO Cc1nnc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000892339788 1029936386 /nfs/dbraw/zinc/93/63/86/1029936386.db2.gz LSWLVCMCTHYJBJ-UHFFFAOYSA-N 1 2 325.441 3.658 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000120198834 1029943645 /nfs/dbraw/zinc/94/36/45/1029943645.db2.gz RRAAFCTZXJOTBJ-HNNXBMFYSA-N 1 2 329.444 3.583 20 0 EHADLO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000120198834 1029943659 /nfs/dbraw/zinc/94/36/59/1029943659.db2.gz RRAAFCTZXJOTBJ-HNNXBMFYSA-N 1 2 329.444 3.583 20 0 EHADLO CC(C)c1ccc(C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)cc1 ZINC000509632860 1029951675 /nfs/dbraw/zinc/95/16/75/1029951675.db2.gz HRWNJHUDNPDCIJ-MRXNPFEDSA-N 1 2 335.455 3.556 20 0 EHADLO CC(C)(C)[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000531888928 1029986045 /nfs/dbraw/zinc/98/60/45/1029986045.db2.gz VQRJVCLSFKWRSI-UHFFFAOYSA-N 1 2 335.455 3.522 20 0 EHADLO CC(C)(C)[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000531888928 1029986067 /nfs/dbraw/zinc/98/60/67/1029986067.db2.gz VQRJVCLSFKWRSI-UHFFFAOYSA-N 1 2 335.455 3.522 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)sc1C ZINC000470000473 1030023782 /nfs/dbraw/zinc/02/37/82/1030023782.db2.gz QPUJPQALWCCQJR-LLVKDONJSA-N 1 2 349.422 3.615 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)sc1C ZINC000470000473 1030023799 /nfs/dbraw/zinc/02/37/99/1030023799.db2.gz QPUJPQALWCCQJR-LLVKDONJSA-N 1 2 349.422 3.615 20 0 EHADLO CCOC(=O)c1cc2cc(N)ccc2n1-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089015 1030038897 /nfs/dbraw/zinc/03/88/97/1030038897.db2.gz PCZXTJDHIUOMFL-UHFFFAOYSA-N 1 2 346.390 3.780 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000583530992 1030046470 /nfs/dbraw/zinc/04/64/70/1030046470.db2.gz CJOKKOOUDDPSAE-UHFFFAOYSA-N 1 2 328.435 3.523 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)n(C3CC3)c2C)c1C ZINC000058958274 1030142263 /nfs/dbraw/zinc/14/22/63/1030142263.db2.gz ZXLCXLXWKRFUCL-UHFFFAOYSA-N 1 2 341.455 3.732 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000453355018 1030149513 /nfs/dbraw/zinc/14/95/13/1030149513.db2.gz HENKMOZDWWEGDZ-LLVKDONJSA-N 1 2 326.318 3.840 20 0 EHADLO CCC[C@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343300549 1030166457 /nfs/dbraw/zinc/16/64/57/1030166457.db2.gz OTKIQBFGUIJGGO-HNNXBMFYSA-N 1 2 339.443 3.698 20 0 EHADLO CCCCCNC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121043724 1030168069 /nfs/dbraw/zinc/16/80/69/1030168069.db2.gz JAUPNPHQQFWKHD-AWEZNQCLSA-N 1 2 325.522 3.874 20 0 EHADLO CCCCCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121043724 1030168079 /nfs/dbraw/zinc/16/80/79/1030168079.db2.gz JAUPNPHQQFWKHD-AWEZNQCLSA-N 1 2 325.522 3.874 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)c2ccco2)cc1 ZINC000453406759 1030215514 /nfs/dbraw/zinc/21/55/14/1030215514.db2.gz PLFWXWZMDWNXBP-ORAYPTAESA-N 1 2 325.412 3.770 20 0 EHADLO O=C(Nc1ccc(COc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000091166139 1030236034 /nfs/dbraw/zinc/23/60/34/1030236034.db2.gz ZAISSZXBUCOLDF-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CC(C)[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000121413433 1030250358 /nfs/dbraw/zinc/25/03/58/1030250358.db2.gz WZMMCNAXBBWRES-UXHICEINSA-N 1 2 338.451 3.891 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000525992563 1030283978 /nfs/dbraw/zinc/28/39/78/1030283978.db2.gz WGGNRFJOEXHUKZ-CZUORRHYSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000525992563 1030283992 /nfs/dbraw/zinc/28/39/92/1030283992.db2.gz WGGNRFJOEXHUKZ-CZUORRHYSA-N 1 2 339.863 3.691 20 0 EHADLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1Cl ZINC000121621056 1030308521 /nfs/dbraw/zinc/30/85/21/1030308521.db2.gz FBCCFRYLQOCHFB-OAHLLOKOSA-N 1 2 344.842 3.693 20 0 EHADLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000091815034 1030313725 /nfs/dbraw/zinc/31/37/25/1030313725.db2.gz IGXUXPUCJKCBTK-OAHLLOKOSA-N 1 2 345.414 3.634 20 0 EHADLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000091815034 1030313736 /nfs/dbraw/zinc/31/37/36/1030313736.db2.gz IGXUXPUCJKCBTK-OAHLLOKOSA-N 1 2 345.414 3.634 20 0 EHADLO Cc1nc(CNc2ccccc2OCCn2cc[nH+]c2)sc1C ZINC000892346953 1030325080 /nfs/dbraw/zinc/32/50/80/1030325080.db2.gz OIRKAQTYOFGVHV-UHFFFAOYSA-N 1 2 328.441 3.648 20 0 EHADLO C/C(=C/c1ccccc1)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000091890839 1030329667 /nfs/dbraw/zinc/32/96/67/1030329667.db2.gz GXNQAKMURISYQA-SSZFMOIBSA-N 1 2 325.456 3.513 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)c2ccccc21 ZINC000447665656 1030417126 /nfs/dbraw/zinc/41/71/26/1030417126.db2.gz DTGXYVWHFXVQOG-KRWDZBQOSA-N 1 2 338.455 3.853 20 0 EHADLO CSc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(Cl)cc1Cl ZINC000532122425 1030418938 /nfs/dbraw/zinc/41/89/38/1030418938.db2.gz WHOURWDOQDOQEP-UHFFFAOYSA-N 1 2 342.251 3.609 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCc1cccs1 ZINC000526120499 1030443103 /nfs/dbraw/zinc/44/31/03/1030443103.db2.gz XQZSRHGJQJDPKP-MRXNPFEDSA-N 1 2 337.872 3.708 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)o2)C[C@@]2(CCCOC2)O1 ZINC000482460618 1030443788 /nfs/dbraw/zinc/44/37/88/1030443788.db2.gz YIOAKHKQCUBTBK-OXQOHEQNSA-N 1 2 343.423 3.842 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)o2)C[C@@]2(CCCOC2)O1 ZINC000482460618 1030443798 /nfs/dbraw/zinc/44/37/98/1030443798.db2.gz YIOAKHKQCUBTBK-OXQOHEQNSA-N 1 2 343.423 3.842 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)o2)C[C@]2(CCCOC2)O1 ZINC000482460619 1030444177 /nfs/dbraw/zinc/44/41/77/1030444177.db2.gz YIOAKHKQCUBTBK-UZLBHIALSA-N 1 2 343.423 3.842 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)o2)C[C@]2(CCCOC2)O1 ZINC000482460619 1030444188 /nfs/dbraw/zinc/44/41/88/1030444188.db2.gz YIOAKHKQCUBTBK-UZLBHIALSA-N 1 2 343.423 3.842 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000536102547 1030446309 /nfs/dbraw/zinc/44/63/09/1030446309.db2.gz IZJFPHKCGABOTE-UHFFFAOYSA-N 1 2 331.419 3.833 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000785168562 1030459966 /nfs/dbraw/zinc/45/99/66/1030459966.db2.gz OFSBPLRBUUSAPO-CVEARBPZSA-N 1 2 340.826 3.751 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000785168562 1030459973 /nfs/dbraw/zinc/45/99/73/1030459973.db2.gz OFSBPLRBUUSAPO-CVEARBPZSA-N 1 2 340.826 3.751 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000092538263 1030477386 /nfs/dbraw/zinc/47/73/86/1030477386.db2.gz IKDNEWTZYBYBNG-UHFFFAOYSA-N 1 2 348.796 3.802 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594870 1030490895 /nfs/dbraw/zinc/49/08/95/1030490895.db2.gz KEWUUAXMKQQZBR-KRWDZBQOSA-N 1 2 333.453 3.729 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594870 1030490899 /nfs/dbraw/zinc/49/08/99/1030490899.db2.gz KEWUUAXMKQQZBR-KRWDZBQOSA-N 1 2 333.453 3.729 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)CC[S@]1=O ZINC000482522176 1030496896 /nfs/dbraw/zinc/49/68/96/1030496896.db2.gz HJZSTXAIIPNWDL-HSZRJFAPSA-N 1 2 332.513 3.908 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)CC[S@]1=O ZINC000482522176 1030496906 /nfs/dbraw/zinc/49/69/06/1030496906.db2.gz HJZSTXAIIPNWDL-HSZRJFAPSA-N 1 2 332.513 3.908 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447830580 1030520290 /nfs/dbraw/zinc/52/02/90/1030520290.db2.gz KWERTFUZNLRYBT-ZFRZLUBXSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447830580 1030520299 /nfs/dbraw/zinc/52/02/99/1030520299.db2.gz KWERTFUZNLRYBT-ZFRZLUBXSA-N 1 2 327.827 3.808 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000526970281 1030527720 /nfs/dbraw/zinc/52/77/20/1030527720.db2.gz QBDVUEOOYHACTF-ZDUSSCGKSA-N 1 2 331.218 3.898 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526970281 1030527732 /nfs/dbraw/zinc/52/77/32/1030527732.db2.gz QBDVUEOOYHACTF-ZDUSSCGKSA-N 1 2 331.218 3.898 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851037 1030540421 /nfs/dbraw/zinc/54/04/21/1030540421.db2.gz PYRFEEXOJVCONZ-QWHCGFSZSA-N 1 2 346.418 3.611 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851037 1030540422 /nfs/dbraw/zinc/54/04/22/1030540422.db2.gz PYRFEEXOJVCONZ-QWHCGFSZSA-N 1 2 346.418 3.611 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC[C@H]1C(C)C)C2 ZINC000526995178 1030557281 /nfs/dbraw/zinc/55/72/81/1030557281.db2.gz AJYVNIFJCILJSX-PMPSAXMXSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[C@H]1C(C)C)CC2 ZINC000526995178 1030557284 /nfs/dbraw/zinc/55/72/84/1030557284.db2.gz AJYVNIFJCILJSX-PMPSAXMXSA-N 1 2 331.504 3.969 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842250 1030568218 /nfs/dbraw/zinc/56/82/18/1030568218.db2.gz KDUZLCJNCBDQAX-DYVFJYSZSA-N 1 2 341.455 3.598 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C2CC2)o1 ZINC000129842250 1030568229 /nfs/dbraw/zinc/56/82/29/1030568229.db2.gz KDUZLCJNCBDQAX-DYVFJYSZSA-N 1 2 341.455 3.598 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236198 1030575836 /nfs/dbraw/zinc/57/58/36/1030575836.db2.gz KMTDWCHBHKBDCQ-JXFKEZNVSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093236198 1030575849 /nfs/dbraw/zinc/57/58/49/1030575849.db2.gz KMTDWCHBHKBDCQ-JXFKEZNVSA-N 1 2 325.456 3.588 20 0 EHADLO Clc1cccc(C2=CC[N@H+](Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000668094772 1030602533 /nfs/dbraw/zinc/60/25/33/1030602533.db2.gz SWDOEOWPJDWVMI-UHFFFAOYSA-N 1 2 328.847 3.946 20 0 EHADLO Clc1cccc(C2=CC[N@@H+](Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000668094772 1030602548 /nfs/dbraw/zinc/60/25/48/1030602548.db2.gz SWDOEOWPJDWVMI-UHFFFAOYSA-N 1 2 328.847 3.946 20 0 EHADLO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)o1 ZINC000093480493 1030616825 /nfs/dbraw/zinc/61/68/25/1030616825.db2.gz PFMKHQWROVXVOR-SFHVURJKSA-N 1 2 342.439 3.762 20 0 EHADLO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)o1 ZINC000093480493 1030616830 /nfs/dbraw/zinc/61/68/30/1030616830.db2.gz PFMKHQWROVXVOR-SFHVURJKSA-N 1 2 342.439 3.762 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CC2)c1F ZINC000668101521 1030626417 /nfs/dbraw/zinc/62/64/17/1030626417.db2.gz SYUPNLMQNUYQRQ-KRWDZBQOSA-N 1 2 329.419 3.828 20 0 EHADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CC2)c1F ZINC000668101521 1030626429 /nfs/dbraw/zinc/62/64/29/1030626429.db2.gz SYUPNLMQNUYQRQ-KRWDZBQOSA-N 1 2 329.419 3.828 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)s2)c1 ZINC000194466039 1030638497 /nfs/dbraw/zinc/63/84/97/1030638497.db2.gz QXMLTKIIFIGLFM-MRXNPFEDSA-N 1 2 340.448 3.847 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)s2)c1 ZINC000194466039 1030638511 /nfs/dbraw/zinc/63/85/11/1030638511.db2.gz QXMLTKIIFIGLFM-MRXNPFEDSA-N 1 2 340.448 3.847 20 0 EHADLO CCN(CC)c1ccc(N[C@@H]2CCC[C@@H](c3ccnn3C)C2)c[nH+]1 ZINC000448020887 1030652493 /nfs/dbraw/zinc/65/24/93/1030652493.db2.gz FNYZRVWDPHXLTR-HZPDHXFCSA-N 1 2 327.476 3.800 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3c(C4CC4)cnn3C)C2)c1 ZINC000668108010 1030659192 /nfs/dbraw/zinc/65/91/92/1030659192.db2.gz PQOQTDFUJQUQHO-LJQANCHMSA-N 1 2 331.410 3.816 20 0 EHADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3c(C4CC4)cnn3C)C2)c1 ZINC000668108010 1030659201 /nfs/dbraw/zinc/65/92/01/1030659201.db2.gz PQOQTDFUJQUQHO-LJQANCHMSA-N 1 2 331.410 3.816 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCCC1(C)C ZINC000194166651 1030661007 /nfs/dbraw/zinc/66/10/07/1030661007.db2.gz GOXRQTODOVNZBI-GOSISDBHSA-N 1 2 344.499 3.982 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064554976 1030664119 /nfs/dbraw/zinc/66/41/19/1030664119.db2.gz POLKIWUURLTSOD-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064554976 1030664130 /nfs/dbraw/zinc/66/41/30/1030664130.db2.gz POLKIWUURLTSOD-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cn(-c2ccccc2)nc1C ZINC000093707150 1030664402 /nfs/dbraw/zinc/66/44/02/1030664402.db2.gz PEDKFGRXXKULPV-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cn(-c2ccccc2)nc1C ZINC000093707150 1030664405 /nfs/dbraw/zinc/66/44/05/1030664405.db2.gz PEDKFGRXXKULPV-UHFFFAOYSA-N 1 2 339.439 3.731 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]2)c(OC)c1 ZINC000171106799 1030676362 /nfs/dbraw/zinc/67/63/62/1030676362.db2.gz GZKXZPYSWAUIPT-GOSISDBHSA-N 1 2 337.423 3.917 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]2)c(OC)c1 ZINC000171106799 1030676369 /nfs/dbraw/zinc/67/63/69/1030676369.db2.gz GZKXZPYSWAUIPT-GOSISDBHSA-N 1 2 337.423 3.917 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccs3)no2)cc1F ZINC000170765109 1030701051 /nfs/dbraw/zinc/70/10/51/1030701051.db2.gz OQYUJMKTOZJCPW-SNVBAGLBSA-N 1 2 333.388 3.797 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000482811927 1030725075 /nfs/dbraw/zinc/72/50/75/1030725075.db2.gz VZKGJVIJSDPCKI-JSGCOSHPSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000482811927 1030725091 /nfs/dbraw/zinc/72/50/91/1030725091.db2.gz VZKGJVIJSDPCKI-JSGCOSHPSA-N 1 2 337.769 3.626 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](Cc2ccco2)C(C)C)o1 ZINC000360093019 1030734696 /nfs/dbraw/zinc/73/46/96/1030734696.db2.gz NHWVRXXBYQAKSC-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](Cc2ccco2)C(C)C)o1 ZINC000360093019 1030734711 /nfs/dbraw/zinc/73/47/11/1030734711.db2.gz NHWVRXXBYQAKSC-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CSc3ccccc31)C2 ZINC000527247624 1030736064 /nfs/dbraw/zinc/73/60/64/1030736064.db2.gz JOLVQZAGZVJTHD-WBMJQRKESA-N 1 2 341.480 3.601 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CSc3ccccc31)CC2 ZINC000527247624 1030736077 /nfs/dbraw/zinc/73/60/77/1030736077.db2.gz JOLVQZAGZVJTHD-WBMJQRKESA-N 1 2 341.480 3.601 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476643969 1030760707 /nfs/dbraw/zinc/76/07/07/1030760707.db2.gz QCTADUQESUKEPC-WKCGWZECSA-N 1 2 336.426 3.508 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000476643969 1030760715 /nfs/dbraw/zinc/76/07/15/1030760715.db2.gz QCTADUQESUKEPC-WKCGWZECSA-N 1 2 336.426 3.508 20 0 EHADLO CS[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000476675703 1030794834 /nfs/dbraw/zinc/79/48/34/1030794834.db2.gz VQNIPVLTFRUMOX-DOMZBBRYSA-N 1 2 337.533 3.532 20 0 EHADLO CS[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000476675703 1030794852 /nfs/dbraw/zinc/79/48/52/1030794852.db2.gz VQNIPVLTFRUMOX-DOMZBBRYSA-N 1 2 337.533 3.532 20 0 EHADLO COC[C@H]([NH2+]Cc1ncc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000122960253 1030800248 /nfs/dbraw/zinc/80/02/48/1030800248.db2.gz KXPFJBLYQQPZBA-ZDUSSCGKSA-N 1 2 330.375 3.948 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)[C@H]2CCCO2)cc1 ZINC000172150842 1030840069 /nfs/dbraw/zinc/84/00/69/1030840069.db2.gz AFTIPCWOASSSOB-YLJYHZDGSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO2)cc1 ZINC000172150842 1030840093 /nfs/dbraw/zinc/84/00/93/1030840093.db2.gz AFTIPCWOASSSOB-YLJYHZDGSA-N 1 2 338.455 3.799 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@H](C)c3ccccc3F)CC2)cs1 ZINC000171928357 1030849645 /nfs/dbraw/zinc/84/96/45/1030849645.db2.gz FUDNVMKGUKYZIP-CQSZACIVSA-N 1 2 333.476 3.723 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000172334212 1030869112 /nfs/dbraw/zinc/86/91/12/1030869112.db2.gz BHPZCEYIHAFAKF-SFHVURJKSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000172334212 1030869141 /nfs/dbraw/zinc/86/91/41/1030869141.db2.gz BHPZCEYIHAFAKF-SFHVURJKSA-N 1 2 329.444 3.818 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nnc(C(C)C)o4)C3)[nH]c2c1 ZINC000130832115 1030875496 /nfs/dbraw/zinc/87/54/96/1030875496.db2.gz VUKYDDWTSAQUFN-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nnc(C(C)C)o4)C3)[nH]c2c1 ZINC000130832115 1030875514 /nfs/dbraw/zinc/87/55/14/1030875514.db2.gz VUKYDDWTSAQUFN-AWEZNQCLSA-N 1 2 339.443 3.757 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2csc(-c3ccccn3)n2)c(C)[nH+]1 ZINC000097040270 1030885577 /nfs/dbraw/zinc/88/55/77/1030885577.db2.gz FGTDJZNKBRUMDI-UHFFFAOYSA-N 1 2 338.436 3.707 20 0 EHADLO COc1cc2c(cc1Nc1ccc(-c3[nH]cc[nH+]3)cc1)N(C(C)=O)CC2 ZINC001213090772 1030885562 /nfs/dbraw/zinc/88/55/62/1030885562.db2.gz FSEMDMVHSGHUIF-UHFFFAOYSA-N 1 2 348.406 3.738 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192002 1030910282 /nfs/dbraw/zinc/91/02/82/1030910282.db2.gz RELFUVLBJNJOGD-XUVXKRRUSA-N 1 2 337.467 3.706 20 0 EHADLO C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000527534219 1030953596 /nfs/dbraw/zinc/95/35/96/1030953596.db2.gz FWELWCSANMORHW-IBGZPJMESA-N 1 2 345.874 3.941 20 0 EHADLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC000527534845 1030956660 /nfs/dbraw/zinc/95/66/60/1030956660.db2.gz RFHMETPAAIWFAH-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC000527534845 1030956671 /nfs/dbraw/zinc/95/66/71/1030956671.db2.gz RFHMETPAAIWFAH-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO COCCOCc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1F ZINC000172724799 1030986026 /nfs/dbraw/zinc/98/60/26/1030986026.db2.gz GJMKKEGDLWESKX-UHFFFAOYSA-N 1 2 346.402 3.561 20 0 EHADLO Cc1cc2cc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2[nH]1 ZINC000098033568 1030997677 /nfs/dbraw/zinc/99/76/77/1030997677.db2.gz MLUCQGMRQHJFMQ-UHFFFAOYSA-N 1 2 345.406 3.984 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370987 1031005423 /nfs/dbraw/zinc/00/54/23/1031005423.db2.gz LNAKVNLJTCFXMT-WQGACYEGSA-N 1 2 347.352 3.613 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370987 1031005441 /nfs/dbraw/zinc/00/54/41/1031005441.db2.gz LNAKVNLJTCFXMT-WQGACYEGSA-N 1 2 347.352 3.613 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483172510 1031022003 /nfs/dbraw/zinc/02/20/03/1031022003.db2.gz BAZCBAKMBJOLIW-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000483172510 1031022022 /nfs/dbraw/zinc/02/20/22/1031022022.db2.gz BAZCBAKMBJOLIW-WQGACYEGSA-N 1 2 330.255 3.934 20 0 EHADLO Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000080563654 1031059516 /nfs/dbraw/zinc/05/95/16/1031059516.db2.gz SGOMARLGUOYIGR-AEFFLSMTSA-N 1 2 326.444 3.517 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](CC(F)(F)F)C(C)C)C2 ZINC000476907565 1031064604 /nfs/dbraw/zinc/06/46/04/1031064604.db2.gz GTCVWHLGAVLCID-FZMZJTMJSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(C)C)CC2 ZINC000476907565 1031064618 /nfs/dbraw/zinc/06/46/18/1031064618.db2.gz GTCVWHLGAVLCID-FZMZJTMJSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)CC1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000158107042 1031089286 /nfs/dbraw/zinc/08/92/86/1031089286.db2.gz YTDPWEQDMUHKNU-UHFFFAOYSA-N 1 2 344.503 3.566 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)c(C)s1 ZINC000343491446 1031109309 /nfs/dbraw/zinc/10/93/09/1031109309.db2.gz GCFRMPXUIRBGEH-RVSPLBMKSA-N 1 2 343.496 3.710 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000483337892 1031113669 /nfs/dbraw/zinc/11/36/69/1031113669.db2.gz MOHITBWTPNSAFY-SFHVURJKSA-N 1 2 326.827 3.770 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000483337892 1031113681 /nfs/dbraw/zinc/11/36/81/1031113681.db2.gz MOHITBWTPNSAFY-SFHVURJKSA-N 1 2 326.827 3.770 20 0 EHADLO CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343492712 1031115156 /nfs/dbraw/zinc/11/51/56/1031115156.db2.gz NYJDUFCGLLSMTJ-PMACEKPBSA-N 1 2 347.418 3.557 20 0 EHADLO COc1ccc([C@@H](C[NH+](C)C)NC/C=C/c2ccc(F)cc2)cc1 ZINC000551227561 1031136424 /nfs/dbraw/zinc/13/64/24/1031136424.db2.gz LYLXLAOYZGXNPO-DPZZJQGRSA-N 1 2 328.431 3.740 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000483423747 1031156946 /nfs/dbraw/zinc/15/69/46/1031156946.db2.gz UZOMZJFCDLIKCF-IBGZPJMESA-N 1 2 330.378 3.567 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000483423747 1031156953 /nfs/dbraw/zinc/15/69/53/1031156953.db2.gz UZOMZJFCDLIKCF-IBGZPJMESA-N 1 2 330.378 3.567 20 0 EHADLO CC(F)(F)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527713462 1031171813 /nfs/dbraw/zinc/17/18/13/1031171813.db2.gz SREZIZZQCJKHFT-UHFFFAOYSA-N 1 2 336.205 3.646 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000583943247 1031194945 /nfs/dbraw/zinc/19/49/45/1031194945.db2.gz DCLSRZMLTVAISZ-HNNXBMFYSA-N 1 2 341.499 3.980 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000583943247 1031194949 /nfs/dbraw/zinc/19/49/49/1031194949.db2.gz DCLSRZMLTVAISZ-HNNXBMFYSA-N 1 2 341.499 3.980 20 0 EHADLO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000551304506 1031207678 /nfs/dbraw/zinc/20/76/78/1031207678.db2.gz HJBITUIJTSZIPB-KZNAEPCWSA-N 1 2 346.450 3.607 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCc1ccc(Cl)s1)n1cc[nH+]c1 ZINC000635346249 1031237485 /nfs/dbraw/zinc/23/74/85/1031237485.db2.gz SPQZEDPIGCYWET-ZDUSSCGKSA-N 1 2 325.865 3.544 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000174664457 1031240211 /nfs/dbraw/zinc/24/02/11/1031240211.db2.gz HWXXFVDGTPXODA-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000583965579 1031252764 /nfs/dbraw/zinc/25/27/64/1031252764.db2.gz MTNIOMOPHZUEHG-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000551352514 1031260220 /nfs/dbraw/zinc/26/02/20/1031260220.db2.gz ZYUDDXZDAWPDLM-PKOBYXMFSA-N 1 2 327.472 3.540 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000525678430 1031264309 /nfs/dbraw/zinc/26/43/09/1031264309.db2.gz GNMGQTGMCTWWSE-SFHVURJKSA-N 1 2 347.462 3.909 20 0 EHADLO CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000343533158 1031279532 /nfs/dbraw/zinc/27/95/32/1031279532.db2.gz PXCFLTWCKCXOBU-WOJBJXKFSA-N 1 2 347.418 3.557 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406655 1031309932 /nfs/dbraw/zinc/30/99/32/1031309932.db2.gz JWMHHUNWZHAPFM-OAHLLOKOSA-N 1 2 329.362 3.874 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000116723888 1031321228 /nfs/dbraw/zinc/32/12/28/1031321228.db2.gz AFMHGGYUNNWNJK-UZLBHIALSA-N 1 2 339.483 3.708 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000668267637 1031354640 /nfs/dbraw/zinc/35/46/40/1031354640.db2.gz TXEDWQVREWVSNB-NUJGCVRESA-N 1 2 343.858 3.835 20 0 EHADLO CCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000483845564 1031360906 /nfs/dbraw/zinc/36/09/06/1031360906.db2.gz JAGCEPBRPNCWFL-LJQANCHMSA-N 1 2 346.515 3.946 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175757615 1031374324 /nfs/dbraw/zinc/37/43/24/1031374324.db2.gz XKAXETHQZOIWOZ-OXJNMPFZSA-N 1 2 331.419 3.891 20 0 EHADLO CCN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@H](C)C(C)C ZINC000520831176 1031414202 /nfs/dbraw/zinc/41/42/02/1031414202.db2.gz TZJMNBJITDCWAQ-QGZVFWFLSA-N 1 2 342.487 3.550 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448660474 1031427786 /nfs/dbraw/zinc/42/77/86/1031427786.db2.gz IFWRQIQENWIHOD-RTBURBONSA-N 1 2 325.456 3.764 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000176851786 1031497025 /nfs/dbraw/zinc/49/70/25/1031497025.db2.gz KCYORYJAFWXFIT-HNNXBMFYSA-N 1 2 339.443 3.670 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000176851786 1031497037 /nfs/dbraw/zinc/49/70/37/1031497037.db2.gz KCYORYJAFWXFIT-HNNXBMFYSA-N 1 2 339.443 3.670 20 0 EHADLO COCCC1CC[NH+]([C@H](C)c2ncc(Br)cc2F)CC1 ZINC000527934521 1031499003 /nfs/dbraw/zinc/49/90/03/1031499003.db2.gz JDCXCOVLDVITKA-LLVKDONJSA-N 1 2 345.256 3.793 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(OC)n1 ZINC000177117535 1031512813 /nfs/dbraw/zinc/51/28/13/1031512813.db2.gz CJUNYGAOUAMYMB-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(OC)n1 ZINC000177117535 1031512824 /nfs/dbraw/zinc/51/28/24/1031512824.db2.gz CJUNYGAOUAMYMB-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc2ccccc21 ZINC000083955192 1031539199 /nfs/dbraw/zinc/53/91/99/1031539199.db2.gz QZVKBNIQWNFETO-UHFFFAOYSA-N 1 2 349.415 3.826 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484342409 1031546849 /nfs/dbraw/zinc/54/68/49/1031546849.db2.gz SCIWPSXUXHXIEP-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484342409 1031546863 /nfs/dbraw/zinc/54/68/63/1031546863.db2.gz SCIWPSXUXHXIEP-AWEZNQCLSA-N 1 2 328.378 3.844 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000527999705 1031560468 /nfs/dbraw/zinc/56/04/68/1031560468.db2.gz OQVLMHVINAQDTB-QYZOEREBSA-N 1 2 332.394 3.995 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(Br)c1 ZINC000904000584 1031584021 /nfs/dbraw/zinc/58/40/21/1031584021.db2.gz YKGLTIZDFNJLFA-AWEZNQCLSA-N 1 2 339.277 3.877 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(Br)c1 ZINC000904000584 1031584040 /nfs/dbraw/zinc/58/40/40/1031584040.db2.gz YKGLTIZDFNJLFA-AWEZNQCLSA-N 1 2 339.277 3.877 20 0 EHADLO CCOc1ccc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)cc1 ZINC000477486972 1031587996 /nfs/dbraw/zinc/58/79/96/1031587996.db2.gz UNQNRICLZUKIQD-UHFFFAOYSA-N 1 2 335.407 3.914 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000084232534 1031591265 /nfs/dbraw/zinc/59/12/65/1031591265.db2.gz SDAGJZIDHFZDOM-UHFFFAOYSA-N 1 2 337.345 3.677 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347455658 1031608127 /nfs/dbraw/zinc/60/81/27/1031608127.db2.gz XQAJWOAMKOXRDY-HOTGVXAUSA-N 1 2 343.496 3.555 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC12CCCCC2 ZINC000477495033 1031613071 /nfs/dbraw/zinc/61/30/71/1031613071.db2.gz PGIPCCYQNMZQKL-GOSISDBHSA-N 1 2 337.467 3.561 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)cc1NC(C)=O ZINC000528036028 1031615816 /nfs/dbraw/zinc/61/58/16/1031615816.db2.gz NJZCBSSYFXAHMN-NEPJUHHUSA-N 1 2 331.391 3.600 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Br)cs1 ZINC000177826773 1031623554 /nfs/dbraw/zinc/62/35/54/1031623554.db2.gz FFLZEPPSCAATLB-HNNXBMFYSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Br)cs1 ZINC000177826773 1031623561 /nfs/dbraw/zinc/62/35/61/1031623561.db2.gz FFLZEPPSCAATLB-HNNXBMFYSA-N 1 2 338.270 3.602 20 0 EHADLO Cc1sc(NC(=O)CCn2cc[nH+]c2)nc1-c1cccc(Cl)c1 ZINC000551759540 1031628369 /nfs/dbraw/zinc/62/83/69/1031628369.db2.gz IBDPURMJOGOWBE-UHFFFAOYSA-N 1 2 346.843 3.997 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)c2nnc(-c3ccccc3F)s2)[nH+]1 ZINC000484506126 1031650454 /nfs/dbraw/zinc/65/04/54/1031650454.db2.gz UVKRBLDWODLIMI-SECBINFHSA-N 1 2 347.444 3.708 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178471360 1031666610 /nfs/dbraw/zinc/66/66/10/1031666610.db2.gz TUWMYGGZDXWVKO-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448794946 1031701298 /nfs/dbraw/zinc/70/12/98/1031701298.db2.gz LFXJFXHTRKMLMD-GFCCVEGCSA-N 1 2 343.324 3.606 20 0 EHADLO O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000117591312 1031758869 /nfs/dbraw/zinc/75/88/69/1031758869.db2.gz WCKRVFQYWNIPGF-HNNXBMFYSA-N 1 2 333.391 3.767 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000085863324 1031771922 /nfs/dbraw/zinc/77/19/22/1031771922.db2.gz CSVCIGVDBPPTMT-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OC)nc1 ZINC000085863324 1031771934 /nfs/dbraw/zinc/77/19/34/1031771934.db2.gz CSVCIGVDBPPTMT-SFHVURJKSA-N 1 2 336.439 3.797 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117642271 1031785820 /nfs/dbraw/zinc/78/58/20/1031785820.db2.gz BIYKHCJUABUFFK-UHFFFAOYSA-N 1 2 341.361 3.813 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2cccnc2)n1 ZINC000179848554 1031811921 /nfs/dbraw/zinc/81/19/21/1031811921.db2.gz WWIMIXIUEDJXQQ-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO Cn1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2cccnc2)n1 ZINC000179848554 1031811944 /nfs/dbraw/zinc/81/19/44/1031811944.db2.gz WWIMIXIUEDJXQQ-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000528142843 1031829731 /nfs/dbraw/zinc/82/97/31/1031829731.db2.gz YHMNDYWNGYCNLY-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO CC(C)c1nocc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000528142843 1031829747 /nfs/dbraw/zinc/82/97/47/1031829747.db2.gz YHMNDYWNGYCNLY-GFCCVEGCSA-N 1 2 348.472 3.739 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccn1C1CCCC1 ZINC000180175374 1031864686 /nfs/dbraw/zinc/86/46/86/1031864686.db2.gz OWIKKBWDNJGOPG-UHFFFAOYSA-N 1 2 338.455 3.528 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)ccc1F ZINC000180715072 1031901969 /nfs/dbraw/zinc/90/19/69/1031901969.db2.gz XMRZYPFOCCECHA-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)ccc1F ZINC000180715072 1031901977 /nfs/dbraw/zinc/90/19/77/1031901977.db2.gz XMRZYPFOCCECHA-UHFFFAOYSA-N 1 2 348.443 3.659 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(CC)o1 ZINC000460669963 1031965504 /nfs/dbraw/zinc/96/55/04/1031965504.db2.gz HTKYWPZOROFOFZ-UHFFFAOYSA-N 1 2 327.428 3.652 20 0 EHADLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000537852190 1031979650 /nfs/dbraw/zinc/97/96/50/1031979650.db2.gz WRKBFHRSMWHVKA-ZDUSSCGKSA-N 1 2 339.361 3.885 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000117970086 1031987189 /nfs/dbraw/zinc/98/71/89/1031987189.db2.gz WLKCVGRGEWWXMZ-UHFFFAOYSA-N 1 2 347.418 3.598 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)s1 ZINC000347487218 1031989062 /nfs/dbraw/zinc/98/90/62/1031989062.db2.gz PYHRUSXEGKJMTF-RYUDHWBXSA-N 1 2 337.876 3.645 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1F ZINC000181576873 1032006547 /nfs/dbraw/zinc/00/65/47/1032006547.db2.gz VRKQYTQLOUEYPP-GFCCVEGCSA-N 1 2 328.366 3.611 20 0 EHADLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc(F)cc2)n1 ZINC000449017593 1032034348 /nfs/dbraw/zinc/03/43/48/1032034348.db2.gz KNEXONNRPZWMLT-KRWDZBQOSA-N 1 2 339.418 3.677 20 0 EHADLO Cn1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc(F)cc2)n1 ZINC000449017593 1032034353 /nfs/dbraw/zinc/03/43/53/1032034353.db2.gz KNEXONNRPZWMLT-KRWDZBQOSA-N 1 2 339.418 3.677 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C)cc1OC ZINC000449001730 1032038493 /nfs/dbraw/zinc/03/84/93/1032038493.db2.gz FRXDYWCMUIEWMJ-UHFFFAOYSA-N 1 2 348.393 3.742 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C)cc1OC ZINC000449001730 1032038506 /nfs/dbraw/zinc/03/85/06/1032038506.db2.gz FRXDYWCMUIEWMJ-UHFFFAOYSA-N 1 2 348.393 3.742 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Br)c2ccccc12 ZINC000169100085 1032046124 /nfs/dbraw/zinc/04/61/24/1032046124.db2.gz RQJJDMGZNLJDJA-UHFFFAOYSA-N 1 2 344.212 3.828 20 0 EHADLO COc1ccc(C(=O)c2ccccc2C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000181994339 1032052501 /nfs/dbraw/zinc/05/25/01/1032052501.db2.gz YYMBWWJGAGDOIA-UHFFFAOYSA-N 1 2 346.386 3.882 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c(C)s1 ZINC000603018663 1033312421 /nfs/dbraw/zinc/31/24/21/1033312421.db2.gz KVPVKUHTBXZMBI-AWEZNQCLSA-N 1 2 325.380 3.783 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)n2)ccc1F ZINC000761058036 1033317862 /nfs/dbraw/zinc/31/78/62/1033317862.db2.gz SNABNKAWEVQYFM-LLVKDONJSA-N 1 2 329.297 3.568 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)n2)ccc1F ZINC000761058036 1033317854 /nfs/dbraw/zinc/31/78/54/1033317854.db2.gz SNABNKAWEVQYFM-LLVKDONJSA-N 1 2 329.297 3.568 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000063455831 1033323106 /nfs/dbraw/zinc/32/31/06/1033323106.db2.gz ZZVTWFUVMJAFNJ-UHFFFAOYSA-N 1 2 329.450 3.903 20 0 EHADLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1Cc1cc[nH]n1 ZINC000685477397 1033379824 /nfs/dbraw/zinc/37/98/24/1033379824.db2.gz PJGPPXDRUHNTHT-CHWSQXEVSA-N 1 2 338.377 3.528 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000607900265 1033398292 /nfs/dbraw/zinc/39/82/92/1033398292.db2.gz HPMUCGVZLPWYMC-GOSISDBHSA-N 1 2 339.439 3.705 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000898249444 1033407781 /nfs/dbraw/zinc/40/77/81/1033407781.db2.gz USFRUXZRTVCODH-UHFFFAOYSA-N 1 2 344.459 3.792 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151944645 1033425794 /nfs/dbraw/zinc/42/57/94/1033425794.db2.gz YVMWMXXYBXICNC-MRXNPFEDSA-N 1 2 349.434 3.805 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccccc2OC2CC2)n1 ZINC000898312529 1033449095 /nfs/dbraw/zinc/44/90/95/1033449095.db2.gz HHUSMBJNKGLRSP-UHFFFAOYSA-N 1 2 345.468 3.778 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](c2cccnc2)C(C)C)n1 ZINC000898312506 1033450142 /nfs/dbraw/zinc/45/01/42/1033450142.db2.gz GCVYUXCEJAKPSG-MRXNPFEDSA-N 1 2 346.500 3.758 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000171354534 1033470260 /nfs/dbraw/zinc/47/02/60/1033470260.db2.gz JQEILQQQCVDONL-QGZVFWFLSA-N 1 2 344.846 3.571 20 0 EHADLO C[C@@H](C[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C)c1ccccc1 ZINC000594613270 1033477751 /nfs/dbraw/zinc/47/77/51/1033477751.db2.gz BSMCUDOPOZKMBB-QFBILLFUSA-N 1 2 340.467 3.728 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000594613251 1033477860 /nfs/dbraw/zinc/47/78/60/1033477860.db2.gz BDPCDFKERRAQFZ-SQNIBIBYSA-N 1 2 330.472 3.503 20 0 EHADLO C[C@H](C[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C)c1ccccc1 ZINC000594613268 1033478017 /nfs/dbraw/zinc/47/80/17/1033478017.db2.gz BSMCUDOPOZKMBB-APWZRJJASA-N 1 2 340.467 3.728 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]C1CCC(F)(F)CC1 ZINC000594616140 1033480738 /nfs/dbraw/zinc/48/07/38/1033480738.db2.gz SKAWDYUHAXKYCV-HNNXBMFYSA-N 1 2 340.414 3.502 20 0 EHADLO CC(C)OCc1cc(NC(=O)Nc2ccc3[nH+]ccn3c2)ccc1O ZINC000685530178 1033493554 /nfs/dbraw/zinc/49/35/54/1033493554.db2.gz IPPHVDZNSYGGET-UHFFFAOYSA-N 1 2 340.383 3.609 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000608133571 1033511675 /nfs/dbraw/zinc/51/16/75/1033511675.db2.gz QEPGYVQUKYIAHR-UHFFFAOYSA-N 1 2 345.362 3.514 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000172592778 1033518380 /nfs/dbraw/zinc/51/83/80/1033518380.db2.gz XODCELPWJIPEQA-OAHLLOKOSA-N 1 2 326.465 3.729 20 0 EHADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000172592778 1033518389 /nfs/dbraw/zinc/51/83/89/1033518389.db2.gz XODCELPWJIPEQA-OAHLLOKOSA-N 1 2 326.465 3.729 20 0 EHADLO Cc1ccc(C)c(CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608207609 1033541433 /nfs/dbraw/zinc/54/14/33/1033541433.db2.gz IOBWAZUOUFIDLN-FQEVSTJZSA-N 1 2 347.462 3.680 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000106240295 1033559113 /nfs/dbraw/zinc/55/91/13/1033559113.db2.gz UGLPVRDPJNQUQA-MCIONIFRSA-N 1 2 331.485 3.622 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCc3c(Br)cc(C)cc3C2)o1 ZINC000685574019 1033579633 /nfs/dbraw/zinc/57/96/33/1033579633.db2.gz GUGDMVYVEZXDIJ-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCc3c(Br)cc(C)cc3C2)o1 ZINC000685574019 1033579636 /nfs/dbraw/zinc/57/96/36/1033579636.db2.gz GUGDMVYVEZXDIJ-UHFFFAOYSA-N 1 2 335.245 3.921 20 0 EHADLO COC[C@H]([NH2+]Cc1oc(C)nc1C)c1cccc(C(F)(F)F)c1 ZINC000685571274 1033582060 /nfs/dbraw/zinc/58/20/60/1033582060.db2.gz QUJYCNWMERGGPD-AWEZNQCLSA-N 1 2 328.334 3.788 20 0 EHADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000685609130 1033613333 /nfs/dbraw/zinc/61/33/33/1033613333.db2.gz AOIMDECKWWMNMH-DVOMOZLQSA-N 1 2 338.854 3.778 20 0 EHADLO Cc1csc(C2(NC(=O)Nc3ccc4[nH+]ccn4c3)CCCC2)n1 ZINC000608314026 1033614647 /nfs/dbraw/zinc/61/46/47/1033614647.db2.gz ZTFMUQSMEGJAEQ-UHFFFAOYSA-N 1 2 341.440 3.690 20 0 EHADLO Cc1ccc(CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000045605975 1033648751 /nfs/dbraw/zinc/64/87/51/1033648751.db2.gz LAWXLCIMFXYEPF-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO Cc1ccc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107178292 1033651726 /nfs/dbraw/zinc/65/17/26/1033651726.db2.gz QRSNJWGNUHZFOM-UHFFFAOYSA-N 1 2 341.430 3.840 20 0 EHADLO CC(C)CCOc1ccccc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574881500 1033669330 /nfs/dbraw/zinc/66/93/30/1033669330.db2.gz MSGFEQYDHZFBQK-INIZCTEOSA-N 1 2 329.444 3.576 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)Nc1cccc(F)c1 ZINC000107325443 1033673620 /nfs/dbraw/zinc/67/36/20/1033673620.db2.gz KIPPXRPWIDDPFH-UHFFFAOYSA-N 1 2 342.418 3.923 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000608433717 1033685798 /nfs/dbraw/zinc/68/57/98/1033685798.db2.gz FWRUWEFDFXUHLD-QAPCUYQASA-N 1 2 340.471 3.582 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174037182 1033695745 /nfs/dbraw/zinc/69/57/45/1033695745.db2.gz MYGYJOLPHCOEOP-HXUWFJFHSA-N 1 2 343.492 3.611 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174037182 1033695753 /nfs/dbraw/zinc/69/57/53/1033695753.db2.gz MYGYJOLPHCOEOP-HXUWFJFHSA-N 1 2 343.492 3.611 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc2ccncc2s1 ZINC000657941838 1033701086 /nfs/dbraw/zinc/70/10/86/1033701086.db2.gz LKRDMZRKKFNTKT-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)c1 ZINC000120355155 1033723599 /nfs/dbraw/zinc/72/35/99/1033723599.db2.gz IIZRWPFPFWXVOW-AWEZNQCLSA-N 1 2 345.786 3.636 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)c1 ZINC000120355155 1033723614 /nfs/dbraw/zinc/72/36/14/1033723614.db2.gz IIZRWPFPFWXVOW-AWEZNQCLSA-N 1 2 345.786 3.636 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000608500584 1033732011 /nfs/dbraw/zinc/73/20/11/1033732011.db2.gz VGZKKRRBJVSIDB-LJQANCHMSA-N 1 2 330.859 3.980 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000608500584 1033732027 /nfs/dbraw/zinc/73/20/27/1033732027.db2.gz VGZKKRRBJVSIDB-LJQANCHMSA-N 1 2 330.859 3.980 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000574974931 1033745321 /nfs/dbraw/zinc/74/53/21/1033745321.db2.gz SWFJIXCLCRAOGL-VIFPVBQESA-N 1 2 327.306 3.696 20 0 EHADLO C[C@@H](CC(=O)N(CCc1ccccc1F)C1CCCC1)n1cc[nH+]c1 ZINC000574992487 1033753839 /nfs/dbraw/zinc/75/38/39/1033753839.db2.gz MKHZNEMJXCJBOA-INIZCTEOSA-N 1 2 343.446 3.987 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046341938 1033755823 /nfs/dbraw/zinc/75/58/23/1033755823.db2.gz XIPZOVFDEKKRBX-IAGOWNOFSA-N 1 2 338.451 3.857 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc2cnccc2o1 ZINC000657979769 1033794558 /nfs/dbraw/zinc/79/45/58/1033794558.db2.gz KSNLXOHOEWAYGH-LBPRGKRZSA-N 1 2 329.400 3.982 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450118782 1033798602 /nfs/dbraw/zinc/79/86/02/1033798602.db2.gz BDIWAGXSQVYUFS-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450118782 1033798616 /nfs/dbraw/zinc/79/86/16/1033798616.db2.gz BDIWAGXSQVYUFS-UHFFFAOYSA-N 1 2 325.437 3.573 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC(C2CCCC2)CC1 ZINC000608656839 1033820026 /nfs/dbraw/zinc/82/00/26/1033820026.db2.gz DYFQMXSXKGNUOO-UHFFFAOYSA-N 1 2 341.499 3.614 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000608714205 1033849019 /nfs/dbraw/zinc/84/90/19/1033849019.db2.gz LDHJFOBVSQLMFT-IBGZPJMESA-N 1 2 338.455 3.771 20 0 EHADLO Fc1cccc(F)c1-c1nc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)co1 ZINC001168309189 1033862404 /nfs/dbraw/zinc/86/24/04/1033862404.db2.gz KYSSKUQGQVSWJH-MNOVXSKESA-N 1 2 326.293 3.707 20 0 EHADLO Fc1cccc(F)c1-c1nc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)co1 ZINC001168309189 1033862413 /nfs/dbraw/zinc/86/24/13/1033862413.db2.gz KYSSKUQGQVSWJH-MNOVXSKESA-N 1 2 326.293 3.707 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000476463511 1033885094 /nfs/dbraw/zinc/88/50/94/1033885094.db2.gz WABZFSRJICQWLW-KRWDZBQOSA-N 1 2 329.488 3.773 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944757 1033911132 /nfs/dbraw/zinc/91/11/32/1033911132.db2.gz SRNVZVNGGNUVKP-UHFFFAOYSA-N 1 2 326.444 3.505 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000120544746 1033921420 /nfs/dbraw/zinc/92/14/20/1033921420.db2.gz FWTUQRYSUGLFCG-GOSISDBHSA-N 1 2 326.444 3.553 20 0 EHADLO CCc1nocc1C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612714 1033923162 /nfs/dbraw/zinc/92/31/62/1033923162.db2.gz SYAFHZARYYBETB-KRWDZBQOSA-N 1 2 342.439 3.678 20 0 EHADLO CCc1nocc1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612714 1033923175 /nfs/dbraw/zinc/92/31/75/1033923175.db2.gz SYAFHZARYYBETB-KRWDZBQOSA-N 1 2 342.439 3.678 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000450223631 1033933946 /nfs/dbraw/zinc/93/39/46/1033933946.db2.gz OHXHGBOLLNPLMV-UHFFFAOYSA-N 1 2 338.451 3.610 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785858 1033935875 /nfs/dbraw/zinc/93/58/75/1033935875.db2.gz MSVIVFXJMSASOQ-UHFFFAOYSA-N 1 2 329.787 3.784 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000537603882 1033936347 /nfs/dbraw/zinc/93/63/47/1033936347.db2.gz LXYYSQWDDOJMPZ-KRWDZBQOSA-N 1 2 342.508 3.580 20 0 EHADLO Cc1ccoc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529418419 1033939765 /nfs/dbraw/zinc/93/97/65/1033939765.db2.gz NGNMPMXBDZVYFA-INIZCTEOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccoc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529418419 1033939771 /nfs/dbraw/zinc/93/97/71/1033939771.db2.gz NGNMPMXBDZVYFA-INIZCTEOSA-N 1 2 332.831 3.522 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2occc2Br)c1 ZINC000227364454 1033953312 /nfs/dbraw/zinc/95/33/12/1033953312.db2.gz GBRHOWBWQGYUPR-SNVBAGLBSA-N 1 2 340.217 3.910 20 0 EHADLO CCCNC(=O)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450238752 1033962592 /nfs/dbraw/zinc/96/25/92/1033962592.db2.gz BZGCTKRGDBLYQP-UHFFFAOYSA-N 1 2 349.837 3.770 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)[C@H]2CCCc3ccccc32)cs1 ZINC000603846682 1033968573 /nfs/dbraw/zinc/96/85/73/1033968573.db2.gz KQMPSYAUTYHWLW-INIZCTEOSA-N 1 2 330.453 3.829 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cs1 ZINC000603846682 1033968580 /nfs/dbraw/zinc/96/85/80/1033968580.db2.gz KQMPSYAUTYHWLW-INIZCTEOSA-N 1 2 330.453 3.829 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000595775159 1033994089 /nfs/dbraw/zinc/99/40/89/1033994089.db2.gz MZMDOIRQYYSZHO-IAQYHMDHSA-N 1 2 335.341 3.690 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c[nH+]1 ZINC000529470227 1033996290 /nfs/dbraw/zinc/99/62/90/1033996290.db2.gz ZYUTYFOZQNRPGR-BPQIPLTHSA-N 1 2 326.827 3.554 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450267365 1034013866 /nfs/dbraw/zinc/01/38/66/1034013866.db2.gz AVKXFTAXFQYGKJ-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450267365 1034013881 /nfs/dbraw/zinc/01/38/81/1034013881.db2.gz AVKXFTAXFQYGKJ-UHFFFAOYSA-N 1 2 347.480 3.511 20 0 EHADLO S=c1ncccn1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000171066596 1034030898 /nfs/dbraw/zinc/03/08/98/1034030898.db2.gz ABBRLSHDCGMNQV-UHFFFAOYSA-N 1 2 336.464 3.710 20 0 EHADLO S=c1ncccn1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000171066596 1034030912 /nfs/dbraw/zinc/03/09/12/1034030912.db2.gz ABBRLSHDCGMNQV-UHFFFAOYSA-N 1 2 336.464 3.710 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nccc(OC)c2F)C(C)C)c(F)c1 ZINC000658222101 1034078008 /nfs/dbraw/zinc/07/80/08/1034078008.db2.gz GTBYJQJQCDLRQC-GOSISDBHSA-N 1 2 336.382 3.864 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000599652075 1034086496 /nfs/dbraw/zinc/08/64/96/1034086496.db2.gz DWECVNSEPFKMJM-YWPYICTPSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000599652075 1034086506 /nfs/dbraw/zinc/08/65/06/1034086506.db2.gz DWECVNSEPFKMJM-YWPYICTPSA-N 1 2 343.254 3.552 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c1F ZINC000658228651 1034089240 /nfs/dbraw/zinc/08/92/40/1034089240.db2.gz VIXMSXSJCGTUJB-CYBMUJFWSA-N 1 2 336.794 3.886 20 0 EHADLO COC(=O)C1C[C@H](C)[NH+](Cc2cc(-c3cccs3)on2)[C@@H](C)C1 ZINC000599706566 1034131166 /nfs/dbraw/zinc/13/11/66/1034131166.db2.gz MAKPISHSCBQBNE-RYUDHWBXSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000596249586 1034136147 /nfs/dbraw/zinc/13/61/47/1034136147.db2.gz JTCARAUESQNLRF-STQMWFEESA-N 1 2 330.350 3.720 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000119402002 1034141119 /nfs/dbraw/zinc/14/11/19/1034141119.db2.gz DFEGUISUAYEWTP-MJGOQNOKSA-N 1 2 337.467 3.816 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000119402394 1034141150 /nfs/dbraw/zinc/14/11/50/1034141150.db2.gz DFEGUISUAYEWTP-PKOBYXMFSA-N 1 2 337.467 3.816 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CC(F)(F)C1 ZINC000529544139 1034151293 /nfs/dbraw/zinc/15/12/93/1034151293.db2.gz WMAGBTCIIACRHU-UPJWGTAASA-N 1 2 325.403 3.541 20 0 EHADLO O[C@]1(C(F)(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450348035 1034158955 /nfs/dbraw/zinc/15/89/55/1034158955.db2.gz KPACICXHUSDEEI-CYBMUJFWSA-N 1 2 334.700 3.531 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)CC(C)(C)C ZINC000604034871 1034162574 /nfs/dbraw/zinc/16/25/74/1034162574.db2.gz KHTNPFLGLDHLLZ-SJORKVTESA-N 1 2 331.504 3.749 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[S@](=O)[C@H](C)C3)cc2)c1 ZINC000537618791 1034191686 /nfs/dbraw/zinc/19/16/86/1034191686.db2.gz LNDVPNPOIMNIJT-HXOBKFHXSA-N 1 2 327.493 3.923 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[S@](=O)[C@H](C)C3)cc2)c1 ZINC000537618791 1034191690 /nfs/dbraw/zinc/19/16/90/1034191690.db2.gz LNDVPNPOIMNIJT-HXOBKFHXSA-N 1 2 327.493 3.923 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Br ZINC000529555842 1034195139 /nfs/dbraw/zinc/19/51/39/1034195139.db2.gz HTXJCDTYFYJKGE-ZYHUDNBSSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Br ZINC000529555842 1034195146 /nfs/dbraw/zinc/19/51/46/1034195146.db2.gz HTXJCDTYFYJKGE-ZYHUDNBSSA-N 1 2 347.684 3.623 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000529578369 1034208062 /nfs/dbraw/zinc/20/80/62/1034208062.db2.gz RFSYZGROLVTBRN-NWDGAFQWSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000529578369 1034208076 /nfs/dbraw/zinc/20/80/76/1034208076.db2.gz RFSYZGROLVTBRN-NWDGAFQWSA-N 1 2 330.291 3.900 20 0 EHADLO CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)c1cccnc1 ZINC000529565493 1034215897 /nfs/dbraw/zinc/21/58/97/1034215897.db2.gz FTCRCYULPVDBFZ-ZDUSSCGKSA-N 1 2 327.457 3.522 20 0 EHADLO CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)c1cccnc1 ZINC000529565493 1034215910 /nfs/dbraw/zinc/21/59/10/1034215910.db2.gz FTCRCYULPVDBFZ-ZDUSSCGKSA-N 1 2 327.457 3.522 20 0 EHADLO Fc1ccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000057846872 1034229079 /nfs/dbraw/zinc/22/90/79/1034229079.db2.gz KPDPONMSNAILON-QPJJXVBHSA-N 1 2 340.442 3.536 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1c(O)ccc(Cl)c1F)n2C ZINC000191503150 1034245817 /nfs/dbraw/zinc/24/58/17/1034245817.db2.gz XWKLJJRCXTUNQL-UHFFFAOYSA-N 1 2 333.794 3.670 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1nccc2cc(C(F)(F)F)ccc21 ZINC000450388178 1034247780 /nfs/dbraw/zinc/24/77/80/1034247780.db2.gz HWNGMPNDSDDFST-UHFFFAOYSA-N 1 2 334.345 3.977 20 0 EHADLO O=C(NCC(C1CCC1)C1CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000529612553 1034265090 /nfs/dbraw/zinc/26/50/90/1034265090.db2.gz BTMMOWPUHDETQY-UHFFFAOYSA-N 1 2 337.467 3.878 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+](C)CCc3ccc(Cl)cc3)no2)c1 ZINC000450401088 1034273039 /nfs/dbraw/zinc/27/30/39/1034273039.db2.gz IKRFYNXIIZHRQY-UHFFFAOYSA-N 1 2 342.830 3.768 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+](C)CCc3ccc(Cl)cc3)no2)c1 ZINC000450401088 1034273059 /nfs/dbraw/zinc/27/30/59/1034273059.db2.gz IKRFYNXIIZHRQY-UHFFFAOYSA-N 1 2 342.830 3.768 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000120972229 1034275832 /nfs/dbraw/zinc/27/58/32/1034275832.db2.gz ZFHLZCQEHXDFGK-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1ccccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000120972229 1034275842 /nfs/dbraw/zinc/27/58/42/1034275842.db2.gz ZFHLZCQEHXDFGK-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000120994455 1034283841 /nfs/dbraw/zinc/28/38/41/1034283841.db2.gz BXAULNXXMZDHFQ-AWEZNQCLSA-N 1 2 346.562 3.781 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000120994455 1034283855 /nfs/dbraw/zinc/28/38/55/1034283855.db2.gz BXAULNXXMZDHFQ-AWEZNQCLSA-N 1 2 346.562 3.781 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1)C(C)C ZINC000101861735 1034287665 /nfs/dbraw/zinc/28/76/65/1034287665.db2.gz JNXNCADEWYJSNO-UHFFFAOYSA-N 1 2 340.471 3.595 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1OC ZINC000302597928 1034290003 /nfs/dbraw/zinc/29/00/03/1034290003.db2.gz JANRMLZZMQJVHG-FQEVSTJZSA-N 1 2 340.467 3.737 20 0 EHADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1OC ZINC000302597928 1034290022 /nfs/dbraw/zinc/29/00/22/1034290022.db2.gz JANRMLZZMQJVHG-FQEVSTJZSA-N 1 2 340.467 3.737 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000121777895 1034296445 /nfs/dbraw/zinc/29/64/45/1034296445.db2.gz HEPXOVHOKZZBAV-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000121777895 1034296458 /nfs/dbraw/zinc/29/64/58/1034296458.db2.gz HEPXOVHOKZZBAV-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO CC[N@H+](Cc1cccc(C(C)=O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450416688 1034302869 /nfs/dbraw/zinc/30/28/69/1034302869.db2.gz HJRIQEKMOVDAQQ-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450416688 1034302886 /nfs/dbraw/zinc/30/28/86/1034302886.db2.gz HJRIQEKMOVDAQQ-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(C)s1 ZINC000596595204 1034310558 /nfs/dbraw/zinc/31/05/58/1034310558.db2.gz YODHFCDFAPQYGB-MRXNPFEDSA-N 1 2 330.453 3.821 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c(C)s1 ZINC000596595204 1034310566 /nfs/dbraw/zinc/31/05/66/1034310566.db2.gz YODHFCDFAPQYGB-MRXNPFEDSA-N 1 2 330.453 3.821 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2ccoc2)C2CCCCC2)n1 ZINC000450432277 1034322211 /nfs/dbraw/zinc/32/22/11/1034322211.db2.gz GEJUMRNOYGLLGL-UHFFFAOYSA-N 1 2 334.441 3.858 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2ccoc2)C2CCCCC2)n1 ZINC000450432277 1034322219 /nfs/dbraw/zinc/32/22/19/1034322219.db2.gz GEJUMRNOYGLLGL-UHFFFAOYSA-N 1 2 334.441 3.858 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2scnc2c1 ZINC000171376881 1034346353 /nfs/dbraw/zinc/34/63/53/1034346353.db2.gz LPIQWYPUVPHYQO-UHFFFAOYSA-N 1 2 349.419 3.804 20 0 EHADLO Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c(C)c[nH+]1 ZINC000534300066 1034356027 /nfs/dbraw/zinc/35/60/27/1034356027.db2.gz PTQOVGYRMNUZJF-UHFFFAOYSA-N 1 2 345.830 3.621 20 0 EHADLO Fc1ccc(OCc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000121070813 1034369791 /nfs/dbraw/zinc/36/97/91/1034369791.db2.gz XEMAMZIYWDPWFR-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO C/C(=C\C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1Cl ZINC000171389890 1034371291 /nfs/dbraw/zinc/37/12/91/1034371291.db2.gz IOWQAZAMMNVHKP-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C\C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1Cl ZINC000171389890 1034371307 /nfs/dbraw/zinc/37/13/07/1034371307.db2.gz IOWQAZAMMNVHKP-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ncc(C)s1)CCC2 ZINC000192905449 1034408130 /nfs/dbraw/zinc/40/81/30/1034408130.db2.gz MYGIQMLUNQZBHS-GFCCVEGCSA-N 1 2 334.441 3.697 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372399513 1034421843 /nfs/dbraw/zinc/42/18/43/1034421843.db2.gz MXJCZEUNDACHBJ-LJQANCHMSA-N 1 2 343.471 3.534 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372399513 1034421852 /nfs/dbraw/zinc/42/18/52/1034421852.db2.gz MXJCZEUNDACHBJ-LJQANCHMSA-N 1 2 343.471 3.534 20 0 EHADLO CC(C)CC[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000604596177 1034433183 /nfs/dbraw/zinc/43/31/83/1034433183.db2.gz MRJRXZIPVQBVQJ-QGZVFWFLSA-N 1 2 346.519 3.764 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394143 1034469978 /nfs/dbraw/zinc/46/99/78/1034469978.db2.gz UIPRTLQHCMKAHQ-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394143 1034469987 /nfs/dbraw/zinc/46/99/87/1034469987.db2.gz UIPRTLQHCMKAHQ-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000171608928 1034509133 /nfs/dbraw/zinc/50/91/33/1034509133.db2.gz NTPGZIBETYXBSI-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000171608928 1034509143 /nfs/dbraw/zinc/50/91/43/1034509143.db2.gz NTPGZIBETYXBSI-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121205484 1034553655 /nfs/dbraw/zinc/55/36/55/1034553655.db2.gz MBYYAOOUDQEEEQ-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121205484 1034553665 /nfs/dbraw/zinc/55/36/65/1034553665.db2.gz MBYYAOOUDQEEEQ-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000597172330 1034564388 /nfs/dbraw/zinc/56/43/88/1034564388.db2.gz WTKYDGSAOGBXRA-VIFPVBQESA-N 1 2 343.279 3.984 20 0 EHADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000597172330 1034564391 /nfs/dbraw/zinc/56/43/91/1034564391.db2.gz WTKYDGSAOGBXRA-VIFPVBQESA-N 1 2 343.279 3.984 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccccc2Cl)c1C ZINC000050254217 1034618019 /nfs/dbraw/zinc/61/80/19/1034618019.db2.gz NBAFQWYHUBSEBS-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000534523832 1034628536 /nfs/dbraw/zinc/62/85/36/1034628536.db2.gz PMBWYWLWIQKFAJ-UHFFFAOYSA-N 1 2 346.471 3.509 20 0 EHADLO O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000529824418 1034632430 /nfs/dbraw/zinc/63/24/30/1034632430.db2.gz DHZHKGZWPWRSPD-FQEVSTJZSA-N 1 2 346.434 3.598 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155980 1034655110 /nfs/dbraw/zinc/65/51/10/1034655110.db2.gz FZWJESJVZVASLP-RDTXWAMCSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155980 1034655117 /nfs/dbraw/zinc/65/51/17/1034655117.db2.gz FZWJESJVZVASLP-RDTXWAMCSA-N 1 2 344.455 3.943 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000450666218 1034666726 /nfs/dbraw/zinc/66/67/26/1034666726.db2.gz HXVGZTTTWBEZMO-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c2nccc(C)c2c1 ZINC000670776637 1034695178 /nfs/dbraw/zinc/69/51/78/1034695178.db2.gz ZTSVZPNQVHUWCJ-UHFFFAOYSA-N 1 2 345.446 3.597 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628247976 1034700090 /nfs/dbraw/zinc/70/00/90/1034700090.db2.gz XENFRWKGXDEHQC-AWEZNQCLSA-N 1 2 342.340 3.569 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628247976 1034700096 /nfs/dbraw/zinc/70/00/96/1034700096.db2.gz XENFRWKGXDEHQC-AWEZNQCLSA-N 1 2 342.340 3.569 20 0 EHADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000375847166 1034708753 /nfs/dbraw/zinc/70/87/53/1034708753.db2.gz ALVOCBFOQBJXLI-GVDBMIGSSA-N 1 2 343.471 3.808 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1cccc(F)c1 ZINC000605576676 1034723561 /nfs/dbraw/zinc/72/35/61/1034723561.db2.gz YUHKDEGJAVDFGC-UHFFFAOYSA-N 1 2 330.378 3.783 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(CCOCc3ccccc3)CC2)c[nH+]1 ZINC000456837261 1034779718 /nfs/dbraw/zinc/77/97/18/1034779718.db2.gz KKLOPJMOTNDMSD-UHFFFAOYSA-N 1 2 338.451 3.702 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](C)c2ccc(Br)cc2)c[nH+]1 ZINC000456838132 1034781693 /nfs/dbraw/zinc/78/16/93/1034781693.db2.gz LICKLQUGFFWLAM-CYBMUJFWSA-N 1 2 347.256 3.881 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ncc(-c3ccccc3)o2)c[nH+]1 ZINC000456860438 1034794468 /nfs/dbraw/zinc/79/44/68/1034794468.db2.gz NVEHOEKHNGXIRR-UHFFFAOYSA-N 1 2 335.407 3.602 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529943022 1034803980 /nfs/dbraw/zinc/80/39/80/1034803980.db2.gz KALJDQLMFWRWFC-SUMWQHHRSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529943022 1034803993 /nfs/dbraw/zinc/80/39/93/1034803993.db2.gz KALJDQLMFWRWFC-SUMWQHHRSA-N 1 2 329.419 3.522 20 0 EHADLO CC(=O)c1cccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000450780024 1034806942 /nfs/dbraw/zinc/80/69/42/1034806942.db2.gz XEESKLLVBOTJGV-HNNXBMFYSA-N 1 2 328.481 3.830 20 0 EHADLO CO[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C[C@H]1C ZINC000450779282 1034807157 /nfs/dbraw/zinc/80/71/57/1034807157.db2.gz VXYFNWVGOMNRSF-ABAIWWIYSA-N 1 2 335.245 3.859 20 0 EHADLO COc1ccccc1C[C@@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456855644 1034814326 /nfs/dbraw/zinc/81/43/26/1034814326.db2.gz ZWCJYGUISLILQE-CQSZACIVSA-N 1 2 326.440 3.592 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)ncc1Br ZINC000628277129 1034904254 /nfs/dbraw/zinc/90/42/54/1034904254.db2.gz DKVPVGZKPXRXEF-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ncc1Br ZINC000628277129 1034904258 /nfs/dbraw/zinc/90/42/58/1034904258.db2.gz DKVPVGZKPXRXEF-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649559 1034912130 /nfs/dbraw/zinc/91/21/30/1034912130.db2.gz BNBMTFOILHQQNF-RYUDHWBXSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000279649559 1034912137 /nfs/dbraw/zinc/91/21/37/1034912137.db2.gz BNBMTFOILHQQNF-RYUDHWBXSA-N 1 2 345.270 3.557 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCCC3)[nH+]cn2)c(F)c1 ZINC000450912184 1034931321 /nfs/dbraw/zinc/93/13/21/1034931321.db2.gz MFJWAHKJPGUPFD-MRXNPFEDSA-N 1 2 330.382 3.697 20 0 EHADLO Fc1ccc([C@H]2CCCN2c2cc(N3CCCC3)nc[nH+]2)c(F)c1 ZINC000450912184 1034931327 /nfs/dbraw/zinc/93/13/27/1034931327.db2.gz MFJWAHKJPGUPFD-MRXNPFEDSA-N 1 2 330.382 3.697 20 0 EHADLO C[N@H+](CC1CCCCC1)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530094586 1034944165 /nfs/dbraw/zinc/94/41/65/1034944165.db2.gz FFSJCDREOKVQRR-UHFFFAOYSA-N 1 2 347.409 3.658 20 0 EHADLO C[N@@H+](CC1CCCCC1)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530094586 1034944169 /nfs/dbraw/zinc/94/41/69/1034944169.db2.gz FFSJCDREOKVQRR-UHFFFAOYSA-N 1 2 347.409 3.658 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931094 1034945597 /nfs/dbraw/zinc/94/55/97/1034945597.db2.gz HSAQGVBDMWGPNC-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2Cl)o1 ZINC000375931094 1034945605 /nfs/dbraw/zinc/94/56/05/1034945605.db2.gz HSAQGVBDMWGPNC-XMHCIUCPSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934426 1034951566 /nfs/dbraw/zinc/95/15/66/1034951566.db2.gz WFYMFSRCRBLINJ-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000375934426 1034951569 /nfs/dbraw/zinc/95/15/69/1034951569.db2.gz WFYMFSRCRBLINJ-SPSFWMDKSA-N 1 2 339.407 3.568 20 0 EHADLO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097146 1034959212 /nfs/dbraw/zinc/95/92/12/1034959212.db2.gz GTRXLQBTUVVSGK-ZDUSSCGKSA-N 1 2 335.398 3.514 20 0 EHADLO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097146 1034959224 /nfs/dbraw/zinc/95/92/24/1034959224.db2.gz GTRXLQBTUVVSGK-ZDUSSCGKSA-N 1 2 335.398 3.514 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530099051 1034959807 /nfs/dbraw/zinc/95/98/07/1034959807.db2.gz PAJIVEAVQQVBKD-UONOGXRCSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530099051 1034959817 /nfs/dbraw/zinc/95/98/17/1034959817.db2.gz PAJIVEAVQQVBKD-UONOGXRCSA-N 1 2 347.409 3.657 20 0 EHADLO COc1ccc(C[N@H+](Cn2ccc(C(F)(F)F)n2)C2CC2)cc1 ZINC000065940926 1034978088 /nfs/dbraw/zinc/97/80/88/1034978088.db2.gz MLJSCJSWFCLITE-UHFFFAOYSA-N 1 2 325.334 3.533 20 0 EHADLO COc1ccc(C[N@@H+](Cn2ccc(C(F)(F)F)n2)C2CC2)cc1 ZINC000065940926 1034978093 /nfs/dbraw/zinc/97/80/93/1034978093.db2.gz MLJSCJSWFCLITE-UHFFFAOYSA-N 1 2 325.334 3.533 20 0 EHADLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000612504269 1035004676 /nfs/dbraw/zinc/00/46/76/1035004676.db2.gz AVXFPQWJPCETTE-HNNXBMFYSA-N 1 2 347.418 3.767 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431658824 1035007596 /nfs/dbraw/zinc/00/75/96/1035007596.db2.gz CUPQTCIYGJEQTI-KRWDZBQOSA-N 1 2 347.462 3.914 20 0 EHADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C2CCCC2)cc1 ZINC000685791000 1035133033 /nfs/dbraw/zinc/13/30/33/1035133033.db2.gz WDRCOHDPACXKKQ-LJQANCHMSA-N 1 2 335.451 3.748 20 0 EHADLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449015143 1035261774 /nfs/dbraw/zinc/26/17/74/1035261774.db2.gz SHOPBLVMLIOEKV-LLVKDONJSA-N 1 2 347.311 3.793 20 0 EHADLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449015143 1035261777 /nfs/dbraw/zinc/26/17/77/1035261777.db2.gz SHOPBLVMLIOEKV-LLVKDONJSA-N 1 2 347.311 3.793 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000066155660 1035267977 /nfs/dbraw/zinc/26/79/77/1035267977.db2.gz HDQAMNKQZREJTB-INIZCTEOSA-N 1 2 333.863 3.563 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000066155660 1035267980 /nfs/dbraw/zinc/26/79/80/1035267980.db2.gz HDQAMNKQZREJTB-INIZCTEOSA-N 1 2 333.863 3.563 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nn(CC)nc2C)cc1OCC ZINC000924559459 1035268348 /nfs/dbraw/zinc/26/83/48/1035268348.db2.gz QYSXILWTMYLWBQ-UONOGXRCSA-N 1 2 346.475 3.816 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)CCc1ccc(F)c2c1CCCC2 ZINC001625884276 1035271049 /nfs/dbraw/zinc/27/10/49/1035271049.db2.gz NMAQCCXCMMPXRW-UHFFFAOYSA-N 1 2 326.415 3.710 20 0 EHADLO C[C@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000570480892 1035283063 /nfs/dbraw/zinc/28/30/63/1035283063.db2.gz RWIAOSHYSMZSDJ-MRXNPFEDSA-N 1 2 340.471 3.509 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413994241 1035339000 /nfs/dbraw/zinc/33/90/00/1035339000.db2.gz RRVZOWKETPDWFF-IRXDYDNUSA-N 1 2 335.451 3.626 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000685838826 1035375124 /nfs/dbraw/zinc/37/51/24/1035375124.db2.gz KKTGXXSTKPQKGP-INIZCTEOSA-N 1 2 339.361 3.790 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000685838826 1035375128 /nfs/dbraw/zinc/37/51/28/1035375128.db2.gz KKTGXXSTKPQKGP-INIZCTEOSA-N 1 2 339.361 3.790 20 0 EHADLO COc1ccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1C ZINC000923881182 1035385308 /nfs/dbraw/zinc/38/53/08/1035385308.db2.gz VTHQQVXYHWHKFM-HNNXBMFYSA-N 1 2 326.400 3.886 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636244677 1035387684 /nfs/dbraw/zinc/38/76/84/1035387684.db2.gz YMGCQJCTCIYPES-HZPDHXFCSA-N 1 2 331.847 3.851 20 0 EHADLO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636244677 1035387688 /nfs/dbraw/zinc/38/76/88/1035387688.db2.gz YMGCQJCTCIYPES-HZPDHXFCSA-N 1 2 331.847 3.851 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1cc2n(n1)CCC2 ZINC000414056044 1035412728 /nfs/dbraw/zinc/41/27/28/1035412728.db2.gz DBRFIPMSHYROLV-JTQLQIEISA-N 1 2 338.224 3.582 20 0 EHADLO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000414069924 1035434948 /nfs/dbraw/zinc/43/49/48/1035434948.db2.gz CAPBRYKWNQMGDV-BXUZGUMPSA-N 1 2 346.452 3.667 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)NC(C)(C)C ZINC000414073986 1035447673 /nfs/dbraw/zinc/44/76/73/1035447673.db2.gz MLABZJLHJWNZRF-STQMWFEESA-N 1 2 331.485 3.764 20 0 EHADLO C[C@@H]([NH2+]Cc1sccc1Br)c1cc2n(n1)CCC2 ZINC000414074395 1035448480 /nfs/dbraw/zinc/44/84/80/1035448480.db2.gz GPWUSWRHOCRWAA-SECBINFHSA-N 1 2 326.263 3.504 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccccc2OCc2ccncc2)cs1 ZINC000613271891 1035487351 /nfs/dbraw/zinc/48/73/51/1035487351.db2.gz UMPYXHPTGNILKR-UHFFFAOYSA-N 1 2 325.437 3.715 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000492265684 1035539893 /nfs/dbraw/zinc/53/98/93/1035539893.db2.gz HGOZNGKOJNOMRN-UONOGXRCSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000492265684 1035539904 /nfs/dbraw/zinc/53/99/04/1035539904.db2.gz HGOZNGKOJNOMRN-UONOGXRCSA-N 1 2 338.835 3.716 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(Cl)c1)C2 ZINC000376245775 1035561100 /nfs/dbraw/zinc/56/11/00/1035561100.db2.gz UPZVMDKAEGMKSP-CYBMUJFWSA-N 1 2 331.847 3.608 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(Cl)c1)CC2 ZINC000376245775 1035561114 /nfs/dbraw/zinc/56/11/14/1035561114.db2.gz UPZVMDKAEGMKSP-CYBMUJFWSA-N 1 2 331.847 3.608 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@H](c1cccnc1)C1CC1 ZINC000492286545 1035576751 /nfs/dbraw/zinc/57/67/51/1035576751.db2.gz ITOZKGVHXQOXQV-XFYVYHTKSA-N 1 2 344.418 3.548 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccccc3F)C3CCC3)ccn12 ZINC001127102449 1035578409 /nfs/dbraw/zinc/57/84/09/1035578409.db2.gz FATIXCRMXPNPEO-UHFFFAOYSA-N 1 2 337.398 3.977 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000613335324 1035596718 /nfs/dbraw/zinc/59/67/18/1035596718.db2.gz ABXMTLOUBAXXCP-WOJBJXKFSA-N 1 2 343.430 3.603 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc(O)c1 ZINC000186463528 1035640584 /nfs/dbraw/zinc/64/05/84/1035640584.db2.gz MOHUWLSRTFPFTP-LBPRGKRZSA-N 1 2 342.830 3.692 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459598173 1035650496 /nfs/dbraw/zinc/65/04/96/1035650496.db2.gz VDCMYLIIPMTEGP-HNNXBMFYSA-N 1 2 325.250 3.740 20 0 EHADLO CCC(=O)CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459598173 1035650504 /nfs/dbraw/zinc/65/05/04/1035650504.db2.gz VDCMYLIIPMTEGP-HNNXBMFYSA-N 1 2 325.250 3.740 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000186558620 1035656658 /nfs/dbraw/zinc/65/66/58/1035656658.db2.gz XPKSDARYFVGIOX-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(Cl)c(F)c1 ZINC000464352450 1035731501 /nfs/dbraw/zinc/73/15/01/1035731501.db2.gz CWGNLUBLOFMODF-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457127894 1035763294 /nfs/dbraw/zinc/76/32/94/1035763294.db2.gz QRYNRGMEWYZVCB-WBVHZDCISA-N 1 2 345.874 3.849 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccc(C)nc1C)Cc1cccc(F)c1F ZINC000187103380 1035763263 /nfs/dbraw/zinc/76/32/63/1035763263.db2.gz YHTFNXJEVMHMJB-UHFFFAOYSA-N 1 2 348.393 3.542 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccc(C)nc1C)Cc1cccc(F)c1F ZINC000187103380 1035763276 /nfs/dbraw/zinc/76/32/76/1035763276.db2.gz YHTFNXJEVMHMJB-UHFFFAOYSA-N 1 2 348.393 3.542 20 0 EHADLO Cc1cccc(-c2noc(C[S@@](=O)Cc3ccc(C)[nH+]c3C)n2)c1 ZINC000187144732 1035768564 /nfs/dbraw/zinc/76/85/64/1035768564.db2.gz LIHXGBZQIWNRGD-DEOSSOPVSA-N 1 2 341.436 3.506 20 0 EHADLO CCc1cc(OCC(=O)Nc2cccc(OC)c2)c2ccccc2[nH+]1 ZINC000534907810 1035770486 /nfs/dbraw/zinc/77/04/86/1035770486.db2.gz GKRPVBAVMKKIJY-UHFFFAOYSA-N 1 2 336.391 3.823 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187228094 1035776640 /nfs/dbraw/zinc/77/66/40/1035776640.db2.gz RWGUINXYKDITOJ-VOIUYBSRSA-N 1 2 344.480 3.591 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000588236195 1035834947 /nfs/dbraw/zinc/83/49/47/1035834947.db2.gz LJSDREIBWUKKOC-UHFFFAOYSA-N 1 2 328.456 3.849 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000588236195 1035834964 /nfs/dbraw/zinc/83/49/64/1035834964.db2.gz LJSDREIBWUKKOC-UHFFFAOYSA-N 1 2 328.456 3.849 20 0 EHADLO CN1CCC[C@@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc21 ZINC000571972189 1035854094 /nfs/dbraw/zinc/85/40/94/1035854094.db2.gz ZSFOZAIBMPKTAO-GOSISDBHSA-N 1 2 348.450 3.721 20 0 EHADLO CC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000586283690 1035879996 /nfs/dbraw/zinc/87/99/96/1035879996.db2.gz AAEBRBBTBIOJBC-SFHVURJKSA-N 1 2 349.544 3.934 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613437760 1035885205 /nfs/dbraw/zinc/88/52/05/1035885205.db2.gz AEZZCGSGOFFHQM-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO Cc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)nc(C)c1CC(C)C ZINC000431825982 1035886040 /nfs/dbraw/zinc/88/60/40/1035886040.db2.gz WFXRIMOXEZLPLQ-UHFFFAOYSA-N 1 2 349.482 3.571 20 0 EHADLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1cccc(OC)c1 ZINC000588671103 1035933226 /nfs/dbraw/zinc/93/32/26/1035933226.db2.gz UXYSUMGRHWCZCM-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1cccc(OC)c1 ZINC000588671103 1035933247 /nfs/dbraw/zinc/93/32/47/1035933247.db2.gz UXYSUMGRHWCZCM-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO COc1c(Br)cc(C[NH+]2CCCC2)cc1Br ZINC000535064729 1035948041 /nfs/dbraw/zinc/94/80/41/1035948041.db2.gz ADSYNMRTISFVHE-UHFFFAOYSA-N 1 2 349.066 3.816 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001140791652 1035959199 /nfs/dbraw/zinc/95/91/99/1035959199.db2.gz SNCFYSGVMVSDFT-TXEJJXNPSA-N 1 2 326.209 3.593 20 0 EHADLO Cc1cc(Br)c(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001140791652 1035959212 /nfs/dbraw/zinc/95/92/12/1035959212.db2.gz SNCFYSGVMVSDFT-TXEJJXNPSA-N 1 2 326.209 3.593 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000463910249 1035963990 /nfs/dbraw/zinc/96/39/90/1035963990.db2.gz IXPKAVBDVBJKHI-HIFRSBDPSA-N 1 2 333.501 3.817 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000613465261 1035967559 /nfs/dbraw/zinc/96/75/59/1035967559.db2.gz WYCKDTBCLZCGCZ-ZIAGYGMSSA-N 1 2 332.394 3.835 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000613465261 1035967574 /nfs/dbraw/zinc/96/75/74/1035967574.db2.gz WYCKDTBCLZCGCZ-ZIAGYGMSSA-N 1 2 332.394 3.835 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3OC)C2)cc1 ZINC000541087353 1035972073 /nfs/dbraw/zinc/97/20/73/1035972073.db2.gz PISNTQURUOQZNN-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3OC)C2)cc1 ZINC000541087353 1035972081 /nfs/dbraw/zinc/97/20/81/1035972081.db2.gz PISNTQURUOQZNN-HNNXBMFYSA-N 1 2 338.451 3.643 20 0 EHADLO CCn1c2ccccc2nc1C[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000535068261 1035986893 /nfs/dbraw/zinc/98/68/93/1035986893.db2.gz MFOALHALPUDMLB-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO CCn1c2ccccc2nc1C[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000535068261 1035986907 /nfs/dbraw/zinc/98/69/07/1035986907.db2.gz MFOALHALPUDMLB-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)n1 ZINC000189088776 1036015687 /nfs/dbraw/zinc/01/56/87/1036015687.db2.gz GRMUBNPZPPAUJU-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)n1 ZINC000189088776 1036015707 /nfs/dbraw/zinc/01/57/07/1036015707.db2.gz GRMUBNPZPPAUJU-QGZVFWFLSA-N 1 2 338.386 3.916 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCSc1ccccc1F)[C@H]2C ZINC000189533110 1036083316 /nfs/dbraw/zinc/08/33/16/1036083316.db2.gz GCZFMGZHSHOJKW-ZDUSSCGKSA-N 1 2 334.464 3.710 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCSc1ccccc1F)[C@H]2C ZINC000189533110 1036083338 /nfs/dbraw/zinc/08/33/38/1036083338.db2.gz GCZFMGZHSHOJKW-ZDUSSCGKSA-N 1 2 334.464 3.710 20 0 EHADLO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1F ZINC000572412543 1036083588 /nfs/dbraw/zinc/08/35/88/1036083588.db2.gz NIJHCLFDZTVTQB-NIRWDTKCSA-N 1 2 339.332 3.942 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000457395079 1036085818 /nfs/dbraw/zinc/08/58/18/1036085818.db2.gz XNEXKIQGNHTKGS-QGZVFWFLSA-N 1 2 346.862 3.863 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000492638898 1036102817 /nfs/dbraw/zinc/10/28/17/1036102817.db2.gz FVTBRPASWNTFCB-VURMDHGXSA-N 1 2 331.419 3.913 20 0 EHADLO C[C@H](C1CC1)n1cc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000492658375 1036114577 /nfs/dbraw/zinc/11/45/77/1036114577.db2.gz AGMYCOBCPORBFS-KHSJVXASSA-N 1 2 347.422 3.692 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000666198252 1036132169 /nfs/dbraw/zinc/13/21/69/1036132169.db2.gz CSNDLMQTTSVZAJ-UHFFFAOYSA-N 1 2 339.361 3.526 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000174870795 1036145725 /nfs/dbraw/zinc/14/57/25/1036145725.db2.gz KFXFICWYOTXILU-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000174870795 1036145739 /nfs/dbraw/zinc/14/57/39/1036145739.db2.gz KFXFICWYOTXILU-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@@H](C)c1ccccc1 ZINC000174880629 1036150773 /nfs/dbraw/zinc/15/07/73/1036150773.db2.gz GXLICENMNTYVNL-SJORKVTESA-N 1 2 340.471 3.765 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000457480520 1036152332 /nfs/dbraw/zinc/15/23/32/1036152332.db2.gz JHZWBNJSIOGJPS-VXGBXAGGSA-N 1 2 345.459 3.995 20 0 EHADLO CC[C@H](CC(F)F)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000457480520 1036152340 /nfs/dbraw/zinc/15/23/40/1036152340.db2.gz JHZWBNJSIOGJPS-VXGBXAGGSA-N 1 2 345.459 3.995 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000457482726 1036155653 /nfs/dbraw/zinc/15/56/53/1036155653.db2.gz LOGJCZDDZKDFHO-UHFFFAOYSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1C ZINC000502932809 1036157188 /nfs/dbraw/zinc/15/71/88/1036157188.db2.gz YQUVCJOEQIEPOP-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)c1C ZINC000502932809 1036157194 /nfs/dbraw/zinc/15/71/94/1036157194.db2.gz YQUVCJOEQIEPOP-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000761479064 1036186380 /nfs/dbraw/zinc/18/63/80/1036186380.db2.gz YWHDKMPDAYVFBE-MRXNPFEDSA-N 1 2 345.531 3.910 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2[nH]ccc2C2CC2)c1)[NH+]1CCOCC1 ZINC000457541677 1036238059 /nfs/dbraw/zinc/23/80/59/1036238059.db2.gz QCYAOSPVXCGKNF-AWEZNQCLSA-N 1 2 339.439 3.538 20 0 EHADLO COc1ccnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1OC ZINC000190582553 1036253765 /nfs/dbraw/zinc/25/37/65/1036253765.db2.gz XZQYRKFFVIRTQB-KBXCAEBGSA-N 1 2 344.480 3.777 20 0 EHADLO COc1ccnc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1OC ZINC000190582553 1036253775 /nfs/dbraw/zinc/25/37/75/1036253775.db2.gz XZQYRKFFVIRTQB-KBXCAEBGSA-N 1 2 344.480 3.777 20 0 EHADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccncc1Cl)c1ccccc1 ZINC000175158583 1036260732 /nfs/dbraw/zinc/26/07/32/1036260732.db2.gz BDFUONQKSVWXRG-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl)c1ccccc1 ZINC000175158583 1036260754 /nfs/dbraw/zinc/26/07/54/1036260754.db2.gz BDFUONQKSVWXRG-QGZVFWFLSA-N 1 2 343.858 3.520 20 0 EHADLO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCO2 ZINC000376355918 1036264684 /nfs/dbraw/zinc/26/46/84/1036264684.db2.gz UIVUQUUVYIJMQM-YGRLFVJLSA-N 1 2 333.334 3.520 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000492759627 1036277210 /nfs/dbraw/zinc/27/72/10/1036277210.db2.gz BEVBWEMGOKKWHP-WLMCBFPDSA-N 1 2 341.480 3.700 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000492759624 1036277466 /nfs/dbraw/zinc/27/74/66/1036277466.db2.gz BEVBWEMGOKKWHP-MWWKQMNYSA-N 1 2 341.480 3.700 20 0 EHADLO CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175299729 1036291100 /nfs/dbraw/zinc/29/11/00/1036291100.db2.gz XIRSHMCBBWCAHM-IRXDYDNUSA-N 1 2 329.469 3.666 20 0 EHADLO CC(C)(C)C(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457592067 1036292693 /nfs/dbraw/zinc/29/26/93/1036292693.db2.gz GHTBLNVFJIGLIH-UHFFFAOYSA-N 1 2 332.492 3.696 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccsc3)no2)CC2(CCCC2)O1 ZINC000190957808 1036311236 /nfs/dbraw/zinc/31/12/36/1036311236.db2.gz FWACTTMFZKWSTC-UHFFFAOYSA-N 1 2 333.457 3.722 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccsc3)no2)CC2(CCCC2)O1 ZINC000190957808 1036311247 /nfs/dbraw/zinc/31/12/47/1036311247.db2.gz FWACTTMFZKWSTC-UHFFFAOYSA-N 1 2 333.457 3.722 20 0 EHADLO C[N@H+](Cc1coc(-c2ccccc2)n1)Cc1ccc2c(c1)OCCO2 ZINC000589250027 1036320557 /nfs/dbraw/zinc/32/05/57/1036320557.db2.gz IYDKHYMHQLEECS-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccccc2)n1)Cc1ccc2c(c1)OCCO2 ZINC000589250027 1036320577 /nfs/dbraw/zinc/32/05/77/1036320577.db2.gz IYDKHYMHQLEECS-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO COCCN(C)c1ccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cn1 ZINC000191227412 1036351859 /nfs/dbraw/zinc/35/18/59/1036351859.db2.gz KHIYQZLUXRFVSI-CQSZACIVSA-N 1 2 349.425 3.635 20 0 EHADLO COCCN(C)c1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cn1 ZINC000191227412 1036351873 /nfs/dbraw/zinc/35/18/73/1036351873.db2.gz KHIYQZLUXRFVSI-CQSZACIVSA-N 1 2 349.425 3.635 20 0 EHADLO CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1cccs1 ZINC000175496055 1036387254 /nfs/dbraw/zinc/38/72/54/1036387254.db2.gz IFCAKGMUXVVWIM-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1cccs1 ZINC000175496055 1036387272 /nfs/dbraw/zinc/38/72/72/1036387272.db2.gz IFCAKGMUXVVWIM-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000535383303 1036426473 /nfs/dbraw/zinc/42/64/73/1036426473.db2.gz UFEUHTRHNDYMHX-QGZVFWFLSA-N 1 2 343.414 3.724 20 0 EHADLO CC(C)CCOCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000535383303 1036426491 /nfs/dbraw/zinc/42/64/91/1036426491.db2.gz UFEUHTRHNDYMHX-QGZVFWFLSA-N 1 2 343.414 3.724 20 0 EHADLO Cc1cccc(Cc2cnc(NC(=O)C[NH+]3C4CCC3CC4)s2)c1 ZINC000532915524 1036439653 /nfs/dbraw/zinc/43/96/53/1036439653.db2.gz PQOJVGFZLDUTQZ-UHFFFAOYSA-N 1 2 341.480 3.608 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)nc1 ZINC000572742530 1036478220 /nfs/dbraw/zinc/47/82/20/1036478220.db2.gz AQUJQLSQXBYBLD-INIZCTEOSA-N 1 2 328.378 3.882 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)nc1 ZINC000572742530 1036478227 /nfs/dbraw/zinc/47/82/27/1036478227.db2.gz AQUJQLSQXBYBLD-INIZCTEOSA-N 1 2 328.378 3.882 20 0 EHADLO CCCOc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1OCCC ZINC000192147664 1036478932 /nfs/dbraw/zinc/47/89/32/1036478932.db2.gz BIJYADSPUVHHFW-OAHLLOKOSA-N 1 2 329.444 3.905 20 0 EHADLO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)c1csnn1)CC2 ZINC000414296230 1036510790 /nfs/dbraw/zinc/51/07/90/1036510790.db2.gz GGZSORJDELIGSL-JOYOIKCWSA-N 1 2 338.274 3.947 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cn1 ZINC000541646054 1036526661 /nfs/dbraw/zinc/52/66/61/1036526661.db2.gz UODHXJPESKATKC-CYBMUJFWSA-N 1 2 344.850 3.549 20 0 EHADLO Cc1sc2nc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)nc(N)c2c1C ZINC000541646067 1036526872 /nfs/dbraw/zinc/52/68/72/1036526872.db2.gz VIFSIOPFZFFVQR-LLVKDONJSA-N 1 2 344.488 3.519 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)s1 ZINC000892603024 1036529044 /nfs/dbraw/zinc/52/90/44/1036529044.db2.gz GANHBWVCOXHBOR-UHFFFAOYSA-N 1 2 345.516 3.727 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589602012 1036543875 /nfs/dbraw/zinc/54/38/75/1036543875.db2.gz BDLPEWRAKOWRLV-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000589602012 1036543888 /nfs/dbraw/zinc/54/38/88/1036543888.db2.gz BDLPEWRAKOWRLV-HXUWFJFHSA-N 1 2 329.415 3.895 20 0 EHADLO COc1ccc(C([NH2+]Cc2cc(C)no2)c2ccc(OC)cc2)cc1 ZINC000685904243 1036555212 /nfs/dbraw/zinc/55/52/12/1036555212.db2.gz AFZHUEMGCQWHMP-UHFFFAOYSA-N 1 2 338.407 3.879 20 0 EHADLO COc1ccc(N(Cc2ccccc2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193215776 1036583794 /nfs/dbraw/zinc/58/37/94/1036583794.db2.gz HMZNZDHPHGVFTP-UHFFFAOYSA-N 1 2 349.434 3.595 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175821363 1036587874 /nfs/dbraw/zinc/58/78/74/1036587874.db2.gz DOBWWHKAOIKIRE-NQIIRXRSSA-N 1 2 329.403 3.919 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)NCCn2cc[nH+]c2)c1C ZINC000428782862 1036622736 /nfs/dbraw/zinc/62/27/36/1036622736.db2.gz UPSUUTWNCFJGTP-UHFFFAOYSA-N 1 2 344.459 3.718 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccccc1F)C1CCCC1 ZINC000176534303 1036639274 /nfs/dbraw/zinc/63/92/74/1036639274.db2.gz YEYZJNGRJLEYEB-INIZCTEOSA-N 1 2 325.391 3.846 20 0 EHADLO CCc1ccc(CN(CC(C)C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000648461672 1036642674 /nfs/dbraw/zinc/64/26/74/1036642674.db2.gz SPVLIKABGFFNBY-UHFFFAOYSA-N 1 2 327.472 3.911 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)s1 ZINC000892612737 1036649983 /nfs/dbraw/zinc/64/99/83/1036649983.db2.gz DBVLKRPXDCLFSJ-UHFFFAOYSA-N 1 2 332.473 3.668 20 0 EHADLO CCCc1sc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1CC ZINC000589989097 1036706436 /nfs/dbraw/zinc/70/64/36/1036706436.db2.gz WVLCKCHQZMQOAD-UHFFFAOYSA-N 1 2 330.453 3.561 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000414329492 1036723519 /nfs/dbraw/zinc/72/35/19/1036723519.db2.gz BGAGSWGSPIUUQH-YTQUADARSA-N 1 2 340.471 3.828 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000541870730 1036736556 /nfs/dbraw/zinc/73/65/56/1036736556.db2.gz KULZNTKQAFYJCD-GNISGLHKSA-N 1 2 338.455 3.551 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CCN(C)c4ccccc4C3)n2)cc1 ZINC000590063364 1036745119 /nfs/dbraw/zinc/74/51/19/1036745119.db2.gz LNGZBGUBYZJMOZ-UHFFFAOYSA-N 1 2 348.450 3.751 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CCN(C)c4ccccc4C3)n2)cc1 ZINC000590063364 1036745134 /nfs/dbraw/zinc/74/51/34/1036745134.db2.gz LNGZBGUBYZJMOZ-UHFFFAOYSA-N 1 2 348.450 3.751 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)o1 ZINC000590294592 1036824656 /nfs/dbraw/zinc/82/46/56/1036824656.db2.gz BVUVNRAWTOIQKV-OAHLLOKOSA-N 1 2 340.471 3.609 20 0 EHADLO Cc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)c(N(C)C)[nH+]1 ZINC000162399354 1036889056 /nfs/dbraw/zinc/88/90/56/1036889056.db2.gz ITKZGPGKHNFYTN-UHFFFAOYSA-N 1 2 344.846 3.700 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177636372 1036902191 /nfs/dbraw/zinc/90/21/91/1036902191.db2.gz SRWJYNMAWOFRQF-UONOGXRCSA-N 1 2 330.428 3.805 20 0 EHADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177636372 1036902207 /nfs/dbraw/zinc/90/22/07/1036902207.db2.gz SRWJYNMAWOFRQF-UONOGXRCSA-N 1 2 330.428 3.805 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H](c2ccco2)C1 ZINC000464859719 1036919207 /nfs/dbraw/zinc/91/92/07/1036919207.db2.gz YLMTUEJLLPJSMV-BLLLJJGKSA-N 1 2 334.366 3.970 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H](c2ccco2)C1 ZINC000464859719 1036919218 /nfs/dbraw/zinc/91/92/18/1036919218.db2.gz YLMTUEJLLPJSMV-BLLLJJGKSA-N 1 2 334.366 3.970 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)nnn1-c1ccc(F)cc1 ZINC000177720029 1036921711 /nfs/dbraw/zinc/92/17/11/1036921711.db2.gz MNHNSJWFWIURKU-LLVKDONJSA-N 1 2 346.356 3.844 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@@H]1c1ccccc1 ZINC000177776754 1036932279 /nfs/dbraw/zinc/93/22/79/1036932279.db2.gz CPIZGYVUYVYOPZ-APWZRJJASA-N 1 2 348.450 3.670 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000541981152 1036941922 /nfs/dbraw/zinc/94/19/22/1036941922.db2.gz RIUNSUDLNKKLJA-IBGZPJMESA-N 1 2 338.476 3.866 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)co1 ZINC000660002133 1036987336 /nfs/dbraw/zinc/98/73/36/1036987336.db2.gz JYDKURDTUDKEQW-CYBMUJFWSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)co1 ZINC000660002133 1036987350 /nfs/dbraw/zinc/98/73/50/1036987350.db2.gz JYDKURDTUDKEQW-CYBMUJFWSA-N 1 2 327.211 3.943 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)c2c1 ZINC000376458633 1036990319 /nfs/dbraw/zinc/99/03/19/1036990319.db2.gz AKFWRPRNGFIITF-LJQANCHMSA-N 1 2 349.434 3.738 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590725073 1037004693 /nfs/dbraw/zinc/00/46/93/1037004693.db2.gz BYDKRIDMNXKWQR-IBGZPJMESA-N 1 2 340.471 3.597 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000590727286 1037008326 /nfs/dbraw/zinc/00/83/26/1037008326.db2.gz IXZSCRYITOVCLB-IBGZPJMESA-N 1 2 340.471 3.595 20 0 EHADLO COc1cc(C[N@H+](C)Cc2csc(-c3ccco3)n2)ccc1O ZINC000104195160 1037008655 /nfs/dbraw/zinc/00/86/55/1037008655.db2.gz QGUMOVFWZBPNGK-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2csc(-c3ccco3)n2)ccc1O ZINC000104195160 1037008673 /nfs/dbraw/zinc/00/86/73/1037008673.db2.gz QGUMOVFWZBPNGK-UHFFFAOYSA-N 1 2 330.409 3.749 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)nc1 ZINC000590696246 1037014120 /nfs/dbraw/zinc/01/41/20/1037014120.db2.gz WZFUVRHXYYVEII-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)nc1 ZINC000590696246 1037014131 /nfs/dbraw/zinc/01/41/31/1037014131.db2.gz WZFUVRHXYYVEII-CYBMUJFWSA-N 1 2 328.387 3.517 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590730833 1037032960 /nfs/dbraw/zinc/03/29/60/1037032960.db2.gz NSWLNQUEEBUNPP-KRWDZBQOSA-N 1 2 341.455 3.557 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590729045 1037033012 /nfs/dbraw/zinc/03/30/12/1037033012.db2.gz OHJABQKEMATGRL-LJQANCHMSA-N 1 2 325.456 3.803 20 0 EHADLO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178216762 1037037781 /nfs/dbraw/zinc/03/77/81/1037037781.db2.gz GDWNTJODIUQUDP-OAHLLOKOSA-N 1 2 333.391 3.608 20 0 EHADLO Cc1cc(OCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C(C)C ZINC000590735005 1037038342 /nfs/dbraw/zinc/03/83/42/1037038342.db2.gz ZWTWJNCROFHWDJ-KRWDZBQOSA-N 1 2 341.455 3.557 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nc(C)cs2)cc1 ZINC000053141291 1037048128 /nfs/dbraw/zinc/04/81/28/1037048128.db2.gz IYSYCASHZHZQSE-INIZCTEOSA-N 1 2 345.468 3.626 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nc(C)cs2)cc1 ZINC000053141291 1037048148 /nfs/dbraw/zinc/04/81/48/1037048148.db2.gz IYSYCASHZHZQSE-INIZCTEOSA-N 1 2 345.468 3.626 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000666451512 1037065565 /nfs/dbraw/zinc/06/55/65/1037065565.db2.gz YLZPBJLSKODCQV-RHSMWYFYSA-N 1 2 333.863 3.871 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542096544 1037070846 /nfs/dbraw/zinc/07/08/46/1037070846.db2.gz XYYMDZZAVBVZEJ-YJBOKZPZSA-N 1 2 342.405 3.936 20 0 EHADLO CCCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542096544 1037070866 /nfs/dbraw/zinc/07/08/66/1037070866.db2.gz XYYMDZZAVBVZEJ-YJBOKZPZSA-N 1 2 342.405 3.936 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)s1 ZINC000414372517 1037078755 /nfs/dbraw/zinc/07/87/55/1037078755.db2.gz PLJSCEWWPLWUTM-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)s1 ZINC000414372517 1037078774 /nfs/dbraw/zinc/07/87/74/1037078774.db2.gz PLJSCEWWPLWUTM-UHFFFAOYSA-N 1 2 330.432 3.717 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3CCCc4nc(C)sc43)ccc2[nH+]1 ZINC000780547287 1037082161 /nfs/dbraw/zinc/08/21/61/1037082161.db2.gz PQGXVBDUKHEFAD-AWEZNQCLSA-N 1 2 341.440 3.607 20 0 EHADLO Cc1ccc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000104770935 1037085863 /nfs/dbraw/zinc/08/58/63/1037085863.db2.gz YKLYXQDPAKHEOH-UHFFFAOYSA-N 1 2 336.395 3.915 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000414376251 1037102340 /nfs/dbraw/zinc/10/23/40/1037102340.db2.gz HBRFJRIVBRERME-UHFFFAOYSA-N 1 2 342.443 3.944 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590860067 1037104236 /nfs/dbraw/zinc/10/42/36/1037104236.db2.gz LWQSRDCDTIFWKV-CXAGYDPISA-N 1 2 344.846 3.571 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)(C)c1ccccc1 ZINC000590871219 1037108875 /nfs/dbraw/zinc/10/88/75/1037108875.db2.gz XQPLHOWDWWAUFK-AEFFLSMTSA-N 1 2 340.471 3.596 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)s1 ZINC000414382563 1037168974 /nfs/dbraw/zinc/16/89/74/1037168974.db2.gz PBAIURFKKGVZTE-INIZCTEOSA-N 1 2 349.521 3.921 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)s1 ZINC000414382563 1037168984 /nfs/dbraw/zinc/16/89/84/1037168984.db2.gz PBAIURFKKGVZTE-INIZCTEOSA-N 1 2 349.521 3.921 20 0 EHADLO C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)n1cccc1 ZINC000591095379 1037219856 /nfs/dbraw/zinc/21/98/56/1037219856.db2.gz IXEZBOXEHMFTCH-CQSZACIVSA-N 1 2 332.473 3.520 20 0 EHADLO CCc1cccc2c(C3CCN(C(=O)/C=C/c4[nH]cc[nH+]4)CC3)c[nH]c21 ZINC000493286738 1037219809 /nfs/dbraw/zinc/21/98/09/1037219809.db2.gz BDZFGSUELCMTPG-VOTSOKGWSA-N 1 2 348.450 3.873 20 0 EHADLO Fc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000666574200 1037227718 /nfs/dbraw/zinc/22/77/18/1037227718.db2.gz DDROMKORDCGVLU-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO Fc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000666574200 1037227731 /nfs/dbraw/zinc/22/77/31/1037227731.db2.gz DDROMKORDCGVLU-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO O=C(Cc1ccc(F)c(F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000087217983 1037232869 /nfs/dbraw/zinc/23/28/69/1037232869.db2.gz GFIGTYIZIKIQAW-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)Cn3cc[nH+]c3)sc2c1 ZINC000591135776 1037232773 /nfs/dbraw/zinc/23/27/73/1037232773.db2.gz UZOLPEIEDKGUPD-NSHDSACASA-N 1 2 333.844 3.878 20 0 EHADLO CCc1nnc(C[NH2+][C@H](C)c2cc(Br)cs2)s1 ZINC000290218010 1037241467 /nfs/dbraw/zinc/24/14/67/1037241467.db2.gz QOYWRNBRBFKPRO-SSDOTTSWSA-N 1 2 332.292 3.775 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831468 1037259782 /nfs/dbraw/zinc/25/97/82/1037259782.db2.gz GYHOWLVZMYPNMY-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000539831468 1037259803 /nfs/dbraw/zinc/25/98/03/1037259803.db2.gz GYHOWLVZMYPNMY-NEPJUHHUSA-N 1 2 328.161 3.881 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(O)c1 ZINC000428560994 1037272940 /nfs/dbraw/zinc/27/29/40/1037272940.db2.gz RJFKRYFRARZPBO-LLVKDONJSA-N 1 2 346.793 3.616 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500876 1037281852 /nfs/dbraw/zinc/28/18/52/1037281852.db2.gz IUXOVMFXBYCHOD-CXAGYDPISA-N 1 2 338.386 3.854 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000376500876 1037281868 /nfs/dbraw/zinc/28/18/68/1037281868.db2.gz IUXOVMFXBYCHOD-CXAGYDPISA-N 1 2 338.386 3.854 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000465255456 1037289060 /nfs/dbraw/zinc/28/90/60/1037289060.db2.gz NUGRTEVCJLHUIQ-FCEWJHQRSA-N 1 2 345.487 3.780 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395920 1037320952 /nfs/dbraw/zinc/32/09/52/1037320952.db2.gz LBDSEZZWPBXWKY-GDBMZVCRSA-N 1 2 349.521 3.605 20 0 EHADLO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395920 1037320972 /nfs/dbraw/zinc/32/09/72/1037320972.db2.gz LBDSEZZWPBXWKY-GDBMZVCRSA-N 1 2 349.521 3.605 20 0 EHADLO C[C@H](Nc1cc(CSCCO)cc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000591348067 1037367605 /nfs/dbraw/zinc/36/76/05/1037367605.db2.gz CIWQAKRVKOHWTD-AEGPPILISA-N 1 2 334.510 3.973 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000493488876 1037408812 /nfs/dbraw/zinc/40/88/12/1037408812.db2.gz HPZDGGDTQGJGKC-VURMDHGXSA-N 1 2 347.821 3.684 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cs1)C1CC1 ZINC000088765749 1037412627 /nfs/dbraw/zinc/41/26/27/1037412627.db2.gz JFYINNVJKHDORZ-GFCCVEGCSA-N 1 2 347.459 3.957 20 0 EHADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000532474317 1037425064 /nfs/dbraw/zinc/42/50/64/1037425064.db2.gz NVEZDOQFRKZLSR-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000532474317 1037425075 /nfs/dbraw/zinc/42/50/75/1037425075.db2.gz NVEZDOQFRKZLSR-UHFFFAOYSA-N 1 2 334.341 3.707 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000171040276 1037427258 /nfs/dbraw/zinc/42/72/58/1037427258.db2.gz VXOXKXMEMVOFRJ-UHFFFAOYSA-N 1 2 335.398 3.742 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000028694931 1037459410 /nfs/dbraw/zinc/45/94/10/1037459410.db2.gz AFXSGEMWPHMQDY-UHFFFAOYSA-N 1 2 333.435 3.985 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000760844530 1037522371 /nfs/dbraw/zinc/52/23/71/1037522371.db2.gz UTZWFQQTYSTMKY-ZFWWWQNUSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000760844530 1037522384 /nfs/dbraw/zinc/52/23/84/1037522384.db2.gz UTZWFQQTYSTMKY-ZFWWWQNUSA-N 1 2 349.475 3.677 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000462903947 1037532942 /nfs/dbraw/zinc/53/29/42/1037532942.db2.gz UFMDIGKXQDTVCB-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000462903947 1037532963 /nfs/dbraw/zinc/53/29/63/1037532963.db2.gz UFMDIGKXQDTVCB-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000493651592 1037536068 /nfs/dbraw/zinc/53/60/68/1037536068.db2.gz WEVNGEJZXLIPQI-HJWRWDBZSA-N 1 2 327.403 3.576 20 0 EHADLO COc1ccc2nc(C[N@@H+]3C[C@H](C)C[C@@H]3c3ccccc3F)[nH]c2n1 ZINC000760859033 1037545695 /nfs/dbraw/zinc/54/56/95/1037545695.db2.gz KFCTZIDFANLXSD-MLGOLLRUSA-N 1 2 340.402 3.689 20 0 EHADLO COc1ccc2nc(C[N@H+]3C[C@H](C)C[C@@H]3c3ccccc3F)[nH]c2n1 ZINC000760859033 1037545708 /nfs/dbraw/zinc/54/57/08/1037545708.db2.gz KFCTZIDFANLXSD-MLGOLLRUSA-N 1 2 340.402 3.689 20 0 EHADLO Cc1oc2nc(C[N@H+](Cc3ccco3)C3CCCC3)nc(N)c2c1C ZINC000493674547 1037558857 /nfs/dbraw/zinc/55/88/57/1037558857.db2.gz FEFBKOKBJRTTES-UHFFFAOYSA-N 1 2 340.427 3.960 20 0 EHADLO Cc1oc2nc(C[N@@H+](Cc3ccco3)C3CCCC3)nc(N)c2c1C ZINC000493674547 1037558875 /nfs/dbraw/zinc/55/88/75/1037558875.db2.gz FEFBKOKBJRTTES-UHFFFAOYSA-N 1 2 340.427 3.960 20 0 EHADLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507850 1037593024 /nfs/dbraw/zinc/59/30/24/1037593024.db2.gz RJIFUQKTVQRXPQ-BDAKNGLRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507850 1037593036 /nfs/dbraw/zinc/59/30/36/1037593036.db2.gz RJIFUQKTVQRXPQ-BDAKNGLRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914307606 1037610816 /nfs/dbraw/zinc/61/08/16/1037610816.db2.gz FSXIBNKLOGHPTO-PKOBYXMFSA-N 1 2 340.471 3.641 20 0 EHADLO COC(=O)C[C@@H]1CC[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)[C@H]1C ZINC000463004986 1037633974 /nfs/dbraw/zinc/63/39/74/1037633974.db2.gz BXWFYVPNIWATKI-AXHNFQJDSA-N 1 2 341.455 3.879 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000591824273 1037637278 /nfs/dbraw/zinc/63/72/78/1037637278.db2.gz MOTHAUCLLDPCEF-MRXNPFEDSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463027341 1037658704 /nfs/dbraw/zinc/65/87/04/1037658704.db2.gz DCPORFBBDQHWIZ-RTBURBONSA-N 1 2 332.488 3.836 20 0 EHADLO COCC1(C)CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000540199017 1037694998 /nfs/dbraw/zinc/69/49/98/1037694998.db2.gz OLPXKKYTKFMODH-UHFFFAOYSA-N 1 2 338.879 3.644 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573733426 1037737573 /nfs/dbraw/zinc/73/75/73/1037737573.db2.gz MEXDFXCFZCUIFX-ICSRJNTNSA-N 1 2 339.483 3.949 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463152710 1037823775 /nfs/dbraw/zinc/82/37/75/1037823775.db2.gz PUWBMMDVQWAFFO-CVEARBPZSA-N 1 2 337.533 3.961 20 0 EHADLO Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463158174 1037829012 /nfs/dbraw/zinc/82/90/12/1037829012.db2.gz CSICHLZGTHHSIQ-MRXNPFEDSA-N 1 2 343.496 3.645 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372074 1037836860 /nfs/dbraw/zinc/83/68/60/1037836860.db2.gz DQSSDFJQMPXQSL-YJBOKZPZSA-N 1 2 334.419 3.885 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc2ccccc2o1 ZINC000347372074 1037836878 /nfs/dbraw/zinc/83/68/78/1037836878.db2.gz DQSSDFJQMPXQSL-YJBOKZPZSA-N 1 2 334.419 3.885 20 0 EHADLO COC(=O)c1csc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)n1 ZINC000592182534 1037853753 /nfs/dbraw/zinc/85/37/53/1037853753.db2.gz CQVPIUXOBHBQRS-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000540360122 1037863631 /nfs/dbraw/zinc/86/36/31/1037863631.db2.gz PTKWPQGJDKPKDE-UHFFFAOYSA-N 1 2 327.409 3.586 20 0 EHADLO CCc1nn(C)cc1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000179680341 1037887454 /nfs/dbraw/zinc/88/74/54/1037887454.db2.gz DAKPWGOWLSHLKX-UHFFFAOYSA-N 1 2 340.240 3.516 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000179680341 1037887469 /nfs/dbraw/zinc/88/74/69/1037887469.db2.gz DAKPWGOWLSHLKX-UHFFFAOYSA-N 1 2 340.240 3.516 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119263628 1037891612 /nfs/dbraw/zinc/89/16/12/1037891612.db2.gz ZPXKIGYICGMPOW-MSOLQXFVSA-N 1 2 331.504 3.808 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)s2)C[C@H](C)O1 ZINC000666647066 1037902051 /nfs/dbraw/zinc/90/20/51/1037902051.db2.gz BQWJXUDANYBLPZ-STQMWFEESA-N 1 2 348.443 3.749 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000179903489 1037962924 /nfs/dbraw/zinc/96/29/24/1037962924.db2.gz FYUPUTPHECLUNP-QZTJIDSGSA-N 1 2 332.513 3.999 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000122074232 1037977344 /nfs/dbraw/zinc/97/73/44/1037977344.db2.gz PQMBMVHBJWXORZ-UHFFFAOYSA-N 1 2 341.904 3.642 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000122074232 1037977401 /nfs/dbraw/zinc/97/74/01/1037977401.db2.gz PQMBMVHBJWXORZ-UHFFFAOYSA-N 1 2 341.904 3.642 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1c(F)cccc1Cl ZINC000540477933 1037987395 /nfs/dbraw/zinc/98/73/95/1037987395.db2.gz AFFQETMEIUMKDM-VXGBXAGGSA-N 1 2 338.854 3.919 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1cccs1 ZINC000540470857 1037999768 /nfs/dbraw/zinc/99/97/68/1037999768.db2.gz JQSBBEYULXQQFJ-GJZGRUSLSA-N 1 2 346.471 3.896 20 0 EHADLO COc1ccc([C@@H](C)OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000760975949 1038016948 /nfs/dbraw/zinc/01/69/48/1038016948.db2.gz YMTFGFOPGXUFJG-JKSUJKDBSA-N 1 2 339.435 3.746 20 0 EHADLO COc1ccc([C@@H](C)OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000760975949 1038016965 /nfs/dbraw/zinc/01/69/65/1038016965.db2.gz YMTFGFOPGXUFJG-JKSUJKDBSA-N 1 2 339.435 3.746 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(F)cc2F)s1 ZINC000106875188 1038239287 /nfs/dbraw/zinc/23/92/87/1038239287.db2.gz RXVLKLHHEADBNE-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)s1 ZINC000106875188 1038239298 /nfs/dbraw/zinc/23/92/98/1038239298.db2.gz RXVLKLHHEADBNE-JTQLQIEISA-N 1 2 339.411 3.670 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000124998388 1038262679 /nfs/dbraw/zinc/26/26/79/1038262679.db2.gz CCNYYGSMLDEXDK-WFASDCNBSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000538523488 1038344379 /nfs/dbraw/zinc/34/43/79/1038344379.db2.gz BADZFAIHAAHOGY-HXUWFJFHSA-N 1 2 347.422 3.895 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccc(F)c1 ZINC000378278199 1038369640 /nfs/dbraw/zinc/36/96/40/1038369640.db2.gz UYGZTCHDDSMSGI-UHFFFAOYSA-N 1 2 333.366 3.993 20 0 EHADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)COc1c(Cl)cccc1Cl ZINC000398023213 1038395099 /nfs/dbraw/zinc/39/50/99/1038395099.db2.gz CPNJIZIKGNQATG-SKDRFNHKSA-N 1 2 340.197 3.511 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000461402319 1038399191 /nfs/dbraw/zinc/39/91/91/1038399191.db2.gz PDPLSTWOVQAKBS-UHFFFAOYSA-N 1 2 346.421 3.951 20 0 EHADLO C[C@@](CO)([NH2+]Cc1cc(C2CC2)no1)c1cccc(C(F)(F)F)c1 ZINC000659938712 1038409559 /nfs/dbraw/zinc/40/95/59/1038409559.db2.gz LHSXXCLIVGRHJG-INIZCTEOSA-N 1 2 340.345 3.568 20 0 EHADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000398060345 1038409742 /nfs/dbraw/zinc/40/97/42/1038409742.db2.gz MMJZIPMBRCSCBV-RNCFNFMXSA-N 1 2 340.197 3.511 20 0 EHADLO CC[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H](C)CS(C)(=O)=O ZINC000538731902 1038499244 /nfs/dbraw/zinc/49/92/44/1038499244.db2.gz XLDCWHVZBURUSX-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO CC[N@@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H](C)CS(C)(=O)=O ZINC000538731902 1038499247 /nfs/dbraw/zinc/49/92/47/1038499247.db2.gz XLDCWHVZBURUSX-INIZCTEOSA-N 1 2 347.480 3.734 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cc(C)nc(C)n3)[C@H](C)CO2)c1 ZINC000659957442 1038506806 /nfs/dbraw/zinc/50/68/06/1038506806.db2.gz SCWQGUMMGPVKHU-UZLBHIALSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cc(C)nc(C)n3)[C@H](C)CO2)c1 ZINC000659957442 1038506816 /nfs/dbraw/zinc/50/68/16/1038506816.db2.gz SCWQGUMMGPVKHU-UZLBHIALSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000659962091 1038524334 /nfs/dbraw/zinc/52/43/34/1038524334.db2.gz RNILCMXCLGOBNP-OAHLLOKOSA-N 1 2 344.890 3.626 20 0 EHADLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000659962091 1038524342 /nfs/dbraw/zinc/52/43/42/1038524342.db2.gz RNILCMXCLGOBNP-OAHLLOKOSA-N 1 2 344.890 3.626 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c1C ZINC000728747282 1038595639 /nfs/dbraw/zinc/59/56/39/1038595639.db2.gz IJJSDNIXPXEWFO-HZPDHXFCSA-N 1 2 333.476 3.721 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H]2CC2(C)C)c(C)c1 ZINC000584565711 1038626278 /nfs/dbraw/zinc/62/62/78/1038626278.db2.gz PIPZTCHYULXTDO-ZWKOTPCHSA-N 1 2 340.471 3.681 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)on1 ZINC000659995342 1038649113 /nfs/dbraw/zinc/64/91/13/1038649113.db2.gz BYZNMRLQQNTAJB-CQSZACIVSA-N 1 2 337.217 3.783 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)on1 ZINC000659995342 1038649117 /nfs/dbraw/zinc/64/91/17/1038649117.db2.gz BYZNMRLQQNTAJB-CQSZACIVSA-N 1 2 337.217 3.783 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([S@@](C)=O)cc1 ZINC000893247883 1038693271 /nfs/dbraw/zinc/69/32/71/1038693271.db2.gz IOIRTVDTLCZKTE-PVBMHHQDSA-N 1 2 348.415 3.750 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667205102 1038694000 /nfs/dbraw/zinc/69/40/00/1038694000.db2.gz MZTIHAMSQSTKCF-CGZBRXJRSA-N 1 2 330.476 3.658 20 0 EHADLO Clc1c(Br)cccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655776392 1038702037 /nfs/dbraw/zinc/70/20/37/1038702037.db2.gz IYPPZMXDTNRHIM-GFCCVEGCSA-N 1 2 340.652 3.924 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000378568486 1038728185 /nfs/dbraw/zinc/72/81/85/1038728185.db2.gz XKSKHKZUVANDPR-SJCJKPOMSA-N 1 2 329.425 3.693 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000378568486 1038728189 /nfs/dbraw/zinc/72/81/89/1038728189.db2.gz XKSKHKZUVANDPR-SJCJKPOMSA-N 1 2 329.425 3.693 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000539225212 1038738874 /nfs/dbraw/zinc/73/88/74/1038738874.db2.gz GQIDKDHGDLZRJA-STQMWFEESA-N 1 2 348.393 3.960 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc(C)c1F ZINC000552035030 1038760124 /nfs/dbraw/zinc/76/01/24/1038760124.db2.gz DMANKJDOSMHIHX-QAQDUYKDSA-N 1 2 341.430 3.991 20 0 EHADLO CCC[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCO1 ZINC000552035920 1038779660 /nfs/dbraw/zinc/77/96/60/1038779660.db2.gz OBRDWISZYPOPRJ-XSLAGTTESA-N 1 2 345.487 3.516 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)c2ccccc21 ZINC000378629317 1038780736 /nfs/dbraw/zinc/78/07/36/1038780736.db2.gz UKPOQXKTSATZHA-GOSISDBHSA-N 1 2 336.439 3.574 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@H](C)O[C@@](C)(C(F)F)C3)cc2c1 ZINC000668821761 1038858873 /nfs/dbraw/zinc/85/88/73/1038858873.db2.gz KSZIMTVOQQEPIA-APPDUMDISA-N 1 2 325.355 3.686 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@H](C)O[C@@](C)(C(F)F)C3)cc2c1 ZINC000668821761 1038858897 /nfs/dbraw/zinc/85/88/97/1038858897.db2.gz KSZIMTVOQQEPIA-APPDUMDISA-N 1 2 325.355 3.686 20 0 EHADLO Cc1cnc(Cl)c(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000905405327 1038862600 /nfs/dbraw/zinc/86/26/00/1038862600.db2.gz HHTNPQQFSYXCHZ-OKILXGFUSA-N 1 2 346.862 3.664 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCCCc1ccccc1)c1c(F)cccc1Cl ZINC000539380849 1038874395 /nfs/dbraw/zinc/87/43/95/1038874395.db2.gz XIAJJHTZMXFZAH-CQSZACIVSA-N 1 2 348.849 3.879 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000668825673 1038881268 /nfs/dbraw/zinc/88/12/68/1038881268.db2.gz WUOILLMFOGGCQL-FZKQIMNGSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000668825673 1038881286 /nfs/dbraw/zinc/88/12/86/1038881286.db2.gz WUOILLMFOGGCQL-FZKQIMNGSA-N 1 2 335.398 3.630 20 0 EHADLO Cn1ccc([C@@H]([NH2+]CCOC2CCCCC2)c2ccc(F)cc2)n1 ZINC000539397366 1038897652 /nfs/dbraw/zinc/89/76/52/1038897652.db2.gz LEWSRILAZSOBBH-IBGZPJMESA-N 1 2 331.435 3.588 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000488163790 1038927275 /nfs/dbraw/zinc/92/72/75/1038927275.db2.gz GDCQWNKKEGOFIT-QMMMGPOBSA-N 1 2 335.185 3.701 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000570036164 1038938267 /nfs/dbraw/zinc/93/82/67/1038938267.db2.gz KGHUADMKAFSANH-ZIAGYGMSSA-N 1 2 344.459 3.720 20 0 EHADLO Cc1csc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1Cl ZINC000477844273 1038953039 /nfs/dbraw/zinc/95/30/39/1038953039.db2.gz UMHBKQWVPSWJKB-CQSZACIVSA-N 1 2 334.872 3.839 20 0 EHADLO Cc1csc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1Cl ZINC000477844273 1038953048 /nfs/dbraw/zinc/95/30/48/1038953048.db2.gz UMHBKQWVPSWJKB-CQSZACIVSA-N 1 2 334.872 3.839 20 0 EHADLO Cc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1Cl ZINC000195448438 1038961658 /nfs/dbraw/zinc/96/16/58/1038961658.db2.gz KMNQMOSYSLJDDT-UHFFFAOYSA-N 1 2 345.874 3.864 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000509744364 1038985334 /nfs/dbraw/zinc/98/53/34/1038985334.db2.gz HMLDADUSNNYNPO-GVDBMIGSSA-N 1 2 347.503 3.518 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/Sc1ccccc1 ZINC000760623971 1039003236 /nfs/dbraw/zinc/00/32/36/1039003236.db2.gz UBVLJOUMXFQFSL-LFIBNONCSA-N 1 2 343.496 3.990 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc(Cl)ncc1Br ZINC001139807966 1039043374 /nfs/dbraw/zinc/04/33/74/1039043374.db2.gz PHPDFQYFFNIBOL-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(Cl)ncc1Br ZINC001139807966 1039043384 /nfs/dbraw/zinc/04/33/84/1039043384.db2.gz PHPDFQYFFNIBOL-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000500605291 1039053969 /nfs/dbraw/zinc/05/39/69/1039053969.db2.gz GVVPAGQVWMRPNO-IXDOHACOSA-N 1 2 344.503 3.517 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000337503378 1039057653 /nfs/dbraw/zinc/05/76/53/1039057653.db2.gz FXHKLKVYQDXTJU-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000337503378 1039057676 /nfs/dbraw/zinc/05/76/76/1039057676.db2.gz FXHKLKVYQDXTJU-UHFFFAOYSA-N 1 2 347.724 3.576 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000645785823 1039057810 /nfs/dbraw/zinc/05/78/10/1039057810.db2.gz WDUWFWAOWDAPPL-SFHVURJKSA-N 1 2 330.476 3.589 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000488300430 1039067585 /nfs/dbraw/zinc/06/75/85/1039067585.db2.gz RXIJHGPZLUTSFR-INIZCTEOSA-N 1 2 348.441 3.731 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000488300430 1039067605 /nfs/dbraw/zinc/06/76/05/1039067605.db2.gz RXIJHGPZLUTSFR-INIZCTEOSA-N 1 2 348.441 3.731 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000554217031 1039070868 /nfs/dbraw/zinc/07/08/68/1039070868.db2.gz OLMBLJFRIBNEMC-UHFFFAOYSA-N 1 2 328.431 3.743 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000554217031 1039070885 /nfs/dbraw/zinc/07/08/85/1039070885.db2.gz OLMBLJFRIBNEMC-UHFFFAOYSA-N 1 2 328.431 3.743 20 0 EHADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000910817513 1039093497 /nfs/dbraw/zinc/09/34/97/1039093497.db2.gz LLAUSLFAJCQIQK-LBPRGKRZSA-N 1 2 337.345 3.517 20 0 EHADLO COc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1C ZINC000552230727 1039094325 /nfs/dbraw/zinc/09/43/25/1039094325.db2.gz VUQURKVARLHFGO-QAQDUYKDSA-N 1 2 339.439 3.552 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@H](c2ccccc2)C1 ZINC000644886524 1039118342 /nfs/dbraw/zinc/11/83/42/1039118342.db2.gz RZFYMOGKQWNNDU-NRFANRHFSA-N 1 2 349.478 3.591 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667276038 1039120183 /nfs/dbraw/zinc/12/01/83/1039120183.db2.gz WGCBNXZLWBPBSP-QAPCUYQASA-N 1 2 338.455 3.685 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000660104523 1039137136 /nfs/dbraw/zinc/13/71/36/1039137136.db2.gz UHGSTVRIXJHNNI-INIZCTEOSA-N 1 2 337.341 3.519 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000660104523 1039137142 /nfs/dbraw/zinc/13/71/42/1039137142.db2.gz UHGSTVRIXJHNNI-INIZCTEOSA-N 1 2 337.341 3.519 20 0 EHADLO C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1nccn1-c1ccccc1 ZINC000905850216 1039157371 /nfs/dbraw/zinc/15/73/71/1039157371.db2.gz GIXFNPNPUIBTMQ-INIZCTEOSA-N 1 2 332.451 3.997 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000552330478 1039189183 /nfs/dbraw/zinc/18/91/83/1039189183.db2.gz RIJFKUPZANTSHU-INIZCTEOSA-N 1 2 335.451 3.953 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C(F)(F)F)s1 ZINC000432792430 1039194628 /nfs/dbraw/zinc/19/46/28/1039194628.db2.gz KQZHNQBYTIJSHP-UHFFFAOYSA-N 1 2 329.391 3.932 20 0 EHADLO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2ncnn2CC(F)F)c1 ZINC000488454702 1039202039 /nfs/dbraw/zinc/20/20/39/1039202039.db2.gz ZJZYBUIHAAHMHB-INIZCTEOSA-N 1 2 334.414 3.969 20 0 EHADLO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2ncnn2CC(F)F)c1 ZINC000488454702 1039202054 /nfs/dbraw/zinc/20/20/54/1039202054.db2.gz ZJZYBUIHAAHMHB-INIZCTEOSA-N 1 2 334.414 3.969 20 0 EHADLO CN(C)c1ccc(NCc2ccccc2OCC(F)(F)F)[nH+]c1 ZINC000150914582 1039204633 /nfs/dbraw/zinc/20/46/33/1039204633.db2.gz PAXSTFHJERZEBW-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO COc1cc(CNC(=O)c2c(C)cc(C)[nH+]c2C)ccc1OC(C)C ZINC000906083740 1039281474 /nfs/dbraw/zinc/28/14/74/1039281474.db2.gz VHLCFQMLZOPUSH-UHFFFAOYSA-N 1 2 342.439 3.733 20 0 EHADLO CS[C@H](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000339209537 1039336852 /nfs/dbraw/zinc/33/68/52/1039336852.db2.gz AKCKUJUZFLKXAV-CYBMUJFWSA-N 1 2 329.469 3.967 20 0 EHADLO CC1(C)CC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000667315537 1039348327 /nfs/dbraw/zinc/34/83/27/1039348327.db2.gz AAEFFLHZJWZBJB-MSOLQXFVSA-N 1 2 338.455 3.600 20 0 EHADLO CO[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCC1 ZINC000667649342 1039361104 /nfs/dbraw/zinc/36/11/04/1039361104.db2.gz QOEGZRGGFUSEOM-INIZCTEOSA-N 1 2 333.819 3.669 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000006734287 1039363202 /nfs/dbraw/zinc/36/32/02/1039363202.db2.gz SOUKMAIZVXOWFB-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000006734287 1039363220 /nfs/dbraw/zinc/36/32/20/1039363220.db2.gz SOUKMAIZVXOWFB-UHFFFAOYSA-N 1 2 340.320 3.915 20 0 EHADLO O=C([C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651724 1039385792 /nfs/dbraw/zinc/38/57/92/1039385792.db2.gz GDWXSGAJCJMRJW-MOPGFXCFSA-N 1 2 337.467 3.775 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1OCC(C)C ZINC000485688961 1039404519 /nfs/dbraw/zinc/40/45/19/1039404519.db2.gz ZPSGFAPMMZVOAS-FQEVSTJZSA-N 1 2 333.472 3.731 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1OCC(C)C ZINC000485688961 1039404532 /nfs/dbraw/zinc/40/45/32/1039404532.db2.gz ZPSGFAPMMZVOAS-FQEVSTJZSA-N 1 2 333.472 3.731 20 0 EHADLO Clc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnn3c2CCC3)cc1 ZINC000667653674 1039411786 /nfs/dbraw/zinc/41/17/86/1039411786.db2.gz HORJCDMXEKUESP-KRWDZBQOSA-N 1 2 333.888 3.773 20 0 EHADLO Clc1ccc([C@@H]2CSCC[N@H+]2Cc2cnn3c2CCC3)cc1 ZINC000667653674 1039411798 /nfs/dbraw/zinc/41/17/98/1039411798.db2.gz HORJCDMXEKUESP-KRWDZBQOSA-N 1 2 333.888 3.773 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692889 1039412564 /nfs/dbraw/zinc/41/25/64/1039412564.db2.gz MPGMQSGURBGZLW-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000485692889 1039412575 /nfs/dbraw/zinc/41/25/75/1039412575.db2.gz MPGMQSGURBGZLW-SJORKVTESA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543509 1039461393 /nfs/dbraw/zinc/46/13/93/1039461393.db2.gz HAYCLOOKXMLRSB-HYVNUMGLSA-N 1 2 339.443 3.511 20 0 EHADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000614076429 1039479740 /nfs/dbraw/zinc/47/97/40/1039479740.db2.gz MLNWBFZJPFLLDB-ZWKOPEQDSA-N 1 2 338.238 3.708 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000584689232 1039511500 /nfs/dbraw/zinc/51/15/00/1039511500.db2.gz DRGZSBCABGNZNR-AEFFLSMTSA-N 1 2 347.409 3.540 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1[C@H]1CCCO1 ZINC000584689232 1039511511 /nfs/dbraw/zinc/51/15/11/1039511511.db2.gz DRGZSBCABGNZNR-AEFFLSMTSA-N 1 2 347.409 3.540 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000554602256 1039527101 /nfs/dbraw/zinc/52/71/01/1039527101.db2.gz MCRJCFPTJZQPDG-BRWVUGGUSA-N 1 2 344.503 3.687 20 0 EHADLO CC(=O)Nc1ccc(CNc2[nH+]cccc2OCc2ccccc2)cn1 ZINC000432848242 1039529814 /nfs/dbraw/zinc/52/98/14/1039529814.db2.gz ZERLWUMPEVPJHR-UHFFFAOYSA-N 1 2 348.406 3.626 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cn3ccsc3n2)c1 ZINC000364052474 1039542800 /nfs/dbraw/zinc/54/28/00/1039542800.db2.gz CXOLNNNBBHLCMK-INIZCTEOSA-N 1 2 343.452 3.750 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cn3ccsc3n2)c1 ZINC000364052474 1039542812 /nfs/dbraw/zinc/54/28/12/1039542812.db2.gz CXOLNNNBBHLCMK-INIZCTEOSA-N 1 2 343.452 3.750 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000906412975 1039549008 /nfs/dbraw/zinc/54/90/08/1039549008.db2.gz XIPZSLNZLXCQNV-UYAOXDASSA-N 1 2 338.451 3.905 20 0 EHADLO CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1(C)C ZINC001126841547 1039591201 /nfs/dbraw/zinc/59/12/01/1039591201.db2.gz ANJAQCGZYNKWFL-IRXDYDNUSA-N 1 2 343.471 3.699 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3ccsc3)cn2c1 ZINC000912008144 1039618865 /nfs/dbraw/zinc/61/88/65/1039618865.db2.gz TZBMGYDBPJANBV-UHFFFAOYSA-N 1 2 331.466 3.600 20 0 EHADLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000417265862 1039622608 /nfs/dbraw/zinc/62/26/08/1039622608.db2.gz VNESCXQNSKUSEL-SFHVURJKSA-N 1 2 335.407 3.797 20 0 EHADLO CC[N@H+]1CCO[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000417265862 1039622617 /nfs/dbraw/zinc/62/26/17/1039622617.db2.gz VNESCXQNSKUSEL-SFHVURJKSA-N 1 2 335.407 3.797 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000279955232 1039651385 /nfs/dbraw/zinc/65/13/85/1039651385.db2.gz PHTPJCLWWRXUAU-WBMJQRKESA-N 1 2 344.846 3.532 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485877106 1039655357 /nfs/dbraw/zinc/65/53/57/1039655357.db2.gz UMHXHMCPHUMKJT-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485877106 1039655368 /nfs/dbraw/zinc/65/53/68/1039655368.db2.gz UMHXHMCPHUMKJT-UHFFFAOYSA-N 1 2 338.451 3.699 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1nc2ccccc2cc1C1CC1 ZINC000906675546 1039699916 /nfs/dbraw/zinc/69/99/16/1039699916.db2.gz CQZOBOVFNFHCJL-UHFFFAOYSA-N 1 2 334.423 3.519 20 0 EHADLO Cc1cc2scc(CC(=O)NCC(C)(C)n3cc[nH+]c3)c2s1 ZINC000898912006 1039703739 /nfs/dbraw/zinc/70/37/39/1039703739.db2.gz CDQGQTILDHSVNT-UHFFFAOYSA-N 1 2 333.482 3.562 20 0 EHADLO COc1cc(F)c([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC000906701397 1039706181 /nfs/dbraw/zinc/70/61/81/1039706181.db2.gz JTKBXDDOMHJRLA-GFCCVEGCSA-N 1 2 346.402 3.654 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccccc2-c2cnn(C)c2)c(C)[nH+]1 ZINC000584763780 1039745518 /nfs/dbraw/zinc/74/55/18/1039745518.db2.gz ZRUSUZXFEQLYPO-UHFFFAOYSA-N 1 2 349.438 3.729 20 0 EHADLO Cc1cc(C)n(-c2ccccc2CNC(=O)c2c(C)cc(C)[nH+]c2C)n1 ZINC000906998787 1039875598 /nfs/dbraw/zinc/87/55/98/1039875598.db2.gz IVECAMFLBCCKGA-UHFFFAOYSA-N 1 2 348.450 3.739 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c(C)[nH+]1 ZINC000907020854 1039885726 /nfs/dbraw/zinc/88/57/26/1039885726.db2.gz RWEBACLGJZFYRR-ZDUSSCGKSA-N 1 2 328.387 3.537 20 0 EHADLO Cc1csc(Sc2ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc2)n1 ZINC000912487230 1039917615 /nfs/dbraw/zinc/91/76/15/1039917615.db2.gz HPLCHZHTTNUDGK-NSHDSACASA-N 1 2 343.424 3.524 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000293065558 1039922929 /nfs/dbraw/zinc/92/29/29/1039922929.db2.gz ZGRGJDAXJCGONH-SNVBAGLBSA-N 1 2 340.290 3.755 20 0 EHADLO CC(C)c1c[nH]c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000893987408 1039940220 /nfs/dbraw/zinc/94/02/20/1039940220.db2.gz KBKVXLCDXNSANT-UHFFFAOYSA-N 1 2 344.434 3.523 20 0 EHADLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000364160110 1040035367 /nfs/dbraw/zinc/03/53/67/1040035367.db2.gz ZLCQXGPOZOAYKE-OAHLLOKOSA-N 1 2 338.810 3.875 20 0 EHADLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000364160110 1040035385 /nfs/dbraw/zinc/03/53/85/1040035385.db2.gz ZLCQXGPOZOAYKE-OAHLLOKOSA-N 1 2 338.810 3.875 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614576 1040038410 /nfs/dbraw/zinc/03/84/10/1040038410.db2.gz BMZPAHVQASEQQI-UHFFFAOYSA-N 1 2 333.863 3.657 20 0 EHADLO CC(C)CSCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000473032369 1040059460 /nfs/dbraw/zinc/05/94/60/1040059460.db2.gz DOGVXURARJJVMP-GOSISDBHSA-N 1 2 335.513 3.740 20 0 EHADLO CC(C)CSCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000473032369 1040059469 /nfs/dbraw/zinc/05/94/69/1040059469.db2.gz DOGVXURARJJVMP-GOSISDBHSA-N 1 2 335.513 3.740 20 0 EHADLO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000479280263 1040089539 /nfs/dbraw/zinc/08/95/39/1040089539.db2.gz BQWLOCQRJVGRNS-VXGBXAGGSA-N 1 2 342.277 3.700 20 0 EHADLO CC(C)C[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000486380938 1040099553 /nfs/dbraw/zinc/09/95/53/1040099553.db2.gz WLSJAHZRVFDYET-SFHVURJKSA-N 1 2 343.471 3.718 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000553464617 1040102640 /nfs/dbraw/zinc/10/26/40/1040102640.db2.gz IYLZBSAPHHMYJN-HNNXBMFYSA-N 1 2 342.183 3.551 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1c2ccccc2-c2ccccc21 ZINC000553497402 1040110626 /nfs/dbraw/zinc/11/06/26/1040110626.db2.gz PBICZHAKUSKKGN-OAHLLOKOSA-N 1 2 343.430 3.674 20 0 EHADLO CO[C@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)c1ccccc1 ZINC000555054826 1040111546 /nfs/dbraw/zinc/11/15/46/1040111546.db2.gz SMRSGGUISSSXJW-CRAIPNDOSA-N 1 2 337.423 3.699 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(Br)c(F)cc1F ZINC000907640988 1040113563 /nfs/dbraw/zinc/11/35/63/1040113563.db2.gz RKTVXTFGQQENKH-LBPRGKRZSA-N 1 2 347.203 3.539 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(Br)c(F)cc1F ZINC000907640988 1040113570 /nfs/dbraw/zinc/11/35/70/1040113570.db2.gz RKTVXTFGQQENKH-LBPRGKRZSA-N 1 2 347.203 3.539 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cnc3c(F)cccc3c2)[C@@H](c2ccccc2)C1 ZINC000429841453 1040160433 /nfs/dbraw/zinc/16/04/33/1040160433.db2.gz QNNDKYVCRFIQNP-LJQANCHMSA-N 1 2 349.409 3.503 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cnc3c(F)cccc3c2)[C@@H](c2ccccc2)C1 ZINC000429841453 1040160442 /nfs/dbraw/zinc/16/04/42/1040160442.db2.gz QNNDKYVCRFIQNP-LJQANCHMSA-N 1 2 349.409 3.503 20 0 EHADLO Cc1cc2[nH]c(C[NH2+][C@H](CO)c3c(F)cccc3F)cc2c(C)c1 ZINC000479377979 1040179323 /nfs/dbraw/zinc/17/93/23/1040179323.db2.gz LQDNXUXGLCSIAK-GOSISDBHSA-N 1 2 330.378 3.886 20 0 EHADLO CC(=O)N[C@H](C)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432924508 1040190173 /nfs/dbraw/zinc/19/01/73/1040190173.db2.gz MEQGZFDQLIFOKA-SECBINFHSA-N 1 2 335.300 3.792 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)oc1C ZINC000432924983 1040190897 /nfs/dbraw/zinc/19/08/97/1040190897.db2.gz PORJYEDFYVKXIN-BIENJYKASA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)oc1C ZINC000432924983 1040190906 /nfs/dbraw/zinc/19/09/06/1040190906.db2.gz PORJYEDFYVKXIN-BIENJYKASA-N 1 2 343.423 3.898 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCC3CCOCC3)CCO2)cc1Cl ZINC000432937285 1040220551 /nfs/dbraw/zinc/22/05/51/1040220551.db2.gz KBROPPLKAPOJCP-QGZVFWFLSA-N 1 2 327.827 3.669 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCC3CCOCC3)CCO2)cc1Cl ZINC000432937285 1040220561 /nfs/dbraw/zinc/22/05/61/1040220561.db2.gz KBROPPLKAPOJCP-QGZVFWFLSA-N 1 2 327.827 3.669 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1sccc1C(C)=O)c1ccccc1 ZINC000410901332 1040238348 /nfs/dbraw/zinc/23/83/48/1040238348.db2.gz UFPSWRZEVTXONH-INIZCTEOSA-N 1 2 330.453 3.972 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C2CC2)o1 ZINC000051968120 1040247574 /nfs/dbraw/zinc/24/75/74/1040247574.db2.gz BRTBBNSCCGNXNM-UHFFFAOYSA-N 1 2 338.451 3.744 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C2CC2)o1 ZINC000051968120 1040247597 /nfs/dbraw/zinc/24/75/97/1040247597.db2.gz BRTBBNSCCGNXNM-UHFFFAOYSA-N 1 2 338.451 3.744 20 0 EHADLO CSc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000660288042 1040250685 /nfs/dbraw/zinc/25/06/85/1040250685.db2.gz GBZMDUVTDCKLRJ-AWEZNQCLSA-N 1 2 333.526 3.744 20 0 EHADLO CSc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000660288044 1040250948 /nfs/dbraw/zinc/25/09/48/1040250948.db2.gz GBZMDUVTDCKLRJ-CQSZACIVSA-N 1 2 333.526 3.744 20 0 EHADLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cnn2c1CCC2 ZINC000667499383 1040271054 /nfs/dbraw/zinc/27/10/54/1040271054.db2.gz IPJISIDSVCEBOD-GFCCVEGCSA-N 1 2 334.261 3.785 20 0 EHADLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667499383 1040271069 /nfs/dbraw/zinc/27/10/69/1040271069.db2.gz IPJISIDSVCEBOD-GFCCVEGCSA-N 1 2 334.261 3.785 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1F ZINC000512618433 1040295882 /nfs/dbraw/zinc/29/58/82/1040295882.db2.gz RVLCZWIGVILQGP-JTQLQIEISA-N 1 2 325.305 3.938 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2ccsc2n1 ZINC000490049026 1040320336 /nfs/dbraw/zinc/32/03/36/1040320336.db2.gz VEXYKWXUXWFYIH-OAHLLOKOSA-N 1 2 335.860 3.869 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000490049026 1040320354 /nfs/dbraw/zinc/32/03/54/1040320354.db2.gz VEXYKWXUXWFYIH-OAHLLOKOSA-N 1 2 335.860 3.869 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](CCOC)[C@@H]3CCOC3)cs2)cc1 ZINC000490057076 1040326909 /nfs/dbraw/zinc/32/69/09/1040326909.db2.gz SOQKPAYYJJSHDA-GOSISDBHSA-N 1 2 346.496 3.610 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](CCOC)[C@@H]3CCOC3)cs2)cc1 ZINC000490057076 1040326922 /nfs/dbraw/zinc/32/69/22/1040326922.db2.gz SOQKPAYYJJSHDA-GOSISDBHSA-N 1 2 346.496 3.610 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)Cc1ccsc1 ZINC000152919972 1040330406 /nfs/dbraw/zinc/33/04/06/1040330406.db2.gz QSKQYVNVFZTALZ-JTQLQIEISA-N 1 2 349.456 3.956 20 0 EHADLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)Cc1ccsc1 ZINC000152919972 1040330423 /nfs/dbraw/zinc/33/04/23/1040330423.db2.gz QSKQYVNVFZTALZ-JTQLQIEISA-N 1 2 349.456 3.956 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000555244586 1040333936 /nfs/dbraw/zinc/33/39/36/1040333936.db2.gz VSKJREBLXBUHEM-PMACEKPBSA-N 1 2 333.435 3.882 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000490080675 1040338566 /nfs/dbraw/zinc/33/85/66/1040338566.db2.gz PMGGSQCNPCYFKD-SFHVURJKSA-N 1 2 346.858 3.622 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000490080675 1040338580 /nfs/dbraw/zinc/33/85/80/1040338580.db2.gz PMGGSQCNPCYFKD-SFHVURJKSA-N 1 2 346.858 3.622 20 0 EHADLO Cc1nc(N[C@@H](C)c2c(F)cncc2F)c(Br)c(C)[nH+]1 ZINC000663910261 1040370392 /nfs/dbraw/zinc/37/03/92/1040370392.db2.gz WOUTXMOAJPWJTL-LURJTMIESA-N 1 2 343.175 3.702 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccco3)n2c1 ZINC000668672908 1040389837 /nfs/dbraw/zinc/38/98/37/1040389837.db2.gz CUSLMHNFRUEKLY-LJQANCHMSA-N 1 2 337.423 3.589 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccco3)n2c1 ZINC000668672908 1040389851 /nfs/dbraw/zinc/38/98/51/1040389851.db2.gz CUSLMHNFRUEKLY-LJQANCHMSA-N 1 2 337.423 3.589 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CC4(CCOCC4)[C@H]3c3ccco3)n2c1 ZINC000668672908 1040389868 /nfs/dbraw/zinc/38/98/68/1040389868.db2.gz CUSLMHNFRUEKLY-LJQANCHMSA-N 1 2 337.423 3.589 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000477651370 1040394280 /nfs/dbraw/zinc/39/42/80/1040394280.db2.gz RRJGNEGRHZHGET-NVXWUHKLSA-N 1 2 329.444 3.935 20 0 EHADLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000477651370 1040394293 /nfs/dbraw/zinc/39/42/93/1040394293.db2.gz RRJGNEGRHZHGET-NVXWUHKLSA-N 1 2 329.444 3.935 20 0 EHADLO Cc1nc2sc3c(c2c(N2CCc4[nH+]c[nH]c4C2)n1)CCCCC3 ZINC000663919269 1040413665 /nfs/dbraw/zinc/41/36/65/1040413665.db2.gz KYIFHLJAKCVBQO-UHFFFAOYSA-N 1 2 339.468 3.554 20 0 EHADLO CC(C)(C)OCc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651464710 1040472902 /nfs/dbraw/zinc/47/29/02/1040472902.db2.gz MVNRACSUKARMSQ-UHFFFAOYSA-N 1 2 341.455 3.716 20 0 EHADLO CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000555367504 1040488253 /nfs/dbraw/zinc/48/82/53/1040488253.db2.gz JCHYYYBCVCHVOZ-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO CCOc1c(Cl)cc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000555367504 1040488261 /nfs/dbraw/zinc/48/82/61/1040488261.db2.gz JCHYYYBCVCHVOZ-NSHDSACASA-N 1 2 335.778 3.561 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1F ZINC000512682476 1040509951 /nfs/dbraw/zinc/50/99/51/1040509951.db2.gz GTXBEALEMIBDBI-IBGZPJMESA-N 1 2 331.362 3.692 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1F ZINC000512682476 1040509957 /nfs/dbraw/zinc/50/99/57/1040509957.db2.gz GTXBEALEMIBDBI-IBGZPJMESA-N 1 2 331.362 3.692 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000433039049 1040523930 /nfs/dbraw/zinc/52/39/30/1040523930.db2.gz MHMZSBPXWVFREG-VQIMIIECSA-N 1 2 332.488 3.752 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913041337 1040539458 /nfs/dbraw/zinc/53/94/58/1040539458.db2.gz YODICZRYJQTYTQ-HXUWFJFHSA-N 1 2 349.409 3.623 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913041337 1040539479 /nfs/dbraw/zinc/53/94/79/1040539479.db2.gz YODICZRYJQTYTQ-HXUWFJFHSA-N 1 2 349.409 3.623 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000473468097 1040553400 /nfs/dbraw/zinc/55/34/00/1040553400.db2.gz CDBZVJIXXUKMRI-QLFBSQMISA-N 1 2 344.434 3.587 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433053051 1040568244 /nfs/dbraw/zinc/56/82/44/1040568244.db2.gz OUBUPGQIDIORHA-LJQANCHMSA-N 1 2 336.435 3.707 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433053051 1040568257 /nfs/dbraw/zinc/56/82/57/1040568257.db2.gz OUBUPGQIDIORHA-LJQANCHMSA-N 1 2 336.435 3.707 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(F)cc1OCCC(F)(F)F ZINC000418128249 1040616458 /nfs/dbraw/zinc/61/64/58/1040616458.db2.gz ALTLSCMMVRVJTL-UHFFFAOYSA-N 1 2 331.313 3.985 20 0 EHADLO Cc1sc2nc(C[NH+]3CCCC3)nc(S[C@H]3CCOC3)c2c1C ZINC000487064630 1040675028 /nfs/dbraw/zinc/67/50/28/1040675028.db2.gz VNMBAAGFLBHAQZ-ZDUSSCGKSA-N 1 2 349.525 3.785 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000500256941 1040830286 /nfs/dbraw/zinc/83/02/86/1040830286.db2.gz XVXFXVKUAQNELA-FQEVSTJZSA-N 1 2 344.405 3.957 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000500256941 1040830302 /nfs/dbraw/zinc/83/03/02/1040830302.db2.gz XVXFXVKUAQNELA-FQEVSTJZSA-N 1 2 344.405 3.957 20 0 EHADLO O=C(Nc1ccc(O)c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000913475420 1040848752 /nfs/dbraw/zinc/84/87/52/1040848752.db2.gz VDABKPRVBYQGJX-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668769609 1040858657 /nfs/dbraw/zinc/85/86/57/1040858657.db2.gz DYVGYMAYALPLQK-CQSZACIVSA-N 1 2 330.451 3.552 20 0 EHADLO C[C@H](CCc1cccc(F)c1)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668769609 1040858677 /nfs/dbraw/zinc/85/86/77/1040858677.db2.gz DYVGYMAYALPLQK-CQSZACIVSA-N 1 2 330.451 3.552 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cn1)c1nc2ccccc2n1C ZINC000664038288 1040915866 /nfs/dbraw/zinc/91/58/66/1040915866.db2.gz MORNJBGPKVNBSX-NSHDSACASA-N 1 2 345.244 3.582 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000899655371 1040922315 /nfs/dbraw/zinc/92/23/15/1040922315.db2.gz KPHPRKWBSGYITJ-VQIMIIECSA-N 1 2 333.435 3.866 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000491150585 1040943643 /nfs/dbraw/zinc/94/36/43/1040943643.db2.gz VYGRTTBVQUZHEO-OCCSQVGLSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000491150585 1040943659 /nfs/dbraw/zinc/94/36/59/1040943659.db2.gz VYGRTTBVQUZHEO-OCCSQVGLSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000491150584 1040945031 /nfs/dbraw/zinc/94/50/31/1040945031.db2.gz VYGRTTBVQUZHEO-JSGCOSHPSA-N 1 2 349.272 3.997 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000491150584 1040945042 /nfs/dbraw/zinc/94/50/42/1040945042.db2.gz VYGRTTBVQUZHEO-JSGCOSHPSA-N 1 2 349.272 3.997 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)cc[nH+]1 ZINC000500298282 1040969529 /nfs/dbraw/zinc/96/95/29/1040969529.db2.gz HLIGFTRHUJAYJX-UHFFFAOYSA-N 1 2 335.841 3.903 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc4c(s3)CCCCC4)[nH+]c12 ZINC000586749105 1040994616 /nfs/dbraw/zinc/99/46/16/1040994616.db2.gz SIOFEBXRSAJECO-UHFFFAOYSA-N 1 2 340.452 3.549 20 0 EHADLO CC(C)=CCC[C@H](C)CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000843807248 1040996544 /nfs/dbraw/zinc/99/65/44/1040996544.db2.gz AHQWGFRYGQTMQU-HNNXBMFYSA-N 1 2 330.463 3.947 20 0 EHADLO CC(C)=CCC[C@H](C)CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000843807248 1040996555 /nfs/dbraw/zinc/99/65/55/1040996555.db2.gz AHQWGFRYGQTMQU-HNNXBMFYSA-N 1 2 330.463 3.947 20 0 EHADLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000586753653 1040999971 /nfs/dbraw/zinc/99/99/71/1040999971.db2.gz CPXSNQALJQHZCI-LBPRGKRZSA-N 1 2 340.254 3.890 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000512824449 1041039645 /nfs/dbraw/zinc/03/96/45/1041039645.db2.gz SHSLZOLACQITEV-RYUDHWBXSA-N 1 2 346.805 3.537 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000512824449 1041039650 /nfs/dbraw/zinc/03/96/50/1041039650.db2.gz SHSLZOLACQITEV-RYUDHWBXSA-N 1 2 346.805 3.537 20 0 EHADLO O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487773138 1041105353 /nfs/dbraw/zinc/10/53/53/1041105353.db2.gz WSUUKMMLJNZFNP-RTBURBONSA-N 1 2 346.434 3.724 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1 ZINC000419292363 1041125772 /nfs/dbraw/zinc/12/57/72/1041125772.db2.gz YMIBMLBARGVVCE-AWEZNQCLSA-N 1 2 335.398 3.852 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1 ZINC000419292363 1041125783 /nfs/dbraw/zinc/12/57/83/1041125783.db2.gz YMIBMLBARGVVCE-AWEZNQCLSA-N 1 2 335.398 3.852 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)c(F)c(F)c2)Cc2ccccc21 ZINC001143611187 1041143705 /nfs/dbraw/zinc/14/37/05/1041143705.db2.gz TZNRWNPTPOCVDH-MRXNPFEDSA-N 1 2 331.362 3.546 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)c(F)c(F)c2)Cc2ccccc21 ZINC001143611187 1041143714 /nfs/dbraw/zinc/14/37/14/1041143714.db2.gz TZNRWNPTPOCVDH-MRXNPFEDSA-N 1 2 331.362 3.546 20 0 EHADLO CC1(C)C(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1(C)C ZINC000571011193 1041163203 /nfs/dbraw/zinc/16/32/03/1041163203.db2.gz LICUGOHMHZGUOJ-CQSZACIVSA-N 1 2 344.503 3.543 20 0 EHADLO C[C@H]1CSCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660406692 1041165072 /nfs/dbraw/zinc/16/50/72/1041165072.db2.gz HDUIDWUERGJWSC-SECBINFHSA-N 1 2 335.698 3.682 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660406692 1041165082 /nfs/dbraw/zinc/16/50/82/1041165082.db2.gz HDUIDWUERGJWSC-SECBINFHSA-N 1 2 335.698 3.682 20 0 EHADLO Fc1ccccc1CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000433262345 1041173566 /nfs/dbraw/zinc/17/35/66/1041173566.db2.gz YYGCMXBCVQJKGA-SFHVURJKSA-N 1 2 336.414 3.990 20 0 EHADLO Fc1ccccc1CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000433262345 1041173576 /nfs/dbraw/zinc/17/35/76/1041173576.db2.gz YYGCMXBCVQJKGA-SFHVURJKSA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C)O1 ZINC000487928590 1041190488 /nfs/dbraw/zinc/19/04/88/1041190488.db2.gz WRXDIEXTPYIHQX-QFBILLFUSA-N 1 2 326.440 3.660 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H](C)O1 ZINC000487928590 1041190493 /nfs/dbraw/zinc/19/04/93/1041190493.db2.gz WRXDIEXTPYIHQX-QFBILLFUSA-N 1 2 326.440 3.660 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000487972967 1041217830 /nfs/dbraw/zinc/21/78/30/1041217830.db2.gz RDBFPVJCIRZVFA-ZDUSSCGKSA-N 1 2 325.387 3.976 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000487972967 1041217848 /nfs/dbraw/zinc/21/78/48/1041217848.db2.gz RDBFPVJCIRZVFA-ZDUSSCGKSA-N 1 2 325.387 3.976 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070603 1041224923 /nfs/dbraw/zinc/22/49/23/1041224923.db2.gz PVYYXOICEMOSDN-DNVCBOLYSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070603 1041224942 /nfs/dbraw/zinc/22/49/42/1041224942.db2.gz PVYYXOICEMOSDN-DNVCBOLYSA-N 1 2 329.465 3.673 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000487981798 1041233518 /nfs/dbraw/zinc/23/35/18/1041233518.db2.gz OZXRTZHMULQSHZ-CYBMUJFWSA-N 1 2 326.375 3.772 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000487981798 1041233529 /nfs/dbraw/zinc/23/35/29/1041233529.db2.gz OZXRTZHMULQSHZ-CYBMUJFWSA-N 1 2 326.375 3.772 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000052038492 1041434518 /nfs/dbraw/zinc/43/45/18/1041434518.db2.gz YXHPOQDCCSUKGY-LBPRGKRZSA-N 1 2 335.810 3.947 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000052038492 1041434522 /nfs/dbraw/zinc/43/45/22/1041434522.db2.gz YXHPOQDCCSUKGY-LBPRGKRZSA-N 1 2 335.810 3.947 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H](C2CCC2)C1 ZINC000660457221 1041436617 /nfs/dbraw/zinc/43/66/17/1041436617.db2.gz KKUNTDMYTBJIBV-GOSISDBHSA-N 1 2 338.455 3.594 20 0 EHADLO CCC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)C[C@H]1CCCCO1 ZINC000111229962 1041534364 /nfs/dbraw/zinc/53/43/64/1041534364.db2.gz UDKTWBBWSUGYAP-QGZVFWFLSA-N 1 2 345.443 3.526 20 0 EHADLO CCC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)C[C@H]1CCCCO1 ZINC000111229962 1041534373 /nfs/dbraw/zinc/53/43/73/1041534373.db2.gz UDKTWBBWSUGYAP-QGZVFWFLSA-N 1 2 345.443 3.526 20 0 EHADLO COc1ccc(C[N@@H+](Cc2coc(C)n2)CC2CCC2)c(OC)c1 ZINC000660488580 1041569297 /nfs/dbraw/zinc/56/92/97/1041569297.db2.gz RFEJLEVPWIEUST-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO COc1ccc(C[N@H+](Cc2coc(C)n2)CC2CCC2)c(OC)c1 ZINC000660488580 1041569302 /nfs/dbraw/zinc/56/93/02/1041569302.db2.gz RFEJLEVPWIEUST-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)n1 ZINC000293240475 1041608715 /nfs/dbraw/zinc/60/87/15/1041608715.db2.gz HRWLFZDWMYIZBE-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)n1 ZINC000293240475 1041608718 /nfs/dbraw/zinc/60/87/18/1041608718.db2.gz HRWLFZDWMYIZBE-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(F)c2OC(F)F)[C@H]1[C@H]1CCCO1 ZINC000660564378 1041674912 /nfs/dbraw/zinc/67/49/12/1041674912.db2.gz UNQQKSGGUVBHKN-HIFRSBDPSA-N 1 2 329.362 3.817 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(F)c2OC(F)F)[C@H]1[C@H]1CCCO1 ZINC000660564378 1041674916 /nfs/dbraw/zinc/67/49/16/1041674916.db2.gz UNQQKSGGUVBHKN-HIFRSBDPSA-N 1 2 329.362 3.817 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000026621271 1041720028 /nfs/dbraw/zinc/72/00/28/1041720028.db2.gz UQMMGLSXZZOVKA-INIZCTEOSA-N 1 2 346.858 3.754 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000026621271 1041720037 /nfs/dbraw/zinc/72/00/37/1041720037.db2.gz UQMMGLSXZZOVKA-INIZCTEOSA-N 1 2 346.858 3.754 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)C(F)F)C1 ZINC000660626632 1041732066 /nfs/dbraw/zinc/73/20/66/1041732066.db2.gz YWYQMJNSVNELTH-GDBMZVCRSA-N 1 2 338.442 3.867 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000466936289 1041751825 /nfs/dbraw/zinc/75/18/25/1041751825.db2.gz PVMWOQWGFKDYJE-FQEVSTJZSA-N 1 2 336.435 3.665 20 0 EHADLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000466936289 1041751831 /nfs/dbraw/zinc/75/18/31/1041751831.db2.gz PVMWOQWGFKDYJE-FQEVSTJZSA-N 1 2 336.435 3.665 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000651614828 1041790642 /nfs/dbraw/zinc/79/06/42/1041790642.db2.gz XDFOYONCULRAEV-LTDCPUDJSA-N 1 2 348.437 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000651614828 1041790647 /nfs/dbraw/zinc/79/06/47/1041790647.db2.gz XDFOYONCULRAEV-LTDCPUDJSA-N 1 2 348.437 3.653 20 0 EHADLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)[nH]1 ZINC000660809359 1041829040 /nfs/dbraw/zinc/82/90/40/1041829040.db2.gz VIPDRBXXBQXVJK-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)[nH]1 ZINC000660809359 1041829047 /nfs/dbraw/zinc/82/90/47/1041829047.db2.gz VIPDRBXXBQXVJK-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)n1 ZINC000660809359 1041829057 /nfs/dbraw/zinc/82/90/57/1041829057.db2.gz VIPDRBXXBQXVJK-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000468876601 1041853991 /nfs/dbraw/zinc/85/39/91/1041853991.db2.gz GBUUDLUPAYZBFN-UXHICEINSA-N 1 2 338.451 3.891 20 0 EHADLO COc1cc(C[N@H+](C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)sn1 ZINC000660904928 1041864017 /nfs/dbraw/zinc/86/40/17/1041864017.db2.gz VBLGWVARSXRTIX-QGZVFWFLSA-N 1 2 345.512 3.637 20 0 EHADLO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)sn1 ZINC000660904928 1041864022 /nfs/dbraw/zinc/86/40/22/1041864022.db2.gz VBLGWVARSXRTIX-QGZVFWFLSA-N 1 2 345.512 3.637 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](CC1CCC1)c1ccccc1 ZINC000651676223 1041895045 /nfs/dbraw/zinc/89/50/45/1041895045.db2.gz SPGBMDQASTUMBX-LJQANCHMSA-N 1 2 337.467 3.810 20 0 EHADLO CCCC[C@H](CC)CCCN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661044837 1041917278 /nfs/dbraw/zinc/91/72/78/1041917278.db2.gz JUVWXDLZGUIUPO-IRXDYDNUSA-N 1 2 334.508 3.836 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000661136125 1041965210 /nfs/dbraw/zinc/96/52/10/1041965210.db2.gz ILCVXZVYYSFLHC-INIZCTEOSA-N 1 2 333.453 3.637 20 0 EHADLO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000661136125 1041965216 /nfs/dbraw/zinc/96/52/16/1041965216.db2.gz ILCVXZVYYSFLHC-INIZCTEOSA-N 1 2 333.453 3.637 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651741251 1041986244 /nfs/dbraw/zinc/98/62/44/1041986244.db2.gz CKCLWTOUQARSOM-BTYIYWSLSA-N 1 2 337.467 3.592 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044933884 1042010485 /nfs/dbraw/zinc/01/04/85/1042010485.db2.gz ZYKLHBQGJVWKHF-MRXNPFEDSA-N 1 2 349.434 3.821 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cscn1)c1cccc2ccccc21 ZINC000661424206 1042113841 /nfs/dbraw/zinc/11/38/41/1042113841.db2.gz OSZLEPFDNBIYCX-KGLIPLIRSA-N 1 2 339.464 3.824 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H](Cc1cccnc1)C1CCCC1 ZINC001126097006 1042165347 /nfs/dbraw/zinc/16/53/47/1042165347.db2.gz JKKWHEONBVGJIP-QGZVFWFLSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000661638410 1042222489 /nfs/dbraw/zinc/22/24/89/1042222489.db2.gz GSHJTQJXGPIZFN-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000661638410 1042222494 /nfs/dbraw/zinc/22/24/94/1042222494.db2.gz GSHJTQJXGPIZFN-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO C[C@@H]([NH2+]C1(c2ccccc2Br)CCC1)c1ccn(C)n1 ZINC000652219128 1042275410 /nfs/dbraw/zinc/27/54/10/1042275410.db2.gz WKTKVDQWONNRBP-GFCCVEGCSA-N 1 2 334.261 3.913 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000661878529 1042383841 /nfs/dbraw/zinc/38/38/41/1042383841.db2.gz NWRMZJXDXBOYQV-NWDGAFQWSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000661878529 1042383846 /nfs/dbraw/zinc/38/38/46/1042383846.db2.gz NWRMZJXDXBOYQV-NWDGAFQWSA-N 1 2 334.407 3.943 20 0 EHADLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661954182 1042426555 /nfs/dbraw/zinc/42/65/55/1042426555.db2.gz VGGXDVJNNIPWRV-GFCCVEGCSA-N 1 2 331.441 3.694 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nnc(-c3cccc(Cl)c3)o1)CC2 ZINC000661954140 1042426625 /nfs/dbraw/zinc/42/66/25/1042426625.db2.gz IWBFVSDBPJYYLQ-UHFFFAOYSA-N 1 2 345.830 3.725 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccc(C)cc1 ZINC000661967084 1042434137 /nfs/dbraw/zinc/43/41/37/1042434137.db2.gz BDJOBWQJYFRXAJ-HZPDHXFCSA-N 1 2 341.480 3.978 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1)c1ccc(C)cc1 ZINC000661967084 1042434140 /nfs/dbraw/zinc/43/41/40/1042434140.db2.gz BDJOBWQJYFRXAJ-HZPDHXFCSA-N 1 2 341.480 3.978 20 0 EHADLO COC(=O)c1ccc(F)c(CSCc2cc(OC)cc(C)[nH+]2)c1 ZINC000511925245 1042446652 /nfs/dbraw/zinc/44/66/52/1042446652.db2.gz XPVFLXDNEPPUIJ-UHFFFAOYSA-N 1 2 335.400 3.758 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000652429346 1042470824 /nfs/dbraw/zinc/47/08/24/1042470824.db2.gz KWMBPSDYUZUMNY-NRFANRHFSA-N 1 2 349.478 3.906 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000662042315 1042477346 /nfs/dbraw/zinc/47/73/46/1042477346.db2.gz BPGRJMQEWHBJCZ-CYBMUJFWSA-N 1 2 345.468 3.603 20 0 EHADLO FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662094406 1042515159 /nfs/dbraw/zinc/51/51/59/1042515159.db2.gz BEMWOPMJGIPUOJ-CHWSQXEVSA-N 1 2 332.188 3.620 20 0 EHADLO FC1(F)C[C@H]1OCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662094406 1042515163 /nfs/dbraw/zinc/51/51/63/1042515163.db2.gz BEMWOPMJGIPUOJ-CHWSQXEVSA-N 1 2 332.188 3.620 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000662162247 1042556008 /nfs/dbraw/zinc/55/60/08/1042556008.db2.gz AXOVAZMVUCISDV-OAHLLOKOSA-N 1 2 343.320 3.698 20 0 EHADLO C[C@@H](C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000662235922 1042622919 /nfs/dbraw/zinc/62/29/19/1042622919.db2.gz AHCHSGDJOUNXGT-ZDUSSCGKSA-N 1 2 332.879 3.848 20 0 EHADLO C[C@@H](C[N@H+]1CCn2c(nnc2C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000662235922 1042622923 /nfs/dbraw/zinc/62/29/23/1042622923.db2.gz AHCHSGDJOUNXGT-ZDUSSCGKSA-N 1 2 332.879 3.848 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H](CC(F)(F)F)O1 ZINC000662242682 1042628814 /nfs/dbraw/zinc/62/88/14/1042628814.db2.gz PEQKTYRPEOOQIF-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H](CC(F)(F)F)O1 ZINC000662242682 1042628816 /nfs/dbraw/zinc/62/88/16/1042628816.db2.gz PEQKTYRPEOOQIF-GWCFXTLKSA-N 1 2 339.304 3.830 20 0 EHADLO CC(=O)NC1CCC(N(C)c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000343896172 1042655413 /nfs/dbraw/zinc/65/54/13/1042655413.db2.gz WRNVMHUSJYZNTK-UHFFFAOYSA-N 1 2 332.492 3.607 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662290003 1042661641 /nfs/dbraw/zinc/66/16/41/1042661641.db2.gz DHXXVVHMNDCEFN-BZUAXINKSA-N 1 2 338.451 3.838 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000662290003 1042661644 /nfs/dbraw/zinc/66/16/44/1042661644.db2.gz DHXXVVHMNDCEFN-BZUAXINKSA-N 1 2 338.451 3.838 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cs1 ZINC000165252213 1042736970 /nfs/dbraw/zinc/73/69/70/1042736970.db2.gz OCPDAZZDIVEEET-YPMHNXCESA-N 1 2 336.505 3.961 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)n2)c1 ZINC000278873779 1042794772 /nfs/dbraw/zinc/79/47/72/1042794772.db2.gz YUAOJRRGEJAONQ-IPYPFGDCSA-N 1 2 337.427 3.742 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000603942531 1042857235 /nfs/dbraw/zinc/85/72/35/1042857235.db2.gz YKNJZCBPTXZRFD-MRXNPFEDSA-N 1 2 341.455 3.920 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000603942531 1042857240 /nfs/dbraw/zinc/85/72/40/1042857240.db2.gz YKNJZCBPTXZRFD-MRXNPFEDSA-N 1 2 341.455 3.920 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272421 1042908277 /nfs/dbraw/zinc/90/82/77/1042908277.db2.gz CVNUSZVUSVZTQU-LXZKKBNFSA-N 1 2 341.455 3.985 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272420 1042908400 /nfs/dbraw/zinc/90/84/00/1042908400.db2.gz CVNUSZVUSVZTQU-KMFMINBZSA-N 1 2 341.455 3.985 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408274530 1042921276 /nfs/dbraw/zinc/92/12/76/1042921276.db2.gz ZZBOUVKCIZQOAW-XPKDYRNWSA-N 1 2 327.428 3.731 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000408279443 1042942186 /nfs/dbraw/zinc/94/21/86/1042942186.db2.gz JGTPSVIBPBMJIN-ZACQAIPSSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1nnc(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)o1 ZINC000278947149 1043067524 /nfs/dbraw/zinc/06/75/24/1043067524.db2.gz YLKPRJWEELMYCN-UHFFFAOYSA-N 1 2 349.434 3.529 20 0 EHADLO O=C(Nc1ccc(C2CCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000278972259 1043109990 /nfs/dbraw/zinc/10/99/90/1043109990.db2.gz QEUUQBDXJXABNJ-GOSISDBHSA-N 1 2 336.439 3.750 20 0 EHADLO COc1cccc([C@H](C)CCCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000279009454 1043184690 /nfs/dbraw/zinc/18/46/90/1043184690.db2.gz KTOXBRJOMRQQAP-IAGOWNOFSA-N 1 2 343.471 3.618 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344109410 1043271258 /nfs/dbraw/zinc/27/12/58/1043271258.db2.gz KSIVJVRZNGIFMK-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344109410 1043271270 /nfs/dbraw/zinc/27/12/70/1043271270.db2.gz KSIVJVRZNGIFMK-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO Cc1sc(NC(=O)CCc2[nH]cc[nH+]2)nc1-c1ccc(F)cc1 ZINC000344146700 1043329445 /nfs/dbraw/zinc/32/94/45/1043329445.db2.gz YFCMGZQYAPXAEM-UHFFFAOYSA-N 1 2 330.388 3.552 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344240015 1043503990 /nfs/dbraw/zinc/50/39/90/1043503990.db2.gz ZNEGEQYTAJRQTA-HXUWFJFHSA-N 1 2 347.418 3.688 20 0 EHADLO FC(F)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1cccnc1 ZINC000344251001 1043529025 /nfs/dbraw/zinc/52/90/25/1043529025.db2.gz PKJFMXOEDJCLFI-SQNIBIBYSA-N 1 2 332.394 3.768 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000279243375 1043633566 /nfs/dbraw/zinc/63/35/66/1043633566.db2.gz QRBCCINAVGUCKT-RDTXWAMCSA-N 1 2 341.455 3.995 20 0 EHADLO CC(C)(CNC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(F)c1 ZINC000606583949 1043700021 /nfs/dbraw/zinc/70/00/21/1043700021.db2.gz UTTFNTZTIIVHNB-UHFFFAOYSA-N 1 2 326.375 3.573 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)nc1 ZINC000663714625 1043788701 /nfs/dbraw/zinc/78/87/01/1043788701.db2.gz NYAZDJLUDVNYKZ-QGZVFWFLSA-N 1 2 338.373 3.569 20 0 EHADLO CCc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)nc1 ZINC000663714625 1043788709 /nfs/dbraw/zinc/78/87/09/1043788709.db2.gz NYAZDJLUDVNYKZ-QGZVFWFLSA-N 1 2 338.373 3.569 20 0 EHADLO Cc1c(N[C@@H]2CCC(F)(F)C2)nc[nH+]c1N[C@H]1CCC(F)(F)C1 ZINC000663718609 1043803010 /nfs/dbraw/zinc/80/30/10/1043803010.db2.gz DXDNVPJAQDZLRT-PHIMTYICSA-N 1 2 332.345 3.984 20 0 EHADLO Cc1c(N[C@H]2CCC(F)(F)C2)nc[nH+]c1N[C@@H]1CCC(F)(F)C1 ZINC000663718609 1043803030 /nfs/dbraw/zinc/80/30/30/1043803030.db2.gz DXDNVPJAQDZLRT-PHIMTYICSA-N 1 2 332.345 3.984 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)[C@H]1Oc1ccccc1 ZINC000893685641 1043872140 /nfs/dbraw/zinc/87/21/40/1043872140.db2.gz YDPQAMDTKDDULU-FRQCXROJSA-N 1 2 344.455 3.687 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(C)o1 ZINC000279444045 1044091126 /nfs/dbraw/zinc/09/11/26/1044091126.db2.gz HRBYLGRMRRDGGO-OLZOCXBDSA-N 1 2 325.416 3.797 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)sc1C ZINC000279579125 1044251995 /nfs/dbraw/zinc/25/19/95/1044251995.db2.gz SCUPVCQDDIUWTA-UHFFFAOYSA-N 1 2 343.496 3.918 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000279605577 1044297790 /nfs/dbraw/zinc/29/77/90/1044297790.db2.gz YPYJZYBTRROAHR-CRAIPNDOSA-N 1 2 343.496 3.860 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CCOc2ccc(C)cc2C1)c1ccccc1 ZINC000512238189 1044315524 /nfs/dbraw/zinc/31/55/24/1044315524.db2.gz YMGVGWHEZZJVMO-KRWDZBQOSA-N 1 2 338.451 3.631 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CCOc2ccc(C)cc2C1)c1ccccc1 ZINC000512238189 1044315538 /nfs/dbraw/zinc/31/55/38/1044315538.db2.gz YMGVGWHEZZJVMO-KRWDZBQOSA-N 1 2 338.451 3.631 20 0 EHADLO C[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279635140 1044339407 /nfs/dbraw/zinc/33/94/07/1044339407.db2.gz ZRFCVCGWWQPKHQ-INIZCTEOSA-N 1 2 337.467 3.729 20 0 EHADLO O=C(c1csc(Cl)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279636729 1044343677 /nfs/dbraw/zinc/34/36/77/1044343677.db2.gz ZVIAIPZCDOIHBQ-UHFFFAOYSA-N 1 2 349.887 3.954 20 0 EHADLO CC(C)([NH2+]Cc1cnc2ccccn12)c1nc(C(F)(F)F)cs1 ZINC000344743484 1044370038 /nfs/dbraw/zinc/37/00/38/1044370038.db2.gz SADXQOVMHCJYJV-UHFFFAOYSA-N 1 2 340.374 3.835 20 0 EHADLO COC[C@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn12)c1ccc(C)o1 ZINC000344760113 1044389481 /nfs/dbraw/zinc/38/94/81/1044389481.db2.gz ARPXDEFHFAKGJZ-ZDUSSCGKSA-N 1 2 348.472 3.601 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000512294691 1044570989 /nfs/dbraw/zinc/57/09/89/1044570989.db2.gz QUSCKVMNFWYTKY-PLNGDYQASA-N 1 2 330.447 3.563 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1C(F)(F)F ZINC000112496701 1044607973 /nfs/dbraw/zinc/60/79/73/1044607973.db2.gz FSUYZASBRSOTPK-UHFFFAOYSA-N 1 2 330.331 3.518 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000613999746 1044648099 /nfs/dbraw/zinc/64/80/99/1044648099.db2.gz GFPQBOXAPUAGEH-DZFIZOCASA-N 1 2 331.504 3.901 20 0 EHADLO CCC[N@H+](C)Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000338064804 1044702656 /nfs/dbraw/zinc/70/26/56/1044702656.db2.gz KWNBZRKFLIKHEN-CYBMUJFWSA-N 1 2 331.313 3.989 20 0 EHADLO CCC[N@@H+](C)Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000338064804 1044702662 /nfs/dbraw/zinc/70/26/62/1044702662.db2.gz KWNBZRKFLIKHEN-CYBMUJFWSA-N 1 2 331.313 3.989 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2oc3ccccc3c2OC)c1 ZINC000618577842 1044766384 /nfs/dbraw/zinc/76/63/84/1044766384.db2.gz WPGJOTSJFOLFMI-NSHDSACASA-N 1 2 329.352 3.672 20 0 EHADLO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)n1 ZINC000649780836 1125553512 /nfs/dbraw/zinc/55/35/12/1125553512.db2.gz IEPDDTLZPPOCIZ-WFASDCNBSA-N 1 2 342.443 3.513 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000620371090 1125558925 /nfs/dbraw/zinc/55/89/25/1125558925.db2.gz NRZVSUDITLJLKG-INIZCTEOSA-N 1 2 325.456 3.878 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000620409653 1125566942 /nfs/dbraw/zinc/56/69/42/1125566942.db2.gz HHEMVLMBBFIAPZ-UHFFFAOYSA-N 1 2 348.378 3.704 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000620410964 1125567155 /nfs/dbraw/zinc/56/71/55/1125567155.db2.gz RMBAVQGYQYQEPL-GOSISDBHSA-N 1 2 343.427 3.770 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153564377 1125632492 /nfs/dbraw/zinc/63/24/92/1125632492.db2.gz OZVVCYBPKQIYAS-BEFAXECRSA-N 1 2 339.439 3.568 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000153561894 1125632517 /nfs/dbraw/zinc/63/25/17/1125632517.db2.gz ZLTQGFGBRUIQQB-DYVFJYSZSA-N 1 2 345.830 3.659 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000153568703 1125632529 /nfs/dbraw/zinc/63/25/29/1125632529.db2.gz NEQFVRJFRNIRFH-AWEZNQCLSA-N 1 2 348.878 3.967 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000153568703 1125632532 /nfs/dbraw/zinc/63/25/32/1125632532.db2.gz NEQFVRJFRNIRFH-AWEZNQCLSA-N 1 2 348.878 3.967 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000153757816 1125656376 /nfs/dbraw/zinc/65/63/76/1125656376.db2.gz YUHFDLSXRWFHSK-SFHVURJKSA-N 1 2 344.503 3.650 20 0 EHADLO Cn1ncnc1C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000153886239 1125671996 /nfs/dbraw/zinc/67/19/96/1125671996.db2.gz AHYGSKBEVNNFNV-OAQYLSRUSA-N 1 2 328.419 3.848 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(O)cc3C)cn2c1 ZINC000154042700 1125687457 /nfs/dbraw/zinc/68/74/57/1125687457.db2.gz UOWBFWGYUHPIFL-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000154348780 1125713170 /nfs/dbraw/zinc/71/31/70/1125713170.db2.gz FVRICFVQUTXONC-LJQANCHMSA-N 1 2 331.460 3.869 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](c3ncccc3C)C(C)C)nc(N)c2c1C ZINC000154380545 1125715432 /nfs/dbraw/zinc/71/54/32/1125715432.db2.gz RGYXECXHZVBITB-INIZCTEOSA-N 1 2 339.443 3.612 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)N(C)CCCn2cc[nH+]c2)ccc1C(C)C ZINC000154862995 1125761523 /nfs/dbraw/zinc/76/15/23/1125761523.db2.gz LPWACYLXLGXSFQ-KRWDZBQOSA-N 1 2 343.471 3.631 20 0 EHADLO COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000154909280 1125765699 /nfs/dbraw/zinc/76/56/99/1125765699.db2.gz KTWZUGDTHPPPKR-OAHLLOKOSA-N 1 2 335.407 3.698 20 0 EHADLO O=C(Nc1cccc(-c2ncco2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155079472 1125783663 /nfs/dbraw/zinc/78/36/63/1125783663.db2.gz UWJPOUTWXOLJNS-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO CC(C)([NH2+]Cc1csc(C2CCCC2)n1)C(=O)NCC1CCCC1 ZINC000155097797 1125785344 /nfs/dbraw/zinc/78/53/44/1125785344.db2.gz QEQSXQSRZWXRRX-UHFFFAOYSA-N 1 2 349.544 3.975 20 0 EHADLO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000186754180 1129798615 /nfs/dbraw/zinc/79/86/15/1129798615.db2.gz IGYJSMAEFCPKJG-QMMMGPOBSA-N 1 2 343.176 3.713 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000622541933 1126717854 /nfs/dbraw/zinc/71/78/54/1126717854.db2.gz LAWCJUHOLPXDIK-INIZCTEOSA-N 1 2 349.434 3.830 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000622541933 1126717859 /nfs/dbraw/zinc/71/78/59/1126717859.db2.gz LAWCJUHOLPXDIK-INIZCTEOSA-N 1 2 349.434 3.830 20 0 EHADLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1cccc(Cl)c1 ZINC000184963747 1126723510 /nfs/dbraw/zinc/72/35/10/1126723510.db2.gz OLXUDPDOECCXGP-INIZCTEOSA-N 1 2 326.223 3.696 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514720 1126741967 /nfs/dbraw/zinc/74/19/67/1126741967.db2.gz CKKRXAIIXZXYGW-KXBFYZLASA-N 1 2 343.471 3.769 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000072514720 1126741972 /nfs/dbraw/zinc/74/19/72/1126741972.db2.gz CKKRXAIIXZXYGW-KXBFYZLASA-N 1 2 343.471 3.769 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000072514425 1126742157 /nfs/dbraw/zinc/74/21/57/1126742157.db2.gz DOMLBIUPFZVDDP-AAEUAGOBSA-N 1 2 349.862 3.643 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000072514425 1126742160 /nfs/dbraw/zinc/74/21/60/1126742160.db2.gz DOMLBIUPFZVDDP-AAEUAGOBSA-N 1 2 349.862 3.643 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000671242949 1126812108 /nfs/dbraw/zinc/81/21/08/1126812108.db2.gz XIYGHOVVYPGAIG-KBMXLJTQSA-N 1 2 329.444 3.527 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000671242949 1126812110 /nfs/dbraw/zinc/81/21/10/1126812110.db2.gz XIYGHOVVYPGAIG-KBMXLJTQSA-N 1 2 329.444 3.527 20 0 EHADLO CC[C@@H](C[N@H+](CC)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000185213054 1126821770 /nfs/dbraw/zinc/82/17/70/1126821770.db2.gz VIMVFYGCBCKVIC-KRWDZBQOSA-N 1 2 335.451 3.870 20 0 EHADLO CC[C@@H](C[N@@H+](CC)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000185213054 1126821774 /nfs/dbraw/zinc/82/17/74/1126821774.db2.gz VIMVFYGCBCKVIC-KRWDZBQOSA-N 1 2 335.451 3.870 20 0 EHADLO C[C@H]([NH2+]Cc1cscn1)c1cc(Br)cc(F)c1O ZINC000185246567 1126836551 /nfs/dbraw/zinc/83/65/51/1126836551.db2.gz CQHPTLFLCOXREZ-ZETCQYMHSA-N 1 2 331.210 3.601 20 0 EHADLO C[N@H+](Cc1cn2ccsc2n1)Cc1cccc(Br)c1 ZINC000339134803 1126840128 /nfs/dbraw/zinc/84/01/28/1126840128.db2.gz VXWFADLYZZRERM-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1cccc(Br)c1 ZINC000339134803 1126840134 /nfs/dbraw/zinc/84/01/34/1126840134.db2.gz VXWFADLYZZRERM-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000623121683 1126880179 /nfs/dbraw/zinc/88/01/79/1126880179.db2.gz CDINVYMSHAEWGG-HNNXBMFYSA-N 1 2 330.394 3.918 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000623121683 1126880183 /nfs/dbraw/zinc/88/01/83/1126880183.db2.gz CDINVYMSHAEWGG-HNNXBMFYSA-N 1 2 330.394 3.918 20 0 EHADLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccccc1OC(F)F ZINC000623230928 1126899830 /nfs/dbraw/zinc/89/98/30/1126899830.db2.gz BULNDLWGSKRMRC-PXAZEXFGSA-N 1 2 346.377 3.652 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000623253871 1126903038 /nfs/dbraw/zinc/90/30/38/1126903038.db2.gz GJKIUQCJGKMJML-UHFFFAOYSA-N 1 2 343.446 3.816 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000623247683 1126904888 /nfs/dbraw/zinc/90/48/88/1126904888.db2.gz QIPVUECTJPQSJJ-UHFFFAOYSA-N 1 2 325.412 3.631 20 0 EHADLO CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)o2)cc1 ZINC000623265040 1126907934 /nfs/dbraw/zinc/90/79/34/1126907934.db2.gz ZPXOJXJKFHMQFZ-MRXNPFEDSA-N 1 2 349.434 3.795 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000623260322 1126907966 /nfs/dbraw/zinc/90/79/66/1126907966.db2.gz NQKXFUJIMWDFMO-UHFFFAOYSA-N 1 2 340.358 3.628 20 0 EHADLO Cc1cc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)c(C)o1 ZINC000623275008 1126907488 /nfs/dbraw/zinc/90/74/88/1126907488.db2.gz FGDVIOSRFUROMP-UHFFFAOYSA-N 1 2 330.413 3.635 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296706 1126910449 /nfs/dbraw/zinc/91/04/49/1126910449.db2.gz OBPIIMQFPMWEAO-AWEZNQCLSA-N 1 2 349.887 3.540 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000623300330 1126910793 /nfs/dbraw/zinc/91/07/93/1126910793.db2.gz OQURQIHJHWEOOW-SECBINFHSA-N 1 2 344.629 3.588 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918379 1126934378 /nfs/dbraw/zinc/93/43/78/1126934378.db2.gz RTROTQJDJHCKEF-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000072918379 1126934379 /nfs/dbraw/zinc/93/43/79/1126934379.db2.gz RTROTQJDJHCKEF-HIFRSBDPSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422226 1126950795 /nfs/dbraw/zinc/95/07/95/1126950795.db2.gz NKQLVEBYPSDARB-PXNSSMCTSA-N 1 2 329.532 3.674 20 0 EHADLO Cn1cnc2cc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)ccc21 ZINC000623658554 1127006429 /nfs/dbraw/zinc/00/64/29/1127006429.db2.gz YOVXASOTFJRGJG-INIZCTEOSA-N 1 2 329.394 3.929 20 0 EHADLO Cn1cnc2cc(C[NH2+][C@H](CCc3ccccc3)C(F)F)ccc21 ZINC000623658555 1127006993 /nfs/dbraw/zinc/00/69/93/1127006993.db2.gz YOVXASOTFJRGJG-MRXNPFEDSA-N 1 2 329.394 3.929 20 0 EHADLO C/C=C/C[C@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623688077 1127022767 /nfs/dbraw/zinc/02/27/67/1127022767.db2.gz ZOEDNAZTGWCPFN-IDOMTICXSA-N 1 2 340.471 3.573 20 0 EHADLO CC1CCN(c2ccc(CNc3[nH+]c4ccccc4n3C)cn2)CC1 ZINC000179283489 1127055122 /nfs/dbraw/zinc/05/51/22/1127055122.db2.gz XCDDEBHJKJCAFG-UHFFFAOYSA-N 1 2 335.455 3.817 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000179312727 1127056480 /nfs/dbraw/zinc/05/64/80/1127056480.db2.gz PWDLKOBKNJQMJE-QGZVFWFLSA-N 1 2 329.488 3.905 20 0 EHADLO CCCc1nc(C)c(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)o1 ZINC000350521708 1127081891 /nfs/dbraw/zinc/08/18/91/1127081891.db2.gz IGVGBNBZZNWUHU-UHFFFAOYSA-N 1 2 337.383 3.532 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1C ZINC000179894846 1127098870 /nfs/dbraw/zinc/09/88/70/1127098870.db2.gz CKOZJVRQEBLPOH-NWDGAFQWSA-N 1 2 335.375 3.934 20 0 EHADLO Cc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1F ZINC000179945007 1127102505 /nfs/dbraw/zinc/10/25/05/1127102505.db2.gz GEJNFITYKVGVLL-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1cc(Cl)cc2cc(-c3noc(CCn4cc[nH+]c4)n3)oc21 ZINC000351046344 1127134779 /nfs/dbraw/zinc/13/47/79/1127134779.db2.gz WHJTYCKVCIDGLT-UHFFFAOYSA-N 1 2 328.759 3.884 20 0 EHADLO Cc1cccn2c(CNc3ccc4c(c3)[C@@H](C)CC(=O)N4C)c[nH+]c12 ZINC000623791873 1127165172 /nfs/dbraw/zinc/16/51/72/1127165172.db2.gz ZZVOGMJJGFPCGU-AWEZNQCLSA-N 1 2 334.423 3.725 20 0 EHADLO Fc1ccc2occ(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000351362026 1127174633 /nfs/dbraw/zinc/17/46/33/1127174633.db2.gz HVKKOSGIZHAFTM-BLLLJJGKSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2occ(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000351362026 1127174635 /nfs/dbraw/zinc/17/46/35/1127174635.db2.gz HVKKOSGIZHAFTM-BLLLJJGKSA-N 1 2 343.358 3.548 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Nc1ccccc1)[NH+]1CCSCC1 ZINC000180797038 1127186863 /nfs/dbraw/zinc/18/68/63/1127186863.db2.gz FATQRNHIDQJSQN-HNNXBMFYSA-N 1 2 341.480 3.806 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc(-n2cccn2)cc1 ZINC000180855361 1127189841 /nfs/dbraw/zinc/18/98/41/1127189841.db2.gz PBNYKZBIIGCPNN-AWEZNQCLSA-N 1 2 337.427 3.764 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nncn3-c3ccccc3)oc21 ZINC000181483143 1127278881 /nfs/dbraw/zinc/27/88/81/1127278881.db2.gz GXTBEDZPVWSPHD-AWEZNQCLSA-N 1 2 348.406 3.873 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000181758556 1127294567 /nfs/dbraw/zinc/29/45/67/1127294567.db2.gz CEICQVRNTVXXEX-NSHDSACASA-N 1 2 348.805 3.971 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccco3)co2)cc1 ZINC000182093739 1127311703 /nfs/dbraw/zinc/31/17/03/1127311703.db2.gz AXKNITWSYVXQJR-ZDUSSCGKSA-N 1 2 340.379 3.914 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccco3)co2)cc1 ZINC000182093739 1127311708 /nfs/dbraw/zinc/31/17/08/1127311708.db2.gz AXKNITWSYVXQJR-ZDUSSCGKSA-N 1 2 340.379 3.914 20 0 EHADLO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C12CCC2 ZINC000182615755 1127339878 /nfs/dbraw/zinc/33/98/78/1127339878.db2.gz RJOVKGUZIJAUOQ-MOPGFXCFSA-N 1 2 330.472 3.591 20 0 EHADLO Cc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1-c1ccc(F)cc1 ZINC000182650303 1127341030 /nfs/dbraw/zinc/34/10/30/1127341030.db2.gz FWBNJAMOTLDYSM-UHFFFAOYSA-N 1 2 338.386 3.892 20 0 EHADLO CCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1CC ZINC000182723004 1127344645 /nfs/dbraw/zinc/34/46/45/1127344645.db2.gz ZGLZTQMRYGOLHW-UHFFFAOYSA-N 1 2 338.455 3.561 20 0 EHADLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(C)ccc1OC ZINC000182889022 1127352506 /nfs/dbraw/zinc/35/25/06/1127352506.db2.gz NDCXJLBPSCCQGE-GOSISDBHSA-N 1 2 341.455 3.798 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1 ZINC000183066733 1127361467 /nfs/dbraw/zinc/36/14/67/1127361467.db2.gz WWVJKMYDNBIKOJ-WNSKOXEYSA-N 1 2 346.477 3.613 20 0 EHADLO COc1ccccc1-c1nc(C[NH2+][C@@H](CO)c2ccccc2)cs1 ZINC000183648250 1127383141 /nfs/dbraw/zinc/38/31/41/1127383141.db2.gz ABENZEGROJSVFF-KRWDZBQOSA-N 1 2 340.448 3.642 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccco1 ZINC000184172855 1127396899 /nfs/dbraw/zinc/39/68/99/1127396899.db2.gz MOECPZWVRSGOFK-CYBMUJFWSA-N 1 2 345.365 3.535 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184195391 1127397830 /nfs/dbraw/zinc/39/78/30/1127397830.db2.gz AJPPCJIGEVYQMC-UWVGGRQHSA-N 1 2 341.839 3.922 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)n1 ZINC000184237332 1127398800 /nfs/dbraw/zinc/39/88/00/1127398800.db2.gz BHQAJDFCNKWTHA-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184468721 1127405429 /nfs/dbraw/zinc/40/54/29/1127405429.db2.gz ALGROYJNMZQGSC-GFCCVEGCSA-N 1 2 349.475 3.547 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184488127 1127406385 /nfs/dbraw/zinc/40/63/85/1127406385.db2.gz DDZCDBBYPHIGKS-ZIAGYGMSSA-N 1 2 337.533 3.882 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cs1 ZINC000184696785 1127411213 /nfs/dbraw/zinc/41/12/13/1127411213.db2.gz AIIGKLNGPAYZLB-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1nc(C(C)(C)C)cs1 ZINC000184499495 1127406739 /nfs/dbraw/zinc/40/67/39/1127406739.db2.gz BMNULWIQCSIDLY-CYBMUJFWSA-N 1 2 345.512 3.993 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)c1nccs1 ZINC000185106580 1127420642 /nfs/dbraw/zinc/42/06/42/1127420642.db2.gz CVZLFOMHXMWYFF-NVXWUHKLSA-N 1 2 349.475 3.836 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000193287312 1127435104 /nfs/dbraw/zinc/43/51/04/1127435104.db2.gz FZZGFLNPUPDRKB-QGZVFWFLSA-N 1 2 339.464 3.514 20 0 EHADLO Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193498673 1127438450 /nfs/dbraw/zinc/43/84/50/1127438450.db2.gz GOOXVTGLUIDLNK-HXUWFJFHSA-N 1 2 348.450 3.968 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2cc(C(F)(F)F)nn2C)c1 ZINC000901779153 1127460350 /nfs/dbraw/zinc/46/03/50/1127460350.db2.gz RBXDWDAVJHJITN-UHFFFAOYSA-N 1 2 331.363 3.584 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001127741011 1127469035 /nfs/dbraw/zinc/46/90/35/1127469035.db2.gz SEHQOQCCXSVRQN-OAHLLOKOSA-N 1 2 343.496 3.648 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001127741011 1127469037 /nfs/dbraw/zinc/46/90/37/1127469037.db2.gz SEHQOQCCXSVRQN-OAHLLOKOSA-N 1 2 343.496 3.648 20 0 EHADLO c1cc(-c2ccccc2)sc1C[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000195599444 1127481350 /nfs/dbraw/zinc/48/13/50/1127481350.db2.gz TVMAGPQJAZTIKY-QGZVFWFLSA-N 1 2 342.508 3.569 20 0 EHADLO c1cc(-c2ccccc2)sc1C[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000195599438 1127481381 /nfs/dbraw/zinc/48/13/81/1127481381.db2.gz TVMAGPQJAZTIKY-KRWDZBQOSA-N 1 2 342.508 3.569 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000765035671 1127565135 /nfs/dbraw/zinc/56/51/35/1127565135.db2.gz BQGDZSLYZMAGNV-IYBDPMFKSA-N 1 2 342.512 3.955 20 0 EHADLO CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000765035671 1127565138 /nfs/dbraw/zinc/56/51/38/1127565138.db2.gz BQGDZSLYZMAGNV-IYBDPMFKSA-N 1 2 342.512 3.955 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765035259 1127565283 /nfs/dbraw/zinc/56/52/83/1127565283.db2.gz DFDQTMHRVAIJIT-QGZVFWFLSA-N 1 2 338.455 3.826 20 0 EHADLO O[C@H](C[N@@H+]1Cc2ccc(Br)cc2C1)c1ccc(F)cc1 ZINC000765055005 1127567712 /nfs/dbraw/zinc/56/77/12/1127567712.db2.gz HSOGMOVSRXLQML-MRXNPFEDSA-N 1 2 336.204 3.637 20 0 EHADLO O[C@H](C[N@H+]1Cc2ccc(Br)cc2C1)c1ccc(F)cc1 ZINC000765055005 1127567715 /nfs/dbraw/zinc/56/77/15/1127567715.db2.gz HSOGMOVSRXLQML-MRXNPFEDSA-N 1 2 336.204 3.637 20 0 EHADLO CN(C)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)c[nH+]1 ZINC000023618982 1127698443 /nfs/dbraw/zinc/69/84/43/1127698443.db2.gz YYQARZRYQZJFRT-UHFFFAOYSA-N 1 2 342.406 3.896 20 0 EHADLO C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)csc2C1 ZINC000023607762 1127698599 /nfs/dbraw/zinc/69/85/99/1127698599.db2.gz CMXOQEMEXKYUDX-SNVBAGLBSA-N 1 2 347.509 3.570 20 0 EHADLO C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)csc2C1 ZINC000023607762 1127698601 /nfs/dbraw/zinc/69/86/01/1127698601.db2.gz CMXOQEMEXKYUDX-SNVBAGLBSA-N 1 2 347.509 3.570 20 0 EHADLO COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889323 1127700757 /nfs/dbraw/zinc/70/07/57/1127700757.db2.gz VPTVUCITVPSQEV-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OC[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728080 1127744828 /nfs/dbraw/zinc/74/48/28/1127744828.db2.gz UINJRPPUBNNPFK-FXAWDEMLSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OC[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000765728080 1127744832 /nfs/dbraw/zinc/74/48/32/1127744832.db2.gz UINJRPPUBNNPFK-FXAWDEMLSA-N 1 2 339.435 3.789 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc(N2CCOC2=O)c1 ZINC000921601676 1127759785 /nfs/dbraw/zinc/75/97/85/1127759785.db2.gz VAJWNTYKJMJVRB-ZDUSSCGKSA-N 1 2 343.427 3.780 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)sc1C ZINC000026904948 1127775099 /nfs/dbraw/zinc/77/50/99/1127775099.db2.gz CEJRBBYRKFLOLJ-VIFPVBQESA-N 1 2 343.905 3.934 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)sc1C ZINC000026904948 1127775102 /nfs/dbraw/zinc/77/51/02/1127775102.db2.gz CEJRBBYRKFLOLJ-VIFPVBQESA-N 1 2 343.905 3.934 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000029913973 1127811016 /nfs/dbraw/zinc/81/10/16/1127811016.db2.gz TXMCHMYEKRBYOZ-DZGCQCFKSA-N 1 2 344.484 3.505 20 0 EHADLO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030606183 1127822768 /nfs/dbraw/zinc/82/27/68/1127822768.db2.gz PRVKESUTQXCYLC-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(C(F)(F)F)s3)ccc2[nH+]1 ZINC000671684669 1127898533 /nfs/dbraw/zinc/89/85/33/1127898533.db2.gz MJXZHUVJEFDHNR-UHFFFAOYSA-N 1 2 325.315 3.975 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(Cl)c1F ZINC000043450238 1127920392 /nfs/dbraw/zinc/92/03/92/1127920392.db2.gz CAVQWPVRSQNYER-UHFFFAOYSA-N 1 2 348.809 3.796 20 0 EHADLO CCc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000043864755 1127928403 /nfs/dbraw/zinc/92/84/03/1127928403.db2.gz IDQHQOSLWDTKFV-YJBOKZPZSA-N 1 2 328.460 3.531 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044437982 1127937211 /nfs/dbraw/zinc/93/72/11/1127937211.db2.gz DFCMCIHNGOEYIN-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044437982 1127937212 /nfs/dbraw/zinc/93/72/12/1127937212.db2.gz DFCMCIHNGOEYIN-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO CCC(=O)Nc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045818354 1127960612 /nfs/dbraw/zinc/96/06/12/1127960612.db2.gz FVSOMUBUQFGKOW-UHFFFAOYSA-N 1 2 348.406 3.532 20 0 EHADLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCC1 ZINC000172450813 1127979828 /nfs/dbraw/zinc/97/98/28/1127979828.db2.gz HPAPVTSJOIVOTB-OAHLLOKOSA-N 1 2 342.443 3.662 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056664849 1128025638 /nfs/dbraw/zinc/02/56/38/1128025638.db2.gz CVYIQQTVTUZDFH-OXJNMPFZSA-N 1 2 348.450 3.972 20 0 EHADLO Cc1ccsc1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894539 1128031294 /nfs/dbraw/zinc/03/12/94/1128031294.db2.gz AWRRPJVHPKQNEX-UHFFFAOYSA-N 1 2 340.452 3.584 20 0 EHADLO CC[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000056894571 1128031801 /nfs/dbraw/zinc/03/18/01/1128031801.db2.gz PXZSQZIAJQIWDC-QGZVFWFLSA-N 1 2 348.450 3.865 20 0 EHADLO CC(C)Oc1ccc(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366253 1128038508 /nfs/dbraw/zinc/03/85/08/1128038508.db2.gz JBSVAVPIVCESIM-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccs2)c1C ZINC000060486508 1128103773 /nfs/dbraw/zinc/10/37/73/1128103773.db2.gz BVWGHYKLGSECMM-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccs2)c1C ZINC000060486508 1128103777 /nfs/dbraw/zinc/10/37/77/1128103777.db2.gz BVWGHYKLGSECMM-UHFFFAOYSA-N 1 2 334.485 3.518 20 0 EHADLO O=C(NCc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603683 1128109730 /nfs/dbraw/zinc/10/97/30/1128109730.db2.gz NOADHUSBMGYSPH-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282229369 1128112633 /nfs/dbraw/zinc/11/26/33/1128112633.db2.gz ZGKYSQRTASOJHU-CQSZACIVSA-N 1 2 338.455 3.535 20 0 EHADLO O=C(c1c(F)cccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239794 1128124107 /nfs/dbraw/zinc/12/41/07/1128124107.db2.gz IIYDIQAYWMODFV-CYBMUJFWSA-N 1 2 345.393 3.517 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000671722317 1128127592 /nfs/dbraw/zinc/12/75/92/1128127592.db2.gz UKKGFTXHLSPWBD-LBPRGKRZSA-N 1 2 346.283 3.621 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282254504 1128132188 /nfs/dbraw/zinc/13/21/88/1128132188.db2.gz JELURJWLQMNSAG-IAGOWNOFSA-N 1 2 327.472 3.672 20 0 EHADLO O=C(CCc1ccc(Cl)cc1Cl)NCCNc1cccc[nH+]1 ZINC000063705409 1128152822 /nfs/dbraw/zinc/15/28/22/1128152822.db2.gz RZVOXTAOLXMQSU-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000065296349 1128187453 /nfs/dbraw/zinc/18/74/53/1128187453.db2.gz NWHFJKTUWSYDHI-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000065296349 1128187455 /nfs/dbraw/zinc/18/74/55/1128187455.db2.gz NWHFJKTUWSYDHI-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000068420124 1128266180 /nfs/dbraw/zinc/26/61/80/1128266180.db2.gz SZCJTODOFWTQTN-ZIAGYGMSSA-N 1 2 343.393 3.759 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000066338329 1128214700 /nfs/dbraw/zinc/21/47/00/1128214700.db2.gz OCVGNYXRBCHSCI-OAHLLOKOSA-N 1 2 330.432 3.662 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000066444170 1128217907 /nfs/dbraw/zinc/21/79/07/1128217907.db2.gz RFZOFBMOFGXLQF-SFHVURJKSA-N 1 2 347.462 3.909 20 0 EHADLO C[C@@H]1CCN(C(=O)CCCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000654893817 1128233018 /nfs/dbraw/zinc/23/30/18/1128233018.db2.gz VBHAXDSGTLVURP-RDTXWAMCSA-N 1 2 347.409 3.594 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401051 1128240912 /nfs/dbraw/zinc/24/09/12/1128240912.db2.gz WOPQPMFZOFLDTI-YVEFUNNKSA-N 1 2 349.862 3.792 20 0 EHADLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069065520 1128281933 /nfs/dbraw/zinc/28/19/33/1128281933.db2.gz LVGOBEBEUJUFCL-GJZGRUSLSA-N 1 2 330.428 3.501 20 0 EHADLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069065520 1128281934 /nfs/dbraw/zinc/28/19/34/1128281934.db2.gz LVGOBEBEUJUFCL-GJZGRUSLSA-N 1 2 330.428 3.501 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069065523 1128282021 /nfs/dbraw/zinc/28/20/21/1128282021.db2.gz LVGOBEBEUJUFCL-CABCVRRESA-N 1 2 330.428 3.501 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069065523 1128282022 /nfs/dbraw/zinc/28/20/22/1128282022.db2.gz LVGOBEBEUJUFCL-CABCVRRESA-N 1 2 330.428 3.501 20 0 EHADLO Cc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1Cl ZINC000072581956 1128301722 /nfs/dbraw/zinc/30/17/22/1128301722.db2.gz ACKSDJMJPSTREI-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C=C(C)C ZINC000073841074 1128329998 /nfs/dbraw/zinc/32/99/98/1128329998.db2.gz ZHWCAVKAAAKCET-UHFFFAOYSA-N 1 2 341.455 3.667 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccnc2Cl)cc1 ZINC000073987080 1128333192 /nfs/dbraw/zinc/33/31/92/1128333192.db2.gz PCCDPIRDJPDPEK-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccnc2Cl)cc1 ZINC000073987080 1128333197 /nfs/dbraw/zinc/33/31/97/1128333197.db2.gz PCCDPIRDJPDPEK-MRXNPFEDSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2occ3c2CCC3)c(C)c1 ZINC000671781339 1128350957 /nfs/dbraw/zinc/35/09/57/1128350957.db2.gz PYBJGXQRCCXIDN-IBGZPJMESA-N 1 2 349.434 3.753 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C ZINC001168608616 1128352098 /nfs/dbraw/zinc/35/20/98/1128352098.db2.gz LGVNVDPFOPAERH-SZMVWBNQSA-N 1 2 349.471 3.625 20 0 EHADLO FCC[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000624652941 1128419183 /nfs/dbraw/zinc/41/91/83/1128419183.db2.gz VPUZNCVMIRQLLF-CYBMUJFWSA-N 1 2 339.208 3.562 20 0 EHADLO C[NH+](C)[C@@H](c1nc(C2(c3cccc(F)c3)CC2)no1)c1ccccc1 ZINC000624669017 1128424698 /nfs/dbraw/zinc/42/46/98/1128424698.db2.gz VUNOJBNXGYPAKW-QGZVFWFLSA-N 1 2 337.398 3.940 20 0 EHADLO C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCCC1)Cn1cc[nH+]c1 ZINC000153490423 1128431841 /nfs/dbraw/zinc/43/18/41/1128431841.db2.gz CVRMQKCYFVQMNA-HNNXBMFYSA-N 1 2 345.874 3.801 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3ccc(OC(F)F)c(F)c3)cc2[nH+]1 ZINC000338670763 1128438013 /nfs/dbraw/zinc/43/80/13/1128438013.db2.gz WNRRQUVNFSMAAA-UHFFFAOYSA-N 1 2 335.285 3.864 20 0 EHADLO CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCO1 ZINC000921663871 1128441474 /nfs/dbraw/zinc/44/14/74/1128441474.db2.gz TWDIPCPTFYNBPG-WBVHZDCISA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCc4n[nH]cc4[C@H]3C)cc2)[nH+]c1C ZINC000921667526 1128447147 /nfs/dbraw/zinc/44/71/47/1128447147.db2.gz IEGUHVPRMRADHQ-MEDUHNTESA-N 1 2 349.438 3.721 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3c4c[nH]nc4CC[C@@H]3C)cc2)[nH+]c1C ZINC000921668460 1128448504 /nfs/dbraw/zinc/44/85/04/1128448504.db2.gz QISAOFASHNLUQU-VOJFVSQTSA-N 1 2 349.438 3.721 20 0 EHADLO O=C(c1ccccc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282283393 1128501920 /nfs/dbraw/zinc/50/19/20/1128501920.db2.gz KXEDFSLDEVZBKV-CQSZACIVSA-N 1 2 343.858 3.893 20 0 EHADLO C[C@@H]1C[C@H](CO)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000624728213 1128508999 /nfs/dbraw/zinc/50/89/99/1128508999.db2.gz WYJSRMZXHCKVPS-VXGBXAGGSA-N 1 2 335.245 3.595 20 0 EHADLO c1ccc(OC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)cc1 ZINC000347649260 1128512719 /nfs/dbraw/zinc/51/27/19/1128512719.db2.gz IGQANZQSVHUORW-SFHVURJKSA-N 1 2 334.423 3.592 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056638116 1128571888 /nfs/dbraw/zinc/57/18/88/1128571888.db2.gz KMBYHHCRNILBLK-UHFFFAOYSA-N 1 2 330.432 3.581 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465740466 1128611549 /nfs/dbraw/zinc/61/15/49/1128611549.db2.gz MRPMTAJMTJKDDP-FUHWJXTLSA-N 1 2 340.471 3.983 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000672082593 1128684279 /nfs/dbraw/zinc/68/42/79/1128684279.db2.gz CKDMOEGJVHYSHW-IBGZPJMESA-N 1 2 347.409 3.752 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2ccc(Cl)s2)C2CC2)c(F)c1 ZINC000428838966 1128690669 /nfs/dbraw/zinc/69/06/69/1128690669.db2.gz ILLWDLJYCKHSST-UHFFFAOYSA-N 1 2 338.835 3.804 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(Cl)s2)C2CC2)c(F)c1 ZINC000428838966 1128690671 /nfs/dbraw/zinc/69/06/71/1128690671.db2.gz ILLWDLJYCKHSST-UHFFFAOYSA-N 1 2 338.835 3.804 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)CCCOC ZINC000303855859 1128703740 /nfs/dbraw/zinc/70/37/40/1128703740.db2.gz LNJSPCHSBDXPKO-UHFFFAOYSA-N 1 2 330.428 3.501 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1nc(C2CC2)no1 ZINC000921741330 1128707388 /nfs/dbraw/zinc/70/73/88/1128707388.db2.gz RWMLOXMDCXZWKP-SJCJKPOMSA-N 1 2 327.428 3.757 20 0 EHADLO O=C(Nc1ncc(-c2ccccc2F)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000338706230 1128725576 /nfs/dbraw/zinc/72/55/76/1128725576.db2.gz LSNKAXRKMFRKJC-CQSZACIVSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1ncc(-c2ccccc2F)s1)[C@H]1CCC[N@H+]1C1CC1 ZINC000338706230 1128725580 /nfs/dbraw/zinc/72/55/80/1128725580.db2.gz LSNKAXRKMFRKJC-CQSZACIVSA-N 1 2 331.416 3.515 20 0 EHADLO CCc1cccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cn2)c1 ZINC000338733907 1128783434 /nfs/dbraw/zinc/78/34/34/1128783434.db2.gz LIFIZISUTZROOR-UHFFFAOYSA-N 1 2 336.395 3.662 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Sc1ccccc1 ZINC000672147186 1128799935 /nfs/dbraw/zinc/79/99/35/1128799935.db2.gz ISVXCUKTQJMZEC-OAHLLOKOSA-N 1 2 349.459 3.779 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c(C)n1C1CCCCC1 ZINC000672154466 1128818686 /nfs/dbraw/zinc/81/86/86/1128818686.db2.gz MODLCQGLICONPE-INIZCTEOSA-N 1 2 340.471 3.551 20 0 EHADLO CCC(CC)C(=O)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672160929 1128824682 /nfs/dbraw/zinc/82/46/82/1128824682.db2.gz SCJTWUGKXONAOB-UHFFFAOYSA-N 1 2 345.874 3.973 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000357151277 1128825237 /nfs/dbraw/zinc/82/52/37/1128825237.db2.gz RQDDDMNLTHSBHJ-ZDUSSCGKSA-N 1 2 346.862 3.525 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N3CC(Oc4cc[nH+]cc4)C3)c2c1 ZINC000672160455 1128826090 /nfs/dbraw/zinc/82/60/90/1128826090.db2.gz WVRMYOYHHXTENN-UHFFFAOYSA-N 1 2 336.391 3.855 20 0 EHADLO CN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000074869036 1128829188 /nfs/dbraw/zinc/82/91/88/1128829188.db2.gz SWVUDHSNTHOKTB-GOSISDBHSA-N 1 2 340.471 3.678 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cnc(C)c(C)c3)cn2c1 ZINC000921883961 1128877057 /nfs/dbraw/zinc/87/70/57/1128877057.db2.gz ZYFJYKKFJPCQPM-UHFFFAOYSA-N 1 2 340.452 3.526 20 0 EHADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ncoc2C(C)C)CC1 ZINC000092802808 1120027755 /nfs/dbraw/zinc/02/77/55/1120027755.db2.gz SEIOMJHWPLUTBB-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO C[C@@H]1CCCCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC001670371330 1120043529 /nfs/dbraw/zinc/04/35/29/1120043529.db2.gz PKEOFJDEDGLTLZ-CQSZACIVSA-N 1 2 326.444 3.955 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371725 1120044481 /nfs/dbraw/zinc/04/44/81/1120044481.db2.gz WUXIVJJZOFNFMC-APWZRJJASA-N 1 2 326.444 3.857 20 0 EHADLO O=C(CNc1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000063643847 1128890290 /nfs/dbraw/zinc/89/02/90/1128890290.db2.gz LJNGRPPCSNKWIS-UHFFFAOYSA-N 1 2 326.787 3.576 20 0 EHADLO CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000109931183 1120128766 /nfs/dbraw/zinc/12/87/66/1120128766.db2.gz HADWMXPNVNNFOF-CQSZACIVSA-N 1 2 333.391 3.566 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000354985004 1128893054 /nfs/dbraw/zinc/89/30/54/1128893054.db2.gz XHDJMVHMKJMBBE-HNNXBMFYSA-N 1 2 349.360 3.659 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000354985004 1128893059 /nfs/dbraw/zinc/89/30/59/1128893059.db2.gz XHDJMVHMKJMBBE-HNNXBMFYSA-N 1 2 349.360 3.659 20 0 EHADLO Cc1sc(CNc2ccc(N(C)C)[nH+]c2)cc1Br ZINC000227788687 1120182435 /nfs/dbraw/zinc/18/24/35/1120182435.db2.gz ZGBFFMDFROLLAF-UHFFFAOYSA-N 1 2 326.263 3.892 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376131406 1120205386 /nfs/dbraw/zinc/20/53/86/1120205386.db2.gz OYLSSDOYJNVFDZ-DLBZAZTESA-N 1 2 349.837 3.545 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376131406 1120205390 /nfs/dbraw/zinc/20/53/90/1120205390.db2.gz OYLSSDOYJNVFDZ-DLBZAZTESA-N 1 2 349.837 3.545 20 0 EHADLO Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cn2ccsc2n1 ZINC001648941790 1120240758 /nfs/dbraw/zinc/24/07/58/1120240758.db2.gz WZQQHIORVUZERS-UHFFFAOYSA-N 1 2 327.240 3.575 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000355257182 1128909851 /nfs/dbraw/zinc/90/98/51/1128909851.db2.gz QDGKXPYUMXDOGA-UHFFFAOYSA-N 1 2 337.448 3.642 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cnc3ccccc3n2)c(Br)c1 ZINC000589837786 1120360159 /nfs/dbraw/zinc/36/01/59/1120360159.db2.gz FDIXWUUIDLSYLZ-UHFFFAOYSA-N 1 2 346.203 3.821 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168464457 1120493662 /nfs/dbraw/zinc/49/36/62/1120493662.db2.gz GQDDESSXSKECCL-QRWLVFNGSA-N 1 2 329.415 3.521 20 0 EHADLO COC(=O)c1ccccc1CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187352464 1120495137 /nfs/dbraw/zinc/49/51/37/1120495137.db2.gz BZKMZTURQDLVCM-UHFFFAOYSA-N 1 2 334.419 3.555 20 0 EHADLO COC(=O)c1ccccc1CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187352464 1120495138 /nfs/dbraw/zinc/49/51/38/1120495138.db2.gz BZKMZTURQDLVCM-UHFFFAOYSA-N 1 2 334.419 3.555 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000494267643 1120524647 /nfs/dbraw/zinc/52/46/47/1120524647.db2.gz IGUNGCQZUDUQED-XYOKQWHBSA-N 1 2 325.334 3.710 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000494267643 1120524650 /nfs/dbraw/zinc/52/46/50/1120524650.db2.gz IGUNGCQZUDUQED-XYOKQWHBSA-N 1 2 325.334 3.710 20 0 EHADLO CCc1ccc([C@H](CC)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393350013 1120532859 /nfs/dbraw/zinc/53/28/59/1120532859.db2.gz UNXTWDOLUZKEQX-HNNXBMFYSA-N 1 2 336.277 3.986 20 0 EHADLO CCCCOc1ccccc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191749310 1120691928 /nfs/dbraw/zinc/69/19/28/1120691928.db2.gz VBCAFMWKDZALAU-SFHVURJKSA-N 1 2 345.512 3.889 20 0 EHADLO CCCCOc1ccccc1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191749310 1120691931 /nfs/dbraw/zinc/69/19/31/1120691931.db2.gz VBCAFMWKDZALAU-SFHVURJKSA-N 1 2 345.512 3.889 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494661076 1120715546 /nfs/dbraw/zinc/71/55/46/1120715546.db2.gz JDAULPIBTKQLAO-GOSISDBHSA-N 1 2 332.488 3.589 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494661076 1120715549 /nfs/dbraw/zinc/71/55/49/1120715549.db2.gz JDAULPIBTKQLAO-GOSISDBHSA-N 1 2 332.488 3.589 20 0 EHADLO Cc1cc(OCC(=O)Nc2cc(F)ccc2F)c2ccccc2[nH+]1 ZINC000192192121 1120723467 /nfs/dbraw/zinc/72/34/67/1120723467.db2.gz RJXDNQLXYCZWTR-UHFFFAOYSA-N 1 2 328.318 3.839 20 0 EHADLO CC(=O)CCc1ccc(OCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000192818100 1120750474 /nfs/dbraw/zinc/75/04/74/1120750474.db2.gz RLBRFDKJPGNDLY-UHFFFAOYSA-N 1 2 340.423 3.546 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CCC(C)CC3)cn2c1 ZINC000195638576 1120801299 /nfs/dbraw/zinc/80/12/99/1120801299.db2.gz OJZOOTGRSZWADB-UHFFFAOYSA-N 1 2 345.512 3.818 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nc(C3CC3)cs2)c1C ZINC000194633204 1120852348 /nfs/dbraw/zinc/85/23/48/1120852348.db2.gz IHPYIJNEXRFERM-UHFFFAOYSA-N 1 2 346.456 3.705 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000194954880 1120872994 /nfs/dbraw/zinc/87/29/94/1120872994.db2.gz QMCMRVWAXNMKID-SFHVURJKSA-N 1 2 334.822 3.636 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000494940625 1120912345 /nfs/dbraw/zinc/91/23/45/1120912345.db2.gz STJYOZZGLXPMJW-ZDUSSCGKSA-N 1 2 338.249 3.893 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000494940625 1120912348 /nfs/dbraw/zinc/91/23/48/1120912348.db2.gz STJYOZZGLXPMJW-ZDUSSCGKSA-N 1 2 338.249 3.893 20 0 EHADLO CCc1noc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157023975 1128949551 /nfs/dbraw/zinc/94/95/51/1128949551.db2.gz BBCNZVUFAGDKQO-ZDUSSCGKSA-N 1 2 335.835 3.576 20 0 EHADLO CCc1noc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157023975 1128949554 /nfs/dbraw/zinc/94/95/54/1128949554.db2.gz BBCNZVUFAGDKQO-ZDUSSCGKSA-N 1 2 335.835 3.576 20 0 EHADLO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)s1 ZINC000542530453 1120925025 /nfs/dbraw/zinc/92/50/25/1120925025.db2.gz FBLWWNYAUMAUQL-XHDPSFHLSA-N 1 2 340.452 3.640 20 0 EHADLO CCc1cccc(CC)c1NC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761839468 1120982623 /nfs/dbraw/zinc/98/26/23/1120982623.db2.gz URGQFPABIUWWQQ-UHFFFAOYSA-N 1 2 338.480 3.946 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccccc2F)n(C)c1=S)C1CC1 ZINC000914783944 1120985262 /nfs/dbraw/zinc/98/52/62/1120985262.db2.gz KWYBKWDWGHPVTN-UHFFFAOYSA-N 1 2 334.464 3.979 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccccc2F)n(C)c1=S)C1CC1 ZINC000914783944 1120985265 /nfs/dbraw/zinc/98/52/65/1120985265.db2.gz KWYBKWDWGHPVTN-UHFFFAOYSA-N 1 2 334.464 3.979 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000914789944 1120989000 /nfs/dbraw/zinc/98/90/00/1120989000.db2.gz DVBNTXMGPKGRTD-AWEZNQCLSA-N 1 2 335.835 3.890 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000914789944 1120989002 /nfs/dbraw/zinc/98/90/02/1120989002.db2.gz DVBNTXMGPKGRTD-AWEZNQCLSA-N 1 2 335.835 3.890 20 0 EHADLO CSc1c[nH]c2nc[nH+]c(N[C@@H](c3ccccn3)C(F)(F)F)c12 ZINC001168481010 1120992999 /nfs/dbraw/zinc/99/29/99/1120992999.db2.gz PMDQQVSYOGRCGO-NSHDSACASA-N 1 2 339.346 3.790 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000761935518 1121012105 /nfs/dbraw/zinc/01/21/05/1121012105.db2.gz ZWPIPSQMFFHGTH-UHFFFAOYSA-N 1 2 346.452 3.618 20 0 EHADLO CCc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)s1 ZINC000393367446 1121124140 /nfs/dbraw/zinc/12/41/40/1121124140.db2.gz GYTMPFRQUBTTCG-VIFPVBQESA-N 1 2 328.279 3.657 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000303640984 1121168859 /nfs/dbraw/zinc/16/88/59/1121168859.db2.gz QYIBVXBOGDGWOD-JFIYKMOQSA-N 1 2 332.488 3.601 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000303640984 1121168864 /nfs/dbraw/zinc/16/88/64/1121168864.db2.gz QYIBVXBOGDGWOD-JFIYKMOQSA-N 1 2 332.488 3.601 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=O)c2ccccc12 ZINC000915209949 1121254578 /nfs/dbraw/zinc/25/45/78/1121254578.db2.gz QWIFKLGSCPIBLA-URLQWDBASA-N 1 2 325.456 3.563 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=O)c2ccccc12 ZINC000915209949 1121254582 /nfs/dbraw/zinc/25/45/82/1121254582.db2.gz QWIFKLGSCPIBLA-URLQWDBASA-N 1 2 325.456 3.563 20 0 EHADLO C[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C[C@H]1CCCO1 ZINC000338780436 1128976677 /nfs/dbraw/zinc/97/66/77/1128976677.db2.gz CMIXXWOXVDCTIK-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C[C@H]1CCCO1 ZINC000338780436 1128976681 /nfs/dbraw/zinc/97/66/81/1128976681.db2.gz CMIXXWOXVDCTIK-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO CN(C)c1cc(COc2ccc(F)c(Br)c2)cc[nH+]1 ZINC000762476561 1121320595 /nfs/dbraw/zinc/32/05/95/1121320595.db2.gz FIYYMIFUZBHVEI-UHFFFAOYSA-N 1 2 325.181 3.628 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)s1 ZINC000193470493 1121338941 /nfs/dbraw/zinc/33/89/41/1121338941.db2.gz LQVYSRJEZJKRCK-KBPBESRZSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)s1 ZINC000193470493 1121338950 /nfs/dbraw/zinc/33/89/50/1121338950.db2.gz LQVYSRJEZJKRCK-KBPBESRZSA-N 1 2 343.496 3.640 20 0 EHADLO Cn1c(=S)n(C[NH+]2CCC3(CCCC3)CC2)nc1-c1cccnc1 ZINC000153588640 1121372130 /nfs/dbraw/zinc/37/21/30/1121372130.db2.gz XZKKFRQAGIWITH-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO CC(C)C(=O)Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000236844973 1121465594 /nfs/dbraw/zinc/46/55/94/1121465594.db2.gz YREPMOKHFUZNLQ-UHFFFAOYSA-N 1 2 338.455 3.757 20 0 EHADLO Nc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000094049702 1121484300 /nfs/dbraw/zinc/48/43/00/1121484300.db2.gz OEXNEVISIVCMIU-JTQLQIEISA-N 1 2 337.183 3.806 20 0 EHADLO Nc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000094049702 1121484304 /nfs/dbraw/zinc/48/43/04/1121484304.db2.gz OEXNEVISIVCMIU-JTQLQIEISA-N 1 2 337.183 3.806 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000113261030 1128992722 /nfs/dbraw/zinc/99/27/22/1128992722.db2.gz WBAHCPNEXDRASN-MRXNPFEDSA-N 1 2 343.492 3.751 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000113261030 1128992727 /nfs/dbraw/zinc/99/27/27/1128992727.db2.gz WBAHCPNEXDRASN-MRXNPFEDSA-N 1 2 343.492 3.751 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000495854049 1121546416 /nfs/dbraw/zinc/54/64/16/1121546416.db2.gz CVINLDWXJGMBMK-HIFRSBDPSA-N 1 2 346.475 3.544 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1cnc(C3CC3)o1)O[C@@H](C)C2 ZINC000648822528 1121565338 /nfs/dbraw/zinc/56/53/38/1121565338.db2.gz NIOCQFBIQOKRHL-LBPRGKRZSA-N 1 2 328.412 3.564 20 0 EHADLO O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000074830006 1121712953 /nfs/dbraw/zinc/71/29/53/1121712953.db2.gz MDFZVHHVGDITRF-UHFFFAOYSA-N 1 2 327.771 3.748 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000356802612 1129010075 /nfs/dbraw/zinc/01/00/75/1129010075.db2.gz QBOBBQPEAPOPLG-UHFFFAOYSA-N 1 2 347.827 3.748 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077347642 1129016272 /nfs/dbraw/zinc/01/62/72/1129016272.db2.gz JYESRXMKQDPJRJ-INIZCTEOSA-N 1 2 342.487 3.945 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c1=S ZINC000763244520 1121921422 /nfs/dbraw/zinc/92/14/22/1121921422.db2.gz VWNBKBPIMUHYPQ-QGZVFWFLSA-N 1 2 330.501 3.955 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c1=S ZINC000763244520 1121921426 /nfs/dbraw/zinc/92/14/26/1121921426.db2.gz VWNBKBPIMUHYPQ-QGZVFWFLSA-N 1 2 330.501 3.955 20 0 EHADLO CCCOc1ccc(Br)cc1C[NH2+]Cc1cnc(C)o1 ZINC000397942025 1121950422 /nfs/dbraw/zinc/95/04/22/1121950422.db2.gz KECXMMUXEQQCKC-UHFFFAOYSA-N 1 2 339.233 3.824 20 0 EHADLO Fc1cccc(Cc2nn(C[N@@H+]3CC[C@H](C4CC4)C3)c(=S)o2)c1 ZINC000763336086 1121967843 /nfs/dbraw/zinc/96/78/43/1121967843.db2.gz YPEUFEWXSKCWTJ-AWEZNQCLSA-N 1 2 333.432 3.625 20 0 EHADLO Fc1cccc(Cc2nn(C[N@H+]3CC[C@H](C4CC4)C3)c(=S)o2)c1 ZINC000763336086 1121967845 /nfs/dbraw/zinc/96/78/45/1121967845.db2.gz YPEUFEWXSKCWTJ-AWEZNQCLSA-N 1 2 333.432 3.625 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@@H](C4CC4)C3)c(=S)n2C)c1 ZINC000763336140 1121967889 /nfs/dbraw/zinc/96/78/89/1121967889.db2.gz ZFXCVJNDULSBGL-MRXNPFEDSA-N 1 2 328.485 3.616 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@@H](C4CC4)C3)c(=S)n2C)c1 ZINC000763336140 1121967891 /nfs/dbraw/zinc/96/78/91/1121967891.db2.gz ZFXCVJNDULSBGL-MRXNPFEDSA-N 1 2 328.485 3.616 20 0 EHADLO COC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1F ZINC000672611401 1129022726 /nfs/dbraw/zinc/02/27/26/1129022726.db2.gz ABWRRVMSGHMZJF-QGZVFWFLSA-N 1 2 347.821 3.875 20 0 EHADLO COc1cc(C[NH2+]Cc2nc(C)c3ccccc3n2)ccc1Cl ZINC001649033237 1122227580 /nfs/dbraw/zinc/22/75/80/1122227580.db2.gz HHZAJUFCKCIOFC-UHFFFAOYSA-N 1 2 327.815 3.890 20 0 EHADLO CC(C)COC(=O)Nc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000497120825 1122340997 /nfs/dbraw/zinc/34/09/97/1122340997.db2.gz SRUIIONMRJLTJN-CQSZACIVSA-N 1 2 344.415 3.677 20 0 EHADLO Cc1cc(NC(=O)c2c[nH]c3cccc(Br)c23)cc[nH+]1 ZINC000126032241 1122381415 /nfs/dbraw/zinc/38/14/15/1122381415.db2.gz JKEHQOQXZNZIHW-UHFFFAOYSA-N 1 2 330.185 3.886 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126716498 1122420753 /nfs/dbraw/zinc/42/07/53/1122420753.db2.gz LLFHDYHMKGBBKY-UHFFFAOYSA-N 1 2 343.858 3.584 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127104415 1122462018 /nfs/dbraw/zinc/46/20/18/1122462018.db2.gz DKWFFLRECSKARB-IRXDYDNUSA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127104415 1122462020 /nfs/dbraw/zinc/46/20/20/1122462020.db2.gz DKWFFLRECSKARB-IRXDYDNUSA-N 1 2 349.356 3.671 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000066562724 1122474773 /nfs/dbraw/zinc/47/47/73/1122474773.db2.gz PGJKZCYMQYAZSJ-UKRRQHHQSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000066562724 1122474775 /nfs/dbraw/zinc/47/47/75/1122474775.db2.gz PGJKZCYMQYAZSJ-UKRRQHHQSA-N 1 2 331.485 3.594 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127386568 1122480872 /nfs/dbraw/zinc/48/08/72/1122480872.db2.gz XHXCSTWCINEMIW-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127386568 1122480875 /nfs/dbraw/zinc/48/08/75/1122480875.db2.gz XHXCSTWCINEMIW-ZWKOTPCHSA-N 1 2 348.368 3.588 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127859460 1122511686 /nfs/dbraw/zinc/51/16/86/1122511686.db2.gz WGARIBISQRXWJT-INIZCTEOSA-N 1 2 329.350 3.890 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(F)cc1F ZINC000067554938 1122520989 /nfs/dbraw/zinc/52/09/89/1122520989.db2.gz REZHHWMOECMEIB-UHFFFAOYSA-N 1 2 346.312 3.611 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1nc2n(c1=S)CCCCC2 ZINC000917437477 1122602514 /nfs/dbraw/zinc/60/25/14/1122602514.db2.gz WATCZEKVFOAOMM-UHFFFAOYSA-N 1 2 330.501 3.929 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1nc2n(c1=S)CCCCC2 ZINC000917437477 1122602518 /nfs/dbraw/zinc/60/25/18/1122602518.db2.gz WATCZEKVFOAOMM-UHFFFAOYSA-N 1 2 330.501 3.929 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430340 1122606377 /nfs/dbraw/zinc/60/63/77/1122606377.db2.gz IALSNKHYUAZKJB-OAHLLOKOSA-N 1 2 336.435 3.817 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430340 1122606380 /nfs/dbraw/zinc/60/63/80/1122606380.db2.gz IALSNKHYUAZKJB-OAHLLOKOSA-N 1 2 336.435 3.817 20 0 EHADLO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2cccs2)oc1=O)c1ccccc1 ZINC000917432753 1122607353 /nfs/dbraw/zinc/60/73/53/1122607353.db2.gz QIJFBIIVBHEROQ-HNNXBMFYSA-N 1 2 343.452 3.899 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128526481 1122616340 /nfs/dbraw/zinc/61/63/40/1122616340.db2.gz WOOCINMNZDOWGJ-QGZVFWFLSA-N 1 2 342.508 3.895 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cncc3ccccc32)n1 ZINC000917631534 1122658817 /nfs/dbraw/zinc/65/88/17/1122658817.db2.gz QOXHVHVOTPHINB-UHFFFAOYSA-N 1 2 340.452 3.785 20 0 EHADLO CCc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000672773926 1129069395 /nfs/dbraw/zinc/06/93/95/1129069395.db2.gz ZZPIQBSOZHDMMI-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO C/C(=C/C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000917685789 1122663925 /nfs/dbraw/zinc/66/39/25/1122663925.db2.gz MESXHWOGDXBGRY-VKAVYKQESA-N 1 2 335.451 3.792 20 0 EHADLO c1sc(C2CCCC2)nc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000069193543 1122756732 /nfs/dbraw/zinc/75/67/32/1122756732.db2.gz LNNWAFSIQARDPF-UHFFFAOYSA-N 1 2 342.512 3.514 20 0 EHADLO CCCc1sc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1CC ZINC000498129406 1122776200 /nfs/dbraw/zinc/77/62/00/1122776200.db2.gz KSCUURSPVWSABL-UHFFFAOYSA-N 1 2 345.512 3.768 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000556102589 1122815039 /nfs/dbraw/zinc/81/50/39/1122815039.db2.gz KYVHXTPZIIXMJK-LLVKDONJSA-N 1 2 329.341 3.970 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000556102589 1122815046 /nfs/dbraw/zinc/81/50/46/1122815046.db2.gz KYVHXTPZIIXMJK-LLVKDONJSA-N 1 2 329.341 3.970 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000672825440 1129080170 /nfs/dbraw/zinc/08/01/70/1129080170.db2.gz DXWWGKWLAAMPTR-INIZCTEOSA-N 1 2 349.438 3.560 20 0 EHADLO C[S@@](=O)c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000130130165 1122893413 /nfs/dbraw/zinc/89/34/13/1122893413.db2.gz YCQOYJGQNDIOFJ-QHCPKHFHSA-N 1 2 335.419 3.867 20 0 EHADLO C[S@@](=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000130130165 1122893417 /nfs/dbraw/zinc/89/34/17/1122893417.db2.gz YCQOYJGQNDIOFJ-QHCPKHFHSA-N 1 2 335.419 3.867 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1CC ZINC000444958155 1122903022 /nfs/dbraw/zinc/90/30/22/1122903022.db2.gz JVWLFPJPJKOYDZ-QGZVFWFLSA-N 1 2 340.471 3.956 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000556262570 1122905185 /nfs/dbraw/zinc/90/51/85/1122905185.db2.gz AMBCGFPPTFHSHH-SJKOYZFVSA-N 1 2 331.366 3.651 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc2ccc(O)cc21 ZINC000498431397 1122919164 /nfs/dbraw/zinc/91/91/64/1122919164.db2.gz VIUXGGWEUXCGTQ-RDTXWAMCSA-N 1 2 347.418 3.651 20 0 EHADLO Cc1ccc(F)c(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001128329821 1129091680 /nfs/dbraw/zinc/09/16/80/1129091680.db2.gz POFKMVJPNLBNMA-OAHLLOKOSA-N 1 2 346.471 3.644 20 0 EHADLO O=C(CCc1ccccc1O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072075871 1123044991 /nfs/dbraw/zinc/04/49/91/1123044991.db2.gz VMISYHIDZZHDJC-UHFFFAOYSA-N 1 2 341.798 3.803 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)CCN1CC(F)F ZINC000498903712 1123104926 /nfs/dbraw/zinc/10/49/26/1123104926.db2.gz BCMUPUJCZZTPJS-CYBMUJFWSA-N 1 2 332.822 3.510 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)CCN1CC(F)F ZINC000498903712 1123104928 /nfs/dbraw/zinc/10/49/28/1123104928.db2.gz BCMUPUJCZZTPJS-CYBMUJFWSA-N 1 2 332.822 3.510 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000131481226 1123119589 /nfs/dbraw/zinc/11/95/89/1123119589.db2.gz CNTLWNSJYBBHDD-XLIONFOSSA-N 1 2 345.446 3.962 20 0 EHADLO CC(C)(C)Oc1ccncc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000131831622 1123184270 /nfs/dbraw/zinc/18/42/70/1123184270.db2.gz DVBMWDHYPKTVRF-UHFFFAOYSA-N 1 2 336.395 3.697 20 0 EHADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000131959487 1123193484 /nfs/dbraw/zinc/19/34/84/1123193484.db2.gz HATXVUUOPHLWAJ-KRWDZBQOSA-N 1 2 344.503 3.548 20 0 EHADLO CC(C)C[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000132048148 1123197474 /nfs/dbraw/zinc/19/74/74/1123197474.db2.gz XOYQRCBZQXUXPQ-IBGZPJMESA-N 1 2 340.471 3.652 20 0 EHADLO CCC(CC)CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000132464880 1123232369 /nfs/dbraw/zinc/23/23/69/1123232369.db2.gz LXJUTBDJARHIHS-UHFFFAOYSA-N 1 2 331.504 3.973 20 0 EHADLO CC(C)[N@@H+](Cc1cccc(F)c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000919954722 1123245320 /nfs/dbraw/zinc/24/53/20/1123245320.db2.gz YHKXHDWHWZXBTB-UHFFFAOYSA-N 1 2 346.446 3.703 20 0 EHADLO CC(C)[N@H+](Cc1cccc(F)c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000919954722 1123245322 /nfs/dbraw/zinc/24/53/22/1123245322.db2.gz YHKXHDWHWZXBTB-UHFFFAOYSA-N 1 2 346.446 3.703 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)c1C ZINC000132977129 1123324715 /nfs/dbraw/zinc/32/47/15/1123324715.db2.gz OJTBVKLGVRZQLV-PXNSSMCTSA-N 1 2 337.467 3.816 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021124 1129116833 /nfs/dbraw/zinc/11/68/33/1129116833.db2.gz IIFNYPDYGPMPOE-XNJJOIOASA-N 1 2 342.405 3.648 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021124 1129116834 /nfs/dbraw/zinc/11/68/34/1129116834.db2.gz IIFNYPDYGPMPOE-XNJJOIOASA-N 1 2 342.405 3.648 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc3nc(C)cc(C)n3c2=S)CC1 ZINC000921046324 1123458704 /nfs/dbraw/zinc/45/87/04/1123458704.db2.gz NPZSIWJDBIMNST-UHFFFAOYSA-N 1 2 333.505 3.735 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc3nc(C)cc(C)n3c2=S)CC1 ZINC000921046324 1123458705 /nfs/dbraw/zinc/45/87/05/1123458705.db2.gz NPZSIWJDBIMNST-UHFFFAOYSA-N 1 2 333.505 3.735 20 0 EHADLO CCC1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000921244670 1123498066 /nfs/dbraw/zinc/49/80/66/1123498066.db2.gz OJIWMJCBOQWGDB-UHFFFAOYSA-N 1 2 340.471 3.888 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)[C@@H]1C ZINC000174955137 1123561552 /nfs/dbraw/zinc/56/15/52/1123561552.db2.gz UCSHRLMMBGFJGJ-ZIAGYGMSSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)[C@@H]1C ZINC000174955137 1123561555 /nfs/dbraw/zinc/56/15/55/1123561555.db2.gz UCSHRLMMBGFJGJ-ZIAGYGMSSA-N 1 2 328.485 3.968 20 0 EHADLO CCCC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000135235434 1123593781 /nfs/dbraw/zinc/59/37/81/1123593781.db2.gz YLKLKGGMRUSJOF-GBESFXJTSA-N 1 2 333.472 3.784 20 0 EHADLO NC(=[NH+]OCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000064387870 1123594939 /nfs/dbraw/zinc/59/49/39/1123594939.db2.gz ULPNVTODZUYPDU-UHFFFAOYSA-N 1 2 345.374 3.925 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609537081 1123606038 /nfs/dbraw/zinc/60/60/38/1123606038.db2.gz VFDGWUHKLZPWIX-WOJBJXKFSA-N 1 2 339.435 3.754 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609537081 1123606040 /nfs/dbraw/zinc/60/60/40/1123606040.db2.gz VFDGWUHKLZPWIX-WOJBJXKFSA-N 1 2 339.435 3.754 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000615333488 1123782676 /nfs/dbraw/zinc/78/26/76/1123782676.db2.gz CUWDUGHBHLUYCF-KGLIPLIRSA-N 1 2 332.394 3.629 20 0 EHADLO Cc1sc2[nH]c(C[NH2+]C3(c4ccccc4F)CC3)nc(=O)c2c1C ZINC000179660125 1123819725 /nfs/dbraw/zinc/81/97/25/1123819725.db2.gz IEQGVXVLDVWFGZ-UHFFFAOYSA-N 1 2 343.427 3.519 20 0 EHADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179702004 1123823386 /nfs/dbraw/zinc/82/33/86/1123823386.db2.gz RWQVPMQMGSDAPW-QGZVFWFLSA-N 1 2 341.798 3.588 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3c(C4CCC4)cnn3C)ccc21 ZINC000615559095 1123826958 /nfs/dbraw/zinc/82/69/58/1123826958.db2.gz VGYDNHDUNNTFOQ-UHFFFAOYSA-N 1 2 349.438 3.554 20 0 EHADLO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245446308 1123829150 /nfs/dbraw/zinc/82/91/50/1123829150.db2.gz ZSOBAKDUJWGUHW-QFBILLFUSA-N 1 2 329.465 3.543 20 0 EHADLO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245446308 1123829152 /nfs/dbraw/zinc/82/91/52/1123829152.db2.gz ZSOBAKDUJWGUHW-QFBILLFUSA-N 1 2 329.465 3.543 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245643118 1123907463 /nfs/dbraw/zinc/90/74/63/1123907463.db2.gz BNWFWOLONDFDIX-SJORKVTESA-N 1 2 348.393 3.604 20 0 EHADLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245643118 1123907467 /nfs/dbraw/zinc/90/74/67/1123907467.db2.gz BNWFWOLONDFDIX-SJORKVTESA-N 1 2 348.393 3.604 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646726 1123908237 /nfs/dbraw/zinc/90/82/37/1123908237.db2.gz CHZJBCIFXTVUSZ-DLBZAZTESA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646726 1123908240 /nfs/dbraw/zinc/90/82/40/1123908240.db2.gz CHZJBCIFXTVUSZ-DLBZAZTESA-N 1 2 349.356 3.671 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245694874 1123927771 /nfs/dbraw/zinc/92/77/71/1123927771.db2.gz PLNSBCHCIWUBQO-ZWKOTPCHSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245694874 1123927774 /nfs/dbraw/zinc/92/77/74/1123927774.db2.gz PLNSBCHCIWUBQO-ZWKOTPCHSA-N 1 2 336.426 3.797 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)nn1C ZINC000081935934 1123930661 /nfs/dbraw/zinc/93/06/61/1123930661.db2.gz UIAIXSIWNIOHTR-UHFFFAOYSA-N 1 2 343.818 3.635 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616095982 1123942176 /nfs/dbraw/zinc/94/21/76/1123942176.db2.gz NDEXTZOVMZOKMC-NCXUSEDFSA-N 1 2 337.467 3.614 20 0 EHADLO COc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C2CC2)cc1Cl ZINC000616720364 1124023672 /nfs/dbraw/zinc/02/36/72/1124023672.db2.gz LDHJLURRKAOJRJ-CHWSQXEVSA-N 1 2 345.830 3.702 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246177922 1124039362 /nfs/dbraw/zinc/03/93/62/1124039362.db2.gz CZNNWEFNCVNTAZ-PUECVXPYSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246177922 1124039367 /nfs/dbraw/zinc/03/93/67/1124039367.db2.gz CZNNWEFNCVNTAZ-PUECVXPYSA-N 1 2 336.838 3.697 20 0 EHADLO Cc1[nH+]c(NCc2ccc3c(c2)C[C@@H](C)O3)ccc1-c1cnn(C)c1 ZINC000922150249 1129162550 /nfs/dbraw/zinc/16/25/50/1129162550.db2.gz OVYQEFQRXMAIHY-CYBMUJFWSA-N 1 2 334.423 3.726 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000353389203 1124056918 /nfs/dbraw/zinc/05/69/18/1124056918.db2.gz UKIASPGHDOQSJP-CXAGYDPISA-N 1 2 331.485 3.876 20 0 EHADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000085987197 1129178932 /nfs/dbraw/zinc/17/89/32/1129178932.db2.gz WQQDGNLMNPQETI-LLVKDONJSA-N 1 2 326.318 3.676 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249146 1124453184 /nfs/dbraw/zinc/45/31/84/1124453184.db2.gz SYYFELSPJYBATD-GJZGRUSLSA-N 1 2 339.505 3.517 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249146 1124453188 /nfs/dbraw/zinc/45/31/88/1124453188.db2.gz SYYFELSPJYBATD-GJZGRUSLSA-N 1 2 339.505 3.517 20 0 EHADLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246838879 1124555248 /nfs/dbraw/zinc/55/52/48/1124555248.db2.gz QJCDIXCAGFHYTP-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246838879 1124555259 /nfs/dbraw/zinc/55/52/59/1124555259.db2.gz QJCDIXCAGFHYTP-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c(Cl)c1 ZINC000247363265 1124607102 /nfs/dbraw/zinc/60/71/02/1124607102.db2.gz HKPYKKAUGCQFBF-LSDHHAIUSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c(Cl)c1 ZINC000247363265 1124607106 /nfs/dbraw/zinc/60/71/06/1124607106.db2.gz HKPYKKAUGCQFBF-LSDHHAIUSA-N 1 2 338.879 3.722 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000248603841 1124678700 /nfs/dbraw/zinc/67/87/00/1124678700.db2.gz OPIXIAPJELCIIO-AVGNSLFASA-N 1 2 335.498 3.607 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@@H]1C ZINC000248924363 1124720035 /nfs/dbraw/zinc/72/00/35/1124720035.db2.gz XPMGMDIGVHSKRB-CMPLNLGQSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@@H]1C ZINC000248924363 1124720042 /nfs/dbraw/zinc/72/00/42/1124720042.db2.gz XPMGMDIGVHSKRB-CMPLNLGQSA-N 1 2 346.254 3.633 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069390850 1124741978 /nfs/dbraw/zinc/74/19/78/1124741978.db2.gz CHBXQIWTERFJNE-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO O=C(CCc1ccc(Cl)s1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069391220 1124743728 /nfs/dbraw/zinc/74/37/28/1124743728.db2.gz NLFFVXPJIUJSOI-UHFFFAOYSA-N 1 2 345.855 3.836 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000089358275 1124808435 /nfs/dbraw/zinc/80/84/35/1124808435.db2.gz FYJQMRLELHUTEA-AZUAARDMSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000090418822 1124909982 /nfs/dbraw/zinc/90/99/82/1124909982.db2.gz LMEDCJSXWDEXQB-UHFFFAOYSA-N 1 2 337.398 3.867 20 0 EHADLO CC(C)[N@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC1 ZINC000090554564 1124921866 /nfs/dbraw/zinc/92/18/66/1124921866.db2.gz FAMZSSRWDIPQAH-UHFFFAOYSA-N 1 2 348.468 3.508 20 0 EHADLO CC(C)[N@@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC1 ZINC000090554564 1124921876 /nfs/dbraw/zinc/92/18/76/1124921876.db2.gz FAMZSSRWDIPQAH-UHFFFAOYSA-N 1 2 348.468 3.508 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c(C)c[nH+]1 ZINC001127646118 1125014060 /nfs/dbraw/zinc/01/40/60/1125014060.db2.gz KJKZOBJVDDAYLQ-MRXNPFEDSA-N 1 2 326.440 3.958 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(Cl)Cl)n2)CC1 ZINC000181877681 1125071479 /nfs/dbraw/zinc/07/14/79/1125071479.db2.gz GAEKIYDVUCIZHR-UHFFFAOYSA-N 1 2 336.288 3.507 20 0 EHADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C1CC1 ZINC000618865050 1125220096 /nfs/dbraw/zinc/22/00/96/1125220096.db2.gz ZMCOTOBKKYQLHZ-KRWDZBQOSA-N 1 2 337.467 3.531 20 0 EHADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C1CC1 ZINC000618865050 1125220100 /nfs/dbraw/zinc/22/01/00/1125220100.db2.gz ZMCOTOBKKYQLHZ-KRWDZBQOSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H](C)CS(=O)(=O)CC ZINC000093414091 1125244491 /nfs/dbraw/zinc/24/44/91/1125244491.db2.gz VYEIQVALBXCZHF-OAHLLOKOSA-N 1 2 337.485 3.695 20 0 EHADLO CC[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H](C)CS(=O)(=O)CC ZINC000093414091 1125244496 /nfs/dbraw/zinc/24/44/96/1125244496.db2.gz VYEIQVALBXCZHF-OAHLLOKOSA-N 1 2 337.485 3.695 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(C4CC4)n(C)c3=S)C2)c1 ZINC000182796933 1125371693 /nfs/dbraw/zinc/37/16/93/1125371693.db2.gz ZIDUCZOQCFZQJQ-INIZCTEOSA-N 1 2 342.512 3.892 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(C4CC4)n(C)c3=S)C2)c1 ZINC000182796933 1125371696 /nfs/dbraw/zinc/37/16/96/1125371696.db2.gz ZIDUCZOQCFZQJQ-INIZCTEOSA-N 1 2 342.512 3.892 20 0 EHADLO Cc1cccc(C2(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CCCC2)c1 ZINC000152930104 1125400278 /nfs/dbraw/zinc/40/02/78/1125400278.db2.gz HCEUNHYJWLRLQY-IBGZPJMESA-N 1 2 349.478 3.597 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)c(Cl)c1OC ZINC000070943384 1125432914 /nfs/dbraw/zinc/43/29/14/1125432914.db2.gz SMDCBGGVNLMPSC-JTQLQIEISA-N 1 2 326.849 3.973 20 0 EHADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCc2c1cccc2-c1ccccc1 ZINC000682531671 1129219389 /nfs/dbraw/zinc/21/93/89/1129219389.db2.gz SGHZMLQKSAVSMS-KRWDZBQOSA-N 1 2 343.430 3.702 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682518253 1129222134 /nfs/dbraw/zinc/22/21/34/1129222134.db2.gz JBZRXSOVTHYRPL-OALUTQOASA-N 1 2 337.467 3.933 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000115319439 1129257707 /nfs/dbraw/zinc/25/77/07/1129257707.db2.gz RZFACDNRWPKWDH-KRWDZBQOSA-N 1 2 340.492 3.512 20 0 EHADLO c1cn(-c2ccc(NCc3ccc(O[C@H]4CCOC4)cc3)cc2)c[nH+]1 ZINC000657320605 1129258706 /nfs/dbraw/zinc/25/87/06/1129258706.db2.gz VMKMTTYTTWRXGL-FQEVSTJZSA-N 1 2 335.407 3.652 20 0 EHADLO Fc1cc2[nH]c(=NCc3cc(-n4cc[nH+]c4)cs3)sc2cc1F ZINC000543144507 1129281896 /nfs/dbraw/zinc/28/18/96/1129281896.db2.gz QLXHPJIHNIKGMT-UHFFFAOYSA-N 1 2 348.403 3.856 20 0 EHADLO C[C@@H](C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC000785465547 1129313481 /nfs/dbraw/zinc/31/34/81/1129313481.db2.gz IEYFIOHJXUWHTQ-RYUDHWBXSA-N 1 2 340.414 3.797 20 0 EHADLO C[C@@H](C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC000785465547 1129313486 /nfs/dbraw/zinc/31/34/86/1129313486.db2.gz IEYFIOHJXUWHTQ-RYUDHWBXSA-N 1 2 340.414 3.797 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000068254686 1129356122 /nfs/dbraw/zinc/35/61/22/1129356122.db2.gz BDUBESXSDRDMOT-MSOLQXFVSA-N 1 2 340.854 3.576 20 0 EHADLO CC(C)OCc1noc(C[N@H+](C)Cc2cccc3ccccc32)n1 ZINC000929285124 1129396538 /nfs/dbraw/zinc/39/65/38/1129396538.db2.gz IJTLHRPQJZXMHL-UHFFFAOYSA-N 1 2 325.412 3.780 20 0 EHADLO CC(C)OCc1noc(C[N@@H+](C)Cc2cccc3ccccc32)n1 ZINC000929285124 1129396540 /nfs/dbraw/zinc/39/65/40/1129396540.db2.gz IJTLHRPQJZXMHL-UHFFFAOYSA-N 1 2 325.412 3.780 20 0 EHADLO Cc1ccc(CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000081325054 1129413975 /nfs/dbraw/zinc/41/39/75/1129413975.db2.gz KQNQKPAPRXXSGU-HXUWFJFHSA-N 1 2 347.462 3.680 20 0 EHADLO O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265847857 1129415300 /nfs/dbraw/zinc/41/53/00/1129415300.db2.gz FLYSQRGESZWWPK-STQMWFEESA-N 1 2 347.821 3.712 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000922267384 1129419171 /nfs/dbraw/zinc/41/91/71/1129419171.db2.gz MHEOWMNKENIRME-UHFFFAOYSA-N 1 2 346.818 3.579 20 0 EHADLO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1ncnn1-c1ccccc1 ZINC000359015527 1129433932 /nfs/dbraw/zinc/43/39/32/1129433932.db2.gz ONQHGPCHQCUKRY-MRXNPFEDSA-N 1 2 340.427 3.733 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000117479438 1129445907 /nfs/dbraw/zinc/44/59/07/1129445907.db2.gz IFHBWBSUCBEGJP-KRWDZBQOSA-N 1 2 340.471 3.653 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc2nccnc21 ZINC000347711238 1129468165 /nfs/dbraw/zinc/46/81/65/1129468165.db2.gz ZBYMIZGQYXJCQA-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO c1coc([C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)c2ccccc2)c1 ZINC000347714308 1129475472 /nfs/dbraw/zinc/47/54/72/1129475472.db2.gz DJBODLUKEIUYRA-FQEVSTJZSA-N 1 2 330.391 3.944 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccnc(Cl)c1 ZINC000172976230 1129494019 /nfs/dbraw/zinc/49/40/19/1129494019.db2.gz VYRNZRBRGFRWIK-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccnc(Cl)c1 ZINC000172976230 1129494022 /nfs/dbraw/zinc/49/40/22/1129494022.db2.gz VYRNZRBRGFRWIK-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2cc(Cl)cc3c2OCC3)c(C)[nH+]1 ZINC000543470022 1129506437 /nfs/dbraw/zinc/50/64/37/1129506437.db2.gz STRHOVZOYOLFQU-UHFFFAOYSA-N 1 2 330.815 3.776 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000499830614 1129526637 /nfs/dbraw/zinc/52/66/37/1129526637.db2.gz XNCANSJQYSLKCV-LLVKDONJSA-N 1 2 344.212 3.839 20 0 EHADLO CC(C)(C)c1nc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000338855625 1129532544 /nfs/dbraw/zinc/53/25/44/1129532544.db2.gz FYDMRWGTIOOVOH-UHFFFAOYSA-N 1 2 340.452 3.808 20 0 EHADLO COc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(C)c1OC ZINC000922521223 1129560917 /nfs/dbraw/zinc/56/09/17/1129560917.db2.gz IOGCNDJZEPFHEQ-YJBOKZPZSA-N 1 2 331.387 3.574 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+][C@H](c3ncccn3)C3CC3)cn2)cc1 ZINC000922580266 1129580277 /nfs/dbraw/zinc/58/02/77/1129580277.db2.gz OMWGBTMPULVINQ-KRWDZBQOSA-N 1 2 339.830 3.557 20 0 EHADLO Fc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cc(C(F)(F)F)c1 ZINC000922582335 1129581391 /nfs/dbraw/zinc/58/13/91/1129581391.db2.gz ZTKFRXWQJCKVCM-AWEZNQCLSA-N 1 2 325.309 3.875 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(F)ccc1OC ZINC000922621458 1129599395 /nfs/dbraw/zinc/59/93/95/1129599395.db2.gz LOSBFAOVDJLCEZ-GOSISDBHSA-N 1 2 340.402 3.656 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCC(C)(F)F ZINC000922688583 1129627097 /nfs/dbraw/zinc/62/70/97/1129627097.db2.gz ZIEQTIRPXPNZQU-UHFFFAOYSA-N 1 2 332.297 3.602 20 0 EHADLO c1nc([C@@H]2CCCO2)sc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922697869 1129630281 /nfs/dbraw/zinc/63/02/81/1129630281.db2.gz WLGNKUMQEZGSMM-ZDUSSCGKSA-N 1 2 335.498 3.620 20 0 EHADLO CC(C)c1cccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428958262 1129637889 /nfs/dbraw/zinc/63/78/89/1129637889.db2.gz BWBKBGDAFHMSLF-UHFFFAOYSA-N 1 2 340.471 3.684 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000125252731 1129675155 /nfs/dbraw/zinc/67/51/55/1129675155.db2.gz SIDNQDMPPSDCBF-UHFFFAOYSA-N 1 2 330.388 3.565 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000125302056 1129678825 /nfs/dbraw/zinc/67/88/25/1129678825.db2.gz DRWOEHUSDSQPJL-UHFFFAOYSA-N 1 2 339.483 3.843 20 0 EHADLO Cc1sc(NC(=O)Cn2cc[nH+]c2)nc1-c1cccc(Cl)c1 ZINC000673643413 1129730526 /nfs/dbraw/zinc/73/05/26/1129730526.db2.gz QSYMGDHGZMMMHC-UHFFFAOYSA-N 1 2 332.816 3.607 20 0 EHADLO C[C@@H](C(=O)OCc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000735957926 1131394453 /nfs/dbraw/zinc/39/44/53/1131394453.db2.gz TWEUAYUJRDCRMR-AWEZNQCLSA-N 1 2 329.827 3.830 20 0 EHADLO C[C@@H](C(=O)OCc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000735957926 1131394457 /nfs/dbraw/zinc/39/44/57/1131394457.db2.gz TWEUAYUJRDCRMR-AWEZNQCLSA-N 1 2 329.827 3.830 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625227039 1129774668 /nfs/dbraw/zinc/77/46/68/1129774668.db2.gz MBAJBWLZYLBOQK-GOSISDBHSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1coc(-c2ccccc2F)n1 ZINC000625227039 1129774670 /nfs/dbraw/zinc/77/46/70/1129774670.db2.gz MBAJBWLZYLBOQK-GOSISDBHSA-N 1 2 340.402 3.860 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168740198 1129781694 /nfs/dbraw/zinc/78/16/94/1129781694.db2.gz RYEBYRKXWLJLPQ-GFCCVEGCSA-N 1 2 331.799 3.593 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168740198 1129781698 /nfs/dbraw/zinc/78/16/98/1129781698.db2.gz RYEBYRKXWLJLPQ-GFCCVEGCSA-N 1 2 331.799 3.593 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)[nH+]c12 ZINC000673725155 1129812176 /nfs/dbraw/zinc/81/21/76/1129812176.db2.gz BRYVMQKKMQKYQB-UHFFFAOYSA-N 1 2 337.467 3.518 20 0 EHADLO Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](OC(F)F)C2)co1 ZINC000625311092 1129817323 /nfs/dbraw/zinc/81/73/23/1129817323.db2.gz OZZBYKBSBKOEDA-GFCCVEGCSA-N 1 2 326.318 3.684 20 0 EHADLO Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)co1 ZINC000625311092 1129817325 /nfs/dbraw/zinc/81/73/25/1129817325.db2.gz OZZBYKBSBKOEDA-GFCCVEGCSA-N 1 2 326.318 3.684 20 0 EHADLO Cc1cc(NNC(=S)Nc2ccc(Cl)c(Cl)c2)nc(C)[nH+]1 ZINC000735988978 1131399435 /nfs/dbraw/zinc/39/94/35/1131399435.db2.gz FMCULGNMHWMRIM-UHFFFAOYSA-N 1 2 342.255 3.714 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625313344 1129821827 /nfs/dbraw/zinc/82/18/27/1129821827.db2.gz PLKORFJVQJVZQR-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000625313344 1129821833 /nfs/dbraw/zinc/82/18/33/1129821833.db2.gz PLKORFJVQJVZQR-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO Cc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)n1C(C)C ZINC000673747564 1129825538 /nfs/dbraw/zinc/82/55/38/1129825538.db2.gz RRDKEOSWJIEYSN-UHFFFAOYSA-N 1 2 338.455 3.614 20 0 EHADLO CCNC(=O)C[N@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000673754119 1129829413 /nfs/dbraw/zinc/82/94/13/1129829413.db2.gz XABLDYYEPFZZSB-UHFFFAOYSA-N 1 2 331.485 3.501 20 0 EHADLO CCNC(=O)C[N@@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000673754119 1129829415 /nfs/dbraw/zinc/82/94/15/1129829415.db2.gz XABLDYYEPFZZSB-UHFFFAOYSA-N 1 2 331.485 3.501 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673772251 1129837562 /nfs/dbraw/zinc/83/75/62/1129837562.db2.gz TZHXMZBLKZIKDF-MRXNPFEDSA-N 1 2 336.439 3.554 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000483513860 1129837895 /nfs/dbraw/zinc/83/78/95/1129837895.db2.gz GWJUIPXQZVLMBE-HXUWFJFHSA-N 1 2 333.472 3.808 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000483513860 1129837901 /nfs/dbraw/zinc/83/79/01/1129837901.db2.gz GWJUIPXQZVLMBE-HXUWFJFHSA-N 1 2 333.472 3.808 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673781358 1129843077 /nfs/dbraw/zinc/84/30/77/1129843077.db2.gz UBMIFCGPGJGTBM-MAUKXSAKSA-N 1 2 342.487 3.795 20 0 EHADLO c1nc(-c2ccncc2)sc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000347808888 1129850409 /nfs/dbraw/zinc/85/04/09/1129850409.db2.gz GOSVEDYHDCMTPV-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000282447961 1129865309 /nfs/dbraw/zinc/86/53/09/1129865309.db2.gz VJIHYSKIMLSDCE-WMZOPIPTSA-N 1 2 337.467 3.729 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000673828205 1129871413 /nfs/dbraw/zinc/87/14/13/1129871413.db2.gz PLIRSMVURNTNNE-HUUCEWRRSA-N 1 2 333.863 3.967 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cs1 ZINC000673856350 1129885665 /nfs/dbraw/zinc/88/56/65/1129885665.db2.gz IRZUWTZOUPBSOE-PBHICJAKSA-N 1 2 332.469 3.814 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cs1 ZINC000673856350 1129885671 /nfs/dbraw/zinc/88/56/71/1129885671.db2.gz IRZUWTZOUPBSOE-PBHICJAKSA-N 1 2 332.469 3.814 20 0 EHADLO Cc1nc([C@H]([NH2+][C@H]2CCCSCC2)c2ccc(Cl)cc2)no1 ZINC000657953169 1129914609 /nfs/dbraw/zinc/91/46/09/1129914609.db2.gz DOPFSIAHWFSCGV-LSDHHAIUSA-N 1 2 337.876 3.996 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000057948018 1129920395 /nfs/dbraw/zinc/92/03/95/1129920395.db2.gz PVOIPTGYJLHHAY-VMPITWQZSA-N 1 2 346.474 3.647 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674011383 1129957970 /nfs/dbraw/zinc/95/79/70/1129957970.db2.gz WGZJFHDNSUWTFN-GUYCJALGSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674011383 1129957971 /nfs/dbraw/zinc/95/79/71/1129957971.db2.gz WGZJFHDNSUWTFN-GUYCJALGSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010322 1129958034 /nfs/dbraw/zinc/95/80/34/1129958034.db2.gz PUVOTNANOKUKSP-SCLBCKFNSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010322 1129958037 /nfs/dbraw/zinc/95/80/37/1129958037.db2.gz PUVOTNANOKUKSP-SCLBCKFNSA-N 1 2 346.833 3.931 20 0 EHADLO Cc1cccc(C)c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282504916 1129963103 /nfs/dbraw/zinc/96/31/03/1129963103.db2.gz ZGEDCFPMUJRPNK-KRWDZBQOSA-N 1 2 337.467 3.856 20 0 EHADLO O=C(CCC(=O)c1cccc(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000347876548 1129964580 /nfs/dbraw/zinc/96/45/80/1129964580.db2.gz MYYSZHBGDRDMCM-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C)c1C ZINC000625646869 1129965214 /nfs/dbraw/zinc/96/52/14/1129965214.db2.gz CIEOAEVRJJNBQW-AOOOYVTPSA-N 1 2 330.444 3.835 20 0 EHADLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C)c1C ZINC000625646869 1129965217 /nfs/dbraw/zinc/96/52/17/1129965217.db2.gz CIEOAEVRJJNBQW-AOOOYVTPSA-N 1 2 330.444 3.835 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H](C)C1(F)F ZINC000625647732 1129966231 /nfs/dbraw/zinc/96/62/31/1129966231.db2.gz HIKZDVJSJNHFHA-AOOOYVTPSA-N 1 2 334.769 3.641 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H](C)C1(F)F ZINC000625647732 1129966234 /nfs/dbraw/zinc/96/62/34/1129966234.db2.gz HIKZDVJSJNHFHA-AOOOYVTPSA-N 1 2 334.769 3.641 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657024 1129970595 /nfs/dbraw/zinc/97/05/95/1129970595.db2.gz SGFQAJUHGRRTOV-RDTXWAMCSA-N 1 2 348.368 3.510 20 0 EHADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657024 1129970597 /nfs/dbraw/zinc/97/05/97/1129970597.db2.gz SGFQAJUHGRRTOV-RDTXWAMCSA-N 1 2 348.368 3.510 20 0 EHADLO O=C(Cc1cc(Cl)cc(Cl)c1)NCCCNc1cccc[nH+]1 ZINC000625715563 1129990692 /nfs/dbraw/zinc/99/06/92/1129990692.db2.gz DQPDGDCIXAMNKD-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674095208 1130002626 /nfs/dbraw/zinc/00/26/26/1130002626.db2.gz UBTOVJDDROYSER-INIZCTEOSA-N 1 2 330.472 3.592 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C/C=C\c3cccc(F)c3)[nH+]c12 ZINC000674099136 1130003557 /nfs/dbraw/zinc/00/35/57/1130003557.db2.gz MSZOBCDJTSHJIP-CLTKARDFSA-N 1 2 337.398 3.544 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@H](C)c3ccc(Cl)s3)[nH+]c12 ZINC000674254619 1130033816 /nfs/dbraw/zinc/03/38/16/1130033816.db2.gz ZPMUZGOSPVUFHL-GFCCVEGCSA-N 1 2 347.871 3.820 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674239824 1130035564 /nfs/dbraw/zinc/03/55/64/1130035564.db2.gz BTQZBDQLBHTJEO-NVXWUHKLSA-N 1 2 327.428 3.538 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000528574926 1130037899 /nfs/dbraw/zinc/03/78/99/1130037899.db2.gz PSFJMLVKFTYHMN-CYBMUJFWSA-N 1 2 333.407 3.937 20 0 EHADLO CC(C)(NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)c(F)c1 ZINC000674317411 1130066682 /nfs/dbraw/zinc/06/66/82/1130066682.db2.gz RHPKEGAKFHHZHS-UHFFFAOYSA-N 1 2 330.338 3.669 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC(Cc4cccc(C)c4)C3)ccc2[nH+]1 ZINC000674564493 1130131897 /nfs/dbraw/zinc/13/18/97/1130131897.db2.gz FFHHLFOIPTYKHC-UHFFFAOYSA-N 1 2 334.423 3.658 20 0 EHADLO C[C@@H](N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1(C)CC1 ZINC000674637322 1130154031 /nfs/dbraw/zinc/15/40/31/1130154031.db2.gz YUGQPYSSVCRNLK-WBVHZDCISA-N 1 2 340.471 3.534 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000172724695 1130156778 /nfs/dbraw/zinc/15/67/78/1130156778.db2.gz OIMFBJCXQNYQBL-HZPDHXFCSA-N 1 2 338.407 3.520 20 0 EHADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000674717924 1130181559 /nfs/dbraw/zinc/18/15/59/1130181559.db2.gz VLHOBABVTVCVCI-QGZVFWFLSA-N 1 2 335.407 3.699 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cs1 ZINC000674753849 1130187443 /nfs/dbraw/zinc/18/74/43/1130187443.db2.gz RGLKMZBLXKNOBM-ZDUSSCGKSA-N 1 2 347.484 3.748 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000675026737 1130242813 /nfs/dbraw/zinc/24/28/13/1130242813.db2.gz PAVRPHOASYHOPH-AWEZNQCLSA-N 1 2 348.450 3.552 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675024122 1130243129 /nfs/dbraw/zinc/24/31/29/1130243129.db2.gz SLPRGJNFDMXTOS-UHFFFAOYSA-N 1 2 344.418 3.635 20 0 EHADLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCn1ccccc1=O ZINC000675250946 1130292383 /nfs/dbraw/zinc/29/23/83/1130292383.db2.gz NUSUQKRTWOMCFK-LBPRGKRZSA-N 1 2 337.250 3.774 20 0 EHADLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCn1ccccc1=O ZINC000675250946 1130292387 /nfs/dbraw/zinc/29/23/87/1130292387.db2.gz NUSUQKRTWOMCFK-LBPRGKRZSA-N 1 2 337.250 3.774 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675257978 1130299167 /nfs/dbraw/zinc/29/91/67/1130299167.db2.gz OWSIFESRZWUFHS-DNVCBOLYSA-N 1 2 349.434 3.768 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)c2nnc[nH]2)C12CCC2 ZINC000658254751 1130319306 /nfs/dbraw/zinc/31/93/06/1130319306.db2.gz QKYVIUIGAIMSKU-RBSFLKMASA-N 1 2 346.500 3.672 20 0 EHADLO Clc1ccc(Cl)c(CN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000766109173 1130322723 /nfs/dbraw/zinc/32/27/23/1130322723.db2.gz SDZHYSRHDOQNPA-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000173939263 1130325354 /nfs/dbraw/zinc/32/53/54/1130325354.db2.gz LZEWYJXNSXMXJX-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000675610112 1130435702 /nfs/dbraw/zinc/43/57/02/1130435702.db2.gz DQNNAQABNVRJOX-KBPBESRZSA-N 1 2 338.411 3.942 20 0 EHADLO FC(F)(F)c1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000675633307 1130441132 /nfs/dbraw/zinc/44/11/32/1130441132.db2.gz OGONEXKLTXIBPJ-MRXNPFEDSA-N 1 2 346.356 3.745 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@H]1n1cc[nH+]c1 ZINC000675832261 1130489194 /nfs/dbraw/zinc/48/91/94/1130489194.db2.gz LPWZVIRXDSOGDM-ZIAGYGMSSA-N 1 2 341.436 3.928 20 0 EHADLO CC(C)([NH2+]Cc1ccn(C2CCCC2)n1)C(=O)Nc1ccccc1 ZINC000675971987 1130512030 /nfs/dbraw/zinc/51/20/30/1130512030.db2.gz GVLUCKDFNOMRCE-UHFFFAOYSA-N 1 2 326.444 3.505 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974969 1130513822 /nfs/dbraw/zinc/51/38/22/1130513822.db2.gz OSUVGUOWNJYDPH-CQSZACIVSA-N 1 2 348.450 3.552 20 0 EHADLO Brc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H]1CCCOC1)CC3 ZINC000676084995 1130529696 /nfs/dbraw/zinc/52/96/96/1130529696.db2.gz FWAMWFLXFTVXED-GFCCVEGCSA-N 1 2 349.272 3.715 20 0 EHADLO Brc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H]1CCCOC1)CC3 ZINC000676084995 1130529701 /nfs/dbraw/zinc/52/97/01/1130529701.db2.gz FWAMWFLXFTVXED-GFCCVEGCSA-N 1 2 349.272 3.715 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)c1 ZINC000676139741 1130538417 /nfs/dbraw/zinc/53/84/17/1130538417.db2.gz NGYWDYJLIODZSG-HXUWFJFHSA-N 1 2 346.434 3.731 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1sccc1F ZINC001129201500 1130557283 /nfs/dbraw/zinc/55/72/83/1130557283.db2.gz ADRCYZPSWQFXGM-UHFFFAOYSA-N 1 2 335.791 3.656 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000727823327 1130600470 /nfs/dbraw/zinc/60/04/70/1130600470.db2.gz ILXLOUVPHZFCSJ-CQSZACIVSA-N 1 2 332.473 3.765 20 0 EHADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000727823327 1130600474 /nfs/dbraw/zinc/60/04/74/1130600474.db2.gz ILXLOUVPHZFCSJ-CQSZACIVSA-N 1 2 332.473 3.765 20 0 EHADLO CCCC[C@H]1CCC[C@H]1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000727843880 1130601752 /nfs/dbraw/zinc/60/17/52/1130601752.db2.gz NTNWVYTUWNTIHO-JKSUJKDBSA-N 1 2 333.476 3.865 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727940765 1130612603 /nfs/dbraw/zinc/61/26/03/1130612603.db2.gz OBKQHRGLMIOPBT-HIFRSBDPSA-N 1 2 346.862 3.583 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCCc2ccccc2)C1 ZINC000728043125 1130621435 /nfs/dbraw/zinc/62/14/35/1130621435.db2.gz DXGSAVLPJRBPRO-INIZCTEOSA-N 1 2 344.524 3.947 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCCc2ccccc2)C1 ZINC000728043125 1130621436 /nfs/dbraw/zinc/62/14/36/1130621436.db2.gz DXGSAVLPJRBPRO-INIZCTEOSA-N 1 2 344.524 3.947 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCc2ccccc2)C1 ZINC000728046227 1130621444 /nfs/dbraw/zinc/62/14/44/1130621444.db2.gz UZIZMTGYYHNGKE-OAHLLOKOSA-N 1 2 330.497 3.557 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCc2ccccc2)C1 ZINC000728046227 1130621445 /nfs/dbraw/zinc/62/14/45/1130621445.db2.gz UZIZMTGYYHNGKE-OAHLLOKOSA-N 1 2 330.497 3.557 20 0 EHADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)CC1=CCCCC1 ZINC000730213243 1130688055 /nfs/dbraw/zinc/68/80/55/1130688055.db2.gz OMCXVHOLLQUHBQ-UHFFFAOYSA-N 1 2 336.520 3.618 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Cl)Cc1cc(=O)oc2cc(O)ccc12 ZINC000730432300 1130711002 /nfs/dbraw/zinc/71/10/02/1130711002.db2.gz CERPQIJJICTAFQ-UHFFFAOYSA-N 1 2 347.773 3.923 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Cl)Cc1cc(=O)oc2cc(O)ccc12 ZINC000730432300 1130711006 /nfs/dbraw/zinc/71/10/06/1130711006.db2.gz CERPQIJJICTAFQ-UHFFFAOYSA-N 1 2 347.773 3.923 20 0 EHADLO CCOCC[N@H+](CC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000730802318 1130738937 /nfs/dbraw/zinc/73/89/37/1130738937.db2.gz PZQOBUGWXQWNDW-UHFFFAOYSA-N 1 2 329.416 3.883 20 0 EHADLO CCOCC[N@@H+](CC)Cn1c2ccccc2n(C(F)F)c1=S ZINC000730802318 1130738943 /nfs/dbraw/zinc/73/89/43/1130738943.db2.gz PZQOBUGWXQWNDW-UHFFFAOYSA-N 1 2 329.416 3.883 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(OC(F)(F)F)cc1 ZINC000731028366 1130762537 /nfs/dbraw/zinc/76/25/37/1130762537.db2.gz BVLWFGLKONFKEP-UHFFFAOYSA-N 1 2 330.331 3.888 20 0 EHADLO CC(C)COc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000731632207 1130822431 /nfs/dbraw/zinc/82/24/31/1130822431.db2.gz FMUWKDOILDNKSX-UHFFFAOYSA-N 1 2 341.455 3.739 20 0 EHADLO O[C@H](C[NH2+]Cc1n[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000732230608 1130902673 /nfs/dbraw/zinc/90/26/73/1130902673.db2.gz USOLECKWNSQURE-MRXNPFEDSA-N 1 2 336.222 3.693 20 0 EHADLO C/C=C/C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000732307484 1130908817 /nfs/dbraw/zinc/90/88/17/1130908817.db2.gz GSCAVMISHZSRMT-GORDUTHDSA-N 1 2 335.810 3.671 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1cccc(C(=O)NC)c1 ZINC000733792473 1131079945 /nfs/dbraw/zinc/07/99/45/1131079945.db2.gz IIXJLFCONGULPU-UHFFFAOYSA-N 1 2 336.439 3.656 20 0 EHADLO O=C([C@H]1CCCC(F)(F)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000282562431 1131095076 /nfs/dbraw/zinc/09/50/76/1131095076.db2.gz DTASVDHXXJWYJX-MOTZXUDYSA-N 1 2 348.437 3.670 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347951582 1131102219 /nfs/dbraw/zinc/10/22/19/1131102219.db2.gz BEIPZYWHPAIUJF-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2cccc(F)c2C1 ZINC000347951582 1131102223 /nfs/dbraw/zinc/10/22/23/1131102223.db2.gz BEIPZYWHPAIUJF-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO F[C@H](c1noc(CCn2cc[nH+]c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000282584281 1131107462 /nfs/dbraw/zinc/10/74/62/1131107462.db2.gz ZXMOUCYIEIPYBL-ZDUSSCGKSA-N 1 2 340.280 3.587 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1c(C)nn(C)c1C ZINC000348046371 1131136521 /nfs/dbraw/zinc/13/65/21/1131136521.db2.gz OBJFTXFGJVXQNL-CYBMUJFWSA-N 1 2 330.457 3.994 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597620 1131428037 /nfs/dbraw/zinc/42/80/37/1131428037.db2.gz ZTUFDHICSRIRIW-GXTWGEPZSA-N 1 2 349.479 3.539 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000736597620 1131428041 /nfs/dbraw/zinc/42/80/41/1131428041.db2.gz ZTUFDHICSRIRIW-GXTWGEPZSA-N 1 2 349.479 3.539 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)C1 ZINC000738255644 1131464489 /nfs/dbraw/zinc/46/44/89/1131464489.db2.gz FRMXSWRYXSVBLF-KVSKMBFKSA-N 1 2 332.513 3.627 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)C1 ZINC000738255644 1131464490 /nfs/dbraw/zinc/46/44/90/1131464490.db2.gz FRMXSWRYXSVBLF-KVSKMBFKSA-N 1 2 332.513 3.627 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309997 1131467555 /nfs/dbraw/zinc/46/75/55/1131467555.db2.gz SQTQLAPBPGNJPG-RHSMWYFYSA-N 1 2 327.428 3.698 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309997 1131467559 /nfs/dbraw/zinc/46/75/59/1131467559.db2.gz SQTQLAPBPGNJPG-RHSMWYFYSA-N 1 2 327.428 3.698 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)cc1OC ZINC000740861650 1131549039 /nfs/dbraw/zinc/54/90/39/1131549039.db2.gz XIPABOPLIKHUPR-RYUDHWBXSA-N 1 2 349.456 3.578 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3C[C@@H](C)C[C@@H]3C)c(=S)o2)cc1OC ZINC000740861650 1131549044 /nfs/dbraw/zinc/54/90/44/1131549044.db2.gz XIPABOPLIKHUPR-RYUDHWBXSA-N 1 2 349.456 3.578 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860387 1131549570 /nfs/dbraw/zinc/54/95/70/1131549570.db2.gz PTCSDKDVZXNFTK-HUUCEWRRSA-N 1 2 334.419 3.571 20 0 EHADLO C[C@@H]1C[C@@H](C)[N@@H+](CN2c3ccc(-c4ccccc4)cc3C(=O)C2=O)C1 ZINC000740860387 1131549575 /nfs/dbraw/zinc/54/95/75/1131549575.db2.gz PTCSDKDVZXNFTK-HUUCEWRRSA-N 1 2 334.419 3.571 20 0 EHADLO C[C@H](C(=O)OCC(=O)c1cccc2ccccc21)[NH+]1CCCCCC1 ZINC000741027183 1131571749 /nfs/dbraw/zinc/57/17/49/1131571749.db2.gz VGIQQJCRZRIVGT-MRXNPFEDSA-N 1 2 339.435 3.830 20 0 EHADLO CC[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380504 1131600549 /nfs/dbraw/zinc/60/05/49/1131600549.db2.gz BWWBFVKNEBCJMZ-PMACEKPBSA-N 1 2 339.435 3.582 20 0 EHADLO CC[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741380504 1131600551 /nfs/dbraw/zinc/60/05/51/1131600551.db2.gz BWWBFVKNEBCJMZ-PMACEKPBSA-N 1 2 339.435 3.582 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741785986 1131647625 /nfs/dbraw/zinc/64/76/25/1131647625.db2.gz SBWZXNYISQSRCO-INIZCTEOSA-N 1 2 348.805 3.936 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741785986 1131647630 /nfs/dbraw/zinc/64/76/30/1131647630.db2.gz SBWZXNYISQSRCO-INIZCTEOSA-N 1 2 348.805 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c1C ZINC000741914543 1131667310 /nfs/dbraw/zinc/66/73/10/1131667310.db2.gz IDNIQAILAQQEPM-LBPRGKRZSA-N 1 2 332.831 3.780 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)C1 ZINC000742144810 1131690555 /nfs/dbraw/zinc/69/05/55/1131690555.db2.gz GLRXZQVHWPLNIF-NSHDSACASA-N 1 2 338.427 3.965 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)C1 ZINC000742144810 1131690557 /nfs/dbraw/zinc/69/05/57/1131690557.db2.gz GLRXZQVHWPLNIF-NSHDSACASA-N 1 2 338.427 3.965 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2c3ccccc3C(=O)C2=O)c1C ZINC000742153610 1131693897 /nfs/dbraw/zinc/69/38/97/1131693897.db2.gz VVYDFJGZZKGBMP-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CN2c3ccccc3C(=O)C2=O)c1C ZINC000742153610 1131693898 /nfs/dbraw/zinc/69/38/98/1131693898.db2.gz VVYDFJGZZKGBMP-GOSISDBHSA-N 1 2 334.419 3.627 20 0 EHADLO S=c1c2ccccc2nnn1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000742153396 1131694424 /nfs/dbraw/zinc/69/44/24/1131694424.db2.gz YOINQVQWUDUSSF-INIZCTEOSA-N 1 2 336.464 3.683 20 0 EHADLO S=c1c2ccccc2nnn1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000742153396 1131694426 /nfs/dbraw/zinc/69/44/26/1131694426.db2.gz YOINQVQWUDUSSF-INIZCTEOSA-N 1 2 336.464 3.683 20 0 EHADLO C[C@@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000742197351 1131696737 /nfs/dbraw/zinc/69/67/37/1131696737.db2.gz RAKIUHARCHYNRV-VQIMIIECSA-N 1 2 340.492 3.683 20 0 EHADLO C[C@@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000742197351 1131696739 /nfs/dbraw/zinc/69/67/39/1131696739.db2.gz RAKIUHARCHYNRV-VQIMIIECSA-N 1 2 340.492 3.683 20 0 EHADLO Cc1nc(Cl)ccc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000751782516 1131726285 /nfs/dbraw/zinc/72/62/85/1131726285.db2.gz NHSUWKODHPPQRY-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccccc1OCC(F)(F)F ZINC000742462683 1131733069 /nfs/dbraw/zinc/73/30/69/1131733069.db2.gz QTBVYWAYWSRPJA-UHFFFAOYSA-N 1 2 344.358 3.930 20 0 EHADLO CC(C)COCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172455372 1131749379 /nfs/dbraw/zinc/74/93/79/1131749379.db2.gz RITZAFFYCSWSJS-HKUYNNGSSA-N 1 2 349.515 3.980 20 0 EHADLO Cc1ccc(Br)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669268 1131771565 /nfs/dbraw/zinc/77/15/65/1131771565.db2.gz OWHDFEUGCHQJKG-UHFFFAOYSA-N 1 2 347.256 3.678 20 0 EHADLO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642128 1131798554 /nfs/dbraw/zinc/79/85/54/1131798554.db2.gz MJJXQLGPWUTTEK-XUWVNRHRSA-N 1 2 346.462 3.937 20 0 EHADLO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642128 1131798561 /nfs/dbraw/zinc/79/85/61/1131798561.db2.gz MJJXQLGPWUTTEK-XUWVNRHRSA-N 1 2 346.462 3.937 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000742857246 1131807523 /nfs/dbraw/zinc/80/75/23/1131807523.db2.gz DOFYHTHUGRRKQY-VYENPZKTSA-N 1 2 349.409 3.673 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000742858695 1131807732 /nfs/dbraw/zinc/80/77/32/1131807732.db2.gz VZLSDXARDUWWNX-DOTOQJQBSA-N 1 2 337.423 3.525 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)[C@H]2C ZINC001172719573 1131820739 /nfs/dbraw/zinc/82/07/39/1131820739.db2.gz VMQSHMMWKCKJCW-SUMWQHHRSA-N 1 2 345.874 3.617 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)[C@H]2C ZINC001172719573 1131820745 /nfs/dbraw/zinc/82/07/45/1131820745.db2.gz VMQSHMMWKCKJCW-SUMWQHHRSA-N 1 2 345.874 3.617 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)[C@H]2C ZINC001172730325 1131827347 /nfs/dbraw/zinc/82/73/47/1131827347.db2.gz DJGNCVWMBUTNRR-HNNXBMFYSA-N 1 2 345.487 3.939 20 0 EHADLO CCOC(=O)c1cnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)[C@H]2C ZINC001172730325 1131827353 /nfs/dbraw/zinc/82/73/53/1131827353.db2.gz DJGNCVWMBUTNRR-HNNXBMFYSA-N 1 2 345.487 3.939 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001172868417 1131862764 /nfs/dbraw/zinc/86/27/64/1131862764.db2.gz HJNVMAYRNSNPTI-ACJLOTCBSA-N 1 2 334.822 3.879 20 0 EHADLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001172868417 1131862771 /nfs/dbraw/zinc/86/27/71/1131862771.db2.gz HJNVMAYRNSNPTI-ACJLOTCBSA-N 1 2 334.822 3.879 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172870262 1131889209 /nfs/dbraw/zinc/88/92/09/1131889209.db2.gz VPMNBBPGQDQRCP-LBPRGKRZSA-N 1 2 336.842 3.641 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172870262 1131889217 /nfs/dbraw/zinc/88/92/17/1131889217.db2.gz VPMNBBPGQDQRCP-LBPRGKRZSA-N 1 2 336.842 3.641 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000743351897 1131897093 /nfs/dbraw/zinc/89/70/93/1131897093.db2.gz UOBJSAKGMMCTTH-NSHDSACASA-N 1 2 325.840 3.629 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000743351897 1131897098 /nfs/dbraw/zinc/89/70/98/1131897098.db2.gz UOBJSAKGMMCTTH-NSHDSACASA-N 1 2 325.840 3.629 20 0 EHADLO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379294 1131914062 /nfs/dbraw/zinc/91/40/62/1131914062.db2.gz MQFRJGUWDHEZRQ-CJNGLKHVSA-N 1 2 333.407 3.501 20 0 EHADLO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000743379294 1131914069 /nfs/dbraw/zinc/91/40/69/1131914069.db2.gz MQFRJGUWDHEZRQ-CJNGLKHVSA-N 1 2 333.407 3.501 20 0 EHADLO COC(=O)c1cc(Cl)ncc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694250 1131923068 /nfs/dbraw/zinc/92/30/68/1131923068.db2.gz QMXVQHZYECXTNS-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO Brc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001212694846 1131923997 /nfs/dbraw/zinc/92/39/97/1131923997.db2.gz ACAIQRGOCFNIPJ-UHFFFAOYSA-N 1 2 335.230 3.894 20 0 EHADLO c1cn(Cc2ccc(Nc3cnc4cc(C5CCC5)nn4c3)cc2)c[nH+]1 ZINC001212695318 1131925458 /nfs/dbraw/zinc/92/54/58/1131925458.db2.gz YXCRRFYCRUNGLD-UHFFFAOYSA-N 1 2 344.422 3.985 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212698509 1131936801 /nfs/dbraw/zinc/93/68/01/1131936801.db2.gz WCLMJPDDIHLJFQ-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)c2ccccc2C)cs1 ZINC000743856497 1131988861 /nfs/dbraw/zinc/98/88/61/1131988861.db2.gz DDCHIYGVVWTHKQ-RHSMWYFYSA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)c2ccccc2C)cs1 ZINC000743856497 1131988868 /nfs/dbraw/zinc/98/88/68/1131988868.db2.gz DDCHIYGVVWTHKQ-RHSMWYFYSA-N 1 2 334.485 3.714 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000065365796 1132001093 /nfs/dbraw/zinc/00/10/93/1132001093.db2.gz AKUFPWPYXKXPNP-UHFFFAOYSA-N 1 2 344.802 3.554 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173208289 1132012945 /nfs/dbraw/zinc/01/29/45/1132012945.db2.gz NLXIMVZBCWSLDS-UHFFFAOYSA-N 1 2 346.471 3.887 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173208289 1132012951 /nfs/dbraw/zinc/01/29/51/1132012951.db2.gz NLXIMVZBCWSLDS-UHFFFAOYSA-N 1 2 346.471 3.887 20 0 EHADLO CCc1ccc(C[C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(=O)OC)cc1 ZINC001173241795 1132028571 /nfs/dbraw/zinc/02/85/71/1132028571.db2.gz QKXSTXPGHHTAGO-MGPUTAFESA-N 1 2 343.442 3.693 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@@H+]2CCn3c(COC)cnc3[C@H]2C)cc1 ZINC001173241345 1132028839 /nfs/dbraw/zinc/02/88/39/1132028839.db2.gz VNUYMCTYZHZJRU-HZPDHXFCSA-N 1 2 327.472 3.600 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@H+]2CCn3c(COC)cnc3[C@H]2C)cc1 ZINC001173241345 1132028845 /nfs/dbraw/zinc/02/88/45/1132028845.db2.gz VNUYMCTYZHZJRU-HZPDHXFCSA-N 1 2 327.472 3.600 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@@H+]2CCn3cc(C(F)(F)F)nc3C2)cc1 ZINC001173242931 1132029751 /nfs/dbraw/zinc/02/97/51/1132029751.db2.gz IQNFIGCSEYLPNY-CYBMUJFWSA-N 1 2 337.389 3.911 20 0 EHADLO CCc1ccc(C[C@@H](C)[N@H+]2CCn3cc(C(F)(F)F)nc3C2)cc1 ZINC001173242931 1132029756 /nfs/dbraw/zinc/02/97/56/1132029756.db2.gz IQNFIGCSEYLPNY-CYBMUJFWSA-N 1 2 337.389 3.911 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286135 1132044652 /nfs/dbraw/zinc/04/46/52/1132044652.db2.gz DZXVSRUHEMZPTL-MCIONIFRSA-N 1 2 332.435 3.799 20 0 EHADLO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286135 1132044657 /nfs/dbraw/zinc/04/46/57/1132044657.db2.gz DZXVSRUHEMZPTL-MCIONIFRSA-N 1 2 332.435 3.799 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173342869 1132055601 /nfs/dbraw/zinc/05/56/01/1132055601.db2.gz CEFDLHOJZHPTKZ-INIZCTEOSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173342869 1132055608 /nfs/dbraw/zinc/05/56/08/1132055608.db2.gz CEFDLHOJZHPTKZ-INIZCTEOSA-N 1 2 345.487 3.769 20 0 EHADLO CCCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1cccnc1 ZINC000181479639 1132083807 /nfs/dbraw/zinc/08/38/07/1132083807.db2.gz XFEKGLDFHJWEMR-UHFFFAOYSA-N 1 2 332.411 3.844 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000744430674 1132096855 /nfs/dbraw/zinc/09/68/55/1132096855.db2.gz GWFLJUXCGVDGOE-CQSZACIVSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000744430674 1132096863 /nfs/dbraw/zinc/09/68/63/1132096863.db2.gz GWFLJUXCGVDGOE-CQSZACIVSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000744433315 1132097402 /nfs/dbraw/zinc/09/74/02/1132097402.db2.gz ACFKJFIHRVXXDP-SJLPKXTDSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000744433315 1132097410 /nfs/dbraw/zinc/09/74/10/1132097410.db2.gz ACFKJFIHRVXXDP-SJLPKXTDSA-N 1 2 332.513 3.629 20 0 EHADLO c1ccc2c(c1)CCC21CCC([N@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001173690597 1132125766 /nfs/dbraw/zinc/12/57/66/1132125766.db2.gz VWSKXGLSXFWYHK-UHFFFAOYSA-N 1 2 348.494 3.798 20 0 EHADLO c1ccc2c(c1)CCC21CCC([N@@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001173690597 1132125769 /nfs/dbraw/zinc/12/57/69/1132125769.db2.gz VWSKXGLSXFWYHK-UHFFFAOYSA-N 1 2 348.494 3.798 20 0 EHADLO CCOc1ccccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001173849382 1132154385 /nfs/dbraw/zinc/15/43/85/1132154385.db2.gz MDVVIAOWZCAAKQ-OKILXGFUSA-N 1 2 342.443 3.541 20 0 EHADLO CCc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001173870150 1132159407 /nfs/dbraw/zinc/15/94/07/1132159407.db2.gz DQFMCZXBDRVQAZ-UHFFFAOYSA-N 1 2 337.467 3.513 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C(C)=O)cc3)c2c1 ZINC001173895324 1132166612 /nfs/dbraw/zinc/16/66/12/1132166612.db2.gz VTBKODQIUMHIGB-UHFFFAOYSA-N 1 2 334.375 3.780 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745086358 1132191096 /nfs/dbraw/zinc/19/10/96/1132191096.db2.gz QSUNGJLJFONEFP-MRXNPFEDSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745086358 1132191099 /nfs/dbraw/zinc/19/10/99/1132191099.db2.gz QSUNGJLJFONEFP-MRXNPFEDSA-N 1 2 348.830 3.913 20 0 EHADLO COc1ncccc1Nc1c(C)[nH+]c2c(Br)cc(C)cn12 ZINC001174041956 1132223838 /nfs/dbraw/zinc/22/38/38/1132223838.db2.gz LEEGVVCVDKGGJY-UHFFFAOYSA-N 1 2 347.216 3.861 20 0 EHADLO O=C(c1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1)N1CCCC1 ZINC001174068221 1132232530 /nfs/dbraw/zinc/23/25/30/1132232530.db2.gz ROZVLLJGDFNGSR-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174185195 1132272255 /nfs/dbraw/zinc/27/22/55/1132272255.db2.gz LOXCTAGRXKBCCP-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO FC(F)(F)c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cn1 ZINC001174311578 1132313293 /nfs/dbraw/zinc/31/32/93/1132313293.db2.gz GUUBPDQQIBJUEZ-UHFFFAOYSA-N 1 2 337.345 3.676 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cn(C4CCOCC4)cn3)ccc21 ZINC001174382629 1132345283 /nfs/dbraw/zinc/34/52/83/1132345283.db2.gz ZMCGKZXXCXAPKP-UHFFFAOYSA-N 1 2 325.416 3.909 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cnn4c3OCC(C)(C)C4)ccc21 ZINC001174382634 1132345384 /nfs/dbraw/zinc/34/53/84/1132345384.db2.gz ZPYOZCZXGOEQBB-UHFFFAOYSA-N 1 2 325.416 3.976 20 0 EHADLO Cc1nc(Nc2ccc3occc3c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001174419021 1132347424 /nfs/dbraw/zinc/34/74/24/1132347424.db2.gz CKGUFDGHTCWBIM-BETUJISGSA-N 1 2 338.411 3.888 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc3occc3c2)[nH+]1 ZINC001174419021 1132347432 /nfs/dbraw/zinc/34/74/32/1132347432.db2.gz CKGUFDGHTCWBIM-BETUJISGSA-N 1 2 338.411 3.888 20 0 EHADLO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1nc(C2CC2)n(C)c1=S ZINC000746039596 1132353097 /nfs/dbraw/zinc/35/30/97/1132353097.db2.gz XVSBIKMYPOFEGA-UHFFFAOYSA-N 1 2 346.500 3.707 20 0 EHADLO CCC[N@H+](Cc1ccc(OC)cc1)Cn1nc(C2CC2)n(C)c1=S ZINC000746039596 1132353104 /nfs/dbraw/zinc/35/31/04/1132353104.db2.gz XVSBIKMYPOFEGA-UHFFFAOYSA-N 1 2 346.500 3.707 20 0 EHADLO c1cnc2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2c1 ZINC001174432643 1132354009 /nfs/dbraw/zinc/35/40/09/1132354009.db2.gz VSHHPTZTCAOPDT-UHFFFAOYSA-N 1 2 349.434 3.689 20 0 EHADLO Nc1cc2c(ccn2-c2cc[nH+]c3[nH]ccc32)cc1Br ZINC001174413543 1132366776 /nfs/dbraw/zinc/36/67/76/1132366776.db2.gz NSWOFBCVYUSQAE-UHFFFAOYSA-N 1 2 327.185 3.803 20 0 EHADLO CN1Cc2c(Nc3ccc(N4CCCCC4)[nH+]c3)cccc2NC1=O ZINC001174525448 1132382860 /nfs/dbraw/zinc/38/28/60/1132382860.db2.gz ZWFUPNNJOCRVIK-UHFFFAOYSA-N 1 2 337.427 3.793 20 0 EHADLO Cc1cc(F)cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)nc(C)[nH+]2)c1 ZINC001174528587 1132383713 /nfs/dbraw/zinc/38/37/13/1132383713.db2.gz PFNVLFSWALNWSW-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001174516514 1132395871 /nfs/dbraw/zinc/39/58/71/1132395871.db2.gz SGUXYSOLKJFNIZ-UHFFFAOYSA-N 1 2 325.416 3.567 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001174519978 1132398430 /nfs/dbraw/zinc/39/84/30/1132398430.db2.gz XRDPWJNDYLPTPZ-UHFFFAOYSA-N 1 2 340.305 3.865 20 0 EHADLO NC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1Cl ZINC001174522762 1132400581 /nfs/dbraw/zinc/40/05/81/1132400581.db2.gz ATWMCWAJYHWYTC-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO COCCOc1ccc(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524476 1132401569 /nfs/dbraw/zinc/40/15/69/1132401569.db2.gz LLGNVMIPJSNBSV-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO COc1ccc(NC(C)=O)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524099 1132401795 /nfs/dbraw/zinc/40/17/95/1132401795.db2.gz DHYRKRRDKHWRDW-UHFFFAOYSA-N 1 2 340.427 3.783 20 0 EHADLO COc1ccc(Cn2cc(Nc3[nH+]c4ccccc4n3C)c(C)n2)cc1 ZINC001174576725 1132404663 /nfs/dbraw/zinc/40/46/63/1132404663.db2.gz JWRKZEQRPKHZGL-UHFFFAOYSA-N 1 2 347.422 3.879 20 0 EHADLO COc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc(F)c1F ZINC001174580385 1132405540 /nfs/dbraw/zinc/40/55/40/1132405540.db2.gz KXGITIBJYDPHLF-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2CC[C@](C)(c3ccccc3)C2=O)s1 ZINC000780432480 1132430880 /nfs/dbraw/zinc/43/08/80/1132430880.db2.gz VXEXVVDWTVSALI-LJQANCHMSA-N 1 2 328.481 3.636 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2CC[C@](C)(c3ccccc3)C2=O)s1 ZINC000780432480 1132430886 /nfs/dbraw/zinc/43/08/86/1132430886.db2.gz VXEXVVDWTVSALI-LJQANCHMSA-N 1 2 328.481 3.636 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001174749683 1132465482 /nfs/dbraw/zinc/46/54/82/1132465482.db2.gz RYOULWYLCWRMPI-WMZOPIPTSA-N 1 2 345.483 3.743 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001174749683 1132465485 /nfs/dbraw/zinc/46/54/85/1132465485.db2.gz RYOULWYLCWRMPI-WMZOPIPTSA-N 1 2 345.483 3.743 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000193162554 1132480074 /nfs/dbraw/zinc/48/00/74/1132480074.db2.gz ZLSLUZXJSRMEER-UHFFFAOYSA-N 1 2 331.847 3.967 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000193162554 1132480079 /nfs/dbraw/zinc/48/00/79/1132480079.db2.gz ZLSLUZXJSRMEER-UHFFFAOYSA-N 1 2 331.847 3.967 20 0 EHADLO Cc1cccc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000053813011 1132501287 /nfs/dbraw/zinc/50/12/87/1132501287.db2.gz USJOZHYCJWLTNC-KRWDZBQOSA-N 1 2 348.450 3.928 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000053778541 1132501566 /nfs/dbraw/zinc/50/15/66/1132501566.db2.gz HLBMXBFQBRZGTJ-UHFFFAOYSA-N 1 2 348.805 3.530 20 0 EHADLO CC(C)COc1c(F)cccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980570 1132534316 /nfs/dbraw/zinc/53/43/16/1132534316.db2.gz WAYFXCNGVQQFSD-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO Clc1cnc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2c1 ZINC001174979701 1132534517 /nfs/dbraw/zinc/53/45/17/1132534517.db2.gz RMLAEEZACPQRTN-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CCS2 ZINC000766421189 1132538951 /nfs/dbraw/zinc/53/89/51/1132538951.db2.gz TVUWREASYIMUGC-GFCCVEGCSA-N 1 2 325.231 3.764 20 0 EHADLO Fc1cccc(C[C@H]([NH2+]Cc2csnn2)c2cccc(F)c2)c1 ZINC001168814845 1132568049 /nfs/dbraw/zinc/56/80/49/1132568049.db2.gz YMOKCYVUUBOTIV-KRWDZBQOSA-N 1 2 331.391 3.890 20 0 EHADLO Cc1cc2cc(N[C@H]3CCCN(C(=O)c4ccccc4)C3)[nH+]cc2[nH]1 ZINC001168894285 1132590589 /nfs/dbraw/zinc/59/05/89/1132590589.db2.gz XVIAPRPVARXXPI-KRWDZBQOSA-N 1 2 334.423 3.588 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000866982444 1132597511 /nfs/dbraw/zinc/59/75/11/1132597511.db2.gz VTKVZJNSKMOBLR-SFHVURJKSA-N 1 2 333.435 3.522 20 0 EHADLO Cc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c(N(C)C)[nH+]1 ZINC000766540568 1132612787 /nfs/dbraw/zinc/61/27/87/1132612787.db2.gz GPDRNTMQISPSAI-QGZVFWFLSA-N 1 2 339.439 3.602 20 0 EHADLO CC(=O)c1ccc(Nc2ccc(N(C)C)[nH+]c2)c(Br)c1 ZINC001175344222 1132627917 /nfs/dbraw/zinc/62/79/17/1132627917.db2.gz BPBSLCKSPRQBLN-UHFFFAOYSA-N 1 2 334.217 3.856 20 0 EHADLO FC(F)(F)c1cn2cc(NCCc3cn4ccccc4[nH+]3)ccc2n1 ZINC001169004988 1132630236 /nfs/dbraw/zinc/63/02/36/1132630236.db2.gz KXKRQXLWMWBSNC-UHFFFAOYSA-N 1 2 345.328 3.655 20 0 EHADLO Fc1c(F)c(F)c(NCCc2cn3ccccc3[nH+]2)c(F)c1F ZINC001169005601 1132630354 /nfs/dbraw/zinc/63/03/54/1132630354.db2.gz USRCJNAPHVCLQY-UHFFFAOYSA-N 1 2 327.256 3.684 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c(F)c1 ZINC001175320461 1132637887 /nfs/dbraw/zinc/63/78/87/1132637887.db2.gz GNYKRDGAGDDADZ-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO COc1ncc(C)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001175336091 1132641663 /nfs/dbraw/zinc/64/16/63/1132641663.db2.gz CDGJIQSFWLIUJF-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO COc1ncc(C)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001175336684 1132642333 /nfs/dbraw/zinc/64/23/33/1132642333.db2.gz ZBYXTLHJHMJFHR-UHFFFAOYSA-N 1 2 333.189 3.552 20 0 EHADLO Fc1ncc(C(F)(F)F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351098 1132645700 /nfs/dbraw/zinc/64/57/00/1132645700.db2.gz LZEHAIFTAUGQIG-UHFFFAOYSA-N 1 2 326.297 3.978 20 0 EHADLO COC(=O)c1cc(C)c(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352712 1132647612 /nfs/dbraw/zinc/64/76/12/1132647612.db2.gz NOBSDRUWNSMZBS-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO Brc1c[nH+]c2ccc(Nc3ccc4nccnc4c3)cn12 ZINC001175486176 1132681521 /nfs/dbraw/zinc/68/15/21/1132681521.db2.gz FGGROWOPYVPEEI-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCCC2=CCCCCC2)c1C ZINC000766607569 1132685620 /nfs/dbraw/zinc/68/56/20/1132685620.db2.gz VDSJLGMSIVHKET-UHFFFAOYSA-N 1 2 331.460 3.787 20 0 EHADLO Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc2c[nH]nc21 ZINC001175516794 1132697172 /nfs/dbraw/zinc/69/71/72/1132697172.db2.gz HJCUAOONQJBRIF-OKILXGFUSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1ccnc(CCNc2c(Br)c[nH+]c3ccccc32)c1 ZINC001169317353 1132721193 /nfs/dbraw/zinc/72/11/93/1132721193.db2.gz DCPKODYVARKILX-UHFFFAOYSA-N 1 2 342.240 3.777 20 0 EHADLO COC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1C ZINC001175712989 1132740884 /nfs/dbraw/zinc/74/08/84/1132740884.db2.gz WOXZBISPKHEENV-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO Brc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC001175746257 1132752066 /nfs/dbraw/zinc/75/20/66/1132752066.db2.gz FLUPBJKYMVLHKR-UHFFFAOYSA-N 1 2 329.201 3.833 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)NCCCN(C)c2cccc[nH+]2)CC(C)(C)C1 ZINC001175706420 1132753643 /nfs/dbraw/zinc/75/36/43/1132753643.db2.gz CXKHZFKKOPZJPL-SJORKVTESA-N 1 2 331.504 3.877 20 0 EHADLO COC(=O)C1(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001175920470 1132797669 /nfs/dbraw/zinc/79/76/69/1132797669.db2.gz YOPWDNPORHNHRE-UHFFFAOYSA-N 1 2 347.418 3.880 20 0 EHADLO CCCc1cc(N[C@H]2CCc3ccccc3[C@@H]2O)nc(CCC)[nH+]1 ZINC001169620782 1132798735 /nfs/dbraw/zinc/79/87/35/1132798735.db2.gz BZKFJGLEKWBZEK-PXNSSMCTSA-N 1 2 325.456 3.842 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(N[C@H]2CCc3ccccc3[C@@H]2O)c1C ZINC001169627270 1132800720 /nfs/dbraw/zinc/80/07/20/1132800720.db2.gz RRZMYMZIALTQCP-IRXDYDNUSA-N 1 2 325.456 3.851 20 0 EHADLO COc1ncc(C[N@@H+]2CCC[C@@H]2c2nc(C)c(C)[nH]2)c2ccccc21 ZINC001176079263 1132829525 /nfs/dbraw/zinc/82/95/25/1132829525.db2.gz XLBQJKKMWBTCQK-GOSISDBHSA-N 1 2 336.439 3.920 20 0 EHADLO COc1ncc(C[N@H+]2CCC[C@@H]2c2nc(C)c(C)[nH]2)c2ccccc21 ZINC001176079263 1132829533 /nfs/dbraw/zinc/82/95/33/1132829533.db2.gz XLBQJKKMWBTCQK-GOSISDBHSA-N 1 2 336.439 3.920 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC001176133065 1132841896 /nfs/dbraw/zinc/84/18/96/1132841896.db2.gz IRSXTSBSZAPJEM-UHFFFAOYSA-N 1 2 344.415 3.990 20 0 EHADLO CC1(c2cc[nH+]c(N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)OCCO1 ZINC001169757364 1132847472 /nfs/dbraw/zinc/84/74/72/1132847472.db2.gz DOPUFPXLLSGIAG-QZTJIDSGSA-N 1 2 340.423 3.633 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)OC(C)(C)C)cc1OC ZINC001176123099 1132852885 /nfs/dbraw/zinc/85/28/85/1132852885.db2.gz IVPMVOYFSLQMPE-UHFFFAOYSA-N 1 2 330.384 3.798 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)c(OC)c(Br)c1 ZINC001176124025 1132853660 /nfs/dbraw/zinc/85/36/60/1132853660.db2.gz GLGIOEPSNCIADW-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000766825955 1132854772 /nfs/dbraw/zinc/85/47/72/1132854772.db2.gz FPRCNCNJGREDPU-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000766825955 1132854777 /nfs/dbraw/zinc/85/47/77/1132854777.db2.gz FPRCNCNJGREDPU-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000766825955 1132854783 /nfs/dbraw/zinc/85/47/83/1132854783.db2.gz FPRCNCNJGREDPU-UHFFFAOYSA-N 1 2 338.229 3.550 20 0 EHADLO COCOc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001176188371 1132860308 /nfs/dbraw/zinc/86/03/08/1132860308.db2.gz IGJKOYODWBEXEY-UHFFFAOYSA-N 1 2 331.391 3.937 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cccnc3Cl)cc2)[nH+]c1C ZINC001176209967 1132874453 /nfs/dbraw/zinc/87/44/53/1132874453.db2.gz DJQUBLIELOSMKI-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3ccc4c(c3)CCC4=O)c[nH+]2)C[C@H](C)O1 ZINC001176232619 1132881910 /nfs/dbraw/zinc/88/19/10/1132881910.db2.gz MAVOLKKKENSCPA-OKILXGFUSA-N 1 2 337.423 3.568 20 0 EHADLO CC1(c2cc[nH+]c(NCc3ccc(-c4ccccn4)cc3)c2)OCCO1 ZINC001169889553 1132882511 /nfs/dbraw/zinc/88/25/11/1132882511.db2.gz RUHHSHNDYDRNQJ-UHFFFAOYSA-N 1 2 347.418 3.975 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC001169898308 1132891480 /nfs/dbraw/zinc/89/14/80/1132891480.db2.gz AIYXRQGGILJGCO-RDJZCZTQSA-N 1 2 334.529 3.877 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC001169898308 1132891489 /nfs/dbraw/zinc/89/14/89/1132891489.db2.gz AIYXRQGGILJGCO-RDJZCZTQSA-N 1 2 334.529 3.877 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1N(C)C ZINC000103457646 1132899186 /nfs/dbraw/zinc/89/91/86/1132899186.db2.gz DBCQGPBOAPCEOL-MRXNPFEDSA-N 1 2 345.516 3.856 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1N(C)C ZINC000103457646 1132899195 /nfs/dbraw/zinc/89/91/95/1132899195.db2.gz DBCQGPBOAPCEOL-MRXNPFEDSA-N 1 2 345.516 3.856 20 0 EHADLO CC(C)n1c(=S)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1N(C)C ZINC000103458135 1132899977 /nfs/dbraw/zinc/89/99/77/1132899977.db2.gz QTVRRALIXQTBCO-MRXNPFEDSA-N 1 2 345.516 3.508 20 0 EHADLO CC(C)n1c(=S)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc1N(C)C ZINC000103458135 1132899987 /nfs/dbraw/zinc/89/99/87/1132899987.db2.gz QTVRRALIXQTBCO-MRXNPFEDSA-N 1 2 345.516 3.508 20 0 EHADLO COc1ccc2c(c1)NC(=O)C[C@H]2CNc1ccc([NH+](C)C)c(C)c1 ZINC001169924086 1132905729 /nfs/dbraw/zinc/90/57/29/1132905729.db2.gz KTKBJZUCWFAWEP-AWEZNQCLSA-N 1 2 339.439 3.608 20 0 EHADLO Fc1cc(Nc2ccccc2-n2cc[nH+]c2)cc(N2CCOCC2)c1 ZINC001176499734 1132949579 /nfs/dbraw/zinc/94/95/79/1132949579.db2.gz HWGJQXUYDCFOGF-UHFFFAOYSA-N 1 2 338.386 3.592 20 0 EHADLO O[C@H]1CCN(c2ccc(NC=Cc3ccc(C(F)(F)F)cc3)c[nH+]2)C1 ZINC001176661273 1132986309 /nfs/dbraw/zinc/98/63/09/1132986309.db2.gz OAHJOFICAWZLNN-DYLHUKMJSA-N 1 2 349.356 3.754 20 0 EHADLO COc1ccccc1-c1cc(Nc2ccc[nH+]c2N2CCCC2)n(C)n1 ZINC001176744790 1132992232 /nfs/dbraw/zinc/99/22/32/1132992232.db2.gz ZTAFMLZZILVCRX-UHFFFAOYSA-N 1 2 349.438 3.835 20 0 EHADLO COc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1C(F)(F)F ZINC001176749621 1132992280 /nfs/dbraw/zinc/99/22/80/1132992280.db2.gz IPABSARPZUULMI-UHFFFAOYSA-N 1 2 338.333 3.848 20 0 EHADLO FC(F)(F)COc1ccc(Nc2ccc[nH+]c2N2CCCC2)cn1 ZINC001176750016 1132992989 /nfs/dbraw/zinc/99/29/89/1132992989.db2.gz LZYTZEVRERYSAC-UHFFFAOYSA-N 1 2 338.333 3.762 20 0 EHADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc2ccc(-c3ccccc3)nc21 ZINC001176833773 1133003811 /nfs/dbraw/zinc/00/38/11/1133003811.db2.gz WJUKIWVXBJVJJU-UHFFFAOYSA-N 1 2 328.375 3.806 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001176832091 1133004521 /nfs/dbraw/zinc/00/45/21/1133004521.db2.gz HPMJHFNEYYGGIS-OAHLLOKOSA-N 1 2 337.345 3.725 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897219 1133013183 /nfs/dbraw/zinc/01/31/83/1133013183.db2.gz KWLUQUGSKUFNMG-KGLIPLIRSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897219 1133013186 /nfs/dbraw/zinc/01/31/86/1133013186.db2.gz KWLUQUGSKUFNMG-KGLIPLIRSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897220 1133013894 /nfs/dbraw/zinc/01/38/94/1133013894.db2.gz KWLUQUGSKUFNMG-UONOGXRCSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@H]1CCC(F)(F)C[N@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176897220 1133013899 /nfs/dbraw/zinc/01/38/99/1133013899.db2.gz KWLUQUGSKUFNMG-UONOGXRCSA-N 1 2 332.435 3.753 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC[C@@H]3C=CCC3)cn2c1 ZINC001176910313 1133014458 /nfs/dbraw/zinc/01/44/58/1133014458.db2.gz MTRFKISPJAMTMX-MRXNPFEDSA-N 1 2 343.496 3.739 20 0 EHADLO Cc1cc2ccc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)cc2[nH]1 ZINC001176967255 1133017885 /nfs/dbraw/zinc/01/78/85/1133017885.db2.gz IBWLDKJWSNQEJP-INIZCTEOSA-N 1 2 334.423 3.726 20 0 EHADLO CN(CCCn1cc[nH+]c1)Cn1nc(-c2ccccc2)sc1=S ZINC000767753650 1133047714 /nfs/dbraw/zinc/04/77/14/1133047714.db2.gz DGNSEZHRHXMKNK-UHFFFAOYSA-N 1 2 345.497 3.517 20 0 EHADLO Cc1nccc2c(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)cccc12 ZINC001177506636 1133071496 /nfs/dbraw/zinc/07/14/96/1133071496.db2.gz DQTIWNABHSJQTF-OAHLLOKOSA-N 1 2 348.328 3.872 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767941449 1133073255 /nfs/dbraw/zinc/07/32/55/1133073255.db2.gz WKFUZUONEGCTQK-SUMWQHHRSA-N 1 2 333.476 3.817 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000768138945 1133100665 /nfs/dbraw/zinc/10/06/65/1133100665.db2.gz SLZFVGNAWFEJFD-SMYYYNMVSA-N 1 2 335.860 3.554 20 0 EHADLO CC[C@H](C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000768158593 1133102266 /nfs/dbraw/zinc/10/22/66/1133102266.db2.gz ZCGPPPFJVVEOSZ-YJBOKZPZSA-N 1 2 325.456 3.953 20 0 EHADLO Cc1cccc2nc(C[NH2+]Cc3cc(F)ccc3OC(F)F)cn21 ZINC001177810148 1133105453 /nfs/dbraw/zinc/10/54/53/1133105453.db2.gz JDXQSTGYOVDOGL-UHFFFAOYSA-N 1 2 335.329 3.673 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001177993095 1133127071 /nfs/dbraw/zinc/12/70/71/1133127071.db2.gz HJYBNODYUSQJTE-UHFFFAOYSA-N 1 2 335.411 3.570 20 0 EHADLO c1ccc(N2CCOCC2)c(CNc2ccc([NH+]3CCCC3)cc2)c1 ZINC001178124315 1133138149 /nfs/dbraw/zinc/13/81/49/1133138149.db2.gz BCWMNQLJGBMPSK-UHFFFAOYSA-N 1 2 337.467 3.736 20 0 EHADLO Fc1cccn2cc(C[NH+]3CCC(Oc4ccccc4)CC3)nc12 ZINC000768528408 1133150457 /nfs/dbraw/zinc/15/04/57/1133150457.db2.gz RJXMIEKHSMQGKY-UHFFFAOYSA-N 1 2 325.387 3.517 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H](F)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000768990417 1133211249 /nfs/dbraw/zinc/21/12/49/1133211249.db2.gz MMGINGUVMSBNFH-HNAYVOBHSA-N 1 2 342.414 3.729 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)[nH+]1 ZINC001179091793 1133227051 /nfs/dbraw/zinc/22/70/51/1133227051.db2.gz DJRYFFVQLWONLZ-UHFFFAOYSA-N 1 2 344.802 3.772 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)c[nH+]1 ZINC001179091793 1133227057 /nfs/dbraw/zinc/22/70/57/1133227057.db2.gz DJRYFFVQLWONLZ-UHFFFAOYSA-N 1 2 344.802 3.772 20 0 EHADLO CCc1nocc1C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC001179091663 1133227233 /nfs/dbraw/zinc/22/72/33/1133227233.db2.gz WCLMSDUDAKIMJH-UHFFFAOYSA-N 1 2 327.359 3.853 20 0 EHADLO Brc1ccc2[nH]c(NCc3ccc4c(n3)CCC4)[nH+]c2c1 ZINC001179484694 1133253984 /nfs/dbraw/zinc/25/39/84/1133253984.db2.gz ORZINZVHZYYUSU-UHFFFAOYSA-N 1 2 343.228 3.821 20 0 EHADLO Brc1ccc2[nH+]c(NCc3ccc4c(n3)CCC4)[nH]c2c1 ZINC001179484694 1133253987 /nfs/dbraw/zinc/25/39/87/1133253987.db2.gz ORZINZVHZYYUSU-UHFFFAOYSA-N 1 2 343.228 3.821 20 0 EHADLO Oc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1Cl ZINC001179507136 1133257383 /nfs/dbraw/zinc/25/73/83/1133257383.db2.gz QOJWOIDFCHNYIH-UHFFFAOYSA-N 1 2 345.599 3.632 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000769338672 1133266919 /nfs/dbraw/zinc/26/69/19/1133266919.db2.gz NDSAJUIYVWCZSV-LLVKDONJSA-N 1 2 328.218 3.856 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000769338672 1133266923 /nfs/dbraw/zinc/26/69/23/1133266923.db2.gz NDSAJUIYVWCZSV-LLVKDONJSA-N 1 2 328.218 3.856 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000769554904 1133314047 /nfs/dbraw/zinc/31/40/47/1133314047.db2.gz FMZOPQBEQONTPA-UHFFFAOYSA-N 1 2 329.831 3.834 20 0 EHADLO COCn1ncc(C)c1C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC001180046910 1133315526 /nfs/dbraw/zinc/31/55/26/1133315526.db2.gz AZUBGQKKSOCUOC-UHFFFAOYSA-N 1 2 333.435 3.978 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001180057479 1133323282 /nfs/dbraw/zinc/32/32/82/1133323282.db2.gz FWTKZZOPBFQDCU-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001180057479 1133323285 /nfs/dbraw/zinc/32/32/85/1133323285.db2.gz FWTKZZOPBFQDCU-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO COc1cc(F)c(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1OC ZINC001180165307 1133341478 /nfs/dbraw/zinc/34/14/78/1133341478.db2.gz HALSAXSRLJZCBN-ZDUSSCGKSA-N 1 2 331.387 3.799 20 0 EHADLO COc1cc(F)c(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1OC ZINC001180165307 1133341482 /nfs/dbraw/zinc/34/14/82/1133341482.db2.gz HALSAXSRLJZCBN-ZDUSSCGKSA-N 1 2 331.387 3.799 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccs1)Cc1cccnc1N ZINC001180359372 1133359885 /nfs/dbraw/zinc/35/98/85/1133359885.db2.gz JOJYMJUPGVSOIW-UHFFFAOYSA-N 1 2 339.464 3.936 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccnc1N ZINC001180359372 1133359890 /nfs/dbraw/zinc/35/98/90/1133359890.db2.gz JOJYMJUPGVSOIW-UHFFFAOYSA-N 1 2 339.464 3.936 20 0 EHADLO Cc1cccc(CN2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)c1 ZINC001180413349 1133372113 /nfs/dbraw/zinc/37/21/13/1133372113.db2.gz SSXPRSLTCPBEST-UHFFFAOYSA-N 1 2 336.479 3.638 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001180707203 1133408869 /nfs/dbraw/zinc/40/88/69/1133408869.db2.gz GCUISRKANLWWJX-DNVCBOLYSA-N 1 2 342.870 3.925 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001180707203 1133408873 /nfs/dbraw/zinc/40/88/73/1133408873.db2.gz GCUISRKANLWWJX-DNVCBOLYSA-N 1 2 342.870 3.925 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1ncccc1C)Cc1ccccc1Cl ZINC001180702728 1133408924 /nfs/dbraw/zinc/40/89/24/1133408924.db2.gz QIFZBFDXTSYJIZ-HNNXBMFYSA-N 1 2 345.874 3.743 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1ncccc1C)Cc1ccccc1Cl ZINC001180702728 1133408927 /nfs/dbraw/zinc/40/89/27/1133408927.db2.gz QIFZBFDXTSYJIZ-HNNXBMFYSA-N 1 2 345.874 3.743 20 0 EHADLO COc1ccccc1NC(=O)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000746501538 1133426793 /nfs/dbraw/zinc/42/67/93/1133426793.db2.gz DBFLBSCLBJGQQX-RAXLEYEMSA-N 1 2 343.254 3.665 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@@H](CO)O1 ZINC001180916368 1133427944 /nfs/dbraw/zinc/42/79/44/1133427944.db2.gz CBSHONBCLJRXHJ-PBHICJAKSA-N 1 2 331.843 3.589 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@@H](CO)O1 ZINC001180916368 1133427947 /nfs/dbraw/zinc/42/79/47/1133427947.db2.gz CBSHONBCLJRXHJ-PBHICJAKSA-N 1 2 331.843 3.589 20 0 EHADLO CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C12CCCCC2 ZINC000770433621 1133429799 /nfs/dbraw/zinc/42/97/99/1133429799.db2.gz VGKUPQQZVHHZIY-IAGOWNOFSA-N 1 2 341.455 3.534 20 0 EHADLO CCOC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001181152676 1133460750 /nfs/dbraw/zinc/46/07/50/1133460750.db2.gz GQKGQOAZJHYXOP-CQSZACIVSA-N 1 2 347.286 3.527 20 0 EHADLO Oc1ccc(C[NH2+]Cc2ccsc2Br)c(F)c1F ZINC001181196281 1133465530 /nfs/dbraw/zinc/46/55/30/1133465530.db2.gz KPKKRENAECAJNT-UHFFFAOYSA-N 1 2 334.185 3.784 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770920062 1133484103 /nfs/dbraw/zinc/48/41/03/1133484103.db2.gz IRYGCNLJEINSEV-INIZCTEOSA-N 1 2 326.421 3.948 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)OCc1cccc2[nH+]ccn21 ZINC000770924035 1133484818 /nfs/dbraw/zinc/48/48/18/1133484818.db2.gz AIWYXAJYCBHBOM-UHFFFAOYSA-N 1 2 335.190 3.927 20 0 EHADLO O=C(Cc1c(Cl)cccc1Cl)OCc1cccc2[nH+]ccn21 ZINC000770924409 1133485034 /nfs/dbraw/zinc/48/50/34/1133485034.db2.gz FXHQPZYRBYFQDC-UHFFFAOYSA-N 1 2 335.190 3.927 20 0 EHADLO Cc1cc(Br)cn2c(CN3CCC[C@](C)(F)C3)c[nH+]c12 ZINC001181986003 1133557624 /nfs/dbraw/zinc/55/76/24/1133557624.db2.gz JNNBRDUZNGWAMI-HNNXBMFYSA-N 1 2 340.240 3.729 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1cc(Cl)ccc1OC(F)F ZINC000771674034 1133587901 /nfs/dbraw/zinc/58/79/01/1133587901.db2.gz LAZGTTGNXTZXPC-UHFFFAOYSA-N 1 2 341.745 3.578 20 0 EHADLO CCn1cc(NC(=O)[C@@H](c2ccccc2Cl)[NH+](CC)CC)cn1 ZINC001182218127 1133597810 /nfs/dbraw/zinc/59/78/10/1133597810.db2.gz GWDWCFCGSAXGOP-MRXNPFEDSA-N 1 2 334.851 3.578 20 0 EHADLO CC[C@H](C)C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001182573722 1133701995 /nfs/dbraw/zinc/70/19/95/1133701995.db2.gz BWHUBVVTYNEGMB-OZVIIMIRSA-N 1 2 329.843 3.978 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[NH2+]C1CCC(C)(C)CC1 ZINC001182595300 1133706482 /nfs/dbraw/zinc/70/64/82/1133706482.db2.gz RPJXPFCVASMUPQ-QGZVFWFLSA-N 1 2 332.488 3.893 20 0 EHADLO CC(=O)Nc1ccccc1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182624635 1133706559 /nfs/dbraw/zinc/70/65/59/1133706559.db2.gz ALIKEJDZZCUEIW-UHFFFAOYSA-N 1 2 346.430 3.502 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)OCc1ccccc1 ZINC001182624842 1133707535 /nfs/dbraw/zinc/70/75/35/1133707535.db2.gz HFSBBSBNQLIVOR-CGTJXYLNSA-N 1 2 345.483 3.834 20 0 EHADLO CC(=O)[C@@H]1C[C@H](CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000772655514 1133712432 /nfs/dbraw/zinc/71/24/32/1133712432.db2.gz IIBHLKJBTUCFSA-AEFFLSMTSA-N 1 2 340.423 3.557 20 0 EHADLO O=C(/C=C/c1ccsc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785609795 1133725840 /nfs/dbraw/zinc/72/58/40/1133725840.db2.gz IZACDDYHMHJTCJ-SNAWJCMRSA-N 1 2 346.883 3.589 20 0 EHADLO O=C(/C=C/c1ccsc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785609795 1133725843 /nfs/dbraw/zinc/72/58/43/1133725843.db2.gz IZACDDYHMHJTCJ-SNAWJCMRSA-N 1 2 346.883 3.589 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000785567389 1133728105 /nfs/dbraw/zinc/72/81/05/1133728105.db2.gz XFBGUJYINLGJJX-RDJZCZTQSA-N 1 2 326.444 3.640 20 0 EHADLO COc1ccc([C@@H](C(=O)NCc2c[nH+]cn2C2CCC2)C(C)C)cc1 ZINC001182993342 1133754896 /nfs/dbraw/zinc/75/48/96/1133754896.db2.gz AHQHQVIWOJYHAF-IBGZPJMESA-N 1 2 341.455 3.673 20 0 EHADLO CCOC[C@@H]1C[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001183248382 1133785113 /nfs/dbraw/zinc/78/51/13/1133785113.db2.gz NBXRBMPKMGCPRO-FQEVSTJZSA-N 1 2 345.414 3.855 20 0 EHADLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001183248382 1133785119 /nfs/dbraw/zinc/78/51/19/1133785119.db2.gz NBXRBMPKMGCPRO-FQEVSTJZSA-N 1 2 345.414 3.855 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758827 1133848179 /nfs/dbraw/zinc/84/81/79/1133848179.db2.gz XJBCMFNFVFXDRV-WOJBJXKFSA-N 1 2 340.442 3.914 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC001183758827 1133848182 /nfs/dbraw/zinc/84/81/82/1133848182.db2.gz XJBCMFNFVFXDRV-WOJBJXKFSA-N 1 2 340.442 3.914 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CSCC(F)(F)F ZINC000786466996 1133857916 /nfs/dbraw/zinc/85/79/16/1133857916.db2.gz WUAMXPFCYBSRNN-UHFFFAOYSA-N 1 2 344.358 3.519 20 0 EHADLO Fc1cccc2cc(C[N@@H+]3CCS[C@H](C(F)(F)F)C3)cnc12 ZINC001183831427 1133861912 /nfs/dbraw/zinc/86/19/12/1133861912.db2.gz BQQVZCPWAQHARR-ZDUSSCGKSA-N 1 2 330.350 3.854 20 0 EHADLO Fc1cccc2cc(C[N@H+]3CCS[C@H](C(F)(F)F)C3)cnc12 ZINC001183831427 1133861923 /nfs/dbraw/zinc/86/19/23/1133861923.db2.gz BQQVZCPWAQHARR-ZDUSSCGKSA-N 1 2 330.350 3.854 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC001183855321 1133865988 /nfs/dbraw/zinc/86/59/88/1133865988.db2.gz OKRJNBISNMUHSO-BHDSKKPTSA-N 1 2 348.390 3.655 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC001183855321 1133865997 /nfs/dbraw/zinc/86/59/97/1133865997.db2.gz OKRJNBISNMUHSO-BHDSKKPTSA-N 1 2 348.390 3.655 20 0 EHADLO CC(C)[C@H](Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21)c1ccc(F)cc1 ZINC001170060849 1133880475 /nfs/dbraw/zinc/88/04/75/1133880475.db2.gz VQKBOBPLDDASAG-OWJWWREXSA-N 1 2 346.431 3.644 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccn1)C(=O)OC(C)(C)C ZINC001184364796 1133935768 /nfs/dbraw/zinc/93/57/68/1133935768.db2.gz XYVLZRYPPVBDLV-SJLPKXTDSA-N 1 2 340.467 3.728 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Br)nn2C)c1 ZINC000787081814 1133947532 /nfs/dbraw/zinc/94/75/32/1133947532.db2.gz BZARFUFMINCVJX-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Br)nn2C)c1 ZINC000787081814 1133947535 /nfs/dbraw/zinc/94/75/35/1133947535.db2.gz BZARFUFMINCVJX-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO C[C@]12C[C@@H]3C[C@](C(=O)NCCOc4cc[nH+]cc4)(C1)C[C@@](C)(C3)C2 ZINC001184499783 1133951611 /nfs/dbraw/zinc/95/16/11/1133951611.db2.gz NJWFDGDFGFAJEP-DAILNLJWSA-N 1 2 328.456 3.573 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3c(C)cccc3Cl)n2c1 ZINC001184546437 1133951665 /nfs/dbraw/zinc/95/16/65/1133951665.db2.gz IWOSQOKVIHBYPI-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001184564505 1133957914 /nfs/dbraw/zinc/95/79/14/1133957914.db2.gz HOXVBCINSHKXJQ-CQSZACIVSA-N 1 2 344.846 3.834 20 0 EHADLO CCOCCOCC[N@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000787236526 1133982926 /nfs/dbraw/zinc/98/29/26/1133982926.db2.gz HDMCPCJYRYEUQK-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO CCOCCOCC[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000787236526 1133982931 /nfs/dbraw/zinc/98/29/31/1133982931.db2.gz HDMCPCJYRYEUQK-UHFFFAOYSA-N 1 2 344.864 3.560 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1ccccc1OC ZINC000787278322 1133983784 /nfs/dbraw/zinc/98/37/84/1133983784.db2.gz DGMSPCAVOWCMTQ-PBHICJAKSA-N 1 2 343.475 3.989 20 0 EHADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000787272102 1133987945 /nfs/dbraw/zinc/98/79/45/1133987945.db2.gz ORLFPYBSJURGNB-FJVVXJACSA-N 1 2 346.272 3.860 20 0 EHADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000787272102 1133987951 /nfs/dbraw/zinc/98/79/51/1133987951.db2.gz ORLFPYBSJURGNB-FJVVXJACSA-N 1 2 346.272 3.860 20 0 EHADLO CCOC(=O)c1ccc(C)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184968976 1134009550 /nfs/dbraw/zinc/00/95/50/1134009550.db2.gz SAIYGQJQDLFRSB-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000787776713 1134039847 /nfs/dbraw/zinc/03/98/47/1134039847.db2.gz OHHNEIBNOQNHMN-UHFFFAOYSA-N 1 2 330.255 3.765 20 0 EHADLO Clc1cccc(Cl)c1CCC[N@H+]1CCCC2(C1)OCCO2 ZINC000787776713 1134039853 /nfs/dbraw/zinc/03/98/53/1134039853.db2.gz OHHNEIBNOQNHMN-UHFFFAOYSA-N 1 2 330.255 3.765 20 0 EHADLO Cc1ccc(OCCNc2nc3ccccc3n3c[nH+]cc23)c(C)c1 ZINC001185149362 1134047633 /nfs/dbraw/zinc/04/76/33/1134047633.db2.gz NQTVLMHNLHZIAA-UHFFFAOYSA-N 1 2 332.407 3.990 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1c(F)cccc1F ZINC000774864066 1134081500 /nfs/dbraw/zinc/08/15/00/1134081500.db2.gz MDPWTWWTRWMEFI-SNVBAGLBSA-N 1 2 331.318 3.628 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C)c3Cl)[nH+]c12 ZINC000746730918 1134089309 /nfs/dbraw/zinc/08/93/09/1134089309.db2.gz XFQVKXOQHPUQNE-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000788240316 1134099531 /nfs/dbraw/zinc/09/95/31/1134099531.db2.gz DLOXYONQSPQMTO-YIOZNXECSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000788240316 1134099534 /nfs/dbraw/zinc/09/95/34/1134099534.db2.gz DLOXYONQSPQMTO-YIOZNXECSA-N 1 2 341.499 3.867 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)CC[C@H](C)CC ZINC001185562772 1134106453 /nfs/dbraw/zinc/10/64/53/1134106453.db2.gz GUZCUXUFIPSGRS-CYBMUJFWSA-N 1 2 330.432 3.603 20 0 EHADLO S=C(Nc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788337715 1134111284 /nfs/dbraw/zinc/11/12/84/1134111284.db2.gz NMUPISGGHIVOID-UHFFFAOYSA-N 1 2 340.496 3.796 20 0 EHADLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cnc(Cl)cn1 ZINC000788487860 1134131396 /nfs/dbraw/zinc/13/13/96/1134131396.db2.gz JUCLNOYTFAOEDA-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cnc(Cl)cn1 ZINC000788487860 1134131399 /nfs/dbraw/zinc/13/13/99/1134131399.db2.gz JUCLNOYTFAOEDA-UHFFFAOYSA-N 1 2 331.725 3.661 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([N@H+](C)Cc3cccc(C)n3)C2=O)c(C)c1 ZINC000789348434 1134253972 /nfs/dbraw/zinc/25/39/72/1134253972.db2.gz VCTSKBCHUIZEGU-LJQANCHMSA-N 1 2 337.467 3.553 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)Cc3cccc(C)n3)C2=O)c(C)c1 ZINC000789348434 1134253974 /nfs/dbraw/zinc/25/39/74/1134253974.db2.gz VCTSKBCHUIZEGU-LJQANCHMSA-N 1 2 337.467 3.553 20 0 EHADLO CCc1c(C(=O)OCc2cccc3[nH+]ccn32)cnn1C1CCCC1 ZINC000789398919 1134269808 /nfs/dbraw/zinc/26/98/08/1134269808.db2.gz FERYBTYCEGPTNF-UHFFFAOYSA-N 1 2 338.411 3.565 20 0 EHADLO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000789503678 1134286755 /nfs/dbraw/zinc/28/67/55/1134286755.db2.gz IHPZMYBXHSSBBG-MRXNPFEDSA-N 1 2 337.332 3.755 20 0 EHADLO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000789503678 1134286759 /nfs/dbraw/zinc/28/67/59/1134286759.db2.gz IHPZMYBXHSSBBG-MRXNPFEDSA-N 1 2 337.332 3.755 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000775102322 1134310017 /nfs/dbraw/zinc/31/00/17/1134310017.db2.gz DTYOBCPPXCDOJH-GFCCVEGCSA-N 1 2 342.443 3.566 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000789792065 1134335891 /nfs/dbraw/zinc/33/58/91/1134335891.db2.gz RFUCGFHINIXVGV-UHFFFAOYSA-N 1 2 337.423 3.570 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425855 1134414612 /nfs/dbraw/zinc/41/46/12/1134414612.db2.gz DNOAXRWBVJVTAG-HUUCEWRRSA-N 1 2 332.271 3.774 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000790425855 1134414615 /nfs/dbraw/zinc/41/46/15/1134414615.db2.gz DNOAXRWBVJVTAG-HUUCEWRRSA-N 1 2 332.271 3.774 20 0 EHADLO CCn1ccc(C[N@H+](C)Cn2ccn(Cc3ccccc3)c2=S)c1 ZINC000790451733 1134420477 /nfs/dbraw/zinc/42/04/77/1134420477.db2.gz QETICXYEUVADKY-UHFFFAOYSA-N 1 2 340.496 3.978 20 0 EHADLO CCn1ccc(C[N@@H+](C)Cn2ccn(Cc3ccccc3)c2=S)c1 ZINC000790451733 1134420482 /nfs/dbraw/zinc/42/04/82/1134420482.db2.gz QETICXYEUVADKY-UHFFFAOYSA-N 1 2 340.496 3.978 20 0 EHADLO O=C1O[C@@H](CSc2[nH+]cc3ccccn32)CN1C1CCCCC1 ZINC001188153992 1134434686 /nfs/dbraw/zinc/43/46/86/1134434686.db2.gz BOLLUVCSWVBKGC-OAHLLOKOSA-N 1 2 331.441 3.580 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1c(C)ccc(C(C)C)c1O ZINC001188181433 1134437474 /nfs/dbraw/zinc/43/74/74/1134437474.db2.gz KHFAJEUDKSUYNQ-UHFFFAOYSA-N 1 2 347.484 3.519 20 0 EHADLO O=C(c1ccccc1C(F)F)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001188285019 1134449972 /nfs/dbraw/zinc/44/99/72/1134449972.db2.gz OAONMKSIMONWMQ-AWEZNQCLSA-N 1 2 344.352 3.570 20 0 EHADLO COCOc1ccc(OC)cc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000775169626 1134473243 /nfs/dbraw/zinc/47/32/43/1134473243.db2.gz ZUQKYPPCQOEWMD-UHFFFAOYSA-N 1 2 333.403 3.757 20 0 EHADLO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000775169626 1134473245 /nfs/dbraw/zinc/47/32/45/1134473245.db2.gz ZUQKYPPCQOEWMD-UHFFFAOYSA-N 1 2 333.403 3.757 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO[C@H]1CCCC[C@H]1C ZINC000791382011 1134537836 /nfs/dbraw/zinc/53/78/36/1134537836.db2.gz JWXXDKKEGUBUMR-BEFAXECRSA-N 1 2 342.439 3.819 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1cc(F)ccc1F ZINC000791398856 1134544206 /nfs/dbraw/zinc/54/42/06/1134544206.db2.gz ZRLFSNXYKYELAQ-UHFFFAOYSA-N 1 2 342.345 3.745 20 0 EHADLO Cc1[nH+]cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C ZINC001189155873 1134548498 /nfs/dbraw/zinc/54/84/98/1134548498.db2.gz VVEYBUNBEVBSCT-UHFFFAOYSA-N 1 2 336.395 3.952 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCCC(F)(F)F ZINC000791432313 1134549378 /nfs/dbraw/zinc/54/93/78/1134549378.db2.gz VJSQWYWPWWCUIT-UHFFFAOYSA-N 1 2 326.318 3.957 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1nc(Cl)ccc1F ZINC000791436511 1134550052 /nfs/dbraw/zinc/55/00/52/1134550052.db2.gz UFJOIWGQEMEGOK-UHFFFAOYSA-N 1 2 345.761 3.725 20 0 EHADLO CCC[C@@H]1C[C@@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791451446 1134554008 /nfs/dbraw/zinc/55/40/08/1134554008.db2.gz UJKGRHDGYKRPAP-QFBILLFUSA-N 1 2 342.439 3.819 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791540017 1134566427 /nfs/dbraw/zinc/56/64/27/1134566427.db2.gz JODIPVLHTKXZIL-SDXDJHTJSA-N 1 2 343.492 3.637 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791540017 1134566432 /nfs/dbraw/zinc/56/64/32/1134566432.db2.gz JODIPVLHTKXZIL-SDXDJHTJSA-N 1 2 343.492 3.637 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)OCc3cc[nH+]c(N)c3)s2)c(C)c1 ZINC000791798141 1134606369 /nfs/dbraw/zinc/60/63/69/1134606369.db2.gz OTVBJBMCBYHXJD-UHFFFAOYSA-N 1 2 339.420 3.761 20 0 EHADLO CCc1c(C(=O)OCc2cccc3[nH+]ccn32)cnn1C(CC)CC ZINC000791836469 1134617340 /nfs/dbraw/zinc/61/73/40/1134617340.db2.gz PKGLOUPLRGFUKK-UHFFFAOYSA-N 1 2 340.427 3.811 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1ccccc1-c1ccccc1 ZINC001189735863 1134623310 /nfs/dbraw/zinc/62/33/10/1134623310.db2.gz RFOFVFGIMCKISV-UHFFFAOYSA-N 1 2 333.391 3.949 20 0 EHADLO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791931686 1134628611 /nfs/dbraw/zinc/62/86/11/1134628611.db2.gz UPCOPRFYQVOZCF-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO C[C@@H](C(=O)OCc1nccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000747055349 1134642807 /nfs/dbraw/zinc/64/28/07/1134642807.db2.gz UJIKDTGPXNGTRO-HNNXBMFYSA-N 1 2 344.480 3.530 20 0 EHADLO Nc1cc(COC(=O)C2(c3c(Cl)cccc3Cl)CC2)cc[nH+]1 ZINC000792024778 1134643879 /nfs/dbraw/zinc/64/38/79/1134643879.db2.gz OSGCPONSADNKHZ-UHFFFAOYSA-N 1 2 337.206 3.746 20 0 EHADLO Nc1cc(COC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc[nH+]1 ZINC000792054421 1134645981 /nfs/dbraw/zinc/64/59/81/1134645981.db2.gz FHAXLMRYHPJQEK-UHFFFAOYSA-N 1 2 330.693 3.693 20 0 EHADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CCCC2(CC(F)C2)CC1 ZINC001190097392 1134655420 /nfs/dbraw/zinc/65/54/20/1134655420.db2.gz IVSOGYDVFUVCHJ-UHFFFAOYSA-N 1 2 327.403 3.617 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000775356308 1134663297 /nfs/dbraw/zinc/66/32/97/1134663297.db2.gz HFFNPSPBOXVIQU-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360207 1134681649 /nfs/dbraw/zinc/68/16/49/1134681649.db2.gz DWFCJEAXMXMDGR-MAUKXSAKSA-N 1 2 348.487 3.536 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360207 1134681650 /nfs/dbraw/zinc/68/16/50/1134681650.db2.gz DWFCJEAXMXMDGR-MAUKXSAKSA-N 1 2 348.487 3.536 20 0 EHADLO COCCOc1cc(NCc2nc(-c3ccccc3)cs2)cc[nH+]1 ZINC001170247963 1134731411 /nfs/dbraw/zinc/73/14/11/1134731411.db2.gz MTMDPQRAPVYYHH-UHFFFAOYSA-N 1 2 341.436 3.842 20 0 EHADLO FC(F)(F)OCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC001170252665 1134732372 /nfs/dbraw/zinc/73/23/72/1134732372.db2.gz FMLWFMNDHBJGMF-UHFFFAOYSA-N 1 2 338.167 3.734 20 0 EHADLO FC(F)(F)OCCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC001170252665 1134732378 /nfs/dbraw/zinc/73/23/78/1134732378.db2.gz FMLWFMNDHBJGMF-UHFFFAOYSA-N 1 2 338.167 3.734 20 0 EHADLO CCOC(=O)[C@@H](CCSC)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170255277 1134733578 /nfs/dbraw/zinc/73/35/78/1134733578.db2.gz OAOJEBZJAVSARN-SWLSCSKDSA-N 1 2 329.893 3.545 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925569 1134765589 /nfs/dbraw/zinc/76/55/89/1134765589.db2.gz SOWJWMABAOXCIE-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925569 1134765594 /nfs/dbraw/zinc/76/55/94/1134765594.db2.gz SOWJWMABAOXCIE-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC001191071444 1134787381 /nfs/dbraw/zinc/78/73/81/1134787381.db2.gz VPGWNVDAKCMYAE-OAHLLOKOSA-N 1 2 345.439 3.856 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOC[C@H]1CC(C)C ZINC001191071444 1134787392 /nfs/dbraw/zinc/78/73/92/1134787392.db2.gz VPGWNVDAKCMYAE-OAHLLOKOSA-N 1 2 345.439 3.856 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCc2ccccc2CC1 ZINC001191048183 1134791008 /nfs/dbraw/zinc/79/10/08/1134791008.db2.gz NEOZQYMFZNHJQS-GOSISDBHSA-N 1 2 329.827 3.655 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000792838153 1134803871 /nfs/dbraw/zinc/80/38/71/1134803871.db2.gz CJOUGCDZFKXKEN-WIYYLYMNSA-N 1 2 343.442 3.713 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000792838153 1134803875 /nfs/dbraw/zinc/80/38/75/1134803875.db2.gz CJOUGCDZFKXKEN-WIYYLYMNSA-N 1 2 343.442 3.713 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000793237223 1134882021 /nfs/dbraw/zinc/88/20/21/1134882021.db2.gz GSEBWOAXQRNWDH-UHFFFAOYSA-N 1 2 347.374 3.628 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)OCCc1c[nH+]cn1C ZINC000793240597 1134886377 /nfs/dbraw/zinc/88/63/77/1134886377.db2.gz GNKWKHHBBKNECJ-UHFFFAOYSA-N 1 2 330.453 3.878 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCn1c2ccccc2c2ccccc21 ZINC000793255005 1134890255 /nfs/dbraw/zinc/89/02/55/1134890255.db2.gz XYUKILLSFMLHBA-UHFFFAOYSA-N 1 2 347.418 3.704 20 0 EHADLO CC(C)SCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390088 1134921804 /nfs/dbraw/zinc/92/18/04/1134921804.db2.gz GAKPRKJFAUYSDS-UHFFFAOYSA-N 1 2 330.453 3.933 20 0 EHADLO Cc1cccc(C[N@H+](C)Cn2c(-c3ccccn3)csc2=O)c1C ZINC000793541377 1134952139 /nfs/dbraw/zinc/95/21/39/1134952139.db2.gz CMVYQIDPGOEECL-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cn2c(-c3ccccn3)csc2=O)c1C ZINC000793541377 1134952144 /nfs/dbraw/zinc/95/21/44/1134952144.db2.gz CMVYQIDPGOEECL-UHFFFAOYSA-N 1 2 339.464 3.678 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000793794787 1134990644 /nfs/dbraw/zinc/99/06/44/1134990644.db2.gz DCDDRMJDIKYTGU-LLVKDONJSA-N 1 2 344.322 3.556 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000793794787 1134990646 /nfs/dbraw/zinc/99/06/46/1134990646.db2.gz DCDDRMJDIKYTGU-LLVKDONJSA-N 1 2 344.322 3.556 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccccc3)nc2=S)C1 ZINC000793797998 1134991249 /nfs/dbraw/zinc/99/12/49/1134991249.db2.gz TZWXCAJSTKBRTG-CYBMUJFWSA-N 1 2 334.514 3.640 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccc3)nc2=S)C1 ZINC000793797998 1134991254 /nfs/dbraw/zinc/99/12/54/1134991254.db2.gz TZWXCAJSTKBRTG-CYBMUJFWSA-N 1 2 334.514 3.640 20 0 EHADLO CCc1c(Br)cccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001192410613 1135016561 /nfs/dbraw/zinc/01/65/61/1135016561.db2.gz HDEWNDGZSSNVCO-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001193062597 1135092994 /nfs/dbraw/zinc/09/29/94/1135092994.db2.gz RCUZCYFWZKHVHW-JKSUJKDBSA-N 1 2 335.467 3.793 20 0 EHADLO C[C@H]1CCOCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000775568738 1135095981 /nfs/dbraw/zinc/09/59/81/1135095981.db2.gz WGKMBEJSKNECCH-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1CCOCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000775568738 1135095986 /nfs/dbraw/zinc/09/59/86/1135095986.db2.gz WGKMBEJSKNECCH-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000775590580 1135124314 /nfs/dbraw/zinc/12/43/14/1135124314.db2.gz BQTAPSJNFRYJEW-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000775590580 1135124316 /nfs/dbraw/zinc/12/43/16/1135124316.db2.gz BQTAPSJNFRYJEW-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001193546061 1135146645 /nfs/dbraw/zinc/14/66/45/1135146645.db2.gz NDYTVMOKKSQQJO-PBHICJAKSA-N 1 2 329.843 3.914 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001193546061 1135146646 /nfs/dbraw/zinc/14/66/46/1135146646.db2.gz NDYTVMOKKSQQJO-PBHICJAKSA-N 1 2 329.843 3.914 20 0 EHADLO Cc1cc(Oc2ccc(NS(=O)(=O)CC3CCC3)cc2)cc[nH+]1 ZINC001193514396 1135149204 /nfs/dbraw/zinc/14/92/04/1135149204.db2.gz HROKIERNZJDSCM-UHFFFAOYSA-N 1 2 332.425 3.724 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000804719579 1135177931 /nfs/dbraw/zinc/17/79/31/1135177931.db2.gz FCJZOOKIOOLTQH-GOSISDBHSA-N 1 2 333.435 3.917 20 0 EHADLO CC(C)(C)OC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC001193872441 1135200010 /nfs/dbraw/zinc/20/00/10/1135200010.db2.gz NPTXZFJPJWEFBM-UHFFFAOYSA-N 1 2 327.827 3.942 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC001193914854 1135204661 /nfs/dbraw/zinc/20/46/61/1135204661.db2.gz YCBKOWDMPFVDBO-OALUTQOASA-N 1 2 339.435 3.882 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C)c(OC)c1 ZINC001193914854 1135204663 /nfs/dbraw/zinc/20/46/63/1135204663.db2.gz YCBKOWDMPFVDBO-OALUTQOASA-N 1 2 339.435 3.882 20 0 EHADLO CC1(C)Cc2nc(C[N@@H+]3CC[C@](O)(C(F)F)C3)sc2C(C)(C)C1 ZINC001194477770 1135276582 /nfs/dbraw/zinc/27/65/82/1135276582.db2.gz QFGLEKDEHLLUAJ-QGZVFWFLSA-N 1 2 344.471 3.595 20 0 EHADLO CC1(C)Cc2nc(C[N@H+]3CC[C@](O)(C(F)F)C3)sc2C(C)(C)C1 ZINC001194477770 1135276588 /nfs/dbraw/zinc/27/65/88/1135276588.db2.gz QFGLEKDEHLLUAJ-QGZVFWFLSA-N 1 2 344.471 3.595 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C ZINC001194648862 1135297674 /nfs/dbraw/zinc/29/76/74/1135297674.db2.gz LZPQJRJFJVJDCP-MRXNPFEDSA-N 1 2 331.378 3.935 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C ZINC001194648862 1135297680 /nfs/dbraw/zinc/29/76/80/1135297680.db2.gz LZPQJRJFJVJDCP-MRXNPFEDSA-N 1 2 331.378 3.935 20 0 EHADLO CN(CCCc1ccccc1)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194894856 1135335808 /nfs/dbraw/zinc/33/58/08/1135335808.db2.gz JKWCJAGPUNVRCE-UHFFFAOYSA-N 1 2 333.435 3.792 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)Oc3cccc(C)c3C)CC2)cs1 ZINC000805849106 1135339096 /nfs/dbraw/zinc/33/90/96/1135339096.db2.gz SVRCDZWJWXPIHL-UHFFFAOYSA-N 1 2 344.480 3.886 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccccc2-c2cc[nH]n2)c1 ZINC001194907845 1135339244 /nfs/dbraw/zinc/33/92/44/1135339244.db2.gz RWTULOTWEISNOP-UHFFFAOYSA-N 1 2 343.390 3.730 20 0 EHADLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H](CC)O1 ZINC001195300789 1135409058 /nfs/dbraw/zinc/40/90/58/1135409058.db2.gz VNZBNGYQLGTCOX-QFHJOOASSA-N 1 2 344.499 3.632 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001195301126 1135409791 /nfs/dbraw/zinc/40/97/91/1135409791.db2.gz YBFQAYOWLCKNTQ-UKRRQHHQSA-N 1 2 329.362 3.955 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001195301126 1135409796 /nfs/dbraw/zinc/40/97/96/1135409796.db2.gz YBFQAYOWLCKNTQ-UKRRQHHQSA-N 1 2 329.362 3.955 20 0 EHADLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001203809047 1135430654 /nfs/dbraw/zinc/43/06/54/1135430654.db2.gz SELITXHHYAULSI-UHFFFAOYSA-N 1 2 345.270 3.950 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1)C1CCC1 ZINC001203810802 1135438227 /nfs/dbraw/zinc/43/82/27/1135438227.db2.gz BRTJNOUBEDUERW-MRXNPFEDSA-N 1 2 341.282 3.874 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1)C1CCC1 ZINC001203810802 1135438232 /nfs/dbraw/zinc/43/82/32/1135438232.db2.gz BRTJNOUBEDUERW-MRXNPFEDSA-N 1 2 341.282 3.874 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1 ZINC001195843211 1135480136 /nfs/dbraw/zinc/48/01/36/1135480136.db2.gz JROUHXJTPTULJO-LJQANCHMSA-N 1 2 331.435 3.961 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1 ZINC001195843211 1135480141 /nfs/dbraw/zinc/48/01/41/1135480141.db2.gz JROUHXJTPTULJO-LJQANCHMSA-N 1 2 331.435 3.961 20 0 EHADLO Cc1ccc(F)cc1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001195906822 1135489013 /nfs/dbraw/zinc/48/90/13/1135489013.db2.gz MVOGJGRVDVLRKN-MRXNPFEDSA-N 1 2 345.443 3.769 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=S)Nc3ccc(F)cc3C)n2c1 ZINC001196133739 1135519855 /nfs/dbraw/zinc/51/98/55/1135519855.db2.gz VTQZQGSKDTYHJJ-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000808162488 1135619701 /nfs/dbraw/zinc/61/97/01/1135619701.db2.gz LMWJQRIMMWNATB-HKUYNNGSSA-N 1 2 332.513 3.691 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000808162488 1135619702 /nfs/dbraw/zinc/61/97/02/1135619702.db2.gz LMWJQRIMMWNATB-HKUYNNGSSA-N 1 2 332.513 3.691 20 0 EHADLO O=C1N(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCN1c1ccccc1 ZINC000808142397 1135623456 /nfs/dbraw/zinc/62/34/56/1135623456.db2.gz QCQLWBPGWCHRNH-LJQANCHMSA-N 1 2 339.414 3.862 20 0 EHADLO O=C1N(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CCN1c1ccccc1 ZINC000808142397 1135623458 /nfs/dbraw/zinc/62/34/58/1135623458.db2.gz QCQLWBPGWCHRNH-LJQANCHMSA-N 1 2 339.414 3.862 20 0 EHADLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2cnsc2)c1 ZINC001131165517 1135626759 /nfs/dbraw/zinc/62/67/59/1135626759.db2.gz AQVVEXSTOKFRSG-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2cnsc2)c1 ZINC001131165517 1135626760 /nfs/dbraw/zinc/62/67/60/1135626760.db2.gz AQVVEXSTOKFRSG-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229025 1135633250 /nfs/dbraw/zinc/63/32/50/1135633250.db2.gz YYTVKEHRWOEGMS-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229025 1135633253 /nfs/dbraw/zinc/63/32/53/1135633253.db2.gz YYTVKEHRWOEGMS-INIZCTEOSA-N 1 2 343.500 3.575 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808231191 1135633765 /nfs/dbraw/zinc/63/37/65/1135633765.db2.gz ZQCPSWVXOKSIIB-HNNXBMFYSA-N 1 2 346.475 3.837 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808231191 1135633766 /nfs/dbraw/zinc/63/37/66/1135633766.db2.gz ZQCPSWVXOKSIIB-HNNXBMFYSA-N 1 2 346.475 3.837 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCC3CC=CC3)n2)C1 ZINC001196994277 1135638823 /nfs/dbraw/zinc/63/88/23/1135638823.db2.gz CDXCHZDYGUKEBJ-CQSZACIVSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCC3CC=CC3)n2)C1 ZINC001196994277 1135638826 /nfs/dbraw/zinc/63/88/26/1135638826.db2.gz CDXCHZDYGUKEBJ-CQSZACIVSA-N 1 2 348.516 3.853 20 0 EHADLO COC(OC)c1cc(C)c[nH+]c1NCc1c(Cl)cncc1Cl ZINC001158303075 1135654436 /nfs/dbraw/zinc/65/44/36/1135654436.db2.gz XEHDWBKBEXZCEN-UHFFFAOYSA-N 1 2 342.226 3.995 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(C)c1OC ZINC000808405012 1135664167 /nfs/dbraw/zinc/66/41/67/1135664167.db2.gz UZSLHLFHZMPFOS-CQSZACIVSA-N 1 2 335.350 3.514 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=S)Nc3ccc(Cl)cc3)n2c1 ZINC001197342261 1135681902 /nfs/dbraw/zinc/68/19/02/1135681902.db2.gz GSHIYQRRPZPQCR-UHFFFAOYSA-N 1 2 330.844 3.783 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001197385202 1135682553 /nfs/dbraw/zinc/68/25/53/1135682553.db2.gz QWUNQLZSLGRUOS-INIZCTEOSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001197385202 1135682556 /nfs/dbraw/zinc/68/25/56/1135682556.db2.gz QWUNQLZSLGRUOS-INIZCTEOSA-N 1 2 340.414 3.844 20 0 EHADLO Fc1cc(F)c(F)c(NC(=S)Nc2ccc3[nH+]ccn3c2)c1F ZINC001197372695 1135686934 /nfs/dbraw/zinc/68/69/34/1135686934.db2.gz OOKGSBXJOXTJKQ-UHFFFAOYSA-N 1 2 340.305 3.700 20 0 EHADLO Fc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1Cl ZINC001197450383 1135689408 /nfs/dbraw/zinc/68/94/08/1135689408.db2.gz QOWHXVIPRSDBOQ-MRXNPFEDSA-N 1 2 335.810 3.875 20 0 EHADLO Fc1ccc(OCC[N@H+]2CCCC[C@@H]2c2ncccn2)cc1Cl ZINC001197450383 1135689410 /nfs/dbraw/zinc/68/94/10/1135689410.db2.gz QOWHXVIPRSDBOQ-MRXNPFEDSA-N 1 2 335.810 3.875 20 0 EHADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000808746356 1135726253 /nfs/dbraw/zinc/72/62/53/1135726253.db2.gz OBZRGMKQJYSPST-MRXNPFEDSA-N 1 2 329.362 3.694 20 0 EHADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000808746356 1135726259 /nfs/dbraw/zinc/72/62/59/1135726259.db2.gz OBZRGMKQJYSPST-MRXNPFEDSA-N 1 2 329.362 3.694 20 0 EHADLO CCS[C@H](C)c1noc(CN2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001197710193 1135728751 /nfs/dbraw/zinc/72/87/51/1135728751.db2.gz FOQPKCKEWPLXDA-OLZOCXBDSA-N 1 2 335.477 3.561 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2SC(F)(F)F)c(C)c[nH+]1 ZINC000747526018 1135731627 /nfs/dbraw/zinc/73/16/27/1135731627.db2.gz NRSWXXZLIGWJPF-UHFFFAOYSA-N 1 2 326.343 3.985 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529801 1135740988 /nfs/dbraw/zinc/74/09/88/1135740988.db2.gz BEZWQOHJMKIWBN-UGSOOPFHSA-N 1 2 340.423 3.712 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc(O)cc2)C2CC2)o1 ZINC000747529801 1135740993 /nfs/dbraw/zinc/74/09/93/1135740993.db2.gz BEZWQOHJMKIWBN-UGSOOPFHSA-N 1 2 340.423 3.712 20 0 EHADLO C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081402512 1135751244 /nfs/dbraw/zinc/75/12/44/1135751244.db2.gz QBLKQPBFKBRUIK-AWEZNQCLSA-N 1 2 325.437 3.637 20 0 EHADLO CCOC(=O)c1cc2n(n1)C[C@H](C)[N@H+](Cc1cccc3ccccc31)C2 ZINC001197911997 1135754750 /nfs/dbraw/zinc/75/47/50/1135754750.db2.gz SNOUNXONLNGUNL-HNNXBMFYSA-N 1 2 349.434 3.617 20 0 EHADLO CCOC(=O)c1cc2n(n1)C[C@H](C)[N@@H+](Cc1cccc3ccccc31)C2 ZINC001197911997 1135754752 /nfs/dbraw/zinc/75/47/52/1135754752.db2.gz SNOUNXONLNGUNL-HNNXBMFYSA-N 1 2 349.434 3.617 20 0 EHADLO Cc1c[nH]nc1C[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001198406635 1135811239 /nfs/dbraw/zinc/81/12/39/1135811239.db2.gz JYTOEMNCIWMVLK-UHFFFAOYSA-N 1 2 342.443 3.623 20 0 EHADLO Cc1c[nH]nc1C[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001198406635 1135811245 /nfs/dbraw/zinc/81/12/45/1135811245.db2.gz JYTOEMNCIWMVLK-UHFFFAOYSA-N 1 2 342.443 3.623 20 0 EHADLO CC[C@H](C)CC[C@@H](O)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809404814 1135837362 /nfs/dbraw/zinc/83/73/62/1135837362.db2.gz TZWSVWWCZXJHEB-WMLDXEAASA-N 1 2 340.427 3.652 20 0 EHADLO Cc1cccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC001198716377 1135852065 /nfs/dbraw/zinc/85/20/65/1135852065.db2.gz NOUQKHXDXXPRFB-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)CCO1 ZINC001198761623 1135854663 /nfs/dbraw/zinc/85/46/63/1135854663.db2.gz OCPCXTNSDQISDU-GHMZBOCLSA-N 1 2 328.243 3.640 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)CCO1 ZINC001198761623 1135854667 /nfs/dbraw/zinc/85/46/67/1135854667.db2.gz OCPCXTNSDQISDU-GHMZBOCLSA-N 1 2 328.243 3.640 20 0 EHADLO CSC1(C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000809557951 1135856155 /nfs/dbraw/zinc/85/61/55/1135856155.db2.gz WQHOVZKMIJUZGK-CQSZACIVSA-N 1 2 342.302 3.718 20 0 EHADLO CSC1(C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000809557951 1135856158 /nfs/dbraw/zinc/85/61/58/1135856158.db2.gz WQHOVZKMIJUZGK-CQSZACIVSA-N 1 2 342.302 3.718 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809594439 1135859013 /nfs/dbraw/zinc/85/90/13/1135859013.db2.gz VZHLPXIXCXFSKX-ZDUSSCGKSA-N 1 2 342.270 3.888 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809594439 1135859017 /nfs/dbraw/zinc/85/90/17/1135859017.db2.gz VZHLPXIXCXFSKX-ZDUSSCGKSA-N 1 2 342.270 3.888 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000809649960 1135865181 /nfs/dbraw/zinc/86/51/81/1135865181.db2.gz JEAXYFGXRRXHQX-UHFFFAOYSA-N 1 2 348.878 3.619 20 0 EHADLO COc1nc(Cl)c(C[NH2+]Cc2ccc(Cl)cc2Cl)n1C ZINC001198980449 1135871301 /nfs/dbraw/zinc/87/13/01/1135871301.db2.gz FZZHFMCOESFIPE-UHFFFAOYSA-N 1 2 334.634 3.679 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000809711551 1135875692 /nfs/dbraw/zinc/87/56/92/1135875692.db2.gz YMQCZBZTCSTDDI-MRXNPFEDSA-N 1 2 328.412 3.604 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000809711551 1135875696 /nfs/dbraw/zinc/87/56/96/1135875696.db2.gz YMQCZBZTCSTDDI-MRXNPFEDSA-N 1 2 328.412 3.604 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]Cc2cscc2Br)o1 ZINC000809742896 1135883955 /nfs/dbraw/zinc/88/39/55/1135883955.db2.gz HLCQBHKXSWZYTQ-UHFFFAOYSA-N 1 2 344.230 3.570 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C2CCC2)nc1 ZINC001199289241 1135892832 /nfs/dbraw/zinc/89/28/32/1135892832.db2.gz WHGKSYVQSMXPBT-UHFFFAOYSA-N 1 2 346.434 3.807 20 0 EHADLO CC[C@H](C)NC(=O)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC001199309543 1135894700 /nfs/dbraw/zinc/89/47/00/1135894700.db2.gz JXZXZSSKYKEWBT-AWEZNQCLSA-N 1 2 343.471 3.790 20 0 EHADLO COc1cc2c(c(CNc3ccc(-n4cc[nH+]c4)cc3)c1)O[C@@H](C)C2 ZINC001199530978 1135910888 /nfs/dbraw/zinc/91/08/88/1135910888.db2.gz MCZPIORKGXFMAO-AWEZNQCLSA-N 1 2 335.407 3.816 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccon2)C(C)C)c(Br)c1 ZINC000810220867 1135939471 /nfs/dbraw/zinc/93/94/71/1135939471.db2.gz GARRQCAVWVXUKE-OAHLLOKOSA-N 1 2 339.233 3.933 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2cc[nH]c21 ZINC000776063667 1135946861 /nfs/dbraw/zinc/94/68/61/1135946861.db2.gz JRGSIKXFEADJGP-UHFFFAOYSA-N 1 2 331.379 3.675 20 0 EHADLO C[C@H]([NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374693 1135960520 /nfs/dbraw/zinc/96/05/20/1135960520.db2.gz CHTXAZTWRRHKGA-JSGCOSHPSA-N 1 2 346.368 3.667 20 0 EHADLO C[C@H]([NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374693 1135960522 /nfs/dbraw/zinc/96/05/22/1135960522.db2.gz CHTXAZTWRRHKGA-JSGCOSHPSA-N 1 2 346.368 3.667 20 0 EHADLO Nc1ccc(Nc2cccc(Br)c2Br)c[nH+]1 ZINC001201295839 1136003397 /nfs/dbraw/zinc/00/33/97/1136003397.db2.gz TXGMUVIUQQORMZ-UHFFFAOYSA-N 1 2 343.022 3.932 20 0 EHADLO CCOc1cc2c(cc1NCc1c[nH+]c3ccc(C)cn13)O[C@@H](C)C2 ZINC001201077408 1135985332 /nfs/dbraw/zinc/98/53/32/1135985332.db2.gz GBYBTEKGLGJDSU-AWEZNQCLSA-N 1 2 337.423 3.977 20 0 EHADLO Cc1cnn(Cc2cccc(C(F)(F)F)c2)c1Nc1ccc(N)[nH+]c1 ZINC001201278894 1136003435 /nfs/dbraw/zinc/00/34/35/1136003435.db2.gz JBEAERWCCNLZBZ-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC001201317804 1136006886 /nfs/dbraw/zinc/00/68/86/1136006886.db2.gz HDLIXZLQDUSCIN-UHFFFAOYSA-N 1 2 330.391 3.626 20 0 EHADLO COc1ccc2c(c1)C[C@H]([NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)CC2 ZINC001201372664 1136009704 /nfs/dbraw/zinc/00/97/04/1136009704.db2.gz LHFMLXIHXCHVMC-IEBWSBKVSA-N 1 2 347.499 3.899 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCCCC(C)C)C2)cc1 ZINC001132601206 1136040195 /nfs/dbraw/zinc/04/01/95/1136040195.db2.gz RAELVGSOXPRFHJ-FQEVSTJZSA-N 1 2 346.515 3.528 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCCCC(C)C)C2)cc1 ZINC001132601206 1136040201 /nfs/dbraw/zinc/04/02/01/1136040201.db2.gz RAELVGSOXPRFHJ-FQEVSTJZSA-N 1 2 346.515 3.528 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCCC(C)C)C2)cc1 ZINC001132601207 1136040353 /nfs/dbraw/zinc/04/03/53/1136040353.db2.gz RAELVGSOXPRFHJ-HXUWFJFHSA-N 1 2 346.515 3.528 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCCCC(C)C)C2)cc1 ZINC001132601207 1136040357 /nfs/dbraw/zinc/04/03/57/1136040357.db2.gz RAELVGSOXPRFHJ-HXUWFJFHSA-N 1 2 346.515 3.528 20 0 EHADLO CCn1cnc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)c1 ZINC001201749858 1136058513 /nfs/dbraw/zinc/05/85/13/1136058513.db2.gz BERPNYXCNNEJFE-NSHDSACASA-N 1 2 338.249 3.525 20 0 EHADLO Cc1ccc(F)cc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327446 1136074620 /nfs/dbraw/zinc/07/46/20/1136074620.db2.gz VNHVDCGTPBMSHX-UHFFFAOYSA-N 1 2 338.382 3.665 20 0 EHADLO S=C(Nc1ccccc1-c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000811711949 1136123905 /nfs/dbraw/zinc/12/39/05/1136123905.db2.gz BTGGFKGSUIKITQ-UHFFFAOYSA-N 1 2 334.448 3.763 20 0 EHADLO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811752869 1136135879 /nfs/dbraw/zinc/13/58/79/1136135879.db2.gz JLEAMZNSAPDCMI-HNNXBMFYSA-N 1 2 327.472 3.853 20 0 EHADLO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811752869 1136135882 /nfs/dbraw/zinc/13/58/82/1136135882.db2.gz JLEAMZNSAPDCMI-HNNXBMFYSA-N 1 2 327.472 3.853 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000811760941 1136137234 /nfs/dbraw/zinc/13/72/34/1136137234.db2.gz GGPITDSRTNKGJD-UHFFFAOYSA-N 1 2 338.377 3.518 20 0 EHADLO FC(F)(F)CCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001202444512 1136145063 /nfs/dbraw/zinc/14/50/63/1136145063.db2.gz HXPJHHJTUWLEIP-UHFFFAOYSA-N 1 2 338.167 3.986 20 0 EHADLO FC(F)(F)CCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001202444512 1136145066 /nfs/dbraw/zinc/14/50/66/1136145066.db2.gz HXPJHHJTUWLEIP-UHFFFAOYSA-N 1 2 338.167 3.986 20 0 EHADLO Cc1cccc(OCCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001133032331 1136145830 /nfs/dbraw/zinc/14/58/30/1136145830.db2.gz CCADLYKLIYTKIQ-HXUWFJFHSA-N 1 2 349.434 3.518 20 0 EHADLO Cc1cccc(OCCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001133032330 1136145861 /nfs/dbraw/zinc/14/58/61/1136145861.db2.gz CCADLYKLIYTKIQ-FQEVSTJZSA-N 1 2 349.434 3.518 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)sc3C)CC2)cc1 ZINC001133116324 1136168036 /nfs/dbraw/zinc/16/80/36/1136168036.db2.gz NBGOTZLZDSZXGE-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO C[C@@H]1C[N@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290811 1136192258 /nfs/dbraw/zinc/19/22/58/1136192258.db2.gz JTBOGGDMOZKAAL-TZMCWYRMSA-N 1 2 342.817 3.591 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290811 1136192260 /nfs/dbraw/zinc/19/22/60/1136192260.db2.gz JTBOGGDMOZKAAL-TZMCWYRMSA-N 1 2 342.817 3.591 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673788 1136195137 /nfs/dbraw/zinc/19/51/37/1136195137.db2.gz OCWUSDWHAMFEQX-ZDUSSCGKSA-N 1 2 325.399 3.532 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000747784271 1136196434 /nfs/dbraw/zinc/19/64/34/1136196434.db2.gz XUECYVKFUFCIFA-UHFFFAOYSA-N 1 2 333.347 3.585 20 0 EHADLO Cn1c[nH+]cc1COC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000747784300 1136196443 /nfs/dbraw/zinc/19/64/43/1136196443.db2.gz YEJZFLBHLNQLEB-UHFFFAOYSA-N 1 2 332.831 3.920 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000850208826 1136220971 /nfs/dbraw/zinc/22/09/71/1136220971.db2.gz DLHQWTUCIBODHL-HXUWFJFHSA-N 1 2 338.451 3.849 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000850208826 1136220974 /nfs/dbraw/zinc/22/09/74/1136220974.db2.gz DLHQWTUCIBODHL-HXUWFJFHSA-N 1 2 338.451 3.849 20 0 EHADLO Cc1[nH+]cc(CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)n1C ZINC000850275698 1136229833 /nfs/dbraw/zinc/22/98/33/1136229833.db2.gz PTEDHIPDCAEFBO-CYBMUJFWSA-N 1 2 326.227 3.649 20 0 EHADLO COc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)ccc1OCCC(C)C ZINC000850352460 1136239693 /nfs/dbraw/zinc/23/96/93/1136239693.db2.gz XEGRJTAOBWRNHZ-GOEBONIOSA-N 1 2 344.459 3.507 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCO2 ZINC000850454015 1136262014 /nfs/dbraw/zinc/26/20/14/1136262014.db2.gz FCHSIOILMRFZMR-AWEZNQCLSA-N 1 2 334.423 3.648 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000850457903 1136262831 /nfs/dbraw/zinc/26/28/31/1136262831.db2.gz PQYDMRFKZPSZCY-JKSUJKDBSA-N 1 2 348.487 3.692 20 0 EHADLO CCOC(=O)NC1CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000850457833 1136263237 /nfs/dbraw/zinc/26/32/37/1136263237.db2.gz PDKAKDXIUGIKSN-UHFFFAOYSA-N 1 2 346.475 3.541 20 0 EHADLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000850562469 1136286303 /nfs/dbraw/zinc/28/63/03/1136286303.db2.gz VMEPOHFVDOIMIR-RDBSUJKOSA-N 1 2 333.444 3.887 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C2CCC3(CC3)CC2)[nH+]1 ZINC000850839882 1136310503 /nfs/dbraw/zinc/31/05/03/1136310503.db2.gz BEXKYEZGTAIIAQ-UHFFFAOYSA-N 1 2 331.456 3.853 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000850900266 1136316218 /nfs/dbraw/zinc/31/62/18/1136316218.db2.gz UTCQJUWWAVVGLD-CHWSQXEVSA-N 1 2 326.318 3.746 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000851157401 1136344539 /nfs/dbraw/zinc/34/45/39/1136344539.db2.gz OZTYYSJXDPPYKL-OLZOCXBDSA-N 1 2 344.377 3.674 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000173205506 1136384689 /nfs/dbraw/zinc/38/46/89/1136384689.db2.gz CIEBQJHRUAGBJJ-KGLIPLIRSA-N 1 2 325.416 3.791 20 0 EHADLO Cc1cc(C(=O)OCc2cccc3[nH+]ccn32)nn1C1CCCCC1 ZINC000776533579 1136397883 /nfs/dbraw/zinc/39/78/83/1136397883.db2.gz HBRAYQJLHKCVNY-UHFFFAOYSA-N 1 2 338.411 3.701 20 0 EHADLO CCc1oc(C[NH2+]Cc2nc(C(C)C)c(C)s2)cc1C(=O)OC ZINC000338941098 1136406396 /nfs/dbraw/zinc/40/63/96/1136406396.db2.gz BJHPPQDGVOMNER-UHFFFAOYSA-N 1 2 336.457 3.807 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000852044618 1136428833 /nfs/dbraw/zinc/42/88/33/1136428833.db2.gz FEFITUUADCRGKW-RHSMWYFYSA-N 1 2 349.475 3.514 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000852044618 1136428838 /nfs/dbraw/zinc/42/88/38/1136428838.db2.gz FEFITUUADCRGKW-RHSMWYFYSA-N 1 2 349.475 3.514 20 0 EHADLO CCc1oc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1C(=O)OC ZINC000338941584 1136429557 /nfs/dbraw/zinc/42/95/57/1136429557.db2.gz BTAVIRZJACDDJB-OAHLLOKOSA-N 1 2 334.441 3.634 20 0 EHADLO COc1ccc(CN2CCn3c[nH+]cc3C2)cc1SC(F)(F)F ZINC000852060674 1136430431 /nfs/dbraw/zinc/43/04/31/1136430431.db2.gz HSNUGCWUEOLFBD-UHFFFAOYSA-N 1 2 343.374 3.519 20 0 EHADLO CCc1oc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1C(=O)OC ZINC000338942379 1136437832 /nfs/dbraw/zinc/43/78/32/1136437832.db2.gz QQRYJRNJQXUDEH-LLVKDONJSA-N 1 2 335.375 3.627 20 0 EHADLO CCc1oc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1C(=O)OC ZINC000338943448 1136445533 /nfs/dbraw/zinc/44/55/33/1136445533.db2.gz LOHMZERXISVQMT-UHFFFAOYSA-N 1 2 336.457 3.727 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2cccnc2Cl)CCc2ccccc21 ZINC000852347725 1136451278 /nfs/dbraw/zinc/45/12/78/1136451278.db2.gz BAWGXUKBWDJWTR-UHFFFAOYSA-N 1 2 343.858 3.509 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2cccnc2Cl)CCc2ccccc21 ZINC000852347725 1136451279 /nfs/dbraw/zinc/45/12/79/1136451279.db2.gz BAWGXUKBWDJWTR-UHFFFAOYSA-N 1 2 343.858 3.509 20 0 EHADLO COCC[N@H+](CCF)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000852481890 1136459603 /nfs/dbraw/zinc/45/96/03/1136459603.db2.gz SOBXOKHHISDYFC-UHFFFAOYSA-N 1 2 337.826 3.523 20 0 EHADLO COCC[N@@H+](CCF)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000852481890 1136459604 /nfs/dbraw/zinc/45/96/04/1136459604.db2.gz SOBXOKHHISDYFC-UHFFFAOYSA-N 1 2 337.826 3.523 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCCO2 ZINC000852780651 1136485962 /nfs/dbraw/zinc/48/59/62/1136485962.db2.gz ASEUGZKKXVKAPD-AWEZNQCLSA-N 1 2 335.407 3.912 20 0 EHADLO CCOC(=O)n1nc2c(c1Nc1cc(C)ccc1C)C[NH2+]C2(C)C ZINC001170759521 1136493320 /nfs/dbraw/zinc/49/33/20/1136493320.db2.gz DXPFJMUCDQHDGA-UHFFFAOYSA-N 1 2 328.416 3.586 20 0 EHADLO CSc1cc(C)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)o1 ZINC000853106939 1136509605 /nfs/dbraw/zinc/50/96/05/1136509605.db2.gz LTTWZXPEBAFGBI-UHFFFAOYSA-N 1 2 349.452 3.820 20 0 EHADLO Clc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)o2)c1 ZINC000111110118 1136511718 /nfs/dbraw/zinc/51/17/18/1136511718.db2.gz USNITLVPCIGNPZ-OAHLLOKOSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3C3OCCO3)o2)c1 ZINC000111110118 1136511720 /nfs/dbraw/zinc/51/17/20/1136511720.db2.gz USNITLVPCIGNPZ-OAHLLOKOSA-N 1 2 348.830 3.722 20 0 EHADLO CCOC(=O)N1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000814834487 1136513634 /nfs/dbraw/zinc/51/36/34/1136513634.db2.gz IELZLPYOHZITQC-UHFFFAOYSA-N 1 2 333.819 3.557 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCCC3(CCCCC3)C2)c1=S ZINC000111173691 1136518965 /nfs/dbraw/zinc/51/89/65/1136518965.db2.gz ZFPAMDHDRGYBKX-UHFFFAOYSA-N 1 2 348.438 3.980 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCCC3(CCCCC3)C2)c1=S ZINC000111173691 1136518967 /nfs/dbraw/zinc/51/89/67/1136518967.db2.gz ZFPAMDHDRGYBKX-UHFFFAOYSA-N 1 2 348.438 3.980 20 0 EHADLO CC1(O)CCN(c2cc(NCc3ccc4ccccc4c3)[nH+]cn2)CC1 ZINC000853233521 1136520439 /nfs/dbraw/zinc/52/04/39/1136520439.db2.gz GUZWJNPODTZHOS-UHFFFAOYSA-N 1 2 348.450 3.593 20 0 EHADLO CC1(O)CCN(c2cc(NCc3ccc4ccccc4c3)nc[nH+]2)CC1 ZINC000853233521 1136520443 /nfs/dbraw/zinc/52/04/43/1136520443.db2.gz GUZWJNPODTZHOS-UHFFFAOYSA-N 1 2 348.450 3.593 20 0 EHADLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)no1 ZINC000815019503 1136538295 /nfs/dbraw/zinc/53/82/95/1136538295.db2.gz NZSLZSBZHFZZKE-MOPGFXCFSA-N 1 2 337.423 3.792 20 0 EHADLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)no1 ZINC000815019503 1136538297 /nfs/dbraw/zinc/53/82/97/1136538297.db2.gz NZSLZSBZHFZZKE-MOPGFXCFSA-N 1 2 337.423 3.792 20 0 EHADLO Cc1cnc(=S)n(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 ZINC000853530937 1136541589 /nfs/dbraw/zinc/54/15/89/1136541589.db2.gz UOAQICKXRRUNMM-QGZVFWFLSA-N 1 2 343.496 3.948 20 0 EHADLO Cc1cnc(=S)n(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 ZINC000853530937 1136541591 /nfs/dbraw/zinc/54/15/91/1136541591.db2.gz UOAQICKXRRUNMM-QGZVFWFLSA-N 1 2 343.496 3.948 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1F ZINC000853563371 1136544593 /nfs/dbraw/zinc/54/45/93/1136544593.db2.gz SZLAFPYIVJBXIT-FUHWJXTLSA-N 1 2 346.446 3.576 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1F ZINC000853563371 1136544596 /nfs/dbraw/zinc/54/45/96/1136544596.db2.gz SZLAFPYIVJBXIT-FUHWJXTLSA-N 1 2 346.446 3.576 20 0 EHADLO CC(C)c1nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c(=S)n1C ZINC000853611126 1136549523 /nfs/dbraw/zinc/54/95/23/1136549523.db2.gz WQRCQXSRWUZBGY-OAHLLOKOSA-N 1 2 330.501 3.694 20 0 EHADLO CC(C)c1nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c(=S)n1C ZINC000853611126 1136549526 /nfs/dbraw/zinc/54/95/26/1136549526.db2.gz WQRCQXSRWUZBGY-OAHLLOKOSA-N 1 2 330.501 3.694 20 0 EHADLO Cn1ncc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl ZINC000815133735 1136559972 /nfs/dbraw/zinc/55/99/72/1136559972.db2.gz UMDABIYITVVFIQ-GFCCVEGCSA-N 1 2 335.732 3.996 20 0 EHADLO Cc1ccc2nc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000815133465 1136560066 /nfs/dbraw/zinc/56/00/66/1136560066.db2.gz ZZMVCPFQRLBWGY-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO CC[C@H](CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)Oc1ccccc1C ZINC001137050875 1136577667 /nfs/dbraw/zinc/57/76/67/1136577667.db2.gz WDHJGJMCSIYBDZ-MSOLQXFVSA-N 1 2 343.471 3.753 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c[nH]nc1C(C)(C)C ZINC000815322201 1136582910 /nfs/dbraw/zinc/58/29/10/1136582910.db2.gz HDIFYAGKORLQTR-UHFFFAOYSA-N 1 2 338.411 3.558 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3CC(C)(C)C3)n2)O1 ZINC000854109064 1136588120 /nfs/dbraw/zinc/58/81/20/1136588120.db2.gz PZWJLNULNWBWSS-PBHICJAKSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3CC(C)(C)C3)n2)O1 ZINC000854109064 1136588121 /nfs/dbraw/zinc/58/81/21/1136588121.db2.gz PZWJLNULNWBWSS-PBHICJAKSA-N 1 2 341.455 3.935 20 0 EHADLO CSc1ccc(-c2noc([C@@H]([NH3+])COC(C)C)n2)c(Cl)c1 ZINC000854142461 1136591829 /nfs/dbraw/zinc/59/18/29/1136591829.db2.gz NTRIVNRJUYFNLJ-LBPRGKRZSA-N 1 2 327.837 3.537 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173261282 1136629538 /nfs/dbraw/zinc/62/95/38/1136629538.db2.gz ZFEUBQJHZWZHEQ-INIZCTEOSA-N 1 2 341.455 3.901 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000173261282 1136629541 /nfs/dbraw/zinc/62/95/41/1136629541.db2.gz ZFEUBQJHZWZHEQ-INIZCTEOSA-N 1 2 341.455 3.901 20 0 EHADLO Cn1cc(-c2ccc(C[N@@H+]3CCOc4cccc(F)c4C3)s2)cn1 ZINC000338964074 1136644663 /nfs/dbraw/zinc/64/46/63/1136644663.db2.gz RUTGOUCJIPCYDM-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO Cn1cc(-c2ccc(C[N@H+]3CCOc4cccc(F)c4C3)s2)cn1 ZINC000338964074 1136644667 /nfs/dbraw/zinc/64/46/67/1136644667.db2.gz RUTGOUCJIPCYDM-UHFFFAOYSA-N 1 2 343.427 3.682 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000855025162 1136661649 /nfs/dbraw/zinc/66/16/49/1136661649.db2.gz SQXRJOCDYYFUDZ-QZTJIDSGSA-N 1 2 340.471 3.789 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CC[C@](F)(c4cccc(Cl)c4)C3)cc12 ZINC000338967270 1136672019 /nfs/dbraw/zinc/67/20/19/1136672019.db2.gz DXCSPOBYKVPYJP-GOSISDBHSA-N 1 2 344.821 3.990 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CC[C@](F)(c4cccc(Cl)c4)C3)cc12 ZINC000338967270 1136672022 /nfs/dbraw/zinc/67/20/22/1136672022.db2.gz DXCSPOBYKVPYJP-GOSISDBHSA-N 1 2 344.821 3.990 20 0 EHADLO C[C@@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000805615727 1136704110 /nfs/dbraw/zinc/70/41/10/1136704110.db2.gz HLFAZOUZAXYHBV-LFPRZYRFSA-N 1 2 347.499 3.578 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@H]1CCCC1(F)F ZINC000816397829 1136709837 /nfs/dbraw/zinc/70/98/37/1136709837.db2.gz RMXIBAVOUOHIGS-SNVBAGLBSA-N 1 2 344.308 3.602 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000816609413 1136740761 /nfs/dbraw/zinc/74/07/61/1136740761.db2.gz BBTGTGVOUCHARN-AWEZNQCLSA-N 1 2 340.851 3.536 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609413 1136740763 /nfs/dbraw/zinc/74/07/63/1136740763.db2.gz BBTGTGVOUCHARN-AWEZNQCLSA-N 1 2 340.851 3.536 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000816636800 1136743213 /nfs/dbraw/zinc/74/32/13/1136743213.db2.gz IKSVUZXGDSWVRT-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000816636800 1136743215 /nfs/dbraw/zinc/74/32/15/1136743215.db2.gz IKSVUZXGDSWVRT-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc(Br)c1OC ZINC000816646864 1136744967 /nfs/dbraw/zinc/74/49/67/1136744967.db2.gz JVICWZCDGWELJX-QWRGUYRKSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)cc(Br)c1OC ZINC000816646864 1136744969 /nfs/dbraw/zinc/74/49/69/1136744969.db2.gz JVICWZCDGWELJX-QWRGUYRKSA-N 1 2 328.250 3.697 20 0 EHADLO O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000816823224 1136758203 /nfs/dbraw/zinc/75/82/03/1136758203.db2.gz MVCONYWMTQTBRS-ZDUSSCGKSA-N 1 2 345.493 3.563 20 0 EHADLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccn1C(C)C ZINC000338990660 1136768744 /nfs/dbraw/zinc/76/87/44/1136768744.db2.gz XMUHYQLGNSILLG-UHFFFAOYSA-N 1 2 340.471 3.693 20 0 EHADLO CC[C@@H](O)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817378532 1136801553 /nfs/dbraw/zinc/80/15/53/1136801553.db2.gz KJWPDEKLQSTVHQ-OAQYLSRUSA-N 1 2 341.451 3.541 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000856723732 1136803440 /nfs/dbraw/zinc/80/34/40/1136803440.db2.gz FIDICIMZNFFGSP-OAHLLOKOSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000856723732 1136803444 /nfs/dbraw/zinc/80/34/44/1136803444.db2.gz FIDICIMZNFFGSP-OAHLLOKOSA-N 1 2 339.867 3.566 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2Cl)cn1 ZINC000856780511 1136810783 /nfs/dbraw/zinc/81/07/83/1136810783.db2.gz IOGQASXWIDYFDV-SECBINFHSA-N 1 2 330.741 3.703 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815418 1136814906 /nfs/dbraw/zinc/81/49/06/1136814906.db2.gz GJLFFXUZUQDDSC-LIRRHRJNSA-N 1 2 349.475 3.677 20 0 EHADLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)o1 ZINC000856815418 1136814909 /nfs/dbraw/zinc/81/49/09/1136814909.db2.gz GJLFFXUZUQDDSC-LIRRHRJNSA-N 1 2 349.475 3.677 20 0 EHADLO COc1ccc([C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)C)cc1 ZINC001135978039 1136832685 /nfs/dbraw/zinc/83/26/85/1136832685.db2.gz GLBXXYYLXLPLCP-RTBURBONSA-N 1 2 343.471 3.992 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(/C)c2cccs2)c1C ZINC000857086166 1136843209 /nfs/dbraw/zinc/84/32/09/1136843209.db2.gz MAUKTBSSODBMKI-XFXZXTDPSA-N 1 2 330.453 3.830 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000857192403 1136852154 /nfs/dbraw/zinc/85/21/54/1136852154.db2.gz AUHPDSANAYQCAO-LBPRGKRZSA-N 1 2 337.345 3.517 20 0 EHADLO Cc1cc(F)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000818180852 1136863291 /nfs/dbraw/zinc/86/32/91/1136863291.db2.gz MSMAOQYWJFBZPK-UHFFFAOYSA-N 1 2 332.394 3.846 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000818195761 1136865321 /nfs/dbraw/zinc/86/53/21/1136865321.db2.gz KJSAPIXBPNEWIQ-RTBURBONSA-N 1 2 329.444 3.758 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000818217566 1136866390 /nfs/dbraw/zinc/86/63/90/1136866390.db2.gz PSUWBXPBRGZDTA-UHFFFAOYSA-N 1 2 343.320 3.824 20 0 EHADLO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000776938058 1136876829 /nfs/dbraw/zinc/87/68/29/1136876829.db2.gz ZHRMSDCKVKUBAM-GBESFXJTSA-N 1 2 347.499 3.733 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776970620 1136907465 /nfs/dbraw/zinc/90/74/65/1136907465.db2.gz OIBHFYZLIKGKHQ-PXNSSMCTSA-N 1 2 349.434 3.540 20 0 EHADLO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776969777 1136907560 /nfs/dbraw/zinc/90/75/60/1136907560.db2.gz AULZBVZNUXQMMF-SFHVURJKSA-N 1 2 339.414 3.813 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857986464 1136927181 /nfs/dbraw/zinc/92/71/81/1136927181.db2.gz VQQIZIFPMKDVGP-KRWDZBQOSA-N 1 2 325.456 3.765 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000857983512 1136927540 /nfs/dbraw/zinc/92/75/40/1136927540.db2.gz BCSWPVVFBUHOMZ-MRXNPFEDSA-N 1 2 343.858 3.901 20 0 EHADLO O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[C@@H]1c1ccccc1 ZINC001136233961 1136948417 /nfs/dbraw/zinc/94/84/17/1136948417.db2.gz NLOFPAYFIUIEED-HXUWFJFHSA-N 1 2 346.434 3.582 20 0 EHADLO O=C(/C=C\[C@@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000819515207 1136949680 /nfs/dbraw/zinc/94/96/80/1136949680.db2.gz VYHCCHPYXIXBHZ-LPADLIQXSA-N 1 2 337.423 3.560 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1ccns1 ZINC000858316387 1136958231 /nfs/dbraw/zinc/95/82/31/1136958231.db2.gz AVKKWRKSRHFMRV-GFCCVEGCSA-N 1 2 332.860 3.892 20 0 EHADLO FC1(F)CC[NH+](C2CN([C@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC001170935997 1136958762 /nfs/dbraw/zinc/95/87/62/1136958762.db2.gz XBUSEHYKJDMGMB-AWEZNQCLSA-N 1 2 340.845 3.613 20 0 EHADLO Cc1cccc([C@@H](CNc2nc(Cl)cs2)[NH+]2CCOCC2)c1 ZINC000858349468 1136960259 /nfs/dbraw/zinc/96/02/59/1136960259.db2.gz XZGIFPFBDZCJFH-CQSZACIVSA-N 1 2 337.876 3.590 20 0 EHADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1c1[nH+]ccc2ccccc21 ZINC000858545709 1136977788 /nfs/dbraw/zinc/97/77/88/1136977788.db2.gz IILYRBVXLQOLDM-BBRMVZONSA-N 1 2 327.428 3.727 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc21 ZINC000012634103 1137000575 /nfs/dbraw/zinc/00/05/75/1137000575.db2.gz TXARLPNMGYRMFZ-UHFFFAOYSA-N 1 2 348.450 3.838 20 0 aggregator EHADLO Cc1ccc(Br)c(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000777084364 1137002406 /nfs/dbraw/zinc/00/24/06/1137002406.db2.gz WRULYMBAFFLWAA-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO COc1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1SC(F)(F)F ZINC000859308798 1137011152 /nfs/dbraw/zinc/01/11/52/1137011152.db2.gz SRPQHFCCBPCYIB-UHFFFAOYSA-N 1 2 343.374 3.589 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)c2)[nH+]c1C ZINC001136399195 1137012704 /nfs/dbraw/zinc/01/27/04/1137012704.db2.gz NBDAMPXRIFQZDH-PIGZYNQJSA-N 1 2 325.412 3.637 20 0 EHADLO CCCn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000859654055 1137024614 /nfs/dbraw/zinc/02/46/14/1137024614.db2.gz HNWYCAMAVYOVNG-QGZVFWFLSA-N 1 2 346.862 3.550 20 0 EHADLO CCCn1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000859654055 1137024616 /nfs/dbraw/zinc/02/46/16/1137024616.db2.gz HNWYCAMAVYOVNG-QGZVFWFLSA-N 1 2 346.862 3.550 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1ccc3nonc3c1)[C@@H]2c1ccccc1 ZINC000821392204 1137025230 /nfs/dbraw/zinc/02/52/30/1137025230.db2.gz VXUQCYIGWYFYOR-HXUWFJFHSA-N 1 2 330.391 3.630 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1ccc3nonc3c1)[C@@H]2c1ccccc1 ZINC000821392204 1137025232 /nfs/dbraw/zinc/02/52/32/1137025232.db2.gz VXUQCYIGWYFYOR-HXUWFJFHSA-N 1 2 330.391 3.630 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 ZINC000859680219 1137025694 /nfs/dbraw/zinc/02/56/94/1137025694.db2.gz INJSTBDAXPZAKW-UHFFFAOYSA-N 1 2 342.474 3.781 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 ZINC000859680219 1137025696 /nfs/dbraw/zinc/02/56/96/1137025696.db2.gz INJSTBDAXPZAKW-UHFFFAOYSA-N 1 2 342.474 3.781 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1Br ZINC000429546257 1137029204 /nfs/dbraw/zinc/02/92/04/1137029204.db2.gz BQQSGXJQYBUCAQ-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1Br ZINC000429546257 1137029206 /nfs/dbraw/zinc/02/92/06/1137029206.db2.gz BQQSGXJQYBUCAQ-UHFFFAOYSA-N 1 2 348.288 3.922 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000859951216 1137038350 /nfs/dbraw/zinc/03/83/50/1137038350.db2.gz KRDNLGWITQSHIR-XQQFMLRXSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000859951216 1137038352 /nfs/dbraw/zinc/03/83/52/1137038352.db2.gz KRDNLGWITQSHIR-XQQFMLRXSA-N 1 2 343.254 3.552 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCOc4cc(F)ccc4C3)cc(=O)oc2c1 ZINC000860171978 1137047904 /nfs/dbraw/zinc/04/79/04/1137047904.db2.gz IKPQGGFFMYSUPL-UHFFFAOYSA-N 1 2 339.366 3.635 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCOc4cc(F)ccc4C3)cc(=O)oc2c1 ZINC000860171978 1137047905 /nfs/dbraw/zinc/04/79/05/1137047905.db2.gz IKPQGGFFMYSUPL-UHFFFAOYSA-N 1 2 339.366 3.635 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136622844 1137072249 /nfs/dbraw/zinc/07/22/49/1137072249.db2.gz UAWJGPMUZPHHDU-WMLDXEAASA-N 1 2 327.428 3.667 20 0 EHADLO CCOCc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1 ZINC000822740888 1137072608 /nfs/dbraw/zinc/07/26/08/1137072608.db2.gz UEFKHKZINHYHGX-GOSISDBHSA-N 1 2 335.407 3.660 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Sc2ccccn2)ccc1-n1cc[nH+]c1 ZINC001136624658 1137072824 /nfs/dbraw/zinc/07/28/24/1137072824.db2.gz DUEUGFMSSZHKGI-CQSZACIVSA-N 1 2 338.436 3.695 20 0 EHADLO Cc1nc2c(cccc2C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)[nH]1 ZINC001136624710 1137072989 /nfs/dbraw/zinc/07/29/89/1137072989.db2.gz GPNCWGUKFWWJKQ-UHFFFAOYSA-N 1 2 331.379 3.618 20 0 EHADLO Cc1cc(NC(=O)Cc2cccc3ncccc23)ccc1-n1cc[nH+]c1 ZINC001136625393 1137073385 /nfs/dbraw/zinc/07/33/85/1137073385.db2.gz IUDOQLVLZCUKOX-UHFFFAOYSA-N 1 2 342.402 3.910 20 0 EHADLO CCO[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000860750173 1137076637 /nfs/dbraw/zinc/07/66/37/1137076637.db2.gz ZOOLPNLPMGFLPG-SFHVURJKSA-N 1 2 342.439 3.853 20 0 EHADLO C[C@@H](CC(=O)OC[C@@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000861009502 1137087552 /nfs/dbraw/zinc/08/75/52/1137087552.db2.gz HBGDPXZFKKOVEA-JSGCOSHPSA-N 1 2 326.318 3.724 20 0 EHADLO O=C1[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CCN1C1CCCCC1 ZINC001171006476 1137087626 /nfs/dbraw/zinc/08/76/26/1137087626.db2.gz HRAUZSZKPMSYIY-SFHVURJKSA-N 1 2 332.875 3.632 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CCN1C1CCCCC1 ZINC001171006476 1137087627 /nfs/dbraw/zinc/08/76/27/1137087627.db2.gz HRAUZSZKPMSYIY-SFHVURJKSA-N 1 2 332.875 3.632 20 0 EHADLO C/C(=C\C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccco1 ZINC000823215862 1137090940 /nfs/dbraw/zinc/09/09/40/1137090940.db2.gz QNBSIIDBQZMRAJ-JLHYYAGUSA-N 1 2 331.441 3.764 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](OC)C2CCCCC2)n1 ZINC000823224110 1137091306 /nfs/dbraw/zinc/09/13/06/1137091306.db2.gz ISHVHMHPCOJQAO-HNNXBMFYSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1cc(Br)c(F)cc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000861201850 1137096633 /nfs/dbraw/zinc/09/66/33/1137096633.db2.gz BOEDGEDMBOYGJP-SNVBAGLBSA-N 1 2 341.180 3.650 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccnc(Cl)c1F ZINC000823386044 1137097280 /nfs/dbraw/zinc/09/72/80/1137097280.db2.gz ATHHZDPETGQBFG-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccnc(Cl)c1F ZINC000823386044 1137097282 /nfs/dbraw/zinc/09/72/82/1137097282.db2.gz ATHHZDPETGQBFG-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO C[C@H](CCC(C)(C)C)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823389313 1137097666 /nfs/dbraw/zinc/09/76/66/1137097666.db2.gz FETZTQKAPFPFBE-NEPJUHHUSA-N 1 2 325.453 3.731 20 0 EHADLO CCC(=O)c1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000861444304 1137106669 /nfs/dbraw/zinc/10/66/69/1137106669.db2.gz XXPFFEQPEDGXCZ-UHFFFAOYSA-N 1 2 341.411 3.621 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(Br)n1 ZINC000862215845 1137132666 /nfs/dbraw/zinc/13/26/66/1137132666.db2.gz UQNFDFFKXJJDRR-CQSZACIVSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(Br)n1 ZINC000862215845 1137132668 /nfs/dbraw/zinc/13/26/68/1137132668.db2.gz UQNFDFFKXJJDRR-CQSZACIVSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(Br)n1 ZINC000862221307 1137132976 /nfs/dbraw/zinc/13/29/76/1137132976.db2.gz YEINTIYUQGNOGC-AWEZNQCLSA-N 1 2 338.224 3.659 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(Br)n1 ZINC000862221307 1137132978 /nfs/dbraw/zinc/13/29/78/1137132978.db2.gz YEINTIYUQGNOGC-AWEZNQCLSA-N 1 2 338.224 3.659 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000824370499 1137135695 /nfs/dbraw/zinc/13/56/95/1137135695.db2.gz JUOUTBJKLHCJLH-RDTXWAMCSA-N 1 2 328.460 3.588 20 0 EHADLO CCn1nc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000824370499 1137135697 /nfs/dbraw/zinc/13/56/97/1137135697.db2.gz JUOUTBJKLHCJLH-RDTXWAMCSA-N 1 2 328.460 3.588 20 0 EHADLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C1CC(F)(F)C1 ZINC000862293794 1137137408 /nfs/dbraw/zinc/13/74/08/1137137408.db2.gz PVOFHJTUSHFZEL-CJNGLKHVSA-N 1 2 339.426 3.963 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccnc(F)c3C)n2)ccc1F ZINC000862340118 1137139030 /nfs/dbraw/zinc/13/90/30/1137139030.db2.gz ANENIZFXCNRQQX-LBPRGKRZSA-N 1 2 344.365 3.877 20 0 EHADLO FC(F)(F)Oc1ccc2c(c1)C[N@@H+](Cc1cn3ccccc3n1)CC2 ZINC001136882690 1137139515 /nfs/dbraw/zinc/13/95/15/1137139515.db2.gz AFVBTLSWSFWSAC-UHFFFAOYSA-N 1 2 347.340 3.791 20 0 EHADLO FC(F)(F)Oc1ccc2c(c1)C[N@H+](Cc1cn3ccccc3n1)CC2 ZINC001136882690 1137139517 /nfs/dbraw/zinc/13/95/17/1137139517.db2.gz AFVBTLSWSFWSAC-UHFFFAOYSA-N 1 2 347.340 3.791 20 0 EHADLO C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000862540413 1137148960 /nfs/dbraw/zinc/14/89/60/1137148960.db2.gz DHXRJOISGKDXMY-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO C[C@H](C[N@@H+](C)Cc1ccnc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000862540413 1137148962 /nfs/dbraw/zinc/14/89/62/1137148962.db2.gz DHXRJOISGKDXMY-SNVBAGLBSA-N 1 2 348.274 3.733 20 0 EHADLO Cc1ncc(C[NH+]2CC(Cc3ccccc3Br)C2)s1 ZINC000862538325 1137149019 /nfs/dbraw/zinc/14/90/19/1137149019.db2.gz QHHJWLXFBXGUKC-UHFFFAOYSA-N 1 2 337.286 3.889 20 0 EHADLO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(Cl)cn3)CC2)c1 ZINC001136925674 1137149555 /nfs/dbraw/zinc/14/95/55/1137149555.db2.gz LISLOVFGMPCYKH-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)c2nccn21 ZINC000825016932 1137161957 /nfs/dbraw/zinc/16/19/57/1137161957.db2.gz JRASNIJSSBAXNX-IUODEOHRSA-N 1 2 341.846 3.733 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136989250 1137164633 /nfs/dbraw/zinc/16/46/33/1137164633.db2.gz CDYKEVJVEJSXTE-OAHLLOKOSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136989250 1137164634 /nfs/dbraw/zinc/16/46/34/1137164634.db2.gz CDYKEVJVEJSXTE-OAHLLOKOSA-N 1 2 339.867 3.614 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncc(Cl)c2)CCCN1C(=O)OC(C)(C)C ZINC001136996617 1137168317 /nfs/dbraw/zinc/16/83/17/1137168317.db2.gz SQRNUHKVHGFXTK-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CCCN1C(=O)OC(C)(C)C ZINC001136996617 1137168318 /nfs/dbraw/zinc/16/83/18/1137168318.db2.gz SQRNUHKVHGFXTK-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(Br)n2)C1 ZINC000794495799 1137171961 /nfs/dbraw/zinc/17/19/61/1137171961.db2.gz JZWSHIDZGMIEFJ-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(Br)n2)C1 ZINC000794495799 1137171962 /nfs/dbraw/zinc/17/19/62/1137171962.db2.gz JZWSHIDZGMIEFJ-DOMZBBRYSA-N 1 2 332.245 3.822 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1nc(Br)cs1 ZINC000119321810 1137174259 /nfs/dbraw/zinc/17/42/59/1137174259.db2.gz ZYVDTONQQIYHFH-UHFFFAOYSA-N 1 2 349.213 3.548 20 0 EHADLO CCC(CC)(CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(F)(F)F ZINC000825365501 1137174846 /nfs/dbraw/zinc/17/48/46/1137174846.db2.gz WGOBHHUFQFDXOF-ZDUSSCGKSA-N 1 2 333.398 3.955 20 0 EHADLO O=C1O[C@H](c2ccccc2)CN1C[NH2+]C1(c2nccs2)CCCC1 ZINC000863263581 1137178519 /nfs/dbraw/zinc/17/85/19/1137178519.db2.gz SIZNPJYBAOXFOS-HNNXBMFYSA-N 1 2 343.452 3.653 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)C1 ZINC000863275259 1137179224 /nfs/dbraw/zinc/17/92/24/1137179224.db2.gz YYIPFMCBZRAHTL-JHJVBQTASA-N 1 2 344.471 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCCC4(CC4)CC3)c(=O)cc2C)cc1 ZINC000863331746 1137181275 /nfs/dbraw/zinc/18/12/75/1137181275.db2.gz UQUDQQNILSZRJQ-UHFFFAOYSA-N 1 2 337.467 3.751 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCCC4(CC4)CC3)c(=O)cc2C)cc1 ZINC000863331746 1137181277 /nfs/dbraw/zinc/18/12/77/1137181277.db2.gz UQUDQQNILSZRJQ-UHFFFAOYSA-N 1 2 337.467 3.751 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccncc1 ZINC000863330595 1137181350 /nfs/dbraw/zinc/18/13/50/1137181350.db2.gz PINNLCGHKFFLCV-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccncc1 ZINC000863330595 1137181351 /nfs/dbraw/zinc/18/13/51/1137181351.db2.gz PINNLCGHKFFLCV-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)[C@H](c1ccccc1)C1CCCCC1 ZINC001143631826 1137184587 /nfs/dbraw/zinc/18/45/87/1137184587.db2.gz GTNVQVGWMTVQDV-HXUWFJFHSA-N 1 2 338.451 3.941 20 0 EHADLO O=C([C@H](c1ccccc1)C1CCCCC1)N1CCc2[nH+]ccn2CC1 ZINC001143635791 1137185001 /nfs/dbraw/zinc/18/50/01/1137185001.db2.gz ZXXGEPNQLMVQJM-HXUWFJFHSA-N 1 2 337.467 3.632 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615851 1137194855 /nfs/dbraw/zinc/19/48/55/1137194855.db2.gz FBLILGCQULLTLO-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccns1 ZINC000863615851 1137194857 /nfs/dbraw/zinc/19/48/57/1137194857.db2.gz FBLILGCQULLTLO-WFASDCNBSA-N 1 2 349.887 3.638 20 0 EHADLO CCn1nccc1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000119589954 1137199186 /nfs/dbraw/zinc/19/91/86/1137199186.db2.gz TYJURMLOAJQWAH-GOSISDBHSA-N 1 2 326.831 3.831 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCc2cnccc2C1 ZINC001143781191 1137199438 /nfs/dbraw/zinc/19/94/38/1137199438.db2.gz LLTTWZBWSXIAGC-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO Fc1cc(OC(F)(F)F)ccc1C[N@H+]1CCc2cnccc2C1 ZINC001143781191 1137199439 /nfs/dbraw/zinc/19/94/39/1137199439.db2.gz LLTTWZBWSXIAGC-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO O[C@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@H]1F ZINC001143797144 1137200606 /nfs/dbraw/zinc/20/06/06/1137200606.db2.gz GBXOGSMNXMYVJK-OLZOCXBDSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC[C@H]1F ZINC001143797144 1137200607 /nfs/dbraw/zinc/20/06/07/1137200607.db2.gz GBXOGSMNXMYVJK-OLZOCXBDSA-N 1 2 326.626 3.942 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1Br ZINC001143819715 1137201556 /nfs/dbraw/zinc/20/15/56/1137201556.db2.gz KJLGSDBNAUXQMG-LBPRGKRZSA-N 1 2 338.142 3.958 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1Br ZINC001143819715 1137201557 /nfs/dbraw/zinc/20/15/57/1137201557.db2.gz KJLGSDBNAUXQMG-LBPRGKRZSA-N 1 2 338.142 3.958 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@H](C(=O)OC)CC2)c1F ZINC001143837211 1137204370 /nfs/dbraw/zinc/20/43/70/1137204370.db2.gz MNEKANWKAIRSHN-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@H](C(=O)OC)CC2)c1F ZINC001143837211 1137204371 /nfs/dbraw/zinc/20/43/71/1137204371.db2.gz MNEKANWKAIRSHN-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cccc(C)c2C)[nH+]1 ZINC000844264681 1137207196 /nfs/dbraw/zinc/20/71/96/1137207196.db2.gz MDRDGMIFJKLQDW-UHFFFAOYSA-N 1 2 327.424 3.813 20 0 EHADLO C[C@@H](Nc1ccc(C2(C(F)(F)F)CC2)c[nH+]1)c1ncc(F)cn1 ZINC001171114551 1137207905 /nfs/dbraw/zinc/20/79/05/1137207905.db2.gz XGUYCBUUIAFDNQ-SECBINFHSA-N 1 2 326.297 3.778 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)[C@H]2C ZINC001171120580 1137215045 /nfs/dbraw/zinc/21/50/45/1137215045.db2.gz DWZNFCLUQHFWLW-GUYCJALGSA-N 1 2 345.874 3.617 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)[C@H]2C ZINC001171120580 1137215046 /nfs/dbraw/zinc/21/50/46/1137215046.db2.gz DWZNFCLUQHFWLW-GUYCJALGSA-N 1 2 345.874 3.617 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)CC2(CCOCC2)O1 ZINC000794586646 1137215728 /nfs/dbraw/zinc/21/57/28/1137215728.db2.gz UVBMJKFNXFCNTA-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)CC2(CCOCC2)O1 ZINC000794586646 1137215729 /nfs/dbraw/zinc/21/57/29/1137215729.db2.gz UVBMJKFNXFCNTA-AWEZNQCLSA-N 1 2 346.858 3.658 20 0 EHADLO Cc1cc(NC(=O)Cc2ccc3cccnc3c2)ccc1-n1cc[nH+]c1 ZINC001143946557 1137217277 /nfs/dbraw/zinc/21/72/77/1137217277.db2.gz OMBFLTJSPWCSBT-UHFFFAOYSA-N 1 2 342.402 3.910 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001143970032 1137220000 /nfs/dbraw/zinc/22/00/00/1137220000.db2.gz FKIAHYHEXOEVFB-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001143970032 1137220001 /nfs/dbraw/zinc/22/00/01/1137220001.db2.gz FKIAHYHEXOEVFB-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@@H](O)c1ccccc1 ZINC000794614798 1137220857 /nfs/dbraw/zinc/22/08/57/1137220857.db2.gz SUGURQZPMMPZPF-OALUTQOASA-N 1 2 343.471 3.965 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001143976566 1137222783 /nfs/dbraw/zinc/22/27/83/1137222783.db2.gz IGVGQNJFPAVBIP-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001143976566 1137222785 /nfs/dbraw/zinc/22/27/85/1137222785.db2.gz IGVGQNJFPAVBIP-OAHLLOKOSA-N 1 2 333.378 3.765 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440907 1137223676 /nfs/dbraw/zinc/22/36/76/1137223676.db2.gz WKTQRZKYQZMZQB-ABAIWWIYSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440907 1137223677 /nfs/dbraw/zinc/22/36/77/1137223677.db2.gz WKTQRZKYQZMZQB-ABAIWWIYSA-N 1 2 328.790 3.788 20 0 EHADLO C[C@@H](CC(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000844489052 1137228225 /nfs/dbraw/zinc/22/82/25/1137228225.db2.gz HJIBCSFZDMAVRU-SMDDNHRTSA-N 1 2 344.308 3.690 20 0 EHADLO CN(CC[N@H+](C)Cc1cc(Cl)c(F)cc1F)C(=O)OC(C)(C)C ZINC001144120038 1137240862 /nfs/dbraw/zinc/24/08/62/1137240862.db2.gz APEJKXCPYGGARN-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO CN(CC[N@@H+](C)Cc1cc(Cl)c(F)cc1F)C(=O)OC(C)(C)C ZINC001144120038 1137240863 /nfs/dbraw/zinc/24/08/63/1137240863.db2.gz APEJKXCPYGGARN-UHFFFAOYSA-N 1 2 348.821 3.917 20 0 EHADLO COC(=O)c1onc(C)c1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212613365 1137244227 /nfs/dbraw/zinc/24/42/27/1137244227.db2.gz QFYQCGAQGGBXNK-UHFFFAOYSA-N 1 2 344.415 3.677 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844684951 1137246976 /nfs/dbraw/zinc/24/69/76/1137246976.db2.gz NIQSFMBXQBHARN-UHFFFAOYSA-N 1 2 325.865 3.561 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844684951 1137246977 /nfs/dbraw/zinc/24/69/77/1137246977.db2.gz NIQSFMBXQBHARN-UHFFFAOYSA-N 1 2 325.865 3.561 20 0 EHADLO C[C@]1(c2cccc(F)c2)CC[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000844719681 1137247748 /nfs/dbraw/zinc/24/77/48/1137247748.db2.gz QMQHPRIEPNOIJW-IBGZPJMESA-N 1 2 346.471 3.549 20 0 EHADLO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000844719681 1137247750 /nfs/dbraw/zinc/24/77/50/1137247750.db2.gz QMQHPRIEPNOIJW-IBGZPJMESA-N 1 2 346.471 3.549 20 0 EHADLO FC(F)(F)c1ccc(OC2C[NH+](Cc3ccc4cc[nH]c4n3)C2)cc1 ZINC001144186709 1137251104 /nfs/dbraw/zinc/25/11/04/1137251104.db2.gz FJMLAUQVOBAXEL-UHFFFAOYSA-N 1 2 347.340 3.845 20 0 EHADLO CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158720 1137265990 /nfs/dbraw/zinc/26/59/90/1137265990.db2.gz MMDBVNPMKFACGP-CTNGQTDRSA-N 1 2 339.483 3.952 20 0 EHADLO O=C(/C=C\c1ccccc1C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158373 1137266027 /nfs/dbraw/zinc/26/60/27/1137266027.db2.gz JMLXLVJPSWFDMA-LZNQSLFOSA-N 1 2 349.356 3.779 20 0 EHADLO O=C(NCCC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000844965673 1137266081 /nfs/dbraw/zinc/26/60/81/1137266081.db2.gz VHMHTNNPXYRVPG-ZDUSSCGKSA-N 1 2 338.238 3.576 20 0 EHADLO Cc1ccccc1C1(NC(=O)NCc2ccn3cc[nH+]c3c2)CCC1 ZINC000845059786 1137273145 /nfs/dbraw/zinc/27/31/45/1137273145.db2.gz ZBCWSHXZGUTGFO-UHFFFAOYSA-N 1 2 334.423 3.521 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)sc1C ZINC001144378152 1137279053 /nfs/dbraw/zinc/27/90/53/1137279053.db2.gz WURYVHDHFAMNIL-CQSZACIVSA-N 1 2 333.476 3.778 20 0 EHADLO COc1cc2c(cc(Cl)nc2N[C@@H](C)Cn2cc[nH+]c2)cc1F ZINC000865440330 1137283987 /nfs/dbraw/zinc/28/39/87/1137283987.db2.gz FIXNVCUKGVDJQO-JTQLQIEISA-N 1 2 334.782 3.733 20 0 EHADLO Cc1ccnc(C[NH2+][C@H]2CCc3c2cccc3O)c1Br ZINC000865451840 1137285069 /nfs/dbraw/zinc/28/50/69/1137285069.db2.gz BRBWHCPMVBVIET-ZDUSSCGKSA-N 1 2 333.229 3.635 20 0 EHADLO COc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)c(OC2CCCC2)c1 ZINC000865481953 1137287904 /nfs/dbraw/zinc/28/79/04/1137287904.db2.gz ZVJVCZHOGTXLDF-UHFFFAOYSA-N 1 2 341.455 3.838 20 0 EHADLO Cc1c(Cl)cccc1CNc1ccc[nH+]c1N1CCC(O)CC1 ZINC000865510995 1137290418 /nfs/dbraw/zinc/29/04/18/1137290418.db2.gz ZBOJBVHETJSGOV-UHFFFAOYSA-N 1 2 331.847 3.617 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc3c(F)cccc3c2)[nH]1 ZINC000865542878 1137293377 /nfs/dbraw/zinc/29/33/77/1137293377.db2.gz YJYBDBMEPHDSJE-VXGBXAGGSA-N 1 2 327.407 3.856 20 0 EHADLO C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1cnc2ccccc2c1 ZINC000845460249 1137293455 /nfs/dbraw/zinc/29/34/55/1137293455.db2.gz QDAUGPNCIIFFGU-CQSZACIVSA-N 1 2 335.407 3.615 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc[nH]c2C(C)C)[nH+]1 ZINC000845468333 1137293878 /nfs/dbraw/zinc/29/38/78/1137293878.db2.gz BHRZYDBLTRVMBZ-UHFFFAOYSA-N 1 2 330.428 3.648 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCc2sc(Cl)cc21 ZINC000845498102 1137295037 /nfs/dbraw/zinc/29/50/37/1137295037.db2.gz VFAZCYILQIXAEV-LBPRGKRZSA-N 1 2 336.844 3.708 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2CCCC2(F)F)c(-c2cc(F)ccc2F)n1 ZINC000865569976 1137295963 /nfs/dbraw/zinc/29/59/63/1137295963.db2.gz YVEJOMTYMVDGJU-CQSZACIVSA-N 1 2 327.325 3.643 20 0 EHADLO CCc1nc(C)c(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)o1 ZINC000865578101 1137296429 /nfs/dbraw/zinc/29/64/29/1137296429.db2.gz XEHWENQLBGSPDX-UHFFFAOYSA-N 1 2 332.297 3.873 20 0 EHADLO CC(C)S[C@H]1CCCC[C@@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845511140 1137297460 /nfs/dbraw/zinc/29/74/60/1137297460.db2.gz QPRLYVUHFFFZMH-HOTGVXAUSA-N 1 2 336.501 3.758 20 0 EHADLO C[C@H](CC(=O)O[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)n1cc[nH+]c1 ZINC000845561514 1137297959 /nfs/dbraw/zinc/29/79/59/1137297959.db2.gz JQGDNTLCMYKVNQ-OIISXLGYSA-N 1 2 328.412 3.624 20 0 EHADLO C[C@H](O)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1F ZINC000865616352 1137299142 /nfs/dbraw/zinc/29/91/42/1137299142.db2.gz GGYSLFFZBTVBHA-MGPLVRAMSA-N 1 2 343.320 3.778 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865622776 1137299582 /nfs/dbraw/zinc/29/95/82/1137299582.db2.gz DMSNYSVHYSOIBA-UHFFFAOYSA-N 1 2 341.329 3.734 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC1(c2c(F)cccc2Cl)CC1 ZINC000845614434 1137302506 /nfs/dbraw/zinc/30/25/06/1137302506.db2.gz PIDCWHKPDMEUPA-UHFFFAOYSA-N 1 2 348.805 3.787 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H]1CC2CCC1CC2 ZINC000845754374 1137308631 /nfs/dbraw/zinc/30/86/31/1137308631.db2.gz AGXJKSZKJQWGMS-VVLHZNOGSA-N 1 2 344.503 3.524 20 0 EHADLO CCc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)o1 ZINC000865803525 1137312757 /nfs/dbraw/zinc/31/27/57/1137312757.db2.gz FPZPDNLXABJDRJ-UHFFFAOYSA-N 1 2 327.350 3.683 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@]23CCOC3)c(F)cc1Br ZINC001144591430 1137313787 /nfs/dbraw/zinc/31/37/87/1137313787.db2.gz ZDGJBKHTURSDCH-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@]23CCOC3)c(F)cc1Br ZINC001144591430 1137313789 /nfs/dbraw/zinc/31/37/89/1137313789.db2.gz ZDGJBKHTURSDCH-OAHLLOKOSA-N 1 2 328.225 3.652 20 0 EHADLO Brc1cnc(C[NH2+]Cc2cnc(C3CC3)s2)s1 ZINC000865848875 1137316225 /nfs/dbraw/zinc/31/62/25/1137316225.db2.gz LJCZGDCJHBQKTL-UHFFFAOYSA-N 1 2 330.276 3.529 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@H]4CC[C@@H](C3)S4)nc[nH+]2)cc1 ZINC000865967005 1137322590 /nfs/dbraw/zinc/32/25/90/1137322590.db2.gz MMQYRPUHXAEHSR-CVEARBPZSA-N 1 2 326.469 3.563 20 0 EHADLO c1ccc(CNc2cc(N3CC[C@H]4CC[C@@H](C3)S4)[nH+]cn2)cc1 ZINC000865967005 1137322592 /nfs/dbraw/zinc/32/25/92/1137322592.db2.gz MMQYRPUHXAEHSR-CVEARBPZSA-N 1 2 326.469 3.563 20 0 EHADLO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(O)cc2F)cc1 ZINC001144663778 1137325132 /nfs/dbraw/zinc/32/51/32/1137325132.db2.gz ISISKMGWOWSOHO-QGZVFWFLSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(O)cc2F)cc1 ZINC001144663778 1137325134 /nfs/dbraw/zinc/32/51/34/1137325134.db2.gz ISISKMGWOWSOHO-QGZVFWFLSA-N 1 2 347.361 3.794 20 0 EHADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000846019999 1137326660 /nfs/dbraw/zinc/32/66/60/1137326660.db2.gz ZEYYGRIERYQLAO-ZFWWWQNUSA-N 1 2 331.847 3.583 20 0 EHADLO Cc1ccc(C[NH2+]C2(c3ccccc3Br)CCC2)nn1 ZINC000845994588 1137327148 /nfs/dbraw/zinc/32/71/48/1137327148.db2.gz GZQSGKRJZXFRPM-UHFFFAOYSA-N 1 2 332.245 3.717 20 0 EHADLO COCc1cc[nH+]c(NCc2sc3nc(C)nc(C)c3c2C)c1 ZINC000846116493 1137333795 /nfs/dbraw/zinc/33/37/95/1137333795.db2.gz CBFLJEGIXYQGCQ-UHFFFAOYSA-N 1 2 328.441 3.770 20 0 EHADLO CCn1cnnc1C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1F ZINC000866235241 1137337403 /nfs/dbraw/zinc/33/74/03/1137337403.db2.gz ZNSNGFDEXLFFAK-GOSISDBHSA-N 1 2 342.393 3.650 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2nc(Br)cs2)c1 ZINC000846215516 1137341796 /nfs/dbraw/zinc/34/17/96/1137341796.db2.gz LAXMCBHYFQLHEG-MRVPVSSYSA-N 1 2 328.235 3.620 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1OC ZINC001144755157 1137342974 /nfs/dbraw/zinc/34/29/74/1137342974.db2.gz UWELXQUSYNGCDB-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1OC ZINC001144755157 1137342976 /nfs/dbraw/zinc/34/29/76/1137342976.db2.gz UWELXQUSYNGCDB-UHFFFAOYSA-N 1 2 349.377 3.539 20 0 EHADLO Cc1ccn(-c2ccccc2C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)n1 ZINC000866307094 1137343991 /nfs/dbraw/zinc/34/39/91/1137343991.db2.gz QIGRKKAEJHXQGB-YLJYHZDGSA-N 1 2 337.398 3.742 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccccn1 ZINC000866334638 1137346653 /nfs/dbraw/zinc/34/66/53/1137346653.db2.gz WECCJBHQTYICKW-JXXFODFXSA-N 1 2 340.471 3.899 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000866350933 1137348291 /nfs/dbraw/zinc/34/82/91/1137348291.db2.gz KBPRCZVLUDQBJC-JTQLQIEISA-N 1 2 330.379 3.761 20 0 EHADLO c1ccc(CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccn2)cc1 ZINC000866363410 1137349604 /nfs/dbraw/zinc/34/96/04/1137349604.db2.gz JZWUCIMRAYYFDT-SFHVURJKSA-N 1 2 333.439 3.541 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001144873705 1137358786 /nfs/dbraw/zinc/35/87/86/1137358786.db2.gz YKSIQBIEQKZVRY-UHFFFAOYSA-N 1 2 325.456 3.765 20 0 EHADLO CCOC(=O)c1cc(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)on1 ZINC000866516797 1137360660 /nfs/dbraw/zinc/36/06/60/1137360660.db2.gz VRYAXYNLXFGLNB-MRXNPFEDSA-N 1 2 338.354 3.616 20 0 EHADLO CC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000846950210 1137378584 /nfs/dbraw/zinc/37/85/84/1137378584.db2.gz MQHMJTJUIUPZDC-SNVBAGLBSA-N 1 2 343.254 3.621 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3cnc(Cl)cn3)CC2)n1 ZINC000847034123 1137382111 /nfs/dbraw/zinc/38/21/11/1137382111.db2.gz KZORQOQEEQXWHR-UHFFFAOYSA-N 1 2 336.892 3.604 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3cnc(Cl)c(F)c3)CC2)nc1 ZINC000847008581 1137382492 /nfs/dbraw/zinc/38/24/92/1137382492.db2.gz MLBCIGYNZPKOST-UHFFFAOYSA-N 1 2 335.810 3.657 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000847049267 1137384103 /nfs/dbraw/zinc/38/41/03/1137384103.db2.gz UVDWMHGNJPGDGU-LBPRGKRZSA-N 1 2 338.398 3.537 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000121885502 1137388356 /nfs/dbraw/zinc/38/83/56/1137388356.db2.gz WTVFYFXTVOAXTI-MRXNPFEDSA-N 1 2 336.439 3.905 20 0 EHADLO Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001146499494 1137390642 /nfs/dbraw/zinc/39/06/42/1137390642.db2.gz TVSAIDPGMKBTRU-VIFPVBQESA-N 1 2 342.624 3.807 20 0 EHADLO CC[N@H+](CC(=O)N1CCS[C@H](C)[C@@H]1C)Cc1ccccc1Cl ZINC001146701281 1137392906 /nfs/dbraw/zinc/39/29/06/1137392906.db2.gz YYMZSQPKPXQMDL-UONOGXRCSA-N 1 2 340.920 3.514 20 0 EHADLO CC[N@@H+](CC(=O)N1CCS[C@H](C)[C@@H]1C)Cc1ccccc1Cl ZINC001146701281 1137392907 /nfs/dbraw/zinc/39/29/07/1137392907.db2.gz YYMZSQPKPXQMDL-UONOGXRCSA-N 1 2 340.920 3.514 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941529 1137397408 /nfs/dbraw/zinc/39/74/08/1137397408.db2.gz WJJCPBNYVNUBKD-CJNGLKHVSA-N 1 2 343.496 3.698 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001146941529 1137397409 /nfs/dbraw/zinc/39/74/09/1137397409.db2.gz WJJCPBNYVNUBKD-CJNGLKHVSA-N 1 2 343.496 3.698 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001147814059 1137412591 /nfs/dbraw/zinc/41/25/91/1137412591.db2.gz DGPATVBXZLLKKL-GOSISDBHSA-N 1 2 327.472 3.844 20 0 EHADLO CCCCCCNC(=O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122225080 1137415848 /nfs/dbraw/zinc/41/58/48/1137415848.db2.gz PGBFLAOBVJLKNG-AWEZNQCLSA-N 1 2 325.522 3.703 20 0 EHADLO CCCCCCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122225080 1137415849 /nfs/dbraw/zinc/41/58/49/1137415849.db2.gz PGBFLAOBVJLKNG-AWEZNQCLSA-N 1 2 325.522 3.703 20 0 EHADLO Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001148216260 1137419847 /nfs/dbraw/zinc/41/98/47/1137419847.db2.gz IXQOVNXMGXNMJT-INIZCTEOSA-N 1 2 349.434 3.556 20 0 EHADLO O=C(c1ccccc1C1CC1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148473219 1137425645 /nfs/dbraw/zinc/42/56/45/1137425645.db2.gz WTOYXVKUHHJYCM-QGZVFWFLSA-N 1 2 334.410 3.510 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(-c2ccccc2)c1O ZINC001148861097 1137436405 /nfs/dbraw/zinc/43/64/05/1137436405.db2.gz LDPUZDMKFRNPEX-UHFFFAOYSA-N 1 2 329.359 3.959 20 0 EHADLO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001148879004 1137436796 /nfs/dbraw/zinc/43/67/96/1137436796.db2.gz SWTOLVCCFOTOPN-GOSISDBHSA-N 1 2 347.418 3.802 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001148934003 1137438149 /nfs/dbraw/zinc/43/81/49/1137438149.db2.gz PZAQNYAGQZDILJ-UHFFFAOYSA-N 1 2 339.354 3.798 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)c1ccc(Cl)cc1C(F)(F)F ZINC001148966607 1137438990 /nfs/dbraw/zinc/43/89/90/1137438990.db2.gz VZQNQENCPGDVEW-UHFFFAOYSA-N 1 2 344.720 3.563 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000348106191 1137441299 /nfs/dbraw/zinc/44/12/99/1137441299.db2.gz FVOZTUHSDJVRAT-UONOGXRCSA-N 1 2 331.485 3.542 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000282803476 1137453841 /nfs/dbraw/zinc/45/38/41/1137453841.db2.gz QWORUSITHZDUHR-AWEZNQCLSA-N 1 2 334.851 3.690 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCc3ccccc3C2(C)C)sc1C ZINC001171427530 1137480227 /nfs/dbraw/zinc/48/02/27/1137480227.db2.gz ZUQKCLCBABKTJP-UHFFFAOYSA-N 1 2 343.496 3.746 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCc3ccccc3C2(C)C)sc1C ZINC001171427530 1137480228 /nfs/dbraw/zinc/48/02/28/1137480228.db2.gz ZUQKCLCBABKTJP-UHFFFAOYSA-N 1 2 343.496 3.746 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1c2cc(F)ccc2oc1=O ZINC000773299141 1137487640 /nfs/dbraw/zinc/48/76/40/1137487640.db2.gz BZOPBAFKDFBBGB-OAHLLOKOSA-N 1 2 342.370 3.537 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cn1c2cc(F)ccc2oc1=O ZINC000773299141 1137487641 /nfs/dbraw/zinc/48/76/41/1137487641.db2.gz BZOPBAFKDFBBGB-OAHLLOKOSA-N 1 2 342.370 3.537 20 0 EHADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171464011 1137490869 /nfs/dbraw/zinc/49/08/69/1137490869.db2.gz ZDHNBOMWWMEELD-CRAIPNDOSA-N 1 2 337.410 3.534 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489170 1137491306 /nfs/dbraw/zinc/49/13/06/1137491306.db2.gz RTKFIMTVFBDVGL-PBHICJAKSA-N 1 2 333.382 3.741 20 0 EHADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@@H]2CCc3cc(F)c(F)cc3C2)no1 ZINC001171489170 1137491308 /nfs/dbraw/zinc/49/13/08/1137491308.db2.gz RTKFIMTVFBDVGL-PBHICJAKSA-N 1 2 333.382 3.741 20 0 EHADLO O=C(CCc1ccc(C(F)F)cc1)OCC1CN(c2cccc[nH+]2)C1 ZINC000870442487 1137492716 /nfs/dbraw/zinc/49/27/16/1137492716.db2.gz MHBMCUVTIAPBNU-UHFFFAOYSA-N 1 2 346.377 3.631 20 0 EHADLO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266095380 1137494903 /nfs/dbraw/zinc/49/49/03/1137494903.db2.gz JPJGGDPZBNRBHO-GFCCVEGCSA-N 1 2 348.244 3.500 20 0 EHADLO COC(=O)c1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1C ZINC001212623413 1137497124 /nfs/dbraw/zinc/49/71/24/1137497124.db2.gz GERNEVZRFAFJJZ-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)CCc2ccc(C)cc2)Cc2ccccc2C1 ZINC001171655747 1137502172 /nfs/dbraw/zinc/50/21/72/1137502172.db2.gz ONDFATCVNLUIKB-QGZVFWFLSA-N 1 2 337.463 3.616 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172361950 1137554750 /nfs/dbraw/zinc/55/47/50/1137554750.db2.gz PTGJWSSXDVIHJM-QXSJWSMHSA-N 1 2 327.509 3.926 20 0 EHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001172361952 1137554772 /nfs/dbraw/zinc/55/47/72/1137554772.db2.gz PTGJWSSXDVIHJM-WCVJEAGWSA-N 1 2 327.509 3.926 20 0 EHADLO Cc1cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)o1 ZINC000123761836 1137557474 /nfs/dbraw/zinc/55/74/74/1137557474.db2.gz HDMRLWNSJZPZAH-RBUKOAKNSA-N 1 2 348.874 3.711 20 0 EHADLO Cc1cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)o1 ZINC000123761836 1137557475 /nfs/dbraw/zinc/55/74/75/1137557475.db2.gz HDMRLWNSJZPZAH-RBUKOAKNSA-N 1 2 348.874 3.711 20 0 EHADLO Cc1cc([NH2+][C@H]2CCOC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000872060744 1137568900 /nfs/dbraw/zinc/56/89/00/1137568900.db2.gz SMCRHNKGLOCXNH-SFHVURJKSA-N 1 2 330.472 3.735 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000872061700 1137569037 /nfs/dbraw/zinc/56/90/37/1137569037.db2.gz ZCUGWDJPTSWBAV-APWZRJJASA-N 1 2 343.471 3.968 20 0 EHADLO CC(C)Oc1cccc([C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C(F)F)c1 ZINC000872112284 1137571851 /nfs/dbraw/zinc/57/18/51/1137571851.db2.gz ISFCCVHQSXCEMD-CZUORRHYSA-N 1 2 341.398 3.713 20 0 EHADLO CCC[C@@H](OC)c1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182454 1137575530 /nfs/dbraw/zinc/57/55/30/1137575530.db2.gz MTPNGEBMILZTMA-NEPJUHHUSA-N 1 2 329.322 3.624 20 0 EHADLO Fc1cccc2c(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c21 ZINC001137060536 1137581211 /nfs/dbraw/zinc/58/12/11/1137581211.db2.gz VCIXGSFRRCVEOQ-MRXNPFEDSA-N 1 2 337.389 3.612 20 0 EHADLO O=C1C[C@@H](C2CCCCC2)CN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000872565997 1137581529 /nfs/dbraw/zinc/58/15/29/1137581529.db2.gz TWMKDRICWFUVIR-IEBWSBKVSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1C[C@@H](C2CCCCC2)CN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000872565997 1137581530 /nfs/dbraw/zinc/58/15/30/1137581530.db2.gz TWMKDRICWFUVIR-IEBWSBKVSA-N 1 2 327.472 3.605 20 0 EHADLO CC(C)(O)[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000872672387 1137582656 /nfs/dbraw/zinc/58/26/56/1137582656.db2.gz NQAOMLLGTSNCSA-ZDUSSCGKSA-N 1 2 349.272 3.985 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc(-c2cccnc2)n(C)c1=S)C(C)(C)C ZINC000872818822 1137584995 /nfs/dbraw/zinc/58/49/95/1137584995.db2.gz QGQPICBUSWMVRZ-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc(-c2cccnc2)n(C)c1=S)C(C)(C)C ZINC000872818822 1137584996 /nfs/dbraw/zinc/58/49/96/1137584996.db2.gz QGQPICBUSWMVRZ-ZDUSSCGKSA-N 1 2 333.505 3.585 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000874155055 1137611178 /nfs/dbraw/zinc/61/11/78/1137611178.db2.gz VZHOPIDGNNZCNH-CMPLNLGQSA-N 1 2 331.363 3.624 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000874346696 1137613181 /nfs/dbraw/zinc/61/31/81/1137613181.db2.gz QEPNXJSZWJJSFS-MOPGFXCFSA-N 1 2 325.456 3.624 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000874345518 1137613241 /nfs/dbraw/zinc/61/32/41/1137613241.db2.gz AOVPPSVXNCXFAH-FXAWDEMLSA-N 1 2 341.430 3.554 20 0 EHADLO CCC(CC)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000876081455 1137643656 /nfs/dbraw/zinc/64/36/56/1137643656.db2.gz DBAINLCSOGMJJV-GFCCVEGCSA-N 1 2 346.397 3.667 20 0 EHADLO CCOc1cc(F)cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000876537408 1137654850 /nfs/dbraw/zinc/65/48/50/1137654850.db2.gz QHRNXWJHELJKCD-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000876537408 1137654851 /nfs/dbraw/zinc/65/48/51/1137654851.db2.gz QHRNXWJHELJKCD-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO C[N@H+](Cc1ccco1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876540242 1137654981 /nfs/dbraw/zinc/65/49/81/1137654981.db2.gz VVIHQLMUKXIXBN-UHFFFAOYSA-N 1 2 349.431 3.659 20 0 EHADLO C[N@@H+](Cc1ccco1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876540242 1137654982 /nfs/dbraw/zinc/65/49/82/1137654982.db2.gz VVIHQLMUKXIXBN-UHFFFAOYSA-N 1 2 349.431 3.659 20 0 EHADLO Fc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)cc1 ZINC001137872409 1137655505 /nfs/dbraw/zinc/65/55/05/1137655505.db2.gz OSKXUYNHLHPKMP-HNNXBMFYSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)cc1 ZINC001137872409 1137655506 /nfs/dbraw/zinc/65/55/06/1137655506.db2.gz OSKXUYNHLHPKMP-HNNXBMFYSA-N 1 2 325.305 3.896 20 0 EHADLO CCCn1cc(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)nn1 ZINC000876567407 1137655719 /nfs/dbraw/zinc/65/57/19/1137655719.db2.gz KFPJTFOYOGQEIO-UHFFFAOYSA-N 1 2 335.455 3.767 20 0 EHADLO CCCn1cc(C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)nn1 ZINC000876567407 1137655720 /nfs/dbraw/zinc/65/57/20/1137655720.db2.gz KFPJTFOYOGQEIO-UHFFFAOYSA-N 1 2 335.455 3.767 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2cccnc2Br)CC2CC2)c1 ZINC000876652548 1137658194 /nfs/dbraw/zinc/65/81/94/1137658194.db2.gz PRNUCWPFHCIEQZ-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO Oc1cccc(C[N@H+](Cc2cccnc2Br)CC2CC2)c1 ZINC000876652548 1137658195 /nfs/dbraw/zinc/65/81/95/1137658195.db2.gz PRNUCWPFHCIEQZ-UHFFFAOYSA-N 1 2 347.256 3.962 20 0 EHADLO CCOC(=O)N(C)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000876824291 1137662944 /nfs/dbraw/zinc/66/29/44/1137662944.db2.gz JJOGVROJZKKFNR-UHFFFAOYSA-N 1 2 343.427 3.912 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877078880 1137669778 /nfs/dbraw/zinc/66/97/78/1137669778.db2.gz ILPPRVRQPAVWNX-UHFFFAOYSA-N 1 2 337.217 3.613 20 0 EHADLO O=C(C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1)C(F)(F)F ZINC000825953160 1137674255 /nfs/dbraw/zinc/67/42/55/1137674255.db2.gz ZJBJSWXBYUFAPW-UHFFFAOYSA-N 1 2 326.293 3.722 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000877376600 1137674988 /nfs/dbraw/zinc/67/49/88/1137674988.db2.gz VGOODLIZYXXOIO-MRXNPFEDSA-N 1 2 328.460 3.652 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000877376600 1137674989 /nfs/dbraw/zinc/67/49/89/1137674989.db2.gz VGOODLIZYXXOIO-MRXNPFEDSA-N 1 2 328.460 3.652 20 0 EHADLO COc1cc(Br)ccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877427022 1137675985 /nfs/dbraw/zinc/67/59/85/1137675985.db2.gz TUJFCPUWQNMWTP-UHFFFAOYSA-N 1 2 347.665 3.857 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000877672427 1137685136 /nfs/dbraw/zinc/68/51/36/1137685136.db2.gz DZUWKWNATJQKNB-HIFRSBDPSA-N 1 2 336.229 3.740 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000877672427 1137685137 /nfs/dbraw/zinc/68/51/37/1137685137.db2.gz DZUWKWNATJQKNB-HIFRSBDPSA-N 1 2 336.229 3.740 20 0 EHADLO Clc1cncc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000877736092 1137687422 /nfs/dbraw/zinc/68/74/22/1137687422.db2.gz ITPRCNAOQZXMCF-UHFFFAOYSA-N 1 2 332.835 3.765 20 0 EHADLO c1coc(C[NH+](Cc2ccco2)C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000877894395 1137694565 /nfs/dbraw/zinc/69/45/65/1137694565.db2.gz LXVOZBBNRSZSMO-LJQANCHMSA-N 1 2 345.439 3.851 20 0 EHADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)nc1Cl ZINC000877959621 1137697043 /nfs/dbraw/zinc/69/70/43/1137697043.db2.gz PAIOTOTWUFQFAJ-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)nc1Cl ZINC000877959621 1137697044 /nfs/dbraw/zinc/69/70/44/1137697044.db2.gz PAIOTOTWUFQFAJ-UHFFFAOYSA-N 1 2 349.906 3.658 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(O)c3)o2)s1 ZINC000878084626 1137701542 /nfs/dbraw/zinc/70/15/42/1137701542.db2.gz WBPZJAJQIXKCGV-LLVKDONJSA-N 1 2 344.440 3.709 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(-c3cccc(O)c3)o2)s1 ZINC000878084626 1137701543 /nfs/dbraw/zinc/70/15/43/1137701543.db2.gz WBPZJAJQIXKCGV-LLVKDONJSA-N 1 2 344.440 3.709 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000878137594 1137703958 /nfs/dbraw/zinc/70/39/58/1137703958.db2.gz YVOZMDIONBAIQR-FRRDWIJNSA-N 1 2 326.893 3.801 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000878137594 1137703959 /nfs/dbraw/zinc/70/39/59/1137703959.db2.gz YVOZMDIONBAIQR-FRRDWIJNSA-N 1 2 326.893 3.801 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000878345850 1137711755 /nfs/dbraw/zinc/71/17/55/1137711755.db2.gz BRHITWHSIZMQIO-ZDUSSCGKSA-N 1 2 339.395 3.610 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2noc3c2CC(C)(C)CC3)C(C)(C)C)cn1 ZINC000878371529 1137713113 /nfs/dbraw/zinc/71/31/13/1137713113.db2.gz NFAIHBJAMIRPJU-QGZVFWFLSA-N 1 2 330.476 3.800 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)ccc1C ZINC000878374438 1137713348 /nfs/dbraw/zinc/71/33/48/1137713348.db2.gz FQRNZQRAIPSPFD-MRXNPFEDSA-N 1 2 343.427 3.529 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455460 1137716745 /nfs/dbraw/zinc/71/67/45/1137716745.db2.gz ZLSNLRUYYRHAJL-CMPLNLGQSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878455460 1137716746 /nfs/dbraw/zinc/71/67/46/1137716746.db2.gz ZLSNLRUYYRHAJL-CMPLNLGQSA-N 1 2 344.406 3.706 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4ccsc4[C@@H]3C)ccc2[nH+]1 ZINC000878565995 1137720638 /nfs/dbraw/zinc/72/06/38/1137720638.db2.gz XZNVXXYPWMBSBF-LBPRGKRZSA-N 1 2 326.425 3.855 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000878658534 1137724087 /nfs/dbraw/zinc/72/40/87/1137724087.db2.gz YWMGAUSIKPAUIU-GOEBONIOSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000878658534 1137724088 /nfs/dbraw/zinc/72/40/88/1137724088.db2.gz YWMGAUSIKPAUIU-GOEBONIOSA-N 1 2 338.879 3.722 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1scnc1Cl ZINC000878814663 1137729059 /nfs/dbraw/zinc/72/90/59/1137729059.db2.gz QXJFDUFTZUBPQZ-GHMZBOCLSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1scnc1Cl ZINC000878814663 1137729060 /nfs/dbraw/zinc/72/90/60/1137729060.db2.gz QXJFDUFTZUBPQZ-GHMZBOCLSA-N 1 2 345.896 3.674 20 0 EHADLO Fc1ccccc1OC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000879195944 1137740736 /nfs/dbraw/zinc/74/07/36/1137740736.db2.gz UDYGSTYUXGJVMS-UHFFFAOYSA-N 1 2 326.824 3.979 20 0 EHADLO COC(=O)c1ccc(CSCc2cc[nH+]c(N(C)C)c2)c(F)c1 ZINC000127778942 1137748860 /nfs/dbraw/zinc/74/88/60/1137748860.db2.gz LCOKDASMSZPJLM-UHFFFAOYSA-N 1 2 334.416 3.507 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3ncc(Cl)s3)C2)cc1F ZINC000626126436 1137753483 /nfs/dbraw/zinc/75/34/83/1137753483.db2.gz OCLVGUKNDJFAKD-NSHDSACASA-N 1 2 326.824 3.934 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3ncc(Cl)s3)C2)cc1F ZINC000626126436 1137753484 /nfs/dbraw/zinc/75/34/84/1137753484.db2.gz OCLVGUKNDJFAKD-NSHDSACASA-N 1 2 326.824 3.934 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccnn2C)oc1-c1ccc(Cl)cc1 ZINC000879684831 1137755301 /nfs/dbraw/zinc/75/53/01/1137755301.db2.gz PVLCCZYIXZMRNJ-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724264 1137756534 /nfs/dbraw/zinc/75/65/34/1137756534.db2.gz DZUPZGBEZPKZQM-NSHDSACASA-N 1 2 345.244 3.913 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724264 1137756535 /nfs/dbraw/zinc/75/65/35/1137756535.db2.gz DZUPZGBEZPKZQM-NSHDSACASA-N 1 2 345.244 3.913 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000879746525 1137757564 /nfs/dbraw/zinc/75/75/64/1137757564.db2.gz ACYVGHWVSSGROW-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000879746525 1137757565 /nfs/dbraw/zinc/75/75/65/1137757565.db2.gz ACYVGHWVSSGROW-KRWDZBQOSA-N 1 2 339.468 3.584 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000879762223 1137758283 /nfs/dbraw/zinc/75/82/83/1137758283.db2.gz DGXOZVGVFAOARB-GHTZIAJQSA-N 1 2 339.483 3.662 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000880002523 1137764672 /nfs/dbraw/zinc/76/46/72/1137764672.db2.gz ZRRLRDYOKYMIQK-CQSZACIVSA-N 1 2 332.391 3.621 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000880002523 1137764673 /nfs/dbraw/zinc/76/46/73/1137764673.db2.gz ZRRLRDYOKYMIQK-CQSZACIVSA-N 1 2 332.391 3.621 20 0 EHADLO C=Cc1ccccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000880214486 1137771140 /nfs/dbraw/zinc/77/11/40/1137771140.db2.gz IDBNQKCKZVXLIG-UHFFFAOYSA-N 1 2 327.453 3.741 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](CF)C1 ZINC000880292663 1137773759 /nfs/dbraw/zinc/77/37/59/1137773759.db2.gz SZICZXGZGGUXCL-UTUOFQBUSA-N 1 2 349.475 3.874 20 0 EHADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](CF)C1 ZINC000880292663 1137773760 /nfs/dbraw/zinc/77/37/60/1137773760.db2.gz SZICZXGZGGUXCL-UTUOFQBUSA-N 1 2 349.475 3.874 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323006 1137775416 /nfs/dbraw/zinc/77/54/16/1137775416.db2.gz MUMNPLMUYFEPMJ-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323006 1137775417 /nfs/dbraw/zinc/77/54/17/1137775417.db2.gz MUMNPLMUYFEPMJ-QWHCGFSZSA-N 1 2 349.887 3.921 20 0 EHADLO FC(F)Cn1ccnc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388495 1137777680 /nfs/dbraw/zinc/77/76/80/1137777680.db2.gz KRNSRYAIQZZGRU-OAHLLOKOSA-N 1 2 337.439 3.828 20 0 EHADLO FC(F)Cn1ccnc1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388495 1137777681 /nfs/dbraw/zinc/77/76/81/1137777681.db2.gz KRNSRYAIQZZGRU-OAHLLOKOSA-N 1 2 337.439 3.828 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000880685395 1137784324 /nfs/dbraw/zinc/78/43/24/1137784324.db2.gz DMWARCAOKYQXLP-JTQLQIEISA-N 1 2 338.333 3.898 20 0 EHADLO COCc1nc(C[N@@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)cs1 ZINC000626135006 1137790030 /nfs/dbraw/zinc/79/00/30/1137790030.db2.gz RNKBEUVIZLSXMX-RDTXWAMCSA-N 1 2 346.496 3.814 20 0 EHADLO COCc1nc(C[N@H+]([C@H](C)COC)[C@@H]2CCc3ccccc32)cs1 ZINC000626135006 1137790031 /nfs/dbraw/zinc/79/00/31/1137790031.db2.gz RNKBEUVIZLSXMX-RDTXWAMCSA-N 1 2 346.496 3.814 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135082 1137790081 /nfs/dbraw/zinc/79/00/81/1137790081.db2.gz SJNIIVJASQJPPD-PBHICJAKSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135082 1137790082 /nfs/dbraw/zinc/79/00/82/1137790082.db2.gz SJNIIVJASQJPPD-PBHICJAKSA-N 1 2 343.471 3.892 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137162870 1137799753 /nfs/dbraw/zinc/79/97/53/1137799753.db2.gz MSOKIULLCWLWRR-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137162870 1137799754 /nfs/dbraw/zinc/79/97/54/1137799754.db2.gz MSOKIULLCWLWRR-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000888903749 1137819729 /nfs/dbraw/zinc/81/97/29/1137819729.db2.gz COFQHVSUTPWEPW-IPMKNSEASA-N 1 2 337.467 3.678 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000888904482 1137820748 /nfs/dbraw/zinc/82/07/48/1137820748.db2.gz MLQNJFJUPAFUOC-RBUKOAKNSA-N 1 2 325.456 3.896 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)c(O)c(F)c1 ZINC000882949851 1137839410 /nfs/dbraw/zinc/83/94/10/1137839410.db2.gz JZMFBEDLQPEZGZ-UHFFFAOYSA-N 1 2 346.377 3.909 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000130673561 1137840655 /nfs/dbraw/zinc/84/06/55/1137840655.db2.gz YVRDVBNEHNEDPT-HNNXBMFYSA-N 1 2 345.516 3.871 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccn2)n(C)c1=S ZINC000130673561 1137840656 /nfs/dbraw/zinc/84/06/56/1137840656.db2.gz YVRDVBNEHNEDPT-HNNXBMFYSA-N 1 2 345.516 3.871 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC3CCC4(COC4)CC3)c21 ZINC000882994644 1137840851 /nfs/dbraw/zinc/84/08/51/1137840851.db2.gz NVEFHZXLVVPDRC-UHFFFAOYSA-N 1 2 326.375 3.621 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cn(C)nc1Cl ZINC000883258855 1137851000 /nfs/dbraw/zinc/85/10/00/1137851000.db2.gz RJPRUHPHIZDBBJ-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC[C@@H]1F)OCO2 ZINC000883382942 1137858602 /nfs/dbraw/zinc/85/86/02/1137858602.db2.gz QMDLKRQSSHMMRR-HNAYVOBHSA-N 1 2 329.371 3.539 20 0 EHADLO CSCc1cnc(CN[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397342 1137859657 /nfs/dbraw/zinc/85/96/57/1137859657.db2.gz KAWMBRJBEKKEJA-INIZCTEOSA-N 1 2 344.509 3.734 20 0 EHADLO C[C@H]1CC[C@@H](CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000131912357 1137861269 /nfs/dbraw/zinc/86/12/69/1137861269.db2.gz SIGHYEXQEBYEPW-DLBZAZTESA-N 1 2 343.515 3.664 20 0 EHADLO Cc1ccc2c(Nc3ncc(CO)cc3Br)cccc2[nH+]1 ZINC001212796263 1137866994 /nfs/dbraw/zinc/86/69/94/1137866994.db2.gz VZTGDVFUJWJLMA-UHFFFAOYSA-N 1 2 344.212 3.937 20 0 EHADLO COc1ccc(NC(=O)C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000626178327 1137867342 /nfs/dbraw/zinc/86/73/42/1137867342.db2.gz QBJUKSPKXRUDDS-UHFFFAOYSA-N 1 2 346.377 3.581 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000103483996 1137876520 /nfs/dbraw/zinc/87/65/20/1137876520.db2.gz XBHKZPZZINWJHL-UHFFFAOYSA-N 1 2 335.451 3.965 20 0 EHADLO C[C@@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)c1ccccn1 ZINC000282857690 1137886129 /nfs/dbraw/zinc/88/61/29/1137886129.db2.gz WYBWLYRFUAHBTK-YMTOWFKASA-N 1 2 337.192 3.768 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000348262938 1137886559 /nfs/dbraw/zinc/88/65/59/1137886559.db2.gz UAVVRUCBULUYQR-ZLGUVYLKSA-N 1 2 345.446 3.597 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc(OC)c1O ZINC000348286222 1137898528 /nfs/dbraw/zinc/89/85/28/1137898528.db2.gz XKGWZQWIWVYKFV-IBGZPJMESA-N 1 2 349.377 3.619 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc(OC)c1O ZINC000348286222 1137898529 /nfs/dbraw/zinc/89/85/29/1137898529.db2.gz XKGWZQWIWVYKFV-IBGZPJMESA-N 1 2 349.377 3.619 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000111375568 1137904410 /nfs/dbraw/zinc/90/44/10/1137904410.db2.gz ODLSAMHCLPGTLL-NEPJUHHUSA-N 1 2 335.448 3.831 20 0 EHADLO COCC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000112353256 1137907248 /nfs/dbraw/zinc/90/72/48/1137907248.db2.gz WVVLGGZMVIROQH-LLVKDONJSA-N 1 2 345.270 3.679 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000114805159 1137919005 /nfs/dbraw/zinc/91/90/05/1137919005.db2.gz RJOQLTWMSYQSFO-INIZCTEOSA-N 1 2 338.455 3.555 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2)cs1 ZINC000348306361 1137925249 /nfs/dbraw/zinc/92/52/49/1137925249.db2.gz DLJKNPUAXYCQGB-KBPBESRZSA-N 1 2 331.485 3.576 20 0 EHADLO Cc1ccc(OC2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000116883014 1137928053 /nfs/dbraw/zinc/92/80/53/1137928053.db2.gz LJJRGUPTXKSFPG-CQSZACIVSA-N 1 2 327.428 3.860 20 0 EHADLO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2cnn(C)c2)c2ccccc2)cc1 ZINC000348309618 1137932134 /nfs/dbraw/zinc/93/21/34/1137932134.db2.gz MUGYNKPYHYSZJM-OXJNMPFZSA-N 1 2 348.450 3.759 20 0 EHADLO CCc1ccc2c(C[NH2+]C(C)(C)c3nccs3)cc(=O)oc2c1 ZINC000118847647 1137935928 /nfs/dbraw/zinc/93/59/28/1137935928.db2.gz BSJXWBWMUHHVAA-UHFFFAOYSA-N 1 2 328.437 3.837 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ncc(Br)cn1 ZINC000332289431 1137938551 /nfs/dbraw/zinc/93/85/51/1137938551.db2.gz DGLNDHUIDIYAKA-HZMBPMFUSA-N 1 2 348.244 3.673 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](CCc3cccc(Cl)c3Cl)C2)O1 ZINC000332410761 1137943123 /nfs/dbraw/zinc/94/31/23/1137943123.db2.gz JTGJZQKARCPTME-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](CCc3cccc(Cl)c3Cl)C2)O1 ZINC000332410761 1137943124 /nfs/dbraw/zinc/94/31/24/1137943124.db2.gz JTGJZQKARCPTME-NSHDSACASA-N 1 2 342.226 3.504 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000119980575 1137945749 /nfs/dbraw/zinc/94/57/49/1137945749.db2.gz JJVFBQJEGTWJQN-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000119980575 1137945750 /nfs/dbraw/zinc/94/57/50/1137945750.db2.gz JJVFBQJEGTWJQN-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000332585738 1137947963 /nfs/dbraw/zinc/94/79/63/1137947963.db2.gz JVBHVDITHRWAGC-DOXZYTNZSA-N 1 2 343.471 3.549 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120311167 1137948433 /nfs/dbraw/zinc/94/84/33/1137948433.db2.gz WPKQTMFDCADSGT-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120311167 1137948434 /nfs/dbraw/zinc/94/84/34/1137948434.db2.gz WPKQTMFDCADSGT-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c(C)[nH+]1 ZINC000333189194 1137957703 /nfs/dbraw/zinc/95/77/03/1137957703.db2.gz NREVNDFXXFQMTR-BBRMVZONSA-N 1 2 325.412 3.693 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333199050 1137957955 /nfs/dbraw/zinc/95/79/55/1137957955.db2.gz YGEXJIKXTOWJOX-SUMDDJOVSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333199050 1137957956 /nfs/dbraw/zinc/95/79/56/1137957956.db2.gz YGEXJIKXTOWJOX-SUMDDJOVSA-N 1 2 347.503 3.593 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884482008 1137961065 /nfs/dbraw/zinc/96/10/65/1137961065.db2.gz VDEHMTCFHBMYKQ-GJZGRUSLSA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884482008 1137961066 /nfs/dbraw/zinc/96/10/66/1137961066.db2.gz VDEHMTCFHBMYKQ-GJZGRUSLSA-N 1 2 347.509 3.799 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H](O)c1ccccc1 ZINC000215875660 1137964432 /nfs/dbraw/zinc/96/44/32/1137964432.db2.gz TYHAHPZEOWONQV-GOSISDBHSA-N 1 2 336.391 3.557 20 0 EHADLO Cc1ccc2nc(CN3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)ccc2c1 ZINC001137217466 1137988268 /nfs/dbraw/zinc/98/82/68/1137988268.db2.gz ZKVAKPQTTZHSHK-QHCPKHFHSA-N 1 2 343.474 3.958 20 0 EHADLO Cc1ccc2nc(CN3CC[N@H+]4CCc5ccccc5[C@@H]4C3)ccc2c1 ZINC001137217466 1137988270 /nfs/dbraw/zinc/98/82/70/1137988270.db2.gz ZKVAKPQTTZHSHK-QHCPKHFHSA-N 1 2 343.474 3.958 20 0 EHADLO CN(Cc1cc2ccccc2o1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001137218299 1137998975 /nfs/dbraw/zinc/99/89/75/1137998975.db2.gz UZJDMLBJFOFSML-UHFFFAOYSA-N 1 2 347.374 3.596 20 0 EHADLO Cc1coc(C[NH2+][C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC000886173535 1138055511 /nfs/dbraw/zinc/05/55/11/1138055511.db2.gz RQTGBZMFAQAJJF-INIZCTEOSA-N 1 2 326.362 3.999 20 0 EHADLO CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000056664776 1138058508 /nfs/dbraw/zinc/05/85/08/1138058508.db2.gz OEJKQFYRQOXJMW-HUUCEWRRSA-N 1 2 340.427 3.811 20 0 EHADLO CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCCC1 ZINC000890266427 1138070630 /nfs/dbraw/zinc/07/06/30/1138070630.db2.gz PONMNJQMWITJRD-IBGZPJMESA-N 1 2 340.471 3.989 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000886431668 1138076015 /nfs/dbraw/zinc/07/60/15/1138076015.db2.gz DBFMSDLHVAENOH-QGZVFWFLSA-N 1 2 345.393 3.905 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000886431668 1138076017 /nfs/dbraw/zinc/07/60/17/1138076017.db2.gz DBFMSDLHVAENOH-QGZVFWFLSA-N 1 2 345.393 3.905 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC000886617820 1138102848 /nfs/dbraw/zinc/10/28/48/1138102848.db2.gz ZWEKACUTMYQWRZ-LRDDRELGSA-N 1 2 340.393 3.655 20 0 EHADLO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC000886617820 1138102849 /nfs/dbraw/zinc/10/28/49/1138102849.db2.gz ZWEKACUTMYQWRZ-LRDDRELGSA-N 1 2 340.393 3.655 20 0 EHADLO CC[C@](C)([NH2+]CC(=O)Nc1nc2ccccc2s1)c1nccs1 ZINC000072683023 1138107357 /nfs/dbraw/zinc/10/73/57/1138107357.db2.gz OYFCCBMJHQTOAQ-INIZCTEOSA-N 1 2 346.481 3.606 20 0 EHADLO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)OC)CC3)cs2)cc1 ZINC000072801946 1138107739 /nfs/dbraw/zinc/10/77/39/1138107739.db2.gz RHUUCXFFPKEDSN-UHFFFAOYSA-N 1 2 344.480 3.758 20 0 EHADLO Cc1ccc(-c2cnc(C[NH+]3CCC(C(=O)OC(C)C)CC3)o2)cc1 ZINC000886723532 1138125865 /nfs/dbraw/zinc/12/58/65/1138125865.db2.gz BXORZVWBUNLIOA-UHFFFAOYSA-N 1 2 342.439 3.814 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000075595943 1138128763 /nfs/dbraw/zinc/12/87/63/1138128763.db2.gz SEMCXVONQRIBEB-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000076347559 1138130933 /nfs/dbraw/zinc/13/09/33/1138130933.db2.gz PHLLRBJVMKUIAO-QGZVFWFLSA-N 1 2 340.423 3.528 20 0 EHADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000076347559 1138130935 /nfs/dbraw/zinc/13/09/35/1138130935.db2.gz PHLLRBJVMKUIAO-QGZVFWFLSA-N 1 2 340.423 3.528 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H]2c2cccn2C)n1 ZINC000079395873 1138155904 /nfs/dbraw/zinc/15/59/04/1138155904.db2.gz VSUJNTDUHUXNFH-SFHVURJKSA-N 1 2 336.439 3.644 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H]2c2cccn2C)n1 ZINC000079395873 1138155908 /nfs/dbraw/zinc/15/59/08/1138155908.db2.gz VSUJNTDUHUXNFH-SFHVURJKSA-N 1 2 336.439 3.644 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137231961 1138181413 /nfs/dbraw/zinc/18/14/13/1138181413.db2.gz YVANHVPYSCERNL-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137231961 1138181414 /nfs/dbraw/zinc/18/14/14/1138181414.db2.gz YVANHVPYSCERNL-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000091800823 1138221942 /nfs/dbraw/zinc/22/19/42/1138221942.db2.gz VZKUPWNBXXWCOS-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@@H]1COCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000091800823 1138221944 /nfs/dbraw/zinc/22/19/44/1138221944.db2.gz VZKUPWNBXXWCOS-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000093768999 1138240677 /nfs/dbraw/zinc/24/06/77/1138240677.db2.gz JKNMIPKHNLMMSO-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000093768999 1138240679 /nfs/dbraw/zinc/24/06/79/1138240679.db2.gz JKNMIPKHNLMMSO-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2cccc(OCCCOC)c2)s1 ZINC000093807758 1138241301 /nfs/dbraw/zinc/24/13/01/1138241301.db2.gz ARKJYZGGHBQNCP-UHFFFAOYSA-N 1 2 334.485 3.753 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2cccc(OCCCOC)c2)s1 ZINC000093807758 1138241302 /nfs/dbraw/zinc/24/13/02/1138241302.db2.gz ARKJYZGGHBQNCP-UHFFFAOYSA-N 1 2 334.485 3.753 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C[C@H]1n1cc[nH+]c1 ZINC000124253361 1138282039 /nfs/dbraw/zinc/28/20/39/1138282039.db2.gz PUDQFFYHIKWARA-GDBMZVCRSA-N 1 2 343.496 3.937 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000124751247 1138293934 /nfs/dbraw/zinc/29/39/34/1138293934.db2.gz UDWUQGRKOJUHLU-UZLBHIALSA-N 1 2 333.435 3.689 20 0 EHADLO c1cc2c(cc1-c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000333711065 1138323367 /nfs/dbraw/zinc/32/33/67/1138323367.db2.gz MDIDPMXASJROHQ-ZWKOTPCHSA-N 1 2 339.439 3.541 20 0 EHADLO c1cc2c(cc1-c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000333711065 1138323372 /nfs/dbraw/zinc/32/33/72/1138323372.db2.gz MDIDPMXASJROHQ-ZWKOTPCHSA-N 1 2 339.439 3.541 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000126367899 1138329862 /nfs/dbraw/zinc/32/98/62/1138329862.db2.gz YFJLCGXPAGDXBW-LMFNFFQTSA-N 1 2 346.434 3.554 20 0 EHADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127527793 1138361292 /nfs/dbraw/zinc/36/12/92/1138361292.db2.gz KDGZAARWSUUTBU-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127527793 1138361295 /nfs/dbraw/zinc/36/12/95/1138361295.db2.gz KDGZAARWSUUTBU-LBPRGKRZSA-N 1 2 337.345 3.732 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000263793585 1138367457 /nfs/dbraw/zinc/36/74/57/1138367457.db2.gz KHJIRFGHTIQCBJ-UHFFFAOYSA-N 1 2 327.359 3.554 20 0 EHADLO c1ccc(CC[N@H+](Cc2nnc3n2CCCC3)Cc2ccccc2)cc1 ZINC000263797405 1138368793 /nfs/dbraw/zinc/36/87/93/1138368793.db2.gz PHRUDGHWPAKBEZ-UHFFFAOYSA-N 1 2 346.478 3.859 20 0 EHADLO c1ccc(CC[N@@H+](Cc2nnc3n2CCCC3)Cc2ccccc2)cc1 ZINC000263797405 1138368797 /nfs/dbraw/zinc/36/87/97/1138368797.db2.gz PHRUDGHWPAKBEZ-UHFFFAOYSA-N 1 2 346.478 3.859 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000127830077 1138372670 /nfs/dbraw/zinc/37/26/70/1138372670.db2.gz ARONZQJPWNTWLA-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000127830077 1138372672 /nfs/dbraw/zinc/37/26/72/1138372672.db2.gz ARONZQJPWNTWLA-CYBMUJFWSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127983976 1138376788 /nfs/dbraw/zinc/37/67/88/1138376788.db2.gz HLESXYORIMTFKP-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127983976 1138376792 /nfs/dbraw/zinc/37/67/92/1138376792.db2.gz HLESXYORIMTFKP-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000263909635 1138390622 /nfs/dbraw/zinc/39/06/22/1138390622.db2.gz BHKVPWNKQJYQFP-ZDUSSCGKSA-N 1 2 329.831 3.501 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263935873 1138394756 /nfs/dbraw/zinc/39/47/56/1138394756.db2.gz FXWTWIJGNYLOSQ-SFHVURJKSA-N 1 2 325.456 3.872 20 0 EHADLO CCOc1cc(C)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128736191 1138396657 /nfs/dbraw/zinc/39/66/57/1138396657.db2.gz UYDILNMIIYYTED-NVXWUHKLSA-N 1 2 342.443 3.705 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000263950648 1138396964 /nfs/dbraw/zinc/39/69/64/1138396964.db2.gz OZKFQQWHGXQQBF-OAHLLOKOSA-N 1 2 329.469 3.525 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000336872439 1138418977 /nfs/dbraw/zinc/41/89/77/1138418977.db2.gz PNGKIWAURHYEQS-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000336872439 1138418979 /nfs/dbraw/zinc/41/89/79/1138418979.db2.gz PNGKIWAURHYEQS-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cccc(F)c2F)c1)[NH+]1CCOCC1 ZINC000264242124 1138452288 /nfs/dbraw/zinc/45/22/88/1138452288.db2.gz NHIOKKJSQZQDMR-ZDUSSCGKSA-N 1 2 346.377 3.610 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000130506867 1138458912 /nfs/dbraw/zinc/45/89/12/1138458912.db2.gz NPGOLJAYHCCTCE-INIZCTEOSA-N 1 2 346.862 3.764 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000130506867 1138458915 /nfs/dbraw/zinc/45/89/15/1138458915.db2.gz NPGOLJAYHCCTCE-INIZCTEOSA-N 1 2 346.862 3.764 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264267932 1138459596 /nfs/dbraw/zinc/45/95/96/1138459596.db2.gz UDJHSEOQIUUUDD-HRCADAONSA-N 1 2 333.476 3.636 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000337141370 1138477157 /nfs/dbraw/zinc/47/71/57/1138477157.db2.gz VNVMOQRKXJWCEP-INIZCTEOSA-N 1 2 335.382 3.641 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000337171970 1138485356 /nfs/dbraw/zinc/48/53/56/1138485356.db2.gz GHDDICJOSMIYTC-ROUUACIJSA-N 1 2 344.480 3.865 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000337171970 1138485357 /nfs/dbraw/zinc/48/53/57/1138485357.db2.gz GHDDICJOSMIYTC-ROUUACIJSA-N 1 2 344.480 3.865 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000337192447 1138491311 /nfs/dbraw/zinc/49/13/11/1138491311.db2.gz UALRVAPJSCVKAA-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000337192447 1138491312 /nfs/dbraw/zinc/49/13/12/1138491312.db2.gz UALRVAPJSCVKAA-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000337192448 1138491406 /nfs/dbraw/zinc/49/14/06/1138491406.db2.gz UALRVAPJSCVKAA-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000337192448 1138491407 /nfs/dbraw/zinc/49/14/07/1138491407.db2.gz UALRVAPJSCVKAA-MGPUTAFESA-N 1 2 336.414 3.990 20 0 EHADLO C(=C\[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205910 1138495083 /nfs/dbraw/zinc/49/50/83/1138495083.db2.gz LMNRGEQWRWEAAN-FNDLEWIFSA-N 1 2 330.435 3.945 20 0 EHADLO C(=C\[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)\c1ccccc1 ZINC000337205910 1138495086 /nfs/dbraw/zinc/49/50/86/1138495086.db2.gz LMNRGEQWRWEAAN-FNDLEWIFSA-N 1 2 330.435 3.945 20 0 EHADLO Cc1ccccc1[C@]1(F)CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000337328529 1138534942 /nfs/dbraw/zinc/53/49/42/1138534942.db2.gz RKSPJIBWFSJDSB-NRFANRHFSA-N 1 2 349.409 3.892 20 0 EHADLO Cc1oc(-c2cccs2)nc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000337344358 1138539423 /nfs/dbraw/zinc/53/94/23/1138539423.db2.gz TXWQYKPKMCZTFJ-UHFFFAOYSA-N 1 2 343.452 3.622 20 0 EHADLO Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000132081098 1138560523 /nfs/dbraw/zinc/56/05/23/1138560523.db2.gz BXYZRJRKLQERIB-NSHDSACASA-N 1 2 342.374 3.749 20 0 EHADLO O=C(C[C@@H]1CCCc2ccccc21)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264574307 1138563919 /nfs/dbraw/zinc/56/39/19/1138563919.db2.gz VFWMGSSDXUMBHK-IBGZPJMESA-N 1 2 349.478 3.808 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000337435380 1138568423 /nfs/dbraw/zinc/56/84/23/1138568423.db2.gz CIKQMTKEUJVDCT-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000337435380 1138568424 /nfs/dbraw/zinc/56/84/24/1138568424.db2.gz CIKQMTKEUJVDCT-FQEVSTJZSA-N 1 2 338.426 3.512 20 0 EHADLO CC1(C)CCC(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000337453477 1138573816 /nfs/dbraw/zinc/57/38/16/1138573816.db2.gz OJQBZZFWPHKOKM-UHFFFAOYSA-N 1 2 344.499 3.643 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)Cc1cccnc1 ZINC000132444173 1138581398 /nfs/dbraw/zinc/58/13/98/1138581398.db2.gz FQPBDNGCUURCEA-LSDHHAIUSA-N 1 2 337.423 3.526 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)Cc1cccnc1 ZINC000132444173 1138581401 /nfs/dbraw/zinc/58/14/01/1138581401.db2.gz FQPBDNGCUURCEA-LSDHHAIUSA-N 1 2 337.423 3.526 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337500402 1138587416 /nfs/dbraw/zinc/58/74/16/1138587416.db2.gz LJZMBMTUBSZPLS-ASOLHLAKSA-N 1 2 345.430 3.952 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337500402 1138587417 /nfs/dbraw/zinc/58/74/17/1138587417.db2.gz LJZMBMTUBSZPLS-ASOLHLAKSA-N 1 2 345.430 3.952 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCn1cc[nH+]c1 ZINC000337515348 1138592015 /nfs/dbraw/zinc/59/20/15/1138592015.db2.gz UQHBNRBQUFJENK-INIZCTEOSA-N 1 2 331.485 3.577 20 0 EHADLO CCCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264740812 1138623331 /nfs/dbraw/zinc/62/33/31/1138623331.db2.gz PIAIZXUAEGSBJU-CQSZACIVSA-N 1 2 328.416 3.610 20 0 EHADLO CCC(CC)(CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337664744 1138638135 /nfs/dbraw/zinc/63/81/35/1138638135.db2.gz VMCXNAAIOGBPBP-UHFFFAOYSA-N 1 2 333.863 3.801 20 0 EHADLO CSCCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264785754 1138639065 /nfs/dbraw/zinc/63/90/65/1138639065.db2.gz ZTZKPXFAZJMFIE-OAHLLOKOSA-N 1 2 344.484 3.727 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000348461545 1138670253 /nfs/dbraw/zinc/67/02/53/1138670253.db2.gz CVVYAUINWFJYTA-AWEZNQCLSA-N 1 2 339.464 3.912 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1Cl ZINC000338164690 1138771239 /nfs/dbraw/zinc/77/12/39/1138771239.db2.gz CRNOKBSTAPVTTE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1Cl ZINC000338164690 1138771241 /nfs/dbraw/zinc/77/12/41/1138771241.db2.gz CRNOKBSTAPVTTE-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000265269792 1138790157 /nfs/dbraw/zinc/79/01/57/1138790157.db2.gz LJOXAGNPGAFVBJ-CYBMUJFWSA-N 1 2 329.469 3.572 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000265269792 1138790161 /nfs/dbraw/zinc/79/01/61/1138790161.db2.gz LJOXAGNPGAFVBJ-CYBMUJFWSA-N 1 2 329.469 3.572 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338235035 1138796487 /nfs/dbraw/zinc/79/64/87/1138796487.db2.gz MRWGYTVQSABWLR-AWEZNQCLSA-N 1 2 332.423 3.635 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000338259852 1138804567 /nfs/dbraw/zinc/80/45/67/1138804567.db2.gz ZTQDDNAVRRYSGK-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO COc1ccc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)nc1 ZINC000338273255 1138810611 /nfs/dbraw/zinc/81/06/11/1138810611.db2.gz DWYLBRVOJAWGSX-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)nc1 ZINC000338273255 1138810619 /nfs/dbraw/zinc/81/06/19/1138810619.db2.gz DWYLBRVOJAWGSX-UHFFFAOYSA-N 1 2 333.435 3.996 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc2[nH+]1 ZINC000338340550 1138841349 /nfs/dbraw/zinc/84/13/49/1138841349.db2.gz UBFFJBYRKXFDSR-UHFFFAOYSA-N 1 2 326.400 3.728 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)s1 ZINC000338350256 1138847252 /nfs/dbraw/zinc/84/72/52/1138847252.db2.gz DYELHRHEARFJFP-SWLSCSKDSA-N 1 2 335.448 3.728 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)s1 ZINC000338350256 1138847261 /nfs/dbraw/zinc/84/72/61/1138847261.db2.gz DYELHRHEARFJFP-SWLSCSKDSA-N 1 2 335.448 3.728 20 0 EHADLO Cn1nccc1C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338364919 1138860278 /nfs/dbraw/zinc/86/02/78/1138860278.db2.gz ASGBKNVTCNBKHA-OAHLLOKOSA-N 1 2 327.325 3.510 20 0 EHADLO Cn1nccc1C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338364919 1138860286 /nfs/dbraw/zinc/86/02/86/1138860286.db2.gz ASGBKNVTCNBKHA-OAHLLOKOSA-N 1 2 327.325 3.510 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000338394566 1138885377 /nfs/dbraw/zinc/88/53/77/1138885377.db2.gz BPLFKOXJEOKNAZ-UHFFFAOYSA-N 1 2 331.419 3.612 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000338395251 1138887047 /nfs/dbraw/zinc/88/70/47/1138887047.db2.gz JPBYJVORTODJGB-NEWSRXKRSA-N 1 2 347.503 3.524 20 0 EHADLO CCOc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000338475605 1138932690 /nfs/dbraw/zinc/93/26/90/1138932690.db2.gz BDSMPWMXUZVLST-KRWDZBQOSA-N 1 2 333.863 3.526 20 0 EHADLO CC(C)(NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000338489840 1138939189 /nfs/dbraw/zinc/93/91/89/1138939189.db2.gz VFTRILWTCAJBQQ-UHFFFAOYSA-N 1 2 334.423 3.607 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000338502899 1138945392 /nfs/dbraw/zinc/94/53/92/1138945392.db2.gz QEHWXXSXZVJXNE-HZPDHXFCSA-N 1 2 341.455 3.504 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000348497816 1138952690 /nfs/dbraw/zinc/95/26/90/1138952690.db2.gz SGEUFGIUPCAZLQ-KBXCAEBGSA-N 1 2 343.496 3.678 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000142246379 1138959858 /nfs/dbraw/zinc/95/98/58/1138959858.db2.gz GWWGVFVIOZWOLY-AWEZNQCLSA-N 1 2 339.464 3.748 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000142249140 1138959897 /nfs/dbraw/zinc/95/98/97/1138959897.db2.gz ZXVBAPHEEGPVJK-AWEZNQCLSA-N 1 2 339.464 3.748 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151552943 1139042806 /nfs/dbraw/zinc/04/28/06/1139042806.db2.gz WWCUNTQAYZDZQK-XYJFISCASA-N 1 2 326.444 3.545 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccn2)CC1 ZINC000152087297 1139072170 /nfs/dbraw/zinc/07/21/70/1139072170.db2.gz GKJNUPUGNOPHRG-MRXNPFEDSA-N 1 2 334.423 3.620 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152582076 1139098776 /nfs/dbraw/zinc/09/87/76/1139098776.db2.gz SDWBWRDEEZUTMN-HXUWFJFHSA-N 1 2 345.446 3.563 20 0 EHADLO CSCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000153640693 1139145170 /nfs/dbraw/zinc/14/51/70/1139145170.db2.gz DSYBDDIBEVWUPZ-UHFFFAOYSA-N 1 2 348.541 3.708 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1)n1cc[nH+]c1 ZINC000889084648 1139163994 /nfs/dbraw/zinc/16/39/94/1139163994.db2.gz LHXRLRSJKKIULT-DDUZABMNSA-N 1 2 347.409 3.811 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137253049 1139189498 /nfs/dbraw/zinc/18/94/98/1139189498.db2.gz NQDDNJWPPMWCGC-CYBMUJFWSA-N 1 2 335.400 3.520 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137253049 1139189502 /nfs/dbraw/zinc/18/95/02/1139189502.db2.gz NQDDNJWPPMWCGC-CYBMUJFWSA-N 1 2 335.400 3.520 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H]2CCC[C@H]21 ZINC000889557010 1139233284 /nfs/dbraw/zinc/23/32/84/1139233284.db2.gz PQQGJYCGFYNEEW-BRSBDYLESA-N 1 2 342.487 3.779 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000930185167 1139277187 /nfs/dbraw/zinc/27/71/87/1139277187.db2.gz FPJGPLLRONCFOG-NSHDSACASA-N 1 2 327.350 3.607 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)NCc3[nH]c(C)c(C)[nH+]3)ccc2c1 ZINC001137260111 1139301219 /nfs/dbraw/zinc/30/12/19/1139301219.db2.gz ANDCKGUQQMEKCP-WEVVVXLNSA-N 1 2 335.407 3.518 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000826682790 1139315774 /nfs/dbraw/zinc/31/57/74/1139315774.db2.gz QBJMDCYMIGVFFO-AWEZNQCLSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000826682790 1139315783 /nfs/dbraw/zinc/31/57/83/1139315783.db2.gz QBJMDCYMIGVFFO-AWEZNQCLSA-N 1 2 340.370 3.683 20 0 EHADLO CN(C[C@@H]1CC=CCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255253 1139331583 /nfs/dbraw/zinc/33/15/83/1139331583.db2.gz PQUQHPJBIZPWEN-MJGOQNOKSA-N 1 2 338.455 3.622 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259569 1139333350 /nfs/dbraw/zinc/33/33/50/1139333350.db2.gz ZOZNVMNNOATXJP-KXBFYZLASA-N 1 2 338.455 3.597 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259568 1139333686 /nfs/dbraw/zinc/33/36/86/1139333686.db2.gz ZOZNVMNNOATXJP-HNAYVOBHSA-N 1 2 338.455 3.597 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc(N(CC)CC)s2)o1 ZINC000174476922 1139422011 /nfs/dbraw/zinc/42/20/11/1139422011.db2.gz GIRIMJKHIPKRQV-HNNXBMFYSA-N 1 2 337.489 3.622 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000174632371 1139432608 /nfs/dbraw/zinc/43/26/08/1139432608.db2.gz QHEHVJVSMALEGJ-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000174632371 1139432612 /nfs/dbraw/zinc/43/26/12/1139432612.db2.gz QHEHVJVSMALEGJ-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)c1 ZINC000174655002 1139433817 /nfs/dbraw/zinc/43/38/17/1139433817.db2.gz HHXWFXOCYVVEGT-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1nccs1 ZINC000175024458 1139458314 /nfs/dbraw/zinc/45/83/14/1139458314.db2.gz PVIKPQNWZAPVOT-DTWKUNHWSA-N 1 2 327.812 3.613 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccnc1Cl)c1ccccc1 ZINC000175156512 1139468346 /nfs/dbraw/zinc/46/83/46/1139468346.db2.gz IZGBTMZXGZJMRL-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1Cl)c1ccccc1 ZINC000175156512 1139468349 /nfs/dbraw/zinc/46/83/49/1139468349.db2.gz IZGBTMZXGZJMRL-KRWDZBQOSA-N 1 2 343.858 3.520 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175255842 1139476666 /nfs/dbraw/zinc/47/66/66/1139476666.db2.gz XVGXHBWXZSAHDR-CHWSQXEVSA-N 1 2 333.457 3.528 20 0 EHADLO C[C@@H]1CCN(C(=O)COc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000177491273 1139622829 /nfs/dbraw/zinc/62/28/29/1139622829.db2.gz OOOLIJCNXGDAIV-VQIMIIECSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H](c2ccco2)C1 ZINC000177777156 1139641090 /nfs/dbraw/zinc/64/10/90/1139641090.db2.gz JCRROFHJZQGTRA-GDBMZVCRSA-N 1 2 338.411 3.610 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000179382309 1139754428 /nfs/dbraw/zinc/75/44/28/1139754428.db2.gz CRLDXLZQNSZFPX-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000179382309 1139754431 /nfs/dbraw/zinc/75/44/31/1139754431.db2.gz CRLDXLZQNSZFPX-UHFFFAOYSA-N 1 2 328.384 3.694 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cs1 ZINC000179524754 1139762946 /nfs/dbraw/zinc/76/29/46/1139762946.db2.gz DRWBGNBDDKBHKW-GFCCVEGCSA-N 1 2 333.457 3.740 20 0 EHADLO Cc1cccc(C2=CC[N@H+](Cc3nc4ccccc4c(=O)n3C)CC2)c1 ZINC000179662385 1139772191 /nfs/dbraw/zinc/77/21/91/1139772191.db2.gz BYCDXIANRXHBTQ-UHFFFAOYSA-N 1 2 345.446 3.531 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](Cc3nc4ccccc4c(=O)n3C)CC2)c1 ZINC000179662385 1139772198 /nfs/dbraw/zinc/77/21/98/1139772198.db2.gz BYCDXIANRXHBTQ-UHFFFAOYSA-N 1 2 345.446 3.531 20 0 EHADLO CC1(C)[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000179902257 1139791200 /nfs/dbraw/zinc/79/12/00/1139791200.db2.gz UMXASUOSSNHTTR-KSZLIROESA-N 1 2 332.513 3.855 20 0 EHADLO FC(F)Oc1ccccc1[C@@H](NCCCn1cc[nH+]c1)C(F)(F)F ZINC000179903703 1139791255 /nfs/dbraw/zinc/79/12/55/1139791255.db2.gz QGWZTLXNUJTQMT-CYBMUJFWSA-N 1 2 349.303 3.768 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CCO1 ZINC000179950125 1139795142 /nfs/dbraw/zinc/79/51/42/1139795142.db2.gz WGMODGXVPVSQRJ-QLIIJSOBSA-N 1 2 342.483 3.671 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)CC(C)(C)O)n1 ZINC000180201214 1139817518 /nfs/dbraw/zinc/81/75/18/1139817518.db2.gz XSMGGALGCGVGEW-AWEZNQCLSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)n1 ZINC000180201214 1139817522 /nfs/dbraw/zinc/81/75/22/1139817522.db2.gz XSMGGALGCGVGEW-AWEZNQCLSA-N 1 2 349.500 3.657 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1 ZINC000180278480 1139824024 /nfs/dbraw/zinc/82/40/24/1139824024.db2.gz GUDYPYUZXBBHPK-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1 ZINC000180278480 1139824031 /nfs/dbraw/zinc/82/40/31/1139824031.db2.gz GUDYPYUZXBBHPK-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](Cc1nnc(SCCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000180431003 1139834373 /nfs/dbraw/zinc/83/43/73/1139834373.db2.gz WLACCVLRKQTASP-AWEZNQCLSA-N 1 2 328.441 3.795 20 0 EHADLO Cc1ccc(C)c(OCc2nnc(SCCCn3cc[nH+]c3)o2)c1 ZINC000180431084 1139834391 /nfs/dbraw/zinc/83/43/91/1139834391.db2.gz WZLKFSQCODYUMG-UHFFFAOYSA-N 1 2 344.440 3.644 20 0 EHADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)s1 ZINC000180538005 1139842459 /nfs/dbraw/zinc/84/24/59/1139842459.db2.gz XPAZSWDEBYNNSW-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)s1 ZINC000180538005 1139842468 /nfs/dbraw/zinc/84/24/68/1139842468.db2.gz XPAZSWDEBYNNSW-INIZCTEOSA-N 1 2 328.437 3.780 20 0 EHADLO CCCc1csc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000180640876 1139852791 /nfs/dbraw/zinc/85/27/91/1139852791.db2.gz KJXIXWRMCWSLTB-UHFFFAOYSA-N 1 2 348.472 3.780 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000181028699 1139880879 /nfs/dbraw/zinc/88/08/79/1139880879.db2.gz SEDNEOSPRWODLP-CYBMUJFWSA-N 1 2 342.830 3.759 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181119628 1139886577 /nfs/dbraw/zinc/88/65/77/1139886577.db2.gz CRYSIEWYCDBGBE-CVEARBPZSA-N 1 2 336.439 3.663 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181209607 1139892073 /nfs/dbraw/zinc/89/20/73/1139892073.db2.gz RQRLPQIIPGVIBM-JSGCOSHPSA-N 1 2 337.427 3.764 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181209607 1139892082 /nfs/dbraw/zinc/89/20/82/1139892082.db2.gz RQRLPQIIPGVIBM-JSGCOSHPSA-N 1 2 337.427 3.764 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC000181704080 1139926050 /nfs/dbraw/zinc/92/60/50/1139926050.db2.gz JCQHIMTVJSQXKA-MRXNPFEDSA-N 1 2 347.484 3.987 20 0 EHADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000183873233 1140063373 /nfs/dbraw/zinc/06/33/73/1140063373.db2.gz UIXIELGEPTYHSC-OLZOCXBDSA-N 1 2 331.416 3.508 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)n1 ZINC000184325195 1140095982 /nfs/dbraw/zinc/09/59/82/1140095982.db2.gz NBGLHNSZVHRKKM-GFCCVEGCSA-N 1 2 341.411 3.659 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000184593406 1140110841 /nfs/dbraw/zinc/11/08/41/1140110841.db2.gz UKBBGDZTJLVFBM-CYBMUJFWSA-N 1 2 337.439 3.960 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184876207 1140123785 /nfs/dbraw/zinc/12/37/85/1140123785.db2.gz AREGCFTXINBMEK-HNNXBMFYSA-N 1 2 341.455 3.689 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883780 1140124099 /nfs/dbraw/zinc/12/40/99/1140124099.db2.gz CEWVPCMOQLDUML-WBVHZDCISA-N 1 2 341.455 3.783 20 0 EHADLO CC[C@H](c1nnc(SCCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000185546017 1140154746 /nfs/dbraw/zinc/15/47/46/1140154746.db2.gz FFCPJDQXFYUFMP-HNNXBMFYSA-N 1 2 328.441 3.990 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187045764 1140234567 /nfs/dbraw/zinc/23/45/67/1140234567.db2.gz UTRFJHSSOMVVES-ZDUSSCGKSA-N 1 2 342.530 3.745 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187045764 1140234570 /nfs/dbraw/zinc/23/45/70/1140234570.db2.gz UTRFJHSSOMVVES-ZDUSSCGKSA-N 1 2 342.530 3.745 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1F ZINC000188479310 1140298034 /nfs/dbraw/zinc/29/80/34/1140298034.db2.gz VRUNPMXNEKCVNH-YGRLFVJLSA-N 1 2 342.208 3.956 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000188489010 1140298425 /nfs/dbraw/zinc/29/84/25/1140298425.db2.gz GAAMDACUQOJWPD-IBGZPJMESA-N 1 2 341.455 3.505 20 0 EHADLO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188760297 1140306963 /nfs/dbraw/zinc/30/69/63/1140306963.db2.gz FBKWMHGZDGDSTD-KBXCAEBGSA-N 1 2 339.439 3.640 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1SC(F)(F)F ZINC000188837347 1140310106 /nfs/dbraw/zinc/31/01/06/1140310106.db2.gz VIJYPZRVJXCBFX-UHFFFAOYSA-N 1 2 329.347 3.603 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)C(C)C ZINC000189673667 1140358483 /nfs/dbraw/zinc/35/84/83/1140358483.db2.gz GRTWVTPWQIMMOV-NVXWUHKLSA-N 1 2 342.491 3.930 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189801663 1140364308 /nfs/dbraw/zinc/36/43/08/1140364308.db2.gz FFFCTWSVGZFFDK-GJZGRUSLSA-N 1 2 343.475 3.989 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000189848660 1140368215 /nfs/dbraw/zinc/36/82/15/1140368215.db2.gz UFCGJITYFVRWEP-NVXWUHKLSA-N 1 2 343.452 3.614 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000189848660 1140368221 /nfs/dbraw/zinc/36/82/21/1140368221.db2.gz UFCGJITYFVRWEP-NVXWUHKLSA-N 1 2 343.452 3.614 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)c(F)c1 ZINC000190312569 1140399162 /nfs/dbraw/zinc/39/91/62/1140399162.db2.gz PZFNBEQAQVTAJU-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)c(F)c1 ZINC000190312569 1140399167 /nfs/dbraw/zinc/39/91/67/1140399167.db2.gz PZFNBEQAQVTAJU-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO CC(C)N(C)c1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000191521819 1140470447 /nfs/dbraw/zinc/47/04/47/1140470447.db2.gz LLVDEKGWEDDBKO-UHFFFAOYSA-N 1 2 325.460 3.534 20 0 EHADLO Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1Br ZINC000191539031 1140471282 /nfs/dbraw/zinc/47/12/82/1140471282.db2.gz QFSQMGINGGCEFX-HNNXBMFYSA-N 1 2 334.261 3.732 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)ccc1OC ZINC000191778667 1140484462 /nfs/dbraw/zinc/48/44/62/1140484462.db2.gz DZHBJNOVTMFBMS-UHFFFAOYSA-N 1 2 344.459 3.707 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(C)cc1C ZINC000192251488 1140514279 /nfs/dbraw/zinc/51/42/79/1140514279.db2.gz UEOIHDMLIUUECM-UHFFFAOYSA-N 1 2 341.499 3.934 20 0 EHADLO C[C@@H]1COCC[C@H]1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000195099670 1140630757 /nfs/dbraw/zinc/63/07/57/1140630757.db2.gz YYUDZQHZZHOLQS-RDTXWAMCSA-N 1 2 331.485 3.612 20 0 EHADLO C[C@@H]1COCC[C@H]1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000195099670 1140630759 /nfs/dbraw/zinc/63/07/59/1140630759.db2.gz YYUDZQHZZHOLQS-RDTXWAMCSA-N 1 2 331.485 3.612 20 0 EHADLO CCCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccc(C)c1 ZINC000195500246 1140639940 /nfs/dbraw/zinc/63/99/40/1140639940.db2.gz JYUFZRQBSBZFJU-UHFFFAOYSA-N 1 2 339.468 3.933 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cs1 ZINC000266131037 1140644940 /nfs/dbraw/zinc/64/49/40/1140644940.db2.gz CZHIHCIYLKSKEJ-UHFFFAOYSA-N 1 2 332.469 3.951 20 0 EHADLO Cc1c(Br)cccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266265172 1140661769 /nfs/dbraw/zinc/66/17/69/1140661769.db2.gz FXDIFELGGBWZIU-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C)CCCC1 ZINC000266451945 1140689031 /nfs/dbraw/zinc/68/90/31/1140689031.db2.gz XLIMGSGRZGRMSG-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000266495708 1140695022 /nfs/dbraw/zinc/69/50/22/1140695022.db2.gz RFMFLLIUADDJIG-APWZRJJASA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cccc(C)c1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000266609185 1140707452 /nfs/dbraw/zinc/70/74/52/1140707452.db2.gz BTAHAUBAOLPIMA-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cs1 ZINC000267041642 1140753307 /nfs/dbraw/zinc/75/33/07/1140753307.db2.gz ZEOBOELYEKUPAC-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cs1 ZINC000267041642 1140753311 /nfs/dbraw/zinc/75/33/11/1140753311.db2.gz ZEOBOELYEKUPAC-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267197083 1140766790 /nfs/dbraw/zinc/76/67/90/1140766790.db2.gz DIEKMLQJRDOZAF-UHFFFAOYSA-N 1 2 347.846 3.872 20 0 EHADLO CC(C)(C)Oc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267466396 1140795336 /nfs/dbraw/zinc/79/53/36/1140795336.db2.gz NMBSUZJXUBVVBU-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267585565 1140807151 /nfs/dbraw/zinc/80/71/51/1140807151.db2.gz OCOPOMQAWBWBCQ-UTKZUKDTSA-N 1 2 345.446 3.950 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)cs1 ZINC000267592749 1140807481 /nfs/dbraw/zinc/80/74/81/1140807481.db2.gz AXAMOKVEDDKTFC-CYBMUJFWSA-N 1 2 342.468 3.839 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cs1 ZINC000267656111 1140815941 /nfs/dbraw/zinc/81/59/41/1140815941.db2.gz VSUQDKCBJDCZJN-LBPRGKRZSA-N 1 2 328.441 3.530 20 0 EHADLO Cc1cn2cc(NC(=O)N(CCC(F)(F)F)CC3CC3)ccc2[nH+]1 ZINC000267760205 1140829383 /nfs/dbraw/zinc/82/93/83/1140829383.db2.gz JKVGEGMZARPMGS-UHFFFAOYSA-N 1 2 340.349 3.839 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C(C)(C)C)s2)c1 ZINC000268222035 1140904718 /nfs/dbraw/zinc/90/47/18/1140904718.db2.gz ROBVPHJIMUBXQC-UHFFFAOYSA-N 1 2 341.484 3.824 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)s1 ZINC000268219445 1140905336 /nfs/dbraw/zinc/90/53/36/1140905336.db2.gz QVWULPYONUTIQB-UHFFFAOYSA-N 1 2 345.447 3.655 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268614355 1140962798 /nfs/dbraw/zinc/96/27/98/1140962798.db2.gz WXTAXVJEDRFTJM-UHFFFAOYSA-N 1 2 340.402 3.595 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700492 1140972789 /nfs/dbraw/zinc/97/27/89/1140972789.db2.gz VCTPVPZCYHTMAT-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700492 1140972791 /nfs/dbraw/zinc/97/27/91/1140972791.db2.gz VCTPVPZCYHTMAT-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000268839216 1141005786 /nfs/dbraw/zinc/00/57/86/1141005786.db2.gz DZQBEDFZTVKVQR-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1nnc2n1CCCCC2 ZINC000268870322 1141014042 /nfs/dbraw/zinc/01/40/42/1141014042.db2.gz UEZZEPIGAWJSOK-HOCLYGCPSA-N 1 2 330.480 3.584 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nc(C)no3)s2)cc1 ZINC000268897931 1141019952 /nfs/dbraw/zinc/01/99/52/1141019952.db2.gz LQLRELSJTJQIQH-JTQLQIEISA-N 1 2 344.440 3.669 20 0 EHADLO COc1ccc(CCCCCC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000268968165 1141036777 /nfs/dbraw/zinc/03/67/77/1141036777.db2.gz BWXGENLHMQDCSM-UHFFFAOYSA-N 1 2 343.471 3.543 20 0 EHADLO Brc1csc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000269317394 1141092676 /nfs/dbraw/zinc/09/26/76/1141092676.db2.gz BUOWHWPEFQAFQI-UHFFFAOYSA-N 1 2 327.247 3.667 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@H](C)C2)cs1 ZINC000270091099 1141177723 /nfs/dbraw/zinc/17/77/23/1141177723.db2.gz BUZYOXZIBSEOHU-ZDUSSCGKSA-N 1 2 345.468 3.678 20 0 EHADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@H](C)C2)cs1 ZINC000270091099 1141177725 /nfs/dbraw/zinc/17/77/25/1141177725.db2.gz BUZYOXZIBSEOHU-ZDUSSCGKSA-N 1 2 345.468 3.678 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000270272676 1141200091 /nfs/dbraw/zinc/20/00/91/1141200091.db2.gz XZUNCDHZBKINPV-ZDUSSCGKSA-N 1 2 348.244 3.500 20 0 EHADLO CCc1nc2sccc2c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000270326894 1141206419 /nfs/dbraw/zinc/20/64/19/1141206419.db2.gz WLNQXGSEIWJVIG-OCCSQVGLSA-N 1 2 327.457 3.538 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000270783149 1141270035 /nfs/dbraw/zinc/27/00/35/1141270035.db2.gz PGJORRQWRGCVFC-UHFFFAOYSA-N 1 2 330.476 3.806 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000270783149 1141270039 /nfs/dbraw/zinc/27/00/39/1141270039.db2.gz PGJORRQWRGCVFC-UHFFFAOYSA-N 1 2 330.476 3.806 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)c(OC)c1 ZINC000271023915 1141295259 /nfs/dbraw/zinc/29/52/59/1141295259.db2.gz VMCLXDKZFIILLR-INIZCTEOSA-N 1 2 348.468 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)c(OC)c1 ZINC000271023915 1141295262 /nfs/dbraw/zinc/29/52/62/1141295262.db2.gz VMCLXDKZFIILLR-INIZCTEOSA-N 1 2 348.468 3.644 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(Br)o1 ZINC000271060494 1141302605 /nfs/dbraw/zinc/30/26/05/1141302605.db2.gz WWEFGOKLMSRFIZ-UHFFFAOYSA-N 1 2 340.246 3.692 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000271060494 1141302612 /nfs/dbraw/zinc/30/26/12/1141302612.db2.gz WWEFGOKLMSRFIZ-UHFFFAOYSA-N 1 2 340.246 3.692 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271289461 1141339640 /nfs/dbraw/zinc/33/96/40/1141339640.db2.gz FFKPFSAUKKDZIY-IAGOWNOFSA-N 1 2 346.434 3.594 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cs1 ZINC000271459303 1141373070 /nfs/dbraw/zinc/37/30/70/1141373070.db2.gz FYANAMLVTHBJPA-RNCFNFMXSA-N 1 2 341.274 3.598 20 0 EHADLO CCc1nc2c(s1)[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)CCC2 ZINC000271485309 1141378910 /nfs/dbraw/zinc/37/89/10/1141378910.db2.gz NZCCELJQLWMGSQ-GXTWGEPZSA-N 1 2 338.423 3.684 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(OC)cc3)n2)cc1 ZINC000271693965 1141419671 /nfs/dbraw/zinc/41/96/71/1141419671.db2.gz REZAYEDQAUFBCR-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274326723 1141497316 /nfs/dbraw/zinc/49/73/16/1141497316.db2.gz DUDRRNURQAEMEE-CQSZACIVSA-N 1 2 338.411 3.554 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)Nc1nc2ccccc2s1 ZINC000339116371 1141501664 /nfs/dbraw/zinc/50/16/64/1141501664.db2.gz MVCDWGIONIXEOL-UHFFFAOYSA-N 1 2 341.440 3.705 20 0 EHADLO Cc1cc(C)c(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000339137060 1141506900 /nfs/dbraw/zinc/50/69/00/1141506900.db2.gz QOCLBWALOGWUDZ-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000339139048 1141507182 /nfs/dbraw/zinc/50/71/82/1141507182.db2.gz BMIODTYLIZUNNC-ZDUSSCGKSA-N 1 2 334.407 3.684 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000339139048 1141507185 /nfs/dbraw/zinc/50/71/85/1141507185.db2.gz BMIODTYLIZUNNC-ZDUSSCGKSA-N 1 2 334.407 3.684 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000274456804 1141533983 /nfs/dbraw/zinc/53/39/83/1141533983.db2.gz FJGMZLMUHSBQPD-CYBMUJFWSA-N 1 2 335.835 3.534 20 0 EHADLO Fc1cc(Br)cc2c1CCCN2CCCn1cc[nH+]c1 ZINC000348842418 1141594480 /nfs/dbraw/zinc/59/44/80/1141594480.db2.gz HJDBSUOOHWHLNR-UHFFFAOYSA-N 1 2 338.224 3.628 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000098076396 219079288 /nfs/dbraw/zinc/07/92/88/219079288.db2.gz REYVOCNQXVEYQP-DYVFJYSZSA-N 1 2 343.496 3.899 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000098076396 219079290 /nfs/dbraw/zinc/07/92/90/219079290.db2.gz REYVOCNQXVEYQP-DYVFJYSZSA-N 1 2 343.496 3.899 20 0 EHADLO CC(C)c1nc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)cs1 ZINC000067871725 215236447 /nfs/dbraw/zinc/23/64/47/215236447.db2.gz LYSVPCKMFQIADI-UHFFFAOYSA-N 1 2 327.453 3.740 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)cs1 ZINC000067871725 215236451 /nfs/dbraw/zinc/23/64/51/215236451.db2.gz LYSVPCKMFQIADI-UHFFFAOYSA-N 1 2 327.453 3.740 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000078680915 217101574 /nfs/dbraw/zinc/10/15/74/217101574.db2.gz SSPAHEJQLXHJTH-AWEZNQCLSA-N 1 2 339.782 3.640 20 0 EHADLO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000078728087 217109627 /nfs/dbraw/zinc/10/96/27/217109627.db2.gz OEYBALBWHNAAHA-LBPRGKRZSA-N 1 2 346.254 3.538 20 0 EHADLO COC(=O)CC[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000078728087 217109631 /nfs/dbraw/zinc/10/96/31/217109631.db2.gz OEYBALBWHNAAHA-LBPRGKRZSA-N 1 2 346.254 3.538 20 0 EHADLO Cn1cc[nH+]c1CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000096969652 218907562 /nfs/dbraw/zinc/90/75/62/218907562.db2.gz HEWUEZRVDPPDAR-UHFFFAOYSA-N 1 2 340.814 3.938 20 0 EHADLO Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124854801 222487069 /nfs/dbraw/zinc/48/70/69/222487069.db2.gz WAKBMBSDQMUCTO-UHFFFAOYSA-N 1 2 334.419 3.815 20 0 EHADLO CCn1nc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1C1CC1 ZINC000530692950 477889539 /nfs/dbraw/zinc/88/95/39/477889539.db2.gz KAEHAVDSEGYMFX-UHFFFAOYSA-N 1 2 335.411 3.527 20 0 EHADLO Fc1cccc2nc(Nc3cccc(C[NH+]4CCOCC4)c3)oc21 ZINC000623903184 480512909 /nfs/dbraw/zinc/51/29/09/480512909.db2.gz ZZZQIGKRKGCIKE-UHFFFAOYSA-N 1 2 327.359 3.543 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(-c2cccs2)[nH]n1)n1cc[nH+]c1 ZINC000636032840 480767509 /nfs/dbraw/zinc/76/75/09/480767509.db2.gz JVZCKOLVOGTTGE-CYBMUJFWSA-N 1 2 329.429 3.561 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1csc(C)n1 ZINC000040443807 523500155 /nfs/dbraw/zinc/50/01/55/523500155.db2.gz VSGGFYVHACYITL-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cncnc3C(C)C)c2)[nH+]c1C ZINC000363379393 526593332 /nfs/dbraw/zinc/59/33/32/526593332.db2.gz PNVJSNOAIGIOEP-UHFFFAOYSA-N 1 2 335.411 3.859 20 0 EHADLO Fc1ccc2oc(N3CCC[C@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000275412155 564008828 /nfs/dbraw/zinc/00/88/28/564008828.db2.gz BQXLXPCWZHQYLZ-HNNXBMFYSA-N 1 2 326.375 3.910 20 0 EHADLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000286017983 568414974 /nfs/dbraw/zinc/41/49/74/568414974.db2.gz AQOBPIRPYQGEFB-DLBZAZTESA-N 1 2 343.427 3.657 20 0 EHADLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000286017983 568414976 /nfs/dbraw/zinc/41/49/76/568414976.db2.gz AQOBPIRPYQGEFB-DLBZAZTESA-N 1 2 343.427 3.657 20 0 EHADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@]2(CC=CCC2)C1 ZINC000819718470 599556713 /nfs/dbraw/zinc/55/67/13/599556713.db2.gz IODHTBASJJQAPB-FQEVSTJZSA-N 1 2 346.438 3.742 20 0 EHADLO CC[N@H+](C/C(Cl)=C/Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169701 606100805 /nfs/dbraw/zinc/10/08/05/606100805.db2.gz BCMVAKIYHKMIGW-GARZTLJTSA-N 1 2 326.231 3.569 20 0 EHADLO CC[N@@H+](C/C(Cl)=C/Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169701 606100809 /nfs/dbraw/zinc/10/08/09/606100809.db2.gz BCMVAKIYHKMIGW-GARZTLJTSA-N 1 2 326.231 3.569 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413605 606173449 /nfs/dbraw/zinc/17/34/49/606173449.db2.gz SLUKPOHNLBUDSD-NEPJUHHUSA-N 1 2 340.431 3.564 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824770837 608643375 /nfs/dbraw/zinc/64/33/75/608643375.db2.gz NBWPFVWDKYVBEA-LLVKDONJSA-N 1 2 345.809 3.852 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824770837 608643376 /nfs/dbraw/zinc/64/33/76/608643376.db2.gz NBWPFVWDKYVBEA-LLVKDONJSA-N 1 2 345.809 3.852 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2ccccc2)C(CC)CC)n1 ZINC000459394018 1032057984 /nfs/dbraw/zinc/05/79/84/1032057984.db2.gz NJAHBSTXTJHENF-MRXNPFEDSA-N 1 2 331.416 3.513 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nnnn2Cc2ccccc2)cc1C ZINC000620141481 1125482306 /nfs/dbraw/zinc/48/23/06/1125482306.db2.gz VBCPQBQXLDZIJY-HXUWFJFHSA-N 1 2 347.466 3.675 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nnnn2Cc2ccccc2)cc1C ZINC000620141481 1125482307 /nfs/dbraw/zinc/48/23/07/1125482307.db2.gz VBCPQBQXLDZIJY-HXUWFJFHSA-N 1 2 347.466 3.675 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+]3CC4(CCCC4)OC(C)(C)C3)o2)c(C)o1 ZINC000408432572 1014150069 /nfs/dbraw/zinc/15/00/69/1014150069.db2.gz GZKIEEHDDVLECC-UHFFFAOYSA-N 1 2 345.443 3.870 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+]3CC4(CCCC4)OC(C)(C)C3)o2)c(C)o1 ZINC000408432572 1014150076 /nfs/dbraw/zinc/15/00/76/1014150076.db2.gz GZKIEEHDDVLECC-UHFFFAOYSA-N 1 2 345.443 3.870 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000339342777 1014238779 /nfs/dbraw/zinc/23/87/79/1014238779.db2.gz IHBZZRFRVMDAMC-IBGZPJMESA-N 1 2 342.487 3.778 20 0 EHADLO COCC1(C)CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000537997567 1032088178 /nfs/dbraw/zinc/08/81/78/1032088178.db2.gz IIRBPKCUVCXIJJ-UHFFFAOYSA-N 1 2 345.270 3.680 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000683098069 1014295540 /nfs/dbraw/zinc/29/55/40/1014295540.db2.gz WDWMIRGZHKAEOH-UHFFFAOYSA-N 1 2 330.432 3.623 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000683098069 1014295550 /nfs/dbraw/zinc/29/55/50/1014295550.db2.gz WDWMIRGZHKAEOH-UHFFFAOYSA-N 1 2 330.432 3.623 20 0 EHADLO CC(C)C[C@H]([NH3+])c1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC000339388606 1014320921 /nfs/dbraw/zinc/32/09/21/1014320921.db2.gz GIJLTKVHJFLYMW-LBPRGKRZSA-N 1 2 331.807 3.826 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1nc(C(F)(F)F)cs1 ZINC000274608636 1014321110 /nfs/dbraw/zinc/32/11/10/1014321110.db2.gz MVUNELPBNZOCQM-VIFPVBQESA-N 1 2 344.358 3.784 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC(c4ccccc4F)CC3)ccn12 ZINC000654812407 1014430190 /nfs/dbraw/zinc/43/01/90/1014430190.db2.gz CAZPSTGIHUCYET-UHFFFAOYSA-N 1 2 337.398 3.802 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C(F)(F)F)o1 ZINC000274682633 1014531111 /nfs/dbraw/zinc/53/11/11/1014531111.db2.gz RSAIKGQUEZBYKL-GWCFXTLKSA-N 1 2 341.333 3.527 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccns1 ZINC000858578298 1014608195 /nfs/dbraw/zinc/60/81/95/1014608195.db2.gz UGWQACJNNIRTDQ-SFYZADRCSA-N 1 2 330.226 3.852 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccccc2C)c1C ZINC000528311604 1032097610 /nfs/dbraw/zinc/09/76/10/1032097610.db2.gz MSRBWTVXAIVZBE-HNNXBMFYSA-N 1 2 340.467 3.853 20 0 EHADLO Cc1cncc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000339545579 1014784382 /nfs/dbraw/zinc/78/43/82/1014784382.db2.gz AMDIIJNPUFNTMY-UHFFFAOYSA-N 1 2 340.814 3.800 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504619 1032105107 /nfs/dbraw/zinc/10/51/07/1032105107.db2.gz IURZQGVENAJBCD-KGLIPLIRSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182504619 1032105118 /nfs/dbraw/zinc/10/51/18/1032105118.db2.gz IURZQGVENAJBCD-KGLIPLIRSA-N 1 2 344.484 3.801 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728194312 1014940233 /nfs/dbraw/zinc/94/02/33/1014940233.db2.gz KCVYQMPCHXQRAO-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728194312 1014940242 /nfs/dbraw/zinc/94/02/42/1014940242.db2.gz KCVYQMPCHXQRAO-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCc4cc(F)ccc43)[nH]2)cc1 ZINC000538021993 1032108762 /nfs/dbraw/zinc/10/87/62/1032108762.db2.gz ZIWSMMSAIUTWOU-MRXNPFEDSA-N 1 2 326.350 3.527 20 0 EHADLO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459427234 1032112483 /nfs/dbraw/zinc/11/24/83/1032112483.db2.gz OMXOBYVMHFBJSB-CYBMUJFWSA-N 1 2 336.222 3.884 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCc3c(F)cccc3C2)cn1 ZINC000430245303 1015233017 /nfs/dbraw/zinc/23/30/17/1015233017.db2.gz RPTPIGYUPVEFAO-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCc3c(F)cccc3C2)cn1 ZINC000430245303 1015233023 /nfs/dbraw/zinc/23/30/23/1015233023.db2.gz RPTPIGYUPVEFAO-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3CCc3ccccc3)[nH+]c12 ZINC000624765751 1015236215 /nfs/dbraw/zinc/23/62/15/1015236215.db2.gz UTIOCGNUTICMNO-FQEVSTJZSA-N 1 2 347.462 3.809 20 0 EHADLO CCc1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798353 989365117 /nfs/dbraw/zinc/36/51/17/989365117.db2.gz BLHBMPURNZJGPH-JKSUJKDBSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798353 989365127 /nfs/dbraw/zinc/36/51/27/989365127.db2.gz BLHBMPURNZJGPH-JKSUJKDBSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798353 989365141 /nfs/dbraw/zinc/36/51/41/989365141.db2.gz BLHBMPURNZJGPH-JKSUJKDBSA-N 1 2 348.487 3.627 20 0 EHADLO CCc1oc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC001597798353 989365150 /nfs/dbraw/zinc/36/51/50/989365150.db2.gz BLHBMPURNZJGPH-JKSUJKDBSA-N 1 2 348.487 3.627 20 0 EHADLO CC(C)CCc1nc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cs1 ZINC000179611061 1015482859 /nfs/dbraw/zinc/48/28/59/1015482859.db2.gz XXWXZVDSOQZFMC-UHFFFAOYSA-N 1 2 339.549 3.762 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000154519919 1015519571 /nfs/dbraw/zinc/51/95/71/1015519571.db2.gz ZAMWODFLQIXYDN-LPHOPBHVSA-N 1 2 340.471 3.818 20 0 EHADLO COCc1nc(C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)no1 ZINC000182654801 1032119245 /nfs/dbraw/zinc/11/92/45/1032119245.db2.gz YZPSEDJHXMDGGG-QGZVFWFLSA-N 1 2 329.444 3.593 20 0 EHADLO COCc1nc(C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)no1 ZINC000182654801 1032119253 /nfs/dbraw/zinc/11/92/53/1032119253.db2.gz YZPSEDJHXMDGGG-QGZVFWFLSA-N 1 2 329.444 3.593 20 0 EHADLO Cc1cnc(NCc2c[nH+]c3c(C)cc(Br)cn23)s1 ZINC000351998523 1015599190 /nfs/dbraw/zinc/59/91/90/1015599190.db2.gz VSSPEZFTUYQOEP-UHFFFAOYSA-N 1 2 337.246 3.782 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)sc2c1 ZINC000339778012 1015673666 /nfs/dbraw/zinc/67/36/66/1015673666.db2.gz VRBCGVHTZSQETQ-AWEZNQCLSA-N 1 2 332.469 3.696 20 0 EHADLO COc1ccc2nc(C[N@H+]3CCOC[C@@H]3CC3CCC3)sc2c1 ZINC000339778012 1015673671 /nfs/dbraw/zinc/67/36/71/1015673671.db2.gz VRBCGVHTZSQETQ-AWEZNQCLSA-N 1 2 332.469 3.696 20 0 EHADLO CCCn1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000339795309 1015678664 /nfs/dbraw/zinc/67/86/64/1015678664.db2.gz NEKQGCRSWFGKPE-UHFFFAOYSA-N 1 2 333.439 3.820 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000339830332 1015712912 /nfs/dbraw/zinc/71/29/12/1015712912.db2.gz JMZGHBVBIHHMSX-UHFFFAOYSA-N 1 2 326.440 3.750 20 0 EHADLO C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000123616066 1015732239 /nfs/dbraw/zinc/73/22/39/1015732239.db2.gz WHDDCZIOBGUKCB-OAHLLOKOSA-N 1 2 327.428 3.939 20 0 EHADLO CC(C)n1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000179925923 1015759844 /nfs/dbraw/zinc/75/98/44/1015759844.db2.gz GTTSEHYJQIBLFP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CC(C)n1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cn1 ZINC000179925923 1015759848 /nfs/dbraw/zinc/75/98/48/1015759848.db2.gz GTTSEHYJQIBLFP-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2nccc(C)c2c1 ZINC000339904690 1015872307 /nfs/dbraw/zinc/87/23/07/1015872307.db2.gz GVSAPXHCEMWJGI-KRWDZBQOSA-N 1 2 347.418 3.540 20 0 EHADLO CCCn1c[nH+]cc1CNc1cccc(I)c1 ZINC000090204050 1015939503 /nfs/dbraw/zinc/93/95/03/1015939503.db2.gz AZTGXDDWWNVHIS-UHFFFAOYSA-N 1 2 341.196 3.510 20 0 EHADLO Cc1cnc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000339943393 1015998754 /nfs/dbraw/zinc/99/87/54/1015998754.db2.gz XUKOQZFHYVVDKV-UHFFFAOYSA-N 1 2 335.367 3.542 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000278722527 1032135491 /nfs/dbraw/zinc/13/54/91/1032135491.db2.gz RIBCQUYFRUKBGR-TZMCWYRMSA-N 1 2 346.397 3.550 20 0 EHADLO COCC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000048023648 1016046372 /nfs/dbraw/zinc/04/63/72/1016046372.db2.gz HGHJHHFYFGBIOZ-UHFFFAOYSA-N 1 2 336.888 3.998 20 0 EHADLO COCC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC000048023648 1016046384 /nfs/dbraw/zinc/04/63/84/1016046384.db2.gz HGHJHHFYFGBIOZ-UHFFFAOYSA-N 1 2 336.888 3.998 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000339958268 1016068216 /nfs/dbraw/zinc/06/82/16/1016068216.db2.gz FHNXUMVVSDZEFN-GOSISDBHSA-N 1 2 337.423 3.881 20 0 EHADLO COc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc(OC)c1O ZINC000339988940 1016101650 /nfs/dbraw/zinc/10/16/50/1016101650.db2.gz ZLYKZGOHIFNYLE-UHFFFAOYSA-N 1 2 349.377 3.852 20 0 EHADLO COc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc(OC)c1O ZINC000339988940 1016101659 /nfs/dbraw/zinc/10/16/59/1016101659.db2.gz ZLYKZGOHIFNYLE-UHFFFAOYSA-N 1 2 349.377 3.852 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnc2ccc(F)cc2c1 ZINC000340037580 1016154037 /nfs/dbraw/zinc/15/40/37/1016154037.db2.gz ATKGWOQRUVHOTG-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001204443954 1016315104 /nfs/dbraw/zinc/31/51/04/1016315104.db2.gz FHYKMRIAAFGTQU-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001204443954 1016315112 /nfs/dbraw/zinc/31/51/12/1016315112.db2.gz FHYKMRIAAFGTQU-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)cc3C)[nH+]c12 ZINC000120644252 1016349001 /nfs/dbraw/zinc/34/90/01/1016349001.db2.gz ZXCGNCBRBMAHJF-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO CN(C)c1cc(COc2cc(F)ccc2Br)cc[nH+]1 ZINC000762476537 1121319981 /nfs/dbraw/zinc/31/99/81/1121319981.db2.gz DYUCGYMLGAESSI-UHFFFAOYSA-N 1 2 325.181 3.628 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000181375722 1016411902 /nfs/dbraw/zinc/41/19/02/1016411902.db2.gz DYLKYPQNFDELDT-UONOGXRCSA-N 1 2 342.443 3.732 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000361382429 1016508939 /nfs/dbraw/zinc/50/89/39/1016508939.db2.gz VOXLOVZNCBHLFW-MRXNPFEDSA-N 1 2 327.827 3.669 20 0 EHADLO COCC1(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC000361382429 1016508960 /nfs/dbraw/zinc/50/89/60/1016508960.db2.gz VOXLOVZNCBHLFW-MRXNPFEDSA-N 1 2 327.827 3.669 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000510226538 1016527778 /nfs/dbraw/zinc/52/77/78/1016527778.db2.gz YVOQQTBQNLPKAP-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CN(C)c1cccc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000187966077 1016558367 /nfs/dbraw/zinc/55/83/67/1016558367.db2.gz TYNQZECJIUDEEU-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO COc1ccc2[nH+]c(N3CCC4(C[C@H](F)CO4)CC3)cc(C)c2c1 ZINC001167209213 1016587701 /nfs/dbraw/zinc/58/77/01/1016587701.db2.gz BWUXCGUTKKELLH-AWEZNQCLSA-N 1 2 330.403 3.649 20 0 EHADLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648357413 1016760565 /nfs/dbraw/zinc/76/05/65/1016760565.db2.gz YYIKNQMUFNVSCN-UHFFFAOYSA-N 1 2 349.862 3.562 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@@H](c3cccs3)c3nnc[nH]3)c[nH]c21 ZINC000340257901 1016807491 /nfs/dbraw/zinc/80/74/91/1016807491.db2.gz LANXMKNSGFVNBM-KRWDZBQOSA-N 1 2 337.452 3.578 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179076108 1016853601 /nfs/dbraw/zinc/85/36/01/1016853601.db2.gz LSFJICKPNDUODL-AWEZNQCLSA-N 1 2 326.415 3.773 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(F)c2)C[C@@H](C)O1 ZINC000046342153 1016857738 /nfs/dbraw/zinc/85/77/38/1016857738.db2.gz WSJUYHFAMHFCPB-HUUCEWRRSA-N 1 2 342.414 3.687 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000179076108 1016853608 /nfs/dbraw/zinc/85/36/08/1016853608.db2.gz LSFJICKPNDUODL-AWEZNQCLSA-N 1 2 326.415 3.773 20 0 EHADLO COc1cc([C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc2ccccc21 ZINC000890791753 1016864049 /nfs/dbraw/zinc/86/40/49/1016864049.db2.gz SACYHAFCGKLKPW-OAHLLOKOSA-N 1 2 337.423 3.703 20 0 EHADLO O=C(Nc1cccc(Cl)c1O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340319552 1016938963 /nfs/dbraw/zinc/93/89/63/1016938963.db2.gz OAVDGHNCYNUELI-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO CSc1ccccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376625095 1016956448 /nfs/dbraw/zinc/95/64/48/1016956448.db2.gz CTXCFXNFJVXHGJ-LBPRGKRZSA-N 1 2 329.469 3.999 20 0 EHADLO CSc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376625095 1016956457 /nfs/dbraw/zinc/95/64/57/1016956457.db2.gz CTXCFXNFJVXHGJ-LBPRGKRZSA-N 1 2 329.469 3.999 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000579906024 1016970567 /nfs/dbraw/zinc/97/05/67/1016970567.db2.gz VMSPWNIEIWOPED-QWHZDKJVSA-N 1 2 334.423 3.522 20 0 EHADLO CC1(C)CCC(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000340358139 1017026668 /nfs/dbraw/zinc/02/66/68/1017026668.db2.gz BTJXTGQDOLLETQ-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO Cc1ccc([C@@H](CC(F)(F)F)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001267612890 1017033489 /nfs/dbraw/zinc/03/34/89/1017033489.db2.gz BDBHMQSELLFSAY-UKRRQHHQSA-N 1 2 339.361 3.953 20 0 EHADLO FC(F)(F)c1nnc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000659819065 1017067030 /nfs/dbraw/zinc/06/70/30/1017067030.db2.gz CBMMPTHYXIALST-LBPRGKRZSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1nnc(C[N@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000659819065 1017067042 /nfs/dbraw/zinc/06/70/42/1017067042.db2.gz CBMMPTHYXIALST-LBPRGKRZSA-N 1 2 327.375 3.764 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000183022985 1032156830 /nfs/dbraw/zinc/15/68/30/1032156830.db2.gz SQGPZXPJDSCDIJ-NXEZZACHSA-N 1 2 345.321 3.526 20 0 EHADLO FC(F)[C@@H](Cc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000536700489 1032161258 /nfs/dbraw/zinc/16/12/58/1032161258.db2.gz VLAXDPNFAHHTDG-LJQANCHMSA-N 1 2 341.405 3.897 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CCCO1 ZINC000378778286 1017234374 /nfs/dbraw/zinc/23/43/74/1017234374.db2.gz GFRDYCAFORDOGN-HNNXBMFYSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCCO1 ZINC000378778286 1017234385 /nfs/dbraw/zinc/23/43/85/1017234385.db2.gz GFRDYCAFORDOGN-HNNXBMFYSA-N 1 2 330.241 3.835 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000584354334 1032185467 /nfs/dbraw/zinc/18/54/67/1032185467.db2.gz KJRWFQFCPBHRDO-KXBFYZLASA-N 1 2 329.419 3.597 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528380108 1032187448 /nfs/dbraw/zinc/18/74/48/1032187448.db2.gz JFMICBLDZRUSGD-QGZVFWFLSA-N 1 2 342.464 3.779 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528380108 1032187458 /nfs/dbraw/zinc/18/74/58/1032187458.db2.gz JFMICBLDZRUSGD-QGZVFWFLSA-N 1 2 342.464 3.779 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080765245 1032195261 /nfs/dbraw/zinc/19/52/61/1032195261.db2.gz SCOQCQKLZHLQEJ-UHFFFAOYSA-N 1 2 346.438 3.740 20 0 EHADLO CCC1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCCCC1 ZINC000461012854 1032204962 /nfs/dbraw/zinc/20/49/62/1032204962.db2.gz MVVZDQQCWAJJRA-UHFFFAOYSA-N 1 2 344.499 3.700 20 0 EHADLO CC[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCC(C)CC1 ZINC000461023214 1032213535 /nfs/dbraw/zinc/21/35/35/1032213535.db2.gz KFBAJTONBFGZNA-ZGUYJTEBSA-N 1 2 329.488 3.629 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000053116816 1032253238 /nfs/dbraw/zinc/25/32/38/1032253238.db2.gz HOJNYTDXAHQUEV-SNVBAGLBSA-N 1 2 342.226 3.749 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000053116816 1032253253 /nfs/dbraw/zinc/25/32/53/1032253253.db2.gz HOJNYTDXAHQUEV-SNVBAGLBSA-N 1 2 342.226 3.749 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000528425013 1032278592 /nfs/dbraw/zinc/27/85/92/1032278592.db2.gz SRKWQGGFLDJDIC-HOTGVXAUSA-N 1 2 342.439 3.805 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)s1 ZINC000528447238 1032286546 /nfs/dbraw/zinc/28/65/46/1032286546.db2.gz DDGSBKVNFWXGNT-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO COCc1cc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)no1 ZINC000459587012 1032287546 /nfs/dbraw/zinc/28/75/46/1032287546.db2.gz JSQGLZNHZHNUHE-SECBINFHSA-N 1 2 343.196 3.573 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000528437241 1032296726 /nfs/dbraw/zinc/29/67/26/1032296726.db2.gz PEIGRMSOGKWGLI-SECBINFHSA-N 1 2 348.251 3.841 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459571699 1032297048 /nfs/dbraw/zinc/29/70/48/1032297048.db2.gz SGXOBQIGDRGKJV-QFYYESIMSA-N 1 2 334.213 3.767 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3c(F)cccc3Cl)[nH+]c12 ZINC000081382031 1032306810 /nfs/dbraw/zinc/30/68/10/1032306810.db2.gz QSQMWJRHTJPNNF-LBPRGKRZSA-N 1 2 345.805 3.855 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000139265341 1032316830 /nfs/dbraw/zinc/31/68/30/1032316830.db2.gz UXUJXOJIUWIHFK-TXEJJXNPSA-N 1 2 343.452 3.723 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000139265341 1032316843 /nfs/dbraw/zinc/31/68/43/1032316843.db2.gz UXUJXOJIUWIHFK-TXEJJXNPSA-N 1 2 343.452 3.723 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184856277 1032325707 /nfs/dbraw/zinc/32/57/07/1032325707.db2.gz CWWLCOUAUVDACK-HNNXBMFYSA-N 1 2 335.407 3.939 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000184868535 1032327750 /nfs/dbraw/zinc/32/77/50/1032327750.db2.gz OQZUOVJAXZTQPP-ZDUSSCGKSA-N 1 2 333.432 3.798 20 0 EHADLO CSc1cccc(C)c1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185011303 1032339875 /nfs/dbraw/zinc/33/98/75/1032339875.db2.gz MRBRSSZZIPLICC-CQSZACIVSA-N 1 2 342.468 3.512 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([S@@](C)=O)cc1 ZINC000278750714 1032342375 /nfs/dbraw/zinc/34/23/75/1032342375.db2.gz WHILTLLECDZYED-PVBMHHQDSA-N 1 2 348.415 3.750 20 0 EHADLO CSc1cccc(C)c1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184965752 1032349034 /nfs/dbraw/zinc/34/90/34/1032349034.db2.gz WOJISQHPSWEVOY-UHFFFAOYSA-N 1 2 330.457 3.782 20 0 EHADLO Cc1ccc2sc(C[N@H+](CCO)Cc3cccc(F)c3)nc2c1 ZINC000528477676 1032352891 /nfs/dbraw/zinc/35/28/91/1032352891.db2.gz QNWXSPIBAGXQNN-UHFFFAOYSA-N 1 2 330.428 3.738 20 0 EHADLO Cc1ccc2sc(C[N@@H+](CCO)Cc3cccc(F)c3)nc2c1 ZINC000528477676 1032352897 /nfs/dbraw/zinc/35/28/97/1032352897.db2.gz QNWXSPIBAGXQNN-UHFFFAOYSA-N 1 2 330.428 3.738 20 0 EHADLO Cc1cc2occ(CC(=O)NCCCNc3cccc[nH+]3)c2cc1C ZINC000118724048 1032364161 /nfs/dbraw/zinc/36/41/61/1032364161.db2.gz PRAXMFNSGXJPSN-UHFFFAOYSA-N 1 2 337.423 3.606 20 0 EHADLO COc1cc2c(c(C[NH2+][C@H](C)c3nc4c(s3)CCC4)c1)O[C@@H](C)C2 ZINC000459654755 1032376917 /nfs/dbraw/zinc/37/69/17/1032376917.db2.gz UEQHWYDASUCAKQ-NWDGAFQWSA-N 1 2 344.480 3.815 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000528525068 1032402470 /nfs/dbraw/zinc/40/24/70/1032402470.db2.gz MACHSHQBTOQHMB-FQEVSTJZSA-N 1 2 327.399 3.602 20 0 EHADLO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000528525068 1032402478 /nfs/dbraw/zinc/40/24/78/1032402478.db2.gz MACHSHQBTOQHMB-FQEVSTJZSA-N 1 2 327.399 3.602 20 0 EHADLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000459707678 1032413401 /nfs/dbraw/zinc/41/34/01/1032413401.db2.gz JQYKQWLFOHQWAP-OAHLLOKOSA-N 1 2 338.879 3.786 20 0 EHADLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000459707678 1032413408 /nfs/dbraw/zinc/41/34/08/1032413408.db2.gz JQYKQWLFOHQWAP-OAHLLOKOSA-N 1 2 338.879 3.786 20 0 EHADLO Cc1[nH+]c(NCc2cccc(OC(C)C)c2)ccc1-c1cnn(C)c1 ZINC000449347242 1032463642 /nfs/dbraw/zinc/46/36/42/1032463642.db2.gz PWNKPIHSKJJUAT-UHFFFAOYSA-N 1 2 336.439 3.612 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000086361156 1032484197 /nfs/dbraw/zinc/48/41/97/1032484197.db2.gz VXEBBDWUEFHQGF-INIZCTEOSA-N 1 2 340.471 3.650 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000537027573 1032490952 /nfs/dbraw/zinc/49/09/52/1032490952.db2.gz FEVKFEAOXNNTAT-AWEZNQCLSA-N 1 2 346.421 3.836 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](CC)c2ccccc2OCC)cs1 ZINC000537049321 1032504172 /nfs/dbraw/zinc/50/41/72/1032504172.db2.gz BKAPPVUKDYZIRM-HNNXBMFYSA-N 1 2 348.468 3.959 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000089268834 1032522428 /nfs/dbraw/zinc/52/24/28/1032522428.db2.gz LPFZJYBJSKACCR-CABCVRRESA-N 1 2 328.803 3.862 20 0 EHADLO Cc1nc(C[NH2+]Cc2cn(C(C)C)nc2C)sc1Br ZINC000449399580 1032522831 /nfs/dbraw/zinc/52/28/31/1032522831.db2.gz BUEGZGSUSBNPCR-UHFFFAOYSA-N 1 2 343.294 3.590 20 0 EHADLO Cc1c[nH+]cc(NCCSCc2csc(CN(C)C)n2)c1C ZINC001168109008 1032539806 /nfs/dbraw/zinc/53/98/06/1032539806.db2.gz WZDOPFGYLNPQEZ-UHFFFAOYSA-N 1 2 336.530 3.562 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426086 1032542084 /nfs/dbraw/zinc/54/20/84/1032542084.db2.gz QRLFHMFQVPRMBZ-PKOBYXMFSA-N 1 2 349.833 3.649 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426086 1032542091 /nfs/dbraw/zinc/54/20/91/1032542091.db2.gz QRLFHMFQVPRMBZ-PKOBYXMFSA-N 1 2 349.833 3.649 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1c(F)cccc1Cl ZINC000537173910 1032547941 /nfs/dbraw/zinc/54/79/41/1032547941.db2.gz OALHDSPMPFROHB-FRRDWIJNSA-N 1 2 326.843 3.634 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1c(F)cccc1Cl ZINC000537178065 1032549015 /nfs/dbraw/zinc/54/90/15/1032549015.db2.gz LWFKPAJFTSHANG-LBPRGKRZSA-N 1 2 332.806 3.719 20 0 EHADLO CC(C)c1cc(N2CCC(C(=O)N3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000090069399 1032555736 /nfs/dbraw/zinc/55/57/36/1032555736.db2.gz VIAGXPFDKPNMFP-UHFFFAOYSA-N 1 2 344.503 3.562 20 0 EHADLO CC(C)c1cc(NCc2cccnc2-n2cccn2)nc(C(C)C)[nH+]1 ZINC000090070576 1032557061 /nfs/dbraw/zinc/55/70/61/1032557061.db2.gz AKSBCYHUVFUYAV-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc3ccc(F)cc3o2)c(OC)c1 ZINC000528673393 1032559963 /nfs/dbraw/zinc/55/99/63/1032559963.db2.gz RAUVHYUAVALSJS-NSHDSACASA-N 1 2 330.359 3.835 20 0 EHADLO CC(C)c1cc(NCCCc2nnc3ccccn32)nc(C(C)C)[nH+]1 ZINC000090086915 1032570593 /nfs/dbraw/zinc/57/05/93/1032570593.db2.gz BSXXPVAZLSRDAZ-UHFFFAOYSA-N 1 2 338.459 3.811 20 0 EHADLO COc1cccnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000592811157 1032588377 /nfs/dbraw/zinc/58/83/77/1032588377.db2.gz IWANJGJNBLYVKM-CQSZACIVSA-N 1 2 331.847 3.627 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)n1 ZINC000592817040 1032590544 /nfs/dbraw/zinc/59/05/44/1032590544.db2.gz NTJXIUCWBAERLX-CQSZACIVSA-N 1 2 347.409 3.642 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2csc(-c3cnn(C)c3)n2)s1 ZINC000592818050 1032590730 /nfs/dbraw/zinc/59/07/30/1032590730.db2.gz ZRIYEYBLAMKPTQ-LLVKDONJSA-N 1 2 347.513 3.810 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2csc(-c3cnn(C)c3)n2)s1 ZINC000592818050 1032590742 /nfs/dbraw/zinc/59/07/42/1032590742.db2.gz ZRIYEYBLAMKPTQ-LLVKDONJSA-N 1 2 347.513 3.810 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC12CC2 ZINC000528699068 1032601160 /nfs/dbraw/zinc/60/11/60/1032601160.db2.gz BCFBTKWTBQYOBM-GOSISDBHSA-N 1 2 341.499 3.727 20 0 EHADLO C[C@@H](CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000137097759 1032609476 /nfs/dbraw/zinc/60/94/76/1032609476.db2.gz AOABMOWJTCPGSY-KRWDZBQOSA-N 1 2 337.467 3.882 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(=O)c1ccccc1 ZINC000602090723 1032633945 /nfs/dbraw/zinc/63/39/45/1032633945.db2.gz RLFHNJVFUKXKBW-HNNXBMFYSA-N 1 2 333.391 3.720 20 0 EHADLO CSCc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602099615 1032642654 /nfs/dbraw/zinc/64/26/54/1032642654.db2.gz XQDFUXPYCRARGN-CYBMUJFWSA-N 1 2 343.374 3.878 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C)s3)CC2)s1 ZINC000606395301 1032670290 /nfs/dbraw/zinc/67/02/90/1032670290.db2.gz ZOHQDLKLMQNEKW-UHFFFAOYSA-N 1 2 348.537 3.567 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000685309387 1032676125 /nfs/dbraw/zinc/67/61/25/1032676125.db2.gz LBVHMYLHGIMEMQ-VYDXJSESSA-N 1 2 345.393 3.556 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000685309386 1032676792 /nfs/dbraw/zinc/67/67/92/1032676792.db2.gz LBVHMYLHGIMEMQ-UXLLHSPISA-N 1 2 345.393 3.556 20 0 EHADLO Cc1ccc(-c2cc(-c3nc([C@@H]([NH3+])CC(C)C)no3)[nH]n2)cc1C ZINC000414619888 1017070229 /nfs/dbraw/zinc/07/02/29/1017070229.db2.gz OSWOFRNPKWJHHU-AWEZNQCLSA-N 1 2 325.416 3.789 20 0 EHADLO Cc1ccc(C)c(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000145090627 1017071231 /nfs/dbraw/zinc/07/12/31/1017071231.db2.gz ZIRQSOHHMXPCRU-INIZCTEOSA-N 1 2 330.501 3.901 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724083 1017153880 /nfs/dbraw/zinc/15/38/80/1017153880.db2.gz IPZRCFUMKSHFTF-RDJZCZTQSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724083 1017153883 /nfs/dbraw/zinc/15/38/83/1017153883.db2.gz IPZRCFUMKSHFTF-RDJZCZTQSA-N 1 2 332.492 3.904 20 0 EHADLO CCOc1ccc(F)c(F)c1CN1CCC(Oc2cc[nH+]cc2)CC1 ZINC001143486246 1017280349 /nfs/dbraw/zinc/28/03/49/1017280349.db2.gz BQDLJHBVZKWHIJ-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c2ccccc21 ZINC000377182054 1017389087 /nfs/dbraw/zinc/38/90/87/1017389087.db2.gz DQLUOZUJHMKWOJ-ZIAGYGMSSA-N 1 2 337.398 3.615 20 0 EHADLO COc1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1OC1CCCC1 ZINC000655712192 1017434901 /nfs/dbraw/zinc/43/49/01/1017434901.db2.gz ONUCZEFUGNXDJP-KRWDZBQOSA-N 1 2 341.455 3.838 20 0 EHADLO CC(C)O[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000340408196 1017475052 /nfs/dbraw/zinc/47/50/52/1017475052.db2.gz HBAYTFCDPVWKMD-HXUWFJFHSA-N 1 2 349.434 3.655 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)c2ccccn2)cc1 ZINC000655735100 1017502322 /nfs/dbraw/zinc/50/23/22/1017502322.db2.gz FILULIHOFZAMFN-QFIPXVFZSA-N 1 2 346.478 3.996 20 0 EHADLO Brc1c2ccccc2oc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000655748754 1017517493 /nfs/dbraw/zinc/51/74/93/1017517493.db2.gz IGCYKJITJBLOLY-NSHDSACASA-N 1 2 346.228 3.566 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051945 1032706878 /nfs/dbraw/zinc/70/68/78/1032706878.db2.gz PKUDRYUMCFJISP-NEPJUHHUSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574051945 1032706891 /nfs/dbraw/zinc/70/68/91/1032706891.db2.gz PKUDRYUMCFJISP-NEPJUHHUSA-N 1 2 339.361 3.827 20 0 EHADLO Cc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc(C2CCC2)[nH+]1 ZINC000892846600 1017576943 /nfs/dbraw/zinc/57/69/43/1017576943.db2.gz UZJCPCXSBAQBAC-SFHVURJKSA-N 1 2 345.487 3.607 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547953871 1017582088 /nfs/dbraw/zinc/58/20/88/1017582088.db2.gz BJDFJGXYBLWZEW-SJLPKXTDSA-N 1 2 340.471 3.593 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000026208939 1017598485 /nfs/dbraw/zinc/59/84/85/1017598485.db2.gz CDOIZXJKBPCNNB-UHFFFAOYSA-N 1 2 336.391 3.760 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000026208939 1017598496 /nfs/dbraw/zinc/59/84/96/1017598496.db2.gz CDOIZXJKBPCNNB-UHFFFAOYSA-N 1 2 336.391 3.760 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)nn1 ZINC000377298815 1017602721 /nfs/dbraw/zinc/60/27/21/1017602721.db2.gz WWAGTDKQDBGCSK-LEWJYISDSA-N 1 2 348.450 3.586 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796024 1017632634 /nfs/dbraw/zinc/63/26/34/1017632634.db2.gz FNHSXAWTUCPIMD-PBHICJAKSA-N 1 2 328.460 3.706 20 0 EHADLO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655796027 1017633219 /nfs/dbraw/zinc/63/32/19/1017633219.db2.gz FNHSXAWTUCPIMD-YOEHRIQHSA-N 1 2 328.460 3.706 20 0 EHADLO Clc1ccc([C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C2CC2)cc1 ZINC000655797809 1017636524 /nfs/dbraw/zinc/63/65/24/1017636524.db2.gz QLXHXRHXYVDKHP-HOCLYGCPSA-N 1 2 332.835 3.551 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cscc2-c2ccccc2)C1 ZINC000377325570 1017647092 /nfs/dbraw/zinc/64/70/92/1017647092.db2.gz YZYKGTCZNIVKDG-OAHLLOKOSA-N 1 2 337.448 3.778 20 0 EHADLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001143494001 1017706044 /nfs/dbraw/zinc/70/60/44/1017706044.db2.gz RFFIEXBUMCCKDC-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ncc(Br)cn1 ZINC000340423378 1017729377 /nfs/dbraw/zinc/72/93/77/1017729377.db2.gz MKOFBCBFFIKDHW-BONVTDFDSA-N 1 2 348.244 3.673 20 0 EHADLO Cc1[nH+]cc(Nc2cc(C(F)(F)F)cnc2Br)cc1N ZINC001210288799 1017751976 /nfs/dbraw/zinc/75/19/76/1017751976.db2.gz QFUMDYPUNGYBHW-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO CCc1sc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000046873215 1017778196 /nfs/dbraw/zinc/77/81/96/1017778196.db2.gz YEBBZQSXECHPQT-INIZCTEOSA-N 1 2 328.481 3.748 20 0 EHADLO CCc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000046873215 1017778207 /nfs/dbraw/zinc/77/82/07/1017778207.db2.gz YEBBZQSXECHPQT-INIZCTEOSA-N 1 2 328.481 3.748 20 0 EHADLO FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1cc(-n2cc[nH+]c2)cs1 ZINC000655853586 1017788266 /nfs/dbraw/zinc/78/82/66/1017788266.db2.gz MAUGKQORNCVZRH-TZMCWYRMSA-N 1 2 345.390 3.523 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)sc2C1 ZINC000449543587 1032733945 /nfs/dbraw/zinc/73/39/45/1032733945.db2.gz TVQWNGVIAFAQPE-KXBFYZLASA-N 1 2 331.529 3.530 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)sc2C1 ZINC000449543587 1032733961 /nfs/dbraw/zinc/73/39/61/1032733961.db2.gz TVQWNGVIAFAQPE-KXBFYZLASA-N 1 2 331.529 3.530 20 0 EHADLO CCC1CCC([N@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)CC1 ZINC000066792619 1017940143 /nfs/dbraw/zinc/94/01/43/1017940143.db2.gz UAQAYGJTTQZUOD-UHFFFAOYSA-N 1 2 331.504 3.932 20 0 EHADLO CCC1CCC([N@@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)CC1 ZINC000066792619 1017940151 /nfs/dbraw/zinc/94/01/51/1017940151.db2.gz UAQAYGJTTQZUOD-UHFFFAOYSA-N 1 2 331.504 3.932 20 0 EHADLO O=C(C[C@H]1CCC[N@@H+]1Cc1noc2c1CCCC2)c1cccs1 ZINC000121837908 1017944115 /nfs/dbraw/zinc/94/41/15/1017944115.db2.gz YKQQLWDCWBTLAA-CYBMUJFWSA-N 1 2 330.453 3.852 20 0 EHADLO O=C(C[C@H]1CCC[N@H+]1Cc1noc2c1CCCC2)c1cccs1 ZINC000121837908 1017944125 /nfs/dbraw/zinc/94/41/25/1017944125.db2.gz YKQQLWDCWBTLAA-CYBMUJFWSA-N 1 2 330.453 3.852 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000066793518 1018014069 /nfs/dbraw/zinc/01/40/69/1018014069.db2.gz YBAPLTPGVVUDDA-SFHVURJKSA-N 1 2 339.483 3.596 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000066793518 1018014085 /nfs/dbraw/zinc/01/40/85/1018014085.db2.gz YBAPLTPGVVUDDA-SFHVURJKSA-N 1 2 339.483 3.596 20 0 EHADLO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000377585118 1018016451 /nfs/dbraw/zinc/01/64/51/1018016451.db2.gz TZEQOLQOSUAWCL-KBPBESRZSA-N 1 2 335.325 3.823 20 0 EHADLO CC(C)[C@@H]1C[C@H](Nc2ccc(N(C)CCO)c[nH+]2)c2ccccc21 ZINC000683692636 1018038926 /nfs/dbraw/zinc/03/89/26/1018038926.db2.gz JWQKTNSFENYCLS-OALUTQOASA-N 1 2 325.456 3.807 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)s1 ZINC000377626923 1018079622 /nfs/dbraw/zinc/07/96/22/1018079622.db2.gz LNBXAAZUFLGZTN-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)s1 ZINC000377626923 1018079636 /nfs/dbraw/zinc/07/96/36/1018079636.db2.gz LNBXAAZUFLGZTN-AWEZNQCLSA-N 1 2 336.423 3.720 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1F ZINC000091920945 1032741748 /nfs/dbraw/zinc/74/17/48/1032741748.db2.gz JZHGHVTVMGOCHP-WBVHZDCISA-N 1 2 335.444 3.520 20 0 EHADLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1F ZINC000091920945 1032741765 /nfs/dbraw/zinc/74/17/65/1032741765.db2.gz JZHGHVTVMGOCHP-WBVHZDCISA-N 1 2 335.444 3.520 20 0 EHADLO Cc1csc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)n1 ZINC000655979423 1018095536 /nfs/dbraw/zinc/09/55/36/1018095536.db2.gz DJHCAGLDWLYUFE-LBPRGKRZSA-N 1 2 334.832 3.806 20 0 EHADLO Fc1cccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)c1 ZINC000026808339 1018136866 /nfs/dbraw/zinc/13/68/66/1018136866.db2.gz GWMOCSKGZZQGES-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO O=C(c1ncsc1-c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275689839 1018156707 /nfs/dbraw/zinc/15/67/07/1018156707.db2.gz IGNMBZNXDAIYTB-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(=O)c2ccccc12 ZINC000066796040 1018166929 /nfs/dbraw/zinc/16/69/29/1018166929.db2.gz QNAWZSHZJNXBFA-IBGZPJMESA-N 1 2 347.462 3.932 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c(=O)c2ccccc12 ZINC000066796040 1018166941 /nfs/dbraw/zinc/16/69/41/1018166941.db2.gz QNAWZSHZJNXBFA-IBGZPJMESA-N 1 2 347.462 3.932 20 0 EHADLO CC[C@@H]([NH2+]Cc1scnc1C1CC1)c1nnc2n1CCCCC2 ZINC000558961290 1018262086 /nfs/dbraw/zinc/26/20/86/1018262086.db2.gz FVNXQPILGUUDOM-CYBMUJFWSA-N 1 2 331.489 3.579 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCn2c(cc3ccccc32)C1 ZINC000377745839 1018307131 /nfs/dbraw/zinc/30/71/31/1018307131.db2.gz CDMCPYIHEVEXML-UHFFFAOYSA-N 1 2 345.406 3.727 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000606570009 1032755321 /nfs/dbraw/zinc/75/53/21/1032755321.db2.gz MBMJCDZZMHGYOA-CQSZACIVSA-N 1 2 338.411 3.924 20 0 EHADLO Cc1cc(N)nc(SCc2ccc(Br)cc2F)[nH+]1 ZINC000007048581 1018312308 /nfs/dbraw/zinc/31/23/08/1018312308.db2.gz SYHJDPFXLDUYFJ-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000278819523 1018368285 /nfs/dbraw/zinc/36/82/85/1018368285.db2.gz CDOLPGSCYKXRDL-AXFHLTTASA-N 1 2 349.422 3.602 20 0 EHADLO CC(=O)Nc1ccccc1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000340555289 1018412376 /nfs/dbraw/zinc/41/23/76/1018412376.db2.gz BYBBCTPYTMCJES-UHFFFAOYSA-N 1 2 339.317 3.593 20 0 EHADLO FC(F)(F)COc1cc(NCc2ccc(-n3ccnc3)cc2)cc[nH+]1 ZINC000340556265 1018422921 /nfs/dbraw/zinc/42/29/21/1018422921.db2.gz JNBOETGVLKLEQO-UHFFFAOYSA-N 1 2 348.328 3.821 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073083 1032764837 /nfs/dbraw/zinc/76/48/37/1032764837.db2.gz FJBCEIJTFKNGLN-LLVKDONJSA-N 1 2 327.325 3.947 20 0 EHADLO COc1ccc([C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C(C)C)cc1 ZINC000606581505 1032765023 /nfs/dbraw/zinc/76/50/23/1032765023.db2.gz FXJXDOAGNOYPEK-SFHVURJKSA-N 1 2 338.411 3.862 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000606582827 1032765838 /nfs/dbraw/zinc/76/58/38/1032765838.db2.gz FUHAMJPYANEIDP-HNNXBMFYSA-N 1 2 340.358 3.509 20 0 EHADLO CN(C)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccsc1 ZINC000275750641 1018495484 /nfs/dbraw/zinc/49/54/84/1018495484.db2.gz SMZHIUHIMVATEQ-IAGOWNOFSA-N 1 2 344.459 3.592 20 0 EHADLO COc1cc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)ccn1 ZINC000348514608 1018585065 /nfs/dbraw/zinc/58/50/65/1018585065.db2.gz MIBWSNFXDGXTCQ-UHFFFAOYSA-N 1 2 331.363 3.590 20 0 EHADLO O=C(CCCc1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377958142 1018594301 /nfs/dbraw/zinc/59/43/01/1018594301.db2.gz YUIHYZFMVXUSRV-MRXNPFEDSA-N 1 2 331.847 3.723 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3cccc(Cl)c3)ccc2[nH+]1 ZINC000340597797 1018614613 /nfs/dbraw/zinc/61/46/13/1018614613.db2.gz OOPRKHFFFSYZEY-UHFFFAOYSA-N 1 2 328.803 3.660 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](c4cccc(C)c4)C3)ccc2[nH+]1 ZINC000580124229 1018677618 /nfs/dbraw/zinc/67/76/18/1018677618.db2.gz YMXZDHJUXJZWRW-KRWDZBQOSA-N 1 2 334.423 3.973 20 0 EHADLO COC(=O)c1cc(OC)c(Nc2cc(C)[nH+]c(OC)c2)cc1Cl ZINC001210781010 1018677640 /nfs/dbraw/zinc/67/76/40/1018677640.db2.gz VEVMXRIUQFMQOX-UHFFFAOYSA-N 1 2 336.775 3.591 20 0 EHADLO O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178803822 1018722760 /nfs/dbraw/zinc/72/27/60/1018722760.db2.gz ZFCUNCQTQBUTRA-OAHLLOKOSA-N 1 2 347.296 3.728 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660387 1032786130 /nfs/dbraw/zinc/78/61/30/1032786130.db2.gz GEEHDLHTKMDREY-APWZRJJASA-N 1 2 329.488 3.612 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)on1 ZINC000052161733 1018757501 /nfs/dbraw/zinc/75/75/01/1018757501.db2.gz QDPBABJQEKZNFB-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)on1 ZINC000052161733 1018757518 /nfs/dbraw/zinc/75/75/18/1018757518.db2.gz QDPBABJQEKZNFB-UHFFFAOYSA-N 1 2 345.418 3.714 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000172587096 1032797368 /nfs/dbraw/zinc/79/73/68/1032797368.db2.gz OXWBKYDJHIZQOG-HNNXBMFYSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000172587096 1032797372 /nfs/dbraw/zinc/79/73/72/1032797372.db2.gz OXWBKYDJHIZQOG-HNNXBMFYSA-N 1 2 332.806 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC[C@H]1c1ccco1)C2 ZINC000476069092 1032804305 /nfs/dbraw/zinc/80/43/05/1032804305.db2.gz CQNQQAPITWAJHJ-PBHICJAKSA-N 1 2 341.455 3.985 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC[C@H]1c1ccco1)CC2 ZINC000476069092 1032804323 /nfs/dbraw/zinc/80/43/23/1032804323.db2.gz CQNQQAPITWAJHJ-PBHICJAKSA-N 1 2 341.455 3.985 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21)n1cc[nH+]c1 ZINC000580332861 1019062944 /nfs/dbraw/zinc/06/29/44/1019062944.db2.gz GIKZDBVDAAHBMQ-JSGCOSHPSA-N 1 2 337.345 3.917 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000580340764 1019095447 /nfs/dbraw/zinc/09/54/47/1019095447.db2.gz RJIMDYWYCBNCCT-UKRRQHHQSA-N 1 2 328.460 3.989 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000513145344 1019107299 /nfs/dbraw/zinc/10/72/99/1019107299.db2.gz RJLZOJXJVWOGED-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000513145344 1019107307 /nfs/dbraw/zinc/10/73/07/1019107307.db2.gz RJLZOJXJVWOGED-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000548081415 1019112638 /nfs/dbraw/zinc/11/26/38/1019112638.db2.gz VWXKUCZDRMWLKY-UHFFFAOYSA-N 1 2 349.438 3.662 20 0 EHADLO Cc1nccnc1[C@@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275855043 1019126359 /nfs/dbraw/zinc/12/63/59/1019126359.db2.gz LTUDSMNRSCDTBF-OAHLLOKOSA-N 1 2 331.423 3.873 20 0 EHADLO Cc1cc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc(C2CCC2)[nH+]1 ZINC000894202590 1019136935 /nfs/dbraw/zinc/13/69/35/1019136935.db2.gz XRSSZOGCYMZJRZ-OAQYLSRUSA-N 1 2 349.434 3.667 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOc3ccc(F)cc3C2)c(C)[nH+]1 ZINC000408467515 1019219119 /nfs/dbraw/zinc/21/91/19/1019219119.db2.gz OKKHCOUSQGBYEJ-UHFFFAOYSA-N 1 2 329.375 3.572 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052803118 1019272043 /nfs/dbraw/zinc/27/20/43/1019272043.db2.gz KYOMCAXAAJGEEK-MRXNPFEDSA-N 1 2 346.452 3.541 20 0 EHADLO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052803118 1019272051 /nfs/dbraw/zinc/27/20/51/1019272051.db2.gz KYOMCAXAAJGEEK-MRXNPFEDSA-N 1 2 346.452 3.541 20 0 EHADLO O=C(COc1cccc(Cl)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052909587 1019305049 /nfs/dbraw/zinc/30/50/49/1019305049.db2.gz QBFGIKMBNMPSCQ-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO FC(F)(F)c1nc2n(c1C[NH+]1CC(Cc3ccco3)C1)CCCC2 ZINC000639349874 1019306620 /nfs/dbraw/zinc/30/66/20/1019306620.db2.gz SRIJWQUYSIQFME-UHFFFAOYSA-N 1 2 339.361 3.506 20 0 EHADLO CC(C)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890411 1019311787 /nfs/dbraw/zinc/31/17/87/1019311787.db2.gz VTDNNCCIWBSEBR-UHFFFAOYSA-N 1 2 337.826 3.751 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[S@@]1=O ZINC000449571703 1032825228 /nfs/dbraw/zinc/82/52/28/1032825228.db2.gz LFVIVRUIAMXSKJ-DEOSSOPVSA-N 1 2 346.471 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[S@@]1=O ZINC000449571703 1032825247 /nfs/dbraw/zinc/82/52/47/1032825247.db2.gz LFVIVRUIAMXSKJ-DEOSSOPVSA-N 1 2 346.471 3.621 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000340690812 1019375629 /nfs/dbraw/zinc/37/56/29/1019375629.db2.gz IJMNNNDTMZYDQW-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000340690812 1019375642 /nfs/dbraw/zinc/37/56/42/1019375642.db2.gz IJMNNNDTMZYDQW-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4nccc5[nH]ccc54)no3)[nH]c21 ZINC000340694769 1019399227 /nfs/dbraw/zinc/39/92/27/1019399227.db2.gz IAALQUPAUDSDMO-UHFFFAOYSA-N 1 2 344.378 3.583 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430003513 1019453016 /nfs/dbraw/zinc/45/30/16/1019453016.db2.gz HUDFKTFWZUKQLG-UHFFFAOYSA-N 1 2 340.492 3.585 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000119143600 1019484712 /nfs/dbraw/zinc/48/47/12/1019484712.db2.gz BJSCFJNJFQFNKK-SFHVURJKSA-N 1 2 344.503 3.936 20 0 EHADLO c1cc(O[C@@H]2CCN(c3nc(C4CCCCC4)ns3)C2)cc[nH+]1 ZINC000576693593 1019506227 /nfs/dbraw/zinc/50/62/27/1019506227.db2.gz XCNXHBYQXBXUDA-OAHLLOKOSA-N 1 2 330.457 3.639 20 0 EHADLO COc1cc2ccccc2cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000683967416 1019538283 /nfs/dbraw/zinc/53/82/83/1019538283.db2.gz IMUYPWQYRDVBTB-GOSISDBHSA-N 1 2 348.402 3.537 20 0 EHADLO CNC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC000340712483 1019576404 /nfs/dbraw/zinc/57/64/04/1019576404.db2.gz OVINSZPDXWSOMO-UHFFFAOYSA-N 1 2 346.843 3.559 20 0 EHADLO CC(C)c1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000433823364 1019664241 /nfs/dbraw/zinc/66/42/41/1019664241.db2.gz WROOBCUSLCLOQK-IUODEOHRSA-N 1 2 345.409 3.863 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCC[C@H]3C(=O)OC(C)(C)C)cc2c1 ZINC000513444689 1019683651 /nfs/dbraw/zinc/68/36/51/1019683651.db2.gz XEVJALDHTJMXMZ-INIZCTEOSA-N 1 2 331.412 3.748 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCC[C@H]3C(=O)OC(C)(C)C)cc2c1 ZINC000513444689 1019683663 /nfs/dbraw/zinc/68/36/63/1019683663.db2.gz XEVJALDHTJMXMZ-INIZCTEOSA-N 1 2 331.412 3.748 20 0 EHADLO CCc1cccc(OCC[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000513452370 1019700535 /nfs/dbraw/zinc/70/05/35/1019700535.db2.gz XQPFHEWGYOKBEM-UHFFFAOYSA-N 1 2 344.524 3.550 20 0 EHADLO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471598817 1019710193 /nfs/dbraw/zinc/71/01/93/1019710193.db2.gz ZATLZTAKBJSIAU-DOTOQJQBSA-N 1 2 328.460 3.832 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000340734719 1019747218 /nfs/dbraw/zinc/74/72/18/1019747218.db2.gz GJWMKJVMCYWANX-LJQANCHMSA-N 1 2 348.450 3.693 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccs2)CCCCC1 ZINC000606791870 1032853727 /nfs/dbraw/zinc/85/37/27/1032853727.db2.gz JMOIIMWZMBQAOG-UHFFFAOYSA-N 1 2 331.485 3.743 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CC3CCC1CC3)C2 ZINC000580650960 1019796886 /nfs/dbraw/zinc/79/68/86/1019796886.db2.gz VAADCHJUQBNNKY-QDIHITRGSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CC3CCC1CC3)CC2 ZINC000580650960 1019796909 /nfs/dbraw/zinc/79/69/09/1019796909.db2.gz VAADCHJUQBNNKY-QDIHITRGSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1cc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000123006747 1019841643 /nfs/dbraw/zinc/84/16/43/1019841643.db2.gz NASUVMNRNJAZIP-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000047992850 1019879026 /nfs/dbraw/zinc/87/90/26/1019879026.db2.gz WRQRBPFAJANLSN-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000345177767 1020027704 /nfs/dbraw/zinc/02/77/04/1020027704.db2.gz IHQDXTJNEWDDLD-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cncc(OC3CCCCC3)n1)CCC2 ZINC000345180088 1020031932 /nfs/dbraw/zinc/03/19/32/1020031932.db2.gz MWVSNHNYQQAIDO-HNNXBMFYSA-N 1 2 341.459 3.683 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2cn(C)nc2C(F)F)c2ccccn2)cc1 ZINC000280048783 1020033055 /nfs/dbraw/zinc/03/30/55/1020033055.db2.gz LZZMCQYPMVKMTK-KRWDZBQOSA-N 1 2 342.393 3.940 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)Cc3ccccc3C)[nH+]c12 ZINC000580809454 1020042034 /nfs/dbraw/zinc/04/20/34/1020042034.db2.gz AQDNMDGJTUQVDZ-KRWDZBQOSA-N 1 2 335.451 3.583 20 0 EHADLO CCCCOC1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 ZINC000430521786 1020061800 /nfs/dbraw/zinc/06/18/00/1020061800.db2.gz VNVOKZNTRCBEIJ-UHFFFAOYSA-N 1 2 343.471 3.750 20 0 EHADLO CC(C)COc1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000048118305 1020090132 /nfs/dbraw/zinc/09/01/32/1020090132.db2.gz SZAMZWUKGUWFTN-UHFFFAOYSA-N 1 2 342.443 3.740 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](CCO)Cc3cccnc3)s2)cc1 ZINC000093086501 1032875651 /nfs/dbraw/zinc/87/56/51/1032875651.db2.gz QKGSFNDXLMAHIL-UHFFFAOYSA-N 1 2 339.464 3.508 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](CCO)Cc3cccnc3)s2)cc1 ZINC000093086501 1032875658 /nfs/dbraw/zinc/87/56/58/1032875658.db2.gz QKGSFNDXLMAHIL-UHFFFAOYSA-N 1 2 339.464 3.508 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)oc21 ZINC000345329186 1020174813 /nfs/dbraw/zinc/17/48/13/1020174813.db2.gz KHLXJQJDFWBWKL-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CCOCCC1(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCC1 ZINC000280209613 1020181364 /nfs/dbraw/zinc/18/13/64/1020181364.db2.gz NBJDTKDGYABELX-UHFFFAOYSA-N 1 2 327.428 3.921 20 0 EHADLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1C1CC1 ZINC000580885889 1020188747 /nfs/dbraw/zinc/18/87/47/1020188747.db2.gz WVQMYTKEQUHTDI-OAHLLOKOSA-N 1 2 348.516 3.781 20 0 EHADLO O[C@H](C1CC[NH+](Cc2cccc(F)c2Cl)CC1)C(F)(F)F ZINC000093190935 1032883338 /nfs/dbraw/zinc/88/33/38/1032883338.db2.gz LPFSNUJEDYKPRM-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO CC(C)c1occc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000280223215 1020206924 /nfs/dbraw/zinc/20/69/24/1020206924.db2.gz HHGNCPXGLGSBHZ-IRXDYDNUSA-N 1 2 348.393 3.856 20 0 EHADLO CC(C)c1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000280223215 1020206934 /nfs/dbraw/zinc/20/69/34/1020206934.db2.gz HHGNCPXGLGSBHZ-IRXDYDNUSA-N 1 2 348.393 3.856 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000528832233 1032884852 /nfs/dbraw/zinc/88/48/52/1032884852.db2.gz UVJDQHXIGNEJDA-KKUMJFAQSA-N 1 2 341.430 3.628 20 0 EHADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000345400343 1020245677 /nfs/dbraw/zinc/24/56/77/1020245677.db2.gz LXFZKGISNFSJLO-QGZVFWFLSA-N 1 2 344.499 3.527 20 0 EHADLO CO[C@H]1CCOc2c(NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000684114290 1020256884 /nfs/dbraw/zinc/25/68/84/1020256884.db2.gz UJQRMDULEGJGJJ-IBGZPJMESA-N 1 2 335.407 3.954 20 0 EHADLO CCC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000345483334 1020294801 /nfs/dbraw/zinc/29/48/01/1020294801.db2.gz VILIUBNYTWDKQF-MOPGFXCFSA-N 1 2 339.439 3.786 20 0 EHADLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000280333369 1020315077 /nfs/dbraw/zinc/31/50/77/1020315077.db2.gz HUTDWLXNOZKFIW-INIZCTEOSA-N 1 2 345.270 3.823 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000280333369 1020315087 /nfs/dbraw/zinc/31/50/87/1020315087.db2.gz HUTDWLXNOZKFIW-INIZCTEOSA-N 1 2 345.270 3.823 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c(F)c1F ZINC000280414949 1020373169 /nfs/dbraw/zinc/37/31/69/1020373169.db2.gz BFSLYRKSZHOVGJ-LBPRGKRZSA-N 1 2 346.349 3.841 20 0 EHADLO Cc1ccc2[nH+]cc(CN(CCC(F)(F)F)CC(F)(F)F)n2c1 ZINC000280464148 1020403922 /nfs/dbraw/zinc/40/39/22/1020403922.db2.gz MRFLKDJFDRVJEF-UHFFFAOYSA-N 1 2 339.283 3.959 20 0 EHADLO CC[C@](C)([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1nccs1 ZINC000606912908 1032899366 /nfs/dbraw/zinc/89/93/66/1032899366.db2.gz NYENCHHFQATKTQ-SGTLLEGYSA-N 1 2 332.469 3.890 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ncccc1F ZINC000528824025 1032900123 /nfs/dbraw/zinc/90/01/23/1032900123.db2.gz KKHPROPGEVJZFY-ZDUSSCGKSA-N 1 2 329.419 3.808 20 0 EHADLO Cc1cc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)cc[nH+]1 ZINC000280512427 1020452064 /nfs/dbraw/zinc/45/20/64/1020452064.db2.gz MAKCPYNORYHMPB-UHFFFAOYSA-N 1 2 344.465 3.914 20 0 EHADLO O[C@@H](C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC000093766329 1032903067 /nfs/dbraw/zinc/90/30/67/1032903067.db2.gz VFBCVFWZDBSKKU-ZDUSSCGKSA-N 1 2 325.733 3.614 20 0 EHADLO C=COc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001299156317 1020532921 /nfs/dbraw/zinc/53/29/21/1020532921.db2.gz FNANSRQUVQONIC-CYBMUJFWSA-N 1 2 325.290 3.538 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCCN2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292360446 1020593310 /nfs/dbraw/zinc/59/33/10/1020593310.db2.gz OTZIJOPMHLUEAQ-IBGZPJMESA-N 1 2 340.471 3.980 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C[C@H]1n1cc[nH+]c1 ZINC000345957623 1020630550 /nfs/dbraw/zinc/63/05/50/1020630550.db2.gz CAFZGGSADNZOPW-IUODEOHRSA-N 1 2 337.876 3.640 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000292409083 1020688874 /nfs/dbraw/zinc/68/88/74/1020688874.db2.gz SJUDWXVSXRAVAW-UHFFFAOYSA-N 1 2 344.434 3.604 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(F)cc1 ZINC000072558007 1020708371 /nfs/dbraw/zinc/70/83/71/1020708371.db2.gz FEZAYZVEANYNBT-CQSZACIVSA-N 1 2 331.313 3.800 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000276142867 1020711417 /nfs/dbraw/zinc/71/14/17/1020711417.db2.gz CTUQOVMFCPATTI-CABCVRRESA-N 1 2 343.475 3.907 20 0 EHADLO c1ccc2[nH]c(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)nc2c1 ZINC000548161089 1020752737 /nfs/dbraw/zinc/75/27/37/1020752737.db2.gz LATHQKBWQIYNRA-UHFFFAOYSA-N 1 2 347.418 3.623 20 0 EHADLO c1ccc2[nH]c(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)nc2c1 ZINC000548161089 1020752744 /nfs/dbraw/zinc/75/27/44/1020752744.db2.gz LATHQKBWQIYNRA-UHFFFAOYSA-N 1 2 347.418 3.623 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC001167457571 1020785912 /nfs/dbraw/zinc/78/59/12/1020785912.db2.gz FJGZUBLSTLSBFQ-QGZVFWFLSA-N 1 2 334.891 3.735 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC001167457571 1020785921 /nfs/dbraw/zinc/78/59/21/1020785921.db2.gz FJGZUBLSTLSBFQ-QGZVFWFLSA-N 1 2 334.891 3.735 20 0 EHADLO Cc1cc2c(s1)N(c1ncnc3c1COC3)c1ccccc1NC2=[NH2+] ZINC001167460375 1020867948 /nfs/dbraw/zinc/86/79/48/1020867948.db2.gz NAHZXWWUEKFNGN-UHFFFAOYSA-N 1 2 349.419 3.697 20 0 EHADLO CC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC000341102210 1020979053 /nfs/dbraw/zinc/97/90/53/1020979053.db2.gz CLBGGIGBBLXWLT-UHFFFAOYSA-N 1 2 337.354 3.525 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000276269629 1020984069 /nfs/dbraw/zinc/98/40/69/1020984069.db2.gz PVUJZGUDMJFUQH-LBPRGKRZSA-N 1 2 336.304 3.566 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000276269629 1020984079 /nfs/dbraw/zinc/98/40/79/1020984079.db2.gz PVUJZGUDMJFUQH-LBPRGKRZSA-N 1 2 336.304 3.566 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138541 1021001550 /nfs/dbraw/zinc/00/15/50/1021001550.db2.gz OXCNWXNJMGMVLA-UWVGGRQHSA-N 1 2 333.295 3.541 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138541 1021001553 /nfs/dbraw/zinc/00/15/53/1021001553.db2.gz OXCNWXNJMGMVLA-UWVGGRQHSA-N 1 2 333.295 3.541 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341172932 1021044017 /nfs/dbraw/zinc/04/40/17/1021044017.db2.gz DFANHLMPNMJZOZ-MRXNPFEDSA-N 1 2 346.434 3.529 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000581541651 1021068356 /nfs/dbraw/zinc/06/83/56/1021068356.db2.gz AOAFKFSSKZVENC-SAABIXHNSA-N 1 2 327.403 3.583 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000581574719 1021104822 /nfs/dbraw/zinc/10/48/22/1021104822.db2.gz KKNNTZNWNNITDN-CRPZLVSXSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCOC[C@]12CCOC2 ZINC000581574719 1021104826 /nfs/dbraw/zinc/10/48/26/1021104826.db2.gz KKNNTZNWNNITDN-CRPZLVSXSA-N 1 2 341.373 3.600 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581578336 1021110008 /nfs/dbraw/zinc/11/00/08/1021110008.db2.gz XPJHXYSEJQZOKU-ICSRJNTNSA-N 1 2 339.483 3.949 20 0 EHADLO Cc1ccn(-c2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000341224540 1021127246 /nfs/dbraw/zinc/12/72/46/1021127246.db2.gz ABNCINDWNGCOBF-UHFFFAOYSA-N 1 2 329.407 3.979 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000341229770 1021134413 /nfs/dbraw/zinc/13/44/13/1021134413.db2.gz QKIFPWOCOREQMX-LLVKDONJSA-N 1 2 342.468 3.750 20 0 EHADLO O=C(c1cccc(Cl)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341233803 1021144283 /nfs/dbraw/zinc/14/42/83/1021144283.db2.gz CGWFPKQHKPMJCU-UHFFFAOYSA-N 1 2 331.847 3.869 20 0 EHADLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000341239299 1021151402 /nfs/dbraw/zinc/15/14/02/1021151402.db2.gz KSWPTVSRPKJCGT-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681558 1021157924 /nfs/dbraw/zinc/15/79/24/1021157924.db2.gz HURXGQPLVSKYNM-HUUCEWRRSA-N 1 2 331.485 3.619 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cscn1 ZINC000656681390 1021159014 /nfs/dbraw/zinc/15/90/14/1021159014.db2.gz FIGVCDSXDXNCRO-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000341242378 1021161514 /nfs/dbraw/zinc/16/15/14/1021161514.db2.gz PDLYGUYCCCUENT-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO O=C(CSc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341242287 1021161614 /nfs/dbraw/zinc/16/16/14/1021161614.db2.gz OUKBVKVODFQXLR-UHFFFAOYSA-N 1 2 343.496 3.694 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000341242193 1021162039 /nfs/dbraw/zinc/16/20/39/1021162039.db2.gz ZREPPEQYGNXFCW-IXDOHACOSA-N 1 2 330.476 3.542 20 0 EHADLO CC(C)c1ncc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341243461 1021167166 /nfs/dbraw/zinc/16/71/66/1021167166.db2.gz QXMADOLACKEIGG-UHFFFAOYSA-N 1 2 346.500 3.796 20 0 EHADLO Fc1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(F)cn1 ZINC000295920325 1021212915 /nfs/dbraw/zinc/21/29/15/1021212915.db2.gz BPKLAVURLZLHHA-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)ccc2[nH+]1 ZINC000276410500 1021219679 /nfs/dbraw/zinc/21/96/79/1021219679.db2.gz WJBJZABPIMPOCB-LBPRGKRZSA-N 1 2 340.349 3.837 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cscn1 ZINC000190449745 1021220841 /nfs/dbraw/zinc/22/08/41/1021220841.db2.gz UOZIWIYRGMPWKZ-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657877 1021235440 /nfs/dbraw/zinc/23/54/40/1021235440.db2.gz XFPZSYUPBCYPOB-OAHLLOKOSA-N 1 2 334.414 3.654 20 0 EHADLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657877 1021235452 /nfs/dbraw/zinc/23/54/52/1021235452.db2.gz XFPZSYUPBCYPOB-OAHLLOKOSA-N 1 2 334.414 3.654 20 0 EHADLO C[C@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1F ZINC000341275683 1021261760 /nfs/dbraw/zinc/26/17/60/1021261760.db2.gz AHJCMMYITNLEBK-JTQLQIEISA-N 1 2 332.379 3.729 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CC=CC[C@H]3C)n2)CC1 ZINC000507449463 1021272052 /nfs/dbraw/zinc/27/20/52/1021272052.db2.gz IBKHCJYVQCYKPK-GDBMZVCRSA-N 1 2 333.501 3.916 20 0 EHADLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc2c1OCCO2 ZINC000449635594 1032968971 /nfs/dbraw/zinc/96/89/71/1032968971.db2.gz USFCLZYDIVCJBS-LJQANCHMSA-N 1 2 341.407 3.787 20 0 EHADLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc2c1OCCO2 ZINC000449635594 1032968987 /nfs/dbraw/zinc/96/89/87/1032968987.db2.gz USFCLZYDIVCJBS-LJQANCHMSA-N 1 2 341.407 3.787 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc2ccccc2n1C ZINC000656772716 1021316632 /nfs/dbraw/zinc/31/66/32/1021316632.db2.gz WYVGMAHQQZMHDN-UHFFFAOYSA-N 1 2 334.423 3.787 20 0 EHADLO CCn1c[nH+]cc1CNc1ncc(Cc2c(F)cccc2F)s1 ZINC000656781254 1021319726 /nfs/dbraw/zinc/31/97/26/1021319726.db2.gz KETOPQAOWPSMOV-UHFFFAOYSA-N 1 2 334.395 3.841 20 0 EHADLO C[NH+](C)[C@@H](c1nc(-c2ccc(O)c(F)c2)no1)c1cccc(Cl)c1 ZINC000436877282 1021322369 /nfs/dbraw/zinc/32/23/69/1021322369.db2.gz FRQXOAIKZXKLIW-OAHLLOKOSA-N 1 2 347.777 3.886 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCCC34CCCC4)[nH+]c12 ZINC000516362007 1021323881 /nfs/dbraw/zinc/32/38/81/1021323881.db2.gz YWQIMBOXDFCMEZ-KRWDZBQOSA-N 1 2 325.456 3.804 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)on1 ZINC000602555145 1032970978 /nfs/dbraw/zinc/97/09/78/1032970978.db2.gz CRHDOJAYFPAYNI-MRVPVSSYSA-N 1 2 329.183 3.619 20 0 EHADLO CCc1nn(C)c(Cl)c1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000167769911 1032971057 /nfs/dbraw/zinc/97/10/57/1032971057.db2.gz WAIZIOZUEMVZAU-UHFFFAOYSA-N 1 2 338.242 3.788 20 0 EHADLO CCCc1nc(C)c(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000426344688 1021333712 /nfs/dbraw/zinc/33/37/12/1021333712.db2.gz BNTLOGUJGFGLPO-GOSISDBHSA-N 1 2 327.472 3.690 20 0 EHADLO CCCc1nc(C)c(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000426344688 1021333730 /nfs/dbraw/zinc/33/37/30/1021333730.db2.gz BNTLOGUJGFGLPO-GOSISDBHSA-N 1 2 327.472 3.690 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCC2CC2)cc1 ZINC000505894408 1021337551 /nfs/dbraw/zinc/33/75/51/1021337551.db2.gz OMDDRZDHDHVMKM-UHFFFAOYSA-N 1 2 338.451 3.854 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OCC2CC2)cc1 ZINC000505894408 1021337569 /nfs/dbraw/zinc/33/75/69/1021337569.db2.gz OMDDRZDHDHVMKM-UHFFFAOYSA-N 1 2 338.451 3.854 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)o2)c(C)o1 ZINC000341290485 1021356069 /nfs/dbraw/zinc/35/60/69/1021356069.db2.gz GBDWYQBIWLBEBH-NSHDSACASA-N 1 2 341.367 3.526 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cs1 ZINC000276451023 1021395906 /nfs/dbraw/zinc/39/59/06/1021395906.db2.gz ZPYPAGVOBYUXMQ-YPMHNXCESA-N 1 2 336.505 3.961 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1F ZINC000341308318 1021408426 /nfs/dbraw/zinc/40/84/26/1021408426.db2.gz KIFFVEGKXOAQAU-UHFFFAOYSA-N 1 2 347.409 3.802 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3cscn3)C2=O)c(C)c1 ZINC000276472312 1021433610 /nfs/dbraw/zinc/43/36/10/1021433610.db2.gz BMPFJXTWEGJXPT-GJZGRUSLSA-N 1 2 329.469 3.524 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507683513 1021441271 /nfs/dbraw/zinc/44/12/71/1021441271.db2.gz LBEUXNHUPAZNDP-QGZVFWFLSA-N 1 2 333.378 3.732 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507683513 1021441285 /nfs/dbraw/zinc/44/12/85/1021441285.db2.gz LBEUXNHUPAZNDP-QGZVFWFLSA-N 1 2 333.378 3.732 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000507701822 1021452916 /nfs/dbraw/zinc/45/29/16/1021452916.db2.gz KVVGXQSVRHZBPB-MRXNPFEDSA-N 1 2 330.497 3.678 20 0 EHADLO Cn1ccc(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000425672768 1021457175 /nfs/dbraw/zinc/45/71/75/1021457175.db2.gz LLBSBCTUAOXQER-UHFFFAOYSA-N 1 2 349.438 3.547 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000607110516 1032982482 /nfs/dbraw/zinc/98/24/82/1032982482.db2.gz HQQXZGMWXTZZFW-MOPGFXCFSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000505938052 1021494179 /nfs/dbraw/zinc/49/41/79/1021494179.db2.gz JUJGHDPYVISBDG-GUDVDZBRSA-N 1 2 341.499 3.905 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(Cl)ccc1Cl ZINC000839132361 1021501347 /nfs/dbraw/zinc/50/13/47/1021501347.db2.gz NKPOZKVMWNZFNK-UHFFFAOYSA-N 1 2 327.259 3.780 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(Cl)ccc1Cl ZINC000839132361 1021501363 /nfs/dbraw/zinc/50/13/63/1021501363.db2.gz NKPOZKVMWNZFNK-UHFFFAOYSA-N 1 2 327.259 3.780 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000439525589 1021511190 /nfs/dbraw/zinc/51/11/90/1021511190.db2.gz ZBIMDYUWOIZZEW-NUJGCVRESA-N 1 2 345.487 3.638 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCc2ccccc21 ZINC000341356772 1021518893 /nfs/dbraw/zinc/51/88/93/1021518893.db2.gz YBYJUWQMDOXYMF-MOPGFXCFSA-N 1 2 331.419 3.735 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCCCS3)n2)CC1 ZINC000341357132 1021519638 /nfs/dbraw/zinc/51/96/38/1021519638.db2.gz CGZVMNJIHVJDIR-CQSZACIVSA-N 1 2 339.530 3.599 20 0 EHADLO Cc1nc([C@H]([NH2+]CCC2CCOCC2)c2ccc(Cl)cc2)no1 ZINC000638855092 1021521608 /nfs/dbraw/zinc/52/16/08/1021521608.db2.gz USXJKDJLDISJAW-MRXNPFEDSA-N 1 2 335.835 3.527 20 0 EHADLO CCc1ccnc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000516584323 1021572824 /nfs/dbraw/zinc/57/28/24/1021572824.db2.gz VZUSSOCOPZZOIA-INIZCTEOSA-N 1 2 342.830 3.998 20 0 EHADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCCC1 ZINC000079025521 1021633191 /nfs/dbraw/zinc/63/31/91/1021633191.db2.gz LAYIPVYWYPOYQZ-UHFFFAOYSA-N 1 2 340.471 3.796 20 0 EHADLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cc(Cl)ccc1OC(F)F ZINC000933393578 1021649686 /nfs/dbraw/zinc/64/96/86/1021649686.db2.gz AYUVYUAROKTKPZ-UHFFFAOYSA-N 1 2 328.746 3.674 20 0 EHADLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cc(Cl)ccc1OC(F)F ZINC000933393578 1021649694 /nfs/dbraw/zinc/64/96/94/1021649694.db2.gz AYUVYUAROKTKPZ-UHFFFAOYSA-N 1 2 328.746 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000426475669 1021666128 /nfs/dbraw/zinc/66/61/28/1021666128.db2.gz YXRSBJNZVTYIEM-SWLSCSKDSA-N 1 2 337.261 3.570 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000426475669 1021666132 /nfs/dbraw/zinc/66/61/32/1021666132.db2.gz YXRSBJNZVTYIEM-SWLSCSKDSA-N 1 2 337.261 3.570 20 0 EHADLO c1ccc(N2CCN(c3ncnc4sc5ccccc5c43)CC2)[nH+]c1 ZINC000440641872 1021684819 /nfs/dbraw/zinc/68/48/19/1021684819.db2.gz BUEFOMWLRXXFSN-UHFFFAOYSA-N 1 2 347.447 3.566 20 0 EHADLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000506008943 1021688248 /nfs/dbraw/zinc/68/82/48/1021688248.db2.gz GLPVAYGREFWPRP-IBGZPJMESA-N 1 2 348.471 3.827 20 0 EHADLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000506008943 1021688254 /nfs/dbraw/zinc/68/82/54/1021688254.db2.gz GLPVAYGREFWPRP-IBGZPJMESA-N 1 2 348.471 3.827 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000440716339 1021738247 /nfs/dbraw/zinc/73/82/47/1021738247.db2.gz MRUBVTATSDOHIS-VQIMIIECSA-N 1 2 335.451 3.514 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)c1ccc(F)cc1F)CC3 ZINC000729480628 1021741309 /nfs/dbraw/zinc/74/13/09/1021741309.db2.gz KEDWPQWFSJBTHK-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC3 ZINC000729480628 1021741321 /nfs/dbraw/zinc/74/13/21/1021741321.db2.gz KEDWPQWFSJBTHK-FQEVSTJZSA-N 1 2 342.389 3.846 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000518995652 1021742518 /nfs/dbraw/zinc/74/25/18/1021742518.db2.gz DSAVJYIQGJINHU-YVEFUNNKSA-N 1 2 346.862 3.749 20 0 EHADLO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc(Cc2c[nH+]cn2C)n1 ZINC000519037866 1021791370 /nfs/dbraw/zinc/79/13/70/1021791370.db2.gz OHKMFVIVKXUIRH-UHFFFAOYSA-N 1 2 338.455 3.899 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440821210 1021791840 /nfs/dbraw/zinc/79/18/40/1021791840.db2.gz AAXZIRUMOVRCFA-IEZWGBDMSA-N 1 2 342.487 3.975 20 0 EHADLO CO[C@H](c1nc(Cc2cn3cccc(C)c3[nH+]2)no1)C1CCCCC1 ZINC000664777686 1021852789 /nfs/dbraw/zinc/85/27/89/1021852789.db2.gz QGLCEGPMHVEQBK-KRWDZBQOSA-N 1 2 340.427 3.884 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000520009787 1021856032 /nfs/dbraw/zinc/85/60/32/1021856032.db2.gz PXHLISKKQCKSQE-MRXNPFEDSA-N 1 2 340.471 3.549 20 0 EHADLO Cc1nn(C)c(C[NH+]2CCC(OCc3ccccc3)CC2)c1Cl ZINC000891537832 1021865968 /nfs/dbraw/zinc/86/59/68/1021865968.db2.gz WSEPJTXAPWLRJM-UHFFFAOYSA-N 1 2 333.863 3.563 20 0 EHADLO Cc1ccccc1-c1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)n1 ZINC000933494265 1021882023 /nfs/dbraw/zinc/88/20/23/1021882023.db2.gz XXSDCVIFNGUEJL-CQSZACIVSA-N 1 2 335.407 3.831 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1nc2ccccc2s1 ZINC000437519478 1021912854 /nfs/dbraw/zinc/91/28/54/1021912854.db2.gz AGPPNQHRPCREFD-HIFRSBDPSA-N 1 2 347.509 3.595 20 0 EHADLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1nc2ccccc2s1 ZINC000437519478 1021912857 /nfs/dbraw/zinc/91/28/57/1021912857.db2.gz AGPPNQHRPCREFD-HIFRSBDPSA-N 1 2 347.509 3.595 20 0 EHADLO COCC[N@H+](Cc1cnc(C(C)C)s1)Cc1scnc1C ZINC000426561613 1021926876 /nfs/dbraw/zinc/92/68/76/1021926876.db2.gz WUMWQSORLIRSOQ-UHFFFAOYSA-N 1 2 325.503 3.680 20 0 EHADLO COCC[N@@H+](Cc1cnc(C(C)C)s1)Cc1scnc1C ZINC000426561613 1021926887 /nfs/dbraw/zinc/92/68/87/1021926887.db2.gz WUMWQSORLIRSOQ-UHFFFAOYSA-N 1 2 325.503 3.680 20 0 EHADLO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(C2CC2)[nH+]1 ZINC000341452352 1021941003 /nfs/dbraw/zinc/94/10/03/1021941003.db2.gz ILALEQMWYBDFQX-UHFFFAOYSA-N 1 2 328.847 3.642 20 0 EHADLO CC1(C)C[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)c2ccccc2O1 ZINC000581871119 1021965742 /nfs/dbraw/zinc/96/57/42/1021965742.db2.gz YUHJUQIQEVOKNR-CQSZACIVSA-N 1 2 325.412 3.503 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCC3CCC3)cn2c1 ZINC000598217044 1033019612 /nfs/dbraw/zinc/01/96/12/1033019612.db2.gz WAFKZWAKJQXNBY-UHFFFAOYSA-N 1 2 331.485 3.572 20 0 EHADLO Cc1nn(-c2ccccc2)cc1CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341465741 1021982073 /nfs/dbraw/zinc/98/20/73/1021982073.db2.gz AOZCGOQWWWNRBU-UHFFFAOYSA-N 1 2 347.466 3.623 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)oc21 ZINC000140053020 1033020179 /nfs/dbraw/zinc/02/01/79/1033020179.db2.gz MIYWWERVGIIBDX-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)o1 ZINC000506085590 1022020242 /nfs/dbraw/zinc/02/02/42/1022020242.db2.gz INGIKXUQYGDSQT-UHFFFAOYSA-N 1 2 344.430 3.694 20 0 EHADLO Cc1cc(NCc2cc(F)ccc2Br)nc(C2CC2)[nH+]1 ZINC000341495607 1022025387 /nfs/dbraw/zinc/02/53/87/1022025387.db2.gz HLORIFQZNUHUOG-UHFFFAOYSA-N 1 2 336.208 3.598 20 0 EHADLO Cc1nsc(C)c1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000426607435 1022029629 /nfs/dbraw/zinc/02/96/29/1022029629.db2.gz HVTVRMRDVZZVCP-UHFFFAOYSA-N 1 2 337.408 3.722 20 0 EHADLO Cc1cc(NCc2ccc(Br)c(F)c2)nc(C2CC2)[nH+]1 ZINC000341498766 1022039186 /nfs/dbraw/zinc/03/91/86/1022039186.db2.gz LUUJZENOFVETKH-UHFFFAOYSA-N 1 2 336.208 3.598 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000441193908 1022047607 /nfs/dbraw/zinc/04/76/07/1022047607.db2.gz IRAQTYYPJKJFPF-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000441193908 1022047618 /nfs/dbraw/zinc/04/76/18/1022047618.db2.gz IRAQTYYPJKJFPF-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO COc1ccccc1-c1cc(CNc2cc(C)[nH+]c(C3CC3)n2)on1 ZINC000664652906 1022095746 /nfs/dbraw/zinc/09/57/46/1022095746.db2.gz CZKXKORRRHXIPQ-UHFFFAOYSA-N 1 2 336.395 3.938 20 0 EHADLO COc1ccnc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000441336596 1022157520 /nfs/dbraw/zinc/15/75/20/1022157520.db2.gz PIVIQKYMAOYHND-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO CCCC[C@@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000441363007 1022187660 /nfs/dbraw/zinc/18/76/60/1022187660.db2.gz INUBRHMPTMWTNK-RTBURBONSA-N 1 2 343.471 3.563 20 0 EHADLO COc1nccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1F ZINC000894913553 1022240583 /nfs/dbraw/zinc/24/05/83/1022240583.db2.gz QFHVBKPJMCWTFA-GOSISDBHSA-N 1 2 342.414 3.583 20 0 EHADLO COc1nccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1F ZINC000894913553 1022240588 /nfs/dbraw/zinc/24/05/88/1022240588.db2.gz QFHVBKPJMCWTFA-GOSISDBHSA-N 1 2 342.414 3.583 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000437904430 1022246938 /nfs/dbraw/zinc/24/69/38/1022246938.db2.gz NYIKZISJKMVTHT-SFHVURJKSA-N 1 2 339.483 3.648 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000437904430 1022246949 /nfs/dbraw/zinc/24/69/49/1022246949.db2.gz NYIKZISJKMVTHT-SFHVURJKSA-N 1 2 339.483 3.648 20 0 EHADLO CC(C)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C(C)C)c1 ZINC000046007445 1022251874 /nfs/dbraw/zinc/25/18/74/1022251874.db2.gz ZIVDOJPHUNUTOW-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO CC(C)C(C)(C)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000437926621 1022270927 /nfs/dbraw/zinc/27/09/27/1022270927.db2.gz NLUSSLIKOHDSLC-UHFFFAOYSA-N 1 2 338.521 3.933 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1C ZINC000473911617 1022272199 /nfs/dbraw/zinc/27/21/99/1022272199.db2.gz PMJBZJKETNOREM-QGZVFWFLSA-N 1 2 340.442 3.962 20 0 EHADLO CCO[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000471804152 1022285900 /nfs/dbraw/zinc/28/59/00/1022285900.db2.gz KZELWKAJIGRGNP-HNNXBMFYSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)n1cc[nH+]c1 ZINC000519534491 1022301974 /nfs/dbraw/zinc/30/19/74/1022301974.db2.gz CWFNVVGMQJDMBK-LBPRGKRZSA-N 1 2 347.390 3.567 20 0 EHADLO C[C@H](Nc1c(Br)ccc2[nH+]ccn21)c1ccc(F)cn1 ZINC001167489216 1022303461 /nfs/dbraw/zinc/30/34/61/1022303461.db2.gz JMWPOHGHKZFYOF-VIFPVBQESA-N 1 2 335.180 3.804 20 0 EHADLO C[C@@H](C1CCC1)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458873142 1022314843 /nfs/dbraw/zinc/31/48/43/1022314843.db2.gz BVAMPPXAFBYOPF-ZDUSSCGKSA-N 1 2 346.862 3.856 20 0 EHADLO Cc1ccc(C)c(N2CC[NH+](Cc3nc4cccnc4s3)CC2)c1 ZINC000341571815 1022354473 /nfs/dbraw/zinc/35/44/73/1022354473.db2.gz ZCRGFINKSJVFRS-UHFFFAOYSA-N 1 2 338.480 3.630 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000581916841 1022385018 /nfs/dbraw/zinc/38/50/18/1022385018.db2.gz XEZFTEUUIIDVDX-UHFFFAOYSA-N 1 2 329.831 3.985 20 0 EHADLO O=C(/C=C/SCc1ccco1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000084967852 1022389387 /nfs/dbraw/zinc/38/93/87/1022389387.db2.gz QNQFSZAYSKREHF-YRNVUSSQSA-N 1 2 325.393 3.851 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cnn(CC3CCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000895018650 1022404046 /nfs/dbraw/zinc/40/40/46/1022404046.db2.gz QWZHESMNYXEHKD-RTBURBONSA-N 1 2 345.874 3.645 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cnn(CC3CCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000895018650 1022404054 /nfs/dbraw/zinc/40/40/54/1022404054.db2.gz QWZHESMNYXEHKD-RTBURBONSA-N 1 2 345.874 3.645 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC000438126313 1022406544 /nfs/dbraw/zinc/40/65/44/1022406544.db2.gz JPWRQVPQXLVEMN-CVEARBPZSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(Cl)cc1F ZINC000438126313 1022406547 /nfs/dbraw/zinc/40/65/47/1022406547.db2.gz JPWRQVPQXLVEMN-CVEARBPZSA-N 1 2 326.843 3.700 20 0 EHADLO F[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000517536894 1022419864 /nfs/dbraw/zinc/41/98/64/1022419864.db2.gz ZGHDQYFPCRMKBP-UONOGXRCSA-N 1 2 329.206 3.554 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051201044 1022430184 /nfs/dbraw/zinc/43/01/84/1022430184.db2.gz QXMOAZDQWCZUHW-INIZCTEOSA-N 1 2 344.480 3.509 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051201044 1022430190 /nfs/dbraw/zinc/43/01/90/1022430190.db2.gz QXMOAZDQWCZUHW-INIZCTEOSA-N 1 2 344.480 3.509 20 0 EHADLO COc1cc(F)c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c(Cl)c1 ZINC001125545529 1022453218 /nfs/dbraw/zinc/45/32/18/1022453218.db2.gz IWUPWPSWQCYZQE-UHFFFAOYSA-N 1 2 333.750 3.696 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000647951616 1022459516 /nfs/dbraw/zinc/45/95/16/1022459516.db2.gz LGXFCBNILSIHCU-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000647951616 1022459527 /nfs/dbraw/zinc/45/95/27/1022459527.db2.gz LGXFCBNILSIHCU-KRWDZBQOSA-N 1 2 335.451 3.815 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828008 1022509902 /nfs/dbraw/zinc/50/99/02/1022509902.db2.gz AZIDQVBMIGJEAO-NXHRZFHOSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828008 1022509905 /nfs/dbraw/zinc/50/99/05/1022509905.db2.gz AZIDQVBMIGJEAO-NXHRZFHOSA-N 1 2 329.488 3.644 20 0 EHADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049412199 1022543698 /nfs/dbraw/zinc/54/36/98/1022543698.db2.gz WVTNVLSXCXTBMK-UHFFFAOYSA-N 1 2 336.460 3.859 20 0 EHADLO Cc1ccc(C(=O)N(C)C)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438310441 1022551088 /nfs/dbraw/zinc/55/10/88/1022551088.db2.gz BIOPWIKAUWIYMS-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccn2)C1 ZINC000438361170 1022591537 /nfs/dbraw/zinc/59/15/37/1022591537.db2.gz AOHWODJHFBJSCN-CQSZACIVSA-N 1 2 347.422 3.570 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664834640 1022602990 /nfs/dbraw/zinc/60/29/90/1022602990.db2.gz YLONGIQBINONPM-IRXDYDNUSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664834640 1022602992 /nfs/dbraw/zinc/60/29/92/1022602992.db2.gz YLONGIQBINONPM-IRXDYDNUSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664834638 1022603296 /nfs/dbraw/zinc/60/32/96/1022603296.db2.gz YLONGIQBINONPM-IAGOWNOFSA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664834638 1022603306 /nfs/dbraw/zinc/60/33/06/1022603306.db2.gz YLONGIQBINONPM-IAGOWNOFSA-N 1 2 329.488 3.502 20 0 EHADLO CCC/C=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000664999991 1022619115 /nfs/dbraw/zinc/61/91/15/1022619115.db2.gz GLDUFOUOSFOUSZ-JQUABVIOSA-N 1 2 327.428 3.845 20 0 EHADLO CCC/C=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000664999991 1022619124 /nfs/dbraw/zinc/61/91/24/1022619124.db2.gz GLDUFOUOSFOUSZ-JQUABVIOSA-N 1 2 327.428 3.845 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000063176221 1033067962 /nfs/dbraw/zinc/06/79/62/1033067962.db2.gz INBYMODEQYFVAL-UHFFFAOYSA-N 1 2 340.427 3.806 20 0 EHADLO CCc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000101665647 1022639886 /nfs/dbraw/zinc/63/98/86/1022639886.db2.gz ROALNOTZFCSMOY-UHFFFAOYSA-N 1 2 332.816 3.797 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1CCCC1 ZINC000664835094 1022641525 /nfs/dbraw/zinc/64/15/25/1022641525.db2.gz YPAVNTODGRMCKZ-IBGZPJMESA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1CCCC1 ZINC000664835094 1022641531 /nfs/dbraw/zinc/64/15/31/1022641531.db2.gz YPAVNTODGRMCKZ-IBGZPJMESA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)C1CCCC1 ZINC000664835097 1022643007 /nfs/dbraw/zinc/64/30/07/1022643007.db2.gz YPAVNTODGRMCKZ-LJQANCHMSA-N 1 2 329.488 3.644 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)C1CCCC1 ZINC000664835097 1022643022 /nfs/dbraw/zinc/64/30/22/1022643022.db2.gz YPAVNTODGRMCKZ-LJQANCHMSA-N 1 2 329.488 3.644 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664836388 1022657232 /nfs/dbraw/zinc/65/72/32/1022657232.db2.gz JOQPRZSOCJWPBE-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000664836388 1022657236 /nfs/dbraw/zinc/65/72/36/1022657236.db2.gz JOQPRZSOCJWPBE-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CC3CCCC3)n2)O1 ZINC000665007191 1022666436 /nfs/dbraw/zinc/66/64/36/1022666436.db2.gz IYVRQTAMJARKHA-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CC3CCCC3)n2)O1 ZINC000665007191 1022666446 /nfs/dbraw/zinc/66/64/46/1022666446.db2.gz IYVRQTAMJARKHA-QAPCUYQASA-N 1 2 341.455 3.764 20 0 EHADLO Cc1ccc(SC2(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CCCC2)cc1 ZINC000430763256 1022666292 /nfs/dbraw/zinc/66/62/92/1022666292.db2.gz AKHPNJMDDMSCIQ-INIZCTEOSA-N 1 2 343.496 3.801 20 0 EHADLO COc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)cc1C ZINC000517788777 1022668003 /nfs/dbraw/zinc/66/80/03/1022668003.db2.gz BVVLQJZNYIOTNJ-UHFFFAOYSA-N 1 2 349.434 3.738 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(C(C)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000292931532 1022670026 /nfs/dbraw/zinc/67/00/26/1022670026.db2.gz XBJFYKYURCYTGF-CJNGLKHVSA-N 1 2 333.382 3.718 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000510568078 1022691278 /nfs/dbraw/zinc/69/12/78/1022691278.db2.gz DWOCOFQTNZLSNF-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000510568078 1022691288 /nfs/dbraw/zinc/69/12/88/1022691288.db2.gz DWOCOFQTNZLSNF-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1Br ZINC000449706420 1033080315 /nfs/dbraw/zinc/08/03/15/1033080315.db2.gz NDKXHMWYWPLXGL-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO CCc1c(NC2CCN(c3cccc[nH+]3)CC2)cnn1CCC(C)C ZINC000426073362 1022838351 /nfs/dbraw/zinc/83/83/51/1022838351.db2.gz ABLIYEFNRNXTCH-UHFFFAOYSA-N 1 2 341.503 3.968 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000517941776 1022868415 /nfs/dbraw/zinc/86/84/15/1022868415.db2.gz AMGOIDLFPOABSL-SFHVURJKSA-N 1 2 343.430 3.655 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2CCC[C@@H]21 ZINC000426092296 1022886384 /nfs/dbraw/zinc/88/63/84/1022886384.db2.gz QMYNXDWNQHXSQT-HIFRSBDPSA-N 1 2 334.489 3.535 20 0 EHADLO CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000113121491 1022977610 /nfs/dbraw/zinc/97/76/10/1022977610.db2.gz JUTITDQYEHTKCX-UHFFFAOYSA-N 1 2 339.826 3.840 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426719438 1022985633 /nfs/dbraw/zinc/98/56/33/1022985633.db2.gz GQIWLCRBDLHVSP-GOSISDBHSA-N 1 2 346.425 3.839 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)n1 ZINC000891838027 1023015329 /nfs/dbraw/zinc/01/53/29/1023015329.db2.gz MOWRFOFKCJKTQH-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CCO1 ZINC000506372591 1023024597 /nfs/dbraw/zinc/02/45/97/1023024597.db2.gz WSEXONVSQRYWEV-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CCO1 ZINC000506372591 1023024611 /nfs/dbraw/zinc/02/46/11/1023024611.db2.gz WSEXONVSQRYWEV-LJQANCHMSA-N 1 2 341.451 3.885 20 0 EHADLO CCOc1c(Cl)cccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000426170051 1023032856 /nfs/dbraw/zinc/03/28/56/1023032856.db2.gz LLIFYXJWZLSBOS-UHFFFAOYSA-N 1 2 337.769 3.628 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC(C)C)c(C)c1 ZINC000506375989 1023032936 /nfs/dbraw/zinc/03/29/36/1023032936.db2.gz XPXHEZYMSPMESK-HKUYNNGSSA-N 1 2 342.487 3.975 20 0 EHADLO CC(C)C(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000438840168 1023056551 /nfs/dbraw/zinc/05/65/51/1023056551.db2.gz NBYNQDPERYWSRY-UHFFFAOYSA-N 1 2 329.444 3.502 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C(C)=C/c1ccccc1COC ZINC000506978356 1023057741 /nfs/dbraw/zinc/05/77/41/1023057741.db2.gz HFGGKNMIFKHKSB-XAVZPLJISA-N 1 2 331.456 3.654 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1C/C(C)=C/c1ccccc1COC ZINC000506978356 1023057756 /nfs/dbraw/zinc/05/77/56/1023057756.db2.gz HFGGKNMIFKHKSB-XAVZPLJISA-N 1 2 331.456 3.654 20 0 EHADLO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000253586344 1023126838 /nfs/dbraw/zinc/12/68/38/1023126838.db2.gz OMTYGUQWZQKQNZ-KZULUSFZSA-N 1 2 349.500 3.559 20 0 EHADLO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000253586344 1023126845 /nfs/dbraw/zinc/12/68/45/1023126845.db2.gz OMTYGUQWZQKQNZ-KZULUSFZSA-N 1 2 349.500 3.559 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894118 1023144228 /nfs/dbraw/zinc/14/42/28/1023144228.db2.gz SZDGINLOELJABJ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894118 1023144234 /nfs/dbraw/zinc/14/42/34/1023144234.db2.gz SZDGINLOELJABJ-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO CCOc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)o1 ZINC000891870561 1023155611 /nfs/dbraw/zinc/15/56/11/1023155611.db2.gz CSFHCUNTPGEKRQ-LJQANCHMSA-N 1 2 343.402 3.772 20 0 EHADLO CCOc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)o1 ZINC000891870561 1023155616 /nfs/dbraw/zinc/15/56/16/1023155616.db2.gz CSFHCUNTPGEKRQ-LJQANCHMSA-N 1 2 343.402 3.772 20 0 EHADLO C[C@@H](CN[C@H]1CCCc2scnc21)[N@@H+]1CCc2ccccc2C1 ZINC000623875572 1023156171 /nfs/dbraw/zinc/15/61/71/1023156171.db2.gz OBUIHYZMEQRTFG-YOEHRIQHSA-N 1 2 327.497 3.557 20 0 EHADLO C[C@@H](CN[C@H]1CCCc2scnc21)[N@H+]1CCc2ccccc2C1 ZINC000623875572 1023156174 /nfs/dbraw/zinc/15/61/74/1023156174.db2.gz OBUIHYZMEQRTFG-YOEHRIQHSA-N 1 2 327.497 3.557 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000427001979 1023160631 /nfs/dbraw/zinc/16/06/31/1023160631.db2.gz MICHZRYNJLEDMB-HZPDHXFCSA-N 1 2 348.437 3.792 20 0 EHADLO O=C(C[C@@H]1C=CCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000427001979 1023160636 /nfs/dbraw/zinc/16/06/36/1023160636.db2.gz MICHZRYNJLEDMB-HZPDHXFCSA-N 1 2 348.437 3.792 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000438946780 1023163845 /nfs/dbraw/zinc/16/38/45/1023163845.db2.gz KSXORQJFHWATSG-FPOVZHCZSA-N 1 2 329.403 3.715 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](CC)Cc2c[nH]c3ccccc23)n1 ZINC000190505954 1023210300 /nfs/dbraw/zinc/21/03/00/1023210300.db2.gz HKMFWYNMXSQUSJ-ZDUSSCGKSA-N 1 2 328.416 3.671 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](CC)Cc2c[nH]c3ccccc23)n1 ZINC000190505954 1023210306 /nfs/dbraw/zinc/21/03/06/1023210306.db2.gz HKMFWYNMXSQUSJ-ZDUSSCGKSA-N 1 2 328.416 3.671 20 0 EHADLO CC1(C)C(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1(C)C ZINC001270425635 1023210345 /nfs/dbraw/zinc/21/03/45/1023210345.db2.gz HOJACBKFZOVTSF-KRWDZBQOSA-N 1 2 346.540 3.575 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)[NH+]1CCSCC1 ZINC000131057076 1023214044 /nfs/dbraw/zinc/21/40/44/1023214044.db2.gz VUOGVHVPPDUFMK-LBPRGKRZSA-N 1 2 347.484 3.501 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000507276368 1023219043 /nfs/dbraw/zinc/21/90/43/1023219043.db2.gz WLVFCVDBLRHEPW-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000507276368 1023219053 /nfs/dbraw/zinc/21/90/53/1023219053.db2.gz WLVFCVDBLRHEPW-GOSISDBHSA-N 1 2 344.842 3.524 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C)ccc1OC ZINC000198396827 1033114692 /nfs/dbraw/zinc/11/46/92/1033114692.db2.gz STCQNGMOFGRWIO-UHFFFAOYSA-N 1 2 348.393 3.742 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C)ccc1OC ZINC000198396827 1033114701 /nfs/dbraw/zinc/11/47/01/1033114701.db2.gz STCQNGMOFGRWIO-UHFFFAOYSA-N 1 2 348.393 3.742 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866690 1023249350 /nfs/dbraw/zinc/24/93/50/1023249350.db2.gz OVAMSDOOIROPCZ-UHFFFAOYSA-N 1 2 343.862 3.534 20 0 EHADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866690 1023249357 /nfs/dbraw/zinc/24/93/57/1023249357.db2.gz OVAMSDOOIROPCZ-UHFFFAOYSA-N 1 2 343.862 3.534 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2Cc3ccccc32)c(C)c1 ZINC000441494147 1023258671 /nfs/dbraw/zinc/25/86/71/1023258671.db2.gz VFAYNNNBZSATSP-RTWAWAEBSA-N 1 2 345.446 3.697 20 0 EHADLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)n1 ZINC000190568024 1023304014 /nfs/dbraw/zinc/30/40/14/1023304014.db2.gz XOAWCLJORSATBA-CQSZACIVSA-N 1 2 329.444 3.995 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000341777624 1023305197 /nfs/dbraw/zinc/30/51/97/1023305197.db2.gz NDDHPUPVWOYPPM-LPHOPBHVSA-N 1 2 339.483 3.738 20 0 EHADLO COc1cc(C)ccc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449400830 1023431533 /nfs/dbraw/zinc/43/15/33/1023431533.db2.gz KFOPUOBVKJJNEP-UHFFFAOYSA-N 1 2 341.274 3.821 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000054546665 1033140857 /nfs/dbraw/zinc/14/08/57/1033140857.db2.gz SVEDCHZPDGDEGI-INIZCTEOSA-N 1 2 346.475 3.632 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000054546665 1033140868 /nfs/dbraw/zinc/14/08/68/1033140868.db2.gz SVEDCHZPDGDEGI-INIZCTEOSA-N 1 2 346.475 3.632 20 0 EHADLO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000054546662 1033142306 /nfs/dbraw/zinc/14/23/06/1033142306.db2.gz SVEDCHZPDGDEGI-MRXNPFEDSA-N 1 2 346.475 3.632 20 0 EHADLO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000054546662 1033142313 /nfs/dbraw/zinc/14/23/13/1033142313.db2.gz SVEDCHZPDGDEGI-MRXNPFEDSA-N 1 2 346.475 3.632 20 0 EHADLO CC1CCC(OC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)CC1 ZINC000535720380 1023590702 /nfs/dbraw/zinc/59/07/02/1023590702.db2.gz HVPJJCHBGYBUIC-UHFFFAOYSA-N 1 2 340.471 3.606 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458123287 1023591671 /nfs/dbraw/zinc/59/16/71/1023591671.db2.gz JPAXZYFSCHWFSV-AZUAARDMSA-N 1 2 349.478 3.980 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(Cl)c3ccccc23)c(C)c[nH+]1 ZINC000535748109 1023605114 /nfs/dbraw/zinc/60/51/14/1023605114.db2.gz QBFUNBIDCQBNBW-UHFFFAOYSA-N 1 2 340.810 3.944 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)c(C)c[nH+]1 ZINC000535773097 1023624302 /nfs/dbraw/zinc/62/43/02/1023624302.db2.gz MNQWAKYGRZKULB-HNNXBMFYSA-N 1 2 327.428 3.790 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)s1 ZINC000602773801 1033149984 /nfs/dbraw/zinc/14/99/84/1033149984.db2.gz VVRRTUXEBCINGE-OAHLLOKOSA-N 1 2 346.452 3.666 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)s1 ZINC000602773801 1033149992 /nfs/dbraw/zinc/14/99/92/1033149992.db2.gz VVRRTUXEBCINGE-OAHLLOKOSA-N 1 2 346.452 3.666 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761043133 1033150671 /nfs/dbraw/zinc/15/06/71/1033150671.db2.gz VAMYKCDWSDIBHS-CYBMUJFWSA-N 1 2 325.334 3.683 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761043133 1033150681 /nfs/dbraw/zinc/15/06/81/1033150681.db2.gz VAMYKCDWSDIBHS-CYBMUJFWSA-N 1 2 325.334 3.683 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000934045243 1023688746 /nfs/dbraw/zinc/68/87/46/1023688746.db2.gz BTWZEIFQGLBNSK-UHFFFAOYSA-N 1 2 342.443 3.929 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000610861985 1023817793 /nfs/dbraw/zinc/81/77/93/1023817793.db2.gz RTXPSBQMVDKTBW-UHFFFAOYSA-N 1 2 343.452 3.655 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000684616920 1023841063 /nfs/dbraw/zinc/84/10/63/1023841063.db2.gz GZBINAWSEQCVHT-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000684616920 1023841074 /nfs/dbraw/zinc/84/10/74/1023841074.db2.gz GZBINAWSEQCVHT-CYBMUJFWSA-N 1 2 337.769 3.892 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@H+]2CC=C(c3cccc(C)c3)CC2)n1 ZINC000602796266 1033169062 /nfs/dbraw/zinc/16/90/62/1033169062.db2.gz DXNDMOJNZHEFTK-AWEZNQCLSA-N 1 2 326.396 3.620 20 0 EHADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC=C(c3cccc(C)c3)CC2)n1 ZINC000602796266 1033169070 /nfs/dbraw/zinc/16/90/70/1033169070.db2.gz DXNDMOJNZHEFTK-AWEZNQCLSA-N 1 2 326.396 3.620 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC=C(c3cccc(C)c3)CC2)n1 ZINC000602796278 1033169470 /nfs/dbraw/zinc/16/94/70/1033169470.db2.gz DXNDMOJNZHEFTK-CQSZACIVSA-N 1 2 326.396 3.620 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC=C(c3cccc(C)c3)CC2)n1 ZINC000602796278 1033169483 /nfs/dbraw/zinc/16/94/83/1033169483.db2.gz DXNDMOJNZHEFTK-CQSZACIVSA-N 1 2 326.396 3.620 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468405 1033174886 /nfs/dbraw/zinc/17/48/86/1033174886.db2.gz SSXGNXMXASFPCY-INIZCTEOSA-N 1 2 348.422 3.657 20 0 EHADLO CCc1ccc(C2=CC[N@@H+]([C@@H](C)c3nc(C(=O)OC)co3)CC2)cc1 ZINC000602797257 1033170159 /nfs/dbraw/zinc/17/01/59/1033170159.db2.gz JOLZTYBYNRPGAU-AWEZNQCLSA-N 1 2 340.423 3.874 20 0 EHADLO CCc1ccc(C2=CC[N@H+]([C@@H](C)c3nc(C(=O)OC)co3)CC2)cc1 ZINC000602797257 1033170163 /nfs/dbraw/zinc/17/01/63/1033170163.db2.gz JOLZTYBYNRPGAU-AWEZNQCLSA-N 1 2 340.423 3.874 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(F)(F)CC1 ZINC000684623804 1023898313 /nfs/dbraw/zinc/89/83/13/1023898313.db2.gz ICEDAUAKKFEVKL-QWHCGFSZSA-N 1 2 336.382 3.730 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1F ZINC000046469592 1033175707 /nfs/dbraw/zinc/17/57/07/1033175707.db2.gz SEFHKFWPTUTQRM-CQSZACIVSA-N 1 2 338.814 3.912 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1Cl ZINC000192254992 1023961767 /nfs/dbraw/zinc/96/17/67/1023961767.db2.gz XUUZBKHKCLRTAY-UHFFFAOYSA-N 1 2 348.878 3.721 20 0 EHADLO C[C@@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)CC(C)(C)C ZINC000434355586 1023971806 /nfs/dbraw/zinc/97/18/06/1023971806.db2.gz OMDCZIREICHBJV-DOTOQJQBSA-N 1 2 333.476 3.707 20 0 EHADLO c1ccc(NCc2ccnc3ccccc23)c(C[NH+]2CCOCC2)c1 ZINC000520502899 1024005727 /nfs/dbraw/zinc/00/57/27/1024005727.db2.gz KIKQBIIRUPLOQB-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000574454083 1033175387 /nfs/dbraw/zinc/17/53/87/1033175387.db2.gz OXJDSHHXBYKHDU-WOJBJXKFSA-N 1 2 342.483 3.674 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1cc(C)ccc1C ZINC000475022095 1024029515 /nfs/dbraw/zinc/02/95/15/1024029515.db2.gz HMVCZKYTVWMOKZ-UHFFFAOYSA-N 1 2 343.377 3.903 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1Cl ZINC000574463925 1033183025 /nfs/dbraw/zinc/18/30/25/1033183025.db2.gz VYSZBJDNHOFBIY-VHSXEESVSA-N 1 2 326.227 3.773 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1Cl ZINC000574463925 1033183033 /nfs/dbraw/zinc/18/30/33/1033183033.db2.gz VYSZBJDNHOFBIY-VHSXEESVSA-N 1 2 326.227 3.773 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514001747 1024044367 /nfs/dbraw/zinc/04/43/67/1024044367.db2.gz NKEBJACTRAVCAZ-IBGZPJMESA-N 1 2 342.870 3.754 20 0 EHADLO CCOc1c(C[NH+]2CC(C)(C)OC(C)(C)C2)c(C)nn1CC(C)C ZINC000443852060 1024052800 /nfs/dbraw/zinc/05/28/00/1024052800.db2.gz FTVZXAPHOMVGCT-UHFFFAOYSA-N 1 2 337.508 3.636 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(F)c1F ZINC001143592463 1024055619 /nfs/dbraw/zinc/05/56/19/1024055619.db2.gz RWGBVUTVXKUWHT-GOSISDBHSA-N 1 2 330.422 3.980 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(F)c1F ZINC001143592463 1024055638 /nfs/dbraw/zinc/05/56/38/1024055638.db2.gz RWGBVUTVXKUWHT-GOSISDBHSA-N 1 2 330.422 3.980 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000181583812 1024057031 /nfs/dbraw/zinc/05/70/31/1024057031.db2.gz AAYRGTLYOKPPAS-UHFFFAOYSA-N 1 2 347.846 3.756 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000507775880 1024074959 /nfs/dbraw/zinc/07/49/59/1024074959.db2.gz MCJWSGMFUOIIGC-INIZCTEOSA-N 1 2 341.329 3.961 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000507775880 1024074977 /nfs/dbraw/zinc/07/49/77/1024074977.db2.gz MCJWSGMFUOIIGC-INIZCTEOSA-N 1 2 341.329 3.961 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccccc1F ZINC000434492983 1024081709 /nfs/dbraw/zinc/08/17/09/1024081709.db2.gz RAMSELPWXNGNPW-UHFFFAOYSA-N 1 2 330.378 3.725 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434509095 1024088946 /nfs/dbraw/zinc/08/89/46/1024088946.db2.gz GLUJQGUHYPCSCI-UHFFFAOYSA-N 1 2 329.469 3.607 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434509095 1024088965 /nfs/dbraw/zinc/08/89/65/1024088965.db2.gz GLUJQGUHYPCSCI-UHFFFAOYSA-N 1 2 329.469 3.607 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000151474910 1024114847 /nfs/dbraw/zinc/11/48/47/1024114847.db2.gz WOXJZMQOMNNOMS-MRXNPFEDSA-N 1 2 326.444 3.524 20 0 EHADLO Cc1ccc(CN(CC2CC2)C(=O)NCc2cc(C)[nH+]c(C)c2)cn1 ZINC000645466699 1024134032 /nfs/dbraw/zinc/13/40/32/1024134032.db2.gz QVDHUGIZOUEXDX-UHFFFAOYSA-N 1 2 338.455 3.524 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000514124424 1024154263 /nfs/dbraw/zinc/15/42/63/1024154263.db2.gz ILPDRVGIKCQUSU-INIZCTEOSA-N 1 2 326.440 3.569 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000514124424 1024154276 /nfs/dbraw/zinc/15/42/76/1024154276.db2.gz ILPDRVGIKCQUSU-INIZCTEOSA-N 1 2 326.440 3.569 20 0 EHADLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H](CO)c1ccccc1 ZINC000443621617 1024253175 /nfs/dbraw/zinc/25/31/75/1024253175.db2.gz MOWLSDMWSYIOKG-QGZVFWFLSA-N 1 2 344.361 3.785 20 0 EHADLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H](CO)c1ccccc1 ZINC000443621617 1024253192 /nfs/dbraw/zinc/25/31/92/1024253192.db2.gz MOWLSDMWSYIOKG-QGZVFWFLSA-N 1 2 344.361 3.785 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622839663 1024265138 /nfs/dbraw/zinc/26/51/38/1024265138.db2.gz TUOLWQCOLQRGEJ-AEFFLSMTSA-N 1 2 343.471 3.967 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622839663 1024265146 /nfs/dbraw/zinc/26/51/46/1024265146.db2.gz TUOLWQCOLQRGEJ-AEFFLSMTSA-N 1 2 343.471 3.967 20 0 EHADLO FC(F)(F)[C@@H](C[NH2+]Cc1nc2ccccc2o1)OC1CCCC1 ZINC000639310455 1024306554 /nfs/dbraw/zinc/30/65/54/1024306554.db2.gz XAKIRZYYNAQNOY-CQSZACIVSA-N 1 2 328.334 3.808 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346042332 1024321561 /nfs/dbraw/zinc/32/15/61/1024321561.db2.gz VMAVVDZRRHLQHS-SNVBAGLBSA-N 1 2 343.235 3.743 20 0 EHADLO CC(C)COC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccco1 ZINC000101596905 1024343448 /nfs/dbraw/zinc/34/34/48/1024343448.db2.gz SXGQIQYETBIORM-MRXNPFEDSA-N 1 2 331.412 3.554 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000193878709 1024352316 /nfs/dbraw/zinc/35/23/16/1024352316.db2.gz SMTMKBZIYLOFNO-LLVKDONJSA-N 1 2 337.370 3.515 20 0 EHADLO CC1(C)C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 ZINC000430105516 1024352503 /nfs/dbraw/zinc/35/25/03/1024352503.db2.gz TZIVLPHRLZBYQL-LJQANCHMSA-N 1 2 336.414 3.990 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 ZINC000430105516 1024352518 /nfs/dbraw/zinc/35/25/18/1024352518.db2.gz TZIVLPHRLZBYQL-LJQANCHMSA-N 1 2 336.414 3.990 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522369571 1024363487 /nfs/dbraw/zinc/36/34/87/1024363487.db2.gz JFKIVEJDDLPJOB-IBGZPJMESA-N 1 2 333.435 3.757 20 0 EHADLO Cc1ccc(-c2noc(N3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000895353185 1024368131 /nfs/dbraw/zinc/36/81/31/1024368131.db2.gz LKRTZEFRUQVFAA-UHFFFAOYSA-N 1 2 335.411 3.521 20 0 EHADLO c1n[nH]c([C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C2CCCCC2)n1 ZINC000330253474 1024373217 /nfs/dbraw/zinc/37/32/17/1024373217.db2.gz IXLREFTUOLTXIW-IRXDYDNUSA-N 1 2 332.492 3.898 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnn(CC(F)F)c2)c2ccco2)cc1 ZINC000449783152 1033206366 /nfs/dbraw/zinc/20/63/66/1033206366.db2.gz ZSYIEYMZNAVOEB-GOSISDBHSA-N 1 2 347.365 3.629 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1cn2c(n1)CCCC2 ZINC000926336542 1024384659 /nfs/dbraw/zinc/38/46/59/1024384659.db2.gz GJSCFLIFBSJKEN-VXGBXAGGSA-N 1 2 349.276 3.789 20 0 EHADLO Cc1ccc(CN(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000425192604 1024431271 /nfs/dbraw/zinc/43/12/71/1024431271.db2.gz DULVWZZINQGIOV-QGZVFWFLSA-N 1 2 339.464 3.960 20 0 EHADLO CC(C)c1cnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000897862423 1033211154 /nfs/dbraw/zinc/21/11/54/1033211154.db2.gz HJMLZVRENFVQAX-UHFFFAOYSA-N 1 2 330.453 3.817 20 0 EHADLO CCSCC[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425198341 1024435805 /nfs/dbraw/zinc/43/58/05/1024435805.db2.gz XHINFTSMLYSWKV-ZBFHGGJFSA-N 1 2 331.485 3.580 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)c(C)c1 ZINC000472039399 1024441167 /nfs/dbraw/zinc/44/11/67/1024441167.db2.gz TXKINXOZBXOWMA-SFHVURJKSA-N 1 2 348.450 3.650 20 0 EHADLO C[C@@H]1C[C@H](C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)CC(C)(C)C1 ZINC000505530022 1024444562 /nfs/dbraw/zinc/44/45/62/1024444562.db2.gz MBLFILIIBSVVMC-HFTRVMKXSA-N 1 2 332.463 3.761 20 0 EHADLO Cc1nc(N2CCC(c3ccc(F)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000895108391 1024454152 /nfs/dbraw/zinc/45/41/52/1024454152.db2.gz FASIQMOWBNFBCR-UHFFFAOYSA-N 1 2 326.419 3.582 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)s1)C[C@H]1COc2ccccc2O1 ZINC000346166753 1024480158 /nfs/dbraw/zinc/48/01/58/1024480158.db2.gz GHKYIHAWRNSHMH-AWEZNQCLSA-N 1 2 332.469 3.928 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)s1)C[C@H]1COc2ccccc2O1 ZINC000346166753 1024480169 /nfs/dbraw/zinc/48/01/69/1024480169.db2.gz GHKYIHAWRNSHMH-AWEZNQCLSA-N 1 2 332.469 3.928 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc3cc[nH]c32)c1 ZINC000346180091 1024495568 /nfs/dbraw/zinc/49/55/68/1024495568.db2.gz GBZRXPHWFIHDGE-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(SC)c(OC)c2)CCN1CC(F)F ZINC000346212295 1024502384 /nfs/dbraw/zinc/50/23/84/1024502384.db2.gz QBWGBPVIGHIJCO-CQSZACIVSA-N 1 2 344.471 3.578 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(SC)c(OC)c2)CCN1CC(F)F ZINC000346212295 1024502392 /nfs/dbraw/zinc/50/23/92/1024502392.db2.gz QBWGBPVIGHIJCO-CQSZACIVSA-N 1 2 344.471 3.578 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000346192782 1024514134 /nfs/dbraw/zinc/51/41/34/1024514134.db2.gz MVYPJXPIZGQANY-MRXNPFEDSA-N 1 2 340.389 3.855 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000346192782 1024514145 /nfs/dbraw/zinc/51/41/45/1024514145.db2.gz MVYPJXPIZGQANY-MRXNPFEDSA-N 1 2 340.389 3.855 20 0 EHADLO CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280976539 1024516879 /nfs/dbraw/zinc/51/68/79/1024516879.db2.gz KYKZXNKHXOXFIM-UHFFFAOYSA-N 1 2 349.438 3.598 20 0 EHADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1C ZINC000895502585 1024563961 /nfs/dbraw/zinc/56/39/61/1024563961.db2.gz RDKZJLQOAOSVQF-MRXNPFEDSA-N 1 2 335.407 3.727 20 0 EHADLO CCOc1nc2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc2[nH]1 ZINC000346274483 1024563963 /nfs/dbraw/zinc/56/39/63/1024563963.db2.gz FEUULLJITBNVNJ-UHFFFAOYSA-N 1 2 347.378 3.604 20 0 EHADLO Fc1cccc([C@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000277314525 1024565793 /nfs/dbraw/zinc/56/57/93/1024565793.db2.gz CZFCCBJFGKZEIE-MRXNPFEDSA-N 1 2 344.459 3.510 20 0 EHADLO Fc1cccc([C@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000277314525 1024565798 /nfs/dbraw/zinc/56/57/98/1024565798.db2.gz CZFCCBJFGKZEIE-MRXNPFEDSA-N 1 2 344.459 3.510 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccsc1Br ZINC000529536033 1024570634 /nfs/dbraw/zinc/57/06/34/1024570634.db2.gz WUHVMNPFCUSDGF-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccsc1Br ZINC000529536033 1024570643 /nfs/dbraw/zinc/57/06/43/1024570643.db2.gz WUHVMNPFCUSDGF-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761048680 1033221028 /nfs/dbraw/zinc/22/10/28/1033221028.db2.gz NUTMTLPPRRNOKO-CYBMUJFWSA-N 1 2 328.378 3.807 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761048680 1033221044 /nfs/dbraw/zinc/22/10/44/1033221044.db2.gz NUTMTLPPRRNOKO-CYBMUJFWSA-N 1 2 328.378 3.807 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](C)c1ccccc1 ZINC000474211509 1024582774 /nfs/dbraw/zinc/58/27/74/1024582774.db2.gz VKDZMWFAURSBPW-LBPRGKRZSA-N 1 2 343.377 3.543 20 0 EHADLO c1cn(Cc2ccc(-c3cccc(CO[C@H]4CCOC4)c3)cc2)c[nH+]1 ZINC000665211775 1024651704 /nfs/dbraw/zinc/65/17/04/1024651704.db2.gz FURBOIOKNCHYKQ-NRFANRHFSA-N 1 2 334.419 3.904 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1C ZINC000346382010 1024671419 /nfs/dbraw/zinc/67/14/19/1024671419.db2.gz GVSVXZAUSPSIJH-UONOGXRCSA-N 1 2 336.505 3.639 20 0 EHADLO O=C1C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c2ccccc21 ZINC000346383197 1024672247 /nfs/dbraw/zinc/67/22/47/1024672247.db2.gz GUAJZQGAJWCFBS-KRWDZBQOSA-N 1 2 342.358 3.641 20 0 EHADLO COc1cc(CCC2CC[NH+](Cc3cn[nH]c3C)CC2)cc(OC)c1 ZINC000123743242 1024684677 /nfs/dbraw/zinc/68/46/77/1024684677.db2.gz YEWRROPBKVCKSY-UHFFFAOYSA-N 1 2 343.471 3.580 20 0 EHADLO Cc1ccncc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000514706135 1024685379 /nfs/dbraw/zinc/68/53/79/1024685379.db2.gz HXNKSNUAFLRMRZ-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000602879945 1033228980 /nfs/dbraw/zinc/22/89/80/1033228980.db2.gz QHCUJVDZDXGFLH-FQEVSTJZSA-N 1 2 335.455 3.551 20 0 EHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000602879945 1033228991 /nfs/dbraw/zinc/22/89/91/1033228991.db2.gz QHCUJVDZDXGFLH-FQEVSTJZSA-N 1 2 335.455 3.551 20 0 EHADLO CCn1c[nH+]cc1CN1Cc2cc(Br)ccc2C[C@H]1C ZINC000417806154 1024696206 /nfs/dbraw/zinc/69/62/06/1024696206.db2.gz ANIPQSFANMMEJR-GFCCVEGCSA-N 1 2 334.261 3.612 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC[C@@H]1C(F)F ZINC000425317373 1024742359 /nfs/dbraw/zinc/74/23/59/1024742359.db2.gz FRUDWSXKICRLKJ-LSDHHAIUSA-N 1 2 333.382 3.578 20 0 EHADLO CC1(C2CC2)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425318746 1024744915 /nfs/dbraw/zinc/74/49/15/1024744915.db2.gz PCBZAVQTSHIKAA-GOSISDBHSA-N 1 2 337.467 3.970 20 0 EHADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cc(C)cc1F ZINC000425322684 1024760760 /nfs/dbraw/zinc/76/07/60/1024760760.db2.gz IBZCHEZUMAPWEZ-UHFFFAOYSA-N 1 2 346.421 3.997 20 0 EHADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cc(C)cc1F ZINC000425322684 1024760773 /nfs/dbraw/zinc/76/07/73/1024760773.db2.gz IBZCHEZUMAPWEZ-UHFFFAOYSA-N 1 2 346.421 3.997 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 ZINC000173329995 1033237948 /nfs/dbraw/zinc/23/79/48/1033237948.db2.gz NTIZMTQMQXOMIH-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO O[C@@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 ZINC000173329995 1033237957 /nfs/dbraw/zinc/23/79/57/1033237957.db2.gz NTIZMTQMQXOMIH-IBGZPJMESA-N 1 2 326.827 3.913 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@@H](c3cnn(C)c3)C(C)(C)C)o2)c(C)o1 ZINC000342303035 1024789226 /nfs/dbraw/zinc/78/92/26/1024789226.db2.gz OZQPWOFRRCMLCL-INIZCTEOSA-N 1 2 343.431 3.557 20 0 EHADLO C[N@H+](CCCOCc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000281253911 1024789787 /nfs/dbraw/zinc/78/97/87/1024789787.db2.gz DXKGLJHSVPWVIF-UHFFFAOYSA-N 1 2 343.452 3.837 20 0 EHADLO C[N@@H+](CCCOCc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000281253911 1024789797 /nfs/dbraw/zinc/78/97/97/1024789797.db2.gz DXKGLJHSVPWVIF-UHFFFAOYSA-N 1 2 343.452 3.837 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)c1ncco1 ZINC000895766657 1024795407 /nfs/dbraw/zinc/79/54/07/1024795407.db2.gz WJQZOFFFWUNTPU-UFBFGSQYSA-N 1 2 325.181 3.914 20 0 EHADLO Cc1ccc(OCCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000342311669 1024817534 /nfs/dbraw/zinc/81/75/34/1024817534.db2.gz WTTFGPGRZQTEHD-UHFFFAOYSA-N 1 2 345.406 3.615 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1c(F)cncc1F ZINC000353200080 1024823908 /nfs/dbraw/zinc/82/39/08/1024823908.db2.gz AGAXZDSZGMFHKK-SECBINFHSA-N 1 2 347.287 3.547 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000508032287 1024839632 /nfs/dbraw/zinc/83/96/32/1024839632.db2.gz JUNQCAISRVQSGZ-UHFFFAOYSA-N 1 2 333.435 3.905 20 0 EHADLO CCc1cccc(F)c1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000474377822 1024854532 /nfs/dbraw/zinc/85/45/32/1024854532.db2.gz RRIOFJMYTKMJDY-UHFFFAOYSA-N 1 2 329.341 3.772 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000474377822 1024854543 /nfs/dbraw/zinc/85/45/43/1024854543.db2.gz RRIOFJMYTKMJDY-UHFFFAOYSA-N 1 2 329.341 3.772 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)n1 ZINC000895822785 1024876132 /nfs/dbraw/zinc/87/61/32/1024876132.db2.gz KSUGSPPWKSVJML-NSHDSACASA-N 1 2 344.406 3.648 20 0 EHADLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)n1 ZINC000895822785 1024876147 /nfs/dbraw/zinc/87/61/47/1024876147.db2.gz KSUGSPPWKSVJML-NSHDSACASA-N 1 2 344.406 3.648 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000105048723 1024882753 /nfs/dbraw/zinc/88/27/53/1024882753.db2.gz NUDMGVNDMMXGDG-UHFFFAOYSA-N 1 2 338.864 3.860 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346553129 1024893296 /nfs/dbraw/zinc/89/32/96/1024893296.db2.gz BRIPOWXQEJDHIN-KRWDZBQOSA-N 1 2 333.395 3.654 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccccc1 ZINC000346553129 1024893312 /nfs/dbraw/zinc/89/33/12/1024893312.db2.gz BRIPOWXQEJDHIN-KRWDZBQOSA-N 1 2 333.395 3.654 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428003624 1024922735 /nfs/dbraw/zinc/92/27/35/1024922735.db2.gz DHUYJYKWSRTCEZ-IBGZPJMESA-N 1 2 345.446 3.536 20 0 EHADLO CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc(F)ccc1F ZINC001125577212 1024929761 /nfs/dbraw/zinc/92/97/61/1024929761.db2.gz UNSUQSXGIQCKRH-MRXNPFEDSA-N 1 2 338.785 3.884 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](Cc2ccccc2F)CC2CC2)s1 ZINC000602893460 1033247603 /nfs/dbraw/zinc/24/76/03/1033247603.db2.gz AYGHIJNCAVYZJU-UHFFFAOYSA-N 1 2 348.443 3.871 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](Cc2ccccc2F)CC2CC2)s1 ZINC000602893460 1033247613 /nfs/dbraw/zinc/24/76/13/1033247613.db2.gz AYGHIJNCAVYZJU-UHFFFAOYSA-N 1 2 348.443 3.871 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000157548589 1024957961 /nfs/dbraw/zinc/95/79/61/1024957961.db2.gz ZHDQPJILQPVHQU-INIZCTEOSA-N 1 2 338.455 3.541 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157622494 1024981240 /nfs/dbraw/zinc/98/12/40/1024981240.db2.gz PNGVENVZBQESKN-CQSZACIVSA-N 1 2 349.837 3.616 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157622494 1024981249 /nfs/dbraw/zinc/98/12/49/1024981249.db2.gz PNGVENVZBQESKN-CQSZACIVSA-N 1 2 349.837 3.616 20 0 EHADLO CSCCC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000281439086 1025050431 /nfs/dbraw/zinc/05/04/31/1025050431.db2.gz PVDBVTYOENGRDN-UHFFFAOYSA-N 1 2 349.481 3.842 20 0 EHADLO CSCCC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000281439086 1025050443 /nfs/dbraw/zinc/05/04/43/1025050443.db2.gz PVDBVTYOENGRDN-UHFFFAOYSA-N 1 2 349.481 3.842 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000428220369 1025054898 /nfs/dbraw/zinc/05/48/98/1025054898.db2.gz REIQLHVTNMVKFV-QGZVFWFLSA-N 1 2 341.455 3.734 20 0 EHADLO Cc1nc(C(C)C)oc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000428220369 1025054906 /nfs/dbraw/zinc/05/49/06/1025054906.db2.gz REIQLHVTNMVKFV-QGZVFWFLSA-N 1 2 341.455 3.734 20 0 EHADLO CCc1nc(C)c(C[N@@H+]2CCN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000428223337 1025057608 /nfs/dbraw/zinc/05/76/08/1025057608.db2.gz APPJZSHJDHJKTN-UHFFFAOYSA-N 1 2 327.472 3.642 20 0 EHADLO CCc1nc(C)c(C[N@H+]2CCN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000428223337 1025057618 /nfs/dbraw/zinc/05/76/18/1025057618.db2.gz APPJZSHJDHJKTN-UHFFFAOYSA-N 1 2 327.472 3.642 20 0 EHADLO CCCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000520830469 1025070640 /nfs/dbraw/zinc/07/06/40/1025070640.db2.gz FQZNEJQHFQGCHX-LJQANCHMSA-N 1 2 348.849 3.993 20 0 EHADLO CCOC(=O)c1ncc(CNc2[nH+]cccc2CSCC)s1 ZINC000896029394 1025095295 /nfs/dbraw/zinc/09/52/95/1025095295.db2.gz CFYLCZCRHOGDHG-UHFFFAOYSA-N 1 2 337.470 3.580 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152015894 1025095381 /nfs/dbraw/zinc/09/53/81/1025095381.db2.gz ULJWTTRPMSDVSR-CYBMUJFWSA-N 1 2 329.469 3.975 20 0 EHADLO CCCCCC(=O)NC1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000892162281 1025120299 /nfs/dbraw/zinc/12/02/99/1025120299.db2.gz WVEOGODEWUYYQI-UHFFFAOYSA-N 1 2 344.503 3.718 20 0 EHADLO Cc1nc2sn(C[N@H+]3CCC[C@@H](C(C)C)C3)c(=O)c2c(C)c1C ZINC000780499416 1025127673 /nfs/dbraw/zinc/12/76/73/1025127673.db2.gz TXODGJSXQARANZ-OAHLLOKOSA-N 1 2 333.501 3.709 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CCC[C@@H](C(C)C)C3)c(=O)c2c(C)c1C ZINC000780499416 1025127677 /nfs/dbraw/zinc/12/76/77/1025127677.db2.gz TXODGJSXQARANZ-OAHLLOKOSA-N 1 2 333.501 3.709 20 0 EHADLO CNc1[nH+]cnc2c1cnn2CCCOc1cccc(C(C)(C)C)c1 ZINC000435786704 1025136590 /nfs/dbraw/zinc/13/65/90/1025136590.db2.gz IXKOQXBHWIFEOH-UHFFFAOYSA-N 1 2 339.443 3.635 20 0 EHADLO c1cc(CNCc2ccccc2OC2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657319362 1025137760 /nfs/dbraw/zinc/13/77/60/1025137760.db2.gz WMLPWLXCSCFMEC-UHFFFAOYSA-N 1 2 348.450 3.879 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(COC)c1 ZINC000191844831 1025161951 /nfs/dbraw/zinc/16/19/51/1025161951.db2.gz IRSGOCMBIDTBKC-UHFFFAOYSA-N 1 2 344.459 3.536 20 0 EHADLO COc1ccc2oc([C@H](C)NC(=O)C[C@@H](C)n3cc[nH+]c3)c(C)c2c1 ZINC000515303599 1025163209 /nfs/dbraw/zinc/16/32/09/1025163209.db2.gz IKYMDBAGOQCQRA-OCCSQVGLSA-N 1 2 341.411 3.775 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C1CCCCCC1 ZINC000474578793 1025170096 /nfs/dbraw/zinc/17/00/96/1025170096.db2.gz MQPFHOVVNKCPCX-UHFFFAOYSA-N 1 2 335.398 3.804 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000515333846 1025176704 /nfs/dbraw/zinc/17/67/04/1025176704.db2.gz DMAAHRNGUILSGT-WMLDXEAASA-N 1 2 342.439 3.928 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000515333846 1025176706 /nfs/dbraw/zinc/17/67/06/1025176706.db2.gz DMAAHRNGUILSGT-WMLDXEAASA-N 1 2 342.439 3.928 20 0 EHADLO COc1cnc([C@H]2CCC[N@@H+]2C/C=C\c2ccc(Cl)cc2)[nH]c1=O ZINC000934269923 1025183124 /nfs/dbraw/zinc/18/31/24/1025183124.db2.gz COUGZHHLNXIFRQ-NSRYLSIASA-N 1 2 345.830 3.695 20 0 EHADLO COc1cnc([C@H]2CCC[N@H+]2C/C=C\c2ccc(Cl)cc2)[nH]c1=O ZINC000934269923 1025183133 /nfs/dbraw/zinc/18/31/33/1025183133.db2.gz COUGZHHLNXIFRQ-NSRYLSIASA-N 1 2 345.830 3.695 20 0 EHADLO C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000152103781 1025203285 /nfs/dbraw/zinc/20/32/85/1025203285.db2.gz HXYATSJRHYNFAE-JKSUJKDBSA-N 1 2 327.428 3.727 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000521093242 1025208049 /nfs/dbraw/zinc/20/80/49/1025208049.db2.gz JDHUDAGRMWOZCK-QGZVFWFLSA-N 1 2 347.340 3.536 20 0 EHADLO FC(F)c1noc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000425424224 1025246680 /nfs/dbraw/zinc/24/66/80/1025246680.db2.gz WCKMLWCQBUZGPV-LLVKDONJSA-N 1 2 325.384 3.621 20 0 EHADLO FC(F)c1noc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000425424224 1025246686 /nfs/dbraw/zinc/24/66/86/1025246686.db2.gz WCKMLWCQBUZGPV-LLVKDONJSA-N 1 2 325.384 3.621 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000281585363 1025264707 /nfs/dbraw/zinc/26/47/07/1025264707.db2.gz DPBJNGZQBRSBEA-XJKSGUPXSA-N 1 2 329.444 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000897975862 1033272310 /nfs/dbraw/zinc/27/23/10/1033272310.db2.gz OGKFQZQZZDDSFG-GOSISDBHSA-N 1 2 337.467 3.723 20 0 EHADLO Cc1nc(C2([NH2+]Cc3cc4ccncc4s3)CCCCC2)no1 ZINC000657340563 1025303867 /nfs/dbraw/zinc/30/38/67/1025303867.db2.gz QBHIAHZYXALJIN-UHFFFAOYSA-N 1 2 328.441 3.937 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)c1cnn(C)c1 ZINC000925132307 1025311985 /nfs/dbraw/zinc/31/19/85/1025311985.db2.gz XABQNNGLVCWAOE-IUCAKERBSA-N 1 2 332.757 3.899 20 0 EHADLO CCC(CC)(OC)c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000521320244 1025328720 /nfs/dbraw/zinc/32/87/20/1025328720.db2.gz KVLKIDWYRPUISP-UHFFFAOYSA-N 1 2 340.427 3.567 20 0 EHADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)c(F)c1 ZINC000521349059 1025343747 /nfs/dbraw/zinc/34/37/47/1025343747.db2.gz MFNYMWMTHILFQQ-GOSISDBHSA-N 1 2 344.409 3.692 20 0 EHADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)c(F)c1 ZINC000521349059 1025343753 /nfs/dbraw/zinc/34/37/53/1025343753.db2.gz MFNYMWMTHILFQQ-GOSISDBHSA-N 1 2 344.409 3.692 20 0 EHADLO Cc1ncoc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000896320145 1025351623 /nfs/dbraw/zinc/35/16/23/1025351623.db2.gz CSDHRGFHMWNZBW-CQSZACIVSA-N 1 2 328.347 3.509 20 0 EHADLO Cc1ncoc1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000896320145 1025351632 /nfs/dbraw/zinc/35/16/32/1025351632.db2.gz CSDHRGFHMWNZBW-CQSZACIVSA-N 1 2 328.347 3.509 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346959932 1025352550 /nfs/dbraw/zinc/35/25/50/1025352550.db2.gz CWNRURRYQWWJJF-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346959932 1025352567 /nfs/dbraw/zinc/35/25/67/1025352567.db2.gz CWNRURRYQWWJJF-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO CSc1c(F)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000436080773 1025356578 /nfs/dbraw/zinc/35/65/78/1025356578.db2.gz IPVIQJIWDXKQAW-UHFFFAOYSA-N 1 2 327.384 3.986 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)NCCCCNc3cccc[nH+]3)cc2C1 ZINC000521442181 1025380955 /nfs/dbraw/zinc/38/09/55/1025380955.db2.gz UGUBIHFJIRIECJ-CQSZACIVSA-N 1 2 343.496 3.890 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000521439246 1025391720 /nfs/dbraw/zinc/39/17/20/1025391720.db2.gz IPJKCTFJJVIKLL-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000521439246 1025391734 /nfs/dbraw/zinc/39/17/34/1025391734.db2.gz IPJKCTFJJVIKLL-MRXNPFEDSA-N 1 2 347.459 3.686 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896411040 1025414039 /nfs/dbraw/zinc/41/40/39/1025414039.db2.gz ZGZVHDLPYLTRBH-INIZCTEOSA-N 1 2 333.863 3.718 20 0 EHADLO FC[C@H]1[C@@H]2C[N@H+](Cc3c(Cl)ccc(Br)c3F)C[C@H]12 ZINC001141892554 1025432816 /nfs/dbraw/zinc/43/28/16/1025432816.db2.gz OBQHZSPGKQRQLL-PSVAKVPMSA-N 1 2 336.607 3.889 20 0 EHADLO FC[C@H]1[C@@H]2C[N@@H+](Cc3c(Cl)ccc(Br)c3F)C[C@H]12 ZINC001141892554 1025432822 /nfs/dbraw/zinc/43/28/22/1025432822.db2.gz OBQHZSPGKQRQLL-PSVAKVPMSA-N 1 2 336.607 3.889 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)c2cn[nH]n2)cc1 ZINC000521551159 1025456699 /nfs/dbraw/zinc/45/66/99/1025456699.db2.gz GPFYHZNJUYCNOR-OXJNMPFZSA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)c2c[nH]nn2)cc1 ZINC000521551159 1025456711 /nfs/dbraw/zinc/45/67/11/1025456711.db2.gz GPFYHZNJUYCNOR-OXJNMPFZSA-N 1 2 336.414 3.743 20 0 EHADLO FC(F)(F)c1ccc2sc(=NCc3ccn4cc[nH+]c4c3)[nH]c2c1 ZINC000474781641 1025459253 /nfs/dbraw/zinc/45/92/53/1025459253.db2.gz AUKWRWCALSSCRH-UHFFFAOYSA-N 1 2 348.353 3.997 20 0 EHADLO Cc1ccc(SCCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000347094440 1025491599 /nfs/dbraw/zinc/49/15/99/1025491599.db2.gz HIWPXWFNOOKCBE-UHFFFAOYSA-N 1 2 343.496 3.669 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@H](Nc1cc(NC3CC3)[nH+]cn1)CCC2 ZINC000582168241 1025498880 /nfs/dbraw/zinc/49/88/80/1025498880.db2.gz IRGLOOOLKRCFGS-MRXNPFEDSA-N 1 2 338.459 3.852 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@H](Nc1cc(NC3CC3)nc[nH+]1)CCC2 ZINC000582168241 1025498888 /nfs/dbraw/zinc/49/88/88/1025498888.db2.gz IRGLOOOLKRCFGS-MRXNPFEDSA-N 1 2 338.459 3.852 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000521602683 1025502915 /nfs/dbraw/zinc/50/29/15/1025502915.db2.gz CERHESJVADICES-IEBWSBKVSA-N 1 2 341.430 3.973 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC=C(C)C3)n2)cc1 ZINC000436252074 1025510304 /nfs/dbraw/zinc/51/03/04/1025510304.db2.gz KLLRZNVWJFZMJU-UHFFFAOYSA-N 1 2 327.453 3.709 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC=C(C)C3)n2)cc1 ZINC000436252074 1025510312 /nfs/dbraw/zinc/51/03/12/1025510312.db2.gz KLLRZNVWJFZMJU-UHFFFAOYSA-N 1 2 327.453 3.709 20 0 EHADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000530266020 1025550109 /nfs/dbraw/zinc/55/01/09/1025550109.db2.gz ITAMULBRMDNYDU-MRXNPFEDSA-N 1 2 344.846 3.544 20 0 EHADLO O=C(Nc1nc(C2CC2)c[nH]1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000530266020 1025550127 /nfs/dbraw/zinc/55/01/27/1025550127.db2.gz ITAMULBRMDNYDU-MRXNPFEDSA-N 1 2 344.846 3.544 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)[nH]1 ZINC000428302795 1025561070 /nfs/dbraw/zinc/56/10/70/1025561070.db2.gz RMRKEDYOWVRYLY-GFCCVEGCSA-N 1 2 343.406 3.588 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)[nH]1 ZINC000428302795 1025561081 /nfs/dbraw/zinc/56/10/81/1025561081.db2.gz RMRKEDYOWVRYLY-GFCCVEGCSA-N 1 2 343.406 3.588 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442885725 1025568434 /nfs/dbraw/zinc/56/84/34/1025568434.db2.gz OCMRXPWQEUNSIP-OAHLLOKOSA-N 1 2 338.377 3.832 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000442885725 1025568444 /nfs/dbraw/zinc/56/84/44/1025568444.db2.gz OCMRXPWQEUNSIP-OAHLLOKOSA-N 1 2 338.377 3.832 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)cc2cccnc21 ZINC000515769258 1025577232 /nfs/dbraw/zinc/57/72/32/1025577232.db2.gz JYWFWUZVPYUTLI-UHFFFAOYSA-N 1 2 343.818 3.687 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)c(C)c1OC ZINC000347629969 1025583196 /nfs/dbraw/zinc/58/31/96/1025583196.db2.gz AQBGHVNSOHLMHI-CHWSQXEVSA-N 1 2 333.432 3.930 20 0 EHADLO CC(C)OCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277516008 1025591258 /nfs/dbraw/zinc/59/12/58/1025591258.db2.gz GDCFLXSIHIMMKE-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000007017746 1033293385 /nfs/dbraw/zinc/29/33/85/1033293385.db2.gz XOZMLNQQOUVNFP-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000007017746 1033293399 /nfs/dbraw/zinc/29/33/99/1033293399.db2.gz XOZMLNQQOUVNFP-UHFFFAOYSA-N 1 2 344.480 3.878 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cccc(CC(F)(F)F)c3)[nH+]c12 ZINC000081265128 1025620799 /nfs/dbraw/zinc/62/07/99/1025620799.db2.gz NBTDQUHAASYLBF-UHFFFAOYSA-N 1 2 347.340 3.929 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3cccnc3s2)o1 ZINC000342459673 1025622085 /nfs/dbraw/zinc/62/20/85/1025622085.db2.gz CVSPNFUHEBJEOW-AWEZNQCLSA-N 1 2 329.425 3.768 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nc3cccnc3s2)o1 ZINC000342459673 1025622100 /nfs/dbraw/zinc/62/21/00/1025622100.db2.gz CVSPNFUHEBJEOW-AWEZNQCLSA-N 1 2 329.425 3.768 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(Cl)c1 ZINC000277518562 1025634953 /nfs/dbraw/zinc/63/49/53/1025634953.db2.gz KJIPJDCOGJATOV-UHFFFAOYSA-N 1 2 325.865 3.713 20 0 EHADLO C[C@H](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)C ZINC000443006663 1025657634 /nfs/dbraw/zinc/65/76/34/1025657634.db2.gz ZRIDTEZUWYUBFV-MRXNPFEDSA-N 1 2 346.519 3.812 20 0 EHADLO Cc1cc(NC(=O)NCc2cccc(C)c2Br)c(C)c[nH+]1 ZINC000530342475 1025680956 /nfs/dbraw/zinc/68/09/56/1025680956.db2.gz NGSPSRBVEJLKNR-UHFFFAOYSA-N 1 2 348.244 3.513 20 0 EHADLO c1cc(C[N@@H+]2CCOC[C@]23CCOC3)cc(OCC2CCCCC2)c1 ZINC000443067308 1025684518 /nfs/dbraw/zinc/68/45/18/1025684518.db2.gz IUFROKOIXOPHIX-OAQYLSRUSA-N 1 2 345.483 3.637 20 0 EHADLO c1cc(C[N@H+]2CCOC[C@]23CCOC3)cc(OCC2CCCCC2)c1 ZINC000443067308 1025684534 /nfs/dbraw/zinc/68/45/34/1025684534.db2.gz IUFROKOIXOPHIX-OAQYLSRUSA-N 1 2 345.483 3.637 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000347228376 1025694339 /nfs/dbraw/zinc/69/43/39/1025694339.db2.gz HDZVAFXPIOHKBN-UHFFFAOYSA-N 1 2 348.450 3.915 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000119718982 1025731157 /nfs/dbraw/zinc/73/11/57/1025731157.db2.gz IUGPLGJGXNSPRF-QGZVFWFLSA-N 1 2 343.496 3.501 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000119718982 1025731171 /nfs/dbraw/zinc/73/11/71/1025731171.db2.gz IUGPLGJGXNSPRF-QGZVFWFLSA-N 1 2 343.496 3.501 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3ccncc3C2)cc1OC(F)(F)F ZINC001143444087 1025734202 /nfs/dbraw/zinc/73/42/02/1025734202.db2.gz YMUGFJRLMYWIHI-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3ccncc3C2)cc1OC(F)(F)F ZINC001143444087 1025734218 /nfs/dbraw/zinc/73/42/18/1025734218.db2.gz YMUGFJRLMYWIHI-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H]1C ZINC000451283805 1025758023 /nfs/dbraw/zinc/75/80/23/1025758023.db2.gz GSIWWPPJADSDKX-NUJGCVRESA-N 1 2 343.515 3.998 20 0 EHADLO CO[C@@H](CC(C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425569088 1025779468 /nfs/dbraw/zinc/77/94/68/1025779468.db2.gz KETUZONVRDNNKW-SFHVURJKSA-N 1 2 341.455 3.886 20 0 EHADLO CCC[C@@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425569076 1025780252 /nfs/dbraw/zinc/78/02/52/1025780252.db2.gz KEHXGADCLGNACC-QGZVFWFLSA-N 1 2 327.428 3.640 20 0 EHADLO Cc1ccc(OCc2ccccc2)c(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000443186144 1025787001 /nfs/dbraw/zinc/78/70/01/1025787001.db2.gz VNTMUSOWABGPKN-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCSC1 ZINC000425573629 1025787289 /nfs/dbraw/zinc/78/72/89/1025787289.db2.gz PUHBTFHQRFLDAT-CYBMUJFWSA-N 1 2 327.453 3.578 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2SC)c1C ZINC000051584058 1025808756 /nfs/dbraw/zinc/80/87/56/1025808756.db2.gz NNOBTWXUDLSGKK-UHFFFAOYSA-N 1 2 331.441 3.751 20 0 EHADLO CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436500372 1025814488 /nfs/dbraw/zinc/81/44/88/1025814488.db2.gz ZUOZFBLSCLWKBY-UHFFFAOYSA-N 1 2 341.411 3.790 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3csc4c3CC[C@H](C)C4)n2)C1 ZINC000329404834 1025815823 /nfs/dbraw/zinc/81/58/23/1025815823.db2.gz ZBARAIPYGPETOD-SWLSCSKDSA-N 1 2 347.484 3.705 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3csc4c3CC[C@H](C)C4)n2)C1 ZINC000329404834 1025815844 /nfs/dbraw/zinc/81/58/44/1025815844.db2.gz ZBARAIPYGPETOD-SWLSCSKDSA-N 1 2 347.484 3.705 20 0 EHADLO CCn1cnc2c1CCN(c1cc[nH+]c3cc(F)c(Cl)cc31)C2 ZINC000896654997 1025816598 /nfs/dbraw/zinc/81/65/98/1025816598.db2.gz SCURKQLHZFOKKB-UHFFFAOYSA-N 1 2 330.794 3.806 20 0 EHADLO CCCc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000472217627 1025852405 /nfs/dbraw/zinc/85/24/05/1025852405.db2.gz VFYDQUYJIWPLCL-INIZCTEOSA-N 1 2 343.858 3.696 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cc(Br)ccc2C2CC2)[nH+]c1C ZINC000896906581 1025884801 /nfs/dbraw/zinc/88/48/01/1025884801.db2.gz VSVDBCHLVOEWLF-UHFFFAOYSA-N 1 2 348.244 3.596 20 0 EHADLO CO[C@](C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000428274324 1025900738 /nfs/dbraw/zinc/90/07/38/1025900738.db2.gz HSWJIVSOSDMENS-IBGZPJMESA-N 1 2 339.370 3.512 20 0 EHADLO CO[C@@](C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000428274326 1025903319 /nfs/dbraw/zinc/90/33/19/1025903319.db2.gz HSWJIVSOSDMENS-LJQANCHMSA-N 1 2 339.370 3.512 20 0 EHADLO CCn1cnnc1C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000158396606 1025913840 /nfs/dbraw/zinc/91/38/40/1025913840.db2.gz JBVPDQONCAAOCI-LBPRGKRZSA-N 1 2 341.242 3.608 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccco2)C(C)C)c1C ZINC000444248592 1025963097 /nfs/dbraw/zinc/96/30/97/1025963097.db2.gz OUWRTIQOSVFRPV-MRXNPFEDSA-N 1 2 346.471 3.999 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccco2)C(C)C)c1C ZINC000444248592 1025963112 /nfs/dbraw/zinc/96/31/12/1025963112.db2.gz OUWRTIQOSVFRPV-MRXNPFEDSA-N 1 2 346.471 3.999 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)s1 ZINC000530519185 1025976331 /nfs/dbraw/zinc/97/63/31/1025976331.db2.gz WSUBYKABVJPBSA-LRDDRELGSA-N 1 2 339.468 3.760 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287214795 1025994973 /nfs/dbraw/zinc/99/49/73/1025994973.db2.gz VALSXLLXKKXWNY-KRWDZBQOSA-N 1 2 336.439 3.912 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccccc3OC(F)(F)F)[nH+]c12 ZINC000522959512 1025998232 /nfs/dbraw/zinc/99/82/32/1025998232.db2.gz ZPRVQLCLFISNNU-UHFFFAOYSA-N 1 2 349.312 3.723 20 0 EHADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CCO1 ZINC000546028758 1026008984 /nfs/dbraw/zinc/00/89/84/1026008984.db2.gz BYLWEYYBSQUQBT-INIZCTEOSA-N 1 2 333.403 3.712 20 0 EHADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CCO1 ZINC000546028758 1026009003 /nfs/dbraw/zinc/00/90/03/1026009003.db2.gz BYLWEYYBSQUQBT-INIZCTEOSA-N 1 2 333.403 3.712 20 0 EHADLO CC1(C)C[N@H+](Cc2cnc3ccc(Cl)cn23)CC2(CCCC2)O1 ZINC000443790091 1026051621 /nfs/dbraw/zinc/05/16/21/1026051621.db2.gz NCPVWRNVKRZVMG-UHFFFAOYSA-N 1 2 333.863 3.911 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnc3ccc(Cl)cn23)CC2(CCCC2)O1 ZINC000443790091 1026051642 /nfs/dbraw/zinc/05/16/42/1026051642.db2.gz NCPVWRNVKRZVMG-UHFFFAOYSA-N 1 2 333.863 3.911 20 0 EHADLO FC[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000413477390 1026083069 /nfs/dbraw/zinc/08/30/69/1026083069.db2.gz GGKRFSUAULAHCV-NSHDSACASA-N 1 2 339.208 3.562 20 0 EHADLO CO[C@@](C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1F ZINC000192003818 1026084083 /nfs/dbraw/zinc/08/40/83/1026084083.db2.gz ZYPAQFWTMZKXIV-LJQANCHMSA-N 1 2 339.370 3.716 20 0 EHADLO Cc1csc2nc(C)nc(N3CCC[C@@H]3c3[nH]c(C)c(C)[nH+]3)c12 ZINC000895192543 1026087906 /nfs/dbraw/zinc/08/79/06/1026087906.db2.gz IGTNKTYKKFBZNK-CYBMUJFWSA-N 1 2 327.457 3.990 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H]1C ZINC000451541746 1026089646 /nfs/dbraw/zinc/08/96/46/1026089646.db2.gz MEAPLGLSGFLVLV-VHRBIJSZSA-N 1 2 349.500 3.822 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H]1C ZINC000451541746 1026089667 /nfs/dbraw/zinc/08/96/67/1026089667.db2.gz MEAPLGLSGFLVLV-VHRBIJSZSA-N 1 2 349.500 3.822 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000277574490 1026093198 /nfs/dbraw/zinc/09/31/98/1026093198.db2.gz OBNBZMPUDFTIBB-MSOLQXFVSA-N 1 2 343.446 3.627 20 0 EHADLO CC[C@H]1C[C@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCO1 ZINC000896823174 1026095010 /nfs/dbraw/zinc/09/50/10/1026095010.db2.gz KIBISLRBYLGNPY-WBVHZDCISA-N 1 2 338.411 3.519 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2ncnc3sc(C)c(C)c32)[nH+]c1C ZINC000895193200 1026096314 /nfs/dbraw/zinc/09/63/14/1026096314.db2.gz MWGMRUOXNFSWRI-ZDUSSCGKSA-N 1 2 327.457 3.990 20 0 EHADLO FC(F)(F)C1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCC1 ZINC000896821592 1026106801 /nfs/dbraw/zinc/10/68/01/1026106801.db2.gz VCBYYMDCESATDI-UHFFFAOYSA-N 1 2 348.328 3.830 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1CCC(F)(F)CC1 ZINC000158671641 1026236651 /nfs/dbraw/zinc/23/66/51/1026236651.db2.gz QHDOWXOWMLZXDG-UHFFFAOYSA-N 1 2 343.443 3.893 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)NCc1cccnc1 ZINC000451740161 1026256333 /nfs/dbraw/zinc/25/63/33/1026256333.db2.gz ZIMWHQRDCLWADL-GOSISDBHSA-N 1 2 343.858 3.578 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)NCc1cccnc1 ZINC000451740161 1026256344 /nfs/dbraw/zinc/25/63/44/1026256344.db2.gz ZIMWHQRDCLWADL-GOSISDBHSA-N 1 2 343.858 3.578 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000043311165 1026260598 /nfs/dbraw/zinc/26/05/98/1026260598.db2.gz HTKZTRUVRDFBRG-LLVKDONJSA-N 1 2 341.242 3.593 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000277612931 1026315589 /nfs/dbraw/zinc/31/55/89/1026315589.db2.gz WNNHWHWFJDMYJY-ZLOXQWCVSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000277612931 1026315602 /nfs/dbraw/zinc/31/56/02/1026315602.db2.gz WNNHWHWFJDMYJY-ZLOXQWCVSA-N 1 2 335.444 3.595 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCCOC(C)C)c(C)c1 ZINC000342580271 1026344570 /nfs/dbraw/zinc/34/45/70/1026344570.db2.gz DNMXDKXKVWLESZ-LJQANCHMSA-N 1 2 343.471 3.563 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)NCCCCn3cc[nH+]c3)c2c1 ZINC000530850457 1026348865 /nfs/dbraw/zinc/34/88/65/1026348865.db2.gz XBRKMUGBDSEVNK-UHFFFAOYSA-N 1 2 348.450 3.827 20 0 EHADLO CCc1nc(C)c(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)o1 ZINC000451905858 1026371002 /nfs/dbraw/zinc/37/10/02/1026371002.db2.gz HLUKAQIDAGECOG-MRXNPFEDSA-N 1 2 343.254 3.850 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H](C)[C@H](C)C3CCCCC3)[nH+]c12 ZINC000530890922 1026378953 /nfs/dbraw/zinc/37/89/53/1026378953.db2.gz YKLUZTNAPDRPNG-HOTGVXAUSA-N 1 2 327.472 3.906 20 0 EHADLO Cc1nnc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1C1CC1 ZINC000451959988 1026396601 /nfs/dbraw/zinc/39/66/01/1026396601.db2.gz OLJKDKJSHCFSRD-UHFFFAOYSA-N 1 2 346.425 3.654 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451961112 1026397154 /nfs/dbraw/zinc/39/71/54/1026397154.db2.gz RMZPHERZJWIZKV-UHFFFAOYSA-N 1 2 348.441 3.729 20 0 EHADLO Fc1ccc(F)c(CC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c1 ZINC000451965465 1026402103 /nfs/dbraw/zinc/40/21/03/1026402103.db2.gz MQVIZSIJKSQVCP-UHFFFAOYSA-N 1 2 333.382 3.680 20 0 EHADLO O[C@H]([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641585 1026417999 /nfs/dbraw/zinc/41/79/99/1026417999.db2.gz CCPHXPKFVPHZKN-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)C(F)(F)F ZINC000277641585 1026418003 /nfs/dbraw/zinc/41/80/03/1026418003.db2.gz CCPHXPKFVPHZKN-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277651238 1026441055 /nfs/dbraw/zinc/44/10/55/1026441055.db2.gz FPWQPRTXNVQAFF-UHFFFAOYSA-N 1 2 332.879 3.761 20 0 EHADLO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000452006650 1026443180 /nfs/dbraw/zinc/44/31/80/1026443180.db2.gz MCTOPTNUXAXMSH-NSHDSACASA-N 1 2 325.250 3.651 20 0 EHADLO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000452006650 1026443183 /nfs/dbraw/zinc/44/31/83/1026443183.db2.gz MCTOPTNUXAXMSH-NSHDSACASA-N 1 2 325.250 3.651 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000531011468 1026483409 /nfs/dbraw/zinc/48/34/09/1026483409.db2.gz ONUBVPZHNDFJPP-GOSISDBHSA-N 1 2 326.371 3.958 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nncn1-c1ccccc1)CCCO2 ZINC000152668401 1026505680 /nfs/dbraw/zinc/50/56/80/1026505680.db2.gz ZNPDBBVOPFJPFD-GOSISDBHSA-N 1 2 334.423 3.579 20 0 EHADLO C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1nc(C(F)(F)F)cs1 ZINC000657451539 1026517673 /nfs/dbraw/zinc/51/76/73/1026517673.db2.gz AWPPLKDNRBUCGH-VIFPVBQESA-N 1 2 330.379 3.619 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000452185700 1026552882 /nfs/dbraw/zinc/55/28/82/1026552882.db2.gz AOTMMPSNFYXVOT-JXXFODFXSA-N 1 2 349.478 3.909 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(F)cc2F)c1C ZINC000051755063 1026583883 /nfs/dbraw/zinc/58/38/83/1026583883.db2.gz YKCJEPPYRWWYJQ-LBPRGKRZSA-N 1 2 349.381 3.546 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000073171753 1026629528 /nfs/dbraw/zinc/62/95/28/1026629528.db2.gz KRNJQAXOPLMKHG-RTBURBONSA-N 1 2 337.467 3.786 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCSCC1 ZINC000277702607 1026629761 /nfs/dbraw/zinc/62/97/61/1026629761.db2.gz MVJDCAAVBOKLNZ-UHFFFAOYSA-N 1 2 341.480 3.968 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332220 1026663725 /nfs/dbraw/zinc/66/37/25/1026663725.db2.gz GGOQOEDGFSYPMV-LBPRGKRZSA-N 1 2 333.432 3.725 20 0 EHADLO CCCCn1c(SCC[C@@H]2CCCO2)nnc1[C@@H](CC)[NH+](C)C ZINC000188705194 1026716455 /nfs/dbraw/zinc/71/64/55/1026716455.db2.gz ZPFWPTAVWYSKQL-LSDHHAIUSA-N 1 2 340.537 3.752 20 0 EHADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC(C)(C)C)n1 ZINC000925242814 1026727092 /nfs/dbraw/zinc/72/70/92/1026727092.db2.gz MICAINAOGMYMGS-CQSZACIVSA-N 1 2 330.476 3.943 20 0 EHADLO Cc1cc(-c2noc(Cn3cc[nH+]c3)n2)ccc1N1CCC[C@@H](C)C1 ZINC000277750602 1026795117 /nfs/dbraw/zinc/79/51/17/1026795117.db2.gz CJPMNRAIQQEXKX-CQSZACIVSA-N 1 2 337.427 3.526 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000301444965 1026809039 /nfs/dbraw/zinc/80/90/39/1026809039.db2.gz NTPHPXQDFAKULM-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(-n2cccn2)cc1 ZINC000301444965 1026809054 /nfs/dbraw/zinc/80/90/54/1026809054.db2.gz NTPHPXQDFAKULM-MRXNPFEDSA-N 1 2 348.454 3.826 20 0 EHADLO COc1ncc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000342716693 1026819148 /nfs/dbraw/zinc/81/91/48/1026819148.db2.gz XJYVFSWNXIMWTR-LBPRGKRZSA-N 1 2 332.835 3.912 20 0 EHADLO COc1ccc([C@H](C)N(C)c2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301498235 1026829246 /nfs/dbraw/zinc/82/92/46/1026829246.db2.gz CDSDNYJYKSODIJ-HNNXBMFYSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccc([C@H](C)N(C)c2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301498235 1026829250 /nfs/dbraw/zinc/82/92/50/1026829250.db2.gz CDSDNYJYKSODIJ-HNNXBMFYSA-N 1 2 326.444 3.673 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000511176564 1026835751 /nfs/dbraw/zinc/83/57/51/1026835751.db2.gz WCCLIKBNACCCIH-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000511176564 1026835767 /nfs/dbraw/zinc/83/57/67/1026835767.db2.gz WCCLIKBNACCCIH-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO CCC(CC)N(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000531394233 1026861508 /nfs/dbraw/zinc/86/15/08/1026861508.db2.gz NKDBSFGCZOFGHN-UHFFFAOYSA-N 1 2 340.471 3.794 20 0 EHADLO CC[C@@H](C)CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000666003639 1026959997 /nfs/dbraw/zinc/95/99/97/1026959997.db2.gz JTBAMYDUTFBORK-CVEARBPZSA-N 1 2 333.476 3.638 20 0 EHADLO c1cncc(-c2ccc(CNc3cc(NCC4CC4)[nH+]cn3)cc2)c1 ZINC000301842214 1026960135 /nfs/dbraw/zinc/96/01/35/1026960135.db2.gz ZQKSWWTVIGSVSQ-UHFFFAOYSA-N 1 2 331.423 3.973 20 0 EHADLO c1cncc(-c2ccc(CNc3cc(NCC4CC4)nc[nH+]3)cc2)c1 ZINC000301842214 1026960141 /nfs/dbraw/zinc/96/01/41/1026960141.db2.gz ZQKSWWTVIGSVSQ-UHFFFAOYSA-N 1 2 331.423 3.973 20 0 EHADLO Nc1nc(NCc2ccnc(OC3CCCC3)c2)[nH+]c2ccccc12 ZINC000301854116 1026966208 /nfs/dbraw/zinc/96/62/08/1026966208.db2.gz CGYCOHUCTAMXIP-UHFFFAOYSA-N 1 2 335.411 3.541 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(OC(F)F)c1 ZINC000301888667 1026980614 /nfs/dbraw/zinc/98/06/14/1026980614.db2.gz QAFOEBWETAKJNM-JTQLQIEISA-N 1 2 330.338 3.987 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCOC2(C1)CCCCCC2 ZINC000301908676 1026990795 /nfs/dbraw/zinc/99/07/95/1026990795.db2.gz FCXZRKCPWWONEH-UHFFFAOYSA-N 1 2 343.475 3.511 20 0 EHADLO Nc1nc(NC[C@H](O)c2cc3ccccc3s2)[nH+]c2ccccc12 ZINC000301913488 1026992433 /nfs/dbraw/zinc/99/24/33/1026992433.db2.gz UHPPPFGXGIOUII-AWEZNQCLSA-N 1 2 336.420 3.572 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCOC2(CCCCC2)C1 ZINC000301921323 1026994859 /nfs/dbraw/zinc/99/48/59/1026994859.db2.gz KYIATADDDHMNFM-AWEZNQCLSA-N 1 2 343.475 3.875 20 0 EHADLO CC(C)OC1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301936550 1027001448 /nfs/dbraw/zinc/00/14/48/1027001448.db2.gz RKJVYNPMBVWURA-UHFFFAOYSA-N 1 2 331.464 3.729 20 0 EHADLO CN(CC1CCOCC1)c1cc[nH+]c2c(Br)cccc12 ZINC000301948499 1027005696 /nfs/dbraw/zinc/00/56/96/1027005696.db2.gz HZOAIFWPRCLZLX-UHFFFAOYSA-N 1 2 335.245 3.860 20 0 EHADLO CCc1cnc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000342779845 1027021178 /nfs/dbraw/zinc/02/11/78/1027021178.db2.gz OCGMYZWSUVLILA-CQSZACIVSA-N 1 2 326.425 3.589 20 0 EHADLO CCc1nc(N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000342782852 1027030121 /nfs/dbraw/zinc/03/01/21/1027030121.db2.gz PDHLMCRYQNJQOO-SFHVURJKSA-N 1 2 341.455 3.542 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000302068340 1027042345 /nfs/dbraw/zinc/04/23/45/1027042345.db2.gz SYRQAHCIEMIKCK-SJORKVTESA-N 1 2 332.492 3.863 20 0 EHADLO CCC(CC)[C@@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000302068340 1027042355 /nfs/dbraw/zinc/04/23/55/1027042355.db2.gz SYRQAHCIEMIKCK-SJORKVTESA-N 1 2 332.492 3.863 20 0 EHADLO Cc1nc(N2CCC[C@H]2CC(=O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302125446 1027061818 /nfs/dbraw/zinc/06/18/18/1027061818.db2.gz ZKKMSRZQNSUCPJ-AWEZNQCLSA-N 1 2 341.480 3.967 20 0 EHADLO CC(C)n1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000277825983 1027063614 /nfs/dbraw/zinc/06/36/14/1027063614.db2.gz YMHAJAKAVZOWRB-UHFFFAOYSA-N 1 2 349.438 3.916 20 0 EHADLO Cc1cnc([C@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)s1 ZINC000302151136 1027072240 /nfs/dbraw/zinc/07/22/40/1027072240.db2.gz UFBVBDKEWWNHSW-SNVBAGLBSA-N 1 2 330.461 3.562 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000074769703 1027073453 /nfs/dbraw/zinc/07/34/53/1027073453.db2.gz YCNAMFLTAGNMTG-AEFFLSMTSA-N 1 2 340.471 3.547 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3cccc(Cl)c3)C2)c2c([nH+]1)CCCC2 ZINC000302191676 1027083454 /nfs/dbraw/zinc/08/34/54/1027083454.db2.gz BPIMUHLDZMDZGU-GOSISDBHSA-N 1 2 343.858 3.895 20 0 EHADLO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075534340 1027145767 /nfs/dbraw/zinc/14/57/67/1027145767.db2.gz PUIKVZJUODVYDI-NVXWUHKLSA-N 1 2 341.455 3.707 20 0 EHADLO O=C(CCCOc1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534033 1027146350 /nfs/dbraw/zinc/14/63/50/1027146350.db2.gz XHPTYFOCWQDHTJ-AWEZNQCLSA-N 1 2 347.846 3.628 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532437 1027146619 /nfs/dbraw/zinc/14/66/19/1027146619.db2.gz UGBPHBFHIJCROG-KRWDZBQOSA-N 1 2 348.450 3.744 20 0 EHADLO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126119838 1027163562 /nfs/dbraw/zinc/16/35/62/1027163562.db2.gz XVIQTWKBTLDHSU-LLVKDONJSA-N 1 2 342.226 3.592 20 0 EHADLO CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126119838 1027163571 /nfs/dbraw/zinc/16/35/71/1027163571.db2.gz XVIQTWKBTLDHSU-LLVKDONJSA-N 1 2 342.226 3.592 20 0 EHADLO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553846 1027167585 /nfs/dbraw/zinc/16/75/85/1027167585.db2.gz JAOLVWYBMYIUFT-VIFPVBQESA-N 1 2 342.201 3.875 20 0 EHADLO O=C(CSc1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553102 1027168585 /nfs/dbraw/zinc/16/85/85/1027168585.db2.gz HUUKGNGEQLKLPK-LBPRGKRZSA-N 1 2 335.860 3.561 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075556048 1027171293 /nfs/dbraw/zinc/17/12/93/1027171293.db2.gz NOFWAJQFGDHFJM-KRWDZBQOSA-N 1 2 341.455 3.999 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075556637 1027172160 /nfs/dbraw/zinc/17/21/60/1027172160.db2.gz KWWLIYIWKRGMRR-OAHLLOKOSA-N 1 2 329.469 3.607 20 0 EHADLO COc1cccc2c(NC[C@H](O)c3c(F)cccc3F)cc[nH+]c12 ZINC000302535244 1027184103 /nfs/dbraw/zinc/18/41/03/1027184103.db2.gz MIWBIPRZIGPVHA-HNNXBMFYSA-N 1 2 330.334 3.667 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1nnnn1-c1ccccc1 ZINC000123381851 1027197597 /nfs/dbraw/zinc/19/75/97/1027197597.db2.gz CFYPJVSGLNCGQJ-UONOGXRCSA-N 1 2 333.395 3.820 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000272962078 1027198862 /nfs/dbraw/zinc/19/88/62/1027198862.db2.gz QFAFHEHNGYGZIH-DYVFJYSZSA-N 1 2 330.453 3.778 20 0 EHADLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000272962078 1027198874 /nfs/dbraw/zinc/19/88/74/1027198874.db2.gz QFAFHEHNGYGZIH-DYVFJYSZSA-N 1 2 330.453 3.778 20 0 EHADLO COc1cccc2c(N3CC[C@@]4(C3)OCc3ccccc34)cc[nH+]c12 ZINC000302567421 1027200235 /nfs/dbraw/zinc/20/02/35/1027200235.db2.gz XEUJPEZGNAUGGI-NRFANRHFSA-N 1 2 332.403 3.879 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075971559 1027214972 /nfs/dbraw/zinc/21/49/72/1027214972.db2.gz QTLXPXYGCQKYOT-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076076934 1027237379 /nfs/dbraw/zinc/23/73/79/1027237379.db2.gz ZRTILLRPUNCSAU-BBRMVZONSA-N 1 2 344.846 3.640 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076084750 1027238685 /nfs/dbraw/zinc/23/86/85/1027238685.db2.gz QJXFXKSHHHXJDF-SFHVURJKSA-N 1 2 340.471 3.712 20 0 EHADLO CCc1nnc(C[NH2+][C@H](CC)c2ccccc2OC(F)F)s1 ZINC000273216188 1027315644 /nfs/dbraw/zinc/31/56/44/1027315644.db2.gz UNYDUGVMLMXDFO-LLVKDONJSA-N 1 2 327.400 3.943 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2ccc(N)[nH+]c2)n1)CCCCC3 ZINC000302834454 1027317862 /nfs/dbraw/zinc/31/78/62/1027317862.db2.gz TXBGBDPCEKCODZ-UHFFFAOYSA-N 1 2 339.468 3.858 20 0 EHADLO CC(C)c1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127641128 1027333161 /nfs/dbraw/zinc/33/31/61/1027333161.db2.gz HIHQODGWZSDLDM-GOSISDBHSA-N 1 2 325.412 3.890 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000273252197 1027335068 /nfs/dbraw/zinc/33/50/68/1027335068.db2.gz DENDGYDFECSDRN-SNVBAGLBSA-N 1 2 332.404 3.800 20 0 EHADLO Clc1ccc2[nH]cc(CCNc3cc(N4CCCC4)nc[nH+]3)c2c1 ZINC000302883782 1027344291 /nfs/dbraw/zinc/34/42/91/1027344291.db2.gz JVKQUXARTQDAQP-UHFFFAOYSA-N 1 2 341.846 3.866 20 0 EHADLO Clc1ccc2[nH]cc(CCNc3cc(N4CCCC4)[nH+]cn3)c2c1 ZINC000302883782 1027344306 /nfs/dbraw/zinc/34/43/06/1027344306.db2.gz JVKQUXARTQDAQP-UHFFFAOYSA-N 1 2 341.846 3.866 20 0 EHADLO OC[C@H]1CCCCN1c1cc(NCc2ccc3ccccc3c2)[nH+]cn1 ZINC000302917178 1027363011 /nfs/dbraw/zinc/36/30/11/1027363011.db2.gz WRNZILSWQHZRGS-LJQANCHMSA-N 1 2 348.450 3.593 20 0 EHADLO OC[C@H]1CCCCN1c1cc(NCc2ccc3ccccc3c2)nc[nH+]1 ZINC000302917178 1027363030 /nfs/dbraw/zinc/36/30/30/1027363030.db2.gz WRNZILSWQHZRGS-LJQANCHMSA-N 1 2 348.450 3.593 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(CC)cc2)cs1 ZINC000273422597 1027419213 /nfs/dbraw/zinc/41/92/13/1027419213.db2.gz VRENYORKBZHBTB-AWEZNQCLSA-N 1 2 345.512 3.577 20 0 EHADLO CCC(CC)Oc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1 ZINC000453140184 1027447512 /nfs/dbraw/zinc/44/75/12/1027447512.db2.gz BCYRZWSVFGOBEW-UHFFFAOYSA-N 1 2 326.400 3.628 20 0 EHADLO CCOCC[N@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000639894360 1027453198 /nfs/dbraw/zinc/45/31/98/1027453198.db2.gz OTMUEYIWZUQVRB-GOSISDBHSA-N 1 2 341.455 3.548 20 0 EHADLO CCOCC[N@@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000639894360 1027453210 /nfs/dbraw/zinc/45/32/10/1027453210.db2.gz OTMUEYIWZUQVRB-GOSISDBHSA-N 1 2 341.455 3.548 20 0 EHADLO O=C(Cc1ccc(O)cc1Cl)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000128623316 1027460442 /nfs/dbraw/zinc/46/04/42/1027460442.db2.gz YMOGHIJYKSQCBZ-UHFFFAOYSA-N 1 2 327.771 3.617 20 0 EHADLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)c1 ZINC000128713829 1027474342 /nfs/dbraw/zinc/47/43/42/1027474342.db2.gz SFUWIZXIQBPCKG-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO CC(C)c1nc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273550222 1027487850 /nfs/dbraw/zinc/48/78/50/1027487850.db2.gz VENSNADSAKUTLH-JKSUJKDBSA-N 1 2 333.407 3.684 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273550222 1027487878 /nfs/dbraw/zinc/48/78/78/1027487878.db2.gz VENSNADSAKUTLH-JKSUJKDBSA-N 1 2 333.407 3.684 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)cc1 ZINC000513720731 1027497627 /nfs/dbraw/zinc/49/76/27/1027497627.db2.gz OBHJXAVCGDZGCB-SFHVURJKSA-N 1 2 344.499 3.556 20 0 EHADLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]Cc1ncc(C)s1 ZINC000894270166 1027499281 /nfs/dbraw/zinc/49/92/81/1027499281.db2.gz VMTCSQDEGXRMOI-UHFFFAOYSA-N 1 2 343.452 3.708 20 0 EHADLO O=C(COc1cc[nH+]cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000431484132 1027515800 /nfs/dbraw/zinc/51/58/00/1027515800.db2.gz QQNIIRWRGBTFMW-UHFFFAOYSA-N 1 2 330.693 3.771 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1Br ZINC000050515101 1027519356 /nfs/dbraw/zinc/51/93/56/1027519356.db2.gz BVZQWZQQTSTXLJ-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1Br ZINC000050515101 1027519365 /nfs/dbraw/zinc/51/93/65/1027519365.db2.gz BVZQWZQQTSTXLJ-UHFFFAOYSA-N 1 2 338.220 3.583 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657585896 1027529911 /nfs/dbraw/zinc/52/99/11/1027529911.db2.gz BUDICDPMLVAPQK-UHFFFAOYSA-N 1 2 341.329 3.734 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)s1 ZINC000273675774 1027554941 /nfs/dbraw/zinc/55/49/41/1027554941.db2.gz JIASIPAJWMUHIN-NWDGAFQWSA-N 1 2 332.473 3.648 20 0 EHADLO Brc1ccc2c(c1)CN(Cc1cccc3[nH+]ccn31)CC2 ZINC000342840664 1027580113 /nfs/dbraw/zinc/58/01/13/1027580113.db2.gz OTIAVXIXTFNTCA-UHFFFAOYSA-N 1 2 342.240 3.655 20 0 EHADLO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000342840578 1027580484 /nfs/dbraw/zinc/58/04/84/1027580484.db2.gz RWMWALFVFUQZEO-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1ccc(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000342840578 1027580492 /nfs/dbraw/zinc/58/04/92/1027580492.db2.gz RWMWALFVFUQZEO-IBGZPJMESA-N 1 2 348.368 3.994 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459325112 1027612182 /nfs/dbraw/zinc/61/21/82/1027612182.db2.gz KNUSEVHDNNAMAS-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO OC1(C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCCC1 ZINC000487494453 1027624607 /nfs/dbraw/zinc/62/46/07/1027624607.db2.gz VGWNOVAKRBAOGN-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO OC1(C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCCC1 ZINC000487494453 1027624614 /nfs/dbraw/zinc/62/46/14/1027624614.db2.gz VGWNOVAKRBAOGN-HNNXBMFYSA-N 1 2 330.255 3.672 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342848435 1027636290 /nfs/dbraw/zinc/63/62/90/1027636290.db2.gz LILALMJSLOCCCO-PXNSSMCTSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342848435 1027636298 /nfs/dbraw/zinc/63/62/98/1027636298.db2.gz LILALMJSLOCCCO-PXNSSMCTSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2cccc(F)c2)C(C)C)cc(C)[nH+]1 ZINC000422196829 1027642849 /nfs/dbraw/zinc/64/28/49/1027642849.db2.gz AMAFKLKQRYEEAQ-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130316851 1027657990 /nfs/dbraw/zinc/65/79/90/1027657990.db2.gz JGNFROAQHSLKNA-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO Cc1cc(C[N@H+]2CCCc3c(cnn3C)C2)sc1Br ZINC000414468733 1027706745 /nfs/dbraw/zinc/70/67/45/1027706745.db2.gz DRXLBVHCJVEBDR-UHFFFAOYSA-N 1 2 340.290 3.501 20 0 EHADLO Cc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)sc1Br ZINC000414468733 1027706760 /nfs/dbraw/zinc/70/67/60/1027706760.db2.gz DRXLBVHCJVEBDR-UHFFFAOYSA-N 1 2 340.290 3.501 20 0 EHADLO CC(C)Oc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000053338890 1027718119 /nfs/dbraw/zinc/71/81/19/1027718119.db2.gz WNDADEZVHAEICF-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO CC(C)Oc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000053338890 1027718136 /nfs/dbraw/zinc/71/81/36/1027718136.db2.gz WNDADEZVHAEICF-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2OC(F)F)cc(C)[nH+]1 ZINC000420769217 1027733753 /nfs/dbraw/zinc/73/37/53/1027733753.db2.gz XKVQRXHKTROLEK-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533376185 1027735279 /nfs/dbraw/zinc/73/52/79/1027735279.db2.gz BLPVEALALZKSPY-UHFFFAOYSA-N 1 2 346.434 3.672 20 0 EHADLO O=c1[nH]c2ccccc2n1CCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533376185 1027735297 /nfs/dbraw/zinc/73/52/97/1027735297.db2.gz BLPVEALALZKSPY-UHFFFAOYSA-N 1 2 346.434 3.672 20 0 EHADLO Cc1n[nH]c(C)c1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000131117215 1027739460 /nfs/dbraw/zinc/73/94/60/1027739460.db2.gz XVOBHADKRLOIGF-HNNXBMFYSA-N 1 2 332.879 3.559 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000533380142 1027742871 /nfs/dbraw/zinc/74/28/71/1027742871.db2.gz HQBTXWMSKSRSHH-AWEZNQCLSA-N 1 2 345.361 3.544 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000533380142 1027742886 /nfs/dbraw/zinc/74/28/86/1027742886.db2.gz HQBTXWMSKSRSHH-AWEZNQCLSA-N 1 2 345.361 3.544 20 0 EHADLO CC(F)(F)CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455127834 1027757070 /nfs/dbraw/zinc/75/70/70/1027757070.db2.gz PXYKVZGRBRGBFB-UHFFFAOYSA-N 1 2 342.434 3.520 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc(C)[nH+]1 ZINC000420825622 1027759184 /nfs/dbraw/zinc/75/91/84/1027759184.db2.gz SHUVZRRBYVHCPH-QGZVFWFLSA-N 1 2 329.831 3.839 20 0 EHADLO COc1cc(NC(=O)NCc2c[nH+]c(C)cc2C)ccc1OC(C)C ZINC000455168962 1027773667 /nfs/dbraw/zinc/77/36/67/1027773667.db2.gz ZDYNNJITFHXDKU-UHFFFAOYSA-N 1 2 343.427 3.816 20 0 EHADLO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1C(F)F)c1ccco1 ZINC000305026907 1027782461 /nfs/dbraw/zinc/78/24/61/1027782461.db2.gz GZMXORJWYGIJRR-KGLIPLIRSA-N 1 2 339.386 3.740 20 0 EHADLO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1C(F)F)c1ccco1 ZINC000305026907 1027782478 /nfs/dbraw/zinc/78/24/78/1027782478.db2.gz GZMXORJWYGIJRR-KGLIPLIRSA-N 1 2 339.386 3.740 20 0 EHADLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC000533387999 1027786231 /nfs/dbraw/zinc/78/62/31/1027786231.db2.gz HBBAFPGTIUKDFR-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC000533387999 1027786235 /nfs/dbraw/zinc/78/62/35/1027786235.db2.gz HBBAFPGTIUKDFR-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc(C)[nH+]1 ZINC000420847921 1027789042 /nfs/dbraw/zinc/78/90/42/1027789042.db2.gz KZLPFUNPPCKWAV-CYBMUJFWSA-N 1 2 333.382 3.879 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000665844019 1027791447 /nfs/dbraw/zinc/79/14/47/1027791447.db2.gz FCBWFCAQJUCTDW-IAGOWNOFSA-N 1 2 327.472 3.514 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC000420857287 1027801537 /nfs/dbraw/zinc/80/15/37/1027801537.db2.gz ZOGCWBIGMXBWFD-UHFFFAOYSA-N 1 2 335.810 3.833 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](CC(F)F)c2ccccc2)c[nH+]1 ZINC000420859864 1027804911 /nfs/dbraw/zinc/80/49/11/1027804911.db2.gz LNEMTRQYMZZXHB-INIZCTEOSA-N 1 2 333.382 3.894 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1Cl ZINC000277914876 1027827548 /nfs/dbraw/zinc/82/75/48/1027827548.db2.gz CHGNITCHBGVXRB-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1Cl ZINC000277914876 1027827564 /nfs/dbraw/zinc/82/75/64/1027827564.db2.gz CHGNITCHBGVXRB-UKRRQHHQSA-N 1 2 333.819 3.624 20 0 EHADLO Cc1nc(Cl)ccc1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179107865 1027835186 /nfs/dbraw/zinc/83/51/86/1027835186.db2.gz VJEHFAYTMWXMDD-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352815 1027858792 /nfs/dbraw/zinc/85/87/92/1027858792.db2.gz WETLPYMWESNDTE-VBKZILBWSA-N 1 2 345.414 3.892 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352815 1027858814 /nfs/dbraw/zinc/85/88/14/1027858814.db2.gz WETLPYMWESNDTE-VBKZILBWSA-N 1 2 345.414 3.892 20 0 EHADLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)cn1 ZINC000533441471 1027901792 /nfs/dbraw/zinc/90/17/92/1027901792.db2.gz FCWNBCIIBAMVPH-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)cn1 ZINC000533441471 1027901804 /nfs/dbraw/zinc/90/18/04/1027901804.db2.gz FCWNBCIIBAMVPH-OAHLLOKOSA-N 1 2 336.439 3.515 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000420945240 1027906014 /nfs/dbraw/zinc/90/60/14/1027906014.db2.gz YWLGFPQIVTYDGT-NSHDSACASA-N 1 2 348.809 3.733 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000420945240 1027906028 /nfs/dbraw/zinc/90/60/28/1027906028.db2.gz YWLGFPQIVTYDGT-NSHDSACASA-N 1 2 348.809 3.733 20 0 EHADLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000420949486 1027913228 /nfs/dbraw/zinc/91/32/28/1027913228.db2.gz QHBVIQVLSOMJCB-GFCCVEGCSA-N 1 2 339.892 3.663 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952307 1027913678 /nfs/dbraw/zinc/91/36/78/1027913678.db2.gz SAUZILNNOQJNHM-DOMZBBRYSA-N 1 2 344.352 3.595 20 0 EHADLO O=C1[C@@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1ccccc1F ZINC000420952307 1027913691 /nfs/dbraw/zinc/91/36/91/1027913691.db2.gz SAUZILNNOQJNHM-DOMZBBRYSA-N 1 2 344.352 3.595 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@H](CC)O1 ZINC000420964659 1027936449 /nfs/dbraw/zinc/93/64/49/1027936449.db2.gz XDIQDQPXYDOZCE-OIISXLGYSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C[C@H](CC)O1 ZINC000420964659 1027936466 /nfs/dbraw/zinc/93/64/66/1027936466.db2.gz XDIQDQPXYDOZCE-OIISXLGYSA-N 1 2 329.444 3.995 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c(C)c[nH+]1 ZINC000536619879 1027954010 /nfs/dbraw/zinc/95/40/10/1027954010.db2.gz HQUDBZWVLCUJJS-MRXNPFEDSA-N 1 2 343.402 3.683 20 0 EHADLO CC(C)(C)[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000132823848 1027969542 /nfs/dbraw/zinc/96/95/42/1027969542.db2.gz ZEQLGLZFZCXVMN-UHFFFAOYSA-N 1 2 339.418 3.602 20 0 EHADLO CC(C)(C)[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000132823848 1027969559 /nfs/dbraw/zinc/96/95/59/1027969559.db2.gz ZEQLGLZFZCXVMN-UHFFFAOYSA-N 1 2 339.418 3.602 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002622 1027980094 /nfs/dbraw/zinc/98/00/94/1027980094.db2.gz DPTFCQYKLYHFFQ-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000421002622 1027980115 /nfs/dbraw/zinc/98/01/15/1027980115.db2.gz DPTFCQYKLYHFFQ-KBPBESRZSA-N 1 2 336.476 3.772 20 0 EHADLO Cc1cc(F)c(CNc2ccc(N3CCOCC3)c[nH+]2)c(Cl)c1 ZINC000459364376 1027982773 /nfs/dbraw/zinc/98/27/73/1027982773.db2.gz ACQLNOABVHESSZ-UHFFFAOYSA-N 1 2 335.810 3.631 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)C3CC(OC(C)(C)C)C3)no2)cc1 ZINC000421005416 1027985049 /nfs/dbraw/zinc/98/50/49/1027985049.db2.gz JGYQGLOVTKLJAB-UHFFFAOYSA-N 1 2 345.443 3.523 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)C3CC(OC(C)(C)C)C3)no2)cc1 ZINC000421005416 1027985062 /nfs/dbraw/zinc/98/50/62/1027985062.db2.gz JGYQGLOVTKLJAB-UHFFFAOYSA-N 1 2 345.443 3.523 20 0 EHADLO CCn1nncc1C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000459366159 1028000858 /nfs/dbraw/zinc/00/08/58/1028000858.db2.gz NFITXUPSBGJDBR-CQSZACIVSA-N 1 2 341.484 3.923 20 0 EHADLO CCn1nncc1C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000459366159 1028000875 /nfs/dbraw/zinc/00/08/75/1028000875.db2.gz NFITXUPSBGJDBR-CQSZACIVSA-N 1 2 341.484 3.923 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)c1 ZINC000513739487 1028027449 /nfs/dbraw/zinc/02/74/49/1028027449.db2.gz ITLZGGOUTUDYSO-WMZOPIPTSA-N 1 2 344.499 3.727 20 0 EHADLO CCS[C@H](C)c1noc(C[NH2+]C2(c3ccccc3)CCOCC2)n1 ZINC000533518476 1028032628 /nfs/dbraw/zinc/03/26/28/1028032628.db2.gz RGBYYCMBQGJNAJ-CQSZACIVSA-N 1 2 347.484 3.679 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NCC1CCCC1 ZINC000454261504 1028044461 /nfs/dbraw/zinc/04/44/61/1028044461.db2.gz HMGTUCUQIQBYEY-UHFFFAOYSA-N 1 2 332.835 3.515 20 0 EHADLO Cn1cc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c(-c2cccs2)n1 ZINC000342908789 1028058630 /nfs/dbraw/zinc/05/86/30/1028058630.db2.gz JDJLCJVVXFMEDO-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO Cn1cc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c(-c2cccs2)n1 ZINC000342908789 1028058649 /nfs/dbraw/zinc/05/86/49/1028058649.db2.gz JDJLCJVVXFMEDO-UHFFFAOYSA-N 1 2 345.418 3.985 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)c2cnccc2N)ccc1OC1CCCC1 ZINC000422942358 1028069135 /nfs/dbraw/zinc/06/91/35/1028069135.db2.gz PLOWGAVEDDMUFG-AWEZNQCLSA-N 1 2 341.455 3.675 20 0 EHADLO Oc1cccc(C[N@@H+](Cc2nc(Cc3ccccc3)no2)CC2CC2)c1 ZINC000120620970 1028083585 /nfs/dbraw/zinc/08/35/85/1028083585.db2.gz CMRXPQSIZQHNHW-UHFFFAOYSA-N 1 2 349.434 3.778 20 0 EHADLO Oc1cccc(C[N@H+](Cc2nc(Cc3ccccc3)no2)CC2CC2)c1 ZINC000120620970 1028083607 /nfs/dbraw/zinc/08/36/07/1028083607.db2.gz CMRXPQSIZQHNHW-UHFFFAOYSA-N 1 2 349.434 3.778 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652001 1028112979 /nfs/dbraw/zinc/11/29/79/1028112979.db2.gz QSNWHGXHNJBAGT-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652001 1028112988 /nfs/dbraw/zinc/11/29/88/1028112988.db2.gz QSNWHGXHNJBAGT-DNVCBOLYSA-N 1 2 336.414 3.990 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000444714450 1028156700 /nfs/dbraw/zinc/15/67/00/1028156700.db2.gz JTILPASRECLCCR-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)cc1 ZINC000444714450 1028156709 /nfs/dbraw/zinc/15/67/09/1028156709.db2.gz JTILPASRECLCCR-MRXNPFEDSA-N 1 2 338.451 3.965 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1cc(F)cc(F)c1 ZINC000444701589 1028177527 /nfs/dbraw/zinc/17/75/27/1028177527.db2.gz HLZFRYVXJDUSGI-QAPCUYQASA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1cc(F)cc(F)c1 ZINC000444701589 1028177536 /nfs/dbraw/zinc/17/75/36/1028177536.db2.gz HLZFRYVXJDUSGI-QAPCUYQASA-N 1 2 336.426 3.578 20 0 EHADLO CC(C)Oc1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414505137 1028182757 /nfs/dbraw/zinc/18/27/57/1028182757.db2.gz LAFVBEIFNJMJFI-UHFFFAOYSA-N 1 2 325.334 3.572 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735339 1028201066 /nfs/dbraw/zinc/20/10/66/1028201066.db2.gz ZJEXTJAFFQSJIQ-IINYFYTJSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1)C(F)(F)F ZINC000444735339 1028201085 /nfs/dbraw/zinc/20/10/85/1028201085.db2.gz ZJEXTJAFFQSJIQ-IINYFYTJSA-N 1 2 346.374 3.538 20 0 EHADLO COc1ccc(C)cc1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455476108 1028209807 /nfs/dbraw/zinc/20/98/07/1028209807.db2.gz LMNQPJKOUPKEBK-UHFFFAOYSA-N 1 2 327.428 3.688 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCOCCc2ccccc2)c(C)[nH+]1 ZINC000455476090 1028210016 /nfs/dbraw/zinc/21/00/16/1028210016.db2.gz LINBRJNMDFIUMS-UHFFFAOYSA-N 1 2 341.455 3.778 20 0 EHADLO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc(Cl)c(Cl)c1 ZINC000546552803 1028217605 /nfs/dbraw/zinc/21/76/05/1028217605.db2.gz KBECTISFTWAITG-VIFPVBQESA-N 1 2 337.210 3.853 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727114 1028220992 /nfs/dbraw/zinc/22/09/92/1028220992.db2.gz POFTVLVPHCDIRV-MDZLAQPJSA-N 1 2 334.382 3.668 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727114 1028221008 /nfs/dbraw/zinc/22/10/08/1028221008.db2.gz POFTVLVPHCDIRV-MDZLAQPJSA-N 1 2 334.382 3.668 20 0 EHADLO Cc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000444741800 1028227492 /nfs/dbraw/zinc/22/74/92/1028227492.db2.gz DUEANHXBNWPNJF-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000444741800 1028227507 /nfs/dbraw/zinc/22/75/07/1028227507.db2.gz DUEANHXBNWPNJF-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO O=C(N[C@H](c1ccccc1F)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153575528 1028241678 /nfs/dbraw/zinc/24/16/78/1028241678.db2.gz FLZCVAHLUNZCED-KXBFYZLASA-N 1 2 341.430 3.632 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1OC ZINC000897483041 1028245006 /nfs/dbraw/zinc/24/50/06/1028245006.db2.gz HZNFLWQMRKIYMH-UHFFFAOYSA-N 1 2 328.243 3.588 20 0 EHADLO COc1cccc(C[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455483030 1028251867 /nfs/dbraw/zinc/25/18/67/1028251867.db2.gz PVQXHZJVNIJMEM-AWEZNQCLSA-N 1 2 327.428 3.768 20 0 EHADLO COc1ccc(C2CC[NH+](Cc3nn(C)c(C)c3Cl)CC2)cc1 ZINC000421319493 1028260451 /nfs/dbraw/zinc/26/04/51/1028260451.db2.gz NFOKIUOKBOPOSY-UHFFFAOYSA-N 1 2 333.863 3.770 20 0 EHADLO Cc1occc1CN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000056553754 1028267118 /nfs/dbraw/zinc/26/71/18/1028267118.db2.gz JJDKFAOYIMDPMP-UHFFFAOYSA-N 1 2 348.472 3.694 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOC[C@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000455519935 1028269667 /nfs/dbraw/zinc/26/96/67/1028269667.db2.gz MKVQWHWLPNSBIX-KRWDZBQOSA-N 1 2 343.402 3.751 20 0 EHADLO CO[C@@](C)(CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455509596 1028287586 /nfs/dbraw/zinc/28/75/86/1028287586.db2.gz GSOYGKJYEBYQOT-IBGZPJMESA-N 1 2 327.428 3.690 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2nccs2)C(F)(F)F)c(C)[nH+]1 ZINC000455509623 1028287787 /nfs/dbraw/zinc/28/77/87/1028287787.db2.gz GTWMRUJGZVKITC-NSHDSACASA-N 1 2 344.362 3.888 20 0 EHADLO CC[C@@H]1CC[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000454279205 1028306646 /nfs/dbraw/zinc/30/66/46/1028306646.db2.gz OUKLRQPIFZXJFB-DLBZAZTESA-N 1 2 344.503 3.792 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c[nH+]1 ZINC000455535748 1028312594 /nfs/dbraw/zinc/31/25/94/1028312594.db2.gz AZHDGEQYMBHGSC-SFHVURJKSA-N 1 2 327.403 3.884 20 0 EHADLO CCC(CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000015084291 1028316814 /nfs/dbraw/zinc/31/68/14/1028316814.db2.gz AQTNKGOGKUGOCR-UHFFFAOYSA-N 1 2 325.456 3.531 20 0 EHADLO CCC(CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000015084291 1028316832 /nfs/dbraw/zinc/31/68/32/1028316832.db2.gz AQTNKGOGKUGOCR-UHFFFAOYSA-N 1 2 325.456 3.531 20 0 EHADLO CC[C@H]1C[C@@]1([NH2+]Cc1csc(NC(C)=O)n1)c1cccc(C)c1 ZINC000502541268 1028324145 /nfs/dbraw/zinc/32/41/45/1028324145.db2.gz JMSJCWUPDOQHDM-KSSFIOAISA-N 1 2 329.469 3.825 20 0 EHADLO Nc1ccc(CNc2ncnc3scc(-c4ccccc4)c32)c[nH+]1 ZINC000444833730 1028336837 /nfs/dbraw/zinc/33/68/37/1028336837.db2.gz CLRMBKQTPIGIGP-UHFFFAOYSA-N 1 2 333.420 3.778 20 0 EHADLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000067657401 1028372676 /nfs/dbraw/zinc/37/26/76/1028372676.db2.gz BSAVLDMVAGIFHM-APWZRJJASA-N 1 2 340.492 3.654 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCCC(C)(C)C)C1 ZINC000138925262 1028382154 /nfs/dbraw/zinc/38/21/54/1028382154.db2.gz HCZBOZDBLATPHT-MRXNPFEDSA-N 1 2 334.508 3.601 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c[nH+]1 ZINC000897332681 1028410657 /nfs/dbraw/zinc/41/06/57/1028410657.db2.gz MXVIPPBUSCNYFG-GOSISDBHSA-N 1 2 341.430 3.818 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000069085394 1028417800 /nfs/dbraw/zinc/41/78/00/1028417800.db2.gz FYCYNMNQQRZJCU-CQSZACIVSA-N 1 2 325.368 3.675 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000069085394 1028417813 /nfs/dbraw/zinc/41/78/13/1028417813.db2.gz FYCYNMNQQRZJCU-CQSZACIVSA-N 1 2 325.368 3.675 20 0 EHADLO C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069104233 1028420372 /nfs/dbraw/zinc/42/03/72/1028420372.db2.gz VFOZQJJANUKQDE-ZDUSSCGKSA-N 1 2 342.374 3.507 20 0 EHADLO COc1ccc(CCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000061162604 1028427688 /nfs/dbraw/zinc/42/76/88/1028427688.db2.gz JWFGDHFKBMZCHA-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635541 1028504323 /nfs/dbraw/zinc/50/43/23/1028504323.db2.gz HFILSFJGVJBTQE-CVEARBPZSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635541 1028504336 /nfs/dbraw/zinc/50/43/36/1028504336.db2.gz HFILSFJGVJBTQE-CVEARBPZSA-N 1 2 340.467 3.856 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC(C)(c3ccccc3)CC2)c[nH+]1 ZINC000455568510 1028524122 /nfs/dbraw/zinc/52/41/22/1028524122.db2.gz JMBWWJZWXPXRTH-UHFFFAOYSA-N 1 2 337.467 3.962 20 0 EHADLO CCOc1ccc(OCCCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421561376 1028537627 /nfs/dbraw/zinc/53/76/27/1028537627.db2.gz SHEUUJYIAGJDFW-UHFFFAOYSA-N 1 2 342.439 3.573 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(C(C)C)n1C ZINC000194535440 1028539905 /nfs/dbraw/zinc/53/99/05/1028539905.db2.gz ZNGXVDIHGDFMAJ-UHFFFAOYSA-N 1 2 327.457 3.725 20 0 EHADLO c1cn2cc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2s1 ZINC000194731187 1028542994 /nfs/dbraw/zinc/54/29/94/1028542994.db2.gz JTIWUYHFTGCDTO-OAHLLOKOSA-N 1 2 341.436 3.504 20 0 EHADLO c1cn2cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2s1 ZINC000194731187 1028543006 /nfs/dbraw/zinc/54/30/06/1028543006.db2.gz JTIWUYHFTGCDTO-OAHLLOKOSA-N 1 2 341.436 3.504 20 0 EHADLO Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCCn2cc[nH+]c2)o1 ZINC000434223033 1028554437 /nfs/dbraw/zinc/55/44/37/1028554437.db2.gz OVDAFUZGXNSBFY-UHFFFAOYSA-N 1 2 344.802 3.927 20 0 EHADLO Cc1onc(-c2ccccc2C)c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579218 1028575471 /nfs/dbraw/zinc/57/54/71/1028575471.db2.gz TWTBFNXRWCYVSE-UHFFFAOYSA-N 1 2 335.407 3.900 20 0 EHADLO O[C@@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1c(F)cccc1F ZINC000195069939 1028576174 /nfs/dbraw/zinc/57/61/74/1028576174.db2.gz AWYSHBRBZDASKF-DOTOQJQBSA-N 1 2 346.402 3.834 20 0 EHADLO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC001271788626 1028593658 /nfs/dbraw/zinc/59/36/58/1028593658.db2.gz BGVSJRMPCPBEAS-MRXNPFEDSA-N 1 2 346.519 3.650 20 0 EHADLO CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC001271788626 1028593672 /nfs/dbraw/zinc/59/36/72/1028593672.db2.gz BGVSJRMPCPBEAS-MRXNPFEDSA-N 1 2 346.519 3.650 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cnc1F ZINC000894285814 1028606118 /nfs/dbraw/zinc/60/61/18/1028606118.db2.gz QUNXDDFQOCIQSL-LJQANCHMSA-N 1 2 349.450 3.505 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cnc1F ZINC000894285814 1028606127 /nfs/dbraw/zinc/60/61/27/1028606127.db2.gz QUNXDDFQOCIQSL-LJQANCHMSA-N 1 2 349.450 3.505 20 0 EHADLO CC(C)c1ccccc1OCC(=O)NCCCCNc1cccc[nH+]1 ZINC000520991041 1028662401 /nfs/dbraw/zinc/66/24/01/1028662401.db2.gz AAZUXPBJCWAUBH-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO COc1c(C)cnc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000245457936 1028712459 /nfs/dbraw/zinc/71/24/59/1028712459.db2.gz CIBRXQVTUFXJCZ-OYLFLEFRSA-N 1 2 346.496 3.637 20 0 EHADLO COc1c(C)cnc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000245457936 1028712478 /nfs/dbraw/zinc/71/24/78/1028712478.db2.gz CIBRXQVTUFXJCZ-OYLFLEFRSA-N 1 2 346.496 3.637 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1cccnc1 ZINC000245456187 1028712642 /nfs/dbraw/zinc/71/26/42/1028712642.db2.gz ISTKBNLRXGVYKE-UONOGXRCSA-N 1 2 344.484 3.512 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1cccnc1 ZINC000245456187 1028712658 /nfs/dbraw/zinc/71/26/58/1028712658.db2.gz ISTKBNLRXGVYKE-UONOGXRCSA-N 1 2 344.484 3.512 20 0 EHADLO CC(C)(C)C1CC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000454317928 1028759394 /nfs/dbraw/zinc/75/93/94/1028759394.db2.gz ABDICTIJKGKEMA-UHFFFAOYSA-N 1 2 340.471 3.555 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C)CC2)nc1-c1ccncc1 ZINC000052085731 1028772516 /nfs/dbraw/zinc/77/25/16/1028772516.db2.gz HLPIQDZWYPDYLE-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H](C)CC2)nc1-c1ccncc1 ZINC000052085731 1028772531 /nfs/dbraw/zinc/77/25/31/1028772531.db2.gz HLPIQDZWYPDYLE-CQSZACIVSA-N 1 2 331.489 3.575 20 0 EHADLO CCOc1cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)ccc1O ZINC000445429614 1028773967 /nfs/dbraw/zinc/77/39/67/1028773967.db2.gz FKCPAILYVAWQKK-UHFFFAOYSA-N 1 2 348.362 3.694 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247324416 1028776584 /nfs/dbraw/zinc/77/65/84/1028776584.db2.gz GELOJBNIZCBFAZ-GPMSIDNRSA-N 1 2 343.446 3.701 20 0 EHADLO OC[C@@]1([NH2+]Cc2c(Cl)oc3ccccc32)CCOc2ccccc21 ZINC000282048659 1028778671 /nfs/dbraw/zinc/77/86/71/1028778671.db2.gz AYEFLXBYWAEBLU-IBGZPJMESA-N 1 2 343.810 3.846 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCSC3(CCCCC3)C2)cs1 ZINC000079504633 1028785152 /nfs/dbraw/zinc/78/51/52/1028785152.db2.gz QJZKSVJAEBAKRH-UHFFFAOYSA-N 1 2 340.514 3.572 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCSC3(CCCCC3)C2)cs1 ZINC000079504633 1028785171 /nfs/dbraw/zinc/78/51/71/1028785171.db2.gz QJZKSVJAEBAKRH-UHFFFAOYSA-N 1 2 340.514 3.572 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245544524 1028796496 /nfs/dbraw/zinc/79/64/96/1028796496.db2.gz UQGYCOYXNWSLLB-PBHICJAKSA-N 1 2 343.496 3.672 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245544524 1028796512 /nfs/dbraw/zinc/79/65/12/1028796512.db2.gz UQGYCOYXNWSLLB-PBHICJAKSA-N 1 2 343.496 3.672 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247665248 1028806736 /nfs/dbraw/zinc/80/67/36/1028806736.db2.gz QITWRIQDFIVULH-NEWSRXKRSA-N 1 2 325.456 3.732 20 0 EHADLO Fc1c(Cl)ccc(Br)c1C[NH+]1CCC2(CCO2)CC1 ZINC000894264200 1028812631 /nfs/dbraw/zinc/81/26/31/1028812631.db2.gz VYSYWXYLQPOIFZ-UHFFFAOYSA-N 1 2 348.643 3.997 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)c1nnc2n1CCCCC2 ZINC000421826965 1028814510 /nfs/dbraw/zinc/81/45/10/1028814510.db2.gz VRARBYZNLSOSEI-SWLSCSKDSA-N 1 2 333.867 3.855 20 0 EHADLO COc1cc2c(c(C[N@@H+]3CCO[C@@H](c4cccs4)C3)c1)O[C@H](C)C2 ZINC000245562691 1028845898 /nfs/dbraw/zinc/84/58/98/1028845898.db2.gz PBMLRHANYNOUKB-CXAGYDPISA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(c(C[N@H+]3CCO[C@@H](c4cccs4)C3)c1)O[C@H](C)C2 ZINC000245562691 1028845916 /nfs/dbraw/zinc/84/59/16/1028845916.db2.gz PBMLRHANYNOUKB-CXAGYDPISA-N 1 2 345.464 3.654 20 0 EHADLO Fc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Br ZINC000414556575 1028847714 /nfs/dbraw/zinc/84/77/14/1028847714.db2.gz OMKLGZVOBVWGMB-UHFFFAOYSA-N 1 2 342.237 3.607 20 0 EHADLO O=C(N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[C@]12C[C@H]1CCC2 ZINC000421883759 1028887354 /nfs/dbraw/zinc/88/73/54/1028887354.db2.gz KAVNBYSFACDXEM-VQIMIIECSA-N 1 2 343.858 3.756 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCCCc2ccc(Cl)cc2)c[nH+]1 ZINC000454419220 1028904050 /nfs/dbraw/zinc/90/40/50/1028904050.db2.gz GUXJKNNUAKQTND-UHFFFAOYSA-N 1 2 331.847 3.784 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000076184388 1028919323 /nfs/dbraw/zinc/91/93/23/1028919323.db2.gz HBJSICRESRVKTN-RDJZCZTQSA-N 1 2 333.453 3.527 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000076184388 1028919331 /nfs/dbraw/zinc/91/93/31/1028919331.db2.gz HBJSICRESRVKTN-RDJZCZTQSA-N 1 2 333.453 3.527 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000343071464 1028963545 /nfs/dbraw/zinc/96/35/45/1028963545.db2.gz AOHDUAHJLJPBHZ-MOPGFXCFSA-N 1 2 331.419 3.567 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)cc2C)s1 ZINC000424337691 1028974500 /nfs/dbraw/zinc/97/45/00/1028974500.db2.gz ZTOHGEQUJHTIOE-VXGBXAGGSA-N 1 2 334.441 3.659 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123628651 1028976327 /nfs/dbraw/zinc/97/63/27/1028976327.db2.gz AWPPKBUWPANGFP-MWLCHTKSSA-N 1 2 344.267 3.975 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC000249062289 1028982866 /nfs/dbraw/zinc/98/28/66/1028982866.db2.gz GZGNXLFZKZOSRX-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC000249062289 1028982881 /nfs/dbraw/zinc/98/28/81/1028982881.db2.gz GZGNXLFZKZOSRX-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091927005 1029026064 /nfs/dbraw/zinc/02/60/64/1029026064.db2.gz SGLLXMKOPKVPDV-FUHWJXTLSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091927005 1029026078 /nfs/dbraw/zinc/02/60/78/1029026078.db2.gz SGLLXMKOPKVPDV-FUHWJXTLSA-N 1 2 349.377 3.605 20 0 EHADLO CC[N@@H+](Cc1ccc(C)cc1Br)C[C@H](O)C(F)(F)F ZINC000428414433 1029043767 /nfs/dbraw/zinc/04/37/67/1029043767.db2.gz PNZKUWYMVRSORE-LBPRGKRZSA-N 1 2 340.183 3.503 20 0 EHADLO CC[N@H+](Cc1ccc(C)cc1Br)C[C@H](O)C(F)(F)F ZINC000428414433 1029043778 /nfs/dbraw/zinc/04/37/78/1029043778.db2.gz PNZKUWYMVRSORE-LBPRGKRZSA-N 1 2 340.183 3.503 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123864902 1029055786 /nfs/dbraw/zinc/05/57/86/1029055786.db2.gz FURBUGYAOBNQOQ-CVEARBPZSA-N 1 2 327.428 3.727 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(F)(F)F ZINC000079701301 1029072362 /nfs/dbraw/zinc/07/23/62/1029072362.db2.gz DQOHXPIVFMEANA-JTQLQIEISA-N 1 2 335.395 3.512 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cccc(COCC3CC3)c2)c[nH+]1 ZINC000454598522 1029088421 /nfs/dbraw/zinc/08/84/21/1029088421.db2.gz LNTFSEMZAQRIGC-UHFFFAOYSA-N 1 2 339.439 3.947 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123973679 1029088425 /nfs/dbraw/zinc/08/84/25/1029088425.db2.gz JFUWZWFBQHHPOB-JZXOWHBKSA-N 1 2 343.496 3.615 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cnnn1-c1ccccc1 ZINC000924970579 1029093073 /nfs/dbraw/zinc/09/30/73/1029093073.db2.gz RJVINNNKDYHDGT-CYBMUJFWSA-N 1 2 341.484 3.872 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000445787647 1029126792 /nfs/dbraw/zinc/12/67/92/1029126792.db2.gz RMVCUKDCYLMEKX-KRWDZBQOSA-N 1 2 336.888 3.844 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000445787647 1029126800 /nfs/dbraw/zinc/12/68/00/1029126800.db2.gz RMVCUKDCYLMEKX-KRWDZBQOSA-N 1 2 336.888 3.844 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960733 1029128394 /nfs/dbraw/zinc/12/83/94/1029128394.db2.gz AGHINPMEUMURBD-IRXDYDNUSA-N 1 2 339.863 3.835 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960733 1029128403 /nfs/dbraw/zinc/12/84/03/1029128403.db2.gz AGHINPMEUMURBD-IRXDYDNUSA-N 1 2 339.863 3.835 20 0 EHADLO CN(Cc1c[nH+]cn1Cc1ccccc1)Cc1nc2ccccc2o1 ZINC000445813580 1029148941 /nfs/dbraw/zinc/14/89/41/1029148941.db2.gz KPGMJKZYXZNDHB-UHFFFAOYSA-N 1 2 332.407 3.705 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnnn1C1CC1 ZINC000271763138 1029159747 /nfs/dbraw/zinc/15/97/47/1029159747.db2.gz GMLBWKSQFNXFHR-KRWDZBQOSA-N 1 2 343.475 3.674 20 0 EHADLO COc1ccc([C@@H](C)C[N@@H+]2CCOC[C@H]2c2nc(C)cs2)cc1 ZINC000251848592 1029163488 /nfs/dbraw/zinc/16/34/88/1029163488.db2.gz PPDWXRKDSVWYEN-GUYCJALGSA-N 1 2 332.469 3.637 20 0 EHADLO COc1ccc([C@@H](C)C[N@H+]2CCOC[C@H]2c2nc(C)cs2)cc1 ZINC000251848592 1029163492 /nfs/dbraw/zinc/16/34/92/1029163492.db2.gz PPDWXRKDSVWYEN-GUYCJALGSA-N 1 2 332.469 3.637 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@@H+]2CCc3ncsc3C2)c1 ZINC000445854030 1029173201 /nfs/dbraw/zinc/17/32/01/1029173201.db2.gz OYZJRFXPPKIUEZ-UHFFFAOYSA-N 1 2 329.252 3.887 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@H+]2CCc3ncsc3C2)c1 ZINC000445854030 1029173208 /nfs/dbraw/zinc/17/32/08/1029173208.db2.gz OYZJRFXPPKIUEZ-UHFFFAOYSA-N 1 2 329.252 3.887 20 0 EHADLO COc1ccsc1C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000475635743 1029178531 /nfs/dbraw/zinc/17/85/31/1029178531.db2.gz RFDCYBDLEWPIQD-LLVKDONJSA-N 1 2 332.252 3.887 20 0 EHADLO COc1ccsc1C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000475635744 1029179138 /nfs/dbraw/zinc/17/91/38/1029179138.db2.gz RFDCYBDLEWPIQD-NSHDSACASA-N 1 2 332.252 3.887 20 0 EHADLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000533017309 1029200936 /nfs/dbraw/zinc/20/09/36/1029200936.db2.gz VYLDAMLNMPDFSZ-ZDUSSCGKSA-N 1 2 347.484 3.513 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054117 1029246332 /nfs/dbraw/zinc/24/63/32/1029246332.db2.gz YXODSELYDRCRMU-HZPDHXFCSA-N 1 2 339.483 3.706 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054117 1029246345 /nfs/dbraw/zinc/24/63/45/1029246345.db2.gz YXODSELYDRCRMU-HZPDHXFCSA-N 1 2 339.483 3.706 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C=CCCC2)c(C)c1 ZINC000533069701 1029267114 /nfs/dbraw/zinc/26/71/14/1029267114.db2.gz IINDBESIJJXLTD-HKUYNNGSSA-N 1 2 338.455 3.649 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC[C@H]1Cc1ccccc1 ZINC000272157658 1029338016 /nfs/dbraw/zinc/33/80/16/1029338016.db2.gz AAIBEQFZLKZDMK-IBGZPJMESA-N 1 2 346.434 3.505 20 0 EHADLO Cc1cc2n[nH]cc2cc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343127414 1029347641 /nfs/dbraw/zinc/34/76/41/1029347641.db2.gz YVLUAUUVQWSJCP-INIZCTEOSA-N 1 2 345.406 3.755 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2ccccc2F)CCCC1 ZINC000357669535 1029349525 /nfs/dbraw/zinc/34/95/25/1029349525.db2.gz YZHXHXXXBRGKPJ-UHFFFAOYSA-N 1 2 341.430 3.767 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCO[C@@H](CC)C1 ZINC000524638075 1029373775 /nfs/dbraw/zinc/37/37/75/1029373775.db2.gz GRCOGKCYACUGQL-HNNXBMFYSA-N 1 2 342.439 3.644 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000245851929 1029382491 /nfs/dbraw/zinc/38/24/91/1029382491.db2.gz BPTXNXFCUWNAAR-CADBVGFASA-N 1 2 343.515 3.808 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[C@H](F)C1 ZINC000424855013 1029389296 /nfs/dbraw/zinc/38/92/96/1029389296.db2.gz SLPJFTWWMAKYBE-STQMWFEESA-N 1 2 335.810 3.670 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000272297251 1029404460 /nfs/dbraw/zinc/40/44/60/1029404460.db2.gz TUIKAMBDHHVMRQ-OYLFLEFRSA-N 1 2 343.496 3.982 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454878757 1029425994 /nfs/dbraw/zinc/42/59/94/1029425994.db2.gz XDFCZHPJDFIDTB-ZFWWWQNUSA-N 1 2 343.858 3.851 20 0 EHADLO C[C@](O)(C[NH2+][C@H](CCc1ccccc1)C(F)F)c1cccs1 ZINC000272348560 1029427831 /nfs/dbraw/zinc/42/78/31/1029427831.db2.gz ODVGYLALLHGMRP-PBHICJAKSA-N 1 2 325.424 3.812 20 0 EHADLO CC[C@@H](C)Oc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272351392 1029429239 /nfs/dbraw/zinc/42/92/39/1029429239.db2.gz AKUFZLSYUUZWJH-RHSMWYFYSA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@@H](C)Oc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272351392 1029429249 /nfs/dbraw/zinc/42/92/49/1029429249.db2.gz AKUFZLSYUUZWJH-RHSMWYFYSA-N 1 2 345.443 3.696 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1CCC1CCCC1 ZINC000272377146 1029439536 /nfs/dbraw/zinc/43/95/36/1029439536.db2.gz VMJLIEWGYLQHQS-KRWDZBQOSA-N 1 2 338.455 3.842 20 0 EHADLO COC(=O)[C@H](C)Oc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000414827020 1029443165 /nfs/dbraw/zinc/44/31/65/1029443165.db2.gz ARPSDTSJKREGOF-AWEZNQCLSA-N 1 2 340.423 3.597 20 0 EHADLO C[C@](O)(C[NH2+][C@@H](CCc1ccccc1)C(F)F)c1ccsc1 ZINC000272459526 1029468226 /nfs/dbraw/zinc/46/82/26/1029468226.db2.gz GYNAWQNBKJIIQL-RDJZCZTQSA-N 1 2 325.424 3.812 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)s1 ZINC000545952250 1029487604 /nfs/dbraw/zinc/48/76/04/1029487604.db2.gz KWLRPKXHXABWBG-CQSZACIVSA-N 1 2 336.423 3.792 20 0 EHADLO CC1(C)CC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454947408 1029488186 /nfs/dbraw/zinc/48/81/86/1029488186.db2.gz HHKIMVSWWJQPOE-HNNXBMFYSA-N 1 2 332.835 3.514 20 0 EHADLO COCC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccco1 ZINC000272544718 1029505954 /nfs/dbraw/zinc/50/59/54/1029505954.db2.gz LLWUHIBGYOJPSV-AWEZNQCLSA-N 1 2 329.425 3.666 20 0 EHADLO CCCCCN(CCCOC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272590286 1029523698 /nfs/dbraw/zinc/52/36/98/1029523698.db2.gz MRLVCPDVQMFTIK-UHFFFAOYSA-N 1 2 329.444 3.541 20 0 EHADLO CCc1ncc(C[NH2+]Cc2ccc(Br)cc2Cl)o1 ZINC000449611419 1029529385 /nfs/dbraw/zinc/52/93/85/1029529385.db2.gz VPJSJQBSTZXEOQ-UHFFFAOYSA-N 1 2 329.625 3.943 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1c1ccccc1 ZINC000524811219 1029530227 /nfs/dbraw/zinc/53/02/27/1029530227.db2.gz FDHLNXPUAHSCRK-GOSISDBHSA-N 1 2 326.827 3.504 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1c1ccccc1 ZINC000524811219 1029530239 /nfs/dbraw/zinc/53/02/39/1029530239.db2.gz FDHLNXPUAHSCRK-GOSISDBHSA-N 1 2 326.827 3.504 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000272627874 1029541870 /nfs/dbraw/zinc/54/18/70/1029541870.db2.gz KAHBTNVLRFKMOZ-OAHLLOKOSA-N 1 2 333.457 3.549 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000272627874 1029541875 /nfs/dbraw/zinc/54/18/75/1029541875.db2.gz KAHBTNVLRFKMOZ-OAHLLOKOSA-N 1 2 333.457 3.549 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434304182 1029556575 /nfs/dbraw/zinc/55/65/75/1029556575.db2.gz DJSVVTPONLCYRP-GFCCVEGCSA-N 1 2 349.887 3.950 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434304182 1029556583 /nfs/dbraw/zinc/55/65/83/1029556583.db2.gz DJSVVTPONLCYRP-GFCCVEGCSA-N 1 2 349.887 3.950 20 0 EHADLO CCOc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000054034271 1029563724 /nfs/dbraw/zinc/56/37/24/1029563724.db2.gz YPDALJVDRWSILG-UHFFFAOYSA-N 1 2 337.379 3.532 20 0 EHADLO COc1ccc(CCCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434315147 1029563657 /nfs/dbraw/zinc/56/36/57/1029563657.db2.gz OFPAFEILCTYNIL-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO COc1ccc(CCCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434315147 1029563665 /nfs/dbraw/zinc/56/36/65/1029563665.db2.gz OFPAFEILCTYNIL-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000524854369 1029566458 /nfs/dbraw/zinc/56/64/58/1029566458.db2.gz RBFVZCVMGGGZAA-LJQANCHMSA-N 1 2 337.467 3.560 20 0 EHADLO Cc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c(OC(C)C)c1 ZINC000446402184 1029633468 /nfs/dbraw/zinc/63/34/68/1029633468.db2.gz FTWJXIKOUFRRAP-UHFFFAOYSA-N 1 2 349.434 3.898 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000126092789 1029663396 /nfs/dbraw/zinc/66/33/96/1029663396.db2.gz WQWFOTUDDRQVIA-RBUKOAKNSA-N 1 2 338.430 3.531 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000114704509 1029689893 /nfs/dbraw/zinc/68/98/93/1029689893.db2.gz PITMAEKWTIIOCE-FGTMMUONSA-N 1 2 329.488 3.503 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(C2CCC2)CCC1 ZINC000455615854 1029757383 /nfs/dbraw/zinc/75/73/83/1029757383.db2.gz JMSKGSZKZLTPFD-UHFFFAOYSA-N 1 2 346.519 3.838 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2c1 ZINC000080267306 1029768031 /nfs/dbraw/zinc/76/80/31/1029768031.db2.gz PBAFJJRRXNHPHK-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CC[C@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446785305 1029800491 /nfs/dbraw/zinc/80/04/91/1029800491.db2.gz PCOLFZWQMWDXEG-DOMZBBRYSA-N 1 2 335.448 3.688 20 0 EHADLO CC[C@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CCS1 ZINC000446785305 1029800499 /nfs/dbraw/zinc/80/04/99/1029800499.db2.gz PCOLFZWQMWDXEG-DOMZBBRYSA-N 1 2 335.448 3.688 20 0 EHADLO C[C@H]1C[C@H](C)N(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445257 1029851475 /nfs/dbraw/zinc/85/14/75/1029851475.db2.gz GTJKWZMDWWIIDA-RDBSUJKOSA-N 1 2 336.505 3.637 20 0 EHADLO C[C@H]1C[C@H](C)N(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000525445257 1029851479 /nfs/dbraw/zinc/85/14/79/1029851479.db2.gz GTJKWZMDWWIIDA-RDBSUJKOSA-N 1 2 336.505 3.637 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000446937277 1029860123 /nfs/dbraw/zinc/86/01/23/1029860123.db2.gz CTIRGXDYWLVHTL-OLZOCXBDSA-N 1 2 325.441 3.715 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000446937278 1029860413 /nfs/dbraw/zinc/86/04/13/1029860413.db2.gz CTIRGXDYWLVHTL-QWHCGFSZSA-N 1 2 325.441 3.715 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000455716527 1029869461 /nfs/dbraw/zinc/86/94/61/1029869461.db2.gz PZCJCSWZERLMES-RBUKOAKNSA-N 1 2 337.467 3.898 20 0 EHADLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000127349017 1029869866 /nfs/dbraw/zinc/86/98/66/1029869866.db2.gz MDIONAOHMYXCIF-IUODEOHRSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000475648804 1029871753 /nfs/dbraw/zinc/87/17/53/1029871753.db2.gz VPKGTLGCMMZINE-CJNGLKHVSA-N 1 2 349.425 3.954 20 0 EHADLO CCOc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000080441947 1029879866 /nfs/dbraw/zinc/87/98/66/1029879866.db2.gz IFSOEILXEYOVPN-UHFFFAOYSA-N 1 2 339.370 3.591 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(OC(F)F)c1 ZINC000162790085 1029885764 /nfs/dbraw/zinc/88/57/64/1029885764.db2.gz BSSLFBXDLFBVDC-UHFFFAOYSA-N 1 2 329.306 3.930 20 0 EHADLO C[N@H+](Cc1nc(Cc2cc3ccccc3s2)no1)[C@H]1CCSC1 ZINC000453209647 1029911962 /nfs/dbraw/zinc/91/19/62/1029911962.db2.gz DVTYVLBKRRQCJW-ZDUSSCGKSA-N 1 2 345.493 3.812 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cc3ccccc3s2)no1)[C@H]1CCSC1 ZINC000453209647 1029911985 /nfs/dbraw/zinc/91/19/85/1029911985.db2.gz DVTYVLBKRRQCJW-ZDUSSCGKSA-N 1 2 345.493 3.812 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 ZINC000458559083 1029919604 /nfs/dbraw/zinc/91/96/04/1029919604.db2.gz BDJWNBVJOHJALV-LJQANCHMSA-N 1 2 340.471 3.583 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1C(C)(F)F ZINC000455773476 1029925788 /nfs/dbraw/zinc/92/57/88/1029925788.db2.gz PGRICYHPPCEFDQ-UHFFFAOYSA-N 1 2 348.397 3.995 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)c1ccc(F)c(F)c1 ZINC000647295934 1029930496 /nfs/dbraw/zinc/93/04/96/1029930496.db2.gz YWGBDTDJQWREDH-XIKOKIGWSA-N 1 2 335.398 3.536 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)no1 ZINC000481770551 1029938210 /nfs/dbraw/zinc/93/82/10/1029938210.db2.gz XSFPFRRCVUKFOG-ROUUACIJSA-N 1 2 343.471 3.652 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000481763881 1029943708 /nfs/dbraw/zinc/94/37/08/1029943708.db2.gz WIAHBOZDJGPOJT-UHFFFAOYSA-N 1 2 326.827 3.826 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000481763881 1029943715 /nfs/dbraw/zinc/94/37/15/1029943715.db2.gz WIAHBOZDJGPOJT-UHFFFAOYSA-N 1 2 326.827 3.826 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000509643717 1029960023 /nfs/dbraw/zinc/96/00/23/1029960023.db2.gz OKCCPUPNVNMYQG-UHFFFAOYSA-N 1 2 335.753 3.901 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000583508932 1029983170 /nfs/dbraw/zinc/98/31/70/1029983170.db2.gz YDRHFEWBJOJZQW-YGRLFVJLSA-N 1 2 335.860 3.595 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000583508932 1029983176 /nfs/dbraw/zinc/98/31/76/1029983176.db2.gz YDRHFEWBJOJZQW-YGRLFVJLSA-N 1 2 335.860 3.595 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000531899138 1030007964 /nfs/dbraw/zinc/00/79/64/1030007964.db2.gz DCMAFROZQKACDO-AWEZNQCLSA-N 1 2 346.858 3.697 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531899138 1030007984 /nfs/dbraw/zinc/00/79/84/1030007984.db2.gz DCMAFROZQKACDO-AWEZNQCLSA-N 1 2 346.858 3.697 20 0 EHADLO COCC1(c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000453280126 1030019728 /nfs/dbraw/zinc/01/97/28/1030019728.db2.gz BKXTYVCAEKDARR-QGZVFWFLSA-N 1 2 341.455 3.865 20 0 EHADLO COCC1(c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000453280126 1030019747 /nfs/dbraw/zinc/01/97/47/1030019747.db2.gz BKXTYVCAEKDARR-QGZVFWFLSA-N 1 2 341.455 3.865 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923228 1030030929 /nfs/dbraw/zinc/03/09/29/1030030929.db2.gz WUNBARATLSVSQY-MRXNPFEDSA-N 1 2 335.455 3.526 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923228 1030030949 /nfs/dbraw/zinc/03/09/49/1030030949.db2.gz WUNBARATLSVSQY-MRXNPFEDSA-N 1 2 335.455 3.526 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000089943936 1030033071 /nfs/dbraw/zinc/03/30/71/1030033071.db2.gz JXGRXHJBDXIDBO-UHFFFAOYSA-N 1 2 333.391 3.695 20 0 EHADLO CCCCCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000120540381 1030042481 /nfs/dbraw/zinc/04/24/81/1030042481.db2.gz LUVYUIPVWZIHKK-UHFFFAOYSA-N 1 2 328.460 3.983 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)sc1Br ZINC000453272510 1030053969 /nfs/dbraw/zinc/05/39/69/1030053969.db2.gz VIKBNWGPLPQUFK-QMMMGPOBSA-N 1 2 327.247 3.770 20 0 EHADLO COCc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058622884 1030061961 /nfs/dbraw/zinc/06/19/61/1030061961.db2.gz XOGNWMXBYQCLHL-UHFFFAOYSA-N 1 2 343.427 3.517 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000156879997 1030089615 /nfs/dbraw/zinc/08/96/15/1030089615.db2.gz OMRXXTKOARNHRP-MAUKXSAKSA-N 1 2 330.472 3.592 20 0 EHADLO CC(C)c1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000556051561 1030109958 /nfs/dbraw/zinc/10/99/58/1030109958.db2.gz FJOSJNVDNNBNGL-LJQANCHMSA-N 1 2 338.430 3.989 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000066155629 1030124354 /nfs/dbraw/zinc/12/43/54/1030124354.db2.gz AITJLYFPFFUVRJ-UHFFFAOYSA-N 1 2 345.874 3.785 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453349569 1030138514 /nfs/dbraw/zinc/13/85/14/1030138514.db2.gz DMLPJKUTRAWOKE-LLVKDONJSA-N 1 2 336.819 3.612 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000667983873 1030165472 /nfs/dbraw/zinc/16/54/72/1030165472.db2.gz CSAHUHHWDQHMNW-LJQANCHMSA-N 1 2 339.483 3.521 20 0 EHADLO Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000667983873 1030165480 /nfs/dbraw/zinc/16/54/80/1030165480.db2.gz CSAHUHHWDQHMNW-LJQANCHMSA-N 1 2 339.483 3.521 20 0 EHADLO c1nc(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)cs1 ZINC001137594633 1030224585 /nfs/dbraw/zinc/22/45/85/1030224585.db2.gz LAOAIOJMZLTETQ-UHFFFAOYSA-N 1 2 326.425 3.573 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c(F)c1 ZINC000657773168 1030226892 /nfs/dbraw/zinc/22/68/92/1030226892.db2.gz MWTNYPJHQLAFNH-HNNXBMFYSA-N 1 2 344.213 3.964 20 0 EHADLO COc1ccc(F)cc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657773940 1030262735 /nfs/dbraw/zinc/26/27/35/1030262735.db2.gz WRPWCFMTFXEDBW-CQSZACIVSA-N 1 2 344.213 3.964 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000458621471 1030333325 /nfs/dbraw/zinc/33/33/25/1030333325.db2.gz PXUPHCALKDDRSC-YQVWRLOYSA-N 1 2 349.425 3.508 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000458621471 1030333342 /nfs/dbraw/zinc/33/33/42/1030333342.db2.gz PXUPHCALKDDRSC-YQVWRLOYSA-N 1 2 349.425 3.508 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)s1 ZINC000537636797 1030336632 /nfs/dbraw/zinc/33/66/32/1030336632.db2.gz WTSQWKFLVVJSES-QAPCUYQASA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)s1 ZINC000537636797 1030336639 /nfs/dbraw/zinc/33/66/39/1030336639.db2.gz WTSQWKFLVVJSES-QAPCUYQASA-N 1 2 345.512 3.951 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000157191132 1030340872 /nfs/dbraw/zinc/34/08/72/1030340872.db2.gz JZTMEASAMRSVLZ-KDOFPFPSSA-N 1 2 336.439 3.705 20 0 EHADLO COc1c(Cl)cccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129094762 1030360965 /nfs/dbraw/zinc/36/09/65/1030360965.db2.gz BQJYOEVSDAVJAF-SWLSCSKDSA-N 1 2 348.834 3.660 20 0 EHADLO O=C(Nc1cccc(F)c1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583650439 1030374315 /nfs/dbraw/zinc/37/43/15/1030374315.db2.gz NQGMHXOOVGXYTG-GFCCVEGCSA-N 1 2 335.766 3.559 20 0 EHADLO Cc1cc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000532111468 1030414266 /nfs/dbraw/zinc/41/42/66/1030414266.db2.gz BQSIPXNDMRSCGL-HNNXBMFYSA-N 1 2 333.476 3.857 20 0 EHADLO Cc1cccc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)[nH+]1 ZINC000157372242 1030486029 /nfs/dbraw/zinc/48/60/29/1030486029.db2.gz FLDJYADKRRAHDS-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO Cn1ncc(Br)c1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000278383234 1030507897 /nfs/dbraw/zinc/50/78/97/1030507897.db2.gz LQZMJMCAPQRZNM-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO CC(C)c1cncc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000888237275 1030510424 /nfs/dbraw/zinc/51/04/24/1030510424.db2.gz ZALQVIHYOCJYKH-ZDUSSCGKSA-N 1 2 326.322 3.534 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccn3)n2)cc1F ZINC000532268000 1030514105 /nfs/dbraw/zinc/51/41/05/1030514105.db2.gz XNGLHUINYYRRFB-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccccn3)n2)cc1F ZINC000532268000 1030514116 /nfs/dbraw/zinc/51/41/16/1030514116.db2.gz XNGLHUINYYRRFB-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(Cl)c1C ZINC000343366917 1030526315 /nfs/dbraw/zinc/52/63/15/1030526315.db2.gz PIGZPUAXPRNCCA-UHFFFAOYSA-N 1 2 340.814 3.849 20 0 EHADLO CCCn1ncnc1C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000447856369 1030548357 /nfs/dbraw/zinc/54/83/57/1030548357.db2.gz PXGFXOUUFINJNK-UHFFFAOYSA-N 1 2 326.488 3.841 20 0 EHADLO CCC[N@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccccc1 ZINC000060463700 1030559839 /nfs/dbraw/zinc/55/98/39/1030559839.db2.gz RSOSVZSOYYFICL-UHFFFAOYSA-N 1 2 335.455 3.691 20 0 EHADLO CCC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)Cc1ccccc1 ZINC000060463700 1030559848 /nfs/dbraw/zinc/55/98/48/1030559848.db2.gz RSOSVZSOYYFICL-UHFFFAOYSA-N 1 2 335.455 3.691 20 0 EHADLO CCC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC(F)(F)CC1 ZINC000668090980 1030584857 /nfs/dbraw/zinc/58/48/57/1030584857.db2.gz XLAYCTOAHVDNPS-CYBMUJFWSA-N 1 2 325.403 3.721 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccs1 ZINC000129907187 1030585898 /nfs/dbraw/zinc/58/58/98/1030585898.db2.gz VEUSSMFWLAACSV-KGLIPLIRSA-N 1 2 334.510 3.819 20 0 EHADLO C[N@H+](C/C=C/c1ccc(Cl)cc1)Cc1nc(-c2cccnc2)no1 ZINC000527048677 1030603425 /nfs/dbraw/zinc/60/34/25/1030603425.db2.gz SBXIJNWDLCRGFE-ONEGZZNKSA-N 1 2 340.814 3.930 20 0 EHADLO C[N@@H+](C/C=C/c1ccc(Cl)cc1)Cc1nc(-c2cccnc2)no1 ZINC000527048677 1030603434 /nfs/dbraw/zinc/60/34/34/1030603434.db2.gz SBXIJNWDLCRGFE-ONEGZZNKSA-N 1 2 340.814 3.930 20 0 EHADLO COC(=O)c1coc([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000278397502 1030606285 /nfs/dbraw/zinc/60/62/85/1030606285.db2.gz FFWLWGPIXLTCGX-ZDUSSCGKSA-N 1 2 329.400 3.625 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000093413693 1030609986 /nfs/dbraw/zinc/60/99/86/1030609986.db2.gz UVTRDNLMRSCICZ-HNNXBMFYSA-N 1 2 335.469 3.592 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000093413693 1030609993 /nfs/dbraw/zinc/60/99/93/1030609993.db2.gz UVTRDNLMRSCICZ-HNNXBMFYSA-N 1 2 335.469 3.592 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000093413400 1030610080 /nfs/dbraw/zinc/61/00/80/1030610080.db2.gz LTULBAABHVCGDN-BXWFABGCSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000093413400 1030610089 /nfs/dbraw/zinc/61/00/89/1030610089.db2.gz LTULBAABHVCGDN-BXWFABGCSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000482682033 1030646681 /nfs/dbraw/zinc/64/66/81/1030646681.db2.gz IYQUUVAXMXWRAS-GPMSIDNRSA-N 1 2 325.456 3.734 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1 ZINC000093768913 1030670531 /nfs/dbraw/zinc/67/05/31/1030670531.db2.gz AXVNTUOQDLQAKP-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1 ZINC000093768913 1030670541 /nfs/dbraw/zinc/67/05/41/1030670541.db2.gz AXVNTUOQDLQAKP-FZKQIMNGSA-N 1 2 333.453 3.727 20 0 EHADLO CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)n1cc[nH+]c1 ZINC000635201096 1030683728 /nfs/dbraw/zinc/68/37/28/1030683728.db2.gz LRFNLLBTABXSSD-VQTJNVASSA-N 1 2 348.450 3.771 20 0 EHADLO Cc1ccc(OCC[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000064555740 1030690846 /nfs/dbraw/zinc/69/08/46/1030690846.db2.gz YKKJCASRPDLNGF-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO Cc1ccc(OCC[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000064555740 1030690854 /nfs/dbraw/zinc/69/08/54/1030690854.db2.gz YKKJCASRPDLNGF-UHFFFAOYSA-N 1 2 339.414 3.831 20 0 EHADLO O=C(Nc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000170692382 1030698230 /nfs/dbraw/zinc/69/82/30/1030698230.db2.gz OYJYHBFPUMZRSE-RTBURBONSA-N 1 2 332.407 3.933 20 0 EHADLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C)cs1 ZINC000170888895 1030711282 /nfs/dbraw/zinc/71/12/82/1030711282.db2.gz HSQOOKITNIHPKD-HNNXBMFYSA-N 1 2 326.425 3.518 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C(C)(C)C)C(F)(F)F)C2 ZINC000527247613 1030736169 /nfs/dbraw/zinc/73/61/69/1030736169.db2.gz ILHHROHCQCVUQG-MEBBXXQBSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC2 ZINC000527247613 1030736187 /nfs/dbraw/zinc/73/61/87/1030736187.db2.gz ILHHROHCQCVUQG-MEBBXXQBSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C2 ZINC000527247612 1030737214 /nfs/dbraw/zinc/73/72/14/1030737214.db2.gz ILHHROHCQCVUQG-BONVTDFDSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC2 ZINC000527247612 1030737222 /nfs/dbraw/zinc/73/72/22/1030737222.db2.gz ILHHROHCQCVUQG-BONVTDFDSA-N 1 2 345.409 3.731 20 0 EHADLO Cc1ccccc1C1(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000550886688 1030763635 /nfs/dbraw/zinc/76/36/35/1030763635.db2.gz QORAMHBWIYIXRG-IBGZPJMESA-N 1 2 336.414 3.663 20 0 EHADLO Cc1c(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1N(C)C ZINC000343417280 1030783177 /nfs/dbraw/zinc/78/31/77/1030783177.db2.gz RWDGAFYKSKYMIU-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000343419009 1030802984 /nfs/dbraw/zinc/80/29/84/1030802984.db2.gz CZOWJDPOQBQFTR-AWEZNQCLSA-N 1 2 345.406 3.548 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000668156320 1030808425 /nfs/dbraw/zinc/80/84/25/1030808425.db2.gz MMJVWMMJDCCUDP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000668156320 1030808447 /nfs/dbraw/zinc/80/84/47/1030808447.db2.gz MMJVWMMJDCCUDP-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc2c(CC(=O)NCCCNc3cccc[nH+]3)coc2c1C ZINC000115162278 1030824334 /nfs/dbraw/zinc/82/43/34/1030824334.db2.gz CINBBWOEYSQOPL-UHFFFAOYSA-N 1 2 337.423 3.606 20 0 EHADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000115160733 1030825632 /nfs/dbraw/zinc/82/56/32/1030825632.db2.gz VOTKHYKRMGDHIZ-UHFFFAOYSA-N 1 2 347.846 3.511 20 0 EHADLO C[C@H](CNc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000527365741 1030863564 /nfs/dbraw/zinc/86/35/64/1030863564.db2.gz KYBFUEOBZWYWST-MRXNPFEDSA-N 1 2 328.431 3.874 20 0 EHADLO Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c2nnc[nH]2)cc1 ZINC000550999689 1030879436 /nfs/dbraw/zinc/87/94/36/1030879436.db2.gz TYEXTMZGVVGACF-SIUPPRGNSA-N 1 2 328.435 3.982 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)[nH+]1 ZINC000097040101 1030884470 /nfs/dbraw/zinc/88/44/70/1030884470.db2.gz OOXBPISJLXPFGN-GFCCVEGCSA-N 1 2 341.436 3.692 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123053448 1030902626 /nfs/dbraw/zinc/90/26/26/1030902626.db2.gz YRPFPGNSEAZGKV-QGZVFWFLSA-N 1 2 340.471 3.653 20 0 EHADLO C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1c(F)cccc1F ZINC000668195775 1030924548 /nfs/dbraw/zinc/92/45/48/1030924548.db2.gz VBECJQRZJALKHR-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1c(F)cccc1F ZINC000668195775 1030924557 /nfs/dbraw/zinc/92/45/57/1030924557.db2.gz VBECJQRZJALKHR-MRXNPFEDSA-N 1 2 333.378 3.765 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168150199 1030935105 /nfs/dbraw/zinc/93/51/05/1030935105.db2.gz SPUAMKILIWGUOI-KSSFIOAISA-N 1 2 331.843 3.645 20 0 EHADLO Cc1nnc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)s1 ZINC000568180037 1030951507 /nfs/dbraw/zinc/95/15/07/1030951507.db2.gz VIBIOWHVLBIDSA-NSHDSACASA-N 1 2 342.237 3.525 20 0 EHADLO Cc1ccccc1Cc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000551036364 1030960989 /nfs/dbraw/zinc/96/09/89/1030960989.db2.gz OSWWDDJQJWPPKM-UHFFFAOYSA-N 1 2 330.391 3.881 20 0 EHADLO O=C(NCC1=CCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666957905 1030972920 /nfs/dbraw/zinc/97/29/20/1030972920.db2.gz IYZMLXOHNDSBJF-RTBURBONSA-N 1 2 336.439 3.521 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000172733663 1030987130 /nfs/dbraw/zinc/98/71/30/1030987130.db2.gz MPYSRMJWTPNQID-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000172733663 1030987144 /nfs/dbraw/zinc/98/71/44/1030987144.db2.gz MPYSRMJWTPNQID-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO CCc1cccc2cc(C[NH2+][C@@H](c3nccn3C)C(C)(C)CO)oc21 ZINC000668210320 1030990109 /nfs/dbraw/zinc/99/01/09/1030990109.db2.gz ZQYXMCVKYNOHBO-SFHVURJKSA-N 1 2 341.455 3.578 20 0 EHADLO CCCc1ccc(C[NH2+]C2(c3nc(C4CC4)no3)CCOCC2)s1 ZINC000527538938 1030998003 /nfs/dbraw/zinc/99/80/03/1030998003.db2.gz QEZQFJFMTMVQPF-UHFFFAOYSA-N 1 2 347.484 3.757 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000483147256 1031002962 /nfs/dbraw/zinc/00/29/62/1031002962.db2.gz RWKUXSTUYGXVHD-DXCKQFNASA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000483147256 1031002980 /nfs/dbraw/zinc/00/29/80/1031002980.db2.gz RWKUXSTUYGXVHD-DXCKQFNASA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000483151489 1031003657 /nfs/dbraw/zinc/00/36/57/1031003657.db2.gz XLMKYXHZJSUWHB-OGHNNQOOSA-N 1 2 327.827 3.810 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000483151489 1031003674 /nfs/dbraw/zinc/00/36/74/1031003674.db2.gz XLMKYXHZJSUWHB-OGHNNQOOSA-N 1 2 327.827 3.810 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccccc2Cl)n1 ZINC000448375650 1031006372 /nfs/dbraw/zinc/00/63/72/1031006372.db2.gz UYMJALBVPLKSEU-QGZVFWFLSA-N 1 2 347.890 3.987 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccccc2Cl)n1 ZINC000448375650 1031006386 /nfs/dbraw/zinc/00/63/86/1031006386.db2.gz UYMJALBVPLKSEU-QGZVFWFLSA-N 1 2 347.890 3.987 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)NCCCNc1cccc[nH+]1 ZINC000152732766 1031009487 /nfs/dbraw/zinc/00/94/87/1031009487.db2.gz UUOFQQDDJLMLMH-UHFFFAOYSA-N 1 2 341.455 3.592 20 0 EHADLO CC[C@]1(C)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000343466850 1031011773 /nfs/dbraw/zinc/01/17/73/1031011773.db2.gz RLMYLBCPRGKBHT-QGZVFWFLSA-N 1 2 336.505 3.783 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483173768 1031012164 /nfs/dbraw/zinc/01/21/64/1031012164.db2.gz IAYBIDAAVICWFL-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483173768 1031012172 /nfs/dbraw/zinc/01/21/72/1031012172.db2.gz IAYBIDAAVICWFL-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO CCc1cccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000042625085 1031050416 /nfs/dbraw/zinc/05/04/16/1031050416.db2.gz MPDGPJBPMGHRLD-UHFFFAOYSA-N 1 2 340.496 3.731 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483363822 1031131079 /nfs/dbraw/zinc/13/10/79/1031131079.db2.gz AANRKWGDJRNUOH-IIYDPXPESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483363822 1031131084 /nfs/dbraw/zinc/13/10/84/1031131084.db2.gz AANRKWGDJRNUOH-IIYDPXPESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043446 1031158489 /nfs/dbraw/zinc/15/84/89/1031158489.db2.gz AMUANYMWCVCJGV-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000174043446 1031158500 /nfs/dbraw/zinc/15/85/00/1031158500.db2.gz AMUANYMWCVCJGV-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cc(OC)ccc3OC)CCO2)cc1 ZINC000483434973 1031170047 /nfs/dbraw/zinc/17/00/47/1031170047.db2.gz FKOHQKDILKUCNE-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cc(OC)ccc3OC)CCO2)cc1 ZINC000483434973 1031170056 /nfs/dbraw/zinc/17/00/56/1031170056.db2.gz FKOHQKDILKUCNE-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063107 1031230433 /nfs/dbraw/zinc/23/04/33/1031230433.db2.gz CXLJTILFZGNCLK-NEPJUHHUSA-N 1 2 349.397 3.590 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(CC(F)(F)F)no2)C1(C)C ZINC000477063107 1031230450 /nfs/dbraw/zinc/23/04/50/1031230450.db2.gz CXLJTILFZGNCLK-NEPJUHHUSA-N 1 2 349.397 3.590 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000428522810 1031246436 /nfs/dbraw/zinc/24/64/36/1031246436.db2.gz OFUVVHLNYLOYDM-IBGZPJMESA-N 1 2 346.434 3.808 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C)c2C1 ZINC000174709101 1031247849 /nfs/dbraw/zinc/24/78/49/1031247849.db2.gz LTPDCUSBTUIVMU-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C)c2C1 ZINC000174709101 1031247861 /nfs/dbraw/zinc/24/78/61/1031247861.db2.gz LTPDCUSBTUIVMU-UHFFFAOYSA-N 1 2 348.443 3.661 20 0 EHADLO Cc1c(F)cccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000175031197 1031268879 /nfs/dbraw/zinc/26/88/79/1031268879.db2.gz KIRYYTVIZUMFAK-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(COCC(F)(F)F)cc1 ZINC000527839479 1031311053 /nfs/dbraw/zinc/31/10/53/1031311053.db2.gz YKYCVWWJSDWZSR-UHFFFAOYSA-N 1 2 326.318 3.781 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2ncc(Br)cn2)c(C)s1 ZINC000903319405 1031330787 /nfs/dbraw/zinc/33/07/87/1031330787.db2.gz QWDILWHUYJWJEL-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000343549493 1031341619 /nfs/dbraw/zinc/34/16/19/1031341619.db2.gz FVQBKJSNXWMYRO-LSDHHAIUSA-N 1 2 332.473 3.781 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175757659 1031375105 /nfs/dbraw/zinc/37/51/05/1031375105.db2.gz XKAXETHQZOIWOZ-JXFKEZNVSA-N 1 2 331.419 3.891 20 0 EHADLO CCC[C@H]1CCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448681571 1031416442 /nfs/dbraw/zinc/41/64/42/1031416442.db2.gz QIAKBJJBUCEVGO-RBUKOAKNSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000483999544 1031418266 /nfs/dbraw/zinc/41/82/66/1031418266.db2.gz BCSHCORSKYCFKW-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000483999544 1031418276 /nfs/dbraw/zinc/41/82/76/1031418276.db2.gz BCSHCORSKYCFKW-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCCNc2cccc[nH+]2)cc1C ZINC000668298312 1031424224 /nfs/dbraw/zinc/42/42/24/1031424224.db2.gz UMOVUIXJEKUUMZ-RBUKOAKNSA-N 1 2 337.467 3.810 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)C2 ZINC000483992030 1031424600 /nfs/dbraw/zinc/42/46/00/1031424600.db2.gz CXANYUFJHBRLLD-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](Cc1nc(-c3ccc(F)c(F)c3)no1)C2 ZINC000483992030 1031424612 /nfs/dbraw/zinc/42/46/12/1031424612.db2.gz CXANYUFJHBRLLD-UHFFFAOYSA-N 1 2 341.361 3.882 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cc2ccccc2o1 ZINC000278571874 1031442765 /nfs/dbraw/zinc/44/27/65/1031442765.db2.gz JJBNNEXOJWJSAL-NSHDSACASA-N 1 2 330.819 3.793 20 0 EHADLO COc1ccc(Cl)c(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000484080564 1031443032 /nfs/dbraw/zinc/44/30/32/1031443032.db2.gz HDYMYTWMZOAWMA-QGZVFWFLSA-N 1 2 344.846 3.878 20 0 EHADLO C[C@@H](CCC1CCCCC1)[NH2+]C(c1nccn1C)c1nccn1C ZINC000527943503 1031469910 /nfs/dbraw/zinc/46/99/10/1031469910.db2.gz FUQAOSAXTPNFQB-HNNXBMFYSA-N 1 2 329.492 3.582 20 0 EHADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000083197581 1031479592 /nfs/dbraw/zinc/47/95/92/1031479592.db2.gz UYTGFXNXTUYHGE-IAGOWNOFSA-N 1 2 348.450 3.864 20 0 EHADLO CC(C)CC(CC(C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448703747 1031484155 /nfs/dbraw/zinc/48/41/55/1031484155.db2.gz DODVLCRERWUWGZ-UHFFFAOYSA-N 1 2 331.504 3.875 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000151501364 1031500256 /nfs/dbraw/zinc/50/02/56/1031500256.db2.gz LEWAKRKCYXIGOM-YJBOKZPZSA-N 1 2 343.446 3.878 20 0 EHADLO CCN(CC(F)(F)F)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000343587139 1031502717 /nfs/dbraw/zinc/50/27/17/1031502717.db2.gz GUZOSAWBGWRLSX-OAHLLOKOSA-N 1 2 346.368 3.591 20 0 EHADLO CCN(CC(F)(F)F)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000343587139 1031502725 /nfs/dbraw/zinc/50/27/25/1031502725.db2.gz GUZOSAWBGWRLSX-OAHLLOKOSA-N 1 2 346.368 3.591 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC=CC[C@H]3C)CC2)c1 ZINC000551636477 1031518562 /nfs/dbraw/zinc/51/85/62/1031518562.db2.gz NFEKAZNZWAFNMK-FUHIMQAGSA-N 1 2 342.483 3.503 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3ccc(F)cc3Cl)[nH+]c12 ZINC000083944053 1031537598 /nfs/dbraw/zinc/53/75/98/1031537598.db2.gz QZUFXXWAQVNDLO-QFIPXVFZSA-N 1 2 336.819 3.884 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)CCc3ccccc3Cl)[nH+]c12 ZINC000083953600 1031539002 /nfs/dbraw/zinc/53/90/02/1031539002.db2.gz CVIWPBDUKLENGS-JOCHJYFZSA-N 1 2 332.856 3.788 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000083953235 1031539326 /nfs/dbraw/zinc/53/93/26/1031539326.db2.gz MDAPFLMDGWFBLH-MYODQAERSA-N 1 2 334.391 3.931 20 0 EHADLO Cc1cccn2cc(C[S@](=O)CCc3ccccc3Cl)[nH+]c12 ZINC000083953601 1031539786 /nfs/dbraw/zinc/53/97/86/1031539786.db2.gz CVIWPBDUKLENGS-QFIPXVFZSA-N 1 2 332.856 3.788 20 0 EHADLO Cc1cccc([C@H]2CCCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000080630172 1031597241 /nfs/dbraw/zinc/59/72/41/1031597241.db2.gz GLGKHRPHHNDPFB-QFBILLFUSA-N 1 2 340.471 3.825 20 0 EHADLO CC(C)n1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000080636095 1031605573 /nfs/dbraw/zinc/60/55/73/1031605573.db2.gz OUJLSRBQLTUSEI-SFHVURJKSA-N 1 2 344.434 3.596 20 0 EHADLO CC(C)n1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000080636095 1031605580 /nfs/dbraw/zinc/60/55/80/1031605580.db2.gz OUJLSRBQLTUSEI-SFHVURJKSA-N 1 2 344.434 3.596 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000178080738 1031620880 /nfs/dbraw/zinc/62/08/80/1031620880.db2.gz SZHULNCMPDCOIC-UHFFFAOYSA-N 1 2 346.862 3.695 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178362621 1031686923 /nfs/dbraw/zinc/68/69/23/1031686923.db2.gz WIPKZDNRZAUTAK-GFCCVEGCSA-N 1 2 345.855 3.785 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Cl)sc1Cl ZINC000178391460 1031691609 /nfs/dbraw/zinc/69/16/09/1031691609.db2.gz KOBQMZVHDOGLOQ-UHFFFAOYSA-N 1 2 326.208 3.633 20 0 EHADLO CC[NH2+]Cc1noc(CCc2cccc(OCc3ccccc3)c2)n1 ZINC000904076276 1031705501 /nfs/dbraw/zinc/70/55/01/1031705501.db2.gz ZTCUTKRCAYKAQG-UHFFFAOYSA-N 1 2 337.423 3.543 20 0 EHADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000528101441 1031723962 /nfs/dbraw/zinc/72/39/62/1031723962.db2.gz RZMQEDSVKBSYGW-ZJOBFFGXSA-N 1 2 338.411 3.508 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2s1 ZINC000178815549 1031732678 /nfs/dbraw/zinc/73/26/78/1031732678.db2.gz ICJVYSWWMFHWEC-TZMCWYRMSA-N 1 2 325.437 3.538 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000448832483 1031740468 /nfs/dbraw/zinc/74/04/68/1031740468.db2.gz CZODIOQHOGCBFZ-NXEZZACHSA-N 1 2 329.709 3.663 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccccc1F)C1CC1 ZINC000117581851 1031756838 /nfs/dbraw/zinc/75/68/38/1031756838.db2.gz MAKSSCVXJVHIOC-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000117585108 1031758508 /nfs/dbraw/zinc/75/85/08/1031758508.db2.gz DKKQGGTWOHHPLM-UHFFFAOYSA-N 1 2 347.393 3.941 20 0 EHADLO Cc1cccc(F)c1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000133991190 1031770450 /nfs/dbraw/zinc/77/04/50/1031770450.db2.gz PQFIUFGBBRYXIF-UHFFFAOYSA-N 1 2 342.418 3.841 20 0 EHADLO CCC[C@@H]([NH2+]Cc1ccn(-c2ccc(OC)cc2)n1)c1ccccn1 ZINC000179470351 1031777123 /nfs/dbraw/zinc/77/71/23/1031777123.db2.gz YXHPTGBSZSOMGV-LJQANCHMSA-N 1 2 336.439 3.907 20 0 EHADLO Cc1ccccc1-n1nccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117670591 1031791271 /nfs/dbraw/zinc/79/12/71/1031791271.db2.gz XMZINOBFKNTBRJ-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000904257978 1031905851 /nfs/dbraw/zinc/90/58/51/1031905851.db2.gz HKEWICIBWOYXHF-VHSXEESVSA-N 1 2 326.322 3.858 20 0 EHADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)NCCCC1CCCCC1 ZINC000180746560 1031906105 /nfs/dbraw/zinc/90/61/05/1031906105.db2.gz NNNKWTVKVVFSGR-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)NCCCC1CCCCC1 ZINC000180746560 1031906124 /nfs/dbraw/zinc/90/61/24/1031906124.db2.gz NNNKWTVKVVFSGR-UHFFFAOYSA-N 1 2 329.488 3.523 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000117875732 1031915078 /nfs/dbraw/zinc/91/50/78/1031915078.db2.gz MWRVMCXTZAQCAR-LJQANCHMSA-N 1 2 331.456 3.714 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000180942987 1031927538 /nfs/dbraw/zinc/92/75/38/1031927538.db2.gz PPOJLGAFFVTMBE-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000180942987 1031927549 /nfs/dbraw/zinc/92/75/49/1031927549.db2.gz PPOJLGAFFVTMBE-ZDUSSCGKSA-N 1 2 338.407 3.964 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507604 1031999528 /nfs/dbraw/zinc/99/95/28/1031999528.db2.gz FGHBLRBSANANPA-JKSUJKDBSA-N 1 2 332.492 3.516 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507604 1031999539 /nfs/dbraw/zinc/99/95/39/1031999539.db2.gz FGHBLRBSANANPA-JKSUJKDBSA-N 1 2 332.492 3.516 20 0 EHADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000455810062 1032014633 /nfs/dbraw/zinc/01/46/33/1032014633.db2.gz CEYDFMPFFWXMOI-OAHLLOKOSA-N 1 2 340.427 3.660 20 0 EHADLO COc1nccnc1C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000449016386 1032028556 /nfs/dbraw/zinc/02/85/56/1032028556.db2.gz VYCYNPGLIYBONP-SNVBAGLBSA-N 1 2 326.227 3.985 20 0 EHADLO COc1nccnc1C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000449016386 1032028569 /nfs/dbraw/zinc/02/85/69/1032028569.db2.gz VYCYNPGLIYBONP-SNVBAGLBSA-N 1 2 326.227 3.985 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000533892631 1032034536 /nfs/dbraw/zinc/03/45/36/1032034536.db2.gz UQKPSKRVWLSLFI-QFBILLFUSA-N 1 2 340.471 3.942 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)c1 ZINC000060960392 1033319880 /nfs/dbraw/zinc/31/98/80/1033319880.db2.gz USCHNTQLLPAXCD-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)c1 ZINC000060960392 1033319891 /nfs/dbraw/zinc/31/98/91/1033319891.db2.gz USCHNTQLLPAXCD-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO CCc1ncc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)cn1 ZINC000898130996 1033343443 /nfs/dbraw/zinc/34/34/43/1033343443.db2.gz VNYLAEUWPZEBFI-UHFFFAOYSA-N 1 2 343.858 3.787 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486984 1033369751 /nfs/dbraw/zinc/36/97/51/1033369751.db2.gz YFKJIZVRIMOLGV-STQMWFEESA-N 1 2 328.551 3.733 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000173486984 1033369762 /nfs/dbraw/zinc/36/97/62/1033369762.db2.gz YFKJIZVRIMOLGV-STQMWFEESA-N 1 2 328.551 3.733 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120114917 1033374014 /nfs/dbraw/zinc/37/40/14/1033374014.db2.gz RGHLHSGPCCCZRB-LSDHHAIUSA-N 1 2 347.890 3.685 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120114917 1033374030 /nfs/dbraw/zinc/37/40/30/1033374030.db2.gz RGHLHSGPCCCZRB-LSDHHAIUSA-N 1 2 347.890 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000173529390 1033399977 /nfs/dbraw/zinc/39/99/77/1033399977.db2.gz QMQHKSCERIGIIX-CQSZACIVSA-N 1 2 328.485 3.782 20 0 EHADLO C[C@@H]1CCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000173529390 1033399989 /nfs/dbraw/zinc/39/99/89/1033399989.db2.gz QMQHKSCERIGIIX-CQSZACIVSA-N 1 2 328.485 3.782 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000057441576 1033403976 /nfs/dbraw/zinc/40/39/76/1033403976.db2.gz SDAGQFPWUGAUCL-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000594543101 1033441781 /nfs/dbraw/zinc/44/17/81/1033441781.db2.gz NNNSHYICLQPYDI-QFIPXVFZSA-N 1 2 345.446 3.838 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCc3cc(F)ccc3[C@@H]2C)c[nH+]1 ZINC000653271442 1033479098 /nfs/dbraw/zinc/47/90/98/1033479098.db2.gz ZDRVCVMMLADPHX-AWEZNQCLSA-N 1 2 327.403 3.666 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438957 1033494854 /nfs/dbraw/zinc/49/48/54/1033494854.db2.gz TYVWTIVEKPXEDD-CYBMUJFWSA-N 1 2 332.394 3.986 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438957 1033494862 /nfs/dbraw/zinc/49/48/62/1033494862.db2.gz TYVWTIVEKPXEDD-CYBMUJFWSA-N 1 2 332.394 3.986 20 0 EHADLO CCCCCC[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000173766679 1033507493 /nfs/dbraw/zinc/50/74/93/1033507493.db2.gz QVSOQRWFLGUWSM-QZTJIDSGSA-N 1 2 331.504 3.893 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2F)ccc1SC ZINC000120211226 1033522506 /nfs/dbraw/zinc/52/25/06/1033522506.db2.gz NVVVULBYXAMYOW-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2F)ccc1SC ZINC000120211226 1033522516 /nfs/dbraw/zinc/52/25/16/1033522516.db2.gz NVVVULBYXAMYOW-UHFFFAOYSA-N 1 2 348.443 3.627 20 0 EHADLO Cc1cc(NC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)cc[nH+]1 ZINC000120214419 1033523192 /nfs/dbraw/zinc/52/31/92/1033523192.db2.gz KRFFQUYFDVZNJG-UHFFFAOYSA-N 1 2 339.439 3.946 20 0 EHADLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000537514405 1033527055 /nfs/dbraw/zinc/52/70/55/1033527055.db2.gz SJRONIMHGDNXBN-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000537514405 1033527064 /nfs/dbraw/zinc/52/70/64/1033527064.db2.gz SJRONIMHGDNXBN-LBPRGKRZSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1)c1cc2ccccc2o1 ZINC000174063740 1033532623 /nfs/dbraw/zinc/53/26/23/1033532623.db2.gz MSSPKYSDSJQKJW-AGIUHOORSA-N 1 2 343.452 3.806 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529165555 1033533138 /nfs/dbraw/zinc/53/31/38/1033533138.db2.gz GHMSSKFXSOXWRD-MRXNPFEDSA-N 1 2 345.874 3.677 20 0 EHADLO CC[N@H+](CC(=O)c1cc(C)n([C@@H](C)COC)c1C)Cc1ccoc1 ZINC000131336196 1033558081 /nfs/dbraw/zinc/55/80/81/1033558081.db2.gz JLWLOQKXZWOXLU-HNNXBMFYSA-N 1 2 332.444 3.610 20 0 EHADLO CC[N@@H+](CC(=O)c1cc(C)n([C@@H](C)COC)c1C)Cc1ccoc1 ZINC000131336196 1033558094 /nfs/dbraw/zinc/55/80/94/1033558094.db2.gz JLWLOQKXZWOXLU-HNNXBMFYSA-N 1 2 332.444 3.610 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)[nH]c1C ZINC000594947418 1033592082 /nfs/dbraw/zinc/59/20/82/1033592082.db2.gz DCAVKZWHAVDUOU-IAGOWNOFSA-N 1 2 341.455 3.686 20 0 EHADLO Cc1[nH]c(CN[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000594947418 1033592086 /nfs/dbraw/zinc/59/20/86/1033592086.db2.gz DCAVKZWHAVDUOU-IAGOWNOFSA-N 1 2 341.455 3.686 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000529240453 1033638257 /nfs/dbraw/zinc/63/82/57/1033638257.db2.gz DDHNQZJFDPVLPX-UHFFFAOYSA-N 1 2 348.834 3.723 20 0 EHADLO COc1ccccc1Nc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001168300945 1033651201 /nfs/dbraw/zinc/65/12/01/1033651201.db2.gz PSRFNIOPNIHEFT-MRXNPFEDSA-N 1 2 348.406 3.510 20 0 EHADLO O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccn2cc[nH+]c2c1 ZINC000685651356 1033681708 /nfs/dbraw/zinc/68/17/08/1033681708.db2.gz SUHCGPSHYKRTIV-YPMHNXCESA-N 1 2 340.349 3.825 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCCCC(C)(C)C)c1ccccc1 ZINC000608440190 1033690418 /nfs/dbraw/zinc/69/04/18/1033690418.db2.gz KZJXNGXUIHAPNU-KRWDZBQOSA-N 1 2 342.487 3.829 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410664 1033697753 /nfs/dbraw/zinc/69/77/53/1033697753.db2.gz MFJUHDQRTNWENX-QAPCUYQASA-N 1 2 344.434 3.595 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329843 1033730022 /nfs/dbraw/zinc/73/00/22/1033730022.db2.gz CSHZSYQFVVHTMA-RKDXNWHRSA-N 1 2 325.425 3.663 20 0 EHADLO COc1ccc2nc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000046118614 1033729053 /nfs/dbraw/zinc/72/90/53/1033729053.db2.gz DGJJBHKYZUWJEC-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(C(F)(F)F)s2)C1 ZINC000595329843 1033730007 /nfs/dbraw/zinc/73/00/07/1033730007.db2.gz CSHZSYQFVVHTMA-RKDXNWHRSA-N 1 2 325.425 3.663 20 0 EHADLO CC[C@H](CC(F)F)C[N@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000595312547 1033738547 /nfs/dbraw/zinc/73/85/47/1033738547.db2.gz NFHHEVSYPQBHOP-LLVKDONJSA-N 1 2 335.341 3.621 20 0 EHADLO CC[C@H](CC(F)F)C[N@@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000595312547 1033738559 /nfs/dbraw/zinc/73/85/59/1033738559.db2.gz NFHHEVSYPQBHOP-LLVKDONJSA-N 1 2 335.341 3.621 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nc2ccccc2s1 ZINC000472350464 1033768158 /nfs/dbraw/zinc/76/81/58/1033768158.db2.gz NNHABQXRLVGPSE-CABCVRRESA-N 1 2 331.485 3.518 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nc2ccccc2s1 ZINC000472350464 1033768173 /nfs/dbraw/zinc/76/81/73/1033768173.db2.gz NNHABQXRLVGPSE-CABCVRRESA-N 1 2 331.485 3.518 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061864909 1033772892 /nfs/dbraw/zinc/77/28/92/1033772892.db2.gz HBEWAUIOWWMUPL-QGZVFWFLSA-N 1 2 344.503 3.661 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC000450121316 1033777477 /nfs/dbraw/zinc/77/74/77/1033777477.db2.gz IWJCHOIUKNMPGT-UHFFFAOYSA-N 1 2 343.858 3.792 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC000450121316 1033777492 /nfs/dbraw/zinc/77/74/92/1033777492.db2.gz IWJCHOIUKNMPGT-UHFFFAOYSA-N 1 2 343.858 3.792 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]([C@H](C)c3ccco3)C3CC3)nc2c1 ZINC000595381609 1033784859 /nfs/dbraw/zinc/78/48/59/1033784859.db2.gz WZDPTJMABCNJMC-GFCCVEGCSA-N 1 2 339.395 3.668 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]([C@H](C)c3ccco3)C3CC3)nc2c1 ZINC000595381609 1033784876 /nfs/dbraw/zinc/78/48/76/1033784876.db2.gz WZDPTJMABCNJMC-GFCCVEGCSA-N 1 2 339.395 3.668 20 0 EHADLO C[C@](CO)([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000599170851 1033785063 /nfs/dbraw/zinc/78/50/63/1033785063.db2.gz RSMVWWSGTCRPDL-LJQANCHMSA-N 1 2 344.361 3.617 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)ccc1-c1ccoc1 ZINC000472352037 1033786009 /nfs/dbraw/zinc/78/60/09/1033786009.db2.gz VMQWKJJTLYSHMW-UHFFFAOYSA-N 1 2 335.338 3.663 20 0 EHADLO CC1=C(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC(C)(C)C1 ZINC000450142710 1033807606 /nfs/dbraw/zinc/80/76/06/1033807606.db2.gz LXONDCBHBHNKBH-INIZCTEOSA-N 1 2 329.488 3.728 20 0 EHADLO CC1=C(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC(C)(C)C1 ZINC000450142713 1033809076 /nfs/dbraw/zinc/80/90/76/1033809076.db2.gz LXONDCBHBHNKBH-MRXNPFEDSA-N 1 2 329.488 3.728 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C\c2ccccc2)[nH+]1 ZINC000255632165 1033847235 /nfs/dbraw/zinc/84/72/35/1033847235.db2.gz ZEDCYEFOYVMEKS-SEYXRHQNSA-N 1 2 325.408 3.596 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608716287 1033851215 /nfs/dbraw/zinc/85/12/15/1033851215.db2.gz SKDZVIOPIOBHKD-RBUKOAKNSA-N 1 2 338.455 3.771 20 0 EHADLO c1ccc(COC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450212038 1033904197 /nfs/dbraw/zinc/90/41/97/1033904197.db2.gz BJTFNNIRXBJJOD-UHFFFAOYSA-N 1 2 329.469 3.597 20 0 EHADLO CCSCc1cc[nH+]c(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000761344697 1033940254 /nfs/dbraw/zinc/94/02/54/1033940254.db2.gz YHOPCPKNKFUYNO-CQSZACIVSA-N 1 2 337.489 3.756 20 0 EHADLO Cc1cc(NC(=O)c2c(F)cc(Br)cc2F)cc[nH+]1 ZINC000085220179 1033948220 /nfs/dbraw/zinc/94/82/20/1033948220.db2.gz LQLYJNYMICCYPW-UHFFFAOYSA-N 1 2 327.128 3.683 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCc2cscn2)CC1 ZINC000450237801 1033959693 /nfs/dbraw/zinc/95/96/93/1033959693.db2.gz QFYLSYUMQGSAHF-AWEZNQCLSA-N 1 2 335.904 3.718 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000171024395 1033967501 /nfs/dbraw/zinc/96/75/01/1033967501.db2.gz SGWLKSYOSMJPLJ-MRXNPFEDSA-N 1 2 334.464 3.546 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000171024395 1033967516 /nfs/dbraw/zinc/96/75/16/1033967516.db2.gz SGWLKSYOSMJPLJ-MRXNPFEDSA-N 1 2 334.464 3.546 20 0 EHADLO CC[N@H+](Cn1nc(N(C(C)=O)C2CC2)sc1=S)[C@H](C)C(C)C ZINC000064111876 1033998744 /nfs/dbraw/zinc/99/87/44/1033998744.db2.gz PCPFXIJWIGVEFS-LLVKDONJSA-N 1 2 342.534 3.513 20 0 EHADLO CC[N@@H+](Cn1nc(N(C(C)=O)C2CC2)sc1=S)[C@H](C)C(C)C ZINC000064111876 1033998756 /nfs/dbraw/zinc/99/87/56/1033998756.db2.gz PCPFXIJWIGVEFS-LLVKDONJSA-N 1 2 342.534 3.513 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000603883685 1034007097 /nfs/dbraw/zinc/00/70/97/1034007097.db2.gz BDMDCWZRQLZCMF-UHFFFAOYSA-N 1 2 330.391 3.947 20 0 EHADLO CC1(C)CCC(C)(C)c2cc(C(=O)N3CC(n4cc[nH+]c4)C3)ccc21 ZINC000603916694 1034043690 /nfs/dbraw/zinc/04/36/90/1034043690.db2.gz UMHQXYLWQAXLOE-UHFFFAOYSA-N 1 2 337.467 3.929 20 0 EHADLO Cc1nn(C)c(C)c1CNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450299410 1034051986 /nfs/dbraw/zinc/05/19/86/1034051986.db2.gz PSYRDLSUAVQAJB-UHFFFAOYSA-N 1 2 334.345 3.638 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000596151510 1034092307 /nfs/dbraw/zinc/09/23/07/1034092307.db2.gz QNNJZPDSVXFPOW-QWHCGFSZSA-N 1 2 330.350 3.578 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(=Cc3ccccc3F)CC2)c1 ZINC000596155625 1034094212 /nfs/dbraw/zinc/09/42/12/1034094212.db2.gz CUZXFGCLNFVAHX-UHFFFAOYSA-N 1 2 340.398 3.620 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000658212264 1034094660 /nfs/dbraw/zinc/09/46/60/1034094660.db2.gz JYRFVEJTOLWVTN-FQEVSTJZSA-N 1 2 336.414 3.711 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCCC(C)(C)C ZINC000119198702 1034095075 /nfs/dbraw/zinc/09/50/75/1034095075.db2.gz RBQXPLXRFGOANG-UHFFFAOYSA-N 1 2 348.491 3.565 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2nc3ccccc3s2)Cc2ccccc21 ZINC000599680433 1034110389 /nfs/dbraw/zinc/11/03/89/1034110389.db2.gz LZWJRTLNOOLZTI-OAHLLOKOSA-N 1 2 338.432 3.569 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)Cc2ccccc21 ZINC000599680433 1034110394 /nfs/dbraw/zinc/11/03/94/1034110394.db2.gz LZWJRTLNOOLZTI-OAHLLOKOSA-N 1 2 338.432 3.569 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C12CCC2 ZINC000658252262 1034134390 /nfs/dbraw/zinc/13/43/90/1034134390.db2.gz IMHALSULWFRHHB-BBWFWOEESA-N 1 2 340.471 3.610 20 0 EHADLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596278264 1034140447 /nfs/dbraw/zinc/14/04/47/1034140447.db2.gz NZRRUUHVAPSZPR-KGLIPLIRSA-N 1 2 341.455 3.621 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000101731300 1034145495 /nfs/dbraw/zinc/14/54/95/1034145495.db2.gz IWOPFEMMRAUTOK-CQSZACIVSA-N 1 2 342.405 3.698 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000101731300 1034145507 /nfs/dbraw/zinc/14/55/07/1034145507.db2.gz IWOPFEMMRAUTOK-CQSZACIVSA-N 1 2 342.405 3.698 20 0 EHADLO C[S@](=O)[C@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000596376884 1034212094 /nfs/dbraw/zinc/21/20/94/1034212094.db2.gz VCVULEAYNVDYPB-KCYKTTMJSA-N 1 2 344.480 3.762 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000119727133 1034211874 /nfs/dbraw/zinc/21/18/74/1034211874.db2.gz RMMCHDGUOYQGNG-AWEZNQCLSA-N 1 2 327.255 3.580 20 0 EHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000119727133 1034211884 /nfs/dbraw/zinc/21/18/84/1034211884.db2.gz RMMCHDGUOYQGNG-AWEZNQCLSA-N 1 2 327.255 3.580 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC000450367725 1034218151 /nfs/dbraw/zinc/21/81/51/1034218151.db2.gz CYCMKKZOLAACAY-KRWDZBQOSA-N 1 2 335.451 3.764 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2ccccc2)s1 ZINC000529594798 1034237034 /nfs/dbraw/zinc/23/70/34/1034237034.db2.gz AJBIEFOOEWMTKG-HZPDHXFCSA-N 1 2 337.448 3.569 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332372 1034250968 /nfs/dbraw/zinc/25/09/68/1034250968.db2.gz XLIRXFNKPMVKCE-IOASZLSFSA-N 1 2 341.904 3.927 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001168332372 1034250980 /nfs/dbraw/zinc/25/09/80/1034250980.db2.gz XLIRXFNKPMVKCE-IOASZLSFSA-N 1 2 341.904 3.927 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101865291 1034287442 /nfs/dbraw/zinc/28/74/42/1034287442.db2.gz KYORABXQCSWECI-UHFFFAOYSA-N 1 2 325.456 3.723 20 0 EHADLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)oc2c1c(C)ccc2C ZINC000604267740 1034309913 /nfs/dbraw/zinc/30/99/13/1034309913.db2.gz DMFWCJNSCJWZJI-UHFFFAOYSA-N 1 2 337.423 3.985 20 0 EHADLO O=C(CCC1CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604312860 1034323117 /nfs/dbraw/zinc/32/31/17/1034323117.db2.gz GGYYHSLVSWFRHL-MRXNPFEDSA-N 1 2 338.854 3.922 20 0 EHADLO Cn1ccnc1C([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)c1nccn1C ZINC000529639903 1034331230 /nfs/dbraw/zinc/33/12/30/1034331230.db2.gz AAHULWATWRYCEI-HZPDHXFCSA-N 1 2 343.519 3.828 20 0 EHADLO Cn1ccnc1C([NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)c1nccn1C ZINC000529639901 1034332107 /nfs/dbraw/zinc/33/21/07/1034332107.db2.gz AAHULWATWRYCEI-CVEARBPZSA-N 1 2 343.519 3.828 20 0 EHADLO O=C(c1c(Cl)cccc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121040014 1034359014 /nfs/dbraw/zinc/35/90/14/1034359014.db2.gz BLMJIUWAUUOEKX-LBPRGKRZSA-N 1 2 337.206 3.682 20 0 EHADLO Cc1cc(NC(=O)CSc2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000534300392 1034359950 /nfs/dbraw/zinc/35/99/50/1034359950.db2.gz ZLYJDFSGYNJVMJ-UHFFFAOYSA-N 1 2 340.370 3.870 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cc2s1 ZINC000529665850 1034392110 /nfs/dbraw/zinc/39/21/10/1034392110.db2.gz OOPMFJUIZKTMRY-UHFFFAOYSA-N 1 2 336.464 3.830 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)cc2s1 ZINC000529665850 1034392125 /nfs/dbraw/zinc/39/21/25/1034392125.db2.gz OOPMFJUIZKTMRY-UHFFFAOYSA-N 1 2 336.464 3.830 20 0 EHADLO Cc1cccc2[nH]cc(CC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000171462664 1034395079 /nfs/dbraw/zinc/39/50/79/1034395079.db2.gz RWVYCCHZPQQKNN-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c(C)c[nH+]1 ZINC000534324778 1034398821 /nfs/dbraw/zinc/39/88/21/1034398821.db2.gz DUWMIACXSGAVKP-OAQYLSRUSA-N 1 2 337.467 3.997 20 0 EHADLO C[C@@H]1COCC[C@@H]1Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450491345 1034423756 /nfs/dbraw/zinc/42/37/56/1034423756.db2.gz WSAZSTYPOHPBAT-RNCFNFMXSA-N 1 2 339.208 3.973 20 0 EHADLO CC(C)[C@H]1CCC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604651960 1034444247 /nfs/dbraw/zinc/44/42/47/1034444247.db2.gz ZABVANLHYMOSOX-ROUUACIJSA-N 1 2 340.471 3.886 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2c(c1)CCC1(CCC1)O2 ZINC000529705312 1034456646 /nfs/dbraw/zinc/45/66/46/1034456646.db2.gz HWWXGTSLIIDONR-UHFFFAOYSA-N 1 2 325.412 3.550 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000604847628 1034523710 /nfs/dbraw/zinc/52/37/10/1034523710.db2.gz XPVAGCFCWWAZRO-WMZOPIPTSA-N 1 2 330.472 3.674 20 0 EHADLO CCC(=O)CCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000450585213 1034546802 /nfs/dbraw/zinc/54/68/02/1034546802.db2.gz VPNNWZJUMXKKLD-UHFFFAOYSA-N 1 2 325.456 3.855 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)c1 ZINC000450623721 1034575315 /nfs/dbraw/zinc/57/53/15/1034575315.db2.gz NHEBDTNUWNBDFS-AWEZNQCLSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1cccc(O[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)c1 ZINC000450623721 1034575328 /nfs/dbraw/zinc/57/53/28/1034575328.db2.gz NHEBDTNUWNBDFS-AWEZNQCLSA-N 1 2 335.860 3.722 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCC3Cc4ccccc4C3)c12 ZINC000604995523 1034579263 /nfs/dbraw/zinc/57/92/63/1034579263.db2.gz IVNKUWFVRZIOGP-UHFFFAOYSA-N 1 2 341.418 3.642 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)no1 ZINC000605000309 1034585105 /nfs/dbraw/zinc/58/51/05/1034585105.db2.gz GHMHYGNXPFZWIF-INIZCTEOSA-N 1 2 347.846 3.614 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)no1 ZINC000605000309 1034585114 /nfs/dbraw/zinc/58/51/14/1034585114.db2.gz GHMHYGNXPFZWIF-INIZCTEOSA-N 1 2 347.846 3.614 20 0 EHADLO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCC(F)(F)F ZINC000605000449 1034585366 /nfs/dbraw/zinc/58/53/66/1034585366.db2.gz RTCXHLIHANZDJC-CQSZACIVSA-N 1 2 348.796 3.936 20 0 EHADLO O=C(C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCC(F)(F)F ZINC000605000449 1034585375 /nfs/dbraw/zinc/58/53/75/1034585375.db2.gz RTCXHLIHANZDJC-CQSZACIVSA-N 1 2 348.796 3.936 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000450666217 1034665533 /nfs/dbraw/zinc/66/55/33/1034665533.db2.gz HXVGZTTTWBEZMO-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccccc1 ZINC000450666784 1034665953 /nfs/dbraw/zinc/66/59/53/1034665953.db2.gz IQLPRSDSWZGZIB-OAQYLSRUSA-N 1 2 335.451 3.603 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+]Cc2nc(C(=O)OC)cs2)cc1 ZINC000450667160 1034668446 /nfs/dbraw/zinc/66/84/46/1034668446.db2.gz JSNNTZSCWAJXCR-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nccc(OC)n2)cc1OC ZINC000450678460 1034675529 /nfs/dbraw/zinc/67/55/29/1034675529.db2.gz TYFFTKGPJPYSTR-AWEZNQCLSA-N 1 2 345.443 3.524 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cccc(Nc2ccccc2)c1 ZINC000605306702 1034682948 /nfs/dbraw/zinc/68/29/48/1034682948.db2.gz VGQWLIIPURATDN-UHFFFAOYSA-N 1 2 334.423 3.837 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(F)cc1F ZINC000450675892 1034702478 /nfs/dbraw/zinc/70/24/78/1034702478.db2.gz DSXBDIJDWPSZCY-QGZVFWFLSA-N 1 2 334.414 3.843 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cn(CC4CC4)nn3)oc21 ZINC000450727639 1034732388 /nfs/dbraw/zinc/73/23/88/1034732388.db2.gz ZDKFNIAYWQIGOB-ZDUSSCGKSA-N 1 2 340.427 3.684 20 0 EHADLO O=C(COc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)cc1Cl ZINC000605434110 1034733164 /nfs/dbraw/zinc/73/31/64/1034733164.db2.gz BGUXUUVKJQMVEN-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO CC(C)N(C(=O)COc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000605434272 1034733974 /nfs/dbraw/zinc/73/39/74/1034733974.db2.gz VXHMEHRZTZFFDG-UHFFFAOYSA-N 1 2 335.407 3.693 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccn(C)c2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000612345497 1034810813 /nfs/dbraw/zinc/81/08/13/1034810813.db2.gz GHISPMHNGPKLDZ-QFBILLFUSA-N 1 2 348.450 3.612 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)c[nH+]1 ZINC000456857888 1034815801 /nfs/dbraw/zinc/81/58/01/1034815801.db2.gz KZOLXHYNPBVWRN-UHFFFAOYSA-N 1 2 346.434 3.692 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(SC(F)(F)F)cc1)C2 ZINC000375880397 1034818933 /nfs/dbraw/zinc/81/89/33/1034818933.db2.gz MQUXSCFFTRBMKJ-UHFFFAOYSA-N 1 2 327.375 3.590 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000612348447 1034822661 /nfs/dbraw/zinc/82/26/61/1034822661.db2.gz ZBIPZIQKBWQOSF-OWYHZJEWSA-N 1 2 329.488 3.899 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000601930365 1034826969 /nfs/dbraw/zinc/82/69/69/1034826969.db2.gz HROMONLEQYGGCW-NXEZZACHSA-N 1 2 342.317 3.892 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431650080 1034829955 /nfs/dbraw/zinc/82/99/55/1034829955.db2.gz ZAJPTYMVMBVNKD-QGZVFWFLSA-N 1 2 333.435 3.660 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375889511 1034847604 /nfs/dbraw/zinc/84/76/04/1034847604.db2.gz JZKQECFNNWGUOK-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000375889511 1034847615 /nfs/dbraw/zinc/84/76/15/1034847615.db2.gz JZKQECFNNWGUOK-SFHVURJKSA-N 1 2 347.418 3.567 20 0 EHADLO CC1(C)C[C@@H](O)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450862055 1034877001 /nfs/dbraw/zinc/87/70/01/1034877001.db2.gz ZLSILHPIRJENMM-LBPRGKRZSA-N 1 2 349.272 3.985 20 0 EHADLO CCc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)oc1CC ZINC000569983771 1034940551 /nfs/dbraw/zinc/94/05/51/1034940551.db2.gz CGMZVJPXOWHVCS-WKILWMFISA-N 1 2 341.455 3.953 20 0 EHADLO FC(F)(F)COc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121468110 1034965514 /nfs/dbraw/zinc/96/55/14/1034965514.db2.gz DMGUHQQMKFBZRN-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO FC(F)(F)COc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121468110 1034965521 /nfs/dbraw/zinc/96/55/21/1034965521.db2.gz DMGUHQQMKFBZRN-INIZCTEOSA-N 1 2 341.329 3.794 20 0 EHADLO COc1ccc2c(C)cc3nn(C[N@H+](C)CC(C)C)c(=S)n3c2c1 ZINC000065943677 1034984345 /nfs/dbraw/zinc/98/43/45/1034984345.db2.gz GPMAGGRYKWAOBM-UHFFFAOYSA-N 1 2 344.484 3.881 20 0 EHADLO COc1ccc2c(C)cc3nn(C[N@@H+](C)CC(C)C)c(=S)n3c2c1 ZINC000065943677 1034984353 /nfs/dbraw/zinc/98/43/53/1034984353.db2.gz GPMAGGRYKWAOBM-UHFFFAOYSA-N 1 2 344.484 3.881 20 0 EHADLO CC[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000413785237 1035018713 /nfs/dbraw/zinc/01/87/13/1035018713.db2.gz QMODHQQBPDUTDW-IEBWSBKVSA-N 1 2 329.488 3.551 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000413785235 1035018840 /nfs/dbraw/zinc/01/88/40/1035018840.db2.gz QMODHQQBPDUTDW-HKUYNNGSSA-N 1 2 329.488 3.551 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000612533346 1035037936 /nfs/dbraw/zinc/03/79/36/1035037936.db2.gz XRPKOLABUFLFRG-WOJBJXKFSA-N 1 2 345.446 3.550 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)cs2)cc1 ZINC000291243416 1035228096 /nfs/dbraw/zinc/22/80/96/1035228096.db2.gz LIGCPKMFLLOBGO-CQSZACIVSA-N 1 2 338.423 3.568 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)cs2)cc1 ZINC000291243416 1035228103 /nfs/dbraw/zinc/22/81/03/1035228103.db2.gz LIGCPKMFLLOBGO-CQSZACIVSA-N 1 2 338.423 3.568 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000612818839 1035242318 /nfs/dbraw/zinc/24/23/18/1035242318.db2.gz NHBIJQNRWTULPT-UPJWGTAASA-N 1 2 328.909 3.726 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000612818839 1035242324 /nfs/dbraw/zinc/24/23/24/1035242324.db2.gz NHBIJQNRWTULPT-UPJWGTAASA-N 1 2 328.909 3.726 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000376090874 1035250097 /nfs/dbraw/zinc/25/00/97/1035250097.db2.gz AVUGXEQLTICUDX-ZDUSSCGKSA-N 1 2 332.835 3.793 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(C2CC2)cc1 ZINC000685812520 1035259816 /nfs/dbraw/zinc/25/98/16/1035259816.db2.gz HGCCSZPJAMWQKA-UHFFFAOYSA-N 1 2 331.419 3.990 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000570480890 1035283057 /nfs/dbraw/zinc/28/30/57/1035283057.db2.gz RWIAOSHYSMZSDJ-INIZCTEOSA-N 1 2 340.471 3.509 20 0 EHADLO O=C(NCCCC1CCCCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000468464971 1035302779 /nfs/dbraw/zinc/30/27/79/1035302779.db2.gz CLFBXJLOQACZHS-UHFFFAOYSA-N 1 2 344.499 3.609 20 0 EHADLO Cc1nn(C)c(C[N@H+](C)CC2(c3ccccc3)CC2)c1Br ZINC000448361385 1035403230 /nfs/dbraw/zinc/40/32/30/1035403230.db2.gz XAOJFHMRIDYVTI-UHFFFAOYSA-N 1 2 348.288 3.655 20 0 EHADLO Cc1nn(C)c(C[N@@H+](C)CC2(c3ccccc3)CC2)c1Br ZINC000448361385 1035403232 /nfs/dbraw/zinc/40/32/32/1035403232.db2.gz XAOJFHMRIDYVTI-UHFFFAOYSA-N 1 2 348.288 3.655 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1ccc(OC(F)F)c(F)c1 ZINC000448361717 1035403484 /nfs/dbraw/zinc/40/34/84/1035403484.db2.gz YCVGCIZGIZBBDX-UHFFFAOYSA-N 1 2 346.374 3.532 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1ccc(OC(F)F)c(F)c1 ZINC000448361717 1035403486 /nfs/dbraw/zinc/40/34/86/1035403486.db2.gz YCVGCIZGIZBBDX-UHFFFAOYSA-N 1 2 346.374 3.532 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444721752 1035408828 /nfs/dbraw/zinc/40/88/28/1035408828.db2.gz GBPXFRYBTYMGJP-BXUZGUMPSA-N 1 2 336.423 3.621 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000444721752 1035408830 /nfs/dbraw/zinc/40/88/30/1035408830.db2.gz GBPXFRYBTYMGJP-BXUZGUMPSA-N 1 2 336.423 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177835030 1035410543 /nfs/dbraw/zinc/41/05/43/1035410543.db2.gz JQTDNNRLEZAZKT-OAHLLOKOSA-N 1 2 345.874 3.604 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177835030 1035410544 /nfs/dbraw/zinc/41/05/44/1035410544.db2.gz JQTDNNRLEZAZKT-OAHLLOKOSA-N 1 2 345.874 3.604 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H]1C1CCCC1 ZINC000431760284 1035440672 /nfs/dbraw/zinc/44/06/72/1035440672.db2.gz WXNUHFXRXLPWSN-HXUWFJFHSA-N 1 2 337.467 3.655 20 0 EHADLO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cc2n(n1)CCC2 ZINC000414089342 1035471593 /nfs/dbraw/zinc/47/15/93/1035471593.db2.gz JZPIGFNWMCKHPC-PXAZEXFGSA-N 1 2 329.419 3.921 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000492265685 1035539781 /nfs/dbraw/zinc/53/97/81/1035539781.db2.gz HGOZNGKOJNOMRN-ZIAGYGMSSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000492265685 1035539796 /nfs/dbraw/zinc/53/97/96/1035539796.db2.gz HGOZNGKOJNOMRN-ZIAGYGMSSA-N 1 2 338.835 3.716 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000571535004 1035546344 /nfs/dbraw/zinc/54/63/44/1035546344.db2.gz JBQWLTHKEWCVQC-LPHOPBHVSA-N 1 2 325.456 3.602 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000571535004 1035546367 /nfs/dbraw/zinc/54/63/67/1035546367.db2.gz JBQWLTHKEWCVQC-LPHOPBHVSA-N 1 2 325.456 3.602 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414111603 1035552515 /nfs/dbraw/zinc/55/25/15/1035552515.db2.gz MPAFUXRKFMLLCL-INIZCTEOSA-N 1 2 349.482 3.989 20 0 EHADLO COc1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)ccc1SC ZINC000463502342 1035562921 /nfs/dbraw/zinc/56/29/21/1035562921.db2.gz ZGTMSWJMNNAMCY-UHFFFAOYSA-N 1 2 347.871 3.991 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@@H](C)C1 ZINC000456996056 1035610314 /nfs/dbraw/zinc/61/03/14/1035610314.db2.gz ZOMQEKFPRSOAKH-RYRKJORJSA-N 1 2 325.456 3.876 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)ccc2O1 ZINC000186311465 1035614197 /nfs/dbraw/zinc/61/41/97/1035614197.db2.gz SHWVJMAORKBNSH-QGZVFWFLSA-N 1 2 345.464 3.967 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCO[C@@H](c4cccs4)C3)ccc2O1 ZINC000186311465 1035614202 /nfs/dbraw/zinc/61/42/02/1035614202.db2.gz SHWVJMAORKBNSH-QGZVFWFLSA-N 1 2 345.464 3.967 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3CCc4ccccc4C3)c12 ZINC000613343910 1035624955 /nfs/dbraw/zinc/62/49/55/1035624955.db2.gz MIMIIGARVRUHIM-QGZVFWFLSA-N 1 2 341.418 3.785 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(COC(C)(C)C)on2)o1 ZINC000186423397 1035630124 /nfs/dbraw/zinc/63/01/24/1035630124.db2.gz TYEDPHVOIZSVPJ-UHFFFAOYSA-N 1 2 344.415 3.571 20 0 EHADLO Cc1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)c(C)[nH+]1 ZINC000186464077 1035639733 /nfs/dbraw/zinc/63/97/33/1035639733.db2.gz XVSAPFPRCULERD-UHFFFAOYSA-N 1 2 337.452 3.979 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)cc1 ZINC000511490711 1035639887 /nfs/dbraw/zinc/63/98/87/1035639887.db2.gz WOWZDKXWFBQKFF-UHFFFAOYSA-N 1 2 328.481 3.577 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C2CC2)o1 ZINC000642254076 1035686760 /nfs/dbraw/zinc/68/67/60/1035686760.db2.gz SEIBKADIDMNFIZ-RCJHGTSTSA-N 1 2 344.499 3.872 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C2CC2)o1 ZINC000642254076 1035686771 /nfs/dbraw/zinc/68/67/71/1035686771.db2.gz SEIBKADIDMNFIZ-RCJHGTSTSA-N 1 2 344.499 3.872 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c(C)c1 ZINC000414137933 1035722614 /nfs/dbraw/zinc/72/26/14/1035722614.db2.gz FBMRRUKWWIGKMS-NSHDSACASA-N 1 2 325.334 3.663 20 0 EHADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000457078858 1035727933 /nfs/dbraw/zinc/72/79/33/1035727933.db2.gz MBKHRXFORZYLNS-HLLBOEOZSA-N 1 2 343.858 3.551 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(C)nc3C)CC2)c1 ZINC000186955536 1035751220 /nfs/dbraw/zinc/75/12/20/1035751220.db2.gz CXNZRFNWSXZQCZ-GOSISDBHSA-N 1 2 339.483 3.586 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3c(F)cccc32)s1 ZINC000414145186 1035762718 /nfs/dbraw/zinc/76/27/18/1035762718.db2.gz PBWZVWCSUKCLIV-QMTHXVAHSA-N 1 2 334.416 3.797 20 0 EHADLO COc1c(Br)cccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000187308068 1035790346 /nfs/dbraw/zinc/79/03/46/1035790346.db2.gz YVLAJCFXNADUQV-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)Cc1ccoc1 ZINC000588169399 1035796151 /nfs/dbraw/zinc/79/61/51/1035796151.db2.gz YFJRBSZWHDQMNO-INIZCTEOSA-N 1 2 340.467 3.858 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)Cc1ccoc1 ZINC000588169399 1035796169 /nfs/dbraw/zinc/79/61/69/1035796169.db2.gz YFJRBSZWHDQMNO-INIZCTEOSA-N 1 2 340.467 3.858 20 0 EHADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccsc1 ZINC000669887379 1035857915 /nfs/dbraw/zinc/85/79/15/1035857915.db2.gz NPDONYACOPULOT-KGLIPLIRSA-N 1 2 349.525 3.959 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)s1 ZINC000414171617 1035859162 /nfs/dbraw/zinc/85/91/62/1035859162.db2.gz XNTYGPQBBTZQJI-CBAPKCEASA-N 1 2 342.873 3.983 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1cc2n(n1)CCC2 ZINC000414168941 1035864269 /nfs/dbraw/zinc/86/42/69/1035864269.db2.gz VBKXKKNPIPHJCR-INIZCTEOSA-N 1 2 348.450 3.654 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCC(F)(F)F)co2)cc1 ZINC000541069533 1035966370 /nfs/dbraw/zinc/96/63/70/1035966370.db2.gz DACKLEVRVCWGSQ-UHFFFAOYSA-N 1 2 342.317 3.512 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCC(F)(F)F)co2)cc1 ZINC000541069533 1035966381 /nfs/dbraw/zinc/96/63/81/1035966381.db2.gz DACKLEVRVCWGSQ-UHFFFAOYSA-N 1 2 342.317 3.512 20 0 EHADLO CCc1cc(N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nc(C)[nH+]1 ZINC000541090940 1035975376 /nfs/dbraw/zinc/97/53/76/1035975376.db2.gz RDNVQHXYONFQKG-BEFAXECRSA-N 1 2 325.456 3.931 20 0 EHADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000332708896 1035994926 /nfs/dbraw/zinc/99/49/26/1035994926.db2.gz JSRKEEWHBKMVAS-FCLVOEFKSA-N 1 2 338.455 3.600 20 0 EHADLO COc1cc(C[N@H+](C)Cc2csc(-c3ccccn3)n2)ccc1O ZINC000174542140 1035996302 /nfs/dbraw/zinc/99/63/02/1035996302.db2.gz FTSVLSLGJLJYPE-UHFFFAOYSA-N 1 2 341.436 3.551 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2csc(-c3ccccn3)n2)ccc1O ZINC000174542140 1035996315 /nfs/dbraw/zinc/99/63/15/1035996315.db2.gz FTSVLSLGJLJYPE-UHFFFAOYSA-N 1 2 341.436 3.551 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000572132890 1036011142 /nfs/dbraw/zinc/01/11/42/1036011142.db2.gz QMQXDEWMRWANAE-HNAYVOBHSA-N 1 2 341.455 3.741 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000572132890 1036011163 /nfs/dbraw/zinc/01/11/63/1036011163.db2.gz QMQXDEWMRWANAE-HNAYVOBHSA-N 1 2 341.455 3.741 20 0 EHADLO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000572291567 1036055566 /nfs/dbraw/zinc/05/55/66/1036055566.db2.gz RMPQWOUOILQWAZ-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000572291567 1036055580 /nfs/dbraw/zinc/05/55/80/1036055580.db2.gz RMPQWOUOILQWAZ-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000572182990 1036036941 /nfs/dbraw/zinc/03/69/41/1036036941.db2.gz AJUAXZYOWIMJNW-HXUWFJFHSA-N 1 2 339.483 3.952 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000189494042 1036071560 /nfs/dbraw/zinc/07/15/60/1036071560.db2.gz SYWDOTDVWGLBAC-INIZCTEOSA-N 1 2 337.467 3.783 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)c1c(C)[nH]c3ccccc31)CC2 ZINC000063565271 1036125094 /nfs/dbraw/zinc/12/50/94/1036125094.db2.gz UKLVEVYQVWENHH-UHFFFAOYSA-N 1 2 334.419 3.726 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)c1c(C)[nH]c3ccccc31)CC2 ZINC000063565271 1036125107 /nfs/dbraw/zinc/12/51/07/1036125107.db2.gz UKLVEVYQVWENHH-UHFFFAOYSA-N 1 2 334.419 3.726 20 0 EHADLO COc1cc(C2(C(=O)Nc3ccc4[nH+]c(C)cn4c3)CC2)ccc1C ZINC000588858377 1036145371 /nfs/dbraw/zinc/14/53/71/1036145371.db2.gz ZXVKNCMURWGEHL-UHFFFAOYSA-N 1 2 335.407 3.630 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000457483262 1036157781 /nfs/dbraw/zinc/15/77/81/1036157781.db2.gz MFBWPAACHVZSRN-LLVKDONJSA-N 1 2 349.422 3.902 20 0 EHADLO Cc1nnc(C[NH2+]Cc2ccccc2COCc2ccccc2)s1 ZINC000892569613 1036175820 /nfs/dbraw/zinc/17/58/20/1036175820.db2.gz CPCNHKOIHKXJSH-UHFFFAOYSA-N 1 2 339.464 3.853 20 0 EHADLO CSCc1cccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000609454595 1036201223 /nfs/dbraw/zinc/20/12/23/1036201223.db2.gz JVMJWFMUOVPGJU-UHFFFAOYSA-N 1 2 325.437 3.687 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCc3cccc(F)c3F)CCO2)c1 ZINC000541348772 1036223320 /nfs/dbraw/zinc/22/33/20/1036223320.db2.gz HJSUZZIVCKWTTI-SFHVURJKSA-N 1 2 333.378 3.589 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCc3cccc(F)c3F)CCO2)c1 ZINC000541348772 1036223343 /nfs/dbraw/zinc/22/33/43/1036223343.db2.gz HJSUZZIVCKWTTI-SFHVURJKSA-N 1 2 333.378 3.589 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259800 1036247388 /nfs/dbraw/zinc/24/73/88/1036247388.db2.gz IRDZQEVDUJWKMV-SFHVURJKSA-N 1 2 334.529 3.999 20 0 EHADLO COc1ccnc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1OC ZINC000190582565 1036251260 /nfs/dbraw/zinc/25/12/60/1036251260.db2.gz XZQYRKFFVIRTQB-KDOFPFPSSA-N 1 2 344.480 3.777 20 0 EHADLO COc1ccnc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1OC ZINC000190582565 1036251278 /nfs/dbraw/zinc/25/12/78/1036251278.db2.gz XZQYRKFFVIRTQB-KDOFPFPSSA-N 1 2 344.480 3.777 20 0 EHADLO CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175299755 1036290621 /nfs/dbraw/zinc/29/06/21/1036290621.db2.gz XIRSHMCBBWCAHM-SJORKVTESA-N 1 2 329.469 3.666 20 0 EHADLO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2CC[C@H](C)O2)n1 ZINC000190899397 1036318786 /nfs/dbraw/zinc/31/87/86/1036318786.db2.gz GGSJJEQAYGTFDW-FXAWDEMLSA-N 1 2 325.456 3.663 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1nsc(N(C)C)n1 ZINC000191006518 1036326466 /nfs/dbraw/zinc/32/64/66/1036326466.db2.gz IALWXFIYHQVRKB-UHFFFAOYSA-N 1 2 345.497 3.532 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000457635876 1036337144 /nfs/dbraw/zinc/33/71/44/1036337144.db2.gz BBBLEJLHKIWGGC-QFBILLFUSA-N 1 2 325.456 3.659 20 0 EHADLO Cc1ccc(Br)c(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000414265148 1036338906 /nfs/dbraw/zinc/33/89/06/1036338906.db2.gz QWLSNKVZYDEHLH-OAHLLOKOSA-N 1 2 334.261 3.732 20 0 EHADLO Oc1ccc(C2=CC[N@H+](Cc3nccn3-c3ccccc3)CC2)cc1 ZINC000191198430 1036345910 /nfs/dbraw/zinc/34/59/10/1036345910.db2.gz IFLYRFZUNMUUIN-UHFFFAOYSA-N 1 2 331.419 3.867 20 0 EHADLO Oc1ccc(C2=CC[N@@H+](Cc3nccn3-c3ccccc3)CC2)cc1 ZINC000191198430 1036345923 /nfs/dbraw/zinc/34/59/23/1036345923.db2.gz IFLYRFZUNMUUIN-UHFFFAOYSA-N 1 2 331.419 3.867 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000191406170 1036379859 /nfs/dbraw/zinc/37/98/59/1036379859.db2.gz DTVRSLIXYQEIOD-HXUWFJFHSA-N 1 2 335.451 3.645 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000191406170 1036379877 /nfs/dbraw/zinc/37/98/77/1036379877.db2.gz DTVRSLIXYQEIOD-HXUWFJFHSA-N 1 2 335.451 3.645 20 0 EHADLO Cc1ccc(Br)c(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414273673 1036384283 /nfs/dbraw/zinc/38/42/83/1036384283.db2.gz ZJLAYRWZQLFEBS-GFCCVEGCSA-N 1 2 334.261 3.751 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCc4cc(Cl)ccc4C3)cnc2n1 ZINC000191612511 1036400439 /nfs/dbraw/zinc/40/04/39/1036400439.db2.gz HEVFOOTZVFGZPT-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCc4cc(Cl)ccc4C3)cnc2n1 ZINC000191612511 1036400447 /nfs/dbraw/zinc/40/04/47/1036400447.db2.gz HEVFOOTZVFGZPT-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cc1c(Cl)cncc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000457714930 1036429623 /nfs/dbraw/zinc/42/96/23/1036429623.db2.gz RBZFKQJMBTUMFI-UHFFFAOYSA-N 1 2 346.862 3.573 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)nn1C ZINC000666222749 1036452758 /nfs/dbraw/zinc/45/27/58/1036452758.db2.gz AFTMGBLFJATXKL-UHFFFAOYSA-N 1 2 336.439 3.822 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191981399 1036468915 /nfs/dbraw/zinc/46/89/15/1036468915.db2.gz JZCRMUIVSLFJIF-OAHLLOKOSA-N 1 2 333.439 3.868 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000191981399 1036468922 /nfs/dbraw/zinc/46/89/22/1036468922.db2.gz JZCRMUIVSLFJIF-OAHLLOKOSA-N 1 2 333.439 3.868 20 0 EHADLO CC(C)(C)C1CC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000457765588 1036468934 /nfs/dbraw/zinc/46/89/34/1036468934.db2.gz NJIYTVGITJIASX-UHFFFAOYSA-N 1 2 343.515 3.998 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000192139010 1036479630 /nfs/dbraw/zinc/47/96/30/1036479630.db2.gz GUDBEIMLFKKQLY-ZDUSSCGKSA-N 1 2 346.862 3.724 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000192139010 1036479638 /nfs/dbraw/zinc/47/96/38/1036479638.db2.gz GUDBEIMLFKKQLY-ZDUSSCGKSA-N 1 2 346.862 3.724 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(Cl)cc1F ZINC000464492397 1036500318 /nfs/dbraw/zinc/50/03/18/1036500318.db2.gz CMQDGHYXWLQTII-OAHLLOKOSA-N 1 2 339.846 3.708 20 0 EHADLO CCCCCn1cc(C(=O)NCCc2cn(C)c[nH+]2)c2ccccc21 ZINC000457853292 1036557230 /nfs/dbraw/zinc/55/72/30/1036557230.db2.gz JHXBYYBRVNFEIS-UHFFFAOYSA-N 1 2 338.455 3.538 20 0 EHADLO CC(C)OCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541700861 1036579547 /nfs/dbraw/zinc/57/95/47/1036579547.db2.gz FHEPDQGRVYWWCS-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO CC(C)OCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541700861 1036579562 /nfs/dbraw/zinc/57/95/62/1036579562.db2.gz FHEPDQGRVYWWCS-UHFFFAOYSA-N 1 2 330.241 3.761 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)c1 ZINC000457854465 1036580763 /nfs/dbraw/zinc/58/07/63/1036580763.db2.gz KMNCIDLKFOWGJU-UHFFFAOYSA-N 1 2 345.874 3.535 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCOCCc2ccccc2)no1 ZINC000613531440 1036618411 /nfs/dbraw/zinc/61/84/11/1036618411.db2.gz WEASBBVRWRMCQU-SFHVURJKSA-N 1 2 343.471 3.808 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@H+]2CCCOCCc2ccccc2)no1 ZINC000613531440 1036618417 /nfs/dbraw/zinc/61/84/17/1036618417.db2.gz WEASBBVRWRMCQU-SFHVURJKSA-N 1 2 343.471 3.808 20 0 EHADLO Nc1c(Br)cc(Br)cc1C[NH+]1CCCCC1 ZINC000034430560 1036637385 /nfs/dbraw/zinc/63/73/85/1036637385.db2.gz HBVVOHCANOWRNO-UHFFFAOYSA-N 1 2 348.082 3.780 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ncsc1C1CC1 ZINC000914118745 1036674384 /nfs/dbraw/zinc/67/43/84/1036674384.db2.gz GQELOKTXXSJEFT-AWEZNQCLSA-N 1 2 338.436 3.904 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000057085794 1036681749 /nfs/dbraw/zinc/68/17/49/1036681749.db2.gz IJSFNSNYCNDWNW-FQEVSTJZSA-N 1 2 331.419 3.705 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000057085794 1036681757 /nfs/dbraw/zinc/68/17/57/1036681757.db2.gz IJSFNSNYCNDWNW-FQEVSTJZSA-N 1 2 331.419 3.705 20 0 EHADLO Cc1cc(N)nc(SCc2ccc(Br)c(F)c2)[nH+]1 ZINC000176727921 1036682992 /nfs/dbraw/zinc/68/29/92/1036682992.db2.gz DOPXUJBFBDNFEV-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO C[C@H](SCCCC(C)(C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000589973484 1036684584 /nfs/dbraw/zinc/68/45/84/1036684584.db2.gz IJQKDPRAESCKIL-INIZCTEOSA-N 1 2 349.544 3.678 20 0 EHADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000541846430 1036695228 /nfs/dbraw/zinc/69/52/28/1036695228.db2.gz KFVPPFCELKGGAG-IUCAKERBSA-N 1 2 332.395 3.931 20 0 EHADLO CC(C)c1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000535592604 1036696599 /nfs/dbraw/zinc/69/65/99/1036696599.db2.gz DOXMDLMCLRWASH-CQSZACIVSA-N 1 2 333.476 3.891 20 0 EHADLO NC(=O)[C@@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)c1ccccc1 ZINC000134303684 1036772168 /nfs/dbraw/zinc/77/21/68/1036772168.db2.gz BEWBQCWCKDXOGC-HOCLYGCPSA-N 1 2 335.234 3.797 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000302910551 1036845115 /nfs/dbraw/zinc/84/51/15/1036845115.db2.gz LPVQBBBGUXOIRK-HNNXBMFYSA-N 1 2 348.454 3.699 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000302910551 1036845126 /nfs/dbraw/zinc/84/51/26/1036845126.db2.gz LPVQBBBGUXOIRK-HNNXBMFYSA-N 1 2 348.454 3.699 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000590381832 1036861417 /nfs/dbraw/zinc/86/14/17/1036861417.db2.gz JPVLXXVMNOAQMW-WIYYLYMNSA-N 1 2 343.467 3.785 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000590381832 1036861439 /nfs/dbraw/zinc/86/14/39/1036861439.db2.gz JPVLXXVMNOAQMW-WIYYLYMNSA-N 1 2 343.467 3.785 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(F)ccc2Br)o1 ZINC000892628116 1036875959 /nfs/dbraw/zinc/87/59/59/1036875959.db2.gz ISJAVYNRNZRXPQ-UHFFFAOYSA-N 1 2 328.181 3.870 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)Nc1ccccc1 ZINC000103490013 1036927633 /nfs/dbraw/zinc/92/76/33/1036927633.db2.gz NQDFEAHYZBZVEK-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)Nc1ccccc1 ZINC000103490013 1036927682 /nfs/dbraw/zinc/92/76/82/1036927682.db2.gz NQDFEAHYZBZVEK-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO CN(Cc1cccc2ccccc21)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774544 1036932525 /nfs/dbraw/zinc/93/25/25/1036932525.db2.gz UEWCWTXUCZOPEM-UHFFFAOYSA-N 1 2 344.418 3.829 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774049 1036932967 /nfs/dbraw/zinc/93/29/67/1036932967.db2.gz UIXLRAXKUKBCLX-ZDUSSCGKSA-N 1 2 342.830 3.890 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000470941932 1036934801 /nfs/dbraw/zinc/93/48/01/1036934801.db2.gz ZQFAAPHJWHDPGI-ONGXEEELSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000470941932 1036934818 /nfs/dbraw/zinc/93/48/18/1036934818.db2.gz ZQFAAPHJWHDPGI-ONGXEEELSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H](CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000636429340 1036940781 /nfs/dbraw/zinc/94/07/81/1036940781.db2.gz DVXMDLSGSDGECP-MRXNPFEDSA-N 1 2 327.472 3.615 20 0 EHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180544832 1036967470 /nfs/dbraw/zinc/96/74/70/1036967470.db2.gz HPQFCNDVTYAOEL-WARSNTDWSA-N 1 2 343.492 3.976 20 0 EHADLO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180544832 1036967480 /nfs/dbraw/zinc/96/74/80/1036967480.db2.gz HPQFCNDVTYAOEL-WARSNTDWSA-N 1 2 343.492 3.976 20 0 EHADLO Cc1cc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000186722920 1036978947 /nfs/dbraw/zinc/97/89/47/1036978947.db2.gz DUOMRNMUQCCQKE-DOMZBBRYSA-N 1 2 329.366 3.558 20 0 EHADLO CC(C)c1ccc2occ(C(=O)N3CC[NH2+][C@H](c4ccncc4)C3)c2c1 ZINC000376458632 1036990404 /nfs/dbraw/zinc/99/04/04/1036990404.db2.gz AKFWRPRNGFIITF-IBGZPJMESA-N 1 2 349.434 3.738 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000666420591 1037004582 /nfs/dbraw/zinc/00/45/82/1037004582.db2.gz GJSQSZHISKHETE-VQTJNVASSA-N 1 2 349.478 3.587 20 0 EHADLO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725673 1037006809 /nfs/dbraw/zinc/00/68/09/1037006809.db2.gz RKPHZKPNVWSMFT-FUHWJXTLSA-N 1 2 343.496 3.864 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)coc2c1C ZINC000590730997 1037032145 /nfs/dbraw/zinc/03/21/45/1037032145.db2.gz LNUOXEUMMDWBNN-QGZVFWFLSA-N 1 2 337.423 3.652 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733723 1037034601 /nfs/dbraw/zinc/03/46/01/1037034601.db2.gz UQMJKVSMXIJZND-DZGCQCFKSA-N 1 2 349.887 3.881 20 0 EHADLO O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590731635 1037035195 /nfs/dbraw/zinc/03/51/95/1037035195.db2.gz PZTRMIQYKINBJA-LJQANCHMSA-N 1 2 343.430 3.932 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590799673 1037065399 /nfs/dbraw/zinc/06/53/99/1037065399.db2.gz OJYXLHVAWPVOJF-CYBMUJFWSA-N 1 2 348.834 3.723 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590848177 1037082459 /nfs/dbraw/zinc/08/24/59/1037082459.db2.gz UPRHSHCRJFNDCV-QZTJIDSGSA-N 1 2 326.444 3.627 20 0 EHADLO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590893674 1037109396 /nfs/dbraw/zinc/10/93/96/1037109396.db2.gz JNEHDZLYVVCTAU-IERDGZPVSA-N 1 2 345.446 3.871 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590910371 1037120034 /nfs/dbraw/zinc/12/00/34/1037120034.db2.gz UABVLGOEZYKXBZ-CQSZACIVSA-N 1 2 331.847 3.678 20 0 EHADLO Cc1cc(NC(=O)c2c(F)ccc(C)c2Br)c(C)c[nH+]1 ZINC000573040608 1037165323 /nfs/dbraw/zinc/16/53/23/1037165323.db2.gz VNQJPNBHGRQBPB-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO CCCOc1cccc2c(NC[C@@H](CO)Cc3ccco3)cc[nH+]c12 ZINC000539771257 1037172734 /nfs/dbraw/zinc/17/27/34/1037172734.db2.gz CNFWCHCMRGHJQF-HNNXBMFYSA-N 1 2 340.423 3.880 20 0 EHADLO COC(=O)c1cc2[nH+]c[nH]c2c(NCc2nccc3ccccc32)c1 ZINC001167703147 1037183704 /nfs/dbraw/zinc/18/37/04/1037183704.db2.gz UGCURILEWROMRP-UHFFFAOYSA-N 1 2 332.363 3.510 20 0 EHADLO CCC[C@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000187067298 1037192706 /nfs/dbraw/zinc/19/27/06/1037192706.db2.gz CRXKZVLJSQVOAR-HNNXBMFYSA-N 1 2 339.361 3.639 20 0 EHADLO O=C(Cc1cccc2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000591063004 1037225062 /nfs/dbraw/zinc/22/50/62/1037225062.db2.gz FVWXXYUUWFMKCS-UHFFFAOYSA-N 1 2 333.435 3.786 20 0 EHADLO CC1(C)CC[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000539838407 1037244473 /nfs/dbraw/zinc/24/44/73/1037244473.db2.gz VQTPRMPEPKNTOY-UHFFFAOYSA-N 1 2 326.234 3.595 20 0 EHADLO CC1(C)CC[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000539838407 1037244488 /nfs/dbraw/zinc/24/44/88/1037244488.db2.gz VQTPRMPEPKNTOY-UHFFFAOYSA-N 1 2 326.234 3.595 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)CCO1 ZINC000539827743 1037248103 /nfs/dbraw/zinc/24/81/03/1037248103.db2.gz WFSRHVGRVLOABO-AWEZNQCLSA-N 1 2 329.387 3.688 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)CCO1 ZINC000539827743 1037248118 /nfs/dbraw/zinc/24/81/18/1037248118.db2.gz WFSRHVGRVLOABO-AWEZNQCLSA-N 1 2 329.387 3.688 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc1O ZINC000539834812 1037262686 /nfs/dbraw/zinc/26/26/86/1037262686.db2.gz MTVPDJPVHYKLHI-IERDGZPVSA-N 1 2 341.451 3.980 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc1O ZINC000539834812 1037262697 /nfs/dbraw/zinc/26/26/97/1037262697.db2.gz MTVPDJPVHYKLHI-IERDGZPVSA-N 1 2 341.451 3.980 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591245623 1037286922 /nfs/dbraw/zinc/28/69/22/1037286922.db2.gz NEGGMRGWWQZUCI-GOSISDBHSA-N 1 2 331.847 3.974 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000465255459 1037288844 /nfs/dbraw/zinc/28/88/44/1037288844.db2.gz NUGRTEVCJLHUIQ-MDZRGWNJSA-N 1 2 345.487 3.780 20 0 EHADLO O=C(/C=C\c1cncs1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000493392686 1037291979 /nfs/dbraw/zinc/29/19/79/1037291979.db2.gz BCBOSDBVGAQMLT-FPLPWBNLSA-N 1 2 348.431 3.710 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NCc1c[nH+]cn1C ZINC000360296921 1037293841 /nfs/dbraw/zinc/29/38/41/1037293841.db2.gz RRWGSFJXSZMMFK-UHFFFAOYSA-N 1 2 346.862 3.752 20 0 EHADLO C[C@H](Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1)n1cc[nH+]c1 ZINC000573124913 1037295116 /nfs/dbraw/zinc/29/51/16/1037295116.db2.gz PAFUIAYLJCOLEU-SNVBAGLBSA-N 1 2 337.210 3.967 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000106136226 1037304955 /nfs/dbraw/zinc/30/49/55/1037304955.db2.gz SKBFQCHFZXMLGI-HUUCEWRRSA-N 1 2 346.450 3.772 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Nc3ccccc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000573169468 1037361360 /nfs/dbraw/zinc/36/13/60/1037361360.db2.gz GDBZJDLWNCRWLT-DLBZAZTESA-N 1 2 343.496 3.698 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Nc3ccccc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000573169468 1037361374 /nfs/dbraw/zinc/36/13/74/1037361374.db2.gz GDBZJDLWNCRWLT-DLBZAZTESA-N 1 2 343.496 3.698 20 0 EHADLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000414401556 1037374520 /nfs/dbraw/zinc/37/45/20/1037374520.db2.gz ZIEVCWLAZGMCDG-UHFFFAOYSA-N 1 2 330.432 3.801 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(F)c(F)c2)CC1)Nc1ccccc1F ZINC000591378829 1037377289 /nfs/dbraw/zinc/37/72/89/1037377289.db2.gz IMJAOLQGCOAUQR-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO COc1ccc(CCNc2cc(C(F)(F)F)cc[nH+]2)cc1OC ZINC000301429273 1037384508 /nfs/dbraw/zinc/38/45/08/1037384508.db2.gz IADRYCBZZUHKCY-UHFFFAOYSA-N 1 2 326.318 3.772 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CNc3cccc(C(F)(F)F)c3)cc2[nH+]1 ZINC000591425492 1037394850 /nfs/dbraw/zinc/39/48/50/1037394850.db2.gz NKIQHQCJTAXLCK-UHFFFAOYSA-N 1 2 348.328 3.941 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)C[C@@H]3CCCc4ccccc43)sc2C1 ZINC000170978637 1037398319 /nfs/dbraw/zinc/39/83/19/1037398319.db2.gz NHHDOWXHZKDTQN-AWEZNQCLSA-N 1 2 341.480 3.580 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)C[C@@H]3CCCc4ccccc43)sc2C1 ZINC000170978637 1037398328 /nfs/dbraw/zinc/39/83/28/1037398328.db2.gz NHHDOWXHZKDTQN-AWEZNQCLSA-N 1 2 341.480 3.580 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)Nc1cccc(COC2CCCCC2)c1 ZINC000493496531 1037415912 /nfs/dbraw/zinc/41/59/12/1037415912.db2.gz WWWPWEBPMJVPSD-MDZDMXLPSA-N 1 2 325.412 3.911 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)Cc2ccccc2Cl)c1C ZINC000151595975 1037432085 /nfs/dbraw/zinc/43/20/85/1037432085.db2.gz URFBMTCZYLQZHU-GFCCVEGCSA-N 1 2 346.858 3.855 20 0 EHADLO CCC1(CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCC1 ZINC000084165826 1037437842 /nfs/dbraw/zinc/43/78/42/1037437842.db2.gz IQDRTVDUBDEELV-KRWDZBQOSA-N 1 2 340.471 3.583 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065005 1037445547 /nfs/dbraw/zinc/44/55/47/1037445547.db2.gz GMGOLGNKJNNGDG-UHFFFAOYSA-N 1 2 329.400 3.714 20 0 EHADLO Cc1ccc(/C=C\C(=O)NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000491436939 1037461600 /nfs/dbraw/zinc/46/16/00/1037461600.db2.gz PGMSMZXSNYEOLX-FPLPWBNLSA-N 1 2 329.831 3.511 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000532485962 1037523960 /nfs/dbraw/zinc/52/39/60/1037523960.db2.gz QRAKQQBDSDUZQC-AEFFLSMTSA-N 1 2 328.456 3.828 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000532485962 1037523975 /nfs/dbraw/zinc/52/39/75/1037523975.db2.gz QRAKQQBDSDUZQC-AEFFLSMTSA-N 1 2 328.456 3.828 20 0 EHADLO Cn1c(C[NH+]2CCC(Cc3ccccc3F)CC2)nnc1C1CCC1 ZINC000376540212 1037526018 /nfs/dbraw/zinc/52/60/18/1037526018.db2.gz OKUQETWZXMYWHY-UHFFFAOYSA-N 1 2 342.462 3.676 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000493817011 1037652335 /nfs/dbraw/zinc/65/23/35/1037652335.db2.gz HGYRSFAMJHZDCV-ZHACJKMWSA-N 1 2 327.403 3.924 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)CC3CCCC3)c(=S)[nH]2)cc1 ZINC000058207440 1037654098 /nfs/dbraw/zinc/65/40/98/1037654098.db2.gz LZPIQLYASMKNKD-UHFFFAOYSA-N 1 2 332.473 3.696 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)CC3CCCC3)c(=S)[nH]2)cc1 ZINC000058207440 1037654108 /nfs/dbraw/zinc/65/41/08/1037654108.db2.gz LZPIQLYASMKNKD-UHFFFAOYSA-N 1 2 332.473 3.696 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000151773546 1037655563 /nfs/dbraw/zinc/65/55/63/1037655563.db2.gz KEGJVYZEUIYLCF-RTBURBONSA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000151773546 1037655579 /nfs/dbraw/zinc/65/55/79/1037655579.db2.gz KEGJVYZEUIYLCF-RTBURBONSA-N 1 2 338.476 3.708 20 0 EHADLO Cc1cc(=NC(=O)c2cccc(-n3cc[nH+]c3)c2)[nH]n1C1CCCCC1 ZINC000573653735 1037672279 /nfs/dbraw/zinc/67/22/79/1037672279.db2.gz WDHMCGKTEPUYOE-UHFFFAOYSA-N 1 2 349.438 3.557 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000463037149 1037676437 /nfs/dbraw/zinc/67/64/37/1037676437.db2.gz MJYOWHDBWNIXSP-KRWDZBQOSA-N 1 2 342.508 3.895 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)n1 ZINC000646131704 1037677208 /nfs/dbraw/zinc/67/72/08/1037677208.db2.gz GNFVDMIFIKRMMP-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)n1 ZINC000646131704 1037677216 /nfs/dbraw/zinc/67/72/16/1037677216.db2.gz GNFVDMIFIKRMMP-OAHLLOKOSA-N 1 2 327.428 3.579 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCSC[C@@H]1C ZINC000532583696 1037706280 /nfs/dbraw/zinc/70/62/80/1037706280.db2.gz PQILTMFZJBCFCM-ZDUSSCGKSA-N 1 2 344.480 3.657 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCSC[C@@H]1C ZINC000532583696 1037706292 /nfs/dbraw/zinc/70/62/92/1037706292.db2.gz PQILTMFZJBCFCM-ZDUSSCGKSA-N 1 2 344.480 3.657 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000463064863 1037717475 /nfs/dbraw/zinc/71/74/75/1037717475.db2.gz RKCSQYKWHWIBPB-QUCCMNQESA-N 1 2 337.467 3.973 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)cn1 ZINC000182088085 1037738123 /nfs/dbraw/zinc/73/81/23/1037738123.db2.gz RHLZBMFKCYDCJB-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112008621 1037749249 /nfs/dbraw/zinc/74/92/49/1037749249.db2.gz XRIJUDWIJHGMOV-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114440716 1037801414 /nfs/dbraw/zinc/80/14/14/1037801414.db2.gz WWMPVLKRCKRNOL-OAQYLSRUSA-N 1 2 335.451 3.894 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096446 1037818087 /nfs/dbraw/zinc/81/80/87/1037818087.db2.gz LAZMIDGSZYJORE-SJLPKXTDSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096446 1037818100 /nfs/dbraw/zinc/81/81/00/1037818100.db2.gz LAZMIDGSZYJORE-SJLPKXTDSA-N 1 2 336.426 3.653 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378077161 1037825751 /nfs/dbraw/zinc/82/57/51/1037825751.db2.gz MPPCFWBREVTBDG-GOSISDBHSA-N 1 2 325.456 3.631 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378077161 1037825766 /nfs/dbraw/zinc/82/57/66/1037825766.db2.gz MPPCFWBREVTBDG-GOSISDBHSA-N 1 2 325.456 3.631 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000540329644 1037830919 /nfs/dbraw/zinc/83/09/19/1037830919.db2.gz ZHTQOSRPHZKNMO-OAHLLOKOSA-N 1 2 337.423 3.714 20 0 EHADLO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3OC)CC2)c1Cl ZINC000592144317 1037847990 /nfs/dbraw/zinc/84/79/90/1037847990.db2.gz CZIUXJWOPWLDFU-UHFFFAOYSA-N 1 2 345.826 3.914 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000152535329 1037852324 /nfs/dbraw/zinc/85/23/24/1037852324.db2.gz PJCNYPJJBOAEFN-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000152535329 1037852346 /nfs/dbraw/zinc/85/23/46/1037852346.db2.gz PJCNYPJJBOAEFN-HNNXBMFYSA-N 1 2 347.459 3.793 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119263868 1037892151 /nfs/dbraw/zinc/89/21/51/1037892151.db2.gz ZPXKIGYICGMPOW-ROUUACIJSA-N 1 2 331.504 3.808 20 0 EHADLO COCCC1(c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)CCCC1 ZINC000924098269 1037897738 /nfs/dbraw/zinc/89/77/38/1037897738.db2.gz MUMWDAFOXNSLIU-HNNXBMFYSA-N 1 2 332.448 3.750 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000463266449 1037949148 /nfs/dbraw/zinc/94/91/48/1037949148.db2.gz NIDAAUFITKLXMS-QRWLVFNGSA-N 1 2 348.450 3.847 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)c1 ZINC000592453463 1037987800 /nfs/dbraw/zinc/98/78/00/1037987800.db2.gz ZEZAJIANLYBDDN-DEOSSOPVSA-N 1 2 338.476 3.997 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1CC(C)C ZINC001168244529 1037991905 /nfs/dbraw/zinc/99/19/05/1037991905.db2.gz OZMMVIKAYKNIFZ-IBGZPJMESA-N 1 2 327.472 3.799 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1CC(C)C ZINC001168244529 1037991926 /nfs/dbraw/zinc/99/19/26/1037991926.db2.gz OZMMVIKAYKNIFZ-IBGZPJMESA-N 1 2 327.472 3.799 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336878384 1038028778 /nfs/dbraw/zinc/02/87/78/1038028778.db2.gz DWHOMIOEIZUURZ-XJKCOSOUSA-N 1 2 347.484 3.708 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336878384 1038028793 /nfs/dbraw/zinc/02/87/93/1038028793.db2.gz DWHOMIOEIZUURZ-XJKCOSOUSA-N 1 2 347.484 3.708 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c(C)c[nH+]1 ZINC000540528389 1038056605 /nfs/dbraw/zinc/05/66/05/1038056605.db2.gz MBGBLVVQTZVYGF-HNNXBMFYSA-N 1 2 345.830 3.809 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000180286314 1038118040 /nfs/dbraw/zinc/11/80/40/1038118040.db2.gz LALCHCHPHUJANS-JKSUJKDBSA-N 1 2 331.504 3.520 20 0 EHADLO C[N@@H+]1CC[C@@H](Nc2nnc(C(F)F)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000278823558 1038128331 /nfs/dbraw/zinc/12/83/31/1038128331.db2.gz UEOGHQKHCWANHM-GHMZBOCLSA-N 1 2 346.353 3.611 20 0 EHADLO C[N@H+]1CC[C@@H](Nc2nnc(C(F)F)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000278823558 1038128336 /nfs/dbraw/zinc/12/83/36/1038128336.db2.gz UEOGHQKHCWANHM-GHMZBOCLSA-N 1 2 346.353 3.611 20 0 EHADLO O=C(Nc1cccc(OCCF)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124251343 1038159690 /nfs/dbraw/zinc/15/96/90/1038159690.db2.gz RDXGLTQASFMUAY-UHFFFAOYSA-N 1 2 339.370 3.532 20 0 EHADLO Cc1nnc(-c2ccccc2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)o1 ZINC000125023247 1038269262 /nfs/dbraw/zinc/26/92/62/1038269262.db2.gz ZOHVFNMKKFHIBS-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO Cc1cccc(C)c1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043358035 1038309693 /nfs/dbraw/zinc/30/96/93/1038309693.db2.gz PNDMRKXQXTTWQO-UHFFFAOYSA-N 1 2 348.450 3.912 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125353271 1038317224 /nfs/dbraw/zinc/31/72/24/1038317224.db2.gz KXBJULDPAOQOBU-AWEZNQCLSA-N 1 2 331.847 3.579 20 0 EHADLO Cc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000043507617 1038332105 /nfs/dbraw/zinc/33/21/05/1038332105.db2.gz XQKBXUZMBBFGDL-UHFFFAOYSA-N 1 2 339.464 3.501 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651350363 1038342373 /nfs/dbraw/zinc/34/23/73/1038342373.db2.gz QHWSJNLFEFXICG-INIZCTEOSA-N 1 2 345.874 3.553 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1c(F)cccc1Oc1ccccc1 ZINC000107383410 1038352956 /nfs/dbraw/zinc/35/29/56/1038352956.db2.gz FYECKEWNCMUTOO-UHFFFAOYSA-N 1 2 340.358 3.636 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3cc(C)ccc3C)ccc2[nH+]1 ZINC000339120684 1038357721 /nfs/dbraw/zinc/35/77/21/1038357721.db2.gz QJWGPKNDVAKPQP-UHFFFAOYSA-N 1 2 335.407 3.861 20 0 EHADLO CCCC[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000538546020 1038372614 /nfs/dbraw/zinc/37/26/14/1038372614.db2.gz FGLSJEIVPPMQOX-HXUWFJFHSA-N 1 2 342.487 3.559 20 0 EHADLO CC(C)Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc(=O)[nH]1 ZINC000538586928 1038389799 /nfs/dbraw/zinc/38/97/99/1038389799.db2.gz XHKGIBPNRFOOEE-UHFFFAOYSA-N 1 2 336.395 3.628 20 0 EHADLO c1cn(CCCCNc2cncc(SCc3ccccc3)n2)c[nH+]1 ZINC000538706528 1038481418 /nfs/dbraw/zinc/48/14/18/1038481418.db2.gz BGQPUGNVWNCKNC-UHFFFAOYSA-N 1 2 339.468 3.858 20 0 EHADLO C[C@H](N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1)C(F)(F)F ZINC000538722755 1038491171 /nfs/dbraw/zinc/49/11/71/1038491171.db2.gz NCLGUHKLEOWZSO-HNNXBMFYSA-N 1 2 349.400 3.817 20 0 EHADLO Brc1scnc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950489 1038493524 /nfs/dbraw/zinc/49/35/24/1038493524.db2.gz OLTBPGWSOPWGGO-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO Brc1scnc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950489 1038493529 /nfs/dbraw/zinc/49/35/29/1038493529.db2.gz OLTBPGWSOPWGGO-ZDUSSCGKSA-N 1 2 337.286 3.970 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccccc1N(C)C ZINC000538755322 1038518551 /nfs/dbraw/zinc/51/85/51/1038518551.db2.gz MGIMGHMKZSQKPK-OXQOHEQNSA-N 1 2 334.467 3.926 20 0 EHADLO CC1(C)CCC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000182506519 1038607745 /nfs/dbraw/zinc/60/77/45/1038607745.db2.gz LSURYZLDIGFKOY-UHFFFAOYSA-N 1 2 344.484 3.803 20 0 EHADLO CC1(C)CCC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000182506519 1038607751 /nfs/dbraw/zinc/60/77/51/1038607751.db2.gz LSURYZLDIGFKOY-UHFFFAOYSA-N 1 2 344.484 3.803 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@H](c3ccccc3F)CC2=O)s1 ZINC000182679138 1038626783 /nfs/dbraw/zinc/62/67/83/1038626783.db2.gz GRBNOXDVDJKPFU-CQSZACIVSA-N 1 2 332.444 3.601 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@H](c3ccccc3F)CC2=O)s1 ZINC000182679138 1038626787 /nfs/dbraw/zinc/62/67/87/1038626787.db2.gz GRBNOXDVDJKPFU-CQSZACIVSA-N 1 2 332.444 3.601 20 0 EHADLO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCCO2 ZINC000363833807 1038637884 /nfs/dbraw/zinc/63/78/84/1038637884.db2.gz ZKLYMAMARNPQQI-NHYWBVRUSA-N 1 2 347.361 3.910 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000339175307 1038664968 /nfs/dbraw/zinc/66/49/68/1038664968.db2.gz QERJJPCHFFWCRE-IBGZPJMESA-N 1 2 339.483 3.614 20 0 EHADLO CCc1nc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)sc1C ZINC000539223825 1038738420 /nfs/dbraw/zinc/73/84/20/1038738420.db2.gz NKVLWCXRCBTWAN-SECBINFHSA-N 1 2 339.411 3.581 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)c2ccccc2)cn1 ZINC000378653560 1038834614 /nfs/dbraw/zinc/83/46/14/1038834614.db2.gz WUNPGLRHRJZOSK-HXUWFJFHSA-N 1 2 343.434 3.689 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000539380992 1038872300 /nfs/dbraw/zinc/87/23/00/1038872300.db2.gz AYOSYKJZGXRZPE-CYBMUJFWSA-N 1 2 334.822 3.755 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488229813 1038980031 /nfs/dbraw/zinc/98/00/31/1038980031.db2.gz JYOCZBIDVIIMRA-LBPRGKRZSA-N 1 2 328.161 3.535 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CC3 ZINC000485355971 1038949322 /nfs/dbraw/zinc/94/93/22/1038949322.db2.gz JNFCXGHCNWFWTI-KGLIPLIRSA-N 1 2 328.456 3.653 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488229813 1038980020 /nfs/dbraw/zinc/98/00/20/1038980020.db2.gz JYOCZBIDVIIMRA-LBPRGKRZSA-N 1 2 328.161 3.535 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)nn1C ZINC000667590141 1039011196 /nfs/dbraw/zinc/01/11/96/1039011196.db2.gz MTZDRLZWMXWVED-AWEZNQCLSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)nn1C ZINC000667590141 1039011213 /nfs/dbraw/zinc/01/12/13/1039011213.db2.gz MTZDRLZWMXWVED-AWEZNQCLSA-N 1 2 339.361 3.785 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000156530503 1039019570 /nfs/dbraw/zinc/01/95/70/1039019570.db2.gz WOPOSMAVODTIMN-APWZRJJASA-N 1 2 348.450 3.681 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112865947 1039034741 /nfs/dbraw/zinc/03/47/41/1039034741.db2.gz BIJFWGTYSWHVHJ-LSDHHAIUSA-N 1 2 339.345 3.893 20 0 EHADLO Cc1ccc2ccccc2c1C[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000485421968 1039042235 /nfs/dbraw/zinc/04/22/35/1039042235.db2.gz IKBWXYBYHWZHOM-IBGZPJMESA-N 1 2 336.460 3.883 20 0 EHADLO Cc1ccc2ccccc2c1C[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000485421968 1039042255 /nfs/dbraw/zinc/04/22/55/1039042255.db2.gz IKBWXYBYHWZHOM-IBGZPJMESA-N 1 2 336.460 3.883 20 0 EHADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000910816336 1039091118 /nfs/dbraw/zinc/09/11/18/1039091118.db2.gz APMCLINORIMRRE-GFCCVEGCSA-N 1 2 337.345 3.517 20 0 EHADLO CN(C)c1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000345038971 1039092172 /nfs/dbraw/zinc/09/21/72/1039092172.db2.gz QGKFHLVMQNXBAY-UHFFFAOYSA-N 1 2 331.379 3.655 20 0 EHADLO C[C@]1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]2C[C@H]2C1 ZINC000626222635 1039103860 /nfs/dbraw/zinc/10/38/60/1039103860.db2.gz QHNQIUQVTWWFJL-UOIKSKOESA-N 1 2 348.516 3.687 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cn1ccc2ccccc21 ZINC000477996194 1039106472 /nfs/dbraw/zinc/10/64/72/1039106472.db2.gz FPADMWUNTRUETP-UHFFFAOYSA-N 1 2 330.391 3.979 20 0 EHADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000552269866 1039128603 /nfs/dbraw/zinc/12/86/03/1039128603.db2.gz VKURBJOMLGFSDZ-VDHUWJSZSA-N 1 2 333.472 3.658 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)O[C@H](C)C2 ZINC000552282599 1039134302 /nfs/dbraw/zinc/13/43/02/1039134302.db2.gz GRNIBIWBEOXZEI-VLIAUNLRSA-N 1 2 338.451 3.997 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)O[C@H](C)C2 ZINC000552282599 1039134312 /nfs/dbraw/zinc/13/43/12/1039134312.db2.gz GRNIBIWBEOXZEI-VLIAUNLRSA-N 1 2 338.451 3.997 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1CCC(F)(F)CC1 ZINC000644887551 1039149299 /nfs/dbraw/zinc/14/92/99/1039149299.db2.gz AOIUNMNYUYUWPU-MRXNPFEDSA-N 1 2 347.409 3.873 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000432781004 1039161097 /nfs/dbraw/zinc/16/10/97/1039161097.db2.gz PMUCKUCDXMVFOJ-CYBMUJFWSA-N 1 2 346.475 3.750 20 0 EHADLO Cc1ccccc1C1CC([N@H+](Cc2ncnn2CC(F)F)C2CC2)C1 ZINC000488442023 1039170240 /nfs/dbraw/zinc/17/02/40/1039170240.db2.gz MAANCGCGHYMPTM-UHFFFAOYSA-N 1 2 346.425 3.762 20 0 EHADLO Cc1ccccc1C1CC([N@@H+](Cc2ncnn2CC(F)F)C2CC2)C1 ZINC000488442023 1039170248 /nfs/dbraw/zinc/17/02/48/1039170248.db2.gz MAANCGCGHYMPTM-UHFFFAOYSA-N 1 2 346.425 3.762 20 0 EHADLO COc1cc(Br)c(C[N@H+]2CC=C(C)CC2)c(OC)c1 ZINC000552300392 1039172566 /nfs/dbraw/zinc/17/25/66/1039172566.db2.gz AOYAXTVKMDBIPA-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO COc1cc(Br)c(C[N@@H+]2CC=C(C)CC2)c(OC)c1 ZINC000552300392 1039172579 /nfs/dbraw/zinc/17/25/79/1039172579.db2.gz AOYAXTVKMDBIPA-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000660118954 1039209742 /nfs/dbraw/zinc/20/97/42/1039209742.db2.gz UUDCDGURBPIISZ-NFFDBFGFSA-N 1 2 339.888 3.536 20 0 EHADLO C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000660118954 1039209751 /nfs/dbraw/zinc/20/97/51/1039209751.db2.gz UUDCDGURBPIISZ-NFFDBFGFSA-N 1 2 339.888 3.536 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C(F)(F)F)nn1C)CCC2 ZINC000667630218 1039226580 /nfs/dbraw/zinc/22/65/80/1039226580.db2.gz ZACPFKLNQMYDKU-GFCCVEGCSA-N 1 2 344.406 3.713 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C(F)(F)F)nn1C)CCC2 ZINC000667630218 1039226599 /nfs/dbraw/zinc/22/65/99/1039226599.db2.gz ZACPFKLNQMYDKU-GFCCVEGCSA-N 1 2 344.406 3.713 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123414 1039251475 /nfs/dbraw/zinc/25/14/75/1039251475.db2.gz ATRAZMCCGVVMBL-KGLIPLIRSA-N 1 2 348.878 3.873 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123414 1039251488 /nfs/dbraw/zinc/25/14/88/1039251488.db2.gz ATRAZMCCGVVMBL-KGLIPLIRSA-N 1 2 348.878 3.873 20 0 EHADLO C[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)Cn1cc[nH+]c1 ZINC000155856251 1039320901 /nfs/dbraw/zinc/32/09/01/1039320901.db2.gz URQBPHSSCODDFB-HNNXBMFYSA-N 1 2 347.418 3.573 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554465513 1039367904 /nfs/dbraw/zinc/36/79/04/1039367904.db2.gz UGGDJOMUCZASOK-HZPDHXFCSA-N 1 2 341.459 3.664 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000552591023 1039384516 /nfs/dbraw/zinc/38/45/16/1039384516.db2.gz FBSBUJLKNTUVOV-INIZCTEOSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000552591023 1039384524 /nfs/dbraw/zinc/38/45/24/1039384524.db2.gz FBSBUJLKNTUVOV-INIZCTEOSA-N 1 2 344.499 3.554 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)CO1 ZINC000512479174 1039396319 /nfs/dbraw/zinc/39/63/19/1039396319.db2.gz FYSVYWSGAQTKKH-DNVCBOLYSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)CO1 ZINC000512479174 1039396333 /nfs/dbraw/zinc/39/63/33/1039396333.db2.gz FYSVYWSGAQTKKH-DNVCBOLYSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)CO1 ZINC000512479179 1039396938 /nfs/dbraw/zinc/39/69/38/1039396938.db2.gz FYSVYWSGAQTKKH-KXBFYZLASA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)CO1 ZINC000512479179 1039396955 /nfs/dbraw/zinc/39/69/55/1039396955.db2.gz FYSVYWSGAQTKKH-KXBFYZLASA-N 1 2 327.399 3.861 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)nn1 ZINC000906273103 1039429142 /nfs/dbraw/zinc/42/91/42/1039429142.db2.gz QVVSODWJGFBBMT-UZLBHIALSA-N 1 2 340.471 3.539 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)nn1 ZINC000906273103 1039429149 /nfs/dbraw/zinc/42/91/49/1039429149.db2.gz QVVSODWJGFBBMT-UZLBHIALSA-N 1 2 340.471 3.539 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@H](c3ncccc3C)C(C)C)nn2)cc1 ZINC000906276812 1039432388 /nfs/dbraw/zinc/43/23/88/1039432388.db2.gz OUTIHICCCXDLKA-IBGZPJMESA-N 1 2 335.455 3.766 20 0 EHADLO c1c(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)onc1C1CC1 ZINC000660160959 1039444358 /nfs/dbraw/zinc/44/43/58/1039444358.db2.gz DRAUPRIQILLMKC-UHFFFAOYSA-N 1 2 348.450 3.550 20 0 EHADLO c1c(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)nnn1C1CC1 ZINC000906266099 1039448558 /nfs/dbraw/zinc/44/85/58/1039448558.db2.gz LNQGNAIKYXPJCP-OAQYLSRUSA-N 1 2 330.435 3.761 20 0 EHADLO c1c(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)nnn1C1CC1 ZINC000906266099 1039448566 /nfs/dbraw/zinc/44/85/66/1039448566.db2.gz LNQGNAIKYXPJCP-OAQYLSRUSA-N 1 2 330.435 3.761 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700723 1039449236 /nfs/dbraw/zinc/44/92/36/1039449236.db2.gz ZLKANCYAILDRIK-STQMWFEESA-N 1 2 325.733 3.757 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1)C(F)(F)F ZINC000485700723 1039449241 /nfs/dbraw/zinc/44/92/41/1039449241.db2.gz ZLKANCYAILDRIK-STQMWFEESA-N 1 2 325.733 3.757 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cn(-c2ccc(C)cc2)nn1 ZINC000906287842 1039450892 /nfs/dbraw/zinc/45/08/92/1039450892.db2.gz FBRQYOBBNYZEDD-INIZCTEOSA-N 1 2 336.439 3.744 20 0 EHADLO COC(=O)[C@H](C)c1cccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000417132749 1039453287 /nfs/dbraw/zinc/45/32/87/1039453287.db2.gz ANLLLSQMXDUPIR-CYBMUJFWSA-N 1 2 341.411 3.927 20 0 EHADLO CC1(C)CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC(C)(C)C1 ZINC000554542788 1039462207 /nfs/dbraw/zinc/46/22/07/1039462207.db2.gz QQNMKEYFRCVVAD-UHFFFAOYSA-N 1 2 341.459 3.616 20 0 EHADLO COc1cc(NC(=O)Nc2cc(C)[nH+]cc2C)cc(OC)c1C(C)C ZINC000554544991 1039463422 /nfs/dbraw/zinc/46/34/22/1039463422.db2.gz CNMYPQDOTLQQMD-UHFFFAOYSA-N 1 2 343.427 3.905 20 0 EHADLO OCC[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000660160734 1039463866 /nfs/dbraw/zinc/46/38/66/1039463866.db2.gz WKWMOHPMFCKAND-UHFFFAOYSA-N 1 2 341.238 3.853 20 0 EHADLO OCC[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000660160734 1039463881 /nfs/dbraw/zinc/46/38/81/1039463881.db2.gz WKWMOHPMFCKAND-UHFFFAOYSA-N 1 2 341.238 3.853 20 0 EHADLO Brc1cnc(C2([NH2+][C@@H]3CCc4ccccc43)CCC2)nc1 ZINC000927146321 1039498516 /nfs/dbraw/zinc/49/85/16/1039498516.db2.gz VHEKGXCHYRYOET-OAHLLOKOSA-N 1 2 344.256 3.895 20 0 EHADLO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000488959562 1039503738 /nfs/dbraw/zinc/50/37/38/1039503738.db2.gz CNKSCMUFMKOSMB-LJQANCHMSA-N 1 2 335.407 3.977 20 0 EHADLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC1(C)C ZINC000488944560 1039506613 /nfs/dbraw/zinc/50/66/13/1039506613.db2.gz AZMPLOCUYQHABE-QGZVFWFLSA-N 1 2 336.439 3.864 20 0 EHADLO CCSc1ccccc1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000930759114 1039516812 /nfs/dbraw/zinc/51/68/12/1039516812.db2.gz JEHFQOKKHOPLFR-LLVKDONJSA-N 1 2 336.482 3.893 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432850324 1039544090 /nfs/dbraw/zinc/54/40/90/1039544090.db2.gz FOFKRHKVDKXIGN-HNNXBMFYSA-N 1 2 330.476 3.988 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc(C4CC4)cc3F)ccc2[nH+]1 ZINC000432855861 1039560237 /nfs/dbraw/zinc/56/02/37/1039560237.db2.gz UJNFHHMYHJZHJY-UHFFFAOYSA-N 1 2 338.386 3.981 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(C)oc2C)cc1Br ZINC000660175901 1039596238 /nfs/dbraw/zinc/59/62/38/1039596238.db2.gz RCQUNJFQLVNVIH-VIFPVBQESA-N 1 2 339.233 3.913 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccsc2)O1 ZINC000667680630 1039597508 /nfs/dbraw/zinc/59/75/08/1039597508.db2.gz MJVAKHFRDCNJGN-FZKQIMNGSA-N 1 2 331.485 3.711 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)C[C@H](c2ccsc2)O1 ZINC000667680630 1039597521 /nfs/dbraw/zinc/59/75/21/1039597521.db2.gz MJVAKHFRDCNJGN-FZKQIMNGSA-N 1 2 331.485 3.711 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2scnc2C(F)F)n1 ZINC000911963383 1039612118 /nfs/dbraw/zinc/61/21/18/1039612118.db2.gz KONYCYSWFGIRAB-UHFFFAOYSA-N 1 2 346.428 3.631 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000552923640 1039639828 /nfs/dbraw/zinc/63/98/28/1039639828.db2.gz SEEUGTSYWKEKKI-ZANVPECISA-N 1 2 330.375 3.855 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000279955229 1039652811 /nfs/dbraw/zinc/65/28/11/1039652811.db2.gz PHTPJCLWWRXUAU-MLGOLLRUSA-N 1 2 344.846 3.532 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000912046848 1039661835 /nfs/dbraw/zinc/66/18/35/1039661835.db2.gz AIOYMPNLIQIGFB-AWEZNQCLSA-N 1 2 348.397 3.621 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC000912046848 1039661845 /nfs/dbraw/zinc/66/18/45/1039661845.db2.gz AIOYMPNLIQIGFB-AWEZNQCLSA-N 1 2 348.397 3.621 20 0 EHADLO CC(C)(CNC(=O)CCCc1ccc(C2CC2)cc1)n1cc[nH+]c1 ZINC000898913036 1039704636 /nfs/dbraw/zinc/70/46/36/1039704636.db2.gz WCVVWQWXIVUDFD-UHFFFAOYSA-N 1 2 325.456 3.635 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ccn(C4CCCC4)n3)[nH+]cn2)C1 ZINC000154752934 1039712057 /nfs/dbraw/zinc/71/20/57/1039712057.db2.gz ZJVQRKNWRGCWJA-HNNXBMFYSA-N 1 2 340.475 3.637 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ccn(C4CCCC4)n3)nc[nH+]2)C1 ZINC000154752934 1039712073 /nfs/dbraw/zinc/71/20/73/1039712073.db2.gz ZJVQRKNWRGCWJA-HNNXBMFYSA-N 1 2 340.475 3.637 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000660199154 1039716937 /nfs/dbraw/zinc/71/69/37/1039716937.db2.gz CRFPSKOBWKENAQ-VXGBXAGGSA-N 1 2 332.423 3.707 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000667413042 1039766382 /nfs/dbraw/zinc/76/63/82/1039766382.db2.gz RQLOCNWNHNXHGD-UHFFFAOYSA-N 1 2 334.420 3.682 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000667413042 1039766398 /nfs/dbraw/zinc/76/63/98/1039766398.db2.gz RQLOCNWNHNXHGD-UHFFFAOYSA-N 1 2 334.420 3.682 20 0 EHADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000906803901 1039767143 /nfs/dbraw/zinc/76/71/43/1039767143.db2.gz VNDWVUPKFKZJPL-RDTXWAMCSA-N 1 2 342.414 3.748 20 0 EHADLO Cc1cnc(CC[N@@H+]2CCn3c(C4CCCC4)nnc3[C@H]2C)c(C)c1 ZINC000584777065 1039791956 /nfs/dbraw/zinc/79/19/56/1039791956.db2.gz MIGOYEHXRAQWKF-MRXNPFEDSA-N 1 2 339.487 3.567 20 0 EHADLO Cc1cnc(CC[N@H+]2CCn3c(C4CCCC4)nnc3[C@H]2C)c(C)c1 ZINC000584777065 1039791971 /nfs/dbraw/zinc/79/19/71/1039791971.db2.gz MIGOYEHXRAQWKF-MRXNPFEDSA-N 1 2 339.487 3.567 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H]2SCCc3ccccc32)c(C)[nH+]1 ZINC000906914203 1039809980 /nfs/dbraw/zinc/80/99/80/1039809980.db2.gz KVHBPFCOSOBHHO-KRWDZBQOSA-N 1 2 326.465 3.767 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c(C)[nH+]1 ZINC000912384894 1039843210 /nfs/dbraw/zinc/84/32/10/1039843210.db2.gz NVVBDWIJFZLXLY-AWEZNQCLSA-N 1 2 344.377 3.627 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(C)s2)cc1Cl ZINC000893934430 1039848318 /nfs/dbraw/zinc/84/83/18/1039848318.db2.gz ZWMMRPVQXIPVEF-UHFFFAOYSA-N 1 2 325.865 3.969 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000364120913 1039853336 /nfs/dbraw/zinc/85/33/36/1039853336.db2.gz RHVLDZSJFICLFW-SFHVURJKSA-N 1 2 342.830 3.984 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000364120913 1039853359 /nfs/dbraw/zinc/85/33/59/1039853359.db2.gz RHVLDZSJFICLFW-SFHVURJKSA-N 1 2 342.830 3.984 20 0 EHADLO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000893946409 1039868911 /nfs/dbraw/zinc/86/89/11/1039868911.db2.gz NZAXQTJFIHKEME-QGZVFWFLSA-N 1 2 339.395 3.588 20 0 EHADLO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000893946409 1039868941 /nfs/dbraw/zinc/86/89/41/1039868941.db2.gz NZAXQTJFIHKEME-QGZVFWFLSA-N 1 2 339.395 3.588 20 0 EHADLO Cc1nc(C2CC2)ccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990832 1039925052 /nfs/dbraw/zinc/92/50/52/1039925052.db2.gz JWIWYKXEYHWWCD-HXUWFJFHSA-N 1 2 346.434 3.635 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc(CC(F)(F)F)s2)[nH]1 ZINC000894008103 1039947898 /nfs/dbraw/zinc/94/78/98/1039947898.db2.gz LPFCKARRMGCVSI-RKDXNWHRSA-N 1 2 347.410 3.730 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000479106026 1039972503 /nfs/dbraw/zinc/97/25/03/1039972503.db2.gz UUJDJUUMESKNBC-HNNXBMFYSA-N 1 2 332.806 3.735 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000479106026 1039972514 /nfs/dbraw/zinc/97/25/14/1039972514.db2.gz UUJDJUUMESKNBC-HNNXBMFYSA-N 1 2 332.806 3.735 20 0 EHADLO Fc1ccc([C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000480780574 1040002924 /nfs/dbraw/zinc/00/29/24/1040002924.db2.gz QZCVTEUELGOZCN-MRXNPFEDSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1ccc([C@@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000480780574 1040002937 /nfs/dbraw/zinc/00/29/37/1040002937.db2.gz QZCVTEUELGOZCN-MRXNPFEDSA-N 1 2 326.419 3.600 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000907342732 1040009815 /nfs/dbraw/zinc/00/98/15/1040009815.db2.gz OJEMJJRWXHFQLX-AWEZNQCLSA-N 1 2 349.356 3.528 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1cc2ccccc2o1 ZINC000554971754 1040015487 /nfs/dbraw/zinc/01/54/87/1040015487.db2.gz AERGWOFFKBEHPT-UHFFFAOYSA-N 1 2 345.402 3.537 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000894077734 1040060155 /nfs/dbraw/zinc/06/01/55/1040060155.db2.gz WJPAVFOIUARMFQ-OAHLLOKOSA-N 1 2 348.491 3.507 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000894077734 1040060172 /nfs/dbraw/zinc/06/01/72/1040060172.db2.gz WJPAVFOIUARMFQ-OAHLLOKOSA-N 1 2 348.491 3.507 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000584853090 1040107493 /nfs/dbraw/zinc/10/74/93/1040107493.db2.gz VTWPDUOPGSCGEI-LBPRGKRZSA-N 1 2 349.805 3.951 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000584853090 1040107501 /nfs/dbraw/zinc/10/75/01/1040107501.db2.gz VTWPDUOPGSCGEI-LBPRGKRZSA-N 1 2 349.805 3.951 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC000188913927 1040114821 /nfs/dbraw/zinc/11/48/21/1040114821.db2.gz GZGNXLFZKZOSRX-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC000188913927 1040114831 /nfs/dbraw/zinc/11/48/31/1040114831.db2.gz GZGNXLFZKZOSRX-HZPDHXFCSA-N 1 2 336.794 3.556 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000667463319 1040122187 /nfs/dbraw/zinc/12/21/87/1040122187.db2.gz JHGPCBIPYNZUPS-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000667463319 1040122196 /nfs/dbraw/zinc/12/21/96/1040122196.db2.gz JHGPCBIPYNZUPS-UHFFFAOYSA-N 1 2 327.325 3.743 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 ZINC000480881113 1040126596 /nfs/dbraw/zinc/12/65/96/1040126596.db2.gz QOVYFALRVHWZIQ-UHFFFAOYSA-N 1 2 344.499 3.537 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 ZINC000480881113 1040126605 /nfs/dbraw/zinc/12/66/05/1040126605.db2.gz QOVYFALRVHWZIQ-UHFFFAOYSA-N 1 2 344.499 3.537 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)nn1 ZINC000924860825 1040137500 /nfs/dbraw/zinc/13/75/00/1040137500.db2.gz HFKYAFUZUFKMMJ-JTQLQIEISA-N 1 2 341.228 3.611 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814805 1040180835 /nfs/dbraw/zinc/18/08/35/1040180835.db2.gz GVJJVYNDSZTOQM-PMPSAXMXSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814805 1040180839 /nfs/dbraw/zinc/18/08/39/1040180839.db2.gz GVJJVYNDSZTOQM-PMPSAXMXSA-N 1 2 329.488 3.723 20 0 EHADLO COc1sc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000668626223 1040182131 /nfs/dbraw/zinc/18/21/31/1040182131.db2.gz UXNVAAPDTBVDSO-ZJUUUORDSA-N 1 2 334.279 3.519 20 0 EHADLO COc1sc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000668626223 1040182142 /nfs/dbraw/zinc/18/21/42/1040182142.db2.gz UXNVAAPDTBVDSO-ZJUUUORDSA-N 1 2 334.279 3.519 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCC1 ZINC000907815993 1040183953 /nfs/dbraw/zinc/18/39/53/1040183953.db2.gz QBSXJEFQFMNDML-BBRMVZONSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCC1 ZINC000907815993 1040183960 /nfs/dbraw/zinc/18/39/60/1040183960.db2.gz QBSXJEFQFMNDML-BBRMVZONSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000907816300 1040184658 /nfs/dbraw/zinc/18/46/58/1040184658.db2.gz SCKFSCGBHPOQRE-BBRMVZONSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000907816300 1040184673 /nfs/dbraw/zinc/18/46/73/1040184673.db2.gz SCKFSCGBHPOQRE-BBRMVZONSA-N 1 2 329.488 3.867 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nonc2C)ccc1OCC(C)C ZINC000924814928 1040190061 /nfs/dbraw/zinc/19/00/61/1040190061.db2.gz MZOOQKJDVDZWLZ-OLZOCXBDSA-N 1 2 333.432 3.833 20 0 EHADLO Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1C ZINC000156705034 1040190632 /nfs/dbraw/zinc/19/06/32/1040190632.db2.gz DVZUFGCDDHUFBY-UHFFFAOYSA-N 1 2 348.328 3.706 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000899229474 1040193836 /nfs/dbraw/zinc/19/38/36/1040193836.db2.gz VWLZFLZPTGSPHM-UWJYYQICSA-N 1 2 343.430 3.876 20 0 EHADLO COc1ccccc1CC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000432933234 1040211722 /nfs/dbraw/zinc/21/17/22/1040211722.db2.gz MIECZYBIXTVPLS-UHFFFAOYSA-N 1 2 342.487 3.566 20 0 EHADLO CCn1c[nH+]cc1CN(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000417751770 1040213890 /nfs/dbraw/zinc/21/38/90/1040213890.db2.gz HUDTUUAUKMVHMC-UHFFFAOYSA-N 1 2 337.471 3.646 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667492927 1040263332 /nfs/dbraw/zinc/26/33/32/1040263332.db2.gz AMXCHCARZAUXOX-SECBINFHSA-N 1 2 333.304 3.910 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667492927 1040263353 /nfs/dbraw/zinc/26/33/53/1040263353.db2.gz AMXCHCARZAUXOX-SECBINFHSA-N 1 2 333.304 3.910 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1nc(C(F)(F)F)cs1 ZINC000894100446 1040266049 /nfs/dbraw/zinc/26/60/49/1040266049.db2.gz GXFSSMRQYWKEIB-MRVPVSSYSA-N 1 2 330.379 3.624 20 0 EHADLO O=C(C[C@@H]1CCCc2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553639383 1040267001 /nfs/dbraw/zinc/26/70/01/1040267001.db2.gz BSQAQMLSXMLSCQ-SFHVURJKSA-N 1 2 346.434 3.775 20 0 EHADLO CC(C)(C)c1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000555193184 1040267580 /nfs/dbraw/zinc/26/75/80/1040267580.db2.gz AMNGZWFNFVDDNI-UHFFFAOYSA-N 1 2 327.476 3.667 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2c(F)cccc2N2CCCC2)c(C)[nH+]1 ZINC000908117509 1040297805 /nfs/dbraw/zinc/29/78/05/1040297805.db2.gz DXRHABMAIRVPQD-UHFFFAOYSA-N 1 2 341.430 3.676 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000490019102 1040310311 /nfs/dbraw/zinc/31/03/11/1040310311.db2.gz NJYVJEGDWIMQLU-USXIJHARSA-N 1 2 325.456 3.625 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3nccc4ccccc43)cc2)CC1 ZINC000894101575 1040315317 /nfs/dbraw/zinc/31/53/17/1040315317.db2.gz BIRFTNRJTMJYJF-UHFFFAOYSA-N 1 2 333.435 3.808 20 0 EHADLO CCC[N@H+](Cc1cc(OC)ccn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490076360 1040336639 /nfs/dbraw/zinc/33/66/39/1040336639.db2.gz AMXOFGMOLVHZAI-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO CCC[N@@H+](Cc1cc(OC)ccn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490076360 1040336654 /nfs/dbraw/zinc/33/66/54/1040336654.db2.gz AMXOFGMOLVHZAI-MRXNPFEDSA-N 1 2 341.455 3.638 20 0 EHADLO COc1ccccc1O[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663909947 1040370494 /nfs/dbraw/zinc/37/04/94/1040370494.db2.gz TWXYWSXCYWGCJY-HNNXBMFYSA-N 1 2 349.434 3.873 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCCN(c2ccccc2F)CC1 ZINC000663908806 1040375578 /nfs/dbraw/zinc/37/55/78/1040375578.db2.gz FGADYLQTLQRKCK-UHFFFAOYSA-N 1 2 336.414 3.673 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(F)cc(Cl)c1 ZINC000486736274 1040384714 /nfs/dbraw/zinc/38/47/14/1040384714.db2.gz IOFFNLFDNYNOKZ-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000479616867 1040447335 /nfs/dbraw/zinc/44/73/35/1040447335.db2.gz OUGXUIMXLYCURT-CYBMUJFWSA-N 1 2 348.516 3.949 20 0 EHADLO CC1=C(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000479616867 1040447338 /nfs/dbraw/zinc/44/73/38/1040447338.db2.gz OUGXUIMXLYCURT-CYBMUJFWSA-N 1 2 348.516 3.949 20 0 EHADLO COC1(CC[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000555336874 1040456822 /nfs/dbraw/zinc/45/68/22/1040456822.db2.gz IJTYBRHNORRZCZ-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(CC[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCC1 ZINC000555336874 1040456828 /nfs/dbraw/zinc/45/68/28/1040456828.db2.gz IJTYBRHNORRZCZ-INIZCTEOSA-N 1 2 327.827 3.812 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1OCCC(C)C ZINC000669052580 1040494836 /nfs/dbraw/zinc/49/48/36/1040494836.db2.gz HIJTTZGPDIOXSD-IAGOWNOFSA-N 1 2 341.455 3.896 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030480 1040501162 /nfs/dbraw/zinc/50/11/62/1040501162.db2.gz WFBWILSLVIXRSA-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030480 1040501177 /nfs/dbraw/zinc/50/11/77/1040501177.db2.gz WFBWILSLVIXRSA-HJPURHCSSA-N 1 2 329.465 3.822 20 0 EHADLO CCCn1nccc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000667533132 1040504166 /nfs/dbraw/zinc/50/41/66/1040504166.db2.gz HADSTBGAQUSKFQ-UHFFFAOYSA-N 1 2 347.409 3.666 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(C)[nH+]1 ZINC000912982921 1040504594 /nfs/dbraw/zinc/50/45/94/1040504594.db2.gz UWRQYWHYBJUCQB-BPQIPLTHSA-N 1 2 326.827 3.728 20 0 EHADLO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3nccs3)C2=O)c(C)c1 ZINC000190962243 1040514909 /nfs/dbraw/zinc/51/49/09/1040514909.db2.gz HSPCPXUPMFOJKD-CABCVRRESA-N 1 2 329.469 3.524 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000600052279 1040553914 /nfs/dbraw/zinc/55/39/14/1040553914.db2.gz BUVZKIGLYQHFOT-INIZCTEOSA-N 1 2 340.492 3.547 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@H+]2Cc2ccn(C(F)F)n2)c1 ZINC000418092266 1040568921 /nfs/dbraw/zinc/56/89/21/1040568921.db2.gz HKVOINLSJGOWRK-AWEZNQCLSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@@H+]2Cc2ccn(C(F)F)n2)c1 ZINC000418092266 1040568938 /nfs/dbraw/zinc/56/89/38/1040568938.db2.gz HKVOINLSJGOWRK-AWEZNQCLSA-N 1 2 327.325 3.764 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261644 1040570680 /nfs/dbraw/zinc/57/06/80/1040570680.db2.gz VLIZGBAHXWRVCJ-UWJYYQICSA-N 1 2 339.483 3.826 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481261644 1040570692 /nfs/dbraw/zinc/57/06/92/1040570692.db2.gz VLIZGBAHXWRVCJ-UWJYYQICSA-N 1 2 339.483 3.826 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000827985325 1040599946 /nfs/dbraw/zinc/59/99/46/1040599946.db2.gz IZKFAYHZILUDFR-SJLPKXTDSA-N 1 2 329.488 3.653 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c(C)[nH+]1 ZINC000411220538 1040600295 /nfs/dbraw/zinc/60/02/95/1040600295.db2.gz LVSRZOOTLDHORX-SJORKVTESA-N 1 2 345.487 3.666 20 0 EHADLO C[C@H]1CC(F)(F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000913158923 1040603628 /nfs/dbraw/zinc/60/36/28/1040603628.db2.gz LTANFBVCZVIBQG-ZDUSSCGKSA-N 1 2 331.366 3.507 20 0 EHADLO Cc1nc(NC[C@@H]2CCOC3(CCC3)C2)c(Br)c(C)[nH+]1 ZINC000663966214 1040648255 /nfs/dbraw/zinc/64/82/55/1040648255.db2.gz SMJTWJLQBBCOJB-GFCCVEGCSA-N 1 2 340.265 3.617 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)n1 ZINC000600110182 1040660472 /nfs/dbraw/zinc/66/04/72/1040660472.db2.gz XPLOZZIDLOHTRA-LBPRGKRZSA-N 1 2 334.366 3.730 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)n1 ZINC000600110182 1040660483 /nfs/dbraw/zinc/66/04/83/1040660483.db2.gz XPLOZZIDLOHTRA-LBPRGKRZSA-N 1 2 334.366 3.730 20 0 EHADLO O=C(C/C=C\c1cccc(F)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000487029659 1040662619 /nfs/dbraw/zinc/66/26/19/1040662619.db2.gz DHGNCNQAAJODJR-HYXAFXHYSA-N 1 2 335.382 3.731 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000481300758 1040663114 /nfs/dbraw/zinc/66/31/14/1040663114.db2.gz LXEASUJPHXFGGI-SFHVURJKSA-N 1 2 345.874 3.962 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000481300758 1040663120 /nfs/dbraw/zinc/66/31/20/1040663120.db2.gz LXEASUJPHXFGGI-SFHVURJKSA-N 1 2 345.874 3.962 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000500232996 1040766594 /nfs/dbraw/zinc/76/65/94/1040766594.db2.gz QBCGIEJBSMCMHQ-QGZVFWFLSA-N 1 2 342.487 3.947 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1CC[C@H]1CCc2ccccc21)c1ccco1 ZINC000660363954 1040770259 /nfs/dbraw/zinc/77/02/59/1040770259.db2.gz AELWSKWYVQGFRC-MSOLQXFVSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1CC[C@H]1CCc2ccccc21)c1ccco1 ZINC000660363954 1040770272 /nfs/dbraw/zinc/77/02/72/1040770272.db2.gz AELWSKWYVQGFRC-MSOLQXFVSA-N 1 2 339.435 3.673 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc2cccnc21 ZINC000160831928 1040836706 /nfs/dbraw/zinc/83/67/06/1040836706.db2.gz HCEHVRKUGUTVJU-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000364343767 1040917980 /nfs/dbraw/zinc/91/79/80/1040917980.db2.gz ZWIUKATXIFAYCD-UHFFFAOYSA-N 1 2 343.496 3.915 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000364343767 1040917998 /nfs/dbraw/zinc/91/79/98/1040917998.db2.gz ZWIUKATXIFAYCD-UHFFFAOYSA-N 1 2 343.496 3.915 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000512791328 1040941716 /nfs/dbraw/zinc/94/17/16/1040941716.db2.gz AOALDFOXBQVTAC-UHFFFAOYSA-N 1 2 340.467 3.709 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000512791328 1040941735 /nfs/dbraw/zinc/94/17/35/1040941735.db2.gz AOALDFOXBQVTAC-UHFFFAOYSA-N 1 2 340.467 3.709 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000614289663 1040942221 /nfs/dbraw/zinc/94/22/21/1040942221.db2.gz HEMWFBFLVAADHQ-IAGOWNOFSA-N 1 2 343.858 3.583 20 0 EHADLO CCc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000652032937 1040985503 /nfs/dbraw/zinc/98/55/03/1040985503.db2.gz OGTBTFZPOGVOCZ-UHFFFAOYSA-N 1 2 337.872 3.596 20 0 EHADLO Cc1[nH+]c2cc(OCc3cnc4c(cnn4C(C)C)c3)ccc2n1C ZINC000664046612 1040986507 /nfs/dbraw/zinc/98/65/07/1040986507.db2.gz ISAZFTQPLXVAGF-UHFFFAOYSA-N 1 2 335.411 3.786 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1nn(C)cc1Br ZINC000433180259 1041008615 /nfs/dbraw/zinc/00/86/15/1041008615.db2.gz IXOVNZGYRFMOTE-HIFRSBDPSA-N 1 2 348.288 3.951 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nn(C)cc1Br ZINC000433180259 1041008624 /nfs/dbraw/zinc/00/86/24/1041008624.db2.gz IXOVNZGYRFMOTE-HIFRSBDPSA-N 1 2 348.288 3.951 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487659692 1041015976 /nfs/dbraw/zinc/01/59/76/1041015976.db2.gz VPUWLRVOGWAPEQ-MSOLQXFVSA-N 1 2 338.455 3.519 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)nnn1-c1ccc(F)cc1 ZINC000481537397 1041033948 /nfs/dbraw/zinc/03/39/48/1041033948.db2.gz VLUWKGRUTVEELM-LLVKDONJSA-N 1 2 346.356 3.844 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000586817947 1041040083 /nfs/dbraw/zinc/04/00/83/1041040083.db2.gz CMTHNQASJCMRMX-UHFFFAOYSA-N 1 2 327.359 3.554 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2COCC2(C)C)c1 ZINC000894129226 1041051325 /nfs/dbraw/zinc/05/13/25/1041051325.db2.gz VXYOBOXCKVLHNB-KRWDZBQOSA-N 1 2 331.485 3.612 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2COCC2(C)C)c1 ZINC000894129226 1041051342 /nfs/dbraw/zinc/05/13/42/1041051342.db2.gz VXYOBOXCKVLHNB-KRWDZBQOSA-N 1 2 331.485 3.612 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278393 1041056229 /nfs/dbraw/zinc/05/62/29/1041056229.db2.gz HJQRPAVHJNDRBQ-HNAYVOBHSA-N 1 2 344.455 3.662 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000343866118 1041064326 /nfs/dbraw/zinc/06/43/26/1041064326.db2.gz SPVXKZJAODBGKZ-PWSUYJOCSA-N 1 2 330.375 3.936 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487715900 1041081799 /nfs/dbraw/zinc/08/17/99/1041081799.db2.gz DPTRZBDCYOLCBQ-RBUKOAKNSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1nc(C[N@H+](C)CC(c2ccc(F)cc2)c2ccc(F)cc2)no1 ZINC000668797390 1041099708 /nfs/dbraw/zinc/09/97/08/1041099708.db2.gz ALQTVTOJICUVFX-UHFFFAOYSA-N 1 2 343.377 3.920 20 0 EHADLO Cc1nc(C[N@@H+](C)CC(c2ccc(F)cc2)c2ccc(F)cc2)no1 ZINC000668797390 1041099721 /nfs/dbraw/zinc/09/97/21/1041099721.db2.gz ALQTVTOJICUVFX-UHFFFAOYSA-N 1 2 343.377 3.920 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239461 1041115421 /nfs/dbraw/zinc/11/54/21/1041115421.db2.gz GYJIQXJSIMBOIV-UHFFFAOYSA-N 1 2 334.822 3.570 20 0 EHADLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239461 1041115426 /nfs/dbraw/zinc/11/54/26/1041115426.db2.gz GYJIQXJSIMBOIV-UHFFFAOYSA-N 1 2 334.822 3.570 20 0 EHADLO CCCCC[C@@H]1CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000487794018 1041121349 /nfs/dbraw/zinc/12/13/49/1041121349.db2.gz BYFFYDNBQYUWDM-QGZVFWFLSA-N 1 2 332.492 3.516 20 0 EHADLO CC(C)C[C@H](C[N@@H+]1CCn2c(nnc2C(F)F)C1)c1ccccc1 ZINC000668799034 1041124645 /nfs/dbraw/zinc/12/46/45/1041124645.db2.gz OXFCXQQJTNPEBB-OAHLLOKOSA-N 1 2 334.414 3.861 20 0 EHADLO CC(C)C[C@H](C[N@H+]1CCn2c(nnc2C(F)F)C1)c1ccccc1 ZINC000668799034 1041124662 /nfs/dbraw/zinc/12/46/62/1041124662.db2.gz OXFCXQQJTNPEBB-OAHLLOKOSA-N 1 2 334.414 3.861 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000509824931 1041127168 /nfs/dbraw/zinc/12/71/68/1041127168.db2.gz AZVYEINCNSZVEP-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000509824931 1041127175 /nfs/dbraw/zinc/12/71/75/1041127175.db2.gz AZVYEINCNSZVEP-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO COCc1nc(C[N@@H+]2CCCCC[C@H]2Cc2ccccc2Cl)no1 ZINC000645199636 1041169645 /nfs/dbraw/zinc/16/96/45/1041169645.db2.gz ZRWNPXKSIBKXDK-HNNXBMFYSA-N 1 2 349.862 3.857 20 0 EHADLO COCc1nc(C[N@H+]2CCCCC[C@H]2Cc2ccccc2Cl)no1 ZINC000645199636 1041169654 /nfs/dbraw/zinc/16/96/54/1041169654.db2.gz ZRWNPXKSIBKXDK-HNNXBMFYSA-N 1 2 349.862 3.857 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2c(F)ccc(F)c2C1)c1ccc(Cl)c(F)c1 ZINC000759856145 1041176784 /nfs/dbraw/zinc/17/67/84/1041176784.db2.gz WOKDNECCRAZGGI-KRWDZBQOSA-N 1 2 341.760 3.849 20 0 EHADLO O[C@@H](C[N@H+]1CCc2c(F)ccc(F)c2C1)c1ccc(Cl)c(F)c1 ZINC000759856145 1041176790 /nfs/dbraw/zinc/17/67/90/1041176790.db2.gz WOKDNECCRAZGGI-KRWDZBQOSA-N 1 2 341.760 3.849 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cs1 ZINC000433286271 1041222939 /nfs/dbraw/zinc/22/29/39/1041222939.db2.gz JDVVLBQOXADONH-CYBMUJFWSA-N 1 2 335.860 3.744 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cs1 ZINC000433286271 1041222955 /nfs/dbraw/zinc/22/29/55/1041222955.db2.gz JDVVLBQOXADONH-CYBMUJFWSA-N 1 2 335.860 3.744 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296072491 1041228341 /nfs/dbraw/zinc/22/83/41/1041228341.db2.gz PVYYXOICEMOSDN-KXBFYZLASA-N 1 2 329.465 3.673 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296072491 1041228352 /nfs/dbraw/zinc/22/83/52/1041228352.db2.gz PVYYXOICEMOSDN-KXBFYZLASA-N 1 2 329.465 3.673 20 0 EHADLO CC(C)[C@H](C)N(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000433300631 1041240035 /nfs/dbraw/zinc/24/00/35/1041240035.db2.gz TYDRSSLPSZELFD-INIZCTEOSA-N 1 2 325.456 3.509 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@]1=O ZINC000759873066 1041259415 /nfs/dbraw/zinc/25/94/15/1041259415.db2.gz ACYPOSCGOYPTON-WIUDPPPLSA-N 1 2 337.432 3.641 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@]1=O ZINC000759873066 1041259429 /nfs/dbraw/zinc/25/94/29/1041259429.db2.gz ACYPOSCGOYPTON-WIUDPPPLSA-N 1 2 337.432 3.641 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000555878851 1041288719 /nfs/dbraw/zinc/28/87/19/1041288719.db2.gz OHWMJJYELIHHRP-UHFFFAOYSA-N 1 2 335.451 3.735 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c(C)c1 ZINC000555878851 1041288731 /nfs/dbraw/zinc/28/87/31/1041288731.db2.gz OHWMJJYELIHHRP-UHFFFAOYSA-N 1 2 335.451 3.735 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000665838124 1041321827 /nfs/dbraw/zinc/32/18/27/1041321827.db2.gz QPAGJBXVGKHAKD-UHFFFAOYSA-N 1 2 339.361 3.526 20 0 EHADLO C[N@H+](CCn1cccn1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000111282403 1041552471 /nfs/dbraw/zinc/55/24/71/1041552471.db2.gz MZXHOWWEXPBBNE-UHFFFAOYSA-N 1 2 346.887 3.716 20 0 EHADLO C[N@@H+](CCn1cccn1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000111282403 1041552478 /nfs/dbraw/zinc/55/24/78/1041552478.db2.gz MZXHOWWEXPBBNE-UHFFFAOYSA-N 1 2 346.887 3.716 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000660495122 1041569416 /nfs/dbraw/zinc/56/94/16/1041569416.db2.gz DHJKXIJZLBVPFM-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000660495122 1041569422 /nfs/dbraw/zinc/56/94/22/1041569422.db2.gz DHJKXIJZLBVPFM-AWEZNQCLSA-N 1 2 345.668 3.500 20 0 EHADLO O=C(c1cc2ccc(F)cc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590732125 1041576423 /nfs/dbraw/zinc/57/64/23/1041576423.db2.gz CLMFDBZRIQVEJC-CQSZACIVSA-N 1 2 329.400 3.714 20 0 EHADLO Cc1cc(CNc2ccn(-c3ncccc3F)n2)c2c([nH+]1)CCCC2 ZINC000893387364 1041588072 /nfs/dbraw/zinc/58/80/72/1041588072.db2.gz JJSWHZFOTQERJA-UHFFFAOYSA-N 1 2 337.402 3.601 20 0 EHADLO Cc1nc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000660672066 1041765408 /nfs/dbraw/zinc/76/54/08/1041765408.db2.gz OZIJNYNBOHWFOA-AWEZNQCLSA-N 1 2 328.334 3.524 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2ncc(Br)cc2Cl)cn1 ZINC000660741787 1041794939 /nfs/dbraw/zinc/79/49/39/1041794939.db2.gz SGKZDKCJAAHAOL-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccccc1F ZINC000301398940 1041815139 /nfs/dbraw/zinc/81/51/39/1041815139.db2.gz LPTCQSJUNPKBGN-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1F ZINC000301398940 1041815145 /nfs/dbraw/zinc/81/51/45/1041815145.db2.gz LPTCQSJUNPKBGN-OAHLLOKOSA-N 1 2 326.415 3.625 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533515 1041869245 /nfs/dbraw/zinc/86/92/45/1041869245.db2.gz QEPBSBHTKLZGNH-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551815 1041936899 /nfs/dbraw/zinc/93/68/99/1041936899.db2.gz PIQHWCOMGFZBRB-MRXNPFEDSA-N 1 2 339.439 3.751 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000796648574 1041951095 /nfs/dbraw/zinc/95/10/95/1041951095.db2.gz GCOYYAXEEZYLGO-MXWKQRLJSA-N 1 2 342.377 3.510 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000661161988 1041975361 /nfs/dbraw/zinc/97/53/61/1041975361.db2.gz DXYCEJJKMRRPKH-AWEZNQCLSA-N 1 2 340.423 3.689 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc2cnccc2o1)c1nc(-c2ccncc2)no1 ZINC000651751231 1041999721 /nfs/dbraw/zinc/99/97/21/1041999721.db2.gz PTSOMSVBHLYJDG-KRWDZBQOSA-N 1 2 349.394 3.760 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1CCC2)c1nc(Cc2ccccc2)no1 ZINC000651784879 1042027573 /nfs/dbraw/zinc/02/75/73/1042027573.db2.gz GYEWYGZMEWRAKO-OAHLLOKOSA-N 1 2 333.435 4.000 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000661426491 1042115652 /nfs/dbraw/zinc/11/56/52/1042115652.db2.gz XCIQSKBFBAKPKB-CABCVRRESA-N 1 2 345.512 3.870 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513979 1042159589 /nfs/dbraw/zinc/15/95/89/1042159589.db2.gz VFPZRVQSHLTCBR-KXBFYZLASA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513979 1042159600 /nfs/dbraw/zinc/15/96/00/1042159600.db2.gz VFPZRVQSHLTCBR-KXBFYZLASA-N 1 2 326.415 3.620 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066889714 1042208525 /nfs/dbraw/zinc/20/85/25/1042208525.db2.gz HIOLRKVCDCQHOY-INIZCTEOSA-N 1 2 334.423 3.741 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)cc1F ZINC000661662167 1042240967 /nfs/dbraw/zinc/24/09/67/1042240967.db2.gz VAHGVZDRWNWOHD-KRWDZBQOSA-N 1 2 325.387 3.819 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3n2)cc1F ZINC000661662167 1042240973 /nfs/dbraw/zinc/24/09/73/1042240973.db2.gz VAHGVZDRWNWOHD-KRWDZBQOSA-N 1 2 325.387 3.819 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000661740119 1042296249 /nfs/dbraw/zinc/29/62/49/1042296249.db2.gz IHRKBRAZGACBNJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000661740119 1042296253 /nfs/dbraw/zinc/29/62/53/1042296253.db2.gz IHRKBRAZGACBNJ-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO CC(C)N(C(=O)C[N@H+](Cc1ccccn1)C(C)C)c1ccccc1 ZINC000048273151 1042298908 /nfs/dbraw/zinc/29/89/08/1042298908.db2.gz OYZTYJMGIDTLIT-UHFFFAOYSA-N 1 2 325.456 3.734 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](Cc1ccccn1)C(C)C)c1ccccc1 ZINC000048273151 1042298915 /nfs/dbraw/zinc/29/89/15/1042298915.db2.gz OYZTYJMGIDTLIT-UHFFFAOYSA-N 1 2 325.456 3.734 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661867928 1042376792 /nfs/dbraw/zinc/37/67/92/1042376792.db2.gz OQZMNTXRWCEWAH-QAPCUYQASA-N 1 2 347.507 3.520 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000468915955 1042416740 /nfs/dbraw/zinc/41/67/40/1042416740.db2.gz HECMGHVFUFOKFI-UHFFFAOYSA-N 1 2 349.471 3.884 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000468915955 1042416743 /nfs/dbraw/zinc/41/67/43/1042416743.db2.gz HECMGHVFUFOKFI-UHFFFAOYSA-N 1 2 349.471 3.884 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000661952763 1042427640 /nfs/dbraw/zinc/42/76/40/1042427640.db2.gz HTXTUSANYLMGFU-UHFFFAOYSA-N 1 2 345.830 3.725 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nnc(-c3ccccc3Cl)o1)CC2 ZINC000661952888 1042428096 /nfs/dbraw/zinc/42/80/96/1042428096.db2.gz HRTZJOJTBQUADH-UHFFFAOYSA-N 1 2 345.830 3.725 20 0 EHADLO Cc1ccc(OCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000545692956 1042466744 /nfs/dbraw/zinc/46/67/44/1042466744.db2.gz IKMWLSPYSGGIKN-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662047420 1042483779 /nfs/dbraw/zinc/48/37/79/1042483779.db2.gz DWJJFRYJMJVDFU-UHFFFAOYSA-N 1 2 328.391 3.563 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)nc1 ZINC000662052248 1042486178 /nfs/dbraw/zinc/48/61/78/1042486178.db2.gz QGNOFDCPTHBVSQ-HNNXBMFYSA-N 1 2 325.239 3.774 20 0 EHADLO CC1(C)C[C@@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652468604 1042492672 /nfs/dbraw/zinc/49/26/72/1042492672.db2.gz MCDPZZFDHOOYOR-SFHVURJKSA-N 1 2 337.467 3.762 20 0 EHADLO COc1ccc(CCC2CC[NH+](Cc3ncc(Cl)n3C)CC2)cc1 ZINC000053847303 1042601373 /nfs/dbraw/zinc/60/13/73/1042601373.db2.gz ARFNRIWXNNOFQN-UHFFFAOYSA-N 1 2 347.890 3.927 20 0 EHADLO CCCCc1noc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662213246 1042608586 /nfs/dbraw/zinc/60/85/86/1042608586.db2.gz WRAZLAMUUGXYOK-UHFFFAOYSA-N 1 2 339.439 3.853 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662244793 1042632424 /nfs/dbraw/zinc/63/24/24/1042632424.db2.gz VJAJHKDCHAZGPZ-UONOGXRCSA-N 1 2 347.377 3.506 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662244793 1042632428 /nfs/dbraw/zinc/63/24/28/1042632428.db2.gz VJAJHKDCHAZGPZ-UONOGXRCSA-N 1 2 347.377 3.506 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H](CC(F)(F)F)O1 ZINC000662244811 1042632516 /nfs/dbraw/zinc/63/25/16/1042632516.db2.gz VLZVCFBQSWYKKA-ABAIWWIYSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H](CC(F)(F)F)O1 ZINC000662244811 1042632518 /nfs/dbraw/zinc/63/25/18/1042632518.db2.gz VLZVCFBQSWYKKA-ABAIWWIYSA-N 1 2 342.336 3.916 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000043171124 1042697832 /nfs/dbraw/zinc/69/78/32/1042697832.db2.gz KKYQTZNTFOTNCM-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043172909 1042707814 /nfs/dbraw/zinc/70/78/14/1042707814.db2.gz OUORGUASPRIKDJ-UHFFFAOYSA-N 1 2 344.846 3.965 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573154 1042717257 /nfs/dbraw/zinc/71/72/57/1042717257.db2.gz XJYZDPWYFHXHSL-IAQYHMDHSA-N 1 2 348.244 3.528 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893573154 1042717260 /nfs/dbraw/zinc/71/72/60/1042717260.db2.gz XJYZDPWYFHXHSL-IAQYHMDHSA-N 1 2 348.244 3.528 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH+]cn2)CC1 ZINC000663359411 1042754293 /nfs/dbraw/zinc/75/42/93/1042754293.db2.gz GPEGDVZUXABYFC-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)nc[nH+]2)CC1 ZINC000663359411 1042754299 /nfs/dbraw/zinc/75/42/99/1042754299.db2.gz GPEGDVZUXABYFC-GVDBMIGSSA-N 1 2 344.503 3.599 20 0 EHADLO C[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccs1 ZINC000051558324 1042780853 /nfs/dbraw/zinc/78/08/53/1042780853.db2.gz MIVUZXWTKRKHCZ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO C[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccs1 ZINC000051558324 1042780855 /nfs/dbraw/zinc/78/08/55/1042780855.db2.gz MIVUZXWTKRKHCZ-UHFFFAOYSA-N 1 2 336.258 3.790 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153155726 1042837449 /nfs/dbraw/zinc/83/74/49/1042837449.db2.gz FTZQKPLQEHOTKN-UONOGXRCSA-N 1 2 346.500 3.553 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCC[C@@H]3n3cccn3)[nH+]cn2)C1 ZINC000432320375 1042854099 /nfs/dbraw/zinc/85/40/99/1042854099.db2.gz OFGMMLZMBMDKPG-IKGGRYGDSA-N 1 2 340.475 3.505 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCC[C@@H]3n3cccn3)nc[nH+]2)C1 ZINC000432320375 1042854105 /nfs/dbraw/zinc/85/41/05/1042854105.db2.gz OFGMMLZMBMDKPG-IKGGRYGDSA-N 1 2 340.475 3.505 20 0 EHADLO c1nc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)sc1C1OCCO1 ZINC000278896417 1042866205 /nfs/dbraw/zinc/86/62/05/1042866205.db2.gz ILBKVJAMASHIAN-HNNXBMFYSA-N 1 2 345.468 3.701 20 0 EHADLO c1nc(C[N@H+]2CCCCC[C@H]2c2ccncc2)sc1C1OCCO1 ZINC000278896417 1042866209 /nfs/dbraw/zinc/86/62/09/1042866209.db2.gz ILBKVJAMASHIAN-HNNXBMFYSA-N 1 2 345.468 3.701 20 0 EHADLO CC1(C)C[C@]1(C[NH2+][C@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000663478043 1042907449 /nfs/dbraw/zinc/90/74/49/1042907449.db2.gz YMPBBEUTRYEARK-APWZRJJASA-N 1 2 338.480 3.913 20 0 EHADLO COc1cncc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000343949940 1042925903 /nfs/dbraw/zinc/92/59/03/1042925903.db2.gz FTSOBYDWUOVKPX-OAHLLOKOSA-N 1 2 345.874 3.622 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028175431 1042961982 /nfs/dbraw/zinc/96/19/82/1042961982.db2.gz DBQFBPRYOYMEEG-LSDHHAIUSA-N 1 2 328.481 3.681 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000028175431 1042961985 /nfs/dbraw/zinc/96/19/85/1042961985.db2.gz DBQFBPRYOYMEEG-LSDHHAIUSA-N 1 2 328.481 3.681 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000643251093 1042966821 /nfs/dbraw/zinc/96/68/21/1042966821.db2.gz CYVDRXABHXNWPJ-LBPRGKRZSA-N 1 2 330.819 3.594 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000643251093 1042966826 /nfs/dbraw/zinc/96/68/26/1042966826.db2.gz CYVDRXABHXNWPJ-LBPRGKRZSA-N 1 2 330.819 3.594 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000663552058 1042992725 /nfs/dbraw/zinc/99/27/25/1042992725.db2.gz UDHKJZUGTGRARW-AWEZNQCLSA-N 1 2 337.423 3.973 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000512037354 1043021331 /nfs/dbraw/zinc/02/13/31/1043021331.db2.gz GDZFTBLXTDSTRI-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000512037354 1043021337 /nfs/dbraw/zinc/02/13/37/1043021337.db2.gz GDZFTBLXTDSTRI-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000066985767 1043024582 /nfs/dbraw/zinc/02/45/82/1043024582.db2.gz WSYMALJYZBWEGD-HXUWFJFHSA-N 1 2 346.434 3.701 20 0 EHADLO O=C(c1cccc2cc[nH]c21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279029849 1043220239 /nfs/dbraw/zinc/22/02/39/1043220239.db2.gz BGGNLNLEOFYIGL-UHFFFAOYSA-N 1 2 348.450 3.721 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cccc3c2OCCCO3)s1 ZINC000279058892 1043278691 /nfs/dbraw/zinc/27/86/91/1043278691.db2.gz FCWUCKDSDYABHO-UHFFFAOYSA-N 1 2 332.469 3.892 20 0 EHADLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000279060889 1043282581 /nfs/dbraw/zinc/28/25/81/1043282581.db2.gz IPKQLRJEEUXBGJ-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000279060889 1043282592 /nfs/dbraw/zinc/28/25/92/1043282592.db2.gz IPKQLRJEEUXBGJ-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO O=C(c1cccc(F)c1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279060694 1043282953 /nfs/dbraw/zinc/28/29/53/1043282953.db2.gz ZYLXYVHQKFHPKE-UHFFFAOYSA-N 1 2 345.393 3.517 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(C)o1 ZINC000638722401 1043321175 /nfs/dbraw/zinc/32/11/75/1043321175.db2.gz QCNOZVLENAXDHJ-HNNXBMFYSA-N 1 2 332.350 3.892 20 0 EHADLO CCc1cncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000279081160 1043328343 /nfs/dbraw/zinc/32/83/43/1043328343.db2.gz UZGPAINESOJZQH-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cncc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000279081160 1043328355 /nfs/dbraw/zinc/32/83/55/1043328355.db2.gz UZGPAINESOJZQH-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000344200488 1043413627 /nfs/dbraw/zinc/41/36/27/1043413627.db2.gz LISLPWPIQAHEDC-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CC1 ZINC000606449663 1043446841 /nfs/dbraw/zinc/44/68/41/1043446841.db2.gz AOZGIZSGNLQUKB-KBPBESRZSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)C1CC1 ZINC000606449663 1043446847 /nfs/dbraw/zinc/44/68/47/1043446847.db2.gz AOZGIZSGNLQUKB-KBPBESRZSA-N 1 2 330.447 3.534 20 0 EHADLO CSc1cccc(F)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344222890 1043468022 /nfs/dbraw/zinc/46/80/22/1043468022.db2.gz BJKRITTUQCRBAW-UHFFFAOYSA-N 1 2 344.455 3.506 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCCc4occc4C3)n2)c(F)c1 ZINC000344232320 1043490604 /nfs/dbraw/zinc/49/06/04/1043490604.db2.gz GRDMNBSFHRQPBG-UHFFFAOYSA-N 1 2 329.350 3.692 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCCc4occc4C3)n2)c(F)c1 ZINC000344232320 1043490616 /nfs/dbraw/zinc/49/06/16/1043490616.db2.gz GRDMNBSFHRQPBG-UHFFFAOYSA-N 1 2 329.350 3.692 20 0 EHADLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000344242705 1043516799 /nfs/dbraw/zinc/51/67/99/1043516799.db2.gz YXOXPBWVQGDQJG-UHFFFAOYSA-N 1 2 338.329 3.685 20 0 EHADLO O=C(C[N@H+]1CCCc2occc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000344242705 1043516809 /nfs/dbraw/zinc/51/68/09/1043516809.db2.gz YXOXPBWVQGDQJG-UHFFFAOYSA-N 1 2 338.329 3.685 20 0 EHADLO COc1ccc(SCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162779168 1043779528 /nfs/dbraw/zinc/77/95/28/1043779528.db2.gz IYEBEYCBLACXSQ-UHFFFAOYSA-N 1 2 339.420 3.816 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2ccccc2)n1 ZINC000162819204 1043794081 /nfs/dbraw/zinc/79/40/81/1043794081.db2.gz HMNOBHRKMSGPFW-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000162851052 1043803413 /nfs/dbraw/zinc/80/34/13/1043803413.db2.gz JHNSMQGOAKDFFL-UHFFFAOYSA-N 1 2 341.802 3.896 20 0 EHADLO CC(C)CC[C@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663720639 1043813230 /nfs/dbraw/zinc/81/32/30/1043813230.db2.gz QBZFUGYSMCIOAJ-QGZVFWFLSA-N 1 2 346.519 3.623 20 0 EHADLO CC(C)CC[C@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663720639 1043813249 /nfs/dbraw/zinc/81/32/49/1043813249.db2.gz QBZFUGYSMCIOAJ-QGZVFWFLSA-N 1 2 346.519 3.623 20 0 EHADLO Cc1nnc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000351607778 1043997941 /nfs/dbraw/zinc/99/79/41/1043997941.db2.gz XSMKMJPQNQGAPO-AWEZNQCLSA-N 1 2 340.196 3.521 20 0 EHADLO C/C=C(\C=C\C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC ZINC000279451890 1044101120 /nfs/dbraw/zinc/10/11/20/1044101120.db2.gz DLHHGVULSSCJRI-RUUITORRSA-N 1 2 327.472 3.838 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000279502721 1044157050 /nfs/dbraw/zinc/15/70/50/1044157050.db2.gz SUVAGKBIKIOURR-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000279673251 1044393033 /nfs/dbraw/zinc/39/30/33/1044393033.db2.gz GCOOAIKMTUYKHV-LPHOPBHVSA-N 1 2 325.456 3.707 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000432598533 1044445819 /nfs/dbraw/zinc/44/58/19/1044445819.db2.gz CEAVKDUECUQYDD-INIZCTEOSA-N 1 2 346.519 3.542 20 0 EHADLO CC1(C)CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000279725685 1044470845 /nfs/dbraw/zinc/47/08/45/1044470845.db2.gz MKJRLQJQXYBDGP-UHFFFAOYSA-N 1 2 330.856 3.635 20 0 EHADLO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)CCS1 ZINC000279725685 1044470849 /nfs/dbraw/zinc/47/08/49/1044470849.db2.gz MKJRLQJQXYBDGP-UHFFFAOYSA-N 1 2 330.856 3.635 20 0 EHADLO COc1c(Br)cc(F)cc1Nc1cccn2cc[nH+]c12 ZINC001211708381 1044475290 /nfs/dbraw/zinc/47/52/90/1044475290.db2.gz QDISXUYSNGEVKR-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000344862300 1044539469 /nfs/dbraw/zinc/53/94/69/1044539469.db2.gz OMSSRIKMJFVSAS-GFCCVEGCSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000344862300 1044539480 /nfs/dbraw/zinc/53/94/80/1044539480.db2.gz OMSSRIKMJFVSAS-GFCCVEGCSA-N 1 2 349.525 3.926 20 0 EHADLO Cc1ccccc1-n1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC000112196076 1044585980 /nfs/dbraw/zinc/58/59/80/1044585980.db2.gz JGRIHASJPUPNEY-UHFFFAOYSA-N 1 2 343.390 3.823 20 0 EHADLO Brc1ccc(-c2c[nH]c(C[NH2+]Cc3ccco3)n2)cc1 ZINC000112370671 1044603217 /nfs/dbraw/zinc/60/32/17/1044603217.db2.gz DNEGNAFDJNXLPZ-UHFFFAOYSA-N 1 2 332.201 3.722 20 0 EHADLO Cc1nc(N(C)C[C@@H](C)c2nccs2)c(Br)c(C)[nH+]1 ZINC000663792044 1044626194 /nfs/dbraw/zinc/62/61/94/1044626194.db2.gz CJKKVPLIVINFKR-MRVPVSSYSA-N 1 2 341.278 3.552 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1oc(SC)cc1C ZINC000614000233 1044652134 /nfs/dbraw/zinc/65/21/34/1044652134.db2.gz KFXMQTWHWYIAFO-UHFFFAOYSA-N 1 2 335.473 3.621 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCO[C@H](CCc2ccccc2)C1 ZINC000663796484 1044664016 /nfs/dbraw/zinc/66/40/16/1044664016.db2.gz DITAFJBBXIPCJN-QGZVFWFLSA-N 1 2 333.435 3.655 20 0 EHADLO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(C)ccc1C ZINC000637504963 1044690705 /nfs/dbraw/zinc/69/07/05/1044690705.db2.gz HCHSGEYFBKIFOA-IBGZPJMESA-N 1 2 340.471 3.998 20 0 EHADLO Cc1nc(NCCC[C@H]2CCCCO2)c(Br)c(C)[nH+]1 ZINC000663802606 1044739269 /nfs/dbraw/zinc/73/92/69/1044739269.db2.gz VVEKVGYWNHZNPU-GFCCVEGCSA-N 1 2 328.254 3.617 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112793141 1044806952 /nfs/dbraw/zinc/80/69/52/1044806952.db2.gz OKAAOCZMDKSZHG-SJORKVTESA-N 1 2 339.345 3.893 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000279897631 1044820171 /nfs/dbraw/zinc/82/01/71/1044820171.db2.gz VRTZJVWVKPDMLM-MOPGFXCFSA-N 1 2 325.456 3.538 20 0 EHADLO Nc1ccc(Nc2nccc(C(F)(F)F)c2Br)c[nH+]1 ZINC001201284167 1136000735 /nfs/dbraw/zinc/00/07/35/1136000735.db2.gz LHZOWSSHMIELSW-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000620409220 1125569320 /nfs/dbraw/zinc/56/93/20/1125569320.db2.gz GLKSHLQMCQGWMG-UHFFFAOYSA-N 1 2 345.406 3.845 20 0 EHADLO CN(C[C@@H]1CCc2ccccc21)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000620683878 1125642645 /nfs/dbraw/zinc/64/26/45/1125642645.db2.gz VNTJXTIRUPIVFD-FQEVSTJZSA-N 1 2 345.446 3.733 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000153759647 1125657846 /nfs/dbraw/zinc/65/78/46/1125657846.db2.gz HTQQBPSLRISVKX-IRXDYDNUSA-N 1 2 325.456 3.764 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000154025534 1125686401 /nfs/dbraw/zinc/68/64/01/1125686401.db2.gz CFJWDOVZSGGCCI-CQSZACIVSA-N 1 2 341.846 3.899 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000154025534 1125686404 /nfs/dbraw/zinc/68/64/04/1125686404.db2.gz CFJWDOVZSGGCCI-CQSZACIVSA-N 1 2 341.846 3.899 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000154117645 1125693808 /nfs/dbraw/zinc/69/38/08/1125693808.db2.gz DEYDJYBKWKXLRT-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000154117645 1125693813 /nfs/dbraw/zinc/69/38/13/1125693813.db2.gz DEYDJYBKWKXLRT-CQSZACIVSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](C)CCOCc2ccccc2)c(Cl)c1 ZINC000154616191 1125736625 /nfs/dbraw/zinc/73/66/25/1125736625.db2.gz OCEORBABZRMLKR-UHFFFAOYSA-N 1 2 346.858 3.736 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c(Cl)c1 ZINC000154616191 1125736630 /nfs/dbraw/zinc/73/66/30/1125736630.db2.gz OCEORBABZRMLKR-UHFFFAOYSA-N 1 2 346.858 3.736 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155061691 1125781988 /nfs/dbraw/zinc/78/19/88/1125781988.db2.gz NNMXHZYDBKVJCS-KRWDZBQOSA-N 1 2 331.485 3.549 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546448 1126715005 /nfs/dbraw/zinc/71/50/05/1126715005.db2.gz XAKHRVZNFZMXLF-AWEZNQCLSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546448 1126715007 /nfs/dbraw/zinc/71/50/07/1126715007.db2.gz XAKHRVZNFZMXLF-AWEZNQCLSA-N 1 2 334.891 3.641 20 0 EHADLO O=C(NC1CCC2(CCCCC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000622548051 1126720333 /nfs/dbraw/zinc/72/03/33/1126720333.db2.gz ODYSEGYDBUUPDR-LJQANCHMSA-N 1 2 348.531 3.639 20 0 EHADLO O=C(NC1CCC2(CCCCC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000622548051 1126720336 /nfs/dbraw/zinc/72/03/36/1126720336.db2.gz ODYSEGYDBUUPDR-LJQANCHMSA-N 1 2 348.531 3.639 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983605 1126728907 /nfs/dbraw/zinc/72/89/07/1126728907.db2.gz VEQUWTCSOYFXAM-CZUORRHYSA-N 1 2 343.500 3.889 20 0 EHADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000184983605 1126728909 /nfs/dbraw/zinc/72/89/09/1126728909.db2.gz VEQUWTCSOYFXAM-CZUORRHYSA-N 1 2 343.500 3.889 20 0 EHADLO CC(C)c1nc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836525 1126794000 /nfs/dbraw/zinc/79/40/00/1126794000.db2.gz CTZMEYKBCZDKFZ-WMZOPIPTSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836525 1126794005 /nfs/dbraw/zinc/79/40/05/1126794005.db2.gz CTZMEYKBCZDKFZ-WMZOPIPTSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)c1nc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836524 1126794300 /nfs/dbraw/zinc/79/43/00/1126794300.db2.gz CTZMEYKBCZDKFZ-AEFFLSMTSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)no1 ZINC000622836524 1126794305 /nfs/dbraw/zinc/79/43/05/1126794305.db2.gz CTZMEYKBCZDKFZ-AEFFLSMTSA-N 1 2 329.444 3.793 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000175131473 1126866588 /nfs/dbraw/zinc/86/65/88/1126866588.db2.gz NOCLPAMWWXXKIL-SFHVURJKSA-N 1 2 335.455 3.548 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000175131473 1126866592 /nfs/dbraw/zinc/86/65/92/1126866592.db2.gz NOCLPAMWWXXKIL-SFHVURJKSA-N 1 2 335.455 3.548 20 0 EHADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(SCCO)n1 ZINC000623116705 1126879994 /nfs/dbraw/zinc/87/99/94/1126879994.db2.gz MNFPEXVVZSPQAW-UHFFFAOYSA-N 1 2 345.493 3.504 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000623121723 1126880145 /nfs/dbraw/zinc/88/01/45/1126880145.db2.gz FVOHYVAYJVBYBN-LLVKDONJSA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000623121723 1126880151 /nfs/dbraw/zinc/88/01/51/1126880151.db2.gz FVOHYVAYJVBYBN-LLVKDONJSA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cc(Cl)ccc1OC ZINC000623121660 1126880680 /nfs/dbraw/zinc/88/06/80/1126880680.db2.gz BBDOOLAHMJCSSG-UHFFFAOYSA-N 1 2 338.757 3.561 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cc(Cl)ccc1OC ZINC000623121660 1126880682 /nfs/dbraw/zinc/88/06/82/1126880682.db2.gz BBDOOLAHMJCSSG-UHFFFAOYSA-N 1 2 338.757 3.561 20 0 EHADLO CC[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000623173674 1126889062 /nfs/dbraw/zinc/88/90/62/1126889062.db2.gz MIESQLVEDXDLLL-KBPBESRZSA-N 1 2 325.334 3.644 20 0 EHADLO Cc1sc(NC(=O)CCCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000623240004 1126901723 /nfs/dbraw/zinc/90/17/23/1126901723.db2.gz AMSROVHYNQVYSQ-UHFFFAOYSA-N 1 2 326.425 3.734 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000623249340 1126905547 /nfs/dbraw/zinc/90/55/47/1126905547.db2.gz MCQPNRHTPBHWJG-UHFFFAOYSA-N 1 2 345.406 3.617 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000623296699 1126910489 /nfs/dbraw/zinc/91/04/89/1126910489.db2.gz NYQVPNVJZGDJGR-WBVHZDCISA-N 1 2 331.847 3.551 20 0 EHADLO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)on1 ZINC000192503161 1126912470 /nfs/dbraw/zinc/91/24/70/1126912470.db2.gz BIWMTKKSTCDGGY-MRVPVSSYSA-N 1 2 346.189 3.718 20 0 EHADLO Cc1nc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)cs1 ZINC000623363837 1126928998 /nfs/dbraw/zinc/92/89/98/1126928998.db2.gz HPIFVZJJAQWKHB-UHFFFAOYSA-N 1 2 334.338 3.822 20 0 EHADLO COc1ccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000072927161 1126935764 /nfs/dbraw/zinc/93/57/64/1126935764.db2.gz GZXQKPSSJDJMAN-UHFFFAOYSA-N 1 2 338.407 3.957 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C/c2cccs2)[nH+]1 ZINC000073023782 1126977613 /nfs/dbraw/zinc/97/76/13/1126977613.db2.gz BMVGAKGPBAHWSK-MDZDMXLPSA-N 1 2 331.437 3.657 20 0 EHADLO Cc1ccc([C@@H]([NH2+][C@H]2CCN(C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC000177196116 1126979009 /nfs/dbraw/zinc/97/90/09/1126979009.db2.gz PXBPTMOQBUAQFY-ZWKOTPCHSA-N 1 2 346.833 3.697 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623540893 1126980848 /nfs/dbraw/zinc/98/08/48/1126980848.db2.gz NCIATEXQNZTFQE-NSHDSACASA-N 1 2 345.340 3.834 20 0 EHADLO c1nn(CC2CCC2)cc1C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000921501268 1127050989 /nfs/dbraw/zinc/05/09/89/1127050989.db2.gz KLCNZMVAIXECAF-NRFANRHFSA-N 1 2 338.499 3.610 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361347 1127059369 /nfs/dbraw/zinc/05/93/69/1127059369.db2.gz AKGRBBACGNRYAF-MJGOQNOKSA-N 1 2 346.833 3.583 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361347 1127059373 /nfs/dbraw/zinc/05/93/73/1127059373.db2.gz AKGRBBACGNRYAF-MJGOQNOKSA-N 1 2 346.833 3.583 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361336 1127059587 /nfs/dbraw/zinc/05/95/87/1127059587.db2.gz AKGRBBACGNRYAF-HKUYNNGSSA-N 1 2 346.833 3.583 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361336 1127059594 /nfs/dbraw/zinc/05/95/94/1127059594.db2.gz AKGRBBACGNRYAF-HKUYNNGSSA-N 1 2 346.833 3.583 20 0 EHADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000179917501 1127100203 /nfs/dbraw/zinc/10/02/03/1127100203.db2.gz POPNDKUSNAGEFM-OWJWWREXSA-N 1 2 343.496 3.982 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000180497927 1127166761 /nfs/dbraw/zinc/16/67/61/1127166761.db2.gz JRGBISMCMLNYBT-LBPRGKRZSA-N 1 2 330.394 3.570 20 0 EHADLO CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000180497927 1127166763 /nfs/dbraw/zinc/16/67/63/1127166763.db2.gz JRGBISMCMLNYBT-LBPRGKRZSA-N 1 2 330.394 3.570 20 0 EHADLO CCCOc1ccc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cc1OC ZINC000351399331 1127176679 /nfs/dbraw/zinc/17/66/79/1127176679.db2.gz AWEJNRXUNCRWDY-ZDUSSCGKSA-N 1 2 342.399 3.534 20 0 EHADLO CCCc1cnc(NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000180787603 1127186351 /nfs/dbraw/zinc/18/63/51/1127186351.db2.gz GBTQIPXQWZURFN-UHFFFAOYSA-N 1 2 333.461 3.504 20 0 EHADLO c1coc([C@@H](CN[C@H]2CCCc3scnc32)[NH+]2CCCCC2)c1 ZINC000623850688 1127197174 /nfs/dbraw/zinc/19/71/74/1127197174.db2.gz ODDNXUPNJGEFOX-LSDHHAIUSA-N 1 2 331.485 3.930 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623866207 1127201836 /nfs/dbraw/zinc/20/18/36/1127201836.db2.gz OGAFPDPWGFOBDV-CZUORRHYSA-N 1 2 343.496 3.839 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000623925800 1127217821 /nfs/dbraw/zinc/21/78/21/1127217821.db2.gz PHZAGAFXXNIQKL-MFKMUULPSA-N 1 2 330.375 3.855 20 0 EHADLO Cc1ccc(Br)cc1[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000623994156 1127229224 /nfs/dbraw/zinc/22/92/24/1127229224.db2.gz PTGYZUMUPKBEID-JTQLQIEISA-N 1 2 342.668 3.995 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)N(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624099774 1127250941 /nfs/dbraw/zinc/25/09/41/1127250941.db2.gz AUMVBXMXYAGGBP-KSSFIOAISA-N 1 2 329.407 3.865 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1C1CC1 ZINC000181573458 1127283715 /nfs/dbraw/zinc/28/37/15/1127283715.db2.gz KLKHTIOSZOWTLV-LBPRGKRZSA-N 1 2 344.434 3.700 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3nnc(CCCc4ccccc4)o3)n2c1 ZINC000181840929 1127298843 /nfs/dbraw/zinc/29/88/43/1127298843.db2.gz VULAPAJHUPHCFF-UHFFFAOYSA-N 1 2 347.422 3.813 20 0 EHADLO CC[N@H+](Cc1nc(COC)no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182116442 1127313023 /nfs/dbraw/zinc/31/30/23/1127313023.db2.gz NICVGKNQVVQGEO-LLVKDONJSA-N 1 2 343.349 3.818 20 0 EHADLO CC[N@@H+](Cc1nc(COC)no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182116442 1127313026 /nfs/dbraw/zinc/31/30/26/1127313026.db2.gz NICVGKNQVVQGEO-LLVKDONJSA-N 1 2 343.349 3.818 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCc1ccccc1Cl ZINC000182221434 1127318267 /nfs/dbraw/zinc/31/82/67/1127318267.db2.gz JQWKZOPJAYGLSV-UHFFFAOYSA-N 1 2 334.813 3.841 20 0 EHADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCc1ccccc1Cl ZINC000182221434 1127318270 /nfs/dbraw/zinc/31/82/70/1127318270.db2.gz JQWKZOPJAYGLSV-UHFFFAOYSA-N 1 2 334.813 3.841 20 0 EHADLO CC(C)c1cnc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)s1 ZINC000183916937 1127389362 /nfs/dbraw/zinc/38/93/62/1127389362.db2.gz WACSZSMDDYHRPV-UHFFFAOYSA-N 1 2 337.533 3.831 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000184165772 1127396272 /nfs/dbraw/zinc/39/62/72/1127396272.db2.gz RMZUFBBJPRBWNU-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO COC(=O)c1oc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1C ZINC000184497672 1127406323 /nfs/dbraw/zinc/40/63/23/1127406323.db2.gz RWALIRBAZQARAP-LLVKDONJSA-N 1 2 336.457 3.979 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1nc(C(C)(C)C)cs1 ZINC000184506694 1127406993 /nfs/dbraw/zinc/40/69/93/1127406993.db2.gz RLOMTZMDZHTTQQ-CHWSQXEVSA-N 1 2 349.544 3.881 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000184556232 1127408166 /nfs/dbraw/zinc/40/81/66/1127408166.db2.gz ADTONERYDZENAH-YOEHRIQHSA-N 1 2 330.428 3.709 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)c1ccc(C)o1 ZINC000184663460 1127410758 /nfs/dbraw/zinc/41/07/58/1127410758.db2.gz WVVPEXQEIXDZDO-QGZVFWFLSA-N 1 2 330.428 3.627 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cs1 ZINC000184706516 1127411898 /nfs/dbraw/zinc/41/18/98/1127411898.db2.gz XJACNICZLJSORB-NSHDSACASA-N 1 2 337.514 3.982 20 0 EHADLO C[C@H]([NH2+]CCOc1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000185223908 1127422484 /nfs/dbraw/zinc/42/24/84/1127422484.db2.gz CTNDMMRKFWFHIB-ZDUSSCGKSA-N 1 2 333.407 3.986 20 0 EHADLO CC(C)C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000193337841 1127435526 /nfs/dbraw/zinc/43/55/26/1127435526.db2.gz TZWRNXAUZSNAGE-KRWDZBQOSA-N 1 2 333.863 3.910 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000193346849 1127436286 /nfs/dbraw/zinc/43/62/86/1127436286.db2.gz WGFUVQBVOYOJPH-UHFFFAOYSA-N 1 2 349.434 3.708 20 0 EHADLO Cc1sc(C(=O)Nc2cc(C)[nH+]cc2C)cc1Br ZINC001127732910 1127451399 /nfs/dbraw/zinc/45/13/99/1127451399.db2.gz BQDMCMJTXMEUJB-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO Cc1cc(CNC(=O)CCc2c[nH+]cn2C)ccc1-c1ccccc1 ZINC000194039031 1127450999 /nfs/dbraw/zinc/45/09/99/1127450999.db2.gz CTPZGNWKYITGDL-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000765316368 1127595968 /nfs/dbraw/zinc/59/59/68/1127595968.db2.gz QSZXLVNNGCQOIO-AWEZNQCLSA-N 1 2 330.497 3.700 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000765316854 1127596018 /nfs/dbraw/zinc/59/60/18/1127596018.db2.gz XMGUCPHZCWFDLV-IDTUSYRASA-N 1 2 344.455 3.806 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000385299526 1127600056 /nfs/dbraw/zinc/60/00/56/1127600056.db2.gz JJTHKONOTGLSRP-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO COc1ccnc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)c1OC ZINC001168540908 1127614466 /nfs/dbraw/zinc/61/44/66/1127614466.db2.gz FKQMSIAWMGSJIR-KRWDZBQOSA-N 1 2 334.366 3.618 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)O[C@@H](C)C2 ZINC000921518918 1127621983 /nfs/dbraw/zinc/62/19/83/1127621983.db2.gz MQRZXHAHOQHTON-JTQLQIEISA-N 1 2 347.846 3.562 20 0 EHADLO COc1cc2c(cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)O[C@H](C)C2 ZINC000921518921 1127622086 /nfs/dbraw/zinc/62/20/86/1127622086.db2.gz MQRZXHAHOQHTON-SNVBAGLBSA-N 1 2 347.846 3.562 20 0 EHADLO C/C(=C/C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000842892072 1127629449 /nfs/dbraw/zinc/62/94/49/1127629449.db2.gz YDKWTQOGEANYTR-UVTDQMKNSA-N 1 2 342.826 3.818 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccco1 ZINC000014933254 1127648983 /nfs/dbraw/zinc/64/89/83/1127648983.db2.gz IFGUXOZNYDOLOW-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccco1 ZINC000014933254 1127648987 /nfs/dbraw/zinc/64/89/87/1127648987.db2.gz IFGUXOZNYDOLOW-LLVKDONJSA-N 1 2 337.217 3.501 20 0 EHADLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F ZINC000017289690 1127667193 /nfs/dbraw/zinc/66/71/93/1127667193.db2.gz BKVGPOWVEYWWIS-SGTLLEGYSA-N 1 2 330.378 3.635 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)CCC(=O)N2 ZINC000921546105 1127695559 /nfs/dbraw/zinc/69/55/59/1127695559.db2.gz NECYBLSICWSLEJ-GFCCVEGCSA-N 1 2 327.428 3.708 20 0 EHADLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000734487616 1131240454 /nfs/dbraw/zinc/24/04/54/1131240454.db2.gz SUEWVFYBIWZEIJ-UHFFFAOYSA-N 1 2 340.851 3.871 20 0 EHADLO c1c(CCNc2ncnc3c4ccccc4oc32)[nH+]c2ccccn12 ZINC000023617930 1127698589 /nfs/dbraw/zinc/69/85/89/1127698589.db2.gz LTYGSNFNYKZJAK-UHFFFAOYSA-N 1 2 329.363 3.678 20 0 EHADLO Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889674 1127700813 /nfs/dbraw/zinc/70/08/13/1127700813.db2.gz RPGPGGCHTSJEJG-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(Br)c1 ZINC001137808489 1127701375 /nfs/dbraw/zinc/70/13/75/1127701375.db2.gz SAZIIDBFNOPXOZ-GFCCVEGCSA-N 1 2 330.266 3.787 20 0 EHADLO CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049777 1127701805 /nfs/dbraw/zinc/70/18/05/1127701805.db2.gz ZRSZCWRPIXOGED-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO O=c1[nH]c(C[N@H+](Cc2ccccc2)C2CC2)nc2cc(Cl)ccc21 ZINC000025124526 1127745689 /nfs/dbraw/zinc/74/56/89/1127745689.db2.gz WBUBAVDHDFMKRV-UHFFFAOYSA-N 1 2 339.826 3.741 20 0 EHADLO O=c1[nH]c(C[N@@H+](Cc2ccccc2)C2CC2)nc2cc(Cl)ccc21 ZINC000025124526 1127745692 /nfs/dbraw/zinc/74/56/92/1127745692.db2.gz WBUBAVDHDFMKRV-UHFFFAOYSA-N 1 2 339.826 3.741 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(F)ccc1Br ZINC000921563551 1127749150 /nfs/dbraw/zinc/74/91/50/1127749150.db2.gz MZFWAMOBUQKHEA-UHFFFAOYSA-N 1 2 346.631 3.817 20 0 EHADLO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921560737 1127752056 /nfs/dbraw/zinc/75/20/56/1127752056.db2.gz AXSMHBCZVYLBPQ-UHFFFAOYSA-N 1 2 344.459 3.792 20 0 EHADLO CNc1ccc(Nc2ccc3c(Br)nn(C)c3c2)c[nH+]1 ZINC001203458502 1127850747 /nfs/dbraw/zinc/85/07/47/1127850747.db2.gz NDPOQYHIZFCOGU-UHFFFAOYSA-N 1 2 332.205 3.516 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000043521326 1127921332 /nfs/dbraw/zinc/92/13/32/1127921332.db2.gz FWWASMYYQRGEHA-ZDUSSCGKSA-N 1 2 327.428 3.923 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000043521326 1127921334 /nfs/dbraw/zinc/92/13/34/1127921334.db2.gz FWWASMYYQRGEHA-ZDUSSCGKSA-N 1 2 327.428 3.923 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)c2ccsc2n1 ZINC001212356309 1127949393 /nfs/dbraw/zinc/94/93/93/1127949393.db2.gz SYYMDYREEKJCML-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO O=c1[nH]c(C[N@H+](Cc2ccccc2)C2CC2)nc2c3ccccc3oc21 ZINC000045548851 1127954787 /nfs/dbraw/zinc/95/47/87/1127954787.db2.gz SHEXLYMQQBCFCK-UHFFFAOYSA-N 1 2 345.402 3.834 20 0 EHADLO O=c1[nH]c(C[N@@H+](Cc2ccccc2)C2CC2)nc2c3ccccc3oc21 ZINC000045548851 1127954790 /nfs/dbraw/zinc/95/47/90/1127954790.db2.gz SHEXLYMQQBCFCK-UHFFFAOYSA-N 1 2 345.402 3.834 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCC[C@H]12 ZINC000045736785 1127958325 /nfs/dbraw/zinc/95/83/25/1127958325.db2.gz VPXNCUTVBOPQJY-NSISKUIASA-N 1 2 337.467 3.972 20 0 EHADLO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860164 1127962103 /nfs/dbraw/zinc/96/21/03/1127962103.db2.gz YTXCBYZQOVNQTJ-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358585 1127964863 /nfs/dbraw/zinc/96/48/63/1127964863.db2.gz RCYKUPBLZDIKMB-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000046118759 1127969470 /nfs/dbraw/zinc/96/94/70/1127969470.db2.gz NSWZPFZSUDUMSC-UHFFFAOYSA-N 1 2 348.406 3.719 20 0 EHADLO Cc1cc(Br)oc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118668 1127969495 /nfs/dbraw/zinc/96/94/95/1127969495.db2.gz ANIMOSIKMGRMOL-UHFFFAOYSA-N 1 2 346.184 3.789 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](c3ncccc3C)C(C)C)ccc2[nH+]1 ZINC000265684749 1127986249 /nfs/dbraw/zinc/98/62/49/1127986249.db2.gz CQPGVYOKKSEVJH-QGZVFWFLSA-N 1 2 337.427 3.865 20 0 EHADLO CCCOc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047247440 1128004029 /nfs/dbraw/zinc/00/40/29/1128004029.db2.gz GVILNWURZTYBIU-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO CC(C)COc1ccc(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366541 1128042406 /nfs/dbraw/zinc/04/24/06/1128042406.db2.gz SCZOEHYMKKKTJE-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)ccn1 ZINC000347553767 1128075199 /nfs/dbraw/zinc/07/51/99/1128075199.db2.gz IIRWKYGETYAKOA-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO Cc1cc(OCCCC(=O)NCCCCn2cc[nH+]c2)ccc1Cl ZINC000060407961 1128101025 /nfs/dbraw/zinc/10/10/25/1128101025.db2.gz DOTYWQPZSBNERY-UHFFFAOYSA-N 1 2 349.862 3.601 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000060615837 1128110454 /nfs/dbraw/zinc/11/04/54/1128110454.db2.gz XYTYKXRXGJGYHO-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO Cc1nc(CN2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)cs1 ZINC000347608779 1128136020 /nfs/dbraw/zinc/13/60/20/1128136020.db2.gz JXTFWHXFUYEUQF-IHWYPQMZSA-N 1 2 349.450 3.561 20 0 EHADLO CC(C)Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000063596708 1128148775 /nfs/dbraw/zinc/14/87/75/1128148775.db2.gz KONWUPCWJRCDKC-UHFFFAOYSA-N 1 2 344.415 3.919 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000067652418 1128246074 /nfs/dbraw/zinc/24/60/74/1128246074.db2.gz BVWOITZUPQGUJE-QGZVFWFLSA-N 1 2 343.496 3.643 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000067652418 1128246078 /nfs/dbraw/zinc/24/60/78/1128246078.db2.gz BVWOITZUPQGUJE-QGZVFWFLSA-N 1 2 343.496 3.643 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000066564569 1128221636 /nfs/dbraw/zinc/22/16/36/1128221636.db2.gz RCCQNGWKSZIQSQ-OAHLLOKOSA-N 1 2 331.485 3.836 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000066564569 1128221639 /nfs/dbraw/zinc/22/16/39/1128221639.db2.gz RCCQNGWKSZIQSQ-OAHLLOKOSA-N 1 2 331.485 3.836 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc2ccccc2c1 ZINC000066965822 1128231086 /nfs/dbraw/zinc/23/10/86/1128231086.db2.gz QYJLBSLBKZZCKI-UHFFFAOYSA-N 1 2 331.419 3.765 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cs1 ZINC000067187014 1128236681 /nfs/dbraw/zinc/23/66/81/1128236681.db2.gz YLLCDDYMFCXWCW-UHFFFAOYSA-N 1 2 330.501 3.726 20 0 EHADLO Cc1cc([C@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000073678869 1128326768 /nfs/dbraw/zinc/32/67/68/1128326768.db2.gz PTKDAAWCJQKUFF-ZDUSSCGKSA-N 1 2 346.500 3.501 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)o1 ZINC000073871832 1128330115 /nfs/dbraw/zinc/33/01/15/1128330115.db2.gz TWYOOXQPRJPTBQ-MLGOLLRUSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)o1 ZINC000073871832 1128330120 /nfs/dbraw/zinc/33/01/20/1128330120.db2.gz TWYOOXQPRJPTBQ-MLGOLLRUSA-N 1 2 329.396 3.947 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccnc2Cl)cc1 ZINC000073987077 1128332611 /nfs/dbraw/zinc/33/26/11/1128332611.db2.gz PCCDPIRDJPDPEK-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccnc2Cl)cc1 ZINC000073987077 1128332615 /nfs/dbraw/zinc/33/26/15/1128332615.db2.gz PCCDPIRDJPDPEK-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO C[C@H](CCNC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000074388684 1128340340 /nfs/dbraw/zinc/34/03/40/1128340340.db2.gz NEPLQNUUSLDYTC-CYBMUJFWSA-N 1 2 339.361 3.602 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000112526620 1128348140 /nfs/dbraw/zinc/34/81/40/1128348140.db2.gz XRXAHZHMQRCOAK-KBPBESRZSA-N 1 2 338.411 3.764 20 0 EHADLO CCN(Cc1ccccc1NCc1c[nH+]c2c(C)cccn12)C(C)=O ZINC000155530771 1128377996 /nfs/dbraw/zinc/37/79/96/1128377996.db2.gz QYVPBJAIHFIPDZ-UHFFFAOYSA-N 1 2 336.439 3.623 20 0 EHADLO Fc1cc2[nH+]ccc(N3CC4(C3)CCCO4)c2cc1Br ZINC000624544192 1128390543 /nfs/dbraw/zinc/39/05/43/1128390543.db2.gz GVZPDEFXTJFORY-UHFFFAOYSA-N 1 2 337.192 3.506 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCCO3)cc2)[nH+]c1C ZINC000921655314 1128437363 /nfs/dbraw/zinc/43/73/63/1128437363.db2.gz QMYIAMTYGJPYES-PXAZEXFGSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H](C)[C@@H]3CCCO3)cc2)[nH+]c1C ZINC000921655316 1128437543 /nfs/dbraw/zinc/43/75/43/1128437543.db2.gz QMYIAMTYGJPYES-SJCJKPOMSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)Cc3cc(C4CC4)no3)cc2)[nH+]c1C ZINC000921656676 1128437591 /nfs/dbraw/zinc/43/75/91/1128437591.db2.gz WUEJWLGEEJOYOC-UHFFFAOYSA-N 1 2 336.395 3.740 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H](C)c3cnn(C)c3)cc2)[nH+]c1C ZINC000921656879 1128438043 /nfs/dbraw/zinc/43/80/43/1128438043.db2.gz UIRZVNOUHULLRN-LBPRGKRZSA-N 1 2 337.427 3.559 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CC[C@@H](C)O3)cc2)[nH+]c1C ZINC000921662770 1128440643 /nfs/dbraw/zinc/44/06/43/1128440643.db2.gz ZDKXMGZPCRTGLK-SJKOYZFVSA-N 1 2 327.428 3.980 20 0 EHADLO FC(F)(F)c1cc(CNc2cc(N3CCCC3)nc[nH+]2)cs1 ZINC000624703444 1128460192 /nfs/dbraw/zinc/46/01/92/1128460192.db2.gz IFSLXROBDJRAIX-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO FC(F)(F)c1cc(CNc2cc(N3CCCC3)[nH+]cn2)cs1 ZINC000624703444 1128460194 /nfs/dbraw/zinc/46/01/94/1128460194.db2.gz IFSLXROBDJRAIX-UHFFFAOYSA-N 1 2 328.363 3.769 20 0 EHADLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671893823 1128479993 /nfs/dbraw/zinc/47/99/93/1128479993.db2.gz ORSUAZFRZRXUBN-UHFFFAOYSA-N 1 2 347.462 3.868 20 0 EHADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1ccco1 ZINC000347635767 1128497672 /nfs/dbraw/zinc/49/76/72/1128497672.db2.gz LMQSORGUYCKVBG-SJORKVTESA-N 1 2 338.492 3.617 20 0 EHADLO Cc1cn2cc(NC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)ccc2[nH+]1 ZINC000542674258 1128496246 /nfs/dbraw/zinc/49/62/46/1128496246.db2.gz PICTUGPFUBXULU-CXAGYDPISA-N 1 2 335.411 3.653 20 0 EHADLO C[C@H]1C[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000347640676 1128503634 /nfs/dbraw/zinc/50/36/34/1128503634.db2.gz QFNWBDMZXKRTDL-STQMWFEESA-N 1 2 339.361 3.500 20 0 EHADLO CC[C@H](NC(=O)NCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000465642518 1128543682 /nfs/dbraw/zinc/54/36/82/1128543682.db2.gz YKQWZXAVZNDIFN-KRWDZBQOSA-N 1 2 340.471 3.549 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639540 1128554815 /nfs/dbraw/zinc/55/48/15/1128554815.db2.gz ZXXSCYOAXCMEGC-INMHGKMJSA-N 1 2 343.389 3.842 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CC[C@H](CF)C(F)(F)C3)CCO2)cc1 ZINC001168639540 1128554818 /nfs/dbraw/zinc/55/48/18/1128554818.db2.gz ZXXSCYOAXCMEGC-INMHGKMJSA-N 1 2 343.389 3.842 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000123135127 1128651494 /nfs/dbraw/zinc/65/14/94/1128651494.db2.gz JDUSKYNMUJVMIV-UHFFFAOYSA-N 1 2 348.450 3.938 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586402 1128666530 /nfs/dbraw/zinc/66/65/30/1128666530.db2.gz GGMMQRNGMWOTND-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586402 1128666532 /nfs/dbraw/zinc/66/65/32/1128666532.db2.gz GGMMQRNGMWOTND-KBPBESRZSA-N 1 2 328.378 3.905 20 0 EHADLO c1cc([C@@H]2CCC[N@H+]2Cc2noc3c2CCCC3)cc2c1OCO2 ZINC000108860938 1128669730 /nfs/dbraw/zinc/66/97/30/1128669730.db2.gz RNGIHTSMAAAKHL-INIZCTEOSA-N 1 2 326.396 3.619 20 0 EHADLO c1cc([C@@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)cc2c1OCO2 ZINC000108860938 1128669731 /nfs/dbraw/zinc/66/97/31/1128669731.db2.gz RNGIHTSMAAAKHL-INIZCTEOSA-N 1 2 326.396 3.619 20 0 EHADLO c1ccc(COc2cc(N[C@H]3CCCc4cccnc43)cc[nH+]2)nc1 ZINC001168659774 1128719072 /nfs/dbraw/zinc/71/90/72/1128719072.db2.gz QKPKAZODHPBFMM-SFHVURJKSA-N 1 2 332.407 3.940 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(F)cc1F ZINC000921760964 1128734853 /nfs/dbraw/zinc/73/48/53/1128734853.db2.gz BNIRTCYMXFERSY-NSHDSACASA-N 1 2 330.176 3.691 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)n1 ZINC000156349398 1128744079 /nfs/dbraw/zinc/74/40/79/1128744079.db2.gz VQSVDFHSWSZIIH-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1Cl)CC1CC1 ZINC000672142062 1128793729 /nfs/dbraw/zinc/79/37/29/1128793729.db2.gz GXGWHFMFOJIRMK-UHFFFAOYSA-N 1 2 331.847 3.756 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153914 1128816531 /nfs/dbraw/zinc/81/65/31/1128816531.db2.gz FPIFVYKUXLYIJY-INIZCTEOSA-N 1 2 347.418 3.729 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280688 1128845726 /nfs/dbraw/zinc/84/57/26/1128845726.db2.gz FVRHWSYXONDCIQ-GDBMZVCRSA-N 1 2 336.501 3.918 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280688 1128845729 /nfs/dbraw/zinc/84/57/29/1128845729.db2.gz FVRHWSYXONDCIQ-GDBMZVCRSA-N 1 2 336.501 3.918 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4csc(C(C)C)n4)n3)[nH+]c12 ZINC000547092454 1128850003 /nfs/dbraw/zinc/85/00/03/1128850003.db2.gz VKMGZGSQYOADDP-UHFFFAOYSA-N 1 2 339.424 3.863 20 0 EHADLO Fc1cc(NCc2cnn(CC3CCC3)c2)ccc1-n1cc[nH+]c1 ZINC000921883870 1128876607 /nfs/dbraw/zinc/87/66/07/1128876607.db2.gz YJLXDJACYFEAQA-UHFFFAOYSA-N 1 2 325.391 3.620 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(F)c1 ZINC000128839401 1120037026 /nfs/dbraw/zinc/03/70/26/1120037026.db2.gz UBFJRZSLHFXURS-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO Clc1ccc2nc(CNc3ccc(N4CCCCC4)c[nH+]3)cn2c1 ZINC001648873973 1120059405 /nfs/dbraw/zinc/05/94/05/1120059405.db2.gz FPPAJSQJNHHXHL-UHFFFAOYSA-N 1 2 341.846 3.985 20 0 EHADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)c1ccccc1 ZINC001648890267 1120061797 /nfs/dbraw/zinc/06/17/97/1120061797.db2.gz HEMFOPCJAVPOKP-UHFFFAOYSA-N 1 2 339.826 3.557 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c[nH+]1 ZINC001670425112 1120071608 /nfs/dbraw/zinc/07/16/08/1120071608.db2.gz FMZSPHGJMIBROA-UHFFFAOYSA-N 1 2 345.353 3.834 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCOCc2ccccc2)c(C)[nH+]1 ZINC001670643579 1120094634 /nfs/dbraw/zinc/09/46/34/1120094634.db2.gz QVEBTHLIOHIAQO-UHFFFAOYSA-N 1 2 327.428 3.735 20 0 EHADLO Cc1cc(C)c(NC(=O)NC(C)(C)C(=O)c2ccccc2)c(C)[nH+]1 ZINC001670648866 1120095262 /nfs/dbraw/zinc/09/52/62/1120095262.db2.gz PBFJYBVKOZRPCN-UHFFFAOYSA-N 1 2 325.412 3.790 20 0 EHADLO COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000081574634 1120120723 /nfs/dbraw/zinc/12/07/23/1120120723.db2.gz BKXRRFJRAHDEJM-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccccc1-c1nnc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000081574634 1120120727 /nfs/dbraw/zinc/12/07/27/1120120727.db2.gz BKXRRFJRAHDEJM-KUHUBIRLSA-N 1 2 335.407 3.938 20 0 EHADLO CCc1nc(N2CCOc3c(Br)cccc3C2)cc(C)[nH+]1 ZINC000672271557 1128893170 /nfs/dbraw/zinc/89/31/70/1128893170.db2.gz LYTSYQUYOOKVPV-UHFFFAOYSA-N 1 2 348.244 3.509 20 0 EHADLO CC[C@@H](C)C[C@H](C)Nc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001168694335 1128901899 /nfs/dbraw/zinc/90/18/99/1128901899.db2.gz MPAQXMVCNWFJNU-CABCVRRESA-N 1 2 328.460 3.703 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433963238 1120253864 /nfs/dbraw/zinc/25/38/64/1120253864.db2.gz WILRGUDKBPQMFW-MRXNPFEDSA-N 1 2 346.519 3.933 20 0 EHADLO COc1ccc([C@@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccc(C)cc2)cc1 ZINC000355118836 1128904851 /nfs/dbraw/zinc/90/48/51/1128904851.db2.gz XDDOUSVJNRGNJW-NRFANRHFSA-N 1 2 349.434 3.565 20 0 EHADLO COc1ccc([C@@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccc(C)cc2)cc1 ZINC000355118836 1128904855 /nfs/dbraw/zinc/90/48/55/1128904855.db2.gz XDDOUSVJNRGNJW-NRFANRHFSA-N 1 2 349.434 3.565 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000672298265 1128911716 /nfs/dbraw/zinc/91/17/16/1128911716.db2.gz OYCVPFPKIWDMRS-IBGZPJMESA-N 1 2 325.456 3.632 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000355147905 1128907597 /nfs/dbraw/zinc/90/75/97/1128907597.db2.gz ZOHSTUWSNZLMKU-OAHLLOKOSA-N 1 2 331.485 3.646 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000355147905 1128907598 /nfs/dbraw/zinc/90/75/98/1128907598.db2.gz ZOHSTUWSNZLMKU-OAHLLOKOSA-N 1 2 331.485 3.646 20 0 EHADLO O=C(C/C=C/c1ccccc1F)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175398733 1120371708 /nfs/dbraw/zinc/37/17/08/1120371708.db2.gz VWZCXVQYHRHMII-XBXARRHUSA-N 1 2 349.409 3.790 20 0 EHADLO Cc1cc(NCc2ccc(OC3COC3)cc2)[nH+]cc1C(F)(F)F ZINC001168462489 1120386650 /nfs/dbraw/zinc/38/66/50/1120386650.db2.gz TWSAYGDWTCYWGV-UHFFFAOYSA-N 1 2 338.329 3.799 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)c2c(O)cccc21 ZINC000186316348 1120454749 /nfs/dbraw/zinc/45/47/49/1120454749.db2.gz QYZKKAOTYOBMGT-AWEZNQCLSA-N 1 2 333.391 3.732 20 0 EHADLO Fc1ccc(-n2ccc(C[NH+]3CCC(C(F)(F)F)CC3)n2)c(F)c1 ZINC000190256211 1120631612 /nfs/dbraw/zinc/63/16/12/1120631612.db2.gz ZRDORZUBAMBQHW-UHFFFAOYSA-N 1 2 345.315 3.925 20 0 EHADLO C[C@H]1CSCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000190478622 1120639600 /nfs/dbraw/zinc/63/96/00/1120639600.db2.gz YPALKPAJHDUITN-SNVBAGLBSA-N 1 2 340.290 3.510 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000190478622 1120639602 /nfs/dbraw/zinc/63/96/02/1120639602.db2.gz YPALKPAJHDUITN-SNVBAGLBSA-N 1 2 340.290 3.510 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153108898 1120697679 /nfs/dbraw/zinc/69/76/79/1120697679.db2.gz MKACMWBFGMGCBM-CQSZACIVSA-N 1 2 326.535 3.623 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153108898 1120697680 /nfs/dbraw/zinc/69/76/80/1120697680.db2.gz MKACMWBFGMGCBM-CQSZACIVSA-N 1 2 326.535 3.623 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3csc(-c4ccccc4)n3)[nH+]c12 ZINC000672332584 1128934492 /nfs/dbraw/zinc/93/44/92/1128934492.db2.gz XFXYDJBZDYVHSW-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192055986 1120708936 /nfs/dbraw/zinc/70/89/36/1120708936.db2.gz NSXAHIWLHPDHAA-QAPCUYQASA-N 1 2 349.862 3.931 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)c1cn[nH]c1 ZINC000494676390 1120717619 /nfs/dbraw/zinc/71/76/19/1120717619.db2.gz ZEUKGFISJLNFRH-JTQLQIEISA-N 1 2 347.216 3.678 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000192740926 1120746139 /nfs/dbraw/zinc/74/61/39/1120746139.db2.gz NXEYWXLMPKQTQC-QGZVFWFLSA-N 1 2 341.904 3.832 20 0 EHADLO CC(C)Sc1cccc(Cl)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000192740926 1120746145 /nfs/dbraw/zinc/74/61/45/1120746145.db2.gz NXEYWXLMPKQTQC-QGZVFWFLSA-N 1 2 341.904 3.832 20 0 EHADLO CC[N@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192781590 1120749103 /nfs/dbraw/zinc/74/91/03/1120749103.db2.gz PFXBDZOIZXMBLL-KRWDZBQOSA-N 1 2 332.444 3.729 20 0 EHADLO CC[N@@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192781590 1120749109 /nfs/dbraw/zinc/74/91/09/1120749109.db2.gz PFXBDZOIZXMBLL-KRWDZBQOSA-N 1 2 332.444 3.729 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(SC)cc2)c1C ZINC000195002972 1120758950 /nfs/dbraw/zinc/75/89/50/1120758950.db2.gz SPHJFLSQKFYORB-UHFFFAOYSA-N 1 2 330.453 3.701 20 0 EHADLO CCC[C@H](CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195365861 1120779330 /nfs/dbraw/zinc/77/93/30/1120779330.db2.gz ADMAFCSPXWWECO-JZXOWHBKSA-N 1 2 347.503 3.996 20 0 EHADLO CCC[C@H](CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195365861 1120779332 /nfs/dbraw/zinc/77/93/32/1120779332.db2.gz ADMAFCSPXWWECO-JZXOWHBKSA-N 1 2 347.503 3.996 20 0 EHADLO CC(C)(C)OCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000670099223 1120834726 /nfs/dbraw/zinc/83/47/26/1120834726.db2.gz PLSHTHDHWKIZEF-UHFFFAOYSA-N 1 2 342.277 3.849 20 0 EHADLO CC(C)(C)OCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000670099223 1120834729 /nfs/dbraw/zinc/83/47/29/1120834729.db2.gz PLSHTHDHWKIZEF-UHFFFAOYSA-N 1 2 342.277 3.849 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc([S@](C)=O)cc1 ZINC000194417111 1120842676 /nfs/dbraw/zinc/84/26/76/1120842676.db2.gz ZQASGBVZGMIXLW-QHCPKHFHSA-N 1 2 346.477 3.773 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc([S@](C)=O)cc1 ZINC000194417111 1120842679 /nfs/dbraw/zinc/84/26/79/1120842679.db2.gz ZQASGBVZGMIXLW-QHCPKHFHSA-N 1 2 346.477 3.773 20 0 EHADLO C/C(=C/c1ccccc1)CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000494813714 1120859718 /nfs/dbraw/zinc/85/97/18/1120859718.db2.gz QSDDOBKOQZGTMZ-ICFOKQHNSA-N 1 2 338.455 3.629 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@H](C)C(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000494824963 1120874591 /nfs/dbraw/zinc/87/45/91/1120874591.db2.gz UGXQYYOBIJODOX-UONOGXRCSA-N 1 2 348.397 3.620 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1OC(F)(F)F ZINC000157035511 1128949853 /nfs/dbraw/zinc/94/98/53/1128949853.db2.gz JNGPAMOTDWXANA-SNVBAGLBSA-N 1 2 345.390 3.959 20 0 EHADLO COCc1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)ccc1F ZINC000495042890 1120936412 /nfs/dbraw/zinc/93/64/12/1120936412.db2.gz HMVONOMQBMFDPL-KRWDZBQOSA-N 1 2 332.423 3.501 20 0 EHADLO Clc1ccc(CN2CC[NH+](C/C=C/c3ccncc3)CC2)s1 ZINC000495077492 1120947525 /nfs/dbraw/zinc/94/75/25/1120947525.db2.gz FQGGMYOLYYBJEV-OWOJBTEDSA-N 1 2 333.888 3.628 20 0 EHADLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000495096030 1120951798 /nfs/dbraw/zinc/95/17/98/1120951798.db2.gz ZRBAYCLZCBMPTK-UHFFFAOYSA-N 1 2 346.858 3.767 20 0 EHADLO CC(=O)OC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000153322628 1120965037 /nfs/dbraw/zinc/96/50/37/1120965037.db2.gz DOYYKTYYDPUSEB-UHFFFAOYSA-N 1 2 346.652 3.630 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377337 1121002490 /nfs/dbraw/zinc/00/24/90/1121002490.db2.gz JCLVAVAGENWFFD-QWRGUYRKSA-N 1 2 348.231 3.853 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377337 1121002495 /nfs/dbraw/zinc/00/24/95/1121002495.db2.gz JCLVAVAGENWFFD-QWRGUYRKSA-N 1 2 348.231 3.853 20 0 EHADLO Cc1cc(C)c(C(=O)NCC2(c3ccc(F)cc3F)CC2)c(C)[nH+]1 ZINC001127329630 1121042223 /nfs/dbraw/zinc/04/22/23/1121042223.db2.gz AXECHPMCNFBGRZ-UHFFFAOYSA-N 1 2 330.378 3.747 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(N2CCOC2=O)c1 ZINC000495343377 1121088638 /nfs/dbraw/zinc/08/86/38/1121088638.db2.gz UWLZPGFBEJRVJG-JTQLQIEISA-N 1 2 337.832 3.604 20 0 EHADLO Cc1oc(-c2ccccc2)nc1Cc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351422320 1121162836 /nfs/dbraw/zinc/16/28/36/1121162836.db2.gz VMAVLUDASYDRCX-CYBMUJFWSA-N 1 2 349.394 3.624 20 0 EHADLO S=c1n(C[N@H+](C2CC2)C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000915208244 1121253310 /nfs/dbraw/zinc/25/33/10/1121253310.db2.gz FEWOVYKERXDZFC-UHFFFAOYSA-N 1 2 349.891 3.816 20 0 EHADLO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000915208244 1121253317 /nfs/dbraw/zinc/25/33/17/1121253317.db2.gz FEWOVYKERXDZFC-UHFFFAOYSA-N 1 2 349.891 3.816 20 0 EHADLO c1cn(-c2cccc(-c3nc(COCc4ccccc4)no3)c2)c[nH+]1 ZINC000356408300 1128974821 /nfs/dbraw/zinc/97/48/21/1128974821.db2.gz INZZGOCRLFJDLA-UHFFFAOYSA-N 1 2 332.363 3.639 20 0 EHADLO CC/C=C(\C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000915266969 1121285697 /nfs/dbraw/zinc/28/56/97/1121285697.db2.gz VBJSTVZDPQVXBF-LNKIKWGQSA-N 1 2 340.389 3.706 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cnc(-c2ccccn2)n1 ZINC000762478279 1121320940 /nfs/dbraw/zinc/32/09/40/1121320940.db2.gz RRCIEABMGCYPJS-UHFFFAOYSA-N 1 2 348.237 3.736 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cnc(-c2ccccn2)n1 ZINC000762478279 1121320949 /nfs/dbraw/zinc/32/09/49/1121320949.db2.gz RRCIEABMGCYPJS-UHFFFAOYSA-N 1 2 348.237 3.736 20 0 EHADLO Cc1cccc([C@H]([NH2+]Cc2cccc3c2OCO3)c2ccccn2)c1 ZINC000153568684 1121338536 /nfs/dbraw/zinc/33/85/36/1121338536.db2.gz GQFRIKKQRBDNFB-FQEVSTJZSA-N 1 2 332.403 3.998 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000762561349 1121353067 /nfs/dbraw/zinc/35/30/67/1121353067.db2.gz HAYQNLLXTJRMKD-UHFFFAOYSA-N 1 2 339.398 3.836 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[NH+]1CCC2(CCCC2)CC1 ZINC000153582072 1121365180 /nfs/dbraw/zinc/36/51/80/1121365180.db2.gz HSBVPCPSFZSRCW-UHFFFAOYSA-N 1 2 338.546 3.888 20 0 EHADLO COc1ccc2oc([C@H](C)Nc3[nH+]cnc4c3cnn4C)c(C)c2c1 ZINC000171676287 1121412654 /nfs/dbraw/zinc/41/26/54/1121412654.db2.gz VQDSPZTWSXNDCI-NSHDSACASA-N 1 2 337.383 3.600 20 0 EHADLO CC(C)c1cc(C[NH2+][C@H](C)c2cc(Br)ncc2F)on1 ZINC000762757401 1121434938 /nfs/dbraw/zinc/43/49/38/1121434938.db2.gz DDYPUXVRFJRQRV-SECBINFHSA-N 1 2 342.212 3.945 20 0 EHADLO CCOc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000237058243 1121471608 /nfs/dbraw/zinc/47/16/08/1121471608.db2.gz XSDGEMKNURPFTR-UHFFFAOYSA-N 1 2 327.428 3.570 20 0 EHADLO Clc1cc(Cl)cc(CNc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000237838648 1121495630 /nfs/dbraw/zinc/49/56/30/1121495630.db2.gz IRKIKSLMYZRFER-UHFFFAOYSA-N 1 2 338.238 3.837 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)cn1 ZINC000542573335 1121501753 /nfs/dbraw/zinc/50/17/53/1121501753.db2.gz HVGVJMWWRSNENZ-NEPJUHHUSA-N 1 2 331.445 3.987 20 0 EHADLO CC(C)n1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495908515 1121565114 /nfs/dbraw/zinc/56/51/14/1121565114.db2.gz DKGDFXWATYARPL-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO CC(C)n1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495908515 1121565118 /nfs/dbraw/zinc/56/51/18/1121565118.db2.gz DKGDFXWATYARPL-HNNXBMFYSA-N 1 2 342.443 3.614 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749939278 1121629149 /nfs/dbraw/zinc/62/91/49/1121629149.db2.gz ONXFMRDGTRDGTN-JKSUJKDBSA-N 1 2 340.389 3.886 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749939278 1121629151 /nfs/dbraw/zinc/62/91/51/1121629151.db2.gz ONXFMRDGTRDGTN-JKSUJKDBSA-N 1 2 340.389 3.886 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@@H]1F ZINC001235589943 1121645650 /nfs/dbraw/zinc/64/56/50/1121645650.db2.gz GLMGCSAABLAPFH-NWDGAFQWSA-N 1 2 326.626 3.942 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC[C@@H]1F ZINC001235589943 1121645655 /nfs/dbraw/zinc/64/56/55/1121645655.db2.gz GLMGCSAABLAPFH-NWDGAFQWSA-N 1 2 326.626 3.942 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000762998397 1121647737 /nfs/dbraw/zinc/64/77/37/1121647737.db2.gz XKHZTLSXEWEXAL-HXUWFJFHSA-N 1 2 349.434 3.578 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225452 1121750021 /nfs/dbraw/zinc/75/00/21/1121750021.db2.gz DEENRTKGQZQZBE-UHFFFAOYSA-N 1 2 347.752 3.985 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000054985906 1121788168 /nfs/dbraw/zinc/78/81/68/1121788168.db2.gz QQHCIXKUUOCIBZ-UHFFFAOYSA-N 1 2 331.485 3.814 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC2CC2)cc1 ZINC000055190819 1121803421 /nfs/dbraw/zinc/80/34/21/1121803421.db2.gz BPTKFUREIILHOX-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO Cc1cccc(COc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)c1 ZINC000055473486 1121831094 /nfs/dbraw/zinc/83/10/94/1121831094.db2.gz INSHTLNFOCPVND-UHFFFAOYSA-N 1 2 349.434 3.591 20 0 EHADLO COc1ccc(OCC[N@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000055472479 1121831500 /nfs/dbraw/zinc/83/15/00/1121831500.db2.gz QPYQLXBXGRFOTH-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO COc1ccc(OCC[N@@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000055472479 1121831514 /nfs/dbraw/zinc/83/15/14/1121831514.db2.gz QPYQLXBXGRFOTH-UHFFFAOYSA-N 1 2 344.436 3.923 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)CCc2ccccc2)cs1 ZINC000347469961 1121903113 /nfs/dbraw/zinc/90/31/13/1121903113.db2.gz UXDYSYUZGAQCSZ-CRAIPNDOSA-N 1 2 348.512 3.666 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)CCc2ccccc2)cs1 ZINC000347469961 1121903117 /nfs/dbraw/zinc/90/31/17/1121903117.db2.gz UXDYSYUZGAQCSZ-CRAIPNDOSA-N 1 2 348.512 3.666 20 0 EHADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)s1 ZINC000672568999 1129019420 /nfs/dbraw/zinc/01/94/20/1129019420.db2.gz VNZHMDMBQSAKNU-GJZGRUSLSA-N 1 2 331.485 3.778 20 0 EHADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)s1 ZINC000672568999 1129019423 /nfs/dbraw/zinc/01/94/23/1129019423.db2.gz VNZHMDMBQSAKNU-GJZGRUSLSA-N 1 2 331.485 3.778 20 0 EHADLO Cc1ncc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)o1 ZINC000397949919 1121951218 /nfs/dbraw/zinc/95/12/18/1121951218.db2.gz OKQQPKVFDNIIGE-UHFFFAOYSA-N 1 2 347.159 3.637 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nc(C2CC2)n1Cc1ccco1 ZINC000763329823 1121960764 /nfs/dbraw/zinc/96/07/64/1121960764.db2.gz AYPPTJDGRXTNLU-HNNXBMFYSA-N 1 2 344.484 3.622 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nc(C2CC2)n1Cc1ccco1 ZINC000763329823 1121960771 /nfs/dbraw/zinc/96/07/71/1121960771.db2.gz AYPPTJDGRXTNLU-HNNXBMFYSA-N 1 2 344.484 3.622 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000763330278 1121960834 /nfs/dbraw/zinc/96/08/34/1121960834.db2.gz CCSFXLKXHROHDO-MRXNPFEDSA-N 1 2 328.485 3.790 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000763330278 1121960840 /nfs/dbraw/zinc/96/08/40/1121960840.db2.gz CCSFXLKXHROHDO-MRXNPFEDSA-N 1 2 328.485 3.790 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763331325 1121962022 /nfs/dbraw/zinc/96/20/22/1121962022.db2.gz GQHDZEOFJSSBCD-GOSISDBHSA-N 1 2 346.430 3.572 20 0 EHADLO O=C1c2cc(-c3ccccc3)ccc2N(C[N@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763331325 1121962027 /nfs/dbraw/zinc/96/20/27/1121962027.db2.gz GQHDZEOFJSSBCD-GOSISDBHSA-N 1 2 346.430 3.572 20 0 EHADLO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444193131 1121971465 /nfs/dbraw/zinc/97/14/65/1121971465.db2.gz HTWQTLJTZMVMND-IXDOHACOSA-N 1 2 332.492 3.668 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023268 1122024468 /nfs/dbraw/zinc/02/44/68/1122024468.db2.gz IZXKZBBUEDEUMY-WBVHZDCISA-N 1 2 346.544 3.615 20 0 EHADLO COc1c(C)ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000916465978 1122162378 /nfs/dbraw/zinc/16/23/78/1122162378.db2.gz HJEVETKAZRXORE-INIZCTEOSA-N 1 2 344.459 3.745 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125243666 1122310486 /nfs/dbraw/zinc/31/04/86/1122310486.db2.gz NGHNODLQAZEPFQ-QFBILLFUSA-N 1 2 340.471 3.652 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ncccc1F ZINC000126407292 1122404779 /nfs/dbraw/zinc/40/47/79/1122404779.db2.gz GNQUIRBOKFDKSD-UHFFFAOYSA-N 1 2 338.430 3.994 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000127195499 1122468625 /nfs/dbraw/zinc/46/86/25/1122468625.db2.gz MHJXYEAZJYQBHX-ZDUSSCGKSA-N 1 2 335.423 3.968 20 0 EHADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000127195499 1122468630 /nfs/dbraw/zinc/46/86/30/1122468630.db2.gz MHJXYEAZJYQBHX-ZDUSSCGKSA-N 1 2 335.423 3.968 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068737 1122474894 /nfs/dbraw/zinc/47/48/94/1122474894.db2.gz ZWGOISKXFYYGAJ-FXAWDEMLSA-N 1 2 327.472 3.899 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068737 1122474896 /nfs/dbraw/zinc/47/48/96/1122474896.db2.gz ZWGOISKXFYYGAJ-FXAWDEMLSA-N 1 2 327.472 3.899 20 0 EHADLO Fc1cccc([C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CCO2)c1 ZINC000066848489 1122488029 /nfs/dbraw/zinc/48/80/29/1122488029.db2.gz RUBQCZYBJJPPCD-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CCO2)c1 ZINC000066848489 1122488034 /nfs/dbraw/zinc/48/80/34/1122488034.db2.gz RUBQCZYBJJPPCD-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCCCCn1cc[nH+]c1 ZINC000065515958 1129058115 /nfs/dbraw/zinc/05/81/15/1129058115.db2.gz FYHJTVAPWNURBC-UHFFFAOYSA-N 1 2 349.434 3.596 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000127640042 1122498950 /nfs/dbraw/zinc/49/89/50/1122498950.db2.gz HNJPQKFFJRZTAG-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000127640042 1122498953 /nfs/dbraw/zinc/49/89/53/1122498953.db2.gz HNJPQKFFJRZTAG-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000067557551 1122521117 /nfs/dbraw/zinc/52/11/17/1122521117.db2.gz FGRKSEKYLIUQMP-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO CCCCCC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C)o1 ZINC000917170558 1122548105 /nfs/dbraw/zinc/54/81/05/1122548105.db2.gz LZFLZTZVBWWIQW-UHFFFAOYSA-N 1 2 333.432 3.905 20 0 EHADLO CCCCCC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C)o1 ZINC000917170558 1122548111 /nfs/dbraw/zinc/54/81/11/1122548111.db2.gz LZFLZTZVBWWIQW-UHFFFAOYSA-N 1 2 333.432 3.905 20 0 EHADLO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2cccs2)oc1=O)c1ccccc1 ZINC000917432754 1122607203 /nfs/dbraw/zinc/60/72/03/1122607203.db2.gz QIJFBIIVBHEROQ-OAHLLOKOSA-N 1 2 343.452 3.899 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000917477367 1122612336 /nfs/dbraw/zinc/61/23/36/1122612336.db2.gz KKDOUNBVNOOFHP-UHFFFAOYSA-N 1 2 346.858 3.581 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000917477367 1122612341 /nfs/dbraw/zinc/61/23/41/1122612341.db2.gz KKDOUNBVNOOFHP-UHFFFAOYSA-N 1 2 346.858 3.581 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000917481917 1122614057 /nfs/dbraw/zinc/61/40/57/1122614057.db2.gz DSKXJWIBGFEBIR-OAHLLOKOSA-N 1 2 331.489 3.667 20 0 EHADLO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000917481917 1122614058 /nfs/dbraw/zinc/61/40/58/1122614058.db2.gz DSKXJWIBGFEBIR-OAHLLOKOSA-N 1 2 331.489 3.667 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](CN3CCSC3=O)CC2)cc1 ZINC000917467177 1122615779 /nfs/dbraw/zinc/61/57/79/1122615779.db2.gz JZBAHBVUQFYCKP-UHFFFAOYSA-N 1 2 334.485 3.780 20 0 EHADLO FCCn1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000922063904 1129070739 /nfs/dbraw/zinc/07/07/39/1129070739.db2.gz GGNLBSJKJGNRTE-UHFFFAOYSA-N 1 2 339.418 3.665 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)oc21 ZINC000497912993 1122699554 /nfs/dbraw/zinc/69/95/54/1122699554.db2.gz MSFZHMKRPALAHE-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO Cc1cccc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)oc21 ZINC000497912993 1122699557 /nfs/dbraw/zinc/69/95/57/1122699557.db2.gz MSFZHMKRPALAHE-GOSISDBHSA-N 1 2 334.419 3.870 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000444670109 1122718973 /nfs/dbraw/zinc/71/89/73/1122718973.db2.gz FAZGQIVZLPLFAM-LBPRGKRZSA-N 1 2 342.830 3.575 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1cccc(Oc2nccs2)c1 ZINC000154605573 1122730687 /nfs/dbraw/zinc/73/06/87/1122730687.db2.gz PJPWLRXLFAWPCK-UHFFFAOYSA-N 1 2 346.799 3.741 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000922072489 1129074347 /nfs/dbraw/zinc/07/43/47/1129074347.db2.gz KLWBHKCIUBIYMC-VIFPVBQESA-N 1 2 330.379 3.934 20 0 EHADLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC000918187132 1122774247 /nfs/dbraw/zinc/77/42/47/1122774247.db2.gz VUMDEVPUUHNGNF-HNNXBMFYSA-N 1 2 340.471 3.851 20 0 EHADLO COc1nsc(C[NH2+][C@@H]2CCCc3occc32)c1Br ZINC000638359084 1122885356 /nfs/dbraw/zinc/88/53/56/1122885356.db2.gz MGCFJBOQBOHXOC-SECBINFHSA-N 1 2 343.246 3.674 20 0 EHADLO COc1ccc(CCC[N@H+](C)Cn2sc3ccccc3c2=O)cc1 ZINC000918731497 1122900350 /nfs/dbraw/zinc/90/03/50/1122900350.db2.gz CYYLJQHEUYOCCK-UHFFFAOYSA-N 1 2 342.464 3.594 20 0 EHADLO COc1ccc(CCC[N@@H+](C)Cn2sc3ccccc3c2=O)cc1 ZINC000918731497 1122900353 /nfs/dbraw/zinc/90/03/53/1122900353.db2.gz CYYLJQHEUYOCCK-UHFFFAOYSA-N 1 2 342.464 3.594 20 0 EHADLO COc1cccc(C[C@H](C)CC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001127450916 1122934021 /nfs/dbraw/zinc/93/40/21/1122934021.db2.gz LFSBUGLZJQDQID-AWEZNQCLSA-N 1 2 341.455 3.672 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3cc(C4CC4)ccc3F)[nH+]c12 ZINC000556359635 1122942498 /nfs/dbraw/zinc/94/24/98/1122942498.db2.gz CJSXJYPPFHFKEE-UHFFFAOYSA-N 1 2 337.398 3.518 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccccc1 ZINC000130759972 1122995182 /nfs/dbraw/zinc/99/51/82/1122995182.db2.gz REHLMAPSRDIIFQ-UYAOXDASSA-N 1 2 338.451 3.628 20 0 EHADLO CC[C@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1nccs1 ZINC000130902895 1123020330 /nfs/dbraw/zinc/02/03/30/1123020330.db2.gz ICBWSBDFTDGXIY-AWEZNQCLSA-N 1 2 326.425 3.518 20 0 EHADLO C[C@@](Cc1ccccc1)(NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000556748984 1123100570 /nfs/dbraw/zinc/10/05/70/1123100570.db2.gz RUEOYAZBQTVSKB-NRFANRHFSA-N 1 2 348.450 3.545 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000072650820 1123137701 /nfs/dbraw/zinc/13/77/01/1123137701.db2.gz VYSLFHDDWPABOI-KRWDZBQOSA-N 1 2 338.451 3.651 20 0 EHADLO COC(=O)C1([N@H+](C)Cc2cc(C)ccc2OC(F)F)CCCC1 ZINC000556923892 1123212745 /nfs/dbraw/zinc/21/27/45/1123212745.db2.gz XADXIQPGYSFSIV-UHFFFAOYSA-N 1 2 327.371 3.514 20 0 EHADLO COC(=O)C1([N@@H+](C)Cc2cc(C)ccc2OC(F)F)CCCC1 ZINC000556923892 1123212746 /nfs/dbraw/zinc/21/27/46/1123212746.db2.gz XADXIQPGYSFSIV-UHFFFAOYSA-N 1 2 327.371 3.514 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000132321897 1123219336 /nfs/dbraw/zinc/21/93/36/1123219336.db2.gz YGFVMKNOPFUZAP-VQIMIIECSA-N 1 2 340.471 3.892 20 0 EHADLO CC(C)C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000073873321 1123226638 /nfs/dbraw/zinc/22/66/38/1123226638.db2.gz HLDJBQPYVSEVNS-MRXNPFEDSA-N 1 2 344.434 3.589 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cc3ccccc3o2)n1 ZINC000919993480 1123255395 /nfs/dbraw/zinc/25/53/95/1123255395.db2.gz YBWXBRMALANINU-UHFFFAOYSA-N 1 2 343.452 3.912 20 0 EHADLO CCOCCOC1C[NH+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000499231476 1123284636 /nfs/dbraw/zinc/28/46/36/1123284636.db2.gz VJXGZUOHKTVOHR-UHFFFAOYSA-N 1 2 341.451 3.600 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000074428512 1123301844 /nfs/dbraw/zinc/30/18/44/1123301844.db2.gz OWYVCEXVVYHHBN-SFHVURJKSA-N 1 2 329.488 3.905 20 0 EHADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1cccc(Br)c1 ZINC000347685160 1129116149 /nfs/dbraw/zinc/11/61/49/1129116149.db2.gz PCPFRNJHMDQMKE-UHFFFAOYSA-N 1 2 330.176 3.673 20 0 EHADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1cccc(Br)c1 ZINC000347685160 1129116152 /nfs/dbraw/zinc/11/61/52/1129116152.db2.gz PCPFRNJHMDQMKE-UHFFFAOYSA-N 1 2 330.176 3.673 20 0 EHADLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccccc1 ZINC000075615794 1123407233 /nfs/dbraw/zinc/40/72/33/1123407233.db2.gz CJTOJDQBVYQGRK-UHFFFAOYSA-N 1 2 346.496 3.760 20 0 EHADLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccccc1 ZINC000075615794 1123407234 /nfs/dbraw/zinc/40/72/34/1123407234.db2.gz CJTOJDQBVYQGRK-UHFFFAOYSA-N 1 2 346.496 3.760 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000920868252 1123434933 /nfs/dbraw/zinc/43/49/33/1123434933.db2.gz MIPWHMLPGWCYNV-GJZGRUSLSA-N 1 2 326.440 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000920868252 1123434936 /nfs/dbraw/zinc/43/49/36/1123434936.db2.gz MIPWHMLPGWCYNV-GJZGRUSLSA-N 1 2 326.440 3.666 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000133805414 1123438371 /nfs/dbraw/zinc/43/83/71/1123438371.db2.gz ZZBMZQGJLGAQIN-MRXNPFEDSA-N 1 2 343.446 3.727 20 0 EHADLO CCN(CC)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921204457 1123479095 /nfs/dbraw/zinc/47/90/95/1123479095.db2.gz WVQLDUIZYZCXMR-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO Cc1cc2[nH]c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2c(C)c1 ZINC000921204414 1123479230 /nfs/dbraw/zinc/47/92/30/1123479230.db2.gz UBEUBTXEBAKWSH-UHFFFAOYSA-N 1 2 344.418 3.900 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccccc1 ZINC000134501969 1123528533 /nfs/dbraw/zinc/52/85/33/1123528533.db2.gz GNPPBQLYBDPNGP-GOSISDBHSA-N 1 2 345.512 3.515 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccccc1 ZINC000134501969 1123528536 /nfs/dbraw/zinc/52/85/36/1123528536.db2.gz GNPPBQLYBDPNGP-GOSISDBHSA-N 1 2 345.512 3.515 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077348174 1123551362 /nfs/dbraw/zinc/55/13/62/1123551362.db2.gz ATBMUSXASVZJSF-MRXNPFEDSA-N 1 2 342.487 3.945 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)[C@@H]1C ZINC000174956098 1123561895 /nfs/dbraw/zinc/56/18/95/1123561895.db2.gz FNYKNVIBCHZOJJ-CHWSQXEVSA-N 1 2 332.473 3.621 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)[C@@H]1C ZINC000174956098 1123561901 /nfs/dbraw/zinc/56/19/01/1123561901.db2.gz FNYKNVIBCHZOJJ-CHWSQXEVSA-N 1 2 332.473 3.621 20 0 EHADLO COC(=O)C[N@H+](CCCc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000609386118 1123567647 /nfs/dbraw/zinc/56/76/47/1123567647.db2.gz DPHLIVRQVSIWAE-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO COC(=O)C[N@@H+](CCCc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000609386118 1123567651 /nfs/dbraw/zinc/56/76/51/1123567651.db2.gz DPHLIVRQVSIWAE-UHFFFAOYSA-N 1 2 333.378 3.573 20 0 EHADLO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000542622304 1123641409 /nfs/dbraw/zinc/64/14/09/1123641409.db2.gz KLYOYOIPPQLLES-RYRKJORJSA-N 1 2 343.471 3.906 20 0 EHADLO Nc1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc2ccccc12 ZINC000543032535 1129136998 /nfs/dbraw/zinc/13/69/98/1129136998.db2.gz RDUAFMREECYGSG-GOSISDBHSA-N 1 2 336.414 3.909 20 0 EHADLO Nc1nc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc2ccccc12 ZINC000543032535 1129136999 /nfs/dbraw/zinc/13/69/99/1129136999.db2.gz RDUAFMREECYGSG-GOSISDBHSA-N 1 2 336.414 3.909 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000136163935 1123673375 /nfs/dbraw/zinc/67/33/75/1123673375.db2.gz JFIWMZQOZNSCQB-PMACEKPBSA-N 1 2 345.446 3.957 20 0 EHADLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)ccc1OC1CCCC1 ZINC000079718517 1123715608 /nfs/dbraw/zinc/71/56/08/1123715608.db2.gz KDWYERASOQXOSN-UHFFFAOYSA-N 1 2 326.396 3.972 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025875 1123744926 /nfs/dbraw/zinc/74/49/26/1123744926.db2.gz GDQJWHIVVVBJGY-SJLPKXTDSA-N 1 2 344.503 3.792 20 0 EHADLO COc1cc(C[N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)ccc1O ZINC000080847847 1123766417 /nfs/dbraw/zinc/76/64/17/1123766417.db2.gz SGJSJXCBOLCBSQ-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)ccc1O ZINC000080847847 1123766424 /nfs/dbraw/zinc/76/64/24/1123766424.db2.gz SGJSJXCBOLCBSQ-UHFFFAOYSA-N 1 2 342.370 3.827 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)N1CCc2ccccc21 ZINC000615336466 1123783185 /nfs/dbraw/zinc/78/31/85/1123783185.db2.gz XPDVTUCDHYCGDG-CHWSQXEVSA-N 1 2 330.378 3.593 20 0 EHADLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000615454080 1123802951 /nfs/dbraw/zinc/80/29/51/1123802951.db2.gz RHGPFJDXPMFMIH-MRXNPFEDSA-N 1 2 340.442 3.907 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)c(C)c1 ZINC000615688977 1123857228 /nfs/dbraw/zinc/85/72/28/1123857228.db2.gz BJCKCSHFRODCNE-QGZVFWFLSA-N 1 2 340.471 3.903 20 0 EHADLO Cc1ccccc1NC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC000615881353 1123897793 /nfs/dbraw/zinc/89/77/93/1123897793.db2.gz OCWLMMHSSCSPGT-KRWDZBQOSA-N 1 2 340.471 3.684 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000245644343 1123907503 /nfs/dbraw/zinc/90/75/03/1123907503.db2.gz BUUDKIQDAODERR-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000245644343 1123907507 /nfs/dbraw/zinc/90/75/07/1123907507.db2.gz BUUDKIQDAODERR-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000138361753 1123908859 /nfs/dbraw/zinc/90/88/59/1123908859.db2.gz VWXKJZRBRHPDND-HNNXBMFYSA-N 1 2 327.255 3.751 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000138361753 1123908861 /nfs/dbraw/zinc/90/88/61/1123908861.db2.gz VWXKJZRBRHPDND-HNNXBMFYSA-N 1 2 327.255 3.751 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000068373444 1123928805 /nfs/dbraw/zinc/92/88/05/1123928805.db2.gz IDTHTPLIUPYUJX-UHFFFAOYSA-N 1 2 346.427 3.616 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1C1CCCCC1 ZINC000616094715 1123941508 /nfs/dbraw/zinc/94/15/08/1123941508.db2.gz WVZIJYNCMDCFDY-QGZVFWFLSA-N 1 2 330.476 3.638 20 0 EHADLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245929536 1123983657 /nfs/dbraw/zinc/98/36/57/1123983657.db2.gz YFGWWSPYPLWXHT-ZIAGYGMSSA-N 1 2 345.443 3.590 20 0 EHADLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245929536 1123983660 /nfs/dbraw/zinc/98/36/60/1123983660.db2.gz YFGWWSPYPLWXHT-ZIAGYGMSSA-N 1 2 345.443 3.590 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1c(-c2ccccn2)csc1=O ZINC000068613963 1123990363 /nfs/dbraw/zinc/99/03/63/1123990363.db2.gz SIOALDRNGUMWEG-UHFFFAOYSA-N 1 2 339.464 3.760 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1c(-c2ccccn2)csc1=O ZINC000068613963 1123990367 /nfs/dbraw/zinc/99/03/67/1123990367.db2.gz SIOALDRNGUMWEG-UHFFFAOYSA-N 1 2 339.464 3.760 20 0 EHADLO Brc1cncc(Br)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001137542540 1123990858 /nfs/dbraw/zinc/99/08/58/1123990858.db2.gz TZRCKALDNCWMIM-DTWKUNHWSA-N 1 2 346.066 3.591 20 0 EHADLO Brc1cncc(Br)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001137542540 1123990861 /nfs/dbraw/zinc/99/08/61/1123990861.db2.gz TZRCKALDNCWMIM-DTWKUNHWSA-N 1 2 346.066 3.591 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]Cc3cc(C4CC4)ccc3F)cs2)n1 ZINC000922152053 1129165812 /nfs/dbraw/zinc/16/58/12/1129165812.db2.gz WSXQNYZRAARCJH-UHFFFAOYSA-N 1 2 342.443 3.850 20 0 EHADLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000069246665 1124578421 /nfs/dbraw/zinc/57/84/21/1124578421.db2.gz IBBANPXWEXDZKG-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO Clc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000069246665 1124578432 /nfs/dbraw/zinc/57/84/32/1124578432.db2.gz IBBANPXWEXDZKG-HNNXBMFYSA-N 1 2 330.815 3.843 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)cs1 ZINC000247218873 1124596076 /nfs/dbraw/zinc/59/60/76/1124596076.db2.gz BMWQELDOCOLKSF-SOUVJXGZSA-N 1 2 345.512 3.665 20 0 EHADLO Cc1ccc(F)cc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000247921443 1124629474 /nfs/dbraw/zinc/62/94/74/1124629474.db2.gz NXPPLOOSNLFVGD-YVMONPNESA-N 1 2 338.426 3.605 20 0 EHADLO Cc1ccc2c(c1)CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000617605492 1124684369 /nfs/dbraw/zinc/68/43/69/1124684369.db2.gz QNIYBDFKDILIDW-FQEVSTJZSA-N 1 2 345.446 3.825 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cccc(-c2ccoc2)c1 ZINC000089818301 1124857547 /nfs/dbraw/zinc/85/75/47/1124857547.db2.gz KFGIQRZMYAJFKA-UHFFFAOYSA-N 1 2 335.407 3.964 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000763495779 1124916760 /nfs/dbraw/zinc/91/67/60/1124916760.db2.gz NEZGMASCAKNRLF-GWHHBTOMSA-N 1 2 348.661 3.705 20 0 EHADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763495779 1124916766 /nfs/dbraw/zinc/91/67/66/1124916766.db2.gz NEZGMASCAKNRLF-GWHHBTOMSA-N 1 2 348.661 3.705 20 0 EHADLO CCCc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000252009568 1124963046 /nfs/dbraw/zinc/96/30/46/1124963046.db2.gz RBDJMSJXCASNJL-UHFFFAOYSA-N 1 2 342.508 3.967 20 0 EHADLO Brc1ccoc1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000735323342 1131332587 /nfs/dbraw/zinc/33/25/87/1131332587.db2.gz VCZBXNWISQRCHF-UHFFFAOYSA-N 1 2 337.217 3.516 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093235078 1125209381 /nfs/dbraw/zinc/20/93/81/1125209381.db2.gz FBAGLLPJRYHIQF-PXNSSMCTSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)c1ccccc1 ZINC000093235078 1125209384 /nfs/dbraw/zinc/20/93/84/1125209384.db2.gz FBAGLLPJRYHIQF-PXNSSMCTSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152696217 1125370369 /nfs/dbraw/zinc/37/03/69/1125370369.db2.gz WYIMSSYYVAXAMP-SJLPKXTDSA-N 1 2 331.504 3.947 20 0 EHADLO C[C@@H](C[N@H+](C)CN1c2cccc3cccc(c23)C1=O)c1nccs1 ZINC000182842541 1125378713 /nfs/dbraw/zinc/37/87/13/1125378713.db2.gz ARMBZPXCNYNQBS-ZDUSSCGKSA-N 1 2 337.448 3.950 20 0 EHADLO C[C@@H](C[N@@H+](C)CN1c2cccc3cccc(c23)C1=O)c1nccs1 ZINC000182842541 1125378717 /nfs/dbraw/zinc/37/87/17/1125378717.db2.gz ARMBZPXCNYNQBS-ZDUSSCGKSA-N 1 2 337.448 3.950 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)[C@@H]1C ZINC000172862171 1129203487 /nfs/dbraw/zinc/20/34/87/1129203487.db2.gz PFVQJOHOISCXRL-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)[C@@H]1C ZINC000172862171 1129203489 /nfs/dbraw/zinc/20/34/89/1129203489.db2.gz PFVQJOHOISCXRL-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO CCn1c(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)nc2ccccc21 ZINC000682166291 1129211080 /nfs/dbraw/zinc/21/10/80/1129211080.db2.gz DOVORDBGSLDCCQ-MRXNPFEDSA-N 1 2 341.377 3.600 20 0 EHADLO CCn1c(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)nc2ccccc21 ZINC000682166291 1129211082 /nfs/dbraw/zinc/21/10/82/1129211082.db2.gz DOVORDBGSLDCCQ-MRXNPFEDSA-N 1 2 341.377 3.600 20 0 EHADLO Cn1c[nH+]cc1CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000357301258 1129232132 /nfs/dbraw/zinc/23/21/32/1129232132.db2.gz QWFGBXWFDFIKIB-FQEVSTJZSA-N 1 2 344.418 3.615 20 0 EHADLO Brc1ccc(-c2ccc(C[NH2+]Cc3cc[nH]n3)o2)cc1 ZINC000066990836 1129232760 /nfs/dbraw/zinc/23/27/60/1129232760.db2.gz WGNXIEVNZYQMCW-UHFFFAOYSA-N 1 2 332.201 3.722 20 0 EHADLO O=C(C[C@H]1CCc2ccccc21)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000115209876 1129246594 /nfs/dbraw/zinc/24/65/94/1129246594.db2.gz MDAFZQULRJPLNT-LJQANCHMSA-N 1 2 349.478 3.808 20 0 EHADLO COc1cccc2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)oc21 ZINC000079217551 1129248276 /nfs/dbraw/zinc/24/82/76/1129248276.db2.gz PHTHWNZKHPJPQM-UHFFFAOYSA-N 1 2 333.347 3.879 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000067744368 1129302523 /nfs/dbraw/zinc/30/25/23/1129302523.db2.gz UUDVBFFPAXAZJH-UHFFFAOYSA-N 1 2 335.234 3.739 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000068097108 1129342190 /nfs/dbraw/zinc/34/21/90/1129342190.db2.gz WHSSDWOSVMOZNR-KRWDZBQOSA-N 1 2 347.462 3.914 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000068254688 1129355908 /nfs/dbraw/zinc/35/59/08/1129355908.db2.gz BDUBESXSDRDMOT-ZWKOTPCHSA-N 1 2 340.854 3.576 20 0 EHADLO CCC[C@@H](C)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548587 1129363513 /nfs/dbraw/zinc/36/35/13/1129363513.db2.gz BUZVUBIVYFEANG-NVXWUHKLSA-N 1 2 328.460 3.534 20 0 EHADLO CC[C@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000080548945 1129364325 /nfs/dbraw/zinc/36/43/25/1129364325.db2.gz ALPWIBSCCXSVDO-FUHWJXTLSA-N 1 2 340.471 3.536 20 0 EHADLO FC(F)(F)c1ccc(C2([NH2+]Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000657503735 1129385316 /nfs/dbraw/zinc/38/53/16/1129385316.db2.gz TYFKFRGXIIMDTB-UHFFFAOYSA-N 1 2 336.361 3.801 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1F ZINC000922242132 1129390739 /nfs/dbraw/zinc/39/07/39/1129390739.db2.gz DGRXBWYVBSQBGR-AWEZNQCLSA-N 1 2 326.213 3.798 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000922269281 1129420240 /nfs/dbraw/zinc/42/02/40/1129420240.db2.gz MFIUZKXEMTXHCX-HNNXBMFYSA-N 1 2 341.846 3.588 20 0 EHADLO O=C(CCC1CCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470698 1129442711 /nfs/dbraw/zinc/44/27/11/1129442711.db2.gz DCRVGSBNFYTICE-UHFFFAOYSA-N 1 2 349.544 3.968 20 0 EHADLO CCc1cc(N(Cc2cccc(OC)c2)C[C@H]2CCCO2)nc(C)[nH+]1 ZINC000359734289 1129483983 /nfs/dbraw/zinc/48/39/83/1129483983.db2.gz VVLIIWYTLACQIV-LJQANCHMSA-N 1 2 341.455 3.542 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](CCOC1CCCCCC1)C2 ZINC000481260232 1129516275 /nfs/dbraw/zinc/51/62/75/1129516275.db2.gz SDBZSJLARQQUDX-UHFFFAOYSA-N 1 2 339.483 3.970 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](CCOC1CCCCCC1)C2 ZINC000481260232 1129516277 /nfs/dbraw/zinc/51/62/77/1129516277.db2.gz SDBZSJLARQQUDX-UHFFFAOYSA-N 1 2 339.483 3.970 20 0 EHADLO CC(C)(C)C(=O)c1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000428873828 1129559737 /nfs/dbraw/zinc/55/97/37/1129559737.db2.gz WSZFOZVDJROVTN-UHFFFAOYSA-N 1 2 340.427 3.544 20 0 EHADLO Cn1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(-c2cccs2)n1 ZINC000922521113 1129560983 /nfs/dbraw/zinc/56/09/83/1129560983.db2.gz SNCSYTMJLGSCJK-RDTXWAMCSA-N 1 2 343.427 3.710 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521673 1129561397 /nfs/dbraw/zinc/56/13/97/1129561397.db2.gz MEZASUMNDIYAOU-ADLFWFRXSA-N 1 2 345.414 3.662 20 0 EHADLO Fc1cc(Br)cc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000922576516 1129578314 /nfs/dbraw/zinc/57/83/14/1129578314.db2.gz BQRPJKOCEFSMTB-CQSZACIVSA-N 1 2 336.208 3.619 20 0 EHADLO Fc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc(C(F)(F)F)c1 ZINC000922582337 1129581351 /nfs/dbraw/zinc/58/13/51/1129581351.db2.gz ZTKFRXWQJCKVCM-CQSZACIVSA-N 1 2 325.309 3.875 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168729669 1129596519 /nfs/dbraw/zinc/59/65/19/1129596519.db2.gz JGCMCGGTLGCFGS-LBPRGKRZSA-N 1 2 341.263 3.842 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2OC2CCC2)nn1 ZINC000673602249 1129608333 /nfs/dbraw/zinc/60/83/33/1129608333.db2.gz WGPHDBQNZJVVNE-UHFFFAOYSA-N 1 2 348.450 3.797 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000922633855 1129608383 /nfs/dbraw/zinc/60/83/83/1129608383.db2.gz FISWAJXTPJGVIV-OAHLLOKOSA-N 1 2 336.439 3.650 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000922713092 1129637209 /nfs/dbraw/zinc/63/72/09/1129637209.db2.gz KTWANPOWIFYHML-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO COc1c(Cl)cc(NC(=O)CCCn2cc[nH+]c2)cc1Cl ZINC000624967511 1129649706 /nfs/dbraw/zinc/64/97/06/1129649706.db2.gz QJJMCKHOHJMRTP-UHFFFAOYSA-N 1 2 328.199 3.617 20 0 EHADLO CC[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000922763854 1129655044 /nfs/dbraw/zinc/65/50/44/1129655044.db2.gz JYMWSUZULVDVDF-KRWDZBQOSA-N 1 2 330.476 3.636 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ncc(CN(C)C)s2)C2CCC2)cc1 ZINC000922890224 1129748328 /nfs/dbraw/zinc/74/83/28/1129748328.db2.gz YRZKCXCXTVKSRX-IBGZPJMESA-N 1 2 345.512 3.844 20 0 EHADLO Clc1cccc2c1C[C@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001168739284 1129775825 /nfs/dbraw/zinc/77/58/25/1129775825.db2.gz NWUJLQZQPBRRER-SJLPKXTDSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1cccc2c1C[C@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001168739284 1129775830 /nfs/dbraw/zinc/77/58/30/1129775830.db2.gz NWUJLQZQPBRRER-SJLPKXTDSA-N 1 2 343.854 3.587 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@H]3CCCC34CCOCC4)cc2)CCO1 ZINC000282428636 1129789614 /nfs/dbraw/zinc/78/96/14/1129789614.db2.gz DALNVUADUQPUAB-LPHOPBHVSA-N 1 2 330.472 3.673 20 0 EHADLO C[Si](C)(C)CCCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168741130 1129805557 /nfs/dbraw/zinc/80/55/57/1129805557.db2.gz BTDLGHDQJPLOJN-INIZCTEOSA-N 1 2 338.955 3.931 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CCc3cccc(Cl)c3)[nH+]c12 ZINC000673724611 1129811676 /nfs/dbraw/zinc/81/16/76/1129811676.db2.gz MSIAEWQOANVCMS-UHFFFAOYSA-N 1 2 341.842 3.588 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673726934 1129813671 /nfs/dbraw/zinc/81/36/71/1129813671.db2.gz MRVMIAACKMRYPO-UHFFFAOYSA-N 1 2 335.451 3.588 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000455225534 1129839192 /nfs/dbraw/zinc/83/91/92/1129839192.db2.gz QVWZVKJGMVZLGH-ZACQAIPSSA-N 1 2 332.492 3.526 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(CC(C)C)C3CCCC3)[nH+]c12 ZINC000673778353 1129845213 /nfs/dbraw/zinc/84/52/13/1129845213.db2.gz ZAOPMIXMMDDBQM-UHFFFAOYSA-N 1 2 342.487 3.795 20 0 EHADLO Clc1ccccc1-c1csc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625436466 1129871928 /nfs/dbraw/zinc/87/19/28/1129871928.db2.gz HJNVLCAQRQCBDU-UHFFFAOYSA-N 1 2 330.844 3.745 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1nc(-c2ccncc2)cs1 ZINC000347833686 1129903356 /nfs/dbraw/zinc/90/33/56/1129903356.db2.gz DFKMYVUJMZPPKO-ZDUSSCGKSA-N 1 2 349.463 3.943 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ncc(Cl)s1)c1cccc(Cl)c1 ZINC000673938059 1129911488 /nfs/dbraw/zinc/91/14/88/1129911488.db2.gz KGQQJBGWXWRPQK-NSHDSACASA-N 1 2 330.240 3.691 20 0 EHADLO CC(C)(C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000466577078 1129941344 /nfs/dbraw/zinc/94/13/44/1129941344.db2.gz JJZOLTPEMCBDSR-CQSZACIVSA-N 1 2 341.858 3.541 20 0 EHADLO CC(C)(C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000466577078 1129941346 /nfs/dbraw/zinc/94/13/46/1129941346.db2.gz JJZOLTPEMCBDSR-CQSZACIVSA-N 1 2 341.858 3.541 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673989992 1129942025 /nfs/dbraw/zinc/94/20/25/1129942025.db2.gz YZFPIXCZSXXJET-HNNXBMFYSA-N 1 2 337.379 3.746 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008509 1129956333 /nfs/dbraw/zinc/95/63/33/1129956333.db2.gz BXKARZGVFUSRFC-AUUYWEPGSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008509 1129956338 /nfs/dbraw/zinc/95/63/38/1129956338.db2.gz BXKARZGVFUSRFC-AUUYWEPGSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010959 1129958572 /nfs/dbraw/zinc/95/85/72/1129958572.db2.gz CFHQNWQFXZBMJK-FZKQIMNGSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010959 1129958574 /nfs/dbraw/zinc/95/85/74/1129958574.db2.gz CFHQNWQFXZBMJK-FZKQIMNGSA-N 1 2 346.833 3.931 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625654915 1129967342 /nfs/dbraw/zinc/96/73/42/1129967342.db2.gz IRGIDELCCVTHHZ-CQSZACIVSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625654915 1129967345 /nfs/dbraw/zinc/96/73/45/1129967345.db2.gz IRGIDELCCVTHHZ-CQSZACIVSA-N 1 2 334.414 3.691 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387571 1129985250 /nfs/dbraw/zinc/98/52/50/1129985250.db2.gz DMXOHAWRHPJPOH-BETUJISGSA-N 1 2 343.298 3.930 20 0 EHADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000059387571 1129985254 /nfs/dbraw/zinc/98/52/54/1129985254.db2.gz DMXOHAWRHPJPOH-BETUJISGSA-N 1 2 343.298 3.930 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000625724448 1129995037 /nfs/dbraw/zinc/99/50/37/1129995037.db2.gz GXNZONHZOHSKOG-UHFFFAOYSA-N 1 2 334.213 3.549 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](CCOc1cccc(Br)c1)C2 ZINC000625724448 1129995041 /nfs/dbraw/zinc/99/50/41/1129995041.db2.gz GXNZONHZOHSKOG-UHFFFAOYSA-N 1 2 334.213 3.549 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CCCC1 ZINC000674076725 1129998172 /nfs/dbraw/zinc/99/81/72/1129998172.db2.gz OSCOXFRFXQEEQG-IEODJVTJSA-N 1 2 326.484 3.670 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1cccc(F)c1 ZINC000171049614 1130004488 /nfs/dbraw/zinc/00/44/88/1130004488.db2.gz FKBLJZYCNTYVRL-HXUWFJFHSA-N 1 2 349.409 3.714 20 0 EHADLO Cc1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)cc[nH+]1 ZINC000171107780 1130011859 /nfs/dbraw/zinc/01/18/59/1130011859.db2.gz BONAOVONFCDHFK-UHFFFAOYSA-N 1 2 327.384 3.829 20 0 EHADLO C[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)s1 ZINC000674239425 1130035679 /nfs/dbraw/zinc/03/56/79/1130035679.db2.gz VZCURPVBJPNLBJ-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000528573789 1130038562 /nfs/dbraw/zinc/03/85/62/1130038562.db2.gz GIAIZXUIEWIAMU-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2cccc(Cl)c2)CCC1 ZINC000674362028 1130075344 /nfs/dbraw/zinc/07/53/44/1130075344.db2.gz NPMRRUBDGNUGSQ-UHFFFAOYSA-N 1 2 343.858 3.891 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2cccc(Cl)c2)CCC1 ZINC000674362028 1130075350 /nfs/dbraw/zinc/07/53/50/1130075350.db2.gz NPMRRUBDGNUGSQ-UHFFFAOYSA-N 1 2 343.858 3.891 20 0 EHADLO Cc1ccc(CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000674394592 1130084549 /nfs/dbraw/zinc/08/45/49/1130084549.db2.gz VBIUWXIQQYOHLK-UHFFFAOYSA-N 1 2 340.471 3.548 20 0 EHADLO Cc1ccc(CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)c1 ZINC000674394592 1130084554 /nfs/dbraw/zinc/08/45/54/1130084554.db2.gz VBIUWXIQQYOHLK-UHFFFAOYSA-N 1 2 340.471 3.548 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N(CCC(F)(F)F)CC1CC1 ZINC000674569083 1130135201 /nfs/dbraw/zinc/13/52/01/1130135201.db2.gz RSKMFDHGOPXYGG-UHFFFAOYSA-N 1 2 326.322 3.531 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000658118673 1130169321 /nfs/dbraw/zinc/16/93/21/1130169321.db2.gz ILCNYEJTWISOJY-GFCCVEGCSA-N 1 2 332.469 3.890 20 0 EHADLO C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc2ccccc2c1 ZINC000674667510 1130169842 /nfs/dbraw/zinc/16/98/42/1130169842.db2.gz HSCXWAHMWIBFJV-OAHLLOKOSA-N 1 2 332.403 3.628 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000674672630 1130174011 /nfs/dbraw/zinc/17/40/11/1130174011.db2.gz KVYVXTJXXAEHLA-NRFANRHFSA-N 1 2 337.467 3.560 20 0 EHADLO CC1(C)CC(C[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CC(C)(C)C1 ZINC000658174701 1130231602 /nfs/dbraw/zinc/23/16/02/1130231602.db2.gz ZMNJEFMUULKRDE-MRXNPFEDSA-N 1 2 327.476 3.731 20 0 EHADLO CCCCc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675255840 1130298798 /nfs/dbraw/zinc/29/87/98/1130298798.db2.gz SXUXZLAFYLAFLI-VQIMIIECSA-N 1 2 325.456 3.949 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)c2nnc[nH]2)C12CCC2 ZINC000658254752 1130318875 /nfs/dbraw/zinc/31/88/75/1130318875.db2.gz QKYVIUIGAIMSKU-RRFJBIMHSA-N 1 2 346.500 3.672 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000174213955 1130342169 /nfs/dbraw/zinc/34/21/69/1130342169.db2.gz UJQRBPWFXKBRFO-BXWFABGCSA-N 1 2 338.455 3.907 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156471 1130374646 /nfs/dbraw/zinc/37/46/46/1130374646.db2.gz PDLBSQPVARAYKR-BPRAZLKKSA-N 1 2 343.515 3.947 20 0 EHADLO Cc1nc(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000675548310 1130425995 /nfs/dbraw/zinc/42/59/95/1130425995.db2.gz LBOKDBCANBIAPW-PHIMTYICSA-N 1 2 341.299 3.969 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)cs1 ZINC000675643983 1130438226 /nfs/dbraw/zinc/43/82/26/1130438226.db2.gz PXNGWDAJUKJIAH-QGZVFWFLSA-N 1 2 329.469 3.857 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)cs1 ZINC000675643983 1130438231 /nfs/dbraw/zinc/43/82/31/1130438231.db2.gz PXNGWDAJUKJIAH-QGZVFWFLSA-N 1 2 329.469 3.857 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc(F)c(F)cc3F)ccc21 ZINC001129120188 1130506500 /nfs/dbraw/zinc/50/65/00/1130506500.db2.gz MMOKCWXSSQUWKX-UHFFFAOYSA-N 1 2 345.324 3.970 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000675944264 1130508166 /nfs/dbraw/zinc/50/81/66/1130508166.db2.gz XGZNIDIQMINTAU-UHFFFAOYSA-N 1 2 331.419 3.920 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1C ZINC000675976996 1130514548 /nfs/dbraw/zinc/51/45/48/1130514548.db2.gz TUXCYYVYCOFEJO-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO COc1cc(Br)c(C[NH2+]Cc2ccoc2C)c(OC)c1 ZINC000676198394 1130545662 /nfs/dbraw/zinc/54/56/62/1130545662.db2.gz AKENEUTYILDXAB-UHFFFAOYSA-N 1 2 340.217 3.658 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)on2)cc1OC ZINC000676194609 1130546295 /nfs/dbraw/zinc/54/62/95/1130546295.db2.gz AZXNQPXACQTGQX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)on2)cc1OC ZINC000676194609 1130546299 /nfs/dbraw/zinc/54/62/99/1130546299.db2.gz AZXNQPXACQTGQX-UHFFFAOYSA-N 1 2 338.407 3.991 20 0 EHADLO CC(C)C(NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000676263064 1130552641 /nfs/dbraw/zinc/55/26/41/1130552641.db2.gz RTZDKAWOULUHQL-INIZCTEOSA-N 1 2 347.503 3.882 20 0 EHADLO Cc1ccc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)s1 ZINC000706033938 1130553218 /nfs/dbraw/zinc/55/32/18/1130553218.db2.gz WRQBWEDCSZJXSK-SWLSCSKDSA-N 1 2 329.425 3.712 20 0 EHADLO Cc1ccsc1-c1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000706036102 1130553738 /nfs/dbraw/zinc/55/37/38/1130553738.db2.gz PSYHPYACBFHFJL-GXTWGEPZSA-N 1 2 329.425 3.712 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535304860 1130590538 /nfs/dbraw/zinc/59/05/38/1130590538.db2.gz VDAIAEOKLDDOER-SFHVURJKSA-N 1 2 337.423 3.588 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535304860 1130590543 /nfs/dbraw/zinc/59/05/43/1130590543.db2.gz VDAIAEOKLDDOER-SFHVURJKSA-N 1 2 337.423 3.588 20 0 EHADLO CC(C)(C)n1cnn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000727818044 1130600364 /nfs/dbraw/zinc/60/03/64/1130600364.db2.gz CWRUMESLIUOTLQ-INIZCTEOSA-N 1 2 348.491 3.973 20 0 EHADLO CC(C)(C)n1cnn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000727818044 1130600368 /nfs/dbraw/zinc/60/03/68/1130600368.db2.gz CWRUMESLIUOTLQ-INIZCTEOSA-N 1 2 348.491 3.973 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000728043366 1130621110 /nfs/dbraw/zinc/62/11/10/1130621110.db2.gz FGMWIIPUNZTWIL-JSGCOSHPSA-N 1 2 334.510 3.891 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000728043366 1130621112 /nfs/dbraw/zinc/62/11/12/1130621112.db2.gz FGMWIIPUNZTWIL-JSGCOSHPSA-N 1 2 334.510 3.891 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCCC3)n2)c(C)c1 ZINC000029117844 1130647059 /nfs/dbraw/zinc/64/70/59/1130647059.db2.gz BNUWFFRCVPYRBY-UHFFFAOYSA-N 1 2 329.469 3.770 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCc3ccc(C)cc32)c1C ZINC000730126150 1130674608 /nfs/dbraw/zinc/67/46/08/1130674608.db2.gz SOHQPCJOZDHNSK-KRWDZBQOSA-N 1 2 339.439 3.502 20 0 EHADLO CC[C@](C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000730763449 1130736537 /nfs/dbraw/zinc/73/65/37/1130736537.db2.gz BJJAXPJUNUBYAO-NRFANRHFSA-N 1 2 333.435 3.987 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1ccc(Br)cc1 ZINC000731028811 1130761575 /nfs/dbraw/zinc/76/15/75/1130761575.db2.gz JSNOXVIAMRZJGX-UHFFFAOYSA-N 1 2 325.231 3.752 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2ccc(-c3cccs3)n2)cc1F ZINC000731657119 1130823583 /nfs/dbraw/zinc/82/35/83/1130823583.db2.gz AZPZDRWSJDJKGR-UHFFFAOYSA-N 1 2 331.416 3.849 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2ccc(-c3cccs3)n2)cc1F ZINC000731657119 1130823589 /nfs/dbraw/zinc/82/35/89/1130823589.db2.gz AZPZDRWSJDJKGR-UHFFFAOYSA-N 1 2 331.416 3.849 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732061224 1130882250 /nfs/dbraw/zinc/88/22/50/1130882250.db2.gz JVILTIXMEAYQGS-GOSISDBHSA-N 1 2 336.439 3.723 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@@H](C)c3cccc(O)c3)cc12 ZINC000732204121 1130900741 /nfs/dbraw/zinc/90/07/41/1130900741.db2.gz PWWBTOIIOYLLFR-LBPRGKRZSA-N 1 2 344.846 3.829 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@@H](C)c3cccc(O)c3)cc12 ZINC000732204121 1130900749 /nfs/dbraw/zinc/90/07/49/1130900749.db2.gz PWWBTOIIOYLLFR-LBPRGKRZSA-N 1 2 344.846 3.829 20 0 EHADLO COc1ccccc1C=C(C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000732766842 1130955461 /nfs/dbraw/zinc/95/54/61/1130955461.db2.gz YOXFWMYLQQDEKZ-HKWRFOASSA-N 1 2 344.414 4.000 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000732985755 1130978256 /nfs/dbraw/zinc/97/82/56/1130978256.db2.gz HAHZDCDFGUFIBC-SFHVURJKSA-N 1 2 336.426 3.941 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000732985755 1130978261 /nfs/dbraw/zinc/97/82/61/1130978261.db2.gz HAHZDCDFGUFIBC-SFHVURJKSA-N 1 2 336.426 3.941 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989107 1130980019 /nfs/dbraw/zinc/98/00/19/1130980019.db2.gz ODXBDVKMMODETM-YJBOKZPZSA-N 1 2 336.426 3.893 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732989107 1130980022 /nfs/dbraw/zinc/98/00/22/1130980022.db2.gz ODXBDVKMMODETM-YJBOKZPZSA-N 1 2 336.426 3.893 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)oc1C ZINC000732989944 1130980397 /nfs/dbraw/zinc/98/03/97/1130980397.db2.gz XWQCMWXWBZHQSG-KRWDZBQOSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)oc1C ZINC000732989944 1130980403 /nfs/dbraw/zinc/98/04/03/1130980403.db2.gz XWQCMWXWBZHQSG-KRWDZBQOSA-N 1 2 335.350 3.990 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000733030244 1130983604 /nfs/dbraw/zinc/98/36/04/1130983604.db2.gz RNXQNYCLPZCNQR-SFHVURJKSA-N 1 2 336.426 3.893 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000733030244 1130983608 /nfs/dbraw/zinc/98/36/08/1130983608.db2.gz RNXQNYCLPZCNQR-SFHVURJKSA-N 1 2 336.426 3.893 20 0 EHADLO CC(C)c1cnc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000733303667 1131019419 /nfs/dbraw/zinc/01/94/19/1131019419.db2.gz BEYHRPPRCOFILC-RMKNXTFCSA-N 1 2 325.456 3.629 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cnn1C ZINC000348010440 1131126465 /nfs/dbraw/zinc/12/64/65/1131126465.db2.gz RUCVJJRSCQTIIK-MNOVXSKESA-N 1 2 345.834 3.844 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Br)s1 ZINC000282632393 1131127465 /nfs/dbraw/zinc/12/74/65/1131127465.db2.gz JUFNLYIJDHVUGT-SECBINFHSA-N 1 2 343.294 3.708 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)n1 ZINC000348093671 1131150184 /nfs/dbraw/zinc/15/01/84/1131150184.db2.gz UMGFGTQGKASFNZ-CYBMUJFWSA-N 1 2 333.395 3.544 20 0 EHADLO Fc1ccc(C[C@@H]2CC[N@H+](Cn3nc4ccccn4c3=S)C2)cc1 ZINC000736590327 1131427074 /nfs/dbraw/zinc/42/70/74/1131427074.db2.gz TVBGTJTUPOPAPC-HNNXBMFYSA-N 1 2 342.443 3.526 20 0 EHADLO Fc1ccc(C[C@@H]2CC[N@@H+](Cn3nc4ccccn4c3=S)C2)cc1 ZINC000736590327 1131427075 /nfs/dbraw/zinc/42/70/75/1131427075.db2.gz TVBGTJTUPOPAPC-HNNXBMFYSA-N 1 2 342.443 3.526 20 0 EHADLO CC[N@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CCC1 ZINC000738053371 1131460925 /nfs/dbraw/zinc/46/09/25/1131460925.db2.gz KTZJYUDKQYFXKY-UHFFFAOYSA-N 1 2 332.473 3.765 20 0 EHADLO CC[N@@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CCC1 ZINC000738053371 1131460927 /nfs/dbraw/zinc/46/09/27/1131460927.db2.gz KTZJYUDKQYFXKY-UHFFFAOYSA-N 1 2 332.473 3.765 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052653 1131461187 /nfs/dbraw/zinc/46/11/87/1131461187.db2.gz DOOIUIFOXVFPOC-CJNGLKHVSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000738052653 1131461190 /nfs/dbraw/zinc/46/11/90/1131461190.db2.gz DOOIUIFOXVFPOC-CJNGLKHVSA-N 1 2 333.407 3.501 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 ZINC000738253480 1131464513 /nfs/dbraw/zinc/46/45/13/1131464513.db2.gz GMUTZRMKDZKOGO-HNNXBMFYSA-N 1 2 346.500 3.881 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 ZINC000738253480 1131464515 /nfs/dbraw/zinc/46/45/15/1131464515.db2.gz GMUTZRMKDZKOGO-HNNXBMFYSA-N 1 2 346.500 3.881 20 0 EHADLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)CC1 ZINC000738239618 1131465361 /nfs/dbraw/zinc/46/53/61/1131465361.db2.gz MHUOGDIPULYFFU-CQSZACIVSA-N 1 2 332.473 3.983 20 0 EHADLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)CC1 ZINC000738239618 1131465363 /nfs/dbraw/zinc/46/53/63/1131465363.db2.gz MHUOGDIPULYFFU-CQSZACIVSA-N 1 2 332.473 3.983 20 0 EHADLO COC[C@@H]1CC[N@H+](Cn2nc(-c3c(C)cc(C)cc3C)oc2=S)C1 ZINC000739869340 1131512014 /nfs/dbraw/zinc/51/20/14/1131512014.db2.gz HEPYFCNIGRXGLF-OAHLLOKOSA-N 1 2 347.484 3.724 20 0 EHADLO COC[C@@H]1CC[N@@H+](Cn2nc(-c3c(C)cc(C)cc3C)oc2=S)C1 ZINC000739869340 1131512017 /nfs/dbraw/zinc/51/20/17/1131512017.db2.gz HEPYFCNIGRXGLF-OAHLLOKOSA-N 1 2 347.484 3.724 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCCOc1ccc(F)cc1)c1ccccc1 ZINC000741149183 1131583951 /nfs/dbraw/zinc/58/39/51/1131583951.db2.gz MSHHKNHXPICXTF-LJQANCHMSA-N 1 2 345.414 3.831 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCCOc1ccc(F)cc1)c1ccccc1 ZINC000741149183 1131583953 /nfs/dbraw/zinc/58/39/53/1131583953.db2.gz MSHHKNHXPICXTF-LJQANCHMSA-N 1 2 345.414 3.831 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777931 1131645882 /nfs/dbraw/zinc/64/58/82/1131645882.db2.gz FSDNVSIWETWOIB-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000741777931 1131645886 /nfs/dbraw/zinc/64/58/86/1131645886.db2.gz FSDNVSIWETWOIB-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000180222967 1131671955 /nfs/dbraw/zinc/67/19/55/1131671955.db2.gz IVYSTSITYSQPCU-MNOVXSKESA-N 1 2 327.350 3.855 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000742237770 1131699666 /nfs/dbraw/zinc/69/96/66/1131699666.db2.gz OTMIDHZHHZBHSQ-QPJJXVBHSA-N 1 2 342.817 3.541 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000742237770 1131699668 /nfs/dbraw/zinc/69/96/68/1131699668.db2.gz OTMIDHZHHZBHSQ-QPJJXVBHSA-N 1 2 342.817 3.541 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(-c4cccc(F)c4)ccn3)cc2)C1 ZINC001212664301 1131755799 /nfs/dbraw/zinc/75/57/99/1131755799.db2.gz HIUKYGKTJKQAJL-UHFFFAOYSA-N 1 2 349.409 3.808 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000742610621 1131760168 /nfs/dbraw/zinc/76/01/68/1131760168.db2.gz MZMDGFAALCNGHJ-LJQANCHMSA-N 1 2 326.525 3.600 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000742610621 1131760170 /nfs/dbraw/zinc/76/01/70/1131760170.db2.gz MZMDGFAALCNGHJ-LJQANCHMSA-N 1 2 326.525 3.600 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000742633735 1131763822 /nfs/dbraw/zinc/76/38/22/1131763822.db2.gz GWKOSPHAAYKNNF-AFNCTOJWSA-N 1 2 344.484 3.514 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000742642256 1131765546 /nfs/dbraw/zinc/76/55/46/1131765546.db2.gz FKCAYSLGOFBXDA-LNLFQRSKSA-N 1 2 326.525 3.599 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccccc3OC3CCCC3)cc2)C1 ZINC001212669462 1131772690 /nfs/dbraw/zinc/77/26/90/1131772690.db2.gz ZLULWUGXTIMLGD-UHFFFAOYSA-N 1 2 338.451 3.928 20 0 EHADLO Cc1ccc(N2CCC[C@H](Nc3ccc([NH+](C)C)cc3C)C2=O)cc1 ZINC000742701736 1131776475 /nfs/dbraw/zinc/77/64/75/1131776475.db2.gz ACSVFWIKXGFMSQ-FQEVSTJZSA-N 1 2 337.467 3.977 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(Cl)cc4cnccc43)cc2)C1 ZINC001212671462 1131794372 /nfs/dbraw/zinc/79/43/72/1131794372.db2.gz NYWZQPWLJCDVAD-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO Nc1ccccc1N(c1ccc(C[NH+]2CC(O)C2)cc1)C1CCCC1 ZINC001212673610 1131795616 /nfs/dbraw/zinc/79/56/16/1131795616.db2.gz PXGPFXRREUPCLZ-UHFFFAOYSA-N 1 2 337.467 3.526 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000742859065 1131808043 /nfs/dbraw/zinc/80/80/43/1131808043.db2.gz SJAHHKGKCCLBLR-QWPQOLDESA-N 1 2 337.448 3.595 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001172722673 1131822742 /nfs/dbraw/zinc/82/27/42/1131822742.db2.gz ZKZZLDGHCNZNMY-ICSRJNTNSA-N 1 2 343.854 3.587 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001172722673 1131822749 /nfs/dbraw/zinc/82/27/49/1131822749.db2.gz ZKZZLDGHCNZNMY-ICSRJNTNSA-N 1 2 343.854 3.587 20 0 EHADLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724230 1131824253 /nfs/dbraw/zinc/82/42/53/1131824253.db2.gz DGYFACWUPGQNMB-SFHVURJKSA-N 1 2 331.456 3.569 20 0 EHADLO Cc1ccc2c(c1)C[C@@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)CC2 ZINC001172837519 1131859153 /nfs/dbraw/zinc/85/91/53/1131859153.db2.gz GTKFOFKLYFWRFU-RBUKOAKNSA-N 1 2 334.454 3.658 20 0 EHADLO CC(C)CC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172867820 1131861900 /nfs/dbraw/zinc/86/19/00/1131861900.db2.gz AIWSFSMOEQBTFZ-CQSZACIVSA-N 1 2 340.870 3.600 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC001172863819 1131880660 /nfs/dbraw/zinc/88/06/60/1131880660.db2.gz KUSOADMHRQTZGV-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(C)c(C)s1)O[C@H](C)C2 ZINC000743499133 1131930474 /nfs/dbraw/zinc/93/04/74/1131930474.db2.gz STRNWSLYAOQJBY-LLVKDONJSA-N 1 2 332.469 3.772 20 0 EHADLO COc1cc(OC)c(OC)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698356 1131936530 /nfs/dbraw/zinc/93/65/30/1131936530.db2.gz OVOYWFHFNQESRC-UHFFFAOYSA-N 1 2 339.395 3.701 20 0 EHADLO CCOCc1cnc2n1CC[N@H+](C1CCC3(CCOCC3)CC1)[C@@H]2C ZINC001173046444 1131941106 /nfs/dbraw/zinc/94/11/06/1131941106.db2.gz WGNMKBGJQVUMID-MRXNPFEDSA-N 1 2 347.503 3.536 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+](C1CCC3(CCOCC3)CC1)[C@@H]2C ZINC001173046444 1131941112 /nfs/dbraw/zinc/94/11/12/1131941112.db2.gz WGNMKBGJQVUMID-MRXNPFEDSA-N 1 2 347.503 3.536 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000743564806 1131942134 /nfs/dbraw/zinc/94/21/34/1131942134.db2.gz JQDWUYWBJFZILM-MOPGFXCFSA-N 1 2 338.455 3.640 20 0 EHADLO CCCOC1CCC([N@@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173103201 1131966802 /nfs/dbraw/zinc/96/68/02/1131966802.db2.gz YDUMVRRWOKFPRM-DAWZGUTISA-N 1 2 344.490 3.920 20 0 EHADLO CCCOC1CCC([N@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173103201 1131966807 /nfs/dbraw/zinc/96/68/07/1131966807.db2.gz YDUMVRRWOKFPRM-DAWZGUTISA-N 1 2 344.490 3.920 20 0 EHADLO CCCOC1CCC(N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173103201 1131966812 /nfs/dbraw/zinc/96/68/12/1131966812.db2.gz YDUMVRRWOKFPRM-DAWZGUTISA-N 1 2 344.490 3.920 20 0 EHADLO CCc1ccc(C[C@H](C)[N@@H+]2CCn3c(COC)cnc3[C@H]2C)cc1 ZINC001173241347 1132028593 /nfs/dbraw/zinc/02/85/93/1132028593.db2.gz VNUYMCTYZHZJRU-JKSUJKDBSA-N 1 2 327.472 3.600 20 0 EHADLO CCc1ccc(C[C@H](C)[N@H+]2CCn3c(COC)cnc3[C@H]2C)cc1 ZINC001173241347 1132028601 /nfs/dbraw/zinc/02/86/01/1132028601.db2.gz VNUYMCTYZHZJRU-JKSUJKDBSA-N 1 2 327.472 3.600 20 0 EHADLO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286137 1132044749 /nfs/dbraw/zinc/04/47/49/1132044749.db2.gz DZXVSRUHEMZPTL-RDBSUJKOSA-N 1 2 332.435 3.799 20 0 EHADLO CC[C@@H]1CC[C@H]([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)C1 ZINC001173286137 1132044752 /nfs/dbraw/zinc/04/47/52/1132044752.db2.gz DZXVSRUHEMZPTL-RDBSUJKOSA-N 1 2 332.435 3.799 20 0 EHADLO Cc1cc(C(=O)N(C)C)ccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001212726950 1132065202 /nfs/dbraw/zinc/06/52/02/1132065202.db2.gz AUFDYFLXHWSGEU-UHFFFAOYSA-N 1 2 338.455 3.826 20 0 EHADLO C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000744475888 1132106614 /nfs/dbraw/zinc/10/66/14/1132106614.db2.gz OTYKEKWYNGOJGM-WMZOPIPTSA-N 1 2 343.471 3.519 20 0 EHADLO C[C@@H]1CC([N@@H+]2CCCC(F)(F)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677530 1132118292 /nfs/dbraw/zinc/11/82/92/1132118292.db2.gz BCXDLIARIMWHPZ-CHWSQXEVSA-N 1 2 332.435 3.894 20 0 EHADLO C[C@@H]1CC([N@H+]2CCCC(F)(F)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677530 1132118295 /nfs/dbraw/zinc/11/82/95/1132118295.db2.gz BCXDLIARIMWHPZ-CHWSQXEVSA-N 1 2 332.435 3.894 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc3[nH]c(C)cc3c2)c1C ZINC000065388341 1132118379 /nfs/dbraw/zinc/11/83/79/1132118379.db2.gz WQLHPBZOSGJLEO-UHFFFAOYSA-N 1 2 338.411 3.818 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742196268 1132202258 /nfs/dbraw/zinc/20/22/58/1132202258.db2.gz VWQKBRBAJDRJAY-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742196268 1132202265 /nfs/dbraw/zinc/20/22/65/1132202265.db2.gz VWQKBRBAJDRJAY-NSHDSACASA-N 1 2 349.887 3.548 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC001174157555 1132259514 /nfs/dbraw/zinc/25/95/14/1132259514.db2.gz DDTADIMAUSFLCD-UHFFFAOYSA-N 1 2 325.412 3.706 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001174185429 1132272636 /nfs/dbraw/zinc/27/26/36/1132272636.db2.gz XNSMGUZDKXZUAO-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO CC(C)NC(=O)c1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001174186790 1132273494 /nfs/dbraw/zinc/27/34/94/1132273494.db2.gz YJYBWWIDDNVFMZ-UHFFFAOYSA-N 1 2 328.803 3.870 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC001174203178 1132283687 /nfs/dbraw/zinc/28/36/87/1132283687.db2.gz NWEFVKZXMPCQCH-UHFFFAOYSA-N 1 2 325.412 3.706 20 0 EHADLO CC1CCN(C(=O)c2cccc(Nc3ccn4cc[nH+]c4c3)c2)CC1 ZINC001174205384 1132284570 /nfs/dbraw/zinc/28/45/70/1132284570.db2.gz YECXFEQODKWFPT-UHFFFAOYSA-N 1 2 334.423 3.950 20 0 EHADLO Cn1cc(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@@H+]2CC3)cn1 ZINC001174329644 1132320973 /nfs/dbraw/zinc/32/09/73/1132320973.db2.gz FLDMGHPDSDCRPZ-FQEVSTJZSA-N 1 2 330.435 3.819 20 0 EHADLO Cn1cc(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@H+]2CC3)cn1 ZINC001174329644 1132320981 /nfs/dbraw/zinc/32/09/81/1132320981.db2.gz FLDMGHPDSDCRPZ-FQEVSTJZSA-N 1 2 330.435 3.819 20 0 EHADLO Cn1c[nH+]c2ccc(-n3ccc4c3cc(Br)cc4N)cc21 ZINC001174347120 1132326089 /nfs/dbraw/zinc/32/60/89/1132326089.db2.gz HHDXPARTGDRPRM-UHFFFAOYSA-N 1 2 341.212 3.862 20 0 EHADLO Cn1c[nH+]c2ccc(-n3ccc4cc(Br)c(N)cc43)cc21 ZINC001174350201 1132327723 /nfs/dbraw/zinc/32/77/23/1132327723.db2.gz RYUIILWCGUNVQS-UHFFFAOYSA-N 1 2 341.212 3.862 20 0 EHADLO COC(=O)c1cc(O)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382953 1132344596 /nfs/dbraw/zinc/34/45/96/1132344596.db2.gz FLVNHLLHGZBURL-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO COC(=O)c1c(O)cccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382655 1132344665 /nfs/dbraw/zinc/34/46/65/1132344665.db2.gz AUMRNFYGSNUDPO-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccnn3CC3CCOCC3)ccc21 ZINC001174382430 1132344865 /nfs/dbraw/zinc/34/48/65/1132344865.db2.gz PKCUTAPAXPTJSG-UHFFFAOYSA-N 1 2 339.443 3.984 20 0 EHADLO Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000746019358 1132349197 /nfs/dbraw/zinc/34/91/97/1132349197.db2.gz ZJRXNGFMIXAVAU-UHFFFAOYSA-N 1 2 336.273 3.644 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cn1cc(Br)cn1 ZINC000746033277 1132351400 /nfs/dbraw/zinc/35/14/00/1132351400.db2.gz QRFKBHUQXGZABE-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cn1cc(Br)cn1 ZINC000746033277 1132351408 /nfs/dbraw/zinc/35/14/08/1132351408.db2.gz QRFKBHUQXGZABE-UHFFFAOYSA-N 1 2 328.641 3.779 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001174517879 1132397080 /nfs/dbraw/zinc/39/70/80/1132397080.db2.gz CKTWXTGVNNGKBG-UHFFFAOYSA-N 1 2 325.416 3.567 20 0 EHADLO Clc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c2nccn2n1 ZINC001174521724 1132398752 /nfs/dbraw/zinc/39/87/52/1132398752.db2.gz CVSGMCWKQJUWHY-UHFFFAOYSA-N 1 2 328.807 3.512 20 0 EHADLO c1nn([C@@H]2CCCCO2)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174599822 1132425497 /nfs/dbraw/zinc/42/54/97/1132425497.db2.gz UZYMKWGYJANIFH-SFHVURJKSA-N 1 2 327.432 3.711 20 0 EHADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1c(Cl)cccc1Cl ZINC000188854407 1132440007 /nfs/dbraw/zinc/44/00/07/1132440007.db2.gz JGYKVPJIXUCONL-JTQLQIEISA-N 1 2 326.227 3.569 20 0 EHADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1c(Cl)cccc1Cl ZINC000188854407 1132440012 /nfs/dbraw/zinc/44/00/12/1132440012.db2.gz JGYKVPJIXUCONL-JTQLQIEISA-N 1 2 326.227 3.569 20 0 EHADLO CCOc1ccc([C@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc2)cc1 ZINC000189085362 1132441340 /nfs/dbraw/zinc/44/13/40/1132441340.db2.gz ZKLQMOWUXFZJED-OAQYLSRUSA-N 1 2 349.434 3.647 20 0 EHADLO CCOc1ccc([C@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc2)cc1 ZINC000189085362 1132441350 /nfs/dbraw/zinc/44/13/50/1132441350.db2.gz ZKLQMOWUXFZJED-OAQYLSRUSA-N 1 2 349.434 3.647 20 0 EHADLO Cc1c(F)cccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174668131 1132444161 /nfs/dbraw/zinc/44/41/61/1132444161.db2.gz AESAISAQUPLJHJ-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1C ZINC001174829123 1132474439 /nfs/dbraw/zinc/47/44/39/1132474439.db2.gz DVBBODBNNPFZFQ-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000193837158 1132482742 /nfs/dbraw/zinc/48/27/42/1132482742.db2.gz SCHJGXSKBVBZOT-UHFFFAOYSA-N 1 2 337.423 3.599 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000193837158 1132482746 /nfs/dbraw/zinc/48/27/46/1132482746.db2.gz SCHJGXSKBVBZOT-UHFFFAOYSA-N 1 2 337.423 3.599 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000193644721 1132483192 /nfs/dbraw/zinc/48/31/92/1132483192.db2.gz CUMYACMIYQPVFN-MRXNPFEDSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000193644721 1132483196 /nfs/dbraw/zinc/48/31/96/1132483196.db2.gz CUMYACMIYQPVFN-MRXNPFEDSA-N 1 2 339.361 3.875 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000194254223 1132487704 /nfs/dbraw/zinc/48/77/04/1132487704.db2.gz HIOHXEAODLVKEG-MRXNPFEDSA-N 1 2 344.503 3.709 20 0 EHADLO CC(C)OC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001174913507 1132502231 /nfs/dbraw/zinc/50/22/31/1132502231.db2.gz BUNMOLMXOZEOGS-UHFFFAOYSA-N 1 2 325.412 3.991 20 0 EHADLO c1ccc(COc2ccc(C[N@@H+]3CCc4nccnc4C3)cc2)cc1 ZINC001174941948 1132513625 /nfs/dbraw/zinc/51/36/25/1132513625.db2.gz NKLPEPPRKZNTOK-UHFFFAOYSA-N 1 2 331.419 3.614 20 0 EHADLO c1ccc(COc2ccc(C[N@H+]3CCc4nccnc4C3)cc2)cc1 ZINC001174941948 1132513630 /nfs/dbraw/zinc/51/36/30/1132513630.db2.gz NKLPEPPRKZNTOK-UHFFFAOYSA-N 1 2 331.419 3.614 20 0 EHADLO Cc1cccc(-c2nn(C[N@H+]3CC[C@@H](C)[C@H](C)C3)c(=S)n2C)c1 ZINC000766379253 1132522564 /nfs/dbraw/zinc/52/25/64/1132522564.db2.gz CBAYPKWDRDCXNT-HUUCEWRRSA-N 1 2 330.501 3.862 20 0 EHADLO Cc1cccc(-c2nn(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)c(=S)n2C)c1 ZINC000766379253 1132522569 /nfs/dbraw/zinc/52/25/69/1132522569.db2.gz CBAYPKWDRDCXNT-HUUCEWRRSA-N 1 2 330.501 3.862 20 0 EHADLO COc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766403846 1132530118 /nfs/dbraw/zinc/53/01/18/1132530118.db2.gz NWGJQKGGPXWJHM-GFCCVEGCSA-N 1 2 325.416 3.763 20 0 EHADLO Cc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)c2ccccc12 ZINC001174988274 1132535916 /nfs/dbraw/zinc/53/59/16/1132535916.db2.gz MRHKQARAHUCAHC-UHFFFAOYSA-N 1 2 334.423 3.827 20 0 EHADLO Cn1cc([C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C(C)(C)C)cn1 ZINC000766423583 1132536580 /nfs/dbraw/zinc/53/65/80/1132536580.db2.gz WUOLXDHBCYQOEX-AWEZNQCLSA-N 1 2 341.463 3.514 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000766430919 1132542189 /nfs/dbraw/zinc/54/21/89/1132542189.db2.gz QVNCETLNUAMZCJ-GXTWGEPZSA-N 1 2 331.464 3.587 20 0 EHADLO CCOc1cc(C)c(Nc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 ZINC001175171957 1132588018 /nfs/dbraw/zinc/58/80/18/1132588018.db2.gz ROVACJFXLNZAAY-UHFFFAOYSA-N 1 2 327.428 3.677 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cnc2ccccc2c1 ZINC000766519460 1132595692 /nfs/dbraw/zinc/59/56/92/1132595692.db2.gz GVDVEGFGAPWOTB-UHFFFAOYSA-N 1 2 332.407 3.843 20 0 EHADLO CC(C)Cc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001175295242 1132617164 /nfs/dbraw/zinc/61/71/64/1132617164.db2.gz WSVBYQIBWJVPPN-UHFFFAOYSA-N 1 2 325.456 3.985 20 0 EHADLO CN(C)c1cc(Cl)[nH+]c(NCc2ccccc2-n2cccn2)c1 ZINC001168960737 1132620537 /nfs/dbraw/zinc/62/05/37/1132620537.db2.gz RMMKHSUUMHVWAL-UHFFFAOYSA-N 1 2 327.819 3.599 20 0 EHADLO Cc1cnn(Cc2ccccc2F)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175341318 1132626213 /nfs/dbraw/zinc/62/62/13/1132626213.db2.gz FZSNSONYKYNPLK-UHFFFAOYSA-N 1 2 325.391 3.584 20 0 EHADLO Cc1cc(-c2ccccc2)nc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169002162 1132628679 /nfs/dbraw/zinc/62/86/79/1132628679.db2.gz IFOGJRZEJZADJN-UHFFFAOYSA-N 1 2 329.407 3.754 20 0 EHADLO C[S@@](=O)c1ccccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001175304288 1132631312 /nfs/dbraw/zinc/63/13/12/1132631312.db2.gz VKHOIFPBYKNUES-XMMPIXPASA-N 1 2 347.440 3.910 20 0 EHADLO COC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)c2cc[nH]c2c1C ZINC001169011494 1132631594 /nfs/dbraw/zinc/63/15/94/1132631594.db2.gz VMPUYGLAQQRLJS-UHFFFAOYSA-N 1 2 348.406 3.565 20 0 EHADLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cc(Br)n1 ZINC001175349236 1132643420 /nfs/dbraw/zinc/64/34/20/1132643420.db2.gz MRJVJNZVVGFMLT-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001175436523 1132669223 /nfs/dbraw/zinc/66/92/23/1132669223.db2.gz LFWUPTOOBHSZET-UHFFFAOYSA-N 1 2 344.890 3.801 20 0 EHADLO Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc1Cl ZINC001169159018 1132682202 /nfs/dbraw/zinc/68/22/02/1132682202.db2.gz OZOQSAOXJSXYFF-UHFFFAOYSA-N 1 2 339.826 3.942 20 0 EHADLO Cc1ccc2n[nH]cc2c1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001175525049 1132699726 /nfs/dbraw/zinc/69/97/26/1132699726.db2.gz IEWSIRYQENHVFD-OKILXGFUSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC001175540183 1132702701 /nfs/dbraw/zinc/70/27/01/1132702701.db2.gz JTPNHAXFAMRHFM-UHFFFAOYSA-N 1 2 339.439 3.729 20 0 EHADLO NC(=O)c1ccc(CC[NH2+][C@@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001175661722 1132733292 /nfs/dbraw/zinc/73/32/92/1132733292.db2.gz RXIZFIBGQFKJOO-HNNXBMFYSA-N 1 2 338.785 3.577 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc(Cn3cccn3)c2)c[nH+]1 ZINC001175713221 1132740033 /nfs/dbraw/zinc/74/00/33/1132740033.db2.gz XGYQPNQEKDDIHR-UHFFFAOYSA-N 1 2 333.317 3.671 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnc3c(C4CCC4)cnn3c2)c[nH+]1 ZINC001175712785 1132740227 /nfs/dbraw/zinc/74/02/27/1132740227.db2.gz QZWCMMSEQUEUJM-UHFFFAOYSA-N 1 2 348.332 3.736 20 0 EHADLO COc1ccc2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)ccc2n1 ZINC001175714791 1132741574 /nfs/dbraw/zinc/74/15/74/1132741574.db2.gz UPMCAIFEFNHEEL-UHFFFAOYSA-N 1 2 334.301 3.983 20 0 EHADLO Cc1cccc(-n2nccc2Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175710650 1132755891 /nfs/dbraw/zinc/75/58/91/1132755891.db2.gz HQPDHVVHGDTHFF-UHFFFAOYSA-N 1 2 333.317 3.920 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCc1nc(C2CCCCC2)cs1 ZINC000766708602 1132758053 /nfs/dbraw/zinc/75/80/53/1132758053.db2.gz CHGHZZZGTBQPQF-UHFFFAOYSA-N 1 2 330.457 3.827 20 0 EHADLO CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC001169494625 1132769966 /nfs/dbraw/zinc/76/99/66/1132769966.db2.gz MYALKVGACPLAQQ-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)[C@@H]1C ZINC001169494625 1132769969 /nfs/dbraw/zinc/76/99/69/1132769969.db2.gz MYALKVGACPLAQQ-NEPJUHHUSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC001175936285 1132791103 /nfs/dbraw/zinc/79/11/03/1132791103.db2.gz VPOZJEAHZQXATM-QGZVFWFLSA-N 1 2 337.389 3.900 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC001175936285 1132791109 /nfs/dbraw/zinc/79/11/09/1132791109.db2.gz VPOZJEAHZQXATM-QGZVFWFLSA-N 1 2 337.389 3.900 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001176098029 1132834209 /nfs/dbraw/zinc/83/42/09/1132834209.db2.gz PQPUGZPOBDWSJG-OAHLLOKOSA-N 1 2 340.414 3.700 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001176098029 1132834217 /nfs/dbraw/zinc/83/42/17/1132834217.db2.gz PQPUGZPOBDWSJG-OAHLLOKOSA-N 1 2 340.414 3.700 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(Br)cc(Cl)c1O ZINC001176124245 1132853348 /nfs/dbraw/zinc/85/33/48/1132853348.db2.gz KKAZDYLDBYYCHN-UHFFFAOYSA-N 1 2 329.581 3.955 20 0 EHADLO Clc1ccc(Cl)c(CN2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000766846436 1132861805 /nfs/dbraw/zinc/86/18/05/1132861805.db2.gz MNDKFNRUCSIQIS-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO Cc1ccc(C)c(Nc2cc(Cl)nn(-c3ccccc3)c2=O)[nH+]1 ZINC001169827264 1132861933 /nfs/dbraw/zinc/86/19/33/1132861933.db2.gz TZQAJGPIELMPLN-UHFFFAOYSA-N 1 2 326.787 3.641 20 0 EHADLO Cc1[nH+]c(C(C)(C)C)nc(NC[C@@H](CO)Cc2ccccc2)c1C ZINC001169898631 1132891039 /nfs/dbraw/zinc/89/10/39/1132891039.db2.gz VUZLNDDCCRBCAO-KRWDZBQOSA-N 1 2 327.472 3.654 20 0 EHADLO OC[C@H](CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21)Cc1ccccc1 ZINC001169903107 1132894123 /nfs/dbraw/zinc/89/41/23/1132894123.db2.gz DFEXUBBTCCKVAR-ZDUSSCGKSA-N 1 2 349.356 3.845 20 0 EHADLO O=C(/C=C\C1CCCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001169906126 1132894612 /nfs/dbraw/zinc/89/46/12/1132894612.db2.gz YKCJMVYNVLYFMW-KTKRTIGZSA-N 1 2 337.467 3.559 20 0 EHADLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(Cl)cc2F)cn1 ZINC001176534109 1132958196 /nfs/dbraw/zinc/95/81/96/1132958196.db2.gz VNJBFHDRIOJEAO-MRXNPFEDSA-N 1 2 339.867 3.893 20 0 EHADLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(Cl)cc2F)cn1 ZINC001176534109 1132958198 /nfs/dbraw/zinc/95/81/98/1132958198.db2.gz VNJBFHDRIOJEAO-MRXNPFEDSA-N 1 2 339.867 3.893 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(O)cc(Cl)c1 ZINC001176625420 1132974101 /nfs/dbraw/zinc/97/41/01/1132974101.db2.gz UNYNDCLNVLGJKY-UHFFFAOYSA-N 1 2 344.802 3.941 20 0 EHADLO COc1cccc(Cn2nccc2Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749054 1132992021 /nfs/dbraw/zinc/99/20/21/1132992021.db2.gz QSAMQXUSNIOJID-UHFFFAOYSA-N 1 2 349.438 3.679 20 0 EHADLO COc1ccc(-n2ncc(C)c2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176748921 1132992304 /nfs/dbraw/zinc/99/23/04/1132992304.db2.gz JCVHVUAWUQQFGD-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO O=C1[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCCN1c1cccc(F)c1 ZINC001176798683 1133005634 /nfs/dbraw/zinc/00/56/34/1133005634.db2.gz WDIHAAGQXRMHNL-GOSISDBHSA-N 1 2 344.817 3.990 20 0 EHADLO O=C1[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CCCN1c1cccc(F)c1 ZINC001176798683 1133005640 /nfs/dbraw/zinc/00/56/40/1133005640.db2.gz WDIHAAGQXRMHNL-GOSISDBHSA-N 1 2 344.817 3.990 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)nc1 ZINC001176871030 1133006667 /nfs/dbraw/zinc/00/66/67/1133006667.db2.gz HLRGURKGVUFUDI-QGZVFWFLSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)nc1 ZINC001176871030 1133006674 /nfs/dbraw/zinc/00/66/74/1133006674.db2.gz HLRGURKGVUFUDI-QGZVFWFLSA-N 1 2 345.830 3.519 20 0 EHADLO C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001177091522 1133030946 /nfs/dbraw/zinc/03/09/46/1133030946.db2.gz YFOFKOPXGMAEHU-JLTOFOAXSA-N 1 2 341.455 3.913 20 0 EHADLO Cc1csc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)n1 ZINC001177204345 1133039035 /nfs/dbraw/zinc/03/90/35/1133039035.db2.gz NUTRJUBWRKSGQA-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO Fc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c1F ZINC001204198828 1133083489 /nfs/dbraw/zinc/08/34/89/1133083489.db2.gz LVLJMQPPPDCIIF-SNVBAGLBSA-N 1 2 347.287 3.746 20 0 EHADLO Fc1cccc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c1F ZINC001204198828 1133083491 /nfs/dbraw/zinc/08/34/91/1133083491.db2.gz LVLJMQPPPDCIIF-SNVBAGLBSA-N 1 2 347.287 3.746 20 0 EHADLO C[C@H](C(=O)NCCc1cccc(Oc2ccccc2)c1)n1cc[nH+]c1 ZINC001177926900 1133111934 /nfs/dbraw/zinc/11/19/34/1133111934.db2.gz MDJBUPFESMMSHI-MRXNPFEDSA-N 1 2 335.407 3.595 20 0 EHADLO CC[N@H+](Cc1c(Cl)nc2ccccn21)Cc1ccc2c(c1)OCO2 ZINC000768197665 1133112116 /nfs/dbraw/zinc/11/21/16/1133112116.db2.gz LRFBPHQOOOWTIQ-UHFFFAOYSA-N 1 2 343.814 3.739 20 0 EHADLO CC[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccc2c(c1)OCO2 ZINC000768197665 1133112118 /nfs/dbraw/zinc/11/21/18/1133112118.db2.gz LRFBPHQOOOWTIQ-UHFFFAOYSA-N 1 2 343.814 3.739 20 0 EHADLO Cc1cccn2c(CNc3cccc(Br)c3CO)c[nH+]c12 ZINC001178020993 1133125367 /nfs/dbraw/zinc/12/53/67/1133125367.db2.gz KPTSBRSBBGJFMM-UHFFFAOYSA-N 1 2 346.228 3.510 20 0 EHADLO CCOc1c(C[NH2+]Cc2ccc(OC)cc2F)c(C)nn1CC(C)C ZINC001178161662 1133137761 /nfs/dbraw/zinc/13/77/61/1133137761.db2.gz SKSJIIUXNKLSIC-UHFFFAOYSA-N 1 2 349.450 3.684 20 0 EHADLO CC[C@@H](C)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001178500828 1133169825 /nfs/dbraw/zinc/16/98/25/1133169825.db2.gz DMZBSZCHQOPJLG-CYBMUJFWSA-N 1 2 340.309 3.659 20 0 EHADLO CC[C@@H]1CC(=O)N(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000768905842 1133201296 /nfs/dbraw/zinc/20/12/96/1133201296.db2.gz DITSOCNMJDIDHU-CQSZACIVSA-N 1 2 334.410 3.660 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)nn1 ZINC001179085641 1133226780 /nfs/dbraw/zinc/22/67/80/1133226780.db2.gz BZQJKQJEKILGEP-UHFFFAOYSA-N 1 2 337.210 3.672 20 0 EHADLO Cc1ccc(Br)c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1 ZINC001179092078 1133227921 /nfs/dbraw/zinc/22/79/21/1133227921.db2.gz HVGSBMJZPZMDNB-UHFFFAOYSA-N 1 2 336.233 3.534 20 0 EHADLO Cc1ccc(Br)c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1 ZINC001179092078 1133227925 /nfs/dbraw/zinc/22/79/25/1133227925.db2.gz HVGSBMJZPZMDNB-UHFFFAOYSA-N 1 2 336.233 3.534 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)N(C)CCCn3cc[nH+]c3)ccc2c1 ZINC000769306059 1133257431 /nfs/dbraw/zinc/25/74/31/1133257431.db2.gz FGXVEPNWTKNHPM-UITAMQMPSA-N 1 2 349.434 3.607 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000769329417 1133264007 /nfs/dbraw/zinc/26/40/07/1133264007.db2.gz LAVIERCKIRXIRG-OAHLLOKOSA-N 1 2 333.863 3.870 20 0 EHADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000769329417 1133264012 /nfs/dbraw/zinc/26/40/12/1133264012.db2.gz LAVIERCKIRXIRG-OAHLLOKOSA-N 1 2 333.863 3.870 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc2c1CCOC2 ZINC001179818298 1133286533 /nfs/dbraw/zinc/28/65/33/1133286533.db2.gz WPGLFPCEGHMKPW-UHFFFAOYSA-N 1 2 325.387 3.880 20 0 EHADLO Cc1cccn2c(CNc3cc(Cl)c4c(c3)OCCO4)c[nH+]c12 ZINC001179834938 1133287921 /nfs/dbraw/zinc/28/79/21/1133287921.db2.gz XWDQEVNQBKLMMN-UHFFFAOYSA-N 1 2 329.787 3.679 20 0 EHADLO Cc1ccc(Cl)c(CC(=O)NCc2c[nH+]cn2C2CCC2)c1F ZINC001179978163 1133309482 /nfs/dbraw/zinc/30/94/82/1133309482.db2.gz XMDRKUIXCHESGU-UHFFFAOYSA-N 1 2 335.810 3.568 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2cncc(Cl)c2Cl)CC1 ZINC001180007654 1133316640 /nfs/dbraw/zinc/31/66/40/1133316640.db2.gz ZPAVJEKRUYOSQK-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO Brc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cn1 ZINC001180085899 1133327308 /nfs/dbraw/zinc/32/73/08/1133327308.db2.gz AEMXXGDXMTYTEB-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(F)ccc2N(C)C)CCO1 ZINC001180120275 1133334513 /nfs/dbraw/zinc/33/45/13/1133334513.db2.gz GMJWLRRQZBOEGQ-FQEVSTJZSA-N 1 2 328.431 3.774 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(F)ccc2N(C)C)CCO1 ZINC001180120275 1133334515 /nfs/dbraw/zinc/33/45/15/1133334515.db2.gz GMJWLRRQZBOEGQ-FQEVSTJZSA-N 1 2 328.431 3.774 20 0 EHADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180213112 1133344689 /nfs/dbraw/zinc/34/46/89/1133344689.db2.gz PGSGSSXGVXLCET-IBGZPJMESA-N 1 2 342.414 3.574 20 0 EHADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001180213112 1133344695 /nfs/dbraw/zinc/34/46/95/1133344695.db2.gz PGSGSSXGVXLCET-IBGZPJMESA-N 1 2 342.414 3.574 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769781375 1133345297 /nfs/dbraw/zinc/34/52/97/1133345297.db2.gz GIVHAEADZHRVJI-SJLPKXTDSA-N 1 2 348.437 3.893 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2cccs2)cc1)c1nnnn1C1CC1 ZINC000769798622 1133347984 /nfs/dbraw/zinc/34/79/84/1133347984.db2.gz BRPBVYGPUVRCQJ-LBPRGKRZSA-N 1 2 325.441 3.587 20 0 EHADLO CCc1nc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)cs1 ZINC000150919598 1133361922 /nfs/dbraw/zinc/36/19/22/1133361922.db2.gz KMOGQCLDUPBHJD-QGZVFWFLSA-N 1 2 346.496 3.862 20 0 EHADLO CCc1ccc(OCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001180517423 1133381082 /nfs/dbraw/zinc/38/10/82/1133381082.db2.gz XIECRCPWDNNXTF-UHFFFAOYSA-N 1 2 335.407 3.511 20 0 EHADLO Cc1cccc(OCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001180502322 1133386560 /nfs/dbraw/zinc/38/65/60/1133386560.db2.gz SEFXLKCJGMSJIO-UHFFFAOYSA-N 1 2 349.434 3.527 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)cc1O)C1CCCCCC1 ZINC001180687011 1133407004 /nfs/dbraw/zinc/40/70/04/1133407004.db2.gz LTGUXFNAPQXKED-LLVKDONJSA-N 1 2 327.266 3.998 20 0 EHADLO CCc1ccccc1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000770443343 1133431640 /nfs/dbraw/zinc/43/16/40/1133431640.db2.gz CHSKFMKULLTRMC-UHFFFAOYSA-N 1 2 327.424 3.759 20 0 EHADLO C[C@@]1(Br)C[C@@H]1C[N@@H+]1Cc2cccc(Br)c2C1 ZINC001181066233 1133445719 /nfs/dbraw/zinc/44/57/19/1133445719.db2.gz SYGPLIOUWQNZLI-ZWNOBZJWSA-N 1 2 345.078 3.938 20 0 EHADLO C[C@@]1(Br)C[C@@H]1C[N@H+]1Cc2cccc(Br)c2C1 ZINC001181066233 1133445722 /nfs/dbraw/zinc/44/57/22/1133445722.db2.gz SYGPLIOUWQNZLI-ZWNOBZJWSA-N 1 2 345.078 3.938 20 0 EHADLO CCC(CC)(C(=O)NCCSCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001181159466 1133461465 /nfs/dbraw/zinc/46/14/65/1133461465.db2.gz SRRDJNVYFCPWJQ-UHFFFAOYSA-N 1 2 345.512 3.826 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1csc(-c2ccccc2)n1 ZINC000770733406 1133466320 /nfs/dbraw/zinc/46/63/20/1133466320.db2.gz KFSBUBDEGNNPBD-UHFFFAOYSA-N 1 2 335.388 3.815 20 0 EHADLO Cc1cn(CCC(=O)NCc2c[nH+]cn2C2CCC2)c2ccccc12 ZINC001181211232 1133469420 /nfs/dbraw/zinc/46/94/20/1133469420.db2.gz UJEGHUMVIKNMSE-UHFFFAOYSA-N 1 2 336.439 3.578 20 0 EHADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C1(F)CCCC1 ZINC001181360104 1133480816 /nfs/dbraw/zinc/48/08/16/1133480816.db2.gz MMZZWPKDROKJPA-UHFFFAOYSA-N 1 2 349.837 3.526 20 0 EHADLO O=C(CCCOc1ccccc1Cl)OCc1cccc2[nH+]ccn21 ZINC000770911952 1133481072 /nfs/dbraw/zinc/48/10/72/1133481072.db2.gz ZTNHUFQZRXMQAN-UHFFFAOYSA-N 1 2 344.798 3.890 20 0 EHADLO CCc1c(NCc2ccc[nH+]c2N)cnn1-c1cccc(Cl)c1 ZINC001181410661 1133483264 /nfs/dbraw/zinc/48/32/64/1133483264.db2.gz OEGWTMNOHVPWBC-UHFFFAOYSA-N 1 2 327.819 3.677 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770920063 1133483897 /nfs/dbraw/zinc/48/38/97/1133483897.db2.gz IRYGCNLJEINSEV-MRXNPFEDSA-N 1 2 326.421 3.948 20 0 EHADLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c2cccc(F)c2n1 ZINC000771152722 1133512335 /nfs/dbraw/zinc/51/23/35/1133512335.db2.gz GAIXLPQIWLJFLZ-UHFFFAOYSA-N 1 2 337.389 3.848 20 0 EHADLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c2cccc(F)c2n1 ZINC000771152722 1133512338 /nfs/dbraw/zinc/51/23/38/1133512338.db2.gz GAIXLPQIWLJFLZ-UHFFFAOYSA-N 1 2 337.389 3.848 20 0 EHADLO CC[C@H]1C[N@H+](CN2c3ccccc3C(=O)C2=O)CC[C@@H]1c1ccccc1 ZINC000746380270 1133514525 /nfs/dbraw/zinc/51/45/25/1133514525.db2.gz CHZQDCXXZUBWLR-WMZOPIPTSA-N 1 2 348.446 3.689 20 0 EHADLO CC[C@H]1C[N@@H+](CN2c3ccccc3C(=O)C2=O)CC[C@@H]1c1ccccc1 ZINC000746380270 1133514528 /nfs/dbraw/zinc/51/45/28/1133514528.db2.gz CHZQDCXXZUBWLR-WMZOPIPTSA-N 1 2 348.446 3.689 20 0 EHADLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001181880401 1133545726 /nfs/dbraw/zinc/54/57/26/1133545726.db2.gz VACNSZYTHBJULM-AWEZNQCLSA-N 1 2 348.340 3.507 20 0 EHADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001181880401 1133545729 /nfs/dbraw/zinc/54/57/29/1133545729.db2.gz VACNSZYTHBJULM-AWEZNQCLSA-N 1 2 348.340 3.507 20 0 EHADLO C[N@H+](CC(=O)Oc1cccc(Oc2ccccc2)c1)[C@@H]1CCSC1 ZINC000773961030 1133561993 /nfs/dbraw/zinc/56/19/93/1133561993.db2.gz VLUVJFPSIXSSMT-OAHLLOKOSA-N 1 2 343.448 3.822 20 0 EHADLO C[N@@H+](CC(=O)Oc1cccc(Oc2ccccc2)c1)[C@@H]1CCSC1 ZINC000773961030 1133561998 /nfs/dbraw/zinc/56/19/98/1133561998.db2.gz VLUVJFPSIXSSMT-OAHLLOKOSA-N 1 2 343.448 3.822 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001182147129 1133578480 /nfs/dbraw/zinc/57/84/80/1133578480.db2.gz PGKXMVRHEHIZNX-HYVNUMGLSA-N 1 2 329.444 3.750 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001182147551 1133579235 /nfs/dbraw/zinc/57/92/35/1133579235.db2.gz INRJUROEONIVKR-ZJPYXAASSA-N 1 2 347.503 3.593 20 0 EHADLO NC(Cc1cccnc1)=[NH+]OCCOc1cc(Cl)cc(Cl)c1 ZINC000771663722 1133581077 /nfs/dbraw/zinc/58/10/77/1133581077.db2.gz ANCNZUIHWCXIFB-UHFFFAOYSA-N 1 2 340.210 3.508 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)C1(c2cccc(Cl)c2)CCC1 ZINC001182232161 1133593909 /nfs/dbraw/zinc/59/39/09/1133593909.db2.gz MYYQVWHDTUVZQR-UHFFFAOYSA-N 1 2 326.827 3.706 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1Cl ZINC001182220893 1133598703 /nfs/dbraw/zinc/59/87/03/1133598703.db2.gz GCICVVOPGYMTTL-CYBMUJFWSA-N 1 2 348.796 3.934 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1ccno1)c1ccccc1Cl ZINC001182224307 1133599420 /nfs/dbraw/zinc/59/94/20/1133599420.db2.gz ZMQOHNDWFMYHDU-MLGOLLRUSA-N 1 2 335.835 3.588 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242761 1133606999 /nfs/dbraw/zinc/60/69/99/1133606999.db2.gz DIPHCASEHACIET-INIZCTEOSA-N 1 2 346.862 3.927 20 0 EHADLO O=C(OCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000771942689 1133618294 /nfs/dbraw/zinc/61/82/94/1133618294.db2.gz GGXQUXVTSJYNIC-UHFFFAOYSA-N 1 2 332.831 3.982 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000771978318 1133623217 /nfs/dbraw/zinc/62/32/17/1133623217.db2.gz YHADENXJXPQEPE-UONOGXRCSA-N 1 2 325.195 3.537 20 0 EHADLO CCCCn1ncc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1C ZINC000772436055 1133685215 /nfs/dbraw/zinc/68/52/15/1133685215.db2.gz RUJOMVJGLIDJRF-UHFFFAOYSA-N 1 2 349.504 3.542 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)C(=O)O1 ZINC000785506553 1133715282 /nfs/dbraw/zinc/71/52/82/1133715282.db2.gz YXXBYOSDHLXSJQ-ZWKOTPCHSA-N 1 2 346.471 3.665 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)C(=O)O1 ZINC000785506553 1133715287 /nfs/dbraw/zinc/71/52/87/1133715287.db2.gz YXXBYOSDHLXSJQ-ZWKOTPCHSA-N 1 2 346.471 3.665 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000785505184 1133715429 /nfs/dbraw/zinc/71/54/29/1133715429.db2.gz CZUFGBIUMDOHGN-FQEVSTJZSA-N 1 2 346.434 3.703 20 0 EHADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000785505184 1133715433 /nfs/dbraw/zinc/71/54/33/1133715433.db2.gz CZUFGBIUMDOHGN-FQEVSTJZSA-N 1 2 346.434 3.703 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(-c2ccccc2)on1 ZINC001182737090 1133726730 /nfs/dbraw/zinc/72/67/30/1133726730.db2.gz UBEHWBWQNGWNRW-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC001206547838 1133744647 /nfs/dbraw/zinc/74/46/47/1133744647.db2.gz OGAMBYFZVVEBET-AWEZNQCLSA-N 1 2 345.240 3.549 20 0 EHADLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC001206547838 1133744649 /nfs/dbraw/zinc/74/46/49/1133744649.db2.gz OGAMBYFZVVEBET-AWEZNQCLSA-N 1 2 345.240 3.549 20 0 EHADLO COc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001183030700 1133759055 /nfs/dbraw/zinc/75/90/55/1133759055.db2.gz PXTWNTZOGMYECO-INIZCTEOSA-N 1 2 349.434 3.609 20 0 EHADLO C[C@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183028464 1133759524 /nfs/dbraw/zinc/75/95/24/1133759524.db2.gz BNBQMFNFZOZACN-NSHDSACASA-N 1 2 344.777 3.551 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@H+](C/C=C/c1cccc(F)c1)C2 ZINC001184076037 1133889131 /nfs/dbraw/zinc/88/91/31/1133889131.db2.gz BQAVHXDGHYWHJL-GQCTYLIASA-N 1 2 341.382 3.520 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@@H+](C/C=C/c1cccc(F)c1)C2 ZINC001184076037 1133889137 /nfs/dbraw/zinc/88/91/37/1133889137.db2.gz BQAVHXDGHYWHJL-GQCTYLIASA-N 1 2 341.382 3.520 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Oc1cccc(CCOC)c1)c1ccccc1 ZINC000786749653 1133895137 /nfs/dbraw/zinc/89/51/37/1133895137.db2.gz IZMPCLBIADDTQG-HXUWFJFHSA-N 1 2 341.451 3.864 20 0 EHADLO CCOc1cccc(F)c1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001184219689 1133909916 /nfs/dbraw/zinc/90/99/16/1133909916.db2.gz YBJQNUBRBPFRLO-HNNXBMFYSA-N 1 2 341.430 3.604 20 0 EHADLO CCOc1cccc(F)c1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001184219689 1133909921 /nfs/dbraw/zinc/90/99/21/1133909921.db2.gz YBJQNUBRBPFRLO-HNNXBMFYSA-N 1 2 341.430 3.604 20 0 EHADLO Clc1c(C[NH+]2CC(Cc3ccoc3)C2)cnn1Cc1ccccc1 ZINC001184196045 1133913325 /nfs/dbraw/zinc/91/33/25/1133913325.db2.gz DGXPBSJWHSGTJB-UHFFFAOYSA-N 1 2 341.842 3.852 20 0 EHADLO CC(=O)[C@@H](C)CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184337155 1133929418 /nfs/dbraw/zinc/92/94/18/1133929418.db2.gz FMJQYOVXFUOFHO-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO CC(=O)[C@@H](C)CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184337155 1133929432 /nfs/dbraw/zinc/92/94/32/1133929432.db2.gz FMJQYOVXFUOFHO-HNNXBMFYSA-N 1 2 336.435 3.756 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001184566188 1133958191 /nfs/dbraw/zinc/95/81/91/1133958191.db2.gz KQVJRZZNPXCEDO-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO Cc1nonc1C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000787343419 1133998971 /nfs/dbraw/zinc/99/89/71/1133998971.db2.gz SSPZITWDZKJOMU-SECBINFHSA-N 1 2 330.215 3.584 20 0 EHADLO Cc1nonc1C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000787343419 1133998975 /nfs/dbraw/zinc/99/89/75/1133998975.db2.gz SSPZITWDZKJOMU-SECBINFHSA-N 1 2 330.215 3.584 20 0 EHADLO CCc1cc(NCc2ccc(-n3ccnc3)c(F)c2)nc(CC)[nH+]1 ZINC001185006718 1134013465 /nfs/dbraw/zinc/01/34/65/1134013465.db2.gz CYAIDPZQFWPCAA-UHFFFAOYSA-N 1 2 325.391 3.538 20 0 EHADLO CCc1cc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)nc(CC)[nH+]1 ZINC001184990605 1134016781 /nfs/dbraw/zinc/01/67/81/1134016781.db2.gz BSZIELXIJJRMBF-FQEVSTJZSA-N 1 2 339.439 3.936 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)OCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000788226635 1134097322 /nfs/dbraw/zinc/09/73/22/1134097322.db2.gz NBXZWYWFCUVXMU-MRXNPFEDSA-N 1 2 336.391 3.880 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)CC[C@@H](C)CC ZINC001185562774 1134106309 /nfs/dbraw/zinc/10/63/09/1134106309.db2.gz GUZCUXUFIPSGRS-ZDUSSCGKSA-N 1 2 330.432 3.603 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282997 1134107778 /nfs/dbraw/zinc/10/77/78/1134107778.db2.gz VEDZINILJKUWNW-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282997 1134107781 /nfs/dbraw/zinc/10/77/81/1134107781.db2.gz VEDZINILJKUWNW-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000788282997 1134107784 /nfs/dbraw/zinc/10/77/84/1134107784.db2.gz VEDZINILJKUWNW-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000788282997 1134107787 /nfs/dbraw/zinc/10/77/87/1134107787.db2.gz VEDZINILJKUWNW-SWLSCSKDSA-N 1 2 346.368 3.578 20 0 EHADLO COC(=O)c1nccnc1Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C ZINC001185793520 1134137745 /nfs/dbraw/zinc/13/77/45/1134137745.db2.gz OTIKSDNTVWBKLR-CQSZACIVSA-N 1 2 340.427 3.694 20 0 EHADLO COC(=O)c1nccnc1Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C ZINC001185793520 1134137750 /nfs/dbraw/zinc/13/77/50/1134137750.db2.gz OTIKSDNTVWBKLR-CQSZACIVSA-N 1 2 340.427 3.694 20 0 EHADLO CCc1cc(N[C@@H]2CCCN(c3ccccc3F)C2)nc(CC)[nH+]1 ZINC001185996096 1134154224 /nfs/dbraw/zinc/15/42/24/1134154224.db2.gz TXSSVPUSFYJBGW-OAHLLOKOSA-N 1 2 328.435 3.821 20 0 EHADLO C[N@@H+]1CCCc2cc(N[C@@H](c3cn[nH]n3)c3ccc(F)cc3)ccc21 ZINC000788729130 1134163312 /nfs/dbraw/zinc/16/33/12/1134163312.db2.gz QNYRFOSNTLSMQS-LJQANCHMSA-N 1 2 337.402 3.528 20 0 EHADLO C[N@H+]1CCCc2cc(N[C@@H](c3cn[nH]n3)c3ccc(F)cc3)ccc21 ZINC000788729130 1134163313 /nfs/dbraw/zinc/16/33/13/1134163313.db2.gz QNYRFOSNTLSMQS-LJQANCHMSA-N 1 2 337.402 3.528 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788729698 1134163861 /nfs/dbraw/zinc/16/38/61/1134163861.db2.gz SRBXILGFOAZKOS-CQSZACIVSA-N 1 2 345.487 3.736 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788729698 1134163865 /nfs/dbraw/zinc/16/38/65/1134163865.db2.gz SRBXILGFOAZKOS-CQSZACIVSA-N 1 2 345.487 3.736 20 0 EHADLO CC(C)c1cccc2c1CC[N@H+](CN1C[C@H](c3cccnc3)CC1=O)C2 ZINC000788781421 1134174805 /nfs/dbraw/zinc/17/48/05/1134174805.db2.gz FZLOXHFARRJMGJ-LJQANCHMSA-N 1 2 349.478 3.537 20 0 EHADLO CC(C)c1cccc2c1CC[N@@H+](CN1C[C@H](c3cccnc3)CC1=O)C2 ZINC000788781421 1134174808 /nfs/dbraw/zinc/17/48/08/1134174808.db2.gz FZLOXHFARRJMGJ-LJQANCHMSA-N 1 2 349.478 3.537 20 0 EHADLO C[C@H]1CN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C(C)(C)C1 ZINC000746771709 1134190060 /nfs/dbraw/zinc/19/00/60/1134190060.db2.gz HKSGJXAFMZTSCR-NVXWUHKLSA-N 1 2 340.471 3.534 20 0 EHADLO CCc1cc(C[NH+]2CCC(C(=O)c3cnc4ccccc4c3)CC2)on1 ZINC001203232482 1134209330 /nfs/dbraw/zinc/20/93/30/1134209330.db2.gz SWGBHJREVQLUJT-UHFFFAOYSA-N 1 2 349.434 3.880 20 0 EHADLO CNC(=O)CC1(CNc2cc(C)[nH+]c(C3CCC3)n2)CCCCC1 ZINC001187116807 1134295768 /nfs/dbraw/zinc/29/57/68/1134295768.db2.gz NVYNHDWQSMTIDH-UHFFFAOYSA-N 1 2 330.476 3.551 20 0 EHADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCCCF)c2)n1 ZINC000789590477 1134300369 /nfs/dbraw/zinc/30/03/69/1134300369.db2.gz HWMLIFIJPWRALN-UHFFFAOYSA-N 1 2 332.423 3.535 20 0 EHADLO Cn1cc(-c2cc(CNc3cc4cc(F)ccc4c[nH+]3)ccn2)cn1 ZINC001170119085 1134329156 /nfs/dbraw/zinc/32/91/56/1134329156.db2.gz OTWVWTFXARXJML-UHFFFAOYSA-N 1 2 333.370 3.782 20 0 EHADLO COc1ccc2cc(NCc3ccnc(-c4cnn(C)c4)c3)[nH+]cc2c1 ZINC001170119351 1134330059 /nfs/dbraw/zinc/33/00/59/1134330059.db2.gz SFMCDLRBGKNVAY-UHFFFAOYSA-N 1 2 345.406 3.651 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)c1sccc1-c1ccccc1 ZINC000789792423 1134335863 /nfs/dbraw/zinc/33/58/63/1134335863.db2.gz UFXFJGXWPCXMSP-UHFFFAOYSA-N 1 2 326.421 3.938 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000775129025 1134352610 /nfs/dbraw/zinc/35/26/10/1134352610.db2.gz HSTYRLYHIMJEKI-UHFFFAOYSA-N 1 2 348.899 3.769 20 0 EHADLO CCc1ccccc1NC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001187655380 1134361962 /nfs/dbraw/zinc/36/19/62/1134361962.db2.gz UGFRKGKELSTHKR-UHFFFAOYSA-N 1 2 338.455 3.682 20 0 EHADLO O=C(NCc1c[nH+]c2ccc(F)cn12)Nc1ccc(F)c(Cl)c1 ZINC001187721166 1134375045 /nfs/dbraw/zinc/37/50/45/1134375045.db2.gz SDXMHXOHFOVZOO-UHFFFAOYSA-N 1 2 336.729 3.588 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cn4ccc(C)cc4n3)c2)[nH+]c1C ZINC000746884939 1134378504 /nfs/dbraw/zinc/37/85/04/1134378504.db2.gz YOBAZYLTHMMELG-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO CC1(C)C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCS1 ZINC001187739664 1134379323 /nfs/dbraw/zinc/37/93/23/1134379323.db2.gz DZRCKNLDXKTGSB-CYBMUJFWSA-N 1 2 339.468 3.902 20 0 EHADLO CSc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001188082748 1134425850 /nfs/dbraw/zinc/42/58/50/1134425850.db2.gz RVGLPSHYOBLVDO-UHFFFAOYSA-N 1 2 343.452 3.879 20 0 EHADLO C[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1nnnn1C1CC1 ZINC000790538707 1134427408 /nfs/dbraw/zinc/42/74/08/1134427408.db2.gz SUSDSECVNWUJCB-CQSZACIVSA-N 1 2 335.411 3.651 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSC[C@H]1CC2(CCC2)C(=O)O1 ZINC000790564228 1134435660 /nfs/dbraw/zinc/43/56/60/1134435660.db2.gz BSQYCYFMVRIQGP-QGZVFWFLSA-N 1 2 342.464 3.900 20 0 EHADLO CCCCn1nc(C)c(C[NH2+]CCc2ccc3cn[nH]c3c2)c1Cl ZINC000790618885 1134446947 /nfs/dbraw/zinc/44/69/47/1134446947.db2.gz JNZYKPNNZSUKNH-UHFFFAOYSA-N 1 2 345.878 3.854 20 0 EHADLO C[C@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)c1nnnn1C1CC1 ZINC000790756465 1134457788 /nfs/dbraw/zinc/45/77/88/1134457788.db2.gz QABHRNJFDUADGH-ZANVPECISA-N 1 2 335.864 3.549 20 0 EHADLO C[C@@H]1C[NH+](CCSc2ncc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 ZINC001188555827 1134475674 /nfs/dbraw/zinc/47/56/74/1134475674.db2.gz ALGDOQDHTUPBLG-CHWSQXEVSA-N 1 2 336.432 3.682 20 0 EHADLO O=C(Nc1cccc2ccccc21)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001188926585 1134519803 /nfs/dbraw/zinc/51/98/03/1134519803.db2.gz DXHUIVSTUKGGST-UHFFFAOYSA-N 1 2 345.393 3.787 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(Cl)nc1 ZINC000791265152 1134523919 /nfs/dbraw/zinc/52/39/19/1134523919.db2.gz BTPYDIAUSHMTSN-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO CCc1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000791353389 1134539491 /nfs/dbraw/zinc/53/94/91/1134539491.db2.gz XGYNXYBURPNWOC-UHFFFAOYSA-N 1 2 327.409 3.557 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2ncoc2c1 ZINC000791369062 1134541931 /nfs/dbraw/zinc/54/19/31/1134541931.db2.gz WDPYIYXMJPWWKK-UHFFFAOYSA-N 1 2 333.347 3.679 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000791403035 1134545318 /nfs/dbraw/zinc/54/53/18/1134545318.db2.gz FHGLXPIDXVPQBF-MAUKXSAKSA-N 1 2 328.412 3.572 20 0 EHADLO CC(=O)C(C)(C)CCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791413606 1134547417 /nfs/dbraw/zinc/54/74/17/1134547417.db2.gz ADCLVBABOYMQKJ-UHFFFAOYSA-N 1 2 328.412 3.619 20 0 EHADLO CC[N@H+](CCS(=O)(=O)Cc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000791445081 1134552054 /nfs/dbraw/zinc/55/20/54/1134552054.db2.gz KHJOTMAKINVCHN-MRXNPFEDSA-N 1 2 349.471 3.824 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000791445081 1134552059 /nfs/dbraw/zinc/55/20/59/1134552059.db2.gz KHJOTMAKINVCHN-MRXNPFEDSA-N 1 2 349.471 3.824 20 0 EHADLO Nc1cc(COC(=O)/C=C/c2cccc(OC3CCCC3)c2)cc[nH+]1 ZINC000791841135 1134618669 /nfs/dbraw/zinc/61/86/69/1134618669.db2.gz WKERFFLLTOCTRL-CMDGGOBGSA-N 1 2 338.407 3.742 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)OCc3cc[nH+]c(N)c3)c2c1 ZINC000791977702 1134634194 /nfs/dbraw/zinc/63/41/94/1134634194.db2.gz CXQRNEILRQTOLD-UHFFFAOYSA-N 1 2 333.391 3.755 20 0 EHADLO Cc1ccc2cccnc2c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190096616 1134654904 /nfs/dbraw/zinc/65/49/04/1134654904.db2.gz HYHUUBLCXIQQLY-UHFFFAOYSA-N 1 2 328.375 3.981 20 0 EHADLO O=C(NCc1cc(Cl)nc(Cl)c1)c1ccccc1-n1cc[nH+]c1 ZINC001190107613 1134656722 /nfs/dbraw/zinc/65/67/22/1134656722.db2.gz SQCYBQOUMZLUEM-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ncc(Cl)cc1C(F)(F)F ZINC001190705438 1134735329 /nfs/dbraw/zinc/73/53/29/1134735329.db2.gz UPHJGMFEXBFALX-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO CCOc1c(F)cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001190728722 1134743745 /nfs/dbraw/zinc/74/37/45/1134743745.db2.gz MNEXNRUORBIIFF-UHFFFAOYSA-N 1 2 333.750 3.778 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC001191071443 1134787683 /nfs/dbraw/zinc/78/76/83/1134787683.db2.gz VPGWNVDAKCMYAE-HNNXBMFYSA-N 1 2 345.439 3.856 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC001191071443 1134787686 /nfs/dbraw/zinc/78/76/86/1134787686.db2.gz VPGWNVDAKCMYAE-HNNXBMFYSA-N 1 2 345.439 3.856 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(Br)nc1N ZINC001191040783 1134790640 /nfs/dbraw/zinc/79/06/40/1134790640.db2.gz ZPBVBCJWRRHFSN-OAHLLOKOSA-N 1 2 346.272 3.936 20 0 EHADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Br)nc1N ZINC001191040783 1134790645 /nfs/dbraw/zinc/79/06/45/1134790645.db2.gz ZPBVBCJWRRHFSN-OAHLLOKOSA-N 1 2 346.272 3.936 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792902644 1134818304 /nfs/dbraw/zinc/81/83/04/1134818304.db2.gz LWORCQYOOHXNKP-CJNGLKHVSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792902644 1134818308 /nfs/dbraw/zinc/81/83/08/1134818308.db2.gz LWORCQYOOHXNKP-CJNGLKHVSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792902648 1134818331 /nfs/dbraw/zinc/81/83/31/1134818331.db2.gz LWORCQYOOHXNKP-XJKSGUPXSA-N 1 2 341.282 3.758 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792902648 1134818335 /nfs/dbraw/zinc/81/83/35/1134818335.db2.gz LWORCQYOOHXNKP-XJKSGUPXSA-N 1 2 341.282 3.758 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256278 1134825191 /nfs/dbraw/zinc/82/51/91/1134825191.db2.gz HCRQHWXNYXOOAU-YOEHRIQHSA-N 1 2 341.455 3.957 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2ncccc2C)o1 ZINC001191256278 1134825203 /nfs/dbraw/zinc/82/52/03/1134825203.db2.gz HCRQHWXNYXOOAU-YOEHRIQHSA-N 1 2 341.455 3.957 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792921776 1134826776 /nfs/dbraw/zinc/82/67/76/1134826776.db2.gz MYVATOUNRIMOHV-NEPJUHHUSA-N 1 2 334.769 3.897 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792921776 1134826789 /nfs/dbraw/zinc/82/67/89/1134826789.db2.gz MYVATOUNRIMOHV-NEPJUHHUSA-N 1 2 334.769 3.897 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1N1CCCC1 ZINC001191229723 1134831649 /nfs/dbraw/zinc/83/16/49/1134831649.db2.gz FLTFHJBZGKUYQI-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](F)CC1CCCCC1 ZINC000793105151 1134854550 /nfs/dbraw/zinc/85/45/50/1134854550.db2.gz WBSBHRXZPIQNOE-GOSISDBHSA-N 1 2 347.478 3.997 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C=O ZINC000793136942 1134860781 /nfs/dbraw/zinc/86/07/81/1134860781.db2.gz LRDVNWVSQDMNDP-UHFFFAOYSA-N 1 2 337.354 3.693 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@H]2CCC[C@H](OC)C2)n1 ZINC000793154852 1134864767 /nfs/dbraw/zinc/86/47/67/1134864767.db2.gz UIOVQFFWDHPZQY-ZFWWWQNUSA-N 1 2 339.505 3.519 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)Cc1coc2ccc3ccccc3c12 ZINC000793249265 1134888936 /nfs/dbraw/zinc/88/89/36/1134888936.db2.gz FZCKQXUIENWASH-UHFFFAOYSA-N 1 2 334.375 3.648 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccc(Br)cn1 ZINC000793331544 1134906348 /nfs/dbraw/zinc/90/63/48/1134906348.db2.gz BAAJKMUQVXTWAB-SECBINFHSA-N 1 2 326.625 3.743 20 0 EHADLO FC1(F)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000793362023 1134909688 /nfs/dbraw/zinc/90/96/88/1134909688.db2.gz ONFBJSYISGUAFA-UHFFFAOYSA-N 1 2 338.379 3.770 20 0 EHADLO COc1ccc(C(F)(F)F)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001191795374 1134925208 /nfs/dbraw/zinc/92/52/08/1134925208.db2.gz WJTQXCMVPNLMOU-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO C[C@]12CC[N@H+](Cn3nc(C(F)(F)F)sc3=S)C[C@H]1C2(F)F ZINC000793522814 1134945772 /nfs/dbraw/zinc/94/57/72/1134945772.db2.gz FGLJYFKFAWVWSJ-MUWHJKNJSA-N 1 2 345.362 3.627 20 0 EHADLO C[C@]12CC[N@@H+](Cn3nc(C(F)(F)F)sc3=S)C[C@H]1C2(F)F ZINC000793522814 1134945780 /nfs/dbraw/zinc/94/57/80/1134945780.db2.gz FGLJYFKFAWVWSJ-MUWHJKNJSA-N 1 2 345.362 3.627 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC001192057951 1134962871 /nfs/dbraw/zinc/96/28/71/1134962871.db2.gz CYJRGDXLGUAVFL-UHFFFAOYSA-N 1 2 346.434 3.731 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)cc1C ZINC000793571828 1134969893 /nfs/dbraw/zinc/96/98/93/1134969893.db2.gz MIXPGPRDLKJLBC-UHFFFAOYSA-N 1 2 338.499 3.713 20 0 EHADLO Brc1cnc2c(c1)C[N@@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205594589 1135004246 /nfs/dbraw/zinc/00/42/46/1135004246.db2.gz WKKMDRGMIILHOC-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO Brc1cnc2c(c1)C[N@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205594589 1135004251 /nfs/dbraw/zinc/00/42/51/1135004251.db2.gz WKKMDRGMIILHOC-UHFFFAOYSA-N 1 2 342.240 3.884 20 0 EHADLO O=C(c1cccnc1Oc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC001192700317 1135046548 /nfs/dbraw/zinc/04/65/48/1135046548.db2.gz JIUHCSNCZPEOFV-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CSc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc1 ZINC000804442390 1135077451 /nfs/dbraw/zinc/07/74/51/1135077451.db2.gz BKXNGFBPDUBBOI-UHFFFAOYSA-N 1 2 329.473 3.586 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1OC(F)(F)F ZINC001129593960 1135118038 /nfs/dbraw/zinc/11/80/38/1135118038.db2.gz IXLFDCKYTVNULA-UHFFFAOYSA-N 1 2 335.285 3.794 20 0 EHADLO Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC001129715576 1135143534 /nfs/dbraw/zinc/14/35/34/1135143534.db2.gz XJKJBVBBVIFYKL-UHFFFAOYSA-N 1 2 339.370 3.731 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(Cl)n1 ZINC001193591841 1135156217 /nfs/dbraw/zinc/15/62/17/1135156217.db2.gz BMUWWCMMRYRWOV-KRWDZBQOSA-N 1 2 344.821 3.795 20 0 EHADLO Cc1cc(C)c(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)c[nH+]1 ZINC001129842153 1135169168 /nfs/dbraw/zinc/16/91/68/1135169168.db2.gz SHFFUNCZIXECTQ-UHFFFAOYSA-N 1 2 333.435 3.943 20 0 EHADLO COc1cccc(-c2cc(C(=O)Nc3cccc4[nH+]ccn43)c[nH]2)c1 ZINC001193842250 1135185482 /nfs/dbraw/zinc/18/54/82/1135185482.db2.gz ZCNZETUDRULMGS-UHFFFAOYSA-N 1 2 332.363 3.590 20 0 EHADLO CCC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H](C)C(=O)OCC ZINC001194029564 1135216966 /nfs/dbraw/zinc/21/69/66/1135216966.db2.gz HGYZPVKVXDQUPB-NSHDSACASA-N 1 2 333.350 3.575 20 0 EHADLO CCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H](C)C(=O)OCC ZINC001194029564 1135216971 /nfs/dbraw/zinc/21/69/71/1135216971.db2.gz HGYZPVKVXDQUPB-NSHDSACASA-N 1 2 333.350 3.575 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000805016726 1135224629 /nfs/dbraw/zinc/22/46/29/1135224629.db2.gz VWBHGHSMKBZKHR-DYESRHJHSA-N 1 2 349.478 3.795 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001194123004 1135228793 /nfs/dbraw/zinc/22/87/93/1135228793.db2.gz DNHHNSOBLZRCQY-CYBMUJFWSA-N 1 2 342.842 3.922 20 0 EHADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001194123004 1135228795 /nfs/dbraw/zinc/22/87/95/1135228795.db2.gz DNHHNSOBLZRCQY-CYBMUJFWSA-N 1 2 342.842 3.922 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC001194541063 1135283599 /nfs/dbraw/zinc/28/35/99/1135283599.db2.gz BWNVRQUBNWYRDC-JQWIXIFHSA-N 1 2 331.243 3.827 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC001194541063 1135283601 /nfs/dbraw/zinc/28/36/01/1135283601.db2.gz BWNVRQUBNWYRDC-JQWIXIFHSA-N 1 2 331.243 3.827 20 0 EHADLO CCCOc1cccc(C[N@@H+]2C3CCC(CC3)[C@H]2C(=O)OCC)c1 ZINC001194587669 1135288864 /nfs/dbraw/zinc/28/88/64/1135288864.db2.gz BZEPMZZONLNRCE-TVPLGVNVSA-N 1 2 331.456 3.782 20 0 EHADLO CCCOc1cccc(C[N@H+]2C3CCC(CC3)[C@H]2C(=O)OCC)c1 ZINC001194587669 1135288869 /nfs/dbraw/zinc/28/88/69/1135288869.db2.gz BZEPMZZONLNRCE-TVPLGVNVSA-N 1 2 331.456 3.782 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1cc2ccccc2c(Cl)n1 ZINC000805779595 1135325715 /nfs/dbraw/zinc/32/57/15/1135325715.db2.gz AOLIJBBLPGNCPE-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1cc2ccccc2c(Cl)n1 ZINC000805779595 1135325720 /nfs/dbraw/zinc/32/57/20/1135325720.db2.gz AOLIJBBLPGNCPE-UHFFFAOYSA-N 1 2 341.842 3.932 20 0 EHADLO CC[C@H](C)COC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001194835492 1135328762 /nfs/dbraw/zinc/32/87/62/1135328762.db2.gz OYQCPJQDYRHZIF-ZDUSSCGKSA-N 1 2 335.835 3.857 20 0 EHADLO CN(Cc1nc2ccccc2o1)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194894850 1135335745 /nfs/dbraw/zinc/33/57/45/1135335745.db2.gz JFFOHYIUPOCZCR-UHFFFAOYSA-N 1 2 346.390 3.501 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Oc1ccc(F)cc1 ZINC001195031958 1135356174 /nfs/dbraw/zinc/35/61/74/1135356174.db2.gz KLZAEDJRSFQCBV-UHFFFAOYSA-N 1 2 325.343 3.642 20 0 EHADLO Cc1ccc(N(C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000101695935 1135376644 /nfs/dbraw/zinc/37/66/44/1135376644.db2.gz TXYGLELNBSQOHS-UHFFFAOYSA-N 1 2 339.464 3.847 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)o1 ZINC000348222722 1135417793 /nfs/dbraw/zinc/41/77/93/1135417793.db2.gz FWOCJWBKLXLRPS-ZFWWWQNUSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)o1 ZINC000348222722 1135417796 /nfs/dbraw/zinc/41/77/96/1135417796.db2.gz FWOCJWBKLXLRPS-ZFWWWQNUSA-N 1 2 333.407 3.513 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000101903674 1135417887 /nfs/dbraw/zinc/41/78/87/1135417887.db2.gz UGUBMOOBAYIAAW-HNNXBMFYSA-N 1 2 346.500 3.530 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cn3nc(C(C)C)n(C)c3=S)C2)cc1 ZINC000101903674 1135417891 /nfs/dbraw/zinc/41/78/91/1135417891.db2.gz UGUBMOOBAYIAAW-HNNXBMFYSA-N 1 2 346.500 3.530 20 0 EHADLO CCOC(=O)NC(=S)Nc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001195491450 1135432823 /nfs/dbraw/zinc/43/28/23/1135432823.db2.gz YEVMGUAXLPGZJN-UHFFFAOYSA-N 1 2 331.397 3.625 20 0 EHADLO Clc1cc(N2CC[NH+](Cc3ccno3)CC2)cc(Cl)c1Cl ZINC001195612303 1135448344 /nfs/dbraw/zinc/44/83/44/1135448344.db2.gz CZMMYHWCZHUXSK-UHFFFAOYSA-N 1 2 346.645 3.957 20 0 EHADLO CC1(C)C[C@](C)([NH2+]CCCOc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC001195670717 1135449108 /nfs/dbraw/zinc/44/91/08/1135449108.db2.gz SSXRBEJXVAWFEF-INIZCTEOSA-N 1 2 345.361 3.548 20 0 EHADLO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000775668852 1135457494 /nfs/dbraw/zinc/45/74/94/1135457494.db2.gz ZDXSHGVBUMMEPI-TVQRCGJNSA-N 1 2 341.814 3.544 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccn(-c3cccc(F)c3)n2)CC2(CCCC2)O1 ZINC001195795730 1135470443 /nfs/dbraw/zinc/47/04/43/1135470443.db2.gz AQWGAYGPWSMBNE-HNNXBMFYSA-N 1 2 329.419 3.545 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)CC2(CCCC2)O1 ZINC001195795730 1135470446 /nfs/dbraw/zinc/47/04/46/1135470446.db2.gz AQWGAYGPWSMBNE-HNNXBMFYSA-N 1 2 329.419 3.545 20 0 EHADLO C[NH+](C)c1ccc(N2CCC(N[C@@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000806662101 1135481735 /nfs/dbraw/zinc/48/17/35/1135481735.db2.gz JIBPPXWRGRUPKU-KRWDZBQOSA-N 1 2 341.421 3.652 20 0 EHADLO COC(=O)c1cc(CO[NH+]=C(N)c2cccc3ccccc32)oc1C ZINC000775680200 1135504250 /nfs/dbraw/zinc/50/42/50/1135504250.db2.gz DBRQODMOFPZXEL-UHFFFAOYSA-N 1 2 338.363 3.575 20 0 EHADLO Cc1cc(F)ccc1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001196114984 1135522699 /nfs/dbraw/zinc/52/26/99/1135522699.db2.gz AXZOUYXJMMELKA-MRXNPFEDSA-N 1 2 345.443 3.769 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccccc1F ZINC001196165466 1135526590 /nfs/dbraw/zinc/52/65/90/1135526590.db2.gz CSPJEWATDXFGMV-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccccc1F ZINC001196165466 1135526593 /nfs/dbraw/zinc/52/65/93/1135526593.db2.gz CSPJEWATDXFGMV-UHFFFAOYSA-N 1 2 335.810 3.725 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000102393543 1135539910 /nfs/dbraw/zinc/53/99/10/1135539910.db2.gz JWGBPFVISBFUIB-UHFFFAOYSA-N 1 2 345.516 3.881 20 0 EHADLO CN(C)c1ccccc1C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001196358215 1135551447 /nfs/dbraw/zinc/55/14/47/1135551447.db2.gz SVDKESSADNMYLK-UHFFFAOYSA-N 1 2 334.504 3.942 20 0 EHADLO CN(C)c1ccccc1C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001196358215 1135551453 /nfs/dbraw/zinc/55/14/53/1135551453.db2.gz SVDKESSADNMYLK-UHFFFAOYSA-N 1 2 334.504 3.942 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@H]3CC34CCC4)n2)C1 ZINC000867180654 1135576816 /nfs/dbraw/zinc/57/68/16/1135576816.db2.gz HWKRWIDZFOUMJP-IAGOWNOFSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@H]3CC34CCC4)n2)C1 ZINC000867180654 1135576818 /nfs/dbraw/zinc/57/68/18/1135576818.db2.gz HWKRWIDZFOUMJP-IAGOWNOFSA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C(C)(C)C3CC3)n2)C1 ZINC000867182849 1135579230 /nfs/dbraw/zinc/57/92/30/1135579230.db2.gz WEQGARKHTOAMTB-QGZVFWFLSA-N 1 2 341.455 3.639 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C(C)(C)C3CC3)n2)C1 ZINC000867182849 1135579238 /nfs/dbraw/zinc/57/92/38/1135579238.db2.gz WEQGARKHTOAMTB-QGZVFWFLSA-N 1 2 341.455 3.639 20 0 EHADLO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(Cl)c2O)c1 ZINC000775734892 1135591019 /nfs/dbraw/zinc/59/10/19/1135591019.db2.gz BECNYNJZIVRGPM-UHFFFAOYSA-N 1 2 348.830 3.628 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1cccs1 ZINC001196736434 1135605679 /nfs/dbraw/zinc/60/56/79/1135605679.db2.gz MEJACRLGBPOWLP-QGZVFWFLSA-N 1 2 331.481 3.833 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001196773662 1135613744 /nfs/dbraw/zinc/61/37/44/1135613744.db2.gz RSOLRPVIJDGNID-QWHCGFSZSA-N 1 2 340.414 3.761 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001196773662 1135613746 /nfs/dbraw/zinc/61/37/46/1135613746.db2.gz RSOLRPVIJDGNID-QWHCGFSZSA-N 1 2 340.414 3.761 20 0 EHADLO CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833882 1135616260 /nfs/dbraw/zinc/61/62/60/1135616260.db2.gz VACZRGLQHKJPDL-BDJLRTHQSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC001196833882 1135616261 /nfs/dbraw/zinc/61/62/61/1135616261.db2.gz VACZRGLQHKJPDL-BDJLRTHQSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CN2CC3(CCCC3)CC2=O)cc1 ZINC000747456185 1135619660 /nfs/dbraw/zinc/61/96/60/1135619660.db2.gz FDDPDOKJAZQEDH-GOSISDBHSA-N 1 2 344.524 3.835 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CN2CC3(CCCC3)CC2=O)cc1 ZINC000747456185 1135619661 /nfs/dbraw/zinc/61/96/61/1135619661.db2.gz FDDPDOKJAZQEDH-GOSISDBHSA-N 1 2 344.524 3.835 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000808162491 1135619798 /nfs/dbraw/zinc/61/97/98/1135619798.db2.gz LMWJQRIMMWNATB-PKOBYXMFSA-N 1 2 332.513 3.691 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)C1 ZINC000808162491 1135619800 /nfs/dbraw/zinc/61/98/00/1135619800.db2.gz LMWJQRIMMWNATB-PKOBYXMFSA-N 1 2 332.513 3.691 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@](C)(CC)CC1=O)CCC2 ZINC000808170042 1135629454 /nfs/dbraw/zinc/62/94/54/1135629454.db2.gz AOYLWSSDIUHYCS-RDTXWAMCSA-N 1 2 335.517 3.621 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@](C)(CC)CC1=O)CCC2 ZINC000808170042 1135629458 /nfs/dbraw/zinc/62/94/58/1135629458.db2.gz AOYLWSSDIUHYCS-RDTXWAMCSA-N 1 2 335.517 3.621 20 0 EHADLO CC(C)c1cn(C[N@H+](C)Cc2ccccc2N(C)C)c(=S)n1C ZINC000808235580 1135639472 /nfs/dbraw/zinc/63/94/72/1135639472.db2.gz VTLABPYWOIKFEE-UHFFFAOYSA-N 1 2 332.517 3.835 20 0 EHADLO CC(C)c1cn(C[N@@H+](C)Cc2ccccc2N(C)C)c(=S)n1C ZINC000808235580 1135639476 /nfs/dbraw/zinc/63/94/76/1135639476.db2.gz VTLABPYWOIKFEE-UHFFFAOYSA-N 1 2 332.517 3.835 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC001197013133 1135640170 /nfs/dbraw/zinc/64/01/70/1135640170.db2.gz MKGUDOHVFDPQJH-KPFFTGBYSA-N 1 2 333.472 3.664 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC001197013133 1135640172 /nfs/dbraw/zinc/64/01/72/1135640172.db2.gz MKGUDOHVFDPQJH-KPFFTGBYSA-N 1 2 333.472 3.664 20 0 EHADLO OCC[C@H]([NH2+]Cc1occc1Br)c1ccc(Cl)cc1 ZINC000808430771 1135674989 /nfs/dbraw/zinc/67/49/89/1135674989.db2.gz YRLIEALVWWLPLC-ZDUSSCGKSA-N 1 2 344.636 3.909 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)c1cc(F)ccc1F)C2 ZINC001197412423 1135688898 /nfs/dbraw/zinc/68/88/98/1135688898.db2.gz FWPJDSOYRYLALZ-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1cc(F)ccc1F)C2 ZINC001197412423 1135688900 /nfs/dbraw/zinc/68/89/00/1135688900.db2.gz FWPJDSOYRYLALZ-GFCCVEGCSA-N 1 2 331.362 3.871 20 0 EHADLO CCS[C@H](C)c1noc(CN2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001197710186 1135728498 /nfs/dbraw/zinc/72/84/98/1135728498.db2.gz FOQPKCKEWPLXDA-CHWSQXEVSA-N 1 2 335.477 3.561 20 0 EHADLO S=C(Nc1ccc2[nH+]ccn2c1)Nc1ccccc1Br ZINC001197755738 1135735619 /nfs/dbraw/zinc/73/56/19/1135735619.db2.gz XDLKGSVBSGCOOI-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000828123957 1135763023 /nfs/dbraw/zinc/76/30/23/1135763023.db2.gz XXJAWQAFOWTOGL-QGZVFWFLSA-N 1 2 341.398 3.667 20 0 EHADLO CC(C)CC(=O)CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000828123957 1135763027 /nfs/dbraw/zinc/76/30/27/1135763027.db2.gz XXJAWQAFOWTOGL-QGZVFWFLSA-N 1 2 341.398 3.667 20 0 EHADLO Cc1ccc(NC(=S)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC001197982861 1135763306 /nfs/dbraw/zinc/76/33/06/1135763306.db2.gz VEGGDNSNZBDISN-INIZCTEOSA-N 1 2 327.453 3.549 20 0 EHADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001197988088 1135763853 /nfs/dbraw/zinc/76/38/53/1135763853.db2.gz GPPNIKCFWNEKNG-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001197988088 1135763856 /nfs/dbraw/zinc/76/38/56/1135763856.db2.gz GPPNIKCFWNEKNG-MRXNPFEDSA-N 1 2 340.423 3.528 20 0 EHADLO Cc1ccccc1NC(=S)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001198448279 1135821065 /nfs/dbraw/zinc/82/10/65/1135821065.db2.gz CAVXMRFLVAYRJN-UHFFFAOYSA-N 1 2 340.496 3.593 20 0 EHADLO CCCC[C@H](CC)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001131732699 1135845367 /nfs/dbraw/zinc/84/53/67/1135845367.db2.gz JBFNZEROUGWABL-SFHVURJKSA-N 1 2 332.488 3.556 20 0 EHADLO CC(C)Cn1cc(Nc2cc(Br)c3[nH+]ccn3c2)cn1 ZINC001205850239 1135849303 /nfs/dbraw/zinc/84/93/03/1135849303.db2.gz HUWWPWTUOPMYPU-UHFFFAOYSA-N 1 2 334.221 3.693 20 0 EHADLO CC[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@@H]1CCCO1 ZINC000809552503 1135855539 /nfs/dbraw/zinc/85/55/39/1135855539.db2.gz WYZPKQUAPIYZMB-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO CC[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@@H]1CCCO1 ZINC000809552503 1135855543 /nfs/dbraw/zinc/85/55/43/1135855543.db2.gz WYZPKQUAPIYZMB-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)c2ccccc21 ZINC000809754473 1135886451 /nfs/dbraw/zinc/88/64/51/1135886451.db2.gz CKRGCSKOUGTHBM-FQEVSTJZSA-N 1 2 349.455 3.972 20 0 EHADLO COC(=O)c1occc1C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000775969444 1135906834 /nfs/dbraw/zinc/90/68/34/1135906834.db2.gz OAYIYUOGXBKANN-UHFFFAOYSA-N 1 2 338.363 3.543 20 0 EHADLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cccc1N(C)C ZINC000775985929 1135910135 /nfs/dbraw/zinc/91/01/35/1135910135.db2.gz AFFVVATVFHLZPH-UHFFFAOYSA-N 1 2 334.423 3.558 20 0 EHADLO CC[C@@H](C)n1nc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C ZINC000776025675 1135929194 /nfs/dbraw/zinc/92/91/94/1135929194.db2.gz AZRNRNLSOBNFOT-GFCCVEGCSA-N 1 2 345.447 3.505 20 0 EHADLO S=C(NCC1CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001199923360 1135938283 /nfs/dbraw/zinc/93/82/83/1135938283.db2.gz VVYMDHXZMVUDTC-UHFFFAOYSA-N 1 2 328.485 3.798 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Oc1ccccc1Cl ZINC000810522684 1135969475 /nfs/dbraw/zinc/96/94/75/1135969475.db2.gz JPENSWADKPRXEG-UHFFFAOYSA-N 1 2 326.783 3.733 20 0 EHADLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000810646668 1135989381 /nfs/dbraw/zinc/98/93/81/1135989381.db2.gz DJIAFVWEQHNBKH-MRXNPFEDSA-N 1 2 326.440 3.986 20 0 EHADLO CCCOc1c(CNc2ccc(N(C)C)c[nH+]2)cccc1OCC ZINC001201180082 1135992536 /nfs/dbraw/zinc/99/25/36/1135992536.db2.gz QYCCATZZZVHIFA-UHFFFAOYSA-N 1 2 329.444 3.947 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810695748 1135997476 /nfs/dbraw/zinc/99/74/76/1135997476.db2.gz HTKBQIWSCGNYME-XLIONFOSSA-N 1 2 326.440 3.699 20 0 EHADLO Cc1cc(Cl)c(C)nc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623973 1136003083 /nfs/dbraw/zinc/00/30/83/1136003083.db2.gz TVKZBLOAHXPOGY-AWEZNQCLSA-N 1 2 329.822 3.662 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(-c2ccccc2Br)n1 ZINC001201278879 1136003720 /nfs/dbraw/zinc/00/37/20/1136003720.db2.gz IVGKZQZBCMSNDL-UHFFFAOYSA-N 1 2 344.216 3.664 20 0 EHADLO CCc1ccccc1NC(=S)NCCc1cn2cccc(C)c2[nH+]1 ZINC000747659134 1136027048 /nfs/dbraw/zinc/02/70/48/1136027048.db2.gz OROLTCIIKZFXCG-UHFFFAOYSA-N 1 2 338.480 3.734 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3ccc(F)cc3s2)c1C ZINC000747672349 1136039971 /nfs/dbraw/zinc/03/99/71/1136039971.db2.gz VPZWPGWRUKXHAG-UHFFFAOYSA-N 1 2 344.411 3.991 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCCc3ccc(Cl)c(C)c3)ccn12 ZINC001273918117 1136078492 /nfs/dbraw/zinc/07/84/92/1136078492.db2.gz YTWRYZSVDMHMRS-UHFFFAOYSA-N 1 2 327.815 3.577 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1c(F)cccc1F ZINC001202037963 1136089797 /nfs/dbraw/zinc/08/97/97/1136089797.db2.gz YMCYTYYVGKEQHK-UHFFFAOYSA-N 1 2 342.349 3.814 20 0 EHADLO CCc1cccc(Cl)c1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001203985696 1136130148 /nfs/dbraw/zinc/13/01/48/1136130148.db2.gz ATEJKGQFBZTUGV-UHFFFAOYSA-N 1 2 331.769 3.945 20 0 EHADLO c1csc(-c2ccn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000811790836 1136140696 /nfs/dbraw/zinc/14/06/96/1136140696.db2.gz OJZMBKJPXBSLGD-RDJZCZTQSA-N 1 2 329.469 3.603 20 0 EHADLO c1csc(-c2ccn(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000811790836 1136140700 /nfs/dbraw/zinc/14/07/00/1136140700.db2.gz OJZMBKJPXBSLGD-RDJZCZTQSA-N 1 2 329.469 3.603 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@H+](C)C[C@H]3CCCOC3)c(=S)o2)c1 ZINC000107669881 1136175459 /nfs/dbraw/zinc/17/54/59/1136175459.db2.gz QHRDBPMGUKLIBK-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO Cc1cc(C)cc(-c2nn(C[N@@H+](C)C[C@H]3CCCOC3)c(=S)o2)c1 ZINC000107669881 1136175463 /nfs/dbraw/zinc/17/54/63/1136175463.db2.gz QHRDBPMGUKLIBK-OAHLLOKOSA-N 1 2 347.484 3.805 20 0 EHADLO COc1c(C)cc(C[N@H+](C)Cc2cn(-c3ccccc3)nn2)cc1C ZINC000338923964 1136178731 /nfs/dbraw/zinc/17/87/31/1136178731.db2.gz JEZFYULGPRZJJK-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO COc1c(C)cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nn2)cc1C ZINC000338923964 1136178735 /nfs/dbraw/zinc/17/87/35/1136178735.db2.gz JEZFYULGPRZJJK-UHFFFAOYSA-N 1 2 336.439 3.525 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3ccc(F)c(F)c3F)cc2)CC1 ZINC000850050623 1136203424 /nfs/dbraw/zinc/20/34/24/1136203424.db2.gz UILIXUCVNSSPSW-UHFFFAOYSA-N 1 2 336.357 3.677 20 0 EHADLO Cc1[nH]c(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)[nH+]c1C ZINC000850254123 1136227510 /nfs/dbraw/zinc/22/75/10/1136227510.db2.gz OTXCDEAVKBZISS-CYBMUJFWSA-N 1 2 335.835 3.707 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)n(C)c1C ZINC000812756873 1136244346 /nfs/dbraw/zinc/24/43/46/1136244346.db2.gz AKMRSDAUBVRTAU-NSHDSACASA-N 1 2 335.473 3.551 20 0 EHADLO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000850457899 1136263228 /nfs/dbraw/zinc/26/32/28/1136263228.db2.gz PQYDMRFKZPSZCY-HZPDHXFCSA-N 1 2 348.487 3.692 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)o2)c1 ZINC000776480575 1136294597 /nfs/dbraw/zinc/29/45/97/1136294597.db2.gz WVDJGWYKQBBROY-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)o2)c1 ZINC000776480575 1136294599 /nfs/dbraw/zinc/29/45/99/1136294599.db2.gz WVDJGWYKQBBROY-OAHLLOKOSA-N 1 2 326.440 3.846 20 0 EHADLO CSc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(C)o1 ZINC000850840437 1136310381 /nfs/dbraw/zinc/31/03/81/1136310381.db2.gz SNORDQDVAGUNGY-UHFFFAOYSA-N 1 2 349.452 3.820 20 0 EHADLO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265940464 1136353029 /nfs/dbraw/zinc/35/30/29/1136353029.db2.gz FRJZKLQFMCSODO-INIZCTEOSA-N 1 2 337.423 3.813 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@]1(O)C(F)(F)F ZINC001137649405 1136357265 /nfs/dbraw/zinc/35/72/65/1136357265.db2.gz DLPFMTAWANSZRA-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@]1(O)C(F)(F)F ZINC001137649405 1136357268 /nfs/dbraw/zinc/35/72/68/1136357268.db2.gz DLPFMTAWANSZRA-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC2(CC2)C1 ZINC000851402158 1136376732 /nfs/dbraw/zinc/37/67/32/1136376732.db2.gz ULKXSUMYRDFISV-QGZVFWFLSA-N 1 2 328.456 3.812 20 0 EHADLO C/C(=C/C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000851401941 1136376798 /nfs/dbraw/zinc/37/67/98/1136376798.db2.gz SGCCUFBIOVKKAZ-SQFISAMPSA-N 1 2 326.396 3.538 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc2cnccc2c1 ZINC000851400732 1136376819 /nfs/dbraw/zinc/37/68/19/1136376819.db2.gz NVAHXJPRIUHTMO-UHFFFAOYSA-N 1 2 347.418 3.703 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc2[nH]ccc2s1 ZINC000851400854 1136377128 /nfs/dbraw/zinc/37/71/28/1136377128.db2.gz UBWAAYUDXABMJB-UHFFFAOYSA-N 1 2 341.436 3.698 20 0 EHADLO COC(=O)Cc1ccccc1C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC001170723896 1136402454 /nfs/dbraw/zinc/40/24/54/1136402454.db2.gz WYGREFFHKKMDPZ-UHFFFAOYSA-N 1 2 347.817 3.753 20 0 EHADLO COC(=O)Cc1ccccc1C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC001170723896 1136402457 /nfs/dbraw/zinc/40/24/57/1136402457.db2.gz WYGREFFHKKMDPZ-UHFFFAOYSA-N 1 2 347.817 3.753 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(F)n1 ZINC000747925238 1136424500 /nfs/dbraw/zinc/42/45/00/1136424500.db2.gz DVZBHGUGGNEPMR-UHFFFAOYSA-N 1 2 330.794 3.658 20 0 EHADLO COc1cccc(SCC[N@H+](C)Cc2c(C)nn(C)c2Cl)c1 ZINC000851995246 1136426085 /nfs/dbraw/zinc/42/60/85/1136426085.db2.gz ZOMCVDOLXKLQSF-UHFFFAOYSA-N 1 2 339.892 3.615 20 0 EHADLO COc1cccc(SCC[N@@H+](C)Cc2c(C)nn(C)c2Cl)c1 ZINC000851995246 1136426088 /nfs/dbraw/zinc/42/60/88/1136426088.db2.gz ZOMCVDOLXKLQSF-UHFFFAOYSA-N 1 2 339.892 3.615 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC(C2CCC2)CC1 ZINC000852016794 1136428029 /nfs/dbraw/zinc/42/80/29/1136428029.db2.gz LQKSYABQTWKIGG-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO CCc1oc(C[NH2+][C@@](C)(CC)c2nc(C)cs2)cc1C(=O)OC ZINC000338943227 1136444171 /nfs/dbraw/zinc/44/41/71/1136444171.db2.gz WDZAFIPNXDPFTB-KRWDZBQOSA-N 1 2 336.457 3.809 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000265951270 1136447985 /nfs/dbraw/zinc/44/79/85/1136447985.db2.gz ZUPBIMHENHXLQV-HXUWFJFHSA-N 1 2 345.446 3.636 20 0 EHADLO COc1ccc2c(C[N@@H+]3CC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000852466411 1136458110 /nfs/dbraw/zinc/45/81/10/1136458110.db2.gz CRUZDWXUFXMNRX-SFHVURJKSA-N 1 2 339.366 3.888 20 0 EHADLO COc1ccc2c(C[N@H+]3CC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000852466411 1136458114 /nfs/dbraw/zinc/45/81/14/1136458114.db2.gz CRUZDWXUFXMNRX-SFHVURJKSA-N 1 2 339.366 3.888 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000852675244 1136476399 /nfs/dbraw/zinc/47/63/99/1136476399.db2.gz OJJJADOJMXXSKH-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO CN(C)c1ccc(C2CC[NH+](Cc3nnc(C(C)(C)C)[nH]3)CC2)cc1 ZINC000814632552 1136482796 /nfs/dbraw/zinc/48/27/96/1136482796.db2.gz POIRBSMUSVRPOE-UHFFFAOYSA-N 1 2 341.503 3.548 20 0 EHADLO ClC1(c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000853001582 1136496878 /nfs/dbraw/zinc/49/68/78/1136496878.db2.gz UWNYWWCSIOHKCM-CQSZACIVSA-N 1 2 334.872 3.945 20 0 EHADLO ClC1(c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000853001582 1136496882 /nfs/dbraw/zinc/49/68/82/1136496882.db2.gz UWNYWWCSIOHKCM-CQSZACIVSA-N 1 2 334.872 3.945 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccsc1Cl ZINC000853134234 1136512900 /nfs/dbraw/zinc/51/29/00/1136512900.db2.gz SYJQHIRDIJQLOC-UHFFFAOYSA-N 1 2 336.844 3.870 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111171751 1136519393 /nfs/dbraw/zinc/51/93/93/1136519393.db2.gz PJVULDKCJLQQKA-ZDUSSCGKSA-N 1 2 334.876 3.849 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111171751 1136519397 /nfs/dbraw/zinc/51/93/97/1136519397.db2.gz PJVULDKCJLQQKA-ZDUSSCGKSA-N 1 2 334.876 3.849 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000111278198 1136528746 /nfs/dbraw/zinc/52/87/46/1136528746.db2.gz YQDZCXCMBQANSL-ODNSNXTGSA-N 1 2 343.492 3.645 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000111278198 1136528749 /nfs/dbraw/zinc/52/87/49/1136528749.db2.gz YQDZCXCMBQANSL-ODNSNXTGSA-N 1 2 343.492 3.645 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c(=O)c1 ZINC000853503881 1136539119 /nfs/dbraw/zinc/53/91/19/1136539119.db2.gz GEHSRGPTDZCIIW-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(O)c(=O)c1 ZINC000853503881 1136539122 /nfs/dbraw/zinc/53/91/22/1136539122.db2.gz GEHSRGPTDZCIIW-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cn2cc(C)cnc2=S)cc1F ZINC000853563158 1136544644 /nfs/dbraw/zinc/54/46/44/1136544644.db2.gz MKAHJTNIHKOAIR-HNNXBMFYSA-N 1 2 333.432 3.863 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cn2cc(C)cnc2=S)cc1F ZINC000853563158 1136544645 /nfs/dbraw/zinc/54/46/45/1136544645.db2.gz MKAHJTNIHKOAIR-HNNXBMFYSA-N 1 2 333.432 3.863 20 0 EHADLO Cc1nc(NCc2cc(F)cnc2Cl)c(Br)c(C)[nH+]1 ZINC000853651815 1136552836 /nfs/dbraw/zinc/55/28/36/1136552836.db2.gz QDFLUTWQMYXVTK-UHFFFAOYSA-N 1 2 345.603 3.656 20 0 EHADLO CCc1ncc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)s1 ZINC000776692855 1136566492 /nfs/dbraw/zinc/56/64/92/1136566492.db2.gz DZLAQMDKTUMSBZ-CHWSQXEVSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)s1 ZINC000776692855 1136566495 /nfs/dbraw/zinc/56/64/95/1136566495.db2.gz DZLAQMDKTUMSBZ-CHWSQXEVSA-N 1 2 339.505 3.535 20 0 EHADLO CC[C@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)Oc1ccccc1C ZINC001137050876 1136577767 /nfs/dbraw/zinc/57/77/67/1136577767.db2.gz WDHJGJMCSIYBDZ-QZTJIDSGSA-N 1 2 343.471 3.753 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC=CCCC1 ZINC001134953769 1136577991 /nfs/dbraw/zinc/57/79/91/1136577991.db2.gz QYAFDGPERINXRO-CQSZACIVSA-N 1 2 347.409 3.876 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000853997920 1136579214 /nfs/dbraw/zinc/57/92/14/1136579214.db2.gz PTMGHQRDFUXTTH-MRXNPFEDSA-N 1 2 348.454 3.708 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3CC(C)(C)C3)n2)O1 ZINC000854107735 1136588138 /nfs/dbraw/zinc/58/81/38/1136588138.db2.gz PZWJLNULNWBWSS-RHSMWYFYSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3CC(C)(C)C3)n2)O1 ZINC000854107735 1136588140 /nfs/dbraw/zinc/58/81/40/1136588140.db2.gz PZWJLNULNWBWSS-RHSMWYFYSA-N 1 2 341.455 3.935 20 0 EHADLO CC(C)c1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000854265663 1136602944 /nfs/dbraw/zinc/60/29/44/1136602944.db2.gz RTDSLOGZWCUMNP-UHFFFAOYSA-N 1 2 338.451 3.895 20 0 EHADLO CC1(C)CCC[N@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000112695267 1136647156 /nfs/dbraw/zinc/64/71/56/1136647156.db2.gz JXPCFEWOPGUZJJ-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO CC1(C)CCC[N@@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000112695267 1136647158 /nfs/dbraw/zinc/64/71/58/1136647158.db2.gz JXPCFEWOPGUZJJ-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000855596038 1136711965 /nfs/dbraw/zinc/71/19/65/1136711965.db2.gz QJCUJYLSPYUUPA-NRFANRHFSA-N 1 2 339.483 3.874 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816830596 1136758565 /nfs/dbraw/zinc/75/85/65/1136758565.db2.gz MQPSDNIXPHQOIQ-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000817274185 1136793193 /nfs/dbraw/zinc/79/31/93/1136793193.db2.gz FPDFUGOJFGOCFQ-BBRMVZONSA-N 1 2 337.851 3.535 20 0 EHADLO Cn1cc(Cl)c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000817274185 1136793194 /nfs/dbraw/zinc/79/31/94/1136793194.db2.gz FPDFUGOJFGOCFQ-BBRMVZONSA-N 1 2 337.851 3.535 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(N3CCCC3)c(F)c2)cc(C)[nH+]1 ZINC000817303747 1136795158 /nfs/dbraw/zinc/79/51/58/1136795158.db2.gz OKBDWDYEEHAFKX-UHFFFAOYSA-N 1 2 342.418 3.759 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1=S ZINC000114445212 1136798309 /nfs/dbraw/zinc/79/83/09/1136798309.db2.gz KTNSDTILQQQNBB-CQSZACIVSA-N 1 2 346.422 3.756 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1=S ZINC000114445212 1136798311 /nfs/dbraw/zinc/79/83/11/1136798311.db2.gz KTNSDTILQQQNBB-CQSZACIVSA-N 1 2 346.422 3.756 20 0 EHADLO COC(=O)c1cc(CNc2ccc([NH+](C)C)cc2C)n2c1CCCC2 ZINC000856766617 1136808330 /nfs/dbraw/zinc/80/83/30/1136808330.db2.gz HQYGPJAUWAJNLN-UHFFFAOYSA-N 1 2 341.455 3.598 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000776897687 1136808526 /nfs/dbraw/zinc/80/85/26/1136808526.db2.gz JWOFJAYWGKEHJS-UHFFFAOYSA-N 1 2 341.361 3.632 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776909 1136810279 /nfs/dbraw/zinc/81/02/79/1136810279.db2.gz LFRHKKFIWPXNCX-MRVPVSSYSA-N 1 2 347.772 3.524 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1ccc(Br)cc1F ZINC000856788922 1136811424 /nfs/dbraw/zinc/81/14/24/1136811424.db2.gz XDUNBPDSTZXBIP-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO COc1cccc2c(N3CCC[C@@](CO)(c4ccccc4)C3)cc[nH+]c12 ZINC000509496134 1136813221 /nfs/dbraw/zinc/81/32/21/1136813221.db2.gz RDVUJWKMTQCATO-JOCHJYFZSA-N 1 2 348.446 3.774 20 0 EHADLO Cc1nc(SCc2cccc(C[NH+]3CCOCC3)c2)sc1C ZINC000817579772 1136824432 /nfs/dbraw/zinc/82/44/32/1136824432.db2.gz DMVOEVKKTRWZSM-UHFFFAOYSA-N 1 2 334.510 3.884 20 0 EHADLO CCCOc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136104638 1136860743 /nfs/dbraw/zinc/86/07/43/1136860743.db2.gz MIWILXHYPFZSCI-UHFFFAOYSA-N 1 2 337.379 3.619 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000818180831 1136863257 /nfs/dbraw/zinc/86/32/57/1136863257.db2.gz LTQNAWXJZLFAPB-UHFFFAOYSA-N 1 2 332.835 3.856 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000818195760 1136865617 /nfs/dbraw/zinc/86/56/17/1136865617.db2.gz KJSAPIXBPNEWIQ-RBUKOAKNSA-N 1 2 329.444 3.758 20 0 EHADLO Cc1noc(C[C@H]([NH2+]Cc2nc3ccccc3o2)c2ccccc2)n1 ZINC000429543302 1136904617 /nfs/dbraw/zinc/90/46/17/1136904617.db2.gz VKXBAFKVPALAFC-INIZCTEOSA-N 1 2 334.379 3.593 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857245 1136914187 /nfs/dbraw/zinc/91/41/87/1136914187.db2.gz ROUMPHLDCGYWOI-LBPRGKRZSA-N 1 2 327.762 3.832 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857857245 1136914190 /nfs/dbraw/zinc/91/41/90/1136914190.db2.gz ROUMPHLDCGYWOI-LBPRGKRZSA-N 1 2 327.762 3.832 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCc4nc(C(C)C)ncc4C3)oc21 ZINC000857877451 1136916796 /nfs/dbraw/zinc/91/67/96/1136916796.db2.gz FGZZELOZIZLHFH-UHFFFAOYSA-N 1 2 337.423 3.913 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCc4nc(C(C)C)ncc4C3)oc21 ZINC000857877451 1136916802 /nfs/dbraw/zinc/91/68/02/1136916802.db2.gz FGZZELOZIZLHFH-UHFFFAOYSA-N 1 2 337.423 3.913 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857975552 1136927075 /nfs/dbraw/zinc/92/70/75/1136927075.db2.gz PAYKZQBPQHJMNI-JKSUJKDBSA-N 1 2 331.847 3.927 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986049 1136927400 /nfs/dbraw/zinc/92/74/00/1136927400.db2.gz LAEUGRQQBHHBGK-YOEHRIQHSA-N 1 2 326.444 3.523 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000857990458 1136927895 /nfs/dbraw/zinc/92/78/95/1136927895.db2.gz UXFZVTMEQDVNHU-GOSISDBHSA-N 1 2 334.423 3.508 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCNc3[nH+]cc(C)cc32)c1 ZINC000857997712 1136928241 /nfs/dbraw/zinc/92/82/41/1136928241.db2.gz SEGMHPJNEPOSTP-UHFFFAOYSA-N 1 2 339.439 3.706 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)oc1C ZINC000858016293 1136931380 /nfs/dbraw/zinc/93/13/80/1136931380.db2.gz KVLUQENJBLKVEG-KRWDZBQOSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)oc1C ZINC000858016293 1136931382 /nfs/dbraw/zinc/93/13/82/1136931382.db2.gz KVLUQENJBLKVEG-KRWDZBQOSA-N 1 2 327.428 3.607 20 0 EHADLO Cc1cc(NC[C@H](O)COCc2ccc(Cl)cc2)ccc1[NH+](C)C ZINC000819408183 1136936656 /nfs/dbraw/zinc/93/66/56/1136936656.db2.gz NFPYRUAPJOJQLO-SFHVURJKSA-N 1 2 348.874 3.704 20 0 EHADLO COc1ncccc1C[NH2+]Cc1cc(C)c(F)cc1Br ZINC000858094854 1136939292 /nfs/dbraw/zinc/93/92/92/1136939292.db2.gz JNHVIFYUFKGUBH-UHFFFAOYSA-N 1 2 339.208 3.590 20 0 EHADLO CC1CCC(=CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000819749640 1136960853 /nfs/dbraw/zinc/96/08/53/1136960853.db2.gz UKCJODCLNTYBMO-UHFFFAOYSA-N 1 2 347.528 3.744 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)n1 ZINC000858427843 1136967036 /nfs/dbraw/zinc/96/70/36/1136967036.db2.gz MBSBETZSSUWJKS-SECBINFHSA-N 1 2 330.329 3.615 20 0 EHADLO C[C@H](C(=O)O[C@H](C(=O)C1CC1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820393173 1136989869 /nfs/dbraw/zinc/98/98/69/1136989869.db2.gz KQOJXRVYZCQQGW-GJRWTSMGSA-N 1 2 329.440 3.511 20 0 EHADLO C[C@H](C(=O)O[C@H](C(=O)C1CC1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000820393173 1136989871 /nfs/dbraw/zinc/98/98/71/1136989871.db2.gz KQOJXRVYZCQQGW-GJRWTSMGSA-N 1 2 329.440 3.511 20 0 EHADLO Brc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000820614951 1136998357 /nfs/dbraw/zinc/99/83/57/1136998357.db2.gz BAYPOJASVHKELK-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)nc2c1 ZINC000859131149 1137004318 /nfs/dbraw/zinc/00/43/18/1137004318.db2.gz MCWZVPSNZWUYNG-CYBMUJFWSA-N 1 2 347.484 3.704 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)nc2c1 ZINC000859131149 1137004319 /nfs/dbraw/zinc/00/43/19/1137004319.db2.gz MCWZVPSNZWUYNG-CYBMUJFWSA-N 1 2 347.484 3.704 20 0 EHADLO Cc1cc(CNC(=O)OCc2ccc(Br)cc2)cc(C)[nH+]1 ZINC000859194490 1137007133 /nfs/dbraw/zinc/00/71/33/1137007133.db2.gz ONERZZVBBWZCJD-UHFFFAOYSA-N 1 2 349.228 3.887 20 0 EHADLO Cn1nc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1Cl ZINC000859230992 1137009101 /nfs/dbraw/zinc/00/91/01/1137009101.db2.gz PMCGYPXNTQGASB-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3cc(Cl)n(C)n3)c(C)c2c1 ZINC000859250947 1137009402 /nfs/dbraw/zinc/00/94/02/1137009402.db2.gz RLCZNVKQWVFQHS-LLVKDONJSA-N 1 2 333.819 3.988 20 0 EHADLO C[N@H+](CCc1ccccn1)Cc1nc(Cl)ccc1Br ZINC000820881287 1137009861 /nfs/dbraw/zinc/00/98/61/1137009861.db2.gz VTPVOJFFXTXPGF-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[N@@H+](CCc1ccccn1)Cc1nc(Cl)ccc1Br ZINC000820881287 1137009862 /nfs/dbraw/zinc/00/98/62/1137009862.db2.gz VTPVOJFFXTXPGF-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO CC(C)(C)OC(=O)N1CC(CC[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000859335834 1137012013 /nfs/dbraw/zinc/01/20/13/1137012013.db2.gz HFSJCJPRQLTVGE-UHFFFAOYSA-N 1 2 338.398 3.537 20 0 EHADLO Fc1cccc([C@@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CCO2)c1 ZINC000821368267 1137024893 /nfs/dbraw/zinc/02/48/93/1137024893.db2.gz MOQPFLYXBHBUMN-CBNMVNINSA-N 1 2 341.426 3.947 20 0 EHADLO Fc1cccc([C@@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CCO2)c1 ZINC000821368267 1137024894 /nfs/dbraw/zinc/02/48/94/1137024894.db2.gz MOQPFLYXBHBUMN-CBNMVNINSA-N 1 2 341.426 3.947 20 0 EHADLO Cc1cc(F)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1N ZINC001136460380 1137031201 /nfs/dbraw/zinc/03/12/01/1137031201.db2.gz AJUMWKQYUHHSON-UHFFFAOYSA-N 1 2 344.777 3.808 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001137660291 1137036061 /nfs/dbraw/zinc/03/60/61/1137036061.db2.gz BWZYXFRRFQKROF-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001137660291 1137036064 /nfs/dbraw/zinc/03/60/64/1137036064.db2.gz BWZYXFRRFQKROF-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC1(C)C[C@@H](C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000860074071 1137043499 /nfs/dbraw/zinc/04/34/99/1137043499.db2.gz RWTOYXZXMZGDTE-INIZCTEOSA-N 1 2 328.412 3.509 20 0 EHADLO CC(C)C[C@H](C(=O)NCCCc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001136536614 1137047158 /nfs/dbraw/zinc/04/71/58/1137047158.db2.gz GIKDWZMTPHYUOL-QGZVFWFLSA-N 1 2 333.863 3.873 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001136536613 1137047199 /nfs/dbraw/zinc/04/71/99/1137047199.db2.gz GIKDWZMTPHYUOL-KRWDZBQOSA-N 1 2 333.863 3.873 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001136581281 1137056912 /nfs/dbraw/zinc/05/69/12/1137056912.db2.gz PZFHFUONJNEKQQ-MCIONIFRSA-N 1 2 343.393 3.875 20 0 EHADLO O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CCC[C@H]1C1CCC1 ZINC001136585987 1137059856 /nfs/dbraw/zinc/05/98/56/1137059856.db2.gz AROCIUWDERDKOG-KSZLIROESA-N 1 2 327.472 3.843 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000822476596 1137061408 /nfs/dbraw/zinc/06/14/08/1137061408.db2.gz QMTLYKUEPPPBJJ-IBGZPJMESA-N 1 2 341.455 3.562 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@H](C)[C@@H]3CCCO3)c2)[nH+]c1C ZINC000823353206 1137096062 /nfs/dbraw/zinc/09/60/62/1137096062.db2.gz NGGKUQJRDGKKDF-PXAZEXFGSA-N 1 2 327.428 3.837 20 0 EHADLO CCc1ccc([C@@H](C)c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823392543 1137097756 /nfs/dbraw/zinc/09/77/56/1137097756.db2.gz AJWRZZWSLINKAU-DOMZBBRYSA-N 1 2 345.443 3.515 20 0 EHADLO C/C(=C\c1ccc(F)cc1)c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394275 1137097821 /nfs/dbraw/zinc/09/78/21/1137097821.db2.gz XUSBAOWNXOFCAT-MARXPDLDSA-N 1 2 347.390 3.501 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2csc3ccccc23)n1 ZINC000823397019 1137098113 /nfs/dbraw/zinc/09/81/13/1137098113.db2.gz HCZZZOXORNBIGE-LBPRGKRZSA-N 1 2 345.424 3.683 20 0 EHADLO CCC(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000861444368 1137106854 /nfs/dbraw/zinc/10/68/54/1137106854.db2.gz YXSCPWKQBIDPMJ-QGZVFWFLSA-N 1 2 342.443 3.712 20 0 EHADLO COc1cc(Cl)ccc1OC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823746575 1137112317 /nfs/dbraw/zinc/11/23/17/1137112317.db2.gz PZPFFKVBWCOZCU-GFCCVEGCSA-N 1 2 348.708 3.644 20 0 EHADLO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000824244765 1137130030 /nfs/dbraw/zinc/13/00/30/1137130030.db2.gz LGHBZUZFKRCVLM-WMZOPIPTSA-N 1 2 345.393 3.704 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC001136857397 1137132567 /nfs/dbraw/zinc/13/25/67/1137132567.db2.gz CQRBQBAAROSNPE-VQIMIIECSA-N 1 2 340.471 3.694 20 0 EHADLO Clc1cccc2[nH]c(CN3CC[NH+](Cc4ccco4)CC3)cc21 ZINC001136861415 1137133747 /nfs/dbraw/zinc/13/37/47/1137133747.db2.gz ZQDPZSQNAGPKNJ-UHFFFAOYSA-N 1 2 329.831 3.732 20 0 EHADLO Cc1cc(C)cc(CCNC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001136869796 1137136878 /nfs/dbraw/zinc/13/68/78/1137136878.db2.gz XIBSQLIZJKTCEC-UHFFFAOYSA-N 1 2 345.446 3.836 20 0 EHADLO COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H](C)c2ccc(C(C)=O)cc2)c1 ZINC001171055673 1137137933 /nfs/dbraw/zinc/13/79/33/1137137933.db2.gz DDVFBTURIHLMRV-NSHDSACASA-N 1 2 337.379 3.725 20 0 EHADLO Cc1[nH]c(CN[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)[nH+]c1C ZINC000862378446 1137141621 /nfs/dbraw/zinc/14/16/21/1137141621.db2.gz CSGLBPOOCQLENA-VIFPVBQESA-N 1 2 332.757 3.945 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CC=CC[C@@H]3C)CC2)cs1 ZINC000805868378 1137142066 /nfs/dbraw/zinc/14/20/66/1137142066.db2.gz CECLFKKSNRLOGU-YOEHRIQHSA-N 1 2 348.512 3.809 20 0 EHADLO Cc1c(Cl)cnn1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118956058 1137145726 /nfs/dbraw/zinc/14/57/26/1137145726.db2.gz RIMAQIYOEUUCTA-UHFFFAOYSA-N 1 2 337.826 3.623 20 0 EHADLO C[N@H+](Cc1ccnc(Cl)c1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824691141 1137148551 /nfs/dbraw/zinc/14/85/51/1137148551.db2.gz VCSHMWXVIOKGKQ-ZDUSSCGKSA-N 1 2 329.202 3.693 20 0 EHADLO C[N@@H+](Cc1ccnc(Cl)c1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824691141 1137148553 /nfs/dbraw/zinc/14/85/53/1137148553.db2.gz VCSHMWXVIOKGKQ-ZDUSSCGKSA-N 1 2 329.202 3.693 20 0 EHADLO CCn1c[nH+]cc1CN(C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000862534723 1137148637 /nfs/dbraw/zinc/14/86/37/1137148637.db2.gz LBFSDTPKCLZZIQ-UHFFFAOYSA-N 1 2 330.432 3.886 20 0 EHADLO Cc1cc2c(CC(=O)NCCCNc3cccc[nH+]3)csc2s1 ZINC001136960155 1137157222 /nfs/dbraw/zinc/15/72/22/1137157222.db2.gz LEELLBZRBLWYGW-UHFFFAOYSA-N 1 2 345.493 3.827 20 0 EHADLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2cccnc21 ZINC000825147958 1137167368 /nfs/dbraw/zinc/16/73/68/1137167368.db2.gz OBMFLQWDHIOZTF-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2cccnc21 ZINC000825147958 1137167370 /nfs/dbraw/zinc/16/73/70/1137167370.db2.gz OBMFLQWDHIOZTF-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)[C@H](C)C1 ZINC001143824670 1137202053 /nfs/dbraw/zinc/20/20/53/1137202053.db2.gz MLCOIQXXCOYRRZ-ZJUUUORDSA-N 1 2 334.204 3.727 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cnc(OC)c(C)c1 ZINC001137009354 1137170562 /nfs/dbraw/zinc/17/05/62/1137170562.db2.gz CGBBCBKCHVDOIT-SFHVURJKSA-N 1 2 326.440 3.882 20 0 EHADLO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cnc(OC)c(C)c1 ZINC001137009354 1137170564 /nfs/dbraw/zinc/17/05/64/1137170564.db2.gz CGBBCBKCHVDOIT-SFHVURJKSA-N 1 2 326.440 3.882 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000863255098 1137178078 /nfs/dbraw/zinc/17/80/78/1137178078.db2.gz RHRFTTSZHMLGGB-IRXDYDNUSA-N 1 2 337.467 3.697 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)[C@@H](C)C1 ZINC001143824668 1137202038 /nfs/dbraw/zinc/20/20/38/1137202038.db2.gz MLCOIQXXCOYRRZ-UWVGGRQHSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)[C@@H](C)C1 ZINC001143824668 1137202040 /nfs/dbraw/zinc/20/20/40/1137202040.db2.gz MLCOIQXXCOYRRZ-UWVGGRQHSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)[C@H](C)C1 ZINC001143824670 1137202052 /nfs/dbraw/zinc/20/20/52/1137202052.db2.gz MLCOIQXXCOYRRZ-ZJUUUORDSA-N 1 2 334.204 3.727 20 0 EHADLO Cc1ccccc1CC(N)=[NH+]OCc1noc(C2CCCCC2)n1 ZINC000772897597 1137202385 /nfs/dbraw/zinc/20/23/85/1137202385.db2.gz JLBDCYJKXSHDFI-UHFFFAOYSA-N 1 2 328.416 3.667 20 0 EHADLO CN(c1ccc(Nc2c(N)ncnc2Cl)c[nH+]1)C1CCCCC1 ZINC001212613117 1137206696 /nfs/dbraw/zinc/20/66/96/1137206696.db2.gz DLYUWZKLZIFPCZ-UHFFFAOYSA-N 1 2 332.839 3.620 20 0 EHADLO OC[C@@H]1CCC[N@@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143880645 1137209427 /nfs/dbraw/zinc/20/94/27/1137209427.db2.gz YFARLHXDNSVXFP-QMMMGPOBSA-N 1 2 328.161 3.969 20 0 EHADLO OC[C@@H]1CCC[N@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143880645 1137209429 /nfs/dbraw/zinc/20/94/29/1137209429.db2.gz YFARLHXDNSVXFP-QMMMGPOBSA-N 1 2 328.161 3.969 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143948965 1137220015 /nfs/dbraw/zinc/22/00/15/1137220015.db2.gz GUEOXNOYZMPUFK-UHFFFAOYSA-N 1 2 331.790 3.783 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)o1 ZINC000844409853 1137220613 /nfs/dbraw/zinc/22/06/13/1137220613.db2.gz LZKLCOKHRVZNQW-ZFWWWQNUSA-N 1 2 344.459 3.759 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1c(F)ccc(OC)c1F)CCC2 ZINC001143982896 1137220954 /nfs/dbraw/zinc/22/09/54/1137220954.db2.gz CQFRLDNOSCIQBL-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1c(F)ccc(OC)c1F)CCC2 ZINC001143982896 1137220956 /nfs/dbraw/zinc/22/09/56/1137220956.db2.gz CQFRLDNOSCIQBL-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@@H](O)c1ccccc1 ZINC000794614796 1137221059 /nfs/dbraw/zinc/22/10/59/1137221059.db2.gz SUGURQZPMMPZPF-MOPGFXCFSA-N 1 2 343.471 3.965 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451982 1137221229 /nfs/dbraw/zinc/22/12/29/1137221229.db2.gz KVMGEXJAUPPUAH-FXAINCCUSA-N 1 2 325.746 3.648 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451982 1137221230 /nfs/dbraw/zinc/22/12/30/1137221230.db2.gz KVMGEXJAUPPUAH-FXAINCCUSA-N 1 2 325.746 3.648 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440482 1137223738 /nfs/dbraw/zinc/22/37/38/1137223738.db2.gz UAYVDVGSHLYAKA-GDBMZVCRSA-N 1 2 340.801 3.567 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1Cl ZINC000844440482 1137223739 /nfs/dbraw/zinc/22/37/39/1137223739.db2.gz UAYVDVGSHLYAKA-GDBMZVCRSA-N 1 2 340.801 3.567 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844443215 1137224166 /nfs/dbraw/zinc/22/41/66/1137224166.db2.gz IFSANCQIJUHGEX-OAHLLOKOSA-N 1 2 329.774 3.748 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844443215 1137224168 /nfs/dbraw/zinc/22/41/68/1137224168.db2.gz IFSANCQIJUHGEX-OAHLLOKOSA-N 1 2 329.774 3.748 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654549 1137224224 /nfs/dbraw/zinc/22/42/24/1137224224.db2.gz CZMPCUQOUBVQNE-QWRGUYRKSA-N 1 2 329.391 3.939 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654549 1137224226 /nfs/dbraw/zinc/22/42/26/1137224226.db2.gz CZMPCUQOUBVQNE-QWRGUYRKSA-N 1 2 329.391 3.939 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794681460 1137225802 /nfs/dbraw/zinc/22/58/02/1137225802.db2.gz DIQSNKIRDVEZPV-ZDUSSCGKSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794681460 1137225803 /nfs/dbraw/zinc/22/58/03/1137225803.db2.gz DIQSNKIRDVEZPV-ZDUSSCGKSA-N 1 2 325.526 3.529 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000794688044 1137227667 /nfs/dbraw/zinc/22/76/67/1137227667.db2.gz MZOVGSZCUVNTEM-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000794688044 1137227669 /nfs/dbraw/zinc/22/76/69/1137227669.db2.gz MZOVGSZCUVNTEM-UHFFFAOYSA-N 1 2 338.502 3.641 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)nc1 ZINC000844530104 1137231808 /nfs/dbraw/zinc/23/18/08/1137231808.db2.gz ADQPCQFSJMTQDH-WDEREUQCSA-N 1 2 327.306 3.552 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001144072635 1137234838 /nfs/dbraw/zinc/23/48/38/1137234838.db2.gz QREKCBRIYCIULU-UHFFFAOYSA-N 1 2 327.334 3.845 20 0 EHADLO COc1c[nH+]c(N[C@@H](CC(C)C)c2ccccn2)nc1NC(C)C ZINC001160481866 1137238670 /nfs/dbraw/zinc/23/86/70/1137238670.db2.gz ZHWYWIWDKFADMZ-HNNXBMFYSA-N 1 2 329.448 3.900 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)no1 ZINC001144135277 1137242777 /nfs/dbraw/zinc/24/27/77/1137242777.db2.gz VJLLLJFTKQCGNY-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000772910520 1137247246 /nfs/dbraw/zinc/24/72/46/1137247246.db2.gz FIIBFSRROPNGBC-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1(C)CC1 ZINC000844696961 1137248469 /nfs/dbraw/zinc/24/84/69/1137248469.db2.gz MJBAJDUFQQHOFF-NSHDSACASA-N 1 2 337.876 3.703 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1(C)CC1 ZINC000844696961 1137248471 /nfs/dbraw/zinc/24/84/71/1137248471.db2.gz MJBAJDUFQQHOFF-NSHDSACASA-N 1 2 337.876 3.703 20 0 EHADLO CCC[N@H+](CC(=O)OCC)Cc1cc(C)cc(Br)c1 ZINC001144221876 1137254889 /nfs/dbraw/zinc/25/48/89/1137254889.db2.gz JVDDJCAKFXZEMN-UHFFFAOYSA-N 1 2 328.250 3.533 20 0 EHADLO CCC[N@@H+](CC(=O)OCC)Cc1cc(C)cc(Br)c1 ZINC001144221876 1137254891 /nfs/dbraw/zinc/25/48/91/1137254891.db2.gz JVDDJCAKFXZEMN-UHFFFAOYSA-N 1 2 328.250 3.533 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CC(F)(F)C(F)(F)F)n1 ZINC000864976083 1137255949 /nfs/dbraw/zinc/25/59/49/1137255949.db2.gz FJPLROUFKNKWSI-UHFFFAOYSA-N 1 2 345.337 3.511 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865067121 1137261259 /nfs/dbraw/zinc/26/12/59/1137261259.db2.gz MRTYOBGJLUCBHK-UHFFFAOYSA-N 1 2 346.843 3.624 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000865158025 1137265788 /nfs/dbraw/zinc/26/57/88/1137265788.db2.gz FRONLZXWTSYULY-CQSZACIVSA-N 1 2 346.862 3.706 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375915 1137278496 /nfs/dbraw/zinc/27/84/96/1137278496.db2.gz QPXQQTRBSQHWQT-GFCCVEGCSA-N 1 2 335.398 3.678 20 0 EHADLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)sc1C ZINC001144375289 1137280233 /nfs/dbraw/zinc/28/02/33/1137280233.db2.gz OLTPJOLLMRPWRB-GXTWGEPZSA-N 1 2 339.505 3.638 20 0 EHADLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)sc1C ZINC001144375289 1137280235 /nfs/dbraw/zinc/28/02/35/1137280235.db2.gz OLTPJOLLMRPWRB-GXTWGEPZSA-N 1 2 339.505 3.638 20 0 EHADLO CCOc1cccc(C[N@H+](CCO)Cc2cccc(F)c2Cl)c1 ZINC001171170089 1137280551 /nfs/dbraw/zinc/28/05/51/1137280551.db2.gz LYRXCKKFJKIUKN-UHFFFAOYSA-N 1 2 337.822 3.872 20 0 EHADLO CCOc1cccc(C[N@@H+](CCO)Cc2cccc(F)c2Cl)c1 ZINC001171170089 1137280553 /nfs/dbraw/zinc/28/05/53/1137280553.db2.gz LYRXCKKFJKIUKN-UHFFFAOYSA-N 1 2 337.822 3.872 20 0 EHADLO Oc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c(C(F)(F)F)c1 ZINC001144391386 1137280911 /nfs/dbraw/zinc/28/09/11/1137280911.db2.gz JJNMOFUONCRGAJ-UHFFFAOYSA-N 1 2 339.329 3.738 20 0 EHADLO Cc1ccc(-c2cc(COC(=O)C[C@@H](C)n3cc[nH+]c3)on2)cc1 ZINC000845281882 1137283147 /nfs/dbraw/zinc/28/31/47/1137283147.db2.gz SHGVIDIFRFWQLE-CQSZACIVSA-N 1 2 325.368 3.541 20 0 EHADLO C[C@@H](CC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1)n1cc[nH+]c1 ZINC000845281062 1137283351 /nfs/dbraw/zinc/28/33/51/1137283351.db2.gz YXDAAVANKMKUJS-AWEZNQCLSA-N 1 2 328.412 3.558 20 0 EHADLO CCOc1cc(F)cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000865472533 1137286989 /nfs/dbraw/zinc/28/69/89/1137286989.db2.gz CXRZZPINYGUATL-UHFFFAOYSA-N 1 2 334.338 3.990 20 0 EHADLO CCc1noc(CC)c1C[NH2+]Cc1nccc(C)c1Br ZINC000865488608 1137287978 /nfs/dbraw/zinc/28/79/78/1137287978.db2.gz PPBWQHQJXAMFFO-UHFFFAOYSA-N 1 2 338.249 3.555 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1)c1ccccc1 ZINC001144425646 1137290020 /nfs/dbraw/zinc/29/00/20/1137290020.db2.gz WJVKQGWRSVHFSE-DOTOQJQBSA-N 1 2 336.426 3.512 20 0 EHADLO CNC(=O)c1cccc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)c1 ZINC001212614071 1137291318 /nfs/dbraw/zinc/29/13/18/1137291318.db2.gz FHVAMEXZKSNMFI-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(Br)cc1F ZINC000865568042 1137295993 /nfs/dbraw/zinc/29/59/93/1137295993.db2.gz XRDOVNAWUIKAFE-JTQLQIEISA-N 1 2 338.224 3.970 20 0 EHADLO CCCCOC(=O)c1c(F)cccc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845553346 1137299159 /nfs/dbraw/zinc/29/91/59/1137299159.db2.gz STQAOZBKRYJHDC-CYBMUJFWSA-N 1 2 348.374 3.536 20 0 EHADLO Cc1c(Cl)nc(-c2ccccn2)nc1NCCCCn1cc[nH+]c1 ZINC000865656663 1137302409 /nfs/dbraw/zinc/30/24/09/1137302409.db2.gz ARPJUPZCKOMRRQ-UHFFFAOYSA-N 1 2 342.834 3.589 20 0 EHADLO Cc1nc(NCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc[nH+]1 ZINC000845713202 1137306212 /nfs/dbraw/zinc/30/62/12/1137306212.db2.gz LJXRPCZGRHFPHK-UHFFFAOYSA-N 1 2 342.443 3.764 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccncc1Cl ZINC000865729883 1137307175 /nfs/dbraw/zinc/30/71/75/1137307175.db2.gz MGQHEAOYHZDAPO-UHFFFAOYSA-N 1 2 332.831 3.980 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555158 1137308983 /nfs/dbraw/zinc/30/89/83/1137308983.db2.gz XPDIVRFZTMPLAH-CQSZACIVSA-N 1 2 349.377 3.722 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555158 1137308985 /nfs/dbraw/zinc/30/89/85/1137308985.db2.gz XPDIVRFZTMPLAH-CQSZACIVSA-N 1 2 349.377 3.722 20 0 EHADLO Cc1nc2cccc(Cl)c2cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000865804665 1137313003 /nfs/dbraw/zinc/31/30/03/1137313003.db2.gz DRHREMPLCYBFJV-UHFFFAOYSA-N 1 2 342.830 3.603 20 0 EHADLO CCCc1nc(C)c(CNc2cc(NCc3ccccc3)[nH+]cn2)o1 ZINC000865827420 1137314572 /nfs/dbraw/zinc/31/45/72/1137314572.db2.gz KTIIGIACQFYBFD-UHFFFAOYSA-N 1 2 337.427 3.950 20 0 EHADLO CCCc1nc(C)c(CNc2cc(NCc3ccccc3)nc[nH+]2)o1 ZINC000865827420 1137314573 /nfs/dbraw/zinc/31/45/73/1137314573.db2.gz KTIIGIACQFYBFD-UHFFFAOYSA-N 1 2 337.427 3.950 20 0 EHADLO O=c1[nH]c2c(cc1C[NH2+]Cc1c(Cl)cncc1Cl)CCCC2 ZINC000865877441 1137318546 /nfs/dbraw/zinc/31/85/46/1137318546.db2.gz VYLKXJMIIRSCDJ-UHFFFAOYSA-N 1 2 338.238 3.658 20 0 EHADLO Oc1cc(F)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1F ZINC001144646780 1137322498 /nfs/dbraw/zinc/32/24/98/1137322498.db2.gz KFDUIZDGRMXSIH-QPJJXVBHSA-N 1 2 344.405 3.501 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001144653066 1137323097 /nfs/dbraw/zinc/32/30/97/1137323097.db2.gz IEIGVHAOEKDFRJ-ULQDDVLXSA-N 1 2 342.474 3.781 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001144653065 1137323106 /nfs/dbraw/zinc/32/31/06/1137323106.db2.gz IEIGVHAOEKDFRJ-BRWVUGGUSA-N 1 2 342.474 3.781 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1F ZINC001144666473 1137324682 /nfs/dbraw/zinc/32/46/82/1137324682.db2.gz JUCCFQLWUIUCGN-UHFFFAOYSA-N 1 2 337.341 3.853 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000794893262 1137325604 /nfs/dbraw/zinc/32/56/04/1137325604.db2.gz VZCYOVYKPOXGEI-SFHVURJKSA-N 1 2 346.475 3.818 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(=S)n1C1CC1 ZINC000794893262 1137325606 /nfs/dbraw/zinc/32/56/06/1137325606.db2.gz VZCYOVYKPOXGEI-SFHVURJKSA-N 1 2 346.475 3.818 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000846019990 1137326580 /nfs/dbraw/zinc/32/65/80/1137326580.db2.gz ZEYYGRIERYQLAO-DZGCQCFKSA-N 1 2 331.847 3.583 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001144685647 1137329894 /nfs/dbraw/zinc/32/98/94/1137329894.db2.gz WHTWBCKKMKGLPC-RISCZKNCSA-N 1 2 330.653 3.713 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001144685647 1137329896 /nfs/dbraw/zinc/32/98/96/1137329896.db2.gz WHTWBCKKMKGLPC-RISCZKNCSA-N 1 2 330.653 3.713 20 0 EHADLO COCc1cc[nH+]c(NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000846118247 1137334250 /nfs/dbraw/zinc/33/42/50/1137334250.db2.gz WBCYZQQZNQLZHB-HUUCEWRRSA-N 1 2 349.475 3.676 20 0 EHADLO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2O)c1 ZINC001144717828 1137334759 /nfs/dbraw/zinc/33/47/59/1137334759.db2.gz KTQYXGBGPMGYGB-UHFFFAOYSA-N 1 2 346.858 3.816 20 0 EHADLO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2O)c1 ZINC001144717828 1137334761 /nfs/dbraw/zinc/33/47/61/1137334761.db2.gz KTQYXGBGPMGYGB-UHFFFAOYSA-N 1 2 346.858 3.816 20 0 EHADLO CC[N@H+](CC(=O)NCC1CCC(F)CC1)Cc1ccccc1Cl ZINC001144708902 1137335213 /nfs/dbraw/zinc/33/52/13/1137335213.db2.gz KNQNVJLELACNRG-UHFFFAOYSA-N 1 2 340.870 3.806 20 0 EHADLO CC[N@@H+](CC(=O)NCC1CCC(F)CC1)Cc1ccccc1Cl ZINC001144708902 1137335215 /nfs/dbraw/zinc/33/52/15/1137335215.db2.gz KNQNVJLELACNRG-UHFFFAOYSA-N 1 2 340.870 3.806 20 0 EHADLO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000866250077 1137339168 /nfs/dbraw/zinc/33/91/68/1137339168.db2.gz TYWCURGQZGRPDS-IBGZPJMESA-N 1 2 349.434 3.884 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144731965 1137339551 /nfs/dbraw/zinc/33/95/51/1137339551.db2.gz HUPFSWPCUYLVRZ-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144731965 1137339553 /nfs/dbraw/zinc/33/95/53/1137339553.db2.gz HUPFSWPCUYLVRZ-CYBMUJFWSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1n[nH]cc1Br ZINC000866270328 1137341250 /nfs/dbraw/zinc/34/12/50/1137341250.db2.gz VBSLCHPKUYODGS-RFAUZJTJSA-N 1 2 338.224 3.725 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H]2c3ccccc3OC[C@@H]2F)C2CC2)cn1 ZINC000866398978 1137351989 /nfs/dbraw/zinc/35/19/89/1137351989.db2.gz NZDNIJZOKBRJMF-IPELMVKDSA-N 1 2 328.387 3.603 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001144833268 1137352589 /nfs/dbraw/zinc/35/25/89/1137352589.db2.gz NPSZWHNAMRHJAX-OXJNMPFZSA-N 1 2 349.434 3.525 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001144833268 1137352590 /nfs/dbraw/zinc/35/25/90/1137352590.db2.gz NPSZWHNAMRHJAX-OXJNMPFZSA-N 1 2 349.434 3.525 20 0 EHADLO O[C@@H](c1ccccc1)C1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846767943 1137364317 /nfs/dbraw/zinc/36/43/17/1137364317.db2.gz RZRXKGOISBUMPI-KRWDZBQOSA-N 1 2 334.822 3.820 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1Br ZINC000866563841 1137364933 /nfs/dbraw/zinc/36/49/33/1137364933.db2.gz PUISLYTZWFCBFT-VIFPVBQESA-N 1 2 344.203 3.971 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@H](C)CSC(C)(C)C)cc2)CC1 ZINC000866625615 1137371219 /nfs/dbraw/zinc/37/12/19/1137371219.db2.gz MBXNLTSPCSBBSO-OAHLLOKOSA-N 1 2 349.544 3.687 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866745620 1137376028 /nfs/dbraw/zinc/37/60/28/1137376028.db2.gz ZAAOIKURRNGIAN-HXUWFJFHSA-N 1 2 327.472 3.637 20 0 EHADLO CC(=O)C1CC[NH+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000846952647 1137378610 /nfs/dbraw/zinc/37/86/10/1137378610.db2.gz FZRRBPUCSSCBNQ-UHFFFAOYSA-N 1 2 329.469 3.996 20 0 EHADLO COc1ccc(-c2nc(C[NH+]3CCC(C(C)=O)CC3)cs2)cc1 ZINC000846952928 1137378849 /nfs/dbraw/zinc/37/88/49/1137378849.db2.gz JZBTYGKLPPVQIR-UHFFFAOYSA-N 1 2 330.453 3.620 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000846979571 1137381833 /nfs/dbraw/zinc/38/18/33/1137381833.db2.gz PKDCMNCKCXVJCQ-ZQHYZAEZSA-N 1 2 330.453 3.650 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nc(C(C)(C)C)cs1 ZINC000867802028 1137386807 /nfs/dbraw/zinc/38/68/07/1137386807.db2.gz HASCWCSIOLBSOE-UHFFFAOYSA-N 1 2 348.516 3.752 20 0 EHADLO CCOC1CC2(C[C@H]2C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000867942633 1137390700 /nfs/dbraw/zinc/39/07/00/1137390700.db2.gz DWKJBWBSQMXDIE-HVEKOLDVSA-N 1 2 325.412 3.529 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CC(C)(C)C(F)(F)F)n1 ZINC000795011718 1137406746 /nfs/dbraw/zinc/40/67/46/1137406746.db2.gz GDYSXXXRAGKPKO-UHFFFAOYSA-N 1 2 337.411 3.902 20 0 EHADLO O=C(c1cccc(-c2ccccc2)c1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001148865908 1137436775 /nfs/dbraw/zinc/43/67/75/1137436775.db2.gz BBRBZGFHRCUIBG-UHFFFAOYSA-N 1 2 347.418 3.733 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000869104216 1137436895 /nfs/dbraw/zinc/43/68/95/1137436895.db2.gz CTJCMBNSVYZKRJ-ROUUACIJSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000869104216 1137436896 /nfs/dbraw/zinc/43/68/96/1137436896.db2.gz CTJCMBNSVYZKRJ-ROUUACIJSA-N 1 2 341.480 3.781 20 0 EHADLO O=C(c1cccc(-c2ccccc2)c1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001148866534 1137436879 /nfs/dbraw/zinc/43/68/79/1137436879.db2.gz LAWLCAPIZDPLSP-MRXNPFEDSA-N 1 2 347.418 3.802 20 0 EHADLO COCCCn1nccc1C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000282710862 1137440200 /nfs/dbraw/zinc/44/02/00/1137440200.db2.gz BDHVLFSGSIBHQM-BEFAXECRSA-N 1 2 343.471 3.801 20 0 EHADLO COCCCn1nccc1C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000282710862 1137440201 /nfs/dbraw/zinc/44/02/01/1137440201.db2.gz BDHVLFSGSIBHQM-BEFAXECRSA-N 1 2 343.471 3.801 20 0 EHADLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000348136731 1137445339 /nfs/dbraw/zinc/44/53/39/1137445339.db2.gz BJSBNILVDVEHGQ-ZDUSSCGKSA-N 1 2 347.459 3.564 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)ccc2[nH+]1 ZINC000348179648 1137451066 /nfs/dbraw/zinc/45/10/66/1137451066.db2.gz GLEIJCZLFUAFOT-UHFFFAOYSA-N 1 2 348.328 3.724 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1NCc1cccc2sccc21 ZINC001171377891 1137462982 /nfs/dbraw/zinc/46/29/82/1137462982.db2.gz QUPHBKDRJRKTEU-UHFFFAOYSA-N 1 2 328.393 3.704 20 0 EHADLO C[N@@H+]1CCc2ncnc(NC3(c4cccc(F)c4)CCCCC3)c2C1 ZINC001171406739 1137473062 /nfs/dbraw/zinc/47/30/62/1137473062.db2.gz QASWAGJJUIOAOH-UHFFFAOYSA-N 1 2 340.446 3.875 20 0 EHADLO C[N@H+]1CCc2ncnc(NC3(c4cccc(F)c4)CCCCC3)c2C1 ZINC001171406739 1137473063 /nfs/dbraw/zinc/47/30/63/1137473063.db2.gz QASWAGJJUIOAOH-UHFFFAOYSA-N 1 2 340.446 3.875 20 0 EHADLO Brc1cnc(C[NH2+]Cc2cnc3ccccc3c2)s1 ZINC000714947274 1137474305 /nfs/dbraw/zinc/47/43/05/1137474305.db2.gz TWRZBOFYJOFKBV-UHFFFAOYSA-N 1 2 334.242 3.744 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCc3ccccc3C2(C)C)s1 ZINC001171416631 1137476699 /nfs/dbraw/zinc/47/66/99/1137476699.db2.gz DHBJCGGBPTVKJY-UHFFFAOYSA-N 1 2 330.453 3.613 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCc3ccccc3C2(C)C)s1 ZINC001171416631 1137476701 /nfs/dbraw/zinc/47/67/01/1137476701.db2.gz DHBJCGGBPTVKJY-UHFFFAOYSA-N 1 2 330.453 3.613 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NCc3ccccc3-n3cnnn3)c2)cc1 ZINC001171419183 1137477430 /nfs/dbraw/zinc/47/74/30/1137477430.db2.gz YKRRVYPUNKJWEO-UHFFFAOYSA-N 1 2 342.406 3.645 20 0 EHADLO CN(C)c1ccc(NCCc2ccc(OCc3ccccn3)cc2)[nH+]c1 ZINC001171425710 1137479951 /nfs/dbraw/zinc/47/99/51/1137479951.db2.gz JILYIVHHZWCAPU-UHFFFAOYSA-N 1 2 348.450 3.776 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773316479 1137489235 /nfs/dbraw/zinc/48/92/35/1137489235.db2.gz MZNYBVFLHXDWKZ-UHFFFAOYSA-N 1 2 326.327 3.569 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)Cn1c(=O)oc2ccc(F)cc21 ZINC000773316479 1137489236 /nfs/dbraw/zinc/48/92/36/1137489236.db2.gz MZNYBVFLHXDWKZ-UHFFFAOYSA-N 1 2 326.327 3.569 20 0 EHADLO CCOC(C)(C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000870349429 1137489572 /nfs/dbraw/zinc/48/95/72/1137489572.db2.gz NSCCAUMDUKVCSE-UHFFFAOYSA-N 1 2 328.412 3.607 20 0 EHADLO O=C1C[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567525 1137498715 /nfs/dbraw/zinc/49/87/15/1137498715.db2.gz LRZKYDUWORPPNO-QUCCMNQESA-N 1 2 336.435 3.751 20 0 EHADLO O=C1C[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567525 1137498716 /nfs/dbraw/zinc/49/87/16/1137498716.db2.gz LRZKYDUWORPPNO-QUCCMNQESA-N 1 2 336.435 3.751 20 0 EHADLO C[N@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171617537 1137500887 /nfs/dbraw/zinc/50/08/87/1137500887.db2.gz NAXFWEGFEWPKJX-CHWSQXEVSA-N 1 2 334.451 3.998 20 0 EHADLO C[N@@H+](CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171617537 1137500889 /nfs/dbraw/zinc/50/08/89/1137500889.db2.gz NAXFWEGFEWPKJX-CHWSQXEVSA-N 1 2 334.451 3.998 20 0 EHADLO CCC(CC)c1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000173635925 1137502773 /nfs/dbraw/zinc/50/27/73/1137502773.db2.gz KQTWLXUXEDXLBW-UHFFFAOYSA-N 1 2 338.411 3.694 20 0 EHADLO CC(=O)Nc1cc(Nc2c(F)cc(F)c(OC(C)C)c2F)cc[nH+]1 ZINC001212644271 1137539944 /nfs/dbraw/zinc/53/99/44/1137539944.db2.gz RHXJGDYMYNJRMU-UHFFFAOYSA-N 1 2 339.317 3.988 20 0 EHADLO CCCCCC[C@@H](CCC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001172378242 1137549995 /nfs/dbraw/zinc/54/99/95/1137549995.db2.gz IYKYCZUUNKEUMR-SJORKVTESA-N 1 2 343.508 3.990 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001172343861 1137552726 /nfs/dbraw/zinc/55/27/26/1137552726.db2.gz VUOFXKPERDOBRC-MNOVXSKESA-N 1 2 347.322 3.857 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001172343861 1137552728 /nfs/dbraw/zinc/55/27/28/1137552728.db2.gz VUOFXKPERDOBRC-MNOVXSKESA-N 1 2 347.322 3.857 20 0 EHADLO FC(F)(F)c1coc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000871819187 1137558988 /nfs/dbraw/zinc/55/89/88/1137558988.db2.gz KYQIOXGCQDHXOM-UHFFFAOYSA-N 1 2 340.345 3.743 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000123840988 1137562477 /nfs/dbraw/zinc/56/24/77/1137562477.db2.gz PMOFGZBYZDNCAO-CVEARBPZSA-N 1 2 346.475 3.540 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(O)c1F)O[C@H](C)C2 ZINC000872020079 1137565092 /nfs/dbraw/zinc/56/50/92/1137565092.db2.gz CTHIDPNFZLTKLE-NEPJUHHUSA-N 1 2 331.387 3.714 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872057411 1137568553 /nfs/dbraw/zinc/56/85/53/1137568553.db2.gz YEIDNWJWARWWEX-APWZRJJASA-N 1 2 332.488 3.837 20 0 EHADLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cccc(O)c1F ZINC000872082818 1137570351 /nfs/dbraw/zinc/57/03/51/1137570351.db2.gz BMEUCMGAXNJPBP-RHSMWYFYSA-N 1 2 339.414 3.899 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]CCC[C@H]2CCOC2=O)C(F)F)c1 ZINC000872112280 1137571937 /nfs/dbraw/zinc/57/19/37/1137571937.db2.gz ISFCCVHQSXCEMD-BBRMVZONSA-N 1 2 341.398 3.713 20 0 EHADLO Cc1cc(CNC(=O)NCc2ccc(C(F)(F)F)s2)cc(C)[nH+]1 ZINC000873045518 1137588853 /nfs/dbraw/zinc/58/88/53/1137588853.db2.gz GCPDWNNKQPGOPU-UHFFFAOYSA-N 1 2 343.374 3.778 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000873187407 1137593255 /nfs/dbraw/zinc/59/32/55/1137593255.db2.gz RGBBWASSIGZKLN-LLVKDONJSA-N 1 2 349.360 3.541 20 0 EHADLO Cc1ccc2c(c1)CCCN2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000873900324 1137607992 /nfs/dbraw/zinc/60/79/92/1137607992.db2.gz XFCGWMPHWXBPIL-HNNXBMFYSA-N 1 2 337.345 3.664 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000874604382 1137618896 /nfs/dbraw/zinc/61/88/96/1137618896.db2.gz IRSOIEDSZINNES-INIZCTEOSA-N 1 2 331.847 3.721 20 0 EHADLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1csc(C(C)(C)C)n1 ZINC000125159227 1137622600 /nfs/dbraw/zinc/62/26/00/1137622600.db2.gz JOYYKWGFOQKMOW-UHFFFAOYSA-N 1 2 341.521 3.787 20 0 EHADLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1csc(C(C)(C)C)n1 ZINC000125159227 1137622601 /nfs/dbraw/zinc/62/26/01/1137622601.db2.gz JOYYKWGFOQKMOW-UHFFFAOYSA-N 1 2 341.521 3.787 20 0 EHADLO CCOc1ccc(N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000125229931 1137627046 /nfs/dbraw/zinc/62/70/46/1137627046.db2.gz CSSYVBYSCAGFHC-UHFFFAOYSA-N 1 2 335.407 3.607 20 0 EHADLO c1ccc(C[N@H+](Cc2cccnc2)Cc2ccc3nccnc3c2)nc1 ZINC001137087903 1137632135 /nfs/dbraw/zinc/63/21/35/1137632135.db2.gz JWECHYWANNYMBT-UHFFFAOYSA-N 1 2 341.418 3.622 20 0 EHADLO c1ccc(C[N@@H+](Cc2cccnc2)Cc2ccc3nccnc3c2)nc1 ZINC001137087903 1137632136 /nfs/dbraw/zinc/63/21/36/1137632136.db2.gz JWECHYWANNYMBT-UHFFFAOYSA-N 1 2 341.418 3.622 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000875903552 1137640347 /nfs/dbraw/zinc/64/03/47/1137640347.db2.gz JBQYFMQMPQWPFX-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO Cc1ccnc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1Br ZINC000876619547 1137657164 /nfs/dbraw/zinc/65/71/64/1137657164.db2.gz ZPKZGSBYNYHWHQ-AWEZNQCLSA-N 1 2 349.272 3.536 20 0 EHADLO Cc1ccnc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1Br ZINC000876619547 1137657165 /nfs/dbraw/zinc/65/71/65/1137657165.db2.gz ZPKZGSBYNYHWHQ-AWEZNQCLSA-N 1 2 349.272 3.536 20 0 EHADLO Cc1nccc([C@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC000876626874 1137657645 /nfs/dbraw/zinc/65/76/45/1137657645.db2.gz KZTQVWGMBSMAMN-LBPRGKRZSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC000876626874 1137657646 /nfs/dbraw/zinc/65/76/46/1137657646.db2.gz KZTQVWGMBSMAMN-LBPRGKRZSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2Br)n1 ZINC000876739152 1137659998 /nfs/dbraw/zinc/65/99/98/1137659998.db2.gz GAYOQSGUAINDQK-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2Br)n1 ZINC000876739152 1137659999 /nfs/dbraw/zinc/65/99/99/1137659999.db2.gz GAYOQSGUAINDQK-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000876820442 1137662697 /nfs/dbraw/zinc/66/26/97/1137662697.db2.gz WONJPBPHIRKJJO-CMJOXMDJSA-N 1 2 340.404 3.658 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877173538 1137672308 /nfs/dbraw/zinc/67/23/08/1137672308.db2.gz FQUOUVCJJLOLEO-LLVKDONJSA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877173538 1137672309 /nfs/dbraw/zinc/67/23/09/1137672309.db2.gz FQUOUVCJJLOLEO-LLVKDONJSA-N 1 2 345.270 3.800 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877487509 1137677964 /nfs/dbraw/zinc/67/79/64/1137677964.db2.gz XAIBYDKKJJFLEA-GHMZBOCLSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877487509 1137677965 /nfs/dbraw/zinc/67/79/65/1137677965.db2.gz XAIBYDKKJJFLEA-GHMZBOCLSA-N 1 2 347.684 3.623 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000877507857 1137679064 /nfs/dbraw/zinc/67/90/64/1137679064.db2.gz NRGREASSXBAPMT-UHFFFAOYSA-N 1 2 346.431 3.750 20 0 EHADLO Fc1cc(F)c(F)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001137876399 1137683416 /nfs/dbraw/zinc/68/34/16/1137683416.db2.gz MDJVXDVKVGUCBE-OAHLLOKOSA-N 1 2 348.359 3.799 20 0 EHADLO COc1c(C)cnc(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1C ZINC000877643079 1137684014 /nfs/dbraw/zinc/68/40/14/1137684014.db2.gz CNYQVGQIDRICET-KRWDZBQOSA-N 1 2 348.450 3.670 20 0 EHADLO CCc1ncc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)cn1 ZINC000877668719 1137685015 /nfs/dbraw/zinc/68/50/15/1137685015.db2.gz MLFIKFYDDUIEKQ-UHFFFAOYSA-N 1 2 330.819 3.859 20 0 EHADLO CCn1ncnc1C[NH2+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000877764155 1137688872 /nfs/dbraw/zinc/68/88/72/1137688872.db2.gz VJNPKWPXGGKJBE-SFHVURJKSA-N 1 2 338.459 3.586 20 0 EHADLO Cc1nc(C2([NH2+]C[C@@H]3CC[C@@H](c4ccccc4)O3)CCCC2)no1 ZINC000878146979 1137704365 /nfs/dbraw/zinc/70/43/65/1137704365.db2.gz WDBCGHCLBBIVGR-IRXDYDNUSA-N 1 2 327.428 3.657 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC2(c3ccccc3C)CC2)c1C ZINC000826030865 1137706873 /nfs/dbraw/zinc/70/68/73/1137706873.db2.gz UCKFMTWHNOJZPU-UHFFFAOYSA-N 1 2 339.439 3.504 20 0 EHADLO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878376873 1137713459 /nfs/dbraw/zinc/71/34/59/1137713459.db2.gz DKDYGBDIUJQYOH-UHFFFAOYSA-N 1 2 349.272 3.617 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878376873 1137713460 /nfs/dbraw/zinc/71/34/60/1137713460.db2.gz DKDYGBDIUJQYOH-UHFFFAOYSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878509607 1137718373 /nfs/dbraw/zinc/71/83/73/1137718373.db2.gz RXKAJMMDWPJDAG-BJOHPYRUSA-N 1 2 342.226 3.701 20 0 EHADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000878546389 1137719741 /nfs/dbraw/zinc/71/97/41/1137719741.db2.gz USKFJQWCEBHPDU-CYBMUJFWSA-N 1 2 344.484 3.829 20 0 EHADLO OC[C@@]1(c2ccccc2)CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000826052043 1137721403 /nfs/dbraw/zinc/72/14/03/1137721403.db2.gz LFERHXIJVXULSO-OAQYLSRUSA-N 1 2 336.410 3.904 20 0 EHADLO O[C@H](C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601159 1137721725 /nfs/dbraw/zinc/72/17/25/1137721725.db2.gz HJPROTCTTSFEGY-HZPDHXFCSA-N 1 2 340.254 3.977 20 0 EHADLO O[C@H](C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000878601159 1137721726 /nfs/dbraw/zinc/72/17/26/1137721726.db2.gz HJPROTCTTSFEGY-HZPDHXFCSA-N 1 2 340.254 3.977 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)nc1 ZINC000878669098 1137724568 /nfs/dbraw/zinc/72/45/68/1137724568.db2.gz RHYUBXXGULQAHN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2Cl)nc1 ZINC000878669098 1137724569 /nfs/dbraw/zinc/72/45/69/1137724569.db2.gz RHYUBXXGULQAHN-CQSZACIVSA-N 1 2 331.847 3.811 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1nccn1CC(F)F ZINC000878727286 1137726448 /nfs/dbraw/zinc/72/64/48/1137726448.db2.gz RTXFPTWXGCUNJS-UHFFFAOYSA-N 1 2 343.805 3.835 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000127428630 1137732957 /nfs/dbraw/zinc/73/29/57/1137732957.db2.gz SQRJSZQRDDMSGT-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000127428630 1137732958 /nfs/dbraw/zinc/73/29/58/1137732958.db2.gz SQRJSZQRDDMSGT-UHFFFAOYSA-N 1 2 334.464 3.837 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)nc1 ZINC000879159183 1137739843 /nfs/dbraw/zinc/73/98/43/1137739843.db2.gz QCGSKHFYUDTXGM-UHFFFAOYSA-N 1 2 331.803 3.910 20 0 EHADLO COc1ccc(C[N@H+](C/C(Cl)=C\Cl)[C@@H](C)CCCO)cc1 ZINC000879287533 1137743490 /nfs/dbraw/zinc/74/34/90/1137743490.db2.gz KEVMZYWQRNAUAA-LERPTODRSA-N 1 2 332.271 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C/C(Cl)=C\Cl)[C@@H](C)CCCO)cc1 ZINC000879287533 1137743491 /nfs/dbraw/zinc/74/34/91/1137743491.db2.gz KEVMZYWQRNAUAA-LERPTODRSA-N 1 2 332.271 3.977 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001137143828 1137744027 /nfs/dbraw/zinc/74/40/27/1137744027.db2.gz DLANHRFMHPATDZ-MSOLQXFVSA-N 1 2 326.525 3.549 20 0 EHADLO CCC(CC)N(CC(C)C)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001137143828 1137744028 /nfs/dbraw/zinc/74/40/28/1137744028.db2.gz DLANHRFMHPATDZ-MSOLQXFVSA-N 1 2 326.525 3.549 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000879605301 1137752156 /nfs/dbraw/zinc/75/21/56/1137752156.db2.gz IVZIPCHCLZGNPR-IEBWSBKVSA-N 1 2 339.439 3.737 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)NOC3CCCCC3)ccc21 ZINC000879716256 1137756490 /nfs/dbraw/zinc/75/64/90/1137756490.db2.gz HDNXUWXNXOYKBX-UHFFFAOYSA-N 1 2 328.416 3.687 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000879728816 1137756799 /nfs/dbraw/zinc/75/67/99/1137756799.db2.gz XJUBMFLKRSDGBA-AWEZNQCLSA-N 1 2 327.428 3.725 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000879728816 1137756800 /nfs/dbraw/zinc/75/68/00/1137756800.db2.gz XJUBMFLKRSDGBA-AWEZNQCLSA-N 1 2 327.428 3.725 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ncccc2Br)c1 ZINC000879752417 1137758115 /nfs/dbraw/zinc/75/81/15/1137758115.db2.gz QAMRPZLHRDBRGK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ncccc2Br)c1 ZINC000879752417 1137758116 /nfs/dbraw/zinc/75/81/16/1137758116.db2.gz QAMRPZLHRDBRGK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001573 1137764283 /nfs/dbraw/zinc/76/42/83/1137764283.db2.gz QYDBWPQROBXFMI-MEBBXXQBSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001573 1137764284 /nfs/dbraw/zinc/76/42/84/1137764284.db2.gz QYDBWPQROBXFMI-MEBBXXQBSA-N 1 2 325.334 3.671 20 0 EHADLO Fc1ccc(-c2cc(C[N@@H+]3CCO[C@H](C(F)(F)F)CC3)on2)cc1 ZINC000880045237 1137766354 /nfs/dbraw/zinc/76/63/54/1137766354.db2.gz FCPDULWDRZNPCI-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO Fc1ccc(-c2cc(C[N@H+]3CCO[C@H](C(F)(F)F)CC3)on2)cc1 ZINC000880045237 1137766355 /nfs/dbraw/zinc/76/63/55/1137766355.db2.gz FCPDULWDRZNPCI-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(F)CC1 ZINC000880240854 1137771865 /nfs/dbraw/zinc/77/18/65/1137771865.db2.gz ODIRZVCAPQLOKL-CYBMUJFWSA-N 1 2 339.480 3.631 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276416 1137772909 /nfs/dbraw/zinc/77/29/09/1137772909.db2.gz HKOCTDYZNJIWOO-CZUORRHYSA-N 1 2 337.427 3.709 20 0 EHADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)no1 ZINC000880276416 1137772910 /nfs/dbraw/zinc/77/29/10/1137772910.db2.gz HKOCTDYZNJIWOO-CZUORRHYSA-N 1 2 337.427 3.709 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880301505 1137773950 /nfs/dbraw/zinc/77/39/50/1137773950.db2.gz SFYKAYCWJPWDER-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000880301505 1137773951 /nfs/dbraw/zinc/77/39/51/1137773951.db2.gz SFYKAYCWJPWDER-OAHLLOKOSA-N 1 2 344.308 3.634 20 0 EHADLO Cn1ccnc1C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880350628 1137775866 /nfs/dbraw/zinc/77/58/66/1137775866.db2.gz DUNBNNRYKHNZQD-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](CO)c1ccccc1 ZINC000880461403 1137779303 /nfs/dbraw/zinc/77/93/03/1137779303.db2.gz HAEUVBPPBBOYIX-KRWDZBQOSA-N 1 2 339.464 3.761 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](CO)c1ccccc1 ZINC000880461403 1137779304 /nfs/dbraw/zinc/77/93/04/1137779304.db2.gz HAEUVBPPBBOYIX-KRWDZBQOSA-N 1 2 339.464 3.761 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000626133064 1137782599 /nfs/dbraw/zinc/78/25/99/1137782599.db2.gz GRSSAGVITHCJMW-QAPCUYQASA-N 1 2 342.487 3.558 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000626133064 1137782600 /nfs/dbraw/zinc/78/26/00/1137782600.db2.gz GRSSAGVITHCJMW-QAPCUYQASA-N 1 2 342.487 3.558 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(F)c(C(F)F)c1 ZINC000880684709 1137784370 /nfs/dbraw/zinc/78/43/70/1137784370.db2.gz GCVSUDIHUVPPAI-UHFFFAOYSA-N 1 2 326.322 3.562 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000880685632 1137784432 /nfs/dbraw/zinc/78/44/32/1137784432.db2.gz IFBXBZRQCKHAAS-UHFFFAOYSA-N 1 2 338.333 3.829 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000880744515 1137787801 /nfs/dbraw/zinc/78/78/01/1137787801.db2.gz PCXOHUZFTZTIFW-HNNXBMFYSA-N 1 2 328.391 3.769 20 0 EHADLO CCCC[NH+](CCCC)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000129016830 1137807581 /nfs/dbraw/zinc/80/75/81/1137807581.db2.gz QIUMQPANOWQSFZ-UHFFFAOYSA-N 1 2 331.435 3.909 20 0 EHADLO CC(C)(CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)F ZINC000881536627 1137809425 /nfs/dbraw/zinc/80/94/25/1137809425.db2.gz HISNBJAUMSUDOY-AWEZNQCLSA-N 1 2 335.398 3.729 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)F)o3)CC2)cc1 ZINC000881618861 1137811873 /nfs/dbraw/zinc/81/18/73/1137811873.db2.gz QBJVCVPWQHKBSC-UHFFFAOYSA-N 1 2 348.393 3.738 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1=S ZINC000024757574 1137812367 /nfs/dbraw/zinc/81/23/67/1137812367.db2.gz JOSNCISULIHWGR-KBPBESRZSA-N 1 2 332.473 3.823 20 0 EHADLO Cn1c(-c2ccco2)nn(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1=S ZINC000024757574 1137812368 /nfs/dbraw/zinc/81/23/68/1137812368.db2.gz JOSNCISULIHWGR-KBPBESRZSA-N 1 2 332.473 3.823 20 0 EHADLO COc1cccc([C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2(C)C)c1 ZINC000881658034 1137812932 /nfs/dbraw/zinc/81/29/32/1137812932.db2.gz SOTQURNFDYIGCU-MAUKXSAKSA-N 1 2 341.455 3.638 20 0 EHADLO CC(C)(NC(=O)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000882219452 1137823815 /nfs/dbraw/zinc/82/38/15/1137823815.db2.gz TYISPPRYKLJHCO-UHFFFAOYSA-N 1 2 339.361 3.734 20 0 EHADLO CCOc1ccc([C@@H](O)C2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000882390321 1137826129 /nfs/dbraw/zinc/82/61/29/1137826129.db2.gz UFSICLIITYTFCJ-LJQANCHMSA-N 1 2 330.403 3.569 20 0 EHADLO FC1(F)CN(Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCCCC1 ZINC001137179695 1137830107 /nfs/dbraw/zinc/83/01/07/1137830107.db2.gz ZPKLCNIECANTFS-GOSISDBHSA-N 1 2 345.437 3.930 20 0 EHADLO CC(C)c1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)ccc1O ZINC000882653779 1137830887 /nfs/dbraw/zinc/83/08/87/1137830887.db2.gz BRXBRWUXFACNQO-CQSZACIVSA-N 1 2 341.333 3.844 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000882788472 1137834284 /nfs/dbraw/zinc/83/42/84/1137834284.db2.gz SQDUGFMUVOUIET-KRWDZBQOSA-N 1 2 326.440 3.931 20 0 EHADLO Cc1ccc(CCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000882871570 1137836216 /nfs/dbraw/zinc/83/62/16/1137836216.db2.gz JTZDXLDUMRGVIT-GOSISDBHSA-N 1 2 339.464 3.743 20 0 EHADLO C[C@@H]1[C@H](C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1c1ccccc1 ZINC000882871505 1137836254 /nfs/dbraw/zinc/83/62/54/1137836254.db2.gz IINUBQDUXKNYMD-ZXNZYJFHSA-N 1 2 345.446 3.790 20 0 EHADLO C[C@@H](O)C[N@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000130779798 1137842105 /nfs/dbraw/zinc/84/21/05/1137842105.db2.gz HNXLEJFHFKHKOO-SNVBAGLBSA-N 1 2 328.890 3.760 20 0 EHADLO C[C@@H](O)C[N@@H+](C)Cc1sc(Sc2ccccc2)nc1Cl ZINC000130779798 1137842106 /nfs/dbraw/zinc/84/21/06/1137842106.db2.gz HNXLEJFHFKHKOO-SNVBAGLBSA-N 1 2 328.890 3.760 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](c2ccc(F)cc2)C2CCOCC2)c1 ZINC000883233166 1137849897 /nfs/dbraw/zinc/84/98/97/1137849897.db2.gz BFYAZJCFQXYQQW-IBGZPJMESA-N 1 2 330.403 3.947 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000883464657 1137861191 /nfs/dbraw/zinc/86/11/91/1137861191.db2.gz SSMQHFKNGAMTOU-QGZVFWFLSA-N 1 2 338.386 3.911 20 0 EHADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862073 1137871908 /nfs/dbraw/zinc/87/19/08/1137871908.db2.gz SUSXIBJUAPVEIY-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO C[C@@H](CC1CCOCC1)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000133097854 1137878033 /nfs/dbraw/zinc/87/80/33/1137878033.db2.gz IPHLMJDKAQRQSC-LPHOPBHVSA-N 1 2 347.499 3.734 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000105068268 1137880109 /nfs/dbraw/zinc/88/01/09/1137880109.db2.gz NJPMMOWCQBNWAM-CYBMUJFWSA-N 1 2 348.397 3.612 20 0 EHADLO CC(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)=C1CCCC1 ZINC000133190966 1137880310 /nfs/dbraw/zinc/88/03/10/1137880310.db2.gz GWQAICZNFJQMCW-ZWKOTPCHSA-N 1 2 334.410 3.717 20 0 EHADLO CC(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)=C1CCCC1 ZINC000133190966 1137880311 /nfs/dbraw/zinc/88/03/11/1137880311.db2.gz GWQAICZNFJQMCW-ZWKOTPCHSA-N 1 2 334.410 3.717 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc2cc[nH]c2c1 ZINC000107181418 1137885859 /nfs/dbraw/zinc/88/58/59/1137885859.db2.gz VTIDWBWWEHNKFU-UHFFFAOYSA-N 1 2 348.450 3.873 20 0 EHADLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C(F)F ZINC000107367601 1137886739 /nfs/dbraw/zinc/88/67/39/1137886739.db2.gz CTIWQKXYPZHYMP-UHFFFAOYSA-N 1 2 349.303 3.808 20 0 EHADLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C(F)F ZINC000107367601 1137886740 /nfs/dbraw/zinc/88/67/40/1137886740.db2.gz CTIWQKXYPZHYMP-UHFFFAOYSA-N 1 2 349.303 3.808 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc2[nH]ccc2c1 ZINC000107598627 1137887448 /nfs/dbraw/zinc/88/74/48/1137887448.db2.gz UWNVZTCOEUSHAA-UHFFFAOYSA-N 1 2 348.450 3.873 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1cccc(Cl)c1 ZINC000110113725 1137899215 /nfs/dbraw/zinc/89/92/15/1137899215.db2.gz MVVRDDJUOKSLMV-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1cccc(Cl)c1 ZINC000110113725 1137899216 /nfs/dbraw/zinc/89/92/16/1137899216.db2.gz MVVRDDJUOKSLMV-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000111406997 1137904473 /nfs/dbraw/zinc/90/44/73/1137904473.db2.gz ZLLYPSWUIBTBKP-SNVBAGLBSA-N 1 2 338.860 3.981 20 0 EHADLO Cc1ccc2c(Nc3ccc(F)cc3S(C)(=O)=O)cccc2[nH+]1 ZINC001212798684 1137913379 /nfs/dbraw/zinc/91/33/79/1137913379.db2.gz NBVITXQBMUCJIR-UHFFFAOYSA-N 1 2 330.384 3.829 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000331802272 1137921412 /nfs/dbraw/zinc/92/14/12/1137921412.db2.gz QSQIKQBAOBCDJW-RHSMWYFYSA-N 1 2 329.419 3.872 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331816621 1137921787 /nfs/dbraw/zinc/92/17/87/1137921787.db2.gz UYAZKHCYPUYYMS-GJZGRUSLSA-N 1 2 344.463 3.625 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC(C)C ZINC000332269692 1137937881 /nfs/dbraw/zinc/93/78/81/1137937881.db2.gz DXCPOBXGUWJGHD-UHFFFAOYSA-N 1 2 342.443 3.917 20 0 EHADLO CCn1cc(C2CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cn1 ZINC000332285749 1137938519 /nfs/dbraw/zinc/93/85/19/1137938519.db2.gz IGERJUZQEFLYCQ-UHFFFAOYSA-N 1 2 341.459 3.635 20 0 EHADLO C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332347164 1137940850 /nfs/dbraw/zinc/94/08/50/1137940850.db2.gz UBYWCNARKZLXTC-GJZGRUSLSA-N 1 2 332.492 3.576 20 0 EHADLO c1csc([C@@H](Nc2cc(NCC3CC3)[nH+]cn2)c2ccccc2)n1 ZINC000119532194 1137942524 /nfs/dbraw/zinc/94/25/24/1137942524.db2.gz UIMXJIZAOLGLNZ-KRWDZBQOSA-N 1 2 337.452 3.957 20 0 EHADLO c1csc([C@@H](Nc2cc(NCC3CC3)nc[nH+]2)c2ccccc2)n1 ZINC000119532194 1137942525 /nfs/dbraw/zinc/94/25/25/1137942525.db2.gz UIMXJIZAOLGLNZ-KRWDZBQOSA-N 1 2 337.452 3.957 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccn1 ZINC000119841708 1137944804 /nfs/dbraw/zinc/94/48/04/1137944804.db2.gz ZFFRBMBJYHUJNW-MOPGFXCFSA-N 1 2 347.422 3.637 20 0 EHADLO Cc1nc(N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000120353427 1137948854 /nfs/dbraw/zinc/94/88/54/1137948854.db2.gz LZGFVXKPRXLUJT-LIRRHRJNSA-N 1 2 327.428 3.522 20 0 EHADLO COc1cccc(C2=CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)C2)c1 ZINC000332695084 1137951335 /nfs/dbraw/zinc/95/13/35/1137951335.db2.gz RKHZHPBITIPRFF-UHFFFAOYSA-N 1 2 337.423 3.947 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333178743 1137957377 /nfs/dbraw/zinc/95/73/77/1137957377.db2.gz RUGVIFAGACCFPC-DJIMGWMZSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333178743 1137957378 /nfs/dbraw/zinc/95/73/78/1137957378.db2.gz RUGVIFAGACCFPC-DJIMGWMZSA-N 1 2 330.476 3.658 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC(C)(C)C1 ZINC000333215779 1137958391 /nfs/dbraw/zinc/95/83/91/1137958391.db2.gz DMQWJFZEEORGFJ-KONPQCLYSA-N 1 2 347.503 3.609 20 0 EHADLO Cc1ccc2nc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1 ZINC001137209413 1137959695 /nfs/dbraw/zinc/95/96/95/1137959695.db2.gz DURBZTWTHQJQLP-UHFFFAOYSA-N 1 2 341.455 3.596 20 0 EHADLO Cc1cccc(CCCNc2cc(Cl)nc([C@@H]3CCCO3)n2)[nH+]1 ZINC000884504579 1137961541 /nfs/dbraw/zinc/96/15/41/1137961541.db2.gz LZRYXICSHRCMBB-AWEZNQCLSA-N 1 2 332.835 3.730 20 0 EHADLO O=C(Cc1ccc(F)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000135370940 1137967718 /nfs/dbraw/zinc/96/77/18/1137967718.db2.gz ZHKANKZSYKIKTK-UHFFFAOYSA-N 1 2 343.789 3.524 20 0 EHADLO CC(C)(C(=O)OCc1cc[nH+]c(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000884783386 1137973575 /nfs/dbraw/zinc/97/35/75/1137973575.db2.gz VEIVFMVGDXISNH-UHFFFAOYSA-N 1 2 338.329 3.704 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885240326 1137991019 /nfs/dbraw/zinc/99/10/19/1137991019.db2.gz XVFFKGMWDVQGNL-PBFPGSCMSA-N 1 2 349.887 3.852 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885240326 1137991020 /nfs/dbraw/zinc/99/10/20/1137991020.db2.gz XVFFKGMWDVQGNL-PBFPGSCMSA-N 1 2 349.887 3.852 20 0 EHADLO Cn1ccnc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000348344648 1137993283 /nfs/dbraw/zinc/99/32/83/1137993283.db2.gz FTHVYSFDFRUKSX-KRWDZBQOSA-N 1 2 326.831 3.542 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC000885637516 1138013574 /nfs/dbraw/zinc/01/35/74/1138013574.db2.gz QFGCLSGQCAMDDZ-CQSZACIVSA-N 1 2 344.434 3.602 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC000885637516 1138013575 /nfs/dbraw/zinc/01/35/75/1138013575.db2.gz QFGCLSGQCAMDDZ-CQSZACIVSA-N 1 2 344.434 3.602 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccccc2OCC(F)F)cs1 ZINC000886012611 1138032385 /nfs/dbraw/zinc/03/23/85/1138032385.db2.gz LERHRLQELOYNAN-NSHDSACASA-N 1 2 342.411 3.784 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccccc2OCC(F)F)C1 ZINC000886049275 1138035146 /nfs/dbraw/zinc/03/51/46/1138035146.db2.gz JNZQJYSVQXLYAK-QGZVFWFLSA-N 1 2 332.394 3.607 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccccc2OCC(F)F)C1 ZINC000886049275 1138035148 /nfs/dbraw/zinc/03/51/48/1138035148.db2.gz JNZQJYSVQXLYAK-QGZVFWFLSA-N 1 2 332.394 3.607 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001137225852 1138050938 /nfs/dbraw/zinc/05/09/38/1138050938.db2.gz FFUSPJDMVRAVOZ-QGZVFWFLSA-N 1 2 345.874 3.769 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001137225852 1138050939 /nfs/dbraw/zinc/05/09/39/1138050939.db2.gz FFUSPJDMVRAVOZ-QGZVFWFLSA-N 1 2 345.874 3.769 20 0 EHADLO Fc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1Br ZINC000886269010 1138062800 /nfs/dbraw/zinc/06/28/00/1138062800.db2.gz IIXDPQOCJGDKMJ-UHFFFAOYSA-N 1 2 325.181 3.743 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+]Cc3cc(C4CC4)no3)c(Cl)nc21 ZINC000886272422 1138063230 /nfs/dbraw/zinc/06/32/30/1138063230.db2.gz PJIGNRSZOSRHQX-UHFFFAOYSA-N 1 2 345.834 3.821 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000886432239 1138076153 /nfs/dbraw/zinc/07/61/53/1138076153.db2.gz RYFNZSUFXUQUFG-INIZCTEOSA-N 1 2 328.437 3.877 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000886432239 1138076155 /nfs/dbraw/zinc/07/61/55/1138076155.db2.gz RYFNZSUFXUQUFG-INIZCTEOSA-N 1 2 328.437 3.877 20 0 EHADLO COC(=O)c1cncc([C@H](C)Nc2ccc([NH+]3CCCC3)cc2)c1 ZINC000886564502 1138097840 /nfs/dbraw/zinc/09/78/40/1138097840.db2.gz ZCLSEEFTHHBUEC-AWEZNQCLSA-N 1 2 325.412 3.642 20 0 EHADLO CC(C)([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1nccs1 ZINC000072662784 1138106955 /nfs/dbraw/zinc/10/69/55/1138106955.db2.gz PTYJWAYAMMXUAU-UHFFFAOYSA-N 1 2 343.496 3.794 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000886651798 1138107443 /nfs/dbraw/zinc/10/74/43/1138107443.db2.gz RLNKOHHTWJRGCW-RZAIGCCYSA-N 1 2 328.387 3.544 20 0 EHADLO Cc1[nH]c(C2CCN(Cc3ccn(-c4ccccc4)n3)CC2)[nH+]c1C ZINC000886667946 1138111427 /nfs/dbraw/zinc/11/14/27/1138111427.db2.gz KYQXCRGLHNSULQ-UHFFFAOYSA-N 1 2 335.455 3.592 20 0 EHADLO CCSc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000073990355 1138117153 /nfs/dbraw/zinc/11/71/53/1138117153.db2.gz FPYMNNDMRQTVMN-UHFFFAOYSA-N 1 2 330.457 3.864 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000886793192 1138141992 /nfs/dbraw/zinc/14/19/92/1138141992.db2.gz DAFGRMMLZFXJJA-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000886793192 1138141993 /nfs/dbraw/zinc/14/19/93/1138141993.db2.gz DAFGRMMLZFXJJA-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2sccc2Br)CC1 ZINC000886722078 1138125464 /nfs/dbraw/zinc/12/54/64/1138125464.db2.gz UCLULGKUDZIILC-UHFFFAOYSA-N 1 2 346.290 3.674 20 0 EHADLO CC(C)OC(=O)C1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000886721621 1138125471 /nfs/dbraw/zinc/12/54/71/1138125471.db2.gz FHXZYTVNNXUYJD-GFCCVEGCSA-N 1 2 349.456 3.523 20 0 EHADLO CSC1(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CCCCC1 ZINC000886740766 1138129560 /nfs/dbraw/zinc/12/95/60/1138129560.db2.gz IFFGHGDGPUSRFK-HNNXBMFYSA-N 1 2 334.464 3.689 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000886793193 1138142027 /nfs/dbraw/zinc/14/20/27/1138142027.db2.gz DAFGRMMLZFXJJA-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000886793193 1138142028 /nfs/dbraw/zinc/14/20/28/1138142028.db2.gz DAFGRMMLZFXJJA-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000886811400 1138147268 /nfs/dbraw/zinc/14/72/68/1138147268.db2.gz ROJVWGOPNSCJPZ-OAHLLOKOSA-N 1 2 348.434 3.938 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000886811400 1138147269 /nfs/dbraw/zinc/14/72/69/1138147269.db2.gz ROJVWGOPNSCJPZ-OAHLLOKOSA-N 1 2 348.434 3.938 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084069503 1138177417 /nfs/dbraw/zinc/17/74/17/1138177417.db2.gz MBSCDRWEGUOVCB-AWEZNQCLSA-N 1 2 329.469 3.839 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084069503 1138177418 /nfs/dbraw/zinc/17/74/18/1138177418.db2.gz MBSCDRWEGUOVCB-AWEZNQCLSA-N 1 2 329.469 3.839 20 0 EHADLO C[N@H+](Cc1cnccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137232354 1138182173 /nfs/dbraw/zinc/18/21/73/1138182173.db2.gz MQEBSFPGNHHZSO-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C[N@@H+](Cc1cnccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137232354 1138182175 /nfs/dbraw/zinc/18/21/75/1138182175.db2.gz MQEBSFPGNHHZSO-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCOCC1CC1 ZINC000088599075 1138194569 /nfs/dbraw/zinc/19/45/69/1138194569.db2.gz ZGLBNBHBJBISLE-CYBMUJFWSA-N 1 2 349.862 3.733 20 0 EHADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCOCC1CC1 ZINC000088599075 1138194571 /nfs/dbraw/zinc/19/45/71/1138194571.db2.gz ZGLBNBHBJBISLE-CYBMUJFWSA-N 1 2 349.862 3.733 20 0 EHADLO C[N@H+](CCCF)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000887139895 1138221214 /nfs/dbraw/zinc/22/12/14/1138221214.db2.gz IZBFBQIERDJANK-UHFFFAOYSA-N 1 2 331.416 3.855 20 0 EHADLO C[N@@H+](CCCF)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000887139895 1138221217 /nfs/dbraw/zinc/22/12/17/1138221217.db2.gz IZBFBQIERDJANK-UHFFFAOYSA-N 1 2 331.416 3.855 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921150 1138223134 /nfs/dbraw/zinc/22/31/34/1138223134.db2.gz FQAHKHBCFXTJMH-LSXSPUPJSA-N 1 2 347.455 3.725 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000091921150 1138223135 /nfs/dbraw/zinc/22/31/35/1138223135.db2.gz FQAHKHBCFXTJMH-LSXSPUPJSA-N 1 2 347.455 3.725 20 0 EHADLO CC[N@H+](Cc1cnccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137238141 1138224019 /nfs/dbraw/zinc/22/40/19/1138224019.db2.gz PLLCXVYKBWRIGT-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO CC[N@@H+](Cc1cnccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137238141 1138224021 /nfs/dbraw/zinc/22/40/21/1138224021.db2.gz PLLCXVYKBWRIGT-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)CO1 ZINC000093660658 1138239142 /nfs/dbraw/zinc/23/91/42/1138239142.db2.gz XYKRSAVSUBPCIW-XLIONFOSSA-N 1 2 337.467 3.644 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)CO1 ZINC000093660658 1138239143 /nfs/dbraw/zinc/23/91/43/1138239143.db2.gz XYKRSAVSUBPCIW-XLIONFOSSA-N 1 2 337.467 3.644 20 0 EHADLO CC(C)Cc1ncc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)s1 ZINC000093713358 1138240063 /nfs/dbraw/zinc/24/00/63/1138240063.db2.gz UEKNGELHMTWUMD-QFIPXVFZSA-N 1 2 336.526 3.711 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)s1 ZINC000093713358 1138240065 /nfs/dbraw/zinc/24/00/65/1138240065.db2.gz UEKNGELHMTWUMD-QFIPXVFZSA-N 1 2 336.526 3.711 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122287539 1138256709 /nfs/dbraw/zinc/25/67/09/1138256709.db2.gz SNVVBJZQCVICTD-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122287539 1138256711 /nfs/dbraw/zinc/25/67/11/1138256711.db2.gz SNVVBJZQCVICTD-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122777516 1138262268 /nfs/dbraw/zinc/26/22/68/1138262268.db2.gz QAQQTBYFGXDDQU-DOTOQJQBSA-N 1 2 343.496 3.702 20 0 EHADLO Cc1ccc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC001202746815 1138265113 /nfs/dbraw/zinc/26/51/13/1138265113.db2.gz HWZXYOYGBQJUIG-UHFFFAOYSA-N 1 2 339.439 3.780 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000123699540 1138273632 /nfs/dbraw/zinc/27/36/32/1138273632.db2.gz ZOFJYKXKNPMWIE-GXTWGEPZSA-N 1 2 337.876 3.640 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000123746596 1138273929 /nfs/dbraw/zinc/27/39/29/1138273929.db2.gz VVLCIPKIECIYDW-KBPBESRZSA-N 1 2 338.411 3.942 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1cccnc1 ZINC000124676749 1138292238 /nfs/dbraw/zinc/29/22/38/1138292238.db2.gz ATMUQWUGGQYATI-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000124676749 1138292240 /nfs/dbraw/zinc/29/22/40/1138292240.db2.gz ATMUQWUGGQYATI-LLVKDONJSA-N 1 2 338.238 3.847 20 0 EHADLO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125885277 1138318594 /nfs/dbraw/zinc/31/85/94/1138318594.db2.gz GZZYHVGRXVLVHS-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125885277 1138318598 /nfs/dbraw/zinc/31/85/98/1138318598.db2.gz GZZYHVGRXVLVHS-HNNXBMFYSA-N 1 2 347.480 3.682 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000126094662 1138323978 /nfs/dbraw/zinc/32/39/78/1138323978.db2.gz FUOBGSLVJMHVBK-HIFRSBDPSA-N 1 2 329.469 3.547 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CCCCCC1 ZINC000126173408 1138325916 /nfs/dbraw/zinc/32/59/16/1138325916.db2.gz CHQJUBBJIWRGNP-UHFFFAOYSA-N 1 2 330.472 3.736 20 0 EHADLO CC(C)[C@@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000333772822 1138331135 /nfs/dbraw/zinc/33/11/35/1138331135.db2.gz SDAOSUJZZVVLDW-SFHVURJKSA-N 1 2 338.455 3.698 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000127073426 1138345976 /nfs/dbraw/zinc/34/59/76/1138345976.db2.gz QALXFTLXIYGVIK-YOEHRIQHSA-N 1 2 326.444 3.923 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127088033 1138346296 /nfs/dbraw/zinc/34/62/96/1138346296.db2.gz ORGVNQSZOVAJTN-PBHICJAKSA-N 1 2 326.444 3.869 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127113772 1138347120 /nfs/dbraw/zinc/34/71/20/1138347120.db2.gz WJJPBWIAPBUHQH-IUODEOHRSA-N 1 2 348.834 3.660 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccsc2)no1)C[C@H]1OCCc2ccccc21 ZINC000263728437 1138351101 /nfs/dbraw/zinc/35/11/01/1138351101.db2.gz PMGLRQGPQAEUKG-MRXNPFEDSA-N 1 2 341.436 3.544 20 0 EHADLO C[N@H+](Cc1nc(-c2ccsc2)no1)C[C@H]1OCCc2ccccc21 ZINC000263728437 1138351105 /nfs/dbraw/zinc/35/11/05/1138351105.db2.gz PMGLRQGPQAEUKG-MRXNPFEDSA-N 1 2 341.436 3.544 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263765487 1138359981 /nfs/dbraw/zinc/35/99/81/1138359981.db2.gz DTRMRMKSIGSYFE-UHFFFAOYSA-N 1 2 343.814 3.857 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000263890620 1138387189 /nfs/dbraw/zinc/38/71/89/1138387189.db2.gz SGIWRNFNTWMQFV-UHFFFAOYSA-N 1 2 332.469 3.850 20 0 EHADLO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000336878753 1138419141 /nfs/dbraw/zinc/41/91/41/1138419141.db2.gz IKEZDTVBZJWQTO-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000336878753 1138419144 /nfs/dbraw/zinc/41/91/44/1138419144.db2.gz IKEZDTVBZJWQTO-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO Cc1cc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000336884410 1138420856 /nfs/dbraw/zinc/42/08/56/1138420856.db2.gz DSWRCSNPALJCCB-MRXNPFEDSA-N 1 2 340.471 3.564 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C/c2ccsc2)c1)[NH+]1CCOCC1 ZINC000264169268 1138432910 /nfs/dbraw/zinc/43/29/10/1138432910.db2.gz CFEFSVWCPIRXGE-LLYBFZRZSA-N 1 2 342.464 3.793 20 0 EHADLO C[C@H](c1cccc(NC(=O)CCc2cccs2)c1)[NH+]1CCOCC1 ZINC000264174890 1138434346 /nfs/dbraw/zinc/43/43/46/1138434346.db2.gz CYWASQLKNMFCGJ-OAHLLOKOSA-N 1 2 344.480 3.713 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000264197697 1138440225 /nfs/dbraw/zinc/44/02/25/1138440225.db2.gz DLOAPPPCFDQTIP-SJORKVTESA-N 1 2 345.487 3.734 20 0 EHADLO CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[C@H](C)C(C)C ZINC000264213638 1138444643 /nfs/dbraw/zinc/44/46/43/1138444643.db2.gz HTOIFLHWALTCSF-IAGOWNOFSA-N 1 2 347.503 3.978 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000264250610 1138454440 /nfs/dbraw/zinc/45/44/40/1138454440.db2.gz PCUYCROCRCHOAI-INIZCTEOSA-N 1 2 345.487 3.876 20 0 EHADLO C[C@H](c1cccc(NC(=O)N(C)CC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000264258507 1138456713 /nfs/dbraw/zinc/45/67/13/1138456713.db2.gz QSYSOBFNSXZEMT-OAHLLOKOSA-N 1 2 333.476 3.590 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000337089390 1138464196 /nfs/dbraw/zinc/46/41/96/1138464196.db2.gz IMWPNBNGUAIPGK-AWEZNQCLSA-N 1 2 344.484 3.666 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(C)n1 ZINC000337141365 1138477220 /nfs/dbraw/zinc/47/72/20/1138477220.db2.gz VNHLZWGAFKLVRQ-SJCJKPOMSA-N 1 2 327.428 3.675 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(C)n1 ZINC000337141365 1138477223 /nfs/dbraw/zinc/47/72/23/1138477223.db2.gz VNHLZWGAFKLVRQ-SJCJKPOMSA-N 1 2 327.428 3.675 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337142988 1138478106 /nfs/dbraw/zinc/47/81/06/1138478106.db2.gz XUEFOKFKPGUTHM-ZACQAIPSSA-N 1 2 329.488 3.752 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cnc2ccccc2c1 ZINC000337149507 1138480170 /nfs/dbraw/zinc/48/01/70/1138480170.db2.gz HZCCDOGAIGYCKX-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cnc2ccccc2c1 ZINC000337149507 1138480171 /nfs/dbraw/zinc/48/01/71/1138480171.db2.gz HZCCDOGAIGYCKX-UHFFFAOYSA-N 1 2 341.361 3.584 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000337157514 1138481903 /nfs/dbraw/zinc/48/19/03/1138481903.db2.gz QKVDEFPGRJNNGX-HOTGVXAUSA-N 1 2 331.504 3.998 20 0 EHADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000337161104 1138482679 /nfs/dbraw/zinc/48/26/79/1138482679.db2.gz TYROFQMPFTUHSJ-CYBMUJFWSA-N 1 2 341.361 3.701 20 0 EHADLO CCS[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000337165043 1138483614 /nfs/dbraw/zinc/48/36/14/1138483614.db2.gz XHPMRBSPPOBJSD-DOTOQJQBSA-N 1 2 349.544 3.703 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337200046 1138493508 /nfs/dbraw/zinc/49/35/08/1138493508.db2.gz ZGMSGOISXFNOIJ-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337200046 1138493512 /nfs/dbraw/zinc/49/35/12/1138493512.db2.gz ZGMSGOISXFNOIJ-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337229815 1138501887 /nfs/dbraw/zinc/50/18/87/1138501887.db2.gz VGZJBHRNVVWNCY-GFCCVEGCSA-N 1 2 349.841 3.683 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000337233617 1138502720 /nfs/dbraw/zinc/50/27/20/1138502720.db2.gz ACCSHOQSHVCXNW-UHFFFAOYSA-N 1 2 333.486 3.508 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2cccs2)o1 ZINC000131403031 1138515199 /nfs/dbraw/zinc/51/51/99/1138515199.db2.gz CQQVQMWOQVDQSL-DZGCQCFKSA-N 1 2 348.468 3.502 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2cccs2)o1 ZINC000131403031 1138515201 /nfs/dbraw/zinc/51/52/01/1138515201.db2.gz CQQVQMWOQVDQSL-DZGCQCFKSA-N 1 2 348.468 3.502 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC2CCCCC2)CC1 ZINC000887623593 1138563801 /nfs/dbraw/zinc/56/38/01/1138563801.db2.gz MVDLVOJWACMIOO-GOSISDBHSA-N 1 2 329.488 3.655 20 0 EHADLO CCc1cc(OC)ccc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000337547258 1138601709 /nfs/dbraw/zinc/60/17/09/1138601709.db2.gz MHVITHBGZYYFSU-KRWDZBQOSA-N 1 2 339.483 3.531 20 0 EHADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000132799152 1138603520 /nfs/dbraw/zinc/60/35/20/1138603520.db2.gz JSECCXDOCZUJTA-AWEZNQCLSA-N 1 2 329.469 3.871 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000132857757 1138607174 /nfs/dbraw/zinc/60/71/74/1138607174.db2.gz RULFRYINRJPJNM-LSDHHAIUSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000132857757 1138607175 /nfs/dbraw/zinc/60/71/75/1138607175.db2.gz RULFRYINRJPJNM-LSDHHAIUSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1c(Cl)cccc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337590142 1138614755 /nfs/dbraw/zinc/61/47/55/1138614755.db2.gz MNFAZCGEIBEJPX-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000264728445 1138618883 /nfs/dbraw/zinc/61/88/83/1138618883.db2.gz MSLMLZDXYOGOMP-OAHLLOKOSA-N 1 2 342.443 3.929 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264736856 1138622397 /nfs/dbraw/zinc/62/23/97/1138622397.db2.gz OJTXXOOHQYIFJR-AWEZNQCLSA-N 1 2 330.457 3.684 20 0 EHADLO Cn1c[nH+]cc1CNc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000133316313 1138632585 /nfs/dbraw/zinc/63/25/85/1138632585.db2.gz GMQBJOLAUPDUJU-HSZRJFAPSA-N 1 2 331.485 3.614 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337652207 1138634327 /nfs/dbraw/zinc/63/43/27/1138634327.db2.gz LTKFKXICWGTDGH-KPFFTGBYSA-N 1 2 349.478 3.544 20 0 EHADLO C[C@H]1CCN(c2ncnc3c4ccccc4oc32)C[C@@H]1n1cc[nH+]c1 ZINC000134093350 1138672255 /nfs/dbraw/zinc/67/22/55/1138672255.db2.gz NIOUASKVUOBHKK-ZFWWWQNUSA-N 1 2 333.395 3.660 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000337977708 1138714924 /nfs/dbraw/zinc/71/49/24/1138714924.db2.gz KYULSSRONWFABG-BLLLJJGKSA-N 1 2 333.407 3.816 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000337977708 1138714927 /nfs/dbraw/zinc/71/49/27/1138714927.db2.gz KYULSSRONWFABG-BLLLJJGKSA-N 1 2 333.407 3.816 20 0 EHADLO COc1cccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)c1 ZINC000338053178 1138734766 /nfs/dbraw/zinc/73/47/66/1138734766.db2.gz HABCTODCENQREX-UHFFFAOYSA-N 1 2 337.379 3.713 20 0 EHADLO O=C([C@@H]1CCc2ccccc21)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338261579 1138804506 /nfs/dbraw/zinc/80/45/06/1138804506.db2.gz OFRNVPOVFCWCSZ-MOPGFXCFSA-N 1 2 340.854 3.543 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)s1 ZINC000338350254 1138846931 /nfs/dbraw/zinc/84/69/31/1138846931.db2.gz DYELHRHEARFJFP-IUODEOHRSA-N 1 2 335.448 3.728 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)s1 ZINC000338350254 1138846935 /nfs/dbraw/zinc/84/69/35/1138846935.db2.gz DYELHRHEARFJFP-IUODEOHRSA-N 1 2 335.448 3.728 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000338356161 1138850752 /nfs/dbraw/zinc/85/07/52/1138850752.db2.gz PEUSGNPHYFQDJJ-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000338355002 1138850862 /nfs/dbraw/zinc/85/08/62/1138850862.db2.gz GNERTDZYXPKSRV-SJORKVTESA-N 1 2 340.471 3.557 20 0 EHADLO Cn1nccc1C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338364916 1138859403 /nfs/dbraw/zinc/85/94/03/1138859403.db2.gz ASGBKNVTCNBKHA-HNNXBMFYSA-N 1 2 327.325 3.510 20 0 EHADLO Cn1nccc1C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338364916 1138859413 /nfs/dbraw/zinc/85/94/13/1138859413.db2.gz ASGBKNVTCNBKHA-HNNXBMFYSA-N 1 2 327.325 3.510 20 0 EHADLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccs1 ZINC000338372726 1138866563 /nfs/dbraw/zinc/86/65/63/1138866563.db2.gz UALCBSMXLITVMR-UHFFFAOYSA-N 1 2 333.438 3.535 20 0 EHADLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccs1 ZINC000338372726 1138866577 /nfs/dbraw/zinc/86/65/77/1138866577.db2.gz UALCBSMXLITVMR-UHFFFAOYSA-N 1 2 333.438 3.535 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000338381120 1138875739 /nfs/dbraw/zinc/87/57/39/1138875739.db2.gz WVSSNEFSWSLGFA-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO COc1ccccc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338391961 1138884657 /nfs/dbraw/zinc/88/46/57/1138884657.db2.gz OFLKVHQQVNFAMN-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 ZINC000348486767 1138929037 /nfs/dbraw/zinc/92/90/37/1138929037.db2.gz ALBKIZVPEFVLEF-VHSXEESVSA-N 1 2 341.839 3.922 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(OC(F)F)nc2)n1-c1ccccc1 ZINC000338473480 1138931455 /nfs/dbraw/zinc/93/14/55/1138931455.db2.gz LTBXVOIFNWYCTJ-UHFFFAOYSA-N 1 2 330.338 3.789 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000348494298 1138947479 /nfs/dbraw/zinc/94/74/79/1138947479.db2.gz NZDFDLTVMVBJDZ-UONOGXRCSA-N 1 2 331.485 3.542 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150856020 1138987777 /nfs/dbraw/zinc/98/77/77/1138987777.db2.gz VREVOVAGBUDEHF-HOTGVXAUSA-N 1 2 336.439 3.996 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000151278152 1139021493 /nfs/dbraw/zinc/02/14/93/1139021493.db2.gz HHEKVSVKRUUWIJ-SFHVURJKSA-N 1 2 340.471 3.727 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000151888525 1139063391 /nfs/dbraw/zinc/06/33/91/1139063391.db2.gz MVZNZFLOXCOYGV-MNEFBYGVSA-N 1 2 338.455 3.627 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Cc1cccs1 ZINC000152902259 1139113799 /nfs/dbraw/zinc/11/37/99/1139113799.db2.gz XROJNBMBFDICEB-OAHLLOKOSA-N 1 2 339.464 3.602 20 0 EHADLO Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153422619 1139135578 /nfs/dbraw/zinc/13/55/78/1139135578.db2.gz TWUOSANUCVJKCF-NSHDSACASA-N 1 2 331.416 3.611 20 0 EHADLO CN(C[C@H]1CC=CCC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889552117 1139230916 /nfs/dbraw/zinc/23/09/16/1139230916.db2.gz DGDYZZRAVFCXIB-BZSNNMDCSA-N 1 2 342.487 3.802 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889555215 1139232344 /nfs/dbraw/zinc/23/23/44/1139232344.db2.gz GVCSUOPMHCPTSB-XIRDDKMYSA-N 1 2 342.487 3.777 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137256622 1139257859 /nfs/dbraw/zinc/25/78/59/1139257859.db2.gz OXCJQQVJKKGEMR-CQSZACIVSA-N 1 2 349.427 3.910 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1OC(=O)c1cccs1 ZINC001137256622 1139257867 /nfs/dbraw/zinc/25/78/67/1139257867.db2.gz OXCJQQVJKKGEMR-CQSZACIVSA-N 1 2 349.427 3.910 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000889714559 1139258322 /nfs/dbraw/zinc/25/83/22/1139258322.db2.gz JTAQRAGHQLKAPU-IBGZPJMESA-N 1 2 337.467 3.636 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@@H]1CCC(F)(F)C1 ZINC000890000108 1139299035 /nfs/dbraw/zinc/29/90/35/1139299035.db2.gz LXBYRYXQWMJEFF-GOEBONIOSA-N 1 2 347.409 3.873 20 0 EHADLO C[C@]12CCCC[C@H]1CN2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243760 1139328456 /nfs/dbraw/zinc/32/84/56/1139328456.db2.gz UCTJGMAUCPRXSQ-NSHGMRRFSA-N 1 2 338.455 3.599 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000890400438 1139354852 /nfs/dbraw/zinc/35/48/52/1139354852.db2.gz LQQDDXFYNFRCBR-MSOLQXFVSA-N 1 2 340.471 3.566 20 0 EHADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c(C)c1 ZINC000173766010 1139376848 /nfs/dbraw/zinc/37/68/48/1139376848.db2.gz OPEOVKCCNINYTM-UHFFFAOYSA-N 1 2 328.378 3.825 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000174368203 1139416302 /nfs/dbraw/zinc/41/63/02/1139416302.db2.gz ZRJMBJJDWUAZFB-KBPBESRZSA-N 1 2 325.416 3.791 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000174368216 1139416330 /nfs/dbraw/zinc/41/63/30/1139416330.db2.gz ZRJMBJJDWUAZFB-ZIAGYGMSSA-N 1 2 325.416 3.791 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cnn(Cc3ccccc3)c2)o1 ZINC000174478839 1139423453 /nfs/dbraw/zinc/42/34/53/1139423453.db2.gz HMPPIOKYZKSKQO-LJQANCHMSA-N 1 2 339.439 3.564 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/SCc2ccco2)c1C ZINC000175826622 1139521193 /nfs/dbraw/zinc/52/11/93/1139521193.db2.gz ULYYSVMKFUQXSO-VQHVLOKHSA-N 1 2 346.452 3.706 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2cccc(-n3cccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177610305 1139628909 /nfs/dbraw/zinc/62/89/09/1139628909.db2.gz BHZJWIIBPYKJDW-LPHOPBHVSA-N 1 2 349.438 3.789 20 0 EHADLO CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177762406 1139638842 /nfs/dbraw/zinc/63/88/42/1139638842.db2.gz DCXCLLXJIAGRRS-UHFFFAOYSA-N 1 2 348.859 3.781 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1F ZINC000178509255 1139700751 /nfs/dbraw/zinc/70/07/51/1139700751.db2.gz CVUCDZKNLDGHJM-JTQLQIEISA-N 1 2 347.287 3.789 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1F ZINC000178509255 1139700754 /nfs/dbraw/zinc/70/07/54/1139700754.db2.gz CVUCDZKNLDGHJM-JTQLQIEISA-N 1 2 347.287 3.789 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccncc2)nc2cc(Cl)ccc21 ZINC000179118758 1139736363 /nfs/dbraw/zinc/73/63/63/1139736363.db2.gz LQBPPZAQSJPYSM-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccncc2)nc2cc(Cl)ccc21 ZINC000179118758 1139736369 /nfs/dbraw/zinc/73/63/69/1139736369.db2.gz LQBPPZAQSJPYSM-MRXNPFEDSA-N 1 2 326.831 3.959 20 0 EHADLO C[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1 ZINC000180278462 1139824161 /nfs/dbraw/zinc/82/41/61/1139824161.db2.gz GUDYPYUZXBBHPK-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1 ZINC000180278462 1139824165 /nfs/dbraw/zinc/82/41/65/1139824165.db2.gz GUDYPYUZXBBHPK-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ncc(C)s2)C[C@@H]2CCCO2)c1 ZINC000180447642 1139835888 /nfs/dbraw/zinc/83/58/88/1139835888.db2.gz ZFYCVBSKNWZWJI-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO COc1cccc(C[N@H+](Cc2ncc(C)s2)C[C@@H]2CCCO2)c1 ZINC000180447642 1139835894 /nfs/dbraw/zinc/83/58/94/1139835894.db2.gz ZFYCVBSKNWZWJI-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180639182 1139852821 /nfs/dbraw/zinc/85/28/21/1139852821.db2.gz YCARSTRERSEDIA-GXTWGEPZSA-N 1 2 331.416 3.766 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1C ZINC000181357534 1139901681 /nfs/dbraw/zinc/90/16/81/1139901681.db2.gz PZFZMQNDNQDGHH-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1C ZINC000181357534 1139901685 /nfs/dbraw/zinc/90/16/85/1139901685.db2.gz PZFZMQNDNQDGHH-QGZVFWFLSA-N 1 2 337.467 3.540 20 0 EHADLO FC(F)(F)c1ccc(C2CC[NH+](Cc3csnn3)CC2)cc1 ZINC000181505392 1139911843 /nfs/dbraw/zinc/91/18/43/1139911843.db2.gz ACIOHDBHFATQMS-UHFFFAOYSA-N 1 2 327.375 3.937 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181588071 1139917550 /nfs/dbraw/zinc/91/75/50/1139917550.db2.gz IPFCFYBEZYVGPQ-GFCCVEGCSA-N 1 2 347.386 3.845 20 0 EHADLO Cc1csc([C@@H]([NH2+]Cc2cc(=O)oc3cc(O)ccc23)C2CC2)n1 ZINC000181610452 1139919116 /nfs/dbraw/zinc/91/91/16/1139919116.db2.gz IXOUGYIJDLRRRE-KRWDZBQOSA-N 1 2 342.420 3.504 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nccc(N)n1 ZINC000181719911 1139926993 /nfs/dbraw/zinc/92/69/93/1139926993.db2.gz WTMTUWCGARIRIA-MRXNPFEDSA-N 1 2 328.460 3.725 20 0 EHADLO CC(C)([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(F)c(F)c1 ZINC000181758385 1139928336 /nfs/dbraw/zinc/92/83/36/1139928336.db2.gz HHSMQDKFXITYCO-UHFFFAOYSA-N 1 2 332.398 3.794 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000284325161 1139950007 /nfs/dbraw/zinc/95/00/07/1139950007.db2.gz KIYJPNOSBRJNOC-CQSZACIVSA-N 1 2 327.453 3.852 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182594489 1139981667 /nfs/dbraw/zinc/98/16/67/1139981667.db2.gz BDRNMJIOGTVXBL-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cccnc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182594489 1139981670 /nfs/dbraw/zinc/98/16/70/1139981670.db2.gz BDRNMJIOGTVXBL-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000182953296 1140003687 /nfs/dbraw/zinc/00/36/87/1140003687.db2.gz DABCURRGQHNNDK-PSLXWICFSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000182953296 1140003694 /nfs/dbraw/zinc/00/36/94/1140003694.db2.gz DABCURRGQHNNDK-PSLXWICFSA-N 1 2 328.481 3.980 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2OCC(=O)OC)cs1 ZINC000183571232 1140047273 /nfs/dbraw/zinc/04/72/73/1140047273.db2.gz ZAVYHYHQTYGTTQ-OLZOCXBDSA-N 1 2 348.468 3.669 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1F ZINC000184196756 1140086601 /nfs/dbraw/zinc/08/66/01/1140086601.db2.gz UZTVPMPAGSSIER-QGZVFWFLSA-N 1 2 349.402 3.709 20 0 EHADLO COc1c(C)c[nH+]c(CN[C@@H](COCC(C)C)c2ccco2)c1C ZINC000184202770 1140087463 /nfs/dbraw/zinc/08/74/63/1140087463.db2.gz OYVSATAVXGSFHK-KRWDZBQOSA-N 1 2 332.444 3.804 20 0 EHADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccco1 ZINC000184201982 1140087475 /nfs/dbraw/zinc/08/74/75/1140087475.db2.gz UIHDTLBQOJDDLX-NVXWUHKLSA-N 1 2 330.428 3.610 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000184486493 1140105596 /nfs/dbraw/zinc/10/55/96/1140105596.db2.gz MJUMNWBLJWAMKS-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000184486493 1140105598 /nfs/dbraw/zinc/10/55/98/1140105598.db2.gz MJUMNWBLJWAMKS-CQSZACIVSA-N 1 2 348.468 3.957 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccco1 ZINC000184605803 1140111607 /nfs/dbraw/zinc/11/16/07/1140111607.db2.gz RHDJZLZNKAWFIC-CYBMUJFWSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C)c1ccc(C)o1 ZINC000184761657 1140119414 /nfs/dbraw/zinc/11/94/14/1140119414.db2.gz JKBQLJNRBJFKSA-DOTOQJQBSA-N 1 2 330.428 3.509 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000184989904 1140129965 /nfs/dbraw/zinc/12/99/65/1140129965.db2.gz GIGLXMOISXFVPY-OAHLLOKOSA-N 1 2 331.485 3.539 20 0 EHADLO CCCn1nc(C)c(CNc2[nH+]c3ccccc3n2CCOC)c1C ZINC000185847984 1140173659 /nfs/dbraw/zinc/17/36/59/1140173659.db2.gz YIBBUFHQABHWFI-UHFFFAOYSA-N 1 2 341.459 3.518 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185996439 1140181600 /nfs/dbraw/zinc/18/16/00/1140181600.db2.gz SKFUSTZTFXJNOA-BEFAXECRSA-N 1 2 327.428 3.583 20 0 EHADLO CC(C)(C)OC(=O)[C@H](NCc1cccc2[nH+]ccn21)c1ccccc1 ZINC000186442893 1140204566 /nfs/dbraw/zinc/20/45/66/1140204566.db2.gz IRNZXLVKPIXUER-GOSISDBHSA-N 1 2 337.423 3.507 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cn1 ZINC000186642534 1140214968 /nfs/dbraw/zinc/21/49/68/1140214968.db2.gz UEWJXCOHPZRYSK-KUHUBIRLSA-N 1 2 341.434 3.777 20 0 EHADLO CC1(C)OCc2cc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)ccc2O1 ZINC000186837961 1140224231 /nfs/dbraw/zinc/22/42/31/1140224231.db2.gz KZRRTMXVNJPKJL-GOSISDBHSA-N 1 2 345.464 3.967 20 0 EHADLO CC1(C)OCc2cc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)ccc2O1 ZINC000186837961 1140224234 /nfs/dbraw/zinc/22/42/34/1140224234.db2.gz KZRRTMXVNJPKJL-GOSISDBHSA-N 1 2 345.464 3.967 20 0 EHADLO COCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000187482135 1140257178 /nfs/dbraw/zinc/25/71/78/1140257178.db2.gz OBGTZYKEWXYYFS-UHFFFAOYSA-N 1 2 341.455 3.589 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000188508726 1140299295 /nfs/dbraw/zinc/29/92/95/1140299295.db2.gz JOWZWZLGQOOWRR-FQEVSTJZSA-N 1 2 327.472 3.990 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)oc1C ZINC000190368752 1140400861 /nfs/dbraw/zinc/40/08/61/1140400861.db2.gz NDMOKZHVAATUAT-UHFFFAOYSA-N 1 2 328.334 3.821 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)oc1C ZINC000190368752 1140400864 /nfs/dbraw/zinc/40/08/64/1140400864.db2.gz NDMOKZHVAATUAT-UHFFFAOYSA-N 1 2 328.334 3.821 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1CC ZINC000190468119 1140405256 /nfs/dbraw/zinc/40/52/56/1140405256.db2.gz PKBZXMNYHCLMTH-UHFFFAOYSA-N 1 2 342.487 3.630 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190696966 1140414744 /nfs/dbraw/zinc/41/47/44/1140414744.db2.gz UFGYVYLROQECCN-OAHLLOKOSA-N 1 2 337.423 3.740 20 0 EHADLO CC(=O)CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000191800820 1140485134 /nfs/dbraw/zinc/48/51/34/1140485134.db2.gz LLUOENKEQBGVFX-UHFFFAOYSA-N 1 2 333.819 3.860 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2ccccc2C)n1 ZINC000191828661 1140488417 /nfs/dbraw/zinc/48/84/17/1140488417.db2.gz POJNCEWZPXRVIA-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2ccccc2C)n1 ZINC000191828661 1140488418 /nfs/dbraw/zinc/48/84/18/1140488418.db2.gz POJNCEWZPXRVIA-MRXNPFEDSA-N 1 2 330.453 3.965 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)c3nc(C)cc(=O)[nH]3)c(C)c2c1 ZINC000192781061 1140550259 /nfs/dbraw/zinc/55/02/59/1140550259.db2.gz CKXHERUDDWFNHK-OLZOCXBDSA-N 1 2 341.411 3.966 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193261105 1140568614 /nfs/dbraw/zinc/56/86/14/1140568614.db2.gz JTAQAUPWIHCOGY-INIZCTEOSA-N 1 2 329.893 3.690 20 0 EHADLO COC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000193279995 1140570095 /nfs/dbraw/zinc/57/00/95/1140570095.db2.gz BYYTZCBDCXUSIR-CYBMUJFWSA-N 1 2 347.768 3.576 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000266342018 1140670380 /nfs/dbraw/zinc/67/03/80/1140670380.db2.gz MPOQTSBDYXKISG-FQEVSTJZSA-N 1 2 325.456 3.974 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CCCC1 ZINC000266518785 1140698297 /nfs/dbraw/zinc/69/82/97/1140698297.db2.gz IZCYJJAPCZMFKW-UHFFFAOYSA-N 1 2 344.503 3.520 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266530379 1140698856 /nfs/dbraw/zinc/69/88/56/1140698856.db2.gz MOMYDMJNSHIHOK-OAHLLOKOSA-N 1 2 331.485 3.535 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000267206399 1140767774 /nfs/dbraw/zinc/76/77/74/1140767774.db2.gz RLHRGAZIDWGTLO-MRXNPFEDSA-N 1 2 328.460 3.509 20 0 EHADLO Cc1[nH]ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000267366870 1140783157 /nfs/dbraw/zinc/78/31/57/1140783157.db2.gz PBIZHUWVRFMENX-MRXNPFEDSA-N 1 2 349.837 3.683 20 0 EHADLO CC(C)OCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267457388 1140792792 /nfs/dbraw/zinc/79/27/92/1140792792.db2.gz PCESVAKPHBTESB-UHFFFAOYSA-N 1 2 342.443 3.746 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000267721366 1140824692 /nfs/dbraw/zinc/82/46/92/1140824692.db2.gz YQHRGVHMULIBMM-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000267721366 1140824697 /nfs/dbraw/zinc/82/46/97/1140824697.db2.gz YQHRGVHMULIBMM-HNNXBMFYSA-N 1 2 338.860 3.596 20 0 EHADLO CC(C)n1ccnc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000267773402 1140831325 /nfs/dbraw/zinc/83/13/25/1140831325.db2.gz SLHVYWDHVJVPAD-SFHVURJKSA-N 1 2 339.439 3.793 20 0 EHADLO CC(C)n1ccnc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000267773402 1140831336 /nfs/dbraw/zinc/83/13/36/1140831336.db2.gz SLHVYWDHVJVPAD-SFHVURJKSA-N 1 2 339.439 3.793 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000268093487 1140881811 /nfs/dbraw/zinc/88/18/11/1140881811.db2.gz USQGJZNVQDHIEM-HNNXBMFYSA-N 1 2 344.434 3.565 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000268211093 1140903797 /nfs/dbraw/zinc/90/37/97/1140903797.db2.gz ZLINMDVLMKQPQK-LJQANCHMSA-N 1 2 325.456 3.972 20 0 EHADLO C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000268355135 1140925890 /nfs/dbraw/zinc/92/58/90/1140925890.db2.gz FNVIRNNGNZXUOC-SJLPKXTDSA-N 1 2 325.456 3.562 20 0 EHADLO CSc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Cl)cc1Cl ZINC000268364952 1140927637 /nfs/dbraw/zinc/92/76/37/1140927637.db2.gz QVTQUFVYISHPCD-VIFPVBQESA-N 1 2 344.267 3.730 20 0 EHADLO COc1cccc(F)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000268450276 1140941228 /nfs/dbraw/zinc/94/12/28/1140941228.db2.gz MNBKTPOVJOYSJU-UHFFFAOYSA-N 1 2 349.431 3.529 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000268520489 1140951318 /nfs/dbraw/zinc/95/13/18/1140951318.db2.gz GBSJLBBVZGRSPV-LJQANCHMSA-N 1 2 334.423 3.593 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nccc(N)n1)C1CC1 ZINC000268550061 1140953900 /nfs/dbraw/zinc/95/39/00/1140953900.db2.gz IGIDPVBGBJXWSF-NSHDSACASA-N 1 2 336.361 3.803 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nccc(N)n1)C1CC1 ZINC000268550061 1140953905 /nfs/dbraw/zinc/95/39/05/1140953905.db2.gz IGIDPVBGBJXWSF-NSHDSACASA-N 1 2 336.361 3.803 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nccc(N)n1)C1CC1 ZINC000268550060 1140953984 /nfs/dbraw/zinc/95/39/84/1140953984.db2.gz IGIDPVBGBJXWSF-LLVKDONJSA-N 1 2 336.361 3.803 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nccc(N)n1)C1CC1 ZINC000268550060 1140953990 /nfs/dbraw/zinc/95/39/90/1140953990.db2.gz IGIDPVBGBJXWSF-LLVKDONJSA-N 1 2 336.361 3.803 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)ccc1F ZINC000268550500 1140953998 /nfs/dbraw/zinc/95/39/98/1140953998.db2.gz GPPZSMDYSSASTK-OLZOCXBDSA-N 1 2 326.375 3.991 20 0 EHADLO Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccn3cc[nH+]c3c2)c(C)c1 ZINC000268626449 1140964310 /nfs/dbraw/zinc/96/43/10/1140964310.db2.gz YZTZOZAZGRYCCD-MRXNPFEDSA-N 1 2 336.439 3.854 20 0 EHADLO Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000268799941 1140995035 /nfs/dbraw/zinc/99/50/35/1140995035.db2.gz FYPGJOZBJFEQJJ-QGZVFWFLSA-N 1 2 341.455 3.592 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1nnc2n1CCCCC2 ZINC000268870325 1141013653 /nfs/dbraw/zinc/01/36/53/1141013653.db2.gz UEZZEPIGAWJSOK-ZBFHGGJFSA-N 1 2 330.480 3.584 20 0 EHADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[S@](=O)Cc1c[nH+]cn1C ZINC000269709825 1141137439 /nfs/dbraw/zinc/13/74/39/1141137439.db2.gz PMDKLGQRLJAUTA-BSNNYGBQSA-N 1 2 349.843 3.738 20 0 EHADLO CCSc1ccc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000269820750 1141147539 /nfs/dbraw/zinc/14/75/39/1141147539.db2.gz PBYNVTVMDVLZHR-MAUKXSAKSA-N 1 2 343.496 3.647 20 0 EHADLO Cc1noc([C@@H]2CCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C2)n1 ZINC000269965617 1141162899 /nfs/dbraw/zinc/16/28/99/1141162899.db2.gz NGBJORIYNSKAKF-CQSZACIVSA-N 1 2 329.448 3.799 20 0 EHADLO COc1ccc2cccc(CC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000270045690 1141171978 /nfs/dbraw/zinc/17/19/78/1141171978.db2.gz SZYWDDVUNGUSTN-UHFFFAOYSA-N 1 2 349.434 3.520 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270332514 1141208121 /nfs/dbraw/zinc/20/81/21/1141208121.db2.gz XZSUWNNYFRJESH-VOMSXAGXSA-N 1 2 329.831 3.873 20 0 EHADLO CCCn1c(C)nnc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271093929 1141306692 /nfs/dbraw/zinc/30/66/92/1141306692.db2.gz XOPBMAGSHMXYSU-UHFFFAOYSA-N 1 2 348.454 3.524 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CCO2)c1 ZINC000271159334 1141316043 /nfs/dbraw/zinc/31/60/43/1141316043.db2.gz JQHIPTPQJDGZNE-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCO2)c1 ZINC000271159334 1141316049 /nfs/dbraw/zinc/31/60/49/1141316049.db2.gz JQHIPTPQJDGZNE-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000271257508 1141334822 /nfs/dbraw/zinc/33/48/22/1141334822.db2.gz JZHGHVTVMGOCHP-NVXWUHKLSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000271257508 1141334829 /nfs/dbraw/zinc/33/48/29/1141334829.db2.gz JZHGHVTVMGOCHP-NVXWUHKLSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271278849 1141338397 /nfs/dbraw/zinc/33/83/97/1141338397.db2.gz BGAKCIKLHKBGTE-LJQANCHMSA-N 1 2 332.407 3.553 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCCC[C@H]1c1ccco1 ZINC000271365011 1141351680 /nfs/dbraw/zinc/35/16/80/1141351680.db2.gz QJCSCQVTQISNJV-KRWDZBQOSA-N 1 2 336.395 3.618 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cs1 ZINC000271459307 1141373230 /nfs/dbraw/zinc/37/32/30/1141373230.db2.gz FYANAMLVTHBJPA-TVQRCGJNSA-N 1 2 341.274 3.598 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)[nH]1 ZINC000271462879 1141374113 /nfs/dbraw/zinc/37/41/13/1141374113.db2.gz HQXXBXUOQRPUQR-IUCAKERBSA-N 1 2 341.228 3.681 20 0 EHADLO CC[N@H+](Cc1nc(Cc2cccc3ccc(OC)cc32)no1)C1CC1 ZINC000273857469 1141434191 /nfs/dbraw/zinc/43/41/91/1141434191.db2.gz JCUNEZBKYNPBPN-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2cccc3ccc(OC)cc32)no1)C1CC1 ZINC000273857469 1141434194 /nfs/dbraw/zinc/43/41/94/1141434194.db2.gz JCUNEZBKYNPBPN-UHFFFAOYSA-N 1 2 337.423 3.807 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273863951 1141435358 /nfs/dbraw/zinc/43/53/58/1141435358.db2.gz OOFQJYRSPQROKE-NSHDSACASA-N 1 2 348.244 3.991 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)o1 ZINC000273863951 1141435362 /nfs/dbraw/zinc/43/53/62/1141435362.db2.gz OOFQJYRSPQROKE-NSHDSACASA-N 1 2 348.244 3.991 20 0 EHADLO CCn1nccc1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC000274249765 1141489722 /nfs/dbraw/zinc/48/97/22/1141489722.db2.gz HSABMRQJLPQRDH-UHFFFAOYSA-N 1 2 346.438 3.503 20 0 EHADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000274338292 1141498793 /nfs/dbraw/zinc/49/87/93/1141498793.db2.gz CTRTYURPAOLSCS-NRFANRHFSA-N 1 2 346.434 3.505 20 0 EHADLO CCc1nc(C(C)C)ccc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000339126479 1141503635 /nfs/dbraw/zinc/50/36/35/1141503635.db2.gz XPZVYEOKIODUFW-UHFFFAOYSA-N 1 2 326.488 3.932 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000339134173 1141505882 /nfs/dbraw/zinc/50/58/82/1141505882.db2.gz IAGROQOFTFQVOP-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000274393722 1141514197 /nfs/dbraw/zinc/51/41/97/1141514197.db2.gz WGBRNIJBVVKATC-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000274393722 1141514201 /nfs/dbraw/zinc/51/42/01/1141514201.db2.gz WGBRNIJBVVKATC-UHFFFAOYSA-N 1 2 337.872 3.684 20 0 EHADLO CC[C@H](SC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000339173342 1141517444 /nfs/dbraw/zinc/51/74/44/1141517444.db2.gz YNMNOIHZJGJSGB-INIZCTEOSA-N 1 2 329.469 3.967 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553147 1141550945 /nfs/dbraw/zinc/55/09/45/1141550945.db2.gz NQKPWUOVKNVPDG-XLIONFOSSA-N 1 2 339.483 3.868 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553147 1141550946 /nfs/dbraw/zinc/55/09/46/1141550946.db2.gz NQKPWUOVKNVPDG-XLIONFOSSA-N 1 2 339.483 3.868 20 0 EHADLO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000348560966 1141552113 /nfs/dbraw/zinc/55/21/13/1141552113.db2.gz WMFXENVFNMWSOX-BSEYFRJRSA-N 1 2 347.484 3.576 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2nccc(C)c2c1 ZINC000283240010 1141577496 /nfs/dbraw/zinc/57/74/96/1141577496.db2.gz AQDWKUQUOUSFBL-UHFFFAOYSA-N 1 2 334.423 3.595 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(Cl)c1 ZINC000348865721 1141599592 /nfs/dbraw/zinc/59/95/92/1141599592.db2.gz IRTNWHXORMHIIP-HNNXBMFYSA-N 1 2 334.851 3.533 20 0 EHADLO CCOC(=O)C[N@H+](CCc1csc(C)n1)[C@H](C)c1ccccc1 ZINC000348959890 1141615223 /nfs/dbraw/zinc/61/52/23/1141615223.db2.gz XALJQPLRMROQGM-CQSZACIVSA-N 1 2 332.469 3.620 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1csc(C)n1)[C@H](C)c1ccccc1 ZINC000348959890 1141615228 /nfs/dbraw/zinc/61/52/28/1141615228.db2.gz XALJQPLRMROQGM-CQSZACIVSA-N 1 2 332.469 3.620 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)c[nH+]1 ZINC001299355982 1141643238 /nfs/dbraw/zinc/64/32/38/1141643238.db2.gz ADILKTZZOVRNIO-UHFFFAOYSA-N 1 2 333.435 3.989 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(F)c3)n2)CC1 ZINC000022324823 212291227 /nfs/dbraw/zinc/29/12/27/212291227.db2.gz ABOZDHRYMCZSMM-UHFFFAOYSA-N 1 2 333.432 3.766 20 0 EHADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000122640559 222128672 /nfs/dbraw/zinc/12/86/72/222128672.db2.gz IDXSDWSGBSAGAK-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000122640559 222128677 /nfs/dbraw/zinc/12/86/77/222128677.db2.gz IDXSDWSGBSAGAK-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CCOC(=O)[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccccc1 ZINC000610515894 480328125 /nfs/dbraw/zinc/32/81/25/480328125.db2.gz IJLAGAZIHASJBX-HNNXBMFYSA-N 1 2 327.428 3.533 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000367942438 523574336 /nfs/dbraw/zinc/57/43/36/523574336.db2.gz OWEGEVPWFIAVCJ-UHFFFAOYSA-N 1 2 344.842 3.839 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2cc[nH]c2c1 ZINC000033240863 527508265 /nfs/dbraw/zinc/50/82/65/527508265.db2.gz WZSLRDYKAUDXPD-UHFFFAOYSA-N 1 2 340.452 3.863 20 0 EHADLO CO[C@@H](C)c1nc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cs1 ZINC000275524209 564009123 /nfs/dbraw/zinc/00/91/23/564009123.db2.gz BTMBLFNFFQQFGF-LRDDRELGSA-N 1 2 346.500 3.790 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000225499906 564135431 /nfs/dbraw/zinc/13/54/31/564135431.db2.gz BKDOUJFTKSEHGF-ZBFHGGJFSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1noc(C)c1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000225499906 564135432 /nfs/dbraw/zinc/13/54/32/564135432.db2.gz BKDOUJFTKSEHGF-ZBFHGGJFSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000737270553 599324361 /nfs/dbraw/zinc/32/43/61/599324361.db2.gz CVQTUXMSLKGTEM-OAHLLOKOSA-N 1 2 348.454 3.948 20 0 EHADLO O=C([O-])c1sc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000740279866 600148763 /nfs/dbraw/zinc/14/87/63/600148763.db2.gz QXRFUFYGECPTNL-UHFFFAOYSA-N 1 2 341.436 3.633 20 0 EHADLO CC(C)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000826965719 600758526 /nfs/dbraw/zinc/75/85/26/600758526.db2.gz BUWKGFCEFPBBBH-OAHLLOKOSA-N 1 2 345.270 3.582 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3cc4cccnc4o3)CCO2)ccc1F ZINC000449031397 1032067235 /nfs/dbraw/zinc/06/72/35/1032067235.db2.gz UWFDYKJLWZGYNK-SFHVURJKSA-N 1 2 326.371 3.849 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3cc4cccnc4o3)CCO2)ccc1F ZINC000449031397 1032067249 /nfs/dbraw/zinc/06/72/49/1032067249.db2.gz UWFDYKJLWZGYNK-SFHVURJKSA-N 1 2 326.371 3.849 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000089969949 1020318489 /nfs/dbraw/zinc/31/84/89/1020318489.db2.gz WOVLRRSOQFEJJX-UHFFFAOYSA-N 1 2 328.161 3.883 20 0 EHADLO Cc1cn2cc(NC(=O)c3sccc3Br)ccc2[nH+]1 ZINC000339273568 1014140030 /nfs/dbraw/zinc/14/00/30/1014140030.db2.gz KUTYUULSQQJZLX-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1nc2c(s1)CCC2 ZINC000579685964 1014183742 /nfs/dbraw/zinc/18/37/42/1014183742.db2.gz ZFRMPAJIDQMERG-GFCCVEGCSA-N 1 2 329.473 3.585 20 0 EHADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1nc2c(s1)CCC2 ZINC000579685964 1014183748 /nfs/dbraw/zinc/18/37/48/1014183748.db2.gz ZFRMPAJIDQMERG-GFCCVEGCSA-N 1 2 329.473 3.585 20 0 EHADLO COc1ccc(F)c(CNc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000339308759 1014201116 /nfs/dbraw/zinc/20/11/16/1014201116.db2.gz IYODHAPSIRWNND-UHFFFAOYSA-N 1 2 341.386 3.722 20 0 EHADLO CC(C)c1c(NC(=O)CCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000683122460 1014404559 /nfs/dbraw/zinc/40/45/59/1014404559.db2.gz XFCBBLUOKINVDN-UHFFFAOYSA-N 1 2 337.427 3.611 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000654825376 1014443872 /nfs/dbraw/zinc/44/38/72/1014443872.db2.gz ZKPWHOMUKBIZNC-BPQIPLTHSA-N 1 2 347.503 3.565 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000654825376 1014443875 /nfs/dbraw/zinc/44/38/75/1014443875.db2.gz ZKPWHOMUKBIZNC-BPQIPLTHSA-N 1 2 347.503 3.565 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000339444561 1014499892 /nfs/dbraw/zinc/49/98/92/1014499892.db2.gz OQKQZMVMOJVREB-SFHVURJKSA-N 1 2 329.419 3.695 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000339444561 1014499897 /nfs/dbraw/zinc/49/98/97/1014499897.db2.gz OQKQZMVMOJVREB-SFHVURJKSA-N 1 2 329.419 3.695 20 0 EHADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339469458 1014532590 /nfs/dbraw/zinc/53/25/90/1014532590.db2.gz KLHPXLIAVIUFAF-OLZOCXBDSA-N 1 2 349.887 3.570 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000339471141 1014537072 /nfs/dbraw/zinc/53/70/72/1014537072.db2.gz ZSJXQALTXJMDTO-AABGKKOBSA-N 1 2 345.446 3.693 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)OCC1CC1 ZINC000784922657 1014580066 /nfs/dbraw/zinc/58/00/66/1014580066.db2.gz NRDOLQSIZPNFAQ-HNNXBMFYSA-N 1 2 340.826 3.752 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044897999 1014601473 /nfs/dbraw/zinc/60/14/73/1014601473.db2.gz IKYVPFQXOIZKRQ-UHFFFAOYSA-N 1 2 330.453 3.668 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044897999 1014601478 /nfs/dbraw/zinc/60/14/78/1014601478.db2.gz IKYVPFQXOIZKRQ-UHFFFAOYSA-N 1 2 330.453 3.668 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)cc(OC)c1 ZINC000449025410 1032098430 /nfs/dbraw/zinc/09/84/30/1032098430.db2.gz BPCLZHWKZMMMMV-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)cc(OC)c1 ZINC000449025410 1032098449 /nfs/dbraw/zinc/09/84/49/1032098449.db2.gz BPCLZHWKZMMMMV-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(F)c1 ZINC000339522553 1014684925 /nfs/dbraw/zinc/68/49/25/1014684925.db2.gz AECVFMSEJGKCTE-UHFFFAOYSA-N 1 2 331.341 3.639 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000339523686 1014693176 /nfs/dbraw/zinc/69/31/76/1014693176.db2.gz PRWVMCDFSZGTMM-UHFFFAOYSA-N 1 2 331.341 3.888 20 0 EHADLO CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000339549937 1014820144 /nfs/dbraw/zinc/82/01/44/1014820144.db2.gz XIPXHXMZYDUJFX-TZMCWYRMSA-N 1 2 333.819 3.669 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029442107 1014841296 /nfs/dbraw/zinc/84/12/96/1014841296.db2.gz MUUPEVOMFVSFSF-HNNXBMFYSA-N 1 2 335.407 3.762 20 0 EHADLO Cc1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2F)c(C)c[nH+]1 ZINC000650107060 1014860281 /nfs/dbraw/zinc/86/02/81/1014860281.db2.gz JBNNETAXOCTNIQ-QGZVFWFLSA-N 1 2 341.430 3.889 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650107362 1014856038 /nfs/dbraw/zinc/85/60/38/1014856038.db2.gz XFRQIWJQXWMVOC-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000650107362 1014856054 /nfs/dbraw/zinc/85/60/54/1014856054.db2.gz XFRQIWJQXWMVOC-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547667262 1014883611 /nfs/dbraw/zinc/88/36/11/1014883611.db2.gz CCROZHKRKCLWJU-MRXNPFEDSA-N 1 2 326.444 3.608 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000157595670 1015117634 /nfs/dbraw/zinc/11/76/34/1015117634.db2.gz BMXXQLMTNMAJNN-OAHLLOKOSA-N 1 2 342.414 3.787 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000157595670 1015117636 /nfs/dbraw/zinc/11/76/36/1015117636.db2.gz BMXXQLMTNMAJNN-OAHLLOKOSA-N 1 2 342.414 3.787 20 0 EHADLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cc2ccccc2o1 ZINC000024054629 1015221628 /nfs/dbraw/zinc/22/16/28/1015221628.db2.gz ASBUUZYDCYBWQJ-CYBMUJFWSA-N 1 2 348.406 3.953 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000655208726 1015229020 /nfs/dbraw/zinc/22/90/20/1015229020.db2.gz MPYSOUMSTBHQEB-QUCCMNQESA-N 1 2 346.434 3.676 20 0 EHADLO Cc1nc(C2([NH2+]CCC(=O)c3ccc(C)cc3)CCCCC2)no1 ZINC000274802977 1015249143 /nfs/dbraw/zinc/24/91/43/1015249143.db2.gz RNYKHUREHSLEMM-UHFFFAOYSA-N 1 2 327.428 3.708 20 0 EHADLO Cc1ccc([C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(F)(F)F)o1 ZINC000655328777 1015357922 /nfs/dbraw/zinc/35/79/22/1015357922.db2.gz XUWNCGHRXFBQRD-CQSZACIVSA-N 1 2 337.301 3.578 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2Cc3cc(C)ccc3CC2(C)C)n1 ZINC000339636886 1015442332 /nfs/dbraw/zinc/44/23/32/1015442332.db2.gz JNFYTXOYJAXILK-AWEZNQCLSA-N 1 2 329.444 3.812 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2Cc3cc(C)ccc3CC2(C)C)n1 ZINC000339636886 1015442336 /nfs/dbraw/zinc/44/23/36/1015442336.db2.gz JNFYTXOYJAXILK-AWEZNQCLSA-N 1 2 329.444 3.812 20 0 EHADLO CCSCc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000339655259 1015470209 /nfs/dbraw/zinc/47/02/09/1015470209.db2.gz YJLHCBDMUZVPJN-HNNXBMFYSA-N 1 2 344.484 3.695 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000274967453 1015683096 /nfs/dbraw/zinc/68/30/96/1015683096.db2.gz XPVXSOKYCVHDPQ-OCCSQVGLSA-N 1 2 333.867 3.855 20 0 EHADLO CC(C)COCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339842891 1015743332 /nfs/dbraw/zinc/74/33/32/1015743332.db2.gz UZFRHJYNUVNZFN-UHFFFAOYSA-N 1 2 339.439 3.603 20 0 EHADLO CSCc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000109389985 1015762191 /nfs/dbraw/zinc/76/21/91/1015762191.db2.gz VGAWVVDWROAILM-UHFFFAOYSA-N 1 2 344.484 3.958 20 0 EHADLO COc1cccc2c(C[N@@H+](C)Cc3nc([C@@H](C)OC)no3)cccc12 ZINC000449051325 1032126733 /nfs/dbraw/zinc/12/67/33/1032126733.db2.gz XLZRLOBRXHDMAK-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO COc1cccc2c(C[N@H+](C)Cc3nc([C@@H](C)OC)no3)cccc12 ZINC000449051325 1032126743 /nfs/dbraw/zinc/12/67/43/1032126743.db2.gz XLZRLOBRXHDMAK-CYBMUJFWSA-N 1 2 341.411 3.571 20 0 EHADLO c1ccc([C@@H](NCC[N@@H+]2CCc3ccccc3C2)c2ccccn2)cc1 ZINC000180037796 1015837920 /nfs/dbraw/zinc/83/79/20/1015837920.db2.gz YTRGEUWBXCRQQJ-HSZRJFAPSA-N 1 2 343.474 3.819 20 0 EHADLO c1ccc([C@@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccn2)cc1 ZINC000180037796 1015837926 /nfs/dbraw/zinc/83/79/26/1015837926.db2.gz YTRGEUWBXCRQQJ-HSZRJFAPSA-N 1 2 343.474 3.819 20 0 EHADLO OCC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCc2ccccc21 ZINC000155074449 1016123332 /nfs/dbraw/zinc/12/33/32/1016123332.db2.gz CCHRIMPYBCVEDO-CYBMUJFWSA-N 1 2 342.386 3.644 20 0 EHADLO OCC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCc2ccccc21 ZINC000155074449 1016123338 /nfs/dbraw/zinc/12/33/38/1016123338.db2.gz CCHRIMPYBCVEDO-CYBMUJFWSA-N 1 2 342.386 3.644 20 0 EHADLO COC[C@H](C)N(Cc1cccc(OC)c1)c1cc(SC)cc[nH+]1 ZINC001167120709 1016142877 /nfs/dbraw/zinc/14/28/77/1016142877.db2.gz UKOQFPRWKHSNJR-AWEZNQCLSA-N 1 2 332.469 3.854 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045915490 1016198808 /nfs/dbraw/zinc/19/88/08/1016198808.db2.gz FOTYRXSTPJDHBF-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045915490 1016198817 /nfs/dbraw/zinc/19/88/17/1016198817.db2.gz FOTYRXSTPJDHBF-LBPRGKRZSA-N 1 2 328.803 3.978 20 0 EHADLO Clc1ccc2nc(Cl)nc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001167126736 1016210954 /nfs/dbraw/zinc/21/09/54/1016210954.db2.gz LKSNMTMEJTYAKW-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO CC[C@H](CNc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 ZINC000026695776 1016350974 /nfs/dbraw/zinc/35/09/74/1016350974.db2.gz XFNNHGAJPGOJMK-OAHLLOKOSA-N 1 2 336.439 3.640 20 0 EHADLO CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000510196822 1016397721 /nfs/dbraw/zinc/39/77/21/1016397721.db2.gz JTHISZLJNCEZLB-UHFFFAOYSA-N 1 2 325.456 3.878 20 0 EHADLO CCc1cc(C)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000407960468 1016488542 /nfs/dbraw/zinc/48/85/42/1016488542.db2.gz YBXLTOUUQLFZOK-HNNXBMFYSA-N 1 2 341.455 3.703 20 0 EHADLO COCC[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccco1 ZINC000459454114 1032148770 /nfs/dbraw/zinc/14/87/70/1032148770.db2.gz BLTYEKWSYXWCFG-LBPRGKRZSA-N 1 2 340.217 3.615 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCCO1 ZINC000340185114 1016638992 /nfs/dbraw/zinc/63/89/92/1016638992.db2.gz PGXIKGJARLJUOV-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCCO1 ZINC000340185114 1016639000 /nfs/dbraw/zinc/63/90/00/1016639000.db2.gz PGXIKGJARLJUOV-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000430400187 1016720951 /nfs/dbraw/zinc/72/09/51/1016720951.db2.gz MWRBPLHGZHCFDA-NDXORKPFSA-N 1 2 345.446 3.597 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2nnc[nH]2)cc1 ZINC000340237449 1016756854 /nfs/dbraw/zinc/75/68/54/1016756854.db2.gz PHWZLFNQRJIGPP-LJQANCHMSA-N 1 2 349.413 3.737 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccs2)C[C@@H](C)O1 ZINC000046342231 1016858932 /nfs/dbraw/zinc/85/89/32/1016858932.db2.gz UJXUMQPUMBDJSL-ZIAGYGMSSA-N 1 2 330.453 3.610 20 0 EHADLO CCOc1ccc(NC(=O)c2ccn3c(C)c[nH+]c3c2)cc1OCC ZINC000654384501 1016890231 /nfs/dbraw/zinc/89/02/31/1016890231.db2.gz VSQKJLGOEYTXDK-UHFFFAOYSA-N 1 2 339.395 3.692 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121167207 1016900169 /nfs/dbraw/zinc/90/01/69/1016900169.db2.gz AJBXLWPVDDCJIP-IBGZPJMESA-N 1 2 349.482 3.651 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121167207 1016900182 /nfs/dbraw/zinc/90/01/82/1016900182.db2.gz AJBXLWPVDDCJIP-IBGZPJMESA-N 1 2 349.482 3.651 20 0 EHADLO FC1(F)CC=C(Nc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001210034721 1016927316 /nfs/dbraw/zinc/92/73/16/1016927316.db2.gz ALASDYVSAJTDGZ-UHFFFAOYSA-N 1 2 338.398 3.513 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)c1 ZINC000376625043 1016956959 /nfs/dbraw/zinc/95/69/59/1016956959.db2.gz BWLDVMLHWYWKEJ-MRXNPFEDSA-N 1 2 339.483 3.880 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)c1 ZINC000376625043 1016956970 /nfs/dbraw/zinc/95/69/70/1016956970.db2.gz BWLDVMLHWYWKEJ-MRXNPFEDSA-N 1 2 339.483 3.880 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000340358793 1017026047 /nfs/dbraw/zinc/02/60/47/1017026047.db2.gz BTZJYOYPVMUQKQ-UHFFFAOYSA-N 1 2 331.419 3.806 20 0 EHADLO Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340374268 1017056095 /nfs/dbraw/zinc/05/60/95/1017056095.db2.gz QLJDIBTXDRIPJC-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000340374268 1017056113 /nfs/dbraw/zinc/05/61/13/1017056113.db2.gz QLJDIBTXDRIPJC-LJQANCHMSA-N 1 2 347.418 3.863 20 0 EHADLO FC(F)(F)CN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659811465 1017056752 /nfs/dbraw/zinc/05/67/52/1017056752.db2.gz IVCLHNLVAVMJSI-UHFFFAOYSA-N 1 2 338.826 3.612 20 0 EHADLO CC(C)Cc1ccc([C@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)cc1 ZINC000188130683 1017061481 /nfs/dbraw/zinc/06/14/81/1017061481.db2.gz OFDNUXHYIZVCEJ-HXUWFJFHSA-N 1 2 327.472 3.675 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000528369348 1032198544 /nfs/dbraw/zinc/19/85/44/1032198544.db2.gz ZXTPNHJEJANJOO-IAGOWNOFSA-N 1 2 347.434 3.727 20 0 EHADLO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000528369348 1032198551 /nfs/dbraw/zinc/19/85/51/1032198551.db2.gz ZXTPNHJEJANJOO-IAGOWNOFSA-N 1 2 347.434 3.727 20 0 EHADLO COc1cc(C[N@H+](Cc2nc(C3CC3)cs2)C2CC2)ccc1O ZINC000343756524 1032209506 /nfs/dbraw/zinc/20/95/06/1032209506.db2.gz YXVPABKYPWYQJH-UHFFFAOYSA-N 1 2 330.453 3.899 20 0 EHADLO COc1cc(C[N@@H+](Cc2nc(C3CC3)cs2)C2CC2)ccc1O ZINC000343756524 1032209522 /nfs/dbraw/zinc/20/95/22/1032209522.db2.gz YXVPABKYPWYQJH-UHFFFAOYSA-N 1 2 330.453 3.899 20 0 EHADLO CC1(C)CCCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425283954 1032207631 /nfs/dbraw/zinc/20/76/31/1032207631.db2.gz PTXCXHDRSNCZDV-KRWDZBQOSA-N 1 2 325.456 3.970 20 0 EHADLO Cn1cccc1C[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000528402836 1032233196 /nfs/dbraw/zinc/23/31/96/1032233196.db2.gz JIJSJEYSZDSTNI-UHFFFAOYSA-N 1 2 329.188 3.698 20 0 EHADLO Cn1cccc1C[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000528402836 1032233211 /nfs/dbraw/zinc/23/32/11/1032233211.db2.gz JIJSJEYSZDSTNI-UHFFFAOYSA-N 1 2 329.188 3.698 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1[C@H]1CCCO1 ZINC000329776907 1032238723 /nfs/dbraw/zinc/23/87/23/1032238723.db2.gz KGFOEQGEGBSCBM-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1[C@H]1CCCO1 ZINC000329776907 1032238731 /nfs/dbraw/zinc/23/87/31/1032238731.db2.gz KGFOEQGEGBSCBM-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]2CCC2CCCC2)co1 ZINC000528403612 1032239905 /nfs/dbraw/zinc/23/99/05/1032239905.db2.gz DILKXIIFNFCXSR-INIZCTEOSA-N 1 2 325.474 3.618 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]2CCC2CCCC2)co1 ZINC000528403612 1032239916 /nfs/dbraw/zinc/23/99/16/1032239916.db2.gz DILKXIIFNFCXSR-INIZCTEOSA-N 1 2 325.474 3.618 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000459523354 1032243535 /nfs/dbraw/zinc/24/35/35/1032243535.db2.gz IXYYWUZDVGQCCP-GTNSWQLSSA-N 1 2 331.485 3.581 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000459523354 1032243546 /nfs/dbraw/zinc/24/35/46/1032243546.db2.gz IXYYWUZDVGQCCP-GTNSWQLSSA-N 1 2 331.485 3.581 20 0 EHADLO O=C(Nc1ccc2nc(C(F)F)sc2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000584368317 1032251915 /nfs/dbraw/zinc/25/19/15/1032251915.db2.gz INVMMWLAAZDXNL-SECBINFHSA-N 1 2 348.378 3.632 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000459548807 1032265801 /nfs/dbraw/zinc/26/58/01/1032265801.db2.gz QXYXJGQANJMXIM-CMPLNLGQSA-N 1 2 339.760 3.780 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000459548807 1032265812 /nfs/dbraw/zinc/26/58/12/1032265812.db2.gz QXYXJGQANJMXIM-CMPLNLGQSA-N 1 2 339.760 3.780 20 0 EHADLO Cn1cc(C[NH+]2CC(Cc3ccccc3Cl)C2)c(C(F)F)n1 ZINC000459560872 1032278584 /nfs/dbraw/zinc/27/85/84/1032278584.db2.gz MHPXMQOSUPTTPL-UHFFFAOYSA-N 1 2 325.790 3.686 20 0 EHADLO Cc1ccncc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528427314 1032282651 /nfs/dbraw/zinc/28/26/51/1032282651.db2.gz WAICNLHXBFIGQF-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccncc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528427314 1032282659 /nfs/dbraw/zinc/28/26/59/1032282659.db2.gz WAICNLHXBFIGQF-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000536802547 1032283458 /nfs/dbraw/zinc/28/34/58/1032283458.db2.gz YWMARSZSIJBVCF-SJLPKXTDSA-N 1 2 329.488 3.905 20 0 EHADLO CCOC(=O)c1cc(C[NH2+]Cc2csc(-c3ccco3)n2)[nH]c1C ZINC000449193082 1032289295 /nfs/dbraw/zinc/28/92/95/1032289295.db2.gz QFKYGDMCYJKMCP-UHFFFAOYSA-N 1 2 345.424 3.506 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc(Cl)c1O ZINC000459567670 1032293615 /nfs/dbraw/zinc/29/36/15/1032293615.db2.gz VGTITQBIKACCMP-RHSMWYFYSA-N 1 2 339.863 3.834 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc(Cl)c1O ZINC000459567670 1032293626 /nfs/dbraw/zinc/29/36/26/1032293626.db2.gz VGTITQBIKACCMP-RHSMWYFYSA-N 1 2 339.863 3.834 20 0 EHADLO CCC[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000459580656 1032304351 /nfs/dbraw/zinc/30/43/51/1032304351.db2.gz PJQJKJJXUHSEEN-KRWDZBQOSA-N 1 2 341.459 3.807 20 0 EHADLO COc1ccnc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000924802202 1032304737 /nfs/dbraw/zinc/30/47/37/1032304737.db2.gz HUOWXJDSJIBAEG-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO CCOC1(C)C[NH+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000459624991 1032335977 /nfs/dbraw/zinc/33/59/77/1032335977.db2.gz SDBQGCBAJXCLCZ-UHFFFAOYSA-N 1 2 332.469 3.641 20 0 EHADLO CCOC(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)OCC ZINC000184988827 1032350934 /nfs/dbraw/zinc/35/09/34/1032350934.db2.gz NRCSPWYBXHKGBA-SFHVURJKSA-N 1 2 334.847 3.813 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185062893 1032360530 /nfs/dbraw/zinc/36/05/30/1032360530.db2.gz KPOUJVXPUXVIMW-SNVBAGLBSA-N 1 2 332.766 3.775 20 0 EHADLO Cn1c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)nc2ccccc21 ZINC000449237884 1032372339 /nfs/dbraw/zinc/37/23/39/1032372339.db2.gz PGYCXZZSIHAMTB-ZDUSSCGKSA-N 1 2 331.341 3.768 20 0 EHADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528482674 1032372593 /nfs/dbraw/zinc/37/25/93/1032372593.db2.gz BARVBJZMRIZCLK-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000185324866 1032394513 /nfs/dbraw/zinc/39/45/13/1032394513.db2.gz HXHOJVHMKNXZME-CYBMUJFWSA-N 1 2 344.409 3.758 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000185324866 1032394524 /nfs/dbraw/zinc/39/45/24/1032394524.db2.gz HXHOJVHMKNXZME-CYBMUJFWSA-N 1 2 344.409 3.758 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2ccnc3c(Br)cccc23)n1 ZINC000449280406 1032398530 /nfs/dbraw/zinc/39/85/30/1032398530.db2.gz XTFYHKDWHISLEG-SECBINFHSA-N 1 2 347.216 3.540 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000729600488 1032415066 /nfs/dbraw/zinc/41/50/66/1032415066.db2.gz RGLOCFCECQFRKX-CQSZACIVSA-N 1 2 332.473 3.704 20 0 EHADLO OC1(C(F)(F)F)CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000396316036 1032424648 /nfs/dbraw/zinc/42/46/48/1032424648.db2.gz CYUAEHPXHJFRIG-UHFFFAOYSA-N 1 2 343.393 3.720 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2OC)C[C@H](C)[S@]1=O ZINC000449317055 1032450319 /nfs/dbraw/zinc/45/03/19/1032450319.db2.gz AJGGBMSVRMJJGV-FPULEUEGSA-N 1 2 331.481 3.580 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)C[C@H](C)[S@]1=O ZINC000449317055 1032450322 /nfs/dbraw/zinc/45/03/22/1032450322.db2.gz AJGGBMSVRMJJGV-FPULEUEGSA-N 1 2 331.481 3.580 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccn(C)n2)cc1Cl ZINC000459739036 1032453295 /nfs/dbraw/zinc/45/32/95/1032453295.db2.gz APFYFWGCLFUUMT-SNVBAGLBSA-N 1 2 342.668 3.995 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C1CCCC1 ZINC000459784827 1032467159 /nfs/dbraw/zinc/46/71/59/1032467159.db2.gz AXRBBALJWKECIQ-NWDGAFQWSA-N 1 2 334.407 3.535 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C1CCCC1 ZINC000459784827 1032467163 /nfs/dbraw/zinc/46/71/63/1032467163.db2.gz AXRBBALJWKECIQ-NWDGAFQWSA-N 1 2 334.407 3.535 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccccc1Br ZINC000135601149 1017283969 /nfs/dbraw/zinc/28/39/69/1017283969.db2.gz GEZBXRSCCGREHI-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1Br ZINC000135601149 1017283975 /nfs/dbraw/zinc/28/39/75/1017283975.db2.gz GEZBXRSCCGREHI-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO Cc1cn2cc(NC(=O)NC3CCC4(CC4(F)F)CC3)ccc2[nH+]1 ZINC000665951477 1032477726 /nfs/dbraw/zinc/47/77/26/1032477726.db2.gz LYMYCUVTKOPGJZ-UHFFFAOYSA-N 1 2 334.370 3.732 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cs1 ZINC000449353195 1032491903 /nfs/dbraw/zinc/49/19/03/1032491903.db2.gz YWFXUGBITMNHSM-QGZVFWFLSA-N 1 2 347.459 3.822 20 0 EHADLO COCCCC1(C[NH2+]c2ccc(N3CCO[C@@H](C)C3)cc2)CCC1 ZINC000892380748 1032495698 /nfs/dbraw/zinc/49/56/98/1032495698.db2.gz PHLQJQSNZOBJLV-KRWDZBQOSA-N 1 2 332.488 3.921 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccccc2N(C)C)sc1Br ZINC000449400302 1032522712 /nfs/dbraw/zinc/52/27/12/1032522712.db2.gz HZJGQPFSVQCUGX-UHFFFAOYSA-N 1 2 340.290 3.570 20 0 EHADLO COc1ccc(CC(=O)Nc2c(C)cc(C)[nH+]c2C)c(Cl)c1OC ZINC000459935249 1032530395 /nfs/dbraw/zinc/53/03/95/1032530395.db2.gz TXQQHRRZXREHKQ-UHFFFAOYSA-N 1 2 348.830 3.859 20 0 EHADLO CC(C)([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(F)c(F)c1 ZINC000537134691 1032531633 /nfs/dbraw/zinc/53/16/33/1032531633.db2.gz AZTQNSDFEUZRCF-UHFFFAOYSA-N 1 2 328.366 3.570 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000449431906 1032549819 /nfs/dbraw/zinc/54/98/19/1032549819.db2.gz ZPMRJGUSOHRUAY-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000449431906 1032549822 /nfs/dbraw/zinc/54/98/22/1032549822.db2.gz ZPMRJGUSOHRUAY-SJLPKXTDSA-N 1 2 337.797 3.779 20 0 EHADLO Fc1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc(F)c1F ZINC000119079980 1032563432 /nfs/dbraw/zinc/56/34/32/1032563432.db2.gz SDPDDOPFMVLMPA-AWEZNQCLSA-N 1 2 325.330 3.878 20 0 EHADLO Fc1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc(F)c1F ZINC000119079980 1032563438 /nfs/dbraw/zinc/56/34/38/1032563438.db2.gz SDPDDOPFMVLMPA-AWEZNQCLSA-N 1 2 325.330 3.878 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)no1 ZINC000537289944 1032595380 /nfs/dbraw/zinc/59/53/80/1032595380.db2.gz MARDSXZDIKLTCC-HNNXBMFYSA-N 1 2 335.423 3.915 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3ncc(C(F)(F)F)cn3)cc2c1C ZINC000449475321 1032597042 /nfs/dbraw/zinc/59/70/42/1032597042.db2.gz XHKCXZCXSDLCLW-UHFFFAOYSA-N 1 2 334.345 3.883 20 0 EHADLO O[C@@]1(C(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000449464901 1032613207 /nfs/dbraw/zinc/61/32/07/1032613207.db2.gz AADDHIWWPQVSDX-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000449464901 1032613216 /nfs/dbraw/zinc/61/32/16/1032613216.db2.gz AADDHIWWPQVSDX-LBPRGKRZSA-N 1 2 329.696 3.561 20 0 EHADLO OC1CCN(c2[nH+]cccc2NCc2ccc(-c3ccccc3)o2)CC1 ZINC000091064645 1032633421 /nfs/dbraw/zinc/63/34/21/1032633421.db2.gz GXUCVYPTVKFPPV-UHFFFAOYSA-N 1 2 349.434 3.915 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602118599 1032646424 /nfs/dbraw/zinc/64/64/24/1032646424.db2.gz UIJGHBLKTCGIFL-JHJVBQTASA-N 1 2 349.422 3.557 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000606374231 1032659272 /nfs/dbraw/zinc/65/92/72/1032659272.db2.gz CIMJJKDGOJEBTM-INIZCTEOSA-N 1 2 325.456 3.756 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121352355 1017107527 /nfs/dbraw/zinc/10/75/27/1017107527.db2.gz RMNGDDBNDCAGAO-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121352355 1017107539 /nfs/dbraw/zinc/10/75/39/1017107539.db2.gz RMNGDDBNDCAGAO-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO Clc1ccccc1-c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000237667702 1017119174 /nfs/dbraw/zinc/11/91/74/1017119174.db2.gz KCJCFDWRCZBZHG-UHFFFAOYSA-N 1 2 338.798 3.933 20 0 EHADLO CCO[C@H]1CCC[N@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000606439253 1032683766 /nfs/dbraw/zinc/68/37/66/1032683766.db2.gz MYAKDCQHYXQIEN-ZDUSSCGKSA-N 1 2 335.473 3.670 20 0 EHADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000606439253 1032683775 /nfs/dbraw/zinc/68/37/75/1032683775.db2.gz MYAKDCQHYXQIEN-ZDUSSCGKSA-N 1 2 335.473 3.670 20 0 EHADLO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2noc(C(C)C)n2)c1 ZINC000547883299 1017186402 /nfs/dbraw/zinc/18/64/02/1017186402.db2.gz RMRIGOCQPRZQBG-SJORKVTESA-N 1 2 329.444 3.981 20 0 EHADLO Fc1ccc(OCc2nc(C[N@@H+]3CCC34CCOCC4)cs2)cc1 ZINC000683526705 1017262625 /nfs/dbraw/zinc/26/26/25/1017262625.db2.gz COKQEXKFZMZXPQ-UHFFFAOYSA-N 1 2 348.443 3.616 20 0 EHADLO Fc1ccc(OCc2nc(C[N@H+]3CCC34CCOCC4)cs2)cc1 ZINC000683526705 1017262635 /nfs/dbraw/zinc/26/26/35/1017262635.db2.gz COKQEXKFZMZXPQ-UHFFFAOYSA-N 1 2 348.443 3.616 20 0 EHADLO CCc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000606449114 1032688691 /nfs/dbraw/zinc/68/86/91/1032688691.db2.gz NTPFELYZHHKGPI-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO CCc1ccc(NC(=O)C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000606449114 1032688707 /nfs/dbraw/zinc/68/87/07/1032688707.db2.gz NTPFELYZHHKGPI-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1C ZINC000332927247 1017273112 /nfs/dbraw/zinc/27/31/12/1017273112.db2.gz UPBKZLKIBUOLPC-IXDOHACOSA-N 1 2 345.487 3.817 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143486452 1017283587 /nfs/dbraw/zinc/28/35/87/1017283587.db2.gz FGVPOCFYIHNSKQ-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143486452 1017283606 /nfs/dbraw/zinc/28/36/06/1017283606.db2.gz FGVPOCFYIHNSKQ-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625278539 1017286320 /nfs/dbraw/zinc/28/63/20/1017286320.db2.gz ZXHOBHSMVWGDLT-RTBURBONSA-N 1 2 337.467 3.974 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000472660402 1017311321 /nfs/dbraw/zinc/31/13/21/1017311321.db2.gz OZXIIIBYDCGVFR-INIZCTEOSA-N 1 2 336.439 3.777 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000472660402 1017311336 /nfs/dbraw/zinc/31/13/36/1017311336.db2.gz OZXIIIBYDCGVFR-INIZCTEOSA-N 1 2 336.439 3.777 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000472660403 1017311389 /nfs/dbraw/zinc/31/13/89/1017311389.db2.gz OZXIIIBYDCGVFR-MRXNPFEDSA-N 1 2 336.439 3.777 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000472660403 1017311401 /nfs/dbraw/zinc/31/14/01/1017311401.db2.gz OZXIIIBYDCGVFR-MRXNPFEDSA-N 1 2 336.439 3.777 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1Oc1ccncc1 ZINC000377097070 1017323392 /nfs/dbraw/zinc/32/33/92/1017323392.db2.gz JGDUAZDAEZLLNF-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606449216 1032691666 /nfs/dbraw/zinc/69/16/66/1032691666.db2.gz QHZUYNKQAFKNRV-QINHECLXSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000606449216 1032691674 /nfs/dbraw/zinc/69/16/74/1032691674.db2.gz QHZUYNKQAFKNRV-QINHECLXSA-N 1 2 344.474 3.926 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450263 1032691873 /nfs/dbraw/zinc/69/18/73/1032691873.db2.gz TYIMNGGQNSASDX-VCBZYWHSSA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606450263 1032691878 /nfs/dbraw/zinc/69/18/78/1032691878.db2.gz TYIMNGGQNSASDX-VCBZYWHSSA-N 1 2 332.463 3.782 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450714 1032693640 /nfs/dbraw/zinc/69/36/40/1032693640.db2.gz OSTJBPRLQRXALT-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000606450714 1032693648 /nfs/dbraw/zinc/69/36/48/1032693648.db2.gz OSTJBPRLQRXALT-CQSZACIVSA-N 1 2 344.405 3.543 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000613644829 1017392087 /nfs/dbraw/zinc/39/20/87/1017392087.db2.gz NYXFIEIDHMUEEQ-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000613644829 1017392100 /nfs/dbraw/zinc/39/21/00/1017392100.db2.gz NYXFIEIDHMUEEQ-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000892795404 1017453656 /nfs/dbraw/zinc/45/36/56/1017453656.db2.gz KOEJIVBOJSVGJO-OAHLLOKOSA-N 1 2 334.851 3.604 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)s1 ZINC000655745012 1017521463 /nfs/dbraw/zinc/52/14/63/1017521463.db2.gz YRLHUJBMIHPWSK-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000929130926 1032707808 /nfs/dbraw/zinc/70/78/08/1032707808.db2.gz GRENUXFILIPBOL-NSHDSACASA-N 1 2 338.274 3.825 20 0 EHADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000929130926 1032707812 /nfs/dbraw/zinc/70/78/12/1032707812.db2.gz GRENUXFILIPBOL-NSHDSACASA-N 1 2 338.274 3.825 20 0 EHADLO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1nn(C)cc1Br)CC2 ZINC000655772255 1017572163 /nfs/dbraw/zinc/57/21/63/1017572163.db2.gz LORMCCIFUAVNIQ-AWEZNQCLSA-N 1 2 334.261 3.577 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nnc(C4CC4)[nH]3)s2)cc1C ZINC000655778532 1017579490 /nfs/dbraw/zinc/57/94/90/1017579490.db2.gz ODBPOQTWOJXVEF-UHFFFAOYSA-N 1 2 339.468 3.712 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655798538 1017634860 /nfs/dbraw/zinc/63/48/60/1017634860.db2.gz XJDSDLIMQNABLY-WMLDXEAASA-N 1 2 344.459 3.686 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C1CCCC1 ZINC000655811642 1017670382 /nfs/dbraw/zinc/67/03/82/1017670382.db2.gz JOXLNRPZCHCAGR-SFHVURJKSA-N 1 2 327.476 3.758 20 0 EHADLO CC(C)c1scnc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000377354911 1017677003 /nfs/dbraw/zinc/67/70/03/1017677003.db2.gz PXSPUTIWSILHKM-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659841401 1017758071 /nfs/dbraw/zinc/75/80/71/1017758071.db2.gz NJQJNKADHITZDS-UHFFFAOYSA-N 1 2 346.377 3.925 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000377434053 1017800891 /nfs/dbraw/zinc/80/08/91/1017800891.db2.gz VOTOIYFRALOLJP-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000377434053 1017800911 /nfs/dbraw/zinc/80/09/11/1017800911.db2.gz VOTOIYFRALOLJP-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO Cn1c[nH+]cc1CN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377493826 1017899472 /nfs/dbraw/zinc/89/94/72/1017899472.db2.gz MJJLXEPPEHAOPN-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cn1cncc1C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377493826 1017899492 /nfs/dbraw/zinc/89/94/92/1017899492.db2.gz MJJLXEPPEHAOPN-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO Cn1cncc1C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377493826 1017899507 /nfs/dbraw/zinc/89/95/07/1017899507.db2.gz MJJLXEPPEHAOPN-UHFFFAOYSA-N 1 2 344.871 3.755 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009767 1018050147 /nfs/dbraw/zinc/05/01/47/1018050147.db2.gz MCUFTAHQGVBNRN-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009767 1018050159 /nfs/dbraw/zinc/05/01/59/1018050159.db2.gz MCUFTAHQGVBNRN-JSGCOSHPSA-N 1 2 348.368 3.920 20 0 EHADLO COCC[N@H+](Cc1cn(C)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858663 1018180626 /nfs/dbraw/zinc/18/06/26/1018180626.db2.gz DIGSLBJBKKVTKE-CYBMUJFWSA-N 1 2 341.377 3.649 20 0 EHADLO COCC[N@@H+](Cc1cn(C)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858663 1018180633 /nfs/dbraw/zinc/18/06/33/1018180633.db2.gz DIGSLBJBKKVTKE-CYBMUJFWSA-N 1 2 341.377 3.649 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccncc1F ZINC000340509610 1018183006 /nfs/dbraw/zinc/18/30/06/1018183006.db2.gz SKPQESFKLLMMIQ-HZMBPMFUSA-N 1 2 344.308 3.504 20 0 EHADLO CC1(C)[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C[C@@H]1Oc1ccccc1 ZINC000340528199 1018221356 /nfs/dbraw/zinc/22/13/56/1018221356.db2.gz MGWWNBCNCISNSV-OALUTQOASA-N 1 2 348.450 3.603 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1F ZINC000625402109 1018222871 /nfs/dbraw/zinc/22/28/71/1018222871.db2.gz FEHHALUFFAYRGQ-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1F ZINC000625402109 1018222887 /nfs/dbraw/zinc/22/28/87/1018222887.db2.gz FEHHALUFFAYRGQ-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1-c1cc(C)cc(C)c1 ZINC000537454443 1032751395 /nfs/dbraw/zinc/75/13/95/1032751395.db2.gz FSYQMKRYYNWECX-UHFFFAOYSA-N 1 2 345.406 3.698 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC)c1Cl ZINC000460656668 1018272171 /nfs/dbraw/zinc/27/21/71/1018272171.db2.gz NXVUYSXWEZYCGH-UHFFFAOYSA-N 1 2 345.830 3.761 20 0 EHADLO Cc1cn2cc(NC(=O)NCCSc3ccc(C)cc3)ccc2[nH+]1 ZINC000606569501 1032753041 /nfs/dbraw/zinc/75/30/41/1032753041.db2.gz AYIOPWACDJKUOF-UHFFFAOYSA-N 1 2 340.452 3.865 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3ccc(F)cc3Cl)ccc2[nH+]1 ZINC000606569327 1032753061 /nfs/dbraw/zinc/75/30/61/1032753061.db2.gz MUNXZZUCXHXRFI-UHFFFAOYSA-N 1 2 346.793 3.799 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000377739975 1018295869 /nfs/dbraw/zinc/29/58/69/1018295869.db2.gz BLHZMKCJQTUQOB-UHFFFAOYSA-N 1 2 348.406 3.606 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3cccc4cccnc43)ccc2[nH+]1 ZINC000606569929 1032755721 /nfs/dbraw/zinc/75/57/21/1032755721.db2.gz HTUSGVLLUYKDOP-UHFFFAOYSA-N 1 2 345.406 3.555 20 0 EHADLO c1nc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)nn1-c1ccccc1 ZINC000340537629 1018323554 /nfs/dbraw/zinc/32/35/54/1018323554.db2.gz VRTFANMSSLUCEG-IBGZPJMESA-N 1 2 343.434 3.916 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377788478 1018372289 /nfs/dbraw/zinc/37/22/89/1018372289.db2.gz WYIVNCDUGDFGGA-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377788478 1018372294 /nfs/dbraw/zinc/37/22/94/1018372294.db2.gz WYIVNCDUGDFGGA-ICSRJNTNSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377787842 1018373711 /nfs/dbraw/zinc/37/37/11/1018373711.db2.gz WYIVNCDUGDFGGA-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377787842 1018373716 /nfs/dbraw/zinc/37/37/16/1018373716.db2.gz WYIVNCDUGDFGGA-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO COc1cc(C)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000548033348 1018417638 /nfs/dbraw/zinc/41/76/38/1018417638.db2.gz JNRQEKMPQLGFGI-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580623 1032765135 /nfs/dbraw/zinc/76/51/35/1032765135.db2.gz WMPNWQVHSCYURO-MRXNPFEDSA-N 1 2 336.395 3.712 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000606581811 1032766737 /nfs/dbraw/zinc/76/67/37/1032766737.db2.gz RAPOUJCZESYQIK-AWEZNQCLSA-N 1 2 334.301 3.759 20 0 EHADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000340562179 1018476886 /nfs/dbraw/zinc/47/68/86/1018476886.db2.gz WFBQAVJKLOSEEL-UHFFFAOYSA-N 1 2 346.377 3.521 20 0 EHADLO Cc1[nH+]ccn1CCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000725882394 1018552475 /nfs/dbraw/zinc/55/24/75/1018552475.db2.gz RXSHPCYKXHUURX-UHFFFAOYSA-N 1 2 339.443 3.784 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCOc3ccc(Cl)cc3)cc2[nH+]1 ZINC000340580752 1018575650 /nfs/dbraw/zinc/57/56/50/1018575650.db2.gz MYIHMLXPPORNQD-UHFFFAOYSA-N 1 2 329.787 3.932 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069972 1018591618 /nfs/dbraw/zinc/59/16/18/1018591618.db2.gz JXHHZIFHQWMXFB-CABCVRRESA-N 1 2 327.428 3.749 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)OC4(CCC4)C3)o2)cc1 ZINC000580069972 1018591629 /nfs/dbraw/zinc/59/16/29/1018591629.db2.gz JXHHZIFHQWMXFB-CABCVRRESA-N 1 2 327.428 3.749 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000683803692 1018639554 /nfs/dbraw/zinc/63/95/54/1018639554.db2.gz YKRJJBURPUXVBG-GOSISDBHSA-N 1 2 348.874 3.798 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000683803692 1018639556 /nfs/dbraw/zinc/63/95/56/1018639556.db2.gz YKRJJBURPUXVBG-GOSISDBHSA-N 1 2 348.874 3.798 20 0 EHADLO CN(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000433444489 1018717357 /nfs/dbraw/zinc/71/73/57/1018717357.db2.gz UDWHSQDKJXHHHA-UHFFFAOYSA-N 1 2 344.503 3.783 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116644248 1032784654 /nfs/dbraw/zinc/78/46/54/1032784654.db2.gz KKZCNOJQQNZSMZ-INIZCTEOSA-N 1 2 330.472 3.674 20 0 EHADLO COc1ccccc1CN(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255165419 1018759717 /nfs/dbraw/zinc/75/97/17/1018759717.db2.gz GVZUYLNQXLLDJC-XFXZXTDPSA-N 1 2 347.418 3.553 20 0 EHADLO COc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052276095 1018779355 /nfs/dbraw/zinc/77/93/55/1018779355.db2.gz MVHPJMPTOPPIPW-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO COc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052276095 1018779365 /nfs/dbraw/zinc/77/93/65/1018779365.db2.gz MVHPJMPTOPPIPW-IBGZPJMESA-N 1 2 347.842 3.801 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419353997 1018784654 /nfs/dbraw/zinc/78/46/54/1018784654.db2.gz CPAJEFJXEDBAKN-HIFRSBDPSA-N 1 2 339.505 3.521 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419353997 1018784660 /nfs/dbraw/zinc/78/46/60/1018784660.db2.gz CPAJEFJXEDBAKN-HIFRSBDPSA-N 1 2 339.505 3.521 20 0 EHADLO Cc1nsc(C)c1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580208970 1018799230 /nfs/dbraw/zinc/79/92/30/1018799230.db2.gz SPLYFLRTJLWUNZ-GOSISDBHSA-N 1 2 344.459 3.854 20 0 EHADLO Cc1nsc(C)c1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580208970 1018799245 /nfs/dbraw/zinc/79/92/45/1018799245.db2.gz SPLYFLRTJLWUNZ-GOSISDBHSA-N 1 2 344.459 3.854 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222683 1018823794 /nfs/dbraw/zinc/82/37/94/1018823794.db2.gz WRCQPVRLUABICF-JQWIXIFHSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222683 1018823818 /nfs/dbraw/zinc/82/38/18/1018823818.db2.gz WRCQPVRLUABICF-JQWIXIFHSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222684 1018825281 /nfs/dbraw/zinc/82/52/81/1018825281.db2.gz WRCQPVRLUABICF-PWSUYJOCSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1CF)c1ccc(Cl)c(Cl)c1 ZINC000580222684 1018825298 /nfs/dbraw/zinc/82/52/98/1018825298.db2.gz WRCQPVRLUABICF-PWSUYJOCSA-N 1 2 333.234 3.605 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000052182762 1018857343 /nfs/dbraw/zinc/85/73/43/1018857343.db2.gz FGOGURXNOXFETC-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000052182762 1018857365 /nfs/dbraw/zinc/85/73/65/1018857365.db2.gz FGOGURXNOXFETC-UHFFFAOYSA-N 1 2 343.398 3.865 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047760187 1018867823 /nfs/dbraw/zinc/86/78/23/1018867823.db2.gz MMYWCMMOXPHJIH-LBPRGKRZSA-N 1 2 336.823 3.536 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccccc1OCC)[C@@H]1CCc2ccccc21 ZINC000047406042 1018884282 /nfs/dbraw/zinc/88/42/82/1018884282.db2.gz MVVYAYAJZQEBLC-HXUWFJFHSA-N 1 2 348.446 3.647 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccccc1OCC)[C@@H]1CCc2ccccc21 ZINC000047406042 1018884298 /nfs/dbraw/zinc/88/42/98/1018884298.db2.gz MVVYAYAJZQEBLC-HXUWFJFHSA-N 1 2 348.446 3.647 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3c3nnc(C(C)C)[nH]3)c2c1C ZINC000645244777 1018962020 /nfs/dbraw/zinc/96/20/20/1018962020.db2.gz LNYXIDXDOUCPDJ-CYBMUJFWSA-N 1 2 339.447 3.548 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766308 1018962396 /nfs/dbraw/zinc/96/23/96/1018962396.db2.gz NDMPUZHVTHMOCI-XYOKQWHBSA-N 1 2 349.887 3.578 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCC34CCCCC4)[nH+]cn2)C1 ZINC000664150273 1018996612 /nfs/dbraw/zinc/99/66/12/1018996612.db2.gz KQSOEGBQOBXHRY-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCC34CCCCC4)nc[nH+]2)C1 ZINC000664150273 1018996625 /nfs/dbraw/zinc/99/66/25/1018996625.db2.gz KQSOEGBQOBXHRY-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)NCc2nc(C[NH+](C)C)cs2)CC(C)(C)C1 ZINC000927770101 1019020618 /nfs/dbraw/zinc/02/06/18/1019020618.db2.gz QLFNQMHPRUNPFB-KGLIPLIRSA-N 1 2 337.533 3.673 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000513111689 1019024969 /nfs/dbraw/zinc/02/49/69/1019024969.db2.gz KGLWNZJVALPOPE-GDNBJRDFSA-N 1 2 338.842 3.917 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642753 1019056656 /nfs/dbraw/zinc/05/66/56/1019056656.db2.gz QGJYVRJNYDQVKQ-LSDHHAIUSA-N 1 2 329.469 3.605 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1OC ZINC000449561943 1032807750 /nfs/dbraw/zinc/80/77/50/1032807750.db2.gz FRCSFUIJRZYWSG-LLVKDONJSA-N 1 2 338.249 3.525 20 0 EHADLO Oc1cccnc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000580342319 1019105025 /nfs/dbraw/zinc/10/50/25/1019105025.db2.gz YATLJGJOXOLOKB-GOSISDBHSA-N 1 2 334.423 3.905 20 0 EHADLO Oc1cccnc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000580342319 1019105037 /nfs/dbraw/zinc/10/50/37/1019105037.db2.gz YATLJGJOXOLOKB-GOSISDBHSA-N 1 2 334.423 3.905 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](CCO)Cc1cccnc1 ZINC000155693517 1019116176 /nfs/dbraw/zinc/11/61/76/1019116176.db2.gz FTCYEIKNMBNZDV-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](CCO)Cc1cccnc1 ZINC000155693517 1019116181 /nfs/dbraw/zinc/11/61/81/1019116181.db2.gz FTCYEIKNMBNZDV-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO COC(=O)C(C)(C)[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000513150677 1019122092 /nfs/dbraw/zinc/12/20/92/1019122092.db2.gz RLASLHUAAHYVLO-UHFFFAOYSA-N 1 2 344.238 3.653 20 0 EHADLO COC(=O)C(C)(C)[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000513150677 1019122102 /nfs/dbraw/zinc/12/21/02/1019122102.db2.gz RLASLHUAAHYVLO-UHFFFAOYSA-N 1 2 344.238 3.653 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cs1 ZINC000340659972 1019131542 /nfs/dbraw/zinc/13/15/42/1019131542.db2.gz GAHGETHJKTVNDQ-ZDUSSCGKSA-N 1 2 335.904 3.984 20 0 EHADLO COCCC1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000877650741 1019163986 /nfs/dbraw/zinc/16/39/86/1019163986.db2.gz UIVJHODNRRLERA-UHFFFAOYSA-N 1 2 347.684 3.746 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1C ZINC000729050774 1019168617 /nfs/dbraw/zinc/16/86/17/1019168617.db2.gz KLKFIHLPZLTLSF-HOTGVXAUSA-N 1 2 333.476 3.721 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606692349 1032813499 /nfs/dbraw/zinc/81/34/99/1032813499.db2.gz QHPDQWJXQJXITI-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1ncoc1C ZINC000092689644 1032814188 /nfs/dbraw/zinc/81/41/88/1032814188.db2.gz IZFIPKRGJUFWNJ-UHFFFAOYSA-N 1 2 325.368 3.628 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2nccn21 ZINC000449573215 1032832767 /nfs/dbraw/zinc/83/27/67/1032832767.db2.gz PUTLHYVUFIKHKW-WBMJQRKESA-N 1 2 327.819 3.518 20 0 EHADLO COc1sc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1Br ZINC000449575695 1032834043 /nfs/dbraw/zinc/83/40/43/1032834043.db2.gz YQDTZBTVLZAMBZ-GZMMTYOYSA-N 1 2 342.262 3.511 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000047931427 1019500220 /nfs/dbraw/zinc/50/02/20/1019500220.db2.gz LCOCYTVRLFGMLJ-CYBMUJFWSA-N 1 2 337.448 3.529 20 0 EHADLO COC(=O)c1ncc(Nc2ccc(Oc3cc[nH+]c(C)c3)cc2)cn1 ZINC001211159354 1019560591 /nfs/dbraw/zinc/56/05/91/1019560591.db2.gz GNSXMBITJRECMC-UHFFFAOYSA-N 1 2 336.351 3.503 20 0 EHADLO Fc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OC(F)F ZINC000580543103 1019596394 /nfs/dbraw/zinc/59/63/94/1019596394.db2.gz MUIKZPRRDMZOPF-NVXWUHKLSA-N 1 2 327.346 3.571 20 0 EHADLO Fc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OC(F)F ZINC000580543103 1019596420 /nfs/dbraw/zinc/59/64/20/1019596420.db2.gz MUIKZPRRDMZOPF-NVXWUHKLSA-N 1 2 327.346 3.571 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000656249962 1019610925 /nfs/dbraw/zinc/61/09/25/1019610925.db2.gz CZGPIGDNTZOOLU-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000656249962 1019610936 /nfs/dbraw/zinc/61/09/36/1019610936.db2.gz CZGPIGDNTZOOLU-KRWDZBQOSA-N 1 2 335.455 3.592 20 0 EHADLO C[C@@H]1C[C@H](Nc2cc[nH+]c3c(Br)cccc23)c2ncnn21 ZINC000664188295 1019705892 /nfs/dbraw/zinc/70/58/92/1019705892.db2.gz UIKNHVKTMDFNQD-RNCFNFMXSA-N 1 2 344.216 3.707 20 0 EHADLO CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664198691 1019734496 /nfs/dbraw/zinc/73/44/96/1019734496.db2.gz GOADJUYBQMXIRU-PBFPGSCMSA-N 1 2 334.847 3.866 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+](C)C[C@@H](O)C(F)(F)F)s2)cc1C ZINC000656261221 1019751384 /nfs/dbraw/zinc/75/13/84/1019751384.db2.gz GGYPPUIMHKPDMC-CQSZACIVSA-N 1 2 344.402 3.782 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)s2)cc1C ZINC000656261221 1019751400 /nfs/dbraw/zinc/75/14/00/1019751400.db2.gz GGYPPUIMHKPDMC-CQSZACIVSA-N 1 2 344.402 3.782 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CC3CCC1CC3)C2 ZINC000580650956 1019794748 /nfs/dbraw/zinc/79/47/48/1019794748.db2.gz VAADCHJUQBNNKY-CKUJCDMFSA-N 1 2 329.488 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CC3CCC1CC3)CC2 ZINC000580650956 1019794766 /nfs/dbraw/zinc/79/47/66/1019794766.db2.gz VAADCHJUQBNNKY-CKUJCDMFSA-N 1 2 329.488 3.581 20 0 EHADLO CCc1csc(CC2CC[NH+](Cc3cn(C(C)(C)C)nn3)CC2)n1 ZINC000656270425 1019840547 /nfs/dbraw/zinc/84/05/47/1019840547.db2.gz DCAAHAZZHPOYAO-UHFFFAOYSA-N 1 2 347.532 3.507 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1C1CCCCC1)C2 ZINC000656274963 1019877343 /nfs/dbraw/zinc/87/73/43/1019877343.db2.gz HRIQKTYYEDHQJS-UHFFFAOYSA-N 1 2 325.456 3.992 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1C1CCCCC1)C2 ZINC000656274963 1019877359 /nfs/dbraw/zinc/87/73/59/1019877359.db2.gz HRIQKTYYEDHQJS-UHFFFAOYSA-N 1 2 325.456 3.992 20 0 EHADLO COc1ccc(OC)c(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923773172 1019925234 /nfs/dbraw/zinc/92/52/34/1019925234.db2.gz FPAMJFQFZXTNQP-OAHLLOKOSA-N 1 2 342.399 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCSc2ccc(F)cc2)c1C ZINC000050449766 1019934610 /nfs/dbraw/zinc/93/46/10/1019934610.db2.gz NYXINHWTEOCVKQ-UHFFFAOYSA-N 1 2 348.443 3.645 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1cncc(OC3CCCCC3)n1)CCC2 ZINC000345180733 1020030833 /nfs/dbraw/zinc/03/08/33/1020030833.db2.gz MWVSNHNYQQAIDO-OAHLLOKOSA-N 1 2 341.459 3.683 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CCS[C@H](C)[C@@H]3C)o2)cc1C ZINC000345220785 1020046576 /nfs/dbraw/zinc/04/65/76/1020046576.db2.gz ARNOZIGBZDLAON-NWDGAFQWSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CCS[C@H](C)[C@@H]3C)o2)cc1C ZINC000345220785 1020046588 /nfs/dbraw/zinc/04/65/88/1020046588.db2.gz ARNOZIGBZDLAON-NWDGAFQWSA-N 1 2 337.514 3.995 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000280087842 1020048459 /nfs/dbraw/zinc/04/84/59/1020048459.db2.gz RVJMWCQBMFPLSH-FUHWJXTLSA-N 1 2 345.464 3.501 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000280087842 1020048469 /nfs/dbraw/zinc/04/84/69/1020048469.db2.gz RVJMWCQBMFPLSH-FUHWJXTLSA-N 1 2 345.464 3.501 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncccc2F)c(C)c1 ZINC000528826065 1032870905 /nfs/dbraw/zinc/87/09/05/1032870905.db2.gz UFGFOYYSXYIWLG-GJZGRUSLSA-N 1 2 329.419 3.824 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000175963575 1020114032 /nfs/dbraw/zinc/11/40/32/1020114032.db2.gz XIUYNYBIZMRYGM-MRXNPFEDSA-N 1 2 346.434 3.529 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccco1 ZINC000023828396 1020128447 /nfs/dbraw/zinc/12/84/47/1020128447.db2.gz WPFKLZZUTUNHRF-INIZCTEOSA-N 1 2 341.455 3.729 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccco1 ZINC000023828396 1020128463 /nfs/dbraw/zinc/12/84/63/1020128463.db2.gz WPFKLZZUTUNHRF-INIZCTEOSA-N 1 2 341.455 3.729 20 0 EHADLO Cc1nc(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc[nH+]1 ZINC000280169971 1020149887 /nfs/dbraw/zinc/14/98/87/1020149887.db2.gz HDMFVXHDDDZPSO-LBPRGKRZSA-N 1 2 331.725 3.603 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1Cl ZINC000042328667 1020257626 /nfs/dbraw/zinc/25/76/26/1020257626.db2.gz XVHVTGCFEKEQBL-ZDUSSCGKSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1Cl ZINC000042328667 1020257635 /nfs/dbraw/zinc/25/76/35/1020257635.db2.gz XVHVTGCFEKEQBL-ZDUSSCGKSA-N 1 2 348.899 3.807 20 0 EHADLO CC1(C)CCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345444547 1020257923 /nfs/dbraw/zinc/25/79/23/1020257923.db2.gz INUMEVJTWKSSJC-KRWDZBQOSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)(C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434094041 1020266278 /nfs/dbraw/zinc/26/62/78/1020266278.db2.gz RYOCPRAWJLFCRX-UHFFFAOYSA-N 1 2 332.492 3.545 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093240242 1032889260 /nfs/dbraw/zinc/88/92/60/1032889260.db2.gz HMOOADBORMZYDB-CQSZACIVSA-N 1 2 341.484 3.868 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093240242 1032889276 /nfs/dbraw/zinc/88/92/76/1032889276.db2.gz HMOOADBORMZYDB-CQSZACIVSA-N 1 2 341.484 3.868 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(F)c4ccccc34)n2)C1 ZINC000280302978 1020295864 /nfs/dbraw/zinc/29/58/64/1020295864.db2.gz NRKMSFOBIGPCRH-QGZVFWFLSA-N 1 2 341.386 3.811 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(F)c4ccccc34)n2)C1 ZINC000280302978 1020295872 /nfs/dbraw/zinc/29/58/72/1020295872.db2.gz NRKMSFOBIGPCRH-QGZVFWFLSA-N 1 2 341.386 3.811 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000280305436 1020298108 /nfs/dbraw/zinc/29/81/08/1020298108.db2.gz BMULDGQQUNPAPB-UHFFFAOYSA-N 1 2 333.435 3.697 20 0 EHADLO CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000280373503 1020331534 /nfs/dbraw/zinc/33/15/34/1020331534.db2.gz YJFGAXQFSIUSHX-HZPDHXFCSA-N 1 2 327.428 3.919 20 0 EHADLO CCCc1cnc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000345539573 1020335313 /nfs/dbraw/zinc/33/53/13/1020335313.db2.gz BSLDPDCQASHVHJ-UHFFFAOYSA-N 1 2 341.440 3.603 20 0 EHADLO C[C@H](c1cccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000345593722 1020381120 /nfs/dbraw/zinc/38/11/20/1020381120.db2.gz HMTJEXBAFBJDKJ-BRWVUGGUSA-N 1 2 330.472 3.845 20 0 EHADLO O=S(=O)(c1c(Cl)ccc2ccccc21)N1CCc2c[nH+]ccc21 ZINC000340843130 1020399715 /nfs/dbraw/zinc/39/97/15/1020399715.db2.gz HUOMJZSYYZGEOS-UHFFFAOYSA-N 1 2 344.823 3.640 20 0 EHADLO CSc1ccc(F)cc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000340846385 1020402325 /nfs/dbraw/zinc/40/23/25/1020402325.db2.gz DOOCLVGUJRSHQT-SFHVURJKSA-N 1 2 344.455 3.657 20 0 EHADLO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001204551046 1020417219 /nfs/dbraw/zinc/41/72/19/1020417219.db2.gz ZURKLVBQJBXESC-AWEZNQCLSA-N 1 2 337.489 3.507 20 0 EHADLO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001204551046 1020417222 /nfs/dbraw/zinc/41/72/22/1020417222.db2.gz ZURKLVBQJBXESC-AWEZNQCLSA-N 1 2 337.489 3.507 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145770 1020428889 /nfs/dbraw/zinc/42/88/89/1020428889.db2.gz SKUMLZDSLXELAX-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)O2 ZINC000684145770 1020428898 /nfs/dbraw/zinc/42/88/98/1020428898.db2.gz SKUMLZDSLXELAX-WQGACYEGSA-N 1 2 330.255 3.762 20 0 EHADLO Cc1cn2cc(NS(=O)(=O)c3ccccc3C(C)C)ccc2[nH+]1 ZINC000345691255 1020455715 /nfs/dbraw/zinc/45/57/15/1020455715.db2.gz KQLDHZMRTAVWPP-UHFFFAOYSA-N 1 2 329.425 3.567 20 0 EHADLO COCc1cnc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000345705807 1020461486 /nfs/dbraw/zinc/46/14/86/1020461486.db2.gz LCFYUMXHDYIVPR-CQSZACIVSA-N 1 2 338.860 3.946 20 0 EHADLO COCc1cnc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)s1 ZINC000345708177 1020462144 /nfs/dbraw/zinc/46/21/44/1020462144.db2.gz NVNUWZUHGFKETK-AWEZNQCLSA-N 1 2 338.860 3.946 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141543 1020471474 /nfs/dbraw/zinc/47/14/74/1020471474.db2.gz YTDXXESBNNGQIK-NEPJUHHUSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000581141543 1020471476 /nfs/dbraw/zinc/47/14/76/1020471476.db2.gz YTDXXESBNNGQIK-NEPJUHHUSA-N 1 2 339.361 3.827 20 0 EHADLO C[C@H](CC(=O)N1CCC(c2c(F)cccc2F)CC1)n1cc[nH+]c1 ZINC000581195554 1020512867 /nfs/dbraw/zinc/51/28/67/1020512867.db2.gz PHLJXBRNZSTWPB-CYBMUJFWSA-N 1 2 333.382 3.519 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000345803028 1020515609 /nfs/dbraw/zinc/51/56/09/1020515609.db2.gz XOGZLQPTOXPHMR-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO CC(C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000345860788 1020563620 /nfs/dbraw/zinc/56/36/20/1020563620.db2.gz HTUOSZRRCBSVGP-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)on1 ZINC000602482151 1032911052 /nfs/dbraw/zinc/91/10/52/1032911052.db2.gz GLSKWCXTSGIWAY-NSHDSACASA-N 1 2 337.445 3.543 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)on1 ZINC000602482151 1032911063 /nfs/dbraw/zinc/91/10/63/1032911063.db2.gz GLSKWCXTSGIWAY-NSHDSACASA-N 1 2 337.445 3.543 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)on1 ZINC000602482135 1032911452 /nfs/dbraw/zinc/91/14/52/1032911452.db2.gz GLSKWCXTSGIWAY-LLVKDONJSA-N 1 2 337.445 3.543 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)on1 ZINC000602482135 1032911459 /nfs/dbraw/zinc/91/14/59/1032911459.db2.gz GLSKWCXTSGIWAY-LLVKDONJSA-N 1 2 337.445 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CCSc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000345952447 1020626777 /nfs/dbraw/zinc/62/67/77/1020626777.db2.gz LOAIZYWOAKKZRE-PVAVHDDUSA-N 1 2 341.480 3.572 20 0 EHADLO Fc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCCCC3(F)F)nn2)cc1 ZINC000656462222 1020629107 /nfs/dbraw/zinc/62/91/07/1020629107.db2.gz AOTUUKSGCRFGGO-AWEZNQCLSA-N 1 2 338.377 3.533 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)cs1 ZINC000419406398 1020638763 /nfs/dbraw/zinc/63/87/63/1020638763.db2.gz WSOBESXJKHHYEV-GDBMZVCRSA-N 1 2 347.484 3.597 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)cs1 ZINC000419406398 1020638768 /nfs/dbraw/zinc/63/87/68/1020638768.db2.gz WSOBESXJKHHYEV-GDBMZVCRSA-N 1 2 347.484 3.597 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4C[C@H]4C)c3)cc2[nH+]1 ZINC000340976921 1020734471 /nfs/dbraw/zinc/73/44/71/1020734471.db2.gz SDOFFPUWCJICEM-BDJLRTHQSA-N 1 2 348.406 3.718 20 0 EHADLO O=C(Nc1cccc(F)c1F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340980599 1020746069 /nfs/dbraw/zinc/74/60/69/1020746069.db2.gz ANWKUDYYMXSCDI-UHFFFAOYSA-N 1 2 348.397 3.886 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c(OC)c1 ZINC000069748845 1020799697 /nfs/dbraw/zinc/79/96/97/1020799697.db2.gz ADRXGXUAFUSUPJ-IUODEOHRSA-N 1 2 331.412 3.719 20 0 EHADLO Cc1cnc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)n1C ZINC000341006117 1020831297 /nfs/dbraw/zinc/83/12/97/1020831297.db2.gz JWLLZCRFMIEWJN-GOSISDBHSA-N 1 2 339.414 3.778 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cccc(Cl)c1 ZINC000341006741 1020835274 /nfs/dbraw/zinc/83/52/74/1020835274.db2.gz ZHKDZNBNYMNZNG-KRWDZBQOSA-N 1 2 339.826 3.902 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC2(CCCCC2)CC1 ZINC000276181016 1020850380 /nfs/dbraw/zinc/85/03/80/1020850380.db2.gz HIEYWYRJUNBPEX-UHFFFAOYSA-N 1 2 338.455 3.844 20 0 EHADLO CCC[C@H]1CC(=O)N(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC000760403093 1032935050 /nfs/dbraw/zinc/93/50/50/1032935050.db2.gz WPCKZZLMHRQJMZ-IBGZPJMESA-N 1 2 342.483 3.781 20 0 EHADLO Cc1cc2c(s1)N(c1ncc(N)cc1F)c1ccccc1NC2=[NH2+] ZINC001167460704 1020882683 /nfs/dbraw/zinc/88/26/83/1020882683.db2.gz SXOPJBRCFNNQLY-UHFFFAOYSA-N 1 2 339.399 3.993 20 0 EHADLO Cc1cc2c(s1)N(c1ccn(C)c(=O)c1)c1ccccc1NC2=[NH2+] ZINC001167463161 1020918185 /nfs/dbraw/zinc/91/81/85/1020918185.db2.gz COQLXFNQZABLKU-UHFFFAOYSA-N 1 2 336.420 3.575 20 0 EHADLO COc1cnc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)cn1 ZINC001167463402 1020919581 /nfs/dbraw/zinc/91/95/81/1020919581.db2.gz OLIDDXJVRYBKTE-UHFFFAOYSA-N 1 2 337.408 3.675 20 0 EHADLO Cn1nccc1C1=CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000348667637 1020975812 /nfs/dbraw/zinc/97/58/12/1020975812.db2.gz DHEBACCBJSOURQ-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO Cn1nccc1C1=CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000348667637 1020975819 /nfs/dbraw/zinc/97/58/19/1020975819.db2.gz DHEBACCBJSOURQ-UHFFFAOYSA-N 1 2 339.336 3.867 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000276298037 1021001875 /nfs/dbraw/zinc/00/18/75/1021001875.db2.gz VEWVYFYPDQGQPO-AWEZNQCLSA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000276298037 1021001883 /nfs/dbraw/zinc/00/18/83/1021001883.db2.gz VEWVYFYPDQGQPO-AWEZNQCLSA-N 1 2 344.377 3.687 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)n1C ZINC000341144565 1021012246 /nfs/dbraw/zinc/01/22/46/1021012246.db2.gz KBFIKLFGEOAMQK-UHFFFAOYSA-N 1 2 344.434 3.999 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC3(C1)CCCCC3)C2 ZINC000476139435 1032948444 /nfs/dbraw/zinc/94/84/44/1032948444.db2.gz IQAOZBCPGXFNGL-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC3(C1)CCCCC3)CC2 ZINC000476139435 1032948450 /nfs/dbraw/zinc/94/84/50/1032948450.db2.gz IQAOZBCPGXFNGL-OAHLLOKOSA-N 1 2 329.488 3.821 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000341192238 1021071674 /nfs/dbraw/zinc/07/16/74/1021071674.db2.gz ZUYMYMWMUFYSIS-HOTGVXAUSA-N 1 2 326.444 3.592 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001125515848 1021094276 /nfs/dbraw/zinc/09/42/76/1021094276.db2.gz QOTJJZPYOTZINZ-PMACEKPBSA-N 1 2 349.409 3.821 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc1 ZINC000341209635 1021103124 /nfs/dbraw/zinc/10/31/24/1021103124.db2.gz MLBKJRMTVXKWDU-MRXNPFEDSA-N 1 2 346.434 3.888 20 0 EHADLO Cn1ncc(Cl)c1C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000656656104 1021106060 /nfs/dbraw/zinc/10/60/60/1021106060.db2.gz OFTGAMVTEKBSTF-UHFFFAOYSA-N 1 2 343.780 3.767 20 0 EHADLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000341214858 1021111719 /nfs/dbraw/zinc/11/17/19/1021111719.db2.gz UJVOMTWKDNLLOD-SECBINFHSA-N 1 2 347.362 3.686 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC001137565622 1021129412 /nfs/dbraw/zinc/12/94/12/1021129412.db2.gz WWVUPUDKCFIFKL-GAJTVXKRSA-N 1 2 330.653 3.569 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC001137565622 1021129414 /nfs/dbraw/zinc/12/94/14/1021129414.db2.gz WWVUPUDKCFIFKL-GAJTVXKRSA-N 1 2 330.653 3.569 20 0 EHADLO CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276383529 1021135685 /nfs/dbraw/zinc/13/56/85/1021135685.db2.gz SWNRXDLCLWOSND-AWEZNQCLSA-N 1 2 337.345 3.675 20 0 EHADLO CC1(C)C[C@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000656675338 1021152245 /nfs/dbraw/zinc/15/22/45/1021152245.db2.gz CREFZHVZDSPNJF-ROUUACIJSA-N 1 2 349.434 3.983 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000656681652 1021163074 /nfs/dbraw/zinc/16/30/74/1021163074.db2.gz JEURUYWVSOCKLJ-VHSXEESVSA-N 1 2 343.374 3.840 20 0 EHADLO c1nc(-c2ccccn2)sc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000516231980 1021219731 /nfs/dbraw/zinc/21/97/31/1021219731.db2.gz LFPUEVGBONZSIX-UHFFFAOYSA-N 1 2 337.452 3.812 20 0 EHADLO Cc1nc(NC(=O)C[NH+]2CCCC2)sc1Cc1ccccc1F ZINC000051126636 1021224723 /nfs/dbraw/zinc/22/47/23/1021224723.db2.gz AOSPYVYISAJVAR-UHFFFAOYSA-N 1 2 333.432 3.865 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581637462 1021228585 /nfs/dbraw/zinc/22/85/85/1021228585.db2.gz XREPCKANJVAAMU-UKRRQHHQSA-N 1 2 338.386 3.883 20 0 EHADLO Cc1ccsc1[C@@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000230950156 1032967047 /nfs/dbraw/zinc/96/70/47/1032967047.db2.gz CCOVRJTUKOMYDV-LLVKDONJSA-N 1 2 334.432 3.867 20 0 EHADLO Cc1ccc(-c2nnc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)o2)cc1 ZINC000341269223 1021248279 /nfs/dbraw/zinc/24/82/79/1021248279.db2.gz CBOTWIDKUAVHIB-ZDUSSCGKSA-N 1 2 337.379 3.625 20 0 EHADLO O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366652370 1021253368 /nfs/dbraw/zinc/25/33/68/1021253368.db2.gz KPLOXFUAFWPNQF-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO Cc1cc(O[C@@H](C)C(=O)NCCCCn2cc[nH+]c2)ccc1C(C)C ZINC000518509990 1021261070 /nfs/dbraw/zinc/26/10/70/1021261070.db2.gz FHQOVYDOLMJTGE-KRWDZBQOSA-N 1 2 343.471 3.679 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000090401033 1021264150 /nfs/dbraw/zinc/26/41/50/1021264150.db2.gz BZSZGCJNNZIXFB-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO Cc1c[nH+]c(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1C ZINC000341277955 1021273852 /nfs/dbraw/zinc/27/38/52/1021273852.db2.gz IQPYCSQCPYOFPA-GOSISDBHSA-N 1 2 326.831 3.656 20 0 EHADLO Cc1ccn2c(C=C(Cc3ccccc3)c3nccc(=O)[nH]3)c[nH+]c2c1 ZINC000427286618 1021294423 /nfs/dbraw/zinc/29/44/23/1021294423.db2.gz GTRWROPOCNFQMU-GHRIWEEISA-N 1 2 342.402 3.922 20 0 EHADLO C[C@@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000607038806 1032970237 /nfs/dbraw/zinc/97/02/37/1032970237.db2.gz PKIGMZUZSRBOBV-RYUDHWBXSA-N 1 2 340.254 3.746 20 0 EHADLO C[NH+](C)[C@H](c1nc(-c2ccc(O)c(F)c2)no1)c1cccc(Cl)c1 ZINC000436877281 1021322684 /nfs/dbraw/zinc/32/26/84/1021322684.db2.gz FRQXOAIKZXKLIW-HNNXBMFYSA-N 1 2 347.777 3.886 20 0 EHADLO CCc1nocc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507534229 1021323643 /nfs/dbraw/zinc/32/36/43/1021323643.db2.gz POAJSXPFCCZJGX-HOTGVXAUSA-N 1 2 341.238 3.634 20 0 EHADLO CCc1nocc1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507534229 1021323659 /nfs/dbraw/zinc/32/36/59/1021323659.db2.gz POAJSXPFCCZJGX-HOTGVXAUSA-N 1 2 341.238 3.634 20 0 EHADLO CCOc1c(OC)cc(CNc2c[nH+]cc3c2CCCC3)cc1OC ZINC000656776450 1021326039 /nfs/dbraw/zinc/32/60/39/1021326039.db2.gz NWHIRPPQWWQMPD-UHFFFAOYSA-N 1 2 342.439 3.988 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000505895804 1021345920 /nfs/dbraw/zinc/34/59/20/1021345920.db2.gz ZMVALAPTIXXCRC-RHQZKXFESA-N 1 2 341.499 3.629 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000342668160 1021350637 /nfs/dbraw/zinc/35/06/37/1021350637.db2.gz WYBNOUYBGZGDLH-KRWDZBQOSA-N 1 2 329.444 3.500 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000342668160 1021350656 /nfs/dbraw/zinc/35/06/56/1021350656.db2.gz WYBNOUYBGZGDLH-KRWDZBQOSA-N 1 2 329.444 3.500 20 0 EHADLO Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(O)c1 ZINC000436899122 1021363273 /nfs/dbraw/zinc/36/32/73/1021363273.db2.gz BJUJVHASRKHONH-UHFFFAOYSA-N 1 2 332.363 3.662 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000341294291 1021367104 /nfs/dbraw/zinc/36/71/04/1021367104.db2.gz RRLXQLGFGFYQRZ-NWDGAFQWSA-N 1 2 346.377 3.845 20 0 EHADLO O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366655848 1021367662 /nfs/dbraw/zinc/36/76/62/1021367662.db2.gz RGZFLCDEYITSGJ-GFCCVEGCSA-N 1 2 338.436 3.571 20 0 EHADLO Cc1c[nH+]c(CNc2cc(Br)ccc2N2CCCC2)n1C ZINC000341296797 1021372110 /nfs/dbraw/zinc/37/21/10/1021372110.db2.gz ZWOUDTXJVNZEBF-UHFFFAOYSA-N 1 2 349.276 3.703 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)cc2[nH+]1 ZINC000341295582 1021372182 /nfs/dbraw/zinc/37/21/82/1021372182.db2.gz XXUBYGSULFCFND-VXGBXAGGSA-N 1 2 327.334 3.892 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@H+](C)CCCSC ZINC000439469844 1021462260 /nfs/dbraw/zinc/46/22/60/1021462260.db2.gz OAHDZUBHOIPIJC-ZDUSSCGKSA-N 1 2 335.391 3.604 20 0 EHADLO COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@@H+](C)CCCSC ZINC000439469844 1021462264 /nfs/dbraw/zinc/46/22/64/1021462264.db2.gz OAHDZUBHOIPIJC-ZDUSSCGKSA-N 1 2 335.391 3.604 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C2 ZINC000729477028 1021478065 /nfs/dbraw/zinc/47/80/65/1021478065.db2.gz AFCFWJGONIVCAQ-UHFFFAOYSA-N 1 2 348.899 3.727 20 0 EHADLO Cc1cccc2c1CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C2 ZINC000729477028 1021478074 /nfs/dbraw/zinc/47/80/74/1021478074.db2.gz AFCFWJGONIVCAQ-UHFFFAOYSA-N 1 2 348.899 3.727 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000439525590 1021512366 /nfs/dbraw/zinc/51/23/66/1021512366.db2.gz ZBIMDYUWOIZZEW-RYRKJORJSA-N 1 2 345.487 3.638 20 0 EHADLO Cc1ccc2ncc(C[NH2+][C@@H](COCC(C)C)c3ccco3)n2c1 ZINC000156354774 1021518025 /nfs/dbraw/zinc/51/80/25/1021518025.db2.gz UGVDUHWLQGJVRW-KRWDZBQOSA-N 1 2 327.428 3.739 20 0 EHADLO FC(F)c1nnc2n1CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)C2 ZINC000581693447 1021532245 /nfs/dbraw/zinc/53/22/45/1021532245.db2.gz XZSONNYCQXEDID-UHFFFAOYSA-N 1 2 347.196 3.581 20 0 EHADLO FC(F)c1nnc2n1CC[N@H+](CCc1cc(Cl)cc(Cl)c1)C2 ZINC000581693447 1021532256 /nfs/dbraw/zinc/53/22/56/1021532256.db2.gz XZSONNYCQXEDID-UHFFFAOYSA-N 1 2 347.196 3.581 20 0 EHADLO CO[C@@H]1CCC[C@H]([NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000684391728 1021548720 /nfs/dbraw/zinc/54/87/20/1021548720.db2.gz HUECNGFQZZJLOH-ARFHVFGLSA-N 1 2 335.835 3.668 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccccc1C(F)F ZINC000425719127 1021552846 /nfs/dbraw/zinc/55/28/46/1021552846.db2.gz VXLOCTOKNKXGKG-UHFFFAOYSA-N 1 2 334.370 3.521 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000437116872 1021572658 /nfs/dbraw/zinc/57/26/58/1021572658.db2.gz MXQMQTMBAGBWHB-UHFFFAOYSA-N 1 2 336.464 3.864 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000437116872 1021572673 /nfs/dbraw/zinc/57/26/73/1021572673.db2.gz MXQMQTMBAGBWHB-UHFFFAOYSA-N 1 2 336.464 3.864 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2cccc(Cl)c2s1 ZINC000519641689 1021591573 /nfs/dbraw/zinc/59/15/73/1021591573.db2.gz BDABMQQCFQFZRU-UHFFFAOYSA-N 1 2 333.844 3.961 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518841111 1021619516 /nfs/dbraw/zinc/61/95/16/1021619516.db2.gz ILUUIINNTHARBM-MNOVXSKESA-N 1 2 346.805 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518841111 1021619521 /nfs/dbraw/zinc/61/95/21/1021619521.db2.gz ILUUIINNTHARBM-MNOVXSKESA-N 1 2 346.805 3.653 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c(C)c1 ZINC000528878301 1032995978 /nfs/dbraw/zinc/99/59/78/1032995978.db2.gz DOGYFYYWEHRUEV-XFWGSAIBSA-N 1 2 337.467 3.650 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c(C)[nH+]1 ZINC001126452447 1021633296 /nfs/dbraw/zinc/63/32/96/1021633296.db2.gz RIWYZTGVKZHLIF-ZDUSSCGKSA-N 1 2 332.831 3.858 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c(C)[nH+]1 ZINC001126452446 1021633705 /nfs/dbraw/zinc/63/37/05/1021633705.db2.gz RIWYZTGVKZHLIF-CYBMUJFWSA-N 1 2 332.831 3.858 20 0 EHADLO CCCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1ccc(F)cc1 ZINC000341383833 1021641268 /nfs/dbraw/zinc/64/12/68/1021641268.db2.gz NIFYSSKWFJGRMH-UHFFFAOYSA-N 1 2 327.407 3.618 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc1 ZINC000581735501 1021654044 /nfs/dbraw/zinc/65/40/44/1021654044.db2.gz SCMMRYYGOBFRJZ-OAHLLOKOSA-N 1 2 335.860 3.698 20 0 EHADLO Cc1cc(CNC(=O)NC2(C(F)(F)F)CCCCC2)cc(C)[nH+]1 ZINC000933422772 1021713266 /nfs/dbraw/zinc/71/32/66/1021713266.db2.gz IXTDLBJGEZKOQS-UHFFFAOYSA-N 1 2 329.366 3.763 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2nc(C)c3ccccc3n2)o1 ZINC000647178402 1021716892 /nfs/dbraw/zinc/71/68/92/1021716892.db2.gz QXVHBVHYYNQCSI-UHFFFAOYSA-N 1 2 347.422 3.530 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H](C)CC3(C)C)cn2c1 ZINC000471714205 1021814984 /nfs/dbraw/zinc/81/49/84/1021814984.db2.gz PGISXURKNKKDIW-AWEZNQCLSA-N 1 2 331.485 3.523 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2sccc2C1 ZINC000341424603 1021838870 /nfs/dbraw/zinc/83/88/70/1021838870.db2.gz ZIEWFDCQGHQDGK-MRXNPFEDSA-N 1 2 337.448 3.578 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000581827659 1021839309 /nfs/dbraw/zinc/83/93/09/1021839309.db2.gz ZCDYDFTTWNJNOC-HUUCEWRRSA-N 1 2 333.476 3.636 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2(c3ccccc3)CCOCC2)c(C)[nH+]1 ZINC000516910119 1021845215 /nfs/dbraw/zinc/84/52/15/1021845215.db2.gz PQDYKYVMYUREEO-UHFFFAOYSA-N 1 2 339.439 3.834 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cc(Cl)c(Cl)cc1F ZINC000439953264 1021855082 /nfs/dbraw/zinc/85/50/82/1021855082.db2.gz MLWTZEBDAISCTF-UHFFFAOYSA-N 1 2 343.189 3.761 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000548256387 1021898684 /nfs/dbraw/zinc/89/86/84/1021898684.db2.gz KMBZTXOMKNPSET-CYBMUJFWSA-N 1 2 337.533 3.926 20 0 EHADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000548256387 1021898705 /nfs/dbraw/zinc/89/87/05/1021898705.db2.gz KMBZTXOMKNPSET-CYBMUJFWSA-N 1 2 337.533 3.926 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000437523594 1021914491 /nfs/dbraw/zinc/91/44/91/1021914491.db2.gz BRSQOPNIBVDYAM-CVEARBPZSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000437523594 1021914498 /nfs/dbraw/zinc/91/44/98/1021914498.db2.gz BRSQOPNIBVDYAM-CVEARBPZSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000437523595 1021915002 /nfs/dbraw/zinc/91/50/02/1021915002.db2.gz BRSQOPNIBVDYAM-HOTGVXAUSA-N 1 2 338.904 3.947 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000437523595 1021915008 /nfs/dbraw/zinc/91/50/08/1021915008.db2.gz BRSQOPNIBVDYAM-HOTGVXAUSA-N 1 2 338.904 3.947 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000519219790 1021938613 /nfs/dbraw/zinc/93/86/13/1021938613.db2.gz ONDSXJVTAWSYAX-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000519219790 1021938619 /nfs/dbraw/zinc/93/86/19/1021938619.db2.gz ONDSXJVTAWSYAX-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO CCCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000440137950 1021965828 /nfs/dbraw/zinc/96/58/28/1021965828.db2.gz UGXGYQGPRVYFDP-WMZOPIPTSA-N 1 2 325.456 3.835 20 0 EHADLO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519272076 1021967218 /nfs/dbraw/zinc/96/72/18/1021967218.db2.gz IRSQYDIUHPSMRG-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519272076 1021967245 /nfs/dbraw/zinc/96/72/45/1021967245.db2.gz IRSQYDIUHPSMRG-FQEVSTJZSA-N 1 2 329.415 3.977 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(C)cn2)ccc1OCC(C)C ZINC000341465506 1021987707 /nfs/dbraw/zinc/98/77/07/1021987707.db2.gz JWEJESPBAAGWPO-OAHLLOKOSA-N 1 2 329.444 3.679 20 0 EHADLO CCCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H](CC)c1ccccc1 ZINC000548280675 1022005902 /nfs/dbraw/zinc/00/59/02/1022005902.db2.gz LYZBFVTZECICFW-ZWKOTPCHSA-N 1 2 340.471 3.771 20 0 EHADLO Cc1cc(C)c2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)ccc2n1 ZINC000925098314 1022021451 /nfs/dbraw/zinc/02/14/51/1022021451.db2.gz UECQYEKCZZZENY-UHFFFAOYSA-N 1 2 334.423 3.566 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000506791447 1022022132 /nfs/dbraw/zinc/02/21/32/1022022132.db2.gz ZTARGMIOMHAMPA-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000506791447 1022022147 /nfs/dbraw/zinc/02/21/47/1022022147.db2.gz ZTARGMIOMHAMPA-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+](Cc2ccco2)C2CCCC2)n1 ZINC000441226502 1022080218 /nfs/dbraw/zinc/08/02/18/1022080218.db2.gz DXOCZTCKLWSLQP-UHFFFAOYSA-N 1 2 329.322 3.712 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+](Cc2ccco2)C2CCCC2)n1 ZINC000441226502 1022080231 /nfs/dbraw/zinc/08/02/31/1022080231.db2.gz DXOCZTCKLWSLQP-UHFFFAOYSA-N 1 2 329.322 3.712 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000341537488 1022161574 /nfs/dbraw/zinc/16/15/74/1022161574.db2.gz VKNNJHYPIZLGAM-UHFFFAOYSA-N 1 2 337.467 3.749 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000341537488 1022161581 /nfs/dbraw/zinc/16/15/81/1022161581.db2.gz VKNNJHYPIZLGAM-UHFFFAOYSA-N 1 2 337.467 3.749 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCCCc1ccc(Cl)cc1Cl ZINC000506143812 1022171466 /nfs/dbraw/zinc/17/14/66/1022171466.db2.gz NKJYSDCJSNVNMH-UHFFFAOYSA-N 1 2 336.226 3.715 20 0 EHADLO CC(C)[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159045 1022241616 /nfs/dbraw/zinc/24/16/16/1022241616.db2.gz DQENTMXNOSZMPC-YOEHRIQHSA-N 1 2 348.878 3.664 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cn2nccc2-c2ccncc2)[C@H](C)CO1 ZINC000172949996 1033041039 /nfs/dbraw/zinc/04/10/39/1033041039.db2.gz XPNVFDPWFOSHQH-UTKZUKDTSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cn2nccc2-c2ccncc2)[C@H](C)CO1 ZINC000172949996 1033041052 /nfs/dbraw/zinc/04/10/52/1033041052.db2.gz XPNVFDPWFOSHQH-UTKZUKDTSA-N 1 2 348.450 3.673 20 0 EHADLO NC(=[NH2+])N(c1noc2ccc(Br)cc21)c1ccc(F)cc1 ZINC001167992010 1022295377 /nfs/dbraw/zinc/29/53/77/1022295377.db2.gz NRXYGMVNQVUVJT-UHFFFAOYSA-N 1 2 349.163 3.761 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ncc(Br)cn1 ZINC000353904122 1022316262 /nfs/dbraw/zinc/31/62/62/1022316262.db2.gz XPUQRECMJGEIRX-QMMMGPOBSA-N 1 2 344.615 3.882 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000517471097 1022354914 /nfs/dbraw/zinc/35/49/14/1022354914.db2.gz SCUZCYNJLJBZPF-HDJSIYSDSA-N 1 2 336.505 3.829 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000302743875 1022368362 /nfs/dbraw/zinc/36/83/62/1022368362.db2.gz NZZPHJQLMLZMJS-CVEARBPZSA-N 1 2 328.431 3.566 20 0 EHADLO C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F)c1ccccc1 ZINC000302743875 1022368377 /nfs/dbraw/zinc/36/83/77/1022368377.db2.gz NZZPHJQLMLZMJS-CVEARBPZSA-N 1 2 328.431 3.566 20 0 EHADLO COc1ccc(-n2c(C[NH+]3CCSCC3)nc3ccccc32)cc1 ZINC000110980970 1022400864 /nfs/dbraw/zinc/40/08/64/1022400864.db2.gz SEYYIZJWLAOLOB-UHFFFAOYSA-N 1 2 339.464 3.583 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)c(C(F)(F)F)n1 ZINC000438124691 1022406015 /nfs/dbraw/zinc/40/60/15/1022406015.db2.gz VKHPGZMJWCXCHY-UHFFFAOYSA-N 1 2 340.324 3.691 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)c(C(F)(F)F)n1 ZINC000438124691 1022406030 /nfs/dbraw/zinc/40/60/30/1022406030.db2.gz VKHPGZMJWCXCHY-UHFFFAOYSA-N 1 2 340.324 3.691 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)s1 ZINC000894504412 1022422016 /nfs/dbraw/zinc/42/20/16/1022422016.db2.gz RAIUUJNGXDEAID-OAHLLOKOSA-N 1 2 330.453 3.830 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438147264 1022430662 /nfs/dbraw/zinc/43/06/62/1022430662.db2.gz CUNJHPGZZMXTTB-AVYPCKFXSA-N 1 2 347.418 3.555 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)on1 ZINC000602673924 1033051815 /nfs/dbraw/zinc/05/18/15/1033051815.db2.gz DLQHQQJCCKXWAR-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)on1 ZINC000602673924 1033051827 /nfs/dbraw/zinc/05/18/27/1033051827.db2.gz DLQHQQJCCKXWAR-QGZVFWFLSA-N 1 2 326.396 3.579 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3nc(NC4CCCCC4)sc3=S)C[C@@H]21 ZINC000172943160 1033055726 /nfs/dbraw/zinc/05/57/26/1033055726.db2.gz JJVYQOOZYQTPHN-BETUJISGSA-N 1 2 338.546 3.964 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3nc(NC4CCCCC4)sc3=S)C[C@@H]21 ZINC000172943160 1033055731 /nfs/dbraw/zinc/05/57/31/1033055731.db2.gz JJVYQOOZYQTPHN-BETUJISGSA-N 1 2 338.546 3.964 20 0 EHADLO c1cc([C@H]2CCC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)[nH]n1 ZINC000891723154 1022463321 /nfs/dbraw/zinc/46/33/21/1022463321.db2.gz IFVRPGHJVKKXRL-KRWDZBQOSA-N 1 2 334.423 3.977 20 0 EHADLO c1cc([C@H]2CCC[N@H+](Cc3cccc(Oc4ccccn4)c3)C2)[nH]n1 ZINC000891723154 1022463332 /nfs/dbraw/zinc/46/33/32/1022463332.db2.gz IFVRPGHJVKKXRL-KRWDZBQOSA-N 1 2 334.423 3.977 20 0 EHADLO CC[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000550127371 1022541689 /nfs/dbraw/zinc/54/16/89/1022541689.db2.gz INGYXMUZUQNVOI-APWZRJJASA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000550127371 1022541693 /nfs/dbraw/zinc/54/16/93/1022541693.db2.gz INGYXMUZUQNVOI-APWZRJJASA-N 1 2 326.440 3.668 20 0 EHADLO CC1(C)CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000303828175 1022542442 /nfs/dbraw/zinc/54/24/42/1022542442.db2.gz GEBJPOJLDGMOEK-GOSISDBHSA-N 1 2 346.540 3.862 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000052805609 1022554256 /nfs/dbraw/zinc/55/42/56/1022554256.db2.gz TURBQMNHVVLISF-UHFFFAOYSA-N 1 2 335.432 3.770 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000052805609 1022554266 /nfs/dbraw/zinc/55/42/66/1022554266.db2.gz TURBQMNHVVLISF-UHFFFAOYSA-N 1 2 335.432 3.770 20 0 EHADLO C[N@H+](Cc1nc(Br)c[nH]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000894568857 1022568414 /nfs/dbraw/zinc/56/84/14/1022568414.db2.gz OIKHDIFKCNYHPZ-BDAKNGLRSA-N 1 2 340.187 3.725 20 0 EHADLO C[N@@H+](Cc1nc(Br)c[nH]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000894568857 1022568432 /nfs/dbraw/zinc/56/84/32/1022568432.db2.gz OIKHDIFKCNYHPZ-BDAKNGLRSA-N 1 2 340.187 3.725 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(C)(C)CC)[C@@H](C)C1 ZINC000441432179 1022574329 /nfs/dbraw/zinc/57/43/29/1022574329.db2.gz WZUUWNJNXDHNJH-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(C)(C)CC)[C@@H](C)C1 ZINC000441432179 1022574345 /nfs/dbraw/zinc/57/43/45/1022574345.db2.gz WZUUWNJNXDHNJH-INIZCTEOSA-N 1 2 332.488 3.554 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833767 1022585569 /nfs/dbraw/zinc/58/55/69/1022585569.db2.gz UOSMWAAXKXBOMV-XPJGSDBHSA-N 1 2 329.488 3.548 20 0 EHADLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833767 1022585577 /nfs/dbraw/zinc/58/55/77/1022585577.db2.gz UOSMWAAXKXBOMV-XPJGSDBHSA-N 1 2 329.488 3.548 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C[C@@H]3C=CCC3)n2)O1 ZINC000665006368 1022668972 /nfs/dbraw/zinc/66/89/72/1022668972.db2.gz UZDDBCCWHCWBFH-NUJGCVRESA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C[C@@H]3C=CCC3)n2)O1 ZINC000665006368 1022668976 /nfs/dbraw/zinc/66/89/76/1022668976.db2.gz UZDDBCCWHCWBFH-NUJGCVRESA-N 1 2 339.439 3.540 20 0 EHADLO Fc1cc2c(cc1Br)[C@@H]([NH2+][C@H]1CCc3cccnc31)CO2 ZINC000894672808 1022688770 /nfs/dbraw/zinc/68/87/70/1022688770.db2.gz IRVOUZWHADEREO-KBPBESRZSA-N 1 2 349.203 3.694 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011177 1022706532 /nfs/dbraw/zinc/70/65/32/1022706532.db2.gz NXDNGUWZCMMQHX-UBDQQSCGSA-N 1 2 341.455 3.791 20 0 EHADLO CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011177 1022706547 /nfs/dbraw/zinc/70/65/47/1022706547.db2.gz NXDNGUWZCMMQHX-UBDQQSCGSA-N 1 2 341.455 3.791 20 0 EHADLO C[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000891783896 1022712714 /nfs/dbraw/zinc/71/27/14/1022712714.db2.gz OEMWLASBOBIVPJ-INIZCTEOSA-N 1 2 331.847 3.686 20 0 EHADLO C[N@H+](Cc1c(Cl)n[nH]c1C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000891783896 1022712732 /nfs/dbraw/zinc/71/27/32/1022712732.db2.gz OEMWLASBOBIVPJ-INIZCTEOSA-N 1 2 331.847 3.686 20 0 EHADLO Cc1ccc(SCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000345985671 1022718219 /nfs/dbraw/zinc/71/82/19/1022718219.db2.gz SRROIHVKSGUJQR-SJLPKXTDSA-N 1 2 343.496 3.783 20 0 EHADLO CCC[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000341642338 1022748278 /nfs/dbraw/zinc/74/82/78/1022748278.db2.gz URYWMKDHJDBELL-ZDUSSCGKSA-N 1 2 325.243 3.827 20 0 EHADLO CN(C[C@@H]1CCCO1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409725953 1022759450 /nfs/dbraw/zinc/75/94/50/1022759450.db2.gz ITGJIRJTUYUHLR-JTQLQIEISA-N 1 2 339.208 3.752 20 0 EHADLO CC(C)CCc1nc(CN2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000146673104 1033078324 /nfs/dbraw/zinc/07/83/24/1033078324.db2.gz ASQUFTOTYSVAIF-UHFFFAOYSA-N 1 2 333.501 3.643 20 0 EHADLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cnn1C ZINC000517847054 1022765545 /nfs/dbraw/zinc/76/55/45/1022765545.db2.gz NIIPUUMFGLSVIN-INIZCTEOSA-N 1 2 342.487 3.619 20 0 EHADLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cnn1C ZINC000517847054 1022765559 /nfs/dbraw/zinc/76/55/59/1022765559.db2.gz NIIPUUMFGLSVIN-INIZCTEOSA-N 1 2 342.487 3.619 20 0 EHADLO Fc1cc(N2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)ccn1 ZINC000894718477 1022789115 /nfs/dbraw/zinc/78/91/15/1022789115.db2.gz JIQCCUHZDILCDM-UHFFFAOYSA-N 1 2 339.336 3.620 20 0 EHADLO CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430866789 1022806845 /nfs/dbraw/zinc/80/68/45/1022806845.db2.gz ZWJUXEJSHKIJFC-UHFFFAOYSA-N 1 2 346.862 3.548 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341655529 1022863975 /nfs/dbraw/zinc/86/39/75/1022863975.db2.gz HJZLQTUIIHSERT-ZDUSSCGKSA-N 1 2 347.411 3.713 20 0 EHADLO C[N@H+](CCc1ccc(F)cc1)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188976053 1022926781 /nfs/dbraw/zinc/92/67/81/1022926781.db2.gz MZLHFTWRMGKLPA-UHFFFAOYSA-N 1 2 347.340 3.828 20 0 EHADLO C[N@@H+](CCc1ccc(F)cc1)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188976053 1022926798 /nfs/dbraw/zinc/92/67/98/1022926798.db2.gz MZLHFTWRMGKLPA-UHFFFAOYSA-N 1 2 347.340 3.828 20 0 EHADLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000188945250 1022934995 /nfs/dbraw/zinc/93/49/95/1022934995.db2.gz NQRKFZLYZGGMLK-UHFFFAOYSA-N 1 2 346.833 3.874 20 0 EHADLO CCN(Cc1ccccc1C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000438773929 1022988183 /nfs/dbraw/zinc/98/81/83/1022988183.db2.gz NINRZXXOERPXJO-UHFFFAOYSA-N 1 2 347.462 3.831 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090087 1023020036 /nfs/dbraw/zinc/02/00/36/1023020036.db2.gz FLRBCCUCSJZXPL-IPMKNSEASA-N 1 2 337.467 3.775 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000506367838 1023020324 /nfs/dbraw/zinc/02/03/24/1023020324.db2.gz GLWOMLBJHQINSO-LJQANCHMSA-N 1 2 339.483 3.836 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000506367838 1023020335 /nfs/dbraw/zinc/02/03/35/1023020335.db2.gz GLWOMLBJHQINSO-LJQANCHMSA-N 1 2 339.483 3.836 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000430974612 1023048276 /nfs/dbraw/zinc/04/82/76/1023048276.db2.gz BMIIOPMLGXNGOS-HNAYVOBHSA-N 1 2 338.455 3.523 20 0 EHADLO CCCOc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000518152472 1023049365 /nfs/dbraw/zinc/04/93/65/1023049365.db2.gz LMIOZHQXRZVADG-UHFFFAOYSA-N 1 2 349.434 3.901 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3scnc3C)n2)cc1 ZINC000276816382 1023050486 /nfs/dbraw/zinc/05/04/86/1023050486.db2.gz YUCMXUAXWFQUDT-GFCCVEGCSA-N 1 2 328.441 3.915 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3[C@H](C)C[C@H]3C)cs2)cc1 ZINC000548426512 1023109652 /nfs/dbraw/zinc/10/96/52/1023109652.db2.gz AZCAVVRJFORVLB-ZIAGYGMSSA-N 1 2 329.469 3.615 20 0 EHADLO CC(C)N(CC1CC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000895067225 1023111732 /nfs/dbraw/zinc/11/17/32/1023111732.db2.gz UEXSSLWNOYINLT-UHFFFAOYSA-N 1 2 346.862 3.856 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000518194811 1023116303 /nfs/dbraw/zinc/11/63/03/1023116303.db2.gz SQJIZPRHQKKGOR-SUMWQHHRSA-N 1 2 331.847 3.612 20 0 EHADLO Cc1cc(F)ncc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891870491 1023155343 /nfs/dbraw/zinc/15/53/43/1023155343.db2.gz AQJQZYYHOXVUCU-IBGZPJMESA-N 1 2 342.393 3.623 20 0 EHADLO Cc1cc(F)ncc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891870491 1023155350 /nfs/dbraw/zinc/15/53/50/1023155350.db2.gz AQJQZYYHOXVUCU-IBGZPJMESA-N 1 2 342.393 3.623 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000438991041 1023196581 /nfs/dbraw/zinc/19/65/81/1023196581.db2.gz LOEBTHDBRCMLNI-VXGBXAGGSA-N 1 2 333.457 3.830 20 0 EHADLO COC(=O)C[N@H+](CCCOC(C)(C)C)Cc1ccc(Cl)cc1 ZINC000610681275 1023198101 /nfs/dbraw/zinc/19/81/01/1023198101.db2.gz OMHIHDTWCBXKJH-UHFFFAOYSA-N 1 2 327.852 3.520 20 0 EHADLO COC(=O)C[N@@H+](CCCOC(C)(C)C)Cc1ccc(Cl)cc1 ZINC000610681275 1023198104 /nfs/dbraw/zinc/19/81/04/1023198104.db2.gz OMHIHDTWCBXKJH-UHFFFAOYSA-N 1 2 327.852 3.520 20 0 EHADLO O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295378948 1023224638 /nfs/dbraw/zinc/22/46/38/1023224638.db2.gz XKDLZOWPTFYLCV-LBPRGKRZSA-N 1 2 340.814 3.631 20 0 EHADLO C[C@H]1c2nncn2CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000276856759 1023227970 /nfs/dbraw/zinc/22/79/70/1023227970.db2.gz TVDVTKGJEGTBJA-JTQLQIEISA-N 1 2 343.283 3.754 20 0 EHADLO C[C@H]1c2nncn2CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000276856759 1023227980 /nfs/dbraw/zinc/22/79/80/1023227980.db2.gz TVDVTKGJEGTBJA-JTQLQIEISA-N 1 2 343.283 3.754 20 0 EHADLO CC(C)=CCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000276869784 1023262675 /nfs/dbraw/zinc/26/26/75/1023262675.db2.gz QHJBHVMIUPPVFE-IAGOWNOFSA-N 1 2 345.487 3.774 20 0 EHADLO Cc1cccc(C)c1OCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000518373779 1023263999 /nfs/dbraw/zinc/26/39/99/1023263999.db2.gz ZFGUNXQIQSSOME-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO Cc1cccc(C)c1OCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000518373779 1023264007 /nfs/dbraw/zinc/26/40/07/1023264007.db2.gz ZFGUNXQIQSSOME-UHFFFAOYSA-N 1 2 326.444 3.575 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCCC1(C)C ZINC000190570050 1023283116 /nfs/dbraw/zinc/28/31/16/1023283116.db2.gz PSZDZUYVUPAARR-INIZCTEOSA-N 1 2 334.508 3.836 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cccc1 ZINC000520492294 1023283523 /nfs/dbraw/zinc/28/35/23/1023283523.db2.gz BPQQINWUXHJPAZ-GJZGRUSLSA-N 1 2 346.500 3.766 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cccc1 ZINC000520492294 1023283529 /nfs/dbraw/zinc/28/35/29/1023283529.db2.gz BPQQINWUXHJPAZ-GJZGRUSLSA-N 1 2 346.500 3.766 20 0 EHADLO Brc1cccnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000341780966 1023308492 /nfs/dbraw/zinc/30/84/92/1023308492.db2.gz QCHLTCUCRYCXLT-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO Cc1cccn2cc(CC(=O)NCC(C)(C)C3=CCCCC3)[nH+]c12 ZINC000548470375 1023402185 /nfs/dbraw/zinc/40/21/85/1023402185.db2.gz DUVCBOHFGSDFDF-UHFFFAOYSA-N 1 2 325.456 3.828 20 0 EHADLO CCCCSCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000119572593 1033129996 /nfs/dbraw/zinc/12/99/96/1033129996.db2.gz JWUBFKUKHLETRA-UHFFFAOYSA-N 1 2 341.546 3.991 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833172 1023420472 /nfs/dbraw/zinc/42/04/72/1023420472.db2.gz PCNDXJBQHYSSGB-UHFFFAOYSA-N 1 2 345.489 3.937 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833172 1023420476 /nfs/dbraw/zinc/42/04/76/1023420476.db2.gz PCNDXJBQHYSSGB-UHFFFAOYSA-N 1 2 345.489 3.937 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341835175 1023422784 /nfs/dbraw/zinc/42/27/84/1023422784.db2.gz MNVCETKBTJRKNQ-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341835175 1023422791 /nfs/dbraw/zinc/42/27/91/1023422791.db2.gz MNVCETKBTJRKNQ-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO Fc1cnc2c(c1)nccc2NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341846585 1023451768 /nfs/dbraw/zinc/45/17/68/1023451768.db2.gz RSJIXPMRULZFSK-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000176098889 1023455293 /nfs/dbraw/zinc/45/52/93/1023455293.db2.gz FIDASRLTJJWWAK-SECBINFHSA-N 1 2 345.877 3.513 20 0 EHADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000176098889 1023455296 /nfs/dbraw/zinc/45/52/96/1023455296.db2.gz FIDASRLTJJWWAK-SECBINFHSA-N 1 2 345.877 3.513 20 0 EHADLO O=C(c1cc(F)ccc1-c1ccoc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000471964744 1023458932 /nfs/dbraw/zinc/45/89/32/1023458932.db2.gz JRHRSUWYSRLCTB-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582003860 1023498125 /nfs/dbraw/zinc/49/81/25/1023498125.db2.gz IFRRZRPXYCZIDK-LBPRGKRZSA-N 1 2 331.485 3.725 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582003860 1023498127 /nfs/dbraw/zinc/49/81/27/1023498127.db2.gz IFRRZRPXYCZIDK-LBPRGKRZSA-N 1 2 331.485 3.725 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000341871552 1023505757 /nfs/dbraw/zinc/50/57/57/1023505757.db2.gz NOYRDOGBBJPTLY-INIZCTEOSA-N 1 2 335.494 3.797 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000341871552 1023505764 /nfs/dbraw/zinc/50/57/64/1023505764.db2.gz NOYRDOGBBJPTLY-INIZCTEOSA-N 1 2 335.494 3.797 20 0 EHADLO Cc1cn2cc(NC(=O)NC(C)(C)c3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000431206627 1023523650 /nfs/dbraw/zinc/52/36/50/1023523650.db2.gz LICAMCBTTTYEFR-UHFFFAOYSA-N 1 2 344.365 3.978 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000684595184 1023614537 /nfs/dbraw/zinc/61/45/37/1023614537.db2.gz UVUWZUKTRZAZQQ-UHFFFAOYSA-N 1 2 328.362 3.693 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000684595184 1023614542 /nfs/dbraw/zinc/61/45/42/1023614542.db2.gz UVUWZUKTRZAZQQ-UHFFFAOYSA-N 1 2 328.362 3.693 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000535781976 1023630449 /nfs/dbraw/zinc/63/04/49/1023630449.db2.gz ZBOSGXUBKRQOLE-CYBMUJFWSA-N 1 2 337.510 3.907 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000535781976 1023630452 /nfs/dbraw/zinc/63/04/52/1023630452.db2.gz ZBOSGXUBKRQOLE-CYBMUJFWSA-N 1 2 337.510 3.907 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Cl ZINC000341912029 1023672357 /nfs/dbraw/zinc/67/23/57/1023672357.db2.gz ALKWOUAZFHJRIP-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1Cl ZINC000341912029 1023672362 /nfs/dbraw/zinc/67/23/62/1023672362.db2.gz ALKWOUAZFHJRIP-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000341915695 1023674626 /nfs/dbraw/zinc/67/46/26/1023674626.db2.gz XBORDBZZKALVIT-DLENHJPASA-N 1 2 341.476 3.768 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000341915695 1023674628 /nfs/dbraw/zinc/67/46/28/1023674628.db2.gz XBORDBZZKALVIT-DLENHJPASA-N 1 2 341.476 3.768 20 0 EHADLO OCCOc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000341929833 1023703982 /nfs/dbraw/zinc/70/39/82/1023703982.db2.gz HKUZFIPQJITFKB-UHFFFAOYSA-N 1 2 328.799 3.871 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000342035136 1023771574 /nfs/dbraw/zinc/77/15/74/1023771574.db2.gz QGMWEKHLKGBYIU-CQSZACIVSA-N 1 2 326.227 3.651 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001143418827 1023791813 /nfs/dbraw/zinc/79/18/13/1023791813.db2.gz YCYVMEKFXCYTKF-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001143418827 1023791818 /nfs/dbraw/zinc/79/18/18/1023791818.db2.gz YCYVMEKFXCYTKF-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1cccnc1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000449751366 1033166641 /nfs/dbraw/zinc/16/66/41/1033166641.db2.gz XYMLLDMMISNCEU-UHFFFAOYSA-N 1 2 331.847 3.634 20 0 EHADLO Cc1cc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143456967 1033168041 /nfs/dbraw/zinc/16/80/41/1033168041.db2.gz DDXGLFITBQPUJE-AWEZNQCLSA-N 1 2 334.332 3.539 20 0 EHADLO Cc1cc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143456967 1033168048 /nfs/dbraw/zinc/16/80/48/1033168048.db2.gz DDXGLFITBQPUJE-AWEZNQCLSA-N 1 2 334.332 3.539 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884139 1023941618 /nfs/dbraw/zinc/94/16/18/1023941618.db2.gz BAHNMZWCKLDSFQ-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884139 1023941625 /nfs/dbraw/zinc/94/16/25/1023941625.db2.gz BAHNMZWCKLDSFQ-JKSUJKDBSA-N 1 2 338.854 3.921 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)CC(C)(C)C ZINC000190994585 1024008066 /nfs/dbraw/zinc/00/80/66/1024008066.db2.gz PGGHCUXWKOKRJQ-IXDOHACOSA-N 1 2 334.508 3.938 20 0 EHADLO C=Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000277175441 1024016769 /nfs/dbraw/zinc/01/67/69/1024016769.db2.gz ASLDEBAQHLOXNF-INIZCTEOSA-N 1 2 336.435 3.975 20 0 EHADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1Cl ZINC000507772625 1024019621 /nfs/dbraw/zinc/01/96/21/1024019621.db2.gz GKTQKEVGLSTREY-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1Cl ZINC000507772625 1024019634 /nfs/dbraw/zinc/01/96/34/1024019634.db2.gz GKTQKEVGLSTREY-SFHVURJKSA-N 1 2 328.843 3.712 20 0 EHADLO CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)Oc1ccccc1Cl ZINC000896843596 1024019931 /nfs/dbraw/zinc/01/99/31/1024019931.db2.gz TWQBPQZRTMLVMA-CQSZACIVSA-N 1 2 349.862 3.554 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000178960063 1024026708 /nfs/dbraw/zinc/02/67/08/1024026708.db2.gz MJSNQCKQORJCHP-GWKQRERASA-N 1 2 341.842 3.533 20 0 EHADLO CC[C@](C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C)cs1 ZINC000151209129 1024061954 /nfs/dbraw/zinc/06/19/54/1024061954.db2.gz YKJDUFHMPWYPPN-SFHVURJKSA-N 1 2 340.452 3.692 20 0 EHADLO CSCC[N@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152331732 1024086030 /nfs/dbraw/zinc/08/60/30/1024086030.db2.gz BSPYGUNRICPETJ-LLVKDONJSA-N 1 2 325.865 3.670 20 0 EHADLO CSCC[N@@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152331732 1024086048 /nfs/dbraw/zinc/08/60/48/1024086048.db2.gz BSPYGUNRICPETJ-LLVKDONJSA-N 1 2 325.865 3.670 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(F)(c3ccccc3)CC2)n1 ZINC000434496979 1024100583 /nfs/dbraw/zinc/10/05/83/1024100583.db2.gz LMHUYHFGWHDYEY-AWEZNQCLSA-N 1 2 333.407 3.628 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614700131 1024118814 /nfs/dbraw/zinc/11/88/14/1024118814.db2.gz DHONXAFIXUTLBZ-RDJZCZTQSA-N 1 2 331.847 3.551 20 0 EHADLO CCCCn1c(S[C@H]2COC(C)(C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000657225642 1024139903 /nfs/dbraw/zinc/13/99/03/1024139903.db2.gz MXLPAHJPAHVQOF-ZIAGYGMSSA-N 1 2 340.537 3.751 20 0 EHADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccco1 ZINC000061002462 1024146629 /nfs/dbraw/zinc/14/66/29/1024146629.db2.gz IAKKRJUCLFHKII-UHFFFAOYSA-N 1 2 333.794 3.915 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2C[C@@H](C)C[C@H]2CC)nc1-c1ccccc1 ZINC000840018831 1024163338 /nfs/dbraw/zinc/16/33/38/1024163338.db2.gz PINOCLUYQPJHSX-MAUKXSAKSA-N 1 2 325.456 3.551 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2C[C@@H](C)C[C@H]2CC)nc1-c1ccccc1 ZINC000840018831 1024163344 /nfs/dbraw/zinc/16/33/44/1024163344.db2.gz PINOCLUYQPJHSX-MAUKXSAKSA-N 1 2 325.456 3.551 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2CC[C@H](CC(C)C)C2)nc1-c1ccccc1 ZINC000840018178 1024166684 /nfs/dbraw/zinc/16/66/84/1024166684.db2.gz KYAYTQAJWSMHIL-QGZVFWFLSA-N 1 2 339.483 3.798 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2CC[C@H](CC(C)C)C2)nc1-c1ccccc1 ZINC000840018178 1024166690 /nfs/dbraw/zinc/16/66/90/1024166690.db2.gz KYAYTQAJWSMHIL-QGZVFWFLSA-N 1 2 339.483 3.798 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000178973084 1024185557 /nfs/dbraw/zinc/18/55/57/1024185557.db2.gz RBLVPAZSINVZDT-OKFGHLOFSA-N 1 2 341.842 3.533 20 0 EHADLO CCc1ccc(-c2noc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000329775020 1024190268 /nfs/dbraw/zinc/19/02/68/1024190268.db2.gz IYBQULSMAVUQGO-AEFFLSMTSA-N 1 2 341.455 3.688 20 0 EHADLO CCc1ccc(-c2noc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000329775020 1024190275 /nfs/dbraw/zinc/19/02/75/1024190275.db2.gz IYBQULSMAVUQGO-AEFFLSMTSA-N 1 2 341.455 3.688 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520602386 1024206799 /nfs/dbraw/zinc/20/67/99/1024206799.db2.gz KLOXFCUUKOCASL-RYRKJORJSA-N 1 2 345.487 3.780 20 0 EHADLO CCCC1CCC([N@H+](C)Cn2nc(C)cc(C(F)(F)F)c2=O)CC1 ZINC000840051010 1024217719 /nfs/dbraw/zinc/21/77/19/1024217719.db2.gz AHZQSDYOXBYEBE-UHFFFAOYSA-N 1 2 345.409 3.819 20 0 EHADLO CCCC1CCC([N@@H+](C)Cn2nc(C)cc(C(F)(F)F)c2=O)CC1 ZINC000840051010 1024217735 /nfs/dbraw/zinc/21/77/35/1024217735.db2.gz AHZQSDYOXBYEBE-UHFFFAOYSA-N 1 2 345.409 3.819 20 0 EHADLO Oc1ccc(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000329862136 1024227467 /nfs/dbraw/zinc/22/74/67/1024227467.db2.gz QVXSPYNYRADXOW-UHFFFAOYSA-N 1 2 338.455 3.557 20 0 EHADLO Oc1ccc(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000329862136 1024227481 /nfs/dbraw/zinc/22/74/81/1024227481.db2.gz QVXSPYNYRADXOW-UHFFFAOYSA-N 1 2 338.455 3.557 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280961506 1024235277 /nfs/dbraw/zinc/23/52/77/1024235277.db2.gz JSGHBLXOUDADIQ-GOSISDBHSA-N 1 2 343.496 3.987 20 0 EHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280961506 1024235289 /nfs/dbraw/zinc/23/52/89/1024235289.db2.gz JSGHBLXOUDADIQ-GOSISDBHSA-N 1 2 343.496 3.987 20 0 EHADLO CCOC(=O)C1(C)CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000474108563 1024243609 /nfs/dbraw/zinc/24/36/09/1024243609.db2.gz YLWCFFLAMNJOJU-UHFFFAOYSA-N 1 2 327.428 3.796 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@H](CC)c2ccccc2OC)s1 ZINC000602834636 1033197544 /nfs/dbraw/zinc/19/75/44/1033197544.db2.gz VGBAEDNTLHANGW-OAHLLOKOSA-N 1 2 348.468 3.912 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@H](CC)c2ccccc2OC)s1 ZINC000602834636 1033197554 /nfs/dbraw/zinc/19/75/54/1033197554.db2.gz VGBAEDNTLHANGW-OAHLLOKOSA-N 1 2 348.468 3.912 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505460040 1024262336 /nfs/dbraw/zinc/26/23/36/1024262336.db2.gz KUGZKHKFIAAGGX-FQEVSTJZSA-N 1 2 340.442 3.630 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000443634746 1024276871 /nfs/dbraw/zinc/27/68/71/1024276871.db2.gz YPERLNGKRUOJOM-GFCCVEGCSA-N 1 2 339.270 3.610 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000342166007 1024277073 /nfs/dbraw/zinc/27/70/73/1024277073.db2.gz LTBNTXCCMRKDGB-UHFFFAOYSA-N 1 2 329.356 3.528 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505467626 1024294845 /nfs/dbraw/zinc/29/48/45/1024294845.db2.gz HHQWWASDWLUVOD-QRWLVFNGSA-N 1 2 340.442 3.665 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443638019 1024295922 /nfs/dbraw/zinc/29/59/22/1024295922.db2.gz HOPUGTCIFMMVAQ-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443638019 1024295941 /nfs/dbraw/zinc/29/59/41/1024295941.db2.gz HOPUGTCIFMMVAQ-MRXNPFEDSA-N 1 2 344.842 3.740 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330041107 1024301684 /nfs/dbraw/zinc/30/16/84/1024301684.db2.gz GAZHXZLARFAHFS-AWEZNQCLSA-N 1 2 344.463 3.625 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330041107 1024301699 /nfs/dbraw/zinc/30/16/99/1024301699.db2.gz GAZHXZLARFAHFS-AWEZNQCLSA-N 1 2 344.463 3.625 20 0 EHADLO O=C(c1cc(Cl)sc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346042329 1024320807 /nfs/dbraw/zinc/32/08/07/1024320807.db2.gz VMAVVDZRRHLQHS-JTQLQIEISA-N 1 2 343.235 3.743 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)CS1 ZINC000277254441 1024347994 /nfs/dbraw/zinc/34/79/94/1024347994.db2.gz OGXVHKNFSPBXKJ-RRQGHBQHSA-N 1 2 333.476 3.768 20 0 EHADLO CCCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505490208 1024349782 /nfs/dbraw/zinc/34/97/82/1024349782.db2.gz ARGXJRVALZPLHO-LJQANCHMSA-N 1 2 326.415 3.565 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CC[NH2+]1 ZINC000505498152 1024355086 /nfs/dbraw/zinc/35/50/86/1024355086.db2.gz IDSKJFRPRLCOQB-AEFFLSMTSA-N 1 2 344.499 3.775 20 0 EHADLO C[C@@H](O)[C@H]1CCCN1c1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000664442009 1024361276 /nfs/dbraw/zinc/36/12/76/1024361276.db2.gz RGUCQJZNFFHVRJ-DNVCBOLYSA-N 1 2 348.450 3.592 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000434738132 1024388081 /nfs/dbraw/zinc/38/80/81/1024388081.db2.gz RGNUTLXQKOVENY-FQEVSTJZSA-N 1 2 344.405 3.875 20 0 EHADLO Cc1ccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000434738132 1024388095 /nfs/dbraw/zinc/38/80/95/1024388095.db2.gz RGNUTLXQKOVENY-FQEVSTJZSA-N 1 2 344.405 3.875 20 0 EHADLO CCCOc1cccc2c(N3CCC(CCC(N)=O)CC3)cc[nH+]c12 ZINC000280907975 1024422064 /nfs/dbraw/zinc/42/20/64/1024422064.db2.gz CDEVNCWSJZNUQC-UHFFFAOYSA-N 1 2 341.455 3.506 20 0 EHADLO CN(C)c1nc(C(F)(F)F)ccc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000895105151 1024426640 /nfs/dbraw/zinc/42/66/40/1024426640.db2.gz PCHBZOVTZOUMKI-UHFFFAOYSA-N 1 2 337.336 3.644 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000342216540 1024435302 /nfs/dbraw/zinc/43/53/02/1024435302.db2.gz XNTZHQWYKOQYGO-UHFFFAOYSA-N 1 2 349.409 3.859 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cn1nc(C(F)F)n(C)c1=S ZINC000840166935 1024437899 /nfs/dbraw/zinc/43/78/99/1024437899.db2.gz NVWCPZIOLGFDPQ-SNVBAGLBSA-N 1 2 344.406 3.548 20 0 EHADLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cn1nc(C(F)F)n(C)c1=S ZINC000840166935 1024437910 /nfs/dbraw/zinc/43/79/10/1024437910.db2.gz NVWCPZIOLGFDPQ-SNVBAGLBSA-N 1 2 344.406 3.548 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000342218758 1024443034 /nfs/dbraw/zinc/44/30/34/1024443034.db2.gz IREMXECDJDQNRY-QWHCGFSZSA-N 1 2 329.893 3.546 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000342218758 1024443038 /nfs/dbraw/zinc/44/30/38/1024443038.db2.gz IREMXECDJDQNRY-QWHCGFSZSA-N 1 2 329.893 3.546 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000434845045 1024445994 /nfs/dbraw/zinc/44/59/94/1024445994.db2.gz XPCCYGMQWHXGNS-LJQANCHMSA-N 1 2 333.435 3.958 20 0 EHADLO Cc1ccccc1Cc1nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000434845045 1024446000 /nfs/dbraw/zinc/44/60/00/1024446000.db2.gz XPCCYGMQWHXGNS-LJQANCHMSA-N 1 2 333.435 3.958 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(COc3ccccc3)n2)[C@@H]2COC[C@@H]21 ZINC000449783993 1033211831 /nfs/dbraw/zinc/21/18/31/1033211831.db2.gz UDERLAKBHAIRJW-DLBZAZTESA-N 1 2 344.480 3.579 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(COc3ccccc3)n2)[C@@H]2COC[C@@H]21 ZINC000449783993 1033211835 /nfs/dbraw/zinc/21/18/35/1033211835.db2.gz UDERLAKBHAIRJW-DLBZAZTESA-N 1 2 344.480 3.579 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000505536304 1024450441 /nfs/dbraw/zinc/45/04/41/1024450441.db2.gz OBVBMNZYDJOERF-MSOLQXFVSA-N 1 2 344.503 3.840 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000346158101 1024458536 /nfs/dbraw/zinc/45/85/36/1024458536.db2.gz YYNHGUHKQORBJL-GOSISDBHSA-N 1 2 334.419 3.632 20 0 EHADLO Cc1c2ccccc2oc1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000346158101 1024458541 /nfs/dbraw/zinc/45/85/41/1024458541.db2.gz YYNHGUHKQORBJL-GOSISDBHSA-N 1 2 334.419 3.632 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000342223073 1024466205 /nfs/dbraw/zinc/46/62/05/1024466205.db2.gz BRVBLHUGYQMZGM-AWEZNQCLSA-N 1 2 336.391 3.979 20 0 EHADLO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505552106 1024471295 /nfs/dbraw/zinc/47/12/95/1024471295.db2.gz WIISBSHMEKBDKO-IPMKNSEASA-N 1 2 330.447 3.515 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505135 1024476706 /nfs/dbraw/zinc/47/67/06/1024476706.db2.gz QRWRGIKMNHVPBO-ZIAGYGMSSA-N 1 2 329.893 3.980 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1)C1CCCC1 ZINC001167505135 1024476711 /nfs/dbraw/zinc/47/67/11/1024476711.db2.gz QRWRGIKMNHVPBO-ZIAGYGMSSA-N 1 2 329.893 3.980 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H](c4noc(C)n4)C3)cc[nH+]c12 ZINC000895405047 1024478128 /nfs/dbraw/zinc/47/81/28/1024478128.db2.gz YJCGINYLIDTNTJ-CQSZACIVSA-N 1 2 338.411 3.709 20 0 EHADLO COCc1ncc2c(n1)CC[N@@H+](Cc1cc3cc(C)c(C)cc3o1)C2 ZINC000895416078 1024487756 /nfs/dbraw/zinc/48/77/56/1024487756.db2.gz XXENGZBSOXINNC-UHFFFAOYSA-N 1 2 337.423 3.544 20 0 EHADLO COCc1ncc2c(n1)CC[N@H+](Cc1cc3cc(C)c(C)cc3o1)C2 ZINC000895416078 1024487761 /nfs/dbraw/zinc/48/77/61/1024487761.db2.gz XXENGZBSOXINNC-UHFFFAOYSA-N 1 2 337.423 3.544 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)s1 ZINC000895443498 1024501848 /nfs/dbraw/zinc/50/18/48/1024501848.db2.gz LOZOXZKCBGFBSH-GFCCVEGCSA-N 1 2 347.427 3.559 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)s1 ZINC000895443498 1024501857 /nfs/dbraw/zinc/50/18/57/1024501857.db2.gz LOZOXZKCBGFBSH-GFCCVEGCSA-N 1 2 347.427 3.559 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000346229667 1024544554 /nfs/dbraw/zinc/54/45/54/1024544554.db2.gz SLQGZOIOXFPUSQ-UHFFFAOYSA-N 1 2 341.361 3.526 20 0 EHADLO CCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H](CC)c1ccccc1 ZINC000459179334 1024544621 /nfs/dbraw/zinc/54/46/21/1024544621.db2.gz NKDHDNZUHVLILH-GOSISDBHSA-N 1 2 328.460 3.536 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@@H](CO)c3c(F)cccc3F)cc2c1C ZINC000472065251 1024548366 /nfs/dbraw/zinc/54/83/66/1024548366.db2.gz WEFPPJKHYQMVAV-SFHVURJKSA-N 1 2 330.378 3.886 20 0 EHADLO CCc1cc2c(nc(C)nc2NCc2nc(C[NH+](C)C)cs2)s1 ZINC000895479876 1024552061 /nfs/dbraw/zinc/55/20/61/1024552061.db2.gz WLHAEQRUAOCNCI-UHFFFAOYSA-N 1 2 347.513 3.692 20 0 EHADLO COC(=O)C[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCCC1 ZINC000474214350 1024583662 /nfs/dbraw/zinc/58/36/62/1024583662.db2.gz KEDDOCNPHHDWKN-UHFFFAOYSA-N 1 2 331.456 3.732 20 0 EHADLO COC(=O)C[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCCC1 ZINC000474214350 1024583669 /nfs/dbraw/zinc/58/36/69/1024583669.db2.gz KEDDOCNPHHDWKN-UHFFFAOYSA-N 1 2 331.456 3.732 20 0 EHADLO Cc1ccc(-c2nc(CNc3cc(N4CCCC4)nc[nH+]3)co2)cc1 ZINC000277326219 1024620254 /nfs/dbraw/zinc/62/02/54/1024620254.db2.gz DLSCBOKDAZJLJG-UHFFFAOYSA-N 1 2 335.411 3.652 20 0 EHADLO Cc1ccc(-c2nc(CNc3cc(N4CCCC4)[nH+]cn3)co2)cc1 ZINC000277326219 1024620268 /nfs/dbraw/zinc/62/02/68/1024620268.db2.gz DLSCBOKDAZJLJG-UHFFFAOYSA-N 1 2 335.411 3.652 20 0 EHADLO Cc1nc(Nc2ccccc2)cc(N2CCC(n3cccn3)CC2)[nH+]1 ZINC000892086823 1024623027 /nfs/dbraw/zinc/62/30/27/1024623027.db2.gz ZHFRFQKHDRZNJA-UHFFFAOYSA-N 1 2 334.427 3.567 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671375 1024642082 /nfs/dbraw/zinc/64/20/82/1024642082.db2.gz GEDYYNRZRYOUJA-FUHWJXTLSA-N 1 2 349.544 3.824 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(F)c(F)c1F ZINC000120037227 1033228683 /nfs/dbraw/zinc/22/86/83/1033228683.db2.gz HWYPQPSPELGSRH-UHFFFAOYSA-N 1 2 335.260 3.681 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1C ZINC000346382011 1024671389 /nfs/dbraw/zinc/67/13/89/1024671389.db2.gz GVSVXZAUSPSIJH-ZIAGYGMSSA-N 1 2 336.505 3.639 20 0 EHADLO O=C(CCSc1cccc(Cl)c1)NCCCCn1cc[nH+]c1 ZINC000514690415 1024674554 /nfs/dbraw/zinc/67/45/54/1024674554.db2.gz QXUMXBYVGCUGDZ-UHFFFAOYSA-N 1 2 337.876 3.615 20 0 EHADLO O=c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc(C2CC2)[nH]1 ZINC000346389479 1024677684 /nfs/dbraw/zinc/67/76/84/1024677684.db2.gz OWVBTNJGOZFCMN-UHFFFAOYSA-N 1 2 345.362 3.567 20 0 EHADLO CC(C)(C)[C@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)CS1 ZINC000277343003 1024704771 /nfs/dbraw/zinc/70/47/71/1024704771.db2.gz VDXHJWPRYUTBIG-UONOGXRCSA-N 1 2 326.531 3.639 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)CS1 ZINC000277343004 1024705472 /nfs/dbraw/zinc/70/54/72/1024705472.db2.gz VDXHJWPRYUTBIG-ZIAGYGMSSA-N 1 2 326.531 3.639 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1c1cccc(F)c1 ZINC000346434272 1024731246 /nfs/dbraw/zinc/73/12/46/1024731246.db2.gz OLGIGFBIVUXTCP-HNJNHCNJSA-N 1 2 327.403 3.578 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000346435056 1024731327 /nfs/dbraw/zinc/73/13/27/1024731327.db2.gz UCAYJEZEMHUZPW-YVEFUNNKSA-N 1 2 331.847 3.926 20 0 EHADLO C[C@H](CCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000151822378 1024750164 /nfs/dbraw/zinc/75/01/64/1024750164.db2.gz LIDRFFAUKOHGSC-QZTJIDSGSA-N 1 2 339.483 3.785 20 0 EHADLO Cc1nc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)nc2ccccc12 ZINC000514853991 1024805079 /nfs/dbraw/zinc/80/50/79/1024805079.db2.gz RWNHGWPZLHIIIE-OAQYLSRUSA-N 1 2 347.462 3.932 20 0 EHADLO COC(=O)c1occc1C[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000425345517 1024814640 /nfs/dbraw/zinc/81/46/40/1024814640.db2.gz HEBQZEZDGLRXRJ-UHFFFAOYSA-N 1 2 337.803 3.753 20 0 EHADLO O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594177045 1033236321 /nfs/dbraw/zinc/23/63/21/1033236321.db2.gz MJNLSOWVZTWLGJ-SFTDATJTSA-N 1 2 344.414 3.628 20 0 EHADLO C[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H](C)CO1 ZINC000508014033 1024832769 /nfs/dbraw/zinc/83/27/69/1024832769.db2.gz JXBMPQNRFKGGTF-WDEREUQCSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@@H](C)CO1 ZINC000508014033 1024832788 /nfs/dbraw/zinc/83/27/88/1024832788.db2.gz JXBMPQNRFKGGTF-WDEREUQCSA-N 1 2 328.239 3.878 20 0 EHADLO CC[C@@H](c1ccccc1)N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC001167510433 1024840866 /nfs/dbraw/zinc/84/08/66/1024840866.db2.gz WIJSMTNSVDRPKX-VXKWHMMOSA-N 1 2 338.495 3.879 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000441820611 1024878072 /nfs/dbraw/zinc/87/80/72/1024878072.db2.gz ZJSLVVANHAGCOD-ZBFHGGJFSA-N 1 2 340.870 3.727 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000346543693 1024879687 /nfs/dbraw/zinc/87/96/87/1024879687.db2.gz HWDQYYYVBFXHHE-OAHLLOKOSA-N 1 2 328.460 3.886 20 0 EHADLO CC(C)Sc1ccc(Cl)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000105049364 1024882040 /nfs/dbraw/zinc/88/20/40/1024882040.db2.gz VXPDFSPEPUDHJR-UHFFFAOYSA-N 1 2 338.864 3.859 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000425374428 1024884695 /nfs/dbraw/zinc/88/46/95/1024884695.db2.gz XEYOZMGNVMBLIW-QFBILLFUSA-N 1 2 335.369 3.573 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000425374428 1024884707 /nfs/dbraw/zinc/88/47/07/1024884707.db2.gz XEYOZMGNVMBLIW-QFBILLFUSA-N 1 2 335.369 3.573 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000346550856 1024889990 /nfs/dbraw/zinc/88/99/90/1024889990.db2.gz RVSPHQWMYYMLEJ-WCXIOVBPSA-N 1 2 340.467 3.515 20 0 EHADLO CCC[N@H+](Cc1nnc2n1CCOC2)[C@@H](C)c1cc2ccccc2o1 ZINC000281325090 1024900482 /nfs/dbraw/zinc/90/04/82/1024900482.db2.gz PMAOPAWSNZMZFI-AWEZNQCLSA-N 1 2 340.427 3.528 20 0 EHADLO CCC[N@@H+](Cc1nnc2n1CCOC2)[C@@H](C)c1cc2ccccc2o1 ZINC000281325090 1024900489 /nfs/dbraw/zinc/90/04/89/1024900489.db2.gz PMAOPAWSNZMZFI-AWEZNQCLSA-N 1 2 340.427 3.528 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2C ZINC000435433862 1024903188 /nfs/dbraw/zinc/90/31/88/1024903188.db2.gz PMGBTJVNSVOXFJ-ZDUSSCGKSA-N 1 2 335.333 3.777 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1Br ZINC000474405665 1024907773 /nfs/dbraw/zinc/90/77/73/1024907773.db2.gz DHKFSUYBBWIFKW-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000514942123 1024918268 /nfs/dbraw/zinc/91/82/68/1024918268.db2.gz RHPUXBNMFPLBDG-VYDXJSESSA-N 1 2 329.444 3.989 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000071954371 1024923758 /nfs/dbraw/zinc/92/37/58/1024923758.db2.gz BBSBFHOAJHVHGX-OAHLLOKOSA-N 1 2 346.858 3.528 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000071954371 1024923765 /nfs/dbraw/zinc/92/37/65/1024923765.db2.gz BBSBFHOAJHVHGX-OAHLLOKOSA-N 1 2 346.858 3.528 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105351411 1024924796 /nfs/dbraw/zinc/92/47/96/1024924796.db2.gz ANFZAHKNDBSMQA-UHFFFAOYSA-N 1 2 328.416 3.541 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cn(-c3ccccc3)nn2)c1C ZINC000346600817 1024937381 /nfs/dbraw/zinc/93/73/81/1024937381.db2.gz KCWILGJMJNUUBP-UHFFFAOYSA-N 1 2 340.452 3.721 20 0 EHADLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ncc(C(F)(F)F)s1 ZINC000895888783 1024941650 /nfs/dbraw/zinc/94/16/50/1024941650.db2.gz XHBZDWBKMHFLPR-UHFFFAOYSA-N 1 2 344.358 3.565 20 0 EHADLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ncc(C(F)(F)F)s1 ZINC000895888783 1024941654 /nfs/dbraw/zinc/94/16/54/1024941654.db2.gz XHBZDWBKMHFLPR-UHFFFAOYSA-N 1 2 344.358 3.565 20 0 EHADLO CCc1nc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cs1 ZINC000514989321 1024961210 /nfs/dbraw/zinc/96/12/10/1024961210.db2.gz AEQONQNAQUBCAL-UHFFFAOYSA-N 1 2 337.876 3.797 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000508273927 1025000797 /nfs/dbraw/zinc/00/07/97/1025000797.db2.gz LQIYNHCQYZIUDP-CSHXORCISA-N 1 2 346.434 3.722 20 0 EHADLO Cc1ccc2c(N3CCC(CCCn4cc[nH+]c4)CC3)ccnc2n1 ZINC000435576829 1025010020 /nfs/dbraw/zinc/01/00/20/1025010020.db2.gz WWNCYQCULCHPSJ-UHFFFAOYSA-N 1 2 335.455 3.832 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000897944503 1033254316 /nfs/dbraw/zinc/25/43/16/1033254316.db2.gz HCRRJMAAXSUXFZ-UHFFFAOYSA-N 1 2 338.411 3.844 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000342352733 1025023780 /nfs/dbraw/zinc/02/37/80/1025023780.db2.gz YXTXCVKCNKBVBL-JTQLQIEISA-N 1 2 343.301 3.816 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2nc(C(C)(C)C)co2)o1 ZINC000897941557 1033250530 /nfs/dbraw/zinc/25/05/30/1033250530.db2.gz BORZNYPWGBUDBM-UHFFFAOYSA-N 1 2 328.416 3.564 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000281434498 1025028604 /nfs/dbraw/zinc/02/86/04/1025028604.db2.gz CIBKPHZKVOPYAI-UHFFFAOYSA-N 1 2 326.238 3.760 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000281434498 1025028611 /nfs/dbraw/zinc/02/86/11/1025028611.db2.gz CIBKPHZKVOPYAI-UHFFFAOYSA-N 1 2 326.238 3.760 20 0 EHADLO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000515167469 1025055058 /nfs/dbraw/zinc/05/50/58/1025055058.db2.gz LPHXFTUFYOKTMY-UHFFFAOYSA-N 1 2 345.859 3.749 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H]1C[C@@]1(C)Br ZINC000892156122 1025058441 /nfs/dbraw/zinc/05/84/41/1025058441.db2.gz DXYNVDHFVUDDBZ-OIBJUYFYSA-N 1 2 343.212 3.767 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H]1C[C@@]1(C)Br ZINC000892156122 1025058450 /nfs/dbraw/zinc/05/84/50/1025058450.db2.gz DXYNVDHFVUDDBZ-OIBJUYFYSA-N 1 2 343.212 3.767 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000428221476 1025056838 /nfs/dbraw/zinc/05/68/38/1025056838.db2.gz KNTUDVRZSXLMNO-PSLXWICFSA-N 1 2 334.485 3.866 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000428221476 1025056843 /nfs/dbraw/zinc/05/68/43/1025056843.db2.gz KNTUDVRZSXLMNO-PSLXWICFSA-N 1 2 334.485 3.866 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCc2ccccc21 ZINC000520800144 1025060279 /nfs/dbraw/zinc/06/02/79/1025060279.db2.gz HPHTUBRURNBKLA-QUCCMNQESA-N 1 2 345.446 3.778 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000342362313 1025065704 /nfs/dbraw/zinc/06/57/04/1025065704.db2.gz OLRVFSDBHZTFCL-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000342362313 1025065718 /nfs/dbraw/zinc/06/57/18/1025065718.db2.gz OLRVFSDBHZTFCL-LLVKDONJSA-N 1 2 340.254 3.791 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc21 ZINC000342364838 1025067946 /nfs/dbraw/zinc/06/79/46/1025067946.db2.gz FNQNBIZVPNLKHZ-UHFFFAOYSA-N 1 2 348.381 3.731 20 0 EHADLO CCO[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1=CCCC1 ZINC000073059921 1025073975 /nfs/dbraw/zinc/07/39/75/1025073975.db2.gz KPPALPUIHLBUAT-QGZVFWFLSA-N 1 2 325.412 3.921 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435670256 1025074639 /nfs/dbraw/zinc/07/46/39/1025074639.db2.gz DQHADCJWWULECR-KBRIMQKVSA-N 1 2 325.399 3.778 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435672357 1025075193 /nfs/dbraw/zinc/07/51/93/1025075193.db2.gz IYEVZMBXCGYHFB-BHIYHBOVSA-N 1 2 343.854 3.960 20 0 EHADLO Brc1cccc2c(N3CC[C@H]([C@H]4CCOC4)C3)cc[nH+]c12 ZINC000441955459 1025115948 /nfs/dbraw/zinc/11/59/48/1025115948.db2.gz QTQPAXOKQOGBJZ-STQMWFEESA-N 1 2 347.256 3.860 20 0 EHADLO Cc1cccc([C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000548657728 1025120226 /nfs/dbraw/zinc/12/02/26/1025120226.db2.gz SYXJYDXKTNDPED-AEFFLSMTSA-N 1 2 340.471 3.593 20 0 EHADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000074346379 1025150809 /nfs/dbraw/zinc/15/08/09/1025150809.db2.gz DSPJIZJUCBKFJC-AWEZNQCLSA-N 1 2 325.334 3.560 20 0 EHADLO CC[N@H+](Cc1oc(C(C)C)nc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000428243891 1025189997 /nfs/dbraw/zinc/18/99/97/1025189997.db2.gz CJCQGUFNGVKMLZ-KRWDZBQOSA-N 1 2 341.455 3.734 20 0 EHADLO CC[N@@H+](Cc1oc(C(C)C)nc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000428243891 1025190004 /nfs/dbraw/zinc/19/00/04/1025190004.db2.gz CJCQGUFNGVKMLZ-KRWDZBQOSA-N 1 2 341.455 3.734 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000346858078 1025248282 /nfs/dbraw/zinc/24/82/82/1025248282.db2.gz VAJLDSGPPCPLPS-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000346858078 1025248291 /nfs/dbraw/zinc/24/82/91/1025248291.db2.gz VAJLDSGPPCPLPS-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)no1 ZINC000896232990 1025268446 /nfs/dbraw/zinc/26/84/46/1025268446.db2.gz PJUSRQHUUGNXNN-JTQLQIEISA-N 1 2 330.190 3.813 20 0 EHADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)no1 ZINC000896232990 1025268457 /nfs/dbraw/zinc/26/84/57/1025268457.db2.gz PJUSRQHUUGNXNN-JTQLQIEISA-N 1 2 330.190 3.813 20 0 EHADLO O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346875133 1025270718 /nfs/dbraw/zinc/27/07/18/1025270718.db2.gz ALRYUWBWDDZJHP-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1nc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)no1 ZINC000896236952 1025276016 /nfs/dbraw/zinc/27/60/16/1025276016.db2.gz KRQUWHIFWHAUET-SNVBAGLBSA-N 1 2 343.761 3.622 20 0 EHADLO Cc1nc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)no1 ZINC000896236952 1025276027 /nfs/dbraw/zinc/27/60/27/1025276027.db2.gz KRQUWHIFWHAUET-SNVBAGLBSA-N 1 2 343.761 3.622 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)oc1C ZINC000582099841 1025297012 /nfs/dbraw/zinc/29/70/12/1025297012.db2.gz OIQQRVXMAHYSIN-VLIAUNLRSA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)oc1C ZINC000582099841 1025297023 /nfs/dbraw/zinc/29/70/23/1025297023.db2.gz OIQQRVXMAHYSIN-VLIAUNLRSA-N 1 2 343.423 3.683 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)C(C)(C)C ZINC000934294802 1025310173 /nfs/dbraw/zinc/31/01/73/1025310173.db2.gz UDAPKWBAZJBBJJ-INIZCTEOSA-N 1 2 326.400 3.910 20 0 EHADLO CSc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000152197275 1025311482 /nfs/dbraw/zinc/31/14/82/1025311482.db2.gz NGKRDGBMGDJBMW-AWEZNQCLSA-N 1 2 344.484 3.629 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCSCc3ccccc3)CCO2)c1 ZINC000192625576 1025312366 /nfs/dbraw/zinc/31/23/66/1025312366.db2.gz BVGFMXUVTLITRT-LJQANCHMSA-N 1 2 329.465 3.699 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCSCc3ccccc3)CCO2)c1 ZINC000192625576 1025312378 /nfs/dbraw/zinc/31/23/78/1025312378.db2.gz BVGFMXUVTLITRT-LJQANCHMSA-N 1 2 329.465 3.699 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1C1CC1 ZINC000346919531 1025314309 /nfs/dbraw/zinc/31/43/09/1025314309.db2.gz BINLBLICCBCARX-UHFFFAOYSA-N 1 2 331.485 3.937 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515549168 1025342267 /nfs/dbraw/zinc/34/22/67/1025342267.db2.gz HYLDAIRCMJHQEN-CQSZACIVSA-N 1 2 346.421 3.836 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000515549168 1025342281 /nfs/dbraw/zinc/34/22/81/1025342281.db2.gz HYLDAIRCMJHQEN-CQSZACIVSA-N 1 2 346.421 3.836 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000521383885 1025362684 /nfs/dbraw/zinc/36/26/84/1025362684.db2.gz CAHPABBAKFFKHA-MRXNPFEDSA-N 1 2 328.431 3.786 20 0 EHADLO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000521383885 1025362696 /nfs/dbraw/zinc/36/26/96/1025362696.db2.gz CAHPABBAKFFKHA-MRXNPFEDSA-N 1 2 328.431 3.786 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000346972163 1025367879 /nfs/dbraw/zinc/36/78/79/1025367879.db2.gz RZNMNCYUYOFZBT-GHMZBOCLSA-N 1 2 335.249 3.608 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC34CCC4)n2)C1 ZINC000436099107 1025389314 /nfs/dbraw/zinc/38/93/14/1025389314.db2.gz GKTBHYCNXRASAR-CQSZACIVSA-N 1 2 348.516 3.925 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC34CCC4)n2)C1 ZINC000436099107 1025389328 /nfs/dbraw/zinc/38/93/28/1025389328.db2.gz GKTBHYCNXRASAR-CQSZACIVSA-N 1 2 348.516 3.925 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)c(Cl)c2)CC[C@@H]1O ZINC000347004546 1025400989 /nfs/dbraw/zinc/40/09/89/1025400989.db2.gz ABXKKPHQZJLLJJ-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@@H]1O ZINC000347004546 1025400993 /nfs/dbraw/zinc/40/09/93/1025400993.db2.gz ABXKKPHQZJLLJJ-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(OCCCO)cc2)n1-c1ccccc1 ZINC000285633059 1025413954 /nfs/dbraw/zinc/41/39/54/1025413954.db2.gz YSRVJKXTWQGYGI-UHFFFAOYSA-N 1 2 337.423 3.554 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ncc(Br)cn1 ZINC000353899171 1025418779 /nfs/dbraw/zinc/41/87/79/1025418779.db2.gz LLSBMLYUQJHVIH-LLVKDONJSA-N 1 2 332.245 3.579 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000436166377 1025429186 /nfs/dbraw/zinc/42/91/86/1025429186.db2.gz QZAMGKUGOMYPPZ-RISCZKNCSA-N 1 2 325.334 3.579 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@H]2CCOc3ccccc32)no1)c1ccccc1 ZINC000521508904 1025432572 /nfs/dbraw/zinc/43/25/72/1025432572.db2.gz DNDXKRFGYRDEAC-FUHWJXTLSA-N 1 2 335.407 3.635 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccncc1Oc1ccccc1 ZINC000442721057 1025453591 /nfs/dbraw/zinc/45/35/91/1025453591.db2.gz UOBCSDARDGNLFP-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO Cn1cc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000896456546 1025466856 /nfs/dbraw/zinc/46/68/56/1025466856.db2.gz WQWIUPNDPGFHFR-GFCCVEGCSA-N 1 2 347.431 3.628 20 0 EHADLO Cn1cc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000896456546 1025466867 /nfs/dbraw/zinc/46/68/67/1025466867.db2.gz WQWIUPNDPGFHFR-GFCCVEGCSA-N 1 2 347.431 3.628 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000436241024 1025490113 /nfs/dbraw/zinc/49/01/13/1025490113.db2.gz QJIPYBPRSPDSPR-UHFFFAOYSA-N 1 2 327.240 3.626 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000451070034 1025491363 /nfs/dbraw/zinc/49/13/63/1025491363.db2.gz GYULQXRKCYBKLT-LBPRGKRZSA-N 1 2 345.447 3.837 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000391843307 1025497944 /nfs/dbraw/zinc/49/79/44/1025497944.db2.gz VZTXODAMYOCQPE-HUUCEWRRSA-N 1 2 328.460 3.733 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCCc2sccc21 ZINC000684784022 1025501498 /nfs/dbraw/zinc/50/14/98/1025501498.db2.gz QFDXUMCLLOVEDF-UHFFFAOYSA-N 1 2 337.448 3.976 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896531465 1025519933 /nfs/dbraw/zinc/51/99/33/1025519933.db2.gz NECBTLLOWUVWNI-JTQLQIEISA-N 1 2 345.299 3.638 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896531465 1025519936 /nfs/dbraw/zinc/51/99/36/1025519936.db2.gz NECBTLLOWUVWNI-JTQLQIEISA-N 1 2 345.299 3.638 20 0 EHADLO Clc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)o1 ZINC000347123820 1025543055 /nfs/dbraw/zinc/54/30/55/1025543055.db2.gz XPVZFSDMBLSACS-UHFFFAOYSA-N 1 2 326.743 3.895 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1c(F)cccc1F ZINC000515736233 1025545644 /nfs/dbraw/zinc/54/56/44/1025545644.db2.gz WRIVEWBLMYQWFH-ZJUUUORDSA-N 1 2 340.320 3.921 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1c(F)cccc1F ZINC000515736122 1025548074 /nfs/dbraw/zinc/54/80/74/1025548074.db2.gz QZCGJZWDFSGTQQ-KGLIPLIRSA-N 1 2 344.405 3.983 20 0 EHADLO O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277512821 1025571544 /nfs/dbraw/zinc/57/15/44/1025571544.db2.gz FXKNNCHQAGFZKU-SFHVURJKSA-N 1 2 339.439 3.784 20 0 EHADLO c1ccc(CSc2cccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2)cc1 ZINC000347149746 1025575371 /nfs/dbraw/zinc/57/53/71/1025575371.db2.gz IEPNQDIXBWDRCY-KDURUIRLSA-N 1 2 341.476 3.579 20 0 EHADLO c1ccc(CSc2cccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)c2)cc1 ZINC000347149746 1025575389 /nfs/dbraw/zinc/57/53/89/1025575389.db2.gz IEPNQDIXBWDRCY-KDURUIRLSA-N 1 2 341.476 3.579 20 0 EHADLO CC(C)(c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)c1cccc(F)c1 ZINC000347134018 1025579096 /nfs/dbraw/zinc/57/90/96/1025579096.db2.gz HNRABTITRWEMOX-UHFFFAOYSA-N 1 2 349.369 3.782 20 0 EHADLO c1[nH]c2ccccc2c1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000521663569 1025579486 /nfs/dbraw/zinc/57/94/86/1025579486.db2.gz AEWKWZJRSVWYSL-UHFFFAOYSA-N 1 2 335.455 3.993 20 0 EHADLO c1[nH]c2ccccc2c1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000521663569 1025579493 /nfs/dbraw/zinc/57/94/93/1025579493.db2.gz AEWKWZJRSVWYSL-UHFFFAOYSA-N 1 2 335.455 3.993 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc2ccoc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000442928664 1025594390 /nfs/dbraw/zinc/59/43/90/1025594390.db2.gz DBJNCKLXSNYTCJ-LBTNJELSSA-N 1 2 330.428 3.505 20 0 EHADLO C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)CC(C)(C)C ZINC000443017251 1025666797 /nfs/dbraw/zinc/66/67/97/1025666797.db2.gz YUICWPLNJCSKEX-MRXNPFEDSA-N 1 2 346.519 3.943 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000505811315 1025668760 /nfs/dbraw/zinc/66/87/60/1025668760.db2.gz FJLBWNPUIRMYJV-CKXPSTMWSA-N 1 2 337.345 3.852 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000505811315 1025668767 /nfs/dbraw/zinc/66/87/67/1025668767.db2.gz FJLBWNPUIRMYJV-CKXPSTMWSA-N 1 2 337.345 3.852 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000505811318 1025671178 /nfs/dbraw/zinc/67/11/78/1025671178.db2.gz FJLBWNPUIRMYJV-VFNNOXKTSA-N 1 2 337.345 3.852 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000505811318 1025671180 /nfs/dbraw/zinc/67/11/80/1025671180.db2.gz FJLBWNPUIRMYJV-VFNNOXKTSA-N 1 2 337.345 3.852 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(N3CCCCCC3)c2)c[nH+]1 ZINC000896587175 1025674340 /nfs/dbraw/zinc/67/43/40/1025674340.db2.gz NGTGIGNIWUQCMF-UHFFFAOYSA-N 1 2 340.471 3.946 20 0 EHADLO CCCCCn1cc(C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000347238069 1025705777 /nfs/dbraw/zinc/70/57/77/1025705777.db2.gz VVKUAZUERVPIQM-UHFFFAOYSA-N 1 2 338.455 3.848 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000530365779 1025711213 /nfs/dbraw/zinc/71/12/13/1025711213.db2.gz SXWOBMVDEKNZMA-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)cn21 ZINC000121752175 1025752264 /nfs/dbraw/zinc/75/22/64/1025752264.db2.gz ZJQWJDLBCDVIEM-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)cn21 ZINC000121752175 1025752282 /nfs/dbraw/zinc/75/22/82/1025752282.db2.gz ZJQWJDLBCDVIEM-MRXNPFEDSA-N 1 2 339.464 3.942 20 0 EHADLO CC(C)[C@@H](CNc1cccc(CN2CCOCC2)[nH+]1)c1ccccc1 ZINC000474882091 1025756121 /nfs/dbraw/zinc/75/61/21/1025756121.db2.gz YHWSNVXOSREFQO-HXUWFJFHSA-N 1 2 339.483 3.766 20 0 EHADLO CCCCSCCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318763 1025764630 /nfs/dbraw/zinc/76/46/30/1025764630.db2.gz GFYTZAYPGJXDNO-QGZVFWFLSA-N 1 2 345.512 3.744 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3CCC4(CC4)CC3)cn2c1 ZINC000347286308 1025812092 /nfs/dbraw/zinc/81/20/92/1025812092.db2.gz FPCXMXPFBZLHSV-UHFFFAOYSA-N 1 2 343.496 3.715 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000281971206 1025818223 /nfs/dbraw/zinc/81/82/23/1025818223.db2.gz LFLYQXYXVZUOSP-SFHVURJKSA-N 1 2 336.439 3.907 20 0 EHADLO CS[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328089 1025831600 /nfs/dbraw/zinc/83/16/00/1025831600.db2.gz UKJPJIQXBOUTEM-FZMZJTMJSA-N 1 2 345.295 3.536 20 0 EHADLO CS[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328089 1025831616 /nfs/dbraw/zinc/83/16/16/1025831616.db2.gz UKJPJIQXBOUTEM-FZMZJTMJSA-N 1 2 345.295 3.536 20 0 EHADLO Cn1cc(Br)c(C[NH2+]Cc2ccc(C3CCC3)cc2)n1 ZINC000449484939 1025841701 /nfs/dbraw/zinc/84/17/01/1025841701.db2.gz OEWPAWMZORBTIF-UHFFFAOYSA-N 1 2 334.261 3.740 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469768744 1025844443 /nfs/dbraw/zinc/84/44/43/1025844443.db2.gz LREFKHKVRCTLSE-XSLAGTTESA-N 1 2 332.492 3.690 20 0 EHADLO CC(C)n1cc(Br)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684820981 1025856994 /nfs/dbraw/zinc/85/69/94/1025856994.db2.gz JWSYFXXKXQCFPO-UHFFFAOYSA-N 1 2 347.216 3.732 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000303986270 1025899169 /nfs/dbraw/zinc/89/91/69/1025899169.db2.gz IRMVDYBQOLEXGB-DYVFJYSZSA-N 1 2 347.434 3.839 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407540 1025910403 /nfs/dbraw/zinc/91/04/03/1025910403.db2.gz LTUNNHJNJQOPAK-NXEZZACHSA-N 1 2 329.288 3.608 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407540 1025910422 /nfs/dbraw/zinc/91/04/22/1025910422.db2.gz LTUNNHJNJQOPAK-NXEZZACHSA-N 1 2 329.288 3.608 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCc2noc3c2COCC3)c1 ZINC000896710630 1025913036 /nfs/dbraw/zinc/91/30/36/1025913036.db2.gz UOGHGLRDUPZYCT-UHFFFAOYSA-N 1 2 349.312 3.926 20 0 EHADLO Cc1ccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000522893363 1025920634 /nfs/dbraw/zinc/92/06/34/1025920634.db2.gz NXNIDWJAILFPSG-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[nH+]c1C ZINC000896909120 1025928877 /nfs/dbraw/zinc/92/88/77/1025928877.db2.gz AYNSDCHZDRSPDX-NWDGAFQWSA-N 1 2 338.238 3.753 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C)c2O)c(C)c1 ZINC000436611072 1025943573 /nfs/dbraw/zinc/94/35/73/1025943573.db2.gz YNZQSBZICXHZSX-IBGZPJMESA-N 1 2 349.434 3.685 20 0 EHADLO Cc1cc([C@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516839 1025974633 /nfs/dbraw/zinc/97/46/33/1025974633.db2.gz VXSXAWHNIIJVFY-PKOBYXMFSA-N 1 2 333.447 3.999 20 0 EHADLO Cc1cc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)ccc1F ZINC000530516839 1025974650 /nfs/dbraw/zinc/97/46/50/1025974650.db2.gz VXSXAWHNIIJVFY-PKOBYXMFSA-N 1 2 333.447 3.999 20 0 EHADLO CCOCC[N@H+](CC)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000444250650 1025979954 /nfs/dbraw/zinc/97/99/54/1025979954.db2.gz RTTLFELCQJVXGO-UHFFFAOYSA-N 1 2 348.512 3.756 20 0 EHADLO CCOCC[N@@H+](CC)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000444250650 1025979972 /nfs/dbraw/zinc/97/99/72/1025979972.db2.gz RTTLFELCQJVXGO-UHFFFAOYSA-N 1 2 348.512 3.756 20 0 EHADLO [NH3+]Cc1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)co1 ZINC000444260755 1025986649 /nfs/dbraw/zinc/98/66/49/1025986649.db2.gz BRUKOXZZERPPGH-UHFFFAOYSA-N 1 2 338.411 3.915 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451460594 1026007412 /nfs/dbraw/zinc/00/74/12/1026007412.db2.gz HYDNDBNXKLPATG-KRWDZBQOSA-N 1 2 331.423 3.856 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451460594 1026007429 /nfs/dbraw/zinc/00/74/29/1026007429.db2.gz HYDNDBNXKLPATG-KRWDZBQOSA-N 1 2 331.423 3.856 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)[nH+]c1C ZINC000896919258 1026023112 /nfs/dbraw/zinc/02/31/12/1026023112.db2.gz LHYOXQXEUXRCDF-SNVBAGLBSA-N 1 2 339.361 3.855 20 0 EHADLO c1cn(-c2cccc(NCc3ccc(O[C@H]4CCOC4)cc3)c2)c[nH+]1 ZINC000657406933 1026041382 /nfs/dbraw/zinc/04/13/82/1026041382.db2.gz NLHRVOJXGRBVBQ-FQEVSTJZSA-N 1 2 335.407 3.652 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CC(C)C)C2CC2)s1 ZINC000121979296 1026069761 /nfs/dbraw/zinc/06/97/61/1026069761.db2.gz MCELEJSMYPWORF-AWEZNQCLSA-N 1 2 337.533 3.654 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CC(C)C)C2CC2)s1 ZINC000121979296 1026069772 /nfs/dbraw/zinc/06/97/72/1026069772.db2.gz MCELEJSMYPWORF-AWEZNQCLSA-N 1 2 337.533 3.654 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1cccs1 ZINC000007493430 1026074143 /nfs/dbraw/zinc/07/41/43/1026074143.db2.gz YLHIEUFWUVTRHE-UHFFFAOYSA-N 1 2 343.496 3.809 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1cccs1 ZINC000007493430 1026074161 /nfs/dbraw/zinc/07/41/61/1026074161.db2.gz YLHIEUFWUVTRHE-UHFFFAOYSA-N 1 2 343.496 3.809 20 0 EHADLO Cc1[nH]c([C@H]2CCCN2c2nccc(OCc3ccccc3)n2)[nH+]c1C ZINC000895191510 1026085316 /nfs/dbraw/zinc/08/53/16/1026085316.db2.gz AHKKGJCUGHADNL-QGZVFWFLSA-N 1 2 349.438 3.737 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCSc2ccc(Cl)cc2)[nH+]c1C ZINC000896929791 1026091206 /nfs/dbraw/zinc/09/12/06/1026091206.db2.gz NHEZVIVPWAQCDZ-UHFFFAOYSA-N 1 2 337.876 3.869 20 0 EHADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@H]1C ZINC000451544678 1026092773 /nfs/dbraw/zinc/09/27/73/1026092773.db2.gz QEVCVQPUCPPTTK-ZBFHGGJFSA-N 1 2 338.879 3.642 20 0 EHADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@H]1C ZINC000451544678 1026092791 /nfs/dbraw/zinc/09/27/91/1026092791.db2.gz QEVCVQPUCPPTTK-ZBFHGGJFSA-N 1 2 338.879 3.642 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366649792 1026093137 /nfs/dbraw/zinc/09/31/37/1026093137.db2.gz DLDLVKQRSLHIQW-LZWOXQAQSA-N 1 2 345.874 3.750 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCC[C@H]3C)cn2c1 ZINC000042463914 1026093243 /nfs/dbraw/zinc/09/32/43/1026093243.db2.gz GYWPCYWFUILQJF-GDBMZVCRSA-N 1 2 331.485 3.571 20 0 EHADLO CC[C@@H]1C[C@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCO1 ZINC000896823172 1026095725 /nfs/dbraw/zinc/09/57/25/1026095725.db2.gz KIBISLRBYLGNPY-NVXWUHKLSA-N 1 2 338.411 3.519 20 0 EHADLO COc1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc(OC)c1O ZINC000326877843 1026098335 /nfs/dbraw/zinc/09/83/35/1026098335.db2.gz FWKCKTGSYBDWGS-LJQANCHMSA-N 1 2 339.391 3.882 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451563092 1026115967 /nfs/dbraw/zinc/11/59/67/1026115967.db2.gz JOCMCVQGQZTIBP-JTNHKYCSSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000451563092 1026115973 /nfs/dbraw/zinc/11/59/73/1026115973.db2.gz JOCMCVQGQZTIBP-JTNHKYCSSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1nnc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)s1 ZINC000451570795 1026123698 /nfs/dbraw/zinc/12/36/98/1026123698.db2.gz QCEKLHKNRMGQOI-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nnc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)s1 ZINC000451570795 1026123721 /nfs/dbraw/zinc/12/37/21/1026123721.db2.gz QCEKLHKNRMGQOI-GFCCVEGCSA-N 1 2 338.274 3.599 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C(C)=C\c2ccc(F)cc2)c1C ZINC000255507180 1026160111 /nfs/dbraw/zinc/16/01/11/1026160111.db2.gz MIGPFTYMPFHAMB-RAXLEYEMSA-N 1 2 342.414 3.908 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2ccc(Cl)cc2C1 ZINC000122096422 1026181148 /nfs/dbraw/zinc/18/11/48/1026181148.db2.gz FERMHEUQVINDAD-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO CCc1nc(N(CCO)Cc2ccc(Cl)c(Cl)c2)cc(C)[nH+]1 ZINC000342540721 1026187414 /nfs/dbraw/zinc/18/74/14/1026187414.db2.gz JFQQUUAOYXJLCZ-UHFFFAOYSA-N 1 2 340.254 3.653 20 0 EHADLO C[C@@H]1CCC[C@]1(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451672149 1026203505 /nfs/dbraw/zinc/20/35/05/1026203505.db2.gz ROPUSGPCPSPTKC-QINHECLXSA-N 1 2 329.488 3.752 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n[nH]1 ZINC000684864597 1026204418 /nfs/dbraw/zinc/20/44/18/1026204418.db2.gz QOSQYRNNBBENLY-UHFFFAOYSA-N 1 2 349.438 3.985 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ncc2F)nc1C ZINC000840783931 1026222849 /nfs/dbraw/zinc/22/28/49/1026222849.db2.gz NCYSCWFYUUETJS-LLVKDONJSA-N 1 2 338.224 3.846 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000127641172 1026225153 /nfs/dbraw/zinc/22/51/53/1026225153.db2.gz JSTKXRQRJPWREI-HOCLYGCPSA-N 1 2 344.434 3.732 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccccc2C)s1 ZINC000122121170 1026245766 /nfs/dbraw/zinc/24/57/66/1026245766.db2.gz KXYIBEAFMMZMLT-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccccc2C)s1 ZINC000122121170 1026245777 /nfs/dbraw/zinc/24/57/77/1026245777.db2.gz KXYIBEAFMMZMLT-OAHLLOKOSA-N 1 2 345.512 3.632 20 0 EHADLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000043288965 1026249167 /nfs/dbraw/zinc/24/91/67/1026249167.db2.gz DWTFFNLDCWKHCA-CQSZACIVSA-N 1 2 340.452 3.553 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)s1 ZINC000897037136 1026257359 /nfs/dbraw/zinc/25/73/59/1026257359.db2.gz HBSHLSWJIUHAQW-UHFFFAOYSA-N 1 2 336.423 3.577 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccccc2Oc2cccnc2)CC[S@]1=O ZINC000451755483 1026262956 /nfs/dbraw/zinc/26/29/56/1026262956.db2.gz KTDXCWLOCKUVEU-XMMPIXPASA-N 1 2 344.480 3.607 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccccc2Oc2cccnc2)CC[S@]1=O ZINC000451755483 1026262968 /nfs/dbraw/zinc/26/29/68/1026262968.db2.gz KTDXCWLOCKUVEU-XMMPIXPASA-N 1 2 344.480 3.607 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000530755449 1026266281 /nfs/dbraw/zinc/26/62/81/1026266281.db2.gz RICREZFLBIKDGU-AWEZNQCLSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000530755449 1026266293 /nfs/dbraw/zinc/26/62/93/1026266293.db2.gz RICREZFLBIKDGU-AWEZNQCLSA-N 1 2 330.255 3.547 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(C4CCC4)c3)sc2C1 ZINC000342562394 1026295626 /nfs/dbraw/zinc/29/56/26/1026295626.db2.gz CFVNAUDTJSABLV-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(C4CCC4)c3)sc2C1 ZINC000342562394 1026295632 /nfs/dbraw/zinc/29/56/32/1026295632.db2.gz CFVNAUDTJSABLV-UHFFFAOYSA-N 1 2 327.453 3.651 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837911 1026318794 /nfs/dbraw/zinc/31/87/94/1026318794.db2.gz MJQRFAKLZGPPQW-LZLYRXPVSA-N 1 2 330.472 3.986 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837911 1026318805 /nfs/dbraw/zinc/31/88/05/1026318805.db2.gz MJQRFAKLZGPPQW-LZLYRXPVSA-N 1 2 330.472 3.986 20 0 EHADLO CN(CC1CCCCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000548738373 1026327829 /nfs/dbraw/zinc/32/78/29/1026327829.db2.gz VCTIORJDLBWIBC-UHFFFAOYSA-N 1 2 325.456 3.513 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000192783080 1026344184 /nfs/dbraw/zinc/34/41/84/1026344184.db2.gz GCTPANWVPJTUFM-UHFFFAOYSA-N 1 2 338.451 3.610 20 0 EHADLO CCc1nc(C)c(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)o1 ZINC000451905857 1026370279 /nfs/dbraw/zinc/37/02/79/1026370279.db2.gz HLUKAQIDAGECOG-INIZCTEOSA-N 1 2 343.254 3.850 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc1 ZINC000451965322 1026401959 /nfs/dbraw/zinc/40/19/59/1026401959.db2.gz COIPLWBQABTQCZ-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc1 ZINC000451965322 1026401963 /nfs/dbraw/zinc/40/19/63/1026401963.db2.gz COIPLWBQABTQCZ-GOSISDBHSA-N 1 2 346.377 3.874 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530962225 1026437242 /nfs/dbraw/zinc/43/72/42/1026437242.db2.gz NBLOPWLKSRDATA-LJQANCHMSA-N 1 2 337.467 3.982 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530962225 1026437244 /nfs/dbraw/zinc/43/72/44/1026437244.db2.gz NBLOPWLKSRDATA-LJQANCHMSA-N 1 2 337.467 3.982 20 0 EHADLO FC1(c2cccnc2)CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000375301148 1026456123 /nfs/dbraw/zinc/45/61/23/1026456123.db2.gz FIFWFPGHBPYVAO-UHFFFAOYSA-N 1 2 336.414 3.933 20 0 EHADLO C[C@@H](Cc1nc(CCc2c(F)cccc2Cl)no1)n1cc[nH+]c1 ZINC000897180446 1026456544 /nfs/dbraw/zinc/45/65/44/1026456544.db2.gz VQMHBRVVFDYULJ-NSHDSACASA-N 1 2 334.782 3.648 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@H]2CCOC3(CCCC3)C2)no1)c1ccccc1 ZINC000897186977 1026469587 /nfs/dbraw/zinc/46/95/87/1026469587.db2.gz LUOYJUCGHOXUBR-DLBZAZTESA-N 1 2 341.455 3.927 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000897212903 1026500809 /nfs/dbraw/zinc/50/08/09/1026500809.db2.gz BAKIZNFWAFSPAF-JKSUJKDBSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000897212903 1026500821 /nfs/dbraw/zinc/50/08/21/1026500821.db2.gz BAKIZNFWAFSPAF-JKSUJKDBSA-N 1 2 336.838 3.531 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cc2ccccc2s1 ZINC000277669299 1026501155 /nfs/dbraw/zinc/50/11/55/1026501155.db2.gz ZUHMTDGKFZJBQP-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cc2ccccc2s1 ZINC000277669299 1026501159 /nfs/dbraw/zinc/50/11/59/1026501159.db2.gz ZUHMTDGKFZJBQP-CYBMUJFWSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630377 1026513182 /nfs/dbraw/zinc/51/31/82/1026513182.db2.gz JEJZDKKXTXHEDS-HZPDHXFCSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1)c1ccc2c(c1)CCCC2 ZINC000342630377 1026513186 /nfs/dbraw/zinc/51/31/86/1026513186.db2.gz JEJZDKKXTXHEDS-HZPDHXFCSA-N 1 2 340.467 3.856 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccn3C(C)C)CC2)s1 ZINC000122508986 1026517506 /nfs/dbraw/zinc/51/75/06/1026517506.db2.gz WQXHSJDTCUBKPA-UHFFFAOYSA-N 1 2 345.512 3.651 20 0 EHADLO CCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475378308 1026535481 /nfs/dbraw/zinc/53/54/81/1026535481.db2.gz DNYROHZXFCYPPW-UHFFFAOYSA-N 1 2 342.830 3.719 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](c3ccccc3)C1)C2 ZINC000475393637 1026558263 /nfs/dbraw/zinc/55/82/63/1026558263.db2.gz QHBBVQXOZFVBKO-SJORKVTESA-N 1 2 337.467 3.654 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](c3ccccc3)C1)CC2 ZINC000475393637 1026558273 /nfs/dbraw/zinc/55/82/73/1026558273.db2.gz QHBBVQXOZFVBKO-SJORKVTESA-N 1 2 337.467 3.654 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000167914636 1026571189 /nfs/dbraw/zinc/57/11/89/1026571189.db2.gz UADATCBMLDMWGB-BBRMVZONSA-N 1 2 344.459 3.604 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC2(C)C)c1)[NH+]1CCOCC1 ZINC000475411312 1026577190 /nfs/dbraw/zinc/57/71/90/1026577190.db2.gz HAHSUDAUZSUJKR-YJBOKZPZSA-N 1 2 330.472 3.845 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475407994 1026578351 /nfs/dbraw/zinc/57/83/51/1026578351.db2.gz QVDGOYAFPHSSRX-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475407994 1026578353 /nfs/dbraw/zinc/57/83/53/1026578353.db2.gz QVDGOYAFPHSSRX-UHFFFAOYSA-N 1 2 338.451 3.815 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500526 1026584445 /nfs/dbraw/zinc/58/44/45/1026584445.db2.gz WJBIZDLTRHQSPW-MRXNPFEDSA-N 1 2 345.516 3.821 20 0 EHADLO CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500526 1026584454 /nfs/dbraw/zinc/58/44/54/1026584454.db2.gz WJBIZDLTRHQSPW-MRXNPFEDSA-N 1 2 345.516 3.821 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000531194954 1026667696 /nfs/dbraw/zinc/66/76/96/1026667696.db2.gz BDLRGYORFCPSFQ-AWEZNQCLSA-N 1 2 342.399 3.568 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342674035 1026673108 /nfs/dbraw/zinc/67/31/08/1026673108.db2.gz PIMQRMMPLJHGBD-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342674035 1026673111 /nfs/dbraw/zinc/67/31/11/1026673111.db2.gz PIMQRMMPLJHGBD-NSHDSACASA-N 1 2 326.318 3.757 20 0 EHADLO COc1ccc(F)cc1[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301242921 1026735252 /nfs/dbraw/zinc/73/52/52/1026735252.db2.gz ABLDWDNEPNKTPP-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO COc1ccc(F)cc1[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301242921 1026735261 /nfs/dbraw/zinc/73/52/61/1026735261.db2.gz ABLDWDNEPNKTPP-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342699629 1026754238 /nfs/dbraw/zinc/75/42/38/1026754238.db2.gz ABMVBXQYCOMPST-SFHVURJKSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000073328799 1026767890 /nfs/dbraw/zinc/76/78/90/1026767890.db2.gz IVCZAVNIMQVLPQ-INIZCTEOSA-N 1 2 336.439 3.538 20 0 EHADLO Cc1nnc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC000301369251 1026779491 /nfs/dbraw/zinc/77/94/91/1026779491.db2.gz SIXLXXYEPLWDDA-ZDUSSCGKSA-N 1 2 340.855 3.716 20 0 EHADLO Cc1nnc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC000301369251 1026779499 /nfs/dbraw/zinc/77/94/99/1026779499.db2.gz SIXLXXYEPLWDDA-ZDUSSCGKSA-N 1 2 340.855 3.716 20 0 EHADLO O=C(Nc1nc(C2CCC2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000277748945 1026784953 /nfs/dbraw/zinc/78/49/53/1026784953.db2.gz QVQDBXWPERXCTD-UHFFFAOYSA-N 1 2 338.436 3.908 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cn1 ZINC000301410373 1026795701 /nfs/dbraw/zinc/79/57/01/1026795701.db2.gz OSWOUFKGNWJTGT-UHFFFAOYSA-N 1 2 349.482 3.509 20 0 EHADLO CO[C@@H](CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccc(F)cc1 ZINC000301428285 1026801631 /nfs/dbraw/zinc/80/16/31/1026801631.db2.gz MWMFDGNAQLZAFF-PBHICJAKSA-N 1 2 344.434 3.652 20 0 EHADLO CO[C@@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccc(F)cc1 ZINC000301428285 1026801643 /nfs/dbraw/zinc/80/16/43/1026801643.db2.gz MWMFDGNAQLZAFF-PBHICJAKSA-N 1 2 344.434 3.652 20 0 EHADLO Cc1cccc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c12 ZINC000301475509 1026819717 /nfs/dbraw/zinc/81/97/17/1026819717.db2.gz ATNHFXUGKPCTKM-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000301479502 1026822286 /nfs/dbraw/zinc/82/22/86/1026822286.db2.gz YDFYWWJGMSEWMW-MRXNPFEDSA-N 1 2 335.373 3.772 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000560357045 1026831068 /nfs/dbraw/zinc/83/10/68/1026831068.db2.gz VUUJXGJETMNNBF-IAGOWNOFSA-N 1 2 325.456 3.764 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC001625944177 1026831171 /nfs/dbraw/zinc/83/11/71/1026831171.db2.gz FFPRYQPSRFTJPQ-FMQWLBJXSA-N 1 2 344.499 3.720 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC001625944177 1026831177 /nfs/dbraw/zinc/83/11/77/1026831177.db2.gz FFPRYQPSRFTJPQ-FMQWLBJXSA-N 1 2 344.499 3.720 20 0 EHADLO COc1ccc(OC)c([C@@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301535534 1026844791 /nfs/dbraw/zinc/84/47/91/1026844791.db2.gz QOEWXVFTCCPEAR-CQSZACIVSA-N 1 2 342.443 3.657 20 0 EHADLO COc1ccc(OC)c([C@@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301535534 1026844799 /nfs/dbraw/zinc/84/47/99/1026844799.db2.gz QOEWXVFTCCPEAR-CQSZACIVSA-N 1 2 342.443 3.657 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000122904363 1026852209 /nfs/dbraw/zinc/85/22/09/1026852209.db2.gz QOEVGENMRRDNOG-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2ccco2)C2CC2)cc1 ZINC000122904363 1026852216 /nfs/dbraw/zinc/85/22/16/1026852216.db2.gz QOEVGENMRRDNOG-MRXNPFEDSA-N 1 2 326.440 3.772 20 0 EHADLO C[C@@H](CNc1c(F)c(F)nc(F)c1F)[N@@H+]1CCc2sccc2C1 ZINC000301621040 1026878128 /nfs/dbraw/zinc/87/81/28/1026878128.db2.gz XUHFQHPNWDVOJS-QMMMGPOBSA-N 1 2 345.365 3.558 20 0 EHADLO C[C@@H](CNc1c(F)c(F)nc(F)c1F)[N@H+]1CCc2sccc2C1 ZINC000301621040 1026878138 /nfs/dbraw/zinc/87/81/38/1026878138.db2.gz XUHFQHPNWDVOJS-QMMMGPOBSA-N 1 2 345.365 3.558 20 0 EHADLO COc1ncc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)c2ccccc21 ZINC000639643366 1026882708 /nfs/dbraw/zinc/88/27/08/1026882708.db2.gz BUDGFIORZDPEMQ-KRWDZBQOSA-N 1 2 338.411 3.662 20 0 EHADLO COc1ncc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)c2ccccc21 ZINC000639643366 1026882719 /nfs/dbraw/zinc/88/27/19/1026882719.db2.gz BUDGFIORZDPEMQ-KRWDZBQOSA-N 1 2 338.411 3.662 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)Nc1nccs1 ZINC000025459764 1026892726 /nfs/dbraw/zinc/89/27/26/1026892726.db2.gz LPAZQWQTYWFQMR-SFHVURJKSA-N 1 2 349.459 3.729 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)Nc1nccs1 ZINC000025459764 1026892736 /nfs/dbraw/zinc/89/27/36/1026892736.db2.gz LPAZQWQTYWFQMR-SFHVURJKSA-N 1 2 349.459 3.729 20 0 EHADLO COc1cccc(Cl)c1CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000152970917 1026898536 /nfs/dbraw/zinc/89/85/36/1026898536.db2.gz ZNVSTSXQELEGKY-UHFFFAOYSA-N 1 2 341.798 3.716 20 0 EHADLO CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC001125614595 1026913857 /nfs/dbraw/zinc/91/38/57/1026913857.db2.gz UHFXRRZJVFERHC-CQSZACIVSA-N 1 2 337.423 3.859 20 0 EHADLO Brc1ccsc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301803162 1026944718 /nfs/dbraw/zinc/94/47/18/1026944718.db2.gz APXDQXRXJAQHHY-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO Brc1ccsc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301803162 1026944724 /nfs/dbraw/zinc/94/47/24/1026944724.db2.gz APXDQXRXJAQHHY-UHFFFAOYSA-N 1 2 339.262 3.735 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(NCC5CC5)[nH+]cn4)C3)nc2c1 ZINC000301807312 1026946689 /nfs/dbraw/zinc/94/66/89/1026946689.db2.gz CDLSPPJQFAQDKS-HNNXBMFYSA-N 1 2 349.438 3.824 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(NCC5CC5)nc[nH+]4)C3)nc2c1 ZINC000301807312 1026946697 /nfs/dbraw/zinc/94/66/97/1026946697.db2.gz CDLSPPJQFAQDKS-HNNXBMFYSA-N 1 2 349.438 3.824 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2cc(NCC3CC3)[nH+]cn2)cc1OC ZINC000301815081 1026949353 /nfs/dbraw/zinc/94/93/53/1026949353.db2.gz GLPFANMXHAAPGB-CYBMUJFWSA-N 1 2 342.443 3.797 20 0 EHADLO COc1cc(C)c([C@@H](C)Nc2cc(NCC3CC3)nc[nH+]2)cc1OC ZINC000301815081 1026949358 /nfs/dbraw/zinc/94/93/58/1026949358.db2.gz GLPFANMXHAAPGB-CYBMUJFWSA-N 1 2 342.443 3.797 20 0 EHADLO CC(C)c1cc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301826103 1026954972 /nfs/dbraw/zinc/95/49/72/1026954972.db2.gz OXABMGKKWUVQHB-GJZGRUSLSA-N 1 2 332.492 3.925 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(-n2cccn2)c1 ZINC000301831108 1026956395 /nfs/dbraw/zinc/95/63/95/1026956395.db2.gz QHFJADDJQUSGAN-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(-n2cccn2)c1 ZINC000301831108 1026956402 /nfs/dbraw/zinc/95/64/02/1026956402.db2.gz QHFJADDJQUSGAN-CQSZACIVSA-N 1 2 334.427 3.657 20 0 EHADLO O[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cc2ccccc2s1 ZINC000301837313 1026958580 /nfs/dbraw/zinc/95/85/80/1026958580.db2.gz VWAFNQKSGUEEGU-AWEZNQCLSA-N 1 2 340.452 3.659 20 0 EHADLO O[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)c1cc2ccccc2s1 ZINC000301837313 1026958588 /nfs/dbraw/zinc/95/85/88/1026958588.db2.gz VWAFNQKSGUEEGU-AWEZNQCLSA-N 1 2 340.452 3.659 20 0 EHADLO Clc1ccc([C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000301841475 1026960566 /nfs/dbraw/zinc/96/05/66/1026960566.db2.gz YYJNZAZPBBMCAH-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccc([C@@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000301841475 1026960576 /nfs/dbraw/zinc/96/05/76/1026960576.db2.gz YYJNZAZPBBMCAH-INIZCTEOSA-N 1 2 344.846 3.530 20 0 EHADLO Cc1cccc([C@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)c1 ZINC000277794334 1026962457 /nfs/dbraw/zinc/96/24/57/1026962457.db2.gz MYWWXHLEEHJMES-NRFANRHFSA-N 1 2 345.450 3.982 20 0 EHADLO Cc1cccc([C@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)c1 ZINC000277794334 1026962465 /nfs/dbraw/zinc/96/24/65/1026962465.db2.gz MYWWXHLEEHJMES-NRFANRHFSA-N 1 2 345.450 3.982 20 0 EHADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000301858056 1026966894 /nfs/dbraw/zinc/96/68/94/1026966894.db2.gz DPTBZEYIDZFEIB-ZDUSSCGKSA-N 1 2 347.422 3.512 20 0 EHADLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n(Cc2ccncc2)n1 ZINC001213085262 1026967455 /nfs/dbraw/zinc/96/74/55/1026967455.db2.gz AYMRJOCAFNJASY-UHFFFAOYSA-N 1 2 330.395 3.769 20 0 EHADLO CC(C)c1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000301867804 1026970503 /nfs/dbraw/zinc/97/05/03/1026970503.db2.gz NUAIMEPXDIEULQ-HNNXBMFYSA-N 1 2 342.491 3.538 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCc2cc(F)ccc21 ZINC000301865480 1026970838 /nfs/dbraw/zinc/97/08/38/1026970838.db2.gz FWCYRTVDCNCGCJ-HNNXBMFYSA-N 1 2 325.391 3.820 20 0 EHADLO CN(C[C@@H]1CCC[C@H]1O)c1cc[nH+]c2c(Br)cccc12 ZINC000301875447 1026975119 /nfs/dbraw/zinc/97/51/19/1026975119.db2.gz YDMMCQBHALMYCA-XHDPSFHLSA-N 1 2 335.245 3.595 20 0 EHADLO Nc1nc(NCc2ccc(N3CCCCCC3)nc2)[nH+]c2ccccc12 ZINC000301893735 1026983917 /nfs/dbraw/zinc/98/39/17/1026983917.db2.gz SNQNPSIETWXILC-UHFFFAOYSA-N 1 2 348.454 3.600 20 0 EHADLO CSCc1cc(F)ccc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000301901312 1026987402 /nfs/dbraw/zinc/98/74/02/1026987402.db2.gz NFLQTBBSMUPGAA-UHFFFAOYSA-N 1 2 328.416 3.826 20 0 EHADLO CC(C)n1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000626101161 1026990182 /nfs/dbraw/zinc/99/01/82/1026990182.db2.gz JZLRYBOMUDSLMI-MRXNPFEDSA-N 1 2 342.270 3.984 20 0 EHADLO C[C@@H](C[NH+]1CCOCC1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000302056648 1027036886 /nfs/dbraw/zinc/03/68/86/1027036886.db2.gz AYVPGTAOYSOSRO-LBPRGKRZSA-N 1 2 337.876 3.596 20 0 EHADLO Cc1nc(NCc2csc(-c3ccco3)n2)c2c([nH+]1)CCCC2 ZINC000302105323 1027055182 /nfs/dbraw/zinc/05/51/82/1027055182.db2.gz RRLDLIUKHRPWLG-UHFFFAOYSA-N 1 2 326.425 3.992 20 0 EHADLO Cc1csc([C@@H](C)CNc2[nH+]cnc3c2cnn3C(C)(C)C)n1 ZINC000302122424 1027059665 /nfs/dbraw/zinc/05/96/65/1027059665.db2.gz GSFFSARHHGOTLW-JTQLQIEISA-N 1 2 330.461 3.562 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](C3(C)OCCO3)C2)nc(C(C)C)[nH+]1 ZINC000302163487 1027075170 /nfs/dbraw/zinc/07/51/70/1027075170.db2.gz OKSKJZCWVAYHSK-HNNXBMFYSA-N 1 2 333.476 3.703 20 0 EHADLO CCc1c(Cl)nc(-c2ccccc2)nc1NCCn1cc[nH+]c1 ZINC000302160946 1027075307 /nfs/dbraw/zinc/07/53/07/1027075307.db2.gz YIJGFVDRQGNVJE-UHFFFAOYSA-N 1 2 327.819 3.668 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000302181750 1027081487 /nfs/dbraw/zinc/08/14/87/1027081487.db2.gz QYGQQJJRFPHCSJ-KSSFIOAISA-N 1 2 340.423 3.781 20 0 EHADLO CCO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)n1 ZINC000074992599 1027094127 /nfs/dbraw/zinc/09/41/27/1027094127.db2.gz BCVGIDZCHXIVOG-CQSZACIVSA-N 1 2 345.443 3.555 20 0 EHADLO Cc1cc(N[C@H](c2cnn(C)c2)c2ccc(F)cc2)nc(C(C)C)[nH+]1 ZINC000302368449 1027132797 /nfs/dbraw/zinc/13/27/97/1027132797.db2.gz GEQATGJWJPFLCC-SFHVURJKSA-N 1 2 339.418 3.983 20 0 EHADLO Cc1cnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000342799182 1027141082 /nfs/dbraw/zinc/14/10/82/1027141082.db2.gz IJEZMSOSMPYYFT-LBPRGKRZSA-N 1 2 342.270 3.935 20 0 EHADLO Cc1cnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000342799182 1027141093 /nfs/dbraw/zinc/14/10/93/1027141093.db2.gz IJEZMSOSMPYYFT-LBPRGKRZSA-N 1 2 342.270 3.935 20 0 EHADLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1OC ZINC000125990786 1027146682 /nfs/dbraw/zinc/14/66/82/1027146682.db2.gz WDGMZBLRQCRAJG-RDJZCZTQSA-N 1 2 332.831 3.616 20 0 EHADLO COc1cccc2c(N3CCC[C@@H](CC(=O)OC(C)C)C3)cc[nH+]c12 ZINC000302517727 1027176510 /nfs/dbraw/zinc/17/65/10/1027176510.db2.gz HPXOGIGGZJDKKU-HNNXBMFYSA-N 1 2 342.439 3.802 20 0 EHADLO Cc1csc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)n1 ZINC000126255690 1027178822 /nfs/dbraw/zinc/17/88/22/1027178822.db2.gz ZYUZJXWWCBMKFR-NSHDSACASA-N 1 2 333.848 3.536 20 0 EHADLO CCCC[C@@H](CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000075635211 1027183286 /nfs/dbraw/zinc/18/32/86/1027183286.db2.gz ULPQUGLXOJZALI-GOSISDBHSA-N 1 2 327.472 3.807 20 0 EHADLO CN(CC1(c2ccccc2)CC1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302539014 1027187602 /nfs/dbraw/zinc/18/76/02/1027187602.db2.gz NEWIQPFVSAVTNM-UHFFFAOYSA-N 1 2 335.455 3.749 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438646 1027200190 /nfs/dbraw/zinc/20/01/90/1027200190.db2.gz IKGWUKHOJWWFGC-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438646 1027200203 /nfs/dbraw/zinc/20/02/03/1027200203.db2.gz IKGWUKHOJWWFGC-JTQLQIEISA-N 1 2 340.320 3.702 20 0 EHADLO CC(C)c1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000075863350 1027200517 /nfs/dbraw/zinc/20/05/17/1027200517.db2.gz WTJWNPPXPPETCV-AWEZNQCLSA-N 1 2 348.878 3.725 20 0 EHADLO CCc1nnc([C@@H](C)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863452 1027201353 /nfs/dbraw/zinc/20/13/53/1027201353.db2.gz YREHOQWBPPLXDB-ZIAGYGMSSA-N 1 2 348.878 3.725 20 0 EHADLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959873 1027213785 /nfs/dbraw/zinc/21/37/85/1027213785.db2.gz KITPCEBHJQOLDO-LLVKDONJSA-N 1 2 338.333 3.840 20 0 EHADLO Cc1cccc([C@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000273040150 1027239247 /nfs/dbraw/zinc/23/92/47/1027239247.db2.gz DUQMWUHXSYUCKM-NRFANRHFSA-N 1 2 345.446 3.870 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(-c3ccco3)on2)c1 ZINC000273125647 1027278035 /nfs/dbraw/zinc/27/80/35/1027278035.db2.gz YYQDMRSQMXCIEM-LBPRGKRZSA-N 1 2 328.368 3.803 20 0 EHADLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(OC)cc1)c1ccncc1 ZINC000453063372 1027314505 /nfs/dbraw/zinc/31/45/05/1027314505.db2.gz FOBHCGNOMRXRFE-OALUTQOASA-N 1 2 336.439 3.654 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000127505741 1027317899 /nfs/dbraw/zinc/31/78/99/1027317899.db2.gz LJCXCQTVHLPVET-OAHLLOKOSA-N 1 2 331.803 3.729 20 0 EHADLO C[NH+](C)Cc1cc(NC(=O)c2cc(F)cc3[nH]cnc32)ccc1Cl ZINC000337258755 1027319446 /nfs/dbraw/zinc/31/94/46/1027319446.db2.gz UUXKNFGRYLJMBH-UHFFFAOYSA-N 1 2 346.793 3.669 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@H]3C[C@H](C)n4ncnc43)s2)cc1 ZINC000657569550 1027332800 /nfs/dbraw/zinc/33/28/00/1027332800.db2.gz OWUVXONEPRODKA-WFASDCNBSA-N 1 2 325.441 3.506 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)nc[nH+]1)Oc1ccc(Cl)cc1 ZINC000302897047 1027348598 /nfs/dbraw/zinc/34/85/98/1027348598.db2.gz PGJDOYKEDFRCGR-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)Oc1ccc(Cl)cc1 ZINC000302897047 1027348614 /nfs/dbraw/zinc/34/86/14/1027348614.db2.gz PGJDOYKEDFRCGR-CYBMUJFWSA-N 1 2 332.835 3.610 20 0 EHADLO C[C@H](CNc1cc(N2CCSCC2)nc[nH+]1)Sc1ccccc1 ZINC000302904374 1027354947 /nfs/dbraw/zinc/35/49/47/1027354947.db2.gz RUZHMARAVIFGPV-CQSZACIVSA-N 1 2 346.525 3.623 20 0 EHADLO C[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)Sc1ccccc1 ZINC000302904374 1027354964 /nfs/dbraw/zinc/35/49/64/1027354964.db2.gz RUZHMARAVIFGPV-CQSZACIVSA-N 1 2 346.525 3.623 20 0 EHADLO C[NH+](C)[C@H](CNc1ncnc2c(F)cccc12)c1c(F)cccc1F ZINC000302912633 1027357364 /nfs/dbraw/zinc/35/73/64/1027357364.db2.gz UEAUHMJHBNKXGC-OAHLLOKOSA-N 1 2 346.356 3.762 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC=CC1 ZINC000076958273 1027367644 /nfs/dbraw/zinc/36/76/44/1027367644.db2.gz NKGJFNJPAXRBQJ-MRXNPFEDSA-N 1 2 336.838 3.698 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cn1ccc(C(F)(F)F)n1 ZINC000302965326 1027379596 /nfs/dbraw/zinc/37/95/96/1027379596.db2.gz HFNHHVCMGYDTQY-UHFFFAOYSA-N 1 2 333.741 3.524 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cn1ccc(C(F)(F)F)n1 ZINC000302965326 1027379616 /nfs/dbraw/zinc/37/96/16/1027379616.db2.gz HFNHHVCMGYDTQY-UHFFFAOYSA-N 1 2 333.741 3.524 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000077381793 1027402831 /nfs/dbraw/zinc/40/28/31/1027402831.db2.gz DCBRRNXEVNIDOU-MRXNPFEDSA-N 1 2 349.390 3.802 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000077381793 1027402842 /nfs/dbraw/zinc/40/28/42/1027402842.db2.gz DCBRRNXEVNIDOU-MRXNPFEDSA-N 1 2 349.390 3.802 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000453129966 1027429766 /nfs/dbraw/zinc/42/97/66/1027429766.db2.gz FJDBICCKRHPTNE-FUHWJXTLSA-N 1 2 343.471 3.620 20 0 EHADLO CC1(C)CCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454227529 1027432459 /nfs/dbraw/zinc/43/24/59/1027432459.db2.gz TXDVRVKVUBOZRP-GOSISDBHSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077728082 1027466357 /nfs/dbraw/zinc/46/63/57/1027466357.db2.gz QGTGPMBXLVKXKD-OAHLLOKOSA-N 1 2 340.427 3.610 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1nc(C)cs1 ZINC000273543391 1027486637 /nfs/dbraw/zinc/48/66/37/1027486637.db2.gz WBQPQEXNFWRVJC-SMDDNHRTSA-N 1 2 328.441 3.640 20 0 EHADLO C[N@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1OC(F)(F)F ZINC000459317937 1027559401 /nfs/dbraw/zinc/55/94/01/1027559401.db2.gz VHUUJMPNSPOKPA-UHFFFAOYSA-N 1 2 337.345 3.885 20 0 EHADLO C[N@@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1OC(F)(F)F ZINC000459317937 1027559413 /nfs/dbraw/zinc/55/94/13/1027559413.db2.gz VHUUJMPNSPOKPA-UHFFFAOYSA-N 1 2 337.345 3.885 20 0 EHADLO CC[N@H+](Cc1nc(Cc2nc3cc(Cl)ccc3s2)no1)C1CC1 ZINC000273695692 1027566092 /nfs/dbraw/zinc/56/60/92/1027566092.db2.gz IPSIZUWVTVLQCQ-UHFFFAOYSA-N 1 2 348.859 3.908 20 0 EHADLO CC[N@@H+](Cc1nc(Cc2nc3cc(Cl)ccc3s2)no1)C1CC1 ZINC000273695692 1027566108 /nfs/dbraw/zinc/56/61/08/1027566108.db2.gz IPSIZUWVTVLQCQ-UHFFFAOYSA-N 1 2 348.859 3.908 20 0 EHADLO Cc1cccc(Cc2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000273729717 1027584386 /nfs/dbraw/zinc/58/43/86/1027584386.db2.gz OZTMVMKUQKXFOL-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO Cc1cccc(Cc2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000273729717 1027584402 /nfs/dbraw/zinc/58/44/02/1027584402.db2.gz OZTMVMKUQKXFOL-LJQANCHMSA-N 1 2 349.434 3.542 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@H]3CCc4ccccc43)c12 ZINC000347329159 1027594403 /nfs/dbraw/zinc/59/44/03/1027594403.db2.gz YUPIGFDUKYHKBD-MRXNPFEDSA-N 1 2 341.418 3.957 20 0 EHADLO COc1ccc2nc(C[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000475551985 1027602351 /nfs/dbraw/zinc/60/23/51/1027602351.db2.gz WADJZTCPNHZSNV-UHFFFAOYSA-N 1 2 339.464 3.627 20 0 EHADLO Cc1cc2cc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000129880262 1027612544 /nfs/dbraw/zinc/61/25/44/1027612544.db2.gz ZUTAMOOTEYTPJI-SCLBCKFNSA-N 1 2 337.427 3.788 20 0 EHADLO Cc1cc2cc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2[nH]1 ZINC000129884441 1027613428 /nfs/dbraw/zinc/61/34/28/1027613428.db2.gz ORSMOLZUECTDHD-QGZVFWFLSA-N 1 2 336.395 3.557 20 0 EHADLO Cc1nc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)o1 ZINC000582762445 1027615555 /nfs/dbraw/zinc/61/55/55/1027615555.db2.gz CMONXSTWUXFYHI-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1Cl ZINC000130316634 1027658168 /nfs/dbraw/zinc/65/81/68/1027658168.db2.gz WBZHCYGSLYLSNO-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(F)cc1F ZINC000078329981 1027663672 /nfs/dbraw/zinc/66/36/72/1027663672.db2.gz BFKGOLNIKMVPFG-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CCn1cc(C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)nn1 ZINC000657624387 1027674396 /nfs/dbraw/zinc/67/43/96/1027674396.db2.gz JXRLHSWZVJWYJO-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO Cc1cc(NC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)on1 ZINC000533349471 1027716735 /nfs/dbraw/zinc/71/67/35/1027716735.db2.gz FESCFVNWBICOJN-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)on1 ZINC000533349471 1027716749 /nfs/dbraw/zinc/71/67/49/1027716749.db2.gz FESCFVNWBICOJN-UHFFFAOYSA-N 1 2 349.381 3.645 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000130948639 1027719468 /nfs/dbraw/zinc/71/94/68/1027719468.db2.gz MSGBXEPSPCKCSO-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000130948639 1027719484 /nfs/dbraw/zinc/71/94/84/1027719484.db2.gz MSGBXEPSPCKCSO-SFHVURJKSA-N 1 2 338.382 3.572 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000475587778 1027720241 /nfs/dbraw/zinc/72/02/41/1027720241.db2.gz KMYZGVAJDSTDAG-KXBFYZLASA-N 1 2 329.415 3.693 20 0 EHADLO Cc1nc(Cl)c(NCc2cc[nH+]c(N)c2)nc1-c1ccccc1 ZINC001167617710 1027722463 /nfs/dbraw/zinc/72/24/63/1027722463.db2.gz XEPJVFSJUHAZGH-UHFFFAOYSA-N 1 2 325.803 3.695 20 0 EHADLO Cc1cc(CNC(=O)NCCCc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420781751 1027727980 /nfs/dbraw/zinc/72/79/80/1027727980.db2.gz SQARNVZZFFPMIY-UHFFFAOYSA-N 1 2 331.847 3.784 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420785148 1027728932 /nfs/dbraw/zinc/72/89/32/1027728932.db2.gz YHWCLRGWQWDQLW-HNNXBMFYSA-N 1 2 327.428 3.658 20 0 EHADLO COc1ccc(CC[C@H](C)NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420784148 1027729610 /nfs/dbraw/zinc/72/96/10/1027729610.db2.gz WZYHMYGPTLNXJO-AWEZNQCLSA-N 1 2 341.455 3.528 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459340711 1027730438 /nfs/dbraw/zinc/73/04/38/1027730438.db2.gz BWQYNUGSSLVZNB-LLVKDONJSA-N 1 2 340.452 3.862 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@H](CF)C2)c(-c2ccccc2)cc1OC ZINC000414471909 1027744661 /nfs/dbraw/zinc/74/46/61/1027744661.db2.gz QGTMBOSMQRCASC-QGZVFWFLSA-N 1 2 345.414 3.541 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@H](CF)C2)c(-c2ccccc2)cc1OC ZINC000414471909 1027744681 /nfs/dbraw/zinc/74/46/81/1027744681.db2.gz QGTMBOSMQRCASC-QGZVFWFLSA-N 1 2 345.414 3.541 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cscn1)CSC2 ZINC000657641517 1027747411 /nfs/dbraw/zinc/74/74/11/1027747411.db2.gz FGOJZXXCAJRVJH-ZDUSSCGKSA-N 1 2 341.299 3.983 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCSc3c(F)cccc32)cc(C)[nH+]1 ZINC000420824769 1027758824 /nfs/dbraw/zinc/75/88/24/1027758824.db2.gz QZUYQYNOFXOPHB-INIZCTEOSA-N 1 2 345.443 3.874 20 0 EHADLO Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000628160052 1027765838 /nfs/dbraw/zinc/76/58/38/1027765838.db2.gz GFVHDTRDGDTEDH-UHFFFAOYSA-N 1 2 330.387 3.604 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCOc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420847052 1027790288 /nfs/dbraw/zinc/79/02/88/1027790288.db2.gz KCKGIHQDVVBINA-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@H]3CO)co2)cc1 ZINC000533390677 1027793101 /nfs/dbraw/zinc/79/31/01/1027793101.db2.gz WMJSMWLWKOLBPS-HXUWFJFHSA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@H]3CO)co2)cc1 ZINC000533390677 1027793122 /nfs/dbraw/zinc/79/31/22/1027793122.db2.gz WMJSMWLWKOLBPS-HXUWFJFHSA-N 1 2 334.419 3.742 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3ccc(Cl)cc3C2)cc(C)[nH+]1 ZINC000420849353 1027793280 /nfs/dbraw/zinc/79/32/80/1027793280.db2.gz NPZOQNYMSXFQBE-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@](F)(c3ccccc3C)C2)cc(C)[nH+]1 ZINC000420853304 1027797501 /nfs/dbraw/zinc/79/75/01/1027797501.db2.gz UBUSTHPKHCKBJQ-HXUWFJFHSA-N 1 2 341.430 3.787 20 0 EHADLO COc1nc(Br)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085671 1027805099 /nfs/dbraw/zinc/80/50/99/1027805099.db2.gz QLMGKDTVGLGAGB-UHFFFAOYSA-N 1 2 345.200 3.986 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000131841826 1027829085 /nfs/dbraw/zinc/82/90/85/1027829085.db2.gz FIGHFHYBNPDNRJ-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000132056862 1027855153 /nfs/dbraw/zinc/85/51/53/1027855153.db2.gz RPLJAFBIMMDXEK-UHFFFAOYSA-N 1 2 347.434 3.687 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H](C(=O)OC)[C@H](C)C3)cc[nH+]c12 ZINC000503550649 1027883466 /nfs/dbraw/zinc/88/34/66/1027883466.db2.gz IGUYZYFNPSXQHN-CABCVRRESA-N 1 2 342.439 3.659 20 0 EHADLO CC(C)c1nc(CCNc2cc(N3CCCCC3)nc[nH+]2)cs1 ZINC000110485826 1027888866 /nfs/dbraw/zinc/88/88/66/1027888866.db2.gz KHSZKSODAPQZFT-UHFFFAOYSA-N 1 2 331.489 3.701 20 0 EHADLO CC(C)c1nc(CCNc2cc(N3CCCCC3)[nH+]cn2)cs1 ZINC000110485826 1027888884 /nfs/dbraw/zinc/88/88/84/1027888884.db2.gz KHSZKSODAPQZFT-UHFFFAOYSA-N 1 2 331.489 3.701 20 0 EHADLO C[C@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1c[nH+]ccc1N ZINC000422744952 1027911050 /nfs/dbraw/zinc/91/10/50/1027911050.db2.gz WVTPSVTXHHEODF-LAUBAEHRSA-N 1 2 338.499 3.618 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)ccc1O ZINC000459359818 1027915109 /nfs/dbraw/zinc/91/51/09/1027915109.db2.gz YDIWSKJUMWMUFS-UHFFFAOYSA-N 1 2 332.469 3.758 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)ccc1O ZINC000459359818 1027915130 /nfs/dbraw/zinc/91/51/30/1027915130.db2.gz YDIWSKJUMWMUFS-UHFFFAOYSA-N 1 2 332.469 3.758 20 0 EHADLO Cc1cc(NC(=O)NCC2(c3cccc(Cl)c3)CC2)c(C)c[nH+]1 ZINC000536618565 1027932496 /nfs/dbraw/zinc/93/24/96/1027932496.db2.gz NOAOUUSPBILOOO-UHFFFAOYSA-N 1 2 329.831 3.627 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H](CC)O1 ZINC000420966455 1027935554 /nfs/dbraw/zinc/93/55/54/1027935554.db2.gz ZWWWPIJCEUKTTN-KURKYZTESA-N 1 2 332.488 3.828 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H](CC)O1 ZINC000420966455 1027935566 /nfs/dbraw/zinc/93/55/66/1027935566.db2.gz ZWWWPIJCEUKTTN-KURKYZTESA-N 1 2 332.488 3.828 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@H](CC)CO)n1 ZINC000347340304 1027964264 /nfs/dbraw/zinc/96/42/64/1027964264.db2.gz OTKBOXPSUVPVGW-GOEBONIOSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@H](CC)CO)n1 ZINC000347340304 1027964273 /nfs/dbraw/zinc/96/42/73/1027964273.db2.gz OTKBOXPSUVPVGW-GOEBONIOSA-N 1 2 349.500 3.657 20 0 EHADLO CC(C)CCOC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000188759929 1027987656 /nfs/dbraw/zinc/98/76/56/1027987656.db2.gz MQIZKTUNMMVOOC-INIZCTEOSA-N 1 2 349.523 3.766 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421035654 1027997697 /nfs/dbraw/zinc/99/76/97/1027997697.db2.gz DMEMNGOVINRZTE-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO COC[C@@H](C)N(C(=O)C[C@@H](C)n1cc[nH+]c1)c1cc(Cl)ccc1C ZINC000637755441 1028018862 /nfs/dbraw/zinc/01/88/62/1028018862.db2.gz LYOOOGSAVSVDGE-HUUCEWRRSA-N 1 2 349.862 3.864 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)c1 ZINC000513739486 1028028583 /nfs/dbraw/zinc/02/85/83/1028028583.db2.gz ITLZGGOUTUDYSO-SJLPKXTDSA-N 1 2 344.499 3.727 20 0 EHADLO COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001625982022 1028044832 /nfs/dbraw/zinc/04/48/32/1028044832.db2.gz XCFLSMPIASGSDA-KRWDZBQOSA-N 1 2 347.418 3.829 20 0 EHADLO O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000078645016 1028055456 /nfs/dbraw/zinc/05/54/56/1028055456.db2.gz FLCVMOAJEFHYPD-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000421073751 1028059291 /nfs/dbraw/zinc/05/92/91/1028059291.db2.gz WENJJAINKXYYNQ-UHFFFAOYSA-N 1 2 332.473 3.984 20 0 EHADLO FC(F)(F)c1cccc(CC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000628173376 1028077062 /nfs/dbraw/zinc/07/70/62/1028077062.db2.gz TZGIYDYAXKOLDG-HNNXBMFYSA-N 1 2 325.330 3.914 20 0 EHADLO FC(F)(F)c1cccc(CC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000628173376 1028077076 /nfs/dbraw/zinc/07/70/76/1028077076.db2.gz TZGIYDYAXKOLDG-HNNXBMFYSA-N 1 2 325.330 3.914 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503709172 1028091959 /nfs/dbraw/zinc/09/19/59/1028091959.db2.gz NMNVAXJIJCCTGZ-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503709172 1028091976 /nfs/dbraw/zinc/09/19/76/1028091976.db2.gz NMNVAXJIJCCTGZ-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(Cl)c1 ZINC000031089573 1028093707 /nfs/dbraw/zinc/09/37/07/1028093707.db2.gz ZEMCECLQNWSGCE-UHFFFAOYSA-N 1 2 340.814 3.907 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640574 1028125946 /nfs/dbraw/zinc/12/59/46/1028125946.db2.gz NWJDLBDPDSBQPS-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640574 1028125958 /nfs/dbraw/zinc/12/59/58/1028125958.db2.gz NWJDLBDPDSBQPS-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO Oc1ccc(CCC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000582886263 1028130675 /nfs/dbraw/zinc/13/06/75/1028130675.db2.gz VTARCCBODHWVPB-UHFFFAOYSA-N 1 2 343.496 3.966 20 0 EHADLO Fc1ccccc1-c1nc(C[NH2+][C@@H]2CCCn3nccc32)cs1 ZINC000640216548 1028162258 /nfs/dbraw/zinc/16/22/58/1028162258.db2.gz BYDQONKZSTWBPV-OAHLLOKOSA-N 1 2 328.416 3.770 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000444691136 1028164118 /nfs/dbraw/zinc/16/41/18/1028164118.db2.gz CPKWHWALPAYUKI-UIAACRFSSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000444691136 1028164131 /nfs/dbraw/zinc/16/41/31/1028164131.db2.gz CPKWHWALPAYUKI-UIAACRFSSA-N 1 2 345.870 3.705 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(F)cc(F)c1 ZINC000444697447 1028173545 /nfs/dbraw/zinc/17/35/45/1028173545.db2.gz YFLFUCQSKBTOFL-UHFFFAOYSA-N 1 2 330.378 3.524 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(F)cc(F)c1 ZINC000444697447 1028173554 /nfs/dbraw/zinc/17/35/54/1028173554.db2.gz YFLFUCQSKBTOFL-UHFFFAOYSA-N 1 2 330.378 3.524 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709733 1028190115 /nfs/dbraw/zinc/19/01/15/1028190115.db2.gz RAAKXZNJQUVGLF-CABCVRRESA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709733 1028190125 /nfs/dbraw/zinc/19/01/25/1028190125.db2.gz RAAKXZNJQUVGLF-CABCVRRESA-N 1 2 346.421 3.971 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccc(Cn3cccn3)cc2)c(C)[nH+]1 ZINC000455463413 1028192695 /nfs/dbraw/zinc/19/26/95/1028192695.db2.gz CTXJDBQFJDUXMY-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423103679 1028197765 /nfs/dbraw/zinc/19/77/65/1028197765.db2.gz XUNASHPYXJBZRF-FZKQIMNGSA-N 1 2 346.421 3.837 20 0 EHADLO COCCOc1ccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455470187 1028201915 /nfs/dbraw/zinc/20/19/15/1028201915.db2.gz IDZRGDYEWMJYAR-UHFFFAOYSA-N 1 2 329.400 3.676 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000135589104 1028203434 /nfs/dbraw/zinc/20/34/34/1028203434.db2.gz BMPXYUNTXFNWPG-CQSZACIVSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000135589104 1028203446 /nfs/dbraw/zinc/20/34/46/1028203446.db2.gz BMPXYUNTXFNWPG-CQSZACIVSA-N 1 2 328.441 3.646 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000135632366 1028210137 /nfs/dbraw/zinc/21/01/37/1028210137.db2.gz VCLQWVCNEXSWIX-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000135632366 1028210152 /nfs/dbraw/zinc/21/01/52/1028210152.db2.gz VCLQWVCNEXSWIX-INIZCTEOSA-N 1 2 340.402 3.724 20 0 EHADLO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000503923695 1028213433 /nfs/dbraw/zinc/21/34/33/1028213433.db2.gz DPXIJTZUJLKJBA-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO CCc1cc(OC)ccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000503923695 1028213435 /nfs/dbraw/zinc/21/34/35/1028213435.db2.gz DPXIJTZUJLKJBA-HXUWFJFHSA-N 1 2 329.415 3.970 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000246321985 1028218206 /nfs/dbraw/zinc/21/82/06/1028218206.db2.gz IKVIQBXMYIJGTK-TWJWRFFLSA-N 1 2 337.533 3.694 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000246321985 1028218224 /nfs/dbraw/zinc/21/82/24/1028218224.db2.gz IKVIQBXMYIJGTK-TWJWRFFLSA-N 1 2 337.533 3.694 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444727075 1028221057 /nfs/dbraw/zinc/22/10/57/1028221057.db2.gz PJOLBMATFCYWDZ-PBHICJAKSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444727075 1028221064 /nfs/dbraw/zinc/22/10/64/1028221064.db2.gz PJOLBMATFCYWDZ-PBHICJAKSA-N 1 2 339.863 3.835 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cnc(C(F)(F)F)cc2C)c[nH+]1 ZINC000455492159 1028224296 /nfs/dbraw/zinc/22/42/96/1028224296.db2.gz XQFHUOWLCPVFRD-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136222589 1028240360 /nfs/dbraw/zinc/24/03/60/1028240360.db2.gz NBPBUQMKWLHKAB-IAGOWNOFSA-N 1 2 334.508 3.599 20 0 EHADLO COc1ccc(O[C@@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455484628 1028252293 /nfs/dbraw/zinc/25/22/93/1028252293.db2.gz JTEJFNNUPDCEOC-AWEZNQCLSA-N 1 2 343.427 3.604 20 0 EHADLO CCc1nc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)sc1C ZINC000455489568 1028259504 /nfs/dbraw/zinc/25/95/04/1028259504.db2.gz VQVDLSVOLVZUDI-UHFFFAOYSA-N 1 2 332.473 3.698 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502499295 1028276775 /nfs/dbraw/zinc/27/67/75/1028276775.db2.gz CHGNSTBXWLRIFC-IBGZPJMESA-N 1 2 342.414 3.610 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000502499295 1028276793 /nfs/dbraw/zinc/27/67/93/1028276793.db2.gz CHGNSTBXWLRIFC-IBGZPJMESA-N 1 2 342.414 3.610 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Oc2ccccc2)CC1 ZINC000055764380 1028290211 /nfs/dbraw/zinc/29/02/11/1028290211.db2.gz CFTZYOQWSRRFOQ-UHFFFAOYSA-N 1 2 347.418 3.556 20 0 EHADLO CCn1nccc1C1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455512762 1028291638 /nfs/dbraw/zinc/29/16/38/1028291638.db2.gz IIFBQMZYUKKPMR-UHFFFAOYSA-N 1 2 341.459 3.635 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682833 1028314675 /nfs/dbraw/zinc/31/46/75/1028314675.db2.gz NISDXDUHHAYBHT-WBVHZDCISA-N 1 2 326.843 3.777 20 0 EHADLO CC(C)CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682833 1028314691 /nfs/dbraw/zinc/31/46/91/1028314691.db2.gz NISDXDUHHAYBHT-WBVHZDCISA-N 1 2 326.843 3.777 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000523439209 1028336180 /nfs/dbraw/zinc/33/61/80/1028336180.db2.gz OCIAERRFFNVJFP-HNNXBMFYSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000523439209 1028336198 /nfs/dbraw/zinc/33/61/98/1028336198.db2.gz OCIAERRFFNVJFP-HNNXBMFYSA-N 1 2 340.345 3.885 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000523450120 1028345246 /nfs/dbraw/zinc/34/52/46/1028345246.db2.gz IOCBAHYBSUIDTP-LBPRGKRZSA-N 1 2 331.362 3.951 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000523450120 1028345262 /nfs/dbraw/zinc/34/52/62/1028345262.db2.gz IOCBAHYBSUIDTP-LBPRGKRZSA-N 1 2 331.362 3.951 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cnc(-c3ccco3)s2)nn1 ZINC000421403742 1028349755 /nfs/dbraw/zinc/34/97/55/1028349755.db2.gz OMYNGBOYNWAWRM-UHFFFAOYSA-N 1 2 331.445 3.600 20 0 EHADLO FC[C@@H]1C[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421388122 1028361039 /nfs/dbraw/zinc/36/10/39/1028361039.db2.gz VBDTZDPQCHUAKB-LJQANCHMSA-N 1 2 343.446 3.836 20 0 EHADLO FC[C@@H]1C[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CCO1 ZINC000421388122 1028361055 /nfs/dbraw/zinc/36/10/55/1028361055.db2.gz VBDTZDPQCHUAKB-LJQANCHMSA-N 1 2 343.446 3.836 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067557406 1028370984 /nfs/dbraw/zinc/37/09/84/1028370984.db2.gz IXWSRSOLTVETSC-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421397615 1028375937 /nfs/dbraw/zinc/37/59/37/1028375937.db2.gz DTQBCDLZTGGERY-AWEZNQCLSA-N 1 2 328.275 3.536 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421397615 1028375956 /nfs/dbraw/zinc/37/59/56/1028375956.db2.gz DTQBCDLZTGGERY-AWEZNQCLSA-N 1 2 328.275 3.536 20 0 EHADLO CC(=O)N(c1nc(C[N@H+](C)CC2CC2)cs1)c1ccc(F)cc1 ZINC000058908144 1028396403 /nfs/dbraw/zinc/39/64/03/1028396403.db2.gz YQFCIYMBDZHCKA-UHFFFAOYSA-N 1 2 333.432 3.809 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+](C)CC2CC2)cs1)c1ccc(F)cc1 ZINC000058908144 1028396424 /nfs/dbraw/zinc/39/64/24/1028396424.db2.gz YQFCIYMBDZHCKA-UHFFFAOYSA-N 1 2 333.432 3.809 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000421466534 1028442557 /nfs/dbraw/zinc/44/25/57/1028442557.db2.gz GNXPXLWKQWAGHV-UHFFFAOYSA-N 1 2 348.450 3.554 20 0 EHADLO COc1sc(CNc2ccc(N(C)C)[nH+]c2)cc1Br ZINC000121762680 1028458515 /nfs/dbraw/zinc/45/85/15/1028458515.db2.gz OAMFUQGEGQZOHF-UHFFFAOYSA-N 1 2 342.262 3.592 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H](c2ccsc2)O1 ZINC000246408402 1028476879 /nfs/dbraw/zinc/47/68/79/1028476879.db2.gz JDILDMUWUQMWQZ-KXBFYZLASA-N 1 2 339.464 3.896 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H](c2ccsc2)O1 ZINC000246408402 1028476887 /nfs/dbraw/zinc/47/68/87/1028476887.db2.gz JDILDMUWUQMWQZ-KXBFYZLASA-N 1 2 339.464 3.896 20 0 EHADLO COc1ccccc1[C@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000455565858 1028483038 /nfs/dbraw/zinc/48/30/38/1028483038.db2.gz XCCKALMEQQVTJG-GOSISDBHSA-N 1 2 339.439 3.754 20 0 EHADLO CO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC000072052468 1028497237 /nfs/dbraw/zinc/49/72/37/1028497237.db2.gz JCDRPVIDVWBBMW-QGZVFWFLSA-N 1 2 341.798 3.852 20 0 EHADLO O=C(C[NH2+]Cc1c(Cl)cccc1Cl)N1CCc2ccccc21 ZINC000729685106 1028499307 /nfs/dbraw/zinc/49/93/07/1028499307.db2.gz SRUFBHNSOXRMME-UHFFFAOYSA-N 1 2 335.234 3.672 20 0 EHADLO Cc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000072580720 1028506956 /nfs/dbraw/zinc/50/69/56/1028506956.db2.gz CTXBTMCMDFKXIV-UHFFFAOYSA-N 1 2 344.846 3.834 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000194336642 1028509846 /nfs/dbraw/zinc/50/98/46/1028509846.db2.gz RFANPFBJYTWKFY-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000194336642 1028509863 /nfs/dbraw/zinc/50/98/63/1028509863.db2.gz RFANPFBJYTWKFY-UHFFFAOYSA-N 1 2 334.872 3.750 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c[nH+]1 ZINC000455567160 1028516054 /nfs/dbraw/zinc/51/60/54/1028516054.db2.gz YRBFXOZPHZZNQL-NVXWUHKLSA-N 1 2 341.430 3.925 20 0 EHADLO Cc1ccc(SCCC(=O)NCCCCn2cc[nH+]c2)cc1C ZINC000523663043 1028522825 /nfs/dbraw/zinc/52/28/25/1028522825.db2.gz ZKEPCJMIVGQDCW-UHFFFAOYSA-N 1 2 331.485 3.579 20 0 EHADLO COc1ccc(SCCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421552758 1028552723 /nfs/dbraw/zinc/55/27/23/1028552723.db2.gz CAFBFYAOYAFFIN-UHFFFAOYSA-N 1 2 330.453 3.506 20 0 EHADLO O[C@@H](C[NH2+][C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1F ZINC000195069724 1028574656 /nfs/dbraw/zinc/57/46/56/1028574656.db2.gz POXVVXQURSHTAU-IRXDYDNUSA-N 1 2 346.402 3.834 20 0 EHADLO CC(C)c1ccccc1OCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195069479 1028575839 /nfs/dbraw/zinc/57/58/39/1028575839.db2.gz WGNHJWFZNZVRKR-IBGZPJMESA-N 1 2 336.439 3.686 20 0 EHADLO CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCCC1 ZINC000122345330 1028621666 /nfs/dbraw/zinc/62/16/66/1028621666.db2.gz VFACPKPTBNOWCB-UHFFFAOYSA-N 1 2 344.503 3.936 20 0 EHADLO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC001271792795 1028626200 /nfs/dbraw/zinc/62/62/00/1028626200.db2.gz RLFJDVVYPKCPSV-ZACQAIPSSA-N 1 2 346.519 3.648 20 0 EHADLO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC001271792795 1028626210 /nfs/dbraw/zinc/62/62/10/1028626210.db2.gz RLFJDVVYPKCPSV-ZACQAIPSSA-N 1 2 346.519 3.648 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(O)c(F)c1F ZINC001212007504 1028675892 /nfs/dbraw/zinc/67/58/92/1028675892.db2.gz JKSPJFVJSIZSJH-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@]2(CCOC2)O1 ZINC000475625530 1028683420 /nfs/dbraw/zinc/68/34/20/1028683420.db2.gz MSCNRKAATCLKIC-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@]2(CCOC2)O1 ZINC000475625530 1028683426 /nfs/dbraw/zinc/68/34/26/1028683426.db2.gz MSCNRKAATCLKIC-INIZCTEOSA-N 1 2 347.352 3.614 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000429739434 1028717662 /nfs/dbraw/zinc/71/76/62/1028717662.db2.gz RKWVFMLABNGKRE-HNNXBMFYSA-N 1 2 333.476 3.638 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cs1 ZINC000245480893 1028723542 /nfs/dbraw/zinc/72/35/42/1028723542.db2.gz XSOFWPXWUURKMW-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cs1 ZINC000245480893 1028723559 /nfs/dbraw/zinc/72/35/59/1028723559.db2.gz XSOFWPXWUURKMW-KDOFPFPSSA-N 1 2 346.496 3.722 20 0 EHADLO Cc1cccc2nc(C[N@@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000245474355 1028725135 /nfs/dbraw/zinc/72/51/35/1028725135.db2.gz QWYRNUPWONFUBM-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1cccc2nc(C[N@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000245474355 1028725146 /nfs/dbraw/zinc/72/51/46/1028725146.db2.gz QWYRNUPWONFUBM-IZHWHUGBSA-N 1 2 341.480 3.573 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000454330289 1028783673 /nfs/dbraw/zinc/78/36/73/1028783673.db2.gz INSSPRAHQQVERK-LJQANCHMSA-N 1 2 340.471 3.699 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000424122538 1028817451 /nfs/dbraw/zinc/81/74/51/1028817451.db2.gz GYMWXIQRMOPBFI-VHSXEESVSA-N 1 2 349.422 3.602 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000445477468 1028835101 /nfs/dbraw/zinc/83/51/01/1028835101.db2.gz ANQREDAAOSFBDJ-QFIPXVFZSA-N 1 2 330.840 3.893 20 0 EHADLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccncc1Cl ZINC000421851275 1028836762 /nfs/dbraw/zinc/83/67/62/1028836762.db2.gz GAHDZBWPGWHDIW-SNVBAGLBSA-N 1 2 327.762 3.625 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCc4ccccc43)no2)cc1 ZINC000248245168 1028862319 /nfs/dbraw/zinc/86/23/19/1028862319.db2.gz LJUOIZRVUAQMSG-GOSISDBHSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCc4ccccc43)no2)cc1 ZINC000248245168 1028862338 /nfs/dbraw/zinc/86/23/38/1028862338.db2.gz LJUOIZRVUAQMSG-GOSISDBHSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccccc1[C@@H](NCc1c[nH+]cn1C(C)C)c1ccccn1 ZINC000424160671 1028863390 /nfs/dbraw/zinc/86/33/90/1028863390.db2.gz RGULICKTWYMZQH-HXUWFJFHSA-N 1 2 336.439 3.747 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573132 1028864328 /nfs/dbraw/zinc/86/43/28/1028864328.db2.gz CTOYFZWKDJOUID-GDBMZVCRSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573132 1028864352 /nfs/dbraw/zinc/86/43/52/1028864352.db2.gz CTOYFZWKDJOUID-GDBMZVCRSA-N 1 2 336.794 3.637 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)[nH+]c12 ZINC000524103311 1028866019 /nfs/dbraw/zinc/86/60/19/1028866019.db2.gz URWDAYVSRTYZRM-ICSRJNTNSA-N 1 2 347.462 3.713 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421882625 1028889058 /nfs/dbraw/zinc/88/90/58/1028889058.db2.gz CINRVSPRKGKCFL-UHFFFAOYSA-N 1 2 342.487 3.690 20 0 EHADLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123420195 1028907597 /nfs/dbraw/zinc/90/75/97/1028907597.db2.gz GELOJBNIZCBFAZ-GJYPPUQNSA-N 1 2 343.446 3.701 20 0 EHADLO CCCC(CCC)S(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445552378 1028910294 /nfs/dbraw/zinc/91/02/94/1028910294.db2.gz WMNVGWAKPYUBCP-UHFFFAOYSA-N 1 2 334.485 3.815 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000198276400 1028912729 /nfs/dbraw/zinc/91/27/29/1028912729.db2.gz YXKUVALXIQQQCF-VXGBXAGGSA-N 1 2 347.871 3.527 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000198276400 1028912732 /nfs/dbraw/zinc/91/27/32/1028912732.db2.gz YXKUVALXIQQQCF-VXGBXAGGSA-N 1 2 347.871 3.527 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1)c1ccccc1 ZINC000248606850 1028926490 /nfs/dbraw/zinc/92/64/90/1028926490.db2.gz WKDJEVUZCLEVKL-RYQLBKOJSA-N 1 2 344.455 3.603 20 0 EHADLO Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343078270 1029003556 /nfs/dbraw/zinc/00/35/56/1029003556.db2.gz KSGDZMXHZTWJIL-UHFFFAOYSA-N 1 2 348.740 3.638 20 0 EHADLO COCc1csc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000664385263 1029020839 /nfs/dbraw/zinc/02/08/39/1029020839.db2.gz SVMSQZNPOYSJML-UHFFFAOYSA-N 1 2 342.262 3.676 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000076715361 1029036669 /nfs/dbraw/zinc/03/66/69/1029036669.db2.gz RYFSFKODORRHLS-HNNXBMFYSA-N 1 2 329.444 3.622 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000454554639 1029037275 /nfs/dbraw/zinc/03/72/75/1029037275.db2.gz RWGYQKLTLXLNOS-BBRMVZONSA-N 1 2 347.821 3.846 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000076731408 1029040732 /nfs/dbraw/zinc/04/07/32/1029040732.db2.gz IJDHYSFIODFNOA-ZDUSSCGKSA-N 1 2 333.407 3.718 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000076731408 1029040735 /nfs/dbraw/zinc/04/07/35/1029040735.db2.gz IJDHYSFIODFNOA-ZDUSSCGKSA-N 1 2 333.407 3.718 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000532926685 1029048729 /nfs/dbraw/zinc/04/87/29/1029048729.db2.gz VAGGDQCCLUGHMT-CABCVRRESA-N 1 2 326.440 3.666 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000532926685 1029048749 /nfs/dbraw/zinc/04/87/49/1029048749.db2.gz VAGGDQCCLUGHMT-CABCVRRESA-N 1 2 326.440 3.666 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3cc(Br)ccc32)n1 ZINC000393323336 1029061091 /nfs/dbraw/zinc/06/10/91/1029061091.db2.gz RIGKFVMYJGIMIT-CYBMUJFWSA-N 1 2 340.652 3.613 20 0 EHADLO O=C(C[NH+]1C2CCC1CC2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000532916000 1029066160 /nfs/dbraw/zinc/06/61/60/1029066160.db2.gz YRMVHHLHAMBAQV-UHFFFAOYSA-N 1 2 349.406 3.654 20 0 EHADLO CCn1ncc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1C1CC1 ZINC000640251608 1029083407 /nfs/dbraw/zinc/08/34/07/1029083407.db2.gz AAAZVXUOJFZORQ-UHFFFAOYSA-N 1 2 335.411 3.731 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000583170755 1029106784 /nfs/dbraw/zinc/10/67/84/1029106784.db2.gz MDKXPTJTFGYRJS-INIZCTEOSA-N 1 2 327.415 3.968 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000583170755 1029106793 /nfs/dbraw/zinc/10/67/93/1029106793.db2.gz MDKXPTJTFGYRJS-INIZCTEOSA-N 1 2 327.415 3.968 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000154311517 1029107529 /nfs/dbraw/zinc/10/75/29/1029107529.db2.gz XZDCUEWHKHLAOJ-UYAOXDASSA-N 1 2 337.467 3.883 20 0 EHADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nccs1 ZINC000077417432 1029115021 /nfs/dbraw/zinc/11/50/21/1029115021.db2.gz CLCKVMPVTSNQJO-UHFFFAOYSA-N 1 2 346.887 3.948 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cncn2Cc2ccccc2)cs1 ZINC000445777089 1029116494 /nfs/dbraw/zinc/11/64/94/1029116494.db2.gz WSKDQQCWGHHSFH-AWEZNQCLSA-N 1 2 326.469 3.801 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000271703615 1029130953 /nfs/dbraw/zinc/13/09/53/1029130953.db2.gz SYNSIMNWORIJIF-VIFPVBQESA-N 1 2 331.363 3.638 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000505062560 1029167056 /nfs/dbraw/zinc/16/70/56/1029167056.db2.gz LOOLWOIHVJJIAW-PKOBYXMFSA-N 1 2 325.456 3.876 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124237510 1029167699 /nfs/dbraw/zinc/16/76/99/1029167699.db2.gz ZDJOAHIOJMNIGI-TXPKVOOTSA-N 1 2 343.446 3.701 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1nc2cc(Cl)ccc2s1)C1CC1 ZINC000271790239 1029171420 /nfs/dbraw/zinc/17/14/20/1029171420.db2.gz IWOYVRCEKDFPEA-OAHLLOKOSA-N 1 2 332.860 3.924 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cs1 ZINC000271796141 1029174124 /nfs/dbraw/zinc/17/41/24/1029174124.db2.gz KCAREWOPUJKYFK-GOEBONIOSA-N 1 2 343.496 3.718 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccnn1-c1ccccc1 ZINC000343438531 1029186551 /nfs/dbraw/zinc/18/65/51/1029186551.db2.gz CZZLIOXMMDXQFP-KRWDZBQOSA-N 1 2 343.434 3.909 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245736203 1029204074 /nfs/dbraw/zinc/20/40/74/1029204074.db2.gz SYKGMTZRSIDHDE-FGTMMUONSA-N 1 2 341.499 3.773 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000161606869 1029256003 /nfs/dbraw/zinc/25/60/03/1029256003.db2.gz WLMGTBNOYSBTMA-IPMKNSEASA-N 1 2 341.499 3.905 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(Br)s1 ZINC000533068621 1029262467 /nfs/dbraw/zinc/26/24/67/1029262467.db2.gz QUWTXRSEQJSUHW-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Br)s1 ZINC000533068621 1029262484 /nfs/dbraw/zinc/26/24/84/1029262484.db2.gz QUWTXRSEQJSUHW-CQSZACIVSA-N 1 2 338.270 3.602 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000272080253 1029302299 /nfs/dbraw/zinc/30/22/99/1029302299.db2.gz FRHBVODMJZOKLD-QAPCUYQASA-N 1 2 326.444 3.502 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000446004728 1029303098 /nfs/dbraw/zinc/30/30/98/1029303098.db2.gz WFBLZUOUTLYJSD-FVQBIDKESA-N 1 2 341.373 3.883 20 0 EHADLO CC(C)(O)C[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000272120568 1029319065 /nfs/dbraw/zinc/31/90/65/1029319065.db2.gz TVBMIDWPCQZYOX-UHFFFAOYSA-N 1 2 337.423 3.510 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000272120568 1029319081 /nfs/dbraw/zinc/31/90/81/1029319081.db2.gz TVBMIDWPCQZYOX-UHFFFAOYSA-N 1 2 337.423 3.510 20 0 EHADLO CC(Cl)(Cl)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000272237821 1029373681 /nfs/dbraw/zinc/37/36/81/1029373681.db2.gz XYLWYBUCYDMDTC-UHFFFAOYSA-N 1 2 336.222 3.734 20 0 EHADLO CC(C)C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458444932 1029382280 /nfs/dbraw/zinc/38/22/80/1029382280.db2.gz PQGKIJJCQCRLPW-QGZVFWFLSA-N 1 2 348.878 3.703 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000124996102 1029390247 /nfs/dbraw/zinc/39/02/47/1029390247.db2.gz DBRIYUVTJIVWEJ-UHFFFAOYSA-N 1 2 330.432 3.614 20 0 EHADLO [NH3+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1Br ZINC001212089025 1029390431 /nfs/dbraw/zinc/39/04/31/1029390431.db2.gz RLJSXGGIBWRDCY-ZDUSSCGKSA-N 1 2 330.185 3.547 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(Cl)nc1 ZINC000272294258 1029401847 /nfs/dbraw/zinc/40/18/47/1029401847.db2.gz SKURJPIRDRADKN-MJBXVCDLSA-N 1 2 346.862 3.917 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000125063032 1029408353 /nfs/dbraw/zinc/40/83/53/1029408353.db2.gz GSRVKHZSXWGAQY-RKVPGOIHSA-N 1 2 329.419 3.626 20 0 EHADLO C[C@@](O)(C[NH2+][C@H](CCc1ccccc1)C(F)F)c1cccs1 ZINC000272348562 1029426805 /nfs/dbraw/zinc/42/68/05/1029426805.db2.gz ODVGYLALLHGMRP-RHSMWYFYSA-N 1 2 325.424 3.812 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c(C)[nH]1 ZINC000261396290 1029442437 /nfs/dbraw/zinc/44/24/37/1029442437.db2.gz ZCLWJQFSYMPJHM-UHFFFAOYSA-N 1 2 340.467 3.974 20 0 EHADLO C[C@H]1CC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H](C)C1 ZINC000272437226 1029459456 /nfs/dbraw/zinc/45/94/56/1029459456.db2.gz KPJHELJRZKREFM-HZPDHXFCSA-N 1 2 325.456 3.620 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000533208814 1029465639 /nfs/dbraw/zinc/46/56/39/1029465639.db2.gz PAQOZLMMSRPYPY-WRUMOOJNSA-N 1 2 341.499 3.733 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000533208814 1029465643 /nfs/dbraw/zinc/46/56/43/1029465643.db2.gz PAQOZLMMSRPYPY-WRUMOOJNSA-N 1 2 341.499 3.733 20 0 EHADLO S=c1n(C[N@@H+]2CCC[C@H]2C2CC2)nc(N2CCCCC2)n1C1CC1 ZINC000728559227 1029488671 /nfs/dbraw/zinc/48/86/71/1029488671.db2.gz DIFTYVQHSVYYBV-INIZCTEOSA-N 1 2 347.532 3.571 20 0 EHADLO S=c1n(C[N@H+]2CCC[C@H]2C2CC2)nc(N2CCCCC2)n1C1CC1 ZINC000728559227 1029488675 /nfs/dbraw/zinc/48/86/75/1029488675.db2.gz DIFTYVQHSVYYBV-INIZCTEOSA-N 1 2 347.532 3.571 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC000454949741 1029489219 /nfs/dbraw/zinc/48/92/19/1029489219.db2.gz BFXAVBJWPQXJDC-UKRRQHHQSA-N 1 2 343.393 3.866 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+](C)CCCc2c(F)cccc2Cl)n1 ZINC000278176079 1029505867 /nfs/dbraw/zinc/50/58/67/1029505867.db2.gz GGUQLPKZKWNKJC-LLVKDONJSA-N 1 2 341.814 3.634 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+](C)CCCc2c(F)cccc2Cl)n1 ZINC000278176079 1029505877 /nfs/dbraw/zinc/50/58/77/1029505877.db2.gz GGUQLPKZKWNKJC-LLVKDONJSA-N 1 2 341.814 3.634 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000078961709 1029507631 /nfs/dbraw/zinc/50/76/31/1029507631.db2.gz FTDMHNJKZFHIHS-GOSISDBHSA-N 1 2 325.456 3.915 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000078961709 1029507637 /nfs/dbraw/zinc/50/76/37/1029507637.db2.gz FTDMHNJKZFHIHS-GOSISDBHSA-N 1 2 325.456 3.915 20 0 EHADLO c1coc([C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)N2CCCC2)c1 ZINC000125504546 1029533474 /nfs/dbraw/zinc/53/34/74/1029533474.db2.gz WVIBRBUQRWKEQU-HKUYNNGSSA-N 1 2 336.439 3.519 20 0 EHADLO CC(C)(C)C1CC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000455013554 1029550571 /nfs/dbraw/zinc/55/05/71/1029550571.db2.gz GXUOKLBVCUNBDS-UHFFFAOYSA-N 1 2 346.519 3.910 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@@H]3CCc4c3cccc4F)c[nH+]2)C[C@H](C)O1 ZINC000513869066 1029559622 /nfs/dbraw/zinc/55/96/22/1029559622.db2.gz GEAJATRQZTVYCW-BIENJYKASA-N 1 2 341.430 3.934 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H](C2CC2)C1 ZINC000343162708 1029561057 /nfs/dbraw/zinc/56/10/57/1029561057.db2.gz IETXKOPQSMHJRB-MRXNPFEDSA-N 1 2 348.450 3.866 20 0 EHADLO COc1ccc([C@H]2CC[N@H+](Cc3nn(C)c(C)c3Cl)C2)cc1F ZINC000628483258 1029581272 /nfs/dbraw/zinc/58/12/72/1029581272.db2.gz KBCJXWVBQDKNEQ-ZDUSSCGKSA-N 1 2 337.826 3.519 20 0 EHADLO COc1ccc([C@H]2CC[N@@H+](Cc3nn(C)c(C)c3Cl)C2)cc1F ZINC000628483258 1029581280 /nfs/dbraw/zinc/58/12/80/1029581280.db2.gz KBCJXWVBQDKNEQ-ZDUSSCGKSA-N 1 2 337.826 3.519 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cs1 ZINC000524971587 1029641759 /nfs/dbraw/zinc/64/17/59/1029641759.db2.gz REIIWNROVQQLOO-CABCVRRESA-N 1 2 334.485 3.624 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cs1 ZINC000524971587 1029641766 /nfs/dbraw/zinc/64/17/66/1029641766.db2.gz REIIWNROVQQLOO-CABCVRRESA-N 1 2 334.485 3.624 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1oc(CC)nc1C)CC2 ZINC000428447030 1029689086 /nfs/dbraw/zinc/68/90/86/1029689086.db2.gz NGQQGWALGWBTNZ-UHFFFAOYSA-N 1 2 344.455 3.901 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1oc(CC)nc1C)CC2 ZINC000428447030 1029689093 /nfs/dbraw/zinc/68/90/93/1029689093.db2.gz NGQQGWALGWBTNZ-UHFFFAOYSA-N 1 2 344.455 3.901 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155996635 1029720191 /nfs/dbraw/zinc/72/01/91/1029720191.db2.gz BFLDRAJIYQROPP-VQTJNVASSA-N 1 2 345.446 3.546 20 0 EHADLO CC(C)(C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000525171094 1029728450 /nfs/dbraw/zinc/72/84/50/1029728450.db2.gz XLHRXIHTGCAIMG-HNNXBMFYSA-N 1 2 339.361 3.638 20 0 EHADLO CCCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(OC)cc1 ZINC000583383921 1029739190 /nfs/dbraw/zinc/73/91/90/1029739190.db2.gz YJSAGHCUHOSLGA-QFBILLFUSA-N 1 2 341.455 3.502 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(SCCOC)cc2)n1 ZINC000114751809 1029741466 /nfs/dbraw/zinc/74/14/66/1029741466.db2.gz LWTDLUUTPWWDAM-OLZOCXBDSA-N 1 2 335.473 3.782 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(SCCOC)cc2)n1 ZINC000114751805 1029742195 /nfs/dbraw/zinc/74/21/95/1029742195.db2.gz LWTDLUUTPWWDAM-STQMWFEESA-N 1 2 335.473 3.782 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1CC(F)(F)F ZINC000525229608 1029754031 /nfs/dbraw/zinc/75/40/31/1029754031.db2.gz VEPUXIFBILMYOK-UHFFFAOYSA-N 1 2 340.349 3.590 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCN1CCCC1=O ZINC000446728969 1029777135 /nfs/dbraw/zinc/77/71/35/1029777135.db2.gz NFDXFCBVVOVLET-NSHDSACASA-N 1 2 327.255 3.535 20 0 EHADLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCN1CCCC1=O ZINC000446728969 1029777142 /nfs/dbraw/zinc/77/71/42/1029777142.db2.gz NFDXFCBVVOVLET-NSHDSACASA-N 1 2 327.255 3.535 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2c1 ZINC000080283073 1029777757 /nfs/dbraw/zinc/77/77/57/1029777757.db2.gz KGUPDPCQXQPCCH-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1oc(CC)nc1C ZINC000428453026 1029803471 /nfs/dbraw/zinc/80/34/71/1029803471.db2.gz DWINVUJUSMZKSO-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1oc(CC)nc1C ZINC000428453026 1029803481 /nfs/dbraw/zinc/80/34/81/1029803481.db2.gz DWINVUJUSMZKSO-UHFFFAOYSA-N 1 2 329.444 3.705 20 0 EHADLO CN(CCCNC(=O)C1CCC1)c1cc[nH+]c2c(Cl)cccc12 ZINC000343221058 1029804028 /nfs/dbraw/zinc/80/40/28/1029804028.db2.gz CBSKVMPGOOJOES-UHFFFAOYSA-N 1 2 331.847 3.631 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000446839883 1029822151 /nfs/dbraw/zinc/82/21/51/1029822151.db2.gz CICHDAMANLIVTM-CQSZACIVSA-N 1 2 338.386 3.962 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)nc(N)c2c1C ZINC000093191642 1029825925 /nfs/dbraw/zinc/82/59/25/1029825925.db2.gz GDTHBKBPQPEPBP-CYBMUJFWSA-N 1 2 327.457 3.556 20 0 EHADLO Cc1sc2nc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)nc(N)c2c1C ZINC000093191642 1029825932 /nfs/dbraw/zinc/82/59/32/1029825932.db2.gz GDTHBKBPQPEPBP-CYBMUJFWSA-N 1 2 327.457 3.556 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000525460110 1029857641 /nfs/dbraw/zinc/85/76/41/1029857641.db2.gz LMBNXSPNNGKHQD-LSDHHAIUSA-N 1 2 342.439 3.724 20 0 EHADLO Cc1cc(Cl)c(NC(=O)NCCCNc2cccc[nH+]2)cc1C ZINC000455729542 1029865180 /nfs/dbraw/zinc/86/51/80/1029865180.db2.gz DWOFKLRXKZHQNA-UHFFFAOYSA-N 1 2 332.835 3.976 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)o1 ZINC000533818332 1029866290 /nfs/dbraw/zinc/86/62/90/1029866290.db2.gz KASMVXNWCSGQKD-IBGZPJMESA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCc3ccccc3[C@@H]2CO)o1 ZINC000533818332 1029866294 /nfs/dbraw/zinc/86/62/94/1029866294.db2.gz KASMVXNWCSGQKD-IBGZPJMESA-N 1 2 334.419 3.742 20 0 EHADLO COc1cc(C)[nH+]c(CN(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000536038948 1029867586 /nfs/dbraw/zinc/86/75/86/1029867586.db2.gz NRTPGAXONKTWNU-UHFFFAOYSA-N 1 2 340.345 3.929 20 0 EHADLO CC(C)[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000446949159 1029869853 /nfs/dbraw/zinc/86/98/53/1029869853.db2.gz TUQFMIZVTIANQV-CQSZACIVSA-N 1 2 336.505 3.639 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975422 1029878126 /nfs/dbraw/zinc/87/81/26/1029878126.db2.gz RARLINPTPAHHER-OTYXRUKQSA-N 1 2 348.365 3.571 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1)C(F)(F)F ZINC000446975422 1029878129 /nfs/dbraw/zinc/87/81/29/1029878129.db2.gz RARLINPTPAHHER-OTYXRUKQSA-N 1 2 348.365 3.571 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000536041298 1029878564 /nfs/dbraw/zinc/87/85/64/1029878564.db2.gz BOHLRKDDEPDEQL-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000536041298 1029878569 /nfs/dbraw/zinc/87/85/69/1029878569.db2.gz BOHLRKDDEPDEQL-UHFFFAOYSA-N 1 2 331.847 3.893 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000080221096 1029881415 /nfs/dbraw/zinc/88/14/15/1029881415.db2.gz FCZYHRKNYNKOGI-UHFFFAOYSA-N 1 2 326.787 3.790 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156604555 1029887237 /nfs/dbraw/zinc/88/72/37/1029887237.db2.gz UKJDNNBRVYXZFA-RDTXWAMCSA-N 1 2 344.842 3.594 20 0 EHADLO O=C(C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)NC(C1CC1)C1CC1 ZINC000481756852 1029905545 /nfs/dbraw/zinc/90/55/45/1029905545.db2.gz OYCKKQDPOMPSIN-UHFFFAOYSA-N 1 2 344.886 3.734 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)NC(C1CC1)C1CC1 ZINC000481756852 1029905559 /nfs/dbraw/zinc/90/55/59/1029905559.db2.gz OYCKKQDPOMPSIN-UHFFFAOYSA-N 1 2 344.886 3.734 20 0 EHADLO C[C@H]1CC[C@@H](N(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000428687265 1029910864 /nfs/dbraw/zinc/91/08/64/1029910864.db2.gz DGECQILJDNFLHF-DZGCQCFKSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1ccc(C(F)(F)F)c(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000667942635 1029920766 /nfs/dbraw/zinc/92/07/66/1029920766.db2.gz MCXPJZWLWPSHNL-UHFFFAOYSA-N 1 2 340.349 3.764 20 0 EHADLO CCn1nccc1C[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000429717835 1029948253 /nfs/dbraw/zinc/94/82/53/1029948253.db2.gz MPXZUIOABRBJDQ-UHFFFAOYSA-N 1 2 348.450 3.787 20 0 EHADLO CCn1nccc1C[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000429717835 1029948269 /nfs/dbraw/zinc/94/82/69/1029948269.db2.gz MPXZUIOABRBJDQ-UHFFFAOYSA-N 1 2 348.450 3.787 20 0 EHADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCCc2ccccc21 ZINC000531891758 1029987974 /nfs/dbraw/zinc/98/79/74/1029987974.db2.gz GZPLSCIUDSSZRU-SFHVURJKSA-N 1 2 334.423 3.553 20 0 EHADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000171374410 1030050703 /nfs/dbraw/zinc/05/07/03/1030050703.db2.gz LEHSYMJSTXMPAL-HOTGVXAUSA-N 1 2 333.476 3.558 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000453331196 1030066789 /nfs/dbraw/zinc/06/67/89/1030066789.db2.gz XOOHRNQGCFWNSZ-SNVBAGLBSA-N 1 2 347.768 3.865 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000120600426 1030070450 /nfs/dbraw/zinc/07/04/50/1030070450.db2.gz FJRKZBKBBVJPHR-QGZVFWFLSA-N 1 2 338.455 3.607 20 0 EHADLO COCCCOC1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090094973 1030072487 /nfs/dbraw/zinc/07/24/87/1030072487.db2.gz STOWBTOOLPYEKU-UHFFFAOYSA-N 1 2 335.492 3.745 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cnc(C)cc2C)nnn1-c1ccc(C)cc1 ZINC000453339136 1030120579 /nfs/dbraw/zinc/12/05/79/1030120579.db2.gz BIONJRYBJVXCFJ-MRXNPFEDSA-N 1 2 335.455 3.747 20 0 EHADLO CCc1cnc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000525784160 1030122572 /nfs/dbraw/zinc/12/25/72/1030122572.db2.gz KGIDJXQKZFGGNM-CQSZACIVSA-N 1 2 333.863 3.769 20 0 EHADLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000120911294 1030146528 /nfs/dbraw/zinc/14/65/28/1030146528.db2.gz HDPMLKKBIONJES-KRWDZBQOSA-N 1 2 344.842 3.693 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c(OC(C)C)c1 ZINC000447380933 1030152020 /nfs/dbraw/zinc/15/20/20/1030152020.db2.gz GAFYNCZIRJTLGE-HXUWFJFHSA-N 1 2 340.467 3.701 20 0 EHADLO c1[nH+]cn(Cc2ccccc2)c1CN1CCOC[C@H]1c1ccccc1 ZINC000525833047 1030157142 /nfs/dbraw/zinc/15/71/42/1030157142.db2.gz HMCFCMAKYDHBDL-NRFANRHFSA-N 1 2 333.435 3.505 20 0 EHADLO COc1ccc([C@H]([NH2+][C@H](C)c2cn(C)nc2C)c2ccco2)cc1 ZINC000453406760 1030214873 /nfs/dbraw/zinc/21/48/73/1030214873.db2.gz PLFWXWZMDWNXBP-YJYMSZOUSA-N 1 2 325.412 3.770 20 0 EHADLO Cc1ccc(C)c(OCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000091211773 1030242107 /nfs/dbraw/zinc/24/21/07/1030242107.db2.gz HZFYDCUOMCHYRP-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO CC(C)n1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000657773925 1030269115 /nfs/dbraw/zinc/26/91/15/1030269115.db2.gz WHSOVORKUCDTQY-AWEZNQCLSA-N 1 2 328.243 3.594 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)c1ccc(Cl)cc1 ZINC000647301565 1030318425 /nfs/dbraw/zinc/31/84/25/1030318425.db2.gz CQNZSCAXENAWON-FZKQIMNGSA-N 1 2 333.863 3.911 20 0 EHADLO CCc1noc([C@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000091865128 1030320037 /nfs/dbraw/zinc/32/00/37/1030320037.db2.gz KWYCOCNCOAUEKO-ZDUSSCGKSA-N 1 2 333.407 3.513 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](C)Cc2cc(Cl)cn2C)s1 ZINC000091930523 1030337424 /nfs/dbraw/zinc/33/74/24/1030337424.db2.gz LPTOLSRUCZBYMC-UHFFFAOYSA-N 1 2 326.897 3.613 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](C)Cc2cc(Cl)cn2C)s1 ZINC000091930523 1030337439 /nfs/dbraw/zinc/33/74/39/1030337439.db2.gz LPTOLSRUCZBYMC-UHFFFAOYSA-N 1 2 326.897 3.613 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000668008827 1030342104 /nfs/dbraw/zinc/34/21/04/1030342104.db2.gz FAYLUQQYHXQUKM-UHFFFAOYSA-N 1 2 329.391 3.880 20 0 EHADLO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121757701 1030356653 /nfs/dbraw/zinc/35/66/53/1030356653.db2.gz MDQINMDNWNFNCI-QZTJIDSGSA-N 1 2 344.503 3.792 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000429719264 1030378530 /nfs/dbraw/zinc/37/85/30/1030378530.db2.gz UGJACJPQYYHDDQ-MRXNPFEDSA-N 1 2 339.395 3.670 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000429719264 1030378546 /nfs/dbraw/zinc/37/85/46/1030378546.db2.gz UGJACJPQYYHDDQ-MRXNPFEDSA-N 1 2 339.395 3.670 20 0 EHADLO CCOc1c(Br)cc(C[NH+]2CC(CC)C2)cc1OC ZINC000453600306 1030385616 /nfs/dbraw/zinc/38/56/16/1030385616.db2.gz DIGDESJCQTZLGB-UHFFFAOYSA-N 1 2 328.250 3.698 20 0 EHADLO Oc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000453616051 1030404518 /nfs/dbraw/zinc/40/45/18/1030404518.db2.gz RQYSOIJGAVIYSF-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000453616051 1030404531 /nfs/dbraw/zinc/40/45/31/1030404531.db2.gz RQYSOIJGAVIYSF-MRXNPFEDSA-N 1 2 333.229 3.887 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1cccc(F)c1 ZINC000378082448 1030421333 /nfs/dbraw/zinc/42/13/33/1030421333.db2.gz GZDFPCZICSHIAC-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)Cc1cccc(F)c1 ZINC000378082448 1030421350 /nfs/dbraw/zinc/42/13/50/1030421350.db2.gz GZDFPCZICSHIAC-CQSZACIVSA-N 1 2 329.419 3.524 20 0 EHADLO COCC[N@H+](Cc1c(F)cncc1Br)[C@@H]1CC[C@@H](C)C1 ZINC000668055420 1030460646 /nfs/dbraw/zinc/46/06/46/1030460646.db2.gz AQVJQTKQDNNNLS-VXGBXAGGSA-N 1 2 345.256 3.620 20 0 EHADLO COCC[N@@H+](Cc1c(F)cncc1Br)[C@@H]1CC[C@@H](C)C1 ZINC000668055420 1030460654 /nfs/dbraw/zinc/46/06/54/1030460654.db2.gz AQVJQTKQDNNNLS-VXGBXAGGSA-N 1 2 345.256 3.620 20 0 EHADLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583697015 1030478179 /nfs/dbraw/zinc/47/81/79/1030478179.db2.gz QGRAUTHDJDBWBM-OAHLLOKOSA-N 1 2 337.427 3.917 20 0 EHADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc2c(c1)CCCC2 ZINC000532225787 1030490262 /nfs/dbraw/zinc/49/02/62/1030490262.db2.gz RDUQUSUBRDBIKT-LLVKDONJSA-N 1 2 334.261 3.902 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccn3)n2)cc1F ZINC000532268001 1030514560 /nfs/dbraw/zinc/51/45/60/1030514560.db2.gz XNGLHUINYYRRFB-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccn3)n2)cc1F ZINC000532268001 1030514567 /nfs/dbraw/zinc/51/45/67/1030514567.db2.gz XNGLHUINYYRRFB-MRXNPFEDSA-N 1 2 342.349 3.747 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1nc3c(s1)CCCC3)C2 ZINC000526987942 1030547615 /nfs/dbraw/zinc/54/76/15/1030547615.db2.gz JTJUSFYSXZKIMJ-LLVKDONJSA-N 1 2 344.484 3.612 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1nc3c(s1)CCCC3)CC2 ZINC000526987942 1030547624 /nfs/dbraw/zinc/54/76/24/1030547624.db2.gz JTJUSFYSXZKIMJ-LLVKDONJSA-N 1 2 344.484 3.612 20 0 EHADLO CCCC[N@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000060460377 1030559618 /nfs/dbraw/zinc/55/96/18/1030559618.db2.gz YZWOGPZMJFPMRA-UHFFFAOYSA-N 1 2 347.772 3.566 20 0 EHADLO CCCC[N@@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000060460377 1030559623 /nfs/dbraw/zinc/55/96/23/1030559623.db2.gz YZWOGPZMJFPMRA-UHFFFAOYSA-N 1 2 347.772 3.566 20 0 EHADLO Cc1ccc(OCc2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000569634268 1030580339 /nfs/dbraw/zinc/58/03/39/1030580339.db2.gz OZKRVKCZEXMHED-UHFFFAOYSA-N 1 2 334.379 3.504 20 0 EHADLO COCc1ccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000093337144 1030587647 /nfs/dbraw/zinc/58/76/47/1030587647.db2.gz XWNZRZOJKWCLQY-UHFFFAOYSA-N 1 2 335.451 3.710 20 0 EHADLO COCc1ccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000093337144 1030587654 /nfs/dbraw/zinc/58/76/54/1030587654.db2.gz XWNZRZOJKWCLQY-UHFFFAOYSA-N 1 2 335.451 3.710 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]CC(=O)N2CCCc3ccccc32)s1 ZINC000447946972 1030600136 /nfs/dbraw/zinc/60/01/36/1030600136.db2.gz ZIQDBUFTBNDQFI-UHFFFAOYSA-N 1 2 343.496 3.510 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C2CCC2)no1)[C@@H]1CCc2ccccc21 ZINC000639896220 1030610461 /nfs/dbraw/zinc/61/04/61/1030610461.db2.gz BCFBAFGHAGDJKT-KBXCAEBGSA-N 1 2 341.455 3.862 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C2CCC2)no1)[C@@H]1CCc2ccccc21 ZINC000639896220 1030610466 /nfs/dbraw/zinc/61/04/66/1030610466.db2.gz BCFBAFGHAGDJKT-KBXCAEBGSA-N 1 2 341.455 3.862 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194032959 1030642752 /nfs/dbraw/zinc/64/27/52/1030642752.db2.gz TZVJPTKBDHLGQD-PBHICJAKSA-N 1 2 344.434 3.732 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1OC ZINC000093660725 1030651856 /nfs/dbraw/zinc/65/18/56/1030651856.db2.gz YXCCQVWDHXNVSA-YJBOKZPZSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1OC ZINC000093660725 1030651871 /nfs/dbraw/zinc/65/18/71/1030651871.db2.gz YXCCQVWDHXNVSA-YJBOKZPZSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(Cc2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923750960 1030665941 /nfs/dbraw/zinc/66/59/41/1030665941.db2.gz KLRFAPLRPKXQLI-INIZCTEOSA-N 1 2 326.400 3.501 20 0 EHADLO COc1ccc(OC)c([C@@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000360053205 1030720700 /nfs/dbraw/zinc/72/07/00/1030720700.db2.gz CQFQMJLSXPFEJR-KUHUBIRLSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc(OC)c([C@@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000360053205 1030720717 /nfs/dbraw/zinc/72/07/17/1030720717.db2.gz CQFQMJLSXPFEJR-KUHUBIRLSA-N 1 2 326.440 3.541 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239019 1030728650 /nfs/dbraw/zinc/72/86/50/1030728650.db2.gz BXVUXZGJGVUCTI-KDOFPFPSSA-N 1 2 336.501 3.571 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cnc(C3CCCCC3)s1)CCO2 ZINC000527239019 1030728663 /nfs/dbraw/zinc/72/86/63/1030728663.db2.gz BXVUXZGJGVUCTI-KDOFPFPSSA-N 1 2 336.501 3.571 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000527243932 1030734620 /nfs/dbraw/zinc/73/46/20/1030734620.db2.gz AWMSRNJQFWHHBI-CVEARBPZSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000527243932 1030734630 /nfs/dbraw/zinc/73/46/30/1030734630.db2.gz AWMSRNJQFWHHBI-CVEARBPZSA-N 1 2 330.255 3.763 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000170989612 1030740963 /nfs/dbraw/zinc/74/09/63/1030740963.db2.gz CDYCKBBWYOWCKC-UONOGXRCSA-N 1 2 340.414 3.573 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000170989612 1030740977 /nfs/dbraw/zinc/74/09/77/1030740977.db2.gz CDYCKBBWYOWCKC-UONOGXRCSA-N 1 2 340.414 3.573 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)F)c1 ZINC000171423394 1030777423 /nfs/dbraw/zinc/77/74/23/1030777423.db2.gz FJFDGJBGTAKCBU-UHFFFAOYSA-N 1 2 341.361 3.799 20 0 EHADLO Cc1cc2cc(NC(=O)NCCCCNc3cccc[nH+]3)ccc2[nH]1 ZINC000171551401 1030794426 /nfs/dbraw/zinc/79/44/26/1030794426.db2.gz LSJWKISLTUQFMB-UHFFFAOYSA-N 1 2 337.427 3.885 20 0 EHADLO CCn1cnc(C[NH2+]Cc2ccc(Br)cc2Cl)c1 ZINC000902109922 1030795079 /nfs/dbraw/zinc/79/50/79/1030795079.db2.gz PVGITDVGWFITOT-UHFFFAOYSA-N 1 2 328.641 3.609 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(C)(C)CC(C)(C)C1)C2 ZINC000476675102 1030795496 /nfs/dbraw/zinc/79/54/96/1030795496.db2.gz JTNXGBQQZKXEDX-AWEZNQCLSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(C)(C)CC(C)(C)C1)CC2 ZINC000476675102 1030795502 /nfs/dbraw/zinc/79/55/02/1030795502.db2.gz JTNXGBQQZKXEDX-AWEZNQCLSA-N 1 2 331.504 3.923 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c(C)c[nH+]1 ZINC000527328512 1030799008 /nfs/dbraw/zinc/79/90/08/1030799008.db2.gz RZHGOCDUTABGFM-UHFFFAOYSA-N 1 2 334.341 3.809 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000246998609 1030814755 /nfs/dbraw/zinc/81/47/55/1030814755.db2.gz CZBJUEKSGDPTGQ-RYRKJORJSA-N 1 2 326.444 3.545 20 0 EHADLO Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c2nnc[nH]2)cc1 ZINC000550999683 1030879091 /nfs/dbraw/zinc/87/90/91/1030879091.db2.gz TYEXTMZGVVGACF-NZPGVSJUSA-N 1 2 328.435 3.982 20 0 EHADLO C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1c(F)cccc1F ZINC000668195774 1030923085 /nfs/dbraw/zinc/92/30/85/1030923085.db2.gz VBECJQRZJALKHR-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1c(F)cccc1F ZINC000668195774 1030923103 /nfs/dbraw/zinc/92/31/03/1030923103.db2.gz VBECJQRZJALKHR-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000115996080 1030957755 /nfs/dbraw/zinc/95/77/55/1030957755.db2.gz ZDMKHISDUUOJRW-HUUCEWRRSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000448334519 1030972032 /nfs/dbraw/zinc/97/20/32/1030972032.db2.gz ISXQGTBHAXNOJQ-UWJYYQICSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000448334519 1030972044 /nfs/dbraw/zinc/97/20/44/1030972044.db2.gz ISXQGTBHAXNOJQ-UWJYYQICSA-N 1 2 333.435 3.834 20 0 EHADLO Cc1cnccc1CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000583869424 1031000570 /nfs/dbraw/zinc/00/05/70/1031000570.db2.gz NQUUZGPBBGJNTB-SFHVURJKSA-N 1 2 333.439 3.555 20 0 EHADLO Cc1cnccc1CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000583869424 1031000588 /nfs/dbraw/zinc/00/05/88/1031000588.db2.gz NQUUZGPBBGJNTB-SFHVURJKSA-N 1 2 333.439 3.555 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483177652 1031012980 /nfs/dbraw/zinc/01/29/80/1031012980.db2.gz MLZXJVSIHOIPGF-YVEFUNNKSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483177652 1031012993 /nfs/dbraw/zinc/01/29/93/1031012993.db2.gz MLZXJVSIHOIPGF-YVEFUNNKSA-N 1 2 327.827 3.810 20 0 EHADLO Fc1ccc(C2(C[NH2+][C@@H](c3cccs3)c3nnc[nH]3)CC2)c(F)c1 ZINC000551087209 1031030704 /nfs/dbraw/zinc/03/07/04/1031030704.db2.gz NBGNHDBEYVYZJA-HNNXBMFYSA-N 1 2 346.406 3.555 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000527619723 1031043284 /nfs/dbraw/zinc/04/32/84/1031043284.db2.gz STEVNWNAQQIEMC-UHFFFAOYSA-N 1 2 336.414 3.846 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000527619723 1031043301 /nfs/dbraw/zinc/04/33/01/1031043301.db2.gz STEVNWNAQQIEMC-UHFFFAOYSA-N 1 2 336.414 3.846 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1nnc2n1CCCCC2 ZINC000924623285 1031050943 /nfs/dbraw/zinc/05/09/43/1031050943.db2.gz CUDWUZJIHQQMFS-SWLSCSKDSA-N 1 2 345.878 3.781 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625711 1031053255 /nfs/dbraw/zinc/05/32/55/1031053255.db2.gz VWEHLGLOYAWAJA-ZYHUDNBSSA-N 1 2 328.225 3.514 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)O1 ZINC000527625711 1031053276 /nfs/dbraw/zinc/05/32/76/1031053276.db2.gz VWEHLGLOYAWAJA-ZYHUDNBSSA-N 1 2 328.225 3.514 20 0 EHADLO Fc1cccc(Cc2noc(C[NH2+]C3(c4ccccc4)CCC3)n2)c1 ZINC000278484264 1031068904 /nfs/dbraw/zinc/06/89/04/1031068904.db2.gz IKXUAEAWHDSNRX-UHFFFAOYSA-N 1 2 337.398 3.969 20 0 EHADLO C[C@@H](N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1)C(F)(F)F ZINC000483268701 1031078590 /nfs/dbraw/zinc/07/85/90/1031078590.db2.gz LAGMOMGHERUZMT-CQSZACIVSA-N 1 2 342.405 3.544 20 0 EHADLO Cc1ccc2nc(C[NH2+]Cc3ccc(Br)cc3F)cn2c1 ZINC000551186681 1031090432 /nfs/dbraw/zinc/09/04/32/1031090432.db2.gz OTZMRNKZAIUNKV-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c(C)s1 ZINC000343491443 1031109035 /nfs/dbraw/zinc/10/90/35/1031109035.db2.gz GCFRMPXUIRBGEH-HACGYAERSA-N 1 2 343.496 3.710 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000527688956 1031121999 /nfs/dbraw/zinc/12/19/99/1031121999.db2.gz ZMVZUYPMRWNTCM-INIZCTEOSA-N 1 2 344.503 3.566 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483363824 1031130807 /nfs/dbraw/zinc/13/08/07/1031130807.db2.gz AANRKWGDJRNUOH-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483363824 1031130812 /nfs/dbraw/zinc/13/08/12/1031130812.db2.gz AANRKWGDJRNUOH-PBFPGSCMSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ncc(Br)cc1F ZINC000527708460 1031142681 /nfs/dbraw/zinc/14/26/81/1031142681.db2.gz IDONNSUAWWAFMN-PSLIRLAXSA-N 1 2 337.192 3.595 20 0 EHADLO CCOc1cc(Cl)ccc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000551237765 1031151037 /nfs/dbraw/zinc/15/10/37/1031151037.db2.gz ZJNHFYGHRXTIGB-UHFFFAOYSA-N 1 2 329.831 3.985 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1ccccc1 ZINC000343503725 1031152242 /nfs/dbraw/zinc/15/22/42/1031152242.db2.gz LJIFMLCHXJNBTA-IBGZPJMESA-N 1 2 344.430 3.534 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000483421585 1031154685 /nfs/dbraw/zinc/15/46/85/1031154685.db2.gz OCLFNODSBCOTQJ-LJQANCHMSA-N 1 2 348.368 3.706 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000483421585 1031154692 /nfs/dbraw/zinc/15/46/92/1031154692.db2.gz OCLFNODSBCOTQJ-LJQANCHMSA-N 1 2 348.368 3.706 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)cc1 ZINC000483437105 1031169154 /nfs/dbraw/zinc/16/91/54/1031169154.db2.gz KFAAXGCORQASGG-SFHVURJKSA-N 1 2 327.472 3.843 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)cc1 ZINC000483437105 1031169172 /nfs/dbraw/zinc/16/91/72/1031169172.db2.gz KFAAXGCORQASGG-SFHVURJKSA-N 1 2 327.472 3.843 20 0 EHADLO CCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@@H](CC)C(=O)OCC ZINC000483437141 1031170190 /nfs/dbraw/zinc/17/01/90/1031170190.db2.gz HAQWSBYAVWNRTF-KRWDZBQOSA-N 1 2 337.508 3.809 20 0 EHADLO CCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@@H](CC)C(=O)OCC ZINC000483437141 1031170201 /nfs/dbraw/zinc/17/02/01/1031170201.db2.gz HAQWSBYAVWNRTF-KRWDZBQOSA-N 1 2 337.508 3.809 20 0 EHADLO CCC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@@H](CC)C(=O)OCC ZINC000483438733 1031170737 /nfs/dbraw/zinc/17/07/37/1031170737.db2.gz YUIVNSXQSBGBOZ-INIZCTEOSA-N 1 2 347.484 3.759 20 0 EHADLO CCC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@@H](CC)C(=O)OCC ZINC000483438733 1031170747 /nfs/dbraw/zinc/17/07/47/1031170747.db2.gz YUIVNSXQSBGBOZ-INIZCTEOSA-N 1 2 347.484 3.759 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2ncc(Cl)cc2Br)cn1 ZINC000527716425 1031174886 /nfs/dbraw/zinc/17/48/86/1031174886.db2.gz MBVIJKBSOOUIIH-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477106745 1031259439 /nfs/dbraw/zinc/25/94/39/1031259439.db2.gz BEFMNRUSSDUFDY-KRWDZBQOSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477106745 1031259459 /nfs/dbraw/zinc/25/94/59/1031259459.db2.gz BEFMNRUSSDUFDY-KRWDZBQOSA-N 1 2 339.483 3.913 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000175304281 1031292780 /nfs/dbraw/zinc/29/27/80/1031292780.db2.gz MXPMEQSTBXORJM-CVEARBPZSA-N 1 2 344.503 3.659 20 0 EHADLO Cc1nc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc[nH+]1 ZINC000343546500 1031339295 /nfs/dbraw/zinc/33/92/95/1031339295.db2.gz GFKZWFJWMKNGGX-UHFFFAOYSA-N 1 2 337.254 3.809 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000350004136 1031347277 /nfs/dbraw/zinc/34/72/77/1031347277.db2.gz BKSZFPRDDBTLTP-UHFFFAOYSA-N 1 2 348.450 3.917 20 0 EHADLO COc1ccc[nH+]c1N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000527868069 1031352558 /nfs/dbraw/zinc/35/25/58/1031352558.db2.gz LLJYHUQUUOJLLY-INIZCTEOSA-N 1 2 332.407 3.517 20 0 EHADLO CCCCN(C)C(=O)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527848335 1031364895 /nfs/dbraw/zinc/36/48/95/1031364895.db2.gz CCRRVBLBNUTJJE-UHFFFAOYSA-N 1 2 325.456 3.710 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000483940140 1031403908 /nfs/dbraw/zinc/40/39/08/1031403908.db2.gz CWNCWDOZQKTSAO-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCc2c(Cl)cccc2C1 ZINC000483940140 1031403915 /nfs/dbraw/zinc/40/39/15/1031403915.db2.gz CWNCWDOZQKTSAO-GOSISDBHSA-N 1 2 326.827 3.652 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)n1 ZINC000527922322 1031412228 /nfs/dbraw/zinc/41/22/28/1031412228.db2.gz UXDGPJAQFHZPRJ-SNVBAGLBSA-N 1 2 333.486 3.642 20 0 EHADLO c1cc2c(ccnc2N2CCc3c([nH+]cn3CCc3ccccc3)C2)o1 ZINC000343571319 1031432012 /nfs/dbraw/zinc/43/20/12/1031432012.db2.gz IUBAJQHQFTUUBA-UHFFFAOYSA-N 1 2 344.418 3.830 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168152915 1031434892 /nfs/dbraw/zinc/43/48/92/1031434892.db2.gz CLNFWEIPSQQIGV-DOMZBBRYSA-N 1 2 329.893 3.545 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000551535791 1031435589 /nfs/dbraw/zinc/43/55/89/1031435589.db2.gz JGYPUGMZKFXDOX-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000343574328 1031451847 /nfs/dbraw/zinc/45/18/47/1031451847.db2.gz CUCCWPQZSQBSFB-SFHVURJKSA-N 1 2 328.460 3.515 20 0 EHADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000343574328 1031451855 /nfs/dbraw/zinc/45/18/55/1031451855.db2.gz CUCCWPQZSQBSFB-SFHVURJKSA-N 1 2 328.460 3.515 20 0 EHADLO O=C(NC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1)c1ccccc1 ZINC000527916976 1031453356 /nfs/dbraw/zinc/45/33/56/1031453356.db2.gz UUZPKMINGNMJNG-QGZVFWFLSA-N 1 2 345.446 3.881 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000083197586 1031481757 /nfs/dbraw/zinc/48/17/57/1031481757.db2.gz UYTGFXNXTUYHGE-IRXDYDNUSA-N 1 2 348.450 3.864 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1cnccn1 ZINC000527953740 1031488085 /nfs/dbraw/zinc/48/80/85/1031488085.db2.gz YALOIHOSYDZZRV-IUCAKERBSA-N 1 2 342.187 3.929 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC=CC[C@H]2C)c(C)c1 ZINC000551613568 1031492827 /nfs/dbraw/zinc/49/28/27/1031492827.db2.gz JWJRFUJZQQNDOT-NSISKUIASA-N 1 2 337.467 3.960 20 0 EHADLO c1ccn2c(c1)nnc2C[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527972407 1031505893 /nfs/dbraw/zinc/50/58/93/1031505893.db2.gz XDDJRDGVWGIHJR-INIZCTEOSA-N 1 2 343.434 3.737 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177790405 1031568295 /nfs/dbraw/zinc/56/82/95/1031568295.db2.gz INJWXXIELLIZQG-LBPRGKRZSA-N 1 2 344.365 3.515 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ncc(-c2ccccc2)s1 ZINC000177785238 1031568925 /nfs/dbraw/zinc/56/89/25/1031568925.db2.gz UTWGGOWNKYLGAG-UHFFFAOYSA-N 1 2 349.419 3.780 20 0 EHADLO CCCCOC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000343610961 1031615493 /nfs/dbraw/zinc/61/54/93/1031615493.db2.gz NNVNXKXZACUVAH-UHFFFAOYSA-N 1 2 327.266 3.625 20 0 EHADLO Cc1nc(-c2ccsc2)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178361684 1031686563 /nfs/dbraw/zinc/68/65/63/1031686563.db2.gz BIRUYHXIADIUDB-UHFFFAOYSA-N 1 2 348.431 3.696 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536141 1031687142 /nfs/dbraw/zinc/68/71/42/1031687142.db2.gz GEWMRJDJGXAAQT-VQTJNVASSA-N 1 2 345.483 3.648 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536141 1031687161 /nfs/dbraw/zinc/68/71/61/1031687161.db2.gz GEWMRJDJGXAAQT-VQTJNVASSA-N 1 2 345.483 3.648 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(C)c[nH+]1 ZINC000551872500 1031731947 /nfs/dbraw/zinc/73/19/47/1031731947.db2.gz NQIUPSYGPIXMQY-UHFFFAOYSA-N 1 2 327.384 3.635 20 0 EHADLO CCSCCCc1noc([C@@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904112441 1031736491 /nfs/dbraw/zinc/73/64/91/1031736491.db2.gz HMLCTSNKDZTCLX-ZDUSSCGKSA-N 1 2 345.390 3.822 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158943989 1031749715 /nfs/dbraw/zinc/74/97/15/1031749715.db2.gz GBPGJDNNKONBCZ-YOEHRIQHSA-N 1 2 344.842 3.594 20 0 EHADLO CCCCCc1nnc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000117570560 1031754003 /nfs/dbraw/zinc/75/40/03/1031754003.db2.gz FJVLRZOSOYBSNJ-UHFFFAOYSA-N 1 2 341.440 3.709 20 0 EHADLO CCCOc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117614772 1031781329 /nfs/dbraw/zinc/78/13/29/1031781329.db2.gz IEKSTFLUULPUKH-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO Cc1cc(N2C[C@@H](C)[C@H](CO)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000477696383 1031783775 /nfs/dbraw/zinc/78/37/75/1031783775.db2.gz CEUOJVOHSUDPTO-PWSUYJOCSA-N 1 2 340.345 3.506 20 0 EHADLO CCO[C@H](c1noc([C@@H](c2ccccc2)[NH+](C)C)n1)C1CCCC1 ZINC000904142893 1031790615 /nfs/dbraw/zinc/79/06/15/1031790615.db2.gz GBEQCLKKFLUVKV-SJORKVTESA-N 1 2 329.444 3.988 20 0 EHADLO CC(C)(CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000117672007 1031792902 /nfs/dbraw/zinc/79/29/02/1031792902.db2.gz HLPHQYZGMGJIED-UHFFFAOYSA-N 1 2 325.437 3.641 20 0 EHADLO FC(F)(F)C1(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000584138715 1031802513 /nfs/dbraw/zinc/80/25/13/1031802513.db2.gz ZMGJQRYXLUOJAS-UHFFFAOYSA-N 1 2 348.328 3.866 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)sc1C ZINC000086233246 1031814510 /nfs/dbraw/zinc/81/45/10/1031814510.db2.gz OWXMPFNGUQWHJV-LLVKDONJSA-N 1 2 333.457 3.771 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)sc1C ZINC000086233246 1031814523 /nfs/dbraw/zinc/81/45/23/1031814523.db2.gz OWXMPFNGUQWHJV-LLVKDONJSA-N 1 2 333.457 3.771 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(C(F)F)nc1 ZINC000657831060 1031832742 /nfs/dbraw/zinc/83/27/42/1031832742.db2.gz RDQYDFIDWWERJY-NEPJUHHUSA-N 1 2 335.402 3.749 20 0 EHADLO C[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccco1 ZINC000528145928 1031833444 /nfs/dbraw/zinc/83/34/44/1031833444.db2.gz JJNYTUVUHBJLIO-OAHLLOKOSA-N 1 2 339.395 3.687 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000052845748 1031845583 /nfs/dbraw/zinc/84/55/83/1031845583.db2.gz IZJUOTYQPFBIMN-LJQANCHMSA-N 1 2 338.838 3.901 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000052845748 1031845605 /nfs/dbraw/zinc/84/56/05/1031845605.db2.gz IZJUOTYQPFBIMN-LJQANCHMSA-N 1 2 338.838 3.901 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2F)c2cccc(F)c2)cn1 ZINC000180472970 1031859092 /nfs/dbraw/zinc/85/90/92/1031859092.db2.gz GQEOZGNSQSWJHE-SFHVURJKSA-N 1 2 331.341 3.717 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C2(c3c(F)cccc3F)CCC2)n1 ZINC000904267489 1031893506 /nfs/dbraw/zinc/89/35/06/1031893506.db2.gz DCOKAKQKPGZFAF-UHFFFAOYSA-N 1 2 342.349 3.770 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C2CCC(C(F)(F)F)CC2)n1 ZINC000904269040 1031895104 /nfs/dbraw/zinc/89/51/04/1031895104.db2.gz RFIXAGNTZGMTIA-UHFFFAOYSA-N 1 2 326.322 3.858 20 0 EHADLO CCC(CC)n1nc(-c2nc(-c3ccc(N)[nH+]c3C)no2)cc1C ZINC000904259882 1031904051 /nfs/dbraw/zinc/90/40/51/1031904051.db2.gz KVLMKXLOZCWRTA-UHFFFAOYSA-N 1 2 326.404 3.555 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(C2(c3ccc(F)cc3F)CCC2)n1 ZINC000904260580 1031905946 /nfs/dbraw/zinc/90/59/46/1031905946.db2.gz QEEDYXMCCLMKTQ-UHFFFAOYSA-N 1 2 342.349 3.770 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000180932044 1031924974 /nfs/dbraw/zinc/92/49/74/1031924974.db2.gz LOTYGJQXRKZKOK-MRXNPFEDSA-N 1 2 349.434 3.737 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000180932044 1031924987 /nfs/dbraw/zinc/92/49/87/1031924987.db2.gz LOTYGJQXRKZKOK-MRXNPFEDSA-N 1 2 349.434 3.737 20 0 EHADLO CC[N@H+](Cc1nc(COc2cccc(C(F)(F)F)c2)no1)C1CC1 ZINC000528228473 1031934183 /nfs/dbraw/zinc/93/41/83/1031934183.db2.gz BNEGJSCRNHCMKC-UHFFFAOYSA-N 1 2 341.333 3.652 20 0 EHADLO CC[N@@H+](Cc1nc(COc2cccc(C(F)(F)F)c2)no1)C1CC1 ZINC000528228473 1031934199 /nfs/dbraw/zinc/93/41/99/1031934199.db2.gz BNEGJSCRNHCMKC-UHFFFAOYSA-N 1 2 341.333 3.652 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628177303 1031971543 /nfs/dbraw/zinc/97/15/43/1031971543.db2.gz SNIAUWLKGBSUTP-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628177303 1031971557 /nfs/dbraw/zinc/97/15/57/1031971557.db2.gz SNIAUWLKGBSUTP-CQSZACIVSA-N 1 2 327.371 3.859 20 0 EHADLO CO[C@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000484812140 1031980119 /nfs/dbraw/zinc/98/01/19/1031980119.db2.gz SIEAHQSMWQABOB-NSHDSACASA-N 1 2 326.318 3.667 20 0 EHADLO CC[C@@H](C)NC(=O)c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000195118652 1032040096 /nfs/dbraw/zinc/04/00/96/1032040096.db2.gz BHHYURQIYPIHPJ-OAHLLOKOSA-N 1 2 336.439 3.783 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459400582 1032041074 /nfs/dbraw/zinc/04/10/74/1032041074.db2.gz MRSHMBSYXGSBCY-MJGOQNOKSA-N 1 2 342.443 3.518 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152525866 1032043483 /nfs/dbraw/zinc/04/34/83/1032043483.db2.gz OWVAWPORWTXDSX-ZLIFDBKOSA-N 1 2 336.838 3.697 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152525866 1032043496 /nfs/dbraw/zinc/04/34/96/1032043496.db2.gz OWVAWPORWTXDSX-ZLIFDBKOSA-N 1 2 336.838 3.697 20 0 EHADLO COCCc1noc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000181958073 1032048028 /nfs/dbraw/zinc/04/80/28/1032048028.db2.gz YATQFXBSHWMOGZ-XVJNWHFHSA-N 1 2 347.484 3.778 20 0 EHADLO COCCc1noc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000181958073 1032048043 /nfs/dbraw/zinc/04/80/43/1032048043.db2.gz YATQFXBSHWMOGZ-XVJNWHFHSA-N 1 2 347.484 3.778 20 0 EHADLO COc1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc2ccccc21 ZINC000449007703 1032050177 /nfs/dbraw/zinc/05/01/77/1032050177.db2.gz ASBWMYDSTSFHFB-UHFFFAOYSA-N 1 2 340.467 3.539 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000529039054 1033306887 /nfs/dbraw/zinc/30/68/87/1033306887.db2.gz HMNNOOAZONIMRM-LSDHHAIUSA-N 1 2 332.469 3.740 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057389 1033310241 /nfs/dbraw/zinc/31/02/41/1033310241.db2.gz QNFZZASSRQBHBE-RISCZKNCSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000761057389 1033310253 /nfs/dbraw/zinc/31/02/53/1033310253.db2.gz QNFZZASSRQBHBE-RISCZKNCSA-N 1 2 346.780 3.720 20 0 EHADLO O=C(CC1CC(F)(F)C1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000449851826 1033321545 /nfs/dbraw/zinc/32/15/45/1033321545.db2.gz WUFTVGVGYJYODR-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000607834377 1033325230 /nfs/dbraw/zinc/32/52/30/1033325230.db2.gz WZTXDUWTQOSIPC-CQSZACIVSA-N 1 2 339.826 3.946 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001142538318 1033355822 /nfs/dbraw/zinc/35/58/22/1033355822.db2.gz GCTACSPGFVZXHD-IINYFYTJSA-N 1 2 334.769 3.755 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001142538318 1033355831 /nfs/dbraw/zinc/35/58/31/1033355831.db2.gz GCTACSPGFVZXHD-IINYFYTJSA-N 1 2 334.769 3.755 20 0 EHADLO CCS[C@H]1CC[C@H]([N@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488391 1033370288 /nfs/dbraw/zinc/37/02/88/1033370288.db2.gz ZCMMIVVSSQNNJH-KBPBESRZSA-N 1 2 349.525 3.535 20 0 EHADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2c(-c3ccccn3)csc2=O)C1 ZINC000173488391 1033370300 /nfs/dbraw/zinc/37/03/00/1033370300.db2.gz ZCMMIVVSSQNNJH-KBPBESRZSA-N 1 2 349.525 3.535 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000170637534 1033372402 /nfs/dbraw/zinc/37/24/02/1033372402.db2.gz LPDCOSHEJPKGBB-UHFFFAOYSA-N 1 2 342.830 3.697 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cn1nccc1-c1cccnc1 ZINC000170637534 1033372410 /nfs/dbraw/zinc/37/24/10/1033372410.db2.gz LPDCOSHEJPKGBB-UHFFFAOYSA-N 1 2 342.830 3.697 20 0 EHADLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1Cc1cc[nH]n1 ZINC000685477398 1033381605 /nfs/dbraw/zinc/38/16/05/1033381605.db2.gz PJGPPXDRUHNTHT-STQMWFEESA-N 1 2 338.377 3.528 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@H]1F ZINC000898188737 1033385508 /nfs/dbraw/zinc/38/55/08/1033385508.db2.gz OQAZXDQKNIIBRE-RTBURBONSA-N 1 2 343.446 3.570 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C[C@H]1F ZINC000898188737 1033385526 /nfs/dbraw/zinc/38/55/26/1033385526.db2.gz OQAZXDQKNIIBRE-RTBURBONSA-N 1 2 343.446 3.570 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@@H]1c1ccccc1Cl)C2 ZINC001168285370 1033402883 /nfs/dbraw/zinc/40/28/83/1033402883.db2.gz FYVCRFCNJQNFDB-OXQOHEQNSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@@H]1c1ccccc1Cl)C2 ZINC001168285370 1033402893 /nfs/dbraw/zinc/40/28/93/1033402893.db2.gz FYVCRFCNJQNFDB-OXQOHEQNSA-N 1 2 343.854 3.889 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000449904237 1033405720 /nfs/dbraw/zinc/40/57/20/1033405720.db2.gz PMIZKQWGELYYEF-HHXXYDBFSA-N 1 2 344.499 3.838 20 0 EHADLO CC1=Nc2ccccc2C12CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC000898248598 1033406017 /nfs/dbraw/zinc/40/60/17/1033406017.db2.gz OQEGECQIOPKGST-OAHLLOKOSA-N 1 2 336.439 3.501 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(Nc3ccccc3)CC2)n1 ZINC000898313306 1033449893 /nfs/dbraw/zinc/44/98/93/1033449893.db2.gz XIBIHGIMPMEBPY-UHFFFAOYSA-N 1 2 344.484 3.568 20 0 EHADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000657903812 1033453278 /nfs/dbraw/zinc/45/32/78/1033453278.db2.gz XKCMGKUIQMFZBQ-KRWDZBQOSA-N 1 2 338.480 3.750 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCSC2CCCCC2)c1 ZINC000594629499 1033470494 /nfs/dbraw/zinc/47/04/94/1033470494.db2.gz RNNLKBCCXBBLIH-SFHVURJKSA-N 1 2 332.513 3.534 20 0 EHADLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCSC2CCCCC2)c1 ZINC000594629499 1033470505 /nfs/dbraw/zinc/47/05/05/1033470505.db2.gz RNNLKBCCXBBLIH-SFHVURJKSA-N 1 2 332.513 3.534 20 0 EHADLO COC(=O)c1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000594734190 1033508586 /nfs/dbraw/zinc/50/85/86/1033508586.db2.gz RQYCNXDCSDXAHY-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1csc(-c2ccc(F)cc2)n1 ZINC000460339659 1033511926 /nfs/dbraw/zinc/51/19/26/1033511926.db2.gz PHYOPZRKZMPHAL-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO CC(C)c1nn(C)c2sc(C(=O)Nc3ccc4[nH+]ccn4c3)cc12 ZINC000608133620 1033512288 /nfs/dbraw/zinc/51/22/88/1033512288.db2.gz ZRUATGKOSXEOCC-UHFFFAOYSA-N 1 2 339.424 3.658 20 0 EHADLO FC(F)c1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)ncn1 ZINC000892402703 1033522056 /nfs/dbraw/zinc/52/20/56/1033522056.db2.gz XFLSWWCSOHFSFX-UHFFFAOYSA-N 1 2 333.386 3.802 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1)c1cc2ccccc2o1 ZINC000174063717 1033533428 /nfs/dbraw/zinc/53/34/28/1033533428.db2.gz MSSPKYSDSJQKJW-UPJWGTAASA-N 1 2 343.452 3.806 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000131164612 1033538184 /nfs/dbraw/zinc/53/81/84/1033538184.db2.gz ABARRHQCRVOBAJ-ABAIWWIYSA-N 1 2 325.334 3.534 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000537525723 1033554415 /nfs/dbraw/zinc/55/44/15/1033554415.db2.gz YQGNGSAXEPGGHZ-TWMKSMIVSA-N 1 2 340.467 3.515 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000537525723 1033554422 /nfs/dbraw/zinc/55/44/22/1033554422.db2.gz YQGNGSAXEPGGHZ-TWMKSMIVSA-N 1 2 340.467 3.515 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H]4C[C@@H]43)cs2)c1 ZINC000761085303 1033594350 /nfs/dbraw/zinc/59/43/50/1033594350.db2.gz BSQNJBCJBWREPS-PBHICJAKSA-N 1 2 341.480 3.535 20 0 EHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CC[C@@H]4C[C@@H]43)cs2)c1 ZINC000761085303 1033594361 /nfs/dbraw/zinc/59/43/61/1033594361.db2.gz BSQNJBCJBWREPS-PBHICJAKSA-N 1 2 341.480 3.535 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000608333490 1033607307 /nfs/dbraw/zinc/60/73/07/1033607307.db2.gz BPUCKNLKYYIJDK-GFCCVEGCSA-N 1 2 333.461 3.506 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC000080537700 1033608646 /nfs/dbraw/zinc/60/86/46/1033608646.db2.gz ZEJVDTXPLYCRJO-GOSISDBHSA-N 1 2 343.471 3.966 20 0 EHADLO Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000685652104 1033675154 /nfs/dbraw/zinc/67/51/54/1033675154.db2.gz JJSZACYRBQCSKY-GOSISDBHSA-N 1 2 334.423 3.882 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cn3c(cccc3C)n1)C2 ZINC001168302502 1033677902 /nfs/dbraw/zinc/67/79/02/1033677902.db2.gz MTWRMRLCHHJMDA-UHFFFAOYSA-N 1 2 335.451 3.990 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](Cc1cn3c(cccc3C)n1)C2 ZINC001168302502 1033677914 /nfs/dbraw/zinc/67/79/14/1033677914.db2.gz MTWRMRLCHHJMDA-UHFFFAOYSA-N 1 2 335.451 3.990 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@@H]3C[C@@H]31)oc1ccccc12 ZINC000761092027 1033700384 /nfs/dbraw/zinc/70/03/84/1033700384.db2.gz KPGJNKRXEGLMMY-WBMJQRKESA-N 1 2 336.391 3.627 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@@H]3C[C@@H]31)oc1ccccc12 ZINC000761092027 1033700396 /nfs/dbraw/zinc/70/03/96/1033700396.db2.gz KPGJNKRXEGLMMY-WBMJQRKESA-N 1 2 336.391 3.627 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)c1 ZINC000476376958 1033701894 /nfs/dbraw/zinc/70/18/94/1033701894.db2.gz RXLBBBUMZRVVER-LRQRDZAKSA-N 1 2 344.499 3.583 20 0 EHADLO Cc1ccc(SCC[N@@H+](C)Cc2nnc3ccccn32)cc1C ZINC000081006570 1033703276 /nfs/dbraw/zinc/70/32/76/1033703276.db2.gz CULHSPSTAQKVCN-UHFFFAOYSA-N 1 2 326.469 3.570 20 0 EHADLO Cc1ccc(SCC[N@H+](C)Cc2nnc3ccccn32)cc1C ZINC000081006570 1033703292 /nfs/dbraw/zinc/70/32/92/1033703292.db2.gz CULHSPSTAQKVCN-UHFFFAOYSA-N 1 2 326.469 3.570 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120339317 1033710993 /nfs/dbraw/zinc/71/09/93/1033710993.db2.gz AEFVATGNGLLBNX-UHFFFAOYSA-N 1 2 339.370 3.760 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000529294443 1033756988 /nfs/dbraw/zinc/75/69/88/1033756988.db2.gz RLSKQNSPLJSEHV-UHFFFAOYSA-N 1 2 344.846 3.963 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000529294443 1033757000 /nfs/dbraw/zinc/75/70/00/1033757000.db2.gz RLSKQNSPLJSEHV-UHFFFAOYSA-N 1 2 344.846 3.963 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C3CCCC3)CC2)c1C ZINC000608566451 1033766709 /nfs/dbraw/zinc/76/67/09/1033766709.db2.gz RHEKWUVXFCOARE-UHFFFAOYSA-N 1 2 330.472 3.919 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000595427135 1033799502 /nfs/dbraw/zinc/79/95/02/1033799502.db2.gz RBZHMGBPWATUBK-BXUZGUMPSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000595427135 1033799511 /nfs/dbraw/zinc/79/95/11/1033799511.db2.gz RBZHMGBPWATUBK-BXUZGUMPSA-N 1 2 338.860 3.746 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCCOCC2)c(Br)c1 ZINC001140710178 1033821889 /nfs/dbraw/zinc/82/18/89/1033821889.db2.gz VWVUNQHVIVSKFR-UHFFFAOYSA-N 1 2 338.167 3.690 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCCOCC2)c(Br)c1 ZINC001140710178 1033821902 /nfs/dbraw/zinc/82/19/02/1033821902.db2.gz VWVUNQHVIVSKFR-UHFFFAOYSA-N 1 2 338.167 3.690 20 0 EHADLO C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@@H](C(F)(F)F)O1 ZINC000608752036 1033863522 /nfs/dbraw/zinc/86/35/22/1033863522.db2.gz ZXDWHXVOBZDWTF-FZMZJTMJSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@@H](C(F)(F)F)O1 ZINC000608752036 1033863532 /nfs/dbraw/zinc/86/35/32/1033863532.db2.gz ZXDWHXVOBZDWTF-FZMZJTMJSA-N 1 2 337.769 3.761 20 0 EHADLO Cc1nnsc1[C@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000929171187 1033913545 /nfs/dbraw/zinc/91/35/45/1033913545.db2.gz GCTBIWOPWDOZGW-JTQLQIEISA-N 1 2 331.363 3.938 20 0 EHADLO Cc1nnsc1[C@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000929171187 1033913553 /nfs/dbraw/zinc/91/35/53/1033913553.db2.gz GCTBIWOPWDOZGW-JTQLQIEISA-N 1 2 331.363 3.938 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc2[nH+]ccn2c1 ZINC000603785765 1033921352 /nfs/dbraw/zinc/92/13/52/1033921352.db2.gz YZRAMCANBGSRNB-UHFFFAOYSA-N 1 2 331.375 3.750 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cncs2)Cc2ccccc21 ZINC000595612063 1033921303 /nfs/dbraw/zinc/92/13/03/1033921303.db2.gz NRSCHWQLXJABQT-MRXNPFEDSA-N 1 2 330.453 3.584 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cncs2)Cc2ccccc21 ZINC000595612063 1033921310 /nfs/dbraw/zinc/92/13/10/1033921310.db2.gz NRSCHWQLXJABQT-MRXNPFEDSA-N 1 2 330.453 3.584 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000450220262 1033925545 /nfs/dbraw/zinc/92/55/45/1033925545.db2.gz YJXXZCJFNCLOCH-IBGZPJMESA-N 1 2 329.465 3.817 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000450220262 1033925558 /nfs/dbraw/zinc/92/55/58/1033925558.db2.gz YJXXZCJFNCLOCH-IBGZPJMESA-N 1 2 329.465 3.817 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443247 1033930166 /nfs/dbraw/zinc/93/01/66/1033930166.db2.gz KVMWCIWDCXXIPB-KRWDZBQOSA-N 1 2 334.366 3.730 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443247 1033930176 /nfs/dbraw/zinc/93/01/76/1033930176.db2.gz KVMWCIWDCXXIPB-KRWDZBQOSA-N 1 2 334.366 3.730 20 0 EHADLO O=C(CCCOc1ccccc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000603808881 1033939748 /nfs/dbraw/zinc/93/97/48/1033939748.db2.gz LMPNEOZYSXWKAP-UHFFFAOYSA-N 1 2 329.787 3.785 20 0 EHADLO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008674945 1033948649 /nfs/dbraw/zinc/94/86/49/1033948649.db2.gz DRBFMYRCQFDGHB-UHFFFAOYSA-N 1 2 332.407 3.589 20 0 EHADLO Cc1c([C@@H](C)Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)cnn1C ZINC000450239307 1033961199 /nfs/dbraw/zinc/96/11/99/1033961199.db2.gz DIPIEXYUVJLENT-SNVBAGLBSA-N 1 2 334.345 3.891 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(-n2cccc2)s1 ZINC000612064309 1033984711 /nfs/dbraw/zinc/98/47/11/1033984711.db2.gz UVYIOOBYNBIAHN-UHFFFAOYSA-N 1 2 340.452 3.590 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(-n2cccc2)s1 ZINC000612064309 1033984720 /nfs/dbraw/zinc/98/47/20/1033984720.db2.gz UVYIOOBYNBIAHN-UHFFFAOYSA-N 1 2 340.452 3.590 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000064113011 1034000868 /nfs/dbraw/zinc/00/08/68/1034000868.db2.gz KUPWYCBPMMPGNA-UHFFFAOYSA-N 1 2 327.424 3.574 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000064113011 1034000881 /nfs/dbraw/zinc/00/08/81/1034000881.db2.gz KUPWYCBPMMPGNA-UHFFFAOYSA-N 1 2 327.424 3.574 20 0 EHADLO CCS[C@H](C)c1noc(C[NH+]2CCC([C@H]3CCCCO3)CC2)n1 ZINC000595791169 1034002775 /nfs/dbraw/zinc/00/27/75/1034002775.db2.gz ZXZGTEALWCNJSP-UKRRQHHQSA-N 1 2 339.505 3.665 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3ccc(Br)cc3C)ccn12 ZINC001127201332 1034006343 /nfs/dbraw/zinc/00/63/43/1034006343.db2.gz DKZABCLJVVPXKW-UHFFFAOYSA-N 1 2 345.196 3.933 20 0 EHADLO COC(=O)CC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450267550 1034013520 /nfs/dbraw/zinc/01/35/20/1034013520.db2.gz CUUJGKWFPHBUDU-UHFFFAOYSA-N 1 2 336.794 3.807 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000596078674 1034071427 /nfs/dbraw/zinc/07/14/27/1034071427.db2.gz XSWCJGPYWWACBO-OAHLLOKOSA-N 1 2 328.412 3.824 20 0 EHADLO Cc1cc(CNC(=O)c2cc([C@@H](C)c3ccccc3)n[nH]2)cc(C)[nH+]1 ZINC000529495609 1034071773 /nfs/dbraw/zinc/07/17/73/1034071773.db2.gz HCCAUUYAHSBXNQ-HNNXBMFYSA-N 1 2 334.423 3.503 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H](C)c2cc3n(n2)CCC3)s1 ZINC000658226393 1034086010 /nfs/dbraw/zinc/08/60/10/1034086010.db2.gz OABYQHLCZNUZOJ-SNVBAGLBSA-N 1 2 340.290 3.813 20 0 EHADLO C[C@@H]1CC=C(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000456070196 1034089482 /nfs/dbraw/zinc/08/94/82/1034089482.db2.gz PVKNITJBKUSJOR-WBVHZDCISA-N 1 2 327.472 3.672 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc[nH+]1 ZINC000120759670 1034097351 /nfs/dbraw/zinc/09/73/51/1034097351.db2.gz YAKPYQSHZYSRJI-UHFFFAOYSA-N 1 2 345.402 3.919 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787107 1034104961 /nfs/dbraw/zinc/10/49/61/1034104961.db2.gz VGJRFVKHIQAEOW-JKSUJKDBSA-N 1 2 327.428 3.516 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3)n2)C12CCC2 ZINC000120787107 1034104970 /nfs/dbraw/zinc/10/49/70/1034104970.db2.gz VGJRFVKHIQAEOW-JKSUJKDBSA-N 1 2 327.428 3.516 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000450329665 1034112044 /nfs/dbraw/zinc/11/20/44/1034112044.db2.gz GUDRVUXBZCTIIH-LBPRGKRZSA-N 1 2 345.447 3.693 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000450329665 1034112047 /nfs/dbraw/zinc/11/20/47/1034112047.db2.gz GUDRVUXBZCTIIH-LBPRGKRZSA-N 1 2 345.447 3.693 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000669706910 1034141917 /nfs/dbraw/zinc/14/19/17/1034141917.db2.gz PIFCSIUPMLTXIJ-UHFFFAOYSA-N 1 2 344.430 3.555 20 0 EHADLO CC(C)c1cc(N2CCC[C@H](c3ccnn3C)C2)nc(C(C)C)[nH+]1 ZINC000534143660 1034161187 /nfs/dbraw/zinc/16/11/87/1034161187.db2.gz BPMHLWLWXKRLKA-HNNXBMFYSA-N 1 2 327.476 3.841 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179364507 1034173528 /nfs/dbraw/zinc/17/35/28/1034173528.db2.gz SJBDVGWTUXWRRQ-UIKNFJEQSA-N 1 2 336.838 3.697 20 0 EHADLO C/C(=C\C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179364507 1034173543 /nfs/dbraw/zinc/17/35/43/1034173543.db2.gz SJBDVGWTUXWRRQ-UIKNFJEQSA-N 1 2 336.838 3.697 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(CCCC(=O)c1ccc(F)cc1)C2 ZINC000450382601 1034207156 /nfs/dbraw/zinc/20/71/56/1034207156.db2.gz XSJFTXZGWOTSNW-UHFFFAOYSA-N 1 2 343.446 3.704 20 0 EHADLO CC[NH+](CC)[C@H](CNCc1nnc(C)s1)c1ccccc1Cl ZINC000892435173 1034247656 /nfs/dbraw/zinc/24/76/56/1034247656.db2.gz NCHGZAKGXWYBFY-OAHLLOKOSA-N 1 2 338.908 3.673 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@]4(C)CCc5ccccc54)n3)[nH+]c12 ZINC000647391890 1034276708 /nfs/dbraw/zinc/27/67/08/1034276708.db2.gz OYDAHNAAFUZSFE-NRFANRHFSA-N 1 2 344.418 3.869 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000120974637 1034276851 /nfs/dbraw/zinc/27/68/51/1034276851.db2.gz MBSGUNPPFZTAAF-ZFWWWQNUSA-N 1 2 337.533 3.826 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000120974637 1034276862 /nfs/dbraw/zinc/27/68/62/1034276862.db2.gz MBSGUNPPFZTAAF-ZFWWWQNUSA-N 1 2 337.533 3.826 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)c1 ZINC000604328389 1034329142 /nfs/dbraw/zinc/32/91/42/1034329142.db2.gz MXFJMIDKFISKFB-JKSUJKDBSA-N 1 2 332.488 3.583 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000529644222 1034340732 /nfs/dbraw/zinc/34/07/32/1034340732.db2.gz WXACWOZNCMSDSM-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO CCOc1cccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000529644222 1034340744 /nfs/dbraw/zinc/34/07/44/1034340744.db2.gz WXACWOZNCMSDSM-UHFFFAOYSA-N 1 2 325.456 3.731 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586760698 1034358248 /nfs/dbraw/zinc/35/82/48/1034358248.db2.gz GRPNLHYLHPAOBU-UHFFFAOYSA-N 1 2 343.377 3.512 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C)C2 ZINC000456357401 1034376435 /nfs/dbraw/zinc/37/64/35/1034376435.db2.gz XWARVTHJWOTJKG-RKVPGOIHSA-N 1 2 331.504 3.777 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C)CC2 ZINC000456357401 1034376449 /nfs/dbraw/zinc/37/64/49/1034376449.db2.gz XWARVTHJWOTJKG-RKVPGOIHSA-N 1 2 331.504 3.777 20 0 EHADLO Oc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1Cl ZINC000529670099 1034396531 /nfs/dbraw/zinc/39/65/31/1034396531.db2.gz RBDKKHJKYQDFQZ-UHFFFAOYSA-N 1 2 341.842 3.849 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c(C)c[nH+]1 ZINC000534323603 1034399952 /nfs/dbraw/zinc/39/99/52/1034399952.db2.gz ITCBMVHLBUIJQO-ZMZPIMSZSA-N 1 2 327.403 3.705 20 0 EHADLO CC(C)c1nnc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)s1 ZINC000450496365 1034400845 /nfs/dbraw/zinc/40/08/45/1034400845.db2.gz YDGNQVUPCOYNGI-UHFFFAOYSA-N 1 2 345.512 3.969 20 0 EHADLO CC(C)c1nnc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)s1 ZINC000450496365 1034400852 /nfs/dbraw/zinc/40/08/52/1034400852.db2.gz YDGNQVUPCOYNGI-UHFFFAOYSA-N 1 2 345.512 3.969 20 0 EHADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)c(C)n1-c1cccc(C)c1 ZINC000061620919 1034404475 /nfs/dbraw/zinc/40/44/75/1034404475.db2.gz YRLAUVWVQJHQRC-UHFFFAOYSA-N 1 2 348.450 3.639 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c(F)cc(C(F)(F)F)cc1F ZINC000685733899 1034433633 /nfs/dbraw/zinc/43/36/33/1034433633.db2.gz FYSQACWDXDHVKK-UHFFFAOYSA-N 1 2 341.239 3.884 20 0 EHADLO CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450527996 1034480520 /nfs/dbraw/zinc/48/05/20/1034480520.db2.gz MXWIKTIDPQIFFA-ZDUSSCGKSA-N 1 2 349.837 3.770 20 0 EHADLO O=C(CCCc1c[nH]c2ccccc12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121172660 1034486493 /nfs/dbraw/zinc/48/64/93/1034486493.db2.gz OSMDQXCYCXLBIS-SFHVURJKSA-N 1 2 349.434 3.566 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)cn2)cc1 ZINC000121188261 1034493182 /nfs/dbraw/zinc/49/31/82/1034493182.db2.gz QNOYXXLUUWVUCK-HNNXBMFYSA-N 1 2 341.846 3.628 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncnc3sc(C)cc32)c1C ZINC000761211140 1034495950 /nfs/dbraw/zinc/49/59/50/1034495950.db2.gz SASUSMYEDVSUKN-UHFFFAOYSA-N 1 2 328.441 3.657 20 0 EHADLO C[C@@H](O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547856 1034506137 /nfs/dbraw/zinc/50/61/37/1034506137.db2.gz FBAKGXHRAPIIKA-IAQYHMDHSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H](O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547856 1034506146 /nfs/dbraw/zinc/50/61/46/1034506146.db2.gz FBAKGXHRAPIIKA-IAQYHMDHSA-N 1 2 345.270 3.557 20 0 EHADLO O=C([C@H]1CCCCC1(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450540131 1034518223 /nfs/dbraw/zinc/51/82/23/1034518223.db2.gz MUKZWSFOLITRPR-MRXNPFEDSA-N 1 2 339.430 3.727 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121205656 1034557804 /nfs/dbraw/zinc/55/78/04/1034557804.db2.gz MBYYAOOUDQEEEQ-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121205656 1034557811 /nfs/dbraw/zinc/55/78/11/1034557811.db2.gz MBYYAOOUDQEEEQ-QGZVFWFLSA-N 1 2 335.455 3.592 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4c(cnn4C(C)C)c3)[nH+]c12 ZINC000604992383 1034577646 /nfs/dbraw/zinc/57/76/46/1034577646.db2.gz MBQJJIOTHRFGKD-UHFFFAOYSA-N 1 2 347.422 3.755 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999945 1034581246 /nfs/dbraw/zinc/58/12/46/1034581246.db2.gz ABWVOTYVBDKQEU-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000604999945 1034581256 /nfs/dbraw/zinc/58/12/56/1034581256.db2.gz ABWVOTYVBDKQEU-NSHDSACASA-N 1 2 345.270 3.821 20 0 EHADLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669784379 1034599053 /nfs/dbraw/zinc/59/90/53/1034599053.db2.gz DCVKNRHJEQILSO-HUUCEWRRSA-N 1 2 344.484 3.713 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121255840 1034600031 /nfs/dbraw/zinc/60/00/31/1034600031.db2.gz PQZJMBBLWNMLMI-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO CCCOc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121255840 1034600038 /nfs/dbraw/zinc/60/00/38/1034600038.db2.gz PQZJMBBLWNMLMI-MRXNPFEDSA-N 1 2 329.444 3.587 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](OC)C2CCCC2)cs1 ZINC000659959305 1034607247 /nfs/dbraw/zinc/60/72/47/1034607247.db2.gz HBAYQHGAGVNETJ-CJNGLKHVSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](OC)C2CCCC2)cs1 ZINC000659959305 1034607250 /nfs/dbraw/zinc/60/72/50/1034607250.db2.gz HBAYQHGAGVNETJ-CJNGLKHVSA-N 1 2 326.506 3.878 20 0 EHADLO COc1cc(C)[nH+]c(CSc2n[nH]c(C=Cc3ccccc3)n2)c1 ZINC000534519790 1034624741 /nfs/dbraw/zinc/62/47/41/1034624741.db2.gz DAMZMNVXLQMABQ-HJWRWDBZSA-N 1 2 338.436 3.979 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(OC2CCCCC2)cc1 ZINC000605128056 1034631148 /nfs/dbraw/zinc/63/11/48/1034631148.db2.gz QJSQDRBMNBLANC-UHFFFAOYSA-N 1 2 341.455 3.805 20 0 EHADLO COc1ccc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000171799289 1034648268 /nfs/dbraw/zinc/64/82/68/1034648268.db2.gz NXZODCHLTHFRIG-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4nn(C(C)C)cc4c3)[nH+]c12 ZINC000605376118 1034712949 /nfs/dbraw/zinc/71/29/49/1034712949.db2.gz IFWADGACGKHEMI-UHFFFAOYSA-N 1 2 347.422 3.755 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450772144 1034767933 /nfs/dbraw/zinc/76/79/33/1034767933.db2.gz KPKVAXZJQSBYRP-NSHDSACASA-N 1 2 343.397 3.556 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(Cc3ccccc3Cl)CC2)c[nH+]1 ZINC000456841533 1034787983 /nfs/dbraw/zinc/78/79/83/1034787983.db2.gz OWUMYLIBUIJDTN-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000605575478 1034788997 /nfs/dbraw/zinc/78/89/97/1034788997.db2.gz DQRPTVOFRAZLAC-PHIMTYICSA-N 1 2 326.284 3.953 20 0 EHADLO Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000605575478 1034789011 /nfs/dbraw/zinc/78/90/11/1034789011.db2.gz DQRPTVOFRAZLAC-PHIMTYICSA-N 1 2 326.284 3.953 20 0 EHADLO CCC[N@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccc(OC)cc1 ZINC000605708957 1034820667 /nfs/dbraw/zinc/82/06/67/1034820667.db2.gz STIBWVKZJGMPFB-AWEZNQCLSA-N 1 2 333.432 3.588 20 0 EHADLO CCC[N@@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccc(OC)cc1 ZINC000605708957 1034820680 /nfs/dbraw/zinc/82/06/80/1034820680.db2.gz STIBWVKZJGMPFB-AWEZNQCLSA-N 1 2 333.432 3.588 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530036828 1034888394 /nfs/dbraw/zinc/88/83/94/1034888394.db2.gz GECQJVIQZGVYDV-CXAGYDPISA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530036828 1034888404 /nfs/dbraw/zinc/88/84/04/1034888404.db2.gz GECQJVIQZGVYDV-CXAGYDPISA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530036829 1034889001 /nfs/dbraw/zinc/88/90/01/1034889001.db2.gz GECQJVIQZGVYDV-DYVFJYSZSA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530036829 1034889008 /nfs/dbraw/zinc/88/90/08/1034889008.db2.gz GECQJVIQZGVYDV-DYVFJYSZSA-N 1 2 329.419 3.522 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1Cl ZINC000450990179 1035001133 /nfs/dbraw/zinc/00/11/33/1035001133.db2.gz IADQUMRQIFTZOB-VIFPVBQESA-N 1 2 340.757 3.651 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CCCC34CC4)n2)c1 ZINC000530158543 1035026382 /nfs/dbraw/zinc/02/63/82/1035026382.db2.gz SVBMWZSCJVTQPJ-QGZVFWFLSA-N 1 2 339.439 3.617 20 0 EHADLO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000570311696 1035189106 /nfs/dbraw/zinc/18/91/06/1035189106.db2.gz UUXSTJZJCRKANE-OBJOEFQTSA-N 1 2 329.831 3.545 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000511374973 1035202869 /nfs/dbraw/zinc/20/28/69/1035202869.db2.gz CCQYCYCZOLDKBR-OKZBNKHCSA-N 1 2 329.488 3.996 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000053116754 1035214747 /nfs/dbraw/zinc/21/47/47/1035214747.db2.gz LGCZESCWPLEQOR-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000053116754 1035214751 /nfs/dbraw/zinc/21/47/51/1035214751.db2.gz LGCZESCWPLEQOR-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3ncccc3c1)C2 ZINC000376072584 1035220281 /nfs/dbraw/zinc/22/02/81/1035220281.db2.gz WMEJUWXVTBQUSE-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3ncccc3c1)CC2 ZINC000376072584 1035220283 /nfs/dbraw/zinc/22/02/83/1035220283.db2.gz WMEJUWXVTBQUSE-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612992924 1035340455 /nfs/dbraw/zinc/34/04/55/1035340455.db2.gz APXAOTODKPETOJ-JKSUJKDBSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612992924 1035340458 /nfs/dbraw/zinc/34/04/58/1035340458.db2.gz APXAOTODKPETOJ-JKSUJKDBSA-N 1 2 336.838 3.531 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000016564113 1035367868 /nfs/dbraw/zinc/36/78/68/1035367868.db2.gz WXXBGYHSOYMAHC-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000016564113 1035367872 /nfs/dbraw/zinc/36/78/72/1035367872.db2.gz WXXBGYHSOYMAHC-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685849590 1035412476 /nfs/dbraw/zinc/41/24/76/1035412476.db2.gz PLTNGIAZGPQRNI-PKOBYXMFSA-N 1 2 327.472 3.836 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685849590 1035412479 /nfs/dbraw/zinc/41/24/79/1035412479.db2.gz PLTNGIAZGPQRNI-PKOBYXMFSA-N 1 2 327.472 3.836 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000613279015 1035493988 /nfs/dbraw/zinc/49/39/88/1035493988.db2.gz ONXONOJQNGMGIH-ZDRJDWQYSA-N 1 2 349.478 3.940 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)s1 ZINC000414101553 1035503936 /nfs/dbraw/zinc/50/39/36/1035503936.db2.gz SIHRVJMAMUOZAE-YGRLFVJLSA-N 1 2 334.416 3.797 20 0 EHADLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185635656 1035504503 /nfs/dbraw/zinc/50/45/03/1035504503.db2.gz WHZWTKJPWKHLNK-OAHLLOKOSA-N 1 2 338.224 3.659 20 0 EHADLO C[C@H]([NH2+]Cc1noc(C2CCCCC2)n1)[C@@H]1COc2ccccc21 ZINC000185647707 1035506167 /nfs/dbraw/zinc/50/61/67/1035506167.db2.gz KRTAAATZWLLNBJ-BBRMVZONSA-N 1 2 327.428 3.772 20 0 EHADLO COc1cccc2c1[C@H](C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000431794718 1035521843 /nfs/dbraw/zinc/52/18/43/1035521843.db2.gz BDNQIUNQUAPRSP-QGZVFWFLSA-N 1 2 333.391 3.549 20 0 EHADLO O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055463088 1035523602 /nfs/dbraw/zinc/52/36/02/1035523602.db2.gz RKJNMKWCHOQUFX-UHFFFAOYSA-N 1 2 346.434 3.784 20 0 EHADLO CC1(C)[C@@H](C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000666154634 1035565590 /nfs/dbraw/zinc/56/55/90/1035565590.db2.gz ANSOWXQNFJVOSZ-FHWLQOOXSA-N 1 2 332.451 3.924 20 0 EHADLO CCOC(=O)C[C@@](C)([NH2+]Cc1noc(C2CCCCC2)n1)C(C)C ZINC000186690335 1035688431 /nfs/dbraw/zinc/68/84/31/1035688431.db2.gz GECOKHLKBAZJIQ-GOSISDBHSA-N 1 2 337.464 3.575 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1F ZINC000666163602 1035695945 /nfs/dbraw/zinc/69/59/45/1035695945.db2.gz NPMYZVCCQWAJEN-SFHVURJKSA-N 1 2 344.434 3.766 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000534870787 1035702443 /nfs/dbraw/zinc/70/24/43/1035702443.db2.gz GZWRCUFHHSXUFY-HNNXBMFYSA-N 1 2 336.439 3.684 20 0 EHADLO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000534870787 1035702463 /nfs/dbraw/zinc/70/24/63/1035702463.db2.gz GZWRCUFHHSXUFY-HNNXBMFYSA-N 1 2 336.439 3.684 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c(C)c1 ZINC000414137920 1035723081 /nfs/dbraw/zinc/72/30/81/1035723081.db2.gz FBMRRUKWWIGKMS-LLVKDONJSA-N 1 2 325.334 3.663 20 0 EHADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000588167204 1035736642 /nfs/dbraw/zinc/73/66/42/1035736642.db2.gz IGFSOPWZMRHTNH-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3c(F)cccc32)s1 ZINC000414145183 1035762873 /nfs/dbraw/zinc/76/28/73/1035762873.db2.gz PBWZVWCSUKCLIV-IINYFYTJSA-N 1 2 334.416 3.797 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cnc2c(c1)CCCC2 ZINC000613406189 1035765459 /nfs/dbraw/zinc/76/54/59/1035765459.db2.gz FXGVKDCANYGGIG-SFHVURJKSA-N 1 2 346.434 3.844 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)c1 ZINC000187222654 1035774752 /nfs/dbraw/zinc/77/47/52/1035774752.db2.gz RPSACNPIWJVMRM-UPCLLVRISA-N 1 2 344.480 3.591 20 0 EHADLO CC(C)[C@@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC12CCCC2 ZINC000457168700 1035781684 /nfs/dbraw/zinc/78/16/84/1035781684.db2.gz NTKGDDRGLCUDIB-IBGZPJMESA-N 1 2 337.467 3.972 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000187361500 1035795493 /nfs/dbraw/zinc/79/54/93/1035795493.db2.gz IEBRULZTNGDFBF-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2ccccc2n1C ZINC000414158129 1035809678 /nfs/dbraw/zinc/80/96/78/1035809678.db2.gz UEOIFGCSIWWOPH-NEPJUHHUSA-N 1 2 326.469 3.930 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc(O)c1 ZINC000187424076 1035820274 /nfs/dbraw/zinc/82/02/74/1035820274.db2.gz ZWLOFURTTDMUJV-SNVBAGLBSA-N 1 2 346.228 3.882 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(CSC)cc2)s1 ZINC000414165231 1035846248 /nfs/dbraw/zinc/84/62/48/1035846248.db2.gz PCJAFAWDKRVGEF-LLVKDONJSA-N 1 2 336.482 3.644 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)s1 ZINC000414171616 1035858430 /nfs/dbraw/zinc/85/84/30/1035858430.db2.gz XNTYGPQBBTZQJI-APPZFPTMSA-N 1 2 342.873 3.983 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3sccc3c2)s1 ZINC000414164000 1035858593 /nfs/dbraw/zinc/85/85/93/1035858593.db2.gz NVGACEHKDBQLFX-JTQLQIEISA-N 1 2 332.450 3.995 20 0 EHADLO C[C@@H]1CC[C@]2(CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)C1 ZINC000540985987 1035881717 /nfs/dbraw/zinc/88/17/17/1035881717.db2.gz DUHXOZNZEWVJSR-UZLBHIALSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669271523 1035883776 /nfs/dbraw/zinc/88/37/76/1035883776.db2.gz VVTJWJXPRADUDI-WJFTUGDTSA-N 1 2 337.467 3.627 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000514675407 1035893303 /nfs/dbraw/zinc/89/33/03/1035893303.db2.gz RHWDBXJARGPZAD-FXAWDEMLSA-N 1 2 343.430 3.624 20 0 EHADLO Cc1cccc(C2(C(=O)NCC[NH+]3Cc4ccccc4C3)CCCC2)c1 ZINC000588644137 1035939210 /nfs/dbraw/zinc/93/92/10/1035939210.db2.gz KHJZBLQOTFPDNF-UHFFFAOYSA-N 1 2 348.490 3.939 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457284650 1035939388 /nfs/dbraw/zinc/93/93/88/1035939388.db2.gz QEOHNGSWWVAYEN-PKOBYXMFSA-N 1 2 335.451 3.589 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(F)c(F)c1O)[N@H+](C)Cc1ccccc1 ZINC000457316724 1035945837 /nfs/dbraw/zinc/94/58/37/1035945837.db2.gz QGQFESZEICAPKL-OAHLLOKOSA-N 1 2 334.366 3.520 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(F)c(F)c1O)[N@@H+](C)Cc1ccccc1 ZINC000457316724 1035945849 /nfs/dbraw/zinc/94/58/49/1035945849.db2.gz QGQFESZEICAPKL-OAHLLOKOSA-N 1 2 334.366 3.520 20 0 EHADLO Cc1cc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(C)c[nH+]1 ZINC000535061966 1035945909 /nfs/dbraw/zinc/94/59/09/1035945909.db2.gz NDQXRMLGQJLXLG-UHFFFAOYSA-N 1 2 341.430 3.746 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000535064121 1035947257 /nfs/dbraw/zinc/94/72/57/1035947257.db2.gz HLFHKDLDYUROIV-LBPRGKRZSA-N 1 2 330.794 3.911 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1cscn1 ZINC000535064585 1035951580 /nfs/dbraw/zinc/95/15/80/1035951580.db2.gz YMJMHSYSWXDHGF-CQSZACIVSA-N 1 2 325.437 3.968 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000613464644 1035966919 /nfs/dbraw/zinc/96/69/19/1035966919.db2.gz YCYNZSHTMMBCLJ-LSDHHAIUSA-N 1 2 344.430 3.705 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000613464644 1035966934 /nfs/dbraw/zinc/96/69/34/1035966934.db2.gz YCYNZSHTMMBCLJ-LSDHHAIUSA-N 1 2 344.430 3.705 20 0 EHADLO CCCOc1cc(C)ccc1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000535059962 1035969309 /nfs/dbraw/zinc/96/93/09/1035969309.db2.gz PYBFNPXKNOTQLZ-UHFFFAOYSA-N 1 2 327.428 3.539 20 0 EHADLO CCCCn1c(SCCc2ccccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000588706466 1035978530 /nfs/dbraw/zinc/97/85/30/1035978530.db2.gz DDGSOYGPEFSQAX-MRXNPFEDSA-N 1 2 347.532 3.821 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001625884915 1035979340 /nfs/dbraw/zinc/97/93/40/1035979340.db2.gz WXRHDKLGFFOQAR-UHFFFAOYSA-N 1 2 346.430 3.881 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000913946567 1035987372 /nfs/dbraw/zinc/98/73/72/1035987372.db2.gz ZPBAIZRGQAUQST-OAHLLOKOSA-N 1 2 338.455 3.829 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572106427 1035996638 /nfs/dbraw/zinc/99/66/38/1035996638.db2.gz MBTSHCAIRYYGQI-DYVFJYSZSA-N 1 2 347.846 3.671 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000189148849 1036023618 /nfs/dbraw/zinc/02/36/18/1036023618.db2.gz BMUNZVDSUAJLOM-KRWDZBQOSA-N 1 2 345.855 3.963 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000189148849 1036023637 /nfs/dbraw/zinc/02/36/37/1036023637.db2.gz BMUNZVDSUAJLOM-KRWDZBQOSA-N 1 2 345.855 3.963 20 0 EHADLO CN(C(=O)CCc1c[nH+]cn1C)C1c2ccccc2-c2ccccc21 ZINC000189207376 1036033135 /nfs/dbraw/zinc/03/31/35/1036033135.db2.gz BOBVOGIUSWEQGV-UHFFFAOYSA-N 1 2 331.419 3.581 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000613484130 1036038242 /nfs/dbraw/zinc/03/82/42/1036038242.db2.gz KLAWKBYPXQXHLD-UHFFFAOYSA-N 1 2 334.504 3.658 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000613484130 1036038265 /nfs/dbraw/zinc/03/82/65/1036038265.db2.gz KLAWKBYPXQXHLD-UHFFFAOYSA-N 1 2 334.504 3.658 20 0 EHADLO CC(=O)OC1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000156862138 1036040924 /nfs/dbraw/zinc/04/09/24/1036040924.db2.gz XZOJTRQKDXEHLR-UHFFFAOYSA-N 1 2 348.493 3.931 20 0 EHADLO CCn1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)n1 ZINC000414200968 1036044426 /nfs/dbraw/zinc/04/44/26/1036044426.db2.gz BMVUJZSDTJAJKY-NSHDSACASA-N 1 2 338.249 3.525 20 0 EHADLO CCCNC(=O)C[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491308946 1036049806 /nfs/dbraw/zinc/04/98/06/1036049806.db2.gz UWJXJINISVNXOI-IBGZPJMESA-N 1 2 348.849 3.993 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163171 1036053433 /nfs/dbraw/zinc/05/34/33/1036053433.db2.gz KMSNFANPPSNQCL-CXMBCZLWSA-N 1 2 342.405 3.792 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163171 1036053453 /nfs/dbraw/zinc/05/34/53/1036053453.db2.gz KMSNFANPPSNQCL-CXMBCZLWSA-N 1 2 342.405 3.792 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1cc2sc3ccccc3c2s1 ZINC000174751724 1036092032 /nfs/dbraw/zinc/09/20/32/1036092032.db2.gz SVIANDXTRXEQTP-UHFFFAOYSA-N 1 2 327.434 3.812 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cc1F ZINC000189747825 1036134102 /nfs/dbraw/zinc/13/41/02/1036134102.db2.gz UBVCBJLEROWHAD-STQMWFEESA-N 1 2 347.438 3.738 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C)n2)C1 ZINC000588911377 1036175066 /nfs/dbraw/zinc/17/50/66/1036175066.db2.gz CMKCGKAFOLSSPI-ZDUSSCGKSA-N 1 2 338.521 3.885 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C)n2)C1 ZINC000588911377 1036175072 /nfs/dbraw/zinc/17/50/72/1036175072.db2.gz CMKCGKAFOLSSPI-ZDUSSCGKSA-N 1 2 338.521 3.885 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414234208 1036217656 /nfs/dbraw/zinc/21/76/56/1036217656.db2.gz IVGWTTTYIVRKQK-AWEZNQCLSA-N 1 2 343.448 3.996 20 0 EHADLO COc1ccc(Nc2nc(C(=O)Nc3cc[nH+]c(C)c3)cs2)cc1 ZINC000175086082 1036233963 /nfs/dbraw/zinc/23/39/63/1036233963.db2.gz BHJUXKBQAIAGQZ-UHFFFAOYSA-N 1 2 340.408 3.851 20 0 EHADLO CCCc1nc(CSCc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000190924193 1036303605 /nfs/dbraw/zinc/30/36/05/1036303605.db2.gz GYTYGCSONAEWNN-UHFFFAOYSA-N 1 2 328.441 3.950 20 0 EHADLO CCC1CCC(N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000589215814 1036315305 /nfs/dbraw/zinc/31/53/05/1036315305.db2.gz KPEVDLZNWFWIIA-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO CC(=O)c1cc(NC(=O)C=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000492843604 1036341186 /nfs/dbraw/zinc/34/11/86/1036341186.db2.gz WGFAJOOWPDVOOC-WTKPLQERSA-N 1 2 349.365 3.866 20 0 EHADLO Cc1ccc([C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C2CCC2)o1 ZINC000414267341 1036350905 /nfs/dbraw/zinc/35/09/05/1036350905.db2.gz WOVJVYVQPITJNQ-GOSISDBHSA-N 1 2 333.453 3.623 20 0 EHADLO COc1cc(C[NH2+]Cc2nnc(C)s2)ccc1OCCC(C)C ZINC000892588541 1036354038 /nfs/dbraw/zinc/35/40/38/1036354038.db2.gz IKODCRGXPZGULG-UHFFFAOYSA-N 1 2 335.473 3.570 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657262 1036367115 /nfs/dbraw/zinc/36/71/15/1036367115.db2.gz CXFKHIKBGFLDAZ-MZPVMMEZSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000457657262 1036367133 /nfs/dbraw/zinc/36/71/33/1036367133.db2.gz CXFKHIKBGFLDAZ-MZPVMMEZSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@H](C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000414269483 1036377157 /nfs/dbraw/zinc/37/71/57/1036377157.db2.gz UYOBWDVWUYSELD-HZMBPMFUSA-N 1 2 330.329 3.601 20 0 EHADLO C=CCOc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000056626049 1036385884 /nfs/dbraw/zinc/38/58/84/1036385884.db2.gz XZBFQYHQGQVZPB-KRWDZBQOSA-N 1 2 342.443 3.684 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000249733417 1036389056 /nfs/dbraw/zinc/38/90/56/1036389056.db2.gz BZIZVHXZKYUIGI-KKSFZXQISA-N 1 2 339.435 3.730 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000249733417 1036389074 /nfs/dbraw/zinc/38/90/74/1036389074.db2.gz BZIZVHXZKYUIGI-KKSFZXQISA-N 1 2 339.435 3.730 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457695455 1036406345 /nfs/dbraw/zinc/40/63/45/1036406345.db2.gz SQTIXJOTLZDFPS-HQQWDMGQSA-N 1 2 346.368 3.508 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457695455 1036406358 /nfs/dbraw/zinc/40/63/58/1036406358.db2.gz SQTIXJOTLZDFPS-HQQWDMGQSA-N 1 2 346.368 3.508 20 0 EHADLO C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175562149 1036406874 /nfs/dbraw/zinc/40/68/74/1036406874.db2.gz QWPZSWOIDPBKRJ-DLBZAZTESA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175562133 1036406936 /nfs/dbraw/zinc/40/69/36/1036406936.db2.gz QWPZSWOIDPBKRJ-IAGOWNOFSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1cnc(OC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)nc1 ZINC000653800069 1036409079 /nfs/dbraw/zinc/40/90/79/1036409079.db2.gz DVJVVALOXNXCFF-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175625706 1036417149 /nfs/dbraw/zinc/41/71/49/1036417149.db2.gz MUXCHAQIYWQDBP-MRXNPFEDSA-N 1 2 332.492 3.709 20 0 EHADLO CC(C)(C)C1CC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000457701185 1036418469 /nfs/dbraw/zinc/41/84/69/1036418469.db2.gz CKLOHVRSNLSKPO-UHFFFAOYSA-N 1 2 331.504 3.974 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000572647211 1036445872 /nfs/dbraw/zinc/44/58/72/1036445872.db2.gz DYDWJPHZCZKXNL-SLFFLAALSA-N 1 2 345.446 3.912 20 0 EHADLO C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457760757 1036462657 /nfs/dbraw/zinc/46/26/57/1036462657.db2.gz ADBNUIVTRCTAHJ-UZLBHIALSA-N 1 2 340.471 3.699 20 0 EHADLO O=C(c1ccccc1Oc1ccncc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669904911 1036468892 /nfs/dbraw/zinc/46/88/92/1036468892.db2.gz MHIHYPLXNCPUCP-MRXNPFEDSA-N 1 2 348.406 3.548 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1OC ZINC000192151454 1036479688 /nfs/dbraw/zinc/47/96/88/1036479688.db2.gz ARXQHYRQRYOAHD-OAHLLOKOSA-N 1 2 329.444 3.905 20 0 EHADLO CC(C)c1c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cnn1-c1ccccc1 ZINC000572853646 1036535733 /nfs/dbraw/zinc/53/57/33/1036535733.db2.gz JTXFDGLSJUQCPB-AWEZNQCLSA-N 1 2 337.427 3.536 20 0 EHADLO CC(C)c1c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cnn1-c1ccccc1 ZINC000572853646 1036535746 /nfs/dbraw/zinc/53/57/46/1036535746.db2.gz JTXFDGLSJUQCPB-AWEZNQCLSA-N 1 2 337.427 3.536 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000464544613 1036537553 /nfs/dbraw/zinc/53/75/53/1036537553.db2.gz NZUYDXRDDIGGRP-KZNAEPCWSA-N 1 2 344.503 3.979 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 ZINC000302081779 1036540852 /nfs/dbraw/zinc/54/08/52/1036540852.db2.gz CQZKAHMLQKUFAN-UHFFFAOYSA-N 1 2 346.431 3.871 20 0 EHADLO C[C@@H]([NH2+]CCCOc1ccccc1)c1noc(Cc2ccccc2)n1 ZINC000541688854 1036560685 /nfs/dbraw/zinc/56/06/85/1036560685.db2.gz BANRIURBWZDDAL-MRXNPFEDSA-N 1 2 337.423 3.780 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)CCS1 ZINC000464574419 1036562689 /nfs/dbraw/zinc/56/26/89/1036562689.db2.gz KGDSILJAUXTBGF-CQSZACIVSA-N 1 2 348.512 3.824 20 0 EHADLO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)CCS1 ZINC000464574419 1036562708 /nfs/dbraw/zinc/56/27/08/1036562708.db2.gz KGDSILJAUXTBGF-CQSZACIVSA-N 1 2 348.512 3.824 20 0 EHADLO c1ccc(-n2nc(C[NH2+]Cc3[nH]nc4ccccc43)c3c2CCC3)cc1 ZINC000589644502 1036576199 /nfs/dbraw/zinc/57/61/99/1036576199.db2.gz MCKSISOTRMASLC-UHFFFAOYSA-N 1 2 343.434 3.527 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3ccccc3Cl)n2)cc[nH+]1 ZINC000589684545 1036592622 /nfs/dbraw/zinc/59/26/22/1036592622.db2.gz MUGMSTCNBQJJDF-UHFFFAOYSA-N 1 2 329.812 3.841 20 0 EHADLO O[C@@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)C(F)F ZINC000493057559 1036594077 /nfs/dbraw/zinc/59/40/77/1036594077.db2.gz LRTVBUBGEDQIPG-GJZGRUSLSA-N 1 2 347.739 3.923 20 0 EHADLO c1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)cn2)cc1 ZINC000541734773 1036603182 /nfs/dbraw/zinc/60/31/82/1036603182.db2.gz RWBWHJJMDCPGCR-HXUWFJFHSA-N 1 2 337.467 3.925 20 0 EHADLO c1ccc(-c2ncc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)cn2)cc1 ZINC000541734773 1036603190 /nfs/dbraw/zinc/60/31/90/1036603190.db2.gz RWBWHJJMDCPGCR-HXUWFJFHSA-N 1 2 337.467 3.925 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)CCCn2cc[nH+]c2)c(C)c1 ZINC000648460847 1036633651 /nfs/dbraw/zinc/63/36/51/1036633651.db2.gz ZXALYIILLNRINZ-UHFFFAOYSA-N 1 2 327.472 3.965 20 0 EHADLO Fc1ccc(/C=C\C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000541772928 1036647015 /nfs/dbraw/zinc/64/70/15/1036647015.db2.gz NQBPUPCDGBJWOR-IWQZZHSRSA-N 1 2 334.332 3.548 20 0 EHADLO Fc1ccc(/C=C\C[N@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000541772928 1036647026 /nfs/dbraw/zinc/64/70/26/1036647026.db2.gz NQBPUPCDGBJWOR-IWQZZHSRSA-N 1 2 334.332 3.548 20 0 EHADLO CCOC(=O)CC1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000535593267 1036694181 /nfs/dbraw/zinc/69/41/81/1036694181.db2.gz AIHQFTAYVGMVKJ-UHFFFAOYSA-N 1 2 333.476 3.893 20 0 EHADLO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589988296 1036704443 /nfs/dbraw/zinc/70/44/43/1036704443.db2.gz KPWXWTDIOWZISU-UHFFFAOYSA-N 1 2 342.782 3.693 20 0 EHADLO CO[C@H]1CCC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000170819393 1036731459 /nfs/dbraw/zinc/73/14/59/1036731459.db2.gz VMUBEXFMQIFEPP-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO CO[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000170819393 1036731476 /nfs/dbraw/zinc/73/14/76/1036731476.db2.gz VMUBEXFMQIFEPP-KRWDZBQOSA-N 1 2 332.469 3.641 20 0 EHADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2cccs2)no1 ZINC000302806424 1036745917 /nfs/dbraw/zinc/74/59/17/1036745917.db2.gz OOVYDYCOAPSNRU-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1nc(-c2cccs2)no1 ZINC000302806424 1036745940 /nfs/dbraw/zinc/74/59/40/1036745940.db2.gz OOVYDYCOAPSNRU-UHFFFAOYSA-N 1 2 349.843 3.962 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000590172024 1036799549 /nfs/dbraw/zinc/79/95/49/1036799549.db2.gz HBPYISVRTKVFFJ-UHFFFAOYSA-N 1 2 340.471 3.712 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000740860035 1036860995 /nfs/dbraw/zinc/86/09/95/1036860995.db2.gz OKVIXOGCANIGMP-STQMWFEESA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=S)n1CCc1cccs1 ZINC000740860035 1036861021 /nfs/dbraw/zinc/86/10/21/1036861021.db2.gz OKVIXOGCANIGMP-STQMWFEESA-N 1 2 336.530 3.715 20 0 EHADLO Clc1cccc2c1C[C@H]([NH2+][C@H](c1nnc[nH]1)c1ccccc1)CC2 ZINC000666355619 1036909141 /nfs/dbraw/zinc/90/91/41/1036909141.db2.gz SYQJRWRIJBGLSW-QAPCUYQASA-N 1 2 338.842 3.695 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)NNc1cc[nH+]cc1Cl ZINC000157174570 1036924202 /nfs/dbraw/zinc/92/42/02/1036924202.db2.gz KLHHWQWMDYAZFG-UHFFFAOYSA-N 1 2 326.183 3.544 20 0 EHADLO C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc[nH]1 ZINC000760782304 1036928367 /nfs/dbraw/zinc/92/83/67/1036928367.db2.gz NIECULTUGDZBCN-AWEZNQCLSA-N 1 2 347.422 3.813 20 0 EHADLO CCc1ccc([C@@H](CO)[NH2+]Cc2cc(-c3cccs3)on2)cc1 ZINC000541983307 1036946881 /nfs/dbraw/zinc/94/68/81/1036946881.db2.gz DPHXWAAGDYITJM-MRXNPFEDSA-N 1 2 328.437 3.789 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000176491194 1037006435 /nfs/dbraw/zinc/00/64/35/1037006435.db2.gz JZUFLVGHAZFUKG-GNISGLHKSA-N 1 2 338.455 3.551 20 0 EHADLO CC(C)c1ccc(OCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590726586 1037008872 /nfs/dbraw/zinc/00/88/72/1037008872.db2.gz FPDWYJCRWNLEFJ-GOSISDBHSA-N 1 2 341.455 3.639 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)ccc1F ZINC000178259549 1037014251 /nfs/dbraw/zinc/01/42/51/1037014251.db2.gz HROCALKTAHGLMO-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1cc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)ccc1F ZINC000178259549 1037014267 /nfs/dbraw/zinc/01/42/67/1037014267.db2.gz HROCALKTAHGLMO-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590730320 1037031970 /nfs/dbraw/zinc/03/19/70/1037031970.db2.gz HFKHTVCLBAVMOD-HNNXBMFYSA-N 1 2 349.887 3.882 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590733649 1037034722 /nfs/dbraw/zinc/03/47/22/1037034722.db2.gz SKFXCXLEOZYQNE-GOSISDBHSA-N 1 2 341.455 3.785 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733656 1037036208 /nfs/dbraw/zinc/03/62/08/1037036208.db2.gz SLZKFZNFGHZKDW-AZRLCKCBSA-N 1 2 327.472 3.653 20 0 EHADLO CC[N@H+](Cc1ccc(C)nn1)Cc1cc(Br)ccc1F ZINC000414369013 1037042180 /nfs/dbraw/zinc/04/21/80/1037042180.db2.gz IKGZAHCMEXJLTC-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CC[N@@H+](Cc1ccc(C)nn1)Cc1cc(Br)ccc1F ZINC000414369013 1037042195 /nfs/dbraw/zinc/04/21/95/1037042195.db2.gz IKGZAHCMEXJLTC-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cncc(Br)c2)c1C ZINC000176571513 1037058748 /nfs/dbraw/zinc/05/87/48/1037058748.db2.gz GZWLWJCFUDQOSP-UHFFFAOYSA-N 1 2 336.233 3.501 20 0 EHADLO O=[S@@](CC[NH2+][C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104679752 1037064537 /nfs/dbraw/zinc/06/45/37/1037064537.db2.gz LBXIKNFZMDGFKZ-UZUQRXQVSA-N 1 2 342.489 3.630 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000178604288 1037067036 /nfs/dbraw/zinc/06/70/36/1037067036.db2.gz ITORFWAAZHFQFX-AWEZNQCLSA-N 1 2 332.423 3.589 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)CC)CC2)cc1 ZINC000465022688 1037077152 /nfs/dbraw/zinc/07/71/52/1037077152.db2.gz GYBZDTPTYQGQQB-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccccc1OC ZINC000761504872 1037089202 /nfs/dbraw/zinc/08/92/02/1037089202.db2.gz CFYSHXMFULEQJT-UHFFFAOYSA-N 1 2 346.500 3.563 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000052085805 1037102597 /nfs/dbraw/zinc/10/25/97/1037102597.db2.gz FLXDLIFNTOLGOS-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000052085805 1037102611 /nfs/dbraw/zinc/10/26/11/1037102611.db2.gz FLXDLIFNTOLGOS-CYBMUJFWSA-N 1 2 334.464 3.837 20 0 EHADLO O=C(Nc1cccc(-c2ncco2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178975875 1037142984 /nfs/dbraw/zinc/14/29/84/1037142984.db2.gz JHNRGSXIDDQRQV-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCSCC2)C(C)C)cc1 ZINC000061283541 1037160854 /nfs/dbraw/zinc/16/08/54/1037160854.db2.gz MEUKPJOGIAHOAV-LJQANCHMSA-N 1 2 334.529 3.672 20 0 EHADLO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1Br ZINC000104077362 1037180664 /nfs/dbraw/zinc/18/06/64/1037180664.db2.gz RWICJAZKRSXJQX-RYUDHWBXSA-N 1 2 325.250 3.651 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C/c3cnccc3C)cc2)c1C ZINC000493330143 1037235956 /nfs/dbraw/zinc/23/59/56/1037235956.db2.gz XXLGTYLGFRAIFP-RUDMXATFSA-N 1 2 332.407 3.844 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1C ZINC000539838694 1037247416 /nfs/dbraw/zinc/24/74/16/1037247416.db2.gz LXHGIBGZWHWPTE-IBGZPJMESA-N 1 2 333.378 3.855 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1C ZINC000539838694 1037247429 /nfs/dbraw/zinc/24/74/29/1037247429.db2.gz LXHGIBGZWHWPTE-IBGZPJMESA-N 1 2 333.378 3.855 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000104317855 1037259941 /nfs/dbraw/zinc/25/99/41/1037259941.db2.gz BUTYTGMDFGYRKZ-MRXNPFEDSA-N 1 2 331.847 3.550 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CCC2)s1 ZINC000591241177 1037285739 /nfs/dbraw/zinc/28/57/39/1037285739.db2.gz KGRLNOWPDZHSRQ-LLVKDONJSA-N 1 2 334.416 3.799 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000106136232 1037303692 /nfs/dbraw/zinc/30/36/92/1037303692.db2.gz SKBFQCHFZXMLGI-CABCVRRESA-N 1 2 346.450 3.772 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000414394440 1037312065 /nfs/dbraw/zinc/31/20/65/1037312065.db2.gz IMNBNFMKBSQOTP-APWZRJJASA-N 1 2 325.456 3.618 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000414394440 1037312079 /nfs/dbraw/zinc/31/20/79/1037312079.db2.gz IMNBNFMKBSQOTP-APWZRJJASA-N 1 2 325.456 3.618 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)s1 ZINC000669931529 1037327174 /nfs/dbraw/zinc/32/71/74/1037327174.db2.gz RPARVKIZCGQIJF-UONOGXRCSA-N 1 2 342.512 3.823 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000573169374 1037359812 /nfs/dbraw/zinc/35/98/12/1037359812.db2.gz BZJHQVOGZRCJLA-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000573169374 1037359822 /nfs/dbraw/zinc/35/98/22/1037359822.db2.gz BZJHQVOGZRCJLA-IEBWSBKVSA-N 1 2 330.472 3.638 20 0 EHADLO CCc1cc(OCc2ncn(-c3ccccc3)n2)c2ccccc2[nH+]1 ZINC000539952659 1037396420 /nfs/dbraw/zinc/39/64/20/1037396420.db2.gz NWGAJPLSOQMRCV-UHFFFAOYSA-N 1 2 330.391 3.957 20 0 EHADLO COCCN(Cc1ccc(Br)s1)c1cccc[nH+]1 ZINC000493551336 1037446424 /nfs/dbraw/zinc/44/64/24/1037446424.db2.gz SATXHRMVBCJVAO-UHFFFAOYSA-N 1 2 327.247 3.559 20 0 EHADLO O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491448060 1037476642 /nfs/dbraw/zinc/47/66/42/1037476642.db2.gz GREFSKYPBOCOAP-AGLBCWCQSA-N 1 2 333.794 3.622 20 0 EHADLO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000532504115 1037530100 /nfs/dbraw/zinc/53/01/00/1037530100.db2.gz UMBMHFYVNDDNQZ-GFCCVEGCSA-N 1 2 326.625 3.603 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(Br)c1Cl ZINC000670019049 1037567095 /nfs/dbraw/zinc/56/70/95/1037567095.db2.gz SCQRJWXVVDYFCZ-UHFFFAOYSA-N 1 2 342.624 3.718 20 0 EHADLO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(C2CC2)no1 ZINC000101558836 1037571028 /nfs/dbraw/zinc/57/10/28/1037571028.db2.gz WKSREORBZCWWBS-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(C2CC2)no1 ZINC000101558836 1037571037 /nfs/dbraw/zinc/57/10/37/1037571037.db2.gz WKSREORBZCWWBS-UHFFFAOYSA-N 1 2 338.411 3.667 20 0 EHADLO O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865674 1037576744 /nfs/dbraw/zinc/57/67/44/1037576744.db2.gz FZXLVYFQJDATPO-UHFFFAOYSA-N 1 2 344.418 3.995 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(SC)c(Br)c1 ZINC000623605246 1037578850 /nfs/dbraw/zinc/57/88/50/1037578850.db2.gz ZYAZDYQDQQUKPE-UHFFFAOYSA-N 1 2 326.263 4.000 20 0 EHADLO Cc1nnc(C[N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000102656713 1037583662 /nfs/dbraw/zinc/58/36/62/1037583662.db2.gz XUPZCYSHHXXFMS-HNNXBMFYSA-N 1 2 338.377 3.870 20 0 EHADLO Cc1nnc(C[N@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000102656713 1037583673 /nfs/dbraw/zinc/58/36/73/1037583673.db2.gz XUPZCYSHHXXFMS-HNNXBMFYSA-N 1 2 338.377 3.870 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccsc1 ZINC000669937621 1037623330 /nfs/dbraw/zinc/62/33/30/1037623330.db2.gz NEBUQKBUMDXRQD-NEPJUHHUSA-N 1 2 340.456 3.671 20 0 EHADLO Cc1csc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000107325456 1037623917 /nfs/dbraw/zinc/62/39/17/1037623917.db2.gz UFNZFTGGKVEJNQ-UHFFFAOYSA-N 1 2 345.472 3.549 20 0 EHADLO c1ccc(-c2nc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)no2)cc1 ZINC000591834540 1037645287 /nfs/dbraw/zinc/64/52/87/1037645287.db2.gz NZGCGTPPOHOTQL-GOSISDBHSA-N 1 2 335.407 3.700 20 0 EHADLO c1ccc(-c2nc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)no2)cc1 ZINC000591834540 1037645300 /nfs/dbraw/zinc/64/53/00/1037645300.db2.gz NZGCGTPPOHOTQL-GOSISDBHSA-N 1 2 335.407 3.700 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)s1 ZINC000540165569 1037650095 /nfs/dbraw/zinc/65/00/95/1037650095.db2.gz ZNBDBZUVYQMUMD-LBPRGKRZSA-N 1 2 333.457 3.674 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1F ZINC000591812089 1037655377 /nfs/dbraw/zinc/65/53/77/1037655377.db2.gz ZZGOSALJPAPERI-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1F ZINC000591812089 1037655392 /nfs/dbraw/zinc/65/53/92/1037655392.db2.gz ZZGOSALJPAPERI-LJQANCHMSA-N 1 2 342.414 3.536 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811798 1037658153 /nfs/dbraw/zinc/65/81/53/1037658153.db2.gz WALAMFOODSINKC-LJQANCHMSA-N 1 2 338.451 3.706 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591811798 1037658165 /nfs/dbraw/zinc/65/81/65/1037658165.db2.gz WALAMFOODSINKC-LJQANCHMSA-N 1 2 338.451 3.706 20 0 EHADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)s1 ZINC000591849859 1037679336 /nfs/dbraw/zinc/67/93/36/1037679336.db2.gz OLDBVTNFMFMKHX-ZDUSSCGKSA-N 1 2 339.505 3.577 20 0 EHADLO CCc1nnc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)s1 ZINC000591849859 1037679347 /nfs/dbraw/zinc/67/93/47/1037679347.db2.gz OLDBVTNFMFMKHX-ZDUSSCGKSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651229895 1037689344 /nfs/dbraw/zinc/68/93/44/1037689344.db2.gz AYRFAWSHFYIWCH-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000029533585 1037724282 /nfs/dbraw/zinc/72/42/82/1037724282.db2.gz LYNFHIKXJCZGPT-HXUWFJFHSA-N 1 2 335.403 3.675 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000029533585 1037724300 /nfs/dbraw/zinc/72/43/00/1037724300.db2.gz LYNFHIKXJCZGPT-HXUWFJFHSA-N 1 2 335.403 3.675 20 0 EHADLO Cc1ccc(O[C@H](C)CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000463067972 1037730728 /nfs/dbraw/zinc/73/07/28/1037730728.db2.gz FHDZIEJPEFEDTI-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1ccc(O[C@H](C)CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000463067972 1037730741 /nfs/dbraw/zinc/73/07/41/1037730741.db2.gz FHDZIEJPEFEDTI-MRXNPFEDSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c(C)[nH+]1 ZINC000913752951 1037736484 /nfs/dbraw/zinc/73/64/84/1037736484.db2.gz DPYDRVBFGINUSI-UONOGXRCSA-N 1 2 326.362 3.881 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111736375 1037740924 /nfs/dbraw/zinc/74/09/24/1037740924.db2.gz FAJHUWGILHBOFC-HNNXBMFYSA-N 1 2 342.443 3.929 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000112008623 1037748751 /nfs/dbraw/zinc/74/87/51/1037748751.db2.gz XRIJUDWIJHGMOV-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO O=C(/C=C/c1sc2ccccc2c1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000491894083 1037750240 /nfs/dbraw/zinc/75/02/40/1037750240.db2.gz KNEOZYOLSBCHJM-AATRIKPKSA-N 1 2 343.839 3.848 20 0 EHADLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179369639 1037770940 /nfs/dbraw/zinc/77/09/40/1037770940.db2.gz XSDIWTPCZNOKII-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179369639 1037770951 /nfs/dbraw/zinc/77/09/51/1037770951.db2.gz XSDIWTPCZNOKII-CQSZACIVSA-N 1 2 331.847 3.893 20 0 EHADLO Brc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000225508024 1037770817 /nfs/dbraw/zinc/77/08/17/1037770817.db2.gz GRMDTSYTCHFWRM-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000112975689 1037772516 /nfs/dbraw/zinc/77/25/16/1037772516.db2.gz VNISVAFQPPWELN-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000112975689 1037772537 /nfs/dbraw/zinc/77/25/37/1037772537.db2.gz VNISVAFQPPWELN-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO Cc1nc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000591987170 1037778678 /nfs/dbraw/zinc/77/86/78/1037778678.db2.gz IIKDLLIAZJXNMN-UHFFFAOYSA-N 1 2 345.487 3.612 20 0 EHADLO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913763527 1037784329 /nfs/dbraw/zinc/78/43/29/1037784329.db2.gz JHGJDMLKEQAKFT-MRXNPFEDSA-N 1 2 337.345 3.509 20 0 EHADLO CC(C)[N@H+](Cc1ccn(CCc2ccccc2)n1)Cc1ccccn1 ZINC000573912005 1037800004 /nfs/dbraw/zinc/80/00/04/1037800004.db2.gz OBLFVXDTLJZGKH-UHFFFAOYSA-N 1 2 334.467 3.931 20 0 EHADLO CC(C)[N@@H+](Cc1ccn(CCc2ccccc2)n1)Cc1ccccn1 ZINC000573912005 1037800015 /nfs/dbraw/zinc/80/00/15/1037800015.db2.gz OBLFVXDTLJZGKH-UHFFFAOYSA-N 1 2 334.467 3.931 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096445 1037817764 /nfs/dbraw/zinc/81/77/64/1037817764.db2.gz LAZMIDGSZYJORE-FUHWJXTLSA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000494096445 1037817781 /nfs/dbraw/zinc/81/77/81/1037817781.db2.gz LAZMIDGSZYJORE-FUHWJXTLSA-N 1 2 336.426 3.653 20 0 EHADLO CN1CC[NH+](Cc2cccc(NC(=O)CCCC3CCCC3)c2)CC1 ZINC000463153024 1037823735 /nfs/dbraw/zinc/82/37/35/1037823735.db2.gz QOGKHHLFYJMDQA-UHFFFAOYSA-N 1 2 343.515 3.733 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)coc2c1C ZINC000378081761 1037854964 /nfs/dbraw/zinc/85/49/64/1037854964.db2.gz DWVMNIKXIMBZJM-UHFFFAOYSA-N 1 2 337.423 3.721 20 0 EHADLO Cc1ccc2c(CC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)coc2c1C ZINC000378081761 1037854987 /nfs/dbraw/zinc/85/49/87/1037854987.db2.gz DWVMNIKXIMBZJM-UHFFFAOYSA-N 1 2 337.423 3.721 20 0 EHADLO Cc1cc(Br)ccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081500 1037857477 /nfs/dbraw/zinc/85/74/77/1037857477.db2.gz YNXBZTIQARTCKZ-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO Cc1cc(Br)ccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081500 1037857489 /nfs/dbraw/zinc/85/74/89/1037857489.db2.gz YNXBZTIQARTCKZ-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO COCCc1ccccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492008850 1037860245 /nfs/dbraw/zinc/86/02/45/1037860245.db2.gz QSZRAEVWAJPEHF-FLIBITNWSA-N 1 2 347.418 3.713 20 0 EHADLO CCCc1csc(CNc2ccccc2C[NH+]2CCOCC2)n1 ZINC000494175277 1037882408 /nfs/dbraw/zinc/88/24/08/1037882408.db2.gz GTHZUYNMZCXQLW-UHFFFAOYSA-N 1 2 331.485 3.540 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(F)s2)C[C@H](C)O1 ZINC000666647064 1037902836 /nfs/dbraw/zinc/90/28/36/1037902836.db2.gz BQWJXUDANYBLPZ-BETUJISGSA-N 1 2 348.443 3.749 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(F)s2)C[C@H](C)O1 ZINC000666647064 1037902852 /nfs/dbraw/zinc/90/28/52/1037902852.db2.gz BQWJXUDANYBLPZ-BETUJISGSA-N 1 2 348.443 3.749 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000592324498 1037905681 /nfs/dbraw/zinc/90/56/81/1037905681.db2.gz WTIBBFLNHMLRDE-QGZVFWFLSA-N 1 2 326.444 3.657 20 0 EHADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000592324498 1037905725 /nfs/dbraw/zinc/90/57/25/1037905725.db2.gz WTIBBFLNHMLRDE-QGZVFWFLSA-N 1 2 326.444 3.657 20 0 EHADLO CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000540413693 1037938481 /nfs/dbraw/zinc/93/84/81/1037938481.db2.gz GHDSSSMJXCCWFS-MRXNPFEDSA-N 1 2 346.519 3.764 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000540461132 1037960873 /nfs/dbraw/zinc/96/08/73/1037960873.db2.gz WLFOSSXBIGPKMN-STQMWFEESA-N 1 2 348.393 3.501 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000332933863 1037965196 /nfs/dbraw/zinc/96/51/96/1037965196.db2.gz JVQMILFMLVPSDC-BRWVUGGUSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@H](c3cnn(C)c3)C(C)(C)C)n2)cc1 ZINC000540477221 1037987887 /nfs/dbraw/zinc/98/78/87/1037987887.db2.gz QARSBKLZAHSAAS-QGZVFWFLSA-N 1 2 339.443 3.656 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccccc3s2)n1 ZINC000184151302 1038009004 /nfs/dbraw/zinc/00/90/04/1038009004.db2.gz WFENJMONNHFMEZ-GHMZBOCLSA-N 1 2 346.481 3.739 20 0 EHADLO CCc1nc(C[NH2+][C@@H](COc2c(C)cccc2C)C(C)(C)C)no1 ZINC000540524227 1038050119 /nfs/dbraw/zinc/05/01/19/1038050119.db2.gz ACJDRFOGOVTYMZ-HNNXBMFYSA-N 1 2 331.460 3.832 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000188104895 1038064194 /nfs/dbraw/zinc/06/41/94/1038064194.db2.gz XMQIXWVXLVUBAO-GWCFXTLKSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000188104895 1038064215 /nfs/dbraw/zinc/06/42/15/1038064215.db2.gz XMQIXWVXLVUBAO-GWCFXTLKSA-N 1 2 346.254 3.633 20 0 EHADLO C/C(=C\c1ccc(C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180175667 1038068439 /nfs/dbraw/zinc/06/84/39/1038068439.db2.gz CPPVOCPBUDLZJR-GHRIWEEISA-N 1 2 335.451 3.710 20 0 EHADLO C[C@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(C)c1 ZINC000124581460 1038207721 /nfs/dbraw/zinc/20/77/21/1038207721.db2.gz OVPGPCDPHJLHEU-UGSOOPFHSA-N 1 2 326.831 3.909 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C(F)(F)F)CCCC2)c1C ZINC000416144933 1038224560 /nfs/dbraw/zinc/22/45/60/1038224560.db2.gz PCAIKEVPHQQJPY-UHFFFAOYSA-N 1 2 344.377 3.788 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cccc(Oc2ccccc2)c1 ZINC000042898066 1038263391 /nfs/dbraw/zinc/26/33/91/1038263391.db2.gz QYASZCQFGGQODL-UHFFFAOYSA-N 1 2 336.395 3.887 20 0 EHADLO COc1cc(F)c(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1F ZINC000125178807 1038289264 /nfs/dbraw/zinc/28/92/64/1038289264.db2.gz LNTYCQSWQITECB-UHFFFAOYSA-N 1 2 343.333 3.720 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1c(F)cccc1F ZINC000043265268 1038305004 /nfs/dbraw/zinc/30/50/04/1038305004.db2.gz AWPGCOVVASUOHQ-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000538523487 1038342886 /nfs/dbraw/zinc/34/28/86/1038342886.db2.gz BADZFAIHAAHOGY-FQEVSTJZSA-N 1 2 347.422 3.895 20 0 EHADLO Cc1cc2cc([C@@H](C)[NH2+]Cc3nnnn3-c3ccccc3)oc2cc1C ZINC000538523428 1038343745 /nfs/dbraw/zinc/34/37/45/1038343745.db2.gz YEBSMMHHSNUWLE-OAHLLOKOSA-N 1 2 347.422 3.876 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000378306881 1038419308 /nfs/dbraw/zinc/41/93/08/1038419308.db2.gz ALSPMVSJDHISNV-UHFFFAOYSA-N 1 2 334.508 3.556 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000538731544 1038497684 /nfs/dbraw/zinc/49/76/84/1038497684.db2.gz TULKLRHSDONKEP-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000659954102 1038500466 /nfs/dbraw/zinc/50/04/66/1038500466.db2.gz ZYHKVMBVAFPNHR-VLIAUNLRSA-N 1 2 337.398 3.731 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000659954102 1038500472 /nfs/dbraw/zinc/50/04/72/1038500472.db2.gz ZYHKVMBVAFPNHR-VLIAUNLRSA-N 1 2 337.398 3.731 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(-c3cccnc3)cc2)c(C)c[nH+]1 ZINC000378358136 1038516322 /nfs/dbraw/zinc/51/63/22/1038516322.db2.gz YJSCPNFQHDDROV-UHFFFAOYSA-N 1 2 332.407 3.504 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000339164103 1038516800 /nfs/dbraw/zinc/51/68/00/1038516800.db2.gz AZUYWLRNGCJTDH-SCLBCKFNSA-N 1 2 333.863 3.910 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000538786771 1038541295 /nfs/dbraw/zinc/54/12/95/1038541295.db2.gz MGJREWRBWIFQIH-FQEVSTJZSA-N 1 2 338.426 3.758 20 0 EHADLO Cc1cc(C)cc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000538786771 1038541300 /nfs/dbraw/zinc/54/13/00/1038541300.db2.gz MGJREWRBWIFQIH-FQEVSTJZSA-N 1 2 338.426 3.758 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000728746004 1038569802 /nfs/dbraw/zinc/56/98/02/1038569802.db2.gz NVFSPJIDSIXZND-AWEZNQCLSA-N 1 2 346.862 3.514 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c1C ZINC000728747279 1038594991 /nfs/dbraw/zinc/59/49/91/1038594991.db2.gz IJJSDNIXPXEWFO-HOTGVXAUSA-N 1 2 333.476 3.721 20 0 EHADLO Cc1ccc(C[N@H+](C)CN2C[C@@H](c3ccccc3F)CC2=O)s1 ZINC000182679160 1038626758 /nfs/dbraw/zinc/62/67/58/1038626758.db2.gz GRBNOXDVDJKPFU-AWEZNQCLSA-N 1 2 332.444 3.601 20 0 EHADLO Cc1ccc(C[N@@H+](C)CN2C[C@@H](c3ccccc3F)CC2=O)s1 ZINC000182679160 1038626760 /nfs/dbraw/zinc/62/67/60/1038626760.db2.gz GRBNOXDVDJKPFU-AWEZNQCLSA-N 1 2 332.444 3.601 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc2ccccn2c1 ZINC000539016322 1038640813 /nfs/dbraw/zinc/64/08/13/1038640813.db2.gz PNJLCTOQAOBQLW-UHFFFAOYSA-N 1 2 348.450 3.645 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000182878298 1038646684 /nfs/dbraw/zinc/64/66/84/1038646684.db2.gz NRVCAMMOPPLSRV-CYBMUJFWSA-N 1 2 349.381 3.693 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)s1 ZINC000539224870 1038738616 /nfs/dbraw/zinc/73/86/16/1038738616.db2.gz JSLASUJUJMDIQE-CYBMUJFWSA-N 1 2 340.452 3.671 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000485227141 1038787475 /nfs/dbraw/zinc/78/74/75/1038787475.db2.gz ZOTYZQYJWKFDEW-OALUTQOASA-N 1 2 325.456 3.876 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363898980 1038827646 /nfs/dbraw/zinc/82/76/46/1038827646.db2.gz DXKXSMVEIRQEKI-UHFFFAOYSA-N 1 2 346.406 3.749 20 0 EHADLO CCCOc1cc(F)ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363898980 1038827673 /nfs/dbraw/zinc/82/76/73/1038827673.db2.gz DXKXSMVEIRQEKI-UHFFFAOYSA-N 1 2 346.406 3.749 20 0 EHADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000488161176 1038921625 /nfs/dbraw/zinc/92/16/25/1038921625.db2.gz KYRQMKMVWLETOB-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000488161176 1038921647 /nfs/dbraw/zinc/92/16/47/1038921647.db2.gz KYRQMKMVWLETOB-LBPRGKRZSA-N 1 2 349.272 3.997 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1csc(Br)c1 ZINC000363919158 1038936455 /nfs/dbraw/zinc/93/64/55/1038936455.db2.gz GTMPDDWOVGPWNV-CYBMUJFWSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1csc(Br)c1 ZINC000363919158 1038936471 /nfs/dbraw/zinc/93/64/71/1038936471.db2.gz GTMPDDWOVGPWNV-CYBMUJFWSA-N 1 2 340.290 3.890 20 0 EHADLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(Sc3ccccn3)o2)CCO1 ZINC000668464483 1038945009 /nfs/dbraw/zinc/94/50/09/1038945009.db2.gz ZGWRENCMMRKEPU-SFHVURJKSA-N 1 2 330.453 3.827 20 0 EHADLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(Sc3ccccn3)o2)CCO1 ZINC000668464483 1038945019 /nfs/dbraw/zinc/94/50/19/1038945019.db2.gz ZGWRENCMMRKEPU-SFHVURJKSA-N 1 2 330.453 3.827 20 0 EHADLO CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC1(C)C ZINC000416738287 1038962033 /nfs/dbraw/zinc/96/20/33/1038962033.db2.gz QEWRTWROFCUTHP-MSOLQXFVSA-N 1 2 346.519 3.910 20 0 EHADLO Cc1cc([C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc2Cl)ccc1F ZINC000480018909 1039038817 /nfs/dbraw/zinc/03/88/17/1039038817.db2.gz ROPBJFHNZZPYGX-QZTJIDSGSA-N 1 2 346.833 3.745 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432750125 1039040379 /nfs/dbraw/zinc/04/03/79/1039040379.db2.gz XYTSISOKTDNPEA-OLZOCXBDSA-N 1 2 348.434 3.988 20 0 EHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432750125 1039040397 /nfs/dbraw/zinc/04/03/97/1039040397.db2.gz XYTSISOKTDNPEA-OLZOCXBDSA-N 1 2 348.434 3.988 20 0 EHADLO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000554200336 1039056988 /nfs/dbraw/zinc/05/69/88/1039056988.db2.gz WTDOFPANSDMSBC-KDOFPFPSSA-N 1 2 345.874 3.955 20 0 EHADLO CC1CCC([N@@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]2CCCO2)CC1 ZINC000195740715 1039088901 /nfs/dbraw/zinc/08/89/01/1039088901.db2.gz POVRTVMBKBWJRE-GPANFISMSA-N 1 2 335.492 3.927 20 0 EHADLO CC1CCC([N@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]2CCCO2)CC1 ZINC000195740715 1039088921 /nfs/dbraw/zinc/08/89/21/1039088921.db2.gz POVRTVMBKBWJRE-GPANFISMSA-N 1 2 335.492 3.927 20 0 EHADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000910816337 1039091083 /nfs/dbraw/zinc/09/10/83/1039091083.db2.gz APMCLINORIMRRE-LBPRGKRZSA-N 1 2 337.345 3.517 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326191 1039104714 /nfs/dbraw/zinc/10/47/14/1039104714.db2.gz WYUPFVAUCQHLFI-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326191 1039104718 /nfs/dbraw/zinc/10/47/18/1039104718.db2.gz WYUPFVAUCQHLFI-UHFFFAOYSA-N 1 2 339.414 3.994 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H](C)C1 ZINC000543972821 1039124934 /nfs/dbraw/zinc/12/49/34/1039124934.db2.gz BRAPFLIWKCWPIA-ZIFCJYIRSA-N 1 2 346.519 3.910 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2[nH+]1 ZINC000010896175 1039135826 /nfs/dbraw/zinc/13/58/26/1039135826.db2.gz PNAFDNVQHDUAFR-UHFFFAOYSA-N 1 2 344.212 3.815 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)oc1C ZINC000064140574 1039144817 /nfs/dbraw/zinc/14/48/17/1039144817.db2.gz UDUHPNNWVCPJMU-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000637581668 1039172721 /nfs/dbraw/zinc/17/27/21/1039172721.db2.gz UQNHYPSHCCCTSN-GUDVDZBRSA-N 1 2 338.455 3.566 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001167903606 1039177752 /nfs/dbraw/zinc/17/77/52/1039177752.db2.gz GEHKHCAHBBYKTC-CQSZACIVSA-N 1 2 347.377 3.695 20 0 EHADLO C[N@H+](Cc1nc(C2CC2)no1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304159 1039198266 /nfs/dbraw/zinc/19/82/66/1039198266.db2.gz QIWPKDDLSFNJPA-HOTGVXAUSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304159 1039198273 /nfs/dbraw/zinc/19/82/73/1039198273.db2.gz QIWPKDDLSFNJPA-HOTGVXAUSA-N 1 2 327.428 3.625 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)s1 ZINC000363961926 1039210233 /nfs/dbraw/zinc/21/02/33/1039210233.db2.gz KIUXVZYWZVTEJL-GOSISDBHSA-N 1 2 338.432 3.809 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[C@H](C)C3)cn2c1 ZINC000500709155 1039240662 /nfs/dbraw/zinc/24/06/62/1039240662.db2.gz AUEGLKRGEHRSEX-GOEBONIOSA-N 1 2 345.512 3.818 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccc4c[nH]nc4c2)C3)cc1 ZINC000488525161 1039243522 /nfs/dbraw/zinc/24/35/22/1039243522.db2.gz ODGQREJFSNHHEU-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccc4c[nH]nc4c2)C3)cc1 ZINC000488525161 1039243541 /nfs/dbraw/zinc/24/35/41/1039243541.db2.gz ODGQREJFSNHHEU-UHFFFAOYSA-N 1 2 343.434 3.615 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CCOC2(CCCC2)C1 ZINC000906037626 1039252262 /nfs/dbraw/zinc/25/22/62/1039252262.db2.gz RWFQJKSLKWPNHK-HNNXBMFYSA-N 1 2 325.412 3.550 20 0 EHADLO CC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccn1 ZINC000911142929 1039255016 /nfs/dbraw/zinc/25/50/16/1039255016.db2.gz YCHAUFBSQVFYHA-IAGOWNOFSA-N 1 2 334.423 3.594 20 0 EHADLO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651415817 1039303135 /nfs/dbraw/zinc/30/31/35/1039303135.db2.gz OAPJFCNMQSWOLK-RHSMWYFYSA-N 1 2 341.455 3.663 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651415819 1039303421 /nfs/dbraw/zinc/30/34/21/1039303421.db2.gz OAPJFCNMQSWOLK-YOEHRIQHSA-N 1 2 341.455 3.663 20 0 EHADLO C[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)Cn1cc[nH+]c1 ZINC000155856371 1039320061 /nfs/dbraw/zinc/32/00/61/1039320061.db2.gz URQBPHSSCODDFB-OAHLLOKOSA-N 1 2 347.418 3.573 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1C ZINC000431917306 1039342629 /nfs/dbraw/zinc/34/26/29/1039342629.db2.gz VPPIHEZDTISMEG-KFKAGJAMSA-N 1 2 338.451 3.715 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648712 1039350429 /nfs/dbraw/zinc/35/04/29/1039350429.db2.gz MBJZLXZWTCMKJT-NJAPINKUSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)(C)C ZINC000485648712 1039350443 /nfs/dbraw/zinc/35/04/43/1039350443.db2.gz MBJZLXZWTCMKJT-NJAPINKUSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554464408 1039360431 /nfs/dbraw/zinc/36/04/31/1039360431.db2.gz VXVYGENEQUPNHA-OAHLLOKOSA-N 1 2 341.459 3.807 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554463974 1039364058 /nfs/dbraw/zinc/36/40/58/1039364058.db2.gz PTCYQXAGJJXYET-KRWDZBQOSA-N 1 2 341.459 3.616 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554465866 1039365714 /nfs/dbraw/zinc/36/57/14/1039365714.db2.gz BKXGQTBXGMQCCN-HOTGVXAUSA-N 1 2 349.438 3.640 20 0 EHADLO Cc1cc(N2CCN(c3cccc(F)c3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000488748691 1039380892 /nfs/dbraw/zinc/38/08/92/1039380892.db2.gz QTSOTIMWEJZGAS-AWEZNQCLSA-N 1 2 326.419 3.517 20 0 EHADLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)CO1 ZINC000512479177 1039397349 /nfs/dbraw/zinc/39/73/49/1039397349.db2.gz FYSVYWSGAQTKKH-HNAYVOBHSA-N 1 2 327.399 3.861 20 0 EHADLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)CO1 ZINC000512479177 1039397363 /nfs/dbraw/zinc/39/73/63/1039397363.db2.gz FYSVYWSGAQTKKH-HNAYVOBHSA-N 1 2 327.399 3.861 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cnc1Cl ZINC000932197879 1039405695 /nfs/dbraw/zinc/40/56/95/1039405695.db2.gz RGIJXZPLGOIEHP-NSHDSACASA-N 1 2 325.840 3.785 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cnc1Cl ZINC000932197879 1039405704 /nfs/dbraw/zinc/40/57/04/1039405704.db2.gz RGIJXZPLGOIEHP-NSHDSACASA-N 1 2 325.840 3.785 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)nn2)cc1 ZINC000906272798 1039429074 /nfs/dbraw/zinc/42/90/74/1039429074.db2.gz HWPVPWFTTBDLBM-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3CCC[C@H]3c3cccc(C)n3)nn2)cc1 ZINC000906272798 1039429083 /nfs/dbraw/zinc/42/90/83/1039429083.db2.gz HWPVPWFTTBDLBM-FQEVSTJZSA-N 1 2 333.439 3.616 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)nn1 ZINC000906291174 1039453386 /nfs/dbraw/zinc/45/33/86/1039453386.db2.gz UCVWROYCDPUBLB-FQEVSTJZSA-N 1 2 340.471 3.718 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)nn1 ZINC000906291174 1039453393 /nfs/dbraw/zinc/45/33/93/1039453393.db2.gz UCVWROYCDPUBLB-FQEVSTJZSA-N 1 2 340.471 3.718 20 0 EHADLO O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666219 1039468318 /nfs/dbraw/zinc/46/83/18/1039468318.db2.gz GALFDZYCKUKYPF-AZUAARDMSA-N 1 2 337.467 3.706 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000488921253 1039471436 /nfs/dbraw/zinc/47/14/36/1039471436.db2.gz RCOOQVPGGKKIOC-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO c1ccc(OC2CCCC2)c(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485730580 1039475920 /nfs/dbraw/zinc/47/59/20/1039475920.db2.gz RKFVTTUGJKFQNQ-HXUWFJFHSA-N 1 2 345.483 3.635 20 0 EHADLO c1ccc(OC2CCCC2)c(C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485730580 1039475926 /nfs/dbraw/zinc/47/59/26/1039475926.db2.gz RKFVTTUGJKFQNQ-HXUWFJFHSA-N 1 2 345.483 3.635 20 0 EHADLO CCCCc1ccc([C@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)cc1 ZINC000554581271 1039508070 /nfs/dbraw/zinc/50/80/70/1039508070.db2.gz KKGHEHQRPOKNQJ-HXUWFJFHSA-N 1 2 327.472 3.819 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000667673331 1039535005 /nfs/dbraw/zinc/53/50/05/1039535005.db2.gz YGDOXAYKVSISCS-CQSZACIVSA-N 1 2 338.377 3.515 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000667673331 1039535015 /nfs/dbraw/zinc/53/50/15/1039535015.db2.gz YGDOXAYKVSISCS-CQSZACIVSA-N 1 2 338.377 3.515 20 0 EHADLO CSc1cc(C)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000417223047 1039554039 /nfs/dbraw/zinc/55/40/39/1039554039.db2.gz GBHJSZZPWUEBHY-UHFFFAOYSA-N 1 2 330.457 3.782 20 0 EHADLO CC(C)(C)OC1CC(CCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000432854363 1039560902 /nfs/dbraw/zinc/56/09/02/1039560902.db2.gz XMKWKAJEYZDFIC-UHFFFAOYSA-N 1 2 332.492 3.863 20 0 EHADLO CC(C)(C)OC1CC(CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000432854363 1039560919 /nfs/dbraw/zinc/56/09/19/1039560919.db2.gz XMKWKAJEYZDFIC-UHFFFAOYSA-N 1 2 332.492 3.863 20 0 EHADLO Cc1cc(Nc2ccc(NC3CCCC3)[nH+]c2)nc(-c2ccncc2)n1 ZINC000480484768 1039587472 /nfs/dbraw/zinc/58/74/72/1039587472.db2.gz QVGABIIBZWZSSG-UHFFFAOYSA-N 1 2 346.438 3.762 20 0 EHADLO C[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC000245768988 1039642294 /nfs/dbraw/zinc/64/22/94/1039642294.db2.gz WYFBDBMTVDBBKC-VQFNDLOPSA-N 1 2 330.472 3.530 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)ccn12 ZINC000584731518 1039643698 /nfs/dbraw/zinc/64/36/98/1039643698.db2.gz ZOEQOROWWXZCOV-INIZCTEOSA-N 1 2 348.450 3.734 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](CC1CC1)c1ccnc(Cl)c1)n1cc[nH+]c1 ZINC000893732046 1039651055 /nfs/dbraw/zinc/65/10/55/1039651055.db2.gz GSMKWPCPYWUZLI-WFASDCNBSA-N 1 2 333.819 3.967 20 0 EHADLO C[C@H](CC(=O)N1CCCSC[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000893737881 1039661116 /nfs/dbraw/zinc/66/11/16/1039661116.db2.gz LAOAKNLRICUNBY-WBVHZDCISA-N 1 2 329.469 3.541 20 0 EHADLO Cc1nc(-c2cccs2)sc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898900372 1039674543 /nfs/dbraw/zinc/67/45/43/1039674543.db2.gz VZTMILYDINYLJS-UHFFFAOYSA-N 1 2 346.481 3.542 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1Cl)CC1CC1 ZINC000367645951 1039697109 /nfs/dbraw/zinc/69/71/09/1039697109.db2.gz SNKRIECAYDQOEW-MRXNPFEDSA-N 1 2 343.858 3.538 20 0 EHADLO CCOc1c(Cl)cccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000485955785 1039720632 /nfs/dbraw/zinc/72/06/32/1039720632.db2.gz JCDZKZYGUBTSBC-UHFFFAOYSA-N 1 2 331.847 3.768 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)s1 ZINC000554839685 1039817439 /nfs/dbraw/zinc/81/74/39/1039817439.db2.gz LIMLXCQZSASWBZ-UHFFFAOYSA-N 1 2 344.480 3.699 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCC(C)=C(c3ccco3)C2)s1 ZINC000554839685 1039817465 /nfs/dbraw/zinc/81/74/65/1039817465.db2.gz LIMLXCQZSASWBZ-UHFFFAOYSA-N 1 2 344.480 3.699 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000048055363 1039882731 /nfs/dbraw/zinc/88/27/31/1039882731.db2.gz HJOHUUQZKSRLNN-UHFFFAOYSA-N 1 2 337.533 3.569 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)sc2C1 ZINC000667726528 1039895963 /nfs/dbraw/zinc/89/59/63/1039895963.db2.gz DGPQMGJUXLDEKK-JHJVBQTASA-N 1 2 344.484 3.524 20 0 EHADLO Cc1n[nH]c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C ZINC000893969269 1039897752 /nfs/dbraw/zinc/89/77/52/1039897752.db2.gz JOBRVLDRMOYEEU-AOOOYVTPSA-N 1 2 329.288 3.589 20 0 EHADLO Cc1n[nH]c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C ZINC000893969269 1039897758 /nfs/dbraw/zinc/89/77/58/1039897758.db2.gz JOBRVLDRMOYEEU-AOOOYVTPSA-N 1 2 329.288 3.589 20 0 EHADLO Cn1nc2c(c1C[N@H+](CCC(F)(F)F)Cc1ccccc1)CCC2 ZINC000893997543 1039936380 /nfs/dbraw/zinc/93/63/80/1039936380.db2.gz YPIFUEWBEFWXGR-UHFFFAOYSA-N 1 2 337.389 3.863 20 0 EHADLO Cn1nc2c(c1C[N@@H+](CCC(F)(F)F)Cc1ccccc1)CCC2 ZINC000893997543 1039936391 /nfs/dbraw/zinc/93/63/91/1039936391.db2.gz YPIFUEWBEFWXGR-UHFFFAOYSA-N 1 2 337.389 3.863 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000893988451 1039943202 /nfs/dbraw/zinc/94/32/02/1039943202.db2.gz YEFUQMLJXQNZGH-BUMILGAPSA-N 1 2 349.478 3.957 20 0 EHADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894018739 1039963973 /nfs/dbraw/zinc/96/39/73/1039963973.db2.gz BSMNNWGOWXWGMH-LJQANCHMSA-N 1 2 346.519 3.536 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000554965378 1039989818 /nfs/dbraw/zinc/98/98/18/1039989818.db2.gz JXSIYNYHFQATIY-IEBWSBKVSA-N 1 2 325.456 3.559 20 0 EHADLO COc1ccccc1O[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000553388757 1040026247 /nfs/dbraw/zinc/02/62/47/1040026247.db2.gz LQUKFBGFASJRIO-MRXNPFEDSA-N 1 2 341.455 3.965 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000668603421 1040036018 /nfs/dbraw/zinc/03/60/18/1040036018.db2.gz FZIRTRBGUKQUKQ-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000668603421 1040036033 /nfs/dbraw/zinc/03/60/33/1040036033.db2.gz FZIRTRBGUKQUKQ-UHFFFAOYSA-N 1 2 339.464 3.840 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667462458 1040103631 /nfs/dbraw/zinc/10/36/31/1040103631.db2.gz JIPWDVLOCFPJIQ-HXUWFJFHSA-N 1 2 334.423 3.613 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1)NCC1CC1 ZINC000428725395 1040106952 /nfs/dbraw/zinc/10/69/52/1040106952.db2.gz YRBHLKLTZJXEGC-UHFFFAOYSA-N 1 2 341.282 3.699 20 0 EHADLO FC(F)c1sccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000923964193 1040113363 /nfs/dbraw/zinc/11/33/63/1040113363.db2.gz QMNYKDGFPUBKKO-KOLCDFICSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1sccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000923964193 1040113369 /nfs/dbraw/zinc/11/33/69/1040113369.db2.gz QMNYKDGFPUBKKO-KOLCDFICSA-N 1 2 341.383 3.662 20 0 EHADLO CC(C)SCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815187 1040180227 /nfs/dbraw/zinc/18/02/27/1040180227.db2.gz IWDRYFVRGLMSFU-CQSZACIVSA-N 1 2 335.517 3.573 20 0 EHADLO CC(C)SCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815187 1040180237 /nfs/dbraw/zinc/18/02/37/1040180237.db2.gz IWDRYFVRGLMSFU-CQSZACIVSA-N 1 2 335.517 3.573 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCCCS1 ZINC000907816451 1040182976 /nfs/dbraw/zinc/18/29/76/1040182976.db2.gz TVEHLRQQJORFFJ-RHSMWYFYSA-N 1 2 347.528 3.717 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CCCCS1 ZINC000907816451 1040182987 /nfs/dbraw/zinc/18/29/87/1040182987.db2.gz TVEHLRQQJORFFJ-RHSMWYFYSA-N 1 2 347.528 3.717 20 0 EHADLO Clc1scc(CN2CC[NH+](Cc3cccnc3)CC2)c1Cl ZINC000432915902 1040184791 /nfs/dbraw/zinc/18/47/91/1040184791.db2.gz WMIKAIVJGCMJKN-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO COCc1csc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000667477781 1040190224 /nfs/dbraw/zinc/19/02/24/1040190224.db2.gz QIOAACQIWJSFMN-UHFFFAOYSA-N 1 2 332.469 3.582 20 0 EHADLO COCc1csc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000667477781 1040190237 /nfs/dbraw/zinc/19/02/37/1040190237.db2.gz QIOAACQIWJSFMN-UHFFFAOYSA-N 1 2 332.469 3.582 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000907809315 1040197255 /nfs/dbraw/zinc/19/72/55/1040197255.db2.gz JSXFRUWLCBDZSX-VQHPVUNQSA-N 1 2 341.499 3.867 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000907809315 1040197265 /nfs/dbraw/zinc/19/72/65/1040197265.db2.gz JSXFRUWLCBDZSX-VQHPVUNQSA-N 1 2 341.499 3.867 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CC[C@@H](Oc4cc[nH+]cc4)C1)(C3)C2 ZINC000907837165 1040198476 /nfs/dbraw/zinc/19/84/76/1040198476.db2.gz RXOMZFFVHNJQLR-IAZZRBKQSA-N 1 2 340.467 3.668 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)n(C)n1 ZINC000417744308 1040210313 /nfs/dbraw/zinc/21/03/13/1040210313.db2.gz YBLUSALNVPCZFC-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)n(C)n1 ZINC000417744308 1040210322 /nfs/dbraw/zinc/21/03/22/1040210322.db2.gz YBLUSALNVPCZFC-MRXNPFEDSA-N 1 2 334.261 3.828 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001126855459 1040216485 /nfs/dbraw/zinc/21/64/85/1040216485.db2.gz MEUVPNQHBGIUBZ-SFHVURJKSA-N 1 2 348.556 3.965 20 0 EHADLO Cc1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)n(C)n1 ZINC000417812784 1040244411 /nfs/dbraw/zinc/24/44/11/1040244411.db2.gz OTJQJOFHFZHCEB-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO Cc1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)n(C)n1 ZINC000417812784 1040244425 /nfs/dbraw/zinc/24/44/25/1040244425.db2.gz OTJQJOFHFZHCEB-UHFFFAOYSA-N 1 2 340.290 3.717 20 0 EHADLO CCn1nncc1C[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000417887768 1040290687 /nfs/dbraw/zinc/29/06/87/1040290687.db2.gz KJPCQNVUPDSFSA-INIZCTEOSA-N 1 2 332.860 3.892 20 0 EHADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000486650477 1040308338 /nfs/dbraw/zinc/30/83/38/1040308338.db2.gz JCESUNVIJUCUTO-DFQSSKMNSA-N 1 2 337.467 3.630 20 0 EHADLO O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2cccc[nH+]2)CC1 ZINC000364176672 1040343546 /nfs/dbraw/zinc/34/35/46/1040343546.db2.gz XLKMLQDUNWCQBW-QGZVFWFLSA-N 1 2 327.815 3.687 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccoc1C(=O)OC ZINC000490095008 1040353056 /nfs/dbraw/zinc/35/30/56/1040353056.db2.gz WMCIJFNXVUXUNP-HNNXBMFYSA-N 1 2 337.803 3.539 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000490095008 1040353072 /nfs/dbraw/zinc/35/30/72/1040353072.db2.gz WMCIJFNXVUXUNP-HNNXBMFYSA-N 1 2 337.803 3.539 20 0 EHADLO O=C(Cc1coc2ccc3ccccc3c12)NCCNc1cccc[nH+]1 ZINC000073832074 1040355943 /nfs/dbraw/zinc/35/59/43/1040355943.db2.gz GYYRWOAAKIYUBS-UHFFFAOYSA-N 1 2 345.402 3.752 20 0 EHADLO CCC[N@H+](Cc1cn(C2CCC2)nn1)[C@H](C)c1ccccc1OC ZINC000667515072 1040377850 /nfs/dbraw/zinc/37/78/50/1040377850.db2.gz VWNIMFVMZCHNGY-OAHLLOKOSA-N 1 2 328.460 3.985 20 0 EHADLO CCC[N@@H+](Cc1cn(C2CCC2)nn1)[C@H](C)c1ccccc1OC ZINC000667515072 1040377866 /nfs/dbraw/zinc/37/78/66/1040377866.db2.gz VWNIMFVMZCHNGY-OAHLLOKOSA-N 1 2 328.460 3.985 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649086 1040402208 /nfs/dbraw/zinc/40/22/08/1040402208.db2.gz OENIBPGXFAIYAQ-UTUOFQBUSA-N 1 2 334.382 3.526 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649086 1040402223 /nfs/dbraw/zinc/40/22/23/1040402223.db2.gz OENIBPGXFAIYAQ-UTUOFQBUSA-N 1 2 334.382 3.526 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000319194289 1040415770 /nfs/dbraw/zinc/41/57/70/1040415770.db2.gz PLHMORZYQUFYGR-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000319194289 1040415788 /nfs/dbraw/zinc/41/57/88/1040415788.db2.gz PLHMORZYQUFYGR-CQSZACIVSA-N 1 2 336.423 3.720 20 0 EHADLO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)cc1 ZINC000481177532 1040434841 /nfs/dbraw/zinc/43/48/41/1040434841.db2.gz QPRAWQBPUITPHW-MRXNPFEDSA-N 1 2 349.434 3.892 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(SC(F)F)cc1 ZINC000190618525 1040441442 /nfs/dbraw/zinc/44/14/42/1040441442.db2.gz HRFDUGZVAOUUPD-ZJUUUORDSA-N 1 2 339.415 3.735 20 0 EHADLO CCC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000486814847 1040467053 /nfs/dbraw/zinc/46/70/53/1040467053.db2.gz KICYCOSFGMFTOP-OAHLLOKOSA-N 1 2 338.854 3.922 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@](=O)C1 ZINC000433019687 1040467997 /nfs/dbraw/zinc/46/79/97/1040467997.db2.gz KWWPPZQBXXUUOO-BXKMTCNYSA-N 1 2 349.540 3.846 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@](=O)C1 ZINC000433019687 1040468013 /nfs/dbraw/zinc/46/80/13/1040468013.db2.gz KWWPPZQBXXUUOO-BXKMTCNYSA-N 1 2 349.540 3.846 20 0 EHADLO CCCOc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155056807 1040482646 /nfs/dbraw/zinc/48/26/46/1040482646.db2.gz JNAMUZBBRNTDJL-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(C)[nH+]1 ZINC000912982922 1040504267 /nfs/dbraw/zinc/50/42/67/1040504267.db2.gz UWRQYWHYBJUCQB-CGTJXYLNSA-N 1 2 326.827 3.728 20 0 EHADLO COCc1csc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000667532746 1040510589 /nfs/dbraw/zinc/51/05/89/1040510589.db2.gz XERNRRXANYVKLO-UHFFFAOYSA-N 1 2 339.464 3.639 20 0 EHADLO COCc1csc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000667532746 1040510610 /nfs/dbraw/zinc/51/06/10/1040510610.db2.gz XERNRRXANYVKLO-UHFFFAOYSA-N 1 2 339.464 3.639 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)o1 ZINC000433033617 1040517457 /nfs/dbraw/zinc/51/74/57/1040517457.db2.gz QGCFANHUYNCYJT-NPMABZOXSA-N 1 2 335.444 3.737 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)o1 ZINC000433033617 1040517472 /nfs/dbraw/zinc/51/74/72/1040517472.db2.gz QGCFANHUYNCYJT-NPMABZOXSA-N 1 2 335.444 3.737 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1csc(C2CCCCC2)n1 ZINC000663933560 1040517941 /nfs/dbraw/zinc/51/79/41/1040517941.db2.gz OXDJYXPCWJNSEA-UHFFFAOYSA-N 1 2 332.473 3.598 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000899451175 1040533094 /nfs/dbraw/zinc/53/30/94/1040533094.db2.gz SZNCKWSMNNBZLR-UHFFFAOYSA-N 1 2 340.254 3.592 20 0 EHADLO Brc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)nc1 ZINC000418105133 1040591323 /nfs/dbraw/zinc/59/13/23/1040591323.db2.gz ZDYJWFGRGOFFLQ-QGZVFWFLSA-N 1 2 347.256 3.888 20 0 EHADLO Brc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)nc1 ZINC000418105133 1040591338 /nfs/dbraw/zinc/59/13/38/1040591338.db2.gz ZDYJWFGRGOFFLQ-QGZVFWFLSA-N 1 2 347.256 3.888 20 0 EHADLO Cc1[nH]c(C2CCN(C(=O)c3cc4ccccc4cc3O)CC2)[nH+]c1C ZINC000899504180 1040616210 /nfs/dbraw/zinc/61/62/10/1040616210.db2.gz MBSKSLAOUPBZIX-UHFFFAOYSA-N 1 2 349.434 3.905 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000486983970 1040622244 /nfs/dbraw/zinc/62/22/44/1040622244.db2.gz XADJPSDRPKWUFS-LBPRGKRZSA-N 1 2 330.819 3.632 20 0 EHADLO Cc1nocc1C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000631208532 1040644836 /nfs/dbraw/zinc/64/48/36/1040644836.db2.gz CWMIIYJLRLVDNQ-UHFFFAOYSA-N 1 2 329.625 3.997 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000473473877 1040659892 /nfs/dbraw/zinc/65/98/92/1040659892.db2.gz TVNBEVSQTFANNL-ZACQAIPSSA-N 1 2 344.503 3.648 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1F ZINC000364285027 1040683075 /nfs/dbraw/zinc/68/30/75/1040683075.db2.gz UJYJKXTUCQPEJA-SJKOYZFVSA-N 1 2 349.837 3.752 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1cc(Br)cnc1OC ZINC000659869690 1040703766 /nfs/dbraw/zinc/70/37/66/1040703766.db2.gz YTHWLDIFGIKASA-UHFFFAOYSA-N 1 2 341.171 3.627 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1cc(Br)cnc1OC ZINC000659869690 1040703781 /nfs/dbraw/zinc/70/37/81/1040703781.db2.gz YTHWLDIFGIKASA-UHFFFAOYSA-N 1 2 341.171 3.627 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+][C@@H](C)c2nc(C)cs2)cn1 ZINC000490764636 1040723319 /nfs/dbraw/zinc/72/33/19/1040723319.db2.gz ZAGBKMLWWCVGQD-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO CC(C)(C)c1ccc(C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000908960654 1040738195 /nfs/dbraw/zinc/73/81/95/1040738195.db2.gz DJOUMKVHWTYZPA-UHFFFAOYSA-N 1 2 325.456 3.656 20 0 EHADLO CCC[N@H+](Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000614223025 1040743507 /nfs/dbraw/zinc/74/35/07/1040743507.db2.gz FTMHFGCVJHLSJD-UHFFFAOYSA-N 1 2 325.387 3.887 20 0 EHADLO CCC[N@@H+](Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000614223025 1040743517 /nfs/dbraw/zinc/74/35/17/1040743517.db2.gz FTMHFGCVJHLSJD-UHFFFAOYSA-N 1 2 325.387 3.887 20 0 EHADLO CCNC(=O)Nc1ccc(C)c(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000487186652 1040760391 /nfs/dbraw/zinc/76/03/91/1040760391.db2.gz KODOHBYNQFNBCK-UHFFFAOYSA-N 1 2 337.427 3.705 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000600164775 1040774129 /nfs/dbraw/zinc/77/41/29/1040774129.db2.gz NEZUEHGWPMXVRF-INIZCTEOSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000600164775 1040774141 /nfs/dbraw/zinc/77/41/41/1040774141.db2.gz NEZUEHGWPMXVRF-INIZCTEOSA-N 1 2 330.453 3.903 20 0 EHADLO C[C@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1c1ccccc1 ZINC000411367181 1040775204 /nfs/dbraw/zinc/77/52/04/1040775204.db2.gz RCIUJTAYOGDXPF-IRLDBZIGSA-N 1 2 345.446 3.741 20 0 EHADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(-c2ccco2)on1)c1ccccc1 ZINC000411395052 1040797263 /nfs/dbraw/zinc/79/72/63/1040797263.db2.gz VJRIDBYYDQOMTJ-ACJLOTCBSA-N 1 2 340.379 3.575 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364325550 1040802631 /nfs/dbraw/zinc/80/26/31/1040802631.db2.gz CHZNGMLUOKYYEE-MRXNPFEDSA-N 1 2 341.455 3.614 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000364325550 1040802646 /nfs/dbraw/zinc/80/26/46/1040802646.db2.gz CHZNGMLUOKYYEE-MRXNPFEDSA-N 1 2 341.455 3.614 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)[nH]1 ZINC000660372772 1040838387 /nfs/dbraw/zinc/83/83/87/1040838387.db2.gz YBUJHUNDUKJYNO-ZDUSSCGKSA-N 1 2 339.443 3.757 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(COC)cc1 ZINC000192535163 1040838553 /nfs/dbraw/zinc/83/85/53/1040838553.db2.gz QPWZLOREUCKPDB-UHFFFAOYSA-N 1 2 344.459 3.536 20 0 EHADLO CCc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)oc1CC ZINC000487241573 1040841309 /nfs/dbraw/zinc/84/13/09/1040841309.db2.gz NYYARXPQKLPSHS-UHFFFAOYSA-N 1 2 327.359 3.982 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)c(C)c3)cn2c1 ZINC000490994929 1040862873 /nfs/dbraw/zinc/86/28/73/1040862873.db2.gz MRNHYPKZKDKQGB-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO Cc1cc(CNc2cnn(Cc3ccccn3)c2)c2c([nH+]1)CCCC2 ZINC000893348285 1040879678 /nfs/dbraw/zinc/87/96/78/1040879678.db2.gz TUMISGKNWXOXNT-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C12CCCC2 ZINC000555596684 1040897173 /nfs/dbraw/zinc/89/71/73/1040897173.db2.gz YYMYXUZNIYQMBP-BBWFWOEESA-N 1 2 332.492 3.754 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000246347302 1040907791 /nfs/dbraw/zinc/90/77/91/1040907791.db2.gz FLAITPRIRGYMRU-ACJLOTCBSA-N 1 2 348.537 3.918 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000246347302 1040907811 /nfs/dbraw/zinc/90/78/11/1040907811.db2.gz FLAITPRIRGYMRU-ACJLOTCBSA-N 1 2 348.537 3.918 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc2ccccc21 ZINC000899654764 1040921165 /nfs/dbraw/zinc/92/11/65/1040921165.db2.gz IQCBBPAUUJIRPE-JXFKEZNVSA-N 1 2 333.435 3.866 20 0 EHADLO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000555644592 1040948735 /nfs/dbraw/zinc/94/87/35/1040948735.db2.gz HPJWJXQMOUNLGY-OLZOCXBDSA-N 1 2 329.206 3.554 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C)c(O)c2)c(C)c1 ZINC000500311696 1041031768 /nfs/dbraw/zinc/03/17/68/1041031768.db2.gz CREGMNXEFUQKFB-IBGZPJMESA-N 1 2 349.434 3.685 20 0 EHADLO CC(C)(C)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n[nH]1 ZINC000586817637 1041041121 /nfs/dbraw/zinc/04/11/21/1041041121.db2.gz DBRPRNIOYBHDRT-UHFFFAOYSA-N 1 2 343.818 3.799 20 0 EHADLO CCNC(=O)Nc1cccc(NCc2c[nH+]c3c(C)cccn23)c1C ZINC000433199281 1041048500 /nfs/dbraw/zinc/04/85/00/1041048500.db2.gz KSRKWFNAXXEJBQ-UHFFFAOYSA-N 1 2 337.427 3.705 20 0 EHADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419276976 1041051016 /nfs/dbraw/zinc/05/10/16/1041051016.db2.gz GEUIQSRSUVRIBG-QMTMVMCOSA-N 1 2 344.455 3.661 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239383 1041113847 /nfs/dbraw/zinc/11/38/47/1041113847.db2.gz GBDXQGPXUJKXFJ-AWEZNQCLSA-N 1 2 326.843 3.702 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433239383 1041113857 /nfs/dbraw/zinc/11/38/57/1041113857.db2.gz GBDXQGPXUJKXFJ-AWEZNQCLSA-N 1 2 326.843 3.702 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(F)c(Cl)c1 ZINC000433231072 1041119349 /nfs/dbraw/zinc/11/93/49/1041119349.db2.gz HWULDIBOAGEHRE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(F)c(Cl)c1 ZINC000433231072 1041119359 /nfs/dbraw/zinc/11/93/59/1041119359.db2.gz HWULDIBOAGEHRE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571062489 1041173381 /nfs/dbraw/zinc/17/33/81/1041173381.db2.gz VWXLUGHBNTVOBT-WBVHZDCISA-N 1 2 344.503 3.687 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000419310613 1041213834 /nfs/dbraw/zinc/21/38/34/1041213834.db2.gz COZWYSBUMVLKEV-UHFFFAOYSA-N 1 2 346.374 3.946 20 0 EHADLO O=C(CCCOc1ccc2c(c1)CCC2)Nc1cccc2[nH+]ccn21 ZINC000487988337 1041221002 /nfs/dbraw/zinc/22/10/02/1041221002.db2.gz NIRKSJGJPCATAO-UHFFFAOYSA-N 1 2 335.407 3.621 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070593 1041225146 /nfs/dbraw/zinc/22/51/46/1041225146.db2.gz PVYYXOICEMOSDN-BEFAXECRSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000296070593 1041225158 /nfs/dbraw/zinc/22/51/58/1041225158.db2.gz PVYYXOICEMOSDN-BEFAXECRSA-N 1 2 329.465 3.673 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433291614 1041227345 /nfs/dbraw/zinc/22/73/45/1041227345.db2.gz WRMAWCQZWGQMGJ-YPMHNXCESA-N 1 2 335.860 3.613 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433291614 1041227361 /nfs/dbraw/zinc/22/73/61/1041227361.db2.gz WRMAWCQZWGQMGJ-YPMHNXCESA-N 1 2 335.860 3.613 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000584334299 1041270986 /nfs/dbraw/zinc/27/09/86/1041270986.db2.gz ABCQOTLZWLEEOS-DLBZAZTESA-N 1 2 341.459 3.664 20 0 EHADLO Cc1nc([C@](C)([NH2+]C[C@@H](OC(C)C)c2ccccc2)C2CC2)no1 ZINC000433322600 1041278962 /nfs/dbraw/zinc/27/89/62/1041278962.db2.gz RHNQOUSEOLHMOE-IEBWSBKVSA-N 1 2 329.444 3.759 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccco1 ZINC000433329369 1041293114 /nfs/dbraw/zinc/29/31/14/1041293114.db2.gz XXIFAFUFCLQTLC-INIZCTEOSA-N 1 2 329.400 3.766 20 0 EHADLO CCC[N@H+](Cc1cc(C)nc(C)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660432758 1041317698 /nfs/dbraw/zinc/31/76/98/1041317698.db2.gz WSVAHVBBVPHGAQ-INIZCTEOSA-N 1 2 340.471 3.641 20 0 EHADLO CCC[N@@H+](Cc1cc(C)nc(C)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000660432758 1041317708 /nfs/dbraw/zinc/31/77/08/1041317708.db2.gz WSVAHVBBVPHGAQ-INIZCTEOSA-N 1 2 340.471 3.641 20 0 EHADLO Cc1cccc(C)c1OC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000500939872 1041392255 /nfs/dbraw/zinc/39/22/55/1041392255.db2.gz IBBAJMPYZYKGOX-INIZCTEOSA-N 1 2 343.471 3.569 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000419338670 1041414467 /nfs/dbraw/zinc/41/44/67/1041414467.db2.gz XCAAHMLTBBPROV-UHFFFAOYSA-N 1 2 346.374 3.946 20 0 EHADLO C[C@@H](CC(=O)NCC[C@H](c1ccccc1)C(F)(F)F)n1cc[nH+]c1 ZINC000576283262 1041424714 /nfs/dbraw/zinc/42/47/14/1041424714.db2.gz IAOYWZAWVWETJH-DZGCQCFKSA-N 1 2 339.361 3.687 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC000432043572 1041478189 /nfs/dbraw/zinc/47/81/89/1041478189.db2.gz ULDZURKITZRKIX-UHFFFAOYSA-N 1 2 329.492 3.795 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(C)c(F)c1)CCC2 ZINC000111313351 1041546037 /nfs/dbraw/zinc/54/60/37/1041546037.db2.gz WKQNBRYVHTYFKZ-INIZCTEOSA-N 1 2 347.459 3.847 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1)CCC2 ZINC000111313351 1041546041 /nfs/dbraw/zinc/54/60/41/1041546041.db2.gz WKQNBRYVHTYFKZ-INIZCTEOSA-N 1 2 347.459 3.847 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)s1 ZINC000511838794 1041678528 /nfs/dbraw/zinc/67/85/28/1041678528.db2.gz QRVUJXFYPNSWBQ-QAPCUYQASA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)s1 ZINC000511838794 1041678531 /nfs/dbraw/zinc/67/85/31/1041678531.db2.gz QRVUJXFYPNSWBQ-QAPCUYQASA-N 1 2 345.512 3.951 20 0 EHADLO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1OC(F)F ZINC000660583198 1041703399 /nfs/dbraw/zinc/70/33/99/1041703399.db2.gz AGVLAMCVVHTFRR-ZBFHGGJFSA-N 1 2 341.373 3.961 20 0 EHADLO Fc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1OC(F)F ZINC000660583198 1041703405 /nfs/dbraw/zinc/70/34/05/1041703405.db2.gz AGVLAMCVVHTFRR-ZBFHGGJFSA-N 1 2 341.373 3.961 20 0 EHADLO CO[C@@H](C[NH2+]C1(c2noc(C(F)F)n2)CCC1)C1CCCCC1 ZINC000660609365 1041714777 /nfs/dbraw/zinc/71/47/77/1041714777.db2.gz DJVZYDZHZZHKFI-LBPRGKRZSA-N 1 2 329.391 3.571 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000613754787 1041715018 /nfs/dbraw/zinc/71/50/18/1041715018.db2.gz BKYFDUAQSUYTLI-AWEZNQCLSA-N 1 2 340.345 3.885 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000613754787 1041715025 /nfs/dbraw/zinc/71/50/25/1041715025.db2.gz BKYFDUAQSUYTLI-AWEZNQCLSA-N 1 2 340.345 3.885 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=S)n2C)cc1 ZINC000026630071 1041721242 /nfs/dbraw/zinc/72/12/42/1041721242.db2.gz FVKMJEPUDRZXQT-CYBMUJFWSA-N 1 2 348.516 3.951 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=S)n2C)cc1 ZINC000026630071 1041721245 /nfs/dbraw/zinc/72/12/45/1041721245.db2.gz FVKMJEPUDRZXQT-CYBMUJFWSA-N 1 2 348.516 3.951 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccnc1 ZINC000660639547 1041744675 /nfs/dbraw/zinc/74/46/75/1041744675.db2.gz NDUQZABGOJOKPT-LJQANCHMSA-N 1 2 337.423 3.586 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C[C@@H]1C ZINC000660719193 1041785699 /nfs/dbraw/zinc/78/56/99/1041785699.db2.gz DDPDTQMCYXZVRW-IINYFYTJSA-N 1 2 347.684 3.744 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C[C@@H]1C ZINC000660719193 1041785708 /nfs/dbraw/zinc/78/57/08/1041785708.db2.gz DDPDTQMCYXZVRW-IINYFYTJSA-N 1 2 347.684 3.744 20 0 EHADLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000044438430 1041931864 /nfs/dbraw/zinc/93/18/64/1041931864.db2.gz VHPNGYGVJYNXLR-YJBOKZPZSA-N 1 2 336.426 3.578 20 0 EHADLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000044438430 1041931873 /nfs/dbraw/zinc/93/18/73/1041931873.db2.gz VHPNGYGVJYNXLR-YJBOKZPZSA-N 1 2 336.426 3.578 20 0 EHADLO CSCC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1nnc2ccccn21 ZINC000164310680 1041971165 /nfs/dbraw/zinc/97/11/65/1041971165.db2.gz WGOCKYGJVIISDS-KBPBESRZSA-N 1 2 330.457 3.776 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1C ZINC000661170960 1041981009 /nfs/dbraw/zinc/98/10/09/1041981009.db2.gz KXZOHWGFSPBQGJ-YWZLYKJASA-N 1 2 341.455 3.915 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@](C)(C4CC4)C3)o2)cc1C ZINC000661170960 1041981016 /nfs/dbraw/zinc/98/10/16/1041981016.db2.gz KXZOHWGFSPBQGJ-YWZLYKJASA-N 1 2 341.455 3.915 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170884 1041981801 /nfs/dbraw/zinc/98/18/01/1041981801.db2.gz SPGFHPSVGOEKPH-XIKOKIGWSA-N 1 2 347.846 3.952 20 0 EHADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170884 1041981807 /nfs/dbraw/zinc/98/18/07/1041981807.db2.gz SPGFHPSVGOEKPH-XIKOKIGWSA-N 1 2 347.846 3.952 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000025497922 1042109409 /nfs/dbraw/zinc/10/94/09/1042109409.db2.gz CCTQDCZVYAUBQF-STQMWFEESA-N 1 2 328.412 3.694 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000025497922 1042109416 /nfs/dbraw/zinc/10/94/16/1042109416.db2.gz CCTQDCZVYAUBQF-STQMWFEESA-N 1 2 328.412 3.694 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898341 1042155681 /nfs/dbraw/zinc/15/56/81/1042155681.db2.gz BWAFYCMOHGAUMD-RXVVDRJESA-N 1 2 336.483 3.557 20 0 EHADLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c(CC4CC4)nnc3C2)C1 ZINC000651898341 1042155685 /nfs/dbraw/zinc/15/56/85/1042155685.db2.gz BWAFYCMOHGAUMD-RXVVDRJESA-N 1 2 336.483 3.557 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514211 1042160365 /nfs/dbraw/zinc/16/03/65/1042160365.db2.gz NTVAXQKUICGKIX-MGPUTAFESA-N 1 2 338.426 3.546 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514211 1042160368 /nfs/dbraw/zinc/16/03/68/1042160368.db2.gz NTVAXQKUICGKIX-MGPUTAFESA-N 1 2 338.426 3.546 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000066889768 1042209451 /nfs/dbraw/zinc/20/94/51/1042209451.db2.gz KQEROFPREWZMSF-FQEVSTJZSA-N 1 2 346.434 3.823 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000046105903 1042222739 /nfs/dbraw/zinc/22/27/39/1042222739.db2.gz DREATGMCKIJTRF-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO O=C(NCCCC1CCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661825206 1042352442 /nfs/dbraw/zinc/35/24/42/1042352442.db2.gz VVLFKLIJPBCPTQ-KRWDZBQOSA-N 1 2 344.503 3.689 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000661873447 1042379960 /nfs/dbraw/zinc/37/99/60/1042379960.db2.gz FKTYZARLQICSBM-NWDGAFQWSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000661873447 1042379966 /nfs/dbraw/zinc/37/99/66/1042379966.db2.gz FKTYZARLQICSBM-NWDGAFQWSA-N 1 2 345.306 3.687 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000661905753 1042396711 /nfs/dbraw/zinc/39/67/11/1042396711.db2.gz UXFCPDSUUKZYNJ-GOEBONIOSA-N 1 2 344.846 3.508 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000661954027 1042427045 /nfs/dbraw/zinc/42/70/45/1042427045.db2.gz TXWOLRXSWUINHR-UHFFFAOYSA-N 1 2 345.830 3.725 20 0 EHADLO Brc1cccc2c3c([nH]c21)CCN(c1cccc[nH+]1)C3 ZINC000048962761 1042435807 /nfs/dbraw/zinc/43/58/07/1042435807.db2.gz AHCRAFQYTQWCGB-UHFFFAOYSA-N 1 2 328.213 3.888 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000025545361 1042473425 /nfs/dbraw/zinc/47/34/25/1042473425.db2.gz ORTICQNTZSMGQE-ZDUSSCGKSA-N 1 2 328.412 3.694 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2ccon2)CC1 ZINC000662046324 1042479672 /nfs/dbraw/zinc/47/96/72/1042479672.db2.gz ATVWOSGCBVMGMX-NSHDSACASA-N 1 2 330.413 3.727 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccon3)CC2)c(Cl)c1 ZINC000662048441 1042480930 /nfs/dbraw/zinc/48/09/30/1042480930.db2.gz ZYRKUDNUNKVSAK-CYBMUJFWSA-N 1 2 347.846 3.843 20 0 EHADLO OCc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000662091368 1042512781 /nfs/dbraw/zinc/51/27/81/1042512781.db2.gz FLZRMKFCKHESSV-QGZVFWFLSA-N 1 2 332.241 3.888 20 0 EHADLO OCc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000662091368 1042512784 /nfs/dbraw/zinc/51/27/84/1042512784.db2.gz FLZRMKFCKHESSV-QGZVFWFLSA-N 1 2 332.241 3.888 20 0 EHADLO Brc1ccc([C@@H]2CC[N@@H+]2CCO[C@H]2CCCCO2)cc1 ZINC000662094495 1042514786 /nfs/dbraw/zinc/51/47/86/1042514786.db2.gz MXJDSVPFTOKDSD-HOTGVXAUSA-N 1 2 340.261 3.739 20 0 EHADLO Brc1ccc([C@@H]2CC[N@H+]2CCO[C@H]2CCCCO2)cc1 ZINC000662094495 1042514790 /nfs/dbraw/zinc/51/47/90/1042514790.db2.gz MXJDSVPFTOKDSD-HOTGVXAUSA-N 1 2 340.261 3.739 20 0 EHADLO CCN(C(=O)C[NH2+][C@@H](C)c1nccs1)[C@H](C)c1ccc(F)cc1 ZINC000184402910 1042520801 /nfs/dbraw/zinc/52/08/01/1042520801.db2.gz BFROGAPZWICIKS-QWHCGFSZSA-N 1 2 335.448 3.543 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@H]2CCc3ccccc32)c1C ZINC000662197693 1042579667 /nfs/dbraw/zinc/57/96/67/1042579667.db2.gz CTABRWNQSXXLOX-QGZVFWFLSA-N 1 2 338.451 3.679 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@H]2CCc3ccccc32)c1C ZINC000662197693 1042579671 /nfs/dbraw/zinc/57/96/71/1042579671.db2.gz CTABRWNQSXXLOX-QGZVFWFLSA-N 1 2 338.451 3.679 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000662215289 1042611015 /nfs/dbraw/zinc/61/10/15/1042611015.db2.gz SNQBAXBRFHENRS-AWEZNQCLSA-N 1 2 325.412 3.633 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000662241927 1042628810 /nfs/dbraw/zinc/62/88/10/1042628810.db2.gz YVCNCTZRLQRRGW-UKRRQHHQSA-N 1 2 329.362 3.691 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000662241927 1042628811 /nfs/dbraw/zinc/62/88/11/1042628811.db2.gz YVCNCTZRLQRRGW-UKRRQHHQSA-N 1 2 329.362 3.691 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662244794 1042632261 /nfs/dbraw/zinc/63/22/61/1042632261.db2.gz VJAJHKDCHAZGPZ-ZIAGYGMSSA-N 1 2 347.377 3.506 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662244794 1042632263 /nfs/dbraw/zinc/63/22/63/1042632263.db2.gz VJAJHKDCHAZGPZ-ZIAGYGMSSA-N 1 2 347.377 3.506 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cs1 ZINC000165208180 1042670248 /nfs/dbraw/zinc/67/02/48/1042670248.db2.gz RGNYIKIHPLEKFS-RYUDHWBXSA-N 1 2 333.457 3.660 20 0 EHADLO CCOc1ccccc1N1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663316599 1042673307 /nfs/dbraw/zinc/67/33/07/1042673307.db2.gz GGAVOSLKXSKTJI-UHFFFAOYSA-N 1 2 348.450 3.542 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000662332165 1042686276 /nfs/dbraw/zinc/68/62/76/1042686276.db2.gz NVVAKUVCBBDXMW-UHFFFAOYSA-N 1 2 341.476 3.601 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000662332165 1042686280 /nfs/dbraw/zinc/68/62/80/1042686280.db2.gz NVVAKUVCBBDXMW-UHFFFAOYSA-N 1 2 341.476 3.601 20 0 EHADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000662370385 1042695495 /nfs/dbraw/zinc/69/54/95/1042695495.db2.gz CJJRLJZIVGHKIZ-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000662370385 1042695498 /nfs/dbraw/zinc/69/54/98/1042695498.db2.gz CJJRLJZIVGHKIZ-IBGZPJMESA-N 1 2 348.393 3.517 20 0 EHADLO CCOC(=O)CC1(Nc2cc(C)c3[nH]ccc3[nH+]2)Cc2ccccc2C1 ZINC001167801922 1042751795 /nfs/dbraw/zinc/75/17/95/1042751795.db2.gz IIQNHDSSVRMFTK-UHFFFAOYSA-N 1 2 349.434 3.774 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1ccc([NH+](C)C)cc1C ZINC000121426924 1042772153 /nfs/dbraw/zinc/77/21/53/1042772153.db2.gz XITQMJNKZOOIPW-UHFFFAOYSA-N 1 2 330.428 3.699 20 0 EHADLO CC(C)(C)C[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000140685645 1042835987 /nfs/dbraw/zinc/83/59/87/1042835987.db2.gz HBEWAUIOWWMUPL-KRWDZBQOSA-N 1 2 344.503 3.661 20 0 EHADLO CCN(C(=O)C[NH2+]Cc1c(Cl)ccnc1Cl)c1ccccc1 ZINC001207565181 1042861300 /nfs/dbraw/zinc/86/13/00/1042861300.db2.gz QJWSMXFHMNHYPQ-UHFFFAOYSA-N 1 2 338.238 3.531 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1cc2n(n1)CCCC2 ZINC000663475661 1042908483 /nfs/dbraw/zinc/90/84/83/1042908483.db2.gz RSCJEURIHQTJSK-CRAIPNDOSA-N 1 2 347.466 3.743 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1cc2n(n1)CCCC2 ZINC000663475663 1042909040 /nfs/dbraw/zinc/90/90/40/1042909040.db2.gz RSCJEURIHQTJSK-MAUKXSAKSA-N 1 2 347.466 3.743 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000343948094 1042919386 /nfs/dbraw/zinc/91/93/86/1042919386.db2.gz CSQQTIFECCAQAB-LJQANCHMSA-N 1 2 336.439 3.859 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000343948094 1042919390 /nfs/dbraw/zinc/91/93/90/1042919390.db2.gz CSQQTIFECCAQAB-LJQANCHMSA-N 1 2 336.439 3.859 20 0 EHADLO Cc1nc2ccccc2nc1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000303737760 1042944738 /nfs/dbraw/zinc/94/47/38/1042944738.db2.gz XGLFPHPIHHHGKU-KRWDZBQOSA-N 1 2 342.393 3.931 20 0 EHADLO Cc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920402 1042950774 /nfs/dbraw/zinc/95/07/74/1042950774.db2.gz UAGBHQQVAIJFLY-UHFFFAOYSA-N 1 2 338.455 3.939 20 0 EHADLO Cc1ncc2c(n1)CC[C@H](Nc1[nH+]cccc1OCc1ccccc1)C2 ZINC000663503553 1042953192 /nfs/dbraw/zinc/95/31/92/1042953192.db2.gz PBDWXYHCBULTBO-SFHVURJKSA-N 1 2 346.434 3.728 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000663537422 1042979507 /nfs/dbraw/zinc/97/95/07/1042979507.db2.gz HWPSHCXDXWLTBM-KRWDZBQOSA-N 1 2 333.391 3.887 20 0 EHADLO COC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000432408958 1043109617 /nfs/dbraw/zinc/10/96/17/1043109617.db2.gz DPBGNHBBTYXMKH-UHFFFAOYSA-N 1 2 327.409 3.641 20 0 EHADLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)n1 ZINC000348554405 1043183119 /nfs/dbraw/zinc/18/31/19/1043183119.db2.gz RMKKVSKLXSZXAM-SFHVURJKSA-N 1 2 345.512 3.787 20 0 EHADLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)n1 ZINC000348554405 1043183129 /nfs/dbraw/zinc/18/31/29/1043183129.db2.gz RMKKVSKLXSZXAM-SFHVURJKSA-N 1 2 345.512 3.787 20 0 EHADLO C[C@H]1CCCC[C@H]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512118121 1043309200 /nfs/dbraw/zinc/30/92/00/1043309200.db2.gz GHOJYGLOKUXCIB-IRXDYDNUSA-N 1 2 344.503 3.566 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(F)c3ccccc32)n1 ZINC000344147888 1043331479 /nfs/dbraw/zinc/33/14/79/1043331479.db2.gz RFQSTAGEGSIEQI-VXGBXAGGSA-N 1 2 329.375 3.920 20 0 EHADLO CCCCN(CC(F)(F)F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344218318 1043461411 /nfs/dbraw/zinc/46/14/11/1043461411.db2.gz JZNFUIDXNJTNFK-UHFFFAOYSA-N 1 2 325.334 3.677 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000344234256 1043480875 /nfs/dbraw/zinc/48/08/75/1043480875.db2.gz JEJKZEGTGCMOQT-JCQPUDPBSA-N 1 2 335.419 3.692 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000344234256 1043480882 /nfs/dbraw/zinc/48/08/82/1043480882.db2.gz JEJKZEGTGCMOQT-JCQPUDPBSA-N 1 2 335.419 3.692 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCCc2occc2C1 ZINC000344288302 1043599686 /nfs/dbraw/zinc/59/96/86/1043599686.db2.gz LWUFKIPAMDZBRT-AWEZNQCLSA-N 1 2 342.464 3.555 20 0 EHADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCCc2occc2C1 ZINC000344288302 1043599693 /nfs/dbraw/zinc/59/96/93/1043599693.db2.gz LWUFKIPAMDZBRT-AWEZNQCLSA-N 1 2 342.464 3.555 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)s1 ZINC000279229788 1043610593 /nfs/dbraw/zinc/61/05/93/1043610593.db2.gz YNXYPPPIGXXVSX-UHFFFAOYSA-N 1 2 340.496 3.975 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCCc3occc3C2)c1C ZINC000344309151 1043632777 /nfs/dbraw/zinc/63/27/77/1043632777.db2.gz XVAIHELDVGPJSF-HNNXBMFYSA-N 1 2 344.455 3.536 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCCc3occc3C2)c1C ZINC000344309151 1043632782 /nfs/dbraw/zinc/63/27/82/1043632782.db2.gz XVAIHELDVGPJSF-HNNXBMFYSA-N 1 2 344.455 3.536 20 0 EHADLO CC[N@H+](CC1CC1)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000261484653 1043724341 /nfs/dbraw/zinc/72/43/41/1043724341.db2.gz ZSWNPWISHISABH-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO CC[N@@H+](CC1CC1)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000261484653 1043724353 /nfs/dbraw/zinc/72/43/53/1043724353.db2.gz ZSWNPWISHISABH-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO Cc1ccc(CCC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000279301889 1043768470 /nfs/dbraw/zinc/76/84/70/1043768470.db2.gz ZYNNCMWZBIGKPX-UHFFFAOYSA-N 1 2 325.456 3.522 20 0 EHADLO C[C@H]1CCN(c2ccc(Nc3ccccc3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000663713984 1043790657 /nfs/dbraw/zinc/79/06/57/1043790657.db2.gz KKBSBQPNPMAQGO-RDJZCZTQSA-N 1 2 334.427 3.504 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc(C)c1Br ZINC000613977023 1043813708 /nfs/dbraw/zinc/81/37/08/1043813708.db2.gz OTNYAOFKIGYQRO-CHWSQXEVSA-N 1 2 348.244 3.542 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000344374715 1043820749 /nfs/dbraw/zinc/82/07/49/1043820749.db2.gz XBGMLGYZPOWCFI-UHFFFAOYSA-N 1 2 337.345 3.542 20 0 EHADLO CC(C)(C)C[N@@H+](Cc1ccccc1)CN1c2ccccc2C(=O)C1=O ZINC000728902448 1043861873 /nfs/dbraw/zinc/86/18/73/1043861873.db2.gz KIVPMSYWPKHIDP-UHFFFAOYSA-N 1 2 336.435 3.722 20 0 EHADLO CC(C)(C)C[N@H+](Cc1ccccc1)CN1c2ccccc2C(=O)C1=O ZINC000728902448 1043861890 /nfs/dbraw/zinc/86/18/90/1043861890.db2.gz KIVPMSYWPKHIDP-UHFFFAOYSA-N 1 2 336.435 3.722 20 0 EHADLO O=C1C[C@@H]([NH2+]Cc2csc(C3CC3)n2)CN1c1ccccc1Cl ZINC000344411760 1043973032 /nfs/dbraw/zinc/97/30/32/1043973032.db2.gz UBQRXNPBCWATGW-GFCCVEGCSA-N 1 2 347.871 3.569 20 0 EHADLO CCc1ccsc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279500401 1044148533 /nfs/dbraw/zinc/14/85/33/1044148533.db2.gz JPKIZRAWTWPTJV-UHFFFAOYSA-N 1 2 343.496 3.863 20 0 EHADLO COc1cc(Cl)c(NC(=O)NCCCNc2cccc[nH+]2)cc1C ZINC000344608539 1044191119 /nfs/dbraw/zinc/19/11/19/1044191119.db2.gz CPRAGPNOMUGRTE-UHFFFAOYSA-N 1 2 348.834 3.676 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000279529707 1044192687 /nfs/dbraw/zinc/19/26/87/1044192687.db2.gz VUSIFBZPXKQKLP-MRXNPFEDSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000344642583 1044219892 /nfs/dbraw/zinc/21/98/92/1044219892.db2.gz RPYBPPFYRMUDPG-INIZCTEOSA-N 1 2 347.484 3.509 20 0 EHADLO CCOc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)ccc1OC ZINC000344715936 1044332125 /nfs/dbraw/zinc/33/21/25/1044332125.db2.gz ZHTCBDCNZGSODF-LBPRGKRZSA-N 1 2 336.457 3.548 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)sc1C ZINC000279629779 1044334767 /nfs/dbraw/zinc/33/47/67/1044334767.db2.gz HUMGTALPUVTCIG-ZDUSSCGKSA-N 1 2 336.482 3.945 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)sc1C ZINC000279629779 1044334782 /nfs/dbraw/zinc/33/47/82/1044334782.db2.gz HUMGTALPUVTCIG-ZDUSSCGKSA-N 1 2 336.482 3.945 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC(Cc2ccccc2)C1 ZINC000644872305 1044374266 /nfs/dbraw/zinc/37/42/66/1044374266.db2.gz IZMAYYCJATWCQK-FQEVSTJZSA-N 1 2 345.446 3.633 20 0 EHADLO Cc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c2c(n1)CCCC2 ZINC000893700473 1044461221 /nfs/dbraw/zinc/46/12/21/1044461221.db2.gz DNTKIVNNQFEFKC-UHFFFAOYSA-N 1 2 343.471 3.862 20 0 EHADLO CCOc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000112232669 1044590183 /nfs/dbraw/zinc/59/01/83/1044590183.db2.gz CSYUUNFPSFXMRR-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO CO[C@@H](C[NH2+]C1(c2noc(C)n2)CCCC1)c1ccc(Cl)cc1 ZINC000338287886 1044854360 /nfs/dbraw/zinc/85/43/60/1044854360.db2.gz UYOJOOINJQDLCJ-HNNXBMFYSA-N 1 2 335.835 3.778 20 0 EHADLO Oc1ccccc1C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CCCO1 ZINC000183513356 1125585327 /nfs/dbraw/zinc/58/53/27/1125585327.db2.gz OJDAFXPJWXAKIM-MRXNPFEDSA-N 1 2 347.842 3.932 20 0 EHADLO Oc1ccccc1C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CCCO1 ZINC000183513356 1125585331 /nfs/dbraw/zinc/58/53/31/1125585331.db2.gz OJDAFXPJWXAKIM-MRXNPFEDSA-N 1 2 347.842 3.932 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000620688708 1125647539 /nfs/dbraw/zinc/64/75/39/1125647539.db2.gz DBIWPDJHKCQZTL-QGZVFWFLSA-N 1 2 338.455 3.700 20 0 EHADLO C[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)Cn1cc[nH+]c1 ZINC000153715370 1125652376 /nfs/dbraw/zinc/65/23/76/1125652376.db2.gz MNOUCFARJOHBNI-HNNXBMFYSA-N 1 2 347.418 3.778 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC1CC1 ZINC000153729500 1125653388 /nfs/dbraw/zinc/65/33/88/1125653388.db2.gz URLSMOUKMFSWIT-UHFFFAOYSA-N 1 2 333.391 3.913 20 0 EHADLO C[C@H]1CC[C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000622546436 1126715062 /nfs/dbraw/zinc/71/50/62/1126715062.db2.gz WPOQVXYSGVFMJI-SHTZXODSSA-N 1 2 334.891 3.641 20 0 EHADLO C[C@H]1CC[C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000622546436 1126715065 /nfs/dbraw/zinc/71/50/65/1126715065.db2.gz WPOQVXYSGVFMJI-SHTZXODSSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CC(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546224 1126715431 /nfs/dbraw/zinc/71/54/31/1126715431.db2.gz MWMUUKOOWGBHPT-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO CC1(C)CC(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000622546224 1126715435 /nfs/dbraw/zinc/71/54/35/1126715435.db2.gz MWMUUKOOWGBHPT-UHFFFAOYSA-N 1 2 334.891 3.641 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1OC ZINC000173373945 1126829934 /nfs/dbraw/zinc/82/99/34/1126829934.db2.gz SWUIKQTWOKGYAA-CYBMUJFWSA-N 1 2 337.423 3.806 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000339461824 1126845299 /nfs/dbraw/zinc/84/52/99/1126845299.db2.gz FERYHURNVZXFCD-SSDOTTSWSA-N 1 2 330.226 3.599 20 0 EHADLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccsc1 ZINC000623044326 1126865128 /nfs/dbraw/zinc/86/51/28/1126865128.db2.gz DERUTINULJOQDV-UHFFFAOYSA-N 1 2 342.508 3.808 20 0 EHADLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccsc1 ZINC000623044326 1126865132 /nfs/dbraw/zinc/86/51/32/1126865132.db2.gz DERUTINULJOQDV-UHFFFAOYSA-N 1 2 342.508 3.808 20 0 EHADLO CC(C)c1noc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000623166640 1126888071 /nfs/dbraw/zinc/88/80/71/1126888071.db2.gz QRMWXLUEBBXGEQ-UHFFFAOYSA-N 1 2 343.427 3.867 20 0 EHADLO CC(C)c1noc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000623166640 1126888075 /nfs/dbraw/zinc/88/80/75/1126888075.db2.gz QRMWXLUEBBXGEQ-UHFFFAOYSA-N 1 2 343.427 3.867 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000623245336 1126905295 /nfs/dbraw/zinc/90/52/95/1126905295.db2.gz ZLKVDCRROZDQBM-UHFFFAOYSA-N 1 2 345.406 3.617 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1sc2cc(F)ccc2c1Cl ZINC000623298242 1126910768 /nfs/dbraw/zinc/91/07/68/1126910768.db2.gz YPFHWZHZOLRUGC-SNVBAGLBSA-N 1 2 349.818 3.635 20 0 EHADLO Cc1cccc2sc(C(=O)N[C@H]3CCn4c[nH+]cc4C3)c(Cl)c21 ZINC000623299807 1126910787 /nfs/dbraw/zinc/91/07/87/1126910787.db2.gz DCXZGDPAGPZDKY-NSHDSACASA-N 1 2 345.855 3.804 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623306311 1126911526 /nfs/dbraw/zinc/91/15/26/1126911526.db2.gz KLXQSGZCOCRLPR-QAPCUYQASA-N 1 2 325.456 3.631 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000072919747 1126935085 /nfs/dbraw/zinc/93/50/85/1126935085.db2.gz ACVYBWZOVMSYNI-LBPRGKRZSA-N 1 2 340.358 3.582 20 0 EHADLO Cc1cc(C[NH2+]C(C)(C)c2nccs2)ncc1Br ZINC000623422305 1126950829 /nfs/dbraw/zinc/95/08/29/1126950829.db2.gz QNYFZBQPMDOCGV-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185602797 1126954920 /nfs/dbraw/zinc/95/49/20/1126954920.db2.gz KAUBFEHPECNXAL-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185602797 1126954921 /nfs/dbraw/zinc/95/49/21/1126954921.db2.gz KAUBFEHPECNXAL-MOPGFXCFSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623470167 1126962279 /nfs/dbraw/zinc/96/22/79/1126962279.db2.gz BPKVPASTRMNZSM-AZUAARDMSA-N 1 2 340.515 3.704 20 0 EHADLO COc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1OC1CC1 ZINC000623490311 1126966165 /nfs/dbraw/zinc/96/61/65/1126966165.db2.gz GHRNNMBBFAUROA-HNNXBMFYSA-N 1 2 347.361 3.738 20 0 EHADLO CC(C)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177922009 1127002180 /nfs/dbraw/zinc/00/21/80/1127002180.db2.gz CHPZLPRZXTUPQQ-SFHVURJKSA-N 1 2 336.439 3.573 20 0 EHADLO Fc1ccc2c(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)coc2c1 ZINC000350189934 1127065736 /nfs/dbraw/zinc/06/57/36/1127065736.db2.gz MVCDBNSHMRWZGU-MLGOLLRUSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2c(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)coc2c1 ZINC000350189934 1127065738 /nfs/dbraw/zinc/06/57/38/1127065738.db2.gz MVCDBNSHMRWZGU-MLGOLLRUSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cnc(N3CCCC3)nc2)CCC1 ZINC000623843113 1127198944 /nfs/dbraw/zinc/19/89/44/1127198944.db2.gz CSQITXACNVYHMK-UHFFFAOYSA-N 1 2 344.409 3.524 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H]1CCCc3scnc31)O[C@@H](C)C2 ZINC000623859189 1127200108 /nfs/dbraw/zinc/20/01/08/1127200108.db2.gz DZBBDDPYSFSZRP-FZMZJTMJSA-N 1 2 330.453 3.642 20 0 EHADLO O=C1[C@H]([NH2+][C@@H]2CCCc3scnc32)CCN1c1ccccc1Cl ZINC000623913211 1127213408 /nfs/dbraw/zinc/21/34/08/1127213408.db2.gz ISQDUSOWOZXCKU-CHWSQXEVSA-N 1 2 347.871 3.569 20 0 EHADLO O=C1[C@@H]([NH2+][C@@H]2CCCc3scnc32)CCN1c1ccccc1Cl ZINC000623913212 1127213652 /nfs/dbraw/zinc/21/36/52/1127213652.db2.gz ISQDUSOWOZXCKU-OLZOCXBDSA-N 1 2 347.871 3.569 20 0 EHADLO C[C@H]([NH2+]C1CCSCC1)c1cc(Br)cc(F)c1O ZINC000185978999 1127218260 /nfs/dbraw/zinc/21/82/60/1127218260.db2.gz CSAVYZYHPKXHKX-QMMMGPOBSA-N 1 2 334.254 3.840 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)n1 ZINC000623978545 1127226799 /nfs/dbraw/zinc/22/67/99/1127226799.db2.gz XNEBSEVNPRTXHD-JTQLQIEISA-N 1 2 331.363 3.638 20 0 EHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1C(F)(F)F ZINC000624010118 1127232679 /nfs/dbraw/zinc/23/26/79/1127232679.db2.gz IIVLVFZHDWGXNH-ZDMBXUJBSA-N 1 2 328.313 3.793 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)cs1 ZINC000624053443 1127243718 /nfs/dbraw/zinc/24/37/18/1127243718.db2.gz GDYAZINVJBBUFY-VIFPVBQESA-N 1 2 332.395 3.870 20 0 EHADLO O=C(CCc1cncc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000181003246 1127263785 /nfs/dbraw/zinc/26/37/85/1127263785.db2.gz PBLMVWCWNLQNGM-UHFFFAOYSA-N 1 2 344.777 3.631 20 0 EHADLO CCC1(CC)CC[NH+](Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000186112062 1127276195 /nfs/dbraw/zinc/27/61/95/1127276195.db2.gz XMVMGBWEXZUKDM-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000182289528 1127321709 /nfs/dbraw/zinc/32/17/09/1127321709.db2.gz IYXLXNGCQDAXGG-NEPJUHHUSA-N 1 2 334.441 3.820 20 0 EHADLO O=C(/C=C\C1CCCCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001127724220 1127333990 /nfs/dbraw/zinc/33/39/90/1127333990.db2.gz SYCVRQKNHZUTIA-KHPPLWFESA-N 1 2 344.474 3.997 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ncnn3CC(C)C)oc21 ZINC000182650839 1127341174 /nfs/dbraw/zinc/34/11/74/1127341174.db2.gz ZWHJHGJKTVTUNP-AWEZNQCLSA-N 1 2 342.443 3.930 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000186143655 1127351111 /nfs/dbraw/zinc/35/11/11/1127351111.db2.gz JNLOLPWVVOKQPP-MWLCHTKSSA-N 1 2 348.256 3.742 20 0 EHADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000182908689 1127353534 /nfs/dbraw/zinc/35/35/34/1127353534.db2.gz WODSXQNKXDYBDP-RKNYENMMSA-N 1 2 343.427 3.922 20 0 EHADLO CN(Cc1ccccc1Br)Cc1cccc2[nH+]ccn21 ZINC000183521306 1127379590 /nfs/dbraw/zinc/37/95/90/1127379590.db2.gz OUZACASNPMWGHX-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)n1 ZINC000184156055 1127396520 /nfs/dbraw/zinc/39/65/20/1127396520.db2.gz SHFAAZYBRBSBQW-NWDGAFQWSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)n1 ZINC000184255768 1127399664 /nfs/dbraw/zinc/39/96/64/1127399664.db2.gz OCCNRBLVFACSAK-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO Cc1ccnn1-c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184302834 1127400613 /nfs/dbraw/zinc/40/06/13/1127400613.db2.gz IYYJPZMONCNFQY-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184476427 1127405978 /nfs/dbraw/zinc/40/59/78/1127405978.db2.gz TVFYSYGHOXWCGO-KBPBESRZSA-N 1 2 339.549 3.984 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)n1 ZINC000184977664 1127417295 /nfs/dbraw/zinc/41/72/95/1127417295.db2.gz KHCPVGWDWISERO-DZGCQCFKSA-N 1 2 343.452 3.912 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000185018461 1127417953 /nfs/dbraw/zinc/41/79/53/1127417953.db2.gz CRYVOALKRADZFB-RHSMWYFYSA-N 1 2 343.496 3.638 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000185027041 1127418814 /nfs/dbraw/zinc/41/88/14/1127418814.db2.gz UHOAIXVWFSKABP-DYVFJYSZSA-N 1 2 349.475 3.755 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1nccs1 ZINC000185109194 1127420405 /nfs/dbraw/zinc/42/04/05/1127420405.db2.gz PIFGKFPTCXIUFC-NSHDSACASA-N 1 2 327.812 3.615 20 0 EHADLO C[C@H]1CCN(C(=O)NCCC2=CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000185268849 1127423701 /nfs/dbraw/zinc/42/37/01/1127423701.db2.gz UVHHVPBFQACNTJ-WMZOPIPTSA-N 1 2 330.476 3.756 20 0 EHADLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1C ZINC000185362003 1127425743 /nfs/dbraw/zinc/42/57/43/1127425743.db2.gz HRBJPXXXHGKMQD-SMDDNHRTSA-N 1 2 334.441 3.941 20 0 EHADLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1C ZINC000185362024 1127425763 /nfs/dbraw/zinc/42/57/63/1127425763.db2.gz HRBJPXXXHGKMQD-RISCZKNCSA-N 1 2 334.441 3.941 20 0 EHADLO Cc1ccccc1COc1cccc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000193239169 1127434976 /nfs/dbraw/zinc/43/49/76/1127434976.db2.gz OXIOTUDWLFACKG-UHFFFAOYSA-N 1 2 349.434 3.879 20 0 EHADLO CCCN(Cc1ccc(OC)cc1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654459907 1127450990 /nfs/dbraw/zinc/45/09/90/1127450990.db2.gz FWOGCPVUPLZNFP-UHFFFAOYSA-N 1 2 337.423 3.704 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2cnccn2)n(CC)c1=S)C(C)C ZINC000764896293 1127549066 /nfs/dbraw/zinc/54/90/66/1127549066.db2.gz CNIUMSNRDNFMRS-UHFFFAOYSA-N 1 2 348.520 3.749 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2cnccn2)n(CC)c1=S)C(C)C ZINC000764896293 1127549069 /nfs/dbraw/zinc/54/90/69/1127549069.db2.gz CNIUMSNRDNFMRS-UHFFFAOYSA-N 1 2 348.520 3.749 20 0 EHADLO C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383887858 1127561074 /nfs/dbraw/zinc/56/10/74/1127561074.db2.gz LEGAONSNOTTXNZ-ZBFHGGJFSA-N 1 2 344.528 3.580 20 0 EHADLO C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383887858 1127561075 /nfs/dbraw/zinc/56/10/75/1127561075.db2.gz LEGAONSNOTTXNZ-ZBFHGGJFSA-N 1 2 344.528 3.580 20 0 EHADLO Fc1c[nH+]ccc1N[C@H]1COc2c1ccc(Br)c2Cl ZINC001168535701 1127562474 /nfs/dbraw/zinc/56/24/74/1127562474.db2.gz XRZCHKMQLXEUJE-NSHDSACASA-N 1 2 343.583 3.604 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2C[C@H](C)CCC[C@H]2C)nc1-c1ccccn1 ZINC000765032623 1127565348 /nfs/dbraw/zinc/56/53/48/1127565348.db2.gz FGIWOFMKCIPAMC-HUUCEWRRSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@H+]2C[C@H](C)CCC[C@H]2C)nc1-c1ccccn1 ZINC000765032623 1127565350 /nfs/dbraw/zinc/56/53/50/1127565350.db2.gz FGIWOFMKCIPAMC-HUUCEWRRSA-N 1 2 345.516 3.964 20 0 EHADLO COc1ccc(C([NH2+]Cc2cnc(C)cn2)c2ccc(OC)cc2)cc1 ZINC000765249452 1127588390 /nfs/dbraw/zinc/58/83/90/1127588390.db2.gz DQPYANDKKSSTDN-UHFFFAOYSA-N 1 2 349.434 3.681 20 0 EHADLO CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1F ZINC000654607060 1127593658 /nfs/dbraw/zinc/59/36/58/1127593658.db2.gz QQHGUDQMJSEGSA-QGZVFWFLSA-N 1 2 344.434 3.863 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 ZINC000765316802 1127596302 /nfs/dbraw/zinc/59/63/02/1127596302.db2.gz WFHJNEYQDIEADI-NFAHFFEMSA-N 1 2 344.455 3.806 20 0 EHADLO C/C=C(/C=C/C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)CC ZINC000765430601 1127610989 /nfs/dbraw/zinc/61/09/89/1127610989.db2.gz ZGWOJDXQPLSRJO-HONXKYBHSA-N 1 2 328.456 3.931 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Oc3ccccc3OC(F)(F)F)ccn12 ZINC001127876192 1127621453 /nfs/dbraw/zinc/62/14/53/1127621453.db2.gz YTWOCSAXOPCBMI-UHFFFAOYSA-N 1 2 336.269 3.761 20 0 EHADLO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F ZINC000017289687 1127667420 /nfs/dbraw/zinc/66/74/20/1127667420.db2.gz BKVGPOWVEYWWIS-XIKOKIGWSA-N 1 2 330.378 3.635 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000023666604 1127699020 /nfs/dbraw/zinc/69/90/20/1127699020.db2.gz KERRUQJTFCNJRX-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000023666604 1127699023 /nfs/dbraw/zinc/69/90/23/1127699023.db2.gz KERRUQJTFCNJRX-JTQLQIEISA-N 1 2 340.320 3.875 20 0 EHADLO O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000765702493 1127728483 /nfs/dbraw/zinc/72/84/83/1127728483.db2.gz MVXZHJWHFBOKNK-YWEYNIOJSA-N 1 2 342.402 3.683 20 0 EHADLO Cc1cnc(Cl)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000921569030 1127753743 /nfs/dbraw/zinc/75/37/43/1127753743.db2.gz XEDICDQBOMJASW-UHFFFAOYSA-N 1 2 331.847 3.617 20 0 EHADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCCC2=O)cc1 ZINC000921601037 1127759173 /nfs/dbraw/zinc/75/91/73/1127759173.db2.gz RAVSESXOWQLHPY-AWEZNQCLSA-N 1 2 341.455 3.950 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812724 1127774594 /nfs/dbraw/zinc/77/45/94/1127774594.db2.gz XUIKKEYFNCLMOK-NSHDSACASA-N 1 2 340.851 3.677 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812724 1127774597 /nfs/dbraw/zinc/77/45/97/1127774597.db2.gz XUIKKEYFNCLMOK-NSHDSACASA-N 1 2 340.851 3.677 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cs1 ZINC000671665626 1127785743 /nfs/dbraw/zinc/78/57/43/1127785743.db2.gz GGTAHDAXPVSTSZ-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cs1 ZINC000671665626 1127785745 /nfs/dbraw/zinc/78/57/45/1127785745.db2.gz GGTAHDAXPVSTSZ-NSHDSACASA-N 1 2 335.498 3.997 20 0 EHADLO Cc1ccsc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028677599 1127790159 /nfs/dbraw/zinc/79/01/59/1127790159.db2.gz AGMMWVCVJWHKIG-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO Cc1ccsc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028677599 1127790161 /nfs/dbraw/zinc/79/01/61/1127790161.db2.gz AGMMWVCVJWHKIG-LLVKDONJSA-N 1 2 335.498 3.997 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028683076 1127790532 /nfs/dbraw/zinc/79/05/32/1127790532.db2.gz YQPPECACDGCRNV-CYBMUJFWSA-N 1 2 345.468 3.636 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028683076 1127790533 /nfs/dbraw/zinc/79/05/33/1127790533.db2.gz YQPPECACDGCRNV-CYBMUJFWSA-N 1 2 345.468 3.636 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000172197217 1127805317 /nfs/dbraw/zinc/80/53/17/1127805317.db2.gz IDBAXFOKLXFPNL-CQSZACIVSA-N 1 2 344.846 3.646 20 0 EHADLO CO[C@@H](CN1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000338565495 1127817660 /nfs/dbraw/zinc/81/76/60/1127817660.db2.gz XSSMHOPOMLWRJK-APWZRJJASA-N 1 2 330.497 3.814 20 0 EHADLO Cc1cccc(/C=C/C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030584789 1127821792 /nfs/dbraw/zinc/82/17/92/1127821792.db2.gz QMKSYGQHSJKLTN-CMDGGOBGSA-N 1 2 331.419 3.569 20 0 EHADLO Cc1cc(N)nc(SCc2csc(Cc3ccccc3)n2)[nH+]1 ZINC000031652772 1127838757 /nfs/dbraw/zinc/83/87/57/1127838757.db2.gz QKKWOGRSPSKIQS-UHFFFAOYSA-N 1 2 328.466 3.707 20 0 EHADLO Clc1c(Nc2ccc[nH+]c2N2CCOCC2)cnc2ccccc21 ZINC001212354373 1127926473 /nfs/dbraw/zinc/92/64/73/1127926473.db2.gz RKZVVZFVTQIQCS-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCCn1c(C[NH2+]Cc2cn3cc(C)ccc3n2)nc2ccccc21 ZINC000265659377 1127930023 /nfs/dbraw/zinc/93/00/23/1127930023.db2.gz QWUVASRRDQQBRO-UHFFFAOYSA-N 1 2 333.439 3.692 20 0 EHADLO CCc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000044741698 1127941121 /nfs/dbraw/zinc/94/11/21/1127941121.db2.gz ZINOHUKPRLDGRX-ZIAGYGMSSA-N 1 2 348.878 3.725 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000045709954 1127957376 /nfs/dbraw/zinc/95/73/76/1127957376.db2.gz JIIZYSVAMUMKBI-UHFFFAOYSA-N 1 2 333.435 3.787 20 0 EHADLO Cc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000045860402 1127962314 /nfs/dbraw/zinc/96/23/14/1127962314.db2.gz RMIIWCTYNACPIY-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@@H]1CCCc2ccccc21 ZINC000045841838 1127961154 /nfs/dbraw/zinc/96/11/54/1127961154.db2.gz YKRYNOLNGXDGNQ-GOSISDBHSA-N 1 2 340.492 3.642 20 0 EHADLO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@@H]1CCCc2ccccc21 ZINC000045841838 1127961156 /nfs/dbraw/zinc/96/11/56/1127961156.db2.gz YKRYNOLNGXDGNQ-GOSISDBHSA-N 1 2 340.492 3.642 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC(OC4CCCC4)CC3)ccc2[nH+]1 ZINC000265676706 1127968847 /nfs/dbraw/zinc/96/88/47/1127968847.db2.gz ATTSQSPDWACOPM-UHFFFAOYSA-N 1 2 342.443 3.598 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000046341804 1127976489 /nfs/dbraw/zinc/97/64/89/1127976489.db2.gz ASPIPYYZODWEEN-GJZGRUSLSA-N 1 2 342.414 3.687 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CCCC2)C[C@H](C)O1 ZINC000047014017 1127997699 /nfs/dbraw/zinc/99/76/99/1127997699.db2.gz PFMVCKVJVZOVRN-HOTGVXAUSA-N 1 2 345.487 3.608 20 0 EHADLO CC(C)CCOCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000056281867 1128014893 /nfs/dbraw/zinc/01/48/93/1128014893.db2.gz ZCOWSMMLBXEFET-UHFFFAOYSA-N 1 2 347.286 3.926 20 0 EHADLO CC(C)CCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000056281867 1128014897 /nfs/dbraw/zinc/01/48/97/1128014897.db2.gz ZCOWSMMLBXEFET-UHFFFAOYSA-N 1 2 347.286 3.926 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1nncn1C ZINC000671701873 1128016152 /nfs/dbraw/zinc/01/61/52/1128016152.db2.gz SHTCMQCIXBPAAU-CYBMUJFWSA-N 1 2 344.793 3.557 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc2c3c(cccc31)CC2 ZINC000056577199 1128023440 /nfs/dbraw/zinc/02/34/40/1128023440.db2.gz ZXTXPMQUJPYJIW-UHFFFAOYSA-N 1 2 334.423 3.737 20 0 EHADLO Oc1c(Nc2ccc[nH+]c2N2CCOCC2)ccc(Cl)c1Cl ZINC001212364916 1128030967 /nfs/dbraw/zinc/03/09/67/1128030967.db2.gz ZQYBAMIWYVWYHW-UHFFFAOYSA-N 1 2 340.210 3.674 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056895851 1128031324 /nfs/dbraw/zinc/03/13/24/1128031324.db2.gz SYUZGSFJXUHTIG-INIZCTEOSA-N 1 2 334.423 3.741 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccs3)no2)ccn1 ZINC000347523040 1128035255 /nfs/dbraw/zinc/03/52/55/1128035255.db2.gz AZSRBWMYUUFXJA-QWRGUYRKSA-N 1 2 330.413 3.614 20 0 EHADLO CC(C)Oc1cccc([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000057375867 1128045505 /nfs/dbraw/zinc/04/55/05/1128045505.db2.gz XQJJESXTQGYOSA-INIZCTEOSA-N 1 2 344.459 3.511 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000060615062 1128110305 /nfs/dbraw/zinc/11/03/05/1128110305.db2.gz SFVLPZYVTJVDBE-MRXNPFEDSA-N 1 2 349.434 3.773 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282229365 1128111996 /nfs/dbraw/zinc/11/19/96/1128111996.db2.gz ZGKYSQRTASOJHU-AWEZNQCLSA-N 1 2 338.455 3.535 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282242701 1128126835 /nfs/dbraw/zinc/12/68/35/1128126835.db2.gz IMYRLIUYYDPIEG-QGZVFWFLSA-N 1 2 337.467 3.856 20 0 EHADLO CCc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cn1 ZINC000347617414 1128143522 /nfs/dbraw/zinc/14/35/22/1128143522.db2.gz SYWGPBLUXURJRK-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO CCc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cn1 ZINC000347617414 1128143526 /nfs/dbraw/zinc/14/35/26/1128143526.db2.gz SYWGPBLUXURJRK-UHFFFAOYSA-N 1 2 325.456 3.640 20 0 EHADLO Cc1ccc(/C=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000067680615 1128246714 /nfs/dbraw/zinc/24/67/14/1128246714.db2.gz NEACOGNTSFPOIC-ZHACJKMWSA-N 1 2 347.418 3.922 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nnc2ccccc2c1=S ZINC000734477932 1131242320 /nfs/dbraw/zinc/24/23/20/1131242320.db2.gz VNFOIUGJVYXVBF-GOEBONIOSA-N 1 2 336.464 3.996 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nnc2ccccc2c1=S ZINC000734477932 1131242322 /nfs/dbraw/zinc/24/23/22/1131242322.db2.gz VNFOIUGJVYXVBF-GOEBONIOSA-N 1 2 336.464 3.996 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000734477090 1131242404 /nfs/dbraw/zinc/24/24/04/1131242404.db2.gz KNBMERGBIPYRQS-AEFFLSMTSA-N 1 2 348.446 3.668 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000734477090 1131242406 /nfs/dbraw/zinc/24/24/06/1131242406.db2.gz KNBMERGBIPYRQS-AEFFLSMTSA-N 1 2 348.446 3.668 20 0 EHADLO CCSc1nn(C[N@H+](C)C2CCC(OC)CC2)c(=S)s1 ZINC000734474647 1131242549 /nfs/dbraw/zinc/24/25/49/1131242549.db2.gz BNKRPHLLIZADQO-UHFFFAOYSA-N 1 2 333.548 3.633 20 0 EHADLO CCSc1nn(C[N@@H+](C)C2CCC(OC)CC2)c(=S)s1 ZINC000734474647 1131242555 /nfs/dbraw/zinc/24/25/55/1131242555.db2.gz BNKRPHLLIZADQO-UHFFFAOYSA-N 1 2 333.548 3.633 20 0 EHADLO Cc1ccc(-c2nc(=S)n(C[NH+](CC3CC3)CC3CC3)[nH]2)cc1 ZINC000734477847 1131242576 /nfs/dbraw/zinc/24/25/76/1131242576.db2.gz OOWOETNSZZYFOB-UHFFFAOYSA-N 1 2 328.485 3.996 20 0 EHADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000068422157 1128266038 /nfs/dbraw/zinc/26/60/38/1128266038.db2.gz PMWIWNCUPDAQFQ-UHFFFAOYSA-N 1 2 329.419 3.507 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000069931493 1128293935 /nfs/dbraw/zinc/29/39/35/1128293935.db2.gz MYQLHBAGIPRGAI-SFHVURJKSA-N 1 2 328.460 3.668 20 0 EHADLO O=C(CCCc1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000070890284 1128296817 /nfs/dbraw/zinc/29/68/17/1128296817.db2.gz NNIHAWGKERIMEI-UHFFFAOYSA-N 1 2 349.434 3.924 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3cnccc32)c1C ZINC000073056916 1128315009 /nfs/dbraw/zinc/31/50/09/1128315009.db2.gz SPJZGLDHTFHZFY-UHFFFAOYSA-N 1 2 335.407 3.527 20 0 EHADLO C[C@H](C[N@H+](C)[C@@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441580 1128410627 /nfs/dbraw/zinc/41/06/27/1128410627.db2.gz LFKFBHMOXIQVKN-NEPJUHHUSA-N 1 2 328.403 3.871 20 0 EHADLO C[C@H](C[N@@H+](C)[C@@H](C)c1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000785441580 1128410629 /nfs/dbraw/zinc/41/06/29/1128410629.db2.gz LFKFBHMOXIQVKN-NEPJUHHUSA-N 1 2 328.403 3.871 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3nc[nH]c3C(C)(C)C)cc2)[nH+]c1C ZINC000921655567 1128436683 /nfs/dbraw/zinc/43/66/83/1128436683.db2.gz NUBHCFBQOGJPAK-UHFFFAOYSA-N 1 2 337.427 3.966 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3=C(C)OCCS3)cc2)[nH+]c1C ZINC000921658078 1128438581 /nfs/dbraw/zinc/43/85/81/1128438581.db2.gz KWYFHVGTIOXTMA-UHFFFAOYSA-N 1 2 329.425 3.627 20 0 EHADLO CNc1ccc(Nc2cc(OC)c(F)cc2Br)c[nH+]1 ZINC001203462227 1128446589 /nfs/dbraw/zinc/44/65/89/1128446589.db2.gz KXYVIAQNVIZRBJ-UHFFFAOYSA-N 1 2 326.169 3.777 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)cc2)[nH+]c1C ZINC000921668621 1128448362 /nfs/dbraw/zinc/44/83/62/1128448362.db2.gz HUPOIBMASFDTSV-BBRMVZONSA-N 1 2 348.244 3.806 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1sccc1Br)c1nncn1C ZINC000903062500 1128454287 /nfs/dbraw/zinc/45/42/87/1128454287.db2.gz UVYBEMYUOXXNAQ-ONGXEEELSA-N 1 2 343.294 3.687 20 0 EHADLO C[C@@H](CC(=O)Nc1cc(F)cc(F)c1Br)n1cc[nH+]c1 ZINC001128037757 1128458609 /nfs/dbraw/zinc/45/86/09/1128458609.db2.gz WYWYTMUDCFSYAN-QMMMGPOBSA-N 1 2 344.159 3.514 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(C3CCCC3)no2)c(C)c1OC ZINC000347631634 1128460511 /nfs/dbraw/zinc/46/05/11/1128460511.db2.gz QEHFAPRBMICWBT-ZDUSSCGKSA-N 1 2 345.443 3.904 20 0 EHADLO CCC[C@@H]([NH2+]Cc1ncc(Br)cn1)c1ccsc1 ZINC000903320603 1128468105 /nfs/dbraw/zinc/46/81/05/1128468105.db2.gz LUYKGGRJGYSTKV-GFCCVEGCSA-N 1 2 326.263 3.932 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccnc(OC)c3)o2)cc1 ZINC000347636003 1128498174 /nfs/dbraw/zinc/49/81/74/1128498174.db2.gz HCEDDOBCAGHHFN-ZDUSSCGKSA-N 1 2 339.395 3.605 20 0 EHADLO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282289890 1128510299 /nfs/dbraw/zinc/51/02/99/1128510299.db2.gz LLMOJODBQILMQA-QGZVFWFLSA-N 1 2 348.450 3.721 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000055696752 1128527317 /nfs/dbraw/zinc/52/73/17/1128527317.db2.gz WADKVISYSAZBCY-YJBOKZPZSA-N 1 2 349.434 3.838 20 0 EHADLO CCC(CC)(CNC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000465638708 1128542695 /nfs/dbraw/zinc/54/26/95/1128542695.db2.gz RIJACHIKVYYVAJ-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000057375294 1128634468 /nfs/dbraw/zinc/63/44/68/1128634468.db2.gz GJAUWVAXZBTILV-KRWDZBQOSA-N 1 2 346.862 3.767 20 0 EHADLO C=C/C(C)=C/CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000672072625 1128667384 /nfs/dbraw/zinc/66/73/84/1128667384.db2.gz JRUOHHDZOZSCQF-PJQLUOCWSA-N 1 2 332.875 3.815 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)c1 ZINC000108851136 1128668440 /nfs/dbraw/zinc/66/84/40/1128668440.db2.gz LPMIAYMPIWVZOW-SFHVURJKSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2noc3c2CCCC3)c1 ZINC000108851136 1128668441 /nfs/dbraw/zinc/66/84/41/1128668441.db2.gz LPMIAYMPIWVZOW-SFHVURJKSA-N 1 2 342.439 3.908 20 0 EHADLO COc1ccc(CN(Cc2ccccc2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000354064801 1128682857 /nfs/dbraw/zinc/68/28/57/1128682857.db2.gz JYLUWZYLCAXSQG-UHFFFAOYSA-N 1 2 349.434 3.580 20 0 EHADLO COc1ccc(CN(Cc2ccccc2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000354064801 1128682859 /nfs/dbraw/zinc/68/28/59/1128682859.db2.gz JYLUWZYLCAXSQG-UHFFFAOYSA-N 1 2 349.434 3.580 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1)Cc1ccccc1F ZINC000354066205 1128683721 /nfs/dbraw/zinc/68/37/21/1128683721.db2.gz SXKNMWYGLIHTBO-UHFFFAOYSA-N 1 2 337.398 3.710 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1)Cc1ccccc1F ZINC000354066205 1128683723 /nfs/dbraw/zinc/68/37/23/1128683723.db2.gz SXKNMWYGLIHTBO-UHFFFAOYSA-N 1 2 337.398 3.710 20 0 EHADLO CCC(CC)(CC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000303834513 1128700774 /nfs/dbraw/zinc/70/07/74/1128700774.db2.gz BYHQXDWVMYYKMO-UHFFFAOYSA-N 1 2 333.501 3.961 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(C)nc2C2CCCC2)cs1 ZINC000921824411 1128790814 /nfs/dbraw/zinc/79/08/14/1128790814.db2.gz NEQBLTCLQISNBA-LBPRGKRZSA-N 1 2 334.489 3.531 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccccc1OC(F)F ZINC001168677931 1128796440 /nfs/dbraw/zinc/79/64/40/1128796440.db2.gz QKZJWWGTELXYCX-LLVKDONJSA-N 1 2 344.365 3.664 20 0 EHADLO Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672144887 1128797241 /nfs/dbraw/zinc/79/72/41/1128797241.db2.gz LNDIPNPKMYVWDA-KRWDZBQOSA-N 1 2 346.434 3.680 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-n3cccn3)c(F)c2)nc(C2CC2)[nH+]1 ZINC000338750507 1128843740 /nfs/dbraw/zinc/84/37/40/1128843740.db2.gz VQEAXPHMKVMTGY-CYBMUJFWSA-N 1 2 337.402 3.582 20 0 EHADLO Cc1cccn2cc(Cc3noc(Cc4c(C)cccc4C)n3)[nH+]c12 ZINC000547092632 1128847062 /nfs/dbraw/zinc/84/70/62/1128847062.db2.gz ZBLXXXARLSUQCQ-UHFFFAOYSA-N 1 2 332.407 3.824 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338754453 1128868364 /nfs/dbraw/zinc/86/83/64/1128868364.db2.gz RFTAQGWOAQQQNY-UHFFFAOYSA-N 1 2 325.456 3.792 20 0 EHADLO C[C@H]1Cc2cc(CNc3ccccc3OCCn3cc[nH+]c3)ccc2O1 ZINC000921879930 1128870696 /nfs/dbraw/zinc/87/06/96/1128870696.db2.gz GARQHIRTSNHVMZ-INIZCTEOSA-N 1 2 349.434 3.898 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338757305 1128879642 /nfs/dbraw/zinc/87/96/42/1128879642.db2.gz JSFGRWPYHPYFPI-LSDHHAIUSA-N 1 2 329.831 3.573 20 0 EHADLO CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCC[N@H+](CCF)C3)CC2)cc1 ZINC001648880492 1120060248 /nfs/dbraw/zinc/06/02/48/1120060248.db2.gz KQDVAZONTHGCMT-SFHVURJKSA-N 1 2 346.490 3.566 20 0 EHADLO CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCC[N@@H+](CCF)C3)CC2)cc1 ZINC001648880492 1120060254 /nfs/dbraw/zinc/06/02/54/1120060254.db2.gz KQDVAZONTHGCMT-SFHVURJKSA-N 1 2 346.490 3.566 20 0 EHADLO CC(C)c1ccc(C[C@H](C)NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC001670621577 1120090961 /nfs/dbraw/zinc/09/09/61/1120090961.db2.gz WZAXXWZEHZILHR-INIZCTEOSA-N 1 2 340.471 3.547 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000542941587 1128890489 /nfs/dbraw/zinc/89/04/89/1128890489.db2.gz AIUWXACDXCVIGL-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000542941587 1128890491 /nfs/dbraw/zinc/89/04/91/1128890491.db2.gz AIUWXACDXCVIGL-CQSZACIVSA-N 1 2 342.464 3.630 20 0 EHADLO Cc1cn2c(C[NH2+]Cc3ccn(C4CCCC4)n3)c(C)nc2s1 ZINC000128982715 1120138520 /nfs/dbraw/zinc/13/85/20/1120138520.db2.gz FPKXWRDDONYKLI-UHFFFAOYSA-N 1 2 329.473 3.614 20 0 EHADLO C=CCOc1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000148330820 1120170153 /nfs/dbraw/zinc/17/01/53/1120170153.db2.gz CIXMWBPUEYRNMJ-IBGZPJMESA-N 1 2 339.435 3.531 20 0 EHADLO C=CCOc1ccccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000148330820 1120170154 /nfs/dbraw/zinc/17/01/54/1120170154.db2.gz CIXMWBPUEYRNMJ-IBGZPJMESA-N 1 2 339.435 3.531 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000376131409 1120205459 /nfs/dbraw/zinc/20/54/59/1120205459.db2.gz OYLSSDOYJNVFDZ-SJORKVTESA-N 1 2 349.837 3.545 20 0 EHADLO CCc1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000376131409 1120205463 /nfs/dbraw/zinc/20/54/63/1120205463.db2.gz OYLSSDOYJNVFDZ-SJORKVTESA-N 1 2 349.837 3.545 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ncoc1-c1ccccc1 ZINC000112006058 1128900189 /nfs/dbraw/zinc/90/01/89/1128900189.db2.gz RAQUYUKFOMXFHW-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO Cc1oc(C)c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000156572150 1128900997 /nfs/dbraw/zinc/90/09/97/1128900997.db2.gz XNZHSGNRSQIZIH-ZDUSSCGKSA-N 1 2 332.469 3.785 20 0 EHADLO CNc1cc(CNC(=O)Nc2cc(SC)ccc2Cl)cc[nH+]1 ZINC001671655580 1120252633 /nfs/dbraw/zinc/25/26/33/1120252633.db2.gz UNYXUOHPHCWROU-UHFFFAOYSA-N 1 2 336.848 3.820 20 0 EHADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000476235524 1128903383 /nfs/dbraw/zinc/90/33/83/1128903383.db2.gz SXQRDHFIOVLIGS-UHFFFAOYSA-N 1 2 333.435 3.980 20 0 EHADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000476235524 1128903386 /nfs/dbraw/zinc/90/33/86/1128903386.db2.gz SXQRDHFIOVLIGS-UHFFFAOYSA-N 1 2 333.435 3.980 20 0 EHADLO Cc1ccccc1Sc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000355257278 1128909625 /nfs/dbraw/zinc/90/96/25/1128909625.db2.gz QKHZOQRGFFHGJZ-UHFFFAOYSA-N 1 2 337.448 3.810 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc2sc3ccccc3c2s1 ZINC000355254193 1128909640 /nfs/dbraw/zinc/90/96/40/1128909640.db2.gz NRXBOGBPBUEKTI-UHFFFAOYSA-N 1 2 327.434 3.780 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000355253673 1128909705 /nfs/dbraw/zinc/90/97/05/1128909705.db2.gz IEJJOBYUZUZAGH-UHFFFAOYSA-N 1 2 331.828 3.732 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000355261511 1128909906 /nfs/dbraw/zinc/90/99/06/1128909906.db2.gz FCPPOMANMKUUEG-UHFFFAOYSA-N 1 2 349.312 3.629 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1CCC(F)(F)F ZINC000156692059 1128910939 /nfs/dbraw/zinc/91/09/39/1128910939.db2.gz YAYQTQYBHCEQAJ-UHFFFAOYSA-N 1 2 325.334 3.797 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(OC(F)F)c1 ZINC000185850211 1120431810 /nfs/dbraw/zinc/43/18/10/1120431810.db2.gz KXEXEMGCNLMELV-UHFFFAOYSA-N 1 2 347.365 3.896 20 0 EHADLO CC[C@@H](C[N@H+](CC)[C@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000186616095 1120468395 /nfs/dbraw/zinc/46/83/95/1120468395.db2.gz RJRDEIFKUOPOSO-LPHOPBHVSA-N 1 2 326.440 3.811 20 0 EHADLO CC[C@@H](C[N@@H+](CC)[C@H](C(=O)OC)c1cccnc1)c1ccccc1 ZINC000186616095 1120468397 /nfs/dbraw/zinc/46/83/97/1120468397.db2.gz RJRDEIFKUOPOSO-LPHOPBHVSA-N 1 2 326.440 3.811 20 0 EHADLO CC(C)C[C@@H](c1nc(COc2ccc(F)cc2)no1)n1cc[nH+]c1 ZINC000923829200 1120513422 /nfs/dbraw/zinc/51/34/22/1120513422.db2.gz JEKVSDSMZMISGW-HNNXBMFYSA-N 1 2 330.363 3.620 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@@H]1C ZINC000189348572 1120579210 /nfs/dbraw/zinc/57/92/10/1120579210.db2.gz OXHKFTXJVRKWOD-JGGQBBKZSA-N 1 2 338.879 3.641 20 0 EHADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC[C@@H]1C ZINC000189348572 1120579213 /nfs/dbraw/zinc/57/92/13/1120579213.db2.gz OXHKFTXJVRKWOD-JGGQBBKZSA-N 1 2 338.879 3.641 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189919903 1120617066 /nfs/dbraw/zinc/61/70/66/1120617066.db2.gz IQBPIVVQEAMJDY-BBRMVZONSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189919903 1120617070 /nfs/dbraw/zinc/61/70/70/1120617070.db2.gz IQBPIVVQEAMJDY-BBRMVZONSA-N 1 2 329.362 3.648 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1nccn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354157 1120634681 /nfs/dbraw/zinc/63/46/81/1120634681.db2.gz IQEZXXVUQPQXQL-NSHDSACASA-N 1 2 328.243 3.626 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1nccn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354157 1120634682 /nfs/dbraw/zinc/63/46/82/1120634682.db2.gz IQEZXXVUQPQXQL-NSHDSACASA-N 1 2 328.243 3.626 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000191628282 1120682332 /nfs/dbraw/zinc/68/23/32/1120682332.db2.gz RPHBCGLPKFXQAZ-MNOVXSKESA-N 1 2 338.249 3.603 20 0 EHADLO Cc1nc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2s1 ZINC000761651415 1120700828 /nfs/dbraw/zinc/70/08/28/1120700828.db2.gz PCURFXSEHLGXOV-UHFFFAOYSA-N 1 2 348.431 3.720 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](CO)c3sccc3C)co2)cc1 ZINC000494649153 1120704802 /nfs/dbraw/zinc/70/48/02/1120704802.db2.gz QBXQMHMKBJCWQT-MRXNPFEDSA-N 1 2 344.436 3.543 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)c1cn[nH]c1 ZINC000494676391 1120717438 /nfs/dbraw/zinc/71/74/38/1120717438.db2.gz ZEUKGFISJLNFRH-SNVBAGLBSA-N 1 2 347.216 3.678 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(CC)c(CC)o1 ZINC000192247926 1120727674 /nfs/dbraw/zinc/72/76/74/1120727674.db2.gz ZXHNBEIJJMLBDP-UHFFFAOYSA-N 1 2 331.460 3.716 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)cc1OC ZINC000192258847 1120727888 /nfs/dbraw/zinc/72/78/88/1120727888.db2.gz UVTISANSIXLURK-UHFFFAOYSA-N 1 2 349.862 3.660 20 0 EHADLO COC(=O)Nc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000195174841 1120769561 /nfs/dbraw/zinc/76/95/61/1120769561.db2.gz CIPUSAOVOOKNPF-UHFFFAOYSA-N 1 2 336.351 3.507 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665793 1128940137 /nfs/dbraw/zinc/94/01/37/1128940137.db2.gz TZZKKQQJFMUOPP-DOMZBBRYSA-N 1 2 346.475 3.803 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665793 1128940141 /nfs/dbraw/zinc/94/01/41/1128940141.db2.gz TZZKKQQJFMUOPP-DOMZBBRYSA-N 1 2 346.475 3.803 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nn1C(C)(C)C ZINC000194388405 1120840361 /nfs/dbraw/zinc/84/03/61/1120840361.db2.gz CYZSFIBMQUNVBW-UHFFFAOYSA-N 1 2 341.390 3.524 20 0 EHADLO CCCOc1cccc2c(NCc3nnc4ccccn43)cc[nH+]c12 ZINC000194697445 1120855637 /nfs/dbraw/zinc/85/56/37/1120855637.db2.gz FURRFVFCPUEUKW-UHFFFAOYSA-N 1 2 333.395 3.678 20 0 EHADLO CC1(C)CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000112701972 1128945010 /nfs/dbraw/zinc/94/50/10/1128945010.db2.gz KROGQVIFEGYHCJ-UHFFFAOYSA-N 1 2 343.452 3.867 20 0 EHADLO Cc1cccc(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000547019833 1120885511 /nfs/dbraw/zinc/88/55/11/1120885511.db2.gz HZIKYKRYBTXHLF-UHFFFAOYSA-N 1 2 330.391 3.881 20 0 EHADLO CCc1noc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000157024136 1128949451 /nfs/dbraw/zinc/94/94/51/1128949451.db2.gz BBCNZVUFAGDKQO-CYBMUJFWSA-N 1 2 335.835 3.576 20 0 EHADLO CCc1noc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000157024136 1128949453 /nfs/dbraw/zinc/94/94/53/1128949453.db2.gz BBCNZVUFAGDKQO-CYBMUJFWSA-N 1 2 335.835 3.576 20 0 EHADLO COc1ccc([C@@H](NCC[NH+]2CCC2)c2ccccc2Cl)cc1 ZINC000495011467 1120930828 /nfs/dbraw/zinc/93/08/28/1120930828.db2.gz WSEBBSQDNOCGEV-LJQANCHMSA-N 1 2 330.859 3.733 20 0 EHADLO CCc1nc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cs1 ZINC000761847833 1120986869 /nfs/dbraw/zinc/98/68/69/1120986869.db2.gz PRFSBFKWGRPAFL-UHFFFAOYSA-N 1 2 337.408 3.532 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1cccnc1 ZINC000230306676 1121001257 /nfs/dbraw/zinc/00/12/57/1121001257.db2.gz JKUISVAKRHXHHE-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccccn1 ZINC000230306695 1121001287 /nfs/dbraw/zinc/00/12/87/1121001287.db2.gz LENMITXAHIXOEQ-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(N2CCOC2=O)c1 ZINC000495343378 1121088475 /nfs/dbraw/zinc/08/84/75/1121088475.db2.gz UWLZPGFBEJRVJG-SNVBAGLBSA-N 1 2 337.832 3.604 20 0 EHADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1Cc1ccccc1 ZINC000762146136 1121127286 /nfs/dbraw/zinc/12/72/86/1121127286.db2.gz UUWLOCVGIKPSJA-OAHLLOKOSA-N 1 2 342.512 3.993 20 0 EHADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(=S)n1Cc1ccccc1 ZINC000762146136 1121127287 /nfs/dbraw/zinc/12/72/87/1121127287.db2.gz UUWLOCVGIKPSJA-OAHLLOKOSA-N 1 2 342.512 3.993 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1ccccn1 ZINC000762141550 1121128491 /nfs/dbraw/zinc/12/84/91/1121128491.db2.gz ZCEBHEFAIOIWNG-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CC3(CCC3)C[C@@H]2C)nc1-c1ccccn1 ZINC000762141550 1121128493 /nfs/dbraw/zinc/12/84/93/1121128493.db2.gz ZCEBHEFAIOIWNG-AWEZNQCLSA-N 1 2 343.500 3.718 20 0 EHADLO c1cn(-c2ccc(-c3nc(-c4ccc5nccnc5c4)no3)cc2)c[nH+]1 ZINC000762150105 1121134342 /nfs/dbraw/zinc/13/43/42/1121134342.db2.gz LBXKKZZJROCKKC-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000303454447 1121149336 /nfs/dbraw/zinc/14/93/36/1121149336.db2.gz FSUWHWVXKCVCCQ-MRXNPFEDSA-N 1 2 338.854 3.750 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000303454447 1121149340 /nfs/dbraw/zinc/14/93/40/1121149340.db2.gz FSUWHWVXKCVCCQ-MRXNPFEDSA-N 1 2 338.854 3.750 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476210 1121151399 /nfs/dbraw/zinc/15/13/99/1121151399.db2.gz JNGLRXLMKMIXCF-OAHLLOKOSA-N 1 2 340.870 3.996 20 0 EHADLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476210 1121151402 /nfs/dbraw/zinc/15/14/02/1121151402.db2.gz JNGLRXLMKMIXCF-OAHLLOKOSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476126 1121151694 /nfs/dbraw/zinc/15/16/94/1121151694.db2.gz JMSQEKGAUJYFPC-OAHLLOKOSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303476126 1121151697 /nfs/dbraw/zinc/15/16/97/1121151697.db2.gz JMSQEKGAUJYFPC-OAHLLOKOSA-N 1 2 340.870 3.996 20 0 EHADLO CN(C)c1ccc(Nc2cc(F)cc(C(=O)N3CCCCC3)c2)c[nH+]1 ZINC001212202276 1121173616 /nfs/dbraw/zinc/17/36/16/1121173616.db2.gz WNAHLJAKQPGMRA-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(C(C)(C)O)cc1 ZINC000925423081 1121305412 /nfs/dbraw/zinc/30/54/12/1121305412.db2.gz ZLKSTFOREQFHFM-SJKOYZFVSA-N 1 2 335.394 3.576 20 0 EHADLO O=C(CCc1cccs1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000171728987 1121543797 /nfs/dbraw/zinc/54/37/97/1121543797.db2.gz DMOILJGVVWZWCA-UHFFFAOYSA-N 1 2 343.496 3.773 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)cs1 ZINC000113265347 1128993968 /nfs/dbraw/zinc/99/39/68/1128993968.db2.gz DLJMTOVVXWDRQW-LJQANCHMSA-N 1 2 344.480 3.874 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)cs1 ZINC000113265347 1128993972 /nfs/dbraw/zinc/99/39/72/1128993972.db2.gz DLJMTOVVXWDRQW-LJQANCHMSA-N 1 2 344.480 3.874 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001235491427 1121614183 /nfs/dbraw/zinc/61/41/83/1121614183.db2.gz GHTYFSQEZFFWLT-WDEREUQCSA-N 1 2 346.240 3.596 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001235491427 1121614187 /nfs/dbraw/zinc/61/41/87/1121614187.db2.gz GHTYFSQEZFFWLT-WDEREUQCSA-N 1 2 346.240 3.596 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000193792669 1121653339 /nfs/dbraw/zinc/65/33/39/1121653339.db2.gz OIZRDVSKWGYVBC-WBVHZDCISA-N 1 2 326.444 3.592 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c[nH+]1 ZINC000763091454 1121680528 /nfs/dbraw/zinc/68/05/28/1121680528.db2.gz JNQSLZQPDLVPNU-LBPRGKRZSA-N 1 2 343.477 3.849 20 0 EHADLO Cc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC000074640872 1121713015 /nfs/dbraw/zinc/71/30/15/1121713015.db2.gz ZULKVDWDILEHIF-INIZCTEOSA-N 1 2 341.411 3.595 20 0 EHADLO COC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000053897161 1121725295 /nfs/dbraw/zinc/72/52/95/1121725295.db2.gz LGJFHHQAFCGNNM-UHFFFAOYSA-N 1 2 340.423 3.528 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(C(=O)N(CC)CC)cc1OC ZINC001212461760 1129005141 /nfs/dbraw/zinc/00/51/41/1129005141.db2.gz KNWCQFCEZLMWMR-UHFFFAOYSA-N 1 2 343.427 3.715 20 0 EHADLO c1cn(Cc2cccc(-c3nc(C4CCSCC4)no3)c2)c[nH+]1 ZINC000350266161 1121742077 /nfs/dbraw/zinc/74/20/77/1121742077.db2.gz BMAURNINTCHIHG-UHFFFAOYSA-N 1 2 326.425 3.592 20 0 EHADLO C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224702 1121750303 /nfs/dbraw/zinc/75/03/03/1121750303.db2.gz XMDFGGUFFQVCOP-LBPRGKRZSA-N 1 2 343.333 3.557 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cccc(C)c3Br)ccn12 ZINC001128266997 1129008619 /nfs/dbraw/zinc/00/86/19/1129008619.db2.gz KHELVGNHYQAJRI-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO c1nc(C[NH+]2CCC(OC3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC000282122754 1121812229 /nfs/dbraw/zinc/81/22/29/1121812229.db2.gz XYGRPSYGJFOZPT-UHFFFAOYSA-N 1 2 340.471 3.581 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2cc(C)[nH+]c(OC)c2)c(OC)c1 ZINC001212463861 1129013265 /nfs/dbraw/zinc/01/32/65/1129013265.db2.gz IPRMSJLJFWFVHF-UHFFFAOYSA-N 1 2 343.427 3.633 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444127136 1121868865 /nfs/dbraw/zinc/86/88/65/1121868865.db2.gz UXFNQQAWTXODPO-BZUAXINKSA-N 1 2 332.492 3.524 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1ncn(C2CC2)c1=S ZINC000763239093 1121917527 /nfs/dbraw/zinc/91/75/27/1121917527.db2.gz FKUUYLDOTCODJT-QGZVFWFLSA-N 1 2 328.485 3.962 20 0 EHADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1ncn(C2CC2)c1=S ZINC000763239093 1121917532 /nfs/dbraw/zinc/91/75/32/1121917532.db2.gz FKUUYLDOTCODJT-QGZVFWFLSA-N 1 2 328.485 3.962 20 0 EHADLO Cc1ccc(C)n1-c1sccc1C(=O)OCCCn1cc[nH+]c1 ZINC000763287264 1121943511 /nfs/dbraw/zinc/94/35/11/1121943511.db2.gz LFCUCZFCGBCJFA-UHFFFAOYSA-N 1 2 329.425 3.599 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc2c(s1)-c1ccccc1CC2 ZINC000763287220 1121943688 /nfs/dbraw/zinc/94/36/88/1121943688.db2.gz GKRUFCWGBLXCPI-UHFFFAOYSA-N 1 2 338.432 3.957 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@H](C3CC3)C2)nc(C2CC2)n1-c1ccccc1 ZINC000763330257 1121960567 /nfs/dbraw/zinc/96/05/67/1121960567.db2.gz BQGQOOPUPNQIET-INIZCTEOSA-N 1 2 340.496 3.970 20 0 EHADLO S=c1n(C[N@H+]2CC[C@H](C3CC3)C2)nc(C2CC2)n1-c1ccccc1 ZINC000763330257 1121960572 /nfs/dbraw/zinc/96/05/72/1121960572.db2.gz BQGQOOPUPNQIET-INIZCTEOSA-N 1 2 340.496 3.970 20 0 EHADLO Cc1sc(Cl)nc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000763322808 1121964095 /nfs/dbraw/zinc/96/40/95/1121964095.db2.gz CZSSBSIRPLUQNG-UHFFFAOYSA-N 1 2 333.800 3.648 20 0 EHADLO C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000326594242 1121970672 /nfs/dbraw/zinc/97/06/72/1121970672.db2.gz DMRSYOWEBAVYNT-HNNXBMFYSA-N 1 2 334.423 3.747 20 0 EHADLO Fc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000916023567 1122024454 /nfs/dbraw/zinc/02/44/54/1122024454.db2.gz KPCYGKGVNUKIKV-UHFFFAOYSA-N 1 2 344.459 3.698 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C(F)(F)c2ccccc2)n1 ZINC000916045108 1122032577 /nfs/dbraw/zinc/03/25/77/1122032577.db2.gz RGMZQDFZFYJGGY-UHFFFAOYSA-N 1 2 339.411 3.715 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000123352973 1122098025 /nfs/dbraw/zinc/09/80/25/1122098025.db2.gz VJLOAFIQDCTRRH-SFHVURJKSA-N 1 2 325.456 3.515 20 0 EHADLO CCC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000496752885 1122171347 /nfs/dbraw/zinc/17/13/47/1122171347.db2.gz MZNLHBDJJWUEFQ-UHFFFAOYSA-N 1 2 331.485 3.525 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1)c1nccs1 ZINC000497196868 1122376399 /nfs/dbraw/zinc/37/63/99/1122376399.db2.gz PCAJTAITGFKNSX-VIFPVBQESA-N 1 2 340.474 3.797 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000126133902 1122387433 /nfs/dbraw/zinc/38/74/33/1122387433.db2.gz IJTKGDAKJKAMEZ-ZDUSSCGKSA-N 1 2 327.211 3.943 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000126133902 1122387440 /nfs/dbraw/zinc/38/74/40/1122387440.db2.gz IJTKGDAKJKAMEZ-ZDUSSCGKSA-N 1 2 327.211 3.943 20 0 EHADLO CC(C)C[C@@H](C)OC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000497284896 1122435177 /nfs/dbraw/zinc/43/51/77/1122435177.db2.gz JEOWWTMPCWTACT-MRXNPFEDSA-N 1 2 329.444 3.635 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc2c1OCCCO2 ZINC000127278133 1122473733 /nfs/dbraw/zinc/47/37/33/1122473733.db2.gz KRCIZBNDTVDNIR-UHFFFAOYSA-N 1 2 349.434 3.666 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc2c1OCCCO2 ZINC000127278133 1122473736 /nfs/dbraw/zinc/47/37/36/1122473736.db2.gz KRCIZBNDTVDNIR-UHFFFAOYSA-N 1 2 349.434 3.666 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564020 1122474881 /nfs/dbraw/zinc/47/48/81/1122474881.db2.gz AQUBPUVUXCNKJF-WBVHZDCISA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564020 1122474882 /nfs/dbraw/zinc/47/48/82/1122474882.db2.gz AQUBPUVUXCNKJF-WBVHZDCISA-N 1 2 345.512 3.929 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1cc(-c2ccc(F)cc2)no1 ZINC000917392614 1122591000 /nfs/dbraw/zinc/59/10/00/1122591000.db2.gz CVHMXASTBUHJSL-UHFFFAOYSA-N 1 2 325.343 3.836 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917480604 1122613032 /nfs/dbraw/zinc/61/30/32/1122613032.db2.gz QDHMNGSZZYHRTG-CQSZACIVSA-N 1 2 333.457 3.567 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917480604 1122613040 /nfs/dbraw/zinc/61/30/40/1122613040.db2.gz QDHMNGSZZYHRTG-CQSZACIVSA-N 1 2 333.457 3.567 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000917641823 1122656099 /nfs/dbraw/zinc/65/60/99/1122656099.db2.gz DLVYVVHNSOBDKM-PLFFATQSSA-N 1 2 332.875 3.902 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000498011842 1122725887 /nfs/dbraw/zinc/72/58/87/1122725887.db2.gz JLZLXSFTMWYOFM-SJLPKXTDSA-N 1 2 325.456 3.878 20 0 EHADLO CCc1cccc(CC)c1NC(=S)NCCCCn1cc[nH+]c1 ZINC000918166295 1122770087 /nfs/dbraw/zinc/77/00/87/1122770087.db2.gz PRQOZDWSZLPHTM-UHFFFAOYSA-N 1 2 330.501 3.775 20 0 EHADLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000129416142 1122777982 /nfs/dbraw/zinc/77/79/82/1122777982.db2.gz YZISBJOABHWISV-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000498211313 1122798864 /nfs/dbraw/zinc/79/88/64/1122798864.db2.gz SVPUXURUCBEASF-SFHVURJKSA-N 1 2 339.483 3.971 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000918739769 1122902812 /nfs/dbraw/zinc/90/28/12/1122902812.db2.gz AFMDBOANWWEIJX-INIZCTEOSA-N 1 2 333.863 3.835 20 0 EHADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000918739769 1122902815 /nfs/dbraw/zinc/90/28/15/1122902815.db2.gz AFMDBOANWWEIJX-INIZCTEOSA-N 1 2 333.863 3.835 20 0 EHADLO COc1cc(C)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000672845650 1129086440 /nfs/dbraw/zinc/08/64/40/1129086440.db2.gz CMRHJJMYKXDZDH-INIZCTEOSA-N 1 2 342.443 3.686 20 0 EHADLO FC(F)(F)COCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000556286575 1122918090 /nfs/dbraw/zinc/91/80/90/1122918090.db2.gz BFZMYEAJVALQHX-UHFFFAOYSA-N 1 2 340.345 3.844 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2nccn2C)cc1OC ZINC000070977229 1122947830 /nfs/dbraw/zinc/94/78/30/1122947830.db2.gz JZJCIHZSWBNCLY-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nccn2C)cc1OC ZINC000070977229 1122947832 /nfs/dbraw/zinc/94/78/32/1122947832.db2.gz JZJCIHZSWBNCLY-UHFFFAOYSA-N 1 2 331.460 3.630 20 0 EHADLO COc1ncc(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1Cl ZINC000556544183 1123017500 /nfs/dbraw/zinc/01/75/00/1123017500.db2.gz OOASXFKVQWFIRH-UHFFFAOYSA-N 1 2 335.810 3.599 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000556599649 1123057584 /nfs/dbraw/zinc/05/75/84/1123057584.db2.gz ANJJHWOWZZHWSB-UHFFFAOYSA-N 1 2 344.890 3.750 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000556626748 1123062072 /nfs/dbraw/zinc/06/20/72/1123062072.db2.gz JLKMEHWHPSHJQA-CQSZACIVSA-N 1 2 326.843 3.702 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000556626748 1123062075 /nfs/dbraw/zinc/06/20/75/1123062075.db2.gz JLKMEHWHPSHJQA-CQSZACIVSA-N 1 2 326.843 3.702 20 0 EHADLO CC[C@H](C)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498778252 1123062403 /nfs/dbraw/zinc/06/24/03/1123062403.db2.gz UXKYAYFPWZDOIO-ZDUSSCGKSA-N 1 2 343.298 3.726 20 0 EHADLO C[C@H](CC(=O)N(Cc1ccco1)Cc1cccs1)n1cc[nH+]c1 ZINC000556688675 1123085306 /nfs/dbraw/zinc/08/53/06/1123085306.db2.gz DPLFGMOZQUINBZ-CQSZACIVSA-N 1 2 329.425 3.718 20 0 EHADLO O=C(C[N@@H+]1CCCc2ccccc2C1)Nc1cc(Cl)ccc1F ZINC000498904192 1123105192 /nfs/dbraw/zinc/10/51/92/1123105192.db2.gz GOCMVOHBKRBJIB-UHFFFAOYSA-N 1 2 332.806 3.866 20 0 EHADLO O=C(C[N@H+]1CCCc2ccccc2C1)Nc1cc(Cl)ccc1F ZINC000498904192 1123105196 /nfs/dbraw/zinc/10/51/96/1123105196.db2.gz GOCMVOHBKRBJIB-UHFFFAOYSA-N 1 2 332.806 3.866 20 0 EHADLO Fc1cccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccn2)c1 ZINC000556785330 1123124596 /nfs/dbraw/zinc/12/45/96/1123124596.db2.gz UOXDIWBDMOWSOE-LJQANCHMSA-N 1 2 334.398 3.767 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCC(C)CC1 ZINC000672891817 1129102872 /nfs/dbraw/zinc/10/28/72/1129102872.db2.gz SKFWQNVLFYDHIU-GRXDXKALSA-N 1 2 339.483 3.955 20 0 EHADLO C[C@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000466020657 1129105663 /nfs/dbraw/zinc/10/56/63/1129105663.db2.gz JCKJJMCJGPNYHA-OXJNMPFZSA-N 1 2 346.434 3.775 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000073626029 1123213408 /nfs/dbraw/zinc/21/34/08/1123213408.db2.gz UJRIZLNSZLXMIR-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000073626029 1123213412 /nfs/dbraw/zinc/21/34/12/1123213412.db2.gz UJRIZLNSZLXMIR-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO Cc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)n1 ZINC000920086933 1123287947 /nfs/dbraw/zinc/28/79/47/1123287947.db2.gz UCHMDOHKYPHQMR-ZDUSSCGKSA-N 1 2 337.254 3.866 20 0 EHADLO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)n1 ZINC000920086933 1123287949 /nfs/dbraw/zinc/28/79/49/1123287949.db2.gz UCHMDOHKYPHQMR-ZDUSSCGKSA-N 1 2 337.254 3.866 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=S)s1 ZINC000920304606 1123352644 /nfs/dbraw/zinc/35/26/44/1123352644.db2.gz YTQQRPCCQYEWMT-XQQFMLRXSA-N 1 2 327.519 3.931 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=S)s1 ZINC000920304606 1123352646 /nfs/dbraw/zinc/35/26/46/1123352646.db2.gz YTQQRPCCQYEWMT-XQQFMLRXSA-N 1 2 327.519 3.931 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccncc2Cl)cc1OC(F)F ZINC000075623981 1123407866 /nfs/dbraw/zinc/40/78/66/1123407866.db2.gz NBMGBPVPQKPRAQ-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccncc2Cl)cc1OC(F)F ZINC000075623981 1123407868 /nfs/dbraw/zinc/40/78/68/1123407868.db2.gz NBMGBPVPQKPRAQ-UHFFFAOYSA-N 1 2 342.773 3.977 20 0 EHADLO CCc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921147765 1123476970 /nfs/dbraw/zinc/47/69/70/1123476970.db2.gz SXNTYRSQCUWBRL-UHFFFAOYSA-N 1 2 333.435 3.684 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(F)cc3C2)c(C)c1 ZINC000133965622 1123477240 /nfs/dbraw/zinc/47/72/40/1123477240.db2.gz BDZYBOUCPUJQLA-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(F)cc3C2)c(C)c1 ZINC000133965622 1123477242 /nfs/dbraw/zinc/47/72/42/1123477242.db2.gz BDZYBOUCPUJQLA-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CCCCCCC1 ZINC000921202047 1123478328 /nfs/dbraw/zinc/47/83/28/1123478328.db2.gz SOVJUIWIQWVWBO-UHFFFAOYSA-N 1 2 326.444 3.784 20 0 EHADLO CC[N@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)Cc1ccccc1C ZINC000134040037 1123486315 /nfs/dbraw/zinc/48/63/15/1123486315.db2.gz QGTURSCFXZELHS-UHFFFAOYSA-N 1 2 326.440 3.847 20 0 EHADLO CC[N@@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)Cc1ccccc1C ZINC000134040037 1123486316 /nfs/dbraw/zinc/48/63/16/1123486316.db2.gz QGTURSCFXZELHS-UHFFFAOYSA-N 1 2 326.440 3.847 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000135477921 1123620003 /nfs/dbraw/zinc/62/00/03/1123620003.db2.gz YUDXGANLUFWXMU-UHFFFAOYSA-N 1 2 330.407 3.690 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](C)c1ccccc1 ZINC000609739056 1123658818 /nfs/dbraw/zinc/65/88/18/1123658818.db2.gz UTGJVRHAZUQWOU-AWEZNQCLSA-N 1 2 333.378 3.744 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@H](C)c1ccccc1 ZINC000609739056 1123658820 /nfs/dbraw/zinc/65/88/20/1123658820.db2.gz UTGJVRHAZUQWOU-AWEZNQCLSA-N 1 2 333.378 3.744 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccccc2)CC1 ZINC000282330171 1129136933 /nfs/dbraw/zinc/13/69/33/1129136933.db2.gz NXNYKOREXMJGIN-QGZVFWFLSA-N 1 2 349.478 3.657 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1-c1ccccc1 ZINC000079217607 1123678618 /nfs/dbraw/zinc/67/86/18/1123678618.db2.gz OFYHEVAYWJSDLT-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1C ZINC000610001045 1123710594 /nfs/dbraw/zinc/71/05/94/1123710594.db2.gz WJXCMGQOAVCLEY-INIZCTEOSA-N 1 2 333.472 3.877 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000079877126 1123729019 /nfs/dbraw/zinc/72/90/19/1123729019.db2.gz UQWPDYKXNHZMDT-KRWDZBQOSA-N 1 2 349.521 3.921 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000079877126 1123729020 /nfs/dbraw/zinc/72/90/20/1123729020.db2.gz UQWPDYKXNHZMDT-KRWDZBQOSA-N 1 2 349.521 3.921 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000615453581 1123803133 /nfs/dbraw/zinc/80/31/33/1123803133.db2.gz CNCGMNRYMPYCEB-KRWDZBQOSA-N 1 2 340.442 3.962 20 0 EHADLO C/C(=C/C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000068196937 1123868958 /nfs/dbraw/zinc/86/89/58/1123868958.db2.gz CHBKUMOOELFOFF-VKAVYKQESA-N 1 2 336.435 3.561 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000616103469 1123943962 /nfs/dbraw/zinc/94/39/62/1123943962.db2.gz WADKESMIXRTASB-HZPDHXFCSA-N 1 2 331.847 3.866 20 0 EHADLO Cc1cccn2c(CN3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000245810910 1123955449 /nfs/dbraw/zinc/95/54/49/1123955449.db2.gz ZJFPRJKGOJCUCP-DNVCBOLYSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000245810910 1123955451 /nfs/dbraw/zinc/95/54/51/1123955451.db2.gz ZJFPRJKGOJCUCP-DNVCBOLYSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000245810910 1123955453 /nfs/dbraw/zinc/95/54/53/1123955453.db2.gz ZJFPRJKGOJCUCP-DNVCBOLYSA-N 1 2 339.414 3.744 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245852792 1123961232 /nfs/dbraw/zinc/96/12/32/1123961232.db2.gz BQQXYNOSXFSIDW-HDMKZQKVSA-N 1 2 345.874 3.825 20 0 EHADLO Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC000616331467 1123984721 /nfs/dbraw/zinc/98/47/21/1123984721.db2.gz DUGFWXGMVXRDNL-UHFFFAOYSA-N 1 2 338.238 3.937 20 0 EHADLO Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC000616331467 1123984723 /nfs/dbraw/zinc/98/47/23/1123984723.db2.gz DUGFWXGMVXRDNL-UHFFFAOYSA-N 1 2 338.238 3.937 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000246090920 1124018237 /nfs/dbraw/zinc/01/82/37/1124018237.db2.gz MZNVMQGVFQTTCR-QWHCGFSZSA-N 1 2 344.377 3.606 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000246090920 1124018240 /nfs/dbraw/zinc/01/82/40/1124018240.db2.gz MZNVMQGVFQTTCR-QWHCGFSZSA-N 1 2 344.377 3.606 20 0 EHADLO CO[C@@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C12CCC2 ZINC000453178696 1129172918 /nfs/dbraw/zinc/17/29/18/1129172918.db2.gz IBSCHSKCFIEDBD-RBUKOAKNSA-N 1 2 335.451 3.971 20 0 EHADLO C[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)(C)C ZINC000734515323 1131244983 /nfs/dbraw/zinc/24/49/83/1131244983.db2.gz VTHVFPIQUJMGPS-ZDUSSCGKSA-N 1 2 338.521 3.933 20 0 EHADLO CCCCC[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000734543427 1131251187 /nfs/dbraw/zinc/25/11/87/1131251187.db2.gz WPDQLJISEJUFEQ-QGZVFWFLSA-N 1 2 346.519 3.908 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249147 1124452881 /nfs/dbraw/zinc/45/28/81/1124452881.db2.gz SYYFELSPJYBATD-HUUCEWRRSA-N 1 2 339.505 3.517 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(NC(C)=O)n2)C1(CC)CC ZINC000083249147 1124452886 /nfs/dbraw/zinc/45/28/86/1124452886.db2.gz SYYFELSPJYBATD-HUUCEWRRSA-N 1 2 339.505 3.517 20 0 EHADLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000246432423 1124465006 /nfs/dbraw/zinc/46/50/06/1124465006.db2.gz CQICLNOCSIRQBJ-QRFRQXIXSA-N 1 2 337.467 3.754 20 0 EHADLO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246847363 1124556620 /nfs/dbraw/zinc/55/66/20/1124556620.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 1 2 349.950 3.797 20 0 EHADLO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246847363 1124556627 /nfs/dbraw/zinc/55/66/27/1124556627.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 1 2 349.950 3.797 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)no1 ZINC000247336552 1124605633 /nfs/dbraw/zinc/60/56/33/1124605633.db2.gz JHNSTTHAUGVHIF-HZPDHXFCSA-N 1 2 329.469 3.905 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)no1 ZINC000247336552 1124605635 /nfs/dbraw/zinc/60/56/35/1124605635.db2.gz JHNSTTHAUGVHIF-HZPDHXFCSA-N 1 2 329.469 3.905 20 0 EHADLO C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000617516048 1124621157 /nfs/dbraw/zinc/62/11/57/1124621157.db2.gz RFFQEDZRTCMCRK-GOSISDBHSA-N 1 2 331.847 3.550 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248836969 1124705967 /nfs/dbraw/zinc/70/59/67/1124705967.db2.gz NXBLIBSGDCGUKI-FVQHAEBGSA-N 1 2 334.508 3.692 20 0 EHADLO Cc1cc(N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734833586 1131283810 /nfs/dbraw/zinc/28/38/10/1131283810.db2.gz MQDGGQZJHURNQV-HNNXBMFYSA-N 1 2 346.475 3.864 20 0 EHADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000734850448 1131286912 /nfs/dbraw/zinc/28/69/12/1131286912.db2.gz KRFSHFCRZPMONW-CQSZACIVSA-N 1 2 343.395 3.567 20 0 EHADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccn(C4CCCC4)n3)c(C)n2n1 ZINC000090572743 1124923068 /nfs/dbraw/zinc/92/30/68/1124923068.db2.gz PCPKEXXQCSKUCD-AWEZNQCLSA-N 1 2 338.459 3.509 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3ccc(Cl)cc3C2)c1C ZINC000090616239 1124927129 /nfs/dbraw/zinc/92/71/29/1124927129.db2.gz TYVNPECAKKCRHD-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3ccc(Cl)cc3C2)c1C ZINC000090616239 1124927133 /nfs/dbraw/zinc/92/71/33/1124927133.db2.gz TYVNPECAKKCRHD-UHFFFAOYSA-N 1 2 344.842 3.729 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1C ZINC000091591938 1124990236 /nfs/dbraw/zinc/99/02/36/1124990236.db2.gz RUNNQNUOBISBBK-XEZPLFJOSA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1C ZINC000091591938 1124990240 /nfs/dbraw/zinc/99/02/40/1124990240.db2.gz RUNNQNUOBISBBK-XEZPLFJOSA-N 1 2 349.452 3.959 20 0 EHADLO Cc1nc(C[NH2+]Cc2scnc2C2CC2)sc1Br ZINC000449399354 1124997850 /nfs/dbraw/zinc/99/78/50/1124997850.db2.gz ABMNCTVQKIGVRD-UHFFFAOYSA-N 1 2 344.303 3.838 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cn3cccc(C)c3[nH+]1)[C@H](C)C2 ZINC000619018757 1125265847 /nfs/dbraw/zinc/26/58/47/1125265847.db2.gz JRNXERHUQNJUME-QRWLVFNGSA-N 1 2 333.435 3.543 20 0 EHADLO COc1ccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000254990552 1125359817 /nfs/dbraw/zinc/35/98/17/1125359817.db2.gz JPZWZYVULTUDQY-YHYXMXQVSA-N 1 2 349.390 3.541 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255007305 1125361587 /nfs/dbraw/zinc/36/15/87/1125361587.db2.gz VWZCXVQYHRHMII-YWEYNIOJSA-N 1 2 349.409 3.790 20 0 EHADLO CC[C@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000152733633 1125373627 /nfs/dbraw/zinc/37/36/27/1125373627.db2.gz VFBOKVLIUYQCNX-MRXNPFEDSA-N 1 2 341.455 3.592 20 0 EHADLO CCCCCNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000153024669 1125420029 /nfs/dbraw/zinc/42/00/29/1125420029.db2.gz ULIFGGFGHUPDQG-UHFFFAOYSA-N 1 2 342.405 3.622 20 0 EHADLO Cc1cc(Br)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1O ZINC001237299791 1125420927 /nfs/dbraw/zinc/42/09/27/1125420927.db2.gz XOHYBPVGBUEVQQ-JTQLQIEISA-N 1 2 334.204 3.940 20 0 EHADLO Cc1cc(Br)c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1O ZINC001237299791 1125420930 /nfs/dbraw/zinc/42/09/30/1125420930.db2.gz XOHYBPVGBUEVQQ-JTQLQIEISA-N 1 2 334.204 3.940 20 0 EHADLO OCC[N@H+](Cc1ccccc1)Cc1cc2ccccc2nc1Cl ZINC000070927632 1125430135 /nfs/dbraw/zinc/43/01/35/1125430135.db2.gz AYCHSUOEMJDGRD-UHFFFAOYSA-N 1 2 326.827 3.883 20 0 EHADLO OCC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2nc1Cl ZINC000070927632 1125430137 /nfs/dbraw/zinc/43/01/37/1125430137.db2.gz AYCHSUOEMJDGRD-UHFFFAOYSA-N 1 2 326.827 3.883 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000619953115 1125443624 /nfs/dbraw/zinc/44/36/24/1125443624.db2.gz OGHRAXNDRZAALU-ZQIUZPCESA-N 1 2 338.879 3.721 20 0 EHADLO CC[C@@H](C(=O)OCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000085988347 1129185268 /nfs/dbraw/zinc/18/52/68/1129185268.db2.gz VRGMOHMRYWXCCE-CQSZACIVSA-N 1 2 326.318 3.676 20 0 EHADLO Cc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(C2CC2)[nH+]1 ZINC000338806971 1129205587 /nfs/dbraw/zinc/20/55/87/1129205587.db2.gz BBGCZPSTRWPEAN-INIZCTEOSA-N 1 2 329.831 3.894 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682514891 1129221729 /nfs/dbraw/zinc/22/17/29/1129221729.db2.gz JDJPPDYWHRIGHE-HNNXBMFYSA-N 1 2 339.483 3.795 20 0 EHADLO O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000115015698 1129221976 /nfs/dbraw/zinc/22/19/76/1129221976.db2.gz KLKVMAPQYIEAAV-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cccc(OC)c1OC(F)F)C2 ZINC000543105069 1129234048 /nfs/dbraw/zinc/23/40/48/1129234048.db2.gz GMUPIESFZFJMEO-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cccc(OC)c1OC(F)F)C2 ZINC000543105069 1129234049 /nfs/dbraw/zinc/23/40/49/1129234049.db2.gz GMUPIESFZFJMEO-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO Cc1cccc(C)c1OCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000068938871 1129264692 /nfs/dbraw/zinc/26/46/92/1129264692.db2.gz OXQCXNWAYWQFLD-INIZCTEOSA-N 1 2 339.439 3.525 20 0 EHADLO C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000115489326 1129268631 /nfs/dbraw/zinc/26/86/31/1129268631.db2.gz PAVAOMJCYZVSCT-IAGOWNOFSA-N 1 2 325.456 3.878 20 0 EHADLO COc1ccccc1[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000657355163 1129271812 /nfs/dbraw/zinc/27/18/12/1129271812.db2.gz DIIZVNPLUSIQNV-OAQYLSRUSA-N 1 2 333.435 3.717 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1occc1Br)CCC2 ZINC001143135881 1129338770 /nfs/dbraw/zinc/33/87/70/1129338770.db2.gz LBLSNIYOXNJDOH-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1occc1Br)CCC2 ZINC001143135881 1129338773 /nfs/dbraw/zinc/33/87/73/1129338773.db2.gz LBLSNIYOXNJDOH-UHFFFAOYSA-N 1 2 336.229 3.999 20 0 EHADLO Clc1cccc2c1SCC[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000358215291 1129370553 /nfs/dbraw/zinc/37/05/53/1129370553.db2.gz DZPAJGUZGIHASQ-CQSZACIVSA-N 1 2 348.903 3.985 20 0 EHADLO COc1ccc(-n2ccn(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2=S)cc1 ZINC000735666173 1131370925 /nfs/dbraw/zinc/37/09/25/1131370925.db2.gz CTYNJIUCEZLQHT-KGLIPLIRSA-N 1 2 349.525 3.800 20 0 EHADLO COc1ccc(-n2ccn(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2=S)cc1 ZINC000735666173 1131370930 /nfs/dbraw/zinc/37/09/30/1131370930.db2.gz CTYNJIUCEZLQHT-KGLIPLIRSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+]3CCS[C@H](C)[C@@H]3C)c2=S)c1 ZINC000735668669 1131372286 /nfs/dbraw/zinc/37/22/86/1131372286.db2.gz XPICAHUEKKBGRO-UONOGXRCSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+]3CCS[C@H](C)[C@@H]3C)c2=S)c1 ZINC000735668669 1131372291 /nfs/dbraw/zinc/37/22/91/1131372291.db2.gz XPICAHUEKKBGRO-UONOGXRCSA-N 1 2 349.525 3.800 20 0 EHADLO CC[C@H](CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000081318380 1129413664 /nfs/dbraw/zinc/41/36/64/1129413664.db2.gz NJAMBZMCYQAOAI-SJLPKXTDSA-N 1 2 327.472 3.892 20 0 EHADLO Fc1cc(Br)cc([C@H]([NH2+]Cc2cocn2)C2CC2)c1 ZINC000428846785 1129419676 /nfs/dbraw/zinc/41/96/76/1129419676.db2.gz DLVAMDLNHKJTQN-CQSZACIVSA-N 1 2 325.181 3.817 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000922335840 1129474528 /nfs/dbraw/zinc/47/45/28/1129474528.db2.gz PFAQWXZYWGWLQR-RTBURBONSA-N 1 2 326.415 3.504 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)c(Cl)c1OC ZINC000466472936 1129477635 /nfs/dbraw/zinc/47/76/35/1129477635.db2.gz IYPGKWWBDSPZCI-CYBMUJFWSA-N 1 2 337.778 3.720 20 0 EHADLO CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccc(N)[nH+]c2)cc1 ZINC000922403683 1129523145 /nfs/dbraw/zinc/52/31/45/1129523145.db2.gz DFWRZEVBNRRAMP-QGZVFWFLSA-N 1 2 342.439 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2oc(C(F)F)cc2C)c1C ZINC000624894318 1129535121 /nfs/dbraw/zinc/53/51/21/1129535121.db2.gz IBTKTLXAHQBUIK-UHFFFAOYSA-N 1 2 338.354 3.818 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2[nH+]1 ZINC000338856506 1129535265 /nfs/dbraw/zinc/53/52/65/1129535265.db2.gz ZVYKMSBNKSWSIA-UHFFFAOYSA-N 1 2 328.441 3.807 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3cn(C)nc3Br)oc21 ZINC000922466607 1129543165 /nfs/dbraw/zinc/54/31/65/1129543165.db2.gz ODKPJNPUPKADDS-UHFFFAOYSA-N 1 2 348.244 3.781 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc[nH+]c1N ZINC000922472564 1129544886 /nfs/dbraw/zinc/54/48/86/1129544886.db2.gz NDGRSZCBECBWMB-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@H]2F)o1 ZINC000922525997 1129562343 /nfs/dbraw/zinc/56/23/43/1129562343.db2.gz OYCHEIWQPGNYSE-KDOFPFPSSA-N 1 2 327.359 3.540 20 0 EHADLO Fc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1C(F)(F)F ZINC000922580165 1129579773 /nfs/dbraw/zinc/57/97/73/1129579773.db2.gz YJOZDIGBUSWUCF-CQSZACIVSA-N 1 2 325.309 3.875 20 0 EHADLO Clc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cc2c1OCCCO2 ZINC000922580461 1129580348 /nfs/dbraw/zinc/58/03/48/1129580348.db2.gz DBNNOWHCKOJMCE-INIZCTEOSA-N 1 2 345.830 3.532 20 0 EHADLO c1csc(-c2ncc(C[NH2+][C@@H](c3ncccn3)C3CC3)s2)c1 ZINC000922580252 1129580375 /nfs/dbraw/zinc/58/03/75/1129580375.db2.gz OJJVIRAUSKWCOJ-CQSZACIVSA-N 1 2 328.466 3.903 20 0 EHADLO Cc1nc(C[NH2+][C@H](c2ccccn2)C2CC2)sc1Br ZINC000922580256 1129580543 /nfs/dbraw/zinc/58/05/43/1129580543.db2.gz BCKPNHMPHBLACC-ZDUSSCGKSA-N 1 2 338.274 3.850 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1F ZINC000508967367 1129597699 /nfs/dbraw/zinc/59/76/99/1129597699.db2.gz RJBYYHXAFCFYON-MRXNPFEDSA-N 1 2 347.405 3.894 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1F ZINC000508967367 1129597702 /nfs/dbraw/zinc/59/77/02/1129597702.db2.gz RJBYYHXAFCFYON-MRXNPFEDSA-N 1 2 347.405 3.894 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000922633853 1129608187 /nfs/dbraw/zinc/60/81/87/1129608187.db2.gz FISWAJXTPJGVIV-HNNXBMFYSA-N 1 2 336.439 3.650 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000624941579 1129610608 /nfs/dbraw/zinc/61/06/08/1129610608.db2.gz LYCXLPNPWHFEDQ-UHFFFAOYSA-N 1 2 331.847 3.902 20 0 EHADLO COc1cc(Br)cc(C[NH2+]Cc2csc(C)n2)c1 ZINC000922672343 1129622986 /nfs/dbraw/zinc/62/29/86/1129622986.db2.gz ARCLHAKPYBXMLJ-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000390655427 1129707225 /nfs/dbraw/zinc/70/72/25/1129707225.db2.gz OQNIWSSBKLGJFK-WRWORJQWSA-N 1 2 349.066 3.805 20 0 EHADLO Clc1cc(Cl)cc(-c2nc(C[N@@H+]3CCCOCC3)co2)c1 ZINC000625117048 1129737386 /nfs/dbraw/zinc/73/73/86/1129737386.db2.gz KSKJRTRTTFPYGN-UHFFFAOYSA-N 1 2 327.211 3.871 20 0 EHADLO Clc1cc(Cl)cc(-c2nc(C[N@H+]3CCCOCC3)co2)c1 ZINC000625117048 1129737390 /nfs/dbraw/zinc/73/73/90/1129737390.db2.gz KSKJRTRTTFPYGN-UHFFFAOYSA-N 1 2 327.211 3.871 20 0 EHADLO Clc1c[nH+]ccc1N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000347779235 1129750693 /nfs/dbraw/zinc/75/06/93/1129750693.db2.gz HFEFPYWOTODCON-HNNXBMFYSA-N 1 2 325.803 3.862 20 0 EHADLO CCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673649002 1129754917 /nfs/dbraw/zinc/75/49/17/1129754917.db2.gz DNYFVFFGQWIMCP-CQSZACIVSA-N 1 2 342.405 3.786 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2Br)n1 ZINC000625221607 1129772188 /nfs/dbraw/zinc/77/21/88/1129772188.db2.gz BLPGOTNOWBZPRX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccncc2Br)n1 ZINC000625221607 1129772190 /nfs/dbraw/zinc/77/21/90/1129772190.db2.gz BLPGOTNOWBZPRX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625266229 1129790544 /nfs/dbraw/zinc/79/05/44/1129790544.db2.gz YWTTUUWJARFBOF-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625266229 1129790549 /nfs/dbraw/zinc/79/05/49/1129790549.db2.gz YWTTUUWJARFBOF-QGZVFWFLSA-N 1 2 340.402 3.724 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014237875 1129800866 /nfs/dbraw/zinc/80/08/66/1129800866.db2.gz JIXSFKCNMMDFIQ-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014237875 1129800869 /nfs/dbraw/zinc/80/08/69/1129800869.db2.gz JIXSFKCNMMDFIQ-OAHLLOKOSA-N 1 2 340.320 3.503 20 0 EHADLO CCOc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1OC(F)F ZINC000282434534 1129809271 /nfs/dbraw/zinc/80/92/71/1129809271.db2.gz ZCGDXAGJHCOGGE-GFCCVEGCSA-N 1 2 339.386 3.579 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccn3C)cs2)cn1 ZINC000673755353 1129829869 /nfs/dbraw/zinc/82/98/69/1129829869.db2.gz IYTSEVBULOOLBC-QGZVFWFLSA-N 1 2 341.484 3.609 20 0 EHADLO Cn1cc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccn3C)cs2)cn1 ZINC000673755353 1129829873 /nfs/dbraw/zinc/82/98/73/1129829873.db2.gz IYTSEVBULOOLBC-QGZVFWFLSA-N 1 2 341.484 3.609 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cnc(-c2ccccc2)s1)CC(C)C ZINC000509149499 1129850696 /nfs/dbraw/zinc/85/06/96/1129850696.db2.gz DHMUFWQNVFKGAK-UHFFFAOYSA-N 1 2 332.469 3.831 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cnc(-c2ccccc2)s1)CC(C)C ZINC000509149499 1129850701 /nfs/dbraw/zinc/85/07/01/1129850701.db2.gz DHMUFWQNVFKGAK-UHFFFAOYSA-N 1 2 332.469 3.831 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429138328 1129851016 /nfs/dbraw/zinc/85/10/16/1129851016.db2.gz VNESMOULDWPJHK-HOTGVXAUSA-N 1 2 338.451 3.859 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429138328 1129851018 /nfs/dbraw/zinc/85/10/18/1129851018.db2.gz VNESMOULDWPJHK-HOTGVXAUSA-N 1 2 338.451 3.859 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000673843119 1129883652 /nfs/dbraw/zinc/88/36/52/1129883652.db2.gz ZMZFGMZHFTZGGD-INIZCTEOSA-N 1 2 335.451 3.766 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cs1 ZINC000282467646 1129909594 /nfs/dbraw/zinc/90/95/94/1129909594.db2.gz LLQNSEQXVQQFEQ-PBHICJAKSA-N 1 2 339.464 3.705 20 0 EHADLO COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2noc(C3CCC3)n2)cc1 ZINC000625513065 1129911393 /nfs/dbraw/zinc/91/13/93/1129911393.db2.gz PACYJFJDWHGMJV-QGZVFWFLSA-N 1 2 341.455 3.943 20 0 EHADLO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2noc(C3CCC3)n2)cc1 ZINC000625513065 1129911395 /nfs/dbraw/zinc/91/13/95/1129911395.db2.gz PACYJFJDWHGMJV-QGZVFWFLSA-N 1 2 341.455 3.943 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)c1c[nH]c2ccc(F)cc21 ZINC000625518893 1129914421 /nfs/dbraw/zinc/91/44/21/1129914421.db2.gz ZUXYIYZBVWPIAM-HNNXBMFYSA-N 1 2 330.403 3.523 20 0 EHADLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)c1c[nH]c2ccc(F)cc21 ZINC000625518893 1129914423 /nfs/dbraw/zinc/91/44/23/1129914423.db2.gz ZUXYIYZBVWPIAM-HNNXBMFYSA-N 1 2 330.403 3.523 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000282470573 1129914745 /nfs/dbraw/zinc/91/47/45/1129914745.db2.gz WVCPHPZYLVTJLH-GOSISDBHSA-N 1 2 337.467 3.856 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1ccc(O)c(Cl)c1)c1cccc(Cl)c1 ZINC000509180117 1129922636 /nfs/dbraw/zinc/92/26/36/1129922636.db2.gz DMLAMQLLPJJUPX-HNNXBMFYSA-N 1 2 339.222 3.940 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282484242 1129932704 /nfs/dbraw/zinc/93/27/04/1129932704.db2.gz XVFAWUZPRCTXKN-SCOAYWHSSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H](C)C1CCCCC1 ZINC000673985200 1129939012 /nfs/dbraw/zinc/93/90/12/1129939012.db2.gz KPACAGWXLNQMRB-VYDXJSESSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009233 1129956637 /nfs/dbraw/zinc/95/66/37/1129956637.db2.gz HQBPWGQNNDFBRA-OXQOHEQNSA-N 1 2 340.442 3.928 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009233 1129956638 /nfs/dbraw/zinc/95/66/38/1129956638.db2.gz HQBPWGQNNDFBRA-OXQOHEQNSA-N 1 2 340.442 3.928 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000282506775 1129968705 /nfs/dbraw/zinc/96/87/05/1129968705.db2.gz ZIAZADWXCOBNEE-MRXNPFEDSA-N 1 2 341.430 3.687 20 0 EHADLO O=C(Nc1ccccc1-c1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429212346 1129981042 /nfs/dbraw/zinc/98/10/42/1129981042.db2.gz GWSBJKIEWLLULD-INIZCTEOSA-N 1 2 332.407 3.687 20 0 EHADLO O[C@@H](C[N@@H+]1CCSC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000187018093 1129992845 /nfs/dbraw/zinc/99/28/45/1129992845.db2.gz GGOVXTUYACWVIT-KGLIPLIRSA-N 1 2 340.901 3.620 20 0 EHADLO O[C@@H](C[N@H+]1CCSC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000187018093 1129992849 /nfs/dbraw/zinc/99/28/49/1129992849.db2.gz GGOVXTUYACWVIT-KGLIPLIRSA-N 1 2 340.901 3.620 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)c1 ZINC000674103385 1129999881 /nfs/dbraw/zinc/99/98/81/1129999881.db2.gz LODVYVFSUYBHIK-IRXDYDNUSA-N 1 2 344.499 3.727 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)C1CCCC1 ZINC000674134112 1130014067 /nfs/dbraw/zinc/01/40/67/1130014067.db2.gz FXAAZZBGPIOXRM-HZPDHXFCSA-N 1 2 332.463 3.857 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674316554 1130061066 /nfs/dbraw/zinc/06/10/66/1130061066.db2.gz KJBQPGRWSRTNEN-NSHDSACASA-N 1 2 341.308 3.518 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335833 1130067288 /nfs/dbraw/zinc/06/72/88/1130067288.db2.gz RRWTWPNDRUSLGJ-FUHWJXTLSA-N 1 2 334.467 3.706 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674361988 1130074247 /nfs/dbraw/zinc/07/42/47/1130074247.db2.gz ASIXDGLFIXHLGE-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(c1ccc(OC2CCCC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674361988 1130074254 /nfs/dbraw/zinc/07/42/54/1130074254.db2.gz ASIXDGLFIXHLGE-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362757 1130075232 /nfs/dbraw/zinc/07/52/32/1130075232.db2.gz WTJZIQZREZKQGD-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1ccccc1Oc1cccnc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362757 1130075237 /nfs/dbraw/zinc/07/52/37/1130075237.db2.gz WTJZIQZREZKQGD-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO Cc1ccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000674856936 1130206394 /nfs/dbraw/zinc/20/63/94/1130206394.db2.gz ISLMJJRYQWZASW-GOSISDBHSA-N 1 2 349.438 3.537 20 0 EHADLO COCC[C@H](C)[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000674862950 1130211115 /nfs/dbraw/zinc/21/11/15/1130211115.db2.gz CICJCJAENXJUEY-NSHDSACASA-N 1 2 337.261 3.714 20 0 EHADLO COCC[C@H](C)[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000674862950 1130211120 /nfs/dbraw/zinc/21/11/20/1130211120.db2.gz CICJCJAENXJUEY-NSHDSACASA-N 1 2 337.261 3.714 20 0 EHADLO O=C(Nc1ncc(Cl)s1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000674928746 1130226405 /nfs/dbraw/zinc/22/64/05/1130226405.db2.gz FOVHOVPALVLVNK-CYBMUJFWSA-N 1 2 335.860 3.790 20 0 EHADLO O=C(Nc1ncc(Cl)s1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000674928746 1130226408 /nfs/dbraw/zinc/22/64/08/1130226408.db2.gz FOVHOVPALVLVNK-CYBMUJFWSA-N 1 2 335.860 3.790 20 0 EHADLO Cc1nc(C[N@H+](CC(N)=O)C2CCCC2)oc1-c1ccc(Cl)cc1 ZINC000675177369 1130273966 /nfs/dbraw/zinc/27/39/66/1130273966.db2.gz LCSGIYFIFWJABF-UHFFFAOYSA-N 1 2 347.846 3.533 20 0 EHADLO Cc1nc(C[N@@H+](CC(N)=O)C2CCCC2)oc1-c1ccc(Cl)cc1 ZINC000675177369 1130273970 /nfs/dbraw/zinc/27/39/70/1130273970.db2.gz LCSGIYFIFWJABF-UHFFFAOYSA-N 1 2 347.846 3.533 20 0 EHADLO C[C@@H]1CC[C@@H](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675225477 1130289340 /nfs/dbraw/zinc/28/93/40/1130289340.db2.gz XMOJLAWWZYCBCM-JFIYKMOQSA-N 1 2 325.456 3.646 20 0 EHADLO O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041570785 1130341839 /nfs/dbraw/zinc/34/18/39/1130341839.db2.gz BHXDUNQHYMAZKI-UHFFFAOYSA-N 1 2 335.382 3.821 20 0 EHADLO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000625745744 1130396841 /nfs/dbraw/zinc/39/68/41/1130396841.db2.gz UERSWLYNBWSCIZ-MLGOLLRUSA-N 1 2 338.329 3.576 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000675644057 1130438182 /nfs/dbraw/zinc/43/81/82/1130438182.db2.gz STTUYINCPKKVLN-KSSFIOAISA-N 1 2 329.444 3.923 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000675644057 1130438185 /nfs/dbraw/zinc/43/81/85/1130438185.db2.gz STTUYINCPKKVLN-KSSFIOAISA-N 1 2 329.444 3.923 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N(C1CC1)C1CCCCC1 ZINC000675968882 1130511216 /nfs/dbraw/zinc/51/12/16/1130511216.db2.gz XCHWCRIOPCVDPY-UHFFFAOYSA-N 1 2 327.472 3.509 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1C ZINC000675976332 1130514473 /nfs/dbraw/zinc/51/44/73/1130514473.db2.gz MDPFVOYIHZQWGZ-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3CCC(C)C)[nH+]c12 ZINC000676048643 1130523898 /nfs/dbraw/zinc/52/38/98/1130523898.db2.gz OISGANRCVKKTSU-GOSISDBHSA-N 1 2 342.487 3.795 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000706004142 1130550932 /nfs/dbraw/zinc/55/09/32/1130550932.db2.gz JSJLRYLPINKDGP-YQFWSFKMSA-N 1 2 329.444 3.968 20 0 EHADLO CCOC1CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000727818000 1130600380 /nfs/dbraw/zinc/60/03/80/1130600380.db2.gz BIIGXIHRPQZLPM-UHFFFAOYSA-N 1 2 335.498 3.799 20 0 EHADLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1csc2ccccc21 ZINC000730063876 1130668534 /nfs/dbraw/zinc/66/85/34/1130668534.db2.gz LTUIRXUVJHRAJQ-ZDUSSCGKSA-N 1 2 340.452 3.769 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3[nH]ccc3c2)n1 ZINC000730772160 1130738316 /nfs/dbraw/zinc/73/83/16/1130738316.db2.gz JFUBVMRAVPZJQF-UHFFFAOYSA-N 1 2 328.441 3.719 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000732184595 1130894617 /nfs/dbraw/zinc/89/46/17/1130894617.db2.gz ZPNBIKWCVOVDDS-AWEZNQCLSA-N 1 2 337.537 3.675 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000732184595 1130894624 /nfs/dbraw/zinc/89/46/24/1130894624.db2.gz ZPNBIKWCVOVDDS-AWEZNQCLSA-N 1 2 337.537 3.675 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)oc1C ZINC000732209546 1130897108 /nfs/dbraw/zinc/89/71/08/1130897108.db2.gz MPHHRHUTGBUQCL-LPMFXHHGSA-N 1 2 343.423 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)oc1C ZINC000732209546 1130897118 /nfs/dbraw/zinc/89/71/18/1130897118.db2.gz MPHHRHUTGBUQCL-LPMFXHHGSA-N 1 2 343.423 3.725 20 0 EHADLO Cc1noc2ncc(C[NH2+][C@H](C)c3nc(C(F)(F)F)cs3)cc12 ZINC000822284932 1130981113 /nfs/dbraw/zinc/98/11/13/1130981113.db2.gz YYNCRWYQRWLVAH-MRVPVSSYSA-N 1 2 342.346 3.857 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000733306436 1131020117 /nfs/dbraw/zinc/02/01/17/1131020117.db2.gz ASWLOKDYISLCGP-UHFFFAOYSA-N 1 2 343.471 3.515 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347969680 1131109985 /nfs/dbraw/zinc/10/99/85/1131109985.db2.gz AOLSCFGYPVGTFF-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000347969680 1131109989 /nfs/dbraw/zinc/10/99/89/1131109989.db2.gz AOLSCFGYPVGTFF-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000347995784 1131113892 /nfs/dbraw/zinc/11/38/92/1131113892.db2.gz PLWQUFPAXXDZNW-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000347995784 1131113896 /nfs/dbraw/zinc/11/38/96/1131113896.db2.gz PLWQUFPAXXDZNW-INIZCTEOSA-N 1 2 336.794 3.618 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccncc1 ZINC000348068974 1131138236 /nfs/dbraw/zinc/13/82/36/1131138236.db2.gz IDDVUYUUDVOAHP-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccncc1 ZINC000348068974 1131138239 /nfs/dbraw/zinc/13/82/39/1131138239.db2.gz IDDVUYUUDVOAHP-UHFFFAOYSA-N 1 2 337.345 3.561 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000626092786 1131153014 /nfs/dbraw/zinc/15/30/14/1131153014.db2.gz FRTYFASUAAXNNY-SUMWQHHRSA-N 1 2 349.837 3.718 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)[nH+]c1C ZINC000828171138 1131423931 /nfs/dbraw/zinc/42/39/31/1131423931.db2.gz IHWJZQKQQNDCTK-UHFFFAOYSA-N 1 2 336.439 3.707 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Cc2ccccc2F)n1 ZINC000737812689 1131455788 /nfs/dbraw/zinc/45/57/88/1131455788.db2.gz YOSGAJCCUCPLET-CYBMUJFWSA-N 1 2 349.475 3.941 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCCO[C@H](C)C3)c2=S)c1 ZINC000738163537 1131463678 /nfs/dbraw/zinc/46/36/78/1131463678.db2.gz YSQZKTYNDJMQJX-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCCO[C@H](C)C3)c2=S)c1 ZINC000738163537 1131463679 /nfs/dbraw/zinc/46/36/79/1131463679.db2.gz YSQZKTYNDJMQJX-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738245980 1131466604 /nfs/dbraw/zinc/46/66/04/1131466604.db2.gz PVQFPPJSDJLEEL-RBUKOAKNSA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738245980 1131466605 /nfs/dbraw/zinc/46/66/05/1131466605.db2.gz PVQFPPJSDJLEEL-RBUKOAKNSA-N 1 2 338.476 3.708 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000738991828 1131491377 /nfs/dbraw/zinc/49/13/77/1131491377.db2.gz BBSXUTIASNXMMM-SUMWQHHRSA-N 1 2 333.476 3.817 20 0 EHADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=S)n1CCc1cccs1 ZINC000740860032 1131549953 /nfs/dbraw/zinc/54/99/53/1131549953.db2.gz OKVIXOGCANIGMP-CHWSQXEVSA-N 1 2 336.530 3.715 20 0 EHADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=S)n1CCc1cccs1 ZINC000740860032 1131549959 /nfs/dbraw/zinc/54/99/59/1131549959.db2.gz OKVIXOGCANIGMP-CHWSQXEVSA-N 1 2 336.530 3.715 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740942435 1131559047 /nfs/dbraw/zinc/55/90/47/1131559047.db2.gz FQZWCNJBMOANQQ-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740942435 1131559052 /nfs/dbraw/zinc/55/90/52/1131559052.db2.gz FQZWCNJBMOANQQ-GJZGRUSLSA-N 1 2 336.435 3.836 20 0 EHADLO CCc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000741026912 1131571210 /nfs/dbraw/zinc/57/12/10/1131571210.db2.gz SKZHXBAQMRUKMC-HOTGVXAUSA-N 1 2 331.456 3.628 20 0 EHADLO CCc1nn(C)cc1C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000180053392 1131634147 /nfs/dbraw/zinc/63/41/47/1131634147.db2.gz GZJIZMQNMUJNFJ-UHFFFAOYSA-N 1 2 334.467 3.888 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000180053392 1131634151 /nfs/dbraw/zinc/63/41/51/1131634151.db2.gz GZJIZMQNMUJNFJ-UHFFFAOYSA-N 1 2 334.467 3.888 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000741775315 1131645286 /nfs/dbraw/zinc/64/52/86/1131645286.db2.gz QGZPEECULHSSEO-UONOGXRCSA-N 1 2 332.469 3.817 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000741775315 1131645290 /nfs/dbraw/zinc/64/52/90/1131645290.db2.gz QGZPEECULHSSEO-UONOGXRCSA-N 1 2 332.469 3.817 20 0 EHADLO CC(C)Oc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000742152763 1131693868 /nfs/dbraw/zinc/69/38/68/1131693868.db2.gz LTDGHULYGPLHHS-HNNXBMFYSA-N 1 2 349.525 3.983 20 0 EHADLO CC(C)Oc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(=S)s1 ZINC000742152763 1131693870 /nfs/dbraw/zinc/69/38/70/1131693870.db2.gz LTDGHULYGPLHHS-HNNXBMFYSA-N 1 2 349.525 3.983 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)[nH]1 ZINC000742153003 1131694247 /nfs/dbraw/zinc/69/42/47/1131694247.db2.gz QAYOWWOHJDCPJK-OAHLLOKOSA-N 1 2 330.501 3.760 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@H+]2CC[C@H](Cc3ccccc3)C2)[nH]1 ZINC000742153003 1131694250 /nfs/dbraw/zinc/69/42/50/1131694250.db2.gz QAYOWWOHJDCPJK-OAHLLOKOSA-N 1 2 330.501 3.760 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C[C@H]2C)C1 ZINC000742159533 1131694843 /nfs/dbraw/zinc/69/48/43/1131694843.db2.gz QRWDNPRVCCFYFS-CABCVRRESA-N 1 2 342.508 3.829 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C[C@H]2C)C1 ZINC000742159533 1131694845 /nfs/dbraw/zinc/69/48/45/1131694845.db2.gz QRWDNPRVCCFYFS-CABCVRRESA-N 1 2 342.508 3.829 20 0 EHADLO Cc1ccc(N2CCC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2=O)cc1 ZINC000742419290 1131722120 /nfs/dbraw/zinc/72/21/20/1131722120.db2.gz ARBBHFDZWAUHGQ-QGZVFWFLSA-N 1 2 336.439 3.578 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000742468745 1131733479 /nfs/dbraw/zinc/73/34/79/1131733479.db2.gz IYUVMIVLQCUWQR-OTIVFRFGSA-N 1 2 338.451 3.549 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCOC(C)C ZINC001172442836 1131743711 /nfs/dbraw/zinc/74/37/11/1131743711.db2.gz VKSLBNFKNXROSC-PBHICJAKSA-N 1 2 341.879 3.607 20 0 EHADLO CC(C)COCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172455373 1131750027 /nfs/dbraw/zinc/75/00/27/1131750027.db2.gz RITZAFFYCSWSJS-MJGOQNOKSA-N 1 2 349.515 3.980 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)C1 ZINC001212666262 1131763460 /nfs/dbraw/zinc/76/34/60/1131763460.db2.gz GEVDDJXKPGUYGI-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO COc1ccc(C(C)(C)C)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668372 1131765958 /nfs/dbraw/zinc/76/59/58/1131765958.db2.gz VSEODUBTBZSBCI-UHFFFAOYSA-N 1 2 340.467 3.913 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C/C(C)(C)C ZINC000742943150 1131816320 /nfs/dbraw/zinc/81/63/20/1131816320.db2.gz XJKGAEPFHSCKMH-FMIVXFBMSA-N 1 2 329.488 3.749 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC001172867901 1131863185 /nfs/dbraw/zinc/86/31/85/1131863185.db2.gz BGYSCXSUUZUBIE-AWEZNQCLSA-N 1 2 336.838 3.821 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(Cc2ccco2)CC1 ZINC001172867901 1131863193 /nfs/dbraw/zinc/86/31/93/1131863193.db2.gz BGYSCXSUUZUBIE-AWEZNQCLSA-N 1 2 336.838 3.821 20 0 EHADLO Cc1[nH+]cn(-c2ccc(-c3ccc(F)c(OC(C)C)c3)nn2)c1C ZINC001206178885 1131866793 /nfs/dbraw/zinc/86/67/93/1131866793.db2.gz GSXXVHFLUVCTCF-UHFFFAOYSA-N 1 2 326.375 3.872 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172856723 1131874719 /nfs/dbraw/zinc/87/47/19/1131874719.db2.gz NNNXTFVARHMWPA-ABAIWWIYSA-N 1 2 347.883 3.685 20 0 EHADLO CCOc1ccc(C[N@H+](C)CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000743347301 1131905129 /nfs/dbraw/zinc/90/51/29/1131905129.db2.gz NIPMCVONJOIHIP-OXJNMPFZSA-N 1 2 338.451 3.694 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000743347301 1131905138 /nfs/dbraw/zinc/90/51/38/1131905138.db2.gz NIPMCVONJOIHIP-OXJNMPFZSA-N 1 2 338.451 3.694 20 0 EHADLO CCOC(=O)c1c(Nc2ccc(Cn3cc[nH+]c3)cc2)ccn1CC ZINC001212695175 1131924583 /nfs/dbraw/zinc/92/45/83/1131924583.db2.gz RFSXZLQFOQSTKI-UHFFFAOYSA-N 1 2 338.411 3.673 20 0 EHADLO CC(=O)N1CCc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC001212696869 1131935338 /nfs/dbraw/zinc/93/53/38/1131935338.db2.gz QUWSWWCGSNBRNQ-UHFFFAOYSA-N 1 2 332.407 3.584 20 0 EHADLO COC(=O)/C=C/c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212700223 1131936836 /nfs/dbraw/zinc/93/68/36/1131936836.db2.gz ZVIAQVYVSGDKBE-IZZDOVSWSA-N 1 2 333.391 3.861 20 0 EHADLO CNC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC001212698602 1131936903 /nfs/dbraw/zinc/93/69/03/1131936903.db2.gz XTMHYBHSXMOJTC-UHFFFAOYSA-N 1 2 340.814 3.688 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H]2c2cccc(F)c2)c1C ZINC000743574220 1131945193 /nfs/dbraw/zinc/94/51/93/1131945193.db2.gz OQLCURUKWKOIHW-KRWDZBQOSA-N 1 2 343.402 3.503 20 0 EHADLO O=C1C[N@@H+](C2CCC3(CCCCC3)CC2)CCN1c1ccccn1 ZINC001173120095 1131974157 /nfs/dbraw/zinc/97/41/57/1131974157.db2.gz COVIUSMRXVCVMK-UHFFFAOYSA-N 1 2 327.472 3.623 20 0 EHADLO O=C1C[N@H+](C2CCC3(CCCCC3)CC2)CCN1c1ccccn1 ZINC001173120095 1131974163 /nfs/dbraw/zinc/97/41/63/1131974163.db2.gz COVIUSMRXVCVMK-UHFFFAOYSA-N 1 2 327.472 3.623 20 0 EHADLO O=C(C[NH+]1CCC(OCC2CCCCC2)CC1)OCc1ccccc1 ZINC000743854293 1131986582 /nfs/dbraw/zinc/98/65/82/1131986582.db2.gz SBQDFNHKELHEOJ-UHFFFAOYSA-N 1 2 345.483 3.791 20 0 EHADLO C[C@H]1C[C@@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001173172845 1131991268 /nfs/dbraw/zinc/99/12/68/1131991268.db2.gz GUDOPSBBCYBPAO-BQFCYCMXSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@H]1C[C@@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001173172845 1131991275 /nfs/dbraw/zinc/99/12/75/1131991275.db2.gz GUDOPSBBCYBPAO-BQFCYCMXSA-N 1 2 347.503 3.534 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000744139807 1132028701 /nfs/dbraw/zinc/02/87/01/1132028701.db2.gz KRFKCQBXOXQYCM-AWEZNQCLSA-N 1 2 327.325 3.706 20 0 EHADLO Fc1cccc(C[C@@H]2CCC[N@H+]2Cn2ccc(C(F)(F)F)n2)c1 ZINC000744139807 1132028708 /nfs/dbraw/zinc/02/87/08/1132028708.db2.gz KRFKCQBXOXQYCM-AWEZNQCLSA-N 1 2 327.325 3.706 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 ZINC000744320499 1132065460 /nfs/dbraw/zinc/06/54/60/1132065460.db2.gz YNQWFIMSGRHHON-HNNXBMFYSA-N 1 2 344.484 3.827 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc3[nH+]ccn32)s1 ZINC000744367767 1132078367 /nfs/dbraw/zinc/07/83/67/1132078367.db2.gz OQYVAOCDQKRPBK-BQYQJAHWSA-N 1 2 326.425 3.740 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000744437019 1132093996 /nfs/dbraw/zinc/09/39/96/1132093996.db2.gz ZBFLKLDOJBVFLM-SFHVURJKSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000744437019 1132094005 /nfs/dbraw/zinc/09/40/05/1132094005.db2.gz ZBFLKLDOJBVFLM-SFHVURJKSA-N 1 2 333.501 3.853 20 0 EHADLO Cc1nc2sn(C[N@H+](C)CC3CCCCC3)c(=O)c2c(C)c1C ZINC000744431440 1132096443 /nfs/dbraw/zinc/09/64/43/1132096443.db2.gz WOKCKVNONGNPIT-UHFFFAOYSA-N 1 2 333.501 3.853 20 0 EHADLO Cc1nc2sn(C[N@@H+](C)CC3CCCCC3)c(=O)c2c(C)c1C ZINC000744431440 1132096450 /nfs/dbraw/zinc/09/64/50/1132096450.db2.gz WOKCKVNONGNPIT-UHFFFAOYSA-N 1 2 333.501 3.853 20 0 EHADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(C4CC4)n3)ccc2NC1=O ZINC000744450184 1132102523 /nfs/dbraw/zinc/10/25/23/1132102523.db2.gz WDHUMPLUXNPHHL-BZNIZROVSA-N 1 2 341.411 3.512 20 0 EHADLO COc1cc(Nc2[nH+]cccc2N2CCCCC2)cc(OC)c1OC ZINC001173905893 1132169430 /nfs/dbraw/zinc/16/94/30/1132169430.db2.gz ZBWAYRRGNNMQBT-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO O=C(OCCCC1CCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744964894 1132173821 /nfs/dbraw/zinc/17/38/21/1132173821.db2.gz WAZLMPFSIRPEGW-FQEVSTJZSA-N 1 2 345.483 3.698 20 0 EHADLO Cc1nc(Nc2ccc3[nH]ccc3c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001173937262 1132189360 /nfs/dbraw/zinc/18/93/60/1132189360.db2.gz PAVBEDYGRSVMIT-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc3[nH]ccc3c2)[nH+]1 ZINC001173937262 1132189363 /nfs/dbraw/zinc/18/93/63/1132189363.db2.gz PAVBEDYGRSVMIT-BETUJISGSA-N 1 2 337.427 3.624 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(C(=O)N(CC)CC)cc2)c[nH+]1 ZINC001174063320 1132213514 /nfs/dbraw/zinc/21/35/14/1132213514.db2.gz MVUMZDNVNHORGG-UHFFFAOYSA-N 1 2 326.444 3.763 20 0 EHADLO COCc1ccccc1Nc1ccc2[nH+]cc(Br)n2c1 ZINC001174103311 1132228838 /nfs/dbraw/zinc/22/88/38/1132228838.db2.gz JYHBPHSPLIGGCF-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO COc1ccc(F)c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001174208283 1132285743 /nfs/dbraw/zinc/28/57/43/1132285743.db2.gz LDRRCZMTNKYGGK-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO COC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1OC ZINC001174426008 1132349802 /nfs/dbraw/zinc/34/98/02/1132349802.db2.gz FMSZUDUMMAHSCI-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Clc1csc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174433270 1132353840 /nfs/dbraw/zinc/35/38/40/1132353840.db2.gz RZRXUUDLWRYDCZ-UHFFFAOYSA-N 1 2 338.860 3.856 20 0 EHADLO Cc1cccc(C[N@H+](CC(C)C)CN2c3ccccc3C(=O)C2=O)c1 ZINC000746053075 1132357754 /nfs/dbraw/zinc/35/77/54/1132357754.db2.gz AHALAJHNDKZSKX-UHFFFAOYSA-N 1 2 336.435 3.640 20 0 EHADLO Cc1cccc(C[N@@H+](CC(C)C)CN2c3ccccc3C(=O)C2=O)c1 ZINC000746053075 1132357761 /nfs/dbraw/zinc/35/77/61/1132357761.db2.gz AHALAJHNDKZSKX-UHFFFAOYSA-N 1 2 336.435 3.640 20 0 EHADLO CC(=O)c1ccc(F)cc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174447929 1132373624 /nfs/dbraw/zinc/37/36/24/1132373624.db2.gz FAJIHLWWGRIYOR-UHFFFAOYSA-N 1 2 328.387 3.604 20 0 EHADLO COc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccc1O ZINC001174541400 1132389478 /nfs/dbraw/zinc/38/94/78/1132389478.db2.gz WHWBIAFXRQJKNZ-UHFFFAOYSA-N 1 2 345.196 3.877 20 0 EHADLO CCNC(=O)Nc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001174520191 1132398127 /nfs/dbraw/zinc/39/81/27/1132398127.db2.gz INUNQUNTYRMLJK-UHFFFAOYSA-N 1 2 335.411 3.816 20 0 EHADLO Brc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001174522447 1132398815 /nfs/dbraw/zinc/39/88/15/1132398815.db2.gz ZYNJCBIEIBDHFZ-UHFFFAOYSA-N 1 2 333.233 3.973 20 0 EHADLO Fc1ccc(OC2COC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524627 1132401036 /nfs/dbraw/zinc/40/10/36/1132401036.db2.gz LPOAUVBMDFMNGJ-UHFFFAOYSA-N 1 2 343.402 3.732 20 0 EHADLO CN(C)c1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)n1 ZINC000185273647 1132412600 /nfs/dbraw/zinc/41/26/00/1132412600.db2.gz IFIIOCYKAGEIDB-UHFFFAOYSA-N 1 2 334.851 3.738 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(NC2=CCC3(CC2)OCCO3)cc[nH+]1 ZINC001174635196 1132420482 /nfs/dbraw/zinc/42/04/82/1132420482.db2.gz GBFDHCBVIDJOLY-UHFFFAOYSA-N 1 2 347.415 3.651 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000189321507 1132444963 /nfs/dbraw/zinc/44/49/63/1132444963.db2.gz IHTBSQVYSXVGBT-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000189321507 1132444969 /nfs/dbraw/zinc/44/49/69/1132444969.db2.gz IHTBSQVYSXVGBT-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO Cc1ccccc1COc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000193239067 1132479337 /nfs/dbraw/zinc/47/93/37/1132479337.db2.gz YJZLIAMESVBAEB-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1ccccc1COc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000193239067 1132479340 /nfs/dbraw/zinc/47/93/40/1132479340.db2.gz YJZLIAMESVBAEB-UHFFFAOYSA-N 1 2 335.407 3.868 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001174883970 1132481391 /nfs/dbraw/zinc/48/13/91/1132481391.db2.gz JMQHQCCLQQHPQZ-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC001174883970 1132481393 /nfs/dbraw/zinc/48/13/93/1132481393.db2.gz JMQHQCCLQQHPQZ-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001174883969 1132481740 /nfs/dbraw/zinc/48/17/40/1132481740.db2.gz JMQHQCCLQQHPQZ-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO Cc1ccc(F)cc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001174883969 1132481746 /nfs/dbraw/zinc/48/17/46/1132481746.db2.gz JMQHQCCLQQHPQZ-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO CCOc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1Cl ZINC001212578390 1132503388 /nfs/dbraw/zinc/50/33/88/1132503388.db2.gz VKBOJZGRKQOYFQ-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(C(F)(F)F)c1 ZINC001174975806 1132510113 /nfs/dbraw/zinc/51/01/13/1132510113.db2.gz DISZIJDUONDNLE-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO FC(F)(F)Oc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174977258 1132511652 /nfs/dbraw/zinc/51/16/52/1132511652.db2.gz QPGDQIJCIUICIR-UHFFFAOYSA-N 1 2 339.317 3.560 20 0 EHADLO C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(C)(F)CC4)nc(N)c23)C1 ZINC001175024414 1132532640 /nfs/dbraw/zinc/53/26/40/1132532640.db2.gz FIURIPCLVNBLSO-NSHDSACASA-N 1 2 348.491 3.722 20 0 EHADLO CC(=O)c1ccc(Cl)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979461 1132534336 /nfs/dbraw/zinc/53/43/36/1132534336.db2.gz KKYXRAUVUBSKER-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+]3CC(C)(C)[C@H]3c3cccnc3)C2=O)cc1 ZINC001174984470 1132535029 /nfs/dbraw/zinc/53/50/29/1132535029.db2.gz PMAVJDLGGKGXBD-VQTJNVASSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+]3CC(C)(C)[C@H]3c3cccnc3)C2=O)cc1 ZINC001174984470 1132535036 /nfs/dbraw/zinc/53/50/36/1132535036.db2.gz PMAVJDLGGKGXBD-VQTJNVASSA-N 1 2 349.478 3.969 20 0 EHADLO CC(C)COc1cc(F)cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c1 ZINC001175059640 1132538313 /nfs/dbraw/zinc/53/83/13/1132538313.db2.gz OFKLBMALKQTPSR-KRWDZBQOSA-N 1 2 345.418 3.570 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(NC(C)(C)c3ccc(C)cc3)nc2[nH]1 ZINC001168799490 1132561213 /nfs/dbraw/zinc/56/12/13/1132561213.db2.gz AUGBBFFLRJRSMI-UHFFFAOYSA-N 1 2 338.411 3.742 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2cc(CO)ccc2F)cc[nH+]1 ZINC001175127799 1132574880 /nfs/dbraw/zinc/57/48/80/1132574880.db2.gz IGHAHCXZXBDJIB-UHFFFAOYSA-N 1 2 333.363 3.804 20 0 EHADLO C[C@@H]1CN(C(=O)c2scnc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766530458 1132597991 /nfs/dbraw/zinc/59/79/91/1132597991.db2.gz MHESAJRSUFZDRD-OLZOCXBDSA-N 1 2 349.887 3.532 20 0 EHADLO C[C@@H]1CN(C(=O)c2scnc2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766530458 1132597998 /nfs/dbraw/zinc/59/79/98/1132597998.db2.gz MHESAJRSUFZDRD-OLZOCXBDSA-N 1 2 349.887 3.532 20 0 EHADLO O=C(CCNc1cccc(Cc2ccncc2)[nH+]1)Nc1ccccc1 ZINC001168976392 1132617216 /nfs/dbraw/zinc/61/72/16/1132617216.db2.gz VCNUUMFIZUWHTC-UHFFFAOYSA-N 1 2 332.407 3.508 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]CCCOc1cccc(C(C)(C)C)c1)C(=O)OC ZINC001168979124 1132618061 /nfs/dbraw/zinc/61/80/61/1132618061.db2.gz CALZLNHHWVAJHG-YJBOKZPZSA-N 1 2 335.488 3.930 20 0 EHADLO CN(C)c1ccc(Nc2c(F)cccc2OC2CCOCC2)c[nH+]1 ZINC001175343607 1132627200 /nfs/dbraw/zinc/62/72/00/1132627200.db2.gz KULZXECWCVTNKK-UHFFFAOYSA-N 1 2 331.391 3.588 20 0 EHADLO CN(C)c1ccc(Nc2cnc3c(Br)cccc3n2)c[nH+]1 ZINC001175343053 1132627972 /nfs/dbraw/zinc/62/79/72/1132627972.db2.gz VFJMJESQSGLWGI-UHFFFAOYSA-N 1 2 344.216 3.597 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001169002884 1132628576 /nfs/dbraw/zinc/62/85/76/1132628576.db2.gz DUSGUWWVPQGXFJ-KRWDZBQOSA-N 1 2 349.471 3.676 20 0 EHADLO Cc1ccnc(Br)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175345913 1132629482 /nfs/dbraw/zinc/62/94/82/1132629482.db2.gz IRSARNHLAJDZIN-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO CCOC(=O)C1(c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)CC1 ZINC001169008419 1132631849 /nfs/dbraw/zinc/63/18/49/1132631849.db2.gz DCPIMYCWOJNIIO-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO COC(=O)c1[nH+]ccc(NCCOc2cccc3ccccc32)c1C ZINC001169014529 1132632761 /nfs/dbraw/zinc/63/27/61/1132632761.db2.gz JNQGAMQVHNRBDQ-UHFFFAOYSA-N 1 2 336.391 3.821 20 0 EHADLO CCCOc1cccc(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)c1 ZINC001175333370 1132642231 /nfs/dbraw/zinc/64/22/31/1132642231.db2.gz YDEPZXBRRMJSRG-UHFFFAOYSA-N 1 2 340.471 3.596 20 0 EHADLO CCCOc1cccc(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)c1 ZINC001175333370 1132642234 /nfs/dbraw/zinc/64/22/34/1132642234.db2.gz YDEPZXBRRMJSRG-UHFFFAOYSA-N 1 2 340.471 3.596 20 0 EHADLO COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cnc1Br ZINC001175349265 1132644689 /nfs/dbraw/zinc/64/46/89/1132644689.db2.gz MYPHJBYZYZPRQR-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COC(=O)c1ccc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1C ZINC001175352249 1132645468 /nfs/dbraw/zinc/64/54/68/1132645468.db2.gz SZMHBKCCVIAGFK-UHFFFAOYSA-N 1 2 325.412 3.829 20 0 EHADLO COC(=O)c1cnc2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2c1 ZINC001175350284 1132645651 /nfs/dbraw/zinc/64/56/51/1132645651.db2.gz UMHSAMZLFCBFAL-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO CCOC(=O)Nc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352392 1132647191 /nfs/dbraw/zinc/64/71/91/1132647191.db2.gz VEHJCQDTMJHJJY-UHFFFAOYSA-N 1 2 326.400 3.994 20 0 EHADLO Cc1cc(NCc2cc(F)cc3c2OCOC3)cc(OC(F)F)[nH+]1 ZINC001169098540 1132654674 /nfs/dbraw/zinc/65/46/74/1132654674.db2.gz CYLOCUBICHSJKM-UHFFFAOYSA-N 1 2 340.301 3.609 20 0 EHADLO CC(C)=CCC/C(C)=C/CNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001169135024 1132666406 /nfs/dbraw/zinc/66/64/06/1132666406.db2.gz HPLGPJSKRIVSJZ-NWMLYGLHSA-N 1 2 332.473 3.752 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC001169137783 1132667354 /nfs/dbraw/zinc/66/73/54/1132667354.db2.gz UQZPTHYLNJLESR-NRFANRHFSA-N 1 2 336.479 3.867 20 0 EHADLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC001169137783 1132667359 /nfs/dbraw/zinc/66/73/59/1132667359.db2.gz UQZPTHYLNJLESR-NRFANRHFSA-N 1 2 336.479 3.867 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1(C)C ZINC001169159708 1132681627 /nfs/dbraw/zinc/68/16/27/1132681627.db2.gz VXWUIUXVUXDGQD-MJGOQNOKSA-N 1 2 337.467 3.905 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001175551779 1132709038 /nfs/dbraw/zinc/70/90/38/1132709038.db2.gz JNHICUMBCWWDQP-UHFFFAOYSA-N 1 2 329.400 3.707 20 0 EHADLO Cn1cc2cc(Nc3ccc4[nH+]cc(Br)n4c3)ccc2n1 ZINC001175618106 1132727288 /nfs/dbraw/zinc/72/72/88/1132727288.db2.gz USKWTUWNDWVTEC-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CCOC(=O)c1cc(C)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717361 1132742936 /nfs/dbraw/zinc/74/29/36/1132742936.db2.gz IJFWCZRJEOEIDE-UHFFFAOYSA-N 1 2 339.317 3.911 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2snnc2-c2ccccc2)c[nH+]1 ZINC001175706253 1132753737 /nfs/dbraw/zinc/75/37/37/1132753737.db2.gz MZPMDLLDQHOHSX-UHFFFAOYSA-N 1 2 337.330 3.945 20 0 EHADLO Cc1c(Br)nccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710522 1132755902 /nfs/dbraw/zinc/75/59/02/1132755902.db2.gz GHXDGHPODIAZCQ-UHFFFAOYSA-N 1 2 347.138 3.892 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000766712718 1132761458 /nfs/dbraw/zinc/76/14/58/1132761458.db2.gz VTZGYKGYJPONKQ-UHFFFAOYSA-N 1 2 343.736 3.995 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000867001617 1132794245 /nfs/dbraw/zinc/79/42/45/1132794245.db2.gz SNAZIDBMYOWTKF-XBVQOTNRSA-N 1 2 333.435 3.832 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169582210 1132795469 /nfs/dbraw/zinc/79/54/69/1132795469.db2.gz BDFKEFLLNLNSOT-UHFFFAOYSA-N 1 2 330.472 3.918 20 0 EHADLO Cc1cc(C)c(Nc2cc(S(=O)(=O)N3CCCC3)ccc2C)c[nH+]1 ZINC001176006570 1132816463 /nfs/dbraw/zinc/81/64/63/1132816463.db2.gz SNGWCDJSVJPMIH-UHFFFAOYSA-N 1 2 345.468 3.535 20 0 EHADLO CCN(CC)C(=O)c1ccc(F)c(-n2c(C)[nH+]c3ccc(N)cc32)c1 ZINC001176070677 1132827782 /nfs/dbraw/zinc/82/77/82/1132827782.db2.gz WZEDGBGULJENIF-UHFFFAOYSA-N 1 2 340.402 3.537 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766797684 1132831219 /nfs/dbraw/zinc/83/12/19/1132831219.db2.gz USJQOPCTBYLBJY-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766797684 1132831226 /nfs/dbraw/zinc/83/12/26/1132831226.db2.gz USJQOPCTBYLBJY-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)s1 ZINC001169724760 1132835887 /nfs/dbraw/zinc/83/58/87/1132835887.db2.gz UUCCKMFKSVWOJN-SFHVURJKSA-N 1 2 348.443 3.699 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)s1 ZINC001169724760 1132835894 /nfs/dbraw/zinc/83/58/94/1132835894.db2.gz UUCCKMFKSVWOJN-SFHVURJKSA-N 1 2 348.443 3.699 20 0 EHADLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001176145501 1132845448 /nfs/dbraw/zinc/84/54/48/1132845448.db2.gz LPPNDAFKEHCCQN-GFCCVEGCSA-N 1 2 342.830 3.913 20 0 EHADLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001176145501 1132845457 /nfs/dbraw/zinc/84/54/57/1132845457.db2.gz LPPNDAFKEHCCQN-GFCCVEGCSA-N 1 2 342.830 3.913 20 0 EHADLO Fc1c(Br)ccc2c1C[N@H+](CC1CC(F)(F)C1)CC2 ZINC001176244205 1132885172 /nfs/dbraw/zinc/88/51/72/1132885172.db2.gz WKHQJNQTOSPJGD-UHFFFAOYSA-N 1 2 334.179 3.992 20 0 EHADLO Fc1c(Br)ccc2c1C[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001176244205 1132885177 /nfs/dbraw/zinc/88/51/77/1132885177.db2.gz WKHQJNQTOSPJGD-UHFFFAOYSA-N 1 2 334.179 3.992 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOC2CCCCC2)C3)cc1 ZINC001169908805 1132895614 /nfs/dbraw/zinc/89/56/14/1132895614.db2.gz VNEDHAVCHMXEQR-UHFFFAOYSA-N 1 2 339.483 3.888 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOC2CCCCC2)C3)cc1 ZINC001169908805 1132895622 /nfs/dbraw/zinc/89/56/22/1132895622.db2.gz VNEDHAVCHMXEQR-UHFFFAOYSA-N 1 2 339.483 3.888 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000767034042 1132936851 /nfs/dbraw/zinc/93/68/51/1132936851.db2.gz HZXPHOHMMCTVAQ-KGTBHZDVSA-N 1 2 338.238 3.798 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C)ccc1F ZINC001176517622 1132955485 /nfs/dbraw/zinc/95/54/85/1132955485.db2.gz FNQZEDMPCJUSJR-UHFFFAOYSA-N 1 2 340.402 3.938 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)n1 ZINC001176533842 1132958049 /nfs/dbraw/zinc/95/80/49/1132958049.db2.gz TWHDWXXDUFWNDA-INIZCTEOSA-N 1 2 347.434 3.841 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)n1 ZINC001176533842 1132958053 /nfs/dbraw/zinc/95/80/53/1132958053.db2.gz TWHDWXXDUFWNDA-INIZCTEOSA-N 1 2 347.434 3.841 20 0 EHADLO COC(=O)c1oc2ccccc2c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749708 1132992070 /nfs/dbraw/zinc/99/20/70/1132992070.db2.gz GZLAGMVEHQICEJ-UHFFFAOYSA-N 1 2 337.379 3.958 20 0 EHADLO COc1ccc(Br)c(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176749681 1132992200 /nfs/dbraw/zinc/99/22/00/1132992200.db2.gz KWOKJAQOTBZELX-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO COC(=O)c1cccc2c(Nc3ccc[nH+]c3N3CCCC3)ccnc12 ZINC001176749304 1132992157 /nfs/dbraw/zinc/99/21/57/1132992157.db2.gz CIFUJAGEJMOFEV-UHFFFAOYSA-N 1 2 348.406 3.760 20 0 EHADLO COCOc1ccc(F)cc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001176720315 1132996669 /nfs/dbraw/zinc/99/66/69/1132996669.db2.gz RSTGLVAJOXRTIZ-UHFFFAOYSA-N 1 2 327.359 3.797 20 0 EHADLO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ncc(Br)cc1Cl)C2 ZINC001176803418 1133001021 /nfs/dbraw/zinc/00/10/21/1133001021.db2.gz FWWZIZJVMFPXPE-TVQRCGJNSA-N 1 2 347.709 3.682 20 0 EHADLO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ncc(Br)cc1Cl)C2 ZINC001176803418 1133001027 /nfs/dbraw/zinc/00/10/27/1133001027.db2.gz FWWZIZJVMFPXPE-TVQRCGJNSA-N 1 2 347.709 3.682 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC001176855755 1133009642 /nfs/dbraw/zinc/00/96/42/1133009642.db2.gz HVNXBMTUVAJRBW-INIZCTEOSA-N 1 2 343.423 3.741 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC001176855755 1133009645 /nfs/dbraw/zinc/00/96/45/1133009645.db2.gz HVNXBMTUVAJRBW-INIZCTEOSA-N 1 2 343.423 3.741 20 0 EHADLO CN(C)c1cc(COC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc[nH+]1 ZINC000767511565 1133011275 /nfs/dbraw/zinc/01/12/75/1133011275.db2.gz NZOAVYVBTJKBRD-UHFFFAOYSA-N 1 2 349.434 3.819 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001177040112 1133024688 /nfs/dbraw/zinc/02/46/88/1133024688.db2.gz KOZXPRCUPCDUHS-QGZVFWFLSA-N 1 2 330.403 3.636 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001177142302 1133034569 /nfs/dbraw/zinc/03/45/69/1133034569.db2.gz FHDITYFXALUTLK-UHFFFAOYSA-N 1 2 326.375 3.519 20 0 EHADLO c1nn(-c2ccccc2)cc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001177191518 1133041525 /nfs/dbraw/zinc/04/15/25/1133041525.db2.gz YBLAEIJCWYUCGP-UHFFFAOYSA-N 1 2 347.447 3.681 20 0 EHADLO CCCCC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000767764418 1133049902 /nfs/dbraw/zinc/04/99/02/1133049902.db2.gz YIVXZXIDZCCSBU-GOSISDBHSA-N 1 2 325.456 3.913 20 0 EHADLO CCCCC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000767764418 1133049909 /nfs/dbraw/zinc/04/99/09/1133049909.db2.gz YIVXZXIDZCCSBU-GOSISDBHSA-N 1 2 325.456 3.913 20 0 EHADLO CCC1(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000780641798 1133066800 /nfs/dbraw/zinc/06/68/00/1133066800.db2.gz QLFCLACWOZHDNV-LJQANCHMSA-N 1 2 345.483 3.791 20 0 EHADLO CCC1(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000780641798 1133066805 /nfs/dbraw/zinc/06/68/05/1133066805.db2.gz QLFCLACWOZHDNV-LJQANCHMSA-N 1 2 345.483 3.791 20 0 EHADLO C[C@@H]1C[N@H+](Cn2ccc(Br)n2)CC[C@H]1c1ccccc1 ZINC000767968451 1133078224 /nfs/dbraw/zinc/07/82/24/1133078224.db2.gz GOARYLBWIUVVOR-UKRRQHHQSA-N 1 2 334.261 3.729 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2ccc(Br)n2)CC[C@H]1c1ccccc1 ZINC000767968451 1133078228 /nfs/dbraw/zinc/07/82/28/1133078228.db2.gz GOARYLBWIUVVOR-UKRRQHHQSA-N 1 2 334.261 3.729 20 0 EHADLO C[N@@H+](Cc1csc2ccccc12)Cn1ccc(Br)n1 ZINC000767967264 1133078286 /nfs/dbraw/zinc/07/82/86/1133078286.db2.gz WRHRJQFYYKIQOW-UHFFFAOYSA-N 1 2 336.258 3.950 20 0 EHADLO C[N@H+](Cc1csc2ccccc12)Cn1ccc(Br)n1 ZINC000767967264 1133078290 /nfs/dbraw/zinc/07/82/90/1133078290.db2.gz WRHRJQFYYKIQOW-UHFFFAOYSA-N 1 2 336.258 3.950 20 0 EHADLO Cc1nc(C[NH2+]Cc2c[nH]nc2-c2cccs2)nc2ccccc12 ZINC001177607882 1133085508 /nfs/dbraw/zinc/08/55/08/1133085508.db2.gz GGXUXXXGDVZFSY-UHFFFAOYSA-N 1 2 335.436 3.680 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCc3cc(C)ccc32)cs1 ZINC001177647176 1133092202 /nfs/dbraw/zinc/09/22/02/1133092202.db2.gz XTLSEZBXQLWDSM-KRWDZBQOSA-N 1 2 329.469 3.601 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000768148324 1133097707 /nfs/dbraw/zinc/09/77/07/1133097707.db2.gz PJMZIXBKCORDMK-CYBMUJFWSA-N 1 2 343.427 3.794 20 0 EHADLO C[C@H](C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1)n1cc[nH+]c1 ZINC001177922175 1133114102 /nfs/dbraw/zinc/11/41/02/1133114102.db2.gz ILWJSFFINJWOBL-GFCCVEGCSA-N 1 2 326.787 3.798 20 0 EHADLO c1cc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)co1 ZINC000768224336 1133114667 /nfs/dbraw/zinc/11/46/67/1133114667.db2.gz XHLAABVQRAYZJO-UHFFFAOYSA-N 1 2 339.464 3.721 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(C(F)(F)F)cc2ncccc21 ZINC001177996444 1133122191 /nfs/dbraw/zinc/12/21/91/1133122191.db2.gz GLAODVITLNEJSV-UHFFFAOYSA-N 1 2 334.301 3.548 20 0 EHADLO O=C(c1cc2ccccc2cc1O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178094438 1133135047 /nfs/dbraw/zinc/13/50/47/1133135047.db2.gz HXFPYAGDPSWCEV-UHFFFAOYSA-N 1 2 347.418 3.657 20 0 EHADLO O=C(/C(F)=C/C1CCCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178094376 1133135367 /nfs/dbraw/zinc/13/53/67/1133135367.db2.gz GIXVMKWHRPZIJE-VKAVYKQESA-N 1 2 331.435 3.918 20 0 EHADLO FC1(F)Oc2cccc(CNc3cccc(-n4cc[nH+]c4)c3)c2O1 ZINC001178132164 1133138926 /nfs/dbraw/zinc/13/89/26/1133138926.db2.gz NAJMGHLQSMUZTQ-UHFFFAOYSA-N 1 2 329.306 3.806 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000768512642 1133147844 /nfs/dbraw/zinc/14/78/44/1133147844.db2.gz SIVSIWVXVDEXSS-UHFFFAOYSA-N 1 2 342.786 3.745 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000768518225 1133154647 /nfs/dbraw/zinc/15/46/47/1133154647.db2.gz ZQFHGBPXKUUZIC-UHFFFAOYSA-N 1 2 348.815 3.693 20 0 EHADLO COc1ccc(CNc2cc(CSCCO)cc[nH+]2)c(Cl)c1 ZINC001178421545 1133168044 /nfs/dbraw/zinc/16/80/44/1133168044.db2.gz HUVPSHHAEGQLAD-UHFFFAOYSA-N 1 2 338.860 3.581 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@@H+]2CCCC3(COC3)C2)c1F ZINC001249867654 1133168172 /nfs/dbraw/zinc/16/81/72/1133168172.db2.gz BIHYYBIJRPZJMP-UHFFFAOYSA-N 1 2 346.215 3.648 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@H+]2CCCC3(COC3)C2)c1F ZINC001249867654 1133168179 /nfs/dbraw/zinc/16/81/79/1133168179.db2.gz BIHYYBIJRPZJMP-UHFFFAOYSA-N 1 2 346.215 3.648 20 0 EHADLO COC(=O)c1ccc(CNc2[nH+]c3ccccc3n2C(C)(C)C)n1C ZINC001179472987 1133253915 /nfs/dbraw/zinc/25/39/15/1133253915.db2.gz HRXGFKUKFROWKX-UHFFFAOYSA-N 1 2 340.427 3.529 20 0 EHADLO COc1cccc2cc(C[N@@H+]3CCC[C@H]3C(=O)OC(C)(C)C)oc21 ZINC000769326359 1133262499 /nfs/dbraw/zinc/26/24/99/1133262499.db2.gz KMBSXRHEOUBTSU-HNNXBMFYSA-N 1 2 331.412 3.748 20 0 EHADLO COc1cccc2cc(C[N@H+]3CCC[C@H]3C(=O)OC(C)(C)C)oc21 ZINC000769326359 1133262502 /nfs/dbraw/zinc/26/25/02/1133262502.db2.gz KMBSXRHEOUBTSU-HNNXBMFYSA-N 1 2 331.412 3.748 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cnc1Cl ZINC000769485319 1133289848 /nfs/dbraw/zinc/28/98/48/1133289848.db2.gz NELMTTUUGBPIOY-LJQANCHMSA-N 1 2 328.843 3.717 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cnc1Cl ZINC000769485319 1133289852 /nfs/dbraw/zinc/28/98/52/1133289852.db2.gz NELMTTUUGBPIOY-LJQANCHMSA-N 1 2 328.843 3.717 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc2ccccc2n1C ZINC001179898009 1133294039 /nfs/dbraw/zinc/29/40/39/1133294039.db2.gz DCRKIRVDJPNIKD-GOSISDBHSA-N 1 2 333.479 3.885 20 0 EHADLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc2ccccc2n1C ZINC001179898009 1133294041 /nfs/dbraw/zinc/29/40/41/1133294041.db2.gz DCRKIRVDJPNIKD-GOSISDBHSA-N 1 2 333.479 3.885 20 0 EHADLO Cc1sc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1Br ZINC001179869303 1133296973 /nfs/dbraw/zinc/29/69/73/1133296973.db2.gz RCCMVOQNKLCUQJ-ZDUSSCGKSA-N 1 2 346.290 3.546 20 0 EHADLO Cc1sc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1Br ZINC001179869303 1133296976 /nfs/dbraw/zinc/29/69/76/1133296976.db2.gz RCCMVOQNKLCUQJ-ZDUSSCGKSA-N 1 2 346.290 3.546 20 0 EHADLO CN1CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C(C)(C)C1=O ZINC001180093812 1133322728 /nfs/dbraw/zinc/32/27/28/1133322728.db2.gz WNGRPNCLSRMMTD-UHFFFAOYSA-N 1 2 342.414 3.671 20 0 EHADLO CN1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C(C)(C)C1=O ZINC001180093812 1133322734 /nfs/dbraw/zinc/32/27/34/1133322734.db2.gz WNGRPNCLSRMMTD-UHFFFAOYSA-N 1 2 342.414 3.671 20 0 EHADLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Cl)ccc1F ZINC000769855790 1133351823 /nfs/dbraw/zinc/35/18/23/1133351823.db2.gz SQUDIKMEBOKRKI-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Cl)ccc1F ZINC000769855790 1133351828 /nfs/dbraw/zinc/35/18/28/1133351828.db2.gz SQUDIKMEBOKRKI-UHFFFAOYSA-N 1 2 330.794 3.692 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC001180284805 1133357719 /nfs/dbraw/zinc/35/77/19/1133357719.db2.gz MMKQPOJHHNWNCE-QPJJXVBHSA-N 1 2 344.474 3.954 20 0 EHADLO Cc1cccc(C2=CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1C ZINC001180320369 1133361263 /nfs/dbraw/zinc/36/12/63/1133361263.db2.gz NBPPEVYGRKEPIE-UHFFFAOYSA-N 1 2 331.419 3.881 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)o1 ZINC001180531067 1133383896 /nfs/dbraw/zinc/38/38/96/1133383896.db2.gz BZECSKKJUQJOQL-UHFFFAOYSA-N 1 2 327.350 3.700 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)o1 ZINC001180531067 1133383901 /nfs/dbraw/zinc/38/39/01/1133383901.db2.gz BZECSKKJUQJOQL-UHFFFAOYSA-N 1 2 327.350 3.700 20 0 EHADLO CC(C)(C)c1cc(NC(=O)c2cccc3[nH+]ccn32)n(C(C)(C)C)n1 ZINC000770078339 1133385076 /nfs/dbraw/zinc/38/50/76/1133385076.db2.gz OWRMPYHPPYTKRC-UHFFFAOYSA-N 1 2 339.443 3.836 20 0 EHADLO FC(F)n1cccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001180558357 1133391272 /nfs/dbraw/zinc/39/12/72/1133391272.db2.gz MNGJCOFJZPEFEM-UHFFFAOYSA-N 1 2 339.817 3.854 20 0 EHADLO CCOc1ccc(C[NH+]2CCN(C/C(Cl)=C\Cl)CC2)cc1 ZINC000746500389 1133407519 /nfs/dbraw/zinc/40/75/19/1133407519.db2.gz TYHPLFARQLKIDV-RVDMUPIBSA-N 1 2 329.271 3.522 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000770356805 1133420651 /nfs/dbraw/zinc/42/06/51/1133420651.db2.gz ZKFZDUCATOBBJI-HXUWFJFHSA-N 1 2 341.451 3.752 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000770356805 1133420654 /nfs/dbraw/zinc/42/06/54/1133420654.db2.gz ZKFZDUCATOBBJI-HXUWFJFHSA-N 1 2 341.451 3.752 20 0 EHADLO CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)Oc1ccccc1Cl ZINC000770434242 1133429617 /nfs/dbraw/zinc/42/96/17/1133429617.db2.gz IYHWHGOLNPNACL-ZDUSSCGKSA-N 1 2 343.814 3.575 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NCc1cc(Br)cnc1F ZINC001180954089 1133435807 /nfs/dbraw/zinc/43/58/07/1133435807.db2.gz UNWPNORLYCXLRA-UHFFFAOYSA-N 1 2 340.196 3.778 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)CCO1 ZINC000151356864 1133436818 /nfs/dbraw/zinc/43/68/18/1133436818.db2.gz FRDQKNWLJAIZEG-QGZVFWFLSA-N 1 2 348.450 3.710 20 0 EHADLO CC[C@H]1CCc2nc(NC(=O)c3cccc4[nH+]ccn43)sc2C1 ZINC000770659881 1133455816 /nfs/dbraw/zinc/45/58/16/1133455816.db2.gz VAGSBPUALWOFDS-NSHDSACASA-N 1 2 326.425 3.558 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(OC(F)(F)F)cc1 ZINC000770733468 1133466470 /nfs/dbraw/zinc/46/64/70/1133466470.db2.gz MHRFMFXKYPZSCY-UHFFFAOYSA-N 1 2 336.269 3.590 20 0 EHADLO O=C(CCC(=O)c1ccc(Cl)cc1)OCc1cccc2[nH+]ccn21 ZINC000770918873 1133483933 /nfs/dbraw/zinc/48/39/33/1133483933.db2.gz CJRPHIVXBHAMHS-UHFFFAOYSA-N 1 2 342.782 3.694 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Br)c(F)c1 ZINC000770922494 1133484611 /nfs/dbraw/zinc/48/46/11/1133484611.db2.gz PPFOGVINFXFPCB-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO CC(C)COc1ccc(CC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770924494 1133484697 /nfs/dbraw/zinc/48/46/97/1133484697.db2.gz FDADLEAUYTWOEZ-UHFFFAOYSA-N 1 2 338.407 3.655 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921207 1133484938 /nfs/dbraw/zinc/48/49/38/1133484938.db2.gz NJWIYUHRVKAASV-ZDUSSCGKSA-N 1 2 344.798 3.807 20 0 EHADLO O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cccc2[nH+]ccn21 ZINC000770924912 1133485574 /nfs/dbraw/zinc/48/55/74/1133485574.db2.gz KATKVANTNYYBCB-UHFFFAOYSA-N 1 2 346.386 3.855 20 0 EHADLO COc1cccc2c1C[N@H+](Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC001181817940 1133534595 /nfs/dbraw/zinc/53/45/95/1133534595.db2.gz DDWKQTQCALJTDU-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO COc1cccc2c1C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC001181817940 1133534599 /nfs/dbraw/zinc/53/45/99/1133534599.db2.gz DDWKQTQCALJTDU-UHFFFAOYSA-N 1 2 337.341 3.994 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1O ZINC001182115620 1133574158 /nfs/dbraw/zinc/57/41/58/1133574158.db2.gz NHLBNBZLRGELRP-VXGBXAGGSA-N 1 2 327.266 3.856 20 0 EHADLO Cc1cc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c2c([nH+]1)CCCC2 ZINC001182173874 1133576281 /nfs/dbraw/zinc/57/62/81/1133576281.db2.gz MMNVTKJFXSJPBB-OAHLLOKOSA-N 1 2 349.478 3.888 20 0 EHADLO C[NH+](C)Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2O)cc1 ZINC001182295011 1133619594 /nfs/dbraw/zinc/61/95/94/1133619594.db2.gz WEZHSUFTBDPNPO-UHFFFAOYSA-N 1 2 338.329 3.725 20 0 EHADLO C/C(=C/C(C)(C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000772108409 1133641407 /nfs/dbraw/zinc/64/14/07/1133641407.db2.gz BOQDAMRWLVMUTR-NHRMXYMRSA-N 1 2 325.456 3.813 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2(F)CCCC2)c(C)c1 ZINC000772185999 1133650206 /nfs/dbraw/zinc/65/02/06/1133650206.db2.gz MONCOBPUBGXELB-QGZVFWFLSA-N 1 2 329.419 3.640 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001170039046 1133655188 /nfs/dbraw/zinc/65/51/88/1133655188.db2.gz KRXUGJDCZMFTMT-HNNXBMFYSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC001170039046 1133655189 /nfs/dbraw/zinc/65/51/89/1133655189.db2.gz KRXUGJDCZMFTMT-HNNXBMFYSA-N 1 2 339.867 3.568 20 0 EHADLO C[C@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000780426576 1133659804 /nfs/dbraw/zinc/65/98/04/1133659804.db2.gz GYKOMKXDGQCDEU-ICSRJNTNSA-N 1 2 327.472 3.605 20 0 EHADLO C[C@]1(C2CCCC2)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000780426576 1133659805 /nfs/dbraw/zinc/65/98/05/1133659805.db2.gz GYKOMKXDGQCDEU-ICSRJNTNSA-N 1 2 327.472 3.605 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001170040952 1133671892 /nfs/dbraw/zinc/67/18/92/1133671892.db2.gz ZRHVSOXECSIDSM-MRXNPFEDSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001170040952 1133671895 /nfs/dbraw/zinc/67/18/95/1133671895.db2.gz ZRHVSOXECSIDSM-MRXNPFEDSA-N 1 2 339.867 3.568 20 0 EHADLO C[C@@]1(Br)C[C@@H]1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182624686 1133706984 /nfs/dbraw/zinc/70/69/84/1133706984.db2.gz BNRWDYKSJOSKIM-RHSMWYFYSA-N 1 2 346.268 3.517 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)C(=O)O1 ZINC000785506552 1133715304 /nfs/dbraw/zinc/71/53/04/1133715304.db2.gz YXXBYOSDHLXSJQ-ROUUACIJSA-N 1 2 346.471 3.665 20 0 EHADLO CC(C)(C)C[C@H]1CN(C[N@H+]2CCCO[C@H](c3ccccc3)C2)C(=O)O1 ZINC000785506552 1133715310 /nfs/dbraw/zinc/71/53/10/1133715310.db2.gz YXXBYOSDHLXSJQ-ROUUACIJSA-N 1 2 346.471 3.665 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000785536393 1133718287 /nfs/dbraw/zinc/71/82/87/1133718287.db2.gz GFYMPFOOWLQYPV-UHFFFAOYSA-N 1 2 346.356 3.884 20 0 EHADLO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000785567388 1133728009 /nfs/dbraw/zinc/72/80/09/1133728009.db2.gz XFBGUJYINLGJJX-NVXWUHKLSA-N 1 2 326.444 3.640 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(Br)cn1)CCC2 ZINC001206548744 1133751065 /nfs/dbraw/zinc/75/10/65/1133751065.db2.gz WUXDFPQIRGAMTI-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(Br)cn1)CCC2 ZINC001206548744 1133751069 /nfs/dbraw/zinc/75/10/69/1133751069.db2.gz WUXDFPQIRGAMTI-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO Cc1ccc(NC(=O)Nc2cc(C)c(O)c(C)c2C)c(N(C)C)[nH+]1 ZINC000785860648 1133766432 /nfs/dbraw/zinc/76/64/32/1133766432.db2.gz RXDIXPOIRAFUHO-UHFFFAOYSA-N 1 2 328.416 3.731 20 0 EHADLO CSC[C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001183219024 1133779837 /nfs/dbraw/zinc/77/98/37/1133779837.db2.gz DAAPJIJOMZHUII-QMTHXVAHSA-N 1 2 349.327 3.711 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cc(Cl)ccc2C)c1C ZINC000786116752 1133802435 /nfs/dbraw/zinc/80/24/35/1133802435.db2.gz NADHKTKVHSELIV-UHFFFAOYSA-N 1 2 347.846 3.668 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(C(C)C)nn3C)c2)[nH+]c1C ZINC000746594869 1133880994 /nfs/dbraw/zinc/88/09/94/1133880994.db2.gz VELWFROBZBZSDG-UHFFFAOYSA-N 1 2 337.427 3.803 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C1CC2(C1)CC(F)(F)C2 ZINC001184202905 1133906507 /nfs/dbraw/zinc/90/65/07/1133906507.db2.gz VRDWPSSFAIGQKP-UHFFFAOYSA-N 1 2 331.366 3.695 20 0 EHADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1)c1nccc2ccccc21 ZINC001184328875 1133927959 /nfs/dbraw/zinc/92/79/59/1133927959.db2.gz UEGFEJANAWGWNG-KPZWWZAWSA-N 1 2 339.826 3.765 20 0 EHADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC001184337848 1133929561 /nfs/dbraw/zinc/92/95/61/1133929561.db2.gz ISQZVDIBAZXYAN-UHFFFAOYSA-N 1 2 340.423 3.647 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccnc(Cl)c3)n2)c1 ZINC000787011671 1133933982 /nfs/dbraw/zinc/93/39/82/1133933982.db2.gz KAYHPXWYEIINCC-NEPJUHHUSA-N 1 2 342.834 3.635 20 0 EHADLO CC(C)(C)n1c2ccccc2[nH+]c1N[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001184452818 1133942467 /nfs/dbraw/zinc/94/24/67/1133942467.db2.gz UEWVNVGBYWLYHK-KGLIPLIRSA-N 1 2 347.434 3.837 20 0 EHADLO CCC[N@H+](Cc1cc(Br)nn1C)Cc1ccccc1F ZINC000787091479 1133950043 /nfs/dbraw/zinc/95/00/43/1133950043.db2.gz BVIUIZSZMILYQL-UHFFFAOYSA-N 1 2 340.240 3.734 20 0 EHADLO CCC[N@@H+](Cc1cc(Br)nn1C)Cc1ccccc1F ZINC000787091479 1133950050 /nfs/dbraw/zinc/95/00/50/1133950050.db2.gz BVIUIZSZMILYQL-UHFFFAOYSA-N 1 2 340.240 3.734 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+](C)CCC3CC3)c(=S)o2)c1 ZINC000746636321 1133953868 /nfs/dbraw/zinc/95/38/68/1133953868.db2.gz CJARXDDHUUMZGT-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+](C)CCC3CC3)c(=S)o2)c1 ZINC000746636321 1133953871 /nfs/dbraw/zinc/95/38/71/1133953871.db2.gz CJARXDDHUUMZGT-UHFFFAOYSA-N 1 2 333.457 3.782 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001184572331 1133960150 /nfs/dbraw/zinc/96/01/50/1133960150.db2.gz BNVCJFADRJHDPZ-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO COc1ccc(OC)c2sc(Nc3ccc(N(C)C)[nH+]c3)nc21 ZINC001184729561 1133984260 /nfs/dbraw/zinc/98/42/60/1133984260.db2.gz NEQWQGHJAZSZRZ-UHFFFAOYSA-N 1 2 330.413 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@H]2CCCC[C@@H]2C)c1C ZINC000746685433 1134007975 /nfs/dbraw/zinc/00/79/75/1134007975.db2.gz PFFUPPUWGIXEFI-WFASDCNBSA-N 1 2 335.517 3.592 20 0 EHADLO CN(c1ccc[nH+]c1N1CCCC1)c1c(N)cccc1Br ZINC001184965511 1134008268 /nfs/dbraw/zinc/00/82/68/1134008268.db2.gz WROLIEADGIAUDR-UHFFFAOYSA-N 1 2 347.260 3.794 20 0 EHADLO Nc1cc(COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc[nH+]1 ZINC000787572859 1134018858 /nfs/dbraw/zinc/01/88/58/1134018858.db2.gz PEKSBJGJWZYJCK-UHFFFAOYSA-N 1 2 345.358 3.829 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC001185089478 1134027721 /nfs/dbraw/zinc/02/77/21/1134027721.db2.gz FNXGIGNLLDENAJ-UHFFFAOYSA-N 1 2 342.349 3.814 20 0 EHADLO O=C(CC(=O)c1ccccc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001185427956 1134083371 /nfs/dbraw/zinc/08/33/71/1134083371.db2.gz XMBQCXGUTOLIHJ-UHFFFAOYSA-N 1 2 339.782 3.737 20 0 EHADLO CC(C)OCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245939 1134098762 /nfs/dbraw/zinc/09/87/62/1134098762.db2.gz HHHLURZSGNJPCL-INIZCTEOSA-N 1 2 347.503 3.636 20 0 EHADLO CC(C)OCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245939 1134098769 /nfs/dbraw/zinc/09/87/69/1134098769.db2.gz HHHLURZSGNJPCL-INIZCTEOSA-N 1 2 347.503 3.636 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001185758554 1134129523 /nfs/dbraw/zinc/12/95/23/1134129523.db2.gz RUFGVVWLHSCRHE-KRWDZBQOSA-N 1 2 349.425 3.513 20 0 EHADLO COC(=O)C[N@H+](Cc1cc2ccccc2c(Cl)n1)C1CCCC1 ZINC000788487160 1134131294 /nfs/dbraw/zinc/13/12/94/1134131294.db2.gz DHUVRHBSJOVIIF-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc2ccccc2c(Cl)n1)C1CCCC1 ZINC000788487160 1134131296 /nfs/dbraw/zinc/13/12/96/1134131296.db2.gz DHUVRHBSJOVIIF-UHFFFAOYSA-N 1 2 332.831 3.806 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(Cl)nc1 ZINC000788973272 1134198006 /nfs/dbraw/zinc/19/80/06/1134198006.db2.gz QQTHSHZXCNHYBA-SSDOTTSWSA-N 1 2 332.654 3.805 20 0 EHADLO C[C@H](NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC001186388716 1134207369 /nfs/dbraw/zinc/20/73/69/1134207369.db2.gz AEDICHJHWUZODE-INIZCTEOSA-N 1 2 345.487 3.609 20 0 EHADLO Nc1cc(Cl)[nH+]c(NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000154797773 1134210788 /nfs/dbraw/zinc/21/07/88/1134210788.db2.gz DKKMWXPTDUWYDO-JTQLQIEISA-N 1 2 332.618 3.770 20 0 EHADLO CCc1cc(N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc(CC)[nH+]1 ZINC001186381582 1134211841 /nfs/dbraw/zinc/21/18/41/1134211841.db2.gz VMTPLIOMZGZCSJ-GOEBONIOSA-N 1 2 343.496 3.607 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c[nH]nc1-c1ccoc1 ZINC000789082976 1134219731 /nfs/dbraw/zinc/21/97/31/1134219731.db2.gz RTYBKUZPKKPHDB-UHFFFAOYSA-N 1 2 348.362 3.521 20 0 EHADLO COc1c(C)cccc1CNc1nc(C)[nH+]c(C)c1Br ZINC001186871766 1134264800 /nfs/dbraw/zinc/26/48/00/1134264800.db2.gz BRKILBCFCOADSW-UHFFFAOYSA-N 1 2 336.233 3.785 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001186859634 1134269888 /nfs/dbraw/zinc/26/98/88/1134269888.db2.gz CSPCHJISJRDNPW-UHFFFAOYSA-N 1 2 337.379 3.542 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@]4(C3)CCCOC4)c(=S)o2)cc1 ZINC000789543398 1134294110 /nfs/dbraw/zinc/29/41/10/1134294110.db2.gz CBWIPSQILIGBKC-SFHVURJKSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@]4(C3)CCCOC4)c(=S)o2)cc1 ZINC000789543398 1134294115 /nfs/dbraw/zinc/29/41/15/1134294115.db2.gz CBWIPSQILIGBKC-SFHVURJKSA-N 1 2 345.468 3.641 20 0 EHADLO CCC(CC)(CNc1[nH+]cnc2c1cnn2C)c1ccc(F)cc1 ZINC001187123211 1134300457 /nfs/dbraw/zinc/30/04/57/1134300457.db2.gz HHWGUSUTBCNSBL-UHFFFAOYSA-N 1 2 327.407 3.672 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(\C)c2ccc(F)cc2)c1C ZINC000746864614 1134349241 /nfs/dbraw/zinc/34/92/41/1134349241.db2.gz HLRRBHHGPBOOET-JLHYYAGUSA-N 1 2 342.414 3.908 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000775139377 1134370871 /nfs/dbraw/zinc/37/08/71/1134370871.db2.gz ZASYKWIWBYTTHN-AWEZNQCLSA-N 1 2 338.377 3.658 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000775139377 1134370878 /nfs/dbraw/zinc/37/08/78/1134370878.db2.gz ZASYKWIWBYTTHN-AWEZNQCLSA-N 1 2 338.377 3.658 20 0 EHADLO C/C(=C\C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000790158388 1134376407 /nfs/dbraw/zinc/37/64/07/1134376407.db2.gz RRHHJGVQLIBSDL-FYWRMAATSA-N 1 2 329.488 3.918 20 0 EHADLO COCC[N@H+](Cn1nc(OC(C)C)sc1=S)[C@H]1CC[C@@H](C)C1 ZINC000790480199 1134423993 /nfs/dbraw/zinc/42/39/93/1134423993.db2.gz RFIVVMIIEZHXDV-OLZOCXBDSA-N 1 2 345.534 3.556 20 0 EHADLO COCC[N@@H+](Cn1nc(OC(C)C)sc1=S)[C@H]1CC[C@@H](C)C1 ZINC000790480199 1134423997 /nfs/dbraw/zinc/42/39/97/1134423997.db2.gz RFIVVMIIEZHXDV-OLZOCXBDSA-N 1 2 345.534 3.556 20 0 EHADLO CSc1cccc(NC(=O)NCc2c[nH+]c3ccc(F)cn23)c1 ZINC001188073963 1134424384 /nfs/dbraw/zinc/42/43/84/1134424384.db2.gz XIAAFTIQRYTSLL-UHFFFAOYSA-N 1 2 330.388 3.517 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2CCC2)cc1 ZINC000790489939 1134425222 /nfs/dbraw/zinc/42/52/22/1134425222.db2.gz YTXMFGDREXHCLM-GOSISDBHSA-N 1 2 325.456 3.995 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cnc1Cl ZINC000790635855 1134444246 /nfs/dbraw/zinc/44/42/46/1134444246.db2.gz MXLDPYRPARNIJS-UHFFFAOYSA-N 1 2 326.831 3.578 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c(C(F)(F)F)c1 ZINC001188265465 1134448185 /nfs/dbraw/zinc/44/81/85/1134448185.db2.gz JFWZOXAEODLMCP-UHFFFAOYSA-N 1 2 348.328 3.541 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3cc(Cl)ccc3C)n2c1 ZINC001188734782 1134502846 /nfs/dbraw/zinc/50/28/46/1134502846.db2.gz GHLKFBVJKLJTIJ-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1nc(Cl)ccc1C(F)(F)F ZINC001188756226 1134505271 /nfs/dbraw/zinc/50/52/71/1134505271.db2.gz QNLGMUFRJDEFDG-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO Cc1ccc(/C=C/C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000791446499 1134552979 /nfs/dbraw/zinc/55/29/79/1134552979.db2.gz KUCOYNIEJYNIMK-VMPITWQZSA-N 1 2 333.391 3.641 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](c1ccccc1)N(C)C ZINC000791450823 1134553355 /nfs/dbraw/zinc/55/33/55/1134553355.db2.gz PUEPEVSRIJWFGO-FQEVSTJZSA-N 1 2 349.434 3.527 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)Nc1cccc(Cl)c1Cl ZINC001189244434 1134556540 /nfs/dbraw/zinc/55/65/40/1134556540.db2.gz XOANLPJJARVPMY-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)Nc1cccc(Cl)c1Cl ZINC001189244434 1134556542 /nfs/dbraw/zinc/55/65/42/1134556542.db2.gz XOANLPJJARVPMY-SNVBAGLBSA-N 1 2 334.222 3.549 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC000791466811 1134560764 /nfs/dbraw/zinc/56/07/64/1134560764.db2.gz IAXMTBLMZUGADI-SJLPKXTDSA-N 1 2 347.480 3.668 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC000791466811 1134560769 /nfs/dbraw/zinc/56/07/69/1134560769.db2.gz IAXMTBLMZUGADI-SJLPKXTDSA-N 1 2 347.480 3.668 20 0 EHADLO CC[C@H](C)n1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000791680808 1134589705 /nfs/dbraw/zinc/58/97/05/1134589705.db2.gz AAEKCTVDYSNENE-AWEZNQCLSA-N 1 2 338.411 3.705 20 0 EHADLO CCC[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000121368409 1134601177 /nfs/dbraw/zinc/60/11/77/1134601177.db2.gz PXSXTLUMAFLWAD-HNNXBMFYSA-N 1 2 333.505 3.655 20 0 EHADLO CCC[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000121368409 1134601179 /nfs/dbraw/zinc/60/11/79/1134601179.db2.gz PXSXTLUMAFLWAD-HNNXBMFYSA-N 1 2 333.505 3.655 20 0 EHADLO CCCCc1ccc(C(=O)CCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791754558 1134602109 /nfs/dbraw/zinc/60/21/09/1134602109.db2.gz NABVLEVLWOLAGQ-UHFFFAOYSA-N 1 2 340.423 3.713 20 0 EHADLO COCCCC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000791906388 1134624363 /nfs/dbraw/zinc/62/43/63/1134624363.db2.gz OPKRKLLBEJFOQL-KRWDZBQOSA-N 1 2 337.423 3.622 20 0 EHADLO Nc1cc(COC(=O)CCc2nc3cc(Cl)ccc3s2)cc[nH+]1 ZINC000791871281 1134625751 /nfs/dbraw/zinc/62/57/51/1134625751.db2.gz SZUSZNXGPVHQFA-UHFFFAOYSA-N 1 2 347.827 3.603 20 0 EHADLO C[C@H]1CCC[C@H](OCCCCCC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792084508 1134652772 /nfs/dbraw/zinc/65/27/72/1134652772.db2.gz JADKHHOIWPDDDD-RDJZCZTQSA-N 1 2 334.460 3.863 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCc4cc(C)ccc4C3)cc12 ZINC000792181565 1134664277 /nfs/dbraw/zinc/66/42/77/1134664277.db2.gz QZAMQJOWGWPQPA-UHFFFAOYSA-N 1 2 340.858 3.797 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCc4cc(C)ccc4C3)cc12 ZINC000792181565 1134664279 /nfs/dbraw/zinc/66/42/79/1134664279.db2.gz QZAMQJOWGWPQPA-UHFFFAOYSA-N 1 2 340.858 3.797 20 0 EHADLO CC(C)NC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001190392069 1134689983 /nfs/dbraw/zinc/68/99/83/1134689983.db2.gz KQAYPMJMIZOYEU-OAHLLOKOSA-N 1 2 344.286 3.838 20 0 EHADLO CC(C)NC(=O)NCC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001190392069 1134689987 /nfs/dbraw/zinc/68/99/87/1134689987.db2.gz KQAYPMJMIZOYEU-OAHLLOKOSA-N 1 2 344.286 3.838 20 0 EHADLO CSCC[C@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OC(C)C ZINC001170261388 1134726773 /nfs/dbraw/zinc/72/67/73/1134726773.db2.gz RIQICMXUWXCOAZ-BBRMVZONSA-N 1 2 343.920 3.934 20 0 EHADLO C[C@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC001170287847 1134742968 /nfs/dbraw/zinc/74/29/68/1134742968.db2.gz JOCLNSOYTQWBRK-OAHLLOKOSA-N 1 2 336.907 3.851 20 0 EHADLO O=C(C[N@@H+]1CCOCC12CCCCC2)Nc1ccc2ccccc2c1 ZINC001170308054 1134752968 /nfs/dbraw/zinc/75/29/68/1134752968.db2.gz MEZMXYZHKKXLQJ-UHFFFAOYSA-N 1 2 338.451 3.813 20 0 EHADLO O=C(C[N@H+]1CCOCC12CCCCC2)Nc1ccc2ccccc2c1 ZINC001170308054 1134752970 /nfs/dbraw/zinc/75/29/70/1134752970.db2.gz MEZMXYZHKKXLQJ-UHFFFAOYSA-N 1 2 338.451 3.813 20 0 EHADLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000792811784 1134794192 /nfs/dbraw/zinc/79/41/92/1134794192.db2.gz RTDCOKVJKRUFFP-INIZCTEOSA-N 1 2 336.391 3.561 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000792856889 1134799772 /nfs/dbraw/zinc/79/97/72/1134799772.db2.gz BDRDVRGRINYCPR-KRWDZBQOSA-N 1 2 340.471 3.840 20 0 EHADLO CC[C@H](C)CC[C@@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793136699 1134860426 /nfs/dbraw/zinc/86/04/26/1134860426.db2.gz HVQKXVNMCYFHNI-DZGCQCFKSA-N 1 2 333.407 3.527 20 0 EHADLO Cc1ccc(F)cc1NC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001191410346 1134862396 /nfs/dbraw/zinc/86/23/96/1134862396.db2.gz AWOFZFHDJJNWDQ-UHFFFAOYSA-N 1 2 343.402 3.610 20 0 EHADLO Cc1ccc(F)cc1NC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001191436046 1134866729 /nfs/dbraw/zinc/86/67/29/1134866729.db2.gz FTTKCASGCLJCDV-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO CSc1cc(C(=O)OCCc2c[nH+]cn2C)c(Cl)cc1Cl ZINC000793243943 1134887097 /nfs/dbraw/zinc/88/70/97/1134887097.db2.gz XYXGAKXVHPLKBL-UHFFFAOYSA-N 1 2 345.251 3.848 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCc1c[nH+]cn1C ZINC000793249007 1134889121 /nfs/dbraw/zinc/88/91/21/1134889121.db2.gz BTFYFQBGFAWCBK-LLVKDONJSA-N 1 2 341.238 3.691 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C(C)C ZINC001191664185 1134901173 /nfs/dbraw/zinc/90/11/73/1134901173.db2.gz NQINHZALLOCIPP-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C(C)C ZINC001191664185 1134901179 /nfs/dbraw/zinc/90/11/79/1134901179.db2.gz NQINHZALLOCIPP-UHFFFAOYSA-N 1 2 345.414 3.788 20 0 EHADLO CCc1nc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)co1 ZINC000793391165 1134922175 /nfs/dbraw/zinc/92/21/75/1134922175.db2.gz MQHDOPFHAACMCG-UHFFFAOYSA-N 1 2 337.379 3.656 20 0 EHADLO O=C(c1cncc(-c2cccs2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001191824799 1134931270 /nfs/dbraw/zinc/93/12/70/1134931270.db2.gz WUUNFRNLVIXRDO-CYBMUJFWSA-N 1 2 338.436 3.553 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCSC1CCCCC1 ZINC001191976703 1134954315 /nfs/dbraw/zinc/95/43/15/1134954315.db2.gz ILHOWZKKDIBENH-SFHVURJKSA-N 1 2 333.497 3.825 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCSC1CCCCC1 ZINC001191976703 1134954322 /nfs/dbraw/zinc/95/43/22/1134954322.db2.gz ILHOWZKKDIBENH-SFHVURJKSA-N 1 2 333.497 3.825 20 0 EHADLO Cc1ccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c(N(C)C)[nH+]1 ZINC001152013043 1134985320 /nfs/dbraw/zinc/98/53/20/1134985320.db2.gz LBGHFMIEDWASIT-UHFFFAOYSA-N 1 2 339.226 3.597 20 0 EHADLO COc1ccccc1-c1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001192308279 1134996112 /nfs/dbraw/zinc/99/61/12/1134996112.db2.gz HMIPGCQPKDFSBF-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC000793968669 1135008410 /nfs/dbraw/zinc/00/84/10/1135008410.db2.gz WVGMZKBVPVCNPT-KRWDZBQOSA-N 1 2 337.483 3.993 20 0 EHADLO O=C(C[C@@H]1CCCOC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000793974355 1135009514 /nfs/dbraw/zinc/00/95/14/1135009514.db2.gz ZEQAYBGHTJHVFU-HNNXBMFYSA-N 1 2 339.439 3.642 20 0 EHADLO COc1ccc(OC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000775530918 1135018823 /nfs/dbraw/zinc/01/88/23/1135018823.db2.gz DCVGUQFDAZDYLM-IBGZPJMESA-N 1 2 325.408 3.655 20 0 EHADLO COc1ccc(OC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000775530918 1135018830 /nfs/dbraw/zinc/01/88/30/1135018830.db2.gz DCVGUQFDAZDYLM-IBGZPJMESA-N 1 2 325.408 3.655 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000747175377 1135018847 /nfs/dbraw/zinc/01/88/47/1135018847.db2.gz ZYOJWBDDKLELHC-CLFYSBASSA-N 1 2 341.411 3.915 20 0 EHADLO O=C(Nc1ccc2sccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001192444641 1135019872 /nfs/dbraw/zinc/01/98/72/1135019872.db2.gz LJHTUJRYKNCAOM-MRXNPFEDSA-N 1 2 339.420 3.982 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)c(OC)cc1C)C2 ZINC001203759251 1135029289 /nfs/dbraw/zinc/02/92/89/1135029289.db2.gz ZSRFRCXQKIZSMJ-UHFFFAOYSA-N 1 2 325.408 3.614 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)c(OC)cc1C)C2 ZINC001203759251 1135029294 /nfs/dbraw/zinc/02/92/94/1135029294.db2.gz ZSRFRCXQKIZSMJ-UHFFFAOYSA-N 1 2 325.408 3.614 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001193028250 1135091558 /nfs/dbraw/zinc/09/15/58/1135091558.db2.gz QODGWXVQSGYPFQ-JKSUJKDBSA-N 1 2 335.467 3.620 20 0 EHADLO CCCC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001193028250 1135091565 /nfs/dbraw/zinc/09/15/65/1135091565.db2.gz QODGWXVQSGYPFQ-JKSUJKDBSA-N 1 2 335.467 3.620 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)OCc3cnc4ccc(C)cc4c3)ccn12 ZINC001129542239 1135100634 /nfs/dbraw/zinc/10/06/34/1135100634.db2.gz PYPMUTZXWKVMEW-UHFFFAOYSA-N 1 2 331.375 3.856 20 0 EHADLO c1coc(C[N@@H+](Cc2cn(Cc3ccccc3)nn2)C2CCCC2)c1 ZINC000775570528 1135104253 /nfs/dbraw/zinc/10/42/53/1135104253.db2.gz LZRAXBWNPGDSAE-UHFFFAOYSA-N 1 2 336.439 3.864 20 0 EHADLO c1coc(C[N@H+](Cc2cn(Cc3ccccc3)nn2)C2CCCC2)c1 ZINC000775570528 1135104257 /nfs/dbraw/zinc/10/42/57/1135104257.db2.gz LZRAXBWNPGDSAE-UHFFFAOYSA-N 1 2 336.439 3.864 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000775570920 1135104428 /nfs/dbraw/zinc/10/44/28/1135104428.db2.gz UWHHKWBHJABZFT-NEPJUHHUSA-N 1 2 328.815 3.751 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000775570920 1135104431 /nfs/dbraw/zinc/10/44/31/1135104431.db2.gz UWHHKWBHJABZFT-NEPJUHHUSA-N 1 2 328.815 3.751 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc2ccccc21 ZINC001193209820 1135114775 /nfs/dbraw/zinc/11/47/75/1135114775.db2.gz ISJGFTPKXBNNHD-IBGZPJMESA-N 1 2 343.467 3.927 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc2ccccc21 ZINC001193209820 1135114778 /nfs/dbraw/zinc/11/47/78/1135114778.db2.gz ISJGFTPKXBNNHD-IBGZPJMESA-N 1 2 343.467 3.927 20 0 EHADLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C2 ZINC001193293000 1135122985 /nfs/dbraw/zinc/12/29/85/1135122985.db2.gz DYGPIJQLLMPODX-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C2 ZINC001193293000 1135122986 /nfs/dbraw/zinc/12/29/86/1135122986.db2.gz DYGPIJQLLMPODX-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO CC(C)(CC1CCOCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000158743920 1135156122 /nfs/dbraw/zinc/15/61/22/1135156122.db2.gz HIJDQAVFGIRIRJ-UHFFFAOYSA-N 1 2 341.455 3.713 20 0 EHADLO CC(C)CN1CC[N@H+](Cc2ccc(-c3ccsc3)cc2)CC1=O ZINC001193625766 1135161665 /nfs/dbraw/zinc/16/16/65/1135161665.db2.gz CTSAFENJJNIRHZ-UHFFFAOYSA-N 1 2 328.481 3.715 20 0 EHADLO CC(C)CN1CC[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC1=O ZINC001193625766 1135161666 /nfs/dbraw/zinc/16/16/66/1135161666.db2.gz CTSAFENJJNIRHZ-UHFFFAOYSA-N 1 2 328.481 3.715 20 0 EHADLO CCCCCOC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001193790118 1135181269 /nfs/dbraw/zinc/18/12/69/1135181269.db2.gz FQKIVRATYDIWCZ-UHFFFAOYSA-N 1 2 340.414 3.846 20 0 EHADLO COC(=O)N1CCC(CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000804821881 1135203592 /nfs/dbraw/zinc/20/35/92/1135203592.db2.gz OMJNNAHHAMEZGX-UHFFFAOYSA-N 1 2 333.819 3.779 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000805016802 1135224542 /nfs/dbraw/zinc/22/45/42/1135224542.db2.gz VWBHGHSMKBZKHR-UTKZUKDTSA-N 1 2 349.478 3.795 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC001194205645 1135243854 /nfs/dbraw/zinc/24/38/54/1135243854.db2.gz XWUYWXVRRABHKN-UHFFFAOYSA-N 1 2 345.443 3.747 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3cnn([C@H](C)c4ccccc4)c3)ccn12 ZINC001130222392 1135280078 /nfs/dbraw/zinc/28/00/78/1135280078.db2.gz HBDHINGBXYRVTN-OAHLLOKOSA-N 1 2 345.406 3.701 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)CO1 ZINC000775609247 1135314003 /nfs/dbraw/zinc/31/40/03/1135314003.db2.gz UGIVRZZQVDKHNX-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@@H](c2ccccc2)CO1 ZINC000775609247 1135314006 /nfs/dbraw/zinc/31/40/06/1135314006.db2.gz UGIVRZZQVDKHNX-ZNOIYHFQSA-N 1 2 349.833 3.975 20 0 EHADLO O[C@@H](C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781508 1135325957 /nfs/dbraw/zinc/32/59/57/1135325957.db2.gz SHJIUEFGVLXAPV-IRXDYDNUSA-N 1 2 345.418 3.737 20 0 EHADLO O[C@@H](C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cccc(F)c1 ZINC000805781508 1135325962 /nfs/dbraw/zinc/32/59/62/1135325962.db2.gz SHJIUEFGVLXAPV-IRXDYDNUSA-N 1 2 345.418 3.737 20 0 EHADLO Cc1cc(=O)oc2cc(N(C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc12 ZINC000805769763 1135331966 /nfs/dbraw/zinc/33/19/66/1135331966.db2.gz UDGDAICTYKRYQQ-UHFFFAOYSA-N 1 2 345.402 3.924 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC(C)(C)c2cccc(F)c2)c1 ZINC001194917749 1135339912 /nfs/dbraw/zinc/33/99/12/1135339912.db2.gz QNIPWCNRPWPVDS-UHFFFAOYSA-N 1 2 337.398 3.891 20 0 EHADLO C[N@H+](CCC1CCCCC1)Cn1ncn(CC(F)(F)F)c1=S ZINC000101539057 1135349509 /nfs/dbraw/zinc/34/95/09/1135349509.db2.gz KAFCVIDTBFKNRV-UHFFFAOYSA-N 1 2 336.427 3.836 20 0 EHADLO C[N@@H+](CCC1CCCCC1)Cn1ncn(CC(F)(F)F)c1=S ZINC000101539057 1135349511 /nfs/dbraw/zinc/34/95/11/1135349511.db2.gz KAFCVIDTBFKNRV-UHFFFAOYSA-N 1 2 336.427 3.836 20 0 EHADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCc1cccc3c1OC(F)(F)O3)C2 ZINC001195066872 1135362578 /nfs/dbraw/zinc/36/25/78/1135362578.db2.gz XVIOAQDYRLXBPX-UHFFFAOYSA-N 1 2 345.345 3.769 20 0 EHADLO CC(=O)c1ccc2c(c1)C[N@H+](CCc1cccc3c1OC(F)(F)O3)C2 ZINC001195066872 1135362581 /nfs/dbraw/zinc/36/25/81/1135362581.db2.gz XVIOAQDYRLXBPX-UHFFFAOYSA-N 1 2 345.345 3.769 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)no1 ZINC000806160754 1135404026 /nfs/dbraw/zinc/40/40/26/1135404026.db2.gz KHLWLVYIPLAPGB-CQSZACIVSA-N 1 2 335.835 3.815 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001195301123 1135409138 /nfs/dbraw/zinc/40/91/38/1135409138.db2.gz YBFQAYOWLCKNTQ-DZGCQCFKSA-N 1 2 329.362 3.955 20 0 EHADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001195301123 1135409139 /nfs/dbraw/zinc/40/91/39/1135409139.db2.gz YBFQAYOWLCKNTQ-DZGCQCFKSA-N 1 2 329.362 3.955 20 0 EHADLO CC(C)c1nc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cs1 ZINC000079920105 1135421906 /nfs/dbraw/zinc/42/19/06/1135421906.db2.gz VELQKEYMJHAZPX-UHFFFAOYSA-N 1 2 330.501 3.942 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC001195843210 1135480242 /nfs/dbraw/zinc/48/02/42/1135480242.db2.gz JROUHXJTPTULJO-IBGZPJMESA-N 1 2 331.435 3.961 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC001195843210 1135480245 /nfs/dbraw/zinc/48/02/45/1135480245.db2.gz JROUHXJTPTULJO-IBGZPJMESA-N 1 2 331.435 3.961 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2)[nH+]1 ZINC001195903115 1135488546 /nfs/dbraw/zinc/48/85/46/1135488546.db2.gz IRVDOELHTUJIJQ-UHFFFAOYSA-N 1 2 344.418 3.839 20 0 EHADLO Cc1cccnc1C[NH+]1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001205763275 1135530671 /nfs/dbraw/zinc/53/06/71/1135530671.db2.gz RXYKVRQEVYZPGJ-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1F ZINC001196563060 1135576292 /nfs/dbraw/zinc/57/62/92/1135576292.db2.gz IUSRJBRUDNPTED-IBGZPJMESA-N 1 2 349.833 3.786 20 0 EHADLO Cc1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1F ZINC001196640036 1135592459 /nfs/dbraw/zinc/59/24/59/1135592459.db2.gz ROKXZQLUWJRGEO-UHFFFAOYSA-N 1 2 337.442 3.933 20 0 EHADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CCCSC ZINC001196748210 1135607575 /nfs/dbraw/zinc/60/75/75/1135607575.db2.gz XCAQESYMFBJEQU-GOSISDBHSA-N 1 2 331.481 3.657 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cn1cc(C(C)C)n(C)c1=S)CC2 ZINC000747452919 1135609990 /nfs/dbraw/zinc/60/99/90/1135609990.db2.gz BMVQRFDTXRMNSA-UHFFFAOYSA-N 1 2 331.485 3.704 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cn1cc(C(C)C)n(C)c1=S)CC2 ZINC000747452919 1135609991 /nfs/dbraw/zinc/60/99/91/1135609991.db2.gz BMVQRFDTXRMNSA-UHFFFAOYSA-N 1 2 331.485 3.704 20 0 EHADLO COc1ccc(C[N@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc1F ZINC000747455120 1135611503 /nfs/dbraw/zinc/61/15/03/1135611503.db2.gz XCNMQTDLPIZLTP-UHFFFAOYSA-N 1 2 337.464 3.917 20 0 EHADLO COc1ccc(C[N@@H+](C)Cn2cc(C(C)C)n(C)c2=S)cc1F ZINC000747455120 1135611507 /nfs/dbraw/zinc/61/15/07/1135611507.db2.gz XCNMQTDLPIZLTP-UHFFFAOYSA-N 1 2 337.464 3.917 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808149100 1135623908 /nfs/dbraw/zinc/62/39/08/1135623908.db2.gz IDCNWSNNDSVQEG-UHFFFAOYSA-N 1 2 349.784 3.814 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808149100 1135623912 /nfs/dbraw/zinc/62/39/12/1135623912.db2.gz IDCNWSNNDSVQEG-UHFFFAOYSA-N 1 2 349.784 3.814 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001196861889 1135624429 /nfs/dbraw/zinc/62/44/29/1135624429.db2.gz UKYYUFTWCXUIPL-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001196861889 1135624431 /nfs/dbraw/zinc/62/44/31/1135624431.db2.gz UKYYUFTWCXUIPL-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433396 1135625499 /nfs/dbraw/zinc/62/54/99/1135625499.db2.gz QOVSZJGBIUIXGO-QAPCUYQASA-N 1 2 330.472 3.842 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433396 1135625501 /nfs/dbraw/zinc/62/55/01/1135625501.db2.gz QOVSZJGBIUIXGO-QAPCUYQASA-N 1 2 330.472 3.842 20 0 EHADLO O=C1N(C[N@@H+]2CCc3ccsc3C2)CCN1c1ccc(Cl)cc1 ZINC000808175476 1135625857 /nfs/dbraw/zinc/62/58/57/1135625857.db2.gz VWWHGQIKCHXTTD-UHFFFAOYSA-N 1 2 347.871 3.659 20 0 EHADLO O=C1N(C[N@H+]2CCc3ccsc3C2)CCN1c1ccc(Cl)cc1 ZINC000808175476 1135625863 /nfs/dbraw/zinc/62/58/63/1135625863.db2.gz VWWHGQIKCHXTTD-UHFFFAOYSA-N 1 2 347.871 3.659 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000808167919 1135629726 /nfs/dbraw/zinc/62/97/26/1135629726.db2.gz GDPJVZWRUXZQTF-MRXNPFEDSA-N 1 2 344.377 3.623 20 0 EHADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000808167919 1135629727 /nfs/dbraw/zinc/62/97/27/1135629727.db2.gz GDPJVZWRUXZQTF-MRXNPFEDSA-N 1 2 344.377 3.623 20 0 EHADLO CCCCCC[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001197531356 1135699408 /nfs/dbraw/zinc/69/94/08/1135699408.db2.gz DEIYMKFLGOGVBQ-HNNXBMFYSA-N 1 2 347.377 3.839 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001131383164 1135700547 /nfs/dbraw/zinc/70/05/47/1135700547.db2.gz WHSNXCUDOSDEJV-GOSISDBHSA-N 1 2 337.398 3.603 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000808762430 1135729521 /nfs/dbraw/zinc/72/95/21/1135729521.db2.gz ZYGBOHPRFRNKMH-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000808762430 1135729524 /nfs/dbraw/zinc/72/95/24/1135729524.db2.gz ZYGBOHPRFRNKMH-LJQANCHMSA-N 1 2 327.424 3.822 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001197777358 1135736226 /nfs/dbraw/zinc/73/62/26/1135736226.db2.gz IQDOWLDBYCHFGA-CYBMUJFWSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001197777358 1135736231 /nfs/dbraw/zinc/73/62/31/1135736231.db2.gz IQDOWLDBYCHFGA-CYBMUJFWSA-N 1 2 342.842 3.968 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccnc(Cl)c1C(F)(F)F ZINC001197788149 1135737629 /nfs/dbraw/zinc/73/76/29/1135737629.db2.gz RJMUVTUCHSAEGD-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO O=C(CC[N@@H+](CC(F)F)C1CCC1)Nc1ccc(Cl)cc1F ZINC001197836915 1135740297 /nfs/dbraw/zinc/74/02/97/1135740297.db2.gz HQDZSZSWRSJMSI-UHFFFAOYSA-N 1 2 334.769 3.927 20 0 EHADLO O=C(CC[N@H+](CC(F)F)C1CCC1)Nc1ccc(Cl)cc1F ZINC001197836915 1135740300 /nfs/dbraw/zinc/74/03/00/1135740300.db2.gz HQDZSZSWRSJMSI-UHFFFAOYSA-N 1 2 334.769 3.927 20 0 EHADLO Cc1ccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001197924622 1135750745 /nfs/dbraw/zinc/75/07/45/1135750745.db2.gz CACAUHFYNLMVAR-QGZVFWFLSA-N 1 2 327.453 3.630 20 0 EHADLO CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@H+](Cc1cccc3ccccc31)C2 ZINC001197911999 1135754876 /nfs/dbraw/zinc/75/48/76/1135754876.db2.gz SNOUNXONLNGUNL-OAHLLOKOSA-N 1 2 349.434 3.617 20 0 EHADLO CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@@H+](Cc1cccc3ccccc31)C2 ZINC001197911999 1135754878 /nfs/dbraw/zinc/75/48/78/1135754878.db2.gz SNOUNXONLNGUNL-OAHLLOKOSA-N 1 2 349.434 3.617 20 0 EHADLO Cc1sc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC001131516686 1135761215 /nfs/dbraw/zinc/76/12/15/1135761215.db2.gz SRTOCLQZWNNWKO-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO Cc1cnc(C[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)s1 ZINC001197979027 1135763436 /nfs/dbraw/zinc/76/34/36/1135763436.db2.gz OLUVRFVMLLUIFM-UHFFFAOYSA-N 1 2 327.494 3.529 20 0 EHADLO Cc1cnc(C[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)s1 ZINC001197979027 1135763440 /nfs/dbraw/zinc/76/34/40/1135763440.db2.gz OLUVRFVMLLUIFM-UHFFFAOYSA-N 1 2 327.494 3.529 20 0 EHADLO COCc1ccc([C@H]2COCC[N@@H+]2CCc2ccc(Cl)cc2)o1 ZINC001197989196 1135763972 /nfs/dbraw/zinc/76/39/72/1135763972.db2.gz KVFUCSBBXVQEKV-QGZVFWFLSA-N 1 2 335.831 3.695 20 0 EHADLO COCc1ccc([C@H]2COCC[N@H+]2CCc2ccc(Cl)cc2)o1 ZINC001197989196 1135763976 /nfs/dbraw/zinc/76/39/76/1135763976.db2.gz KVFUCSBBXVQEKV-QGZVFWFLSA-N 1 2 335.831 3.695 20 0 EHADLO CC(C)(C)c1ccc(NC(=S)NC2CN(c3cccc[nH+]3)C2)cc1 ZINC001198502644 1135824450 /nfs/dbraw/zinc/82/44/50/1135824450.db2.gz VAVXZDZAZZLYBP-UHFFFAOYSA-N 1 2 340.496 3.554 20 0 EHADLO Cc1nonc1C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000775871168 1135833446 /nfs/dbraw/zinc/83/34/46/1135833446.db2.gz GPGKHKDKLFRHCJ-AWEZNQCLSA-N 1 2 340.196 3.521 20 0 EHADLO CCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC(C)(C)C ZINC001170579587 1135838320 /nfs/dbraw/zinc/83/83/20/1135838320.db2.gz VGMZBJJTUQVQLR-HOTGVXAUSA-N 1 2 343.508 3.989 20 0 EHADLO Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001198625046 1135840242 /nfs/dbraw/zinc/84/02/42/1135840242.db2.gz LXUWDDLAAPBRIA-UHFFFAOYSA-N 1 2 347.374 3.944 20 0 EHADLO Cc1cccc(NC(=S)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001198682273 1135847086 /nfs/dbraw/zinc/84/70/86/1135847086.db2.gz MLRLMKNXDBKYGP-UHFFFAOYSA-N 1 2 341.480 3.636 20 0 EHADLO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2nc(C)sc2C)n1C ZINC001198721176 1135847867 /nfs/dbraw/zinc/84/78/67/1135847867.db2.gz VOYAEWKUHFFWIW-MRXNPFEDSA-N 1 2 347.484 3.612 20 0 EHADLO COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2nc(C)sc2C)n1C ZINC001198721176 1135847872 /nfs/dbraw/zinc/84/78/72/1135847872.db2.gz VOYAEWKUHFFWIW-MRXNPFEDSA-N 1 2 347.484 3.612 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000809656092 1135866558 /nfs/dbraw/zinc/86/65/58/1135866558.db2.gz WLIDTSLIXXXMAI-HNNXBMFYSA-N 1 2 338.245 3.892 20 0 EHADLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(CC)s1 ZINC000809690660 1135872519 /nfs/dbraw/zinc/87/25/19/1135872519.db2.gz BQPPAJBJLIQAPK-AWEZNQCLSA-N 1 2 339.505 3.586 20 0 EHADLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(CC)s1 ZINC000809690660 1135872523 /nfs/dbraw/zinc/87/25/23/1135872523.db2.gz BQPPAJBJLIQAPK-AWEZNQCLSA-N 1 2 339.505 3.586 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC001199127351 1135881676 /nfs/dbraw/zinc/88/16/76/1135881676.db2.gz ZMQBMEZQDHLJBU-IBGZPJMESA-N 1 2 334.398 3.920 20 0 EHADLO Cc1nonc1C[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000809743103 1135883971 /nfs/dbraw/zinc/88/39/71/1135883971.db2.gz QVPWOTXAUOSAEJ-UHFFFAOYSA-N 1 2 337.423 3.679 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000809779575 1135889529 /nfs/dbraw/zinc/88/95/29/1135889529.db2.gz SKVASOHCVFJWMM-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000809779575 1135889532 /nfs/dbraw/zinc/88/95/32/1135889532.db2.gz SKVASOHCVFJWMM-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000810046106 1135915295 /nfs/dbraw/zinc/91/52/95/1135915295.db2.gz GGPNDDDTZOASOS-CYBMUJFWSA-N 1 2 348.418 3.878 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)n1 ZINC001199700744 1135924601 /nfs/dbraw/zinc/92/46/01/1135924601.db2.gz ARORJHXADLNJDA-UHFFFAOYSA-N 1 2 332.835 3.532 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810228440 1135941424 /nfs/dbraw/zinc/94/14/24/1135941424.db2.gz VEHFVBLQOLRBPM-GFCCVEGCSA-N 1 2 328.803 3.740 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000810240003 1135946797 /nfs/dbraw/zinc/94/67/97/1135946797.db2.gz LWYNFAFTMWZLKJ-LBPRGKRZSA-N 1 2 328.366 3.611 20 0 EHADLO Cc1ccc[nH+]c1N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC001170609840 1135974039 /nfs/dbraw/zinc/97/40/39/1135974039.db2.gz LSNUICIPZWNWOV-FQEVSTJZSA-N 1 2 342.402 3.618 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CCc2ccccc21 ZINC000810550528 1135975951 /nfs/dbraw/zinc/97/59/51/1135975951.db2.gz ZBNMYEBKUQAVFO-HXUWFJFHSA-N 1 2 332.403 3.705 20 0 EHADLO C[C@@H]1CC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000810590148 1135979501 /nfs/dbraw/zinc/97/95/01/1135979501.db2.gz FDYYUCLNKACHLT-GJYPPUQNSA-N 1 2 326.440 3.842 20 0 EHADLO C[C@@H]1CCC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C ZINC000810659949 1135995125 /nfs/dbraw/zinc/99/51/25/1135995125.db2.gz BKXQPMWACXOPQO-GJYPPUQNSA-N 1 2 326.440 3.842 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccccc3Br)no2)c[nH+]1 ZINC001201278719 1136003387 /nfs/dbraw/zinc/00/33/87/1136003387.db2.gz LIXWTJLQWVSJIU-UHFFFAOYSA-N 1 2 331.173 3.825 20 0 EHADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(Cc2ccccc2C(F)(F)F)n1 ZINC001201279222 1136003783 /nfs/dbraw/zinc/00/37/83/1136003783.db2.gz MGMROEKZASOEPZ-UHFFFAOYSA-N 1 2 347.344 3.979 20 0 EHADLO Cc1cc([C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)no1 ZINC000810793666 1136008784 /nfs/dbraw/zinc/00/87/84/1136008784.db2.gz KMMXFLSVORYRHM-MAUKXSAKSA-N 1 2 328.412 3.642 20 0 EHADLO Cc1cc([C@H](C)OC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)no1 ZINC000810793666 1136008788 /nfs/dbraw/zinc/00/87/88/1136008788.db2.gz KMMXFLSVORYRHM-MAUKXSAKSA-N 1 2 328.412 3.642 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001132621722 1136047176 /nfs/dbraw/zinc/04/71/76/1136047176.db2.gz IUYOTGMKZPFEDY-IFXJQAMLSA-N 1 2 342.870 3.822 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001132621722 1136047179 /nfs/dbraw/zinc/04/71/79/1136047179.db2.gz IUYOTGMKZPFEDY-IFXJQAMLSA-N 1 2 342.870 3.822 20 0 EHADLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC001201618325 1136047676 /nfs/dbraw/zinc/04/76/76/1136047676.db2.gz OYDCRMAUYMBBEH-KRWDZBQOSA-N 1 2 341.455 3.793 20 0 EHADLO Nc1cc(COC(=O)C2(Cc3cccs3)CCCCC2)cc[nH+]1 ZINC000811398291 1136082290 /nfs/dbraw/zinc/08/22/90/1136082290.db2.gz FSLFOFFJSCZUGO-UHFFFAOYSA-N 1 2 330.453 3.962 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811456928 1136089383 /nfs/dbraw/zinc/08/93/83/1136089383.db2.gz XGJIERIKPZRHCD-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811456928 1136089387 /nfs/dbraw/zinc/08/93/87/1136089387.db2.gz XGJIERIKPZRHCD-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000794441216 1136099890 /nfs/dbraw/zinc/09/98/90/1136099890.db2.gz APJUVCURFQZWFH-IUODEOHRSA-N 1 2 339.266 3.775 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000794441216 1136099893 /nfs/dbraw/zinc/09/98/93/1136099893.db2.gz APJUVCURFQZWFH-IUODEOHRSA-N 1 2 339.266 3.775 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2c(C)cccc2C)CC1 ZINC001202197211 1136109480 /nfs/dbraw/zinc/10/94/80/1136109480.db2.gz BXJNXNJWKHUVBU-UHFFFAOYSA-N 1 2 338.455 3.778 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)CC3CCCCC3)c(=O)cc2C)cc1 ZINC000811729251 1136131673 /nfs/dbraw/zinc/13/16/73/1136131673.db2.gz MPGPMPRATJIPHV-UHFFFAOYSA-N 1 2 339.483 3.997 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)CC3CCCCC3)c(=O)cc2C)cc1 ZINC000811729251 1136131674 /nfs/dbraw/zinc/13/16/74/1136131674.db2.gz MPGPMPRATJIPHV-UHFFFAOYSA-N 1 2 339.483 3.997 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@H](C)C3(C)CC3)c(=O)cc2C)cc1 ZINC000811755312 1136136063 /nfs/dbraw/zinc/13/60/63/1136136063.db2.gz ODVBXZXEFOLFBL-MRXNPFEDSA-N 1 2 325.456 3.605 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@H](C)C3(C)CC3)c(=O)cc2C)cc1 ZINC000811755312 1136136064 /nfs/dbraw/zinc/13/60/64/1136136064.db2.gz ODVBXZXEFOLFBL-MRXNPFEDSA-N 1 2 325.456 3.605 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1F ZINC001133033107 1136146258 /nfs/dbraw/zinc/14/62/58/1136146258.db2.gz QFSWALYCQMAGAI-DNVCBOLYSA-N 1 2 337.398 3.683 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cscc1Cl ZINC001133290237 1136207455 /nfs/dbraw/zinc/20/74/55/1136207455.db2.gz VTLGBBRIFHPSPF-UHFFFAOYSA-N 1 2 341.770 3.977 20 0 EHADLO CCC1(C(=O)OCc2cc[nH+]c(N(C)C)c2)CCC(F)(F)CC1 ZINC000850088507 1136208671 /nfs/dbraw/zinc/20/86/71/1136208671.db2.gz YVAHEVJJCWNTJT-UHFFFAOYSA-N 1 2 326.387 3.797 20 0 EHADLO Cc1[nH]c(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)[nH+]c1C ZINC000850208199 1136220895 /nfs/dbraw/zinc/22/08/95/1136220895.db2.gz GBMDCCQHYDFQGZ-AWEZNQCLSA-N 1 2 335.835 3.850 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000812931109 1136272503 /nfs/dbraw/zinc/27/25/03/1136272503.db2.gz HGOZNKCZRKJCRR-UHFFFAOYSA-N 1 2 344.802 3.892 20 0 EHADLO CC(C)Cc1coc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC001133922217 1136362616 /nfs/dbraw/zinc/36/26/16/1136362616.db2.gz LWDUPNMYHCMHCO-HNNXBMFYSA-N 1 2 335.835 3.768 20 0 EHADLO C[C@H](O)C[N@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000776521524 1136363131 /nfs/dbraw/zinc/36/31/31/1136363131.db2.gz RKEWLZXLPJGNJT-ZDUSSCGKSA-N 1 2 335.879 3.636 20 0 EHADLO C[C@H](O)C[N@@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000776521524 1136363136 /nfs/dbraw/zinc/36/31/36/1136363136.db2.gz RKEWLZXLPJGNJT-ZDUSSCGKSA-N 1 2 335.879 3.636 20 0 EHADLO CCSCc1cc[nH+]c(NCc2cc(C(=O)OC)c(CC)o2)c1 ZINC000338935454 1136367775 /nfs/dbraw/zinc/36/77/75/1136367775.db2.gz OCVDHIFETYRYSM-UHFFFAOYSA-N 1 2 334.441 3.889 20 0 EHADLO O=C(/C=C\c1ccccc1F)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398260 1136375901 /nfs/dbraw/zinc/37/59/01/1136375901.db2.gz RNFJWJWCQVWPST-HJWRWDBZSA-N 1 2 340.398 3.694 20 0 EHADLO CCCCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069584 1136391980 /nfs/dbraw/zinc/39/19/80/1136391980.db2.gz MEXYDMUOTOLANZ-UHFFFAOYSA-N 1 2 330.432 3.664 20 0 EHADLO O=C(OC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814049632 1136394137 /nfs/dbraw/zinc/39/41/37/1136394137.db2.gz DIGNTIYYWYBOCC-UXHICEINSA-N 1 2 348.402 3.949 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851733622 1136402583 /nfs/dbraw/zinc/40/25/83/1136402583.db2.gz BAQZZLKRSYAINI-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO C[C@H](Nc1[nH+]cccc1CC(=O)OC(C)(C)C)c1cccc(N)c1 ZINC001170727360 1136404869 /nfs/dbraw/zinc/40/48/69/1136404869.db2.gz AMDDWMXPHYZTTJ-ZDUSSCGKSA-N 1 2 327.428 3.721 20 0 EHADLO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]Cc2cnon2)c1 ZINC000851902071 1136417652 /nfs/dbraw/zinc/41/76/52/1136417652.db2.gz GRIHDMHLAAMPKL-FQEVSTJZSA-N 1 2 337.423 3.769 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852127581 1136435389 /nfs/dbraw/zinc/43/53/89/1136435389.db2.gz VBEVKAQIEKGREX-WCQYABFASA-N 1 2 347.846 3.695 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852127581 1136435393 /nfs/dbraw/zinc/43/53/93/1136435393.db2.gz VBEVKAQIEKGREX-WCQYABFASA-N 1 2 347.846 3.695 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)OC ZINC000338941864 1136435838 /nfs/dbraw/zinc/43/58/38/1136435838.db2.gz DZTDBLUSTXSIOB-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)OC ZINC000338941864 1136435840 /nfs/dbraw/zinc/43/58/40/1136435840.db2.gz DZTDBLUSTXSIOB-LIRRHRJNSA-N 1 2 343.423 3.591 20 0 EHADLO C[N@H+](Cc1ncc(C(C)(C)C)o1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307978 1136447434 /nfs/dbraw/zinc/44/74/34/1136447434.db2.gz PQIADSBPYIKGSQ-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307978 1136447436 /nfs/dbraw/zinc/44/74/36/1136447436.db2.gz PQIADSBPYIKGSQ-UHFFFAOYSA-N 1 2 339.480 3.707 20 0 EHADLO CC(C)CC(=O)CC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852336823 1136450679 /nfs/dbraw/zinc/45/06/79/1136450679.db2.gz FSWHIFAPKOLKHD-UHFFFAOYSA-N 1 2 342.361 3.508 20 0 EHADLO CC(C)CC(=O)CC[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852336823 1136450681 /nfs/dbraw/zinc/45/06/81/1136450681.db2.gz FSWHIFAPKOLKHD-UHFFFAOYSA-N 1 2 342.361 3.508 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852344849 1136451004 /nfs/dbraw/zinc/45/10/04/1136451004.db2.gz SGFKZXGAXWCVEG-INIZCTEOSA-N 1 2 347.890 3.952 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852344849 1136451006 /nfs/dbraw/zinc/45/10/06/1136451006.db2.gz SGFKZXGAXWCVEG-INIZCTEOSA-N 1 2 347.890 3.952 20 0 EHADLO COCCCn1nccc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000338945541 1136454814 /nfs/dbraw/zinc/45/48/14/1136454814.db2.gz NYHJKWIFCAJIFT-UHFFFAOYSA-N 1 2 342.270 3.858 20 0 EHADLO COCCCn1nccc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000338945541 1136454815 /nfs/dbraw/zinc/45/48/15/1136454815.db2.gz NYHJKWIFCAJIFT-UHFFFAOYSA-N 1 2 342.270 3.858 20 0 EHADLO Cc1csc(C[N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000852599841 1136469769 /nfs/dbraw/zinc/46/97/69/1136469769.db2.gz UZCKUFKGWYUPTP-OCCSQVGLSA-N 1 2 339.505 3.577 20 0 EHADLO Cc1csc(C[N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000852599841 1136469770 /nfs/dbraw/zinc/46/97/70/1136469770.db2.gz UZCKUFKGWYUPTP-OCCSQVGLSA-N 1 2 339.505 3.577 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852635270 1136472609 /nfs/dbraw/zinc/47/26/09/1136472609.db2.gz FBWOUZRCERCVKD-CYBMUJFWSA-N 1 2 341.373 3.965 20 0 EHADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852635270 1136472610 /nfs/dbraw/zinc/47/26/10/1136472610.db2.gz FBWOUZRCERCVKD-CYBMUJFWSA-N 1 2 341.373 3.965 20 0 EHADLO CCOC(=O)c1csc(C[NH+]2CCC(c3cccc(F)c3)CC2)n1 ZINC000814626176 1136482328 /nfs/dbraw/zinc/48/23/28/1136482328.db2.gz YUJNNQLCUDKRCJ-UHFFFAOYSA-N 1 2 348.443 3.839 20 0 EHADLO C[C@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](CC(F)(F)F)O1 ZINC000852744099 1136482951 /nfs/dbraw/zinc/48/29/51/1136482951.db2.gz RXMKNZRHSJRRLF-IACUBPJLSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@H]1C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](CC(F)(F)F)O1 ZINC000852744099 1136482953 /nfs/dbraw/zinc/48/29/53/1136482953.db2.gz RXMKNZRHSJRRLF-IACUBPJLSA-N 1 2 343.345 3.508 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc2c(c1)CCCO2 ZINC000852780139 1136485767 /nfs/dbraw/zinc/48/57/67/1136485767.db2.gz HIRYPUXBFZXFCS-CYBMUJFWSA-N 1 2 327.428 3.903 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCCO2 ZINC000852781828 1136486248 /nfs/dbraw/zinc/48/62/48/1136486248.db2.gz GSPRLRAFTJSFIZ-GFCCVEGCSA-N 1 2 341.436 3.974 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2cccc(C)c2C)c(N(C)C)[nH+]1 ZINC000814678980 1136490067 /nfs/dbraw/zinc/49/00/67/1136490067.db2.gz YXFJHAILNWKIJV-UHFFFAOYSA-N 1 2 326.444 3.737 20 0 EHADLO CCSCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000814716844 1136498166 /nfs/dbraw/zinc/49/81/66/1136498166.db2.gz SSTRMVRIHXHZTG-NSHDSACASA-N 1 2 340.493 3.832 20 0 EHADLO CCCc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000747973202 1136501318 /nfs/dbraw/zinc/50/13/18/1136501318.db2.gz IZVRUSPYNCDCJI-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO CC[C@@H](C)C[N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000111165689 1136517473 /nfs/dbraw/zinc/51/74/73/1136517473.db2.gz RTRFSEFBXVAIMR-CYBMUJFWSA-N 1 2 331.489 3.746 20 0 EHADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000111165689 1136517475 /nfs/dbraw/zinc/51/74/75/1136517475.db2.gz RTRFSEFBXVAIMR-CYBMUJFWSA-N 1 2 331.489 3.746 20 0 EHADLO Cc1cccc(C2(O)CCN(c3[nH+]ccc4c(N)cccc43)CC2)c1C ZINC000853381524 1136529253 /nfs/dbraw/zinc/52/92/53/1136529253.db2.gz FCMQASHJJJAJLI-UHFFFAOYSA-N 1 2 347.462 3.922 20 0 EHADLO Cc1noc(C)c1CCCNc1nc(C)[nH+]c(C)c1Br ZINC000853432723 1136531885 /nfs/dbraw/zinc/53/18/85/1136531885.db2.gz HEHZBQZRZNPPQX-UHFFFAOYSA-N 1 2 339.237 3.505 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2cccs2)C2CC2)c1C ZINC000747986182 1136532349 /nfs/dbraw/zinc/53/23/49/1136532349.db2.gz YWWYAEWVZMMXLI-INIZCTEOSA-N 1 2 345.468 3.719 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562623 1136545031 /nfs/dbraw/zinc/54/50/31/1136545031.db2.gz BYMYNLODXMSRHY-RHSMWYFYSA-N 1 2 334.435 3.577 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562623 1136545035 /nfs/dbraw/zinc/54/50/35/1136545035.db2.gz BYMYNLODXMSRHY-RHSMWYFYSA-N 1 2 334.435 3.577 20 0 EHADLO COc1cccc(Nc2nn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)c1 ZINC000853581428 1136546323 /nfs/dbraw/zinc/54/63/23/1136546323.db2.gz UZKLHBOVBHJLQA-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO COc1cccc(Nc2nn(C[N@H+]3CC[C@H]4C[C@H]4C3)c(=S)s2)c1 ZINC000853581428 1136546324 /nfs/dbraw/zinc/54/63/24/1136546324.db2.gz UZKLHBOVBHJLQA-RYUDHWBXSA-N 1 2 348.497 3.726 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815070324 1136546574 /nfs/dbraw/zinc/54/65/74/1136546574.db2.gz SJPWLEMSXMPOIS-LEWJYISDSA-N 1 2 349.430 3.719 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815070324 1136546576 /nfs/dbraw/zinc/54/65/76/1136546576.db2.gz SJPWLEMSXMPOIS-LEWJYISDSA-N 1 2 349.430 3.719 20 0 EHADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116392 1136551513 /nfs/dbraw/zinc/55/15/13/1136551513.db2.gz KYQSCSMFQIOFDR-ZLIFDBKOSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815116392 1136551516 /nfs/dbraw/zinc/55/15/16/1136551516.db2.gz KYQSCSMFQIOFDR-ZLIFDBKOSA-N 1 2 339.357 3.525 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000815105045 1136557087 /nfs/dbraw/zinc/55/70/87/1136557087.db2.gz BECYWNPWZPUXEI-GOSISDBHSA-N 1 2 327.428 3.556 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000815105045 1136557089 /nfs/dbraw/zinc/55/70/89/1136557089.db2.gz BECYWNPWZPUXEI-GOSISDBHSA-N 1 2 327.428 3.556 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc(Br)cc1F ZINC000815140433 1136561115 /nfs/dbraw/zinc/56/11/15/1136561115.db2.gz WQMJKBMUMXMLEN-MRVPVSSYSA-N 1 2 346.631 3.826 20 0 EHADLO Fc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)ccc1Cl ZINC001137653217 1136599836 /nfs/dbraw/zinc/59/98/36/1136599836.db2.gz DFOSEYUDBVLLTB-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO C/C(=C\C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)(C)C ZINC000854411361 1136614266 /nfs/dbraw/zinc/61/42/66/1136614266.db2.gz PQLWKUQOZOQGNU-FYWRMAATSA-N 1 2 335.517 3.600 20 0 EHADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000815596089 1136616565 /nfs/dbraw/zinc/61/65/65/1136616565.db2.gz KIEJDTWBFFAMLL-LBPRGKRZSA-N 1 2 328.366 3.909 20 0 EHADLO CN(Cc1cccc(F)c1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001135249081 1136644935 /nfs/dbraw/zinc/64/49/35/1136644935.db2.gz YWBUSRKYBQKPIY-MAEOIBBWSA-N 1 2 341.430 3.850 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776794089 1136665408 /nfs/dbraw/zinc/66/54/08/1136665408.db2.gz XNJAFQYQPVQVIM-KRWDZBQOSA-N 1 2 348.450 3.882 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1Cl ZINC001138022715 1136710701 /nfs/dbraw/zinc/71/07/01/1136710701.db2.gz KDHNJSHFZOYOIK-IINYFYTJSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1Cl ZINC001138022715 1136710704 /nfs/dbraw/zinc/71/07/04/1136710704.db2.gz KDHNJSHFZOYOIK-IINYFYTJSA-N 1 2 339.760 3.923 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)c1cccc2[nH+]ccn21)c1nc2ccccc2[nH]1 ZINC000776826358 1136718409 /nfs/dbraw/zinc/71/84/09/1136718409.db2.gz DNUKFRGENAGLEM-UGSOOPFHSA-N 1 2 347.422 3.728 20 0 EHADLO Cn1ncc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000816485590 1136723956 /nfs/dbraw/zinc/72/39/56/1136723956.db2.gz SAFZTNHWNSUICW-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO Cn1ncc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000816485590 1136723958 /nfs/dbraw/zinc/72/39/58/1136723958.db2.gz SAFZTNHWNSUICW-UHFFFAOYSA-N 1 2 333.741 3.604 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000816636839 1136742888 /nfs/dbraw/zinc/74/28/88/1136742888.db2.gz JIMLIMDDPDPXBZ-HNNXBMFYSA-N 1 2 333.863 3.870 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000816636839 1136742889 /nfs/dbraw/zinc/74/28/89/1136742889.db2.gz JIMLIMDDPDPXBZ-HNNXBMFYSA-N 1 2 333.863 3.870 20 0 EHADLO Fc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c(Cl)c1Cl ZINC000816645553 1136743774 /nfs/dbraw/zinc/74/37/74/1136743774.db2.gz AURKCDIDFYWZJM-UHFFFAOYSA-N 1 2 334.218 3.862 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc(Br)c1OC ZINC000816646862 1136744824 /nfs/dbraw/zinc/74/48/24/1136744824.db2.gz JVICWZCDGWELJX-GHMZBOCLSA-N 1 2 328.250 3.697 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)cc(Br)c1OC ZINC000816646862 1136744828 /nfs/dbraw/zinc/74/48/28/1136744828.db2.gz JVICWZCDGWELJX-GHMZBOCLSA-N 1 2 328.250 3.697 20 0 EHADLO Cc1cc(Cl)ccc1OC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135685098 1136751822 /nfs/dbraw/zinc/75/18/22/1136751822.db2.gz CSHPIHOBAJARSG-UHFFFAOYSA-N 1 2 326.783 3.982 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CC12CCSCC2 ZINC000817125219 1136781673 /nfs/dbraw/zinc/78/16/73/1136781673.db2.gz YLKSPFUYYMZELW-GFCCVEGCSA-N 1 2 331.489 3.527 20 0 EHADLO Cc1ccc(F)c(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC001135883469 1136799052 /nfs/dbraw/zinc/79/90/52/1136799052.db2.gz NJNRXABWUSYENC-UHFFFAOYSA-N 1 2 338.386 3.695 20 0 EHADLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2Br)c(Cl)n1 ZINC000856774998 1136809653 /nfs/dbraw/zinc/80/96/53/1136809653.db2.gz AJMJTLJWJLHXOV-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO COc1ccc(F)c(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)c1 ZINC000856801213 1136812584 /nfs/dbraw/zinc/81/25/84/1136812584.db2.gz LZXUJHRPLVUCSN-UHFFFAOYSA-N 1 2 325.815 3.634 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cnc(-c2ccccc2)s1 ZINC000429538961 1136813230 /nfs/dbraw/zinc/81/32/30/1136813230.db2.gz JFJFHJQDDWBZGF-UHFFFAOYSA-N 1 2 338.480 3.975 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cc1 ZINC001135943732 1136816513 /nfs/dbraw/zinc/81/65/13/1136816513.db2.gz XXYYQWJTYBWJPR-UHFFFAOYSA-N 1 2 331.375 3.702 20 0 EHADLO Cc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)cc(C)[nH+]1 ZINC000817619802 1136830003 /nfs/dbraw/zinc/83/00/03/1136830003.db2.gz WPRITLVUELTECT-UHFFFAOYSA-N 1 2 343.736 3.696 20 0 EHADLO Cn1cc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c(Cl)n1 ZINC000857046893 1136836826 /nfs/dbraw/zinc/83/68/26/1136836826.db2.gz HACZKKXUWBTDJO-UHFFFAOYSA-N 1 2 329.753 3.692 20 0 EHADLO OCC[C@@H]([NH2+][C@@H](c1ccc(Br)cc1)C(F)F)C1CC1 ZINC000857077154 1136841544 /nfs/dbraw/zinc/84/15/44/1136841544.db2.gz ZUAINLFRFGCTJM-OLZOCXBDSA-N 1 2 334.204 3.506 20 0 EHADLO [NH3+][C@@H](C(=O)N1CCC(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000817934756 1136847014 /nfs/dbraw/zinc/84/70/14/1136847014.db2.gz NYXSNBFGRSENDS-GOSISDBHSA-N 1 2 348.368 3.510 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)n1 ZINC000818219894 1136867037 /nfs/dbraw/zinc/86/70/37/1136867037.db2.gz DHHRZSUKWQXJJN-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)n1 ZINC000818344928 1136873047 /nfs/dbraw/zinc/87/30/47/1136873047.db2.gz QXVJGJVLKMWXJB-JTQLQIEISA-N 1 2 347.513 3.951 20 0 EHADLO O=C(C[C@@H]1CCc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000115212255 1136874498 /nfs/dbraw/zinc/87/44/98/1136874498.db2.gz BHUIOPWDQLBQLO-SFHVURJKSA-N 1 2 331.419 3.609 20 0 EHADLO CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857944691 1136924714 /nfs/dbraw/zinc/92/47/14/1136924714.db2.gz LTXUWTIYQPIEEV-SFHVURJKSA-N 1 2 339.483 3.635 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987299 1136927250 /nfs/dbraw/zinc/92/72/50/1136927250.db2.gz TWIAQIIAYVZEHF-RISCZKNCSA-N 1 2 337.345 3.657 20 0 EHADLO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(F)cc1F ZINC000858140489 1136943064 /nfs/dbraw/zinc/94/30/64/1136943064.db2.gz CNZFXYLCHLAFLY-CYBMUJFWSA-N 1 2 344.203 3.702 20 0 EHADLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000777015515 1136951533 /nfs/dbraw/zinc/95/15/33/1136951533.db2.gz XZYOCNOSSWJSLX-UHFFFAOYSA-N 1 2 349.312 3.505 20 0 EHADLO Fc1cccc(Cl)c1[C@@H](CNc1nccnc1F)[NH+]1CCCC1 ZINC000858346949 1136960396 /nfs/dbraw/zinc/96/03/96/1136960396.db2.gz OSPDJVDJTSLQJP-CYBMUJFWSA-N 1 2 338.789 3.657 20 0 EHADLO CC(C)(C)CCC1(O)CC(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001136270063 1136963527 /nfs/dbraw/zinc/96/35/27/1136963527.db2.gz DKNPSVUWWIIMEE-UHFFFAOYSA-N 1 2 341.455 3.778 20 0 EHADLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1[nH+]ccc2ccccc21 ZINC000858454827 1136969575 /nfs/dbraw/zinc/96/95/75/1136969575.db2.gz FYWFOHXXTPLRHK-CABCVRRESA-N 1 2 341.455 3.974 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(C(F)(F)F)c1 ZINC000858728025 1136989321 /nfs/dbraw/zinc/98/93/21/1136989321.db2.gz SVPIEROXBDWJGR-NSHDSACASA-N 1 2 345.390 3.808 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000858828638 1136993642 /nfs/dbraw/zinc/99/36/42/1136993642.db2.gz PFILLJXGHOUKIA-UHFFFAOYSA-N 1 2 346.434 3.885 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001136351636 1136997517 /nfs/dbraw/zinc/99/75/17/1136997517.db2.gz UYXKWIQBDXZRRH-IXYNUQLISA-N 1 2 333.501 3.750 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820862768 1137007005 /nfs/dbraw/zinc/00/70/05/1137007005.db2.gz WPWXTWGWOZGAFD-ZWNOBZJWSA-N 1 2 341.333 3.527 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(OC(C)(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000820858789 1137007042 /nfs/dbraw/zinc/00/70/42/1137007042.db2.gz AZZVOFBUHJGUHN-QAPCUYQASA-N 1 2 341.455 3.784 20 0 EHADLO CC1CCC(=CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000116643369 1137010661 /nfs/dbraw/zinc/01/06/61/1137010661.db2.gz NYWAFFDRXQUVCY-UHFFFAOYSA-N 1 2 328.456 3.594 20 0 EHADLO CO[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001136399337 1137012568 /nfs/dbraw/zinc/01/25/68/1137012568.db2.gz UWKNBIMHBVMEKV-LJQANCHMSA-N 1 2 349.434 3.890 20 0 EHADLO O=C(/C=C/c1csc(C(F)(F)F)c1)NCCCCn1cc[nH+]c1 ZINC000859361361 1137012676 /nfs/dbraw/zinc/01/26/76/1137012676.db2.gz HCQKPNCPGWSNQS-ONEGZZNKSA-N 1 2 343.374 3.573 20 0 EHADLO C[N@H+](CCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000859385318 1137013333 /nfs/dbraw/zinc/01/33/33/1137013333.db2.gz QYCODUMPQRFQLC-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO C[N@@H+](CCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000859385318 1137013335 /nfs/dbraw/zinc/01/33/35/1137013335.db2.gz QYCODUMPQRFQLC-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)co1 ZINC000821386110 1137024810 /nfs/dbraw/zinc/02/48/10/1137024810.db2.gz IITLEYGTYRXEII-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)co1 ZINC000821386110 1137024812 /nfs/dbraw/zinc/02/48/12/1137024812.db2.gz IITLEYGTYRXEII-KRWDZBQOSA-N 1 2 328.437 3.780 20 0 EHADLO Nc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136459392 1137031004 /nfs/dbraw/zinc/03/10/04/1137031004.db2.gz UJQZEFUZJUHNEB-UHFFFAOYSA-N 1 2 346.312 3.930 20 0 EHADLO COc1cc(C)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136488569 1137035267 /nfs/dbraw/zinc/03/52/67/1137035267.db2.gz QQBHQZPDMFBPJR-INIZCTEOSA-N 1 2 335.407 3.887 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000859955029 1137038577 /nfs/dbraw/zinc/03/85/77/1137038577.db2.gz RKGSMPMJTDRQJF-MISXGVKJSA-N 1 2 343.254 3.552 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000859955029 1137038579 /nfs/dbraw/zinc/03/85/79/1137038579.db2.gz RKGSMPMJTDRQJF-MISXGVKJSA-N 1 2 343.254 3.552 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000821874931 1137041240 /nfs/dbraw/zinc/04/12/40/1137041240.db2.gz DTWUTMUGGAWQNJ-BPLDGKMQSA-N 1 2 349.356 3.548 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000821874931 1137041242 /nfs/dbraw/zinc/04/12/42/1137041242.db2.gz DTWUTMUGGAWQNJ-BPLDGKMQSA-N 1 2 349.356 3.548 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C3CC3)nc2C)n1 ZINC000822701863 1137071087 /nfs/dbraw/zinc/07/10/87/1137071087.db2.gz IDGLVIWJPSVPPT-UHFFFAOYSA-N 1 2 344.484 3.818 20 0 EHADLO Cc1cc(NC(=O)c2ccoc2Br)ccc1-n1cc[nH+]c1 ZINC001136625017 1137073034 /nfs/dbraw/zinc/07/30/34/1137073034.db2.gz USITUWGWWXHSCK-UHFFFAOYSA-N 1 2 346.184 3.789 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000823128264 1137088270 /nfs/dbraw/zinc/08/82/70/1137088270.db2.gz GECKCBYAHJRMJT-YPMHNXCESA-N 1 2 343.302 3.896 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000823128264 1137088273 /nfs/dbraw/zinc/08/82/73/1137088273.db2.gz GECKCBYAHJRMJT-YPMHNXCESA-N 1 2 343.302 3.896 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000823224506 1137091445 /nfs/dbraw/zinc/09/14/45/1137091445.db2.gz OUTRRHTUBBDTMF-LBPRGKRZSA-N 1 2 345.468 3.561 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC001137662316 1137092162 /nfs/dbraw/zinc/09/21/62/1137092162.db2.gz PVYHOTKYBSCMBR-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC001137662316 1137092164 /nfs/dbraw/zinc/09/21/64/1137092164.db2.gz PVYHOTKYBSCMBR-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823317393 1137093740 /nfs/dbraw/zinc/09/37/40/1137093740.db2.gz NTNAZIJQYLAXRV-NSHDSACASA-N 1 2 337.345 3.723 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000823477088 1137101849 /nfs/dbraw/zinc/10/18/49/1137101849.db2.gz JPCCEVFHMIJLRE-HNNXBMFYSA-N 1 2 348.878 3.551 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000823477088 1137101851 /nfs/dbraw/zinc/10/18/51/1137101851.db2.gz JPCCEVFHMIJLRE-HNNXBMFYSA-N 1 2 348.878 3.551 20 0 EHADLO Fc1c(Cl)nccc1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000823644361 1137107992 /nfs/dbraw/zinc/10/79/92/1137107992.db2.gz FKDARCIPKVMABA-UHFFFAOYSA-N 1 2 349.715 3.500 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nn(CC)nc2C)cc1OC ZINC000823666480 1137108636 /nfs/dbraw/zinc/10/86/36/1137108636.db2.gz LXZPELRFXINBJG-AWEZNQCLSA-N 1 2 346.475 3.645 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CN(C)CC(F)(F)Br ZINC000805835027 1137112095 /nfs/dbraw/zinc/11/20/95/1137112095.db2.gz HOOWXBFMHPLTPE-UHFFFAOYSA-N 1 2 344.203 3.600 20 0 EHADLO Clc1cc(Br)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001137560710 1137128630 /nfs/dbraw/zinc/12/86/30/1137128630.db2.gz LITOSWCVPPLCGC-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO Clc1cc(Br)ccc1C[N@H+]1CCCC2(COC2)C1 ZINC001137560710 1137128632 /nfs/dbraw/zinc/12/86/32/1137128632.db2.gz LITOSWCVPPLCGC-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001136848595 1137130832 /nfs/dbraw/zinc/13/08/32/1137130832.db2.gz JZRMQHFXHVHWAF-KSZLIROESA-N 1 2 349.519 3.913 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3ccnc(Cl)c3F)CC2)c1 ZINC000824319928 1137132183 /nfs/dbraw/zinc/13/21/83/1137132183.db2.gz ASNZZXONOXIXHI-UHFFFAOYSA-N 1 2 348.849 3.752 20 0 EHADLO COc1cccc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000339034569 1137136299 /nfs/dbraw/zinc/13/62/99/1137136299.db2.gz RBBSDDKIDJRWTC-AWEZNQCLSA-N 1 2 345.406 3.997 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527550 1137141319 /nfs/dbraw/zinc/14/13/19/1137141319.db2.gz WEFPPTXZBBFHGH-RHSMWYFYSA-N 1 2 330.451 3.739 20 0 EHADLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cnn1C ZINC001136911183 1137145411 /nfs/dbraw/zinc/14/54/11/1137145411.db2.gz QGSKTCDBARMQOY-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1c(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cnn1C ZINC001136911183 1137145412 /nfs/dbraw/zinc/14/54/12/1137145412.db2.gz QGSKTCDBARMQOY-INIZCTEOSA-N 1 2 347.846 3.587 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)nc1 ZINC001136931544 1137150472 /nfs/dbraw/zinc/15/04/72/1137150472.db2.gz GOWCOAADYTZAKQ-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CC(=O)[C@H]1C[N@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001136947549 1137153812 /nfs/dbraw/zinc/15/38/12/1137153812.db2.gz LBWKHUOSEPORNU-JOCHJYFZSA-N 1 2 346.430 3.692 20 0 EHADLO CC(=O)[C@H]1C[N@@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001136947549 1137153813 /nfs/dbraw/zinc/15/38/13/1137153813.db2.gz LBWKHUOSEPORNU-JOCHJYFZSA-N 1 2 346.430 3.692 20 0 EHADLO Fc1ccc(OC2C[NH+](Cc3ccc(OCC(F)F)cc3)C2)cc1 ZINC001136940677 1137154219 /nfs/dbraw/zinc/15/42/19/1137154219.db2.gz IWTCZXWFDCOMPV-UHFFFAOYSA-N 1 2 337.341 3.733 20 0 EHADLO Cc1cccn2c(CN3CCOC[C@H]3c3ccccc3Cl)c[nH+]c12 ZINC001136965940 1137158641 /nfs/dbraw/zinc/15/86/41/1137158641.db2.gz FUJRCKDCXWJUFL-SFHVURJKSA-N 1 2 341.842 3.870 20 0 EHADLO Cc1cccn2c(CN3CCOC[C@@H]3c3ccc(Cl)cc3)c[nH+]c12 ZINC001136965908 1137158673 /nfs/dbraw/zinc/15/86/73/1137158673.db2.gz DTHIAUASQSQIGH-GOSISDBHSA-N 1 2 341.842 3.870 20 0 EHADLO Cc1ccc2c(C[N@H+]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C3)c[nH]c2c1 ZINC001136974695 1137159424 /nfs/dbraw/zinc/15/94/24/1137159424.db2.gz JBQIBCNOVYAJJJ-DOTOQJQBSA-N 1 2 347.434 3.523 20 0 EHADLO Cc1ccc2c(C[N@@H+]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C3)c[nH]c2c1 ZINC001136974695 1137159426 /nfs/dbraw/zinc/15/94/26/1137159426.db2.gz JBQIBCNOVYAJJJ-DOTOQJQBSA-N 1 2 347.434 3.523 20 0 EHADLO COCCc1ccc(OC[C@@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000824982800 1137160794 /nfs/dbraw/zinc/16/07/94/1137160794.db2.gz FBFMDEQQLXDPHN-MRXNPFEDSA-N 1 2 328.456 3.821 20 0 EHADLO CCCOCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000863219815 1137175375 /nfs/dbraw/zinc/17/53/75/1137175375.db2.gz SILVBMMQZIZWBO-UHFFFAOYSA-N 1 2 346.500 3.729 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000863254341 1137177817 /nfs/dbraw/zinc/17/78/17/1137177817.db2.gz DGFSZFYTAMWKKW-SJORKVTESA-N 1 2 337.467 3.697 20 0 EHADLO c1nc2cc(C[NH+](Cc3cccnc3)Cc3cccnc3)ccc2[nH]1 ZINC001137045889 1137180332 /nfs/dbraw/zinc/18/03/32/1137180332.db2.gz YZKTWXHRGRPWRG-UHFFFAOYSA-N 1 2 329.407 3.555 20 0 EHADLO c1nc2ccc(C[NH+](Cc3cccnc3)Cc3cccnc3)cc2[nH]1 ZINC001137045889 1137180333 /nfs/dbraw/zinc/18/03/33/1137180333.db2.gz YZKTWXHRGRPWRG-UHFFFAOYSA-N 1 2 329.407 3.555 20 0 EHADLO CCOc1nn(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(=S)s1 ZINC000863320963 1137181029 /nfs/dbraw/zinc/18/10/29/1137181029.db2.gz MIBFZLAFYPTAQG-SOUVJXGZSA-N 1 2 347.509 3.766 20 0 EHADLO CCOc1nn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(=S)s1 ZINC000863320963 1137181030 /nfs/dbraw/zinc/18/10/30/1137181030.db2.gz MIBFZLAFYPTAQG-SOUVJXGZSA-N 1 2 347.509 3.766 20 0 EHADLO Cn1c[nH+]c2c1CCN(Cc1ccc(C(F)(F)F)cc1Cl)C2 ZINC001143715711 1137191561 /nfs/dbraw/zinc/19/15/61/1137191561.db2.gz OLWOTIWOOIGSPR-UHFFFAOYSA-N 1 2 329.753 3.651 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863618733 1137195054 /nfs/dbraw/zinc/19/50/54/1137195054.db2.gz ZLWDZIQQJNZGNP-VXGBXAGGSA-N 1 2 341.358 3.774 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3Br)C[C@@H]12 ZINC001143824487 1137202164 /nfs/dbraw/zinc/20/21/64/1137202164.db2.gz FXWIODHSBVXWFH-NXEZZACHSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3Br)C[C@@H]12 ZINC001143824487 1137202166 /nfs/dbraw/zinc/20/21/66/1137202166.db2.gz FXWIODHSBVXWFH-NXEZZACHSA-N 1 2 344.199 3.528 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC)C2)c1F ZINC001143833140 1137204292 /nfs/dbraw/zinc/20/42/92/1137204292.db2.gz VMVMOUNRWBXCOR-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@H](CC(=O)OC)C2)c1F ZINC001143833140 1137204293 /nfs/dbraw/zinc/20/42/93/1137204293.db2.gz VMVMOUNRWBXCOR-LBPRGKRZSA-N 1 2 343.826 3.653 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1Br ZINC000429555025 1137207627 /nfs/dbraw/zinc/20/76/27/1137207627.db2.gz LPNAOBXDJMHWMT-UHFFFAOYSA-N 1 2 334.261 3.614 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1F ZINC001143896151 1137213021 /nfs/dbraw/zinc/21/30/21/1137213021.db2.gz UIIYXVVKUHAVAV-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1F ZINC001143896151 1137213022 /nfs/dbraw/zinc/21/30/22/1137213022.db2.gz UIIYXVVKUHAVAV-ZDUSSCGKSA-N 1 2 336.794 3.536 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000844372527 1137213612 /nfs/dbraw/zinc/21/36/12/1137213612.db2.gz YQCIYDIVYFUMDX-SFHVURJKSA-N 1 2 349.862 3.504 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000844372527 1137213613 /nfs/dbraw/zinc/21/36/13/1137213613.db2.gz YQCIYDIVYFUMDX-SFHVURJKSA-N 1 2 349.862 3.504 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582782 1137214085 /nfs/dbraw/zinc/21/40/85/1137214085.db2.gz FXPMMNGOVNPBHC-TYILLQQXSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582782 1137214086 /nfs/dbraw/zinc/21/40/86/1137214086.db2.gz FXPMMNGOVNPBHC-TYILLQQXSA-N 1 2 346.858 3.657 20 0 EHADLO CCOC(=O)C1(C)CC[NH+](Cc2c(F)ccc(OCC)c2F)CC1 ZINC001143937655 1137216269 /nfs/dbraw/zinc/21/62/69/1137216269.db2.gz VGWPPJZAHQVRIS-UHFFFAOYSA-N 1 2 341.398 3.529 20 0 EHADLO CCOc1ccc(F)c(C[NH+]2CCC(Oc3cccnc3)CC2)c1F ZINC001143937168 1137216273 /nfs/dbraw/zinc/21/62/73/1137216273.db2.gz BHXXRMMTPDTFGW-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001143947214 1137217540 /nfs/dbraw/zinc/21/75/40/1137217540.db2.gz LTFHJPOMFCAAIY-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001143947214 1137217542 /nfs/dbraw/zinc/21/75/42/1137217542.db2.gz LTFHJPOMFCAAIY-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958522 1137218795 /nfs/dbraw/zinc/21/87/95/1137218795.db2.gz GMCPMFOFPHNGNI-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958522 1137218797 /nfs/dbraw/zinc/21/87/97/1137218797.db2.gz GMCPMFOFPHNGNI-LLVKDONJSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961801 1137219391 /nfs/dbraw/zinc/21/93/91/1137219391.db2.gz VKGHIAQBXZBZJW-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961801 1137219393 /nfs/dbraw/zinc/21/93/93/1137219393.db2.gz VKGHIAQBXZBZJW-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)nc2ccc(Cl)cc12 ZINC000844440764 1137223825 /nfs/dbraw/zinc/22/38/25/1137223825.db2.gz TZWMCPZGEVBIAF-OAHLLOKOSA-N 1 2 339.773 3.610 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)nc2ccc(Cl)cc12 ZINC000844440764 1137223826 /nfs/dbraw/zinc/22/38/26/1137223826.db2.gz TZWMCPZGEVBIAF-OAHLLOKOSA-N 1 2 339.773 3.610 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654550 1137224129 /nfs/dbraw/zinc/22/41/29/1137224129.db2.gz CZMPCUQOUBVQNE-WDEREUQCSA-N 1 2 329.391 3.939 20 0 EHADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1c2ccccc2n(C)c1=S ZINC000794654550 1137224130 /nfs/dbraw/zinc/22/41/30/1137224130.db2.gz CZMPCUQOUBVQNE-WDEREUQCSA-N 1 2 329.391 3.939 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H](C)CC(C)C)CC2)cs1 ZINC000805949309 1137239830 /nfs/dbraw/zinc/23/98/30/1137239830.db2.gz SEQXFIBFBBKZCW-AWEZNQCLSA-N 1 2 338.517 3.889 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844631979 1137241338 /nfs/dbraw/zinc/24/13/38/1137241338.db2.gz UZETZWNKHKSHAJ-CWRNSKLLSA-N 1 2 348.245 3.718 20 0 EHADLO Cn1ccc(C2CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)n1 ZINC001144133944 1137242760 /nfs/dbraw/zinc/24/27/60/1137242760.db2.gz HDNQURKPNATNPO-UHFFFAOYSA-N 1 2 325.790 3.731 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147146 1137245991 /nfs/dbraw/zinc/24/59/91/1137245991.db2.gz CQUSGBCWDQIPIA-IUODEOHRSA-N 1 2 330.255 3.782 20 0 EHADLO C[C@H]([N@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C(C)(C)C ZINC000844684422 1137246628 /nfs/dbraw/zinc/24/66/28/1137246628.db2.gz JUWHEGCUWISPKJ-NSHDSACASA-N 1 2 339.892 3.949 20 0 EHADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C(C)(C)C ZINC000844684422 1137246629 /nfs/dbraw/zinc/24/66/29/1137246629.db2.gz JUWHEGCUWISPKJ-NSHDSACASA-N 1 2 339.892 3.949 20 0 EHADLO C/C(=C/C1CCC(C)CC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000864803281 1137246851 /nfs/dbraw/zinc/24/68/51/1137246851.db2.gz ZGNCLJGZKGODRI-SSZFMOIBSA-N 1 2 329.488 3.651 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864802351 1137246933 /nfs/dbraw/zinc/24/69/33/1137246933.db2.gz PYGZAAHKIOXJGT-UHFFFAOYSA-N 1 2 348.450 3.551 20 0 EHADLO C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000864912964 1137252098 /nfs/dbraw/zinc/25/20/98/1137252098.db2.gz RIOMUPAGOCXZCG-BNKGTRELSA-N 1 2 342.483 3.526 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1([C@@H]2CCCCO2)CCC1 ZINC000864951119 1137254637 /nfs/dbraw/zinc/25/46/37/1137254637.db2.gz CZGVVEFLANWHCK-KRWDZBQOSA-N 1 2 343.402 3.689 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066689 1137261190 /nfs/dbraw/zinc/26/11/90/1137261190.db2.gz FHEMTBRFYIIFDW-VBKFSLOCSA-N 1 2 349.356 3.693 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Cl)n1 ZINC000865140576 1137264763 /nfs/dbraw/zinc/26/47/63/1137264763.db2.gz GVUBMAAKVSBBSQ-GFCCVEGCSA-N 1 2 346.862 3.775 20 0 EHADLO Cc1nc(NCc2ccc3ncc(Br)cc3c2)cc[nH+]1 ZINC001171158533 1137269889 /nfs/dbraw/zinc/26/98/89/1137269889.db2.gz PQERNOUXBAFMAF-UHFFFAOYSA-N 1 2 329.201 3.708 20 0 EHADLO COC(C[N@H+](C)Cc1ccc2ccccc2c1Br)OC ZINC001144312957 1137272673 /nfs/dbraw/zinc/27/26/73/1137272673.db2.gz MKGHVJNFIWLLFP-UHFFFAOYSA-N 1 2 338.245 3.653 20 0 EHADLO COC(C[N@@H+](C)Cc1ccc2ccccc2c1Br)OC ZINC001144312957 1137272675 /nfs/dbraw/zinc/27/26/75/1137272675.db2.gz MKGHVJNFIWLLFP-UHFFFAOYSA-N 1 2 338.245 3.653 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000120516414 1137277202 /nfs/dbraw/zinc/27/72/02/1137277202.db2.gz IVKNESXDFMCPRP-UHFFFAOYSA-N 1 2 337.467 3.913 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000120516414 1137277203 /nfs/dbraw/zinc/27/72/03/1137277203.db2.gz IVKNESXDFMCPRP-UHFFFAOYSA-N 1 2 337.467 3.913 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375291 1137278470 /nfs/dbraw/zinc/27/84/70/1137278470.db2.gz TVFGYYIZZCEYBX-UHFFFAOYSA-N 1 2 335.835 3.790 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4nc(C)c(C)s4)C[C@H]3O2)n1 ZINC001144363303 1137278880 /nfs/dbraw/zinc/27/88/80/1137278880.db2.gz HVCGWWVIRUNWAI-RRFJBIMHSA-N 1 2 349.525 3.877 20 0 EHADLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4nc(C)c(C)s4)C[C@H]3O2)n1 ZINC001144363303 1137278882 /nfs/dbraw/zinc/27/88/82/1137278882.db2.gz HVCGWWVIRUNWAI-RRFJBIMHSA-N 1 2 349.525 3.877 20 0 EHADLO CCCCc1ccc(C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845279505 1137283250 /nfs/dbraw/zinc/28/32/50/1137283250.db2.gz NYBJWFMTDKBPOH-HNNXBMFYSA-N 1 2 328.412 3.603 20 0 EHADLO Cc1ccc(-c2cc(COC(=O)C[C@H](C)n3cc[nH+]c3)on2)cc1 ZINC000845281881 1137283307 /nfs/dbraw/zinc/28/33/07/1137283307.db2.gz SHGVIDIFRFWQLE-AWEZNQCLSA-N 1 2 325.368 3.541 20 0 EHADLO C[C@H]([NH2+]Cc1cccnc1F)c1cc(Br)ccc1F ZINC000794837011 1137283756 /nfs/dbraw/zinc/28/37/56/1137283756.db2.gz TWXAYBZJRABJAQ-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CC(C)COC1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865455600 1137285587 /nfs/dbraw/zinc/28/55/87/1137285587.db2.gz JLIGHVZJEQXNIR-UHFFFAOYSA-N 1 2 340.471 3.730 20 0 EHADLO CC(C)COC1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865455600 1137285589 /nfs/dbraw/zinc/28/55/89/1137285589.db2.gz JLIGHVZJEQXNIR-UHFFFAOYSA-N 1 2 340.471 3.730 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000865511438 1137290371 /nfs/dbraw/zinc/29/03/71/1137290371.db2.gz FDQUDFZAQRFDHM-QGZVFWFLSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000865511438 1137290372 /nfs/dbraw/zinc/29/03/72/1137290372.db2.gz FDQUDFZAQRFDHM-QGZVFWFLSA-N 1 2 336.357 3.703 20 0 EHADLO CC(C)Oc1ccc(CCCOC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845449930 1137292774 /nfs/dbraw/zinc/29/27/74/1137292774.db2.gz PWLSPCHBAYPRDV-MRXNPFEDSA-N 1 2 330.428 3.797 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1c(F)cncc1F ZINC000865568198 1137295840 /nfs/dbraw/zinc/29/58/40/1137295840.db2.gz ZIQYFLDQBHIJON-QMMMGPOBSA-N 1 2 332.272 3.951 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C1(c2ccccc2Cl)CCC1 ZINC000845522863 1137296772 /nfs/dbraw/zinc/29/67/72/1137296772.db2.gz RAPCDKWRNNHUKY-UHFFFAOYSA-N 1 2 332.831 3.671 20 0 EHADLO C[C@@H](C[C@H](O)c1ccco1)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865611290 1137298617 /nfs/dbraw/zinc/29/86/17/1137298617.db2.gz IFTUXFIDTZKMJI-HOCLYGCPSA-N 1 2 338.411 3.606 20 0 EHADLO C[C@@H](C[C@H](O)c1ccco1)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865611290 1137298620 /nfs/dbraw/zinc/29/86/20/1137298620.db2.gz IFTUXFIDTZKMJI-HOCLYGCPSA-N 1 2 338.411 3.606 20 0 EHADLO CC(C)(CCOC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000845554826 1137299135 /nfs/dbraw/zinc/29/91/35/1137299135.db2.gz NTVVIHZKMDTOTI-UHFFFAOYSA-N 1 2 326.440 3.673 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001144490036 1137300156 /nfs/dbraw/zinc/30/01/56/1137300156.db2.gz UWUOPIRLRLUSIH-HXUWFJFHSA-N 1 2 342.870 3.764 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001144490036 1137300158 /nfs/dbraw/zinc/30/01/58/1137300158.db2.gz UWUOPIRLRLUSIH-HXUWFJFHSA-N 1 2 342.870 3.764 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CC2CCC1CC2 ZINC000845754366 1137308568 /nfs/dbraw/zinc/30/85/68/1137308568.db2.gz AGXJKSZKJQWGMS-FHZKDXSVSA-N 1 2 344.503 3.524 20 0 EHADLO CC(C)C[C@H]1CCC[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000120745115 1137312153 /nfs/dbraw/zinc/31/21/53/1137312153.db2.gz BFPWUKYRJSLIBY-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO CC(C)C[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 ZINC000120745115 1137312155 /nfs/dbraw/zinc/31/21/55/1137312155.db2.gz BFPWUKYRJSLIBY-MRXNPFEDSA-N 1 2 343.446 3.765 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(F)c(Br)c2)n1 ZINC000865810254 1137313403 /nfs/dbraw/zinc/31/34/03/1137313403.db2.gz MMZQKGCDXRCAQH-UHFFFAOYSA-N 1 2 348.166 3.549 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3noc4cc(F)ccc34)c1)O[C@@H](C)C2 ZINC000865836462 1137315428 /nfs/dbraw/zinc/31/54/28/1137315428.db2.gz GYMFVYJEIJUZTM-NSHDSACASA-N 1 2 342.370 3.589 20 0 EHADLO c1ccc(CNc2cc(N3CCC(OC4CCC4)CC3)nc[nH+]2)cc1 ZINC000865882215 1137318624 /nfs/dbraw/zinc/31/86/24/1137318624.db2.gz NWOWWXJFKJOORK-UHFFFAOYSA-N 1 2 338.455 3.627 20 0 EHADLO c1ccc(CNc2cc(N3CCC(OC4CCC4)CC3)[nH+]cn2)cc1 ZINC000865882215 1137318626 /nfs/dbraw/zinc/31/86/26/1137318626.db2.gz NWOWWXJFKJOORK-UHFFFAOYSA-N 1 2 338.455 3.627 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1F ZINC001144667704 1137324995 /nfs/dbraw/zinc/32/49/95/1137324995.db2.gz YYDKAQHEMYLPOA-CQSZACIVSA-N 1 2 336.407 3.822 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1F ZINC001144667704 1137324997 /nfs/dbraw/zinc/32/49/97/1137324997.db2.gz YYDKAQHEMYLPOA-CQSZACIVSA-N 1 2 336.407 3.822 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000794892917 1137325634 /nfs/dbraw/zinc/32/56/34/1137325634.db2.gz SQOSEJUXSSVQON-HNNXBMFYSA-N 1 2 327.325 3.662 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000794892917 1137325636 /nfs/dbraw/zinc/32/56/36/1137325636.db2.gz SQOSEJUXSSVQON-HNNXBMFYSA-N 1 2 327.325 3.662 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000794893286 1137325845 /nfs/dbraw/zinc/32/58/45/1137325845.db2.gz WLSYIHLVLYALFS-GOSISDBHSA-N 1 2 342.443 3.625 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000794893286 1137325847 /nfs/dbraw/zinc/32/58/47/1137325847.db2.gz WLSYIHLVLYALFS-GOSISDBHSA-N 1 2 342.443 3.625 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC000846018007 1137326395 /nfs/dbraw/zinc/32/63/95/1137326395.db2.gz IYOXUBZAGQMTJL-ISTFRSDRSA-N 1 2 341.499 3.589 20 0 EHADLO CCc1noc(C2CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)n1 ZINC001144729219 1137337361 /nfs/dbraw/zinc/33/73/61/1137337361.db2.gz FOZJRWZVAGVAOV-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cc2cnccc2o1 ZINC000866265412 1137340664 /nfs/dbraw/zinc/34/06/64/1137340664.db2.gz KZDCNXGDTGBKFY-LLVKDONJSA-N 1 2 336.399 3.896 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc3scnc3c1)CC2 ZINC001144744565 1137341718 /nfs/dbraw/zinc/34/17/18/1137341718.db2.gz ZJMHGPZCZOBPJD-UHFFFAOYSA-N 1 2 338.432 3.641 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc3scnc3c1)CC2 ZINC001144744565 1137341719 /nfs/dbraw/zinc/34/17/19/1137341719.db2.gz ZJMHGPZCZOBPJD-UHFFFAOYSA-N 1 2 338.432 3.641 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1cccc(OC)c1OC ZINC000866281525 1137342440 /nfs/dbraw/zinc/34/24/40/1137342440.db2.gz QTJLJJLRQPDKFY-CYBMUJFWSA-N 1 2 335.473 3.920 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000846212365 1137343901 /nfs/dbraw/zinc/34/39/01/1137343901.db2.gz LZPQSSLHYAQEEY-AWEZNQCLSA-N 1 2 341.411 3.748 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2Cl)C[C@H](c2ccsc2)O1 ZINC000121017809 1137347282 /nfs/dbraw/zinc/34/72/82/1137347282.db2.gz JTAVLFDARLNZDW-AFAVFJNCSA-N 1 2 337.872 3.897 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2Cl)C[C@H](c2ccsc2)O1 ZINC000121017809 1137347284 /nfs/dbraw/zinc/34/72/84/1137347284.db2.gz JTAVLFDARLNZDW-AFAVFJNCSA-N 1 2 337.872 3.897 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc2[nH]c(=O)oc2c1 ZINC000866484969 1137358572 /nfs/dbraw/zinc/35/85/72/1137358572.db2.gz BWMCJZGRTMLTFA-SIMVJXQJSA-N 1 2 328.343 3.656 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)n1 ZINC000866568175 1137365425 /nfs/dbraw/zinc/36/54/25/1137365425.db2.gz WJJZCVDMGFDHLP-CYBMUJFWSA-N 1 2 325.334 3.500 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000866581209 1137366693 /nfs/dbraw/zinc/36/66/93/1137366693.db2.gz CSCHPVJFQJJQFF-VBKZILBWSA-N 1 2 348.450 3.965 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(Br)c1 ZINC000866596758 1137367702 /nfs/dbraw/zinc/36/77/02/1137367702.db2.gz JIUUJTLOXFJLCC-GXFFZTMASA-N 1 2 341.274 3.944 20 0 EHADLO Brc1cccc(C[N@@H+]2CCC=C(c3ccccn3)C2)n1 ZINC000846923868 1137375625 /nfs/dbraw/zinc/37/56/25/1137375625.db2.gz UOQYAAOQPMPYHP-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO Brc1cccc(C[N@H+]2CCC=C(c3ccccn3)C2)n1 ZINC000846923868 1137375627 /nfs/dbraw/zinc/37/56/27/1137375627.db2.gz UOQYAAOQPMPYHP-UHFFFAOYSA-N 1 2 330.229 3.528 20 0 EHADLO CC(=O)C1CC[NH+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000846952874 1137378506 /nfs/dbraw/zinc/37/85/06/1137378506.db2.gz IIKJIYXOIXZUNI-GFCCVEGCSA-N 1 2 331.391 3.546 20 0 EHADLO CC(=O)C1CC[NH+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000846953117 1137378829 /nfs/dbraw/zinc/37/88/29/1137378829.db2.gz NCALXABVYSGGTA-GFCCVEGCSA-N 1 2 331.391 3.546 20 0 EHADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 ZINC001146407853 1137389964 /nfs/dbraw/zinc/38/99/64/1137389964.db2.gz YAAPSSMCDAQQEJ-INIZCTEOSA-N 1 2 342.468 3.580 20 0 EHADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 ZINC001146407853 1137389966 /nfs/dbraw/zinc/38/99/66/1137389966.db2.gz YAAPSSMCDAQQEJ-INIZCTEOSA-N 1 2 342.468 3.580 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3CCO[C@H](c4ccsc4)C3)c2cc1C ZINC000122089347 1137404944 /nfs/dbraw/zinc/40/49/44/1137404944.db2.gz UHHQEAVJHRTSKO-SFHVURJKSA-N 1 2 327.453 3.746 20 0 EHADLO Cc1cc2ncn(C[N@H+]3CCO[C@H](c4ccsc4)C3)c2cc1C ZINC000122089347 1137404946 /nfs/dbraw/zinc/40/49/46/1137404946.db2.gz UHHQEAVJHRTSKO-SFHVURJKSA-N 1 2 327.453 3.746 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC001147702842 1137411397 /nfs/dbraw/zinc/41/13/97/1137411397.db2.gz XEHCYKWFOHDZCA-RMKNXTFCSA-N 1 2 340.492 3.782 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1nc2c(s1)CCCC2 ZINC000772994478 1137432908 /nfs/dbraw/zinc/43/29/08/1137432908.db2.gz AGJCQBCMYIDDKE-LLVKDONJSA-N 1 2 344.459 3.899 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000869104215 1137436585 /nfs/dbraw/zinc/43/65/85/1137436585.db2.gz CTJCMBNSVYZKRJ-QZTJIDSGSA-N 1 2 341.480 3.781 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000869104215 1137436587 /nfs/dbraw/zinc/43/65/87/1137436587.db2.gz CTJCMBNSVYZKRJ-QZTJIDSGSA-N 1 2 341.480 3.781 20 0 EHADLO CCO[C@H]1C[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1(CC)CC ZINC001148989406 1137439324 /nfs/dbraw/zinc/43/93/24/1137439324.db2.gz XYXQHSFNTQUHEE-SJORKVTESA-N 1 2 329.444 3.619 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000348130439 1137444179 /nfs/dbraw/zinc/44/41/79/1137444179.db2.gz WMHUXKVWZXQNEO-LBPRGKRZSA-N 1 2 339.826 3.846 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000348130439 1137444180 /nfs/dbraw/zinc/44/41/80/1137444180.db2.gz WMHUXKVWZXQNEO-LBPRGKRZSA-N 1 2 339.826 3.846 20 0 EHADLO Cc1nn(-c2ccccn2)c(C)c1CNc1ccc([NH+](C)C)c(C)c1 ZINC000282740299 1137444218 /nfs/dbraw/zinc/44/42/18/1137444218.db2.gz UDULYAZPTLYATG-UHFFFAOYSA-N 1 2 335.455 3.871 20 0 EHADLO CC(C)(C)n1ncnc1CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000282756004 1137448752 /nfs/dbraw/zinc/44/87/52/1137448752.db2.gz ZCGBTHKCROIYDH-UHFFFAOYSA-N 1 2 327.457 3.652 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1)c1ccccc1 ZINC000348221972 1137453570 /nfs/dbraw/zinc/45/35/70/1137453570.db2.gz CCEQTKKJXTZPFW-GIYDNNGJSA-N 1 2 344.499 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1)c1ccccc1 ZINC000348221972 1137453571 /nfs/dbraw/zinc/45/35/71/1137453571.db2.gz CCEQTKKJXTZPFW-GIYDNNGJSA-N 1 2 344.499 3.532 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349228 1137455868 /nfs/dbraw/zinc/45/58/68/1137455868.db2.gz GUCCPVKAIHLSOL-QAPCUYQASA-N 1 2 337.410 3.534 20 0 EHADLO CCc1sc(NC(=O)CCc2c[nH+]cn2C)nc1-c1ccccc1 ZINC000339091800 1137457184 /nfs/dbraw/zinc/45/71/84/1137457184.db2.gz UHNFDQWHIJXJNR-UHFFFAOYSA-N 1 2 340.452 3.677 20 0 EHADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000773040187 1137461465 /nfs/dbraw/zinc/46/14/65/1137461465.db2.gz ACJQAAIZOXALGP-CYBMUJFWSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cc(NCc2ccc(-n3cccn3)nc2)[nH+]cc1C(F)(F)F ZINC001171431127 1137480647 /nfs/dbraw/zinc/48/06/47/1137480647.db2.gz OCIQDUNTDAORJJ-UHFFFAOYSA-N 1 2 333.317 3.602 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC=CCC3)n2)C1 ZINC000339101177 1137486727 /nfs/dbraw/zinc/48/67/27/1137486727.db2.gz GMXZNUXSNTWHFS-GJZGRUSLSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC=CCC3)n2)C1 ZINC000339101177 1137486729 /nfs/dbraw/zinc/48/67/29/1137486729.db2.gz GMXZNUXSNTWHFS-GJZGRUSLSA-N 1 2 348.516 3.853 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)OCc1ccccc1 ZINC001171454978 1137490124 /nfs/dbraw/zinc/49/01/24/1137490124.db2.gz YEULDDUAMAHLLZ-GUYCJALGSA-N 1 2 345.389 3.544 20 0 EHADLO CC(=O)CC(C)(C)Nc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC001171497317 1137492038 /nfs/dbraw/zinc/49/20/38/1137492038.db2.gz NLIJXQLDQYLYRL-UHFFFAOYSA-N 1 2 340.427 3.859 20 0 EHADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471807 1137492701 /nfs/dbraw/zinc/49/27/01/1137492701.db2.gz VSGSOCYNIYYUAI-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@@H](C[N@H+]1CCOC[C@@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471807 1137492702 /nfs/dbraw/zinc/49/27/02/1137492702.db2.gz VSGSOCYNIYYUAI-CVEARBPZSA-N 1 2 330.255 3.528 20 0 EHADLO CCOC(=O)C1([NH2+][C@H]2CCc3c(C)cccc3C2)Cc2ccccc2C1 ZINC001171557252 1137497675 /nfs/dbraw/zinc/49/76/75/1137497675.db2.gz SHLMEADVLBCFNU-FQEVSTJZSA-N 1 2 349.474 3.543 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C[C@@H]1C(C)(C)C ZINC001171601825 1137500081 /nfs/dbraw/zinc/50/00/81/1137500081.db2.gz MFOHHJBOHOEMNF-KBUPBQIOSA-N 1 2 346.462 3.792 20 0 EHADLO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001171771591 1137509656 /nfs/dbraw/zinc/50/96/56/1137509656.db2.gz HGJACFIXSDSWOX-HXUWFJFHSA-N 1 2 336.414 3.570 20 0 EHADLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001171771591 1137509658 /nfs/dbraw/zinc/50/96/58/1137509658.db2.gz HGJACFIXSDSWOX-HXUWFJFHSA-N 1 2 336.414 3.570 20 0 EHADLO CCC[C@@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001171786718 1137512267 /nfs/dbraw/zinc/51/22/67/1137512267.db2.gz COQNVHQXQBCEPR-YLJYHZDGSA-N 1 2 341.426 3.795 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000871081654 1137522058 /nfs/dbraw/zinc/52/20/58/1137522058.db2.gz XHGANRHVMDSMKY-OXJNMPFZSA-N 1 2 325.456 3.521 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000871081654 1137522059 /nfs/dbraw/zinc/52/20/59/1137522059.db2.gz XHGANRHVMDSMKY-OXJNMPFZSA-N 1 2 325.456 3.521 20 0 EHADLO CCC(CC)(CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(F)(F)F ZINC000871265122 1137530721 /nfs/dbraw/zinc/53/07/21/1137530721.db2.gz AODDISOQGBGXEP-UHFFFAOYSA-N 1 2 327.350 3.741 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001172324300 1137547307 /nfs/dbraw/zinc/54/73/07/1137547307.db2.gz GHUUOBCHRSJOHK-ILXRZTDVSA-N 1 2 333.538 3.633 20 0 EHADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](c1nnc(C)o1)c1ccccc1OC ZINC001172352147 1137553669 /nfs/dbraw/zinc/55/36/69/1137553669.db2.gz QCVGLMGPQNBOGP-QWQRMKEZSA-N 1 2 347.459 3.659 20 0 EHADLO CC[C@H](C)OCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172358341 1137554531 /nfs/dbraw/zinc/55/45/31/1137554531.db2.gz GEOCWXDZRKMUFJ-YESZJQIVSA-N 1 2 332.479 3.776 20 0 EHADLO c1cn(CCOc2ccccc2N[C@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000872058527 1137568572 /nfs/dbraw/zinc/56/85/72/1137568572.db2.gz AMYXBSJFQDIEIE-KRWDZBQOSA-N 1 2 341.455 3.866 20 0 EHADLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cccc(O)c1F ZINC000872082820 1137570292 /nfs/dbraw/zinc/57/02/92/1137570292.db2.gz BMEUCMGAXNJPBP-YOEHRIQHSA-N 1 2 339.414 3.899 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000872133847 1137573455 /nfs/dbraw/zinc/57/34/55/1137573455.db2.gz PFYLHKRGFVQLDK-NWDGAFQWSA-N 1 2 329.835 3.737 20 0 EHADLO FC(F)[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CCO1 ZINC000872257065 1137576509 /nfs/dbraw/zinc/57/65/09/1137576509.db2.gz KELKZARLNRFFNG-AWEZNQCLSA-N 1 2 326.774 3.744 20 0 EHADLO FC(F)[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CCO1 ZINC000872257065 1137576510 /nfs/dbraw/zinc/57/65/10/1137576510.db2.gz KELKZARLNRFFNG-AWEZNQCLSA-N 1 2 326.774 3.744 20 0 EHADLO C[C@@H]1CCN(c2cc(C(C)(C)C)nc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000872482698 1137580717 /nfs/dbraw/zinc/58/07/17/1137580717.db2.gz YJJWPEFRZPETNW-CHWSQXEVSA-N 1 2 333.867 3.712 20 0 EHADLO CCOc1cccc(F)c1C[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000873105757 1137590212 /nfs/dbraw/zinc/59/02/12/1137590212.db2.gz AKKIZKXNDMYGSR-KRWDZBQOSA-N 1 2 331.387 3.846 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000873128546 1137590731 /nfs/dbraw/zinc/59/07/31/1137590731.db2.gz UTRJCWBKBVYZNY-UHFFFAOYSA-N 1 2 346.500 3.858 20 0 EHADLO Cc1cccc(C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000873126691 1137590736 /nfs/dbraw/zinc/59/07/36/1137590736.db2.gz WBMVPOHJPFQFKK-UHFFFAOYSA-N 1 2 344.405 3.668 20 0 EHADLO Nc1ccc2c(c1)OCC[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000873220756 1137594406 /nfs/dbraw/zinc/59/44/06/1137594406.db2.gz YDUKASRFTOYPPM-UHFFFAOYSA-N 1 2 329.469 3.778 20 0 EHADLO Nc1ccc2c(c1)OCC[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000873220756 1137594407 /nfs/dbraw/zinc/59/44/07/1137594407.db2.gz YDUKASRFTOYPPM-UHFFFAOYSA-N 1 2 329.469 3.778 20 0 EHADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1sccc1C(F)F ZINC000874152196 1137611131 /nfs/dbraw/zinc/61/11/31/1137611131.db2.gz FQIPGFNJUYZOJD-UHFFFAOYSA-N 1 2 342.436 3.535 20 0 EHADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1sccc1C(F)F ZINC000874152196 1137611132 /nfs/dbraw/zinc/61/11/32/1137611132.db2.gz FQIPGFNJUYZOJD-UHFFFAOYSA-N 1 2 342.436 3.535 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000874254963 1137612127 /nfs/dbraw/zinc/61/21/27/1137612127.db2.gz LISJOVZUNGOHRN-HXUWFJFHSA-N 1 2 341.430 3.623 20 0 EHADLO CC(C)c1nsc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000874691895 1137621245 /nfs/dbraw/zinc/62/12/45/1137621245.db2.gz LVPNZTJEXQJRAU-GFCCVEGCSA-N 1 2 338.864 3.556 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893264 1137625776 /nfs/dbraw/zinc/62/57/76/1137625776.db2.gz PYAYIECUGLVBSB-AHUOSZMWSA-N 1 2 342.389 3.541 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)C2CCC(F)(F)CC2)[nH+]1 ZINC000125921389 1137651332 /nfs/dbraw/zinc/65/13/32/1137651332.db2.gz NSDRBLJSJPITKR-UHFFFAOYSA-N 1 2 341.398 3.708 20 0 EHADLO Oc1cccc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)c1 ZINC000876552704 1137655325 /nfs/dbraw/zinc/65/53/25/1137655325.db2.gz AWCAQRJXRIZYFT-UHFFFAOYSA-N 1 2 343.814 3.509 20 0 EHADLO C[N@@H+](Cc1cccnc1Br)C[C@H]1OCCc2ccccc21 ZINC000876634676 1137657813 /nfs/dbraw/zinc/65/78/13/1137657813.db2.gz YLKSDHSGJVTMDJ-MRXNPFEDSA-N 1 2 347.256 3.590 20 0 EHADLO C[N@H+](Cc1cccnc1Br)C[C@H]1OCCc2ccccc21 ZINC000876634676 1137657814 /nfs/dbraw/zinc/65/78/14/1137657814.db2.gz YLKSDHSGJVTMDJ-MRXNPFEDSA-N 1 2 347.256 3.590 20 0 EHADLO COCCOc1ccc(NCc2[nH+]cc(C)c(OC)c2C)c(C)c1 ZINC000876827450 1137662979 /nfs/dbraw/zinc/66/29/79/1137662979.db2.gz QRVQKOUUCXSZCH-UHFFFAOYSA-N 1 2 330.428 3.653 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000876986104 1137666933 /nfs/dbraw/zinc/66/69/33/1137666933.db2.gz XVPNRAJEFUMAQT-INIZCTEOSA-N 1 2 328.391 3.593 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877173540 1137672256 /nfs/dbraw/zinc/67/22/56/1137672256.db2.gz FQUOUVCJJLOLEO-NSHDSACASA-N 1 2 345.270 3.800 20 0 EHADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877173540 1137672257 /nfs/dbraw/zinc/67/22/57/1137672257.db2.gz FQUOUVCJJLOLEO-NSHDSACASA-N 1 2 345.270 3.800 20 0 EHADLO C[N@H+](Cc1c(Cl)cncc1Cl)C[C@](C)(O)c1ccccc1 ZINC000877599259 1137682562 /nfs/dbraw/zinc/68/25/62/1137682562.db2.gz SPZOQULTPNKICK-INIZCTEOSA-N 1 2 325.239 3.728 20 0 EHADLO C[N@@H+](Cc1c(Cl)cncc1Cl)C[C@](C)(O)c1ccccc1 ZINC000877599259 1137682563 /nfs/dbraw/zinc/68/25/63/1137682563.db2.gz SPZOQULTPNKICK-INIZCTEOSA-N 1 2 325.239 3.728 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cnc(C(C)C)s1)CC2 ZINC000877680990 1137685494 /nfs/dbraw/zinc/68/54/94/1137685494.db2.gz DLSMDFIEYVAEBN-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cnc(C(C)C)s1)CC2 ZINC000877680990 1137685495 /nfs/dbraw/zinc/68/54/95/1137685495.db2.gz DLSMDFIEYVAEBN-UHFFFAOYSA-N 1 2 329.469 3.783 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cnc(C3CCC3)s1)CC2 ZINC000877682161 1137685671 /nfs/dbraw/zinc/68/56/71/1137685671.db2.gz WLQAGPCXNUVXBR-UHFFFAOYSA-N 1 2 341.480 3.927 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cnc(C3CCC3)s1)CC2 ZINC000877682161 1137685672 /nfs/dbraw/zinc/68/56/72/1137685672.db2.gz WLQAGPCXNUVXBR-UHFFFAOYSA-N 1 2 341.480 3.927 20 0 EHADLO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)[nH]n1 ZINC000877784645 1137690031 /nfs/dbraw/zinc/69/00/31/1137690031.db2.gz SUMARGRWXYTNTK-NSHDSACASA-N 1 2 341.381 3.655 20 0 EHADLO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)[nH]n1 ZINC000877784645 1137690032 /nfs/dbraw/zinc/69/00/32/1137690032.db2.gz SUMARGRWXYTNTK-NSHDSACASA-N 1 2 341.381 3.655 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877819233 1137691554 /nfs/dbraw/zinc/69/15/54/1137691554.db2.gz AKTSNFTUZLASDM-ZDUSSCGKSA-N 1 2 339.304 3.750 20 0 EHADLO Cc1ccc(OC(F)F)c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877819233 1137691555 /nfs/dbraw/zinc/69/15/55/1137691555.db2.gz AKTSNFTUZLASDM-ZDUSSCGKSA-N 1 2 339.304 3.750 20 0 EHADLO FC(F)(F)c1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877820328 1137691785 /nfs/dbraw/zinc/69/17/85/1137691785.db2.gz HMBQXAZXLQSYEA-GFCCVEGCSA-N 1 2 327.268 3.859 20 0 EHADLO FC(F)(F)c1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877820328 1137691786 /nfs/dbraw/zinc/69/17/86/1137691786.db2.gz HMBQXAZXLQSYEA-GFCCVEGCSA-N 1 2 327.268 3.859 20 0 EHADLO Clc1ncsc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000877938010 1137696339 /nfs/dbraw/zinc/69/63/39/1137696339.db2.gz UGSKTMYOQDYRGG-GFCCVEGCSA-N 1 2 336.844 3.905 20 0 EHADLO Clc1ncsc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000877938010 1137696340 /nfs/dbraw/zinc/69/63/40/1137696340.db2.gz UGSKTMYOQDYRGG-GFCCVEGCSA-N 1 2 336.844 3.905 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](C)Cc3cccc(Cl)c3)cs2)n1 ZINC000877941496 1137696452 /nfs/dbraw/zinc/69/64/52/1137696452.db2.gz HVKXOIVZZTVPCH-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](C)Cc3cccc(Cl)c3)cs2)n1 ZINC000877941496 1137696453 /nfs/dbraw/zinc/69/64/53/1137696453.db2.gz HVKXOIVZZTVPCH-UHFFFAOYSA-N 1 2 332.860 3.829 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)s1 ZINC000877960069 1137697134 /nfs/dbraw/zinc/69/71/34/1137697134.db2.gz DZCQRFHZVPMPMA-MRXNPFEDSA-N 1 2 345.468 3.832 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)s1 ZINC000877960069 1137697135 /nfs/dbraw/zinc/69/71/35/1137697135.db2.gz DZCQRFHZVPMPMA-MRXNPFEDSA-N 1 2 345.468 3.832 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)co1 ZINC000877972054 1137697627 /nfs/dbraw/zinc/69/76/27/1137697627.db2.gz VBLUEBWLRBQOGW-INIZCTEOSA-N 1 2 339.395 3.984 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2c2cc(C)no2)co1 ZINC000877972054 1137697628 /nfs/dbraw/zinc/69/76/28/1137697628.db2.gz VBLUEBWLRBQOGW-INIZCTEOSA-N 1 2 339.395 3.984 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000877976924 1137697952 /nfs/dbraw/zinc/69/79/52/1137697952.db2.gz RXBQQXYDSRSBKF-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000877976924 1137697953 /nfs/dbraw/zinc/69/79/53/1137697953.db2.gz RXBQQXYDSRSBKF-INIZCTEOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H]2CCC3(CCC3)O2)o1 ZINC000877981687 1137698237 /nfs/dbraw/zinc/69/82/37/1137698237.db2.gz VSVCQKNZPNZVOS-MSOLQXFVSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H]2CCC3(CCC3)O2)o1 ZINC000877981687 1137698238 /nfs/dbraw/zinc/69/82/38/1137698238.db2.gz VSVCQKNZPNZVOS-MSOLQXFVSA-N 1 2 339.439 3.579 20 0 EHADLO c1cc2c(c([C@H]3CCC[N@H+]3Cc3nc4c(o3)CCCC4)c1)OCCO2 ZINC000878043586 1137700538 /nfs/dbraw/zinc/70/05/38/1137700538.db2.gz YUXCJUPLQFFOOT-MRXNPFEDSA-N 1 2 340.423 3.662 20 0 EHADLO c1cc2c(c([C@H]3CCC[N@@H+]3Cc3nc4c(o3)CCCC4)c1)OCCO2 ZINC000878043586 1137700539 /nfs/dbraw/zinc/70/05/39/1137700539.db2.gz YUXCJUPLQFFOOT-MRXNPFEDSA-N 1 2 340.423 3.662 20 0 EHADLO Cc1cccnc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000878166301 1137705339 /nfs/dbraw/zinc/70/53/39/1137705339.db2.gz QPAVRKQLFRIHMQ-KRWDZBQOSA-N 1 2 327.403 3.695 20 0 EHADLO Cc1cccnc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000878166301 1137705340 /nfs/dbraw/zinc/70/53/40/1137705340.db2.gz QPAVRKQLFRIHMQ-KRWDZBQOSA-N 1 2 327.403 3.695 20 0 EHADLO CC(C)([NH2+]Cc1c(Cl)cncc1Cl)C(=O)Nc1ccccc1 ZINC000878267927 1137709177 /nfs/dbraw/zinc/70/91/77/1137709177.db2.gz MVPZVIGLMTUKNJ-UHFFFAOYSA-N 1 2 338.238 3.895 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1ccccc1 ZINC000878368161 1137713077 /nfs/dbraw/zinc/71/30/77/1137713077.db2.gz HNJGKTHSOPPXHQ-PEBXRYMYSA-N 1 2 331.359 3.508 20 0 EHADLO C[N@H+](CCCCCO)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878528830 1137719022 /nfs/dbraw/zinc/71/90/22/1137719022.db2.gz YCNKCIZEKJDZDL-UHFFFAOYSA-N 1 2 344.242 3.638 20 0 EHADLO C[N@@H+](CCCCCO)Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878528830 1137719023 /nfs/dbraw/zinc/71/90/23/1137719023.db2.gz YCNKCIZEKJDZDL-UHFFFAOYSA-N 1 2 344.242 3.638 20 0 EHADLO CO[C@]1(C)CCC[N@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878540013 1137719438 /nfs/dbraw/zinc/71/94/38/1137719438.db2.gz BWIVBDVTMXYTEA-CYBMUJFWSA-N 1 2 333.295 3.605 20 0 EHADLO CO[C@]1(C)CCC[N@@H+](Cc2nc(C)c(Br)s2)CC1 ZINC000878540013 1137719439 /nfs/dbraw/zinc/71/94/39/1137719439.db2.gz BWIVBDVTMXYTEA-CYBMUJFWSA-N 1 2 333.295 3.605 20 0 EHADLO Cc1ccc(N(CC2CC2)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000923676723 1137721251 /nfs/dbraw/zinc/72/12/51/1137721251.db2.gz LWXRIXPOCZVGGF-UHFFFAOYSA-N 1 2 332.407 3.633 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)co1 ZINC000878627389 1137722960 /nfs/dbraw/zinc/72/29/60/1137722960.db2.gz PKPMUFNOAQQNHT-QZTJIDSGSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)co1 ZINC000878627389 1137722961 /nfs/dbraw/zinc/72/29/61/1137722961.db2.gz PKPMUFNOAQQNHT-QZTJIDSGSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)co1 ZINC000878627390 1137722998 /nfs/dbraw/zinc/72/29/98/1137722998.db2.gz PKPMUFNOAQQNHT-ROUUACIJSA-N 1 2 342.439 3.740 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)co1 ZINC000878627390 1137722999 /nfs/dbraw/zinc/72/29/99/1137722999.db2.gz PKPMUFNOAQQNHT-ROUUACIJSA-N 1 2 342.439 3.740 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc3c(o2)CCCC3)c2cccs2)CCC1 ZINC000878691702 1137725333 /nfs/dbraw/zinc/72/53/33/1137725333.db2.gz QVQZTFFXQJMQJH-QGZVFWFLSA-N 1 2 332.469 3.608 20 0 EHADLO COc1ccc(C2CC2)cc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000878774769 1137727707 /nfs/dbraw/zinc/72/77/07/1137727707.db2.gz UUODNXCIWMCDBP-UHFFFAOYSA-N 1 2 336.395 3.542 20 0 EHADLO FC(F)Cn1ccnc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000878812176 1137728894 /nfs/dbraw/zinc/72/88/94/1137728894.db2.gz NSVGBLZLDIMPEK-UHFFFAOYSA-N 1 2 345.315 3.946 20 0 EHADLO O=C(Nc1cccc(Cl)n1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000878890952 1137731141 /nfs/dbraw/zinc/73/11/41/1137731141.db2.gz QGJNKCQJPKYDFQ-JOCQHMNTSA-N 1 2 345.834 3.675 20 0 EHADLO Cc1ccc(NC(=O)N2CCc3ccsc3[C@@H]2C)c(N(C)C)[nH+]1 ZINC000879002837 1137734949 /nfs/dbraw/zinc/73/49/49/1137734949.db2.gz OGEKBFUUVGKNHZ-LBPRGKRZSA-N 1 2 330.457 3.669 20 0 EHADLO Clc1ncsc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057106 1137736599 /nfs/dbraw/zinc/73/65/99/1137736599.db2.gz BEIPSIBFZWOUFF-ZDUSSCGKSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1ncsc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057106 1137736600 /nfs/dbraw/zinc/73/66/00/1137736600.db2.gz BEIPSIBFZWOUFF-ZDUSSCGKSA-N 1 2 335.860 3.722 20 0 EHADLO C[C@@H]1CCN(C(=O)CC[C@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000879152788 1137739570 /nfs/dbraw/zinc/73/95/70/1137739570.db2.gz VYPHJCMXOKSPKX-POAQFYNOSA-N 1 2 337.467 3.803 20 0 EHADLO C(c1noc2c1CCCC2)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551371 1137750619 /nfs/dbraw/zinc/75/06/19/1137750619.db2.gz WDPORZDLMBFVLZ-UHFFFAOYSA-N 1 2 342.443 3.584 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CCO1 ZINC000879629199 1137752792 /nfs/dbraw/zinc/75/27/92/1137752792.db2.gz IXYNRCVSBUASEY-DOMZBBRYSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CCO1 ZINC000879629199 1137752793 /nfs/dbraw/zinc/75/27/93/1137752793.db2.gz IXYNRCVSBUASEY-DOMZBBRYSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CCO1 ZINC000879629631 1137752857 /nfs/dbraw/zinc/75/28/57/1137752857.db2.gz SOHBOPJLKSAXOY-FQEVSTJZSA-N 1 2 326.440 3.589 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2c(C)cc(C)nc2C)CCO1 ZINC000879629631 1137752858 /nfs/dbraw/zinc/75/28/58/1137752858.db2.gz SOHBOPJLKSAXOY-FQEVSTJZSA-N 1 2 326.440 3.589 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724263 1137756537 /nfs/dbraw/zinc/75/65/37/1137756537.db2.gz DZUPZGBEZPKZQM-LLVKDONJSA-N 1 2 345.244 3.913 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724263 1137756538 /nfs/dbraw/zinc/75/65/38/1137756538.db2.gz DZUPZGBEZPKZQM-LLVKDONJSA-N 1 2 345.244 3.913 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+](Cc2noc(C(C)C)n2)CC1 ZINC000879727475 1137756725 /nfs/dbraw/zinc/75/67/25/1137756725.db2.gz HESASEFSAGMAHG-OAHLLOKOSA-N 1 2 329.444 3.971 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)CC1 ZINC000879727475 1137756726 /nfs/dbraw/zinc/75/67/26/1137756726.db2.gz HESASEFSAGMAHG-OAHLLOKOSA-N 1 2 329.444 3.971 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747874 1137757738 /nfs/dbraw/zinc/75/77/38/1137757738.db2.gz SHMCVBKTRYUOPN-SFHVURJKSA-N 1 2 339.439 3.564 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747874 1137757739 /nfs/dbraw/zinc/75/77/39/1137757739.db2.gz SHMCVBKTRYUOPN-SFHVURJKSA-N 1 2 339.439 3.564 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000879752248 1137758072 /nfs/dbraw/zinc/75/80/72/1137758072.db2.gz NWUMTDWKRGLQPO-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000879752248 1137758073 /nfs/dbraw/zinc/75/80/73/1137758073.db2.gz NWUMTDWKRGLQPO-QGZVFWFLSA-N 1 2 339.468 3.584 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000880031045 1137766051 /nfs/dbraw/zinc/76/60/51/1137766051.db2.gz IVKLMVOYDCUYFK-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)c1nc3ccccc3o1)CC2 ZINC000880031045 1137766052 /nfs/dbraw/zinc/76/60/52/1137766052.db2.gz IVKLMVOYDCUYFK-ZDUSSCGKSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000880031044 1137766133 /nfs/dbraw/zinc/76/61/33/1137766133.db2.gz IVKLMVOYDCUYFK-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)c1nc3ccccc3o1)CC2 ZINC000880031044 1137766134 /nfs/dbraw/zinc/76/61/34/1137766134.db2.gz IVKLMVOYDCUYFK-CYBMUJFWSA-N 1 2 335.407 3.906 20 0 EHADLO CC1(C)C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000888798382 1137766811 /nfs/dbraw/zinc/76/68/11/1137766811.db2.gz GYCXQISQIFYZDF-CVEARBPZSA-N 1 2 343.496 3.722 20 0 EHADLO CCc1cnc(C[N@@H+]2CCCSC[C@H]2c2ccccc2OC)o1 ZINC000880173643 1137769797 /nfs/dbraw/zinc/76/97/97/1137769797.db2.gz HGMXLIIATWPNOA-INIZCTEOSA-N 1 2 332.469 3.926 20 0 EHADLO CCc1cnc(C[N@H+]2CCCSC[C@H]2c2ccccc2OC)o1 ZINC000880173643 1137769798 /nfs/dbraw/zinc/76/97/98/1137769798.db2.gz HGMXLIIATWPNOA-INIZCTEOSA-N 1 2 332.469 3.926 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000880172787 1137769821 /nfs/dbraw/zinc/76/98/21/1137769821.db2.gz BVZFXGLOSLWTSR-INIZCTEOSA-N 1 2 332.469 3.980 20 0 EHADLO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000880172787 1137769822 /nfs/dbraw/zinc/76/98/22/1137769822.db2.gz BVZFXGLOSLWTSR-INIZCTEOSA-N 1 2 332.469 3.980 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)cs1 ZINC000880386692 1137777498 /nfs/dbraw/zinc/77/74/98/1137777498.db2.gz JUBGBKRPLMETMW-INIZCTEOSA-N 1 2 347.509 3.782 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCCSC[C@H]2c2ccccc2)cs1 ZINC000880386692 1137777499 /nfs/dbraw/zinc/77/74/99/1137777499.db2.gz JUBGBKRPLMETMW-INIZCTEOSA-N 1 2 347.509 3.782 20 0 EHADLO FC(F)(F)c1nnc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)s1 ZINC000880577615 1137781699 /nfs/dbraw/zinc/78/16/99/1137781699.db2.gz MUUZKQGSIHGQLW-GFCCVEGCSA-N 1 2 349.422 3.586 20 0 EHADLO FC(F)(F)c1nnc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)s1 ZINC000880577615 1137781700 /nfs/dbraw/zinc/78/17/00/1137781700.db2.gz MUUZKQGSIHGQLW-GFCCVEGCSA-N 1 2 349.422 3.586 20 0 EHADLO COCc1nc(C[N@@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)cs1 ZINC000626135003 1137790091 /nfs/dbraw/zinc/79/00/91/1137790091.db2.gz RNKBEUVIZLSXMX-KBXCAEBGSA-N 1 2 346.496 3.814 20 0 EHADLO COCc1nc(C[N@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)cs1 ZINC000626135003 1137790092 /nfs/dbraw/zinc/79/00/92/1137790092.db2.gz RNKBEUVIZLSXMX-KBXCAEBGSA-N 1 2 346.496 3.814 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135428 1137796006 /nfs/dbraw/zinc/79/60/06/1137796006.db2.gz ZKMHJTAZCNOTQY-YOEHRIQHSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135428 1137796007 /nfs/dbraw/zinc/79/60/07/1137796007.db2.gz ZKMHJTAZCNOTQY-YOEHRIQHSA-N 1 2 329.444 3.717 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2(C)C)cc1 ZINC000881660036 1137813265 /nfs/dbraw/zinc/81/32/65/1137813265.db2.gz JVYJYUGPPXTYEH-SJLPKXTDSA-N 1 2 325.456 3.937 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2(C)C)cc1 ZINC000881660623 1137813271 /nfs/dbraw/zinc/81/32/71/1137813271.db2.gz SJERKLAIVYKJLE-PKOBYXMFSA-N 1 2 337.467 3.549 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3cc(C4CC4)ncn3)CC2)cc1 ZINC000882024019 1137819123 /nfs/dbraw/zinc/81/91/23/1137819123.db2.gz UFXAAQVQVNVDND-UHFFFAOYSA-N 1 2 337.471 3.501 20 0 EHADLO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887951 1137821220 /nfs/dbraw/zinc/82/12/20/1137821220.db2.gz DPJWEMWTPJGVMW-UGSOOPFHSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137887951 1137821221 /nfs/dbraw/zinc/82/12/21/1137821221.db2.gz DPJWEMWTPJGVMW-UGSOOPFHSA-N 1 2 343.389 3.512 20 0 EHADLO OCc1cc[nH+]c(N[C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000882257151 1137824504 /nfs/dbraw/zinc/82/45/04/1137824504.db2.gz VMBWABDLWJIOGI-LBPRGKRZSA-N 1 2 325.195 3.816 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000882870782 1137836154 /nfs/dbraw/zinc/83/61/54/1137836154.db2.gz QYCJRZJDVJFVAT-PWRODBHTSA-N 1 2 345.446 3.853 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000130653759 1137840517 /nfs/dbraw/zinc/84/05/17/1137840517.db2.gz WCECACDHQXVKCW-SFHVURJKSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000130653759 1137840518 /nfs/dbraw/zinc/84/05/18/1137840518.db2.gz WCECACDHQXVKCW-SFHVURJKSA-N 1 2 343.446 3.908 20 0 EHADLO COCCCOc1cc(C)ccc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883036806 1137842471 /nfs/dbraw/zinc/84/24/71/1137842471.db2.gz ZNZFVCBJHPHMNE-UHFFFAOYSA-N 1 2 331.460 3.547 20 0 EHADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000883382728 1137858366 /nfs/dbraw/zinc/85/83/66/1137858366.db2.gz MCDBRARAIWMYBI-JKSUJKDBSA-N 1 2 335.220 3.959 20 0 EHADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000883382870 1137858489 /nfs/dbraw/zinc/85/84/89/1137858489.db2.gz OOHRRCRACWDOHV-HOTGVXAUSA-N 1 2 335.220 3.959 20 0 EHADLO F[C@@H]1COc2ccccc2[C@H]1N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388987 1137859228 /nfs/dbraw/zinc/85/92/28/1137859228.db2.gz IHDLDTKJGYYBLV-QWFCFKBJSA-N 1 2 337.398 3.686 20 0 EHADLO C[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000883411405 1137860157 /nfs/dbraw/zinc/86/01/57/1137860157.db2.gz XVNSJJNCIWNTHC-CRAIPNDOSA-N 1 2 326.444 3.502 20 0 EHADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000883464578 1137861244 /nfs/dbraw/zinc/86/12/44/1137861244.db2.gz QVNRDSCNDZRNOK-CYBMUJFWSA-N 1 2 338.274 3.941 20 0 EHADLO O=c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)nc(C2CC2)[nH]1 ZINC000626178934 1137868020 /nfs/dbraw/zinc/86/80/20/1137868020.db2.gz OXOZMCMLHZOYAL-UHFFFAOYSA-N 1 2 331.366 3.507 20 0 EHADLO Cc1ccccc1NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626184034 1137869705 /nfs/dbraw/zinc/86/97/05/1137869705.db2.gz FECLEFJOHBXBAT-UHFFFAOYSA-N 1 2 348.450 3.826 20 0 EHADLO Cc1cc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc[nH+]1 ZINC000101631034 1137871139 /nfs/dbraw/zinc/87/11/39/1137871139.db2.gz UHXHTXAQMLUSKU-UHFFFAOYSA-N 1 2 343.471 3.584 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245995 1137875331 /nfs/dbraw/zinc/87/53/31/1137875331.db2.gz KXACXELHKAQCHG-JQWIXIFHSA-N 1 2 327.375 3.978 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245995 1137875332 /nfs/dbraw/zinc/87/53/32/1137875332.db2.gz KXACXELHKAQCHG-JQWIXIFHSA-N 1 2 327.375 3.978 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000103298178 1137875826 /nfs/dbraw/zinc/87/58/26/1137875826.db2.gz GZQKTOKGFZWPDM-ZDUSSCGKSA-N 1 2 332.835 3.644 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)(C)c1ccccc1 ZINC000103314934 1137875961 /nfs/dbraw/zinc/87/59/61/1137875961.db2.gz RIIQXXKBUKHEHV-INIZCTEOSA-N 1 2 340.471 3.596 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cc(-c3ccccc3)on2)C2CC2)cc1 ZINC000348267951 1137889839 /nfs/dbraw/zinc/88/98/39/1137889839.db2.gz BKZVABUJRCWPNM-UHFFFAOYSA-N 1 2 347.418 3.605 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cc(-c3ccccc3)on2)C2CC2)cc1 ZINC000348267951 1137889840 /nfs/dbraw/zinc/88/98/40/1137889840.db2.gz BKZVABUJRCWPNM-UHFFFAOYSA-N 1 2 347.418 3.605 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCN2c3ccccc3C[C@@H]2C)c(C)[nH+]1 ZINC000331371515 1137891528 /nfs/dbraw/zinc/89/15/28/1137891528.db2.gz DRGJBKVHESXSCP-HNNXBMFYSA-N 1 2 338.455 3.580 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1cccc(Cl)c1 ZINC000110113728 1137899286 /nfs/dbraw/zinc/89/92/86/1137899286.db2.gz MVVRDDJUOKSLMV-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1cccc(Cl)c1 ZINC000110113728 1137899287 /nfs/dbraw/zinc/89/92/87/1137899287.db2.gz MVVRDDJUOKSLMV-KGLIPLIRSA-N 1 2 346.862 3.512 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111375700 1137904288 /nfs/dbraw/zinc/90/42/88/1137904288.db2.gz ACRVKAIOJMAFDS-CHWSQXEVSA-N 1 2 347.484 3.782 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000111376426 1137904364 /nfs/dbraw/zinc/90/43/64/1137904364.db2.gz CUFBJCNDAQIGCI-ZIAGYGMSSA-N 1 2 335.517 3.751 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000111376170 1137904370 /nfs/dbraw/zinc/90/43/70/1137904370.db2.gz LZLQDRYDSDLDJH-ZJUUUORDSA-N 1 2 339.411 3.662 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)on1 ZINC000331538417 1137911838 /nfs/dbraw/zinc/91/18/38/1137911838.db2.gz MLMNGQOFGNEZID-PBHICJAKSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)on1 ZINC000331538417 1137911839 /nfs/dbraw/zinc/91/18/39/1137911839.db2.gz MLMNGQOFGNEZID-PBHICJAKSA-N 1 2 347.846 3.627 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681411 1137917069 /nfs/dbraw/zinc/91/70/69/1137917069.db2.gz WFGBUDZOXOFLIQ-CZUORRHYSA-N 1 2 328.460 3.694 20 0 EHADLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000331681411 1137917070 /nfs/dbraw/zinc/91/70/70/1137917070.db2.gz WFGBUDZOXOFLIQ-CZUORRHYSA-N 1 2 328.460 3.694 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776371 1137920062 /nfs/dbraw/zinc/92/00/62/1137920062.db2.gz GQFXDTAUDJOGSO-CHWSQXEVSA-N 1 2 333.436 3.640 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000331776371 1137920063 /nfs/dbraw/zinc/92/00/63/1137920063.db2.gz GQFXDTAUDJOGSO-CHWSQXEVSA-N 1 2 333.436 3.640 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)c1 ZINC000115985311 1137924109 /nfs/dbraw/zinc/92/41/09/1137924109.db2.gz PONXRQPWFYUXJQ-HNNXBMFYSA-N 1 2 341.430 3.631 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331972161 1137927252 /nfs/dbraw/zinc/92/72/52/1137927252.db2.gz RGERJQMZMKURPW-INIZCTEOSA-N 1 2 328.460 3.620 20 0 EHADLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331972161 1137927253 /nfs/dbraw/zinc/92/72/53/1137927253.db2.gz RGERJQMZMKURPW-INIZCTEOSA-N 1 2 328.460 3.620 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332151947 1137933644 /nfs/dbraw/zinc/93/36/44/1137933644.db2.gz INRJUROEONIVKR-TVFCKZIOSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000118830211 1137935607 /nfs/dbraw/zinc/93/56/07/1137935607.db2.gz VDTGVYCUYXXLRN-ZDUSSCGKSA-N 1 2 326.843 3.730 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000118830211 1137935608 /nfs/dbraw/zinc/93/56/08/1137935608.db2.gz VDTGVYCUYXXLRN-ZDUSSCGKSA-N 1 2 326.843 3.730 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000119509693 1137942428 /nfs/dbraw/zinc/94/24/28/1137942428.db2.gz HPWNMFJWDVALOQ-UHFFFAOYSA-N 1 2 348.878 3.546 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(OC)ccc2OCOC)cs1 ZINC000119559966 1137942730 /nfs/dbraw/zinc/94/27/30/1137942730.db2.gz RHNMTXJAGYTUPU-GFCCVEGCSA-N 1 2 336.457 3.548 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332455318 1137944405 /nfs/dbraw/zinc/94/44/05/1137944405.db2.gz UOQHXIHSBWTDKT-HNNXBMFYSA-N 1 2 341.459 3.666 20 0 EHADLO Cc1nc(N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000120353568 1137948808 /nfs/dbraw/zinc/94/88/08/1137948808.db2.gz LZGFVXKPRXLUJT-KUHUBIRLSA-N 1 2 327.428 3.522 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cs1 ZINC000120442780 1137949788 /nfs/dbraw/zinc/94/97/88/1137949788.db2.gz OGFTZXNKFYGZPS-QGZVFWFLSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cs1 ZINC000120442780 1137949789 /nfs/dbraw/zinc/94/97/89/1137949789.db2.gz OGFTZXNKFYGZPS-QGZVFWFLSA-N 1 2 344.484 3.628 20 0 EHADLO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000885242818 1137991373 /nfs/dbraw/zinc/99/13/73/1137991373.db2.gz QKMKHCYAKPECMK-INIZCTEOSA-N 1 2 337.876 3.681 20 0 EHADLO CC(C)(C)OCc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000885618036 1138012297 /nfs/dbraw/zinc/01/22/97/1138012297.db2.gz KTFDLJMUCZUWSV-UHFFFAOYSA-N 1 2 341.455 3.716 20 0 EHADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000055032055 1138052428 /nfs/dbraw/zinc/05/24/28/1138052428.db2.gz DEPQEZBIJWWCLQ-UHFFFAOYSA-N 1 2 344.846 3.521 20 0 EHADLO COc1cc(C)ccc1Oc1ccccc1C[NH2+]Cc1nonc1C ZINC000886183529 1138056704 /nfs/dbraw/zinc/05/67/04/1138056704.db2.gz HEMAQUXEUGPDLO-UHFFFAOYSA-N 1 2 339.395 3.777 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OCc2ccccn2)onc1C1CC1 ZINC000886271917 1138063159 /nfs/dbraw/zinc/06/31/59/1138063159.db2.gz AQNJREIDMVZYPB-UHFFFAOYSA-N 1 2 335.407 3.816 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cn3ccccc3n2)cc1OC(F)F ZINC000058518009 1138063952 /nfs/dbraw/zinc/06/39/52/1138063952.db2.gz HKKZBLSSYVDGKF-UHFFFAOYSA-N 1 2 347.365 3.576 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3n2)cc1OC(F)F ZINC000058518009 1138063954 /nfs/dbraw/zinc/06/39/54/1138063954.db2.gz HKKZBLSSYVDGKF-UHFFFAOYSA-N 1 2 347.365 3.576 20 0 EHADLO c1csc(C[N@H+](Cc2cn3ccccc3n2)C[C@H]2CCCO2)c1 ZINC000066696055 1138077316 /nfs/dbraw/zinc/07/73/16/1138077316.db2.gz JFJZUPLABHOCRM-MRXNPFEDSA-N 1 2 327.453 3.577 20 0 EHADLO c1csc(C[N@@H+](Cc2cn3ccccc3n2)C[C@H]2CCCO2)c1 ZINC000066696055 1138077318 /nfs/dbraw/zinc/07/73/18/1138077318.db2.gz JFJZUPLABHOCRM-MRXNPFEDSA-N 1 2 327.453 3.577 20 0 EHADLO O=C(CCOc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069533784 1138089423 /nfs/dbraw/zinc/08/94/23/1138089423.db2.gz PTYCTJDAGZOZOI-UHFFFAOYSA-N 1 2 345.468 3.537 20 0 EHADLO CO[C@@H]1CCC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000886584613 1138099337 /nfs/dbraw/zinc/09/93/37/1138099337.db2.gz SBMVIOORBXXSDX-DLBZAZTESA-N 1 2 329.444 3.722 20 0 EHADLO CC(C)CNC(=O)c1cccc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000072662675 1138107003 /nfs/dbraw/zinc/10/70/03/1138107003.db2.gz FUDVKXJJKARJCA-UHFFFAOYSA-N 1 2 331.485 3.554 20 0 EHADLO CCSCC[C@@H](C)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000073865619 1138116342 /nfs/dbraw/zinc/11/63/42/1138116342.db2.gz SZSPDSACRPPCSM-OAHLLOKOSA-N 1 2 346.500 3.545 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)s3)C2)n1 ZINC000886691621 1138116742 /nfs/dbraw/zinc/11/67/42/1138116742.db2.gz IYYDHVXPLJHVEW-CYBMUJFWSA-N 1 2 336.530 3.881 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nnc(C(C)C)s3)C2)n1 ZINC000886691621 1138116743 /nfs/dbraw/zinc/11/67/43/1138116743.db2.gz IYYDHVXPLJHVEW-CYBMUJFWSA-N 1 2 336.530 3.881 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nccn1C(F)F ZINC000076647900 1138133201 /nfs/dbraw/zinc/13/32/01/1138133201.db2.gz RVMXOLFFEGXEPB-UHFFFAOYSA-N 1 2 329.778 3.833 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nccn1C(F)F ZINC000076647900 1138133204 /nfs/dbraw/zinc/13/32/04/1138133204.db2.gz RVMXOLFFEGXEPB-UHFFFAOYSA-N 1 2 329.778 3.833 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001137230282 1138147001 /nfs/dbraw/zinc/14/70/01/1138147001.db2.gz OKNREDQQOMVFLU-OAHLLOKOSA-N 1 2 345.874 3.625 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001137230282 1138147002 /nfs/dbraw/zinc/14/70/02/1138147002.db2.gz OKNREDQQOMVFLU-OAHLLOKOSA-N 1 2 345.874 3.625 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(F)(F)F)n2)C1 ZINC000079701239 1138157860 /nfs/dbraw/zinc/15/78/60/1138157860.db2.gz IYADXDDJOGFJSN-SNVBAGLBSA-N 1 2 335.395 3.656 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(F)(F)F)n2)C1 ZINC000079701239 1138157861 /nfs/dbraw/zinc/15/78/61/1138157861.db2.gz IYADXDDJOGFJSN-SNVBAGLBSA-N 1 2 335.395 3.656 20 0 EHADLO CC(C)[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000080059015 1138160477 /nfs/dbraw/zinc/16/04/77/1138160477.db2.gz RMIVZUJWINJFFK-LJQANCHMSA-N 1 2 325.456 3.830 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2Cl)cc1O ZINC000080963213 1138165312 /nfs/dbraw/zinc/16/53/12/1138165312.db2.gz ZHZVIBJKDXEMOE-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Cl)cc1O ZINC000080963213 1138165313 /nfs/dbraw/zinc/16/53/13/1138165313.db2.gz ZHZVIBJKDXEMOE-GFCCVEGCSA-N 1 2 348.830 3.513 20 0 EHADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3ncc(C(C)(C)C)o3)[nH+]c12 ZINC000085225753 1138183616 /nfs/dbraw/zinc/18/36/16/1138183616.db2.gz NOOPQSHPBVTWFX-OZAJXLCCSA-N 1 2 345.468 3.938 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233402 1138186237 /nfs/dbraw/zinc/18/62/37/1138186237.db2.gz HUMSFGMATCSRTB-CABCVRRESA-N 1 2 342.439 3.691 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233402 1138186238 /nfs/dbraw/zinc/18/62/38/1138186238.db2.gz HUMSFGMATCSRTB-CABCVRRESA-N 1 2 342.439 3.691 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)o1 ZINC000091728174 1138221023 /nfs/dbraw/zinc/22/10/23/1138221023.db2.gz PGZGQTVRICUFNZ-DYVFJYSZSA-N 1 2 342.443 3.540 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000092075993 1138224565 /nfs/dbraw/zinc/22/45/65/1138224565.db2.gz GUNPBDJPPUTHLF-MRXNPFEDSA-N 1 2 343.496 3.504 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000092075993 1138224567 /nfs/dbraw/zinc/22/45/67/1138224567.db2.gz GUNPBDJPPUTHLF-MRXNPFEDSA-N 1 2 343.496 3.504 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)s1 ZINC000092593367 1138229633 /nfs/dbraw/zinc/22/96/33/1138229633.db2.gz DNZUHSLJROFTDS-CQSZACIVSA-N 1 2 337.514 3.624 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@H](c3cccs3)C2)s1 ZINC000092593367 1138229635 /nfs/dbraw/zinc/22/96/35/1138229635.db2.gz DNZUHSLJROFTDS-CQSZACIVSA-N 1 2 337.514 3.624 20 0 EHADLO OCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)o1 ZINC000093005155 1138233361 /nfs/dbraw/zinc/23/33/61/1138233361.db2.gz XUXBVYISSBSILD-QGZVFWFLSA-N 1 2 339.395 3.549 20 0 EHADLO OCc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)o1 ZINC000093005155 1138233364 /nfs/dbraw/zinc/23/33/64/1138233364.db2.gz XUXBVYISSBSILD-QGZVFWFLSA-N 1 2 339.395 3.549 20 0 EHADLO CC(C)Cc1ncc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)s1 ZINC000093413664 1138237541 /nfs/dbraw/zinc/23/75/41/1138237541.db2.gz RGUXBOJJFWVVED-MRXNPFEDSA-N 1 2 344.528 3.615 20 0 EHADLO CC(C)Cc1ncc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)s1 ZINC000093413664 1138237543 /nfs/dbraw/zinc/23/75/43/1138237543.db2.gz RGUXBOJJFWVVED-MRXNPFEDSA-N 1 2 344.528 3.615 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)C[C@H](c2ccsc2)O1 ZINC000093768889 1138240719 /nfs/dbraw/zinc/24/07/19/1138240719.db2.gz BXQUNRQVHUPBCW-CRAIPNDOSA-N 1 2 343.496 3.705 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H](c2ccsc2)O1 ZINC000093768889 1138240720 /nfs/dbraw/zinc/24/07/20/1138240720.db2.gz BXQUNRQVHUPBCW-CRAIPNDOSA-N 1 2 343.496 3.705 20 0 EHADLO Fc1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000093842482 1138241782 /nfs/dbraw/zinc/24/17/82/1138241782.db2.gz XHVUWKFHTVCZPU-HNNXBMFYSA-N 1 2 343.389 3.654 20 0 EHADLO Cc1cnccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121727385 1138249187 /nfs/dbraw/zinc/24/91/87/1138249187.db2.gz SBJVOXKVWKFTQE-MOPGFXCFSA-N 1 2 347.422 3.637 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCC1 ZINC000121903772 1138251971 /nfs/dbraw/zinc/25/19/71/1138251971.db2.gz QRESZLVVQAOLHA-UHFFFAOYSA-N 1 2 330.457 3.555 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCC1 ZINC000121903772 1138251974 /nfs/dbraw/zinc/25/19/74/1138251974.db2.gz QRESZLVVQAOLHA-UHFFFAOYSA-N 1 2 330.457 3.555 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000122808751 1138262710 /nfs/dbraw/zinc/26/27/10/1138262710.db2.gz VZPSMTBWFPUNLY-KDOFPFPSSA-N 1 2 345.512 3.994 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000123396447 1138270019 /nfs/dbraw/zinc/27/00/19/1138270019.db2.gz VPUNJOCSTCRCME-XJKSGUPXSA-N 1 2 325.437 3.821 20 0 EHADLO CC(C)(C)[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000333311895 1138276018 /nfs/dbraw/zinc/27/60/18/1138276018.db2.gz NQUQYGINXSXHHJ-GDBMZVCRSA-N 1 2 338.455 3.557 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000333391318 1138284669 /nfs/dbraw/zinc/28/46/69/1138284669.db2.gz ZHHFQJXTXQAIEY-HNNXBMFYSA-N 1 2 345.516 3.997 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333391318 1138284676 /nfs/dbraw/zinc/28/46/76/1138284676.db2.gz ZHHFQJXTXQAIEY-HNNXBMFYSA-N 1 2 345.516 3.997 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333391318 1138284679 /nfs/dbraw/zinc/28/46/79/1138284679.db2.gz ZHHFQJXTXQAIEY-HNNXBMFYSA-N 1 2 345.516 3.997 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124474217 1138287354 /nfs/dbraw/zinc/28/73/54/1138287354.db2.gz DEBHLCUYYAAETF-QGZVFWFLSA-N 1 2 348.450 3.615 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000125312496 1138305467 /nfs/dbraw/zinc/30/54/67/1138305467.db2.gz WPZUPBUGZRROMG-UHFFFAOYSA-N 1 2 328.416 3.541 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000127829830 1138372546 /nfs/dbraw/zinc/37/25/46/1138372546.db2.gz ARONZQJPWNTWLA-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000127829830 1138372548 /nfs/dbraw/zinc/37/25/48/1138372548.db2.gz ARONZQJPWNTWLA-ZDUSSCGKSA-N 1 2 349.837 3.526 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127967906 1138376212 /nfs/dbraw/zinc/37/62/12/1138376212.db2.gz YLEUAZVIGBJWKT-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127967906 1138376217 /nfs/dbraw/zinc/37/62/17/1138376217.db2.gz YLEUAZVIGBJWKT-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128462100 1138390105 /nfs/dbraw/zinc/39/01/05/1138390105.db2.gz CDWRKMIAMXLMJU-NVXWUHKLSA-N 1 2 342.443 3.785 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000128637313 1138394746 /nfs/dbraw/zinc/39/47/46/1138394746.db2.gz DCDKSDJDZWQNNY-AWEZNQCLSA-N 1 2 339.464 3.748 20 0 EHADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263955528 1138397371 /nfs/dbraw/zinc/39/73/71/1138397371.db2.gz SBKHUSCHSDOWQA-NSHDSACASA-N 1 2 341.308 3.587 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263975086 1138399967 /nfs/dbraw/zinc/39/99/67/1138399967.db2.gz YSMWNTOYXHXNHE-IBGZPJMESA-N 1 2 348.450 3.695 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000264105810 1138419905 /nfs/dbraw/zinc/41/99/05/1138419905.db2.gz IINQWVCSBHLCCM-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000129907407 1138427231 /nfs/dbraw/zinc/42/72/31/1138427231.db2.gz VEUSSMFWLAACSV-ZIAGYGMSSA-N 1 2 334.510 3.819 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336931947 1138429877 /nfs/dbraw/zinc/42/98/77/1138429877.db2.gz CBJFKKZZKFYLHG-NVXWUHKLSA-N 1 2 344.434 3.779 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000264173962 1138433942 /nfs/dbraw/zinc/43/39/42/1138433942.db2.gz KHEZLTYGELJOBY-UHFFFAOYSA-N 1 2 333.382 3.523 20 0 EHADLO O=C(CC1CC(c2ccccc2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336965918 1138436875 /nfs/dbraw/zinc/43/68/75/1138436875.db2.gz JWAXBZCZOBRUNK-OUNSHVDWSA-N 1 2 336.435 3.645 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCCCCC2)c1)[NH+]1CCOCC1 ZINC000264209285 1138443783 /nfs/dbraw/zinc/44/37/83/1138443783.db2.gz GRIBYBPQRSNVNX-QGZVFWFLSA-N 1 2 345.487 3.878 20 0 EHADLO CCCc1occc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000337092928 1138464994 /nfs/dbraw/zinc/46/49/94/1138464994.db2.gz LYKNVPSKCUTBPT-UHFFFAOYSA-N 1 2 346.858 3.674 20 0 EHADLO CCCc1occc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000337092928 1138464996 /nfs/dbraw/zinc/46/49/96/1138464996.db2.gz LYKNVPSKCUTBPT-UHFFFAOYSA-N 1 2 346.858 3.674 20 0 EHADLO Fc1cccc([C@@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)c1 ZINC000264303369 1138468344 /nfs/dbraw/zinc/46/83/44/1138468344.db2.gz WIKVQYCXLPVOJW-CYBMUJFWSA-N 1 2 329.400 3.927 20 0 EHADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)c1 ZINC000264303369 1138468347 /nfs/dbraw/zinc/46/83/47/1138468347.db2.gz WIKVQYCXLPVOJW-CYBMUJFWSA-N 1 2 329.400 3.927 20 0 EHADLO C[C@@H](c1cccc(NC(=O)Nc2ccccc2F)c1)[NH+]1CCOCC1 ZINC000264321304 1138475221 /nfs/dbraw/zinc/47/52/21/1138475221.db2.gz PMXKRMGVTXAUAD-AWEZNQCLSA-N 1 2 343.402 3.863 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337135007 1138475857 /nfs/dbraw/zinc/47/58/57/1138475857.db2.gz NHGOSKOJYDJWID-VPWXQRGCSA-N 1 2 329.488 3.608 20 0 EHADLO CCCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000337143188 1138478201 /nfs/dbraw/zinc/47/82/01/1138478201.db2.gz YCIYDKQQXOFDKU-MRXNPFEDSA-N 1 2 329.488 3.896 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000337157513 1138481879 /nfs/dbraw/zinc/48/18/79/1138481879.db2.gz QKVDEFPGRJNNGX-CVEARBPZSA-N 1 2 331.504 3.998 20 0 EHADLO O=C([C@H]1CC12CCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337164111 1138483195 /nfs/dbraw/zinc/48/31/95/1138483195.db2.gz WPSICYVBYCNKGK-DOTOQJQBSA-N 1 2 327.472 3.506 20 0 EHADLO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(F)ccc1F ZINC000337177816 1138486929 /nfs/dbraw/zinc/48/69/29/1138486929.db2.gz JVWRJEIMNIZNHO-QGZVFWFLSA-N 1 2 328.366 3.786 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1 ZINC000337226177 1138500664 /nfs/dbraw/zinc/50/06/64/1138500664.db2.gz QRWSQWOZXRXYLS-LLVKDONJSA-N 1 2 342.468 3.995 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131258587 1138505118 /nfs/dbraw/zinc/50/51/18/1138505118.db2.gz DVGNEEAQNKVQJY-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131258587 1138505121 /nfs/dbraw/zinc/50/51/21/1138505121.db2.gz DVGNEEAQNKVQJY-GOSISDBHSA-N 1 2 342.439 3.764 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337259935 1138511853 /nfs/dbraw/zinc/51/18/53/1138511853.db2.gz WLJGDYHBHIGNKU-UHFFFAOYSA-N 1 2 349.409 3.532 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(Cl)c1F ZINC000132453299 1138582001 /nfs/dbraw/zinc/58/20/01/1138582001.db2.gz GPQRKBACCQPKGR-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)ccc1OC ZINC000337561867 1138606638 /nfs/dbraw/zinc/60/66/38/1138606638.db2.gz VVSIVXJEBGHSSP-AWEZNQCLSA-N 1 2 336.867 3.936 20 0 EHADLO Oc1ccc(CCCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000337599250 1138617354 /nfs/dbraw/zinc/61/73/54/1138617354.db2.gz ICSRDDYSAHKXFI-UHFFFAOYSA-N 1 2 345.406 3.566 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264730818 1138619797 /nfs/dbraw/zinc/61/97/97/1138619797.db2.gz NPDYGGULBNYJDL-AWEZNQCLSA-N 1 2 328.416 3.610 20 0 EHADLO O=C(c1cccc(C2CCC2)c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337610372 1138620400 /nfs/dbraw/zinc/62/04/00/1138620400.db2.gz XXRRVSQUQUIOMW-FQEVSTJZSA-N 1 2 338.426 3.880 20 0 EHADLO O=C(Nc1ccc2scnc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337620347 1138623784 /nfs/dbraw/zinc/62/37/84/1138623784.db2.gz FSOMNWGFJAVJKS-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO C[C@@H](O)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000264783725 1138638647 /nfs/dbraw/zinc/63/86/47/1138638647.db2.gz RGQLQLAHYKOXSX-LLVKDONJSA-N 1 2 335.245 3.595 20 0 EHADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc(F)c1F ZINC000133619824 1138647485 /nfs/dbraw/zinc/64/74/85/1138647485.db2.gz CDSWPDNEJUOYRA-CYBMUJFWSA-N 1 2 348.397 3.612 20 0 EHADLO CCC1(Cc2ccccc2)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000337938821 1138702344 /nfs/dbraw/zinc/70/23/44/1138702344.db2.gz KTTDWGWHOVFHNR-UHFFFAOYSA-N 1 2 335.455 3.603 20 0 EHADLO Cc1nc(-c2ccc([C@@H](C)NC(=O)CCn3cc[nH+]c3)cc2)cs1 ZINC000338037301 1138730283 /nfs/dbraw/zinc/73/02/83/1138730283.db2.gz AGMLENWMPKOAGH-CYBMUJFWSA-N 1 2 340.452 3.583 20 0 EHADLO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1noc(C(C)C)n1 ZINC000136243146 1138791904 /nfs/dbraw/zinc/79/19/04/1138791904.db2.gz DNYBRNULRIBFTR-MRXNPFEDSA-N 1 2 338.839 3.579 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000338251168 1138801182 /nfs/dbraw/zinc/80/11/82/1138801182.db2.gz DEYMMBYMUQAPHR-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000338251168 1138801186 /nfs/dbraw/zinc/80/11/86/1138801186.db2.gz DEYMMBYMUQAPHR-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO C[C@H](CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000137097790 1138833999 /nfs/dbraw/zinc/83/39/99/1138833999.db2.gz AOABMOWJTCPGSY-QGZVFWFLSA-N 1 2 337.467 3.882 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000265384665 1138844072 /nfs/dbraw/zinc/84/40/72/1138844072.db2.gz RVERYQAVEXGQLW-ZDUSSCGKSA-N 1 2 338.455 3.803 20 0 EHADLO CC(C)c1nn(C)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338367217 1138861624 /nfs/dbraw/zinc/86/16/24/1138861624.db2.gz ARHQWWYLOUZGMT-UHFFFAOYSA-N 1 2 343.818 3.635 20 0 EHADLO CSc1cccc(N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338379070 1138872384 /nfs/dbraw/zinc/87/23/84/1138872384.db2.gz YBOJSELAYJFFJH-UHFFFAOYSA-N 1 2 337.448 3.930 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1c[nH]c2ncccc12 ZINC000338394571 1138885748 /nfs/dbraw/zinc/88/57/48/1138885748.db2.gz WHXFMHKRYYFJLH-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338492898 1138940006 /nfs/dbraw/zinc/94/00/06/1138940006.db2.gz PNETVVCDLGBOFI-LJQANCHMSA-N 1 2 346.434 3.667 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000152832943 1139110677 /nfs/dbraw/zinc/11/06/77/1139110677.db2.gz YBWUIZJQXHEBHV-UZLBHIALSA-N 1 2 345.446 3.733 20 0 EHADLO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000153012363 1139118431 /nfs/dbraw/zinc/11/84/31/1139118431.db2.gz LSBIKTOYPIIUSC-GOSISDBHSA-N 1 2 342.487 3.671 20 0 EHADLO CC(C)c1ccc([C@H]([NH2+]Cc2ncnn2C)c2cccs2)cc1 ZINC000153403606 1139134996 /nfs/dbraw/zinc/13/49/96/1139134996.db2.gz NXDZOLBLTVRZRS-SFHVURJKSA-N 1 2 326.469 3.879 20 0 EHADLO CN(Cc1cccs1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889562570 1139235030 /nfs/dbraw/zinc/23/50/30/1139235030.db2.gz DKOQBUGIPLDISM-SHTZXODSSA-N 1 2 344.484 3.708 20 0 EHADLO Cc1cc(NC(=O)c2sc(Cl)nc2C(F)(F)F)c(C)c[nH+]1 ZINC000889792885 1139268769 /nfs/dbraw/zinc/26/87/69/1139268769.db2.gz QPPQBLFLEJQKPK-UHFFFAOYSA-N 1 2 335.738 3.501 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@H]1CCC(F)(F)C1 ZINC000890000107 1139298368 /nfs/dbraw/zinc/29/83/68/1139298368.db2.gz LXBYRYXQWMJEFF-GDBMZVCRSA-N 1 2 347.409 3.873 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CCC=CCCC1 ZINC000890050301 1139306989 /nfs/dbraw/zinc/30/69/89/1139306989.db2.gz ULGAJYYJBYLKEP-SFHVURJKSA-N 1 2 337.467 3.727 20 0 EHADLO CCC1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCC(F)(F)CC1 ZINC000826683451 1139313700 /nfs/dbraw/zinc/31/37/00/1139313700.db2.gz WZUABOQRESZEQV-INIZCTEOSA-N 1 2 336.426 3.895 20 0 EHADLO CCC1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCC(F)(F)CC1 ZINC000826683451 1139313707 /nfs/dbraw/zinc/31/37/07/1139313707.db2.gz WZUABOQRESZEQV-INIZCTEOSA-N 1 2 336.426 3.895 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(C)(C)C1 ZINC000890245981 1139329978 /nfs/dbraw/zinc/32/99/78/1139329978.db2.gz DOSHWLGOIPDIRX-GOSISDBHSA-N 1 2 340.471 3.845 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000826696016 1139364819 /nfs/dbraw/zinc/36/48/19/1139364819.db2.gz LKOHETLECXSAQC-QGZVFWFLSA-N 1 2 330.378 3.715 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000826696016 1139364824 /nfs/dbraw/zinc/36/48/24/1139364824.db2.gz LKOHETLECXSAQC-QGZVFWFLSA-N 1 2 330.378 3.715 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448955 1139421182 /nfs/dbraw/zinc/42/11/82/1139421182.db2.gz VBWOBXKORXMVBZ-MLGOLLRUSA-N 1 2 344.459 3.594 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448955 1139421183 /nfs/dbraw/zinc/42/11/83/1139421183.db2.gz VBWOBXKORXMVBZ-MLGOLLRUSA-N 1 2 344.459 3.594 20 0 EHADLO C[N@H+](CCC(=O)Nc1ccccc1)Cc1nc(C(F)(F)F)cs1 ZINC000174964571 1139453677 /nfs/dbraw/zinc/45/36/77/1139453677.db2.gz ZNQVVZIGQHKUGZ-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1nc(C(F)(F)F)cs1 ZINC000174964571 1139453681 /nfs/dbraw/zinc/45/36/81/1139453681.db2.gz ZNQVVZIGQHKUGZ-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccn1C ZINC000175173615 1139470016 /nfs/dbraw/zinc/47/00/16/1139470016.db2.gz ZGJLFAQUYVKSNO-UHFFFAOYSA-N 1 2 339.361 3.505 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccn1C ZINC000175173615 1139470019 /nfs/dbraw/zinc/47/00/19/1139470019.db2.gz ZGJLFAQUYVKSNO-UHFFFAOYSA-N 1 2 339.361 3.505 20 0 EHADLO CCO[C@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1(CC)CC ZINC000777290267 1139473033 /nfs/dbraw/zinc/47/30/33/1139473033.db2.gz MNSVZHBKEHQAEF-CVEARBPZSA-N 1 2 338.517 3.703 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cs1 ZINC000175230123 1139473676 /nfs/dbraw/zinc/47/36/76/1139473676.db2.gz DQMYSHFYTRPUBD-ZDUSSCGKSA-N 1 2 332.469 3.968 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cs1 ZINC000175230123 1139473686 /nfs/dbraw/zinc/47/36/86/1139473686.db2.gz DQMYSHFYTRPUBD-ZDUSSCGKSA-N 1 2 332.469 3.968 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)cc1F ZINC000176099612 1139539109 /nfs/dbraw/zinc/53/91/09/1139539109.db2.gz ZVOVYDOHCUPEJE-UHFFFAOYSA-N 1 2 345.393 3.589 20 0 EHADLO CC(C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)=C1CCCC1 ZINC000176656943 1139571813 /nfs/dbraw/zinc/57/18/13/1139571813.db2.gz DTUYHEBEWZJSMV-UHFFFAOYSA-N 1 2 328.456 3.656 20 0 EHADLO CC(C)n1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000177157836 1139600342 /nfs/dbraw/zinc/60/03/42/1139600342.db2.gz OGJBECTZVMEZHT-LJQANCHMSA-N 1 2 339.439 3.793 20 0 EHADLO CC(C)n1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000177157836 1139600347 /nfs/dbraw/zinc/60/03/47/1139600347.db2.gz OGJBECTZVMEZHT-LJQANCHMSA-N 1 2 339.439 3.793 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000178098090 1139670114 /nfs/dbraw/zinc/67/01/14/1139670114.db2.gz GGTCEGSYWGHSMY-QGZVFWFLSA-N 1 2 332.411 3.576 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178423325 1139694257 /nfs/dbraw/zinc/69/42/57/1139694257.db2.gz AHBDGAPJJLVKTM-JOCHJYFZSA-N 1 2 337.872 3.718 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178423325 1139694261 /nfs/dbraw/zinc/69/42/61/1139694261.db2.gz AHBDGAPJJLVKTM-JOCHJYFZSA-N 1 2 337.872 3.718 20 0 EHADLO CC(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178568910 1139704767 /nfs/dbraw/zinc/70/47/67/1139704767.db2.gz KKOWPAFAOGIVMT-ZDUSSCGKSA-N 1 2 347.846 3.610 20 0 EHADLO CC(=O)N1CCC[N@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178568910 1139704772 /nfs/dbraw/zinc/70/47/72/1139704772.db2.gz KKOWPAFAOGIVMT-ZDUSSCGKSA-N 1 2 347.846 3.610 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@@H]2c2sccc2C)c1C ZINC000178649380 1139708952 /nfs/dbraw/zinc/70/89/52/1139708952.db2.gz TWIQPVAODYQKCW-GJZGRUSLSA-N 1 2 344.480 3.839 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@@H]2c2sccc2C)c1C ZINC000178649402 1139709119 /nfs/dbraw/zinc/70/91/19/1139709119.db2.gz TWIQPVAODYQKCW-LSDHHAIUSA-N 1 2 344.480 3.839 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1OC ZINC000179634988 1139770860 /nfs/dbraw/zinc/77/08/60/1139770860.db2.gz QYLNCASIYGSWBF-GFCCVEGCSA-N 1 2 343.383 3.506 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Cl)cc1F ZINC000180264817 1139822209 /nfs/dbraw/zinc/82/22/09/1139822209.db2.gz AWFDLAZXFJPTML-KRWDZBQOSA-N 1 2 336.842 3.894 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000180965795 1139875636 /nfs/dbraw/zinc/87/56/36/1139875636.db2.gz ZCXXOADWPWHWTJ-NSHDSACASA-N 1 2 343.349 3.985 20 0 EHADLO Cc1ccccc1OCCC[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181128588 1139887314 /nfs/dbraw/zinc/88/73/14/1139887314.db2.gz PQMZTYUSJYZYEH-UHFFFAOYSA-N 1 2 340.471 3.700 20 0 EHADLO Cc1ccccc1OCCC[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181128588 1139887323 /nfs/dbraw/zinc/88/73/23/1139887323.db2.gz PQMZTYUSJYZYEH-UHFFFAOYSA-N 1 2 340.471 3.700 20 0 EHADLO Cc1ccc(C[C@H](C)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000181583675 1139917447 /nfs/dbraw/zinc/91/74/47/1139917447.db2.gz SWSRMSDXGAXQKO-KRWDZBQOSA-N 1 2 325.456 3.577 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000181934722 1139940921 /nfs/dbraw/zinc/94/09/21/1139940921.db2.gz BDTHAMJROOMTFW-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1ccc(F)c(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000181934722 1139940924 /nfs/dbraw/zinc/94/09/24/1139940924.db2.gz BDTHAMJROOMTFW-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182398033 1139969429 /nfs/dbraw/zinc/96/94/29/1139969429.db2.gz FWFOUDPEFBLMOJ-CJNGLKHVSA-N 1 2 347.846 3.659 20 0 EHADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404088 1139970008 /nfs/dbraw/zinc/97/00/08/1139970008.db2.gz XAGLQAXHJAYEGZ-DZGCQCFKSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404088 1139970009 /nfs/dbraw/zinc/97/00/09/1139970009.db2.gz XAGLQAXHJAYEGZ-DZGCQCFKSA-N 1 2 344.484 3.801 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1 ZINC000182470471 1139974381 /nfs/dbraw/zinc/97/43/81/1139974381.db2.gz RICMTIHVCNPCFM-KFYUAXIPSA-N 1 2 335.835 3.917 20 0 EHADLO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000183126743 1140014922 /nfs/dbraw/zinc/01/49/22/1140014922.db2.gz PYERHKVEDSZNCW-LZDDTZTRSA-N 1 2 328.437 3.598 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC12CCCCC2 ZINC000357438255 1140058242 /nfs/dbraw/zinc/05/82/42/1140058242.db2.gz SURVLBHPVPPAKW-QGZVFWFLSA-N 1 2 327.472 3.659 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960731 1140069821 /nfs/dbraw/zinc/06/98/21/1140069821.db2.gz IPJGYNCIBMHDEM-JKSUJKDBSA-N 1 2 337.366 3.542 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960731 1140069826 /nfs/dbraw/zinc/06/98/26/1140069826.db2.gz IPJGYNCIBMHDEM-JKSUJKDBSA-N 1 2 337.366 3.542 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184372463 1140098958 /nfs/dbraw/zinc/09/89/58/1140098958.db2.gz OMSRORQDSXBLKK-LLVKDONJSA-N 1 2 346.481 3.741 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cs1 ZINC000184722246 1140117673 /nfs/dbraw/zinc/11/76/73/1140117673.db2.gz OGKWTWMFDFUBMY-DZGCQCFKSA-N 1 2 329.469 3.723 20 0 EHADLO CC[C@@H]([NH2+]Cc1cccc(OC)n1)c1nc(C(F)(F)F)cs1 ZINC000185923570 1140177307 /nfs/dbraw/zinc/17/73/07/1140177307.db2.gz HNFWMIUNXUNUIX-SNVBAGLBSA-N 1 2 331.363 3.806 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1F ZINC000187094160 1140237968 /nfs/dbraw/zinc/23/79/68/1140237968.db2.gz HTHPRWPWWQRBGP-UHFFFAOYSA-N 1 2 341.835 3.563 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187378159 1140252468 /nfs/dbraw/zinc/25/24/68/1140252468.db2.gz XWGNOATWGQVXLE-UHFFFAOYSA-N 1 2 346.862 3.516 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187604706 1140264535 /nfs/dbraw/zinc/26/45/35/1140264535.db2.gz CZXOWJQFDIALDH-UHFFFAOYSA-N 1 2 341.480 3.856 20 0 EHADLO OCCC[C@H]([NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccccc1 ZINC000188061064 1140282063 /nfs/dbraw/zinc/28/20/63/1140282063.db2.gz ZEEVJGBVPXDSHJ-OALUTQOASA-N 1 2 339.414 3.742 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000188736988 1140306511 /nfs/dbraw/zinc/30/65/11/1140306511.db2.gz DETWCAYQVHISHL-UHFFFAOYSA-N 1 2 343.446 3.510 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N(C)CCCn2cc[nH+]c2)c1C ZINC000188747054 1140307153 /nfs/dbraw/zinc/30/71/53/1140307153.db2.gz CYUVHPZWYMDCMV-UHFFFAOYSA-N 1 2 337.423 3.922 20 0 EHADLO Cc1cccc([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)c1C ZINC000189152852 1140323815 /nfs/dbraw/zinc/32/38/15/1140323815.db2.gz NLNSFGFUKIYOHS-IBGZPJMESA-N 1 2 325.456 3.723 20 0 EHADLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189801689 1140363753 /nfs/dbraw/zinc/36/37/53/1140363753.db2.gz FFFCTWSVGZFFDK-LSDHHAIUSA-N 1 2 343.475 3.989 20 0 EHADLO COc1ccc([C@H](C)C[N@@H+]2CCOC[C@H]2c2nc(C)cs2)cc1 ZINC000190406699 1140402255 /nfs/dbraw/zinc/40/22/55/1140402255.db2.gz PPDWXRKDSVWYEN-DYVFJYSZSA-N 1 2 332.469 3.637 20 0 EHADLO COc1ccc([C@H](C)C[N@H+]2CCOC[C@H]2c2nc(C)cs2)cc1 ZINC000190406699 1140402258 /nfs/dbraw/zinc/40/22/58/1140402258.db2.gz PPDWXRKDSVWYEN-DYVFJYSZSA-N 1 2 332.469 3.637 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)cc(F)c1 ZINC000191918294 1140493747 /nfs/dbraw/zinc/49/37/47/1140493747.db2.gz YXSKOJBJQKUKEG-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192047200 1140499220 /nfs/dbraw/zinc/49/92/20/1140499220.db2.gz NVNYRJNEEBWXOZ-WMLDXEAASA-N 1 2 335.835 3.541 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245858 1140513613 /nfs/dbraw/zinc/51/36/13/1140513613.db2.gz WNJQETQIKDOHDD-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245858 1140513618 /nfs/dbraw/zinc/51/36/18/1140513618.db2.gz WNJQETQIKDOHDD-UHFFFAOYSA-N 1 2 328.843 3.600 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000192781833 1140550879 /nfs/dbraw/zinc/55/08/79/1140550879.db2.gz VHYHWPSWOPVJTE-AWEZNQCLSA-N 1 2 342.365 3.641 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000266517628 1140697248 /nfs/dbraw/zinc/69/72/48/1140697248.db2.gz YVHWBGYGXFSLAK-BXUZGUMPSA-N 1 2 349.887 3.951 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C(C)(C)C1 ZINC000266922544 1140738373 /nfs/dbraw/zinc/73/83/73/1140738373.db2.gz NERFPXXZWICHEE-OAHLLOKOSA-N 1 2 342.443 3.614 20 0 EHADLO c1ccc(NCc2cccc3cccnc32)c(C[NH+]2CCOCC2)c1 ZINC000267252785 1140772773 /nfs/dbraw/zinc/77/27/73/1140772773.db2.gz UTEQSQWXPIFVJE-UHFFFAOYSA-N 1 2 333.435 3.679 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(F)c1 ZINC000267265062 1140773083 /nfs/dbraw/zinc/77/30/83/1140773083.db2.gz PHQCCGWWYZDWFJ-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267341709 1140781101 /nfs/dbraw/zinc/78/11/01/1140781101.db2.gz JXPOTGXYKBZXCY-CQSZACIVSA-N 1 2 327.428 3.607 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267526768 1140799488 /nfs/dbraw/zinc/79/94/88/1140799488.db2.gz XQFYLOHBUJVEMF-ZYHUDNBSSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267526768 1140799493 /nfs/dbraw/zinc/79/94/93/1140799493.db2.gz XQFYLOHBUJVEMF-ZYHUDNBSSA-N 1 2 345.896 3.532 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1Cl ZINC000267625341 1140812746 /nfs/dbraw/zinc/81/27/46/1140812746.db2.gz MHPOEOBOEVFRGS-SNVBAGLBSA-N 1 2 326.849 3.802 20 0 EHADLO O=c1cc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc2sccn21 ZINC000267724595 1140825533 /nfs/dbraw/zinc/82/55/33/1140825533.db2.gz ASVLFBPMABHZQW-MRXNPFEDSA-N 1 2 343.427 3.622 20 0 EHADLO O=c1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc2sccn21 ZINC000267724595 1140825539 /nfs/dbraw/zinc/82/55/39/1140825539.db2.gz ASVLFBPMABHZQW-MRXNPFEDSA-N 1 2 343.427 3.622 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000268118999 1140886150 /nfs/dbraw/zinc/88/61/50/1140886150.db2.gz KXUWWFXTRYAZNF-KRWDZBQOSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1[nH+]cc(CNCc2nnc(C(C)(C)C)s2)n1-c1ccccc1 ZINC000268184001 1140899585 /nfs/dbraw/zinc/89/95/85/1140899585.db2.gz JFIIGDOJYGRJKT-UHFFFAOYSA-N 1 2 341.484 3.620 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000268214041 1140904126 /nfs/dbraw/zinc/90/41/26/1140904126.db2.gz PLEJQLGCINKPLN-UHFFFAOYSA-N 1 2 345.447 3.655 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(F)cccc1F ZINC000268372177 1140928910 /nfs/dbraw/zinc/92/89/10/1140928910.db2.gz VJRZTLKHOSWZPN-WWGRRREGSA-N 1 2 348.397 3.515 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000269467132 1141111872 /nfs/dbraw/zinc/11/18/72/1141111872.db2.gz ZGHKTNITJFJVKT-OLZOCXBDSA-N 1 2 331.485 3.831 20 0 EHADLO CC(C)c1ccccc1OCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000269724211 1141138339 /nfs/dbraw/zinc/13/83/39/1141138339.db2.gz CXIFYQIEFPLUBV-UHFFFAOYSA-N 1 2 341.455 3.639 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000269931272 1141159658 /nfs/dbraw/zinc/15/96/58/1141159658.db2.gz NAMAKTYVOHDVEN-CYBMUJFWSA-N 1 2 326.227 3.892 20 0 EHADLO COc1cc(Cl)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000269931272 1141159660 /nfs/dbraw/zinc/15/96/60/1141159660.db2.gz NAMAKTYVOHDVEN-CYBMUJFWSA-N 1 2 326.227 3.892 20 0 EHADLO Cc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)nc(C2CC2)[nH+]1 ZINC000270153511 1141185346 /nfs/dbraw/zinc/18/53/46/1141185346.db2.gz IAWDLDUQBRZDLC-MRXNPFEDSA-N 1 2 333.439 3.681 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000271200451 1141323464 /nfs/dbraw/zinc/32/34/64/1141323464.db2.gz WHPZSLXWTUJCQB-UHFFFAOYSA-N 1 2 342.405 3.765 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)[nH]1 ZINC000271441830 1141367515 /nfs/dbraw/zinc/36/75/15/1141367515.db2.gz FGLOOJPJKJPSSW-VHSXEESVSA-N 1 2 328.338 3.678 20 0 EHADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)CCn1cc[nH+]c1 ZINC000274290129 1141493942 /nfs/dbraw/zinc/49/39/42/1141493942.db2.gz CDFWZBCYJRWFJL-UHFFFAOYSA-N 1 2 337.423 3.530 20 0 EHADLO COc1ccc(S[C@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000339118785 1141502610 /nfs/dbraw/zinc/50/26/10/1141502610.db2.gz ZYABEWDSWAIUMO-CYBMUJFWSA-N 1 2 341.436 3.771 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553146 1141550993 /nfs/dbraw/zinc/55/09/93/1141550993.db2.gz NQKPWUOVKNVPDG-PXNSSMCTSA-N 1 2 339.483 3.868 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553146 1141550996 /nfs/dbraw/zinc/55/09/96/1141550996.db2.gz NQKPWUOVKNVPDG-PXNSSMCTSA-N 1 2 339.483 3.868 20 0 EHADLO COC1CCC(C)(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000348748778 1141574602 /nfs/dbraw/zinc/57/46/02/1141574602.db2.gz TUGAXCURIALYCM-UHFFFAOYSA-N 1 2 341.455 3.506 20 0 EHADLO C[N@H+](Cc1ccc(Cl)nc1Cl)[C@@H](CCO)c1ccccc1 ZINC000283276489 1141582742 /nfs/dbraw/zinc/58/27/42/1141582742.db2.gz WVZSITKIFSQOIJ-AWEZNQCLSA-N 1 2 325.239 3.944 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)nc1Cl)[C@@H](CCO)c1ccccc1 ZINC000283276489 1141582747 /nfs/dbraw/zinc/58/27/47/1141582747.db2.gz WVZSITKIFSQOIJ-AWEZNQCLSA-N 1 2 325.239 3.944 20 0 EHADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@H]1C1CCCC1 ZINC000056831580 214390555 /nfs/dbraw/zinc/39/05/55/214390555.db2.gz MUDNWAGIILPWIQ-INIZCTEOSA-N 1 2 346.862 3.852 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)Sc2[nH+]cc3ccccn32)c1 ZINC000026371095 212516234 /nfs/dbraw/zinc/51/62/34/212516234.db2.gz HZDPPIDGVWSKSM-ZDUSSCGKSA-N 1 2 339.420 3.656 20 0 EHADLO CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022337231 212292459 /nfs/dbraw/zinc/29/24/59/212292459.db2.gz SQGNETKFPNXNSE-IBGZPJMESA-N 1 2 328.843 3.594 20 0 EHADLO COc1cc(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1 ZINC000229856548 242208755 /nfs/dbraw/zinc/20/87/55/242208755.db2.gz KSVYCJYJDGXJDW-SREVYHEPSA-N 1 2 326.396 3.676 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccccc1F ZINC000123276866 222247727 /nfs/dbraw/zinc/24/77/27/222247727.db2.gz YNHRWCVVSZIVPB-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccccc1F ZINC000123276866 222247729 /nfs/dbraw/zinc/24/77/29/222247729.db2.gz YNHRWCVVSZIVPB-ZDUSSCGKSA-N 1 2 325.387 3.645 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2nc(-c3ccccc3)cs2)c2ccccc2C1 ZINC000363382292 523886074 /nfs/dbraw/zinc/88/60/74/523886074.db2.gz SJWUVCRJOIIETE-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO C[N@H+]1CCN(C(=O)c2nc(-c3ccccc3)cs2)c2ccccc2C1 ZINC000363382292 523886087 /nfs/dbraw/zinc/88/60/87/523886087.db2.gz SJWUVCRJOIIETE-UHFFFAOYSA-N 1 2 349.459 3.902 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088388721 564079043 /nfs/dbraw/zinc/07/90/43/564079043.db2.gz NALGKNOYICXXKB-INIZCTEOSA-N 1 2 336.399 3.559 20 0 EHADLO C(c1nc(C2CCCC2)no1)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328631930 564137074 /nfs/dbraw/zinc/13/70/74/564137074.db2.gz KYQXASYKGCJMOH-MRXNPFEDSA-N 1 2 341.459 3.666 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)o1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556195 598831455 /nfs/dbraw/zinc/83/14/55/598831455.db2.gz OHLPOVANWWPHJT-CYBMUJFWSA-N 1 2 340.431 3.561 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)o1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556195 598831456 /nfs/dbraw/zinc/83/14/56/598831456.db2.gz OHLPOVANWWPHJT-CYBMUJFWSA-N 1 2 340.431 3.561 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(Cl)ccc1Cl ZINC000820431333 599419868 /nfs/dbraw/zinc/41/98/68/599419868.db2.gz DQCSQLISDLQQJI-MRVPVSSYSA-N 1 2 338.198 3.617 20 0 EHADLO C[C@@H](CN(C)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccccc1 ZINC000820252785 599520910 /nfs/dbraw/zinc/52/09/10/599520910.db2.gz DSYJZNWZIQLFPQ-AWEZNQCLSA-N 1 2 344.422 3.655 20 0 EHADLO C[C@H]1c2ccsc2CCN1c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000820825695 606442921 /nfs/dbraw/zinc/44/29/21/606442921.db2.gz BHMDMLXRTGPTPT-NSHDSACASA-N 1 2 348.435 3.600 20 0 EHADLO C[N@H+](Cc1cc(Br)c(Cl)s1)Cc1cccc(=O)[nH]1 ZINC000897392023 1032057452 /nfs/dbraw/zinc/05/74/52/1032057452.db2.gz KAOFZBQSTYPQHU-UHFFFAOYSA-N 1 2 347.665 3.897 20 0 EHADLO C[N@@H+](Cc1cc(Br)c(Cl)s1)Cc1cccc(=O)[nH]1 ZINC000897392023 1032057470 /nfs/dbraw/zinc/05/74/70/1032057470.db2.gz KAOFZBQSTYPQHU-UHFFFAOYSA-N 1 2 347.665 3.897 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000248607395 1032058135 /nfs/dbraw/zinc/05/81/35/1032058135.db2.gz GIXVQLVXPGOQGK-IDCNUPLLSA-N 1 2 348.487 3.504 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000248607395 1032058148 /nfs/dbraw/zinc/05/81/48/1032058148.db2.gz GIXVQLVXPGOQGK-IDCNUPLLSA-N 1 2 348.487 3.504 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nc(Br)cs2)nc1C ZINC000840784250 1026216264 /nfs/dbraw/zinc/21/62/64/1026216264.db2.gz NMIIAQMHQRRIBQ-SNVBAGLBSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1cn2cc(NC(=O)C(C)(C)Oc3ccc(F)cc3)ccc2[nH+]1 ZINC000339268600 1014135382 /nfs/dbraw/zinc/13/53/82/1014135382.db2.gz GTVFCUVRXAYBLE-UHFFFAOYSA-N 1 2 327.359 3.578 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000536666413 1032087320 /nfs/dbraw/zinc/08/73/20/1032087320.db2.gz LOTNBQKRMXTMQH-ZBEGNZNMSA-N 1 2 327.346 3.606 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000536666413 1032087337 /nfs/dbraw/zinc/08/73/37/1032087337.db2.gz LOTNBQKRMXTMQH-ZBEGNZNMSA-N 1 2 327.346 3.606 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339379347 1014298833 /nfs/dbraw/zinc/29/88/33/1014298833.db2.gz SWIZQIJKZYHDMI-TZMCWYRMSA-N 1 2 347.459 3.716 20 0 EHADLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3F)C2)sc1C ZINC000339379347 1014298839 /nfs/dbraw/zinc/29/88/39/1014298839.db2.gz SWIZQIJKZYHDMI-TZMCWYRMSA-N 1 2 347.459 3.716 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1nc(C(F)(F)F)cs1 ZINC000274609889 1014323947 /nfs/dbraw/zinc/32/39/47/1014323947.db2.gz NCOGJZBTSXWBTD-MRVPVSSYSA-N 1 2 330.331 3.741 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)s1 ZINC000579744171 1014362139 /nfs/dbraw/zinc/36/21/39/1014362139.db2.gz WGGXYAQKIGRQCV-VIFPVBQESA-N 1 2 326.263 3.714 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCCC2(CC2)C1 ZINC000667045510 1032091196 /nfs/dbraw/zinc/09/11/96/1032091196.db2.gz IODCCJPOQLYQNJ-INIZCTEOSA-N 1 2 339.439 3.871 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1O ZINC000459417105 1032092583 /nfs/dbraw/zinc/09/25/83/1032092583.db2.gz BVCCJTRQCABKSO-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1O ZINC000459417105 1032092602 /nfs/dbraw/zinc/09/26/02/1032092602.db2.gz BVCCJTRQCABKSO-ZDUSSCGKSA-N 1 2 332.669 3.695 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000339466874 1014528376 /nfs/dbraw/zinc/52/83/76/1014528376.db2.gz OJPNACJDPFXQPM-QGZVFWFLSA-N 1 2 349.434 3.629 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339469339 1014531757 /nfs/dbraw/zinc/53/17/57/1014531757.db2.gz JNTICNCWDMAIPG-RYQLBKOJSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1nc(C(F)(F)F)cs1 ZINC000274680546 1014535944 /nfs/dbraw/zinc/53/59/44/1014535944.db2.gz ZSDKAOCHHSDNKD-SCZZXKLOSA-N 1 2 330.379 3.624 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000654996473 1014764490 /nfs/dbraw/zinc/76/44/90/1014764490.db2.gz VYCYDLLQJSSQKV-KUHUBIRLSA-N 1 2 349.434 3.875 20 0 EHADLO C[C@@H]1C[C@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)[C@@H](C)O1 ZINC000634577953 1014901137 /nfs/dbraw/zinc/90/11/37/1014901137.db2.gz WIIOZEVJIDPPGL-LTDCPUDJSA-N 1 2 349.434 3.982 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)cc1F ZINC000154055537 1014931995 /nfs/dbraw/zinc/93/19/95/1014931995.db2.gz FHOLOJJMSCUFHP-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)cc1F ZINC000154055537 1014932004 /nfs/dbraw/zinc/93/20/04/1014932004.db2.gz FHOLOJJMSCUFHP-INIZCTEOSA-N 1 2 342.349 3.747 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2C)C1 ZINC000728194359 1014940437 /nfs/dbraw/zinc/94/04/37/1014940437.db2.gz LJSAETBFXUYUDN-CVEARBPZSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@H]2C)C1 ZINC000728194359 1014940450 /nfs/dbraw/zinc/94/04/50/1014940450.db2.gz LJSAETBFXUYUDN-CVEARBPZSA-N 1 2 340.492 3.949 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCc1ccccc1 ZINC000536672551 1032107720 /nfs/dbraw/zinc/10/77/20/1032107720.db2.gz SVPVAOHUOJQREM-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1OCc1ccccc1 ZINC000536672551 1032107729 /nfs/dbraw/zinc/10/77/29/1032107729.db2.gz SVPVAOHUOJQREM-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC000430214589 1015020915 /nfs/dbraw/zinc/02/09/15/1015020915.db2.gz BXHNZCOVPBBDET-CQSZACIVSA-N 1 2 339.361 3.618 20 0 EHADLO CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC000430214589 1015020931 /nfs/dbraw/zinc/02/09/31/1015020931.db2.gz BXHNZCOVPBBDET-CQSZACIVSA-N 1 2 339.361 3.618 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)OC(C)(C)C)CC1 ZINC000471159573 1015064646 /nfs/dbraw/zinc/06/46/46/1015064646.db2.gz JPSVIWVIHGKNFW-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)OC(C)(C)C)CC1 ZINC000471159573 1015064660 /nfs/dbraw/zinc/06/46/60/1015064660.db2.gz JPSVIWVIHGKNFW-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(Cl)cn1 ZINC000274794965 1015174937 /nfs/dbraw/zinc/17/49/37/1015174937.db2.gz SSBVPNSSDGXKGM-MJBXVCDLSA-N 1 2 346.862 3.917 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc2ccccc2c1 ZINC001125301070 1015282688 /nfs/dbraw/zinc/28/26/88/1015282688.db2.gz JUJVUWOKYMGIOQ-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO Cc1ccoc1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001266300915 1015328452 /nfs/dbraw/zinc/32/84/52/1015328452.db2.gz XSBHRCXQWPLHGR-UHFFFAOYSA-N 1 2 333.391 3.684 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000404137034 1015438241 /nfs/dbraw/zinc/43/82/41/1015438241.db2.gz DJTGXQDVUWVZLJ-LLVKDONJSA-N 1 2 347.322 3.637 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000404137034 1015438247 /nfs/dbraw/zinc/43/82/47/1015438247.db2.gz DJTGXQDVUWVZLJ-LLVKDONJSA-N 1 2 347.322 3.637 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cnc(CC(C)C)s1)CC2 ZINC000179553801 1015443109 /nfs/dbraw/zinc/44/31/09/1015443109.db2.gz TWHHFTCJCSCXNP-UHFFFAOYSA-N 1 2 346.496 3.917 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cnc(CC(C)C)s1)CC2 ZINC000179553801 1015443113 /nfs/dbraw/zinc/44/31/13/1015443113.db2.gz TWHHFTCJCSCXNP-UHFFFAOYSA-N 1 2 346.496 3.917 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000339681192 1015521212 /nfs/dbraw/zinc/52/12/12/1015521212.db2.gz YUWKDSSJMBJVEQ-UHFFFAOYSA-N 1 2 341.361 3.648 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)c2ccc(F)cc2)c1C ZINC000179688387 1015546631 /nfs/dbraw/zinc/54/66/31/1015546631.db2.gz VDYMHVKPCKCVPF-UHFFFAOYSA-N 1 2 342.414 3.586 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)c2ccc(F)cc2)c1C ZINC000179688387 1015546641 /nfs/dbraw/zinc/54/66/41/1015546641.db2.gz VDYMHVKPCKCVPF-UHFFFAOYSA-N 1 2 342.414 3.586 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4nccc5ccccc54)no3)ccn12 ZINC000904591929 1032127055 /nfs/dbraw/zinc/12/70/55/1032127055.db2.gz LFBDOHSHOMVTCC-UHFFFAOYSA-N 1 2 327.347 3.908 20 0 EHADLO COc1cc(Cl)c(C[NH2+]Cc2ccc(Cl)cn2)cc1OC ZINC000631109096 1015856395 /nfs/dbraw/zinc/85/63/95/1015856395.db2.gz ZTIPONXPSDJBNA-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cocn2)C(C)C)c(Br)c1 ZINC000685652562 1033675558 /nfs/dbraw/zinc/67/55/58/1033675558.db2.gz HCMCEOUDIZGNLT-HNNXBMFYSA-N 1 2 339.233 3.933 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC001167108768 1016049406 /nfs/dbraw/zinc/04/94/06/1016049406.db2.gz IDLIEQZBFRYMAE-HNNXBMFYSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccccc1[C@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC001167108768 1016049418 /nfs/dbraw/zinc/04/94/18/1016049418.db2.gz IDLIEQZBFRYMAE-HNNXBMFYSA-N 1 2 326.444 3.673 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318371 1016051483 /nfs/dbraw/zinc/05/14/83/1016051483.db2.gz FEQSEUHCAPBHQV-FUHWJXTLSA-N 1 2 327.472 3.892 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc[nH]c2C2CC2)c(C)c1 ZINC000339958106 1016068632 /nfs/dbraw/zinc/06/86/32/1016068632.db2.gz DDWWYMKTQWJYMY-IBGZPJMESA-N 1 2 348.450 3.877 20 0 EHADLO CC(C)c1cc(N2CCC(n3cc[nH+]c3)CC2)nc(C(C)(C)C)n1 ZINC001167125727 1016205627 /nfs/dbraw/zinc/20/56/27/1016205627.db2.gz SFPPLIRRSCXDCB-UHFFFAOYSA-N 1 2 327.476 3.936 20 0 EHADLO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@@H+]1C ZINC001594245048 998934817 /nfs/dbraw/zinc/93/48/17/998934817.db2.gz FGRSNPADCYKLDK-CABCVRRESA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[N@H+]1C ZINC001594245048 998934821 /nfs/dbraw/zinc/93/48/21/998934821.db2.gz FGRSNPADCYKLDK-CABCVRRESA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245048 998934822 /nfs/dbraw/zinc/93/48/22/998934822.db2.gz FGRSNPADCYKLDK-CABCVRRESA-N 1 2 342.439 3.559 20 0 EHADLO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[NH+]1C ZINC001594245048 998934825 /nfs/dbraw/zinc/93/48/25/998934825.db2.gz FGRSNPADCYKLDK-CABCVRRESA-N 1 2 342.439 3.559 20 0 EHADLO Cc1nc(N2CCO[C@@](C)(c3ccc(F)cc3)C2)cc(C(C)C)[nH+]1 ZINC001167137464 1016267329 /nfs/dbraw/zinc/26/73/29/1016267329.db2.gz OQYJAIYZMGJFEH-LJQANCHMSA-N 1 2 329.419 3.800 20 0 EHADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000091033475 1016306492 /nfs/dbraw/zinc/30/64/92/1016306492.db2.gz SFULXKSTTXPONH-QGZVFWFLSA-N 1 2 341.798 3.588 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3cn4cccc(F)c4n3)CC2)s1 ZINC000683363880 1016361679 /nfs/dbraw/zinc/36/16/79/1016361679.db2.gz BSLVVCAYOWLGJF-UHFFFAOYSA-N 1 2 330.432 3.618 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc2[nH+]1 ZINC000340150034 1016477668 /nfs/dbraw/zinc/47/76/68/1016477668.db2.gz HHVSPFYIFCVHKR-UHFFFAOYSA-N 1 2 335.816 3.634 20 0 EHADLO COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376567480 1016507881 /nfs/dbraw/zinc/50/78/81/1016507881.db2.gz WOEPFLSTNMPDDW-MRXNPFEDSA-N 1 2 341.455 3.533 20 0 EHADLO CC(C)Oc1ccc(CCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000683383555 1016529953 /nfs/dbraw/zinc/52/99/53/1016529953.db2.gz SWJUAHDJLCHZLH-UHFFFAOYSA-N 1 2 326.444 3.519 20 0 EHADLO CC(C)Oc1ccc(CCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000683383555 1016529963 /nfs/dbraw/zinc/52/99/63/1016529963.db2.gz SWJUAHDJLCHZLH-UHFFFAOYSA-N 1 2 326.444 3.519 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)O1 ZINC000340215079 1016712815 /nfs/dbraw/zinc/71/28/15/1016712815.db2.gz BHFASZBXQNDUSF-SFHVURJKSA-N 1 2 335.407 3.822 20 0 EHADLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)O1 ZINC000340215079 1016712827 /nfs/dbraw/zinc/71/28/27/1016712827.db2.gz BHFASZBXQNDUSF-SFHVURJKSA-N 1 2 335.407 3.822 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)o1 ZINC000340215079 1016712832 /nfs/dbraw/zinc/71/28/32/1016712832.db2.gz BHFASZBXQNDUSF-SFHVURJKSA-N 1 2 335.407 3.822 20 0 EHADLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)o1 ZINC000340215079 1016712839 /nfs/dbraw/zinc/71/28/39/1016712839.db2.gz BHFASZBXQNDUSF-SFHVURJKSA-N 1 2 335.407 3.822 20 0 EHADLO O=C1[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)C[C@H]2CCCCN12 ZINC000413379681 1016738492 /nfs/dbraw/zinc/73/84/92/1016738492.db2.gz MVSCMUGIIRYOKI-QLJPJBMISA-N 1 2 333.794 3.593 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340233073 1016740072 /nfs/dbraw/zinc/74/00/72/1016740072.db2.gz YKHZRJFWSCVVQY-HNNXBMFYSA-N 1 2 333.439 3.517 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340233073 1016740087 /nfs/dbraw/zinc/74/00/87/1016740087.db2.gz YKHZRJFWSCVVQY-HNNXBMFYSA-N 1 2 333.439 3.517 20 0 EHADLO Cc1ccc(F)cc1-c1noc([C@@H]([NH3+])[C@@H](C)OCc2ccccc2)n1 ZINC000706018231 1016843207 /nfs/dbraw/zinc/84/32/07/1016843207.db2.gz YRIGOVQKUJLDRG-DYVFJYSZSA-N 1 2 341.386 3.789 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1cc[nH]n1)OCCO3 ZINC000340288035 1016865288 /nfs/dbraw/zinc/86/52/88/1016865288.db2.gz RMOVPGPVRYYGIV-AWEZNQCLSA-N 1 2 339.439 3.570 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1cc[nH]n1)OCCO3 ZINC000340288035 1016865300 /nfs/dbraw/zinc/86/53/00/1016865300.db2.gz RMOVPGPVRYYGIV-AWEZNQCLSA-N 1 2 339.439 3.570 20 0 EHADLO Brc1ccccc1OCC[N@@H+]1CCOc2ccccc2C1 ZINC001167270662 1016903481 /nfs/dbraw/zinc/90/34/81/1016903481.db2.gz LJRIDTOWFCOAHN-UHFFFAOYSA-N 1 2 348.240 3.723 20 0 EHADLO Brc1ccccc1OCC[N@H+]1CCOc2ccccc2C1 ZINC001167270662 1016903491 /nfs/dbraw/zinc/90/34/91/1016903491.db2.gz LJRIDTOWFCOAHN-UHFFFAOYSA-N 1 2 348.240 3.723 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)cc1F ZINC000376619622 1016943021 /nfs/dbraw/zinc/94/30/21/1016943021.db2.gz YACHVERAIIBFHM-LLVKDONJSA-N 1 2 336.798 3.542 20 0 EHADLO c1ccc2c(c1)O[C@H](c1noc([C@@H]3CC[N@H+]3C3CCCC3)n1)CS2 ZINC000924044649 1017069347 /nfs/dbraw/zinc/06/93/47/1017069347.db2.gz JYYPEHMUZCPJPJ-ZFWWWQNUSA-N 1 2 343.452 3.985 20 0 EHADLO c1ccc2c(c1)O[C@H](c1noc([C@@H]3CC[N@@H+]3C3CCCC3)n1)CS2 ZINC000924044649 1017069361 /nfs/dbraw/zinc/06/93/61/1017069361.db2.gz JYYPEHMUZCPJPJ-ZFWWWQNUSA-N 1 2 343.452 3.985 20 0 EHADLO Cc1cc([C@H]([NH2+]Cc2n[nH]cc2Br)C2CC2)ccc1F ZINC000538115806 1032155131 /nfs/dbraw/zinc/15/51/31/1032155131.db2.gz BXACZMIYSBJYSF-OAHLLOKOSA-N 1 2 338.224 3.861 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000278732961 1032169528 /nfs/dbraw/zinc/16/95/28/1032169528.db2.gz JGKYIEMQDACCNL-QMMMGPOBSA-N 1 2 329.730 3.849 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000278733694 1032171265 /nfs/dbraw/zinc/17/12/65/1032171265.db2.gz LZDZKVUPEPCKQE-SECBINFHSA-N 1 2 332.395 3.964 20 0 EHADLO COCCOc1ncccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449082919 1032173994 /nfs/dbraw/zinc/17/39/94/1032173994.db2.gz QVBNZWUJYJWMHR-UHFFFAOYSA-N 1 2 347.267 3.765 20 0 EHADLO CNc1[nH+]cnc2c1cnn2CCCOc1ccc(C(C)(C)C)cc1 ZINC000538158314 1032181507 /nfs/dbraw/zinc/18/15/07/1032181507.db2.gz QQWOTDBGCVARQB-UHFFFAOYSA-N 1 2 339.443 3.635 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528379485 1032190519 /nfs/dbraw/zinc/19/05/19/1032190519.db2.gz HGKGKDMFYBITDI-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528379485 1032190525 /nfs/dbraw/zinc/19/05/25/1032190525.db2.gz HGKGKDMFYBITDI-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CCCOc1ccc(CNc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000080770888 1032197184 /nfs/dbraw/zinc/19/71/84/1032197184.db2.gz XHTCRTAJOXGHJQ-UHFFFAOYSA-N 1 2 326.400 3.676 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)c(F)c1 ZINC000528395240 1032219547 /nfs/dbraw/zinc/21/95/47/1032219547.db2.gz JUEUXASMQKBZJS-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)c(F)c1 ZINC000528395240 1032219554 /nfs/dbraw/zinc/21/95/54/1032219554.db2.gz JUEUXASMQKBZJS-MRXNPFEDSA-N 1 2 333.794 3.650 20 0 EHADLO CC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2F)C1 ZINC001235729320 1121674643 /nfs/dbraw/zinc/67/46/43/1121674643.db2.gz RMQAZBCOJCNLSA-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2F)C1 ZINC001235729320 1121674647 /nfs/dbraw/zinc/67/46/47/1121674647.db2.gz RMQAZBCOJCNLSA-LBPRGKRZSA-N 1 2 328.225 3.698 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cn21 ZINC000449127114 1032220870 /nfs/dbraw/zinc/22/08/70/1032220870.db2.gz WFHXVALPTFHJRJ-CQSZACIVSA-N 1 2 331.341 3.837 20 0 EHADLO CCOC[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528398389 1032224169 /nfs/dbraw/zinc/22/41/69/1032224169.db2.gz GBJUQGHTYCXFHS-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528398389 1032224180 /nfs/dbraw/zinc/22/41/80/1032224180.db2.gz GBJUQGHTYCXFHS-SNVBAGLBSA-N 1 2 334.204 3.586 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184022080 1032226365 /nfs/dbraw/zinc/22/63/65/1032226365.db2.gz IRWWUXBVYBUPQH-UHFFFAOYSA-N 1 2 338.455 3.697 20 0 EHADLO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000080665020 1032229130 /nfs/dbraw/zinc/22/91/30/1032229130.db2.gz QAVGGHQPFUVJFF-DOTOQJQBSA-N 1 2 344.459 3.611 20 0 EHADLO OC[C@@H]([NH2+]Cc1c(F)cccc1F)c1cccc(Br)c1 ZINC000183910172 1032241751 /nfs/dbraw/zinc/24/17/51/1032241751.db2.gz RVEWLKKKMOVNNK-OAHLLOKOSA-N 1 2 342.183 3.551 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)co1 ZINC000528410982 1032249888 /nfs/dbraw/zinc/24/98/88/1032249888.db2.gz QUPKUNAFGMOGEV-GOSISDBHSA-N 1 2 345.464 3.725 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)co1 ZINC000528410982 1032249897 /nfs/dbraw/zinc/24/98/97/1032249897.db2.gz QUPKUNAFGMOGEV-GOSISDBHSA-N 1 2 345.464 3.725 20 0 EHADLO Cc1nnc(-c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)o1 ZINC000081023637 1032249881 /nfs/dbraw/zinc/24/98/81/1032249881.db2.gz ZXHPTFIABGDTOH-UHFFFAOYSA-N 1 2 345.362 3.687 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc[nH]2)c(-c2ccccc2)cc1OC ZINC000668423398 1032258480 /nfs/dbraw/zinc/25/84/80/1032258480.db2.gz XJJSACGQMVUPHA-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc[nH]2)c(-c2ccccc2)cc1OC ZINC000668423398 1032258493 /nfs/dbraw/zinc/25/84/93/1032258493.db2.gz XJJSACGQMVUPHA-UHFFFAOYSA-N 1 2 337.423 3.726 20 0 EHADLO COC(=O)C1(C[N@@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000459585107 1032285013 /nfs/dbraw/zinc/28/50/13/1032285013.db2.gz BRJBYFUXADJZFI-OAHLLOKOSA-N 1 2 347.846 3.697 20 0 EHADLO COC(=O)C1(C[N@H+]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000459585107 1032285022 /nfs/dbraw/zinc/28/50/22/1032285022.db2.gz BRJBYFUXADJZFI-OAHLLOKOSA-N 1 2 347.846 3.697 20 0 EHADLO COC1(C)CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528437548 1032297739 /nfs/dbraw/zinc/29/77/39/1032297739.db2.gz LOZUHNFBOZFBFO-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000925302970 1032299894 /nfs/dbraw/zinc/29/98/94/1032299894.db2.gz KPPYXEFMHISTIF-AWEZNQCLSA-N 1 2 348.830 3.965 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000485104416 1032307401 /nfs/dbraw/zinc/30/74/01/1032307401.db2.gz UDQZLCBWHQWCIB-QGZVFWFLSA-N 1 2 342.508 3.580 20 0 EHADLO CCC(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459598174 1032318927 /nfs/dbraw/zinc/31/89/27/1032318927.db2.gz VDCMYLIIPMTEGP-OAHLLOKOSA-N 1 2 325.250 3.740 20 0 EHADLO CCC(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459598174 1032318934 /nfs/dbraw/zinc/31/89/34/1032318934.db2.gz VDCMYLIIPMTEGP-OAHLLOKOSA-N 1 2 325.250 3.740 20 0 EHADLO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184844597 1032326286 /nfs/dbraw/zinc/32/62/86/1032326286.db2.gz AJVCOAIYRIXNKT-MRXNPFEDSA-N 1 2 349.434 3.617 20 0 EHADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(Cl)c2ccccc21 ZINC000184867557 1032328403 /nfs/dbraw/zinc/32/84/03/1032328403.db2.gz OUDJWIFGDMHKFN-ZDUSSCGKSA-N 1 2 342.830 3.750 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(Br)c1 ZINC000123394477 1122142538 /nfs/dbraw/zinc/14/25/38/1122142538.db2.gz NJOMPBLBLJNHPX-RYUDHWBXSA-N 1 2 325.250 3.569 20 0 EHADLO C[C@H](CNC(=O)c1cccc(OC2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000081808438 1032368203 /nfs/dbraw/zinc/36/82/03/1032368203.db2.gz BWDAUUKPHQPDGN-MRXNPFEDSA-N 1 2 341.455 3.661 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000118867384 1032427403 /nfs/dbraw/zinc/42/74/03/1032427403.db2.gz CDMWDSINUHXTPN-INIZCTEOSA-N 1 2 328.460 3.770 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000118867384 1032427409 /nfs/dbraw/zinc/42/74/09/1032427409.db2.gz CDMWDSINUHXTPN-INIZCTEOSA-N 1 2 328.460 3.770 20 0 EHADLO Cc1nc2sc3c(c2c(N[C@H](C)Cn2cc[nH+]c2)n1)CCCC3 ZINC000536987427 1032463324 /nfs/dbraw/zinc/46/33/24/1032463324.db2.gz OIEDLPONOZAREV-LLVKDONJSA-N 1 2 327.457 3.576 20 0 EHADLO CSc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)s1 ZINC000449347988 1032464231 /nfs/dbraw/zinc/46/42/31/1032464231.db2.gz SIVVNUNETODYAL-UHFFFAOYSA-N 1 2 330.482 3.608 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000086232822 1032481753 /nfs/dbraw/zinc/48/17/53/1032481753.db2.gz YWTXLCJLCYXUAX-MRXNPFEDSA-N 1 2 348.487 3.661 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000086232822 1032481757 /nfs/dbraw/zinc/48/17/57/1032481757.db2.gz YWTXLCJLCYXUAX-MRXNPFEDSA-N 1 2 348.487 3.661 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1c(F)cccc1F ZINC000537024280 1032489696 /nfs/dbraw/zinc/48/96/96/1032489696.db2.gz FBAAUGVTZADJJV-ZIAGYGMSSA-N 1 2 332.394 3.835 20 0 EHADLO COCCCC1(C[NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)CCC1 ZINC000892380749 1032495671 /nfs/dbraw/zinc/49/56/71/1032495671.db2.gz PHLQJQSNZOBJLV-QGZVFWFLSA-N 1 2 332.488 3.921 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1OCc1cccnc1 ZINC000449415245 1032519749 /nfs/dbraw/zinc/51/97/49/1032519749.db2.gz OGRMZBPRNXGHJW-CYBMUJFWSA-N 1 2 336.382 3.803 20 0 EHADLO CCC(C)(C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000537127755 1032529311 /nfs/dbraw/zinc/52/93/11/1032529311.db2.gz DYXPHYHDMOKEHW-UHFFFAOYSA-N 1 2 329.271 3.877 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449405990 1032529904 /nfs/dbraw/zinc/52/99/04/1032529904.db2.gz QUPFKNVXSJYCCB-UHFFFAOYSA-N 1 2 345.466 3.737 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000528662125 1032548061 /nfs/dbraw/zinc/54/80/61/1032548061.db2.gz XCUJETLHALTGRP-ACJLOTCBSA-N 1 2 334.423 3.922 20 0 EHADLO Cn1ccc([C@H]([NH2+]CCOC2CCCCCC2)c2ccc(F)cc2)n1 ZINC000537193426 1032552630 /nfs/dbraw/zinc/55/26/30/1032552630.db2.gz IUADLIGWESQVFT-HXUWFJFHSA-N 1 2 345.462 3.978 20 0 EHADLO Cc1cc(CNc2cccc(C[S@](C)=O)c2)c2c([nH+]1)CCCC2 ZINC000892382088 1032555279 /nfs/dbraw/zinc/55/52/79/1032555279.db2.gz TZZBSICPNUNDBM-QHCPKHFHSA-N 1 2 328.481 3.759 20 0 EHADLO CCCC(=O)NC[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090088611 1032570211 /nfs/dbraw/zinc/57/02/11/1032570211.db2.gz FVDQPKLPFQQGLH-INIZCTEOSA-N 1 2 346.519 3.856 20 0 EHADLO CC(C)(O)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278769890 1032575378 /nfs/dbraw/zinc/57/53/78/1032575378.db2.gz YEYFPYHHAFRHNQ-UHFFFAOYSA-N 1 2 330.375 3.679 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cc(Br)ccc1F ZINC000090720885 1032591693 /nfs/dbraw/zinc/59/16/93/1032591693.db2.gz PTPSBIHKNZBJGU-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3nn(C)cc3Cl)s2)cc1 ZINC000449479533 1032603080 /nfs/dbraw/zinc/60/30/80/1032603080.db2.gz MGJLCIKRTRULAA-UHFFFAOYSA-N 1 2 332.860 3.795 20 0 EHADLO COc1cccc([C@@H](C)OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000761003628 1032614398 /nfs/dbraw/zinc/61/43/98/1032614398.db2.gz UDOHYMWMANAZPN-HZPDHXFCSA-N 1 2 339.435 3.746 20 0 EHADLO COc1cccc([C@@H](C)OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000761003628 1032614407 /nfs/dbraw/zinc/61/44/07/1032614407.db2.gz UDOHYMWMANAZPN-HZPDHXFCSA-N 1 2 339.435 3.746 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+]Cc3nn(C)cc3Br)cc2c1C ZINC000449483775 1032632581 /nfs/dbraw/zinc/63/25/81/1032632581.db2.gz KMVHXHNHKGTRFO-UHFFFAOYSA-N 1 2 347.260 3.571 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000255597740 1032633290 /nfs/dbraw/zinc/63/32/90/1032633290.db2.gz VGICFZFQRVJCCG-BHEFUSTPSA-N 1 2 341.842 3.533 20 0 EHADLO CC[C@@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(C)cc1 ZINC000606374423 1032658004 /nfs/dbraw/zinc/65/80/04/1032658004.db2.gz WFGBWYVKPLHZJK-KRWDZBQOSA-N 1 2 325.456 3.892 20 0 EHADLO COC(=O)c1csc(C[N@H+](C)[C@H](C)CSc2ccccc2)n1 ZINC000593045037 1032677842 /nfs/dbraw/zinc/67/78/42/1032677842.db2.gz FWRZMLJSNKHHOK-GFCCVEGCSA-N 1 2 336.482 3.542 20 0 EHADLO COC(=O)c1csc(C[N@@H+](C)[C@H](C)CSc2ccccc2)n1 ZINC000593045037 1032677851 /nfs/dbraw/zinc/67/78/51/1032677851.db2.gz FWRZMLJSNKHHOK-GFCCVEGCSA-N 1 2 336.482 3.542 20 0 EHADLO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000376803253 1017122679 /nfs/dbraw/zinc/12/26/79/1017122679.db2.gz VOPGKUQTAUDILS-IPMKNSEASA-N 1 2 348.450 3.730 20 0 EHADLO Cc1cc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nc(C)n1 ZINC000659827383 1017126566 /nfs/dbraw/zinc/12/65/66/1017126566.db2.gz WEJSMBNBGDPHGA-OAHLLOKOSA-N 1 2 344.890 3.626 20 0 EHADLO Cc1ccncc1C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376845949 1017154812 /nfs/dbraw/zinc/15/48/12/1017154812.db2.gz YVLPSWDMEOSZAV-LBPRGKRZSA-N 1 2 328.803 3.944 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)cc1O ZINC000683520532 1017254241 /nfs/dbraw/zinc/25/42/41/1017254241.db2.gz DPRXFGPFHQNBQF-ZDUSSCGKSA-N 1 2 327.428 3.599 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)cc1O ZINC000683520532 1017254249 /nfs/dbraw/zinc/25/42/49/1017254249.db2.gz DPRXFGPFHQNBQF-ZDUSSCGKSA-N 1 2 327.428 3.599 20 0 EHADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528729828 1032697168 /nfs/dbraw/zinc/69/71/68/1032697168.db2.gz DWRURGMTNKMQRX-HXUWFJFHSA-N 1 2 341.455 3.628 20 0 EHADLO CC(C)Cc1noc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528729828 1032697179 /nfs/dbraw/zinc/69/71/79/1032697179.db2.gz DWRURGMTNKMQRX-HXUWFJFHSA-N 1 2 341.455 3.628 20 0 EHADLO Fc1cccc([C@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000091454686 1032697647 /nfs/dbraw/zinc/69/76/47/1032697647.db2.gz IHIJQDYHRWBRGU-QGZVFWFLSA-N 1 2 326.419 3.948 20 0 EHADLO Fc1cccc([C@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000091454686 1032697662 /nfs/dbraw/zinc/69/76/62/1032697662.db2.gz IHIJQDYHRWBRGU-QGZVFWFLSA-N 1 2 326.419 3.948 20 0 EHADLO c1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc(OC2CCCCC2)n1 ZINC000892779235 1017408856 /nfs/dbraw/zinc/40/88/56/1017408856.db2.gz PPCBFKFNWSUPJI-UHFFFAOYSA-N 1 2 344.484 3.812 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1csc(COC)n1 ZINC000088562502 1017446072 /nfs/dbraw/zinc/44/60/72/1017446072.db2.gz GJZQRGSCXFKALI-MRXNPFEDSA-N 1 2 331.485 3.520 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1csc(COC)n1 ZINC000088562502 1017446077 /nfs/dbraw/zinc/44/60/77/1017446077.db2.gz GJZQRGSCXFKALI-MRXNPFEDSA-N 1 2 331.485 3.520 20 0 EHADLO c1cc(OC2CCCCC2)ncc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892805519 1017475785 /nfs/dbraw/zinc/47/57/85/1017475785.db2.gz LXAVRJNEZVFKJC-UHFFFAOYSA-N 1 2 344.484 3.812 20 0 EHADLO CC[C@H](C)n1ncc(C(=O)OCc2cccc3[nH+]ccn32)c1C1CC1 ZINC000761007968 1032706726 /nfs/dbraw/zinc/70/67/26/1032706726.db2.gz KSFGGYUIUCVXRQ-ZDUSSCGKSA-N 1 2 338.411 3.736 20 0 EHADLO O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574062133 1032710605 /nfs/dbraw/zinc/71/06/05/1032710605.db2.gz JMRVVMGNCJGUAC-JCHJZTRSSA-N 1 2 328.456 3.668 20 0 EHADLO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)cc1 ZINC000655796434 1017630607 /nfs/dbraw/zinc/63/06/07/1017630607.db2.gz HQNYPRAWMDOFGC-ARFHVFGLSA-N 1 2 346.862 3.736 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCC2 ZINC000655797482 1017636827 /nfs/dbraw/zinc/63/68/27/1017636827.db2.gz OKOMQBUMABJCNX-JKSUJKDBSA-N 1 2 346.862 3.867 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cscc2-c2ccccc2)C1 ZINC000377325569 1017648485 /nfs/dbraw/zinc/64/84/85/1017648485.db2.gz YZYKGTCZNIVKDG-HNNXBMFYSA-N 1 2 337.448 3.778 20 0 EHADLO COc1c(C)cccc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000655809583 1017661329 /nfs/dbraw/zinc/66/13/29/1017661329.db2.gz ARDABLXANHVVCW-HNNXBMFYSA-N 1 2 336.439 3.744 20 0 EHADLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000377381561 1017723370 /nfs/dbraw/zinc/72/33/70/1017723370.db2.gz IWVUNMOAHYKEDY-XLKFXECMSA-N 1 2 326.165 3.793 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000377394975 1017746460 /nfs/dbraw/zinc/74/64/60/1017746460.db2.gz ZKKPEVJWZLNYSZ-JSGCOSHPSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000377394975 1017746471 /nfs/dbraw/zinc/74/64/71/1017746471.db2.gz ZKKPEVJWZLNYSZ-JSGCOSHPSA-N 1 2 332.245 3.790 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)c(OC[C@H]2CCCO2)c1 ZINC000091736176 1032720166 /nfs/dbraw/zinc/72/01/66/1032720166.db2.gz WGIHZWFGZVWEAP-GOEBONIOSA-N 1 2 332.469 3.860 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1OCC ZINC000377400819 1017758896 /nfs/dbraw/zinc/75/88/96/1017758896.db2.gz HDYQFYMQLCROKK-UHFFFAOYSA-N 1 2 330.428 3.641 20 0 EHADLO COc1cc(Cl)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000377428965 1017790521 /nfs/dbraw/zinc/79/05/21/1017790521.db2.gz CPQJZVURAFSGJU-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO COc1cc(Cl)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000377428965 1017790528 /nfs/dbraw/zinc/79/05/28/1017790528.db2.gz CPQJZVURAFSGJU-UHFFFAOYSA-N 1 2 348.834 3.792 20 0 EHADLO c1cn(-c2ccc(CN3CCCC[C@@H]3c3noc(C4CC4)n3)cc2)c[nH+]1 ZINC000377492433 1017901327 /nfs/dbraw/zinc/90/13/27/1017901327.db2.gz VLMQBKUFISROAM-GOSISDBHSA-N 1 2 349.438 3.860 20 0 EHADLO C[C@H]1CCC[C@H](CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000341029106 1017928865 /nfs/dbraw/zinc/92/88/65/1017928865.db2.gz VANUISHNMQRKAB-IRXDYDNUSA-N 1 2 330.472 3.674 20 0 EHADLO Brc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000070395954 1017929833 /nfs/dbraw/zinc/92/98/33/1017929833.db2.gz ZJZQELVWVNBJOY-UHFFFAOYSA-N 1 2 347.260 3.842 20 0 EHADLO CCC[N@H+](CC(=O)OCC)Cc1cn(C)nc1-c1ccccc1Cl ZINC000511524946 1017939323 /nfs/dbraw/zinc/93/93/23/1017939323.db2.gz SVFJVRMXBYCSFV-UHFFFAOYSA-N 1 2 349.862 3.516 20 0 EHADLO CCC[N@@H+](CC(=O)OCC)Cc1cn(C)nc1-c1ccccc1Cl ZINC000511524946 1017939334 /nfs/dbraw/zinc/93/93/34/1017939334.db2.gz SVFJVRMXBYCSFV-UHFFFAOYSA-N 1 2 349.862 3.516 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccc(F)c1 ZINC000377547241 1017971617 /nfs/dbraw/zinc/97/16/17/1017971617.db2.gz BTQWWCOUFQWKIV-PXAZEXFGSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccc(F)c1 ZINC000377547241 1017971626 /nfs/dbraw/zinc/97/16/26/1017971626.db2.gz BTQWWCOUFQWKIV-PXAZEXFGSA-N 1 2 348.443 3.911 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381658 1018010912 /nfs/dbraw/zinc/01/09/12/1018010912.db2.gz HNFKOTXETDOFBA-ZANVPECISA-N 1 2 328.309 3.762 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625381658 1018010925 /nfs/dbraw/zinc/01/09/25/1018010925.db2.gz HNFKOTXETDOFBA-ZANVPECISA-N 1 2 328.309 3.762 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000613675172 1018013512 /nfs/dbraw/zinc/01/35/12/1018013512.db2.gz GKMMJFGPPJSHAH-OASPWFOLSA-N 1 2 338.238 3.708 20 0 EHADLO Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374457055 1018044760 /nfs/dbraw/zinc/04/47/60/1018044760.db2.gz BWPIUHHBZFTNQD-CVTTXWKISA-N 1 2 349.478 3.947 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)nn1 ZINC000377625528 1018080629 /nfs/dbraw/zinc/08/06/29/1018080629.db2.gz MUURLBGZVJLEIB-MGPUTAFESA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)nn1 ZINC000377625528 1018080646 /nfs/dbraw/zinc/08/06/46/1018080646.db2.gz MUURLBGZVJLEIB-MGPUTAFESA-N 1 2 333.439 3.554 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cscc1Br ZINC000377621477 1018082924 /nfs/dbraw/zinc/08/29/24/1018082924.db2.gz XGPAMLXLPMRBHD-ZDUSSCGKSA-N 1 2 340.290 3.754 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cscc1Br ZINC000377621477 1018082958 /nfs/dbraw/zinc/08/29/58/1018082958.db2.gz XGPAMLXLPMRBHD-ZDUSSCGKSA-N 1 2 340.290 3.754 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc([C@@H]4CCc5ccccc5C4)no3)ccn12 ZINC000655987172 1018130096 /nfs/dbraw/zinc/13/00/96/1018130096.db2.gz JHERMNKBBKOHJQ-MRXNPFEDSA-N 1 2 330.391 3.965 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377657196 1018133731 /nfs/dbraw/zinc/13/37/31/1018133731.db2.gz UFLDVAQCSJPMOV-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377657196 1018133739 /nfs/dbraw/zinc/13/37/39/1018133739.db2.gz UFLDVAQCSJPMOV-MJGOQNOKSA-N 1 2 330.472 3.638 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066796033 1018166619 /nfs/dbraw/zinc/16/66/19/1018166619.db2.gz BXENBJATFYHFJB-INIZCTEOSA-N 1 2 328.485 3.976 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066796033 1018166622 /nfs/dbraw/zinc/16/66/22/1018166622.db2.gz BXENBJATFYHFJB-INIZCTEOSA-N 1 2 328.485 3.976 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569890 1018233354 /nfs/dbraw/zinc/23/33/54/1018233354.db2.gz VLLCEPNGABGYRG-YESZJQIVSA-N 1 2 347.503 3.948 20 0 EHADLO CCC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569890 1018233364 /nfs/dbraw/zinc/23/33/64/1018233364.db2.gz VLLCEPNGABGYRG-YESZJQIVSA-N 1 2 347.503 3.948 20 0 EHADLO Cc1nc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)cs1 ZINC000656026611 1018267543 /nfs/dbraw/zinc/26/75/43/1018267543.db2.gz MPPDKPNDUBLILL-CYBMUJFWSA-N 1 2 334.832 3.806 20 0 EHADLO Cn1nncc1C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000092045388 1032756475 /nfs/dbraw/zinc/75/64/75/1032756475.db2.gz XZQRCLYOCKLCEM-UHFFFAOYSA-N 1 2 349.276 3.522 20 0 EHADLO Cn1nncc1C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000092045388 1032756489 /nfs/dbraw/zinc/75/64/89/1032756489.db2.gz XZQRCLYOCKLCEM-UHFFFAOYSA-N 1 2 349.276 3.522 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000042863073 1018372092 /nfs/dbraw/zinc/37/20/92/1018372092.db2.gz MIWCHMSPMWWRAY-HOTGVXAUSA-N 1 2 345.487 3.750 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460738514 1018451648 /nfs/dbraw/zinc/45/16/48/1018451648.db2.gz UUHBXODDMNCCRM-GHTZIAJQSA-N 1 2 347.462 3.804 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1F ZINC000025431066 1018454393 /nfs/dbraw/zinc/45/43/93/1018454393.db2.gz FXLHYRAWTGSEBV-MRXNPFEDSA-N 1 2 333.407 3.751 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1F ZINC000025431066 1018454397 /nfs/dbraw/zinc/45/43/97/1018454397.db2.gz FXLHYRAWTGSEBV-MRXNPFEDSA-N 1 2 333.407 3.751 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000606582574 1032766499 /nfs/dbraw/zinc/76/64/99/1032766499.db2.gz VKSVYWALEVJPRE-GOSISDBHSA-N 1 2 332.363 3.838 20 0 EHADLO O=C(NCCSc1ccc(Cl)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582733 1032766925 /nfs/dbraw/zinc/76/69/25/1032766925.db2.gz BCHLUNJWSWQQBC-UHFFFAOYSA-N 1 2 346.843 3.902 20 0 EHADLO O=C(NCCCSc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582038 1032767437 /nfs/dbraw/zinc/76/74/37/1032767437.db2.gz AIGKUXNNJJYHDD-UHFFFAOYSA-N 1 2 326.425 3.638 20 0 EHADLO CC(C)[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1 ZINC000606583478 1032768245 /nfs/dbraw/zinc/76/82/45/1032768245.db2.gz CPFWRWCWUMTBPQ-KRWDZBQOSA-N 1 2 326.375 3.992 20 0 EHADLO CC(C)=CCOc1cccc(CC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000415777837 1018506237 /nfs/dbraw/zinc/50/62/37/1018506237.db2.gz FWATWBOIYBTRKX-UHFFFAOYSA-N 1 2 338.451 3.902 20 0 EHADLO CC(C)c1nc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131897 1018518714 /nfs/dbraw/zinc/51/87/14/1018518714.db2.gz CTZMEYKBCZDKFZ-FUHWJXTLSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)no1 ZINC000051131897 1018518726 /nfs/dbraw/zinc/51/87/26/1018518726.db2.gz CTZMEYKBCZDKFZ-FUHWJXTLSA-N 1 2 329.444 3.793 20 0 EHADLO OCCC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000580047933 1018545587 /nfs/dbraw/zinc/54/55/87/1018545587.db2.gz YSJZBHDDGKWZJI-UHFFFAOYSA-N 1 2 335.245 3.596 20 0 EHADLO COCCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](C)c1ccccc1 ZINC000606583725 1032770915 /nfs/dbraw/zinc/77/09/15/1032770915.db2.gz LPWSBMRFDMZUPG-OAHLLOKOSA-N 1 2 338.411 3.576 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3ccc(OC(C)C)cc3)ccc2[nH+]1 ZINC000340592055 1018607557 /nfs/dbraw/zinc/60/75/57/1018607557.db2.gz HIJPISZMFQURAZ-UHFFFAOYSA-N 1 2 338.411 3.752 20 0 EHADLO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)oc2c1c(C)ccc2C ZINC000056380858 1018622132 /nfs/dbraw/zinc/62/21/32/1018622132.db2.gz BFVWLSRXVLRSAK-UHFFFAOYSA-N 1 2 349.434 3.715 20 0 EHADLO Cc1[nH]c(CNCc2cc(Cl)ccc2Br)[nH+]c1C ZINC000580097468 1018636011 /nfs/dbraw/zinc/63/60/11/1018636011.db2.gz OLDQHQPULLNMRJ-UHFFFAOYSA-N 1 2 328.641 3.732 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CCO1 ZINC000556496651 1018660235 /nfs/dbraw/zinc/66/02/35/1018660235.db2.gz AICZZWYUISCHIC-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CCO1 ZINC000556496651 1018660240 /nfs/dbraw/zinc/66/02/40/1018660240.db2.gz AICZZWYUISCHIC-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2csc(C)n2)c(C(F)(F)F)c1 ZINC000894166596 1018841099 /nfs/dbraw/zinc/84/10/99/1018841099.db2.gz YNOBMWPUSHVMNP-UHFFFAOYSA-N 1 2 344.358 3.547 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ccccc21 ZINC000683845774 1018858522 /nfs/dbraw/zinc/85/85/22/1018858522.db2.gz FKRGXJWMNMTFKX-CVEARBPZSA-N 1 2 336.439 3.722 20 0 EHADLO C[NH+](C)Cc1csc(CNC(=O)C2CC(C)(C)CC(C)(C)C2)n1 ZINC000927764325 1018934835 /nfs/dbraw/zinc/93/48/35/1018934835.db2.gz WNIDJWJCBPFTTP-UHFFFAOYSA-N 1 2 337.533 3.673 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccoc1 ZINC000345090894 1018937779 /nfs/dbraw/zinc/93/77/79/1018937779.db2.gz MAUUVUGGCPAFIJ-LJQANCHMSA-N 1 2 340.448 3.679 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccoc1 ZINC000345090894 1018937793 /nfs/dbraw/zinc/93/77/93/1018937793.db2.gz MAUUVUGGCPAFIJ-LJQANCHMSA-N 1 2 340.448 3.679 20 0 EHADLO CC[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1c(C)nn(C)c1C ZINC000754430080 1019004491 /nfs/dbraw/zinc/00/44/91/1019004491.db2.gz CVWRQBIWFSTAHJ-JTQLQIEISA-N 1 2 347.331 3.973 20 0 EHADLO CC(C)Sc1ccccc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771459 1019039198 /nfs/dbraw/zinc/03/91/98/1019039198.db2.gz KPTOKGHCOCWOSL-UHFFFAOYSA-N 1 2 349.525 3.635 20 0 EHADLO O=C(N1CC[NH+](Cc2cccs2)CC1)C1(c2ccccc2)CCC1 ZINC000052610781 1019104029 /nfs/dbraw/zinc/10/40/29/1019104029.db2.gz RVBDHLJMMNAFAE-UHFFFAOYSA-N 1 2 340.492 3.514 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1Oc1ccccc1Cl ZINC000052357059 1019110765 /nfs/dbraw/zinc/11/07/65/1019110765.db2.gz MVWXJJMRGYZZGJ-UHFFFAOYSA-N 1 2 327.771 3.968 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1SC(F)(F)F ZINC000047864114 1019168127 /nfs/dbraw/zinc/16/81/27/1019168127.db2.gz ZGVVADAGJSRBQA-JTQLQIEISA-N 1 2 344.362 3.705 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449565101 1032816510 /nfs/dbraw/zinc/81/65/10/1032816510.db2.gz GSJIFLRKQVEZEY-OAHLLOKOSA-N 1 2 340.496 3.996 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000729251193 1019248794 /nfs/dbraw/zinc/24/87/94/1019248794.db2.gz NUJSWCGDESELQI-IYKSTZQJSA-N 1 2 344.455 3.806 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528786583 1032818839 /nfs/dbraw/zinc/81/88/39/1032818839.db2.gz GJHBLKSLDHRCPO-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528786583 1032818855 /nfs/dbraw/zinc/81/88/55/1032818855.db2.gz GJHBLKSLDHRCPO-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(-c2cccnc2)cc1 ZINC000548091883 1019270818 /nfs/dbraw/zinc/27/08/18/1019270818.db2.gz HUFCJODKFBEKEA-KBXCAEBGSA-N 1 2 346.434 3.769 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528786111 1032820402 /nfs/dbraw/zinc/82/04/02/1032820402.db2.gz ASXGVEFYVMWSGO-OAHLLOKOSA-N 1 2 342.424 3.544 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528786111 1032820422 /nfs/dbraw/zinc/82/04/22/1032820422.db2.gz ASXGVEFYVMWSGO-OAHLLOKOSA-N 1 2 342.424 3.544 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC1(C2CCCCC2)CC1 ZINC000891275565 1019309405 /nfs/dbraw/zinc/30/94/05/1019309405.db2.gz NDSCKWXLQFWNCW-CYBMUJFWSA-N 1 2 329.366 3.606 20 0 EHADLO O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926691 1019315270 /nfs/dbraw/zinc/31/52/70/1019315270.db2.gz QBMOZARVZCDYGW-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO COC(=O)c1cnc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)s1 ZINC000894212458 1019343459 /nfs/dbraw/zinc/34/34/59/1019343459.db2.gz AXVXBPVXTAZBQQ-UHFFFAOYSA-N 1 2 348.468 3.535 20 0 EHADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000548097220 1019393493 /nfs/dbraw/zinc/39/34/93/1019393493.db2.gz IBWLZMPQEOKIGA-NXEZZACHSA-N 1 2 337.395 3.510 20 0 EHADLO CC(C)N(C(=O)C[N@H+](C)Cc1csc(Br)c1)C(C)C ZINC000053340860 1019409202 /nfs/dbraw/zinc/40/92/02/1019409202.db2.gz PCOBKGMYXFGFLB-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO CC(C)N(C(=O)C[N@@H+](C)Cc1csc(Br)c1)C(C)C ZINC000053340860 1019409208 /nfs/dbraw/zinc/40/92/08/1019409208.db2.gz PCOBKGMYXFGFLB-UHFFFAOYSA-N 1 2 347.322 3.588 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)s1 ZINC000129853480 1019428425 /nfs/dbraw/zinc/42/84/25/1019428425.db2.gz JPZMXWVVAWVJPK-CYBMUJFWSA-N 1 2 334.510 3.945 20 0 EHADLO C[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)Cn1cc[nH+]c1 ZINC000153398781 1019447885 /nfs/dbraw/zinc/44/78/85/1019447885.db2.gz HFFHEUBRZNVTMA-HNNXBMFYSA-N 1 2 345.874 3.801 20 0 EHADLO CC1(C)CC[N@H+](Cc2cnc(-c3ccsc3)s2)CC[S@@]1=O ZINC000449573194 1032831381 /nfs/dbraw/zinc/83/13/81/1032831381.db2.gz RDOSVXLQFBUAFJ-NRFANRHFSA-N 1 2 340.539 3.605 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[S@@]1=O ZINC000449573194 1032831397 /nfs/dbraw/zinc/83/13/97/1032831397.db2.gz RDOSVXLQFBUAFJ-NRFANRHFSA-N 1 2 340.539 3.605 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433628902 1019466345 /nfs/dbraw/zinc/46/63/45/1019466345.db2.gz PYXHXZQLDXOFCW-QZTJIDSGSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433628902 1019466353 /nfs/dbraw/zinc/46/63/53/1019466353.db2.gz PYXHXZQLDXOFCW-QZTJIDSGSA-N 1 2 340.471 3.781 20 0 EHADLO O=C(c1ccsc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614480480 1019483677 /nfs/dbraw/zinc/48/36/77/1019483677.db2.gz AVYAKMLVWLZRHF-LBPRGKRZSA-N 1 2 349.887 3.954 20 0 EHADLO COc1cc2ccccc2cc1C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449575174 1032834481 /nfs/dbraw/zinc/83/44/81/1032834481.db2.gz KVOPJKDJFXKUIV-HSZRJFAPSA-N 1 2 331.481 3.581 20 0 EHADLO COc1cc2ccccc2cc1C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449575174 1032834496 /nfs/dbraw/zinc/83/44/96/1032834496.db2.gz KVOPJKDJFXKUIV-HSZRJFAPSA-N 1 2 331.481 3.581 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000580501139 1019501831 /nfs/dbraw/zinc/50/18/31/1019501831.db2.gz PVFFUSTWLVBGIC-SJLPKXTDSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000580501139 1019501842 /nfs/dbraw/zinc/50/18/42/1019501842.db2.gz PVFFUSTWLVBGIC-SJLPKXTDSA-N 1 2 348.874 3.620 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528799248 1032839845 /nfs/dbraw/zinc/83/98/45/1032839845.db2.gz BJRAKJKIOCCJLW-UHFFFAOYSA-N 1 2 337.423 3.667 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528799248 1032839866 /nfs/dbraw/zinc/83/98/66/1032839866.db2.gz BJRAKJKIOCCJLW-UHFFFAOYSA-N 1 2 337.423 3.667 20 0 EHADLO O=c1[nH]c(C[NH+]2CCC(F)(c3ccccc3)CC2)nc2ccccc21 ZINC000683997149 1019695140 /nfs/dbraw/zinc/69/51/40/1019695140.db2.gz FVUJHRWSMZXJMP-UHFFFAOYSA-N 1 2 337.398 3.796 20 0 EHADLO COC[C@H]1C[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@@H](C)O1 ZINC000656258499 1019725298 /nfs/dbraw/zinc/72/52/98/1019725298.db2.gz TZUMUWTXGPXWBT-NVXWUHKLSA-N 1 2 346.496 3.663 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C[C@@H](C)O1 ZINC000656258499 1019725310 /nfs/dbraw/zinc/72/53/10/1019725310.db2.gz TZUMUWTXGPXWBT-NVXWUHKLSA-N 1 2 346.496 3.663 20 0 EHADLO CCN(C)c1ccc(Nc2cc(Br)cnc2F)c[nH+]1 ZINC001211272329 1019899151 /nfs/dbraw/zinc/89/91/51/1019899151.db2.gz PRJZSIJYNJITMJ-UHFFFAOYSA-N 1 2 325.185 3.578 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(cccc3F)s2)c1C ZINC000050449459 1019926782 /nfs/dbraw/zinc/92/67/82/1019926782.db2.gz TXBKVIHYWGAKSB-UHFFFAOYSA-N 1 2 344.411 3.991 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)c1C ZINC000050447917 1019931510 /nfs/dbraw/zinc/93/15/10/1019931510.db2.gz NWGJTCKQTAOAOY-UHFFFAOYSA-N 1 2 338.451 3.672 20 0 EHADLO CCOc1cccc(C[N@H+](C)Cc2csc(Br)c2)n1 ZINC000352384841 1019940575 /nfs/dbraw/zinc/94/05/75/1019940575.db2.gz ZOSTWTLBACMTFK-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CCOc1cccc(C[N@@H+](C)Cc2csc(Br)c2)n1 ZINC000352384841 1019940587 /nfs/dbraw/zinc/94/05/87/1019940587.db2.gz ZOSTWTLBACMTFK-UHFFFAOYSA-N 1 2 341.274 3.936 20 0 EHADLO CCSc1ccc([C@H](C)[NH2+]Cc2ncc(C(=O)OC)s2)cc1 ZINC000894236727 1019946947 /nfs/dbraw/zinc/94/69/47/1019946947.db2.gz WUKPQEIOSCZJBP-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)[nH+]c12 ZINC000580752718 1019981825 /nfs/dbraw/zinc/98/18/25/1019981825.db2.gz CRNFJYPFHIFYSJ-DLBZAZTESA-N 1 2 339.826 3.511 20 0 EHADLO Cc1cn2c([nH+]1)[C@H](CNc1cncc(OCC3CCCC3)n1)CCC2 ZINC000345182997 1020035216 /nfs/dbraw/zinc/03/52/16/1020035216.db2.gz UAKFVJBJQUJYNL-INIZCTEOSA-N 1 2 341.459 3.540 20 0 EHADLO CCCOc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000048123480 1020092171 /nfs/dbraw/zinc/09/21/71/1020092171.db2.gz BPSNBUFCNADKRZ-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000476115989 1032876027 /nfs/dbraw/zinc/87/60/27/1032876027.db2.gz ABVHFERAROLPEM-BBRMVZONSA-N 1 2 347.409 3.708 20 0 EHADLO Cc1nc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc(C)c1CC(C)C ZINC000345307238 1020144577 /nfs/dbraw/zinc/14/45/77/1020144577.db2.gz MJEXKZGJSQUGRS-KSSFIOAISA-N 1 2 327.476 3.576 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2cnc(CC)o2)c1OC(F)F ZINC000449611808 1032879136 /nfs/dbraw/zinc/87/91/36/1032879136.db2.gz YSCWEVIAYANDMU-UHFFFAOYSA-N 1 2 326.343 3.527 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000580862275 1020155511 /nfs/dbraw/zinc/15/55/11/1020155511.db2.gz OWVIWZDPDFIPRS-SWLSCSKDSA-N 1 2 343.818 3.595 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000580862275 1020155520 /nfs/dbraw/zinc/15/55/20/1020155520.db2.gz OWVIWZDPDFIPRS-SWLSCSKDSA-N 1 2 343.818 3.595 20 0 EHADLO C[C@H](c1ccco1)[N@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C1CC1 ZINC000602454480 1032883629 /nfs/dbraw/zinc/88/36/29/1032883629.db2.gz MHXUFZJXFBMUJH-CYBMUJFWSA-N 1 2 345.443 3.694 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C1CC1 ZINC000602454480 1032883646 /nfs/dbraw/zinc/88/36/46/1032883646.db2.gz MHXUFZJXFBMUJH-CYBMUJFWSA-N 1 2 345.443 3.694 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345427261 1020241621 /nfs/dbraw/zinc/24/16/21/1020241621.db2.gz XSLOILDZEAFZHS-YLJYHZDGSA-N 1 2 329.488 3.608 20 0 EHADLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccccc2C(F)(F)F)on1 ZINC000602436522 1032886185 /nfs/dbraw/zinc/88/61/85/1032886185.db2.gz POQAYIMLKABGKZ-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)on1 ZINC000602436522 1032886188 /nfs/dbraw/zinc/88/61/88/1032886188.db2.gz POQAYIMLKABGKZ-UHFFFAOYSA-N 1 2 342.317 3.502 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000345468015 1020280896 /nfs/dbraw/zinc/28/08/96/1020280896.db2.gz YGKFMBZSIYLAPQ-KRWDZBQOSA-N 1 2 344.842 3.981 20 0 EHADLO CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000255913291 1020292566 /nfs/dbraw/zinc/29/25/66/1020292566.db2.gz KLXAYNFPSAPCLY-WCIBSUBMSA-N 1 2 346.390 3.687 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(F)c1 ZINC000580955379 1020306892 /nfs/dbraw/zinc/30/68/92/1020306892.db2.gz ZCEDXEKRCAALSO-ZAMGYDSWSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(F)c1 ZINC000580955379 1020306905 /nfs/dbraw/zinc/30/69/05/1020306905.db2.gz ZCEDXEKRCAALSO-ZAMGYDSWSA-N 1 2 335.444 3.765 20 0 EHADLO Cc1sccc1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000345518174 1020341482 /nfs/dbraw/zinc/34/14/82/1020341482.db2.gz BYEJYFHGVUBHES-UHFFFAOYSA-N 1 2 343.496 3.691 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccnn2C(C)C)c(SC)cc1OC ZINC000280400996 1020343639 /nfs/dbraw/zinc/34/36/39/1020343639.db2.gz XPTTZLGJRMAMMO-UHFFFAOYSA-N 1 2 349.500 3.835 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccnn2C(C)C)c(SC)cc1OC ZINC000280400996 1020343648 /nfs/dbraw/zinc/34/36/48/1020343648.db2.gz XPTTZLGJRMAMMO-UHFFFAOYSA-N 1 2 349.500 3.835 20 0 EHADLO C[C@@H](CCO)[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000093303299 1032894132 /nfs/dbraw/zinc/89/41/32/1032894132.db2.gz KKFUTVLFZMTTQY-LBPRGKRZSA-N 1 2 344.402 3.935 20 0 EHADLO C[C@@H](CCO)[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000093303299 1032894146 /nfs/dbraw/zinc/89/41/46/1032894146.db2.gz KKFUTVLFZMTTQY-LBPRGKRZSA-N 1 2 344.402 3.935 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000280440864 1020385032 /nfs/dbraw/zinc/38/50/32/1020385032.db2.gz MZSGZQWKFAYBQB-RDTXWAMCSA-N 1 2 339.863 3.507 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000280440864 1020385043 /nfs/dbraw/zinc/38/50/43/1020385043.db2.gz MZSGZQWKFAYBQB-RDTXWAMCSA-N 1 2 339.863 3.507 20 0 EHADLO F[C@H]1CCC[C@@H](c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)C1 ZINC000581067423 1020397132 /nfs/dbraw/zinc/39/71/32/1020397132.db2.gz LQHWBWLYDWUZCT-ZBFHGGJFSA-N 1 2 345.418 3.565 20 0 EHADLO CCC1CCC(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000069205235 1020401458 /nfs/dbraw/zinc/40/14/58/1020401458.db2.gz AFSLWBJSLLMBLO-UHFFFAOYSA-N 1 2 344.503 3.566 20 0 EHADLO CC1(C)CC[C@@H]2C[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c3cccc1c32 ZINC000345626671 1020401930 /nfs/dbraw/zinc/40/19/30/1020401930.db2.gz PEJJAYFOELAWRF-IIDMSEBBSA-N 1 2 349.478 3.862 20 0 EHADLO OC[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)c1ccccc1Cl ZINC000340848372 1020413249 /nfs/dbraw/zinc/41/32/49/1020413249.db2.gz JNNHLEVZLHZSCN-JTQLQIEISA-N 1 2 330.737 3.942 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)o1 ZINC000093809731 1032906476 /nfs/dbraw/zinc/90/64/76/1032906476.db2.gz PNXIDPMHMXZZSK-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)o1 ZINC000093809731 1032906490 /nfs/dbraw/zinc/90/64/90/1032906490.db2.gz PNXIDPMHMXZZSK-QGZVFWFLSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1nc(Cc2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cs1 ZINC000345713612 1020466912 /nfs/dbraw/zinc/46/69/12/1020466912.db2.gz OIBAFIISADYICP-UHFFFAOYSA-N 1 2 337.408 3.586 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2cccc(Br)c2F)o1 ZINC000449619997 1032908082 /nfs/dbraw/zinc/90/80/82/1032908082.db2.gz DNMGKBURMHPDDF-UHFFFAOYSA-N 1 2 327.197 3.819 20 0 EHADLO C[C@H]1CCN(C(=O)Nc2ccc(C(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000933106031 1020539232 /nfs/dbraw/zinc/53/92/32/1020539232.db2.gz MGVZXCMVJFULBT-SWLSCSKDSA-N 1 2 334.370 3.936 20 0 EHADLO Cc1cc(C)c(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c(C)c1 ZINC000345865937 1020579051 /nfs/dbraw/zinc/57/90/51/1020579051.db2.gz GSYFEOACFPRCJL-UHFFFAOYSA-N 1 2 345.406 3.833 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccc(C(C)(C)C)cn4)n3)[nH+]c12 ZINC000581244482 1020580071 /nfs/dbraw/zinc/58/00/71/1020580071.db2.gz CSDGNTUOPSFVRL-UHFFFAOYSA-N 1 2 347.422 3.976 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)csc2c1 ZINC000280748413 1020612717 /nfs/dbraw/zinc/61/27/17/1020612717.db2.gz PFDGGWHJDYALRK-CYBMUJFWSA-N 1 2 325.437 3.953 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000345927956 1020617508 /nfs/dbraw/zinc/61/75/08/1020617508.db2.gz FYQXERMMYUDYJS-UHFFFAOYSA-N 1 2 346.843 3.613 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345957583 1020629740 /nfs/dbraw/zinc/62/97/40/1020629740.db2.gz BWVRJSSTKHUHER-JKEDJMADSA-N 1 2 347.503 3.667 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000581295027 1020641961 /nfs/dbraw/zinc/64/19/61/1020641961.db2.gz BHVHUNNEILCWII-GOSISDBHSA-N 1 2 338.455 3.600 20 0 EHADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419445089 1020657052 /nfs/dbraw/zinc/65/70/52/1020657052.db2.gz UMPRVBDLKLCPKS-IAGOWNOFSA-N 1 2 346.519 3.618 20 0 EHADLO C[C@H]1SCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000933135618 1020668052 /nfs/dbraw/zinc/66/80/52/1020668052.db2.gz XXBPYIAVNOGBPW-ACJLOTCBSA-N 1 2 337.448 3.882 20 0 EHADLO C[C@@]1(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1(F)F ZINC000656473225 1020683312 /nfs/dbraw/zinc/68/33/12/1020683312.db2.gz KKSRYUIPSLREHB-MRXNPFEDSA-N 1 2 329.354 3.663 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000276142875 1020712124 /nfs/dbraw/zinc/71/21/24/1020712124.db2.gz CTUQOVMFCPATTI-GJZGRUSLSA-N 1 2 343.475 3.907 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cn2c1 ZINC000042403562 1020713445 /nfs/dbraw/zinc/71/34/45/1020713445.db2.gz JNGUKEIGOUXAMO-YQQAZPJKSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC000292432806 1020715614 /nfs/dbraw/zinc/71/56/14/1020715614.db2.gz VAVNVFPLULVVPJ-INIZCTEOSA-N 1 2 328.460 3.657 20 0 EHADLO Cc1cncc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000255293526 1020718134 /nfs/dbraw/zinc/71/81/34/1020718134.db2.gz FJTYJOZXXZDDSU-DJWKRKHSSA-N 1 2 338.798 3.881 20 0 EHADLO O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048397805 1020770806 /nfs/dbraw/zinc/77/08/06/1020770806.db2.gz BYIMYLWQAJBDAA-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO Cc1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)cc[nH+]1 ZINC000593399499 1032928205 /nfs/dbraw/zinc/92/82/05/1032928205.db2.gz OMOVSDORHGKRRK-UHFFFAOYSA-N 1 2 331.828 3.646 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000188512711 1020810871 /nfs/dbraw/zinc/81/08/71/1020810871.db2.gz XWNGUFHNGWQSTM-UHFFFAOYSA-N 1 2 349.394 3.625 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000188512711 1020810879 /nfs/dbraw/zinc/81/08/79/1020810879.db2.gz XWNGUFHNGWQSTM-UHFFFAOYSA-N 1 2 349.394 3.625 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000471661810 1020963890 /nfs/dbraw/zinc/96/38/90/1020963890.db2.gz HLNGHAJYCSEYPM-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(F)c(C(C)=O)c1)c1ccccc1 ZINC000341090264 1020971631 /nfs/dbraw/zinc/97/16/31/1020971631.db2.gz QQJODBBESFCEFZ-GOSISDBHSA-N 1 2 328.387 3.660 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(F)c(C(C)=O)c1)c1ccccc1 ZINC000341090264 1020971635 /nfs/dbraw/zinc/97/16/35/1020971635.db2.gz QQJODBBESFCEFZ-GOSISDBHSA-N 1 2 328.387 3.660 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000276282094 1020981218 /nfs/dbraw/zinc/98/12/18/1020981218.db2.gz LJJORBARKMRSMZ-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147031 1021009995 /nfs/dbraw/zinc/00/99/95/1021009995.db2.gz YKXOLGSFEMODOD-MNOVXSKESA-N 1 2 345.306 3.685 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C12CCC2 ZINC000341147031 1021009998 /nfs/dbraw/zinc/00/99/98/1021009998.db2.gz YKXOLGSFEMODOD-MNOVXSKESA-N 1 2 345.306 3.685 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)c1nnc2n1CCCCC2 ZINC000276358871 1021094945 /nfs/dbraw/zinc/09/49/45/1021094945.db2.gz MQQAITXITYWKIM-RHSMWYFYSA-N 1 2 344.507 3.892 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000894839076 1021237915 /nfs/dbraw/zinc/23/79/15/1021237915.db2.gz QAIYXBRZSACSTH-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000894839076 1021237924 /nfs/dbraw/zinc/23/79/24/1021237924.db2.gz QAIYXBRZSACSTH-ZBEGNZNMSA-N 1 2 340.345 3.964 20 0 EHADLO CNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000426316587 1021251342 /nfs/dbraw/zinc/25/13/42/1021251342.db2.gz HHYHUMMWLMOBDV-SJCJKPOMSA-N 1 2 334.822 3.601 20 0 EHADLO Cc1cccc(COc2cccc(CC(=O)Nc3cc[nH+]c(C)c3)c2)c1 ZINC000518509362 1021258387 /nfs/dbraw/zinc/25/83/87/1021258387.db2.gz YPUHGODQFNEMES-UHFFFAOYSA-N 1 2 346.430 3.881 20 0 EHADLO Cc1sccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000296112287 1021258827 /nfs/dbraw/zinc/25/88/27/1021258827.db2.gz FBELXVVUWMIFOH-UHFFFAOYSA-N 1 2 329.469 3.609 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@H]1CCSC1 ZINC000518523160 1021276538 /nfs/dbraw/zinc/27/65/38/1021276538.db2.gz AHSYGBPXFBGGAH-ZDUSSCGKSA-N 1 2 342.468 3.513 20 0 EHADLO CC/C=C/CC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282476 1021288707 /nfs/dbraw/zinc/28/87/07/1021288707.db2.gz BWDWEAXOOHMDBN-BWPKMQGJSA-N 1 2 326.362 3.535 20 0 EHADLO CC/C=C/CC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282476 1021288714 /nfs/dbraw/zinc/28/87/14/1021288714.db2.gz BWDWEAXOOHMDBN-BWPKMQGJSA-N 1 2 326.362 3.535 20 0 EHADLO CC/C=C/CC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282480 1021288953 /nfs/dbraw/zinc/28/89/53/1021288953.db2.gz BWDWEAXOOHMDBN-NHZBNJEXSA-N 1 2 326.362 3.535 20 0 EHADLO CC/C=C/CC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282480 1021288961 /nfs/dbraw/zinc/28/89/61/1021288961.db2.gz BWDWEAXOOHMDBN-NHZBNJEXSA-N 1 2 326.362 3.535 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000664870171 1021299949 /nfs/dbraw/zinc/29/99/49/1021299949.db2.gz ZUPOHGKKVDPEFT-UHFFFAOYSA-N 1 2 339.468 3.513 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000664870171 1021299963 /nfs/dbraw/zinc/29/99/63/1021299963.db2.gz ZUPOHGKKVDPEFT-UHFFFAOYSA-N 1 2 339.468 3.513 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ns1 ZINC000507521303 1021327353 /nfs/dbraw/zinc/32/73/53/1021327353.db2.gz XCVPRAANFLITLA-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000507526291 1021331948 /nfs/dbraw/zinc/33/19/48/1021331948.db2.gz GQUBHIQFEITEDV-UHFFFAOYSA-N 1 2 338.442 3.746 20 0 EHADLO C[C@@H](CNC(=O)c1ccc(C2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000607039738 1032974041 /nfs/dbraw/zinc/97/40/41/1032974041.db2.gz IYUZOFXOEZALFG-INIZCTEOSA-N 1 2 325.456 3.997 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCSC[C@H]3c3cnn(C)c3)cc2s1 ZINC000426372960 1021406784 /nfs/dbraw/zinc/40/67/84/1021406784.db2.gz RWRXLCHQQGIJRO-INIZCTEOSA-N 1 2 344.509 3.628 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCSC[C@H]3c3cnn(C)c3)cc2s1 ZINC000426372960 1021406786 /nfs/dbraw/zinc/40/67/86/1021406786.db2.gz RWRXLCHQQGIJRO-INIZCTEOSA-N 1 2 344.509 3.628 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(SC2CC2)cc1 ZINC000341312979 1021416338 /nfs/dbraw/zinc/41/63/38/1021416338.db2.gz PBQAKDSFAZQBCE-UHFFFAOYSA-N 1 2 341.480 3.958 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1 ZINC000507671030 1021426630 /nfs/dbraw/zinc/42/66/30/1021426630.db2.gz XQNOCKUSIAHDOK-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1 ZINC000507671030 1021426641 /nfs/dbraw/zinc/42/66/41/1021426641.db2.gz XQNOCKUSIAHDOK-LJQANCHMSA-N 1 2 347.842 3.931 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465455 1021476596 /nfs/dbraw/zinc/47/65/96/1021476596.db2.gz FIHYMJZLIKYXIJ-HUUCEWRRSA-N 1 2 338.879 3.785 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465455 1021476599 /nfs/dbraw/zinc/47/65/99/1021476599.db2.gz FIHYMJZLIKYXIJ-HUUCEWRRSA-N 1 2 338.879 3.785 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000505939242 1021495660 /nfs/dbraw/zinc/49/56/60/1021495660.db2.gz UTQKUCUOXVYHSR-BHIYHBOVSA-N 1 2 337.467 3.812 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000518752396 1021496685 /nfs/dbraw/zinc/49/66/85/1021496685.db2.gz WAAUJDYFQFRZRB-SJLPKXTDSA-N 1 2 329.488 3.905 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC[C@H]2CCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000439525588 1021511674 /nfs/dbraw/zinc/51/16/74/1021511674.db2.gz ZBIMDYUWOIZZEW-JFIYKMOQSA-N 1 2 345.487 3.638 20 0 EHADLO Cn1c[nH+]cc1COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000439556051 1021569034 /nfs/dbraw/zinc/56/90/34/1021569034.db2.gz JBTBOASVZKWEEG-UHFFFAOYSA-N 1 2 326.396 3.667 20 0 EHADLO CC(C)[N@H+](Cc1nnnn1Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000581703063 1021569583 /nfs/dbraw/zinc/56/95/83/1021569583.db2.gz XJODERZEXUKHTR-QGZVFWFLSA-N 1 2 335.455 3.693 20 0 EHADLO CC(C)[N@@H+](Cc1nnnn1Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000581703063 1021569594 /nfs/dbraw/zinc/56/95/94/1021569594.db2.gz XJODERZEXUKHTR-QGZVFWFLSA-N 1 2 335.455 3.693 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1)NC1CCCCC1 ZINC000469450551 1021574689 /nfs/dbraw/zinc/57/46/89/1021574689.db2.gz QRUPDJYBWFYBQR-UHFFFAOYSA-N 1 2 348.437 3.893 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)n1cc[nH+]c1 ZINC000581729458 1021633430 /nfs/dbraw/zinc/63/34/30/1021633430.db2.gz YGXQAYUXMWDDNO-YGRLFVJLSA-N 1 2 338.238 3.945 20 0 EHADLO Cc1nnc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)s1 ZINC000519730810 1021645889 /nfs/dbraw/zinc/64/58/89/1021645889.db2.gz YHJJYZZJPGPPMH-GFCCVEGCSA-N 1 2 329.347 3.522 20 0 EHADLO CCCCc1ccc(CC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000064998129 1021663979 /nfs/dbraw/zinc/66/39/79/1021663979.db2.gz WQKROOGXCBXBJI-UHFFFAOYSA-N 1 2 340.467 3.909 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1nccc2ccccc21)CC1CC1 ZINC000593672571 1033001863 /nfs/dbraw/zinc/00/18/63/1033001863.db2.gz STLWHJCHLBOROT-UHFFFAOYSA-N 1 2 326.440 3.789 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1nccc2ccccc21)CC1CC1 ZINC000593672571 1033001878 /nfs/dbraw/zinc/00/18/78/1033001878.db2.gz STLWHJCHLBOROT-UHFFFAOYSA-N 1 2 326.440 3.789 20 0 EHADLO CC(C)n1cc(Cl)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000894884853 1021709592 /nfs/dbraw/zinc/70/95/92/1021709592.db2.gz YPIZELSKVNVJIG-MRXNPFEDSA-N 1 2 346.862 3.721 20 0 EHADLO CC(C)n1cc(Cl)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000894884853 1021709602 /nfs/dbraw/zinc/70/96/02/1021709602.db2.gz YPIZELSKVNVJIG-MRXNPFEDSA-N 1 2 346.862 3.721 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000897619669 1032998059 /nfs/dbraw/zinc/99/80/59/1032998059.db2.gz SRNLAWQUIGXJPF-DOTOQJQBSA-N 1 2 329.419 3.518 20 0 EHADLO Cc1nc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2c([nH+]1)CCCC2 ZINC000519846737 1021721020 /nfs/dbraw/zinc/72/10/20/1021721020.db2.gz WDVRJVKAIPIFGG-SFHLNBCPSA-N 1 2 349.478 3.673 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCCC23CC3)c(C)c1 ZINC000528882155 1033005351 /nfs/dbraw/zinc/00/53/51/1033005351.db2.gz NJCNAGLXWQDDMO-OALUTQOASA-N 1 2 337.467 3.938 20 0 EHADLO c1ccc2c(c1)C=CC1(CCN(c3cc(N4CCCC4)[nH+]cn3)CC1)O2 ZINC000664625690 1021756520 /nfs/dbraw/zinc/75/65/20/1021756520.db2.gz NOMOBOITLRBALV-UHFFFAOYSA-N 1 2 348.450 3.522 20 0 EHADLO c1ccc2c(c1)C=CC1(CCN(c3cc(N4CCCC4)nc[nH+]3)CC1)O2 ZINC000664625690 1021756536 /nfs/dbraw/zinc/75/65/36/1021756536.db2.gz NOMOBOITLRBALV-UHFFFAOYSA-N 1 2 348.450 3.522 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(Br)cn1 ZINC000684423744 1021794388 /nfs/dbraw/zinc/79/43/88/1021794388.db2.gz DLERGLRNSHMOTI-NSHDSACASA-N 1 2 345.244 3.582 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000516903488 1021823021 /nfs/dbraw/zinc/82/30/21/1021823021.db2.gz JTNAEHFDLRWRMJ-LBPRGKRZSA-N 1 2 343.452 3.657 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000516903488 1021823036 /nfs/dbraw/zinc/82/30/36/1021823036.db2.gz JTNAEHFDLRWRMJ-LBPRGKRZSA-N 1 2 343.452 3.657 20 0 EHADLO CCC(C)(C)CCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000437434881 1021837447 /nfs/dbraw/zinc/83/74/47/1021837447.db2.gz WOWLHSQZJONJOS-UHFFFAOYSA-N 1 2 349.544 3.680 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@H](CC(F)(F)F)O1 ZINC000664634027 1021860606 /nfs/dbraw/zinc/86/06/06/1021860606.db2.gz BXKWUALXLORUJY-MFKMUULPSA-N 1 2 328.309 3.920 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000439961979 1021862525 /nfs/dbraw/zinc/86/25/25/1021862525.db2.gz OWCVTLMHPNPKSX-RHSMWYFYSA-N 1 2 331.847 3.612 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000506727844 1021864706 /nfs/dbraw/zinc/86/47/06/1021864706.db2.gz CAOTVSOXQVQQMZ-UHFFFAOYSA-N 1 2 332.419 3.741 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000506727844 1021864721 /nfs/dbraw/zinc/86/47/21/1021864721.db2.gz CAOTVSOXQVQQMZ-UHFFFAOYSA-N 1 2 332.419 3.741 20 0 EHADLO COCC[N@H+](Cc1cnc(C2CCC2)s1)Cc1scnc1C ZINC000426547011 1021878148 /nfs/dbraw/zinc/87/81/48/1021878148.db2.gz CQTOZQWMTKUYAP-UHFFFAOYSA-N 1 2 337.514 3.824 20 0 EHADLO COCC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1scnc1C ZINC000426547011 1021878161 /nfs/dbraw/zinc/87/81/61/1021878161.db2.gz CQTOZQWMTKUYAP-UHFFFAOYSA-N 1 2 337.514 3.824 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cc(Br)ccc3CO)n2c1 ZINC000341438820 1021898485 /nfs/dbraw/zinc/89/84/85/1021898485.db2.gz ZBMFULYLFNPGKI-UHFFFAOYSA-N 1 2 346.228 3.510 20 0 EHADLO C[N@H+](Cc1cc(F)ccc1Br)[C@H](CO)c1ccccc1 ZINC000519202334 1021931701 /nfs/dbraw/zinc/93/17/01/1021931701.db2.gz LHLAPSZRHMRWGF-MRXNPFEDSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1cc(F)ccc1Br)[C@H](CO)c1ccccc1 ZINC000519202334 1021931707 /nfs/dbraw/zinc/93/17/07/1021931707.db2.gz LHLAPSZRHMRWGF-MRXNPFEDSA-N 1 2 338.220 3.754 20 0 EHADLO CC(C)N(C(=O)C[N@@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441046966 1021954129 /nfs/dbraw/zinc/95/41/29/1021954129.db2.gz FELSEMZUBPCOIG-UHFFFAOYSA-N 1 2 326.415 3.625 20 0 EHADLO CC(C)N(C(=O)C[N@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000441046966 1021954132 /nfs/dbraw/zinc/95/41/32/1021954132.db2.gz FELSEMZUBPCOIG-UHFFFAOYSA-N 1 2 326.415 3.625 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587654 1021978027 /nfs/dbraw/zinc/97/80/27/1021978027.db2.gz GDQDSIPQIHWKKS-RZAIGCCYSA-N 1 2 330.403 3.613 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587654 1021978040 /nfs/dbraw/zinc/97/80/40/1021978040.db2.gz GDQDSIPQIHWKKS-RZAIGCCYSA-N 1 2 330.403 3.613 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587655 1021978960 /nfs/dbraw/zinc/97/89/60/1021978960.db2.gz GDQDSIPQIHWKKS-UUWFMWQGSA-N 1 2 330.403 3.613 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437587655 1021978964 /nfs/dbraw/zinc/97/89/64/1021978964.db2.gz GDQDSIPQIHWKKS-UUWFMWQGSA-N 1 2 330.403 3.613 20 0 EHADLO Cn1ncc(Cl)c1C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000437591572 1021982768 /nfs/dbraw/zinc/98/27/68/1021982768.db2.gz PCPIBBPZFSIKBT-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000437591572 1021982784 /nfs/dbraw/zinc/98/27/84/1021982784.db2.gz PCPIBBPZFSIKBT-UHFFFAOYSA-N 1 2 328.243 3.628 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2cccs2)o1 ZINC000341471481 1022013245 /nfs/dbraw/zinc/01/32/45/1022013245.db2.gz GTKQOORUHMVAEB-UHFFFAOYSA-N 1 2 341.436 3.513 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccccc2F)on1 ZINC000052926960 1022026970 /nfs/dbraw/zinc/02/69/70/1022026970.db2.gz POCZOHVCVLKSHN-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000299343853 1022034635 /nfs/dbraw/zinc/03/46/35/1022034635.db2.gz BCIGOXWVMAMQIT-LBPRGKRZSA-N 1 2 337.407 3.523 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000299343853 1022034640 /nfs/dbraw/zinc/03/46/40/1022034640.db2.gz BCIGOXWVMAMQIT-LBPRGKRZSA-N 1 2 337.407 3.523 20 0 EHADLO CCC(CC)n1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)n1 ZINC000341507086 1022046280 /nfs/dbraw/zinc/04/62/80/1022046280.db2.gz PDTDCGSRJYNWHH-LJQANCHMSA-N 1 2 342.487 3.553 20 0 EHADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)nc1 ZINC000341508797 1022048942 /nfs/dbraw/zinc/04/89/42/1022048942.db2.gz TXSJDCQFTNZLDM-LBPRGKRZSA-N 1 2 325.334 3.577 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)nc(C2CC2)[nH+]1 ZINC000341514179 1022053133 /nfs/dbraw/zinc/05/31/33/1022053133.db2.gz VPQZAJPTGXEUTI-MRXNPFEDSA-N 1 2 337.423 3.775 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(Cc2ccccc2)CC1 ZINC000437681904 1022062734 /nfs/dbraw/zinc/06/27/34/1022062734.db2.gz RHOLTPHVSOZPMI-UHFFFAOYSA-N 1 2 345.446 3.571 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)c1 ZINC000437702251 1022069828 /nfs/dbraw/zinc/06/98/28/1022069828.db2.gz RMJRADONJNFJDO-AWEZNQCLSA-N 1 2 331.466 3.773 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)c1 ZINC000437702251 1022069841 /nfs/dbraw/zinc/06/98/41/1022069841.db2.gz RMJRADONJNFJDO-AWEZNQCLSA-N 1 2 331.466 3.773 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000517239487 1022158851 /nfs/dbraw/zinc/15/88/51/1022158851.db2.gz QHMOZLCPJUYYBB-CQSZACIVSA-N 1 2 329.787 3.784 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000437830381 1022169659 /nfs/dbraw/zinc/16/96/59/1022169659.db2.gz XMYPSXXDWHEKLL-NVXWUHKLSA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000437830381 1022169670 /nfs/dbraw/zinc/16/96/70/1022169670.db2.gz XMYPSXXDWHEKLL-NVXWUHKLSA-N 1 2 329.444 3.620 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000163975393 1022199880 /nfs/dbraw/zinc/19/98/80/1022199880.db2.gz KWNHMWYGGURFNO-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO CN(C)C(=O)c1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1F ZINC001211849427 1022233830 /nfs/dbraw/zinc/23/38/30/1022233830.db2.gz JQKPRQBSSKMIKR-UHFFFAOYSA-N 1 2 332.766 3.572 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)o1 ZINC000075719176 1022276343 /nfs/dbraw/zinc/27/63/43/1022276343.db2.gz HVCFVNXPIXMDEM-CJNGLKHVSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)o1 ZINC000075719176 1022276357 /nfs/dbraw/zinc/27/63/57/1022276357.db2.gz HVCFVNXPIXMDEM-CJNGLKHVSA-N 1 2 340.345 3.538 20 0 EHADLO Clc1cnc2nc(NCc3cc[nH+]c(N4CCCC4)c3)ccc2c1 ZINC000891675493 1022281273 /nfs/dbraw/zinc/28/12/73/1022281273.db2.gz DNDWMNBXVDENJZ-UHFFFAOYSA-N 1 2 339.830 3.891 20 0 EHADLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000557696047 1022283332 /nfs/dbraw/zinc/28/33/32/1022283332.db2.gz XOLGBDXUDABKDC-HNNXBMFYSA-N 1 2 329.444 3.911 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)s1 ZINC000894443071 1022288378 /nfs/dbraw/zinc/28/83/78/1022288378.db2.gz CJIZFLMNBVCPMG-IUODEOHRSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)s1 ZINC000894443071 1022288391 /nfs/dbraw/zinc/28/83/91/1022288391.db2.gz CJIZFLMNBVCPMG-IUODEOHRSA-N 1 2 346.452 3.521 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276698873 1022344610 /nfs/dbraw/zinc/34/46/10/1022344610.db2.gz BHIBQDAZTWAANM-LBPRGKRZSA-N 1 2 332.835 3.515 20 0 EHADLO CSc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000894994355 1022351397 /nfs/dbraw/zinc/35/13/97/1022351397.db2.gz OMINXVDCBBISPG-GOSISDBHSA-N 1 2 329.421 3.611 20 0 EHADLO CSc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000894994355 1022351415 /nfs/dbraw/zinc/35/14/15/1022351415.db2.gz OMINXVDCBBISPG-GOSISDBHSA-N 1 2 329.421 3.611 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894486939 1022384537 /nfs/dbraw/zinc/38/45/37/1022384537.db2.gz ZZBMKDCFUGGIMR-NEPJUHHUSA-N 1 2 334.407 3.801 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894486939 1022384544 /nfs/dbraw/zinc/38/45/44/1022384544.db2.gz ZZBMKDCFUGGIMR-NEPJUHHUSA-N 1 2 334.407 3.801 20 0 EHADLO COC(=O)c1csc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000602673814 1033053016 /nfs/dbraw/zinc/05/30/16/1033053016.db2.gz RUDICIDHQOYIGY-UHFFFAOYSA-N 1 2 348.346 3.566 20 0 EHADLO Cc1cn2cc(NC(=O)NCCc3c[nH]c4c3cccc4C)ccc2[nH+]1 ZINC000438113471 1022398959 /nfs/dbraw/zinc/39/89/59/1022398959.db2.gz FNFBPHRCMRGJOW-UHFFFAOYSA-N 1 2 347.422 3.797 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cc(Cl)ccc34)sc2C1 ZINC000588924166 1022405682 /nfs/dbraw/zinc/40/56/82/1022405682.db2.gz OAKOOBBNABXQKI-UHFFFAOYSA-N 1 2 346.843 3.518 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cc(Cl)ccc34)sc2C1 ZINC000588924166 1022405694 /nfs/dbraw/zinc/40/56/94/1022405694.db2.gz OAKOOBBNABXQKI-UHFFFAOYSA-N 1 2 346.843 3.518 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C)o1 ZINC000156490629 1022430150 /nfs/dbraw/zinc/43/01/50/1022430150.db2.gz AEZMADGLQICQES-VQIMIIECSA-N 1 2 339.439 3.871 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051201043 1022431067 /nfs/dbraw/zinc/43/10/67/1022431067.db2.gz QXMOAZDQWCZUHW-MRXNPFEDSA-N 1 2 344.480 3.509 20 0 EHADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051201043 1022431074 /nfs/dbraw/zinc/43/10/74/1022431074.db2.gz QXMOAZDQWCZUHW-MRXNPFEDSA-N 1 2 344.480 3.509 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000517628337 1022499150 /nfs/dbraw/zinc/49/91/50/1022499150.db2.gz CZPGCAFJPYHABB-OAHLLOKOSA-N 1 2 345.462 3.990 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827913 1022512488 /nfs/dbraw/zinc/51/24/88/1022512488.db2.gz DKJXLSMXALHTNV-QINHECLXSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827913 1022512495 /nfs/dbraw/zinc/51/24/95/1022512495.db2.gz DKJXLSMXALHTNV-QINHECLXSA-N 1 2 349.478 3.831 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000144581631 1033059933 /nfs/dbraw/zinc/05/99/33/1033059933.db2.gz QZVLQAFKRQGWRH-UHFFFAOYSA-N 1 2 332.451 3.707 20 0 EHADLO Cc1ccc([C@H](CNCc2ncc(Cl)s2)[NH+]2CCCC2)o1 ZINC000349568503 1022535890 /nfs/dbraw/zinc/53/58/90/1022535890.db2.gz MBPIZYWDEQXHLF-LBPRGKRZSA-N 1 2 325.865 3.625 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000438299451 1022540468 /nfs/dbraw/zinc/54/04/68/1022540468.db2.gz MAJIGFXWIMSOPN-KXBFYZLASA-N 1 2 329.415 3.612 20 0 EHADLO CNc1cc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH+]cn1 ZINC000891761694 1022578369 /nfs/dbraw/zinc/57/83/69/1022578369.db2.gz DWKXSPZIDWIANT-YUMQZZPRSA-N 1 2 342.287 3.840 20 0 EHADLO CC(C)c1ccsc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000053023590 1022610817 /nfs/dbraw/zinc/61/08/17/1022610817.db2.gz NOBJQHYUXCLEBR-UHFFFAOYSA-N 1 2 329.469 3.797 20 0 EHADLO CC(C)C[C@@H]1CCCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000607232980 1033067591 /nfs/dbraw/zinc/06/75/91/1033067591.db2.gz TWTQOGKERRFYOT-KRWDZBQOSA-N 1 2 332.492 3.884 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)O1 ZINC000665002301 1022625865 /nfs/dbraw/zinc/62/58/65/1022625865.db2.gz YFPGZYJHDHFWCH-FWEDZOCSSA-N 1 2 339.439 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)O1 ZINC000665002301 1022625872 /nfs/dbraw/zinc/62/58/72/1022625872.db2.gz YFPGZYJHDHFWCH-FWEDZOCSSA-N 1 2 339.439 3.545 20 0 EHADLO CCC[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005006 1022640160 /nfs/dbraw/zinc/64/01/60/1022640160.db2.gz KIPATDYYSYLYIH-ZOBUZTSGSA-N 1 2 329.444 3.935 20 0 EHADLO CCC[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005006 1022640167 /nfs/dbraw/zinc/64/01/67/1022640167.db2.gz KIPATDYYSYLYIH-ZOBUZTSGSA-N 1 2 329.444 3.935 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835033 1022642585 /nfs/dbraw/zinc/64/25/85/1022642585.db2.gz CKDHPCIKOYTUFX-KONPQCLYSA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664835033 1022642587 /nfs/dbraw/zinc/64/25/87/1022642587.db2.gz CKDHPCIKOYTUFX-KONPQCLYSA-N 1 2 329.488 3.643 20 0 EHADLO COc1ccccc1-n1nccc1C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000430755781 1022658374 /nfs/dbraw/zinc/65/83/74/1022658374.db2.gz AQOJKQJEHHJHKE-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000430755781 1022658381 /nfs/dbraw/zinc/65/83/81/1022658381.db2.gz AQOJKQJEHHJHKE-UHFFFAOYSA-N 1 2 343.377 3.791 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000345984122 1022663224 /nfs/dbraw/zinc/66/32/24/1022663224.db2.gz CPXPDMLOZVUHHG-TUVASFSCSA-N 1 2 343.393 3.661 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000303951656 1022675306 /nfs/dbraw/zinc/67/53/06/1022675306.db2.gz VXBQZUPCLTZCJP-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000303951656 1022675316 /nfs/dbraw/zinc/67/53/16/1022675316.db2.gz VXBQZUPCLTZCJP-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO Cc1noc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000052993727 1022700439 /nfs/dbraw/zinc/70/04/39/1022700439.db2.gz FEXUUOUMMRHQMB-UHFFFAOYSA-N 1 2 332.791 3.552 20 0 EHADLO CCC/C=C/c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011728 1022701885 /nfs/dbraw/zinc/70/18/85/1022701885.db2.gz GLDUFOUOSFOUSZ-KSLMAGSDSA-N 1 2 327.428 3.845 20 0 EHADLO CCC/C=C/c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011728 1022701899 /nfs/dbraw/zinc/70/18/99/1022701899.db2.gz GLDUFOUOSFOUSZ-KSLMAGSDSA-N 1 2 327.428 3.845 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC3(C)C)n2)O1 ZINC000665012853 1022718977 /nfs/dbraw/zinc/71/89/77/1022718977.db2.gz UJTJNFQRDOHQKM-PVAVHDDUSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC3(C)C)n2)O1 ZINC000665012853 1022718988 /nfs/dbraw/zinc/71/89/88/1022718988.db2.gz UJTJNFQRDOHQKM-PVAVHDDUSA-N 1 2 341.455 3.935 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C(C)C)nc2C)c1C ZINC000293167908 1022735926 /nfs/dbraw/zinc/73/59/26/1022735926.db2.gz WAKJHPMNZNXVTK-UHFFFAOYSA-N 1 2 341.455 3.806 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)n1 ZINC000438550876 1022793834 /nfs/dbraw/zinc/79/38/34/1022793834.db2.gz CDUPTNGARSUEII-SCLBCKFNSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)n1 ZINC000438550876 1022793845 /nfs/dbraw/zinc/79/38/45/1022793845.db2.gz CDUPTNGARSUEII-SCLBCKFNSA-N 1 2 332.831 3.711 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476246677 1033082231 /nfs/dbraw/zinc/08/22/31/1033082231.db2.gz CRQPTNDKMLDWDL-CSMYWGQOSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000476246677 1033082239 /nfs/dbraw/zinc/08/22/39/1033082239.db2.gz CRQPTNDKMLDWDL-CSMYWGQOSA-N 1 2 338.442 3.899 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000458945283 1022810749 /nfs/dbraw/zinc/81/07/49/1022810749.db2.gz QNAIRNPDCSGLSC-JKSUJKDBSA-N 1 2 332.492 3.577 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761038433 1033086959 /nfs/dbraw/zinc/08/69/59/1033086959.db2.gz ANHLQAGQKGRSEB-JTQLQIEISA-N 1 2 331.288 3.535 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761038433 1033086969 /nfs/dbraw/zinc/08/69/69/1033086969.db2.gz ANHLQAGQKGRSEB-JTQLQIEISA-N 1 2 331.288 3.535 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517961228 1022885491 /nfs/dbraw/zinc/88/54/91/1022885491.db2.gz VCBZGSXGQRJSSM-LSBZLQRGSA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517961228 1022885505 /nfs/dbraw/zinc/88/55/05/1022885505.db2.gz VCBZGSXGQRJSSM-LSBZLQRGSA-N 1 2 325.456 3.664 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@@H]1CC3CCC1CC3)C2 ZINC000574407640 1033093658 /nfs/dbraw/zinc/09/36/58/1033093658.db2.gz DDQRQUZBKPUXDY-LKRQVQDUSA-N 1 2 343.515 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@@H]1CC3CCC1CC3)CC2 ZINC000574407640 1033093669 /nfs/dbraw/zinc/09/36/69/1033093669.db2.gz DDQRQUZBKPUXDY-LKRQVQDUSA-N 1 2 343.515 3.969 20 0 EHADLO O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951537 1022958163 /nfs/dbraw/zinc/95/81/63/1022958163.db2.gz OVZKVLGVLKZXBJ-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000518091598 1022985483 /nfs/dbraw/zinc/98/54/83/1022985483.db2.gz UFDREDHMOUVGNC-GUDVDZBRSA-N 1 2 349.434 3.983 20 0 EHADLO CC(C)(C)C(=O)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000506935794 1023026732 /nfs/dbraw/zinc/02/67/32/1023026732.db2.gz DEYHBNHIBXIBGA-UHFFFAOYSA-N 1 2 340.920 3.622 20 0 EHADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2cc3ccccc3o2)oc1=S ZINC000176101493 1023027799 /nfs/dbraw/zinc/02/77/99/1023027799.db2.gz IHBBARJMKIGNCO-LBPRGKRZSA-N 1 2 345.424 3.545 20 0 EHADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2cc3ccccc3o2)oc1=S ZINC000176101493 1023027807 /nfs/dbraw/zinc/02/78/07/1023027807.db2.gz IHBBARJMKIGNCO-LBPRGKRZSA-N 1 2 345.424 3.545 20 0 EHADLO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000294464273 1023043346 /nfs/dbraw/zinc/04/33/46/1023043346.db2.gz ZABDGQLRHMGIQK-UHFFFAOYSA-N 1 2 334.366 3.555 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091703838 1023051467 /nfs/dbraw/zinc/05/14/67/1023051467.db2.gz AUCNJYXHIHWKMS-HKUYNNGSSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1)c1ccccc1 ZINC000091703838 1023051475 /nfs/dbraw/zinc/05/14/75/1023051475.db2.gz AUCNJYXHIHWKMS-HKUYNNGSSA-N 1 2 339.483 3.630 20 0 EHADLO Cc1ccsc1CCCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438836787 1023053880 /nfs/dbraw/zinc/05/38/80/1023053880.db2.gz QCAWKEGYSHYHAN-UHFFFAOYSA-N 1 2 339.464 3.881 20 0 EHADLO CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000426189355 1023059961 /nfs/dbraw/zinc/05/99/61/1023059961.db2.gz YZRMXKWOSYQSRX-GOSISDBHSA-N 1 2 340.471 3.674 20 0 EHADLO Cc1noc(C)c1[C@H](C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000129503636 1023093699 /nfs/dbraw/zinc/09/36/99/1023093699.db2.gz BNMNHPRSKGUWOO-GFCCVEGCSA-N 1 2 348.410 3.636 20 0 EHADLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3[C@@H](C)C[C@@H]3C)cs2)cc1 ZINC000548426510 1023109143 /nfs/dbraw/zinc/10/91/43/1023109143.db2.gz AZCAVVRJFORVLB-KBPBESRZSA-N 1 2 329.469 3.615 20 0 EHADLO O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366739069 1023162158 /nfs/dbraw/zinc/16/21/58/1023162158.db2.gz GYXNTQMCILOTIF-KRWDZBQOSA-N 1 2 345.402 3.699 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000471917113 1023163587 /nfs/dbraw/zinc/16/35/87/1023163587.db2.gz CYQCVZZEACWXSG-MRXNPFEDSA-N 1 2 347.503 3.605 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000471917113 1023163598 /nfs/dbraw/zinc/16/35/98/1023163598.db2.gz CYQCVZZEACWXSG-MRXNPFEDSA-N 1 2 347.503 3.605 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1n1cc[nH+]c1 ZINC000345988538 1023196054 /nfs/dbraw/zinc/19/60/54/1023196054.db2.gz GUFDVNMMBINHFY-KBUPBQIOSA-N 1 2 343.393 3.661 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000426253843 1023203172 /nfs/dbraw/zinc/20/31/72/1023203172.db2.gz FLKLGVMANQEASO-UHFFFAOYSA-N 1 2 342.386 3.541 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c[nH+]1 ZINC000459068752 1023237426 /nfs/dbraw/zinc/23/74/26/1023237426.db2.gz DKSWEIHPZUZRAV-HNNXBMFYSA-N 1 2 329.419 3.610 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@](C)(Cc2ccccc2)C2CC2)c[nH+]1 ZINC000459072172 1023238576 /nfs/dbraw/zinc/23/85/76/1023238576.db2.gz HTWXJXGAQKLPRE-NRFANRHFSA-N 1 2 337.467 3.909 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000507302289 1023241784 /nfs/dbraw/zinc/24/17/84/1023241784.db2.gz WMJDUAAFGMTYSD-UHFFFAOYSA-N 1 2 338.382 3.530 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346023936 1023245150 /nfs/dbraw/zinc/24/51/50/1023245150.db2.gz VWMAZHHGPLLZSE-CYBMUJFWSA-N 1 2 348.855 3.750 20 0 EHADLO CCc1cnc(N2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)s1 ZINC000519600837 1023259751 /nfs/dbraw/zinc/25/97/51/1023259751.db2.gz SXZMOGGBAPBVSX-UHFFFAOYSA-N 1 2 342.443 3.719 20 0 EHADLO CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000510852628 1023289963 /nfs/dbraw/zinc/28/99/63/1023289963.db2.gz PVDDGJCCHHGSGA-GOSISDBHSA-N 1 2 333.435 3.932 20 0 EHADLO Fc1cc(Br)ccc1[C@@H]([NH2+]Cc1cocn1)C1CC1 ZINC000684556420 1023307579 /nfs/dbraw/zinc/30/75/79/1023307579.db2.gz SUWYZISFFFOEOW-AWEZNQCLSA-N 1 2 325.181 3.817 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1cnc(-c2cccs2)s1 ZINC000092192436 1023333614 /nfs/dbraw/zinc/33/36/14/1023333614.db2.gz NXHICEVYTYAYMB-UHFFFAOYSA-N 1 2 337.514 3.610 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1cnc(-c2cccs2)s1 ZINC000092192436 1023333620 /nfs/dbraw/zinc/33/36/20/1023333620.db2.gz NXHICEVYTYAYMB-UHFFFAOYSA-N 1 2 337.514 3.610 20 0 EHADLO Cn1c[nH+]cc1CCNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000548460903 1023369663 /nfs/dbraw/zinc/36/96/63/1023369663.db2.gz KFSIJHNKXLWZDU-UHFFFAOYSA-N 1 2 339.483 3.662 20 0 EHADLO OC[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000294027248 1023401488 /nfs/dbraw/zinc/40/14/88/1023401488.db2.gz KZUKBHYCCMGGOG-GFCCVEGCSA-N 1 2 335.245 3.596 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)c1 ZINC000891929058 1023432065 /nfs/dbraw/zinc/43/20/65/1023432065.db2.gz LFJSFUZDQIHFAZ-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)c1 ZINC000891929058 1023432071 /nfs/dbraw/zinc/43/20/71/1023432071.db2.gz LFJSFUZDQIHFAZ-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3nccc4c3CCCC4)CCO2)c1 ZINC000891930653 1023439910 /nfs/dbraw/zinc/43/99/10/1023439910.db2.gz XZIANFKCTSVEOJ-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3nccc4c3CCCC4)CCO2)c1 ZINC000891930653 1023439918 /nfs/dbraw/zinc/43/99/18/1023439918.db2.gz XZIANFKCTSVEOJ-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO CC(C)c1ccc(-c2nn(C[N@H+](C)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000176103190 1023474467 /nfs/dbraw/zinc/47/44/67/1023474467.db2.gz OJBKMIZDKFIXSW-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO CC(C)c1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000176103190 1023474473 /nfs/dbraw/zinc/47/44/73/1023474473.db2.gz OJBKMIZDKFIXSW-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458123298 1023592286 /nfs/dbraw/zinc/59/22/86/1023592286.db2.gz JPAXZYFSCHWFSV-UYAOXDASSA-N 1 2 349.478 3.980 20 0 EHADLO Cc1cccc([C@H](Nc2cc(C)[nH+]c(C3CC3)n2)c2ccccn2)c1 ZINC000535731049 1023595833 /nfs/dbraw/zinc/59/58/33/1023595833.db2.gz JYWHCIXWSGYKLL-FQEVSTJZSA-N 1 2 330.435 3.989 20 0 EHADLO Cc1cc(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)c[nH+]1 ZINC000535772449 1023623065 /nfs/dbraw/zinc/62/30/65/1023623065.db2.gz DXZJSXNJVMXVGM-UHFFFAOYSA-N 1 2 342.830 3.619 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccccc2OC(C)C)c(C)c[nH+]1 ZINC000535773098 1023624066 /nfs/dbraw/zinc/62/40/66/1023624066.db2.gz MNQWAKYGRZKULB-OAHLLOKOSA-N 1 2 327.428 3.790 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c[nH+]1 ZINC000535773931 1023625179 /nfs/dbraw/zinc/62/51/79/1023625179.db2.gz ZANFKUGXDZBOSL-GFCCVEGCSA-N 1 2 335.354 3.604 20 0 EHADLO CCC1(c2ccccc2)CN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000458222527 1023645263 /nfs/dbraw/zinc/64/52/63/1023645263.db2.gz WCEHOMNPBNDJEC-UHFFFAOYSA-N 1 2 345.446 3.985 20 0 EHADLO Cc1oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2c1C ZINC000548493008 1023667486 /nfs/dbraw/zinc/66/74/86/1023667486.db2.gz ILSSGLBXEIJTEO-UHFFFAOYSA-N 1 2 326.400 3.848 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](CCc1noc2ccccc12)C1CCC1 ZINC000594055432 1033151987 /nfs/dbraw/zinc/15/19/87/1033151987.db2.gz KSDVTOGKZKNLPC-UHFFFAOYSA-N 1 2 330.428 3.567 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](CCc1noc2ccccc12)C1CCC1 ZINC000594055432 1033151996 /nfs/dbraw/zinc/15/19/96/1033151996.db2.gz KSDVTOGKZKNLPC-UHFFFAOYSA-N 1 2 330.428 3.567 20 0 EHADLO c1ccc([C@@H]2OCC[C@H]2CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000277006797 1023695944 /nfs/dbraw/zinc/69/59/44/1023695944.db2.gz IPCPOVRHBWUOGO-PXNSSMCTSA-N 1 2 338.455 3.657 20 0 EHADLO c1ccc([C@@H]2OCC[C@H]2CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000277006797 1023695947 /nfs/dbraw/zinc/69/59/47/1023695947.db2.gz IPCPOVRHBWUOGO-PXNSSMCTSA-N 1 2 338.455 3.657 20 0 EHADLO CC1CCC(OC2CC[NH+](Cc3nnc4n3CCCCC4)CC2)CC1 ZINC000342019016 1023760699 /nfs/dbraw/zinc/76/06/99/1023760699.db2.gz YUKNCLHCBJQSSH-UHFFFAOYSA-N 1 2 346.519 3.564 20 0 EHADLO O=C(N[C@@H]1CCCC2(CC2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897774970 1033160841 /nfs/dbraw/zinc/16/08/41/1033160841.db2.gz WUCMRLUXEAMBKQ-GOSISDBHSA-N 1 2 344.503 3.808 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)O[C@H](C)C2 ZINC000535825423 1023799822 /nfs/dbraw/zinc/79/98/22/1023799822.db2.gz CYYTXXRYVAECSN-ACJLOTCBSA-N 1 2 345.464 3.654 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccs3)C1)O[C@H](C)C2 ZINC000535825423 1023799830 /nfs/dbraw/zinc/79/98/30/1023799830.db2.gz CYYTXXRYVAECSN-ACJLOTCBSA-N 1 2 345.464 3.654 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000684618412 1023853172 /nfs/dbraw/zinc/85/31/72/1023853172.db2.gz OLLPFOFPZKHGBC-HNNXBMFYSA-N 1 2 334.423 3.855 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000684618412 1023853179 /nfs/dbraw/zinc/85/31/79/1023853179.db2.gz OLLPFOFPZKHGBC-HNNXBMFYSA-N 1 2 334.423 3.855 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000096955080 1023897912 /nfs/dbraw/zinc/89/79/12/1023897912.db2.gz PAYAPFQTYBGVCM-GOEBONIOSA-N 1 2 343.496 3.692 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000096955080 1023897921 /nfs/dbraw/zinc/89/79/21/1023897921.db2.gz PAYAPFQTYBGVCM-GOEBONIOSA-N 1 2 343.496 3.692 20 0 EHADLO O=C(N[C@@H]1CCCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000888252570 1023956100 /nfs/dbraw/zinc/95/61/00/1023956100.db2.gz OMNDTXHMLPMTDX-OAQYLSRUSA-N 1 2 345.446 3.609 20 0 EHADLO CSc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469411 1033174777 /nfs/dbraw/zinc/17/47/77/1033174777.db2.gz OQWQTXLSMGJQBC-HNNXBMFYSA-N 1 2 332.473 3.841 20 0 EHADLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000895230137 1024005251 /nfs/dbraw/zinc/00/52/51/1024005251.db2.gz LTYZVRZETJOLBT-MHORFTMASA-N 1 2 330.472 3.503 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000520503688 1024007342 /nfs/dbraw/zinc/00/73/42/1024007342.db2.gz WKXKGLZSCOHBEZ-SFHVURJKSA-N 1 2 341.846 3.534 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)CC(C)(C)C ZINC000190994556 1024008239 /nfs/dbraw/zinc/00/82/39/1024008239.db2.gz PGGHCUXWKOKRJQ-IKGGRYGDSA-N 1 2 334.508 3.938 20 0 EHADLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000522198213 1024023744 /nfs/dbraw/zinc/02/37/44/1024023744.db2.gz XBXMRXXYKUATDX-AWEZNQCLSA-N 1 2 347.418 3.971 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(Cl)cc1Br ZINC001141927921 1024028994 /nfs/dbraw/zinc/02/89/94/1024028994.db2.gz QBKUXHNVCUPBRV-YMTOWFKASA-N 1 2 348.643 3.852 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(Cl)cc1Br ZINC001141927921 1024029012 /nfs/dbraw/zinc/02/90/12/1024029012.db2.gz QBKUXHNVCUPBRV-YMTOWFKASA-N 1 2 348.643 3.852 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514000134 1024044935 /nfs/dbraw/zinc/04/49/35/1024044935.db2.gz UUIAVYNJFXXBFV-KRWDZBQOSA-N 1 2 349.261 3.709 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000167449844 1024051773 /nfs/dbraw/zinc/05/17/73/1024051773.db2.gz LSMICYCDMAJSKS-IBGZPJMESA-N 1 2 332.407 3.553 20 0 EHADLO COc1cccc(N2CC[NH+](Cc3cc(C)c(F)c(F)c3)CC2)c1 ZINC001143592482 1024054719 /nfs/dbraw/zinc/05/47/19/1024054719.db2.gz SEZCHNPFVQMNDH-UHFFFAOYSA-N 1 2 332.394 3.604 20 0 EHADLO CCn1c2ccccc2nc1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000017194269 1024072222 /nfs/dbraw/zinc/07/22/22/1024072222.db2.gz WQMGMWIGKLQVMD-UHFFFAOYSA-N 1 2 334.467 3.687 20 0 EHADLO CC(C)c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000514059903 1024083790 /nfs/dbraw/zinc/08/37/90/1024083790.db2.gz YWFOKJGXDLNBGP-UHFFFAOYSA-N 1 2 326.444 3.506 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c(F)c1 ZINC000135474896 1033182707 /nfs/dbraw/zinc/18/27/07/1033182707.db2.gz OEMSZZYMEBPOEK-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c(F)c1 ZINC000135474896 1033182714 /nfs/dbraw/zinc/18/27/14/1033182714.db2.gz OEMSZZYMEBPOEK-LLVKDONJSA-N 1 2 336.432 3.879 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346030719 1024117662 /nfs/dbraw/zinc/11/76/62/1024117662.db2.gz GMVGLHKUFOLKAB-SFHVURJKSA-N 1 2 344.414 3.627 20 0 EHADLO CC(C)c1cc(Nc2ccc(NC3CCCC3)[nH+]c2)n2ncnc2n1 ZINC000522622318 1024122801 /nfs/dbraw/zinc/12/28/01/1024122801.db2.gz IUGOLJRELYHGEC-UHFFFAOYSA-N 1 2 337.431 3.741 20 0 EHADLO CCc1cc(C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000134632062 1024149136 /nfs/dbraw/zinc/14/91/36/1024149136.db2.gz OIARNLUAACBMHN-UHFFFAOYSA-N 1 2 333.457 3.845 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000151522889 1024150698 /nfs/dbraw/zinc/15/06/98/1024150698.db2.gz GQLCCJIWAIONKH-AWEZNQCLSA-N 1 2 346.862 3.869 20 0 EHADLO COC(=O)C1([NH2+]Cc2ccc(O)c3nc(C)ccc23)CCCCCC1 ZINC000514134023 1024160821 /nfs/dbraw/zinc/16/08/21/1024160821.db2.gz GWTAWMRSFTYSSN-UHFFFAOYSA-N 1 2 342.439 3.604 20 0 EHADLO CC(C)c1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C(C)C)c1 ZINC000520593149 1024177959 /nfs/dbraw/zinc/17/79/59/1024177959.db2.gz PTIPGUWITSUQEI-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO CC(C)c1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c(C(C)C)c1 ZINC000520593149 1024177968 /nfs/dbraw/zinc/17/79/68/1024177968.db2.gz PTIPGUWITSUQEI-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000343305179 1024182162 /nfs/dbraw/zinc/18/21/62/1024182162.db2.gz UGZYPEXUSCJWPH-PBXUPMNYSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000343305179 1024182168 /nfs/dbraw/zinc/18/21/68/1024182168.db2.gz UGZYPEXUSCJWPH-PBXUPMNYSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3=CCCC3)n2)C1 ZINC000664428890 1024186622 /nfs/dbraw/zinc/18/66/22/1024186622.db2.gz JMJDEMVUWFZLIJ-CYBMUJFWSA-N 1 2 334.489 3.607 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3=CCCC3)n2)C1 ZINC000664428890 1024186629 /nfs/dbraw/zinc/18/66/29/1024186629.db2.gz JMJDEMVUWFZLIJ-CYBMUJFWSA-N 1 2 334.489 3.607 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(F)c1 ZINC000022289871 1024195940 /nfs/dbraw/zinc/19/59/40/1024195940.db2.gz OSZIJFFXYYHLLP-UHFFFAOYSA-N 1 2 349.431 3.529 20 0 EHADLO Cc1cscc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443606318 1024226577 /nfs/dbraw/zinc/22/65/77/1024226577.db2.gz XEZMWRFJSDKWEW-UHFFFAOYSA-N 1 2 349.887 3.890 20 0 EHADLO Cc1cscc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443606318 1024226591 /nfs/dbraw/zinc/22/65/91/1024226591.db2.gz XEZMWRFJSDKWEW-UHFFFAOYSA-N 1 2 349.887 3.890 20 0 EHADLO Cc1ccsc1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342143090 1024230014 /nfs/dbraw/zinc/23/00/14/1024230014.db2.gz VRAQOPDYMRFGFD-OAHLLOKOSA-N 1 2 325.437 3.618 20 0 EHADLO CCON(CC1CCCCC1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001299176605 1024251343 /nfs/dbraw/zinc/25/13/43/1024251343.db2.gz IMCGOHRVPKCNOA-UHFFFAOYSA-N 1 2 329.444 3.546 20 0 EHADLO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277237528 1024284922 /nfs/dbraw/zinc/28/49/22/1024284922.db2.gz LLMNHPKVBTVJCW-SECBINFHSA-N 1 2 342.201 3.875 20 0 EHADLO CCc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cnn1C(CC)CC ZINC000330047723 1024300297 /nfs/dbraw/zinc/30/02/97/1024300297.db2.gz HWDMMHMKTWMNKX-UHFFFAOYSA-N 1 2 343.475 3.550 20 0 EHADLO CCc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cnn1C(CC)CC ZINC000330047723 1024300317 /nfs/dbraw/zinc/30/03/17/1024300317.db2.gz HWDMMHMKTWMNKX-UHFFFAOYSA-N 1 2 343.475 3.550 20 0 EHADLO CCc1occc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000431564746 1033200452 /nfs/dbraw/zinc/20/04/52/1033200452.db2.gz JISAMNFFPINHEO-UHFFFAOYSA-N 1 2 346.858 3.844 20 0 EHADLO CCc1occc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000431564746 1033200459 /nfs/dbraw/zinc/20/04/59/1033200459.db2.gz JISAMNFFPINHEO-UHFFFAOYSA-N 1 2 346.858 3.844 20 0 EHADLO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2ncccn2)CC1 ZINC000330136021 1024331946 /nfs/dbraw/zinc/33/19/46/1024331946.db2.gz TWZHMFQYRVDEEW-KRWDZBQOSA-N 1 2 342.830 3.727 20 0 EHADLO Clc1nc2sccc2c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895347304 1024336993 /nfs/dbraw/zinc/33/69/93/1024336993.db2.gz UZMVEGHOEJRJIQ-UHFFFAOYSA-N 1 2 345.859 3.821 20 0 EHADLO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191491626 1024342389 /nfs/dbraw/zinc/34/23/89/1024342389.db2.gz DQYUSMKNMFVQAC-AWEZNQCLSA-N 1 2 333.480 3.599 20 0 EHADLO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191491626 1024342403 /nfs/dbraw/zinc/34/24/03/1024342403.db2.gz DQYUSMKNMFVQAC-AWEZNQCLSA-N 1 2 333.480 3.599 20 0 EHADLO c1csc(-c2cncc(N3CCC(Nc4cccc[nH+]4)CC3)n2)c1 ZINC000895349186 1024356160 /nfs/dbraw/zinc/35/61/60/1024356160.db2.gz JZQCOYBAGTYETC-UHFFFAOYSA-N 1 2 337.452 3.681 20 0 EHADLO Cc1c2ccccc2oc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505491965 1024356531 /nfs/dbraw/zinc/35/65/31/1024356531.db2.gz VEPGFQRRHYVIKZ-KRWDZBQOSA-N 1 2 338.382 3.667 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1coc(C2CCCCC2)n1 ZINC000330253558 1024373051 /nfs/dbraw/zinc/37/30/51/1024373051.db2.gz OVFHWFXUIZAZBT-UHFFFAOYSA-N 1 2 342.443 3.527 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccc(F)cc3o2)cc(OC)c1 ZINC000342201490 1024385438 /nfs/dbraw/zinc/38/54/38/1024385438.db2.gz KEDKXGCWKZOWIP-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccc(F)cc3o2)cc(OC)c1 ZINC000342201490 1024385450 /nfs/dbraw/zinc/38/54/50/1024385450.db2.gz KEDKXGCWKZOWIP-UHFFFAOYSA-N 1 2 330.359 3.616 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c(Cl)c1C ZINC000505507178 1024390159 /nfs/dbraw/zinc/39/01/59/1024390159.db2.gz PWKXZTQOTYYYOV-QGZVFWFLSA-N 1 2 346.833 3.883 20 0 EHADLO CCc1ccc(C[NH2+]Cc2nc3c(cccc3Br)[nH]2)o1 ZINC000449782527 1033210076 /nfs/dbraw/zinc/21/00/76/1033210076.db2.gz ZOXDUUUBSAHLER-UHFFFAOYSA-N 1 2 334.217 3.771 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3CCCCCC3)CC2)c1 ZINC000505519034 1024428938 /nfs/dbraw/zinc/42/89/38/1024428938.db2.gz ICJAIRKMXGXAQB-QGZVFWFLSA-N 1 2 344.499 3.871 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505529226 1024440791 /nfs/dbraw/zinc/44/07/91/1024440791.db2.gz FWKQHKMANOFRQU-JXFKEZNVSA-N 1 2 340.442 3.883 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664450262 1024444415 /nfs/dbraw/zinc/44/44/15/1024444415.db2.gz MXKWDGYMKUWHTI-SFHVURJKSA-N 1 2 334.423 3.520 20 0 EHADLO CCn1nc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c2ccccc21 ZINC000472041105 1024448856 /nfs/dbraw/zinc/44/88/56/1024448856.db2.gz KLVQGSWGLGROPS-INIZCTEOSA-N 1 2 327.815 3.933 20 0 EHADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664449549 1024452170 /nfs/dbraw/zinc/45/21/70/1024452170.db2.gz RVGRTYYOGORUOS-VHRNVKJDSA-N 1 2 348.516 3.924 20 0 EHADLO Cc1ncoc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000895390206 1024456066 /nfs/dbraw/zinc/45/60/66/1024456066.db2.gz JRRBZMYCNNNEIC-SSDOTTSWSA-N 1 2 331.160 3.875 20 0 EHADLO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000614656549 1024459169 /nfs/dbraw/zinc/45/91/69/1024459169.db2.gz CRNWOJIVYJUQOX-ZWKOTPCHSA-N 1 2 339.483 4.000 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473728 1024473052 /nfs/dbraw/zinc/47/30/52/1024473052.db2.gz NBECRBIDOBUBCK-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473728 1024473057 /nfs/dbraw/zinc/47/30/57/1024473057.db2.gz NBECRBIDOBUBCK-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO CCCNC(=O)C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474184842 1024546385 /nfs/dbraw/zinc/54/63/85/1024546385.db2.gz YVNBOKKZUXQTRB-UHFFFAOYSA-N 1 2 341.293 3.576 20 0 EHADLO CCCNC(=O)C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474184842 1024546392 /nfs/dbraw/zinc/54/63/92/1024546392.db2.gz YVNBOKKZUXQTRB-UHFFFAOYSA-N 1 2 341.293 3.576 20 0 EHADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCC[C@H](C)C1 ZINC000459181716 1024548359 /nfs/dbraw/zinc/54/83/59/1024548359.db2.gz XWSQAFWVELREQI-JYJNAYRXSA-N 1 2 332.492 3.576 20 0 EHADLO CC(C)Sc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068252629 1024554967 /nfs/dbraw/zinc/55/49/67/1024554967.db2.gz LWSRSUUZRLRSHQ-UHFFFAOYSA-N 1 2 340.492 3.933 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C(F)F)c(F)c2)n1 ZINC000895541865 1024599827 /nfs/dbraw/zinc/59/98/27/1024599827.db2.gz ATCQTLNHOOFYPJ-UHFFFAOYSA-N 1 2 325.334 3.592 20 0 EHADLO COc1nccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1F ZINC000895559347 1024611410 /nfs/dbraw/zinc/61/14/10/1024611410.db2.gz POKAPHFYVRMKBX-UHFFFAOYSA-N 1 2 331.416 3.864 20 0 EHADLO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000514628952 1024618761 /nfs/dbraw/zinc/61/87/61/1024618761.db2.gz WYYBONDTVPFVFK-YUELXQCFSA-N 1 2 338.377 3.852 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc3n(n2)CCC3)c2ccccc2)cc1 ZINC000657291949 1024640349 /nfs/dbraw/zinc/64/03/49/1024640349.db2.gz DUMDIUAOXRTHNS-OAQYLSRUSA-N 1 2 333.435 3.717 20 0 EHADLO CCC[C@@H]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671067 1024647689 /nfs/dbraw/zinc/64/76/89/1024647689.db2.gz ZONXJUWILMWMOH-SJLPKXTDSA-N 1 2 349.544 3.824 20 0 EHADLO CCC[C@H](C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)C(C)C ZINC000614671035 1024647922 /nfs/dbraw/zinc/64/79/22/1024647922.db2.gz CYGZRLUCAOVRKO-KRWDZBQOSA-N 1 2 337.533 3.680 20 0 EHADLO c1cc2cccc(-c3noc([C@@H]4CCC[C@@H](c5ccccc5)[NH2+]4)n3)n2n1 ZINC001211884793 1024658316 /nfs/dbraw/zinc/65/83/16/1024658316.db2.gz HWNRFBWKJROJRL-IRXDYDNUSA-N 1 2 345.406 3.940 20 0 EHADLO Cc1nc2cc(Cl)c(NC(=O)N[C@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000435178602 1024681584 /nfs/dbraw/zinc/68/15/84/1024681584.db2.gz UXJFMHRPDNJULJ-SECBINFHSA-N 1 2 349.847 3.665 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2nc(C)c(-c3ccccc3)s2)c[nH+]1 ZINC000895677517 1024708679 /nfs/dbraw/zinc/70/86/79/1024708679.db2.gz NEAZXPSBLPENFL-UHFFFAOYSA-N 1 2 340.452 3.997 20 0 EHADLO COc1ccc(F)cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000507834875 1024711299 /nfs/dbraw/zinc/71/12/99/1024711299.db2.gz DZAYNUZPDBYRMD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO COc1ccc(F)cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000507834875 1024711312 /nfs/dbraw/zinc/71/13/12/1024711312.db2.gz DZAYNUZPDBYRMD-UHFFFAOYSA-N 1 2 348.393 3.823 20 0 EHADLO CC[C@H](C)c1ncc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425304294 1024722498 /nfs/dbraw/zinc/72/24/98/1024722498.db2.gz PXVRPKCYEQTOAF-WMLDXEAASA-N 1 2 349.438 3.874 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]1c1cccc(F)c1 ZINC000346434270 1024731553 /nfs/dbraw/zinc/73/15/53/1024731553.db2.gz OLGIGFBIVUXTCP-DWQUBVKVSA-N 1 2 327.403 3.578 20 0 EHADLO OCc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc1F ZINC000346441138 1024735338 /nfs/dbraw/zinc/73/53/38/1024735338.db2.gz KOHQSTLMMGDFDR-FQEVSTJZSA-N 1 2 340.373 3.731 20 0 EHADLO COc1c2ccccc2[nH]c1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000505638940 1024737470 /nfs/dbraw/zinc/73/74/70/1024737470.db2.gz PLTKYKIGZPECMQ-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705008 1024745246 /nfs/dbraw/zinc/74/52/46/1024745246.db2.gz OWFIFFWECNLPRV-MSOLQXFVSA-N 1 2 343.515 3.893 20 0 EHADLO CC[C@@H]1CCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425315548 1024750969 /nfs/dbraw/zinc/75/09/69/1024750969.db2.gz ORJAEIRDNFOLNB-NXHRZFHOSA-N 1 2 325.456 3.874 20 0 EHADLO Cc1cc(F)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(F)c1 ZINC000425320171 1024757386 /nfs/dbraw/zinc/75/73/86/1024757386.db2.gz CCHBITYRXLFWGL-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO Cc1cc(F)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(F)c1 ZINC000425320171 1024757398 /nfs/dbraw/zinc/75/73/98/1024757398.db2.gz CCHBITYRXLFWGL-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+](C)Cc3ccccc3Br)cc12 ZINC000505657209 1024765913 /nfs/dbraw/zinc/76/59/13/1024765913.db2.gz DHIMFLKQSXPBJJ-UHFFFAOYSA-N 1 2 345.244 3.661 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+](C)Cc3ccccc3Br)cc12 ZINC000505657209 1024765923 /nfs/dbraw/zinc/76/59/23/1024765923.db2.gz DHIMFLKQSXPBJJ-UHFFFAOYSA-N 1 2 345.244 3.661 20 0 EHADLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342301926 1024771079 /nfs/dbraw/zinc/77/10/79/1024771079.db2.gz NLVHZXWAYYSSDH-UHFFFAOYSA-N 1 2 348.288 3.666 20 0 EHADLO Cc1nn(C)c(C)c1C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342301926 1024771089 /nfs/dbraw/zinc/77/10/89/1024771089.db2.gz NLVHZXWAYYSSDH-UHFFFAOYSA-N 1 2 348.288 3.666 20 0 EHADLO Cc1cc(F)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)c(F)c1 ZINC000425328777 1024773834 /nfs/dbraw/zinc/77/38/34/1024773834.db2.gz UYIMJDNIHAUDLJ-UHFFFAOYSA-N 1 2 346.421 3.742 20 0 EHADLO Cc1cc(F)c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(F)c1 ZINC000425328777 1024773846 /nfs/dbraw/zinc/77/38/46/1024773846.db2.gz UYIMJDNIHAUDLJ-UHFFFAOYSA-N 1 2 346.421 3.742 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 ZINC000399052814 1024849767 /nfs/dbraw/zinc/84/97/67/1024849767.db2.gz LTGOPUGEJSJDDV-UHFFFAOYSA-N 1 2 344.459 3.848 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000563210845 1024862149 /nfs/dbraw/zinc/86/21/49/1024862149.db2.gz SLIPAFQSJLBJBL-ZFWWWQNUSA-N 1 2 340.452 3.808 20 0 EHADLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425365782 1024866089 /nfs/dbraw/zinc/86/60/89/1024866089.db2.gz MQCQNBCXNZTQEL-SJLPKXTDSA-N 1 2 335.806 3.796 20 0 EHADLO COc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425365782 1024866105 /nfs/dbraw/zinc/86/61/05/1024866105.db2.gz MQCQNBCXNZTQEL-SJLPKXTDSA-N 1 2 335.806 3.796 20 0 EHADLO FCCn1cc(C[N@H+](Cc2cccs2)Cc2ccncc2)cn1 ZINC000897929285 1033242377 /nfs/dbraw/zinc/24/23/77/1033242377.db2.gz PGXHXUZFDWQEMA-UHFFFAOYSA-N 1 2 330.432 3.512 20 0 EHADLO FCCn1cc(C[N@@H+](Cc2cccs2)Cc2ccncc2)cn1 ZINC000897929285 1033242386 /nfs/dbraw/zinc/24/23/86/1033242386.db2.gz PGXHXUZFDWQEMA-UHFFFAOYSA-N 1 2 330.432 3.512 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000346543492 1024879611 /nfs/dbraw/zinc/87/96/11/1024879611.db2.gz FXKMFNNQKHVTFQ-ZIAGYGMSSA-N 1 2 328.464 3.548 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccco1 ZINC000607633346 1033242887 /nfs/dbraw/zinc/24/28/87/1033242887.db2.gz NVFSVTJBGKYLAP-QWHCGFSZSA-N 1 2 333.457 3.710 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccco1 ZINC000607633346 1033242902 /nfs/dbraw/zinc/24/29/02/1033242902.db2.gz NVFSVTJBGKYLAP-QWHCGFSZSA-N 1 2 333.457 3.710 20 0 EHADLO c1sc2ccccc2c1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000333685629 1024905914 /nfs/dbraw/zinc/90/59/14/1024905914.db2.gz IOWLHMAOSUTMIC-SWLSCSKDSA-N 1 2 341.436 3.877 20 0 EHADLO c1sc2ccccc2c1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000333685629 1024905921 /nfs/dbraw/zinc/90/59/21/1024905921.db2.gz IOWLHMAOSUTMIC-SWLSCSKDSA-N 1 2 341.436 3.877 20 0 EHADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435449598 1024919314 /nfs/dbraw/zinc/91/93/14/1024919314.db2.gz TWOAXYKWINBDDZ-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435449598 1024919316 /nfs/dbraw/zinc/91/93/16/1024919316.db2.gz TWOAXYKWINBDDZ-OAHLLOKOSA-N 1 2 349.837 3.510 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428003625 1024923328 /nfs/dbraw/zinc/92/33/28/1024923328.db2.gz DHUYJYKWSRTCEZ-LJQANCHMSA-N 1 2 345.446 3.536 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000761052480 1033246249 /nfs/dbraw/zinc/24/62/49/1033246249.db2.gz OMJNZZXMMJHUDL-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000761052480 1033246262 /nfs/dbraw/zinc/24/62/62/1033246262.db2.gz OMJNZZXMMJHUDL-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618373 1024929191 /nfs/dbraw/zinc/92/91/91/1024929191.db2.gz YPUMEHPSGZHFOA-CAYVGHNUSA-N 1 2 343.421 3.522 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cc3c(ccnc3Cl)o1)C2 ZINC000895888330 1024942678 /nfs/dbraw/zinc/94/26/78/1024942678.db2.gz SMPJSEBXKYHBCP-UHFFFAOYSA-N 1 2 344.798 3.754 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cc3c(ccnc3Cl)o1)C2 ZINC000895888330 1024942686 /nfs/dbraw/zinc/94/26/86/1024942686.db2.gz SMPJSEBXKYHBCP-UHFFFAOYSA-N 1 2 344.798 3.754 20 0 EHADLO COc1cccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)n1 ZINC001211885641 1024975709 /nfs/dbraw/zinc/97/57/09/1024975709.db2.gz RIMBNRACBWWIFK-GDBMZVCRSA-N 1 2 336.395 3.696 20 0 EHADLO Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(C2CC2)[nH+]1 ZINC000346674926 1025010358 /nfs/dbraw/zinc/01/03/58/1025010358.db2.gz OVPFEKCPWIGBLH-UHFFFAOYSA-N 1 2 328.847 3.642 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)CCCO1 ZINC000281421818 1025017218 /nfs/dbraw/zinc/01/72/18/1025017218.db2.gz YYSIYRKHJXRJNV-MRXNPFEDSA-N 1 2 332.469 3.723 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)CCCO1 ZINC000281421818 1025017231 /nfs/dbraw/zinc/01/72/31/1025017231.db2.gz YYSIYRKHJXRJNV-MRXNPFEDSA-N 1 2 332.469 3.723 20 0 EHADLO COCC1C[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000895971086 1025027309 /nfs/dbraw/zinc/02/73/09/1025027309.db2.gz KLUBSNDTKLSGGW-UHFFFAOYSA-N 1 2 327.268 3.802 20 0 EHADLO CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000157669417 1025028253 /nfs/dbraw/zinc/02/82/53/1025028253.db2.gz JXVAYYUXNZFWOR-GOSISDBHSA-N 1 2 341.430 3.631 20 0 EHADLO COC1(OC)CC2(C[N@H+](Cc3cc(F)c(F)cc3F)[C@@H]2C(C)C)C1 ZINC000895988976 1025046773 /nfs/dbraw/zinc/04/67/73/1025046773.db2.gz HLVOSQOCPMSIRC-MRXNPFEDSA-N 1 2 343.389 3.713 20 0 EHADLO COC1(OC)CC2(C[N@@H+](Cc3cc(F)c(F)cc3F)[C@@H]2C(C)C)C1 ZINC000895988976 1025046780 /nfs/dbraw/zinc/04/67/80/1025046780.db2.gz HLVOSQOCPMSIRC-MRXNPFEDSA-N 1 2 343.389 3.713 20 0 EHADLO CCCc1nc(C)c(C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)o1 ZINC000428213709 1025051201 /nfs/dbraw/zinc/05/12/01/1025051201.db2.gz VKYXUKVDVLKBCV-SJORKVTESA-N 1 2 348.487 3.879 20 0 EHADLO CCCc1nc(C)c(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)o1 ZINC000428213709 1025051209 /nfs/dbraw/zinc/05/12/09/1025051209.db2.gz VKYXUKVDVLKBCV-SJORKVTESA-N 1 2 348.487 3.879 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435664456 1025056835 /nfs/dbraw/zinc/05/68/35/1025056835.db2.gz RMJOSLJEXPBXBB-IHPCNDPISA-N 1 2 341.426 3.836 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435675055 1025075450 /nfs/dbraw/zinc/07/54/50/1025075450.db2.gz SWUZDFCTHXBUCH-ZWOKBUDYSA-N 1 2 341.426 3.836 20 0 EHADLO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000897947355 1033257248 /nfs/dbraw/zinc/25/72/48/1033257248.db2.gz INQJOSNDFOCFDS-QMTHXVAHSA-N 1 2 344.263 3.887 20 0 EHADLO Cc1cc(NCCc2nc(-c3ccncc3)cs2)nc(C(C)C)[nH+]1 ZINC000582039984 1025077964 /nfs/dbraw/zinc/07/79/64/1025077964.db2.gz DTDVJGBMIUFZDA-UHFFFAOYSA-N 1 2 339.468 3.503 20 0 EHADLO CCc1ncsc1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000371008324 1025081012 /nfs/dbraw/zinc/08/10/12/1025081012.db2.gz KPNXFVMLVIOGEU-UHFFFAOYSA-N 1 2 326.425 3.965 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 ZINC000346788797 1025100951 /nfs/dbraw/zinc/10/09/51/1025100951.db2.gz FUMZLNSFSBZVAX-AWEZNQCLSA-N 1 2 332.492 3.524 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761052320 1033259788 /nfs/dbraw/zinc/25/97/88/1033259788.db2.gz XGKQBVLGXCYAJI-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761052320 1033259797 /nfs/dbraw/zinc/25/97/97/1033259797.db2.gz XGKQBVLGXCYAJI-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO Cc1cccc([C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C)c1 ZINC000548657732 1025120891 /nfs/dbraw/zinc/12/08/91/1025120891.db2.gz SYXJYDXKTNDPED-FUHWJXTLSA-N 1 2 340.471 3.593 20 0 EHADLO C[C@H](NC(=O)N[C@@H]1CCC[C@@H](F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582059502 1025135651 /nfs/dbraw/zinc/13/56/51/1025135651.db2.gz PMQDKLLZMTWINU-NUEKZKHPSA-N 1 2 330.407 3.513 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)n1cc[nH+]c1 ZINC000582065702 1025138759 /nfs/dbraw/zinc/13/87/59/1025138759.db2.gz BJKMMISLXDISFA-FRFSOERESA-N 1 2 331.847 3.940 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582065183 1025141452 /nfs/dbraw/zinc/14/14/52/1025141452.db2.gz CRUOVTQEOBKKNX-APWZRJJASA-N 1 2 325.456 3.658 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000469719585 1025142267 /nfs/dbraw/zinc/14/22/67/1025142267.db2.gz YRQWZELUZWTRHV-HNNXBMFYSA-N 1 2 349.548 3.991 20 0 EHADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000469719585 1025142274 /nfs/dbraw/zinc/14/22/74/1025142274.db2.gz YRQWZELUZWTRHV-HNNXBMFYSA-N 1 2 349.548 3.991 20 0 EHADLO CC(C)[N@@H+](Cc1cccc2c1NCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000346820149 1025147320 /nfs/dbraw/zinc/14/73/20/1025147320.db2.gz JKWFKJIOLXSGLX-UHFFFAOYSA-N 1 2 348.450 3.714 20 0 EHADLO CC(C)[N@H+](Cc1cccc2c1NCC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000346820149 1025147323 /nfs/dbraw/zinc/14/73/23/1025147323.db2.gz JKWFKJIOLXSGLX-UHFFFAOYSA-N 1 2 348.450 3.714 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000152083102 1025154441 /nfs/dbraw/zinc/15/44/41/1025154441.db2.gz FDHFDYVRBRVMPZ-OLZOCXBDSA-N 1 2 347.821 3.596 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](c3ccccc3)CC2)c[nH+]1 ZINC000896127000 1025163089 /nfs/dbraw/zinc/16/30/89/1025163089.db2.gz RWLHGRJWJRBMAA-GOSISDBHSA-N 1 2 325.456 3.723 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390697 1025163960 /nfs/dbraw/zinc/16/39/60/1025163960.db2.gz QSMNQRTUVYKDIQ-MCIONIFRSA-N 1 2 336.505 3.780 20 0 EHADLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000342390697 1025163965 /nfs/dbraw/zinc/16/39/65/1025163965.db2.gz QSMNQRTUVYKDIQ-MCIONIFRSA-N 1 2 336.505 3.780 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CCC2(CC2)CC1 ZINC000277458610 1025179914 /nfs/dbraw/zinc/17/99/14/1025179914.db2.gz NVSCEBJSKUHJGU-UHFFFAOYSA-N 1 2 342.487 3.594 20 0 EHADLO CC1(C)C[N@H+](CC2=Cc3ccccc3OC2)C[C@@](C)(C(F)(F)F)O1 ZINC000582078337 1025196702 /nfs/dbraw/zinc/19/67/02/1025196702.db2.gz FQGDKVOHFVENDZ-KRWDZBQOSA-N 1 2 341.373 3.894 20 0 EHADLO CC1(C)C[N@@H+](CC2=Cc3ccccc3OC2)C[C@@](C)(C(F)(F)F)O1 ZINC000582078337 1025196706 /nfs/dbraw/zinc/19/67/06/1025196706.db2.gz FQGDKVOHFVENDZ-KRWDZBQOSA-N 1 2 341.373 3.894 20 0 EHADLO Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc[nH+]1 ZINC000346847759 1025217485 /nfs/dbraw/zinc/21/74/85/1025217485.db2.gz TXOAZZZSMFFQPY-UHFFFAOYSA-N 1 2 347.205 3.557 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000281560459 1025231033 /nfs/dbraw/zinc/23/10/33/1025231033.db2.gz LDXBDXMCJHNUPC-ZCNNSNEGSA-N 1 2 337.467 3.538 20 0 EHADLO Cc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000474654540 1025285273 /nfs/dbraw/zinc/28/52/73/1025285273.db2.gz JUQIGCIECJRUAX-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO Cc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000474654540 1025285277 /nfs/dbraw/zinc/28/52/77/1025285277.db2.gz JUQIGCIECJRUAX-UHFFFAOYSA-N 1 2 342.870 3.745 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000521321976 1025328086 /nfs/dbraw/zinc/32/80/86/1025328086.db2.gz RHMYBSPBUKCING-GOSISDBHSA-N 1 2 339.483 3.759 20 0 EHADLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000051451171 1025343852 /nfs/dbraw/zinc/34/38/52/1025343852.db2.gz KTSMXZUXPYHNLD-UHFFFAOYSA-N 1 2 347.802 3.627 20 0 EHADLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000051451171 1025343867 /nfs/dbraw/zinc/34/38/67/1025343867.db2.gz KTSMXZUXPYHNLD-UHFFFAOYSA-N 1 2 347.802 3.627 20 0 EHADLO Brc1ccc(C2([NH2+]Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000657345347 1025344909 /nfs/dbraw/zinc/34/49/09/1025344909.db2.gz LRBVWYGIXBNTHE-UHFFFAOYSA-N 1 2 347.260 3.545 20 0 EHADLO Cc1cccc(C)c1OCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342421565 1025347365 /nfs/dbraw/zinc/34/73/65/1025347365.db2.gz HOPOAJISXORWDQ-UHFFFAOYSA-N 1 2 349.434 3.688 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000574534223 1033277862 /nfs/dbraw/zinc/27/78/62/1033277862.db2.gz MLJSWTJJJNJIKJ-OAQYLSRUSA-N 1 2 349.409 3.892 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC4(CCC4)[C@H]3c3ccco3)[nH+]c12 ZINC000574533789 1033277947 /nfs/dbraw/zinc/27/79/47/1033277947.db2.gz YIYOFQFSPWLWEW-GOSISDBHSA-N 1 2 335.407 3.532 20 0 EHADLO Cc1cnc(NCCc2cn3cccc(C)c3[nH+]2)c(Br)c1 ZINC000684762181 1025358086 /nfs/dbraw/zinc/35/80/86/1025358086.db2.gz OBEWRICHDQLRPO-UHFFFAOYSA-N 1 2 345.244 3.763 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2)c(F)c1 ZINC000346967203 1025362662 /nfs/dbraw/zinc/36/26/62/1025362662.db2.gz DQEOJAYBEDCVRJ-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]3c3cccnc3)n2)c(F)c1 ZINC000346967203 1025362677 /nfs/dbraw/zinc/36/26/77/1025362677.db2.gz DQEOJAYBEDCVRJ-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCC1(F)F ZINC000515559660 1025369913 /nfs/dbraw/zinc/36/99/13/1025369913.db2.gz RIYRHMIKABGJFK-NSHDSACASA-N 1 2 327.325 3.628 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)CCC1(F)F ZINC000515559660 1025369925 /nfs/dbraw/zinc/36/99/25/1025369925.db2.gz RIYRHMIKABGJFK-NSHDSACASA-N 1 2 327.325 3.628 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1c(F)ccc(Br)c1F ZINC000684770209 1025402021 /nfs/dbraw/zinc/40/20/21/1025402021.db2.gz OPIHKRJGCPEUHJ-UHFFFAOYSA-N 1 2 336.220 3.974 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1c(F)ccc(Br)c1F ZINC000684770209 1025402014 /nfs/dbraw/zinc/40/20/14/1025402014.db2.gz OPIHKRJGCPEUHJ-UHFFFAOYSA-N 1 2 336.220 3.974 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000324381648 1025418472 /nfs/dbraw/zinc/41/84/72/1025418472.db2.gz NJIDPCKFOMHANC-HUUCEWRRSA-N 1 2 328.460 3.815 20 0 EHADLO CCON(Cc1ccccc1)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001141892173 1025430677 /nfs/dbraw/zinc/43/06/77/1025430677.db2.gz UTYDUSRGQSQOER-UHFFFAOYSA-N 1 2 347.418 3.841 20 0 EHADLO C[C@H](CC(=O)NCC(C)(C)c1cccc(Cl)c1F)n1cc[nH+]c1 ZINC000515655389 1025437642 /nfs/dbraw/zinc/43/76/42/1025437642.db2.gz HRPYMHFLBYXEHA-GFCCVEGCSA-N 1 2 337.826 3.721 20 0 EHADLO Cc1cc(Br)cn2c(CN3CC[C@@H](C)[C@@H](F)C3)c[nH+]c12 ZINC000680333793 1025464351 /nfs/dbraw/zinc/46/43/51/1025464351.db2.gz COCDVEMUBLNQTC-YGRLFVJLSA-N 1 2 340.240 3.585 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cnc3ccc(C)cc3c2)s1 ZINC000425494709 1025472964 /nfs/dbraw/zinc/47/29/64/1025472964.db2.gz XXSISVJKAXXFKJ-GFCCVEGCSA-N 1 2 341.436 3.637 20 0 EHADLO Cc1cnc([C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000582158045 1025473503 /nfs/dbraw/zinc/47/35/03/1025473503.db2.gz DUPMZSAVKFYHMX-OAHLLOKOSA-N 1 2 331.423 3.873 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCC2(CC2)C1 ZINC000896479404 1025485681 /nfs/dbraw/zinc/48/56/81/1025485681.db2.gz OWJCJILOMZYWJD-QZTJIDSGSA-N 1 2 338.455 3.646 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cs1 ZINC000442793871 1025488785 /nfs/dbraw/zinc/48/87/85/1025488785.db2.gz BQWCMEDMVNLDCN-ZDUSSCGKSA-N 1 2 329.469 3.854 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347079590 1025500618 /nfs/dbraw/zinc/50/06/18/1025500618.db2.gz JBORDGMOTOAVFY-QRWLVFNGSA-N 1 2 331.419 3.595 20 0 EHADLO CC1=CCC[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000436256629 1025513183 /nfs/dbraw/zinc/51/31/83/1025513183.db2.gz AQFFBKJMASUUDE-UHFFFAOYSA-N 1 2 349.406 3.679 20 0 EHADLO CC1=CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000436256629 1025513198 /nfs/dbraw/zinc/51/31/98/1025513198.db2.gz AQFFBKJMASUUDE-UHFFFAOYSA-N 1 2 349.406 3.679 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000668603667 1025521459 /nfs/dbraw/zinc/52/14/59/1025521459.db2.gz IPPAJPIZSBGAHJ-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000668603667 1025521470 /nfs/dbraw/zinc/52/14/70/1025521470.db2.gz IPPAJPIZSBGAHJ-KRWDZBQOSA-N 1 2 330.453 3.562 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000347117483 1025531855 /nfs/dbraw/zinc/53/18/55/1025531855.db2.gz UQICZGDGUFUNHN-STQMWFEESA-N 1 2 343.393 3.547 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281833070 1025554264 /nfs/dbraw/zinc/55/42/64/1025554264.db2.gz VTIAUJFRNHUOHL-LBPRGKRZSA-N 1 2 349.887 3.954 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccco1 ZINC000530269774 1025556077 /nfs/dbraw/zinc/55/60/77/1025556077.db2.gz ZIGUTIGINDTFNL-JYJNAYRXSA-N 1 2 327.428 3.708 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cs1 ZINC000436316631 1025578015 /nfs/dbraw/zinc/57/80/15/1025578015.db2.gz SPYYXWGARYJJIK-JTQLQIEISA-N 1 2 334.470 3.592 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000546017551 1025583121 /nfs/dbraw/zinc/58/31/21/1025583121.db2.gz TWDIZQBSGQWAFF-HNNXBMFYSA-N 1 2 333.439 3.601 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cnc4ccccn43)no2)c1 ZINC000347136053 1025583140 /nfs/dbraw/zinc/58/31/40/1025583140.db2.gz NUVVGPRYVGOUIQ-UHFFFAOYSA-N 1 2 342.362 3.545 20 0 EHADLO Cc1nccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1Cl ZINC000124830087 1025592292 /nfs/dbraw/zinc/59/22/92/1025592292.db2.gz BNTUZYKUKHHCMB-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)o2)cc1 ZINC000442967937 1025627996 /nfs/dbraw/zinc/62/79/96/1025627996.db2.gz VPOMLOWOFWMSFV-HXUWFJFHSA-N 1 2 327.424 3.500 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)o2)cc1 ZINC000442967937 1025628008 /nfs/dbraw/zinc/62/80/08/1025628008.db2.gz VPOMLOWOFWMSFV-HXUWFJFHSA-N 1 2 327.424 3.500 20 0 EHADLO CCc1ccc([C@H](COC)[NH2+]Cc2cccc(OC3CC3)c2F)o1 ZINC000657376282 1025688189 /nfs/dbraw/zinc/68/81/89/1025688189.db2.gz QCYBSJPZRNBMJZ-INIZCTEOSA-N 1 2 333.403 4.000 20 0 EHADLO Cc1ccccc1CCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315954 1025724208 /nfs/dbraw/zinc/72/42/08/1025724208.db2.gz YNAWKCSTOVKUMI-FQEVSTJZSA-N 1 2 347.462 3.761 20 0 EHADLO COc1c(C)c[nH+]c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C ZINC000522828129 1025725022 /nfs/dbraw/zinc/72/50/22/1025725022.db2.gz VVFSQFSQLRCGRJ-UHFFFAOYSA-N 1 2 346.736 3.589 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000522833862 1025740075 /nfs/dbraw/zinc/74/00/75/1025740075.db2.gz PCMZSRYQBUEZQY-IFXJQAMLSA-N 1 2 344.455 3.943 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000522833862 1025740088 /nfs/dbraw/zinc/74/00/88/1025740088.db2.gz PCMZSRYQBUEZQY-IFXJQAMLSA-N 1 2 344.455 3.943 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282328 1025756952 /nfs/dbraw/zinc/75/69/52/1025756952.db2.gz LFKSOFIQSWMRLD-HKUYNNGSSA-N 1 2 349.833 3.649 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282328 1025756967 /nfs/dbraw/zinc/75/69/67/1025756967.db2.gz LFKSOFIQSWMRLD-HKUYNNGSSA-N 1 2 349.833 3.649 20 0 EHADLO CC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000521897201 1025767963 /nfs/dbraw/zinc/76/79/63/1025767963.db2.gz TUIBPUYLJCFNCB-UHFFFAOYSA-N 1 2 341.436 3.797 20 0 EHADLO Cc1cccn2cc(Cc3nc(CCCc4ccccc4)no3)[nH+]c12 ZINC000521910568 1025777571 /nfs/dbraw/zinc/77/75/71/1025777571.db2.gz BFPRMIDKNWTGJW-UHFFFAOYSA-N 1 2 332.407 3.792 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCCN(C)c2ccccc2)c(C)[nH+]1 ZINC000436499977 1025783700 /nfs/dbraw/zinc/78/37/00/1025783700.db2.gz YKAYZLRPJNNQDN-UHFFFAOYSA-N 1 2 326.444 3.655 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000436499659 1025784852 /nfs/dbraw/zinc/78/48/52/1025784852.db2.gz XUSLUCRTLAUPTB-CYBMUJFWSA-N 1 2 340.427 3.848 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000505839103 1025810141 /nfs/dbraw/zinc/81/01/41/1025810141.db2.gz KLPHPVUBCMDRGR-JKIKYLSZSA-N 1 2 341.476 3.638 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000505839103 1025810161 /nfs/dbraw/zinc/81/01/61/1025810161.db2.gz KLPHPVUBCMDRGR-JKIKYLSZSA-N 1 2 341.476 3.638 20 0 EHADLO C[N@H+](Cc1nc(Cc2cccc3ccccc32)no1)[C@@H]1CCSC1 ZINC000443206097 1025812228 /nfs/dbraw/zinc/81/22/28/1025812228.db2.gz VOCSWWMJFRLOEH-MRXNPFEDSA-N 1 2 339.464 3.751 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cccc3ccccc32)no1)[C@@H]1CCSC1 ZINC000443206097 1025812244 /nfs/dbraw/zinc/81/22/44/1025812244.db2.gz VOCSWWMJFRLOEH-MRXNPFEDSA-N 1 2 339.464 3.751 20 0 EHADLO C[NH+](C)C1(c2nc(COc3cccc(Cl)c3Cl)no2)CC1 ZINC000896672912 1025826829 /nfs/dbraw/zinc/82/68/29/1025826829.db2.gz NKALZAGPMZHTSM-UHFFFAOYSA-N 1 2 328.199 3.506 20 0 EHADLO CC(C)c1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncn1 ZINC000521970405 1025839007 /nfs/dbraw/zinc/83/90/07/1025839007.db2.gz HPAWJDKHABVAJU-AWEZNQCLSA-N 1 2 346.425 3.955 20 0 EHADLO CC(C)c1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncn1 ZINC000521970405 1025839025 /nfs/dbraw/zinc/83/90/25/1025839025.db2.gz HPAWJDKHABVAJU-AWEZNQCLSA-N 1 2 346.425 3.955 20 0 EHADLO Cc1cc(NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)c(C)c[nH+]1 ZINC000530441122 1025842451 /nfs/dbraw/zinc/84/24/51/1025842451.db2.gz ZQMUXPQZIGEKOH-LBPRGKRZSA-N 1 2 327.359 3.888 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(F)ccc1O ZINC000436544400 1025877437 /nfs/dbraw/zinc/87/74/37/1025877437.db2.gz OREJRYFOPKZOJR-UHFFFAOYSA-N 1 2 331.734 3.623 20 0 EHADLO COc1cccc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000530471535 1025881785 /nfs/dbraw/zinc/88/17/85/1025881785.db2.gz FVQYNEFREMXLHJ-JYJNAYRXSA-N 1 2 341.455 3.877 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)s1 ZINC000522034783 1025897560 /nfs/dbraw/zinc/89/75/60/1025897560.db2.gz GKIPJTWRURRVTC-QZTJIDSGSA-N 1 2 347.455 3.934 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)s1 ZINC000522034783 1025897577 /nfs/dbraw/zinc/89/75/77/1025897577.db2.gz GKIPJTWRURRVTC-QZTJIDSGSA-N 1 2 347.455 3.934 20 0 EHADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000451373366 1025904309 /nfs/dbraw/zinc/90/43/09/1025904309.db2.gz HOEQIVWWJFIFHH-NRFANRHFSA-N 1 2 343.279 3.628 20 0 EHADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000451373366 1025904322 /nfs/dbraw/zinc/90/43/22/1025904322.db2.gz HOEQIVWWJFIFHH-NRFANRHFSA-N 1 2 343.279 3.628 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2 ZINC000119766966 1025905584 /nfs/dbraw/zinc/90/55/84/1025905584.db2.gz YSYCNDBOHDYFTP-MNOVXSKESA-N 1 2 343.408 3.939 20 0 EHADLO COc1cccc([C@@H](C)CCCC(=O)NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000896909723 1025931425 /nfs/dbraw/zinc/93/14/25/1025931425.db2.gz CUWBEYZCLGFFIN-ZDUSSCGKSA-N 1 2 329.444 3.625 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443342616 1025934440 /nfs/dbraw/zinc/93/44/40/1025934440.db2.gz FFMNQAJTBSSMJN-MRXNPFEDSA-N 1 2 340.471 3.752 20 0 EHADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443342616 1025934448 /nfs/dbraw/zinc/93/44/48/1025934448.db2.gz FFMNQAJTBSSMJN-MRXNPFEDSA-N 1 2 340.471 3.752 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000474956593 1025951100 /nfs/dbraw/zinc/95/11/00/1025951100.db2.gz VMBJRAKHHMDQLZ-PXNSSMCTSA-N 1 2 341.451 3.828 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000474956593 1025951110 /nfs/dbraw/zinc/95/11/10/1025951110.db2.gz VMBJRAKHHMDQLZ-PXNSSMCTSA-N 1 2 341.451 3.828 20 0 EHADLO C/C(=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000896915348 1025979252 /nfs/dbraw/zinc/97/92/52/1025979252.db2.gz JWYHKUGTXVWIAA-JXMROGBWSA-N 1 2 337.345 3.765 20 0 EHADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639547828 1026030495 /nfs/dbraw/zinc/03/04/95/1026030495.db2.gz DDTTZCXOHWEGIB-GASCZTMLSA-N 1 2 340.389 3.984 20 0 EHADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639547828 1026030510 /nfs/dbraw/zinc/03/05/10/1026030510.db2.gz DDTTZCXOHWEGIB-GASCZTMLSA-N 1 2 340.389 3.984 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000516149772 1026057379 /nfs/dbraw/zinc/05/73/79/1026057379.db2.gz DRFGVQAQRPOSPN-HNNXBMFYSA-N 1 2 339.439 3.677 20 0 EHADLO Cc1cccc([C@@H](Nc2cc(NC3CC3)[nH+]cn2)c2ccccn2)c1 ZINC000516161037 1026069590 /nfs/dbraw/zinc/06/95/90/1026069590.db2.gz CQEXUHJMWGVQOM-HXUWFJFHSA-N 1 2 331.423 3.956 20 0 EHADLO Cc1cccc([C@@H](Nc2cc(NC3CC3)nc[nH+]2)c2ccccn2)c1 ZINC000516161037 1026069603 /nfs/dbraw/zinc/06/96/03/1026069603.db2.gz CQEXUHJMWGVQOM-HXUWFJFHSA-N 1 2 331.423 3.956 20 0 EHADLO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103314873 1026074779 /nfs/dbraw/zinc/07/47/79/1026074779.db2.gz UAGRCNPRFZRQMC-SJLPKXTDSA-N 1 2 332.492 3.835 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820776 1026081587 /nfs/dbraw/zinc/08/15/87/1026081587.db2.gz LXYADWROJLYXRB-HZPDHXFCSA-N 1 2 338.411 3.517 20 0 EHADLO COc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)c(Cl)cc1O ZINC000896823899 1026094635 /nfs/dbraw/zinc/09/46/35/1026094635.db2.gz YKQUXMZAPXUNAL-UHFFFAOYSA-N 1 2 338.860 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000451545614 1026096688 /nfs/dbraw/zinc/09/66/88/1026096688.db2.gz RJENEQRUAMZPMU-MQIPJXDCSA-N 1 2 342.842 3.553 20 0 EHADLO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000451545614 1026096709 /nfs/dbraw/zinc/09/67/09/1026096709.db2.gz RJENEQRUAMZPMU-MQIPJXDCSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000896985070 1026206953 /nfs/dbraw/zinc/20/69/53/1026206953.db2.gz PVQPHDGVSHXBFF-NSHDSACASA-N 1 2 345.896 3.533 20 0 EHADLO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000896985070 1026206966 /nfs/dbraw/zinc/20/69/66/1026206966.db2.gz PVQPHDGVSHXBFF-NSHDSACASA-N 1 2 345.896 3.533 20 0 EHADLO FC(F)n1ccnc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233875 1026242032 /nfs/dbraw/zinc/24/20/32/1026242032.db2.gz DHNCUOGZRLZHIP-UHFFFAOYSA-N 1 2 331.370 3.534 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000530754436 1026265712 /nfs/dbraw/zinc/26/57/12/1026265712.db2.gz ODYMAXNPBQLHKP-SFHVURJKSA-N 1 2 344.434 3.739 20 0 EHADLO c1ccc(-c2nc(C3CCCCC3)no2)c(C[NH+]2CCOCC2)c1 ZINC000277602555 1026266824 /nfs/dbraw/zinc/26/68/24/1026266824.db2.gz PYMLLHOSQIMYBL-UHFFFAOYSA-N 1 2 327.428 3.617 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000657433020 1026289221 /nfs/dbraw/zinc/28/92/21/1026289221.db2.gz MYLQCBISDHRUBP-YVEFUNNKSA-N 1 2 349.377 3.602 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475189207 1026312794 /nfs/dbraw/zinc/31/27/94/1026312794.db2.gz HXLOBTGVUFMRCA-QUCCMNQESA-N 1 2 343.515 3.589 20 0 EHADLO CCC(CC)c1nnc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000111714607 1026312860 /nfs/dbraw/zinc/31/28/60/1026312860.db2.gz JIGGBPKDSYRMNQ-UHFFFAOYSA-N 1 2 348.476 3.507 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCc3c2cccc3C)c1 ZINC000530818623 1026316649 /nfs/dbraw/zinc/31/66/49/1026316649.db2.gz OBNRYEJOFZMOJJ-IBGZPJMESA-N 1 2 331.419 3.906 20 0 EHADLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000451846215 1026339244 /nfs/dbraw/zinc/33/92/44/1026339244.db2.gz WESGYILUJHQNAK-QKLQHJQFSA-N 1 2 342.483 3.988 20 0 EHADLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000451846215 1026339252 /nfs/dbraw/zinc/33/92/52/1026339252.db2.gz WESGYILUJHQNAK-QKLQHJQFSA-N 1 2 342.483 3.988 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846533 1026341281 /nfs/dbraw/zinc/34/12/81/1026341281.db2.gz WQXHXVJGMMRCMD-OQGULXLBSA-N 1 2 330.472 3.890 20 0 EHADLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846533 1026341291 /nfs/dbraw/zinc/34/12/91/1026341291.db2.gz WQXHXVJGMMRCMD-OQGULXLBSA-N 1 2 330.472 3.890 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000451891337 1026355750 /nfs/dbraw/zinc/35/57/50/1026355750.db2.gz MKZLMKWZXZQJQA-LLVKDONJSA-N 1 2 332.354 3.687 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000451891339 1026356327 /nfs/dbraw/zinc/35/63/27/1026356327.db2.gz MKZLMKWZXZQJQA-NSHDSACASA-N 1 2 332.354 3.687 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913933 1026376950 /nfs/dbraw/zinc/37/69/50/1026376950.db2.gz TYMRJTMHKLNVDX-DGCLKSJQSA-N 1 2 334.407 3.546 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000451913933 1026376964 /nfs/dbraw/zinc/37/69/64/1026376964.db2.gz TYMRJTMHKLNVDX-DGCLKSJQSA-N 1 2 334.407 3.546 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C)C1CC1 ZINC000530905102 1026389528 /nfs/dbraw/zinc/38/95/28/1026389528.db2.gz ZJTGMMIHSDLUKV-KBPBESRZSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C)C1CC1 ZINC000530905102 1026389540 /nfs/dbraw/zinc/38/95/40/1026389540.db2.gz ZJTGMMIHSDLUKV-KBPBESRZSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278922 1026430399 /nfs/dbraw/zinc/43/03/99/1026430399.db2.gz LUMHRJTZRFHGOJ-KOLCDFICSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2ccc(Cl)cc2n1C ZINC000475278922 1026430405 /nfs/dbraw/zinc/43/04/05/1026430405.db2.gz LUMHRJTZRFHGOJ-KOLCDFICSA-N 1 2 331.769 3.999 20 0 EHADLO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000452013662 1026436619 /nfs/dbraw/zinc/43/66/19/1026436619.db2.gz SWNVBNDLYPKOKP-LBPRGKRZSA-N 1 2 330.457 3.553 20 0 EHADLO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000452013662 1026436624 /nfs/dbraw/zinc/43/66/24/1026436624.db2.gz SWNVBNDLYPKOKP-LBPRGKRZSA-N 1 2 330.457 3.553 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccccc1OC(F)F)C1CCCC1 ZINC000530963005 1026438531 /nfs/dbraw/zinc/43/85/31/1026438531.db2.gz MHAVOSXSQWTKFJ-UHFFFAOYSA-N 1 2 327.371 3.596 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccccc1OC(F)F)C1CCCC1 ZINC000530963005 1026438534 /nfs/dbraw/zinc/43/85/34/1026438534.db2.gz MHAVOSXSQWTKFJ-UHFFFAOYSA-N 1 2 327.371 3.596 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cccc(C(F)(F)F)n2)c1C ZINC000530956087 1026445956 /nfs/dbraw/zinc/44/59/56/1026445956.db2.gz OKIDLMFPOVMBGF-UHFFFAOYSA-N 1 2 325.334 3.757 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000475302443 1026456617 /nfs/dbraw/zinc/45/66/17/1026456617.db2.gz MEESTWNXGFXZPX-BLRBJFNZSA-N 1 2 334.463 3.648 20 0 EHADLO Fc1cccc2c(N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)ncnc12 ZINC000582512282 1026458981 /nfs/dbraw/zinc/45/89/81/1026458981.db2.gz YWSAAKGNVGMCGX-HDJSIYSDSA-N 1 2 337.402 3.999 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311979 1026467781 /nfs/dbraw/zinc/46/77/81/1026467781.db2.gz AIQHTPWJWJURAZ-QZTJIDSGSA-N 1 2 341.854 3.794 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1)C1CCCCC1 ZINC000475311979 1026467788 /nfs/dbraw/zinc/46/77/88/1026467788.db2.gz AIQHTPWJWJURAZ-QZTJIDSGSA-N 1 2 341.854 3.794 20 0 EHADLO O=C(Nc1cccc2ccncc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531041272 1026494198 /nfs/dbraw/zinc/49/41/98/1026494198.db2.gz APCFRUBKEGOAQW-UHFFFAOYSA-N 1 2 328.375 3.732 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cc2ccccc2s1 ZINC000277669301 1026501355 /nfs/dbraw/zinc/50/13/55/1026501355.db2.gz ZUHMTDGKFZJBQP-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cc2ccccc2s1 ZINC000277669301 1026501360 /nfs/dbraw/zinc/50/13/60/1026501360.db2.gz ZUHMTDGKFZJBQP-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)ccc1Cl ZINC000431437527 1026505573 /nfs/dbraw/zinc/50/55/73/1026505573.db2.gz AJEIDFVPRRFLAT-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000511151657 1026511190 /nfs/dbraw/zinc/51/11/90/1026511190.db2.gz GZIZCQPEKSJVJR-JTDSTZFVSA-N 1 2 330.447 3.633 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCC3CC3)n2)C1 ZINC000523022598 1026546571 /nfs/dbraw/zinc/54/65/71/1026546571.db2.gz BZVRIDVYVPLDHE-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCC3CC3)n2)C1 ZINC000523022598 1026546579 /nfs/dbraw/zinc/54/65/79/1026546579.db2.gz BZVRIDVYVPLDHE-CYBMUJFWSA-N 1 2 336.505 3.687 20 0 EHADLO CC(C)CC(CC(C)C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000511156807 1026553937 /nfs/dbraw/zinc/55/39/37/1026553937.db2.gz BAXGRSKHNUHIPO-SJLPKXTDSA-N 1 2 331.504 3.731 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC12CCCC2 ZINC000452206835 1026574490 /nfs/dbraw/zinc/57/44/90/1026574490.db2.gz MDICNSFAYDNHDI-CQSZACIVSA-N 1 2 329.831 3.722 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@]2(C)CC2(C)C)C[C@@H](C)O1 ZINC000665625948 1026616357 /nfs/dbraw/zinc/61/63/57/1026616357.db2.gz PDSWAJSUNTZEIZ-SXGZJXTBSA-N 1 2 345.487 3.606 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000168022967 1026650897 /nfs/dbraw/zinc/65/08/97/1026650897.db2.gz MWCPTDBBMWMKAL-GDBMZVCRSA-N 1 2 328.460 3.986 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2cccc(C)c2C)nc(C(C)C)[nH+]1 ZINC000301056915 1026670035 /nfs/dbraw/zinc/67/00/35/1026670035.db2.gz ICXCOZIMHPFMJR-UHFFFAOYSA-N 1 2 326.444 3.600 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531196419 1026680322 /nfs/dbraw/zinc/68/03/22/1026680322.db2.gz SLOWSPAWJNETAS-UHFFFAOYSA-N 1 2 346.793 3.703 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531196419 1026680325 /nfs/dbraw/zinc/68/03/25/1026680325.db2.gz SLOWSPAWJNETAS-UHFFFAOYSA-N 1 2 346.793 3.703 20 0 EHADLO Cc1cc(NCCc2cc(F)cc3c2OCOC3)nc(C(C)C)[nH+]1 ZINC000301119633 1026693769 /nfs/dbraw/zinc/69/37/69/1026693769.db2.gz RVAJQCBCLNCDJT-UHFFFAOYSA-N 1 2 331.391 3.569 20 0 EHADLO COc1cccc(N2CC[C@@H](CNc3cc(C)[nH+]c(C(C)C)n3)C2)c1 ZINC000301165342 1026708855 /nfs/dbraw/zinc/70/88/55/1026708855.db2.gz ILBLELGFDBJCQJ-INIZCTEOSA-N 1 2 340.471 3.855 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665646535 1026722986 /nfs/dbraw/zinc/72/29/86/1026722986.db2.gz UWSMIZRZGAWGGI-WBVHZDCISA-N 1 2 331.847 3.769 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ccnn2CC2CC2)c2ccco2)cc1 ZINC000657486771 1026723249 /nfs/dbraw/zinc/72/32/49/1026723249.db2.gz JKGQFASZEGACCC-FQEVSTJZSA-N 1 2 337.423 3.774 20 0 EHADLO Fc1cccc([C@@H](Nc2cc(N3CCCC3)nc[nH+]2)c2ccccn2)c1 ZINC000277732601 1026727558 /nfs/dbraw/zinc/72/75/58/1026727558.db2.gz IOHJMBPEAKHCGN-HXUWFJFHSA-N 1 2 349.413 3.812 20 0 EHADLO Fc1cccc([C@@H](Nc2cc(N3CCCC3)[nH+]cn2)c2ccccn2)c1 ZINC000277732601 1026727564 /nfs/dbraw/zinc/72/75/64/1026727564.db2.gz IOHJMBPEAKHCGN-HXUWFJFHSA-N 1 2 349.413 3.812 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](c2ccccc2)C1 ZINC000665652906 1026784714 /nfs/dbraw/zinc/78/47/14/1026784714.db2.gz IQZKQPHIOVIBNA-NQYYFHDYSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1cccc([C@H](CNc2ccc(Cl)cn2)[NH+]2CCOCC2)c1 ZINC000301417925 1026798712 /nfs/dbraw/zinc/79/87/12/1026798712.db2.gz CTMRESRBGVYFKJ-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000342713021 1026809495 /nfs/dbraw/zinc/80/94/95/1026809495.db2.gz BJOPMTVTUAPKKP-QPJJXVBHSA-N 1 2 339.508 3.852 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3ncnc4ccccc43)CC2)cc1 ZINC000301466850 1026815723 /nfs/dbraw/zinc/81/57/23/1026815723.db2.gz QJJZQPPRNYKULM-UHFFFAOYSA-N 1 2 347.466 3.777 20 0 EHADLO Cc1cc(N2CC[C@@H](COCc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000301467331 1026815821 /nfs/dbraw/zinc/81/58/21/1026815821.db2.gz QPALXMYHARPZKV-GOSISDBHSA-N 1 2 325.456 3.952 20 0 EHADLO c1cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc(C2CCCC2)c1 ZINC000657504663 1026817605 /nfs/dbraw/zinc/81/76/05/1026817605.db2.gz JUACSGUTCOVCPH-QGZVFWFLSA-N 1 2 326.444 3.604 20 0 EHADLO Cc1nc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)[nH]c1C ZINC000657507078 1026818916 /nfs/dbraw/zinc/81/89/16/1026818916.db2.gz ZYRAZQISNAFIFR-UHFFFAOYSA-N 1 2 325.334 3.704 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000531378476 1026864735 /nfs/dbraw/zinc/86/47/35/1026864735.db2.gz OMLGOAOVYCYODL-CYBMUJFWSA-N 1 2 344.842 3.906 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000531378476 1026864743 /nfs/dbraw/zinc/86/47/43/1026864743.db2.gz OMLGOAOVYCYODL-CYBMUJFWSA-N 1 2 344.842 3.906 20 0 EHADLO Cc1nc(N2CCC(C(=O)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000301594825 1026867229 /nfs/dbraw/zinc/86/72/29/1026867229.db2.gz ZRDRNWLVFSJRPA-UHFFFAOYSA-N 1 2 335.451 3.763 20 0 EHADLO Cc1cc(CNc2ccc(N3CCOC3=O)cc2)c2c([nH+]1)CCCC2 ZINC000892277856 1026879869 /nfs/dbraw/zinc/87/98/69/1026879869.db2.gz ZOILGTNHWZCAKG-UHFFFAOYSA-N 1 2 337.423 3.838 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1Cl ZINC000301670256 1026895532 /nfs/dbraw/zinc/89/55/32/1026895532.db2.gz NLGYUNRISIAGAJ-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1Cl ZINC000301670256 1026895543 /nfs/dbraw/zinc/89/55/43/1026895543.db2.gz NLGYUNRISIAGAJ-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000666001743 1026905152 /nfs/dbraw/zinc/90/51/52/1026905152.db2.gz XCZORNWCCFLLHK-RANZSIQMSA-N 1 2 337.467 3.918 20 0 EHADLO CC(C)(C)c1nnc(NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000301741440 1026921226 /nfs/dbraw/zinc/92/12/26/1026921226.db2.gz UWFKPFCZRILSSH-UHFFFAOYSA-N 1 2 327.457 3.693 20 0 EHADLO C[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000626092639 1026940316 /nfs/dbraw/zinc/94/03/16/1026940316.db2.gz BBPJHUPFGFJZRD-HIFRSBDPSA-N 1 2 325.403 3.508 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1c(C)noc1C ZINC000301832006 1026955877 /nfs/dbraw/zinc/95/58/77/1026955877.db2.gz RAEWRLKVMINDRD-MRXNPFEDSA-N 1 2 348.410 3.984 20 0 EHADLO Cc1cc(C(=O)C[N@H+](Cc2ccccn2)C(C)C)c(C)n1C1CC1 ZINC000531493694 1026971175 /nfs/dbraw/zinc/97/11/75/1026971175.db2.gz MXIZJZXXRVATCE-UHFFFAOYSA-N 1 2 325.456 3.928 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(C)n1C1CC1 ZINC000531493694 1026971186 /nfs/dbraw/zinc/97/11/86/1026971186.db2.gz MXIZJZXXRVATCE-UHFFFAOYSA-N 1 2 325.456 3.928 20 0 EHADLO Cc1ccc(OC(F)F)c(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301888919 1026980665 /nfs/dbraw/zinc/98/06/65/1026980665.db2.gz LBUPRIIELICPMI-UHFFFAOYSA-N 1 2 330.338 3.734 20 0 EHADLO CC(C)(C)c1nc(CCNc2cc(N3CCCCC3)nc[nH+]2)cs1 ZINC000301896788 1026983813 /nfs/dbraw/zinc/98/38/13/1026983813.db2.gz QRQNBVFXHUTQGM-UHFFFAOYSA-N 1 2 345.516 3.876 20 0 EHADLO CC(C)(C)c1nc(CCNc2cc(N3CCCCC3)[nH+]cn2)cs1 ZINC000301896788 1026983820 /nfs/dbraw/zinc/98/38/20/1026983820.db2.gz QRQNBVFXHUTQGM-UHFFFAOYSA-N 1 2 345.516 3.876 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000548754344 1027002389 /nfs/dbraw/zinc/00/23/89/1027002389.db2.gz XVZDJQAXGUXRBH-VNHYZAJKSA-N 1 2 343.452 3.502 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000548754344 1027002398 /nfs/dbraw/zinc/00/23/98/1027002398.db2.gz XVZDJQAXGUXRBH-VNHYZAJKSA-N 1 2 343.452 3.502 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000123159508 1027005882 /nfs/dbraw/zinc/00/58/82/1027005882.db2.gz UPAIHCFSLLOGPH-QGZVFWFLSA-N 1 2 339.414 3.883 20 0 EHADLO Fc1cccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000123159508 1027005887 /nfs/dbraw/zinc/00/58/87/1027005887.db2.gz UPAIHCFSLLOGPH-QGZVFWFLSA-N 1 2 339.414 3.883 20 0 EHADLO COc1ccc2nc(C)nc(NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000301980885 1027013062 /nfs/dbraw/zinc/01/30/62/1027013062.db2.gz GVDQLNZXIRRMKT-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CC[C@](C)(NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666004088 1027016018 /nfs/dbraw/zinc/01/60/18/1027016018.db2.gz STQNEWWMNHXLOH-QRWLVFNGSA-N 1 2 345.487 3.780 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666004086 1027016080 /nfs/dbraw/zinc/01/60/80/1027016080.db2.gz STQNEWWMNHXLOH-FOIQADDNSA-N 1 2 345.487 3.780 20 0 EHADLO CCN(CC)c1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cn1 ZINC000302060113 1027039051 /nfs/dbraw/zinc/03/90/51/1027039051.db2.gz SNOIJFMDZJBMMU-UHFFFAOYSA-N 1 2 325.460 3.517 20 0 EHADLO Nc1nc(NCc2ccccc2N2CCCCC2)[nH+]c2ccccc12 ZINC000302073764 1027045455 /nfs/dbraw/zinc/04/54/55/1027045455.db2.gz VGTMDMQWDAFLBV-UHFFFAOYSA-N 1 2 333.439 3.814 20 0 EHADLO CCc1nc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc(C)[nH+]1 ZINC000342786814 1027061789 /nfs/dbraw/zinc/06/17/89/1027061789.db2.gz VLWVJQOTDZEQQU-QGZVFWFLSA-N 1 2 329.419 3.672 20 0 EHADLO Fc1cccc(F)c1[C@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302226578 1027096285 /nfs/dbraw/zinc/09/62/85/1027096285.db2.gz STLZIZNEIIMBTH-AWEZNQCLSA-N 1 2 344.409 3.739 20 0 EHADLO Fc1cccc(F)c1[C@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000302226578 1027096298 /nfs/dbraw/zinc/09/62/98/1027096298.db2.gz STLZIZNEIIMBTH-AWEZNQCLSA-N 1 2 344.409 3.739 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cs1 ZINC000272755195 1027097343 /nfs/dbraw/zinc/09/73/43/1027097343.db2.gz OPCGLTLBHOYVAG-IAQYHMDHSA-N 1 2 336.432 3.993 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533589 1027145880 /nfs/dbraw/zinc/14/58/80/1027145880.db2.gz DBVWFFFUECFTQR-CQSZACIVSA-N 1 2 347.846 3.628 20 0 EHADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000075552249 1027169254 /nfs/dbraw/zinc/16/92/54/1027169254.db2.gz XSEKVFRBEZBYOG-OAHLLOKOSA-N 1 2 341.430 3.767 20 0 EHADLO O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556203 1027170526 /nfs/dbraw/zinc/17/05/26/1027170526.db2.gz BDRAFCBJDUIYMR-GFCCVEGCSA-N 1 2 335.860 3.561 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075555775 1027170789 /nfs/dbraw/zinc/17/07/89/1027170789.db2.gz PTWMROVQRLBQNS-HNNXBMFYSA-N 1 2 329.469 3.525 20 0 EHADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc3c(s1)C[C@@H](C)CC3)C2 ZINC000123319841 1027171076 /nfs/dbraw/zinc/17/10/76/1027171076.db2.gz XWMUYRHXSZJDFL-ZDUSSCGKSA-N 1 2 344.528 3.683 20 0 EHADLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1cccc(OC)c1 ZINC000075645656 1027186327 /nfs/dbraw/zinc/18/63/27/1027186327.db2.gz WLTCDJLXXRMXCD-LLVKDONJSA-N 1 2 343.349 3.766 20 0 EHADLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1cccc(OC)c1 ZINC000075645656 1027186336 /nfs/dbraw/zinc/18/63/36/1027186336.db2.gz WLTCDJLXXRMXCD-LLVKDONJSA-N 1 2 343.349 3.766 20 0 EHADLO Cc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000075971898 1027215039 /nfs/dbraw/zinc/21/50/39/1027215039.db2.gz LKVWINFPCNJIOA-UHFFFAOYSA-N 1 2 332.835 3.545 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076073274 1027233903 /nfs/dbraw/zinc/23/39/03/1027233903.db2.gz OZGQVEXYVTYQHO-SFHVURJKSA-N 1 2 348.450 3.695 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2CC)cn1 ZINC000127016834 1027264688 /nfs/dbraw/zinc/26/46/88/1027264688.db2.gz OOEWEIIIPANSOO-IBGZPJMESA-N 1 2 337.471 4.000 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2CC)cn1 ZINC000127016834 1027264702 /nfs/dbraw/zinc/26/47/02/1027264702.db2.gz OOEWEIIIPANSOO-IBGZPJMESA-N 1 2 337.471 4.000 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000273102480 1027268505 /nfs/dbraw/zinc/26/85/05/1027268505.db2.gz IXIQLXVLFLFUQF-RDJZCZTQSA-N 1 2 335.407 3.866 20 0 EHADLO CC(C)c1nc(N2CCC(n3cc[nH+]c3)CC2)cc(C(C)(C)C)n1 ZINC000302743576 1027268734 /nfs/dbraw/zinc/26/87/34/1027268734.db2.gz DXGFRDLOGULYDJ-UHFFFAOYSA-N 1 2 327.476 3.936 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429391 1027277998 /nfs/dbraw/zinc/27/79/98/1027277998.db2.gz YCANIKOXEXSOBQ-BONVTDFDSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429391 1027278008 /nfs/dbraw/zinc/27/80/08/1027278008.db2.gz YCANIKOXEXSOBQ-BONVTDFDSA-N 1 2 333.234 3.605 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N(C)Cc1ncc(Cl)n1C ZINC000302777773 1027285041 /nfs/dbraw/zinc/28/50/41/1027285041.db2.gz POYIXKDQEIEZIW-UHFFFAOYSA-N 1 2 330.819 3.575 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(OC(F)F)c1 ZINC000302780304 1027285856 /nfs/dbraw/zinc/28/58/56/1027285856.db2.gz INQBSOLVBWXFJE-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(OC(F)F)c1 ZINC000302780304 1027285873 /nfs/dbraw/zinc/28/58/73/1027285873.db2.gz INQBSOLVBWXFJE-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO CC(C)[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)Nc1ccccc1 ZINC000302805025 1027303071 /nfs/dbraw/zinc/30/30/71/1027303071.db2.gz WKPKJBFKHIOFMI-QGZVFWFLSA-N 1 2 325.460 3.625 20 0 EHADLO CC(C)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)Nc1ccccc1 ZINC000302805025 1027303094 /nfs/dbraw/zinc/30/30/94/1027303094.db2.gz WKPKJBFKHIOFMI-QGZVFWFLSA-N 1 2 325.460 3.625 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000273198258 1027307472 /nfs/dbraw/zinc/30/74/72/1027307472.db2.gz PZVASXZVZWSKPD-UHFFFAOYSA-N 1 2 344.286 3.517 20 0 EHADLO Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)O2 ZINC000475471944 1027330821 /nfs/dbraw/zinc/33/08/21/1027330821.db2.gz OOKCQSJTBAFMNW-GOSISDBHSA-N 1 2 333.391 3.717 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)c2ncnn21 ZINC000657570391 1027335762 /nfs/dbraw/zinc/33/57/62/1027335762.db2.gz SEHCLDUESQZOJE-XHDPSFHLSA-N 1 2 328.803 3.987 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2csc(N(C)C3CC3)n2)cc1C ZINC000127646229 1027336173 /nfs/dbraw/zinc/33/61/73/1027336173.db2.gz CRAIYWXIQPIWSU-UHFFFAOYSA-N 1 2 331.485 3.691 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2csc(N(C)C3CC3)n2)cc1C ZINC000127646229 1027336185 /nfs/dbraw/zinc/33/61/85/1027336185.db2.gz CRAIYWXIQPIWSU-UHFFFAOYSA-N 1 2 331.485 3.691 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cs1 ZINC000076731208 1027349938 /nfs/dbraw/zinc/34/99/38/1027349938.db2.gz WBKPLHVKEQDYFS-YOEHRIQHSA-N 1 2 332.469 3.894 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cs1 ZINC000076731208 1027349957 /nfs/dbraw/zinc/34/99/57/1027349957.db2.gz WBKPLHVKEQDYFS-YOEHRIQHSA-N 1 2 332.469 3.894 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OCC ZINC000657571123 1027365221 /nfs/dbraw/zinc/36/52/21/1027365221.db2.gz WDXKXNKZMWCECM-GOEBONIOSA-N 1 2 344.459 3.651 20 0 EHADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCO2)n1 ZINC000273302441 1027365704 /nfs/dbraw/zinc/36/57/04/1027365704.db2.gz LYVFDCRRNSZPBV-UHFFFAOYSA-N 1 2 340.452 3.562 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046059254 1027387410 /nfs/dbraw/zinc/38/74/10/1027387410.db2.gz WTQCERAWRYGTSH-HXUWFJFHSA-N 1 2 337.398 3.651 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046059254 1027387429 /nfs/dbraw/zinc/38/74/29/1027387429.db2.gz WTQCERAWRYGTSH-HXUWFJFHSA-N 1 2 337.398 3.651 20 0 EHADLO c1cn(-c2cccc(OCc3nnc(-c4ccccc4)s3)c2)c[nH+]1 ZINC000128050710 1027391228 /nfs/dbraw/zinc/39/12/28/1027391228.db2.gz FQKLPSWMLQBPCU-UHFFFAOYSA-N 1 2 334.404 3.970 20 0 EHADLO Cc1ccc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000414446074 1027394865 /nfs/dbraw/zinc/39/48/65/1027394865.db2.gz IRHJEHITNSNPBM-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1ccc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000414446074 1027394880 /nfs/dbraw/zinc/39/48/80/1027394880.db2.gz IRHJEHITNSNPBM-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1cnn(C)c1 ZINC000273369923 1027399073 /nfs/dbraw/zinc/39/90/73/1027399073.db2.gz KTXBYMCIQOQKJP-MNOVXSKESA-N 1 2 331.807 3.535 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861127 1027450699 /nfs/dbraw/zinc/45/06/99/1027450699.db2.gz UFZJMUINHLASKP-GWCFXTLKSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861127 1027450705 /nfs/dbraw/zinc/45/07/05/1027450705.db2.gz UFZJMUINHLASKP-GWCFXTLKSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861131 1027450874 /nfs/dbraw/zinc/45/08/74/1027450874.db2.gz UFZJMUINHLASKP-GXFFZTMASA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000277861131 1027450878 /nfs/dbraw/zinc/45/08/78/1027450878.db2.gz UFZJMUINHLASKP-GXFFZTMASA-N 1 2 325.733 3.614 20 0 EHADLO CCc1nocc1C[N@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414451096 1027476912 /nfs/dbraw/zinc/47/69/12/1027476912.db2.gz IQGIRFVQGAVFSF-UHFFFAOYSA-N 1 2 328.391 3.502 20 0 EHADLO CCc1nocc1C[N@@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414451096 1027476919 /nfs/dbraw/zinc/47/69/19/1027476919.db2.gz IQGIRFVQGAVFSF-UHFFFAOYSA-N 1 2 328.391 3.502 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000273530551 1027479010 /nfs/dbraw/zinc/47/90/10/1027479010.db2.gz SRFYOXOMFDORID-OAHLLOKOSA-N 1 2 349.427 3.725 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000501786307 1027534094 /nfs/dbraw/zinc/53/40/94/1027534094.db2.gz POGACTXQGBYDHW-CABCVRRESA-N 1 2 338.245 3.704 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000501786307 1027534102 /nfs/dbraw/zinc/53/41/02/1027534102.db2.gz POGACTXQGBYDHW-CABCVRRESA-N 1 2 338.245 3.704 20 0 EHADLO Brc1cccnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000342834655 1027555406 /nfs/dbraw/zinc/55/54/06/1027555406.db2.gz KGNIOFNJXLMQBH-UHFFFAOYSA-N 1 2 349.276 3.737 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582755782 1027594750 /nfs/dbraw/zinc/59/47/50/1027594750.db2.gz BNGJDMZKKWDWJI-APWZRJJASA-N 1 2 339.483 3.805 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582755784 1027594986 /nfs/dbraw/zinc/59/49/86/1027594986.db2.gz BNGJDMZKKWDWJI-QFBILLFUSA-N 1 2 339.483 3.805 20 0 EHADLO CC(C)(c1noc(CCn2cc[nH+]c2)n1)c1cccc(Cl)c1F ZINC000277887936 1027623642 /nfs/dbraw/zinc/62/36/42/1027623642.db2.gz KBNSSQNSAUJGGR-UHFFFAOYSA-N 1 2 334.782 3.627 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H](C)Cc2cccc(F)c2)cc(C)[nH+]1 ZINC000422204646 1027636713 /nfs/dbraw/zinc/63/67/13/1027636713.db2.gz JETXCQWCHLKYEZ-OAHLLOKOSA-N 1 2 329.419 3.610 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000342848434 1027636925 /nfs/dbraw/zinc/63/69/25/1027636925.db2.gz LILALMJSLOCCCO-FXAWDEMLSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1ccc([C@H]2OCCC[C@@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000342848434 1027636937 /nfs/dbraw/zinc/63/69/37/1027636937.db2.gz LILALMJSLOCCCO-FXAWDEMLSA-N 1 2 338.455 3.717 20 0 EHADLO Cc1cc(CNC(=O)N(CCc2ccc(F)cc2)C2CC2)cc(C)[nH+]1 ZINC000422215338 1027653496 /nfs/dbraw/zinc/65/34/96/1027653496.db2.gz UKEPQEHYSRPHAN-UHFFFAOYSA-N 1 2 341.430 3.754 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H]([C@@H]4CCOC4)C3)cc[nH+]c12 ZINC000501958983 1027667779 /nfs/dbraw/zinc/66/77/79/1027667779.db2.gz ROWOYLSGMNLTQM-JKSUJKDBSA-N 1 2 326.440 3.886 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1OC1CC1 ZINC000628156645 1027691586 /nfs/dbraw/zinc/69/15/86/1027691586.db2.gz XNYWUUFHUPHKJX-GOSISDBHSA-N 1 2 345.464 3.871 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1OC1CC1 ZINC000628156645 1027691594 /nfs/dbraw/zinc/69/15/94/1027691594.db2.gz XNYWUUFHUPHKJX-GOSISDBHSA-N 1 2 345.464 3.871 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccccc2)C(C)C)c1C ZINC000342860546 1027716385 /nfs/dbraw/zinc/71/63/85/1027716385.db2.gz PEMZOCFZQGGCOZ-UHFFFAOYSA-N 1 2 326.440 3.927 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccccc2)C(C)C)c1C ZINC000342860546 1027716402 /nfs/dbraw/zinc/71/64/02/1027716402.db2.gz PEMZOCFZQGGCOZ-UHFFFAOYSA-N 1 2 326.440 3.927 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc(C)[nH+]1 ZINC000420773995 1027720292 /nfs/dbraw/zinc/72/02/92/1027720292.db2.gz RHSLAOXZSYYWRL-MRXNPFEDSA-N 1 2 345.443 3.874 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2cc[nH+]c(N)c2)n1)CC[C@@H](C)C3 ZINC001167617533 1027735205 /nfs/dbraw/zinc/73/52/05/1027735205.db2.gz SLXSVFWUEQNHGA-SNVBAGLBSA-N 1 2 339.468 3.714 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420791555 1027752261 /nfs/dbraw/zinc/75/22/61/1027752261.db2.gz HXIAYMDKNKDCEU-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000131275433 1027756145 /nfs/dbraw/zinc/75/61/45/1027756145.db2.gz FRPAFARTUMZGDR-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO Cc1ccc2c(CCNC(=O)NCc3cc(C)[nH+]c(C)c3)c[nH]c2c1 ZINC000420841224 1027784148 /nfs/dbraw/zinc/78/41/48/1027784148.db2.gz CCQVXGUDHYJGFR-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO COc1cccc([C@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420840201 1027784427 /nfs/dbraw/zinc/78/44/27/1027784427.db2.gz AECHKZZRUOQZDS-LJQANCHMSA-N 1 2 339.439 3.754 20 0 EHADLO Cc1c(F)ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)c1Cl ZINC001211900068 1027784907 /nfs/dbraw/zinc/78/49/07/1027784907.db2.gz ZESFRAMLYSOPGG-UHFFFAOYSA-N 1 2 343.736 3.545 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc(C)[nH+]1 ZINC000420845947 1027788693 /nfs/dbraw/zinc/78/86/93/1027788693.db2.gz ISBVOANMNGRSKK-OAHLLOKOSA-N 1 2 345.393 3.676 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@](F)(c3ccccc3F)C2)cc(C)[nH+]1 ZINC000420856119 1027801175 /nfs/dbraw/zinc/80/11/75/1027801175.db2.gz XGQLTBPSQXZJGV-LJQANCHMSA-N 1 2 345.393 3.618 20 0 EHADLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131835512 1027824183 /nfs/dbraw/zinc/82/41/83/1027824183.db2.gz YNZOQOJEKBTENZ-QUCCMNQESA-N 1 2 347.418 3.522 20 0 EHADLO CCCC[C@@H](C)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000582818246 1027852043 /nfs/dbraw/zinc/85/20/43/1027852043.db2.gz FYPTYSKBLAPUHQ-QGZVFWFLSA-N 1 2 342.487 3.694 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000420925351 1027874299 /nfs/dbraw/zinc/87/42/99/1027874299.db2.gz LJOYQXWXVPMGRP-OCCSQVGLSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1csc(C2CC2)n1 ZINC000420925351 1027874317 /nfs/dbraw/zinc/87/43/17/1027874317.db2.gz LJOYQXWXVPMGRP-OCCSQVGLSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940572 1027892195 /nfs/dbraw/zinc/89/21/95/1027892195.db2.gz DPXGKWYQWNWPNY-STQMWFEESA-N 1 2 349.418 3.816 20 0 EHADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940572 1027892208 /nfs/dbraw/zinc/89/22/08/1027892208.db2.gz DPXGKWYQWNWPNY-STQMWFEESA-N 1 2 349.418 3.816 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(C(F)(F)F)cc2C)c[nH+]1 ZINC000897516866 1027896595 /nfs/dbraw/zinc/89/65/95/1027896595.db2.gz LSJADCZHWZGRIR-UHFFFAOYSA-N 1 2 339.361 3.570 20 0 EHADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246172101 1027905172 /nfs/dbraw/zinc/90/51/72/1027905172.db2.gz RUEPIWBZLKEBLA-RKVPGOIHSA-N 1 2 345.874 3.825 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000420955331 1027921805 /nfs/dbraw/zinc/92/18/05/1027921805.db2.gz WHQCQGFYDUKAEV-AWEZNQCLSA-N 1 2 339.361 3.825 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000420955331 1027921824 /nfs/dbraw/zinc/92/18/24/1027921824.db2.gz WHQCQGFYDUKAEV-AWEZNQCLSA-N 1 2 339.361 3.825 20 0 EHADLO CC[C@H]1C[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@H](CC)O1 ZINC000420959707 1027931804 /nfs/dbraw/zinc/93/18/04/1027931804.db2.gz QRFWLNIMHWNJJF-HOTGVXAUSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536619875 1027952650 /nfs/dbraw/zinc/95/26/50/1027952650.db2.gz PMESTAVNVGWFDQ-BBRMVZONSA-N 1 2 349.356 3.817 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)sc1C ZINC000347340152 1027957939 /nfs/dbraw/zinc/95/79/39/1027957939.db2.gz PJKVNWOWZLGKJC-GJZGRUSLSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)sc1C ZINC000347340152 1027957954 /nfs/dbraw/zinc/95/79/54/1027957954.db2.gz PJKVNWOWZLGKJC-GJZGRUSLSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4C)CC3)o2)cc1 ZINC000040945369 1027975629 /nfs/dbraw/zinc/97/56/29/1027975629.db2.gz LUFQGSMKJXSSHM-UHFFFAOYSA-N 1 2 348.450 3.676 20 0 EHADLO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@@H]1CCCCO1 ZINC000050961237 1027981397 /nfs/dbraw/zinc/98/13/97/1027981397.db2.gz CSVJRULAILNSJW-KRWDZBQOSA-N 1 2 343.446 3.501 20 0 EHADLO C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@@H]1CCCCO1 ZINC000050961237 1027981408 /nfs/dbraw/zinc/98/14/08/1027981408.db2.gz CSVJRULAILNSJW-KRWDZBQOSA-N 1 2 343.446 3.501 20 0 EHADLO CCCCC1CCC(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000078587661 1027998417 /nfs/dbraw/zinc/99/84/17/1027998417.db2.gz ZPKADOFOTAAVHK-UHFFFAOYSA-N 1 2 331.504 3.875 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000533515181 1027998977 /nfs/dbraw/zinc/99/89/77/1027998977.db2.gz WZKHVECFEPWNQA-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000533515181 1027998985 /nfs/dbraw/zinc/99/89/85/1027998985.db2.gz WZKHVECFEPWNQA-SFHVURJKSA-N 1 2 342.414 3.746 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1 ZINC000353520911 1028082361 /nfs/dbraw/zinc/08/23/61/1028082361.db2.gz PUQFDRXUHQIHAZ-LLVKDONJSA-N 1 2 329.425 3.570 20 0 EHADLO COC(=O)c1csc([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000353520911 1028082384 /nfs/dbraw/zinc/08/23/84/1028082384.db2.gz PUQFDRXUHQIHAZ-LLVKDONJSA-N 1 2 329.425 3.570 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000134226371 1028104557 /nfs/dbraw/zinc/10/45/57/1028104557.db2.gz DWHOMIOEIZUURZ-ZENOOKHLSA-N 1 2 347.484 3.708 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000134226371 1028104566 /nfs/dbraw/zinc/10/45/66/1028104566.db2.gz DWHOMIOEIZUURZ-ZENOOKHLSA-N 1 2 347.484 3.708 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000134257872 1028105698 /nfs/dbraw/zinc/10/56/98/1028105698.db2.gz UMUQOLVJXDNVLA-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1cccc(OC2CCCC2)c1)c1c(F)cccc1F ZINC000422979924 1028109202 /nfs/dbraw/zinc/10/92/02/1028109202.db2.gz NWEWWMNCCPQNHS-GOSISDBHSA-N 1 2 346.377 3.925 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444663493 1028134454 /nfs/dbraw/zinc/13/44/54/1028134454.db2.gz PATLDYOOVJPLTR-WBVHZDCISA-N 1 2 343.858 3.853 20 0 EHADLO C[N@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1F ZINC000444689875 1028160630 /nfs/dbraw/zinc/16/06/30/1028160630.db2.gz HSSUEGNMEHGBDE-NRFANRHFSA-N 1 2 325.836 3.719 20 0 EHADLO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1F ZINC000444689875 1028160643 /nfs/dbraw/zinc/16/06/43/1028160643.db2.gz HSSUEGNMEHGBDE-NRFANRHFSA-N 1 2 325.836 3.719 20 0 EHADLO CC(C)(C)Cc1nc2cc(NC(=O)CCn3cc[nH+]c3)ccc2o1 ZINC000342924145 1028172244 /nfs/dbraw/zinc/17/22/44/1028172244.db2.gz CYBVQRXKWMNDHY-UHFFFAOYSA-N 1 2 326.400 3.642 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000161588874 1028196829 /nfs/dbraw/zinc/19/68/29/1028196829.db2.gz DEIOBUMHZBSHBR-UHFFFAOYSA-N 1 2 333.482 3.603 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000161588874 1028196834 /nfs/dbraw/zinc/19/68/34/1028196834.db2.gz DEIOBUMHZBSHBR-UHFFFAOYSA-N 1 2 333.482 3.603 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)c(C)[nH+]1 ZINC000455475025 1028208972 /nfs/dbraw/zinc/20/89/72/1028208972.db2.gz DIXYSOMBWHCLCI-WBVHZDCISA-N 1 2 333.476 3.970 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2s1 ZINC000423151543 1028212912 /nfs/dbraw/zinc/21/29/12/1028212912.db2.gz CPLWTTCRDXDMIM-ZDUSSCGKSA-N 1 2 346.481 3.689 20 0 EHADLO CC(C)(C)c1nc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2s1 ZINC000423151542 1028213566 /nfs/dbraw/zinc/21/35/66/1028213566.db2.gz CPLWTTCRDXDMIM-CYBMUJFWSA-N 1 2 346.481 3.689 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726012 1028216181 /nfs/dbraw/zinc/21/61/81/1028216181.db2.gz IAJRJLFQTDOGTD-GXTWGEPZSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(F)(F)F ZINC000444726012 1028216196 /nfs/dbraw/zinc/21/61/96/1028216196.db2.gz IAJRJLFQTDOGTD-GXTWGEPZSA-N 1 2 348.434 3.936 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647932765 1028222104 /nfs/dbraw/zinc/22/21/04/1028222104.db2.gz PAGKGVCJUZRVKH-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO FC1=CCCN(c2cc(N3CCC=C(F)C3)c3ccncc3[nH+]2)C1 ZINC000342937977 1028249192 /nfs/dbraw/zinc/24/91/92/1028249192.db2.gz IYWZRIPJVCLMRG-UHFFFAOYSA-N 1 2 328.366 3.757 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000054989199 1028254235 /nfs/dbraw/zinc/25/42/35/1028254235.db2.gz SMDOAHMFIDXYGY-CYBMUJFWSA-N 1 2 326.400 3.543 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000054989199 1028254245 /nfs/dbraw/zinc/25/42/45/1028254245.db2.gz SMDOAHMFIDXYGY-CYBMUJFWSA-N 1 2 326.400 3.543 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000502502165 1028263038 /nfs/dbraw/zinc/26/30/38/1028263038.db2.gz XQWANIJGVVEKTP-CVEARBPZSA-N 1 2 340.442 3.758 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000502502165 1028263048 /nfs/dbraw/zinc/26/30/48/1028263048.db2.gz XQWANIJGVVEKTP-CVEARBPZSA-N 1 2 340.442 3.758 20 0 EHADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000444776442 1028267315 /nfs/dbraw/zinc/26/73/15/1028267315.db2.gz BYNCKLSVMNHERS-CQSZACIVSA-N 1 2 339.361 3.836 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCOc2ccccc2Cl)c(C)[nH+]1 ZINC000455500088 1028275468 /nfs/dbraw/zinc/27/54/68/1028275468.db2.gz SUPHQXAXEAAEPL-UHFFFAOYSA-N 1 2 333.819 3.861 20 0 EHADLO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[C@H]1c1ccccc1 ZINC000423232170 1028298724 /nfs/dbraw/zinc/29/87/24/1028298724.db2.gz HQWUCPBXMMLVFW-ZXYWRSMDSA-N 1 2 344.405 3.617 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1nn(C)c(C)c1Cl ZINC000421358394 1028308486 /nfs/dbraw/zinc/30/84/86/1028308486.db2.gz STLNHYSIONCLOO-OAHLLOKOSA-N 1 2 335.883 3.839 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1nn(C)c(C)c1Cl ZINC000421358394 1028308502 /nfs/dbraw/zinc/30/85/02/1028308502.db2.gz STLNHYSIONCLOO-OAHLLOKOSA-N 1 2 335.883 3.839 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862334 1028344149 /nfs/dbraw/zinc/34/41/49/1028344149.db2.gz XSSVYWPCPTVNBJ-KRWDZBQOSA-N 1 2 348.450 3.693 20 0 EHADLO CCOc1ccc(OCC)c(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454282582 1028349685 /nfs/dbraw/zinc/34/96/85/1028349685.db2.gz SANCXDDLVWWICX-UHFFFAOYSA-N 1 2 343.427 3.818 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000475615456 1028369445 /nfs/dbraw/zinc/36/94/45/1028369445.db2.gz KRXCWPHLQGMCSE-MAUKXSAKSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000475615456 1028369458 /nfs/dbraw/zinc/36/94/58/1028369458.db2.gz KRXCWPHLQGMCSE-MAUKXSAKSA-N 1 2 339.863 3.509 20 0 EHADLO CCO[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1 ZINC000444898360 1028379838 /nfs/dbraw/zinc/37/98/38/1028379838.db2.gz HHRDHFFYYXIGCM-QGZVFWFLSA-N 1 2 338.411 3.542 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000161996485 1028392546 /nfs/dbraw/zinc/39/25/46/1028392546.db2.gz BCKHKKZCMWMUFL-QGZVFWFLSA-N 1 2 348.397 3.659 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000897333144 1028420127 /nfs/dbraw/zinc/42/01/27/1028420127.db2.gz CDOAPOBQODEKGM-UHFFFAOYSA-N 1 2 344.890 3.715 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000069741163 1028438774 /nfs/dbraw/zinc/43/87/74/1028438774.db2.gz KHPFSXLSPUSGGX-UHFFFAOYSA-N 1 2 329.400 3.571 20 0 EHADLO CSc1ncc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c(Cl)n1 ZINC001142427293 1028443222 /nfs/dbraw/zinc/44/32/22/1028443222.db2.gz MEGSKVXDUIPBRA-CQSZACIVSA-N 1 2 349.887 3.814 20 0 EHADLO CSc1ncc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c(Cl)n1 ZINC001142427293 1028443229 /nfs/dbraw/zinc/44/32/29/1028443229.db2.gz MEGSKVXDUIPBRA-CQSZACIVSA-N 1 2 349.887 3.814 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)nc(C2CCC2)[nH+]1 ZINC000892319194 1028448144 /nfs/dbraw/zinc/44/81/44/1028448144.db2.gz XNIDWUDLTSNGRS-ZDUSSCGKSA-N 1 2 336.439 3.745 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(C)Cc2nc3ccccc3s2)c[nH+]1 ZINC000455556302 1028448479 /nfs/dbraw/zinc/44/84/79/1028448479.db2.gz KIAMELOBGNRJQW-UHFFFAOYSA-N 1 2 340.452 3.650 20 0 EHADLO Cc1c(F)cccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000421475723 1028450613 /nfs/dbraw/zinc/45/06/13/1028450613.db2.gz UOPBDHMGWVIOOY-OAHLLOKOSA-N 1 2 342.414 3.780 20 0 EHADLO Cn1ccnc1-c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000193653793 1028454574 /nfs/dbraw/zinc/45/45/74/1028454574.db2.gz CLOVGYPLFNWSRI-UHFFFAOYSA-N 1 2 343.390 3.525 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000071090503 1028474605 /nfs/dbraw/zinc/47/46/05/1028474605.db2.gz ZNRGRSLFTGONHW-WIYYLYMNSA-N 1 2 337.467 3.552 20 0 EHADLO Cc1cc(CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc(C)[nH+]1 ZINC000421575382 1028569499 /nfs/dbraw/zinc/56/94/99/1028569499.db2.gz JZIJWXPCFIBXLT-UHFFFAOYSA-N 1 2 344.283 3.925 20 0 EHADLO Cc1cc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)cc(C)[nH+]1 ZINC000421574169 1028570532 /nfs/dbraw/zinc/57/05/32/1028570532.db2.gz DRGKBQDLPKELBQ-UHFFFAOYSA-N 1 2 326.415 3.867 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431516345 1028582195 /nfs/dbraw/zinc/58/21/95/1028582195.db2.gz BFCFDYKFSQAXJC-UHFFFAOYSA-N 1 2 347.462 3.913 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423714343 1028582902 /nfs/dbraw/zinc/58/29/02/1028582902.db2.gz RZYQMGPSKQXDMD-QGZVFWFLSA-N 1 2 334.366 3.741 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cn1nc(-c2ccco2)n(C)c1=S ZINC000054474170 1028584076 /nfs/dbraw/zinc/58/40/76/1028584076.db2.gz RVKNJZZVQVWHGA-UHFFFAOYSA-N 1 2 342.468 3.999 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cn1nc(-c2ccco2)n(C)c1=S ZINC000054474170 1028584086 /nfs/dbraw/zinc/58/40/86/1028584086.db2.gz RVKNJZZVQVWHGA-UHFFFAOYSA-N 1 2 342.468 3.999 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728538930 1028619962 /nfs/dbraw/zinc/61/99/62/1028619962.db2.gz SCUNTPBFRQTLFD-AWEZNQCLSA-N 1 2 338.238 3.596 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000074564775 1028624422 /nfs/dbraw/zinc/62/44/22/1028624422.db2.gz WQPNNAXFRDDGNR-INIZCTEOSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCc2ccsc2C1 ZINC000343014685 1028641764 /nfs/dbraw/zinc/64/17/64/1028641764.db2.gz XAXPZVKRGBVVSM-INIZCTEOSA-N 1 2 337.448 3.578 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000728539629 1028666129 /nfs/dbraw/zinc/66/61/29/1028666129.db2.gz WYPYPPIFMGELKN-QKXCFHHRSA-N 1 2 329.831 3.804 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc2ncccc2c1 ZINC000122602621 1028687509 /nfs/dbraw/zinc/68/75/09/1028687509.db2.gz YCCAQUNEFRGXKQ-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245411378 1028705528 /nfs/dbraw/zinc/70/55/28/1028705528.db2.gz WPHSFOIMMLEDJI-XNJGSVPQSA-N 1 2 333.407 3.889 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245411378 1028705538 /nfs/dbraw/zinc/70/55/38/1028705538.db2.gz WPHSFOIMMLEDJI-XNJGSVPQSA-N 1 2 333.407 3.889 20 0 EHADLO CC1(C)CCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454320656 1028735711 /nfs/dbraw/zinc/73/57/11/1028735711.db2.gz NEYLZUQKRQUNAX-GOSISDBHSA-N 1 2 340.471 3.557 20 0 EHADLO O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728541784 1028751909 /nfs/dbraw/zinc/75/19/09/1028751909.db2.gz KJDZMHHJBINTAH-LJQANCHMSA-N 1 2 343.430 3.932 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000162417308 1028756892 /nfs/dbraw/zinc/75/68/92/1028756892.db2.gz ZEQKLMUIFBXZSH-UHFFFAOYSA-N 1 2 342.842 3.697 20 0 EHADLO CCc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000152103450 1028762324 /nfs/dbraw/zinc/76/23/24/1028762324.db2.gz MGJRRQMWVPLOAA-UHFFFAOYSA-N 1 2 349.434 3.706 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)CC1 ZINC000052085691 1028769494 /nfs/dbraw/zinc/76/94/94/1028769494.db2.gz HNTNPVJVAWRZLI-CQSZACIVSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)CC1 ZINC000052085691 1028769502 /nfs/dbraw/zinc/76/95/02/1028769502.db2.gz HNTNPVJVAWRZLI-CQSZACIVSA-N 1 2 343.500 3.890 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245536494 1028779029 /nfs/dbraw/zinc/77/90/29/1028779029.db2.gz ICUHYNDGNSSUJL-OXQOHEQNSA-N 1 2 325.456 3.588 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245536494 1028779041 /nfs/dbraw/zinc/77/90/41/1028779041.db2.gz ICUHYNDGNSSUJL-OXQOHEQNSA-N 1 2 325.456 3.588 20 0 EHADLO C[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247451160 1028790804 /nfs/dbraw/zinc/79/08/04/1028790804.db2.gz JFUWZWFBQHHPOB-BQFCYCMXSA-N 1 2 343.496 3.615 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000247472816 1028793358 /nfs/dbraw/zinc/79/33/58/1028793358.db2.gz RVTUTKLTHRCECW-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000153827835 1028808037 /nfs/dbraw/zinc/80/80/37/1028808037.db2.gz YMJXPYHVZJUMEB-XJKSGUPXSA-N 1 2 345.468 3.684 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccc(F)c1 ZINC000532760942 1028808749 /nfs/dbraw/zinc/80/87/49/1028808749.db2.gz URUFQSKDFWXRPT-GFCCVEGCSA-N 1 2 343.427 3.894 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccc(F)c1 ZINC000532760942 1028808770 /nfs/dbraw/zinc/80/87/70/1028808770.db2.gz URUFQSKDFWXRPT-GFCCVEGCSA-N 1 2 343.427 3.894 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247697306 1028811430 /nfs/dbraw/zinc/81/14/30/1028811430.db2.gz UCOZMMGDLVJPDN-NOVWEMISSA-N 1 2 343.858 3.750 20 0 EHADLO CCOc1cccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454403453 1028851167 /nfs/dbraw/zinc/85/11/67/1028851167.db2.gz HMGZZGIDHKMZAG-HNNXBMFYSA-N 1 2 327.428 3.658 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cncn2C(C)C)c2ccco2)cc1 ZINC000424180715 1028854992 /nfs/dbraw/zinc/85/49/92/1028854992.db2.gz PETKBGUPDNCCFD-IBGZPJMESA-N 1 2 325.412 3.945 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000424159409 1028857061 /nfs/dbraw/zinc/85/70/61/1028857061.db2.gz SPJDTTPQNZEEHR-HZPDHXFCSA-N 1 2 328.460 3.690 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000424161112 1028860566 /nfs/dbraw/zinc/86/05/66/1028860566.db2.gz BLYKUZKLJXCGHH-QGZVFWFLSA-N 1 2 329.444 3.637 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cccnc2OCC(F)F)c(F)c1 ZINC000424163193 1028863586 /nfs/dbraw/zinc/86/35/86/1028863586.db2.gz UTWXWXQKTXFFFV-UHFFFAOYSA-N 1 2 328.309 3.602 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OCC ZINC000414557190 1028904063 /nfs/dbraw/zinc/90/40/63/1028904063.db2.gz POKQECGYVUHMRG-UHFFFAOYSA-N 1 2 333.457 3.503 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421934712 1028929744 /nfs/dbraw/zinc/92/97/44/1028929744.db2.gz CVHQFIMBBDMTFM-ZDUSSCGKSA-N 1 2 337.345 3.677 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123548805 1028947209 /nfs/dbraw/zinc/94/72/09/1028947209.db2.gz SQHRMMZZQGZOCI-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123548805 1028947221 /nfs/dbraw/zinc/94/72/21/1028947221.db2.gz SQHRMMZZQGZOCI-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CC(C)(C)Cc3occc32)s1 ZINC000424327496 1028976148 /nfs/dbraw/zinc/97/61/48/1028976148.db2.gz MQQNJGGJGFKPIN-PWSUYJOCSA-N 1 2 334.441 3.887 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC000249062290 1028982172 /nfs/dbraw/zinc/98/21/72/1028982172.db2.gz GZGNXLFZKZOSRX-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC000249062290 1028982184 /nfs/dbraw/zinc/98/21/84/1028982184.db2.gz GZGNXLFZKZOSRX-HOTGVXAUSA-N 1 2 336.794 3.556 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350190 1028997559 /nfs/dbraw/zinc/99/75/59/1028997559.db2.gz ANNYPXIQOXETAK-JSGCOSHPSA-N 1 2 328.441 3.719 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350190 1028997576 /nfs/dbraw/zinc/99/75/76/1028997576.db2.gz ANNYPXIQOXETAK-JSGCOSHPSA-N 1 2 328.441 3.719 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000524252495 1029011128 /nfs/dbraw/zinc/01/11/28/1029011128.db2.gz NPSSLFSDAFHNKE-KRWDZBQOSA-N 1 2 340.492 3.657 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000524252495 1029011141 /nfs/dbraw/zinc/01/11/41/1029011141.db2.gz NPSSLFSDAFHNKE-KRWDZBQOSA-N 1 2 340.492 3.657 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000532903667 1029018632 /nfs/dbraw/zinc/01/86/32/1029018632.db2.gz PDRWHPUZNOEZHI-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000532903667 1029018649 /nfs/dbraw/zinc/01/86/49/1029018649.db2.gz PDRWHPUZNOEZHI-KRWDZBQOSA-N 1 2 344.842 3.586 20 0 EHADLO CCc1nc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)sc1C ZINC000532896978 1029038236 /nfs/dbraw/zinc/03/82/36/1029038236.db2.gz SKHPZIDQBNVUFX-UHFFFAOYSA-N 1 2 347.459 3.756 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)sc1C ZINC000532896978 1029038255 /nfs/dbraw/zinc/03/82/55/1029038255.db2.gz SKHPZIDQBNVUFX-UHFFFAOYSA-N 1 2 347.459 3.756 20 0 EHADLO COCCC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343079629 1029038540 /nfs/dbraw/zinc/03/85/40/1029038540.db2.gz IKPIIMUINBXTOY-SFHVURJKSA-N 1 2 340.471 3.527 20 0 EHADLO COCCC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343079629 1029038560 /nfs/dbraw/zinc/03/85/60/1029038560.db2.gz IKPIIMUINBXTOY-SFHVURJKSA-N 1 2 340.471 3.527 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)c[nH+]1 ZINC000454531837 1029040126 /nfs/dbraw/zinc/04/01/26/1029040126.db2.gz ZAANBYLXASGUBE-QGZVFWFLSA-N 1 2 343.402 3.551 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2noc3c2CCCC3)CC1 ZINC000091981173 1029064659 /nfs/dbraw/zinc/06/46/59/1029064659.db2.gz GSLHICZDRLNSLS-OAHLLOKOSA-N 1 2 343.446 3.571 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000664391134 1029089545 /nfs/dbraw/zinc/08/95/45/1029089545.db2.gz XMMPFXBMFOQSFQ-IUODEOHRSA-N 1 2 336.505 3.685 20 0 EHADLO CC[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000664391134 1029089559 /nfs/dbraw/zinc/08/95/59/1029089559.db2.gz XMMPFXBMFOQSFQ-IUODEOHRSA-N 1 2 336.505 3.685 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nncn2-c2ccccc2C)c1C ZINC000509959773 1029108675 /nfs/dbraw/zinc/10/86/75/1029108675.db2.gz RHVFRTDSSHZGFN-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000532981570 1029138371 /nfs/dbraw/zinc/13/83/71/1029138371.db2.gz IKWONSJUEIRJDF-CVEARBPZSA-N 1 2 342.487 3.876 20 0 EHADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000532981570 1029138378 /nfs/dbraw/zinc/13/83/78/1029138378.db2.gz IKWONSJUEIRJDF-CVEARBPZSA-N 1 2 342.487 3.876 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nonc2C)ccc1OCCC(C)C ZINC000271730985 1029143826 /nfs/dbraw/zinc/14/38/26/1029143826.db2.gz ZWODFFGXSJPXOP-ZDUSSCGKSA-N 1 2 333.432 3.662 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3ccccc3C)no2)cc1 ZINC000271730367 1029143950 /nfs/dbraw/zinc/14/39/50/1029143950.db2.gz YKFRFKBHKRYGOW-OAHLLOKOSA-N 1 2 337.423 3.828 20 0 EHADLO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000445817151 1029154719 /nfs/dbraw/zinc/15/47/19/1029154719.db2.gz CDYPUNXQWCTNPV-UHFFFAOYSA-N 1 2 339.483 3.857 20 0 EHADLO c1ncn(Cc2ccccc2)c1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000445817151 1029154725 /nfs/dbraw/zinc/15/47/25/1029154725.db2.gz CDYPUNXQWCTNPV-UHFFFAOYSA-N 1 2 339.483 3.857 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[C@H](F)C2)C[C@@H](C)O1 ZINC000424606281 1029164963 /nfs/dbraw/zinc/16/49/63/1029164963.db2.gz PUUAWSNKGWXASW-KONPQCLYSA-N 1 2 348.462 3.763 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2CCCC3(CCCC3)C2)[nH]c(C)c1C(C)=O ZINC000445838164 1029170369 /nfs/dbraw/zinc/17/03/69/1029170369.db2.gz TWRUPEDOAVVVQU-UHFFFAOYSA-N 1 2 330.472 3.927 20 0 EHADLO CCc1c(C(=O)C[N@H+]2CCCC3(CCCC3)C2)[nH]c(C)c1C(C)=O ZINC000445838164 1029170376 /nfs/dbraw/zinc/17/03/76/1029170376.db2.gz TWRUPEDOAVVVQU-UHFFFAOYSA-N 1 2 330.472 3.927 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cs1 ZINC000271796140 1029173900 /nfs/dbraw/zinc/17/39/00/1029173900.db2.gz KCAREWOPUJKYFK-GDBMZVCRSA-N 1 2 343.496 3.718 20 0 EHADLO Clc1ccc(OCC[N@@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC000445853642 1029174770 /nfs/dbraw/zinc/17/47/70/1029174770.db2.gz KAZFUJIFKWGHGI-UHFFFAOYSA-N 1 2 329.252 3.887 20 0 EHADLO Clc1ccc(OCC[N@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC000445853642 1029174776 /nfs/dbraw/zinc/17/47/76/1029174776.db2.gz KAZFUJIFKWGHGI-UHFFFAOYSA-N 1 2 329.252 3.887 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)cc[nH+]1 ZINC000524477091 1029228829 /nfs/dbraw/zinc/22/88/29/1029228829.db2.gz XCNOHEYEPIUIRD-QGZVFWFLSA-N 1 2 346.430 3.809 20 0 EHADLO CC(C)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533049705 1029235584 /nfs/dbraw/zinc/23/55/84/1029235584.db2.gz UQZCGTGESHMXFH-HNNXBMFYSA-N 1 2 328.378 3.757 20 0 EHADLO CC(C)NC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533049705 1029235596 /nfs/dbraw/zinc/23/55/96/1029235596.db2.gz UQZCGTGESHMXFH-HNNXBMFYSA-N 1 2 328.378 3.757 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC(C)(C)C2CCC2)c1)[NH+]1CCOCC1 ZINC000454738939 1029252321 /nfs/dbraw/zinc/25/23/21/1029252321.db2.gz LONSBYDSHHRIKW-OAHLLOKOSA-N 1 2 345.487 3.780 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000424710132 1029258788 /nfs/dbraw/zinc/25/87/88/1029258788.db2.gz OUKRUBZBIOXRMP-MRXNPFEDSA-N 1 2 325.456 3.693 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000424710132 1029258800 /nfs/dbraw/zinc/25/88/00/1029258800.db2.gz OUKRUBZBIOXRMP-MRXNPFEDSA-N 1 2 325.456 3.693 20 0 EHADLO CC[C@@H]1CCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000533084427 1029263937 /nfs/dbraw/zinc/26/39/37/1029263937.db2.gz OWCYSCKPYRWZAB-IEBWSBKVSA-N 1 2 340.471 3.825 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C=CCCC2)c(C)c1 ZINC000533069704 1029265894 /nfs/dbraw/zinc/26/58/94/1029265894.db2.gz IINDBESIJJXLTD-PKOBYXMFSA-N 1 2 338.455 3.649 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454759899 1029281174 /nfs/dbraw/zinc/28/11/74/1029281174.db2.gz NSEXLSIQUHOAGM-OAHLLOKOSA-N 1 2 344.459 3.908 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cs1 ZINC000272083111 1029302679 /nfs/dbraw/zinc/30/26/79/1029302679.db2.gz LWXILWDFOUNIRC-CQSZACIVSA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)cs1 ZINC000272083111 1029302691 /nfs/dbraw/zinc/30/26/91/1029302691.db2.gz LWXILWDFOUNIRC-CQSZACIVSA-N 1 2 334.485 3.624 20 0 EHADLO CCC1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCC1 ZINC000454773410 1029317416 /nfs/dbraw/zinc/31/74/16/1029317416.db2.gz YOCGHOUSTVLGPS-UHFFFAOYSA-N 1 2 342.443 3.806 20 0 EHADLO CCCCc1ccc(CC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000524570010 1029327275 /nfs/dbraw/zinc/32/72/75/1029327275.db2.gz HLKSXANHIRIUHQ-UHFFFAOYSA-N 1 2 325.456 3.585 20 0 EHADLO C[C@@H]1[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCN1c1ccccc1 ZINC000475988480 1029335532 /nfs/dbraw/zinc/33/55/32/1029335532.db2.gz URLSMCASFWJQFL-DNVCBOLYSA-N 1 2 346.434 3.930 20 0 EHADLO c1nc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cs1 ZINC000272213414 1029361887 /nfs/dbraw/zinc/36/18/87/1029361887.db2.gz JKRJDOMWHAMBJB-CQSZACIVSA-N 1 2 331.489 3.689 20 0 EHADLO c1nc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cs1 ZINC000272213414 1029361906 /nfs/dbraw/zinc/36/19/06/1029361906.db2.gz JKRJDOMWHAMBJB-CQSZACIVSA-N 1 2 331.489 3.689 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C)[C@@H](C)O1 ZINC000446071035 1029387611 /nfs/dbraw/zinc/38/76/11/1029387611.db2.gz LLXVRORJPVBSPL-FRRDWIJNSA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C)[C@@H](C)O1 ZINC000446071035 1029387618 /nfs/dbraw/zinc/38/76/18/1029387618.db2.gz LLXVRORJPVBSPL-FRRDWIJNSA-N 1 2 349.272 3.995 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[C@H](F)C1 ZINC000424855011 1029388474 /nfs/dbraw/zinc/38/84/74/1029388474.db2.gz SLPJFTWWMAKYBE-OLZOCXBDSA-N 1 2 335.810 3.670 20 0 EHADLO Cc1ccc(-c2noc([C@H]([NH3+])c3ccc(Br)cc3)n2)cc1 ZINC001212091000 1029390022 /nfs/dbraw/zinc/39/00/22/1029390022.db2.gz IVILECPCCAWSGE-CQSZACIVSA-N 1 2 344.212 3.856 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)o1 ZINC000078622088 1029400925 /nfs/dbraw/zinc/40/09/25/1029400925.db2.gz PBILPTWSSPKNMP-GDBMZVCRSA-N 1 2 332.469 3.834 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)o1 ZINC000078622088 1029400938 /nfs/dbraw/zinc/40/09/38/1029400938.db2.gz PBILPTWSSPKNMP-GDBMZVCRSA-N 1 2 332.469 3.834 20 0 EHADLO Cc1nc(C)c([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC000272309513 1029409136 /nfs/dbraw/zinc/40/91/36/1029409136.db2.gz WKPQRHWIZOYYFA-MBNYWOFBSA-N 1 2 346.500 3.942 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1F ZINC000272312856 1029411712 /nfs/dbraw/zinc/41/17/12/1029411712.db2.gz RZMRGWHFNMPXRV-MQBCKMQZSA-N 1 2 331.435 3.584 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000272323694 1029416984 /nfs/dbraw/zinc/41/69/84/1029416984.db2.gz ZLHAHIDJPDMJLR-SECBINFHSA-N 1 2 327.302 3.677 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000272323694 1029417000 /nfs/dbraw/zinc/41/70/00/1029417000.db2.gz ZLHAHIDJPDMJLR-SECBINFHSA-N 1 2 327.302 3.677 20 0 EHADLO CCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533168426 1029424519 /nfs/dbraw/zinc/42/45/19/1029424519.db2.gz WUAKWAXIYMBASK-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533168426 1029424530 /nfs/dbraw/zinc/42/45/30/1029424530.db2.gz WUAKWAXIYMBASK-JKSUJKDBSA-N 1 2 341.858 3.666 20 0 EHADLO O=C(c1cc(Oc2ccccc2)ccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524718761 1029466263 /nfs/dbraw/zinc/46/62/63/1029466263.db2.gz DMGVICINXIXIOK-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425027546 1029482230 /nfs/dbraw/zinc/48/22/30/1029482230.db2.gz DZHXTTLVOBCYEV-GFCCVEGCSA-N 1 2 347.846 3.543 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533241216 1029502113 /nfs/dbraw/zinc/50/21/13/1029502113.db2.gz UAMKNIRQBVKGTB-LFPRZYRFSA-N 1 2 344.474 3.904 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533241216 1029502122 /nfs/dbraw/zinc/50/21/22/1029502122.db2.gz UAMKNIRQBVKGTB-LFPRZYRFSA-N 1 2 344.474 3.904 20 0 EHADLO CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000533252328 1029529689 /nfs/dbraw/zinc/52/96/89/1029529689.db2.gz NJUSBPHTZSEVLZ-VLIAUNLRSA-N 1 2 344.455 3.546 20 0 EHADLO CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000533252328 1029529697 /nfs/dbraw/zinc/52/96/97/1029529697.db2.gz NJUSBPHTZSEVLZ-VLIAUNLRSA-N 1 2 344.455 3.546 20 0 EHADLO CCCCCN(CCCOC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000272606091 1029530842 /nfs/dbraw/zinc/53/08/42/1029530842.db2.gz PRPLJUWCALCCSU-UHFFFAOYSA-N 1 2 343.471 3.600 20 0 EHADLO COC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(Cl)c1 ZINC000454999623 1029541074 /nfs/dbraw/zinc/54/10/74/1029541074.db2.gz QQNYCCVKXYNDTQ-QGZVFWFLSA-N 1 2 347.846 3.539 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)C1 ZINC000272687926 1029568010 /nfs/dbraw/zinc/56/80/10/1029568010.db2.gz TVHMTECWOHPYQX-OAHLLOKOSA-N 1 2 346.818 3.653 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)C1 ZINC000272687926 1029568016 /nfs/dbraw/zinc/56/80/16/1029568016.db2.gz TVHMTECWOHPYQX-OAHLLOKOSA-N 1 2 346.818 3.653 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246044194 1029597801 /nfs/dbraw/zinc/59/78/01/1029597801.db2.gz ANWQQKWTTVGDCH-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO Cc1occc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246044194 1029597811 /nfs/dbraw/zinc/59/78/11/1029597811.db2.gz ANWQQKWTTVGDCH-CVEARBPZSA-N 1 2 336.794 3.556 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2C1 ZINC000125944385 1029637761 /nfs/dbraw/zinc/63/77/61/1029637761.db2.gz BOTQGCFKSNJTRC-IIAWOOMASA-N 1 2 343.496 3.793 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CC[C@H]3CCCCO3)CCO2)cc1Cl ZINC000347399920 1029728694 /nfs/dbraw/zinc/72/86/94/1029728694.db2.gz LYODTBJNVHFUBJ-RHSMWYFYSA-N 1 2 327.827 3.812 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CCCCO3)CCO2)cc1Cl ZINC000347399920 1029728702 /nfs/dbraw/zinc/72/87/02/1029728702.db2.gz LYODTBJNVHFUBJ-RHSMWYFYSA-N 1 2 327.827 3.812 20 0 EHADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000343199572 1029733343 /nfs/dbraw/zinc/73/33/43/1029733343.db2.gz SWTAHSFUGMWLOO-UHFFFAOYSA-N 1 2 343.789 3.903 20 0 EHADLO O=C(c1cccc(-c2cscn2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000525197533 1029740566 /nfs/dbraw/zinc/74/05/66/1029740566.db2.gz DKARPJICZJBNOX-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO CC1(C)CCCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000446676209 1029748522 /nfs/dbraw/zinc/74/85/22/1029748522.db2.gz JVBQSIIXXIDCQN-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156290385 1029787051 /nfs/dbraw/zinc/78/70/51/1029787051.db2.gz PDBRXHVHEOPGKZ-INIZCTEOSA-N 1 2 347.418 3.554 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455650282 1029812891 /nfs/dbraw/zinc/81/28/91/1029812891.db2.gz DMBIJNHBDWLCNS-VQIMIIECSA-N 1 2 325.456 3.610 20 0 EHADLO Fc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211580175 1029813715 /nfs/dbraw/zinc/81/37/15/1029813715.db2.gz OQWOGUGVJYSKHV-CYBMUJFWSA-N 1 2 333.313 3.741 20 0 EHADLO Fc1ccccc1CNc1cc(NCc2ccccc2F)[nH+]cn1 ZINC000242855732 1029843663 /nfs/dbraw/zinc/84/36/63/1029843663.db2.gz GCGSZGQEXLHSHG-UHFFFAOYSA-N 1 2 326.350 3.979 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)o1 ZINC000428457484 1029844728 /nfs/dbraw/zinc/84/47/28/1029844728.db2.gz XDMKPKBBJIEFRS-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000533818694 1029865974 /nfs/dbraw/zinc/86/59/74/1029865974.db2.gz UBDMIHFWTVMTED-UHFFFAOYSA-N 1 2 347.459 3.799 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808889 1029868396 /nfs/dbraw/zinc/86/83/96/1029868396.db2.gz NBZDRNXEFSAEGE-IRXDYDNUSA-N 1 2 335.517 3.544 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458547799 1029875003 /nfs/dbraw/zinc/87/50/03/1029875003.db2.gz AAOVMAQOZLORBX-MDZRGWNJSA-N 1 2 348.450 3.810 20 0 EHADLO Cn1ccc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)c1 ZINC000127513691 1029901133 /nfs/dbraw/zinc/90/11/33/1029901133.db2.gz QBRGLIPLGIUDCX-UHFFFAOYSA-N 1 2 326.469 3.726 20 0 EHADLO Cn1ccc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1 ZINC000127513691 1029901149 /nfs/dbraw/zinc/90/11/49/1029901149.db2.gz QBRGLIPLGIUDCX-UHFFFAOYSA-N 1 2 326.469 3.726 20 0 EHADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000453201804 1029904264 /nfs/dbraw/zinc/90/42/64/1029904264.db2.gz AVGIWPRMKLJRGH-DNVCBOLYSA-N 1 2 349.482 3.989 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cnn(C)c1 ZINC000447075713 1029925964 /nfs/dbraw/zinc/92/59/64/1029925964.db2.gz DWUKXWAVSUDYIG-CQSZACIVSA-N 1 2 334.261 3.520 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cnn(C)c1 ZINC000447075713 1029925979 /nfs/dbraw/zinc/92/59/79/1029925979.db2.gz DWUKXWAVSUDYIG-CQSZACIVSA-N 1 2 334.261 3.520 20 0 EHADLO C[N@H+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628420 1029940579 /nfs/dbraw/zinc/94/05/79/1029940579.db2.gz GWXPOIARVXRDCN-IBGZPJMESA-N 1 2 334.467 3.517 20 0 EHADLO C[NH+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628420 1029940590 /nfs/dbraw/zinc/94/05/90/1029940590.db2.gz GWXPOIARVXRDCN-IBGZPJMESA-N 1 2 334.467 3.517 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000054566415 1029940832 /nfs/dbraw/zinc/94/08/32/1029940832.db2.gz ZLPLYMAKXQXLEC-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000054566415 1029940842 /nfs/dbraw/zinc/94/08/42/1029940842.db2.gz ZLPLYMAKXQXLEC-FQEVSTJZSA-N 1 2 333.435 3.808 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN(c3ccccc3Cl)CC2)o1 ZINC000428470895 1029951738 /nfs/dbraw/zinc/95/17/38/1029951738.db2.gz TWKQJQJRTWYJCJ-UHFFFAOYSA-N 1 2 333.863 3.911 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc([C@H]2CCCO2)s1 ZINC000089807020 1030007334 /nfs/dbraw/zinc/00/73/34/1030007334.db2.gz OVUKCTNUIDSOHR-CYBMUJFWSA-N 1 2 340.408 3.637 20 0 EHADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000058525522 1030043115 /nfs/dbraw/zinc/04/31/15/1030043115.db2.gz RRAAFCTZXJOTBJ-OAHLLOKOSA-N 1 2 329.444 3.583 20 0 EHADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000058525522 1030043131 /nfs/dbraw/zinc/04/31/31/1030043131.db2.gz RRAAFCTZXJOTBJ-OAHLLOKOSA-N 1 2 329.444 3.583 20 0 EHADLO Cc1ccc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000481858773 1030043347 /nfs/dbraw/zinc/04/33/47/1030043347.db2.gz WMZVKTIUCDOGJA-PZJWPPBQSA-N 1 2 345.446 3.660 20 0 EHADLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1N1CCOCC1 ZINC001213088932 1030044484 /nfs/dbraw/zinc/04/44/84/1030044484.db2.gz LHAQVXDJBSFVMB-UHFFFAOYSA-N 1 2 334.423 3.965 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)CCCO2 ZINC000453297938 1030048769 /nfs/dbraw/zinc/04/87/69/1030048769.db2.gz UCKBPQSUWAPAQW-CQSZACIVSA-N 1 2 334.851 3.893 20 0 EHADLO CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000171374402 1030050973 /nfs/dbraw/zinc/05/09/73/1030050973.db2.gz LEHSYMJSTXMPAL-IYBDPMFKSA-N 1 2 333.476 3.558 20 0 EHADLO CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000171374402 1030050989 /nfs/dbraw/zinc/05/09/89/1030050989.db2.gz LEHSYMJSTXMPAL-IYBDPMFKSA-N 1 2 333.476 3.558 20 0 EHADLO COc1cccc2c1CC[C@H]2[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000531942190 1030059247 /nfs/dbraw/zinc/05/92/47/1030059247.db2.gz JOJNXUZYYUNZQN-QUCCMNQESA-N 1 2 333.435 3.795 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1F ZINC000343284037 1030088934 /nfs/dbraw/zinc/08/89/34/1030088934.db2.gz OHMGZUAYCXZGHD-OAHLLOKOSA-N 1 2 341.430 3.631 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120720650 1030098888 /nfs/dbraw/zinc/09/88/88/1030098888.db2.gz SYRKQOWHEGGDDP-RBUKOAKNSA-N 1 2 330.472 3.914 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000343286742 1030107003 /nfs/dbraw/zinc/10/70/03/1030107003.db2.gz MUDOWZWHXHUHPV-IBGZPJMESA-N 1 2 331.419 3.517 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651377 1030108985 /nfs/dbraw/zinc/10/89/85/1030108985.db2.gz BWDLIUULRFKLJU-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651377 1030108993 /nfs/dbraw/zinc/10/89/93/1030108993.db2.gz BWDLIUULRFKLJU-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000525782718 1030117809 /nfs/dbraw/zinc/11/78/09/1030117809.db2.gz BMNQHQNBBVYLBG-IAGOWNOFSA-N 1 2 342.458 3.874 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000525782718 1030117816 /nfs/dbraw/zinc/11/78/16/1030117816.db2.gz BMNQHQNBBVYLBG-IAGOWNOFSA-N 1 2 342.458 3.874 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000481918256 1030118837 /nfs/dbraw/zinc/11/88/37/1030118837.db2.gz FBEYDWSVWVBYME-INIZCTEOSA-N 1 2 343.446 3.720 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090530033 1030136361 /nfs/dbraw/zinc/13/63/61/1030136361.db2.gz RQHRSGWXMBIBCT-OKILXGFUSA-N 1 2 348.468 3.508 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090530033 1030136370 /nfs/dbraw/zinc/13/63/70/1030136370.db2.gz RQHRSGWXMBIBCT-OKILXGFUSA-N 1 2 348.468 3.508 20 0 EHADLO COc1cccnc1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000453349515 1030138020 /nfs/dbraw/zinc/13/80/20/1030138020.db2.gz DEOPVXDYQRCNJV-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1ccccc1Cl ZINC000156927253 1030138823 /nfs/dbraw/zinc/13/88/23/1030138823.db2.gz CFZYTHSOQDBPHF-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@H]3CCCC34CCCC4)[nH]2)cc1 ZINC000550796024 1030183652 /nfs/dbraw/zinc/18/36/52/1030183652.db2.gz QVVRVMGBWAEPFX-INIZCTEOSA-N 1 2 326.444 3.586 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000343310018 1030221061 /nfs/dbraw/zinc/22/10/61/1030221061.db2.gz YNVSZRHWPSEYSG-LJQANCHMSA-N 1 2 340.398 3.793 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000343310018 1030221073 /nfs/dbraw/zinc/22/10/73/1030221073.db2.gz YNVSZRHWPSEYSG-LJQANCHMSA-N 1 2 340.398 3.793 20 0 EHADLO COC(=O)c1coc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000447574411 1030293266 /nfs/dbraw/zinc/29/32/66/1030293266.db2.gz MZWITCQFVTYNTF-CYBMUJFWSA-N 1 2 329.400 3.625 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000453577913 1030367480 /nfs/dbraw/zinc/36/74/80/1030367480.db2.gz YCGSSNCAJTZKBD-ZETCQYMHSA-N 1 2 332.292 3.830 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)nc1C ZINC000278363575 1030384073 /nfs/dbraw/zinc/38/40/73/1030384073.db2.gz BCNRIFSKLDKIFC-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)nc1C ZINC000278363575 1030384088 /nfs/dbraw/zinc/38/40/88/1030384088.db2.gz BCNRIFSKLDKIFC-UHFFFAOYSA-N 1 2 329.419 3.607 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)cc(F)c2)c1C ZINC000058613730 1030400616 /nfs/dbraw/zinc/40/06/16/1030400616.db2.gz ILZAXOHQMNIYJS-UHFFFAOYSA-N 1 2 335.354 3.649 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cnc(C(F)(F)F)s1 ZINC000453621268 1030410999 /nfs/dbraw/zinc/41/09/99/1030410999.db2.gz YNTXRAQIEFYZTR-UHFFFAOYSA-N 1 2 332.395 3.554 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cnc(C(F)(F)F)s1 ZINC000453621268 1030411005 /nfs/dbraw/zinc/41/10/05/1030411005.db2.gz YNTXRAQIEFYZTR-UHFFFAOYSA-N 1 2 332.395 3.554 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081645 1030421677 /nfs/dbraw/zinc/42/16/77/1030421677.db2.gz ZGBZOSYMUAPNRX-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081645 1030421688 /nfs/dbraw/zinc/42/16/88/1030421688.db2.gz ZGBZOSYMUAPNRX-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO c1cn(-c2ccc(CSCc3ncn(-c4ccccc4)n3)cc2)c[nH+]1 ZINC000092336977 1030432023 /nfs/dbraw/zinc/43/20/23/1030432023.db2.gz NVABFHJWEDPVCQ-UHFFFAOYSA-N 1 2 347.447 3.886 20 0 EHADLO Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343348555 1030437169 /nfs/dbraw/zinc/43/71/69/1030437169.db2.gz YTZQGBQZUMXKFV-UHFFFAOYSA-N 1 2 344.777 3.680 20 0 EHADLO Fc1cccc(Cl)c1CCCN1CC[NH+](Cc2ccccn2)CC1 ZINC000447798517 1030484212 /nfs/dbraw/zinc/48/42/12/1030484212.db2.gz XLEPEOUJJQACEW-UHFFFAOYSA-N 1 2 347.865 3.625 20 0 EHADLO Fc1cccc(Cl)c1CCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000447798517 1030484223 /nfs/dbraw/zinc/48/42/23/1030484223.db2.gz XLEPEOUJJQACEW-UHFFFAOYSA-N 1 2 347.865 3.625 20 0 EHADLO CCCOc1c(Cl)cc(C[N@H+](C)Cc2cnccn2)cc1OCC ZINC000092591543 1030489085 /nfs/dbraw/zinc/48/90/85/1030489085.db2.gz KRPGUNVHYXZTAL-UHFFFAOYSA-N 1 2 349.862 3.950 20 0 EHADLO CCCOc1c(Cl)cc(C[N@@H+](C)Cc2cnccn2)cc1OCC ZINC000092591543 1030489100 /nfs/dbraw/zinc/48/91/00/1030489100.db2.gz KRPGUNVHYXZTAL-UHFFFAOYSA-N 1 2 349.862 3.950 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447825981 1030503106 /nfs/dbraw/zinc/50/31/06/1030503106.db2.gz GZRTYRKFHMXMJO-ZFRZLUBXSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447825981 1030503117 /nfs/dbraw/zinc/50/31/17/1030503117.db2.gz GZRTYRKFHMXMJO-ZFRZLUBXSA-N 1 2 327.827 3.808 20 0 EHADLO CCc1sc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1C ZINC000343362784 1030520141 /nfs/dbraw/zinc/52/01/41/1030520141.db2.gz UJCOQGZDWSZODD-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851034 1030539610 /nfs/dbraw/zinc/53/96/10/1030539610.db2.gz PYRFEEXOJVCONZ-OLZOCXBDSA-N 1 2 346.418 3.611 20 0 EHADLO CC[C@@H]1c2ccsc2CC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447851034 1030539615 /nfs/dbraw/zinc/53/96/15/1030539615.db2.gz PYRFEEXOJVCONZ-OLZOCXBDSA-N 1 2 346.418 3.611 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1 ZINC000447849380 1030540597 /nfs/dbraw/zinc/54/05/97/1030540597.db2.gz PLWDSLGXUCYSOL-SFHVURJKSA-N 1 2 325.387 3.693 20 0 EHADLO CCCCCOc1ccc(-c2cc([C@H]3COCC[NH2+]3)on2)cc1OC ZINC000901389071 1030548301 /nfs/dbraw/zinc/54/83/01/1030548301.db2.gz GGKIBNOFVNCVIT-MRXNPFEDSA-N 1 2 346.427 3.580 20 0 EHADLO CC1(c2ccccc2)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000583722873 1030549823 /nfs/dbraw/zinc/54/98/23/1030549823.db2.gz QKNBBDNZCTWVBC-UHFFFAOYSA-N 1 2 334.423 3.920 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085547 1030554028 /nfs/dbraw/zinc/55/40/28/1030554028.db2.gz LBUYUQIBVGIIGH-ZDUSSCGKSA-N 1 2 338.274 3.841 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085547 1030554035 /nfs/dbraw/zinc/55/40/35/1030554035.db2.gz LBUYUQIBVGIIGH-ZDUSSCGKSA-N 1 2 338.274 3.841 20 0 EHADLO Cc1cc2occ(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2cc1C ZINC000343372459 1030554578 /nfs/dbraw/zinc/55/45/78/1030554578.db2.gz XVUBSLKYTXPWCA-UHFFFAOYSA-N 1 2 346.390 3.942 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343372888 1030557812 /nfs/dbraw/zinc/55/78/12/1030557812.db2.gz ZKFZOWJCQWKEST-UHFFFAOYSA-N 1 2 342.402 3.661 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)c1 ZINC000060479692 1030567045 /nfs/dbraw/zinc/56/70/45/1030567045.db2.gz GGJBUSFJONNMID-IBGZPJMESA-N 1 2 347.466 3.925 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)c1 ZINC000060479692 1030567060 /nfs/dbraw/zinc/56/70/60/1030567060.db2.gz GGJBUSFJONNMID-IBGZPJMESA-N 1 2 347.466 3.925 20 0 EHADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000093236366 1030576649 /nfs/dbraw/zinc/57/66/49/1030576649.db2.gz BJQBICZTSHNLDF-QGZVFWFLSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000093236366 1030576654 /nfs/dbraw/zinc/57/66/54/1030576654.db2.gz BJQBICZTSHNLDF-QGZVFWFLSA-N 1 2 339.483 3.902 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000447938695 1030594948 /nfs/dbraw/zinc/59/49/48/1030594948.db2.gz GZTJCQOJPNWAFS-LLVKDONJSA-N 1 2 345.468 3.622 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1NC(C)=O ZINC000447944263 1030596772 /nfs/dbraw/zinc/59/67/72/1030596772.db2.gz ZXMVAPFYBGUKJE-UHFFFAOYSA-N 1 2 347.484 3.697 20 0 EHADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)o1 ZINC000093480492 1030614967 /nfs/dbraw/zinc/61/49/67/1030614967.db2.gz PFMKHQWROVXVOR-GOSISDBHSA-N 1 2 342.439 3.762 20 0 EHADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)o1 ZINC000093480492 1030614984 /nfs/dbraw/zinc/61/49/84/1030614984.db2.gz PFMKHQWROVXVOR-GOSISDBHSA-N 1 2 342.439 3.762 20 0 EHADLO COc1ccc2oc(C[N@@H+]3CCO[C@@H](c4cccc(O)c4)C3)cc2c1 ZINC000093458138 1030616761 /nfs/dbraw/zinc/61/67/61/1030616761.db2.gz XZHMCJNNRJELIY-HXUWFJFHSA-N 1 2 339.391 3.721 20 0 EHADLO COc1ccc2oc(C[N@H+]3CCO[C@@H](c4cccc(O)c4)C3)cc2c1 ZINC000093458138 1030616762 /nfs/dbraw/zinc/61/67/62/1030616762.db2.gz XZHMCJNNRJELIY-HXUWFJFHSA-N 1 2 339.391 3.721 20 0 EHADLO Cn1nccc1[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000448025964 1030657377 /nfs/dbraw/zinc/65/73/77/1030657377.db2.gz GMXCDQFGIVORNB-IAGOWNOFSA-N 1 2 339.487 3.944 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)cnc2n1 ZINC000093686138 1030658111 /nfs/dbraw/zinc/65/81/11/1030658111.db2.gz HFLRBTZSTSAZAK-KRWDZBQOSA-N 1 2 326.831 3.947 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)cnc2n1 ZINC000093686138 1030658120 /nfs/dbraw/zinc/65/81/20/1030658120.db2.gz HFLRBTZSTSAZAK-KRWDZBQOSA-N 1 2 326.831 3.947 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F ZINC000657791202 1030670276 /nfs/dbraw/zinc/67/02/76/1030670276.db2.gz BNSDAKOXBRTCSQ-HNNXBMFYSA-N 1 2 349.274 3.946 20 0 EHADLO COC[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(F)cc1 ZINC000482724179 1030672629 /nfs/dbraw/zinc/67/26/29/1030672629.db2.gz LBBUTFVYVZGMBI-INIZCTEOSA-N 1 2 347.821 3.843 20 0 EHADLO CC(C)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)c2ccccc2n1 ZINC000122565739 1030678558 /nfs/dbraw/zinc/67/85/58/1030678558.db2.gz SGVJFAIQTQMHTE-UHFFFAOYSA-N 1 2 336.439 3.717 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(SC)cc1OC ZINC000093841203 1030680298 /nfs/dbraw/zinc/68/02/98/1030680298.db2.gz QBDZNAGLZWJWOM-QGZVFWFLSA-N 1 2 349.452 3.592 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(SC)cc1OC ZINC000093841203 1030680310 /nfs/dbraw/zinc/68/03/10/1030680310.db2.gz QBDZNAGLZWJWOM-QGZVFWFLSA-N 1 2 349.452 3.592 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1nccn1C ZINC000657792371 1030688214 /nfs/dbraw/zinc/68/82/14/1030688214.db2.gz AGRQINMKPCQUME-ZETCQYMHSA-N 1 2 334.670 3.748 20 0 EHADLO CCc1cccc2c1N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000583771552 1030693755 /nfs/dbraw/zinc/69/37/55/1030693755.db2.gz UCGAINJGBAAOEF-UHFFFAOYSA-N 1 2 331.419 3.697 20 0 EHADLO COc1cc(SC)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278416304 1030711089 /nfs/dbraw/zinc/71/10/89/1030711089.db2.gz ZYPZXPSCHHPJSS-GFCCVEGCSA-N 1 2 346.456 3.552 20 0 EHADLO COc1ccc(OC)c([C@H](C)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000360053208 1030720064 /nfs/dbraw/zinc/72/00/64/1030720064.db2.gz CQFQMJLSXPFEJR-LIRRHRJNSA-N 1 2 326.440 3.541 20 0 EHADLO COc1ccc(OC)c([C@H](C)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000360053208 1030720075 /nfs/dbraw/zinc/72/00/75/1030720075.db2.gz CQFQMJLSXPFEJR-LIRRHRJNSA-N 1 2 326.440 3.541 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324225 1030793557 /nfs/dbraw/zinc/79/35/57/1030793557.db2.gz YZXJIOYRPJIIDM-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324225 1030793568 /nfs/dbraw/zinc/79/35/68/1030793568.db2.gz YZXJIOYRPJIIDM-AVRDEDQJSA-N 1 2 347.462 3.893 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1F ZINC000171613924 1030799786 /nfs/dbraw/zinc/79/97/86/1030799786.db2.gz NFWQQWHVXSDIAE-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1F ZINC000171613924 1030799803 /nfs/dbraw/zinc/79/98/03/1030799803.db2.gz NFWQQWHVXSDIAE-LJQANCHMSA-N 1 2 328.362 3.538 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172094190 1030831165 /nfs/dbraw/zinc/83/11/65/1030831165.db2.gz WZFBCGBWZLULPS-APWZRJJASA-N 1 2 331.419 3.891 20 0 EHADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172106124 1030834574 /nfs/dbraw/zinc/83/45/74/1030834574.db2.gz NMDMKMWXMXLVPU-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO C[C@H](CCNc1cccc(CN2CCOCC2)[nH+]1)c1ccccc1 ZINC000194536624 1030841783 /nfs/dbraw/zinc/84/17/83/1030841783.db2.gz CCGNMUZJFUDIFX-QGZVFWFLSA-N 1 2 325.456 3.520 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096642966 1030851229 /nfs/dbraw/zinc/85/12/29/1030851229.db2.gz VLILTXSOKWUWPC-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000097079067 1030887574 /nfs/dbraw/zinc/88/75/74/1030887574.db2.gz OVQQLMIEDFNUBZ-CQSZACIVSA-N 1 2 340.427 3.933 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000097079067 1030887594 /nfs/dbraw/zinc/88/75/94/1030887594.db2.gz OVQQLMIEDFNUBZ-CQSZACIVSA-N 1 2 340.427 3.933 20 0 EHADLO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1)c1ccccc1 ZINC000123079444 1030890677 /nfs/dbraw/zinc/89/06/77/1030890677.db2.gz IHTSMUZCGGKLTG-UHFFFAOYSA-N 1 2 346.833 3.874 20 0 EHADLO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000115611212 1030893513 /nfs/dbraw/zinc/89/35/13/1030893513.db2.gz RTOQFKFTYLIUFR-SFHVURJKSA-N 1 2 342.345 3.541 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000131008181 1030931460 /nfs/dbraw/zinc/93/14/60/1030931460.db2.gz RSRSHGAZHAEQLT-MSOLQXFVSA-N 1 2 326.444 3.600 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)[C@@H]1c1ccccc1 ZINC000483055436 1030931608 /nfs/dbraw/zinc/93/16/08/1030931608.db2.gz HSYOIIANHNXMPZ-QRWLVFNGSA-N 1 2 338.476 3.818 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)[C@@H]1c1ccccc1 ZINC000483055436 1030931625 /nfs/dbraw/zinc/93/16/25/1030931625.db2.gz HSYOIIANHNXMPZ-QRWLVFNGSA-N 1 2 338.476 3.818 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)ccn1 ZINC000527537841 1030994136 /nfs/dbraw/zinc/99/41/36/1030994136.db2.gz BSQIPWUBMFLOCK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)ccn1 ZINC000527537841 1030994152 /nfs/dbraw/zinc/99/41/52/1030994152.db2.gz BSQIPWUBMFLOCK-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccn1 ZINC000527538065 1030995092 /nfs/dbraw/zinc/99/50/92/1030995092.db2.gz HHXQEVKBTPDVQG-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccn1 ZINC000527538065 1030995108 /nfs/dbraw/zinc/99/51/08/1030995108.db2.gz HHXQEVKBTPDVQG-KRWDZBQOSA-N 1 2 334.366 3.565 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)n(-c2ccccc2)n1 ZINC000448345073 1030997687 /nfs/dbraw/zinc/99/76/87/1030997687.db2.gz QJOGPPWLKYKYDH-QFIPXVFZSA-N 1 2 345.446 3.546 20 0 EHADLO c1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)n(-c2ccccc2)n1 ZINC000448345073 1030997701 /nfs/dbraw/zinc/99/77/01/1030997701.db2.gz QJOGPPWLKYKYDH-QFIPXVFZSA-N 1 2 345.446 3.546 20 0 EHADLO FC(F)(F)c1ccccc1CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343468974 1031005081 /nfs/dbraw/zinc/00/50/81/1031005081.db2.gz BCIFHFDHQIJFLG-INIZCTEOSA-N 1 2 346.356 3.745 20 0 EHADLO CC[C@@]1(C)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000343466849 1031013045 /nfs/dbraw/zinc/01/30/45/1031013045.db2.gz RLMYLBCPRGKBHT-KRWDZBQOSA-N 1 2 336.505 3.783 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1F ZINC000527615234 1031037600 /nfs/dbraw/zinc/03/76/00/1031037600.db2.gz RUAGIBQONZGCRU-NSHDSACASA-N 1 2 342.187 3.618 20 0 EHADLO Fc1c(Br)ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1F ZINC000527615234 1031037626 /nfs/dbraw/zinc/03/76/26/1031037626.db2.gz RUAGIBQONZGCRU-NSHDSACASA-N 1 2 342.187 3.618 20 0 EHADLO COc1ccc(COCCCNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000116260816 1031053389 /nfs/dbraw/zinc/05/33/89/1031053389.db2.gz ZVQIWBIGCJIFBJ-UHFFFAOYSA-N 1 2 327.428 3.690 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(C)C)C2 ZINC000476907566 1031063520 /nfs/dbraw/zinc/06/35/20/1031063520.db2.gz GTCVWHLGAVLCID-RISCZKNCSA-N 1 2 345.409 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](CC(F)(F)F)C(C)C)CC2 ZINC000476907566 1031063537 /nfs/dbraw/zinc/06/35/37/1031063537.db2.gz GTCVWHLGAVLCID-RISCZKNCSA-N 1 2 345.409 3.731 20 0 EHADLO O=C(c1cc2cscc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527635940 1031063375 /nfs/dbraw/zinc/06/33/75/1031063375.db2.gz PMFMGNSEXNBYLR-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO Fc1cc(Br)cnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000527637835 1031065420 /nfs/dbraw/zinc/06/54/20/1031065420.db2.gz PAIURDSCPPQIHH-GFCCVEGCSA-N 1 2 325.181 3.743 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1ncc(Br)cc1F ZINC000527643228 1031071176 /nfs/dbraw/zinc/07/11/76/1031071176.db2.gz OBNHUASXTYZJMW-UHFFFAOYSA-N 1 2 339.208 3.672 20 0 EHADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C)c1 ZINC000476928859 1031074780 /nfs/dbraw/zinc/07/47/80/1031074780.db2.gz CHVXCULZJQFUEM-UHFFFAOYSA-N 1 2 341.436 3.803 20 0 EHADLO CC[N@H+](CCC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000760537869 1031109015 /nfs/dbraw/zinc/10/90/15/1031109015.db2.gz GNEZGAWDMMPQEC-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO CC[N@@H+](CCC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000760537869 1031109029 /nfs/dbraw/zinc/10/90/29/1031109029.db2.gz GNEZGAWDMMPQEC-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO Cc1cc([C@H](C)NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)c(C)s1 ZINC000343491444 1031109612 /nfs/dbraw/zinc/10/96/12/1031109612.db2.gz GCFRMPXUIRBGEH-IFIJOSMWSA-N 1 2 343.496 3.710 20 0 EHADLO CCOc1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(F)cc1OC ZINC000527678065 1031112604 /nfs/dbraw/zinc/11/26/04/1031112604.db2.gz WDBPDEVPWUMELU-UHFFFAOYSA-N 1 2 347.434 3.834 20 0 EHADLO Cc1noc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)n1 ZINC000483338616 1031113151 /nfs/dbraw/zinc/11/31/51/1031113151.db2.gz IODSNWXKJCHJQA-STQMWFEESA-N 1 2 330.432 3.569 20 0 EHADLO Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173568942 1031113737 /nfs/dbraw/zinc/11/37/37/1031113737.db2.gz DPBCXASKEOJXDF-LJQANCHMSA-N 1 2 334.423 3.578 20 0 EHADLO CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173569284 1031113890 /nfs/dbraw/zinc/11/38/90/1031113890.db2.gz FSIMLLGMGGBCBC-LJQANCHMSA-N 1 2 333.435 3.966 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ncc(Br)cc1F ZINC000527708459 1031142148 /nfs/dbraw/zinc/14/21/48/1031142148.db2.gz IDONNSUAWWAFMN-BJOHPYRUSA-N 1 2 337.192 3.595 20 0 EHADLO COc1cc(C[NH2+]Cc2noc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000527708074 1031142785 /nfs/dbraw/zinc/14/27/85/1031142785.db2.gz FMQNVHXGSOAOSN-UHFFFAOYSA-N 1 2 340.345 3.871 20 0 EHADLO CC(C)[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000476993276 1031151181 /nfs/dbraw/zinc/15/11/81/1031151181.db2.gz UWEOCCSQOOVTLZ-HNNXBMFYSA-N 1 2 335.245 3.859 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(OC)cc1F)c1ccccc1 ZINC000343503728 1031151433 /nfs/dbraw/zinc/15/14/33/1031151433.db2.gz LJIFMLCHXJNBTA-LJQANCHMSA-N 1 2 344.430 3.534 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cs1 ZINC000173897825 1031155286 /nfs/dbraw/zinc/15/52/86/1031155286.db2.gz DYFPZRSAFRIDAL-KRWDZBQOSA-N 1 2 344.484 3.505 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cs1 ZINC000173897825 1031155301 /nfs/dbraw/zinc/15/53/01/1031155301.db2.gz DYFPZRSAFRIDAL-KRWDZBQOSA-N 1 2 344.484 3.505 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc(OC)c3OC)CCO2)cc1 ZINC000483426619 1031156925 /nfs/dbraw/zinc/15/69/25/1031156925.db2.gz FRXAUDASWJPVKT-HXUWFJFHSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc(OC)c3OC)CCO2)cc1 ZINC000483426619 1031156930 /nfs/dbraw/zinc/15/69/30/1031156930.db2.gz FRXAUDASWJPVKT-HXUWFJFHSA-N 1 2 341.451 3.840 20 0 EHADLO CCC[N@H+](Cc1ccc(Br)o1)[C@@H](CC)C(=O)OCC ZINC000483432256 1031166253 /nfs/dbraw/zinc/16/62/53/1031166253.db2.gz HKOWKAWKBFZCPW-LBPRGKRZSA-N 1 2 332.238 3.596 20 0 EHADLO CCC[N@@H+](Cc1ccc(Br)o1)[C@@H](CC)C(=O)OCC ZINC000483432256 1031166263 /nfs/dbraw/zinc/16/62/63/1031166263.db2.gz HKOWKAWKBFZCPW-LBPRGKRZSA-N 1 2 332.238 3.596 20 0 EHADLO Fc1ccc([C@H]([NH2+]CCCc2cccc(Cl)c2)c2cn[nH]n2)cc1 ZINC000551278365 1031187580 /nfs/dbraw/zinc/18/75/80/1031187580.db2.gz QDRPYOQOIRWBEX-SFHVURJKSA-N 1 2 344.821 3.909 20 0 EHADLO COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000174494984 1031223347 /nfs/dbraw/zinc/22/33/47/1031223347.db2.gz WIFJJKWSUPBIHG-CYBMUJFWSA-N 1 2 339.370 3.511 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000536170209 1031225050 /nfs/dbraw/zinc/22/50/50/1031225050.db2.gz RTOGNVAUICBOPV-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000536170209 1031225064 /nfs/dbraw/zinc/22/50/64/1031225064.db2.gz RTOGNVAUICBOPV-CQSZACIVSA-N 1 2 328.456 3.894 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)CCCC(F)(F)F)C2 ZINC000477088337 1031233002 /nfs/dbraw/zinc/23/30/02/1031233002.db2.gz NBKPVUDOBNAKPT-VXGBXAGGSA-N 1 2 345.409 3.875 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)CCCC(F)(F)F)CC2 ZINC000477088337 1031233018 /nfs/dbraw/zinc/23/30/18/1031233018.db2.gz NBKPVUDOBNAKPT-VXGBXAGGSA-N 1 2 345.409 3.875 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174650949 1031241113 /nfs/dbraw/zinc/24/11/13/1031241113.db2.gz YNDNVQZZPMQQMB-TZIWHRDSSA-N 1 2 329.403 3.715 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477142262 1031281902 /nfs/dbraw/zinc/28/19/02/1031281902.db2.gz XFZRHDFRVYOSFP-UHFFFAOYSA-N 1 2 346.519 3.659 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527825401 1031290226 /nfs/dbraw/zinc/29/02/26/1031290226.db2.gz WMONLANXRYSBGQ-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000551401236 1031299339 /nfs/dbraw/zinc/29/93/39/1031299339.db2.gz AAFGABYKGLXRAB-UHFFFAOYSA-N 1 2 328.378 3.906 20 0 EHADLO CC[C@H](C)[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000116723892 1031320651 /nfs/dbraw/zinc/32/06/51/1031320651.db2.gz AFMHGGYUNNWNJK-JXFKEZNVSA-N 1 2 339.483 3.708 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483973043 1031409876 /nfs/dbraw/zinc/40/98/76/1031409876.db2.gz BYSQCTNUQWLSCW-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483973043 1031409891 /nfs/dbraw/zinc/40/98/91/1031409891.db2.gz BYSQCTNUQWLSCW-MRXNPFEDSA-N 1 2 338.451 3.779 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000483999543 1031418472 /nfs/dbraw/zinc/41/84/72/1031418472.db2.gz BCSHCORSKYCFKW-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000483999543 1031418485 /nfs/dbraw/zinc/41/84/85/1031418485.db2.gz BCSHCORSKYCFKW-AWEZNQCLSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C)c1cccc2ccccc21 ZINC000477304773 1031419355 /nfs/dbraw/zinc/41/93/55/1031419355.db2.gz FZFIAWMSGJABDS-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C)c1cccc2ccccc21 ZINC000477304773 1031419367 /nfs/dbraw/zinc/41/93/67/1031419367.db2.gz FZFIAWMSGJABDS-CVEARBPZSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000448659042 1031424772 /nfs/dbraw/zinc/42/47/72/1031424772.db2.gz DOBKWXSIZNXFHB-MDZRGWNJSA-N 1 2 325.456 3.620 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000083019070 1031446149 /nfs/dbraw/zinc/44/61/49/1031446149.db2.gz CCLKTTCHDNUVST-LSDHHAIUSA-N 1 2 348.878 3.760 20 0 EHADLO Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@H](c3cccs3)c3nnc[nH]3)[C@H]21 ZINC000527941617 1031467732 /nfs/dbraw/zinc/46/77/32/1031467732.db2.gz GZZNPXVCNZKVBU-DRPJVOAASA-N 1 2 342.855 3.537 20 0 EHADLO Cn1ccnc1C([NH2+]C1CCC(c2ccccc2)CC1)c1nccn1C ZINC000527948264 1031479691 /nfs/dbraw/zinc/47/96/91/1031479691.db2.gz IDWANVUUTZBDBT-UHFFFAOYSA-N 1 2 349.482 3.559 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000347420629 1031502382 /nfs/dbraw/zinc/50/23/82/1031502382.db2.gz CHGAVEMZPZRTPG-JHJVBQTASA-N 1 2 349.887 3.645 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000347417226 1031505921 /nfs/dbraw/zinc/50/59/21/1031505921.db2.gz DNFIPDVFHVGBRQ-BRSBDYLESA-N 1 2 329.488 3.733 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000347428071 1031510246 /nfs/dbraw/zinc/51/02/46/1031510246.db2.gz JKDVYMGOQVLBPQ-HNNXBMFYSA-N 1 2 325.437 3.655 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2cccnc2C)nnn1-c1ccc(Cl)cc1 ZINC000527982087 1031519718 /nfs/dbraw/zinc/51/97/18/1031519718.db2.gz ALMOLTBAVNXSQK-CYBMUJFWSA-N 1 2 341.846 3.783 20 0 EHADLO Brc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000177202587 1031521899 /nfs/dbraw/zinc/52/18/99/1031521899.db2.gz AENKLKKLHQDNLX-UONOGXRCSA-N 1 2 327.291 3.704 20 0 EHADLO Brc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000177202587 1031521914 /nfs/dbraw/zinc/52/19/14/1031521914.db2.gz AENKLKKLHQDNLX-UONOGXRCSA-N 1 2 327.291 3.704 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+](C)Cc3nc4ccccc4n3C)cnc21 ZINC000177206043 1031522287 /nfs/dbraw/zinc/52/22/87/1031522287.db2.gz ULIAQJLUJBUUIZ-UHFFFAOYSA-N 1 2 348.454 3.531 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+](C)Cc3nc4ccccc4n3C)cnc21 ZINC000177206043 1031522300 /nfs/dbraw/zinc/52/23/00/1031522300.db2.gz ULIAQJLUJBUUIZ-UHFFFAOYSA-N 1 2 348.454 3.531 20 0 EHADLO CC(C)C[C@@H](c1nc([C@@H]2CCOc3ccccc32)no1)n1cc[nH+]c1 ZINC000923886889 1031524589 /nfs/dbraw/zinc/52/45/89/1031524589.db2.gz XMVUQKHBOBTVHB-CVEARBPZSA-N 1 2 338.411 3.816 20 0 EHADLO Cn1cc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2n1 ZINC000527962876 1031529613 /nfs/dbraw/zinc/52/96/13/1031529613.db2.gz MXMSFLIPRJTTAU-QGZVFWFLSA-N 1 2 329.394 3.929 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)NCc1cccs1 ZINC000343594140 1031539532 /nfs/dbraw/zinc/53/95/32/1031539532.db2.gz YJDNZBKUCXGLPP-ZDUSSCGKSA-N 1 2 336.888 3.928 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)NCc1cccs1 ZINC000343594140 1031539539 /nfs/dbraw/zinc/53/95/39/1031539539.db2.gz YJDNZBKUCXGLPP-ZDUSSCGKSA-N 1 2 336.888 3.928 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365544 1031555946 /nfs/dbraw/zinc/55/59/46/1031555946.db2.gz YGGKFMGJRQGDBX-IFXJQAMLSA-N 1 2 343.423 3.763 20 0 EHADLO CCc1ccc([C@H]2C[N@H+]([C@@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365544 1031555956 /nfs/dbraw/zinc/55/59/56/1031555956.db2.gz YGGKFMGJRQGDBX-IFXJQAMLSA-N 1 2 343.423 3.763 20 0 EHADLO Cc1ccn(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177347752 1031559353 /nfs/dbraw/zinc/55/93/53/1031559353.db2.gz OKZIESDUSIZDTN-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO COc1cc(C)cc(NC(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000278595031 1031566750 /nfs/dbraw/zinc/56/67/50/1031566750.db2.gz IACGHICTRXCSKR-UHFFFAOYSA-N 1 2 342.443 3.721 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccsc2)c2nccn2C)cc1 ZINC000177811857 1031573354 /nfs/dbraw/zinc/57/33/54/1031573354.db2.gz RTBPRGFIROPZKV-SUMWQHHRSA-N 1 2 327.453 3.930 20 0 EHADLO CC(C)[C@@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347441640 1031589776 /nfs/dbraw/zinc/58/97/76/1031589776.db2.gz LCMMULQSDRRWCL-RBUKOAKNSA-N 1 2 339.483 3.956 20 0 EHADLO O=C(NCCc1cccc2ccccc21)NCc1ccn2cc[nH+]c2c1 ZINC000177922457 1031597285 /nfs/dbraw/zinc/59/72/85/1031597285.db2.gz GHJGKXYIUBUUKP-UHFFFAOYSA-N 1 2 344.418 3.529 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1CC(F)(F)F ZINC000178214441 1031643425 /nfs/dbraw/zinc/64/34/25/1031643425.db2.gz UZWISRABEBBVIF-UHFFFAOYSA-N 1 2 348.328 3.761 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3ccn4cc[nH+]c4c3)coc2c1C ZINC000178388477 1031692955 /nfs/dbraw/zinc/69/29/55/1031692955.db2.gz WORVNPVZMWKCRU-UHFFFAOYSA-N 1 2 333.391 3.556 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2s1 ZINC000178815561 1031732455 /nfs/dbraw/zinc/73/24/55/1031732455.db2.gz ICJVYSWWMFHWEC-JSGCOSHPSA-N 1 2 325.437 3.538 20 0 EHADLO COc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484562786 1031739920 /nfs/dbraw/zinc/73/99/20/1031739920.db2.gz GYXRWXNPGZYQIP-OXQOHEQNSA-N 1 2 327.424 3.536 20 0 EHADLO COc1cccc([C@@H](C)[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484562786 1031739939 /nfs/dbraw/zinc/73/99/39/1031739939.db2.gz GYXRWXNPGZYQIP-OXQOHEQNSA-N 1 2 327.424 3.536 20 0 EHADLO [NH3+][C@H](c1nc(CC2CCCC2)no1)c1ccc(Br)cc1 ZINC000904120768 1031756691 /nfs/dbraw/zinc/75/66/91/1031756691.db2.gz DMCRCYGUZKEIES-AWEZNQCLSA-N 1 2 336.233 3.613 20 0 EHADLO COCc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000179208783 1031756780 /nfs/dbraw/zinc/75/67/80/1031756780.db2.gz QINGRQDXFCTXIQ-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO COCc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000179208783 1031756788 /nfs/dbraw/zinc/75/67/88/1031756788.db2.gz QINGRQDXFCTXIQ-IBGZPJMESA-N 1 2 333.378 3.685 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCCC34CC4)n2)CC1 ZINC000528136273 1031762125 /nfs/dbraw/zinc/76/21/25/1031762125.db2.gz AJYMJFZYNWPJBT-OAHLLOKOSA-N 1 2 333.501 3.894 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1csc(-c2ccccc2)n1 ZINC000666101062 1031764234 /nfs/dbraw/zinc/76/42/34/1031764234.db2.gz HASGIDNRLYGDSI-CYBMUJFWSA-N 1 2 329.469 3.520 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3sccc3Cl)n2)c1 ZINC000278637696 1031772687 /nfs/dbraw/zinc/77/26/87/1031772687.db2.gz FWDYERROFVVQNT-JTQLQIEISA-N 1 2 333.848 3.741 20 0 EHADLO CN(CCCCc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117617398 1031780930 /nfs/dbraw/zinc/78/09/30/1031780930.db2.gz MXMFLNRRPBNVAS-UHFFFAOYSA-N 1 2 333.435 3.967 20 0 EHADLO COc1ccc(CCCN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117626120 1031782147 /nfs/dbraw/zinc/78/21/47/1031782147.db2.gz QYYWOIPPRXIGCW-UHFFFAOYSA-N 1 2 349.434 3.586 20 0 EHADLO COc1ccc(CC[C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117632883 1031785523 /nfs/dbraw/zinc/78/55/23/1031785523.db2.gz ZRNKSNNGESZIIL-MRXNPFEDSA-N 1 2 349.434 3.632 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCSc2ccccc21)C1CC1 ZINC000086232986 1031815020 /nfs/dbraw/zinc/81/50/20/1031815020.db2.gz ZBYKLPNLJDOSDU-CQSZACIVSA-N 1 2 342.464 3.944 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCSc2ccccc21)C1CC1 ZINC000086232986 1031815041 /nfs/dbraw/zinc/81/50/41/1031815041.db2.gz ZBYKLPNLJDOSDU-CQSZACIVSA-N 1 2 342.464 3.944 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234619 1031815263 /nfs/dbraw/zinc/81/52/63/1031815263.db2.gz GYQMMIJMYNFNPK-CYBMUJFWSA-N 1 2 346.393 3.852 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234619 1031815279 /nfs/dbraw/zinc/81/52/79/1031815279.db2.gz GYQMMIJMYNFNPK-CYBMUJFWSA-N 1 2 346.393 3.852 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cn1 ZINC000584148653 1031815406 /nfs/dbraw/zinc/81/54/06/1031815406.db2.gz ONCPPPPKAJPAPU-ZDUSSCGKSA-N 1 2 345.397 3.779 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1c[nH]cn1)OCCO3 ZINC000179883197 1031816874 /nfs/dbraw/zinc/81/68/74/1031816874.db2.gz VJYVOVQQONJNDP-AWEZNQCLSA-N 1 2 339.439 3.570 20 0 EHADLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1c[nH]cn1)OCCO3 ZINC000179883197 1031816896 /nfs/dbraw/zinc/81/68/96/1031816896.db2.gz VJYVOVQQONJNDP-AWEZNQCLSA-N 1 2 339.439 3.570 20 0 EHADLO C[C@@H]1Cc2ccccc2N(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635502036 1031817884 /nfs/dbraw/zinc/81/78/84/1031817884.db2.gz COFGINHAKKSXGT-IUODEOHRSA-N 1 2 337.345 3.602 20 0 EHADLO Cc1cc(N)nc(SCc2cc(F)cc(Br)c2)[nH+]1 ZINC000168874813 1031850681 /nfs/dbraw/zinc/85/06/81/1031850681.db2.gz GGWXHKDWBFNVPX-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO Cc1ccc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cc1Br ZINC000584175561 1031859477 /nfs/dbraw/zinc/85/94/77/1031859477.db2.gz DJZSBSKYKFHPFP-LLVKDONJSA-N 1 2 347.216 3.808 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000904268504 1031895660 /nfs/dbraw/zinc/89/56/60/1031895660.db2.gz SSWUQIGKLQTUBH-BMIGLBTASA-N 1 2 342.424 3.501 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000904272125 1031898819 /nfs/dbraw/zinc/89/88/19/1031898819.db2.gz KQDAOQYLCAMWAV-VHSXEESVSA-N 1 2 326.322 3.858 20 0 EHADLO COc1ccccc1CC(C)(C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260993 1031904499 /nfs/dbraw/zinc/90/44/99/1031904499.db2.gz WDQBGRHKWHLUFB-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO CCCOc1ccc(CCc2nc(-c3ccc(N)[nH+]c3C)no2)cc1 ZINC000904259657 1031905706 /nfs/dbraw/zinc/90/57/06/1031905706.db2.gz ICMIWNLMXQRRKM-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000537834770 1031950097 /nfs/dbraw/zinc/95/00/97/1031950097.db2.gz JCMLIDAYFHKXHB-UHFFFAOYSA-N 1 2 348.406 3.841 20 0 EHADLO C[C@@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC=CCC1 ZINC000459399382 1032037571 /nfs/dbraw/zinc/03/75/71/1032037571.db2.gz LQWJLUYHSJESPC-LJQANCHMSA-N 1 2 340.427 3.582 20 0 EHADLO Cc1occc1C[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449019546 1032038945 /nfs/dbraw/zinc/03/89/45/1032038945.db2.gz NOSSPISIKCQGSR-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO Cc1occc1C[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449019546 1032038957 /nfs/dbraw/zinc/03/89/57/1032038957.db2.gz NOSSPISIKCQGSR-UHFFFAOYSA-N 1 2 334.847 3.710 20 0 EHADLO O=C(Cc1cccc(O)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182049152 1032055427 /nfs/dbraw/zinc/05/54/27/1032055427.db2.gz SCCYZOHCFXKBBU-UHFFFAOYSA-N 1 2 347.418 3.773 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@@H+]1CCOCC12CCC2 ZINC000449025921 1032056720 /nfs/dbraw/zinc/05/67/20/1032056720.db2.gz DDJVDIJAXFVWFN-UHFFFAOYSA-N 1 2 328.481 3.683 20 0 EHADLO c1nc(CCc2ccccc2)sc1C[N@H+]1CCOCC12CCC2 ZINC000449025921 1032056736 /nfs/dbraw/zinc/05/67/36/1032056736.db2.gz DDJVDIJAXFVWFN-UHFFFAOYSA-N 1 2 328.481 3.683 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC000574566627 1033298284 /nfs/dbraw/zinc/29/82/84/1033298284.db2.gz WNQVUUFUTWIQPB-XAUMDUMWSA-N 1 2 325.456 3.875 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416342 1033306510 /nfs/dbraw/zinc/30/65/10/1033306510.db2.gz KQVYHFVTGMHPNM-ZWNOBZJWSA-N 1 2 347.768 3.667 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)CC(F)(F)F ZINC000685416342 1033306516 /nfs/dbraw/zinc/30/65/16/1033306516.db2.gz KQVYHFVTGMHPNM-ZWNOBZJWSA-N 1 2 347.768 3.667 20 0 EHADLO Cc1cc(C(N)=[NH+]OCc2cc(-c3ccccc3)no2)ccc1F ZINC000063457615 1033358721 /nfs/dbraw/zinc/35/87/21/1033358721.db2.gz SVEGTCUGUNTVNK-UHFFFAOYSA-N 1 2 325.343 3.626 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2ncc(C(C)C)o2)c1C(=O)OC ZINC000842050247 1033392152 /nfs/dbraw/zinc/39/21/52/1033392152.db2.gz SFLIIVOTPOMHNE-UHFFFAOYSA-N 1 2 332.400 3.820 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594509948 1033415065 /nfs/dbraw/zinc/41/50/65/1033415065.db2.gz ZGLMZUSPVOLVFJ-KRWDZBQOSA-N 1 2 326.396 3.504 20 0 EHADLO FC(F)(F)Sc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000898278516 1033424904 /nfs/dbraw/zinc/42/49/04/1033424904.db2.gz IUCQAYZXIDMHQY-UHFFFAOYSA-N 1 2 342.390 3.905 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000669673202 1033458600 /nfs/dbraw/zinc/45/86/00/1033458600.db2.gz QBIPICQWJBXYQQ-DOTOQJQBSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472337200 1033473000 /nfs/dbraw/zinc/47/30/00/1033473000.db2.gz PBHWRXUALMCVEH-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472337200 1033473007 /nfs/dbraw/zinc/47/30/07/1033473007.db2.gz PBHWRXUALMCVEH-DNVCBOLYSA-N 1 2 347.455 3.683 20 0 EHADLO Cn1c(C[N@H+](C)Cc2ccc(OC(F)F)c(F)c2)nc2ccccc21 ZINC000093363889 1033475453 /nfs/dbraw/zinc/47/54/53/1033475453.db2.gz VALJZKWWRTYZPX-UHFFFAOYSA-N 1 2 349.356 3.946 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)nc2ccccc21 ZINC000093363889 1033475464 /nfs/dbraw/zinc/47/54/64/1033475464.db2.gz VALJZKWWRTYZPX-UHFFFAOYSA-N 1 2 349.356 3.946 20 0 EHADLO C[C@@]1(c2ccccc2)C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000608089494 1033486004 /nfs/dbraw/zinc/48/60/04/1033486004.db2.gz VCZCYCUVWJDGOZ-RXVVDRJESA-N 1 2 341.418 3.958 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000608089492 1033486706 /nfs/dbraw/zinc/48/67/06/1033486706.db2.gz VCZCYCUVWJDGOZ-GHTZIAJQSA-N 1 2 341.418 3.958 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000449994889 1033570962 /nfs/dbraw/zinc/57/09/62/1033570962.db2.gz JLKMAMXVVNRWAR-RTBURBONSA-N 1 2 343.515 3.829 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)c1ccco1 ZINC000608247028 1033572473 /nfs/dbraw/zinc/57/24/73/1033572473.db2.gz HSFBZTFEKLJMSN-INIZCTEOSA-N 1 2 341.455 3.543 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000608326425 1033601968 /nfs/dbraw/zinc/60/19/68/1033601968.db2.gz HYJYRYVQQPTKGR-QGZVFWFLSA-N 1 2 342.443 3.848 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2[nH]ncc2C)c2ccc(F)cc2)cc1 ZINC000685614250 1033618585 /nfs/dbraw/zinc/61/85/85/1033618585.db2.gz ZNUZIHFPISGOMK-LJQANCHMSA-N 1 2 325.387 3.745 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2n[nH]cc2C)c2ccc(F)cc2)cc1 ZINC000685614250 1033618595 /nfs/dbraw/zinc/61/85/95/1033618595.db2.gz ZNUZIHFPISGOMK-LJQANCHMSA-N 1 2 325.387 3.745 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCCC1CCCC1)c1ccccc1 ZINC000608396228 1033647723 /nfs/dbraw/zinc/64/77/23/1033647723.db2.gz KTNUHGDPVXWYBR-SFHVURJKSA-N 1 2 340.471 3.583 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000450060687 1033654049 /nfs/dbraw/zinc/65/40/49/1033654049.db2.gz JRVGPSUWZNORPJ-UHFFFAOYSA-N 1 2 341.455 3.997 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000450060687 1033654056 /nfs/dbraw/zinc/65/40/56/1033654056.db2.gz JRVGPSUWZNORPJ-UHFFFAOYSA-N 1 2 341.455 3.997 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)F)nc2)s1 ZINC000595045035 1033662610 /nfs/dbraw/zinc/66/26/10/1033662610.db2.gz QIQDOHRFFLIUSG-DTWKUNHWSA-N 1 2 341.383 3.674 20 0 EHADLO C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000608388392 1033666355 /nfs/dbraw/zinc/66/63/55/1033666355.db2.gz JDWPHCOLSYOQON-LPHOPBHVSA-N 1 2 348.450 3.764 20 0 EHADLO Cc1cccc(CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608392736 1033670808 /nfs/dbraw/zinc/67/08/08/1033670808.db2.gz YDGPWGWPOHOHAY-IBGZPJMESA-N 1 2 348.450 3.512 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)on1 ZINC000574895646 1033675516 /nfs/dbraw/zinc/67/55/16/1033675516.db2.gz OTLAVAWCMNYUBQ-UHFFFAOYSA-N 1 2 341.436 3.867 20 0 EHADLO C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC000685652018 1033676314 /nfs/dbraw/zinc/67/63/14/1033676314.db2.gz NNWYYQCJCRBNSL-CQSZACIVSA-N 1 2 346.394 3.784 20 0 EHADLO O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000685651204 1033678134 /nfs/dbraw/zinc/67/81/34/1033678134.db2.gz PVOOXGUHDABHOX-UHFFFAOYSA-N 1 2 348.328 3.717 20 0 EHADLO CCCN(Cc1ccccc1F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651567 1033680440 /nfs/dbraw/zinc/68/04/40/1033680440.db2.gz HERWXKDGPRGPEH-UHFFFAOYSA-N 1 2 326.375 3.918 20 0 EHADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1ccn2cc[nH+]c2c1 ZINC000685651601 1033681907 /nfs/dbraw/zinc/68/19/07/1033681907.db2.gz KODDLQPCJKOTDL-UHFFFAOYSA-N 1 2 342.309 3.723 20 0 EHADLO c1c(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)nc2ccccn12 ZINC000371579119 1033683166 /nfs/dbraw/zinc/68/31/66/1033683166.db2.gz ICHFSTNTMZKZPP-GOSISDBHSA-N 1 2 335.455 3.813 20 0 EHADLO C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000608433715 1033686737 /nfs/dbraw/zinc/68/67/37/1033686737.db2.gz FWRUWEFDFXUHLD-CRAIPNDOSA-N 1 2 340.471 3.582 20 0 EHADLO CCC(CC)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000608477016 1033705374 /nfs/dbraw/zinc/70/53/74/1033705374.db2.gz OEHLBKKAGADCEG-SFHVURJKSA-N 1 2 325.456 3.805 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@H]4C[C@@H]43)n2)c(C)c1 ZINC000761101564 1033710837 /nfs/dbraw/zinc/71/08/37/1033710837.db2.gz XROKATNVHSKVDK-ZBFHGGJFSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@H]4C[C@@H]43)n2)c(C)c1 ZINC000761101564 1033710853 /nfs/dbraw/zinc/71/08/53/1033710853.db2.gz XROKATNVHSKVDK-ZBFHGGJFSA-N 1 2 341.480 3.768 20 0 EHADLO Cc1cc(F)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000529257153 1033713994 /nfs/dbraw/zinc/71/39/94/1033713994.db2.gz SBAOJFJRVSKCLN-CYBMUJFWSA-N 1 2 349.793 3.868 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1sccc1Br ZINC000046105582 1033729624 /nfs/dbraw/zinc/72/96/24/1033729624.db2.gz VSZGSPRCXJMHLG-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO FC(F)(F)Cc1noc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)n1 ZINC000608501748 1033732185 /nfs/dbraw/zinc/73/21/85/1033732185.db2.gz WSQAFPUMQPZJJK-LLVKDONJSA-N 1 2 329.322 3.885 20 0 EHADLO FC(F)(F)Cc1noc(C[N@H+]2CCCCC[C@@H]2c2ccco2)n1 ZINC000608501748 1033732201 /nfs/dbraw/zinc/73/22/01/1033732201.db2.gz WSQAFPUMQPZJJK-LLVKDONJSA-N 1 2 329.322 3.885 20 0 EHADLO Cc1oc(C)c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000608553399 1033757472 /nfs/dbraw/zinc/75/74/72/1033757472.db2.gz DERZICKKDZGRSU-KRWDZBQOSA-N 1 2 337.423 3.652 20 0 EHADLO CCc1c2ccccc2oc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450110955 1033761784 /nfs/dbraw/zinc/76/17/84/1033761784.db2.gz GJGGDPQGVWCDKY-OAHLLOKOSA-N 1 2 336.391 3.684 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](OC)C2CCCCC2)n1 ZINC000595351594 1033777042 /nfs/dbraw/zinc/77/70/42/1033777042.db2.gz MDVVDTVLFLGAQM-UKRRQHHQSA-N 1 2 341.521 3.911 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](OC)C2CCCCC2)n1 ZINC000595351594 1033777057 /nfs/dbraw/zinc/77/70/57/1033777057.db2.gz MDVVDTVLFLGAQM-UKRRQHHQSA-N 1 2 341.521 3.911 20 0 EHADLO Cc1ccc(-c2noc(Cc3c[nH+]cn3C)n2)c(OC2CCCC2)c1 ZINC000685683953 1033779132 /nfs/dbraw/zinc/77/91/32/1033779132.db2.gz JYDRQTIEPWWIGJ-UHFFFAOYSA-N 1 2 338.411 3.691 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]([C@@H](C)c3ccco3)C3CC3)nc2c1 ZINC000595381610 1033782834 /nfs/dbraw/zinc/78/28/34/1033782834.db2.gz WZDPTJMABCNJMC-LBPRGKRZSA-N 1 2 339.395 3.668 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]([C@@H](C)c3ccco3)C3CC3)nc2c1 ZINC000595381610 1033782845 /nfs/dbraw/zinc/78/28/45/1033782845.db2.gz WZDPTJMABCNJMC-LBPRGKRZSA-N 1 2 339.395 3.668 20 0 EHADLO O=C(Cc1cc2ccccc2s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450165808 1033835799 /nfs/dbraw/zinc/83/57/99/1033835799.db2.gz ZSBZYWDQUHJMAI-MRXNPFEDSA-N 1 2 338.432 3.519 20 0 EHADLO O=C(CSc1ccccc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120458379 1033842300 /nfs/dbraw/zinc/84/23/00/1033842300.db2.gz QWUFUGGQQNETHX-AWEZNQCLSA-N 1 2 348.855 3.507 20 0 EHADLO Cc1cc(C)cc(OCCC[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608751365 1033860973 /nfs/dbraw/zinc/86/09/73/1033860973.db2.gz ZFNISIGJDYPZRB-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608751365 1033860984 /nfs/dbraw/zinc/86/09/84/1033860984.db2.gz ZFNISIGJDYPZRB-ZBFHGGJFSA-N 1 2 331.378 3.724 20 0 EHADLO CC[N@@H+](Cc1nc(CCC(C)C)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000174278205 1033889384 /nfs/dbraw/zinc/88/93/84/1033889384.db2.gz FRCBEHNFSJTGGB-QGZVFWFLSA-N 1 2 331.460 3.522 20 0 EHADLO CC[N@H+](Cc1nc(CCC(C)C)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000174278205 1033889397 /nfs/dbraw/zinc/88/93/97/1033889397.db2.gz FRCBEHNFSJTGGB-QGZVFWFLSA-N 1 2 331.460 3.522 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000450212701 1033906739 /nfs/dbraw/zinc/90/67/39/1033906739.db2.gz FFSHPGSVOYOJRV-INIZCTEOSA-N 1 2 335.494 3.879 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000450212701 1033906748 /nfs/dbraw/zinc/90/67/48/1033906748.db2.gz FFSHPGSVOYOJRV-INIZCTEOSA-N 1 2 335.494 3.879 20 0 EHADLO CC(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000450225951 1033908234 /nfs/dbraw/zinc/90/82/34/1033908234.db2.gz IRZXFBQDNRXLCY-UHFFFAOYSA-N 1 2 340.442 3.736 20 0 EHADLO CC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000450225951 1033908251 /nfs/dbraw/zinc/90/82/51/1033908251.db2.gz IRZXFBQDNRXLCY-UHFFFAOYSA-N 1 2 340.442 3.736 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000658096268 1033927387 /nfs/dbraw/zinc/92/73/87/1033927387.db2.gz BWGSTLKAZQSREB-IJEWVQPXSA-N 1 2 344.459 3.822 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450225539 1033935596 /nfs/dbraw/zinc/93/55/96/1033935596.db2.gz GVKJYJIHMCPKNG-HNNXBMFYSA-N 1 2 327.325 3.922 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450225539 1033935606 /nfs/dbraw/zinc/93/56/06/1033935606.db2.gz GVKJYJIHMCPKNG-HNNXBMFYSA-N 1 2 327.325 3.922 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](c2ccccc2F)C(C)C)n1 ZINC000595686752 1033947009 /nfs/dbraw/zinc/94/70/09/1033947009.db2.gz BESJPTAERZBYLC-MRXNPFEDSA-N 1 2 336.432 3.946 20 0 EHADLO Cc1c([C@H](C)Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)cnn1C ZINC000450239304 1033962238 /nfs/dbraw/zinc/96/22/38/1033962238.db2.gz DIPIEXYUVJLENT-JTQLQIEISA-N 1 2 334.345 3.891 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cs1 ZINC000603846683 1033970443 /nfs/dbraw/zinc/97/04/43/1033970443.db2.gz KQMPSYAUTYHWLW-MRXNPFEDSA-N 1 2 330.453 3.829 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cs1 ZINC000603846683 1033970456 /nfs/dbraw/zinc/97/04/56/1033970456.db2.gz KQMPSYAUTYHWLW-MRXNPFEDSA-N 1 2 330.453 3.829 20 0 EHADLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000117542011 1033976449 /nfs/dbraw/zinc/97/64/49/1033976449.db2.gz WDPHRZSKTFIORO-KRWDZBQOSA-N 1 2 348.450 3.928 20 0 EHADLO COc1cccc(OC)c1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000658120233 1033979171 /nfs/dbraw/zinc/97/91/71/1033979171.db2.gz TVXKTWRNJVKRPZ-GOSISDBHSA-N 1 2 329.444 3.838 20 0 EHADLO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc2n(n1)CCCC2 ZINC000658123156 1033982109 /nfs/dbraw/zinc/98/21/09/1033982109.db2.gz IKRBXGYJOYCQQB-MLGOLLRUSA-N 1 2 345.409 3.760 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000450248239 1033988506 /nfs/dbraw/zinc/98/85/06/1033988506.db2.gz WKBGEVMLHUKWSG-ZDUSSCGKSA-N 1 2 334.851 3.730 20 0 EHADLO Fc1cccc(C[N@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)c1 ZINC000450272087 1033994542 /nfs/dbraw/zinc/99/45/42/1033994542.db2.gz VRHMODAYPMMLNX-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO Fc1cccc(C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)c1 ZINC000450272087 1033994558 /nfs/dbraw/zinc/99/45/58/1033994558.db2.gz VRHMODAYPMMLNX-UHFFFAOYSA-N 1 2 327.325 3.749 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](CCCCC(F)(F)F)CC2 ZINC000599548696 1034004046 /nfs/dbraw/zinc/00/40/46/1034004046.db2.gz BUGSWOTYFJZQSM-UHFFFAOYSA-N 1 2 333.325 3.703 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](CCCCC(F)(F)F)CC2 ZINC000599548696 1034004034 /nfs/dbraw/zinc/00/40/34/1034004034.db2.gz BUGSWOTYFJZQSM-UHFFFAOYSA-N 1 2 333.325 3.703 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000603882355 1034007033 /nfs/dbraw/zinc/00/70/33/1034007033.db2.gz RRXAOTIQNWNEKA-UHFFFAOYSA-N 1 2 328.734 3.860 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-c2ccccc2Cl)on1 ZINC000603884557 1034008457 /nfs/dbraw/zinc/00/84/57/1034008457.db2.gz INROPDYANIHHQU-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO CCCN(CCC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869257 1034032855 /nfs/dbraw/zinc/03/28/55/1034032855.db2.gz IGCDEEGDJUBAFS-QGZVFWFLSA-N 1 2 328.460 3.536 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cn2ccccc2n1 ZINC000658172119 1034037818 /nfs/dbraw/zinc/03/78/18/1034037818.db2.gz QFKSEXLTGOZHFW-ZDUSSCGKSA-N 1 2 325.387 3.865 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000171082343 1034054511 /nfs/dbraw/zinc/05/45/11/1034054511.db2.gz WQFGITGBQVHJDJ-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000171082343 1034054527 /nfs/dbraw/zinc/05/45/27/1034054527.db2.gz WQFGITGBQVHJDJ-AWEZNQCLSA-N 1 2 339.867 3.566 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000603957269 1034089187 /nfs/dbraw/zinc/08/91/87/1034089187.db2.gz FJSUMAQTXGITIY-NRFANRHFSA-N 1 2 339.483 3.534 20 0 EHADLO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000534081654 1034092878 /nfs/dbraw/zinc/09/28/78/1034092878.db2.gz DKDIYLNYJKXFJW-AWEZNQCLSA-N 1 2 326.396 3.520 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)CCCC(C)C ZINC000119139147 1034100721 /nfs/dbraw/zinc/10/07/21/1034100721.db2.gz SVIDMXKXHPMPML-OAHLLOKOSA-N 1 2 348.491 3.563 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000596184807 1034102079 /nfs/dbraw/zinc/10/20/79/1034102079.db2.gz JLGRWMRLADYKKA-HNNXBMFYSA-N 1 2 346.814 3.776 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000596186654 1034102747 /nfs/dbraw/zinc/10/27/47/1034102747.db2.gz LOSDGWFNVFTGCS-MRXNPFEDSA-N 1 2 342.414 3.710 20 0 EHADLO COC(=O)[C@@H]1C[N@H+](Cc2nsc3ccccc23)Cc2ccccc21 ZINC000599680515 1034109915 /nfs/dbraw/zinc/10/99/15/1034109915.db2.gz MVPFJDBGNZFFGB-MRXNPFEDSA-N 1 2 338.432 3.569 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+](Cc2nsc3ccccc23)Cc2ccccc21 ZINC000599680515 1034109917 /nfs/dbraw/zinc/10/99/17/1034109917.db2.gz MVPFJDBGNZFFGB-MRXNPFEDSA-N 1 2 338.432 3.569 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000612115654 1034113539 /nfs/dbraw/zinc/11/35/39/1034113539.db2.gz MHUZGFPOKSHPKS-COTUQKQKSA-N 1 2 349.478 3.930 20 0 EHADLO Cc1ccc(Cc2nc(C(=O)Nc3cc(C)[nH+]cc3C)cs2)cc1 ZINC000537614583 1034150574 /nfs/dbraw/zinc/15/05/74/1034150574.db2.gz ZUSWJAMKGJMSNL-UHFFFAOYSA-N 1 2 337.448 3.728 20 0 EHADLO Cc1ccc2ncc(C[N@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)n2c1 ZINC000537615883 1034159239 /nfs/dbraw/zinc/15/92/39/1034159239.db2.gz FHVFBGGJWJTUGC-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1ccc2ncc(C[N@@H+]3C[C@@H](c4ccccc4C)OC[C@H]3C)n2c1 ZINC000537615883 1034159245 /nfs/dbraw/zinc/15/92/45/1034159245.db2.gz FHVFBGGJWJTUGC-XLIONFOSSA-N 1 2 335.451 3.913 20 0 EHADLO c1coc(-c2nc(CN3CCC(Nc4cccc[nH+]4)CC3)cs2)c1 ZINC000534129201 1034170122 /nfs/dbraw/zinc/17/01/22/1034170122.db2.gz UIAWECHNXAKRDD-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO c1coc(-c2nc(C[NH+]3CCC(Nc4ccccn4)CC3)cs2)c1 ZINC000534129201 1034170127 /nfs/dbraw/zinc/17/01/27/1034170127.db2.gz UIAWECHNXAKRDD-UHFFFAOYSA-N 1 2 340.452 3.875 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119516872 1034177341 /nfs/dbraw/zinc/17/73/41/1034177341.db2.gz IEINFJFMINSNKN-FUHWJXTLSA-N 1 2 339.483 3.567 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119516978 1034177439 /nfs/dbraw/zinc/17/74/39/1034177439.db2.gz IEINFJFMINSNKN-AEFFLSMTSA-N 1 2 339.483 3.567 20 0 EHADLO FC(F)Oc1ccccc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389915303 1034183168 /nfs/dbraw/zinc/18/31/68/1034183168.db2.gz MOCZIMAHXYOZBQ-UHFFFAOYSA-N 1 2 343.377 3.823 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529554502 1034186190 /nfs/dbraw/zinc/18/61/90/1034186190.db2.gz CADYXLANSVOAQU-OCCSQVGLSA-N 1 2 335.391 3.537 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000529554502 1034186203 /nfs/dbraw/zinc/18/62/03/1034186203.db2.gz CADYXLANSVOAQU-OCCSQVGLSA-N 1 2 335.391 3.537 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)c(Br)c1 ZINC000658335787 1034209381 /nfs/dbraw/zinc/20/93/81/1034209381.db2.gz GNMZSWJWPOHBEN-GHMZBOCLSA-N 1 2 338.249 3.603 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1 ZINC000088631507 1034213289 /nfs/dbraw/zinc/21/32/89/1034213289.db2.gz FIBMWBNQPBSVGP-UHFFFAOYSA-N 1 2 332.492 3.836 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000119680199 1034222188 /nfs/dbraw/zinc/22/21/88/1034222188.db2.gz VRQJVVHOCQVBRI-KZULUSFZSA-N 1 2 342.370 3.607 20 0 EHADLO Cc1ccccc1OCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000599890076 1034233706 /nfs/dbraw/zinc/23/37/06/1034233706.db2.gz MOFJJEJKJMISFP-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO Cc1ccccc1OCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000599890076 1034233721 /nfs/dbraw/zinc/23/37/21/1034233721.db2.gz MOFJJEJKJMISFP-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1F ZINC000596591191 1034308272 /nfs/dbraw/zinc/30/82/72/1034308272.db2.gz HTEGGAPOVRQSNT-KRWDZBQOSA-N 1 2 328.387 3.590 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1F ZINC000596591191 1034308283 /nfs/dbraw/zinc/30/82/83/1034308283.db2.gz HTEGGAPOVRQSNT-KRWDZBQOSA-N 1 2 328.387 3.590 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1CC(c2cccc(F)c2)C1 ZINC000604300099 1034317029 /nfs/dbraw/zinc/31/70/29/1034317029.db2.gz UPYOFYBWCFAUAC-UHFFFAOYSA-N 1 2 349.409 3.821 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614311 1034323724 /nfs/dbraw/zinc/32/37/24/1034323724.db2.gz VQYKIAYLTLMADR-HOCLYGCPSA-N 1 2 347.484 3.675 20 0 EHADLO CCCSCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596614311 1034323733 /nfs/dbraw/zinc/32/37/33/1034323733.db2.gz VQYKIAYLTLMADR-HOCLYGCPSA-N 1 2 347.484 3.675 20 0 EHADLO CC(C)(O)CCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450452775 1034357314 /nfs/dbraw/zinc/35/73/14/1034357314.db2.gz IDOBCFHUYMEWTL-UHFFFAOYSA-N 1 2 327.197 3.709 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c[nH+]1 ZINC000534299645 1034359729 /nfs/dbraw/zinc/35/97/29/1034359729.db2.gz CCTRFUMWEVMDOJ-LLVKDONJSA-N 1 2 339.222 3.833 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121070606 1034369769 /nfs/dbraw/zinc/36/97/69/1034369769.db2.gz SPSYCTLZGYLSKK-BHYGNILZSA-N 1 2 342.826 3.518 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2csc(C(C)C)n2)[nH+]1 ZINC000171419910 1034392715 /nfs/dbraw/zinc/39/27/15/1034392715.db2.gz WXDBUHMYJCBITM-UHFFFAOYSA-N 1 2 348.468 3.776 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Cl)c1 ZINC000529695931 1034443322 /nfs/dbraw/zinc/44/33/22/1034443322.db2.gz IIWDGRRJTAZOEE-ZDUSSCGKSA-N 1 2 349.837 3.927 20 0 EHADLO C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000604663239 1034446881 /nfs/dbraw/zinc/44/68/81/1034446881.db2.gz RHSUSGMNUVREIF-FUHWJXTLSA-N 1 2 332.492 3.979 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000604663240 1034447091 /nfs/dbraw/zinc/44/70/91/1034447091.db2.gz RHSUSGMNUVREIF-SJLPKXTDSA-N 1 2 332.492 3.979 20 0 EHADLO CC1CCC(N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000604670296 1034448515 /nfs/dbraw/zinc/44/85/15/1034448515.db2.gz FTFGNGJRJNDIOH-UHFFFAOYSA-N 1 2 326.444 3.592 20 0 EHADLO COc1cc2c(cc1C[NH2+]C(C)(C)c1nc(C)cs1)O[C@@H](C)C2 ZINC000604771519 1034485898 /nfs/dbraw/zinc/48/58/98/1034485898.db2.gz DUSKQBNWVKCULB-LBPRGKRZSA-N 1 2 332.469 3.808 20 0 EHADLO Cc1cc(N[C@H]2C[C@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604757354 1034500927 /nfs/dbraw/zinc/50/09/27/1034500927.db2.gz BQPAITXMOZYDSG-GJZGRUSLSA-N 1 2 344.256 3.815 20 0 EHADLO COC(=O)c1oc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1C ZINC000597117504 1034548139 /nfs/dbraw/zinc/54/81/39/1034548139.db2.gz UHJFDXXKHKTNMF-UHFFFAOYSA-N 1 2 329.730 3.596 20 0 EHADLO CCCCn1c(SCC2(OC)CCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000450588265 1034550049 /nfs/dbraw/zinc/55/00/49/1034550049.db2.gz FJFSENYBHSTXBX-CQSZACIVSA-N 1 2 340.537 3.752 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(Cc2ccccc2)CCC1 ZINC000121202446 1034552393 /nfs/dbraw/zinc/55/23/93/1034552393.db2.gz WROVDMJFSGVTPS-UHFFFAOYSA-N 1 2 349.478 3.580 20 0 EHADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605686 1034559871 /nfs/dbraw/zinc/55/98/71/1034559871.db2.gz ATBVMJVIPTXBIC-MNOVXSKESA-N 1 2 332.404 3.759 20 0 EHADLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000450605686 1034559877 /nfs/dbraw/zinc/55/98/77/1034559877.db2.gz ATBVMJVIPTXBIC-MNOVXSKESA-N 1 2 332.404 3.759 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000450641552 1034607276 /nfs/dbraw/zinc/60/72/76/1034607276.db2.gz HOSDNRFRECBQFY-UKRRQHHQSA-N 1 2 342.455 3.779 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000413612396 1034614498 /nfs/dbraw/zinc/61/44/98/1034614498.db2.gz DTUPXTKSPQSBMV-QZTJIDSGSA-N 1 2 346.519 3.693 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)n1 ZINC000605155234 1034653771 /nfs/dbraw/zinc/65/37/71/1034653771.db2.gz LVERNSGNIMWWDT-INIZCTEOSA-N 1 2 331.485 3.948 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCS[C@H](c3ccccc3)C2)n1 ZINC000605155234 1034653777 /nfs/dbraw/zinc/65/37/77/1034653777.db2.gz LVERNSGNIMWWDT-INIZCTEOSA-N 1 2 331.485 3.948 20 0 EHADLO COC(=O)c1coc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000450687502 1034691759 /nfs/dbraw/zinc/69/17/59/1034691759.db2.gz ZGTXPVKYJUVIQA-QGZVFWFLSA-N 1 2 332.375 3.621 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+][C@H](c3ccccc3C)C3CC3)no2)c1 ZINC000450691530 1034696541 /nfs/dbraw/zinc/69/65/41/1034696541.db2.gz YNUAOHRJPAKKKS-IBGZPJMESA-N 1 2 334.423 3.989 20 0 EHADLO CCc1ccc([C@H](CO)[NH2+]Cc2ccn(CCc3ccccc3)n2)cc1 ZINC000450712530 1034725617 /nfs/dbraw/zinc/72/56/17/1034725617.db2.gz RAGZAUWJEZMHTC-QFIPXVFZSA-N 1 2 349.478 3.511 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605392557 1034726717 /nfs/dbraw/zinc/72/67/17/1034726717.db2.gz XFHASWPJJHHMBZ-UHFFFAOYSA-N 1 2 327.359 3.507 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3occc3s2)[C@H](c2ccccc2)C1 ZINC000605453866 1034740630 /nfs/dbraw/zinc/74/06/30/1034740630.db2.gz SXCMFIGPNGHHDL-AWEZNQCLSA-N 1 2 326.421 3.623 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3occc3s2)[C@H](c2ccccc2)C1 ZINC000605453866 1034740645 /nfs/dbraw/zinc/74/06/45/1034740645.db2.gz SXCMFIGPNGHHDL-AWEZNQCLSA-N 1 2 326.421 3.623 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCc4cc(Cl)ccc43)[nH+]c12 ZINC000529918967 1034752471 /nfs/dbraw/zinc/75/24/71/1034752471.db2.gz ZJFIPSYARNAKRF-KRWDZBQOSA-N 1 2 339.826 3.642 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)c[nH+]1 ZINC000456830969 1034775336 /nfs/dbraw/zinc/77/53/36/1034775336.db2.gz RTINPZSEPXQHQI-UHFFFAOYSA-N 1 2 328.843 3.991 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccoc1C1CC1 ZINC000282029105 1034789391 /nfs/dbraw/zinc/78/93/91/1034789391.db2.gz YCZHKFGUOUTWTL-UHFFFAOYSA-N 1 2 337.379 3.685 20 0 EHADLO Fc1ccccc1C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000605577543 1034789539 /nfs/dbraw/zinc/78/95/39/1034789539.db2.gz VWLBUURGDSPGCG-UHFFFAOYSA-N 1 2 336.414 3.786 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000456842316 1034790285 /nfs/dbraw/zinc/79/02/85/1034790285.db2.gz GHDLRWJAWJVLJA-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO COc1ccc(C2(C(=O)NCc3c[nH+]c(C)cc3C)CCCC2)cc1 ZINC000456857860 1034815164 /nfs/dbraw/zinc/81/51/64/1034815164.db2.gz KWUFPURIGBCADR-UHFFFAOYSA-N 1 2 338.451 3.835 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000450810496 1034819489 /nfs/dbraw/zinc/81/94/89/1034819489.db2.gz KQWIFMFGOZQSSY-OWCLPIDISA-N 1 2 326.440 3.539 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255865686 1034923828 /nfs/dbraw/zinc/92/38/28/1034923828.db2.gz UNDNXOAZGSOATC-XRPLYRAWSA-N 1 2 341.426 3.663 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255865686 1034923832 /nfs/dbraw/zinc/92/38/32/1034923832.db2.gz UNDNXOAZGSOATC-XRPLYRAWSA-N 1 2 341.426 3.663 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)O1 ZINC000450913863 1034941455 /nfs/dbraw/zinc/94/14/55/1034941455.db2.gz ZWYVKTCCLANSIW-QGZVFWFLSA-N 1 2 335.407 3.744 20 0 EHADLO O=C1N=NC([C@@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)O1 ZINC000450913863 1034941466 /nfs/dbraw/zinc/94/14/66/1034941466.db2.gz ZWYVKTCCLANSIW-QGZVFWFLSA-N 1 2 335.407 3.744 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)o1 ZINC000450913863 1034941474 /nfs/dbraw/zinc/94/14/74/1034941474.db2.gz ZWYVKTCCLANSIW-QGZVFWFLSA-N 1 2 335.407 3.744 20 0 EHADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)o1 ZINC000450913863 1034941485 /nfs/dbraw/zinc/94/14/85/1034941485.db2.gz ZWYVKTCCLANSIW-QGZVFWFLSA-N 1 2 335.407 3.744 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC000450927379 1034952220 /nfs/dbraw/zinc/95/22/20/1034952220.db2.gz CMAQEBKEBFQEPT-ZDUSSCGKSA-N 1 2 336.892 3.773 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC000450927379 1034952227 /nfs/dbraw/zinc/95/22/27/1034952227.db2.gz CMAQEBKEBFQEPT-ZDUSSCGKSA-N 1 2 336.892 3.773 20 0 EHADLO Fc1ccccc1[C@H](F)C1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450970187 1034995448 /nfs/dbraw/zinc/99/54/48/1034995448.db2.gz DBEUHGGBEAQYTG-LJQANCHMSA-N 1 2 346.425 3.750 20 0 EHADLO Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)nc(C(C)C)[nH+]1 ZINC000570301692 1035185147 /nfs/dbraw/zinc/18/51/47/1035185147.db2.gz DDRQHWQSEKKMTE-CEXWTWQISA-N 1 2 337.467 3.917 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000685801497 1035201764 /nfs/dbraw/zinc/20/17/64/1035201764.db2.gz AXEIGYUTLBUPBL-HXUWFJFHSA-N 1 2 348.446 3.512 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000685801497 1035201770 /nfs/dbraw/zinc/20/17/70/1035201770.db2.gz AXEIGYUTLBUPBL-HXUWFJFHSA-N 1 2 348.446 3.512 20 0 EHADLO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000545275501 1035304804 /nfs/dbraw/zinc/30/48/04/1035304804.db2.gz KEDCHOPSICSFDY-QGZVFWFLSA-N 1 2 337.398 3.863 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(C)(C)C[C@H]3C)cn2c1 ZINC000413980317 1035312910 /nfs/dbraw/zinc/31/29/10/1035312910.db2.gz YAEPNNDGTSBBPJ-CQSZACIVSA-N 1 2 331.485 3.523 20 0 EHADLO CSc1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000685833715 1035365338 /nfs/dbraw/zinc/36/53/38/1035365338.db2.gz IHKOGZFXQNTIES-UHFFFAOYSA-N 1 2 326.531 3.693 20 0 EHADLO CSc1ccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)s1 ZINC000685833715 1035365341 /nfs/dbraw/zinc/36/53/41/1035365341.db2.gz IHKOGZFXQNTIES-UHFFFAOYSA-N 1 2 326.531 3.693 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCC=C2 ZINC000431732650 1035386756 /nfs/dbraw/zinc/38/67/56/1035386756.db2.gz FQUISGVJBJSVNS-UHFFFAOYSA-N 1 2 329.403 3.762 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000613108868 1035403178 /nfs/dbraw/zinc/40/31/78/1035403178.db2.gz YDYODPJDSHUBPQ-IUODEOHRSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000613108868 1035403180 /nfs/dbraw/zinc/40/31/80/1035403180.db2.gz YDYODPJDSHUBPQ-IUODEOHRSA-N 1 2 338.835 3.716 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755894057 1035434394 /nfs/dbraw/zinc/43/43/94/1035434394.db2.gz DYHMLAMYGDWGFJ-MRXNPFEDSA-N 1 2 330.453 3.762 20 0 EHADLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCCC(F)(F)C1 ZINC000492225580 1035513484 /nfs/dbraw/zinc/51/34/84/1035513484.db2.gz JILDGQWUMQFNGN-PXTSUWAFSA-N 1 2 331.366 3.580 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000463455646 1035521380 /nfs/dbraw/zinc/52/13/80/1035521380.db2.gz PTDZJAPAHBURIV-TUAOUCFPSA-N 1 2 335.370 3.720 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000463455646 1035521393 /nfs/dbraw/zinc/52/13/93/1035521393.db2.gz PTDZJAPAHBURIV-TUAOUCFPSA-N 1 2 335.370 3.720 20 0 EHADLO CC(C)n1ccnc1CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173649115 1035550918 /nfs/dbraw/zinc/55/09/18/1035550918.db2.gz QGCIKHWQIYSPOA-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492273802 1035571292 /nfs/dbraw/zinc/57/12/92/1035571292.db2.gz UERVYRDQYZVOIW-MRXNPFEDSA-N 1 2 329.448 3.807 20 0 EHADLO Clc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000540700265 1035601676 /nfs/dbraw/zinc/60/16/76/1035601676.db2.gz XMKYWOHFBXEVJW-KRWDZBQOSA-N 1 2 329.831 3.671 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)C2 ZINC000456986859 1035603949 /nfs/dbraw/zinc/60/39/49/1035603949.db2.gz PIWWKYISSONMJA-FTYRPJQDSA-N 1 2 341.499 3.533 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)CC2 ZINC000456986859 1035603957 /nfs/dbraw/zinc/60/39/57/1035603957.db2.gz PIWWKYISSONMJA-FTYRPJQDSA-N 1 2 341.499 3.533 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186201206 1035606381 /nfs/dbraw/zinc/60/63/81/1035606381.db2.gz CIEQWVOUKJXEGB-AWEZNQCLSA-N 1 2 332.407 3.740 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186201206 1035606387 /nfs/dbraw/zinc/60/63/87/1035606387.db2.gz CIEQWVOUKJXEGB-AWEZNQCLSA-N 1 2 332.407 3.740 20 0 EHADLO COc1cc(C)[nH+]c(CS[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000540725331 1035631233 /nfs/dbraw/zinc/63/12/33/1035631233.db2.gz VSWACIILDWARQL-CQSZACIVSA-N 1 2 340.452 3.974 20 0 EHADLO COCCn1cc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)cn1 ZINC000414125657 1035642211 /nfs/dbraw/zinc/64/22/11/1035642211.db2.gz DOZNUQUVFMKIFX-CQSZACIVSA-N 1 2 342.468 3.504 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414130360 1035681394 /nfs/dbraw/zinc/68/13/94/1035681394.db2.gz JKRUKLXSVPMLCN-WDEREUQCSA-N 1 2 338.249 3.603 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457116614 1035729484 /nfs/dbraw/zinc/72/94/84/1035729484.db2.gz KASHCUDLVZIPEE-NVXWUHKLSA-N 1 2 331.847 3.769 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2noc(-c3ccccc3C)n2)c(C)[nH+]1 ZINC000187170316 1035781164 /nfs/dbraw/zinc/78/11/64/1035781164.db2.gz XWBMSJDEYAGNNT-DEOSSOPVSA-N 1 2 341.436 3.506 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)n1 ZINC000187354404 1035796574 /nfs/dbraw/zinc/79/65/74/1035796574.db2.gz OTINPPUKJNZUTD-GOSISDBHSA-N 1 2 348.393 3.873 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)n1 ZINC000187354404 1035796593 /nfs/dbraw/zinc/79/65/93/1035796593.db2.gz OTINPPUKJNZUTD-GOSISDBHSA-N 1 2 348.393 3.873 20 0 EHADLO C[C@H]([NH2+]CCN1CCC2(CCCCC2)CC1)c1cc2n(n1)CCC2 ZINC000414152629 1035799532 /nfs/dbraw/zinc/79/95/32/1035799532.db2.gz QOWBXXVLHRYDPI-KRWDZBQOSA-N 1 2 330.520 3.526 20 0 EHADLO Cc1ccc(C[S@](=O)CC(=O)Nc2ccccc2C(C)C)c(C)[nH+]1 ZINC000187234269 1035800354 /nfs/dbraw/zinc/80/03/54/1035800354.db2.gz TXIWBZALZJNHKF-DEOSSOPVSA-N 1 2 344.480 3.709 20 0 EHADLO Cc1nnc(CNc2cc[nH+]c3c(Br)cccc23)s1 ZINC000540940421 1035825462 /nfs/dbraw/zinc/82/54/62/1035825462.db2.gz RQEGEQZVDLZTLG-UHFFFAOYSA-N 1 2 335.230 3.769 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000588236563 1035832505 /nfs/dbraw/zinc/83/25/05/1035832505.db2.gz HXEHBQFCFDXJMQ-IBGZPJMESA-N 1 2 326.440 3.855 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000588236563 1035832519 /nfs/dbraw/zinc/83/25/19/1035832519.db2.gz HXEHBQFCFDXJMQ-IBGZPJMESA-N 1 2 326.440 3.855 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(Cl)c(F)c1 ZINC000534968251 1035838731 /nfs/dbraw/zinc/83/87/31/1035838731.db2.gz YVCXLOAZVXXHLE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(Cl)c(F)c1 ZINC000534968251 1035838748 /nfs/dbraw/zinc/83/87/48/1035838748.db2.gz YVCXLOAZVXXHLE-UHFFFAOYSA-N 1 2 342.201 3.598 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1n[nH]cc1Br)CCC2 ZINC000534975107 1035850983 /nfs/dbraw/zinc/85/09/83/1035850983.db2.gz FNSCKURHWSLQSX-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C2CC2)o1 ZINC000613443776 1035912009 /nfs/dbraw/zinc/91/20/09/1035912009.db2.gz YREREGZZEZYAIO-QFBILLFUSA-N 1 2 330.472 3.734 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C2CC2)o1 ZINC000613443776 1035912024 /nfs/dbraw/zinc/91/20/24/1035912024.db2.gz YREREGZZEZYAIO-QFBILLFUSA-N 1 2 330.472 3.734 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(OC[C@H]2CCOC2)c1 ZINC000535064750 1035949529 /nfs/dbraw/zinc/94/95/29/1035949529.db2.gz BRZJFZZCDOIFNH-CABCVRRESA-N 1 2 332.469 3.718 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000613464407 1035961985 /nfs/dbraw/zinc/96/19/85/1035961985.db2.gz QTBNWLBEGXHGBM-JTDSTZFVSA-N 1 2 332.463 4.000 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000613464407 1035962006 /nfs/dbraw/zinc/96/20/06/1035962006.db2.gz QTBNWLBEGXHGBM-JTDSTZFVSA-N 1 2 332.463 4.000 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000613464267 1035963406 /nfs/dbraw/zinc/96/34/06/1035963406.db2.gz NENBEEILSNQXNK-CABCVRRESA-N 1 2 326.415 3.796 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000613464267 1035963421 /nfs/dbraw/zinc/96/34/21/1035963421.db2.gz NENBEEILSNQXNK-CABCVRRESA-N 1 2 326.415 3.796 20 0 EHADLO FC(F)Oc1ccc([C@@H]([NH2+]Cc2cc[nH]n2)c2ccccc2)cc1 ZINC000171127286 1035975789 /nfs/dbraw/zinc/97/57/89/1035975789.db2.gz WIKDXUNGSVMWBA-KRWDZBQOSA-N 1 2 329.350 3.890 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000189022113 1036007264 /nfs/dbraw/zinc/00/72/64/1036007264.db2.gz YBKIOWCDSGJELT-FQEVSTJZSA-N 1 2 346.409 3.987 20 0 EHADLO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000463966099 1036010945 /nfs/dbraw/zinc/01/09/45/1036010945.db2.gz SJCOITDJXKJKDB-KRWDZBQOSA-N 1 2 348.450 3.953 20 0 EHADLO CCC[N@H+](CC(=O)NC(C)C)[C@H](C)c1ccccc1Br ZINC000613479808 1036015321 /nfs/dbraw/zinc/01/53/21/1036015321.db2.gz QYYOCNJIEVMZKW-CYBMUJFWSA-N 1 2 341.293 3.747 20 0 EHADLO CCC[N@@H+](CC(=O)NC(C)C)[C@H](C)c1ccccc1Br ZINC000613479808 1036015346 /nfs/dbraw/zinc/01/53/46/1036015346.db2.gz QYYOCNJIEVMZKW-CYBMUJFWSA-N 1 2 341.293 3.747 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000613483290 1036025986 /nfs/dbraw/zinc/02/59/86/1036025986.db2.gz XUUZJRJSDUKOBG-OAHLLOKOSA-N 1 2 338.426 3.768 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000613483290 1036025988 /nfs/dbraw/zinc/02/59/88/1036025988.db2.gz XUUZJRJSDUKOBG-OAHLLOKOSA-N 1 2 338.426 3.768 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000613484134 1036036821 /nfs/dbraw/zinc/03/68/21/1036036821.db2.gz KRLZVPYXDNZCJF-MJGOQNOKSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000613484134 1036036843 /nfs/dbraw/zinc/03/68/43/1036036843.db2.gz KRLZVPYXDNZCJF-MJGOQNOKSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000613484819 1036044859 /nfs/dbraw/zinc/04/48/59/1036044859.db2.gz NDFWOESQNZETBZ-UHFFFAOYSA-N 1 2 340.467 3.959 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000613484819 1036044874 /nfs/dbraw/zinc/04/48/74/1036044874.db2.gz NDFWOESQNZETBZ-UHFFFAOYSA-N 1 2 340.467 3.959 20 0 EHADLO CC1(C)[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C[C@@H]1c1ccccc1 ZINC000464066132 1036080837 /nfs/dbraw/zinc/08/08/37/1036080837.db2.gz QIXDUISITVLZED-RTBURBONSA-N 1 2 337.467 3.912 20 0 EHADLO C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)c1nccn1C ZINC000414216241 1036108757 /nfs/dbraw/zinc/10/87/57/1036108757.db2.gz ZIPAYKLRUMEFNX-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000639921201 1036119598 /nfs/dbraw/zinc/11/95/98/1036119598.db2.gz UDBKRUYDCYOEFY-QGZVFWFLSA-N 1 2 342.487 3.596 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000639921201 1036119606 /nfs/dbraw/zinc/11/96/06/1036119606.db2.gz UDBKRUYDCYOEFY-QGZVFWFLSA-N 1 2 342.487 3.596 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000572506458 1036120914 /nfs/dbraw/zinc/12/09/14/1036120914.db2.gz UDUIQMZRANVGBA-IXDOHACOSA-N 1 2 340.471 3.507 20 0 EHADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OC(F)F)cc1 ZINC000414229812 1036173623 /nfs/dbraw/zinc/17/36/23/1036173623.db2.gz AEEGBLYIQBBQMH-SECBINFHSA-N 1 2 347.287 3.948 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1cccc(C(F)F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000170635858 1036179134 /nfs/dbraw/zinc/17/91/34/1036179134.db2.gz UERKXOFIUZFHJW-IOASZLSFSA-N 1 2 340.414 3.697 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)NCCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000457509230 1036212429 /nfs/dbraw/zinc/21/24/29/1036212429.db2.gz QZXIIMMEJILQAF-LJQANCHMSA-N 1 2 342.487 3.783 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000190257038 1036213719 /nfs/dbraw/zinc/21/37/19/1036213719.db2.gz XPKSDARYFVGIOX-GHMZBOCLSA-N 1 2 338.238 3.630 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1F ZINC000535258514 1036246935 /nfs/dbraw/zinc/24/69/35/1036246935.db2.gz RMBCCLHGJZTANQ-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)C(C)C ZINC000175210502 1036280887 /nfs/dbraw/zinc/28/08/87/1036280887.db2.gz NCIYSVYHSQCWLT-KRWDZBQOSA-N 1 2 346.519 3.622 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)cn1C ZINC000589157796 1036283767 /nfs/dbraw/zinc/28/37/67/1036283767.db2.gz FFHIABGPOZRBQT-UHFFFAOYSA-N 1 2 341.238 3.751 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)cn1C ZINC000589157796 1036283783 /nfs/dbraw/zinc/28/37/83/1036283783.db2.gz FFHIABGPOZRBQT-UHFFFAOYSA-N 1 2 341.238 3.751 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190893108 1036287222 /nfs/dbraw/zinc/28/72/22/1036287222.db2.gz DPDCIPYVRBVWQW-UHFFFAOYSA-N 1 2 327.815 3.824 20 0 EHADLO CC[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000414253717 1036287767 /nfs/dbraw/zinc/28/77/67/1036287767.db2.gz JPUQPQTZUPYAEP-GXFFZTMASA-N 1 2 330.329 3.601 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)s1 ZINC000175228101 1036288680 /nfs/dbraw/zinc/28/86/80/1036288680.db2.gz YDCPQEDXSLTAIF-GFCCVEGCSA-N 1 2 349.887 3.817 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000492773969 1036298546 /nfs/dbraw/zinc/29/85/46/1036298546.db2.gz WSHKXWHJBCRSHX-VMPITWQZSA-N 1 2 337.345 3.590 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000589209093 1036314030 /nfs/dbraw/zinc/31/40/30/1036314030.db2.gz VYLGWPLKSDQEDA-UHFFFAOYSA-N 1 2 342.439 3.799 20 0 EHADLO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)ccn1 ZINC000190992758 1036317667 /nfs/dbraw/zinc/31/76/67/1036317667.db2.gz UWURJWXEASSLKH-OAHLLOKOSA-N 1 2 345.491 3.531 20 0 EHADLO CCc1ccc(/C=C/C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000492800731 1036319059 /nfs/dbraw/zinc/31/90/59/1036319059.db2.gz NPFPEELTPVEDPW-CSKARUKUSA-N 1 2 332.407 3.541 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(Cl)c1F ZINC000464354277 1036368001 /nfs/dbraw/zinc/36/80/01/1036368001.db2.gz TVDAFFTUODQVTL-UHFFFAOYSA-N 1 2 333.794 3.509 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000492904548 1036378166 /nfs/dbraw/zinc/37/81/66/1036378166.db2.gz XVFAWUZPRCTXKN-YDZSZYSISA-N 1 2 339.439 3.540 20 0 EHADLO Cc1cnc(OC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)nc1 ZINC000653800418 1036436174 /nfs/dbraw/zinc/43/61/74/1036436174.db2.gz NNIXJZAFBNUAFW-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccc(F)cc4)C[C@H]3C)ccn12 ZINC000572660648 1036450691 /nfs/dbraw/zinc/45/06/91/1036450691.db2.gz NYAQCENWQQCTAU-DYVFJYSZSA-N 1 2 337.398 3.800 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000192030089 1036459686 /nfs/dbraw/zinc/45/96/86/1036459686.db2.gz BAOYBIAYVVAOTD-IBGZPJMESA-N 1 2 337.423 3.656 20 0 EHADLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000192030089 1036459697 /nfs/dbraw/zinc/45/96/97/1036459697.db2.gz BAOYBIAYVVAOTD-IBGZPJMESA-N 1 2 337.423 3.656 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)nc2ccccc12 ZINC000572718060 1036468163 /nfs/dbraw/zinc/46/81/63/1036468163.db2.gz UGAHQZFWLSQNAO-SFHVURJKSA-N 1 2 348.899 3.905 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)nc2ccccc12 ZINC000572718060 1036468173 /nfs/dbraw/zinc/46/81/73/1036468173.db2.gz UGAHQZFWLSQNAO-SFHVURJKSA-N 1 2 348.899 3.905 20 0 EHADLO CC(C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000760741777 1036475065 /nfs/dbraw/zinc/47/50/65/1036475065.db2.gz LPNGPRQFOJJNRC-UHFFFAOYSA-N 1 2 340.471 3.840 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ncccn3)s2)cc1 ZINC000192182969 1036484800 /nfs/dbraw/zinc/48/48/00/1036484800.db2.gz YJULKFRIDOGZOF-GFCCVEGCSA-N 1 2 340.452 3.768 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1ncc(C)o1 ZINC000192732357 1036543138 /nfs/dbraw/zinc/54/31/38/1036543138.db2.gz MSTHMTMZVSUUMG-UHFFFAOYSA-N 1 2 325.368 3.628 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)cc1 ZINC000589639042 1036568461 /nfs/dbraw/zinc/56/84/61/1036568461.db2.gz OPGZTIUKEKZNHK-ZDUSSCGKSA-N 1 2 334.423 3.762 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2nccs2)c1)c1cccc(F)c1 ZINC000589642999 1036573128 /nfs/dbraw/zinc/57/31/28/1036573128.db2.gz VEYBELVAINLTAX-UHFFFAOYSA-N 1 2 341.411 3.824 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000170955978 1036578140 /nfs/dbraw/zinc/57/81/40/1036578140.db2.gz MRUGQIWYQHOWAW-ZDUSSCGKSA-N 1 2 346.377 3.846 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000170955978 1036578152 /nfs/dbraw/zinc/57/81/52/1036578152.db2.gz MRUGQIWYQHOWAW-ZDUSSCGKSA-N 1 2 346.377 3.846 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)no1 ZINC000541704095 1036580773 /nfs/dbraw/zinc/58/07/73/1036580773.db2.gz YCEOTFWSKHVCDI-MAUKXSAKSA-N 1 2 349.434 3.623 20 0 EHADLO CCc1nn(C)cc1CNc1[nH+]c2cc(Cl)c(Cl)cc2n1C ZINC000666236874 1036588199 /nfs/dbraw/zinc/58/81/99/1036588199.db2.gz CWBZHPVWAIMLDO-UHFFFAOYSA-N 1 2 338.242 3.788 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1SC ZINC000457904396 1036602165 /nfs/dbraw/zinc/60/21/65/1036602165.db2.gz RPOABWBHYSNCPF-MRXNPFEDSA-N 1 2 342.464 3.630 20 0 EHADLO COc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1SC ZINC000457904396 1036602178 /nfs/dbraw/zinc/60/21/78/1036602178.db2.gz RPOABWBHYSNCPF-MRXNPFEDSA-N 1 2 342.464 3.630 20 0 EHADLO COCc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2cc(F)ccc2n1 ZINC000685907122 1036634320 /nfs/dbraw/zinc/63/43/20/1036634320.db2.gz DUXZTONVEGJHOE-MRXNPFEDSA-N 1 2 340.402 3.558 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249790607 1036655605 /nfs/dbraw/zinc/65/56/05/1036655605.db2.gz ULXDBWADCBSSST-QAETUUGQSA-N 1 2 347.503 3.852 20 0 EHADLO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000464683281 1036656496 /nfs/dbraw/zinc/65/64/96/1036656496.db2.gz UYLWWEIYSNIXMV-KRWDZBQOSA-N 1 2 327.476 3.889 20 0 EHADLO CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2nnnn2C(C)(C)C)cc1 ZINC000464683281 1036656502 /nfs/dbraw/zinc/65/65/02/1036656502.db2.gz UYLWWEIYSNIXMV-KRWDZBQOSA-N 1 2 327.476 3.889 20 0 EHADLO CCc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000024527391 1036686529 /nfs/dbraw/zinc/68/65/29/1036686529.db2.gz PJVAFZICZBMORY-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO CCc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000024527391 1036686536 /nfs/dbraw/zinc/68/65/36/1036686536.db2.gz PJVAFZICZBMORY-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO CC(=O)Nc1ccccc1CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000535593609 1036696277 /nfs/dbraw/zinc/69/62/77/1036696277.db2.gz WLPIABYBJQZVLO-UHFFFAOYSA-N 1 2 326.444 3.716 20 0 EHADLO C[C@@H](CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000493111164 1036719296 /nfs/dbraw/zinc/71/92/96/1036719296.db2.gz CDLJZPGQCYUJRY-LLPBQKLSSA-N 1 2 337.345 3.590 20 0 EHADLO CNc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC001625885259 1036750164 /nfs/dbraw/zinc/75/01/64/1036750164.db2.gz AJNUHWBQQQTJEE-UHFFFAOYSA-N 1 2 326.787 3.820 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000162146506 1036774463 /nfs/dbraw/zinc/77/44/63/1036774463.db2.gz DHTQKFNCNICZBH-LBPRGKRZSA-N 1 2 347.488 3.754 20 0 EHADLO COC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000462314415 1036807090 /nfs/dbraw/zinc/80/70/90/1036807090.db2.gz DDNZVINBXAOWMN-HUUCEWRRSA-N 1 2 341.455 3.744 20 0 EHADLO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493158172 1036807413 /nfs/dbraw/zinc/80/74/13/1036807413.db2.gz OZUJXGHKXINPFJ-BQYQJAHWSA-N 1 2 337.345 3.533 20 0 EHADLO Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1F ZINC000103242081 1036857921 /nfs/dbraw/zinc/85/79/21/1036857921.db2.gz XUPUQLYSTPUOHL-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO Cc1sc(C(=O)NCCc2[nH]cc[nH+]2)cc1-c1ccc(F)cc1 ZINC000176351422 1036870743 /nfs/dbraw/zinc/87/07/43/1036870743.db2.gz AJTZOKHABZTGHJ-UHFFFAOYSA-N 1 2 329.400 3.558 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4cnc5ccccc5c4)no3)c2)c[nH+]1 ZINC000349975811 1036881977 /nfs/dbraw/zinc/88/19/77/1036881977.db2.gz VDRFOLSUARQNFJ-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1nc(C(C)(C)C)no1 ZINC000174659785 1036904084 /nfs/dbraw/zinc/90/40/84/1036904084.db2.gz XBTLVRPUGXRIAW-GFCCVEGCSA-N 1 2 329.444 3.931 20 0 EHADLO O=C(/C=C/Sc1cc(F)ccc1F)NCc1ccn2cc[nH+]c2c1 ZINC000493219660 1036927393 /nfs/dbraw/zinc/92/73/93/1036927393.db2.gz MCQIEUKCUOLBOE-XBXARRHUSA-N 1 2 345.374 3.535 20 0 EHADLO Fc1ccc2oc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)nc2c1 ZINC000464872838 1036936108 /nfs/dbraw/zinc/93/61/08/1036936108.db2.gz YEQAWSBHMVIWAS-UHFFFAOYSA-N 1 2 345.805 3.943 20 0 EHADLO CCC[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000590526100 1036941572 /nfs/dbraw/zinc/94/15/72/1036941572.db2.gz BGCOTPIBFXTOFB-SFHVURJKSA-N 1 2 344.503 3.662 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000541980415 1036942391 /nfs/dbraw/zinc/94/23/91/1036942391.db2.gz AXYBNJMYVDWYPT-QGZVFWFLSA-N 1 2 326.371 3.612 20 0 EHADLO Clc1cccc2c1CC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000539597698 1036953324 /nfs/dbraw/zinc/95/33/24/1036953324.db2.gz VUVQWDZKTZHCFL-QGZVFWFLSA-N 1 2 329.831 3.671 20 0 EHADLO Cn1ccc(/C=C\C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000493233706 1036956963 /nfs/dbraw/zinc/95/69/63/1036956963.db2.gz OBQHMEOPDMFAMY-HJWRWDBZSA-N 1 2 344.418 3.592 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)n1 ZINC000590599993 1036965529 /nfs/dbraw/zinc/96/55/29/1036965529.db2.gz IPAYVIJJIFVQAC-ZIAGYGMSSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)n1 ZINC000590599993 1036965540 /nfs/dbraw/zinc/96/55/40/1036965540.db2.gz IPAYVIJJIFVQAC-ZIAGYGMSSA-N 1 2 332.473 3.658 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1)NC1CC1 ZINC000476983285 1036996248 /nfs/dbraw/zinc/99/62/48/1036996248.db2.gz IWKBSACODKMCQK-UHFFFAOYSA-N 1 2 339.266 3.751 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728735 1037006343 /nfs/dbraw/zinc/00/63/43/1037006343.db2.gz GYJRBZUWNBSQCV-NUEKZKHPSA-N 1 2 329.831 3.504 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)c2ccc(F)cc2O1 ZINC000655747633 1037012600 /nfs/dbraw/zinc/01/26/00/1037012600.db2.gz IFWRFGMLUMCFEY-KRWDZBQOSA-N 1 2 329.419 3.751 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3csc(C(C)C)n3)[nH+]c12 ZINC000176508144 1037023486 /nfs/dbraw/zinc/02/34/86/1037023486.db2.gz LHUZMJYCKCVCIG-QFIPXVFZSA-N 1 2 333.482 3.672 20 0 EHADLO Clc1cccc2c(N3CCOC4(CCOCC4)CC3)cc[nH+]c12 ZINC000376465093 1037024696 /nfs/dbraw/zinc/02/46/96/1037024696.db2.gz WDZNVUDYQSLLKX-UHFFFAOYSA-N 1 2 332.831 3.664 20 0 EHADLO FC(F)(F)c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000590770267 1037032180 /nfs/dbraw/zinc/03/21/80/1037032180.db2.gz IPMRSMDEFUSMRW-NSHDSACASA-N 1 2 330.741 3.792 20 0 EHADLO FC(F)(F)Cc1ncc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000892639308 1037032765 /nfs/dbraw/zinc/03/27/65/1037032765.db2.gz AZIALUJDQLRJHH-UHFFFAOYSA-N 1 2 342.390 3.855 20 0 EHADLO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000248903298 1037044905 /nfs/dbraw/zinc/04/49/05/1037044905.db2.gz VMEYBPDNSMOILR-OLZOCXBDSA-N 1 2 339.277 3.898 20 0 EHADLO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000248903298 1037044931 /nfs/dbraw/zinc/04/49/31/1037044931.db2.gz VMEYBPDNSMOILR-OLZOCXBDSA-N 1 2 339.277 3.898 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)c1nc(C(C)(C)C)no1)C2 ZINC000590789131 1037054558 /nfs/dbraw/zinc/05/45/58/1037054558.db2.gz QPVSOKKQORCQAF-ZDUSSCGKSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)c1nc(C(C)(C)C)no1)C2 ZINC000590789131 1037054571 /nfs/dbraw/zinc/05/45/71/1037054571.db2.gz QPVSOKKQORCQAF-ZDUSSCGKSA-N 1 2 329.444 3.885 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1nccs1 ZINC000892641901 1037062025 /nfs/dbraw/zinc/06/20/25/1037062025.db2.gz ZDOQNZXJLYYGIV-UHFFFAOYSA-N 1 2 325.459 3.841 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000414373104 1037067570 /nfs/dbraw/zinc/06/75/70/1037067570.db2.gz LHBPMQYDTKESRC-MRXNPFEDSA-N 1 2 349.521 3.749 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000414373104 1037067588 /nfs/dbraw/zinc/06/75/88/1037067588.db2.gz LHBPMQYDTKESRC-MRXNPFEDSA-N 1 2 349.521 3.749 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)s1 ZINC000414373103 1037069325 /nfs/dbraw/zinc/06/93/25/1037069325.db2.gz LHBPMQYDTKESRC-INIZCTEOSA-N 1 2 349.521 3.749 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)s1 ZINC000414373103 1037069338 /nfs/dbraw/zinc/06/93/38/1037069338.db2.gz LHBPMQYDTKESRC-INIZCTEOSA-N 1 2 349.521 3.749 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123539114 1037071749 /nfs/dbraw/zinc/07/17/49/1037071749.db2.gz AIAPEAMVEUKRRG-IEBWSBKVSA-N 1 2 339.483 3.969 20 0 EHADLO CO[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000666455605 1037071704 /nfs/dbraw/zinc/07/17/04/1037071704.db2.gz UKYCPGLCYQPVMX-CRAIPNDOSA-N 1 2 339.439 3.640 20 0 EHADLO CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000590836064 1037074401 /nfs/dbraw/zinc/07/44/01/1037074401.db2.gz FJJZTPZELXFABJ-INIZCTEOSA-N 1 2 347.459 3.594 20 0 EHADLO CC(C)[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590857927 1037102419 /nfs/dbraw/zinc/10/24/19/1037102419.db2.gz LDYXXSCZDAKFGX-RBUKOAKNSA-N 1 2 340.471 3.669 20 0 EHADLO CCCC[C@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OC(C)(C)C ZINC000462535732 1037105790 /nfs/dbraw/zinc/10/57/90/1037105790.db2.gz PYFGVBZCJZZTIA-INIZCTEOSA-N 1 2 331.460 3.633 20 0 EHADLO CCCOc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000104994530 1037121705 /nfs/dbraw/zinc/12/17/05/1037121705.db2.gz ZRAUGCDJJJEGTJ-UHFFFAOYSA-N 1 2 342.443 3.884 20 0 EHADLO FC1(F)CC(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)C1 ZINC000351189358 1037143119 /nfs/dbraw/zinc/14/31/19/1037143119.db2.gz QVCWWELIHZLOPC-UHFFFAOYSA-N 1 2 330.338 3.569 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)[nH+]cc2C)cc1F ZINC000666496136 1037150533 /nfs/dbraw/zinc/15/05/33/1037150533.db2.gz JMUMWHUGHIEOQM-QGZVFWFLSA-N 1 2 343.402 3.637 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2)cs1 ZINC000573003809 1037152955 /nfs/dbraw/zinc/15/29/55/1037152955.db2.gz ALPIRNOLLFJKLG-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000539763513 1037161242 /nfs/dbraw/zinc/16/12/42/1037161242.db2.gz RLNLAWAOCJDRCF-MRXNPFEDSA-N 1 2 332.492 3.662 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc21 ZINC000153070577 1037215043 /nfs/dbraw/zinc/21/50/43/1037215043.db2.gz IQLHUSDRPXNSQR-GPMSIDNRSA-N 1 2 338.455 3.696 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)CCc3ccc(Cl)cc3)[nH+]c12 ZINC000539814534 1037231752 /nfs/dbraw/zinc/23/17/52/1037231752.db2.gz FWXCQYBCHZYNQA-UHFFFAOYSA-N 1 2 341.842 3.540 20 0 EHADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1Oc1ccccc1 ZINC000462653372 1037239563 /nfs/dbraw/zinc/23/95/63/1037239563.db2.gz DJRJWDPIOUGSHW-XJKSGUPXSA-N 1 2 346.377 3.653 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000303230789 1037255696 /nfs/dbraw/zinc/25/56/96/1037255696.db2.gz VKYOHNODRUEXAL-UHFFFAOYSA-N 1 2 332.488 3.556 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000539834932 1037265003 /nfs/dbraw/zinc/26/50/03/1037265003.db2.gz SQUTWDGRFYFMRV-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000539834932 1037265018 /nfs/dbraw/zinc/26/50/18/1037265018.db2.gz SQUTWDGRFYFMRV-KRWDZBQOSA-N 1 2 339.332 3.936 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3ccccc3C)no2)c1 ZINC000052710751 1037267888 /nfs/dbraw/zinc/26/78/88/1037267888.db2.gz CMDCRLQQZSUGAD-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3ccccc3C)no2)c1 ZINC000052710751 1037267902 /nfs/dbraw/zinc/26/79/02/1037267902.db2.gz CMDCRLQQZSUGAD-UHFFFAOYSA-N 1 2 337.423 3.864 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CSCc3ccccc32)s1 ZINC000591239114 1037284670 /nfs/dbraw/zinc/28/46/70/1037284670.db2.gz XLJJGCONEJRKCB-ZWNOBZJWSA-N 1 2 334.466 3.568 20 0 EHADLO O=C(NC[C@H]1CC12CC2)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000573114300 1037289421 /nfs/dbraw/zinc/28/94/21/1037289421.db2.gz ZATAFIDOHIRAQY-CQSZACIVSA-N 1 2 336.439 3.808 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H](C)O1 ZINC000573123377 1037293193 /nfs/dbraw/zinc/29/31/93/1037293193.db2.gz GKPIUKYIOVYBJD-STEAMIEHSA-N 1 2 342.483 3.671 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ncc(C)s1 ZINC000187268153 1037293978 /nfs/dbraw/zinc/29/39/78/1037293978.db2.gz MCJGDFWISFBCMJ-UHFFFAOYSA-N 1 2 325.437 3.812 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395087 1037314740 /nfs/dbraw/zinc/31/47/40/1037314740.db2.gz LWHWWMKEDYFHTM-DZGCQCFKSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395087 1037314760 /nfs/dbraw/zinc/31/47/60/1037314760.db2.gz LWHWWMKEDYFHTM-DZGCQCFKSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532452832 1037317333 /nfs/dbraw/zinc/31/73/33/1037317333.db2.gz DWPFFGIECFAIIC-YWZLYKJASA-N 1 2 333.435 3.891 20 0 EHADLO COC(=O)C(C)(C)[C@@H]1CCCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000614821901 1037330717 /nfs/dbraw/zinc/33/07/17/1037330717.db2.gz UDPFLBJQBQKJAF-CQSZACIVSA-N 1 2 342.439 3.659 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000591384424 1037362957 /nfs/dbraw/zinc/36/29/57/1037362957.db2.gz WNOPITCWYVBCLC-UHFFFAOYSA-N 1 2 333.435 3.993 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000591384424 1037362973 /nfs/dbraw/zinc/36/29/73/1037362973.db2.gz WNOPITCWYVBCLC-UHFFFAOYSA-N 1 2 333.435 3.993 20 0 EHADLO CCSCC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301463225 1037383926 /nfs/dbraw/zinc/38/39/26/1037383926.db2.gz VNRRAILSDOOVLN-ZDUSSCGKSA-N 1 2 327.457 3.759 20 0 EHADLO COCC[N@H+](CCC(F)(F)F)Cc1sccc1Br ZINC000462793980 1037405356 /nfs/dbraw/zinc/40/53/56/1037405356.db2.gz VZAWROYCAMCLPH-UHFFFAOYSA-N 1 2 346.212 3.911 20 0 EHADLO COCC[N@@H+](CCC(F)(F)F)Cc1sccc1Br ZINC000462793980 1037405365 /nfs/dbraw/zinc/40/53/65/1037405365.db2.gz VZAWROYCAMCLPH-UHFFFAOYSA-N 1 2 346.212 3.911 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C1(C)C ZINC000462803758 1037424375 /nfs/dbraw/zinc/42/43/75/1037424375.db2.gz OSFDKLVBMJQXMZ-KURKYZTESA-N 1 2 345.462 3.830 20 0 EHADLO O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491381927 1037436526 /nfs/dbraw/zinc/43/65/26/1037436526.db2.gz IJWOUGZWRFPOMT-DUXPYHPUSA-N 1 2 333.794 3.622 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000591597217 1037523078 /nfs/dbraw/zinc/52/30/78/1037523078.db2.gz AZVCCAFMCMTFBX-DLBZAZTESA-N 1 2 332.492 3.788 20 0 EHADLO C[C@@H](c1cccc(NC(=O)/C=C\c2ccsc2)c1)[NH+]1CCOCC1 ZINC000491530627 1037524554 /nfs/dbraw/zinc/52/45/54/1037524554.db2.gz CFEFSVWCPIRXGE-YVACAVLKSA-N 1 2 342.464 3.793 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000493645529 1037527971 /nfs/dbraw/zinc/52/79/71/1037527971.db2.gz DYZZBZDCXIDJIG-RUGIDTFASA-N 1 2 327.453 3.969 20 0 EHADLO Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000491519028 1037534767 /nfs/dbraw/zinc/53/47/67/1037534767.db2.gz GPMUZYOAWAHBSL-YOCVDRLZSA-N 1 2 348.406 3.546 20 0 EHADLO Cc1csc([C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000613545180 1037534715 /nfs/dbraw/zinc/53/47/15/1037534715.db2.gz MPQGICYHMNNBPW-KGLIPLIRSA-N 1 2 349.525 3.522 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000591593440 1037534802 /nfs/dbraw/zinc/53/48/02/1037534802.db2.gz LFVQHOBOVWFXNT-IRXDYDNUSA-N 1 2 332.492 3.932 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)nnn1-c1ccccc1 ZINC000540176370 1037648570 /nfs/dbraw/zinc/64/85/70/1037648570.db2.gz CWYWHSJONRUDQP-HNAYVOBHSA-N 1 2 348.450 3.977 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1sccc1C1CC1 ZINC000913710226 1037652261 /nfs/dbraw/zinc/65/22/61/1037652261.db2.gz HJQSSNIPDVTGBX-UHFFFAOYSA-N 1 2 337.448 3.919 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463027261 1037659126 /nfs/dbraw/zinc/65/91/26/1037659126.db2.gz DCPORFBBDQHWIZ-OALUTQOASA-N 1 2 332.488 3.836 20 0 EHADLO CCc1cc(O)ccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493844499 1037663349 /nfs/dbraw/zinc/66/33/49/1037663349.db2.gz LZFYHJMNGPXAOF-YHYXMXQVSA-N 1 2 333.391 3.792 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000463058161 1037724657 /nfs/dbraw/zinc/72/46/57/1037724657.db2.gz YLHFKLIWHCZIGD-INIZCTEOSA-N 1 2 340.492 3.903 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)Oc1ccccc1Cl ZINC000463073462 1037736994 /nfs/dbraw/zinc/73/69/94/1037736994.db2.gz WJAULSVRWWRHQQ-CQSZACIVSA-N 1 2 346.862 4.000 20 0 EHADLO C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)Oc1ccccc1Cl ZINC000463073462 1037737014 /nfs/dbraw/zinc/73/70/14/1037737014.db2.gz WJAULSVRWWRHQQ-CQSZACIVSA-N 1 2 346.862 4.000 20 0 EHADLO CCOc1c(Cl)cccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111735304 1037740832 /nfs/dbraw/zinc/74/08/32/1037740832.db2.gz CIFCMGHOCXTCIQ-UHFFFAOYSA-N 1 2 348.834 3.804 20 0 EHADLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000506097911 1037745522 /nfs/dbraw/zinc/74/55/22/1037745522.db2.gz BRWAQHMOJQXZOQ-UHFFFAOYSA-N 1 2 346.858 3.900 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCCC2 ZINC000030656403 1037757411 /nfs/dbraw/zinc/75/74/11/1037757411.db2.gz TVEJYHUQXPDIDT-UHFFFAOYSA-N 1 2 345.446 3.740 20 0 EHADLO COc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000491290097 1037763067 /nfs/dbraw/zinc/76/30/67/1037763067.db2.gz YULYCSKXJIPHEU-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO COc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000491290097 1037763092 /nfs/dbraw/zinc/76/30/92/1037763092.db2.gz YULYCSKXJIPHEU-FQEVSTJZSA-N 1 2 345.414 3.595 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000494007870 1037789227 /nfs/dbraw/zinc/78/92/27/1037789227.db2.gz COGZTYBPXSXCHU-HIFRSBDPSA-N 1 2 349.475 3.820 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000494007870 1037789236 /nfs/dbraw/zinc/78/92/36/1037789236.db2.gz COGZTYBPXSXCHU-HIFRSBDPSA-N 1 2 349.475 3.820 20 0 EHADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000378072713 1037816744 /nfs/dbraw/zinc/81/67/44/1037816744.db2.gz HCGJCISFACMPOQ-UHFFFAOYSA-N 1 2 329.831 3.501 20 0 EHADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000378072713 1037816768 /nfs/dbraw/zinc/81/67/68/1037816768.db2.gz HCGJCISFACMPOQ-UHFFFAOYSA-N 1 2 329.831 3.501 20 0 EHADLO CC(C)c1ccc([C@H]2CCCN2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000378068448 1037821521 /nfs/dbraw/zinc/82/15/21/1037821521.db2.gz JMRGGZBFSCZCDW-GOSISDBHSA-N 1 2 326.444 3.590 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081477 1037857812 /nfs/dbraw/zinc/85/78/12/1037857812.db2.gz YMSHSAWJNDACAA-JKSUJKDBSA-N 1 2 329.831 3.573 20 0 EHADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081477 1037857836 /nfs/dbraw/zinc/85/78/36/1037857836.db2.gz YMSHSAWJNDACAA-JKSUJKDBSA-N 1 2 329.831 3.573 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)csc2C1 ZINC000378083161 1037863945 /nfs/dbraw/zinc/86/39/45/1037863945.db2.gz KCNJHAKKTLJCJN-LBPRGKRZSA-N 1 2 329.469 3.616 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)csc2C1 ZINC000378083161 1037863964 /nfs/dbraw/zinc/86/39/64/1037863964.db2.gz KCNJHAKKTLJCJN-LBPRGKRZSA-N 1 2 329.469 3.616 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378083149 1037864935 /nfs/dbraw/zinc/86/49/35/1037864935.db2.gz KARIECZNNWBEGL-LBPRGKRZSA-N 1 2 349.887 3.950 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378083149 1037864956 /nfs/dbraw/zinc/86/49/56/1037864956.db2.gz KARIECZNNWBEGL-LBPRGKRZSA-N 1 2 349.887 3.950 20 0 EHADLO CC[C@@H](C)[C@H]([NH2+]Cc1nc(CCOC)no1)c1ccc(Cl)cc1 ZINC000540388472 1037878178 /nfs/dbraw/zinc/87/81/78/1037878178.db2.gz QGBZYYQAQQOLDY-PXAZEXFGSA-N 1 2 337.851 3.789 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000492058552 1037922131 /nfs/dbraw/zinc/92/21/31/1037922131.db2.gz DVFAUCGUGQFPEX-UHFFFAOYSA-N 1 2 330.354 3.804 20 0 EHADLO CCCC[C@](CC)([NH2+][C@@H]1Cc2ccc(OC)cc2C1)C(=O)OCC ZINC001168242607 1037941466 /nfs/dbraw/zinc/94/14/66/1037941466.db2.gz CMIWSRSJRARKAU-XLIONFOSSA-N 1 2 333.472 3.654 20 0 EHADLO CCCCc1nc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000540433835 1037954296 /nfs/dbraw/zinc/95/42/96/1037954296.db2.gz YZMFMSNQFXYMDM-UHFFFAOYSA-N 1 2 330.453 3.993 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000913821214 1037964779 /nfs/dbraw/zinc/96/47/79/1037964779.db2.gz VHNUYZGXTNAOEB-MRXNPFEDSA-N 1 2 338.455 3.737 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000075767785 1037973165 /nfs/dbraw/zinc/97/31/65/1037973165.db2.gz ZNWZVLWKCYXFKS-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000075767785 1037973173 /nfs/dbraw/zinc/97/31/73/1037973173.db2.gz ZNWZVLWKCYXFKS-RBUKOAKNSA-N 1 2 331.843 3.755 20 0 EHADLO COc1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc(OC)c1 ZINC000492103462 1037976790 /nfs/dbraw/zinc/97/67/90/1037976790.db2.gz INNRUANSFUZRND-UHFFFAOYSA-N 1 2 344.333 3.736 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)cc1 ZINC000058472132 1037979488 /nfs/dbraw/zinc/97/94/88/1037979488.db2.gz DHASGZRFYIIHAB-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)cc1 ZINC000058472132 1037979499 /nfs/dbraw/zinc/97/94/99/1037979499.db2.gz DHASGZRFYIIHAB-FQEVSTJZSA-N 1 2 334.423 3.613 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C(F)(F)F)O1 ZINC000929761305 1037994351 /nfs/dbraw/zinc/99/43/51/1037994351.db2.gz PGRRJKCSQFTCRD-RUZUBIRVSA-N 1 2 335.316 3.687 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H](C(F)(F)F)O1 ZINC000929761305 1037994360 /nfs/dbraw/zinc/99/43/60/1037994360.db2.gz PGRRJKCSQFTCRD-RUZUBIRVSA-N 1 2 335.316 3.687 20 0 EHADLO NC(Cc1ccccc1Cl)=[NH+]OCc1cn2cc(Cl)ccc2n1 ZINC000058497652 1038023588 /nfs/dbraw/zinc/02/35/88/1038023588.db2.gz ABUQENHMFIAMAD-UHFFFAOYSA-N 1 2 349.221 3.673 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2cccs2)CC1 ZINC000184355500 1038030858 /nfs/dbraw/zinc/03/08/58/1038030858.db2.gz PPUKPZZIYVXBHU-CQSZACIVSA-N 1 2 348.537 3.993 20 0 EHADLO C[C@H](c1cnccn1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000184418150 1038036334 /nfs/dbraw/zinc/03/63/34/1038036334.db2.gz BYABLFSGWUFAPT-LSDHHAIUSA-N 1 2 330.863 3.570 20 0 EHADLO CCCn1c(C)cc(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)c1C ZINC000741029501 1038062011 /nfs/dbraw/zinc/06/20/11/1038062011.db2.gz QDVQIVYRDOXWBX-KRWDZBQOSA-N 1 2 348.487 3.505 20 0 EHADLO CCc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000188139088 1038108718 /nfs/dbraw/zinc/10/87/18/1038108718.db2.gz WPSUQNMYQYFICN-UHFFFAOYSA-N 1 2 344.480 3.774 20 0 EHADLO CCc1ccccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000188139088 1038108724 /nfs/dbraw/zinc/10/87/24/1038108724.db2.gz WPSUQNMYQYFICN-UHFFFAOYSA-N 1 2 344.480 3.774 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000106878195 1038238993 /nfs/dbraw/zinc/23/89/93/1038238993.db2.gz DELYFNQETKMZRF-WCQYABFASA-N 1 2 349.475 3.769 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000106878195 1038239010 /nfs/dbraw/zinc/23/90/10/1038239010.db2.gz DELYFNQETKMZRF-WCQYABFASA-N 1 2 349.475 3.769 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCc1ccccc1)c1ccccc1 ZINC000378239103 1038278341 /nfs/dbraw/zinc/27/83/41/1038278341.db2.gz VDDOMRTYPPZYSY-IBGZPJMESA-N 1 2 345.446 3.721 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000107093283 1038288077 /nfs/dbraw/zinc/28/80/77/1038288077.db2.gz XJMKVNFWLYBZCZ-CQSZACIVSA-N 1 2 332.494 3.599 20 0 EHADLO CSc1ccsc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000107093283 1038288081 /nfs/dbraw/zinc/28/80/81/1038288081.db2.gz XJMKVNFWLYBZCZ-CQSZACIVSA-N 1 2 332.494 3.599 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(F)c(F)c1 ZINC000043266403 1038303904 /nfs/dbraw/zinc/30/39/04/1038303904.db2.gz DUOGJBBFMJLMHE-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(F)cc(F)c1 ZINC000107180169 1038305024 /nfs/dbraw/zinc/30/50/24/1038305024.db2.gz PQQNNEQWFQHXLG-UHFFFAOYSA-N 1 2 345.393 3.670 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000107180729 1038305057 /nfs/dbraw/zinc/30/50/57/1038305057.db2.gz ZFMDCELZOIWQJR-UHFFFAOYSA-N 1 2 329.469 3.762 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000532646293 1038306990 /nfs/dbraw/zinc/30/69/90/1038306990.db2.gz HMXUIFPOYMIPGN-OAHLLOKOSA-N 1 2 339.826 3.806 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@@H]2Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000532646293 1038307006 /nfs/dbraw/zinc/30/70/06/1038307006.db2.gz HMXUIFPOYMIPGN-OAHLLOKOSA-N 1 2 339.826 3.806 20 0 EHADLO Oc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1Br ZINC000315062556 1038315866 /nfs/dbraw/zinc/31/58/66/1038315866.db2.gz QUJMOCUQZYAGAQ-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000378268277 1038340169 /nfs/dbraw/zinc/34/01/69/1038340169.db2.gz NSXBAHLWPZVAQP-AWEZNQCLSA-N 1 2 326.444 3.739 20 0 EHADLO CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2ccc(C)cn12 ZINC000538568045 1038391680 /nfs/dbraw/zinc/39/16/80/1038391680.db2.gz ASSUJFVAZIXMGB-OAHLLOKOSA-N 1 2 331.460 3.585 20 0 EHADLO Clc1cnc(CN2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000538623296 1038431157 /nfs/dbraw/zinc/43/11/57/1038431157.db2.gz PIQDOVJHPDZBPH-UHFFFAOYSA-N 1 2 342.295 3.768 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC(C)(C)C1 ZINC000538665905 1038460769 /nfs/dbraw/zinc/46/07/69/1038460769.db2.gz NOXJULLBMBBLAW-AWEZNQCLSA-N 1 2 332.492 3.904 20 0 EHADLO CC(C)[C@H](C)N(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000667135004 1038512616 /nfs/dbraw/zinc/51/26/16/1038512616.db2.gz OGWQCAKEBDIDNX-YJBOKZPZSA-N 1 2 325.456 3.967 20 0 EHADLO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3nccc(N)n3)cc2)c1 ZINC000182070202 1038534413 /nfs/dbraw/zinc/53/44/13/1038534413.db2.gz BKGSTFSIVCIDNE-MRXNPFEDSA-N 1 2 348.450 3.797 20 0 EHADLO O=C(CCc1cccc(Br)c1)Nc1cccc2[nH+]ccn21 ZINC000461629511 1038542862 /nfs/dbraw/zinc/54/28/62/1038542862.db2.gz GLASHRXANGAZCF-UHFFFAOYSA-N 1 2 344.212 3.668 20 0 EHADLO CCC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCC(F)(F)CC1 ZINC000667157997 1038571741 /nfs/dbraw/zinc/57/17/41/1038571741.db2.gz NDMDAIBTBBBBMC-UHFFFAOYSA-N 1 2 336.426 3.724 20 0 EHADLO CC(C)([NH2+]Cc1cccc(Cl)c1O)C(=O)NCC1CCCCC1 ZINC000182639770 1038621363 /nfs/dbraw/zinc/62/13/63/1038621363.db2.gz BRRUPXUTQAEXIN-UHFFFAOYSA-N 1 2 338.879 3.610 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000628480298 1038622034 /nfs/dbraw/zinc/62/20/34/1038622034.db2.gz NOEGBYJEKJWWIQ-UHFFFAOYSA-N 1 2 341.904 3.900 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480298 1038622037 /nfs/dbraw/zinc/62/20/37/1038622037.db2.gz NOEGBYJEKJWWIQ-UHFFFAOYSA-N 1 2 341.904 3.900 20 0 EHADLO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCCO2 ZINC000363833805 1038637901 /nfs/dbraw/zinc/63/79/01/1038637901.db2.gz ZKLYMAMARNPQQI-IAQYHMDHSA-N 1 2 347.361 3.910 20 0 EHADLO CC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)c1ccccc1 ZINC000651379716 1038641454 /nfs/dbraw/zinc/64/14/54/1038641454.db2.gz QOTLCUSYTAUCFD-SFHVURJKSA-N 1 2 339.483 3.635 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)c2ccccc2C1 ZINC000378499010 1038670327 /nfs/dbraw/zinc/67/03/27/1038670327.db2.gz SRGXAZIFNYEOMH-OAQYLSRUSA-N 1 2 349.478 3.974 20 0 EHADLO CC(=O)N1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)c2ccccc2C1 ZINC000378499010 1038670329 /nfs/dbraw/zinc/67/03/29/1038670329.db2.gz SRGXAZIFNYEOMH-OAQYLSRUSA-N 1 2 349.478 3.974 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC000660003973 1038678619 /nfs/dbraw/zinc/67/86/19/1038678619.db2.gz QSHVNXAPRIZMGA-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC000660003973 1038678622 /nfs/dbraw/zinc/67/86/22/1038678622.db2.gz QSHVNXAPRIZMGA-OAHLLOKOSA-N 1 2 339.361 3.806 20 0 EHADLO CC(C)c1cc(N2CC[C@@](CO)(c3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000461931027 1038680990 /nfs/dbraw/zinc/68/09/90/1038680990.db2.gz KRHSLIUOWMLPMH-OAQYLSRUSA-N 1 2 339.483 3.864 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000924684937 1038703926 /nfs/dbraw/zinc/70/39/26/1038703926.db2.gz OBXDIKIEMYUPHO-MRXNPFEDSA-N 1 2 332.831 3.883 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@](C)(O)c3ccccc3)c2)[nH+]c1C ZINC000378571156 1038726076 /nfs/dbraw/zinc/72/60/76/1038726076.db2.gz MQJDTLHGVQFUPV-OAQYLSRUSA-N 1 2 349.434 3.930 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1c(F)cccc1F ZINC000539234461 1038746036 /nfs/dbraw/zinc/74/60/36/1038746036.db2.gz SGVJGDHXPGORLY-ZDUSSCGKSA-N 1 2 330.378 3.595 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000042504769 1038784363 /nfs/dbraw/zinc/78/43/63/1038784363.db2.gz IQTPWBDZVSLZCK-IBGZPJMESA-N 1 2 328.481 3.756 20 0 EHADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccsc2)C2CC2)cc1 ZINC000042504769 1038784374 /nfs/dbraw/zinc/78/43/74/1038784374.db2.gz IQTPWBDZVSLZCK-IBGZPJMESA-N 1 2 328.481 3.756 20 0 EHADLO O=C1SCCN1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000041887430 1038830536 /nfs/dbraw/zinc/83/05/36/1038830536.db2.gz AJCWJWYWAZBRIF-LBPRGKRZSA-N 1 2 333.482 3.602 20 0 EHADLO O=C1SCCN1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000041887430 1038830564 /nfs/dbraw/zinc/83/05/64/1038830564.db2.gz AJCWJWYWAZBRIF-LBPRGKRZSA-N 1 2 333.482 3.602 20 0 EHADLO CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1(CC)CC ZINC000488090698 1038841578 /nfs/dbraw/zinc/84/15/78/1038841578.db2.gz QZJXHJHQTYMHOP-ZWKOTPCHSA-N 1 2 341.455 3.586 20 0 EHADLO Cn1cc(CNc2ccc(N3CCCC3)c[nH+]2)c(C2CCCC2)n1 ZINC000905405692 1038862761 /nfs/dbraw/zinc/86/27/61/1038862761.db2.gz MEEQQBBZKLHNSM-UHFFFAOYSA-N 1 2 325.460 3.685 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2nc(-c3ccccc3C)no2)c(C)[nH+]1 ZINC000614036232 1038864104 /nfs/dbraw/zinc/86/41/04/1038864104.db2.gz SRVNWKPIPBXYNH-DEOSSOPVSA-N 1 2 341.436 3.506 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000462213397 1038869097 /nfs/dbraw/zinc/86/90/97/1038869097.db2.gz XCLNOWXNRXFZIC-GDBMZVCRSA-N 1 2 335.517 3.715 20 0 EHADLO COc1cc(NC(=O)C(C)(C)[NH+]2CCCCC2)c(Cl)c(OC)c1 ZINC000910421059 1038905015 /nfs/dbraw/zinc/90/50/15/1038905015.db2.gz FRKBKZLCCAROCX-UHFFFAOYSA-N 1 2 340.851 3.560 20 0 EHADLO Cc1noc([C@@H](C)[N@H+](C)CCCOc2cccc(C(F)(F)F)c2)n1 ZINC000570055488 1038977417 /nfs/dbraw/zinc/97/74/17/1038977417.db2.gz WOEPQHABWDOGRX-LLVKDONJSA-N 1 2 343.349 3.859 20 0 EHADLO Cc1noc([C@@H](C)[N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)n1 ZINC000570055488 1038977430 /nfs/dbraw/zinc/97/74/30/1038977430.db2.gz WOEPQHABWDOGRX-LLVKDONJSA-N 1 2 343.349 3.859 20 0 EHADLO CC(C)c1ccc(SCC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000488258726 1039015859 /nfs/dbraw/zinc/01/58/59/1039015859.db2.gz FTCSTKVONZABKF-UHFFFAOYSA-N 1 2 331.485 3.647 20 0 EHADLO CSCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000485440904 1039056453 /nfs/dbraw/zinc/05/64/53/1039056453.db2.gz ODJODYYLHCICKV-UHFFFAOYSA-N 1 2 349.525 3.660 20 0 EHADLO CSCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000485440904 1039056467 /nfs/dbraw/zinc/05/64/67/1039056467.db2.gz ODJODYYLHCICKV-UHFFFAOYSA-N 1 2 349.525 3.660 20 0 EHADLO C[C@]12CCCC[C@H]1CN2C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000626222528 1039080903 /nfs/dbraw/zinc/08/09/03/1039080903.db2.gz LGDLGRGANDNFNH-KSSFIOAISA-N 1 2 348.516 3.925 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488337749 1039097546 /nfs/dbraw/zinc/09/75/46/1039097546.db2.gz SSIXBIKCFSAQFD-UHFFFAOYSA-N 1 2 339.414 3.940 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488337749 1039097561 /nfs/dbraw/zinc/09/75/61/1039097561.db2.gz SSIXBIKCFSAQFD-UHFFFAOYSA-N 1 2 339.414 3.940 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+](C)Cc2nc3ccccc3o2)oc1C ZINC000432785494 1039179821 /nfs/dbraw/zinc/17/98/21/1039179821.db2.gz UMTMSDKHIMXGAS-LLVKDONJSA-N 1 2 328.368 3.709 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+](C)Cc2nc3ccccc3o2)oc1C ZINC000432785494 1039179825 /nfs/dbraw/zinc/17/98/25/1039179825.db2.gz UMTMSDKHIMXGAS-LLVKDONJSA-N 1 2 328.368 3.709 20 0 EHADLO CCC[N@H+](Cc1cn2ccsc2n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000339134871 1039190586 /nfs/dbraw/zinc/19/05/86/1039190586.db2.gz XFOUIGGLLISIQP-AWEZNQCLSA-N 1 2 342.468 3.635 20 0 EHADLO CCC[N@@H+](Cc1cn2ccsc2n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000339134871 1039190589 /nfs/dbraw/zinc/19/05/89/1039190589.db2.gz XFOUIGGLLISIQP-AWEZNQCLSA-N 1 2 342.468 3.635 20 0 EHADLO Cc1ccc2[nH+]cc(CN3CC(C)(C)O[C@](C)(C(F)(F)F)C3)n2c1 ZINC000552357653 1039240777 /nfs/dbraw/zinc/24/07/77/1039240777.db2.gz LDXXJEVVFVDYSD-INIZCTEOSA-N 1 2 341.377 3.575 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123412 1039251839 /nfs/dbraw/zinc/25/18/39/1039251839.db2.gz ATRAZMCCGVVMBL-KBPBESRZSA-N 1 2 348.878 3.873 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123412 1039251848 /nfs/dbraw/zinc/25/18/48/1039251848.db2.gz ATRAZMCCGVVMBL-KBPBESRZSA-N 1 2 348.878 3.873 20 0 EHADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cn1 ZINC000339205959 1039267978 /nfs/dbraw/zinc/26/79/78/1039267978.db2.gz XSZCCIJJNOLJBR-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cn1 ZINC000339205959 1039267990 /nfs/dbraw/zinc/26/79/90/1039267990.db2.gz XSZCCIJJNOLJBR-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO CC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1C ZINC000488617771 1039310278 /nfs/dbraw/zinc/31/02/78/1039310278.db2.gz FETVTEVEECNTDC-LJQANCHMSA-N 1 2 349.434 3.768 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151243945 1039322587 /nfs/dbraw/zinc/32/25/87/1039322587.db2.gz HSRAGOHOLDVGDU-YTQUADARSA-N 1 2 340.471 3.990 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000614063090 1039328449 /nfs/dbraw/zinc/32/84/49/1039328449.db2.gz UYVBQQCNXLKXQL-BRWVUGGUSA-N 1 2 343.858 3.931 20 0 EHADLO Clc1ccc(Cl)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000488751879 1039384919 /nfs/dbraw/zinc/38/49/19/1039384919.db2.gz JRGZWNILLOEVRD-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCOC2(CCCC2)C1 ZINC000906242057 1039428052 /nfs/dbraw/zinc/42/80/52/1039428052.db2.gz ZAOXWOIFMLOMSB-HNNXBMFYSA-N 1 2 325.412 3.550 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)o1 ZINC000485703517 1039430975 /nfs/dbraw/zinc/43/09/75/1039430975.db2.gz GXQSHTNJWDCIDW-KRWDZBQOSA-N 1 2 345.414 3.713 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)o1 ZINC000485703517 1039430982 /nfs/dbraw/zinc/43/09/82/1039430982.db2.gz GXQSHTNJWDCIDW-KRWDZBQOSA-N 1 2 345.414 3.713 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)s1 ZINC000668536352 1039433225 /nfs/dbraw/zinc/43/32/25/1039433225.db2.gz SKYBIUVFEUMVHX-AWEZNQCLSA-N 1 2 327.515 3.554 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)s1 ZINC000668536352 1039433238 /nfs/dbraw/zinc/43/32/38/1039433238.db2.gz SKYBIUVFEUMVHX-AWEZNQCLSA-N 1 2 327.515 3.554 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000668888935 1039470737 /nfs/dbraw/zinc/47/07/37/1039470737.db2.gz ZZASEQLTLJOBAS-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1C1CC1)c1ncc(Br)cn1 ZINC000644895232 1039492057 /nfs/dbraw/zinc/49/20/57/1039492057.db2.gz DNGHKUXKHDDXEE-NSHDSACASA-N 1 2 332.245 3.967 20 0 EHADLO CCCCc1ccc([C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)cc1 ZINC000554581270 1039506318 /nfs/dbraw/zinc/50/63/18/1039506318.db2.gz KKGHEHQRPOKNQJ-FQEVSTJZSA-N 1 2 327.472 3.819 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582499 1039507860 /nfs/dbraw/zinc/50/78/60/1039507860.db2.gz DMLNUICIZHLZFI-XOBRGWDASA-N 1 2 337.398 3.705 20 0 EHADLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582499 1039507876 /nfs/dbraw/zinc/50/78/76/1039507876.db2.gz DMLNUICIZHLZFI-XOBRGWDASA-N 1 2 337.398 3.705 20 0 EHADLO COc1cc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc(OC)c1C ZINC000432856774 1039546983 /nfs/dbraw/zinc/54/69/83/1039546983.db2.gz AJHGYNIHEGXHKT-UHFFFAOYSA-N 1 2 340.383 3.612 20 0 EHADLO CC(C)(C(=O)N1CCC[C@](C)(c2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000552834836 1039553375 /nfs/dbraw/zinc/55/33/75/1039553375.db2.gz NQMYNYJZIYXCJK-FQEVSTJZSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1sc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1C(C)C ZINC000667368232 1039592627 /nfs/dbraw/zinc/59/26/27/1039592627.db2.gz KOJFEJUBXIXWED-JSGCOSHPSA-N 1 2 347.488 3.886 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000489083069 1039612505 /nfs/dbraw/zinc/61/25/05/1039612505.db2.gz YBOUCVZRWWHWQK-MRXNPFEDSA-N 1 2 339.782 3.640 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[C@H]([NH3+])C(F)F)n2)c(C)c1 ZINC000911970479 1039616625 /nfs/dbraw/zinc/61/66/25/1039616625.db2.gz GITLGONTBJHPCV-NSHDSACASA-N 1 2 339.411 3.656 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(c3nc(C(C)(C)C)cs3)CC2)n1 ZINC000756520491 1039674509 /nfs/dbraw/zinc/67/45/09/1039674509.db2.gz ZYADZJNNJKCCSQ-UHFFFAOYSA-N 1 2 330.501 3.919 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](Cc2ccccc2)c2ncco2)c(C)[nH+]1 ZINC000912070280 1039679033 /nfs/dbraw/zinc/67/90/33/1039679033.db2.gz AJNNELRLEACUFA-QGZVFWFLSA-N 1 2 335.407 3.709 20 0 EHADLO C[C@H](c1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1)C(F)(F)F ZINC000898909247 1039698086 /nfs/dbraw/zinc/69/80/86/1039698086.db2.gz LVDIHHQHZFXHOF-GFCCVEGCSA-N 1 2 339.361 3.714 20 0 EHADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000007914512 1039748480 /nfs/dbraw/zinc/74/84/80/1039748480.db2.gz UZKKLAQJFPHLGA-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000007914512 1039748498 /nfs/dbraw/zinc/74/84/98/1039748498.db2.gz UZKKLAQJFPHLGA-UHFFFAOYSA-N 1 2 326.440 3.691 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906831645 1039773489 /nfs/dbraw/zinc/77/34/89/1039773489.db2.gz AUXSAUPBZIGZOK-UHFFFAOYSA-N 1 2 328.447 3.535 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906831645 1039773514 /nfs/dbraw/zinc/77/35/14/1039773514.db2.gz AUXSAUPBZIGZOK-UHFFFAOYSA-N 1 2 328.447 3.535 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c[nH+]1 ZINC000584777661 1039800170 /nfs/dbraw/zinc/80/01/70/1039800170.db2.gz YHPHKAXWHHYQQM-UONOGXRCSA-N 1 2 329.366 3.619 20 0 EHADLO CCc1cc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)nc(CC)[nH+]1 ZINC000893896466 1039813877 /nfs/dbraw/zinc/81/38/77/1039813877.db2.gz YIWPCUYAFPWLOY-OAHLLOKOSA-N 1 2 341.459 3.984 20 0 EHADLO Cc1noc2ncc(C[N@H+](C)Cc3ccc(Br)o3)cc12 ZINC000893929384 1039841348 /nfs/dbraw/zinc/84/13/48/1039841348.db2.gz PYXTXTGODLGIQP-UHFFFAOYSA-N 1 2 336.189 3.519 20 0 EHADLO Cc1noc2ncc(C[N@@H+](C)Cc3ccc(Br)o3)cc12 ZINC000893929384 1039841367 /nfs/dbraw/zinc/84/13/67/1039841367.db2.gz PYXTXTGODLGIQP-UHFFFAOYSA-N 1 2 336.189 3.519 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)CS1 ZINC000554867956 1039854207 /nfs/dbraw/zinc/85/42/07/1039854207.db2.gz XAPZPQGMCQVNLT-BPUTZDHNSA-N 1 2 331.485 3.841 20 0 EHADLO Cc1n[nH]c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C ZINC000893969270 1039897109 /nfs/dbraw/zinc/89/71/09/1039897109.db2.gz JOBRVLDRMOYEEU-NXEZZACHSA-N 1 2 329.288 3.589 20 0 EHADLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(C(F)F)CC3)sc2c1 ZINC000486122403 1039905889 /nfs/dbraw/zinc/90/58/89/1039905889.db2.gz BTIBQLLBIKZDRW-UHFFFAOYSA-N 1 2 339.411 3.520 20 0 EHADLO Cc1ccc(Br)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000479029359 1039910994 /nfs/dbraw/zinc/91/09/94/1039910994.db2.gz YMDYMKXVYUHALI-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000486137481 1039922292 /nfs/dbraw/zinc/92/22/92/1039922292.db2.gz OSCRWAHMJLZGMF-UHFFFAOYSA-N 1 2 337.197 3.909 20 0 EHADLO O[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)COc1ccccc1 ZINC000553279911 1039932586 /nfs/dbraw/zinc/93/25/86/1039932586.db2.gz KQINGMZWWTYWGM-ZDUSSCGKSA-N 1 2 328.799 3.740 20 0 EHADLO CC1(C)CCC(C)(C)N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000628531695 1039933439 /nfs/dbraw/zinc/93/34/39/1039933439.db2.gz DNQAYTSUYJPGOC-UHFFFAOYSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[NH+]1Cc2ccccc2C1 ZINC000894006858 1039948826 /nfs/dbraw/zinc/94/88/26/1039948826.db2.gz YFDVHEAKPDPJJW-CQSZACIVSA-N 1 2 326.387 3.551 20 0 EHADLO Cc1noc2ncc(C[N@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)cc12 ZINC000894041386 1040003398 /nfs/dbraw/zinc/00/33/98/1040003398.db2.gz FHXADVGNCXKLRL-IFXJQAMLSA-N 1 2 337.423 3.802 20 0 EHADLO Cc1noc2ncc(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@@H]3C)cc12 ZINC000894041386 1040003416 /nfs/dbraw/zinc/00/34/16/1040003416.db2.gz FHXADVGNCXKLRL-IFXJQAMLSA-N 1 2 337.423 3.802 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CC(C)(C)O1 ZINC000480777855 1040016711 /nfs/dbraw/zinc/01/67/11/1040016711.db2.gz JGEDUMPVCYPFFS-OAHLLOKOSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CC(C)(C)O1 ZINC000480777855 1040016723 /nfs/dbraw/zinc/01/67/23/1040016723.db2.gz JGEDUMPVCYPFFS-OAHLLOKOSA-N 1 2 344.430 3.799 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc5c(c4)CCC5)no3)[nH+]c12 ZINC000555019620 1040069111 /nfs/dbraw/zinc/06/91/11/1040069111.db2.gz FVHIIPVNZGMJSK-UHFFFAOYSA-N 1 2 330.391 3.772 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000512546821 1040074287 /nfs/dbraw/zinc/07/42/87/1040074287.db2.gz GQJJIGMTVBOTJR-UONOGXRCSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000512546821 1040074302 /nfs/dbraw/zinc/07/43/02/1040074302.db2.gz GQJJIGMTVBOTJR-UONOGXRCSA-N 1 2 344.405 3.935 20 0 EHADLO Cc1cc(NC[C@@H](Cc2ccccc2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC000575225496 1040089317 /nfs/dbraw/zinc/08/93/17/1040089317.db2.gz WBVXAKHVJXGJLY-OAHLLOKOSA-N 1 2 335.373 3.917 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2ccccc2OC(F)F)c(C)[nH+]1 ZINC000907662604 1040122662 /nfs/dbraw/zinc/12/26/62/1040122662.db2.gz VBHQOUDGBUHLBJ-UHFFFAOYSA-N 1 2 334.366 3.581 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(F)CCCC1 ZINC000907814738 1040181229 /nfs/dbraw/zinc/18/12/29/1040181229.db2.gz HJLNCWXELXEFKL-AWEZNQCLSA-N 1 2 333.451 3.713 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(F)CCCC1 ZINC000907814738 1040181237 /nfs/dbraw/zinc/18/12/37/1040181237.db2.gz HJLNCWXELXEFKL-AWEZNQCLSA-N 1 2 333.451 3.713 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000907815856 1040185157 /nfs/dbraw/zinc/18/51/57/1040185157.db2.gz NITPRXYICBIMMS-OAHLLOKOSA-N 1 2 327.472 3.931 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000907815856 1040185172 /nfs/dbraw/zinc/18/51/72/1040185172.db2.gz NITPRXYICBIMMS-OAHLLOKOSA-N 1 2 327.472 3.931 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000432922706 1040185904 /nfs/dbraw/zinc/18/59/04/1040185904.db2.gz PEBCIAGTRGIJOC-NILFDRSVSA-N 1 2 329.362 3.883 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C(C)C)cc1 ZINC000432926502 1040196560 /nfs/dbraw/zinc/19/65/60/1040196560.db2.gz GMGPGKXWHZBESC-UHFFFAOYSA-N 1 2 330.476 3.912 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C(C)C)cc1 ZINC000432926502 1040196569 /nfs/dbraw/zinc/19/65/69/1040196569.db2.gz GMGPGKXWHZBESC-UHFFFAOYSA-N 1 2 330.476 3.912 20 0 EHADLO C[C@@H]1c2sccc2CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000899223066 1040201779 /nfs/dbraw/zinc/20/17/79/1040201779.db2.gz WJZHGTXKBIGBLV-CQSZACIVSA-N 1 2 337.448 3.622 20 0 EHADLO CC(C)(C)c1nnc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)[nH]1 ZINC000432928905 1040202047 /nfs/dbraw/zinc/20/20/47/1040202047.db2.gz APIHSQVLFJFAEH-UHFFFAOYSA-N 1 2 330.451 3.696 20 0 EHADLO CCn1c[nH+]cc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000417761624 1040221504 /nfs/dbraw/zinc/22/15/04/1040221504.db2.gz HLUICZDKNGKKEQ-KRWDZBQOSA-N 1 2 337.427 3.680 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000555166326 1040233715 /nfs/dbraw/zinc/23/37/15/1040233715.db2.gz IQJHHHIDOACCDW-UHFFFAOYSA-N 1 2 325.456 3.501 20 0 EHADLO C/C(Cl)=C/C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000907940340 1040236563 /nfs/dbraw/zinc/23/65/63/1040236563.db2.gz RITZHEQVYLORNL-LCYFTJDESA-N 1 2 338.238 3.708 20 0 EHADLO Cc1c2ccc(F)cc2sc1C(=O)NCCNc1cccc[nH+]1 ZINC000479451172 1040249097 /nfs/dbraw/zinc/24/90/97/1040249097.db2.gz VFOOQAZNEJKMDG-UHFFFAOYSA-N 1 2 329.400 3.586 20 0 EHADLO Cc1cc(N2CCO[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000555223118 1040294267 /nfs/dbraw/zinc/29/42/67/1040294267.db2.gz CPRVSLHLTOZZOX-LLVKDONJSA-N 1 2 326.318 3.667 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246296147 1040300937 /nfs/dbraw/zinc/30/09/37/1040300937.db2.gz CYSMPJNISPOGGH-OCCSQVGLSA-N 1 2 331.485 3.630 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000246296147 1040300948 /nfs/dbraw/zinc/30/09/48/1040300948.db2.gz CYSMPJNISPOGGH-OCCSQVGLSA-N 1 2 331.485 3.630 20 0 EHADLO C[C@H](CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)n1cc[nH+]c1 ZINC001127018506 1040324604 /nfs/dbraw/zinc/32/46/04/1040324604.db2.gz KEWWSTIPXDITRH-FOIQADDNSA-N 1 2 337.398 3.879 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000490069228 1040332459 /nfs/dbraw/zinc/33/24/59/1040332459.db2.gz UGGCUUDRXOHKDH-MRVPVSSYSA-N 1 2 347.337 3.590 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000555244587 1040332907 /nfs/dbraw/zinc/33/29/07/1040332907.db2.gz VSKJREBLXBUHEM-UXHICEINSA-N 1 2 333.435 3.882 20 0 EHADLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H](C)C1CCCCC1 ZINC000481073465 1040335396 /nfs/dbraw/zinc/33/53/96/1040335396.db2.gz PHKCGEGRUYNHNO-JKSUJKDBSA-N 1 2 346.519 3.666 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC000246639728 1040377414 /nfs/dbraw/zinc/37/74/14/1040377414.db2.gz WRSDVJCVFJXNFQ-NVGVWMPQSA-N 1 2 339.407 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC000246639728 1040377428 /nfs/dbraw/zinc/37/74/28/1040377428.db2.gz WRSDVJCVFJXNFQ-NVGVWMPQSA-N 1 2 339.407 3.522 20 0 EHADLO CCC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC(F)(F)CC1 ZINC000614181850 1040387385 /nfs/dbraw/zinc/38/73/85/1040387385.db2.gz DZUSDNSSKYIFHH-OAHLLOKOSA-N 1 2 338.398 3.667 20 0 EHADLO Cc1cccc2ncc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)n21 ZINC000668673065 1040389430 /nfs/dbraw/zinc/38/94/30/1040389430.db2.gz GZXAQGYLSOVQPU-IBGZPJMESA-N 1 2 337.423 3.589 20 0 EHADLO Cc1cccc2ncc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)n21 ZINC000668673065 1040389443 /nfs/dbraw/zinc/38/94/43/1040389443.db2.gz GZXAQGYLSOVQPU-IBGZPJMESA-N 1 2 337.423 3.589 20 0 EHADLO c1coc([C@@H]2[N@H+](Cc3ccnn3-c3ccccc3)CC23CCOCC3)c1 ZINC000668673827 1040401596 /nfs/dbraw/zinc/40/15/96/1040401596.db2.gz ZVJBABXCPZOYRC-FQEVSTJZSA-N 1 2 349.434 3.819 20 0 EHADLO c1coc([C@@H]2[N@@H+](Cc3ccnn3-c3ccccc3)CC23CCOCC3)c1 ZINC000668673827 1040401605 /nfs/dbraw/zinc/40/16/05/1040401605.db2.gz ZVJBABXCPZOYRC-FQEVSTJZSA-N 1 2 349.434 3.819 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000486833960 1040482594 /nfs/dbraw/zinc/48/25/94/1040482594.db2.gz LXXFOVWQTIKBHR-GORDUTHDSA-N 1 2 344.455 3.635 20 0 EHADLO COc1cccc(C[N@@H+]2Cc3c(Br)cccc3C[C@H]2C)n1 ZINC001137536448 1040486317 /nfs/dbraw/zinc/48/63/17/1040486317.db2.gz DTQQWJKKLMFSIB-GFCCVEGCSA-N 1 2 347.256 3.800 20 0 EHADLO COc1cccc(C[N@H+]2Cc3c(Br)cccc3C[C@H]2C)n1 ZINC001137536448 1040486320 /nfs/dbraw/zinc/48/63/20/1040486320.db2.gz DTQQWJKKLMFSIB-GFCCVEGCSA-N 1 2 347.256 3.800 20 0 EHADLO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000553833358 1040493369 /nfs/dbraw/zinc/49/33/69/1040493369.db2.gz WOLZVBOCJSSAKE-OAHLLOKOSA-N 1 2 325.437 3.735 20 0 EHADLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2ccccc2c1 ZINC000500132295 1040577119 /nfs/dbraw/zinc/57/71/19/1040577119.db2.gz FNIDLEXMAFETSU-LJQANCHMSA-N 1 2 331.419 3.634 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000555431869 1040579589 /nfs/dbraw/zinc/57/95/89/1040579589.db2.gz VYKOJTVMRBXXKX-FQEVSTJZSA-N 1 2 339.483 3.808 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000555431869 1040579595 /nfs/dbraw/zinc/57/95/95/1040579595.db2.gz VYKOJTVMRBXXKX-FQEVSTJZSA-N 1 2 339.483 3.808 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954304 1040626539 /nfs/dbraw/zinc/62/65/39/1040626539.db2.gz NEUHLDPRENUOSS-CVEARBPZSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954304 1040626555 /nfs/dbraw/zinc/62/65/55/1040626555.db2.gz NEUHLDPRENUOSS-CVEARBPZSA-N 1 2 327.428 3.625 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553991552 1040649312 /nfs/dbraw/zinc/64/93/12/1040649312.db2.gz BQSVTGNACFJBEM-GUYCJALGSA-N 1 2 346.471 3.975 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553991552 1040649326 /nfs/dbraw/zinc/64/93/26/1040649326.db2.gz BQSVTGNACFJBEM-GUYCJALGSA-N 1 2 346.471 3.975 20 0 EHADLO O=C(Cc1ccc2ccccc2c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247854442 1040656588 /nfs/dbraw/zinc/65/65/88/1040656588.db2.gz JZSWVEVMWPTAKI-UHFFFAOYSA-N 1 2 345.446 3.694 20 0 EHADLO C[C@H](c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1)[NH+](C)C ZINC000923943947 1040681550 /nfs/dbraw/zinc/68/15/50/1040681550.db2.gz SRQRPXOPNMIGRZ-GFCCVEGCSA-N 1 2 346.431 3.630 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428721603 1040686148 /nfs/dbraw/zinc/68/61/48/1040686148.db2.gz NRWNQIFPLHPZEQ-PEYYIBSZSA-N 1 2 340.439 3.713 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428721603 1040686151 /nfs/dbraw/zinc/68/61/51/1040686151.db2.gz NRWNQIFPLHPZEQ-PEYYIBSZSA-N 1 2 340.439 3.713 20 0 EHADLO Cc1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc[nH+]1 ZINC000152244888 1040691804 /nfs/dbraw/zinc/69/18/04/1040691804.db2.gz KGJADTZERDOFMB-UHFFFAOYSA-N 1 2 336.370 3.789 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000672817074 1040697641 /nfs/dbraw/zinc/69/76/41/1040697641.db2.gz AJLCRRFTORNXNK-HNNXBMFYSA-N 1 2 332.835 3.968 20 0 EHADLO Cn1c(C[NH+]2CCC(C(F)F)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473045659 1040720083 /nfs/dbraw/zinc/72/00/83/1040720083.db2.gz HWAIYBAKXWZKBS-UHFFFAOYSA-N 1 2 340.805 3.613 20 0 EHADLO C[C@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000614230966 1040756568 /nfs/dbraw/zinc/75/65/68/1040756568.db2.gz CZZYCMXCSCPTCZ-GFCCVEGCSA-N 1 2 325.334 3.512 20 0 EHADLO Cc1csc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2)n1 ZINC000667870532 1040758423 /nfs/dbraw/zinc/75/84/23/1040758423.db2.gz XFXFLNNEYFAJQD-HUUCEWRRSA-N 1 2 338.436 3.594 20 0 EHADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000600174492 1040765092 /nfs/dbraw/zinc/76/50/92/1040765092.db2.gz WCCUBUNWBRNSLI-PONJGIIJSA-N 1 2 331.868 3.712 20 0 EHADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000600174492 1040765106 /nfs/dbraw/zinc/76/51/06/1040765106.db2.gz WCCUBUNWBRNSLI-PONJGIIJSA-N 1 2 331.868 3.712 20 0 EHADLO CC(C)C[C@@H](c1nc([C@@H]2Cc3ccc(F)cc32)no1)n1cc[nH+]c1 ZINC000924151891 1040778829 /nfs/dbraw/zinc/77/88/29/1040778829.db2.gz UGSYASUBDSFBJW-CVEARBPZSA-N 1 2 326.375 3.729 20 0 EHADLO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000411370748 1040783493 /nfs/dbraw/zinc/78/34/93/1040783493.db2.gz VJHAMWPGYXSFGT-WBVHZDCISA-N 1 2 335.496 3.520 20 0 EHADLO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000411370748 1040783508 /nfs/dbraw/zinc/78/35/08/1040783508.db2.gz VJHAMWPGYXSFGT-WBVHZDCISA-N 1 2 335.496 3.520 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364321028 1040792802 /nfs/dbraw/zinc/79/28/02/1040792802.db2.gz YGMXFHQYNWDGSN-NSHDSACASA-N 1 2 335.860 3.850 20 0 EHADLO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(Cl)o3)CC2)s1 ZINC000600191321 1040799411 /nfs/dbraw/zinc/79/94/11/1040799411.db2.gz VATPWQNGNNMCSA-UHFFFAOYSA-N 1 2 340.832 3.556 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000509794102 1040844460 /nfs/dbraw/zinc/84/44/60/1040844460.db2.gz PUXXGOXCAZMENM-QGZVFWFLSA-N 1 2 333.435 3.932 20 0 EHADLO CC1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)Cc2ccccc2C1 ZINC001211782669 1040854699 /nfs/dbraw/zinc/85/46/99/1040854699.db2.gz JQPWXYUJVGYRHK-UHFFFAOYSA-N 1 2 342.402 3.979 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)nc1 ZINC000411469546 1040886847 /nfs/dbraw/zinc/88/68/47/1040886847.db2.gz MBLBKAJUNUSOGH-NSHDSACASA-N 1 2 336.794 3.902 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000899655370 1040921853 /nfs/dbraw/zinc/92/18/53/1040921853.db2.gz KPHPRKWBSGYITJ-QFBILLFUSA-N 1 2 333.435 3.866 20 0 EHADLO COc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491137257 1040922039 /nfs/dbraw/zinc/92/20/39/1040922039.db2.gz QBZSFUBVZRMUPG-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO COc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491137257 1040922055 /nfs/dbraw/zinc/92/20/55/1040922055.db2.gz QBZSFUBVZRMUPG-HXUWFJFHSA-N 1 2 345.414 3.595 20 0 EHADLO Cc1c(Cl)c(C(F)(F)F)nn1Cc1[nH+]ccn1CC(F)(F)F ZINC000664039366 1040936332 /nfs/dbraw/zinc/93/63/32/1040936332.db2.gz UHFVBLGXUUKADT-UHFFFAOYSA-N 1 2 346.662 3.671 20 0 EHADLO Cn1ccc([C@@H]([NH2+]C/C=C\c2ccncc2)c2ccc(Cl)cc2)n1 ZINC000487549300 1040954583 /nfs/dbraw/zinc/95/45/83/1040954583.db2.gz GHAKZAIRTBDHSQ-AXMVSILFSA-N 1 2 338.842 3.861 20 0 EHADLO C[N@H+](CCOc1ccccc1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487584174 1040979347 /nfs/dbraw/zinc/97/93/47/1040979347.db2.gz BVUIRDCLWFDDMV-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO C[N@@H+](CCOc1ccccc1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487584174 1040979367 /nfs/dbraw/zinc/97/93/67/1040979367.db2.gz BVUIRDCLWFDDMV-UHFFFAOYSA-N 1 2 343.377 3.661 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc(F)c1F ZINC001143607595 1040995571 /nfs/dbraw/zinc/99/55/71/1040995571.db2.gz RXNAZVSMOKUQQL-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO CN(CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC000586757673 1041002066 /nfs/dbraw/zinc/00/20/66/1041002066.db2.gz ADEFEKMIQMLNRO-UHFFFAOYSA-N 1 2 340.814 3.601 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4cnn(C(C)C)c4c3)[nH+]c12 ZINC000586756797 1041002094 /nfs/dbraw/zinc/00/20/94/1041002094.db2.gz VHNVPEQOBMWHEU-UHFFFAOYSA-N 1 2 347.422 3.755 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)s1 ZINC000481512693 1041006057 /nfs/dbraw/zinc/00/60/57/1041006057.db2.gz BUGBJNILOHTZDX-CYBMUJFWSA-N 1 2 335.448 3.846 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)s1 ZINC000481512693 1041006074 /nfs/dbraw/zinc/00/60/74/1041006074.db2.gz BUGBJNILOHTZDX-CYBMUJFWSA-N 1 2 335.448 3.846 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1CF)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000555697002 1041022145 /nfs/dbraw/zinc/02/21/45/1041022145.db2.gz JBLHNWBILICEMO-PMACEKPBSA-N 1 2 340.442 3.521 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1CF)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000555697002 1041022153 /nfs/dbraw/zinc/02/21/53/1041022153.db2.gz JBLHNWBILICEMO-PMACEKPBSA-N 1 2 340.442 3.521 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419271793 1041036142 /nfs/dbraw/zinc/03/61/42/1041036142.db2.gz AEHYMXSJFFLNER-KDOFPFPSSA-N 1 2 344.455 3.661 20 0 EHADLO Cc1cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cc[nH+]1 ZINC000500319020 1041052482 /nfs/dbraw/zinc/05/24/82/1041052482.db2.gz WRDYLASRCOLSCS-ZPVISIIKSA-N 1 2 338.373 3.899 20 0 EHADLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000343866120 1041062973 /nfs/dbraw/zinc/06/29/73/1041062973.db2.gz SPVXKZJAODBGKZ-ZYHUDNBSSA-N 1 2 330.375 3.936 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C2CCC2)C2CCC2)c1C ZINC000509812898 1041075649 /nfs/dbraw/zinc/07/56/49/1041075649.db2.gz OHPUCAMISGOPSX-UHFFFAOYSA-N 1 2 330.472 3.882 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000481589657 1041105212 /nfs/dbraw/zinc/10/52/12/1041105212.db2.gz ANFADBOGNWMBFZ-IBGZPJMESA-N 1 2 341.426 3.540 20 0 EHADLO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364396102 1041124625 /nfs/dbraw/zinc/12/46/25/1041124625.db2.gz BNKYAGRWAOBETR-QGZVFWFLSA-N 1 2 347.418 3.663 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419296932 1041149613 /nfs/dbraw/zinc/14/96/13/1041149613.db2.gz YGDIPJZOPNWWJW-AUUYWEPGSA-N 1 2 344.455 3.661 20 0 EHADLO CCn1cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c(C)n1 ZINC000893360276 1041167260 /nfs/dbraw/zinc/16/72/60/1041167260.db2.gz JQHSUWDRJZMYID-UHFFFAOYSA-N 1 2 340.496 3.743 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000571056883 1041169896 /nfs/dbraw/zinc/16/98/96/1041169896.db2.gz GCOXFTMYBIZFES-SZVBFZGTSA-N 1 2 325.456 3.506 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000571056883 1041169905 /nfs/dbraw/zinc/16/99/05/1041169905.db2.gz GCOXFTMYBIZFES-SZVBFZGTSA-N 1 2 325.456 3.506 20 0 EHADLO COCc1nc(C[NH+]2CCC(OCC3CCCCC3)CC2)cs1 ZINC000525784900 1041245169 /nfs/dbraw/zinc/24/51/69/1041245169.db2.gz FXTLDRNAYJNHOR-UHFFFAOYSA-N 1 2 338.517 3.851 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C(C)(C)C)cn1 ZINC000433311801 1041252693 /nfs/dbraw/zinc/25/26/93/1041252693.db2.gz NSJXLOALMQPBHL-LBPRGKRZSA-N 1 2 332.395 3.772 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3cc(C)sc3C)CC2)c(C)o1 ZINC000194396000 1041265760 /nfs/dbraw/zinc/26/57/60/1041265760.db2.gz MUXBIEFXAGHXLN-UHFFFAOYSA-N 1 2 332.469 3.533 20 0 EHADLO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C[C@@H]1CCC=CO1 ZINC000194819121 1041330690 /nfs/dbraw/zinc/33/06/90/1041330690.db2.gz NCUCURUEIDPWKZ-KRWDZBQOSA-N 1 2 346.471 3.805 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)ccc2[nH+]1 ZINC000432060228 1041492849 /nfs/dbraw/zinc/49/28/49/1041492849.db2.gz DHSMIYRGQKNUJX-OAHLLOKOSA-N 1 2 338.386 3.803 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@H](c3cccs3)C2)oc1C ZINC000292729562 1041601346 /nfs/dbraw/zinc/60/13/46/1041601346.db2.gz VFNYKJQPGKBVDG-NHYWBVRUSA-N 1 2 335.425 3.571 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@H](c3cccs3)C2)oc1C ZINC000292729562 1041601349 /nfs/dbraw/zinc/60/13/49/1041601349.db2.gz VFNYKJQPGKBVDG-NHYWBVRUSA-N 1 2 335.425 3.571 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1sncc1Br ZINC001167767715 1041622399 /nfs/dbraw/zinc/62/23/99/1041622399.db2.gz ZZSDEAJISAJCIU-CHWSQXEVSA-N 1 2 347.322 3.931 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1sncc1Br ZINC001167767715 1041622402 /nfs/dbraw/zinc/62/24/02/1041622402.db2.gz ZZSDEAJISAJCIU-CHWSQXEVSA-N 1 2 347.322 3.931 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000647692824 1041672393 /nfs/dbraw/zinc/67/23/93/1041672393.db2.gz WZZSFTLEYSYLJT-DLBZAZTESA-N 1 2 349.544 3.824 20 0 EHADLO Clc1ccc(Cc2nc(CN3CCn4c[nH+]cc4C3)cs2)cc1 ZINC000660575074 1041696740 /nfs/dbraw/zinc/69/67/40/1041696740.db2.gz SLVJXUUSDRGMAF-UHFFFAOYSA-N 1 2 344.871 3.600 20 0 EHADLO Cc1nc([C@](C)([NH2+]CCSc2ccc(F)cc2F)C2CC2)no1 ZINC000660633593 1041737164 /nfs/dbraw/zinc/73/71/64/1041737164.db2.gz WFHGXDJHIGFLCE-MRXNPFEDSA-N 1 2 339.411 3.663 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(C)cc(F)c3)cn2c1 ZINC000432199895 1041770885 /nfs/dbraw/zinc/77/08/85/1041770885.db2.gz CDAPXZUVKNOCOT-UHFFFAOYSA-N 1 2 343.427 3.962 20 0 EHADLO CC(C)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710575 1041782313 /nfs/dbraw/zinc/78/23/13/1041782313.db2.gz VJPOKAPCLZWOEQ-BLLLJJGKSA-N 1 2 348.878 3.609 20 0 EHADLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000660710575 1041782315 /nfs/dbraw/zinc/78/23/15/1041782315.db2.gz VJPOKAPCLZWOEQ-BLLLJJGKSA-N 1 2 348.878 3.609 20 0 EHADLO COC[C@@H](CC(C)(C)C)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000651659158 1041858061 /nfs/dbraw/zinc/85/80/61/1041858061.db2.gz XXEUWWFEMWPSMC-MRXNPFEDSA-N 1 2 331.460 3.825 20 0 EHADLO COc1cc(C[N@H+](C)[C@H]2CCCc3c(OC)ccc(Cl)c32)on1 ZINC000660920723 1041867906 /nfs/dbraw/zinc/86/79/06/1041867906.db2.gz VQGORKIRNCUOML-AWEZNQCLSA-N 1 2 336.819 3.855 20 0 EHADLO COc1cc(C[N@@H+](C)[C@H]2CCCc3c(OC)ccc(Cl)c32)on1 ZINC000660920723 1041867910 /nfs/dbraw/zinc/86/79/10/1041867910.db2.gz VQGORKIRNCUOML-AWEZNQCLSA-N 1 2 336.819 3.855 20 0 EHADLO COc1cc(C[NH2+]C2(c3ccccc3Br)CCC2)on1 ZINC000660910362 1041872392 /nfs/dbraw/zinc/87/23/92/1041872392.db2.gz FHMSFJRFZWNSSE-UHFFFAOYSA-N 1 2 337.217 3.615 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000796648576 1041951175 /nfs/dbraw/zinc/95/11/75/1041951175.db2.gz GCOYYAXEEZYLGO-VWYCJHECSA-N 1 2 342.377 3.510 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)c2cc(C)n(C)c2C)ccc1SC ZINC000531254946 1041979288 /nfs/dbraw/zinc/97/92/88/1041979288.db2.gz BIJLJNWQVFIKSO-UHFFFAOYSA-N 1 2 346.496 3.687 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)c2cc(C)n(C)c2C)ccc1SC ZINC000531254946 1041979292 /nfs/dbraw/zinc/97/92/92/1041979292.db2.gz BIJLJNWQVFIKSO-UHFFFAOYSA-N 1 2 346.496 3.687 20 0 EHADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c(C)n1 ZINC000164334348 1042019531 /nfs/dbraw/zinc/01/95/31/1042019531.db2.gz LIBWTLVXQYWOCN-MRXNPFEDSA-N 1 2 349.482 3.774 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@@H]2CCCC2(F)F)Cc2ccccc2C1 ZINC001167778566 1042112672 /nfs/dbraw/zinc/11/26/72/1042112672.db2.gz HKDXNYTXBQRWKD-INIZCTEOSA-N 1 2 337.410 3.502 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509948 1042163832 /nfs/dbraw/zinc/16/38/32/1042163832.db2.gz FFMXFLPPICCMGM-AUUYWEPGSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509948 1042163839 /nfs/dbraw/zinc/16/38/39/1042163839.db2.gz FFMXFLPPICCMGM-AUUYWEPGSA-N 1 2 344.405 3.931 20 0 EHADLO Oc1cc(F)cc(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000184140782 1042170262 /nfs/dbraw/zinc/17/02/62/1042170262.db2.gz BSJGEQUYCJHZGA-UHFFFAOYSA-N 1 2 328.156 3.723 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)c(F)c1 ZINC000164395833 1042171117 /nfs/dbraw/zinc/17/11/17/1042171117.db2.gz OKWUWWDZWVCFSU-GFCCVEGCSA-N 1 2 349.402 3.711 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534481 1042172508 /nfs/dbraw/zinc/17/25/08/1042172508.db2.gz DCDXJWCPLICVPP-QWHCGFSZSA-N 1 2 331.382 3.693 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534481 1042172511 /nfs/dbraw/zinc/17/25/11/1042172511.db2.gz DCDXJWCPLICVPP-QWHCGFSZSA-N 1 2 331.382 3.693 20 0 EHADLO COc1ncccc1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540283 1042175268 /nfs/dbraw/zinc/17/52/68/1042175268.db2.gz MZABQIPMJMBYGG-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1ncccc1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540283 1042175274 /nfs/dbraw/zinc/17/52/74/1042175274.db2.gz MZABQIPMJMBYGG-UHFFFAOYSA-N 1 2 337.448 3.772 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2cccnc2Cl)c(OC)c1 ZINC000164408198 1042180928 /nfs/dbraw/zinc/18/09/28/1042180928.db2.gz RFKWIPLPGVKNQM-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO CCC(C)(C)[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661559601 1042188757 /nfs/dbraw/zinc/18/87/57/1042188757.db2.gz PHQLGGZQLMWRLX-HOTGVXAUSA-N 1 2 346.519 3.933 20 0 EHADLO Cc1cccnc1C[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644411 1042234225 /nfs/dbraw/zinc/23/42/25/1042234225.db2.gz SFBHPCMCOVLTEB-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cccnc1C[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644411 1042234231 /nfs/dbraw/zinc/23/42/31/1042234231.db2.gz SFBHPCMCOVLTEB-OAHLLOKOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cccnc1C[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644410 1042234602 /nfs/dbraw/zinc/23/46/02/1042234602.db2.gz SFBHPCMCOVLTEB-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cccnc1C[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644410 1042234606 /nfs/dbraw/zinc/23/46/06/1042234606.db2.gz SFBHPCMCOVLTEB-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccccc2OC(C)C)c1 ZINC000596077192 1042261015 /nfs/dbraw/zinc/26/10/15/1042261015.db2.gz MOGFHEDZBVTPMW-AWEZNQCLSA-N 1 2 328.412 3.757 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccccc1Br ZINC001207534180 1042316400 /nfs/dbraw/zinc/31/64/00/1042316400.db2.gz QOYDWQIBWSVEKX-LBPRGKRZSA-N 1 2 342.277 3.654 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccccc1Br ZINC001207534180 1042316407 /nfs/dbraw/zinc/31/64/07/1042316407.db2.gz QOYDWQIBWSVEKX-LBPRGKRZSA-N 1 2 342.277 3.654 20 0 EHADLO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473150624 1042355123 /nfs/dbraw/zinc/35/51/23/1042355123.db2.gz HNCDXHPYJWEDPR-OAHLLOKOSA-N 1 2 348.437 3.845 20 0 EHADLO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473150624 1042355128 /nfs/dbraw/zinc/35/51/28/1042355128.db2.gz HNCDXHPYJWEDPR-OAHLLOKOSA-N 1 2 348.437 3.845 20 0 EHADLO CC(C)C[C@H](c1nc([C@H]2CCOC3(CCC3)C2)no1)n1cc[nH+]c1 ZINC000924174981 1042382766 /nfs/dbraw/zinc/38/27/66/1042382766.db2.gz WBTMXVXLOBZILR-LSDHHAIUSA-N 1 2 330.432 3.718 20 0 EHADLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661951188 1042427692 /nfs/dbraw/zinc/42/76/92/1042427692.db2.gz JQWBJJKAGWHXSN-UHFFFAOYSA-N 1 2 342.483 3.758 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000661984983 1042443523 /nfs/dbraw/zinc/44/35/23/1042443523.db2.gz DFIGTCLAVRFWEA-WMZOPIPTSA-N 1 2 344.503 3.543 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998400 1042455831 /nfs/dbraw/zinc/45/58/31/1042455831.db2.gz WHBCHRJIAIBDHE-UHFFFAOYSA-N 1 2 342.483 3.640 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661998400 1042455833 /nfs/dbraw/zinc/45/58/33/1042455833.db2.gz WHBCHRJIAIBDHE-UHFFFAOYSA-N 1 2 342.483 3.640 20 0 EHADLO C[C@@H](Cc1nc(C2(c3cccc(F)c3)CCC2)no1)n1cc[nH+]c1 ZINC000924185424 1042474005 /nfs/dbraw/zinc/47/40/05/1042474005.db2.gz GWFFFDAYVUKZAE-ZDUSSCGKSA-N 1 2 326.375 3.679 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(F)(F)C(C)(C)C ZINC000662103250 1042524548 /nfs/dbraw/zinc/52/45/48/1042524548.db2.gz ULBNBQIACDAIHA-UHFFFAOYSA-N 1 2 344.450 3.549 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1cc(C(C)(C)C)on1 ZINC000662204473 1042589132 /nfs/dbraw/zinc/58/91/32/1042589132.db2.gz JRAZEEOTFNLPBU-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1cc(C(C)(C)C)on1 ZINC000662204473 1042589134 /nfs/dbraw/zinc/58/91/34/1042589134.db2.gz JRAZEEOTFNLPBU-UHFFFAOYSA-N 1 2 332.444 3.882 20 0 EHADLO C[C@H](C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000662235913 1042622735 /nfs/dbraw/zinc/62/27/35/1042622735.db2.gz AHCHSGDJOUNXGT-CYBMUJFWSA-N 1 2 332.879 3.848 20 0 EHADLO C[C@H](C[N@H+]1CCn2c(nnc2C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000662235913 1042622737 /nfs/dbraw/zinc/62/27/37/1042622737.db2.gz AHCHSGDJOUNXGT-CYBMUJFWSA-N 1 2 332.879 3.848 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H](CC(F)(F)F)O1 ZINC000662242008 1042627918 /nfs/dbraw/zinc/62/79/18/1042627918.db2.gz KTCHMUJFMSGPEA-WCQYABFASA-N 1 2 342.336 3.916 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H](CC(F)(F)F)O1 ZINC000662242008 1042627921 /nfs/dbraw/zinc/62/79/21/1042627921.db2.gz KTCHMUJFMSGPEA-WCQYABFASA-N 1 2 342.336 3.916 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662244791 1042631938 /nfs/dbraw/zinc/63/19/38/1042631938.db2.gz VJAJHKDCHAZGPZ-KBPBESRZSA-N 1 2 347.377 3.506 20 0 EHADLO CCOc1ccccc1OCC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662244791 1042631941 /nfs/dbraw/zinc/63/19/41/1042631941.db2.gz VJAJHKDCHAZGPZ-KBPBESRZSA-N 1 2 347.377 3.506 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+](C)Cc2ccsc2)cn1 ZINC000644832485 1042632292 /nfs/dbraw/zinc/63/22/92/1042632292.db2.gz XYMITKGORPTYBO-UHFFFAOYSA-N 1 2 325.437 3.846 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+](C)Cc2ccsc2)cn1 ZINC000644832485 1042632296 /nfs/dbraw/zinc/63/22/96/1042632296.db2.gz XYMITKGORPTYBO-UHFFFAOYSA-N 1 2 325.437 3.846 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1C ZINC000161633193 1042675041 /nfs/dbraw/zinc/67/50/41/1042675041.db2.gz CIZRVDWXDGWGOM-UHFFFAOYSA-N 1 2 341.411 3.895 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1C ZINC000161633193 1042675043 /nfs/dbraw/zinc/67/50/43/1042675043.db2.gz CIZRVDWXDGWGOM-UHFFFAOYSA-N 1 2 341.411 3.895 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(OC)c1OC ZINC000162051821 1042704037 /nfs/dbraw/zinc/70/40/37/1042704037.db2.gz IHLVVRYBWWACEI-UHFFFAOYSA-N 1 2 329.375 3.825 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000162539565 1042737204 /nfs/dbraw/zinc/73/72/04/1042737204.db2.gz REZXNNOSESLOIZ-INIZCTEOSA-N 1 2 326.400 3.925 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000162539565 1042737209 /nfs/dbraw/zinc/73/72/09/1042737209.db2.gz REZXNNOSESLOIZ-INIZCTEOSA-N 1 2 326.400 3.925 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)[nH+]cn2)CC1 ZINC000663359418 1042753946 /nfs/dbraw/zinc/75/39/46/1042753946.db2.gz GPEGDVZUXABYFC-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)nc[nH+]2)CC1 ZINC000663359418 1042753953 /nfs/dbraw/zinc/75/39/53/1042753953.db2.gz GPEGDVZUXABYFC-YESZJQIVSA-N 1 2 344.503 3.599 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1Cl ZINC000278886396 1042838300 /nfs/dbraw/zinc/83/83/00/1042838300.db2.gz DBLRTNBRIAYFHM-UHFFFAOYSA-N 1 2 347.821 3.713 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2CC)cc1OC ZINC000278891207 1042847740 /nfs/dbraw/zinc/84/77/40/1042847740.db2.gz QGWYGEHPCSXKGY-OAHLLOKOSA-N 1 2 346.475 3.726 20 0 EHADLO Cc1nonc1[C@@H](C)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000925778801 1042908039 /nfs/dbraw/zinc/90/80/39/1042908039.db2.gz FAZUYAVEXUFECJ-SNVBAGLBSA-N 1 2 336.233 3.871 20 0 EHADLO COC(=O)[C@H]1CC[C@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)CC1 ZINC001167830408 1042985462 /nfs/dbraw/zinc/98/54/62/1042985462.db2.gz HIMWVGJPFUGACU-MGCOHNPYSA-N 1 2 341.333 3.725 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(Cc2cccc(F)c2)no1 ZINC000278934207 1042988870 /nfs/dbraw/zinc/98/88/70/1042988870.db2.gz WOTSAUZZMDAXSP-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000007285410 1043036031 /nfs/dbraw/zinc/03/60/31/1043036031.db2.gz OZKYYDDWPPWANJ-CYBMUJFWSA-N 1 2 339.464 3.884 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000007285410 1043036036 /nfs/dbraw/zinc/03/60/36/1043036036.db2.gz OZKYYDDWPPWANJ-CYBMUJFWSA-N 1 2 339.464 3.884 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000544664125 1043038851 /nfs/dbraw/zinc/03/88/51/1043038851.db2.gz CLFLTNLCYUHYSN-KRWDZBQOSA-N 1 2 326.444 3.737 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)cc1 ZINC000007346958 1043039007 /nfs/dbraw/zinc/03/90/07/1043039007.db2.gz DMKBKSULTPZTCI-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO Cc1cc(-c2nnc(C[N@@H+](C)Cc3ccccc3N(C)C)o2)c(C)o1 ZINC000344076627 1043212236 /nfs/dbraw/zinc/21/22/36/1043212236.db2.gz VICSUPAGSNQZAG-UHFFFAOYSA-N 1 2 340.427 3.644 20 0 EHADLO Cc1cc(-c2nnc(C[N@H+](C)Cc3ccccc3N(C)C)o2)c(C)o1 ZINC000344076627 1043212245 /nfs/dbraw/zinc/21/22/45/1043212245.db2.gz VICSUPAGSNQZAG-UHFFFAOYSA-N 1 2 340.427 3.644 20 0 EHADLO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279068180 1043301132 /nfs/dbraw/zinc/30/11/32/1043301132.db2.gz ZWAVTHFXHLOWCV-NXEZZACHSA-N 1 2 337.411 3.507 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000663664665 1043359008 /nfs/dbraw/zinc/35/90/08/1043359008.db2.gz YSFVGLSVGVJIRK-DJJJIMSYSA-N 1 2 337.398 3.923 20 0 EHADLO Cn1c[nH+]c2cc(Nc3nc(C4CC4)ncc3Br)ccc21 ZINC000663675196 1043476532 /nfs/dbraw/zinc/47/65/32/1043476532.db2.gz PIUFYVARCQZOOZ-UHFFFAOYSA-N 1 2 344.216 3.747 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3ccc4ccccc4n3)cc2[nH+]1 ZINC000344258496 1043537403 /nfs/dbraw/zinc/53/74/03/1043537403.db2.gz IPWABTAFRMUVIP-UHFFFAOYSA-N 1 2 330.391 3.991 20 0 EHADLO O=C1[C@H]([N@@H+]2CCCc3occc3C2)CCN1c1ccc(Cl)c(F)c1 ZINC000344266904 1043557395 /nfs/dbraw/zinc/55/73/95/1043557395.db2.gz LSFDKTDRZFUREM-MRXNPFEDSA-N 1 2 348.805 3.626 20 0 EHADLO O=C1[C@H]([N@H+]2CCCc3occc3C2)CCN1c1ccc(Cl)c(F)c1 ZINC000344266904 1043557405 /nfs/dbraw/zinc/55/74/05/1043557405.db2.gz LSFDKTDRZFUREM-MRXNPFEDSA-N 1 2 348.805 3.626 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCCc3occc3C2)CCCN1c1ccccc1Cl ZINC000344294319 1043608820 /nfs/dbraw/zinc/60/88/20/1043608820.db2.gz UGCQUKWFMCESAA-KRWDZBQOSA-N 1 2 344.842 3.877 20 0 EHADLO O=C1[C@@H]([N@H+]2CCCc3occc3C2)CCCN1c1ccccc1Cl ZINC000344294319 1043608830 /nfs/dbraw/zinc/60/88/30/1043608830.db2.gz UGCQUKWFMCESAA-KRWDZBQOSA-N 1 2 344.842 3.877 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)Nc1ccc2[nH+]ccn2c1 ZINC000606581354 1043706728 /nfs/dbraw/zinc/70/67/28/1043706728.db2.gz ZUTNYOPTGNPBPI-UHFFFAOYSA-N 1 2 330.391 3.852 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H](c2ccsc2)O1 ZINC000663716809 1043801999 /nfs/dbraw/zinc/80/19/99/1043801999.db2.gz OGIJVELBQLSBMU-SJKOYZFVSA-N 1 2 325.437 3.845 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccsc1)Cc1ccccc1 ZINC000279319887 1043926802 /nfs/dbraw/zinc/92/68/02/1043926802.db2.gz FXYKWHBITKEJPI-KRWDZBQOSA-N 1 2 335.494 3.500 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccsc1)Cc1ccccc1 ZINC000279319887 1043926810 /nfs/dbraw/zinc/92/68/10/1043926810.db2.gz FXYKWHBITKEJPI-KRWDZBQOSA-N 1 2 335.494 3.500 20 0 EHADLO Cc1ccccc1C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC000279383374 1044017793 /nfs/dbraw/zinc/01/77/93/1044017793.db2.gz IBXRFUHLCNDBON-UHFFFAOYSA-N 1 2 325.456 3.669 20 0 EHADLO O=C(C1=CCCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279456614 1044094983 /nfs/dbraw/zinc/09/49/83/1044094983.db2.gz FAGFPDAWSHUHCS-UHFFFAOYSA-N 1 2 327.472 3.816 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000279453812 1044102294 /nfs/dbraw/zinc/10/22/94/1044102294.db2.gz OHQNJNSFQPAPIH-UHFFFAOYSA-N 1 2 343.374 3.862 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000279455780 1044103910 /nfs/dbraw/zinc/10/39/10/1044103910.db2.gz OJWUDCAKVUYBFA-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO Cc1cnc([C@H]([NH2+]Cc2ccc(Br)cn2)C2CC2)s1 ZINC000344546643 1044115709 /nfs/dbraw/zinc/11/57/09/1044115709.db2.gz UXXYCARROCEPJD-CYBMUJFWSA-N 1 2 338.274 3.850 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(Br)s2)s1 ZINC000344641850 1044220205 /nfs/dbraw/zinc/22/02/05/1044220205.db2.gz OYFRTQJWSOIRON-UHFFFAOYSA-N 1 2 346.319 3.949 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648271 1044364845 /nfs/dbraw/zinc/36/48/45/1044364845.db2.gz BJWPOYHDBMAJQI-CLCXKQKWSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648271 1044364861 /nfs/dbraw/zinc/36/48/61/1044364861.db2.gz BJWPOYHDBMAJQI-CLCXKQKWSA-N 1 2 344.480 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)c(C)c1 ZINC000512244728 1044366836 /nfs/dbraw/zinc/36/68/36/1044366836.db2.gz OOGBXHZWWYLXHG-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCOc3ccc(C)cc3C2)c(C)c1 ZINC000512244728 1044366849 /nfs/dbraw/zinc/36/68/49/1044366849.db2.gz OOGBXHZWWYLXHG-KRWDZBQOSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc[nH+]1 ZINC000010165166 1044463849 /nfs/dbraw/zinc/46/38/49/1044463849.db2.gz GRGPMMHYANAIMT-UHFFFAOYSA-N 1 2 342.786 3.665 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(CCC1CC1)CC1CC1 ZINC000663799095 1044715628 /nfs/dbraw/zinc/71/56/28/1044715628.db2.gz YKCVQJIDYPETMG-UHFFFAOYSA-N 1 2 338.455 3.594 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1occc1C)Cc1ccccc1Cl ZINC000345011095 1044832123 /nfs/dbraw/zinc/83/21/23/1044832123.db2.gz KVFOBAOBCOCIKA-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1occc1C)Cc1ccccc1Cl ZINC000345011095 1044832150 /nfs/dbraw/zinc/83/21/50/1044832150.db2.gz KVFOBAOBCOCIKA-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO CC(C)c1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000620410690 1125566477 /nfs/dbraw/zinc/56/64/77/1125566477.db2.gz GSFZFPQDIXMESQ-UHFFFAOYSA-N 1 2 325.456 3.978 20 0 EHADLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cccnc1 ZINC000620645470 1125619817 /nfs/dbraw/zinc/61/98/17/1125619817.db2.gz KLOGNJHHKXMMIQ-JTQLQIEISA-N 1 2 348.328 3.600 20 0 EHADLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000153568811 1125632038 /nfs/dbraw/zinc/63/20/38/1125632038.db2.gz NEQFVRJFRNIRFH-CQSZACIVSA-N 1 2 348.878 3.967 20 0 EHADLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000153568811 1125632045 /nfs/dbraw/zinc/63/20/45/1125632045.db2.gz NEQFVRJFRNIRFH-CQSZACIVSA-N 1 2 348.878 3.967 20 0 EHADLO Cc1cccc(-c2noc(C[N@H+](C)CCOCc3ccccc3)n2)c1 ZINC000154630568 1125738720 /nfs/dbraw/zinc/73/87/20/1125738720.db2.gz YLSFUUWYANLZEI-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO Cc1cccc(-c2noc(C[N@@H+](C)CCOCc3ccccc3)n2)c1 ZINC000154630568 1125738723 /nfs/dbraw/zinc/73/87/23/1125738723.db2.gz YLSFUUWYANLZEI-UHFFFAOYSA-N 1 2 337.423 3.694 20 0 EHADLO CCc1cnccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000154834306 1125759214 /nfs/dbraw/zinc/75/92/14/1125759214.db2.gz XCCUYFGWURPVJP-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cnccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000154834306 1125759220 /nfs/dbraw/zinc/75/92/20/1125759220.db2.gz XCCUYFGWURPVJP-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CC(C)Cn1cc(C(=O)N(C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000154931407 1125767857 /nfs/dbraw/zinc/76/78/57/1125767857.db2.gz RMCCEGICAHDPNA-UHFFFAOYSA-N 1 2 338.455 3.656 20 0 EHADLO Cc1nnsc1[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000929325756 1129755488 /nfs/dbraw/zinc/75/54/88/1129755488.db2.gz LKSBBZZXTILCIJ-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1nnsc1[C@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000929325756 1129755489 /nfs/dbraw/zinc/75/54/89/1129755489.db2.gz LKSBBZZXTILCIJ-JTQLQIEISA-N 1 2 326.263 3.802 20 0 EHADLO Cc1c(F)cccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000622546332 1126715473 /nfs/dbraw/zinc/71/54/73/1126715473.db2.gz RJPFBSDRKCTUJJ-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1c(F)cccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000622546332 1126715477 /nfs/dbraw/zinc/71/54/77/1126715477.db2.gz RJPFBSDRKCTUJJ-UHFFFAOYSA-N 1 2 346.833 3.576 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2cc(C(C)C)ccc2C)c[nH+]1 ZINC000622667596 1126738891 /nfs/dbraw/zinc/73/88/91/1126738891.db2.gz MGFJSFBCSZNRCU-UHFFFAOYSA-N 1 2 326.440 3.825 20 0 EHADLO COc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)cc1O ZINC000171134370 1126752883 /nfs/dbraw/zinc/75/28/83/1126752883.db2.gz XFUFOMCUTFJXLB-UHFFFAOYSA-N 1 2 332.450 3.876 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@H+](C)C(C)(C)c2ccccc2)cs1 ZINC000671246899 1126816922 /nfs/dbraw/zinc/81/69/22/1126816922.db2.gz SMAGDMAIUKNMBM-UHFFFAOYSA-N 1 2 331.485 3.883 20 0 EHADLO CCN(C(C)=O)c1nc(C[N@@H+](C)C(C)(C)c2ccccc2)cs1 ZINC000671246899 1126816925 /nfs/dbraw/zinc/81/69/25/1126816925.db2.gz SMAGDMAIUKNMBM-UHFFFAOYSA-N 1 2 331.485 3.883 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)s1 ZINC000337310851 1126821561 /nfs/dbraw/zinc/82/15/61/1126821561.db2.gz BNZUTFAJRYEBGM-SECBINFHSA-N 1 2 326.263 3.768 20 0 EHADLO Cc1csc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000173187569 1126825549 /nfs/dbraw/zinc/82/55/49/1126825549.db2.gz JAJWCJXRXSGEJR-UHFFFAOYSA-N 1 2 341.480 3.508 20 0 EHADLO Cc1csc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000173187569 1126825551 /nfs/dbraw/zinc/82/55/51/1126825551.db2.gz JAJWCJXRXSGEJR-UHFFFAOYSA-N 1 2 341.480 3.508 20 0 EHADLO Oc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1Cl ZINC000339180666 1126841091 /nfs/dbraw/zinc/84/10/91/1126841091.db2.gz CCOJDHDOWGROMM-UHFFFAOYSA-N 1 2 327.815 3.580 20 0 EHADLO Brc1cccc(-c2ccc(C[NH2+]Cc3cc[nH]n3)o2)c1 ZINC000174366837 1126852433 /nfs/dbraw/zinc/85/24/33/1126852433.db2.gz SPNNLZCRAWOVGH-UHFFFAOYSA-N 1 2 332.201 3.722 20 0 EHADLO C[N@H+](CC(=O)N1CCCC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000671304163 1126893017 /nfs/dbraw/zinc/89/30/17/1126893017.db2.gz GBIGDNMNJDYXKL-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000671304163 1126893020 /nfs/dbraw/zinc/89/30/20/1126893020.db2.gz GBIGDNMNJDYXKL-UHFFFAOYSA-N 1 2 349.887 3.518 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000623233707 1126900415 /nfs/dbraw/zinc/90/04/15/1126900415.db2.gz JHTHZKZVEHDTRG-ICSRJNTNSA-N 1 2 348.446 3.736 20 0 EHADLO CCCCc1nc2cc(NC(=O)CCCn3cc[nH+]c3)ccc2[nH]1 ZINC000623278616 1126908646 /nfs/dbraw/zinc/90/86/46/1126908646.db2.gz NJFWTWVJAFGKNE-UHFFFAOYSA-N 1 2 325.416 3.521 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301821 1126911016 /nfs/dbraw/zinc/91/10/16/1126911016.db2.gz UKKXOIUZSHFUOB-ZBZXYNRHSA-N 1 2 343.515 3.947 20 0 EHADLO COc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)ccc1Cl ZINC000623442599 1126956854 /nfs/dbraw/zinc/95/68/54/1126956854.db2.gz WEVGPMBSGICTHW-JTQLQIEISA-N 1 2 326.849 3.802 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000623486966 1126965316 /nfs/dbraw/zinc/96/53/16/1126965316.db2.gz ORQUGDAREPMCRN-QGZVFWFLSA-N 1 2 346.862 3.694 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+]Cc3cc(C)c(Br)cn3)nc21 ZINC000623478242 1126967935 /nfs/dbraw/zinc/96/79/35/1126967935.db2.gz FGOADZNSQIMMJF-UHFFFAOYSA-N 1 2 345.244 3.627 20 0 EHADLO Cc1ccc([C@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC000177196065 1126978755 /nfs/dbraw/zinc/97/87/55/1126978755.db2.gz PXBPTMOQBUAQFY-MSOLQXFVSA-N 1 2 346.833 3.697 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cc(C)cc(C)c2)c1C ZINC000178281114 1127014736 /nfs/dbraw/zinc/01/47/36/1127014736.db2.gz GXSKFEYOPSAKEW-UHFFFAOYSA-N 1 2 340.467 3.915 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cncc(Br)c2)n1 ZINC000178688273 1127024895 /nfs/dbraw/zinc/02/48/95/1127024895.db2.gz GTMJAKVMGHYSJX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cncc(Br)c2)n1 ZINC000178688273 1127024897 /nfs/dbraw/zinc/02/48/97/1127024897.db2.gz GTMJAKVMGHYSJX-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C)c2Cl)c1C ZINC000179016283 1127042392 /nfs/dbraw/zinc/04/23/92/1127042392.db2.gz DLLPOOXPGGGJJY-UHFFFAOYSA-N 1 2 332.831 3.941 20 0 EHADLO CO[C@@H]1CCC[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349668166 1127046504 /nfs/dbraw/zinc/04/65/04/1127046504.db2.gz KPVCCNRMDWVUGU-DLBZAZTESA-N 1 2 338.411 3.654 20 0 EHADLO CC1(C)CCC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000179254698 1127053643 /nfs/dbraw/zinc/05/36/43/1127053643.db2.gz QVISHNIBXKAFBS-GOSISDBHSA-N 1 2 339.483 3.807 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361867 1127059625 /nfs/dbraw/zinc/05/96/25/1127059625.db2.gz XPMATQABRHRQQC-KNXALSJPSA-N 1 2 326.843 3.633 20 0 EHADLO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179361867 1127059630 /nfs/dbraw/zinc/05/96/30/1127059630.db2.gz XPMATQABRHRQQC-KNXALSJPSA-N 1 2 326.843 3.633 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccn3cc[nH+]c3c1)CCC2 ZINC000179482949 1127066915 /nfs/dbraw/zinc/06/69/15/1127066915.db2.gz KSKRUHNFSHDPFU-GOSISDBHSA-N 1 2 334.423 3.520 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C(C)(C)C)n1 ZINC000179707229 1127082727 /nfs/dbraw/zinc/08/27/27/1127082727.db2.gz ODERBPLADWUDBO-KRWDZBQOSA-N 1 2 347.890 3.945 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C(C)(C)C)n1 ZINC000179707229 1127082729 /nfs/dbraw/zinc/08/27/29/1127082729.db2.gz ODERBPLADWUDBO-KRWDZBQOSA-N 1 2 347.890 3.945 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179937701 1127101893 /nfs/dbraw/zinc/10/18/93/1127101893.db2.gz PLPICQAXFFJBMS-AWEZNQCLSA-N 1 2 344.430 3.994 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000083112616 1127198085 /nfs/dbraw/zinc/19/80/85/1127198085.db2.gz VOCMWIJYGXBBMW-KRWDZBQOSA-N 1 2 330.497 3.527 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000083112616 1127198087 /nfs/dbraw/zinc/19/80/87/1127198087.db2.gz VOCMWIJYGXBBMW-KRWDZBQOSA-N 1 2 330.497 3.527 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc(C)sc1C ZINC000624009077 1127231556 /nfs/dbraw/zinc/23/15/56/1127231556.db2.gz OFJNHPMKDCEGES-LSDHHAIUSA-N 1 2 334.489 3.966 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1C(F)(F)F ZINC000624010115 1127232580 /nfs/dbraw/zinc/23/25/80/1127232580.db2.gz IIVLVFZHDWGXNH-MWODSPESSA-N 1 2 328.313 3.793 20 0 EHADLO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000624147254 1127258289 /nfs/dbraw/zinc/25/82/89/1127258289.db2.gz XYGJDSOQFKOOQK-GUDVDZBRSA-N 1 2 342.487 3.858 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC34CCCCC4)cn2c1 ZINC000181309242 1127273393 /nfs/dbraw/zinc/27/33/93/1127273393.db2.gz BUDXQGLYAFVRCZ-INIZCTEOSA-N 1 2 343.496 3.715 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000181653378 1127287853 /nfs/dbraw/zinc/28/78/53/1127287853.db2.gz QAFIWLRYCKUSHR-QGZVFWFLSA-N 1 2 326.371 3.958 20 0 EHADLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1F ZINC000182887639 1127352687 /nfs/dbraw/zinc/35/26/87/1127352687.db2.gz PKQPOTQZPSPUTQ-QGZVFWFLSA-N 1 2 333.382 3.760 20 0 EHADLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1csc2ccccc12 ZINC000182981604 1127356988 /nfs/dbraw/zinc/35/69/88/1127356988.db2.gz LCWZQLVBHBYQTN-UHFFFAOYSA-N 1 2 349.463 3.568 20 0 EHADLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1csc2ccccc12 ZINC000182981604 1127356992 /nfs/dbraw/zinc/35/69/92/1127356992.db2.gz LCWZQLVBHBYQTN-UHFFFAOYSA-N 1 2 349.463 3.568 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000183922778 1127389773 /nfs/dbraw/zinc/38/97/73/1127389773.db2.gz IXUQCAZFCDIZFD-UHFFFAOYSA-N 1 2 338.860 3.916 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183936450 1127390227 /nfs/dbraw/zinc/39/02/27/1127390227.db2.gz XZHFBGZRMGJLSU-MNOVXSKESA-N 1 2 326.491 3.576 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)c2nccs2)n1 ZINC000183936450 1127390230 /nfs/dbraw/zinc/39/02/30/1127390230.db2.gz XZHFBGZRMGJLSU-MNOVXSKESA-N 1 2 326.491 3.576 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1nc(C(C)(C)C)cs1 ZINC000184480402 1127405892 /nfs/dbraw/zinc/40/58/92/1127405892.db2.gz IRRJPJOKQXGRED-NSHDSACASA-N 1 2 335.448 3.869 20 0 EHADLO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184475464 1127406117 /nfs/dbraw/zinc/40/61/17/1127406117.db2.gz RZFVXQQHJCISLC-CQSZACIVSA-N 1 2 345.512 3.716 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000184488047 1127406704 /nfs/dbraw/zinc/40/67/04/1127406704.db2.gz JOXJTCBCVCBJBZ-IHRRRGAJSA-N 1 2 337.533 3.881 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C)c1ccco1 ZINC000184608819 1127409940 /nfs/dbraw/zinc/40/99/40/1127409940.db2.gz BJXRMCYLBSXTJJ-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO c1c[nH]c([C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc2)n1 ZINC000185208815 1127422387 /nfs/dbraw/zinc/42/23/87/1127422387.db2.gz IKOVCJRLWOYFIQ-HXUWFJFHSA-N 1 2 347.466 3.674 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1nccs1 ZINC000185104457 1127420413 /nfs/dbraw/zinc/42/04/13/1127420413.db2.gz KDYICKLJTJJPEX-ZBFHGGJFSA-N 1 2 331.485 3.678 20 0 EHADLO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000194852053 1127469101 /nfs/dbraw/zinc/46/91/01/1127469101.db2.gz IMRHNDOEHHQHFH-LJQANCHMSA-N 1 2 349.475 3.529 20 0 EHADLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000194852053 1127469102 /nfs/dbraw/zinc/46/91/02/1127469102.db2.gz IMRHNDOEHHQHFH-LJQANCHMSA-N 1 2 349.475 3.529 20 0 EHADLO COc1cccc(C)c1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000194967597 1127470847 /nfs/dbraw/zinc/47/08/47/1127470847.db2.gz SPBDNNCZXUBSEI-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764284806 1127473754 /nfs/dbraw/zinc/47/37/54/1127473754.db2.gz ORCTXZBOJPWKPD-PMACEKPBSA-N 1 2 341.451 3.655 20 0 EHADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764284806 1127473756 /nfs/dbraw/zinc/47/37/56/1127473756.db2.gz ORCTXZBOJPWKPD-PMACEKPBSA-N 1 2 341.451 3.655 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCC=C2 ZINC000764508718 1127501078 /nfs/dbraw/zinc/50/10/78/1127501078.db2.gz POWDCHWJHAYXPI-UHFFFAOYSA-N 1 2 329.403 3.762 20 0 EHADLO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(F)C(F)(F)F ZINC000764506598 1127501185 /nfs/dbraw/zinc/50/11/85/1127501185.db2.gz JVJCAIJFYOQIHZ-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H](F)C(F)(F)F ZINC000764506598 1127501188 /nfs/dbraw/zinc/50/11/88/1127501188.db2.gz JVJCAIJFYOQIHZ-HNNXBMFYSA-N 1 2 346.368 3.579 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764811246 1127537277 /nfs/dbraw/zinc/53/72/77/1127537277.db2.gz XUHVTMKOGGHVLH-MGPUTAFESA-N 1 2 333.435 3.795 20 0 EHADLO COc1ccc([C@H](C)OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000764893759 1127549193 /nfs/dbraw/zinc/54/91/93/1127549193.db2.gz YMTFGFOPGXUFJG-CVEARBPZSA-N 1 2 339.435 3.746 20 0 EHADLO COc1ccc([C@H](C)OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000764893759 1127549195 /nfs/dbraw/zinc/54/91/95/1127549195.db2.gz YMTFGFOPGXUFJG-CVEARBPZSA-N 1 2 339.435 3.746 20 0 EHADLO C[C@H]1CC[N@H+](Cn2nc(C(C)(C)C)ccc2=O)CC12CCCCC2 ZINC000764956391 1127557293 /nfs/dbraw/zinc/55/72/93/1127557293.db2.gz SVCXWBRJHKFORV-INIZCTEOSA-N 1 2 331.504 3.791 20 0 EHADLO C[C@H]1CC[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)CC12CCCCC2 ZINC000764956391 1127557297 /nfs/dbraw/zinc/55/72/97/1127557297.db2.gz SVCXWBRJHKFORV-INIZCTEOSA-N 1 2 331.504 3.791 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(Sc2[nH+]cc3ccccn32)CC1 ZINC000764991423 1127561060 /nfs/dbraw/zinc/56/10/60/1127561060.db2.gz WMCYKRLTKAVUIW-UHFFFAOYSA-N 1 2 333.457 3.826 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)CC1 ZINC000765014144 1127562906 /nfs/dbraw/zinc/56/29/06/1127562906.db2.gz PTWAAZGRVHAVCR-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)CC1 ZINC000765014144 1127562907 /nfs/dbraw/zinc/56/29/07/1127562907.db2.gz PTWAAZGRVHAVCR-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)[C@H](C)C2(C)CC2)nc1-c1cccnc1 ZINC000765069449 1127570022 /nfs/dbraw/zinc/57/00/22/1127570022.db2.gz YGXUWPOTJMMMPG-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)[C@H](C)C2(C)CC2)nc1-c1cccnc1 ZINC000765069449 1127570025 /nfs/dbraw/zinc/57/00/25/1127570025.db2.gz YGXUWPOTJMMMPG-CYBMUJFWSA-N 1 2 331.489 3.574 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cncs1 ZINC000765437465 1127611341 /nfs/dbraw/zinc/61/13/41/1127611341.db2.gz MLBRQOYTBBTJIZ-RHSMWYFYSA-N 1 2 329.469 3.548 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1Cl ZINC000010141511 1127628793 /nfs/dbraw/zinc/62/87/93/1127628793.db2.gz CRKLKEOSDLUJMG-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1Cl ZINC000010141511 1127628795 /nfs/dbraw/zinc/62/87/95/1127628795.db2.gz CRKLKEOSDLUJMG-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750005284 1127648057 /nfs/dbraw/zinc/64/80/57/1127648057.db2.gz CVCAXQNRQBGVJC-UHFFFAOYSA-N 1 2 327.359 3.902 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](C)Cc3sccc3C)n2)cc1 ZINC000015312019 1127652604 /nfs/dbraw/zinc/65/26/04/1127652604.db2.gz VAFQLHBVZFJHRH-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3sccc3C)n2)cc1 ZINC000015312019 1127652605 /nfs/dbraw/zinc/65/26/05/1127652605.db2.gz VAFQLHBVZFJHRH-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000015547358 1127655339 /nfs/dbraw/zinc/65/53/39/1127655339.db2.gz PYERNPRQYFNBEH-AWEZNQCLSA-N 1 2 345.493 3.635 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000015547358 1127655341 /nfs/dbraw/zinc/65/53/41/1127655341.db2.gz PYERNPRQYFNBEH-AWEZNQCLSA-N 1 2 345.493 3.635 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C)ccc1OC ZINC000016355856 1127661738 /nfs/dbraw/zinc/66/17/38/1127661738.db2.gz MPLLUIKYQFSURS-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C)ccc1OC ZINC000016355856 1127661740 /nfs/dbraw/zinc/66/17/40/1127661740.db2.gz MPLLUIKYQFSURS-UHFFFAOYSA-N 1 2 326.440 3.637 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2c1 ZINC000024752194 1127710690 /nfs/dbraw/zinc/71/06/90/1127710690.db2.gz MCCICTIUKCKKPM-UHFFFAOYSA-N 1 2 344.418 3.651 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000765667039 1127720333 /nfs/dbraw/zinc/72/03/33/1127720333.db2.gz FLZAMCSIDUZIJR-LZCIBIBXSA-N 1 2 336.439 3.609 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000765667041 1127720403 /nfs/dbraw/zinc/72/04/03/1127720403.db2.gz FLZAMCSIDUZIJR-YEODSOHDSA-N 1 2 336.439 3.609 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000624280363 1127750723 /nfs/dbraw/zinc/75/07/23/1127750723.db2.gz DRCZCNBXEJKKSK-VQTJNVASSA-N 1 2 349.478 3.800 20 0 EHADLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000027483876 1127780944 /nfs/dbraw/zinc/78/09/44/1127780944.db2.gz XRQRVUZZKCTDFT-UHFFFAOYSA-N 1 2 347.462 3.568 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000029907965 1127810763 /nfs/dbraw/zinc/81/07/63/1127810763.db2.gz VHYNPLKEYVGSOG-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000030603433 1127822738 /nfs/dbraw/zinc/82/27/38/1127822738.db2.gz HPRVFSHSKIGLMA-HXUWFJFHSA-N 1 2 331.419 3.720 20 0 EHADLO Cc1ccc(-c2nc(CN3CC[NH+](Cc4ccco4)CC3)cs2)o1 ZINC000042122494 1127887141 /nfs/dbraw/zinc/88/71/41/1127887141.db2.gz NTAIAWFKJROOQG-UHFFFAOYSA-N 1 2 343.452 3.622 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000044339412 1127935461 /nfs/dbraw/zinc/93/54/61/1127935461.db2.gz TXRCGCPHNKTZOY-UHFFFAOYSA-N 1 2 342.508 3.724 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(C(F)(F)F)cc1 ZINC000046945070 1127995540 /nfs/dbraw/zinc/99/55/40/1127995540.db2.gz SYMMYOSWWSBXBQ-UHFFFAOYSA-N 1 2 338.333 3.724 20 0 EHADLO CC(=O)c1cc(Cl)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212361938 1127995937 /nfs/dbraw/zinc/99/59/37/1127995937.db2.gz DGDHGQPXNWBQEC-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2cncc(-c3cccs3)n2)c1C ZINC000338659602 1128007291 /nfs/dbraw/zinc/00/72/91/1128007291.db2.gz QYCVOYHEXPPKAN-UHFFFAOYSA-N 1 2 340.452 3.862 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000282191251 1128054184 /nfs/dbraw/zinc/05/41/84/1128054184.db2.gz BLGANLXWDMLYTI-UHFFFAOYSA-N 1 2 328.460 3.644 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000057849535 1128059620 /nfs/dbraw/zinc/05/96/20/1128059620.db2.gz IJIACRUATNLTKB-CABCVRRESA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000057849535 1128059626 /nfs/dbraw/zinc/05/96/26/1128059626.db2.gz IJIACRUATNLTKB-CABCVRRESA-N 1 2 344.430 3.532 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ccn(-c3ccc(Cl)cc3)n2)ccn1 ZINC000347559976 1128084015 /nfs/dbraw/zinc/08/40/15/1128084015.db2.gz MBUKSMOPFWDVJQ-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO Cc1ncccc1-c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000347561864 1128089543 /nfs/dbraw/zinc/08/95/43/1128089543.db2.gz NCRZTXSOEQJYRH-TWGQIWQCSA-N 1 2 329.363 3.796 20 0 EHADLO CSc1ccc(C)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000060426397 1128101699 /nfs/dbraw/zinc/10/16/99/1128101699.db2.gz PIKQHFBHIDLEAP-UHFFFAOYSA-N 1 2 341.480 3.511 20 0 EHADLO CC(C)Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000063575345 1128147599 /nfs/dbraw/zinc/14/75/99/1128147599.db2.gz WZWQCGJYXJEOCZ-UHFFFAOYSA-N 1 2 326.425 3.780 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccco1 ZINC000347618704 1128147898 /nfs/dbraw/zinc/14/78/98/1128147898.db2.gz XOMRKXCCRJEHRP-JKSUJKDBSA-N 1 2 330.428 3.509 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1COc1ccccc1 ZINC000063705561 1128152804 /nfs/dbraw/zinc/15/28/04/1128152804.db2.gz PCONOQROYXUJNP-UHFFFAOYSA-N 1 2 347.418 3.503 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000065515841 1128193091 /nfs/dbraw/zinc/19/30/91/1128193091.db2.gz ZXCVBSVNAXVDGY-UHFFFAOYSA-N 1 2 332.407 3.728 20 0 EHADLO O=C(CCc1ccsc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067680562 1128246310 /nfs/dbraw/zinc/24/63/10/1128246310.db2.gz QATIDPQLROPSJZ-UHFFFAOYSA-N 1 2 341.436 3.595 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000110054018 1128252042 /nfs/dbraw/zinc/25/20/42/1128252042.db2.gz VNNYZFWBTQMDGE-MRXNPFEDSA-N 1 2 338.451 3.859 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000110054018 1128252044 /nfs/dbraw/zinc/25/20/44/1128252044.db2.gz VNNYZFWBTQMDGE-MRXNPFEDSA-N 1 2 338.451 3.859 20 0 EHADLO Cc1cccn2cc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)nc12 ZINC000055102206 1128256475 /nfs/dbraw/zinc/25/64/75/1128256475.db2.gz KRNAUHDWWMQHRJ-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO CC[C@H](C)Oc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000066338331 1128214761 /nfs/dbraw/zinc/21/47/61/1128214761.db2.gz OCVGNYXRBCHSCI-HNNXBMFYSA-N 1 2 330.432 3.662 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)s1 ZINC000067523289 1128242909 /nfs/dbraw/zinc/24/29/09/1128242909.db2.gz XORJZXMJZBWKGK-UHFFFAOYSA-N 1 2 335.791 3.656 20 0 EHADLO Cc1noc(C)c1COc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000072709921 1128304558 /nfs/dbraw/zinc/30/45/58/1128304558.db2.gz LJGVZYJMFNWCGB-UHFFFAOYSA-N 1 2 337.379 3.826 20 0 EHADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000072997838 1128312942 /nfs/dbraw/zinc/31/29/42/1128312942.db2.gz HPGDHBVZRPLDDZ-AWEZNQCLSA-N 1 2 339.370 3.692 20 0 EHADLO CC[C@]1(C)CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000073565981 1128325357 /nfs/dbraw/zinc/32/53/57/1128325357.db2.gz BFOXAPLIDXOEPZ-HXUWFJFHSA-N 1 2 340.471 3.653 20 0 EHADLO CCN(CCc1ccccc1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074436438 1128341243 /nfs/dbraw/zinc/34/12/43/1128341243.db2.gz BGXODDKPHGFXJY-UHFFFAOYSA-N 1 2 333.435 3.886 20 0 EHADLO Cc1cc(N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)nc(C2CC2)[nH+]1 ZINC000624534415 1128388549 /nfs/dbraw/zinc/38/85/49/1128388549.db2.gz DBTKXYXZGDZBMA-NRFANRHFSA-N 1 2 349.434 3.667 20 0 EHADLO CCC(CC)(CNC(=O)Nc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001670977792 1128404350 /nfs/dbraw/zinc/40/43/50/1128404350.db2.gz SPKXESQVRAJPRR-UHFFFAOYSA-N 1 2 328.338 3.825 20 0 EHADLO Cc1ccccc1C(F)(F)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001670977790 1128404618 /nfs/dbraw/zinc/40/46/18/1128404618.db2.gz SKDCQTWRVMKHQX-UHFFFAOYSA-N 1 2 330.338 3.556 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)o1 ZINC000065963107 1128430777 /nfs/dbraw/zinc/43/07/77/1128430777.db2.gz LLCAVKVBSADLDP-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@H](C)[S@@]1=O ZINC000348549027 1128444220 /nfs/dbraw/zinc/44/42/20/1128444220.db2.gz RDAJOVHKJZMUQV-HOSQHVHZSA-N 1 2 331.481 3.986 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C)cc3)o2)C[C@H](C)[S@@]1=O ZINC000348549027 1128444222 /nfs/dbraw/zinc/44/42/22/1128444222.db2.gz RDAJOVHKJZMUQV-HOSQHVHZSA-N 1 2 331.481 3.986 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCc4cccnc43)cc2)[nH+]c1C ZINC000921657842 1128438753 /nfs/dbraw/zinc/43/87/53/1128438753.db2.gz CLQMVCJVJPFOPY-QGZVFWFLSA-N 1 2 332.407 3.757 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)[nH+]c1C ZINC000921665911 1128444504 /nfs/dbraw/zinc/44/45/04/1128444504.db2.gz VCYNNJOEDADFPS-UHFFFAOYSA-N 1 2 337.427 3.897 20 0 EHADLO Cc1nc(CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)c(C)s1 ZINC000921660293 1128439822 /nfs/dbraw/zinc/43/98/22/1128439822.db2.gz OXWNFWDRTAATEN-UHFFFAOYSA-N 1 2 340.452 3.948 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)n1 ZINC000921666692 1128445723 /nfs/dbraw/zinc/44/57/23/1128445723.db2.gz HJTNRYOGVFMDEW-MRXNPFEDSA-N 1 2 342.361 3.512 20 0 EHADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000085334756 1128450348 /nfs/dbraw/zinc/45/03/48/1128450348.db2.gz AUOBMVKHGMTHIX-GDBMZVCRSA-N 1 2 328.462 3.620 20 0 EHADLO Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000186418752 1128461637 /nfs/dbraw/zinc/46/16/37/1128461637.db2.gz RTGMRJIBJGZHHF-MRXNPFEDSA-N 1 2 346.496 3.644 20 0 EHADLO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655799490 1128486330 /nfs/dbraw/zinc/48/63/30/1128486330.db2.gz GTFTYLVYEPKNSE-JWMYSTGGSA-N 1 2 344.503 3.741 20 0 EHADLO CSCC(C)(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000282296274 1128513068 /nfs/dbraw/zinc/51/30/68/1128513068.db2.gz ZMNFUTBVBSZWLJ-GFCCVEGCSA-N 1 2 341.546 3.703 20 0 EHADLO CSCC(C)(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000282296274 1128513072 /nfs/dbraw/zinc/51/30/72/1128513072.db2.gz ZMNFUTBVBSZWLJ-GFCCVEGCSA-N 1 2 341.546 3.703 20 0 EHADLO CC[C@H](C)Cc1c(C)sc2[nH]c(Cc3c[nH+]cn3C)nc(=O)c12 ZINC000542691502 1128540563 /nfs/dbraw/zinc/54/05/63/1128540563.db2.gz UXIMPSALJVNLOW-JTQLQIEISA-N 1 2 330.457 3.618 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)o1 ZINC000298481761 1128564234 /nfs/dbraw/zinc/56/42/34/1128564234.db2.gz GBHLLSJNIAPUIK-SNVBAGLBSA-N 1 2 349.337 3.662 20 0 EHADLO O=C(NCCCCC1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465689566 1128567505 /nfs/dbraw/zinc/56/75/05/1128567505.db2.gz KAGFAEWZKLPAPF-UHFFFAOYSA-N 1 2 344.503 3.710 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)NC1CCC(c2ccccc2)CC1 ZINC000057376169 1128634516 /nfs/dbraw/zinc/63/45/16/1128634516.db2.gz IGUNVIKGAOOSRM-UHFFFAOYSA-N 1 2 340.471 3.689 20 0 EHADLO CCC[C@@](C)([NH2+]CCCOc1cccc2ccccc21)C(=O)OC ZINC000303500495 1128680910 /nfs/dbraw/zinc/68/09/10/1128680910.db2.gz UXNMMAGGOXKPQP-HXUWFJFHSA-N 1 2 329.440 3.930 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000303734905 1128691682 /nfs/dbraw/zinc/69/16/82/1128691682.db2.gz GDEMXNLPBXSHIZ-OAHLLOKOSA-N 1 2 328.843 3.745 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000303734905 1128691685 /nfs/dbraw/zinc/69/16/85/1128691685.db2.gz GDEMXNLPBXSHIZ-OAHLLOKOSA-N 1 2 328.843 3.745 20 0 EHADLO COc1cc(CNc2cc3cc(C)[nH]c3c[nH+]2)cc(OC)c1OC ZINC001168669845 1128759882 /nfs/dbraw/zinc/75/98/82/1128759882.db2.gz QCARXSHKAYMEHH-UHFFFAOYSA-N 1 2 327.384 3.509 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000672144047 1128797043 /nfs/dbraw/zinc/79/70/43/1128797043.db2.gz RZNQHOOCGLVBCZ-CYBMUJFWSA-N 1 2 342.443 3.714 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000672147029 1128799170 /nfs/dbraw/zinc/79/91/70/1128799170.db2.gz XDJHHJVISUAVRB-LBPRGKRZSA-N 1 2 341.798 3.541 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c(O)c(C(C)C)c1 ZINC000672152418 1128814665 /nfs/dbraw/zinc/81/46/65/1128814665.db2.gz JWLAOXKMHPMXCD-HNNXBMFYSA-N 1 2 341.455 3.580 20 0 EHADLO CCCC(=O)NC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672164156 1128828330 /nfs/dbraw/zinc/82/83/30/1128828330.db2.gz IWVUCMGKHHGCCL-UHFFFAOYSA-N 1 2 331.847 3.773 20 0 EHADLO Cc1oc(C(C)(C)C)cc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC001648864400 1120057463 /nfs/dbraw/zinc/05/74/63/1120057463.db2.gz OHEJJOKITDLWRO-UHFFFAOYSA-N 1 2 329.444 3.729 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000542943946 1128891580 /nfs/dbraw/zinc/89/15/80/1128891580.db2.gz VAVCXEYNLUWCDV-UHFFFAOYSA-N 1 2 347.418 3.836 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000542943946 1128891583 /nfs/dbraw/zinc/89/15/83/1128891583.db2.gz VAVCXEYNLUWCDV-UHFFFAOYSA-N 1 2 347.418 3.836 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)NCCNc1cccc[nH+]1 ZINC000063707738 1128894089 /nfs/dbraw/zinc/89/40/89/1128894089.db2.gz MOELDVMMNFJXOK-UHFFFAOYSA-N 1 2 329.787 3.632 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3nc(C(C)C)cs3)c1)O[C@H](C)C2 ZINC000125688203 1120188932 /nfs/dbraw/zinc/18/89/32/1120188932.db2.gz WQOWTLXPGQAYOL-GFCCVEGCSA-N 1 2 332.469 3.888 20 0 EHADLO COc1cccc2cc(C[NH2+]Cc3ccn(-c4ccccc4)n3)oc21 ZINC001648940548 1120240299 /nfs/dbraw/zinc/24/02/99/1120240299.db2.gz GOAAOFQHINWJNE-UHFFFAOYSA-N 1 2 333.391 3.917 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC/C=C/C2CC2)c(C)c1 ZINC001670849625 1120329684 /nfs/dbraw/zinc/32/96/84/1120329684.db2.gz WXQOMNUNVUOXOG-GNAXCBTBSA-N 1 2 338.455 3.507 20 0 EHADLO COCCc1noc(C[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000185393387 1120412502 /nfs/dbraw/zinc/41/25/02/1120412502.db2.gz AGGACIJPZLYNGY-LBPRGKRZSA-N 1 2 345.830 3.916 20 0 EHADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1 ZINC000185595784 1120420826 /nfs/dbraw/zinc/42/08/26/1120420826.db2.gz WMXOLKPKGFIOEH-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1 ZINC000185595784 1120420828 /nfs/dbraw/zinc/42/08/28/1120420828.db2.gz WMXOLKPKGFIOEH-GOSISDBHSA-N 1 2 344.842 3.742 20 0 EHADLO COc1ccccc1/C=C/C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000185609525 1120421047 /nfs/dbraw/zinc/42/10/47/1120421047.db2.gz ROOCXPLPMSNCNC-BIENSFFJSA-N 1 2 343.496 3.544 20 0 EHADLO CCC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000185835402 1120431212 /nfs/dbraw/zinc/43/12/12/1120431212.db2.gz CBJVZGGULUZTMQ-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1OC ZINC000186431568 1120460894 /nfs/dbraw/zinc/46/08/94/1120460894.db2.gz HZLNYOQXWDQEGY-LBPRGKRZSA-N 1 2 348.468 3.913 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000186993164 1120482226 /nfs/dbraw/zinc/48/22/26/1120482226.db2.gz VYXYSJRQOCKZJG-KBPBESRZSA-N 1 2 341.904 3.756 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cccc(C(=O)N[C@@H](C)CC)c2)n1 ZINC000494308817 1120525876 /nfs/dbraw/zinc/52/58/76/1120525876.db2.gz IRTCWGILCMXHTE-AWEZNQCLSA-N 1 2 345.512 3.914 20 0 EHADLO CCc1ccc([C@@H](CC)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393350014 1120532757 /nfs/dbraw/zinc/53/27/57/1120532757.db2.gz UNXTWDOLUZKEQX-OAHLLOKOSA-N 1 2 336.277 3.986 20 0 EHADLO CSCc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000921929717 1128925516 /nfs/dbraw/zinc/92/55/16/1128925516.db2.gz MOIHDUHHNAVLOP-UHFFFAOYSA-N 1 2 343.496 3.518 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cc1 ZINC000191668755 1120685350 /nfs/dbraw/zinc/68/53/50/1120685350.db2.gz TYHWTMYNDXJZOC-IBGZPJMESA-N 1 2 327.472 3.774 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cc1 ZINC000191668755 1120685353 /nfs/dbraw/zinc/68/53/53/1120685353.db2.gz TYHWTMYNDXJZOC-IBGZPJMESA-N 1 2 327.472 3.774 20 0 EHADLO CCS[C@@H]1CCCC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153105524 1120687396 /nfs/dbraw/zinc/68/73/96/1120687396.db2.gz MSESQSGXBYTSMA-CYBMUJFWSA-N 1 2 328.551 3.734 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153105524 1120687399 /nfs/dbraw/zinc/68/73/99/1120687399.db2.gz MSESQSGXBYTSMA-CYBMUJFWSA-N 1 2 328.551 3.734 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cn[nH]c1 ZINC000494647769 1120712478 /nfs/dbraw/zinc/71/24/78/1120712478.db2.gz JDHNQXNBVNPGBX-MRVPVSSYSA-N 1 2 338.198 3.617 20 0 EHADLO COc1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc2ccccc21 ZINC000195029815 1120761158 /nfs/dbraw/zinc/76/11/58/1120761158.db2.gz OMBWZPOCWOYXEN-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CC(C)COc1cc(NCc2ccc(OC3COC3)cc2)cc[nH+]1 ZINC001168468514 1120770104 /nfs/dbraw/zinc/77/01/04/1120770104.db2.gz XZKNJBNJBPRGTA-UHFFFAOYSA-N 1 2 328.412 3.506 20 0 EHADLO Cn1c2ccccc2[nH+]c1NCc1nccn1CCc1ccccc1 ZINC000193468396 1120778054 /nfs/dbraw/zinc/77/80/54/1120778054.db2.gz JUBPIPNINAOITB-UHFFFAOYSA-N 1 2 331.423 3.625 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000195359093 1120778962 /nfs/dbraw/zinc/77/89/62/1120778962.db2.gz SDUCNFQFUUTNHO-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665803 1128939938 /nfs/dbraw/zinc/93/99/38/1128939938.db2.gz TZZKKQQJFMUOPP-SWLSCSKDSA-N 1 2 346.475 3.803 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1nc(C2CC2)n(C)c1=S ZINC000076665803 1128939940 /nfs/dbraw/zinc/93/99/40/1128939940.db2.gz TZZKKQQJFMUOPP-SWLSCSKDSA-N 1 2 346.475 3.803 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000194053662 1120819211 /nfs/dbraw/zinc/81/92/11/1120819211.db2.gz LYWGOJCSCAXXKG-VQIMIIECSA-N 1 2 340.471 3.557 20 0 EHADLO CCCOc1cccc2c(NCc3cccc(C(N)=O)c3)cc[nH+]c12 ZINC000194701369 1120855962 /nfs/dbraw/zinc/85/59/62/1120855962.db2.gz MQAZTULXSIIWMK-UHFFFAOYSA-N 1 2 335.407 3.735 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CC2(CCCCC2)O1 ZINC000653907826 1120859017 /nfs/dbraw/zinc/85/90/17/1120859017.db2.gz BQXGQKMHWWOMDS-CQSZACIVSA-N 1 2 345.418 3.799 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CC2(CCCCC2)O1 ZINC000653907826 1120859019 /nfs/dbraw/zinc/85/90/19/1120859019.db2.gz BQXGQKMHWWOMDS-CQSZACIVSA-N 1 2 345.418 3.799 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)[C@@H]1C ZINC000542517161 1120880391 /nfs/dbraw/zinc/88/03/91/1120880391.db2.gz NVFRVULKFUEQIZ-RKDXNWHRSA-N 1 2 348.082 3.837 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)[C@@H]1C ZINC000542517161 1120880390 /nfs/dbraw/zinc/88/03/90/1120880390.db2.gz NVFRVULKFUEQIZ-RKDXNWHRSA-N 1 2 348.082 3.837 20 0 EHADLO Brc1cccc2c1CC[N@H+](C/C=C/c1ccncc1)C2 ZINC000494964344 1120920192 /nfs/dbraw/zinc/92/01/92/1120920192.db2.gz OMXKOPXEWJHSBK-NSCUHMNNSA-N 1 2 329.241 3.916 20 0 EHADLO Brc1cccc2c1CC[N@@H+](C/C=C/c1ccncc1)C2 ZINC000494964344 1120920197 /nfs/dbraw/zinc/92/01/97/1120920197.db2.gz OMXKOPXEWJHSBK-NSCUHMNNSA-N 1 2 329.241 3.916 20 0 EHADLO Fc1cccc(Cl)c1CN1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495076787 1120947140 /nfs/dbraw/zinc/94/71/40/1120947140.db2.gz BNTYBQYFKGIZMU-IHWYPQMZSA-N 1 2 345.849 3.705 20 0 EHADLO OC[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccccc1 ZINC000230308305 1121001342 /nfs/dbraw/zinc/00/13/42/1121001342.db2.gz KUSOKVFWDLINFK-AWEZNQCLSA-N 1 2 342.183 3.551 20 0 EHADLO Cc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(Cl)n1 ZINC000761892139 1121003346 /nfs/dbraw/zinc/00/33/46/1121003346.db2.gz XDMRITRNYXMXPU-UHFFFAOYSA-N 1 2 339.786 3.640 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)c1 ZINC000542969867 1128963628 /nfs/dbraw/zinc/96/36/28/1128963628.db2.gz DHLXYNYULGTLRC-UHFFFAOYSA-N 1 2 348.450 3.685 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000762139564 1121127298 /nfs/dbraw/zinc/12/72/98/1121127298.db2.gz HODQWRPUJYZKIS-ZDUSSCGKSA-N 1 2 346.475 3.979 20 0 EHADLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000762139564 1121127300 /nfs/dbraw/zinc/12/73/00/1121127300.db2.gz HODQWRPUJYZKIS-ZDUSSCGKSA-N 1 2 346.475 3.979 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NCC2CCCCC2)cc1 ZINC000303702305 1121174597 /nfs/dbraw/zinc/17/45/97/1121174597.db2.gz XJZRKLXHCVLGLP-LJQANCHMSA-N 1 2 346.540 3.781 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NCC2CCCCC2)cc1 ZINC000303702305 1121174602 /nfs/dbraw/zinc/17/46/02/1121174602.db2.gz XJZRKLXHCVLGLP-LJQANCHMSA-N 1 2 346.540 3.781 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000915209031 1121252813 /nfs/dbraw/zinc/25/28/13/1121252813.db2.gz WMHIVUQABDWYAD-UHFFFAOYSA-N 1 2 332.448 3.907 20 0 EHADLO Fc1ccccc1-n1cnn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000915209031 1121252817 /nfs/dbraw/zinc/25/28/17/1121252817.db2.gz WMHIVUQABDWYAD-UHFFFAOYSA-N 1 2 332.448 3.907 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000915209468 1121253530 /nfs/dbraw/zinc/25/35/30/1121253530.db2.gz XHJGUZPBEPDBQY-INIZCTEOSA-N 1 2 335.451 3.997 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000915209468 1121253535 /nfs/dbraw/zinc/25/35/35/1121253535.db2.gz XHJGUZPBEPDBQY-INIZCTEOSA-N 1 2 335.451 3.997 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762466858 1121318879 /nfs/dbraw/zinc/31/88/79/1121318879.db2.gz OBSLDOCXDXTHFH-QGZVFWFLSA-N 1 2 346.500 3.635 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762466858 1121318888 /nfs/dbraw/zinc/31/88/88/1121318888.db2.gz OBSLDOCXDXTHFH-QGZVFWFLSA-N 1 2 346.500 3.635 20 0 EHADLO C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499541028 1128980939 /nfs/dbraw/zinc/98/09/39/1128980939.db2.gz PXLPCLTUFVTDPD-GOEBONIOSA-N 1 2 328.460 3.691 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000499542745 1128981719 /nfs/dbraw/zinc/98/17/19/1128981719.db2.gz FJDSITLADPERHP-OBXNSHGQSA-N 1 2 341.426 3.620 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CC2(CCCC2)c2cccc(F)c21 ZINC000762670036 1121406997 /nfs/dbraw/zinc/40/69/97/1121406997.db2.gz BGOJJFNNHTZYQA-UHFFFAOYSA-N 1 2 335.382 3.946 20 0 EHADLO COc1cc(Nc2cc(F)cc(C(=O)N3CCCCC3)c2)cc(C)[nH+]1 ZINC001212206957 1121481918 /nfs/dbraw/zinc/48/19/18/1121481918.db2.gz TYCMEZXBIHPASC-UHFFFAOYSA-N 1 2 343.402 3.907 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815079 1121510686 /nfs/dbraw/zinc/51/06/86/1121510686.db2.gz JMGRWHFANFJMCN-UHFFFAOYSA-N 1 2 336.435 3.682 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815079 1121510690 /nfs/dbraw/zinc/51/06/90/1121510690.db2.gz JMGRWHFANFJMCN-UHFFFAOYSA-N 1 2 336.435 3.682 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(Cl)nc1 ZINC000495912369 1121567062 /nfs/dbraw/zinc/56/70/62/1121567062.db2.gz FSBLWZRWDPASHY-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)cs1 ZINC000113265349 1128994239 /nfs/dbraw/zinc/99/42/39/1128994239.db2.gz DLJMTOVVXWDRQW-IBGZPJMESA-N 1 2 344.480 3.874 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)cs1 ZINC000113265349 1128994241 /nfs/dbraw/zinc/99/42/41/1128994241.db2.gz DLJMTOVVXWDRQW-IBGZPJMESA-N 1 2 344.480 3.874 20 0 EHADLO CCCc1nc2ccccc2c(C(=O)OCCn2cc[nH+]c2)c1CC ZINC000763106827 1121683441 /nfs/dbraw/zinc/68/34/41/1121683441.db2.gz ARFGIPYEKIXWAH-UHFFFAOYSA-N 1 2 337.423 3.803 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000763106996 1121683497 /nfs/dbraw/zinc/68/34/97/1121683497.db2.gz BGYNEUVWEIKCCK-UHFFFAOYSA-N 1 2 333.347 3.548 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000672535435 1129008063 /nfs/dbraw/zinc/00/80/63/1129008063.db2.gz CFHYYDHVPUQOFF-LBPRGKRZSA-N 1 2 334.261 3.995 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000672535435 1129008067 /nfs/dbraw/zinc/00/80/67/1129008067.db2.gz CFHYYDHVPUQOFF-LBPRGKRZSA-N 1 2 334.261 3.995 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 ZINC000444134409 1121864101 /nfs/dbraw/zinc/86/41/01/1121864101.db2.gz BKTJZVSNYYIORI-OAHLLOKOSA-N 1 2 346.519 3.914 20 0 EHADLO CSc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000055747979 1121870241 /nfs/dbraw/zinc/87/02/41/1121870241.db2.gz TVWSLUXCZVPFHH-UHFFFAOYSA-N 1 2 337.448 3.583 20 0 EHADLO CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000194403180 1121880150 /nfs/dbraw/zinc/88/01/50/1121880150.db2.gz BZIZVHXZKYUIGI-HRAATJIYSA-N 1 2 339.435 3.730 20 0 EHADLO CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000194403180 1121880157 /nfs/dbraw/zinc/88/01/57/1121880157.db2.gz BZIZVHXZKYUIGI-HRAATJIYSA-N 1 2 339.435 3.730 20 0 EHADLO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1F ZINC000326406539 1121936493 /nfs/dbraw/zinc/93/64/93/1121936493.db2.gz OTXNKWANNLLHLV-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CC[C@](O)(C[NH2+][C@H](c1nccs1)c1ccccc1)C(F)(F)F ZINC000929919174 1122060751 /nfs/dbraw/zinc/06/07/51/1122060751.db2.gz LMFKVLBGSSQQHY-JSGCOSHPSA-N 1 2 330.375 3.526 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000916152609 1122082397 /nfs/dbraw/zinc/08/23/97/1122082397.db2.gz VMULTKDWOYUDMX-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000916152609 1122082404 /nfs/dbraw/zinc/08/24/04/1122082404.db2.gz VMULTKDWOYUDMX-HUUCEWRRSA-N 1 2 336.435 3.836 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000496677094 1122153181 /nfs/dbraw/zinc/15/31/81/1122153181.db2.gz LHIQFCQABSHRFC-UHFFFAOYSA-N 1 2 342.399 3.589 20 0 EHADLO Cc1cc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000496891281 1122200562 /nfs/dbraw/zinc/20/05/62/1122200562.db2.gz HNIGAMDUIPUWDK-LSDHHAIUSA-N 1 2 348.491 3.648 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1c(Cl)nc2ccccn21 ZINC000763412298 1122232588 /nfs/dbraw/zinc/23/25/88/1122232588.db2.gz OSBGOSLKIWOOEC-UHFFFAOYSA-N 1 2 325.803 3.969 20 0 EHADLO CCn1c(C)nnc1SCc1c[nH+]c(N(C)C)c2ccccc12 ZINC000916857721 1122369952 /nfs/dbraw/zinc/36/99/52/1122369952.db2.gz CXTUJCBFBJODIL-UHFFFAOYSA-N 1 2 327.457 3.513 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125984865 1122374029 /nfs/dbraw/zinc/37/40/29/1122374029.db2.gz QETCRIPKVJFBFW-YOEHRIQHSA-N 1 2 331.847 3.579 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000126298307 1122400128 /nfs/dbraw/zinc/40/01/28/1122400128.db2.gz PSUMJXKDPNTWRL-AEFFLSMTSA-N 1 2 344.499 3.982 20 0 EHADLO O=C(C[NH2+]Cc1c(F)cccc1Cl)N1CCCc2ccccc21 ZINC000065976839 1122450505 /nfs/dbraw/zinc/45/05/05/1122450505.db2.gz NIIXZKUZNJNTDJ-UHFFFAOYSA-N 1 2 332.806 3.548 20 0 EHADLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000917073639 1122478919 /nfs/dbraw/zinc/47/89/19/1122478919.db2.gz HEVDRZCKVJIMPE-UHFFFAOYSA-N 1 2 337.872 3.554 20 0 EHADLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000917073639 1122478921 /nfs/dbraw/zinc/47/89/21/1122478921.db2.gz HEVDRZCKVJIMPE-UHFFFAOYSA-N 1 2 337.872 3.554 20 0 EHADLO CCCCN(C(=O)NCCCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000127532977 1122491565 /nfs/dbraw/zinc/49/15/65/1122491565.db2.gz OTNNTGHCRTWNHX-KRWDZBQOSA-N 1 2 328.460 3.846 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127686101 1122502188 /nfs/dbraw/zinc/50/21/88/1122502188.db2.gz OUSBZLQJJYBQCZ-HKUYNNGSSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127686101 1122502191 /nfs/dbraw/zinc/50/21/91/1122502191.db2.gz OUSBZLQJJYBQCZ-HKUYNNGSSA-N 1 2 336.426 3.797 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2=C(C)CCC2)[C@@H](C)C1 ZINC001128306863 1129059644 /nfs/dbraw/zinc/05/96/44/1129059644.db2.gz DMPBDHDPPHAHKE-KRWDZBQOSA-N 1 2 342.483 3.618 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2=C(C)CCC2)[C@@H](C)C1 ZINC001128306863 1129059649 /nfs/dbraw/zinc/05/96/49/1129059649.db2.gz DMPBDHDPPHAHKE-KRWDZBQOSA-N 1 2 342.483 3.618 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000067462757 1122515912 /nfs/dbraw/zinc/51/59/12/1122515912.db2.gz GZWZPFNMQQIEPA-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000067462757 1122515918 /nfs/dbraw/zinc/51/59/18/1122515918.db2.gz GZWZPFNMQQIEPA-OAHLLOKOSA-N 1 2 338.451 3.643 20 0 EHADLO CC(C)c1cccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000917570244 1122638833 /nfs/dbraw/zinc/63/88/33/1122638833.db2.gz QSJLRBBKDSSMBT-UHFFFAOYSA-N 1 2 340.496 3.724 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC000923758432 1122689176 /nfs/dbraw/zinc/68/91/76/1122689176.db2.gz JHYCIXKXUSAEQK-GOSISDBHSA-N 1 2 340.423 3.655 20 0 EHADLO C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000498011841 1122725711 /nfs/dbraw/zinc/72/57/11/1122725711.db2.gz JLZLXSFTMWYOFM-FUHWJXTLSA-N 1 2 325.456 3.878 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc2ccccc2c1 ZINC000918184041 1122772869 /nfs/dbraw/zinc/77/28/69/1122772869.db2.gz UYODPWGEWOABDF-UHFFFAOYSA-N 1 2 333.391 3.519 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000444821218 1122813462 /nfs/dbraw/zinc/81/34/62/1122813462.db2.gz YRZJFCYVCAGQLG-MRXNPFEDSA-N 1 2 338.455 3.710 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000609280862 1122832448 /nfs/dbraw/zinc/83/24/48/1122832448.db2.gz RDNXAECNBGKOMR-MRXNPFEDSA-N 1 2 329.396 3.802 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000609280862 1122832452 /nfs/dbraw/zinc/83/24/52/1122832452.db2.gz RDNXAECNBGKOMR-MRXNPFEDSA-N 1 2 329.396 3.802 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C2CC2)C1 ZINC000444878930 1122853816 /nfs/dbraw/zinc/85/38/16/1122853816.db2.gz VDYYATRSRPKAHZ-ZBFHGGJFSA-N 1 2 344.484 3.522 20 0 EHADLO CC(C)CCn1cccc1CNc1cc(CSCCO)cc[nH+]1 ZINC000130117011 1122889748 /nfs/dbraw/zinc/88/97/48/1122889748.db2.gz MGOPATMRHWSXLT-UHFFFAOYSA-N 1 2 333.501 3.767 20 0 EHADLO CO[NH+]=C(N)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000154861228 1122953163 /nfs/dbraw/zinc/95/31/63/1122953163.db2.gz MHVUVYVZDYYZRC-UHFFFAOYSA-N 1 2 345.708 3.813 20 0 EHADLO Cc1cc(N2CCN(c3ncc(C(C)C)s3)CC2)nc(C(C)C)[nH+]1 ZINC000498843876 1123084889 /nfs/dbraw/zinc/08/48/89/1123084889.db2.gz LTFIYWZAOBPMKP-UHFFFAOYSA-N 1 2 345.516 3.815 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000763437305 1123088074 /nfs/dbraw/zinc/08/80/74/1123088074.db2.gz MNIGAEZKRSPLNB-PMACEKPBSA-N 1 2 343.467 3.803 20 0 EHADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000763437305 1123088078 /nfs/dbraw/zinc/08/80/78/1123088078.db2.gz MNIGAEZKRSPLNB-PMACEKPBSA-N 1 2 343.467 3.803 20 0 EHADLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2Cl)CC12CCCCC2 ZINC000498936779 1123120792 /nfs/dbraw/zinc/12/07/92/1123120792.db2.gz FKBNPGNSQFROIB-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2Cl)CC12CCCCC2 ZINC000498936779 1123120795 /nfs/dbraw/zinc/12/07/95/1123120795.db2.gz FKBNPGNSQFROIB-UHFFFAOYSA-N 1 2 338.854 3.846 20 0 EHADLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1Cl ZINC000155086702 1123146565 /nfs/dbraw/zinc/14/65/65/1123146565.db2.gz RLDIKCKJNFDQMC-INIZCTEOSA-N 1 2 326.223 3.696 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1F ZINC000556867746 1123153901 /nfs/dbraw/zinc/15/39/01/1123153901.db2.gz WSNIUVFYBRTFFU-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CCCN(c3ccccc3F)CC2)c1F ZINC000556867746 1123153904 /nfs/dbraw/zinc/15/39/04/1123153904.db2.gz WSNIUVFYBRTFFU-UHFFFAOYSA-N 1 2 336.357 3.522 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(F)ccc1F ZINC000556860442 1123156064 /nfs/dbraw/zinc/15/60/64/1123156064.db2.gz AWIXRYABDCMDEC-HDJSIYSDSA-N 1 2 331.366 3.513 20 0 EHADLO Cc1ccccc1-c1nc(COc2cccc(-n3cc[nH+]c3)c2)no1 ZINC000131695759 1123167438 /nfs/dbraw/zinc/16/74/38/1123167438.db2.gz YAPHMUWPEXUGNQ-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000072905384 1123174841 /nfs/dbraw/zinc/17/48/41/1123174841.db2.gz YHJILFHKWPEQRS-HOCLYGCPSA-N 1 2 328.412 3.700 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000072905384 1123174842 /nfs/dbraw/zinc/17/48/42/1123174842.db2.gz YHJILFHKWPEQRS-HOCLYGCPSA-N 1 2 328.412 3.700 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000073715318 1123217200 /nfs/dbraw/zinc/21/72/00/1123217200.db2.gz JREWIFBHYQIEHA-FQEVSTJZSA-N 1 2 344.503 3.662 20 0 EHADLO CC(C)[N@@H+](Cc1cccs1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000919953910 1123244786 /nfs/dbraw/zinc/24/47/86/1123244786.db2.gz FDDRYLJAUYXBNV-UHFFFAOYSA-N 1 2 349.500 3.561 20 0 EHADLO CC(C)[N@H+](Cc1cccs1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000919953910 1123244790 /nfs/dbraw/zinc/24/47/90/1123244790.db2.gz FDDRYLJAUYXBNV-UHFFFAOYSA-N 1 2 349.500 3.561 20 0 EHADLO C[C@@H](COc1ccccc1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000920085554 1123288017 /nfs/dbraw/zinc/28/80/17/1123288017.db2.gz JTVXIHZSXDNNCR-HNNXBMFYSA-N 1 2 345.406 3.695 20 0 EHADLO CC(C)CCOCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499264346 1123315260 /nfs/dbraw/zinc/31/52/60/1123315260.db2.gz SDISRBSHTZWIEY-KRWDZBQOSA-N 1 2 343.414 3.724 20 0 EHADLO CC(C)CCOCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499264346 1123315263 /nfs/dbraw/zinc/31/52/63/1123315263.db2.gz SDISRBSHTZWIEY-KRWDZBQOSA-N 1 2 343.414 3.724 20 0 EHADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000152636498 1123335417 /nfs/dbraw/zinc/33/54/17/1123335417.db2.gz LYRJDAJZHNHYHD-UHFFFAOYSA-N 1 2 344.358 3.624 20 0 EHADLO CCO[C@@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccc1 ZINC000920221326 1123340604 /nfs/dbraw/zinc/34/06/04/1123340604.db2.gz XXEPICKWMSLOMS-MRXNPFEDSA-N 1 2 347.484 3.701 20 0 EHADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc2n1C ZINC000074985734 1123353405 /nfs/dbraw/zinc/35/34/05/1123353405.db2.gz CNMFVQDHBKLANX-UHFFFAOYSA-N 1 2 349.843 3.644 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075832668 1123428974 /nfs/dbraw/zinc/42/89/74/1123428974.db2.gz NJARSLNOMXLVDF-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075832668 1123428977 /nfs/dbraw/zinc/42/89/77/1123428977.db2.gz NJARSLNOMXLVDF-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000133830950 1123443525 /nfs/dbraw/zinc/44/35/25/1123443525.db2.gz QORAACZXZFLHFD-UHFFFAOYSA-N 1 2 348.541 3.888 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Cc2ccc(F)cc2)n1 ZINC000921030288 1123453838 /nfs/dbraw/zinc/45/38/38/1123453838.db2.gz MRTNLEKBFDERPI-CYBMUJFWSA-N 1 2 349.475 3.941 20 0 EHADLO CCCCc1noc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134327882 1123516827 /nfs/dbraw/zinc/51/68/27/1123516827.db2.gz OQDQQLNDYBBQMS-UHFFFAOYSA-N 1 2 343.471 3.720 20 0 EHADLO CCCCc1noc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134327882 1123516829 /nfs/dbraw/zinc/51/68/29/1123516829.db2.gz OQDQQLNDYBBQMS-UHFFFAOYSA-N 1 2 343.471 3.720 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135098208 1123581939 /nfs/dbraw/zinc/58/19/39/1123581939.db2.gz VNIUDBBPKOQXRU-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135098208 1123581941 /nfs/dbraw/zinc/58/19/41/1123581941.db2.gz VNIUDBBPKOQXRU-UHFFFAOYSA-N 1 2 329.350 3.955 20 0 EHADLO FCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000135167903 1123588562 /nfs/dbraw/zinc/58/85/62/1123588562.db2.gz RSUVMINFCITATG-UHFFFAOYSA-N 1 2 334.464 3.705 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccsc1 ZINC000078083454 1123598109 /nfs/dbraw/zinc/59/81/09/1123598109.db2.gz VNVRHQFRGBZLMV-CQSZACIVSA-N 1 2 341.436 3.766 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000135426607 1123614070 /nfs/dbraw/zinc/61/40/70/1123614070.db2.gz MIMSXZAHAAGFJX-LLVKDONJSA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000135426607 1123614075 /nfs/dbraw/zinc/61/40/75/1123614075.db2.gz MIMSXZAHAAGFJX-LLVKDONJSA-N 1 2 333.284 3.759 20 0 EHADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccccc2)CC1 ZINC000282330169 1129136989 /nfs/dbraw/zinc/13/69/89/1129136989.db2.gz NXNYKOREXMJGIN-KRWDZBQOSA-N 1 2 349.478 3.657 20 0 EHADLO CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000079102903 1123672794 /nfs/dbraw/zinc/67/27/94/1123672794.db2.gz ULACJVGOTMFSLA-UHFFFAOYSA-N 1 2 338.455 3.956 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000079395610 1123691595 /nfs/dbraw/zinc/69/15/95/1123691595.db2.gz XPAYGFOBXTUPHH-UHFFFAOYSA-N 1 2 343.496 3.691 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@H]1CCCCO1 ZINC000610160665 1123741657 /nfs/dbraw/zinc/74/16/57/1123741657.db2.gz LEHUXHZISAMCDQ-OAHLLOKOSA-N 1 2 342.439 3.725 20 0 EHADLO Cc1cccc(C[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000615329705 1123779461 /nfs/dbraw/zinc/77/94/61/1123779461.db2.gz KPOIQDJBMVHUIE-OAQYLSRUSA-N 1 2 345.446 3.537 20 0 EHADLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245446310 1123829490 /nfs/dbraw/zinc/82/94/90/1123829490.db2.gz ZSOBAKDUJWGUHW-VQIMIIECSA-N 1 2 329.465 3.543 20 0 EHADLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245446310 1123829507 /nfs/dbraw/zinc/82/95/07/1123829507.db2.gz ZSOBAKDUJWGUHW-VQIMIIECSA-N 1 2 329.465 3.543 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCCC[C@H]12 ZINC000615802342 1123877963 /nfs/dbraw/zinc/87/79/63/1123877963.db2.gz HNYZTZBQXVMTRQ-NSISKUIASA-N 1 2 337.467 3.972 20 0 EHADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000615813696 1123886337 /nfs/dbraw/zinc/88/63/37/1123886337.db2.gz NTEASDIIWHDSJY-NWDGAFQWSA-N 1 2 345.834 3.584 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000179930286 1123904063 /nfs/dbraw/zinc/90/40/63/1123904063.db2.gz ZJKGSVLAGSOHTP-QGZVFWFLSA-N 1 2 346.471 3.595 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000179930286 1123904066 /nfs/dbraw/zinc/90/40/66/1123904066.db2.gz ZJKGSVLAGSOHTP-QGZVFWFLSA-N 1 2 346.471 3.595 20 0 EHADLO C#CCC[NH+]1CCN(C(=O)c2sccc2-c2ccc(C)cc2)CC1 ZINC000068468344 1123956645 /nfs/dbraw/zinc/95/66/45/1123956645.db2.gz VWZKCJOWYJVWQG-UHFFFAOYSA-N 1 2 338.476 3.505 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000245851754 1123961457 /nfs/dbraw/zinc/96/14/57/1123961457.db2.gz MKQWXZYIMZHKTO-CJNGLKHVSA-N 1 2 333.501 3.741 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000245851754 1123961462 /nfs/dbraw/zinc/96/14/62/1123961462.db2.gz MKQWXZYIMZHKTO-CJNGLKHVSA-N 1 2 333.501 3.741 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616330862 1123984489 /nfs/dbraw/zinc/98/44/89/1123984489.db2.gz WILYVZHYFGVFLG-LZQZEXGQSA-N 1 2 325.456 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616330862 1123984494 /nfs/dbraw/zinc/98/44/94/1123984494.db2.gz WILYVZHYFGVFLG-LZQZEXGQSA-N 1 2 325.456 3.773 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000617249501 1124457820 /nfs/dbraw/zinc/45/78/20/1124457820.db2.gz OJDMUIWWXKMVGN-CHWSQXEVSA-N 1 2 332.835 3.636 20 0 EHADLO CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000246820729 1124552865 /nfs/dbraw/zinc/55/28/65/1124552865.db2.gz QAIPGPPYEFQMNF-HOTGVXAUSA-N 1 2 341.858 3.664 20 0 EHADLO CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000246820729 1124552874 /nfs/dbraw/zinc/55/28/74/1124552874.db2.gz QAIPGPPYEFQMNF-HOTGVXAUSA-N 1 2 341.858 3.664 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192012 1124594341 /nfs/dbraw/zinc/59/43/41/1124594341.db2.gz YJJZNIRJQVFSOW-DLBZAZTESA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192012 1124594346 /nfs/dbraw/zinc/59/43/46/1124594346.db2.gz YJJZNIRJQVFSOW-DLBZAZTESA-N 1 2 338.854 3.921 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)c2nccs2)n1 ZINC000248476005 1124667367 /nfs/dbraw/zinc/66/73/67/1124667367.db2.gz XZHFBGZRMGJLSU-QWRGUYRKSA-N 1 2 326.491 3.576 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)c2nccs2)n1 ZINC000248476005 1124667368 /nfs/dbraw/zinc/66/73/68/1124667368.db2.gz XZHFBGZRMGJLSU-QWRGUYRKSA-N 1 2 326.491 3.576 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000249273394 1124748851 /nfs/dbraw/zinc/74/88/51/1124748851.db2.gz LFUJKMPYCIEVPC-SAABIXHNSA-N 1 2 329.488 3.905 20 0 EHADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000249690801 1124773485 /nfs/dbraw/zinc/77/34/85/1124773485.db2.gz KXXNKBYXUZLHOM-LLVKDONJSA-N 1 2 347.311 3.638 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735069864 1131305816 /nfs/dbraw/zinc/30/58/16/1131305816.db2.gz BGHNPIGQTJTFDE-GOSISDBHSA-N 1 2 336.863 3.541 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735069864 1131305821 /nfs/dbraw/zinc/30/58/21/1131305821.db2.gz BGHNPIGQTJTFDE-GOSISDBHSA-N 1 2 336.863 3.541 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251918530 1124954112 /nfs/dbraw/zinc/95/41/12/1124954112.db2.gz SGCZZAXGFBYEEB-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251918530 1124954116 /nfs/dbraw/zinc/95/41/16/1124954116.db2.gz SGCZZAXGFBYEEB-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CC[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000735386834 1131338523 /nfs/dbraw/zinc/33/85/23/1131338523.db2.gz WKMAAGHBXQUPJH-MRXNPFEDSA-N 1 2 326.444 3.594 20 0 EHADLO COc1cc2ccncc2cc1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182327986 1125257795 /nfs/dbraw/zinc/25/77/95/1125257795.db2.gz HJUMSGXSTUIXQL-UHFFFAOYSA-N 1 2 345.358 3.648 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000619215939 1125318841 /nfs/dbraw/zinc/31/88/41/1125318841.db2.gz VFGXWRDQWMQJKB-HSALFYBXSA-N 1 2 345.446 3.994 20 0 EHADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763542988 1125330646 /nfs/dbraw/zinc/33/06/46/1125330646.db2.gz IAWMNOFADWSGMM-UVQBRAAOSA-N 1 2 333.303 3.809 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1c(F)cccc1F ZINC000615334662 1125373333 /nfs/dbraw/zinc/37/33/33/1125373333.db2.gz NQLBTMYWYKACSA-VHSXEESVSA-N 1 2 340.320 3.921 20 0 EHADLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168705231 1129213215 /nfs/dbraw/zinc/21/32/15/1129213215.db2.gz SUYZUAZSVZGYNE-JXFKEZNVSA-N 1 2 343.854 3.571 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000066845530 1129215959 /nfs/dbraw/zinc/21/59/59/1129215959.db2.gz UJIMGKSAZUUGQW-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000066845530 1129215963 /nfs/dbraw/zinc/21/59/63/1129215963.db2.gz UJIMGKSAZUUGQW-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC1CCC=CCC1)c1ccccc1 ZINC000888426487 1129253315 /nfs/dbraw/zinc/25/33/15/1129253315.db2.gz XJUFXCUHXKOGJY-SFHVURJKSA-N 1 2 338.455 3.502 20 0 EHADLO Cc1ccnc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000683000661 1129258259 /nfs/dbraw/zinc/25/82/59/1129258259.db2.gz DGANQIZLYMHULQ-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1F ZINC000067656152 1129293498 /nfs/dbraw/zinc/29/34/98/1129293498.db2.gz XAGVGRARRCUIRD-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)cc(F)c1O ZINC000186515530 1129300293 /nfs/dbraw/zinc/30/02/93/1129300293.db2.gz PMNXTVJGZRKINR-JQWIXIFHSA-N 1 2 346.240 3.904 20 0 EHADLO CC(C)[C@H](CC1CCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000116171530 1129339271 /nfs/dbraw/zinc/33/92/71/1129339271.db2.gz HFBWTVXZBATUCP-SFHVURJKSA-N 1 2 331.504 3.731 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000068097106 1129342395 /nfs/dbraw/zinc/34/23/95/1129342395.db2.gz WHSSDWOSVMOZNR-QGZVFWFLSA-N 1 2 347.462 3.914 20 0 EHADLO Cc1cc(F)cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000081316536 1129413144 /nfs/dbraw/zinc/41/31/44/1129413144.db2.gz LTHSTWPDFJILHI-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO CC[C@H](CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000081318374 1129413606 /nfs/dbraw/zinc/41/36/06/1129413606.db2.gz NJAMBZMCYQAOAI-AEFFLSMTSA-N 1 2 327.472 3.892 20 0 EHADLO CC(C)C[C@@H](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081318365 1129413612 /nfs/dbraw/zinc/41/36/12/1129413612.db2.gz FEQSEUHCAPBHQV-AEFFLSMTSA-N 1 2 327.472 3.892 20 0 EHADLO Fc1cc(Br)cc([C@@H]([NH2+]Cc2cocn2)C2CC2)c1 ZINC000428846784 1129419355 /nfs/dbraw/zinc/41/93/55/1129419355.db2.gz DLVAMDLNHKJTQN-AWEZNQCLSA-N 1 2 325.181 3.817 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cc(-c4ccnn4C)ccc3C)n2c1 ZINC000466408126 1129430477 /nfs/dbraw/zinc/43/04/77/1129430477.db2.gz RTWZJABFAMNISW-UHFFFAOYSA-N 1 2 331.423 3.964 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000117474398 1129445274 /nfs/dbraw/zinc/44/52/74/1129445274.db2.gz BTPILHOPULAGOO-KRWDZBQOSA-N 1 2 344.503 3.794 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000922335839 1129474746 /nfs/dbraw/zinc/47/47/46/1129474746.db2.gz PFAQWXZYWGWLQR-RBUKOAKNSA-N 1 2 326.415 3.504 20 0 EHADLO CCSCc1ccc[nH+]c1NCc1cccc(C(=O)N(C)C)c1 ZINC000922338517 1129478832 /nfs/dbraw/zinc/47/88/32/1129478832.db2.gz SLUKFZLUFGLSOS-UHFFFAOYSA-N 1 2 329.469 3.649 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2cnc(-c3ccccc3)s2)n1 ZINC000922491538 1129552734 /nfs/dbraw/zinc/55/27/34/1129552734.db2.gz PCYHYVPYLPUQBF-UHFFFAOYSA-N 1 2 344.509 3.618 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922524242 1129562148 /nfs/dbraw/zinc/56/21/48/1129562148.db2.gz CETTZUSXBCEAGD-XLIONFOSSA-N 1 2 337.398 3.947 20 0 EHADLO Clc1ccc(-n2ncc(C[NH2+][C@H](c3ccccn3)C3CC3)n2)cc1 ZINC000922586051 1129584300 /nfs/dbraw/zinc/58/43/00/1129584300.db2.gz JTKAOSUVPHPHHY-SFHVURJKSA-N 1 2 339.830 3.557 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(F)ccc1OC ZINC000922621461 1129599512 /nfs/dbraw/zinc/59/95/12/1129599512.db2.gz LOSBFAOVDJLCEZ-SFHVURJKSA-N 1 2 340.402 3.656 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428959867 1129639746 /nfs/dbraw/zinc/63/97/46/1129639746.db2.gz ZGVBBNNIKQTWOW-MRXNPFEDSA-N 1 2 340.471 3.739 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000338877608 1129656711 /nfs/dbraw/zinc/65/67/11/1129656711.db2.gz GIPLKDAFUCSLOC-HNNXBMFYSA-N 1 2 346.471 3.725 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021002 1129660013 /nfs/dbraw/zinc/66/00/13/1129660013.db2.gz DUHHHPAITOLMJG-UXHICEINSA-N 1 2 345.483 3.887 20 0 EHADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021002 1129660016 /nfs/dbraw/zinc/66/00/16/1129660016.db2.gz DUHHHPAITOLMJG-UXHICEINSA-N 1 2 345.483 3.887 20 0 EHADLO COc1ccc(C[N@H+](Cc2cc(C)on2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282398111 1129693334 /nfs/dbraw/zinc/69/33/34/1129693334.db2.gz HKSLBDYCNCMYKG-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cc(C)on2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282398111 1129693336 /nfs/dbraw/zinc/69/33/36/1129693336.db2.gz HKSLBDYCNCMYKG-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO COCC[N@H+](CC(=O)c1c[nH]c2ccc(F)cc21)Cc1cccs1 ZINC000625051663 1129716270 /nfs/dbraw/zinc/71/62/70/1129716270.db2.gz DMAYLENICIFBDB-UHFFFAOYSA-N 1 2 346.427 3.700 20 0 EHADLO COCC[N@@H+](CC(=O)c1c[nH]c2ccc(F)cc21)Cc1cccs1 ZINC000625051663 1129716272 /nfs/dbraw/zinc/71/62/72/1129716272.db2.gz DMAYLENICIFBDB-UHFFFAOYSA-N 1 2 346.427 3.700 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1nc(C(F)(F)F)cs1 ZINC000657898324 1129719541 /nfs/dbraw/zinc/71/95/41/1129719541.db2.gz CNVZWFDCWIUJFS-NXEZZACHSA-N 1 2 330.379 3.934 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000021670981 1129730550 /nfs/dbraw/zinc/73/05/50/1129730550.db2.gz QMCGKMVITUPGDR-CYBMUJFWSA-N 1 2 336.888 3.847 20 0 EHADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000021670981 1129730556 /nfs/dbraw/zinc/73/05/56/1129730556.db2.gz QMCGKMVITUPGDR-CYBMUJFWSA-N 1 2 336.888 3.847 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@@H+](CCOC1CCOCC1)C2 ZINC000625216334 1129766646 /nfs/dbraw/zinc/76/66/46/1129766646.db2.gz DIOCRFBYHVEOGM-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO Clc1cc(Cl)c2c(c1)CC[N@H+](CCOC1CCOCC1)C2 ZINC000625216334 1129766651 /nfs/dbraw/zinc/76/66/51/1129766651.db2.gz DIOCRFBYHVEOGM-UHFFFAOYSA-N 1 2 330.255 3.547 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1cnc(-c2ccsc2)s1)CC(C)C ZINC000509121968 1129775232 /nfs/dbraw/zinc/77/52/32/1129775232.db2.gz JSXQCSNLNZCSRB-UHFFFAOYSA-N 1 2 338.498 3.893 20 0 EHADLO CCOC(=O)C[N@H+](Cc1cnc(-c2ccsc2)s1)CC(C)C ZINC000509121968 1129775236 /nfs/dbraw/zinc/77/52/36/1129775236.db2.gz JSXQCSNLNZCSRB-UHFFFAOYSA-N 1 2 338.498 3.893 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000429110719 1129781446 /nfs/dbraw/zinc/78/14/46/1129781446.db2.gz AXDPUGLLGLLYMO-AWEZNQCLSA-N 1 2 336.892 3.948 20 0 EHADLO CC(C)c1nnc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000429110719 1129781448 /nfs/dbraw/zinc/78/14/48/1129781448.db2.gz AXDPUGLLGLLYMO-AWEZNQCLSA-N 1 2 336.892 3.948 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)c(Cl)c3)[nH+]c12 ZINC000673723617 1129810750 /nfs/dbraw/zinc/81/07/50/1129810750.db2.gz YLLPMKPBZDPDPY-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000673723900 1129811444 /nfs/dbraw/zinc/81/14/44/1129811444.db2.gz IEAJKPUKBPAEFW-UHFFFAOYSA-N 1 2 335.451 3.913 20 0 EHADLO COc1ccccc1C[N@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000509129250 1129824149 /nfs/dbraw/zinc/82/41/49/1129824149.db2.gz VZBAIFIIBCVFPY-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO COc1ccccc1C[N@@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000509129250 1129824151 /nfs/dbraw/zinc/82/41/51/1129824151.db2.gz VZBAIFIIBCVFPY-UHFFFAOYSA-N 1 2 340.250 3.997 20 0 EHADLO Cc1cc2[nH]c(C(=O)NCCc3cn4cccc(C)c4[nH+]3)cc2c(C)c1 ZINC000673746999 1129825805 /nfs/dbraw/zinc/82/58/05/1129825805.db2.gz MMCWMPLZQFSJFJ-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO CCO[C@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334354 1129830199 /nfs/dbraw/zinc/83/01/99/1129830199.db2.gz QBHJAJIZACJENM-SJORKVTESA-N 1 2 327.827 3.668 20 0 EHADLO CCO[C@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1)C1CC1 ZINC000625334354 1129830202 /nfs/dbraw/zinc/83/02/02/1129830202.db2.gz QBHJAJIZACJENM-SJORKVTESA-N 1 2 327.827 3.668 20 0 EHADLO CSc1ccccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673757405 1129831344 /nfs/dbraw/zinc/83/13/44/1129831344.db2.gz DFPCPBUTJVBKLG-UHFFFAOYSA-N 1 2 340.452 3.729 20 0 EHADLO OC[C@@]1([N@H+](Cc2sccc2Cl)Cc2ccccc2)CCOC1 ZINC000625389678 1129853479 /nfs/dbraw/zinc/85/34/79/1129853479.db2.gz JHTGQRLMKQYALU-KRWDZBQOSA-N 1 2 337.872 3.555 20 0 EHADLO OC[C@@]1([N@@H+](Cc2sccc2Cl)Cc2ccccc2)CCOC1 ZINC000625389678 1129853485 /nfs/dbraw/zinc/85/34/85/1129853485.db2.gz JHTGQRLMKQYALU-KRWDZBQOSA-N 1 2 337.872 3.555 20 0 EHADLO Cc1cccc(F)c1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168745701 1129882409 /nfs/dbraw/zinc/88/24/09/1129882409.db2.gz YSGNMUFFXOTHIY-INIZCTEOSA-N 1 2 332.806 3.574 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cs1 ZINC000673856365 1129886290 /nfs/dbraw/zinc/88/62/90/1129886290.db2.gz IRZUWTZOUPBSOE-YOEHRIQHSA-N 1 2 332.469 3.814 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cs1 ZINC000673856365 1129886296 /nfs/dbraw/zinc/88/62/96/1129886296.db2.gz IRZUWTZOUPBSOE-YOEHRIQHSA-N 1 2 332.469 3.814 20 0 EHADLO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000625459161 1129886552 /nfs/dbraw/zinc/88/65/52/1129886552.db2.gz RZWAPXNWCGZPFH-DLBZAZTESA-N 1 2 341.455 3.811 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625470631 1129894072 /nfs/dbraw/zinc/89/40/72/1129894072.db2.gz GKZQWMUKKOXBPR-GFCCVEGCSA-N 1 2 339.270 3.595 20 0 EHADLO Cn1c(C[N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)nc2ccccc21 ZINC000673927037 1129909016 /nfs/dbraw/zinc/90/90/16/1129909016.db2.gz IQMSXWOVNBMMDP-UHFFFAOYSA-N 1 2 343.814 3.587 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)nc2ccccc21 ZINC000673927037 1129909018 /nfs/dbraw/zinc/90/90/18/1129909018.db2.gz IQMSXWOVNBMMDP-UHFFFAOYSA-N 1 2 343.814 3.587 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[nH+]c1C ZINC000736072722 1131407198 /nfs/dbraw/zinc/40/71/98/1131407198.db2.gz QVNGAHIJJOQJHU-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010321 1129957848 /nfs/dbraw/zinc/95/78/48/1129957848.db2.gz PUVOTNANOKUKSP-FZKQIMNGSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010321 1129957851 /nfs/dbraw/zinc/95/78/51/1129957851.db2.gz PUVOTNANOKUKSP-FZKQIMNGSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646897 1129965237 /nfs/dbraw/zinc/96/52/37/1129965237.db2.gz CNXGQWIEPZJZHX-HZSPNIEDSA-N 1 2 335.398 3.945 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646897 1129965239 /nfs/dbraw/zinc/96/52/39/1129965239.db2.gz CNXGQWIEPZJZHX-HZSPNIEDSA-N 1 2 335.398 3.945 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)C3CCCC3)CC2)c1 ZINC000674103388 1129999622 /nfs/dbraw/zinc/99/96/22/1129999622.db2.gz LODVYVFSUYBHIK-SJORKVTESA-N 1 2 344.499 3.727 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCC1 ZINC000674091541 1130001581 /nfs/dbraw/zinc/00/15/81/1130001581.db2.gz OZDWBJVFTRFADX-MRXNPFEDSA-N 1 2 329.488 3.905 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000658000184 1130007072 /nfs/dbraw/zinc/00/70/72/1130007072.db2.gz VMPSZFRCMRUOKO-VIFPVBQESA-N 1 2 343.656 3.565 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C12CCC2 ZINC000666132148 1130070537 /nfs/dbraw/zinc/07/05/37/1130070537.db2.gz RAWXYTCMZHVXMX-LSDHHAIUSA-N 1 2 342.443 3.582 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)CCC1CCCCC1 ZINC000509226178 1130085346 /nfs/dbraw/zinc/08/53/46/1130085346.db2.gz PMKDEAKEJPFHGO-SJLPKXTDSA-N 1 2 329.488 3.583 20 0 EHADLO CCOC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000172760275 1130159684 /nfs/dbraw/zinc/15/96/84/1130159684.db2.gz ZVIIQEZQTWEFPR-ZDUSSCGKSA-N 1 2 349.862 3.876 20 0 EHADLO Brc1ccsc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675026333 1130242990 /nfs/dbraw/zinc/24/29/90/1130242990.db2.gz BHCVBYRDLFTLCH-UHFFFAOYSA-N 1 2 348.269 3.986 20 0 EHADLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCn1ccccc1=O ZINC000675250944 1130292472 /nfs/dbraw/zinc/29/24/72/1130292472.db2.gz NUSUQKRTWOMCFK-GFCCVEGCSA-N 1 2 337.250 3.774 20 0 EHADLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCn1ccccc1=O ZINC000675250944 1130292474 /nfs/dbraw/zinc/29/24/74/1130292474.db2.gz NUSUQKRTWOMCFK-GFCCVEGCSA-N 1 2 337.250 3.774 20 0 EHADLO FC(F)(F)[C@@H]1C[NH+](Cc2cnc3ccccn23)C[C@H]1C(F)(F)F ZINC000675248047 1130295363 /nfs/dbraw/zinc/29/53/63/1130295363.db2.gz XCPIFGFGEYLJIT-GHMZBOCLSA-N 1 2 337.267 3.507 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000675270745 1130297536 /nfs/dbraw/zinc/29/75/36/1130297536.db2.gz PEDSXNURSWHHFX-SZMVWBNQSA-N 1 2 332.492 3.835 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000766107695 1130323453 /nfs/dbraw/zinc/32/34/53/1130323453.db2.gz VPOOUFUINAPRTE-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000766107695 1130323459 /nfs/dbraw/zinc/32/34/59/1130323459.db2.gz VPOOUFUINAPRTE-KRWDZBQOSA-N 1 2 343.492 3.778 20 0 EHADLO CCC(CC)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000675443173 1130379006 /nfs/dbraw/zinc/37/90/06/1130379006.db2.gz SDDOAGNTYQYFEJ-UHFFFAOYSA-N 1 2 331.504 3.589 20 0 EHADLO O=C(c1ccc(-c2ccco2)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000675780740 1130472003 /nfs/dbraw/zinc/47/20/03/1130472003.db2.gz NYONDEJEAFUOJD-LBPRGKRZSA-N 1 2 327.409 3.751 20 0 EHADLO COc1cncc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000675899285 1130499286 /nfs/dbraw/zinc/49/92/86/1130499286.db2.gz OMDMRCWDKPWILS-GHMZBOCLSA-N 1 2 342.283 3.653 20 0 EHADLO CC(C)[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)Cc1ccccc1 ZINC000675957856 1130509859 /nfs/dbraw/zinc/50/98/59/1130509859.db2.gz QVRIXXVYAMYVMH-WOJBJXKFSA-N 1 2 334.467 3.999 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975672 1130513325 /nfs/dbraw/zinc/51/33/25/1130513325.db2.gz WFFWXHIASPDRDW-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000676041905 1130521125 /nfs/dbraw/zinc/52/11/25/1130521125.db2.gz CINDMTFEPKTYIC-UHFFFAOYSA-N 1 2 345.462 3.747 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000676041905 1130521128 /nfs/dbraw/zinc/52/11/28/1130521128.db2.gz CINDMTFEPKTYIC-UHFFFAOYSA-N 1 2 345.462 3.747 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(COc2ccc(OC)cc2)oc1=S ZINC000727823853 1130601342 /nfs/dbraw/zinc/60/13/42/1130601342.db2.gz LUFKRQKMVDQKQU-ZDUSSCGKSA-N 1 2 349.456 3.625 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(COc2ccc(OC)cc2)oc1=S ZINC000727823853 1130601346 /nfs/dbraw/zinc/60/13/46/1130601346.db2.gz LUFKRQKMVDQKQU-ZDUSSCGKSA-N 1 2 349.456 3.625 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729985146 1130662231 /nfs/dbraw/zinc/66/22/31/1130662231.db2.gz IHQBDIIUUNJORP-KRWDZBQOSA-N 1 2 338.480 3.777 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729985146 1130662234 /nfs/dbraw/zinc/66/22/34/1130662234.db2.gz IHQBDIIUUNJORP-KRWDZBQOSA-N 1 2 338.480 3.777 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000729981820 1130662642 /nfs/dbraw/zinc/66/26/42/1130662642.db2.gz MXZRKMDAJCHVMW-ZDUSSCGKSA-N 1 2 347.509 3.799 20 0 EHADLO S=c1sc(-c2ccccc2)nn1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000729981820 1130662647 /nfs/dbraw/zinc/66/26/47/1130662647.db2.gz MXZRKMDAJCHVMW-ZDUSSCGKSA-N 1 2 347.509 3.799 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2ccccc2)[nH]1 ZINC000731980965 1130872103 /nfs/dbraw/zinc/87/21/03/1130872103.db2.gz GKLZJQMLGIDSBO-UHFFFAOYSA-N 1 2 342.402 3.797 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000732203873 1130900783 /nfs/dbraw/zinc/90/07/83/1130900783.db2.gz KQISXPAQLMXEEB-SJKOYZFVSA-N 1 2 349.862 3.792 20 0 EHADLO CCOCC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000282694959 1131143733 /nfs/dbraw/zinc/14/37/33/1131143733.db2.gz MCJICNAMPRIBMU-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)o1 ZINC000282670272 1131143833 /nfs/dbraw/zinc/14/38/33/1131143833.db2.gz MRSNITDBXXQZSN-CYBMUJFWSA-N 1 2 326.165 3.713 20 0 EHADLO Cc1noc([C@H](C)[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)n1 ZINC000348093672 1131149727 /nfs/dbraw/zinc/14/97/27/1131149727.db2.gz UMGFGTQGKASFNZ-ZDUSSCGKSA-N 1 2 333.395 3.544 20 0 EHADLO C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000736379461 1131420017 /nfs/dbraw/zinc/42/00/17/1131420017.db2.gz HGLFCEVJIJQOFF-HNNXBMFYSA-N 1 2 328.460 3.886 20 0 EHADLO CC[N@H+](Cn1nc(Cc2ccccc2OC)oc1=S)C1CCC1 ZINC000738051701 1131460949 /nfs/dbraw/zinc/46/09/49/1131460949.db2.gz BUWLLZFRZBVTFH-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO CC[N@@H+](Cn1nc(Cc2ccccc2OC)oc1=S)C1CCC1 ZINC000738051701 1131460953 /nfs/dbraw/zinc/46/09/53/1131460953.db2.gz BUWLLZFRZBVTFH-UHFFFAOYSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@@H]1CCC[N@H+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 ZINC000738253481 1131464840 /nfs/dbraw/zinc/46/48/40/1131464840.db2.gz GMUTZRMKDZKOGO-OAHLLOKOSA-N 1 2 346.500 3.881 20 0 EHADLO CC[C@@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 ZINC000738253481 1131464843 /nfs/dbraw/zinc/46/48/43/1131464843.db2.gz GMUTZRMKDZKOGO-OAHLLOKOSA-N 1 2 346.500 3.881 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309999 1131467722 /nfs/dbraw/zinc/46/77/22/1131467722.db2.gz SQTQLAPBPGNJPG-YOEHRIQHSA-N 1 2 327.428 3.698 20 0 EHADLO Cc1ccc(C)c([C@H](C)[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000738309999 1131467726 /nfs/dbraw/zinc/46/77/26/1131467726.db2.gz SQTQLAPBPGNJPG-YOEHRIQHSA-N 1 2 327.428 3.698 20 0 EHADLO CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000738991823 1131491258 /nfs/dbraw/zinc/49/12/58/1131491258.db2.gz BBSXUTIASNXMMM-CXAGYDPISA-N 1 2 333.476 3.817 20 0 EHADLO C[C@H]1C[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C[C@H]1C ZINC000751929098 1131533619 /nfs/dbraw/zinc/53/36/19/1131533619.db2.gz ONHUVOSDMJIXAF-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO C[C@H]1C[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C[C@H]1C ZINC000751929098 1131533624 /nfs/dbraw/zinc/53/36/24/1131533624.db2.gz ONHUVOSDMJIXAF-TXEJJXNPSA-N 1 2 336.892 3.817 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000740853991 1131548345 /nfs/dbraw/zinc/54/83/45/1131548345.db2.gz JZBNHKUVXGYLAV-FXAWDEMLSA-N 1 2 346.446 3.731 20 0 EHADLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000740853991 1131548349 /nfs/dbraw/zinc/54/83/49/1131548349.db2.gz JZBNHKUVXGYLAV-FXAWDEMLSA-N 1 2 346.446 3.731 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943487 1131559014 /nfs/dbraw/zinc/55/90/14/1131559014.db2.gz VXSXAZDQNRZUDA-CHWSQXEVSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943487 1131559018 /nfs/dbraw/zinc/55/90/18/1131559018.db2.gz VXSXAZDQNRZUDA-CHWSQXEVSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943225 1131559560 /nfs/dbraw/zinc/55/95/60/1131559560.db2.gz SZPNRAVLSPRFTC-QWHCGFSZSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943225 1131559562 /nfs/dbraw/zinc/55/95/62/1131559562.db2.gz SZPNRAVLSPRFTC-QWHCGFSZSA-N 1 2 330.378 3.911 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986848 1131564114 /nfs/dbraw/zinc/56/41/14/1131564114.db2.gz GVABKPHIBHBFNL-LSDHHAIUSA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000740986848 1131564118 /nfs/dbraw/zinc/56/41/18/1131564118.db2.gz GVABKPHIBHBFNL-LSDHHAIUSA-N 1 2 327.399 3.877 20 0 EHADLO CC(C)[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)c1ccccc1 ZINC000741028735 1131571435 /nfs/dbraw/zinc/57/14/35/1131571435.db2.gz HUJPGTWKDPTFRS-QFBILLFUSA-N 1 2 331.456 3.702 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(C)ccc1OC)c1ccccc1 ZINC000741150667 1131583820 /nfs/dbraw/zinc/58/38/20/1131583820.db2.gz KQSOBTHJRAYMSP-LJQANCHMSA-N 1 2 327.424 3.740 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(C)ccc1OC)c1ccccc1 ZINC000741150667 1131583824 /nfs/dbraw/zinc/58/38/24/1131583824.db2.gz KQSOBTHJRAYMSP-LJQANCHMSA-N 1 2 327.424 3.740 20 0 EHADLO COc1ccccc1COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356558 1131598654 /nfs/dbraw/zinc/59/86/54/1131598654.db2.gz XWKDDNPLLRUNTM-LJQANCHMSA-N 1 2 339.435 3.793 20 0 EHADLO COc1ccccc1COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356558 1131598659 /nfs/dbraw/zinc/59/86/59/1131598659.db2.gz XWKDDNPLLRUNTM-LJQANCHMSA-N 1 2 339.435 3.793 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000742015130 1131680308 /nfs/dbraw/zinc/68/03/08/1131680308.db2.gz ZDDLMWXOWPXQIX-BUYIWHAFSA-N 1 2 332.875 3.902 20 0 EHADLO CC[N@H+](CC(C)C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144987 1131690657 /nfs/dbraw/zinc/69/06/57/1131690657.db2.gz ARWWBHRNFLAHTD-UHFFFAOYSA-N 1 2 326.416 3.821 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000742144987 1131690660 /nfs/dbraw/zinc/69/06/60/1131690660.db2.gz ARWWBHRNFLAHTD-UHFFFAOYSA-N 1 2 326.416 3.821 20 0 EHADLO C[C@@H]1C[N@H+](Cn2nc(N(C)C)sc2=S)CC[C@H]1c1ccccc1 ZINC000742164389 1131691975 /nfs/dbraw/zinc/69/19/75/1131691975.db2.gz HHUUENMBTCFPRT-UKRRQHHQSA-N 1 2 348.541 3.823 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2nc(N(C)C)sc2=S)CC[C@H]1c1ccccc1 ZINC000742164389 1131691978 /nfs/dbraw/zinc/69/19/78/1131691978.db2.gz HHUUENMBTCFPRT-UKRRQHHQSA-N 1 2 348.541 3.823 20 0 EHADLO C[C@@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000742197345 1131695815 /nfs/dbraw/zinc/69/58/15/1131695815.db2.gz RAKIUHARCHYNRV-APWZRJJASA-N 1 2 340.492 3.683 20 0 EHADLO C[C@@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000742197345 1131695816 /nfs/dbraw/zinc/69/58/16/1131695816.db2.gz RAKIUHARCHYNRV-APWZRJJASA-N 1 2 340.492 3.683 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc(Cl)cn2)CC1 ZINC000742176265 1131697483 /nfs/dbraw/zinc/69/74/83/1131697483.db2.gz IEUJVEDYPJJFIQ-CYBMUJFWSA-N 1 2 339.270 3.526 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000742238475 1131700007 /nfs/dbraw/zinc/70/00/07/1131700007.db2.gz YVEYJALXPHODFI-UHFFFAOYSA-N 1 2 332.394 3.641 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000742238475 1131700011 /nfs/dbraw/zinc/70/00/11/1131700011.db2.gz YVEYJALXPHODFI-UHFFFAOYSA-N 1 2 332.394 3.641 20 0 EHADLO Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c2cccc(F)c2n1 ZINC001212666373 1131763659 /nfs/dbraw/zinc/76/36/59/1131763659.db2.gz LOZUJXMMKFMWQQ-UHFFFAOYSA-N 1 2 337.398 3.602 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000742631922 1131764167 /nfs/dbraw/zinc/76/41/67/1131764167.db2.gz RTPLJUIZCFDOCO-LJQANCHMSA-N 1 2 326.525 3.600 20 0 EHADLO CCCCCC[C@@](C)(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000742631922 1131764170 /nfs/dbraw/zinc/76/41/70/1131764170.db2.gz RTPLJUIZCFDOCO-LJQANCHMSA-N 1 2 326.525 3.600 20 0 EHADLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(=O)OC(C)(C)C ZINC001172576497 1131780891 /nfs/dbraw/zinc/78/08/91/1131780891.db2.gz NVCMRGOKKORTPL-JTQLQIEISA-N 1 2 333.806 3.871 20 0 EHADLO CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642130 1131798259 /nfs/dbraw/zinc/79/82/59/1131798259.db2.gz MJJXQLGPWUTTEK-YHUYYLMFSA-N 1 2 346.462 3.937 20 0 EHADLO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642130 1131798261 /nfs/dbraw/zinc/79/82/61/1131798261.db2.gz MJJXQLGPWUTTEK-YHUYYLMFSA-N 1 2 346.462 3.937 20 0 EHADLO CCCC[C@@H]1C[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642124 1131798688 /nfs/dbraw/zinc/79/86/88/1131798688.db2.gz MJJXQLGPWUTTEK-KLHDSHLOSA-N 1 2 346.462 3.937 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000742857244 1131807871 /nfs/dbraw/zinc/80/78/71/1131807871.db2.gz DOFYHTHUGRRKQY-GNISGLHKSA-N 1 2 349.409 3.673 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C=C1CCCC1 ZINC000742942340 1131816494 /nfs/dbraw/zinc/81/64/94/1131816494.db2.gz MRYRIKXGAUKUGS-UHFFFAOYSA-N 1 2 327.472 3.647 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000743023331 1131838323 /nfs/dbraw/zinc/83/83/23/1131838323.db2.gz WQSSXJGDLDDFRP-KRWDZBQOSA-N 1 2 342.512 3.501 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CCCCC1 ZINC001172855153 1131872985 /nfs/dbraw/zinc/87/29/85/1131872985.db2.gz WGUXWXDSYBQFNL-GFCCVEGCSA-N 1 2 327.827 3.876 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2c(F)ccc(C)c2F)[nH+]1 ZINC000766295281 1131875464 /nfs/dbraw/zinc/87/54/64/1131875464.db2.gz OIGJRYJKCLVIGZ-UHFFFAOYSA-N 1 2 349.377 3.783 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172863913 1131881864 /nfs/dbraw/zinc/88/18/64/1131881864.db2.gz REDHPSJECWXLCD-ZETCQYMHSA-N 1 2 337.704 3.602 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@H](C)CSc1ccc(Cl)cc1)C(C)C ZINC001172874782 1131892627 /nfs/dbraw/zinc/89/26/27/1131892627.db2.gz INEYAATUJKNBOG-DOMZBBRYSA-N 1 2 329.893 3.998 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000743348433 1131905830 /nfs/dbraw/zinc/90/58/30/1131905830.db2.gz XJXVXBZRQFSELV-GOSISDBHSA-N 1 2 344.842 3.712 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000743348433 1131905838 /nfs/dbraw/zinc/90/58/38/1131905838.db2.gz XJXVXBZRQFSELV-GOSISDBHSA-N 1 2 344.842 3.712 20 0 EHADLO COc1cccc(C[N@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000743347453 1131906170 /nfs/dbraw/zinc/90/61/70/1131906170.db2.gz PYDNWBCBZGMOPB-SFHVURJKSA-N 1 2 344.842 3.712 20 0 EHADLO COc1cccc(C[N@@H+](C)CN2C(=O)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000743347453 1131906175 /nfs/dbraw/zinc/90/61/75/1131906175.db2.gz PYDNWBCBZGMOPB-SFHVURJKSA-N 1 2 344.842 3.712 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000743350712 1131907193 /nfs/dbraw/zinc/90/71/93/1131907193.db2.gz QNUXMKLTJQQZMM-KBXCAEBGSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000743350712 1131907197 /nfs/dbraw/zinc/90/71/97/1131907197.db2.gz QNUXMKLTJQQZMM-KBXCAEBGSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000743350715 1131907909 /nfs/dbraw/zinc/90/79/09/1131907909.db2.gz QNUXMKLTJQQZMM-RDTXWAMCSA-N 1 2 328.843 3.949 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000743350715 1131907914 /nfs/dbraw/zinc/90/79/14/1131907914.db2.gz QNUXMKLTJQQZMM-RDTXWAMCSA-N 1 2 328.843 3.949 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)CN1C(=O)CC12CCC2 ZINC000743349239 1131907958 /nfs/dbraw/zinc/90/79/58/1131907958.db2.gz CPUQTRZPNOJRAG-UHFFFAOYSA-N 1 2 327.255 3.928 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)CN1C(=O)CC12CCC2 ZINC000743349239 1131907961 /nfs/dbraw/zinc/90/79/61/1131907961.db2.gz CPUQTRZPNOJRAG-UHFFFAOYSA-N 1 2 327.255 3.928 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000743389433 1131909438 /nfs/dbraw/zinc/90/94/38/1131909438.db2.gz BPIRAFOEQWKNSZ-UHFFFAOYSA-N 1 2 344.484 3.635 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000743389433 1131909444 /nfs/dbraw/zinc/90/94/44/1131909444.db2.gz BPIRAFOEQWKNSZ-UHFFFAOYSA-N 1 2 344.484 3.635 20 0 EHADLO CC(C)[C@H]1C[N@H+](CN2c3cccc4cccc(c34)C2=O)CCS1 ZINC000743394886 1131910452 /nfs/dbraw/zinc/91/04/52/1131910452.db2.gz DGGJLMGKRLCOLX-QGZVFWFLSA-N 1 2 326.465 3.831 20 0 EHADLO CC(C)[C@H]1C[N@@H+](CN2c3cccc4cccc(c34)C2=O)CCS1 ZINC000743394886 1131910458 /nfs/dbraw/zinc/91/04/58/1131910458.db2.gz DGGJLMGKRLCOLX-QGZVFWFLSA-N 1 2 326.465 3.831 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401417 1131913018 /nfs/dbraw/zinc/91/30/18/1131913018.db2.gz ZIMNZBURUGVCEN-UONOGXRCSA-N 1 2 326.535 3.621 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401417 1131913023 /nfs/dbraw/zinc/91/30/23/1131913023.db2.gz ZIMNZBURUGVCEN-UONOGXRCSA-N 1 2 326.535 3.621 20 0 EHADLO c1cn(Cc2ccc(Nc3ccccc3N3CCOCC3)cc2)c[nH+]1 ZINC001212695830 1131929778 /nfs/dbraw/zinc/92/97/78/1131929778.db2.gz UQKQSTDNVHFQQR-UHFFFAOYSA-N 1 2 334.423 3.512 20 0 EHADLO COC(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)cc1F ZINC001212697678 1131936611 /nfs/dbraw/zinc/93/66/11/1131936611.db2.gz NFABJKWDHPLYPZ-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO CP(C)(=O)c1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697641 1131936985 /nfs/dbraw/zinc/93/69/85/1131936985.db2.gz LGUNSMJDBKJFCM-UHFFFAOYSA-N 1 2 325.352 3.923 20 0 EHADLO C[C@H](CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000743610873 1131950009 /nfs/dbraw/zinc/95/00/09/1131950009.db2.gz ASPQUVAQHCPLGD-NVXWUHKLSA-N 1 2 342.487 3.685 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC001173085219 1131962532 /nfs/dbraw/zinc/96/25/32/1131962532.db2.gz HWWKYEUKVDUDNW-GFCCVEGCSA-N 1 2 345.361 3.592 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000743850320 1131984861 /nfs/dbraw/zinc/98/48/61/1131984861.db2.gz JHKJLUSYDKZHLA-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000743850320 1131984869 /nfs/dbraw/zinc/98/48/69/1131984869.db2.gz JHKJLUSYDKZHLA-UPRAQXHNSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C/C=C\Cl)CC1 ZINC000743851822 1131986871 /nfs/dbraw/zinc/98/68/71/1131986871.db2.gz QQVNOLQPOABTIR-MDVHNNDNSA-N 1 2 343.696 3.880 20 0 EHADLO COc1cccc2c1C[C@H]([N@H+](C)Cc1csc(C(C)C)n1)CO2 ZINC001173163421 1131989928 /nfs/dbraw/zinc/98/99/28/1131989928.db2.gz FGCXTNJRJLVNBQ-AWEZNQCLSA-N 1 2 332.469 3.711 20 0 EHADLO COc1cccc2c1C[C@H]([N@@H+](C)Cc1csc(C(C)C)n1)CO2 ZINC001173163421 1131989933 /nfs/dbraw/zinc/98/99/33/1131989933.db2.gz FGCXTNJRJLVNBQ-AWEZNQCLSA-N 1 2 332.469 3.711 20 0 EHADLO CCCC[C@H](CC(C)C)[NH2+][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001173252506 1132020272 /nfs/dbraw/zinc/02/02/72/1132020272.db2.gz JCTCNSZACUGMLN-BHIYHBOVSA-N 1 2 335.488 3.674 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173342870 1132055667 /nfs/dbraw/zinc/05/56/67/1132055667.db2.gz CEFDLHOJZHPTKZ-MRXNPFEDSA-N 1 2 345.487 3.769 20 0 EHADLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173342870 1132055674 /nfs/dbraw/zinc/05/56/74/1132055674.db2.gz CEFDLHOJZHPTKZ-MRXNPFEDSA-N 1 2 345.487 3.769 20 0 EHADLO OCCc1ccc2c(c1)O[C@@H]([NH2+][C@H]1CCCC3(CCCCC3)C1)O2 ZINC001173346129 1132057565 /nfs/dbraw/zinc/05/75/65/1132057565.db2.gz ZMUICDRNUAVLOP-LPHOPBHVSA-N 1 2 331.456 3.759 20 0 EHADLO CC(C)C[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001173471268 1132084789 /nfs/dbraw/zinc/08/47/89/1132084789.db2.gz HSKPVZBRDARQGQ-KRWDZBQOSA-N 1 2 339.426 3.778 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1 ZINC000744430911 1132096162 /nfs/dbraw/zinc/09/61/62/1132096162.db2.gz AALMVLRLCOLHGM-OAHLLOKOSA-N 1 2 338.879 3.503 20 0 EHADLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1 ZINC000744430911 1132096171 /nfs/dbraw/zinc/09/61/71/1132096171.db2.gz AALMVLRLCOLHGM-OAHLLOKOSA-N 1 2 338.879 3.503 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000744430673 1132096202 /nfs/dbraw/zinc/09/62/02/1132096202.db2.gz GWFLJUXCGVDGOE-AWEZNQCLSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000744430673 1132096210 /nfs/dbraw/zinc/09/62/10/1132096210.db2.gz GWFLJUXCGVDGOE-AWEZNQCLSA-N 1 2 342.405 3.989 20 0 EHADLO CCOc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001173851656 1132155147 /nfs/dbraw/zinc/15/51/47/1132155147.db2.gz RGRYVSASEHQUIG-OKILXGFUSA-N 1 2 342.443 3.541 20 0 EHADLO COc1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc(OC)c1OC ZINC001173904155 1132168163 /nfs/dbraw/zinc/16/81/63/1132168163.db2.gz XFMKSQHGTLHGJV-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COc1ccc(C(C)C)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001173916851 1132173726 /nfs/dbraw/zinc/17/37/26/1132173726.db2.gz DAVCTOXSHFSISM-UHFFFAOYSA-N 1 2 327.428 3.794 20 0 EHADLO COC(=O)c1cccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001173961905 1132184177 /nfs/dbraw/zinc/18/41/77/1132184177.db2.gz JBJBAJZUKNCCDG-UHFFFAOYSA-N 1 2 343.383 3.959 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745079104 1132195033 /nfs/dbraw/zinc/19/50/33/1132195033.db2.gz JVIBPKPMDLECOS-OAHLLOKOSA-N 1 2 334.803 3.523 20 0 EHADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000745079104 1132195038 /nfs/dbraw/zinc/19/50/38/1132195038.db2.gz JVIBPKPMDLECOS-OAHLLOKOSA-N 1 2 334.803 3.523 20 0 EHADLO COc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1OC ZINC001174014333 1132203293 /nfs/dbraw/zinc/20/32/93/1132203293.db2.gz KMFHQEZDTMDTBI-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO O=C(c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1)N1CCCC1 ZINC001174066817 1132214751 /nfs/dbraw/zinc/21/47/51/1132214751.db2.gz VRXIZLCOZRHXBD-UHFFFAOYSA-N 1 2 340.814 3.967 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC001174080636 1132239397 /nfs/dbraw/zinc/23/93/97/1132239397.db2.gz CHLWHNXTWPVWHM-UHFFFAOYSA-N 1 2 325.412 3.896 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccccc3N3CC[C@H](O)C3)ccc21 ZINC001174383981 1132344372 /nfs/dbraw/zinc/34/43/72/1132344372.db2.gz BUNOJDKALMKHKG-INIZCTEOSA-N 1 2 336.439 3.932 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cncc(N4CCOCC4)c3)ccc21 ZINC001174382209 1132344922 /nfs/dbraw/zinc/34/49/22/1132344922.db2.gz DVGNQVRIZYELQB-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3cc(F)ccc3C(F)(F)F)c[nH+]2)C1 ZINC001174484526 1132369079 /nfs/dbraw/zinc/36/90/79/1132369079.db2.gz JPDWGCXVZPRIGS-LBPRGKRZSA-N 1 2 341.308 3.554 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cnc(C(C)C)s2)n1 ZINC000746142306 1132382508 /nfs/dbraw/zinc/38/25/08/1132382508.db2.gz PVBZUCZSVZPBNC-UHFFFAOYSA-N 1 2 338.502 3.817 20 0 EHADLO CNc1ncc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2n1 ZINC001174531711 1132385238 /nfs/dbraw/zinc/38/52/38/1132385238.db2.gz AZRSCIUSXNWEPX-UHFFFAOYSA-N 1 2 330.395 3.660 20 0 EHADLO c1cc(-c2cccc(Nc3ccccc3C[NH+]3CCOCC3)c2)n[nH]1 ZINC001174508285 1132393137 /nfs/dbraw/zinc/39/31/37/1132393137.db2.gz KXOJHUQGRCOZIF-UHFFFAOYSA-N 1 2 334.423 3.653 20 0 EHADLO CCC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000185776393 1132418761 /nfs/dbraw/zinc/41/87/61/1132418761.db2.gz RYLHGCSIJRWMHK-UHFFFAOYSA-N 1 2 330.472 3.818 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1F ZINC001174742312 1132456482 /nfs/dbraw/zinc/45/64/82/1132456482.db2.gz JMUIENWHAKWZIY-HUUCEWRRSA-N 1 2 342.842 3.777 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1F ZINC001174742312 1132456488 /nfs/dbraw/zinc/45/64/88/1132456488.db2.gz JMUIENWHAKWZIY-HUUCEWRRSA-N 1 2 342.842 3.777 20 0 EHADLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000191632040 1132464476 /nfs/dbraw/zinc/46/44/76/1132464476.db2.gz ICNQJRVFRRCSKP-AWEZNQCLSA-N 1 2 325.387 3.678 20 0 EHADLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1nc2ccccc2o1 ZINC000191632040 1132464482 /nfs/dbraw/zinc/46/44/82/1132464482.db2.gz ICNQJRVFRRCSKP-AWEZNQCLSA-N 1 2 325.387 3.678 20 0 EHADLO CC(C)(C)c1csc(C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC000193234110 1132479942 /nfs/dbraw/zinc/47/99/42/1132479942.db2.gz YIDDWWBFRNDPSQ-UHFFFAOYSA-N 1 2 346.500 3.503 20 0 EHADLO CC(C)(C)c1csc(C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC000193234110 1132479944 /nfs/dbraw/zinc/47/99/44/1132479944.db2.gz YIDDWWBFRNDPSQ-UHFFFAOYSA-N 1 2 346.500 3.503 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000193645832 1132482685 /nfs/dbraw/zinc/48/26/85/1132482685.db2.gz RRGYFBPZPZOPPO-SFHVURJKSA-N 1 2 325.456 3.604 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000193645832 1132482692 /nfs/dbraw/zinc/48/26/92/1132482692.db2.gz RRGYFBPZPZOPPO-SFHVURJKSA-N 1 2 325.456 3.604 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+]3CC4(CCCC4)OC[C@H]3C)co2)c1 ZINC001174854160 1132487629 /nfs/dbraw/zinc/48/76/29/1132487629.db2.gz PNCRVWZLEUONNR-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1cccc(-c2nc(C[N@H+]3CC4(CCCC4)OC[C@H]3C)co2)c1 ZINC001174854160 1132487635 /nfs/dbraw/zinc/48/76/35/1132487635.db2.gz PNCRVWZLEUONNR-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO CC[C@H]1C[N@H+](Cn2ncn(CC)c2=S)CC[C@H]1c1ccccc1 ZINC000746382787 1132505126 /nfs/dbraw/zinc/50/51/26/1132505126.db2.gz OIVMUPDBMKTONL-DOTOQJQBSA-N 1 2 330.501 3.907 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2ncn(CC)c2=S)CC[C@H]1c1ccccc1 ZINC000746382787 1132505133 /nfs/dbraw/zinc/50/51/33/1132505133.db2.gz OIVMUPDBMKTONL-DOTOQJQBSA-N 1 2 330.501 3.907 20 0 EHADLO COCc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001174918399 1132506062 /nfs/dbraw/zinc/50/60/62/1132506062.db2.gz BUEYBNJKGVDVCT-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO Clc1ccc2ncc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2c1 ZINC001174974837 1132509962 /nfs/dbraw/zinc/50/99/62/1132509962.db2.gz OESXZFCYHRQJPQ-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)cc1 ZINC000766382102 1132523595 /nfs/dbraw/zinc/52/35/95/1132523595.db2.gz PMKYTLSMCPZPDJ-QWHCGFSZSA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@H](C)C3)[nH]2)cc1 ZINC000766382102 1132523601 /nfs/dbraw/zinc/52/36/01/1132523601.db2.gz PMKYTLSMCPZPDJ-QWHCGFSZSA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(=S)o1 ZINC000766382970 1132523799 /nfs/dbraw/zinc/52/37/99/1132523799.db2.gz VUPXINHTGXKNKK-STQMWFEESA-N 1 2 333.457 3.817 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(=S)o1 ZINC000766382970 1132523807 /nfs/dbraw/zinc/52/38/07/1132523807.db2.gz VUPXINHTGXKNKK-STQMWFEESA-N 1 2 333.457 3.817 20 0 EHADLO CC(C)Oc1cc(F)cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001175140264 1132579303 /nfs/dbraw/zinc/57/93/03/1132579303.db2.gz NHCDQPBOPHSECW-UHFFFAOYSA-N 1 2 345.418 3.713 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1Cl)[NH2+]CCCC(C)(F)F ZINC001175173472 1132589226 /nfs/dbraw/zinc/58/92/26/1132589226.db2.gz IYHYPEXHPKWHCB-CQSZACIVSA-N 1 2 333.806 3.839 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000866981631 1132593682 /nfs/dbraw/zinc/59/36/82/1132593682.db2.gz DQRWCXQZKPAROW-GHTZIAJQSA-N 1 2 339.483 3.641 20 0 EHADLO Oc1ccc(F)c(Nc2cc(Br)cn3cc[nH+]c23)c1F ZINC001175262286 1132621170 /nfs/dbraw/zinc/62/11/70/1132621170.db2.gz BIWYWLILPANBSZ-UHFFFAOYSA-N 1 2 340.127 3.824 20 0 EHADLO CN(C)c1ccc(Nc2ccc(C(=O)OC(C)(C)C)cc2O)c[nH+]1 ZINC001175343603 1132627459 /nfs/dbraw/zinc/62/74/59/1132627459.db2.gz KQJGBVMTFXTZIJ-UHFFFAOYSA-N 1 2 329.400 3.552 20 0 EHADLO CN(C)c1ccc(Nc2ccccc2S(=O)(=O)C2CCCC2)c[nH+]1 ZINC001175344679 1132627817 /nfs/dbraw/zinc/62/78/17/1132627817.db2.gz WCHWSBWRILBIJC-UHFFFAOYSA-N 1 2 345.468 3.608 20 0 EHADLO CN(C)c1ccc(Nc2ccc(C(=O)OC(C)(C)C)c(O)c2)c[nH+]1 ZINC001175346324 1132628783 /nfs/dbraw/zinc/62/87/83/1132628783.db2.gz SVXWLNVHILEJDX-UHFFFAOYSA-N 1 2 329.400 3.552 20 0 EHADLO COc1ccccc1-n1nccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347505 1132629424 /nfs/dbraw/zinc/62/94/24/1132629424.db2.gz MOCHJYDVSDBZOW-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO COc1ncc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346245 1132629512 /nfs/dbraw/zinc/62/95/12/1132629512.db2.gz PRECWHQZJSRYQV-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO O=c1ccccn1-c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175348256 1132629969 /nfs/dbraw/zinc/62/99/69/1132629969.db2.gz CZOMJUZMCSOXEY-UHFFFAOYSA-N 1 2 332.407 3.576 20 0 EHADLO Fc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cnc1Br ZINC001175352035 1132645388 /nfs/dbraw/zinc/64/53/88/1132645388.db2.gz YYOBNEIXUJPIJJ-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](CCCOc2ccccc2C)CCO1 ZINC001175428532 1132666047 /nfs/dbraw/zinc/66/60/47/1132666047.db2.gz YCCHTDSICQIXFZ-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](CCCOc2ccccc2C)CCO1 ZINC001175428532 1132666049 /nfs/dbraw/zinc/66/60/49/1132666049.db2.gz YCCHTDSICQIXFZ-NRFANRHFSA-N 1 2 341.451 3.846 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cccc(F)c1Cl ZINC001169158245 1132682094 /nfs/dbraw/zinc/68/20/94/1132682094.db2.gz FFUSMKXQIIYPTF-UHFFFAOYSA-N 1 2 343.789 3.773 20 0 EHADLO CCS(=O)(=O)c1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001175446955 1132684641 /nfs/dbraw/zinc/68/46/41/1132684641.db2.gz VELGJGSAMZUBER-UHFFFAOYSA-N 1 2 345.468 3.609 20 0 EHADLO Cc1ccc[nH+]c1Nc1ccc2cc(NS(C)(=O)=O)ccc2c1 ZINC001175527327 1132700695 /nfs/dbraw/zinc/70/06/95/1132700695.db2.gz ICBXDLIBIUVOGV-UHFFFAOYSA-N 1 2 327.409 3.658 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2Cc2cccc(OC)c2C)cc1 ZINC001175637921 1132719269 /nfs/dbraw/zinc/71/92/69/1132719269.db2.gz FOQYRXDLGLYIBW-IBGZPJMESA-N 1 2 327.424 3.586 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2Cc2cccc(OC)c2C)cc1 ZINC001175637921 1132719276 /nfs/dbraw/zinc/71/92/76/1132719276.db2.gz FOQYRXDLGLYIBW-IBGZPJMESA-N 1 2 327.424 3.586 20 0 EHADLO CSc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cn1 ZINC001175651021 1132722103 /nfs/dbraw/zinc/72/21/03/1132722103.db2.gz JKLRGAFDBKZWMU-BETUJISGSA-N 1 2 330.457 3.556 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000766667308 1132727329 /nfs/dbraw/zinc/72/73/29/1132727329.db2.gz UGFSQKUOXOMASP-OAHLLOKOSA-N 1 2 334.847 3.610 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000766667308 1132727332 /nfs/dbraw/zinc/72/73/32/1132727332.db2.gz UGFSQKUOXOMASP-OAHLLOKOSA-N 1 2 334.847 3.610 20 0 EHADLO Cn1cc2cc(Nc3cc(Br)c4[nH+]ccn4c3)ccc2n1 ZINC001175617407 1132727339 /nfs/dbraw/zinc/72/73/39/1132727339.db2.gz IRHRDVMHXJHGQA-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Cc1cc(=O)c2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2o1 ZINC001175715157 1132742041 /nfs/dbraw/zinc/74/20/41/1132742041.db2.gz KXFRAUPJUDFORS-UHFFFAOYSA-N 1 2 335.285 3.841 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc3c2C(=O)N(C2CC2)C3)c[nH+]1 ZINC001175714218 1132742165 /nfs/dbraw/zinc/74/21/65/1132742165.db2.gz UQWMEVICIHEBHW-UHFFFAOYSA-N 1 2 348.328 3.544 20 0 EHADLO CCC(CC)NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001687511320 1132747127 /nfs/dbraw/zinc/74/71/27/1132747127.db2.gz SHRISALYQAVBIM-UHFFFAOYSA-N 1 2 340.471 3.576 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)cc1C ZINC001169581455 1132795561 /nfs/dbraw/zinc/79/55/61/1132795561.db2.gz FVJAILXZHRMYGL-LJQANCHMSA-N 1 2 329.415 3.740 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)cc1C ZINC001169581455 1132795567 /nfs/dbraw/zinc/79/55/67/1132795567.db2.gz FVJAILXZHRMYGL-LJQANCHMSA-N 1 2 329.415 3.740 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001176022253 1132822833 /nfs/dbraw/zinc/82/28/33/1132822833.db2.gz ZBNADFPFFRQNPR-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001176022253 1132822842 /nfs/dbraw/zinc/82/28/42/1132822842.db2.gz ZBNADFPFFRQNPR-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cc(C(=O)N(CC)CC)ccc1F ZINC001176066736 1132841618 /nfs/dbraw/zinc/84/16/18/1132841618.db2.gz IBFZLFZPZWINRV-UHFFFAOYSA-N 1 2 331.391 3.845 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc2ncc(-c3cnn(C)c3)cc2c1 ZINC001176120489 1132851878 /nfs/dbraw/zinc/85/18/78/1132851878.db2.gz BSAKKGZDEJRKCH-UHFFFAOYSA-N 1 2 331.379 3.783 20 0 EHADLO CCOc1ccccc1OCCNc1cc(C)[nH+]c(OC(F)F)c1 ZINC001169792739 1132860606 /nfs/dbraw/zinc/86/06/06/1132860606.db2.gz AUHPZFPXTRSHIP-UHFFFAOYSA-N 1 2 338.354 3.881 20 0 EHADLO c1csc(Cn2cc(Nc3ccc[nH+]c3N3CCCC3)cn2)c1 ZINC001176159037 1132868111 /nfs/dbraw/zinc/86/81/11/1132868111.db2.gz KEALVJBMZPWLAZ-UHFFFAOYSA-N 1 2 325.441 3.732 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001169890641 1132882307 /nfs/dbraw/zinc/88/23/07/1132882307.db2.gz PVPCXXNGSUKNLA-HPEXNQPKSA-N 1 2 330.255 3.526 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001169890641 1132882316 /nfs/dbraw/zinc/88/23/16/1132882316.db2.gz PVPCXXNGSUKNLA-HPEXNQPKSA-N 1 2 330.255 3.526 20 0 EHADLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cccc(Cl)c1Cl ZINC001169890392 1132883187 /nfs/dbraw/zinc/88/31/87/1132883187.db2.gz PFIFFRRVIXBZRS-UHFFFAOYSA-N 1 2 331.287 3.536 20 0 EHADLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cccc(Cl)c1Cl ZINC001169890392 1132883194 /nfs/dbraw/zinc/88/31/94/1132883194.db2.gz PFIFFRRVIXBZRS-UHFFFAOYSA-N 1 2 331.287 3.536 20 0 EHADLO CN(C)C(=O)c1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(F)c1 ZINC001176198913 1132886531 /nfs/dbraw/zinc/88/65/31/1132886531.db2.gz IHJCWNIGPHXWED-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO OC1CCN(c2ccc(Nc3cccc(OCC4CC4)c3)c[nH+]2)CC1 ZINC001176492617 1132948439 /nfs/dbraw/zinc/94/84/39/1132948439.db2.gz ZVPZHLYFWSGVLM-UHFFFAOYSA-N 1 2 339.439 3.575 20 0 EHADLO CCOc1cc(Nc2cc(F)cc(N3CCOCC3)c2)cc(C)[nH+]1 ZINC001176500507 1132950280 /nfs/dbraw/zinc/95/02/80/1132950280.db2.gz FMNACRABORLDSD-UHFFFAOYSA-N 1 2 331.391 3.508 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001176643449 1132975518 /nfs/dbraw/zinc/97/55/18/1132975518.db2.gz WIHHQHWXGOQIAK-HNNXBMFYSA-N 1 2 347.846 3.837 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000767333077 1132982332 /nfs/dbraw/zinc/98/23/32/1132982332.db2.gz SAEYWBFYTOISPB-NSHDSACASA-N 1 2 329.753 3.910 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000767333077 1132982337 /nfs/dbraw/zinc/98/23/37/1132982337.db2.gz SAEYWBFYTOISPB-NSHDSACASA-N 1 2 329.753 3.910 20 0 EHADLO c1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc(C2CC2)c1 ZINC001176725125 1132988075 /nfs/dbraw/zinc/98/80/75/1132988075.db2.gz GVPMVEFBUMGESN-UHFFFAOYSA-N 1 2 349.478 3.828 20 0 EHADLO Clc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001176729841 1132988852 /nfs/dbraw/zinc/98/88/52/1132988852.db2.gz PVFZDQLOWHQQLH-UHFFFAOYSA-N 1 2 343.858 3.604 20 0 EHADLO COC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001176749013 1132992188 /nfs/dbraw/zinc/99/21/88/1132992188.db2.gz OHWAWPYXCIQLMW-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO Oc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1Br ZINC001176751022 1132992907 /nfs/dbraw/zinc/99/29/07/1132992907.db2.gz SBYGPLXBBHPOFI-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CCOC(=O)c1ccc(NC)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176751064 1132993050 /nfs/dbraw/zinc/99/30/50/1132993050.db2.gz VJNUXLBOQNIPFZ-UHFFFAOYSA-N 1 2 340.427 3.644 20 0 EHADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001176896797 1133013849 /nfs/dbraw/zinc/01/38/49/1133013849.db2.gz JSQDBOOCRLHARC-MRXNPFEDSA-N 1 2 332.451 3.915 20 0 EHADLO O=C(Nc1csc2cnccc12)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956509 1133015486 /nfs/dbraw/zinc/01/54/86/1133015486.db2.gz DTKJHHYNRVLMQJ-CYBMUJFWSA-N 1 2 338.436 3.546 20 0 EHADLO Cc1cc2ccc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)cc2[nH]1 ZINC001176967256 1133017509 /nfs/dbraw/zinc/01/75/09/1133017509.db2.gz IBWLDKJWSNQEJP-MRXNPFEDSA-N 1 2 334.423 3.726 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1Cl ZINC001177013897 1133021638 /nfs/dbraw/zinc/02/16/38/1133021638.db2.gz QYENNJMOIWOJAZ-INIZCTEOSA-N 1 2 332.806 3.574 20 0 EHADLO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001177057813 1133025664 /nfs/dbraw/zinc/02/56/64/1133025664.db2.gz XZLHUHUGSFBPNK-AWEZNQCLSA-N 1 2 337.464 3.765 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)n1 ZINC000767762474 1133048658 /nfs/dbraw/zinc/04/86/58/1133048658.db2.gz WCSMUUZQRUXASM-QGZVFWFLSA-N 1 2 331.504 3.933 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@@H]2CCC2CCCC2)n1 ZINC000767762474 1133048665 /nfs/dbraw/zinc/04/86/65/1133048665.db2.gz WCSMUUZQRUXASM-QGZVFWFLSA-N 1 2 331.504 3.933 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(CCc2ccccc2)oc1=S ZINC000767773040 1133051410 /nfs/dbraw/zinc/05/14/10/1133051410.db2.gz DOGHIIAAEGFYQF-OAHLLOKOSA-N 1 2 349.525 3.776 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1nc(CCc2ccccc2)oc1=S ZINC000767773040 1133051413 /nfs/dbraw/zinc/05/14/13/1133051413.db2.gz DOGHIIAAEGFYQF-OAHLLOKOSA-N 1 2 349.525 3.776 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667713 1133065195 /nfs/dbraw/zinc/06/51/95/1133065195.db2.gz UUDZTGVKLYALMJ-RHSMWYFYSA-N 1 2 347.890 3.519 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667713 1133065202 /nfs/dbraw/zinc/06/52/02/1133065202.db2.gz UUDZTGVKLYALMJ-RHSMWYFYSA-N 1 2 347.890 3.519 20 0 EHADLO Clc1ccc(C[N@H+](Cn2ccc(Br)n2)C2CC2)cc1 ZINC000767967157 1133078382 /nfs/dbraw/zinc/07/83/82/1133078382.db2.gz VIXKGZVXGGXWNM-UHFFFAOYSA-N 1 2 340.652 3.921 20 0 EHADLO Clc1ccc(C[N@@H+](Cn2ccc(Br)n2)C2CC2)cc1 ZINC000767967157 1133078384 /nfs/dbraw/zinc/07/83/84/1133078384.db2.gz VIXKGZVXGGXWNM-UHFFFAOYSA-N 1 2 340.652 3.921 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177628506 1133088852 /nfs/dbraw/zinc/08/88/52/1133088852.db2.gz OUXNWXXNUSQDEA-GOSISDBHSA-N 1 2 340.423 3.672 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177628506 1133088854 /nfs/dbraw/zinc/08/88/54/1133088854.db2.gz OUXNWXXNUSQDEA-GOSISDBHSA-N 1 2 340.423 3.672 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nc(CO)cs3)c(C)c2c1 ZINC001177698453 1133094619 /nfs/dbraw/zinc/09/46/19/1133094619.db2.gz UBSDLQXEANLUOC-LLVKDONJSA-N 1 2 332.425 3.549 20 0 EHADLO COc1ccccc1/C=C\C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000768170812 1133104922 /nfs/dbraw/zinc/10/49/22/1133104922.db2.gz VSGCTZLQSFVKRE-CLFYSBASSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccccc1/C=C\C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000768170812 1133104925 /nfs/dbraw/zinc/10/49/25/1133104925.db2.gz VSGCTZLQSFVKRE-CLFYSBASSA-N 1 2 344.842 3.932 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001178000591 1133123178 /nfs/dbraw/zinc/12/31/78/1133123178.db2.gz VLFMEWHOTCDMGN-UHFFFAOYSA-N 1 2 347.409 3.649 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000768342939 1133127233 /nfs/dbraw/zinc/12/72/33/1133127233.db2.gz UOCILJDEDNWOOB-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000768342939 1133127235 /nfs/dbraw/zinc/12/72/35/1133127235.db2.gz UOCILJDEDNWOOB-ZDUSSCGKSA-N 1 2 348.340 3.555 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000768512722 1133147683 /nfs/dbraw/zinc/14/76/83/1133147683.db2.gz DDJTVSLFYGCDFP-MRXNPFEDSA-N 1 2 334.826 3.542 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)s1 ZINC001178347557 1133158359 /nfs/dbraw/zinc/15/83/59/1133158359.db2.gz YJVBVNFJIUWXOJ-CYBMUJFWSA-N 1 2 337.876 3.626 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)s1 ZINC001178444477 1133165070 /nfs/dbraw/zinc/16/50/70/1133165070.db2.gz KTPIHRNIIXGEMV-NSHDSACASA-N 1 2 347.875 3.845 20 0 EHADLO Cn1c(C[NH2+]Cc2cnc(Cl)c(F)c2)nc2cccc(Cl)c21 ZINC001178514156 1133174864 /nfs/dbraw/zinc/17/48/64/1133174864.db2.gz SOMFKFMWAIDTMJ-UHFFFAOYSA-N 1 2 339.201 3.704 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000768782708 1133182498 /nfs/dbraw/zinc/18/24/98/1133182498.db2.gz WRQYTTKWNUEWCQ-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000768782708 1133182499 /nfs/dbraw/zinc/18/24/99/1133182499.db2.gz WRQYTTKWNUEWCQ-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO CN(C)C(=O)Nc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001178741817 1133194988 /nfs/dbraw/zinc/19/49/88/1133194988.db2.gz JNHRZLUSVYHLER-UHFFFAOYSA-N 1 2 341.440 3.639 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768912864 1133202267 /nfs/dbraw/zinc/20/22/67/1133202267.db2.gz ZUKVHQQKDMVTTP-VBQJREDUSA-N 1 2 334.410 3.503 20 0 EHADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768912864 1133202273 /nfs/dbraw/zinc/20/22/73/1133202273.db2.gz ZUKVHQQKDMVTTP-VBQJREDUSA-N 1 2 334.410 3.503 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1c[nH]nc1-c1ccccc1 ZINC000768917918 1133202610 /nfs/dbraw/zinc/20/26/10/1133202610.db2.gz BVHQRZMLCCXXCJ-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1c[nH]nc1-c1ccccc1 ZINC000768917918 1133202617 /nfs/dbraw/zinc/20/26/17/1133202617.db2.gz BVHQRZMLCCXXCJ-UHFFFAOYSA-N 1 2 343.434 3.894 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2C)cc1OC ZINC000768928500 1133204561 /nfs/dbraw/zinc/20/45/61/1133204561.db2.gz ZPRSOMJZEWPNTD-UHFFFAOYSA-N 1 2 334.803 3.712 20 0 EHADLO CCc1ccccc1C[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC001179579519 1133261286 /nfs/dbraw/zinc/26/12/86/1133261286.db2.gz ROKAFFRUBPAJRJ-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc[nH+]c1N[C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769537488 1133311443 /nfs/dbraw/zinc/31/14/43/1133311443.db2.gz KJESYWCDOOORKZ-KGLIPLIRSA-N 1 2 335.448 3.680 20 0 EHADLO CN(C)c1cccc(C[N@H+](C)Cc2cccc(O)c2Br)c1 ZINC001180136604 1133328740 /nfs/dbraw/zinc/32/87/40/1133328740.db2.gz HVRKGUHPTAHIKN-UHFFFAOYSA-N 1 2 349.272 3.853 20 0 EHADLO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(O)c2Br)c1 ZINC001180136604 1133328745 /nfs/dbraw/zinc/32/87/45/1133328745.db2.gz HVRKGUHPTAHIKN-UHFFFAOYSA-N 1 2 349.272 3.853 20 0 EHADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000769871491 1133360353 /nfs/dbraw/zinc/36/03/53/1133360353.db2.gz HODNZJWEDVVBNU-ZDUSSCGKSA-N 1 2 340.427 3.591 20 0 EHADLO CN(C)c1ccc(NC(=O)c2cccc3[nH+]ccn32)c(C(F)(F)F)c1 ZINC000770068369 1133383769 /nfs/dbraw/zinc/38/37/69/1133383769.db2.gz GVYJSSWCMGZHSK-UHFFFAOYSA-N 1 2 348.328 3.671 20 0 EHADLO O=C(Nc1ccccc1N1CCCCCC1)c1cccc2[nH+]ccn21 ZINC000770064308 1133388394 /nfs/dbraw/zinc/38/83/94/1133388394.db2.gz MXHAZJBQTHCZSR-UHFFFAOYSA-N 1 2 334.423 3.967 20 0 EHADLO Nc1[nH+]cccc1CN1CCN(Cc2ccccc2)c2ccccc21 ZINC001180768560 1133414108 /nfs/dbraw/zinc/41/41/08/1133414108.db2.gz GZXLAPQVFLMEAU-UHFFFAOYSA-N 1 2 330.435 3.691 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000770399058 1133423030 /nfs/dbraw/zinc/42/30/30/1133423030.db2.gz IZHZJGMHGVVYIM-UHFFFAOYSA-N 1 2 344.418 3.835 20 0 EHADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)cs1 ZINC000770416953 1133425773 /nfs/dbraw/zinc/42/57/73/1133425773.db2.gz KLYLTEXPTGYUHG-CYBMUJFWSA-N 1 2 348.431 3.949 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000770525285 1133441965 /nfs/dbraw/zinc/44/19/65/1133441965.db2.gz WMTFDJBDDQIFHV-QGWWYQLQSA-N 1 2 332.488 3.916 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001204286676 1133443156 /nfs/dbraw/zinc/44/31/56/1133443156.db2.gz LZCHVBCFBRIJNT-YPMHNXCESA-N 1 2 342.842 3.967 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001204286676 1133443158 /nfs/dbraw/zinc/44/31/58/1133443158.db2.gz LZCHVBCFBRIJNT-YPMHNXCESA-N 1 2 342.842 3.967 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1ncn(-c2ccccc2)n1 ZINC000770686134 1133459258 /nfs/dbraw/zinc/45/92/58/1133459258.db2.gz SRUHKGJRXZLGFU-UHFFFAOYSA-N 1 2 346.438 3.877 20 0 EHADLO CCCC(=CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)CCC ZINC000770758368 1133464803 /nfs/dbraw/zinc/46/48/03/1133464803.db2.gz SGCPDGDMRXNKCT-QGZVFWFLSA-N 1 2 329.488 3.813 20 0 EHADLO Cn1c[nH+]cc1COC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000770883463 1133476249 /nfs/dbraw/zinc/47/62/49/1133476249.db2.gz NLBKWJITRHTUGJ-UHFFFAOYSA-N 1 2 326.318 3.505 20 0 EHADLO O=C(CC1c2ccccc2-c2ccccc21)NCCOc1cc[nH+]cc1 ZINC001181309016 1133478367 /nfs/dbraw/zinc/47/83/67/1133478367.db2.gz IFSDWRMHHRMWAI-UHFFFAOYSA-N 1 2 344.414 3.779 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770921316 1133484449 /nfs/dbraw/zinc/48/44/49/1133484449.db2.gz AHDFYLKMEKYHIJ-HNNXBMFYSA-N 1 2 338.407 3.968 20 0 EHADLO CCc1ccc(C(=O)CCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770926205 1133485384 /nfs/dbraw/zinc/48/53/84/1133485384.db2.gz QWJCKPLKEWCAJO-UHFFFAOYSA-N 1 2 336.391 3.603 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccccc1Oc1cccnc1 ZINC000770927484 1133485628 /nfs/dbraw/zinc/48/56/28/1133485628.db2.gz HZERENGKSTZJHX-UHFFFAOYSA-N 1 2 345.358 3.879 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Br)cc1F ZINC000770926750 1133485642 /nfs/dbraw/zinc/48/56/42/1133485642.db2.gz RWXHUCYOHIGEHV-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO Cc1ccc(Nc2ncc(F)cc2I)c(C)[nH+]1 ZINC001203367132 1133488255 /nfs/dbraw/zinc/48/82/55/1133488255.db2.gz HOLDDAYOOROTSW-UHFFFAOYSA-N 1 2 343.143 3.581 20 0 EHADLO CSc1cccnc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000771473471 1133559814 /nfs/dbraw/zinc/55/98/14/1133559814.db2.gz DXKSSDDLMGFSJF-UHFFFAOYSA-N 1 2 335.392 3.706 20 0 EHADLO CCOC(=O)c1c(Nc2ccc(C)[nH+]c2C)sc2c1CCOC2 ZINC001203370630 1133588055 /nfs/dbraw/zinc/58/80/55/1133588055.db2.gz QFARDZMRKDSXLA-UHFFFAOYSA-N 1 2 332.425 3.753 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NCc1ccncc1F)c1ccccc1Cl ZINC001182223364 1133598609 /nfs/dbraw/zinc/59/86/09/1133598609.db2.gz JBVNINYYVJQUQY-QGZVFWFLSA-N 1 2 349.837 3.573 20 0 EHADLO O=C(Nc1ccnnc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243899 1133600054 /nfs/dbraw/zinc/60/00/54/1133600054.db2.gz KUGUXHUTFNPHKM-KRWDZBQOSA-N 1 2 344.846 3.686 20 0 EHADLO Cn1cncc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246436 1133600478 /nfs/dbraw/zinc/60/04/78/1133600478.db2.gz XGRINFVZKMAMNH-KRWDZBQOSA-N 1 2 346.862 3.629 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000771896200 1133612741 /nfs/dbraw/zinc/61/27/41/1133612741.db2.gz OFNCXKIMRRJTOA-UHFFFAOYSA-N 1 2 326.327 3.672 20 0 EHADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000771975788 1133629544 /nfs/dbraw/zinc/62/95/44/1133629544.db2.gz LPTUZNORHRRMCD-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182441127 1133664213 /nfs/dbraw/zinc/66/42/13/1133664213.db2.gz ONBUCIMYAKRISW-IBGZPJMESA-N 1 2 333.391 3.549 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000772279399 1133672730 /nfs/dbraw/zinc/67/27/30/1133672730.db2.gz CGRZDQUWBGPPCK-MRVPVSSYSA-N 1 2 326.131 3.972 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000772279399 1133672731 /nfs/dbraw/zinc/67/27/31/1133672731.db2.gz CGRZDQUWBGPPCK-MRVPVSSYSA-N 1 2 326.131 3.972 20 0 EHADLO Fc1cccc(Br)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000772279400 1133672744 /nfs/dbraw/zinc/67/27/44/1133672744.db2.gz CGRZDQUWBGPPCK-QMMMGPOBSA-N 1 2 326.131 3.972 20 0 EHADLO Fc1cccc(Br)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000772279400 1133672748 /nfs/dbraw/zinc/67/27/48/1133672748.db2.gz CGRZDQUWBGPPCK-QMMMGPOBSA-N 1 2 326.131 3.972 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C3(F)CCCC3)n2)CC1 ZINC000772350653 1133673722 /nfs/dbraw/zinc/67/37/22/1133673722.db2.gz HQNCTJUSTUXVEB-UHFFFAOYSA-N 1 2 325.453 3.596 20 0 EHADLO C[C@H]1C(=O)N(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000785516105 1133716270 /nfs/dbraw/zinc/71/62/70/1133716270.db2.gz GCCJYFLIFOPPMF-AEFFLSMTSA-N 1 2 342.483 3.587 20 0 EHADLO C[C@H]1C(=O)N(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000785516105 1133716273 /nfs/dbraw/zinc/71/62/73/1133716273.db2.gz GCCJYFLIFOPPMF-AEFFLSMTSA-N 1 2 342.483 3.587 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cn1nc2ccccn2c1=S ZINC000785517908 1133717544 /nfs/dbraw/zinc/71/75/44/1133717544.db2.gz SMSCMHWYZJEHDN-UHFFFAOYSA-N 1 2 337.452 3.826 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cn1nc2ccccn2c1=S ZINC000785517908 1133717546 /nfs/dbraw/zinc/71/75/46/1133717546.db2.gz SMSCMHWYZJEHDN-UHFFFAOYSA-N 1 2 337.452 3.826 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710080 1133746179 /nfs/dbraw/zinc/74/61/79/1133746179.db2.gz BUSDPVDSICQOLU-PMACEKPBSA-N 1 2 341.451 3.872 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000785710080 1133746184 /nfs/dbraw/zinc/74/61/84/1133746184.db2.gz BUSDPVDSICQOLU-PMACEKPBSA-N 1 2 341.451 3.872 20 0 EHADLO CC1(C)CCC[C@H]1CC[NH2+]Cc1ncc(Br)cc1O ZINC001183012032 1133758086 /nfs/dbraw/zinc/75/80/86/1133758086.db2.gz NWBKMZSWHLIUCG-NSHDSACASA-N 1 2 327.266 3.856 20 0 EHADLO Cc1cccc(COCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001183030278 1133759373 /nfs/dbraw/zinc/75/93/73/1133759373.db2.gz PALAGVGCXPGFND-KRWDZBQOSA-N 1 2 349.434 3.575 20 0 EHADLO CC(C)c1nc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC001183019027 1133761091 /nfs/dbraw/zinc/76/10/91/1133761091.db2.gz TXTXUKAIUUCCFV-CYBMUJFWSA-N 1 2 340.452 3.943 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001183351021 1133797466 /nfs/dbraw/zinc/79/74/66/1133797466.db2.gz YHLLCHOPQFJNBH-QGZVFWFLSA-N 1 2 346.434 3.850 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)cs1 ZINC000774621660 1133797543 /nfs/dbraw/zinc/79/75/43/1133797543.db2.gz UAIQPNUIQOEUDZ-CQSZACIVSA-N 1 2 328.840 3.663 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)cs1 ZINC000774621660 1133797546 /nfs/dbraw/zinc/79/75/46/1133797546.db2.gz UAIQPNUIQOEUDZ-CQSZACIVSA-N 1 2 328.840 3.663 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](c1ccccc1)C(C)C ZINC001183578426 1133830009 /nfs/dbraw/zinc/83/00/09/1133830009.db2.gz PZEVVCHZABTAFM-KRWDZBQOSA-N 1 2 331.485 3.507 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c2nccc(C)c2c1 ZINC000786435097 1133848735 /nfs/dbraw/zinc/84/87/35/1133848735.db2.gz DHGVJJKOPNEZSS-UHFFFAOYSA-N 1 2 334.423 3.873 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747631 1133852241 /nfs/dbraw/zinc/85/22/41/1133852241.db2.gz LLPUHNNOZHQBBI-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1cncc(-c2ccccc2)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747631 1133852250 /nfs/dbraw/zinc/85/22/50/1133852250.db2.gz LLPUHNNOZHQBBI-OAQYLSRUSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ccc(F)c2cnccc12)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183751467 1133855157 /nfs/dbraw/zinc/85/51/57/1133855157.db2.gz IVFQEOLBYRHHPV-IBGZPJMESA-N 1 2 335.382 3.587 20 0 EHADLO O=C(Nc1ccc(F)c2cnccc12)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183751467 1133855165 /nfs/dbraw/zinc/85/51/65/1133855165.db2.gz IVFQEOLBYRHHPV-IBGZPJMESA-N 1 2 335.382 3.587 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447885 1133855714 /nfs/dbraw/zinc/85/57/14/1133855714.db2.gz ZEOBJSHPGRDCRR-LXZKKBNFSA-N 1 2 344.842 3.662 20 0 EHADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000786447885 1133855726 /nfs/dbraw/zinc/85/57/26/1133855726.db2.gz ZEOBJSHPGRDCRR-LXZKKBNFSA-N 1 2 344.842 3.662 20 0 EHADLO CC(C)Cc1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)cn1 ZINC001183958187 1133881421 /nfs/dbraw/zinc/88/14/21/1133881421.db2.gz ILYHIQKOULLVCC-UHFFFAOYSA-N 1 2 343.515 3.719 20 0 EHADLO CC(C)Cc1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)cn1 ZINC001183958187 1133881428 /nfs/dbraw/zinc/88/14/28/1133881428.db2.gz ILYHIQKOULLVCC-UHFFFAOYSA-N 1 2 343.515 3.719 20 0 EHADLO NC(=[NH+]OCc1ccc(Cl)nc1C(F)(F)F)c1ccccc1 ZINC000786731541 1133892637 /nfs/dbraw/zinc/89/26/37/1133892637.db2.gz BHKYILKASKDYSM-UHFFFAOYSA-N 1 2 329.709 3.801 20 0 EHADLO CC(C)[N@@H+](Cc1cccc(Br)c1)Cn1ccsc1=O ZINC000746611518 1133909214 /nfs/dbraw/zinc/90/92/14/1133909214.db2.gz OKILIIBZUGWYCC-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO CC(C)[N@H+](Cc1cccc(Br)c1)Cn1ccsc1=O ZINC000746611518 1133909216 /nfs/dbraw/zinc/90/92/16/1133909216.db2.gz OKILIIBZUGWYCC-UHFFFAOYSA-N 1 2 341.274 3.540 20 0 EHADLO Cc1cc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)ns1 ZINC000774770475 1133968830 /nfs/dbraw/zinc/96/88/30/1133968830.db2.gz SUHYATDQUMPVBS-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ns1 ZINC000774770475 1133968838 /nfs/dbraw/zinc/96/88/38/1133968838.db2.gz SUHYATDQUMPVBS-QGZVFWFLSA-N 1 2 330.453 3.549 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000746665207 1133981485 /nfs/dbraw/zinc/98/14/85/1133981485.db2.gz AEHAFJMGFYXSHW-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000746665207 1133981494 /nfs/dbraw/zinc/98/14/94/1133981494.db2.gz AEHAFJMGFYXSHW-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=S)N[C@@H](C)c2ccccc2)c1C ZINC000746685470 1134007737 /nfs/dbraw/zinc/00/77/37/1134007737.db2.gz QLGGAMQWVFOILY-HNNXBMFYSA-N 1 2 343.496 3.775 20 0 EHADLO Cc1ccc(F)c(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001185231305 1134053663 /nfs/dbraw/zinc/05/36/63/1134053663.db2.gz LILVFKLRUXLIEH-UHFFFAOYSA-N 1 2 329.375 3.604 20 0 EHADLO Cc1cc(Cl)nc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000788105268 1134075111 /nfs/dbraw/zinc/07/51/11/1134075111.db2.gz DBIDBCLHUDPSCU-KRWDZBQOSA-N 1 2 344.842 3.751 20 0 EHADLO Cc1cc(Cl)nc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000788105268 1134075119 /nfs/dbraw/zinc/07/51/19/1134075119.db2.gz DBIDBCLHUDPSCU-KRWDZBQOSA-N 1 2 344.842 3.751 20 0 EHADLO CC(C)(C)c1cc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000788073236 1134077331 /nfs/dbraw/zinc/07/73/31/1134077331.db2.gz LPRXPDPFPWJNRP-KRWDZBQOSA-N 1 2 342.439 3.680 20 0 EHADLO CC(C)(C)c1cc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000788073236 1134077336 /nfs/dbraw/zinc/07/73/36/1134077336.db2.gz LPRXPDPFPWJNRP-KRWDZBQOSA-N 1 2 342.439 3.680 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC=CCC1 ZINC000788242856 1134099365 /nfs/dbraw/zinc/09/93/65/1134099365.db2.gz LKFZTHPWUOBKCK-HOTGVXAUSA-N 1 2 327.472 3.787 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC=CCC1 ZINC000788242856 1134099371 /nfs/dbraw/zinc/09/93/71/1134099371.db2.gz LKFZTHPWUOBKCK-HOTGVXAUSA-N 1 2 327.472 3.787 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283126 1134108591 /nfs/dbraw/zinc/10/85/91/1134108591.db2.gz WGQOLGWQSZBCBE-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283126 1134108593 /nfs/dbraw/zinc/10/85/93/1134108593.db2.gz WGQOLGWQSZBCBE-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000788283126 1134108594 /nfs/dbraw/zinc/10/85/94/1134108594.db2.gz WGQOLGWQSZBCBE-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000788283126 1134108598 /nfs/dbraw/zinc/10/85/98/1134108598.db2.gz WGQOLGWQSZBCBE-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO CC1(C)CC[N@H+](Cn2ncc(Br)c2C2CC2)CCS1 ZINC000788376588 1134118805 /nfs/dbraw/zinc/11/88/05/1134118805.db2.gz OHLYKACZASWSKL-UHFFFAOYSA-N 1 2 344.322 3.698 20 0 EHADLO CC1(C)CC[N@@H+](Cn2ncc(Br)c2C2CC2)CCS1 ZINC000788376588 1134118806 /nfs/dbraw/zinc/11/88/06/1134118806.db2.gz OHLYKACZASWSKL-UHFFFAOYSA-N 1 2 344.322 3.698 20 0 EHADLO COC(=O)CCN(Cc1ccccc1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001185811574 1134140732 /nfs/dbraw/zinc/14/07/32/1134140732.db2.gz YOOMEXXHNBWUFY-UHFFFAOYSA-N 1 2 339.439 3.622 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000774944210 1134140798 /nfs/dbraw/zinc/14/07/98/1134140798.db2.gz PGCAHDJXXDLVBT-GFCCVEGCSA-N 1 2 333.432 3.544 20 0 EHADLO CCc1cc(NC[C@@H](C)c2nc(-c3ccccc3)no2)nc(CC)[nH+]1 ZINC001185979739 1134157662 /nfs/dbraw/zinc/15/76/62/1134157662.db2.gz RWDPDXJVASXYGH-CYBMUJFWSA-N 1 2 337.427 3.867 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1c(F)cc(F)cc1F ZINC001186003419 1134158372 /nfs/dbraw/zinc/15/83/72/1134158372.db2.gz CSLSJZKENMHUBG-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788833974 1134179433 /nfs/dbraw/zinc/17/94/33/1134179433.db2.gz GDEYCLRDHCSWFJ-GPZRYRNASA-N 1 2 342.826 3.818 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855489 1134188364 /nfs/dbraw/zinc/18/83/64/1134188364.db2.gz QGKNMUWPPKPPKP-JUNHHFQASA-N 1 2 338.854 3.916 20 0 EHADLO C/C=C(\CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855489 1134188368 /nfs/dbraw/zinc/18/83/68/1134188368.db2.gz QGKNMUWPPKPPKP-JUNHHFQASA-N 1 2 338.854 3.916 20 0 EHADLO CSc1ccccc1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001186739239 1134249636 /nfs/dbraw/zinc/24/96/36/1134249636.db2.gz RUXGAYGQKLGNQM-OAHLLOKOSA-N 1 2 343.452 3.879 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000789770913 1134331460 /nfs/dbraw/zinc/33/14/60/1134331460.db2.gz FBYBMODDZWWJHN-UHFFFAOYSA-N 1 2 330.771 3.733 20 0 EHADLO CN(CCCNc1ncnc2sc3c(c21)CCC3)c1cccc[nH+]1 ZINC001187437270 1134334987 /nfs/dbraw/zinc/33/49/87/1134334987.db2.gz DXZCBTCRRHDSBZ-UHFFFAOYSA-N 1 2 339.468 3.513 20 0 EHADLO CC(=O)c1cc(F)cc(F)c1OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790261285 1134392131 /nfs/dbraw/zinc/39/21/31/1134392131.db2.gz WYMXNORQHBJIEY-UHFFFAOYSA-N 1 2 328.318 3.932 20 0 EHADLO C[N@H+](CCSCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000790266678 1134392215 /nfs/dbraw/zinc/39/22/15/1134392215.db2.gz ITHNDWYDVIQLFW-UHFFFAOYSA-N 1 2 339.464 3.701 20 0 EHADLO C[N@@H+](CCSCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000790266678 1134392223 /nfs/dbraw/zinc/39/22/23/1134392223.db2.gz ITHNDWYDVIQLFW-UHFFFAOYSA-N 1 2 339.464 3.701 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000790775024 1134463560 /nfs/dbraw/zinc/46/35/60/1134463560.db2.gz VQDZLMAAWZRLLK-LPHOPBHVSA-N 1 2 325.456 3.805 20 0 EHADLO CC(C)Cc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000790775023 1134463711 /nfs/dbraw/zinc/46/37/11/1134463711.db2.gz VQDZLMAAWZRLLK-APWZRJJASA-N 1 2 325.456 3.805 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001188753490 1134498906 /nfs/dbraw/zinc/49/89/06/1134498906.db2.gz OMYPKYNXVUZNKF-UHFFFAOYSA-N 1 2 332.835 3.967 20 0 EHADLO Cc1cccc(OCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791264494 1134523747 /nfs/dbraw/zinc/52/37/47/1134523747.db2.gz XAZMDGMBOLUKAJ-UHFFFAOYSA-N 1 2 336.391 3.611 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](F)Cc1ccccc1 ZINC000791440136 1134550600 /nfs/dbraw/zinc/55/06/00/1134550600.db2.gz BNXIOTHWKGOBGG-LJQANCHMSA-N 1 2 338.382 3.805 20 0 EHADLO CCCCCc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001189205175 1134552223 /nfs/dbraw/zinc/55/22/23/1134552223.db2.gz PONGSNGKRUVYHZ-LJQANCHMSA-N 1 2 337.467 3.823 20 0 EHADLO Nc1cc(COC(=O)C2(c3cccc(Cl)c3)CCCC2)cc[nH+]1 ZINC000791720091 1134595241 /nfs/dbraw/zinc/59/52/41/1134595241.db2.gz WARINAOJWMUKHI-UHFFFAOYSA-N 1 2 330.815 3.872 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492810 1134668094 /nfs/dbraw/zinc/66/80/94/1134668094.db2.gz OQZDQLKCXDVSAL-SMDDNHRTSA-N 1 2 329.412 3.775 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC001205492810 1134668097 /nfs/dbraw/zinc/66/80/97/1134668097.db2.gz OQZDQLKCXDVSAL-SMDDNHRTSA-N 1 2 329.412 3.775 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000775357645 1134668131 /nfs/dbraw/zinc/66/81/31/1134668131.db2.gz AMWPPSYDPDIHJM-UHFFFAOYSA-N 1 2 341.798 3.846 20 0 EHADLO CCC[C@@H](C)S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001190237300 1134677148 /nfs/dbraw/zinc/67/71/48/1134677148.db2.gz FTIGIWXZVPQSDD-CQSZACIVSA-N 1 2 348.468 3.784 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cccc(COC)c1)c1ccccc1 ZINC000747070237 1134685729 /nfs/dbraw/zinc/68/57/29/1134685729.db2.gz PTSNKFGJWRKRGM-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc(COC)c1)c1ccccc1 ZINC000747070237 1134685731 /nfs/dbraw/zinc/68/57/31/1134685731.db2.gz PTSNKFGJWRKRGM-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)Cc3ccccc3F)C2=O)c1 ZINC001190406228 1134692809 /nfs/dbraw/zinc/69/28/09/1134692809.db2.gz DLKXNXPWHYDWFB-SFHVURJKSA-N 1 2 344.405 3.901 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)Cc3ccccc3F)C2=O)c1 ZINC001190406228 1134692812 /nfs/dbraw/zinc/69/28/12/1134692812.db2.gz DLKXNXPWHYDWFB-SFHVURJKSA-N 1 2 344.405 3.901 20 0 EHADLO CCC(C)(C)c1ccc(S(=O)(=O)Nc2c[nH+]ccc2N(C)C)cc1 ZINC001190423622 1134698589 /nfs/dbraw/zinc/69/85/89/1134698589.db2.gz LPGRIROXNQRYKM-UHFFFAOYSA-N 1 2 347.484 3.636 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@H+](CC)Cc1ccc(OC)cc1OC ZINC001190597659 1134725075 /nfs/dbraw/zinc/72/50/75/1134725075.db2.gz QIVANWOLZAEBHD-KRWDZBQOSA-N 1 2 337.460 3.504 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001190597659 1134725078 /nfs/dbraw/zinc/72/50/78/1134725078.db2.gz QIVANWOLZAEBHD-KRWDZBQOSA-N 1 2 337.460 3.504 20 0 EHADLO CCC[N@H+](CC[S@@](=O)C(F)(F)F)Cc1c(F)cccc1Cl ZINC001190627134 1134728716 /nfs/dbraw/zinc/72/87/16/1134728716.db2.gz FGEAFBKYMJQROK-OAQYLSRUSA-N 1 2 345.789 3.960 20 0 EHADLO CCC[N@@H+](CC[S@@](=O)C(F)(F)F)Cc1c(F)cccc1Cl ZINC001190627134 1134728719 /nfs/dbraw/zinc/72/87/19/1134728719.db2.gz FGEAFBKYMJQROK-OAQYLSRUSA-N 1 2 345.789 3.960 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cs1 ZINC001190770850 1134749293 /nfs/dbraw/zinc/74/92/93/1134749293.db2.gz VDEAQCMFDRXSFC-UHFFFAOYSA-N 1 2 342.508 3.724 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cc(F)ccc1C ZINC001190846172 1134759200 /nfs/dbraw/zinc/75/92/00/1134759200.db2.gz JCFLGGQMSWKMGG-UHFFFAOYSA-N 1 2 329.415 3.742 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1C ZINC001190846172 1134759205 /nfs/dbraw/zinc/75/92/05/1134759205.db2.gz JCFLGGQMSWKMGG-UHFFFAOYSA-N 1 2 329.415 3.742 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](Cc1nnn(C(C)(C)C)n1)CC1CCC1 ZINC001191121275 1134796646 /nfs/dbraw/zinc/79/66/46/1134796646.db2.gz JJPHNPWHIZMAPX-HNNXBMFYSA-N 1 2 327.476 3.791 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](Cc1nnn(C(C)(C)C)n1)CC1CCC1 ZINC001191121275 1134796651 /nfs/dbraw/zinc/79/66/51/1134796651.db2.gz JJPHNPWHIZMAPX-HNNXBMFYSA-N 1 2 327.476 3.791 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205020 1134816123 /nfs/dbraw/zinc/81/61/23/1134816123.db2.gz XRDYZEXDJMGTNY-YPMHNXCESA-N 1 2 333.295 3.541 20 0 EHADLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2sncc2Br)C1(C)C ZINC001191205020 1134816127 /nfs/dbraw/zinc/81/61/27/1134816127.db2.gz XRDYZEXDJMGTNY-YPMHNXCESA-N 1 2 333.295 3.541 20 0 EHADLO C/C(=C\C(=O)OCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000793239413 1134886031 /nfs/dbraw/zinc/88/60/31/1134886031.db2.gz BAUIAFSSOABBHM-XYOKQWHBSA-N 1 2 338.329 3.628 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000793239107 1134886180 /nfs/dbraw/zinc/88/61/80/1134886180.db2.gz TUYHBDLMNXIYCQ-FQEVSTJZSA-N 1 2 348.446 3.922 20 0 EHADLO Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C)c[nH+]1 ZINC000747111802 1134900922 /nfs/dbraw/zinc/90/09/22/1134900922.db2.gz LAXMCDXNRFWMPS-UHFFFAOYSA-N 1 2 326.343 3.985 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2c[nH+]c3ccc(C)cn23)c1 ZINC001191712831 1134903537 /nfs/dbraw/zinc/90/35/37/1134903537.db2.gz IWCGYGOIWJSLHL-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO C[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(F)(F)F ZINC000793391187 1134923122 /nfs/dbraw/zinc/92/31/22/1134923122.db2.gz NDKRRNNEMVYAJS-NSHDSACASA-N 1 2 338.329 3.990 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC001191898220 1134940749 /nfs/dbraw/zinc/94/07/49/1134940749.db2.gz AADMKAQNULNCFW-UHFFFAOYSA-N 1 2 338.436 3.991 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC001191898220 1134940756 /nfs/dbraw/zinc/94/07/56/1134940756.db2.gz AADMKAQNULNCFW-UHFFFAOYSA-N 1 2 338.436 3.991 20 0 EHADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCc1cccc(F)c1 ZINC001191977001 1134954678 /nfs/dbraw/zinc/95/46/78/1134954678.db2.gz LFISFUQRRMOOBA-LJQANCHMSA-N 1 2 327.399 3.531 20 0 EHADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCc1cccc(F)c1 ZINC001191977001 1134954684 /nfs/dbraw/zinc/95/46/84/1134954684.db2.gz LFISFUQRRMOOBA-LJQANCHMSA-N 1 2 327.399 3.531 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC001192058466 1134963003 /nfs/dbraw/zinc/96/30/03/1134963003.db2.gz MPCAVEPOQJQASF-QGZVFWFLSA-N 1 2 346.434 3.800 20 0 EHADLO CCc1ccc2ccccc2c1C[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234943 1134989140 /nfs/dbraw/zinc/98/91/40/1134989140.db2.gz XDSCNYZXOSFAEX-FQEVSTJZSA-N 1 2 343.467 3.801 20 0 EHADLO CCc1ccc2ccccc2c1C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234943 1134989145 /nfs/dbraw/zinc/98/91/45/1134989145.db2.gz XDSCNYZXOSFAEX-FQEVSTJZSA-N 1 2 343.467 3.801 20 0 EHADLO CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC000793778631 1134993358 /nfs/dbraw/zinc/99/33/58/1134993358.db2.gz DOBZMJQNZLEFAC-QGZVFWFLSA-N 1 2 344.434 3.745 20 0 EHADLO CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC000793778631 1134993366 /nfs/dbraw/zinc/99/33/66/1134993366.db2.gz DOBZMJQNZLEFAC-QGZVFWFLSA-N 1 2 344.434 3.745 20 0 EHADLO Fc1ccc(N2CC[NH+](CCCOC(F)(F)F)CC2)c(Cl)c1 ZINC001192313973 1134998425 /nfs/dbraw/zinc/99/84/25/1134998425.db2.gz GXNPZCQGQHLYNM-UHFFFAOYSA-N 1 2 340.748 3.528 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C)cc1)C2 ZINC001192379534 1135009125 /nfs/dbraw/zinc/00/91/25/1135009125.db2.gz GGTFCDSASBLEPJ-UHFFFAOYSA-N 1 2 338.451 3.781 20 0 EHADLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C)cc1)C2 ZINC001192379534 1135009129 /nfs/dbraw/zinc/00/91/29/1135009129.db2.gz GGTFCDSASBLEPJ-UHFFFAOYSA-N 1 2 338.451 3.781 20 0 EHADLO COc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)nc1Cl ZINC000794206499 1135027641 /nfs/dbraw/zinc/02/76/41/1135027641.db2.gz OKANJXWDJCIVNX-UHFFFAOYSA-N 1 2 342.786 3.694 20 0 EHADLO c1coc(C[N@H+](Cc2cccnc2)C[C@@H]2COC3(CCCCC3)O2)c1 ZINC001192526489 1135031331 /nfs/dbraw/zinc/03/13/31/1135031331.db2.gz ZOWKLGQTVBDSIU-LJQANCHMSA-N 1 2 342.439 3.753 20 0 EHADLO c1coc(C[N@@H+](Cc2cccnc2)C[C@@H]2COC3(CCCCC3)O2)c1 ZINC001192526489 1135031334 /nfs/dbraw/zinc/03/13/34/1135031334.db2.gz ZOWKLGQTVBDSIU-LJQANCHMSA-N 1 2 342.439 3.753 20 0 EHADLO Cc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc(Cl)n1 ZINC000794213199 1135033788 /nfs/dbraw/zinc/03/37/88/1135033788.db2.gz LPLOPHYCIBWVSH-UHFFFAOYSA-N 1 2 326.787 3.994 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977438 1135086343 /nfs/dbraw/zinc/08/63/43/1135086343.db2.gz XPQDBSLKMIIULB-ABAIWWIYSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977438 1135086349 /nfs/dbraw/zinc/08/63/49/1135086349.db2.gz XPQDBSLKMIIULB-ABAIWWIYSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000775568987 1135095183 /nfs/dbraw/zinc/09/51/83/1135095183.db2.gz JZWHQMZMPMPZTB-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000775568987 1135095189 /nfs/dbraw/zinc/09/51/89/1135095189.db2.gz JZWHQMZMPMPZTB-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2Sc2ccccc2)c1 ZINC001129648874 1135131051 /nfs/dbraw/zinc/13/10/51/1135131051.db2.gz BRVOBWYCBVWTLC-UHFFFAOYSA-N 1 2 337.448 3.544 20 0 EHADLO CC(C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001193513896 1135149067 /nfs/dbraw/zinc/14/90/67/1135149067.db2.gz IGDUOFPVLFRCBS-UHFFFAOYSA-N 1 2 328.815 3.578 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(Cl)c1)OC1CCCC1 ZINC001193583744 1135154990 /nfs/dbraw/zinc/15/49/90/1135154990.db2.gz QAVXKTMLOBDIFU-UHFFFAOYSA-N 1 2 333.819 3.754 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(O)cc1C(F)(F)F ZINC001193733623 1135174044 /nfs/dbraw/zinc/17/40/44/1135174044.db2.gz KSQXIGOWXUXHSE-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO CCCOC(=O)NCc1c[nH+]cn1Cc1ccccc1C(F)(F)F ZINC001194148181 1135234248 /nfs/dbraw/zinc/23/42/48/1135234248.db2.gz TWRACPONHWPBDQ-UHFFFAOYSA-N 1 2 341.333 3.586 20 0 EHADLO CCCCCCOC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194202873 1135242715 /nfs/dbraw/zinc/24/27/15/1135242715.db2.gz AUWCCLGDKKCMAL-HKUYNNGSSA-N 1 2 348.487 3.582 20 0 EHADLO CCCCCCOC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194202873 1135242720 /nfs/dbraw/zinc/24/27/20/1135242720.db2.gz AUWCCLGDKKCMAL-HKUYNNGSSA-N 1 2 348.487 3.582 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)Oc1ccc2ccccc2c1 ZINC001194671102 1135303690 /nfs/dbraw/zinc/30/36/90/1135303690.db2.gz RCQFLUIDMMMIBN-UHFFFAOYSA-N 1 2 347.418 3.992 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805792827 1135328402 /nfs/dbraw/zinc/32/84/02/1135328402.db2.gz HOLZKVUUEAXDIT-CABCVRRESA-N 1 2 333.863 3.751 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805792827 1135328410 /nfs/dbraw/zinc/32/84/10/1135328410.db2.gz HOLZKVUUEAXDIT-CABCVRRESA-N 1 2 333.863 3.751 20 0 EHADLO Clc1cccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1 ZINC001203801449 1135332205 /nfs/dbraw/zinc/33/22/05/1135332205.db2.gz BLMNQKZBGQVEGK-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO Clc1cccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1 ZINC001203801449 1135332210 /nfs/dbraw/zinc/33/22/10/1135332210.db2.gz BLMNQKZBGQVEGK-CQSZACIVSA-N 1 2 340.652 3.746 20 0 EHADLO CC(C)CCOC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001194901144 1135337054 /nfs/dbraw/zinc/33/70/54/1135337054.db2.gz RZPHKOLQDMDEBU-UHFFFAOYSA-N 1 2 335.835 3.857 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c2n[nH]cc21 ZINC001194910385 1135338819 /nfs/dbraw/zinc/33/88/19/1135338819.db2.gz VPGRGSYPMCLYGZ-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CC[C@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1ccccc1OC ZINC001194917341 1135340344 /nfs/dbraw/zinc/34/03/44/1135340344.db2.gz LGAOFVYTKKNBLY-SFHVURJKSA-N 1 2 349.434 3.977 20 0 EHADLO CC[C@@H]1C[C@@H]([N@@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494470 1135362997 /nfs/dbraw/zinc/36/29/97/1135362997.db2.gz VYQNAXCCWSZXJK-MUJYYYPQSA-N 1 2 338.492 3.608 20 0 EHADLO CC[C@@H]1C[C@@H]([N@H+]2CCCC(=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494470 1135363003 /nfs/dbraw/zinc/36/30/03/1135363003.db2.gz VYQNAXCCWSZXJK-MUJYYYPQSA-N 1 2 338.492 3.608 20 0 EHADLO CC[C@@H]1CC([N@@H+]2CCCC(=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170494469 1135363079 /nfs/dbraw/zinc/36/30/79/1135363079.db2.gz VYQNAXCCWSZXJK-HUUCEWRRSA-N 1 2 338.492 3.608 20 0 EHADLO CC[C@@H]1CC([N@H+]2CCCC(=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170494469 1135363084 /nfs/dbraw/zinc/36/30/84/1135363084.db2.gz VYQNAXCCWSZXJK-HUUCEWRRSA-N 1 2 338.492 3.608 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC001195375706 1135420609 /nfs/dbraw/zinc/42/06/09/1135420609.db2.gz BNWHOSNJVDUFDU-KRWDZBQOSA-N 1 2 341.455 3.868 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC001195375706 1135420614 /nfs/dbraw/zinc/42/06/14/1135420614.db2.gz BNWHOSNJVDUFDU-KRWDZBQOSA-N 1 2 341.455 3.868 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775651717 1135423016 /nfs/dbraw/zinc/42/30/16/1135423016.db2.gz ZKGMIRXRCSSGPC-OAHLLOKOSA-N 1 2 345.842 3.565 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775651717 1135423020 /nfs/dbraw/zinc/42/30/20/1135423020.db2.gz ZKGMIRXRCSSGPC-OAHLLOKOSA-N 1 2 345.842 3.565 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1C[C@@]1(C)Br ZINC001205706268 1135430405 /nfs/dbraw/zinc/43/04/05/1135430405.db2.gz CJSDABQMIVQXGQ-XJKSGUPXSA-N 1 2 334.261 3.682 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1C[C@@]1(C)Br ZINC001205706268 1135430407 /nfs/dbraw/zinc/43/04/07/1135430407.db2.gz CJSDABQMIVQXGQ-XJKSGUPXSA-N 1 2 334.261 3.682 20 0 EHADLO Cc1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)c(N(C)C)[nH+]1 ZINC000806362090 1135435370 /nfs/dbraw/zinc/43/53/70/1135435370.db2.gz RMGJSHVMYWTEPJ-UHFFFAOYSA-N 1 2 330.819 3.657 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000806550115 1135452766 /nfs/dbraw/zinc/45/27/66/1135452766.db2.gz BXUNAXYGEOINIG-UHFFFAOYSA-N 1 2 348.397 3.592 20 0 EHADLO Cc1c[nH]c(CCNC(=O)c2cc(C)ccc2-c2ccc(C)cc2)[nH+]1 ZINC001195698318 1135457371 /nfs/dbraw/zinc/45/73/71/1135457371.db2.gz PPPGKTJUQPNDQR-UHFFFAOYSA-N 1 2 333.435 3.974 20 0 EHADLO CC[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](CC)CO1 ZINC001195860399 1135476410 /nfs/dbraw/zinc/47/64/10/1135476410.db2.gz BPQWXZLEIQNQDY-HEHGZKQESA-N 1 2 332.271 3.916 20 0 EHADLO CC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](CC)CO1 ZINC001195860399 1135476414 /nfs/dbraw/zinc/47/64/14/1135476414.db2.gz BPQWXZLEIQNQDY-HEHGZKQESA-N 1 2 332.271 3.916 20 0 EHADLO CCN(C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1)C1C[NH+](C)C1 ZINC001195895562 1135482052 /nfs/dbraw/zinc/48/20/52/1135482052.db2.gz CAXXBCRWJXOSJH-UHFFFAOYSA-N 1 2 333.435 3.611 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679982 1135504507 /nfs/dbraw/zinc/50/45/07/1135504507.db2.gz YBGXJMDLXVVBFS-MJBXVCDLSA-N 1 2 336.863 3.523 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775679982 1135504511 /nfs/dbraw/zinc/50/45/11/1135504511.db2.gz YBGXJMDLXVVBFS-MJBXVCDLSA-N 1 2 336.863 3.523 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001130793073 1135508797 /nfs/dbraw/zinc/50/87/97/1135508797.db2.gz QHGARZQJFFIGJG-VQTJNVASSA-N 1 2 331.419 3.526 20 0 EHADLO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(Cl)c2O)c1 ZINC000775712035 1135550949 /nfs/dbraw/zinc/55/09/49/1135550949.db2.gz MLVXKHTXOKWEPP-UHFFFAOYSA-N 1 2 346.858 3.558 20 0 EHADLO COc1ccc2cc(/C=C\C(=O)NC[C@@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000747400784 1135552266 /nfs/dbraw/zinc/55/22/66/1135552266.db2.gz NUSBQYBFGXVLOG-LWAXHKBTSA-N 1 2 349.434 3.511 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(CC(C)(C)C)n2)C1 ZINC000867188691 1135588311 /nfs/dbraw/zinc/58/83/11/1135588311.db2.gz ZYSBWUWFEODXMS-MRXNPFEDSA-N 1 2 329.444 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CC(C)(C)C)n2)C1 ZINC000867188691 1135588315 /nfs/dbraw/zinc/58/83/15/1135588315.db2.gz ZYSBWUWFEODXMS-MRXNPFEDSA-N 1 2 329.444 3.540 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1CCN(c2ccccc2)C1=O ZINC000808135727 1135621844 /nfs/dbraw/zinc/62/18/44/1135621844.db2.gz QXKKUGHJUQLXFH-UHFFFAOYSA-N 1 2 329.831 3.672 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1CCN(c2ccccc2)C1=O ZINC000808135727 1135621845 /nfs/dbraw/zinc/62/18/45/1135621845.db2.gz QXKKUGHJUQLXFH-UHFFFAOYSA-N 1 2 329.831 3.672 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000808138045 1135622656 /nfs/dbraw/zinc/62/26/56/1135622656.db2.gz HDRMOQHNAOBTAU-UHFFFAOYSA-N 1 2 340.389 3.886 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000808138045 1135622657 /nfs/dbraw/zinc/62/26/57/1135622657.db2.gz HDRMOQHNAOBTAU-UHFFFAOYSA-N 1 2 340.389 3.886 20 0 EHADLO Fc1ccc(NC(=S)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001196942284 1135632177 /nfs/dbraw/zinc/63/21/77/1135632177.db2.gz YHUVXAOUNWUCKK-UHFFFAOYSA-N 1 2 326.400 3.879 20 0 EHADLO O=C(CCn1cccc1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000794429215 1135634485 /nfs/dbraw/zinc/63/44/85/1135634485.db2.gz YNVWDQCPAXZXER-UHFFFAOYSA-N 1 2 335.407 3.684 20 0 EHADLO CC(C)COC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001197075920 1135647388 /nfs/dbraw/zinc/64/73/88/1135647388.db2.gz AIVMLYRIJUBPPO-GOSISDBHSA-N 1 2 325.399 3.561 20 0 EHADLO CC(C)COC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001197075920 1135647389 /nfs/dbraw/zinc/64/73/89/1135647389.db2.gz AIVMLYRIJUBPPO-GOSISDBHSA-N 1 2 325.399 3.561 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccnc1F ZINC000808815345 1135743802 /nfs/dbraw/zinc/74/38/02/1135743802.db2.gz QXGQPJOOYIGVBQ-UHFFFAOYSA-N 1 2 337.354 3.640 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@@H+]2CCCc2cccc(C)c2)o1 ZINC001197989239 1135764179 /nfs/dbraw/zinc/76/41/79/1135764179.db2.gz LDFNXIOVYRRUOS-IBGZPJMESA-N 1 2 329.440 3.741 20 0 EHADLO COCc1ccc([C@@H]2COCC[N@H+]2CCCc2cccc(C)c2)o1 ZINC001197989239 1135764182 /nfs/dbraw/zinc/76/41/82/1135764182.db2.gz LDFNXIOVYRRUOS-IBGZPJMESA-N 1 2 329.440 3.741 20 0 EHADLO CCN(CCOc1ccccc1OC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001131737896 1135846376 /nfs/dbraw/zinc/84/63/76/1135846376.db2.gz KFHWEYVOSHNPQJ-UHFFFAOYSA-N 1 2 342.439 3.557 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810024376 1135911255 /nfs/dbraw/zinc/91/12/55/1135911255.db2.gz HFHXYNOWALKCJH-PKOBYXMFSA-N 1 2 344.499 3.812 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810024376 1135911257 /nfs/dbraw/zinc/91/12/57/1135911257.db2.gz HFHXYNOWALKCJH-PKOBYXMFSA-N 1 2 344.499 3.812 20 0 EHADLO O=C(C1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1)C(F)(F)F ZINC000776009133 1135919137 /nfs/dbraw/zinc/91/91/37/1135919137.db2.gz QPIZXHIKAOGTQJ-UPHRSURJSA-N 1 2 333.300 3.821 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810128901 1135924608 /nfs/dbraw/zinc/92/46/08/1135924608.db2.gz BDJLACBNXSXNII-KGLIPLIRSA-N 1 2 342.443 3.561 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129465 1135925268 /nfs/dbraw/zinc/92/52/68/1135925268.db2.gz FWCJLJDWNCHGTL-GJZGRUSLSA-N 1 2 327.428 3.912 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001273845345 1135954824 /nfs/dbraw/zinc/95/48/24/1135954824.db2.gz FPQNKOMRVMDYBI-KGLIPLIRSA-N 1 2 331.847 3.968 20 0 EHADLO CC(C)(C)SCCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810656906 1135986291 /nfs/dbraw/zinc/98/62/91/1135986291.db2.gz XJMKUEANLCJNIA-UHFFFAOYSA-N 1 2 346.496 3.939 20 0 EHADLO CC[C@H]1CCC[C@@H](CNc2ccc(N3CCC(CO)CC3)c[nH+]2)C1 ZINC001201180322 1135992820 /nfs/dbraw/zinc/99/28/20/1135992820.db2.gz SMIUQOFLCFYURG-FUHWJXTLSA-N 1 2 331.504 3.919 20 0 EHADLO Cc1ccc(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(C)[nH+]1 ZINC001201231274 1135997479 /nfs/dbraw/zinc/99/74/79/1135997479.db2.gz GYWTZEGLBKCTQQ-UHFFFAOYSA-N 1 2 333.457 3.519 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810695750 1135997671 /nfs/dbraw/zinc/99/76/71/1135997671.db2.gz HTKBQIWSCGNYME-YLJYHZDGSA-N 1 2 326.440 3.699 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(N)[nH+]c3)cc21 ZINC001201284199 1136001249 /nfs/dbraw/zinc/00/12/49/1136001249.db2.gz NEBCBDPWSAKTNY-UHFFFAOYSA-N 1 2 326.400 3.705 20 0 EHADLO CC(=O)c1ccc(OCc2ccccc2)c(Nc2ccc(N)[nH+]c2)c1O ZINC001201295876 1136003774 /nfs/dbraw/zinc/00/37/74/1136003774.db2.gz VMBMDNPVPPSGOL-UHFFFAOYSA-N 1 2 349.390 3.895 20 0 EHADLO O=C(NC1CC1)c1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC001201338934 1136010311 /nfs/dbraw/zinc/01/03/11/1136010311.db2.gz SPLQXEBJRHMXGA-UHFFFAOYSA-N 1 2 335.451 3.791 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@H]1C[C@@H](c2ccccc2)C1 ZINC000810881221 1136016492 /nfs/dbraw/zinc/01/64/92/1136016492.db2.gz JTPMSNSTIYXBQE-TYKWCNGQSA-N 1 2 346.430 3.963 20 0 EHADLO CCN(CC)c1ccc(NCc2ccc(O[C@@H]3CCOC3)cc2)c[nH+]1 ZINC001201572874 1136042283 /nfs/dbraw/zinc/04/22/83/1136042283.db2.gz FDWMAGDWKPIOFU-LJQANCHMSA-N 1 2 341.455 3.708 20 0 EHADLO FC(F)n1cc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001201728996 1136056519 /nfs/dbraw/zinc/05/65/19/1136056519.db2.gz WIHHMCRNQMSXQT-UHFFFAOYSA-N 1 2 339.143 3.754 20 0 EHADLO CCOC(=O)c1nc2c(o1)CC[N@H+](CC[C@H](C)CCC=C(C)C)C2 ZINC001201983388 1136076634 /nfs/dbraw/zinc/07/66/34/1136076634.db2.gz ZZVGOKVCPKXXNA-OAHLLOKOSA-N 1 2 334.460 3.982 20 0 EHADLO CCOC(=O)c1nc2c(o1)CC[N@@H+](CC[C@H](C)CCC=C(C)C)C2 ZINC001201983388 1136076638 /nfs/dbraw/zinc/07/66/38/1136076638.db2.gz ZZVGOKVCPKXXNA-OAHLLOKOSA-N 1 2 334.460 3.982 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC001201955699 1136078240 /nfs/dbraw/zinc/07/82/40/1136078240.db2.gz XNNLIPQIKJHCQA-HNNXBMFYSA-N 1 2 327.403 3.736 20 0 EHADLO FC(F)(F)CN1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001202005906 1136080715 /nfs/dbraw/zinc/08/07/15/1136080715.db2.gz JKDYTJTZZLZKLR-UHFFFAOYSA-N 1 2 335.373 3.850 20 0 EHADLO C/C(=C\C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(F)cc1 ZINC001132815756 1136088030 /nfs/dbraw/zinc/08/80/30/1136088030.db2.gz SOPIKJBUPXXYTL-MQMQVCBVSA-N 1 2 349.409 3.983 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)s1 ZINC000811467153 1136090642 /nfs/dbraw/zinc/09/06/42/1136090642.db2.gz GPBXUFPXJBGIKR-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)s1 ZINC000811467153 1136090645 /nfs/dbraw/zinc/09/06/45/1136090645.db2.gz GPBXUFPXJBGIKR-DOTOQJQBSA-N 1 2 349.521 3.795 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811465404 1136090825 /nfs/dbraw/zinc/09/08/25/1136090825.db2.gz VYDDSAHGNOQKIK-NSHDSACASA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811465404 1136090828 /nfs/dbraw/zinc/09/08/28/1136090828.db2.gz VYDDSAHGNOQKIK-NSHDSACASA-N 1 2 331.243 3.552 20 0 EHADLO COc1cc(C)ccc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC001202234145 1136117973 /nfs/dbraw/zinc/11/79/73/1136117973.db2.gz RJRDWKAHRZWHOJ-HZPDHXFCSA-N 1 2 341.455 3.624 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNc1cc[nH+]cc1F ZINC000776267046 1136121111 /nfs/dbraw/zinc/12/11/11/1136121111.db2.gz YXGSDRODORGRRA-UHFFFAOYSA-N 1 2 344.821 3.770 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000811742641 1136128190 /nfs/dbraw/zinc/12/81/90/1136128190.db2.gz IZUNALJJEQACKR-CYBMUJFWSA-N 1 2 327.325 3.796 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000811742641 1136128192 /nfs/dbraw/zinc/12/81/92/1136128192.db2.gz IZUNALJJEQACKR-CYBMUJFWSA-N 1 2 327.325 3.796 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1ccccc1Oc1ccccc1 ZINC000811701314 1136128226 /nfs/dbraw/zinc/12/82/26/1136128226.db2.gz MCXCZLADUWDWCK-UHFFFAOYSA-N 1 2 338.436 3.699 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751898 1136136126 /nfs/dbraw/zinc/13/61/26/1136136126.db2.gz IRISOZZOSGDYAI-CRAIPNDOSA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751898 1136136128 /nfs/dbraw/zinc/13/61/28/1136136128.db2.gz IRISOZZOSGDYAI-CRAIPNDOSA-N 1 2 325.456 3.605 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1ccc(C(F)(F)F)cc1 ZINC001202422571 1136139439 /nfs/dbraw/zinc/13/94/39/1136139439.db2.gz MNZZDYMCPPQHPK-UHFFFAOYSA-N 1 2 338.333 3.949 20 0 EHADLO Clc1nn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ccccc12 ZINC000811790316 1136140646 /nfs/dbraw/zinc/14/06/46/1136140646.db2.gz AVPCXRSZZDNBCM-CVEARBPZSA-N 1 2 331.847 3.681 20 0 EHADLO Clc1nn(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ccccc12 ZINC000811790316 1136140648 /nfs/dbraw/zinc/14/06/48/1136140648.db2.gz AVPCXRSZZDNBCM-CVEARBPZSA-N 1 2 331.847 3.681 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936553 1136156403 /nfs/dbraw/zinc/15/64/03/1136156403.db2.gz BSJWNNKUINNEOA-OCCSQVGLSA-N 1 2 325.522 3.838 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936553 1136156406 /nfs/dbraw/zinc/15/64/06/1136156406.db2.gz BSJWNNKUINNEOA-OCCSQVGLSA-N 1 2 325.522 3.838 20 0 EHADLO CCC(CC)n1nc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C ZINC000776339194 1136158432 /nfs/dbraw/zinc/15/84/32/1136158432.db2.gz REUHYYOOWQWQEE-UHFFFAOYSA-N 1 2 329.448 3.574 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000107238287 1136163404 /nfs/dbraw/zinc/16/34/04/1136163404.db2.gz FZBQJZOEWQTEOZ-UHFFFAOYSA-N 1 2 343.424 3.737 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1occc1CSc1ccccc1 ZINC000747780144 1136189822 /nfs/dbraw/zinc/18/98/22/1136189822.db2.gz BYQPCYJXYAEHIS-UHFFFAOYSA-N 1 2 328.393 3.662 20 0 EHADLO C[N@H+](CN1Cc2ccc(F)cc2C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298489 1136196678 /nfs/dbraw/zinc/19/66/78/1136196678.db2.gz OJGZVLMQLJMKRS-CABCVRRESA-N 1 2 344.352 3.792 20 0 EHADLO C[N@@H+](CN1Cc2ccc(F)cc2C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298489 1136196680 /nfs/dbraw/zinc/19/66/80/1136196680.db2.gz OJGZVLMQLJMKRS-CABCVRRESA-N 1 2 344.352 3.792 20 0 EHADLO Cc1[nH]c(CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)[nH+]c1C ZINC000850275237 1136230076 /nfs/dbraw/zinc/23/00/76/1136230076.db2.gz ITTRQRPRTRNJAG-LBPRGKRZSA-N 1 2 326.227 3.947 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)[nH]c1C ZINC000850275237 1136230079 /nfs/dbraw/zinc/23/00/79/1136230079.db2.gz ITTRQRPRTRNJAG-LBPRGKRZSA-N 1 2 326.227 3.947 20 0 EHADLO CC(C)N(C)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000109229236 1136231733 /nfs/dbraw/zinc/23/17/33/1136231733.db2.gz BRNMKGDJFIJHOB-UHFFFAOYSA-N 1 2 334.423 3.969 20 0 EHADLO O=C(CC1CCCC1)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001133449519 1136247786 /nfs/dbraw/zinc/24/77/86/1136247786.db2.gz OMZFMBHFEOFOKK-UHFFFAOYSA-N 1 2 337.467 3.785 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)CCCO2 ZINC000850443892 1136259950 /nfs/dbraw/zinc/25/99/50/1136259950.db2.gz OTFIFKHXOUMCSI-SJKOYZFVSA-N 1 2 333.378 3.674 20 0 EHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000850571882 1136289047 /nfs/dbraw/zinc/28/90/47/1136289047.db2.gz DJEWKAXDQXDGSP-GFCCVEGCSA-N 1 2 326.387 3.975 20 0 EHADLO C[C@H](O)[C@H]([NH2+][C@@H](C)c1nc(Br)cs1)c1ccccc1 ZINC000850583204 1136293182 /nfs/dbraw/zinc/29/31/82/1136293182.db2.gz JKNWRJFQVMZCAL-KWBADKCTSA-N 1 2 341.274 3.678 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000813319492 1136315121 /nfs/dbraw/zinc/31/51/21/1136315121.db2.gz IWZVCUUDLHAFMO-UHFFFAOYSA-N 1 2 339.395 3.708 20 0 EHADLO CC(C)c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000851812186 1136410410 /nfs/dbraw/zinc/41/04/10/1136410410.db2.gz GXQDJFVIOUUDKC-RBUKOAKNSA-N 1 2 329.440 3.728 20 0 EHADLO CC(C)c1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000851812186 1136410412 /nfs/dbraw/zinc/41/04/12/1136410412.db2.gz GXQDJFVIOUUDKC-RBUKOAKNSA-N 1 2 329.440 3.728 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000851865730 1136414978 /nfs/dbraw/zinc/41/49/78/1136414978.db2.gz XMWOEYRTZYKGPY-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CCc1oc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1C(=O)OC ZINC000338941430 1136422204 /nfs/dbraw/zinc/42/22/04/1136422204.db2.gz HOOMAVRJYNJWQB-CQSZACIVSA-N 1 2 335.787 3.505 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C2CCC2)C1 ZINC000852016717 1136427759 /nfs/dbraw/zinc/42/77/59/1136427759.db2.gz JOKMEIJKQBOXRW-GOSISDBHSA-N 1 2 338.455 3.594 20 0 EHADLO c1nc2c(ncnc2Nc2ccc([NH+]3CCCCC3)cc2)n1C1CC1 ZINC000814255153 1136431137 /nfs/dbraw/zinc/43/11/37/1136431137.db2.gz YPFUZNDKQZCWQA-UHFFFAOYSA-N 1 2 334.427 3.895 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3cccnc3Cl)CC2)c1F ZINC000852109854 1136434293 /nfs/dbraw/zinc/43/42/93/1136434293.db2.gz GPFLMDHTZFQRSK-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3cccnc3Cl)CC2)c1F ZINC000852109854 1136434296 /nfs/dbraw/zinc/43/42/96/1136434296.db2.gz GPFLMDHTZFQRSK-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1SC(F)F ZINC000852217892 1136441163 /nfs/dbraw/zinc/44/11/63/1136441163.db2.gz BELMFXUWIJJXHV-AAEUAGOBSA-N 1 2 326.412 3.814 20 0 EHADLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1SC(F)F ZINC000852217892 1136441166 /nfs/dbraw/zinc/44/11/66/1136441166.db2.gz BELMFXUWIJJXHV-AAEUAGOBSA-N 1 2 326.412 3.814 20 0 EHADLO OCCCCCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852475775 1136459262 /nfs/dbraw/zinc/45/92/62/1136459262.db2.gz IKPKMEBWWTVUCX-CYBMUJFWSA-N 1 2 331.382 3.575 20 0 EHADLO OCCCCCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852475775 1136459265 /nfs/dbraw/zinc/45/92/65/1136459265.db2.gz IKPKMEBWWTVUCX-CYBMUJFWSA-N 1 2 331.382 3.575 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852545831 1136465059 /nfs/dbraw/zinc/46/50/59/1136465059.db2.gz QFCCWTYIUDNGFU-HOTGVXAUSA-N 1 2 349.858 3.588 20 0 EHADLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852545831 1136465060 /nfs/dbraw/zinc/46/50/60/1136465060.db2.gz QFCCWTYIUDNGFU-HOTGVXAUSA-N 1 2 349.858 3.588 20 0 EHADLO OC[C@H]([NH2+]Cc1cnc(Cl)s1)c1cccc(Cl)c1Cl ZINC000852677143 1136476843 /nfs/dbraw/zinc/47/68/43/1136476843.db2.gz GQRTWKSXTLZIJM-JTQLQIEISA-N 1 2 337.659 3.927 20 0 EHADLO OC[C@@H]([NH2+]Cc1cnc(Cl)s1)c1cccc(Cl)c1Cl ZINC000852677144 1136476911 /nfs/dbraw/zinc/47/69/11/1136476911.db2.gz GQRTWKSXTLZIJM-SNVBAGLBSA-N 1 2 337.659 3.927 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc2c(c1)CCCO2 ZINC000852782007 1136486520 /nfs/dbraw/zinc/48/65/20/1136486520.db2.gz XQZIKRYOLLCVCQ-SECBINFHSA-N 1 2 343.374 3.733 20 0 EHADLO Cc1nn(C/C=C/c2ccc(Cl)cc2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852963040 1136494417 /nfs/dbraw/zinc/49/44/17/1136494417.db2.gz NQOZGFVACGMXPU-SHCNBLLESA-N 1 2 345.874 3.870 20 0 EHADLO Cc1nn(C/C=C/c2ccc(Cl)cc2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852963040 1136494420 /nfs/dbraw/zinc/49/44/20/1136494420.db2.gz NQOZGFVACGMXPU-SHCNBLLESA-N 1 2 345.874 3.870 20 0 EHADLO O=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(c2ccco2)CC1 ZINC000853527055 1136541776 /nfs/dbraw/zinc/54/17/76/1136541776.db2.gz IMAJVEDJLWHMMX-UHFFFAOYSA-N 1 2 332.787 3.678 20 0 EHADLO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cn2cccnc2=S)CO1 ZINC000853531054 1136541786 /nfs/dbraw/zinc/54/17/86/1136541786.db2.gz WARSAOHTBVDBPC-MRXNPFEDSA-N 1 2 329.469 3.640 20 0 EHADLO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cn2cccnc2=S)CO1 ZINC000853531054 1136541787 /nfs/dbraw/zinc/54/17/87/1136541787.db2.gz WARSAOHTBVDBPC-MRXNPFEDSA-N 1 2 329.469 3.640 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561360 1136543785 /nfs/dbraw/zinc/54/37/85/1136543785.db2.gz AGKZVRAFJVSAPX-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO Cc1ccc(C)c(-n2ccn(C[N@H+](C)CC3=CCCOC3)c2=S)c1 ZINC000853561360 1136543790 /nfs/dbraw/zinc/54/37/90/1136543790.db2.gz AGKZVRAFJVSAPX-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)[C@@H]3CCCCC[C@H]32)cc1F ZINC000853563094 1136544844 /nfs/dbraw/zinc/54/48/44/1136544844.db2.gz KPYMAVBBMUBOER-BPQIPLTHSA-N 1 2 346.446 3.720 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)[C@@H]3CCCCC[C@H]32)cc1F ZINC000853563094 1136544847 /nfs/dbraw/zinc/54/48/47/1136544847.db2.gz KPYMAVBBMUBOER-BPQIPLTHSA-N 1 2 346.446 3.720 20 0 EHADLO C[N@H+](C[C@H]1CCc2ccccc21)Cn1nc(-c2ccccc2)ccc1=O ZINC000853611301 1136549863 /nfs/dbraw/zinc/54/98/63/1136549863.db2.gz XTXKILGFMQETFH-LJQANCHMSA-N 1 2 345.446 3.530 20 0 EHADLO C[N@@H+](C[C@H]1CCc2ccccc21)Cn1nc(-c2ccccc2)ccc1=O ZINC000853611301 1136549865 /nfs/dbraw/zinc/54/98/65/1136549865.db2.gz XTXKILGFMQETFH-LJQANCHMSA-N 1 2 345.446 3.530 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cnn(C)c2Cl)c2ccccc2)cc1 ZINC000815113709 1136550739 /nfs/dbraw/zinc/55/07/39/1136550739.db2.gz HTFHEVLJXIKRLQ-GOSISDBHSA-N 1 2 341.842 3.961 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634673 1136551867 /nfs/dbraw/zinc/55/18/67/1136551867.db2.gz XRLLGHKYDARYIA-ZFWWWQNUSA-N 1 2 330.457 3.880 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634673 1136551872 /nfs/dbraw/zinc/55/18/72/1136551872.db2.gz XRLLGHKYDARYIA-ZFWWWQNUSA-N 1 2 330.457 3.880 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCc2ccc[nH+]c2N)cc1 ZINC000853693087 1136555968 /nfs/dbraw/zinc/55/59/68/1136555968.db2.gz IUBVNSKTUDCCOG-ZDUSSCGKSA-N 1 2 343.427 3.829 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C)oc1ccccc12 ZINC000815164363 1136559455 /nfs/dbraw/zinc/55/94/55/1136559455.db2.gz WJNWSLKCEDSMCD-STQMWFEESA-N 1 2 338.407 3.873 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C)oc1ccccc12 ZINC000815164363 1136559457 /nfs/dbraw/zinc/55/94/57/1136559457.db2.gz WJNWSLKCEDSMCD-STQMWFEESA-N 1 2 338.407 3.873 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@H]1c1ccc(F)cc1 ZINC000853814119 1136566519 /nfs/dbraw/zinc/56/65/19/1136566519.db2.gz KQOOFZDIBXRWPS-HNNXBMFYSA-N 1 2 325.391 3.672 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(COC)cc1)c1ccccc1 ZINC000815211767 1136570935 /nfs/dbraw/zinc/57/09/35/1136570935.db2.gz OYEBWKAQBZXJNA-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(COC)cc1)c1ccccc1 ZINC000815211767 1136570938 /nfs/dbraw/zinc/57/09/38/1136570938.db2.gz OYEBWKAQBZXJNA-LJQANCHMSA-N 1 2 327.424 3.569 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000854042563 1136582939 /nfs/dbraw/zinc/58/29/39/1136582939.db2.gz PGVVTCDQEIKMMV-VQTJNVASSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000854042563 1136582941 /nfs/dbraw/zinc/58/29/41/1136582941.db2.gz PGVVTCDQEIKMMV-VQTJNVASSA-N 1 2 349.478 3.656 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000854394492 1136612983 /nfs/dbraw/zinc/61/29/83/1136612983.db2.gz PBTMOLQISGFKQM-CVEARBPZSA-N 1 2 331.847 3.838 20 0 EHADLO CC1(CO)C[NH+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC001138019208 1136647071 /nfs/dbraw/zinc/64/70/71/1136647071.db2.gz CGDYTCDSIHPCLT-UHFFFAOYSA-N 1 2 327.268 3.538 20 0 EHADLO O=C(NCc1ccccc1Cl)c1c[nH+]ccc1Nc1ccccc1 ZINC001135427688 1136682737 /nfs/dbraw/zinc/68/27/37/1136682737.db2.gz CDLYWYGHTISLOC-UHFFFAOYSA-N 1 2 337.810 3.831 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)nc1C1CC1 ZINC000113246303 1136688218 /nfs/dbraw/zinc/68/82/18/1136688218.db2.gz VMJLJEJEFLOJLN-LJQANCHMSA-N 1 2 342.512 3.840 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)nc1C1CC1 ZINC000113246303 1136688220 /nfs/dbraw/zinc/68/82/20/1136688220.db2.gz VMJLJEJEFLOJLN-LJQANCHMSA-N 1 2 342.512 3.840 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000338973797 1136698335 /nfs/dbraw/zinc/69/83/35/1136698335.db2.gz SKAOFRCUTNJHJE-UHFFFAOYSA-N 1 2 347.296 3.865 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)[nH+]c12 ZINC000855555005 1136706421 /nfs/dbraw/zinc/70/64/21/1136706421.db2.gz OKEYTWJSKMKPOV-IBGZPJMESA-N 1 2 349.434 3.584 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000113487843 1136713825 /nfs/dbraw/zinc/71/38/25/1136713825.db2.gz CDWHFENPMARIPT-INIZCTEOSA-N 1 2 342.439 3.680 20 0 EHADLO CC(C)(C)c1cnc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000113487843 1136713827 /nfs/dbraw/zinc/71/38/27/1136713827.db2.gz CDWHFENPMARIPT-INIZCTEOSA-N 1 2 342.439 3.680 20 0 EHADLO Cc1cccc2c(CCC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c[nH]c21 ZINC000265984556 1136722161 /nfs/dbraw/zinc/72/21/61/1136722161.db2.gz ZXSBGQDXGLWHIH-INIZCTEOSA-N 1 2 336.439 3.538 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000816480519 1136722710 /nfs/dbraw/zinc/72/27/10/1136722710.db2.gz OPUZSCGOIOOWDQ-IBGZPJMESA-N 1 2 335.407 3.973 20 0 EHADLO COc1ccc(C[N@@H+](Cc2cnn(C)c2Cl)CC2CC2)c(OC)c1 ZINC000816600307 1136739934 /nfs/dbraw/zinc/73/99/34/1136739934.db2.gz SJMYMTFXXJLZRX-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO COc1ccc(C[N@H+](Cc2cnn(C)c2Cl)CC2CC2)c(OC)c1 ZINC000816600307 1136739936 /nfs/dbraw/zinc/73/99/36/1136739936.db2.gz SJMYMTFXXJLZRX-UHFFFAOYSA-N 1 2 349.862 3.503 20 0 EHADLO c1ccc(-n2nnc3c2CC[N@@H+](Cc2ccccc2C2CC2)C3)cc1 ZINC000816619269 1136742220 /nfs/dbraw/zinc/74/22/20/1136742220.db2.gz ZKMOBYDYVLCBNW-UHFFFAOYSA-N 1 2 330.435 3.703 20 0 EHADLO c1ccc(-n2nnc3c2CC[N@H+](Cc2ccccc2C2CC2)C3)cc1 ZINC000816619269 1136742223 /nfs/dbraw/zinc/74/22/23/1136742223.db2.gz ZKMOBYDYVLCBNW-UHFFFAOYSA-N 1 2 330.435 3.703 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816920789 1136763557 /nfs/dbraw/zinc/76/35/57/1136763557.db2.gz BLRUTNIQFNFWLT-GFCCVEGCSA-N 1 2 340.452 3.570 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114445471 1136798291 /nfs/dbraw/zinc/79/82/91/1136798291.db2.gz YOOGKEYMJBPWJA-NRFANRHFSA-N 1 2 335.451 3.690 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114445471 1136798294 /nfs/dbraw/zinc/79/82/94/1136798294.db2.gz YOOGKEYMJBPWJA-NRFANRHFSA-N 1 2 335.451 3.690 20 0 EHADLO Cc1cc(CNC(=O)c2cc(C)c(OC(F)F)c(C)c2)cc(C)[nH+]1 ZINC000817459161 1136808524 /nfs/dbraw/zinc/80/85/24/1136808524.db2.gz QSNJSAULWIATEL-UHFFFAOYSA-N 1 2 334.366 3.847 20 0 EHADLO Cn1cc(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)c(Cl)n1 ZINC000856781605 1136811105 /nfs/dbraw/zinc/81/11/05/1136811105.db2.gz UVJSTLACMCBHIG-NSHDSACASA-N 1 2 346.645 3.994 20 0 EHADLO CC1(C)CC[C@H](CO)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000856802619 1136812771 /nfs/dbraw/zinc/81/27/71/1136812771.db2.gz TWIQEGPKLPPHNC-MRXNPFEDSA-N 1 2 346.496 3.705 20 0 EHADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000856802619 1136812774 /nfs/dbraw/zinc/81/27/74/1136812774.db2.gz TWIQEGPKLPPHNC-MRXNPFEDSA-N 1 2 346.496 3.705 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000173354309 1136826857 /nfs/dbraw/zinc/82/68/57/1136826857.db2.gz WVRIZFDRPJPMCW-UHFFFAOYSA-N 1 2 339.439 3.705 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000857026357 1136834057 /nfs/dbraw/zinc/83/40/57/1136834057.db2.gz RTKROVCQESYJIF-INIZCTEOSA-N 1 2 347.894 3.936 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC000857026357 1136834059 /nfs/dbraw/zinc/83/40/59/1136834059.db2.gz RTKROVCQESYJIF-INIZCTEOSA-N 1 2 347.894 3.936 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000339003668 1136865098 /nfs/dbraw/zinc/86/50/98/1136865098.db2.gz MAJFTTIPODMSHZ-HNNXBMFYSA-N 1 2 344.405 3.792 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429542525 1136869242 /nfs/dbraw/zinc/86/92/42/1136869242.db2.gz SESUVSFBUTWTQA-UHFFFAOYSA-N 1 2 342.468 3.876 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)F)ccc1F ZINC000857709381 1136901832 /nfs/dbraw/zinc/90/18/32/1136901832.db2.gz UBAQBCPTXSZMLV-CQSZACIVSA-N 1 2 339.361 3.805 20 0 EHADLO O=C(NCc1ccc(F)cc1F)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136179186 1136903027 /nfs/dbraw/zinc/90/30/27/1136903027.db2.gz ZGUHOTQYZTXVNW-AKAXFMLLSA-N 1 2 345.393 3.647 20 0 EHADLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Oc1cc(Br)ccc1OC ZINC000857738705 1136903774 /nfs/dbraw/zinc/90/37/74/1136903774.db2.gz JYMRPIFTHHNOBZ-JTQLQIEISA-N 1 2 344.249 3.530 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776970621 1136907840 /nfs/dbraw/zinc/90/78/40/1136907840.db2.gz OIBHFYZLIKGKHQ-XLIONFOSSA-N 1 2 349.434 3.540 20 0 EHADLO CC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857983358 1136927476 /nfs/dbraw/zinc/92/74/76/1136927476.db2.gz QESSCLAZDGBLEU-KGLIPLIRSA-N 1 2 337.345 3.657 20 0 EHADLO c1sc(C2CC2)nc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016409 1136931832 /nfs/dbraw/zinc/93/18/32/1136931832.db2.gz LEGFMTPIRAKKNH-QGZVFWFLSA-N 1 2 341.480 3.946 20 0 EHADLO c1sc(C2CC2)nc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016409 1136931836 /nfs/dbraw/zinc/93/18/36/1136931836.db2.gz LEGFMTPIRAKKNH-QGZVFWFLSA-N 1 2 341.480 3.946 20 0 EHADLO COc1cc(OC)cc([C@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001170928916 1136948724 /nfs/dbraw/zinc/94/87/24/1136948724.db2.gz AVLQGLDTZPDHHG-AWEZNQCLSA-N 1 2 338.411 3.517 20 0 EHADLO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000858222319 1136950661 /nfs/dbraw/zinc/95/06/61/1136950661.db2.gz SOVWSVVWDMKPPL-UKRRQHHQSA-N 1 2 338.329 3.576 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858383513 1136963241 /nfs/dbraw/zinc/96/32/41/1136963241.db2.gz YZZJFJABIVZQSA-AWEZNQCLSA-N 1 2 327.428 3.586 20 0 EHADLO COC(=O)CC1CCC([NH2+]c2ccc(N3CCSCC3)cc2)CC1 ZINC000858399515 1136964407 /nfs/dbraw/zinc/96/44/07/1136964407.db2.gz HHYOORRMIBRYTK-UHFFFAOYSA-N 1 2 348.512 3.774 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)n1 ZINC000858443792 1136968086 /nfs/dbraw/zinc/96/80/86/1136968086.db2.gz GTLMDKKZMFAFCC-AWEZNQCLSA-N 1 2 344.406 3.511 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000858728082 1136989235 /nfs/dbraw/zinc/98/92/35/1136989235.db2.gz UYNZYGXBPWVFTG-FUHWJXTLSA-N 1 2 327.472 3.601 20 0 EHADLO CSc1ccc(/C=C\C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000858727289 1136989300 /nfs/dbraw/zinc/98/93/00/1136989300.db2.gz HYQHOLYKTSCWCE-VSKVDJIOSA-N 1 2 349.525 3.911 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@]3(C)Br)c2)[nH+]c1C ZINC000858741088 1136989917 /nfs/dbraw/zinc/98/99/17/1136989917.db2.gz XNQMRWXPJQRHAM-CJNGLKHVSA-N 1 2 348.244 3.806 20 0 EHADLO Clc1ccccc1C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccoc1 ZINC000820806648 1137004987 /nfs/dbraw/zinc/00/49/87/1137004987.db2.gz NEVMDCZPITYWNC-INIZCTEOSA-N 1 2 342.830 3.544 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(F)c(O)c3)c2)[nH+]c1C ZINC001136399595 1137013023 /nfs/dbraw/zinc/01/30/23/1137013023.db2.gz FUXBJBRCIKMHBI-UHFFFAOYSA-N 1 2 325.343 3.791 20 0 EHADLO CC(C)(C)c1ccc([C@@H](NC(=O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC001136401889 1137013447 /nfs/dbraw/zinc/01/34/47/1137013447.db2.gz GTGLQMJGDNCPOT-MRXNPFEDSA-N 1 2 342.405 3.800 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000859529875 1137018474 /nfs/dbraw/zinc/01/84/74/1137018474.db2.gz BQFJMZBUTLQVPQ-CYBMUJFWSA-N 1 2 339.480 3.880 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000859529875 1137018475 /nfs/dbraw/zinc/01/84/75/1137018475.db2.gz BQFJMZBUTLQVPQ-CYBMUJFWSA-N 1 2 339.480 3.880 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1nsc2ccccc12 ZINC000859532704 1137018517 /nfs/dbraw/zinc/01/85/17/1137018517.db2.gz HFBRCGLEAZEWJJ-UHFFFAOYSA-N 1 2 335.473 3.643 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nsc2ccccc12 ZINC000859532704 1137018519 /nfs/dbraw/zinc/01/85/19/1137018519.db2.gz HFBRCGLEAZEWJJ-UHFFFAOYSA-N 1 2 335.473 3.643 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613695 1137022873 /nfs/dbraw/zinc/02/28/73/1137022873.db2.gz OHJVVZOLTWYJLA-JQWIXIFHSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613695 1137022875 /nfs/dbraw/zinc/02/28/75/1137022875.db2.gz OHJVVZOLTWYJLA-JQWIXIFHSA-N 1 2 330.881 3.596 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@@H](C)C(F)(F)F ZINC000860325752 1137055724 /nfs/dbraw/zinc/05/57/24/1137055724.db2.gz ZJMNOCXYZCIUAK-GFCCVEGCSA-N 1 2 326.318 3.812 20 0 EHADLO CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c(F)c1 ZINC001136624917 1137072830 /nfs/dbraw/zinc/07/28/30/1137072830.db2.gz PQGVLIMZSFMFEB-UHFFFAOYSA-N 1 2 337.354 3.775 20 0 EHADLO CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC(F)(F)C1 ZINC000823160358 1137089511 /nfs/dbraw/zinc/08/95/11/1137089511.db2.gz DSQXAXWRFJKAKJ-UHFFFAOYSA-N 1 2 339.773 3.577 20 0 EHADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000823424858 1137101088 /nfs/dbraw/zinc/10/10/88/1137101088.db2.gz ZPVCCLLVSQGDIK-AWEZNQCLSA-N 1 2 343.421 3.775 20 0 EHADLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC001136729248 1137102465 /nfs/dbraw/zinc/10/24/65/1137102465.db2.gz VZXIVZLAZVFNQG-GNFOQCCLSA-N 1 2 326.484 3.670 20 0 EHADLO CC1(C)CCc2cccc(NC(=O)NCCCCn3cc[nH+]c3)c2O1 ZINC000861565387 1137111481 /nfs/dbraw/zinc/11/14/81/1137111481.db2.gz WVXRPBRVLJFJHB-UHFFFAOYSA-N 1 2 342.443 3.589 20 0 EHADLO CC[C@@](C)(NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001136810565 1137122315 /nfs/dbraw/zinc/12/23/15/1137122315.db2.gz GFTRTZCMZOFSCY-OAQYLSRUSA-N 1 2 333.435 3.856 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001136813035 1137122753 /nfs/dbraw/zinc/12/27/53/1137122753.db2.gz TTZNNCNZWQKNSN-GOSISDBHSA-N 1 2 325.456 3.700 20 0 EHADLO O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136834708 1137126534 /nfs/dbraw/zinc/12/65/34/1137126534.db2.gz ZHUQKZKOWOKEIN-DYESRHJHSA-N 1 2 343.430 3.608 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c(Br)n1 ZINC000862212789 1137132431 /nfs/dbraw/zinc/13/24/31/1137132431.db2.gz LQOQTLPPEQSXKE-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccs2)c(Br)n1 ZINC000862212789 1137132432 /nfs/dbraw/zinc/13/24/32/1137132432.db2.gz LQOQTLPPEQSXKE-NSHDSACASA-N 1 2 326.263 3.581 20 0 EHADLO CC(C)CNC(=O)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000862215121 1137132455 /nfs/dbraw/zinc/13/24/55/1137132455.db2.gz DFUUFCIOESGXQH-UHFFFAOYSA-N 1 2 344.833 3.602 20 0 EHADLO Fc1cc(F)c2c(c1)[C@@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCC2 ZINC000824468776 1137140539 /nfs/dbraw/zinc/14/05/39/1137140539.db2.gz NZRQJSYDJUPZLZ-IBGZPJMESA-N 1 2 340.377 3.713 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136924716 1137147220 /nfs/dbraw/zinc/14/72/20/1137147220.db2.gz QDNCMWQPMCWASU-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136924716 1137147221 /nfs/dbraw/zinc/14/72/21/1137147221.db2.gz QDNCMWQPMCWASU-QGZVFWFLSA-N 1 2 339.867 3.614 20 0 EHADLO c1ccc(C[N@H+]2CCC23CN(Cc2nc4ccccc4s2)C3)cc1 ZINC001136954992 1137154941 /nfs/dbraw/zinc/15/49/41/1137154941.db2.gz NJXMMHWRMHYDRG-UHFFFAOYSA-N 1 2 335.476 3.757 20 0 EHADLO c1ccc(C[N@@H+]2CCC23CN(Cc2nc4ccccc4s2)C3)cc1 ZINC001136954992 1137154942 /nfs/dbraw/zinc/15/49/42/1137154942.db2.gz NJXMMHWRMHYDRG-UHFFFAOYSA-N 1 2 335.476 3.757 20 0 EHADLO CCc1ncc(C[NH2+]Cc2cc3cnn(C(C)C)c3nc2Cl)o1 ZINC000825078990 1137164518 /nfs/dbraw/zinc/16/45/18/1137164518.db2.gz IPEABIUWZMKGKW-UHFFFAOYSA-N 1 2 333.823 3.506 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136997589 1137168618 /nfs/dbraw/zinc/16/86/18/1137168618.db2.gz FYLHPQARYTZSAD-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136997589 1137168619 /nfs/dbraw/zinc/16/86/19/1137168619.db2.gz FYLHPQARYTZSAD-SWLSCSKDSA-N 1 2 339.867 3.613 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(F)c(F)c(F)c1F)n1cc[nH+]c1 ZINC000825369097 1137175102 /nfs/dbraw/zinc/17/51/02/1137175102.db2.gz RQYUJZNKECTCML-NSHDSACASA-N 1 2 329.297 3.665 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1C(F)(F)F ZINC001143644841 1137185989 /nfs/dbraw/zinc/18/59/89/1137185989.db2.gz KWIUTIXFKNNDFU-OAHLLOKOSA-N 1 2 337.345 3.841 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1C(F)(F)F ZINC001143644841 1137185991 /nfs/dbraw/zinc/18/59/91/1137185991.db2.gz KWIUTIXFKNNDFU-OAHLLOKOSA-N 1 2 337.345 3.841 20 0 EHADLO Cc1cnc(C[NH+]2CCC(C(F)(F)F)CC2)cc1Br ZINC001143649763 1137186458 /nfs/dbraw/zinc/18/64/58/1137186458.db2.gz DQJYEARFRWXVCO-UHFFFAOYSA-N 1 2 337.183 3.927 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCc3cc(CO)ccc3C2)cc1Cl ZINC001143734075 1137193071 /nfs/dbraw/zinc/19/30/71/1137193071.db2.gz AHLMBZLZISZGNI-UHFFFAOYSA-N 1 2 349.833 3.928 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCc3cc(CO)ccc3C2)cc1Cl ZINC001143734075 1137193072 /nfs/dbraw/zinc/19/30/72/1137193072.db2.gz AHLMBZLZISZGNI-UHFFFAOYSA-N 1 2 349.833 3.928 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001143744968 1137195318 /nfs/dbraw/zinc/19/53/18/1137195318.db2.gz FVFCCCIDKOAEDD-TXEJJXNPSA-N 1 2 349.780 3.591 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001143744968 1137195319 /nfs/dbraw/zinc/19/53/19/1137195319.db2.gz FVFCCCIDKOAEDD-TXEJJXNPSA-N 1 2 349.780 3.591 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143764386 1137196701 /nfs/dbraw/zinc/19/67/01/1137196701.db2.gz QAJZOBUGPCBDEE-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143764386 1137196702 /nfs/dbraw/zinc/19/67/02/1137196702.db2.gz QAJZOBUGPCBDEE-UHFFFAOYSA-N 1 2 333.378 3.849 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001143757770 1137197812 /nfs/dbraw/zinc/19/78/12/1137197812.db2.gz MOTHNUHBEQPKED-AWEZNQCLSA-N 1 2 327.371 3.799 20 0 EHADLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001143757770 1137197814 /nfs/dbraw/zinc/19/78/14/1137197814.db2.gz MOTHNUHBEQPKED-AWEZNQCLSA-N 1 2 327.371 3.799 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC3(CCCO3)CC2)c1Br ZINC001143820076 1137201581 /nfs/dbraw/zinc/20/15/81/1137201581.db2.gz VRUZQKQPDHNDIA-UHFFFAOYSA-N 1 2 346.215 3.872 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1F ZINC001143832567 1137203884 /nfs/dbraw/zinc/20/38/84/1137203884.db2.gz AGQZREKMBLELFI-KRWDZBQOSA-N 1 2 341.810 3.549 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c1F ZINC001143832567 1137203886 /nfs/dbraw/zinc/20/38/86/1137203886.db2.gz AGQZREKMBLELFI-KRWDZBQOSA-N 1 2 341.810 3.549 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1F ZINC001143905132 1137211856 /nfs/dbraw/zinc/21/18/56/1137211856.db2.gz URZLYDHURLIXQD-NXEZZACHSA-N 1 2 327.268 3.553 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(F)c1F ZINC001143905132 1137211857 /nfs/dbraw/zinc/21/18/57/1137211857.db2.gz URZLYDHURLIXQD-NXEZZACHSA-N 1 2 327.268 3.553 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)ccc(F)c2F)[C@@H]1C ZINC001143959059 1137219002 /nfs/dbraw/zinc/21/90/02/1137219002.db2.gz ZODJYEPCZSABIM-MNOVXSKESA-N 1 2 331.790 3.782 20 0 EHADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)[C@@H]1C ZINC001143959059 1137219003 /nfs/dbraw/zinc/21/90/03/1137219003.db2.gz ZODJYEPCZSABIM-MNOVXSKESA-N 1 2 331.790 3.782 20 0 EHADLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000844422405 1137219890 /nfs/dbraw/zinc/21/98/90/1137219890.db2.gz OUFPEHOSAHDJGP-VXGBXAGGSA-N 1 2 341.333 3.610 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CCCCC[C@@H]3C)c2=S)cc1 ZINC000794633122 1137221964 /nfs/dbraw/zinc/22/19/64/1137221964.db2.gz MBFZWUPFJHCKIU-AWEZNQCLSA-N 1 2 346.500 3.942 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CCCCC[C@@H]3C)c2=S)cc1 ZINC000794633122 1137221966 /nfs/dbraw/zinc/22/19/66/1137221966.db2.gz MBFZWUPFJHCKIU-AWEZNQCLSA-N 1 2 346.500 3.942 20 0 EHADLO CC[N@H+](Cn1nc(C)n(-c2ccc(OC)cc2)c1=S)C1CCC1 ZINC000794629947 1137221996 /nfs/dbraw/zinc/22/19/96/1137221996.db2.gz BVRKOCRBZYWVEV-UHFFFAOYSA-N 1 2 332.473 3.552 20 0 EHADLO CC[N@@H+](Cn1nc(C)n(-c2ccc(OC)cc2)c1=S)C1CCC1 ZINC000794629947 1137221997 /nfs/dbraw/zinc/22/19/97/1137221997.db2.gz BVRKOCRBZYWVEV-UHFFFAOYSA-N 1 2 332.473 3.552 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441030 1137223660 /nfs/dbraw/zinc/22/36/60/1137223660.db2.gz YKHVKTYDEKTRFG-GUYCJALGSA-N 1 2 333.382 3.843 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441030 1137223661 /nfs/dbraw/zinc/22/36/61/1137223661.db2.gz YKHVKTYDEKTRFG-GUYCJALGSA-N 1 2 333.382 3.843 20 0 EHADLO C[C@H](CC(C)(C)C)CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000864498888 1137230151 /nfs/dbraw/zinc/23/01/51/1137230151.db2.gz CYFDVDBAVVGHGB-MRXNPFEDSA-N 1 2 348.512 3.919 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)cn1 ZINC001212613180 1137233101 /nfs/dbraw/zinc/23/31/01/1137233101.db2.gz HCPHQGAHSOTSSQ-UHFFFAOYSA-N 1 2 340.427 3.776 20 0 EHADLO Cc1cccc(N2CCN(Cc3cc(Cl)c(F)cc3F)CC2)[nH+]1 ZINC001144120363 1137240960 /nfs/dbraw/zinc/24/09/60/1137240960.db2.gz KSLSDQAPPRLKCD-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC3(CC3(F)F)CC2)C1 ZINC000844730618 1137250841 /nfs/dbraw/zinc/25/08/41/1137250841.db2.gz YTUBGARORMBLBZ-GFCCVEGCSA-N 1 2 342.455 3.503 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794801457 1137252085 /nfs/dbraw/zinc/25/20/85/1137252085.db2.gz GHEUJHCVVQPIEA-LRDDRELGSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794801457 1137252086 /nfs/dbraw/zinc/25/20/86/1137252086.db2.gz GHEUJHCVVQPIEA-LRDDRELGSA-N 1 2 329.362 3.836 20 0 EHADLO Fc1cc(Br)ccc1[C@@H]([NH2+]Cc1ccon1)C1CC1 ZINC000794800627 1137252108 /nfs/dbraw/zinc/25/21/08/1137252108.db2.gz FHCKGXTZWCZILT-AWEZNQCLSA-N 1 2 325.181 3.817 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cscc2Cl)n1 ZINC000864976284 1137255888 /nfs/dbraw/zinc/25/58/88/1137255888.db2.gz IOFRYSRPZISTHY-UHFFFAOYSA-N 1 2 329.878 3.952 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C(F)F)cc1 ZINC000864987042 1137256664 /nfs/dbraw/zinc/25/66/64/1137256664.db2.gz VZVPFFLHOWUIHP-INIZCTEOSA-N 1 2 349.425 3.984 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnn(CC4CC4)c3)c2)[nH+]c1C ZINC000864993916 1137257032 /nfs/dbraw/zinc/25/70/32/1137257032.db2.gz USTFBJAFKFYSCM-UHFFFAOYSA-N 1 2 335.411 3.552 20 0 EHADLO O=C(/C(=C/c1ccccc1)C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158733 1137265952 /nfs/dbraw/zinc/26/59/52/1137265952.db2.gz MNHJYHGWMCXLSK-CNYBTUBUSA-N 1 2 349.356 3.693 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000845185793 1137278849 /nfs/dbraw/zinc/27/88/49/1137278849.db2.gz FQTKHDJKWBFPAA-ZBFHGGJFSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1Br ZINC000865409876 1137280738 /nfs/dbraw/zinc/28/07/38/1137280738.db2.gz YAIBZXZMZHXEMH-NSHDSACASA-N 1 2 349.228 3.732 20 0 EHADLO COc1cccc(C[NH2+]Cc2c(Cl)cncc2Cl)c1OC ZINC000865418606 1137281789 /nfs/dbraw/zinc/28/17/89/1137281789.db2.gz JBJOLEWFGCJJRI-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO CC[C@H](C)c1ccc(C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845279799 1137283311 /nfs/dbraw/zinc/28/33/11/1137283311.db2.gz OVCACXXLNUSZCR-LSDHHAIUSA-N 1 2 328.412 3.774 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(Br)c1 ZINC000845283829 1137283489 /nfs/dbraw/zinc/28/34/89/1137283489.db2.gz HMZNBGAHRFRZKQ-NWDGAFQWSA-N 1 2 337.217 3.901 20 0 EHADLO CCCn1cc(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)nn1 ZINC000865455021 1137285552 /nfs/dbraw/zinc/28/55/52/1137285552.db2.gz RDGYZXTXIIVNTB-CYBMUJFWSA-N 1 2 328.416 3.602 20 0 EHADLO Brc1ncccc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000865472065 1137287017 /nfs/dbraw/zinc/28/70/17/1137287017.db2.gz YVKOGRODIFMOOA-UHFFFAOYSA-N 1 2 347.256 3.923 20 0 EHADLO COc1cc2c(cc1OC)C[NH+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144418447 1137288368 /nfs/dbraw/zinc/28/83/68/1137288368.db2.gz COIQCYRUPXXEKL-UHFFFAOYSA-N 1 2 343.814 3.749 20 0 EHADLO CNC(=O)c1ccccc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614013 1137290540 /nfs/dbraw/zinc/29/05/40/1137290540.db2.gz BLCXXBAPQNLZGZ-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1ccco1)c1ccccc1 ZINC000845430331 1137291771 /nfs/dbraw/zinc/29/17/71/1137291771.db2.gz MGKWHZXUUUSXTE-UHFFFAOYSA-N 1 2 335.407 3.588 20 0 EHADLO Cc1cnn(C2COC2)c1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614206 1137293660 /nfs/dbraw/zinc/29/36/60/1137293660.db2.gz IABBZXXPVPHULX-UHFFFAOYSA-N 1 2 341.459 3.670 20 0 EHADLO CC(C)(C)c1csc(C[NH2+]Cc2cccnc2N2CCCC2)n1 ZINC000865622685 1137299462 /nfs/dbraw/zinc/29/94/62/1137299462.db2.gz BOTZTVGGNUXNFI-UHFFFAOYSA-N 1 2 330.501 3.726 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+](Cc2cccs2)C2CC2)C1 ZINC000120705831 1137305883 /nfs/dbraw/zinc/30/58/83/1137305883.db2.gz UKGDECUKIJCQOS-MRXNPFEDSA-N 1 2 340.492 3.995 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](Cc2cccs2)C2CC2)C1 ZINC000120705831 1137305885 /nfs/dbraw/zinc/30/58/85/1137305885.db2.gz UKGDECUKIJCQOS-MRXNPFEDSA-N 1 2 340.492 3.995 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)o1 ZINC000865724599 1137306743 /nfs/dbraw/zinc/30/67/43/1137306743.db2.gz ZKEYJTSFGHQOSE-UHFFFAOYSA-N 1 2 325.767 3.716 20 0 EHADLO O=C(OCC[C@@H]1CC1(Cl)Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000845752135 1137308405 /nfs/dbraw/zinc/30/84/05/1137308405.db2.gz KYMZYXPYGNIXGM-CQSZACIVSA-N 1 2 339.222 3.672 20 0 EHADLO Fc1ccc2onc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)c2c1 ZINC000865761163 1137309693 /nfs/dbraw/zinc/30/96/93/1137309693.db2.gz KSCKMVFADOEKNP-HNNXBMFYSA-N 1 2 333.388 3.565 20 0 EHADLO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2c(F)cc(O)cc2F)c1 ZINC001144567562 1137311434 /nfs/dbraw/zinc/31/14/34/1137311434.db2.gz RLYHPGZFWGVZBV-SFHVURJKSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2c(F)cc(O)cc2F)c1 ZINC001144567562 1137311435 /nfs/dbraw/zinc/31/14/35/1137311435.db2.gz RLYHPGZFWGVZBV-SFHVURJKSA-N 1 2 347.361 3.794 20 0 EHADLO c1[nH+]c(CN2CCC(c3nc4ccccc4o3)CC2)c2ccccn12 ZINC001144611578 1137318538 /nfs/dbraw/zinc/31/85/38/1137318538.db2.gz RJKKKGJIRKBMMX-UHFFFAOYSA-N 1 2 332.407 3.855 20 0 EHADLO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(F)c(O)cc1F ZINC001144647003 1137322439 /nfs/dbraw/zinc/32/24/39/1137322439.db2.gz USIUAXIMSUXYCJ-UHFFFAOYSA-N 1 2 346.299 3.759 20 0 EHADLO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(F)c(O)cc1F ZINC001144647003 1137322440 /nfs/dbraw/zinc/32/24/40/1137322440.db2.gz USIUAXIMSUXYCJ-UHFFFAOYSA-N 1 2 346.299 3.759 20 0 EHADLO Cc1ccc(-c2cc[nH+]c(NC3(CO)Cc4ccccc4C3)c2)cc1 ZINC001171203398 1137324354 /nfs/dbraw/zinc/32/43/54/1137324354.db2.gz PAHMGLIIFSWBOE-UHFFFAOYSA-N 1 2 330.431 3.999 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc1F ZINC001144663594 1137324587 /nfs/dbraw/zinc/32/45/87/1137324587.db2.gz HCLYMNHUNJKVBY-UHFFFAOYSA-N 1 2 343.377 3.857 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(OC)c1OC ZINC000866139756 1137331193 /nfs/dbraw/zinc/33/11/93/1137331193.db2.gz CXFXEBYZFRXVAW-HNNXBMFYSA-N 1 2 342.443 3.657 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(OC)c1OC ZINC000866139756 1137331194 /nfs/dbraw/zinc/33/11/94/1137331194.db2.gz CXFXEBYZFRXVAW-HNNXBMFYSA-N 1 2 342.443 3.657 20 0 EHADLO COC(=O)[C@@H](Nc1ccc2[nH+]cn(C)c2c1)c1ccccc1Cl ZINC001171214862 1137337571 /nfs/dbraw/zinc/33/75/71/1137337571.db2.gz SZTXQULGZKBBIQ-INIZCTEOSA-N 1 2 329.787 3.553 20 0 EHADLO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1n[nH]cc1Br ZINC000866270329 1137341278 /nfs/dbraw/zinc/34/12/78/1137341278.db2.gz VBSLCHPKUYODGS-VFZGTOFNSA-N 1 2 338.224 3.725 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1cccc(-n2cccn2)c1 ZINC000866276356 1137341753 /nfs/dbraw/zinc/34/17/53/1137341753.db2.gz OPXJFUAQGTUCTJ-BOUXLOLZSA-N 1 2 337.398 3.995 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1cccc(-n2cccn2)c1 ZINC000866276357 1137341909 /nfs/dbraw/zinc/34/19/09/1137341909.db2.gz OPXJFUAQGTUCTJ-DCPHZVHLSA-N 1 2 337.398 3.995 20 0 EHADLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001144754077 1137342794 /nfs/dbraw/zinc/34/27/94/1137342794.db2.gz CUNHZQHMAOQOQW-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001144754077 1137342796 /nfs/dbraw/zinc/34/27/96/1137342796.db2.gz CUNHZQHMAOQOQW-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO ClC1(Cl)C[C@H]1CCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000846212606 1137343457 /nfs/dbraw/zinc/34/34/57/1137343457.db2.gz FYTRMCZAJNXCAU-CHWSQXEVSA-N 1 2 331.291 3.990 20 0 EHADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc(N2CCCC2)n1 ZINC000866360006 1137349362 /nfs/dbraw/zinc/34/93/62/1137349362.db2.gz BQOFUZOVXFDLQJ-FXAWDEMLSA-N 1 2 341.430 3.552 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000866541588 1137363128 /nfs/dbraw/zinc/36/31/28/1137363128.db2.gz OXECIZKQRVADAQ-VIFPVBQESA-N 1 2 343.301 3.658 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)n1 ZINC000866566142 1137365325 /nfs/dbraw/zinc/36/53/25/1137365325.db2.gz BIOLELYRDCHNCY-NSHDSACASA-N 1 2 329.753 3.927 20 0 EHADLO c1cn(Cc2cccc(-c3cccc(CO[C@@H]4CCOC4)c3)c2)c[nH+]1 ZINC000846781086 1137365341 /nfs/dbraw/zinc/36/53/41/1137365341.db2.gz ZRBCQYIJRZVEAS-OAQYLSRUSA-N 1 2 334.419 3.904 20 0 EHADLO C[C@@H](c1nccc(N)n1)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000846792896 1137365901 /nfs/dbraw/zinc/36/59/01/1137365901.db2.gz LZBAYOLMOALMCF-LBPRGKRZSA-N 1 2 345.516 3.753 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)c1nccs1)c1cccc(Br)c1 ZINC000866597707 1137367913 /nfs/dbraw/zinc/36/79/13/1137367913.db2.gz YAEFHXBVBFOBGR-ZWNOBZJWSA-N 1 2 341.274 3.944 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690964 1137374084 /nfs/dbraw/zinc/37/40/84/1137374084.db2.gz KWSABGZBDBKZNV-UHFFFAOYSA-N 1 2 335.407 3.627 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690964 1137374086 /nfs/dbraw/zinc/37/40/86/1137374086.db2.gz KWSABGZBDBKZNV-UHFFFAOYSA-N 1 2 335.407 3.627 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846902208 1137374779 /nfs/dbraw/zinc/37/47/79/1137374779.db2.gz CVWSAKUPIORCON-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846902208 1137374780 /nfs/dbraw/zinc/37/47/80/1137374780.db2.gz CVWSAKUPIORCON-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000121795611 1137385240 /nfs/dbraw/zinc/38/52/40/1137385240.db2.gz FDSPXKBIHYQPMM-QZTJIDSGSA-N 1 2 345.487 3.623 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000121795611 1137385241 /nfs/dbraw/zinc/38/52/41/1137385241.db2.gz FDSPXKBIHYQPMM-QZTJIDSGSA-N 1 2 345.487 3.623 20 0 EHADLO CN(c1ccc(Nc2cc(F)cc(C(N)=O)c2)c[nH+]1)C1CCCCC1 ZINC001212615147 1137386179 /nfs/dbraw/zinc/38/61/79/1137386179.db2.gz JPKPKUHAZBFBNP-UHFFFAOYSA-N 1 2 342.418 3.832 20 0 EHADLO Cc1nnc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)s1 ZINC000543729116 1137386869 /nfs/dbraw/zinc/38/68/69/1137386869.db2.gz AAWWDWSAPLPLOK-UHFFFAOYSA-N 1 2 342.251 3.719 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2ccc(C(F)F)cc2)C1 ZINC000867844101 1137387952 /nfs/dbraw/zinc/38/79/52/1137387952.db2.gz QWQLUYSHSKZVDT-INIZCTEOSA-N 1 2 347.409 3.697 20 0 EHADLO COCc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000339078014 1137388273 /nfs/dbraw/zinc/38/82/73/1137388273.db2.gz CQWDHSMSCJADJO-UHFFFAOYSA-N 1 2 333.435 3.577 20 0 EHADLO COCc1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000339078014 1137388275 /nfs/dbraw/zinc/38/82/75/1137388275.db2.gz CQWDHSMSCJADJO-UHFFFAOYSA-N 1 2 333.435 3.577 20 0 EHADLO CCSc1nc(C)c([C@@H](CC)C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC001146677806 1137393250 /nfs/dbraw/zinc/39/32/50/1137393250.db2.gz KJSZUSYSQASGBX-CYBMUJFWSA-N 1 2 335.498 3.821 20 0 EHADLO CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001146709905 1137393305 /nfs/dbraw/zinc/39/33/05/1137393305.db2.gz LVOWWNHUNJODJH-JXFKEZNVSA-N 1 2 325.456 3.602 20 0 EHADLO CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001146709905 1137393307 /nfs/dbraw/zinc/39/33/07/1137393307.db2.gz LVOWWNHUNJODJH-JXFKEZNVSA-N 1 2 325.456 3.602 20 0 EHADLO COC(=O)Cc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001212616542 1137399764 /nfs/dbraw/zinc/39/97/64/1137399764.db2.gz JLUWAMWBHAUFGZ-UHFFFAOYSA-N 1 2 326.783 3.769 20 0 EHADLO CCC1(CC)CCCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001147335769 1137404713 /nfs/dbraw/zinc/40/47/13/1137404713.db2.gz KBMJEICIDRHBHB-IBGZPJMESA-N 1 2 344.499 3.698 20 0 EHADLO CCC1(CC)CCCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001147335769 1137404715 /nfs/dbraw/zinc/40/47/15/1137404715.db2.gz KBMJEICIDRHBHB-IBGZPJMESA-N 1 2 344.499 3.698 20 0 EHADLO CSCC[C@@H](C)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147311253 1137405003 /nfs/dbraw/zinc/40/50/03/1137405003.db2.gz QMOAJPWXSOYILB-OAGGEKHMSA-N 1 2 335.517 3.652 20 0 EHADLO CCC(CC)CCCN(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001149126312 1137423627 /nfs/dbraw/zinc/42/36/27/1137423627.db2.gz ULZKMHVADYBFMM-HXUWFJFHSA-N 1 2 346.515 3.944 20 0 EHADLO CCC(CC)CCCN(C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001149126312 1137423628 /nfs/dbraw/zinc/42/36/28/1137423628.db2.gz ULZKMHVADYBFMM-HXUWFJFHSA-N 1 2 346.515 3.944 20 0 EHADLO Cc1cc(CNC(=O)c2ccccc2NCC(F)(F)F)cc(C)[nH+]1 ZINC000868910765 1137428455 /nfs/dbraw/zinc/42/84/55/1137428455.db2.gz XAEFZPJHMHBTSL-UHFFFAOYSA-N 1 2 337.345 3.603 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869103579 1137436787 /nfs/dbraw/zinc/43/67/87/1137436787.db2.gz OVTPXWONNJEJHQ-HNNXBMFYSA-N 1 2 349.887 3.730 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869103579 1137436788 /nfs/dbraw/zinc/43/67/88/1137436788.db2.gz OVTPXWONNJEJHQ-HNNXBMFYSA-N 1 2 349.887 3.730 20 0 EHADLO Cc1cc(C(=O)OCCOCCCc2cccc(C)[nH+]2)sc1C ZINC000122460480 1137440414 /nfs/dbraw/zinc/44/04/14/1137440414.db2.gz ABMIIXQPYOTJTK-UHFFFAOYSA-N 1 2 333.453 3.875 20 0 EHADLO COCC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282786364 1137451192 /nfs/dbraw/zinc/45/11/92/1137451192.db2.gz PWIXDWSXEMEQLY-CLWJZODNSA-N 1 2 332.488 3.917 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)c(C)[nH+]1 ZINC000348199733 1137454262 /nfs/dbraw/zinc/45/42/62/1137454262.db2.gz QWXJQXBPGIYDSN-UHFFFAOYSA-N 1 2 325.343 3.652 20 0 EHADLO COc1cccc([C@@H](C)[NH2+]Cc2ncc(Br)s2)c1 ZINC000713628983 1137470416 /nfs/dbraw/zinc/47/04/16/1137470416.db2.gz KLSXSHQZOSCTNH-SECBINFHSA-N 1 2 327.247 3.765 20 0 EHADLO CCOc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714928511 1137474321 /nfs/dbraw/zinc/47/43/21/1137474321.db2.gz AXZFEIFOCOKLQK-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000870304370 1137486702 /nfs/dbraw/zinc/48/67/02/1137486702.db2.gz SBYQFNJVXWLPAW-SNAWJCMRSA-N 1 2 344.358 3.690 20 0 EHADLO Brc1ccc2[nH+]ccn2c1NCCOC1CCCCC1 ZINC001171481381 1137493882 /nfs/dbraw/zinc/49/38/82/1137493882.db2.gz XWKKIHYTAXWEER-UHFFFAOYSA-N 1 2 338.249 3.858 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](CCc1c(F)cccc1Cl)CC2 ZINC001171502539 1137494882 /nfs/dbraw/zinc/49/48/82/1137494882.db2.gz YXQGNTIYCJLSKK-UHFFFAOYSA-N 1 2 347.817 3.867 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](CCc1c(F)cccc1Cl)CC2 ZINC001171502539 1137494884 /nfs/dbraw/zinc/49/48/84/1137494884.db2.gz YXQGNTIYCJLSKK-UHFFFAOYSA-N 1 2 347.817 3.867 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172326755 1137547603 /nfs/dbraw/zinc/54/76/03/1137547603.db2.gz BSPJEWJEAHGJBO-IRXDYDNUSA-N 1 2 333.472 3.836 20 0 EHADLO CCOCC[C@H](C)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172424271 1137556611 /nfs/dbraw/zinc/55/66/11/1137556611.db2.gz CXWIKOWGNQDVGH-IRXDYDNUSA-N 1 2 349.519 3.782 20 0 EHADLO CCOCC[C@H](C)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172424271 1137556613 /nfs/dbraw/zinc/55/66/13/1137556613.db2.gz CXWIKOWGNQDVGH-IRXDYDNUSA-N 1 2 349.519 3.782 20 0 EHADLO C[C@@H](c1nc(C2(c3ccc(Br)cc3)CC2)no1)[NH+](C)C ZINC000871859023 1137561076 /nfs/dbraw/zinc/56/10/76/1137561076.db2.gz DOPQPPAOBITMNO-JTQLQIEISA-N 1 2 336.233 3.535 20 0 EHADLO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl ZINC000871925211 1137563150 /nfs/dbraw/zinc/56/31/50/1137563150.db2.gz XSVVXUPEKQTFKZ-HZMBPMFUSA-N 1 2 339.773 3.502 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@H](C)c1cc(O)ccc1F)O[C@H](C)C2 ZINC000872020499 1137565010 /nfs/dbraw/zinc/56/50/10/1137565010.db2.gz HLVDBDTZVKAOKM-VXGBXAGGSA-N 1 2 331.387 3.714 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCOC4(CCCC4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000872059143 1137568712 /nfs/dbraw/zinc/56/87/12/1137568712.db2.gz FFRUQSGEBXJWHI-ZACQAIPSSA-N 1 2 345.487 3.599 20 0 EHADLO CC(C)(C)[C@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000872061703 1137569034 /nfs/dbraw/zinc/56/90/34/1137569034.db2.gz ZCUGWDJPTSWBAV-VQIMIIECSA-N 1 2 343.471 3.968 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000872137144 1137573698 /nfs/dbraw/zinc/57/36/98/1137573698.db2.gz RBHXZCNLLKNVFB-GFCCVEGCSA-N 1 2 328.441 3.585 20 0 EHADLO [NH3+][C@@H](c1nc([C@@H]2CCCS2)no1)c1cccc(C(F)(F)F)c1 ZINC000872175031 1137575242 /nfs/dbraw/zinc/57/52/42/1137575242.db2.gz IRRBNUJTCVYAEW-WDEREUQCSA-N 1 2 329.347 3.705 20 0 EHADLO [NH3+][C@H](c1nc(CCc2ccco2)no1)c1cccc(C(F)(F)F)c1 ZINC000872176769 1137575487 /nfs/dbraw/zinc/57/54/87/1137575487.db2.gz XMACHMUGMDWPEL-AWEZNQCLSA-N 1 2 337.301 3.515 20 0 EHADLO Cc1cccc2c1N(C(=O)c1ccc(NCCn3cc[nH+]c3)cc1)CC2 ZINC001137058883 1137578373 /nfs/dbraw/zinc/57/83/73/1137578373.db2.gz YZHSNKLPAZRSFK-UHFFFAOYSA-N 1 2 346.434 3.507 20 0 EHADLO Fc1cccc2c(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c21 ZINC001137059195 1137579095 /nfs/dbraw/zinc/57/90/95/1137579095.db2.gz QFHHRPWYAZOCOT-QGZVFWFLSA-N 1 2 340.398 3.587 20 0 EHADLO Fc1cccc2c(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c21 ZINC001137059195 1137579096 /nfs/dbraw/zinc/57/90/96/1137579096.db2.gz QFHHRPWYAZOCOT-QGZVFWFLSA-N 1 2 340.398 3.587 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)CC[C@H](C(F)(F)F)O1 ZINC000872816861 1137584966 /nfs/dbraw/zinc/58/49/66/1137584966.db2.gz PRBCRVATFPCTOF-CZUORRHYSA-N 1 2 339.361 3.549 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)CC[C@H](C(F)(F)F)O1 ZINC000872816861 1137584967 /nfs/dbraw/zinc/58/49/67/1137584967.db2.gz PRBCRVATFPCTOF-CZUORRHYSA-N 1 2 339.361 3.549 20 0 EHADLO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000873164402 1137592076 /nfs/dbraw/zinc/59/20/76/1137592076.db2.gz IKFYDCDKLHKLSS-NSHDSACASA-N 1 2 326.849 3.500 20 0 EHADLO COc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c(C)c1OC ZINC000873174374 1137592429 /nfs/dbraw/zinc/59/24/29/1137592429.db2.gz GQJBCSNOWHKVEC-UHFFFAOYSA-N 1 2 344.455 3.805 20 0 EHADLO Cc1cn2c(C[NH2+]Cc3noc4c3CC(C)(C)CC4)c(C)nc2s1 ZINC000873175685 1137592480 /nfs/dbraw/zinc/59/24/80/1137592480.db2.gz OLCSWMYGWROSEJ-UHFFFAOYSA-N 1 2 344.484 3.805 20 0 EHADLO Fc1cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc(C(F)(F)F)c1 ZINC001137865832 1137607982 /nfs/dbraw/zinc/60/79/82/1137607982.db2.gz KFJRIEIAXSKXKX-ZDUSSCGKSA-N 1 2 339.279 3.845 20 0 EHADLO Fc1cc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc(C(F)(F)F)c1 ZINC001137865832 1137607983 /nfs/dbraw/zinc/60/79/83/1137607983.db2.gz KFJRIEIAXSKXKX-ZDUSSCGKSA-N 1 2 339.279 3.845 20 0 EHADLO CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC(F)(F)C1 ZINC000874147537 1137610940 /nfs/dbraw/zinc/61/09/40/1137610940.db2.gz VSMSBXQWWNYFPM-UHFFFAOYSA-N 1 2 329.416 3.503 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC000874146752 1137611019 /nfs/dbraw/zinc/61/10/19/1137611019.db2.gz MKTKMCQFUBLVJZ-UHFFFAOYSA-N 1 2 332.473 3.511 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C/C=C/Cc1ccccc1 ZINC000874158865 1137611202 /nfs/dbraw/zinc/61/12/02/1137611202.db2.gz JUCAHIXGAYPCDO-DVBCCOPCSA-N 1 2 325.456 3.603 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1ccnn1C1CCCCC1)n1cc[nH+]c1 ZINC000874302387 1137612737 /nfs/dbraw/zinc/61/27/37/1137612737.db2.gz KMPAUAJGJCNVJB-MRXNPFEDSA-N 1 2 329.448 3.811 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000874324922 1137613098 /nfs/dbraw/zinc/61/30/98/1137613098.db2.gz ULIYKXGYEVSHJS-ROUUACIJSA-N 1 2 325.456 3.693 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)s1 ZINC000874892720 1137625735 /nfs/dbraw/zinc/62/57/35/1137625735.db2.gz KVHLPMGVDUWQFW-GOSISDBHSA-N 1 2 346.471 3.691 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000876221390 1137646354 /nfs/dbraw/zinc/64/63/54/1137646354.db2.gz GFWCABZLOJNRLA-GDBMZVCRSA-N 1 2 344.459 3.566 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)o1 ZINC000125864024 1137648076 /nfs/dbraw/zinc/64/80/76/1137648076.db2.gz JURAJJQIHAGKCM-UHFFFAOYSA-N 1 2 332.831 3.508 20 0 EHADLO Cc1ccnc(C[N@H+](CCCO)Cc2ccccc2)c1Br ZINC000876692352 1137659184 /nfs/dbraw/zinc/65/91/84/1137659184.db2.gz QZNBWADTDDZPFB-UHFFFAOYSA-N 1 2 349.272 3.537 20 0 EHADLO Cc1ccnc(C[N@@H+](CCCO)Cc2ccccc2)c1Br ZINC000876692352 1137659185 /nfs/dbraw/zinc/65/91/85/1137659185.db2.gz QZNBWADTDDZPFB-UHFFFAOYSA-N 1 2 349.272 3.537 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000876738674 1137660030 /nfs/dbraw/zinc/66/00/30/1137660030.db2.gz JMHYFPYGKRIFQD-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC000876738674 1137660031 /nfs/dbraw/zinc/66/00/31/1137660031.db2.gz JMHYFPYGKRIFQD-NSHDSACASA-N 1 2 347.684 3.746 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(OC)cnc1F)CCC2 ZINC000876778765 1137661126 /nfs/dbraw/zinc/66/11/26/1137661126.db2.gz NWCPZLNAPPYXGV-CQSZACIVSA-N 1 2 335.448 3.758 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(OC)cnc1F)CCC2 ZINC000876778765 1137661127 /nfs/dbraw/zinc/66/11/27/1137661127.db2.gz NWCPZLNAPPYXGV-CQSZACIVSA-N 1 2 335.448 3.758 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(OC[C@H]3CCCO3)cc2)c1C ZINC000876826938 1137663042 /nfs/dbraw/zinc/66/30/42/1137663042.db2.gz KEJROTQWIHBQDW-GOSISDBHSA-N 1 2 342.439 3.877 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N3CCOC[C@@H]3C)cc2)c1C ZINC000876866235 1137664241 /nfs/dbraw/zinc/66/42/41/1137664241.db2.gz RROPIFYDQNGDPB-HNNXBMFYSA-N 1 2 341.455 3.544 20 0 EHADLO Cc1occc1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876962610 1137666363 /nfs/dbraw/zinc/66/63/63/1137666363.db2.gz UIIUTSBRTCGIDR-UHFFFAOYSA-N 1 2 349.431 3.626 20 0 EHADLO COc1cnc(F)c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000876986105 1137666939 /nfs/dbraw/zinc/66/69/39/1137666939.db2.gz XVPNRAJEFUMAQT-MRXNPFEDSA-N 1 2 328.391 3.593 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3ccccc3OCCCCO)ccc21 ZINC000877160476 1137671942 /nfs/dbraw/zinc/67/19/42/1137671942.db2.gz XMARHHGGALXJFE-UHFFFAOYSA-N 1 2 340.467 3.832 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3ccccc3OCCCCO)ccc21 ZINC000877160476 1137671943 /nfs/dbraw/zinc/67/19/43/1137671943.db2.gz XMARHHGGALXJFE-UHFFFAOYSA-N 1 2 340.467 3.832 20 0 EHADLO CCCn1cc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)nn1 ZINC000877514515 1137679167 /nfs/dbraw/zinc/67/91/67/1137679167.db2.gz MFWZAGLEINLXDJ-SFHVURJKSA-N 1 2 334.414 3.750 20 0 EHADLO Cc1ccnc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1Br ZINC000877523960 1137679576 /nfs/dbraw/zinc/67/95/76/1137679576.db2.gz OLPBOUICUODVLT-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccnc(C[N@H+]2CCC[C@H]2c2cccnc2)c1Br ZINC000877523960 1137679577 /nfs/dbraw/zinc/67/95/77/1137679577.db2.gz OLPBOUICUODVLT-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Clc1csc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000877530389 1137680042 /nfs/dbraw/zinc/68/00/42/1137680042.db2.gz DCMIZHNGHYKCSE-GFCCVEGCSA-N 1 2 332.860 3.811 20 0 EHADLO Clc1csc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000877530389 1137680043 /nfs/dbraw/zinc/68/00/43/1137680043.db2.gz DCMIZHNGHYKCSE-GFCCVEGCSA-N 1 2 332.860 3.811 20 0 EHADLO CC[N@H+](Cc1occc1C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000877590478 1137682172 /nfs/dbraw/zinc/68/21/72/1137682172.db2.gz YPXXTKOSSLAWBJ-UHFFFAOYSA-N 1 2 346.431 3.747 20 0 EHADLO CC[N@@H+](Cc1occc1C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000877590478 1137682173 /nfs/dbraw/zinc/68/21/73/1137682173.db2.gz YPXXTKOSSLAWBJ-UHFFFAOYSA-N 1 2 346.431 3.747 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cnc1Cl ZINC000877590326 1137682208 /nfs/dbraw/zinc/68/22/08/1137682208.db2.gz YVPBBMIYKYHTBX-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cnc1Cl ZINC000877590326 1137682209 /nfs/dbraw/zinc/68/22/09/1137682209.db2.gz YVPBBMIYKYHTBX-LJQANCHMSA-N 1 2 342.826 3.653 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1nc(Cl)cs1 ZINC000877640105 1137683914 /nfs/dbraw/zinc/68/39/14/1137683914.db2.gz UWMHIKMYKFAFAR-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(Cl)cs1 ZINC000877640105 1137683915 /nfs/dbraw/zinc/68/39/15/1137683915.db2.gz UWMHIKMYKFAFAR-UHFFFAOYSA-N 1 2 326.849 3.706 20 0 EHADLO C[C@H]([NH2+]Cc1scnc1Cl)c1ccc(Br)cn1 ZINC000878537098 1137719426 /nfs/dbraw/zinc/71/94/26/1137719426.db2.gz IXAMZRJRZPFIEY-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO COc1cnc(F)c(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1 ZINC000877651068 1137684439 /nfs/dbraw/zinc/68/44/39/1137684439.db2.gz RJNIIDZCLXVNBQ-UHFFFAOYSA-N 1 2 331.416 3.864 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(Cl)cs1)c1cccc(C(F)(F)F)c1 ZINC000877663614 1137684918 /nfs/dbraw/zinc/68/49/18/1137684918.db2.gz DKSFFFIXVQJKKC-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO Cn1nc(C(F)(F)F)c(C[NH2+]Cc2cccc(F)c2F)c1Cl ZINC000877672594 1137685153 /nfs/dbraw/zinc/68/51/53/1137685153.db2.gz HVOWKBQUPHTXCC-UHFFFAOYSA-N 1 2 339.695 3.660 20 0 EHADLO CCn1nc(C[N@@H+]2CCc3cccc(NC(C)=O)c3C2)c2ccccc21 ZINC000877680940 1137685528 /nfs/dbraw/zinc/68/55/28/1137685528.db2.gz BKVNIVMSXHCQPH-UHFFFAOYSA-N 1 2 348.450 3.573 20 0 EHADLO CCn1nc(C[N@H+]2CCc3cccc(NC(C)=O)c3C2)c2ccccc21 ZINC000877680940 1137685529 /nfs/dbraw/zinc/68/55/29/1137685529.db2.gz BKVNIVMSXHCQPH-UHFFFAOYSA-N 1 2 348.450 3.573 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000877683460 1137685733 /nfs/dbraw/zinc/68/57/33/1137685733.db2.gz XLZIGROEMWCZCZ-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccccc1OC(F)F)CC2 ZINC000877683460 1137685734 /nfs/dbraw/zinc/68/57/34/1137685734.db2.gz XLZIGROEMWCZCZ-UHFFFAOYSA-N 1 2 346.377 3.805 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000878029479 1137700005 /nfs/dbraw/zinc/70/00/05/1137700005.db2.gz WRZJTGWNGQXAAE-CYBMUJFWSA-N 1 2 346.862 3.578 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001137129867 1137709195 /nfs/dbraw/zinc/70/91/95/1137709195.db2.gz VYOVBRWYAUORRC-UHFFFAOYSA-N 1 2 325.799 3.531 20 0 EHADLO FC(F)(F)c1coc(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000878322124 1137710978 /nfs/dbraw/zinc/71/09/78/1137710978.db2.gz XMQVHPWFIUDZAW-UHFFFAOYSA-N 1 2 325.334 3.770 20 0 EHADLO Clc1cncc(Cl)c1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000878376717 1137713386 /nfs/dbraw/zinc/71/33/86/1137713386.db2.gz YKLQGXJPBDVTQA-UHFFFAOYSA-N 1 2 337.206 3.896 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2scnc2Cl)CC1 ZINC000878437491 1137715850 /nfs/dbraw/zinc/71/58/50/1137715850.db2.gz XIPBUZUISSPWAQ-NSHDSACASA-N 1 2 327.906 3.737 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)sc1Br ZINC000878553251 1137719838 /nfs/dbraw/zinc/71/98/38/1137719838.db2.gz OKRQIHLKUXOQNA-LLVKDONJSA-N 1 2 338.274 3.599 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccccn3)C2)sc1Br ZINC000878553251 1137719839 /nfs/dbraw/zinc/71/98/39/1137719839.db2.gz OKRQIHLKUXOQNA-LLVKDONJSA-N 1 2 338.274 3.599 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000878555833 1137719993 /nfs/dbraw/zinc/71/99/93/1137719993.db2.gz IDXCTZGQRRAJKU-ZDUSSCGKSA-N 1 2 330.457 3.520 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878611792 1137722289 /nfs/dbraw/zinc/72/22/89/1137722289.db2.gz SDYBGLFWYLSTLS-OAHLLOKOSA-N 1 2 342.439 3.605 20 0 EHADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878611792 1137722290 /nfs/dbraw/zinc/72/22/90/1137722290.db2.gz SDYBGLFWYLSTLS-OAHLLOKOSA-N 1 2 342.439 3.605 20 0 EHADLO CCOc1ccc([C@@H](O)C2CC[NH+](CC(F)(F)CC)CC2)cc1 ZINC000878635552 1137723258 /nfs/dbraw/zinc/72/32/58/1137723258.db2.gz YGPDOLLLLQSVQV-QGZVFWFLSA-N 1 2 327.415 3.876 20 0 EHADLO Cc1cc2scc(CC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2s1 ZINC000878720263 1137726092 /nfs/dbraw/zinc/72/60/92/1137726092.db2.gz MELKXTHTWSCRKT-AWEZNQCLSA-N 1 2 345.493 3.874 20 0 EHADLO Oc1ccccc1-c1nnc(C[NH2+]C2(c3cccc(F)c3)CCC2)o1 ZINC000878760695 1137727378 /nfs/dbraw/zinc/72/73/78/1137727378.db2.gz KSLDUSUTQGATCZ-UHFFFAOYSA-N 1 2 339.370 3.750 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(C)c(Cl)n1)c1nnc2n1CCCCC2 ZINC000878964520 1137733737 /nfs/dbraw/zinc/73/37/37/1137733737.db2.gz AQEXQNFOQYFXEJ-AWEZNQCLSA-N 1 2 333.867 3.602 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326079 1137744549 /nfs/dbraw/zinc/74/45/49/1137744549.db2.gz PLLWJHVYQGRUKT-WDEREUQCSA-N 1 2 339.798 3.528 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000879326079 1137744550 /nfs/dbraw/zinc/74/45/50/1137744550.db2.gz PLLWJHVYQGRUKT-WDEREUQCSA-N 1 2 339.798 3.528 20 0 EHADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000879606524 1137752166 /nfs/dbraw/zinc/75/21/66/1137752166.db2.gz WARCNEKQTJHHBS-LPHOPBHVSA-N 1 2 341.455 3.983 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879728424 1137756747 /nfs/dbraw/zinc/75/67/47/1137756747.db2.gz OKOINKNDOYCTFB-UHFFFAOYSA-N 1 2 337.423 3.680 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879728424 1137756748 /nfs/dbraw/zinc/75/67/48/1137756748.db2.gz OKOINKNDOYCTFB-UHFFFAOYSA-N 1 2 337.423 3.680 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1snc2ccccc21 ZINC000879826208 1137760060 /nfs/dbraw/zinc/76/00/60/1137760060.db2.gz NIRNAASXGYBVDV-AWEZNQCLSA-N 1 2 343.456 3.729 20 0 EHADLO Cc1cnc(Cl)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000879977574 1137763737 /nfs/dbraw/zinc/76/37/37/1137763737.db2.gz XXSGIJMOGMKTOH-HDJSIYSDSA-N 1 2 344.846 3.592 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999651 1137764068 /nfs/dbraw/zinc/76/40/68/1137764068.db2.gz GXAPNYGPGYETAN-IINYFYTJSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999651 1137764069 /nfs/dbraw/zinc/76/40/69/1137764069.db2.gz GXAPNYGPGYETAN-IINYFYTJSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000880002554 1137764514 /nfs/dbraw/zinc/76/45/14/1137764514.db2.gz LLGHPLPPTCEYNZ-CQSZACIVSA-N 1 2 343.374 3.509 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000880002554 1137764515 /nfs/dbraw/zinc/76/45/15/1137764515.db2.gz LLGHPLPPTCEYNZ-CQSZACIVSA-N 1 2 343.374 3.509 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880302130 1137773972 /nfs/dbraw/zinc/77/39/72/1137773972.db2.gz DPXZKJRCHFUVHX-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000880302130 1137773973 /nfs/dbraw/zinc/77/39/73/1137773973.db2.gz DPXZKJRCHFUVHX-HNNXBMFYSA-N 1 2 344.308 3.634 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCC(=O)Nc1ccccc1)C3 ZINC000880369172 1137776634 /nfs/dbraw/zinc/77/66/34/1137776634.db2.gz RTLCCFDCSBSCLF-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCC(=O)Nc1ccccc1)C3 ZINC000880369172 1137776635 /nfs/dbraw/zinc/77/66/35/1137776635.db2.gz RTLCCFDCSBSCLF-UHFFFAOYSA-N 1 2 349.434 3.563 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)o1 ZINC000880537059 1137780776 /nfs/dbraw/zinc/78/07/76/1137780776.db2.gz BWDCWHSEILRECI-GUYCJALGSA-N 1 2 333.391 3.877 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)o1 ZINC000880537059 1137780777 /nfs/dbraw/zinc/78/07/77/1137780777.db2.gz BWDCWHSEILRECI-GUYCJALGSA-N 1 2 333.391 3.877 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000880686268 1137784398 /nfs/dbraw/zinc/78/43/98/1137784398.db2.gz DCMJSRFZDWQYGY-UHFFFAOYSA-N 1 2 338.333 3.898 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000880744391 1137787906 /nfs/dbraw/zinc/78/79/06/1137787906.db2.gz MSCBDVGTLWKJMZ-CQSZACIVSA-N 1 2 328.391 3.838 20 0 EHADLO Cc1csc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001137160132 1137790893 /nfs/dbraw/zinc/79/08/93/1137790893.db2.gz SKYYWAUQAZRQQZ-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000880866080 1137792227 /nfs/dbraw/zinc/79/22/27/1137792227.db2.gz QNQLNPCPVLBXAA-CQSZACIVSA-N 1 2 340.427 3.707 20 0 EHADLO CC1CCC([N@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000129023120 1137807720 /nfs/dbraw/zinc/80/77/20/1137807720.db2.gz FMLGRTYVNARVDB-UHFFFAOYSA-N 1 2 329.419 3.517 20 0 EHADLO CC1CCC([N@@H+](C)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000129023120 1137807721 /nfs/dbraw/zinc/80/77/21/1137807721.db2.gz FMLGRTYVNARVDB-UHFFFAOYSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000881657355 1137812780 /nfs/dbraw/zinc/81/27/80/1137812780.db2.gz MECVQMUVAXTQBV-ZFWWWQNUSA-N 1 2 347.409 3.907 20 0 EHADLO C[C@H]1c2sccc2CCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000882180125 1137822869 /nfs/dbraw/zinc/82/28/69/1137822869.db2.gz ARYVDTVTEPVYMT-JQWIXIFHSA-N 1 2 343.374 3.584 20 0 EHADLO OCc1cc[nH+]c(N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000882257150 1137824543 /nfs/dbraw/zinc/82/45/43/1137824543.db2.gz VMBWABDLWJIOGI-GFCCVEGCSA-N 1 2 325.195 3.816 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882574717 1137829741 /nfs/dbraw/zinc/82/97/41/1137829741.db2.gz JSFCCRQGPGDYOR-NOZJJQNGSA-N 1 2 329.297 3.800 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000882574717 1137829742 /nfs/dbraw/zinc/82/97/42/1137829742.db2.gz JSFCCRQGPGDYOR-NOZJJQNGSA-N 1 2 329.297 3.800 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ncc1Cl ZINC000130109400 1137834130 /nfs/dbraw/zinc/83/41/30/1137834130.db2.gz PHXQEKRBIGEERL-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000130318854 1137836098 /nfs/dbraw/zinc/83/60/98/1137836098.db2.gz YXBZRNZINOMNMT-AYBZRNKSSA-N 1 2 338.455 3.735 20 0 EHADLO c1cn(CCOc2ccccc2NCc2cccc3c2CCOC3)c[nH+]1 ZINC000883057577 1137843118 /nfs/dbraw/zinc/84/31/18/1137843118.db2.gz RSMNXLJCXJEMBI-UHFFFAOYSA-N 1 2 349.434 3.647 20 0 EHADLO CCSc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000883245182 1137850215 /nfs/dbraw/zinc/85/02/15/1137850215.db2.gz GNNFPBPZQJOKFW-LLVKDONJSA-N 1 2 336.482 3.893 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c(Cl)n1 ZINC000883292463 1137853151 /nfs/dbraw/zinc/85/31/51/1137853151.db2.gz OUFBHDCTLPIBLG-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000883382725 1137858378 /nfs/dbraw/zinc/85/83/78/1137858378.db2.gz MCDBRARAIWMYBI-CVEARBPZSA-N 1 2 335.220 3.959 20 0 EHADLO Fc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)cc1 ZINC001137891429 1137860594 /nfs/dbraw/zinc/86/05/94/1137860594.db2.gz PXKZBWOBEBNUQM-AWEZNQCLSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)cc1 ZINC001137891429 1137860595 /nfs/dbraw/zinc/86/05/95/1137860595.db2.gz PXKZBWOBEBNUQM-AWEZNQCLSA-N 1 2 325.305 3.896 20 0 EHADLO C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C2CC2)O1 ZINC000348226688 1137861852 /nfs/dbraw/zinc/86/18/52/1137861852.db2.gz ICGSMDSXYFZSMV-KKSFZXQISA-N 1 2 338.451 3.660 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H](C2CC2)O1 ZINC000348226688 1137861853 /nfs/dbraw/zinc/86/18/53/1137861853.db2.gz ICGSMDSXYFZSMV-KKSFZXQISA-N 1 2 338.451 3.660 20 0 EHADLO O=C(CCCOc1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861699 1137871811 /nfs/dbraw/zinc/87/18/11/1137871811.db2.gz QGNPTCYVYLYQQM-UHFFFAOYSA-N 1 2 347.846 3.559 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348246023 1137875344 /nfs/dbraw/zinc/87/53/44/1137875344.db2.gz LBMPCSHGWXUMKA-ZFWWWQNUSA-N 1 2 330.394 3.970 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348246023 1137875345 /nfs/dbraw/zinc/87/53/45/1137875345.db2.gz LBMPCSHGWXUMKA-ZFWWWQNUSA-N 1 2 330.394 3.970 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245996 1137875351 /nfs/dbraw/zinc/87/53/51/1137875351.db2.gz KXACXELHKAQCHG-PWSUYJOCSA-N 1 2 327.375 3.978 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000348245996 1137875352 /nfs/dbraw/zinc/87/53/52/1137875352.db2.gz KXACXELHKAQCHG-PWSUYJOCSA-N 1 2 327.375 3.978 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103312889 1137875922 /nfs/dbraw/zinc/87/59/22/1137875922.db2.gz LDZGAWNYDMTAMA-UHFFFAOYSA-N 1 2 346.862 3.516 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000103494623 1137876563 /nfs/dbraw/zinc/87/65/63/1137876563.db2.gz IMBWDYHRONWPMO-IAGOWNOFSA-N 1 2 325.456 3.530 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnn1CCCOC ZINC000282849022 1137878706 /nfs/dbraw/zinc/87/87/06/1137878706.db2.gz SNNHTHOEYGBMAM-UHFFFAOYSA-N 1 2 327.881 3.657 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnn1CCCOC ZINC000282849022 1137878707 /nfs/dbraw/zinc/87/87/07/1137878707.db2.gz SNNHTHOEYGBMAM-UHFFFAOYSA-N 1 2 327.881 3.657 20 0 EHADLO Cc1ccc2c(Nc3ccc(N4CCOCC4=O)cc3)cccc2[nH+]1 ZINC001212797844 1137884558 /nfs/dbraw/zinc/88/45/58/1137884558.db2.gz NGGQNODZHVRJFF-UHFFFAOYSA-N 1 2 333.391 3.650 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000106859506 1137884845 /nfs/dbraw/zinc/88/48/45/1137884845.db2.gz QGEUWHGFDOXDAM-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000106859506 1137884846 /nfs/dbraw/zinc/88/48/46/1137884846.db2.gz QGEUWHGFDOXDAM-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO C[C@@]1(C(F)(F)F)CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC000883989073 1137887764 /nfs/dbraw/zinc/88/77/64/1137887764.db2.gz INBVOULDSCBBBV-QGZVFWFLSA-N 1 2 349.356 3.662 20 0 EHADLO O=C(NCC1CCC(F)CC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889300986 1137887914 /nfs/dbraw/zinc/88/79/14/1137887914.db2.gz FMRDMVRDEXMCNF-GWEOLNPGSA-N 1 2 348.466 3.632 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756251 1137897078 /nfs/dbraw/zinc/89/70/78/1137897078.db2.gz IYYOGFDYDKBIOM-AAEUAGOBSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756251 1137897079 /nfs/dbraw/zinc/89/70/79/1137897079.db2.gz IYYOGFDYDKBIOM-AAEUAGOBSA-N 1 2 346.374 3.599 20 0 EHADLO O=C([C@@H](F)c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103493 1137897804 /nfs/dbraw/zinc/89/78/04/1137897804.db2.gz NKUHWZJJZYHYSK-AEFFLSMTSA-N 1 2 341.430 3.636 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000111376160 1137904298 /nfs/dbraw/zinc/90/42/98/1137904298.db2.gz BMWQELDOCOLKSF-RBSFLKMASA-N 1 2 345.512 3.665 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111375703 1137904333 /nfs/dbraw/zinc/90/43/33/1137904333.db2.gz ACRVKAIOJMAFDS-QWHCGFSZSA-N 1 2 347.484 3.782 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000111376751 1137904495 /nfs/dbraw/zinc/90/44/95/1137904495.db2.gz FQLIFFCWHDLJIN-RYUDHWBXSA-N 1 2 335.448 3.831 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000112699418 1137909384 /nfs/dbraw/zinc/90/93/84/1137909384.db2.gz LDYBHHSIWRBDIX-GOSISDBHSA-N 1 2 329.444 3.793 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000112699418 1137909385 /nfs/dbraw/zinc/90/93/85/1137909385.db2.gz LDYBHHSIWRBDIX-GOSISDBHSA-N 1 2 329.444 3.793 20 0 EHADLO FC1(F)CCC[C@@H]1[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001202668330 1137915171 /nfs/dbraw/zinc/91/51/71/1137915171.db2.gz WBBBMKQQIYCXHT-KRWDZBQOSA-N 1 2 328.366 3.698 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331673020 1137916670 /nfs/dbraw/zinc/91/66/70/1137916670.db2.gz ZASNLDZXNQUMOG-HNNXBMFYSA-N 1 2 329.444 3.660 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331673020 1137916671 /nfs/dbraw/zinc/91/66/71/1137916671.db2.gz ZASNLDZXNQUMOG-HNNXBMFYSA-N 1 2 329.444 3.660 20 0 EHADLO CCc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cnn1C(CC)CC ZINC000331806775 1137921527 /nfs/dbraw/zinc/92/15/27/1137921527.db2.gz KQCRIFJWWNAKGQ-AWEZNQCLSA-N 1 2 343.475 3.550 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000115455787 1137921996 /nfs/dbraw/zinc/92/19/96/1137921996.db2.gz CMGUFZPBAOQRIP-DYESRHJHSA-N 1 2 345.446 3.950 20 0 EHADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000331902520 1137925161 /nfs/dbraw/zinc/92/51/61/1137925161.db2.gz JTNNOGMHMFQYQG-CQSZACIVSA-N 1 2 335.496 3.519 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1coc2ccccc12 ZINC000116644062 1137926741 /nfs/dbraw/zinc/92/67/41/1137926741.db2.gz YRTCTOCVXXFEPO-UHFFFAOYSA-N 1 2 336.391 3.517 20 0 EHADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331953561 1137926751 /nfs/dbraw/zinc/92/67/51/1137926751.db2.gz PBKOPMYDPBPOPR-KBAYOESNSA-N 1 2 347.503 3.593 20 0 EHADLO Cc1cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc(C)c1Cl ZINC000332013958 1137928666 /nfs/dbraw/zinc/92/86/66/1137928666.db2.gz YAPMGUMAUVAPDU-UHFFFAOYSA-N 1 2 332.835 3.811 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cs1 ZINC000121222403 1137956010 /nfs/dbraw/zinc/95/60/10/1137956010.db2.gz ZMYWKILDSPFGHE-ZDUSSCGKSA-N 1 2 331.485 3.819 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)cc1 ZINC000333149923 1137956590 /nfs/dbraw/zinc/95/65/90/1137956590.db2.gz LPFGRGUNMFFKAY-IBGZPJMESA-N 1 2 338.455 3.758 20 0 EHADLO Cc1ccc([C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CC2)cc1 ZINC000333149923 1137956591 /nfs/dbraw/zinc/95/65/91/1137956591.db2.gz LPFGRGUNMFFKAY-IBGZPJMESA-N 1 2 338.455 3.758 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC[C@@H]1CCCC1(F)F ZINC000884513779 1137961988 /nfs/dbraw/zinc/96/19/88/1137961988.db2.gz RJLMFKGVHVNEIT-INIZCTEOSA-N 1 2 348.393 3.843 20 0 EHADLO CC(C)(C)OC1CC(N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000514967279 1137985119 /nfs/dbraw/zinc/98/51/19/1137985119.db2.gz ZDNWAAMDEXCPSY-YFHOEESVSA-N 1 2 328.500 3.664 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)ccc1N1CCC(C)CC1)n1cc[nH+]c1 ZINC000885635743 1138013404 /nfs/dbraw/zinc/01/34/04/1138013404.db2.gz VHBVFOHSQZZVSQ-OAHLLOKOSA-N 1 2 344.434 3.848 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1F ZINC000348353723 1138018164 /nfs/dbraw/zinc/01/81/64/1138018164.db2.gz IEPUMFWZPWIMAS-CYBMUJFWSA-N 1 2 342.443 3.979 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCc4cnc(C5CC5)nc4C3)ccc2c1 ZINC001137219372 1138018827 /nfs/dbraw/zinc/01/88/27/1138018827.db2.gz GLVARFLHFILRFM-UHFFFAOYSA-N 1 2 330.435 3.769 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCc4cnc(C5CC5)nc4C3)ccc2c1 ZINC001137219372 1138018830 /nfs/dbraw/zinc/01/88/30/1138018830.db2.gz GLVARFLHFILRFM-UHFFFAOYSA-N 1 2 330.435 3.769 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)c(F)c1 ZINC000282954493 1138064813 /nfs/dbraw/zinc/06/48/13/1138064813.db2.gz HMJNARJIDSXBOG-KGLIPLIRSA-N 1 2 333.357 3.658 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)c(F)c1 ZINC000282954493 1138064816 /nfs/dbraw/zinc/06/48/16/1138064816.db2.gz HMJNARJIDSXBOG-KGLIPLIRSA-N 1 2 333.357 3.658 20 0 EHADLO Cc1cccn2c(CNc3cccc([C@H]4CCCC(=O)N4)c3)c[nH+]c12 ZINC000886373074 1138071931 /nfs/dbraw/zinc/07/19/31/1138071931.db2.gz KFEFUTUUKKQGGV-GOSISDBHSA-N 1 2 334.423 3.596 20 0 EHADLO COc1cc(C[N@H+](C)Cc2c(C)nn(C)c2Cl)ccc1SC ZINC000066155783 1138074219 /nfs/dbraw/zinc/07/42/19/1138074219.db2.gz QGWNZTGVEGWFOC-UHFFFAOYSA-N 1 2 339.892 3.744 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2c(C)nn(C)c2Cl)ccc1SC ZINC000066155783 1138074221 /nfs/dbraw/zinc/07/42/21/1138074221.db2.gz QGWNZTGVEGWFOC-UHFFFAOYSA-N 1 2 339.892 3.744 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000886439251 1138077970 /nfs/dbraw/zinc/07/79/70/1138077970.db2.gz SHMBYMDUWKSXJG-INIZCTEOSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000886439251 1138077972 /nfs/dbraw/zinc/07/79/72/1138077972.db2.gz SHMBYMDUWKSXJG-INIZCTEOSA-N 1 2 325.239 3.862 20 0 EHADLO COC(=O)[C@H]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000886601378 1138100614 /nfs/dbraw/zinc/10/06/14/1138100614.db2.gz QZQTYZFLROROKZ-DOTOQJQBSA-N 1 2 339.439 3.640 20 0 EHADLO Fc1cc(Br)c(C[NH2+][C@@H]2CCc3cccnc32)cc1F ZINC000886609068 1138101481 /nfs/dbraw/zinc/10/14/81/1138101481.db2.gz LFPWMTFQUYVUBJ-CQSZACIVSA-N 1 2 339.183 3.899 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(Cc3ccccc3F)no1)CC2 ZINC000886712784 1138122895 /nfs/dbraw/zinc/12/28/95/1138122895.db2.gz MKJBHHMPNKULGM-GOSISDBHSA-N 1 2 337.398 3.885 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000886712487 1138123058 /nfs/dbraw/zinc/12/30/58/1138123058.db2.gz FICQMRXHODOQOD-CQSZACIVSA-N 1 2 325.387 3.959 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000886712965 1138123092 /nfs/dbraw/zinc/12/30/92/1138123092.db2.gz QIKFGALOXBBZJY-CYBMUJFWSA-N 1 2 341.386 3.659 20 0 EHADLO COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000886940471 1138173670 /nfs/dbraw/zinc/17/36/70/1138173670.db2.gz XRVQCXLXQUTSKO-DOMZBBRYSA-N 1 2 337.366 3.542 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(F)cc1F ZINC000084138360 1138177934 /nfs/dbraw/zinc/17/79/34/1138177934.db2.gz NEVSDUXOPNPVEK-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(F)cc1F ZINC000084138360 1138177937 /nfs/dbraw/zinc/17/79/37/1138177937.db2.gz NEVSDUXOPNPVEK-UHFFFAOYSA-N 1 2 336.304 3.568 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233400 1138186192 /nfs/dbraw/zinc/18/61/92/1138186192.db2.gz HUMSFGMATCSRTB-GJZGRUSLSA-N 1 2 342.439 3.691 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233400 1138186194 /nfs/dbraw/zinc/18/61/94/1138186194.db2.gz HUMSFGMATCSRTB-GJZGRUSLSA-N 1 2 342.439 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCSCC1 ZINC000089983432 1138208282 /nfs/dbraw/zinc/20/82/82/1138208282.db2.gz XFZWFWSWPKOPNC-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCSCC1 ZINC000089983432 1138208284 /nfs/dbraw/zinc/20/82/84/1138208284.db2.gz XFZWFWSWPKOPNC-SNVBAGLBSA-N 1 2 333.284 3.759 20 0 EHADLO O=C1Nc2ccccc2S[C@@H]1CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102454 1138211402 /nfs/dbraw/zinc/21/14/02/1138211402.db2.gz QFRBNEFBEXSSCP-CQSZACIVSA-N 1 2 326.412 3.609 20 0 EHADLO O=C1Nc2ccccc2S[C@@H]1CC[N@H+](CC(F)F)C1CCC1 ZINC000887102454 1138211404 /nfs/dbraw/zinc/21/14/04/1138211404.db2.gz QFRBNEFBEXSSCP-CQSZACIVSA-N 1 2 326.412 3.609 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cs1 ZINC000091723619 1138220931 /nfs/dbraw/zinc/22/09/31/1138220931.db2.gz FIHUQPLLRPYQQZ-RYUDHWBXSA-N 1 2 329.473 3.777 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)o1 ZINC000093809973 1138241323 /nfs/dbraw/zinc/24/13/23/1138241323.db2.gz FOOKWNGYBADXGN-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)o1 ZINC000093809973 1138241325 /nfs/dbraw/zinc/24/13/25/1138241325.db2.gz FOOKWNGYBADXGN-KRWDZBQOSA-N 1 2 340.402 3.860 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2C)s1 ZINC000122151716 1138255058 /nfs/dbraw/zinc/25/50/58/1138255058.db2.gz OOWKTWXNYXETOC-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C)s1 ZINC000122151716 1138255060 /nfs/dbraw/zinc/25/50/60/1138255060.db2.gz OOWKTWXNYXETOC-AWEZNQCLSA-N 1 2 331.485 3.954 20 0 EHADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C(C)C ZINC000122810787 1138262430 /nfs/dbraw/zinc/26/24/30/1138262430.db2.gz KOQHSVZDOZLPHE-KBXCAEBGSA-N 1 2 328.460 3.606 20 0 EHADLO COc1ccc([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1C ZINC000887318726 1138264065 /nfs/dbraw/zinc/26/40/65/1138264065.db2.gz ZKYUPRTVPZNAKS-WBVHZDCISA-N 1 2 329.444 3.665 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC2(CCC2)C1 ZINC000123303212 1138269020 /nfs/dbraw/zinc/26/90/20/1138269020.db2.gz VJMSRNZNBIOLFI-LBPRGKRZSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC2(CCC2)C1 ZINC000123303212 1138269021 /nfs/dbraw/zinc/26/90/21/1138269021.db2.gz VJMSRNZNBIOLFI-LBPRGKRZSA-N 1 2 337.261 3.652 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)Cc1cccc(F)c1 ZINC000125602305 1138312128 /nfs/dbraw/zinc/31/21/28/1138312128.db2.gz DEDNSWDIGYXAPV-FCEWJHQRSA-N 1 2 343.446 3.701 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126387323 1138330230 /nfs/dbraw/zinc/33/02/30/1138330230.db2.gz XKXAAHBCESAJDO-PALPZSCYSA-N 1 2 329.831 3.659 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)c1nc(C2CC2)no1 ZINC000126521487 1138332445 /nfs/dbraw/zinc/33/24/45/1138332445.db2.gz ZAHXWLRGOBIOAP-ZIAGYGMSSA-N 1 2 326.444 3.959 20 0 EHADLO Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000263695622 1138344717 /nfs/dbraw/zinc/34/47/17/1138344717.db2.gz JKLRCSPGEZACSN-FQEVSTJZSA-N 1 2 345.446 3.870 20 0 EHADLO C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000263736693 1138353351 /nfs/dbraw/zinc/35/33/51/1138353351.db2.gz DOBATYPOKSNLFV-CYBMUJFWSA-N 1 2 338.411 3.526 20 0 EHADLO Cc1nnc([C@H]2CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)[nH]1 ZINC000334053197 1138365208 /nfs/dbraw/zinc/36/52/08/1138365208.db2.gz SRTVXTZHHGYZEZ-AWEZNQCLSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1nnc([C@H]2CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)[nH]1 ZINC000334053197 1138365212 /nfs/dbraw/zinc/36/52/12/1138365212.db2.gz SRTVXTZHHGYZEZ-AWEZNQCLSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1cccc(C2(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CCCC2)c1 ZINC000263855638 1138381562 /nfs/dbraw/zinc/38/15/62/1138381562.db2.gz ZZDDRPCWMZZOBE-UHFFFAOYSA-N 1 2 337.467 3.936 20 0 EHADLO CCC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000263865397 1138382863 /nfs/dbraw/zinc/38/28/63/1138382863.db2.gz WGMKTRQOKVURHT-KRWDZBQOSA-N 1 2 326.444 3.840 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263865221 1138383207 /nfs/dbraw/zinc/38/32/07/1138383207.db2.gz WCNOGSRJWYVDIA-UHFFFAOYSA-N 1 2 346.862 3.585 20 0 EHADLO C[N@H+](Cc1nc2ccccc2n1C(F)F)[C@@H](CO)c1ccccc1 ZINC000264043323 1138410293 /nfs/dbraw/zinc/41/02/93/1138410293.db2.gz SQIFTNKPEUVPAH-INIZCTEOSA-N 1 2 331.366 3.597 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@@H](CO)c1ccccc1 ZINC000264043323 1138410296 /nfs/dbraw/zinc/41/02/96/1138410296.db2.gz SQIFTNKPEUVPAH-INIZCTEOSA-N 1 2 331.366 3.597 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CCc2cccs2)c1)[NH+]1CCOCC1 ZINC000264174887 1138434388 /nfs/dbraw/zinc/43/43/88/1138434388.db2.gz CYWASQLKNMFCGJ-HNNXBMFYSA-N 1 2 344.480 3.713 20 0 EHADLO CN(Cc1ccnn1C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000336982017 1138441036 /nfs/dbraw/zinc/44/10/36/1138441036.db2.gz DTUYWSXQFRFLDC-UHFFFAOYSA-N 1 2 349.207 3.506 20 0 EHADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000264210576 1138444392 /nfs/dbraw/zinc/44/43/92/1138444392.db2.gz VXHXOJAADGUDOV-OAHLLOKOSA-N 1 2 329.419 3.723 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1)[NH+]1CCOCC1 ZINC000264221055 1138446822 /nfs/dbraw/zinc/44/68/22/1138446822.db2.gz KOBPZVRYIBWSFW-OAHLLOKOSA-N 1 2 349.434 3.813 20 0 EHADLO Fc1ccc(C2CC[NH+](Cc3nccn3C(F)F)CC2)cc1F ZINC000264221881 1138446860 /nfs/dbraw/zinc/44/68/60/1138446860.db2.gz VXXJMEYCWOHWIM-UHFFFAOYSA-N 1 2 327.325 3.936 20 0 EHADLO Cc1ncsc1C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000264237664 1138450922 /nfs/dbraw/zinc/45/09/22/1138450922.db2.gz DYUBWHDZPFTJEG-LLVKDONJSA-N 1 2 332.404 3.800 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2c(F)cccc2F)c1)[NH+]1CCOCC1 ZINC000264279591 1138462794 /nfs/dbraw/zinc/46/27/94/1138462794.db2.gz TYTANMCROMAYQL-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccsc1 ZINC000337128632 1138473435 /nfs/dbraw/zinc/47/34/35/1138473435.db2.gz ABUAABZRIGISBZ-HUUCEWRRSA-N 1 2 343.496 3.791 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000264337311 1138480913 /nfs/dbraw/zinc/48/09/13/1138480913.db2.gz AAVNSUBQERCNMR-NWDGAFQWSA-N 1 2 340.254 3.573 20 0 EHADLO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1cn(-c2ccccc2)nn1 ZINC000337204686 1138494839 /nfs/dbraw/zinc/49/48/39/1138494839.db2.gz JCQLYGHYMZHSEP-HNNXBMFYSA-N 1 2 329.407 3.666 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H](C)c2cccs2)s1 ZINC000264462650 1138524522 /nfs/dbraw/zinc/52/45/22/1138524522.db2.gz VNSFAZHHAHKSOM-PWSUYJOCSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H](C)c2cccs2)s1 ZINC000264462650 1138524526 /nfs/dbraw/zinc/52/45/26/1138524526.db2.gz VNSFAZHHAHKSOM-PWSUYJOCSA-N 1 2 337.514 3.692 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264488347 1138533681 /nfs/dbraw/zinc/53/36/81/1138533681.db2.gz BUHADDZKQOJGRE-AEFFLSMTSA-N 1 2 340.471 3.547 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000337542190 1138599911 /nfs/dbraw/zinc/59/99/11/1138599911.db2.gz JHPXYQLHPQOAFG-FMIVXFBMSA-N 1 2 336.361 3.524 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCn2nc(C)nc2C1 ZINC000337542190 1138599916 /nfs/dbraw/zinc/59/99/16/1138599916.db2.gz JHPXYQLHPQOAFG-FMIVXFBMSA-N 1 2 336.361 3.524 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132853232 1138606918 /nfs/dbraw/zinc/60/69/18/1138606918.db2.gz GMXCUBFYHLSULU-ZDUSSCGKSA-N 1 2 330.453 3.532 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132853232 1138606920 /nfs/dbraw/zinc/60/69/20/1138606920.db2.gz GMXCUBFYHLSULU-ZDUSSCGKSA-N 1 2 330.453 3.532 20 0 EHADLO O=C(c1cccn1C1CCCC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337576292 1138610591 /nfs/dbraw/zinc/61/05/91/1138610591.db2.gz GHNAKVVKVNAKRR-GOSISDBHSA-N 1 2 341.430 3.529 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccc2ccccc2c1 ZINC000337615370 1138621772 /nfs/dbraw/zinc/62/17/72/1138621772.db2.gz DIVQINFEPCDESV-KKSFZXQISA-N 1 2 345.446 3.511 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264770615 1138634178 /nfs/dbraw/zinc/63/41/78/1138634178.db2.gz SEKPVNBBXBOGRL-HZPDHXFCSA-N 1 2 333.476 3.590 20 0 EHADLO CC[C@H](C)CN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264770621 1138634252 /nfs/dbraw/zinc/63/42/52/1138634252.db2.gz SEKPVNBBXBOGRL-JKSUJKDBSA-N 1 2 333.476 3.590 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000264864537 1138660814 /nfs/dbraw/zinc/66/08/14/1138660814.db2.gz LKNNWFOROYLZEO-SFHVURJKSA-N 1 2 338.455 3.758 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000134380953 1138684371 /nfs/dbraw/zinc/68/43/71/1138684371.db2.gz QXVUFNJVTBJKRD-UHFFFAOYSA-N 1 2 327.215 3.744 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccccc1Oc1ccncc1 ZINC000337948249 1138705054 /nfs/dbraw/zinc/70/50/54/1138705054.db2.gz VVEYGYNJURLELV-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CC1=C(c2ccco2)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000338125495 1138758720 /nfs/dbraw/zinc/75/87/20/1138758720.db2.gz SXRBTAAFDVUNEU-UHFFFAOYSA-N 1 2 347.418 3.844 20 0 EHADLO CCN(Cc1cccc(F)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338131898 1138760788 /nfs/dbraw/zinc/76/07/88/1138760788.db2.gz HMMYHTFSVGXQNZ-UHFFFAOYSA-N 1 2 337.398 3.733 20 0 EHADLO C[C@H](c1cccc(NC(=O)NC2CCC=CCC2)c1)[NH+]1CCOCC1 ZINC000887750046 1138779627 /nfs/dbraw/zinc/77/96/27/1138779627.db2.gz ZMJJSZPMFBWXLH-MRXNPFEDSA-N 1 2 343.471 3.700 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000265247803 1138781490 /nfs/dbraw/zinc/78/14/90/1138781490.db2.gz NMRYSESKKCTGAH-DNVCBOLYSA-N 1 2 326.440 3.565 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)[nH]c2c1 ZINC000338200760 1138785251 /nfs/dbraw/zinc/78/52/51/1138785251.db2.gz ODTFWOZZNIKQIV-IBGZPJMESA-N 1 2 343.434 3.735 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)nn1 ZINC000338265343 1138806967 /nfs/dbraw/zinc/80/69/67/1138806967.db2.gz IKMMWUPZJUZQMO-KRWDZBQOSA-N 1 2 343.477 3.756 20 0 EHADLO COc1ccc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)nn1 ZINC000338265343 1138806971 /nfs/dbraw/zinc/80/69/71/1138806971.db2.gz IKMMWUPZJUZQMO-KRWDZBQOSA-N 1 2 343.477 3.756 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000265331021 1138814800 /nfs/dbraw/zinc/81/48/00/1138814800.db2.gz TVINZESPFJYLQQ-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000265331021 1138814806 /nfs/dbraw/zinc/81/48/06/1138814806.db2.gz TVINZESPFJYLQQ-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000338394525 1138885326 /nfs/dbraw/zinc/88/53/26/1138885326.db2.gz VHTFKONAZFXHOT-UHFFFAOYSA-N 1 2 329.469 3.537 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc2[nH]ncc21 ZINC000338395636 1138886852 /nfs/dbraw/zinc/88/68/52/1138886852.db2.gz RAWXAPYSPHVXBR-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3cc(C)ccc3C)CCC2)n1 ZINC000265504087 1138932253 /nfs/dbraw/zinc/93/22/53/1138932253.db2.gz PTKUBWKJNZJUNQ-UHFFFAOYSA-N 1 2 329.469 3.676 20 0 EHADLO O=C(NCC1CC(c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338498832 1138943303 /nfs/dbraw/zinc/94/33/03/1138943303.db2.gz FXWKKRAZKPWWHK-UHFFFAOYSA-N 1 2 331.419 3.796 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150867173 1138989037 /nfs/dbraw/zinc/98/90/37/1138989037.db2.gz SWVLDKIVFHHTKA-HUUCEWRRSA-N 1 2 349.438 3.638 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137260340 1139303171 /nfs/dbraw/zinc/30/31/71/1139303171.db2.gz NYEVLVBZSRAOFK-CQSZACIVSA-N 1 2 341.835 3.875 20 0 EHADLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001137260340 1139303178 /nfs/dbraw/zinc/30/31/78/1139303178.db2.gz NYEVLVBZSRAOFK-CQSZACIVSA-N 1 2 341.835 3.875 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255300 1139332065 /nfs/dbraw/zinc/33/20/65/1139332065.db2.gz QRHLHPCHGNXQKX-NXHRZFHOSA-N 1 2 326.444 3.597 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1nccs1 ZINC000174062959 1139397816 /nfs/dbraw/zinc/39/78/16/1139397816.db2.gz IIPRVDFEXAAKNA-AAEUAGOBSA-N 1 2 335.860 3.643 20 0 EHADLO CCCCn1c(SCc2ncc(C)o2)nnc1[C@H](CC)[NH+](C)C ZINC000174112938 1139400316 /nfs/dbraw/zinc/40/03/16/1139400316.db2.gz ZMUJKFPVBQJGFT-ZDUSSCGKSA-N 1 2 337.493 3.680 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1nccs1 ZINC000175024427 1139458272 /nfs/dbraw/zinc/45/82/72/1139458272.db2.gz PVIKPQNWZAPVOT-IUCAKERBSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000175036143 1139459256 /nfs/dbraw/zinc/45/92/56/1139459256.db2.gz WCDCRVLXFBVEIB-HNNXBMFYSA-N 1 2 341.455 3.783 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1Cl ZINC000175202947 1139471859 /nfs/dbraw/zinc/47/18/59/1139471859.db2.gz IQDDJVMQXDOTHN-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO CCC(C)(C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735650 1139514820 /nfs/dbraw/zinc/51/48/20/1139514820.db2.gz ADKCORYMNXKADV-GASCZTMLSA-N 1 2 333.476 3.606 20 0 EHADLO CCC(C)(C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735650 1139514823 /nfs/dbraw/zinc/51/48/23/1139514823.db2.gz ADKCORYMNXKADV-GASCZTMLSA-N 1 2 333.476 3.606 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H](C)C[C@H]2CCOC2)c2ccc(Cl)cc2)no1 ZINC000777304253 1139543755 /nfs/dbraw/zinc/54/37/55/1139543755.db2.gz PGFHNCZFFFIPTM-NORZTCDRSA-N 1 2 335.835 3.526 20 0 EHADLO C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000176258420 1139548250 /nfs/dbraw/zinc/54/82/50/1139548250.db2.gz ABUGCDDQOJTSNZ-GFCCVEGCSA-N 1 2 337.876 3.909 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780306 1139640665 /nfs/dbraw/zinc/64/06/65/1139640665.db2.gz YHHLIEHDESJJAE-HNNXBMFYSA-N 1 2 340.452 3.615 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177800138 1139642772 /nfs/dbraw/zinc/64/27/72/1139642772.db2.gz MWVZAMIHYOMUFZ-WHWKNOJMSA-N 1 2 349.356 3.606 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000178012614 1139662431 /nfs/dbraw/zinc/66/24/31/1139662431.db2.gz FHLAMDZRYHNBTJ-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000178012614 1139662436 /nfs/dbraw/zinc/66/24/36/1139662436.db2.gz FHLAMDZRYHNBTJ-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO O=C(N[C@H]1CC=CCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178403517 1139692461 /nfs/dbraw/zinc/69/24/61/1139692461.db2.gz JPEZDIHFPMFEAB-WDSOQIARSA-N 1 2 336.439 3.520 20 0 EHADLO O=C(N[C@H]1CC=CCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178403530 1139692501 /nfs/dbraw/zinc/69/25/01/1139692501.db2.gz JPEZDIHFPMFEAB-UHOSZYNNSA-N 1 2 336.439 3.520 20 0 EHADLO O=C1CCCN1C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000179564167 1139764966 /nfs/dbraw/zinc/76/49/66/1139764966.db2.gz FELVXAQPWXFKKW-SFHVURJKSA-N 1 2 346.833 3.932 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000179570795 1139765608 /nfs/dbraw/zinc/76/56/08/1139765608.db2.gz HFOBBKRDRMHXAO-IBGZPJMESA-N 1 2 338.455 3.616 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179839441 1139787452 /nfs/dbraw/zinc/78/74/52/1139787452.db2.gz GVBGRWLNSSOYSA-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO Cc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180263769 1139821864 /nfs/dbraw/zinc/82/18/64/1139821864.db2.gz RVSWRFCZPKNSLS-SJORKVTESA-N 1 2 335.444 3.520 20 0 EHADLO Cc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180263769 1139821873 /nfs/dbraw/zinc/82/18/73/1139821873.db2.gz RVSWRFCZPKNSLS-SJORKVTESA-N 1 2 335.444 3.520 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cccc(C(=O)N(C)C)c2)c1C ZINC000180372453 1139829609 /nfs/dbraw/zinc/82/96/09/1139829609.db2.gz CHDWZYZTRTZRBJ-UHFFFAOYSA-N 1 2 344.480 3.842 20 0 EHADLO Cc1cc(Cl)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000181001628 1139878083 /nfs/dbraw/zinc/87/80/83/1139878083.db2.gz FJEWKGCCIUPFBZ-SJCJKPOMSA-N 1 2 331.847 3.877 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000181137722 1139887513 /nfs/dbraw/zinc/88/75/13/1139887513.db2.gz LGGRJCZRKAPVJW-NPMABZOXSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000181137722 1139887522 /nfs/dbraw/zinc/88/75/22/1139887522.db2.gz LGGRJCZRKAPVJW-NPMABZOXSA-N 1 2 328.437 3.758 20 0 EHADLO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)Cn1cc[nH+]c1 ZINC000181434746 1139906851 /nfs/dbraw/zinc/90/68/51/1139906851.db2.gz SVKJJDHZXRQEFH-SNVBAGLBSA-N 1 2 345.752 3.621 20 0 EHADLO CCC[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)cc1F ZINC000181659603 1139923017 /nfs/dbraw/zinc/92/30/17/1139923017.db2.gz NDVIVCFYSSFHBM-HNNXBMFYSA-N 1 2 349.406 3.665 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(CC(C)(C)C)o2)n1-c1ccccc1 ZINC000181776657 1139930050 /nfs/dbraw/zinc/93/00/50/1139930050.db2.gz JEEFVCOQACTDGE-UHFFFAOYSA-N 1 2 325.416 3.764 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000182112890 1139951404 /nfs/dbraw/zinc/95/14/04/1139951404.db2.gz WROAXMLIYOTXPB-SFHVURJKSA-N 1 2 326.444 3.504 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182314325 1139964738 /nfs/dbraw/zinc/96/47/38/1139964738.db2.gz INGUEEHIPLOFBB-CABCVRRESA-N 1 2 348.454 3.918 20 0 EHADLO COc1ccc([C@@H](CCO)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000182388830 1139969378 /nfs/dbraw/zinc/96/93/78/1139969378.db2.gz CTLPOIGKGPGBII-MRXNPFEDSA-N 1 2 344.436 3.625 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182843595 1139996939 /nfs/dbraw/zinc/99/69/39/1139996939.db2.gz NQJSTISESPOGSY-LLVKDONJSA-N 1 2 330.379 3.504 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182843595 1139996942 /nfs/dbraw/zinc/99/69/42/1139996942.db2.gz NQJSTISESPOGSY-LLVKDONJSA-N 1 2 330.379 3.504 20 0 EHADLO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000183126761 1140015308 /nfs/dbraw/zinc/01/53/08/1140015308.db2.gz PYERHKVEDSZNCW-SVLHDBBDSA-N 1 2 328.437 3.598 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000184204269 1140087329 /nfs/dbraw/zinc/08/73/29/1140087329.db2.gz RMUUCOLAKXVSQL-KRWDZBQOSA-N 1 2 330.428 3.530 20 0 EHADLO CC(C)OCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000184478718 1140105027 /nfs/dbraw/zinc/10/50/27/1140105027.db2.gz BOIUGYQNJCHPAW-GOSISDBHSA-N 1 2 337.423 3.841 20 0 EHADLO OCC[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccco1 ZINC000184516603 1140106707 /nfs/dbraw/zinc/10/67/07/1140106707.db2.gz MYCXRULHUOQWSZ-CYBMUJFWSA-N 1 2 344.636 3.909 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccco1 ZINC000184590973 1140110379 /nfs/dbraw/zinc/11/03/79/1140110379.db2.gz HDMPJPAXMOUEBS-GFCCVEGCSA-N 1 2 343.210 3.502 20 0 EHADLO Cc1[nH+]ccn1CCCN(C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184682081 1140114778 /nfs/dbraw/zinc/11/47/78/1140114778.db2.gz GUNRLUKASVBNTF-UHFFFAOYSA-N 1 2 343.862 3.553 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cs1 ZINC000184687900 1140115451 /nfs/dbraw/zinc/11/54/51/1140115451.db2.gz GTXCINAGVRZDAC-AWEZNQCLSA-N 1 2 331.485 3.920 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cncc(Br)c2)cs1 ZINC000184712922 1140116863 /nfs/dbraw/zinc/11/68/63/1140116863.db2.gz FYQUYOAJUAOOCH-VIFPVBQESA-N 1 2 326.263 3.714 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C)c1ccc(C)o1 ZINC000184761619 1140119308 /nfs/dbraw/zinc/11/93/08/1140119308.db2.gz JKBQLJNRBJFKSA-RDJZCZTQSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)o1 ZINC000184775701 1140120194 /nfs/dbraw/zinc/12/01/94/1140120194.db2.gz HGHADYCFABUENS-CRAIPNDOSA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)o1 ZINC000184826649 1140121584 /nfs/dbraw/zinc/12/15/84/1140121584.db2.gz SGSLNEGBELGIHQ-MAUKXSAKSA-N 1 2 344.455 3.763 20 0 EHADLO COCc1noc(C[NH2+][C@H](Cc2ccccc2)c2sccc2C)n1 ZINC000184956174 1140127681 /nfs/dbraw/zinc/12/76/81/1140127681.db2.gz CKTMZKWOIWDXHR-OAHLLOKOSA-N 1 2 343.452 3.660 20 0 EHADLO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000185619984 1140159204 /nfs/dbraw/zinc/15/92/04/1140159204.db2.gz DGAJDYMJFJPKCV-LPHOPBHVSA-N 1 2 340.471 3.628 20 0 EHADLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC000186171997 1140190205 /nfs/dbraw/zinc/19/02/05/1140190205.db2.gz GIVITDQHUIIWPX-UHFFFAOYSA-N 1 2 343.398 3.635 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(Cc2cccc(F)c2)CCC1 ZINC000186224814 1140192642 /nfs/dbraw/zinc/19/26/42/1140192642.db2.gz WBYRMUBRDMDCQX-UHFFFAOYSA-N 1 2 341.430 3.599 20 0 EHADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1C ZINC000186433992 1140203735 /nfs/dbraw/zinc/20/37/35/1140203735.db2.gz HXDHDQKVKFCKNI-MRXNPFEDSA-N 1 2 336.439 3.851 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(OC(F)F)cc2)no1 ZINC000186431726 1140204172 /nfs/dbraw/zinc/20/41/72/1140204172.db2.gz CSCKXEIQEJJZJC-UHFFFAOYSA-N 1 2 340.370 3.881 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000187050132 1140234645 /nfs/dbraw/zinc/23/46/45/1140234645.db2.gz WBGDAGXFMNIOAT-DYVFJYSZSA-N 1 2 346.862 3.638 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000187050092 1140234656 /nfs/dbraw/zinc/23/46/56/1140234656.db2.gz WBGDAGXFMNIOAT-CXAGYDPISA-N 1 2 346.862 3.638 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C ZINC000187191615 1140243496 /nfs/dbraw/zinc/24/34/96/1140243496.db2.gz PRAVVEJVHVUAHA-AWEZNQCLSA-N 1 2 337.423 3.826 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187606928 1140264082 /nfs/dbraw/zinc/26/40/82/1140264082.db2.gz JHIXRJXXZZKCAY-UHFFFAOYSA-N 1 2 334.423 3.577 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)cc1 ZINC000188488986 1140298540 /nfs/dbraw/zinc/29/85/40/1140298540.db2.gz GAAMDACUQOJWPD-LJQANCHMSA-N 1 2 341.455 3.505 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)C(C)C ZINC000189673652 1140358236 /nfs/dbraw/zinc/35/82/36/1140358236.db2.gz GRTWVTPWQIMMOV-RDJZCZTQSA-N 1 2 342.491 3.930 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000190399413 1140401467 /nfs/dbraw/zinc/40/14/67/1140401467.db2.gz KRQPLYXVOVJDRL-ZDUSSCGKSA-N 1 2 333.444 3.563 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000190399413 1140401472 /nfs/dbraw/zinc/40/14/72/1140401472.db2.gz KRQPLYXVOVJDRL-ZDUSSCGKSA-N 1 2 333.444 3.563 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)ccc1F ZINC000190436803 1140404826 /nfs/dbraw/zinc/40/48/26/1140404826.db2.gz PJAKEZBIHXCHLR-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000190535572 1140408347 /nfs/dbraw/zinc/40/83/47/1140408347.db2.gz NFZXWVADJRZOTP-MRXNPFEDSA-N 1 2 343.496 3.614 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000190535572 1140408352 /nfs/dbraw/zinc/40/83/52/1140408352.db2.gz NFZXWVADJRZOTP-MRXNPFEDSA-N 1 2 343.496 3.614 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000192336701 1140524073 /nfs/dbraw/zinc/52/40/73/1140524073.db2.gz JUWVHSRFCQYPPF-QGZVFWFLSA-N 1 2 342.487 3.937 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763055 1140549416 /nfs/dbraw/zinc/54/94/16/1140549416.db2.gz GJKWBVAMDZZNHE-OLZOCXBDSA-N 1 2 345.418 3.830 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000193056891 1140562501 /nfs/dbraw/zinc/56/25/01/1140562501.db2.gz MNMXKNYHVHIKQL-UHFFFAOYSA-N 1 2 345.874 3.982 20 0 EHADLO CCCOc1cccc2c(N3CCC(OCCOC)CC3)cc[nH+]c12 ZINC000194718032 1140619893 /nfs/dbraw/zinc/61/98/93/1140619893.db2.gz LHMZTGZYKVELDE-UHFFFAOYSA-N 1 2 344.455 3.655 20 0 EHADLO CC(C)c1ccc(OCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195006395 1140627938 /nfs/dbraw/zinc/62/79/38/1140627938.db2.gz NYMOTHBDZVQWKE-LJQANCHMSA-N 1 2 336.439 3.686 20 0 EHADLO CC1CCN(C(=O)c2ccc(NCc3cccc4[nH+]ccn43)cc2)CC1 ZINC000195140781 1140632692 /nfs/dbraw/zinc/63/26/92/1140632692.db2.gz AVRPACBVTMEPGQ-UHFFFAOYSA-N 1 2 348.450 3.819 20 0 EHADLO Cc1c(Cl)cccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000195326573 1140636275 /nfs/dbraw/zinc/63/62/75/1140636275.db2.gz WAWRDECOOMBKGM-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000266103543 1140641375 /nfs/dbraw/zinc/64/13/75/1140641375.db2.gz LIXURKMXBDDFTF-CQSZACIVSA-N 1 2 331.847 3.847 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C)cc3)CCCC2)no1 ZINC000266146106 1140646779 /nfs/dbraw/zinc/64/67/79/1140646779.db2.gz VQFBPYMKSYUSPG-UHFFFAOYSA-N 1 2 342.487 3.779 20 0 EHADLO COCc1nc(C[NH2+]Cc2c(OC)ccc3ccccc32)cs1 ZINC000266208214 1140655380 /nfs/dbraw/zinc/65/53/80/1140655380.db2.gz NFUXFGNNRZMIFF-UHFFFAOYSA-N 1 2 328.437 3.741 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000266730537 1140719282 /nfs/dbraw/zinc/71/92/82/1140719282.db2.gz KTWKWRRLSJMERI-FUHWJXTLSA-N 1 2 344.503 3.518 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2C[C@H](C)CC2(C)C)c1)[NH+]1CCOCC1 ZINC000266914877 1140737339 /nfs/dbraw/zinc/73/73/39/1140737339.db2.gz LBILHLVWQCDMQC-CVEARBPZSA-N 1 2 345.487 3.732 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266951006 1140742370 /nfs/dbraw/zinc/74/23/70/1140742370.db2.gz GTKFVFKLHYUSQM-UHFFFAOYSA-N 1 2 346.406 3.748 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000267042366 1140753176 /nfs/dbraw/zinc/75/31/76/1140753176.db2.gz HSFGJYCQHMEHJK-CXAGYDPISA-N 1 2 347.256 3.979 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000267042366 1140753179 /nfs/dbraw/zinc/75/31/79/1140753179.db2.gz HSFGJYCQHMEHJK-CXAGYDPISA-N 1 2 347.256 3.979 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267164869 1140764518 /nfs/dbraw/zinc/76/45/18/1140764518.db2.gz RJYRMQMBBISEFC-UHFFFAOYSA-N 1 2 337.379 3.815 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c(C)s1 ZINC000267271127 1140774006 /nfs/dbraw/zinc/77/40/06/1140774006.db2.gz ZPAPUCLQODCHCF-UKRRQHHQSA-N 1 2 346.500 3.537 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c(C)s1 ZINC000267271127 1140774010 /nfs/dbraw/zinc/77/40/10/1140774010.db2.gz ZPAPUCLQODCHCF-UKRRQHHQSA-N 1 2 346.500 3.537 20 0 EHADLO c1nc(N2CC[NH+](Cc3ccccn3)CC2)sc1-c1ccccc1 ZINC000267376409 1140784051 /nfs/dbraw/zinc/78/40/51/1140784051.db2.gz KWSOLJBLMFVKSU-UHFFFAOYSA-N 1 2 336.464 3.527 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(Br)s2)cs1 ZINC000267605658 1140809700 /nfs/dbraw/zinc/80/97/00/1140809700.db2.gz GEQDQKFOCLPWOH-QMMMGPOBSA-N 1 2 347.303 3.964 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268026213 1140870022 /nfs/dbraw/zinc/87/00/22/1140870022.db2.gz KXHWICXEQVZBPF-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268026213 1140870032 /nfs/dbraw/zinc/87/00/32/1140870032.db2.gz KXHWICXEQVZBPF-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000268129954 1140887968 /nfs/dbraw/zinc/88/79/68/1140887968.db2.gz OURAMUZEJFCYKC-QGZVFWFLSA-N 1 2 342.489 3.963 20 0 EHADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000268129954 1140887979 /nfs/dbraw/zinc/88/79/79/1140887979.db2.gz OURAMUZEJFCYKC-QGZVFWFLSA-N 1 2 342.489 3.963 20 0 EHADLO CC(C)CC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000268252668 1140910141 /nfs/dbraw/zinc/91/01/41/1140910141.db2.gz CCOTZIZWWVYLRI-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO Cc1noc(C)c1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000268531536 1140951828 /nfs/dbraw/zinc/95/18/28/1140951828.db2.gz JAJJAUFRHXKLBW-UHFFFAOYSA-N 1 2 333.407 3.670 20 0 EHADLO Cc1noc(C)c1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000268531536 1140951832 /nfs/dbraw/zinc/95/18/32/1140951832.db2.gz JAJJAUFRHXKLBW-UHFFFAOYSA-N 1 2 333.407 3.670 20 0 EHADLO CCC[C@H](CCc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269027178 1141050120 /nfs/dbraw/zinc/05/01/20/1141050120.db2.gz RJJOWIKLSKOQNC-LJQANCHMSA-N 1 2 342.487 3.716 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cs1 ZINC000269130697 1141069112 /nfs/dbraw/zinc/06/91/12/1141069112.db2.gz ZLEAKXGWFYOIDJ-NHYWBVRUSA-N 1 2 336.432 3.993 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000269136366 1141070357 /nfs/dbraw/zinc/07/03/57/1141070357.db2.gz RSTNWJNZACINHV-RHSMWYFYSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000269136366 1141070365 /nfs/dbraw/zinc/07/03/65/1141070365.db2.gz RSTNWJNZACINHV-RHSMWYFYSA-N 1 2 329.396 3.509 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000270401209 1141218793 /nfs/dbraw/zinc/21/87/93/1141218793.db2.gz CPNWLMRYBIGSDT-UHFFFAOYSA-N 1 2 345.446 3.865 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000270740246 1141264478 /nfs/dbraw/zinc/26/44/78/1141264478.db2.gz XFSIINLLPUKHKQ-SJLPKXTDSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000270740246 1141264483 /nfs/dbraw/zinc/26/44/83/1141264483.db2.gz XFSIINLLPUKHKQ-SJLPKXTDSA-N 1 2 348.368 3.588 20 0 EHADLO Clc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc(C2CC2)n1 ZINC000271000885 1141292848 /nfs/dbraw/zinc/29/28/48/1141292848.db2.gz YLKGELOQTLAALH-UHFFFAOYSA-N 1 2 329.835 3.615 20 0 EHADLO OCC1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000271038502 1141298699 /nfs/dbraw/zinc/29/86/99/1141298699.db2.gz LBIKFNBVVBMHQY-UHFFFAOYSA-N 1 2 341.295 3.929 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000271115177 1141309086 /nfs/dbraw/zinc/30/90/86/1141309086.db2.gz VSSJCTLFJAFPBG-IBGZPJMESA-N 1 2 345.462 3.968 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000271115177 1141309094 /nfs/dbraw/zinc/30/90/94/1141309094.db2.gz VSSJCTLFJAFPBG-IBGZPJMESA-N 1 2 345.462 3.968 20 0 EHADLO CC(C)c1nc(C2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)no1 ZINC000271177982 1141318390 /nfs/dbraw/zinc/31/83/90/1141318390.db2.gz NWOYGSUEAUKAHC-UHFFFAOYSA-N 1 2 339.361 3.990 20 0 EHADLO O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000271298328 1141342064 /nfs/dbraw/zinc/34/20/64/1141342064.db2.gz UEKWYQQAPKEIGH-MOPGFXCFSA-N 1 2 337.423 3.629 20 0 EHADLO Cc1n[nH]c(C)c1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC000274304567 1141495226 /nfs/dbraw/zinc/49/52/26/1141495226.db2.gz VAGXSQQSZACBOV-UHFFFAOYSA-N 1 2 346.438 3.626 20 0 EHADLO COc1ccc(S[C@@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000339118787 1141502425 /nfs/dbraw/zinc/50/24/25/1141502425.db2.gz ZYABEWDSWAIUMO-ZDUSSCGKSA-N 1 2 341.436 3.771 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339163080 1141514569 /nfs/dbraw/zinc/51/45/69/1141514569.db2.gz AIXDXPPKVMVRJB-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339163080 1141514572 /nfs/dbraw/zinc/51/45/72/1141514572.db2.gz AIXDXPPKVMVRJB-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339163079 1141514631 /nfs/dbraw/zinc/51/46/31/1141514631.db2.gz AIXDXPPKVMVRJB-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339163079 1141514634 /nfs/dbraw/zinc/51/46/34/1141514634.db2.gz AIXDXPPKVMVRJB-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1c(CNC(=O)CCc2c[nH+]cn2C)sc2ccc(Cl)cc12 ZINC000339164389 1141515230 /nfs/dbraw/zinc/51/52/30/1141515230.db2.gz MNFSWPRTCLLEPH-UHFFFAOYSA-N 1 2 347.871 3.846 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c[nH+]cn1C ZINC000339176731 1141518446 /nfs/dbraw/zinc/51/84/46/1141518446.db2.gz KTIYAKKVWPSTHK-INIZCTEOSA-N 1 2 345.512 3.657 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccsc2C)c2nccn2C)cc1 ZINC000339186652 1141522243 /nfs/dbraw/zinc/52/22/43/1141522243.db2.gz HZWFYZPKZGWRIT-QGZVFWFLSA-N 1 2 327.453 3.678 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000348871864 1141601144 /nfs/dbraw/zinc/60/11/44/1141601144.db2.gz YTWHGBOJRHGXHL-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000348871864 1141601147 /nfs/dbraw/zinc/60/11/47/1141601147.db2.gz YTWHGBOJRHGXHL-UHFFFAOYSA-N 1 2 343.423 3.584 20 0 EHADLO COCC[N@H+](Cc1cccnc1)Cc1cccc(OC)c1OC(C)C ZINC000348999805 1141620143 /nfs/dbraw/zinc/62/01/43/1141620143.db2.gz FHIQGQLMFGJHDT-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO COCC[N@@H+](Cc1cccnc1)Cc1cccc(OC)c1OC(C)C ZINC000348999805 1141620146 /nfs/dbraw/zinc/62/01/46/1141620146.db2.gz FHIQGQLMFGJHDT-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO COCC[N@H+](Cc1ccccn1)Cc1cccc(OC)c1OC(C)C ZINC000349036193 1141625595 /nfs/dbraw/zinc/62/55/95/1141625595.db2.gz NPBBTYVUSHVCQE-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO COCC[N@@H+](Cc1ccccn1)Cc1cccc(OC)c1OC(C)C ZINC000349036193 1141625599 /nfs/dbraw/zinc/62/55/99/1141625599.db2.gz NPBBTYVUSHVCQE-UHFFFAOYSA-N 1 2 344.455 3.526 20 0 EHADLO Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc12 ZINC000072058419 216000241 /nfs/dbraw/zinc/00/02/41/216000241.db2.gz HBCJCKKYOUPXEJ-UHFFFAOYSA-N 1 2 337.408 3.586 20 0 EHADLO Cc1cc2cc(NC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000195712993 241034936 /nfs/dbraw/zinc/03/49/36/241034936.db2.gz VJICXTXFQATDJL-DOXZYTNZSA-N 1 2 343.471 3.549 20 0 EHADLO Cc1cc(C)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(C)[nH+]1 ZINC000097040407 218927150 /nfs/dbraw/zinc/92/71/50/218927150.db2.gz IWOBZYOEMGNZBC-MRXNPFEDSA-N 1 2 337.423 3.537 20 0 EHADLO Cc1nc(NCc2cccc3c2CCOC3)c(Br)c(C)[nH+]1 ZINC000631509404 480129323 /nfs/dbraw/zinc/12/93/23/480129323.db2.gz SGUOWQQWCVEUFV-UHFFFAOYSA-N 1 2 348.244 3.541 20 0 EHADLO Cc1nc(N(C)C)nc(N[C@@H]2CCSc3ccc(Cl)cc32)[nH+]1 ZINC000532626015 477959731 /nfs/dbraw/zinc/95/97/31/477959731.db2.gz QIMVXKRBUGEKLL-GFCCVEGCSA-N 1 2 335.864 3.548 20 0 EHADLO Cc1nc(N[C@@H]2CCSc3ccc(Cl)cc32)nc(N(C)C)[nH+]1 ZINC000532626015 477959741 /nfs/dbraw/zinc/95/97/41/477959741.db2.gz QIMVXKRBUGEKLL-GFCCVEGCSA-N 1 2 335.864 3.548 20 0 EHADLO CN(C)[C@H](CNc1[nH+]c2ccccc2n1C)c1c(F)cccc1F ZINC000536503077 478253185 /nfs/dbraw/zinc/25/31/85/478253185.db2.gz VFYQYTGYNVYKRN-MRXNPFEDSA-N 1 2 330.382 3.566 20 0 EHADLO O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000833226744 604803463 /nfs/dbraw/zinc/80/34/63/604803463.db2.gz BYDHZGANKYWCQN-UHFFFAOYSA-N 1 2 349.434 3.739 20 0 EHADLO O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000833226744 604803467 /nfs/dbraw/zinc/80/34/67/604803467.db2.gz BYDHZGANKYWCQN-UHFFFAOYSA-N 1 2 349.434 3.739 20 0 EHADLO Fc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1-c1nn[nH]n1 ZINC000822766957 606979142 /nfs/dbraw/zinc/97/91/42/606979142.db2.gz QOWXMJSELQXSPE-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO Fc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1-c1nn[nH]n1 ZINC000822766957 606979144 /nfs/dbraw/zinc/97/91/44/606979144.db2.gz QOWXMJSELQXSPE-INIZCTEOSA-N 1 2 343.793 3.606 20 0 EHADLO CCCCc1nc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000825296636 608463985 /nfs/dbraw/zinc/46/39/85/608463985.db2.gz RBZMFYNVJOCBNV-LBPRGKRZSA-N 1 2 342.472 3.517 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)ccc1[NH+](C)C ZINC000826270660 609277207 /nfs/dbraw/zinc/27/72/07/609277207.db2.gz JXWIIUVFQQXROG-GFCCVEGCSA-N 1 2 340.406 3.553 20 0 EHADLO O=C([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC001595232078 949352857 /nfs/dbraw/zinc/35/28/57/949352857.db2.gz FKFIKZNQMFXVOQ-UXHICEINSA-N 1 2 347.418 3.600 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)n1 ZINC000649748232 1125467604 /nfs/dbraw/zinc/46/76/04/1125467604.db2.gz STGGIXQUUBZFIJ-OLZOCXBDSA-N 1 2 349.862 3.982 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)n1 ZINC000649748232 1125467606 /nfs/dbraw/zinc/46/76/06/1125467606.db2.gz STGGIXQUUBZFIJ-OLZOCXBDSA-N 1 2 349.862 3.982 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000649752592 1125475204 /nfs/dbraw/zinc/47/52/04/1125475204.db2.gz MKNABJVTNIRAAM-RBUKOAKNSA-N 1 2 342.483 3.592 20 0 EHADLO Cc1cn2cc(NC(=O)CCCOc3ccc(F)cc3F)ccc2[nH+]1 ZINC000339269722 1014135910 /nfs/dbraw/zinc/13/59/10/1014135910.db2.gz IPHDAMNKSXMAOI-UHFFFAOYSA-N 1 2 345.349 3.719 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cn(C)nc3C(F)F)[C@H](C)CO2)c1 ZINC000274509442 1014157457 /nfs/dbraw/zinc/15/74/57/1014157457.db2.gz UTOQKGBQFRWZLC-RHSMWYFYSA-N 1 2 349.425 3.937 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)[C@H](C)CO2)c1 ZINC000274509442 1014157463 /nfs/dbraw/zinc/15/74/63/1014157463.db2.gz UTOQKGBQFRWZLC-RHSMWYFYSA-N 1 2 349.425 3.937 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2conc2C)c2ccccc2OC)cc1 ZINC000339317258 1014210147 /nfs/dbraw/zinc/21/01/47/1014210147.db2.gz MHLQKRPTRZKACU-FQEVSTJZSA-N 1 2 338.407 3.879 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(C)ccc1OC ZINC000090232683 1014226169 /nfs/dbraw/zinc/22/61/69/1014226169.db2.gz KUVFUOILCYOZPW-IBGZPJMESA-N 1 2 336.439 3.825 20 0 EHADLO O=C(CCCc1c(F)cccc1F)NCCCCNc1cccc[nH+]1 ZINC000654731231 1014284558 /nfs/dbraw/zinc/28/45/58/1014284558.db2.gz DGWHBTZDCGIKJD-UHFFFAOYSA-N 1 2 347.409 3.691 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000339401966 1014355551 /nfs/dbraw/zinc/35/55/51/1014355551.db2.gz YTVOJZJFTPZIEQ-SFHVURJKSA-N 1 2 329.419 3.626 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000339427121 1014406485 /nfs/dbraw/zinc/40/64/85/1014406485.db2.gz KTZKSIOQSVFBSQ-INIZCTEOSA-N 1 2 332.492 3.696 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000339427126 1014406620 /nfs/dbraw/zinc/40/66/20/1014406620.db2.gz KTZKSIOQSVFBSQ-MRXNPFEDSA-N 1 2 332.492 3.696 20 0 EHADLO C[C@H](c1nc(C(C)(C)c2ccc(OC(F)(F)F)cc2)no1)[NH+](C)C ZINC000924036452 1014422233 /nfs/dbraw/zinc/42/22/33/1014422233.db2.gz HOJMJLNXOUUFSV-SNVBAGLBSA-N 1 2 343.349 3.917 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc2cnncc21)c1cccc(Cl)c1 ZINC000683131724 1014437597 /nfs/dbraw/zinc/43/75/97/1014437597.db2.gz PHIOMEPELACKIY-QGZVFWFLSA-N 1 2 340.814 3.525 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000654825377 1014442890 /nfs/dbraw/zinc/44/28/90/1014442890.db2.gz ZKPWHOMUKBIZNC-KBAYOESNSA-N 1 2 347.503 3.565 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000654825377 1014442906 /nfs/dbraw/zinc/44/29/06/1014442906.db2.gz ZKPWHOMUKBIZNC-KBAYOESNSA-N 1 2 347.503 3.565 20 0 EHADLO Fc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC000584295076 1032091942 /nfs/dbraw/zinc/09/19/42/1032091942.db2.gz PNNMXTOAFGBPIU-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC000584295076 1032091962 /nfs/dbraw/zinc/09/19/62/1032091962.db2.gz PNNMXTOAFGBPIU-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000654847236 1014479052 /nfs/dbraw/zinc/47/90/52/1014479052.db2.gz DXTCMOCBBCQMTR-CPUCHLNUSA-N 1 2 329.444 3.744 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000654847236 1014479062 /nfs/dbraw/zinc/47/90/62/1014479062.db2.gz DXTCMOCBBCQMTR-CPUCHLNUSA-N 1 2 329.444 3.744 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000182397168 1032094126 /nfs/dbraw/zinc/09/41/26/1032094126.db2.gz GHJIBQZYRZACLR-MAUKXSAKSA-N 1 2 326.444 3.523 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000339523070 1014688859 /nfs/dbraw/zinc/68/88/59/1014688859.db2.gz DSLCPGPONFZHHD-JTQLQIEISA-N 1 2 339.226 3.748 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000430194905 1014801471 /nfs/dbraw/zinc/80/14/71/1014801471.db2.gz LGDRCCXGMDLCGW-INIZCTEOSA-N 1 2 337.460 3.502 20 0 EHADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000430194905 1014801485 /nfs/dbraw/zinc/80/14/85/1014801485.db2.gz LGDRCCXGMDLCGW-INIZCTEOSA-N 1 2 337.460 3.502 20 0 EHADLO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274762072 1014986464 /nfs/dbraw/zinc/98/64/64/1014986464.db2.gz DXNIGAXFRGEQFN-GPMSIDNRSA-N 1 2 345.487 3.732 20 0 EHADLO C/C(=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000067161457 1015200869 /nfs/dbraw/zinc/20/08/69/1015200869.db2.gz PEINTJKQYIJSEC-WJDWOHSUSA-N 1 2 349.409 3.790 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000274800196 1015231717 /nfs/dbraw/zinc/23/17/17/1015231717.db2.gz QTNGCGHIERYASL-DLBZAZTESA-N 1 2 345.487 3.734 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000254967902 1015262068 /nfs/dbraw/zinc/26/20/68/1015262068.db2.gz CRNXEDJFBQURIM-RAXLEYEMSA-N 1 2 335.432 3.795 20 0 EHADLO Cc1cnc(F)c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001266300193 1015322262 /nfs/dbraw/zinc/32/22/62/1015322262.db2.gz HRJYQVGRLKSLAJ-UHFFFAOYSA-N 1 2 348.381 3.697 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3[C@@H](C)Cc4cc(F)ccc4[C@@H]3C)ccn12 ZINC001266303143 1015358460 /nfs/dbraw/zinc/35/84/60/1015358460.db2.gz INCWPMSQKYEZJZ-JSGCOSHPSA-N 1 2 337.398 3.930 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000339624755 1015407052 /nfs/dbraw/zinc/40/70/52/1015407052.db2.gz OCILHULMNBCLQX-GOEBONIOSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)ccc1F ZINC000153503981 1125505851 /nfs/dbraw/zinc/50/58/51/1125505851.db2.gz AWWRWURHNOYZPE-LBPRGKRZSA-N 1 2 325.387 3.937 20 0 EHADLO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000339697531 1015555499 /nfs/dbraw/zinc/55/54/99/1015555499.db2.gz KPGRKWULKOCOJW-SFHVURJKSA-N 1 2 343.496 3.864 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000339864284 1015785842 /nfs/dbraw/zinc/78/58/42/1015785842.db2.gz BQVKKUHZPFATKX-ZDUSSCGKSA-N 1 2 341.904 3.690 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000339864284 1015785847 /nfs/dbraw/zinc/78/58/47/1015785847.db2.gz BQVKKUHZPFATKX-ZDUSSCGKSA-N 1 2 341.904 3.690 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc(C(=O)[O-])cs1 ZINC001593305556 994764097 /nfs/dbraw/zinc/76/40/97/994764097.db2.gz WZKFCKMFBGROKL-ZDUSSCGKSA-N 1 2 341.436 3.542 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000180482156 1015957421 /nfs/dbraw/zinc/95/74/21/1015957421.db2.gz IVNYNRXUBGKLNP-CQSZACIVSA-N 1 2 339.361 3.969 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc[nH]c2C2CC2)c(C)c1 ZINC000339958107 1016069011 /nfs/dbraw/zinc/06/90/11/1016069011.db2.gz DDWWYMKTQWJYMY-LJQANCHMSA-N 1 2 348.450 3.877 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461555 1016081449 /nfs/dbraw/zinc/08/14/49/1016081449.db2.gz JAFLUWLELNWEAG-GFCCVEGCSA-N 1 2 325.437 3.588 20 0 EHADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461555 1016081459 /nfs/dbraw/zinc/08/14/59/1016081459.db2.gz JAFLUWLELNWEAG-GFCCVEGCSA-N 1 2 325.437 3.588 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)s1 ZINC000275268090 1016227102 /nfs/dbraw/zinc/22/71/02/1016227102.db2.gz BHLAALAWXXNGHY-ZETCQYMHSA-N 1 2 330.226 3.599 20 0 EHADLO C[C@H]1CCC[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433823 1016248233 /nfs/dbraw/zinc/24/82/33/1016248233.db2.gz ZPCPFIIRKOACEJ-IRXDYDNUSA-N 1 2 340.471 3.652 20 0 EHADLO CCCc1cc(N2CCO[C@](C)(c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC001167140262 1016284539 /nfs/dbraw/zinc/28/45/39/1016284539.db2.gz JLRHRBLEAVHIEL-IBGZPJMESA-N 1 2 329.419 3.629 20 0 EHADLO Cc1ccccc1OCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000340116399 1016342627 /nfs/dbraw/zinc/34/26/27/1016342627.db2.gz MRKVQVUQWKDDKK-UHFFFAOYSA-N 1 2 345.406 3.615 20 0 EHADLO O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177644832 1016412879 /nfs/dbraw/zinc/41/28/79/1016412879.db2.gz DNNUFPACHUWNAX-HNNXBMFYSA-N 1 2 337.345 3.723 20 0 EHADLO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccccc1F ZINC001167186304 1016513480 /nfs/dbraw/zinc/51/34/80/1016513480.db2.gz DQFYOXFZSSAVBJ-QGZVFWFLSA-N 1 2 327.399 3.690 20 0 EHADLO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccccc1F ZINC001167186304 1016513536 /nfs/dbraw/zinc/51/35/36/1016513536.db2.gz DQFYOXFZSSAVBJ-QGZVFWFLSA-N 1 2 327.399 3.690 20 0 EHADLO CCc1[nH+]ccc(C)c1Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001203201575 1016637700 /nfs/dbraw/zinc/63/77/00/1016637700.db2.gz QNRGFDMGJNQABU-UHFFFAOYSA-N 1 2 347.484 3.773 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340202000 1016691011 /nfs/dbraw/zinc/69/10/11/1016691011.db2.gz JJXZJJPNRJWACM-XJKSGUPXSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340202000 1016691017 /nfs/dbraw/zinc/69/10/17/1016691017.db2.gz JJXZJJPNRJWACM-XJKSGUPXSA-N 1 2 340.345 3.619 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H]2CCCC[C@H]12 ZINC000782932621 1016758482 /nfs/dbraw/zinc/75/84/82/1016758482.db2.gz BGPQJVIZHKBCRS-UTUOFQBUSA-N 1 2 330.448 3.747 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H]2CCCC[C@H]12 ZINC000782932621 1016758496 /nfs/dbraw/zinc/75/84/96/1016758496.db2.gz BGPQJVIZHKBCRS-UTUOFQBUSA-N 1 2 330.448 3.747 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000659531745 1016800401 /nfs/dbraw/zinc/80/04/01/1016800401.db2.gz BBJBAWOGNAEBMV-WMZOPIPTSA-N 1 2 327.472 3.892 20 0 EHADLO OCc1ccc(C[NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)o1 ZINC000547819673 1016810599 /nfs/dbraw/zinc/81/05/99/1016810599.db2.gz CPVONYVRFZBXBM-UHFFFAOYSA-N 1 2 340.404 3.931 20 0 EHADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000706017159 1016840127 /nfs/dbraw/zinc/84/01/27/1016840127.db2.gz RKZHIPPTWVESHN-BZNIZROVSA-N 1 2 345.349 3.620 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)o1 ZINC000007975670 1016863247 /nfs/dbraw/zinc/86/32/47/1016863247.db2.gz WAARTMZLIUQPRT-UHFFFAOYSA-N 1 2 348.446 3.926 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)o1 ZINC000007975670 1016863260 /nfs/dbraw/zinc/86/32/60/1016863260.db2.gz WAARTMZLIUQPRT-UHFFFAOYSA-N 1 2 348.446 3.926 20 0 EHADLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1Cl ZINC000168832960 1016894589 /nfs/dbraw/zinc/89/45/89/1016894589.db2.gz NFWQMFZOJRMRDN-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO CC(C)c1csc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000376624669 1016955731 /nfs/dbraw/zinc/95/57/31/1016955731.db2.gz XUHNXHOSNKSRCV-LBPRGKRZSA-N 1 2 346.500 3.534 20 0 EHADLO CC(C)c1csc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000376624669 1016955736 /nfs/dbraw/zinc/95/57/36/1016955736.db2.gz XUHNXHOSNKSRCV-LBPRGKRZSA-N 1 2 346.500 3.534 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1OC(F)F)C2 ZINC000376626347 1016956216 /nfs/dbraw/zinc/95/62/16/1016956216.db2.gz KAEBJXZLGMRLFG-NSHDSACASA-N 1 2 349.381 3.878 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1OC(F)F)CC2 ZINC000376626347 1016956227 /nfs/dbraw/zinc/95/62/27/1016956227.db2.gz KAEBJXZLGMRLFG-NSHDSACASA-N 1 2 349.381 3.878 20 0 EHADLO c1cc(CN2CCOCC2)[nH+]c(N[C@H]2CCCCC23CCCC3)c1 ZINC000340344802 1016985975 /nfs/dbraw/zinc/98/59/75/1016985975.db2.gz FXMDSOUSJBQMMG-SFHVURJKSA-N 1 2 329.488 3.829 20 0 EHADLO CC(C)(C)c1ncc(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000120960264 1017045690 /nfs/dbraw/zinc/04/56/90/1017045690.db2.gz NKJJYFAZDHFZAU-UHFFFAOYSA-N 1 2 345.512 3.885 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)sn1 ZINC000659821500 1017064328 /nfs/dbraw/zinc/06/43/28/1017064328.db2.gz MYNSNJBBRRMMME-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)sn1 ZINC000659821500 1017064341 /nfs/dbraw/zinc/06/43/41/1017064341.db2.gz MYNSNJBBRRMMME-UHFFFAOYSA-N 1 2 332.347 3.682 20 0 EHADLO Cc1ccc2sc(C[NH+]3CCN(c4ccccc4O)CC3)nc2c1 ZINC000528350159 1032155764 /nfs/dbraw/zinc/15/57/64/1032155764.db2.gz RZRMRJDUVNTHLJ-UHFFFAOYSA-N 1 2 339.464 3.633 20 0 EHADLO CCC(C)(C)c1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000343751166 1032177304 /nfs/dbraw/zinc/17/73/04/1032177304.db2.gz OVTLKKKTOSWDAP-UHFFFAOYSA-N 1 2 328.460 3.578 20 0 EHADLO CC(C)n1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000528374141 1032178157 /nfs/dbraw/zinc/17/81/57/1032178157.db2.gz MDVZFTQKXZNAAC-KRWDZBQOSA-N 1 2 346.862 3.721 20 0 EHADLO CC(C)n1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000528374141 1032178161 /nfs/dbraw/zinc/17/81/61/1032178161.db2.gz MDVZFTQKXZNAAC-KRWDZBQOSA-N 1 2 346.862 3.721 20 0 EHADLO Cn1cc(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)cn1 ZINC000183713658 1032197037 /nfs/dbraw/zinc/19/70/37/1032197037.db2.gz KDEKPLAHMCBYAK-MRXNPFEDSA-N 1 2 346.228 3.655 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@H]1c1ccccc1 ZINC000528391441 1032216553 /nfs/dbraw/zinc/21/65/53/1032216553.db2.gz AFUWCWSAMXPJPM-SJLPKXTDSA-N 1 2 347.480 3.699 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC[C@H]1c1ccccc1 ZINC000528391441 1032216561 /nfs/dbraw/zinc/21/65/61/1032216561.db2.gz AFUWCWSAMXPJPM-SJLPKXTDSA-N 1 2 347.480 3.699 20 0 EHADLO CCn1ncnc1C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000459515689 1032220292 /nfs/dbraw/zinc/22/02/92/1032220292.db2.gz BMKDPAVMFLIICT-UHFFFAOYSA-N 1 2 336.439 3.572 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C(F)(F)F ZINC000528398152 1032225830 /nfs/dbraw/zinc/22/58/30/1032225830.db2.gz SZEKPUTXKMWORK-CYBMUJFWSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1cc(F)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(Cl)c1 ZINC000459518261 1032227401 /nfs/dbraw/zinc/22/74/01/1032227401.db2.gz SOXGIBDLHCOJCW-SUNYJGFJSA-N 1 2 341.854 3.946 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(Cl)c1 ZINC000459518261 1032227423 /nfs/dbraw/zinc/22/74/23/1032227423.db2.gz SOXGIBDLHCOJCW-SUNYJGFJSA-N 1 2 341.854 3.946 20 0 EHADLO CC(C)(O)c1ccc(-c2ccc(NCCCn3cc[nH+]c3)nc2)cc1 ZINC000904771756 1032244719 /nfs/dbraw/zinc/24/47/19/1032244719.db2.gz UDGPPSKRSFWXKV-UHFFFAOYSA-N 1 2 336.439 3.675 20 0 EHADLO O=C(Nc1ccc2nc(C(F)F)sc2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000584368318 1032250676 /nfs/dbraw/zinc/25/06/76/1032250676.db2.gz INVMMWLAAZDXNL-VIFPVBQESA-N 1 2 348.378 3.632 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1c(F)cccc1Cl ZINC000538276392 1032265226 /nfs/dbraw/zinc/26/52/26/1032265226.db2.gz QBXINFSNCZWMHY-OTTFEQOBSA-N 1 2 326.843 3.825 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ncc(Br)cn1 ZINC000459584647 1032284768 /nfs/dbraw/zinc/28/47/68/1032284768.db2.gz HUNNKMYZYIWRFV-LLVKDONJSA-N 1 2 332.245 3.967 20 0 EHADLO Cc1ccc(-c2[nH]nc(NC(=O)Nc3c(C)cc(C)[nH+]c3C)c2C)o1 ZINC000459587060 1032288113 /nfs/dbraw/zinc/28/81/13/1032288113.db2.gz URHSJRNSXHGMMT-UHFFFAOYSA-N 1 2 339.399 3.673 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000184379513 1032288257 /nfs/dbraw/zinc/28/82/57/1032288257.db2.gz UDFMVRAFOCMJBM-LBPRGKRZSA-N 1 2 347.509 3.601 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)nc2c1 ZINC000528436144 1032294286 /nfs/dbraw/zinc/29/42/86/1032294286.db2.gz KROLCLLSGIVONM-QMHKHESXSA-N 1 2 344.505 3.814 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2cnc(Cl)s2)c2ccc(F)cc2)cn1 ZINC000184602737 1032305862 /nfs/dbraw/zinc/30/58/62/1032305862.db2.gz POYCCWUVHHDWSI-AWEZNQCLSA-N 1 2 336.823 3.548 20 0 EHADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000459589346 1032309799 /nfs/dbraw/zinc/30/97/99/1032309799.db2.gz IEINLUXXARXCOH-UHFFFAOYSA-N 1 2 336.482 3.645 20 0 EHADLO COC1(C)C[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000459592660 1032313250 /nfs/dbraw/zinc/31/32/50/1032313250.db2.gz VFPNPCFZGVQYQB-UHFFFAOYSA-N 1 2 344.842 3.813 20 0 EHADLO Cc1nc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)sc1C ZINC000923905777 1032314866 /nfs/dbraw/zinc/31/48/66/1032314866.db2.gz XYHPOQKKWLKQHX-CYBMUJFWSA-N 1 2 331.445 3.566 20 0 EHADLO Clc1ccc(Br)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000459609904 1032326718 /nfs/dbraw/zinc/32/67/18/1032326718.db2.gz SBRFPBWLCWWPDV-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)no1 ZINC000538389255 1032334086 /nfs/dbraw/zinc/33/40/86/1032334086.db2.gz CEVQLNWMGLSWTR-HNNXBMFYSA-N 1 2 335.423 3.745 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000185011470 1032339197 /nfs/dbraw/zinc/33/91/97/1032339197.db2.gz QVPSLECVBWQYSB-UWVAXJGDSA-N 1 2 337.467 3.521 20 0 EHADLO COC(=O)c1cc([C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)oc1C ZINC000459627434 1032342734 /nfs/dbraw/zinc/34/27/34/1032342734.db2.gz BOPFNBBDMFAFLN-ZJUUUORDSA-N 1 2 334.441 3.732 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000081704009 1032345461 /nfs/dbraw/zinc/34/54/61/1032345461.db2.gz CRBSRMQVFCNGLI-UHFFFAOYSA-N 1 2 333.382 3.523 20 0 EHADLO CC(F)(F)CCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000905196003 1032368915 /nfs/dbraw/zinc/36/89/15/1032368915.db2.gz QRWSMRQVVRHVAN-JOCHJYFZSA-N 1 2 326.412 3.616 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000536872939 1032374457 /nfs/dbraw/zinc/37/44/57/1032374457.db2.gz XZNWXXIODQWYCU-ZUZCIYMTSA-N 1 2 343.320 3.950 20 0 EHADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000667083515 1032379115 /nfs/dbraw/zinc/37/91/15/1032379115.db2.gz CVJBDBSVUYWDDW-NUEKZKHPSA-N 1 2 337.423 3.880 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519797 1032396358 /nfs/dbraw/zinc/39/63/58/1032396358.db2.gz NSAPFCHZFWGCPP-FUHWJXTLSA-N 1 2 328.456 3.740 20 0 EHADLO O=C1[C@@H]([N@H+]2CC3(CCC3)[C@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519797 1032396361 /nfs/dbraw/zinc/39/63/61/1032396361.db2.gz NSAPFCHZFWGCPP-FUHWJXTLSA-N 1 2 328.456 3.740 20 0 EHADLO Cc1ccc2sc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000528506561 1032409989 /nfs/dbraw/zinc/40/99/89/1032409989.db2.gz FEEIQXDTWSPPMP-CYBMUJFWSA-N 1 2 332.860 3.902 20 0 EHADLO Cc1ccc2sc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000528506561 1032409994 /nfs/dbraw/zinc/40/99/94/1032409994.db2.gz FEEIQXDTWSPPMP-CYBMUJFWSA-N 1 2 332.860 3.902 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cccc(C2CCCC2)c1 ZINC000666138892 1032421505 /nfs/dbraw/zinc/42/15/05/1032421505.db2.gz BHPDTWMHMOCGON-UHFFFAOYSA-N 1 2 337.467 3.850 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000084739558 1032448664 /nfs/dbraw/zinc/44/86/64/1032448664.db2.gz UFFCYKRSJRGYOR-SNAWJCMRSA-N 1 2 345.446 3.960 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccnn1C1CCCC1 ZINC000449317424 1032450303 /nfs/dbraw/zinc/45/03/03/1032450303.db2.gz BZKFVGJRVGMTEA-UHFFFAOYSA-N 1 2 346.519 3.611 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccnn1C1CCCC1 ZINC000449317424 1032450306 /nfs/dbraw/zinc/45/03/06/1032450306.db2.gz BZKFVGJRVGMTEA-UHFFFAOYSA-N 1 2 346.519 3.611 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccn(C)n1 ZINC000459758081 1032450893 /nfs/dbraw/zinc/45/08/93/1032450893.db2.gz QNJOKZJLAFASNN-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO COCCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000528572356 1032473411 /nfs/dbraw/zinc/47/34/11/1032473411.db2.gz AVJKTDLPQGZZPV-UHFFFAOYSA-N 1 2 338.879 3.644 20 0 EHADLO COCc1nc(C[NH2+]Cc2cc3ccccc3cc2OC)cs1 ZINC000449335794 1032473102 /nfs/dbraw/zinc/47/31/02/1032473102.db2.gz LWEKNEZAMUBGDQ-UHFFFAOYSA-N 1 2 328.437 3.741 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000086992320 1032477554 /nfs/dbraw/zinc/47/75/54/1032477554.db2.gz JZOQSYLEABSYFK-KSSFIOAISA-N 1 2 344.434 3.641 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000528590533 1032494613 /nfs/dbraw/zinc/49/46/13/1032494613.db2.gz DBCDRQKVJNFHAX-QGZVFWFLSA-N 1 2 345.874 3.519 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000528590533 1032494620 /nfs/dbraw/zinc/49/46/20/1032494620.db2.gz DBCDRQKVJNFHAX-QGZVFWFLSA-N 1 2 345.874 3.519 20 0 EHADLO Nc1nc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH+]c2ccccc12 ZINC000089269108 1032522478 /nfs/dbraw/zinc/52/24/78/1032522478.db2.gz IRBVJVWCWADJFF-HZPDHXFCSA-N 1 2 340.814 3.808 20 0 EHADLO c1csc(-c2nc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)co2)c1 ZINC000537130706 1032528293 /nfs/dbraw/zinc/52/82/93/1032528293.db2.gz WVPZMDUZMIIVCK-UHFFFAOYSA-N 1 2 340.404 3.911 20 0 EHADLO Fc1ccc(OCc2nc(C[N@@H+]3CCCSCC3)cs2)cc1 ZINC000089983992 1032549204 /nfs/dbraw/zinc/54/92/04/1032549204.db2.gz TWHFKMQGRTXVOU-UHFFFAOYSA-N 1 2 338.473 3.800 20 0 EHADLO Fc1ccc(OCc2nc(C[N@H+]3CCCSCC3)cs2)cc1 ZINC000089983992 1032549213 /nfs/dbraw/zinc/54/92/13/1032549213.db2.gz TWHFKMQGRTXVOU-UHFFFAOYSA-N 1 2 338.473 3.800 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2ccc(F)cc2F)CCCC1 ZINC000090012005 1032550568 /nfs/dbraw/zinc/55/05/68/1032550568.db2.gz FDJCBAKFMMRUKG-UHFFFAOYSA-N 1 2 347.409 3.570 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1nc(-c2cccnc2)no1 ZINC000528647940 1032553221 /nfs/dbraw/zinc/55/32/21/1032553221.db2.gz FBFHOPKTUCTLGD-DYVFJYSZSA-N 1 2 335.411 3.719 20 0 EHADLO Fc1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc(F)c1F ZINC000119080129 1032563490 /nfs/dbraw/zinc/56/34/90/1032563490.db2.gz SDPDDOPFMVLMPA-CQSZACIVSA-N 1 2 325.330 3.878 20 0 EHADLO Fc1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc(F)c1F ZINC000119080129 1032563495 /nfs/dbraw/zinc/56/34/95/1032563495.db2.gz SDPDDOPFMVLMPA-CQSZACIVSA-N 1 2 325.330 3.878 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457384 1032576219 /nfs/dbraw/zinc/57/62/19/1032576219.db2.gz GGABNSLCNIBBMD-GHMZBOCLSA-N 1 2 342.390 3.763 20 0 EHADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000449457384 1032576228 /nfs/dbraw/zinc/57/62/28/1032576228.db2.gz GGABNSLCNIBBMD-GHMZBOCLSA-N 1 2 342.390 3.763 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1ccc(Cl)cc1Cl ZINC000090179732 1032576845 /nfs/dbraw/zinc/57/68/45/1032576845.db2.gz QWGQDLWMDHOPJF-CYBMUJFWSA-N 1 2 327.211 3.926 20 0 EHADLO Cc1cc2cc(C[NH2+][C@@H](c3nccn3C)C(C)(C)CO)oc2cc1C ZINC000449440909 1032583731 /nfs/dbraw/zinc/58/37/31/1032583731.db2.gz DINUBKOVBPAJEE-SFHVURJKSA-N 1 2 341.455 3.633 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000641934691 1032671419 /nfs/dbraw/zinc/67/14/19/1032671419.db2.gz AJQOSTSGYUZYEJ-HXUWFJFHSA-N 1 2 346.421 3.910 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000641934691 1032671425 /nfs/dbraw/zinc/67/14/25/1032671425.db2.gz AJQOSTSGYUZYEJ-HXUWFJFHSA-N 1 2 346.421 3.910 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)cc(C)c3)CC2)s1 ZINC000606395748 1032673174 /nfs/dbraw/zinc/67/31/74/1032673174.db2.gz MNIQEWZGVDMNBV-UHFFFAOYSA-N 1 2 342.508 3.885 20 0 EHADLO Cc1ccc(-c2cc(-c3nc([C@H]([NH3+])CC(C)C)no3)[nH]n2)cc1C ZINC000414619891 1017070028 /nfs/dbraw/zinc/07/00/28/1017070028.db2.gz OSWOFRNPKWJHHU-CQSZACIVSA-N 1 2 325.416 3.789 20 0 EHADLO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C1 ZINC000188313101 1017121951 /nfs/dbraw/zinc/12/19/51/1017121951.db2.gz INBBBSMTUASNES-DNVCBOLYSA-N 1 2 341.455 3.697 20 0 EHADLO COc1nccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1F ZINC000892720566 1017155679 /nfs/dbraw/zinc/15/56/79/1017155679.db2.gz MIUQLVVOWBDURC-MRXNPFEDSA-N 1 2 328.391 3.593 20 0 EHADLO CC1(C)OCC[C@H]1[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000579916819 1017164131 /nfs/dbraw/zinc/16/41/31/1017164131.db2.gz MWJRSOZTAHVXBA-QZTJIDSGSA-N 1 2 349.434 3.983 20 0 EHADLO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2noc(C(C)C)n2)c1 ZINC000547883298 1017185645 /nfs/dbraw/zinc/18/56/45/1017185645.db2.gz RMRIGOCQPRZQBG-IRXDYDNUSA-N 1 2 329.444 3.981 20 0 EHADLO O=C(CCn1cccc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683454064 1017206283 /nfs/dbraw/zinc/20/62/83/1017206283.db2.gz AKCVBXRGPYPIAX-UHFFFAOYSA-N 1 2 334.423 3.717 20 0 EHADLO Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188590771 1017215127 /nfs/dbraw/zinc/21/51/27/1017215127.db2.gz NJVUCDOOHDDZOE-UHFFFAOYSA-N 1 2 338.436 3.842 20 0 EHADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000683520661 1017257545 /nfs/dbraw/zinc/25/75/45/1017257545.db2.gz JXPLTBLYJYHGOF-WBVHZDCISA-N 1 2 343.858 3.853 20 0 EHADLO CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1Cl ZINC000377030342 1017271168 /nfs/dbraw/zinc/27/11/68/1017271168.db2.gz OGOOCJBSWRZLCV-UHFFFAOYSA-N 1 2 341.846 3.553 20 0 EHADLO CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1Cl ZINC000377030342 1017271177 /nfs/dbraw/zinc/27/11/77/1017271177.db2.gz OGOOCJBSWRZLCV-UHFFFAOYSA-N 1 2 341.846 3.553 20 0 EHADLO CCC1(CC)CN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000655621738 1017310119 /nfs/dbraw/zinc/31/01/19/1017310119.db2.gz SVLILSDYKMOKRU-QGZVFWFLSA-N 1 2 340.471 3.536 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000537392528 1032690599 /nfs/dbraw/zinc/69/05/99/1032690599.db2.gz LIDNSALBSIULMW-KRWDZBQOSA-N 1 2 330.497 3.785 20 0 EHADLO CC(C)Cc1ncc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000537392528 1032690609 /nfs/dbraw/zinc/69/06/09/1032690609.db2.gz LIDNSALBSIULMW-KRWDZBQOSA-N 1 2 330.497 3.785 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1Oc1ccncc1 ZINC000377098766 1017323975 /nfs/dbraw/zinc/32/39/75/1017323975.db2.gz TXSHMQZVSQAWQZ-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO O=C(/C=C/c1cncs1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000377110115 1017337980 /nfs/dbraw/zinc/33/79/80/1017337980.db2.gz BCBOSDBVGAQMLT-BQYQJAHWSA-N 1 2 348.431 3.710 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1F ZINC000606448830 1032692024 /nfs/dbraw/zinc/69/20/24/1032692024.db2.gz HSNQZUWDSWJGHH-CQSZACIVSA-N 1 2 344.405 3.509 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1F ZINC000606448830 1032692029 /nfs/dbraw/zinc/69/20/29/1032692029.db2.gz HSNQZUWDSWJGHH-CQSZACIVSA-N 1 2 344.405 3.509 20 0 EHADLO C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000537394879 1032693213 /nfs/dbraw/zinc/69/32/13/1032693213.db2.gz SMCJJNRSJJYSPY-VLIAUNLRSA-N 1 2 341.430 3.793 20 0 EHADLO Cc1cccc(C[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)c1 ZINC000537394762 1032693394 /nfs/dbraw/zinc/69/33/94/1032693394.db2.gz PAZILHNFYZYLFT-FQEVSTJZSA-N 1 2 337.467 3.660 20 0 EHADLO CC1(C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1c1cccs1 ZINC000377142190 1017365947 /nfs/dbraw/zinc/36/59/47/1017365947.db2.gz ZJMIZBJQBWIGTO-MRXNPFEDSA-N 1 2 338.436 3.552 20 0 EHADLO Fc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655689331 1017392216 /nfs/dbraw/zinc/39/22/16/1017392216.db2.gz AAAFURCOCQSAMG-KRWDZBQOSA-N 1 2 338.386 3.834 20 0 EHADLO Clc1cc(Br)ccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655700622 1017416563 /nfs/dbraw/zinc/41/65/63/1017416563.db2.gz JRPBCTIIWHLXRO-ZDUSSCGKSA-N 1 2 340.652 3.924 20 0 EHADLO COc1ccc(C[NH2+][C@H]2CCCn3ccnc32)c(OC2CCCC2)c1 ZINC000655719104 1017456172 /nfs/dbraw/zinc/45/61/72/1017456172.db2.gz QJBMJBLNEMZZLX-SFHVURJKSA-N 1 2 341.455 3.838 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000655796639 1017630695 /nfs/dbraw/zinc/63/06/95/1017630695.db2.gz GJACSQZNAMARON-RHSMWYFYSA-N 1 2 328.460 3.706 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc2ccccc2s1 ZINC000655794909 1017630770 /nfs/dbraw/zinc/63/07/70/1017630770.db2.gz VCHLDBSFQDXSOY-AAEUAGOBSA-N 1 2 328.441 3.722 20 0 EHADLO Clc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)cc1 ZINC000655796267 1017631343 /nfs/dbraw/zinc/63/13/43/1017631343.db2.gz DULOSMGCOXYBNQ-BMFZPTHFSA-N 1 2 346.862 3.736 20 0 EHADLO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000655796976 1017635216 /nfs/dbraw/zinc/63/52/16/1017635216.db2.gz LEKAEXNHIXGVBQ-JKSUJKDBSA-N 1 2 344.484 3.545 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000655797079 1017636289 /nfs/dbraw/zinc/63/62/89/1017636289.db2.gz LANKLRXQMRFPCL-KBXCAEBGSA-N 1 2 349.438 3.569 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000655798092 1017638545 /nfs/dbraw/zinc/63/85/45/1017638545.db2.gz TULRUYYQUAUMLE-CZUORRHYSA-N 1 2 328.460 3.805 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000528742481 1032716740 /nfs/dbraw/zinc/71/67/40/1032716740.db2.gz NGGGDVTYADUBGC-UHFFFAOYSA-N 1 2 342.874 3.939 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000528742481 1032716747 /nfs/dbraw/zinc/71/67/47/1032716747.db2.gz NGGGDVTYADUBGC-UHFFFAOYSA-N 1 2 342.874 3.939 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000472748375 1017699622 /nfs/dbraw/zinc/69/96/22/1017699622.db2.gz IRDHYKAJDPWFEC-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000472748375 1017699629 /nfs/dbraw/zinc/69/96/29/1017699629.db2.gz IRDHYKAJDPWFEC-KRWDZBQOSA-N 1 2 336.439 3.648 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000377394977 1017747989 /nfs/dbraw/zinc/74/79/89/1017747989.db2.gz ZKKPEVJWZLNYSZ-OCCSQVGLSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000377394977 1017747994 /nfs/dbraw/zinc/74/79/94/1017747994.db2.gz ZKKPEVJWZLNYSZ-OCCSQVGLSA-N 1 2 332.245 3.790 20 0 EHADLO COc1cccc([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000340430210 1017760182 /nfs/dbraw/zinc/76/01/82/1017760182.db2.gz DCBQBGQVLUCBTO-WDEREUQCSA-N 1 2 336.233 3.660 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528742883 1032722813 /nfs/dbraw/zinc/72/28/13/1032722813.db2.gz YVBCOJVPUUPGQR-UHFFFAOYSA-N 1 2 349.356 3.811 20 0 EHADLO FC(F)(F)Oc1cccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528742883 1032722823 /nfs/dbraw/zinc/72/28/23/1032722823.db2.gz YVBCOJVPUUPGQR-UHFFFAOYSA-N 1 2 349.356 3.811 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177624476 1017834497 /nfs/dbraw/zinc/83/44/97/1017834497.db2.gz QCXQDRWEZZTKMS-CYBMUJFWSA-N 1 2 331.847 3.756 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177624476 1017834521 /nfs/dbraw/zinc/83/45/21/1017834521.db2.gz QCXQDRWEZZTKMS-CYBMUJFWSA-N 1 2 331.847 3.756 20 0 EHADLO Cc1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)o1 ZINC000046282217 1017848319 /nfs/dbraw/zinc/84/83/19/1017848319.db2.gz ZFZGEGOAFRTEPE-UHFFFAOYSA-N 1 2 335.407 3.638 20 0 EHADLO CCS[C@@H](C)c1noc(CN(C)c2cc(C)[nH+]c(C3CCC3)n2)n1 ZINC000892946249 1017876861 /nfs/dbraw/zinc/87/68/61/1017876861.db2.gz WOOXZWBJHVSXHK-LBPRGKRZSA-N 1 2 347.488 3.886 20 0 EHADLO Clc1cccnc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761080 1032733803 /nfs/dbraw/zinc/73/38/03/1032733803.db2.gz CJKMGINYYPKYIK-UHFFFAOYSA-N 1 2 326.831 3.539 20 0 EHADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1csc(C(F)(F)F)c1 ZINC000924614911 1017938739 /nfs/dbraw/zinc/93/87/39/1017938739.db2.gz LENOALZUMKVTRO-RNCFNFMXSA-N 1 2 328.359 3.644 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152068 1017951133 /nfs/dbraw/zinc/95/11/33/1017951133.db2.gz OPMFACLMUPDTPK-KBPBESRZSA-N 1 2 337.872 3.935 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152068 1017951139 /nfs/dbraw/zinc/95/11/39/1017951139.db2.gz OPMFACLMUPDTPK-KBPBESRZSA-N 1 2 337.872 3.935 20 0 EHADLO CCOc1cc(/C=C\C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1O ZINC000255067702 1017999561 /nfs/dbraw/zinc/99/95/61/1017999561.db2.gz UDPKUDVJOCNFKE-WMZJFQQLSA-N 1 2 349.390 3.833 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000460527478 1018008513 /nfs/dbraw/zinc/00/85/13/1018008513.db2.gz YETQBLLEXBVFNE-GUYCJALGSA-N 1 2 346.862 3.849 20 0 EHADLO Fc1cccnc1C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000090720024 1018038468 /nfs/dbraw/zinc/03/84/68/1018038468.db2.gz MGNPJALLKRNIRA-CYBMUJFWSA-N 1 2 337.192 3.597 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C2CC2)o1 ZINC000377621083 1018080471 /nfs/dbraw/zinc/08/04/71/1018080471.db2.gz FTNWXQFNNAMVAY-UHOFOFEASA-N 1 2 339.439 3.737 20 0 EHADLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708348 1018101490 /nfs/dbraw/zinc/10/14/90/1018101490.db2.gz GQVLTFXDRTYODI-DNVCBOLYSA-N 1 2 344.430 3.849 20 0 EHADLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(OCc2cccnc2)c1 ZINC000683708348 1018101494 /nfs/dbraw/zinc/10/14/94/1018101494.db2.gz GQVLTFXDRTYODI-DNVCBOLYSA-N 1 2 344.430 3.849 20 0 EHADLO C[C@@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255076990 1018103704 /nfs/dbraw/zinc/10/37/04/1018103704.db2.gz AJODVRAARLEXQS-CLOOOTJHSA-N 1 2 347.418 3.811 20 0 EHADLO CCc1noc(C)c1C[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091981166 1032750141 /nfs/dbraw/zinc/75/01/41/1032750141.db2.gz SMHVSASQRGHZGK-AWEZNQCLSA-N 1 2 331.435 3.563 20 0 EHADLO CCc1noc(C)c1CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091981166 1032750154 /nfs/dbraw/zinc/75/01/54/1032750154.db2.gz SMHVSASQRGHZGK-AWEZNQCLSA-N 1 2 331.435 3.563 20 0 EHADLO Cc1c(F)cccc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001204512076 1018265108 /nfs/dbraw/zinc/26/51/08/1018265108.db2.gz CCPNYDBXYBGNDM-QGZVFWFLSA-N 1 2 326.406 3.830 20 0 EHADLO CCC(C)(C)C1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651020508 1018273060 /nfs/dbraw/zinc/27/30/60/1018273060.db2.gz GSVHHNDTOWCUNG-UHFFFAOYSA-N 1 2 331.504 3.873 20 0 EHADLO COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606570082 1032753748 /nfs/dbraw/zinc/75/37/48/1032753748.db2.gz QWLWZCKVLBUXJI-LBPRGKRZSA-N 1 2 342.374 3.673 20 0 EHADLO CC(C)c1ccc(OCCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606580103 1032765432 /nfs/dbraw/zinc/76/54/32/1032765432.db2.gz AGIFOHKULAPHLP-UHFFFAOYSA-N 1 2 338.411 3.658 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCc2c1cccc2Cl ZINC000606582807 1032765937 /nfs/dbraw/zinc/76/59/37/1032765937.db2.gz DWRSLCCJSAATTE-OAHLLOKOSA-N 1 2 326.787 3.797 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000606583754 1032771268 /nfs/dbraw/zinc/77/12/68/1032771268.db2.gz MPQZFVQWEOQQJT-KRWDZBQOSA-N 1 2 334.423 3.821 20 0 EHADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000177697917 1018583582 /nfs/dbraw/zinc/58/35/82/1018583582.db2.gz GCHFSIWHHPLGBZ-FNWMBBJUSA-N 1 2 329.275 3.503 20 0 EHADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000177697917 1018583592 /nfs/dbraw/zinc/58/35/92/1018583592.db2.gz GCHFSIWHHPLGBZ-FNWMBBJUSA-N 1 2 329.275 3.503 20 0 EHADLO O=c1[nH]c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nc2ccc(Cl)cc12 ZINC000278821976 1018583733 /nfs/dbraw/zinc/58/37/33/1018583733.db2.gz PTIZGHZLXUTMBS-VIFPVBQESA-N 1 2 345.752 3.763 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)nc2ccc(Cl)cc12 ZINC000278821976 1018583741 /nfs/dbraw/zinc/58/37/41/1018583741.db2.gz PTIZGHZLXUTMBS-VIFPVBQESA-N 1 2 345.752 3.763 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3c(OC)cccc23)C12CCOCC2 ZINC000275769038 1018585089 /nfs/dbraw/zinc/58/50/89/1018585089.db2.gz GVAZAZRXXFSCSD-QZTJIDSGSA-N 1 2 342.439 3.630 20 0 EHADLO Fc1ccsc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000340584400 1018590736 /nfs/dbraw/zinc/59/07/36/1018590736.db2.gz JXMUMUAHWREUQK-UHFFFAOYSA-N 1 2 326.356 3.849 20 0 EHADLO C[N@H+](Cc1ccn2ccnc2c1)Cc1ccccc1Br ZINC001141042540 1018600721 /nfs/dbraw/zinc/60/07/21/1018600721.db2.gz VNMQKAYSMHXGTE-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[N@@H+](Cc1ccn2ccnc2c1)Cc1ccccc1Br ZINC001141042540 1018600728 /nfs/dbraw/zinc/60/07/28/1018600728.db2.gz VNMQKAYSMHXGTE-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[C@H]1C[C@@H]1N(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000415889813 1018619128 /nfs/dbraw/zinc/61/91/28/1018619128.db2.gz JJFCHASYTFHGBB-ISARSNTHSA-N 1 2 335.451 3.596 20 0 EHADLO COc1cc(Nc2cccc(-c3nc(CO)cs3)c2)cc(C)[nH+]1 ZINC001210784698 1018689273 /nfs/dbraw/zinc/68/92/73/1018689273.db2.gz TZGWBLNLJCWOFY-UHFFFAOYSA-N 1 2 327.409 3.758 20 0 EHADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cccc(C)c1OC)c1ccccc1 ZINC000656126940 1018698372 /nfs/dbraw/zinc/69/83/72/1018698372.db2.gz CISQUGYJVBMETR-IBGZPJMESA-N 1 2 340.467 3.703 20 0 EHADLO Cc1cc(CNc2ccc(N3CCCC3)c[nH+]2)cc(C)c1OC(F)F ZINC000513056809 1018722332 /nfs/dbraw/zinc/72/23/32/1018722332.db2.gz ASLIXVSVSYFMHJ-UHFFFAOYSA-N 1 2 347.409 3.934 20 0 EHADLO CO[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614354386 1018822320 /nfs/dbraw/zinc/82/23/20/1018822320.db2.gz VVYYMQKMLUDITP-GOEBONIOSA-N 1 2 339.439 3.640 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000683842005 1018827070 /nfs/dbraw/zinc/82/70/70/1018827070.db2.gz OECLXTCHUQPUHB-ZDUSSCGKSA-N 1 2 347.459 3.599 20 0 EHADLO Fc1cccnc1O[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000683842005 1018827091 /nfs/dbraw/zinc/82/70/91/1018827091.db2.gz OECLXTCHUQPUHB-ZDUSSCGKSA-N 1 2 347.459 3.599 20 0 EHADLO Cc1ccoc1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614353873 1018831061 /nfs/dbraw/zinc/83/10/61/1018831061.db2.gz PHCSAPCRTFBYIB-UHFFFAOYSA-N 1 2 335.407 3.969 20 0 EHADLO COCC[N@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000160440049 1018837976 /nfs/dbraw/zinc/83/79/76/1018837976.db2.gz MBSAOHCFWAYLIU-UHFFFAOYSA-N 1 2 329.831 3.636 20 0 EHADLO COCC[N@@H+](Cc1c(Cl)nc2ccccn21)Cc1ccccc1 ZINC000160440049 1018837997 /nfs/dbraw/zinc/83/79/97/1018837997.db2.gz MBSAOHCFWAYLIU-UHFFFAOYSA-N 1 2 329.831 3.636 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161752 1018852383 /nfs/dbraw/zinc/85/23/83/1018852383.db2.gz RCFGDEXKKRDMCY-UHFFFAOYSA-N 1 2 342.414 3.828 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161752 1018852400 /nfs/dbraw/zinc/85/24/00/1018852400.db2.gz RCFGDEXKKRDMCY-UHFFFAOYSA-N 1 2 342.414 3.828 20 0 EHADLO c1csc(-c2nc(C[NH2+]CCSCc3ccccc3)no2)c1 ZINC000449554229 1032791955 /nfs/dbraw/zinc/79/19/55/1032791955.db2.gz NRNUUXJYLIKHAC-UHFFFAOYSA-N 1 2 331.466 3.821 20 0 EHADLO Cc1ccncc1C[N@@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894170712 1019015381 /nfs/dbraw/zinc/01/53/81/1019015381.db2.gz FBYVEVNLRDJLKP-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO Cc1ccncc1C[N@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894170712 1019015393 /nfs/dbraw/zinc/01/53/93/1019015393.db2.gz FBYVEVNLRDJLKP-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000473504115 1019063301 /nfs/dbraw/zinc/06/33/01/1019063301.db2.gz OHQKFKSZAHHVNB-IXDOHACOSA-N 1 2 340.471 3.507 20 0 EHADLO Cc1cccc(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1C ZINC000340671423 1019151000 /nfs/dbraw/zinc/15/10/00/1019151000.db2.gz OFLQAUYVQGXAFG-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@]3(CC=CCC3)C1)C2 ZINC000476070507 1032812243 /nfs/dbraw/zinc/81/22/43/1032812243.db2.gz HZRJWXPAAWXOTK-KKSFZXQISA-N 1 2 341.499 3.987 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@]3(CC=CCC3)C1)CC2 ZINC000476070507 1032812257 /nfs/dbraw/zinc/81/22/57/1032812257.db2.gz HZRJWXPAAWXOTK-KKSFZXQISA-N 1 2 341.499 3.987 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2n1 ZINC000729340995 1019299162 /nfs/dbraw/zinc/29/91/62/1019299162.db2.gz JAAUSRCYXBYRLL-SFHVURJKSA-N 1 2 336.439 3.584 20 0 EHADLO CCCN(C)c1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729337361 1019300392 /nfs/dbraw/zinc/30/03/92/1019300392.db2.gz DWJJHWXHYVYPRH-SFHVURJKSA-N 1 2 342.487 3.574 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(Br)c1F ZINC000449565020 1032817024 /nfs/dbraw/zinc/81/70/24/1032817024.db2.gz FUQGPKHJEUVEAR-JTQLQIEISA-N 1 2 326.213 3.655 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[S@]1=O ZINC000449571702 1032826640 /nfs/dbraw/zinc/82/66/40/1032826640.db2.gz LFVIVRUIAMXSKJ-XMMPIXPASA-N 1 2 346.471 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[S@]1=O ZINC000449571702 1032826658 /nfs/dbraw/zinc/82/66/58/1032826658.db2.gz LFVIVRUIAMXSKJ-XMMPIXPASA-N 1 2 346.471 3.621 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2sccc2C1 ZINC000593249499 1032828678 /nfs/dbraw/zinc/82/86/78/1032828678.db2.gz UNQGHDUWJQLEGP-UHFFFAOYSA-N 1 2 337.448 3.582 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449572667 1032829921 /nfs/dbraw/zinc/82/99/21/1032829921.db2.gz NUFJXCBBGJQCOR-XIKOKIGWSA-N 1 2 339.418 3.620 20 0 EHADLO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513266767 1019488535 /nfs/dbraw/zinc/48/85/35/1019488535.db2.gz MMYPVPJQNXSZMD-LBPRGKRZSA-N 1 2 333.382 3.773 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000614482005 1019516977 /nfs/dbraw/zinc/51/69/77/1019516977.db2.gz XDNWSPUSSBMOIB-UHFFFAOYSA-N 1 2 342.508 3.905 20 0 EHADLO COc1cccc2c(NCCOCC(F)(F)C(F)F)cc[nH+]c12 ZINC000433812846 1019637936 /nfs/dbraw/zinc/63/79/36/1019637936.db2.gz XBDPWOKKONPKPZ-UHFFFAOYSA-N 1 2 332.297 3.572 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000513415538 1019646102 /nfs/dbraw/zinc/64/61/02/1019646102.db2.gz JZJYPGYIKHCYEO-MLHJIOFPSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000058705938 1032845858 /nfs/dbraw/zinc/84/58/58/1032845858.db2.gz CLDPBJDRUMLZDJ-UHFFFAOYSA-N 1 2 333.435 3.775 20 0 EHADLO Cc1ccc(C)c(OCC[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000513451741 1019701724 /nfs/dbraw/zinc/70/17/24/1019701724.db2.gz SHEVSXUMTMNLMZ-UHFFFAOYSA-N 1 2 344.524 3.604 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000513478601 1019730820 /nfs/dbraw/zinc/73/08/20/1019730820.db2.gz FENPATWZCQWLKR-AWEZNQCLSA-N 1 2 327.371 3.594 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000513478601 1019730841 /nfs/dbraw/zinc/73/08/41/1019730841.db2.gz FENPATWZCQWLKR-AWEZNQCLSA-N 1 2 327.371 3.594 20 0 EHADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(SCC(F)(F)F)cc1 ZINC000580660963 1019816803 /nfs/dbraw/zinc/81/68/03/1019816803.db2.gz YPHLINFFARNNHU-LLVKDONJSA-N 1 2 327.375 3.982 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020006 1019824537 /nfs/dbraw/zinc/82/45/37/1019824537.db2.gz DEZVQEACARVTHX-UHFFFAOYSA-N 1 2 339.483 3.783 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000291830644 1019837294 /nfs/dbraw/zinc/83/72/94/1019837294.db2.gz IQULUTMKKUXBQU-KRWDZBQOSA-N 1 2 346.862 3.804 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2CC2CCCC2)s1 ZINC000656278986 1019902681 /nfs/dbraw/zinc/90/26/81/1019902681.db2.gz NVRYERBOSYBHAG-AWEZNQCLSA-N 1 2 327.515 3.696 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)s1 ZINC000656278986 1019902691 /nfs/dbraw/zinc/90/26/91/1019902691.db2.gz NVRYERBOSYBHAG-AWEZNQCLSA-N 1 2 327.515 3.696 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1C ZINC000050448742 1019929112 /nfs/dbraw/zinc/92/91/12/1019929112.db2.gz GYYHYWOBDPWASS-BLLLJJGKSA-N 1 2 342.439 3.672 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1C ZINC000050447841 1019932178 /nfs/dbraw/zinc/93/21/78/1019932178.db2.gz BPOSBNHKGIGXPQ-CVEARBPZSA-N 1 2 344.842 3.780 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CCCC1)[NH+]1CC(C)C1 ZINC000580782700 1020013663 /nfs/dbraw/zinc/01/36/63/1020013663.db2.gz DOYUTGMTQRHKNG-ZDUSSCGKSA-N 1 2 336.863 3.940 20 0 EHADLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccccc2)n1 ZINC000093064037 1032874861 /nfs/dbraw/zinc/87/48/61/1032874861.db2.gz XVTCWJKWBSJARU-UHFFFAOYSA-N 1 2 329.407 3.885 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c[nH+]1 ZINC000897593362 1032883160 /nfs/dbraw/zinc/88/31/60/1032883160.db2.gz BBYHBNIAFZNHQM-WMZOPIPTSA-N 1 2 325.456 3.640 20 0 EHADLO Cc1cc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)cc(C)c1F ZINC001143383655 1020219816 /nfs/dbraw/zinc/21/98/16/1020219816.db2.gz BYIIKGCQMMKDET-UHFFFAOYSA-N 1 2 339.414 3.674 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000345443101 1020255082 /nfs/dbraw/zinc/25/50/82/1020255082.db2.gz GQGQRSPDGMPMHE-UHFFFAOYSA-N 1 2 337.467 3.856 20 0 EHADLO Cc1sccc1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345451028 1020264623 /nfs/dbraw/zinc/26/46/23/1020264623.db2.gz FUNJFHFJYVCDEO-UHFFFAOYSA-N 1 2 343.496 3.538 20 0 EHADLO O=C(C[C@H]1CCCc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345453360 1020267078 /nfs/dbraw/zinc/26/70/78/1020267078.db2.gz SLAUYVKLXODZAI-IEBWSBKVSA-N 1 2 336.435 3.572 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000292069558 1020304413 /nfs/dbraw/zinc/30/44/13/1020304413.db2.gz SPUQHKUBPUFARA-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO Cc1sccc1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000345569020 1020365074 /nfs/dbraw/zinc/36/50/74/1020365074.db2.gz NVQBAOWOTDZNHR-CQSZACIVSA-N 1 2 344.480 3.631 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000528825637 1032900516 /nfs/dbraw/zinc/90/05/16/1032900516.db2.gz ILRQCTVYAPSGSO-UTRMSSBJSA-N 1 2 341.430 3.626 20 0 EHADLO C[C@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528824085 1032898908 /nfs/dbraw/zinc/89/89/08/1032898908.db2.gz DRHIMTJPEXJSAW-KBPBESRZSA-N 1 2 325.403 3.508 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c2ccccc12)[C@H]1CCn2c[nH+]cc2C1 ZINC001167445448 1020420477 /nfs/dbraw/zinc/42/04/77/1020420477.db2.gz XVLGGTGHBZYHTI-NSHDSACASA-N 1 2 341.798 3.596 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)CC2CCCCC2)nc1-c1ccccn1 ZINC000177916740 1020443281 /nfs/dbraw/zinc/44/32/81/1020443281.db2.gz JTNXNSSMNHCNDZ-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)CC2CCCCC2)nc1-c1ccccn1 ZINC000177916740 1020443285 /nfs/dbraw/zinc/44/32/85/1020443285.db2.gz JTNXNSSMNHCNDZ-UHFFFAOYSA-N 1 2 345.516 3.966 20 0 EHADLO O[C@H](C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000093766845 1032902794 /nfs/dbraw/zinc/90/27/94/1032902794.db2.gz YDJLIBFIAVZGMK-CYBMUJFWSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000340863861 1020477959 /nfs/dbraw/zinc/47/79/59/1020477959.db2.gz VZMRCLUVZJNCDP-UHFFFAOYSA-N 1 2 338.436 3.991 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000340863861 1020477964 /nfs/dbraw/zinc/47/79/64/1020477964.db2.gz VZMRCLUVZJNCDP-UHFFFAOYSA-N 1 2 338.436 3.991 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)cs1 ZINC000280572571 1020495395 /nfs/dbraw/zinc/49/53/95/1020495395.db2.gz SBJQNIDTOQAECO-INIZCTEOSA-N 1 2 331.485 3.534 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)cs1 ZINC000280572571 1020495399 /nfs/dbraw/zinc/49/53/99/1020495399.db2.gz SBJQNIDTOQAECO-INIZCTEOSA-N 1 2 331.485 3.534 20 0 EHADLO [NH3+][C@H](C(=O)N1CCC(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000581185078 1020506097 /nfs/dbraw/zinc/50/60/97/1020506097.db2.gz KNBRALGAUMSPAU-SFHVURJKSA-N 1 2 348.368 3.510 20 0 EHADLO CC[N@H+](CCC(F)(F)F)Cc1cccc(O)c1Br ZINC000656428132 1020538289 /nfs/dbraw/zinc/53/82/89/1020538289.db2.gz MAMGQPJUIFSPNN-UHFFFAOYSA-N 1 2 326.156 3.929 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)Cc1cccc(O)c1Br ZINC000656428132 1020538294 /nfs/dbraw/zinc/53/82/94/1020538294.db2.gz MAMGQPJUIFSPNN-UHFFFAOYSA-N 1 2 326.156 3.929 20 0 EHADLO c1cn(-c2ccnc(-c3nc([C@H]4CCCc5ccccc54)no3)c2)c[nH+]1 ZINC000345859095 1020561908 /nfs/dbraw/zinc/56/19/08/1020561908.db2.gz XQYKVSSYCKVSSA-KRWDZBQOSA-N 1 2 343.390 3.786 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093866101 1032916318 /nfs/dbraw/zinc/91/63/18/1032916318.db2.gz URTCIEUICHPIDY-HNNXBMFYSA-N 1 2 340.320 3.893 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093866101 1032916334 /nfs/dbraw/zinc/91/63/34/1032916334.db2.gz URTCIEUICHPIDY-HNNXBMFYSA-N 1 2 340.320 3.893 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C[C@@H]1n1cc[nH+]c1 ZINC000345941898 1020609566 /nfs/dbraw/zinc/60/95/66/1020609566.db2.gz GZSDCPLGUYTOAY-QRWLVFNGSA-N 1 2 345.446 3.858 20 0 EHADLO Cc1cccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000128630747 1020617379 /nfs/dbraw/zinc/61/73/79/1020617379.db2.gz SIPCABQFQXUEGN-INIZCTEOSA-N 1 2 328.481 3.504 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2ccn(CC(F)(F)F)n2)c1C ZINC000419451978 1020661268 /nfs/dbraw/zinc/66/12/68/1020661268.db2.gz FQQBWKXXNQHNBA-UHFFFAOYSA-N 1 2 345.390 3.899 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000548158163 1020674201 /nfs/dbraw/zinc/67/42/01/1020674201.db2.gz WZQBFZGWQOYBMP-AWEZNQCLSA-N 1 2 329.444 3.507 20 0 EHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000548158163 1020674203 /nfs/dbraw/zinc/67/42/03/1020674203.db2.gz WZQBFZGWQOYBMP-AWEZNQCLSA-N 1 2 329.444 3.507 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000093885921 1032922570 /nfs/dbraw/zinc/92/25/70/1032922570.db2.gz DXIYXUBAWXIEAO-CQSZACIVSA-N 1 2 342.443 3.917 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc3[nH]ccc32)n1 ZINC000093885921 1032922578 /nfs/dbraw/zinc/92/25/78/1032922578.db2.gz DXIYXUBAWXIEAO-CQSZACIVSA-N 1 2 342.443 3.917 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)[C@H](C)C1 ZINC000933174839 1020725990 /nfs/dbraw/zinc/72/59/90/1020725990.db2.gz LZHUUISPFKZAOL-GDBMZVCRSA-N 1 2 344.480 3.507 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)[C@H](C)C1 ZINC000933174839 1020725995 /nfs/dbraw/zinc/72/59/95/1020725995.db2.gz LZHUUISPFKZAOL-GDBMZVCRSA-N 1 2 344.480 3.507 20 0 EHADLO Cc1cccc(-n2ccn(C[N@@H+](C)Cc3cccn3C)c2=S)c1 ZINC000760400957 1032925862 /nfs/dbraw/zinc/92/58/62/1032925862.db2.gz CPYWGQCWCYJHOP-UHFFFAOYSA-N 1 2 326.469 3.745 20 0 EHADLO Cc1cccc(-n2ccn(C[N@H+](C)Cc3cccn3C)c2=S)c1 ZINC000760400957 1032925882 /nfs/dbraw/zinc/92/58/82/1032925882.db2.gz CPYWGQCWCYJHOP-UHFFFAOYSA-N 1 2 326.469 3.745 20 0 EHADLO CCCCc1noc([C@@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)n1 ZINC000528851703 1032931394 /nfs/dbraw/zinc/93/13/94/1032931394.db2.gz XOHIKDWNVWZPPP-SJKOYZFVSA-N 1 2 330.432 3.618 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000656527547 1020838606 /nfs/dbraw/zinc/83/86/06/1020838606.db2.gz SKJSLBBSGAOGIR-ZDUSSCGKSA-N 1 2 336.464 3.940 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1F ZINC000137543089 1032944675 /nfs/dbraw/zinc/94/46/75/1032944675.db2.gz MUYFCHMZUSYPGD-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccccc1F ZINC000137543089 1032944683 /nfs/dbraw/zinc/94/46/83/1032944683.db2.gz MUYFCHMZUSYPGD-ZDUSSCGKSA-N 1 2 334.822 3.616 20 0 EHADLO O=C(c1ccc(SC2CC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000341075903 1020955971 /nfs/dbraw/zinc/95/59/71/1020955971.db2.gz WABGSOKNIYDFCN-UHFFFAOYSA-N 1 2 327.453 3.615 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1C ZINC000341131587 1020991790 /nfs/dbraw/zinc/99/17/90/1020991790.db2.gz VEAFNFDNDNFQBC-OAHLLOKOSA-N 1 2 330.815 3.645 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138540 1021001426 /nfs/dbraw/zinc/00/14/26/1021001426.db2.gz OXCNWXNJMGMVLA-NXEZZACHSA-N 1 2 333.295 3.541 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(Br)s2)C1(C)C ZINC000341138540 1021001429 /nfs/dbraw/zinc/00/14/29/1021001429.db2.gz OXCNWXNJMGMVLA-NXEZZACHSA-N 1 2 333.295 3.541 20 0 EHADLO Cc1cc(CNC(=O)NC2(Cc3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000581482602 1021006639 /nfs/dbraw/zinc/00/66/39/1021006639.db2.gz YFQTZRCRQCICPQ-UHFFFAOYSA-N 1 2 343.858 3.926 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341177827 1021048811 /nfs/dbraw/zinc/04/88/11/1021048811.db2.gz AGMYDKSGYATPCR-LEWJYISDSA-N 1 2 345.446 3.741 20 0 EHADLO CCn1cc(CC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1 ZINC000276341958 1021056737 /nfs/dbraw/zinc/05/67/37/1021056737.db2.gz UDWPWFJKJBGUFQ-KSSFIOAISA-N 1 2 333.863 3.561 20 0 EHADLO CCn1cc(CC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1 ZINC000276341958 1021056742 /nfs/dbraw/zinc/05/67/42/1021056742.db2.gz UDWPWFJKJBGUFQ-KSSFIOAISA-N 1 2 333.863 3.561 20 0 EHADLO CCC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000581578335 1021110110 /nfs/dbraw/zinc/11/01/10/1021110110.db2.gz XPJHXYSEJQZOKU-AZUAARDMSA-N 1 2 339.483 3.949 20 0 EHADLO CCS[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000341236436 1021147144 /nfs/dbraw/zinc/14/71/44/1021147144.db2.gz HPDALYUHCALJPE-KRWDZBQOSA-N 1 2 337.533 3.680 20 0 EHADLO CCO[C@H]1C[C@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000656682193 1021164008 /nfs/dbraw/zinc/16/40/08/1021164008.db2.gz QVIBUXGGCNCNON-FHWLQOOXSA-N 1 2 349.434 3.983 20 0 EHADLO O=C(c1ccccc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341243485 1021167647 /nfs/dbraw/zinc/16/76/47/1021167647.db2.gz RFIKXYAFJMCTNJ-UHFFFAOYSA-N 1 2 331.847 3.869 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051119447 1021183596 /nfs/dbraw/zinc/18/35/96/1021183596.db2.gz NFMJOZVDMFCKNN-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051119447 1021183604 /nfs/dbraw/zinc/18/36/04/1021183604.db2.gz NFMJOZVDMFCKNN-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO Cc1nnsc1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000426292444 1021185647 /nfs/dbraw/zinc/18/56/47/1021185647.db2.gz UZSGFWHMTMBTKC-LLVKDONJSA-N 1 2 342.237 3.525 20 0 EHADLO CC(C)c1ccc(CC2CC[NH+](Cc3ncnn3CCF)CC2)cc1 ZINC000440496761 1021215781 /nfs/dbraw/zinc/21/57/81/1021215781.db2.gz FYYHYRGTFATNMB-UHFFFAOYSA-N 1 2 344.478 3.826 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644632 1021228062 /nfs/dbraw/zinc/22/80/62/1021228062.db2.gz CFSIAUAQVVHJOU-QWRGUYRKSA-N 1 2 346.805 3.510 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(NC(=O)C3CCCCC3)c2)n1C ZINC000341262903 1021230448 /nfs/dbraw/zinc/23/04/48/1021230448.db2.gz RLVUXHHWGMESCX-UHFFFAOYSA-N 1 2 326.444 3.859 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000668149187 1021261967 /nfs/dbraw/zinc/26/19/67/1021261967.db2.gz MHGXFPXXIMMLBQ-OAHLLOKOSA-N 1 2 338.423 3.975 20 0 EHADLO Cc1ncsc1-c1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000668149187 1021261972 /nfs/dbraw/zinc/26/19/72/1021261972.db2.gz MHGXFPXXIMMLBQ-OAHLLOKOSA-N 1 2 338.423 3.975 20 0 EHADLO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000516310590 1021288538 /nfs/dbraw/zinc/28/85/38/1021288538.db2.gz LAGPQQNHYRZFJI-KSZLIROESA-N 1 2 349.434 3.575 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000440503929 1021313222 /nfs/dbraw/zinc/31/32/22/1021313222.db2.gz JZUFLVGHAZFUKG-GDWUOILNSA-N 1 2 338.455 3.551 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCC[C@@]2(C1)Nc1ccc(Cl)cc1C(=O)N2C ZINC000581654475 1021314455 /nfs/dbraw/zinc/31/44/55/1021314455.db2.gz VVYBRPSQIJSSMZ-KZULUSFZSA-N 1 2 344.846 3.625 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000276434041 1021317336 /nfs/dbraw/zinc/31/73/36/1021317336.db2.gz JLICSQPFNBNXAP-LBPRGKRZSA-N 1 2 349.837 3.886 20 0 EHADLO Cc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000341307075 1021405458 /nfs/dbraw/zinc/40/54/58/1021405458.db2.gz JYFVVQPPDCGZER-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cnn1C(C)(C)C ZINC000276475361 1021444116 /nfs/dbraw/zinc/44/41/16/1021444116.db2.gz FDZRGSPKDDYICL-BZNIZROVSA-N 1 2 337.414 3.609 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000518752397 1021498079 /nfs/dbraw/zinc/49/80/79/1021498079.db2.gz WAAUJDYFQFRZRB-WMZOPIPTSA-N 1 2 329.488 3.905 20 0 EHADLO COc1ccc(Cc2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cc1 ZINC000518831218 1021599636 /nfs/dbraw/zinc/59/96/36/1021599636.db2.gz IIOASZOFSXZNTO-UHFFFAOYSA-N 1 2 346.390 3.830 20 0 EHADLO Fc1cccc(C[N@H+](CCc2ccccn2)Cc2ccncc2)c1F ZINC000519692338 1021626263 /nfs/dbraw/zinc/62/62/63/1021626263.db2.gz JCLHCEUFXNLCQI-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO Fc1cccc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c1F ZINC000519692338 1021626271 /nfs/dbraw/zinc/62/62/71/1021626271.db2.gz JCLHCEUFXNLCQI-UHFFFAOYSA-N 1 2 339.389 4.000 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2csc(-c3ccco3)n2)c1C ZINC000051189433 1021629887 /nfs/dbraw/zinc/62/98/87/1021629887.db2.gz IPKXJBWRUGRTEF-UHFFFAOYSA-N 1 2 329.425 3.713 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000437218063 1021660758 /nfs/dbraw/zinc/66/07/58/1021660758.db2.gz COSKSHQXEILDBM-CQSZACIVSA-N 1 2 334.410 3.546 20 0 EHADLO CC1=C(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000437218063 1021660762 /nfs/dbraw/zinc/66/07/62/1021660762.db2.gz COSKSHQXEILDBM-CQSZACIVSA-N 1 2 334.410 3.546 20 0 EHADLO c1cn(C2CCN(c3ncnc4sc5ccccc5c43)CC2)c[nH+]1 ZINC000440632322 1021664586 /nfs/dbraw/zinc/66/45/86/1021664586.db2.gz AZTBIECILQMTMN-UHFFFAOYSA-N 1 2 335.436 3.883 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3ccc(Cl)cc3)CC2)c1C ZINC000064998709 1021674764 /nfs/dbraw/zinc/67/47/64/1021674764.db2.gz KLYCVDLBLUJFGX-UHFFFAOYSA-N 1 2 344.842 3.708 20 0 EHADLO O=C(C[NH2+]Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(F)c1 ZINC000060818652 1033006656 /nfs/dbraw/zinc/00/66/56/1033006656.db2.gz JQWXITDGJFWKSF-UHFFFAOYSA-N 1 2 345.176 4.000 20 0 EHADLO CC(=O)[C@H](C)CCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000516858572 1021791598 /nfs/dbraw/zinc/79/15/98/1021791598.db2.gz ODBWSLBHODPWNM-KBAYOESNSA-N 1 2 345.487 3.706 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](C)CC3(C)C)cn2c1 ZINC000471714206 1021816004 /nfs/dbraw/zinc/81/60/04/1021816004.db2.gz PGISXURKNKKDIW-CQSZACIVSA-N 1 2 331.485 3.523 20 0 EHADLO CCn1ccc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)n1 ZINC000894892563 1021839358 /nfs/dbraw/zinc/83/93/58/1021839358.db2.gz ADDPOKSEHYWNJO-UHFFFAOYSA-N 1 2 336.461 3.601 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](CC(F)(F)F)C1 ZINC000664633656 1021846161 /nfs/dbraw/zinc/84/61/61/1021846161.db2.gz YRFDTEJRDSIAFJ-LBPRGKRZSA-N 1 2 340.345 3.709 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441011144 1021927410 /nfs/dbraw/zinc/92/74/10/1021927410.db2.gz JPGCKRHSMZVLAH-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441011144 1021927417 /nfs/dbraw/zinc/92/74/17/1021927417.db2.gz JPGCKRHSMZVLAH-INIZCTEOSA-N 1 2 340.442 3.539 20 0 EHADLO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCSCC3)co2)cc1 ZINC000164844687 1021963042 /nfs/dbraw/zinc/96/30/42/1021963042.db2.gz PGLZLKNWSGNTJC-UHFFFAOYSA-N 1 2 328.359 3.909 20 0 EHADLO Clc1ccc([C@H]2C[N@H+](CC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000437599889 1021972465 /nfs/dbraw/zinc/97/24/65/1021972465.db2.gz HDXLDNQVCGHXNU-MLGOLLRUSA-N 1 2 330.255 3.793 20 0 EHADLO Clc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCOC3)CCO2)cc1Cl ZINC000437599889 1021972474 /nfs/dbraw/zinc/97/24/74/1021972474.db2.gz HDXLDNQVCGHXNU-MLGOLLRUSA-N 1 2 330.255 3.793 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CCCc2ccccc21 ZINC000290297542 1021986758 /nfs/dbraw/zinc/98/67/58/1021986758.db2.gz NIRKXLRLEVRGAN-FPOVZHCZSA-N 1 2 332.451 3.778 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675453 1033020971 /nfs/dbraw/zinc/02/09/71/1033020971.db2.gz ZXMQXDWPXNTANZ-IMTBSYHQSA-N 1 2 334.190 3.800 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1)C(F)(F)F ZINC000449675453 1033020979 /nfs/dbraw/zinc/02/09/79/1033020979.db2.gz ZXMQXDWPXNTANZ-IMTBSYHQSA-N 1 2 334.190 3.800 20 0 EHADLO Cc1ccnc(N)c1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000894397005 1022006677 /nfs/dbraw/zinc/00/66/77/1022006677.db2.gz OGTVJYSASBDCMW-UHFFFAOYSA-N 1 2 338.480 3.504 20 0 EHADLO Cc1cc(C)n(-c2ccc(CCNc3cc(C)[nH+]c(C4CC4)n3)cc2)n1 ZINC000341481982 1022016143 /nfs/dbraw/zinc/01/61/43/1022016143.db2.gz LTRINXRVOZCBLJ-UHFFFAOYSA-N 1 2 347.466 3.541 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548281884 1022038997 /nfs/dbraw/zinc/03/89/97/1022038997.db2.gz XJVOQZNKKOKJCK-DLBZAZTESA-N 1 2 340.471 3.675 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(C(C)C)c(C)c2)no1 ZINC000441222916 1022062071 /nfs/dbraw/zinc/06/20/71/1022062071.db2.gz AHYSHBVSNDWSGD-UHFFFAOYSA-N 1 2 331.460 3.968 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000517127945 1022063479 /nfs/dbraw/zinc/06/34/79/1022063479.db2.gz IFUSCCLTYYWQAB-JTDSTZFVSA-N 1 2 345.487 3.780 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCCCF ZINC000519436695 1022092677 /nfs/dbraw/zinc/09/26/77/1022092677.db2.gz CAVPHYIEWZRSHX-AWEZNQCLSA-N 1 2 346.240 3.735 20 0 EHADLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCCCF ZINC000519436695 1022092695 /nfs/dbraw/zinc/09/26/95/1022092695.db2.gz CAVPHYIEWZRSHX-AWEZNQCLSA-N 1 2 346.240 3.735 20 0 EHADLO Brc1cccc2nc(Nc3ccn4cc[nH+]c4c3)cnc12 ZINC001204971997 1022095436 /nfs/dbraw/zinc/09/54/36/1022095436.db2.gz SOYVGGPURHKCOB-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO CCCc1nc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000440320696 1022101258 /nfs/dbraw/zinc/10/12/58/1022101258.db2.gz ZNMAPDIISVUODH-FQEVSTJZSA-N 1 2 325.456 3.892 20 0 EHADLO CCCc1nc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000440320696 1022101261 /nfs/dbraw/zinc/10/12/61/1022101261.db2.gz ZNMAPDIISVUODH-FQEVSTJZSA-N 1 2 325.456 3.892 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+]Cc1cncnc1OC ZINC000647191079 1022133534 /nfs/dbraw/zinc/13/35/34/1022133534.db2.gz BDBVZTWYLQYRFX-UHFFFAOYSA-N 1 2 329.444 3.652 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000894904958 1022139509 /nfs/dbraw/zinc/13/95/09/1022139509.db2.gz WLWXRLDHAAAEMC-UHFFFAOYSA-N 1 2 335.469 3.579 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000607187852 1033032652 /nfs/dbraw/zinc/03/26/52/1033032652.db2.gz HFEJYTQOFUMWHV-HOTGVXAUSA-N 1 2 335.517 3.544 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CCCCC1 ZINC000520348421 1022165043 /nfs/dbraw/zinc/16/50/43/1022165043.db2.gz UVHXIRLXXDOITM-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CCCCC1 ZINC000520348421 1022165048 /nfs/dbraw/zinc/16/50/48/1022165048.db2.gz UVHXIRLXXDOITM-OAHLLOKOSA-N 1 2 336.426 3.626 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc3c2OCC3)c(C)c1 ZINC000891644015 1022198888 /nfs/dbraw/zinc/19/88/88/1022198888.db2.gz GCPSTBIJKKLYBL-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc3c2OCC3)c(C)c1 ZINC000891644015 1022198894 /nfs/dbraw/zinc/19/88/94/1022198894.db2.gz GCPSTBIJKKLYBL-UHFFFAOYSA-N 1 2 338.451 3.617 20 0 EHADLO Cn1ncc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1C1CC1 ZINC000891646687 1022204204 /nfs/dbraw/zinc/20/42/04/1022204204.db2.gz ZQZHMMHHSGSCMR-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO Cn1ncc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1C1CC1 ZINC000891646687 1022204218 /nfs/dbraw/zinc/20/42/18/1022204218.db2.gz ZQZHMMHHSGSCMR-OAQYLSRUSA-N 1 2 332.451 3.704 20 0 EHADLO Cc1c(Cl)cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548320576 1022262228 /nfs/dbraw/zinc/26/22/28/1022262228.db2.gz LHALKHCEUGBRKE-SNVBAGLBSA-N 1 2 339.226 3.635 20 0 EHADLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c(C)c1C ZINC000581908108 1022279873 /nfs/dbraw/zinc/27/98/73/1022279873.db2.gz UCSFHKSTBUMKSZ-UHFFFAOYSA-N 1 2 345.512 3.810 20 0 EHADLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C)c(C)c1C ZINC000581908108 1022279896 /nfs/dbraw/zinc/27/98/96/1022279896.db2.gz UCSFHKSTBUMKSZ-UHFFFAOYSA-N 1 2 345.512 3.810 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2cncc(Br)c2)s1 ZINC000517395172 1022302244 /nfs/dbraw/zinc/30/22/44/1022302244.db2.gz CVSZTXSWNVMCBM-SECBINFHSA-N 1 2 341.278 3.670 20 0 EHADLO c1ccc([C@@H]2CSCC[N@H+]2Cc2nc3cccnc3s2)cc1 ZINC000341559468 1022330947 /nfs/dbraw/zinc/33/09/47/1022330947.db2.gz FQHJHJHWJOISEU-HNNXBMFYSA-N 1 2 327.478 3.981 20 0 EHADLO c1ccc([C@@H]2CSCC[N@@H+]2Cc2nc3cccnc3s2)cc1 ZINC000341559468 1022330963 /nfs/dbraw/zinc/33/09/63/1022330963.db2.gz FQHJHJHWJOISEU-HNNXBMFYSA-N 1 2 327.478 3.981 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000084598204 1022333149 /nfs/dbraw/zinc/33/31/49/1022333149.db2.gz WEHYTDURHMAZTK-MRXNPFEDSA-N 1 2 331.485 3.817 20 0 EHADLO Cc1ncoc1C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000894474787 1022363306 /nfs/dbraw/zinc/36/33/06/1022363306.db2.gz XMKIQRMLULAEBI-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO Cc1ncoc1C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000894474787 1022363315 /nfs/dbraw/zinc/36/33/15/1022363315.db2.gz XMKIQRMLULAEBI-UHFFFAOYSA-N 1 2 345.443 3.510 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000581920926 1022396746 /nfs/dbraw/zinc/39/67/46/1022396746.db2.gz DNEPXKGXVQTBKA-GOSISDBHSA-N 1 2 349.438 3.603 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000581920926 1022396763 /nfs/dbraw/zinc/39/67/63/1022396763.db2.gz DNEPXKGXVQTBKA-GOSISDBHSA-N 1 2 349.438 3.603 20 0 EHADLO COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000438115263 1022401357 /nfs/dbraw/zinc/40/13/57/1022401357.db2.gz BWDPLFPTDZLQMM-GFCCVEGCSA-N 1 2 342.374 3.673 20 0 EHADLO C[C@H]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458891753 1022439437 /nfs/dbraw/zinc/43/94/37/1022439437.db2.gz VPCYDAJXINSKRY-KBPBESRZSA-N 1 2 346.862 3.856 20 0 EHADLO Cc1ccc2cc(C[NH2+][C@H](CO)c3c(F)cccc3F)ccc2n1 ZINC000438198326 1022451427 /nfs/dbraw/zinc/45/14/27/1022451427.db2.gz JJOORPVFIIAHOO-GOSISDBHSA-N 1 2 328.362 3.645 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000664826657 1022460558 /nfs/dbraw/zinc/46/05/58/1022460558.db2.gz WAJUVAOGSTVBAW-RTBURBONSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1cccnc1 ZINC000664826657 1022460569 /nfs/dbraw/zinc/46/05/69/1022460569.db2.gz WAJUVAOGSTVBAW-RTBURBONSA-N 1 2 335.451 3.660 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000101543957 1022503886 /nfs/dbraw/zinc/50/38/86/1022503886.db2.gz JWODYIPJBNKYDB-IBGZPJMESA-N 1 2 343.398 3.625 20 0 EHADLO FC(F)Oc1ccc(CCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000517639757 1022516341 /nfs/dbraw/zinc/51/63/41/1022516341.db2.gz OXFUYSJSZYZYPD-UHFFFAOYSA-N 1 2 348.397 3.723 20 0 EHADLO FC(F)Oc1ccc(CCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000517639757 1022516356 /nfs/dbraw/zinc/51/63/56/1022516356.db2.gz OXFUYSJSZYZYPD-UHFFFAOYSA-N 1 2 348.397 3.723 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000607249438 1033063342 /nfs/dbraw/zinc/06/33/42/1033063342.db2.gz AYCBFMREPMSYHS-JKSUJKDBSA-N 1 2 333.476 3.817 20 0 EHADLO CCOc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1OC(F)F ZINC000438362876 1022592924 /nfs/dbraw/zinc/59/29/24/1022592924.db2.gz FILSQEBXCFJHSB-UHFFFAOYSA-N 1 2 340.395 3.702 20 0 EHADLO CCOc1cc(C[N@H+]2CCc3ncsc3C2)ccc1OC(F)F ZINC000438362876 1022592935 /nfs/dbraw/zinc/59/29/35/1022592935.db2.gz FILSQEBXCFJHSB-UHFFFAOYSA-N 1 2 340.395 3.702 20 0 EHADLO CCn1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1 ZINC000891770717 1022613660 /nfs/dbraw/zinc/61/36/60/1022613660.db2.gz MSPMLFGRZNPCAY-RYUDHWBXSA-N 1 2 343.315 3.774 20 0 EHADLO CCc1noc(C)c1C[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894613227 1022617457 /nfs/dbraw/zinc/61/74/57/1022617457.db2.gz IQBZFOOJFOKJIF-UHFFFAOYSA-N 1 2 343.452 3.967 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1OC ZINC000894644956 1022661573 /nfs/dbraw/zinc/66/15/73/1022661573.db2.gz MZEOJMBSXNIRCF-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1OC ZINC000894644956 1022661579 /nfs/dbraw/zinc/66/15/79/1022661579.db2.gz MZEOJMBSXNIRCF-QGZVFWFLSA-N 1 2 343.471 3.956 20 0 EHADLO CCc1occc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000430802246 1022695967 /nfs/dbraw/zinc/69/59/67/1022695967.db2.gz KUBHKBBYDIWPGB-GOSISDBHSA-N 1 2 337.423 3.827 20 0 EHADLO COc1ccc2cc(C[NH+]3CCN(CC(F)(F)F)CC3)ccc2c1 ZINC000506247355 1022708493 /nfs/dbraw/zinc/70/84/93/1022708493.db2.gz RLWUPEMGZIJSJJ-UHFFFAOYSA-N 1 2 338.373 3.528 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838504 1022711381 /nfs/dbraw/zinc/71/13/81/1022711381.db2.gz SLIORJHXPSBNJF-OXQOHEQNSA-N 1 2 337.467 3.684 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838504 1022711397 /nfs/dbraw/zinc/71/13/97/1022711397.db2.gz SLIORJHXPSBNJF-OXQOHEQNSA-N 1 2 337.467 3.684 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838169 1022720057 /nfs/dbraw/zinc/72/00/57/1022720057.db2.gz RBLNTQXJQJXWPV-CGTJXYLNSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838169 1022720072 /nfs/dbraw/zinc/72/00/72/1022720072.db2.gz RBLNTQXJQJXWPV-CGTJXYLNSA-N 1 2 329.488 3.644 20 0 EHADLO OC[C@]1([NH2+]Cc2ncc(-c3cccs3)o2)CCCc2ccccc21 ZINC000440467029 1022721829 /nfs/dbraw/zinc/72/18/29/1022721829.db2.gz LHMHWUQPWQBWJF-LJQANCHMSA-N 1 2 340.448 3.717 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1Oc1ccccc1 ZINC000341641287 1022754503 /nfs/dbraw/zinc/75/45/03/1022754503.db2.gz OENFTAVFKUVDSL-CQSZACIVSA-N 1 2 335.411 3.651 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)n1cc[nH+]c1 ZINC000517944929 1022871371 /nfs/dbraw/zinc/87/13/71/1022871371.db2.gz QOOGZCYMEDCICQ-BLLLJJGKSA-N 1 2 349.381 3.629 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510684913 1022888081 /nfs/dbraw/zinc/88/80/81/1022888081.db2.gz QVHWHGZJNFSDDC-HXUWFJFHSA-N 1 2 345.389 3.962 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510684913 1022888101 /nfs/dbraw/zinc/88/81/01/1022888101.db2.gz QVHWHGZJNFSDDC-HXUWFJFHSA-N 1 2 345.389 3.962 20 0 EHADLO O=C(c1ccccc1Oc1ccncc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000517968579 1022899824 /nfs/dbraw/zinc/89/98/24/1022899824.db2.gz YOYFKQVRLXAHTH-OAHLLOKOSA-N 1 2 348.406 3.617 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000891813958 1022901198 /nfs/dbraw/zinc/90/11/98/1022901198.db2.gz HVESUZXECQOJLU-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000891813958 1022901207 /nfs/dbraw/zinc/90/12/07/1022901207.db2.gz HVESUZXECQOJLU-UHFFFAOYSA-N 1 2 347.484 3.800 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000341666459 1022932906 /nfs/dbraw/zinc/93/29/06/1022932906.db2.gz FVJRYTWHPMFGIJ-HNNXBMFYSA-N 1 2 347.459 3.756 20 0 EHADLO CCc1nc(C)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000341666459 1022932913 /nfs/dbraw/zinc/93/29/13/1022932913.db2.gz FVJRYTWHPMFGIJ-HNNXBMFYSA-N 1 2 347.459 3.756 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnn4c3C[C@H](C)CC4)c2)[nH+]c1C ZINC000843773370 1022974263 /nfs/dbraw/zinc/97/42/63/1022974263.db2.gz ATIJPMVEQXIHLT-GFCCVEGCSA-N 1 2 349.438 3.725 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccsc1Cl ZINC000189349338 1023011703 /nfs/dbraw/zinc/01/17/03/1023011703.db2.gz KHXACGGPONFYKD-UHFFFAOYSA-N 1 2 346.843 3.968 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000162469591 1023086544 /nfs/dbraw/zinc/08/65/44/1023086544.db2.gz FRZTXSNNIADQCH-UHFFFAOYSA-N 1 2 347.484 3.514 20 0 EHADLO Cc1csc([C@H](C)[NH2+]Cc2cc(C)c(Br)cn2)n1 ZINC000623398380 1033111073 /nfs/dbraw/zinc/11/10/73/1033111073.db2.gz DFFPMZGGCSRPEY-JTQLQIEISA-N 1 2 326.263 3.768 20 0 EHADLO CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000295086405 1023162727 /nfs/dbraw/zinc/16/27/27/1023162727.db2.gz RTFJBJIVTMMOIX-CYBMUJFWSA-N 1 2 344.402 3.851 20 0 EHADLO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000295086405 1023162733 /nfs/dbraw/zinc/16/27/33/1023162733.db2.gz RTFJBJIVTMMOIX-CYBMUJFWSA-N 1 2 344.402 3.851 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2ccccc2)c(C)c1 ZINC000441487183 1023188547 /nfs/dbraw/zinc/18/85/47/1023188547.db2.gz GAAQQXNSLUPRTP-HXUWFJFHSA-N 1 2 333.435 3.600 20 0 EHADLO CCCCCOCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441486364 1023194238 /nfs/dbraw/zinc/19/42/38/1023194238.db2.gz BLOAKMJFAMMSFZ-LJQANCHMSA-N 1 2 343.471 3.564 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)[nH]1 ZINC000276842241 1023196346 /nfs/dbraw/zinc/19/63/46/1023196346.db2.gz CEXHUXFRZXICDW-AVGNSLFASA-N 1 2 332.448 3.747 20 0 EHADLO CC(C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426256519 1023206804 /nfs/dbraw/zinc/20/68/04/1023206804.db2.gz MBRMMJYMAKTXOL-RTBURBONSA-N 1 2 340.471 3.847 20 0 EHADLO CC[N@H+](Cc1conc1C)Cc1cc(Br)ccc1F ZINC000507249064 1023207062 /nfs/dbraw/zinc/20/70/62/1023207062.db2.gz ZIPYRISJDCDQRY-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO CC[N@@H+](Cc1conc1C)Cc1cc(Br)ccc1F ZINC000507249064 1023207073 /nfs/dbraw/zinc/20/70/73/1023207073.db2.gz ZIPYRISJDCDQRY-UHFFFAOYSA-N 1 2 327.197 3.907 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001143412643 1023233653 /nfs/dbraw/zinc/23/36/53/1023233653.db2.gz DCWMOKIRFVUGII-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001143412643 1023233657 /nfs/dbraw/zinc/23/36/57/1023233657.db2.gz DCWMOKIRFVUGII-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(CC(C)(C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000459067081 1023233768 /nfs/dbraw/zinc/23/37/68/1023233768.db2.gz ASRXEYRONVYZDG-UHFFFAOYSA-N 1 2 341.455 3.528 20 0 EHADLO Cc1ccc(C[S@](=O)CCc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000548465679 1023385726 /nfs/dbraw/zinc/38/57/26/1023385726.db2.gz YWXDOBSSLVGOQA-OAQYLSRUSA-N 1 2 325.836 3.982 20 0 EHADLO COC(=O)c1cc(Oc2ccccc2)ccc1NCc1c[nH+]cn1C ZINC000610738369 1023397748 /nfs/dbraw/zinc/39/77/48/1023397748.db2.gz KIVYRQXVGHSBRK-UHFFFAOYSA-N 1 2 337.379 3.611 20 0 EHADLO C[C@]1(Br)C[C@H]1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925099 1023425278 /nfs/dbraw/zinc/42/52/78/1023425278.db2.gz DHYMZXWHRDXBBE-HOCLYGCPSA-N 1 2 334.261 3.585 20 0 EHADLO C[C@]1(Br)C[C@H]1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925099 1023425285 /nfs/dbraw/zinc/42/52/85/1023425285.db2.gz DHYMZXWHRDXBBE-HOCLYGCPSA-N 1 2 334.261 3.585 20 0 EHADLO Cc1oc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1C ZINC000163477695 1033132208 /nfs/dbraw/zinc/13/22/08/1033132208.db2.gz YTBSCCXARRKUNO-UHFFFAOYSA-N 1 2 337.427 3.837 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000341844677 1023444470 /nfs/dbraw/zinc/44/44/70/1023444470.db2.gz PMZJODFZBGUAKX-LRYGQEGESA-N 1 2 325.456 3.752 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602762389 1033133633 /nfs/dbraw/zinc/13/36/33/1033133633.db2.gz VINIINFIYKOLFM-OAHLLOKOSA-N 1 2 347.846 3.558 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Cl)c(Br)c2)c(C)c[nH+]1 ZINC000535747989 1023604418 /nfs/dbraw/zinc/60/44/18/1023604418.db2.gz HHJRLXJJWNSOSR-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000535748441 1023604486 /nfs/dbraw/zinc/60/44/86/1023604486.db2.gz LSJGVVOKNBDVIE-LLVKDONJSA-N 1 2 336.357 3.956 20 0 EHADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)c(Br)s1 ZINC000535748104 1023604712 /nfs/dbraw/zinc/60/47/12/1023604712.db2.gz XDFABXBLVJOMKO-UHFFFAOYSA-N 1 2 325.231 3.505 20 0 EHADLO Cc1ccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c(OC(C)(C)C)c1 ZINC000535772496 1023623184 /nfs/dbraw/zinc/62/31/84/1023623184.db2.gz HYYUDRQTKSLJEG-UHFFFAOYSA-N 1 2 341.455 3.928 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c(C)c[nH+]1 ZINC000535773111 1023624150 /nfs/dbraw/zinc/62/41/50/1023624150.db2.gz PDBVGWFEKMMQIW-OAHLLOKOSA-N 1 2 327.428 3.790 20 0 EHADLO CCCCCc1nnc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000144623305 1023738795 /nfs/dbraw/zinc/73/87/95/1023738795.db2.gz QOOXEUKTEBLCSA-HNNXBMFYSA-N 1 2 332.473 3.512 20 0 EHADLO CCN(CC)c1ccc(N[C@H]2CCC[C@@H](c3ccnn3C)C2)c[nH+]1 ZINC000448020885 1023834074 /nfs/dbraw/zinc/83/40/74/1023834074.db2.gz FNYZRVWDPHXLTR-CVEARBPZSA-N 1 2 327.476 3.800 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC000574454080 1033176032 /nfs/dbraw/zinc/17/60/32/1033176032.db2.gz OXJDSHHXBYKHDU-PMACEKPBSA-N 1 2 342.483 3.674 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000192351429 1023995518 /nfs/dbraw/zinc/99/55/18/1023995518.db2.gz MQOCVKZONMDIBI-SJORKVTESA-N 1 2 334.508 3.693 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H](C)C1CCCCC1 ZINC000434401178 1024016596 /nfs/dbraw/zinc/01/65/96/1024016596.db2.gz XXKUKWYWJLOTCG-GPMSIDNRSA-N 1 2 345.487 3.849 20 0 EHADLO O=C(Cc1ccccc1Cl)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513994163 1024022425 /nfs/dbraw/zinc/02/24/25/1024022425.db2.gz JONJEZOXCBEECW-KRWDZBQOSA-N 1 2 349.261 3.709 20 0 EHADLO CCc1cc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)o1 ZINC000513997859 1024025324 /nfs/dbraw/zinc/02/53/24/1024025324.db2.gz WPTHRLVKWRXPBI-MRXNPFEDSA-N 1 2 332.831 3.591 20 0 EHADLO Cc1noc(C[C@H]2CCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C2)n1 ZINC000896847150 1024033954 /nfs/dbraw/zinc/03/39/54/1024033954.db2.gz CAROMYNHEIBUCI-OAHLLOKOSA-N 1 2 343.475 3.874 20 0 EHADLO Cc1nc(CN2CCn3c[nH+]cc3C2)oc1-c1ccc(Cl)cc1 ZINC000647939087 1024036049 /nfs/dbraw/zinc/03/60/49/1024036049.db2.gz AHDFCQJAXOBHQH-UHFFFAOYSA-N 1 2 328.803 3.516 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999286 1024041038 /nfs/dbraw/zinc/04/10/38/1024041038.db2.gz LHOMUEPILBFQJP-IRXDYDNUSA-N 1 2 332.875 3.783 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1F ZINC000514001388 1024044142 /nfs/dbraw/zinc/04/41/42/1024044142.db2.gz JPRJTGLLECTRNX-ACJLOTCBSA-N 1 2 346.833 3.756 20 0 EHADLO C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)CC(C)(C)C ZINC000443505562 1024059974 /nfs/dbraw/zinc/05/99/74/1024059974.db2.gz AAJJHNVNOZAKEJ-CVEARBPZSA-N 1 2 334.508 3.560 20 0 EHADLO C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)CC(C)(C)C ZINC000443505562 1024059993 /nfs/dbraw/zinc/05/99/93/1024059993.db2.gz AAJJHNVNOZAKEJ-CVEARBPZSA-N 1 2 334.508 3.560 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434511497 1024091710 /nfs/dbraw/zinc/09/17/10/1024091710.db2.gz QCJGSUKOJMBQQJ-AWEZNQCLSA-N 1 2 329.469 3.544 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434511497 1024091729 /nfs/dbraw/zinc/09/17/29/1024091729.db2.gz QCJGSUKOJMBQQJ-AWEZNQCLSA-N 1 2 329.469 3.544 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000434498484 1024100792 /nfs/dbraw/zinc/10/07/92/1024100792.db2.gz UBTMYORFOBDZRM-VIFPVBQESA-N 1 2 329.267 3.534 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000550422087 1024113459 /nfs/dbraw/zinc/11/34/59/1024113459.db2.gz UBTKQIUGOLTFJQ-ZYHUDNBSSA-N 1 2 341.274 3.598 20 0 EHADLO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000535908374 1024132971 /nfs/dbraw/zinc/13/29/71/1024132971.db2.gz NZUHXOAKOQEXBM-MNEFBYGVSA-N 1 2 343.446 3.872 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840012081 1024156643 /nfs/dbraw/zinc/15/66/43/1024156643.db2.gz RHOCSWRTZVLPTO-JXFKEZNVSA-N 1 2 347.462 3.540 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840012081 1024156650 /nfs/dbraw/zinc/15/66/50/1024156650.db2.gz RHOCSWRTZVLPTO-JXFKEZNVSA-N 1 2 347.462 3.540 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000151585645 1024189617 /nfs/dbraw/zinc/18/96/17/1024189617.db2.gz CKWZCCFROJQGGY-LBPRGKRZSA-N 1 2 333.819 3.526 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329782621 1024192517 /nfs/dbraw/zinc/19/25/17/1024192517.db2.gz OAIGMNMUHFCLJV-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329782621 1024192522 /nfs/dbraw/zinc/19/25/22/1024192522.db2.gz OAIGMNMUHFCLJV-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C ZINC000324123364 1024222818 /nfs/dbraw/zinc/22/28/18/1024222818.db2.gz ISWGTVNJYHUOMX-HNNXBMFYSA-N 1 2 330.394 3.970 20 0 EHADLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C ZINC000324123364 1024222835 /nfs/dbraw/zinc/22/28/35/1024222835.db2.gz ISWGTVNJYHUOMX-HNNXBMFYSA-N 1 2 330.394 3.970 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1[C@@H]1CCCO1 ZINC000329850651 1024222866 /nfs/dbraw/zinc/22/28/66/1024222866.db2.gz QGTCPXXPXZSZPH-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@H]1[C@@H]1CCCO1 ZINC000329850651 1024222883 /nfs/dbraw/zinc/22/28/83/1024222883.db2.gz QGTCPXXPXZSZPH-HOCLYGCPSA-N 1 2 347.846 3.779 20 0 EHADLO Fc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)c2ncccc12 ZINC000434629003 1024227973 /nfs/dbraw/zinc/22/79/73/1024227973.db2.gz PUUYZZHUVXYZAS-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Fc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)c2ncccc12 ZINC000434629003 1024227985 /nfs/dbraw/zinc/22/79/85/1024227985.db2.gz PUUYZZHUVXYZAS-UHFFFAOYSA-N 1 2 326.346 3.908 20 0 EHADLO Cc1ccccc1OCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342169013 1024289731 /nfs/dbraw/zinc/28/97/31/1024289731.db2.gz PCCZOALOYJKNOP-UHFFFAOYSA-N 1 2 349.434 3.722 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505467681 1024293939 /nfs/dbraw/zinc/29/39/39/1024293939.db2.gz HHQWWASDWLUVOD-YWZLYKJASA-N 1 2 340.442 3.665 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425148550 1024313170 /nfs/dbraw/zinc/31/31/70/1024313170.db2.gz UIUXIDSYPIVUNB-KBAYOESNSA-N 1 2 325.456 3.969 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@]1(C)O ZINC001141769702 1024318103 /nfs/dbraw/zinc/31/81/03/1024318103.db2.gz YUIOACPKFIVHQF-BMIGLBTASA-N 1 2 348.231 3.710 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@]1(C)O ZINC001141769702 1024318118 /nfs/dbraw/zinc/31/81/18/1024318118.db2.gz YUIOACPKFIVHQF-BMIGLBTASA-N 1 2 348.231 3.710 20 0 EHADLO C[N@H+](Cc1cn2ccsc2n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000171076963 1033201944 /nfs/dbraw/zinc/20/19/44/1033201944.db2.gz TXGFLMJZIKCWTJ-UHFFFAOYSA-N 1 2 341.358 3.926 20 0 EHADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000171076963 1033201964 /nfs/dbraw/zinc/20/19/64/1033201964.db2.gz TXGFLMJZIKCWTJ-UHFFFAOYSA-N 1 2 341.358 3.926 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000509984955 1024344178 /nfs/dbraw/zinc/34/41/78/1024344178.db2.gz KDNAXHVRSGWAAU-UHFFFAOYSA-N 1 2 331.847 3.991 20 0 EHADLO CCc1cccc(F)c1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430095507 1024356049 /nfs/dbraw/zinc/35/60/49/1024356049.db2.gz BQFMWCBOCJOKTC-UHFFFAOYSA-N 1 2 344.405 3.791 20 0 EHADLO CCc1cccc(F)c1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430095507 1024356067 /nfs/dbraw/zinc/35/60/67/1024356067.db2.gz BQFMWCBOCJOKTC-UHFFFAOYSA-N 1 2 344.405 3.791 20 0 EHADLO Cc1ccc(F)c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430095281 1024356672 /nfs/dbraw/zinc/35/66/72/1024356672.db2.gz MPZPCPUZBVMNMG-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430095281 1024356687 /nfs/dbraw/zinc/35/66/87/1024356687.db2.gz MPZPCPUZBVMNMG-UHFFFAOYSA-N 1 2 330.378 3.537 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152405625 1024363824 /nfs/dbraw/zinc/36/38/24/1024363824.db2.gz CHWLKOOUYJOCMV-LPHOPBHVSA-N 1 2 337.467 3.533 20 0 EHADLO CCn1ncnc1C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000367463671 1024375948 /nfs/dbraw/zinc/37/59/48/1024375948.db2.gz NKODFJXVQIUNGZ-UHFFFAOYSA-N 1 2 338.480 3.529 20 0 EHADLO CCn1ncnc1C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000367463671 1024375964 /nfs/dbraw/zinc/37/59/64/1024375964.db2.gz NKODFJXVQIUNGZ-UHFFFAOYSA-N 1 2 338.480 3.529 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H](CO)c1ccccc1 ZINC000342202877 1024389322 /nfs/dbraw/zinc/38/93/22/1024389322.db2.gz LDTHLLHNNXNLCY-IBGZPJMESA-N 1 2 341.842 3.691 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H](CO)c1ccccc1 ZINC000342202877 1024389338 /nfs/dbraw/zinc/38/93/38/1024389338.db2.gz LDTHLLHNNXNLCY-IBGZPJMESA-N 1 2 341.842 3.691 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000665148694 1024389831 /nfs/dbraw/zinc/38/98/31/1024389831.db2.gz AFAGHUVBNKFMOL-NXEZZACHSA-N 1 2 343.736 3.835 20 0 EHADLO C[C@H](C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218753 1024443735 /nfs/dbraw/zinc/44/37/35/1024443735.db2.gz IREMXECDJDQNRY-OLZOCXBDSA-N 1 2 329.893 3.546 20 0 EHADLO C[C@H](C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1)CS(C)(=O)=O ZINC000342218753 1024443739 /nfs/dbraw/zinc/44/37/39/1024443739.db2.gz IREMXECDJDQNRY-OLZOCXBDSA-N 1 2 329.893 3.546 20 0 EHADLO Cc1cc(Br)cn2c(CN3Cc4ccccc4C3)c[nH+]c12 ZINC000346145599 1024445844 /nfs/dbraw/zinc/44/58/44/1024445844.db2.gz TYMSIEQZAUTKJB-UHFFFAOYSA-N 1 2 342.240 3.921 20 0 EHADLO CNc1nc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)[nH+]c2ccccc21 ZINC000895387078 1024446160 /nfs/dbraw/zinc/44/61/60/1024446160.db2.gz IFHVQPXCTBOSKU-AWEZNQCLSA-N 1 2 340.324 3.542 20 0 EHADLO CC[C@](C)(NC(=O)Nc1ccn2cc[nH+]c2c1)c1nc(C)cs1 ZINC000280939273 1024455505 /nfs/dbraw/zinc/45/55/05/1024455505.db2.gz HQPQMOIQVJPIBZ-INIZCTEOSA-N 1 2 329.429 3.546 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)n1 ZINC000602856774 1033212537 /nfs/dbraw/zinc/21/25/37/1033212537.db2.gz RNKGGMBHUGWSRT-HIFRSBDPSA-N 1 2 332.473 3.658 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3cccnc3)C2)n1 ZINC000602856774 1033212550 /nfs/dbraw/zinc/21/25/50/1033212550.db2.gz RNKGGMBHUGWSRT-HIFRSBDPSA-N 1 2 332.473 3.658 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c(C)[nH+]1 ZINC000097040039 1024467185 /nfs/dbraw/zinc/46/71/85/1024467185.db2.gz OORAGMWQFPGLHF-UHFFFAOYSA-N 1 2 340.423 3.738 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000278777178 1033214215 /nfs/dbraw/zinc/21/42/15/1033214215.db2.gz XMECLZJMFCWPJR-UHFFFAOYSA-N 1 2 331.466 3.613 20 0 EHADLO CCc1sc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1C ZINC000505558665 1024481289 /nfs/dbraw/zinc/48/12/89/1024481289.db2.gz RLKCCXTUDGGTIV-OAHLLOKOSA-N 1 2 332.444 3.545 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2ccns2)cc(Cl)c1OC ZINC000895453193 1024509709 /nfs/dbraw/zinc/50/97/09/1024509709.db2.gz FETVRZYGBJAARC-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2ccns2)cc(Cl)c1OC ZINC000895453193 1024509719 /nfs/dbraw/zinc/50/97/19/1024509719.db2.gz FETVRZYGBJAARC-UHFFFAOYSA-N 1 2 326.849 3.836 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277301935 1024512429 /nfs/dbraw/zinc/51/24/29/1024512429.db2.gz BDLRSHIACCOEFE-VOIUYBSRSA-N 1 2 343.492 3.563 20 0 EHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277301935 1024512435 /nfs/dbraw/zinc/51/24/35/1024512435.db2.gz BDLRSHIACCOEFE-VOIUYBSRSA-N 1 2 343.492 3.563 20 0 EHADLO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000342241152 1024530702 /nfs/dbraw/zinc/53/07/02/1024530702.db2.gz XPFPLMBWUNDJQV-LJQANCHMSA-N 1 2 348.450 3.752 20 0 EHADLO CC(C)NC(=O)C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474178488 1024532912 /nfs/dbraw/zinc/53/29/12/1024532912.db2.gz QWBPBLBBWFADCR-UHFFFAOYSA-N 1 2 341.293 3.574 20 0 EHADLO CC(C)NC(=O)C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474178488 1024532918 /nfs/dbraw/zinc/53/29/18/1024532918.db2.gz QWBPBLBBWFADCR-UHFFFAOYSA-N 1 2 341.293 3.574 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2cccnc2Oc2cccc(F)c2)nn1C ZINC000282358261 1024546241 /nfs/dbraw/zinc/54/62/41/1024546241.db2.gz VZMKNDIDWJVLAK-AWEZNQCLSA-N 1 2 340.402 3.906 20 0 EHADLO CCCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H](C)c1ccccc1 ZINC000459186166 1024556599 /nfs/dbraw/zinc/55/65/99/1024556599.db2.gz UGBVAQJIRPFPDM-MRXNPFEDSA-N 1 2 328.460 3.536 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000536379020 1024569081 /nfs/dbraw/zinc/56/90/81/1024569081.db2.gz OCBARZJSISZLSE-MRXNPFEDSA-N 1 2 327.472 3.662 20 0 EHADLO C[NH+](C)[C@H](CNCc1ccc(F)c(F)c1F)c1cccc(F)c1 ZINC000657285366 1024575486 /nfs/dbraw/zinc/57/54/86/1024575486.db2.gz ALVXELPNIYWDEC-OAHLLOKOSA-N 1 2 326.337 3.636 20 0 EHADLO C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@H](O)C1 ZINC000114469920 1024587754 /nfs/dbraw/zinc/58/77/54/1024587754.db2.gz BSQKRBIDJFDXQS-PELKAZGASA-N 1 2 327.268 3.852 20 0 EHADLO C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H](O)C1 ZINC000114469920 1024587764 /nfs/dbraw/zinc/58/77/64/1024587764.db2.gz BSQKRBIDJFDXQS-PELKAZGASA-N 1 2 327.268 3.852 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000281043925 1024590770 /nfs/dbraw/zinc/59/07/70/1024590770.db2.gz QGOCNVVSSYGVDY-KRWDZBQOSA-N 1 2 336.395 3.712 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000346281944 1024600049 /nfs/dbraw/zinc/60/00/49/1024600049.db2.gz MFWWKTKXJZSQGO-UHFFFAOYSA-N 1 2 334.423 3.536 20 0 EHADLO O=C(c1occc1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022836464 1024602694 /nfs/dbraw/zinc/60/26/94/1024602694.db2.gz SGDHGBPROAYRCG-UHFFFAOYSA-N 1 2 346.430 3.905 20 0 EHADLO C[C@H](CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000156851425 1024616794 /nfs/dbraw/zinc/61/67/94/1024616794.db2.gz YDRPFJKRBVZELU-CYBMUJFWSA-N 1 2 329.469 3.653 20 0 EHADLO C[C@H](CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000156851425 1024616807 /nfs/dbraw/zinc/61/68/07/1024616807.db2.gz YDRPFJKRBVZELU-CYBMUJFWSA-N 1 2 329.469 3.653 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000435096346 1024617594 /nfs/dbraw/zinc/61/75/94/1024617594.db2.gz VTZYUELOROJXMA-JKSUJKDBSA-N 1 2 349.544 3.638 20 0 EHADLO CC(C)[C@@H](C)CC(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000435096346 1024617600 /nfs/dbraw/zinc/61/76/00/1024617600.db2.gz VTZYUELOROJXMA-JKSUJKDBSA-N 1 2 349.544 3.638 20 0 EHADLO CSCc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000727595985 1024622479 /nfs/dbraw/zinc/62/24/79/1024622479.db2.gz VXXDTVQNTFBHEV-INIZCTEOSA-N 1 2 346.500 3.983 20 0 EHADLO Cc1ccc2c(c1)CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000425278376 1024626683 /nfs/dbraw/zinc/62/66/83/1024626683.db2.gz GQHHYZWMGNGABW-FQEVSTJZSA-N 1 2 345.446 3.825 20 0 EHADLO CCc1cnc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000346354568 1024649571 /nfs/dbraw/zinc/64/95/71/1024649571.db2.gz NVQQDLZOFFALJD-UHFFFAOYSA-N 1 2 342.464 3.766 20 0 EHADLO CCc1cnc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)s1 ZINC000346354568 1024649578 /nfs/dbraw/zinc/64/95/78/1024649578.db2.gz NVQQDLZOFFALJD-UHFFFAOYSA-N 1 2 342.464 3.766 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)oc1C ZINC000185642546 1024655231 /nfs/dbraw/zinc/65/52/31/1024655231.db2.gz GNFXBZONWVVGKF-VIFPVBQESA-N 1 2 330.354 3.518 20 0 EHADLO C[C@H]1CCCC[C@H]1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614673362 1024658285 /nfs/dbraw/zinc/65/82/85/1024658285.db2.gz HLDBPSUVYVIXSF-IRXDYDNUSA-N 1 2 349.544 3.824 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614384 1024658341 /nfs/dbraw/zinc/65/83/41/1024658341.db2.gz WGGPXUOXRRMLSM-ZFWWWQNUSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614384 1024658348 /nfs/dbraw/zinc/65/83/48/1024658348.db2.gz WGGPXUOXRRMLSM-ZFWWWQNUSA-N 1 2 333.863 3.740 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000346368781 1024685831 /nfs/dbraw/zinc/68/58/31/1024685831.db2.gz VOBVHOPTJJUIPJ-UHFFFAOYSA-N 1 2 332.816 3.676 20 0 EHADLO Cc1cc2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)oc2cc1C ZINC000343355428 1024692736 /nfs/dbraw/zinc/69/27/36/1024692736.db2.gz WGFCWVUUPISTSE-UHFFFAOYSA-N 1 2 346.390 3.942 20 0 EHADLO O=C(C/C=C/c1ccccc1F)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343355482 1024692951 /nfs/dbraw/zinc/69/29/51/1024692951.db2.gz WOMLZMXSJUQKMW-HWKANZROSA-N 1 2 336.370 3.508 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nccn1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000895660201 1024699078 /nfs/dbraw/zinc/69/90/78/1024699078.db2.gz NSCHNCACDQRCBP-OAHLLOKOSA-N 1 2 340.254 3.738 20 0 EHADLO CC(C)(C)[C@@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)CS1 ZINC000277343000 1024704670 /nfs/dbraw/zinc/70/46/70/1024704670.db2.gz VDXHJWPRYUTBIG-KBPBESRZSA-N 1 2 326.531 3.639 20 0 EHADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000425305795 1024715891 /nfs/dbraw/zinc/71/58/91/1024715891.db2.gz BIFCXVSCKKZABK-KZNAEPCWSA-N 1 2 337.467 3.969 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)c1cncs1 ZINC000897931848 1033231150 /nfs/dbraw/zinc/23/11/50/1033231150.db2.gz DBSBRABWWZHDQW-SECBINFHSA-N 1 2 342.823 3.832 20 0 EHADLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705342 1024744636 /nfs/dbraw/zinc/74/46/36/1024744636.db2.gz QRMGHRQCLRWEBO-HKUYNNGSSA-N 1 2 343.515 3.893 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(-c2ccccc2)o1 ZINC000342296889 1024747522 /nfs/dbraw/zinc/74/75/22/1024747522.db2.gz QRQGCTBAVXVAPV-UHFFFAOYSA-N 1 2 347.418 3.872 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2cccc(F)c2F)n1 ZINC000343550565 1024752595 /nfs/dbraw/zinc/75/25/95/1024752595.db2.gz ATBNTRNZSJRSGX-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2cccc(F)c2F)n1 ZINC000343550565 1024752603 /nfs/dbraw/zinc/75/26/03/1024752603.db2.gz ATBNTRNZSJRSGX-NSHDSACASA-N 1 2 341.427 3.836 20 0 EHADLO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000346471861 1024758441 /nfs/dbraw/zinc/75/84/41/1024758441.db2.gz DGHABUGUYWYKEU-FQEVSTJZSA-N 1 2 336.414 3.561 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277363790 1024759402 /nfs/dbraw/zinc/75/94/02/1024759402.db2.gz FARKREWVCRKRFR-UPCLLVRISA-N 1 2 343.492 3.705 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277363790 1024759411 /nfs/dbraw/zinc/75/94/11/1024759411.db2.gz FARKREWVCRKRFR-UPCLLVRISA-N 1 2 343.492 3.705 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000346461528 1024772216 /nfs/dbraw/zinc/77/22/16/1024772216.db2.gz SJRLXGVORIOQRX-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000346461528 1024772230 /nfs/dbraw/zinc/77/22/30/1024772230.db2.gz SJRLXGVORIOQRX-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccccc2OC(C)C)c[nH+]1 ZINC000895742992 1024780989 /nfs/dbraw/zinc/78/09/89/1024780989.db2.gz BZOHYWVLNNNNQO-OAHLLOKOSA-N 1 2 329.444 3.591 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@H](C)c3c(F)cccc3Cl)cc(=O)n12 ZINC000342307536 1024792671 /nfs/dbraw/zinc/79/26/71/1024792671.db2.gz SCSDITYJSQUQKJ-GFCCVEGCSA-N 1 2 345.805 3.646 20 0 EHADLO O=C(C[C@@H]1C=CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435332140 1024797772 /nfs/dbraw/zinc/79/77/72/1024797772.db2.gz CXWIATXJBZSGTF-MRXNPFEDSA-N 1 2 343.858 3.922 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000474353931 1024802997 /nfs/dbraw/zinc/80/29/97/1024802997.db2.gz NTFBUEXAJRIENF-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000474353931 1024803012 /nfs/dbraw/zinc/80/30/12/1024803012.db2.gz NTFBUEXAJRIENF-GOSISDBHSA-N 1 2 330.378 3.876 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346493475 1024803959 /nfs/dbraw/zinc/80/39/59/1024803959.db2.gz PZBKXSKVHRUQPY-IBGZPJMESA-N 1 2 336.414 3.561 20 0 EHADLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)s1 ZINC000346501381 1024814791 /nfs/dbraw/zinc/81/47/91/1024814791.db2.gz ZELILKOPHBTICB-HNNXBMFYSA-N 1 2 340.395 3.626 20 0 EHADLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)s1 ZINC000346501381 1024814810 /nfs/dbraw/zinc/81/48/10/1024814810.db2.gz ZELILKOPHBTICB-HNNXBMFYSA-N 1 2 340.395 3.626 20 0 EHADLO CC[C@H](C)CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000508011556 1024826493 /nfs/dbraw/zinc/82/64/93/1024826493.db2.gz FKLKPYKLQZTQET-HNNXBMFYSA-N 1 2 329.444 3.548 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000508008029 1024827425 /nfs/dbraw/zinc/82/74/25/1024827425.db2.gz ICGJOKCNUUNDRO-BGGTVIOKSA-N 1 2 347.871 3.913 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000508008029 1024827436 /nfs/dbraw/zinc/82/74/36/1024827436.db2.gz ICGJOKCNUUNDRO-BGGTVIOKSA-N 1 2 347.871 3.913 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000548626352 1024860916 /nfs/dbraw/zinc/86/09/16/1024860916.db2.gz INHOXCICCOGUHZ-HNNXBMFYSA-N 1 2 328.437 3.843 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425367248 1024878192 /nfs/dbraw/zinc/87/81/92/1024878192.db2.gz SAWNIIWIGQSPBN-IAGOWNOFSA-N 1 2 333.863 3.599 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000425367248 1024878205 /nfs/dbraw/zinc/87/82/05/1024878205.db2.gz SAWNIIWIGQSPBN-IAGOWNOFSA-N 1 2 333.863 3.599 20 0 EHADLO CC(C)c1ccc([C@H]2CCCC[N@@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000281285116 1024880459 /nfs/dbraw/zinc/88/04/59/1024880459.db2.gz MHYQVOJYQZZHDX-GOSISDBHSA-N 1 2 340.471 3.659 20 0 EHADLO CC(C)c1ccc([C@H]2CCCC[N@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000281285116 1024880472 /nfs/dbraw/zinc/88/04/72/1024880472.db2.gz MHYQVOJYQZZHDX-GOSISDBHSA-N 1 2 340.471 3.659 20 0 EHADLO Cc1ccccc1[C@@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2C ZINC000435433861 1024903114 /nfs/dbraw/zinc/90/31/14/1024903114.db2.gz PMGBTJVNSVOXFJ-CYBMUJFWSA-N 1 2 335.333 3.777 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)cc1 ZINC000895851937 1024911734 /nfs/dbraw/zinc/91/17/34/1024911734.db2.gz ZWOOLVNUNPPUFP-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3c(C)nn(C(C)C)c3C)CCO2)cc1 ZINC000895851937 1024911741 /nfs/dbraw/zinc/91/17/41/1024911741.db2.gz ZWOOLVNUNPPUFP-HXUWFJFHSA-N 1 2 343.471 3.663 20 0 EHADLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)CCC1CC1 ZINC000508124034 1024915474 /nfs/dbraw/zinc/91/54/74/1024915474.db2.gz ARLRBXBZZOTLLC-UHFFFAOYSA-N 1 2 336.501 3.917 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000514942121 1024918640 /nfs/dbraw/zinc/91/86/40/1024918640.db2.gz RHPUXBNMFPLBDG-INMHGKMJSA-N 1 2 329.444 3.989 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000505698660 1024938956 /nfs/dbraw/zinc/93/89/56/1024938956.db2.gz ADSFBQFFIWMHPT-RBUKOAKNSA-N 1 2 325.456 3.876 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4cnc5ccsc5c4)no3)c2)c[nH+]1 ZINC000346607308 1024947485 /nfs/dbraw/zinc/94/74/85/1024947485.db2.gz OTFGRFWGTFLXCN-UHFFFAOYSA-N 1 2 346.375 3.594 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000346611921 1024952395 /nfs/dbraw/zinc/95/23/95/1024952395.db2.gz XZXJPCVENFHOAB-QGZVFWFLSA-N 1 2 328.456 3.846 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000346611921 1024952403 /nfs/dbraw/zinc/95/24/03/1024952403.db2.gz XZXJPCVENFHOAB-QGZVFWFLSA-N 1 2 328.456 3.846 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)ccc2[nH+]1 ZINC000346635421 1024976752 /nfs/dbraw/zinc/97/67/52/1024976752.db2.gz OCVDOGLDVKHVBQ-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO Cn1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(-c2ccc(F)cc2)n1 ZINC000897943170 1033253641 /nfs/dbraw/zinc/25/36/41/1033253641.db2.gz YFWDNFPWSABYOS-UHFFFAOYSA-N 1 2 342.418 3.802 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(COc2ccccc2)c1 ZINC000892148709 1025009741 /nfs/dbraw/zinc/00/97/41/1025009741.db2.gz KCHJRXTWYMPAGF-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(COc2ccccc2)c1 ZINC000892148709 1025009752 /nfs/dbraw/zinc/00/97/52/1025009752.db2.gz KCHJRXTWYMPAGF-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408869 1025012804 /nfs/dbraw/zinc/01/28/04/1025012804.db2.gz NZEMXSKYCLBRKE-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000281408869 1025012823 /nfs/dbraw/zinc/01/28/23/1025012823.db2.gz NZEMXSKYCLBRKE-WCQYABFASA-N 1 2 345.270 3.821 20 0 EHADLO CCOc1cc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000277418511 1025030065 /nfs/dbraw/zinc/03/00/65/1025030065.db2.gz MKTRRBQPEMAMBQ-QWHCGFSZSA-N 1 2 332.448 3.576 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)CCn2cc[nH+]c2)C(C)C)cc1 ZINC000346733417 1025037199 /nfs/dbraw/zinc/03/71/99/1025037199.db2.gz QDTHXFSHVFCGCF-FQEVSTJZSA-N 1 2 327.472 3.985 20 0 EHADLO Fc1ccccc1[C@H]1C[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000435599141 1025040443 /nfs/dbraw/zinc/04/04/43/1025040443.db2.gz RUNYGGYJGVYSON-HDJSIYSDSA-N 1 2 344.459 3.527 20 0 EHADLO Fc1ccccc1[C@H]1C[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000435599141 1025040453 /nfs/dbraw/zinc/04/04/53/1025040453.db2.gz RUNYGGYJGVYSON-HDJSIYSDSA-N 1 2 344.459 3.527 20 0 EHADLO O=C(Nc1ccc(OCC2CC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346729853 1025044114 /nfs/dbraw/zinc/04/41/14/1025044114.db2.gz CGAWMGGDASRRDU-UHFFFAOYSA-N 1 2 347.418 3.973 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@]1=O ZINC000277425669 1025065910 /nfs/dbraw/zinc/06/59/10/1025065910.db2.gz IKDYYQQNMHKCTQ-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[S@@]1=O ZINC000277425669 1025065917 /nfs/dbraw/zinc/06/59/17/1025065917.db2.gz IKDYYQQNMHKCTQ-DMZKTXOQSA-N 1 2 337.872 3.943 20 0 EHADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)o1 ZINC000346736306 1025071125 /nfs/dbraw/zinc/07/11/25/1025071125.db2.gz VYFGGFFBPDGHOS-OAHLLOKOSA-N 1 2 345.406 3.773 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 ZINC000346788799 1025101391 /nfs/dbraw/zinc/10/13/91/1025101391.db2.gz FUMZLNSFSBZVAX-CQSZACIVSA-N 1 2 332.492 3.524 20 0 EHADLO Cc1cccn2c(CNc3cc(NC(=O)N(C)C)ccc3C)c[nH+]c12 ZINC000435749916 1025110284 /nfs/dbraw/zinc/11/02/84/1025110284.db2.gz LXUKLJDMBYBYNX-UHFFFAOYSA-N 1 2 337.427 3.657 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@H](Cc2ccccc2)C(F)(F)F)[nH+]1 ZINC000515261926 1025126785 /nfs/dbraw/zinc/12/67/85/1025126785.db2.gz LTWBPAFLQNTYRJ-ZDUSSCGKSA-N 1 2 334.345 3.521 20 0 EHADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000346791564 1025136751 /nfs/dbraw/zinc/13/67/51/1025136751.db2.gz ZUOWTCFOSJMTQV-UHFFFAOYSA-N 1 2 343.374 3.875 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)cs1 ZINC000281535162 1025144219 /nfs/dbraw/zinc/14/42/19/1025144219.db2.gz IKHPVIZDBWPXEK-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCc3nncn3-c3ccccc3)c2c1 ZINC000435784168 1025148428 /nfs/dbraw/zinc/14/84/28/1025148428.db2.gz AUEHLPNNAHLMHA-UHFFFAOYSA-N 1 2 346.390 3.712 20 0 EHADLO COc1ccncc1-c1noc([C@@H]2CCC[C@H](c3ccccc3)[NH2+]2)n1 ZINC001211886162 1025158238 /nfs/dbraw/zinc/15/82/38/1025158238.db2.gz XWBRMTKPTWDEJX-CVEARBPZSA-N 1 2 336.395 3.696 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000515297156 1025159114 /nfs/dbraw/zinc/15/91/14/1025159114.db2.gz MWXGIBULPLRQEE-QGZVFWFLSA-N 1 2 342.418 3.515 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000515297156 1025159118 /nfs/dbraw/zinc/15/91/18/1025159118.db2.gz MWXGIBULPLRQEE-QGZVFWFLSA-N 1 2 342.418 3.515 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000515333845 1025176211 /nfs/dbraw/zinc/17/62/11/1025176211.db2.gz DMAAHRNGUILSGT-RHSMWYFYSA-N 1 2 342.439 3.928 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000515333845 1025176220 /nfs/dbraw/zinc/17/62/20/1025176220.db2.gz DMAAHRNGUILSGT-RHSMWYFYSA-N 1 2 342.439 3.928 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000515333847 1025176767 /nfs/dbraw/zinc/17/67/67/1025176767.db2.gz DMAAHRNGUILSGT-YOEHRIQHSA-N 1 2 342.439 3.928 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000515333847 1025176774 /nfs/dbraw/zinc/17/67/74/1025176774.db2.gz DMAAHRNGUILSGT-YOEHRIQHSA-N 1 2 342.439 3.928 20 0 EHADLO Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000521051583 1025183377 /nfs/dbraw/zinc/18/33/77/1025183377.db2.gz FGBBLRGLKUNXFF-GFCCVEGCSA-N 1 2 341.333 3.722 20 0 EHADLO CC(C)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000435862283 1025184012 /nfs/dbraw/zinc/18/40/12/1025184012.db2.gz YNEVZOUOCJHHLT-SFHVURJKSA-N 1 2 344.503 3.650 20 0 EHADLO O=C(CC[N@@H+]1Cc2cccnc2C1)Nc1cc(Cl)ccc1Cl ZINC000515348897 1025184261 /nfs/dbraw/zinc/18/42/61/1025184261.db2.gz RMLHUSHCVSVEBT-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(CC[N@H+]1Cc2cccnc2C1)Nc1cc(Cl)ccc1Cl ZINC000515348897 1025184268 /nfs/dbraw/zinc/18/42/68/1025184268.db2.gz RMLHUSHCVSVEBT-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522735721 1025187224 /nfs/dbraw/zinc/18/72/24/1025187224.db2.gz YGTCNZVXHYIBKF-UXHICEINSA-N 1 2 331.419 3.938 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(C(F)(F)c2ccc(C(C)(C)C)cc2)n1 ZINC000896163511 1025191005 /nfs/dbraw/zinc/19/10/05/1025191005.db2.gz AYQMZTZUESXGAM-UHFFFAOYSA-N 1 2 346.381 3.832 20 0 EHADLO COC(=O)c1cnc(Nc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)nc1 ZINC000515392255 1025202739 /nfs/dbraw/zinc/20/27/39/1025202739.db2.gz NQRSAWHGFYWUEE-CQSZACIVSA-N 1 2 340.427 3.694 20 0 EHADLO COC(=O)c1cnc(Nc2ccc([N@H+]3CCCC[C@H]3C)cc2C)nc1 ZINC000515392255 1025202743 /nfs/dbraw/zinc/20/27/43/1025202743.db2.gz NQRSAWHGFYWUEE-CQSZACIVSA-N 1 2 340.427 3.694 20 0 EHADLO Cc1csc([C@@H](C)NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000515377188 1025206661 /nfs/dbraw/zinc/20/66/61/1025206661.db2.gz IIPPSINNDJDATH-HIFRSBDPSA-N 1 2 340.452 3.574 20 0 EHADLO CCCn1c(C)c(C(=O)Nc2cc[nH+]c(C)c2)c2cc(OC)ccc21 ZINC000346850367 1025220383 /nfs/dbraw/zinc/22/03/83/1025220383.db2.gz ZHUHSGAXHLHCJE-UHFFFAOYSA-N 1 2 337.423 3.746 20 0 EHADLO CC[C@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442234414 1025228262 /nfs/dbraw/zinc/22/82/62/1025228262.db2.gz ALXWLJBTWQTBJJ-FUHWJXTLSA-N 1 2 328.460 3.681 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000285108175 1025251597 /nfs/dbraw/zinc/25/15/97/1025251597.db2.gz NXWHDVLJEUSLKM-SFHVURJKSA-N 1 2 325.387 3.841 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000285108175 1025251610 /nfs/dbraw/zinc/25/16/10/1025251610.db2.gz NXWHDVLJEUSLKM-SFHVURJKSA-N 1 2 325.387 3.841 20 0 EHADLO O=C(CCc1ccnc2ccccc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000346869064 1025261655 /nfs/dbraw/zinc/26/16/55/1025261655.db2.gz RWUKULFTLNMREW-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO CC(C)c1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000474660385 1025300648 /nfs/dbraw/zinc/30/06/48/1025300648.db2.gz LEIVFRJPKPEVNH-YFHOEESVSA-N 1 2 349.478 3.676 20 0 EHADLO CC[N@H+](C)[C@H](c1nc(CC2CCC(OC)CC2)no1)c1ccccc1 ZINC000346926890 1025318485 /nfs/dbraw/zinc/31/84/85/1025318485.db2.gz CFNFYVNHDMIVGW-KVWWFHCMSA-N 1 2 343.471 3.858 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc(CC2CCC(OC)CC2)no1)c1ccccc1 ZINC000346926890 1025318496 /nfs/dbraw/zinc/31/84/96/1025318496.db2.gz CFNFYVNHDMIVGW-KVWWFHCMSA-N 1 2 343.471 3.858 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(CC2CCC(OC)CC2)no1)c1ccccc1 ZINC000346926888 1025319071 /nfs/dbraw/zinc/31/90/71/1025319071.db2.gz CFNFYVNHDMIVGW-GXOAENINSA-N 1 2 343.471 3.858 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(CC2CCC(OC)CC2)no1)c1ccccc1 ZINC000346926888 1025319077 /nfs/dbraw/zinc/31/90/77/1025319077.db2.gz CFNFYVNHDMIVGW-GXOAENINSA-N 1 2 343.471 3.858 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311372 1025319368 /nfs/dbraw/zinc/31/93/68/1025319368.db2.gz BZMDAOGZWUTJKC-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1)c1ccc2ccccc2c1 ZINC000521311372 1025319377 /nfs/dbraw/zinc/31/93/77/1025319377.db2.gz BZMDAOGZWUTJKC-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000346931917 1025324531 /nfs/dbraw/zinc/32/45/31/1025324531.db2.gz JYEGLSBUDLSVKK-UHFFFAOYSA-N 1 2 342.487 3.751 20 0 EHADLO OC[C@]1([NH2+]Cc2cc(Cl)ccc2Cl)CCOc2ccccc21 ZINC000281667593 1025349399 /nfs/dbraw/zinc/34/93/99/1025349399.db2.gz LIEXHQQPEWLTMD-QGZVFWFLSA-N 1 2 338.234 3.753 20 0 EHADLO Cc1csc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c12 ZINC000505757991 1025384334 /nfs/dbraw/zinc/38/43/34/1025384334.db2.gz WJFMEGDHDLTYTM-UHFFFAOYSA-N 1 2 339.399 3.937 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346988218 1025390727 /nfs/dbraw/zinc/39/07/27/1025390727.db2.gz RSFUAIBNOKHQDZ-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346988218 1025390741 /nfs/dbraw/zinc/39/07/41/1025390741.db2.gz RSFUAIBNOKHQDZ-KRWDZBQOSA-N 1 2 329.831 3.819 20 0 EHADLO COCCCC[C@@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000425476749 1025415496 /nfs/dbraw/zinc/41/54/96/1025415496.db2.gz LTNDNLDFSFIGDV-CYBMUJFWSA-N 1 2 325.359 3.655 20 0 EHADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036683 1025421175 /nfs/dbraw/zinc/42/11/75/1025421175.db2.gz RSFRDRCZDYLWFP-VQIMIIECSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000347036683 1025421180 /nfs/dbraw/zinc/42/11/80/1025421180.db2.gz RSFRDRCZDYLWFP-VQIMIIECSA-N 1 2 343.492 3.561 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](CC)Cc1ccccc1 ZINC000574496916 1033282692 /nfs/dbraw/zinc/28/26/92/1033282692.db2.gz GCBBAIIOHPNQMI-IBGZPJMESA-N 1 2 341.499 3.953 20 0 EHADLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347079591 1025501493 /nfs/dbraw/zinc/50/14/93/1025501493.db2.gz JBORDGMOTOAVFY-YWZLYKJASA-N 1 2 331.419 3.595 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C2CC2)c1 ZINC000451111784 1025548499 /nfs/dbraw/zinc/54/84/99/1025548499.db2.gz HELZXQPVKMMKOL-SNVBAGLBSA-N 1 2 325.334 3.903 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000665453856 1025554982 /nfs/dbraw/zinc/55/49/82/1025554982.db2.gz VQDLBBLDPGLOSQ-KRWDZBQOSA-N 1 2 330.476 3.802 20 0 EHADLO O=C(N[C@H]1CCCC12CCCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000665453856 1025554989 /nfs/dbraw/zinc/55/49/89/1025554989.db2.gz VQDLBBLDPGLOSQ-KRWDZBQOSA-N 1 2 330.476 3.802 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442880158 1025559567 /nfs/dbraw/zinc/55/95/67/1025559567.db2.gz KYWQULDVVCSJGZ-LLVKDONJSA-N 1 2 344.406 3.957 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442880158 1025559576 /nfs/dbraw/zinc/55/95/76/1025559576.db2.gz KYWQULDVVCSJGZ-LLVKDONJSA-N 1 2 344.406 3.957 20 0 EHADLO CC[C@]1(C)C[N@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000442888864 1025570723 /nfs/dbraw/zinc/57/07/23/1025570723.db2.gz BYKNOHPABQOOSH-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@]1(C)C[N@@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000442888864 1025570731 /nfs/dbraw/zinc/57/07/31/1025570731.db2.gz BYKNOHPABQOOSH-QGZVFWFLSA-N 1 2 349.272 3.998 20 0 EHADLO O=C(CC[C@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277512819 1025571654 /nfs/dbraw/zinc/57/16/54/1025571654.db2.gz FXKNNCHQAGFZKU-GOSISDBHSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000329171557 1025644443 /nfs/dbraw/zinc/64/44/43/1025644443.db2.gz KOHMBXOGOJWPPF-LSDHHAIUSA-N 1 2 332.835 3.578 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000443017194 1025666782 /nfs/dbraw/zinc/66/67/82/1025666782.db2.gz YUDZPZXZJSDWQH-KRWDZBQOSA-N 1 2 344.503 3.840 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612914 1025709151 /nfs/dbraw/zinc/70/91/51/1025709151.db2.gz LLBHHAWUKHXIQF-DGCLKSJQSA-N 1 2 343.349 3.751 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612914 1025709165 /nfs/dbraw/zinc/70/91/65/1025709165.db2.gz LLBHHAWUKHXIQF-DGCLKSJQSA-N 1 2 343.349 3.751 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000081317128 1025748492 /nfs/dbraw/zinc/74/84/92/1025748492.db2.gz YXSJKNNITAUXRG-GDBMZVCRSA-N 1 2 339.464 3.685 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451286210 1025766884 /nfs/dbraw/zinc/76/68/84/1025766884.db2.gz CNLGBTBXEMFCOH-INIZCTEOSA-N 1 2 331.504 3.998 20 0 EHADLO c1nn([C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)c2ccccc12 ZINC000329355223 1025774635 /nfs/dbraw/zinc/77/46/35/1025774635.db2.gz VQZYNUIEXGWYPB-INIZCTEOSA-N 1 2 337.427 3.524 20 0 EHADLO c1nn([C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)c2ccccc12 ZINC000329355223 1025774647 /nfs/dbraw/zinc/77/46/47/1025774647.db2.gz VQZYNUIEXGWYPB-INIZCTEOSA-N 1 2 337.427 3.524 20 0 EHADLO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474892919 1025777402 /nfs/dbraw/zinc/77/74/02/1025777402.db2.gz BDDWJUWZBPYPLL-HZSPNIEDSA-N 1 2 337.460 3.516 20 0 EHADLO C[C@@H]1[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1(F)F ZINC000425578150 1025803630 /nfs/dbraw/zinc/80/36/30/1025803630.db2.gz VOBDXCMFWHUCRV-ABAIWWIYSA-N 1 2 331.366 3.726 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Cl)cc2F)c1C ZINC000051583744 1025806841 /nfs/dbraw/zinc/80/68/41/1025806841.db2.gz VDKXEYIIAKOHNJ-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000474903604 1025832600 /nfs/dbraw/zinc/83/26/00/1025832600.db2.gz XINXPKNUGIEIJY-ZWKOTPCHSA-N 1 2 329.488 3.905 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000684820720 1025834792 /nfs/dbraw/zinc/83/47/92/1025834792.db2.gz MYAYSMGIFGUSAD-UHFFFAOYSA-N 1 2 338.754 3.895 20 0 EHADLO CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000474905055 1025836745 /nfs/dbraw/zinc/83/67/45/1025836745.db2.gz FBMWEAPQQGRLMU-KSSFIOAISA-N 1 2 341.455 3.886 20 0 EHADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1 ZINC000530470913 1025880138 /nfs/dbraw/zinc/88/01/38/1025880138.db2.gz LZLJROIEYOUXEX-OAGGEKHMSA-N 1 2 341.455 3.877 20 0 EHADLO O=C(c1ccc(C2CC2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561462 1025893514 /nfs/dbraw/zinc/89/35/14/1025893514.db2.gz VXMPGVNQQOXIJB-UHFFFAOYSA-N 1 2 326.465 3.584 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)s1 ZINC000522034781 1025898130 /nfs/dbraw/zinc/89/81/30/1025898130.db2.gz GKIPJTWRURRVTC-MSOLQXFVSA-N 1 2 347.455 3.934 20 0 EHADLO Fc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)s1 ZINC000522034781 1025898145 /nfs/dbraw/zinc/89/81/45/1025898145.db2.gz GKIPJTWRURRVTC-MSOLQXFVSA-N 1 2 347.455 3.934 20 0 EHADLO c1[nH]c2ncccc2c1C1=CC[N@H+](Cc2nc(C3CCC3)no2)CC1 ZINC000639522687 1025905609 /nfs/dbraw/zinc/90/56/09/1025905609.db2.gz RSTVBKUGFUVLQM-UHFFFAOYSA-N 1 2 335.411 3.503 20 0 EHADLO c1[nH]c2ncccc2c1C1=CC[N@@H+](Cc2nc(C3CCC3)no2)CC1 ZINC000639522687 1025905624 /nfs/dbraw/zinc/90/56/24/1025905624.db2.gz RSTVBKUGFUVLQM-UHFFFAOYSA-N 1 2 335.411 3.503 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2c(Cl)cccc2Cl)[nH+]c1C ZINC000896908119 1025907423 /nfs/dbraw/zinc/90/74/23/1025907423.db2.gz VYUJRGACPBGGTN-UHFFFAOYSA-N 1 2 326.227 3.582 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000121842021 1025910947 /nfs/dbraw/zinc/91/09/47/1025910947.db2.gz KPNATHXNYDZGNT-NPMXOYFQSA-N 1 2 346.477 3.613 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(F)cc2O)cc1 ZINC000436591047 1025929757 /nfs/dbraw/zinc/92/97/57/1025929757.db2.gz VHHCQZZVFMMKKH-LBPRGKRZSA-N 1 2 339.370 3.516 20 0 EHADLO C[C@]1(CO)CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141910165 1025933410 /nfs/dbraw/zinc/93/34/10/1025933410.db2.gz KVTGHCAMOMYEAV-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO C[C@]1(CO)CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141910165 1025933419 /nfs/dbraw/zinc/93/34/19/1025933419.db2.gz KVTGHCAMOMYEAV-HNNXBMFYSA-N 1 2 348.231 3.712 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)Nc1ccccn1 ZINC000639529895 1025936327 /nfs/dbraw/zinc/93/63/27/1025936327.db2.gz NBXDTPBEHKECMC-GOSISDBHSA-N 1 2 334.423 3.729 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)Nc1ccccn1 ZINC000639529895 1025936344 /nfs/dbraw/zinc/93/63/44/1025936344.db2.gz NBXDTPBEHKECMC-GOSISDBHSA-N 1 2 334.423 3.729 20 0 EHADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000896733726 1025938760 /nfs/dbraw/zinc/93/87/60/1025938760.db2.gz NQOMQMGBVAEQSH-HNNXBMFYSA-N 1 2 347.894 3.837 20 0 EHADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000896733726 1025938776 /nfs/dbraw/zinc/93/87/76/1025938776.db2.gz NQOMQMGBVAEQSH-HNNXBMFYSA-N 1 2 347.894 3.837 20 0 EHADLO CCCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(Cl)c1 ZINC000896913125 1025963606 /nfs/dbraw/zinc/96/36/06/1025963606.db2.gz ADUIADLTGICUSR-UHFFFAOYSA-N 1 2 335.835 3.789 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)ccc2[nH+]1 ZINC000329531748 1025968398 /nfs/dbraw/zinc/96/83/98/1025968398.db2.gz JNBZAQJSLYCKEE-KRWDZBQOSA-N 1 2 335.407 3.789 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCc2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896914072 1025973570 /nfs/dbraw/zinc/97/35/70/1025973570.db2.gz ORFCEAXULYPAMF-UHFFFAOYSA-N 1 2 339.361 3.684 20 0 EHADLO ClC1(Cl)C[C@@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000896797557 1026037430 /nfs/dbraw/zinc/03/74/30/1026037430.db2.gz HSUAZHYVMWZBQJ-GFCCVEGCSA-N 1 2 335.194 3.643 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000042297711 1026057453 /nfs/dbraw/zinc/05/74/53/1026057453.db2.gz ZQFSVKKPTDEXGM-OAHLLOKOSA-N 1 2 326.440 3.717 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000042297711 1026057459 /nfs/dbraw/zinc/05/74/59/1026057459.db2.gz ZQFSVKKPTDEXGM-OAHLLOKOSA-N 1 2 326.440 3.717 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCC(=O)c2c(C)cc(C)cc2C)[nH+]c1C ZINC000896923163 1026062198 /nfs/dbraw/zinc/06/21/98/1026062198.db2.gz HNQGLSANGRTQFT-UHFFFAOYSA-N 1 2 341.455 3.621 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1Cl ZINC000895185819 1026063203 /nfs/dbraw/zinc/06/32/03/1026063203.db2.gz CGZHHLGWTMCVQO-SZMVWBNQSA-N 1 2 345.874 3.877 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1Cl ZINC000895185819 1026063225 /nfs/dbraw/zinc/06/32/25/1026063225.db2.gz CGZHHLGWTMCVQO-SZMVWBNQSA-N 1 2 345.874 3.877 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(C)cc2)s1 ZINC000121994334 1026071892 /nfs/dbraw/zinc/07/18/92/1026071892.db2.gz RJNLJHAIXVUWDO-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C)cc2)s1 ZINC000121994334 1026071904 /nfs/dbraw/zinc/07/19/04/1026071904.db2.gz RJNLJHAIXVUWDO-HNNXBMFYSA-N 1 2 345.512 3.632 20 0 EHADLO Cc1[nH]c(CNC(=O)CSc2ccc(C(C)(C)C)cc2)[nH+]c1C ZINC000896926558 1026079537 /nfs/dbraw/zinc/07/95/37/1026079537.db2.gz FBHDBFVBJCTZHN-UHFFFAOYSA-N 1 2 331.485 3.733 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCCc2nc3ccccc3s2)[nH+]c1C ZINC000896929357 1026088779 /nfs/dbraw/zinc/08/87/79/1026088779.db2.gz GVZLYSDUCAMRHM-UHFFFAOYSA-N 1 2 342.468 3.665 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC001141920034 1026093485 /nfs/dbraw/zinc/09/34/85/1026093485.db2.gz IWXSVRMSKUVYLG-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC001141920034 1026093499 /nfs/dbraw/zinc/09/34/99/1026093499.db2.gz IWXSVRMSKUVYLG-MWLCHTKSSA-N 1 2 334.204 3.727 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2cccc3[nH]ccc32)c1)[NH+]1CCOCC1 ZINC000530623056 1026146580 /nfs/dbraw/zinc/14/65/80/1026146580.db2.gz CCWBMYDWRVFDMF-HNNXBMFYSA-N 1 2 349.434 3.813 20 0 EHADLO Cc1nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc[nH+]1 ZINC000896954207 1026155351 /nfs/dbraw/zinc/15/53/51/1026155351.db2.gz AZXMSCUTRWRODE-CQSZACIVSA-N 1 2 332.448 3.519 20 0 EHADLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000530687351 1026200434 /nfs/dbraw/zinc/20/04/34/1026200434.db2.gz QYCYZDUGQMDVHG-GFCCVEGCSA-N 1 2 342.842 3.696 20 0 EHADLO COCC[C@@H]([NH2+]Cc1cc(C)on1)c1cccc(C(F)(F)F)c1 ZINC000451698327 1026218084 /nfs/dbraw/zinc/21/80/84/1026218084.db2.gz YNCNMYMGFPRGTK-OAHLLOKOSA-N 1 2 328.334 3.869 20 0 EHADLO Cc1cc(N2CCN(Cc3cccc(F)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000024337683 1026239298 /nfs/dbraw/zinc/23/92/98/1026239298.db2.gz DSPHDHJKFOTHJD-UHFFFAOYSA-N 1 2 346.425 3.509 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCCC[C@@H]2CC)s1 ZINC000122150570 1026255215 /nfs/dbraw/zinc/25/52/15/1026255215.db2.gz XHDVXUDEOXFSNJ-GJZGRUSLSA-N 1 2 337.533 3.798 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCCC[C@@H]2CC)s1 ZINC000122150570 1026255221 /nfs/dbraw/zinc/25/52/21/1026255221.db2.gz XHDVXUDEOXFSNJ-GJZGRUSLSA-N 1 2 337.533 3.798 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)cc1F ZINC000582442989 1026268847 /nfs/dbraw/zinc/26/88/47/1026268847.db2.gz UXCXDBSUQNDZSW-AWEZNQCLSA-N 1 2 340.402 3.574 20 0 EHADLO Cc1c2occ(CC(=O)N(C)CCCn3cc[nH+]c3)c2ccc1Cl ZINC000897048733 1026271743 /nfs/dbraw/zinc/27/17/43/1026271743.db2.gz WTPPUBBEWPKMDV-UHFFFAOYSA-N 1 2 345.830 3.682 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000119801311 1026291712 /nfs/dbraw/zinc/29/17/12/1026291712.db2.gz VTWSNQGBTAPWAE-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000119801311 1026291700 /nfs/dbraw/zinc/29/17/00/1026291700.db2.gz VTWSNQGBTAPWAE-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO O=C(NC1(Cc2ccccc2)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342571372 1026321141 /nfs/dbraw/zinc/32/11/41/1026321141.db2.gz DCKCCKFMWNRYBN-UHFFFAOYSA-N 1 2 345.446 3.827 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](Cc4ccccc4)[C@H]3C)[nH+]c12 ZINC000530834067 1026330238 /nfs/dbraw/zinc/33/02/38/1026330238.db2.gz MWJGOUUZZYXZCL-MJGOQNOKSA-N 1 2 347.462 3.665 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c(OC)c1 ZINC000192751891 1026336863 /nfs/dbraw/zinc/33/68/63/1026336863.db2.gz TUGPWLXQQGRGFB-CQSZACIVSA-N 1 2 327.428 3.872 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451844077 1026338168 /nfs/dbraw/zinc/33/81/68/1026338168.db2.gz SMWLOEWGUAPAPN-HXUWFJFHSA-N 1 2 338.451 3.855 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451844077 1026338176 /nfs/dbraw/zinc/33/81/76/1026338176.db2.gz SMWLOEWGUAPAPN-HXUWFJFHSA-N 1 2 338.451 3.855 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548738332 1026340130 /nfs/dbraw/zinc/34/01/30/1026340130.db2.gz HSFGGNJFRZNDEY-DOMZBBRYSA-N 1 2 327.428 3.561 20 0 EHADLO O[C@H]([C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907742 1026372557 /nfs/dbraw/zinc/37/25/57/1026372557.db2.gz MREZXAUCXSZVHD-TZMCWYRMSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1)C(F)(F)F ZINC000451907742 1026372571 /nfs/dbraw/zinc/37/25/71/1026372571.db2.gz MREZXAUCXSZVHD-TZMCWYRMSA-N 1 2 348.434 3.936 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)C1CCCCC1 ZINC000530918739 1026397192 /nfs/dbraw/zinc/39/71/92/1026397192.db2.gz AAWZWHUURLNELM-KRWDZBQOSA-N 1 2 344.499 3.643 20 0 EHADLO COc1ccc(NC(=S)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000840826017 1026410537 /nfs/dbraw/zinc/41/05/37/1026410537.db2.gz FFDQVRYTYWEBGQ-UHFFFAOYSA-N 1 2 335.860 3.847 20 0 EHADLO Cc1cc(C)c(CNC(=S)NC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000840826070 1026411011 /nfs/dbraw/zinc/41/10/11/1026411011.db2.gz GOXAONVBCULWMQ-UHFFFAOYSA-N 1 2 329.513 3.631 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000152603384 1026435338 /nfs/dbraw/zinc/43/53/38/1026435338.db2.gz QTNAZTVOYXWNAO-ZDUSSCGKSA-N 1 2 344.440 3.858 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000152603384 1026435341 /nfs/dbraw/zinc/43/53/41/1026435341.db2.gz QTNAZTVOYXWNAO-ZDUSSCGKSA-N 1 2 344.440 3.858 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccsc3)no2)Cc2ccccc2O1 ZINC000582510025 1026450172 /nfs/dbraw/zinc/45/01/72/1026450172.db2.gz RUFRZSPCMRGDHQ-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccsc3)no2)Cc2ccccc2O1 ZINC000582510025 1026450179 /nfs/dbraw/zinc/45/01/79/1026450179.db2.gz RUFRZSPCMRGDHQ-UHFFFAOYSA-N 1 2 341.436 3.971 20 0 EHADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC(n4cc[nH+]c4)C3)c2c1 ZINC000530980028 1026454557 /nfs/dbraw/zinc/45/45/57/1026454557.db2.gz QUNZXXLPAKESLN-UHFFFAOYSA-N 1 2 346.434 3.623 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc([C@@H]4CCOC5(CCCC5)C4)no3)ccn12 ZINC000897184377 1026464951 /nfs/dbraw/zinc/46/49/51/1026464951.db2.gz QADHMHYOQLJICR-OAHLLOKOSA-N 1 2 338.411 3.900 20 0 EHADLO OCC1([C@H]([NH2+]Cc2nc(C3CCCC3)no2)c2cccs2)CCC1 ZINC000452057721 1026469624 /nfs/dbraw/zinc/46/96/24/1026469624.db2.gz GQVCTHKKHBOPNG-MRXNPFEDSA-N 1 2 347.484 3.782 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1OC(F)F ZINC000152655377 1026488738 /nfs/dbraw/zinc/48/87/38/1026488738.db2.gz NQMMJVWUIMQEGA-ZDUSSCGKSA-N 1 2 344.365 3.720 20 0 EHADLO C[C@@H](NC(=O)c1ccc(C2CC2)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000531030062 1026500486 /nfs/dbraw/zinc/50/04/86/1026500486.db2.gz IJXKCCPSTUCWGT-CQSZACIVSA-N 1 2 332.407 3.636 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)c1 ZINC000475347478 1026504213 /nfs/dbraw/zinc/50/42/13/1026504213.db2.gz RYHAWYAQLGHGJQ-IRXDYDNUSA-N 1 2 346.515 3.973 20 0 EHADLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475365557 1026518825 /nfs/dbraw/zinc/51/88/25/1026518825.db2.gz ABABTHBIOZXCHZ-MRXNPFEDSA-N 1 2 336.439 3.854 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000684914912 1026577254 /nfs/dbraw/zinc/57/72/54/1026577254.db2.gz FWWAPGPMBHSGPM-JKSUJKDBSA-N 1 2 339.430 3.540 20 0 EHADLO CCC(C)(C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000684914912 1026577265 /nfs/dbraw/zinc/57/72/65/1026577265.db2.gz FWWAPGPMBHSGPM-JKSUJKDBSA-N 1 2 339.430 3.540 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167965127 1026637998 /nfs/dbraw/zinc/63/79/98/1026637998.db2.gz YKCCVQQMBDGKEK-GDBMZVCRSA-N 1 2 328.460 3.904 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000168014852 1026648273 /nfs/dbraw/zinc/64/82/73/1026648273.db2.gz NMGFWCINKJHUKV-XJKSGUPXSA-N 1 2 345.466 3.792 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000054260861 1026667032 /nfs/dbraw/zinc/66/70/32/1026667032.db2.gz PHVNWYNHEAXFAC-CQSZACIVSA-N 1 2 325.437 3.792 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cncc2ccccc21 ZINC000277718407 1026673084 /nfs/dbraw/zinc/67/30/84/1026673084.db2.gz ZBXFVDIQKZJRNI-UHFFFAOYSA-N 1 2 336.439 3.546 20 0 EHADLO CCC(=O)c1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000342674473 1026675985 /nfs/dbraw/zinc/67/59/85/1026675985.db2.gz WIXCIDKMMBVETI-UHFFFAOYSA-N 1 2 333.391 3.776 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3n[nH]c4c3CCCCC4)ccc21 ZINC000452354884 1026687173 /nfs/dbraw/zinc/68/71/73/1026687173.db2.gz MGVXLRXRCCWULK-UHFFFAOYSA-N 1 2 349.438 3.545 20 0 EHADLO COc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)c(OC)c1OC ZINC000301107327 1026688362 /nfs/dbraw/zinc/68/83/62/1026688362.db2.gz SWWNFSKHRLHAKK-UHFFFAOYSA-N 1 2 331.416 3.546 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc(C(C)C)[nH+]1 ZINC000301138469 1026698978 /nfs/dbraw/zinc/69/89/78/1026698978.db2.gz AXEJSPOBMSPWSJ-MRXNPFEDSA-N 1 2 333.382 3.765 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccco1 ZINC000010050633 1026709406 /nfs/dbraw/zinc/70/94/06/1026709406.db2.gz UEDRTHIRIBDRIK-NSHDSACASA-N 1 2 342.317 3.637 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccco1 ZINC000010050633 1026709419 /nfs/dbraw/zinc/70/94/19/1026709419.db2.gz UEDRTHIRIBDRIK-NSHDSACASA-N 1 2 342.317 3.637 20 0 EHADLO CCCCn1c(SCC[C@H]2CCCO2)nnc1[C@H](CC)[NH+](C)C ZINC000188705253 1026717081 /nfs/dbraw/zinc/71/70/81/1026717081.db2.gz ZPFWPTAVWYSKQL-CABCVRRESA-N 1 2 340.537 3.752 20 0 EHADLO COCc1cnc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)s1 ZINC000342691987 1026732080 /nfs/dbraw/zinc/73/20/80/1026732080.db2.gz ONLKIXYWJFORFO-QGZVFWFLSA-N 1 2 332.469 3.808 20 0 EHADLO COCc1cnc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)s1 ZINC000342691987 1026732092 /nfs/dbraw/zinc/73/20/92/1026732092.db2.gz ONLKIXYWJFORFO-QGZVFWFLSA-N 1 2 332.469 3.808 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc(OC3CC3)c2F)nn1 ZINC000657495129 1026752282 /nfs/dbraw/zinc/75/22/82/1026752282.db2.gz HJYZXCROQCZLJI-UHFFFAOYSA-N 1 2 332.423 3.564 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(OCC)CC1 ZINC000301381607 1026785301 /nfs/dbraw/zinc/78/53/01/1026785301.db2.gz YYDQUFHMAMGIEG-UHFFFAOYSA-N 1 2 342.439 3.725 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000301415929 1026798373 /nfs/dbraw/zinc/79/83/73/1026798373.db2.gz LXTXLUFYKPCSJQ-DLBZAZTESA-N 1 2 349.438 3.575 20 0 EHADLO Cc1ccc([C@H](CNc2ccc(Cl)cn2)[NH+]2CCOCC2)cc1 ZINC000301450438 1026811515 /nfs/dbraw/zinc/81/15/15/1026811515.db2.gz PVUORZRMWHSTEL-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO c1csc(-c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)cc2)c1 ZINC000657504973 1026814361 /nfs/dbraw/zinc/81/43/61/1026814361.db2.gz LLYGEXKVWSQVHM-HNNXBMFYSA-N 1 2 340.452 3.675 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)C[C@H]1CCOC1 ZINC000301562861 1026856287 /nfs/dbraw/zinc/85/62/87/1026856287.db2.gz IWLMDGMOHOYZEX-OAHLLOKOSA-N 1 2 342.439 3.501 20 0 EHADLO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnnn2-c2ccccc2)o1 ZINC000158683923 1026867212 /nfs/dbraw/zinc/86/72/12/1026867212.db2.gz GAAMZVDZNZVZFT-KRWDZBQOSA-N 1 2 337.427 3.681 20 0 EHADLO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnnn2-c2ccccc2)o1 ZINC000158683923 1026867219 /nfs/dbraw/zinc/86/72/19/1026867219.db2.gz GAAMZVDZNZVZFT-KRWDZBQOSA-N 1 2 337.427 3.681 20 0 EHADLO Cc1cc2c(ncnc2NC[C@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000301853948 1026964972 /nfs/dbraw/zinc/96/49/72/1026964972.db2.gz HIJSIHKUXBRNPE-CQSZACIVSA-N 1 2 348.422 3.993 20 0 EHADLO Cc1cc2c(ncnc2NC[C@@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000301853945 1026966187 /nfs/dbraw/zinc/96/61/87/1026966187.db2.gz HIJSIHKUXBRNPE-AWEZNQCLSA-N 1 2 348.422 3.993 20 0 EHADLO CC(C)c1nc(CCNc2[nH+]cnc3c2cnn3C(C)(C)C)cs1 ZINC000301884841 1026977757 /nfs/dbraw/zinc/97/77/57/1026977757.db2.gz LQSUWDUBLLVVCO-UHFFFAOYSA-N 1 2 344.488 3.816 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000301895909 1026983475 /nfs/dbraw/zinc/98/34/75/1026983475.db2.gz UFALNIWZIYOZLV-ZDUSSCGKSA-N 1 2 342.393 3.724 20 0 EHADLO Cc1ccccc1O[C@@H](C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301901839 1026987586 /nfs/dbraw/zinc/98/75/86/1026987586.db2.gz VWZUGVMZWWIMDF-AWEZNQCLSA-N 1 2 339.443 3.769 20 0 EHADLO Cc1c[nH+]c(CN2CCc3sc(-c4csc(C)n4)cc3C2)n1C ZINC000342768935 1026992523 /nfs/dbraw/zinc/99/25/23/1026992523.db2.gz OBDIBPPFKITFJS-UHFFFAOYSA-N 1 2 344.509 3.780 20 0 EHADLO Cc1nc(N2CCC(OCc3ccccc3F)CC2)c(C)c(C)[nH+]1 ZINC000301935495 1026999706 /nfs/dbraw/zinc/99/97/06/1026999706.db2.gz RMEVRFKFLTXWJS-UHFFFAOYSA-N 1 2 329.419 3.727 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123148143 1027002766 /nfs/dbraw/zinc/00/27/66/1027002766.db2.gz ZBZMEEKIOVGPNJ-KBXCAEBGSA-N 1 2 347.409 3.594 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c(C)c1 ZINC000123195894 1027011497 /nfs/dbraw/zinc/01/14/97/1027011497.db2.gz ZAADAQIGVNFHCA-KUHUBIRLSA-N 1 2 336.439 3.705 20 0 EHADLO OC[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000305856445 1027023775 /nfs/dbraw/zinc/02/37/75/1027023775.db2.gz WQIWYZOPMOYKSM-IBGZPJMESA-N 1 2 338.476 3.752 20 0 EHADLO c1cn(-c2ccc(CNc3nnc(Cc4ccccc4)s3)cc2)c[nH+]1 ZINC000302021733 1027025914 /nfs/dbraw/zinc/02/59/14/1027025914.db2.gz OGAMDPLWMVCGSH-UHFFFAOYSA-N 1 2 347.447 3.927 20 0 EHADLO Cc1nc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c2c([nH+]1)CCCC2 ZINC000302037629 1027031435 /nfs/dbraw/zinc/03/14/35/1027031435.db2.gz GJKABUWUCHRLOV-GOSISDBHSA-N 1 2 345.393 3.520 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4nccs4)C3)nc[nH+]2)C1 ZINC000302074290 1027044945 /nfs/dbraw/zinc/04/49/45/1027044945.db2.gz VODXTMQJOPIVGF-HUUCEWRRSA-N 1 2 343.500 3.553 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4nccs4)C3)[nH+]cn2)C1 ZINC000302074290 1027044955 /nfs/dbraw/zinc/04/49/55/1027044955.db2.gz VODXTMQJOPIVGF-HUUCEWRRSA-N 1 2 343.500 3.553 20 0 EHADLO c1ccc(-c2nc(NCc3cc[nH+]c(N4CCCCC4)c3)no2)cc1 ZINC000302113559 1027058205 /nfs/dbraw/zinc/05/82/05/1027058205.db2.gz QNNPWXYDXJUFGB-UHFFFAOYSA-N 1 2 335.411 3.734 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000302129213 1027063054 /nfs/dbraw/zinc/06/30/54/1027063054.db2.gz ANPYFSKNZAHEQV-GOSISDBHSA-N 1 2 346.425 3.645 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000342789535 1027070537 /nfs/dbraw/zinc/07/05/37/1027070537.db2.gz CDPADJPFWBVDQX-SJORKVTESA-N 1 2 343.496 3.532 20 0 EHADLO CCOC(=O)c1nc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)sc1C ZINC001213085306 1027079380 /nfs/dbraw/zinc/07/93/80/1027079380.db2.gz BTHVQZZXGVTZMS-UHFFFAOYSA-N 1 2 328.397 3.762 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125606119 1027096094 /nfs/dbraw/zinc/09/60/94/1027096094.db2.gz XHZHZSZDRHGFTI-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125606119 1027096114 /nfs/dbraw/zinc/09/61/14/1027096114.db2.gz XHZHZSZDRHGFTI-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC1 ZINC000531624222 1027101839 /nfs/dbraw/zinc/10/18/39/1027101839.db2.gz VMSLMXTWIDNDIQ-UHFFFAOYSA-N 1 2 347.459 3.543 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)o1 ZINC000894267630 1027106861 /nfs/dbraw/zinc/10/68/61/1027106861.db2.gz BWAVSIBWYHMGNN-MRXNPFEDSA-N 1 2 348.443 3.557 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000125855746 1027134218 /nfs/dbraw/zinc/13/42/18/1027134218.db2.gz VALHNJDEBRXNJK-HIFRSBDPSA-N 1 2 325.437 3.821 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000075532543 1027146944 /nfs/dbraw/zinc/14/69/44/1027146944.db2.gz WMPWRWULWWXJGT-ZDUSSCGKSA-N 1 2 331.847 3.747 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557107 1027170960 /nfs/dbraw/zinc/17/09/60/1027170960.db2.gz ZPSUBASIBSJRND-GPAKFWEMSA-N 1 2 349.356 3.848 20 0 EHADLO OCCCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000272928278 1027182392 /nfs/dbraw/zinc/18/23/92/1027182392.db2.gz JRTVBIJSADRDQM-UHFFFAOYSA-N 1 2 342.270 3.626 20 0 EHADLO CCN(CC)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000342802403 1027184887 /nfs/dbraw/zinc/18/48/87/1027184887.db2.gz LVLUQAQXUBWMRM-UHFFFAOYSA-N 1 2 348.450 3.649 20 0 EHADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000075681946 1027193426 /nfs/dbraw/zinc/19/34/26/1027193426.db2.gz GYAISFAZDRBTDE-GFCCVEGCSA-N 1 2 337.345 3.654 20 0 EHADLO CO[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[C@@H]1C ZINC000302567816 1027199799 /nfs/dbraw/zinc/19/97/99/1027199799.db2.gz PHDSBXVFZPOCSZ-NHYWBVRUSA-N 1 2 335.245 3.859 20 0 EHADLO Clc1cnc(NCCCNc2cccc[nH+]2)c(Br)c1 ZINC000302579982 1027202533 /nfs/dbraw/zinc/20/25/33/1027202533.db2.gz STPHWMUTZIYOGT-UHFFFAOYSA-N 1 2 341.640 3.807 20 0 EHADLO C[C@H](c1nccs1)[NH+]1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302630590 1027215964 /nfs/dbraw/zinc/21/59/64/1027215964.db2.gz BVPHXIANDUVTGH-CYBMUJFWSA-N 1 2 342.443 3.714 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000076053937 1027231142 /nfs/dbraw/zinc/23/11/42/1027231142.db2.gz YVFFUFZFUCSTEG-DOTOQJQBSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000076053942 1027232622 /nfs/dbraw/zinc/23/26/22/1027232622.db2.gz YVFFUFZFUCSTEG-WBVHZDCISA-N 1 2 344.434 3.835 20 0 EHADLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076093837 1027239044 /nfs/dbraw/zinc/23/90/44/1027239044.db2.gz FTEUOZVNPBCOFL-ROUUACIJSA-N 1 2 340.471 3.710 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000531736043 1027260263 /nfs/dbraw/zinc/26/02/63/1027260263.db2.gz QDOLLDBNRPURHX-HOCLYGCPSA-N 1 2 328.460 3.904 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)CCO2)c1 ZINC000513714090 1027262413 /nfs/dbraw/zinc/26/24/13/1027262413.db2.gz YBFOLHVDQZNKCS-DCPHZVHLSA-N 1 2 327.424 3.985 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)CCO2)c1 ZINC000513714090 1027262429 /nfs/dbraw/zinc/26/24/29/1027262429.db2.gz YBFOLHVDQZNKCS-DCPHZVHLSA-N 1 2 327.424 3.985 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@](C)(F)C2)cc1 ZINC000501418981 1027270255 /nfs/dbraw/zinc/27/02/55/1027270255.db2.gz MLZOLSZSKGUSQH-QUCCMNQESA-N 1 2 348.462 3.573 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@](C)(F)C2)cc1 ZINC000501418981 1027270268 /nfs/dbraw/zinc/27/02/68/1027270268.db2.gz MLZOLSZSKGUSQH-QUCCMNQESA-N 1 2 348.462 3.573 20 0 EHADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000273139748 1027283638 /nfs/dbraw/zinc/28/36/38/1027283638.db2.gz DRKWAIMCSJJUQA-STQMWFEESA-N 1 2 349.377 3.928 20 0 EHADLO CC(C)c1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C(C)(C)C)n1 ZINC000302785970 1027291695 /nfs/dbraw/zinc/29/16/95/1027291695.db2.gz VWJIGBKQWWFEHK-INIZCTEOSA-N 1 2 340.471 3.950 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000273205884 1027311163 /nfs/dbraw/zinc/31/11/63/1027311163.db2.gz SZHIEFSWVLSOTG-LLVKDONJSA-N 1 2 325.865 3.962 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000273205884 1027311183 /nfs/dbraw/zinc/31/11/83/1027311183.db2.gz SZHIEFSWVLSOTG-LLVKDONJSA-N 1 2 325.865 3.962 20 0 EHADLO Cc1cc(CNc2cc(N3CCSCC3)nc[nH+]2)ccc1Cl ZINC000302822005 1027312667 /nfs/dbraw/zinc/31/26/67/1027312667.db2.gz DSYIVBIZIZAQTJ-UHFFFAOYSA-N 1 2 334.876 3.604 20 0 EHADLO Cc1cc(CNc2cc(N3CCSCC3)[nH+]cn2)ccc1Cl ZINC000302822005 1027312683 /nfs/dbraw/zinc/31/26/83/1027312683.db2.gz DSYIVBIZIZAQTJ-UHFFFAOYSA-N 1 2 334.876 3.604 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)c2ncnn21 ZINC000657568599 1027328308 /nfs/dbraw/zinc/32/83/08/1027328308.db2.gz HNNJACVUWJUDJP-IMTBSYHQSA-N 1 2 347.669 3.551 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ncc(-c2ccccc2)n1C ZINC000453077264 1027328578 /nfs/dbraw/zinc/32/85/78/1027328578.db2.gz XXLZYFYQYRELSK-AWEZNQCLSA-N 1 2 335.407 3.667 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c2ncnn21 ZINC000657570363 1027335136 /nfs/dbraw/zinc/33/51/36/1027335136.db2.gz RVAMWSHDFFWPPD-XHDPSFHLSA-N 1 2 328.803 3.987 20 0 EHADLO c1ccc(SC[C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302899965 1027352053 /nfs/dbraw/zinc/35/20/53/1027352053.db2.gz QGZORDJWAOFREI-MRXNPFEDSA-N 1 2 340.496 3.695 20 0 EHADLO c1ccc(SC[C@@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302899965 1027352070 /nfs/dbraw/zinc/35/20/70/1027352070.db2.gz QGZORDJWAOFREI-MRXNPFEDSA-N 1 2 340.496 3.695 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000273296716 1027362574 /nfs/dbraw/zinc/36/25/74/1027362574.db2.gz MEOJJLOJCDBASF-LBPRGKRZSA-N 1 2 328.441 3.969 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C2CCC2)cc1 ZINC000072608856 1027363508 /nfs/dbraw/zinc/36/35/08/1027363508.db2.gz PFNREPUGIAOVEO-HNNXBMFYSA-N 1 2 343.324 3.945 20 0 EHADLO CCOc1cccc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302920876 1027365750 /nfs/dbraw/zinc/36/57/50/1027365750.db2.gz ZPDCPRLMYDXDDR-CQSZACIVSA-N 1 2 344.484 3.602 20 0 EHADLO CCOc1cccc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302920876 1027365766 /nfs/dbraw/zinc/36/57/66/1027365766.db2.gz ZPDCPRLMYDXDDR-CQSZACIVSA-N 1 2 344.484 3.602 20 0 EHADLO Cc1ccccc1Nc1nc(C[NH2+][C@H](C)c2cnn(C)c2)cs1 ZINC000273398746 1027411497 /nfs/dbraw/zinc/41/14/97/1027411497.db2.gz QFWZPWRMXAREEW-CYBMUJFWSA-N 1 2 327.457 3.779 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273395311 1027412130 /nfs/dbraw/zinc/41/21/30/1027412130.db2.gz FSOYMMUHDRRDJZ-IAGOWNOFSA-N 1 2 347.434 3.903 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)no1 ZINC000273395311 1027412139 /nfs/dbraw/zinc/41/21/39/1027412139.db2.gz FSOYMMUHDRRDJZ-IAGOWNOFSA-N 1 2 347.434 3.903 20 0 EHADLO CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077497840 1027419520 /nfs/dbraw/zinc/41/95/20/1027419520.db2.gz MLRABGVACLXWTD-LBPRGKRZSA-N 1 2 347.850 3.541 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000077529728 1027425479 /nfs/dbraw/zinc/42/54/79/1027425479.db2.gz FFKGMORZCFQCFR-APWZRJJASA-N 1 2 340.471 3.699 20 0 EHADLO CC1(C)CCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454227532 1027432787 /nfs/dbraw/zinc/43/27/87/1027432787.db2.gz TXDVRVKVUBOZRP-SFHVURJKSA-N 1 2 340.471 3.557 20 0 EHADLO Cc1ccc2occ(CC(=O)NCCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC001126728507 1027445710 /nfs/dbraw/zinc/44/57/10/1027445710.db2.gz RCOZMPPZDNKAHC-UHFFFAOYSA-N 1 2 347.418 3.599 20 0 EHADLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000128525149 1027449022 /nfs/dbraw/zinc/44/90/22/1027449022.db2.gz BJVLQLJHWUSOBN-SFHVURJKSA-N 1 2 337.398 3.821 20 0 EHADLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3)c2C1 ZINC000128654902 1027464249 /nfs/dbraw/zinc/46/42/49/1027464249.db2.gz AJKSOOAXJRYCLV-UHFFFAOYSA-N 1 2 348.443 3.598 20 0 EHADLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3)c2C1 ZINC000128654902 1027464265 /nfs/dbraw/zinc/46/42/65/1027464265.db2.gz AJKSOOAXJRYCLV-UHFFFAOYSA-N 1 2 348.443 3.598 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000128677662 1027467184 /nfs/dbraw/zinc/46/71/84/1027467184.db2.gz LBIAHDDFBCALDJ-HXUWFJFHSA-N 1 2 342.414 3.666 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000128677662 1027467195 /nfs/dbraw/zinc/46/71/95/1027467195.db2.gz LBIAHDDFBCALDJ-HXUWFJFHSA-N 1 2 342.414 3.666 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)[nH]1 ZINC000342825642 1027471744 /nfs/dbraw/zinc/47/17/44/1027471744.db2.gz LAUFXZFFNNMREO-GFCCVEGCSA-N 1 2 328.391 3.925 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c[nH+]1 ZINC000536574360 1027485714 /nfs/dbraw/zinc/48/57/14/1027485714.db2.gz GPZNGSBBUKRZJZ-ZIAGYGMSSA-N 1 2 334.341 3.881 20 0 EHADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273550206 1027489319 /nfs/dbraw/zinc/48/93/19/1027489319.db2.gz VENSNADSAKUTLH-CVEARBPZSA-N 1 2 333.407 3.684 20 0 EHADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273550206 1027489327 /nfs/dbraw/zinc/48/93/27/1027489327.db2.gz VENSNADSAKUTLH-CVEARBPZSA-N 1 2 333.407 3.684 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000536575378 1027490490 /nfs/dbraw/zinc/49/04/90/1027490490.db2.gz UTFMJDVVHQBYDG-UHFFFAOYSA-N 1 2 347.256 3.799 20 0 EHADLO Cc1cc(NC(=O)CN(Cc2ccccc2)c2ccccc2)c(C)c[nH+]1 ZINC000536574648 1027491838 /nfs/dbraw/zinc/49/18/38/1027491838.db2.gz NPICOMWRTKOWFH-UHFFFAOYSA-N 1 2 345.446 3.766 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000273582088 1027503499 /nfs/dbraw/zinc/50/34/99/1027503499.db2.gz HBPHHSXRRQGYSE-CHWSQXEVSA-N 1 2 346.500 3.956 20 0 EHADLO C[C@H](c1cccs1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943457 1027510341 /nfs/dbraw/zinc/51/03/41/1027510341.db2.gz PATGJJOOEIGKBO-CQSZACIVSA-N 1 2 344.484 3.515 20 0 EHADLO CSCCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000273677192 1027554535 /nfs/dbraw/zinc/55/45/35/1027554535.db2.gz CHZHBZYHCLVUAE-UHFFFAOYSA-N 1 2 328.441 3.667 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000153220834 1027575116 /nfs/dbraw/zinc/57/51/16/1027575116.db2.gz MKHBJANGZSLASM-HNNXBMFYSA-N 1 2 327.428 3.509 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000501849188 1027592005 /nfs/dbraw/zinc/59/20/05/1027592005.db2.gz FPRIZRCYXBAEFN-UHFFFAOYSA-N 1 2 342.508 3.853 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000501849188 1027592018 /nfs/dbraw/zinc/59/20/18/1027592018.db2.gz FPRIZRCYXBAEFN-UHFFFAOYSA-N 1 2 342.508 3.853 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2C(C)(C)C2(C)C)c1C ZINC000475542769 1027595446 /nfs/dbraw/zinc/59/54/46/1027595446.db2.gz NWSAMVLDMYPHSY-UHFFFAOYSA-N 1 2 333.476 3.531 20 0 EHADLO Cc1cccc([C@@H](c2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500561 1027602991 /nfs/dbraw/zinc/60/29/91/1027602991.db2.gz SUBHXJMLPOWUPC-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1cccc([C@@H](c2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)C(C)C)c1 ZINC000420500561 1027603003 /nfs/dbraw/zinc/60/30/03/1027603003.db2.gz SUBHXJMLPOWUPC-MSOLQXFVSA-N 1 2 343.471 3.948 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCCC[C@H]3C)cn2c1 ZINC000501907744 1027632234 /nfs/dbraw/zinc/63/22/34/1027632234.db2.gz LYOXOTOLIVXHNH-NVXWUHKLSA-N 1 2 345.512 3.913 20 0 EHADLO CCCC[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000282006757 1027678523 /nfs/dbraw/zinc/67/85/23/1027678523.db2.gz UTTIVQDOIUAZQC-QGZVFWFLSA-N 1 2 331.504 3.973 20 0 EHADLO CC[N@H+](CC(=O)NC1CCC(F)(F)CC1)Cc1ccccc1Cl ZINC000503252269 1027689482 /nfs/dbraw/zinc/68/94/82/1027689482.db2.gz PWYZOZGYUPBCIU-UHFFFAOYSA-N 1 2 344.833 3.856 20 0 EHADLO CC[N@@H+](CC(=O)NC1CCC(F)(F)CC1)Cc1ccccc1Cl ZINC000503252269 1027689492 /nfs/dbraw/zinc/68/94/92/1027689492.db2.gz PWYZOZGYUPBCIU-UHFFFAOYSA-N 1 2 344.833 3.856 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1ccccc1NCc1ccccc1 ZINC000783387909 1027707305 /nfs/dbraw/zinc/70/73/05/1027707305.db2.gz GDRKCEGBUXIIFQ-UHFFFAOYSA-N 1 2 335.407 3.742 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000475587776 1027721473 /nfs/dbraw/zinc/72/14/73/1027721473.db2.gz KMYZGVAJDSTDAG-DNVCBOLYSA-N 1 2 329.415 3.693 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](C)c2ccc(F)cc2F)cc(C)[nH+]1 ZINC000420785124 1027727393 /nfs/dbraw/zinc/72/73/93/1027727393.db2.gz ABBPQIOQGCGAAT-LLVKDONJSA-N 1 2 333.382 3.580 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503369223 1027745908 /nfs/dbraw/zinc/74/59/08/1027745908.db2.gz OVJMNDNWBUORQO-LIRRHRJNSA-N 1 2 338.842 3.946 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](C)Oc2ccccc2Cl)cc(C)[nH+]1 ZINC000420794379 1027753843 /nfs/dbraw/zinc/75/38/43/1027753843.db2.gz KOUGKOXJQQJKAA-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO O=C(Cc1cnc2ccccc2c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000131361838 1027771323 /nfs/dbraw/zinc/77/13/23/1027771323.db2.gz VSEDQISCXALFKB-UHFFFAOYSA-N 1 2 328.375 3.602 20 0 EHADLO COCc1cc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)no1 ZINC000414473953 1027776362 /nfs/dbraw/zinc/77/63/62/1027776362.db2.gz BUODESPPIJSBHO-UHFFFAOYSA-N 1 2 348.446 3.817 20 0 EHADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000420844347 1027785750 /nfs/dbraw/zinc/78/57/50/1027785750.db2.gz GPTJRZXRNJTBPE-CQSZACIVSA-N 1 2 346.500 3.928 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C)cc(C)[nH+]1 ZINC000420842775 1027786592 /nfs/dbraw/zinc/78/65/92/1027786592.db2.gz DWJAUZYBIWACQS-KRWDZBQOSA-N 1 2 325.456 3.779 20 0 EHADLO Cc1cc(CNC(=O)N(C)[C@H](C)Cc2ccccc2C)cc(C)[nH+]1 ZINC000420842779 1027787028 /nfs/dbraw/zinc/78/70/28/1027787028.db2.gz DWJAUZYBIWACQS-QGZVFWFLSA-N 1 2 325.456 3.779 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2cc(-c3ccccc3C)nn2C)c[nH+]1 ZINC000455157819 1027795347 /nfs/dbraw/zinc/79/53/47/1027795347.db2.gz YXXIHALSBRNCQA-UHFFFAOYSA-N 1 2 349.438 3.729 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2CCCc3c(F)cccc32)cc(C)[nH+]1 ZINC000420857595 1027803704 /nfs/dbraw/zinc/80/37/04/1027803704.db2.gz ZXRPXDQZMDHZMG-SFHVURJKSA-N 1 2 327.403 3.714 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342878994 1027849950 /nfs/dbraw/zinc/84/99/50/1027849950.db2.gz AHXAYPLUWMWBHG-FOIQADDNSA-N 1 2 331.419 3.926 20 0 EHADLO Cn1cc(Cl)c(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000420922965 1027867507 /nfs/dbraw/zinc/86/75/07/1027867507.db2.gz PAUQTLZJNJBUBU-WMLDXEAASA-N 1 2 337.826 3.565 20 0 EHADLO Cn1cc(Cl)c(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000420922965 1027867526 /nfs/dbraw/zinc/86/75/26/1027867526.db2.gz PAUQTLZJNJBUBU-WMLDXEAASA-N 1 2 337.826 3.565 20 0 EHADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000657661200 1027920232 /nfs/dbraw/zinc/92/02/32/1027920232.db2.gz CSKJADPBTVJFMW-UHFFFAOYSA-N 1 2 330.482 3.772 20 0 EHADLO Cc1ncsc1C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000132446446 1027927440 /nfs/dbraw/zinc/92/74/40/1027927440.db2.gz PHVVBQOWJXIRGT-LLVKDONJSA-N 1 2 347.875 3.845 20 0 EHADLO CC[C@@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503590714 1027932821 /nfs/dbraw/zinc/93/28/21/1027932821.db2.gz BMDJNBLKYQTZSH-IPMKNSEASA-N 1 2 347.499 3.734 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C[C@H](CC)O1 ZINC000420964943 1027935966 /nfs/dbraw/zinc/93/59/66/1027935966.db2.gz XOYHWEYQTZNODS-HRCADAONSA-N 1 2 329.444 3.995 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C[C@H](CC)O1 ZINC000420964943 1027935986 /nfs/dbraw/zinc/93/59/86/1027935986.db2.gz XOYHWEYQTZNODS-HRCADAONSA-N 1 2 329.444 3.995 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503582718 1027941243 /nfs/dbraw/zinc/94/12/43/1027941243.db2.gz FVHMBQOHWUCMHB-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503582718 1027941256 /nfs/dbraw/zinc/94/12/56/1027941256.db2.gz FVHMBQOHWUCMHB-STQMWFEESA-N 1 2 348.368 3.920 20 0 EHADLO C(CN1CCC2(CCCCC2)CC1)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894253798 1027942174 /nfs/dbraw/zinc/94/21/74/1027942174.db2.gz NXLQOIGLJXGGIF-UHFFFAOYSA-N 1 2 334.533 3.551 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000533492977 1027954962 /nfs/dbraw/zinc/95/49/62/1027954962.db2.gz KMOVJBCYDMSGHP-STQMWFEESA-N 1 2 330.394 3.699 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)cc1 ZINC000533492977 1027954967 /nfs/dbraw/zinc/95/49/67/1027954967.db2.gz KMOVJBCYDMSGHP-STQMWFEESA-N 1 2 330.394 3.699 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000502202035 1027956407 /nfs/dbraw/zinc/95/64/07/1027956407.db2.gz LNFNNLMGPYVFHJ-POGDKVGISA-N 1 2 349.478 3.788 20 0 EHADLO FCCn1ncnc1C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000685037287 1027957156 /nfs/dbraw/zinc/95/71/56/1027957156.db2.gz FPKYWTVAXXAHQP-LZNQSLFOSA-N 1 2 334.464 3.767 20 0 EHADLO FCCn1ncnc1C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000685037287 1027957172 /nfs/dbraw/zinc/95/71/72/1027957172.db2.gz FPKYWTVAXXAHQP-LZNQSLFOSA-N 1 2 334.464 3.767 20 0 EHADLO COc1c(Cl)cccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000897480169 1027962153 /nfs/dbraw/zinc/96/21/53/1027962153.db2.gz RSLBLFOZDICWNU-UHFFFAOYSA-N 1 2 326.227 3.892 20 0 EHADLO CC(=O)CNc1nc(C[NH+]2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC001167627608 1027996812 /nfs/dbraw/zinc/99/68/12/1027996812.db2.gz NUILJCMBKOCSLE-UHFFFAOYSA-N 1 2 346.500 3.541 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018914 1028005235 /nfs/dbraw/zinc/00/52/35/1028005235.db2.gz MVHYNYBAAYXEIG-UKRRQHHQSA-N 1 2 349.475 3.527 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000421018914 1028005253 /nfs/dbraw/zinc/00/52/53/1028005253.db2.gz MVHYNYBAAYXEIG-UKRRQHHQSA-N 1 2 349.475 3.527 20 0 EHADLO CC(C)[N@H+](Cc1nc2ccccc2c(=O)n1C)[C@H](C)c1ccsc1 ZINC000421016757 1028005915 /nfs/dbraw/zinc/00/59/15/1028005915.db2.gz UZEPBBHIEGWOTP-CQSZACIVSA-N 1 2 341.480 3.967 20 0 EHADLO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)n1C)[C@H](C)c1ccsc1 ZINC000421016757 1028005934 /nfs/dbraw/zinc/00/59/34/1028005934.db2.gz UZEPBBHIEGWOTP-CQSZACIVSA-N 1 2 341.480 3.967 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(C)c(OCC(F)F)c2)cc(C)[nH+]1 ZINC000421054790 1028015258 /nfs/dbraw/zinc/01/52/58/1028015258.db2.gz QJRYYCMABODGKL-UHFFFAOYSA-N 1 2 349.381 3.972 20 0 EHADLO CCCOc1c(C[NH2+]Cc2nccc(OC)c2F)cccc1OCC ZINC000657674094 1028019766 /nfs/dbraw/zinc/01/97/66/1028019766.db2.gz YEVMOXURVREQJV-UHFFFAOYSA-N 1 2 348.418 3.707 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628520 1028024269 /nfs/dbraw/zinc/02/42/69/1028024269.db2.gz DPOYCMRERMAKIQ-CHWSQXEVSA-N 1 2 335.883 3.706 20 0 EHADLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628520 1028024283 /nfs/dbraw/zinc/02/42/83/1028024283.db2.gz DPOYCMRERMAKIQ-CHWSQXEVSA-N 1 2 335.883 3.706 20 0 EHADLO COc1ccnc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1F ZINC000657674778 1028027653 /nfs/dbraw/zinc/02/76/53/1028027653.db2.gz VALMWMABIJZCOB-UHFFFAOYSA-N 1 2 332.272 3.677 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnnn1-c1ccccc1 ZINC000051562983 1028033561 /nfs/dbraw/zinc/03/35/61/1028033561.db2.gz AGAYRLGOWOROHI-STQMWFEESA-N 1 2 327.819 3.728 20 0 EHADLO Clc1cnn(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000459369425 1028055475 /nfs/dbraw/zinc/05/54/75/1028055475.db2.gz QAUQWIUQSLLZSE-HNNXBMFYSA-N 1 2 330.819 3.905 20 0 EHADLO Clc1cnn(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000459369425 1028055495 /nfs/dbraw/zinc/05/54/95/1028055495.db2.gz QAUQWIUQSLLZSE-HNNXBMFYSA-N 1 2 330.819 3.905 20 0 EHADLO COc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000066172827 1028073641 /nfs/dbraw/zinc/07/36/41/1028073641.db2.gz LOFQAFCHHSFBMG-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000152483568 1028077748 /nfs/dbraw/zinc/07/77/48/1028077748.db2.gz HKSPSPLKDPXRLR-CQSZACIVSA-N 1 2 331.847 3.532 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000533558959 1028082117 /nfs/dbraw/zinc/08/21/17/1028082117.db2.gz PDJHNQITOYTHLP-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000533558959 1028082135 /nfs/dbraw/zinc/08/21/35/1028082135.db2.gz PDJHNQITOYTHLP-GOSISDBHSA-N 1 2 340.377 3.883 20 0 EHADLO Cc1cc(C)n(-c2ccccc2NC(=O)NCc2cc(C)[nH+]c(C)c2)n1 ZINC000421079098 1028088393 /nfs/dbraw/zinc/08/83/93/1028088393.db2.gz JMMSKPAZXKOYKZ-UHFFFAOYSA-N 1 2 349.438 3.823 20 0 EHADLO COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001625982023 1028088889 /nfs/dbraw/zinc/08/88/89/1028088889.db2.gz XCFLSMPIASGSDA-QGZVFWFLSA-N 1 2 347.418 3.829 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503709170 1028090541 /nfs/dbraw/zinc/09/05/41/1028090541.db2.gz NMNVAXJIJCCTGZ-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503709170 1028090559 /nfs/dbraw/zinc/09/05/59/1028090559.db2.gz NMNVAXJIJCCTGZ-OLZOCXBDSA-N 1 2 348.368 3.920 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCCc1cccc(F)c1)c1cccs1 ZINC000444634121 1028105467 /nfs/dbraw/zinc/10/54/67/1028105467.db2.gz XQHSMUIPKRPHQQ-QGZVFWFLSA-N 1 2 347.455 3.794 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCCc1cccc(F)c1)c1cccs1 ZINC000444634121 1028105481 /nfs/dbraw/zinc/10/54/81/1028105481.db2.gz XQHSMUIPKRPHQQ-QGZVFWFLSA-N 1 2 347.455 3.794 20 0 EHADLO CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423044203 1028149334 /nfs/dbraw/zinc/14/93/34/1028149334.db2.gz BCEDMWWEDFJROH-DIFFPNOSSA-N 1 2 334.366 3.781 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000502387294 1028164268 /nfs/dbraw/zinc/16/42/68/1028164268.db2.gz IQFWBXGBFPTOIO-ZBFHGGJFSA-N 1 2 345.512 3.771 20 0 EHADLO COc1ccc(OCC[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000246293461 1028170262 /nfs/dbraw/zinc/17/02/62/1028170262.db2.gz BPUKXGWPGIEEEW-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000246293461 1028170268 /nfs/dbraw/zinc/17/02/68/1028170268.db2.gz BPUKXGWPGIEEEW-KSSFIOAISA-N 1 2 333.453 3.598 20 0 EHADLO CCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000532693421 1028180400 /nfs/dbraw/zinc/18/04/00/1028180400.db2.gz ILPUELTUPHZXDV-OAHLLOKOSA-N 1 2 328.378 3.759 20 0 EHADLO CCCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000532693421 1028180418 /nfs/dbraw/zinc/18/04/18/1028180418.db2.gz ILPUELTUPHZXDV-OAHLLOKOSA-N 1 2 328.378 3.759 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2C[NH+]2CCOCC2)o1 ZINC000120947910 1028207739 /nfs/dbraw/zinc/20/77/39/1028207739.db2.gz HRSYMFOWXNQBAO-QAPCUYQASA-N 1 2 326.440 3.847 20 0 EHADLO CCCOc1ncccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455478870 1028213354 /nfs/dbraw/zinc/21/33/54/1028213354.db2.gz MZZXXUDKVBILEH-UHFFFAOYSA-N 1 2 328.416 3.512 20 0 EHADLO CC(C)(C)[C@H]1C[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CCO1 ZINC000564409661 1028216897 /nfs/dbraw/zinc/21/68/97/1028216897.db2.gz RLZGGKAASDVNHK-HXUWFJFHSA-N 1 2 339.483 3.608 20 0 EHADLO CC(C)(C)[C@H]1C[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CCO1 ZINC000564409661 1028216912 /nfs/dbraw/zinc/21/69/12/1028216912.db2.gz RLZGGKAASDVNHK-HXUWFJFHSA-N 1 2 339.483 3.608 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1F ZINC000444740955 1028226228 /nfs/dbraw/zinc/22/62/28/1028226228.db2.gz COPAWZGOTUAXRG-IBGZPJMESA-N 1 2 344.405 3.725 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1F ZINC000444740955 1028226237 /nfs/dbraw/zinc/22/62/37/1028226237.db2.gz COPAWZGOTUAXRG-IBGZPJMESA-N 1 2 344.405 3.725 20 0 EHADLO COc1ccc(N(C#N)Cc2[nH+]cc(C)c(OC)c2C)cc1Cl ZINC000502491728 1028248232 /nfs/dbraw/zinc/24/82/32/1028248232.db2.gz AQGUWHDJKZEXIR-UHFFFAOYSA-N 1 2 331.803 3.857 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2ccc(-n3cccn3)cc2)c(C)[nH+]1 ZINC000455482865 1028248460 /nfs/dbraw/zinc/24/84/60/1028248460.db2.gz PQPZZTXHOWAZDF-UHFFFAOYSA-N 1 2 349.438 3.557 20 0 EHADLO COc1ccc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000455488342 1028258635 /nfs/dbraw/zinc/25/86/35/1028258635.db2.gz UQQYTLYTYSCAOF-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO Cc1cccc(CC[N@@H+]2CCc3cc(Br)cc(F)c3C2)n1 ZINC000574570286 1028263449 /nfs/dbraw/zinc/26/34/49/1028263449.db2.gz JNEGRJZNDAVTKQ-UHFFFAOYSA-N 1 2 349.247 3.892 20 0 EHADLO Cc1cccc(CC[N@H+]2CCc3cc(Br)cc(F)c3C2)n1 ZINC000574570286 1028263459 /nfs/dbraw/zinc/26/34/59/1028263459.db2.gz JNEGRJZNDAVTKQ-UHFFFAOYSA-N 1 2 349.247 3.892 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000136656247 1028264523 /nfs/dbraw/zinc/26/45/23/1028264523.db2.gz TWTZQQWWIOYDTE-OAHLLOKOSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000136656247 1028264539 /nfs/dbraw/zinc/26/45/39/1028264539.db2.gz TWTZQQWWIOYDTE-OAHLLOKOSA-N 1 2 344.484 3.746 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(C)[nH+]1 ZINC000455513476 1028292622 /nfs/dbraw/zinc/29/26/22/1028292622.db2.gz IPVBNYVSSRXCHB-DYVFJYSZSA-N 1 2 345.468 3.892 20 0 EHADLO C[C@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000151900997 1028303029 /nfs/dbraw/zinc/30/30/29/1028303029.db2.gz ZZTRYSXKTXXONN-OAHLLOKOSA-N 1 2 347.528 3.807 20 0 EHADLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C)s1 ZINC000195674393 1028307104 /nfs/dbraw/zinc/30/71/04/1028307104.db2.gz LWQUDYAUZAMIGC-UHFFFAOYSA-N 1 2 346.471 3.770 20 0 EHADLO Cc1cc(CNC(=O)CCOc2ccc(C(C)C)cc2)cc(C)[nH+]1 ZINC000421573336 1028324026 /nfs/dbraw/zinc/32/40/26/1028324026.db2.gz ADKPBOYLICZBHO-UHFFFAOYSA-N 1 2 326.440 3.907 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)cc1Cl ZINC000056525222 1028328611 /nfs/dbraw/zinc/32/86/11/1028328611.db2.gz WDHNHNXOPFRQSV-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502547005 1028335761 /nfs/dbraw/zinc/33/57/61/1028335761.db2.gz SJMQRPVSEWMZNH-HOTGVXAUSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502547005 1028335773 /nfs/dbraw/zinc/33/57/73/1028335773.db2.gz SJMQRPVSEWMZNH-HOTGVXAUSA-N 1 2 338.854 3.777 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2nnc(C)o2)cc1OC ZINC000066864906 1028343949 /nfs/dbraw/zinc/34/39/49/1028343949.db2.gz LFJXPCFGFWDSMM-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nnc(C)o2)cc1OC ZINC000066864906 1028343968 /nfs/dbraw/zinc/34/39/68/1028343968.db2.gz LFJXPCFGFWDSMM-UHFFFAOYSA-N 1 2 333.432 3.588 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)Cn1cc[nH+]c1 ZINC000153608645 1028349226 /nfs/dbraw/zinc/34/92/26/1028349226.db2.gz UWQDSDVRGSBHJA-CYBMUJFWSA-N 1 2 343.814 3.863 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H](C)CC)CC2)s1 ZINC000523472464 1028353460 /nfs/dbraw/zinc/35/34/60/1028353460.db2.gz RXGHCHUAPHSEFS-LSDHHAIUSA-N 1 2 337.533 3.572 20 0 EHADLO Clc1cccc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)c1 ZINC000685058117 1028363405 /nfs/dbraw/zinc/36/34/05/1028363405.db2.gz ZEYDMIFAPHBFEY-UHFFFAOYSA-N 1 2 329.787 3.931 20 0 EHADLO Clc1cccc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)c1 ZINC000685058117 1028363422 /nfs/dbraw/zinc/36/34/22/1028363422.db2.gz ZEYDMIFAPHBFEY-UHFFFAOYSA-N 1 2 329.787 3.931 20 0 EHADLO C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000079025271 1028417448 /nfs/dbraw/zinc/41/74/48/1028417448.db2.gz JJOADWDZPSQUNJ-MRXNPFEDSA-N 1 2 346.434 3.765 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000069610504 1028435023 /nfs/dbraw/zinc/43/50/23/1028435023.db2.gz SEHBDZCIHMELBU-AWEZNQCLSA-N 1 2 325.368 3.675 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000069610504 1028435033 /nfs/dbraw/zinc/43/50/33/1028435033.db2.gz SEHBDZCIHMELBU-AWEZNQCLSA-N 1 2 325.368 3.675 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000455557433 1028449955 /nfs/dbraw/zinc/44/99/55/1028449955.db2.gz LQLRUTSXVFVBAK-CYBMUJFWSA-N 1 2 332.473 3.674 20 0 EHADLO Cc1c2ccccc2oc1[C@H](NC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000070057242 1028450748 /nfs/dbraw/zinc/45/07/48/1028450748.db2.gz GSILBWGNDGUOLR-QGZVFWFLSA-N 1 2 340.427 3.634 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000193795726 1028465774 /nfs/dbraw/zinc/46/57/74/1028465774.db2.gz OXVWSPZEGBQRDX-FDMDGMSGSA-N 1 2 329.469 3.888 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000193795726 1028465781 /nfs/dbraw/zinc/46/57/81/1028465781.db2.gz OXVWSPZEGBQRDX-FDMDGMSGSA-N 1 2 329.469 3.888 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193860906 1028472830 /nfs/dbraw/zinc/47/28/30/1028472830.db2.gz XXXHNRZNRWPRMO-KBPBESRZSA-N 1 2 346.862 3.578 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000193860906 1028472841 /nfs/dbraw/zinc/47/28/41/1028472841.db2.gz XXXHNRZNRWPRMO-KBPBESRZSA-N 1 2 346.862 3.578 20 0 EHADLO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278013585 1028514194 /nfs/dbraw/zinc/51/41/94/1028514194.db2.gz JFWWUEUYELKMPS-IAGOWNOFSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278013585 1028514200 /nfs/dbraw/zinc/51/42/00/1028514200.db2.gz JFWWUEUYELKMPS-IAGOWNOFSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)OCc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000194412364 1028515461 /nfs/dbraw/zinc/51/54/61/1028515461.db2.gz SBRWDJVAYCCUQC-UHFFFAOYSA-N 1 2 342.443 3.630 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000421543471 1028519776 /nfs/dbraw/zinc/51/97/76/1028519776.db2.gz OOOIPGLRNPZNGG-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000502684541 1028554684 /nfs/dbraw/zinc/55/46/84/1028554684.db2.gz PYXJAISLLVEWAZ-SFHVURJKSA-N 1 2 331.456 3.622 20 0 EHADLO Cc1cc(CNC(=O)C(C)(C)COCc2ccccc2)cc(C)[nH+]1 ZINC000421573750 1028566769 /nfs/dbraw/zinc/56/67/69/1028566769.db2.gz BXIODZMHFFDHOQ-UHFFFAOYSA-N 1 2 326.440 3.558 20 0 EHADLO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)Oc1ccc(Cl)cc1 ZINC000195049309 1028572352 /nfs/dbraw/zinc/57/23/52/1028572352.db2.gz HGJQAJZZKHMSLR-DYVFJYSZSA-N 1 2 342.830 3.605 20 0 EHADLO Cc1cc(CNC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc(C)[nH+]1 ZINC000421577478 1028573414 /nfs/dbraw/zinc/57/34/14/1028573414.db2.gz PBCGHFBOALJICU-UHFFFAOYSA-N 1 2 344.283 3.925 20 0 EHADLO Cc1cc(CNC(=O)CCCOc2ccc(C)c(C)c2)cc(C)[nH+]1 ZINC000421579598 1028574269 /nfs/dbraw/zinc/57/42/69/1028574269.db2.gz UOVQEZOLWQHCAL-UHFFFAOYSA-N 1 2 326.440 3.791 20 0 EHADLO Cc1cc(CNC(=O)CCOc2ccc(F)cc2Cl)cc(C)[nH+]1 ZINC000421579134 1028575952 /nfs/dbraw/zinc/57/59/52/1028575952.db2.gz SLNUTBXBUCLNAC-UHFFFAOYSA-N 1 2 336.794 3.576 20 0 EHADLO Cc1nn(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)c(=O)c2ccccc12 ZINC000054472627 1028585707 /nfs/dbraw/zinc/58/57/07/1028585707.db2.gz ZJDQAOPGSKALIS-QGZVFWFLSA-N 1 2 347.462 3.963 20 0 EHADLO Cc1nn(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c(=O)c2ccccc12 ZINC000054472627 1028585720 /nfs/dbraw/zinc/58/57/20/1028585720.db2.gz ZJDQAOPGSKALIS-QGZVFWFLSA-N 1 2 347.462 3.963 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000583034473 1028594647 /nfs/dbraw/zinc/59/46/47/1028594647.db2.gz NORBELMHQWFORZ-DNVCBOLYSA-N 1 2 345.462 3.843 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000583034473 1028594658 /nfs/dbraw/zinc/59/46/58/1028594658.db2.gz NORBELMHQWFORZ-DNVCBOLYSA-N 1 2 345.462 3.843 20 0 EHADLO CC1(c2ccccc2)CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423747828 1028595213 /nfs/dbraw/zinc/59/52/13/1028595213.db2.gz SVYFVSDWMAGUBA-GOSISDBHSA-N 1 2 344.405 3.545 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCOc2ccccc2C)c1 ZINC000074190489 1028599978 /nfs/dbraw/zinc/59/99/78/1028599978.db2.gz RZYARSQDBWPDST-UHFFFAOYSA-N 1 2 349.434 3.640 20 0 EHADLO CCCCc1nnc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000074397772 1028610702 /nfs/dbraw/zinc/61/07/02/1028610702.db2.gz CFKWBYQSNMCOLF-UHFFFAOYSA-N 1 2 341.440 3.627 20 0 EHADLO Cc1cc(N2CCN(c3cc(Cl)ccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000523873685 1028683124 /nfs/dbraw/zinc/68/31/24/1028683124.db2.gz OHSKPLGDTPFULL-UHFFFAOYSA-N 1 2 342.874 3.951 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000246857037 1028702224 /nfs/dbraw/zinc/70/22/24/1028702224.db2.gz CDYCKBBWYOWCKC-ZIAGYGMSSA-N 1 2 340.414 3.573 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000246857037 1028702242 /nfs/dbraw/zinc/70/22/42/1028702242.db2.gz CDYCKBBWYOWCKC-ZIAGYGMSSA-N 1 2 340.414 3.573 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000523905725 1028711021 /nfs/dbraw/zinc/71/10/21/1028711021.db2.gz VEYHCDJSQACBQH-KRWDZBQOSA-N 1 2 344.459 3.513 20 0 EHADLO Cc1ccc2nc(C[N@@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)cn2c1 ZINC000245481660 1028726671 /nfs/dbraw/zinc/72/66/71/1028726671.db2.gz YPNOSRBZVLEORN-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO Cc1ccc2nc(C[N@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)cn2c1 ZINC000245481660 1028726685 /nfs/dbraw/zinc/72/66/85/1028726685.db2.gz YPNOSRBZVLEORN-OYLFLEFRSA-N 1 2 341.480 3.573 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1C1CCC1 ZINC000343031467 1028727815 /nfs/dbraw/zinc/72/78/15/1028727815.db2.gz BISFGHVSWXROEA-INIZCTEOSA-N 1 2 348.516 3.925 20 0 EHADLO CC[C@@H]1C[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000583067172 1028731445 /nfs/dbraw/zinc/73/14/45/1028731445.db2.gz BMMYRXWFNFMMME-ZBFHGGJFSA-N 1 2 336.439 3.769 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2nc(C(F)(F)F)cs2)c1C ZINC000532733039 1028734886 /nfs/dbraw/zinc/73/48/86/1028734886.db2.gz WFMQYBDLDAYSBN-UHFFFAOYSA-N 1 2 331.363 3.819 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000247084583 1028743568 /nfs/dbraw/zinc/74/35/68/1028743568.db2.gz ZQNBCVUUJCAWJY-GDBMZVCRSA-N 1 2 331.485 3.927 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000247084583 1028743584 /nfs/dbraw/zinc/74/35/84/1028743584.db2.gz ZQNBCVUUJCAWJY-GDBMZVCRSA-N 1 2 331.485 3.927 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)n2)C1 ZINC000421747242 1028749031 /nfs/dbraw/zinc/74/90/31/1028749031.db2.gz HFHZQTJGADEFQP-KBUPBQIOSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)n2)C1 ZINC000421747242 1028749042 /nfs/dbraw/zinc/74/90/42/1028749042.db2.gz HFHZQTJGADEFQP-KBUPBQIOSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@H](CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)Cn1cc[nH+]c1 ZINC000153789349 1028754489 /nfs/dbraw/zinc/75/44/89/1028754489.db2.gz UCCYIQJLLPNVFU-OAHLLOKOSA-N 1 2 331.419 3.520 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247357175 1028781132 /nfs/dbraw/zinc/78/11/32/1028781132.db2.gz HBJSICRESRVKTN-DOTOQJQBSA-N 1 2 333.453 3.527 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000247357175 1028781145 /nfs/dbraw/zinc/78/11/45/1028781145.db2.gz HBJSICRESRVKTN-DOTOQJQBSA-N 1 2 333.453 3.527 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245538837 1028781729 /nfs/dbraw/zinc/78/17/29/1028781729.db2.gz KMGFGLGYTOXVCF-APWZRJJASA-N 1 2 325.456 3.732 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245538837 1028781744 /nfs/dbraw/zinc/78/17/44/1028781744.db2.gz KMGFGLGYTOXVCF-APWZRJJASA-N 1 2 325.456 3.732 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)c1cc(C)n(C)c1C)CCC2 ZINC000532741555 1028782832 /nfs/dbraw/zinc/78/28/32/1028782832.db2.gz VRXYAUKYRKTYBK-MRXNPFEDSA-N 1 2 345.512 3.853 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)c1cc(C)n(C)c1C)CCC2 ZINC000532741555 1028782837 /nfs/dbraw/zinc/78/28/37/1028782837.db2.gz VRXYAUKYRKTYBK-MRXNPFEDSA-N 1 2 345.512 3.853 20 0 EHADLO COc1cccc([C@@H](CN[C@@H](C)c2ccncc2Cl)[NH+](C)C)c1 ZINC000421800028 1028786363 /nfs/dbraw/zinc/78/63/63/1028786363.db2.gz GBXQQNZPHGXORB-SCLBCKFNSA-N 1 2 333.863 3.697 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H](C)c1ccccc1 ZINC000247620340 1028787838 /nfs/dbraw/zinc/78/78/38/1028787838.db2.gz NDQBWVNCTFMXPL-SFNKJDCFSA-N 1 2 340.471 3.668 20 0 EHADLO CC(C)c1ccc(O[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000583088224 1028788535 /nfs/dbraw/zinc/78/85/35/1028788535.db2.gz XOQDSRXHFFSCBK-CVEARBPZSA-N 1 2 329.444 3.541 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143557683 1028791812 /nfs/dbraw/zinc/79/18/12/1028791812.db2.gz MALFXJIVDQDDTK-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001143557683 1028791819 /nfs/dbraw/zinc/79/18/19/1028791819.db2.gz MALFXJIVDQDDTK-GFCCVEGCSA-N 1 2 341.398 3.527 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)cs1 ZINC000247490770 1028795731 /nfs/dbraw/zinc/79/57/31/1028795731.db2.gz LOGJLHAQIODGIC-RDBSUJKOSA-N 1 2 331.485 3.622 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1SCCc2sccc21 ZINC000079516944 1028808148 /nfs/dbraw/zinc/80/81/48/1028808148.db2.gz NJRNNGXREIMCSR-MRXNPFEDSA-N 1 2 341.461 3.903 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000424122537 1028817406 /nfs/dbraw/zinc/81/74/06/1028817406.db2.gz GYMWXIQRMOPBFI-UWVGGRQHSA-N 1 2 349.422 3.602 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247791346 1028818566 /nfs/dbraw/zinc/81/85/66/1028818566.db2.gz ZDJOAHIOJMNIGI-FRQCXROJSA-N 1 2 343.446 3.701 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000247855688 1028819880 /nfs/dbraw/zinc/81/98/80/1028819880.db2.gz XSQKFCZNQRTRTR-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000247855688 1028819893 /nfs/dbraw/zinc/81/98/93/1028819893.db2.gz XSQKFCZNQRTRTR-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247964131 1028833364 /nfs/dbraw/zinc/83/33/64/1028833364.db2.gz DHKMUZZWIMLXPY-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247964131 1028833382 /nfs/dbraw/zinc/83/33/82/1028833382.db2.gz DHKMUZZWIMLXPY-CXAGYDPISA-N 1 2 334.366 3.818 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000445495363 1028874042 /nfs/dbraw/zinc/87/40/42/1028874042.db2.gz UFCVZZCJAAKDEI-HZPDHXFCSA-N 1 2 330.255 3.936 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000445495363 1028874063 /nfs/dbraw/zinc/87/40/63/1028874063.db2.gz UFCVZZCJAAKDEI-HZPDHXFCSA-N 1 2 330.255 3.936 20 0 EHADLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccn(C(F)F)n1 ZINC000424200965 1028886384 /nfs/dbraw/zinc/88/63/84/1028886384.db2.gz NOCGKLCZRCQKSU-UHFFFAOYSA-N 1 2 329.778 3.965 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)s1 ZINC000424202599 1028889508 /nfs/dbraw/zinc/88/95/08/1028889508.db2.gz QAUZTCOIWVFGLB-SECBINFHSA-N 1 2 347.465 3.699 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000445543568 1028904512 /nfs/dbraw/zinc/90/45/12/1028904512.db2.gz MIDSLAHNSKHYLY-QHCPKHFHSA-N 1 2 328.412 3.519 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)ccc2[nH+]1 ZINC000524131097 1028911465 /nfs/dbraw/zinc/91/14/65/1028911465.db2.gz DLXGBKSXZXQTFR-YOEHRIQHSA-N 1 2 344.459 3.606 20 0 EHADLO Cc1nnc(C[NH+]2CCC(Cc3nc(C(C)(C)C)cs3)CC2)o1 ZINC000639813529 1028931885 /nfs/dbraw/zinc/93/18/85/1028931885.db2.gz YJGPMFQWOIMKLS-UHFFFAOYSA-N 1 2 334.489 3.587 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475631828 1028941901 /nfs/dbraw/zinc/94/19/01/1028941901.db2.gz PDHRDUXIMQYFNS-AWEZNQCLSA-N 1 2 335.391 3.537 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@]2(CCOC2)O1 ZINC000475631828 1028941914 /nfs/dbraw/zinc/94/19/14/1028941914.db2.gz PDHRDUXIMQYFNS-AWEZNQCLSA-N 1 2 335.391 3.537 20 0 EHADLO Cn1c(SCc2c[nH+]cn2Cc2ccccc2)nnc1C1CCC1 ZINC000445591391 1028953895 /nfs/dbraw/zinc/95/38/95/1028953895.db2.gz KNTCIMUJFNPNRT-UHFFFAOYSA-N 1 2 339.468 3.620 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123577410 1028959300 /nfs/dbraw/zinc/95/93/00/1028959300.db2.gz BGPQVQCJUAYJKO-JENIJYKNSA-N 1 2 325.456 3.795 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000245654029 1028979441 /nfs/dbraw/zinc/97/94/41/1028979441.db2.gz DAUJWVXISAIADC-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000245654029 1028979456 /nfs/dbraw/zinc/97/94/56/1028979456.db2.gz DAUJWVXISAIADC-UONOGXRCSA-N 1 2 331.847 3.605 20 0 EHADLO C[C@H]1CCN(C(=O)c2csc3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000123680352 1028993711 /nfs/dbraw/zinc/99/37/11/1028993711.db2.gz VLNPWDNAKSOGTK-BBRMVZONSA-N 1 2 329.469 3.547 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000524252500 1029009309 /nfs/dbraw/zinc/00/93/09/1029009309.db2.gz NVPCIEIHPXHOEA-APWZRJJASA-N 1 2 327.476 3.755 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000524252500 1029009324 /nfs/dbraw/zinc/00/93/24/1029009324.db2.gz NVPCIEIHPXHOEA-APWZRJJASA-N 1 2 327.476 3.755 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCn1cc[nH+]c1 ZINC000434164816 1029009445 /nfs/dbraw/zinc/00/94/45/1029009445.db2.gz SQLBGFJJSRLHPV-NSHDSACASA-N 1 2 338.238 3.726 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2OC2CCC2)c[nH+]1 ZINC000454526064 1029016375 /nfs/dbraw/zinc/01/63/75/1029016375.db2.gz HMRSCDNIRZJXJR-UHFFFAOYSA-N 1 2 339.439 3.629 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCN(C)c2ccccc2)cs1 ZINC000076728703 1029041005 /nfs/dbraw/zinc/04/10/05/1029041005.db2.gz PNFDAKXCYGYJIM-OAHLLOKOSA-N 1 2 333.501 3.809 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCN(C)c2ccccc2)cs1 ZINC000076728703 1029041013 /nfs/dbraw/zinc/04/10/13/1029041013.db2.gz PNFDAKXCYGYJIM-OAHLLOKOSA-N 1 2 333.501 3.809 20 0 EHADLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(F)c1 ZINC000393316701 1029051976 /nfs/dbraw/zinc/05/19/76/1029051976.db2.gz SXXWHMDGTJUSIK-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO CCC1(CC)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000445700551 1029064471 /nfs/dbraw/zinc/06/44/71/1029064471.db2.gz WAELERRPIHAULN-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO O=C(CCC(=O)c1cccs1)Nc1ccccc1-n1cc[nH+]c1 ZINC000077030005 1029072353 /nfs/dbraw/zinc/07/23/53/1029072353.db2.gz QEWDWDYMPHIVIY-UHFFFAOYSA-N 1 2 325.393 3.535 20 0 EHADLO O=C(N[C@H](CC1CCCC1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000154290604 1029085319 /nfs/dbraw/zinc/08/53/19/1029085319.db2.gz RHIPOSVFHBTDFK-RBUKOAKNSA-N 1 2 337.467 3.883 20 0 EHADLO CC[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000504986715 1029104266 /nfs/dbraw/zinc/10/42/66/1029104266.db2.gz YZYXMZMKYULGSO-KRWDZBQOSA-N 1 2 342.508 3.976 20 0 EHADLO O=C(CC[N@H+]1CCC[C@@H]1C(F)F)Nc1ccc(Br)cc1 ZINC000353167145 1029138392 /nfs/dbraw/zinc/13/83/92/1029138392.db2.gz LPBVBLACOXUGJS-GFCCVEGCSA-N 1 2 347.203 3.507 20 0 EHADLO O=C(CC[N@@H+]1CCC[C@@H]1C(F)F)Nc1ccc(Br)cc1 ZINC000353167145 1029138397 /nfs/dbraw/zinc/13/83/97/1029138397.db2.gz LPBVBLACOXUGJS-GFCCVEGCSA-N 1 2 347.203 3.507 20 0 EHADLO C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2ccc(F)cc2O1 ZINC000445805391 1029142665 /nfs/dbraw/zinc/14/26/65/1029142665.db2.gz JZQBJQGLMSANFF-HNNXBMFYSA-N 1 2 337.398 3.858 20 0 EHADLO CSc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000271733168 1029143595 /nfs/dbraw/zinc/14/35/95/1029143595.db2.gz SRGGXWDBNIDWFY-UHFFFAOYSA-N 1 2 330.457 3.852 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cncn1Cc1ccccc1 ZINC000445807894 1029145460 /nfs/dbraw/zinc/14/54/60/1029145460.db2.gz NYTUYEGWHGTGTE-HNNXBMFYSA-N 1 2 339.414 3.930 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(C(F)F)CCCC1 ZINC000614948629 1029147494 /nfs/dbraw/zinc/14/74/94/1029147494.db2.gz NXKSMCPFIXEARB-CQSZACIVSA-N 1 2 333.382 3.626 20 0 EHADLO c1cc([C@H]2CN(Cc3c[nH+]cn3Cc3ccccc3)CCO2)cs1 ZINC000445819033 1029159424 /nfs/dbraw/zinc/15/94/24/1029159424.db2.gz NTUIVFZBVAHTAR-LJQANCHMSA-N 1 2 339.464 3.566 20 0 EHADLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc2n1CCCC2 ZINC000271774039 1029165133 /nfs/dbraw/zinc/16/51/33/1029165133.db2.gz JMDZANCORXQCGK-KRWDZBQOSA-N 1 2 342.487 3.890 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000424594098 1029175406 /nfs/dbraw/zinc/17/54/06/1029175406.db2.gz QFHLTYNZMGMROH-UHFFFAOYSA-N 1 2 335.451 3.666 20 0 EHADLO CCCc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000124387101 1029210892 /nfs/dbraw/zinc/21/08/92/1029210892.db2.gz HYHBLCYUFRSGGR-BBRMVZONSA-N 1 2 331.485 3.929 20 0 EHADLO CSCc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000343106997 1029223324 /nfs/dbraw/zinc/22/33/24/1029223324.db2.gz OPEAIOBCHNKRAG-UHFFFAOYSA-N 1 2 337.448 3.665 20 0 EHADLO C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000454734091 1029244919 /nfs/dbraw/zinc/24/49/19/1029244919.db2.gz HUZMTSFQGKEMJK-HOTGVXAUSA-N 1 2 345.487 3.780 20 0 EHADLO CSCc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000615025081 1029261672 /nfs/dbraw/zinc/26/16/72/1029261672.db2.gz SFLFLKOPGGJHNV-UHFFFAOYSA-N 1 2 326.425 3.519 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)N[C@H](CC2CCCCC2)C(C)(C)C)c1 ZINC000458431968 1029271099 /nfs/dbraw/zinc/27/10/99/1029271099.db2.gz YHMPPSFQVAPJEB-QGZVFWFLSA-N 1 2 334.508 3.647 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1C ZINC000278141688 1029292967 /nfs/dbraw/zinc/29/29/67/1029292967.db2.gz RYRZBXRLNQUMMA-XJKSGUPXSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1cc(Cl)c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1C ZINC000278141688 1029292983 /nfs/dbraw/zinc/29/29/83/1029292983.db2.gz RYRZBXRLNQUMMA-XJKSGUPXSA-N 1 2 347.846 3.933 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000154784365 1029299270 /nfs/dbraw/zinc/29/92/70/1029299270.db2.gz RDLLFWJTQQBFRG-LSDHHAIUSA-N 1 2 348.491 3.790 20 0 EHADLO CO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cs1 ZINC000272083109 1029303517 /nfs/dbraw/zinc/30/35/17/1029303517.db2.gz LWXILWDFOUNIRC-AWEZNQCLSA-N 1 2 334.485 3.624 20 0 EHADLO CO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)cs1 ZINC000272083109 1029303532 /nfs/dbraw/zinc/30/35/32/1029303532.db2.gz LWXILWDFOUNIRC-AWEZNQCLSA-N 1 2 334.485 3.624 20 0 EHADLO CSc1ccc(C)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000272089232 1029304784 /nfs/dbraw/zinc/30/47/84/1029304784.db2.gz MXTLRLBUNVDQLR-UHFFFAOYSA-N 1 2 330.457 3.782 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245808146 1029321811 /nfs/dbraw/zinc/32/18/11/1029321811.db2.gz YXCCQVWDHXNVSA-CRAIPNDOSA-N 1 2 327.424 3.666 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245808146 1029321828 /nfs/dbraw/zinc/32/18/28/1029321828.db2.gz YXCCQVWDHXNVSA-CRAIPNDOSA-N 1 2 327.424 3.666 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000424820944 1029365295 /nfs/dbraw/zinc/36/52/95/1029365295.db2.gz MBJYAWQLZROXSF-JFIYKMOQSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000124904959 1029366271 /nfs/dbraw/zinc/36/62/71/1029366271.db2.gz ADDPTCJLFUTANZ-KZULUSFZSA-N 1 2 340.402 3.535 20 0 EHADLO Cc1cscc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255608096 1029372796 /nfs/dbraw/zinc/37/27/96/1029372796.db2.gz YZRLLHJWTRRHIG-YVMONPNESA-N 1 2 326.465 3.528 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc2sccc2c1 ZINC000357780550 1029380243 /nfs/dbraw/zinc/38/02/43/1029380243.db2.gz NBQOXCBBOROCCM-UHFFFAOYSA-N 1 2 340.452 3.598 20 0 EHADLO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000154958326 1029385766 /nfs/dbraw/zinc/38/57/66/1029385766.db2.gz LVPDHEOCTWEUQQ-GOSISDBHSA-N 1 2 335.451 3.755 20 0 EHADLO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000154958326 1029385776 /nfs/dbraw/zinc/38/57/76/1029385776.db2.gz LVPDHEOCTWEUQQ-GOSISDBHSA-N 1 2 335.451 3.755 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C)[C@H](C)O1 ZINC000446071034 1029387995 /nfs/dbraw/zinc/38/79/95/1029387995.db2.gz LLXVRORJPVBSPL-AGIUHOORSA-N 1 2 349.272 3.995 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C)[C@H](C)O1 ZINC000446071034 1029388015 /nfs/dbraw/zinc/38/80/15/1029388015.db2.gz LLXVRORJPVBSPL-AGIUHOORSA-N 1 2 349.272 3.995 20 0 EHADLO Cc1cccc(-c2noc([C@H]([NH3+])c3ccc(Br)cc3)n2)c1 ZINC001212091569 1029391024 /nfs/dbraw/zinc/39/10/24/1029391024.db2.gz ZJVWINIKIAGDEG-CQSZACIVSA-N 1 2 344.212 3.856 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000272297249 1029404440 /nfs/dbraw/zinc/40/44/40/1029404440.db2.gz TUIKAMBDHHVMRQ-MYYSRTQBSA-N 1 2 343.496 3.982 20 0 EHADLO COC(=O)C[N@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)C1CC1 ZINC000583254948 1029430741 /nfs/dbraw/zinc/43/07/41/1029430741.db2.gz HQYOQGAPPSNWTQ-WQLSENKSSA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)C[N@@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)C1CC1 ZINC000583254948 1029430753 /nfs/dbraw/zinc/43/07/53/1029430753.db2.gz HQYOQGAPPSNWTQ-WQLSENKSSA-N 1 2 327.346 3.746 20 0 EHADLO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000454929888 1029468327 /nfs/dbraw/zinc/46/83/27/1029468327.db2.gz RFPJSMVAIJLFEL-KGLIPLIRSA-N 1 2 343.858 3.851 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454942937 1029481780 /nfs/dbraw/zinc/48/17/80/1029481780.db2.gz ZNWGMLDWYXAKFA-AWEZNQCLSA-N 1 2 329.469 3.981 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)NC(C1CC1)C1CC1 ZINC000533221866 1029485170 /nfs/dbraw/zinc/48/51/70/1029485170.db2.gz FEATVMWENRUXKA-KRWDZBQOSA-N 1 2 332.875 3.782 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)NC(C1CC1)C1CC1 ZINC000533221866 1029485174 /nfs/dbraw/zinc/48/51/74/1029485174.db2.gz FEATVMWENRUXKA-KRWDZBQOSA-N 1 2 332.875 3.782 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000533221944 1029485297 /nfs/dbraw/zinc/48/52/97/1029485297.db2.gz ZOJFJSFFTWCHSB-CQSZACIVSA-N 1 2 346.858 3.832 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000533221944 1029485302 /nfs/dbraw/zinc/48/53/02/1029485302.db2.gz ZOJFJSFFTWCHSB-CQSZACIVSA-N 1 2 346.858 3.832 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NC(C1CC1)C1CC1 ZINC000533221867 1029485543 /nfs/dbraw/zinc/48/55/43/1029485543.db2.gz FEATVMWENRUXKA-QGZVFWFLSA-N 1 2 332.875 3.782 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NC(C1CC1)C1CC1 ZINC000533221867 1029485553 /nfs/dbraw/zinc/48/55/53/1029485553.db2.gz FEATVMWENRUXKA-QGZVFWFLSA-N 1 2 332.875 3.782 20 0 EHADLO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)cc(Cl)c1OC ZINC000505361118 1029489044 /nfs/dbraw/zinc/48/90/44/1029489044.db2.gz CXKXZNPKMZUAOJ-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000533241995 1029502173 /nfs/dbraw/zinc/50/21/73/1029502173.db2.gz XSBFAAVBFKSVIE-JKSUJKDBSA-N 1 2 328.431 3.832 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000533241995 1029502179 /nfs/dbraw/zinc/50/21/79/1029502179.db2.gz XSBFAAVBFKSVIE-JKSUJKDBSA-N 1 2 328.431 3.832 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000665923594 1029504186 /nfs/dbraw/zinc/50/41/86/1029504186.db2.gz IXSHKXNEROSABY-HXUWFJFHSA-N 1 2 345.446 3.675 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000446232814 1029514575 /nfs/dbraw/zinc/51/45/75/1029514575.db2.gz AWMSHKINYBVREX-INIZCTEOSA-N 1 2 344.503 3.840 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CC[C@H](COc4ccccc4)C3)no2)cs1 ZINC000272633330 1029543836 /nfs/dbraw/zinc/54/38/36/1029543836.db2.gz WPHFCCBFFZOWCY-AWEZNQCLSA-N 1 2 341.436 3.699 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)no2)cs1 ZINC000272633330 1029543847 /nfs/dbraw/zinc/54/38/47/1029543847.db2.gz WPHFCCBFFZOWCY-AWEZNQCLSA-N 1 2 341.436 3.699 20 0 EHADLO CC[N@H+](Cc1cnc(N)s1)Cc1ccccc1Br ZINC000262141239 1029564068 /nfs/dbraw/zinc/56/40/68/1029564068.db2.gz ZEITVYFMVUPQNM-UHFFFAOYSA-N 1 2 326.263 3.510 20 0 EHADLO CC[N@@H+](Cc1cnc(N)s1)Cc1ccccc1Br ZINC000262141239 1029564072 /nfs/dbraw/zinc/56/40/72/1029564072.db2.gz ZEITVYFMVUPQNM-UHFFFAOYSA-N 1 2 326.263 3.510 20 0 EHADLO C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000079210972 1029586716 /nfs/dbraw/zinc/58/67/16/1029586716.db2.gz VMUZTNHUDZREBW-VQIMIIECSA-N 1 2 340.471 3.652 20 0 EHADLO CCOc1cc(CNc2ccc(N(C)C)c[nH+]2)ccc1OC(F)F ZINC000150897683 1029624826 /nfs/dbraw/zinc/62/48/26/1029624826.db2.gz QKOWIJRXWRLNIK-UHFFFAOYSA-N 1 2 337.370 3.760 20 0 EHADLO CN(C)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000126093008 1029663737 /nfs/dbraw/zinc/66/37/37/1029663737.db2.gz WQWFOTUDDRQVIA-RTBURBONSA-N 1 2 338.430 3.531 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001142092039 1029680244 /nfs/dbraw/zinc/68/02/44/1029680244.db2.gz LPQYZLACPUVSNH-TVQRCGJNSA-N 1 2 348.643 3.852 20 0 EHADLO Fc1ccc(Br)c(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001142092039 1029680246 /nfs/dbraw/zinc/68/02/46/1029680246.db2.gz LPQYZLACPUVSNH-TVQRCGJNSA-N 1 2 348.643 3.852 20 0 EHADLO Clc1cccc(-n2ccnc2)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000648606663 1029711114 /nfs/dbraw/zinc/71/11/14/1029711114.db2.gz YMPXNJAXCICAFH-UHFFFAOYSA-N 1 2 344.871 3.761 20 0 EHADLO C[C@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126610675 1029754274 /nfs/dbraw/zinc/75/42/74/1029754274.db2.gz HQCRYXQMKUYDLR-UKVPQWCUSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000428612514 1029759883 /nfs/dbraw/zinc/75/98/83/1029759883.db2.gz RNNPFRXYUCETLF-VYDXJSESSA-N 1 2 326.444 3.763 20 0 EHADLO FC(F)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278238573 1029771659 /nfs/dbraw/zinc/77/16/59/1029771659.db2.gz YWXLEVWIADILGJ-UONOGXRCSA-N 1 2 335.354 3.600 20 0 EHADLO FC(F)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278238573 1029771665 /nfs/dbraw/zinc/77/16/65/1029771665.db2.gz YWXLEVWIADILGJ-UONOGXRCSA-N 1 2 335.354 3.600 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+]Cc2csc(C)n2)cc1Cl ZINC000126617431 1029774031 /nfs/dbraw/zinc/77/40/31/1029774031.db2.gz VYEXSNRFSKCRIU-SECBINFHSA-N 1 2 326.849 3.973 20 0 EHADLO Cc1cc(CN2CC[NH+](Cc3ccsc3)CC2)c2ccccc2n1 ZINC000536016420 1029788253 /nfs/dbraw/zinc/78/82/53/1029788253.db2.gz CQYVZIOAUDWSOC-UHFFFAOYSA-N 1 2 337.492 3.923 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000156271202 1029792072 /nfs/dbraw/zinc/79/20/72/1029792072.db2.gz DVGQVYGWMMGNMA-INIZCTEOSA-N 1 2 336.439 3.695 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000156327435 1029815253 /nfs/dbraw/zinc/81/52/53/1029815253.db2.gz GKEDHURBOBIDMX-HNNXBMFYSA-N 1 2 348.406 3.580 20 0 EHADLO CCCCCn1cc(C[NH2+]Cc2nc3cc(F)ccc3o2)c(C)n1 ZINC000634973726 1029822923 /nfs/dbraw/zinc/82/29/23/1029822923.db2.gz JHPPSLYNVFELOD-UHFFFAOYSA-N 1 2 330.407 3.952 20 0 EHADLO Fc1ccc2oc(C[NH2+]C[C@@H](OC3CCCC3)C(F)(F)F)nc2c1 ZINC000634985820 1029852409 /nfs/dbraw/zinc/85/24/09/1029852409.db2.gz DJNNFANGTWAMEC-CQSZACIVSA-N 1 2 346.324 3.947 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000126705969 1029853456 /nfs/dbraw/zinc/85/34/56/1029853456.db2.gz MQKPQWWSHOBFLF-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO O=C(C/C=C/c1ccccc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817155 1029866323 /nfs/dbraw/zinc/86/63/23/1029866323.db2.gz QOBLIRYYLLZICG-HWKANZROSA-N 1 2 344.455 3.635 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481747520 1029892922 /nfs/dbraw/zinc/89/29/22/1029892922.db2.gz HRBBRLFNHPHSMB-UHFFFAOYSA-N 1 2 338.476 3.894 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481747520 1029892937 /nfs/dbraw/zinc/89/29/37/1029892937.db2.gz HRBBRLFNHPHSMB-UHFFFAOYSA-N 1 2 338.476 3.894 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486120 1029899268 /nfs/dbraw/zinc/89/92/68/1029899268.db2.gz AQIGKJDNRCBJOL-LHSJRXKWSA-N 1 2 348.402 3.999 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486120 1029899285 /nfs/dbraw/zinc/89/92/85/1029899285.db2.gz AQIGKJDNRCBJOL-LHSJRXKWSA-N 1 2 348.402 3.999 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455764282 1029904273 /nfs/dbraw/zinc/90/42/73/1029904273.db2.gz CXOZVUOMTGPGEU-UHFFFAOYSA-N 1 2 334.370 3.933 20 0 EHADLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cnn1C1CCCC1 ZINC000278276063 1029907171 /nfs/dbraw/zinc/90/71/71/1029907171.db2.gz ZJZDKCZLSCVMLP-UHFFFAOYSA-N 1 2 349.438 3.804 20 0 EHADLO CCc1ccc([C@@H]2CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000458561618 1029945803 /nfs/dbraw/zinc/94/58/03/1029945803.db2.gz JRTPNXQZDNHFKF-LJQANCHMSA-N 1 2 348.450 3.596 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000343262697 1029968614 /nfs/dbraw/zinc/96/86/14/1029968614.db2.gz DPOSWYFORLCJBH-AWEZNQCLSA-N 1 2 345.406 3.548 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000583508931 1029983672 /nfs/dbraw/zinc/98/36/72/1029983672.db2.gz YDRHFEWBJOJZQW-QMTHXVAHSA-N 1 2 335.860 3.595 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000583508931 1029983685 /nfs/dbraw/zinc/98/36/85/1029983685.db2.gz YDRHFEWBJOJZQW-QMTHXVAHSA-N 1 2 335.860 3.595 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)no1 ZINC000453283248 1030024889 /nfs/dbraw/zinc/02/48/89/1030024889.db2.gz MMRVCVBZAPXYAL-FZMZJTMJSA-N 1 2 328.334 3.776 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000525678664 1030025955 /nfs/dbraw/zinc/02/59/55/1030025955.db2.gz DNSGKWSROKRQFC-HXUWFJFHSA-N 1 2 345.446 3.683 20 0 EHADLO CCCCCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343274298 1030046538 /nfs/dbraw/zinc/04/65/38/1030046538.db2.gz GLMIRDBIODRSOU-UHFFFAOYSA-N 1 2 339.443 3.842 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)cc2C)c1C ZINC000058601118 1030053629 /nfs/dbraw/zinc/05/36/29/1030053629.db2.gz ZOWGGESCIYOJAZ-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(C)c(C)c4ncccc34)[nH+]c12 ZINC000525731464 1030063938 /nfs/dbraw/zinc/06/39/38/1030063938.db2.gz UQSRLHCIBCHWTP-UHFFFAOYSA-N 1 2 344.418 3.989 20 0 EHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nn(C)cc1Br ZINC000453302764 1030068870 /nfs/dbraw/zinc/06/88/70/1030068870.db2.gz AVPFBIJPYLNEMV-FZMZJTMJSA-N 1 2 334.261 3.829 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1F ZINC000343284036 1030089817 /nfs/dbraw/zinc/08/98/17/1030089817.db2.gz OHMGZUAYCXZGHD-HNNXBMFYSA-N 1 2 341.430 3.631 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000525782629 1030118125 /nfs/dbraw/zinc/11/81/25/1030118125.db2.gz KJSWAFOJNXJTIQ-GOSISDBHSA-N 1 2 346.471 3.903 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000525782629 1030118130 /nfs/dbraw/zinc/11/81/30/1030118130.db2.gz KJSWAFOJNXJTIQ-GOSISDBHSA-N 1 2 346.471 3.903 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000428481267 1030132876 /nfs/dbraw/zinc/13/28/76/1030132876.db2.gz JSQVNOYDYRTQCO-DLBZAZTESA-N 1 2 334.508 3.836 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000128292834 1030133800 /nfs/dbraw/zinc/13/38/00/1030133800.db2.gz CASRCQXLPCSUEU-UHFFFAOYSA-N 1 2 335.517 3.610 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120975848 1030143187 /nfs/dbraw/zinc/14/31/87/1030143187.db2.gz JCCGRXKNORDDKN-ZDUSSCGKSA-N 1 2 325.522 3.873 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120975848 1030143195 /nfs/dbraw/zinc/14/31/95/1030143195.db2.gz JCCGRXKNORDDKN-ZDUSSCGKSA-N 1 2 325.522 3.873 20 0 EHADLO CCCOc1cccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058957413 1030143411 /nfs/dbraw/zinc/14/34/11/1030143411.db2.gz PKWCIFDANJJDOG-UHFFFAOYSA-N 1 2 342.439 3.768 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000453365656 1030178837 /nfs/dbraw/zinc/17/88/37/1030178837.db2.gz SPEDESLSIMAGGZ-UHIISALHSA-N 1 2 335.835 3.910 20 0 EHADLO COc1ccccc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657771808 1030195585 /nfs/dbraw/zinc/19/55/85/1030195585.db2.gz GMFSHXDSQTVYBN-CQSZACIVSA-N 1 2 326.223 3.825 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H]2CCCc3c2cnn3C)c2ccco2)cc1 ZINC000453404833 1030210664 /nfs/dbraw/zinc/21/06/64/1030210664.db2.gz NXHZYUDZDSVYEM-FXAWDEMLSA-N 1 2 337.423 3.778 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(F)(F)c1ccccc1)C2 ZINC000583597057 1030230743 /nfs/dbraw/zinc/23/07/43/1030230743.db2.gz QMFSRWTVXIJPNK-CYBMUJFWSA-N 1 2 347.409 3.546 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(F)(F)c1ccccc1)CC2 ZINC000583597057 1030230757 /nfs/dbraw/zinc/23/07/57/1030230757.db2.gz QMFSRWTVXIJPNK-CYBMUJFWSA-N 1 2 347.409 3.546 20 0 EHADLO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000482162426 1030234482 /nfs/dbraw/zinc/23/44/82/1030234482.db2.gz HCTQNKJQOIUONQ-UHFFFAOYSA-N 1 2 343.471 3.534 20 0 EHADLO CC(C)Cn1nccc1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000657772881 1030242602 /nfs/dbraw/zinc/24/26/02/1030242602.db2.gz JKHIJGUSAOEVQI-OAHLLOKOSA-N 1 2 342.270 3.669 20 0 EHADLO CCn1c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000537636032 1030254913 /nfs/dbraw/zinc/25/49/13/1030254913.db2.gz USPSXKGHCVPFTP-UHFFFAOYSA-N 1 2 343.471 3.610 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000476572483 1030263731 /nfs/dbraw/zinc/26/37/31/1030263731.db2.gz LCVQKUAYOKTVAO-PBHICJAKSA-N 1 2 342.405 3.726 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000476572483 1030263750 /nfs/dbraw/zinc/26/37/50/1030263750.db2.gz LCVQKUAYOKTVAO-PBHICJAKSA-N 1 2 342.405 3.726 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121570310 1030298947 /nfs/dbraw/zinc/29/89/47/1030298947.db2.gz TUKQHWCMGJYRLS-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121570310 1030298956 /nfs/dbraw/zinc/29/89/56/1030298956.db2.gz TUKQHWCMGJYRLS-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO CCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000121740677 1030355576 /nfs/dbraw/zinc/35/55/76/1030355576.db2.gz MDBRUCOMAAHYTN-UHFFFAOYSA-N 1 2 335.411 3.609 20 0 EHADLO CCCN(CC(C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000482398779 1030380055 /nfs/dbraw/zinc/38/00/55/1030380055.db2.gz YGTAIHSPGWXARC-UHFFFAOYSA-N 1 2 328.460 3.509 20 0 EHADLO COc1cc(CNc2cc(C)[nH+]c(C(C)C)n2)ccc1OC(F)F ZINC000532115073 1030386689 /nfs/dbraw/zinc/38/66/89/1030386689.db2.gz UZZHMFGGTAGPQT-UHFFFAOYSA-N 1 2 337.370 3.552 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082813 1030420560 /nfs/dbraw/zinc/42/05/60/1030420560.db2.gz IPQLIEUIMCYICJ-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082813 1030420571 /nfs/dbraw/zinc/42/05/71/1030420571.db2.gz IPQLIEUIMCYICJ-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000453628767 1030431477 /nfs/dbraw/zinc/43/14/77/1030431477.db2.gz WRQMYJOBYHCWRH-CQSZACIVSA-N 1 2 332.517 3.660 20 0 EHADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000453628767 1030431492 /nfs/dbraw/zinc/43/14/92/1030431492.db2.gz WRQMYJOBYHCWRH-CQSZACIVSA-N 1 2 332.517 3.660 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2c(F)cccc2N2CCCC2)cc1O ZINC000092405302 1030448197 /nfs/dbraw/zinc/44/81/97/1030448197.db2.gz ROUSOHYZKAWTRZ-UHFFFAOYSA-N 1 2 344.430 3.772 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2c(F)cccc2N2CCCC2)cc1O ZINC000092405302 1030448203 /nfs/dbraw/zinc/44/82/03/1030448203.db2.gz ROUSOHYZKAWTRZ-UHFFFAOYSA-N 1 2 344.430 3.772 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)nc2ccccc12 ZINC000532218791 1030485729 /nfs/dbraw/zinc/48/57/29/1030485729.db2.gz CPXZEMMFJOBHJS-CQSZACIVSA-N 1 2 349.434 3.950 20 0 EHADLO COCCc1noc(C[N@H+](C)[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000151104164 1030487379 /nfs/dbraw/zinc/48/73/79/1030487379.db2.gz XMYJOPPBZOKDJT-AWEZNQCLSA-N 1 2 331.460 3.749 20 0 EHADLO COCCc1noc(C[N@@H+](C)[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000151104164 1030487384 /nfs/dbraw/zinc/48/73/84/1030487384.db2.gz XMYJOPPBZOKDJT-AWEZNQCLSA-N 1 2 331.460 3.749 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092593521 1030488709 /nfs/dbraw/zinc/48/87/09/1030488709.db2.gz NTTBYFNFBXZRDW-GOSISDBHSA-N 1 2 339.464 3.816 20 0 EHADLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092593521 1030488726 /nfs/dbraw/zinc/48/87/26/1030488726.db2.gz NTTBYFNFBXZRDW-GOSISDBHSA-N 1 2 339.464 3.816 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594871 1030491998 /nfs/dbraw/zinc/49/19/98/1030491998.db2.gz KEWUUAXMKQQZBR-QGZVFWFLSA-N 1 2 333.453 3.729 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594871 1030492007 /nfs/dbraw/zinc/49/20/07/1030492007.db2.gz KEWUUAXMKQQZBR-QGZVFWFLSA-N 1 2 333.453 3.729 20 0 EHADLO Cc1oc2ccccc2c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343361179 1030501202 /nfs/dbraw/zinc/50/12/02/1030501202.db2.gz NLUQLMGBSLSAMG-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO FC(F)(F)c1nn(Cc2nnc(-c3ccccc3)o2)c2cc[nH+]cc21 ZINC000092917786 1030535989 /nfs/dbraw/zinc/53/59/89/1030535989.db2.gz XQGRNDSTXVZRLM-UHFFFAOYSA-N 1 2 345.284 3.548 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)s2)[C@H]1[C@@H]1CCCO1 ZINC000583721496 1030559573 /nfs/dbraw/zinc/55/95/73/1030559573.db2.gz BJKJTIFSSUEVLZ-AAEUAGOBSA-N 1 2 330.291 3.900 20 0 EHADLO Cc1ccc([C@@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc2)cc1 ZINC000122292787 1030549366 /nfs/dbraw/zinc/54/93/66/1030549366.db2.gz AANNAEZMKUBPBX-SFHVURJKSA-N 1 2 329.407 3.873 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000060486538 1030549882 /nfs/dbraw/zinc/54/98/82/1030549882.db2.gz COKFJJUMKIBGSK-UHFFFAOYSA-N 1 2 346.446 3.595 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000060486538 1030549891 /nfs/dbraw/zinc/54/98/91/1030549891.db2.gz COKFJJUMKIBGSK-UHFFFAOYSA-N 1 2 346.446 3.595 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)s2)[C@H]1[C@@H]1CCCO1 ZINC000583721496 1030559567 /nfs/dbraw/zinc/55/95/67/1030559567.db2.gz BJKJTIFSSUEVLZ-AAEUAGOBSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Br)s2)[C@@H]1[C@@H]1CCCO1 ZINC000583721498 1030560121 /nfs/dbraw/zinc/56/01/21/1030560121.db2.gz BJKJTIFSSUEVLZ-WCQYABFASA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Br)s2)[C@@H]1[C@@H]1CCCO1 ZINC000583721498 1030560127 /nfs/dbraw/zinc/56/01/27/1030560127.db2.gz BJKJTIFSSUEVLZ-WCQYABFASA-N 1 2 330.291 3.900 20 0 EHADLO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1nnc2n1CCCCC2 ZINC000532366574 1030589455 /nfs/dbraw/zinc/58/94/55/1030589455.db2.gz UHFFKKRAGZBTLT-LBPRGKRZSA-N 1 2 331.489 3.579 20 0 EHADLO Fc1cc(NCc2ccnn2-c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000447898929 1030590882 /nfs/dbraw/zinc/59/08/82/1030590882.db2.gz ZZAQOKHGAUYOEL-UHFFFAOYSA-N 1 2 333.370 3.809 20 0 EHADLO Cn1c(C[N@H+](C)Cc2c[nH]nc2-c2cccs2)nc2ccccc21 ZINC000093363941 1030591313 /nfs/dbraw/zinc/59/13/13/1030591313.db2.gz MSAYJOISXZVNSG-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2c[nH]nc2-c2cccs2)nc2ccccc21 ZINC000093363941 1030591326 /nfs/dbraw/zinc/59/13/26/1030591326.db2.gz MSAYJOISXZVNSG-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)N1c1ccccc1 ZINC000447943516 1030597157 /nfs/dbraw/zinc/59/71/57/1030597157.db2.gz KBNRDSUXLCGVKT-ZFWWWQNUSA-N 1 2 343.496 3.724 20 0 EHADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000093415377 1030607694 /nfs/dbraw/zinc/60/76/94/1030607694.db2.gz PXMODMMRTJNBSV-QGZVFWFLSA-N 1 2 335.831 3.523 20 0 EHADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(Cl)cccc2OC)cc1 ZINC000093415377 1030607706 /nfs/dbraw/zinc/60/77/06/1030607706.db2.gz PXMODMMRTJNBSV-QGZVFWFLSA-N 1 2 335.831 3.523 20 0 EHADLO CCCOc1cccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508614949 1030611036 /nfs/dbraw/zinc/61/10/36/1030611036.db2.gz MJOVHTYEBJQAJV-FCEWJHQRSA-N 1 2 348.487 3.548 20 0 EHADLO CCCOc1cccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508614949 1030611042 /nfs/dbraw/zinc/61/10/42/1030611042.db2.gz MJOVHTYEBJQAJV-FCEWJHQRSA-N 1 2 348.487 3.548 20 0 EHADLO O=c1[nH]c(C[NH2+][C@@H](c2cccnc2)C2CC2)nc2c3ccccc3oc21 ZINC000527076594 1030632547 /nfs/dbraw/zinc/63/25/47/1030632547.db2.gz HEHBVEOMOKQULY-QGZVFWFLSA-N 1 2 346.390 3.718 20 0 EHADLO C[C@@H](CCn1cccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278405091 1030637647 /nfs/dbraw/zinc/63/76/47/1030637647.db2.gz HDHVLXWAJPYJEJ-INIZCTEOSA-N 1 2 335.455 3.974 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000482682032 1030646380 /nfs/dbraw/zinc/64/63/80/1030646380.db2.gz IYQUUVAXMXWRAS-GJYPPUQNSA-N 1 2 325.456 3.734 20 0 EHADLO Cc1nc(N2CC[NH+](Cc3cnc(C(C)C)s3)CC2)sc1C ZINC000093688844 1030661765 /nfs/dbraw/zinc/66/17/65/1030661765.db2.gz UOGKFPUGXMEFAO-UHFFFAOYSA-N 1 2 336.530 3.662 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482740726 1030680807 /nfs/dbraw/zinc/68/08/07/1030680807.db2.gz JSVUIOMSEFQNAR-HNNXBMFYSA-N 1 2 349.780 3.628 20 0 EHADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482740726 1030680820 /nfs/dbraw/zinc/68/08/20/1030680820.db2.gz JSVUIOMSEFQNAR-HNNXBMFYSA-N 1 2 349.780 3.628 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)n1cc[nH+]c1 ZINC000635201097 1030683222 /nfs/dbraw/zinc/68/32/22/1030683222.db2.gz LRFNLLBTABXSSD-WOJBJXKFSA-N 1 2 348.450 3.771 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688874 1030697585 /nfs/dbraw/zinc/69/75/85/1030697585.db2.gz MINYFCCZABSVPL-HOCLYGCPSA-N 1 2 343.858 3.853 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688874 1030697590 /nfs/dbraw/zinc/69/75/90/1030697590.db2.gz MINYFCCZABSVPL-HOCLYGCPSA-N 1 2 343.858 3.853 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1c3ccccc3C[C@H]1C)C2 ZINC000527245129 1030733400 /nfs/dbraw/zinc/73/34/00/1030733400.db2.gz IUFSUANDCUWALD-ZXYWRSMDSA-N 1 2 337.467 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1c3ccccc3C[C@H]1C)CC2 ZINC000527245129 1030733418 /nfs/dbraw/zinc/73/34/18/1030733418.db2.gz IUFSUANDCUWALD-ZXYWRSMDSA-N 1 2 337.467 3.688 20 0 EHADLO Cc1nc([C@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)c2ccc(Cl)cc2)no1 ZINC000527232836 1030747627 /nfs/dbraw/zinc/74/76/27/1030747627.db2.gz HXQWJUCORDKKFO-SGIREYDYSA-N 1 2 335.835 3.526 20 0 EHADLO Cc1ccc([C@@H]([NH2+]CC(=O)NC2CCCCC2)c2ccccn2)cc1 ZINC000527318410 1030789655 /nfs/dbraw/zinc/78/96/55/1030789655.db2.gz CMTDDVLONGQKEO-OAQYLSRUSA-N 1 2 337.467 3.518 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324226 1030792854 /nfs/dbraw/zinc/79/28/54/1030792854.db2.gz YZXJIOYRPJIIDM-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000527324226 1030792867 /nfs/dbraw/zinc/79/28/67/1030792867.db2.gz YZXJIOYRPJIIDM-GCJKJVERSA-N 1 2 347.462 3.893 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C(F)F)c1 ZINC000171552520 1030794535 /nfs/dbraw/zinc/79/45/35/1030794535.db2.gz CCRZUSNKEGVYBT-UHFFFAOYSA-N 1 2 345.324 3.879 20 0 EHADLO FC(F)n1ccnc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000171973784 1030855932 /nfs/dbraw/zinc/85/59/32/1030855932.db2.gz ZFGOONDHXXAMNG-UHFFFAOYSA-N 1 2 346.425 3.553 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(C)[nH+]1 ZINC000097040113 1030883284 /nfs/dbraw/zinc/88/32/84/1030883284.db2.gz LPYFGQHPMOFSRM-SFHVURJKSA-N 1 2 340.423 3.817 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123053699 1030903306 /nfs/dbraw/zinc/90/33/06/1030903306.db2.gz YRPFPGNSEAZGKV-KRWDZBQOSA-N 1 2 340.471 3.653 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168150198 1030935139 /nfs/dbraw/zinc/93/51/39/1030935139.db2.gz SPUAMKILIWGUOI-KDOFPFPSSA-N 1 2 331.843 3.645 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000172632355 1030953302 /nfs/dbraw/zinc/95/33/02/1030953302.db2.gz UPXFDBZFIPISEC-GOSISDBHSA-N 1 2 331.419 3.577 20 0 EHADLO Cc1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccn1 ZINC000527532984 1030953497 /nfs/dbraw/zinc/95/34/97/1030953497.db2.gz JCULNIVYVIWRGT-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO Cc1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccn1 ZINC000527532984 1030953511 /nfs/dbraw/zinc/95/35/11/1030953511.db2.gz JCULNIVYVIWRGT-UHFFFAOYSA-N 1 2 338.238 3.767 20 0 EHADLO O=C(NCC1=CCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666957904 1030972837 /nfs/dbraw/zinc/97/28/37/1030972837.db2.gz IYZMLXOHNDSBJF-RBUKOAKNSA-N 1 2 336.439 3.521 20 0 EHADLO O=C(NCCCCc1ccc(F)c(F)c1)Nc1ccn2cc[nH+]c2c1 ZINC000583864503 1030979631 /nfs/dbraw/zinc/97/96/31/1030979631.db2.gz QAAXIYYHLIFRPQ-UHFFFAOYSA-N 1 2 344.365 3.757 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483172503 1031022635 /nfs/dbraw/zinc/02/26/35/1031022635.db2.gz BAZCBAKMBJOLIW-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483172503 1031022650 /nfs/dbraw/zinc/02/26/50/1031022650.db2.gz BAZCBAKMBJOLIW-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO CCC(CC)(CC)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000162399435 1031034196 /nfs/dbraw/zinc/03/41/96/1031034196.db2.gz ZRHSLEJYTZOYPK-UHFFFAOYSA-N 1 2 348.491 3.565 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1nnc2n1CCCCC2 ZINC000924623283 1031050331 /nfs/dbraw/zinc/05/03/31/1031050331.db2.gz CUDWUZJIHQQMFS-IUODEOHRSA-N 1 2 345.878 3.781 20 0 EHADLO c1coc(-c2ncc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)s2)c1 ZINC000278485878 1031057782 /nfs/dbraw/zinc/05/77/82/1031057782.db2.gz SMMPFRMJPPYJMS-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO c1coc(-c2ncc(C[N@H+]3CCO[C@H](c4ccccc4)C3)s2)c1 ZINC000278485878 1031057799 /nfs/dbraw/zinc/05/77/99/1031057799.db2.gz SMMPFRMJPPYJMS-KRWDZBQOSA-N 1 2 326.421 3.977 20 0 EHADLO CCOc1cc(C[NH2+][C@H](COC)c2ccc(C)o2)c(F)cc1OC ZINC000527670885 1031105454 /nfs/dbraw/zinc/10/54/54/1031105454.db2.gz QYBMNPSNPXJLJN-OAHLLOKOSA-N 1 2 337.391 3.612 20 0 EHADLO Cc1cnc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)s1 ZINC000173586481 1031115963 /nfs/dbraw/zinc/11/59/63/1031115963.db2.gz OZVIGHLMJZOKHR-MRXNPFEDSA-N 1 2 338.436 3.518 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483362215 1031121414 /nfs/dbraw/zinc/12/14/14/1031121414.db2.gz XQBOPDRSVDWNNJ-SCLBCKFNSA-N 1 2 325.399 3.686 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483362215 1031121420 /nfs/dbraw/zinc/12/14/20/1031121420.db2.gz XQBOPDRSVDWNNJ-SCLBCKFNSA-N 1 2 325.399 3.686 20 0 EHADLO CCC(CC)c1cc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173651733 1031127484 /nfs/dbraw/zinc/12/74/84/1031127484.db2.gz GOSJSMJUBHIYKQ-UHFFFAOYSA-N 1 2 338.411 3.694 20 0 EHADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2ccncc2)cc1 ZINC000173918934 1031132675 /nfs/dbraw/zinc/13/26/75/1031132675.db2.gz PEWRIUSUVSHQSX-CYBMUJFWSA-N 1 2 330.395 3.598 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000483421582 1031154340 /nfs/dbraw/zinc/15/43/40/1031154340.db2.gz OCLFNODSBCOTQJ-IBGZPJMESA-N 1 2 348.368 3.706 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000483421582 1031154349 /nfs/dbraw/zinc/15/43/49/1031154349.db2.gz OCLFNODSBCOTQJ-IBGZPJMESA-N 1 2 348.368 3.706 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000483423748 1031157505 /nfs/dbraw/zinc/15/75/05/1031157505.db2.gz UZOMZJFCDLIKCF-LJQANCHMSA-N 1 2 330.378 3.567 20 0 EHADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000483423748 1031157510 /nfs/dbraw/zinc/15/75/10/1031157510.db2.gz UZOMZJFCDLIKCF-LJQANCHMSA-N 1 2 330.378 3.567 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCC1 ZINC000483428156 1031160080 /nfs/dbraw/zinc/16/00/80/1031160080.db2.gz MVUYPMSJCLWSPT-AWEZNQCLSA-N 1 2 347.455 3.558 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCC1 ZINC000483428156 1031160093 /nfs/dbraw/zinc/16/00/93/1031160093.db2.gz MVUYPMSJCLWSPT-AWEZNQCLSA-N 1 2 347.455 3.558 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000483649389 1031258300 /nfs/dbraw/zinc/25/83/00/1031258300.db2.gz OOLRRIVFLWRAJU-LJQANCHMSA-N 1 2 347.842 3.888 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000483649389 1031258312 /nfs/dbraw/zinc/25/83/12/1031258312.db2.gz OOLRRIVFLWRAJU-LJQANCHMSA-N 1 2 347.842 3.888 20 0 EHADLO CO[C@@H](C)c1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000175056311 1031270275 /nfs/dbraw/zinc/27/02/75/1031270275.db2.gz ISGQADNYFLVFER-KXBFYZLASA-N 1 2 349.434 3.925 20 0 EHADLO CO[C@@H](C)c1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000175056311 1031270289 /nfs/dbraw/zinc/27/02/89/1031270289.db2.gz ISGQADNYFLVFER-KXBFYZLASA-N 1 2 349.434 3.925 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C(F)F)c1 ZINC000583973184 1031281476 /nfs/dbraw/zinc/28/14/76/1031281476.db2.gz OYCWABJIKDQOTM-YOEHRIQHSA-N 1 2 335.398 3.650 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000483715987 1031295138 /nfs/dbraw/zinc/29/51/38/1031295138.db2.gz TXLAXGYSXFYVFS-RHSMWYFYSA-N 1 2 339.863 3.693 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@@H](COC)C1 ZINC000483715987 1031295153 /nfs/dbraw/zinc/29/51/53/1031295153.db2.gz TXLAXGYSXFYVFS-RHSMWYFYSA-N 1 2 339.863 3.693 20 0 EHADLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406653 1031309982 /nfs/dbraw/zinc/30/99/82/1031309982.db2.gz JWMHHUNWZHAPFM-HNNXBMFYSA-N 1 2 329.362 3.874 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2CCC3(CC3)CC2)c1)[NH+]1CCOCC1 ZINC000668269616 1031352876 /nfs/dbraw/zinc/35/28/76/1031352876.db2.gz OQCDQQRSLTXKKC-MRXNPFEDSA-N 1 2 342.483 3.989 20 0 EHADLO COc1ccccc1-c1cc(C[NH2+]Cc2nc3c(s2)CCC3)on1 ZINC000657813868 1031360393 /nfs/dbraw/zinc/36/03/93/1031360393.db2.gz CGONMCBRSHOYIQ-UHFFFAOYSA-N 1 2 341.436 3.585 20 0 EHADLO CC(C)(C)C(=O)NC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527894504 1031389762 /nfs/dbraw/zinc/38/97/62/1031389762.db2.gz QMZVZEMDIUCVOW-OAHLLOKOSA-N 1 2 325.456 3.614 20 0 EHADLO COCc1nc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cs1 ZINC000527900209 1031424723 /nfs/dbraw/zinc/42/47/23/1031424723.db2.gz LCSWRZXKBRLURP-AWEZNQCLSA-N 1 2 326.824 3.859 20 0 EHADLO CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176724287 1031449906 /nfs/dbraw/zinc/44/99/06/1031449906.db2.gz ZDCOTJQLHSCBBY-NVXWUHKLSA-N 1 2 329.469 3.666 20 0 EHADLO CC(C)(C)c1ncsc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176577696 1031461976 /nfs/dbraw/zinc/46/19/76/1031461976.db2.gz WETKIZOQSPOBKE-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000083197583 1031483282 /nfs/dbraw/zinc/48/32/82/1031483282.db2.gz UYTGFXNXTUYHGE-SJORKVTESA-N 1 2 348.450 3.864 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000347415261 1031498962 /nfs/dbraw/zinc/49/89/62/1031498962.db2.gz ASUXLQBWTCEVBQ-LJQANCHMSA-N 1 2 339.483 3.711 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)F)c1F ZINC000527972058 1031505259 /nfs/dbraw/zinc/50/52/59/1031505259.db2.gz HRMDODXCAHBOBK-UHFFFAOYSA-N 1 2 349.356 3.557 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000484349902 1031552969 /nfs/dbraw/zinc/55/29/69/1031552969.db2.gz JVSSZDPOVHLFQD-ZDUSSCGKSA-N 1 2 332.341 3.675 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000484349902 1031552984 /nfs/dbraw/zinc/55/29/84/1031552984.db2.gz JVSSZDPOVHLFQD-ZDUSSCGKSA-N 1 2 332.341 3.675 20 0 EHADLO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177765118 1031567155 /nfs/dbraw/zinc/56/71/55/1031567155.db2.gz GJUGOSFIVDSJJA-MOEXGYKKSA-N 1 2 349.356 3.606 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000448759189 1031608284 /nfs/dbraw/zinc/60/82/84/1031608284.db2.gz MVMBFMHYMOPFAV-LSDHHAIUSA-N 1 2 341.480 3.653 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000448759189 1031608298 /nfs/dbraw/zinc/60/82/98/1031608298.db2.gz MVMBFMHYMOPFAV-LSDHHAIUSA-N 1 2 341.480 3.653 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000475725663 1031612051 /nfs/dbraw/zinc/61/20/51/1031612051.db2.gz NWGLPEGZZKKEDZ-UHFFFAOYSA-N 1 2 339.398 3.836 20 0 EHADLO Cc1ccc(-c2cncc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000178057778 1031615317 /nfs/dbraw/zinc/61/53/17/1031615317.db2.gz NKDHASPNCPQRMO-UHFFFAOYSA-N 1 2 342.402 3.635 20 0 EHADLO CCCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)sc1C ZINC000347457104 1031623753 /nfs/dbraw/zinc/62/37/53/1031623753.db2.gz YEWIPRPUYGQPME-OAHLLOKOSA-N 1 2 331.485 3.762 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(Cl)c2F)c1C ZINC000178178732 1031637880 /nfs/dbraw/zinc/63/78/80/1031637880.db2.gz CEEDJBYMXJELQC-UHFFFAOYSA-N 1 2 336.794 3.772 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000343614715 1031638453 /nfs/dbraw/zinc/63/84/53/1031638453.db2.gz HUAJDQPYGVMSEH-FQEVSTJZSA-N 1 2 327.472 3.606 20 0 EHADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000343614715 1031638465 /nfs/dbraw/zinc/63/84/65/1031638465.db2.gz HUAJDQPYGVMSEH-FQEVSTJZSA-N 1 2 327.472 3.606 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nnc(-c3ccccc3F)s2)[nH+]1 ZINC000484506127 1031650383 /nfs/dbraw/zinc/65/03/83/1031650383.db2.gz UVKRBLDWODLIMI-VIFPVBQESA-N 1 2 347.444 3.708 20 0 EHADLO CC[C@H](C)[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000343635293 1031723495 /nfs/dbraw/zinc/72/34/95/1031723495.db2.gz SPPHWYFBTNEXLE-MAUKXSAKSA-N 1 2 343.471 3.718 20 0 EHADLO Cc1cc(NC(=O)c2c(Cl)cccc2OCC2CC2)c(C)c[nH+]1 ZINC000904102519 1031728419 /nfs/dbraw/zinc/72/84/19/1031728419.db2.gz SSCFDMPPOOWLMW-UHFFFAOYSA-N 1 2 330.815 3.815 20 0 EHADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC000448837502 1031749454 /nfs/dbraw/zinc/74/94/54/1031749454.db2.gz SZWQMQBMQBEDMK-UHFFFAOYSA-N 1 2 343.858 3.723 20 0 EHADLO O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117570325 1031755043 /nfs/dbraw/zinc/75/50/43/1031755043.db2.gz VLHUCQHSTWULSB-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000551913903 1031757999 /nfs/dbraw/zinc/75/79/99/1031757999.db2.gz JTWPZQSMVVQJTA-LLVKDONJSA-N 1 2 326.227 3.800 20 0 EHADLO COc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c2cccnc12 ZINC000117628439 1031782513 /nfs/dbraw/zinc/78/25/13/1031782513.db2.gz ANUDSBBJIWDUNN-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)c[nH+]1 ZINC000551957790 1031791220 /nfs/dbraw/zinc/79/12/20/1031791220.db2.gz FSDPTSCKUZZTGD-LLVKDONJSA-N 1 2 339.222 3.833 20 0 EHADLO Cc1nscc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000179665585 1031795038 /nfs/dbraw/zinc/79/50/38/1031795038.db2.gz CGXHXRIJRVOBEE-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO CCCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c(C)c1 ZINC000151648629 1031796389 /nfs/dbraw/zinc/79/63/89/1031796389.db2.gz IBFKAUZCEZKPLR-OAHLLOKOSA-N 1 2 336.501 3.550 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000179745124 1031807732 /nfs/dbraw/zinc/80/77/32/1031807732.db2.gz LSHKNFUVLLKNEY-UHFFFAOYSA-N 1 2 333.407 3.513 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000477731303 1031813450 /nfs/dbraw/zinc/81/34/50/1031813450.db2.gz JYNAPXASDRHXRH-LJQANCHMSA-N 1 2 339.439 3.568 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000179861285 1031816645 /nfs/dbraw/zinc/81/66/45/1031816645.db2.gz LUWRXWUYNHZINH-HNNXBMFYSA-N 1 2 343.471 3.534 20 0 EHADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000179861285 1031816664 /nfs/dbraw/zinc/81/66/64/1031816664.db2.gz LUWRXWUYNHZINH-HNNXBMFYSA-N 1 2 343.471 3.534 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4ccc(O)cc4Cl)no3)[nH+]c12 ZINC000584152049 1031822843 /nfs/dbraw/zinc/82/28/43/1031822843.db2.gz PNOXWBPXXZDIHN-UHFFFAOYSA-N 1 2 340.770 3.643 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCc2cccs2)c1 ZINC000537712658 1031850631 /nfs/dbraw/zinc/85/06/31/1031850631.db2.gz FWSMORQNMOABBP-UHFFFAOYSA-N 1 2 325.437 3.605 20 0 EHADLO Cc1c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1N(C)C ZINC000180183571 1031864843 /nfs/dbraw/zinc/86/48/43/1031864843.db2.gz FEUVVLZAZADNRR-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)c(C(C)C)n1 ZINC000448913889 1031881104 /nfs/dbraw/zinc/88/11/04/1031881104.db2.gz UEFGKMMPASQGFU-UHFFFAOYSA-N 1 2 326.444 3.531 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](Cc2cccnc2)C2CCCC2)n1 ZINC000904264872 1031893154 /nfs/dbraw/zinc/89/31/54/1031893154.db2.gz BJYKLLVPTWHCBR-MRXNPFEDSA-N 1 2 349.438 3.934 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(-c2ccccc2N2CCCCC2)n1 ZINC000904268323 1031895410 /nfs/dbraw/zinc/89/54/10/1031895410.db2.gz NVRGYWKJHVIQSO-UHFFFAOYSA-N 1 2 335.411 3.680 20 0 EHADLO CC[C@H](Cc1nc(-c2c[nH+]c(N)cc2C)no1)c1ccc(OC)cc1 ZINC000904270102 1031899749 /nfs/dbraw/zinc/89/97/49/1031899749.db2.gz WSFXRQKYYBQQOV-CYBMUJFWSA-N 1 2 338.411 3.767 20 0 EHADLO COc1cccc([C@@H](C)c2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000685274437 1031900940 /nfs/dbraw/zinc/90/09/40/1031900940.db2.gz MCWDWHBEEMQRBJ-KDOFPFPSSA-N 1 2 337.423 3.881 20 0 EHADLO CC[C@@H](Cc1nc(-c2ccc(N)[nH+]c2C)no1)c1ccc(OC)cc1 ZINC000904260661 1031904177 /nfs/dbraw/zinc/90/41/77/1031904177.db2.gz SDHKOCWOFCXJRZ-ZDUSSCGKSA-N 1 2 338.411 3.767 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CCCCC(=O)c2ccccc2)n1 ZINC000904261820 1031906987 /nfs/dbraw/zinc/90/69/87/1031906987.db2.gz PCAXVINLERRCBZ-UHFFFAOYSA-N 1 2 336.395 3.618 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180776037 1031909032 /nfs/dbraw/zinc/90/90/32/1031909032.db2.gz BLZDZEKHERETTN-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ncccc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180776037 1031909052 /nfs/dbraw/zinc/90/90/52/1031909052.db2.gz BLZDZEKHERETTN-KRWDZBQOSA-N 1 2 336.357 3.982 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n1 ZINC000180890971 1031921710 /nfs/dbraw/zinc/92/17/10/1031921710.db2.gz FHTMJIOAMUIXQM-KGLIPLIRSA-N 1 2 338.411 3.690 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000181042938 1031941658 /nfs/dbraw/zinc/94/16/58/1031941658.db2.gz BCCOCWAIKSJVHY-IBGZPJMESA-N 1 2 326.440 3.964 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000181042938 1031941668 /nfs/dbraw/zinc/94/16/68/1031941668.db2.gz BCCOCWAIKSJVHY-IBGZPJMESA-N 1 2 326.440 3.964 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccccc1OC ZINC000460663813 1031943157 /nfs/dbraw/zinc/94/31/57/1031943157.db2.gz VBHSMWKTAGIEMV-UHFFFAOYSA-N 1 2 339.439 3.506 20 0 EHADLO Cc1ccc(SCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000347474423 1031974927 /nfs/dbraw/zinc/97/49/27/1031974927.db2.gz WHEFGEDQQDRJNF-INIZCTEOSA-N 1 2 343.496 3.535 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)cc1NC ZINC000584240399 1031996385 /nfs/dbraw/zinc/99/63/85/1031996385.db2.gz GNSMZFPBFZZHJK-UHFFFAOYSA-N 1 2 348.878 3.693 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507581 1032000808 /nfs/dbraw/zinc/00/08/08/1032000808.db2.gz FGHBLRBSANANPA-HZPDHXFCSA-N 1 2 332.492 3.516 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181507581 1032000819 /nfs/dbraw/zinc/00/08/19/1032000819.db2.gz FGHBLRBSANANPA-HZPDHXFCSA-N 1 2 332.492 3.516 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4ccccc4OC4CC4)n3)[nH+]c12 ZINC000685278736 1032012180 /nfs/dbraw/zinc/01/21/80/1032012180.db2.gz MVBUPSCAHCHYIZ-UHFFFAOYSA-N 1 2 346.390 3.825 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000455794948 1032018812 /nfs/dbraw/zinc/01/88/12/1032018812.db2.gz PAIKEQBYGLWWIK-HKUYNNGSSA-N 1 2 325.456 3.739 20 0 EHADLO c1nc(N2CCC(OCC3CCCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000533889714 1032029215 /nfs/dbraw/zinc/02/92/15/1032029215.db2.gz OLMODJBNPWFPSO-UHFFFAOYSA-N 1 2 344.503 3.864 20 0 EHADLO c1nc(NCC2CC2)cc(N2CCC(OCC3CCCCC3)CC2)[nH+]1 ZINC000533889714 1032029233 /nfs/dbraw/zinc/02/92/33/1032029233.db2.gz OLMODJBNPWFPSO-UHFFFAOYSA-N 1 2 344.503 3.864 20 0 EHADLO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000278696411 1032032021 /nfs/dbraw/zinc/03/20/21/1032032021.db2.gz KUCOAWPJNBNDNE-CHWSQXEVSA-N 1 2 341.411 3.848 20 0 EHADLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc(F)cc2)n1 ZINC000449017594 1032035789 /nfs/dbraw/zinc/03/57/89/1032035789.db2.gz KNEXONNRPZWMLT-QGZVFWFLSA-N 1 2 339.418 3.677 20 0 EHADLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc(F)cc2)n1 ZINC000449017594 1032035806 /nfs/dbraw/zinc/03/58/06/1032035806.db2.gz KNEXONNRPZWMLT-QGZVFWFLSA-N 1 2 339.418 3.677 20 0 EHADLO C[C@H]([NH2+]CCOCC1CCCC1)c1nc(Cc2ccccc2)no1 ZINC000459403058 1032047381 /nfs/dbraw/zinc/04/73/81/1032047381.db2.gz KLBZHYOAQGLWNL-HNNXBMFYSA-N 1 2 329.444 3.518 20 0 EHADLO CCc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000181991217 1032051920 /nfs/dbraw/zinc/05/19/20/1032051920.db2.gz IZGUYXHFGOQZIR-YJBOKZPZSA-N 1 2 326.444 3.869 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1nc(C(C)(C)C)cs1 ZINC000459395788 1032057378 /nfs/dbraw/zinc/05/73/78/1032057378.db2.gz BNOZEDZKISKWFM-SNVBAGLBSA-N 1 2 332.473 3.664 20 0 EHADLO Cc1cc(F)c(C[N@@H+]2CCCOC(C)(C)C2)cc1Br ZINC001140697842 1033299056 /nfs/dbraw/zinc/29/90/56/1033299056.db2.gz IOCLQVNKIMOUDS-UHFFFAOYSA-N 1 2 330.241 3.898 20 0 EHADLO Cc1cc(F)c(C[N@H+]2CCCOC(C)(C)C2)cc1Br ZINC001140697842 1033299067 /nfs/dbraw/zinc/29/90/67/1033299067.db2.gz IOCLQVNKIMOUDS-UHFFFAOYSA-N 1 2 330.241 3.898 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000173412544 1033311194 /nfs/dbraw/zinc/31/11/94/1033311194.db2.gz SZINVKJECQGJOB-UHFFFAOYSA-N 1 2 331.504 3.935 20 0 EHADLO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000173412544 1033311205 /nfs/dbraw/zinc/31/12/05/1033311205.db2.gz SZINVKJECQGJOB-UHFFFAOYSA-N 1 2 331.504 3.935 20 0 EHADLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000607834376 1033324978 /nfs/dbraw/zinc/32/49/78/1033324978.db2.gz WZTXDUWTQOSIPC-AWEZNQCLSA-N 1 2 339.826 3.946 20 0 EHADLO Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)nn1 ZINC000898130161 1033341364 /nfs/dbraw/zinc/34/13/64/1033341364.db2.gz CIJRHCWMBWTTPO-UHFFFAOYSA-N 1 2 329.831 3.533 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@H]3CSCCS3)c21 ZINC000842030651 1033344178 /nfs/dbraw/zinc/34/41/78/1033344178.db2.gz KJXWMNPZJSFZLZ-SNVBAGLBSA-N 1 2 334.445 3.511 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)c2n[nH]cc21 ZINC001142535197 1033346681 /nfs/dbraw/zinc/34/66/81/1033346681.db2.gz NWJHRQIKUXBENL-GASCZTMLSA-N 1 2 349.438 3.876 20 0 EHADLO CC(C)Oc1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000046655380 1033349128 /nfs/dbraw/zinc/34/91/28/1033349128.db2.gz LIRIEDOLAJUFNO-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO CCCc1nc(C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)no1 ZINC000054990803 1033388806 /nfs/dbraw/zinc/38/88/06/1033388806.db2.gz ZCLHUFIJTVKTJO-AWEZNQCLSA-N 1 2 329.444 3.831 20 0 EHADLO CCCc1nc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)no1 ZINC000054990803 1033388819 /nfs/dbraw/zinc/38/88/19/1033388819.db2.gz ZCLHUFIJTVKTJO-AWEZNQCLSA-N 1 2 329.444 3.831 20 0 EHADLO CC1(C)CCC[C@H]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000529097418 1033392034 /nfs/dbraw/zinc/39/20/34/1033392034.db2.gz AZCYTZHETYDWIW-INIZCTEOSA-N 1 2 341.459 3.664 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)nc2C2CC2)n1 ZINC000898313177 1033448893 /nfs/dbraw/zinc/44/88/93/1033448893.db2.gz UXAXLEUMHYGJBD-UHFFFAOYSA-N 1 2 344.484 3.818 20 0 EHADLO Cc1cc(N)nc(SCc2cc(F)ccc2Br)[nH+]1 ZINC000105357664 1033462955 /nfs/dbraw/zinc/46/29/55/1033462955.db2.gz KAVUWQOGZHEFRT-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(Cc2cccc(Cl)c2)CC1 ZINC000449941203 1033463457 /nfs/dbraw/zinc/46/34/57/1033463457.db2.gz VAFGKYQEDIFNCX-UHFFFAOYSA-N 1 2 343.858 3.676 20 0 EHADLO C[C@H](Cc1cccs1)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616452 1033465965 /nfs/dbraw/zinc/46/59/65/1033465965.db2.gz UQOSQHRQKBXAEE-RHSMWYFYSA-N 1 2 346.496 3.617 20 0 EHADLO COc1cccc([C@@H]([NH2+]Cc2cn[nH]c2)c2ccccc2Cl)c1 ZINC000608058800 1033474610 /nfs/dbraw/zinc/47/46/10/1033474610.db2.gz GMORQUUAOHWNBD-GOSISDBHSA-N 1 2 327.815 3.951 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001168287678 1033497085 /nfs/dbraw/zinc/49/70/85/1033497085.db2.gz LOXWVPIOVXXFFA-LJQANCHMSA-N 1 2 345.446 3.542 20 0 EHADLO COc1ccc2c(c1)C[C@H]([N@H+]1CCn3cc(-c4ccccc4)nc3C1)C2 ZINC001168287678 1033497092 /nfs/dbraw/zinc/49/70/92/1033497092.db2.gz LOXWVPIOVXXFFA-LJQANCHMSA-N 1 2 345.446 3.542 20 0 EHADLO CCc1ccc(CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608208572 1033544185 /nfs/dbraw/zinc/54/41/85/1033544185.db2.gz VRHSLMCDUPHCEH-FQEVSTJZSA-N 1 2 347.462 3.625 20 0 EHADLO CC(C)(C)c1cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)no1 ZINC000685561706 1033565520 /nfs/dbraw/zinc/56/55/20/1033565520.db2.gz BWFBHCHLMCLSRI-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO Cc1nc(C)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000685568876 1033577544 /nfs/dbraw/zinc/57/75/44/1033577544.db2.gz YHVRALGBYAGNNR-UHFFFAOYSA-N 1 2 333.407 3.670 20 0 EHADLO Cc1nc(C)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)o1 ZINC000685568876 1033577556 /nfs/dbraw/zinc/57/75/56/1033577556.db2.gz YHVRALGBYAGNNR-UHFFFAOYSA-N 1 2 333.407 3.670 20 0 EHADLO CC(C)CC1(C)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000460367660 1033581043 /nfs/dbraw/zinc/58/10/43/1033581043.db2.gz CBBRDSYKWLIRMG-UHFFFAOYSA-N 1 2 328.460 3.692 20 0 EHADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000685609136 1033613039 /nfs/dbraw/zinc/61/30/39/1033613039.db2.gz AOIMDECKWWMNMH-WWGRRREGSA-N 1 2 338.854 3.778 20 0 EHADLO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1nc(Cc2ccccc2)no1 ZINC000608372946 1033645689 /nfs/dbraw/zinc/64/56/89/1033645689.db2.gz ONCGSKPAQWULNN-AWEZNQCLSA-N 1 2 332.407 3.993 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019237 1033712217 /nfs/dbraw/zinc/71/22/17/1033712217.db2.gz ZQNACUJZDZZNGF-KRWDZBQOSA-N 1 2 348.450 3.834 20 0 EHADLO O=C(Nc1cc2c(cc1Cl)CCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529285749 1033736513 /nfs/dbraw/zinc/73/65/13/1033736513.db2.gz AFUYRJTVXZOTAU-UHFFFAOYSA-N 1 2 344.846 3.963 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc3c(cc2Cl)CCC3)C1 ZINC000529289454 1033776232 /nfs/dbraw/zinc/77/62/32/1033776232.db2.gz QLKIZHWBCBPPLK-AWEZNQCLSA-N 1 2 344.846 3.584 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000174198075 1033800044 /nfs/dbraw/zinc/80/00/44/1033800044.db2.gz HPTOATOZNNFYJD-MDWZMJQESA-N 1 2 349.478 3.551 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151194 1033814670 /nfs/dbraw/zinc/81/46/70/1033814670.db2.gz CKHPXLBSKUYKLF-BEFAXECRSA-N 1 2 338.451 3.684 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2ccccc2)C2CC2)o1 ZINC000030151194 1033814692 /nfs/dbraw/zinc/81/46/92/1033814692.db2.gz CKHPXLBSKUYKLF-BEFAXECRSA-N 1 2 338.451 3.684 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCCCNc2cccc[nH+]2)c(C)s1 ZINC000046600404 1033815077 /nfs/dbraw/zinc/81/50/77/1033815077.db2.gz PCAUNOMQMYQDJM-CYBMUJFWSA-N 1 2 332.473 3.622 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000608716567 1033852373 /nfs/dbraw/zinc/85/23/73/1033852373.db2.gz WDGDQZJSRVPVJO-ZWKOTPCHSA-N 1 2 338.455 3.840 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000608756663 1033888312 /nfs/dbraw/zinc/88/83/12/1033888312.db2.gz GDBOKPDSJIUBNM-RHSMWYFYSA-N 1 2 345.443 3.846 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000608756663 1033888327 /nfs/dbraw/zinc/88/83/27/1033888327.db2.gz GDBOKPDSJIUBNM-RHSMWYFYSA-N 1 2 345.443 3.846 20 0 EHADLO CCN(CC)C(=O)CN(C)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450213799 1033909498 /nfs/dbraw/zinc/90/94/98/1033909498.db2.gz IFKGXCOCSYDMTG-UHFFFAOYSA-N 1 2 339.361 3.558 20 0 EHADLO COCCOCCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450226700 1033910292 /nfs/dbraw/zinc/91/02/92/1033910292.db2.gz GKDMGHFCIQDVJO-UHFFFAOYSA-N 1 2 328.334 3.719 20 0 EHADLO COC(=O)c1cnc(C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)cn1 ZINC000599385621 1033913597 /nfs/dbraw/zinc/91/35/97/1033913597.db2.gz KLWBFLUENRENMJ-KRWDZBQOSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1cnc(C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)cn1 ZINC000599385621 1033913603 /nfs/dbraw/zinc/91/36/03/1033913603.db2.gz KLWBFLUENRENMJ-KRWDZBQOSA-N 1 2 345.830 3.644 20 0 EHADLO Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785286 1033921437 /nfs/dbraw/zinc/92/14/37/1033921437.db2.gz JJCPBNGBRSACTK-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443253 1033930031 /nfs/dbraw/zinc/93/00/31/1033930031.db2.gz KVMWCIWDCXXIPB-QGZVFWFLSA-N 1 2 334.366 3.730 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443253 1033930040 /nfs/dbraw/zinc/93/00/40/1033930040.db2.gz KVMWCIWDCXXIPB-QGZVFWFLSA-N 1 2 334.366 3.730 20 0 EHADLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000450222382 1033931379 /nfs/dbraw/zinc/93/13/79/1033931379.db2.gz CCAQKXMMPXHLTE-UHFFFAOYSA-N 1 2 338.451 3.610 20 0 EHADLO O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2[nH+]ccn2c1 ZINC000603785899 1033934916 /nfs/dbraw/zinc/93/49/16/1033934916.db2.gz NIFXBVVBHPUTKW-UHFFFAOYSA-N 1 2 332.363 3.561 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c2c(nc3ccccc31)CCC2 ZINC000603786095 1033935148 /nfs/dbraw/zinc/93/51/48/1033935148.db2.gz OULHYTLZUDNPKO-UHFFFAOYSA-N 1 2 328.375 3.624 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(Br)c(F)c1 ZINC000658103519 1033950962 /nfs/dbraw/zinc/95/09/62/1033950962.db2.gz VWUYOIDCBXBMHV-VYUIOLGVSA-N 1 2 339.212 3.536 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000516849774 1033971425 /nfs/dbraw/zinc/97/14/25/1033971425.db2.gz MPHXXVRGZXSUFV-GOEBONIOSA-N 1 2 346.862 3.599 20 0 EHADLO COC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1cccc(Cl)c1 ZINC000658119360 1033976904 /nfs/dbraw/zinc/97/69/04/1033976904.db2.gz NUKRSYZBDLCNPT-INIZCTEOSA-N 1 2 335.831 3.835 20 0 EHADLO C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)c1nnc2n1CCC2 ZINC000450245488 1033984518 /nfs/dbraw/zinc/98/45/18/1033984518.db2.gz RLKVITPPXIHEKF-VIFPVBQESA-N 1 2 331.782 3.738 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000450246715 1033986415 /nfs/dbraw/zinc/98/64/15/1033986415.db2.gz LEYPYVHCKMYKKA-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000450246715 1033986427 /nfs/dbraw/zinc/98/64/27/1033986427.db2.gz LEYPYVHCKMYKKA-UHFFFAOYSA-N 1 2 337.872 3.766 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C1 ZINC000450248020 1033988858 /nfs/dbraw/zinc/98/88/58/1033988858.db2.gz VLQHFZAOYCPCIC-QGZVFWFLSA-N 1 2 347.462 3.867 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039228 1033989677 /nfs/dbraw/zinc/98/96/77/1033989677.db2.gz ZMUUNASWXSXUCW-HUUCEWRRSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cn2nc(-c3ccccc3F)ccc2=O)C1 ZINC000171039228 1033989689 /nfs/dbraw/zinc/98/96/89/1033989689.db2.gz ZMUUNASWXSXUCW-HUUCEWRRSA-N 1 2 329.419 3.517 20 0 EHADLO CC(C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Nc1ccccc1 ZINC000117970190 1033994627 /nfs/dbraw/zinc/99/46/27/1033994627.db2.gz HAHWSYLQEJMZQU-HXUWFJFHSA-N 1 2 348.450 3.739 20 0 EHADLO C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881272 1034007306 /nfs/dbraw/zinc/00/73/06/1034007306.db2.gz BDIODSZNAVXBAX-JTQLQIEISA-N 1 2 333.750 3.533 20 0 EHADLO COCc1nnc(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000658156263 1034011184 /nfs/dbraw/zinc/01/11/84/1034011184.db2.gz HSTPUCHMYJVNTN-JKSUJKDBSA-N 1 2 348.878 3.811 20 0 EHADLO C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589817 1034029488 /nfs/dbraw/zinc/02/94/88/1034029488.db2.gz OCOHGFQKQNXIJC-DOMZBBRYSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589817 1034029501 /nfs/dbraw/zinc/02/95/01/1034029501.db2.gz OCOHGFQKQNXIJC-DOMZBBRYSA-N 1 2 336.501 3.820 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)nn1 ZINC000658175447 1034041666 /nfs/dbraw/zinc/04/16/66/1034041666.db2.gz AZRYYNSZLDYSHD-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000596051994 1034054624 /nfs/dbraw/zinc/05/46/24/1034054624.db2.gz WPWUAJICZRUVAF-CQSZACIVSA-N 1 2 331.378 3.729 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026328 1034060698 /nfs/dbraw/zinc/06/06/98/1034060698.db2.gz XBABLXVQQKZDKJ-MSOLQXFVSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026328 1034060712 /nfs/dbraw/zinc/06/07/12/1034060712.db2.gz XBABLXVQQKZDKJ-MSOLQXFVSA-N 1 2 348.437 3.797 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000596080630 1034070144 /nfs/dbraw/zinc/07/01/44/1034070144.db2.gz KLADLUPESYUMJQ-AWEZNQCLSA-N 1 2 328.412 3.757 20 0 EHADLO CN(CC1CCCC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074870267 1034071335 /nfs/dbraw/zinc/07/13/35/1034071335.db2.gz WWXTWMVXDLSQPF-SFHVURJKSA-N 1 2 340.471 3.536 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2nccc(OC)c2F)C2CC2)c(F)c1 ZINC000658225075 1034079163 /nfs/dbraw/zinc/07/91/63/1034079163.db2.gz ROZGZVUFWKXPTO-GOSISDBHSA-N 1 2 334.366 3.618 20 0 EHADLO CCCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1F ZINC000119219602 1034114382 /nfs/dbraw/zinc/11/43/82/1034114382.db2.gz VNRCXTDLAMPZHT-UHFFFAOYSA-N 1 2 329.481 3.641 20 0 EHADLO CCCC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1F ZINC000119219602 1034114390 /nfs/dbraw/zinc/11/43/90/1034114390.db2.gz VNRCXTDLAMPZHT-UHFFFAOYSA-N 1 2 329.481 3.641 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)n(C(C)(C)C)n1 ZINC000119244099 1034122041 /nfs/dbraw/zinc/12/20/41/1034122041.db2.gz XGPWJYPTQRQIGT-AWEZNQCLSA-N 1 2 344.459 3.704 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)n(C(C)(C)C)n1 ZINC000119244099 1034122044 /nfs/dbraw/zinc/12/20/44/1034122044.db2.gz XGPWJYPTQRQIGT-AWEZNQCLSA-N 1 2 344.459 3.704 20 0 EHADLO Fc1cc2[nH+]ccc(N[C@@H]3CCCOC3)c2cc1Br ZINC000450318502 1034124018 /nfs/dbraw/zinc/12/40/18/1034124018.db2.gz NXPDOEBRSSAHJH-SECBINFHSA-N 1 2 325.181 3.727 20 0 EHADLO CCS[C@@H](C)c1noc(COc2ccc3c(c2)[nH+]c(C)n3C)n1 ZINC000596286125 1034144372 /nfs/dbraw/zinc/14/43/72/1034144372.db2.gz SOQFNFVWPKWTHO-JTQLQIEISA-N 1 2 332.429 3.658 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000120800592 1034167434 /nfs/dbraw/zinc/16/74/34/1034167434.db2.gz YXFHJCNXIVREBA-INIZCTEOSA-N 1 2 349.434 3.775 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3s2)c(-c2ccncc2)n1 ZINC000120801963 1034169476 /nfs/dbraw/zinc/16/94/76/1034169476.db2.gz GWGLDFSNCLPREY-UHFFFAOYSA-N 1 2 349.463 3.724 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3s2)c(-c2ccncc2)n1 ZINC000120801963 1034169484 /nfs/dbraw/zinc/16/94/84/1034169484.db2.gz GWGLDFSNCLPREY-UHFFFAOYSA-N 1 2 349.463 3.724 20 0 EHADLO CCC(CC)[C@@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000534138254 1034183514 /nfs/dbraw/zinc/18/35/14/1034183514.db2.gz TZQDNMOOQZIQAU-OAHLLOKOSA-N 1 2 329.444 3.973 20 0 EHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658336696 1034212013 /nfs/dbraw/zinc/21/20/13/1034212013.db2.gz HMVLHMUYSDQPGQ-AWEZNQCLSA-N 1 2 326.431 3.855 20 0 EHADLO CN(C[C@H]1CCOC1)c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450368617 1034218546 /nfs/dbraw/zinc/21/85/46/1034218546.db2.gz INKLDAVHBCDGCX-SNVBAGLBSA-N 1 2 339.208 3.609 20 0 EHADLO COc1ccccc1OCC[N@H+](C)Cc1cncc(Cl)c1Cl ZINC001204881340 1034222620 /nfs/dbraw/zinc/22/26/20/1034222620.db2.gz PEFWEDWIFAHTTC-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO COc1ccccc1OCC[N@@H+](C)Cc1cncc(Cl)c1Cl ZINC001204881340 1034222633 /nfs/dbraw/zinc/22/26/33/1034222633.db2.gz PEFWEDWIFAHTTC-UHFFFAOYSA-N 1 2 341.238 3.908 20 0 EHADLO Cc1ccccc1OCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060130017 1034241077 /nfs/dbraw/zinc/24/10/77/1034241077.db2.gz VRZFUOVWIQFDNI-UHFFFAOYSA-N 1 2 349.434 3.656 20 0 EHADLO C[C@@H](c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416901 1034303340 /nfs/dbraw/zinc/30/33/40/1034303340.db2.gz BEFBLYIWCNQDIM-YRJUUEJZSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@@H](c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416901 1034303355 /nfs/dbraw/zinc/30/33/55/1034303355.db2.gz BEFBLYIWCNQDIM-YRJUUEJZSA-N 1 2 333.419 3.694 20 0 EHADLO CC[N@H+](Cc1ccc(C(C)=O)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450417716 1034303939 /nfs/dbraw/zinc/30/39/39/1034303939.db2.gz JNTHDXHQBUAOEF-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO CC[N@@H+](Cc1ccc(C(C)=O)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450417716 1034303955 /nfs/dbraw/zinc/30/39/55/1034303955.db2.gz JNTHDXHQBUAOEF-FQEVSTJZSA-N 1 2 336.435 3.517 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(C)s1 ZINC000596594326 1034310274 /nfs/dbraw/zinc/31/02/74/1034310274.db2.gz SXUVVCFGSQIEPD-MRXNPFEDSA-N 1 2 330.453 3.821 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c(C)s1 ZINC000596594326 1034310288 /nfs/dbraw/zinc/31/02/88/1034310288.db2.gz SXUVVCFGSQIEPD-MRXNPFEDSA-N 1 2 330.453 3.821 20 0 EHADLO CC(C)(C)c1ccc(CCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000604267697 1034310127 /nfs/dbraw/zinc/31/01/27/1034310127.db2.gz PWUIMTZSLNVYIV-UHFFFAOYSA-N 1 2 339.483 3.930 20 0 EHADLO F[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529623705 1034311903 /nfs/dbraw/zinc/31/19/03/1034311903.db2.gz SCEPJQKLMXPWBX-SNVBAGLBSA-N 1 2 344.253 3.835 20 0 EHADLO F[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529623705 1034311920 /nfs/dbraw/zinc/31/19/20/1034311920.db2.gz SCEPJQKLMXPWBX-SNVBAGLBSA-N 1 2 344.253 3.835 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C ZINC000596594437 1034312586 /nfs/dbraw/zinc/31/25/86/1034312586.db2.gz VDFSFHNALGKGRC-SUMWQHHRSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C ZINC000596594437 1034312600 /nfs/dbraw/zinc/31/26/00/1034312600.db2.gz VDFSFHNALGKGRC-SUMWQHHRSA-N 1 2 328.412 3.914 20 0 EHADLO C[C@H](CCC1CCCCC1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000604380644 1034354809 /nfs/dbraw/zinc/35/48/09/1034354809.db2.gz SAKKPWZKHCNRAY-SJLPKXTDSA-N 1 2 346.519 3.846 20 0 EHADLO C[C@H](CCC1CCCCC1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000604380644 1034354825 /nfs/dbraw/zinc/35/48/25/1034354825.db2.gz SAKKPWZKHCNRAY-SJLPKXTDSA-N 1 2 346.519 3.846 20 0 EHADLO Cc1cc2c(ncnc2NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000761194935 1034379753 /nfs/dbraw/zinc/37/97/53/1034379753.db2.gz DBWLAMKWWXNAMR-UHFFFAOYSA-N 1 2 335.436 3.857 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)C3CC3)n2)C1 ZINC000534297547 1034385009 /nfs/dbraw/zinc/38/50/09/1034385009.db2.gz DBVWVUFRZWCRTO-GFCCVEGCSA-N 1 2 336.505 3.685 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)C3CC3)n2)C1 ZINC000534297547 1034385027 /nfs/dbraw/zinc/38/50/27/1034385027.db2.gz DBVWVUFRZWCRTO-GFCCVEGCSA-N 1 2 336.505 3.685 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cn1 ZINC000529668146 1034392997 /nfs/dbraw/zinc/39/29/97/1034392997.db2.gz DJGXJGSHXLFDBX-UHFFFAOYSA-N 1 2 349.482 3.578 20 0 EHADLO CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C)[nH+]cc2C)C12CCCCC2 ZINC000534324131 1034397969 /nfs/dbraw/zinc/39/79/69/1034397969.db2.gz RHXZKHQXPUCXDN-MSOLQXFVSA-N 1 2 345.487 3.712 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450504505 1034436973 /nfs/dbraw/zinc/43/69/73/1034436973.db2.gz VBLVSUDLXQFQSR-OAQYLSRUSA-N 1 2 339.435 3.810 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450504505 1034436979 /nfs/dbraw/zinc/43/69/79/1034436979.db2.gz VBLVSUDLXQFQSR-OAQYLSRUSA-N 1 2 339.435 3.810 20 0 EHADLO CC(C)(C)[C@@H](O)C[C@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450511256 1034446888 /nfs/dbraw/zinc/44/68/88/1034446888.db2.gz AVDYHALGBNBTOZ-HWPZZCPQSA-N 1 2 340.826 3.597 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(SC(F)(F)F)cc1 ZINC000060408151 1034486211 /nfs/dbraw/zinc/48/62/11/1034486211.db2.gz FMRWTQJRQNXTLX-UHFFFAOYSA-N 1 2 343.374 3.705 20 0 EHADLO O=C(CCCCCc1cccs1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596989794 1034495206 /nfs/dbraw/zinc/49/52/06/1034495206.db2.gz DZRUDZLIPRUPFW-INIZCTEOSA-N 1 2 331.485 3.911 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023666777 1034501727 /nfs/dbraw/zinc/50/17/27/1034501727.db2.gz DKBVUMSUQMLOIF-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023666777 1034501731 /nfs/dbraw/zinc/50/17/31/1034501731.db2.gz DKBVUMSUQMLOIF-LBPRGKRZSA-N 1 2 334.366 3.605 20 0 EHADLO CCc1cccc(CC)c1NC(=S)NCCCNc1cccc[nH+]1 ZINC000060433721 1034518473 /nfs/dbraw/zinc/51/84/73/1034518473.db2.gz ZEKFXIVTQUAGFL-UHFFFAOYSA-N 1 2 342.512 3.995 20 0 EHADLO CC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCCC1 ZINC000604794124 1034519563 /nfs/dbraw/zinc/51/95/63/1034519563.db2.gz TTZFFRQXTFXOHY-UHFFFAOYSA-N 1 2 336.505 3.973 20 0 EHADLO Cc1cc(N(C)Cc2cc[nH]n2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604883125 1034544604 /nfs/dbraw/zinc/54/46/04/1034544604.db2.gz VNSQFSAXBLXRFZ-UHFFFAOYSA-N 1 2 336.317 3.801 20 0 EHADLO CCc1cc(CCCN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)on1 ZINC000450606971 1034559587 /nfs/dbraw/zinc/55/95/87/1034559587.db2.gz AUFDSWCRZLHCAR-INIZCTEOSA-N 1 2 345.462 3.688 20 0 EHADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000604977709 1034567771 /nfs/dbraw/zinc/56/77/71/1034567771.db2.gz PNZKTPBRPKEWGE-AWEZNQCLSA-N 1 2 347.256 3.782 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2cccnc2)C(C)C)c1Cl ZINC000450630206 1034578442 /nfs/dbraw/zinc/57/84/42/1034578442.db2.gz UEDFKDVQGUMOLI-UHFFFAOYSA-N 1 2 332.831 3.932 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2cccnc2)C(C)C)c1Cl ZINC000450630206 1034578448 /nfs/dbraw/zinc/57/84/48/1034578448.db2.gz UEDFKDVQGUMOLI-UHFFFAOYSA-N 1 2 332.831 3.932 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450618234 1034602621 /nfs/dbraw/zinc/60/26/21/1034602621.db2.gz HRNKAIGICIFYOL-UHFFFAOYSA-N 1 2 341.377 3.865 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccn(CC(F)(F)F)n2)c1 ZINC000450618234 1034602635 /nfs/dbraw/zinc/60/26/35/1034602635.db2.gz HRNKAIGICIFYOL-UHFFFAOYSA-N 1 2 341.377 3.865 20 0 EHADLO CC[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000450639695 1034631632 /nfs/dbraw/zinc/63/16/32/1034631632.db2.gz FASMJONHSCLAEK-QWHCGFSZSA-N 1 2 348.434 3.932 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450666628 1034665663 /nfs/dbraw/zinc/66/56/63/1034665663.db2.gz JEFHSAPQPHHCGY-NSHDSACASA-N 1 2 333.457 3.592 20 0 EHADLO CCc1noc(C)c1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534552912 1034667824 /nfs/dbraw/zinc/66/78/24/1034667824.db2.gz PRVUFTQLWALSIO-UHFFFAOYSA-N 1 2 348.406 3.713 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)c1csnn1 ZINC000450667783 1034668206 /nfs/dbraw/zinc/66/82/06/1034668206.db2.gz XFQYYYXTAYAZCB-ZIAGYGMSSA-N 1 2 340.452 3.924 20 0 EHADLO FC(F)(F)Cn1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1 ZINC000450684074 1034681691 /nfs/dbraw/zinc/68/16/91/1034681691.db2.gz TXIOAGPQMVYYHU-UHFFFAOYSA-N 1 2 329.753 3.878 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000450686978 1034688730 /nfs/dbraw/zinc/68/87/30/1034688730.db2.gz YUORHUSYXTVVKC-SECBINFHSA-N 1 2 344.358 3.799 20 0 EHADLO O=C(/C=C/c1ccc(Cl)s1)NCCCCNc1cccc[nH+]1 ZINC000171928776 1034711962 /nfs/dbraw/zinc/71/19/62/1034711962.db2.gz VFKWAPCLAKYLAM-VQHVLOKHSA-N 1 2 335.860 3.818 20 0 EHADLO Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000413662436 1034748193 /nfs/dbraw/zinc/74/81/93/1034748193.db2.gz ZMXUFDYEBNIEFL-UHFFFAOYSA-N 1 2 348.450 3.891 20 0 EHADLO CC(C)(c1ccccc1)C1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000456819652 1034751600 /nfs/dbraw/zinc/75/16/00/1034751600.db2.gz WMPDIFHBUDGHRO-UHFFFAOYSA-N 1 2 346.434 3.508 20 0 EHADLO CC[C@H](C)n1ncc(C(=O)NCc2c[nH+]c(C)cc2C)c1C1CC1 ZINC000456843320 1034761494 /nfs/dbraw/zinc/76/14/94/1034761494.db2.gz QCWFQSJYEBKANR-AWEZNQCLSA-N 1 2 326.444 3.673 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000569832715 1034778972 /nfs/dbraw/zinc/77/89/72/1034778972.db2.gz IQZCJJVQFJBIOJ-UHFFFAOYSA-N 1 2 344.377 3.607 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)c2ccc(Br)cc2)c[nH+]1 ZINC000456838133 1034781964 /nfs/dbraw/zinc/78/19/64/1034781964.db2.gz LICKLQUGFFWLAM-ZDUSSCGKSA-N 1 2 347.256 3.881 20 0 EHADLO COc1cc(C2(C(=O)NCc3c[nH+]c(C)cc3C)CCC2)ccc1C ZINC000456859020 1034790849 /nfs/dbraw/zinc/79/08/49/1034790849.db2.gz MRPVHOQJEONBJR-UHFFFAOYSA-N 1 2 338.451 3.754 20 0 EHADLO CCc1ccsc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000605646723 1034810056 /nfs/dbraw/zinc/81/00/56/1034810056.db2.gz SHAFYYXLRNIQDM-HNNXBMFYSA-N 1 2 328.481 3.657 20 0 EHADLO CCc1ccsc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000605646723 1034810075 /nfs/dbraw/zinc/81/00/75/1034810075.db2.gz SHAFYYXLRNIQDM-HNNXBMFYSA-N 1 2 328.481 3.657 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000612349308 1034823349 /nfs/dbraw/zinc/82/33/49/1034823349.db2.gz CLLGVCQCDXMHTB-XWPNQZOQSA-N 1 2 337.467 3.713 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCc3ncc(Br)cc32)c1 ZINC000926659322 1034830891 /nfs/dbraw/zinc/83/08/91/1034830891.db2.gz HEHCGVXCYFWMMU-OAHLLOKOSA-N 1 2 348.244 3.875 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000450828926 1034833137 /nfs/dbraw/zinc/83/31/37/1034833137.db2.gz LGTQEYDSKQTGEN-OAHLLOKOSA-N 1 2 327.819 3.748 20 0 EHADLO CC(C)c1nc(N2CC[S@](=O)C(C)(C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000450834907 1034842402 /nfs/dbraw/zinc/84/24/02/1034842402.db2.gz ZSKOBISYARBIMN-QHCPKHFHSA-N 1 2 337.533 3.635 20 0 EHADLO CCC1(CNc2cc[nH+]c3cc(F)c(Br)cc23)COC1 ZINC000450843633 1034854946 /nfs/dbraw/zinc/85/49/46/1034854946.db2.gz IOXXYAGZENEWMM-UHFFFAOYSA-N 1 2 339.208 3.975 20 0 EHADLO COc1cncc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000343821478 1034878292 /nfs/dbraw/zinc/87/82/92/1034878292.db2.gz RLPVAURANMWEPX-FQEVSTJZSA-N 1 2 347.418 3.560 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1Cl ZINC000450881089 1034909762 /nfs/dbraw/zinc/90/97/62/1034909762.db2.gz YHJVOQFUVBLALA-UHFFFAOYSA-N 1 2 349.862 3.779 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1Cl ZINC000450881089 1034909772 /nfs/dbraw/zinc/90/97/72/1034909772.db2.gz YHJVOQFUVBLALA-UHFFFAOYSA-N 1 2 349.862 3.779 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000548929977 1034941079 /nfs/dbraw/zinc/94/10/79/1034941079.db2.gz BYSJOZBUPRXOFE-UHFFFAOYSA-N 1 2 340.423 3.796 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000548929977 1034941083 /nfs/dbraw/zinc/94/10/83/1034941083.db2.gz BYSJOZBUPRXOFE-UHFFFAOYSA-N 1 2 340.423 3.796 20 0 EHADLO CC[C@@H]1C[C@]1([NH2+]Cc1nc(C(=O)OC)cs1)c1cccc(C)c1 ZINC000450924927 1034950886 /nfs/dbraw/zinc/95/08/86/1034950886.db2.gz WEEACYDXDKSSCO-FZKQIMNGSA-N 1 2 330.453 3.653 20 0 EHADLO CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343825695 1035022276 /nfs/dbraw/zinc/02/22/76/1035022276.db2.gz KDAAUFQRRXAASU-OAHLLOKOSA-N 1 2 342.418 3.509 20 0 EHADLO Cc1cnn(CC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451015792 1035032682 /nfs/dbraw/zinc/03/26/82/1035032682.db2.gz KRKRDGCOIPFUBI-MRXNPFEDSA-N 1 2 329.835 3.558 20 0 EHADLO Cc1cnn(CC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451015792 1035032689 /nfs/dbraw/zinc/03/26/89/1035032689.db2.gz KRKRDGCOIPFUBI-MRXNPFEDSA-N 1 2 329.835 3.558 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)c(C)c1OC ZINC000451027310 1035045603 /nfs/dbraw/zinc/04/56/03/1035045603.db2.gz GXZMXHYOKPVHLX-LLVKDONJSA-N 1 2 333.457 3.592 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc3ncccc3c1)C2 ZINC000376021190 1035134204 /nfs/dbraw/zinc/13/42/04/1035134204.db2.gz ZRNJKTRWBSFWDW-INIZCTEOSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc3ncccc3c1)CC2 ZINC000376021190 1035134208 /nfs/dbraw/zinc/13/42/08/1035134208.db2.gz ZRNJKTRWBSFWDW-INIZCTEOSA-N 1 2 348.450 3.503 20 0 EHADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(Cl)nc3)n2)c1 ZINC000177587484 1035250477 /nfs/dbraw/zinc/25/04/77/1035250477.db2.gz ICVZUNNDFIRLEV-LLVKDONJSA-N 1 2 344.802 3.644 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c1 ZINC000685824589 1035334177 /nfs/dbraw/zinc/33/41/77/1035334177.db2.gz ZHYGGGPLQPVOPH-UHFFFAOYSA-N 1 2 345.271 3.697 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ncc(C(C)(C)C)s1 ZINC000448340415 1035385132 /nfs/dbraw/zinc/38/51/32/1035385132.db2.gz WRGGMLVQSPXKAY-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ncc(C(C)(C)C)s1 ZINC000448340415 1035385137 /nfs/dbraw/zinc/38/51/37/1035385137.db2.gz WRGGMLVQSPXKAY-UHFFFAOYSA-N 1 2 326.506 3.994 20 0 EHADLO Oc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc(C(F)(F)F)c1 ZINC000685843210 1035395217 /nfs/dbraw/zinc/39/52/17/1035395217.db2.gz QLFYFBPQKZQERS-GFCCVEGCSA-N 1 2 325.277 3.615 20 0 EHADLO Oc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc(C(F)(F)F)c1 ZINC000685843210 1035395220 /nfs/dbraw/zinc/39/52/20/1035395220.db2.gz QLFYFBPQKZQERS-GFCCVEGCSA-N 1 2 325.277 3.615 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(Cl)c1OC ZINC000685849603 1035412397 /nfs/dbraw/zinc/41/23/97/1035412397.db2.gz QMVILYCTPBJVQB-PBHICJAKSA-N 1 2 339.863 3.747 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(Cl)c1OC ZINC000685849603 1035412401 /nfs/dbraw/zinc/41/24/01/1035412401.db2.gz QMVILYCTPBJVQB-PBHICJAKSA-N 1 2 339.863 3.747 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685849588 1035412598 /nfs/dbraw/zinc/41/25/98/1035412598.db2.gz PLTNGIAZGPQRNI-IEBWSBKVSA-N 1 2 327.472 3.836 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685849588 1035412600 /nfs/dbraw/zinc/41/26/00/1035412600.db2.gz PLTNGIAZGPQRNI-IEBWSBKVSA-N 1 2 327.472 3.836 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137716 1035416779 /nfs/dbraw/zinc/41/67/79/1035416779.db2.gz DADHIVIODLRWHV-BJLQDIEVSA-N 1 2 348.437 3.963 20 0 EHADLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000613137716 1035416781 /nfs/dbraw/zinc/41/67/81/1035416781.db2.gz DADHIVIODLRWHV-BJLQDIEVSA-N 1 2 348.437 3.963 20 0 EHADLO C[C@H]([NH2+]Cc1csc(Br)c1)c1cc2n(n1)CCC2 ZINC000414064209 1035428619 /nfs/dbraw/zinc/42/86/19/1035428619.db2.gz NHFIBPXNCFTYKX-VIFPVBQESA-N 1 2 326.263 3.504 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(OC(C)C)c2)s1 ZINC000414064675 1035429539 /nfs/dbraw/zinc/42/95/39/1035429539.db2.gz FYVBILLOYXEQNS-LBPRGKRZSA-N 1 2 334.441 3.568 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414078802 1035454414 /nfs/dbraw/zinc/45/44/14/1035454414.db2.gz SEPSCIYKTPJWMD-GFCCVEGCSA-N 1 2 334.441 3.569 20 0 EHADLO O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccccc1-n1cc[nH+]c1 ZINC000613247648 1035471759 /nfs/dbraw/zinc/47/17/59/1035471759.db2.gz ADZPIIOIMTZILF-SJLPKXTDSA-N 1 2 345.393 3.704 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161745145 1035476431 /nfs/dbraw/zinc/47/64/31/1035476431.db2.gz RNEFKWJZNBUCPF-LPHOPBHVSA-N 1 2 341.430 3.632 20 0 EHADLO COc1ccc(-n2ccnc2SCCCn2cc[nH+]c2)c(C)c1 ZINC000185650123 1035506666 /nfs/dbraw/zinc/50/66/66/1035506666.db2.gz PEQDGNQADGAVNY-UHFFFAOYSA-N 1 2 328.441 3.568 20 0 EHADLO O=C(CCCC1CCCC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000463462054 1035534399 /nfs/dbraw/zinc/53/43/99/1035534399.db2.gz UDXFKZYSMQWNKK-UHFFFAOYSA-N 1 2 344.499 3.570 20 0 EHADLO Fc1cc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)cc(F)c1F ZINC000571528630 1035545607 /nfs/dbraw/zinc/54/56/07/1035545607.db2.gz ZSVOZCWAPZLHIF-INIZCTEOSA-N 1 2 338.377 3.676 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(C(F)(F)F)s2)n1-c1ccccc1 ZINC000185876649 1035555779 /nfs/dbraw/zinc/55/57/79/1035555779.db2.gz VRLBIJJNTSMTLQ-UHFFFAOYSA-N 1 2 339.346 3.663 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173674996 1035569773 /nfs/dbraw/zinc/56/97/73/1035569773.db2.gz GPLGCNONYBOKCY-AEFFLSMTSA-N 1 2 344.503 3.792 20 0 EHADLO CCn1nccc1CNc1[nH+]c2ccccc2n1Cc1ccccc1C ZINC000463511746 1035571787 /nfs/dbraw/zinc/57/17/87/1035571787.db2.gz HKAOJWGNSVQFID-UHFFFAOYSA-N 1 2 345.450 3.643 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)C2 ZINC000456986861 1035603241 /nfs/dbraw/zinc/60/32/41/1035603241.db2.gz PIWWKYISSONMJA-RVPHFEHCSA-N 1 2 341.499 3.533 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)CC2 ZINC000456986861 1035603253 /nfs/dbraw/zinc/60/32/53/1035603253.db2.gz PIWWKYISSONMJA-RVPHFEHCSA-N 1 2 341.499 3.533 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccn(C)n1 ZINC000414123148 1035633719 /nfs/dbraw/zinc/63/37/19/1035633719.db2.gz BMSGGTOHEFKASL-VHSXEESVSA-N 1 2 326.213 3.734 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3nc(CC(C)(C)C)cs3)[nH+]c12 ZINC000540732071 1035624519 /nfs/dbraw/zinc/62/45/19/1035624519.db2.gz WZLACWAJMMWNQY-UHFFFAOYSA-N 1 2 342.468 3.869 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186683750 1035685332 /nfs/dbraw/zinc/68/53/32/1035685332.db2.gz MDFRELORZSEFSN-AUUYWEPGSA-N 1 2 344.480 3.872 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186683750 1035685338 /nfs/dbraw/zinc/68/53/38/1035685338.db2.gz MDFRELORZSEFSN-AUUYWEPGSA-N 1 2 344.480 3.872 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1CCC(c2ccccc2)CC1 ZINC000463685982 1035741960 /nfs/dbraw/zinc/74/19/60/1035741960.db2.gz MYRXKYBOZZNOJN-UHFFFAOYSA-N 1 2 337.467 3.974 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000492415524 1035746812 /nfs/dbraw/zinc/74/68/12/1035746812.db2.gz KZLQLJNDHMMUHQ-ARJAWSKDSA-N 1 2 329.469 3.677 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1F ZINC000534915819 1035754484 /nfs/dbraw/zinc/75/44/84/1035754484.db2.gz YCUSLLPAXPUUGU-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc1F ZINC000534915819 1035754506 /nfs/dbraw/zinc/75/45/06/1035754506.db2.gz YCUSLLPAXPUUGU-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO CCn1c2ccccc2n(C[NH+]2CCC(n3ccnc3)CC2)c1=S ZINC000152103729 1035797412 /nfs/dbraw/zinc/79/74/12/1035797412.db2.gz JKDAWWDAOKDEGH-UHFFFAOYSA-N 1 2 341.484 3.683 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)c1cc2n(n1)CCC2 ZINC000414153584 1035802243 /nfs/dbraw/zinc/80/22/43/1035802243.db2.gz YHXSIYWWGKPPTF-ZDUSSCGKSA-N 1 2 341.846 3.519 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000540916171 1035805848 /nfs/dbraw/zinc/80/58/48/1035805848.db2.gz ZOIHZTPETWCJSJ-GFCCVEGCSA-N 1 2 345.468 3.634 20 0 EHADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000571970316 1035853934 /nfs/dbraw/zinc/85/39/34/1035853934.db2.gz JNBUDVGHZXFGBK-HNNXBMFYSA-N 1 2 337.345 3.656 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)[nH]1 ZINC000540995225 1035894983 /nfs/dbraw/zinc/89/49/83/1035894983.db2.gz BMSFPCVRQRJTEC-UHFFFAOYSA-N 1 2 330.815 3.744 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)[nH]1 ZINC000540995225 1035894987 /nfs/dbraw/zinc/89/49/87/1035894987.db2.gz BMSFPCVRQRJTEC-UHFFFAOYSA-N 1 2 330.815 3.744 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000541032959 1035927041 /nfs/dbraw/zinc/92/70/41/1035927041.db2.gz FYFPTGWJJOELBO-WBVHZDCISA-N 1 2 332.463 3.857 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457284127 1035940747 /nfs/dbraw/zinc/94/07/47/1035940747.db2.gz QEOHNGSWWVAYEN-HKUYNNGSSA-N 1 2 335.451 3.589 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2cccc(Br)c2)c(C)c[nH+]1 ZINC000535060686 1035943124 /nfs/dbraw/zinc/94/31/24/1035943124.db2.gz IVWUQUKBBXAROY-UHFFFAOYSA-N 1 2 348.244 3.547 20 0 EHADLO Cc1cc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000535060903 1035943509 /nfs/dbraw/zinc/94/35/09/1035943509.db2.gz HUKGJTSDNHVVHE-AWEZNQCLSA-N 1 2 331.847 3.869 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2sccc2[nH]1 ZINC000188701062 1035958298 /nfs/dbraw/zinc/95/82/98/1035958298.db2.gz XSHJSMGQWCTSKU-UHFFFAOYSA-N 1 2 326.356 3.807 20 0 EHADLO C[C@@H]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572049173 1035960967 /nfs/dbraw/zinc/96/09/67/1035960967.db2.gz LRXOLDXTIBJLLD-IKGGRYGDSA-N 1 2 344.503 3.545 20 0 EHADLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000535075120 1035997321 /nfs/dbraw/zinc/99/73/21/1035997321.db2.gz WYYNYTQJOOQDOV-CQSZACIVSA-N 1 2 346.393 3.802 20 0 EHADLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000535075120 1035997331 /nfs/dbraw/zinc/99/73/31/1035997331.db2.gz WYYNYTQJOOQDOV-CQSZACIVSA-N 1 2 346.393 3.802 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2OC(F)F)cc1O ZINC000659996652 1035999569 /nfs/dbraw/zinc/99/95/69/1035999569.db2.gz OHIHQSBUHQQAAA-UHFFFAOYSA-N 1 2 341.329 3.773 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2OC(F)F)cc1O ZINC000659996652 1035999578 /nfs/dbraw/zinc/99/95/78/1035999578.db2.gz OHIHQSBUHQQAAA-UHFFFAOYSA-N 1 2 341.329 3.773 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000463966088 1036010511 /nfs/dbraw/zinc/01/05/11/1036010511.db2.gz SGJORMYXHAZFHR-WDSOQIARSA-N 1 2 340.471 3.558 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000613484135 1036036047 /nfs/dbraw/zinc/03/60/47/1036036047.db2.gz KRLZVPYXDNZCJF-PKOBYXMFSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000613484135 1036036067 /nfs/dbraw/zinc/03/60/67/1036036067.db2.gz KRLZVPYXDNZCJF-PKOBYXMFSA-N 1 2 344.499 3.698 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164244 1036051460 /nfs/dbraw/zinc/05/14/60/1036051460.db2.gz JHDCIGJNMIMVKT-YOEHRIQHSA-N 1 2 342.405 3.792 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164244 1036051483 /nfs/dbraw/zinc/05/14/83/1036051483.db2.gz JHDCIGJNMIMVKT-YOEHRIQHSA-N 1 2 342.405 3.792 20 0 EHADLO CC(C)c1cccc(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000457391863 1036054503 /nfs/dbraw/zinc/05/45/03/1036054503.db2.gz BJRHJVSESPVRCP-UHFFFAOYSA-N 1 2 347.462 3.914 20 0 EHADLO CC(C)c1cccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000457418147 1036084453 /nfs/dbraw/zinc/08/44/53/1036084453.db2.gz PZCJRYKJYDOSPP-UHFFFAOYSA-N 1 2 337.467 3.664 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000170689090 1036091409 /nfs/dbraw/zinc/09/14/09/1036091409.db2.gz CMYPRWKPHPDNSW-HNNXBMFYSA-N 1 2 347.821 3.604 20 0 EHADLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1cc(Cl)ccc1F ZINC000170689090 1036091431 /nfs/dbraw/zinc/09/14/31/1036091431.db2.gz CMYPRWKPHPDNSW-HNNXBMFYSA-N 1 2 347.821 3.604 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(CSc2ccccc2)cc1 ZINC000174751058 1036091527 /nfs/dbraw/zinc/09/15/27/1036091527.db2.gz CIEDGRAHEYINLI-UHFFFAOYSA-N 1 2 337.448 3.675 20 0 EHADLO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572487056 1036114615 /nfs/dbraw/zinc/11/46/15/1036114615.db2.gz UTDPZMNLRXNCSO-CYBMUJFWSA-N 1 2 337.345 3.579 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C2 ZINC000541243664 1036115617 /nfs/dbraw/zinc/11/56/17/1036115617.db2.gz OUVQQNCWBOMQKG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)C2 ZINC000541243664 1036115625 /nfs/dbraw/zinc/11/56/25/1036115625.db2.gz OUVQQNCWBOMQKG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccccc1 ZINC000588850814 1036141608 /nfs/dbraw/zinc/14/16/08/1036141608.db2.gz HOFHOQUKEIKDCA-HNNXBMFYSA-N 1 2 337.423 3.545 20 0 EHADLO COCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccccc1 ZINC000588850814 1036141612 /nfs/dbraw/zinc/14/16/12/1036141612.db2.gz HOFHOQUKEIKDCA-HNNXBMFYSA-N 1 2 337.423 3.545 20 0 EHADLO CCc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000492679528 1036167205 /nfs/dbraw/zinc/16/72/05/1036167205.db2.gz GURDZKRVLXXGJK-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO CCc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000492679528 1036167222 /nfs/dbraw/zinc/16/72/22/1036167222.db2.gz GURDZKRVLXXGJK-FQEVSTJZSA-N 1 2 329.415 3.840 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(CCc3ccc(C)cc3)CC2)n1 ZINC000175053970 1036218254 /nfs/dbraw/zinc/21/82/54/1036218254.db2.gz QRKYVEYGRZJBEV-MRXNPFEDSA-N 1 2 343.471 3.930 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2csc3ccccc23)c1OC ZINC000190382368 1036233314 /nfs/dbraw/zinc/23/33/14/1036233314.db2.gz GQWHBHSTGIIYOG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2csc3ccccc23)c1OC ZINC000190382368 1036233331 /nfs/dbraw/zinc/23/33/31/1036233331.db2.gz GQWHBHSTGIIYOG-UHFFFAOYSA-N 1 2 328.437 3.946 20 0 EHADLO C[N@H+](CCc1ccccc1O)Cc1csc(Nc2ccccc2)n1 ZINC000541394447 1036278541 /nfs/dbraw/zinc/27/85/41/1036278541.db2.gz VEOBPYULMIHFML-UHFFFAOYSA-N 1 2 339.464 3.689 20 0 EHADLO C[N@@H+](CCc1ccccc1O)Cc1csc(Nc2ccccc2)n1 ZINC000541394447 1036278556 /nfs/dbraw/zinc/27/85/56/1036278556.db2.gz VEOBPYULMIHFML-UHFFFAOYSA-N 1 2 339.464 3.689 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190875320 1036286468 /nfs/dbraw/zinc/28/64/68/1036286468.db2.gz RWJDZGABZUBYPY-UHFFFAOYSA-N 1 2 325.206 3.516 20 0 EHADLO Cc1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000191063301 1036333430 /nfs/dbraw/zinc/33/34/30/1036333430.db2.gz OQMOWTJMEBRUAV-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO CCN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cn1 ZINC000191190679 1036344374 /nfs/dbraw/zinc/34/43/74/1036344374.db2.gz WHNHNACKJSJXON-UHFFFAOYSA-N 1 2 326.469 3.779 20 0 EHADLO CCN(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cn1 ZINC000191190679 1036344396 /nfs/dbraw/zinc/34/43/96/1036344396.db2.gz WHNHNACKJSJXON-UHFFFAOYSA-N 1 2 326.469 3.779 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175360409 1036347913 /nfs/dbraw/zinc/34/79/13/1036347913.db2.gz AFJPAVPGIDDRNM-SJORKVTESA-N 1 2 342.487 3.598 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc2cc(OC)ccc2c1 ZINC000414266260 1036361389 /nfs/dbraw/zinc/36/13/89/1036361389.db2.gz MAERRYOXZYTDAP-GOSISDBHSA-N 1 2 347.422 3.527 20 0 EHADLO CCC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCC1 ZINC000457664631 1036374045 /nfs/dbraw/zinc/37/40/45/1036374045.db2.gz INFCHLZTHDASEC-IBGZPJMESA-N 1 2 340.471 3.699 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000509035187 1036396128 /nfs/dbraw/zinc/39/61/28/1036396128.db2.gz BKUZRSYIQPGWJS-UHFFFAOYSA-N 1 2 329.831 3.889 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1conc1Cc1ccccc1 ZINC000509035187 1036396146 /nfs/dbraw/zinc/39/61/46/1036396146.db2.gz BKUZRSYIQPGWJS-UHFFFAOYSA-N 1 2 329.831 3.889 20 0 EHADLO Cc1cc(C)c(NC(=O)CCOCC(F)(F)C(F)(F)F)c(C)[nH+]1 ZINC000191864244 1036451108 /nfs/dbraw/zinc/45/11/08/1036451108.db2.gz KDDYTXOLJOFHLE-UHFFFAOYSA-N 1 2 340.292 3.550 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(C)c[nH+]1 ZINC000572677932 1036453984 /nfs/dbraw/zinc/45/39/84/1036453984.db2.gz WJQKUTNEPXIPAL-NVXWUHKLSA-N 1 2 327.403 3.717 20 0 EHADLO CCCC(=O)Nc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892600489 1036476068 /nfs/dbraw/zinc/47/60/68/1036476068.db2.gz RQRRUFDZXTYZOL-UHFFFAOYSA-N 1 2 332.473 3.690 20 0 EHADLO Fc1cccc(C[C@H]([NH2+]Cc2ncccn2)c2cccc(F)c2)c1 ZINC000192154941 1036481739 /nfs/dbraw/zinc/48/17/39/1036481739.db2.gz PRCRMRDSTGFYCH-SFHVURJKSA-N 1 2 325.362 3.828 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457779916 1036499233 /nfs/dbraw/zinc/49/92/33/1036499233.db2.gz SCGDYXPGFGEFQM-QWHCGFSZSA-N 1 2 343.393 3.514 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 ZINC000192466821 1036512491 /nfs/dbraw/zinc/51/24/91/1036512491.db2.gz PFDPEJWEQALFOU-CHWSQXEVSA-N 1 2 337.379 3.877 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)s1 ZINC000892602804 1036522768 /nfs/dbraw/zinc/52/27/68/1036522768.db2.gz FROHTZBFEREYBZ-UHFFFAOYSA-N 1 2 345.516 3.583 20 0 EHADLO CCCC[C@@H](CCC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175984046 1036543220 /nfs/dbraw/zinc/54/32/20/1036543220.db2.gz GYYVYZVGXJMTLX-PKOBYXMFSA-N 1 2 346.519 3.829 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000541661027 1036546597 /nfs/dbraw/zinc/54/65/97/1036546597.db2.gz XQLDVDBCDPBETO-OAHLLOKOSA-N 1 2 347.422 3.627 20 0 EHADLO CCC1(CC)C[N@H+](CC(=O)Nc2ccccc2Cl)CCS1 ZINC000464570127 1036557254 /nfs/dbraw/zinc/55/72/54/1036557254.db2.gz ALFVJHAIUSHLPH-UHFFFAOYSA-N 1 2 326.893 3.886 20 0 EHADLO CCC1(CC)C[N@@H+](CC(=O)Nc2ccccc2Cl)CCS1 ZINC000464570127 1036557273 /nfs/dbraw/zinc/55/72/73/1036557273.db2.gz ALFVJHAIUSHLPH-UHFFFAOYSA-N 1 2 326.893 3.886 20 0 EHADLO CC(C)n1ccnc1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000170958120 1036576363 /nfs/dbraw/zinc/57/63/63/1036576363.db2.gz OEWLYMLSEVMVOJ-INIZCTEOSA-N 1 2 346.906 3.996 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175821343 1036586238 /nfs/dbraw/zinc/58/62/38/1036586238.db2.gz DOBWWHKAOIKIRE-WIYYLYMNSA-N 1 2 329.403 3.919 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)CCc2c[nH+]cn2C)c1 ZINC000193296369 1036586932 /nfs/dbraw/zinc/58/69/32/1036586932.db2.gz GYMCBECDCZTFDV-LJQANCHMSA-N 1 2 325.456 3.805 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175957572 1036647230 /nfs/dbraw/zinc/64/72/30/1036647230.db2.gz KRBMGQZOXNOYIM-QAPCUYQASA-N 1 2 341.455 3.732 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175957572 1036647238 /nfs/dbraw/zinc/64/72/38/1036647238.db2.gz KRBMGQZOXNOYIM-QAPCUYQASA-N 1 2 341.455 3.732 20 0 EHADLO Cc1csc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)n1 ZINC000541774661 1036647263 /nfs/dbraw/zinc/64/72/63/1036647263.db2.gz YHRXUMPAQCZXOX-NSCUHMNNSA-N 1 2 335.423 3.565 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c(C)c1 ZINC000541792380 1036650834 /nfs/dbraw/zinc/65/08/34/1036650834.db2.gz ZUSZZVZNABELGX-UHFFFAOYSA-N 1 2 337.872 3.650 20 0 EHADLO CC(C)Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000302634848 1036661976 /nfs/dbraw/zinc/66/19/76/1036661976.db2.gz NMLMADHCGDVPGL-UHFFFAOYSA-N 1 2 343.496 3.511 20 0 EHADLO CC(C)Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000302634848 1036661988 /nfs/dbraw/zinc/66/19/88/1036661988.db2.gz NMLMADHCGDVPGL-UHFFFAOYSA-N 1 2 343.496 3.511 20 0 EHADLO CCC(CC)n1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)n1 ZINC000535577512 1036691581 /nfs/dbraw/zinc/69/15/81/1036691581.db2.gz ZTSLKIULXLAROW-UHFFFAOYSA-N 1 2 327.476 3.716 20 0 EHADLO COc1ccc([C@H](CCO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC000535592627 1036696426 /nfs/dbraw/zinc/69/64/26/1036696426.db2.gz GEUQWIGQAUVZRO-KRWDZBQOSA-N 1 2 343.471 3.690 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725720 1036708660 /nfs/dbraw/zinc/70/86/60/1036708660.db2.gz OXUMYORDEIUJGO-LRDDRELGSA-N 1 2 347.821 3.896 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000464725720 1036708683 /nfs/dbraw/zinc/70/86/83/1036708683.db2.gz OXUMYORDEIUJGO-LRDDRELGSA-N 1 2 347.821 3.896 20 0 EHADLO C[C@H](CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000493111165 1036718715 /nfs/dbraw/zinc/71/87/15/1036718715.db2.gz CDLJZPGQCYUJRY-LVDDQXARSA-N 1 2 337.345 3.590 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768848 1036757180 /nfs/dbraw/zinc/75/71/80/1036757180.db2.gz GQYSDSKYRGOMOX-HZPDHXFCSA-N 1 2 338.904 3.519 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768848 1036757189 /nfs/dbraw/zinc/75/71/89/1036757189.db2.gz GQYSDSKYRGOMOX-HZPDHXFCSA-N 1 2 338.904 3.519 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000464817227 1036830746 /nfs/dbraw/zinc/83/07/46/1036830746.db2.gz GHZRTJCRPUZENY-RDJZCZTQSA-N 1 2 342.439 3.772 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2ccccc2o1 ZINC000464817227 1036830756 /nfs/dbraw/zinc/83/07/56/1036830756.db2.gz GHZRTJCRPUZENY-RDJZCZTQSA-N 1 2 342.439 3.772 20 0 EHADLO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1O ZINC000302925164 1036860895 /nfs/dbraw/zinc/86/08/95/1036860895.db2.gz BATHQNASBLJMKW-UHFFFAOYSA-N 1 2 345.468 3.641 20 0 EHADLO CC(C)c1csc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000177724521 1036922120 /nfs/dbraw/zinc/92/21/20/1036922120.db2.gz ZPHXKHWZSVSNFS-JSGCOSHPSA-N 1 2 333.461 3.578 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC(CC(C)C)CC3)[nH+]c12 ZINC000760782231 1036928123 /nfs/dbraw/zinc/92/81/23/1036928123.db2.gz TYIFVFNVUHCDNT-UHFFFAOYSA-N 1 2 342.487 3.653 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000177763658 1036929826 /nfs/dbraw/zinc/92/98/26/1036929826.db2.gz FYAMLRLHAKECRJ-LJQANCHMSA-N 1 2 348.450 3.641 20 0 EHADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177773594 1036931974 /nfs/dbraw/zinc/93/19/74/1036931974.db2.gz LQVICWVJULSNFM-AWEZNQCLSA-N 1 2 348.406 3.983 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590131 1036958470 /nfs/dbraw/zinc/95/84/70/1036958470.db2.gz CIRBZWSIYBQAEP-DTJGQCLQSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590131 1036958486 /nfs/dbraw/zinc/95/84/86/1036958486.db2.gz CIRBZWSIYBQAEP-DTJGQCLQSA-N 1 2 338.854 3.777 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2ccccc2F)CC1)NCc1ccccc1 ZINC000464889695 1036958658 /nfs/dbraw/zinc/95/86/58/1036958658.db2.gz WDUIRQFUSBDQTG-UHFFFAOYSA-N 1 2 338.426 3.621 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000249777461 1036973369 /nfs/dbraw/zinc/97/33/69/1036973369.db2.gz KQTJVVHIVXWCDF-CEXWTWQISA-N 1 2 347.499 3.592 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000177954868 1036976379 /nfs/dbraw/zinc/97/63/79/1036976379.db2.gz DDTSBKZGWQKCQY-LJQANCHMSA-N 1 2 336.439 3.839 20 0 EHADLO CC(C)=C[C@@H]1[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000024750307 1036987995 /nfs/dbraw/zinc/98/79/95/1036987995.db2.gz YIBKAFRPWTXWNW-RTBURBONSA-N 1 2 337.467 3.786 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532362 1036993860 /nfs/dbraw/zinc/99/38/60/1036993860.db2.gz VKQNSVNRNANFMK-UONOGXRCSA-N 1 2 348.541 3.884 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2nc(N(C)C)sc2=S)C1 ZINC000151532362 1036993878 /nfs/dbraw/zinc/99/38/78/1036993878.db2.gz VKQNSVNRNANFMK-UONOGXRCSA-N 1 2 348.541 3.884 20 0 EHADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590725074 1037004896 /nfs/dbraw/zinc/00/48/96/1037004896.db2.gz BYDKRIDMNXKWQR-LJQANCHMSA-N 1 2 340.471 3.597 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725756 1037007573 /nfs/dbraw/zinc/00/75/73/1037007573.db2.gz UKRLAIHURPSRCF-HNNXBMFYSA-N 1 2 347.846 3.801 20 0 EHADLO Cc1cccn2cc(C[S@](=O)Cc3csc(C(C)(C)C)n3)[nH+]c12 ZINC000176511526 1037025901 /nfs/dbraw/zinc/02/59/01/1037025901.db2.gz ONPZMXXBXJFGKG-QHCPKHFHSA-N 1 2 347.509 3.846 20 0 EHADLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000178372564 1037030772 /nfs/dbraw/zinc/03/07/72/1037030772.db2.gz DXKPANQNCLPYOR-UHFFFAOYSA-N 1 2 327.815 3.582 20 0 EHADLO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)sc2nccc(C)c12 ZINC000590730128 1037031300 /nfs/dbraw/zinc/03/13/00/1037031300.db2.gz SHWSOERXNXIHQQ-AWEZNQCLSA-N 1 2 340.452 3.587 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729789 1037032059 /nfs/dbraw/zinc/03/20/59/1037032059.db2.gz ZBXUQMIAHORFFB-GVDBMIGSSA-N 1 2 329.831 3.504 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590729044 1037033221 /nfs/dbraw/zinc/03/32/21/1037033221.db2.gz OHJABQKEMATGRL-IBGZPJMESA-N 1 2 325.456 3.803 20 0 EHADLO O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590731633 1037034900 /nfs/dbraw/zinc/03/49/00/1037034900.db2.gz PZTRMIQYKINBJA-IBGZPJMESA-N 1 2 343.430 3.932 20 0 EHADLO OCCSCc1cc[nH+]c(NC2CCc3ccccc3CC2)c1 ZINC000590778338 1037045497 /nfs/dbraw/zinc/04/54/97/1037045497.db2.gz GTVFYQVDYIAFOR-UHFFFAOYSA-N 1 2 328.481 3.667 20 0 EHADLO CCCc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393346016 1037077954 /nfs/dbraw/zinc/07/79/54/1037077954.db2.gz CAGUCJUYNIOTDV-GFCCVEGCSA-N 1 2 336.277 3.986 20 0 EHADLO Cc1ccncc1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666454278 1037079024 /nfs/dbraw/zinc/07/90/24/1037079024.db2.gz HQMCRSBMVCLFRI-UHFFFAOYSA-N 1 2 346.434 3.771 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000590846914 1037079386 /nfs/dbraw/zinc/07/93/86/1037079386.db2.gz VWEPQDICWLYZDE-GDBMZVCRSA-N 1 2 338.411 3.737 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000590845507 1037080102 /nfs/dbraw/zinc/08/01/02/1037080102.db2.gz XHYCWXZJEDRGMN-BBRMVZONSA-N 1 2 332.835 3.644 20 0 EHADLO O=C(NCCc1cccc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853690 1037100633 /nfs/dbraw/zinc/10/06/33/1037100633.db2.gz CUZTVOPZGBNOON-LJQANCHMSA-N 1 2 348.450 3.626 20 0 EHADLO Cc1ccc2oc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2c1 ZINC000666474433 1037110146 /nfs/dbraw/zinc/11/01/46/1037110146.db2.gz ZRXIVSBHXZOVDZ-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO Cc1ccc2oc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2c1 ZINC000666474433 1037110158 /nfs/dbraw/zinc/11/01/58/1037110158.db2.gz ZRXIVSBHXZOVDZ-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO Cc1ccccc1[C@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1 ZINC000176681430 1037113994 /nfs/dbraw/zinc/11/39/94/1037113994.db2.gz FOCTZRKFDWZKHT-OAQYLSRUSA-N 1 2 328.419 3.917 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539715820 1037115911 /nfs/dbraw/zinc/11/59/11/1037115911.db2.gz WGXHGSWSDZXHFS-FQEVSTJZSA-N 1 2 327.399 3.780 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)CCO1 ZINC000539715820 1037115924 /nfs/dbraw/zinc/11/59/24/1037115924.db2.gz WGXHGSWSDZXHFS-FQEVSTJZSA-N 1 2 327.399 3.780 20 0 EHADLO CCC(CC)(CC)C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000542166857 1037129044 /nfs/dbraw/zinc/12/90/44/1037129044.db2.gz FZOCYYXLATWZQD-UHFFFAOYSA-N 1 2 326.488 3.901 20 0 EHADLO CCC(CC)(CC)C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000542166857 1037129051 /nfs/dbraw/zinc/12/90/51/1037129051.db2.gz FZOCYYXLATWZQD-UHFFFAOYSA-N 1 2 326.488 3.901 20 0 EHADLO Cc1cc(NC(=O)N(Cc2ccccc2F)CC2CC2)c(C)c[nH+]1 ZINC000666496682 1037154251 /nfs/dbraw/zinc/15/42/51/1037154251.db2.gz SEPPQYCQRFRJQS-UHFFFAOYSA-N 1 2 327.403 3.704 20 0 EHADLO FC1(F)Oc2cccc(C[NH2+]Cc3ccn(C4CCCC4)n3)c2O1 ZINC000414384947 1037196575 /nfs/dbraw/zinc/19/65/75/1037196575.db2.gz WCCUIKXIGQNNAA-UHFFFAOYSA-N 1 2 335.354 3.610 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493283333 1037218688 /nfs/dbraw/zinc/21/86/88/1037218688.db2.gz HHNOTCQHQGXVOM-QDZRJHCZSA-N 1 2 337.345 3.531 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC000610828176 1037238503 /nfs/dbraw/zinc/23/85/03/1037238503.db2.gz DIPMUPKLYZNNNL-LJQANCHMSA-N 1 2 329.440 3.547 20 0 EHADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC000610828176 1037238513 /nfs/dbraw/zinc/23/85/13/1037238513.db2.gz DIPMUPKLYZNNNL-LJQANCHMSA-N 1 2 329.440 3.547 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000151427234 1037250491 /nfs/dbraw/zinc/25/04/91/1037250491.db2.gz IKDYJJVXJVZVPG-CYBMUJFWSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000151427234 1037250500 /nfs/dbraw/zinc/25/05/00/1037250500.db2.gz IKDYJJVXJVZVPG-CYBMUJFWSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000151427162 1037250774 /nfs/dbraw/zinc/25/07/74/1037250774.db2.gz IKDYJJVXJVZVPG-ZDUSSCGKSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000151427162 1037250792 /nfs/dbraw/zinc/25/07/92/1037250792.db2.gz IKDYJJVXJVZVPG-ZDUSSCGKSA-N 1 2 348.899 3.807 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1cscn1 ZINC000661423266 1037258997 /nfs/dbraw/zinc/25/89/97/1037258997.db2.gz LYEWGZKNIHXILY-CYBMUJFWSA-N 1 2 349.475 3.760 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833101 1037263685 /nfs/dbraw/zinc/26/36/85/1037263685.db2.gz JBKSIUJVPUOYOK-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000539833101 1037263702 /nfs/dbraw/zinc/26/37/02/1037263702.db2.gz JBKSIUJVPUOYOK-VXGBXAGGSA-N 1 2 328.161 3.881 20 0 EHADLO CCc1cnc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000542309355 1037275643 /nfs/dbraw/zinc/27/56/43/1037275643.db2.gz FZWUILPCXZBSDG-CYBMUJFWSA-N 1 2 330.375 3.548 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C4CCC4)C3)cn2c1 ZINC000591238139 1037283656 /nfs/dbraw/zinc/28/36/56/1037283656.db2.gz WCIGLMLOQDYWDN-INIZCTEOSA-N 1 2 343.496 3.525 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136001 1037294993 /nfs/dbraw/zinc/29/49/93/1037294993.db2.gz MOYSAZFFPNMPOZ-CRAIPNDOSA-N 1 2 325.456 3.557 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136001 1037295002 /nfs/dbraw/zinc/29/50/02/1037295002.db2.gz MOYSAZFFPNMPOZ-CRAIPNDOSA-N 1 2 325.456 3.557 20 0 EHADLO Fc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1OC(F)F ZINC000539852771 1037296284 /nfs/dbraw/zinc/29/62/84/1037296284.db2.gz PKCZMDOHZFKAEF-UHFFFAOYSA-N 1 2 342.386 3.811 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000532452831 1037315382 /nfs/dbraw/zinc/31/53/82/1037315382.db2.gz DWPFFGIECFAIIC-QRWLVFNGSA-N 1 2 333.435 3.891 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610949738 1037330072 /nfs/dbraw/zinc/33/00/72/1037330072.db2.gz CBJXCLZIYUISPU-FUHWJXTLSA-N 1 2 343.496 3.616 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000505427185 1037395326 /nfs/dbraw/zinc/39/53/26/1037395326.db2.gz LCFKGZBNSWPHLI-UHFFFAOYSA-N 1 2 345.512 3.672 20 0 EHADLO CCc1cc(OCC(=O)NCc2sccc2C)c2ccccc2[nH+]1 ZINC000539953061 1037398583 /nfs/dbraw/zinc/39/85/83/1037398583.db2.gz YUKFVPHHJKVEFY-UHFFFAOYSA-N 1 2 340.448 3.862 20 0 EHADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(Br)c1 ZINC000573376639 1037455685 /nfs/dbraw/zinc/45/56/85/1037455685.db2.gz WIAXKDVVALMRBM-GFCCVEGCSA-N 1 2 336.233 3.650 20 0 EHADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573327634 1037466304 /nfs/dbraw/zinc/46/63/04/1037466304.db2.gz QQLPVJVDUYFQLS-SXLOBPIMSA-N 1 2 337.467 3.630 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000493544243 1037466692 /nfs/dbraw/zinc/46/66/92/1037466692.db2.gz HNAPCMPTXQZTHB-UZYOAWRESA-N 1 2 346.228 3.549 20 0 EHADLO Cn1nc2c(c1C[NH2+]Cc1csc(-c3cccs3)n1)CCCC2 ZINC000462871525 1037478967 /nfs/dbraw/zinc/47/89/67/1037478967.db2.gz QKRLCRAUONKCGB-UHFFFAOYSA-N 1 2 344.509 3.774 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC(c2ccccc2)C1 ZINC000573439069 1037494486 /nfs/dbraw/zinc/49/44/86/1037494486.db2.gz MRVUZUXEHCRFDV-MHJFOBGBSA-N 1 2 345.446 3.994 20 0 EHADLO Cn1c2ccccc2cc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1=O ZINC000491472642 1037494969 /nfs/dbraw/zinc/49/49/69/1037494969.db2.gz WKZYEZZJEAHPRT-UHFFFAOYSA-N 1 2 341.480 3.582 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152672614 1037497871 /nfs/dbraw/zinc/49/78/71/1037497871.db2.gz KEHSUKOEFBAMSM-ZDUSSCGKSA-N 1 2 327.428 3.597 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000493621121 1037497946 /nfs/dbraw/zinc/49/79/46/1037497946.db2.gz KNICAFMDMIGGAK-YAINUAMHSA-N 1 2 349.478 3.947 20 0 EHADLO O=C(Nc1ncc(C2CCCCC2)s1)[C@H]1CCc2c[nH+]cn2C1 ZINC000573449335 1037499220 /nfs/dbraw/zinc/49/92/20/1037499220.db2.gz RJTZIQXZAMPVFG-ZDUSSCGKSA-N 1 2 330.457 3.588 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3C[C@@H]3Cc3ccccc3)c12 ZINC000462883305 1037511716 /nfs/dbraw/zinc/51/17/16/1037511716.db2.gz JSFDXTSWVZZXMT-LPHOPBHVSA-N 1 2 341.418 3.859 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000613546423 1037528157 /nfs/dbraw/zinc/52/81/57/1037528157.db2.gz XXGQYWVKAWESBG-LBPRGKRZSA-N 1 2 348.434 3.932 20 0 EHADLO Fc1ccc(NC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000101561293 1037569858 /nfs/dbraw/zinc/56/98/58/1037569858.db2.gz LNSKAFOSFUIRKD-UHFFFAOYSA-N 1 2 342.374 3.545 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863970 1037575041 /nfs/dbraw/zinc/57/50/41/1037575041.db2.gz LUTPSRHAMAGGPY-JKSUJKDBSA-N 1 2 329.831 3.504 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000493729614 1037587454 /nfs/dbraw/zinc/58/74/54/1037587454.db2.gz WKZXYZHXRIGLKE-BQYQJAHWSA-N 1 2 335.329 3.633 20 0 EHADLO C[C@]1(Cc2cccs2)CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914308017 1037611382 /nfs/dbraw/zinc/61/13/82/1037611382.db2.gz KZFBXJXLRPCHHK-GOSISDBHSA-N 1 2 346.500 3.532 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C=Cc1[nH]cc[nH+]1 ZINC000493796074 1037621312 /nfs/dbraw/zinc/62/13/12/1037621312.db2.gz SXBVRWSZLWAEPP-FPLPWBNLSA-N 1 2 342.399 3.717 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000914330664 1037649780 /nfs/dbraw/zinc/64/97/80/1037649780.db2.gz AQFKWBJZLCCREU-AWEZNQCLSA-N 1 2 344.484 3.799 20 0 EHADLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000591810924 1037652249 /nfs/dbraw/zinc/65/22/49/1037652249.db2.gz MKUPUIOWRQZYIV-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000591810924 1037652257 /nfs/dbraw/zinc/65/22/57/1037652257.db2.gz MKUPUIOWRQZYIV-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)CC2CCCC2)c(=S)o1 ZINC000058207591 1037653119 /nfs/dbraw/zinc/65/31/19/1037653119.db2.gz AJJAPXGNGYRJEQ-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)CC2CCCC2)c(=S)o1 ZINC000058207591 1037653131 /nfs/dbraw/zinc/65/31/31/1037653131.db2.gz AJJAPXGNGYRJEQ-UHFFFAOYSA-N 1 2 333.457 3.961 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@@H](C)O1 ZINC000532574545 1037679930 /nfs/dbraw/zinc/67/99/30/1037679930.db2.gz DXHLOJVOOWYAIK-BFYDXBDKSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@@H](C)O1 ZINC000532574545 1037679940 /nfs/dbraw/zinc/67/99/40/1037679940.db2.gz DXHLOJVOOWYAIK-BFYDXBDKSA-N 1 2 326.440 3.666 20 0 EHADLO CC(C)n1cc([C@@H](C)NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000491866961 1037744172 /nfs/dbraw/zinc/74/41/72/1037744172.db2.gz MCKZRKDGRLBWQI-CXOKCQFOSA-N 1 2 349.438 3.540 20 0 EHADLO C=C/C=C/CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222680 1037792718 /nfs/dbraw/zinc/79/27/18/1037792718.db2.gz MVOWKEZAFDANAF-NFAHFFEMSA-N 1 2 338.245 3.727 20 0 EHADLO C=C/C=C/CC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222680 1037792734 /nfs/dbraw/zinc/79/27/34/1037792734.db2.gz MVOWKEZAFDANAF-NFAHFFEMSA-N 1 2 338.245 3.727 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000651255979 1037802780 /nfs/dbraw/zinc/80/27/80/1037802780.db2.gz PJCRTIJSPRUIKE-YOEHRIQHSA-N 1 2 330.407 3.520 20 0 EHADLO C/C(=C/c1ccc(F)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000176501072 1037853790 /nfs/dbraw/zinc/85/37/90/1037853790.db2.gz UFIYTLJDAIDPLO-PFONDFGASA-N 1 2 327.403 3.633 20 0 EHADLO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000592204390 1037885919 /nfs/dbraw/zinc/88/59/19/1037885919.db2.gz RUYKODCTQIEMTD-GFCCVEGCSA-N 1 2 348.468 3.647 20 0 EHADLO CC[N@@H+](CCSC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000592204390 1037885941 /nfs/dbraw/zinc/88/59/41/1037885941.db2.gz RUYKODCTQIEMTD-GFCCVEGCSA-N 1 2 348.468 3.647 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1OC ZINC000492063327 1037929252 /nfs/dbraw/zinc/92/92/52/1037929252.db2.gz OVCYXCDQMZRMAJ-UHFFFAOYSA-N 1 2 344.333 3.736 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)CC(C)(C)C)c(=S)n1C ZINC000151938439 1037954433 /nfs/dbraw/zinc/95/44/33/1037954433.db2.gz KMUJENDQOWLIFO-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)CC(C)(C)C)c(=S)n1C ZINC000151938439 1037954453 /nfs/dbraw/zinc/95/44/53/1037954453.db2.gz KMUJENDQOWLIFO-UHFFFAOYSA-N 1 2 334.489 3.562 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc4ccccc4nc3Cl)C2)n[nH]1 ZINC000760964346 1037954471 /nfs/dbraw/zinc/95/44/71/1037954471.db2.gz ZRHIIAYTZYEICT-AWEZNQCLSA-N 1 2 341.846 3.694 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)n[nH]1 ZINC000760964346 1037954484 /nfs/dbraw/zinc/95/44/84/1037954484.db2.gz ZRHIIAYTZYEICT-AWEZNQCLSA-N 1 2 341.846 3.694 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454189569 1037975893 /nfs/dbraw/zinc/97/58/93/1037975893.db2.gz XXNJADJNYJNFPD-OAHLLOKOSA-N 1 2 327.428 3.576 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000540477931 1037985978 /nfs/dbraw/zinc/98/59/78/1037985978.db2.gz AFFQETMEIUMKDM-NWDGAFQWSA-N 1 2 338.854 3.919 20 0 EHADLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000180035790 1038019473 /nfs/dbraw/zinc/01/94/73/1038019473.db2.gz CXWNPPFVQNRNHG-HXUWFJFHSA-N 1 2 349.434 3.691 20 0 EHADLO CCC(CC)[C@@H](C(=O)Nc1cccc(C(F)F)c1)[NH+]1CCOCC1 ZINC000173409304 1038078248 /nfs/dbraw/zinc/07/82/48/1038078248.db2.gz SWSDGAYLTRGJHD-INIZCTEOSA-N 1 2 340.414 3.700 20 0 EHADLO COc1ccc([C@@H](NC(=O)NCc2c[nH+]c(C)cc2C)C2CC2)cc1 ZINC000454204854 1038098478 /nfs/dbraw/zinc/09/84/78/1038098478.db2.gz PSYRMMDSISLNRG-IBGZPJMESA-N 1 2 339.439 3.658 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000124375331 1038176441 /nfs/dbraw/zinc/17/64/41/1038176441.db2.gz RPQWVSOITBBHJJ-UHFFFAOYSA-N 1 2 327.472 3.611 20 0 EHADLO CC[N@@H+](Cc1ccccc1C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000042133451 1038194832 /nfs/dbraw/zinc/19/48/32/1038194832.db2.gz JWNZPBJGXASJQM-UHFFFAOYSA-N 1 2 347.418 4.000 20 0 EHADLO CC[N@H+](Cc1ccccc1C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000042133451 1038194840 /nfs/dbraw/zinc/19/48/40/1038194840.db2.gz JWNZPBJGXASJQM-UHFFFAOYSA-N 1 2 347.418 4.000 20 0 EHADLO O=C(CCCc1ccc2c(c1)CCCC2)NCCCCn1cc[nH+]c1 ZINC000651333654 1038207223 /nfs/dbraw/zinc/20/72/23/1038207223.db2.gz SDCBSAVCZNLDJD-UHFFFAOYSA-N 1 2 339.483 3.681 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c[nH+]1 ZINC000454209549 1038210141 /nfs/dbraw/zinc/21/01/41/1038210141.db2.gz RMUHMCYNSUUINE-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H](C)C3)cn2c1 ZINC000042740352 1038250802 /nfs/dbraw/zinc/25/08/02/1038250802.db2.gz GUQURSMYFQBZTQ-DZGCQCFKSA-N 1 2 331.485 3.571 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000378267160 1038339244 /nfs/dbraw/zinc/33/92/44/1038339244.db2.gz TWUDQWJLYZGPBX-HNNXBMFYSA-N 1 2 342.443 3.537 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461380371 1038376608 /nfs/dbraw/zinc/37/66/08/1038376608.db2.gz SZUIEJNFECSKTL-OAHLLOKOSA-N 1 2 342.405 3.573 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461380371 1038376621 /nfs/dbraw/zinc/37/66/21/1038376621.db2.gz SZUIEJNFECSKTL-OAHLLOKOSA-N 1 2 342.405 3.573 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2cccc(F)c2)no1 ZINC000041807629 1038385239 /nfs/dbraw/zinc/38/52/39/1038385239.db2.gz OCACPUMLXRTGIA-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CC(C)[N@@H+](Cc1ccccc1)Cn1nc(C(F)F)n(C)c1=S ZINC000181311547 1038386428 /nfs/dbraw/zinc/38/64/28/1038386428.db2.gz AQJHFKQEHOBOEP-UHFFFAOYSA-N 1 2 326.416 3.757 20 0 EHADLO CC(C)[N@H+](Cc1ccccc1)Cn1nc(C(F)F)n(C)c1=S ZINC000181311547 1038386442 /nfs/dbraw/zinc/38/64/42/1038386442.db2.gz AQJHFKQEHOBOEP-UHFFFAOYSA-N 1 2 326.416 3.757 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(C)[nH+]1 ZINC000667118389 1038440900 /nfs/dbraw/zinc/44/09/00/1038440900.db2.gz PSXSGUAHCBRPLN-AAEUAGOBSA-N 1 2 345.365 3.580 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732694 1038499539 /nfs/dbraw/zinc/49/95/39/1038499539.db2.gz IZZHSQDCGFHLHP-ZYHUDNBSSA-N 1 2 328.161 3.881 20 0 EHADLO COc1sc(C[N@@H+]2CCSC(C)(C)C2)cc1Br ZINC000538728279 1038493700 /nfs/dbraw/zinc/49/37/00/1038493700.db2.gz KAPFGPBHFYLIBC-UHFFFAOYSA-N 1 2 336.320 3.847 20 0 EHADLO COc1sc(C[N@H+]2CCSC(C)(C)C2)cc1Br ZINC000538728279 1038493708 /nfs/dbraw/zinc/49/37/08/1038493708.db2.gz KAPFGPBHFYLIBC-UHFFFAOYSA-N 1 2 336.320 3.847 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000538732694 1038499535 /nfs/dbraw/zinc/49/95/35/1038499535.db2.gz IZZHSQDCGFHLHP-ZYHUDNBSSA-N 1 2 328.161 3.881 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c(F)c1 ZINC000544449696 1038508320 /nfs/dbraw/zinc/50/83/20/1038508320.db2.gz PHFYLMKXLZXGIH-KRWDZBQOSA-N 1 2 348.418 3.669 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2cn[nH]n2)cc1 ZINC000651376255 1038623738 /nfs/dbraw/zinc/62/37/38/1038623738.db2.gz VNVJEGQSOUCEQF-YWZLYKJASA-N 1 2 336.414 3.743 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2c[nH]nn2)cc1 ZINC000651376255 1038623743 /nfs/dbraw/zinc/62/37/43/1038623743.db2.gz VNVJEGQSOUCEQF-YWZLYKJASA-N 1 2 336.414 3.743 20 0 EHADLO CC(C)Oc1ncccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000924684936 1038704358 /nfs/dbraw/zinc/70/43/58/1038704358.db2.gz OBXDIKIEMYUPHO-INIZCTEOSA-N 1 2 332.831 3.883 20 0 EHADLO COc1cccc(SCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000660012329 1038706676 /nfs/dbraw/zinc/70/66/76/1038706676.db2.gz BTIMBZRKXDPPDY-IBGZPJMESA-N 1 2 345.464 3.566 20 0 EHADLO COc1cccc(SCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000660012329 1038706684 /nfs/dbraw/zinc/70/66/84/1038706684.db2.gz BTIMBZRKXDPPDY-IBGZPJMESA-N 1 2 345.464 3.566 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cs1 ZINC000539336226 1038785927 /nfs/dbraw/zinc/78/59/27/1038785927.db2.gz GLPXIVQENRWEEK-UHFFFAOYSA-N 1 2 340.395 3.623 20 0 EHADLO COCCSCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000488051534 1038811066 /nfs/dbraw/zinc/81/10/66/1038811066.db2.gz QTRMMBIXNDRUAO-INIZCTEOSA-N 1 2 347.883 3.622 20 0 EHADLO COCCSCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000488051534 1038811092 /nfs/dbraw/zinc/81/10/92/1038811092.db2.gz QTRMMBIXNDRUAO-INIZCTEOSA-N 1 2 347.883 3.622 20 0 EHADLO FC(F)Cn1ncnc1C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000488127974 1038888135 /nfs/dbraw/zinc/88/81/35/1038888135.db2.gz PICQYMCCENAYIG-KRWDZBQOSA-N 1 2 348.441 3.778 20 0 EHADLO FC(F)Cn1ncnc1C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000488127974 1038888151 /nfs/dbraw/zinc/88/81/51/1038888151.db2.gz PICQYMCCENAYIG-KRWDZBQOSA-N 1 2 348.441 3.778 20 0 EHADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667575889 1038890667 /nfs/dbraw/zinc/89/06/67/1038890667.db2.gz XQYZAKXHWNMBRV-MANSERQUSA-N 1 2 337.467 3.708 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000479926359 1038903139 /nfs/dbraw/zinc/90/31/39/1038903139.db2.gz IJFBYCCBXIWORF-IBGZPJMESA-N 1 2 327.472 3.637 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccccc1Cl ZINC000488174222 1038933413 /nfs/dbraw/zinc/93/34/13/1038933413.db2.gz WKKFOQMXVXQNRE-HNNXBMFYSA-N 1 2 328.794 3.684 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(F)c2ccccc12 ZINC000479952346 1038936836 /nfs/dbraw/zinc/93/68/36/1038936836.db2.gz DORSLVXBVZZRHK-UHFFFAOYSA-N 1 2 337.398 3.996 20 0 EHADLO Cc1ccccc1C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000338685404 1038976855 /nfs/dbraw/zinc/97/68/55/1038976855.db2.gz ISTDDGWPZXRBFB-UHFFFAOYSA-N 1 2 331.419 3.642 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@H](C2CCC2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000645784905 1038992715 /nfs/dbraw/zinc/99/27/15/1038992715.db2.gz CJNNJAGBDKMNIT-LZQZEXGQSA-N 1 2 344.503 3.835 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H](C2CCC2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000645784904 1038993852 /nfs/dbraw/zinc/99/38/52/1038993852.db2.gz CJNNJAGBDKMNIT-AYOQOUSVSA-N 1 2 344.503 3.835 20 0 EHADLO CC(C)C[C@@H](C)CSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000512396714 1039002444 /nfs/dbraw/zinc/00/24/44/1039002444.db2.gz SEOPXEHMYYPKES-QGZVFWFLSA-N 1 2 349.544 3.536 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(C(F)(F)F)cnn1C ZINC000667590457 1039009100 /nfs/dbraw/zinc/00/91/00/1039009100.db2.gz WKVVYGCQTCFLIN-AWEZNQCLSA-N 1 2 339.361 3.785 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(C(F)(F)F)cnn1C ZINC000667590457 1039009114 /nfs/dbraw/zinc/00/91/14/1039009114.db2.gz WKVVYGCQTCFLIN-AWEZNQCLSA-N 1 2 339.361 3.785 20 0 EHADLO O=C(N[C@@H](C1CCC1)C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645785672 1039031951 /nfs/dbraw/zinc/03/19/51/1039031951.db2.gz OHELGORBOFKTDA-ZWKOTPCHSA-N 1 2 330.476 3.589 20 0 EHADLO COc1cccc(SCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000112888011 1039045817 /nfs/dbraw/zinc/04/58/17/1039045817.db2.gz CWGVBLJIDODIPU-UHFFFAOYSA-N 1 2 339.420 3.816 20 0 EHADLO O=C(Cc1cccc(Cl)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552230658 1039094268 /nfs/dbraw/zinc/09/42/68/1039094268.db2.gz RJPOBSCSRHLWGK-QAQDUYKDSA-N 1 2 343.858 3.817 20 0 EHADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1sccc1-c1ccccc1 ZINC000898482799 1039109678 /nfs/dbraw/zinc/10/96/78/1039109678.db2.gz DCAZUAYTZIQGEX-HNNXBMFYSA-N 1 2 332.444 3.579 20 0 EHADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1sccc1-c1ccccc1 ZINC000898482799 1039109685 /nfs/dbraw/zinc/10/96/85/1039109685.db2.gz DCAZUAYTZIQGEX-HNNXBMFYSA-N 1 2 332.444 3.579 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CC2(C)C)C[C@@H](C)O1 ZINC000488353081 1039111259 /nfs/dbraw/zinc/11/12/59/1039111259.db2.gz OOFPDUCOFNMXMJ-IIDMSEBBSA-N 1 2 345.487 3.558 20 0 EHADLO CCOC(=O)c1csc(C2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)n1 ZINC000429580104 1039140711 /nfs/dbraw/zinc/14/07/11/1039140711.db2.gz NWRQKQJQOBZJFU-LBPRGKRZSA-N 1 2 349.456 3.557 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ncc(Br)cn1 ZINC000552311928 1039161456 /nfs/dbraw/zinc/16/14/56/1039161456.db2.gz IXURCOMWPATMDV-LBPRGKRZSA-N 1 2 346.272 3.969 20 0 EHADLO C[C@H]1CCC(C)(C)N1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000924034615 1039169504 /nfs/dbraw/zinc/16/95/04/1039169504.db2.gz LFDFXXHZNGVNRJ-RDJZCZTQSA-N 1 2 326.444 3.597 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2ccccc2COC(C)C)c(C)[nH+]1 ZINC000905922839 1039188029 /nfs/dbraw/zinc/18/80/29/1039188029.db2.gz IIMGSTDHMWAPTO-UHFFFAOYSA-N 1 2 326.440 3.862 20 0 EHADLO CC(C)COc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1 ZINC000432791324 1039198493 /nfs/dbraw/zinc/19/84/93/1039198493.db2.gz GAXJLCUUNFYZHU-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO CC(C)COc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1 ZINC000432791324 1039198504 /nfs/dbraw/zinc/19/85/04/1039198504.db2.gz GAXJLCUUNFYZHU-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC000488464897 1039207228 /nfs/dbraw/zinc/20/72/28/1039207228.db2.gz NOPDIYBWLWJCTC-LZLYRXPVSA-N 1 2 341.503 3.633 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000554316249 1039219002 /nfs/dbraw/zinc/21/90/02/1039219002.db2.gz ARLKQUBJGQDPNT-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1Cl ZINC000906019215 1039237301 /nfs/dbraw/zinc/23/73/01/1039237301.db2.gz SKTOHFDENXQTSD-OAHLLOKOSA-N 1 2 346.862 3.645 20 0 EHADLO Cc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1Cl ZINC000906019215 1039237308 /nfs/dbraw/zinc/23/73/08/1039237308.db2.gz SKTOHFDENXQTSD-OAHLLOKOSA-N 1 2 346.862 3.645 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[C@H](C)C3)cn2c1 ZINC000500709156 1039240886 /nfs/dbraw/zinc/24/08/86/1039240886.db2.gz AUEGLKRGEHRSEX-HOCLYGCPSA-N 1 2 345.512 3.818 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)cc1F ZINC000488526535 1039243379 /nfs/dbraw/zinc/24/33/79/1039243379.db2.gz XTKQTWLIJTXEFN-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)cc1F ZINC000488526535 1039243400 /nfs/dbraw/zinc/24/34/00/1039243400.db2.gz XTKQTWLIJTXEFN-GFCCVEGCSA-N 1 2 336.357 3.871 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000480218455 1039318922 /nfs/dbraw/zinc/31/89/22/1039318922.db2.gz VIUVTAUMWRJKRG-IAOVAPTHSA-N 1 2 339.430 3.588 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000480218455 1039318940 /nfs/dbraw/zinc/31/89/40/1039318940.db2.gz VIUVTAUMWRJKRG-IAOVAPTHSA-N 1 2 339.430 3.588 20 0 EHADLO ClC1(Cl)C[C@H]1c1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000906126752 1039325435 /nfs/dbraw/zinc/32/54/35/1039325435.db2.gz PCFIXUQUVLLBAV-LBPRGKRZSA-N 1 2 335.194 3.507 20 0 EHADLO CCCn1ccc2ccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cc21 ZINC000651419925 1039382067 /nfs/dbraw/zinc/38/20/67/1039382067.db2.gz RHDSDWIJTDQDBE-UHFFFAOYSA-N 1 2 336.439 3.765 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc2ncccc21 ZINC000584656177 1039401443 /nfs/dbraw/zinc/40/14/43/1039401443.db2.gz JWFVGWMFENJQFD-WKILWMFISA-N 1 2 346.434 3.783 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)n2)cc1 ZINC000485693352 1039413870 /nfs/dbraw/zinc/41/38/70/1039413870.db2.gz NDOQPJALLIMCKW-UHFFFAOYSA-N 1 2 345.805 3.963 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000044139135 1039446591 /nfs/dbraw/zinc/44/65/91/1039446591.db2.gz GMDFSJAEPDKXGD-SECBINFHSA-N 1 2 329.256 3.565 20 0 EHADLO CC(C)(C)c1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000549464651 1039494100 /nfs/dbraw/zinc/49/41/00/1039494100.db2.gz BILGXFVXOPUHFO-UHFFFAOYSA-N 1 2 325.460 3.772 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000906412973 1039549490 /nfs/dbraw/zinc/54/94/90/1039549490.db2.gz XIPZSLNZLXCQNV-ICSRJNTNSA-N 1 2 338.451 3.905 20 0 EHADLO CC(C)(C)c1ccc(C(F)(F)C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000898810603 1039557970 /nfs/dbraw/zinc/55/79/70/1039557970.db2.gz MPASXTPQRQVUQD-AWEZNQCLSA-N 1 2 333.382 3.534 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H](c3ccccc3)C3CC3)ccc2[nH+]1 ZINC000432864200 1039562679 /nfs/dbraw/zinc/56/26/79/1039562679.db2.gz DHUVPHNEIIOXTA-GOSISDBHSA-N 1 2 334.423 3.958 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCO[C@@H](C3CCCCC3)C2)oc1C ZINC000432866157 1039565062 /nfs/dbraw/zinc/56/50/62/1039565062.db2.gz NQXRGIARSGSOOH-FZKQIMNGSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCO[C@@H](C3CCCCC3)C2)oc1C ZINC000432866157 1039565081 /nfs/dbraw/zinc/56/50/81/1039565081.db2.gz NQXRGIARSGSOOH-FZKQIMNGSA-N 1 2 335.444 3.717 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)s1 ZINC000667682315 1039609310 /nfs/dbraw/zinc/60/93/10/1039609310.db2.gz HBDLMYZNSIHIIK-INIZCTEOSA-N 1 2 332.469 3.505 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)s1 ZINC000667682315 1039609318 /nfs/dbraw/zinc/60/93/18/1039609318.db2.gz HBDLMYZNSIHIIK-INIZCTEOSA-N 1 2 332.469 3.505 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)s1 ZINC000667682836 1039613810 /nfs/dbraw/zinc/61/38/10/1039613810.db2.gz YTKGXLQGMHEAKC-AWEZNQCLSA-N 1 2 334.485 3.751 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)s1 ZINC000667682836 1039613818 /nfs/dbraw/zinc/61/38/18/1039613818.db2.gz YTKGXLQGMHEAKC-AWEZNQCLSA-N 1 2 334.485 3.751 20 0 EHADLO CCCn1nccc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000667684272 1039619011 /nfs/dbraw/zinc/61/90/11/1039619011.db2.gz PZICUMOIVJJEGQ-UHFFFAOYSA-N 1 2 342.270 3.594 20 0 EHADLO CCCn1nccc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000667684272 1039619020 /nfs/dbraw/zinc/61/90/20/1039619020.db2.gz PZICUMOIVJJEGQ-UHFFFAOYSA-N 1 2 342.270 3.594 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC(CO)(Cc2ccccc2)CC1 ZINC000663847449 1039634879 /nfs/dbraw/zinc/63/48/79/1039634879.db2.gz TWOYXWNYWOIGQU-UHFFFAOYSA-N 1 2 347.462 3.639 20 0 EHADLO CCc1nnc([C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CCO2)o1 ZINC000448271962 1039638239 /nfs/dbraw/zinc/63/82/39/1039638239.db2.gz SVDNDFHWPWITBJ-LJQANCHMSA-N 1 2 349.434 3.873 20 0 EHADLO CCc1nnc([C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CCO2)o1 ZINC000448271962 1039638255 /nfs/dbraw/zinc/63/82/55/1039638255.db2.gz SVDNDFHWPWITBJ-LJQANCHMSA-N 1 2 349.434 3.873 20 0 EHADLO CCc1nnc([C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CCO2)o1 ZINC000448271961 1039638426 /nfs/dbraw/zinc/63/84/26/1039638426.db2.gz SVDNDFHWPWITBJ-IBGZPJMESA-N 1 2 349.434 3.873 20 0 EHADLO CCc1nnc([C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CCO2)o1 ZINC000448271961 1039638442 /nfs/dbraw/zinc/63/84/42/1039638442.db2.gz SVDNDFHWPWITBJ-IBGZPJMESA-N 1 2 349.434 3.873 20 0 EHADLO CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906605151 1039677122 /nfs/dbraw/zinc/67/71/22/1039677122.db2.gz HJODDJFNLBVELJ-OAHLLOKOSA-N 1 2 336.439 3.867 20 0 EHADLO CC(C)(CNC(=O)CCSc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000898893192 1039682673 /nfs/dbraw/zinc/68/26/73/1039682673.db2.gz CYRDVBXEDSDLHT-UHFFFAOYSA-N 1 2 337.876 3.570 20 0 EHADLO CC(C)(CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1)n1cc[nH+]c1 ZINC000898911400 1039701683 /nfs/dbraw/zinc/70/16/83/1039701683.db2.gz QNAKMEHZDMYSSU-UHFFFAOYSA-N 1 2 347.409 3.525 20 0 EHADLO CC(C)(CNC(=O)/C=C/c1csc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000898911438 1039702253 /nfs/dbraw/zinc/70/22/53/1039702253.db2.gz RVKKSLVMOLRMTG-ONEGZZNKSA-N 1 2 343.374 3.528 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000584760049 1039729612 /nfs/dbraw/zinc/72/96/12/1039729612.db2.gz JQPULVYSLCMEMD-GOEBONIOSA-N 1 2 342.487 3.701 20 0 EHADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000584760049 1039729627 /nfs/dbraw/zinc/72/96/27/1039729627.db2.gz JQPULVYSLCMEMD-GOEBONIOSA-N 1 2 342.487 3.701 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511623239 1039749891 /nfs/dbraw/zinc/74/98/91/1039749891.db2.gz NDJFIUGZRREIJV-KRXQYRFLSA-N 1 2 334.891 3.980 20 0 EHADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511623239 1039749911 /nfs/dbraw/zinc/74/99/11/1039749911.db2.gz NDJFIUGZRREIJV-KRXQYRFLSA-N 1 2 334.891 3.980 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103002 1039753363 /nfs/dbraw/zinc/75/33/63/1039753363.db2.gz PTHDBEVFBNYHCX-QFBILLFUSA-N 1 2 348.450 3.833 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103002 1039753378 /nfs/dbraw/zinc/75/33/78/1039753378.db2.gz PTHDBEVFBNYHCX-QFBILLFUSA-N 1 2 348.450 3.833 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 ZINC000906842238 1039775211 /nfs/dbraw/zinc/77/52/11/1039775211.db2.gz VQPGAIMUIPFHST-RTBURBONSA-N 1 2 337.467 3.957 20 0 EHADLO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906894262 1039815165 /nfs/dbraw/zinc/81/51/65/1039815165.db2.gz JNXDMFVRYALKKE-SFHVURJKSA-N 1 2 326.440 3.511 20 0 EHADLO COCC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1F ZINC000893911662 1039816980 /nfs/dbraw/zinc/81/69/80/1039816980.db2.gz QHDXCGGRDJPDGY-UHFFFAOYSA-N 1 2 339.432 3.553 20 0 EHADLO COCC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1F ZINC000893911662 1039817008 /nfs/dbraw/zinc/81/70/08/1039817008.db2.gz QHDXCGGRDJPDGY-UHFFFAOYSA-N 1 2 339.432 3.553 20 0 EHADLO CSc1ccc(C[N@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1 ZINC000644776768 1039822900 /nfs/dbraw/zinc/82/29/00/1039822900.db2.gz RIZQTMSWTZFTEC-GASCZTMLSA-N 1 2 334.529 3.876 20 0 EHADLO CSc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1 ZINC000644776768 1039822923 /nfs/dbraw/zinc/82/29/23/1039822923.db2.gz RIZQTMSWTZFTEC-GASCZTMLSA-N 1 2 334.529 3.876 20 0 EHADLO CSc1ccc(C[NH+]2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1 ZINC000644776771 1039823779 /nfs/dbraw/zinc/82/37/79/1039823779.db2.gz RIZQTMSWTZFTEC-GJZGRUSLSA-N 1 2 334.529 3.876 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)n2)cc1 ZINC000553226771 1039894715 /nfs/dbraw/zinc/89/47/15/1039894715.db2.gz BIMITFVKWWSIHH-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000119121344 1039909873 /nfs/dbraw/zinc/90/98/73/1039909873.db2.gz WHMFUVMPHIBAHH-UXLLHSPISA-N 1 2 341.455 3.601 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC000912486178 1039917372 /nfs/dbraw/zinc/91/73/72/1039917372.db2.gz YLBYTIRMNOWGAH-UHFFFAOYSA-N 1 2 349.434 3.662 20 0 EHADLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cnc(F)c(C)c3)n2)ccc1F ZINC000893980370 1039921274 /nfs/dbraw/zinc/92/12/74/1039921274.db2.gz RYYWLQATMNVLPB-LBPRGKRZSA-N 1 2 344.365 3.877 20 0 EHADLO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907208090 1039954284 /nfs/dbraw/zinc/95/42/84/1039954284.db2.gz VLESUYZBMUMYRV-KBXCAEBGSA-N 1 2 330.403 3.652 20 0 EHADLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000110298704 1039977071 /nfs/dbraw/zinc/97/70/71/1039977071.db2.gz BWYSIVPJIWGZMO-QGZVFWFLSA-N 1 2 340.442 3.582 20 0 EHADLO CCCCn1c(S[C@@H]2CCC[C@H]2OC)nnc1[C@H](CC)[NH+](C)C ZINC000554969394 1040012838 /nfs/dbraw/zinc/01/28/38/1040012838.db2.gz MNEJVLCLFTYNBW-RRFJBIMHSA-N 1 2 340.537 3.751 20 0 EHADLO CC[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)Oc1ccccc1C ZINC000554985980 1040017668 /nfs/dbraw/zinc/01/76/68/1040017668.db2.gz PMKBSKSQSHEJSO-INIZCTEOSA-N 1 2 338.411 3.622 20 0 EHADLO CCc1nc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc(C)[nH+]1 ZINC000553383469 1040035875 /nfs/dbraw/zinc/03/58/75/1040035875.db2.gz VXLLJUKALNTNOQ-OAHLLOKOSA-N 1 2 335.810 3.718 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cc(C)cc(Br)c2)c[nH+]1 ZINC000907506734 1040078022 /nfs/dbraw/zinc/07/80/22/1040078022.db2.gz MDHBCDJNOZVROU-UHFFFAOYSA-N 1 2 336.233 3.636 20 0 EHADLO CO[C@@H](C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)c1ccccc1 ZINC000555054830 1040111516 /nfs/dbraw/zinc/11/15/16/1040111516.db2.gz SMRSGGUISSSXJW-YJBOKZPZSA-N 1 2 337.423 3.699 20 0 EHADLO O=C(CC1CCCCC1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000152074622 1040131696 /nfs/dbraw/zinc/13/16/96/1040131696.db2.gz NXPAOVHAXBSCME-UHFFFAOYSA-N 1 2 334.426 3.834 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2cc(C)n(C)n2)c2ccc(C)cc2)cc1 ZINC000486457167 1040140627 /nfs/dbraw/zinc/14/06/27/1040140627.db2.gz FYEDQEJVWXUJDP-OAQYLSRUSA-N 1 2 335.451 3.925 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000417701894 1040175687 /nfs/dbraw/zinc/17/56/87/1040175687.db2.gz NHQXELUIACATFX-UHFFFAOYSA-N 1 2 344.405 3.831 20 0 EHADLO CN(C)C(=O)c1ccccc1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000417701894 1040175703 /nfs/dbraw/zinc/17/57/03/1040175703.db2.gz NHQXELUIACATFX-UHFFFAOYSA-N 1 2 344.405 3.831 20 0 EHADLO C[C@]1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C[C@H]2C[C@H]2C1 ZINC000907816137 1040183907 /nfs/dbraw/zinc/18/39/07/1040183907.db2.gz QXONUCTZUBBBHU-KGWSRGFLSA-N 1 2 341.499 3.867 20 0 EHADLO C[C@]1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C[C@H]2C[C@H]2C1 ZINC000907816137 1040183917 /nfs/dbraw/zinc/18/39/17/1040183917.db2.gz QXONUCTZUBBBHU-KGWSRGFLSA-N 1 2 341.499 3.867 20 0 EHADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C[C@H]2C[C@H]2C1 ZINC000907816138 1040185997 /nfs/dbraw/zinc/18/59/97/1040185997.db2.gz QXONUCTZUBBBHU-KQDGPHEJSA-N 1 2 341.499 3.867 20 0 EHADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C[C@H]2C[C@H]2C1 ZINC000907816138 1040186004 /nfs/dbraw/zinc/18/60/04/1040186004.db2.gz QXONUCTZUBBBHU-KQDGPHEJSA-N 1 2 341.499 3.867 20 0 EHADLO FC(F)Oc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccncn2)c1 ZINC000479390010 1040196325 /nfs/dbraw/zinc/19/63/25/1040196325.db2.gz IPNXSICDJKBRKP-SFHVURJKSA-N 1 2 341.361 3.957 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(Br)n2)n1-c1ccccc1 ZINC000189400031 1040231801 /nfs/dbraw/zinc/23/18/01/1040231801.db2.gz UEMHVDACZCOBDD-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCO1 ZINC000907935235 1040233889 /nfs/dbraw/zinc/23/38/89/1040233889.db2.gz QPFUXFGAVBYYPF-KBXCAEBGSA-N 1 2 339.439 3.640 20 0 EHADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000907958012 1040247833 /nfs/dbraw/zinc/24/78/33/1040247833.db2.gz DAVQVBFPMSXKFD-GOSISDBHSA-N 1 2 331.847 3.996 20 0 EHADLO Cc1nc(N[C@@H]2CCCC23CCOCC3)c(Br)c(C)[nH+]1 ZINC000663878157 1040267158 /nfs/dbraw/zinc/26/71/58/1040267158.db2.gz MVXXFUVLMSLBTO-GFCCVEGCSA-N 1 2 340.265 3.617 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066457 1040277451 /nfs/dbraw/zinc/27/74/51/1040277451.db2.gz PTLOBFPTIFHXPM-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000563066457 1040277463 /nfs/dbraw/zinc/27/74/63/1040277463.db2.gz PTLOBFPTIFHXPM-RDBSUJKOSA-N 1 2 337.464 3.554 20 0 EHADLO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000489987982 1040290259 /nfs/dbraw/zinc/29/02/59/1040290259.db2.gz FFLZAACRYBUQRI-HZMBPMFUSA-N 1 2 340.345 3.649 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2ccccc2n1 ZINC000490062272 1040330482 /nfs/dbraw/zinc/33/04/82/1040330482.db2.gz ZRBSMRUDTJSUNT-KRWDZBQOSA-N 1 2 329.831 3.807 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2ccccc2n1 ZINC000490062272 1040330496 /nfs/dbraw/zinc/33/04/96/1040330496.db2.gz ZRBSMRUDTJSUNT-KRWDZBQOSA-N 1 2 329.831 3.807 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000152137287 1040335172 /nfs/dbraw/zinc/33/51/72/1040335172.db2.gz FVFKGSNILPLCDQ-OXQOHEQNSA-N 1 2 349.434 3.512 20 0 EHADLO Cc1oc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C ZINC000614174095 1040351849 /nfs/dbraw/zinc/35/18/49/1040351849.db2.gz PQFKCXRCGXWZTO-UHFFFAOYSA-N 1 2 327.428 3.520 20 0 EHADLO OC1CCN(c2ccc([NH2+][C@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000894103459 1040381887 /nfs/dbraw/zinc/38/18/87/1040381887.db2.gz YCMFGUFFKCTJMC-SFHVURJKSA-N 1 2 344.499 3.942 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000894103459 1040381907 /nfs/dbraw/zinc/38/19/07/1040381907.db2.gz YCMFGUFFKCTJMC-SFHVURJKSA-N 1 2 344.499 3.942 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1Br)[C@H](CO)c1ccccc1 ZINC000479613524 1040432997 /nfs/dbraw/zinc/43/29/97/1040432997.db2.gz DVRFTCOFNLPKIM-MRXNPFEDSA-N 1 2 338.220 3.754 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1Br)[C@H](CO)c1ccccc1 ZINC000479613524 1040433002 /nfs/dbraw/zinc/43/30/02/1040433002.db2.gz DVRFTCOFNLPKIM-MRXNPFEDSA-N 1 2 338.220 3.754 20 0 EHADLO CCOC[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000500075274 1040434794 /nfs/dbraw/zinc/43/47/94/1040434794.db2.gz PCLLBXHUGMXMIA-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000500075274 1040434805 /nfs/dbraw/zinc/43/48/05/1040434805.db2.gz PCLLBXHUGMXMIA-LLVKDONJSA-N 1 2 348.231 3.976 20 0 EHADLO CSc1cccc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)c1 ZINC000663921294 1040440099 /nfs/dbraw/zinc/44/00/99/1040440099.db2.gz JPQAIIFSVMLJON-ZDUSSCGKSA-N 1 2 327.453 3.599 20 0 EHADLO COc1ccc2c(c1)C1(CC1)CN(c1[nH+]ccc3c(N)cccc31)C2 ZINC000663922942 1040470037 /nfs/dbraw/zinc/47/00/37/1040470037.db2.gz SDTNLYBOCYAIPY-UHFFFAOYSA-N 1 2 331.419 3.877 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@](=O)C1 ZINC000433034009 1040516722 /nfs/dbraw/zinc/51/67/22/1040516722.db2.gz XKNZTNNGFHFTPO-XMHCIUCPSA-N 1 2 337.485 3.755 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC[S@](=O)C1 ZINC000433034009 1040516737 /nfs/dbraw/zinc/51/67/37/1040516737.db2.gz XKNZTNNGFHFTPO-XMHCIUCPSA-N 1 2 337.485 3.755 20 0 EHADLO CC(C)Cc1coc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000899448606 1040524423 /nfs/dbraw/zinc/52/44/23/1040524423.db2.gz YVIWTFVJCYTFEB-INIZCTEOSA-N 1 2 338.411 3.757 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cnsc3)no2)cc1 ZINC000924149062 1040541454 /nfs/dbraw/zinc/54/14/54/1040541454.db2.gz PCXPHURIQMDNGQ-CQSZACIVSA-N 1 2 330.388 3.669 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cnsc3)no2)cc1 ZINC000924149062 1040541469 /nfs/dbraw/zinc/54/14/69/1040541469.db2.gz PCXPHURIQMDNGQ-CQSZACIVSA-N 1 2 330.388 3.669 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000418091438 1040567956 /nfs/dbraw/zinc/56/79/56/1040567956.db2.gz NHPSAWFLDYRRTR-UHFFFAOYSA-N 1 2 347.768 3.531 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000667856707 1040585480 /nfs/dbraw/zinc/58/54/80/1040585480.db2.gz SPWGTGGEWRQGSJ-OXQOHEQNSA-N 1 2 335.451 3.514 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000418125553 1040613720 /nfs/dbraw/zinc/61/37/20/1040613720.db2.gz NXFUKYVWJQOMJP-YNEHKIRRSA-N 1 2 329.893 3.610 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000418125553 1040613729 /nfs/dbraw/zinc/61/37/29/1040613729.db2.gz NXFUKYVWJQOMJP-YNEHKIRRSA-N 1 2 329.893 3.610 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@H]2COc2cccnc2C)s1 ZINC000418135608 1040629752 /nfs/dbraw/zinc/62/97/52/1040629752.db2.gz AXJWHPLAIYHHCJ-AWEZNQCLSA-N 1 2 349.525 3.753 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@H]2COc2cccnc2C)s1 ZINC000418135608 1040629765 /nfs/dbraw/zinc/62/97/65/1040629765.db2.gz AXJWHPLAIYHHCJ-AWEZNQCLSA-N 1 2 349.525 3.753 20 0 EHADLO Cn1cccc1C(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500168378 1040642263 /nfs/dbraw/zinc/64/22/63/1040642263.db2.gz SBBHGSDQZZRWAZ-UHFFFAOYSA-N 1 2 334.822 3.822 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000473473875 1040660743 /nfs/dbraw/zinc/66/07/43/1040660743.db2.gz TVNBEVSQTFANNL-IXDOHACOSA-N 1 2 344.503 3.648 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nccnc3C2)ccc1Oc1cccnc1 ZINC000668735844 1040701239 /nfs/dbraw/zinc/70/12/39/1040701239.db2.gz PNDRMLIJAUWOTR-UHFFFAOYSA-N 1 2 332.407 3.531 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nccnc3C2)ccc1Oc1cccnc1 ZINC000668735844 1040701255 /nfs/dbraw/zinc/70/12/55/1040701255.db2.gz PNDRMLIJAUWOTR-UHFFFAOYSA-N 1 2 332.407 3.531 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000669084301 1040712176 /nfs/dbraw/zinc/71/21/76/1040712176.db2.gz OCKFZQLYVZJIFS-QZTJIDSGSA-N 1 2 338.455 3.543 20 0 EHADLO O=C(/C=C\c1ccc(-c2ccccc2F)o1)NCCCn1cc[nH+]c1 ZINC000490764945 1040724061 /nfs/dbraw/zinc/72/40/61/1040724061.db2.gz XMCXBJPHCMKSAD-CLFYSBASSA-N 1 2 339.370 3.502 20 0 EHADLO Cc1cc(C)c(NC(=O)C(=O)NCC(C)(C)C2CCCCC2)c(C)[nH+]1 ZINC000411324751 1040751647 /nfs/dbraw/zinc/75/16/47/1040751647.db2.gz LTQVIQKBQOHIQI-UHFFFAOYSA-N 1 2 345.487 3.668 20 0 EHADLO Cc1ncc(C[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC000600172356 1040760977 /nfs/dbraw/zinc/76/09/77/1040760977.db2.gz AHIYENWIJAXXBY-DLBZAZTESA-N 1 2 328.412 3.643 20 0 EHADLO OC[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(F)cc1F ZINC000668754063 1040775048 /nfs/dbraw/zinc/77/50/48/1040775048.db2.gz JXNVBVWNTDUYJN-CYBMUJFWSA-N 1 2 337.313 3.868 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509794636 1040841426 /nfs/dbraw/zinc/84/14/26/1040841426.db2.gz LOZBZXMDHCJHNH-OKZBNKHCSA-N 1 2 344.503 3.564 20 0 EHADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CCCCC4)n2)C1 ZINC000500885988 1040871304 /nfs/dbraw/zinc/87/13/04/1040871304.db2.gz FHCHIOVQMXFROS-AWEZNQCLSA-N 1 2 347.484 3.849 20 0 EHADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4c(s3)CCCCC4)n2)C1 ZINC000500885988 1040871313 /nfs/dbraw/zinc/87/13/13/1040871313.db2.gz FHCHIOVQMXFROS-AWEZNQCLSA-N 1 2 347.484 3.849 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(SC(F)(F)F)c1 ZINC000899660242 1040933213 /nfs/dbraw/zinc/93/32/13/1040933213.db2.gz LMUADCVNGBHTCD-SNVBAGLBSA-N 1 2 343.374 3.832 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(SC(F)(F)F)c1 ZINC000899660242 1040933235 /nfs/dbraw/zinc/93/32/35/1040933235.db2.gz LMUADCVNGBHTCD-SNVBAGLBSA-N 1 2 343.374 3.832 20 0 EHADLO Cc1[nH+]c2cc(OCc3noc(C4CCCCC4)n3)ccc2n1C ZINC000664046443 1040984359 /nfs/dbraw/zinc/98/43/59/1040984359.db2.gz DYNRDHDZSSEYMQ-UHFFFAOYSA-N 1 2 326.400 3.891 20 0 EHADLO Cc1cc(OC(C)C)ccc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001211809581 1040985918 /nfs/dbraw/zinc/98/59/18/1040985918.db2.gz HKCZGFJSYFWHLR-UHFFFAOYSA-N 1 2 341.455 3.882 20 0 EHADLO CCCN(Cc1ccc(F)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586750164 1040995474 /nfs/dbraw/zinc/99/54/74/1040995474.db2.gz YVKAMTDHMKXVHN-UHFFFAOYSA-N 1 2 339.414 3.763 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC(C)(C)[C@@H]3c3ccccc3)[nH+]c12 ZINC000586754852 1040997622 /nfs/dbraw/zinc/99/76/22/1040997622.db2.gz GPBUUNVBMSXNLO-IBGZPJMESA-N 1 2 333.435 3.795 20 0 EHADLO COC(=O)N(C)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000123870171 1041004881 /nfs/dbraw/zinc/00/48/81/1041004881.db2.gz VPLBBMXPEUVPMC-UHFFFAOYSA-N 1 2 336.395 3.687 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1c1[nH+]ccc2c(N)cccc21 ZINC000664054888 1041006042 /nfs/dbraw/zinc/00/60/42/1041006042.db2.gz IPFRGVBIHNTAKZ-YJYMSZOUSA-N 1 2 337.398 3.923 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1nc2ccc(OC)cc2s1 ZINC000473480466 1041014092 /nfs/dbraw/zinc/01/40/92/1041014092.db2.gz FRAMOMSBHWVPNX-UHFFFAOYSA-N 1 2 338.436 3.709 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1CF)C(c1ccccc1)c1ccccc1 ZINC000555696394 1041020731 /nfs/dbraw/zinc/02/07/31/1041020731.db2.gz BJRVNFSRROLMTA-LJQANCHMSA-N 1 2 340.442 3.668 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@@H]1CF)C(c1ccccc1)c1ccccc1 ZINC000555696394 1041020741 /nfs/dbraw/zinc/02/07/41/1041020741.db2.gz BJRVNFSRROLMTA-LJQANCHMSA-N 1 2 340.442 3.668 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1CF)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000555697008 1041021390 /nfs/dbraw/zinc/02/13/90/1041021390.db2.gz JBLHNWBILICEMO-WOJBJXKFSA-N 1 2 340.442 3.521 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000555697008 1041021408 /nfs/dbraw/zinc/02/14/08/1041021408.db2.gz JBLHNWBILICEMO-WOJBJXKFSA-N 1 2 340.442 3.521 20 0 EHADLO Cc1nc(-c2ccsc2)ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000586839389 1041034991 /nfs/dbraw/zinc/03/49/91/1041034991.db2.gz ZAVRMARTAJOLFN-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419271797 1041036346 /nfs/dbraw/zinc/03/63/46/1041036346.db2.gz AEHYMXSJFFLNER-RDTXWAMCSA-N 1 2 344.455 3.661 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000512824447 1041039752 /nfs/dbraw/zinc/03/97/52/1041039752.db2.gz SHSLZOLACQITEV-NEPJUHHUSA-N 1 2 346.805 3.537 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000512824447 1041039764 /nfs/dbraw/zinc/03/97/64/1041039764.db2.gz SHSLZOLACQITEV-NEPJUHHUSA-N 1 2 346.805 3.537 20 0 EHADLO COc1ccc(C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C(C)(C)C)cc1 ZINC000433194975 1041040857 /nfs/dbraw/zinc/04/08/57/1041040857.db2.gz PMALNBFVOFECTN-UHFFFAOYSA-N 1 2 330.476 3.912 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C(C)(C)C)cc1 ZINC000433194975 1041040873 /nfs/dbraw/zinc/04/08/73/1041040873.db2.gz PMALNBFVOFECTN-UHFFFAOYSA-N 1 2 330.476 3.912 20 0 EHADLO O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487773135 1041104581 /nfs/dbraw/zinc/10/45/81/1041104581.db2.gz WSUUKMMLJNZFNP-MOPGFXCFSA-N 1 2 346.434 3.724 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000481595490 1041124518 /nfs/dbraw/zinc/12/45/18/1041124518.db2.gz OWHVGBKHGXCKBX-FHWLQOOXSA-N 1 2 347.499 3.510 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000419295540 1041135755 /nfs/dbraw/zinc/13/57/55/1041135755.db2.gz CRTDMWMJMGCKDI-CQSZACIVSA-N 1 2 335.423 3.901 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@H+]2Cc2nnc(C3CC3)s2)c1 ZINC000419295540 1041135766 /nfs/dbraw/zinc/13/57/66/1041135766.db2.gz CRTDMWMJMGCKDI-CQSZACIVSA-N 1 2 335.423 3.901 20 0 EHADLO CCC(CC)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000667925396 1041243648 /nfs/dbraw/zinc/24/36/48/1041243648.db2.gz WOIFLUHZGXTWOY-CQSZACIVSA-N 1 2 345.874 3.931 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364417407 1041250087 /nfs/dbraw/zinc/25/00/87/1041250087.db2.gz KLVJIEGMNXUHOX-AWEZNQCLSA-N 1 2 343.858 3.685 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)NCc1cccs1 ZINC000433314026 1041256418 /nfs/dbraw/zinc/25/64/18/1041256418.db2.gz SXAXXNKBSSGKET-CQSZACIVSA-N 1 2 334.872 3.507 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)NCc1cccs1 ZINC000433314026 1041256437 /nfs/dbraw/zinc/25/64/37/1041256437.db2.gz SXAXXNKBSSGKET-CQSZACIVSA-N 1 2 334.872 3.507 20 0 EHADLO C[N@@H+](Cc1ccc(-c2ccccc2)cc1F)C[C@H](O)C(F)(F)F ZINC000571329181 1041268378 /nfs/dbraw/zinc/26/83/78/1041268378.db2.gz XCOUGVJCAVQZSD-INIZCTEOSA-N 1 2 327.321 3.848 20 0 EHADLO C[N@H+](Cc1ccc(-c2ccccc2)cc1F)C[C@H](O)C(F)(F)F ZINC000571329181 1041268391 /nfs/dbraw/zinc/26/83/91/1041268391.db2.gz XCOUGVJCAVQZSD-INIZCTEOSA-N 1 2 327.321 3.848 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccc1F ZINC000481702977 1041273243 /nfs/dbraw/zinc/27/32/43/1041273243.db2.gz PXRAZCXDSOWONX-LJQANCHMSA-N 1 2 329.415 3.522 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252054504 1041283094 /nfs/dbraw/zinc/28/30/94/1041283094.db2.gz CNXFLQUNBDXNGB-BBRMVZONSA-N 1 2 325.441 3.622 20 0 EHADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252054504 1041283108 /nfs/dbraw/zinc/28/31/08/1041283108.db2.gz CNXFLQUNBDXNGB-BBRMVZONSA-N 1 2 325.441 3.622 20 0 EHADLO CC[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1c(C)nn(C)c1C ZINC000433334589 1041297383 /nfs/dbraw/zinc/29/73/83/1041297383.db2.gz HWYIKNSNUCNKDG-JTQLQIEISA-N 1 2 332.395 3.753 20 0 EHADLO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(-n2cccn2)c(F)c1 ZINC000645205570 1041301534 /nfs/dbraw/zinc/30/15/34/1041301534.db2.gz OJDHHJAVYATARG-ZDUSSCGKSA-N 1 2 340.402 3.729 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CCC[C@H](CC)C2)nc1-c1ccncc1 ZINC000126237542 1041321024 /nfs/dbraw/zinc/32/10/24/1041321024.db2.gz JQQBFHJEKBJTLM-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CCC[C@H](CC)C2)nc1-c1ccncc1 ZINC000126237542 1041321036 /nfs/dbraw/zinc/32/10/36/1041321036.db2.gz JQQBFHJEKBJTLM-HNNXBMFYSA-N 1 2 345.516 3.966 20 0 EHADLO CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1F ZINC000664074768 1041389793 /nfs/dbraw/zinc/38/97/93/1041389793.db2.gz NOBRMMDGRQAUKR-MRXNPFEDSA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1F ZINC000664074768 1041389804 /nfs/dbraw/zinc/38/98/04/1041389804.db2.gz NOBRMMDGRQAUKR-MRXNPFEDSA-N 1 2 344.434 3.530 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccccc2F)cn1 ZINC000513021757 1041393281 /nfs/dbraw/zinc/39/32/81/1041393281.db2.gz JGAMLWZBFFFSCV-LJQANCHMSA-N 1 2 327.378 3.920 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccccc2F)cn1 ZINC000513021757 1041393287 /nfs/dbraw/zinc/39/32/87/1041393287.db2.gz JGAMLWZBFFFSCV-LJQANCHMSA-N 1 2 327.378 3.920 20 0 EHADLO c1sc(C[N@@H+]2CCCC[C@H]2C2OCCO2)nc1-c1ccccc1 ZINC000092937052 1041578240 /nfs/dbraw/zinc/57/82/40/1041578240.db2.gz YGZZYYSMDUGTOK-INIZCTEOSA-N 1 2 330.453 3.538 20 0 EHADLO c1sc(C[N@H+]2CCCC[C@H]2C2OCCO2)nc1-c1ccccc1 ZINC000092937052 1041578244 /nfs/dbraw/zinc/57/82/44/1041578244.db2.gz YGZZYYSMDUGTOK-INIZCTEOSA-N 1 2 330.453 3.538 20 0 EHADLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111476753 1041656652 /nfs/dbraw/zinc/65/66/52/1041656652.db2.gz FVBKMFQXIQMOFY-FOIQADDNSA-N 1 2 346.434 3.605 20 0 EHADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000364916115 1041681929 /nfs/dbraw/zinc/68/19/29/1041681929.db2.gz LMSHRAGDBMTXBX-ALKREAHSSA-N 1 2 327.428 3.678 20 0 EHADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000364916115 1041681935 /nfs/dbraw/zinc/68/19/35/1041681935.db2.gz LMSHRAGDBMTXBX-ALKREAHSSA-N 1 2 327.428 3.678 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000660740955 1041799196 /nfs/dbraw/zinc/79/91/96/1041799196.db2.gz NCMTUDZGVUAULS-GOSISDBHSA-N 1 2 335.455 3.751 20 0 EHADLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000660740955 1041799205 /nfs/dbraw/zinc/79/92/05/1041799205.db2.gz NCMTUDZGVUAULS-GOSISDBHSA-N 1 2 335.455 3.751 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)[C@@H](C)C[N@@H+]1C ZINC000651632328 1041814314 /nfs/dbraw/zinc/81/43/14/1041814314.db2.gz KLZHKGJSYMSIHG-NEPJUHHUSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@@H]1CN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)[C@@H](C)C[N@H+]1C ZINC000651632328 1041814321 /nfs/dbraw/zinc/81/43/21/1041814321.db2.gz KLZHKGJSYMSIHG-NEPJUHHUSA-N 1 2 349.887 3.628 20 0 EHADLO CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000660926195 1041875615 /nfs/dbraw/zinc/87/56/15/1041875615.db2.gz JSCAFGBMINFTQB-ZDUSSCGKSA-N 1 2 336.426 3.565 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)cs1 ZINC000651702198 1041939835 /nfs/dbraw/zinc/93/98/35/1041939835.db2.gz MGQFFDWXNZPAFR-UHFFFAOYSA-N 1 2 326.469 3.798 20 0 EHADLO Fc1cccc(Cc2noc(C[NH+]3CCC(c4ccco4)CC3)n2)c1 ZINC000661161717 1041976250 /nfs/dbraw/zinc/97/62/50/1041976250.db2.gz WOCHJJPLXFRNSS-UHFFFAOYSA-N 1 2 341.386 3.772 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000661162439 1041977483 /nfs/dbraw/zinc/97/74/83/1041977483.db2.gz CHMUPIOOJGYLPK-UHFFFAOYSA-N 1 2 348.830 3.760 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c[nH+]1 ZINC000661292814 1042052571 /nfs/dbraw/zinc/05/25/71/1042052571.db2.gz SGCWTASXWOTDIN-GOSISDBHSA-N 1 2 336.439 3.530 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+]3CCc4ccc(C)cc4C3)o2)cc1 ZINC000661374564 1042087494 /nfs/dbraw/zinc/08/74/94/1042087494.db2.gz BLIDLTSVRUYSAT-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+]3CCc4ccc(C)cc4C3)o2)cc1 ZINC000661374564 1042087502 /nfs/dbraw/zinc/08/75/02/1042087502.db2.gz BLIDLTSVRUYSAT-UHFFFAOYSA-N 1 2 335.407 3.612 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC000661463024 1042135328 /nfs/dbraw/zinc/13/53/28/1042135328.db2.gz MEPKFVDJXZYNIC-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC000661463024 1042135332 /nfs/dbraw/zinc/13/53/32/1042135332.db2.gz MEPKFVDJXZYNIC-KRWDZBQOSA-N 1 2 338.451 3.804 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513448 1042160116 /nfs/dbraw/zinc/16/01/16/1042160116.db2.gz KLGYPYODMFDQRC-LJQANCHMSA-N 1 2 326.415 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513448 1042160120 /nfs/dbraw/zinc/16/01/20/1042160120.db2.gz KLGYPYODMFDQRC-LJQANCHMSA-N 1 2 326.415 3.621 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511810 1042165007 /nfs/dbraw/zinc/16/50/07/1042165007.db2.gz MVTRKGUATWMIDI-DYVFJYSZSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511810 1042165009 /nfs/dbraw/zinc/16/50/09/1042165009.db2.gz MVTRKGUATWMIDI-DYVFJYSZSA-N 1 2 344.455 3.607 20 0 EHADLO CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534476 1042172402 /nfs/dbraw/zinc/17/24/02/1042172402.db2.gz DCDXJWCPLICVPP-OLZOCXBDSA-N 1 2 331.382 3.693 20 0 EHADLO CO[C@H](CC(C)C)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534476 1042172398 /nfs/dbraw/zinc/17/23/98/1042172398.db2.gz DCDXJWCPLICVPP-OLZOCXBDSA-N 1 2 331.382 3.693 20 0 EHADLO Cc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000661546977 1042184367 /nfs/dbraw/zinc/18/43/67/1042184367.db2.gz PUKJMVQOTPAUAA-CHWSQXEVSA-N 1 2 343.858 3.762 20 0 EHADLO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC1=CCCOC1 ZINC000661652700 1042234788 /nfs/dbraw/zinc/23/47/88/1042234788.db2.gz BBTYOJUNIKVDKP-UHFFFAOYSA-N 1 2 336.407 3.867 20 0 EHADLO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC1=CCCOC1 ZINC000661652700 1042234794 /nfs/dbraw/zinc/23/47/94/1042234794.db2.gz BBTYOJUNIKVDKP-UHFFFAOYSA-N 1 2 336.407 3.867 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000661738717 1042293808 /nfs/dbraw/zinc/29/38/08/1042293808.db2.gz URFDDDSEKGTMKE-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cc(C)ccc1C)C2 ZINC000661738717 1042293812 /nfs/dbraw/zinc/29/38/12/1042293812.db2.gz URFDDDSEKGTMKE-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO c1cc(-c2nc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)no2)cs1 ZINC000661869999 1042373851 /nfs/dbraw/zinc/37/38/51/1042373851.db2.gz ATPXHUYVHIEEDC-HNNXBMFYSA-N 1 2 333.457 3.579 20 0 EHADLO Fc1ccc(-c2nc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)co2)cc1 ZINC000661998577 1042455647 /nfs/dbraw/zinc/45/56/47/1042455647.db2.gz YLBWDUMQTOXPRY-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Fc1ccc(-c2nc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)co2)cc1 ZINC000661998577 1042455651 /nfs/dbraw/zinc/45/56/51/1042455651.db2.gz YLBWDUMQTOXPRY-UHFFFAOYSA-N 1 2 342.414 3.872 20 0 EHADLO Cc1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c2ccccc12 ZINC000652440049 1042480237 /nfs/dbraw/zinc/48/02/37/1042480237.db2.gz PZUKRXUTSPGRQL-UHFFFAOYSA-N 1 2 333.435 3.540 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC(C)(C)C2)c(C)c1 ZINC000662121533 1042533958 /nfs/dbraw/zinc/53/39/58/1042533958.db2.gz MOXALJXPMCMFEO-GOSISDBHSA-N 1 2 340.471 3.729 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043121646 1042592712 /nfs/dbraw/zinc/59/27/12/1042592712.db2.gz TWEUFTRFZNZQBB-UHFFFAOYSA-N 1 2 329.469 3.715 20 0 EHADLO c1coc(-c2noc(C[NH+]3CCC4(C=Cc5ccccc5O4)CC3)n2)c1 ZINC000662212175 1042605701 /nfs/dbraw/zinc/60/57/01/1042605701.db2.gz KBFVNDXVMWAXRW-UHFFFAOYSA-N 1 2 349.390 3.770 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000662214931 1042608724 /nfs/dbraw/zinc/60/87/24/1042608724.db2.gz PYMHOTZCRYBYJK-UHFFFAOYSA-N 1 2 325.412 3.633 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000601905304 1042643184 /nfs/dbraw/zinc/64/31/84/1042643184.db2.gz PFIXJLHJOIMROE-HKUYNNGSSA-N 1 2 340.471 3.935 20 0 EHADLO CC(C)CCn1cccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000187656193 1042659829 /nfs/dbraw/zinc/65/98/29/1042659829.db2.gz GTQLVSADXKKHBV-UHFFFAOYSA-N 1 2 330.394 3.878 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cs1 ZINC000165208310 1042670650 /nfs/dbraw/zinc/67/06/50/1042670650.db2.gz RGNYIKIHPLEKFS-NEPJUHHUSA-N 1 2 333.457 3.660 20 0 EHADLO O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161748284 1042683404 /nfs/dbraw/zinc/68/34/04/1042683404.db2.gz QJRHCQZWGNFNLJ-YJBOKZPZSA-N 1 2 343.858 3.757 20 0 EHADLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000662381959 1042697357 /nfs/dbraw/zinc/69/73/57/1042697357.db2.gz LAVOUDDMALZIHG-UHFFFAOYSA-N 1 2 332.753 3.782 20 0 EHADLO CC12CC(C1)C[N@H+]2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000662381959 1042697359 /nfs/dbraw/zinc/69/73/59/1042697359.db2.gz LAVOUDDMALZIHG-UHFFFAOYSA-N 1 2 332.753 3.782 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCc1c(F)cccc1F ZINC001167799453 1042701528 /nfs/dbraw/zinc/70/15/28/1042701528.db2.gz ZTXYTHRTORDIHS-GOSISDBHSA-N 1 2 333.378 3.744 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCc1c(F)cccc1F ZINC001167799453 1042701534 /nfs/dbraw/zinc/70/15/34/1042701534.db2.gz ZTXYTHRTORDIHS-GOSISDBHSA-N 1 2 333.378 3.744 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000278867307 1042764099 /nfs/dbraw/zinc/76/40/99/1042764099.db2.gz YHYDDDRDTQRMKO-MNOVXSKESA-N 1 2 331.445 3.886 20 0 EHADLO Cc1cccc(Cl)c1C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC001167804245 1042806996 /nfs/dbraw/zinc/80/69/96/1042806996.db2.gz MZEGLWRBEXRUQY-UHFFFAOYSA-N 1 2 330.859 3.672 20 0 EHADLO Cc1cccc(Cl)c1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001167804245 1042807003 /nfs/dbraw/zinc/80/70/03/1042807003.db2.gz MZEGLWRBEXRUQY-UHFFFAOYSA-N 1 2 330.859 3.672 20 0 EHADLO Cc1nonc1C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278878567 1042813918 /nfs/dbraw/zinc/81/39/18/1042813918.db2.gz OZFVGHWTCXYLBN-UHFFFAOYSA-N 1 2 349.434 3.529 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH+]ccn4c3)s2)o1 ZINC000603785333 1042844635 /nfs/dbraw/zinc/84/46/35/1042844635.db2.gz KKIZKXBRRWNVNM-UHFFFAOYSA-N 1 2 338.392 3.920 20 0 EHADLO CCC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000043712070 1042872970 /nfs/dbraw/zinc/87/29/70/1042872970.db2.gz DZGFPXDKJFQDRC-KRWDZBQOSA-N 1 2 326.444 3.724 20 0 EHADLO Cc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1F ZINC000278919787 1042950513 /nfs/dbraw/zinc/95/05/13/1042950513.db2.gz IHIYJLFXORLPLB-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO Cc1ccccc1N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000006996807 1043015081 /nfs/dbraw/zinc/01/50/81/1043015081.db2.gz BKJQPOMBTTZMAH-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)[nH+]1 ZINC000007048811 1043019140 /nfs/dbraw/zinc/01/91/40/1043019140.db2.gz SGFUSIKVUORJDA-LBPRGKRZSA-N 1 2 338.436 3.640 20 0 EHADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000066985768 1043024418 /nfs/dbraw/zinc/02/44/18/1043024418.db2.gz WSYMALJYZBWEGD-FQEVSTJZSA-N 1 2 346.434 3.701 20 0 EHADLO Cc1nc(NCc2cc(C(C)C)no2)c(Br)c(C)[nH+]1 ZINC000663609647 1043047845 /nfs/dbraw/zinc/04/78/45/1043047845.db2.gz WZLLOSODCRBDQK-UHFFFAOYSA-N 1 2 325.210 3.579 20 0 EHADLO Cc1cccc2ncc(C[NH2+][C@H](COCC(C)C)c3ccco3)n21 ZINC000343986396 1043062112 /nfs/dbraw/zinc/06/21/12/1043062112.db2.gz OLBGIQGFWMWAEP-QGZVFWFLSA-N 1 2 327.428 3.739 20 0 EHADLO O=C(CC1=CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278946685 1043067841 /nfs/dbraw/zinc/06/78/41/1043067841.db2.gz LVWLAYFGLAHEOO-UHFFFAOYSA-N 1 2 327.472 3.816 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1sccc1Br ZINC000049637166 1043078579 /nfs/dbraw/zinc/07/85/79/1043078579.db2.gz OGDZNIYGFVYHPA-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125964 1043301787 /nfs/dbraw/zinc/30/17/87/1043301787.db2.gz WJWCLDBLNCOVHP-DZGCQCFKSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344125964 1043301790 /nfs/dbraw/zinc/30/17/90/1043301790.db2.gz WJWCLDBLNCOVHP-DZGCQCFKSA-N 1 2 328.460 3.748 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)c1cncnc1)CCO2 ZINC000344134082 1043307649 /nfs/dbraw/zinc/30/76/49/1043307649.db2.gz ODJPVIZSYYVPQP-PZJWPPBQSA-N 1 2 347.418 3.688 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC2(CCOCC2)O1 ZINC000279076956 1043318619 /nfs/dbraw/zinc/31/86/19/1043318619.db2.gz LDGPNGSPMBVZMA-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC2(CCOCC2)O1 ZINC000279076956 1043318632 /nfs/dbraw/zinc/31/86/32/1043318632.db2.gz LDGPNGSPMBVZMA-LBPRGKRZSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)(C)[C@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000344172375 1043361753 /nfs/dbraw/zinc/36/17/53/1043361753.db2.gz UKOKRUDIBGAOML-ZDUSSCGKSA-N 1 2 344.484 3.658 20 0 EHADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000344172375 1043361762 /nfs/dbraw/zinc/36/17/62/1043361762.db2.gz UKOKRUDIBGAOML-ZDUSSCGKSA-N 1 2 344.484 3.658 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000344198352 1043411433 /nfs/dbraw/zinc/41/14/33/1043411433.db2.gz OHHDHOHYJBWCEJ-SFHVURJKSA-N 1 2 337.810 3.943 20 0 EHADLO CCc1nc(C)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000432525735 1043764230 /nfs/dbraw/zinc/76/42/30/1043764230.db2.gz IQJFKAFZGXABKR-UHFFFAOYSA-N 1 2 341.440 3.521 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000162754285 1043767252 /nfs/dbraw/zinc/76/72/52/1043767252.db2.gz DDRVPOZDWWVPAP-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637380761 1043902026 /nfs/dbraw/zinc/90/20/26/1043902026.db2.gz XYNYJEGNJSDZCX-MSOLQXFVSA-N 1 2 340.471 3.710 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344422862 1043992514 /nfs/dbraw/zinc/99/25/14/1043992514.db2.gz LVXAJTZRIXMQKQ-UHFFFAOYSA-N 1 2 337.810 3.945 20 0 EHADLO CC1(c2ccc(Cl)cc2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000279421358 1044067796 /nfs/dbraw/zinc/06/77/96/1044067796.db2.gz NCYZPIHZXYNLRI-UHFFFAOYSA-N 1 2 331.847 3.507 20 0 EHADLO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425984 1044074641 /nfs/dbraw/zinc/07/46/41/1044074641.db2.gz XJQVMGSGLWLHHJ-PIGZYNQJSA-N 1 2 335.473 3.576 20 0 EHADLO CO[C@]1(C)CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425984 1044074652 /nfs/dbraw/zinc/07/46/52/1044074652.db2.gz XJQVMGSGLWLHHJ-PIGZYNQJSA-N 1 2 335.473 3.576 20 0 EHADLO CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(N)[nH+]c3)ccc21 ZINC000279484963 1044123936 /nfs/dbraw/zinc/12/39/36/1044123936.db2.gz XOCWNAJZJWMFCF-UHFFFAOYSA-N 1 2 337.427 3.596 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000344702095 1044307956 /nfs/dbraw/zinc/30/79/56/1044307956.db2.gz JDOQATLQNAAPRD-ZDUSSCGKSA-N 1 2 345.443 3.907 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000021821792 1044329387 /nfs/dbraw/zinc/32/93/87/1044329387.db2.gz JLJRZCBWVXXJLO-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000021821792 1044329401 /nfs/dbraw/zinc/32/94/01/1044329401.db2.gz JLJRZCBWVXXJLO-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO c1[nH+]c(SCCCc2nc(-c3ccncc3)no2)n2ccccc12 ZINC000344754683 1044381872 /nfs/dbraw/zinc/38/18/72/1044381872.db2.gz PEGYOOZKPVMCDN-UHFFFAOYSA-N 1 2 337.408 3.504 20 0 EHADLO CN(C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000512315264 1044626176 /nfs/dbraw/zinc/62/61/76/1044626176.db2.gz JDJOIDZVFUHFGD-IBGZPJMESA-N 1 2 346.833 3.779 20 0 EHADLO Clc1cccc([C@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)c1 ZINC000344880399 1044644797 /nfs/dbraw/zinc/64/47/97/1044644797.db2.gz ABNFJEYKGDQOQC-QGZVFWFLSA-N 1 2 327.815 3.790 20 0 EHADLO Clc1cccc([C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)c1 ZINC000344880399 1044644805 /nfs/dbraw/zinc/64/48/05/1044644805.db2.gz ABNFJEYKGDQOQC-QGZVFWFLSA-N 1 2 327.815 3.790 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279804576 1044675973 /nfs/dbraw/zinc/67/59/73/1044675973.db2.gz FCYJPNDYXMCYLD-LPHOPBHVSA-N 1 2 325.456 3.764 20 0 EHADLO Brc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)nc1 ZINC000344956657 1044737064 /nfs/dbraw/zinc/73/70/64/1044737064.db2.gz QMZRDIQERNIBKH-UHFFFAOYSA-N 1 2 344.212 3.789 20 0 EHADLO COC(=O)[C@H](c1ccc(Br)s1)[N@H+](C)CC1CCCC1 ZINC001197086730 1135643920 /nfs/dbraw/zinc/64/39/20/1135643920.db2.gz KUSSBGXJDYJWSV-ZDUSSCGKSA-N 1 2 346.290 3.847 20 0 EHADLO COC(=O)[C@H](c1ccc(Br)s1)[N@@H+](C)CC1CCCC1 ZINC001197086730 1135643923 /nfs/dbraw/zinc/64/39/23/1135643923.db2.gz KUSSBGXJDYJWSV-ZDUSSCGKSA-N 1 2 346.290 3.847 20 0 EHADLO C[N@H+](Cc1ccc(Cl)c(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814180437 1136409793 /nfs/dbraw/zinc/40/97/93/1136409793.db2.gz OJAGPHIHWXNWAD-GFCCVEGCSA-N 1 2 346.652 3.628 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)c(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814180437 1136409796 /nfs/dbraw/zinc/40/97/96/1136409796.db2.gz OJAGPHIHWXNWAD-GFCCVEGCSA-N 1 2 346.652 3.628 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000620409684 1125566708 /nfs/dbraw/zinc/56/67/08/1125566708.db2.gz KFSNUNCEOQMWBI-LBPRGKRZSA-N 1 2 325.334 3.560 20 0 EHADLO O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000153731270 1125654429 /nfs/dbraw/zinc/65/44/29/1125654429.db2.gz ZUQMRMIPFFTYPI-UHFFFAOYSA-N 1 2 334.354 3.674 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000153805692 1125663158 /nfs/dbraw/zinc/66/31/58/1125663158.db2.gz YIVUXVMABUMGAM-QGZVFWFLSA-N 1 2 343.471 3.536 20 0 EHADLO CC[N@H+](CCc1ccccc1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000154085977 1125691660 /nfs/dbraw/zinc/69/16/60/1125691660.db2.gz QECPQYCMDVLNBE-UHFFFAOYSA-N 1 2 326.440 3.581 20 0 EHADLO CC[N@@H+](CCc1ccccc1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000154085977 1125691664 /nfs/dbraw/zinc/69/16/64/1125691664.db2.gz QECPQYCMDVLNBE-UHFFFAOYSA-N 1 2 326.440 3.581 20 0 EHADLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cnc21 ZINC000154814357 1125757601 /nfs/dbraw/zinc/75/76/01/1125757601.db2.gz MVWNQBFOGRYDNV-IBGZPJMESA-N 1 2 336.439 3.586 20 0 EHADLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@H](c4ccccc4)C3)cnc21 ZINC000154814357 1125757609 /nfs/dbraw/zinc/75/76/09/1125757609.db2.gz MVWNQBFOGRYDNV-IBGZPJMESA-N 1 2 336.439 3.586 20 0 EHADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000155037286 1125777863 /nfs/dbraw/zinc/77/78/63/1125777863.db2.gz WJHIZBYMJKXFBQ-KRWDZBQOSA-N 1 2 343.471 3.631 20 0 EHADLO CC(C)[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(Cl)cc1F ZINC000622500144 1126708324 /nfs/dbraw/zinc/70/83/24/1126708324.db2.gz OKSBIAXGIVHYGD-INIZCTEOSA-N 1 2 326.843 3.634 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000622565139 1126719261 /nfs/dbraw/zinc/71/92/61/1126719261.db2.gz JJQMBLQOUYEFAS-RTBURBONSA-N 1 2 340.854 3.576 20 0 EHADLO CC[N@H+](CC(=O)N1Cc2cccc(F)c2C1)Cc1ccccc1Cl ZINC000622693880 1126743759 /nfs/dbraw/zinc/74/37/59/1126743759.db2.gz ZCXHOBYXBGPLPG-UHFFFAOYSA-N 1 2 346.833 3.843 20 0 EHADLO CC[N@@H+](CC(=O)N1Cc2cccc(F)c2C1)Cc1ccccc1Cl ZINC000622693880 1126743763 /nfs/dbraw/zinc/74/37/63/1126743763.db2.gz ZCXHOBYXBGPLPG-UHFFFAOYSA-N 1 2 346.833 3.843 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1Br ZINC001238077954 1126767789 /nfs/dbraw/zinc/76/77/89/1126767789.db2.gz KVIUEDQGRWDFRO-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1Br ZINC001238077954 1126767793 /nfs/dbraw/zinc/76/77/93/1126767793.db2.gz KVIUEDQGRWDFRO-OAHLLOKOSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2cn3cccnc3n2)c2ccccc2)cc1 ZINC000171941198 1126771034 /nfs/dbraw/zinc/77/10/34/1126771034.db2.gz QGGYELLOXBKSRV-LJQANCHMSA-N 1 2 332.382 3.748 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000172420743 1126793411 /nfs/dbraw/zinc/79/34/11/1126793411.db2.gz KDIRDNJAADSCEZ-INIZCTEOSA-N 1 2 330.453 3.726 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000172420743 1126793415 /nfs/dbraw/zinc/79/34/15/1126793415.db2.gz KDIRDNJAADSCEZ-INIZCTEOSA-N 1 2 330.453 3.726 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)o1 ZINC000174478446 1126853665 /nfs/dbraw/zinc/85/36/65/1126853665.db2.gz YVJWVBDZRIYZMH-SCLBCKFNSA-N 1 2 345.439 3.651 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000623121676 1126880164 /nfs/dbraw/zinc/88/01/64/1126880164.db2.gz BSNHRQCSVSJCDU-LLVKDONJSA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000623121676 1126880169 /nfs/dbraw/zinc/88/01/69/1126880169.db2.gz BSNHRQCSVSJCDU-LLVKDONJSA-N 1 2 336.785 3.792 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000623120562 1126880566 /nfs/dbraw/zinc/88/05/66/1126880566.db2.gz BDYGQGVKZMSWBC-MRXNPFEDSA-N 1 2 328.378 3.528 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000623120562 1126880570 /nfs/dbraw/zinc/88/05/70/1126880570.db2.gz BDYGQGVKZMSWBC-MRXNPFEDSA-N 1 2 328.378 3.528 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000623121494 1126881203 /nfs/dbraw/zinc/88/12/03/1126881203.db2.gz YYNYCNPUEFPDHO-INIZCTEOSA-N 1 2 344.421 3.817 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000623121494 1126881206 /nfs/dbraw/zinc/88/12/06/1126881206.db2.gz YYNYCNPUEFPDHO-INIZCTEOSA-N 1 2 344.421 3.817 20 0 EHADLO Cc1ccc(CN(Cc2ccco2)C(=O)CCCn2cc[nH+]c2)s1 ZINC000623284745 1126910001 /nfs/dbraw/zinc/91/00/01/1126910001.db2.gz GTBIECUKKLMKBD-UHFFFAOYSA-N 1 2 343.452 3.855 20 0 EHADLO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297460 1126910713 /nfs/dbraw/zinc/91/07/13/1126910713.db2.gz FOOILZFRNVYIPB-LJQANCHMSA-N 1 2 345.446 3.536 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+]Cc1ncc(Br)cc1F ZINC000623339290 1126920455 /nfs/dbraw/zinc/92/04/55/1126920455.db2.gz RTNQWFIOJIRORT-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)cc(Cl)n1 ZINC000185576476 1126943915 /nfs/dbraw/zinc/94/39/15/1126943915.db2.gz PXQRTRDNXDRXLH-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2nnc(C)o2)C(C)C)cc1OCC ZINC000192961870 1126950821 /nfs/dbraw/zinc/95/08/21/1126950821.db2.gz AIIUEUWHMPLBFO-GOSISDBHSA-N 1 2 333.432 3.662 20 0 EHADLO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Br)cc(F)c1O ZINC000185679249 1126981639 /nfs/dbraw/zinc/98/16/39/1126981639.db2.gz LKEYNXVDMBHQIJ-XPTSAGLGSA-N 1 2 332.213 3.514 20 0 EHADLO Fc1cc(Br)cnc1CNc1c[nH+]cc2c1CCCC2 ZINC000623562360 1126986569 /nfs/dbraw/zinc/98/65/69/1126986569.db2.gz PGNDASWFQXWYQM-UHFFFAOYSA-N 1 2 336.208 3.869 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000623667475 1127009941 /nfs/dbraw/zinc/00/99/41/1127009941.db2.gz DTLMAUHYZVFYAQ-UHFFFAOYSA-N 1 2 337.414 3.514 20 0 EHADLO CC(C)OCc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178189185 1127012248 /nfs/dbraw/zinc/01/22/48/1127012248.db2.gz WLFPGBCDGPBFNZ-UHFFFAOYSA-N 1 2 338.411 3.581 20 0 EHADLO O=C(CCSc1ccc(Cl)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178359430 1127015737 /nfs/dbraw/zinc/01/57/37/1127015737.db2.gz WFVAJSYUCOZBLY-UHFFFAOYSA-N 1 2 345.855 3.786 20 0 EHADLO C[C@H](CCC1CCCC1)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000349422430 1127039868 /nfs/dbraw/zinc/03/98/68/1127039868.db2.gz JGIWHNKEWNWRHJ-OAHLLOKOSA-N 1 2 328.460 3.832 20 0 EHADLO Cc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1Cl ZINC000179004634 1127042080 /nfs/dbraw/zinc/04/20/80/1127042080.db2.gz FNIDJGPMLRTLCR-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO CO[C@H]1CCC[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349668169 1127046350 /nfs/dbraw/zinc/04/63/50/1127046350.db2.gz KPVCCNRMDWVUGU-SJORKVTESA-N 1 2 338.411 3.654 20 0 EHADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1 ZINC000179525239 1127069146 /nfs/dbraw/zinc/06/91/46/1127069146.db2.gz FWXXTQWMCFWNDO-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(OC(F)F)cc1 ZINC000179604528 1127074724 /nfs/dbraw/zinc/07/47/24/1127074724.db2.gz AZZDOQXJKXSKFB-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)c(C)c1 ZINC000179906710 1127099109 /nfs/dbraw/zinc/09/91/09/1127099109.db2.gz ISBBWWMOZFTSKV-AWEZNQCLSA-N 1 2 330.403 3.740 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000179917517 1127099926 /nfs/dbraw/zinc/09/99/26/1127099926.db2.gz POPNDKUSNAGEFM-MYYSRTQBSA-N 1 2 343.496 3.982 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)oc1C ZINC000179988361 1127107152 /nfs/dbraw/zinc/10/71/52/1127107152.db2.gz WQEKRHMLEIQQTR-UHFFFAOYSA-N 1 2 335.350 3.822 20 0 EHADLO Oc1ccc(C[N@H+](Cc2ccco2)Cc2cccc3nccn32)cc1 ZINC000180029992 1127111454 /nfs/dbraw/zinc/11/14/54/1127111454.db2.gz KCQAMZMBXMLUDJ-UHFFFAOYSA-N 1 2 333.391 3.835 20 0 EHADLO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cccc3nccn32)cc1 ZINC000180029992 1127111458 /nfs/dbraw/zinc/11/14/58/1127111458.db2.gz KCQAMZMBXMLUDJ-UHFFFAOYSA-N 1 2 333.391 3.835 20 0 EHADLO CCOc1cccc2[nH]cc(Cc3noc(C[N@H+](CC)C4CC4)n3)c21 ZINC000350996934 1127128705 /nfs/dbraw/zinc/12/87/05/1127128705.db2.gz PKJOEDWZZYENDY-UHFFFAOYSA-N 1 2 340.427 3.525 20 0 EHADLO CCOc1cccc2[nH]cc(Cc3noc(C[N@@H+](CC)C4CC4)n3)c21 ZINC000350996934 1127128709 /nfs/dbraw/zinc/12/87/09/1127128709.db2.gz PKJOEDWZZYENDY-UHFFFAOYSA-N 1 2 340.427 3.525 20 0 EHADLO CC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000180589221 1127175278 /nfs/dbraw/zinc/17/52/78/1127175278.db2.gz FPIXVLPSGQGONM-UHFFFAOYSA-N 1 2 339.782 3.981 20 0 EHADLO Cc1cc(C2([NH2+]Cc3ncc(C(C)(C)C)s3)CCOCC2)on1 ZINC000623811978 1127184300 /nfs/dbraw/zinc/18/43/00/1127184300.db2.gz ATVIBLVPPKVAOT-UHFFFAOYSA-N 1 2 335.473 3.533 20 0 EHADLO COc1cc(C[N@H+](C)CN2CC3(CCCC3)CC2=O)ccc1SC ZINC000083108599 1127196742 /nfs/dbraw/zinc/19/67/42/1127196742.db2.gz DAXGTEQRHFTQNL-UHFFFAOYSA-N 1 2 348.512 3.599 20 0 EHADLO COc1cc(C[N@@H+](C)CN2CC3(CCCC3)CC2=O)ccc1SC ZINC000083108599 1127196745 /nfs/dbraw/zinc/19/67/45/1127196745.db2.gz DAXGTEQRHFTQNL-UHFFFAOYSA-N 1 2 348.512 3.599 20 0 EHADLO FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623860182 1127200143 /nfs/dbraw/zinc/20/01/43/1127200143.db2.gz LLHDVMYXQKEBBG-LLVKDONJSA-N 1 2 343.374 3.646 20 0 EHADLO CCc1nc([C@H]2CCCCN2c2nc3ccccc3n3c[nH+]cc23)no1 ZINC000623878614 1127204468 /nfs/dbraw/zinc/20/44/68/1127204468.db2.gz MDDOFQGCGYTZFV-OAHLLOKOSA-N 1 2 348.410 3.560 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000623960142 1127222445 /nfs/dbraw/zinc/22/24/45/1127222445.db2.gz MFBQFVQIYTVZJV-JTQLQIEISA-N 1 2 342.340 3.623 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)N(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624099773 1127250874 /nfs/dbraw/zinc/25/08/74/1127250874.db2.gz AUMVBXMXYAGGBP-KDOFPFPSSA-N 1 2 329.407 3.865 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000181012224 1127263627 /nfs/dbraw/zinc/26/36/27/1127263627.db2.gz HNYZOGVBWNPAHB-UHFFFAOYSA-N 1 2 327.302 3.506 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)o1 ZINC000181012224 1127263631 /nfs/dbraw/zinc/26/36/31/1127263631.db2.gz HNYZOGVBWNPAHB-UHFFFAOYSA-N 1 2 327.302 3.506 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC34CCCCC4)cn2c1 ZINC000181309225 1127273193 /nfs/dbraw/zinc/27/31/93/1127273193.db2.gz BUDXQGLYAFVRCZ-MRXNPFEDSA-N 1 2 343.496 3.715 20 0 EHADLO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000181238617 1127270743 /nfs/dbraw/zinc/27/07/43/1127270743.db2.gz IEPDDHJORJBYFT-MAUKXSAKSA-N 1 2 341.455 3.985 20 0 EHADLO Nc1ccnc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000181600995 1127284566 /nfs/dbraw/zinc/28/45/66/1127284566.db2.gz MITUWACSAUENLD-QGZVFWFLSA-N 1 2 338.842 3.786 20 0 EHADLO CC(C)COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nccc(N)n1 ZINC000181722171 1127291771 /nfs/dbraw/zinc/29/17/71/1127291771.db2.gz XHPLDMRJYXZOMO-QGZVFWFLSA-N 1 2 342.487 3.971 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4C3)co2)cc1 ZINC000182005558 1127308295 /nfs/dbraw/zinc/30/82/95/1127308295.db2.gz VNWDVTZJMCSMRW-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCc4ccccc4C3)co2)cc1 ZINC000182005558 1127308297 /nfs/dbraw/zinc/30/82/97/1127308297.db2.gz VNWDVTZJMCSMRW-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO CSc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182878541 1127351680 /nfs/dbraw/zinc/35/16/80/1127351680.db2.gz XAHSWAQCNJFRFF-AWEZNQCLSA-N 1 2 329.469 3.813 20 0 EHADLO Fc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCS2 ZINC000182884704 1127352678 /nfs/dbraw/zinc/35/26/78/1127352678.db2.gz BSLGBNROUBUVIM-MRXNPFEDSA-N 1 2 345.443 3.706 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(OC2CCCC2)c1 ZINC000183070859 1127361541 /nfs/dbraw/zinc/36/15/41/1127361541.db2.gz YTLXJGRKYMHUCV-AWEZNQCLSA-N 1 2 329.444 3.601 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cnn1C ZINC000183403837 1127375773 /nfs/dbraw/zinc/37/57/73/1127375773.db2.gz XNTXCLASVVMRCO-CYBMUJFWSA-N 1 2 326.469 3.627 20 0 EHADLO CC[C@@H]([NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)C(N)=O ZINC000183732519 1127385268 /nfs/dbraw/zinc/38/52/68/1127385268.db2.gz VXWZSHNSDRZFET-HZPDHXFCSA-N 1 2 337.250 3.936 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C)c1ccco1 ZINC000184608803 1127409977 /nfs/dbraw/zinc/40/99/77/1127409977.db2.gz BJXRMCYLBSXTJJ-IUODEOHRSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(C)o1 ZINC000184731264 1127412515 /nfs/dbraw/zinc/41/25/15/1127412515.db2.gz KMAJLJCFSJEXGG-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000184775740 1127413248 /nfs/dbraw/zinc/41/32/48/1127413248.db2.gz ONMNOIKIJDJQFI-MAUKXSAKSA-N 1 2 344.455 3.763 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000185018481 1127418270 /nfs/dbraw/zinc/41/82/70/1127418270.db2.gz CRYVOALKRADZFB-WMLDXEAASA-N 1 2 343.496 3.638 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000185027065 1127418537 /nfs/dbraw/zinc/41/85/37/1127418537.db2.gz UHOAIXVWFSKABP-GUYCJALGSA-N 1 2 349.475 3.755 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1nccs1 ZINC000185074713 1127419870 /nfs/dbraw/zinc/41/98/70/1127419870.db2.gz ACZCVXCEABBDME-LLVKDONJSA-N 1 2 343.374 3.841 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[NH2+]C2(c3nccs3)CCCC2)C1 ZINC000764127389 1127446460 /nfs/dbraw/zinc/44/64/60/1127446460.db2.gz SNIPYABBVLVUAZ-LBPRGKRZSA-N 1 2 349.525 3.508 20 0 EHADLO Nc1ccc(N[C@H]2COc3c2ccc(Br)c3Cl)c[nH+]1 ZINC001168533634 1127531264 /nfs/dbraw/zinc/53/12/64/1127531264.db2.gz MFXIANFCVMPHKJ-JTQLQIEISA-N 1 2 340.608 3.625 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000764934154 1127555421 /nfs/dbraw/zinc/55/54/21/1127555421.db2.gz ZLBCKCNJDLHRJT-ZDUSSCGKSA-N 1 2 349.500 3.963 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)CCOCc1ccccc1 ZINC000384314476 1127575172 /nfs/dbraw/zinc/57/51/72/1127575172.db2.gz RTBWGLCTOHMEOB-UHFFFAOYSA-N 1 2 341.451 3.937 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CCOCc1ccccc1 ZINC000384314476 1127575176 /nfs/dbraw/zinc/57/51/76/1127575176.db2.gz RTBWGLCTOHMEOB-UHFFFAOYSA-N 1 2 341.451 3.937 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000350860021 1127659166 /nfs/dbraw/zinc/65/91/66/1127659166.db2.gz BLBGSMDLWOITHQ-UHFFFAOYSA-N 1 2 347.831 3.519 20 0 EHADLO C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@@H]1COc2ccccc2O1 ZINC000016378827 1127662575 /nfs/dbraw/zinc/66/25/75/1127662575.db2.gz BZSCRPIDXLKUIC-CQSZACIVSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1cc(-c2cccs2)on1)C[C@@H]1COc2ccccc2O1 ZINC000016378827 1127662576 /nfs/dbraw/zinc/66/25/76/1127662576.db2.gz BZSCRPIDXLKUIC-CQSZACIVSA-N 1 2 342.420 3.675 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000022089947 1127686866 /nfs/dbraw/zinc/68/68/66/1127686866.db2.gz KGFXAWZDTDFWKP-LBPRGKRZSA-N 1 2 344.484 3.784 20 0 EHADLO C[C@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000024050786 1127701869 /nfs/dbraw/zinc/70/18/69/1127701869.db2.gz KBLHKGOLPABROJ-LBPRGKRZSA-N 1 2 338.436 3.706 20 0 EHADLO Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000765666599 1127720482 /nfs/dbraw/zinc/72/04/82/1127720482.db2.gz ZMZYFNPLMDZTPI-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO CCCCOc1ncccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921591060 1127759127 /nfs/dbraw/zinc/75/91/27/1127759127.db2.gz FOEWDJOGJSQBMQ-UHFFFAOYSA-N 1 2 334.851 3.804 20 0 EHADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000026215847 1127770384 /nfs/dbraw/zinc/77/03/84/1127770384.db2.gz DBGMXCOVJVBBLD-UHFFFAOYSA-N 1 2 345.855 3.619 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000027557158 1127781397 /nfs/dbraw/zinc/78/13/97/1127781397.db2.gz NIFWAJDOEMGGGQ-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000027557158 1127781399 /nfs/dbraw/zinc/78/13/99/1127781399.db2.gz NIFWAJDOEMGGGQ-ZDUSSCGKSA-N 1 2 328.387 3.660 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2ccccc2o1 ZINC000029027297 1127793644 /nfs/dbraw/zinc/79/36/44/1127793644.db2.gz IJRSMKKNGHVOIH-UHFFFAOYSA-N 1 2 331.375 3.608 20 0 EHADLO Clc1ncc2ccccc2c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352100 1127909636 /nfs/dbraw/zinc/90/96/36/1127909636.db2.gz IPYQKEVYZVFFSG-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)C(C)C)cc1 ZINC000043312098 1127917644 /nfs/dbraw/zinc/91/76/44/1127917644.db2.gz VVVDUORTBSKAIR-SFHVURJKSA-N 1 2 328.460 3.532 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000043607088 1127923300 /nfs/dbraw/zinc/92/33/00/1127923300.db2.gz BXUGZSIZQGHNMN-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000043607088 1127923303 /nfs/dbraw/zinc/92/33/03/1127923303.db2.gz BXUGZSIZQGHNMN-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(F)c(F)c1 ZINC000044438366 1127937038 /nfs/dbraw/zinc/93/70/38/1127937038.db2.gz MRJBFQXKCQUSLV-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(F)c(F)c1 ZINC000044438366 1127937039 /nfs/dbraw/zinc/93/70/39/1127937039.db2.gz MRJBFQXKCQUSLV-UHFFFAOYSA-N 1 2 342.748 3.828 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3cccs3)n2)cc1 ZINC000044871026 1127942817 /nfs/dbraw/zinc/94/28/17/1127942817.db2.gz XWRDDQUQMGKOEG-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3cccs3)n2)cc1 ZINC000044871026 1127942821 /nfs/dbraw/zinc/94/28/21/1127942821.db2.gz XWRDDQUQMGKOEG-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045054269 1127944822 /nfs/dbraw/zinc/94/48/22/1127944822.db2.gz SCOUVNAZZNEESP-HXUWFJFHSA-N 1 2 343.386 3.985 20 0 EHADLO CC(C)c1ccc(CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C2CC2)cc1 ZINC000047029210 1127998988 /nfs/dbraw/zinc/99/89/88/1127998988.db2.gz RCHAYFCRBAEWRX-INIZCTEOSA-N 1 2 340.471 3.769 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2ccc(Br)cc2F)s1 ZINC000047259474 1128004620 /nfs/dbraw/zinc/00/46/20/1128004620.db2.gz JNDGGCUMJZIIDA-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2ccc(Br)cc2F)s1 ZINC000047259474 1128004625 /nfs/dbraw/zinc/00/46/25/1128004625.db2.gz JNDGGCUMJZIIDA-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO CSCCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265695013 1128010481 /nfs/dbraw/zinc/01/04/81/1128010481.db2.gz BLPBEHPKAZBQLE-OAHLLOKOSA-N 1 2 336.501 3.552 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)F)cc1 ZINC000338662449 1128012037 /nfs/dbraw/zinc/01/20/37/1128012037.db2.gz NDYODUCBQKRHCK-UHFFFAOYSA-N 1 2 346.377 3.709 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895878 1128031233 /nfs/dbraw/zinc/03/12/33/1128031233.db2.gz CVJABTQHMDTVGD-QGZVFWFLSA-N 1 2 348.450 3.611 20 0 EHADLO Clc1cc2cnccc2c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212364785 1128032272 /nfs/dbraw/zinc/03/22/72/1128032272.db2.gz RXIZPICHIRYENI-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000056990989 1128033934 /nfs/dbraw/zinc/03/39/34/1128033934.db2.gz DRGZPTIUJCBNMY-FQEVSTJZSA-N 1 2 349.409 3.859 20 0 EHADLO CC(C)COc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001212366191 1128040477 /nfs/dbraw/zinc/04/04/77/1128040477.db2.gz FXLKLWMMNKKIKY-UHFFFAOYSA-N 1 2 345.418 3.836 20 0 EHADLO COc1cccc2c(Nc3ccc[nH+]c3N3CCOCC3)cccc12 ZINC001212366308 1128043347 /nfs/dbraw/zinc/04/33/47/1128043347.db2.gz KKPBTJVQSCYCRR-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO CC(C)CCSCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000057359157 1128045759 /nfs/dbraw/zinc/04/57/59/1128045759.db2.gz KLMNDNSZYFGBRR-UHFFFAOYSA-N 1 2 347.484 3.680 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000058794871 1128080968 /nfs/dbraw/zinc/08/09/68/1128080968.db2.gz FPNYSUUZTODMEE-HIFRSBDPSA-N 1 2 345.512 3.914 20 0 EHADLO CC[N@@H+](Cc1nc(C)c2ccccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000107895875 1128086943 /nfs/dbraw/zinc/08/69/43/1128086943.db2.gz OHXCXVVAPNZJGJ-MRXNPFEDSA-N 1 2 349.434 3.600 20 0 EHADLO CC[N@H+](Cc1nc(C)c2ccccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000107895875 1128086947 /nfs/dbraw/zinc/08/69/47/1128086947.db2.gz OHXCXVVAPNZJGJ-MRXNPFEDSA-N 1 2 349.434 3.600 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000060459900 1128102322 /nfs/dbraw/zinc/10/23/22/1128102322.db2.gz BVUVWMJDYWAVQA-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)s2)o1 ZINC000061002162 1128117532 /nfs/dbraw/zinc/11/75/32/1128117532.db2.gz YREBHHHYNDBBKD-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)s2)o1 ZINC000061002162 1128117535 /nfs/dbraw/zinc/11/75/35/1128117535.db2.gz YREBHHHYNDBBKD-UHFFFAOYSA-N 1 2 344.230 3.522 20 0 EHADLO CC1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000063199836 1128140167 /nfs/dbraw/zinc/14/01/67/1128140167.db2.gz DPFHOJPASIZESX-UHFFFAOYSA-N 1 2 344.434 3.637 20 0 EHADLO CC(C)(C)c1ccc2cc(C(=O)NCCNc3cccc[nH+]3)[nH]c2c1 ZINC000063705281 1128153008 /nfs/dbraw/zinc/15/30/08/1128153008.db2.gz ZKSKMUCSWYBUKT-UHFFFAOYSA-N 1 2 336.439 3.702 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000065296514 1128187505 /nfs/dbraw/zinc/18/75/05/1128187505.db2.gz BVWOITZUPQGUJE-KRWDZBQOSA-N 1 2 343.496 3.643 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000065296514 1128187506 /nfs/dbraw/zinc/18/75/06/1128187506.db2.gz BVWOITZUPQGUJE-KRWDZBQOSA-N 1 2 343.496 3.643 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2c(s1)CCCC2 ZINC000068421432 1128266162 /nfs/dbraw/zinc/26/61/62/1128266162.db2.gz ZSIRTULOHZBWEP-UHFFFAOYSA-N 1 2 329.469 3.644 20 0 EHADLO CC(C)COc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000068423170 1128266175 /nfs/dbraw/zinc/26/61/75/1128266175.db2.gz GOJZPCSGXZFTFA-UHFFFAOYSA-N 1 2 341.455 3.739 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753348 1128214267 /nfs/dbraw/zinc/21/42/67/1128214267.db2.gz LVASKBOBXAHMCW-OLZOCXBDSA-N 1 2 349.394 3.526 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCC([C@@H](O)c3ccccc3)CC2)c1C ZINC000067226729 1128236743 /nfs/dbraw/zinc/23/67/43/1128236743.db2.gz ZAYHLVCQHYFHDW-FQEVSTJZSA-N 1 2 340.467 3.653 20 0 EHADLO O=C(C1CCC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890618 1128296720 /nfs/dbraw/zinc/29/67/20/1128296720.db2.gz NONRDPWSWQCEAX-UHFFFAOYSA-N 1 2 349.837 3.895 20 0 EHADLO CCCCn1c(SCc2cc(C)no2)nnc1[C@@H](CC)[NH+](C)C ZINC000071078021 1128297975 /nfs/dbraw/zinc/29/79/75/1128297975.db2.gz XSXISMFDCFXPJB-CQSZACIVSA-N 1 2 337.493 3.680 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072484693 1128298720 /nfs/dbraw/zinc/29/87/20/1128298720.db2.gz MPIYZQVLLBNNAW-KRWDZBQOSA-N 1 2 348.450 3.834 20 0 EHADLO Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c(C[NH+](C)C)c1 ZINC000072841319 1128307095 /nfs/dbraw/zinc/30/70/95/1128307095.db2.gz DXWBJKJOTBXJHD-UHFFFAOYSA-N 1 2 334.423 3.699 20 0 EHADLO CCO[C@@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)C1=CCCC1 ZINC000073012927 1128313494 /nfs/dbraw/zinc/31/34/94/1128313494.db2.gz OJUCAOUCLATLPK-SFHVURJKSA-N 1 2 325.412 3.716 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C ZINC001168608614 1128351689 /nfs/dbraw/zinc/35/16/89/1128351689.db2.gz LGVNVDPFOPAERH-NJAFHUGGSA-N 1 2 349.471 3.625 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000671784789 1128352240 /nfs/dbraw/zinc/35/22/40/1128352240.db2.gz YHKPMTAYEARPMY-LBPRGKRZSA-N 1 2 340.370 3.683 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000671784789 1128352245 /nfs/dbraw/zinc/35/22/45/1128352245.db2.gz YHKPMTAYEARPMY-LBPRGKRZSA-N 1 2 340.370 3.683 20 0 EHADLO COc1ccc([C@H]2C[C@H]([NH2+]CC(F)(F)c3ccccn3)CCO2)cc1 ZINC001168611727 1128376587 /nfs/dbraw/zinc/37/65/87/1128376587.db2.gz XEKBIWLIDDBFQP-NVXWUHKLSA-N 1 2 348.393 3.692 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444892787 1128435935 /nfs/dbraw/zinc/43/59/35/1128435935.db2.gz BWCULRFGSMBLBF-HOCLYGCPSA-N 1 2 342.443 3.539 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C(C)C)cc2)[nH+]c1C ZINC000921659904 1128439413 /nfs/dbraw/zinc/43/94/13/1128439413.db2.gz PPQVAJRPJJNYBZ-IAGOWNOFSA-N 1 2 327.428 3.693 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)/C=C\C3CCOCC3)cc2)[nH+]c1C ZINC000921661502 1128440052 /nfs/dbraw/zinc/44/00/52/1128440052.db2.gz ITNIHFVAGJPFII-BAQGIRSFSA-N 1 2 325.412 3.615 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C=CC3CCOCC3)cc2)[nH+]c1C ZINC000921661502 1128440054 /nfs/dbraw/zinc/44/00/54/1128440054.db2.gz ITNIHFVAGJPFII-BAQGIRSFSA-N 1 2 325.412 3.615 20 0 EHADLO CC(=O)n1ncc2ccc(Nc3cc(Cl)c4[nH+]ccn4c3)cc21 ZINC001212415203 1128479866 /nfs/dbraw/zinc/47/98/66/1128479866.db2.gz XBNPBABFEKRLSU-UHFFFAOYSA-N 1 2 325.759 3.741 20 0 EHADLO O=C(c1ccccc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282283389 1128502132 /nfs/dbraw/zinc/50/21/32/1128502132.db2.gz KXEDFSLDEVZBKV-AWEZNQCLSA-N 1 2 343.858 3.893 20 0 EHADLO C[C@@H]1C[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 ZINC000347640675 1128503610 /nfs/dbraw/zinc/50/36/10/1128503610.db2.gz QFNWBDMZXKRTDL-CHWSQXEVSA-N 1 2 339.361 3.500 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633671 1128513536 /nfs/dbraw/zinc/51/35/36/1128513536.db2.gz JCXZCHBRNWNFNJ-PVAVHDDUSA-N 1 2 343.389 3.985 20 0 EHADLO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@H](F)C(F)(F)C3)CCO2)cc1 ZINC001168633671 1128513538 /nfs/dbraw/zinc/51/35/38/1128513538.db2.gz JCXZCHBRNWNFNJ-PVAVHDDUSA-N 1 2 343.389 3.985 20 0 EHADLO CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000369291746 1128521425 /nfs/dbraw/zinc/52/14/25/1128521425.db2.gz BEABIUVCOSWZLU-QFBILLFUSA-N 1 2 339.483 3.882 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ncc(Cc4ccccc4)s3)n2c1 ZINC000542756197 1128581820 /nfs/dbraw/zinc/58/18/20/1128581820.db2.gz STWCOPWHFPYJFK-UHFFFAOYSA-N 1 2 334.448 3.724 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)c(C)c1OC ZINC000347661471 1128629766 /nfs/dbraw/zinc/62/97/66/1128629766.db2.gz YMFIURIVWQQEFZ-LBPRGKRZSA-N 1 2 343.383 3.506 20 0 EHADLO FC(F)(F)Cn1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cn1 ZINC000354061316 1128683822 /nfs/dbraw/zinc/68/38/22/1128683822.db2.gz NNOXBCGKOZHGAY-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO FC(F)(F)Cn1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)cn1 ZINC000354061316 1128683824 /nfs/dbraw/zinc/68/38/24/1128683824.db2.gz NNOXBCGKOZHGAY-UHFFFAOYSA-N 1 2 329.753 3.657 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000303649050 1128685626 /nfs/dbraw/zinc/68/56/26/1128685626.db2.gz DGOOMQZOWQQQLH-UHFFFAOYSA-N 1 2 339.826 3.888 20 0 EHADLO c1sc(C[NH2+]Cc2nccc3c2CCCC3)nc1-c1ccncc1 ZINC000921740076 1128702350 /nfs/dbraw/zinc/70/23/50/1128702350.db2.gz HVRJICSUFTZZIM-UHFFFAOYSA-N 1 2 336.464 3.769 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)n1 ZINC000921775250 1128753352 /nfs/dbraw/zinc/75/33/52/1128753352.db2.gz XPFJTDHERXDTDC-LBPRGKRZSA-N 1 2 326.799 3.588 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269261815 1128756036 /nfs/dbraw/zinc/75/60/36/1128756036.db2.gz BLXZFZHHLCMVJO-PBHICJAKSA-N 1 2 338.455 3.721 20 0 EHADLO COC(=O)c1coc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000338734707 1128787434 /nfs/dbraw/zinc/78/74/34/1128787434.db2.gz OVGRIEWBZLOUEG-YVEFUNNKSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1coc(C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000338734707 1128787436 /nfs/dbraw/zinc/78/74/36/1128787436.db2.gz OVGRIEWBZLOUEG-YVEFUNNKSA-N 1 2 329.396 3.947 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c(F)c2)cc1 ZINC000672147243 1128801426 /nfs/dbraw/zinc/80/14/26/1128801426.db2.gz IYVJCMBQESLZPI-QGZVFWFLSA-N 1 2 349.409 3.742 20 0 EHADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(C2CCCCC2)CCCCC1 ZINC000672149265 1128803645 /nfs/dbraw/zinc/80/36/45/1128803645.db2.gz KFEHCTRPZUAWGC-KRWDZBQOSA-N 1 2 329.488 3.845 20 0 EHADLO CC(C)c1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(O)c(C(C)C)c1 ZINC000672152419 1128814162 /nfs/dbraw/zinc/81/41/62/1128814162.db2.gz JWLAOXKMHPMXCD-OAHLLOKOSA-N 1 2 341.455 3.580 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1F ZINC000656205517 1128814802 /nfs/dbraw/zinc/81/48/02/1128814802.db2.gz IGBVDSCLAPFVCM-OAHLLOKOSA-N 1 2 332.448 3.732 20 0 EHADLO CC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1F ZINC000656205517 1128814806 /nfs/dbraw/zinc/81/48/06/1128814806.db2.gz IGBVDSCLAPFVCM-OAHLLOKOSA-N 1 2 332.448 3.732 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccccc3C)cs2)o1 ZINC000542912462 1128833416 /nfs/dbraw/zinc/83/34/16/1128833416.db2.gz LEOKOWUAEXZRKG-INIZCTEOSA-N 1 2 328.437 3.843 20 0 EHADLO CC(C)c1nc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c2ccccn21 ZINC000656267971 1128842928 /nfs/dbraw/zinc/84/29/28/1128842928.db2.gz PMNIBVYVFFUCHN-QGZVFWFLSA-N 1 2 348.450 3.501 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000156518532 1128858230 /nfs/dbraw/zinc/85/82/30/1128858230.db2.gz ZVVOQGLEEUHXDP-SNVBAGLBSA-N 1 2 334.279 3.520 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000156518532 1128858234 /nfs/dbraw/zinc/85/82/34/1128858234.db2.gz ZVVOQGLEEUHXDP-SNVBAGLBSA-N 1 2 334.279 3.520 20 0 EHADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000347672052 1128861688 /nfs/dbraw/zinc/86/16/88/1128861688.db2.gz CPKDHTCMMVISKO-UHFFFAOYSA-N 1 2 335.276 3.809 20 0 EHADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000347672052 1128861692 /nfs/dbraw/zinc/86/16/92/1128861692.db2.gz CPKDHTCMMVISKO-UHFFFAOYSA-N 1 2 335.276 3.809 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2occc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001648844547 1120053151 /nfs/dbraw/zinc/05/31/51/1120053151.db2.gz VFOZXGPEJIYERQ-HBUWYVDXSA-N 1 2 330.428 3.505 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+]Cc3csc(N(C)C)n3)s2)cc1 ZINC000080245833 1120114536 /nfs/dbraw/zinc/11/45/36/1120114536.db2.gz ZNJWAZZTDGINOO-UHFFFAOYSA-N 1 2 344.509 3.931 20 0 EHADLO CCc1nn(C)c(CC)c1CNc1[nH+]c2cc(F)ccc2n1CC ZINC000128901464 1120129401 /nfs/dbraw/zinc/12/94/01/1120129401.db2.gz LDCRPXRLXBTYTR-UHFFFAOYSA-N 1 2 329.423 3.666 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000110056381 1120133211 /nfs/dbraw/zinc/13/32/11/1120133211.db2.gz GEUUCHIPHPKROS-QGZVFWFLSA-N 1 2 347.821 3.867 20 0 EHADLO O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000110056381 1120133213 /nfs/dbraw/zinc/13/32/13/1120133213.db2.gz GEUUCHIPHPKROS-QGZVFWFLSA-N 1 2 347.821 3.867 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001687361103 1120176016 /nfs/dbraw/zinc/17/60/16/1120176016.db2.gz PKYPOCSNFYNENE-MGPUTAFESA-N 1 2 335.451 3.502 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001687361103 1120176018 /nfs/dbraw/zinc/17/60/18/1120176018.db2.gz PKYPOCSNFYNENE-MGPUTAFESA-N 1 2 335.451 3.502 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC/C=C/C2CC2)c(C)c1 ZINC001670849627 1120329636 /nfs/dbraw/zinc/32/96/36/1120329636.db2.gz WXQOMNUNVUOXOG-RTLBZRNLSA-N 1 2 338.455 3.507 20 0 EHADLO O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000532763426 1120331122 /nfs/dbraw/zinc/33/11/22/1120331122.db2.gz AMZXMFAPJPSZPM-CYBMUJFWSA-N 1 2 331.375 3.984 20 0 EHADLO C[C@H](CN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687424085 1120336085 /nfs/dbraw/zinc/33/60/85/1120336085.db2.gz NGTYLEPBCPWBSH-AEFFLSMTSA-N 1 2 342.487 3.948 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000186268377 1120451545 /nfs/dbraw/zinc/45/15/45/1120451545.db2.gz NRDDNZILSAYLDM-YLJYHZDGSA-N 1 2 329.488 3.760 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccccc2Br)c2ccccc21 ZINC000112344520 1128919447 /nfs/dbraw/zinc/91/94/47/1128919447.db2.gz CLGGAZCOWLQZSN-UHFFFAOYSA-N 1 2 330.229 3.626 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)n1 ZINC000494357522 1120537700 /nfs/dbraw/zinc/53/77/00/1120537700.db2.gz JWEGRQNYYZXDKR-LBPRGKRZSA-N 1 2 332.469 3.717 20 0 EHADLO COc1ccc(Cn2ccc(NCc3c[nH+]c4c(C)cccn34)n2)cc1 ZINC000189269934 1120574030 /nfs/dbraw/zinc/57/40/30/1120574030.db2.gz ZGHXKDTZPCYUGO-UHFFFAOYSA-N 1 2 347.422 3.508 20 0 EHADLO O[C@H](C[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1)CC(F)(F)F ZINC000189389833 1120581333 /nfs/dbraw/zinc/58/13/33/1120581333.db2.gz OLYVPOASRDHQNA-JTQLQIEISA-N 1 2 328.161 3.665 20 0 EHADLO O[C@H](C[N@H+]1CCc2c(Cl)cc(Cl)cc2C1)CC(F)(F)F ZINC000189389833 1120581338 /nfs/dbraw/zinc/58/13/38/1120581338.db2.gz OLYVPOASRDHQNA-JTQLQIEISA-N 1 2 328.161 3.665 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000191628315 1120682674 /nfs/dbraw/zinc/68/26/74/1120682674.db2.gz RPHBCGLPKFXQAZ-GHMZBOCLSA-N 1 2 338.249 3.603 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000191808727 1120696732 /nfs/dbraw/zinc/69/67/32/1120696732.db2.gz UBVJWMYZDMETQU-GWCFXTLKSA-N 1 2 347.789 3.572 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000191808727 1120696734 /nfs/dbraw/zinc/69/67/34/1120696734.db2.gz UBVJWMYZDMETQU-GWCFXTLKSA-N 1 2 347.789 3.572 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)c1cn[nH]c1 ZINC000494621714 1120700904 /nfs/dbraw/zinc/70/09/04/1120700904.db2.gz TYXUMYGTRHREGH-JTQLQIEISA-N 1 2 347.216 3.678 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nnc(-c2cccs2)o1 ZINC000494635888 1120708256 /nfs/dbraw/zinc/70/82/56/1120708256.db2.gz WRDKALWDLYDGOI-GHMZBOCLSA-N 1 2 335.454 3.552 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2cccs2)o1 ZINC000494635891 1120708490 /nfs/dbraw/zinc/70/84/90/1120708490.db2.gz WRDKALWDLYDGOI-QWRGUYRKSA-N 1 2 335.454 3.552 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCc1cccc2ccccc21 ZINC000195073908 1120763170 /nfs/dbraw/zinc/76/31/70/1120763170.db2.gz DHPFAKQZBURCOI-UHFFFAOYSA-N 1 2 334.423 3.536 20 0 EHADLO CCC[C@H](CC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000195365879 1120779313 /nfs/dbraw/zinc/77/93/13/1120779313.db2.gz ADMAFCSPXWWECO-NUJGCVRESA-N 1 2 347.503 3.996 20 0 EHADLO CCCCSCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000914464848 1120785907 /nfs/dbraw/zinc/78/59/07/1120785907.db2.gz MHVINAWHTDUXPV-UHFFFAOYSA-N 1 2 327.519 3.601 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000194339816 1120837143 /nfs/dbraw/zinc/83/71/43/1120837143.db2.gz XDYWKSXFYSYQQE-UHFFFAOYSA-N 1 2 334.206 3.500 20 0 EHADLO CC[N@H+](CCNCc1c(F)cccc1Cl)CCC(F)(F)F ZINC000494845793 1120883983 /nfs/dbraw/zinc/88/39/83/1120883983.db2.gz JEONPGDWWNRBOH-UHFFFAOYSA-N 1 2 326.765 3.843 20 0 EHADLO CC[N@@H+](CCNCc1c(F)cccc1Cl)CCC(F)(F)F ZINC000494845793 1120883989 /nfs/dbraw/zinc/88/39/89/1120883989.db2.gz JEONPGDWWNRBOH-UHFFFAOYSA-N 1 2 326.765 3.843 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000494872815 1120889604 /nfs/dbraw/zinc/88/96/04/1120889604.db2.gz HSEGHBKKAYAZSQ-QMMMGPOBSA-N 1 2 331.178 3.539 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CCCOCc3ccccc3)CCO2)cc1F ZINC000542520526 1120896772 /nfs/dbraw/zinc/89/67/72/1120896772.db2.gz IWELSHYSFAPTJN-HXUWFJFHSA-N 1 2 347.405 3.945 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)cc1F ZINC000542520526 1120896776 /nfs/dbraw/zinc/89/67/76/1120896776.db2.gz IWELSHYSFAPTJN-HXUWFJFHSA-N 1 2 347.405 3.945 20 0 EHADLO CC(=O)OC1CC[NH+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000153223414 1120897452 /nfs/dbraw/zinc/89/74/52/1120897452.db2.gz RSWUIAZQKUQNQH-UHFFFAOYSA-N 1 2 345.468 3.723 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000914566805 1120902467 /nfs/dbraw/zinc/90/24/67/1120902467.db2.gz HZBXAQHRDQZSRG-MRXNPFEDSA-N 1 2 341.842 3.788 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000914566805 1120902470 /nfs/dbraw/zinc/90/24/70/1120902470.db2.gz HZBXAQHRDQZSRG-MRXNPFEDSA-N 1 2 341.842 3.788 20 0 EHADLO CC[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1nc(-c2ccccc2)c[nH]1 ZINC000542960930 1128948493 /nfs/dbraw/zinc/94/84/93/1128948493.db2.gz FQXBNXKMMAEGQO-INIZCTEOSA-N 1 2 349.438 3.783 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000494940624 1120912301 /nfs/dbraw/zinc/91/23/01/1120912301.db2.gz STJYOZZGLXPMJW-CYBMUJFWSA-N 1 2 338.249 3.893 20 0 EHADLO Cn1ncc(Br)c1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000494940624 1120912305 /nfs/dbraw/zinc/91/23/05/1120912305.db2.gz STJYOZZGLXPMJW-CYBMUJFWSA-N 1 2 338.249 3.893 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C2CC2)o1 ZINC000613442937 1120923086 /nfs/dbraw/zinc/92/30/86/1120923086.db2.gz DJIXBZSDPHWEED-UHFFFAOYSA-N 1 2 340.467 3.990 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C2CC2)o1 ZINC000613442937 1120923089 /nfs/dbraw/zinc/92/30/89/1120923089.db2.gz DJIXBZSDPHWEED-UHFFFAOYSA-N 1 2 340.467 3.990 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(Br)cnn2C)cc1 ZINC000495061075 1120940622 /nfs/dbraw/zinc/94/06/22/1120940622.db2.gz BOTZNPKGQDVUGI-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)cc1 ZINC000495061075 1120940625 /nfs/dbraw/zinc/94/06/25/1120940625.db2.gz BOTZNPKGQDVUGI-HNNXBMFYSA-N 1 2 334.261 3.828 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000153320510 1120963590 /nfs/dbraw/zinc/96/35/90/1120963590.db2.gz MDBBUQSQNWSOTE-INIZCTEOSA-N 1 2 345.516 3.521 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000153320510 1120963593 /nfs/dbraw/zinc/96/35/93/1120963593.db2.gz MDBBUQSQNWSOTE-INIZCTEOSA-N 1 2 345.516 3.521 20 0 EHADLO CCc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000451217075 1128955803 /nfs/dbraw/zinc/95/58/03/1128955803.db2.gz KMGBSDIVRXRLSI-CQSZACIVSA-N 1 2 337.423 3.749 20 0 EHADLO CCc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)s1 ZINC000230698873 1121007355 /nfs/dbraw/zinc/00/73/55/1121007355.db2.gz DEBZHFDVCJGEHU-UHFFFAOYSA-N 1 2 343.901 3.657 20 0 EHADLO CCN(Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000762074758 1121092097 /nfs/dbraw/zinc/09/20/97/1121092097.db2.gz IRNJUJJIONRTHM-UHFFFAOYSA-N 1 2 345.406 3.949 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000302810725 1121103405 /nfs/dbraw/zinc/10/34/05/1121103405.db2.gz PDEYYUKHLRTCNW-KRWDZBQOSA-N 1 2 328.431 3.583 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@@H+](C)Cc3ccc(F)c(Cl)c3)c2c1 ZINC000762121235 1121112147 /nfs/dbraw/zinc/11/21/47/1121112147.db2.gz QQLDLKCVCQRPOC-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO Cc1ccc2oc(=O)n(C[N@H+](C)Cc3ccc(F)c(Cl)c3)c2c1 ZINC000762121235 1121112148 /nfs/dbraw/zinc/11/21/48/1121112148.db2.gz QQLDLKCVCQRPOC-UHFFFAOYSA-N 1 2 334.778 3.785 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc(C)cc2Cl)c1C ZINC000762168523 1121140985 /nfs/dbraw/zinc/14/09/85/1121140985.db2.gz RORSDZGFNZDZIS-UHFFFAOYSA-N 1 2 332.831 3.528 20 0 EHADLO CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563767 1121160623 /nfs/dbraw/zinc/16/06/23/1121160623.db2.gz XQQOISZTXANJPJ-OAHLLOKOSA-N 1 2 326.843 3.750 20 0 EHADLO CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563767 1121160626 /nfs/dbraw/zinc/16/06/26/1121160626.db2.gz XQQOISZTXANJPJ-OAHLLOKOSA-N 1 2 326.843 3.750 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(F)c1)[C@H]2C ZINC001168487742 1121176931 /nfs/dbraw/zinc/17/69/31/1121176931.db2.gz QLVDGPZJXXWWJR-CABCVRRESA-N 1 2 331.435 3.567 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(F)c1)[C@H]2C ZINC001168487742 1121176936 /nfs/dbraw/zinc/17/69/36/1121176936.db2.gz QLVDGPZJXXWWJR-CABCVRRESA-N 1 2 331.435 3.567 20 0 EHADLO CN(C)c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000762251419 1121216346 /nfs/dbraw/zinc/21/63/46/1121216346.db2.gz MHLZZUBRGDHDMS-UHFFFAOYSA-N 1 2 349.369 3.794 20 0 EHADLO Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc[nH+]c(N(C)C)c2)n1 ZINC000762472948 1121316036 /nfs/dbraw/zinc/31/60/36/1121316036.db2.gz DHPKETWNSKEMGQ-UHFFFAOYSA-N 1 2 343.434 3.916 20 0 EHADLO Cc1cccc([C@@H]([NH2+]Cc2cccc3c2OCO3)c2ccccn2)c1 ZINC000153568794 1121339025 /nfs/dbraw/zinc/33/90/25/1121339025.db2.gz GQFRIKKQRBDNFB-HXUWFJFHSA-N 1 2 332.403 3.998 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)s1 ZINC000495648118 1121340500 /nfs/dbraw/zinc/34/05/00/1121340500.db2.gz XVFWYIXAMXNWDL-UHFFFAOYSA-N 1 2 340.474 3.545 20 0 EHADLO COc1ccsc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000495867142 1121549403 /nfs/dbraw/zinc/54/94/03/1121549403.db2.gz QDWWOBUUFHIKTH-UHFFFAOYSA-N 1 2 349.456 3.789 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000749939041 1121636759 /nfs/dbraw/zinc/63/67/59/1121636759.db2.gz VJBNBZZQWJZHEH-CYBMUJFWSA-N 1 2 342.386 3.593 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000749939041 1121636761 /nfs/dbraw/zinc/63/67/61/1121636761.db2.gz VJBNBZZQWJZHEH-CYBMUJFWSA-N 1 2 342.386 3.593 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(Br)c1 ZINC000393501943 1121642550 /nfs/dbraw/zinc/64/25/50/1121642550.db2.gz LMBSHHAJTIPMQO-VIFPVBQESA-N 1 2 328.641 3.687 20 0 EHADLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000193785756 1121647521 /nfs/dbraw/zinc/64/75/21/1121647521.db2.gz CDNWDVGERZXHHH-LLVKDONJSA-N 1 2 345.270 3.821 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000356755983 1129002641 /nfs/dbraw/zinc/00/26/41/1129002641.db2.gz UINZSGCPRBYRKL-UHFFFAOYSA-N 1 2 338.455 3.653 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000171750524 1121734077 /nfs/dbraw/zinc/73/40/77/1121734077.db2.gz HCNRZAQVZZHCSJ-UKRRQHHQSA-N 1 2 345.512 3.712 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000171750524 1121734079 /nfs/dbraw/zinc/73/40/79/1121734079.db2.gz HCNRZAQVZZHCSJ-UKRRQHHQSA-N 1 2 345.512 3.712 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccoc2C)c1 ZINC000055055004 1121793304 /nfs/dbraw/zinc/79/33/04/1121793304.db2.gz CSNMNNHQGUSEAN-UHFFFAOYSA-N 1 2 344.455 3.515 20 0 EHADLO CCCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccoc2C)c1 ZINC000055055004 1121793310 /nfs/dbraw/zinc/79/33/10/1121793310.db2.gz CSNMNNHQGUSEAN-UHFFFAOYSA-N 1 2 344.455 3.515 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2c1 ZINC000055697132 1121858224 /nfs/dbraw/zinc/85/82/24/1121858224.db2.gz WGAGIKCDMKABKH-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444127137 1121868963 /nfs/dbraw/zinc/86/89/63/1121868963.db2.gz UXFNQQAWTXODPO-OAGGEKHMSA-N 1 2 332.492 3.524 20 0 EHADLO CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000055968159 1121901185 /nfs/dbraw/zinc/90/11/85/1121901185.db2.gz BODGMSNXTXEAMT-INIZCTEOSA-N 1 2 325.437 3.874 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(CC)no1)CC2 ZINC001203227863 1121927510 /nfs/dbraw/zinc/92/75/10/1121927510.db2.gz JTPLWVUVEGTTQU-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(CC)no1)CC2 ZINC001203227863 1121927520 /nfs/dbraw/zinc/92/75/20/1121927520.db2.gz JTPLWVUVEGTTQU-UHFFFAOYSA-N 1 2 330.428 3.593 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@@H]3C)cs2)cc1 ZINC000638070462 1121944059 /nfs/dbraw/zinc/94/40/59/1121944059.db2.gz XUIMAXSRQPAQGQ-ZDUSSCGKSA-N 1 2 345.468 3.821 20 0 EHADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@@H]3C)cs2)cc1 ZINC000638070462 1121944068 /nfs/dbraw/zinc/94/40/68/1121944068.db2.gz XUIMAXSRQPAQGQ-ZDUSSCGKSA-N 1 2 345.468 3.821 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444191521 1121970481 /nfs/dbraw/zinc/97/04/81/1121970481.db2.gz GAAWBXCPABSPOR-KSZLIROESA-N 1 2 346.519 3.914 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(C(F)(F)F)nc3n2CCCC3)CCS1 ZINC000638094701 1122044333 /nfs/dbraw/zinc/04/43/33/1122044333.db2.gz XADOMZBWBCSANQ-NSHDSACASA-N 1 2 333.423 3.566 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3n2CCCC3)CCS1 ZINC000638094701 1122044339 /nfs/dbraw/zinc/04/43/39/1122044339.db2.gz XADOMZBWBCSANQ-NSHDSACASA-N 1 2 333.423 3.566 20 0 EHADLO CC[C@H]1C[C@H](CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCO1 ZINC000496441836 1122084570 /nfs/dbraw/zinc/08/45/70/1122084570.db2.gz WUUYJVPEWFKBMR-ZBFHGGJFSA-N 1 2 349.475 3.723 20 0 EHADLO C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000154092333 1122217850 /nfs/dbraw/zinc/21/78/50/1122217850.db2.gz LZSDMRGZTFPOFF-NSHDSACASA-N 1 2 332.329 3.535 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc(F)c1F ZINC000065425371 1122398224 /nfs/dbraw/zinc/39/82/24/1122398224.db2.gz QVJPZJYMNFVSLE-UHFFFAOYSA-N 1 2 346.381 3.672 20 0 EHADLO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126293867 1122399794 /nfs/dbraw/zinc/39/97/94/1122399794.db2.gz WMPLNGZHPVGFGO-DOMZBBRYSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126293867 1122399799 /nfs/dbraw/zinc/39/97/99/1122399799.db2.gz WMPLNGZHPVGFGO-DOMZBBRYSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000497278371 1122432205 /nfs/dbraw/zinc/43/22/05/1122432205.db2.gz BXEJBFJRALVOGW-UHFFFAOYSA-N 1 2 345.443 3.607 20 0 EHADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000497278371 1122432207 /nfs/dbraw/zinc/43/22/07/1122432207.db2.gz BXEJBFJRALVOGW-UHFFFAOYSA-N 1 2 345.443 3.607 20 0 EHADLO COc1cc(C[N@H+](C)CN2C(=O)[C@H]3CCCCC[C@H]32)ccc1SC ZINC000749950743 1122433675 /nfs/dbraw/zinc/43/36/75/1122433675.db2.gz VWXOFWLJRVPJSA-JKSUJKDBSA-N 1 2 348.512 3.598 20 0 EHADLO COc1cc(C[N@@H+](C)CN2C(=O)[C@H]3CCCCC[C@H]32)ccc1SC ZINC000749950743 1122433678 /nfs/dbraw/zinc/43/36/78/1122433678.db2.gz VWXOFWLJRVPJSA-JKSUJKDBSA-N 1 2 348.512 3.598 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000066846534 1122486998 /nfs/dbraw/zinc/48/69/98/1122486998.db2.gz SYUHHLKSAYJQAO-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000066846534 1122487001 /nfs/dbraw/zinc/48/70/01/1122487001.db2.gz SYUHHLKSAYJQAO-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO O=C(/C=C/c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033295869 1122583885 /nfs/dbraw/zinc/58/38/85/1122583885.db2.gz FSYSSVWBDAYUEO-ZFVREGAWSA-N 1 2 332.447 3.557 20 0 EHADLO CC(C)(C)n1nnn(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1=S ZINC000917477729 1122613370 /nfs/dbraw/zinc/61/33/70/1122613370.db2.gz HIOJFFCGPWVPGT-INIZCTEOSA-N 1 2 345.516 3.619 20 0 EHADLO CC(C)(C)n1nnn(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1=S ZINC000917477729 1122613372 /nfs/dbraw/zinc/61/33/72/1122613372.db2.gz HIOJFFCGPWVPGT-INIZCTEOSA-N 1 2 345.516 3.619 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3ccccc3n2C)n1 ZINC000917631075 1122658697 /nfs/dbraw/zinc/65/86/97/1122658697.db2.gz JXEVCGDHULXOJU-UHFFFAOYSA-N 1 2 342.468 3.729 20 0 EHADLO CCC(CC)[N@H+](Cn1nnn(Cc2cccs2)c1=S)C1CC1 ZINC000918178255 1122772023 /nfs/dbraw/zinc/77/20/23/1122772023.db2.gz FAGLHGYVVAEPMG-UHFFFAOYSA-N 1 2 337.518 3.529 20 0 EHADLO CCC(CC)[N@@H+](Cn1nnn(Cc2cccs2)c1=S)C1CC1 ZINC000918178255 1122772027 /nfs/dbraw/zinc/77/20/27/1122772027.db2.gz FAGLHGYVVAEPMG-UHFFFAOYSA-N 1 2 337.518 3.529 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183417 1122772718 /nfs/dbraw/zinc/77/27/18/1122772718.db2.gz APTOOTOTVPJYAP-CYBMUJFWSA-N 1 2 345.830 3.717 20 0 EHADLO C[C@@]1(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556225778 1122881969 /nfs/dbraw/zinc/88/19/69/1122881969.db2.gz QBEFYUBHZXOWDJ-BJLQDIEVSA-N 1 2 336.414 3.817 20 0 EHADLO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1 ZINC000070714798 1122915466 /nfs/dbraw/zinc/91/54/66/1122915466.db2.gz YFIAIRGIEUQECK-UHFFFAOYSA-N 1 2 344.480 3.510 20 0 EHADLO O=C(NNc1cc[nH+]cc1Cl)c1ccccc1Oc1cccnc1 ZINC000154815986 1122917441 /nfs/dbraw/zinc/91/74/41/1122917441.db2.gz XCSPIWRXNDWXNQ-UHFFFAOYSA-N 1 2 340.770 3.679 20 0 EHADLO CC(C)CO[C@H](C)c1noc(Cn2c[nH+]c(Cc3ccccc3)c2)n1 ZINC000919145042 1122986361 /nfs/dbraw/zinc/98/63/61/1122986361.db2.gz VIZRPHVEMQDJHP-OAHLLOKOSA-N 1 2 340.427 3.639 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000131434172 1123105547 /nfs/dbraw/zinc/10/55/47/1123105547.db2.gz PQZKGQHGKJDALK-RCCFBDPRSA-N 1 2 329.488 3.996 20 0 EHADLO Cc1ccc(C[N@H+](CCCC(C)C)CC(=O)Nc2cc(C)on2)o1 ZINC000919673048 1123111858 /nfs/dbraw/zinc/11/18/58/1123111858.db2.gz FKEJDHBFJIGGLS-UHFFFAOYSA-N 1 2 333.432 3.761 20 0 EHADLO Cc1ccc(C[N@@H+](CCCC(C)C)CC(=O)Nc2cc(C)on2)o1 ZINC000919673048 1123111859 /nfs/dbraw/zinc/11/18/59/1123111859.db2.gz FKEJDHBFJIGGLS-UHFFFAOYSA-N 1 2 333.432 3.761 20 0 EHADLO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CC[NH+](C2CC2)CC1 ZINC000498957683 1123130876 /nfs/dbraw/zinc/13/08/76/1123130876.db2.gz QLQGSKORELQPRX-UHFFFAOYSA-N 1 2 346.883 3.989 20 0 EHADLO CCOCCC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCC1 ZINC000556857973 1123155451 /nfs/dbraw/zinc/15/54/51/1123155451.db2.gz JPNGHUAZFRSFGV-QAQDUYKDSA-N 1 2 345.487 3.518 20 0 EHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000919839838 1123170855 /nfs/dbraw/zinc/17/08/55/1123170855.db2.gz YZIVKKPCWUPQLY-UHFFFAOYSA-N 1 2 342.483 3.538 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3ccsc3[nH]2)n1 ZINC000919852974 1123189399 /nfs/dbraw/zinc/18/93/99/1123189399.db2.gz YKCWOMFRCDDSTF-UHFFFAOYSA-N 1 2 334.470 3.780 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000132347861 1123220769 /nfs/dbraw/zinc/22/07/69/1123220769.db2.gz VRAOYKZSRWWLOU-LSDHHAIUSA-N 1 2 331.213 3.895 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C(C)(C)C ZINC000074201359 1123264289 /nfs/dbraw/zinc/26/42/89/1123264289.db2.gz AYDBXRSMBGVHJS-MRXNPFEDSA-N 1 2 346.519 3.764 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236657 1123290470 /nfs/dbraw/zinc/29/04/70/1123290470.db2.gz KJYWPNGMMCQRDN-HOCLYGCPSA-N 1 2 332.488 3.872 20 0 EHADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)o1 ZINC000499236657 1123290473 /nfs/dbraw/zinc/29/04/73/1123290473.db2.gz KJYWPNGMMCQRDN-HOCLYGCPSA-N 1 2 332.488 3.872 20 0 EHADLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC(F)F)cc1 ZINC000499269523 1123323522 /nfs/dbraw/zinc/32/35/22/1123323522.db2.gz CAQFADJCUPPRES-UHFFFAOYSA-N 1 2 329.387 3.840 20 0 EHADLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC(F)F)cc1 ZINC000499269523 1123323525 /nfs/dbraw/zinc/32/35/25/1123323525.db2.gz CAQFADJCUPPRES-UHFFFAOYSA-N 1 2 329.387 3.840 20 0 EHADLO CCCCC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920239428 1123346138 /nfs/dbraw/zinc/34/61/38/1123346138.db2.gz GMHJREWGXHLGOM-AWEZNQCLSA-N 1 2 332.423 3.779 20 0 EHADLO CC(C)COc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000920768215 1123422521 /nfs/dbraw/zinc/42/25/21/1123422521.db2.gz QAEGKNGPJAOXSB-SFHVURJKSA-N 1 2 343.471 3.763 20 0 EHADLO C[C@H]1CCc2sc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2C1 ZINC000920768885 1123422533 /nfs/dbraw/zinc/42/25/33/1123422533.db2.gz WOSJNFPESASWAK-SUMWQHHRSA-N 1 2 345.512 3.914 20 0 EHADLO C[C@H](NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921142579 1123476318 /nfs/dbraw/zinc/47/63/18/1123476318.db2.gz FWXOKBLJVANWCC-HNNXBMFYSA-N 1 2 336.464 3.598 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000921305446 1123515500 /nfs/dbraw/zinc/51/55/00/1123515500.db2.gz VGVZIKAWACZCIP-FOWTUZBSSA-N 1 2 349.409 3.790 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccccc1 ZINC000134501944 1123527953 /nfs/dbraw/zinc/52/79/53/1123527953.db2.gz GNPPBQLYBDPNGP-SFHVURJKSA-N 1 2 345.512 3.515 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccccc1 ZINC000134501944 1123527959 /nfs/dbraw/zinc/52/79/59/1123527959.db2.gz GNPPBQLYBDPNGP-SFHVURJKSA-N 1 2 345.512 3.515 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968571 1123554750 /nfs/dbraw/zinc/55/47/50/1123554750.db2.gz LVIGLOWUENURMM-HZPDHXFCSA-N 1 2 334.419 3.609 20 0 EHADLO C[C@@H](OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000089968571 1123554755 /nfs/dbraw/zinc/55/47/55/1123554755.db2.gz LVIGLOWUENURMM-HZPDHXFCSA-N 1 2 334.419 3.609 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Cl)c2cccnc12 ZINC000136187841 1123674965 /nfs/dbraw/zinc/67/49/65/1123674965.db2.gz RPPUOUFXAUFGKM-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000137025910 1123745048 /nfs/dbraw/zinc/74/50/48/1123745048.db2.gz GDQJWHIVVVBJGY-FUHWJXTLSA-N 1 2 344.503 3.792 20 0 EHADLO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000080613233 1123759047 /nfs/dbraw/zinc/75/90/47/1123759047.db2.gz FRZDMPRQXDCAGW-LJQANCHMSA-N 1 2 342.487 3.634 20 0 EHADLO CCc1ccc([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000067990865 1123799825 /nfs/dbraw/zinc/79/98/25/1123799825.db2.gz RSDVXBCEALEMMJ-INIZCTEOSA-N 1 2 333.435 3.855 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000615454997 1123803891 /nfs/dbraw/zinc/80/38/91/1123803891.db2.gz PYCNIDBCADRFKA-CQSZACIVSA-N 1 2 346.833 3.998 20 0 EHADLO CN(C(=O)NCCCn1cc[nH+]c1)C1c2ccccc2-c2ccccc21 ZINC000081468709 1123819510 /nfs/dbraw/zinc/81/95/10/1123819510.db2.gz OYDWXPSCTCYVGT-UHFFFAOYSA-N 1 2 346.434 3.685 20 0 EHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830455 1123869058 /nfs/dbraw/zinc/86/90/58/1123869058.db2.gz IIOKQTOPMMXWNB-UKRRQHHQSA-N 1 2 338.879 3.562 20 0 EHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179830455 1123869064 /nfs/dbraw/zinc/86/90/64/1123869064.db2.gz IIOKQTOPMMXWNB-UKRRQHHQSA-N 1 2 338.879 3.562 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543042372 1129151788 /nfs/dbraw/zinc/15/17/88/1129151788.db2.gz WGOLCJXZCPSXSH-FUHWJXTLSA-N 1 2 332.492 3.664 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245650899 1123911012 /nfs/dbraw/zinc/91/10/12/1123911012.db2.gz DKWFFLRECSKARB-DLBZAZTESA-N 1 2 349.356 3.671 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245650899 1123911015 /nfs/dbraw/zinc/91/10/15/1123911015.db2.gz DKWFFLRECSKARB-DLBZAZTESA-N 1 2 349.356 3.671 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCc2ccccc21 ZINC000180243430 1123968724 /nfs/dbraw/zinc/96/87/24/1123968724.db2.gz HOMPLBLEPAJKGP-SFHVURJKSA-N 1 2 331.843 3.918 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCc2ccccc21 ZINC000180243430 1123968732 /nfs/dbraw/zinc/96/87/32/1123968732.db2.gz HOMPLBLEPAJKGP-SFHVURJKSA-N 1 2 331.843 3.918 20 0 EHADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328407 1123983077 /nfs/dbraw/zinc/98/30/77/1123983077.db2.gz KSCHFHSPHSNBCE-MISYRCLQSA-N 1 2 337.467 3.630 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000068614164 1123990927 /nfs/dbraw/zinc/99/09/27/1123990927.db2.gz TWKQHKHVSYHEPU-OAHLLOKOSA-N 1 2 343.477 3.828 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000068614164 1123990928 /nfs/dbraw/zinc/99/09/28/1123990928.db2.gz TWKQHKHVSYHEPU-OAHLLOKOSA-N 1 2 343.477 3.828 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246086117 1124016259 /nfs/dbraw/zinc/01/62/59/1124016259.db2.gz CFALUZQIHOXRPM-ZBFHGGJFSA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246086117 1124016265 /nfs/dbraw/zinc/01/62/65/1124016265.db2.gz CFALUZQIHOXRPM-ZBFHGGJFSA-N 1 2 326.843 3.777 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1F ZINC000616715225 1124023052 /nfs/dbraw/zinc/02/30/52/1124023052.db2.gz LGGIPSYUJTUVCI-HUUCEWRRSA-N 1 2 345.418 3.726 20 0 EHADLO Cl/C=C(\Cl)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000763479486 1124033252 /nfs/dbraw/zinc/03/32/52/1124033252.db2.gz GVUGWHXZKDMRAN-KAMYIIQDSA-N 1 2 349.689 3.655 20 0 EHADLO CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000617167560 1124096915 /nfs/dbraw/zinc/09/69/15/1124096915.db2.gz JAVOKADIYRUSML-QGZVFWFLSA-N 1 2 325.387 3.533 20 0 EHADLO CC(C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000246709967 1124540592 /nfs/dbraw/zinc/54/05/92/1124540592.db2.gz XWRXZSVQNTUYSZ-KFKAGJAMSA-N 1 2 340.471 3.846 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246996080 1124576321 /nfs/dbraw/zinc/57/63/21/1124576321.db2.gz KRBMGQZOXNOYIM-MAUKXSAKSA-N 1 2 341.455 3.732 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246996080 1124576327 /nfs/dbraw/zinc/57/63/27/1124576327.db2.gz KRBMGQZOXNOYIM-MAUKXSAKSA-N 1 2 341.455 3.732 20 0 EHADLO O=C(O[C@H](c1ncccn1)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181190212 1124623429 /nfs/dbraw/zinc/62/34/29/1124623429.db2.gz WQJDFRSMPVRQPR-SFHVURJKSA-N 1 2 348.406 3.751 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000248342706 1124650464 /nfs/dbraw/zinc/65/04/64/1124650464.db2.gz JRYHHQJKGATRSA-KUHUBIRLSA-N 1 2 340.471 3.578 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)n(C(C)(C)C)n1 ZINC000248342706 1124650466 /nfs/dbraw/zinc/65/04/66/1124650466.db2.gz JRYHHQJKGATRSA-KUHUBIRLSA-N 1 2 340.471 3.578 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+]3C[C@@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000248343381 1124651024 /nfs/dbraw/zinc/65/10/24/1124651024.db2.gz KFUNHFGIVUTAFK-AUUYWEPGSA-N 1 2 335.407 3.938 20 0 EHADLO COc1ccc(-c2noc(C[N@H+]3C[C@@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000248343381 1124651027 /nfs/dbraw/zinc/65/10/27/1124651027.db2.gz KFUNHFGIVUTAFK-AUUYWEPGSA-N 1 2 335.407 3.938 20 0 EHADLO CC(C)Cn1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000248384299 1124653694 /nfs/dbraw/zinc/65/36/94/1124653694.db2.gz DKDWNSZPOHSASZ-KXBFYZLASA-N 1 2 331.435 3.640 20 0 EHADLO CC(C)Cn1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000248384299 1124653695 /nfs/dbraw/zinc/65/36/95/1124653695.db2.gz DKDWNSZPOHSASZ-KXBFYZLASA-N 1 2 331.435 3.640 20 0 EHADLO CC(C)C[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248393977 1124655923 /nfs/dbraw/zinc/65/59/23/1124655923.db2.gz MNIPUXOAGWOTKU-ZACQAIPSSA-N 1 2 332.488 3.917 20 0 EHADLO CC(C)C[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248393977 1124655924 /nfs/dbraw/zinc/65/59/24/1124655924.db2.gz MNIPUXOAGWOTKU-ZACQAIPSSA-N 1 2 332.488 3.917 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000248560249 1124673350 /nfs/dbraw/zinc/67/33/50/1124673350.db2.gz MQYIUYLIGBLGPU-JKSUJKDBSA-N 1 2 341.398 3.619 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)O1 ZINC000248560249 1124673354 /nfs/dbraw/zinc/67/33/54/1124673354.db2.gz MQYIUYLIGBLGPU-JKSUJKDBSA-N 1 2 341.398 3.619 20 0 EHADLO CC(C)[C@H]1N(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC12CCCCCC2 ZINC000827993872 1124679971 /nfs/dbraw/zinc/67/99/71/1124679971.db2.gz LIWQYEBLGVZUKF-FUHWJXTLSA-N 1 2 329.488 3.653 20 0 EHADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000248890795 1124713067 /nfs/dbraw/zinc/71/30/67/1124713067.db2.gz SPQQHHIOCSIZPY-DJIMGWMZSA-N 1 2 343.471 3.903 20 0 EHADLO Cc1cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000734835507 1131284160 /nfs/dbraw/zinc/28/41/60/1131284160.db2.gz XEOGHRXBIGFHIU-OAHLLOKOSA-N 1 2 346.475 3.864 20 0 EHADLO Cc1cc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000734834700 1131284716 /nfs/dbraw/zinc/28/47/16/1131284716.db2.gz DKYHTERGAQXTIL-AWEZNQCLSA-N 1 2 346.475 3.721 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000090141397 1124896415 /nfs/dbraw/zinc/89/64/15/1124896415.db2.gz YOHVSQWUGRCAPD-UHFFFAOYSA-N 1 2 347.462 3.829 20 0 EHADLO CCCCc1nc(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)no1 ZINC000090619906 1124928743 /nfs/dbraw/zinc/92/87/43/1124928743.db2.gz VSKITRRFZSSNDD-OAHLLOKOSA-N 1 2 331.460 3.731 20 0 EHADLO CCCCc1nc(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)no1 ZINC000090619906 1124928751 /nfs/dbraw/zinc/92/87/51/1124928751.db2.gz VSKITRRFZSSNDD-OAHLLOKOSA-N 1 2 331.460 3.731 20 0 EHADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C ZINC000251901617 1124954243 /nfs/dbraw/zinc/95/42/43/1124954243.db2.gz QZPDEULWUGVSTK-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C ZINC000251901617 1124954247 /nfs/dbraw/zinc/95/42/47/1124954247.db2.gz QZPDEULWUGVSTK-ZIBATOQPSA-N 1 2 345.270 3.677 20 0 EHADLO Cc1cncc(CC[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000649559286 1125134693 /nfs/dbraw/zinc/13/46/93/1125134693.db2.gz XDXMWXMBOIZGQD-UHFFFAOYSA-N 1 2 326.831 3.521 20 0 EHADLO Cc1cncc(CC[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000649559286 1125134697 /nfs/dbraw/zinc/13/46/97/1125134697.db2.gz XDXMWXMBOIZGQD-UHFFFAOYSA-N 1 2 326.831 3.521 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3ncn(-c4ccccc4)n3)CCCC2)cc1 ZINC000092803725 1125162679 /nfs/dbraw/zinc/16/26/79/1125162679.db2.gz IADMLFYIQMOUSP-UHFFFAOYSA-N 1 2 336.414 3.966 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000093417106 1125244201 /nfs/dbraw/zinc/24/42/01/1125244201.db2.gz YRSLONVOMRYUOZ-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000093417106 1125244207 /nfs/dbraw/zinc/24/42/07/1125244207.db2.gz YRSLONVOMRYUOZ-CQSZACIVSA-N 1 2 337.510 3.670 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1ccccc1COC)c1ccccc1 ZINC000182497582 1125316670 /nfs/dbraw/zinc/31/66/70/1125316670.db2.gz RYJGVLXUYAOWIQ-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccccc1COC)c1ccccc1 ZINC000182497582 1125316676 /nfs/dbraw/zinc/31/66/76/1125316676.db2.gz RYJGVLXUYAOWIQ-IBGZPJMESA-N 1 2 327.424 3.569 20 0 EHADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCC(F)CC1 ZINC000619955291 1125435701 /nfs/dbraw/zinc/43/57/01/1125435701.db2.gz ZCNMJUCYNJDQHA-HRSCSKTISA-N 1 2 343.446 3.965 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000114821246 1129196905 /nfs/dbraw/zinc/19/69/05/1129196905.db2.gz ADIVNKOPMXDTNG-GOSISDBHSA-N 1 2 344.503 3.650 20 0 EHADLO Brc1ccc(/C=C\C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000453318273 1129199202 /nfs/dbraw/zinc/19/92/02/1129199202.db2.gz LHTHJPATHOETNM-GWQWAINWSA-N 1 2 332.245 3.853 20 0 EHADLO CCc1nc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cs1 ZINC000066899255 1129221295 /nfs/dbraw/zinc/22/12/95/1129221295.db2.gz WEOGPMNQABXXIV-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1nc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cs1 ZINC000066899255 1129221300 /nfs/dbraw/zinc/22/13/00/1129221300.db2.gz WEOGPMNQABXXIV-OAHLLOKOSA-N 1 2 330.453 3.814 20 0 EHADLO CSCCc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000067854677 1129314428 /nfs/dbraw/zinc/31/44/28/1129314428.db2.gz NNXABGHUXCZODT-UHFFFAOYSA-N 1 2 339.464 3.729 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265836098 1129322198 /nfs/dbraw/zinc/32/21/98/1129322198.db2.gz UKXAYWCXEXAHDY-ROUUACIJSA-N 1 2 325.456 3.631 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000543209400 1129343251 /nfs/dbraw/zinc/34/32/51/1129343251.db2.gz MENQGHCAKRWLNV-CYBMUJFWSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000543209400 1129343255 /nfs/dbraw/zinc/34/32/55/1129343255.db2.gz MENQGHCAKRWLNV-CYBMUJFWSA-N 1 2 336.501 3.964 20 0 EHADLO CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000080420827 1129354834 /nfs/dbraw/zinc/35/48/34/1129354834.db2.gz CXLVUQSJVRCUCV-UHFFFAOYSA-N 1 2 335.407 3.891 20 0 EHADLO CCC[C@H](Cc1ccccc1)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000068706101 1129391002 /nfs/dbraw/zinc/39/10/02/1129391002.db2.gz ALPJKESJTUUFMK-GOSISDBHSA-N 1 2 335.451 3.713 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000081325046 1129414162 /nfs/dbraw/zinc/41/41/62/1129414162.db2.gz SORNUWQQTNPLEB-HXUWFJFHSA-N 1 2 347.462 3.843 20 0 EHADLO Cc1nc(NC[C@H](CO)c2ccc(Cl)cc2)c2c([nH+]1)CCCC2 ZINC000673476503 1129453098 /nfs/dbraw/zinc/45/30/98/1129453098.db2.gz WEMBEDTUMVQTLA-CQSZACIVSA-N 1 2 331.847 3.505 20 0 EHADLO OCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)o1 ZINC000543413873 1129473962 /nfs/dbraw/zinc/47/39/62/1129473962.db2.gz CBDWUUMPPHNQBS-LBPRGKRZSA-N 1 2 342.258 3.933 20 0 EHADLO OCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)o1 ZINC000543413873 1129473964 /nfs/dbraw/zinc/47/39/64/1129473964.db2.gz CBDWUUMPPHNQBS-LBPRGKRZSA-N 1 2 342.258 3.933 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347714530 1129479315 /nfs/dbraw/zinc/47/93/15/1129479315.db2.gz DPJLNZITTBTIRC-CQSZACIVSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347714530 1129479317 /nfs/dbraw/zinc/47/93/17/1129479317.db2.gz DPJLNZITTBTIRC-CQSZACIVSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc[nH+]c1N ZINC000922471639 1129544663 /nfs/dbraw/zinc/54/46/63/1129544663.db2.gz HWYGSESWFTYSLB-NSHDSACASA-N 1 2 338.329 3.605 20 0 EHADLO CCc1cccc2cc(C[NH2+]Cc3nc(CN(C)C)cs3)oc21 ZINC000922487942 1129549895 /nfs/dbraw/zinc/54/98/95/1129549895.db2.gz YGVSKFZNMKKOLP-UHFFFAOYSA-N 1 2 329.469 3.803 20 0 EHADLO Cn1c2ccc(CNc3[nH+]c4ccccc4n3CC3CC3)cc2oc1=O ZINC000922560594 1129570481 /nfs/dbraw/zinc/57/04/81/1129570481.db2.gz RDCFXCBKCUAZDD-UHFFFAOYSA-N 1 2 348.406 3.503 20 0 EHADLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922575664 1129577805 /nfs/dbraw/zinc/57/78/05/1129577805.db2.gz DEAALOZWMOMWDO-NVXWUHKLSA-N 1 2 334.460 3.863 20 0 EHADLO CC[C@H](C)Oc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC ZINC000922578928 1129579905 /nfs/dbraw/zinc/57/99/05/1129579905.db2.gz FSJDJGMCPFAOSV-LIRRHRJNSA-N 1 2 341.455 3.903 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499958398 1129592159 /nfs/dbraw/zinc/59/21/59/1129592159.db2.gz WMGNGIWEFWFYBP-CQSZACIVSA-N 1 2 344.213 3.964 20 0 EHADLO FC(F)COCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347729248 1129643578 /nfs/dbraw/zinc/64/35/78/1129643578.db2.gz IAAOXZKYLAFNKV-ZDUSSCGKSA-N 1 2 329.778 3.635 20 0 EHADLO FC(F)COCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347729248 1129643579 /nfs/dbraw/zinc/64/35/79/1129643579.db2.gz IAAOXZKYLAFNKV-ZDUSSCGKSA-N 1 2 329.778 3.635 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)c(C)[nH+]1 ZINC000922775118 1129657131 /nfs/dbraw/zinc/65/71/31/1129657131.db2.gz LCUCPPMSSJVDGC-GOSISDBHSA-N 1 2 330.472 3.676 20 0 EHADLO Nc1ccc(COC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c[nH+]1 ZINC000922775709 1129657490 /nfs/dbraw/zinc/65/74/90/1129657490.db2.gz LBSXBAIJSFGGJG-JSGCOSHPSA-N 1 2 334.778 3.693 20 0 EHADLO COc1cc([C@H](C)Nc2cc3ccccc3c[nH+]2)ccc1OCCO ZINC000631067872 1129659285 /nfs/dbraw/zinc/65/92/85/1129659285.db2.gz ULGVSOUXEJZBOO-AWEZNQCLSA-N 1 2 338.407 3.788 20 0 EHADLO CCCCCCN(Cc1ccc(C)o1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000922820482 1129681204 /nfs/dbraw/zinc/68/12/04/1129681204.db2.gz FWQDHPIBUIESDM-UHFFFAOYSA-N 1 2 346.475 3.656 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[S@]1=O ZINC000347753486 1129686428 /nfs/dbraw/zinc/68/64/28/1129686428.db2.gz KKLGZNDPBNOWDQ-HSZRJFAPSA-N 1 2 335.513 3.523 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[S@]1=O ZINC000347753486 1129686431 /nfs/dbraw/zinc/68/64/31/1129686431.db2.gz KKLGZNDPBNOWDQ-HSZRJFAPSA-N 1 2 335.513 3.523 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000347751829 1129688100 /nfs/dbraw/zinc/68/81/00/1129688100.db2.gz JSJSZCLKNUDVIS-FQEVSTJZSA-N 1 2 325.408 3.507 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000347751829 1129688102 /nfs/dbraw/zinc/68/81/02/1129688102.db2.gz JSJSZCLKNUDVIS-FQEVSTJZSA-N 1 2 325.408 3.507 20 0 EHADLO Oc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1Br ZINC000922876650 1129700103 /nfs/dbraw/zinc/70/01/03/1129700103.db2.gz YKQGRQSDGMHVCD-CYBMUJFWSA-N 1 2 333.229 3.717 20 0 EHADLO Cc1ccnc(C[NH2+][C@@H]2CCCc3cccnc32)c1Br ZINC000922877404 1129700860 /nfs/dbraw/zinc/70/08/60/1129700860.db2.gz FDUWHQBZJLGHFN-CYBMUJFWSA-N 1 2 332.245 3.715 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CC)c2C1 ZINC000429044409 1129719101 /nfs/dbraw/zinc/71/91/01/1129719101.db2.gz JRDYZLSVFSLJNW-UHFFFAOYSA-N 1 2 339.483 3.779 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CC)c2C1 ZINC000429044409 1129719104 /nfs/dbraw/zinc/71/91/04/1129719104.db2.gz JRDYZLSVFSLJNW-UHFFFAOYSA-N 1 2 339.483 3.779 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3coc(-c4ccccc4F)n3)CC2)n1 ZINC000625100306 1129732373 /nfs/dbraw/zinc/73/23/73/1129732373.db2.gz AVDOUFJWANIQGD-UHFFFAOYSA-N 1 2 342.374 3.552 20 0 EHADLO C[C@]1(c2ccccc2)CC(=O)N(C[N@H+](Cc2cccs2)C2CC2)C1 ZINC000186665948 1129740381 /nfs/dbraw/zinc/74/03/81/1129740381.db2.gz FDVBDDVSEKTGHZ-FQEVSTJZSA-N 1 2 340.492 3.860 20 0 EHADLO C[C@]1(c2ccccc2)CC(=O)N(C[N@@H+](Cc2cccs2)C2CC2)C1 ZINC000186665948 1129740385 /nfs/dbraw/zinc/74/03/85/1129740385.db2.gz FDVBDDVSEKTGHZ-FQEVSTJZSA-N 1 2 340.492 3.860 20 0 EHADLO CCC[N@H+](Cc1cc(CO)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000625238916 1129779449 /nfs/dbraw/zinc/77/94/49/1129779449.db2.gz DZNSMGODEISLAU-OAHLLOKOSA-N 1 2 344.430 3.557 20 0 EHADLO CCC[N@@H+](Cc1cc(CO)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000625238916 1129779452 /nfs/dbraw/zinc/77/94/52/1129779452.db2.gz DZNSMGODEISLAU-OAHLLOKOSA-N 1 2 344.430 3.557 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000625243574 1129779474 /nfs/dbraw/zinc/77/94/74/1129779474.db2.gz ZGPKISSVHAJYAK-CQSZACIVSA-N 1 2 337.345 3.688 20 0 EHADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000673692070 1129795836 /nfs/dbraw/zinc/79/58/36/1129795836.db2.gz UNPKYXBYMWAWNR-MRXNPFEDSA-N 1 2 334.423 3.603 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cccc(Cl)c3Cl)[nH+]c12 ZINC000673723230 1129810706 /nfs/dbraw/zinc/81/07/06/1129810706.db2.gz SZGQCRFPKQSIKS-UHFFFAOYSA-N 1 2 348.233 3.922 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C(C)(C)c3ccccc3C)[nH+]c12 ZINC000673726652 1129812291 /nfs/dbraw/zinc/81/22/91/1129812291.db2.gz YAAJBSHXCPWRRX-UHFFFAOYSA-N 1 2 335.451 3.588 20 0 EHADLO CC[C@@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673726239 1129813031 /nfs/dbraw/zinc/81/30/31/1129813031.db2.gz UCBYWBWKHHBWRG-KRWDZBQOSA-N 1 2 335.451 3.885 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@H](C)c3cccs3)[nH+]c12 ZINC000673780009 1129842936 /nfs/dbraw/zinc/84/29/36/1129842936.db2.gz RPMWVKBJNXRRSG-CQSZACIVSA-N 1 2 342.468 3.649 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)c1c[nH]c2ccc(F)cc12 ZINC000625371696 1129848457 /nfs/dbraw/zinc/84/84/57/1129848457.db2.gz VYAQCRCTUIOPPW-SNVBAGLBSA-N 1 2 328.309 3.764 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)c1c[nH]c2ccc(F)cc12 ZINC000625371696 1129848463 /nfs/dbraw/zinc/84/84/63/1129848463.db2.gz VYAQCRCTUIOPPW-SNVBAGLBSA-N 1 2 328.309 3.764 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381662 1129851358 /nfs/dbraw/zinc/85/13/58/1129851358.db2.gz HRVWJRDZFWFUSS-WPRPVWTQSA-N 1 2 338.732 3.690 20 0 EHADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625381662 1129851360 /nfs/dbraw/zinc/85/13/60/1129851360.db2.gz HRVWJRDZFWFUSS-WPRPVWTQSA-N 1 2 338.732 3.690 20 0 EHADLO C[N@@H+]1CC[C@@H](NCc2noc(C3CCC3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000625439269 1129872011 /nfs/dbraw/zinc/87/20/11/1129872011.db2.gz DZHCWLMEECFRET-WBVHZDCISA-N 1 2 346.862 3.526 20 0 EHADLO C[N@H+]1CC[C@@H](NCc2noc(C3CCC3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000625439269 1129872015 /nfs/dbraw/zinc/87/20/15/1129872015.db2.gz DZHCWLMEECFRET-WBVHZDCISA-N 1 2 346.862 3.526 20 0 EHADLO C[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccncc1 ZINC000282459690 1129890581 /nfs/dbraw/zinc/89/05/81/1129890581.db2.gz KVLXQUJXQQPRCO-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)Cc1ccncc1 ZINC000282459690 1129890583 /nfs/dbraw/zinc/89/05/83/1129890583.db2.gz KVLXQUJXQQPRCO-UHFFFAOYSA-N 1 2 334.445 3.517 20 0 EHADLO C[C@@H]([NH2+]CCOCc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000673893152 1129898744 /nfs/dbraw/zinc/89/87/44/1129898744.db2.gz BIVATFGHWDVRCJ-MRXNPFEDSA-N 1 2 337.423 3.528 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cn1 ZINC000543504695 1129907856 /nfs/dbraw/zinc/90/78/56/1129907856.db2.gz YWLPXGHUGVNBQU-CQSZACIVSA-N 1 2 341.484 3.937 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccccc2C)c1C ZINC000057604883 1129909987 /nfs/dbraw/zinc/90/99/87/1129909987.db2.gz BRMAUWGYEWNAKS-MRXNPFEDSA-N 1 2 341.455 3.918 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000674009758 1129956692 /nfs/dbraw/zinc/95/66/92/1129956692.db2.gz LEQRRBSLICVLFZ-LZQZEXGQSA-N 1 2 330.447 3.754 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000674009758 1129956694 /nfs/dbraw/zinc/95/66/94/1129956694.db2.gz LEQRRBSLICVLFZ-LZQZEXGQSA-N 1 2 330.447 3.754 20 0 EHADLO O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000674023277 1129967091 /nfs/dbraw/zinc/96/70/91/1129967091.db2.gz HJIYKNUKDDJDIG-UHFFFAOYSA-N 1 2 332.310 3.622 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nnc1C1CCC1 ZINC000625655387 1129967423 /nfs/dbraw/zinc/96/74/23/1129967423.db2.gz GGWLJSJKPXRFHZ-HNNXBMFYSA-N 1 2 346.425 3.740 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nnc1C1CCC1 ZINC000625655387 1129967425 /nfs/dbraw/zinc/96/74/25/1129967425.db2.gz GGWLJSJKPXRFHZ-HNNXBMFYSA-N 1 2 346.425 3.740 20 0 EHADLO Clc1cccnc1C1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000429211867 1129979250 /nfs/dbraw/zinc/97/92/50/1129979250.db2.gz YYRSKUZVJXXWMR-UHFFFAOYSA-N 1 2 344.802 3.758 20 0 EHADLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)Nc1ccc(F)cc1 ZINC000429209741 1129979678 /nfs/dbraw/zinc/97/96/78/1129979678.db2.gz FQGLEYUFUMPFIV-UHFFFAOYSA-N 1 2 347.821 3.692 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c(Cl)c1 ZINC000674231891 1130031760 /nfs/dbraw/zinc/03/17/60/1130031760.db2.gz KEEDTKOQXCHJLI-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO COc1ccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c(Cl)c1 ZINC000674231891 1130031764 /nfs/dbraw/zinc/03/17/64/1130031764.db2.gz KEEDTKOQXCHJLI-UHFFFAOYSA-N 1 2 344.842 3.865 20 0 EHADLO C[C@H](OCC1CC1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000140927641 1130098825 /nfs/dbraw/zinc/09/88/25/1130098825.db2.gz JCMDLMGOWBPGSP-AWEZNQCLSA-N 1 2 339.439 3.640 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674682810 1130172867 /nfs/dbraw/zinc/17/28/67/1130172867.db2.gz ARNLFUGPGRNHJW-QGZVFWFLSA-N 1 2 345.874 3.969 20 0 EHADLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(N2CCCC2)c1 ZINC000674852155 1130207941 /nfs/dbraw/zinc/20/79/41/1130207941.db2.gz AQRDKYNRCWODNT-HNNXBMFYSA-N 1 2 349.438 3.817 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000674913517 1130223505 /nfs/dbraw/zinc/22/35/05/1130223505.db2.gz BPMHKVJNKLGTHS-RTWAWAEBSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000674913517 1130223509 /nfs/dbraw/zinc/22/35/09/1130223509.db2.gz BPMHKVJNKLGTHS-RTWAWAEBSA-N 1 2 339.435 3.859 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674940344 1130227906 /nfs/dbraw/zinc/22/79/06/1130227906.db2.gz LRMZLWCTEZNPLL-KBAYOESNSA-N 1 2 340.471 3.582 20 0 EHADLO CC(C)c1cccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000675562106 1130424155 /nfs/dbraw/zinc/42/41/55/1130424155.db2.gz FWKOHVCLHJGGOS-IBGZPJMESA-N 1 2 348.450 3.652 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H](CC1CC1)c1ccccc1 ZINC000675576851 1130428400 /nfs/dbraw/zinc/42/84/00/1130428400.db2.gz SWWZUVQVGSVOFK-GOSISDBHSA-N 1 2 334.423 3.675 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ncnc4sccc43)ccc21 ZINC001129119729 1130506625 /nfs/dbraw/zinc/50/66/25/1130506625.db2.gz DVMLRORFADPCNS-UHFFFAOYSA-N 1 2 349.419 3.558 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000676041190 1130522630 /nfs/dbraw/zinc/52/26/30/1130522630.db2.gz DPKJWTXENUWELL-UHFFFAOYSA-N 1 2 348.468 3.786 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000676041190 1130522635 /nfs/dbraw/zinc/52/26/35/1130522635.db2.gz DPKJWTXENUWELL-UHFFFAOYSA-N 1 2 348.468 3.786 20 0 EHADLO CC(C)(C)c1ccc(C[NH2+]Cc2n[nH]cc2Br)s1 ZINC000676239573 1130550208 /nfs/dbraw/zinc/55/02/08/1130550208.db2.gz IPGKLMGAFSFIAG-UHFFFAOYSA-N 1 2 328.279 3.821 20 0 EHADLO Cc1cc2cc(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)oc2cc1C ZINC000535275902 1130588197 /nfs/dbraw/zinc/58/81/97/1130588197.db2.gz NTHAYJKWRXZFGW-GOSISDBHSA-N 1 2 334.419 3.966 20 0 EHADLO Cc1cc2cc(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)oc2cc1C ZINC000535275902 1130588200 /nfs/dbraw/zinc/58/82/00/1130588200.db2.gz NTHAYJKWRXZFGW-GOSISDBHSA-N 1 2 334.419 3.966 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000729985351 1130662384 /nfs/dbraw/zinc/66/23/84/1130662384.db2.gz LWCGYRAROIWLTI-QGZVFWFLSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000729985351 1130662389 /nfs/dbraw/zinc/66/23/89/1130662389.db2.gz LWCGYRAROIWLTI-QGZVFWFLSA-N 1 2 342.512 3.970 20 0 EHADLO CC(C)c1ccc2cc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000730832258 1130745675 /nfs/dbraw/zinc/74/56/75/1130745675.db2.gz IHSSVRPDXAMJOY-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO COc1cccc(C2CC[NH+](CC(=O)OCc3ccccc3)CC2)c1 ZINC000731031114 1130761952 /nfs/dbraw/zinc/76/19/52/1130761952.db2.gz QOPGENXITNHOEB-UHFFFAOYSA-N 1 2 339.435 3.618 20 0 EHADLO S=c1n2ccccc2nn1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000732187169 1130892351 /nfs/dbraw/zinc/89/23/51/1130892351.db2.gz PBUJAKXJFPWUHH-AWEZNQCLSA-N 1 2 344.871 3.966 20 0 EHADLO S=c1n2ccccc2nn1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000732187169 1130892357 /nfs/dbraw/zinc/89/23/57/1130892357.db2.gz PBUJAKXJFPWUHH-AWEZNQCLSA-N 1 2 344.871 3.966 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000732212404 1130897602 /nfs/dbraw/zinc/89/76/02/1130897602.db2.gz YQDZCXCMBQANSL-XBFDIVRLSA-N 1 2 343.492 3.645 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000732212404 1130897609 /nfs/dbraw/zinc/89/76/09/1130897609.db2.gz YQDZCXCMBQANSL-XBFDIVRLSA-N 1 2 343.492 3.645 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cn2c1 ZINC000732412009 1130925443 /nfs/dbraw/zinc/92/54/43/1130925443.db2.gz AVCKPJPOKZXVGO-LZJOCLMNSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1ccc2nc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cn2c1 ZINC000732412009 1130925446 /nfs/dbraw/zinc/92/54/46/1130925446.db2.gz AVCKPJPOKZXVGO-LZJOCLMNSA-N 1 2 335.451 3.993 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H]2CCc3ccccc3C2)c1C ZINC000732538008 1130933436 /nfs/dbraw/zinc/93/34/36/1130933436.db2.gz HHUVYHGKOQBZJB-INIZCTEOSA-N 1 2 338.451 3.518 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n1 ZINC000732954773 1130972149 /nfs/dbraw/zinc/97/21/49/1130972149.db2.gz OZFITBJNNRMEMD-HIFRSBDPSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000733291242 1131022374 /nfs/dbraw/zinc/02/23/74/1131022374.db2.gz GTJFLYOSDBJIMU-SJCJKPOMSA-N 1 2 332.494 3.583 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000733291242 1131022378 /nfs/dbraw/zinc/02/23/78/1131022378.db2.gz GTJFLYOSDBJIMU-SJCJKPOMSA-N 1 2 332.494 3.583 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000347940238 1131095400 /nfs/dbraw/zinc/09/54/00/1131095400.db2.gz DGBCAQOKJWRGDQ-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000347940238 1131095404 /nfs/dbraw/zinc/09/54/04/1131095404.db2.gz DGBCAQOKJWRGDQ-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO COCC[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccco1 ZINC000348054066 1131130359 /nfs/dbraw/zinc/13/03/59/1131130359.db2.gz UQNRQIFHICGFKE-INIZCTEOSA-N 1 2 330.359 3.941 20 0 EHADLO Cc1cccn2c(CNc3ccc(Oc4cccnc4)nc3)c[nH+]c12 ZINC000348039848 1131134366 /nfs/dbraw/zinc/13/43/66/1131134366.db2.gz LNTZFUMYSSQSEB-UHFFFAOYSA-N 1 2 331.379 3.837 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCc3ccc(Br)cc32)n1 ZINC000348070216 1131139067 /nfs/dbraw/zinc/13/90/67/1131139067.db2.gz CZZANWHDDZMDMD-YMTOWFKASA-N 1 2 336.233 3.869 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1OC(F)(F)F ZINC000282699732 1131151299 /nfs/dbraw/zinc/15/12/99/1131151299.db2.gz KVKPQAZJNLGSFN-LLVKDONJSA-N 1 2 342.365 3.783 20 0 EHADLO CC[N@H+](Cn1nc(COc2cccc(C)c2)oc1=S)C1CCC1 ZINC000738052973 1131460974 /nfs/dbraw/zinc/46/09/74/1131460974.db2.gz GAOKFWJQOHBTBP-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO CC[N@@H+](Cn1nc(COc2cccc(C)c2)oc1=S)C1CCC1 ZINC000738052973 1131460977 /nfs/dbraw/zinc/46/09/77/1131460977.db2.gz GAOKFWJQOHBTBP-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059841 1131462171 /nfs/dbraw/zinc/46/21/71/1131462171.db2.gz ZCQSOBKCSHJNHG-GOEBONIOSA-N 1 2 331.489 3.656 20 0 EHADLO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1nnn(-c2ccccc2)c1=S ZINC000738059841 1131462174 /nfs/dbraw/zinc/46/21/74/1131462174.db2.gz ZCQSOBKCSHJNHG-GOEBONIOSA-N 1 2 331.489 3.656 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+](C)C[C@H]3CCCO3)c2=S)cc1C ZINC000738062460 1131462243 /nfs/dbraw/zinc/46/22/43/1131462243.db2.gz ZCUOFEUUVAWNJJ-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+](C)C[C@H]3CCCO3)c2=S)cc1C ZINC000738062460 1131462246 /nfs/dbraw/zinc/46/22/46/1131462246.db2.gz ZCUOFEUUVAWNJJ-QGZVFWFLSA-N 1 2 331.485 3.693 20 0 EHADLO COc1ccc2cc(CNC(=O)Nc3ccc4[nH+]ccn4c3)ccc2c1 ZINC000738951561 1131490517 /nfs/dbraw/zinc/49/05/17/1131490517.db2.gz XPGZLJCVLVCLNP-UHFFFAOYSA-N 1 2 346.390 3.818 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCSC[C@H]1c1ccccc1 ZINC000738949359 1131490657 /nfs/dbraw/zinc/49/06/57/1131490657.db2.gz MOQLXBMWBFGRBQ-INIZCTEOSA-N 1 2 338.436 3.656 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)COc3ccc(C)cc3)ccc2[nH+]1 ZINC000738918432 1131491371 /nfs/dbraw/zinc/49/13/71/1131491371.db2.gz BLEYTNHNDQHDOX-OAHLLOKOSA-N 1 2 338.411 3.540 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](Cc2ccccc2)C(C)C)c1C ZINC000739534648 1131507159 /nfs/dbraw/zinc/50/71/59/1131507159.db2.gz NFRODUVKASCFTQ-SFHVURJKSA-N 1 2 340.467 3.838 20 0 EHADLO Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC000741031470 1131567251 /nfs/dbraw/zinc/56/72/51/1131567251.db2.gz RCYYYIWBGGADIK-IAGOWNOFSA-N 1 2 331.456 3.682 20 0 EHADLO CC(C)[C@H](OC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)c1ccccc1 ZINC000741022181 1131570450 /nfs/dbraw/zinc/57/04/50/1131570450.db2.gz QTQOQQWTFGYEMV-OLMMMNRUSA-N 1 2 331.456 3.698 20 0 EHADLO CC(C)[C@H](OC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)c1ccccc1 ZINC000741022181 1131570453 /nfs/dbraw/zinc/57/04/53/1131570453.db2.gz QTQOQQWTFGYEMV-OLMMMNRUSA-N 1 2 331.456 3.698 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149094 1131584153 /nfs/dbraw/zinc/58/41/53/1131584153.db2.gz NIPIWAQWUAGYNL-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000741149094 1131584155 /nfs/dbraw/zinc/58/41/55/1131584155.db2.gz NIPIWAQWUAGYNL-GOEBONIOSA-N 1 2 343.427 3.524 20 0 EHADLO CCCCCC[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741889546 1131660647 /nfs/dbraw/zinc/66/06/47/1131660647.db2.gz QHZXZIWQWXHNSF-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO CCCCCC[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741889546 1131660650 /nfs/dbraw/zinc/66/06/50/1131660650.db2.gz QHZXZIWQWXHNSF-UYAOXDASSA-N 1 2 346.515 3.610 20 0 EHADLO S=C(Nc1ccccc1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741873182 1131662195 /nfs/dbraw/zinc/66/21/95/1131662195.db2.gz COCKEEWSDGNQEV-QGZVFWFLSA-N 1 2 334.448 3.884 20 0 EHADLO C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000742056452 1131684330 /nfs/dbraw/zinc/68/43/30/1131684330.db2.gz UXGHHXSORNNMMR-CZUORRHYSA-N 1 2 333.863 3.871 20 0 EHADLO COCCn1cnn(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742156204 1131694797 /nfs/dbraw/zinc/69/47/97/1131694797.db2.gz GAQSPNQGCATQNS-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO COCCn1cnn(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742156204 1131694799 /nfs/dbraw/zinc/69/47/99/1131694799.db2.gz GAQSPNQGCATQNS-QGZVFWFLSA-N 1 2 346.500 3.554 20 0 EHADLO CCC1(O)CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000742176767 1131697395 /nfs/dbraw/zinc/69/73/95/1131697395.db2.gz WLJREHLAEGDFFR-UHFFFAOYSA-N 1 2 335.498 3.535 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1ccccc1F ZINC000742238551 1131699811 /nfs/dbraw/zinc/69/98/11/1131699811.db2.gz HRMDNMNEVIXUHW-ZDUSSCGKSA-N 1 2 342.405 3.507 20 0 EHADLO C[C@@H](CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1ccccc1F ZINC000742238551 1131699812 /nfs/dbraw/zinc/69/98/12/1131699812.db2.gz HRMDNMNEVIXUHW-ZDUSSCGKSA-N 1 2 342.405 3.507 20 0 EHADLO CC(C)OCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172430717 1131724464 /nfs/dbraw/zinc/72/44/64/1131724464.db2.gz HZCMBCZQQUSQEX-AEFFLSMTSA-N 1 2 335.488 3.733 20 0 EHADLO CCCCC[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000742581472 1131754467 /nfs/dbraw/zinc/75/44/67/1131754467.db2.gz SXAIFNWQKGKTGI-SFHVURJKSA-N 1 2 345.531 3.979 20 0 EHADLO CCCCCC[C@H](CCCC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172517543 1131765479 /nfs/dbraw/zinc/76/54/79/1131765479.db2.gz RXCMKDQDRGPMOF-HOTGVXAUSA-N 1 2 342.524 3.691 20 0 EHADLO CSCC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC(C)C ZINC001172555113 1131768284 /nfs/dbraw/zinc/76/82/84/1131768284.db2.gz GHNHKFQVOMPUIR-KURKYZTESA-N 1 2 335.513 3.986 20 0 EHADLO COCc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)[C@H]2C ZINC001172558270 1131770246 /nfs/dbraw/zinc/77/02/46/1131770246.db2.gz IERCNAQMRDJOMD-JQHSSLGASA-N 1 2 325.456 3.742 20 0 EHADLO COCc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)[C@H]2C ZINC001172558270 1131770251 /nfs/dbraw/zinc/77/02/51/1131770251.db2.gz IERCNAQMRDJOMD-JQHSSLGASA-N 1 2 325.456 3.742 20 0 EHADLO OCCc1ccc2c(c1)O[C@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)C1)O2 ZINC001172546978 1131783573 /nfs/dbraw/zinc/78/35/73/1131783573.db2.gz TZAVNPRGGXOUCW-LVCYWYKZSA-N 1 2 339.435 3.592 20 0 EHADLO CC(C)(C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1)c1ccccc1 ZINC000180630228 1131791661 /nfs/dbraw/zinc/79/16/61/1131791661.db2.gz NLLSYJAXWYBDKR-UHFFFAOYSA-N 1 2 332.451 3.739 20 0 EHADLO CC(C)(C[N@H+]1CCn2c(nnc2-c2ccccc2)C1)c1ccccc1 ZINC000180630228 1131791667 /nfs/dbraw/zinc/79/16/67/1131791667.db2.gz NLLSYJAXWYBDKR-UHFFFAOYSA-N 1 2 332.451 3.739 20 0 EHADLO CCCC[C@@H]1C[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001172642131 1131798254 /nfs/dbraw/zinc/79/82/54/1131798254.db2.gz MJJXQLGPWUTTEK-ZJIFWQFVSA-N 1 2 346.462 3.937 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000742858522 1131807446 /nfs/dbraw/zinc/80/74/46/1131807446.db2.gz MYLZTTXLAOJAEV-DOOKAGJSSA-N 1 2 337.448 3.595 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000742857676 1131807670 /nfs/dbraw/zinc/80/76/70/1131807670.db2.gz HJGQRLVPTCVCBL-YAINUAMHSA-N 1 2 349.409 3.673 20 0 EHADLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172712848 1131834484 /nfs/dbraw/zinc/83/44/84/1131834484.db2.gz OEFOWTOUNJXTLX-MOPGFXCFSA-N 1 2 343.854 3.571 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC001172851671 1131870596 /nfs/dbraw/zinc/87/05/96/1131870596.db2.gz RQZFTYDPIJWMDC-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCN(Cc2ccccn2)CC1 ZINC001172851671 1131870603 /nfs/dbraw/zinc/87/06/03/1131870603.db2.gz RQZFTYDPIJWMDC-OAHLLOKOSA-N 1 2 347.865 3.623 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854799 1131873354 /nfs/dbraw/zinc/87/33/54/1131873354.db2.gz RVUHCSCJFNDFDS-SCLBCKFNSA-N 1 2 349.833 3.784 20 0 EHADLO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172880920 1131896771 /nfs/dbraw/zinc/89/67/71/1131896771.db2.gz BYCRUUVTQQACPF-LBPRGKRZSA-N 1 2 348.903 3.805 20 0 EHADLO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172880920 1131896778 /nfs/dbraw/zinc/89/67/78/1131896778.db2.gz BYCRUUVTQQACPF-LBPRGKRZSA-N 1 2 348.903 3.805 20 0 EHADLO Cc1cccc2c1CC[N@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C2 ZINC000743362058 1131901104 /nfs/dbraw/zinc/90/11/04/1131901104.db2.gz FDYHJVMTSATGNA-LJQANCHMSA-N 1 2 340.854 3.938 20 0 EHADLO Cc1cccc2c1CC[N@@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C2 ZINC000743362058 1131901110 /nfs/dbraw/zinc/90/11/10/1131901110.db2.gz FDYHJVMTSATGNA-LJQANCHMSA-N 1 2 340.854 3.938 20 0 EHADLO Fc1cnc(Br)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212693297 1131906596 /nfs/dbraw/zinc/90/65/96/1131906596.db2.gz NRRHJSASUFWCET-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO COC(=O)c1ccc(Cl)nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693373 1131906683 /nfs/dbraw/zinc/90/66/83/1131906683.db2.gz SNCOGVLRDLEMSU-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401418 1131913487 /nfs/dbraw/zinc/91/34/87/1131913487.db2.gz ZIMNZBURUGVCEN-ZIAGYGMSSA-N 1 2 326.535 3.621 20 0 EHADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000743401418 1131913492 /nfs/dbraw/zinc/91/34/92/1131913492.db2.gz ZIMNZBURUGVCEN-ZIAGYGMSSA-N 1 2 326.535 3.621 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000743490345 1131933043 /nfs/dbraw/zinc/93/30/43/1131933043.db2.gz NZKSBPAQBNIACA-NJAFHUGGSA-N 1 2 333.472 3.783 20 0 EHADLO CC1(C)NC(=O)c2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC001212699756 1131934092 /nfs/dbraw/zinc/93/40/92/1131934092.db2.gz BCSIYKDZTOVJJX-UHFFFAOYSA-N 1 2 332.407 3.654 20 0 EHADLO COC(=O)c1ccc(F)c(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696890 1131935776 /nfs/dbraw/zinc/93/57/76/1131935776.db2.gz SDINADFOLLCSIQ-UHFFFAOYSA-N 1 2 343.333 3.740 20 0 EHADLO Fc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1OC1COC1 ZINC001212699068 1131938699 /nfs/dbraw/zinc/93/86/99/1131938699.db2.gz LQNDFSHCLVSYPZ-UHFFFAOYSA-N 1 2 339.370 3.592 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000743564812 1131942267 /nfs/dbraw/zinc/94/22/67/1131942267.db2.gz JQDWUYWBJFZILM-RTBURBONSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076819 1131957430 /nfs/dbraw/zinc/95/74/30/1131957430.db2.gz PJZMYTILQZHGQV-NVXWUHKLSA-N 1 2 346.471 3.589 20 0 EHADLO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076819 1131957434 /nfs/dbraw/zinc/95/74/34/1131957434.db2.gz PJZMYTILQZHGQV-NVXWUHKLSA-N 1 2 346.471 3.589 20 0 EHADLO CC(C)CC[C@@H]([NH2+][C@H]1CCc2ncsc2C1)C(=O)OC(C)(C)C ZINC001173130342 1131976739 /nfs/dbraw/zinc/97/67/39/1131976739.db2.gz WGYNVBNGMLWZKY-DZGCQCFKSA-N 1 2 338.517 3.737 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)c2ccccc2C)cs1 ZINC000743856496 1131989010 /nfs/dbraw/zinc/98/90/10/1131989010.db2.gz DDCHIYGVVWTHKQ-PBHICJAKSA-N 1 2 334.485 3.714 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)c2ccccc2C)cs1 ZINC000743856496 1131989015 /nfs/dbraw/zinc/98/90/15/1131989015.db2.gz DDCHIYGVVWTHKQ-PBHICJAKSA-N 1 2 334.485 3.714 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000743868275 1131994268 /nfs/dbraw/zinc/99/42/68/1131994268.db2.gz ZOJWLVRDHKDGLE-UHFFFAOYSA-N 1 2 339.483 3.592 20 0 EHADLO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCn2cnnc2C1 ZINC001173214456 1132014870 /nfs/dbraw/zinc/01/48/70/1132014870.db2.gz LXZUWFVNJOASHV-KRWDZBQOSA-N 1 2 332.451 3.704 20 0 EHADLO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCn2cnnc2C1 ZINC001173214456 1132014880 /nfs/dbraw/zinc/01/48/80/1132014880.db2.gz LXZUWFVNJOASHV-KRWDZBQOSA-N 1 2 332.451 3.704 20 0 EHADLO CCCC[C@H](CC(C)C)[NH2+][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001173252511 1132019382 /nfs/dbraw/zinc/01/93/82/1132019382.db2.gz JCTCNSZACUGMLN-QRQLOZEOSA-N 1 2 335.488 3.674 20 0 EHADLO O=C(CC(C1CC1)C1CC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000065066177 1132072354 /nfs/dbraw/zinc/07/23/54/1132072354.db2.gz NWKDYDCRLIYGHR-UHFFFAOYSA-N 1 2 327.472 3.514 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(CCc3ccccc3)no2)Cc2ccccc21 ZINC000744384850 1132085294 /nfs/dbraw/zinc/08/52/94/1132085294.db2.gz IWDWOVDPHXUPCC-INIZCTEOSA-N 1 2 333.435 3.974 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)Cc2ccccc21 ZINC000744384850 1132085300 /nfs/dbraw/zinc/08/53/00/1132085300.db2.gz IWDWOVDPHXUPCC-INIZCTEOSA-N 1 2 333.435 3.974 20 0 EHADLO COC(=O)C1([NH2+][C@@H](C)CCc2ccc(Cl)c(Cl)c2)CCC1 ZINC001173543884 1132087492 /nfs/dbraw/zinc/08/74/92/1132087492.db2.gz NYYNSVLGJQDZAM-NSHDSACASA-N 1 2 330.255 4.000 20 0 EHADLO CCOc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001173853285 1132156106 /nfs/dbraw/zinc/15/61/06/1132156106.db2.gz UJGUDZKLRDPCPT-UHFFFAOYSA-N 1 2 342.439 3.540 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745086847 1132191034 /nfs/dbraw/zinc/19/10/34/1132191034.db2.gz NVUPGWBSTWBWSM-HNNXBMFYSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745086847 1132191040 /nfs/dbraw/zinc/19/10/40/1132191040.db2.gz NVUPGWBSTWBWSM-HNNXBMFYSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086181 1132191448 /nfs/dbraw/zinc/19/14/48/1132191448.db2.gz KPNIUFYYIYMFCT-GOEBONIOSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086181 1132191451 /nfs/dbraw/zinc/19/14/51/1132191451.db2.gz KPNIUFYYIYMFCT-GOEBONIOSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000745098520 1132194051 /nfs/dbraw/zinc/19/40/51/1132194051.db2.gz DUBIGTDVLYKLDU-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000745098520 1132194056 /nfs/dbraw/zinc/19/40/56/1132194056.db2.gz DUBIGTDVLYKLDU-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CCN(C)c1ccc(Nc2cccc(C(=O)NCC(C)C)c2)c[nH+]1 ZINC001174193622 1132277315 /nfs/dbraw/zinc/27/73/15/1132277315.db2.gz VZFCKTCRTKITND-UHFFFAOYSA-N 1 2 326.444 3.667 20 0 EHADLO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745787016 1132316839 /nfs/dbraw/zinc/31/68/39/1132316839.db2.gz PVPYTPLHNRQOEG-SUMWQHHRSA-N 1 2 333.476 3.817 20 0 EHADLO CC(C)(C)OC(=O)NCc1cc(Nc2cccc3[nH]ncc32)cc[nH+]1 ZINC001174343376 1132324305 /nfs/dbraw/zinc/32/43/05/1132324305.db2.gz QZVNWVTVUXLKNG-UHFFFAOYSA-N 1 2 339.399 3.726 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cnc(Br)nc3)ccc21 ZINC001174380698 1132343321 /nfs/dbraw/zinc/34/33/21/1132343321.db2.gz KBKWSQOBPYHCJF-UHFFFAOYSA-N 1 2 332.205 3.913 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(S(C)(=O)=O)cc3F)ccc21 ZINC001174381540 1132343835 /nfs/dbraw/zinc/34/38/35/1132343835.db2.gz MVXUTHILYQGQGD-UHFFFAOYSA-N 1 2 347.415 3.903 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)[nH]c(=O)[nH]c4=O)ccc21 ZINC001174383026 1132344337 /nfs/dbraw/zinc/34/43/37/1132344337.db2.gz JLLCOFFESYTSCT-UHFFFAOYSA-N 1 2 335.367 3.715 20 0 EHADLO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1nc2ccccn2c1=S ZINC000746039067 1132352777 /nfs/dbraw/zinc/35/27/77/1132352777.db2.gz TVGXZMQFJWYUEQ-UHFFFAOYSA-N 1 2 342.468 3.744 20 0 EHADLO CCC[N@H+](Cc1ccc(OC)cc1)Cn1nc2ccccn2c1=S ZINC000746039067 1132352784 /nfs/dbraw/zinc/35/27/84/1132352784.db2.gz TVGXZMQFJWYUEQ-UHFFFAOYSA-N 1 2 342.468 3.744 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075648 1132359457 /nfs/dbraw/zinc/35/94/57/1132359457.db2.gz JBYZQLWFQKYMPU-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075648 1132359464 /nfs/dbraw/zinc/35/94/64/1132359464.db2.gz JBYZQLWFQKYMPU-ZBFHGGJFSA-N 1 2 343.427 3.524 20 0 EHADLO Brc1cc(Nc2ccc3cn[nH]c3c2)cn2cc[nH+]c12 ZINC001174499084 1132373508 /nfs/dbraw/zinc/37/35/08/1132373508.db2.gz YIDUMYSOCXNQKT-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1cc(Nc2ccc3c[nH]nc3c2)cn2cc[nH+]c12 ZINC001174499084 1132373517 /nfs/dbraw/zinc/37/35/17/1132373517.db2.gz YIDUMYSOCXNQKT-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000746286747 1132398194 /nfs/dbraw/zinc/39/81/94/1132398194.db2.gz FZSBQKZMVLESPC-QUCCMNQESA-N 1 2 337.467 3.883 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C)c1 ZINC001174522146 1132398695 /nfs/dbraw/zinc/39/86/95/1132398695.db2.gz JOCNXEQULFVYAQ-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO COC(=O)c1cc(F)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523593 1132400643 /nfs/dbraw/zinc/40/06/43/1132400643.db2.gz PYDHVHHMAOPTRV-UHFFFAOYSA-N 1 2 329.375 3.741 20 0 EHADLO CCN(CCO)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524095 1132401281 /nfs/dbraw/zinc/40/12/81/1132401281.db2.gz DCYXAACDAVPIEZ-UHFFFAOYSA-N 1 2 340.471 3.634 20 0 EHADLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1OC ZINC001174525083 1132401425 /nfs/dbraw/zinc/40/14/25/1132401425.db2.gz XVHBJGVDZDWTHL-UHFFFAOYSA-N 1 2 341.411 3.611 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)oc21 ZINC000746321584 1132438341 /nfs/dbraw/zinc/43/83/41/1132438341.db2.gz MQYQBPUSZPDHLU-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO Cc1cccc2cc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)oc21 ZINC000746321584 1132438344 /nfs/dbraw/zinc/43/83/44/1132438344.db2.gz MQYQBPUSZPDHLU-UHFFFAOYSA-N 1 2 336.382 3.543 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000193056804 1132477779 /nfs/dbraw/zinc/47/77/79/1132477779.db2.gz KKVKIEWCZTXHFI-UHFFFAOYSA-N 1 2 331.847 3.972 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000193056804 1132477784 /nfs/dbraw/zinc/47/77/84/1132477784.db2.gz KKVKIEWCZTXHFI-UHFFFAOYSA-N 1 2 331.847 3.972 20 0 EHADLO CCC(CC)(CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000193071223 1132477862 /nfs/dbraw/zinc/47/78/62/1132477862.db2.gz JSHGWFCIHVRUQT-UHFFFAOYSA-N 1 2 333.863 3.870 20 0 EHADLO CCC(CC)(CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000193071223 1132477869 /nfs/dbraw/zinc/47/78/69/1132477869.db2.gz JSHGWFCIHVRUQT-UHFFFAOYSA-N 1 2 333.863 3.870 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)CCc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000193063394 1132478512 /nfs/dbraw/zinc/47/85/12/1132478512.db2.gz UZTOYJAQWPXDJZ-HXUWFJFHSA-N 1 2 325.456 3.808 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)CCc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000193063394 1132478516 /nfs/dbraw/zinc/47/85/16/1132478516.db2.gz UZTOYJAQWPXDJZ-HXUWFJFHSA-N 1 2 325.456 3.808 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000194226431 1132487481 /nfs/dbraw/zinc/48/74/81/1132487481.db2.gz GAMOPMIKZFOSMM-GOSISDBHSA-N 1 2 330.472 3.674 20 0 EHADLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1Cc1ccccc1 ZINC000195119698 1132493928 /nfs/dbraw/zinc/49/39/28/1132493928.db2.gz NQCVZWQTFKNPLS-UHFFFAOYSA-N 1 2 335.407 3.580 20 0 EHADLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1Cc1ccccc1 ZINC000195119698 1132493935 /nfs/dbraw/zinc/49/39/35/1132493935.db2.gz NQCVZWQTFKNPLS-UHFFFAOYSA-N 1 2 335.407 3.580 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766376075 1132525931 /nfs/dbraw/zinc/52/59/31/1132525931.db2.gz XBMSYOUYIPAFIL-OAGGEKHMSA-N 1 2 330.501 3.959 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000766376075 1132525936 /nfs/dbraw/zinc/52/59/36/1132525936.db2.gz XBMSYOUYIPAFIL-OAGGEKHMSA-N 1 2 330.501 3.959 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc2ccccc2n1 ZINC000766404712 1132531022 /nfs/dbraw/zinc/53/10/22/1132531022.db2.gz SRPRBUFBHUSOQO-UHFFFAOYSA-N 1 2 346.438 3.784 20 0 EHADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)[C@@H]2CCCC[C@H]12 ZINC000766421551 1132535341 /nfs/dbraw/zinc/53/53/41/1132535341.db2.gz KGZBOSLSVTZEKG-IIAWOOMASA-N 1 2 327.476 3.986 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC(C)(C)[C@H]1CCCCO1 ZINC000766429650 1132542091 /nfs/dbraw/zinc/54/20/91/1132542091.db2.gz QWJIZAVYHLXPIV-CQSZACIVSA-N 1 2 331.464 3.589 20 0 EHADLO CCOc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(F)c1F ZINC001175152096 1132567931 /nfs/dbraw/zinc/56/79/31/1132567931.db2.gz JXMLRFKXIDCWMD-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO CCCCOc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001175241259 1132605872 /nfs/dbraw/zinc/60/58/72/1132605872.db2.gz JLZCJHOKYMSVEH-KRWDZBQOSA-N 1 2 327.428 3.575 20 0 EHADLO Cc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c(N(C)C)[nH+]1 ZINC000766540566 1132612454 /nfs/dbraw/zinc/61/24/54/1132612454.db2.gz GPDRNTMQISPSAI-KRWDZBQOSA-N 1 2 339.439 3.602 20 0 EHADLO COc1cccc(-n2nc(C)cc2Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175347324 1132628637 /nfs/dbraw/zinc/62/86/37/1132628637.db2.gz IYXSEXAXKRKBCC-UHFFFAOYSA-N 1 2 349.438 3.928 20 0 EHADLO FC(F)(F)C1(c2ccnc(NCCc3cn4ccccc4[nH+]3)c2)CC1 ZINC001169005031 1132630060 /nfs/dbraw/zinc/63/00/60/1132630060.db2.gz NVYAJVJTGPCDGW-UHFFFAOYSA-N 1 2 346.356 3.978 20 0 EHADLO C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1noc(Cc2ccccc2)n1 ZINC001169054529 1132643999 /nfs/dbraw/zinc/64/39/99/1132643999.db2.gz AHMDQTAPTVNYCG-NVXWUHKLSA-N 1 2 341.455 3.803 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(F)c(OC)c3)c2c1 ZINC001175397000 1132644417 /nfs/dbraw/zinc/64/44/17/1132644417.db2.gz TZGPPNJTZFZYAO-UHFFFAOYSA-N 1 2 340.354 3.725 20 0 EHADLO CN(C)c1ccc(Nc2cnc(Br)c(Cl)c2)c[nH+]1 ZINC001175340480 1132644633 /nfs/dbraw/zinc/64/46/33/1132644633.db2.gz IQBNQKVOCMGQKM-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO COc1ccc(C(C)=O)c(Nc2ccc(N3CCCC3)[nH+]c2)c1C ZINC001175350563 1132646110 /nfs/dbraw/zinc/64/61/10/1132646110.db2.gz AXVTUUSCGSNAPX-UHFFFAOYSA-N 1 2 325.412 3.945 20 0 EHADLO CC(C)=CCC/C(C)=C/CNc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001169135022 1132666261 /nfs/dbraw/zinc/66/62/61/1132666261.db2.gz HPLGPJSKRIVSJZ-IYJBSMEOSA-N 1 2 332.473 3.752 20 0 EHADLO Cn1ncc2c1cccc2Nc1cc(Br)cn2cc[nH+]c12 ZINC001175433518 1132668242 /nfs/dbraw/zinc/66/82/42/1132668242.db2.gz AISMPIOQJQOWQX-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO COc1cc(C[NH+]2CCOCC2)ccc1N[C@@H]1CCCC(F)(F)C1 ZINC001169220687 1132699736 /nfs/dbraw/zinc/69/97/36/1132699736.db2.gz XPNUEXCOERBVKW-OAHLLOKOSA-N 1 2 340.414 3.517 20 0 EHADLO C[N@@H+]1CCCC(=Nc2cc(-c3ccccc3Br)no2)C1 ZINC001175576879 1132713634 /nfs/dbraw/zinc/71/36/34/1132713634.db2.gz KWIVBEXCWKAUPA-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO C[N@H+]1CCCC(=Nc2cc(-c3ccccc3Br)no2)C1 ZINC001175576879 1132713639 /nfs/dbraw/zinc/71/36/39/1132713639.db2.gz KWIVBEXCWKAUPA-UHFFFAOYSA-N 1 2 334.217 3.735 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](C)Cc3ccc4cc[nH]c4c3)cs2)n1 ZINC001175622172 1132714993 /nfs/dbraw/zinc/71/49/93/1132714993.db2.gz OPDLIENIFZZFAJ-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](C)Cc3ccc4cc[nH]c4c3)cs2)n1 ZINC001175622172 1132714998 /nfs/dbraw/zinc/71/49/98/1132714998.db2.gz OPDLIENIFZZFAJ-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO Cc1nc(Nc2ccc3ccncc3c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001175701924 1132730743 /nfs/dbraw/zinc/73/07/43/1132730743.db2.gz DBINSVNZXGEJMD-ZIAGYGMSSA-N 1 2 349.438 3.690 20 0 EHADLO Cc1[nH]nc2cc(Nc3ccc(N4CC[NH+](C)CC4)c(F)c3)ccc12 ZINC001175662270 1132733772 /nfs/dbraw/zinc/73/37/72/1132733772.db2.gz CGMXNVOWOFMWIR-UHFFFAOYSA-N 1 2 339.418 3.506 20 0 EHADLO Cc1[nH]nc2cc(Nc3cc(F)ccc3N3CC[NH+](C)CC3)ccc12 ZINC001175662580 1132734094 /nfs/dbraw/zinc/73/40/94/1132734094.db2.gz SOWCMMDKGWVWDU-UHFFFAOYSA-N 1 2 339.418 3.506 20 0 EHADLO Cn1cc(-c2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2)cn1 ZINC001175711980 1132740026 /nfs/dbraw/zinc/74/00/26/1132740026.db2.gz CSLIPYQNORCWAZ-UHFFFAOYSA-N 1 2 333.317 3.827 20 0 EHADLO CC1(C)c2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2NC1=O ZINC001175714236 1132741114 /nfs/dbraw/zinc/74/11/14/1132741114.db2.gz KKVQKMNUMXAAOQ-UHFFFAOYSA-N 1 2 336.317 3.656 20 0 EHADLO COC(=O)c1c(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1F ZINC001175715985 1132742098 /nfs/dbraw/zinc/74/20/98/1132742098.db2.gz PZGDNIGKKONUAI-UHFFFAOYSA-N 1 2 343.280 3.660 20 0 EHADLO COC(Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1)OC ZINC001175717414 1132742896 /nfs/dbraw/zinc/74/28/96/1132742896.db2.gz UJIMTLULZXGACM-UHFFFAOYSA-N 1 2 341.333 3.588 20 0 EHADLO CCOC(=O)c1ccc(C)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717567 1132743089 /nfs/dbraw/zinc/74/30/89/1132743089.db2.gz KGIYYICDGQWMDC-UHFFFAOYSA-N 1 2 339.317 3.911 20 0 EHADLO COc1cccc(-n2nccc2Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175711311 1132756045 /nfs/dbraw/zinc/75/60/45/1132756045.db2.gz VLDGWSKQPYNSAG-UHFFFAOYSA-N 1 2 349.316 3.621 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(Cl)c(O)c1 ZINC001212591222 1132784964 /nfs/dbraw/zinc/78/49/64/1132784964.db2.gz BAYJYGTXURNIKH-UHFFFAOYSA-N 1 2 344.802 3.941 20 0 EHADLO C[N@H+](CC(=O)Oc1ccc2oc3ccccc3c2c1)[C@@H]1CCSC1 ZINC000766759216 1132792027 /nfs/dbraw/zinc/79/20/27/1132792027.db2.gz KOHSTLAEPVQDGH-CYBMUJFWSA-N 1 2 341.432 3.929 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccc2oc3ccccc3c2c1)[C@@H]1CCSC1 ZINC000766759216 1132792032 /nfs/dbraw/zinc/79/20/32/1132792032.db2.gz KOHSTLAEPVQDGH-CYBMUJFWSA-N 1 2 341.432 3.929 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cnn(C2CC2)c1 ZINC001175961596 1132802096 /nfs/dbraw/zinc/80/20/96/1132802096.db2.gz JQFWAMNVNJDEKV-UHFFFAOYSA-N 1 2 346.232 3.989 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001176022254 1132823722 /nfs/dbraw/zinc/82/37/22/1132823722.db2.gz ZBNADFPFFRQNPR-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001176022254 1132823728 /nfs/dbraw/zinc/82/37/28/1132823728.db2.gz ZBNADFPFFRQNPR-QWHCGFSZSA-N 1 2 348.368 3.920 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCCn1cc[nH+]c1 ZINC000766793827 1132836195 /nfs/dbraw/zinc/83/61/95/1132836195.db2.gz LNOPCLMAVWNANQ-LUAWRHEFSA-N 1 2 325.195 3.837 20 0 EHADLO O=C1[C@@H]([N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744020 1132837454 /nfs/dbraw/zinc/83/74/54/1132837454.db2.gz GTZBEXGDXBGVOT-FPOVZHCZSA-N 1 2 338.426 3.753 20 0 EHADLO O=C1[C@@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)CCCN1c1ccccc1 ZINC001169744020 1132837459 /nfs/dbraw/zinc/83/74/59/1132837459.db2.gz GTZBEXGDXBGVOT-FPOVZHCZSA-N 1 2 338.426 3.753 20 0 EHADLO Fc1ncc(Br)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC001206262846 1132843647 /nfs/dbraw/zinc/84/36/47/1132843647.db2.gz CWRCLDDVYROKFK-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO Fc1ncc(Br)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001206262846 1132843651 /nfs/dbraw/zinc/84/36/51/1132843651.db2.gz CWRCLDDVYROKFK-AWEZNQCLSA-N 1 2 345.281 3.702 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(-c2cccc(Br)n2)no1 ZINC001176118663 1132851863 /nfs/dbraw/zinc/85/18/63/1132851863.db2.gz KSLYPLKVARNEHX-UHFFFAOYSA-N 1 2 347.172 3.646 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001176120793 1132852983 /nfs/dbraw/zinc/85/29/83/1132852983.db2.gz MDFOVCVDNNXBRL-UHFFFAOYSA-N 1 2 329.400 3.859 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(Br)c(Cl)cc1N ZINC001176125131 1132854906 /nfs/dbraw/zinc/85/49/06/1132854906.db2.gz WMFQHQPQCWDVIQ-UHFFFAOYSA-N 1 2 328.597 3.832 20 0 EHADLO CCOc1ccc2ccccc2c1OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000766857911 1132874309 /nfs/dbraw/zinc/87/43/09/1132874309.db2.gz SVIZSAXOKKLBJY-HNNXBMFYSA-N 1 2 345.464 3.581 20 0 EHADLO CCOc1ccc2ccccc2c1OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000766857911 1132874319 /nfs/dbraw/zinc/87/43/19/1132874319.db2.gz SVIZSAXOKKLBJY-HNNXBMFYSA-N 1 2 345.464 3.581 20 0 EHADLO COc1cc(Nc2cc(C(=O)N3CCCC3)ccc2F)cc(C)[nH+]1 ZINC001176212326 1132874975 /nfs/dbraw/zinc/87/49/75/1132874975.db2.gz WODQAKQBNHLXGR-UHFFFAOYSA-N 1 2 329.375 3.517 20 0 EHADLO C[C@@H]1CN(CC[N@H+](C)Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC001169942282 1132903997 /nfs/dbraw/zinc/90/39/97/1132903997.db2.gz LLHIJSKOBGOYDQ-BETUJISGSA-N 1 2 331.287 3.534 20 0 EHADLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC001169942282 1132904004 /nfs/dbraw/zinc/90/40/04/1132904004.db2.gz LLHIJSKOBGOYDQ-BETUJISGSA-N 1 2 331.287 3.534 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](C)[C@@H]3C)c2cc1C(C)C ZINC000766968603 1132924456 /nfs/dbraw/zinc/92/44/56/1132924456.db2.gz JKHLVSJSKMPSBL-GJZGRUSLSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](C)[C@@H]3C)c2cc1C(C)C ZINC000766968603 1132924461 /nfs/dbraw/zinc/92/44/61/1132924461.db2.gz JKHLVSJSKMPSBL-GJZGRUSLSA-N 1 2 329.440 3.834 20 0 EHADLO Cc1oc2ccccc2c1CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000767066952 1132940487 /nfs/dbraw/zinc/94/04/87/1132940487.db2.gz BGQBELINVBYQSM-GOSISDBHSA-N 1 2 339.439 3.711 20 0 EHADLO COc1cnc(Br)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749331 1132991909 /nfs/dbraw/zinc/99/19/09/1132991909.db2.gz ASKAGVNQNQFISZ-UHFFFAOYSA-N 1 2 349.232 3.592 20 0 EHADLO Cc1cc(Br)cc(C(C)C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833759 1133003658 /nfs/dbraw/zinc/00/36/58/1133003658.db2.gz VKKWEUZTMXEXGX-UHFFFAOYSA-N 1 2 336.233 3.785 20 0 EHADLO CN(C)c1cc(COC(=O)c2cc(Cl)nc3ccccc32)cc[nH+]1 ZINC000767448831 1133005092 /nfs/dbraw/zinc/00/50/92/1133005092.db2.gz BKQRZNXZGDGQPP-UHFFFAOYSA-N 1 2 341.798 3.706 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001176879002 1133006823 /nfs/dbraw/zinc/00/68/23/1133006823.db2.gz XIKKKCSENIZKNY-UHFFFAOYSA-N 1 2 339.370 3.630 20 0 EHADLO CC(C)(C)Cc1cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC001176957278 1133015411 /nfs/dbraw/zinc/01/54/11/1133015411.db2.gz FEBQIQXRRRKMPW-AWEZNQCLSA-N 1 2 342.443 3.513 20 0 EHADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC001176970609 1133017036 /nfs/dbraw/zinc/01/70/36/1133017036.db2.gz OFXZLQJYEIRLAB-GJYPPUQNSA-N 1 2 335.451 3.663 20 0 EHADLO O=C(c1ccc2c(c1)CCC=C2)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177013854 1133022130 /nfs/dbraw/zinc/02/21/30/1133022130.db2.gz PRVIHRXSMMTLMJ-FQEVSTJZSA-N 1 2 336.410 3.572 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3cc(CC)ccc3C2)s1 ZINC001177008944 1133022298 /nfs/dbraw/zinc/02/22/98/1133022298.db2.gz SFVBZOXQOSWWFC-UHFFFAOYSA-N 1 2 342.508 3.547 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3cc(CC)ccc3C2)s1 ZINC001177008944 1133022303 /nfs/dbraw/zinc/02/23/03/1133022303.db2.gz SFVBZOXQOSWWFC-UHFFFAOYSA-N 1 2 342.508 3.547 20 0 EHADLO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC001177057814 1133025481 /nfs/dbraw/zinc/02/54/81/1133025481.db2.gz XZLHUHUGSFBPNK-CQSZACIVSA-N 1 2 337.464 3.765 20 0 EHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001177046915 1133025528 /nfs/dbraw/zinc/02/55/28/1133025528.db2.gz VASXDBDIHVVEJE-SFHVURJKSA-N 1 2 330.447 3.611 20 0 EHADLO Fc1ccc(F)c(O[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC001204197685 1133065541 /nfs/dbraw/zinc/06/55/41/1133065541.db2.gz GJOZUOLSANKGBU-CYBMUJFWSA-N 1 2 325.305 3.896 20 0 EHADLO Fc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC001204197685 1133065546 /nfs/dbraw/zinc/06/55/46/1133065546.db2.gz GJOZUOLSANKGBU-CYBMUJFWSA-N 1 2 325.305 3.896 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767874759 1133067050 /nfs/dbraw/zinc/06/70/50/1133067050.db2.gz ATGJPJCWSNJRNX-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000767874759 1133067054 /nfs/dbraw/zinc/06/70/54/1133067054.db2.gz ATGJPJCWSNJRNX-MOPGFXCFSA-N 1 2 349.833 3.894 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000768148325 1133098109 /nfs/dbraw/zinc/09/81/09/1133098109.db2.gz PJMZIXBKCORDMK-ZDUSSCGKSA-N 1 2 343.427 3.794 20 0 EHADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768163168 1133103051 /nfs/dbraw/zinc/10/30/51/1133103051.db2.gz VZCPFDDUDXEDDA-AWEZNQCLSA-N 1 2 342.443 3.807 20 0 EHADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768163168 1133103053 /nfs/dbraw/zinc/10/30/53/1133103053.db2.gz VZCPFDDUDXEDDA-AWEZNQCLSA-N 1 2 342.443 3.807 20 0 EHADLO OC[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)c1cccc(F)c1 ZINC001177830218 1133106353 /nfs/dbraw/zinc/10/63/53/1133106353.db2.gz WHEMBHXZOOPWQA-INIZCTEOSA-N 1 2 328.412 3.772 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000768236809 1133116469 /nfs/dbraw/zinc/11/64/69/1133116469.db2.gz GZCDZBLMHICDCC-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cncc2ccccc21 ZINC000768236809 1133116471 /nfs/dbraw/zinc/11/64/71/1133116471.db2.gz GZCDZBLMHICDCC-OAQYLSRUSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000768236907 1133116727 /nfs/dbraw/zinc/11/67/27/1133116727.db2.gz LPGJFOXQCCRPKF-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000768236907 1133116733 /nfs/dbraw/zinc/11/67/33/1133116733.db2.gz LPGJFOXQCCRPKF-NRFANRHFSA-N 1 2 346.430 3.943 20 0 EHADLO COc1cccc2cc(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)oc21 ZINC000768252735 1133117368 /nfs/dbraw/zinc/11/73/68/1133117368.db2.gz NUBKYAVHFQFHBQ-UHFFFAOYSA-N 1 2 344.455 3.522 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000768368564 1133130283 /nfs/dbraw/zinc/13/02/83/1133130283.db2.gz ZNVZVNLXEUKUIF-UHFFFAOYSA-N 1 2 328.412 3.604 20 0 EHADLO Fc1cc2c(c(F)c1)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)CO2 ZINC001178469873 1133171576 /nfs/dbraw/zinc/17/15/76/1133171576.db2.gz ZLWBIYLBIXJDCD-ZDUSSCGKSA-N 1 2 327.277 3.790 20 0 EHADLO CCc1[nH]c(CNC(=O)c2cccc(OCc3cccs3)c2)c[nH+]1 ZINC001178662726 1133188503 /nfs/dbraw/zinc/18/85/03/1133188503.db2.gz XKAHMNGFROVMDT-UHFFFAOYSA-N 1 2 341.436 3.543 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2cccc(OCc3cccs3)c2)[nH+]1 ZINC001178662726 1133188507 /nfs/dbraw/zinc/18/85/07/1133188507.db2.gz XKAHMNGFROVMDT-UHFFFAOYSA-N 1 2 341.436 3.543 20 0 EHADLO CCc1[nH]c(CNC(=O)c2sc(C3CCCCC3)nc2C)c[nH+]1 ZINC001178669691 1133189155 /nfs/dbraw/zinc/18/91/55/1133189155.db2.gz MGXQPCOKZDKIMC-UHFFFAOYSA-N 1 2 332.473 3.715 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2sc(C3CCCCC3)nc2C)[nH+]1 ZINC001178669691 1133189159 /nfs/dbraw/zinc/18/91/59/1133189159.db2.gz MGXQPCOKZDKIMC-UHFFFAOYSA-N 1 2 332.473 3.715 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000773777947 1133205621 /nfs/dbraw/zinc/20/56/21/1133205621.db2.gz BFHQRJDKUZVKPQ-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000773777947 1133205626 /nfs/dbraw/zinc/20/56/26/1133205626.db2.gz BFHQRJDKUZVKPQ-UHFFFAOYSA-N 1 2 348.402 3.687 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC001178926334 1133208368 /nfs/dbraw/zinc/20/83/68/1133208368.db2.gz NNYZYOFZIDLFCN-IBGZPJMESA-N 1 2 345.402 3.630 20 0 EHADLO Fc1cccc(Br)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001179315943 1133243540 /nfs/dbraw/zinc/24/35/40/1133243540.db2.gz OLQGYIUKIXDWBP-CYBMUJFWSA-N 1 2 341.268 3.695 20 0 EHADLO CCCCCOc1ccc(C[N@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769205373 1133243971 /nfs/dbraw/zinc/24/39/71/1133243971.db2.gz YHSCXPXPAXWLLY-UHFFFAOYSA-N 1 2 338.455 3.930 20 0 EHADLO CCCCCOc1ccc(C[N@@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769205373 1133243974 /nfs/dbraw/zinc/24/39/74/1133243974.db2.gz YHSCXPXPAXWLLY-UHFFFAOYSA-N 1 2 338.455 3.930 20 0 EHADLO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1nc2ccccc2s1 ZINC000769223896 1133246296 /nfs/dbraw/zinc/24/62/96/1133246296.db2.gz YIGMSZGWUKAUEM-NSHDSACASA-N 1 2 339.424 3.536 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c(C)o1 ZINC000769232238 1133247146 /nfs/dbraw/zinc/24/71/46/1133247146.db2.gz JCWNCTKENJEMFZ-IBGZPJMESA-N 1 2 327.403 3.990 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c(C)o1 ZINC000769232238 1133247153 /nfs/dbraw/zinc/24/71/53/1133247153.db2.gz JCWNCTKENJEMFZ-IBGZPJMESA-N 1 2 327.403 3.990 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1ccc2scnc2c1 ZINC001179489810 1133255250 /nfs/dbraw/zinc/25/52/50/1133255250.db2.gz WAJOORLZDABSRX-UHFFFAOYSA-N 1 2 338.436 3.905 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000769336767 1133262833 /nfs/dbraw/zinc/26/28/33/1133262833.db2.gz AQHDKANKHFLFKV-UHFFFAOYSA-N 1 2 325.412 3.944 20 0 EHADLO Oc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1Cl ZINC000769350683 1133269193 /nfs/dbraw/zinc/26/91/93/1133269193.db2.gz IGZVUGUTWCJAOI-UHFFFAOYSA-N 1 2 343.814 3.509 20 0 EHADLO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769382735 1133273068 /nfs/dbraw/zinc/27/30/68/1133273068.db2.gz VLKLNOGMGSJJFU-SFHVURJKSA-N 1 2 330.403 3.637 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769426092 1133282760 /nfs/dbraw/zinc/28/27/60/1133282760.db2.gz SEZJZZNBHORTNX-CZUORRHYSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769426092 1133282763 /nfs/dbraw/zinc/28/27/63/1133282763.db2.gz SEZJZZNBHORTNX-CZUORRHYSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769426088 1133282935 /nfs/dbraw/zinc/28/29/35/1133282935.db2.gz SEZJZZNBHORTNX-CJNGLKHVSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769426088 1133282941 /nfs/dbraw/zinc/28/29/41/1133282941.db2.gz SEZJZZNBHORTNX-CJNGLKHVSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@H]1C[N@H+](Cc2n[nH]cc2Br)CC[C@H]1c1ccccc1 ZINC001179878218 1133298289 /nfs/dbraw/zinc/29/82/89/1133298289.db2.gz MZTRXBKQEFMFHC-GXTWGEPZSA-N 1 2 334.261 3.798 20 0 EHADLO C[C@H]1C[N@@H+](Cc2n[nH]cc2Br)CC[C@H]1c1ccccc1 ZINC001179878218 1133298293 /nfs/dbraw/zinc/29/82/93/1133298293.db2.gz MZTRXBKQEFMFHC-GXTWGEPZSA-N 1 2 334.261 3.798 20 0 EHADLO O=C(/C=C/c1cccc(OC(F)(F)F)c1)Nc1ccn2cc[nH+]c2c1 ZINC001179944496 1133303562 /nfs/dbraw/zinc/30/35/62/1133303562.db2.gz RZLHLTAQLURUPB-SNAWJCMRSA-N 1 2 347.296 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1cccnc1Br)C2 ZINC001180002114 1133312799 /nfs/dbraw/zinc/31/27/99/1133312799.db2.gz LMJVEZQZKXFMGA-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1cccnc1Br)C2 ZINC001180002114 1133312802 /nfs/dbraw/zinc/31/28/02/1133312802.db2.gz LMJVEZQZKXFMGA-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1OC ZINC001180086105 1133326839 /nfs/dbraw/zinc/32/68/39/1133326839.db2.gz DRTXFXPSTALBTI-SFHVURJKSA-N 1 2 327.424 3.766 20 0 EHADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1OC ZINC001180086105 1133326848 /nfs/dbraw/zinc/32/68/48/1133326848.db2.gz DRTXFXPSTALBTI-SFHVURJKSA-N 1 2 327.424 3.766 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nc(Br)cs2)c1 ZINC001180158220 1133340417 /nfs/dbraw/zinc/34/04/17/1133340417.db2.gz VKHTVGFBAUFQBW-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nc(Br)cs2)c1 ZINC001180158220 1133340422 /nfs/dbraw/zinc/34/04/22/1133340422.db2.gz VKHTVGFBAUFQBW-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO COc1cc(F)c(C[N@@H+]2CCOc3ccccc3[C@H]2C)cc1OC ZINC001180165305 1133341505 /nfs/dbraw/zinc/34/15/05/1133341505.db2.gz HALSAXSRLJZCBN-CYBMUJFWSA-N 1 2 331.387 3.799 20 0 EHADLO COc1cc(F)c(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1OC ZINC001180165305 1133341511 /nfs/dbraw/zinc/34/15/11/1133341511.db2.gz HALSAXSRLJZCBN-CYBMUJFWSA-N 1 2 331.387 3.799 20 0 EHADLO O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000769781371 1133345002 /nfs/dbraw/zinc/34/50/02/1133345002.db2.gz GIVHAEADZHRVJI-FUHWJXTLSA-N 1 2 348.437 3.893 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@H+](C)CCCCc2ccccc2)s1 ZINC001180240049 1133350198 /nfs/dbraw/zinc/35/01/98/1133350198.db2.gz SMVAXVVXARWOEK-AWEZNQCLSA-N 1 2 332.469 3.945 20 0 EHADLO COC(=O)c1cnc([C@H](C)[N@@H+](C)CCCCc2ccccc2)s1 ZINC001180240049 1133350204 /nfs/dbraw/zinc/35/02/04/1133350204.db2.gz SMVAXVVXARWOEK-AWEZNQCLSA-N 1 2 332.469 3.945 20 0 EHADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc2[nH+]ccn21 ZINC000770055501 1133382823 /nfs/dbraw/zinc/38/28/23/1133382823.db2.gz RHUHYYUKOIUWDV-UHFFFAOYSA-N 1 2 337.713 3.841 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770425726 1133422606 /nfs/dbraw/zinc/42/26/06/1133422606.db2.gz KKLVYXKFOYSDSY-AWEZNQCLSA-N 1 2 347.422 3.756 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@H](CO)O1 ZINC001180916370 1133427448 /nfs/dbraw/zinc/42/74/48/1133427448.db2.gz CBSHONBCLJRXHJ-RHSMWYFYSA-N 1 2 331.843 3.589 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@H](CO)O1 ZINC001180916370 1133427452 /nfs/dbraw/zinc/42/74/52/1133427452.db2.gz CBSHONBCLJRXHJ-RHSMWYFYSA-N 1 2 331.843 3.589 20 0 EHADLO C[N@H+](CCc1cnccn1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000770662407 1133456029 /nfs/dbraw/zinc/45/60/29/1133456029.db2.gz STQOCKFQEZEZJB-UHFFFAOYSA-N 1 2 344.415 3.539 20 0 EHADLO C[N@@H+](CCc1cnccn1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000770662407 1133456034 /nfs/dbraw/zinc/45/60/34/1133456034.db2.gz STQOCKFQEZEZJB-UHFFFAOYSA-N 1 2 344.415 3.539 20 0 EHADLO Cc1nc2sn(C[N@H+]3CC[C@@H](C)C4(CCC4)C3)c(=O)c2c(C)c1C ZINC000770670934 1133457785 /nfs/dbraw/zinc/45/77/85/1133457785.db2.gz NKAJIRHGUDMTCG-GFCCVEGCSA-N 1 2 345.512 3.853 20 0 EHADLO Cc1nc2sn(C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)c(=O)c2c(C)c1C ZINC000770670934 1133457788 /nfs/dbraw/zinc/45/77/88/1133457788.db2.gz NKAJIRHGUDMTCG-GFCCVEGCSA-N 1 2 345.512 3.853 20 0 EHADLO Cc1cc(Br)cc2c(C(=O)OCc3c[nH+]cn3C)coc21 ZINC000770885217 1133476973 /nfs/dbraw/zinc/47/69/73/1133476973.db2.gz VPEHSKDJNYAGGK-UHFFFAOYSA-N 1 2 349.184 3.594 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(OC(C)C)cc2Cl)C[C@@H]1OC ZINC001181372283 1133481308 /nfs/dbraw/zinc/48/13/08/1133481308.db2.gz HTDQPZQLCIUKPU-IYBDPMFKSA-N 1 2 348.270 3.626 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(OC(C)C)cc2Cl)C[C@@H]1OC ZINC001181372283 1133481312 /nfs/dbraw/zinc/48/13/12/1133481312.db2.gz HTDQPZQLCIUKPU-IYBDPMFKSA-N 1 2 348.270 3.626 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)OCc1cccc2[nH+]ccn21 ZINC000770921257 1133483953 /nfs/dbraw/zinc/48/39/53/1133483953.db2.gz OEBBQQDZEAJJAM-UHFFFAOYSA-N 1 2 346.839 3.964 20 0 EHADLO O=C(CCSc1ccc(F)cc1)OCc1cccc2[nH+]ccn21 ZINC000770921921 1133484515 /nfs/dbraw/zinc/48/45/15/1133484515.db2.gz FWJCWTUBNSQVEV-UHFFFAOYSA-N 1 2 330.384 3.699 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1csc(Br)c1 ZINC000770922314 1133484541 /nfs/dbraw/zinc/48/45/41/1133484541.db2.gz KHGQCCTZVVEPPO-UHFFFAOYSA-N 1 2 337.198 3.515 20 0 EHADLO Cc1cc(OC(F)F)c(C(=O)OCc2cccc3[nH+]ccn32)s1 ZINC000770922352 1133484715 /nfs/dbraw/zinc/48/47/15/1133484715.db2.gz LAABCBUMZHKQTC-UHFFFAOYSA-N 1 2 338.335 3.663 20 0 EHADLO O=C(CCCOc1ccc(F)cc1F)OCc1cccc2[nH+]ccn21 ZINC000770927970 1133485766 /nfs/dbraw/zinc/48/57/66/1133485766.db2.gz YGAOAXLGWWNNNI-UHFFFAOYSA-N 1 2 346.333 3.515 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(F)cc1Br ZINC000770925553 1133485803 /nfs/dbraw/zinc/48/58/03/1133485803.db2.gz LWANUZVBTRWQDG-UHFFFAOYSA-N 1 2 349.159 3.593 20 0 EHADLO O=C(CCCCCCCCCO)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001181408871 1133487755 /nfs/dbraw/zinc/48/77/55/1133487755.db2.gz VJNGPXLOJUPXCY-UHFFFAOYSA-N 1 2 329.444 3.924 20 0 EHADLO C/C=C\C[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OCC ZINC001181458277 1133489550 /nfs/dbraw/zinc/48/95/50/1133489550.db2.gz UVDVLMQIBYWMGQ-IKAAYSDZSA-N 1 2 331.456 3.675 20 0 EHADLO COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)snc1OC ZINC001181622017 1133507161 /nfs/dbraw/zinc/50/71/61/1133507161.db2.gz NKTOVDRAVVSOFS-OCCSQVGLSA-N 1 2 346.452 3.521 20 0 EHADLO COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)snc1OC ZINC001181622017 1133507166 /nfs/dbraw/zinc/50/71/66/1133507166.db2.gz NKTOVDRAVVSOFS-OCCSQVGLSA-N 1 2 346.452 3.521 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001181788484 1133527579 /nfs/dbraw/zinc/52/75/79/1133527579.db2.gz YVADRQSYBBBJDY-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001181788484 1133527583 /nfs/dbraw/zinc/52/75/83/1133527583.db2.gz YVADRQSYBBBJDY-NSHDSACASA-N 1 2 348.231 3.710 20 0 EHADLO Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cn1 ZINC001181861628 1133542005 /nfs/dbraw/zinc/54/20/05/1133542005.db2.gz WGMQMTAARLMMCD-UAGQMJEPSA-N 1 2 349.519 3.650 20 0 EHADLO Cc1ccc(C2(C(=O)NCCOc3cc[nH+]cc3)CCCCC2)cc1 ZINC001181874024 1133544681 /nfs/dbraw/zinc/54/46/81/1133544681.db2.gz OKWMKBKINRBIBZ-UHFFFAOYSA-N 1 2 338.451 3.787 20 0 EHADLO O=C(C1c2ccccc2-c2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001181916066 1133550896 /nfs/dbraw/zinc/55/08/96/1133550896.db2.gz XRROMRMOVNYETR-HNNXBMFYSA-N 1 2 343.430 3.928 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001182174077 1133575732 /nfs/dbraw/zinc/57/57/32/1133575732.db2.gz YMCZVZPKSLYFBA-OAHLLOKOSA-N 1 2 331.504 3.918 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001182174074 1133576285 /nfs/dbraw/zinc/57/62/85/1133576285.db2.gz YMCZVZPKSLYFBA-HNNXBMFYSA-N 1 2 331.504 3.918 20 0 EHADLO O=C(NCC(F)(F)F)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243881 1133599496 /nfs/dbraw/zinc/59/94/96/1133599496.db2.gz KKVVNVGIYHUQAA-AWEZNQCLSA-N 1 2 348.796 3.936 20 0 EHADLO O=C(Nc1cccnn1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246943 1133600636 /nfs/dbraw/zinc/60/06/36/1133600636.db2.gz YXDFTTCYWCBBOJ-KRWDZBQOSA-N 1 2 344.846 3.686 20 0 EHADLO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)OCCn1cc[nH+]c1 ZINC000771881159 1133605890 /nfs/dbraw/zinc/60/58/90/1133605890.db2.gz LVQHMINUZYKZEM-RJRFIUFISA-N 1 2 344.720 3.812 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1csc(-c2ccc(Cl)s2)n1 ZINC000771932446 1133623119 /nfs/dbraw/zinc/62/31/19/1133623119.db2.gz FIINARKDRCBETJ-UHFFFAOYSA-N 1 2 339.829 3.579 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000772100191 1133639045 /nfs/dbraw/zinc/63/90/45/1133639045.db2.gz YUVXOLOGNJNOQM-INIZCTEOSA-N 1 2 345.531 3.910 20 0 EHADLO Cc1cc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc(C)c1O ZINC001182334991 1133641627 /nfs/dbraw/zinc/64/16/27/1133641627.db2.gz NQGNESWFZISVJN-UHFFFAOYSA-N 1 2 349.434 3.825 20 0 EHADLO O[C@@H](CNc1[nH+]cnc2[nH]cc(F)c21)c1c(Cl)cccc1Cl ZINC001170039108 1133648910 /nfs/dbraw/zinc/64/89/10/1133648910.db2.gz IMIHDGHEGQWPPH-JTQLQIEISA-N 1 2 341.173 3.549 20 0 EHADLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000780426578 1133659647 /nfs/dbraw/zinc/65/96/47/1133659647.db2.gz GYKOMKXDGQCDEU-UYAOXDASSA-N 1 2 327.472 3.605 20 0 EHADLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000780426578 1133659649 /nfs/dbraw/zinc/65/96/49/1133659649.db2.gz GYKOMKXDGQCDEU-UYAOXDASSA-N 1 2 327.472 3.605 20 0 EHADLO CC(=O)c1sccc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204342683 1133671873 /nfs/dbraw/zinc/67/18/73/1133671873.db2.gz GOZHDULKJXKUIL-UHFFFAOYSA-N 1 2 330.453 3.569 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1occ2ccccc21 ZINC001182500771 1133691187 /nfs/dbraw/zinc/69/11/87/1133691187.db2.gz RMERBWMOPMMNEL-UHFFFAOYSA-N 1 2 345.402 3.820 20 0 EHADLO C[C@]1(Br)C[C@H]1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182624688 1133706681 /nfs/dbraw/zinc/70/66/81/1133706681.db2.gz BNRWDYKSJOSKIM-YOEHRIQHSA-N 1 2 346.268 3.517 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182719308 1133716720 /nfs/dbraw/zinc/71/67/20/1133716720.db2.gz MYVFUKMURMAQRB-AWEZNQCLSA-N 1 2 348.450 3.511 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cc2ccccc2o1 ZINC000785524110 1133717156 /nfs/dbraw/zinc/71/71/56/1133717156.db2.gz GOQCLJFQEBGLBU-OAHLLOKOSA-N 1 2 332.407 3.923 20 0 EHADLO c1nc(C[NH2+]Cc2ccccc2N2CCCCC2)n(-c2ccccc2)n1 ZINC000785526207 1133717340 /nfs/dbraw/zinc/71/73/40/1133717340.db2.gz KYZVRSDRESQEGM-UHFFFAOYSA-N 1 2 347.466 3.547 20 0 EHADLO Cc1[nH+]c2ccc(Cl)cn2c1NS(=O)(=O)Cc1ccccc1C ZINC000785550948 1133720504 /nfs/dbraw/zinc/72/05/04/1133720504.db2.gz UPPHSPDSHNJPJR-UHFFFAOYSA-N 1 2 349.843 3.546 20 0 EHADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC001182828293 1133738297 /nfs/dbraw/zinc/73/82/97/1133738297.db2.gz BZNMXLAYGLBRDQ-HNNXBMFYSA-N 1 2 347.365 3.573 20 0 EHADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC001182828293 1133738302 /nfs/dbraw/zinc/73/83/02/1133738302.db2.gz BZNMXLAYGLBRDQ-HNNXBMFYSA-N 1 2 347.365 3.573 20 0 EHADLO COc1ccc([C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C(C)C)cc1 ZINC001182988288 1133754600 /nfs/dbraw/zinc/75/46/00/1133754600.db2.gz ILNSAMQVNNSTLN-IBGZPJMESA-N 1 2 341.455 3.564 20 0 EHADLO COc1ccc([C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C(C)C)cc1 ZINC001182988288 1133754606 /nfs/dbraw/zinc/75/46/06/1133754606.db2.gz ILNSAMQVNNSTLN-IBGZPJMESA-N 1 2 341.455 3.564 20 0 EHADLO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1F ZINC001183346210 1133797514 /nfs/dbraw/zinc/79/75/14/1133797514.db2.gz VBMBYKAHNBNTBY-OAHLLOKOSA-N 1 2 346.377 3.596 20 0 EHADLO Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1F ZINC001183346210 1133797521 /nfs/dbraw/zinc/79/75/21/1133797521.db2.gz VBMBYKAHNBNTBY-OAHLLOKOSA-N 1 2 346.377 3.596 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1F ZINC001183753114 1133853793 /nfs/dbraw/zinc/85/37/93/1133853793.db2.gz MKFJCDPEOCANNM-DYVFJYSZSA-N 1 2 346.833 3.931 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1F ZINC001183753114 1133853798 /nfs/dbraw/zinc/85/37/98/1133853798.db2.gz MKFJCDPEOCANNM-DYVFJYSZSA-N 1 2 346.833 3.931 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752955 1133855107 /nfs/dbraw/zinc/85/51/07/1133855107.db2.gz PTXVPCWEOMHAIF-INIZCTEOSA-N 1 2 341.798 3.694 20 0 EHADLO O=C(Nc1cc(Cl)cc2ncoc21)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752955 1133855114 /nfs/dbraw/zinc/85/51/14/1133855114.db2.gz PTXVPCWEOMHAIF-INIZCTEOSA-N 1 2 341.798 3.694 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1 ZINC001170063646 1133892415 /nfs/dbraw/zinc/89/24/15/1133892415.db2.gz UOLNPWGJCNIKKV-LJQANCHMSA-N 1 2 329.419 3.867 20 0 EHADLO Cc1ccncc1/C=C\C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000786917105 1133921654 /nfs/dbraw/zinc/92/16/54/1133921654.db2.gz FTZBNZVYMJEIOL-XQRVVYSFSA-N 1 2 333.391 3.641 20 0 EHADLO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccn1)C(=O)OC(C)(C)C ZINC001184364793 1133935664 /nfs/dbraw/zinc/93/56/64/1133935664.db2.gz XYVLZRYPPVBDLV-AEFFLSMTSA-N 1 2 340.467 3.728 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](C)c1ccccc1Cl ZINC001184477228 1133946766 /nfs/dbraw/zinc/94/67/66/1133946766.db2.gz NXPFUOZBEMAJGH-NSHDSACASA-N 1 2 337.876 3.525 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C[C@H](CC(C)(C)C)CC2=O)cc1F ZINC000787214080 1133969340 /nfs/dbraw/zinc/96/93/40/1133969340.db2.gz PYSKVOJFQFUZFV-HNNXBMFYSA-N 1 2 336.451 3.508 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C[C@H](CC(C)(C)C)CC2=O)cc1F ZINC000787214080 1133969346 /nfs/dbraw/zinc/96/93/46/1133969346.db2.gz PYSKVOJFQFUZFV-HNNXBMFYSA-N 1 2 336.451 3.508 20 0 EHADLO COc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1-c1ccccc1 ZINC000153803941 1133996399 /nfs/dbraw/zinc/99/63/99/1133996399.db2.gz DASRTMZFVWSGNR-INIZCTEOSA-N 1 2 349.434 3.625 20 0 EHADLO c1c[nH+]c(N2CCCC2)c(Nc2ccc(OC3CCOCC3)cc2)c1 ZINC001184964529 1134007964 /nfs/dbraw/zinc/00/79/64/1134007964.db2.gz MGZUUGHFOUVZPF-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO COCc1c(C(=O)OCc2cc[nH+]c(N)c2)sc2cccc(F)c21 ZINC000787597648 1134022891 /nfs/dbraw/zinc/02/28/91/1134022891.db2.gz HPCXJUQLGKYHMT-UHFFFAOYSA-N 1 2 346.383 3.521 20 0 EHADLO CCOC(=O)c1c(F)cc(F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185042753 1134023866 /nfs/dbraw/zinc/02/38/66/1134023866.db2.gz ILBDVHOWCQZMJL-UHFFFAOYSA-N 1 2 347.365 3.880 20 0 EHADLO CN1c2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2C(C)(C)C1=O ZINC001185042861 1134024064 /nfs/dbraw/zinc/02/40/64/1134024064.db2.gz KOLROPSHLQIAQL-UHFFFAOYSA-N 1 2 336.439 3.679 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2[nH+]cc(O)cc2C)ccc1Cl ZINC001185072095 1134031908 /nfs/dbraw/zinc/03/19/08/1134031908.db2.gz OGNJXBSEBGVSJX-UHFFFAOYSA-N 1 2 333.819 3.975 20 0 EHADLO Cc1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)nc2ccccc12 ZINC000774821269 1134032487 /nfs/dbraw/zinc/03/24/87/1134032487.db2.gz AGSADEDEGNBNKQ-UHFFFAOYSA-N 1 2 340.814 3.833 20 0 EHADLO CCc1cc(NC[C@@H](O)c2ccccc2C(F)(F)F)nc(CC)[nH+]1 ZINC001185081703 1134033930 /nfs/dbraw/zinc/03/39/30/1134033930.db2.gz RQYJVLAPAZSNEY-CQSZACIVSA-N 1 2 339.361 3.766 20 0 EHADLO Fc1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001206035063 1134049690 /nfs/dbraw/zinc/04/96/90/1134049690.db2.gz NKRKXISRWYEYCD-HNNXBMFYSA-N 1 2 332.797 3.785 20 0 EHADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@H](C)CCCC(C)C ZINC001170080739 1134062133 /nfs/dbraw/zinc/06/21/33/1134062133.db2.gz LPLLPHDUPMABGC-VQIMIIECSA-N 1 2 348.535 3.714 20 0 EHADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@H](C)CCCC(C)C ZINC001170080739 1134062140 /nfs/dbraw/zinc/06/21/40/1134062140.db2.gz LPLLPHDUPMABGC-VQIMIIECSA-N 1 2 348.535 3.714 20 0 EHADLO O[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)c1ccccc1Cl ZINC001185428875 1134084662 /nfs/dbraw/zinc/08/46/62/1134084662.db2.gz DGDXRQNBGDBTML-KRWDZBQOSA-N 1 2 338.798 3.681 20 0 EHADLO C[C@@H]1CSCC[N@@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000774885414 1134100020 /nfs/dbraw/zinc/10/00/20/1134100020.db2.gz BIXCDOSXNALCHZ-SECBINFHSA-N 1 2 343.315 3.996 20 0 EHADLO C[C@@H]1CSCC[N@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000774885414 1134100022 /nfs/dbraw/zinc/10/00/22/1134100022.db2.gz BIXCDOSXNALCHZ-SECBINFHSA-N 1 2 343.315 3.996 20 0 EHADLO CC(C)(C)SCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788247572 1134100559 /nfs/dbraw/zinc/10/05/59/1134100559.db2.gz VCGFFICUKJKKSJ-AWEZNQCLSA-N 1 2 349.544 3.963 20 0 EHADLO CC(C)(C)SCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788247572 1134100561 /nfs/dbraw/zinc/10/05/61/1134100561.db2.gz VCGFFICUKJKKSJ-AWEZNQCLSA-N 1 2 349.544 3.963 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc(F)cc1 ZINC000788246674 1134100757 /nfs/dbraw/zinc/10/07/57/1134100757.db2.gz KYAGROMSPVZRJA-INIZCTEOSA-N 1 2 341.430 3.884 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc(F)cc1 ZINC000788246674 1134100760 /nfs/dbraw/zinc/10/07/60/1134100760.db2.gz KYAGROMSPVZRJA-INIZCTEOSA-N 1 2 341.430 3.884 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283137 1134108573 /nfs/dbraw/zinc/10/85/73/1134108573.db2.gz WGQOLGWQSZBCBE-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283137 1134108575 /nfs/dbraw/zinc/10/85/75/1134108575.db2.gz WGQOLGWQSZBCBE-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000788283137 1134108577 /nfs/dbraw/zinc/10/85/77/1134108577.db2.gz WGQOLGWQSZBCBE-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000788283137 1134108578 /nfs/dbraw/zinc/10/85/78/1134108578.db2.gz WGQOLGWQSZBCBE-WFASDCNBSA-N 1 2 346.368 3.578 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788331115 1134109462 /nfs/dbraw/zinc/10/94/62/1134109462.db2.gz GLXSUIUTQKALEN-NVXWUHKLSA-N 1 2 335.517 3.626 20 0 EHADLO CC[C@@H](NC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000788331109 1134110047 /nfs/dbraw/zinc/11/00/47/1134110047.db2.gz GKRZEZANUPPOAP-HUUCEWRRSA-N 1 2 347.509 3.622 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000788484072 1134138289 /nfs/dbraw/zinc/13/82/89/1134138289.db2.gz VZUHLPRFPASRAV-UHFFFAOYSA-N 1 2 345.874 3.579 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000788484072 1134138292 /nfs/dbraw/zinc/13/82/92/1134138292.db2.gz VZUHLPRFPASRAV-UHFFFAOYSA-N 1 2 345.874 3.579 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1SC(C)(C)C ZINC000788781391 1134175072 /nfs/dbraw/zinc/17/50/72/1134175072.db2.gz GMHKKEYKHWIZAG-CYBMUJFWSA-N 1 2 346.500 3.550 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]CCc1ccc3cn[nH]c3c1)COC2 ZINC000788816447 1134176002 /nfs/dbraw/zinc/17/60/02/1134176002.db2.gz GXXCVWSALJJONP-QGZVFWFLSA-N 1 2 327.815 3.620 20 0 EHADLO Fc1ccc(COc2ccc[nH+]c2NCCOC(F)(F)F)cc1 ZINC001157392313 1134182589 /nfs/dbraw/zinc/18/25/89/1134182589.db2.gz QYGGUJHVDRHINI-UHFFFAOYSA-N 1 2 330.281 3.748 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC001186338526 1134204906 /nfs/dbraw/zinc/20/49/06/1134204906.db2.gz MVGBPNIVLUVYEH-CRAIPNDOSA-N 1 2 331.460 3.603 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)noc21 ZINC001186541466 1134231077 /nfs/dbraw/zinc/23/10/77/1134231077.db2.gz ZIDLTLYSVUDMLH-UHFFFAOYSA-N 1 2 346.390 3.562 20 0 EHADLO Cc1cc(Oc2ccc(NC(=O)NCC(F)(F)F)cc2)cc[nH+]1 ZINC001187091485 1134298528 /nfs/dbraw/zinc/29/85/28/1134298528.db2.gz PWZBLTWDGIUCME-UHFFFAOYSA-N 1 2 325.290 3.866 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2cc(I)c(C)cn2)c1 ZINC001203654928 1134300415 /nfs/dbraw/zinc/30/04/15/1134300415.db2.gz SOFXJIJPJPTUCQ-UHFFFAOYSA-N 1 2 339.180 3.750 20 0 EHADLO Cc1nc2c(ccn2C)c(NCc2ccccc2-c2cccnc2)[nH+]1 ZINC001170112463 1134305950 /nfs/dbraw/zinc/30/59/50/1134305950.db2.gz ZIYCWLYUKBTEPS-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000789768381 1134328724 /nfs/dbraw/zinc/32/87/24/1134328724.db2.gz MPECOWSAAVRVGN-ZDUSSCGKSA-N 1 2 341.411 3.702 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000789768381 1134328728 /nfs/dbraw/zinc/32/87/28/1134328728.db2.gz MPECOWSAAVRVGN-ZDUSSCGKSA-N 1 2 341.411 3.702 20 0 EHADLO Cc1nc(-c2cccc(C(=O)OCCCc3[nH+]ccn3C)c2)cs1 ZINC000789787067 1134334836 /nfs/dbraw/zinc/33/48/36/1134334836.db2.gz FLKWMTSRVOOKRK-UHFFFAOYSA-N 1 2 341.436 3.642 20 0 EHADLO Cc1ccc(COCC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001273542740 1134345086 /nfs/dbraw/zinc/34/50/86/1134345086.db2.gz DPKXVKMQFYCZFR-UHFFFAOYSA-N 1 2 349.434 3.765 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](COCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001170125981 1134361481 /nfs/dbraw/zinc/36/14/81/1134361481.db2.gz QNRUOGGSLFQNNU-NXHRZFHOSA-N 1 2 333.472 3.692 20 0 EHADLO Cc1ncc(/C=C\C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)s1 ZINC001273544896 1134362676 /nfs/dbraw/zinc/36/26/76/1134362676.db2.gz ZYSYQZLSEVAUSN-ALCCZGGFSA-N 1 2 338.436 3.718 20 0 EHADLO O=C(C(F)=C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790157938 1134376330 /nfs/dbraw/zinc/37/63/30/1134376330.db2.gz QAYIDVDCPFXFLV-UHFFFAOYSA-N 1 2 331.435 3.723 20 0 EHADLO Cc1c[nH]cc1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001187805836 1134383374 /nfs/dbraw/zinc/38/33/74/1134383374.db2.gz FYTFCPAHZBQHQJ-OAHLLOKOSA-N 1 2 340.254 3.663 20 0 EHADLO COc1cc(Nc2ccc(F)c(C(=O)N3CCCC3)c2)cc(C)[nH+]1 ZINC001187856826 1134390808 /nfs/dbraw/zinc/39/08/08/1134390808.db2.gz WICZJBMOWFLALT-UHFFFAOYSA-N 1 2 329.375 3.517 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccsc2)CC1 ZINC000790329006 1134397481 /nfs/dbraw/zinc/39/74/81/1134397481.db2.gz XILOROYKNYGABY-GFCCVEGCSA-N 1 2 337.539 3.885 20 0 EHADLO CSc1ccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001188103445 1134427835 /nfs/dbraw/zinc/42/78/35/1134427835.db2.gz BQDSKTWWYDCHGM-INIZCTEOSA-N 1 2 343.452 3.879 20 0 EHADLO O=C(OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1F)N1CCCC1 ZINC001170142094 1134449230 /nfs/dbraw/zinc/44/92/30/1134449230.db2.gz ZYBOWEVQFFFJDF-CQSZACIVSA-N 1 2 338.398 3.552 20 0 EHADLO O=C(OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1F)N1CCCC1 ZINC001170142094 1134449233 /nfs/dbraw/zinc/44/92/33/1134449233.db2.gz ZYBOWEVQFFFJDF-CQSZACIVSA-N 1 2 338.398 3.552 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2csnn2)cc1 ZINC001188893113 1134520274 /nfs/dbraw/zinc/52/02/74/1134520274.db2.gz ZMIFWGZRMXVXKP-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO CC(=O)c1ccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791333846 1134532492 /nfs/dbraw/zinc/53/24/92/1134532492.db2.gz WFOUHFSCHWCYHS-UHFFFAOYSA-N 1 2 348.402 3.669 20 0 EHADLO Cc1ccc(/C=C\C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000791446501 1134552565 /nfs/dbraw/zinc/55/25/65/1134552565.db2.gz KUCOYNIEJYNIMK-YVMONPNESA-N 1 2 333.391 3.641 20 0 EHADLO CCCCOc1ccc(NC(=O)NCc2c[nH+]cn2CC2CC2)cc1 ZINC001189333606 1134572965 /nfs/dbraw/zinc/57/29/65/1134572965.db2.gz TUGLJVXVEREQBN-UHFFFAOYSA-N 1 2 342.443 3.794 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000780446916 1134603660 /nfs/dbraw/zinc/60/36/60/1134603660.db2.gz KSBDXKWXRUZJCE-HXUWFJFHSA-N 1 2 349.434 3.813 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000780446916 1134603664 /nfs/dbraw/zinc/60/36/64/1134603664.db2.gz KSBDXKWXRUZJCE-HXUWFJFHSA-N 1 2 349.434 3.813 20 0 EHADLO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000791856145 1134612525 /nfs/dbraw/zinc/61/25/25/1134612525.db2.gz JEQSIZRMURMING-MYSGNRETSA-N 1 2 326.396 3.598 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000791868209 1134625786 /nfs/dbraw/zinc/62/57/86/1134625786.db2.gz BDLQTRHEZBMWBF-OLZOCXBDSA-N 1 2 337.206 3.818 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(=O)NC1c2ccccc2-c2ccccc21 ZINC001190036660 1134651386 /nfs/dbraw/zinc/65/13/86/1134651386.db2.gz QRHIUYIUBOJLHH-UHFFFAOYSA-N 1 2 346.434 3.685 20 0 EHADLO COc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001190045933 1134652005 /nfs/dbraw/zinc/65/20/05/1134652005.db2.gz QXKUEPXISMJQBW-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO CCc1[nH]ncc1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001190138275 1134659500 /nfs/dbraw/zinc/65/95/00/1134659500.db2.gz LODOPPMSEAWLSY-UHFFFAOYSA-N 1 2 346.434 3.740 20 0 EHADLO CCc1[nH]ncc1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001190138275 1134659503 /nfs/dbraw/zinc/65/95/03/1134659503.db2.gz LODOPPMSEAWLSY-UHFFFAOYSA-N 1 2 346.434 3.740 20 0 EHADLO O=C(Nc1cc(-c2ccccc2)cnn1)c1ccccc1-n1cc[nH+]c1 ZINC001190085604 1134659997 /nfs/dbraw/zinc/65/99/97/1134659997.db2.gz IEFJTYWTSHCSRV-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Oc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000792557017 1134698783 /nfs/dbraw/zinc/69/87/83/1134698783.db2.gz CHFQXHNVFKEXAU-HXUWFJFHSA-N 1 2 349.434 3.530 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Oc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000792557017 1134698787 /nfs/dbraw/zinc/69/87/87/1134698787.db2.gz CHFQXHNVFKEXAU-HXUWFJFHSA-N 1 2 349.434 3.530 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+](CC)Cc1ccc(OC)cc1OC ZINC001190597660 1134725130 /nfs/dbraw/zinc/72/51/30/1134725130.db2.gz QIVANWOLZAEBHD-QGZVFWFLSA-N 1 2 337.460 3.504 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001190597660 1134725135 /nfs/dbraw/zinc/72/51/35/1134725135.db2.gz QIVANWOLZAEBHD-QGZVFWFLSA-N 1 2 337.460 3.504 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)Nc1ccccc1OC(F)(F)F ZINC001190652941 1134732880 /nfs/dbraw/zinc/73/28/80/1134732880.db2.gz ACXSKMQJEHAHAF-UHFFFAOYSA-N 1 2 336.273 3.877 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000775412297 1134753161 /nfs/dbraw/zinc/75/31/61/1134753161.db2.gz MBLSPNBJAXAXIM-UHFFFAOYSA-N 1 2 339.370 3.663 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCOC[C@@H]3C)c2=S)cc1C ZINC000772819469 1134776898 /nfs/dbraw/zinc/77/68/98/1134776898.db2.gz CQRQBTWQXJNGCA-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCOC[C@@H]3C)c2=S)cc1C ZINC000772819469 1134776903 /nfs/dbraw/zinc/77/69/03/1134776903.db2.gz CQRQBTWQXJNGCA-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc(N3CCSCC3)cc2)cn1 ZINC000792876805 1134811377 /nfs/dbraw/zinc/81/13/77/1134811377.db2.gz RTDSFSCBBLLNGY-UHFFFAOYSA-N 1 2 327.497 3.988 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792898830 1134817359 /nfs/dbraw/zinc/81/73/59/1134817359.db2.gz ASTZVEAEDBRBIE-GXFFZTMASA-N 1 2 334.268 3.550 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792898830 1134817365 /nfs/dbraw/zinc/81/73/65/1134817365.db2.gz ASTZVEAEDBRBIE-GXFFZTMASA-N 1 2 334.268 3.550 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)CC1CCCCC1 ZINC001191176689 1134820232 /nfs/dbraw/zinc/82/02/32/1134820232.db2.gz YXZSXJKPLBHNAW-HNNXBMFYSA-N 1 2 332.463 3.784 20 0 EHADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)CC1CCCCC1 ZINC001191176689 1134820239 /nfs/dbraw/zinc/82/02/39/1134820239.db2.gz YXZSXJKPLBHNAW-HNNXBMFYSA-N 1 2 332.463 3.784 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)C(F)(F)Cc1ccccc1 ZINC000793001698 1134837702 /nfs/dbraw/zinc/83/77/02/1134837702.db2.gz TXJOCNYYPCHMPG-UHFFFAOYSA-N 1 2 327.334 3.689 20 0 EHADLO CN(C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001191276514 1134839104 /nfs/dbraw/zinc/83/91/04/1134839104.db2.gz APAYXPPYKJERRT-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO CN(C[C@H]1CCC[N@H+]1Cc1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001191276514 1134839111 /nfs/dbraw/zinc/83/91/11/1134839111.db2.gz APAYXPPYKJERRT-CYBMUJFWSA-N 1 2 340.414 3.796 20 0 EHADLO Cc1ccc(F)cc1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001191406161 1134861341 /nfs/dbraw/zinc/86/13/41/1134861341.db2.gz FETYVTIRLSYNBR-MRXNPFEDSA-N 1 2 329.375 3.604 20 0 EHADLO CCn1cc(C[N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)cn1 ZINC001205563690 1134870073 /nfs/dbraw/zinc/87/00/73/1134870073.db2.gz WFJOCHWXUXQMML-LBPRGKRZSA-N 1 2 334.261 3.612 20 0 EHADLO CCn1cc(C[N@H+]2Cc3c(Br)cccc3C[C@@H]2C)cn1 ZINC001205563690 1134870077 /nfs/dbraw/zinc/87/00/77/1134870077.db2.gz WFJOCHWXUXQMML-LBPRGKRZSA-N 1 2 334.261 3.612 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000793257822 1134891587 /nfs/dbraw/zinc/89/15/87/1134891587.db2.gz ZNJQIXHHYXAEBN-UHFFFAOYSA-N 1 2 347.374 3.628 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1F ZINC000793288022 1134894840 /nfs/dbraw/zinc/89/48/40/1134894840.db2.gz BLJZUUUUNMWAED-UHFFFAOYSA-N 1 2 344.821 3.717 20 0 EHADLO CN(C)c1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC001191682381 1134899678 /nfs/dbraw/zinc/89/96/78/1134899678.db2.gz QDUACANWYJBUNL-LJQANCHMSA-N 1 2 349.482 3.762 20 0 EHADLO CN(C)c1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC001191682381 1134899684 /nfs/dbraw/zinc/89/96/84/1134899684.db2.gz QDUACANWYJBUNL-LJQANCHMSA-N 1 2 349.482 3.762 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC001191664327 1134901943 /nfs/dbraw/zinc/90/19/43/1134901943.db2.gz RHVAICLQNJZQIT-ZWKOTPCHSA-N 1 2 345.487 3.518 20 0 EHADLO FC1(F)CC[NH+](Cc2ccccc2I)CC1 ZINC000793361528 1134910401 /nfs/dbraw/zinc/91/04/01/1134910401.db2.gz IWAFLIGHQMWQCY-UHFFFAOYSA-N 1 2 337.151 3.522 20 0 EHADLO OCC[N@H+](Cc1cc2cc(F)ccc2o1)Cc1cccnc1Cl ZINC000793366899 1134911845 /nfs/dbraw/zinc/91/18/45/1134911845.db2.gz SIJPIAGOJASGQT-UHFFFAOYSA-N 1 2 334.778 3.615 20 0 EHADLO OCC[N@@H+](Cc1cc2cc(F)ccc2o1)Cc1cccnc1Cl ZINC000793366899 1134911853 /nfs/dbraw/zinc/91/18/53/1134911853.db2.gz SIJPIAGOJASGQT-UHFFFAOYSA-N 1 2 334.778 3.615 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2c[nH+]c3ccc(F)cn23)c1 ZINC001191732152 1134914784 /nfs/dbraw/zinc/91/47/84/1134914784.db2.gz NDCAWJYJPDYUAM-UHFFFAOYSA-N 1 2 332.766 3.757 20 0 EHADLO Cc1cc(NC(=O)NCc2c[nH+]cn2C2CCOCC2)ccc1Cl ZINC001191786949 1134922128 /nfs/dbraw/zinc/92/21/28/1134922128.db2.gz RWQFTLFLLRENGW-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO O=C(Nc1ccc2sccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001192439556 1135019286 /nfs/dbraw/zinc/01/92/86/1135019286.db2.gz URUKLITVAUSMGJ-UHFFFAOYSA-N 1 2 326.425 3.967 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nc(C(F)(F)F)cs1 ZINC001192447390 1135020940 /nfs/dbraw/zinc/02/09/40/1135020940.db2.gz OYZKRTBPUNBFRY-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)OCc1ccccc1 ZINC001192556774 1135029552 /nfs/dbraw/zinc/02/95/52/1135029552.db2.gz GVYPZHYLWPRIST-GBESFXJTSA-N 1 2 345.483 3.692 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccc(F)c(F)c1 ZINC001192832875 1135060802 /nfs/dbraw/zinc/06/08/02/1135060802.db2.gz IKIYDMQYXJSRQJ-JTQLQIEISA-N 1 2 331.322 3.571 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1noc(Cc2ccccc2)n1 ZINC001193154338 1135110502 /nfs/dbraw/zinc/11/05/02/1135110502.db2.gz LDTPABIAFVWMPN-ZBFHGGJFSA-N 1 2 329.444 3.516 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000804546760 1135111611 /nfs/dbraw/zinc/11/16/11/1135111611.db2.gz UHVYYLJPOQHRLE-INIZCTEOSA-N 1 2 336.439 3.935 20 0 EHADLO c1ccc2c(c1)OC1(CCC1)C[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000804546760 1135111615 /nfs/dbraw/zinc/11/16/15/1135111615.db2.gz UHVYYLJPOQHRLE-INIZCTEOSA-N 1 2 336.439 3.935 20 0 EHADLO C[C@](O)(C[N@@H+]1CCc2cc(Cl)ccc2C1)C(F)(F)C(F)(F)F ZINC001193345698 1135127674 /nfs/dbraw/zinc/12/76/74/1135127674.db2.gz DUIBANMFXKGXGE-LBPRGKRZSA-N 1 2 343.723 3.647 20 0 EHADLO C[C@](O)(C[N@H+]1CCc2cc(Cl)ccc2C1)C(F)(F)C(F)(F)F ZINC001193345698 1135127676 /nfs/dbraw/zinc/12/76/76/1135127676.db2.gz DUIBANMFXKGXGE-LBPRGKRZSA-N 1 2 343.723 3.647 20 0 EHADLO Cc1cc(CNC(=O)c2cc3ccccc3nc2Cl)cc(C)[nH+]1 ZINC001129859286 1135173115 /nfs/dbraw/zinc/17/31/15/1135173115.db2.gz ZZPZIMCFHXRXSS-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO CC(C)COC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001193865785 1135198612 /nfs/dbraw/zinc/19/86/12/1135198612.db2.gz SIUAFZDJOFGEDR-UHFFFAOYSA-N 1 2 342.842 3.826 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001194049725 1135221194 /nfs/dbraw/zinc/22/11/94/1135221194.db2.gz VTSGPVNMLGKCAT-UHFFFAOYSA-N 1 2 342.826 3.799 20 0 EHADLO O=C(Oc1ccc(Cl)cc1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001194049725 1135221197 /nfs/dbraw/zinc/22/11/97/1135221197.db2.gz VTSGPVNMLGKCAT-UHFFFAOYSA-N 1 2 342.826 3.799 20 0 EHADLO CCCOC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001194148179 1135233947 /nfs/dbraw/zinc/23/39/47/1135233947.db2.gz TWJZGXBKKCRLKR-UHFFFAOYSA-N 1 2 328.815 3.580 20 0 EHADLO CCCOC(=O)NCc1c[nH+]cn1Cc1ccc(C(F)(F)F)cc1 ZINC001194149623 1135233991 /nfs/dbraw/zinc/23/39/91/1135233991.db2.gz HDZYZFHNPFVVPC-UHFFFAOYSA-N 1 2 341.333 3.586 20 0 EHADLO O=C(Oc1ccc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001194623328 1135300881 /nfs/dbraw/zinc/30/08/81/1135300881.db2.gz CWDYIEDNSKQIFQ-UHFFFAOYSA-N 1 2 333.391 3.556 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(-c2ccc(F)cc2)cn1 ZINC001194757600 1135318344 /nfs/dbraw/zinc/31/83/44/1135318344.db2.gz QOMJZIBECKQPMG-UHFFFAOYSA-N 1 2 332.338 3.788 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000805789847 1135328452 /nfs/dbraw/zinc/32/84/52/1135328452.db2.gz MACVISRXMZEUTR-ZYHUDNBSSA-N 1 2 329.275 3.506 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000805789847 1135328458 /nfs/dbraw/zinc/32/84/58/1135328458.db2.gz MACVISRXMZEUTR-ZYHUDNBSSA-N 1 2 329.275 3.506 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cc3ccccc3n2C)c1 ZINC001194906722 1135339179 /nfs/dbraw/zinc/33/91/79/1135339179.db2.gz GNGYAEZBHAOTEE-UHFFFAOYSA-N 1 2 344.418 3.509 20 0 EHADLO COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(-c3c[nH+]cn3C)c1)CC2 ZINC001194917516 1135340354 /nfs/dbraw/zinc/34/03/54/1135340354.db2.gz MRMBRVBSXFVUGE-IBGZPJMESA-N 1 2 347.418 3.513 20 0 EHADLO Cc1cc(Cl)c(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001194892785 1135344106 /nfs/dbraw/zinc/34/41/06/1135344106.db2.gz HRLKYMMJICHOLR-UHFFFAOYSA-N 1 2 340.814 3.501 20 0 EHADLO CC[C@@H](C)OC(=O)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001195152649 1135381848 /nfs/dbraw/zinc/38/18/48/1135381848.db2.gz WKOFJFFWFVJOPZ-LLVKDONJSA-N 1 2 344.377 3.593 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001195232549 1135389936 /nfs/dbraw/zinc/38/99/36/1135389936.db2.gz FBAIZJCBTWYCFV-HNNXBMFYSA-N 1 2 334.218 3.908 20 0 EHADLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001195232549 1135389940 /nfs/dbraw/zinc/38/99/40/1135389940.db2.gz FBAIZJCBTWYCFV-HNNXBMFYSA-N 1 2 334.218 3.908 20 0 EHADLO Fc1ccccc1CO[C@@H]1CCC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000348222758 1135419411 /nfs/dbraw/zinc/41/94/11/1135419411.db2.gz AFRODLBEPMISOW-MRXNPFEDSA-N 1 2 345.443 3.716 20 0 EHADLO Fc1ccccc1CO[C@@H]1CCC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000348222758 1135419415 /nfs/dbraw/zinc/41/94/15/1135419415.db2.gz AFRODLBEPMISOW-MRXNPFEDSA-N 1 2 345.443 3.716 20 0 EHADLO Fc1ccc(F)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1F ZINC001137934518 1135440464 /nfs/dbraw/zinc/44/04/64/1135440464.db2.gz AKHOVMAHMIPSCO-HNNXBMFYSA-N 1 2 348.359 3.799 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695041 1135456422 /nfs/dbraw/zinc/45/64/22/1135456422.db2.gz SZJHJXRJYIICKQ-YJYMSZOUSA-N 1 2 345.389 3.841 20 0 EHADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695041 1135456424 /nfs/dbraw/zinc/45/64/24/1135456424.db2.gz SZJHJXRJYIICKQ-YJYMSZOUSA-N 1 2 345.389 3.841 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CCCCCC1 ZINC001195766464 1135462655 /nfs/dbraw/zinc/46/26/55/1135462655.db2.gz FGDALEMTGLEUMW-IAGOWNOFSA-N 1 2 337.504 3.968 20 0 EHADLO C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775672302 1135469698 /nfs/dbraw/zinc/46/96/98/1135469698.db2.gz KAJDKKHBCMZWIS-QAPCUYQASA-N 1 2 341.455 3.589 20 0 EHADLO C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775672302 1135469701 /nfs/dbraw/zinc/46/97/01/1135469701.db2.gz KAJDKKHBCMZWIS-QAPCUYQASA-N 1 2 341.455 3.589 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001195852113 1135474985 /nfs/dbraw/zinc/47/49/85/1135474985.db2.gz WGPUYPLZWCVHIX-MRXNPFEDSA-N 1 2 326.440 3.668 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC001195852113 1135474990 /nfs/dbraw/zinc/47/49/90/1135474990.db2.gz WGPUYPLZWCVHIX-MRXNPFEDSA-N 1 2 326.440 3.668 20 0 EHADLO C[N@H+](Cc1nc([C@@H]2CCSc3ccccc32)no1)[C@@H]1CCSC1 ZINC000867149529 1135502263 /nfs/dbraw/zinc/50/22/63/1135502263.db2.gz YYNHAALISHJBID-TZMCWYRMSA-N 1 2 347.509 3.635 20 0 EHADLO C[N@@H+](Cc1nc([C@@H]2CCSc3ccccc32)no1)[C@@H]1CCSC1 ZINC000867149529 1135502267 /nfs/dbraw/zinc/50/22/67/1135502267.db2.gz YYNHAALISHJBID-TZMCWYRMSA-N 1 2 347.509 3.635 20 0 EHADLO CCC(CC)n1nc(C)cc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000775684650 1135511122 /nfs/dbraw/zinc/51/11/22/1135511122.db2.gz NVNJSOAOYKQXJM-UHFFFAOYSA-N 1 2 344.459 3.503 20 0 EHADLO COc1ccccc1NC(=S)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001196252191 1135536439 /nfs/dbraw/zinc/53/64/39/1135536439.db2.gz SWBOLJSGBCCLTJ-UHFFFAOYSA-N 1 2 338.436 3.749 20 0 EHADLO O=C(C[NH2+][C@H](C(F)F)C1CCCCC1)N(C1CC1)C1CCCC1 ZINC001196263672 1135537551 /nfs/dbraw/zinc/53/75/51/1135537551.db2.gz QTRCEJYDSKRUEQ-KRWDZBQOSA-N 1 2 328.447 3.724 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cc(Cl)c(F)cc1O ZINC001196477890 1135565640 /nfs/dbraw/zinc/56/56/40/1135565640.db2.gz JFEAYFCUHMVAPZ-OAHLLOKOSA-N 1 2 348.805 3.934 20 0 EHADLO C/C(=C/c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184414 1135584647 /nfs/dbraw/zinc/58/46/47/1135584647.db2.gz YXNCHJDCNHCYIO-VHUCWBOISA-N 1 2 339.439 3.765 20 0 EHADLO C/C(=C/c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1)C1CC1 ZINC000867184414 1135584652 /nfs/dbraw/zinc/58/46/52/1135584652.db2.gz YXNCHJDCNHCYIO-VHUCWBOISA-N 1 2 339.439 3.765 20 0 EHADLO CC(C)c1cn(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(=S)n1C ZINC000747454015 1135610402 /nfs/dbraw/zinc/61/04/02/1135610402.db2.gz OEIRUDPHJQMZMK-SFHVURJKSA-N 1 2 345.512 3.883 20 0 EHADLO CC(C)c1cn(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(=S)n1C ZINC000747454015 1135610406 /nfs/dbraw/zinc/61/04/06/1135610406.db2.gz OEIRUDPHJQMZMK-SFHVURJKSA-N 1 2 345.512 3.883 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000808138224 1135622314 /nfs/dbraw/zinc/62/23/14/1135622314.db2.gz JJOLLRKWFRTARB-INIZCTEOSA-N 1 2 344.377 3.623 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000808138224 1135622317 /nfs/dbraw/zinc/62/23/17/1135622317.db2.gz JJOLLRKWFRTARB-INIZCTEOSA-N 1 2 344.377 3.623 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000808148361 1135624397 /nfs/dbraw/zinc/62/43/97/1135624397.db2.gz VXQHOPBYUHRJQR-UHFFFAOYSA-N 1 2 336.426 3.925 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000808148361 1135624398 /nfs/dbraw/zinc/62/43/98/1135624398.db2.gz VXQHOPBYUHRJQR-UHFFFAOYSA-N 1 2 336.426 3.925 20 0 EHADLO O[C@H]1c2ccccc2OC[C@@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000808171883 1135630529 /nfs/dbraw/zinc/63/05/29/1135630529.db2.gz NFVZYKOFTWTWQT-YJBOKZPZSA-N 1 2 326.783 3.795 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccccn1 ZINC000808229098 1135633132 /nfs/dbraw/zinc/63/31/32/1135633132.db2.gz ZSHNBLOUUNGMJK-HNNXBMFYSA-N 1 2 343.500 3.575 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccccn1 ZINC000808229098 1135633135 /nfs/dbraw/zinc/63/31/35/1135633135.db2.gz ZSHNBLOUUNGMJK-HNNXBMFYSA-N 1 2 343.500 3.575 20 0 EHADLO Fc1ccccc1N(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1 ZINC001196960479 1135634530 /nfs/dbraw/zinc/63/45/30/1135634530.db2.gz DKTFIWKBVJLSOE-UHFFFAOYSA-N 1 2 348.849 3.818 20 0 EHADLO C[C@@]1(C(F)(F)F)C[N@H+](C[C@H](O)c2cccc3ccccc32)CCO1 ZINC001197096344 1135645708 /nfs/dbraw/zinc/64/57/08/1135645708.db2.gz VGAZRRLDICSDIQ-IRXDYDNUSA-N 1 2 339.357 3.526 20 0 EHADLO C[C@@]1(C(F)(F)F)C[N@@H+](C[C@H](O)c2cccc3ccccc32)CCO1 ZINC001197096344 1135645712 /nfs/dbraw/zinc/64/57/12/1135645712.db2.gz VGAZRRLDICSDIQ-IRXDYDNUSA-N 1 2 339.357 3.526 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1O ZINC001203872268 1135654833 /nfs/dbraw/zinc/65/48/33/1135654833.db2.gz XLOHQQAEOWIYKS-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1O ZINC001203872268 1135654836 /nfs/dbraw/zinc/65/48/36/1135654836.db2.gz XLOHQQAEOWIYKS-UHFFFAOYSA-N 1 2 337.341 3.978 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC001197229313 1135662238 /nfs/dbraw/zinc/66/22/38/1135662238.db2.gz DTBSZMJBJZMPLJ-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC001197229313 1135662242 /nfs/dbraw/zinc/66/22/42/1135662242.db2.gz DTBSZMJBJZMPLJ-LSDHHAIUSA-N 1 2 330.255 3.652 20 0 EHADLO S=C(Nc1ccc(Cl)cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001197355534 1135677302 /nfs/dbraw/zinc/67/73/02/1135677302.db2.gz JREOLZOIMPIDLN-HNNXBMFYSA-N 1 2 346.887 3.690 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001197352216 1135677333 /nfs/dbraw/zinc/67/73/33/1135677333.db2.gz SEPMVMTYKXFVFW-AWEZNQCLSA-N 1 2 332.407 3.665 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001197542633 1135703209 /nfs/dbraw/zinc/70/32/09/1135703209.db2.gz MAQSIGSHKSOAJK-AWEZNQCLSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001197542633 1135703211 /nfs/dbraw/zinc/70/32/11/1135703211.db2.gz MAQSIGSHKSOAJK-AWEZNQCLSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCc3c2cccc3Cl)c(N(C)C)[nH+]1 ZINC000775782283 1135726653 /nfs/dbraw/zinc/72/66/53/1135726653.db2.gz VKNQWGBXKGHDML-CQSZACIVSA-N 1 2 329.831 3.778 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000794431031 1135746160 /nfs/dbraw/zinc/74/61/60/1135746160.db2.gz BSQJERDJIFJVPB-ZDUSSCGKSA-N 1 2 341.883 3.775 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000794431031 1135746162 /nfs/dbraw/zinc/74/61/62/1135746162.db2.gz BSQJERDJIFJVPB-ZDUSSCGKSA-N 1 2 341.883 3.775 20 0 EHADLO Cc1ccc(NC(=S)N2CCCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC001197961011 1135757224 /nfs/dbraw/zinc/75/72/24/1135757224.db2.gz RUAKQLBELDGHBK-UHFFFAOYSA-N 1 2 340.496 3.608 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1c(F)cccc1F ZINC001197979296 1135763267 /nfs/dbraw/zinc/76/32/67/1135763267.db2.gz WXHRYSAXRQKEEN-MEDUHNTESA-N 1 2 334.341 3.560 20 0 EHADLO FC(F)(F)c1cnc(C2CC[NH+](Cc3cc(C4CC4)no3)CC2)[nH]1 ZINC001198164355 1135781483 /nfs/dbraw/zinc/78/14/83/1135781483.db2.gz HYUYASOMSYYMEO-UHFFFAOYSA-N 1 2 340.349 3.674 20 0 EHADLO CN(CCC[N@@H+]1CCn2nc(C(C)(C)C)cc2C1)c1ccccc1 ZINC001198364119 1135805235 /nfs/dbraw/zinc/80/52/35/1135805235.db2.gz ZDVUKBGQULQZCU-UHFFFAOYSA-N 1 2 326.488 3.523 20 0 EHADLO CN(CCC[N@H+]1CCn2nc(C(C)(C)C)cc2C1)c1ccccc1 ZINC001198364119 1135805242 /nfs/dbraw/zinc/80/52/42/1135805242.db2.gz ZDVUKBGQULQZCU-UHFFFAOYSA-N 1 2 326.488 3.523 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC001198387341 1135808140 /nfs/dbraw/zinc/80/81/40/1135808140.db2.gz HXKNQBMMQRISSS-BXWFABGCSA-N 1 2 331.456 3.812 20 0 EHADLO COC(=O)[C@@H]1c2ccccc2OCC[N@@H+]1CC[C@@H]1CCC[C@H](C)C1 ZINC001198387341 1135808148 /nfs/dbraw/zinc/80/81/48/1135808148.db2.gz HXKNQBMMQRISSS-BXWFABGCSA-N 1 2 331.456 3.812 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC001198354477 1135809482 /nfs/dbraw/zinc/80/94/82/1135809482.db2.gz HVCAFNIHSFXFSE-UHFFFAOYSA-N 1 2 331.847 3.828 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC001198354477 1135809488 /nfs/dbraw/zinc/80/94/88/1135809488.db2.gz HVCAFNIHSFXFSE-UHFFFAOYSA-N 1 2 331.847 3.828 20 0 EHADLO Cc1ccccc1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001198420774 1135813272 /nfs/dbraw/zinc/81/32/72/1135813272.db2.gz OSLIRJNOKAIQSF-INIZCTEOSA-N 1 2 327.453 3.630 20 0 EHADLO c1cc(-c2ccccc2)oc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809608289 1135856777 /nfs/dbraw/zinc/85/67/77/1135856777.db2.gz PCPSULAYODNXPE-UHFFFAOYSA-N 1 2 342.420 3.738 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592897 1135859032 /nfs/dbraw/zinc/85/90/32/1135859032.db2.gz KGOZWSBPPXKFGU-SJORKVTESA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc2occc2c1)c1cccs1 ZINC000809592897 1135859036 /nfs/dbraw/zinc/85/90/36/1135859036.db2.gz KGOZWSBPPXKFGU-SJORKVTESA-N 1 2 343.448 3.819 20 0 EHADLO CCc1ccccc1C[NH2+]Cc1nc2ccccn2c1Br ZINC000809622434 1135861727 /nfs/dbraw/zinc/86/17/27/1135861727.db2.gz GOPRMGJJESZEFY-UHFFFAOYSA-N 1 2 344.256 3.949 20 0 EHADLO O[C@H](C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccccc1 ZINC000104723974 1135864872 /nfs/dbraw/zinc/86/48/72/1135864872.db2.gz NYCJPZRKPODDAW-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO O[C@H](C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccccc1 ZINC000104723974 1135864874 /nfs/dbraw/zinc/86/48/74/1135864874.db2.gz NYCJPZRKPODDAW-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000809656094 1135866541 /nfs/dbraw/zinc/86/65/41/1135866541.db2.gz WLIDTSLIXXXMAI-OAHLLOKOSA-N 1 2 338.245 3.892 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1oc(C)nc1C ZINC000809974391 1135907277 /nfs/dbraw/zinc/90/72/77/1135907277.db2.gz VSWDKIQOONTZAU-OAHLLOKOSA-N 1 2 337.464 3.513 20 0 EHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1oc(C)nc1C ZINC000809974391 1135907280 /nfs/dbraw/zinc/90/72/80/1135907280.db2.gz VSWDKIQOONTZAU-OAHLLOKOSA-N 1 2 337.464 3.513 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810024375 1135910875 /nfs/dbraw/zinc/91/08/75/1135910875.db2.gz HFHXYNOWALKCJH-MJGOQNOKSA-N 1 2 344.499 3.812 20 0 EHADLO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810024375 1135910877 /nfs/dbraw/zinc/91/08/77/1135910877.db2.gz HFHXYNOWALKCJH-MJGOQNOKSA-N 1 2 344.499 3.812 20 0 EHADLO CCn1ccnc1C[NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC001199583095 1135915279 /nfs/dbraw/zinc/91/52/79/1135915279.db2.gz TVURTAYLKKMLFO-UHFFFAOYSA-N 1 2 348.450 3.754 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810100055 1135921172 /nfs/dbraw/zinc/92/11/72/1135921172.db2.gz UOWGEYLMONZFQV-MRXNPFEDSA-N 1 2 344.499 3.627 20 0 EHADLO CCCCC[C@@H](C)NC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810100055 1135921173 /nfs/dbraw/zinc/92/11/73/1135921173.db2.gz UOWGEYLMONZFQV-MRXNPFEDSA-N 1 2 344.499 3.627 20 0 EHADLO C[C@@H]([NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374694 1135960294 /nfs/dbraw/zinc/96/02/94/1135960294.db2.gz CHTXAZTWRRHKGA-OCCSQVGLSA-N 1 2 346.368 3.667 20 0 EHADLO C[C@@H]([NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1)c1ccccc1 ZINC000810374694 1135960295 /nfs/dbraw/zinc/96/02/95/1135960295.db2.gz CHTXAZTWRRHKGA-OCCSQVGLSA-N 1 2 346.368 3.667 20 0 EHADLO Cc1ccc(CCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810589069 1135978932 /nfs/dbraw/zinc/97/89/32/1135978932.db2.gz ZSIOUNVZNRFRHT-UHFFFAOYSA-N 1 2 334.419 3.568 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001201112782 1135984400 /nfs/dbraw/zinc/98/44/00/1135984400.db2.gz ASXXEHUBROKYCZ-OAHLLOKOSA-N 1 2 346.887 3.690 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCCc1ccsc1 ZINC000810666319 1135991117 /nfs/dbraw/zinc/99/11/17/1135991117.db2.gz OESGLIPWVBBDJS-UHFFFAOYSA-N 1 2 340.448 3.711 20 0 EHADLO C[C@@H](C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1cccc(Cl)c1 ZINC001132404596 1135994326 /nfs/dbraw/zinc/99/43/26/1135994326.db2.gz KCBGHGSQEZECJT-ACJLOTCBSA-N 1 2 328.843 3.746 20 0 EHADLO C[C@@H](C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1cccc(Cl)c1 ZINC001132404596 1135994327 /nfs/dbraw/zinc/99/43/27/1135994327.db2.gz KCBGHGSQEZECJT-ACJLOTCBSA-N 1 2 328.843 3.746 20 0 EHADLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1F ZINC000810660631 1135994964 /nfs/dbraw/zinc/99/49/64/1135994964.db2.gz MGTZFLXVCWZXBM-OAHLLOKOSA-N 1 2 338.382 3.917 20 0 EHADLO COc1ccc(NC(=O)c2ccc(Nc3ccc(N)[nH+]c3)cc2)cc1 ZINC001201286826 1136000856 /nfs/dbraw/zinc/00/08/56/1136000856.db2.gz BUNNILHEGAXMAC-UHFFFAOYSA-N 1 2 334.379 3.668 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000747675473 1136049760 /nfs/dbraw/zinc/04/97/60/1136049760.db2.gz RCEGGKWHQGMZBR-UHFFFAOYSA-N 1 2 342.439 3.672 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)C[C@H]2CC2(Cl)Cl)cc1 ZINC000747681192 1136052736 /nfs/dbraw/zinc/05/27/36/1136052736.db2.gz IZIXHAUWOLPYIO-IUODEOHRSA-N 1 2 343.298 3.681 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)C[C@H]2CC2(Cl)Cl)cc1 ZINC000747681192 1136052738 /nfs/dbraw/zinc/05/27/38/1136052738.db2.gz IZIXHAUWOLPYIO-IUODEOHRSA-N 1 2 343.298 3.681 20 0 EHADLO O=C(Nc1ccccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202061377 1136087260 /nfs/dbraw/zinc/08/72/60/1136087260.db2.gz KCLOQFKWSRMGTJ-CQSZACIVSA-N 1 2 343.805 3.677 20 0 EHADLO Cc1ccccc1NC(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001202194229 1136109107 /nfs/dbraw/zinc/10/91/07/1136109107.db2.gz GMYXEQNLROJSBN-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Cc1[nH]c(CNc2cccc3cncc(Br)c32)[nH+]c1C ZINC001202214457 1136111626 /nfs/dbraw/zinc/11/16/26/1136111626.db2.gz ZKELTOCYCJWGRF-UHFFFAOYSA-N 1 2 331.217 3.949 20 0 EHADLO CC(C)c1cnc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC001202233201 1136118088 /nfs/dbraw/zinc/11/80/88/1136118088.db2.gz ISVDNOPZQYHCQV-OKILXGFUSA-N 1 2 346.500 3.887 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000811743463 1136129099 /nfs/dbraw/zinc/12/90/99/1136129099.db2.gz RUFKTTVLYCMXDB-LBPRGKRZSA-N 1 2 327.325 3.796 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000811743463 1136129101 /nfs/dbraw/zinc/12/91/01/1136129101.db2.gz RUFKTTVLYCMXDB-LBPRGKRZSA-N 1 2 327.325 3.796 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C3CC3)C3CCCC3)c(=O)cc2C)cc1 ZINC000811731220 1136131477 /nfs/dbraw/zinc/13/14/77/1136131477.db2.gz DNEBRDPIOQWHCJ-UHFFFAOYSA-N 1 2 337.467 3.892 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C3CC3)C3CCCC3)c(=O)cc2C)cc1 ZINC000811731220 1136131480 /nfs/dbraw/zinc/13/14/80/1136131480.db2.gz DNEBRDPIOQWHCJ-UHFFFAOYSA-N 1 2 337.467 3.892 20 0 EHADLO Cc1ccc(-c2nn(C[NH+]3CCCCCCC3)c(=O)cc2C)cc1 ZINC000811727855 1136131654 /nfs/dbraw/zinc/13/16/54/1136131654.db2.gz PZXQOXAJAHYPEJ-UHFFFAOYSA-N 1 2 325.456 3.751 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)c(=O)cc2C)cc1 ZINC000811732353 1136132089 /nfs/dbraw/zinc/13/20/89/1136132089.db2.gz QFPQYJWNHDKASP-VQIMIIECSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)c(=O)cc2C)cc1 ZINC000811732353 1136132091 /nfs/dbraw/zinc/13/20/91/1136132091.db2.gz QFPQYJWNHDKASP-VQIMIIECSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+](C)[C@H]3CCC(C)(C)C3)c(=O)cc2C)cc1 ZINC000811772642 1136133531 /nfs/dbraw/zinc/13/35/31/1136133531.db2.gz YXYABJDLDKBUNB-SFHVURJKSA-N 1 2 339.483 3.995 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+](C)[C@H]3CCC(C)(C)C3)c(=O)cc2C)cc1 ZINC000811772642 1136133533 /nfs/dbraw/zinc/13/35/33/1136133533.db2.gz YXYABJDLDKBUNB-SFHVURJKSA-N 1 2 339.483 3.995 20 0 EHADLO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811752870 1136135909 /nfs/dbraw/zinc/13/59/09/1136135909.db2.gz JLEAMZNSAPDCMI-OAHLLOKOSA-N 1 2 327.472 3.853 20 0 EHADLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811752870 1136135913 /nfs/dbraw/zinc/13/59/13/1136135913.db2.gz JLEAMZNSAPDCMI-OAHLLOKOSA-N 1 2 327.472 3.853 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000811754873 1136135962 /nfs/dbraw/zinc/13/59/62/1136135962.db2.gz LQXLTUQWTVCWEJ-UHFFFAOYSA-N 1 2 333.423 3.920 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000811754873 1136135965 /nfs/dbraw/zinc/13/59/65/1136135965.db2.gz LQXLTUQWTVCWEJ-UHFFFAOYSA-N 1 2 333.423 3.920 20 0 EHADLO Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1 ZINC001202420937 1136139553 /nfs/dbraw/zinc/13/95/53/1136139553.db2.gz CEUGDXCLGOMIEE-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1 ZINC001202420937 1136139555 /nfs/dbraw/zinc/13/95/55/1136139555.db2.gz CEUGDXCLGOMIEE-MRXNPFEDSA-N 1 2 341.430 3.872 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1=S ZINC000811794057 1136141395 /nfs/dbraw/zinc/14/13/95/1136141395.db2.gz YORZPYGYMBTSHY-DLBZAZTESA-N 1 2 343.496 3.700 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1=S ZINC000811794057 1136141399 /nfs/dbraw/zinc/14/13/99/1136141399.db2.gz YORZPYGYMBTSHY-DLBZAZTESA-N 1 2 343.496 3.700 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1=S ZINC000811794059 1136141633 /nfs/dbraw/zinc/14/16/33/1136141633.db2.gz YORZPYGYMBTSHY-IRXDYDNUSA-N 1 2 343.496 3.700 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1=S ZINC000811794059 1136141635 /nfs/dbraw/zinc/14/16/35/1136141635.db2.gz YORZPYGYMBTSHY-IRXDYDNUSA-N 1 2 343.496 3.700 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033157 1136146595 /nfs/dbraw/zinc/14/65/95/1136146595.db2.gz RKHFABICDMYZBL-GHTZIAJQSA-N 1 2 347.462 3.928 20 0 EHADLO CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@@H]1CCOC1 ZINC000812780431 1136246899 /nfs/dbraw/zinc/24/68/99/1136246899.db2.gz DQBREZIUSPVWRH-MRXNPFEDSA-N 1 2 333.863 3.504 20 0 EHADLO CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@@H]1CCOC1 ZINC000812780431 1136246902 /nfs/dbraw/zinc/24/69/02/1136246902.db2.gz DQBREZIUSPVWRH-MRXNPFEDSA-N 1 2 333.863 3.504 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)o2)c1 ZINC000776480574 1136294391 /nfs/dbraw/zinc/29/43/91/1136294391.db2.gz WVDJGWYKQBBROY-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CC(C)c1cccc(-c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)o2)c1 ZINC000776480574 1136294394 /nfs/dbraw/zinc/29/43/94/1136294394.db2.gz WVDJGWYKQBBROY-HNNXBMFYSA-N 1 2 326.440 3.846 20 0 EHADLO CC(C)COC[C@@H](N[C@@H](C)c1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000813324647 1136315845 /nfs/dbraw/zinc/31/58/45/1136315845.db2.gz QJOVQKONKFTQBR-DOTOQJQBSA-N 1 2 331.460 3.877 20 0 EHADLO FC(F)(F)c1c[nH]c2[nH+]ccc(NCc3cccc4ccnn43)c12 ZINC001170707172 1136335665 /nfs/dbraw/zinc/33/56/65/1136335665.db2.gz HIFMHUYMZIHSDN-UHFFFAOYSA-N 1 2 331.301 3.842 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1CCC2(CC2)CC1 ZINC000851401612 1136376708 /nfs/dbraw/zinc/37/67/08/1136376708.db2.gz OTEAVNNRPZULLG-UHFFFAOYSA-N 1 2 328.456 3.812 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851402269 1136377249 /nfs/dbraw/zinc/37/72/49/1136377249.db2.gz WCMIQJXWUDLJNB-AWEZNQCLSA-N 1 2 344.377 3.820 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccccc2C)cc1 ZINC000851793168 1136407755 /nfs/dbraw/zinc/40/77/55/1136407755.db2.gz XKPHDEDRNKNLLB-CYBMUJFWSA-N 1 2 343.452 3.591 20 0 EHADLO CCN1CC[C@@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1=O ZINC001170731460 1136412490 /nfs/dbraw/zinc/41/24/90/1136412490.db2.gz DXOLOVLTYZDGNA-OAHLLOKOSA-N 1 2 341.282 3.794 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OCCC(C)C ZINC000814181202 1136418203 /nfs/dbraw/zinc/41/82/03/1136418203.db2.gz XOLBCZPHMWEUBS-INIZCTEOSA-N 1 2 349.471 3.646 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OCCC(C)C ZINC000814181202 1136418206 /nfs/dbraw/zinc/41/82/06/1136418206.db2.gz XOLBCZPHMWEUBS-INIZCTEOSA-N 1 2 349.471 3.646 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC=C(Cl)Cl ZINC000851997150 1136426215 /nfs/dbraw/zinc/42/62/15/1136426215.db2.gz FPKWBWPSALXWSF-NSHDSACASA-N 1 2 329.227 3.955 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC=C(Cl)Cl ZINC000851997150 1136426213 /nfs/dbraw/zinc/42/62/13/1136426213.db2.gz FPKWBWPSALXWSF-NSHDSACASA-N 1 2 329.227 3.955 20 0 EHADLO OC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000852004011 1136426518 /nfs/dbraw/zinc/42/65/18/1136426518.db2.gz NTOYGFFJEAUMPE-ZDUSSCGKSA-N 1 2 348.727 3.716 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000852017384 1136427870 /nfs/dbraw/zinc/42/78/70/1136427870.db2.gz XPCBDEBNBLXSQA-HZPDHXFCSA-N 1 2 326.444 3.592 20 0 EHADLO CCc1oc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1C(=O)OC ZINC000338942072 1136438132 /nfs/dbraw/zinc/43/81/32/1136438132.db2.gz OZPRXZZVQFEGDU-UHFFFAOYSA-N 1 2 340.379 3.573 20 0 EHADLO CC(C)COC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000776582125 1136445124 /nfs/dbraw/zinc/44/51/24/1136445124.db2.gz QUYXCHDLVDQQHV-UHFFFAOYSA-N 1 2 348.418 3.544 20 0 EHADLO CC(C)COC(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000776582125 1136445126 /nfs/dbraw/zinc/44/51/26/1136445126.db2.gz QUYXCHDLVDQQHV-UHFFFAOYSA-N 1 2 348.418 3.544 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544678 1136464472 /nfs/dbraw/zinc/46/44/72/1136464472.db2.gz WJFMGHRXIHDKHF-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000852544678 1136464474 /nfs/dbraw/zinc/46/44/74/1136464474.db2.gz WJFMGHRXIHDKHF-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@H](CC(F)(F)F)C1)c1cccc2ccccc21 ZINC000852740728 1136482385 /nfs/dbraw/zinc/48/23/85/1136482385.db2.gz STMSSPWWMYQARO-PBHICJAKSA-N 1 2 339.357 3.526 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@H](CC(F)(F)F)C1)c1cccc2ccccc21 ZINC000852740728 1136482386 /nfs/dbraw/zinc/48/23/86/1136482386.db2.gz STMSSPWWMYQARO-PBHICJAKSA-N 1 2 339.357 3.526 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](CC)c2ccccc2OC)n1 ZINC000814630355 1136482749 /nfs/dbraw/zinc/48/27/49/1136482749.db2.gz UUCMNVWQNQMZIG-ZDUSSCGKSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H](C)C2)cc1C ZINC000747967559 1136488437 /nfs/dbraw/zinc/48/84/37/1136488437.db2.gz GACBKUGWGQVINI-SFHVURJKSA-N 1 2 326.488 3.792 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H](C)C2)cc1C ZINC000747967559 1136488438 /nfs/dbraw/zinc/48/84/38/1136488438.db2.gz GACBKUGWGQVINI-SFHVURJKSA-N 1 2 326.488 3.792 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000338954162 1136495794 /nfs/dbraw/zinc/49/57/94/1136495794.db2.gz WRHXRFNLPDSQDX-CQSZACIVSA-N 1 2 349.805 3.569 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000338954162 1136495796 /nfs/dbraw/zinc/49/57/96/1136495796.db2.gz WRHXRFNLPDSQDX-CQSZACIVSA-N 1 2 349.805 3.569 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](c2cccs2)C2CC2)c1C ZINC000747986183 1136532273 /nfs/dbraw/zinc/53/22/73/1136532273.db2.gz YWWYAEWVZMMXLI-MRXNPFEDSA-N 1 2 345.468 3.719 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)c1cc2ccccc2o1 ZINC000815033850 1136543192 /nfs/dbraw/zinc/54/31/92/1136543192.db2.gz VUFVBIKJMZJGRM-XLIONFOSSA-N 1 2 341.382 3.679 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2cccc(F)c2)C1)c1cc2ccccc2o1 ZINC000815033850 1136543194 /nfs/dbraw/zinc/54/31/94/1136543194.db2.gz VUFVBIKJMZJGRM-XLIONFOSSA-N 1 2 341.382 3.679 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853563229 1136544709 /nfs/dbraw/zinc/54/47/09/1136544709.db2.gz ORLPNBMSRBBBQI-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853563229 1136544710 /nfs/dbraw/zinc/54/47/10/1136544710.db2.gz ORLPNBMSRBBBQI-UHFFFAOYSA-N 1 2 345.516 3.873 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@@H](C3CCC3)C1)c2=O ZINC000853590188 1136547016 /nfs/dbraw/zinc/54/70/16/1136547016.db2.gz SQEJGPPYRADGOY-OAHLLOKOSA-N 1 2 331.485 3.544 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@@H](C3CCC3)C1)c2=O ZINC000853590188 1136547018 /nfs/dbraw/zinc/54/70/18/1136547018.db2.gz SQEJGPPYRADGOY-OAHLLOKOSA-N 1 2 331.485 3.544 20 0 EHADLO Cn1ncc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1Cl ZINC000815127597 1136554607 /nfs/dbraw/zinc/55/46/07/1136554607.db2.gz CATASLOBGVAHIF-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000815170515 1136565804 /nfs/dbraw/zinc/56/58/04/1136565804.db2.gz VEXOAFBQPVWDSX-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000815170515 1136565808 /nfs/dbraw/zinc/56/58/08/1136565808.db2.gz VEXOAFBQPVWDSX-INIZCTEOSA-N 1 2 329.749 3.923 20 0 EHADLO O=C(c1ccc(CF)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000854175212 1136595840 /nfs/dbraw/zinc/59/58/40/1136595840.db2.gz CMEQKTNENQSYJL-QPJJXVBHSA-N 1 2 338.426 3.627 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000748000154 1136604683 /nfs/dbraw/zinc/60/46/83/1136604683.db2.gz ODPQRXINVDBECL-UHFFFAOYSA-N 1 2 342.402 3.863 20 0 EHADLO O=C(c1ccc(CF)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344963 1136609538 /nfs/dbraw/zinc/60/95/38/1136609538.db2.gz XVXQWDNJMAGHRG-KRWDZBQOSA-N 1 2 341.430 3.709 20 0 EHADLO O=C(NCCCCOc1ccc(Cl)cc1)c1cccc2[nH+]ccn21 ZINC000776754415 1136643283 /nfs/dbraw/zinc/64/32/83/1136643283.db2.gz XZHLHGXMOTXFIY-UHFFFAOYSA-N 1 2 343.814 3.577 20 0 EHADLO Cc1c(C(=O)OCCOCCCc2cccc(C)[nH+]2)ccn1C(C)C ZINC000815948057 1136656546 /nfs/dbraw/zinc/65/65/46/1136656546.db2.gz YDSOEAKJCMULST-UHFFFAOYSA-N 1 2 344.455 3.887 20 0 EHADLO COc1cccc(CN(CC(C)C)C(=O)c2cccc3[nH+]ccn32)c1 ZINC000776804070 1136685840 /nfs/dbraw/zinc/68/58/40/1136685840.db2.gz AXNMUUHUAIKNDZ-UHFFFAOYSA-N 1 2 337.423 3.641 20 0 EHADLO CCCN(C(=O)c1cccc2[nH+]ccn21)[C@@H](C)c1ccccc1OC ZINC000776804336 1136686053 /nfs/dbraw/zinc/68/60/53/1136686053.db2.gz FBLNNDUURGYHSE-HNNXBMFYSA-N 1 2 337.423 3.956 20 0 EHADLO CSCc1cnc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000816520324 1136727109 /nfs/dbraw/zinc/72/71/09/1136727109.db2.gz MBYKRTHRKHAWJZ-GXTWGEPZSA-N 1 2 338.498 3.687 20 0 EHADLO CSCc1cnc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000816520324 1136727110 /nfs/dbraw/zinc/72/71/10/1136727110.db2.gz MBYKRTHRKHAWJZ-GXTWGEPZSA-N 1 2 338.498 3.687 20 0 EHADLO Cc1nc(-c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)oc1C ZINC000776843406 1136740171 /nfs/dbraw/zinc/74/01/71/1136740171.db2.gz ZGFNQWKBDROOKV-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO c1cc(C[N@H+](Cc2nnc3n2CCCCC3)C2CCCCC2)co1 ZINC000265989119 1136742996 /nfs/dbraw/zinc/74/29/96/1136742996.db2.gz IYICGUUTKUKFBG-UHFFFAOYSA-N 1 2 328.460 3.932 20 0 EHADLO c1cc(C[N@@H+](Cc2nnc3n2CCCCC3)C2CCCCC2)co1 ZINC000265989119 1136742998 /nfs/dbraw/zinc/74/29/98/1136742998.db2.gz IYICGUUTKUKFBG-UHFFFAOYSA-N 1 2 328.460 3.932 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000816636715 1136743104 /nfs/dbraw/zinc/74/31/04/1136743104.db2.gz FUACNIFNRWJHMT-HNNXBMFYSA-N 1 2 333.863 3.672 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000816636715 1136743105 /nfs/dbraw/zinc/74/31/05/1136743105.db2.gz FUACNIFNRWJHMT-HNNXBMFYSA-N 1 2 333.863 3.672 20 0 EHADLO O=c1sc2c(n1C[N@@H+](CCc1cccc(F)c1)C1CC1)CCCC2 ZINC000113923956 1136757429 /nfs/dbraw/zinc/75/74/29/1136757429.db2.gz WABSUQCMOZZNPX-UHFFFAOYSA-N 1 2 346.471 3.592 20 0 EHADLO O=c1sc2c(n1C[N@H+](CCc1cccc(F)c1)C1CC1)CCCC2 ZINC000113923956 1136757430 /nfs/dbraw/zinc/75/74/30/1136757430.db2.gz WABSUQCMOZZNPX-UHFFFAOYSA-N 1 2 346.471 3.592 20 0 EHADLO CC[C@@H]1C[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C[C@@H](CC)O1 ZINC000817280341 1136790965 /nfs/dbraw/zinc/79/09/65/1136790965.db2.gz CTSCVTXNPCCIFF-USXIJHARSA-N 1 2 329.444 3.995 20 0 EHADLO CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc2[nH+]ccn21 ZINC000776889729 1136791238 /nfs/dbraw/zinc/79/12/38/1136791238.db2.gz FTSJXGHOAQBZIF-UHFFFAOYSA-N 1 2 327.815 3.739 20 0 EHADLO CC[NH+]1CCN(C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)CC1 ZINC001135860085 1136792617 /nfs/dbraw/zinc/79/26/17/1136792617.db2.gz QBWFYROSBFHCPF-UHFFFAOYSA-N 1 2 326.440 3.848 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1=S ZINC000114445209 1136798276 /nfs/dbraw/zinc/79/82/76/1136798276.db2.gz KTNSDTILQQQNBB-AWEZNQCLSA-N 1 2 346.422 3.756 20 0 EHADLO FC(F)(F)Cn1cnn(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1=S ZINC000114445209 1136798280 /nfs/dbraw/zinc/79/82/80/1136798280.db2.gz KTNSDTILQQQNBB-AWEZNQCLSA-N 1 2 346.422 3.756 20 0 EHADLO CC[N@H+](CCS(=O)(=O)C1CCCCC1)[C@@H](C)c1cccc(O)c1 ZINC000856727118 1136803845 /nfs/dbraw/zinc/80/38/45/1136803845.db2.gz JDHDZZCKWLTJKS-HNNXBMFYSA-N 1 2 339.501 3.523 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)C1CCCCC1)[C@@H](C)c1cccc(O)c1 ZINC000856727118 1136803848 /nfs/dbraw/zinc/80/38/48/1136803848.db2.gz JDHDZZCKWLTJKS-HNNXBMFYSA-N 1 2 339.501 3.523 20 0 EHADLO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2Br)c(Cl)n1 ZINC000856791032 1136811821 /nfs/dbraw/zinc/81/18/21/1136811821.db2.gz FTQUCVAZLBLHKJ-UHFFFAOYSA-N 1 2 349.059 3.779 20 0 EHADLO Cc1ccc(Cl)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1F ZINC001138030642 1136815441 /nfs/dbraw/zinc/81/54/41/1136815441.db2.gz NELJMVZULKYCAW-UHFFFAOYSA-N 1 2 334.822 3.815 20 0 EHADLO Cc1cc(CNC(=S)Nc2ccc(OC(F)F)cc2)cc(C)[nH+]1 ZINC000817561965 1136828100 /nfs/dbraw/zinc/82/81/00/1136828100.db2.gz FKWFTRDGICOEBS-UHFFFAOYSA-N 1 2 337.395 3.786 20 0 EHADLO OCC[C@H]([NH2+][C@H](c1ccc(Br)cc1)C(F)F)C1CC1 ZINC000857077155 1136841516 /nfs/dbraw/zinc/84/15/16/1136841516.db2.gz ZUAINLFRFGCTJM-QWHCGFSZSA-N 1 2 334.204 3.506 20 0 EHADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nn(CC)nc1C ZINC000818220883 1136867072 /nfs/dbraw/zinc/86/70/72/1136867072.db2.gz JLMFPVNJIBLBLX-CQSZACIVSA-N 1 2 347.482 3.518 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138368 1136876976 /nfs/dbraw/zinc/87/69/76/1136876976.db2.gz LCTLTLKHNRCHDD-KRWDZBQOSA-N 1 2 333.435 3.817 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC001136138368 1136876980 /nfs/dbraw/zinc/87/69/80/1136876980.db2.gz LCTLTLKHNRCHDD-KRWDZBQOSA-N 1 2 333.435 3.817 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136138998 1136877027 /nfs/dbraw/zinc/87/70/27/1136877027.db2.gz LUJCJMSWEOIHLW-UHFFFAOYSA-N 1 2 335.407 3.629 20 0 EHADLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987313 1136927283 /nfs/dbraw/zinc/92/72/83/1136927283.db2.gz TZGSYSRHKSOCGF-MSKHEQNASA-N 1 2 335.329 3.566 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)C12CC3CC(CC(C3)C1)C2 ZINC000857985256 1136927544 /nfs/dbraw/zinc/92/75/44/1136927544.db2.gz OCAUIBNJGNGXIO-IRGFKAPSSA-N 1 2 325.456 3.607 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985091 1136927577 /nfs/dbraw/zinc/92/75/77/1136927577.db2.gz HJQRIDOLXRWHDQ-CQSZACIVSA-N 1 2 338.238 3.774 20 0 EHADLO CC(C)(C)c1ccc(SCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857990472 1136927912 /nfs/dbraw/zinc/92/79/12/1136927912.db2.gz VHMXPFGHSFOMBG-HNNXBMFYSA-N 1 2 329.469 3.534 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)nc1 ZINC000858011056 1136929577 /nfs/dbraw/zinc/92/95/77/1136929577.db2.gz JLVZJXZVYYRUBR-HNNXBMFYSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)nc1 ZINC000858011056 1136929580 /nfs/dbraw/zinc/92/95/80/1136929580.db2.gz JLVZJXZVYYRUBR-HNNXBMFYSA-N 1 2 331.485 3.797 20 0 EHADLO CSc1ccc(OC[C@@H](O)CNc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000819408107 1136936575 /nfs/dbraw/zinc/93/65/75/1136936575.db2.gz LBTZSISVCXRSPM-INIZCTEOSA-N 1 2 346.496 3.635 20 0 EHADLO Cc1ccc(Oc2ccccc2CC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC001136227006 1136944212 /nfs/dbraw/zinc/94/42/12/1136944212.db2.gz ULWLMCZYEJMTCF-KRWDZBQOSA-N 1 2 349.434 3.731 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(CC(F)F)c1cccc(Cl)c1 ZINC000777005875 1136945607 /nfs/dbraw/zinc/94/56/07/1136945607.db2.gz SBMBUNFLKRWTKW-UHFFFAOYSA-N 1 2 335.741 3.900 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2occc2Br)C2CC2)cn1 ZINC000858341250 1136959670 /nfs/dbraw/zinc/95/96/70/1136959670.db2.gz AMNRMHKEDKEJHK-OAHLLOKOSA-N 1 2 337.217 3.687 20 0 EHADLO Fc1cccc(Cl)c1[C@H](CNc1nccnc1F)[NH+]1CCCC1 ZINC000858346950 1136960339 /nfs/dbraw/zinc/96/03/39/1136960339.db2.gz OSPDJVDJTSLQJP-ZDUSSCGKSA-N 1 2 338.789 3.657 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCc4cccnc43)c2)[nH+]c1C ZINC000819846175 1136963793 /nfs/dbraw/zinc/96/37/93/1136963793.db2.gz WLYSONABBOARIW-KRWDZBQOSA-N 1 2 332.407 3.757 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccns2)nnn1-c1ccc(F)cc1 ZINC000858576828 1136980204 /nfs/dbraw/zinc/98/02/04/1136980204.db2.gz FQGUESPDZXJCTA-GHMZBOCLSA-N 1 2 331.420 3.583 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CCCC2)CC1 ZINC000820172193 1136981409 /nfs/dbraw/zinc/98/14/09/1136981409.db2.gz PJCPPCNTTWILSC-ZDUSSCGKSA-N 1 2 329.366 3.559 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000858727258 1136989017 /nfs/dbraw/zinc/98/90/17/1136989017.db2.gz HJQPYWKKUKBBTH-KRWDZBQOSA-N 1 2 340.471 3.811 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)nn1-c1ccc(C)cc1 ZINC000777050988 1136990021 /nfs/dbraw/zinc/99/00/21/1136990021.db2.gz SINWNFSLQQTWGR-UHFFFAOYSA-N 1 2 349.438 3.511 20 0 EHADLO CSCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000858763776 1136991199 /nfs/dbraw/zinc/99/11/99/1136991199.db2.gz NAQYDPSKEMARGP-UHFFFAOYSA-N 1 2 349.475 3.941 20 0 EHADLO Cc1ccccc1COC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000858906582 1136996706 /nfs/dbraw/zinc/99/67/06/1136996706.db2.gz XSWVJYQZSMUUND-UHFFFAOYSA-N 1 2 339.439 3.807 20 0 EHADLO Cc1cccc2nc(C3CC[NH+](Cc4cc(Cl)n(C)n4)CC3)oc21 ZINC000859269130 1137010170 /nfs/dbraw/zinc/01/01/70/1137010170.db2.gz KDGWMMKLSIKXCW-UHFFFAOYSA-N 1 2 344.846 3.903 20 0 EHADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](C)CSc1ccccc1C ZINC000859349882 1137012524 /nfs/dbraw/zinc/01/25/24/1137012524.db2.gz JHBBLUCXUCZHHZ-SUMWQHHRSA-N 1 2 327.465 3.604 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC001136413807 1137016676 /nfs/dbraw/zinc/01/66/76/1137016676.db2.gz IKAXAKJUKMJEON-UHFFFAOYSA-N 1 2 349.434 3.659 20 0 EHADLO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC000859502394 1137017491 /nfs/dbraw/zinc/01/74/91/1137017491.db2.gz PSOOHWAKDSYMAK-ZYHUDNBSSA-N 1 2 348.777 3.821 20 0 EHADLO Clc1cncc(OC2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1 ZINC000821278824 1137020035 /nfs/dbraw/zinc/02/00/35/1137020035.db2.gz GRGFGSOHBMLNTC-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO CSc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000859946155 1137038178 /nfs/dbraw/zinc/03/81/78/1137038178.db2.gz WJCHECQMJCDAFS-RQOWECAXSA-N 1 2 333.482 3.613 20 0 EHADLO CSc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000859946155 1137038179 /nfs/dbraw/zinc/03/81/79/1137038179.db2.gz WJCHECQMJCDAFS-RQOWECAXSA-N 1 2 333.482 3.613 20 0 EHADLO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccns1 ZINC000860052580 1137042022 /nfs/dbraw/zinc/04/20/22/1137042022.db2.gz CVGGFJDVAOJCFR-PBHICJAKSA-N 1 2 329.469 3.548 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccns3)nc(=O)c2c1C ZINC000860054903 1137042300 /nfs/dbraw/zinc/04/23/00/1137042300.db2.gz PFUIGBXLQHHVGL-RKDXNWHRSA-N 1 2 334.470 3.882 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000860116965 1137045187 /nfs/dbraw/zinc/04/51/87/1137045187.db2.gz RUXXCHDQWVWZNZ-YOEHRIQHSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCc2ccccc21 ZINC000860116965 1137045189 /nfs/dbraw/zinc/04/51/89/1137045189.db2.gz RUXXCHDQWVWZNZ-YOEHRIQHSA-N 1 2 343.471 3.892 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000860115150 1137045215 /nfs/dbraw/zinc/04/52/15/1137045215.db2.gz VDXSRIKZPHWANI-CJNGLKHVSA-N 1 2 333.863 3.598 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1ncc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000860115150 1137045217 /nfs/dbraw/zinc/04/52/17/1137045217.db2.gz VDXSRIKZPHWANI-CJNGLKHVSA-N 1 2 333.863 3.598 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000822037838 1137046204 /nfs/dbraw/zinc/04/62/04/1137046204.db2.gz MTXSVIJBZNBGMK-GGPKGHCWSA-N 1 2 337.467 3.961 20 0 EHADLO COc1cccc(C[C@H](C)CC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000822012904 1137047079 /nfs/dbraw/zinc/04/70/79/1137047079.db2.gz RSHJLVWXKGPDMU-AWEZNQCLSA-N 1 2 326.440 3.592 20 0 EHADLO COC(=O)C1C[C@@H](C)[NH+](Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000860189570 1137048448 /nfs/dbraw/zinc/04/84/48/1137048448.db2.gz VMLLRDIJUMHQCG-NXEZZACHSA-N 1 2 331.243 3.550 20 0 EHADLO CSCc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001136600418 1137065960 /nfs/dbraw/zinc/06/59/60/1137065960.db2.gz QPIICYZUEFNIRD-UHFFFAOYSA-N 1 2 337.448 3.917 20 0 EHADLO COC(=O)Nc1cccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1C ZINC000822640682 1137067842 /nfs/dbraw/zinc/06/78/42/1137067842.db2.gz GOWRERKOHNYYAT-INIZCTEOSA-N 1 2 344.415 3.596 20 0 EHADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sc1-c1ccccc1 ZINC000822655115 1137068422 /nfs/dbraw/zinc/06/84/22/1137068422.db2.gz WZLYDBWGMYOVQH-ZIAGYGMSSA-N 1 2 338.436 3.594 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860616561 1137069172 /nfs/dbraw/zinc/06/91/72/1137069172.db2.gz ULTQWYQXTQVLOG-CGTJXYLNSA-N 1 2 338.794 3.617 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CCCC(=O)C(C)(C)C)n1 ZINC000822702231 1137071085 /nfs/dbraw/zinc/07/10/85/1137071085.db2.gz SYNHETBILLXJTI-UHFFFAOYSA-N 1 2 339.505 3.709 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1Cc2cccc(Cl)c2C1 ZINC000822943186 1137080260 /nfs/dbraw/zinc/08/02/60/1137080260.db2.gz BVWILXZGOWYJGU-CYBMUJFWSA-N 1 2 343.736 3.572 20 0 EHADLO CSc1ccc(/C=C/C(=O)OCC2CN(c3cccc[nH+]3)C2)s1 ZINC000860842399 1137080738 /nfs/dbraw/zinc/08/07/38/1137080738.db2.gz NBPFCYOEWQPUBZ-FNORWQNLSA-N 1 2 346.477 3.558 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000823317138 1137093807 /nfs/dbraw/zinc/09/38/07/1137093807.db2.gz KQIBDXXDYGCAJR-JKIFEVAISA-N 1 2 339.430 3.630 20 0 EHADLO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662656 1137095692 /nfs/dbraw/zinc/09/56/92/1137095692.db2.gz ZPZJLAMXNXOEAU-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137662656 1137095694 /nfs/dbraw/zinc/09/56/94/1137095694.db2.gz ZPZJLAMXNXOEAU-HNNXBMFYSA-N 1 2 335.810 3.621 20 0 EHADLO O[C@@H](c1ccccc1)C1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823395028 1137097992 /nfs/dbraw/zinc/09/79/92/1137097992.db2.gz JCAJYUYSDXSZHX-KRWDZBQOSA-N 1 2 334.822 3.820 20 0 EHADLO C/C(=C\c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccc(F)cc1 ZINC000823398101 1137098218 /nfs/dbraw/zinc/09/82/18/1137098218.db2.gz YCYKZMWESXPSFD-MARXPDLDSA-N 1 2 347.390 3.501 20 0 EHADLO Clc1cnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)cn1 ZINC000823468565 1137101560 /nfs/dbraw/zinc/10/15/60/1137101560.db2.gz ICLGLIAHMCIURN-UHFFFAOYSA-N 1 2 348.903 3.845 20 0 EHADLO O=C(C[NH2+][C@@H]1CCc2c(Cl)cccc2C1)OCc1ccccc1 ZINC001171018563 1137101917 /nfs/dbraw/zinc/10/19/17/1137101917.db2.gz TWNURIFWYZJGLO-MRXNPFEDSA-N 1 2 329.827 3.530 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000861627099 1137115401 /nfs/dbraw/zinc/11/54/01/1137115401.db2.gz CLZUAAIXLHKKNR-KRWDZBQOSA-N 1 2 342.443 3.849 20 0 EHADLO CCCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C ZINC000861631285 1137115704 /nfs/dbraw/zinc/11/57/04/1137115704.db2.gz YXBJDWGBFQYOCR-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO Cc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000861655030 1137117322 /nfs/dbraw/zinc/11/73/22/1137117322.db2.gz BIJXXPRAUDQPLK-UHFFFAOYSA-N 1 2 340.496 3.785 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC001136828200 1137125924 /nfs/dbraw/zinc/12/59/24/1137125924.db2.gz SIMKXFXVHOEVCN-PKOBYXMFSA-N 1 2 343.446 3.701 20 0 EHADLO O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136834709 1137126606 /nfs/dbraw/zinc/12/66/06/1137126606.db2.gz ZHUQKZKOWOKEIN-LAUBAEHRSA-N 1 2 343.430 3.608 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC001136850790 1137131360 /nfs/dbraw/zinc/13/13/60/1137131360.db2.gz GGGDEOGFYPQJKO-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC001136850790 1137131362 /nfs/dbraw/zinc/13/13/62/1137131362.db2.gz GGGDEOGFYPQJKO-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO CN(C)c1c(F)c(F)ccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000862216542 1137132864 /nfs/dbraw/zinc/13/28/64/1137132864.db2.gz ZLHPTADZZNTIRS-UHFFFAOYSA-N 1 2 325.790 3.711 20 0 EHADLO CN(C)c1c(F)c(F)ccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000862216542 1137132865 /nfs/dbraw/zinc/13/28/65/1137132865.db2.gz ZLHPTADZZNTIRS-UHFFFAOYSA-N 1 2 325.790 3.711 20 0 EHADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccnc(F)c2C)cc1 ZINC000862233873 1137133962 /nfs/dbraw/zinc/13/39/62/1137133962.db2.gz WHFGLHYKONDBRU-HNNXBMFYSA-N 1 2 343.446 3.530 20 0 EHADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccnc(F)c2C)cc1 ZINC000862233873 1137133963 /nfs/dbraw/zinc/13/39/63/1137133963.db2.gz WHFGLHYKONDBRU-HNNXBMFYSA-N 1 2 343.446 3.530 20 0 EHADLO Cc1nc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)[nH]c1C ZINC000862243371 1137134452 /nfs/dbraw/zinc/13/44/52/1137134452.db2.gz ZKUWERCCDFHNSX-SFHVURJKSA-N 1 2 333.863 3.626 20 0 EHADLO Clc1ccc(CO[C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)c(Cl)c1 ZINC001136870176 1137135234 /nfs/dbraw/zinc/13/52/34/1137135234.db2.gz QEMYJQKHRFCZHC-CQSZACIVSA-N 1 2 326.227 3.508 20 0 EHADLO Clc1ccc(CO[C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c(Cl)c1 ZINC001136870176 1137135236 /nfs/dbraw/zinc/13/52/36/1137135236.db2.gz QEMYJQKHRFCZHC-CQSZACIVSA-N 1 2 326.227 3.508 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H](C)c1ccc(C(C)=O)cc1 ZINC001171053781 1137136120 /nfs/dbraw/zinc/13/61/20/1137136120.db2.gz MOXXORUEPIRBQJ-AWEZNQCLSA-N 1 2 340.423 3.953 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000824521799 1137141046 /nfs/dbraw/zinc/14/10/46/1137141046.db2.gz OSRDAMVKNDBTFD-KRWDZBQOSA-N 1 2 341.846 3.574 20 0 EHADLO COc1cccc(C[NH2+]Cc2cc(F)cnc2Cl)c1OC(C)C ZINC000824538610 1137143842 /nfs/dbraw/zinc/14/38/42/1137143842.db2.gz QONHPUYRMFFMHK-UHFFFAOYSA-N 1 2 338.810 3.960 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000862441476 1137144726 /nfs/dbraw/zinc/14/47/26/1137144726.db2.gz RPUDVOFXMRSAAN-AWEZNQCLSA-N 1 2 341.361 3.632 20 0 EHADLO O=C1CC2(CC[NH+](Cc3ccc(Cl)cn3)CC2)c2cc(F)ccc21 ZINC001136925876 1137149531 /nfs/dbraw/zinc/14/95/31/1137149531.db2.gz WEOZTTNIVPPZQO-UHFFFAOYSA-N 1 2 344.817 3.994 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cc(C2CCCC2)[nH]n1)c1ccc(Cl)cc1 ZINC001136941135 1137154241 /nfs/dbraw/zinc/15/42/41/1137154241.db2.gz HRYNRMKCXUEQRO-QGZVFWFLSA-N 1 2 346.862 3.962 20 0 EHADLO Cc1cccn2c(CN3CCn4c(-c5ccccc5)cnc4C3)c[nH+]c12 ZINC001136966069 1137158668 /nfs/dbraw/zinc/15/86/68/1137158668.db2.gz LXACXCNUDTYAHN-UHFFFAOYSA-N 1 2 343.434 3.522 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979488 1137162380 /nfs/dbraw/zinc/16/23/80/1137162380.db2.gz KRVZJQQBNHGEPL-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979488 1137162381 /nfs/dbraw/zinc/16/23/81/1137162381.db2.gz KRVZJQQBNHGEPL-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)co1 ZINC000825050420 1137163243 /nfs/dbraw/zinc/16/32/43/1137163243.db2.gz MJEONCMCPDDSDM-UHFFFAOYSA-N 1 2 330.819 3.674 20 0 EHADLO COc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1C ZINC001137010326 1137171101 /nfs/dbraw/zinc/17/11/01/1137171101.db2.gz NOOJWGJAVOUVPA-HOTGVXAUSA-N 1 2 343.858 3.515 20 0 EHADLO COc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1C ZINC001137010326 1137171102 /nfs/dbraw/zinc/17/11/02/1137171102.db2.gz NOOJWGJAVOUVPA-HOTGVXAUSA-N 1 2 343.858 3.515 20 0 EHADLO CC(C)(C)c1ccc(CSCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000825512963 1137180550 /nfs/dbraw/zinc/18/05/50/1137180550.db2.gz MRRQAZLTAZJPBB-MRXNPFEDSA-N 1 2 343.496 3.675 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CCCC3(CC3)CC2)c(=S)n1C ZINC000863331517 1137181334 /nfs/dbraw/zinc/18/13/34/1137181334.db2.gz NTADZOXJVBWACZ-UHFFFAOYSA-N 1 2 332.473 3.743 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CCCC3(CC3)CC2)c(=S)n1C ZINC000863331517 1137181335 /nfs/dbraw/zinc/18/13/35/1137181335.db2.gz NTADZOXJVBWACZ-UHFFFAOYSA-N 1 2 332.473 3.743 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341183 1137181693 /nfs/dbraw/zinc/18/16/93/1137181693.db2.gz WDCPGTUNDOTWNL-HSWBROFVSA-N 1 2 330.457 3.903 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)oc2=S)C1 ZINC000863341183 1137181694 /nfs/dbraw/zinc/18/16/94/1137181694.db2.gz WDCPGTUNDOTWNL-HSWBROFVSA-N 1 2 330.457 3.903 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1Cl ZINC001143362602 1137182615 /nfs/dbraw/zinc/18/26/15/1137182615.db2.gz GPWBGGYLQHBRMT-KBPBESRZSA-N 1 2 345.801 3.900 20 0 EHADLO COc1ccc(F)c(C[N@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1Cl ZINC001143362602 1137182616 /nfs/dbraw/zinc/18/26/16/1137182616.db2.gz GPWBGGYLQHBRMT-KBPBESRZSA-N 1 2 345.801 3.900 20 0 EHADLO CC[C@H]1[N@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@]12CCC(=O)N2 ZINC001143621913 1137183521 /nfs/dbraw/zinc/18/35/21/1137183521.db2.gz BAJODPXLZVXWHS-DYVFJYSZSA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@H]1[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@]12CCC(=O)N2 ZINC001143621913 1137183522 /nfs/dbraw/zinc/18/35/22/1137183522.db2.gz BAJODPXLZVXWHS-DYVFJYSZSA-N 1 2 342.817 3.641 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143626485 1137185916 /nfs/dbraw/zinc/18/59/16/1137185916.db2.gz WYBQJYXYIMXUHB-LLVKDONJSA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143626485 1137185918 /nfs/dbraw/zinc/18/59/18/1137185918.db2.gz WYBQJYXYIMXUHB-LLVKDONJSA-N 1 2 331.790 3.782 20 0 EHADLO Cc1cnc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1Br ZINC001143647167 1137186324 /nfs/dbraw/zinc/18/63/24/1137186324.db2.gz CFVHUFVWGIGQIY-LBPRGKRZSA-N 1 2 337.183 3.722 20 0 EHADLO Cc1cnc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1Br ZINC001143647167 1137186326 /nfs/dbraw/zinc/18/63/26/1137186326.db2.gz CFVHUFVWGIGQIY-LBPRGKRZSA-N 1 2 337.183 3.722 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000119460757 1137186836 /nfs/dbraw/zinc/18/68/36/1137186836.db2.gz AIDMGACAHBWREI-CYBMUJFWSA-N 1 2 329.473 3.500 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000119460757 1137186837 /nfs/dbraw/zinc/18/68/37/1137186837.db2.gz AIDMGACAHBWREI-CYBMUJFWSA-N 1 2 329.473 3.500 20 0 EHADLO OC[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)Cc1ccc(F)cc1 ZINC000339058743 1137191763 /nfs/dbraw/zinc/19/17/63/1137191763.db2.gz WLWIVLPURZWTLD-LBPRGKRZSA-N 1 2 328.309 3.503 20 0 EHADLO c1cn(Cc2cccc(-c3ccc(NC[C@@H]4CCCO4)nc3)c2)c[nH+]1 ZINC000863689814 1137199418 /nfs/dbraw/zinc/19/94/18/1137199418.db2.gz GFSYNYAUQDDDRG-IBGZPJMESA-N 1 2 334.423 3.584 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143946945 1137217148 /nfs/dbraw/zinc/21/71/48/1137217148.db2.gz HAJSYIABBFWLFP-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143946945 1137217149 /nfs/dbraw/zinc/21/71/49/1137217149.db2.gz HAJSYIABBFWLFP-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCOc1ccc(F)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1F ZINC001143946680 1137217271 /nfs/dbraw/zinc/21/72/71/1137217271.db2.gz UNSVDWJLLQGWTC-CQSZACIVSA-N 1 2 333.378 3.799 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1F ZINC001143946680 1137217272 /nfs/dbraw/zinc/21/72/72/1137217272.db2.gz UNSVDWJLLQGWTC-CQSZACIVSA-N 1 2 333.378 3.799 20 0 EHADLO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)n1 ZINC001143934726 1137218251 /nfs/dbraw/zinc/21/82/51/1137218251.db2.gz ZBMVSXJDHUQJRR-INIZCTEOSA-N 1 2 337.427 3.584 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)o1 ZINC001143958501 1137218845 /nfs/dbraw/zinc/21/88/45/1137218845.db2.gz FLZPUWVINHXGTG-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)o1 ZINC001143958501 1137218846 /nfs/dbraw/zinc/21/88/46/1137218846.db2.gz FLZPUWVINHXGTG-SNVBAGLBSA-N 1 2 327.762 3.689 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+]3CC[C@@H](C(C)C)C3)c2=S)cc1 ZINC000794630317 1137221832 /nfs/dbraw/zinc/22/18/32/1137221832.db2.gz FWYNMEWKFVCLLV-OAHLLOKOSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+]3CC[C@@H](C(C)C)C3)c2=S)cc1 ZINC000794630317 1137221835 /nfs/dbraw/zinc/22/18/35/1137221835.db2.gz FWYNMEWKFVCLLV-OAHLLOKOSA-N 1 2 346.500 3.656 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1cnc(C)cn1 ZINC000844444094 1137224294 /nfs/dbraw/zinc/22/42/94/1137224294.db2.gz PSSGJBXTSOPATI-INIZCTEOSA-N 1 2 331.847 3.956 20 0 EHADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1cnc(C)cn1 ZINC000844444094 1137224295 /nfs/dbraw/zinc/22/42/95/1137224295.db2.gz PSSGJBXTSOPATI-INIZCTEOSA-N 1 2 331.847 3.956 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 ZINC000794659549 1137224719 /nfs/dbraw/zinc/22/47/19/1137224719.db2.gz UAXSQJYVLDOTKO-BEVDRBHNSA-N 1 2 349.434 3.616 20 0 EHADLO Cc1ccc([C@@H]2CC[N@H+](Cn3nc(C)c4ccccc4c3=O)C2)c(C)c1 ZINC000794657888 1137224755 /nfs/dbraw/zinc/22/47/55/1137224755.db2.gz WDAZSCBQTBYUGE-GOSISDBHSA-N 1 2 347.462 3.769 20 0 EHADLO Cc1ccc([C@@H]2CC[N@@H+](Cn3nc(C)c4ccccc4c3=O)C2)c(C)c1 ZINC000794657888 1137224757 /nfs/dbraw/zinc/22/47/57/1137224757.db2.gz WDAZSCBQTBYUGE-GOSISDBHSA-N 1 2 347.462 3.769 20 0 EHADLO CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143991300 1137226103 /nfs/dbraw/zinc/22/61/03/1137226103.db2.gz JENNPSDBFXOPGI-UHFFFAOYSA-N 1 2 348.796 3.849 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844467399 1137226315 /nfs/dbraw/zinc/22/63/15/1137226315.db2.gz DXWWULQMBQNZOU-LLVKDONJSA-N 1 2 326.696 3.985 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844467399 1137226317 /nfs/dbraw/zinc/22/63/17/1137226317.db2.gz DXWWULQMBQNZOU-LLVKDONJSA-N 1 2 326.696 3.985 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC001144018983 1137229255 /nfs/dbraw/zinc/22/92/55/1137229255.db2.gz SZADQMUPVRVGRT-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1([C@H]2CCCCO2)CCC1 ZINC000864728425 1137243318 /nfs/dbraw/zinc/24/33/18/1137243318.db2.gz KMRCRVOLJJOZCB-QGZVFWFLSA-N 1 2 325.412 3.550 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3cc(Cl)c(F)cc3F)CC2)c1 ZINC001144130979 1137244422 /nfs/dbraw/zinc/24/44/22/1137244422.db2.gz SIOIZDBUOLJKMX-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)C1 ZINC000844747533 1137249407 /nfs/dbraw/zinc/24/94/07/1137249407.db2.gz LOZDTBOWZFCTQL-MLGOLLRUSA-N 1 2 342.455 3.503 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@]3(CC3(F)F)C2)C1 ZINC000844747533 1137249408 /nfs/dbraw/zinc/24/94/08/1137249408.db2.gz LOZDTBOWZFCTQL-MLGOLLRUSA-N 1 2 342.455 3.503 20 0 EHADLO Cc1cc(Br)cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001144221887 1137254925 /nfs/dbraw/zinc/25/49/25/1137254925.db2.gz KGLVHWSVWHIDRT-CYBMUJFWSA-N 1 2 330.266 3.787 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864962962 1137255344 /nfs/dbraw/zinc/25/53/44/1137255344.db2.gz ZOFYOQXQSCEJFH-TWGQIWQCSA-N 1 2 330.472 3.760 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158374 1137265801 /nfs/dbraw/zinc/26/58/01/1137265801.db2.gz JMLXLVJPSWFDMA-MVGZEHJDSA-N 1 2 349.356 3.779 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158741 1137265911 /nfs/dbraw/zinc/26/59/11/1137265911.db2.gz MNVDRPQTUVDCSV-GFCCVEGCSA-N 1 2 346.843 3.624 20 0 EHADLO CC(C)COCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000865341399 1137276417 /nfs/dbraw/zinc/27/64/17/1137276417.db2.gz GYDSNZOXCPUTQD-UHFFFAOYSA-N 1 2 346.500 3.585 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1Br ZINC000794836119 1137276613 /nfs/dbraw/zinc/27/66/13/1137276613.db2.gz NGXSBYXEQGNIJK-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375916 1137278585 /nfs/dbraw/zinc/27/85/85/1137278585.db2.gz QPXQQTRBSQHWQT-LBPRGKRZSA-N 1 2 335.398 3.678 20 0 EHADLO Cc1ccc(-c2nc(COC(=O)C[C@H](C)n3cc[nH+]c3)co2)cc1 ZINC000845277073 1137283142 /nfs/dbraw/zinc/28/31/42/1137283142.db2.gz LCBCPYSMCXUVPD-AWEZNQCLSA-N 1 2 325.368 3.541 20 0 EHADLO C[C@@H](CC(=O)OCC(=O)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000845283608 1137283621 /nfs/dbraw/zinc/28/36/21/1137283621.db2.gz FDFQUXDQYGPTGK-JTQLQIEISA-N 1 2 341.194 3.567 20 0 EHADLO C[C@H](CC(=O)OCc1cc(F)c(C(F)(F)F)cc1F)n1cc[nH+]c1 ZINC000845287039 1137283695 /nfs/dbraw/zinc/28/36/95/1137283695.db2.gz ZKZGXLNUFIJKRD-SECBINFHSA-N 1 2 348.271 3.875 20 0 EHADLO COc1cc2c(cc(Cl)nc2N[C@H](C)Cn2cc[nH+]c2)cc1F ZINC000865440331 1137283939 /nfs/dbraw/zinc/28/39/39/1137283939.db2.gz FIXNVCUKGVDJQO-SNVBAGLBSA-N 1 2 334.782 3.733 20 0 EHADLO COC[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc(C(F)(F)F)c1 ZINC000865468930 1137286757 /nfs/dbraw/zinc/28/67/57/1137286757.db2.gz MUOHBFQKSSXPEP-INIZCTEOSA-N 1 2 339.361 3.714 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2c(Cl)cncc2Cl)c1 ZINC000865515547 1137290669 /nfs/dbraw/zinc/29/06/69/1137290669.db2.gz QYFALBFZTHQHDF-UHFFFAOYSA-N 1 2 344.267 3.621 20 0 EHADLO C[C@@H](CC(=O)OCCc1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000845462487 1137293741 /nfs/dbraw/zinc/29/37/41/1137293741.db2.gz VWWYRWNTSMMQQB-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO Cc1[nH+]c(N[C@@H]2CCc3cccnc3CC2)ccc1-c1cnn(C)c1 ZINC000865581338 1137296583 /nfs/dbraw/zinc/29/65/83/1137296583.db2.gz MRCIAYJHZLZLJC-QGZVFWFLSA-N 1 2 333.439 3.545 20 0 EHADLO COCc1ccccc1/C=C(/C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845578956 1137299698 /nfs/dbraw/zinc/29/96/98/1137299698.db2.gz NHHOEQXPCZHVPG-IZNAZMGOSA-N 1 2 328.412 3.627 20 0 EHADLO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001144494824 1137300978 /nfs/dbraw/zinc/30/09/78/1137300978.db2.gz FWLZPWFDDSWRPB-INIZCTEOSA-N 1 2 344.833 3.654 20 0 EHADLO C[C@@H](CC(=O)OC1CCN(c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000845604571 1137302189 /nfs/dbraw/zinc/30/21/89/1137302189.db2.gz BTDGYXCZMFIEMP-AWEZNQCLSA-N 1 2 347.846 3.700 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001144538083 1137306662 /nfs/dbraw/zinc/30/66/62/1137306662.db2.gz GCGCPQRQXSXRNQ-KRWDZBQOSA-N 1 2 347.384 3.515 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001144538083 1137306664 /nfs/dbraw/zinc/30/66/64/1137306664.db2.gz GCGCPQRQXSXRNQ-KRWDZBQOSA-N 1 2 347.384 3.515 20 0 EHADLO COc1cc(F)c(CNc2ccc3c(c2)CCC[N@H+]3C)cc1OC ZINC000845950779 1137319866 /nfs/dbraw/zinc/31/98/66/1137319866.db2.gz DFNWKKPSNBJDFW-UHFFFAOYSA-N 1 2 330.403 3.837 20 0 EHADLO COc1cc(F)c(CNc2ccc3c(c2)CCC[N@@H+]3C)cc1OC ZINC000845950779 1137319867 /nfs/dbraw/zinc/31/98/67/1137319867.db2.gz DFNWKKPSNBJDFW-UHFFFAOYSA-N 1 2 330.403 3.837 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1cc2cnccc2o1 ZINC000845952000 1137320133 /nfs/dbraw/zinc/32/01/33/1137320133.db2.gz KIWQPLOIKUYBFA-KGLIPLIRSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1cc2cnccc2o1 ZINC000845952000 1137320135 /nfs/dbraw/zinc/32/01/35/1137320135.db2.gz KIWQPLOIKUYBFA-KGLIPLIRSA-N 1 2 345.443 3.658 20 0 EHADLO CSc1cccnc1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000846060953 1137328694 /nfs/dbraw/zinc/32/86/94/1137328694.db2.gz DBPGEEDRTHMPBU-UHFFFAOYSA-N 1 2 342.512 3.950 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(c1cccc[nH+]1)C2 ZINC000866114324 1137329760 /nfs/dbraw/zinc/32/97/60/1137329760.db2.gz HDSRNWKKKWDKAV-UHFFFAOYSA-N 1 2 341.411 3.828 20 0 EHADLO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000866230856 1137336927 /nfs/dbraw/zinc/33/69/27/1137336927.db2.gz FUYDRWSAKQDAHO-HNAYVOBHSA-N 1 2 331.387 3.655 20 0 EHADLO ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000846212448 1137343678 /nfs/dbraw/zinc/34/36/78/1137343678.db2.gz DTIRGEYEDYHKON-ONGXEEELSA-N 1 2 331.272 3.519 20 0 EHADLO CCCN(CCC)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000846481783 1137353477 /nfs/dbraw/zinc/35/34/77/1137353477.db2.gz NGKXZPYLGYVOIE-MRXNPFEDSA-N 1 2 340.471 3.711 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCSc3c(F)cccc32)n1 ZINC000866564060 1137364947 /nfs/dbraw/zinc/36/49/47/1137364947.db2.gz VEDKGOQZKLALCE-LBPRGKRZSA-N 1 2 327.375 3.824 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cnsn1 ZINC000846854851 1137372137 /nfs/dbraw/zinc/37/21/37/1137372137.db2.gz MYRXMEJTNXAZFQ-SECBINFHSA-N 1 2 334.445 3.960 20 0 EHADLO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1cnsn1 ZINC000846917954 1137375542 /nfs/dbraw/zinc/37/55/42/1137375542.db2.gz GILNLSDPVJUBRE-CYBMUJFWSA-N 1 2 338.274 3.714 20 0 EHADLO Cc1cc2c(CC(=O)N(C)CCCn3cc[nH+]c3)csc2s1 ZINC000866743817 1137375692 /nfs/dbraw/zinc/37/56/92/1137375692.db2.gz CBTQLMSKQYTVCH-UHFFFAOYSA-N 1 2 333.482 3.559 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(F)c2ccccc12 ZINC000866745485 1137375991 /nfs/dbraw/zinc/37/59/91/1137375991.db2.gz XPDRMLIHTRPXKP-UHFFFAOYSA-N 1 2 339.414 3.657 20 0 EHADLO CCOC(C[N@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1)OCC ZINC000846968966 1137377705 /nfs/dbraw/zinc/37/77/05/1137377705.db2.gz LEKHKMLRGFLQJF-AWEZNQCLSA-N 1 2 333.432 3.519 20 0 EHADLO CCOC(C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1)OCC ZINC000846968966 1137377706 /nfs/dbraw/zinc/37/77/06/1137377706.db2.gz LEKHKMLRGFLQJF-AWEZNQCLSA-N 1 2 333.432 3.519 20 0 EHADLO CC(=O)C1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000846954836 1137378802 /nfs/dbraw/zinc/37/88/02/1137378802.db2.gz XCXSEWALAXLIMH-UHFFFAOYSA-N 1 2 345.874 3.694 20 0 EHADLO CCCCC[C@@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000847007835 1137382376 /nfs/dbraw/zinc/38/23/76/1137382376.db2.gz JTKMYLZFALVTGW-GOSISDBHSA-N 1 2 341.455 3.766 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](CC)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000121795467 1137385207 /nfs/dbraw/zinc/38/52/07/1137385207.db2.gz FDSPXKBIHYQPMM-MSOLQXFVSA-N 1 2 345.487 3.623 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000121795467 1137385209 /nfs/dbraw/zinc/38/52/09/1137385209.db2.gz FDSPXKBIHYQPMM-MSOLQXFVSA-N 1 2 345.487 3.623 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccc(C(F)F)cc2)C1 ZINC000867844102 1137387876 /nfs/dbraw/zinc/38/78/76/1137387876.db2.gz QWQLUYSHSKZVDT-MRXNPFEDSA-N 1 2 347.409 3.697 20 0 EHADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292046 1137388415 /nfs/dbraw/zinc/38/84/15/1137388415.db2.gz UUISEPQJUGFVMR-LSDHHAIUSA-N 1 2 338.854 3.606 20 0 EHADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001146292046 1137388416 /nfs/dbraw/zinc/38/84/16/1137388416.db2.gz UUISEPQJUGFVMR-LSDHHAIUSA-N 1 2 338.854 3.606 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC(C)(C)[C@@H]2c2ccco2)c1C ZINC000868182253 1137400892 /nfs/dbraw/zinc/40/08/92/1137400892.db2.gz QGJNFVRLZFOBJW-KRWDZBQOSA-N 1 2 343.427 3.593 20 0 EHADLO CC(C)(C)c1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001147805560 1137412431 /nfs/dbraw/zinc/41/24/31/1137412431.db2.gz URTLQTJHTCSEIX-UHFFFAOYSA-N 1 2 334.423 3.876 20 0 EHADLO O=C(c1cccc2c1CCCC2)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148634372 1137430326 /nfs/dbraw/zinc/43/03/26/1137430326.db2.gz RYFLLTSBOUWVKT-GOSISDBHSA-N 1 2 348.437 3.511 20 0 EHADLO Cc1c(F)c(F)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001148722541 1137432106 /nfs/dbraw/zinc/43/21/06/1137432106.db2.gz CIFVGAVDOBBVKI-UHFFFAOYSA-N 1 2 331.297 3.850 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001148904259 1137437446 /nfs/dbraw/zinc/43/74/46/1137437446.db2.gz JVAIEXSUOAPMOX-CQSZACIVSA-N 1 2 331.419 3.817 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001148904259 1137437447 /nfs/dbraw/zinc/43/74/47/1137437447.db2.gz JVAIEXSUOAPMOX-CQSZACIVSA-N 1 2 331.419 3.817 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]CCOC(c2ccccc2)c2ccccc2)n1 ZINC000348096963 1137439996 /nfs/dbraw/zinc/43/99/96/1137439996.db2.gz NUBJEXAAAMFKDC-OAHLLOKOSA-N 1 2 337.423 3.835 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2csc(C)n2)cs1 ZINC000348166507 1137446201 /nfs/dbraw/zinc/44/62/01/1137446201.db2.gz ORTFUJOVLBDIAL-NSHDSACASA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2csc(C)n2)cs1 ZINC000348166507 1137446202 /nfs/dbraw/zinc/44/62/02/1137446202.db2.gz ORTFUJOVLBDIAL-NSHDSACASA-N 1 2 325.503 3.680 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714952822 1137475081 /nfs/dbraw/zinc/47/50/81/1137475081.db2.gz WHKNTHHFYICGSS-UHFFFAOYSA-N 1 2 341.274 3.983 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076104 1137451005 /nfs/dbraw/zinc/45/10/05/1137451005.db2.gz SBGYUWQNHMVFOZ-BLLLJJGKSA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076104 1137451007 /nfs/dbraw/zinc/45/10/07/1137451007.db2.gz SBGYUWQNHMVFOZ-BLLLJJGKSA-N 1 2 329.362 3.836 20 0 EHADLO CN(C)c1cc(COC(=O)CCc2ccc(C(F)F)cc2)cc[nH+]1 ZINC000869668693 1137461712 /nfs/dbraw/zinc/46/17/12/1137461712.db2.gz DRNHWDDYYGILPE-UHFFFAOYSA-N 1 2 334.366 3.761 20 0 EHADLO CCOc1ccc(N(CC2CC2)C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000869719644 1137463849 /nfs/dbraw/zinc/46/38/49/1137463849.db2.gz VPYTUYLISLILMI-UHFFFAOYSA-N 1 2 335.407 3.790 20 0 EHADLO ClC(Cl)(Cl)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247552067 1137465694 /nfs/dbraw/zinc/46/56/94/1137465694.db2.gz AABJNJMUQYCRBW-UHFFFAOYSA-N 1 2 329.574 3.749 20 0 EHADLO C[C@H](CC(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1)n1cc[nH+]c1 ZINC000870014355 1137475174 /nfs/dbraw/zinc/47/51/74/1137475174.db2.gz HZPKKFNEXJUAOJ-LLVKDONJSA-N 1 2 346.818 3.680 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773260706 1137482424 /nfs/dbraw/zinc/48/24/24/1137482424.db2.gz PKAVTINNSBCBIX-UHFFFAOYSA-N 1 2 345.874 3.574 20 0 EHADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773260706 1137482426 /nfs/dbraw/zinc/48/24/26/1137482426.db2.gz PKAVTINNSBCBIX-UHFFFAOYSA-N 1 2 345.874 3.574 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000123091134 1137490745 /nfs/dbraw/zinc/49/07/45/1137490745.db2.gz WTFIVALQSAZFRZ-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471811 1137492815 /nfs/dbraw/zinc/49/28/15/1137492815.db2.gz VSGSOCYNIYYUAI-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@@H]1C1CCC1)c1ccc(Cl)cc1Cl ZINC001171471811 1137492817 /nfs/dbraw/zinc/49/28/17/1137492817.db2.gz VSGSOCYNIYYUAI-HZPDHXFCSA-N 1 2 330.255 3.528 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 ZINC000870738268 1137508163 /nfs/dbraw/zinc/50/81/63/1137508163.db2.gz WOOQAXXDXQUVHE-UHFFFAOYSA-N 1 2 344.415 3.555 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC001171778466 1137510314 /nfs/dbraw/zinc/51/03/14/1137510314.db2.gz LOZMVFMBXJHIBV-CABCVRRESA-N 1 2 345.439 3.999 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC001171778466 1137510315 /nfs/dbraw/zinc/51/03/15/1137510315.db2.gz LOZMVFMBXJHIBV-CABCVRRESA-N 1 2 345.439 3.999 20 0 EHADLO CCOC(=O)[C@H](C)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001171893627 1137517194 /nfs/dbraw/zinc/51/71/94/1137517194.db2.gz RCKYDZBOFHIJJN-ZDUSSCGKSA-N 1 2 338.517 3.647 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000871274072 1137531085 /nfs/dbraw/zinc/53/10/85/1137531085.db2.gz MZJULRLTQGFULL-INIZCTEOSA-N 1 2 349.356 3.761 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000871274072 1137531087 /nfs/dbraw/zinc/53/10/87/1137531087.db2.gz MZJULRLTQGFULL-INIZCTEOSA-N 1 2 349.356 3.761 20 0 EHADLO CC(C)(C)OC(=O)[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224056 1137542203 /nfs/dbraw/zinc/54/22/03/1137542203.db2.gz KYYREBZKNMPQLU-IPQPSQTFSA-N 1 2 345.483 3.629 20 0 EHADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001172324304 1137547423 /nfs/dbraw/zinc/54/74/23/1137547423.db2.gz GHUUOBCHRSJOHK-KKUMJFAQSA-N 1 2 333.538 3.633 20 0 EHADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872057416 1137568519 /nfs/dbraw/zinc/56/85/19/1137568519.db2.gz YEIDNWJWARWWEX-QFBILLFUSA-N 1 2 332.488 3.837 20 0 EHADLO Cc1cc([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)ccc1N1CCOCC1 ZINC000872061619 1137568991 /nfs/dbraw/zinc/56/89/91/1137568991.db2.gz ZZJLZEVUDDSMMQ-HKUYNNGSSA-N 1 2 332.488 3.837 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nonc2C)ccc1SC(F)F ZINC000872134970 1137573599 /nfs/dbraw/zinc/57/35/99/1137573599.db2.gz ATUQHPDPMZBXDJ-MRVPVSSYSA-N 1 2 329.372 3.552 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000872137087 1137573704 /nfs/dbraw/zinc/57/37/04/1137573704.db2.gz QKWVRVBJMFRDLT-JTQLQIEISA-N 1 2 332.404 3.800 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000872137931 1137573765 /nfs/dbraw/zinc/57/37/65/1137573765.db2.gz XWYCGCYPXCWOOM-CYBMUJFWSA-N 1 2 344.415 3.808 20 0 EHADLO [NH3+][C@@H](c1nc([C@H]2CCCS2)no1)c1cccc(C(F)(F)F)c1 ZINC000872175027 1137575170 /nfs/dbraw/zinc/57/51/70/1137575170.db2.gz IRRBNUJTCVYAEW-GHMZBOCLSA-N 1 2 329.347 3.705 20 0 EHADLO CC(C)c1cc(N2CCO[C@H](C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000872749572 1137583666 /nfs/dbraw/zinc/58/36/66/1137583666.db2.gz JJQOCUVDOFKIHW-ZDUSSCGKSA-N 1 2 331.382 3.881 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)c(=S)n1C1CC1 ZINC000872803212 1137584596 /nfs/dbraw/zinc/58/45/96/1137584596.db2.gz NNQBLMGCTBSDCO-LJQANCHMSA-N 1 2 340.496 3.605 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)c(=S)n1C1CC1 ZINC000872803212 1137584597 /nfs/dbraw/zinc/58/45/97/1137584597.db2.gz NNQBLMGCTBSDCO-LJQANCHMSA-N 1 2 340.496 3.605 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CN2C(=O)C[C@H]2c2ccccc2)c1 ZINC000124386027 1137589705 /nfs/dbraw/zinc/58/97/05/1137589705.db2.gz HDRKFMKHFWJNEM-FQEVSTJZSA-N 1 2 338.451 3.837 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CN2C(=O)C[C@H]2c2ccccc2)c1 ZINC000124386027 1137589706 /nfs/dbraw/zinc/58/97/06/1137589706.db2.gz HDRKFMKHFWJNEM-FQEVSTJZSA-N 1 2 338.451 3.837 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001137068153 1137591189 /nfs/dbraw/zinc/59/11/89/1137591189.db2.gz YAFIMPWKNVQKNQ-UHFFFAOYSA-N 1 2 348.450 3.624 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001137068153 1137591190 /nfs/dbraw/zinc/59/11/90/1137591190.db2.gz YAFIMPWKNVQKNQ-UHFFFAOYSA-N 1 2 348.450 3.624 20 0 EHADLO CC1(C)CCc2onc(C[NH2+]Cc3cc4ccccc4[nH]c3=O)c2C1 ZINC000873175880 1137592598 /nfs/dbraw/zinc/59/25/98/1137592598.db2.gz VODCLDYYXMEXON-UHFFFAOYSA-N 1 2 337.423 3.733 20 0 EHADLO CC[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1OC ZINC000873989364 1137608852 /nfs/dbraw/zinc/60/88/52/1137608852.db2.gz BVNBNGJZWQTDLE-SJORKVTESA-N 1 2 329.444 3.746 20 0 EHADLO CCNC(=O)OC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001137866014 1137609422 /nfs/dbraw/zinc/60/94/22/1137609422.db2.gz VGPZDDUJAYUPCK-UHFFFAOYSA-N 1 2 348.340 3.555 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000874155056 1137611158 /nfs/dbraw/zinc/61/11/58/1137611158.db2.gz VZHOPIDGNNZCNH-JQWIXIFHSA-N 1 2 331.363 3.624 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893266 1137625783 /nfs/dbraw/zinc/62/57/83/1137625783.db2.gz PYAYIECUGLVBSB-SNDJDQCESA-N 1 2 342.389 3.541 20 0 EHADLO c1cncc(C[NH+](Cc2cccnc2)Cc2ccc3nccnc3c2)c1 ZINC001137087957 1137632216 /nfs/dbraw/zinc/63/22/16/1137632216.db2.gz LPDGROLSVYYCMW-UHFFFAOYSA-N 1 2 341.418 3.622 20 0 EHADLO O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000875902519 1137640444 /nfs/dbraw/zinc/64/04/44/1137640444.db2.gz CNYMFRPVKYEWHZ-XJKSGUPXSA-N 1 2 344.846 3.640 20 0 EHADLO COc1cc2c(c(C[N@H+](C)Cc3ccc(Cl)nc3)c1)O[C@@H](C)C2 ZINC000125704912 1137641715 /nfs/dbraw/zinc/64/17/15/1137641715.db2.gz FCEWFWOWSJUCQL-LBPRGKRZSA-N 1 2 332.831 3.699 20 0 EHADLO COc1cc2c(c(C[N@@H+](C)Cc3ccc(Cl)nc3)c1)O[C@@H](C)C2 ZINC000125704912 1137641716 /nfs/dbraw/zinc/64/17/16/1137641716.db2.gz FCEWFWOWSJUCQL-LBPRGKRZSA-N 1 2 332.831 3.699 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000876212401 1137646192 /nfs/dbraw/zinc/64/61/92/1137646192.db2.gz KAHMBVUNGJTMAV-QGZVFWFLSA-N 1 2 345.830 3.657 20 0 EHADLO COc1ccc(Cl)c(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000876212401 1137646193 /nfs/dbraw/zinc/64/61/93/1137646193.db2.gz KAHMBVUNGJTMAV-QGZVFWFLSA-N 1 2 345.830 3.657 20 0 EHADLO COC(=O)[C@H](C)C[N@H+](Cc1nc(Cl)cs1)Cc1ccccc1 ZINC000876584602 1137656194 /nfs/dbraw/zinc/65/61/94/1137656194.db2.gz JZZMHPOFDKVNLW-GFCCVEGCSA-N 1 2 338.860 3.608 20 0 EHADLO COC(=O)[C@H](C)C[N@@H+](Cc1nc(Cl)cs1)Cc1ccccc1 ZINC000876584602 1137656195 /nfs/dbraw/zinc/65/61/95/1137656195.db2.gz JZZMHPOFDKVNLW-GFCCVEGCSA-N 1 2 338.860 3.608 20 0 EHADLO Clc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)nn1 ZINC000876585533 1137656310 /nfs/dbraw/zinc/65/63/10/1137656310.db2.gz NJFMGOYLBFOLNB-UHFFFAOYSA-N 1 2 338.238 3.827 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000876757068 1137660560 /nfs/dbraw/zinc/66/05/60/1137660560.db2.gz AZMGLABGCAPVEF-KPZWWZAWSA-N 1 2 342.370 3.635 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000876757068 1137660561 /nfs/dbraw/zinc/66/05/61/1137660561.db2.gz AZMGLABGCAPVEF-KPZWWZAWSA-N 1 2 342.370 3.635 20 0 EHADLO CCN(C[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1)CC(F)(F)F ZINC000876783013 1137661109 /nfs/dbraw/zinc/66/11/09/1137661109.db2.gz TUXHYZMEPHDIAN-SNVBAGLBSA-N 1 2 341.830 3.503 20 0 EHADLO CCN(C[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1)CC(F)(F)F ZINC000876783013 1137661110 /nfs/dbraw/zinc/66/11/10/1137661110.db2.gz TUXHYZMEPHDIAN-SNVBAGLBSA-N 1 2 341.830 3.503 20 0 EHADLO Cc1ccc2c(c1)OCCN2C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001137114064 1137666410 /nfs/dbraw/zinc/66/64/10/1137666410.db2.gz DQDMBTKQSJUVJX-QGZVFWFLSA-N 1 2 347.418 3.666 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000877507100 1137678974 /nfs/dbraw/zinc/67/89/74/1137678974.db2.gz KRLYXCPPSZNWNO-OLZOCXBDSA-N 1 2 345.668 3.641 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000877507100 1137678975 /nfs/dbraw/zinc/67/89/75/1137678975.db2.gz KRLYXCPPSZNWNO-OLZOCXBDSA-N 1 2 345.668 3.641 20 0 EHADLO C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@H]1CC(C)(C)OC1=O ZINC000877548702 1137680815 /nfs/dbraw/zinc/68/08/15/1137680815.db2.gz RRVMKWILHLXYRH-HNNXBMFYSA-N 1 2 348.443 3.560 20 0 EHADLO C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@H]1CC(C)(C)OC1=O ZINC000877548702 1137680816 /nfs/dbraw/zinc/68/08/16/1137680816.db2.gz RRVMKWILHLXYRH-HNNXBMFYSA-N 1 2 348.443 3.560 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(C2CC2)no1 ZINC000877573430 1137681655 /nfs/dbraw/zinc/68/16/55/1137681655.db2.gz QMKVHLKHSAYNKE-UHFFFAOYSA-N 1 2 344.415 3.584 20 0 EHADLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2ncccc12 ZINC000877572187 1137681716 /nfs/dbraw/zinc/68/17/16/1137681716.db2.gz BXSPUOVYEYUFHD-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1cccc2ncccc12 ZINC000877572187 1137681717 /nfs/dbraw/zinc/68/17/17/1137681717.db2.gz BXSPUOVYEYUFHD-UHFFFAOYSA-N 1 2 327.453 3.551 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000877698848 1137686296 /nfs/dbraw/zinc/68/62/96/1137686296.db2.gz OXHZBZYWXXRPCI-UHFFFAOYSA-N 1 2 328.412 3.797 20 0 EHADLO c1oc(-c2ccccc2)nc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877716225 1137686751 /nfs/dbraw/zinc/68/67/51/1137686751.db2.gz VPBSHZOBOIMKQO-LJQANCHMSA-N 1 2 346.434 3.721 20 0 EHADLO c1oc(-c2ccccc2)nc1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877716225 1137686752 /nfs/dbraw/zinc/68/67/52/1137686752.db2.gz VPBSHZOBOIMKQO-LJQANCHMSA-N 1 2 346.434 3.721 20 0 EHADLO COc1ccc([C@H]2C[N@H+](Cc3nc4ccccc4nc3C)CCO2)cc1 ZINC000877755095 1137688183 /nfs/dbraw/zinc/68/81/83/1137688183.db2.gz CCCKBXFNDSPEPI-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](Cc3nc4ccccc4nc3C)CCO2)cc1 ZINC000877755095 1137688184 /nfs/dbraw/zinc/68/81/84/1137688184.db2.gz CCCKBXFNDSPEPI-OAQYLSRUSA-N 1 2 349.434 3.520 20 0 EHADLO O=c1[nH]c2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2n1C1CC1 ZINC000877771147 1137689118 /nfs/dbraw/zinc/68/91/18/1137689118.db2.gz LXPLHETWXILICQ-UHFFFAOYSA-N 1 2 349.438 3.553 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2noc3c2CC(C)(C)CC3)c1 ZINC000877810707 1137690758 /nfs/dbraw/zinc/69/07/58/1137690758.db2.gz YVAAVKQVHRFAMY-ZDUSSCGKSA-N 1 2 341.455 3.999 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000877914932 1137695374 /nfs/dbraw/zinc/69/53/74/1137695374.db2.gz KKYVZUZJVYMSKA-INIZCTEOSA-N 1 2 339.370 3.918 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cccc2c1CCOC2 ZINC000877974192 1137697764 /nfs/dbraw/zinc/69/77/64/1137697764.db2.gz PQJFXLWEABSYOE-UHFFFAOYSA-N 1 2 333.435 3.577 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cccc2c1CCOC2 ZINC000877974192 1137697765 /nfs/dbraw/zinc/69/77/65/1137697765.db2.gz PQJFXLWEABSYOE-UHFFFAOYSA-N 1 2 333.435 3.577 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878044184 1137700483 /nfs/dbraw/zinc/70/04/83/1137700483.db2.gz NFQWEDGYCJSXBW-UHFFFAOYSA-N 1 2 348.487 3.743 20 0 EHADLO CC[N@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000878167618 1137705447 /nfs/dbraw/zinc/70/54/47/1137705447.db2.gz HIWPXPAYRPOHKJ-CYBMUJFWSA-N 1 2 339.395 3.731 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000878167618 1137705448 /nfs/dbraw/zinc/70/54/48/1137705448.db2.gz HIWPXPAYRPOHKJ-CYBMUJFWSA-N 1 2 339.395 3.731 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+](Cc1nocc1C)C(C)(C)C ZINC000878192823 1137706644 /nfs/dbraw/zinc/70/66/44/1137706644.db2.gz LYYBZVSJTQDPJJ-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1nocc1C)C(C)(C)C ZINC000878192823 1137706645 /nfs/dbraw/zinc/70/66/45/1137706645.db2.gz LYYBZVSJTQDPJJ-UHFFFAOYSA-N 1 2 348.443 3.810 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ncccc1Br ZINC000878321019 1137710949 /nfs/dbraw/zinc/71/09/49/1137710949.db2.gz SUKFXGVTKXVTOG-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ncccc1Br ZINC000878321019 1137710950 /nfs/dbraw/zinc/71/09/50/1137710950.db2.gz SUKFXGVTKXVTOG-CQSZACIVSA-N 1 2 335.249 3.521 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000878354995 1137712216 /nfs/dbraw/zinc/71/22/16/1137712216.db2.gz DOLKJSAXBGXLJZ-CQSZACIVSA-N 1 2 328.412 3.566 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@H]2CCC(C)(C)CO2)n1 ZINC000878378766 1137713553 /nfs/dbraw/zinc/71/35/53/1137713553.db2.gz MPEGNAVORTUCOF-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000878391095 1137713938 /nfs/dbraw/zinc/71/39/38/1137713938.db2.gz IMXUEYMUPJHKRW-STQMWFEESA-N 1 2 344.377 3.730 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000878391095 1137713939 /nfs/dbraw/zinc/71/39/39/1137713939.db2.gz IMXUEYMUPJHKRW-STQMWFEESA-N 1 2 344.377 3.730 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)cccc1Cl)c1ccco1 ZINC000878409426 1137714846 /nfs/dbraw/zinc/71/48/46/1137714846.db2.gz KNJAJULKXJULAF-OCCSQVGLSA-N 1 2 336.819 3.546 20 0 EHADLO Cc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)nc1Cl ZINC000878522874 1137718845 /nfs/dbraw/zinc/71/88/45/1137718845.db2.gz WJKWVMYHYSRYRU-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)c1C ZINC000878530438 1137719180 /nfs/dbraw/zinc/71/91/80/1137719180.db2.gz UWTJFRPZLGAWRM-LAUBAEHRSA-N 1 2 338.451 3.643 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nocc2C)CC2CCC2)c(OC)c1 ZINC000878562829 1137720331 /nfs/dbraw/zinc/72/03/31/1137720331.db2.gz GUEPLCOKBSRXIX-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO COc1ccc(C[N@H+](Cc2nocc2C)CC2CCC2)c(OC)c1 ZINC000878562829 1137720332 /nfs/dbraw/zinc/72/03/32/1137720332.db2.gz GUEPLCOKBSRXIX-UHFFFAOYSA-N 1 2 330.428 3.803 20 0 EHADLO Oc1cccc(-c2nnc(C[NH+]3CCC(CC(F)(F)F)CC3)o2)c1 ZINC000878572344 1137720807 /nfs/dbraw/zinc/72/08/07/1137720807.db2.gz BDHPDSDVBOJTCI-UHFFFAOYSA-N 1 2 341.333 3.607 20 0 EHADLO CC1(C)CC[C@H](C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615343 1137722494 /nfs/dbraw/zinc/72/24/94/1137722494.db2.gz CBWNZBBITLANMQ-OWCLPIDISA-N 1 2 349.475 3.653 20 0 EHADLO CC1(C)CC[C@H](C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615343 1137722495 /nfs/dbraw/zinc/72/24/95/1137722495.db2.gz CBWNZBBITLANMQ-OWCLPIDISA-N 1 2 349.475 3.653 20 0 EHADLO CC1(C)CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)CC[S@@]1=O ZINC000878682915 1137724959 /nfs/dbraw/zinc/72/49/59/1137724959.db2.gz QKXIYUGBABJGGE-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO CC1(C)CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)CC[S@@]1=O ZINC000878682915 1137724960 /nfs/dbraw/zinc/72/49/60/1137724960.db2.gz QKXIYUGBABJGGE-QFIPXVFZSA-N 1 2 336.888 3.621 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997383 1137734763 /nfs/dbraw/zinc/73/47/63/1137734763.db2.gz DLDBQVYMQILVOQ-ZACQAIPSSA-N 1 2 343.389 3.950 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC000878997383 1137734764 /nfs/dbraw/zinc/73/47/64/1137734764.db2.gz DLDBQVYMQILVOQ-ZACQAIPSSA-N 1 2 343.389 3.950 20 0 EHADLO C[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000879152787 1137739529 /nfs/dbraw/zinc/73/95/29/1137739529.db2.gz VYPHJCMXOKSPKX-KPFFTGBYSA-N 1 2 337.467 3.803 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H](CF)C1 ZINC000879381593 1137746170 /nfs/dbraw/zinc/74/61/70/1137746170.db2.gz GTLCHOJZFNLQEP-CQSZACIVSA-N 1 2 342.418 3.710 20 0 EHADLO Cc1cnc(Cl)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000879445272 1137747830 /nfs/dbraw/zinc/74/78/30/1137747830.db2.gz HLONWNAKIPDFLJ-UHFFFAOYSA-N 1 2 346.862 3.573 20 0 EHADLO CC(C)c1noc([C@H](C)[NH+]2CCC(c3nc(C4CCC4)no3)CC2)n1 ZINC000879550380 1137750412 /nfs/dbraw/zinc/75/04/12/1137750412.db2.gz AEUROQRPZPUNOT-LBPRGKRZSA-N 1 2 345.447 3.784 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558894 1137750943 /nfs/dbraw/zinc/75/09/43/1137750943.db2.gz LWSSIXNBUXXTJP-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558894 1137750944 /nfs/dbraw/zinc/75/09/44/1137750944.db2.gz LWSSIXNBUXXTJP-QWRGUYRKSA-N 1 2 345.295 3.617 20 0 EHADLO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1ncsc1Br ZINC000879673428 1137754754 /nfs/dbraw/zinc/75/47/54/1137754754.db2.gz SNOVLQJZLDRGMT-HTQZYQBOSA-N 1 2 341.196 3.892 20 0 EHADLO CCc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccnn3C)cs2)cc1 ZINC000879684059 1137755240 /nfs/dbraw/zinc/75/52/40/1137755240.db2.gz SAVCUDGAOLXLBY-ZDUSSCGKSA-N 1 2 326.469 3.957 20 0 EHADLO c1ccc2sc(C[N@H+]3Cc4cccnc4N4CCC[C@H]4C3)nc2c1 ZINC000879690161 1137755307 /nfs/dbraw/zinc/75/53/07/1137755307.db2.gz JEECJGCFVVUVQZ-HNNXBMFYSA-N 1 2 336.464 3.676 20 0 EHADLO c1ccc2sc(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)nc2c1 ZINC000879690161 1137755308 /nfs/dbraw/zinc/75/53/08/1137755308.db2.gz JEECJGCFVVUVQZ-HNNXBMFYSA-N 1 2 336.464 3.676 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000879749521 1137757824 /nfs/dbraw/zinc/75/78/24/1137757824.db2.gz YQVNVXJNNJUAQB-OAHLLOKOSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000879749521 1137757825 /nfs/dbraw/zinc/75/78/25/1137757825.db2.gz YQVNVXJNNJUAQB-OAHLLOKOSA-N 1 2 326.425 3.839 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ncsc1C1CC1 ZINC000879976590 1137763699 /nfs/dbraw/zinc/76/36/99/1137763699.db2.gz QFBBBQDENNSPJO-HDJSIYSDSA-N 1 2 342.468 3.569 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999877 1137764169 /nfs/dbraw/zinc/76/41/69/1137764169.db2.gz CGFIHEQTHDXXAI-LRDDRELGSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999877 1137764170 /nfs/dbraw/zinc/76/41/70/1137764170.db2.gz CGFIHEQTHDXXAI-LRDDRELGSA-N 1 2 339.361 3.996 20 0 EHADLO Cc1csc([C@H]2CC[N@H+](Cc3noc(-c4ccccc4C)n3)C2)n1 ZINC000880007823 1137764972 /nfs/dbraw/zinc/76/49/72/1137764972.db2.gz MNGLCRGTPTUFKF-AWEZNQCLSA-N 1 2 340.452 3.799 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+](Cc3noc(-c4ccccc4C)n3)C2)n1 ZINC000880007823 1137764973 /nfs/dbraw/zinc/76/49/73/1137764973.db2.gz MNGLCRGTPTUFKF-AWEZNQCLSA-N 1 2 340.452 3.799 20 0 EHADLO FC(F)Oc1ccccc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880267301 1137772415 /nfs/dbraw/zinc/77/24/15/1137772415.db2.gz CBLXPGOAFZXNNV-UHFFFAOYSA-N 1 2 347.287 3.519 20 0 EHADLO FC(F)Oc1ccccc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880267301 1137772416 /nfs/dbraw/zinc/77/24/16/1137772416.db2.gz CBLXPGOAFZXNNV-UHFFFAOYSA-N 1 2 347.287 3.519 20 0 EHADLO CC[N@H+](Cc1nnc(-c2ccccc2)s1)[C@H](CO)c1ccccc1 ZINC000880461404 1137779309 /nfs/dbraw/zinc/77/93/09/1137779309.db2.gz HAEUVBPPBBOYIX-QGZVFWFLSA-N 1 2 339.464 3.761 20 0 EHADLO CC[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@H](CO)c1ccccc1 ZINC000880461404 1137779310 /nfs/dbraw/zinc/77/93/10/1137779310.db2.gz HAEUVBPPBBOYIX-QGZVFWFLSA-N 1 2 339.464 3.761 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539908 1137781025 /nfs/dbraw/zinc/78/10/25/1137781025.db2.gz LUSQKLXFOFFIKI-KXBFYZLASA-N 1 2 336.435 3.958 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539908 1137781026 /nfs/dbraw/zinc/78/10/26/1137781026.db2.gz LUSQKLXFOFFIKI-KXBFYZLASA-N 1 2 336.435 3.958 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1)[NH+](C)C ZINC001137163227 1137800244 /nfs/dbraw/zinc/80/02/44/1137800244.db2.gz GJUQRSFLLZKIIK-ZDUSSCGKSA-N 1 2 328.460 3.574 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656989 1137812834 /nfs/dbraw/zinc/81/28/34/1137812834.db2.gz ITRNRMIHXYXOTA-IUODEOHRSA-N 1 2 347.409 3.661 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000881656989 1137812835 /nfs/dbraw/zinc/81/28/35/1137812835.db2.gz ITRNRMIHXYXOTA-IUODEOHRSA-N 1 2 347.409 3.661 20 0 EHADLO Cc1ccc([C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2(C)C)cc1 ZINC000881660037 1137813240 /nfs/dbraw/zinc/81/32/40/1137813240.db2.gz JVYJYUGPPXTYEH-WMZOPIPTSA-N 1 2 325.456 3.937 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000882571840 1137829607 /nfs/dbraw/zinc/82/96/07/1137829607.db2.gz INNUBCGQXJJSFC-RISCZKNCSA-N 1 2 341.308 3.657 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882574755 1137829866 /nfs/dbraw/zinc/82/98/66/1137829866.db2.gz LAAVSQIEXGVAJV-BZPMIXESSA-N 1 2 341.308 3.735 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCCC1(F)F ZINC000882871979 1137836150 /nfs/dbraw/zinc/83/61/50/1137836150.db2.gz SVPGSXKBUBWKRQ-HZPDHXFCSA-N 1 2 333.382 3.566 20 0 EHADLO Cc1c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1C(C)C ZINC000882871841 1137836263 /nfs/dbraw/zinc/83/62/63/1137836263.db2.gz PKUHHARAHVOQOT-IBGZPJMESA-N 1 2 336.439 3.745 20 0 EHADLO O=C(c1cc(Cl)ccc1F)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000096738509 1137842549 /nfs/dbraw/zinc/84/25/49/1137842549.db2.gz FTMFALYHXOATIS-SFHVURJKSA-N 1 2 344.817 3.534 20 0 EHADLO O=C(c1cc(Cl)ccc1F)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000096738509 1137842550 /nfs/dbraw/zinc/84/25/50/1137842550.db2.gz FTMFALYHXOATIS-SFHVURJKSA-N 1 2 344.817 3.534 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883134608 1137846030 /nfs/dbraw/zinc/84/60/30/1137846030.db2.gz DIUWIAOEEAEHFZ-YJBOKZPZSA-N 1 2 336.439 3.528 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883622609 1137865615 /nfs/dbraw/zinc/86/56/15/1137865615.db2.gz VIBCUFCOLARBGJ-QAPCUYQASA-N 1 2 326.444 3.502 20 0 EHADLO CC[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000104315611 1137878112 /nfs/dbraw/zinc/87/81/12/1137878112.db2.gz UMSIWRRDEAAACL-MRXNPFEDSA-N 1 2 329.444 3.973 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)nc(N)c2c1C ZINC000348249999 1137878716 /nfs/dbraw/zinc/87/87/16/1137878716.db2.gz XYLDOVWATKVQLL-WPRPVWTQSA-N 1 2 344.406 3.663 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)nc(N)c2c1C ZINC000348249999 1137878717 /nfs/dbraw/zinc/87/87/17/1137878717.db2.gz XYLDOVWATKVQLL-WPRPVWTQSA-N 1 2 344.406 3.663 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000106878622 1137884848 /nfs/dbraw/zinc/88/48/48/1137884848.db2.gz CYSMPJNISPOGGH-JSGCOSHPSA-N 1 2 331.485 3.630 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000106878622 1137884849 /nfs/dbraw/zinc/88/48/49/1137884849.db2.gz CYSMPJNISPOGGH-JSGCOSHPSA-N 1 2 331.485 3.630 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)c(OC)c1 ZINC000107297952 1137886179 /nfs/dbraw/zinc/88/61/79/1137886179.db2.gz QLBCAWAZXUMAEF-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)c(OC)c1 ZINC000107297952 1137886180 /nfs/dbraw/zinc/88/61/80/1137886180.db2.gz QLBCAWAZXUMAEF-KRWDZBQOSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000007974794 1137893771 /nfs/dbraw/zinc/89/37/71/1137893771.db2.gz JQVNYJKWTOGCMF-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000007974794 1137893772 /nfs/dbraw/zinc/89/37/72/1137893772.db2.gz JQVNYJKWTOGCMF-LBPRGKRZSA-N 1 2 336.819 3.709 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000111376616 1137904532 /nfs/dbraw/zinc/90/45/32/1137904532.db2.gz JXTJNXQPWUGYDG-NXEZZACHSA-N 1 2 339.411 3.662 20 0 EHADLO Cc1noc(CCC[N@@H+]2C[C@@H](c3ccccc3Cl)OCC2(C)C)n1 ZINC000331503771 1137910776 /nfs/dbraw/zinc/91/07/76/1137910776.db2.gz ZUEDXUHKQSGQLD-INIZCTEOSA-N 1 2 349.862 3.816 20 0 EHADLO Cc1noc(CCC[N@H+]2C[C@@H](c3ccccc3Cl)OCC2(C)C)n1 ZINC000331503771 1137910777 /nfs/dbraw/zinc/91/07/77/1137910777.db2.gz ZUEDXUHKQSGQLD-INIZCTEOSA-N 1 2 349.862 3.816 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000331615290 1137914528 /nfs/dbraw/zinc/91/45/28/1137914528.db2.gz DBKKRRSCNBFJGX-UHFFFAOYSA-N 1 2 333.461 3.506 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000331667286 1137916414 /nfs/dbraw/zinc/91/64/14/1137916414.db2.gz NOIUAUGXIFYPBU-INIZCTEOSA-N 1 2 340.471 3.778 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705335 1137918557 /nfs/dbraw/zinc/91/85/57/1137918557.db2.gz NIUDANZAWSHDIX-IRXDYDNUSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1C ZINC000114804241 1137919002 /nfs/dbraw/zinc/91/90/02/1137919002.db2.gz OREMIVYKQKRPBJ-KRWDZBQOSA-N 1 2 338.455 3.609 20 0 EHADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780711 1137920314 /nfs/dbraw/zinc/92/03/14/1137920314.db2.gz FZKHJLMXTVJCTE-QWRGUYRKSA-N 1 2 328.338 3.666 20 0 EHADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 ZINC000331780711 1137920315 /nfs/dbraw/zinc/92/03/15/1137920315.db2.gz FZKHJLMXTVJCTE-QWRGUYRKSA-N 1 2 328.338 3.666 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000116374612 1137925663 /nfs/dbraw/zinc/92/56/63/1137925663.db2.gz RKCLXVHZRHJPPQ-UHFFFAOYSA-N 1 2 348.468 3.728 20 0 EHADLO Cc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2cnn(C)c2)c2ccccc2)cc1 ZINC000348309621 1137932219 /nfs/dbraw/zinc/93/22/19/1137932219.db2.gz MUGYNKPYHYSZJM-OXQOHEQNSA-N 1 2 348.450 3.759 20 0 EHADLO CCc1cc2c(C[NH2+]C(C)(C)c3nccs3)cc(=O)oc2cc1O ZINC000118847657 1137935985 /nfs/dbraw/zinc/93/59/85/1137935985.db2.gz BLWKQTWWTOJLMS-UHFFFAOYSA-N 1 2 344.436 3.542 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000119028623 1137937415 /nfs/dbraw/zinc/93/74/15/1137937415.db2.gz QTUDFGVATUSDLO-KRWDZBQOSA-N 1 2 342.487 3.671 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@]1=O ZINC000429565633 1137944561 /nfs/dbraw/zinc/94/45/61/1137944561.db2.gz IJLJUYWPQQHCFT-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[S@@]1=O ZINC000429565633 1137944562 /nfs/dbraw/zinc/94/45/62/1137944562.db2.gz IJLJUYWPQQHCFT-MWTRTKDXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120009060 1137945996 /nfs/dbraw/zinc/94/59/96/1137945996.db2.gz GLNDKZIQWFZYJM-DZGCQCFKSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120009060 1137945997 /nfs/dbraw/zinc/94/59/97/1137945997.db2.gz GLNDKZIQWFZYJM-DZGCQCFKSA-N 1 2 344.484 3.801 20 0 EHADLO CCCCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000120355652 1137948912 /nfs/dbraw/zinc/94/89/12/1137948912.db2.gz WBIOXFYJJFICNI-UHFFFAOYSA-N 1 2 327.428 3.539 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000120720675 1137952068 /nfs/dbraw/zinc/95/20/68/1137952068.db2.gz HLLAOYGMLJDWPH-FZKQIMNGSA-N 1 2 330.453 3.669 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000120720675 1137952069 /nfs/dbraw/zinc/95/20/69/1137952069.db2.gz HLLAOYGMLJDWPH-FZKQIMNGSA-N 1 2 330.453 3.669 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2c1 ZINC000333112365 1137955695 /nfs/dbraw/zinc/95/56/95/1137955695.db2.gz FPGAOJOKFQPTBZ-UHFFFAOYSA-N 1 2 334.423 3.595 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2c1 ZINC000333112365 1137955696 /nfs/dbraw/zinc/95/56/96/1137955696.db2.gz FPGAOJOKFQPTBZ-UHFFFAOYSA-N 1 2 334.423 3.595 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885221458 1137989139 /nfs/dbraw/zinc/98/91/39/1137989139.db2.gz OJNGILKQQGTHNU-VAMGGRTRSA-N 1 2 349.478 3.969 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(CCC2)CO1 ZINC000885947030 1138027432 /nfs/dbraw/zinc/02/74/32/1138027432.db2.gz XWHCAQJPRKTQHU-OAHLLOKOSA-N 1 2 341.455 3.507 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(CCC2)CO1 ZINC000885947030 1138027434 /nfs/dbraw/zinc/02/74/34/1138027434.db2.gz XWHCAQJPRKTQHU-OAHLLOKOSA-N 1 2 341.455 3.507 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnccc2C)c(Br)c1 ZINC000348363760 1138046257 /nfs/dbraw/zinc/04/62/57/1138046257.db2.gz XJNGIXGNQFUVEF-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnccc2C)c(Br)c1 ZINC000348363760 1138046260 /nfs/dbraw/zinc/04/62/60/1138046260.db2.gz XJNGIXGNQFUVEF-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO C[C@@H](c1nnc(SC/C=C/Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000058165333 1138062376 /nfs/dbraw/zinc/06/23/76/1138062376.db2.gz CHQDOTQUOGEJJY-VKJYCEFSSA-N 1 2 340.855 3.874 20 0 EHADLO Cc1cccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1C ZINC000886306031 1138066487 /nfs/dbraw/zinc/06/64/87/1138066487.db2.gz XDYCMIYCGOKSRP-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO CC(C)CO[C@H](C)c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000072674276 1138107034 /nfs/dbraw/zinc/10/70/34/1138107034.db2.gz YNGQPKROSGODFU-CQSZACIVSA-N 1 2 342.399 3.568 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000078696343 1138151234 /nfs/dbraw/zinc/15/12/34/1138151234.db2.gz PYJYISDPCHELPV-UHFFFAOYSA-N 1 2 349.434 3.561 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnccc1Cl ZINC001137231900 1138180498 /nfs/dbraw/zinc/18/04/98/1138180498.db2.gz WWHHRCBIKNQUAU-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnccc1Cl ZINC001137231900 1138180500 /nfs/dbraw/zinc/18/05/00/1138180500.db2.gz WWHHRCBIKNQUAU-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnccc1Cl ZINC001137231901 1138180706 /nfs/dbraw/zinc/18/07/06/1138180706.db2.gz WWHHRCBIKNQUAU-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnccc1Cl ZINC001137231901 1138180707 /nfs/dbraw/zinc/18/07/07/1138180707.db2.gz WWHHRCBIKNQUAU-ZDUSSCGKSA-N 1 2 339.867 3.566 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C ZINC000085789215 1138185281 /nfs/dbraw/zinc/18/52/81/1138185281.db2.gz XBYUOWUESPAXQF-MRXNPFEDSA-N 1 2 332.444 3.610 20 0 EHADLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C ZINC000085789215 1138185282 /nfs/dbraw/zinc/18/52/82/1138185282.db2.gz XBYUOWUESPAXQF-MRXNPFEDSA-N 1 2 332.444 3.610 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000091081758 1138216046 /nfs/dbraw/zinc/21/60/46/1138216046.db2.gz DCOSOYGMKQLTFR-INIZCTEOSA-N 1 2 339.468 3.882 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000091081758 1138216049 /nfs/dbraw/zinc/21/60/49/1138216049.db2.gz DCOSOYGMKQLTFR-INIZCTEOSA-N 1 2 339.468 3.882 20 0 EHADLO O=C(c1ccccc1F)C1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137240438 1138239500 /nfs/dbraw/zinc/23/95/00/1138239500.db2.gz DMUQWANHHOHMGA-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1ccc2[nH+]cc(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2c1 ZINC000093769162 1138240658 /nfs/dbraw/zinc/24/06/58/1138240658.db2.gz DORMOFSFRWUMOT-YOEHRIQHSA-N 1 2 327.453 3.666 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)ccc1Oc1cccnc1 ZINC000093810125 1138241218 /nfs/dbraw/zinc/24/12/18/1138241218.db2.gz QVPULXMUKLGOKJ-SFHVURJKSA-N 1 2 349.438 3.648 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)ccc1Oc1cccnc1 ZINC000093810125 1138241219 /nfs/dbraw/zinc/24/12/19/1138241219.db2.gz QVPULXMUKLGOKJ-SFHVURJKSA-N 1 2 349.438 3.648 20 0 EHADLO CCCOc1ccc(C[NH2+][C@H](C)c2cnccn2)c(OC(F)F)c1 ZINC000123270771 1138268544 /nfs/dbraw/zinc/26/85/44/1138268544.db2.gz NBJPEHSHLCKISQ-GFCCVEGCSA-N 1 2 337.370 3.718 20 0 EHADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000123310924 1138268996 /nfs/dbraw/zinc/26/89/96/1138268996.db2.gz FLJBBRQMYQVLLX-LBTNJELSSA-N 1 2 347.409 3.765 20 0 EHADLO C[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124521595 1138288545 /nfs/dbraw/zinc/28/85/45/1138288545.db2.gz BYKFQZXMSJDBLT-YJBOKZPZSA-N 1 2 341.430 3.554 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125774287 1138315978 /nfs/dbraw/zinc/31/59/78/1138315978.db2.gz QVHHSBIMDHEHTE-IAQYHMDHSA-N 1 2 338.238 3.913 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126237857 1138326966 /nfs/dbraw/zinc/32/69/66/1138326966.db2.gz OIKLXHQPUXXQFX-CKWWRACOSA-N 1 2 327.403 3.535 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126603884 1138333866 /nfs/dbraw/zinc/33/38/66/1138333866.db2.gz HQHRGPFJYRFKNP-WMZOPIPTSA-N 1 2 325.456 3.579 20 0 EHADLO CO[C@H](C[N@H+](C)Cc1ncc(Cl)n1C)c1ccc(Cl)cc1 ZINC000282990047 1138338493 /nfs/dbraw/zinc/33/84/93/1138338493.db2.gz DXDXHYYGQMNPOY-CYBMUJFWSA-N 1 2 328.243 3.546 20 0 EHADLO CO[C@H](C[N@@H+](C)Cc1ncc(Cl)n1C)c1ccc(Cl)cc1 ZINC000282990047 1138338495 /nfs/dbraw/zinc/33/84/95/1138338495.db2.gz DXDXHYYGQMNPOY-CYBMUJFWSA-N 1 2 328.243 3.546 20 0 EHADLO Cc1nnc([C@@H]2CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)[nH]1 ZINC000334053208 1138365612 /nfs/dbraw/zinc/36/56/12/1138365612.db2.gz SRTVXTZHHGYZEZ-CQSZACIVSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)[nH]1 ZINC000334053208 1138365617 /nfs/dbraw/zinc/36/56/17/1138365617.db2.gz SRTVXTZHHGYZEZ-CQSZACIVSA-N 1 2 331.489 3.607 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)ccc2[nH+]1 ZINC000263792494 1138367122 /nfs/dbraw/zinc/36/71/22/1138367122.db2.gz IPOBQDKVWIZZGG-NEPJUHHUSA-N 1 2 325.334 3.950 20 0 EHADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2C1 ZINC000263909575 1138390947 /nfs/dbraw/zinc/39/09/47/1138390947.db2.gz BERZDYYPMAQQAX-OLZOCXBDSA-N 1 2 329.469 3.616 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263943706 1138395981 /nfs/dbraw/zinc/39/59/81/1138395981.db2.gz KIIXFFDKQZJCEH-NSHDSACASA-N 1 2 335.860 3.805 20 0 EHADLO O=C(NCCc1ccc2ccccc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263975087 1138400340 /nfs/dbraw/zinc/40/03/40/1138400340.db2.gz YSMWNTOYXHXNHE-LJQANCHMSA-N 1 2 348.450 3.695 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1noc2c1CCCCC2 ZINC000129190730 1138406154 /nfs/dbraw/zinc/40/61/54/1138406154.db2.gz GBDOYJDEEALCII-UHFFFAOYSA-N 1 2 340.358 3.521 20 0 EHADLO Cc1ccccc1C1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000336914850 1138426542 /nfs/dbraw/zinc/42/65/42/1138426542.db2.gz LZQLRKWOZPPFTI-UHFFFAOYSA-N 1 2 345.446 3.919 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2ccc(F)cc2F)c1)[NH+]1CCOCC1 ZINC000264205760 1138442783 /nfs/dbraw/zinc/44/27/83/1138442783.db2.gz IGLUBWIZNIXIAK-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO CSc1cccc(F)c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337015586 1138448159 /nfs/dbraw/zinc/44/81/59/1138448159.db2.gz LCSCKVMBZHIAFR-UHFFFAOYSA-N 1 2 341.411 3.663 20 0 EHADLO Cc1ccsc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264229030 1138448667 /nfs/dbraw/zinc/44/86/67/1138448667.db2.gz LSYDUKJVCNWSEO-CQSZACIVSA-N 1 2 330.453 3.702 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000130330738 1138448711 /nfs/dbraw/zinc/44/87/11/1138448711.db2.gz GHVXHKILGMYNPK-GFCCVEGCSA-N 1 2 336.407 3.545 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000130579132 1138463521 /nfs/dbraw/zinc/46/35/21/1138463521.db2.gz XNOLLQJORVADIG-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000130579132 1138463525 /nfs/dbraw/zinc/46/35/25/1138463525.db2.gz XNOLLQJORVADIG-HNNXBMFYSA-N 1 2 341.390 3.553 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000130672257 1138468542 /nfs/dbraw/zinc/46/85/42/1138468542.db2.gz IEWNMKKMGFKOFN-AWEZNQCLSA-N 1 2 347.459 3.614 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337135006 1138475768 /nfs/dbraw/zinc/47/57/68/1138475768.db2.gz NHGOSKOJYDJWID-SYNHAJSKSA-N 1 2 329.488 3.608 20 0 EHADLO O=C(Nc1ccc2ncsc2c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337142118 1138477619 /nfs/dbraw/zinc/47/76/19/1138477619.db2.gz SXQUDRFTULXHAP-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337142986 1138478290 /nfs/dbraw/zinc/47/82/90/1138478290.db2.gz XUEFOKFKPGUTHM-IKGGRYGDSA-N 1 2 329.488 3.752 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337158025 1138481873 /nfs/dbraw/zinc/48/18/73/1138481873.db2.gz QVITYBKPROAFMW-WMZOPIPTSA-N 1 2 341.499 3.896 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(Cl)c1F ZINC000337199178 1138493253 /nfs/dbraw/zinc/49/32/53/1138493253.db2.gz APZQPYSKBZFVOT-QGZVFWFLSA-N 1 2 330.790 3.851 20 0 EHADLO O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000337283711 1138519216 /nfs/dbraw/zinc/51/92/16/1138519216.db2.gz YFWQNFKUIRCUSZ-UHFFFAOYSA-N 1 2 343.333 3.655 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000337380849 1138551194 /nfs/dbraw/zinc/55/11/94/1138551194.db2.gz YTUJVUAARWPXEH-UHFFFAOYSA-N 1 2 328.481 3.543 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000337380849 1138551196 /nfs/dbraw/zinc/55/11/96/1138551196.db2.gz YTUJVUAARWPXEH-UHFFFAOYSA-N 1 2 328.481 3.543 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000337413417 1138560660 /nfs/dbraw/zinc/56/06/60/1138560660.db2.gz QEMOFDPHPIEULM-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000337413417 1138560663 /nfs/dbraw/zinc/56/06/63/1138560663.db2.gz QEMOFDPHPIEULM-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)s2)CC2CC2)c(OC)c1 ZINC000337469041 1138578248 /nfs/dbraw/zinc/57/82/48/1138578248.db2.gz VJHVROYANQGHSR-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)s2)CC2CC2)c(OC)c1 ZINC000337469041 1138578249 /nfs/dbraw/zinc/57/82/49/1138578249.db2.gz VJHVROYANQGHSR-UHFFFAOYSA-N 1 2 332.469 3.881 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337471476 1138578772 /nfs/dbraw/zinc/57/87/72/1138578772.db2.gz WFKNQPMJBJKGSE-QGZVFWFLSA-N 1 2 347.462 3.886 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000337471476 1138578775 /nfs/dbraw/zinc/57/87/75/1138578775.db2.gz WFKNQPMJBJKGSE-QGZVFWFLSA-N 1 2 347.462 3.886 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)nn1C ZINC000337511520 1138591094 /nfs/dbraw/zinc/59/10/94/1138591094.db2.gz JCQOMQCBCKKBMN-GFCCVEGCSA-N 1 2 327.350 3.520 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000337562936 1138606480 /nfs/dbraw/zinc/60/64/80/1138606480.db2.gz LVZXNWGQDAFABM-UHFFFAOYSA-N 1 2 342.786 3.753 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264733113 1138620790 /nfs/dbraw/zinc/62/07/90/1138620790.db2.gz ZSXMZAZWPDPBDA-INIZCTEOSA-N 1 2 329.469 3.687 20 0 EHADLO O=C(c1ccccc1)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000337964419 1138710615 /nfs/dbraw/zinc/71/06/15/1138710615.db2.gz PBHRPUTYYALTJJ-FQEVSTJZSA-N 1 2 338.426 3.661 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000338032310 1138729031 /nfs/dbraw/zinc/72/90/31/1138729031.db2.gz VLXDHYUHSLQBLM-SCZZXKLOSA-N 1 2 330.379 3.624 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000265111927 1138732448 /nfs/dbraw/zinc/73/24/48/1138732448.db2.gz HUAJSKJDUJQHMN-WOJBJXKFSA-N 1 2 336.435 3.692 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000265111927 1138732451 /nfs/dbraw/zinc/73/24/51/1138732451.db2.gz HUAJSKJDUJQHMN-WOJBJXKFSA-N 1 2 336.435 3.692 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000265221940 1138770711 /nfs/dbraw/zinc/77/07/11/1138770711.db2.gz LOHGIAHOSWEODS-HNNXBMFYSA-N 1 2 326.444 3.677 20 0 EHADLO CCOc1ccccc1[C@H](C)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000265247807 1138781318 /nfs/dbraw/zinc/78/13/18/1138781318.db2.gz NMRYSESKKCTGAH-KXBFYZLASA-N 1 2 326.440 3.565 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)no1 ZINC000136363550 1138796184 /nfs/dbraw/zinc/79/61/84/1138796184.db2.gz PTVIXJXGMCHSOU-UHFFFAOYSA-N 1 2 331.416 3.962 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)no1 ZINC000136363550 1138796187 /nfs/dbraw/zinc/79/61/87/1138796187.db2.gz PTVIXJXGMCHSOU-UHFFFAOYSA-N 1 2 331.416 3.962 20 0 EHADLO CC1(C)CC[C@H](NC(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000338303430 1138825219 /nfs/dbraw/zinc/82/52/19/1138825219.db2.gz GOVZXLVSAALFNQ-KRWDZBQOSA-N 1 2 338.455 3.605 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCCO[C@H]2CCCCO2)cs1 ZINC000338314190 1138829514 /nfs/dbraw/zinc/82/95/14/1138829514.db2.gz IHEVFCGZYQOGFM-HOCLYGCPSA-N 1 2 342.505 3.606 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCO[C@H]2CCCCO2)cs1 ZINC000338314190 1138829519 /nfs/dbraw/zinc/82/95/19/1138829519.db2.gz IHEVFCGZYQOGFM-HOCLYGCPSA-N 1 2 342.505 3.606 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315271 1138831003 /nfs/dbraw/zinc/83/10/03/1138831003.db2.gz LQRVTXKIVCUTLU-CVEARBPZSA-N 1 2 334.508 3.593 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315271 1138831010 /nfs/dbraw/zinc/83/10/10/1138831010.db2.gz LQRVTXKIVCUTLU-CVEARBPZSA-N 1 2 334.508 3.593 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccncc1F ZINC000338347837 1138845781 /nfs/dbraw/zinc/84/57/81/1138845781.db2.gz VXUOYOXLTCFACA-LBPRGKRZSA-N 1 2 342.370 3.994 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)s1 ZINC000338350250 1138846866 /nfs/dbraw/zinc/84/68/66/1138846866.db2.gz DYELHRHEARFJFP-DOMZBBRYSA-N 1 2 335.448 3.728 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)s1 ZINC000338350250 1138846871 /nfs/dbraw/zinc/84/68/71/1138846871.db2.gz DYELHRHEARFJFP-DOMZBBRYSA-N 1 2 335.448 3.728 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000338353185 1138849199 /nfs/dbraw/zinc/84/91/99/1138849199.db2.gz KDNFVOFJEMCIOX-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000338353185 1138849209 /nfs/dbraw/zinc/84/92/09/1138849209.db2.gz KDNFVOFJEMCIOX-SUNYJGFJSA-N 1 2 339.863 3.507 20 0 EHADLO CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1Cl ZINC000338382284 1138875474 /nfs/dbraw/zinc/87/54/74/1138875474.db2.gz COAYURSCBGHNFW-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1Cl ZINC000338382284 1138875488 /nfs/dbraw/zinc/87/54/88/1138875488.db2.gz COAYURSCBGHNFW-UHFFFAOYSA-N 1 2 342.870 3.747 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccc(C)o1)Cc1ccccc1Cl ZINC000338384569 1138878365 /nfs/dbraw/zinc/87/83/65/1138878365.db2.gz KWRCDEITLMTZRI-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccc(C)o1)Cc1ccccc1Cl ZINC000338384569 1138878371 /nfs/dbraw/zinc/87/83/71/1138878371.db2.gz KWRCDEITLMTZRI-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO COc1cnc2ccccc2c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000338402256 1138893355 /nfs/dbraw/zinc/89/33/55/1138893355.db2.gz UZGBDVPGOYVVMW-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000338467829 1138929840 /nfs/dbraw/zinc/92/98/40/1138929840.db2.gz ZCLSQVFHIGUUPI-RBUKOAKNSA-N 1 2 337.467 3.544 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccccc2N(C)C)nc1C ZINC000348490842 1138939222 /nfs/dbraw/zinc/93/92/22/1138939222.db2.gz JHTQEGSNLZBCML-ZDUSSCGKSA-N 1 2 347.484 3.545 20 0 EHADLO CCc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000338523297 1138955489 /nfs/dbraw/zinc/95/54/89/1138955489.db2.gz KJBZKTUMDUALBK-RTWAWAEBSA-N 1 2 345.446 3.855 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1ccnc1 ZINC000152003079 1139068683 /nfs/dbraw/zinc/06/86/83/1139068683.db2.gz HEFURAIGYUJIAR-CJNGLKHVSA-N 1 2 345.397 3.711 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1ccnc1 ZINC000152003079 1139068691 /nfs/dbraw/zinc/06/86/91/1139068691.db2.gz HEFURAIGYUJIAR-CJNGLKHVSA-N 1 2 345.397 3.711 20 0 EHADLO C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000152003079 1139068699 /nfs/dbraw/zinc/06/86/99/1139068699.db2.gz HEFURAIGYUJIAR-CJNGLKHVSA-N 1 2 345.397 3.711 20 0 EHADLO CC[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1OC)c1nccs1 ZINC000152648773 1139101534 /nfs/dbraw/zinc/10/15/34/1139101534.db2.gz ZFXXOKYYHKERCF-QGZVFWFLSA-N 1 2 336.457 3.584 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(Cc1ccoc1)C1CC1 ZINC000889091857 1139165745 /nfs/dbraw/zinc/16/57/45/1139165745.db2.gz HEOJYTPHEAESJN-SFHVURJKSA-N 1 2 335.407 3.716 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889556605 1139232750 /nfs/dbraw/zinc/23/27/50/1139232750.db2.gz DGWSHRWZTXFHPV-ULQDDVLXSA-N 1 2 330.476 3.635 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC000826680099 1139312807 /nfs/dbraw/zinc/31/28/07/1139312807.db2.gz CYDZCDNYRIXBNA-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC000826680099 1139312814 /nfs/dbraw/zinc/31/28/14/1139312814.db2.gz CYDZCDNYRIXBNA-INIZCTEOSA-N 1 2 334.341 3.680 20 0 EHADLO CCN(CC(C)(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890247742 1139330264 /nfs/dbraw/zinc/33/02/64/1139330264.db2.gz BMMCWVLNIMMIFU-QGZVFWFLSA-N 1 2 328.460 3.702 20 0 EHADLO C[C@@H]1CC2(CCC2)CN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251615 1139331065 /nfs/dbraw/zinc/33/10/65/1139331065.db2.gz YRKJVBQEXGTWLI-SJLPKXTDSA-N 1 2 338.455 3.599 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000890400015 1139355524 /nfs/dbraw/zinc/35/55/24/1139355524.db2.gz FAELPRLSKCFBIO-GOSISDBHSA-N 1 2 340.471 3.566 20 0 EHADLO CO[C@H](C)c1noc(C[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000175037106 1139459438 /nfs/dbraw/zinc/45/94/38/1139459438.db2.gz KYJCQRAHUYVFRH-OAHLLOKOSA-N 1 2 329.444 3.622 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175053181 1139460326 /nfs/dbraw/zinc/46/03/26/1139460326.db2.gz HTLDQJJURHERQF-RHSMWYFYSA-N 1 2 345.443 3.903 20 0 EHADLO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175053181 1139460330 /nfs/dbraw/zinc/46/03/30/1139460330.db2.gz HTLDQJJURHERQF-RHSMWYFYSA-N 1 2 345.443 3.903 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000175964052 1139531536 /nfs/dbraw/zinc/53/15/36/1139531536.db2.gz AMSMDMDRDPDYRA-HNNXBMFYSA-N 1 2 327.428 3.538 20 0 EHADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000176044249 1139536460 /nfs/dbraw/zinc/53/64/60/1139536460.db2.gz CAECVAWIULJFGN-UHFFFAOYSA-N 1 2 341.308 3.518 20 0 EHADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000176400678 1139556367 /nfs/dbraw/zinc/55/63/67/1139556367.db2.gz PERNBIVGLBXLGT-YSGRDPCXSA-N 1 2 333.435 3.592 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C(N)=O)c3ccccc3)c(C)c2c1 ZINC000177778792 1139640869 /nfs/dbraw/zinc/64/08/69/1139640869.db2.gz NJVAFLYPAZYELN-FZKQIMNGSA-N 1 2 338.407 3.627 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@@H](C(N)=O)c3ccccc3)c(C)c2c1 ZINC000177778807 1139640926 /nfs/dbraw/zinc/64/09/26/1139640926.db2.gz NJVAFLYPAZYELN-SCLBCKFNSA-N 1 2 338.407 3.627 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000178316262 1139687098 /nfs/dbraw/zinc/68/70/98/1139687098.db2.gz JOCKZMZJDXZGKX-NSHDSACASA-N 1 2 336.819 3.612 20 0 EHADLO Cc1cccc(OCCCCC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178383183 1139690187 /nfs/dbraw/zinc/69/01/87/1139690187.db2.gz RTTFSOARHQDXPM-UHFFFAOYSA-N 1 2 337.423 3.508 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1OC ZINC000178726785 1139714007 /nfs/dbraw/zinc/71/40/07/1139714007.db2.gz BEWYFTSRBFWGKN-ZDUSSCGKSA-N 1 2 343.402 3.650 20 0 EHADLO Cc1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)on1 ZINC000178950059 1139726833 /nfs/dbraw/zinc/72/68/33/1139726833.db2.gz BGMZXGLSISJGRX-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO Cc1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)on1 ZINC000178950059 1139726839 /nfs/dbraw/zinc/72/68/39/1139726839.db2.gz BGMZXGLSISJGRX-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO C[C@H](NCc1cccc2[nH+]ccn21)c1nc(C2CCCCC2)no1 ZINC000179428777 1139755852 /nfs/dbraw/zinc/75/58/52/1139755852.db2.gz GIDCDFKBJBHDBJ-ZDUSSCGKSA-N 1 2 325.416 3.616 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000179662146 1139772946 /nfs/dbraw/zinc/77/29/46/1139772946.db2.gz ZXOXXLGWLBHPMH-SFHVURJKSA-N 1 2 347.480 3.867 20 0 EHADLO CCOCc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000179662146 1139772948 /nfs/dbraw/zinc/77/29/48/1139772948.db2.gz ZXOXXLGWLBHPMH-SFHVURJKSA-N 1 2 347.480 3.867 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1OCc1cccs1 ZINC000179866641 1139789600 /nfs/dbraw/zinc/78/96/00/1139789600.db2.gz APKWPPMRNYGCDB-AWEZNQCLSA-N 1 2 333.453 3.556 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1OCc1cccs1 ZINC000179866641 1139789603 /nfs/dbraw/zinc/78/96/03/1139789603.db2.gz APKWPPMRNYGCDB-AWEZNQCLSA-N 1 2 333.453 3.556 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CCO1 ZINC000179950108 1139795622 /nfs/dbraw/zinc/79/56/22/1139795622.db2.gz WGMODGXVPVSQRJ-NMLACTOBSA-N 1 2 342.483 3.671 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000180148272 1139813261 /nfs/dbraw/zinc/81/32/61/1139813261.db2.gz NONYHYGEHVVAIB-KRWDZBQOSA-N 1 2 331.847 3.707 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000180148272 1139813270 /nfs/dbraw/zinc/81/32/70/1139813270.db2.gz NONYHYGEHVVAIB-KRWDZBQOSA-N 1 2 331.847 3.707 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)s1 ZINC000180559264 1139844720 /nfs/dbraw/zinc/84/47/20/1139844720.db2.gz FHDAOTZAWBLGNA-UHFFFAOYSA-N 1 2 326.469 3.738 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)s1 ZINC000180559264 1139844725 /nfs/dbraw/zinc/84/47/25/1139844725.db2.gz FHDAOTZAWBLGNA-UHFFFAOYSA-N 1 2 326.469 3.738 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180844149 1139867866 /nfs/dbraw/zinc/86/78/66/1139867866.db2.gz LWQDZESJCYHFAQ-CMPLNLGQSA-N 1 2 341.274 3.944 20 0 EHADLO CCCc1noc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000180937831 1139872913 /nfs/dbraw/zinc/87/29/13/1139872913.db2.gz BSQLAICRYJOILI-LLVKDONJSA-N 1 2 343.349 3.814 20 0 EHADLO COC[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000181704731 1139926060 /nfs/dbraw/zinc/92/60/60/1139926060.db2.gz DUNDSKKGINIPIP-OAQYLSRUSA-N 1 2 347.462 3.838 20 0 EHADLO COCc1noc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 ZINC000182470496 1139974844 /nfs/dbraw/zinc/97/48/44/1139974844.db2.gz RICMTIHVCNPCFM-YHYOWMERSA-N 1 2 335.835 3.917 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000182677949 1139986303 /nfs/dbraw/zinc/98/63/03/1139986303.db2.gz BHYPEUNBIKHNIC-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C)C2 ZINC000182677949 1139986307 /nfs/dbraw/zinc/98/63/07/1139986307.db2.gz BHYPEUNBIKHNIC-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO CCO[C@@H]1C[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C12CCC2 ZINC000182940771 1140002709 /nfs/dbraw/zinc/00/27/09/1140002709.db2.gz CEURICYNNFHRDA-RBUKOAKNSA-N 1 2 341.455 3.722 20 0 EHADLO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000183126715 1140015003 /nfs/dbraw/zinc/01/50/03/1140015003.db2.gz PYERHKVEDSZNCW-BSGVFPLJSA-N 1 2 328.437 3.598 20 0 EHADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000183146975 1140016031 /nfs/dbraw/zinc/01/60/31/1140016031.db2.gz UZWIMCNYBXSAMC-QKFKETGDSA-N 1 2 329.469 3.592 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cnn1C ZINC000183318935 1140029545 /nfs/dbraw/zinc/02/95/45/1140029545.db2.gz XFCIHPGAPHXMFY-GFCCVEGCSA-N 1 2 327.457 3.779 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000184292222 1140093210 /nfs/dbraw/zinc/09/32/10/1140093210.db2.gz LSBHKFZCQOOTPT-IEBWSBKVSA-N 1 2 347.422 3.637 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc2ccccc21)c1ccco1 ZINC000184527230 1140107377 /nfs/dbraw/zinc/10/73/77/1140107377.db2.gz WFDZHKXSLYWLIS-RDTXWAMCSA-N 1 2 338.407 3.737 20 0 EHADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000184593393 1140111059 /nfs/dbraw/zinc/11/10/59/1140111059.db2.gz UKBBGDZTJLVFBM-ZDUSSCGKSA-N 1 2 337.439 3.960 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(-c2cnn(C)c2C)no1)c1nc(C)cs1 ZINC000184668883 1140114087 /nfs/dbraw/zinc/11/40/87/1140114087.db2.gz YDQAKUQPZMSUEQ-QGZVFWFLSA-N 1 2 345.472 3.563 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000184679887 1140114427 /nfs/dbraw/zinc/11/44/27/1140114427.db2.gz RZFJHOZOTBNTCZ-VIFPVBQESA-N 1 2 341.839 3.787 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(SC)cc1)c1ccc(C)o1 ZINC000184747115 1140118828 /nfs/dbraw/zinc/11/88/28/1140118828.db2.gz ZYCGEHHFYXCFKS-CZUORRHYSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)o1 ZINC000184826750 1140121843 /nfs/dbraw/zinc/12/18/43/1140121843.db2.gz MNHZTAFYVYSQAQ-CXAGYDPISA-N 1 2 348.418 3.594 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(F)cc1Cl ZINC000185053950 1140134102 /nfs/dbraw/zinc/13/41/02/1140134102.db2.gz NZXSXCCFXLPESF-SNVBAGLBSA-N 1 2 334.782 3.718 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000189245719 1140330620 /nfs/dbraw/zinc/33/06/20/1140330620.db2.gz PSJKWRYLBIEGRD-TZZQJPOUSA-N 1 2 337.467 3.837 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000190544670 1140409176 /nfs/dbraw/zinc/40/91/76/1140409176.db2.gz HQMUWAWJUNQLCB-ZDUSSCGKSA-N 1 2 348.422 3.551 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccccc3NC(C)=O)CCO2)cc1 ZINC000191665329 1140477503 /nfs/dbraw/zinc/47/75/03/1140477503.db2.gz NDMJJGLKVFMZMK-NRFANRHFSA-N 1 2 338.451 3.781 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3NC(C)=O)CCO2)cc1 ZINC000191665329 1140477505 /nfs/dbraw/zinc/47/75/05/1140477505.db2.gz NDMJJGLKVFMZMK-NRFANRHFSA-N 1 2 338.451 3.781 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2cocn2)cc(C)c1OCC(F)(F)F ZINC000191935499 1140494985 /nfs/dbraw/zinc/49/49/85/1140494985.db2.gz WOOMCPJCFCYHTF-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2cocn2)cc(C)c1OCC(F)(F)F ZINC000191935499 1140494988 /nfs/dbraw/zinc/49/49/88/1140494988.db2.gz WOOMCPJCFCYHTF-UHFFFAOYSA-N 1 2 328.334 3.865 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192143300 1140505947 /nfs/dbraw/zinc/50/59/47/1140505947.db2.gz WMWBCXPMRNWOFJ-WKPIXPDZSA-N 1 2 337.370 3.652 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccccc1 ZINC000192260476 1140516725 /nfs/dbraw/zinc/51/67/25/1140516725.db2.gz BCFYSCADLGDIOD-UHFFFAOYSA-N 1 2 327.472 3.662 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000192781846 1140550161 /nfs/dbraw/zinc/55/01/61/1140550161.db2.gz VHYHWPSWOPVJTE-CQSZACIVSA-N 1 2 342.365 3.641 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000193152457 1140564946 /nfs/dbraw/zinc/56/49/46/1140564946.db2.gz YYOJVQJJWGFEJZ-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c[nH+]cn1C ZINC000193415408 1140574935 /nfs/dbraw/zinc/57/49/35/1140574935.db2.gz NSIYFWFUFWCMPW-GOSISDBHSA-N 1 2 343.471 3.655 20 0 EHADLO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1CC ZINC000193527807 1140579166 /nfs/dbraw/zinc/57/91/66/1140579166.db2.gz GAJUCGVHMFYSPS-KRWDZBQOSA-N 1 2 330.476 3.964 20 0 EHADLO CSc1ccc(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)cc1 ZINC001279188384 1140729076 /nfs/dbraw/zinc/72/90/76/1140729076.db2.gz LSCYWCMSMFDJHC-UHFFFAOYSA-N 1 2 344.446 3.869 20 0 EHADLO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC000266947572 1140741961 /nfs/dbraw/zinc/74/19/61/1140741961.db2.gz RVENRFJTXJLIBG-UHFFFAOYSA-N 1 2 340.254 3.718 20 0 EHADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266993345 1140748333 /nfs/dbraw/zinc/74/83/33/1140748333.db2.gz YVUCUHNUHHLRCY-CQSZACIVSA-N 1 2 342.443 3.999 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2ccc(Br)s2)cs1 ZINC000267079999 1140757406 /nfs/dbraw/zinc/75/74/06/1140757406.db2.gz KDATVBRAQANHAF-MRVPVSSYSA-N 1 2 347.303 3.964 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000267131137 1140761038 /nfs/dbraw/zinc/76/10/38/1140761038.db2.gz DIQLWKQMGAMWBW-MGPUTAFESA-N 1 2 325.431 3.587 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000267153349 1140763663 /nfs/dbraw/zinc/76/36/63/1140763663.db2.gz FDJNCRQGKJMXKZ-VIFPVBQESA-N 1 2 326.227 3.520 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c(C)s1 ZINC000267271125 1140773967 /nfs/dbraw/zinc/77/39/67/1140773967.db2.gz ZPAPUCLQODCHCF-HIFRSBDPSA-N 1 2 346.500 3.537 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c(C)s1 ZINC000267271125 1140773970 /nfs/dbraw/zinc/77/39/70/1140773970.db2.gz ZPAPUCLQODCHCF-HIFRSBDPSA-N 1 2 346.500 3.537 20 0 EHADLO CC(C)Oc1ccccc1C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000267375458 1140784151 /nfs/dbraw/zinc/78/41/51/1140784151.db2.gz LIBFUDXYRDLOSK-LJQANCHMSA-N 1 2 346.858 3.618 20 0 EHADLO C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000717591625 1140808183 /nfs/dbraw/zinc/80/81/83/1140808183.db2.gz JDNLYUDFLZSALP-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000717591625 1140808197 /nfs/dbraw/zinc/80/81/97/1140808197.db2.gz JDNLYUDFLZSALP-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cs1 ZINC000267605681 1140809488 /nfs/dbraw/zinc/80/94/88/1140809488.db2.gz GGTHJFGSMHENJA-LBPRGKRZSA-N 1 2 332.469 3.854 20 0 EHADLO CC(C)[N@H+](Cc1cncn1C)Cc1cc(Br)ccc1F ZINC000267634742 1140813912 /nfs/dbraw/zinc/81/39/12/1140813912.db2.gz UBWGFTHUJFDUPB-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO CC(C)[N@@H+](Cc1cncn1C)Cc1cc(Br)ccc1F ZINC000267634742 1140813921 /nfs/dbraw/zinc/81/39/21/1140813921.db2.gz UBWGFTHUJFDUPB-UHFFFAOYSA-N 1 2 340.240 3.732 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccncc1 ZINC000267885133 1140846878 /nfs/dbraw/zinc/84/68/78/1140846878.db2.gz HMMUQGUIFQQQCC-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccncc1 ZINC000267885133 1140846890 /nfs/dbraw/zinc/84/68/90/1140846890.db2.gz HMMUQGUIFQQQCC-UHFFFAOYSA-N 1 2 331.847 3.812 20 0 EHADLO CC[N@H+](Cc1ccncc1)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000267920893 1140849224 /nfs/dbraw/zinc/84/92/24/1140849224.db2.gz QILOHGQLKUOEPT-LBPRGKRZSA-N 1 2 342.468 3.992 20 0 EHADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000267920893 1140849231 /nfs/dbraw/zinc/84/92/31/1140849231.db2.gz QILOHGQLKUOEPT-LBPRGKRZSA-N 1 2 342.468 3.992 20 0 EHADLO CC(C)OCc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268369277 1140928525 /nfs/dbraw/zinc/92/85/25/1140928525.db2.gz JRMPLJIABZLFJO-VQIMIIECSA-N 1 2 341.455 3.531 20 0 EHADLO CCOc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000268446874 1140939435 /nfs/dbraw/zinc/93/94/35/1140939435.db2.gz ZGEDEBSQMWOQOO-YOEHRIQHSA-N 1 2 342.443 3.705 20 0 EHADLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000268447522 1140940611 /nfs/dbraw/zinc/94/06/11/1140940611.db2.gz FEQVRVIJQYFYPZ-UHFFFAOYSA-N 1 2 330.457 3.760 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)nnn1-c1ccc(C)cc1 ZINC000268882025 1141015708 /nfs/dbraw/zinc/01/57/08/1141015708.db2.gz MZJPEOWZZAIQNL-KUHUBIRLSA-N 1 2 348.450 3.928 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269411501 1141104752 /nfs/dbraw/zinc/10/47/52/1141104752.db2.gz FJRGPCABNOKBFN-DOTOQJQBSA-N 1 2 343.496 3.685 20 0 EHADLO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nnc2n1CCCCC2 ZINC000269463753 1141111694 /nfs/dbraw/zinc/11/16/94/1141111694.db2.gz ICFPSSVRCOMKSU-UHFFFAOYSA-N 1 2 348.878 3.559 20 0 EHADLO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nnc2n1CCCCC2 ZINC000269463753 1141111696 /nfs/dbraw/zinc/11/16/96/1141111696.db2.gz ICFPSSVRCOMKSU-UHFFFAOYSA-N 1 2 348.878 3.559 20 0 EHADLO FC(F)Oc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000269988947 1141165923 /nfs/dbraw/zinc/16/59/23/1141165923.db2.gz TZIRFJCAOXBPGE-UHFFFAOYSA-N 1 2 334.370 3.680 20 0 EHADLO CC1(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000270000138 1141166323 /nfs/dbraw/zinc/16/63/23/1141166323.db2.gz XWGBGKFZPKXDRB-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO CC(C)c1cc(N2CC[C@@H](OCc3ccccn3)C2)nc(C(C)C)[nH+]1 ZINC000270537153 1141237382 /nfs/dbraw/zinc/23/73/82/1141237382.db2.gz WQRDYGVQRTWNTQ-QGZVFWFLSA-N 1 2 340.471 3.914 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000270730838 1141262480 /nfs/dbraw/zinc/26/24/80/1141262480.db2.gz HJYVSBDIXHRVIH-OAQYLSRUSA-N 1 2 345.446 3.642 20 0 EHADLO OC1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000271025159 1141295044 /nfs/dbraw/zinc/29/50/44/1141295044.db2.gz DVLCZNWJLJWOTL-UHFFFAOYSA-N 1 2 327.268 3.681 20 0 EHADLO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cscn1)c1cccc(OC)c1 ZINC000271113323 1141308136 /nfs/dbraw/zinc/30/81/36/1141308136.db2.gz HVKZYORCVXUBSB-KBXCAEBGSA-N 1 2 333.501 3.885 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cs1 ZINC000271459300 1141373048 /nfs/dbraw/zinc/37/30/48/1141373048.db2.gz FYANAMLVTHBJPA-NOZJJQNGSA-N 1 2 341.274 3.598 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000271471545 1141376118 /nfs/dbraw/zinc/37/61/18/1141376118.db2.gz GCHKHOIDBDTBQA-GPMSIDNRSA-N 1 2 345.487 3.875 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000274153480 1141480096 /nfs/dbraw/zinc/48/00/96/1141480096.db2.gz FOMLEALDMXLXGD-MNOVXSKESA-N 1 2 345.472 3.542 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000339132533 1141505431 /nfs/dbraw/zinc/50/54/31/1141505431.db2.gz QIHRVPOJKJJPDG-UHFFFAOYSA-N 1 2 339.420 3.844 20 0 EHADLO C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000274389551 1141513036 /nfs/dbraw/zinc/51/30/36/1141513036.db2.gz IBMWNAKAJXVFDS-LBPRGKRZSA-N 1 2 340.448 3.530 20 0 EHADLO CC(C)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000339201509 1141526181 /nfs/dbraw/zinc/52/61/81/1141526181.db2.gz SRLQZOIFTOZQEC-WBVHZDCISA-N 1 2 329.419 3.695 20 0 EHADLO CCn1nc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c2ccccc21 ZINC000274450201 1141532347 /nfs/dbraw/zinc/53/23/47/1141532347.db2.gz FCLVWHWXZWBYFQ-UHFFFAOYSA-N 1 2 333.439 3.541 20 0 EHADLO CCCOc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC ZINC000348699032 1141567954 /nfs/dbraw/zinc/56/79/54/1141567954.db2.gz ACUPZBNFWLFTNB-KRWDZBQOSA-N 1 2 329.444 3.934 20 0 EHADLO CCCOc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC ZINC000348699032 1141567956 /nfs/dbraw/zinc/56/79/56/1141567956.db2.gz ACUPZBNFWLFTNB-KRWDZBQOSA-N 1 2 329.444 3.934 20 0 EHADLO C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348805449 1141582470 /nfs/dbraw/zinc/58/24/70/1141582470.db2.gz SGCUUGPQSHKNHT-MAUKXSAKSA-N 1 2 346.434 3.649 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000348847338 1141595644 /nfs/dbraw/zinc/59/56/44/1141595644.db2.gz JLXDMJMAWYEKJV-INIZCTEOSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000348847338 1141595646 /nfs/dbraw/zinc/59/56/46/1141595646.db2.gz JLXDMJMAWYEKJV-INIZCTEOSA-N 1 2 327.428 3.819 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000348898400 1141606078 /nfs/dbraw/zinc/60/60/78/1141606078.db2.gz YNMWFKAKVYLMFK-KRWDZBQOSA-N 1 2 347.846 3.764 20 0 EHADLO C[N@H+](CCSC1CCCCC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000283377063 1141612857 /nfs/dbraw/zinc/61/28/57/1141612857.db2.gz SRSGRHFIKRRWGL-UHFFFAOYSA-N 1 2 337.514 3.895 20 0 EHADLO C[N@@H+](CCSC1CCCCC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000283377063 1141612860 /nfs/dbraw/zinc/61/28/60/1141612860.db2.gz SRSGRHFIKRRWGL-UHFFFAOYSA-N 1 2 337.514 3.895 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccsc2)s1)Cc1cccnc1 ZINC000348969389 1141617156 /nfs/dbraw/zinc/61/71/56/1141617156.db2.gz SQHSSQPAUZCMEI-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccsc2)s1)Cc1cccnc1 ZINC000348969389 1141617157 /nfs/dbraw/zinc/61/71/57/1141617157.db2.gz SQHSSQPAUZCMEI-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO FC(F)n1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)n1 ZINC000349081806 1141635765 /nfs/dbraw/zinc/63/57/65/1141635765.db2.gz WGMGOBYOOKFUAH-UHFFFAOYSA-N 1 2 342.393 3.918 20 0 EHADLO FC(F)n1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)n1 ZINC000349081806 1141635766 /nfs/dbraw/zinc/63/57/66/1141635766.db2.gz WGMGOBYOOKFUAH-UHFFFAOYSA-N 1 2 342.393 3.918 20 0 EHADLO Cc1ccc(C)c(CS(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000098176404 219086597 /nfs/dbraw/zinc/08/65/97/219086597.db2.gz SVHKRPCANHSWNQ-UHFFFAOYSA-N 1 2 348.855 3.720 20 0 EHADLO COc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000036652249 213107307 /nfs/dbraw/zinc/10/73/07/213107307.db2.gz GTRAYDVAUDKWAG-UHFFFAOYSA-N 1 2 345.468 3.636 20 0 EHADLO Cn1c(C[NH+]2CCC(Oc3ccccc3F)CC2)nc2ccccc21 ZINC000019656977 212053647 /nfs/dbraw/zinc/05/36/47/212053647.db2.gz OCONQLAUAQQROF-UHFFFAOYSA-N 1 2 339.414 3.756 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000122653015 222131865 /nfs/dbraw/zinc/13/18/65/222131865.db2.gz LQJIGBMDNKCCSY-RYUDHWBXSA-N 1 2 345.270 3.821 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000122653015 222131868 /nfs/dbraw/zinc/13/18/68/222131868.db2.gz LQJIGBMDNKCCSY-RYUDHWBXSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000036758990 526289372 /nfs/dbraw/zinc/28/93/72/526289372.db2.gz OLUXETHKAGTQCK-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363383598 527210103 /nfs/dbraw/zinc/21/01/03/527210103.db2.gz WLTINELEXPDLCL-LLVKDONJSA-N 1 2 338.238 3.665 20 0 EHADLO Cc1noc(C)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000225499840 564135451 /nfs/dbraw/zinc/13/54/51/564135451.db2.gz BKDOUJFTKSEHGF-GDBMZVCRSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1noc(C)c1C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000225499840 564135452 /nfs/dbraw/zinc/13/54/52/564135452.db2.gz BKDOUJFTKSEHGF-GDBMZVCRSA-N 1 2 340.345 3.618 20 0 EHADLO Fc1c(Br)cccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000449026230 1032058304 /nfs/dbraw/zinc/05/83/04/1032058304.db2.gz DXKFHPUSLKMYLD-UHFFFAOYSA-N 1 2 342.252 3.979 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)n1cc[nH+]c1 ZINC000904451268 1032058333 /nfs/dbraw/zinc/05/83/33/1032058333.db2.gz VZLFCCONWCCFPN-AWEZNQCLSA-N 1 2 347.378 3.924 20 0 EHADLO CCOC(=O)c1noc(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000459395291 1032059480 /nfs/dbraw/zinc/05/94/80/1032059480.db2.gz PAOGLMBPCQFIJK-AWEZNQCLSA-N 1 2 349.406 3.653 20 0 EHADLO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(O)c1Br ZINC000459419821 1032065051 /nfs/dbraw/zinc/06/50/51/1032065051.db2.gz BMGIWVMGWOWZRK-ZDUSSCGKSA-N 1 2 334.213 3.637 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(OC)c1 ZINC000536658697 1032069568 /nfs/dbraw/zinc/06/95/68/1032069568.db2.gz RNQUNJVSDGSANL-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(OC)c1 ZINC000536658697 1032069572 /nfs/dbraw/zinc/06/95/72/1032069572.db2.gz RNQUNJVSDGSANL-XOBRGWDASA-N 1 2 345.414 3.805 20 0 EHADLO Clc1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(Cl)s1 ZINC000449035186 1032073850 /nfs/dbraw/zinc/07/38/50/1032073850.db2.gz GBWALXGOIFHELN-GFCCVEGCSA-N 1 2 336.284 3.825 20 0 EHADLO Cc1cn2cc(NC(=O)c3csc(Cc4ccccc4)n3)ccc2[nH+]1 ZINC000339267078 1014133624 /nfs/dbraw/zinc/13/36/24/1014133624.db2.gz XZJWJKPDPQTOGN-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO O=C(CC[C@H]1CCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044569011 1014171423 /nfs/dbraw/zinc/17/14/23/1014171423.db2.gz NNYSQSJOBAQSSJ-GOSISDBHSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1cc(NC(=O)NCCNc2cccc[nH+]2)cc(C(F)(F)F)c1 ZINC000683088713 1014261206 /nfs/dbraw/zinc/26/12/06/1014261206.db2.gz YSJIPZDISNDFHT-UHFFFAOYSA-N 1 2 338.333 3.642 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000683097567 1014292428 /nfs/dbraw/zinc/29/24/28/1014292428.db2.gz IRXFQJDTYYACAB-SNVBAGLBSA-N 1 2 332.354 3.606 20 0 EHADLO CC(C)[C@H]1[N@H+](Cc2c(F)cncc2Br)CC12CCC2 ZINC000668184997 1030877616 /nfs/dbraw/zinc/87/76/16/1030877616.db2.gz ZWIMVPWJCSBPPU-CQSZACIVSA-N 1 2 327.241 3.994 20 0 EHADLO CC(C)[C@H]1[N@@H+](Cc2c(F)cncc2Br)CC12CCC2 ZINC000668184997 1030877635 /nfs/dbraw/zinc/87/76/35/1030877635.db2.gz ZWIMVPWJCSBPPU-CQSZACIVSA-N 1 2 327.241 3.994 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000654759559 1014357417 /nfs/dbraw/zinc/35/74/17/1014357417.db2.gz CAHGFJMEBGVOMB-KKSFZXQISA-N 1 2 345.446 3.763 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000654759559 1014357429 /nfs/dbraw/zinc/35/74/29/1014357429.db2.gz CAHGFJMEBGVOMB-KKSFZXQISA-N 1 2 345.446 3.763 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000654825379 1014443574 /nfs/dbraw/zinc/44/35/74/1014443574.db2.gz ZKPWHOMUKBIZNC-NXHRZFHOSA-N 1 2 347.503 3.565 20 0 EHADLO CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000654825379 1014443577 /nfs/dbraw/zinc/44/35/77/1014443577.db2.gz ZKPWHOMUKBIZNC-NXHRZFHOSA-N 1 2 347.503 3.565 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CCO2)c1 ZINC000449021858 1032093825 /nfs/dbraw/zinc/09/38/25/1032093825.db2.gz VXGNWQUCMBGXNY-SFHVURJKSA-N 1 2 345.464 3.873 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CCO2)c1 ZINC000449021858 1032093844 /nfs/dbraw/zinc/09/38/44/1032093844.db2.gz VXGNWQUCMBGXNY-SFHVURJKSA-N 1 2 345.464 3.873 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000339463204 1014518357 /nfs/dbraw/zinc/51/83/57/1014518357.db2.gz LTKQOWASVZVSNJ-QGZVFWFLSA-N 1 2 346.434 3.793 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000339473793 1014542260 /nfs/dbraw/zinc/54/22/60/1014542260.db2.gz SNCIVJVABONZQU-RKLZZMFGSA-N 1 2 341.499 3.733 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)OCC1CC1 ZINC000784922661 1014579233 /nfs/dbraw/zinc/57/92/33/1014579233.db2.gz NRDOLQSIZPNFAQ-OAHLLOKOSA-N 1 2 340.826 3.752 20 0 EHADLO COc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1Br ZINC000648058523 1014587855 /nfs/dbraw/zinc/58/78/55/1014587855.db2.gz OTDWJUMLSMVYOC-UHFFFAOYSA-N 1 2 334.204 3.935 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000449023544 1032097996 /nfs/dbraw/zinc/09/79/96/1032097996.db2.gz RUNHHSNOGONXGT-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000449023544 1032098013 /nfs/dbraw/zinc/09/80/13/1032098013.db2.gz RUNHHSNOGONXGT-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528343209 1032102077 /nfs/dbraw/zinc/10/20/77/1032102077.db2.gz CBRBMJDYBVQHKF-UHFFFAOYSA-N 1 2 339.464 3.596 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528343209 1032102093 /nfs/dbraw/zinc/10/20/93/1032102093.db2.gz CBRBMJDYBVQHKF-UHFFFAOYSA-N 1 2 339.464 3.596 20 0 EHADLO CC[C@](C)(C(=O)[O-])[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001594787538 981822585 /nfs/dbraw/zinc/82/25/85/981822585.db2.gz HKONIRFUYDJHBY-HXUWFJFHSA-N 1 2 341.455 3.646 20 0 EHADLO CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001594787538 981822595 /nfs/dbraw/zinc/82/25/95/981822595.db2.gz HKONIRFUYDJHBY-HXUWFJFHSA-N 1 2 341.455 3.646 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cccnc2C(F)(F)F)c(OC)c1 ZINC000528343328 1032104822 /nfs/dbraw/zinc/10/48/22/1032104822.db2.gz BMLMELSQDJAUMT-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cccnc2C(F)(F)F)c(OC)c1 ZINC000528343328 1032104830 /nfs/dbraw/zinc/10/48/30/1032104830.db2.gz BMLMELSQDJAUMT-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)sc1-c1ccccc1 ZINC000655070827 1014918265 /nfs/dbraw/zinc/91/82/65/1014918265.db2.gz MJTDXQNHBBIOJN-OAHLLOKOSA-N 1 2 337.448 3.665 20 0 EHADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728194313 1014940197 /nfs/dbraw/zinc/94/01/97/1014940197.db2.gz KCVYQMPCHXQRAO-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1ccc(Cl)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728194313 1014940208 /nfs/dbraw/zinc/94/02/08/1014940208.db2.gz KCVYQMPCHXQRAO-MRXNPFEDSA-N 1 2 346.833 3.885 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655082310 1014958673 /nfs/dbraw/zinc/95/86/73/1014958673.db2.gz FHLYSWLVLLYVCH-SFHVURJKSA-N 1 2 337.423 3.875 20 0 EHADLO COc1cccc2c1[C@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CC2 ZINC000339591907 1015102026 /nfs/dbraw/zinc/10/20/26/1015102026.db2.gz AUYPFSCYALKFGX-MRXNPFEDSA-N 1 2 333.391 3.754 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC001625804918 1015162890 /nfs/dbraw/zinc/16/28/90/1015162890.db2.gz CXFMEYMBNPKDRA-RVDMUPIBSA-N 1 2 337.448 3.713 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ncnn2CC(C)C)cc1 ZINC000182598317 1032112282 /nfs/dbraw/zinc/11/22/82/1032112282.db2.gz JNLUGNSRZYYOQG-GOSISDBHSA-N 1 2 328.460 3.670 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ncnn2CC(C)C)cc1 ZINC000182598317 1032112289 /nfs/dbraw/zinc/11/22/89/1032112289.db2.gz JNLUGNSRZYYOQG-GOSISDBHSA-N 1 2 328.460 3.670 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1cc2c(cccc2Cl)s1 ZINC000620175017 1125495986 /nfs/dbraw/zinc/49/59/86/1125495986.db2.gz DQLLUGLTNXESFR-UHFFFAOYSA-N 1 2 331.828 3.792 20 0 EHADLO Cc1nc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)nc2ccccc12 ZINC000547704379 1015332554 /nfs/dbraw/zinc/33/25/54/1015332554.db2.gz IEPOUGUDFACMDL-UHFFFAOYSA-N 1 2 335.436 3.680 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+](C)CCOc2ccc(F)cc2)n1 ZINC000070761209 1015394299 /nfs/dbraw/zinc/39/42/99/1015394299.db2.gz MMVMQOMUYAKFFU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+](C)CCOc2ccc(F)cc2)n1 ZINC000070761209 1015394312 /nfs/dbraw/zinc/39/43/12/1015394312.db2.gz MMVMQOMUYAKFFU-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cc2ccccc2o1 ZINC000182639633 1032115601 /nfs/dbraw/zinc/11/56/01/1032115601.db2.gz MLSFTHZWKBNMGL-ZDUSSCGKSA-N 1 2 333.391 3.531 20 0 EHADLO CC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000339636984 1015443025 /nfs/dbraw/zinc/44/30/25/1015443025.db2.gz CAXLHNBLCCSICQ-GOSISDBHSA-N 1 2 343.496 3.727 20 0 EHADLO CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000154519730 1015519927 /nfs/dbraw/zinc/51/99/27/1015519927.db2.gz ZAMWODFLQIXYDN-QFBILLFUSA-N 1 2 340.471 3.818 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000182661717 1032118946 /nfs/dbraw/zinc/11/89/46/1032118946.db2.gz CTRAXKYBEQYPRS-UHFFFAOYSA-N 1 2 330.451 3.528 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C2CC2)o1 ZINC000164989608 1015590269 /nfs/dbraw/zinc/59/02/69/1015590269.db2.gz ASAGRXFJXWXMSN-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C2CC2)o1 ZINC000164989608 1015590276 /nfs/dbraw/zinc/59/02/76/1015590276.db2.gz ASAGRXFJXWXMSN-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339792310 1015677066 /nfs/dbraw/zinc/67/70/66/1015677066.db2.gz NVZJNCLQTIMJJW-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2c(F)cccc2C1 ZINC000339792310 1015677069 /nfs/dbraw/zinc/67/70/69/1015677069.db2.gz NVZJNCLQTIMJJW-UONOGXRCSA-N 1 2 344.405 3.589 20 0 EHADLO Cc1cc(N)nc(SCc2cccc(OCC(F)(F)F)c2)[nH+]1 ZINC000059833358 1015684992 /nfs/dbraw/zinc/68/49/92/1015684992.db2.gz UZEXZWMWODKVKU-UHFFFAOYSA-N 1 2 329.347 3.601 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339824356 1015704920 /nfs/dbraw/zinc/70/49/20/1015704920.db2.gz FIHQVNFZHRXAJQ-NSHDSACASA-N 1 2 346.780 3.539 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339824356 1015704931 /nfs/dbraw/zinc/70/49/31/1015704931.db2.gz FIHQVNFZHRXAJQ-NSHDSACASA-N 1 2 346.780 3.539 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825671 1015709595 /nfs/dbraw/zinc/70/95/95/1015709595.db2.gz WTMVVRYJUDDHSB-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000339825671 1015709600 /nfs/dbraw/zinc/70/96/00/1015709600.db2.gz WTMVVRYJUDDHSB-XMSQKQJNSA-N 1 2 347.462 3.893 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000339844689 1015738234 /nfs/dbraw/zinc/73/82/34/1015738234.db2.gz VZYZRVRSGUWHJM-UHFFFAOYSA-N 1 2 327.334 3.593 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000088250984 1015760782 /nfs/dbraw/zinc/76/07/82/1015760782.db2.gz WCCCABNRTBULOU-LJQANCHMSA-N 1 2 329.419 3.850 20 0 EHADLO CC(C)[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000154777349 1015804037 /nfs/dbraw/zinc/80/40/37/1015804037.db2.gz KQQXDLDQAMUNMN-KRWDZBQOSA-N 1 2 333.863 3.825 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cnn(C(C)C)c2)C2CC2)c1 ZINC000180105450 1015859933 /nfs/dbraw/zinc/85/99/33/1015859933.db2.gz CEQGPPQGKSGKCN-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cnn(C(C)C)c2)C2CC2)c1 ZINC000180105450 1015859939 /nfs/dbraw/zinc/85/99/39/1015859939.db2.gz CEQGPPQGKSGKCN-UHFFFAOYSA-N 1 2 329.444 3.646 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000154903715 1015926650 /nfs/dbraw/zinc/92/66/50/1015926650.db2.gz ORASCPLWZTWWPO-UHFFFAOYSA-N 1 2 347.462 3.954 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001625830989 1015979879 /nfs/dbraw/zinc/97/98/79/1015979879.db2.gz GFEMCPUMYJRGFK-UHFFFAOYSA-N 1 2 333.435 3.629 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569934 1016177311 /nfs/dbraw/zinc/17/73/11/1016177311.db2.gz AYJRMHILGODQKY-IAGOWNOFSA-N 1 2 347.503 3.806 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047576144 1016184423 /nfs/dbraw/zinc/18/44/23/1016184423.db2.gz HUHIIZVNVVNCOJ-MRXNPFEDSA-N 1 2 332.492 3.566 20 0 EHADLO Clc1cc(N2CCC(n3cc[nH+]c3)CC2)c(-c2ccccc2)nn1 ZINC001167125644 1016205826 /nfs/dbraw/zinc/20/58/26/1016205826.db2.gz BMTPZVAXGSXDNM-UHFFFAOYSA-N 1 2 339.830 3.835 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H](c3cccnc3)C3CC3)c12 ZINC000340079871 1016224801 /nfs/dbraw/zinc/22/48/01/1016224801.db2.gz VNYWEPLEPQOQJS-GOSISDBHSA-N 1 2 342.406 3.774 20 0 EHADLO C[C@@H]1CCC[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433798 1016247747 /nfs/dbraw/zinc/24/77/47/1016247747.db2.gz ZPCPFIIRKOACEJ-SJORKVTESA-N 1 2 340.471 3.652 20 0 EHADLO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209627899 1016444600 /nfs/dbraw/zinc/44/46/00/1016444600.db2.gz KCNVXJZVQBJNII-AWEZNQCLSA-N 1 2 339.867 3.533 20 0 EHADLO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209627899 1016444611 /nfs/dbraw/zinc/44/46/11/1016444611.db2.gz KCNVXJZVQBJNII-AWEZNQCLSA-N 1 2 339.867 3.533 20 0 EHADLO c1cc(C2CC2)[nH+]c(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001167176208 1016481942 /nfs/dbraw/zinc/48/19/42/1016481942.db2.gz XIZDXILHBRPXKX-GASCZTMLSA-N 1 2 328.419 3.993 20 0 EHADLO O=C(NC1(Cc2ccccc2)CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613561530 1016546989 /nfs/dbraw/zinc/54/69/89/1016546989.db2.gz RATWWUNHZATCBF-GOSISDBHSA-N 1 2 337.467 3.507 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(F)cc1F ZINC001167237770 1016715575 /nfs/dbraw/zinc/71/55/75/1016715575.db2.gz SKJNDTRIBGRGKV-UHFFFAOYSA-N 1 2 348.393 3.824 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(F)cc1F ZINC001167237770 1016715586 /nfs/dbraw/zinc/71/55/86/1016715586.db2.gz SKJNDTRIBGRGKV-UHFFFAOYSA-N 1 2 348.393 3.824 20 0 EHADLO CC1(C)C[N@H+](CCCS(=O)(=O)c2ccccc2)Cc2ccccc21 ZINC000340240059 1016766998 /nfs/dbraw/zinc/76/69/98/1016766998.db2.gz RFZCWPXSNJQFPV-UHFFFAOYSA-N 1 2 343.492 3.644 20 0 EHADLO CC1(C)C[N@@H+](CCCS(=O)(=O)c2ccccc2)Cc2ccccc21 ZINC000340240059 1016767008 /nfs/dbraw/zinc/76/70/08/1016767008.db2.gz RFZCWPXSNJQFPV-UHFFFAOYSA-N 1 2 343.492 3.644 20 0 EHADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000706001734 1016839378 /nfs/dbraw/zinc/83/93/78/1016839378.db2.gz SSSCRESYNZVAMH-WBMJQRKESA-N 1 2 343.814 3.995 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1nccs1 ZINC000179411868 1016869804 /nfs/dbraw/zinc/86/98/04/1016869804.db2.gz BPGWFWFZOWAFBR-AWEZNQCLSA-N 1 2 329.469 3.620 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000579904839 1016932889 /nfs/dbraw/zinc/93/28/89/1016932889.db2.gz VFGPXTDXRWMDQQ-IBGZPJMESA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000579904839 1016932903 /nfs/dbraw/zinc/93/29/03/1016932903.db2.gz VFGPXTDXRWMDQQ-IBGZPJMESA-N 1 2 334.419 3.515 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000120804795 1016972654 /nfs/dbraw/zinc/97/26/54/1016972654.db2.gz PWSIZGXUGTXYOV-KBPBESRZSA-N 1 2 334.427 3.609 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc(OCC)cc2)n1 ZINC000590114898 1017024195 /nfs/dbraw/zinc/02/41/95/1017024195.db2.gz BXEFMGSGYSSPCS-GFCCVEGCSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1cc(F)c(CNc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000459456398 1032153990 /nfs/dbraw/zinc/15/39/90/1032153990.db2.gz HRGGFSARTZSYFU-UHFFFAOYSA-N 1 2 335.810 3.631 20 0 EHADLO O=C(C/C=C/c1ccc(F)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080569140 1032157165 /nfs/dbraw/zinc/15/71/65/1032157165.db2.gz XIWDNVVGHMQTII-OWOJBTEDSA-N 1 2 349.409 3.790 20 0 EHADLO CN(C(=O)Cn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000343751672 1032165720 /nfs/dbraw/zinc/16/57/20/1032165720.db2.gz JMMGWNBQFJZOLD-SFHVURJKSA-N 1 2 331.847 3.926 20 0 EHADLO Cc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(C2CC2)[nH+]1 ZINC000080717634 1032172684 /nfs/dbraw/zinc/17/26/84/1032172684.db2.gz GTRQEXKRQDKTIG-ZAMGYDSWSA-N 1 2 329.469 3.597 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000449118392 1032209412 /nfs/dbraw/zinc/20/94/12/1032209412.db2.gz SHSFERHSOXNWEQ-UHFFFAOYSA-N 1 2 349.356 3.897 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528389359 1032209719 /nfs/dbraw/zinc/20/97/19/1032209719.db2.gz SMEWEBXOQAYOHP-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528389359 1032209703 /nfs/dbraw/zinc/20/97/03/1032209703.db2.gz SMEWEBXOQAYOHP-AWEZNQCLSA-N 1 2 332.806 3.969 20 0 EHADLO CC[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCC(C)CC1 ZINC000461023212 1032213807 /nfs/dbraw/zinc/21/38/07/1032213807.db2.gz KFBAJTONBFGZNA-HIEASXQVSA-N 1 2 329.488 3.629 20 0 EHADLO CCOc1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc(Cl)c1O ZINC000459531188 1032250038 /nfs/dbraw/zinc/25/00/38/1032250038.db2.gz UPBSPNOZGNTEQS-UHFFFAOYSA-N 1 2 345.830 3.653 20 0 EHADLO CC(C)(C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459532188 1032250753 /nfs/dbraw/zinc/25/07/53/1032250753.db2.gz OMDWZQHGBXDBGU-KRWDZBQOSA-N 1 2 343.471 3.751 20 0 EHADLO CC(C)Oc1cc(C[N@H+](Cc2cc(CO)ccc2F)C2CC2)ccn1 ZINC000528424560 1032281814 /nfs/dbraw/zinc/28/18/14/1032281814.db2.gz ZYYRGPAQXNHWSN-UHFFFAOYSA-N 1 2 344.430 3.665 20 0 EHADLO CC(C)Oc1cc(C[N@@H+](Cc2cc(CO)ccc2F)C2CC2)ccn1 ZINC000528424560 1032281823 /nfs/dbraw/zinc/28/18/23/1032281823.db2.gz ZYYRGPAQXNHWSN-UHFFFAOYSA-N 1 2 344.430 3.665 20 0 EHADLO Cc1ccc2c(c1)N(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)C[C@@H](C)O2 ZINC000081452389 1032320029 /nfs/dbraw/zinc/32/00/29/1032320029.db2.gz JYMBRRASEYAXKR-MRXNPFEDSA-N 1 2 347.418 3.668 20 0 EHADLO Clc1ccc(C[NH+]2CC3(C2)CCCOC3)c(Br)c1 ZINC000459605036 1032322326 /nfs/dbraw/zinc/32/23/26/1032322326.db2.gz LFQLZTDFSWVUKY-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO c1cc(CNc2ccc(N3CCCCC3)[nH+]c2)n(C2CCCC2)n1 ZINC000449225859 1032344370 /nfs/dbraw/zinc/34/43/70/1032344370.db2.gz VFKSLZXECQHFMI-UHFFFAOYSA-N 1 2 325.460 3.996 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459631269 1032348869 /nfs/dbraw/zinc/34/88/69/1032348869.db2.gz KCVGFPPINQXXGU-NSHDSACASA-N 1 2 349.887 3.883 20 0 EHADLO COc1ccc(-n2cc(C[NH+]3CC(C)(CC(F)(F)F)C3)cn2)cc1 ZINC000459632790 1032348589 /nfs/dbraw/zinc/34/85/89/1032348589.db2.gz FKZJTTRGKHVPGH-UHFFFAOYSA-N 1 2 339.361 3.655 20 0 EHADLO O=C(Nc1ccccc1)C1([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449266112 1032384950 /nfs/dbraw/zinc/38/49/50/1032384950.db2.gz UNJUNDSXOOKCSF-CQSZACIVSA-N 1 2 346.352 3.852 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449288036 1032413376 /nfs/dbraw/zinc/41/33/76/1032413376.db2.gz MEGCBSDQMILKJE-QGZVFWFLSA-N 1 2 344.434 3.576 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449288036 1032413385 /nfs/dbraw/zinc/41/33/85/1032413385.db2.gz MEGCBSDQMILKJE-QGZVFWFLSA-N 1 2 344.434 3.576 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C ZINC000332927246 1017273862 /nfs/dbraw/zinc/27/38/62/1017273862.db2.gz UPBKZLKIBUOLPC-BRWVUGGUSA-N 1 2 345.487 3.817 20 0 EHADLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000459723921 1032430832 /nfs/dbraw/zinc/43/08/32/1032430832.db2.gz VVDBSAJVALTWED-CYBMUJFWSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000459723921 1032430841 /nfs/dbraw/zinc/43/08/41/1032430841.db2.gz VVDBSAJVALTWED-CYBMUJFWSA-N 1 2 345.270 3.823 20 0 EHADLO Fc1cccc2c1C[N@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000459729338 1032434494 /nfs/dbraw/zinc/43/44/94/1032434494.db2.gz JBJMPQCZDHZMEL-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO Fc1cccc2c1C[N@@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000459729338 1032434500 /nfs/dbraw/zinc/43/45/00/1032434500.db2.gz JBJMPQCZDHZMEL-UHFFFAOYSA-N 1 2 329.400 3.886 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536951073 1032458304 /nfs/dbraw/zinc/45/83/04/1032458304.db2.gz MGVUEFKTWNQFQP-GJZGRUSLSA-N 1 2 341.858 3.712 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536951073 1032458314 /nfs/dbraw/zinc/45/83/14/1032458314.db2.gz MGVUEFKTWNQFQP-GJZGRUSLSA-N 1 2 341.858 3.712 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1nccn1-c1ccccc1)C2 ZINC000528599169 1032483336 /nfs/dbraw/zinc/48/33/36/1032483336.db2.gz XXDLIKFKLFJHFE-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1nccn1-c1ccccc1)C2 ZINC000528599169 1032483347 /nfs/dbraw/zinc/48/33/47/1032483347.db2.gz XXDLIKFKLFJHFE-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO COCCCOc1cc(C)ccc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000088744404 1032509456 /nfs/dbraw/zinc/50/94/56/1032509456.db2.gz ZDDHRPKWCZKQPS-UHFFFAOYSA-N 1 2 340.427 3.602 20 0 EHADLO COc1cc(C[NH2+][C@@H](C)C(C)(F)F)ccc1OCC(F)(F)F ZINC000449417801 1032521671 /nfs/dbraw/zinc/52/16/71/1032521671.db2.gz ZSAPFXURTZVYGQ-VIFPVBQESA-N 1 2 327.293 3.770 20 0 EHADLO Cc1nc2[nH]ccc2c(NC[C@H](C)c2nc(-c3ccccc3)no2)[nH+]1 ZINC000089641448 1032534768 /nfs/dbraw/zinc/53/47/68/1032534768.db2.gz SNOADWUBCUNOGL-NSHDSACASA-N 1 2 334.383 3.532 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccsc2Cl)C[C@@H]1c1ccccc1 ZINC000449423430 1032536517 /nfs/dbraw/zinc/53/65/17/1032536517.db2.gz OENAQZFYWHDRRU-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccsc2Cl)C[C@@H]1c1ccccc1 ZINC000449423430 1032536521 /nfs/dbraw/zinc/53/65/21/1032536521.db2.gz OENAQZFYWHDRRU-ZBFHGGJFSA-N 1 2 325.836 3.702 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1c(F)cccc1Cl ZINC000537173911 1032547325 /nfs/dbraw/zinc/54/73/25/1032547325.db2.gz OALHDSPMPFROHB-JHJVBQTASA-N 1 2 326.843 3.634 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089971228 1032549059 /nfs/dbraw/zinc/54/90/59/1032549059.db2.gz NAJRGEULUJKYBB-GFCCVEGCSA-N 1 2 340.345 3.792 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000449418697 1032551384 /nfs/dbraw/zinc/55/13/84/1032551384.db2.gz FATKFKDCSKCLJO-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000449418697 1032551392 /nfs/dbraw/zinc/55/13/92/1032551392.db2.gz FATKFKDCSKCLJO-QAPCUYQASA-N 1 2 337.797 3.779 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccco3)on2)c(OC)c1 ZINC000528672893 1032561932 /nfs/dbraw/zinc/56/19/32/1032561932.db2.gz GWIJAOJYWGUEAY-LBPRGKRZSA-N 1 2 328.368 3.803 20 0 EHADLO CC(C)CC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC1 ZINC000537285361 1032593673 /nfs/dbraw/zinc/59/36/73/1032593673.db2.gz UOBMFKIARBEGMZ-UHFFFAOYSA-N 1 2 339.483 3.807 20 0 EHADLO COc1cc[nH+]cc1NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000119178331 1032675398 /nfs/dbraw/zinc/67/53/98/1032675398.db2.gz PQWXBBIRSVVCOJ-UHFFFAOYSA-N 1 2 342.317 3.652 20 0 EHADLO CN(C(=O)CCCn1cc[nH+]c1)c1nc2cc(Cl)ccc2s1 ZINC000683452825 1017206758 /nfs/dbraw/zinc/20/67/58/1017206758.db2.gz SQJGFMYJCDYRMP-UHFFFAOYSA-N 1 2 334.832 3.589 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3F)s2)cnn1C ZINC000549130698 1017265705 /nfs/dbraw/zinc/26/57/05/1017265705.db2.gz GROMOPZGFMZOBM-QWRGUYRKSA-N 1 2 345.447 3.798 20 0 EHADLO Fc1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000549133721 1017293210 /nfs/dbraw/zinc/29/32/10/1017293210.db2.gz KZYKDKBZTSECFQ-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO CC(C)[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000549139991 1017321458 /nfs/dbraw/zinc/32/14/58/1017321458.db2.gz OTOPWHQCYOOPQJ-IBGZPJMESA-N 1 2 327.472 3.774 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135617078 1017332421 /nfs/dbraw/zinc/33/24/21/1017332421.db2.gz LUMKCZUTAYKAFS-MRXNPFEDSA-N 1 2 342.468 3.954 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135617078 1017332434 /nfs/dbraw/zinc/33/24/34/1017332434.db2.gz LUMKCZUTAYKAFS-MRXNPFEDSA-N 1 2 342.468 3.954 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606448818 1032691856 /nfs/dbraw/zinc/69/18/56/1032691856.db2.gz HIMZBBJKNXFTAU-OAHLLOKOSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000606448818 1032691862 /nfs/dbraw/zinc/69/18/62/1032691862.db2.gz HIMZBBJKNXFTAU-OAHLLOKOSA-N 1 2 330.447 3.752 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccc(F)cc1 ZINC000606449505 1032693277 /nfs/dbraw/zinc/69/32/77/1032693277.db2.gz XVNCKVHDJIFUNP-UONOGXRCSA-N 1 2 344.405 3.761 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)c1ccc(F)cc1 ZINC000606449505 1032693282 /nfs/dbraw/zinc/69/32/82/1032693282.db2.gz XVNCKVHDJIFUNP-UONOGXRCSA-N 1 2 344.405 3.761 20 0 EHADLO CCOc1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1OC(F)F ZINC000655724177 1017466253 /nfs/dbraw/zinc/46/62/53/1017466253.db2.gz XGOSBDOMAQBLHJ-ZDUSSCGKSA-N 1 2 337.370 3.508 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528733145 1032703752 /nfs/dbraw/zinc/70/37/52/1032703752.db2.gz JSQCBFYZFJPYAR-UHFFFAOYSA-N 1 2 331.366 3.514 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528733145 1032703765 /nfs/dbraw/zinc/70/37/65/1032703765.db2.gz JSQCBFYZFJPYAR-UHFFFAOYSA-N 1 2 331.366 3.514 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1C(C)C ZINC000081798034 1032703945 /nfs/dbraw/zinc/70/39/45/1032703945.db2.gz XSYPDBWQBBQESP-DOTOQJQBSA-N 1 2 343.471 3.535 20 0 EHADLO Cc1nnc(C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)s1 ZINC000655758337 1017552001 /nfs/dbraw/zinc/55/20/01/1017552001.db2.gz WMLKVRTXHQODAE-UHFFFAOYSA-N 1 2 330.482 3.877 20 0 EHADLO CC(C)(C)C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000655796832 1017635583 /nfs/dbraw/zinc/63/55/83/1017635583.db2.gz JMYOWQCQVYKQLL-HZPDHXFCSA-N 1 2 328.460 3.923 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000655798097 1017638713 /nfs/dbraw/zinc/63/87/13/1017638713.db2.gz TULRUYYQUAUMLE-XJKSGUPXSA-N 1 2 328.460 3.805 20 0 EHADLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000655798090 1017639193 /nfs/dbraw/zinc/63/91/93/1017639193.db2.gz TULRUYYQUAUMLE-CJNGLKHVSA-N 1 2 328.460 3.805 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)cc1 ZINC000549224584 1017699368 /nfs/dbraw/zinc/69/93/68/1017699368.db2.gz XRLWJJVNTXRPHT-UHFFFAOYSA-N 1 2 348.406 3.917 20 0 EHADLO Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000892908153 1017702451 /nfs/dbraw/zinc/70/24/51/1017702451.db2.gz QMTFOMWPDYMTBK-UHFFFAOYSA-N 1 2 343.427 3.566 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@H+]([C@H](C)c2nccc(N)n2)CC1 ZINC000528742005 1032719248 /nfs/dbraw/zinc/71/92/48/1032719248.db2.gz KCXVOFQYSTVUHL-CYBMUJFWSA-N 1 2 328.847 3.701 20 0 EHADLO Cc1cc(Cl)ccc1C1=CC[N@@H+]([C@H](C)c2nccc(N)n2)CC1 ZINC000528742005 1032719260 /nfs/dbraw/zinc/71/92/60/1032719260.db2.gz KCXVOFQYSTVUHL-CYBMUJFWSA-N 1 2 328.847 3.701 20 0 EHADLO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)s1 ZINC000340427290 1017752234 /nfs/dbraw/zinc/75/22/34/1017752234.db2.gz SYXGQGRVZNTOPZ-CBAPKCEASA-N 1 2 341.278 3.724 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000008005782 1017755947 /nfs/dbraw/zinc/75/59/47/1017755947.db2.gz MLHPKCVATGPMEI-CYBMUJFWSA-N 1 2 338.879 3.618 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000008005782 1017755959 /nfs/dbraw/zinc/75/59/59/1017755959.db2.gz MLHPKCVATGPMEI-CYBMUJFWSA-N 1 2 338.879 3.618 20 0 EHADLO CC1(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000377406072 1017768840 /nfs/dbraw/zinc/76/88/40/1017768840.db2.gz XXQPZCOQCIOEQQ-MRXNPFEDSA-N 1 2 329.488 3.896 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440164 1017818424 /nfs/dbraw/zinc/81/84/24/1017818424.db2.gz AORUXZURBJCCAJ-YUTCNCBUSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440164 1017818437 /nfs/dbraw/zinc/81/84/37/1017818437.db2.gz AORUXZURBJCCAJ-YUTCNCBUSA-N 1 2 344.377 3.524 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c(F)c1 ZINC000547972484 1017826185 /nfs/dbraw/zinc/82/61/85/1017826185.db2.gz BPTSUMWWUUVWLJ-FQEVSTJZSA-N 1 2 347.405 3.945 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CCCOCc3ccccc3)CCO2)c(F)c1 ZINC000547972484 1017826205 /nfs/dbraw/zinc/82/62/05/1017826205.db2.gz BPTSUMWWUUVWLJ-FQEVSTJZSA-N 1 2 347.405 3.945 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000343844222 1017841043 /nfs/dbraw/zinc/84/10/43/1017841043.db2.gz URCGWZAVXLAQQU-GZMMTYOYSA-N 1 2 334.338 3.685 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000606506830 1032732701 /nfs/dbraw/zinc/73/27/01/1032732701.db2.gz VBRHPKSWIIBRBG-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000341029104 1017929292 /nfs/dbraw/zinc/92/92/92/1017929292.db2.gz VANUISHNMQRKAB-IAGOWNOFSA-N 1 2 330.472 3.674 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)on1 ZINC000659847492 1017980423 /nfs/dbraw/zinc/98/04/23/1017980423.db2.gz OMEPURPWOMTMKB-AWEZNQCLSA-N 1 2 337.217 3.783 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)on1 ZINC000659847492 1017980436 /nfs/dbraw/zinc/98/04/36/1017980436.db2.gz OMEPURPWOMTMKB-AWEZNQCLSA-N 1 2 337.217 3.783 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C\C1CCCCC1 ZINC000255129472 1017989065 /nfs/dbraw/zinc/98/90/65/1017989065.db2.gz DQWYAWCOXAZQDG-KTKRTIGZSA-N 1 2 342.483 3.902 20 0 EHADLO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000377585119 1018016136 /nfs/dbraw/zinc/01/61/36/1018016136.db2.gz TZEQOLQOSUAWCL-KGLIPLIRSA-N 1 2 335.325 3.823 20 0 EHADLO Clc1ccc(C[NH2+]Cc2ccco2)c(I)c1 ZINC000309486231 1018064510 /nfs/dbraw/zinc/06/45/10/1018064510.db2.gz GMLPDILTNXXVRH-UHFFFAOYSA-N 1 2 347.583 3.827 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000343847015 1018054618 /nfs/dbraw/zinc/05/46/18/1018054618.db2.gz DVOUTSISDKMSIH-QMMMGPOBSA-N 1 2 334.338 3.644 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000349254165 1018068745 /nfs/dbraw/zinc/06/87/45/1018068745.db2.gz YENHKRBTJIPTEC-DTWKUNHWSA-N 1 2 328.199 3.659 20 0 EHADLO CN(C)c1cc(Cl)[nH+]c(NC2CC(C)(C)N(O)C(C)(C)C2)c1 ZINC001167719542 1018072512 /nfs/dbraw/zinc/07/25/12/1018072512.db2.gz NNAXLOABSGXIEK-UHFFFAOYSA-N 1 2 326.872 3.624 20 0 EHADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3c(F)cc(F)cc3F)c(C)n2n1 ZINC000340491938 1018114389 /nfs/dbraw/zinc/11/43/89/1018114389.db2.gz TYDNABJIPLCUBM-SNVBAGLBSA-N 1 2 334.345 3.614 20 0 EHADLO Cc1ccccc1C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000580017497 1018121297 /nfs/dbraw/zinc/12/12/97/1018121297.db2.gz MLNGCQZKCCKLCH-UHFFFAOYSA-N 1 2 349.478 3.551 20 0 EHADLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccncc1F ZINC000340500647 1018154913 /nfs/dbraw/zinc/15/49/13/1018154913.db2.gz GFSULQPLKOWUSX-SGTLLEGYSA-N 1 2 328.366 3.534 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)ccn1 ZINC000340504272 1018160946 /nfs/dbraw/zinc/16/09/46/1018160946.db2.gz FNMXWIGFOUWGPS-IUCAKERBSA-N 1 2 331.363 3.977 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 ZINC000340522386 1018207344 /nfs/dbraw/zinc/20/73/44/1018207344.db2.gz DKDIUEXZWHZPEF-HXUWFJFHSA-N 1 2 331.419 3.860 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)cn1 ZINC000340525161 1018212117 /nfs/dbraw/zinc/21/21/17/1018212117.db2.gz MELIBSVZDNAXSD-NRFANRHFSA-N 1 2 345.446 3.537 20 0 EHADLO Cc1cn2cc(NC(=O)NCc3nc(C(C)(C)C)cs3)ccc2[nH+]1 ZINC000606569134 1032751814 /nfs/dbraw/zinc/75/18/14/1032751814.db2.gz YXFSJYPYALSPSY-UHFFFAOYSA-N 1 2 343.456 3.718 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](Cc3ccccc3)C3CC3)ccc2[nH+]1 ZINC000606568832 1032752343 /nfs/dbraw/zinc/75/23/43/1032752343.db2.gz ARUITNOYDUDVCA-GOSISDBHSA-N 1 2 334.423 3.786 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000123551718 1018342136 /nfs/dbraw/zinc/34/21/36/1018342136.db2.gz ZNKVZUQECMMTMF-UHFFFAOYSA-N 1 2 331.375 3.885 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@H](c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)C2)cc1 ZINC000656047041 1018355152 /nfs/dbraw/zinc/35/51/52/1018355152.db2.gz LIACVOFLFHMPKU-BDXSIMOUSA-N 1 2 339.439 3.547 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@H](c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)C2)cc1 ZINC000656047041 1018355164 /nfs/dbraw/zinc/35/51/64/1018355164.db2.gz LIACVOFLFHMPKU-BDXSIMOUSA-N 1 2 339.439 3.547 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343848476 1018360532 /nfs/dbraw/zinc/36/05/32/1018360532.db2.gz HPUGRSMAJHPYDR-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)s1 ZINC000294901058 1018386730 /nfs/dbraw/zinc/38/67/30/1018386730.db2.gz IEXYTLBCZUJVLF-UHFFFAOYSA-N 1 2 335.448 3.596 20 0 EHADLO COc1cccc(C2=CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)c1 ZINC000377811015 1018407506 /nfs/dbraw/zinc/40/75/06/1018407506.db2.gz IBNAXKNJINYPSX-UHFFFAOYSA-N 1 2 348.406 3.664 20 0 EHADLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H](C)c1ccc(F)cc1 ZINC000588364472 1018432273 /nfs/dbraw/zinc/43/22/73/1018432273.db2.gz HUKRGFNDTBUTMF-OAHLLOKOSA-N 1 2 339.414 3.934 20 0 EHADLO Cc1c(CNC(=O)Nc2ccc3[nH+]ccn3c2)oc2ccc(F)cc12 ZINC000606580277 1032764077 /nfs/dbraw/zinc/76/40/77/1032764077.db2.gz HSXRBOPXDLCEBO-UHFFFAOYSA-N 1 2 338.342 3.850 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000549350360 1018461433 /nfs/dbraw/zinc/46/14/33/1018461433.db2.gz UPGAXBDXYWFGAQ-LJQANCHMSA-N 1 2 326.440 3.507 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000549350360 1018461440 /nfs/dbraw/zinc/46/14/40/1018461440.db2.gz UPGAXBDXYWFGAQ-LJQANCHMSA-N 1 2 326.440 3.507 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000606582207 1032766476 /nfs/dbraw/zinc/76/64/76/1032766476.db2.gz HDTILOIWNAQXJO-GOSISDBHSA-N 1 2 334.423 3.963 20 0 EHADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582831 1032768269 /nfs/dbraw/zinc/76/82/69/1032768269.db2.gz FXIVIWGDENKVNW-LLVKDONJSA-N 1 2 330.338 3.837 20 0 EHADLO CC(C)C[C@H](c1nc(COc2ccccc2F)no1)n1cc[nH+]c1 ZINC000924089637 1018503016 /nfs/dbraw/zinc/50/30/16/1018503016.db2.gz ADBNPZWCPJTXJH-CQSZACIVSA-N 1 2 330.363 3.620 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCS[C@H](c2ccccc2)C1 ZINC000606581702 1032768558 /nfs/dbraw/zinc/76/85/58/1032768558.db2.gz NJYSDRFCEBYOND-INIZCTEOSA-N 1 2 338.436 3.656 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132294 1018522815 /nfs/dbraw/zinc/52/28/15/1018522815.db2.gz TUOLWQCOLQRGEJ-SJLPKXTDSA-N 1 2 343.471 3.967 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132294 1018522823 /nfs/dbraw/zinc/52/28/23/1018522823.db2.gz TUOLWQCOLQRGEJ-SJLPKXTDSA-N 1 2 343.471 3.967 20 0 EHADLO Cc1cncc(C[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000340583736 1018589326 /nfs/dbraw/zinc/58/93/26/1018589326.db2.gz JXZWXIOFHVBJTF-ZDUSSCGKSA-N 1 2 326.375 3.738 20 0 EHADLO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000683806671 1018644000 /nfs/dbraw/zinc/64/40/00/1018644000.db2.gz KSRUWMUEBFBQBS-MJGOQNOKSA-N 1 2 347.462 3.898 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)no1 ZINC000375761388 1032789328 /nfs/dbraw/zinc/78/93/28/1032789328.db2.gz GHQCTILHEHBCRD-JTQLQIEISA-N 1 2 342.262 3.582 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)no1 ZINC000375761388 1032789339 /nfs/dbraw/zinc/78/93/39/1032789339.db2.gz GHQCTILHEHBCRD-JTQLQIEISA-N 1 2 342.262 3.582 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000052182521 1018858845 /nfs/dbraw/zinc/85/88/45/1018858845.db2.gz KTAGPHQDBRZCLP-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000052182521 1018858861 /nfs/dbraw/zinc/85/88/61/1018858861.db2.gz KTAGPHQDBRZCLP-UHFFFAOYSA-N 1 2 338.451 3.861 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCSC[C@H]3C3CCC3)n2)c1 ZINC000419361545 1018874631 /nfs/dbraw/zinc/87/46/31/1018874631.db2.gz ARWHNSLIVKDURN-INIZCTEOSA-N 1 2 347.459 3.517 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCSC[C@H]3C3CCC3)n2)c1 ZINC000419361545 1018874646 /nfs/dbraw/zinc/87/46/46/1018874646.db2.gz ARWHNSLIVKDURN-INIZCTEOSA-N 1 2 347.459 3.517 20 0 EHADLO FC(F)(c1noc(Cn2cc[nH+]c2)n1)c1ccc(Cl)c(Cl)c1 ZINC000580258658 1018879637 /nfs/dbraw/zinc/87/96/37/1018879637.db2.gz QBTQECRBDHMRGP-UHFFFAOYSA-N 1 2 345.136 3.761 20 0 EHADLO COCc1ccccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255290886 1018886890 /nfs/dbraw/zinc/88/68/90/1018886890.db2.gz JTUUEZRGXXLCPE-FLIBITNWSA-N 1 2 333.391 3.671 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@H]3C)n2)cc1 ZINC000528771880 1032793767 /nfs/dbraw/zinc/79/37/67/1032793767.db2.gz YZZWXRXZUCZEHA-GFCCVEGCSA-N 1 2 337.370 3.755 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CCC(F)(F)C[C@H]3C)n2)cc1 ZINC000528771880 1032793779 /nfs/dbraw/zinc/79/37/79/1032793779.db2.gz YZZWXRXZUCZEHA-GFCCVEGCSA-N 1 2 337.370 3.755 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000340642752 1019055752 /nfs/dbraw/zinc/05/57/52/1019055752.db2.gz QGJYVRJNYDQVKQ-HUUCEWRRSA-N 1 2 329.469 3.605 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCCC[C@@H]1c1ccco1 ZINC000345095691 1019094373 /nfs/dbraw/zinc/09/43/73/1019094373.db2.gz YVUZKMBONZEUNI-IXDOHACOSA-N 1 2 339.439 3.501 20 0 EHADLO CC[C@@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000728982600 1019142254 /nfs/dbraw/zinc/14/22/54/1019142254.db2.gz IPUAGEZMOCHPIJ-WMZOPIPTSA-N 1 2 327.472 3.998 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000749796143 1019220503 /nfs/dbraw/zinc/22/05/03/1019220503.db2.gz DJVXNIDTNBZUCC-LLVKDONJSA-N 1 2 338.300 3.809 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000749796143 1019220516 /nfs/dbraw/zinc/22/05/16/1019220516.db2.gz DJVXNIDTNBZUCC-LLVKDONJSA-N 1 2 338.300 3.809 20 0 EHADLO Cc1ccc(C)c(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000340681674 1019248118 /nfs/dbraw/zinc/24/81/18/1019248118.db2.gz MQWDALZKGOLUNE-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc3c(c2)CCC3)c1C ZINC000051584872 1019259829 /nfs/dbraw/zinc/25/98/29/1019259829.db2.gz LVLGTQLEWMEKQM-UHFFFAOYSA-N 1 2 325.412 3.517 20 0 EHADLO O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052910152 1019305265 /nfs/dbraw/zinc/30/52/65/1019305265.db2.gz XAYKTJOCGYCRCF-UHFFFAOYSA-N 1 2 344.374 3.709 20 0 EHADLO Cc1cccn2cc(CCNc3nccc(Oc4ccccc4)n3)[nH+]c12 ZINC000683931959 1019325228 /nfs/dbraw/zinc/32/52/28/1019325228.db2.gz FXISUBACIZZIEQ-UHFFFAOYSA-N 1 2 345.406 3.880 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@]1(C)CC1(Cl)Cl ZINC000829058461 1019331194 /nfs/dbraw/zinc/33/11/94/1019331194.db2.gz IRRBRLRIGJSKAU-CQSZACIVSA-N 1 2 342.274 3.967 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C/c2cccs2)c1)[NH+]1CCOCC1 ZINC000729408184 1019349131 /nfs/dbraw/zinc/34/91/31/1019349131.db2.gz BBJDLLYYBPZWFI-MVGZEHJDSA-N 1 2 342.464 3.793 20 0 EHADLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528790856 1032829092 /nfs/dbraw/zinc/82/90/92/1032829092.db2.gz ZCBBYVUIOKOVIA-MRXNPFEDSA-N 1 2 347.846 3.960 20 0 EHADLO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528790856 1032829111 /nfs/dbraw/zinc/82/91/11/1032829111.db2.gz ZCBBYVUIOKOVIA-MRXNPFEDSA-N 1 2 347.846 3.960 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccc3ccccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000255544254 1019422344 /nfs/dbraw/zinc/42/23/44/1019422344.db2.gz YFJLCGXPAGDXBW-JKUVKPIWSA-N 1 2 346.434 3.554 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449572808 1032829821 /nfs/dbraw/zinc/82/98/21/1032829821.db2.gz PJTSCUXBOSYZMY-HSZRJFAPSA-N 1 2 337.529 3.845 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449572808 1032829833 /nfs/dbraw/zinc/82/98/33/1032829833.db2.gz PJTSCUXBOSYZMY-HSZRJFAPSA-N 1 2 337.529 3.845 20 0 EHADLO Cc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000576640581 1019447385 /nfs/dbraw/zinc/44/73/85/1019447385.db2.gz OBTXODWZDMPAJE-HNNXBMFYSA-N 1 2 337.427 3.584 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000891291280 1019517877 /nfs/dbraw/zinc/51/78/77/1019517877.db2.gz IDYZOXKEAYLXIQ-INIZCTEOSA-N 1 2 325.456 3.611 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000891291280 1019517894 /nfs/dbraw/zinc/51/78/94/1019517894.db2.gz IDYZOXKEAYLXIQ-INIZCTEOSA-N 1 2 325.456 3.611 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000513338846 1019541320 /nfs/dbraw/zinc/54/13/20/1019541320.db2.gz BHOBUZVCXBYEDF-HLIPFELVSA-N 1 2 344.499 3.628 20 0 EHADLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000513338846 1019541330 /nfs/dbraw/zinc/54/13/30/1019541330.db2.gz BHOBUZVCXBYEDF-HLIPFELVSA-N 1 2 344.499 3.628 20 0 EHADLO CCCCOc1ccc(C(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000548108320 1019583645 /nfs/dbraw/zinc/58/36/45/1019583645.db2.gz BCALXGYRUROVBV-UHFFFAOYSA-N 1 2 349.862 3.926 20 0 EHADLO C[C@@](O)(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000580543623 1019589958 /nfs/dbraw/zinc/58/99/58/1019589958.db2.gz LZXJXDYRMHYZGV-HUUCEWRRSA-N 1 2 344.764 3.727 20 0 EHADLO C/C(=C/c1ccccc1)CN(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000433805054 1019649195 /nfs/dbraw/zinc/64/91/95/1019649195.db2.gz UBARIWLGTZCWMX-VBKFSLOCSA-N 1 2 340.496 3.570 20 0 EHADLO C/C(=C/c1ccccc1)CN(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000433805054 1019649207 /nfs/dbraw/zinc/64/92/07/1019649207.db2.gz UBARIWLGTZCWMX-VBKFSLOCSA-N 1 2 340.496 3.570 20 0 EHADLO Cn1c2ccc(Nc3cc(-n4ccnc4)ncn3)cc2[nH+]c1C(C)(C)C ZINC000089649377 1019770790 /nfs/dbraw/zinc/77/07/90/1019770790.db2.gz QHZPPFNPUMJCQJ-UHFFFAOYSA-N 1 2 347.426 3.590 20 0 EHADLO Cc1cccn2cc(Cc3nc(-c4cnccc4C(C)(C)C)no3)[nH+]c12 ZINC000580705194 1019875280 /nfs/dbraw/zinc/87/52/80/1019875280.db2.gz KJBUIQLKXOELFB-UHFFFAOYSA-N 1 2 347.422 3.976 20 0 EHADLO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000047992859 1019878007 /nfs/dbraw/zinc/87/80/07/1019878007.db2.gz BCEFPIRUISEQFI-QGZVFWFLSA-N 1 2 330.428 3.554 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000656275583 1019884022 /nfs/dbraw/zinc/88/40/22/1019884022.db2.gz OMQGMHLBMFHZNY-UHFFFAOYSA-N 1 2 335.407 3.610 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000656275583 1019884041 /nfs/dbraw/zinc/88/40/41/1019884041.db2.gz OMQGMHLBMFHZNY-UHFFFAOYSA-N 1 2 335.407 3.610 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)c(C(F)(F)F)c1 ZINC000924908089 1019916019 /nfs/dbraw/zinc/91/60/19/1019916019.db2.gz FSVYSRASGCXTHU-LLVKDONJSA-N 1 2 342.365 3.737 20 0 EHADLO CCCOc1ccc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)cc1OC ZINC000923773159 1019922634 /nfs/dbraw/zinc/92/26/34/1019922634.db2.gz FHTMYNWTZPRZMP-CHWSQXEVSA-N 1 2 340.383 3.528 20 0 EHADLO Cc1csc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000048008481 1019924494 /nfs/dbraw/zinc/92/44/94/1019924494.db2.gz PCQCWDFUANHBGI-UHFFFAOYSA-N 1 2 341.402 3.793 20 0 EHADLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506250 1019948792 /nfs/dbraw/zinc/94/87/92/1019948792.db2.gz VYZBUFZUAQNLAQ-OXJNMPFZSA-N 1 2 343.471 3.604 20 0 EHADLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nc(Cc3ccccc3C)no2)C1(C)C ZINC000430506250 1019948804 /nfs/dbraw/zinc/94/88/04/1019948804.db2.gz VYZBUFZUAQNLAQ-OXJNMPFZSA-N 1 2 343.471 3.604 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)s1 ZINC000345138640 1019967376 /nfs/dbraw/zinc/96/73/76/1019967376.db2.gz YHNSPNIDWCPTGI-MRXNPFEDSA-N 1 2 347.459 3.526 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)s1 ZINC000345138640 1019967385 /nfs/dbraw/zinc/96/73/85/1019967385.db2.gz YHNSPNIDWCPTGI-MRXNPFEDSA-N 1 2 347.459 3.526 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345126901 1019982344 /nfs/dbraw/zinc/98/23/44/1019982344.db2.gz NZSOBLSYVTUDSO-SFHVURJKSA-N 1 2 348.406 3.762 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000345168004 1020003227 /nfs/dbraw/zinc/00/32/27/1020003227.db2.gz DXFZQNINODEEBP-NCOADZHNSA-N 1 2 330.472 3.671 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000345168004 1020003244 /nfs/dbraw/zinc/00/32/44/1020003244.db2.gz DXFZQNINODEEBP-NCOADZHNSA-N 1 2 330.472 3.671 20 0 EHADLO Fc1ccc2oc(N3CCC(CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000340799580 1020012282 /nfs/dbraw/zinc/01/22/82/1020012282.db2.gz OHDVLXGAVFSJLI-UHFFFAOYSA-N 1 2 328.391 3.860 20 0 EHADLO O=C(c1cc[nH]c1C1CCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000345177368 1020027227 /nfs/dbraw/zinc/02/72/27/1020027227.db2.gz HUHYZQFUWYDHES-YVMONPNESA-N 1 2 349.478 3.753 20 0 EHADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000059260750 1020055028 /nfs/dbraw/zinc/05/50/28/1020055028.db2.gz XZJPUGVJAYLQIO-INIZCTEOSA-N 1 2 338.455 3.632 20 0 EHADLO CC(F)(F)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000345293810 1020130771 /nfs/dbraw/zinc/13/07/71/1020130771.db2.gz ALVVFKUGNOFBCT-UHFFFAOYSA-N 1 2 341.361 3.914 20 0 EHADLO O=C(Nc1ccc(F)c(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127242590 1020177786 /nfs/dbraw/zinc/17/77/86/1020177786.db2.gz GQAYULZWHKNQEU-CYBMUJFWSA-N 1 2 335.766 3.559 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580900981 1020205036 /nfs/dbraw/zinc/20/50/36/1020205036.db2.gz GITMKKWBAKJMTJ-HOTGVXAUSA-N 1 2 345.512 3.892 20 0 EHADLO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580900981 1020205043 /nfs/dbraw/zinc/20/50/43/1020205043.db2.gz GITMKKWBAKJMTJ-HOTGVXAUSA-N 1 2 345.512 3.892 20 0 EHADLO CC(C)c1occc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000280223204 1020206379 /nfs/dbraw/zinc/20/63/79/1020206379.db2.gz HHGNCPXGLGSBHZ-DLBZAZTESA-N 1 2 348.393 3.856 20 0 EHADLO CC(C)c1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000280223204 1020206386 /nfs/dbraw/zinc/20/63/86/1020206386.db2.gz HHGNCPXGLGSBHZ-DLBZAZTESA-N 1 2 348.393 3.856 20 0 EHADLO C[C@H](CC(C)(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345450011 1020263006 /nfs/dbraw/zinc/26/30/06/1020263006.db2.gz OYGODCFBPKFTFR-OAHLLOKOSA-N 1 2 331.504 3.998 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1n[nH]c2c1CCCCC2 ZINC000280319733 1020286681 /nfs/dbraw/zinc/28/66/81/1020286681.db2.gz UUHHUHZBTDPEFC-UHFFFAOYSA-N 1 2 335.411 3.629 20 0 EHADLO CC[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCC(C)CC1 ZINC000345460262 1020297849 /nfs/dbraw/zinc/29/78/49/1020297849.db2.gz PKIZOICQZYRTIZ-YVZJPGBNSA-N 1 2 330.472 3.914 20 0 EHADLO C[C@H]1CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000580958265 1020305452 /nfs/dbraw/zinc/30/54/52/1020305452.db2.gz ZXAYKRUXPCUOLZ-JCNLHEQBSA-N 1 2 329.488 3.752 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000564440399 1020329744 /nfs/dbraw/zinc/32/97/44/1020329744.db2.gz RATPNJXNHKNRER-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000564440399 1020329756 /nfs/dbraw/zinc/32/97/56/1020329756.db2.gz RATPNJXNHKNRER-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)c1ccn(C)n1 ZINC000581022947 1020364136 /nfs/dbraw/zinc/36/41/36/1020364136.db2.gz PGPZWONBTFTMAN-SNVBAGLBSA-N 1 2 334.217 3.780 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000345632593 1020404408 /nfs/dbraw/zinc/40/44/08/1020404408.db2.gz QSLNAUUGWOIKRC-UHFFFAOYSA-N 1 2 326.227 3.653 20 0 EHADLO C[C@H]1CCN(C(=O)CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000280470703 1020410748 /nfs/dbraw/zinc/41/07/48/1020410748.db2.gz UBQNYXGTRRFORQ-FUHWJXTLSA-N 1 2 343.496 3.616 20 0 EHADLO O=C(/C=C/Sc1cc(F)ccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280537642 1020466035 /nfs/dbraw/zinc/46/60/35/1020466035.db2.gz CRFZFQRGXFAPRC-LHXVZLOVSA-N 1 2 349.406 3.700 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)s1 ZINC000280599042 1020505678 /nfs/dbraw/zinc/50/56/78/1020505678.db2.gz JCMOVFXKMNSOIQ-CYBMUJFWSA-N 1 2 339.468 3.860 20 0 EHADLO CCC(CC)c1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000030647145 1020639879 /nfs/dbraw/zinc/63/98/79/1020639879.db2.gz OWLVMMOETSXPBI-UHFFFAOYSA-N 1 2 341.440 3.880 20 0 EHADLO C[C@]1(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1(F)F ZINC000656473224 1020683421 /nfs/dbraw/zinc/68/34/21/1020683421.db2.gz KKSRYUIPSLREHB-INIZCTEOSA-N 1 2 329.354 3.663 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)cc2[nH+]1 ZINC000340976930 1020735024 /nfs/dbraw/zinc/73/50/24/1020735024.db2.gz SDOFFPUWCJICEM-MEDUHNTESA-N 1 2 348.406 3.718 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(Cl)cc3cccnc31)C2 ZINC000933261913 1020833679 /nfs/dbraw/zinc/83/36/79/1020833679.db2.gz KCAMSQUJWDYUKI-UHFFFAOYSA-N 1 2 326.831 3.663 20 0 EHADLO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000389779640 1020849082 /nfs/dbraw/zinc/84/90/82/1020849082.db2.gz GTMHGOJCNFXEFK-YOEHRIQHSA-N 1 2 330.859 3.656 20 0 EHADLO Cc1c[nH+]c(CNC(c2ccc(F)cc2)c2ccc(F)cc2)n1C ZINC000341026774 1020871350 /nfs/dbraw/zinc/87/13/50/1020871350.db2.gz SSZDWRHJKURSKT-UHFFFAOYSA-N 1 2 327.378 3.886 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)ccc1C ZINC000348666692 1020874259 /nfs/dbraw/zinc/87/42/59/1020874259.db2.gz BPYKYGSXTUIJFI-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)ccc1C ZINC000348666692 1020874265 /nfs/dbraw/zinc/87/42/65/1020874265.db2.gz BPYKYGSXTUIJFI-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO C[C@@H](CCc1ccco1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341040378 1020896529 /nfs/dbraw/zinc/89/65/29/1020896529.db2.gz NWEYYCUOPWQJLP-YJBOKZPZSA-N 1 2 337.423 3.662 20 0 EHADLO CC(C)c1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000548186532 1021051381 /nfs/dbraw/zinc/05/13/81/1021051381.db2.gz BELZBHSEGDDMJT-APWZRJJASA-N 1 2 340.471 3.799 20 0 EHADLO FC[C@@H]1CCCN1c1cc(N2CCC[C@H]2CF)c2ccncc2[nH+]1 ZINC000292683509 1021072514 /nfs/dbraw/zinc/07/25/14/1021072514.db2.gz DWYGSYRDWGNZSV-KBPBESRZSA-N 1 2 332.398 3.506 20 0 EHADLO COc1cccc([C@H](C)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)c1 ZINC000341204902 1021093934 /nfs/dbraw/zinc/09/39/34/1021093934.db2.gz GBTUKFNIDDBKKP-LBPRGKRZSA-N 1 2 349.390 3.941 20 0 EHADLO C[C@H](NC(=O)c1ccn(C)c1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000341218309 1021115933 /nfs/dbraw/zinc/11/59/33/1021115933.db2.gz XDHZLGVPHGGOSA-HNNXBMFYSA-N 1 2 348.450 3.969 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)on1 ZINC000341234292 1021144988 /nfs/dbraw/zinc/14/49/88/1021144988.db2.gz DHKDJJWDYVMKNE-HNNXBMFYSA-N 1 2 344.459 3.717 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000656681651 1021163297 /nfs/dbraw/zinc/16/32/97/1021163297.db2.gz JEURUYWVSOCKLJ-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1)c1cscn1 ZINC000656682125 1021164527 /nfs/dbraw/zinc/16/45/27/1021164527.db2.gz PXUHXXFQNDPETQ-UTUOFQBUSA-N 1 2 337.876 3.713 20 0 EHADLO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000341244903 1021170397 /nfs/dbraw/zinc/17/03/97/1021170397.db2.gz XPXSCTRMUBDMQP-OAHLLOKOSA-N 1 2 331.485 3.767 20 0 EHADLO FC(F)C1C[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000656690004 1021177899 /nfs/dbraw/zinc/17/78/99/1021177899.db2.gz FIQBNHPWQHXCFR-UHFFFAOYSA-N 1 2 345.315 3.647 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000341260070 1021222550 /nfs/dbraw/zinc/22/25/50/1021222550.db2.gz MKZYAXUVDSVSCN-OALUTQOASA-N 1 2 331.419 3.567 20 0 EHADLO c1cc2n(c1)CC[N@@H+](Cc1cccc3c1OCCO3)[C@H]2c1ccccc1 ZINC000507373312 1021226896 /nfs/dbraw/zinc/22/68/96/1021226896.db2.gz CMBJZJKVLTVEFQ-NRFANRHFSA-N 1 2 346.430 3.865 20 0 EHADLO c1cc2n(c1)CC[N@H+](Cc1cccc3c1OCCO3)[C@H]2c1ccccc1 ZINC000507373312 1021226902 /nfs/dbraw/zinc/22/69/02/1021226902.db2.gz CMBJZJKVLTVEFQ-NRFANRHFSA-N 1 2 346.430 3.865 20 0 EHADLO CSc1ccc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000341268101 1021238517 /nfs/dbraw/zinc/23/85/17/1021238517.db2.gz CVBZJDQBGYANMV-ZDUSSCGKSA-N 1 2 346.525 3.925 20 0 EHADLO CSc1ccc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000341268101 1021238528 /nfs/dbraw/zinc/23/85/28/1021238528.db2.gz CVBZJDQBGYANMV-ZDUSSCGKSA-N 1 2 346.525 3.925 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341273790 1021265974 /nfs/dbraw/zinc/26/59/74/1021265974.db2.gz JWKGNVPAYPGNAQ-QGZVFWFLSA-N 1 2 344.434 3.779 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3Cc4c[nH]nc4CC(C)(C)C3)o2)cc1 ZINC000664869848 1021284586 /nfs/dbraw/zinc/28/45/86/1021284586.db2.gz YZBFTLRYVIUBEG-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3Cc4c[nH]nc4CC(C)(C)C3)o2)cc1 ZINC000664869848 1021284596 /nfs/dbraw/zinc/28/45/96/1021284596.db2.gz YZBFTLRYVIUBEG-UHFFFAOYSA-N 1 2 336.439 3.958 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000593539162 1032969974 /nfs/dbraw/zinc/96/99/74/1032969974.db2.gz GFOUMOSQOIRVFA-SJLPKXTDSA-N 1 2 326.444 3.608 20 0 EHADLO CC(C)=CC[N@H+](CCCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000439316521 1021341381 /nfs/dbraw/zinc/34/13/81/1021341381.db2.gz LDQNINQTTUAYPJ-UHFFFAOYSA-N 1 2 329.893 3.543 20 0 EHADLO CC(C)=CC[N@@H+](CCCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000439316521 1021341399 /nfs/dbraw/zinc/34/13/99/1021341399.db2.gz LDQNINQTTUAYPJ-UHFFFAOYSA-N 1 2 329.893 3.543 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000505895803 1021345323 /nfs/dbraw/zinc/34/53/23/1021345323.db2.gz ZMVALAPTIXXCRC-ICBNADEASA-N 1 2 341.499 3.629 20 0 EHADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1c(F)ccc(O)c1F ZINC000507547967 1021349356 /nfs/dbraw/zinc/34/93/56/1021349356.db2.gz HXCKKMIWPHAFNV-UHFFFAOYSA-N 1 2 325.330 3.710 20 0 EHADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1c(F)ccc(O)c1F ZINC000507547967 1021349375 /nfs/dbraw/zinc/34/93/75/1021349375.db2.gz HXCKKMIWPHAFNV-UHFFFAOYSA-N 1 2 325.330 3.710 20 0 EHADLO CCCCC[C@H](C)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270140478 1021359631 /nfs/dbraw/zinc/35/96/31/1021359631.db2.gz KYRXKDCRYYEPHV-AWEZNQCLSA-N 1 2 334.426 3.832 20 0 EHADLO CCCCC[C@H](C)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270140478 1021359647 /nfs/dbraw/zinc/35/96/47/1021359647.db2.gz KYRXKDCRYYEPHV-AWEZNQCLSA-N 1 2 334.426 3.832 20 0 EHADLO CC1(C)CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000507566101 1021366491 /nfs/dbraw/zinc/36/64/91/1021366491.db2.gz LCRLBNRQYZCGJT-CYBMUJFWSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1cccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000516383667 1021374178 /nfs/dbraw/zinc/37/41/78/1021374178.db2.gz GMZUQMKMZSQBDY-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO COCC[N@H+](Cc1cncs1)Cc1cc(Br)cs1 ZINC000426375722 1021412768 /nfs/dbraw/zinc/41/27/68/1021412768.db2.gz GTPOFIMKQRFUNP-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO COCC[N@@H+](Cc1cncs1)Cc1cc(Br)cs1 ZINC000426375722 1021412779 /nfs/dbraw/zinc/41/27/79/1021412779.db2.gz GTPOFIMKQRFUNP-UHFFFAOYSA-N 1 2 347.303 3.616 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1C ZINC000341319361 1021420202 /nfs/dbraw/zinc/42/02/02/1021420202.db2.gz VJCLOBMLQQJALL-XJKSGUPXSA-N 1 2 331.847 3.877 20 0 EHADLO Cc1cccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)c1Br ZINC000909412257 1021457234 /nfs/dbraw/zinc/45/72/34/1021457234.db2.gz KOGZTSFQUOFQKG-GFCCVEGCSA-N 1 2 337.217 3.649 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2)ccc1SC ZINC000507711860 1021465278 /nfs/dbraw/zinc/46/52/78/1021465278.db2.gz WNJKUJIVAWWMGQ-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2)ccc1SC ZINC000507711860 1021465281 /nfs/dbraw/zinc/46/52/81/1021465281.db2.gz WNJKUJIVAWWMGQ-UHFFFAOYSA-N 1 2 344.480 3.796 20 0 EHADLO Cc1cccc(COc2ccc([C@H](C)NC(=O)Cc3c[nH]c[nH+]3)cc2)c1 ZINC001143565976 1021477813 /nfs/dbraw/zinc/47/78/13/1021477813.db2.gz SRFHKLVETGZMFJ-INIZCTEOSA-N 1 2 349.434 3.717 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@@H](c3ccccc3)c3cccnc3)cn2c1 ZINC000341346911 1021482069 /nfs/dbraw/zinc/48/20/69/1021482069.db2.gz GRRVYUOQYAVYKY-NRFANRHFSA-N 1 2 328.419 3.917 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1F ZINC000579009619 1021490200 /nfs/dbraw/zinc/49/02/00/1021490200.db2.gz CJXKJLMFSLGGOC-SJCJKPOMSA-N 1 2 349.837 3.752 20 0 EHADLO Cn1c[nH+]cc1CSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000439540172 1021526911 /nfs/dbraw/zinc/52/69/11/1021526911.db2.gz ICKCEJURYBIJJW-UHFFFAOYSA-N 1 2 340.239 3.804 20 0 EHADLO CC[C@@H](C)n1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1 ZINC000439547512 1021534534 /nfs/dbraw/zinc/53/45/34/1021534534.db2.gz WVPUOIOTZNQSEE-CYBMUJFWSA-N 1 2 327.457 3.942 20 0 EHADLO Cn1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc2ccccc21 ZINC000516542039 1021538807 /nfs/dbraw/zinc/53/88/07/1021538807.db2.gz VXZWUNDRQAMOPU-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO O=C(CCC(F)F)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000684389818 1021541489 /nfs/dbraw/zinc/54/14/89/1021541489.db2.gz WBIOPPJPVBVYPS-CYBMUJFWSA-N 1 2 348.796 3.778 20 0 EHADLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000449658011 1032987966 /nfs/dbraw/zinc/98/79/66/1032987966.db2.gz RTIKSENVHLZHAF-RHSMWYFYSA-N 1 2 338.442 3.665 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000509610636 1021556834 /nfs/dbraw/zinc/55/68/34/1021556834.db2.gz WQVUFILADMIQSR-WFTPILKQSA-N 1 2 333.439 3.826 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccccc3)c[nH]1)CCO2 ZINC000519624520 1021579212 /nfs/dbraw/zinc/57/92/12/1021579212.db2.gz YKHGZMAUANZEAU-KRWDZBQOSA-N 1 2 335.407 3.699 20 0 EHADLO COCc1cc(Cl)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000425732996 1021601906 /nfs/dbraw/zinc/60/19/06/1021601906.db2.gz IWFLHUZCDMZMRW-UHFFFAOYSA-N 1 2 348.834 3.552 20 0 EHADLO CCCCCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccn2)cc1 ZINC000297430510 1021602745 /nfs/dbraw/zinc/60/27/45/1021602745.db2.gz VGMVBWPRRAKRDB-KXBFYZLASA-N 1 2 341.455 3.528 20 0 EHADLO CCOC(=O)c1c(C)onc1COc1cc(CC)[nH+]c2ccccc21 ZINC000518841667 1021619868 /nfs/dbraw/zinc/61/98/68/1021619868.db2.gz WUPFQFQHYPDQGP-UHFFFAOYSA-N 1 2 340.379 3.849 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000516646963 1021624923 /nfs/dbraw/zinc/62/49/23/1021624923.db2.gz AIJMGHHCRZYAAY-UHFFFAOYSA-N 1 2 347.397 3.801 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3C(C)C)cn2c1 ZINC000139053389 1033000123 /nfs/dbraw/zinc/00/01/23/1033000123.db2.gz GWFASZFOZAXJQH-INIZCTEOSA-N 1 2 331.485 3.523 20 0 EHADLO O=C(NC1CCCCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516765455 1021712023 /nfs/dbraw/zinc/71/20/23/1021712023.db2.gz DNIDJLADYJQXQH-SFHVURJKSA-N 1 2 332.513 3.616 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000157926733 1021732643 /nfs/dbraw/zinc/73/26/43/1021732643.db2.gz DRHJNBLWAAFERT-QGZVFWFLSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000157926733 1021732655 /nfs/dbraw/zinc/73/26/55/1021732655.db2.gz DRHJNBLWAAFERT-QGZVFWFLSA-N 1 2 349.434 3.659 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1ccc(F)cc1F)CC3 ZINC000729480629 1021741625 /nfs/dbraw/zinc/74/16/25/1021741625.db2.gz KEDWPQWFSJBTHK-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CC3 ZINC000729480629 1021741636 /nfs/dbraw/zinc/74/16/36/1021741636.db2.gz KEDWPQWFSJBTHK-HXUWFJFHSA-N 1 2 342.389 3.846 20 0 EHADLO Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437355167 1021751506 /nfs/dbraw/zinc/75/15/06/1021751506.db2.gz UIBYQOBLRDVZFQ-LRDDRELGSA-N 1 2 341.860 3.505 20 0 EHADLO CCc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c2c(n1)onc2C(C)C ZINC000516853202 1021777356 /nfs/dbraw/zinc/77/73/56/1021777356.db2.gz SJUWJBREQSJHGX-UHFFFAOYSA-N 1 2 349.394 3.809 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2CCCC2)c(C)c1 ZINC000440808640 1021800086 /nfs/dbraw/zinc/80/00/86/1021800086.db2.gz QVNTXFSSMKMQNE-LJQANCHMSA-N 1 2 340.471 3.731 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000439965309 1021848674 /nfs/dbraw/zinc/84/86/74/1021848674.db2.gz GDEMWYHFYFGASF-AWEZNQCLSA-N 1 2 325.437 3.842 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@](C)(CC)C(F)(F)F ZINC000933509797 1021916100 /nfs/dbraw/zinc/91/61/00/1021916100.db2.gz BPDXKWRYKMYMHI-HNNXBMFYSA-N 1 2 348.413 3.598 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C)c1ccc(C)o1 ZINC000156397201 1021919778 /nfs/dbraw/zinc/91/97/78/1021919778.db2.gz UZRFKLGIDWTSSF-YOEHRIQHSA-N 1 2 340.427 3.515 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000891555855 1021921754 /nfs/dbraw/zinc/92/17/54/1021921754.db2.gz UPCVBBOTGBPAGH-LJQANCHMSA-N 1 2 328.456 3.918 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000441006204 1021923999 /nfs/dbraw/zinc/92/39/99/1021923999.db2.gz GRMSOEIHNQJBQZ-KRWDZBQOSA-N 1 2 346.519 3.956 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441040754 1021938491 /nfs/dbraw/zinc/93/84/91/1021938491.db2.gz BCPULRFEKSHGFD-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441040754 1021938498 /nfs/dbraw/zinc/93/84/98/1021938498.db2.gz BCPULRFEKSHGFD-CYBMUJFWSA-N 1 2 346.833 3.542 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441047222 1021954158 /nfs/dbraw/zinc/95/41/58/1021954158.db2.gz CKGZKNSVTJXWAH-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000441047222 1021954162 /nfs/dbraw/zinc/95/41/62/1021954162.db2.gz CKGZKNSVTJXWAH-UHFFFAOYSA-N 1 2 340.442 3.621 20 0 EHADLO Cc1cccc(S(=O)(=O)CCCSc2[nH+]cc3ccccn32)c1 ZINC000164837037 1021970162 /nfs/dbraw/zinc/97/01/62/1021970162.db2.gz XGNLAWYDFDAOAL-UHFFFAOYSA-N 1 2 346.477 3.599 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000520175052 1021990626 /nfs/dbraw/zinc/99/06/26/1021990626.db2.gz RESYBRPEMNCNSV-UHFFFAOYSA-N 1 2 326.444 3.904 20 0 EHADLO CCCn1c2ccccc2n(Cc2c[nH+]cn2Cc2ccccc2)c1=O ZINC000437635382 1022019897 /nfs/dbraw/zinc/01/98/97/1022019897.db2.gz NLHZGOBOZYABRV-UHFFFAOYSA-N 1 2 346.434 3.506 20 0 EHADLO Cc1c(F)cccc1-c1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)o1 ZINC000506087423 1022025996 /nfs/dbraw/zinc/02/59/96/1022025996.db2.gz TXLTWVMRCPFYRF-UHFFFAOYSA-N 1 2 344.430 3.694 20 0 EHADLO Cc1cc(N[C@@H]2CCc3c2cccc3Br)nc(C2CC2)[nH+]1 ZINC000341513069 1022051647 /nfs/dbraw/zinc/05/16/47/1022051647.db2.gz UCMHIGQQHYKBOO-OAHLLOKOSA-N 1 2 344.256 3.946 20 0 EHADLO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000517151829 1022076730 /nfs/dbraw/zinc/07/67/30/1022076730.db2.gz ISIPJYSMMYQMRF-OAHLLOKOSA-N 1 2 327.428 3.509 20 0 EHADLO COc1ncncc1C[NH2+]Cc1ccc(C)cc1OCCC(C)C ZINC000647191590 1022134274 /nfs/dbraw/zinc/13/42/74/1022134274.db2.gz UPRYLQSRYPYDMX-UHFFFAOYSA-N 1 2 329.444 3.508 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(C)c(Cl)cc3C)[nH+]c12 ZINC000684452357 1022139829 /nfs/dbraw/zinc/13/98/29/1022139829.db2.gz HWTGHXMVKTWUGC-UHFFFAOYSA-N 1 2 341.842 3.885 20 0 EHADLO COc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000548300246 1022161681 /nfs/dbraw/zinc/16/16/81/1022161681.db2.gz KCJHKLZVPKQDPN-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO COc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000548300246 1022161694 /nfs/dbraw/zinc/16/16/94/1022161694.db2.gz KCJHKLZVPKQDPN-LJQANCHMSA-N 1 2 333.378 3.589 20 0 EHADLO CCCC[C@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000441363003 1022186771 /nfs/dbraw/zinc/18/67/71/1022186771.db2.gz INUBRHMPTMWTNK-OALUTQOASA-N 1 2 343.471 3.563 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000548307542 1022211500 /nfs/dbraw/zinc/21/15/00/1022211500.db2.gz AIEDROZXYYWRMM-AMIZOPFISA-N 1 2 342.390 3.989 20 0 EHADLO CC(C)CC(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000083646292 1022227045 /nfs/dbraw/zinc/22/70/45/1022227045.db2.gz IFPAYSGXRZZIPD-UHFFFAOYSA-N 1 2 342.487 3.803 20 0 EHADLO CC(C)[C@H](CNC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000506159154 1022247369 /nfs/dbraw/zinc/24/73/69/1022247369.db2.gz FJONYTOKPQHEIO-KRWDZBQOSA-N 1 2 348.878 3.666 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cn2nccc2-c2cccnc2)[C@H](C)CO1 ZINC000172950766 1033041205 /nfs/dbraw/zinc/04/12/05/1033041205.db2.gz ATZXKWWUKGWSIE-DYESRHJHSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cn2nccc2-c2cccnc2)[C@H](C)CO1 ZINC000172950766 1033041218 /nfs/dbraw/zinc/04/12/18/1033041218.db2.gz ATZXKWWUKGWSIE-DYESRHJHSA-N 1 2 348.450 3.673 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000341562842 1022345145 /nfs/dbraw/zinc/34/51/45/1022345145.db2.gz KLRVURMQEDPPAU-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000341562842 1022345160 /nfs/dbraw/zinc/34/51/60/1022345160.db2.gz KLRVURMQEDPPAU-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000894470606 1022347449 /nfs/dbraw/zinc/34/74/49/1022347449.db2.gz NRFOFZPBJKIHTM-UYWPIULCSA-N 1 2 331.460 3.674 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(Cc2ccc(F)cc2)CC1 ZINC000438051055 1022349688 /nfs/dbraw/zinc/34/96/88/1022349688.db2.gz BEIWDHSUQCMTED-UHFFFAOYSA-N 1 2 335.382 3.973 20 0 EHADLO CCC[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000528906964 1033050232 /nfs/dbraw/zinc/05/02/32/1033050232.db2.gz NUGZOJDLNZJKRT-NVXWUHKLSA-N 1 2 345.874 3.973 20 0 EHADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000517556437 1022441893 /nfs/dbraw/zinc/44/18/93/1022441893.db2.gz OGKYTJSTVYGGAW-ZFWWWQNUSA-N 1 2 334.529 3.675 20 0 EHADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000517556437 1022441899 /nfs/dbraw/zinc/44/18/99/1022441899.db2.gz OGKYTJSTVYGGAW-ZFWWWQNUSA-N 1 2 334.529 3.675 20 0 EHADLO FC(F)(F)COc1cc(NCc2cnc(C3CC3)s2)cc[nH+]1 ZINC000519552757 1022460626 /nfs/dbraw/zinc/46/06/26/1022460626.db2.gz KFPLXYNCCBWTTA-UHFFFAOYSA-N 1 2 329.347 3.969 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)o1 ZINC000328677261 1022463825 /nfs/dbraw/zinc/46/38/25/1022463825.db2.gz ALTUMOSTGGTRLP-ZBEGNZNMSA-N 1 2 326.400 3.536 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)NCCCCn2cc[nH+]c2)c1C ZINC000548368293 1022543615 /nfs/dbraw/zinc/54/36/15/1022543615.db2.gz NMZXYILPXCWBAI-UHFFFAOYSA-N 1 2 337.423 3.970 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000438303906 1022544312 /nfs/dbraw/zinc/54/43/12/1022544312.db2.gz LAGUCBDMLDCQRD-UHFFFAOYSA-N 1 2 343.736 3.596 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2ccccc2F)c1C ZINC000051334694 1022549499 /nfs/dbraw/zinc/54/94/99/1022549499.db2.gz AYCRFOXWYRBZOR-AWEZNQCLSA-N 1 2 345.418 3.749 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000476223666 1033064003 /nfs/dbraw/zinc/06/40/03/1033064003.db2.gz MAUKOUACEBPBIX-IRXDYDNUSA-N 1 2 340.442 3.835 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2C2CCCC2)c1C ZINC000051334134 1022550100 /nfs/dbraw/zinc/55/01/00/1022550100.db2.gz KOFFAWNKAWBVFO-KRWDZBQOSA-N 1 2 331.460 3.571 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831484 1022552196 /nfs/dbraw/zinc/55/21/96/1022552196.db2.gz GNVZCNVLTYXLPB-GQIGUUNPSA-N 1 2 349.478 3.831 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831484 1022552204 /nfs/dbraw/zinc/55/22/04/1022552204.db2.gz GNVZCNVLTYXLPB-GQIGUUNPSA-N 1 2 349.478 3.831 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000086992280 1022555593 /nfs/dbraw/zinc/55/55/93/1022555593.db2.gz OEYILFQRPIJENJ-SFHVURJKSA-N 1 2 344.434 3.643 20 0 EHADLO CC(C)(C)OC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001167996173 1022575953 /nfs/dbraw/zinc/57/59/53/1022575953.db2.gz DERGDJNYMJCBPE-UHFFFAOYSA-N 1 2 338.879 3.825 20 0 EHADLO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCc2ncsc2C1 ZINC000438353413 1022600835 /nfs/dbraw/zinc/60/08/35/1022600835.db2.gz BEFRIWAMGFWMFG-UHFFFAOYSA-N 1 2 333.888 3.955 20 0 EHADLO Clc1cccc(N2CCCC2)c1C[N@H+]1CCc2ncsc2C1 ZINC000438353413 1022600841 /nfs/dbraw/zinc/60/08/41/1022600841.db2.gz BEFRIWAMGFWMFG-UHFFFAOYSA-N 1 2 333.888 3.955 20 0 EHADLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 ZINC000891770074 1022612030 /nfs/dbraw/zinc/61/20/30/1022612030.db2.gz GQALVOARTGMMAS-RKDXNWHRSA-N 1 2 331.256 3.851 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CCC1 ZINC000665001055 1022617592 /nfs/dbraw/zinc/61/75/92/1022617592.db2.gz QTHRRNSLQHFYHP-DAYGRLMNSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H](c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CCC1 ZINC000665001055 1022617598 /nfs/dbraw/zinc/61/75/98/1022617598.db2.gz QTHRRNSLQHFYHP-DAYGRLMNSA-N 1 2 341.455 3.935 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000517751648 1022622860 /nfs/dbraw/zinc/62/28/60/1022622860.db2.gz ZINIEMGJMRKXSA-ZWKOTPCHSA-N 1 2 338.455 3.519 20 0 EHADLO COc1ccccc1/C=C/C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000506852424 1022633890 /nfs/dbraw/zinc/63/38/90/1022633890.db2.gz WRWBOEADGBDQJS-SOFGYWHQSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000506852424 1022633899 /nfs/dbraw/zinc/63/38/99/1022633899.db2.gz WRWBOEADGBDQJS-SOFGYWHQSA-N 1 2 344.842 3.932 20 0 EHADLO CCN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)C1CCCCC1 ZINC000664835771 1022646662 /nfs/dbraw/zinc/64/66/62/1022646662.db2.gz GWBFKEQKBIUXOJ-LJQANCHMSA-N 1 2 329.488 3.646 20 0 EHADLO CCN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)C1CCCCC1 ZINC000664835771 1022646671 /nfs/dbraw/zinc/64/66/71/1022646671.db2.gz GWBFKEQKBIUXOJ-LJQANCHMSA-N 1 2 329.488 3.646 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C[C@H]3C=CCC3)n2)O1 ZINC000665005974 1022656932 /nfs/dbraw/zinc/65/69/32/1022656932.db2.gz UZDDBCCWHCWBFH-SOLBZPMBSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C[C@H]3C=CCC3)n2)O1 ZINC000665005974 1022656940 /nfs/dbraw/zinc/65/69/40/1022656940.db2.gz UZDDBCCWHCWBFH-SOLBZPMBSA-N 1 2 339.439 3.540 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1Cl ZINC000607279338 1033071300 /nfs/dbraw/zinc/07/13/00/1033071300.db2.gz IYILZAOEECCVHR-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1Cl ZINC000607279338 1033071317 /nfs/dbraw/zinc/07/13/17/1033071317.db2.gz IYILZAOEECCVHR-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO CCC[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009167 1022691552 /nfs/dbraw/zinc/69/15/52/1022691552.db2.gz KIPATDYYSYLYIH-INMHGKMJSA-N 1 2 329.444 3.935 20 0 EHADLO CCC[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009167 1022691562 /nfs/dbraw/zinc/69/15/62/1022691562.db2.gz KIPATDYYSYLYIH-INMHGKMJSA-N 1 2 329.444 3.935 20 0 EHADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)cc1 ZINC000891796265 1022779841 /nfs/dbraw/zinc/77/98/41/1022779841.db2.gz LEKPRKPRSDAHHZ-OAHLLOKOSA-N 1 2 349.228 3.592 20 0 EHADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2ncc(Br)cc2O)cc1 ZINC000891796265 1022779852 /nfs/dbraw/zinc/77/98/52/1022779852.db2.gz LEKPRKPRSDAHHZ-OAHLLOKOSA-N 1 2 349.228 3.592 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2ccoc2C(=O)OC)cc1OC ZINC000341649102 1022796788 /nfs/dbraw/zinc/79/67/88/1022796788.db2.gz ZALMVTDDUXEUDV-ZDUSSCGKSA-N 1 2 347.411 3.714 20 0 EHADLO Brc1cccc([C@H]2CC[N@H+](Cc3nccn3C3CC3)C2)c1 ZINC000894722817 1022820455 /nfs/dbraw/zinc/82/04/55/1022820455.db2.gz LOCUCEKUENRAEL-AWEZNQCLSA-N 1 2 346.272 3.970 20 0 EHADLO Brc1cccc([C@H]2CC[N@@H+](Cc3nccn3C3CC3)C2)c1 ZINC000894722817 1022820473 /nfs/dbraw/zinc/82/04/73/1022820473.db2.gz LOCUCEKUENRAEL-AWEZNQCLSA-N 1 2 346.272 3.970 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2c(OC(F)F)ccc3ccccc32)[nH]1 ZINC000894771722 1022868301 /nfs/dbraw/zinc/86/83/01/1022868301.db2.gz SMPNZAHZZZFCJE-SNVBAGLBSA-N 1 2 332.354 3.719 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438639245 1022883510 /nfs/dbraw/zinc/88/35/10/1022883510.db2.gz ASZVUZUQNMJNPZ-ZDUSSCGKSA-N 1 2 346.406 3.554 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(CC)o2)cc1OC ZINC000341663252 1022915513 /nfs/dbraw/zinc/91/55/13/1022915513.db2.gz WYVOQKWXHYOISE-QWHCGFSZSA-N 1 2 333.432 3.841 20 0 EHADLO CC[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(OC)cc1 ZINC000188968566 1022925392 /nfs/dbraw/zinc/92/53/92/1022925392.db2.gz UCQXUJPEFBWZIU-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CC[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(OC)cc1 ZINC000188968566 1022925399 /nfs/dbraw/zinc/92/53/99/1022925399.db2.gz UCQXUJPEFBWZIU-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cnn4c3C[C@@H](C)CC4)c2)[nH+]c1C ZINC000843773371 1022975702 /nfs/dbraw/zinc/97/57/02/1022975702.db2.gz ATIJPMVEQXIHLT-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CCO1 ZINC000506352332 1022986953 /nfs/dbraw/zinc/98/69/53/1022986953.db2.gz GTEZCROTUGFQPU-INIZCTEOSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CCO1 ZINC000506352332 1022986966 /nfs/dbraw/zinc/98/69/66/1022986966.db2.gz GTEZCROTUGFQPU-INIZCTEOSA-N 1 2 347.480 3.947 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nc(-c2ccncc2)cs1)c1nccn1C ZINC000341689250 1023026455 /nfs/dbraw/zinc/02/64/55/1023026455.db2.gz HPOASTOMCHQYGS-TZMCWYRMSA-N 1 2 327.457 3.741 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(CC)CC)[C@H](C)C1 ZINC000441468115 1023033227 /nfs/dbraw/zinc/03/32/27/1023033227.db2.gz GDSAUPIJSQQNHI-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C(CC)CC)[C@H](C)C1 ZINC000441468115 1023033244 /nfs/dbraw/zinc/03/32/44/1023033244.db2.gz GDSAUPIJSQQNHI-MRXNPFEDSA-N 1 2 332.488 3.554 20 0 EHADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000176098868 1023035489 /nfs/dbraw/zinc/03/54/89/1023035489.db2.gz FIDASRLTJJWWAK-VIFPVBQESA-N 1 2 345.877 3.513 20 0 EHADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000176098868 1023035502 /nfs/dbraw/zinc/03/55/02/1023035502.db2.gz FIDASRLTJJWWAK-VIFPVBQESA-N 1 2 345.877 3.513 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128812082 1023052993 /nfs/dbraw/zinc/05/29/93/1023052993.db2.gz KOIJQCDQOLEFBE-JYJNAYRXSA-N 1 2 326.444 3.621 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429614220 1023063078 /nfs/dbraw/zinc/06/30/78/1023063078.db2.gz XBUSLYJJHYZVIM-UHFFFAOYSA-N 1 2 349.438 3.740 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000518215570 1023136721 /nfs/dbraw/zinc/13/67/21/1023136721.db2.gz VLFRNLJSBWXZRX-ONENECBXSA-N 1 2 338.238 3.567 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000518215570 1023136723 /nfs/dbraw/zinc/13/67/23/1023136723.db2.gz VLFRNLJSBWXZRX-ONENECBXSA-N 1 2 338.238 3.567 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2ccsc2)c(C)c1 ZINC000441480663 1023138969 /nfs/dbraw/zinc/13/89/69/1023138969.db2.gz KYZJXIZEFVGEHO-GOSISDBHSA-N 1 2 339.464 3.662 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470695 1023140015 /nfs/dbraw/zinc/14/00/15/1023140015.db2.gz RXUHCPMXDBBQPY-OWCLPIDISA-N 1 2 326.444 3.763 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143564887 1023151539 /nfs/dbraw/zinc/15/15/39/1023151539.db2.gz NHOGWCZQWCPNKL-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143564887 1023151548 /nfs/dbraw/zinc/15/15/48/1023151548.db2.gz NHOGWCZQWCPNKL-ZDUSSCGKSA-N 1 2 341.398 3.529 20 0 EHADLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)F)c(F)c2)c1 ZINC000891867318 1023152015 /nfs/dbraw/zinc/15/20/15/1023152015.db2.gz DUOPKFOAXLZBHT-UHFFFAOYSA-N 1 2 337.345 3.537 20 0 EHADLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C(F)F)c(F)c2)c1 ZINC000891867318 1023152023 /nfs/dbraw/zinc/15/20/23/1023152023.db2.gz DUOPKFOAXLZBHT-UHFFFAOYSA-N 1 2 337.345 3.537 20 0 EHADLO C[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1cccc(O)c1 ZINC000638567558 1023153517 /nfs/dbraw/zinc/15/35/17/1023153517.db2.gz OWAITNADIXWAOR-CQSZACIVSA-N 1 2 334.423 3.701 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000366735968 1023153952 /nfs/dbraw/zinc/15/39/52/1023153952.db2.gz GPTOFJOSYUEJOV-NMVRNDPTSA-N 1 2 343.858 3.612 20 0 EHADLO CC(C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426256516 1023206843 /nfs/dbraw/zinc/20/68/43/1023206843.db2.gz MBRMMJYMAKTXOL-MOPGFXCFSA-N 1 2 340.471 3.847 20 0 EHADLO COc1cc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)cc2c1OCCO2 ZINC000507253923 1023210372 /nfs/dbraw/zinc/21/03/72/1023210372.db2.gz SSAZWNFBQQZDKJ-LBPRGKRZSA-N 1 2 349.377 3.938 20 0 EHADLO COc1cc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)cc2c1OCCO2 ZINC000507253923 1023210381 /nfs/dbraw/zinc/21/03/81/1023210381.db2.gz SSAZWNFBQQZDKJ-LBPRGKRZSA-N 1 2 349.377 3.938 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(C)c1C1CCC1 ZINC000507288813 1023235657 /nfs/dbraw/zinc/23/56/57/1023235657.db2.gz HJHANYWEIQDEJY-UHFFFAOYSA-N 1 2 342.487 3.604 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000431082905 1023238538 /nfs/dbraw/zinc/23/85/38/1023238538.db2.gz WULGAQGWLWGICR-WOJBJXKFSA-N 1 2 341.426 3.693 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c[nH+]1 ZINC000459079167 1023241923 /nfs/dbraw/zinc/24/19/23/1023241923.db2.gz OUTZDMGQEGVJMM-CYBMUJFWSA-N 1 2 329.366 3.571 20 0 EHADLO CNC(=O)C[NH+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000507324836 1023249157 /nfs/dbraw/zinc/24/91/57/1023249157.db2.gz IBXSNFHNGWXDGX-UHFFFAOYSA-N 1 2 337.250 3.742 20 0 EHADLO Clc1ccc(/C=C\C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000895071976 1023254065 /nfs/dbraw/zinc/25/40/65/1023254065.db2.gz ZQUWNYWZHLGVPA-UPHRSURJSA-N 1 2 343.858 3.640 20 0 EHADLO Clc1ccc(/C=C\C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000895071976 1023254075 /nfs/dbraw/zinc/25/40/75/1023254075.db2.gz ZQUWNYWZHLGVPA-UPHRSURJSA-N 1 2 343.858 3.640 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431122092 1023283103 /nfs/dbraw/zinc/28/31/03/1023283103.db2.gz YTUXTDKTWPCFRM-SNRMKQJTSA-N 1 2 345.389 3.585 20 0 EHADLO COc1cc2c(cc1OC)[C@H](Nc1ccc(N3CCCC3)c[nH+]1)CC2 ZINC000684555595 1023297549 /nfs/dbraw/zinc/29/75/49/1023297549.db2.gz SAGIGJUQGXRGES-QGZVFWFLSA-N 1 2 339.439 3.798 20 0 EHADLO CCc1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)s1 ZINC000341820189 1023382828 /nfs/dbraw/zinc/38/28/28/1023382828.db2.gz XQPGXWVRWFRGRI-QGZVFWFLSA-N 1 2 339.464 3.872 20 0 EHADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)c(C)n1C1CCCCC1 ZINC000341826276 1023406911 /nfs/dbraw/zinc/40/69/11/1023406911.db2.gz OWGAQFSHEQNROS-UHFFFAOYSA-N 1 2 340.471 3.847 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](Cc2cccc(F)c2)C(C)C)s1 ZINC000602761815 1033132492 /nfs/dbraw/zinc/13/24/92/1033132492.db2.gz AORVHCFIVLEYCB-UHFFFAOYSA-N 1 2 336.432 3.870 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](Cc2cccc(F)c2)C(C)C)s1 ZINC000602761815 1033132509 /nfs/dbraw/zinc/13/25/09/1033132509.db2.gz AORVHCFIVLEYCB-UHFFFAOYSA-N 1 2 336.432 3.870 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000520953724 1023499361 /nfs/dbraw/zinc/49/93/61/1023499361.db2.gz VOGGZZFPOMIDCX-HXUWFJFHSA-N 1 2 331.419 3.575 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccccc1C(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426175152 1023548990 /nfs/dbraw/zinc/54/89/90/1023548990.db2.gz RHKDYQCYFIZYEB-WMZOPIPTSA-N 1 2 332.488 3.662 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccccc1C(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000426175152 1023548994 /nfs/dbraw/zinc/54/89/94/1023548994.db2.gz RHKDYQCYFIZYEB-WMZOPIPTSA-N 1 2 332.488 3.662 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458123041 1023585289 /nfs/dbraw/zinc/58/52/89/1023585289.db2.gz JCZUQDCPVJHBPM-FQEVSTJZSA-N 1 2 337.467 3.887 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001143417215 1023589131 /nfs/dbraw/zinc/58/91/31/1023589131.db2.gz CBTZLMLKNBLPSA-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001143417215 1023589135 /nfs/dbraw/zinc/58/91/35/1023589135.db2.gz CBTZLMLKNBLPSA-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Cl ZINC000341912030 1023672332 /nfs/dbraw/zinc/67/23/32/1023672332.db2.gz ALKWOUAZFHJRIP-LBPRGKRZSA-N 1 2 332.835 3.713 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1Cl ZINC000341912030 1023672336 /nfs/dbraw/zinc/67/23/36/1023672336.db2.gz ALKWOUAZFHJRIP-LBPRGKRZSA-N 1 2 332.835 3.713 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)s1 ZINC000602784677 1033159319 /nfs/dbraw/zinc/15/93/19/1033159319.db2.gz VHQSPFJVQUGGFV-OAHLLOKOSA-N 1 2 348.493 3.610 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)s1 ZINC000602784677 1033159337 /nfs/dbraw/zinc/15/93/37/1033159337.db2.gz VHQSPFJVQUGGFV-OAHLLOKOSA-N 1 2 348.493 3.610 20 0 EHADLO COCC[C@H]([NH2+]Cc1nccc(C)n1)c1ccc(Cl)c(Cl)c1 ZINC000342026242 1023765213 /nfs/dbraw/zinc/76/52/13/1023765213.db2.gz VDCXDNBMFKCLOS-HNNXBMFYSA-N 1 2 340.254 3.959 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)s1 ZINC000602786797 1033162122 /nfs/dbraw/zinc/16/21/22/1033162122.db2.gz YKWFONVOBFGQDV-GXTWGEPZSA-N 1 2 334.441 3.886 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)s1 ZINC000602786797 1033162135 /nfs/dbraw/zinc/16/21/35/1033162135.db2.gz YKWFONVOBFGQDV-GXTWGEPZSA-N 1 2 334.441 3.886 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001143419487 1023875235 /nfs/dbraw/zinc/87/52/35/1023875235.db2.gz DDVIAUONLHFKEM-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001143419487 1023875241 /nfs/dbraw/zinc/87/52/41/1023875241.db2.gz DDVIAUONLHFKEM-AWEZNQCLSA-N 1 2 337.341 3.766 20 0 EHADLO CCc1ccccc1O[C@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000443462011 1023980066 /nfs/dbraw/zinc/98/00/66/1023980066.db2.gz OXJIPDOHPBKUQK-FQEVSTJZSA-N 1 2 349.434 3.717 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459109233 1024000526 /nfs/dbraw/zinc/00/05/26/1024000526.db2.gz DUKBFVXYOFMXST-DLBZAZTESA-N 1 2 346.519 3.967 20 0 EHADLO CCC(C)(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434425721 1024020421 /nfs/dbraw/zinc/02/04/21/1024020421.db2.gz PYQUFLNNIWHJCZ-UHFFFAOYSA-N 1 2 332.492 3.545 20 0 EHADLO O=C(c1cc2cc(F)ccc2s1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346029185 1024021448 /nfs/dbraw/zinc/02/14/48/1024021448.db2.gz FPIVGASUHCBQCK-HNNXBMFYSA-N 1 2 342.395 3.729 20 0 EHADLO Cc1csc(NC(=O)CSCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000443485864 1024021922 /nfs/dbraw/zinc/02/19/22/1024021922.db2.gz OFWGWYPLTDUFGR-UHFFFAOYSA-N 1 2 344.465 3.509 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513997996 1024041522 /nfs/dbraw/zinc/04/15/22/1024041522.db2.gz XZZRITRRDHIHDI-BEFAXECRSA-N 1 2 342.870 3.925 20 0 EHADLO CC(C)CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099773 1024055929 /nfs/dbraw/zinc/05/59/29/1024055929.db2.gz BULYPMNXLGZQQH-HNNXBMFYSA-N 1 2 326.843 3.778 20 0 EHADLO NC(=O)c1cccc(CCNc2cc[nH+]c3c(Cl)cccc23)c1 ZINC000342109035 1024071160 /nfs/dbraw/zinc/07/11/60/1024071160.db2.gz GBKUUAPIGMGUQB-UHFFFAOYSA-N 1 2 325.799 3.642 20 0 EHADLO COc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)c(OC)c1OC ZINC000414846394 1024074632 /nfs/dbraw/zinc/07/46/32/1024074632.db2.gz HBKOUZGXOJIBAH-UHFFFAOYSA-N 1 2 328.412 3.683 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(C)c1OC ZINC000342113325 1024079877 /nfs/dbraw/zinc/07/98/77/1024079877.db2.gz ZLDUUYUSBLZMAJ-MRXNPFEDSA-N 1 2 345.443 3.760 20 0 EHADLO Cc1sc2nc(C[N@H+]3CC[C@@H](OCCC(C)C)C3)nc(N)c2c1C ZINC000093188336 1024086368 /nfs/dbraw/zinc/08/63/68/1024086368.db2.gz HUUVDHMQRDYKEK-CQSZACIVSA-N 1 2 348.516 3.527 20 0 EHADLO Cc1sc2nc(C[N@@H+]3CC[C@@H](OCCC(C)C)C3)nc(N)c2c1C ZINC000093188336 1024086382 /nfs/dbraw/zinc/08/63/82/1024086382.db2.gz HUUVDHMQRDYKEK-CQSZACIVSA-N 1 2 348.516 3.527 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)on1 ZINC000151397234 1024093562 /nfs/dbraw/zinc/09/35/62/1024093562.db2.gz VBDKTCLXGCNWOT-CQSZACIVSA-N 1 2 342.443 3.503 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)C)cc1 ZINC000151327656 1024101018 /nfs/dbraw/zinc/10/10/18/1024101018.db2.gz RKAUMPQOMOALBF-ICSRJNTNSA-N 1 2 339.483 3.912 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151477549 1024114878 /nfs/dbraw/zinc/11/48/78/1024114878.db2.gz MTBMNBWFRXMUCT-QGZVFWFLSA-N 1 2 333.435 3.660 20 0 EHADLO O=C(Nc1cccc(C[NH2+]Cc2cocn2)c1)c1ccccc1Cl ZINC000594060906 1033187493 /nfs/dbraw/zinc/18/74/93/1033187493.db2.gz CMZHEVMOHOJBOW-UHFFFAOYSA-N 1 2 341.798 3.870 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000151522814 1024150795 /nfs/dbraw/zinc/15/07/95/1024150795.db2.gz GQLCCJIWAIONKH-CQSZACIVSA-N 1 2 346.862 3.869 20 0 EHADLO CCC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000434592099 1024170789 /nfs/dbraw/zinc/17/07/89/1024170789.db2.gz SANBMJZMIGVRSL-UHFFFAOYSA-N 1 2 329.444 3.887 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CCc3cccc(F)c3)C3CC3)ccn12 ZINC000520605901 1024224597 /nfs/dbraw/zinc/22/45/97/1024224597.db2.gz GORKWFWITFTQTQ-UHFFFAOYSA-N 1 2 337.398 3.629 20 0 EHADLO Clc1ccc(/C=C\CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000349653004 1024242099 /nfs/dbraw/zinc/24/20/99/1024242099.db2.gz IZABOTMGNZIWEC-ARJAWSKDSA-N 1 2 327.859 3.566 20 0 EHADLO Cc1ccc(CCCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505460041 1024262002 /nfs/dbraw/zinc/26/20/02/1024262002.db2.gz KUGZKHKFIAAGGX-HXUWFJFHSA-N 1 2 340.442 3.630 20 0 EHADLO O=C(CCC(=O)c1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342170135 1024292391 /nfs/dbraw/zinc/29/23/91/1024292391.db2.gz ULLLSLLIHYHSFT-UHFFFAOYSA-N 1 2 337.354 3.613 20 0 EHADLO O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342171186 1024294371 /nfs/dbraw/zinc/29/43/71/1024294371.db2.gz WWMOXUPIOUXRED-UHFFFAOYSA-N 1 2 335.382 3.681 20 0 EHADLO c1nc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)n2c1CCCC2 ZINC000434690925 1024301656 /nfs/dbraw/zinc/30/16/56/1024301656.db2.gz LNZNASNVECEXHJ-UHFFFAOYSA-N 1 2 336.439 3.740 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)CCC(C)(C)C)CC[NH2+]1 ZINC000505476610 1024320798 /nfs/dbraw/zinc/32/07/98/1024320798.db2.gz MXSPLMCRAHLXSK-WBVHZDCISA-N 1 2 332.488 3.631 20 0 EHADLO CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191491643 1024342458 /nfs/dbraw/zinc/34/24/58/1024342458.db2.gz DQYUSMKNMFVQAC-CQSZACIVSA-N 1 2 333.480 3.599 20 0 EHADLO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000191491643 1024342469 /nfs/dbraw/zinc/34/24/69/1024342469.db2.gz DQYUSMKNMFVQAC-CQSZACIVSA-N 1 2 333.480 3.599 20 0 EHADLO Oc1cccc2sc(C[N@@H+]3CCO[C@H](CC(F)(F)F)C3)cc21 ZINC000895348798 1024356830 /nfs/dbraw/zinc/35/68/30/1024356830.db2.gz ACBWFFQZPHDOJB-SNVBAGLBSA-N 1 2 331.359 3.760 20 0 EHADLO Oc1cccc2sc(C[N@H+]3CCO[C@H](CC(F)(F)F)C3)cc21 ZINC000895348798 1024356849 /nfs/dbraw/zinc/35/68/49/1024356849.db2.gz ACBWFFQZPHDOJB-SNVBAGLBSA-N 1 2 331.359 3.760 20 0 EHADLO Cn1c(C[N@H+](C)Cc2c[nH]nc2-c2ccsc2)nc2ccccc21 ZINC000430101751 1024365309 /nfs/dbraw/zinc/36/53/09/1024365309.db2.gz OASWEJADJBKEFZ-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO Cn1c(C[N@@H+](C)Cc2c[nH]nc2-c2ccsc2)nc2ccccc21 ZINC000430101751 1024365325 /nfs/dbraw/zinc/36/53/25/1024365325.db2.gz OASWEJADJBKEFZ-UHFFFAOYSA-N 1 2 337.452 3.657 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000617490395 1024380392 /nfs/dbraw/zinc/38/03/92/1024380392.db2.gz GLVCFMVXWIKNCS-VXGBXAGGSA-N 1 2 330.338 3.512 20 0 EHADLO CC(C)c1ccccc1OCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522375445 1024384981 /nfs/dbraw/zinc/38/49/81/1024384981.db2.gz VSJJSUQWHORDRJ-UHFFFAOYSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@@]1=O ZINC000277268028 1024387265 /nfs/dbraw/zinc/38/72/65/1024387265.db2.gz RIKPDTDTXZVQLW-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[S@@]1=O ZINC000277268028 1024387282 /nfs/dbraw/zinc/38/72/82/1024387282.db2.gz RIKPDTDTXZVQLW-XDHUDOTRSA-N 1 2 343.492 3.609 20 0 EHADLO O=C(Nc1ccc2ncsc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342210590 1024409757 /nfs/dbraw/zinc/40/97/57/1024409757.db2.gz FCENCPAXFQQVGP-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO O=C(c1cc2ccccc2s1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000434783264 1024423366 /nfs/dbraw/zinc/42/33/66/1024423366.db2.gz IUUFMFYYGPRGHB-MRXNPFEDSA-N 1 2 326.465 3.768 20 0 EHADLO CCC[C@H]1SCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194773 1024424716 /nfs/dbraw/zinc/42/47/16/1024424716.db2.gz RERXAPGHRRAZHA-DOTOQJQBSA-N 1 2 329.469 3.633 20 0 EHADLO CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1nccs1 ZINC000425193524 1024432125 /nfs/dbraw/zinc/43/21/25/1024432125.db2.gz MKCNRIUPUNHXAY-CABCVRRESA-N 1 2 340.452 3.656 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC(C)(C)C1 ZINC000505530024 1024444091 /nfs/dbraw/zinc/44/40/91/1024444091.db2.gz MBLFILIIBSVVMC-QGPMSJSTSA-N 1 2 332.463 3.761 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000346152097 1024452989 /nfs/dbraw/zinc/45/29/89/1024452989.db2.gz OTLVKEOXCMBOAZ-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000346152097 1024452996 /nfs/dbraw/zinc/45/29/96/1024452996.db2.gz OTLVKEOXCMBOAZ-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO CCCOc1cccc2c(N[C@@H](C)c3nnc4n3CCC4)cc[nH+]c12 ZINC000280940788 1024456744 /nfs/dbraw/zinc/45/67/44/1024456744.db2.gz FRDZUOOEFXGTEY-ZDUSSCGKSA-N 1 2 337.427 3.734 20 0 EHADLO Cc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c2cnn(C(C)C)c2n1 ZINC000097214015 1024481624 /nfs/dbraw/zinc/48/16/24/1024481624.db2.gz NQOKIIHFDPPFMS-UHFFFAOYSA-N 1 2 337.427 3.893 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000895455288 1024532342 /nfs/dbraw/zinc/53/23/42/1024532342.db2.gz YUKXSRQZZXPKMN-UHFFFAOYSA-N 1 2 345.342 3.565 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]1c1ccccc1Cl ZINC000346226163 1024540611 /nfs/dbraw/zinc/54/06/11/1024540611.db2.gz VOBSHYPWOVYTOX-BBRMVZONSA-N 1 2 329.831 3.847 20 0 EHADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3nc(Cl)cs3)C2)cc1C ZINC000895503594 1024563846 /nfs/dbraw/zinc/56/38/46/1024563846.db2.gz WUGJPDJMOVOZNF-ZDUSSCGKSA-N 1 2 335.860 3.696 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c[nH+]1 ZINC000514584602 1024580799 /nfs/dbraw/zinc/58/07/99/1024580799.db2.gz YGAGUGUAZUHKTE-HNNXBMFYSA-N 1 2 337.345 3.801 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000156769594 1024586844 /nfs/dbraw/zinc/58/68/44/1024586844.db2.gz KCBQVLVMOIBMAM-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000156769594 1024586854 /nfs/dbraw/zinc/58/68/54/1024586854.db2.gz KCBQVLVMOIBMAM-FQEVSTJZSA-N 1 2 348.450 3.731 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000346308334 1024634426 /nfs/dbraw/zinc/63/44/26/1024634426.db2.gz RBMMPBSFVAZCRQ-GOSISDBHSA-N 1 2 325.412 3.829 20 0 EHADLO C[C@H](CCC1CC1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000346315290 1024639973 /nfs/dbraw/zinc/63/99/73/1024639973.db2.gz OYIUVJLRSGJCSN-CVEARBPZSA-N 1 2 345.487 3.780 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135437 1024645470 /nfs/dbraw/zinc/64/54/70/1024645470.db2.gz PSTMSTMWEGBZHY-GHMZBOCLSA-N 1 2 334.407 3.941 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(C(F)(F)F)s2)C12CCC2 ZINC000435135437 1024645474 /nfs/dbraw/zinc/64/54/74/1024645474.db2.gz PSTMSTMWEGBZHY-GHMZBOCLSA-N 1 2 334.407 3.941 20 0 EHADLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000346329168 1024653348 /nfs/dbraw/zinc/65/33/48/1024653348.db2.gz RCZADSNWKIOFRB-FQEVSTJZSA-N 1 2 347.418 3.579 20 0 EHADLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000346329168 1024653357 /nfs/dbraw/zinc/65/33/57/1024653357.db2.gz RCZADSNWKIOFRB-FQEVSTJZSA-N 1 2 347.418 3.579 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425286515 1024659051 /nfs/dbraw/zinc/65/90/51/1024659051.db2.gz URCVLHFJXDEXQA-KYHPRHEASA-N 1 2 325.456 3.825 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000514675128 1024661365 /nfs/dbraw/zinc/66/13/65/1024661365.db2.gz MLXDOOWIPUIYQV-DNVCBOLYSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CCCCC1(C)C ZINC000505621487 1024663099 /nfs/dbraw/zinc/66/30/99/1024663099.db2.gz MZMAHZRMOHCMSP-MRXNPFEDSA-N 1 2 345.487 3.772 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000536418790 1024663920 /nfs/dbraw/zinc/66/39/20/1024663920.db2.gz CUHDTMGXQCVLEQ-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000536418790 1024663924 /nfs/dbraw/zinc/66/39/24/1024663924.db2.gz CUHDTMGXQCVLEQ-CQSZACIVSA-N 1 2 328.843 3.750 20 0 EHADLO Fc1ccc(C[NH2+]C2(c3ncccn3)CCC2)c(C(F)(F)F)c1 ZINC000895622137 1024670037 /nfs/dbraw/zinc/67/00/37/1024670037.db2.gz HTTFVTGWOVJADP-UHFFFAOYSA-N 1 2 325.309 3.804 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)[nH]1 ZINC000277335756 1024686570 /nfs/dbraw/zinc/68/65/70/1024686570.db2.gz USERKBANGADQPA-XQQFMLRXSA-N 1 2 329.448 3.688 20 0 EHADLO Cc1nc2cc(Cl)c(NC(=O)NCCCn3cc[nH+]c3)cc2s1 ZINC000435193653 1024692067 /nfs/dbraw/zinc/69/20/67/1024692067.db2.gz WRFTTWDCCRPLPR-UHFFFAOYSA-N 1 2 349.847 3.666 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4cnc5cnccc5c4)n3)c2)c[nH+]1 ZINC000346398965 1024716217 /nfs/dbraw/zinc/71/62/17/1024716217.db2.gz XTEOXXVYUIOANZ-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cncn1C(C)C)C[C@H]1CCCO1 ZINC000425331683 1024770230 /nfs/dbraw/zinc/77/02/30/1024770230.db2.gz XXETWENHTQVWFN-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cncn1C(C)C)C[C@H]1CCCO1 ZINC000425331683 1024770246 /nfs/dbraw/zinc/77/02/46/1024770246.db2.gz XXETWENHTQVWFN-LJQANCHMSA-N 1 2 343.471 3.654 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2cccc3[nH]ccc32)c1 ZINC000427754936 1024775721 /nfs/dbraw/zinc/77/57/21/1024775721.db2.gz SOAWXOFHAFOZMR-UHFFFAOYSA-N 1 2 344.418 3.934 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)NCc3c[nH+]cn3C(C)C)n2)cc1F ZINC000425336489 1024781209 /nfs/dbraw/zinc/78/12/09/1024781209.db2.gz LHNOXKGKBLZSDR-CYBMUJFWSA-N 1 2 343.406 3.812 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000425348300 1024797666 /nfs/dbraw/zinc/79/76/66/1024797666.db2.gz CEHPLFFPBMOODD-INIZCTEOSA-N 1 2 344.377 3.654 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000425348300 1024797678 /nfs/dbraw/zinc/79/76/78/1024797678.db2.gz CEHPLFFPBMOODD-INIZCTEOSA-N 1 2 344.377 3.654 20 0 EHADLO Cc1c2cccc(Cl)c2sc1C[N@@H+]1CCCn2nncc2C1 ZINC000895756374 1024798859 /nfs/dbraw/zinc/79/88/59/1024798859.db2.gz VYBLYRQNOLTYQZ-UHFFFAOYSA-N 1 2 332.860 3.861 20 0 EHADLO Cc1c2cccc(Cl)c2sc1C[N@H+]1CCCn2nncc2C1 ZINC000895756374 1024798869 /nfs/dbraw/zinc/79/88/69/1024798869.db2.gz VYBLYRQNOLTYQZ-UHFFFAOYSA-N 1 2 332.860 3.861 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1-c1cccs1 ZINC000895757759 1024799114 /nfs/dbraw/zinc/79/91/14/1024799114.db2.gz ZULBPUSOAQHPGM-UHFFFAOYSA-N 1 2 328.416 3.552 20 0 EHADLO Fc1ccc(C[N@H+]2CCCn3nncc3C2)cc1-c1cccs1 ZINC000895757759 1024799126 /nfs/dbraw/zinc/79/91/26/1024799126.db2.gz ZULBPUSOAQHPGM-UHFFFAOYSA-N 1 2 328.416 3.552 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000427817715 1024804224 /nfs/dbraw/zinc/80/42/24/1024804224.db2.gz GIVBXMABCSHZET-DLBZAZTESA-N 1 2 339.426 3.966 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@@H](C)Cc2cnn(C)c2)C(F)F)c1 ZINC000514873771 1024831788 /nfs/dbraw/zinc/83/17/88/1024831788.db2.gz WUUCUMUJMOIUIC-GUYCJALGSA-N 1 2 337.414 3.734 20 0 EHADLO FC(F)(F)c1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[nH]n1 ZINC000895788345 1024836028 /nfs/dbraw/zinc/83/60/28/1024836028.db2.gz QJKRDNVHVCSFLN-KWQFWETISA-N 1 2 327.272 3.593 20 0 EHADLO FC(F)(F)c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[nH]n1 ZINC000895788345 1024836049 /nfs/dbraw/zinc/83/60/49/1024836049.db2.gz QJKRDNVHVCSFLN-KWQFWETISA-N 1 2 327.272 3.593 20 0 EHADLO O=C([C@H]1CC12CCC2)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684709475 1024848051 /nfs/dbraw/zinc/84/80/51/1024848051.db2.gz QMKWFVSXWSHGBG-QGZVFWFLSA-N 1 2 343.858 3.756 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3sccc3[C@@H]1C)C2 ZINC000474376981 1024852357 /nfs/dbraw/zinc/85/23/57/1024852357.db2.gz NGXGCMAMORDIRG-STQMWFEESA-N 1 2 343.496 3.845 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3sccc3[C@@H]1C)CC2 ZINC000474376981 1024852377 /nfs/dbraw/zinc/85/23/77/1024852377.db2.gz NGXGCMAMORDIRG-STQMWFEESA-N 1 2 343.496 3.845 20 0 EHADLO CC(C)[C@@H]1CCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548715 1024857224 /nfs/dbraw/zinc/85/72/24/1024857224.db2.gz DURWIHMWBDHHEA-MSOLQXFVSA-N 1 2 340.471 3.534 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000563210840 1024861765 /nfs/dbraw/zinc/86/17/65/1024861765.db2.gz SLIPAFQSJLBJBL-HIFRSBDPSA-N 1 2 340.452 3.808 20 0 EHADLO CCc1cccnc1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000346570824 1024877841 /nfs/dbraw/zinc/87/78/41/1024877841.db2.gz PQRSMUKNLJEBMC-UHFFFAOYSA-N 1 2 331.379 3.606 20 0 EHADLO Oc1cccc2c(N3CCC[C@H](c4ncc5n4CCCC5)C3)cc[nH+]c12 ZINC000669660238 1033243446 /nfs/dbraw/zinc/24/34/46/1033243446.db2.gz HLZCONWQIXBLPD-HNNXBMFYSA-N 1 2 348.450 3.857 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000435414883 1024895812 /nfs/dbraw/zinc/89/58/12/1024895812.db2.gz GYWBVHUJKZOUNX-OAHLLOKOSA-N 1 2 344.434 3.782 20 0 EHADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c2cc(F)ccc21 ZINC000435403059 1024901210 /nfs/dbraw/zinc/90/12/10/1024901210.db2.gz SCTFSAUQJSERNM-UHFFFAOYSA-N 1 2 334.354 3.755 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)o1 ZINC000346593043 1024905790 /nfs/dbraw/zinc/90/57/90/1024905790.db2.gz MPOQQVFQDQJSOF-ZBFHGGJFSA-N 1 2 326.440 3.776 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)o1 ZINC000346593043 1024905802 /nfs/dbraw/zinc/90/58/02/1024905802.db2.gz MPOQQVFQDQJSOF-ZBFHGGJFSA-N 1 2 326.440 3.776 20 0 EHADLO CNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(C(F)F)c(F)c1 ZINC000895871832 1024920088 /nfs/dbraw/zinc/92/00/88/1024920088.db2.gz BROOCBBAYWQVDW-UHFFFAOYSA-N 1 2 336.357 3.512 20 0 EHADLO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(F)F)c(F)c1 ZINC000895871832 1024920095 /nfs/dbraw/zinc/92/00/95/1024920095.db2.gz BROOCBBAYWQVDW-UHFFFAOYSA-N 1 2 336.357 3.512 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474435851 1024966340 /nfs/dbraw/zinc/96/63/40/1024966340.db2.gz BVGXUDCESPLDGW-OAHLLOKOSA-N 1 2 336.794 3.816 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000474435851 1024966348 /nfs/dbraw/zinc/96/63/48/1024966348.db2.gz BVGXUDCESPLDGW-OAHLLOKOSA-N 1 2 336.794 3.816 20 0 EHADLO Cc1nsc(C)c1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000515032785 1024974500 /nfs/dbraw/zinc/97/45/00/1024974500.db2.gz SXTXMUKZNRSTCO-RMKNXTFCSA-N 1 2 327.497 3.591 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC[C@@H](C)C[C@@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516820 1024981849 /nfs/dbraw/zinc/98/18/49/1024981849.db2.gz JGKMYPGBQYHACD-IUODEOHRSA-N 1 2 340.427 3.841 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC[C@@H](C)C[C@@H]3c3ccc(C)o3)[nH]c2n1 ZINC001167516820 1024981852 /nfs/dbraw/zinc/98/18/52/1024981852.db2.gz JGKMYPGBQYHACD-IUODEOHRSA-N 1 2 340.427 3.841 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000897944940 1033252714 /nfs/dbraw/zinc/25/27/14/1033252714.db2.gz RWTSIFGMXHMNMW-UHFFFAOYSA-N 1 2 328.391 3.791 20 0 EHADLO CC(C)(C)C1CC(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000515066209 1024995553 /nfs/dbraw/zinc/99/55/53/1024995553.db2.gz KVGLNYRLHPYWIE-GWEOLNPGSA-N 1 2 329.488 3.993 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000508273928 1025001288 /nfs/dbraw/zinc/00/12/88/1025001288.db2.gz LQIYNHCQYZIUDP-OLHLWXQYSA-N 1 2 346.434 3.722 20 0 EHADLO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395198 1025021030 /nfs/dbraw/zinc/02/10/30/1025021030.db2.gz MZEKZVHEVCKHEG-CVEARBPZSA-N 1 2 330.255 3.792 20 0 EHADLO CO[C@H](C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000425395198 1025021037 /nfs/dbraw/zinc/02/10/37/1025021037.db2.gz MZEKZVHEVCKHEG-CVEARBPZSA-N 1 2 330.255 3.792 20 0 EHADLO CCC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508305180 1025023108 /nfs/dbraw/zinc/02/31/08/1025023108.db2.gz YGVQITWKYYKTCG-IAGOWNOFSA-N 1 2 332.488 3.554 20 0 EHADLO CCC[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508305180 1025023120 /nfs/dbraw/zinc/02/31/20/1025023120.db2.gz YGVQITWKYYKTCG-IAGOWNOFSA-N 1 2 332.488 3.554 20 0 EHADLO COCC1C[NH+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000895970372 1025026958 /nfs/dbraw/zinc/02/69/58/1025026958.db2.gz UTMNAOSGNHMWAX-UHFFFAOYSA-N 1 2 338.167 3.546 20 0 EHADLO CN(C[C@@H]1CC=CCC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000342354303 1025031328 /nfs/dbraw/zinc/03/13/28/1025031328.db2.gz IFPWGZJXYHKATR-OAHLLOKOSA-N 1 2 348.516 3.949 20 0 EHADLO Cc1cc(C)c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c(C)[nH+]1 ZINC000097214160 1025038451 /nfs/dbraw/zinc/03/84/51/1025038451.db2.gz AUWBEODIKNJTRK-IZZDOVSWSA-N 1 2 349.434 3.551 20 0 EHADLO O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342366132 1025072889 /nfs/dbraw/zinc/07/28/89/1025072889.db2.gz CRHUVDGMILZMFG-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000487413017 1025115691 /nfs/dbraw/zinc/11/56/91/1025115691.db2.gz NPCLRCDNZDVDJW-SFHVURJKSA-N 1 2 347.462 3.943 20 0 EHADLO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435767961 1025128977 /nfs/dbraw/zinc/12/89/77/1025128977.db2.gz MVRGOZSRTSCOCY-IRXDYDNUSA-N 1 2 341.451 3.883 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(C(CC)CC)n1 ZINC000277447745 1025129368 /nfs/dbraw/zinc/12/93/68/1025129368.db2.gz FSZZOJWOMGVCLX-UHFFFAOYSA-N 1 2 345.491 3.556 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc(SC)cc1 ZINC000435780615 1025146616 /nfs/dbraw/zinc/14/66/16/1025146616.db2.gz FBVWWJAEAZXQGF-LJQANCHMSA-N 1 2 343.492 3.633 20 0 EHADLO NC(=O)c1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444009046 1025180170 /nfs/dbraw/zinc/18/01/70/1025180170.db2.gz KHCCWUJQBGJDFP-UHFFFAOYSA-N 1 2 346.434 3.597 20 0 EHADLO Cn1c(C[NH2+]Cc2ccc3c(n2)CCCC3)nc2cc(Cl)ccc21 ZINC000444010571 1025181335 /nfs/dbraw/zinc/18/13/35/1025181335.db2.gz PTJSWEPEYQXWMM-UHFFFAOYSA-N 1 2 340.858 3.790 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)cc1OC ZINC000191869373 1025182915 /nfs/dbraw/zinc/18/29/15/1025182915.db2.gz VVPXWAOWOAZRSD-UHFFFAOYSA-N 1 2 344.459 3.707 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000346830706 1025208727 /nfs/dbraw/zinc/20/87/27/1025208727.db2.gz RSYKMSBKJIBRPV-QZTJIDSGSA-N 1 2 343.496 3.678 20 0 EHADLO CSC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000602921252 1033266610 /nfs/dbraw/zinc/26/66/10/1033266610.db2.gz VYEWTBHOCNJXDE-UHFFFAOYSA-N 1 2 326.893 3.723 20 0 EHADLO O=C(CC1=CCCCC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474646349 1025284386 /nfs/dbraw/zinc/28/43/86/1025284386.db2.gz IQQSFEBIDVUWNG-UHFFFAOYSA-N 1 2 332.875 3.705 20 0 EHADLO O=C(CC1=CCCCC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474646349 1025284394 /nfs/dbraw/zinc/28/43/94/1025284394.db2.gz IQQSFEBIDVUWNG-UHFFFAOYSA-N 1 2 332.875 3.705 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055750 1033272415 /nfs/dbraw/zinc/27/24/15/1033272415.db2.gz MSRQDXIJKGVSLQ-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055750 1033272420 /nfs/dbraw/zinc/27/24/20/1033272420.db2.gz MSRQDXIJKGVSLQ-GHMZBOCLSA-N 1 2 332.391 3.620 20 0 EHADLO Clc1cccc2c1[C@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CO2 ZINC000342416375 1025305661 /nfs/dbraw/zinc/30/56/61/1025305661.db2.gz LQAXWDOZOBDVPK-OCCSQVGLSA-N 1 2 336.844 3.871 20 0 EHADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436024947 1025308327 /nfs/dbraw/zinc/30/83/27/1025308327.db2.gz ZYIUBMVBTCDUOK-PIIMJCKOSA-N 1 2 343.858 3.611 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(Cl)cccc1OC ZINC000346919775 1025315230 /nfs/dbraw/zinc/31/52/30/1025315230.db2.gz QGYNOVGEQFSYBX-UHFFFAOYSA-N 1 2 349.862 3.660 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)cc(Br)c2F)cc[nH+]1 ZINC000436039410 1025323811 /nfs/dbraw/zinc/32/38/11/1025323811.db2.gz FZEVMUIRMLMAEM-UHFFFAOYSA-N 1 2 343.583 3.619 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152203865 1025326931 /nfs/dbraw/zinc/32/69/31/1025326931.db2.gz FEJYQOYGWMQGRW-AAEUAGOBSA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152203865 1025326943 /nfs/dbraw/zinc/32/69/43/1025326943.db2.gz FEJYQOYGWMQGRW-AAEUAGOBSA-N 1 2 332.398 3.901 20 0 EHADLO O[C@H](C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccco1 ZINC000892196711 1025371545 /nfs/dbraw/zinc/37/15/45/1025371545.db2.gz YSSMFSHCRJGCTJ-GOSISDBHSA-N 1 2 337.423 3.547 20 0 EHADLO O[C@H](C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1)c1ccco1 ZINC000892196711 1025371553 /nfs/dbraw/zinc/37/15/53/1025371553.db2.gz YSSMFSHCRJGCTJ-GOSISDBHSA-N 1 2 337.423 3.547 20 0 EHADLO CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000896348052 1025371346 /nfs/dbraw/zinc/37/13/46/1025371346.db2.gz VEPMJXAOZMAJKJ-HZPDHXFCSA-N 1 2 349.438 3.671 20 0 EHADLO CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000896348052 1025371360 /nfs/dbraw/zinc/37/13/60/1025371360.db2.gz VEPMJXAOZMAJKJ-HZPDHXFCSA-N 1 2 349.438 3.671 20 0 EHADLO C[C@H]1CCc2sc(C(=O)NCCCCNc3cccc[nH+]3)cc2C1 ZINC000521442179 1025380116 /nfs/dbraw/zinc/38/01/16/1025380116.db2.gz UGUBIHFJIRIECJ-AWEZNQCLSA-N 1 2 343.496 3.890 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000896369388 1025386521 /nfs/dbraw/zinc/38/65/21/1025386521.db2.gz LEOMMRFLKNANOZ-STQMWFEESA-N 1 2 348.365 3.557 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000896369388 1025386529 /nfs/dbraw/zinc/38/65/29/1025386529.db2.gz LEOMMRFLKNANOZ-STQMWFEESA-N 1 2 348.365 3.557 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000347027126 1025433636 /nfs/dbraw/zinc/43/36/36/1025433636.db2.gz UOVGDWGIFKNVDX-UONOGXRCSA-N 1 2 343.393 3.547 20 0 EHADLO Fc1cncc([C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C2CC2)c1 ZINC000281753945 1025441731 /nfs/dbraw/zinc/44/17/31/1025441731.db2.gz WAXHXUBWEYVWLL-HXUWFJFHSA-N 1 2 334.398 3.919 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccccc1C(C)(C)C ZINC000347060232 1025447700 /nfs/dbraw/zinc/44/77/00/1025447700.db2.gz XTQAZJBYBDGWRT-UHFFFAOYSA-N 1 2 325.456 3.789 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)[nH]1 ZINC000277503927 1025502436 /nfs/dbraw/zinc/50/24/36/1025502436.db2.gz VRPRIZWSYHGCCJ-ZFWWWQNUSA-N 1 2 338.459 3.663 20 0 EHADLO C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H](CO)c1ccccc1 ZINC000436251996 1025511298 /nfs/dbraw/zinc/51/12/98/1025511298.db2.gz GSWVHQLQZJOYPL-QFIPXVFZSA-N 1 2 347.462 3.526 20 0 EHADLO C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H](CO)c1ccccc1 ZINC000436251996 1025511308 /nfs/dbraw/zinc/51/13/08/1025511308.db2.gz GSWVHQLQZJOYPL-QFIPXVFZSA-N 1 2 347.462 3.526 20 0 EHADLO Fc1ccc(F)c2c1O[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1O2 ZINC000425510064 1025557090 /nfs/dbraw/zinc/55/70/90/1025557090.db2.gz LPNXDMYGUOEQTI-TXEJJXNPSA-N 1 2 337.288 3.521 20 0 EHADLO Fc1ccc(F)c2c1O[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1O2 ZINC000425510064 1025557104 /nfs/dbraw/zinc/55/71/04/1025557104.db2.gz LPNXDMYGUOEQTI-TXEJJXNPSA-N 1 2 337.288 3.521 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1C(F)(F)F ZINC000898019454 1033290625 /nfs/dbraw/zinc/29/06/25/1033290625.db2.gz MMJSRTWMIOAKTC-UHFFFAOYSA-N 1 2 337.267 3.805 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc4cc[nH]c4n3)no2)c1 ZINC000347144446 1025568096 /nfs/dbraw/zinc/56/80/96/1025568096.db2.gz XJNCWXNVPAYHBZ-UHFFFAOYSA-N 1 2 342.362 3.774 20 0 EHADLO CN(C)c1ccc(NCc2c[nH]c(=NC(=O)OC(C)(C)C)s2)[nH+]c1 ZINC000281851192 1025573767 /nfs/dbraw/zinc/57/37/67/1025573767.db2.gz BFTBUCYDQRQTRW-UHFFFAOYSA-N 1 2 349.460 3.563 20 0 EHADLO C/C=C\C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404638 1025575493 /nfs/dbraw/zinc/57/54/93/1025575493.db2.gz DQJGFCIIYUEUHO-KYVUIXNKSA-N 1 2 342.487 3.570 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2ccoc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000442928666 1025593326 /nfs/dbraw/zinc/59/33/26/1025593326.db2.gz DBJNCKLXSNYTCJ-QWQRMKEZSA-N 1 2 330.428 3.505 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc2ccoc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000442928666 1025593345 /nfs/dbraw/zinc/59/33/45/1025593345.db2.gz DBJNCKLXSNYTCJ-QWQRMKEZSA-N 1 2 330.428 3.505 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)o2)cc1 ZINC000442967936 1025628836 /nfs/dbraw/zinc/62/88/36/1025628836.db2.gz VPOMLOWOFWMSFV-FQEVSTJZSA-N 1 2 327.424 3.500 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)o2)cc1 ZINC000442967936 1025628839 /nfs/dbraw/zinc/62/88/39/1025628839.db2.gz VPOMLOWOFWMSFV-FQEVSTJZSA-N 1 2 327.424 3.500 20 0 EHADLO Brc1cccc(C2([NH2+]Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000657370567 1025638128 /nfs/dbraw/zinc/63/81/28/1025638128.db2.gz CJHBJTOCPBSPMO-UHFFFAOYSA-N 1 2 347.260 3.545 20 0 EHADLO CC(C)(C)c1nc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cs1 ZINC000443002665 1025655339 /nfs/dbraw/zinc/65/53/39/1025655339.db2.gz PVBRSWAGQSMBFJ-INIZCTEOSA-N 1 2 349.544 3.854 20 0 EHADLO Fc1cccc(Oc2ccc(C[N@@H+]3CCOC[C@]34CCOC4)cc2)c1 ZINC000443062035 1025678067 /nfs/dbraw/zinc/67/80/67/1025678067.db2.gz AAADDXZGZNKHQC-HXUWFJFHSA-N 1 2 343.398 3.609 20 0 EHADLO Fc1cccc(Oc2ccc(C[N@H+]3CCOC[C@]34CCOC4)cc2)c1 ZINC000443062035 1025678079 /nfs/dbraw/zinc/67/80/79/1025678079.db2.gz AAADDXZGZNKHQC-HXUWFJFHSA-N 1 2 343.398 3.609 20 0 EHADLO O=C1[C@H]([NH+]2CCC(C(F)(F)F)CC2)CCCN1c1ccccc1F ZINC000179343727 1025689077 /nfs/dbraw/zinc/68/90/77/1025689077.db2.gz WKJADWAYDJXTGI-OAHLLOKOSA-N 1 2 344.352 3.595 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)n2)cc1 ZINC000505818910 1025722371 /nfs/dbraw/zinc/72/23/71/1025722371.db2.gz LABXWOPPJPSMRC-GOSISDBHSA-N 1 2 349.434 3.561 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)n2)cc1 ZINC000505818910 1025722381 /nfs/dbraw/zinc/72/23/81/1025722381.db2.gz LABXWOPPJPSMRC-GOSISDBHSA-N 1 2 349.434 3.561 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000081316427 1025725374 /nfs/dbraw/zinc/72/53/74/1025725374.db2.gz JGBKIFNZFLIIAH-GOSISDBHSA-N 1 2 337.398 3.581 20 0 EHADLO c1ccc(-n2nnc(C[NH2+][C@H](c3ccccn3)C3CC3)c2C2CC2)cc1 ZINC000896610018 1025725958 /nfs/dbraw/zinc/72/59/58/1025725958.db2.gz SHFZAELWKDIVOZ-FQEVSTJZSA-N 1 2 345.450 3.781 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451269949 1025739619 /nfs/dbraw/zinc/73/96/19/1025739619.db2.gz UAKACLIGGUTPFN-MUKKUYKPSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451269949 1025739632 /nfs/dbraw/zinc/73/96/32/1025739632.db2.gz UAKACLIGGUTPFN-MUKKUYKPSA-N 1 2 335.369 3.826 20 0 EHADLO Fc1cccc(CCCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000521883114 1025747272 /nfs/dbraw/zinc/74/72/72/1025747272.db2.gz CPLMPJARWKJHQQ-UHFFFAOYSA-N 1 2 347.397 3.999 20 0 EHADLO CCOC(=O)C1(C)CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000474881920 1025756709 /nfs/dbraw/zinc/75/67/09/1025756709.db2.gz SGCGKBJYLGBETL-UHFFFAOYSA-N 1 2 345.487 3.996 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccc(F)cc1 ZINC000443154302 1025767845 /nfs/dbraw/zinc/76/78/45/1025767845.db2.gz GRNXHFASDJDOHC-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccc(F)cc1 ZINC000443154302 1025767864 /nfs/dbraw/zinc/76/78/64/1025767864.db2.gz GRNXHFASDJDOHC-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO c1nn([C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)c2ccccc12 ZINC000329355224 1025773786 /nfs/dbraw/zinc/77/37/86/1025773786.db2.gz VQZYNUIEXGWYPB-MRXNPFEDSA-N 1 2 337.427 3.524 20 0 EHADLO c1nn([C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)c2ccccc12 ZINC000329355224 1025773801 /nfs/dbraw/zinc/77/38/01/1025773801.db2.gz VQZYNUIEXGWYPB-MRXNPFEDSA-N 1 2 337.427 3.524 20 0 EHADLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCC1 ZINC000451292593 1025775936 /nfs/dbraw/zinc/77/59/36/1025775936.db2.gz TYSQWVJEGWDQLE-UHFFFAOYSA-N 1 2 329.488 3.752 20 0 EHADLO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320872 1025803619 /nfs/dbraw/zinc/80/36/19/1025803619.db2.gz MQTSWFGEPSYJHO-CHWSQXEVSA-N 1 2 326.893 3.721 20 0 EHADLO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320872 1025803639 /nfs/dbraw/zinc/80/36/39/1025803639.db2.gz MQTSWFGEPSYJHO-CHWSQXEVSA-N 1 2 326.893 3.721 20 0 EHADLO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320880 1025804116 /nfs/dbraw/zinc/80/41/16/1025804116.db2.gz MQTSWFGEPSYJHO-STQMWFEESA-N 1 2 326.893 3.721 20 0 EHADLO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320880 1025804145 /nfs/dbraw/zinc/80/41/45/1025804145.db2.gz MQTSWFGEPSYJHO-STQMWFEESA-N 1 2 326.893 3.721 20 0 EHADLO COc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1OCC(C)C ZINC000684820287 1025841793 /nfs/dbraw/zinc/84/17/93/1025841793.db2.gz DOSPZHTXSCQNQF-UHFFFAOYSA-N 1 2 339.395 3.630 20 0 EHADLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000444177668 1025860094 /nfs/dbraw/zinc/86/00/94/1025860094.db2.gz YZVMERNVVLQWJL-NSHDSACASA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000896680638 1025867667 /nfs/dbraw/zinc/86/76/67/1025867667.db2.gz ADJJKUKIIFIMRN-CRAIPNDOSA-N 1 2 325.456 3.579 20 0 EHADLO CSc1ccc(CCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000522005415 1025876884 /nfs/dbraw/zinc/87/68/84/1025876884.db2.gz PUZNBEABIKXSNL-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO CSc1ccc(CCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000522005415 1025876899 /nfs/dbraw/zinc/87/68/99/1025876899.db2.gz PUZNBEABIKXSNL-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000374125545 1025917617 /nfs/dbraw/zinc/91/76/17/1025917617.db2.gz IYSFGPWURUOCIB-CYBMUJFWSA-N 1 2 328.391 3.838 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1Cl ZINC000110113706 1025943476 /nfs/dbraw/zinc/94/34/76/1025943476.db2.gz DCTGHABIUMWEGF-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000110113706 1025943483 /nfs/dbraw/zinc/94/34/83/1025943483.db2.gz DCTGHABIUMWEGF-KBPBESRZSA-N 1 2 346.862 3.512 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccc(F)cc2O1 ZINC000657399495 1025953833 /nfs/dbraw/zinc/95/38/33/1025953833.db2.gz JDJSAYPXJMYRDV-MRXNPFEDSA-N 1 2 330.407 3.534 20 0 EHADLO O=C(Nc1ccc2ccoc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000443370908 1025962139 /nfs/dbraw/zinc/96/21/39/1025962139.db2.gz QQVCPZCKSQIXTQ-UHFFFAOYSA-N 1 2 341.436 3.844 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000444257508 1025979670 /nfs/dbraw/zinc/97/96/70/1025979670.db2.gz DTWZBAOJFDJCJJ-OCCSQVGLSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000444257508 1025979677 /nfs/dbraw/zinc/97/96/77/1025979677.db2.gz DTWZBAOJFDJCJJ-OCCSQVGLSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1Cc1ccco1 ZINC000444257746 1025984461 /nfs/dbraw/zinc/98/44/61/1025984461.db2.gz FFZMBPUXUYENGS-ZBFHGGJFSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(C)n1Cc1ccco1 ZINC000444257746 1025984472 /nfs/dbraw/zinc/98/44/72/1025984472.db2.gz FFZMBPUXUYENGS-ZBFHGGJFSA-N 1 2 346.496 3.755 20 0 EHADLO CC[C@@H](Cc1ccccc1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000522123799 1026003216 /nfs/dbraw/zinc/00/32/16/1026003216.db2.gz JDTOCKMMLNXLIV-SFHVURJKSA-N 1 2 340.467 3.934 20 0 EHADLO c1[nH+]c(-c2ccc(NCc3cc4n(n3)CCC4)cc2)n2c1CCCC2 ZINC000657407176 1026043273 /nfs/dbraw/zinc/04/32/73/1026043273.db2.gz PUFOKHUWPHCWEU-UHFFFAOYSA-N 1 2 333.439 3.641 20 0 EHADLO Clc1cccc2nc(NCc3cc[nH+]c(N4CCCC4)c3)ccc12 ZINC000443443654 1026045680 /nfs/dbraw/zinc/04/56/80/1026045680.db2.gz YGSYRWZFQHEJLE-UHFFFAOYSA-N 1 2 338.842 3.917 20 0 EHADLO Cc1cc(C[NH+]2CCN(c3ccc4c(Cl)cccc4n3)CC2)on1 ZINC000443446537 1026054099 /nfs/dbraw/zinc/05/40/99/1026054099.db2.gz UGSPEYILCYENON-UHFFFAOYSA-N 1 2 342.830 3.507 20 0 EHADLO Cc1[nH]c(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)[nH+]c1C ZINC000896927499 1026073140 /nfs/dbraw/zinc/07/31/40/1026073140.db2.gz MZZUTSYKXHUKDQ-UHFFFAOYSA-N 1 2 331.847 3.808 20 0 EHADLO CSCc1c2ccccc2oc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896928815 1026078135 /nfs/dbraw/zinc/07/81/35/1026078135.db2.gz BKQUXLUDXGITNC-UHFFFAOYSA-N 1 2 329.425 3.566 20 0 EHADLO CO[C@H](CC(C)C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820413 1026082787 /nfs/dbraw/zinc/08/27/87/1026082787.db2.gz DWUSVUMABCQIRR-MRXNPFEDSA-N 1 2 326.400 3.580 20 0 EHADLO c1cn(-c2ccc(Cc3noc(COC4CCCCC4)n3)cc2)c[nH+]1 ZINC000896824622 1026097652 /nfs/dbraw/zinc/09/76/52/1026097652.db2.gz ALFFWWDYJFFHRV-UHFFFAOYSA-N 1 2 338.411 3.695 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451563093 1026116343 /nfs/dbraw/zinc/11/63/43/1026116343.db2.gz JOCMCVQGQZTIBP-MISXGVKJSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451563093 1026116350 /nfs/dbraw/zinc/11/63/50/1026116350.db2.gz JOCMCVQGQZTIBP-MISXGVKJSA-N 1 2 345.270 3.677 20 0 EHADLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564067 1026118417 /nfs/dbraw/zinc/11/84/17/1026118417.db2.gz LIIKLCXIWIEQPF-ABAIWWIYSA-N 1 2 342.842 3.553 20 0 EHADLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1(C)C ZINC000451564067 1026118427 /nfs/dbraw/zinc/11/84/27/1026118427.db2.gz LIIKLCXIWIEQPF-ABAIWWIYSA-N 1 2 342.842 3.553 20 0 EHADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000516208351 1026137203 /nfs/dbraw/zinc/13/72/03/1026137203.db2.gz OGPSBOZHMFQZJG-CRAIPNDOSA-N 1 2 326.444 3.592 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000516216330 1026146785 /nfs/dbraw/zinc/14/67/85/1026146785.db2.gz FQSHSIUQNBRDOS-YOEHRIQHSA-N 1 2 342.439 3.785 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000516216330 1026146795 /nfs/dbraw/zinc/14/67/95/1026146795.db2.gz FQSHSIUQNBRDOS-YOEHRIQHSA-N 1 2 342.439 3.785 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000043040008 1026159991 /nfs/dbraw/zinc/15/99/91/1026159991.db2.gz PAIRJDMNRKCEIR-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C(C)C)C(C)C)s1 ZINC000122050759 1026166269 /nfs/dbraw/zinc/16/62/69/1026166269.db2.gz VOVLHEQWQUMWPY-CQSZACIVSA-N 1 2 325.522 3.652 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C(C)C)C(C)C)s1 ZINC000122050759 1026166278 /nfs/dbraw/zinc/16/62/78/1026166278.db2.gz VOVLHEQWQUMWPY-CQSZACIVSA-N 1 2 325.522 3.652 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000530663510 1026196473 /nfs/dbraw/zinc/19/64/73/1026196473.db2.gz VQZSDZBFFWZPHD-UHFFFAOYSA-N 1 2 326.440 3.895 20 0 EHADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530663510 1026196480 /nfs/dbraw/zinc/19/64/80/1026196480.db2.gz VQZSDZBFFWZPHD-UHFFFAOYSA-N 1 2 326.440 3.895 20 0 EHADLO Cn1ncc2c1CCCN(c1cc[nH+]c3cc(F)c(Cl)cc31)C2 ZINC000413487594 1026218417 /nfs/dbraw/zinc/21/84/17/1026218417.db2.gz YGEKVCQLLJEPPU-UHFFFAOYSA-N 1 2 330.794 3.714 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475138566 1026232060 /nfs/dbraw/zinc/23/20/60/1026232060.db2.gz LPEYRMCGCUSLNX-HZPDHXFCSA-N 1 2 328.460 3.738 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530724196 1026250641 /nfs/dbraw/zinc/25/06/41/1026250641.db2.gz WUAKUGQOBJPRFC-ROUUACIJSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530724196 1026250650 /nfs/dbraw/zinc/25/06/50/1026250650.db2.gz WUAKUGQOBJPRFC-ROUUACIJSA-N 1 2 338.455 3.635 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000530778442 1026287048 /nfs/dbraw/zinc/28/70/48/1026287048.db2.gz YYLCJAAOXPTGKJ-UHFFFAOYSA-N 1 2 338.373 3.975 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000530778442 1026287058 /nfs/dbraw/zinc/28/70/58/1026287058.db2.gz YYLCJAAOXPTGKJ-UHFFFAOYSA-N 1 2 338.373 3.975 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836915 1026316928 /nfs/dbraw/zinc/31/69/28/1026316928.db2.gz LPWFLUOKHCYLSR-KDOFPFPSSA-N 1 2 342.414 3.651 20 0 EHADLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836915 1026316938 /nfs/dbraw/zinc/31/69/38/1026316938.db2.gz LPWFLUOKHCYLSR-KDOFPFPSSA-N 1 2 342.414 3.651 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841619 1026338262 /nfs/dbraw/zinc/33/82/62/1026338262.db2.gz QHTBZJXFPSEFSN-KYHPRHEASA-N 1 2 330.472 3.700 20 0 EHADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841619 1026338267 /nfs/dbraw/zinc/33/82/67/1026338267.db2.gz QHTBZJXFPSEFSN-KYHPRHEASA-N 1 2 330.472 3.700 20 0 EHADLO Cc1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC000342578154 1026342442 /nfs/dbraw/zinc/34/24/42/1026342442.db2.gz CCADNKJNNPONBV-UHFFFAOYSA-N 1 2 347.296 3.738 20 0 EHADLO Brc1ccsc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000043501826 1026358749 /nfs/dbraw/zinc/35/87/49/1026358749.db2.gz LFFIIVYRNIIDFE-UHFFFAOYSA-N 1 2 337.286 3.833 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cc(C(=O)NCC4CC4)ccc3C)n2c1 ZINC000190361637 1026359775 /nfs/dbraw/zinc/35/97/75/1026359775.db2.gz HOLRIQMOIXRKPK-UHFFFAOYSA-N 1 2 348.450 3.703 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2c(F)cccc2Br)cn1 ZINC000451893910 1026362526 /nfs/dbraw/zinc/36/25/26/1026362526.db2.gz YPVHHACERJWIPG-SNVBAGLBSA-N 1 2 326.213 3.655 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000451899545 1026369192 /nfs/dbraw/zinc/36/91/92/1026369192.db2.gz XCFMESWAXJCRQI-HUUCEWRRSA-N 1 2 339.443 3.982 20 0 EHADLO O[C@@H]([C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899695 1026369367 /nfs/dbraw/zinc/36/93/67/1026369367.db2.gz ZCRQNTHISVPZRI-DOMZBBRYSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899695 1026369379 /nfs/dbraw/zinc/36/93/79/1026369379.db2.gz ZCRQNTHISVPZRI-DOMZBBRYSA-N 1 2 348.434 3.936 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cn1 ZINC000451916085 1026376989 /nfs/dbraw/zinc/37/69/89/1026376989.db2.gz UYSIWPLBBKISGC-KGLIPLIRSA-N 1 2 325.416 3.673 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451966042 1026403620 /nfs/dbraw/zinc/40/36/20/1026403620.db2.gz NZWSEGAURLGOSV-UHFFFAOYSA-N 1 2 348.441 3.667 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000452000917 1026441507 /nfs/dbraw/zinc/44/15/07/1026441507.db2.gz XHOVOJMDUUUECG-KRWDZBQOSA-N 1 2 328.435 3.867 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000452000917 1026441514 /nfs/dbraw/zinc/44/15/14/1026441514.db2.gz XHOVOJMDUUUECG-KRWDZBQOSA-N 1 2 328.435 3.867 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000475364191 1026516656 /nfs/dbraw/zinc/51/66/56/1026516656.db2.gz MVPOKWWLLBZDOU-IINYFYTJSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000475364191 1026516664 /nfs/dbraw/zinc/51/66/64/1026516664.db2.gz MVPOKWWLLBZDOU-IINYFYTJSA-N 1 2 349.780 3.990 20 0 EHADLO CC(C)c1cccc2c1CC[N@H+](CC(=O)NCc1cccs1)C2 ZINC000475399628 1026571276 /nfs/dbraw/zinc/57/12/76/1026571276.db2.gz CHGACBUNLIVWJD-UHFFFAOYSA-N 1 2 328.481 3.546 20 0 EHADLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)NCc1cccs1)C2 ZINC000475399628 1026571286 /nfs/dbraw/zinc/57/12/86/1026571286.db2.gz CHGACBUNLIVWJD-UHFFFAOYSA-N 1 2 328.481 3.546 20 0 EHADLO c1cn(CCCNc2nc3ccccc3c(-c3ccccc3)n2)c[nH+]1 ZINC000018054945 1026587393 /nfs/dbraw/zinc/58/73/93/1026587393.db2.gz LTHIQUTZZOSTKR-UHFFFAOYSA-N 1 2 329.407 3.996 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(-c3scnc3C)cc2)s1 ZINC000657471021 1026614327 /nfs/dbraw/zinc/61/43/27/1026614327.db2.gz YFJWZWKTDTXTDI-UHFFFAOYSA-N 1 2 330.482 3.822 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000665628280 1026626480 /nfs/dbraw/zinc/62/64/80/1026626480.db2.gz JBAHJSKLBJPGDH-YRGRVCCFSA-N 1 2 347.871 3.530 20 0 EHADLO Cc1ccc(OC2CC[NH+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000277703954 1026633211 /nfs/dbraw/zinc/63/32/11/1026633211.db2.gz MICRBKNQNATGJK-UHFFFAOYSA-N 1 2 348.450 3.619 20 0 EHADLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc(Br)c1 ZINC000452329541 1026661433 /nfs/dbraw/zinc/66/14/33/1026661433.db2.gz BWULHOSLQWXNRH-NSHDSACASA-N 1 2 348.244 3.724 20 0 EHADLO O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1c[nH+]c2n1CCCC2 ZINC000452331484 1026662226 /nfs/dbraw/zinc/66/22/26/1026662226.db2.gz DHDFKQNYFAIXSF-UHFFFAOYSA-N 1 2 328.803 3.535 20 0 EHADLO CC(C)(CC(=O)Nc1c[nH+]c2n1CCCC2)CC(=O)c1ccccc1 ZINC000452331049 1026662857 /nfs/dbraw/zinc/66/28/57/1026662857.db2.gz JBOPMSJZQPLVTK-UHFFFAOYSA-N 1 2 339.439 3.847 20 0 EHADLO CC[N@H+](CC(=O)NCC1CCCCC1)Cc1ccc(Cl)s1 ZINC000105022423 1026663320 /nfs/dbraw/zinc/66/33/20/1026663320.db2.gz ZCVMQIHNEDLOKO-UHFFFAOYSA-N 1 2 328.909 3.920 20 0 EHADLO CC[N@@H+](CC(=O)NCC1CCCCC1)Cc1ccc(Cl)s1 ZINC000105022423 1026663328 /nfs/dbraw/zinc/66/33/28/1026663328.db2.gz ZCVMQIHNEDLOKO-UHFFFAOYSA-N 1 2 328.909 3.920 20 0 EHADLO CCc1cc(Nc2ccc([NH+]3CCC(C)CC3)cc2)n2ncnc2n1 ZINC000301086923 1026680892 /nfs/dbraw/zinc/68/08/92/1026680892.db2.gz KRCQPRVUWBVDAU-UHFFFAOYSA-N 1 2 336.443 3.667 20 0 EHADLO CC[N@H+](Cc1nncn1-c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000277725817 1026705085 /nfs/dbraw/zinc/70/50/85/1026705085.db2.gz NRSDLVDKHNUUQC-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1nncn1-c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000277725817 1026705089 /nfs/dbraw/zinc/70/50/89/1026705089.db2.gz NRSDLVDKHNUUQC-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452416197 1026735244 /nfs/dbraw/zinc/73/52/44/1026735244.db2.gz HZWKWJIFOPNVAR-PKOBYXMFSA-N 1 2 325.456 3.878 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000452418818 1026737166 /nfs/dbraw/zinc/73/71/66/1026737166.db2.gz KSCSYFMBKGFHOW-OALUTQOASA-N 1 2 339.483 3.807 20 0 EHADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc2cccnc21 ZINC000684934761 1026740635 /nfs/dbraw/zinc/74/06/35/1026740635.db2.gz PHLNLAGELIQUAP-UHFFFAOYSA-N 1 2 342.402 3.756 20 0 EHADLO O=C(COC1CCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277743651 1026756988 /nfs/dbraw/zinc/75/69/88/1026756988.db2.gz QFTITTLNJUEDTN-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO Cc1nc(C(C)C)oc1C[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000428343344 1026782675 /nfs/dbraw/zinc/78/26/75/1026782675.db2.gz BANSCGPXOZBYAY-INIZCTEOSA-N 1 2 327.432 3.636 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934557586 1026785747 /nfs/dbraw/zinc/78/57/47/1026785747.db2.gz SGEYZWDDSOFYQK-CHWSQXEVSA-N 1 2 334.489 3.698 20 0 EHADLO c1cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc(C2CCCC2)c1 ZINC000657504662 1026816742 /nfs/dbraw/zinc/81/67/42/1026816742.db2.gz JUACSGUTCOVCPH-KRWDZBQOSA-N 1 2 326.444 3.604 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[C@@H](C)C1CCCCC1 ZINC000301481086 1026822548 /nfs/dbraw/zinc/82/25/48/1026822548.db2.gz DRPZGYPUXPERRK-IXDOHACOSA-N 1 2 346.519 3.702 20 0 EHADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@@H](C)C1CCCCC1 ZINC000301481086 1026822557 /nfs/dbraw/zinc/82/25/57/1026822557.db2.gz DRPZGYPUXPERRK-IXDOHACOSA-N 1 2 346.519 3.702 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000301513544 1026834706 /nfs/dbraw/zinc/83/47/06/1026834706.db2.gz BZGKMUNWFZPCKP-KRWDZBQOSA-N 1 2 338.455 3.817 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000301513544 1026834715 /nfs/dbraw/zinc/83/47/15/1026834715.db2.gz BZGKMUNWFZPCKP-KRWDZBQOSA-N 1 2 338.455 3.817 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCc1cscn1 ZINC000301534425 1026844276 /nfs/dbraw/zinc/84/42/76/1026844276.db2.gz LGPZBYMDBIUZPW-UHFFFAOYSA-N 1 2 327.409 3.523 20 0 EHADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000452586996 1026856532 /nfs/dbraw/zinc/85/65/32/1026856532.db2.gz FPPZNLDAHUWMMQ-SUMWQHHRSA-N 1 2 347.821 3.506 20 0 EHADLO Cc1nc(N2CCC(Nc3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000301584740 1026862266 /nfs/dbraw/zinc/86/22/66/1026862266.db2.gz UUIOFFSXGUMWAS-UHFFFAOYSA-N 1 2 340.446 3.884 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301596802 1026867036 /nfs/dbraw/zinc/86/70/36/1026867036.db2.gz WPOQHKXVQRYGKN-UHFFFAOYSA-N 1 2 340.446 3.990 20 0 EHADLO Fc1ccc(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000301596802 1026867043 /nfs/dbraw/zinc/86/70/43/1026867043.db2.gz WPOQHKXVQRYGKN-UHFFFAOYSA-N 1 2 340.446 3.990 20 0 EHADLO FC(F)c1nc2ccccc2c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000301622177 1026877666 /nfs/dbraw/zinc/87/76/66/1026877666.db2.gz DTUBVTUCCCRHOQ-CYBMUJFWSA-N 1 2 342.349 3.620 20 0 EHADLO COc1cc(OC)cc(N(C)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000342734103 1026887902 /nfs/dbraw/zinc/88/79/02/1026887902.db2.gz HJQKLRRFLGEQOT-UHFFFAOYSA-N 1 2 337.423 3.585 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)c3ccc(F)c(F)c3)[nH+]c12 ZINC000531425451 1026899495 /nfs/dbraw/zinc/89/94/95/1026899495.db2.gz IWBSCOWPRQLRIM-UHFFFAOYSA-N 1 2 343.377 3.515 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440755 1026923789 /nfs/dbraw/zinc/92/37/89/1026923789.db2.gz ZKLPELBGXPLSHR-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440755 1026923792 /nfs/dbraw/zinc/92/37/92/1026923792.db2.gz ZKLPELBGXPLSHR-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO CC(=O)Oc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000123003070 1026932487 /nfs/dbraw/zinc/93/24/87/1026932487.db2.gz SABBHDBRYIQRKZ-SFHVURJKSA-N 1 2 338.432 3.948 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(c2ccccc2)CC1 ZINC000301825048 1026952579 /nfs/dbraw/zinc/95/25/79/1026952579.db2.gz DKRDRQRIEFUWKZ-UHFFFAOYSA-N 1 2 335.455 3.965 20 0 EHADLO CCOCc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301838440 1026958518 /nfs/dbraw/zinc/95/85/18/1026958518.db2.gz NISFNAMXKFXVAN-UHFFFAOYSA-N 1 2 339.443 3.730 20 0 EHADLO CC(C)c1cc(N2CCN(CC(F)(F)F)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301850640 1026963511 /nfs/dbraw/zinc/96/35/11/1026963511.db2.gz BBIAPILJBVUTII-ZDUSSCGKSA-N 1 2 344.425 3.796 20 0 EHADLO CCCC[C@H](CC)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000531494370 1026969971 /nfs/dbraw/zinc/96/99/71/1026969971.db2.gz YUEFHEIMLZYQBQ-KRWDZBQOSA-N 1 2 332.488 3.643 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCc2cc(F)ccc21 ZINC000301865481 1026971647 /nfs/dbraw/zinc/97/16/47/1026971647.db2.gz FWCYRTVDCNCGCJ-OAHLLOKOSA-N 1 2 325.391 3.820 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000305782510 1026981116 /nfs/dbraw/zinc/98/11/16/1026981116.db2.gz VMEWLCNROQWRPJ-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1ccccc1)CC(F)F ZINC000301891921 1026981479 /nfs/dbraw/zinc/98/14/79/1026981479.db2.gz OIYUKNYJLUAPMW-UHFFFAOYSA-N 1 2 345.397 3.853 20 0 EHADLO C[C@H](c1ccccc1F)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301894955 1026983245 /nfs/dbraw/zinc/98/32/45/1026983245.db2.gz PPMDPZXGYTXSBS-GFCCVEGCSA-N 1 2 327.407 3.918 20 0 EHADLO CCC1(CC)[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C[C@H]1OC ZINC000301927987 1026998905 /nfs/dbraw/zinc/99/89/05/1026998905.db2.gz NHPBRZPWNZTGHQ-ZIAGYGMSSA-N 1 2 331.464 3.587 20 0 EHADLO C[NH+](C)[C@H](CNc1ccc(OC(F)F)cn1)c1c(F)cccc1F ZINC000301938210 1027001338 /nfs/dbraw/zinc/00/13/38/1027001338.db2.gz RRVLJNQWVOTHIL-CYBMUJFWSA-N 1 2 343.324 3.676 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301977079 1027013515 /nfs/dbraw/zinc/01/35/15/1027013515.db2.gz FDKYOLMIJBBQIV-CYBMUJFWSA-N 1 2 332.398 3.943 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301977079 1027013525 /nfs/dbraw/zinc/01/35/25/1027013525.db2.gz FDKYOLMIJBBQIV-CYBMUJFWSA-N 1 2 332.398 3.943 20 0 EHADLO CCC(CC)[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000302077093 1027046359 /nfs/dbraw/zinc/04/63/59/1027046359.db2.gz WOIZQSARUAQTKK-GOEBONIOSA-N 1 2 345.491 3.977 20 0 EHADLO Cc1nc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302100999 1027053568 /nfs/dbraw/zinc/05/35/68/1027053568.db2.gz PVBRTDLPJJLCNB-SJCJKPOMSA-N 1 2 329.469 3.692 20 0 EHADLO Cc1nc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c2c([nH+]1)CCCC2 ZINC000302103557 1027054082 /nfs/dbraw/zinc/05/40/82/1027054082.db2.gz QWYXEVKNPXVDLA-BFUOFWGJSA-N 1 2 341.430 3.769 20 0 EHADLO CCCC1(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCC1 ZINC000468260865 1027062906 /nfs/dbraw/zinc/06/29/06/1027062906.db2.gz MGOWTPLASRFHDM-UHFFFAOYSA-N 1 2 345.512 3.963 20 0 EHADLO CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000342792580 1027082957 /nfs/dbraw/zinc/08/29/57/1027082957.db2.gz WUOOFMQIBLPEOK-XIKOKIGWSA-N 1 2 330.407 3.626 20 0 EHADLO CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000342792580 1027082967 /nfs/dbraw/zinc/08/29/67/1027082967.db2.gz WUOOFMQIBLPEOK-XIKOKIGWSA-N 1 2 330.407 3.626 20 0 EHADLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1nc(N)c2ccccc2n1 ZINC000043644240 1027089409 /nfs/dbraw/zinc/08/94/09/1027089409.db2.gz XNAVRWSYOHYCJP-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1nc(N)c2ccccc2n1 ZINC000043644240 1027089414 /nfs/dbraw/zinc/08/94/14/1027089414.db2.gz XNAVRWSYOHYCJP-UHFFFAOYSA-N 1 2 346.356 3.863 20 0 EHADLO CC(C)c1cc(N2CCSC3(CCOCC3)C2)nc(C(C)C)[nH+]1 ZINC000302237569 1027104322 /nfs/dbraw/zinc/10/43/22/1027104322.db2.gz GPYLPECXZCAWRE-UHFFFAOYSA-N 1 2 335.517 3.826 20 0 EHADLO CC(C)Cc1nsc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000302248320 1027110074 /nfs/dbraw/zinc/11/00/74/1027110074.db2.gz VETZGKGCRUIVRO-UHFFFAOYSA-N 1 2 331.489 3.734 20 0 EHADLO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)cc4c3OCC4)nc12 ZINC000272868314 1027156004 /nfs/dbraw/zinc/15/60/04/1027156004.db2.gz SDSYVMZUZYEOAH-UHFFFAOYSA-N 1 2 327.815 3.521 20 0 EHADLO Cc1cc(C)c2c(c1)CN(c1[nH+]cnc3c1cnn3C(C)(C)C)CC2 ZINC000302483169 1027164309 /nfs/dbraw/zinc/16/43/09/1027164309.db2.gz RNTVJGZHZADZRN-UHFFFAOYSA-N 1 2 335.455 3.761 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075556634 1027170692 /nfs/dbraw/zinc/17/06/92/1027170692.db2.gz KWWLIYIWKRGMRR-HNNXBMFYSA-N 1 2 329.469 3.607 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)c1 ZINC000272908632 1027173279 /nfs/dbraw/zinc/17/32/79/1027173279.db2.gz HDVNWNWCDGYQFH-UHFFFAOYSA-N 1 2 329.444 3.719 20 0 EHADLO CCC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000075579547 1027174899 /nfs/dbraw/zinc/17/48/99/1027174899.db2.gz SQSMVJCSGPJHSO-SFHVURJKSA-N 1 2 340.471 3.603 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000075613249 1027181134 /nfs/dbraw/zinc/18/11/34/1027181134.db2.gz XCWKASPBOVNPEZ-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000075613249 1027181137 /nfs/dbraw/zinc/18/11/37/1027181137.db2.gz XCWKASPBOVNPEZ-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000126289602 1027181620 /nfs/dbraw/zinc/18/16/20/1027181620.db2.gz SGMAGEAWNNHJCJ-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000126289602 1027181628 /nfs/dbraw/zinc/18/16/28/1027181628.db2.gz SGMAGEAWNNHJCJ-KRWDZBQOSA-N 1 2 335.350 3.567 20 0 EHADLO COc1cccc2c(NCCc3ccc(NC(C)=O)cc3)cc[nH+]c12 ZINC000302550001 1027188236 /nfs/dbraw/zinc/18/82/36/1027188236.db2.gz PYGOONWFRMNJDF-UHFFFAOYSA-N 1 2 335.407 3.856 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075831909 1027229576 /nfs/dbraw/zinc/22/95/76/1027229576.db2.gz SHMOPANKDBDGRG-GOSISDBHSA-N 1 2 344.499 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)c(C)c1 ZINC000075831909 1027229590 /nfs/dbraw/zinc/22/95/90/1027229590.db2.gz SHMOPANKDBDGRG-GOSISDBHSA-N 1 2 344.499 3.974 20 0 EHADLO Fc1cccc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)ncnc12 ZINC000302676698 1027234663 /nfs/dbraw/zinc/23/46/63/1027234663.db2.gz NCOINYSBBBASOZ-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1C ZINC000273090148 1027264180 /nfs/dbraw/zinc/26/41/80/1027264180.db2.gz JIWUJFPPYZAGQP-SFHVURJKSA-N 1 2 347.405 3.916 20 0 EHADLO CC(C)c1nnc(C[NH2+]C(C)(C)c2ccc(Br)cc2)o1 ZINC000076292569 1027268777 /nfs/dbraw/zinc/26/87/77/1027268777.db2.gz RKURQCQIQXKTDH-UHFFFAOYSA-N 1 2 338.249 3.980 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)s2)cc1OCC ZINC000273128810 1027277458 /nfs/dbraw/zinc/27/74/58/1027277458.db2.gz IKJVVMXAPVBJTM-GFCCVEGCSA-N 1 2 335.473 3.749 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000127148186 1027279217 /nfs/dbraw/zinc/27/92/17/1027279217.db2.gz JXBXVEGCADDWLJ-OAHLLOKOSA-N 1 2 333.501 3.637 20 0 EHADLO O=C(Nc1cccc(Cl)c1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127550423 1027321495 /nfs/dbraw/zinc/32/14/95/1027321495.db2.gz HYTZCKMBTGUAJR-GFCCVEGCSA-N 1 2 335.766 3.559 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OCCC(C)C ZINC000657567643 1027321887 /nfs/dbraw/zinc/32/18/87/1027321887.db2.gz DCBKAZFJSNKZJP-GOEBONIOSA-N 1 2 344.459 3.507 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302852131 1027327111 /nfs/dbraw/zinc/32/71/11/1027327111.db2.gz JFPHRJAOAINRJP-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO COC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302852131 1027327130 /nfs/dbraw/zinc/32/71/30/1027327130.db2.gz JFPHRJAOAINRJP-MRXNPFEDSA-N 1 2 346.862 3.920 20 0 EHADLO Cc1ccc(Nc2nc(C[NH2+][C@@H](C)c3cnn(C)c3)cs2)cc1 ZINC000273239414 1027331469 /nfs/dbraw/zinc/33/14/69/1027331469.db2.gz BBECLJKYAVNGMW-ZDUSSCGKSA-N 1 2 327.457 3.779 20 0 EHADLO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000459292336 1027338419 /nfs/dbraw/zinc/33/84/19/1027338419.db2.gz DJLNHZFFLLVEFI-KRWDZBQOSA-N 1 2 330.815 3.859 20 0 EHADLO COC(=O)c1cccnc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000459292336 1027338434 /nfs/dbraw/zinc/33/84/34/1027338434.db2.gz DJLNHZFFLLVEFI-KRWDZBQOSA-N 1 2 330.815 3.859 20 0 EHADLO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)C2CC2)n1 ZINC000273253932 1027338496 /nfs/dbraw/zinc/33/84/96/1027338496.db2.gz HPONOYKOXJSTFV-XHDPSFHLSA-N 1 2 340.452 3.640 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302886811 1027343419 /nfs/dbraw/zinc/34/34/19/1027343419.db2.gz LPKIHCKREXOPIE-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302886811 1027343434 /nfs/dbraw/zinc/34/34/34/1027343434.db2.gz LPKIHCKREXOPIE-HNNXBMFYSA-N 1 2 328.485 3.820 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000076724822 1027346474 /nfs/dbraw/zinc/34/64/74/1027346474.db2.gz MAIJAQCJKVHELX-AWEZNQCLSA-N 1 2 347.434 3.761 20 0 EHADLO Cc1cccc([C@@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302888256 1027346955 /nfs/dbraw/zinc/34/69/55/1027346955.db2.gz MRLGXQMNFHYAQU-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO Cc1cccc([C@@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302888256 1027346974 /nfs/dbraw/zinc/34/69/74/1027346974.db2.gz MRLGXQMNFHYAQU-KRWDZBQOSA-N 1 2 340.496 3.680 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)c2ncnn21 ZINC000657567336 1027348721 /nfs/dbraw/zinc/34/87/21/1027348721.db2.gz PZINVGYGVRCCTO-KXBFYZLASA-N 1 2 334.423 3.653 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)c2ncnn21 ZINC000657567334 1027349523 /nfs/dbraw/zinc/34/95/23/1027349523.db2.gz PZINVGYGVRCCTO-DNVCBOLYSA-N 1 2 334.423 3.653 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)oc1C ZINC000127926956 1027377443 /nfs/dbraw/zinc/37/74/43/1027377443.db2.gz KRESWGRXGSJAKR-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103306652 1027418158 /nfs/dbraw/zinc/41/81/58/1027418158.db2.gz KPKJTRVXCIOHFD-ROUUACIJSA-N 1 2 344.503 3.564 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000128631872 1027460817 /nfs/dbraw/zinc/46/08/17/1027460817.db2.gz MSXCZMXBZSUNSO-CQSZACIVSA-N 1 2 332.444 3.715 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccccc2OC(F)F)c[nH+]1 ZINC000454229719 1027498175 /nfs/dbraw/zinc/49/81/75/1027498175.db2.gz QDGLJIKOXVKBML-CYBMUJFWSA-N 1 2 349.381 3.860 20 0 EHADLO CC[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccncc1 ZINC000453187862 1027511497 /nfs/dbraw/zinc/51/14/97/1027511497.db2.gz DIPUVMKSPCAUOY-RVKKMQEKSA-N 1 2 326.444 3.653 20 0 EHADLO Cc1cc(OCC[NH+]2CCN(CC(F)(F)F)CC2)ccc1C(C)C ZINC000501780492 1027530643 /nfs/dbraw/zinc/53/06/43/1027530643.db2.gz NCFFWWYFEQPLPK-UHFFFAOYSA-N 1 2 344.421 3.677 20 0 EHADLO CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129327213 1027547610 /nfs/dbraw/zinc/54/76/10/1027547610.db2.gz LXLNVLMDHFWJTI-HNNXBMFYSA-N 1 2 344.480 3.666 20 0 EHADLO CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129327385 1027547776 /nfs/dbraw/zinc/54/77/76/1027547776.db2.gz LXLNVLMDHFWJTI-OAHLLOKOSA-N 1 2 344.480 3.666 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000507193948 1027561201 /nfs/dbraw/zinc/56/12/01/1027561201.db2.gz WGUGDDUXBZRONO-JTQLQIEISA-N 1 2 333.304 3.917 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000507193948 1027561208 /nfs/dbraw/zinc/56/12/08/1027561208.db2.gz WGUGDDUXBZRONO-JTQLQIEISA-N 1 2 333.304 3.917 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)s1 ZINC000273687273 1027561834 /nfs/dbraw/zinc/56/18/34/1027561834.db2.gz LHPXGECWPWYWRC-VXGBXAGGSA-N 1 2 340.452 3.678 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@H](C)C1 ZINC001236850610 1125063279 /nfs/dbraw/zinc/06/32/79/1125063279.db2.gz GZUOJZIANNWPRW-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@H](C)C1 ZINC001236850610 1125063287 /nfs/dbraw/zinc/06/32/87/1125063287.db2.gz GZUOJZIANNWPRW-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1OC ZINC000314768004 1027569491 /nfs/dbraw/zinc/56/94/91/1027569491.db2.gz ALDSSUQAEQFRGY-AAEUAGOBSA-N 1 2 334.441 3.740 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000459317243 1027576847 /nfs/dbraw/zinc/57/68/47/1027576847.db2.gz BOBUZCYEQJDPRE-UHFFFAOYSA-N 1 2 339.464 3.846 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000459317243 1027576858 /nfs/dbraw/zinc/57/68/58/1027576858.db2.gz BOBUZCYEQJDPRE-UHFFFAOYSA-N 1 2 339.464 3.846 20 0 EHADLO CCOCc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129608110 1027581362 /nfs/dbraw/zinc/58/13/62/1027581362.db2.gz YXOUHEIVQHHABC-MAUKXSAKSA-N 1 2 342.443 3.535 20 0 EHADLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1C ZINC000129978704 1027622494 /nfs/dbraw/zinc/62/24/94/1027622494.db2.gz GOXYDKNOZSCLRJ-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)cc(C)[nH+]1 ZINC000422216502 1027653698 /nfs/dbraw/zinc/65/36/98/1027653698.db2.gz VIESGJNBNODVAE-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CC4(CCOCC4)[C@H]3c3ccco3)c2c1C ZINC000664308085 1027676738 /nfs/dbraw/zinc/67/67/38/1027676738.db2.gz VFNOCWIQMFMIOT-MRXNPFEDSA-N 1 2 338.411 3.526 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130652679 1027690557 /nfs/dbraw/zinc/69/05/57/1027690557.db2.gz VSGDTEKCBLAGRO-DLBZAZTESA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130652679 1027690559 /nfs/dbraw/zinc/69/05/59/1027690559.db2.gz VSGDTEKCBLAGRO-DLBZAZTESA-N 1 2 343.471 3.604 20 0 EHADLO Nc1cc(CNc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc[nH+]1 ZINC001167616719 1027692310 /nfs/dbraw/zinc/69/23/10/1027692310.db2.gz NOLUSRKRQMFOSN-UHFFFAOYSA-N 1 2 343.390 3.993 20 0 EHADLO Nc1cc(CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc[nH+]1 ZINC001167617343 1027710071 /nfs/dbraw/zinc/71/00/71/1027710071.db2.gz ZPVYHHGVASIBLY-UHFFFAOYSA-N 1 2 346.434 3.847 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000078360626 1027718746 /nfs/dbraw/zinc/71/87/46/1027718746.db2.gz MCYXKNJPXVKZQL-GOSISDBHSA-N 1 2 337.448 3.970 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000475587777 1027720283 /nfs/dbraw/zinc/72/02/83/1027720283.db2.gz KMYZGVAJDSTDAG-HNAYVOBHSA-N 1 2 329.415 3.693 20 0 EHADLO Nc1cc(CNc2nnc(-c3cccs3)c3ccccc23)cc[nH+]1 ZINC001167617751 1027725978 /nfs/dbraw/zinc/72/59/78/1027725978.db2.gz YVVRFAFHQDQEKC-UHFFFAOYSA-N 1 2 333.420 3.948 20 0 EHADLO Nc1cc(CNc2nc3cc(Br)ccc3s2)cc[nH+]1 ZINC001167617863 1027726972 /nfs/dbraw/zinc/72/69/72/1027726972.db2.gz YRHJFHJUJNZYFG-UHFFFAOYSA-N 1 2 335.230 3.648 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)o1 ZINC000131055554 1027732465 /nfs/dbraw/zinc/73/24/65/1027732465.db2.gz IUUJXEBFABZMMF-AWEZNQCLSA-N 1 2 345.424 3.875 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)o1 ZINC000131055554 1027732486 /nfs/dbraw/zinc/73/24/86/1027732486.db2.gz IUUJXEBFABZMMF-AWEZNQCLSA-N 1 2 345.424 3.875 20 0 EHADLO CCCn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cn1 ZINC000131059810 1027733422 /nfs/dbraw/zinc/73/34/22/1027733422.db2.gz ACSRKVYJTKNIFU-UHFFFAOYSA-N 1 2 325.412 3.794 20 0 EHADLO CCCn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cn1 ZINC000131059810 1027733442 /nfs/dbraw/zinc/73/34/42/1027733442.db2.gz ACSRKVYJTKNIFU-UHFFFAOYSA-N 1 2 325.412 3.794 20 0 EHADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)on1 ZINC000582794034 1027737925 /nfs/dbraw/zinc/73/79/25/1027737925.db2.gz ZLRUMZRHBIPPFG-HNNXBMFYSA-N 1 2 336.844 3.897 20 0 EHADLO CC(=O)c1cc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)on1 ZINC000582794034 1027737941 /nfs/dbraw/zinc/73/79/41/1027737941.db2.gz ZLRUMZRHBIPPFG-HNNXBMFYSA-N 1 2 336.844 3.897 20 0 EHADLO CSc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000119610045 1027744315 /nfs/dbraw/zinc/74/43/15/1027744315.db2.gz VECRRYUFVKBRBE-UHFFFAOYSA-N 1 2 333.432 3.565 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000420793002 1027752722 /nfs/dbraw/zinc/75/27/22/1027752722.db2.gz JJROBFRGZIHEMI-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCCC3)n2)cc1C ZINC000029117861 1027765366 /nfs/dbraw/zinc/76/53/66/1027765366.db2.gz WQJOZGPCZPXTDG-UHFFFAOYSA-N 1 2 329.469 3.770 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCCCc2ccccc2)cc(C)[nH+]1 ZINC000420843759 1027787252 /nfs/dbraw/zinc/78/72/52/1027787252.db2.gz FWIIVHMNRHMXQR-UHFFFAOYSA-N 1 2 325.456 3.863 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420845855 1027789316 /nfs/dbraw/zinc/78/93/16/1027789316.db2.gz IMAWGUGFKQXLCO-LJQANCHMSA-N 1 2 337.467 3.863 20 0 EHADLO Cc1cccc([C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C)c1 ZINC000153389411 1027790250 /nfs/dbraw/zinc/79/02/50/1027790250.db2.gz UKJYCRDARGQKCM-SJLPKXTDSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(c3ccsc3)CC2)cc(C)[nH+]1 ZINC000420851422 1027795340 /nfs/dbraw/zinc/79/53/40/1027795340.db2.gz QZHWMMXHUXGQBL-UHFFFAOYSA-N 1 2 329.469 3.849 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](c3ccccc3F)C2)cc(C)[nH+]1 ZINC000420852835 1027798405 /nfs/dbraw/zinc/79/84/05/1027798405.db2.gz STXIGTMGUUBCOR-INIZCTEOSA-N 1 2 327.403 3.537 20 0 EHADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000503452822 1027799664 /nfs/dbraw/zinc/79/96/64/1027799664.db2.gz NCYWFZMJKMVGLC-MSOLQXFVSA-N 1 2 344.503 3.696 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H](CC(F)(F)F)C2)cc(C)[nH+]1 ZINC000420856571 1027802466 /nfs/dbraw/zinc/80/24/66/1027802466.db2.gz GASOGXFUGXMJME-ZDUSSCGKSA-N 1 2 329.366 3.572 20 0 EHADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000153386337 1027804364 /nfs/dbraw/zinc/80/43/64/1027804364.db2.gz BDDSMNSRVUDGLI-HNNXBMFYSA-N 1 2 342.487 3.873 20 0 EHADLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000305177303 1027821409 /nfs/dbraw/zinc/82/14/09/1027821409.db2.gz MCBYKOUMUZMIGI-SFHVURJKSA-N 1 2 342.351 3.517 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352817 1027857561 /nfs/dbraw/zinc/85/75/61/1027857561.db2.gz WETLPYMWESNDTE-VLIAUNLRSA-N 1 2 345.414 3.892 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000459352817 1027857575 /nfs/dbraw/zinc/85/75/75/1027857575.db2.gz WETLPYMWESNDTE-VLIAUNLRSA-N 1 2 345.414 3.892 20 0 EHADLO c1cc(C[C@@H]2CC[N@H+](Cc3noc(C4CCCCC4)n3)C2)ccn1 ZINC000359864178 1027860188 /nfs/dbraw/zinc/86/01/88/1027860188.db2.gz AFEWGBPWVHMCDE-INIZCTEOSA-N 1 2 326.444 3.577 20 0 EHADLO c1cc(C[C@@H]2CC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)ccn1 ZINC000359864178 1027860210 /nfs/dbraw/zinc/86/02/10/1027860210.db2.gz AFEWGBPWVHMCDE-INIZCTEOSA-N 1 2 326.444 3.577 20 0 EHADLO CCCOc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1OC ZINC000420931734 1027882055 /nfs/dbraw/zinc/88/20/55/1027882055.db2.gz GWQAQGUEJSZPLN-LBPRGKRZSA-N 1 2 337.851 3.722 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H](C(=O)OC)[C@H](C)C3)cc[nH+]c12 ZINC000503550651 1027884348 /nfs/dbraw/zinc/88/43/48/1027884348.db2.gz IGUYZYFNPSXQHN-HUUCEWRRSA-N 1 2 342.439 3.659 20 0 EHADLO OC[C@@]1([NH2+]Cc2csc(C3CCCC3)n2)CCc2ccccc21 ZINC000132355215 1027915203 /nfs/dbraw/zinc/91/52/03/1027915203.db2.gz IRZJUGVEMXDCJE-IBGZPJMESA-N 1 2 328.481 3.724 20 0 EHADLO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccsc1 ZINC000523138496 1027924258 /nfs/dbraw/zinc/92/42/58/1027924258.db2.gz WLBHHUYAQPDHGX-ZGRWHYIRSA-N 1 2 340.492 3.709 20 0 EHADLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@@H](CC)O1 ZINC000420966576 1027935767 /nfs/dbraw/zinc/93/57/67/1027935767.db2.gz ZWWWPIJCEUKTTN-RCCFBDPRSA-N 1 2 332.488 3.828 20 0 EHADLO Cc1ocnc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000277927790 1027944894 /nfs/dbraw/zinc/94/48/94/1027944894.db2.gz DFPUJWNNXAXSLF-AWEZNQCLSA-N 1 2 328.347 3.509 20 0 EHADLO Cc1ocnc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000277927790 1027944905 /nfs/dbraw/zinc/94/49/05/1027944905.db2.gz DFPUJWNNXAXSLF-AWEZNQCLSA-N 1 2 328.347 3.509 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CCC(F)(F)F)C2=O)c1 ZINC000533490143 1027951291 /nfs/dbraw/zinc/95/12/91/1027951291.db2.gz IPNVJQSSKCEEGU-ZDUSSCGKSA-N 1 2 332.341 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CCC(F)(F)F)C2=O)c1 ZINC000533490143 1027951303 /nfs/dbraw/zinc/95/13/03/1027951303.db2.gz IPNVJQSSKCEEGU-ZDUSSCGKSA-N 1 2 332.341 3.514 20 0 EHADLO Clc1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421010342 1027962341 /nfs/dbraw/zinc/96/23/41/1027962341.db2.gz COGPTPLYRZUDLP-LJQANCHMSA-N 1 2 344.842 3.679 20 0 EHADLO Clc1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421010342 1027962353 /nfs/dbraw/zinc/96/23/53/1027962353.db2.gz COGPTPLYRZUDLP-LJQANCHMSA-N 1 2 344.842 3.679 20 0 EHADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(C)c[nH+]1 ZINC000536620592 1027965567 /nfs/dbraw/zinc/96/55/67/1027965567.db2.gz AINDSRVHFWZONF-IAQYHMDHSA-N 1 2 333.794 3.590 20 0 EHADLO CCC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C(C)(C)C ZINC000455304979 1027984884 /nfs/dbraw/zinc/98/48/84/1027984884.db2.gz OZRWUXNNSAYVJX-AEFFLSMTSA-N 1 2 346.519 3.685 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)CCCc3cccnc3)ccc2[nH+]1 ZINC000459365187 1027996512 /nfs/dbraw/zinc/99/65/12/1027996512.db2.gz BEGWVKJTWRNNJC-AWEZNQCLSA-N 1 2 337.427 3.571 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000444585178 1028066058 /nfs/dbraw/zinc/06/60/58/1028066058.db2.gz XPXSRIZCFBCZIO-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000444585178 1028066078 /nfs/dbraw/zinc/06/60/78/1028066078.db2.gz XPXSRIZCFBCZIO-UHFFFAOYSA-N 1 2 341.386 3.906 20 0 EHADLO CCC[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000078683905 1028093136 /nfs/dbraw/zinc/09/31/36/1028093136.db2.gz JBSYZXPHQVMSFJ-IBGZPJMESA-N 1 2 337.467 3.882 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc(C)[nH+]1 ZINC000421101228 1028105862 /nfs/dbraw/zinc/10/58/62/1028105862.db2.gz SGIIAAAXIOGGKW-HNNXBMFYSA-N 1 2 329.448 3.824 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nncn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000444647697 1028110983 /nfs/dbraw/zinc/11/09/83/1028110983.db2.gz LVOABLVYUZCOHY-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000444647697 1028110996 /nfs/dbraw/zinc/11/09/96/1028110996.db2.gz LVOABLVYUZCOHY-FOIQADDNSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652000 1028114071 /nfs/dbraw/zinc/11/40/71/1028114071.db2.gz QSNWHGXHNJBAGT-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652000 1028114083 /nfs/dbraw/zinc/11/40/83/1028114083.db2.gz QSNWHGXHNJBAGT-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000502335206 1028121002 /nfs/dbraw/zinc/12/10/02/1028121002.db2.gz AXICGGRVWJYUPT-SHRNQRGKSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000502335206 1028121012 /nfs/dbraw/zinc/12/10/12/1028121012.db2.gz AXICGGRVWJYUPT-SHRNQRGKSA-N 1 2 341.373 3.600 20 0 EHADLO CC(C)(C)C(=O)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000078713239 1028121144 /nfs/dbraw/zinc/12/11/44/1028121144.db2.gz LZHVHTKXPAYGSZ-UHFFFAOYSA-N 1 2 342.443 3.714 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000582874606 1028129848 /nfs/dbraw/zinc/12/98/48/1028129848.db2.gz SYCQIDTVKFDHOR-GOSISDBHSA-N 1 2 330.428 3.955 20 0 EHADLO CC1=NN(c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000052927099 1028140686 /nfs/dbraw/zinc/14/06/86/1028140686.db2.gz DFCDZKNTISEVDC-UHFFFAOYSA-N 1 2 345.406 3.711 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCC1 ZINC000052908844 1028141386 /nfs/dbraw/zinc/14/13/86/1028141386.db2.gz JTGOCFBQCRTWIY-UHFFFAOYSA-N 1 2 348.447 3.694 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCC1 ZINC000052908844 1028141394 /nfs/dbraw/zinc/14/13/94/1028141394.db2.gz JTGOCFBQCRTWIY-UHFFFAOYSA-N 1 2 348.447 3.694 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1C ZINC000548777965 1028158234 /nfs/dbraw/zinc/15/82/34/1028158234.db2.gz FVKYZNJSUUWZKM-INMHGKMJSA-N 1 2 341.459 3.520 20 0 EHADLO CC(C)(C)C1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000548777976 1028160304 /nfs/dbraw/zinc/16/03/04/1028160304.db2.gz GMOSIFMOSREATP-UHFFFAOYSA-N 1 2 341.459 3.616 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444693510 1028167909 /nfs/dbraw/zinc/16/79/09/1028167909.db2.gz ACTBPMAZQOZCOT-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444693510 1028167918 /nfs/dbraw/zinc/16/79/18/1028167918.db2.gz ACTBPMAZQOZCOT-UHFFFAOYSA-N 1 2 338.785 3.997 20 0 EHADLO Cc1c(-c2cc(C[N@H+](C)Cc3cc(Cl)ccc3F)on2)cnn1C ZINC000444700081 1028172382 /nfs/dbraw/zinc/17/23/82/1028172382.db2.gz UQBVCNDIFDNVSD-UHFFFAOYSA-N 1 2 348.809 3.808 20 0 EHADLO Cc1c(-c2cc(C[N@@H+](C)Cc3cc(Cl)ccc3F)on2)cnn1C ZINC000444700081 1028172391 /nfs/dbraw/zinc/17/23/91/1028172391.db2.gz UQBVCNDIFDNVSD-UHFFFAOYSA-N 1 2 348.809 3.808 20 0 EHADLO [NH3+][C@@H](C(=O)Nc1cccc(COC2CCCCC2)c1)c1cscn1 ZINC000423087559 1028174028 /nfs/dbraw/zinc/17/40/28/1028174028.db2.gz PTGJYPHMAXVGTM-QGZVFWFLSA-N 1 2 345.468 3.631 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@H+](C)Cc2cc(Cl)ccc2F)c1 ZINC000444701340 1028175914 /nfs/dbraw/zinc/17/59/14/1028175914.db2.gz PNDMAVLDAZBQTK-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2F)c1 ZINC000444701340 1028175921 /nfs/dbraw/zinc/17/59/21/1028175921.db2.gz PNDMAVLDAZBQTK-UHFFFAOYSA-N 1 2 334.822 3.813 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000444734359 1028199981 /nfs/dbraw/zinc/19/99/81/1028199981.db2.gz NBUSDCJNLADBOX-LSDHHAIUSA-N 1 2 346.421 3.971 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000444734359 1028199983 /nfs/dbraw/zinc/19/99/83/1028199983.db2.gz NBUSDCJNLADBOX-LSDHHAIUSA-N 1 2 346.421 3.971 20 0 EHADLO COc1cc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1 ZINC000455470158 1028202403 /nfs/dbraw/zinc/20/24/03/1028202403.db2.gz HYZSLSCQEFUDQJ-UHFFFAOYSA-N 1 2 343.427 3.688 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000135631814 1028210267 /nfs/dbraw/zinc/21/02/67/1028210267.db2.gz NAJVOABGAQSRRN-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000135631814 1028210282 /nfs/dbraw/zinc/21/02/82/1028210282.db2.gz NAJVOABGAQSRRN-MRXNPFEDSA-N 1 2 340.402 3.724 20 0 EHADLO C[C@H]1C[C@H](CSCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000421226442 1028210219 /nfs/dbraw/zinc/21/02/19/1028210219.db2.gz OLSHTSCRKCACBO-QFBILLFUSA-N 1 2 335.513 3.567 20 0 EHADLO Nc1c(F)cnc(Br)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086205 1028212565 /nfs/dbraw/zinc/21/25/65/1028212565.db2.gz JQLXEFPAIQTVSK-UHFFFAOYSA-N 1 2 348.179 3.699 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(C)[nH+]1 ZINC000455494364 1028226582 /nfs/dbraw/zinc/22/65/82/1028226582.db2.gz DVOXWBBVEPFWAG-UHFFFAOYSA-N 1 2 329.448 3.691 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCCC12CCC2)c1cc(Cl)ccc1Cl ZINC000444782295 1028245928 /nfs/dbraw/zinc/24/59/28/1028245928.db2.gz INNSPWDAZDKPII-UHFFFAOYSA-N 1 2 348.295 3.786 20 0 EHADLO O=S(=O)(CC[N@H+]1CCCC12CCC2)c1cc(Cl)ccc1Cl ZINC000444782295 1028245938 /nfs/dbraw/zinc/24/59/38/1028245938.db2.gz INNSPWDAZDKPII-UHFFFAOYSA-N 1 2 348.295 3.786 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccnc(OC(C)C)c2)c(C)[nH+]1 ZINC000455485682 1028251980 /nfs/dbraw/zinc/25/19/80/1028251980.db2.gz KDIHVWHDFMHLTM-UHFFFAOYSA-N 1 2 328.416 3.511 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000055057853 1028256332 /nfs/dbraw/zinc/25/63/32/1028256332.db2.gz DTFJFWGHJMMYPU-LLVKDONJSA-N 1 2 338.354 3.648 20 0 EHADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000055057853 1028256351 /nfs/dbraw/zinc/25/63/51/1028256351.db2.gz DTFJFWGHJMMYPU-LLVKDONJSA-N 1 2 338.354 3.648 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2=CC[C@@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000455491609 1028261391 /nfs/dbraw/zinc/26/13/91/1028261391.db2.gz YRIJOMIIGIKYIM-HZPDHXFCSA-N 1 2 328.456 3.765 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000502521857 1028285106 /nfs/dbraw/zinc/28/51/06/1028285106.db2.gz HXYPKMGBFKFBDG-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000502521857 1028285125 /nfs/dbraw/zinc/28/51/25/1028285125.db2.gz HXYPKMGBFKFBDG-HNNXBMFYSA-N 1 2 326.415 3.625 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCc3c(F)cc(F)cc3C2)c(C)[nH+]1 ZINC000455507982 1028287106 /nfs/dbraw/zinc/28/71/06/1028287106.db2.gz ZQOYMOSFFJFFOK-UHFFFAOYSA-N 1 2 331.366 3.875 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423221114 1028287288 /nfs/dbraw/zinc/28/72/88/1028287288.db2.gz WGNRTTRKWYVRDH-PJIJBLCYSA-N 1 2 344.405 3.678 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)NCc1ccco1 ZINC000444793244 1028289127 /nfs/dbraw/zinc/28/91/27/1028289127.db2.gz HAFOWEMMVQCIGM-KRWDZBQOSA-N 1 2 332.831 3.776 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1)NCc1ccco1 ZINC000444793244 1028289145 /nfs/dbraw/zinc/28/91/45/1028289145.db2.gz HAFOWEMMVQCIGM-KRWDZBQOSA-N 1 2 332.831 3.776 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423230119 1028297606 /nfs/dbraw/zinc/29/76/06/1028297606.db2.gz IRORIOKZWCVOIW-HNNXBMFYSA-N 1 2 335.498 3.732 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3cc(C)ccc3C)CC2)n1 ZINC000066437265 1028321511 /nfs/dbraw/zinc/32/15/11/1028321511.db2.gz SDRXTMXXLVLMGX-OAHLLOKOSA-N 1 2 329.444 3.853 20 0 EHADLO CCC[N@H+](Cc1oc(CC)nc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000428380060 1028331335 /nfs/dbraw/zinc/33/13/35/1028331335.db2.gz KSSYXEVTGZBYIL-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1oc(CC)nc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000428380060 1028331350 /nfs/dbraw/zinc/33/13/50/1028331350.db2.gz KSSYXEVTGZBYIL-OAHLLOKOSA-N 1 2 329.444 3.785 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502547006 1028333830 /nfs/dbraw/zinc/33/38/30/1028333830.db2.gz SJMQRPVSEWMZNH-HZPDHXFCSA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502547006 1028333849 /nfs/dbraw/zinc/33/38/49/1028333849.db2.gz SJMQRPVSEWMZNH-HZPDHXFCSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CCCC23CCC3)c1)[NH+]1CCOCC1 ZINC000444903763 1028386601 /nfs/dbraw/zinc/38/66/01/1028386601.db2.gz OPJWAIJEIZZZNR-MRXNPFEDSA-N 1 2 343.471 3.630 20 0 EHADLO O=C(NCCc1ccc(F)cc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354331360 1028389699 /nfs/dbraw/zinc/38/96/99/1028389699.db2.gz LVCDEINXWVPZFB-UHFFFAOYSA-N 1 2 343.789 3.637 20 0 EHADLO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423362023 1028390658 /nfs/dbraw/zinc/39/06/58/1028390658.db2.gz XIZJXQRQXBWSNM-OALUTQOASA-N 1 2 336.414 3.888 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193979 1028424673 /nfs/dbraw/zinc/42/46/73/1028424673.db2.gz FVTYMEWIMHDNAW-KBPBESRZSA-N 1 2 332.394 3.663 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F)c1ccc(F)cc1 ZINC000069193979 1028424681 /nfs/dbraw/zinc/42/46/81/1028424681.db2.gz FVTYMEWIMHDNAW-KBPBESRZSA-N 1 2 332.394 3.663 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](NC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000070057243 1028450147 /nfs/dbraw/zinc/45/01/47/1028450147.db2.gz GSILBWGNDGUOLR-KRWDZBQOSA-N 1 2 340.427 3.634 20 0 EHADLO FC(F)(F)c1csc(C[NH+]2CCC(C3CCOCC3)CC2)n1 ZINC000153655485 1028492077 /nfs/dbraw/zinc/49/20/77/1028492077.db2.gz CDJWSXMLGVMGCD-UHFFFAOYSA-N 1 2 334.407 3.801 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635543 1028505906 /nfs/dbraw/zinc/50/59/06/1028505906.db2.gz HFILSFJGVJBTQE-HZPDHXFCSA-N 1 2 340.467 3.856 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000523635543 1028505918 /nfs/dbraw/zinc/50/59/18/1028505918.db2.gz HFILSFJGVJBTQE-HZPDHXFCSA-N 1 2 340.467 3.856 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000475926759 1028512402 /nfs/dbraw/zinc/51/24/02/1028512402.db2.gz OICHEDHPHASXSQ-CABCVRRESA-N 1 2 349.544 3.772 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000475926759 1028512410 /nfs/dbraw/zinc/51/24/10/1028512410.db2.gz OICHEDHPHASXSQ-CABCVRRESA-N 1 2 349.544 3.772 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000455568916 1028519010 /nfs/dbraw/zinc/51/90/10/1028519010.db2.gz JTJKYMKYKKEIRC-IBGZPJMESA-N 1 2 345.393 3.618 20 0 EHADLO CCCCC/C(=C/c1ccccc1)C[NH2+]Cc1nc2ncccn2n1 ZINC000414530981 1028538021 /nfs/dbraw/zinc/53/80/21/1028538021.db2.gz SEZCNLSRBXOPLE-JXAWBTAJSA-N 1 2 335.455 3.878 20 0 EHADLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475621456 1028544347 /nfs/dbraw/zinc/54/43/47/1028544347.db2.gz PNKHOFVUFKJNHI-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000475621456 1028544355 /nfs/dbraw/zinc/54/43/55/1028544355.db2.gz PNKHOFVUFKJNHI-INIZCTEOSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc(C)[nH+]1 ZINC000421578408 1028572408 /nfs/dbraw/zinc/57/24/08/1028572408.db2.gz RAAZMOVTGJWUAU-KBPBESRZSA-N 1 2 334.341 3.536 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000532718786 1028572857 /nfs/dbraw/zinc/57/28/57/1028572857.db2.gz OLIWGPXFXSMTAJ-HNNXBMFYSA-N 1 2 341.377 3.679 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000532718786 1028572868 /nfs/dbraw/zinc/57/28/68/1028572868.db2.gz OLIWGPXFXSMTAJ-HNNXBMFYSA-N 1 2 341.377 3.679 20 0 EHADLO CC(C)Sc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000195143312 1028587147 /nfs/dbraw/zinc/58/71/47/1028587147.db2.gz WZPHXQMJYLIUQP-UHFFFAOYSA-N 1 2 329.469 3.861 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423787206 1028611616 /nfs/dbraw/zinc/61/16/16/1028611616.db2.gz UUYBTPDGAUWTJC-WTANOLMUSA-N 1 2 344.405 3.759 20 0 EHADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000074604473 1028625991 /nfs/dbraw/zinc/62/59/91/1028625991.db2.gz XIAQXFZKQPDCRT-HXUWFJFHSA-N 1 2 331.419 3.502 20 0 EHADLO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1csnn1 ZINC000122378652 1028630777 /nfs/dbraw/zinc/63/07/77/1028630777.db2.gz PFIIGAMFAMFYPT-UHFFFAOYSA-N 1 2 341.484 3.773 20 0 EHADLO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1csnn1 ZINC000122378652 1028630784 /nfs/dbraw/zinc/63/07/84/1028630784.db2.gz PFIIGAMFAMFYPT-UHFFFAOYSA-N 1 2 341.484 3.773 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428568302 1028690200 /nfs/dbraw/zinc/69/02/00/1028690200.db2.gz CVXGJIZMJODSMB-JKSUJKDBSA-N 1 2 332.492 3.577 20 0 EHADLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429400077 1028713500 /nfs/dbraw/zinc/71/35/00/1028713500.db2.gz NVPCNFHLEZDEIG-OAHLLOKOSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccoc1C[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429400077 1028713515 /nfs/dbraw/zinc/71/35/15/1028713515.db2.gz NVPCNFHLEZDEIG-OAHLLOKOSA-N 1 2 336.794 3.618 20 0 EHADLO CC(C)([NH2+]Cc1scnc1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000583060185 1028713542 /nfs/dbraw/zinc/71/35/42/1028713542.db2.gz PSVCJHFIFAOCGI-UHFFFAOYSA-N 1 2 339.468 3.626 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000509672915 1028716013 /nfs/dbraw/zinc/71/60/13/1028716013.db2.gz XCXWKAQEKVCAEZ-HNNXBMFYSA-N 1 2 337.529 3.772 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000509672915 1028716024 /nfs/dbraw/zinc/71/60/24/1028716024.db2.gz XCXWKAQEKVCAEZ-HNNXBMFYSA-N 1 2 337.529 3.772 20 0 EHADLO Cc1cccc(/C=C/C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000027544796 1028718466 /nfs/dbraw/zinc/71/84/66/1028718466.db2.gz YUXGEXKLFNXRRF-MDZDMXLPSA-N 1 2 331.419 3.569 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)n2)CC1 ZINC000421746163 1028745621 /nfs/dbraw/zinc/74/56/21/1028745621.db2.gz ASNQVJIDPCEYDU-ZNMIVQPWSA-N 1 2 333.501 3.750 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000162419558 1028764832 /nfs/dbraw/zinc/76/48/32/1028764832.db2.gz GFPCQYMLOGZYQH-VXGBXAGGSA-N 1 2 338.498 3.521 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247372172 1028781355 /nfs/dbraw/zinc/78/13/55/1028781355.db2.gz HSVFNTYYKCYXAP-SCTDSRPQSA-N 1 2 340.471 3.588 20 0 EHADLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCC(F)(F)F ZINC000245538209 1028782915 /nfs/dbraw/zinc/78/29/15/1028782915.db2.gz JKWMHPDUWJQAIK-CHWSQXEVSA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1OCC(F)(F)F ZINC000245538209 1028782930 /nfs/dbraw/zinc/78/29/30/1028782930.db2.gz JKWMHPDUWJQAIK-CHWSQXEVSA-N 1 2 347.377 3.636 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000421795508 1028784480 /nfs/dbraw/zinc/78/44/80/1028784480.db2.gz ITAAWSTVJZXMPC-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000421795508 1028784496 /nfs/dbraw/zinc/78/44/96/1028784496.db2.gz ITAAWSTVJZXMPC-MSOLQXFVSA-N 1 2 348.368 3.588 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000421806307 1028792396 /nfs/dbraw/zinc/79/23/96/1028792396.db2.gz YWDNCTNBURWIPF-UHFFFAOYSA-N 1 2 329.419 3.663 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000502902674 1028831967 /nfs/dbraw/zinc/83/19/67/1028831967.db2.gz JSUBASRXRVZIBG-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000502902674 1028831985 /nfs/dbraw/zinc/83/19/85/1028831985.db2.gz JSUBASRXRVZIBG-INIZCTEOSA-N 1 2 340.442 3.712 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000445477467 1028834710 /nfs/dbraw/zinc/83/47/10/1028834710.db2.gz ANQREDAAOSFBDJ-JOCHJYFZSA-N 1 2 330.840 3.893 20 0 EHADLO COCc1nc(C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)cs1 ZINC000421856856 1028850064 /nfs/dbraw/zinc/85/00/64/1028850064.db2.gz PGDBOIFIWZCZQU-QGZVFWFLSA-N 1 2 336.432 3.678 20 0 EHADLO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)NCc1c[nH+]cn1C ZINC000458819191 1028873313 /nfs/dbraw/zinc/87/33/13/1028873313.db2.gz VGGRTZGQQQISNR-GOSISDBHSA-N 1 2 348.878 3.530 20 0 EHADLO Cc1c(F)cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000421875722 1028877218 /nfs/dbraw/zinc/87/72/18/1028877218.db2.gz HIZOGOOGPDCANY-QGZVFWFLSA-N 1 2 332.806 3.574 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611253660 1028903585 /nfs/dbraw/zinc/90/35/85/1028903585.db2.gz AKZFROHJMRXSFM-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611253660 1028903602 /nfs/dbraw/zinc/90/36/02/1028903602.db2.gz AKZFROHJMRXSFM-IBGZPJMESA-N 1 2 343.398 3.542 20 0 EHADLO CC(C)(C)c1csc(CC2CC[NH+](Cc3cnns3)CC2)n1 ZINC000639814122 1028942549 /nfs/dbraw/zinc/94/25/49/1028942549.db2.gz NNJVQKGSECRUJU-UHFFFAOYSA-N 1 2 336.530 3.747 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)s1 ZINC000076342136 1028968075 /nfs/dbraw/zinc/96/80/75/1028968075.db2.gz QCZKCFZJYKNRSC-UHFFFAOYSA-N 1 2 347.465 3.844 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)s1 ZINC000076342136 1028968090 /nfs/dbraw/zinc/96/80/90/1028968090.db2.gz QCZKCFZJYKNRSC-UHFFFAOYSA-N 1 2 347.465 3.844 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454503072 1028970942 /nfs/dbraw/zinc/97/09/42/1028970942.db2.gz VMXWWCUJZCPIRP-UHFFFAOYSA-N 1 2 340.427 3.759 20 0 EHADLO CCOC(=O)c1ccc(OC)c(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001211979228 1028981182 /nfs/dbraw/zinc/98/11/82/1028981182.db2.gz RACOBIIHEBTBCD-UHFFFAOYSA-N 1 2 325.368 3.502 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454506508 1028989114 /nfs/dbraw/zinc/98/91/14/1028989114.db2.gz KWDCCXUQRYUPRR-FCEWJHQRSA-N 1 2 345.487 3.558 20 0 EHADLO CC(C)[C@@H]1CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454506508 1028989130 /nfs/dbraw/zinc/98/91/30/1028989130.db2.gz KWDCCXUQRYUPRR-FCEWJHQRSA-N 1 2 345.487 3.558 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc([C@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350188 1028998255 /nfs/dbraw/zinc/99/82/55/1028998255.db2.gz ANNYPXIQOXETAK-GXTWGEPZSA-N 1 2 328.441 3.719 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc([C@H](C)c2nccs2)no1)c1ccccc1 ZINC000424350188 1028998267 /nfs/dbraw/zinc/99/82/67/1028998267.db2.gz ANNYPXIQOXETAK-GXTWGEPZSA-N 1 2 328.441 3.719 20 0 EHADLO C[NH+](C)[C@@H](c1nc(C2(c3ccc(F)cc3)CC2)no1)c1ccccc1 ZINC000424363082 1029015736 /nfs/dbraw/zinc/01/57/36/1029015736.db2.gz OFMZEXONINKVGE-QGZVFWFLSA-N 1 2 337.398 3.940 20 0 EHADLO Cc1ccc(OCc2cccc(C(=O)Nc3cc[nH+]c(C)c3)c2)cn1 ZINC000114351786 1029032231 /nfs/dbraw/zinc/03/22/31/1029032231.db2.gz HIZXLFXYNRMFBU-UHFFFAOYSA-N 1 2 333.391 3.925 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1F ZINC000532920164 1029072956 /nfs/dbraw/zinc/07/29/56/1029072956.db2.gz MVMKOUDFXMDSNH-LSDHHAIUSA-N 1 2 326.415 3.624 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccccc1F ZINC000532920164 1029072972 /nfs/dbraw/zinc/07/29/72/1029072972.db2.gz MVMKOUDFXMDSNH-LSDHHAIUSA-N 1 2 326.415 3.624 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)cc1 ZINC000513763056 1029074808 /nfs/dbraw/zinc/07/48/08/1029074808.db2.gz VGHYDQGVNXVCMJ-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)cc1 ZINC000513763056 1029074819 /nfs/dbraw/zinc/07/48/19/1029074819.db2.gz VGHYDQGVNXVCMJ-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CCc1ccc(-c2noc(C[NH2+][C@@H](CCO)c3ccccc3)n2)cc1 ZINC000271736969 1029144718 /nfs/dbraw/zinc/14/47/18/1029144718.db2.gz ZSDBLCXPIAKKGU-SFHVURJKSA-N 1 2 337.423 3.512 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000458419938 1029153056 /nfs/dbraw/zinc/15/30/56/1029153056.db2.gz ALCNCWDLIISFPX-DYVFJYSZSA-N 1 2 348.878 3.703 20 0 EHADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000271766202 1029160686 /nfs/dbraw/zinc/16/06/86/1029160686.db2.gz HGOWRJMPUHFRPO-KRWDZBQOSA-N 1 2 342.487 3.890 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000424603161 1029162233 /nfs/dbraw/zinc/16/22/33/1029162233.db2.gz WZMWQPBCEGOHGN-UHFFFAOYSA-N 1 2 327.453 3.569 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000424603161 1029162244 /nfs/dbraw/zinc/16/22/44/1029162244.db2.gz WZMWQPBCEGOHGN-UHFFFAOYSA-N 1 2 327.453 3.569 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000524410591 1029163904 /nfs/dbraw/zinc/16/39/04/1029163904.db2.gz GDZBWIUVNWVPNP-ROUUACIJSA-N 1 2 344.499 3.556 20 0 EHADLO CC[C@@H]([NH2+]Cc1occc1C(=O)OC)c1ccccc1OC(F)F ZINC000271834556 1029193638 /nfs/dbraw/zinc/19/36/38/1029193638.db2.gz XOCRRYCLNSGCNK-CYBMUJFWSA-N 1 2 339.338 3.909 20 0 EHADLO CCc1noc([C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)n1 ZINC000524448064 1029198571 /nfs/dbraw/zinc/19/85/71/1029198571.db2.gz FGCGJJBDRUFDMZ-AWEZNQCLSA-N 1 2 341.411 3.793 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424655088 1029217097 /nfs/dbraw/zinc/21/70/97/1029217097.db2.gz AUJQCCSKGQAPKL-SJLPKXTDSA-N 1 2 329.488 3.905 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000445904850 1029228298 /nfs/dbraw/zinc/22/82/98/1029228298.db2.gz UOBLHJCMQPUTGY-ZDUSSCGKSA-N 1 2 327.350 3.727 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424688771 1029236906 /nfs/dbraw/zinc/23/69/06/1029236906.db2.gz CZDZNYRKCUQAET-MSOLQXFVSA-N 1 2 347.478 3.675 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000092143924 1029247689 /nfs/dbraw/zinc/24/76/89/1029247689.db2.gz OULYSLSYTAVWOK-YJBOKZPZSA-N 1 2 349.438 3.855 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC2CCC2)c(C)c1 ZINC000533084455 1029260402 /nfs/dbraw/zinc/26/04/02/1029260402.db2.gz VPCAWYWXSMWHFC-LJQANCHMSA-N 1 2 340.471 3.683 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C=CCCC2)c(C)c1 ZINC000533069702 1029267063 /nfs/dbraw/zinc/26/70/63/1029267063.db2.gz IINDBESIJJXLTD-IEBWSBKVSA-N 1 2 338.455 3.649 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071382 1029271456 /nfs/dbraw/zinc/27/14/56/1029271456.db2.gz ZVNQHMSHAMNZRN-ZDUSSCGKSA-N 1 2 344.842 3.739 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071382 1029271472 /nfs/dbraw/zinc/27/14/72/1029271472.db2.gz ZVNQHMSHAMNZRN-ZDUSSCGKSA-N 1 2 344.842 3.739 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245770511 1029271786 /nfs/dbraw/zinc/27/17/86/1029271786.db2.gz SDMWHOZMVHRLLA-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245770511 1029271793 /nfs/dbraw/zinc/27/17/93/1029271793.db2.gz SDMWHOZMVHRLLA-WCQYABFASA-N 1 2 332.398 3.901 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(Cc3ccc(F)cc3)CC2)c[nH+]1 ZINC000454766299 1029292377 /nfs/dbraw/zinc/29/23/77/1029292377.db2.gz SQZXBMALPPTNCF-UHFFFAOYSA-N 1 2 341.430 3.660 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000272171717 1029344534 /nfs/dbraw/zinc/34/45/34/1029344534.db2.gz BZVZQXCGOVWIGR-GOSISDBHSA-N 1 2 347.462 3.735 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)C[C@@H](C)O1 ZINC000272235019 1029374595 /nfs/dbraw/zinc/37/45/95/1029374595.db2.gz UREGIJQTLDTWEN-LXWRTIBQSA-N 1 2 342.483 3.670 20 0 EHADLO COc1c(O)cccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000272236096 1029375431 /nfs/dbraw/zinc/37/54/31/1029375431.db2.gz FOPKMXGRSVOHEI-ACJLOTCBSA-N 1 2 331.387 3.502 20 0 EHADLO COc1c(O)cccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000272236096 1029375449 /nfs/dbraw/zinc/37/54/49/1029375449.db2.gz FOPKMXGRSVOHEI-ACJLOTCBSA-N 1 2 331.387 3.502 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ncc(Cl)n1C ZINC000272286051 1029398453 /nfs/dbraw/zinc/39/84/53/1029398453.db2.gz NKNIFAAQVMDCLW-JTQLQIEISA-N 1 2 329.778 3.868 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272286051 1029398466 /nfs/dbraw/zinc/39/84/66/1029398466.db2.gz NKNIFAAQVMDCLW-JTQLQIEISA-N 1 2 329.778 3.868 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000272360772 1029432288 /nfs/dbraw/zinc/43/22/88/1029432288.db2.gz BJAODSWCHOHAAR-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(Cl)ccc3Cl)n2)C1 ZINC000272360772 1029432298 /nfs/dbraw/zinc/43/22/98/1029432298.db2.gz BJAODSWCHOHAAR-CYBMUJFWSA-N 1 2 342.226 3.825 20 0 EHADLO Cc1ccc2cccc(NC(=O)NCCCCNc3cccc[nH+]3)c2n1 ZINC000114578752 1029458212 /nfs/dbraw/zinc/45/82/12/1029458212.db2.gz FQXPDQOIROZZPI-UHFFFAOYSA-N 1 2 349.438 3.952 20 0 EHADLO Cc1nc(CC(C)C)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000125391315 1029507918 /nfs/dbraw/zinc/50/79/18/1029507918.db2.gz UEFVYUGJLVVJBG-CZUORRHYSA-N 1 2 346.500 3.570 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000155408779 1029518380 /nfs/dbraw/zinc/51/83/80/1029518380.db2.gz DGMKQHHOTQYETC-JKSUJKDBSA-N 1 2 341.455 3.535 20 0 EHADLO CC[C@H](C)c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000155408779 1029518387 /nfs/dbraw/zinc/51/83/87/1029518387.db2.gz DGMKQHHOTQYETC-JKSUJKDBSA-N 1 2 341.455 3.535 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc4sccc4c3)n2)C1 ZINC000272605272 1029530709 /nfs/dbraw/zinc/53/07/09/1029530709.db2.gz HRRKTEKBQFAHFY-CQSZACIVSA-N 1 2 329.425 3.733 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc4sccc4c3)n2)C1 ZINC000272605272 1029530721 /nfs/dbraw/zinc/53/07/21/1029530721.db2.gz HRRKTEKBQFAHFY-CQSZACIVSA-N 1 2 329.425 3.733 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434301911 1029557046 /nfs/dbraw/zinc/55/70/46/1029557046.db2.gz SLMYFUBLSGMTRF-AWEZNQCLSA-N 1 2 329.469 3.605 20 0 EHADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434301911 1029557048 /nfs/dbraw/zinc/55/70/48/1029557048.db2.gz SLMYFUBLSGMTRF-AWEZNQCLSA-N 1 2 329.469 3.605 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c(=S)o1 ZINC000054495525 1029567749 /nfs/dbraw/zinc/56/77/49/1029567749.db2.gz SUCIDMKJPPSCDM-CQSZACIVSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(=S)o1 ZINC000054495525 1029567761 /nfs/dbraw/zinc/56/77/61/1029567761.db2.gz SUCIDMKJPPSCDM-CQSZACIVSA-N 1 2 345.468 3.639 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000272727862 1029582748 /nfs/dbraw/zinc/58/27/48/1029582748.db2.gz GNZVLUDRAGGVDS-UHFFFAOYSA-N 1 2 342.386 3.699 20 0 EHADLO CCCCN(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455102721 1029627668 /nfs/dbraw/zinc/62/76/68/1029627668.db2.gz FBOCFNSHGPISNX-UHFFFAOYSA-N 1 2 334.851 3.857 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc2ccccc2c1 ZINC000428583569 1029706379 /nfs/dbraw/zinc/70/63/79/1029706379.db2.gz AMUWPGNVEFYKFE-UHFFFAOYSA-N 1 2 348.450 3.714 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000079851968 1029730718 /nfs/dbraw/zinc/73/07/18/1029730718.db2.gz KSNYGGKBPJGPNW-OPAMFIHVSA-N 1 2 349.478 3.550 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000079851966 1029731301 /nfs/dbraw/zinc/73/13/01/1029731301.db2.gz KSNYGGKBPJGPNW-KSFYIVLOSA-N 1 2 349.478 3.550 20 0 EHADLO CC(C)Oc1ccccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000536014807 1029778534 /nfs/dbraw/zinc/77/85/34/1029778534.db2.gz WLPHSOMXCCEXFE-UHFFFAOYSA-N 1 2 330.497 3.853 20 0 EHADLO CC1=CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000533761352 1029791558 /nfs/dbraw/zinc/79/15/58/1029791558.db2.gz MDIQSQRZNSSSCI-IBGZPJMESA-N 1 2 344.455 3.745 20 0 EHADLO CC1=CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000533761352 1029791566 /nfs/dbraw/zinc/79/15/66/1029791566.db2.gz MDIQSQRZNSSSCI-IBGZPJMESA-N 1 2 344.455 3.745 20 0 EHADLO O=C(N[C@@H](C1CC1)C1CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455640116 1029791786 /nfs/dbraw/zinc/79/17/86/1029791786.db2.gz IUETUZDXASTSPM-LJQANCHMSA-N 1 2 344.503 3.664 20 0 EHADLO CC1=CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000533762431 1029793118 /nfs/dbraw/zinc/79/31/18/1029793118.db2.gz UUCXAUGBWWNPLR-UHFFFAOYSA-N 1 2 330.762 3.532 20 0 EHADLO CC1=CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000533762431 1029793123 /nfs/dbraw/zinc/79/31/23/1029793123.db2.gz UUCXAUGBWWNPLR-UHFFFAOYSA-N 1 2 330.762 3.532 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000508735276 1029857140 /nfs/dbraw/zinc/85/71/40/1029857140.db2.gz SGAGBLKYVXJYQC-UHFFFAOYSA-N 1 2 348.446 3.926 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000508735276 1029857142 /nfs/dbraw/zinc/85/71/42/1029857142.db2.gz SGAGBLKYVXJYQC-UHFFFAOYSA-N 1 2 348.446 3.926 20 0 EHADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000446937279 1029860321 /nfs/dbraw/zinc/86/03/21/1029860321.db2.gz CTIRGXDYWLVHTL-STQMWFEESA-N 1 2 325.441 3.715 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000174420273 1029862932 /nfs/dbraw/zinc/86/29/32/1029862932.db2.gz SNSKVHSZQHNPTN-RYUDHWBXSA-N 1 2 325.250 3.569 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000174420273 1029862937 /nfs/dbraw/zinc/86/29/37/1029862937.db2.gz SNSKVHSZQHNPTN-RYUDHWBXSA-N 1 2 325.250 3.569 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486123 1029900606 /nfs/dbraw/zinc/90/06/06/1029900606.db2.gz AQIGKJDNRCBJOL-SZNDQCEHSA-N 1 2 348.402 3.999 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000583486123 1029900617 /nfs/dbraw/zinc/90/06/17/1029900617.db2.gz AQIGKJDNRCBJOL-SZNDQCEHSA-N 1 2 348.402 3.999 20 0 EHADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000346479362 1029918239 /nfs/dbraw/zinc/91/82/39/1029918239.db2.gz JIZDAMHBHXNNIM-HXUWFJFHSA-N 1 2 334.419 3.861 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cn2)c(OC)c1 ZINC000278280815 1029933473 /nfs/dbraw/zinc/93/34/73/1029933473.db2.gz ZQBRMQCNWFAGPJ-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cn2)c(OC)c1 ZINC000278280815 1029933477 /nfs/dbraw/zinc/93/34/77/1029933477.db2.gz ZQBRMQCNWFAGPJ-UHFFFAOYSA-N 1 2 340.345 3.750 20 0 EHADLO c1n[nH]c([C@@H]([NH2+]CC[C@H]2CNc3ccccc32)C2CCCCC2)n1 ZINC000635004384 1029943095 /nfs/dbraw/zinc/94/30/95/1029943095.db2.gz DVVFVNWUBPBPGR-YJBOKZPZSA-N 1 2 325.460 3.615 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C2CCC2)cc1 ZINC000583505260 1029968854 /nfs/dbraw/zinc/96/88/54/1029968854.db2.gz YJOCRKBSJBBYJJ-UHFFFAOYSA-N 1 2 332.407 3.846 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000429764555 1029974887 /nfs/dbraw/zinc/97/48/87/1029974887.db2.gz IMIUAVKCTKKTPL-UHFFFAOYSA-N 1 2 347.488 3.637 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000583506536 1029976489 /nfs/dbraw/zinc/97/64/89/1029976489.db2.gz MBQQCMDBRFAJJG-UHFFFAOYSA-N 1 2 338.451 3.736 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000583506536 1029976505 /nfs/dbraw/zinc/97/65/05/1029976505.db2.gz MBQQCMDBRFAJJG-UHFFFAOYSA-N 1 2 338.451 3.736 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccc(F)cn1 ZINC000453264885 1029997920 /nfs/dbraw/zinc/99/79/20/1029997920.db2.gz IYVRYVVVFAPUAY-SNVBAGLBSA-N 1 2 344.253 3.989 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266932 1030004071 /nfs/dbraw/zinc/00/40/71/1030004071.db2.gz MRSYNJSRAIUPAU-DDUZABMNSA-N 1 2 342.414 3.779 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000343266932 1030004089 /nfs/dbraw/zinc/00/40/89/1030004089.db2.gz MRSYNJSRAIUPAU-DDUZABMNSA-N 1 2 342.414 3.779 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc([C@@H]2CCCO2)s1 ZINC000089807018 1030007705 /nfs/dbraw/zinc/00/77/05/1030007705.db2.gz OVUKCTNUIDSOHR-ZDUSSCGKSA-N 1 2 340.408 3.637 20 0 EHADLO CO[C@@H](Cc1ccccc1)c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000453242490 1030010122 /nfs/dbraw/zinc/01/01/22/1030010122.db2.gz CBJMRAPDPCGYIJ-ZWKOTPCHSA-N 1 2 337.423 3.651 20 0 EHADLO CCn1ncc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc21 ZINC000343268425 1030014127 /nfs/dbraw/zinc/01/41/27/1030014127.db2.gz DQOJFZHNXLYBPK-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO COc1ccc(C)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360934761 1030014224 /nfs/dbraw/zinc/01/42/24/1030014224.db2.gz AYWUUZCBSWAOFH-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cnc(-c2ccco2)s1 ZINC000375739940 1030021796 /nfs/dbraw/zinc/02/17/96/1030021796.db2.gz ACUQLVROXYWRIT-UHFFFAOYSA-N 1 2 328.441 3.568 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C(F)(F)CC ZINC000600613281 1030045934 /nfs/dbraw/zinc/04/59/34/1030045934.db2.gz GUNBDMPUCFRCRL-HNNXBMFYSA-N 1 2 327.415 3.822 20 0 EHADLO Cc1nc(-c2cccc(C(=O)NCCCCn3cc[nH+]c3)c2)cs1 ZINC000525723810 1030060924 /nfs/dbraw/zinc/06/09/24/1030060924.db2.gz IOIUILFBSBDWOH-UHFFFAOYSA-N 1 2 340.452 3.525 20 0 EHADLO C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000600625593 1030073657 /nfs/dbraw/zinc/07/36/57/1030073657.db2.gz HLLWHRIXBRUILU-KRWDZBQOSA-N 1 2 329.488 3.647 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)n1 ZINC000453314814 1030089598 /nfs/dbraw/zinc/08/95/98/1030089598.db2.gz IWHLELGUGIAWOU-CYBMUJFWSA-N 1 2 344.768 3.655 20 0 EHADLO CC(C)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000343287537 1030096713 /nfs/dbraw/zinc/09/67/13/1030096713.db2.gz BBBFHOBQVPFMMX-WMLDXEAASA-N 1 2 331.847 3.612 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(F)c1 ZINC000090450363 1030114546 /nfs/dbraw/zinc/11/45/46/1030114546.db2.gz IJPITDJUAOTDGT-KGLIPLIRSA-N 1 2 340.402 3.827 20 0 EHADLO CS(=O)(=O)c1ccc(-c2nc(C[NH+]3CCCCCCC3)co2)cc1 ZINC000090511397 1030134680 /nfs/dbraw/zinc/13/46/80/1030134680.db2.gz WMUHGHYZOVKSHY-UHFFFAOYSA-N 1 2 348.468 3.511 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3ncccc32)c1C ZINC000058957908 1030142766 /nfs/dbraw/zinc/14/27/66/1030142766.db2.gz CZWPAAQZTWZAPJ-UHFFFAOYSA-N 1 2 335.407 3.527 20 0 EHADLO CC(C)CNC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447391763 1030161516 /nfs/dbraw/zinc/16/15/16/1030161516.db2.gz KZZOJYQICSSVEO-UHFFFAOYSA-N 1 2 329.271 3.734 20 0 EHADLO COc1ccc([C@@H]([NH2+][C@H](C)c2cn(C)nc2C)c2ccco2)cc1 ZINC000453406757 1030213756 /nfs/dbraw/zinc/21/37/56/1030213756.db2.gz PLFWXWZMDWNXBP-BFUOFWGJSA-N 1 2 325.412 3.770 20 0 EHADLO CC[C@@H]1c2ccccc2CN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000897354684 1030217203 /nfs/dbraw/zinc/21/72/03/1030217203.db2.gz QOXBOASVJVVMNJ-MRXNPFEDSA-N 1 2 326.469 3.501 20 0 EHADLO CC[C@@H]1c2ccccc2CN1c1cc(N2CCSCC2)nc[nH+]1 ZINC000897354684 1030217217 /nfs/dbraw/zinc/21/72/17/1030217217.db2.gz QOXBOASVJVVMNJ-MRXNPFEDSA-N 1 2 326.469 3.501 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161409 1030231646 /nfs/dbraw/zinc/23/16/46/1030231646.db2.gz CTOYFZWKDJOUID-ZBFHGGJFSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161409 1030231658 /nfs/dbraw/zinc/23/16/58/1030231658.db2.gz CTOYFZWKDJOUID-ZBFHGGJFSA-N 1 2 336.794 3.637 20 0 EHADLO O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161792664 1030274861 /nfs/dbraw/zinc/27/48/61/1030274861.db2.gz COQUFABIZQMTFA-UHFFFAOYSA-N 1 2 333.391 3.583 20 0 EHADLO Cc1cc(CNc2ccccc2Cn2cncn2)c2c([nH+]1)CCCC2 ZINC000892345993 1030290026 /nfs/dbraw/zinc/29/00/26/1030290026.db2.gz PZJSVXROIBJCNQ-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000121590338 1030303366 /nfs/dbraw/zinc/30/33/66/1030303366.db2.gz GLPLXTZOMBWTQU-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000121590338 1030303376 /nfs/dbraw/zinc/30/33/76/1030303376.db2.gz GLPLXTZOMBWTQU-LLVKDONJSA-N 1 2 349.887 3.602 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3scnc3c1)C2 ZINC000526001249 1030341757 /nfs/dbraw/zinc/34/17/57/1030341757.db2.gz HPWJODLECHZENH-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3scnc3c1)CC2 ZINC000526001249 1030341774 /nfs/dbraw/zinc/34/17/74/1030341774.db2.gz HPWJODLECHZENH-LLVKDONJSA-N 1 2 340.452 3.886 20 0 EHADLO Cc1cc(Br)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)s1 ZINC000453594897 1030355348 /nfs/dbraw/zinc/35/53/48/1030355348.db2.gz LMLHTQYYPLCYFB-KWQFWETISA-N 1 2 326.263 3.811 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000532077433 1030369702 /nfs/dbraw/zinc/36/97/02/1030369702.db2.gz ABSQBGRUHCEJEH-UHFFFAOYSA-N 1 2 327.457 3.650 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2F)CCN1 ZINC000092075953 1030373760 /nfs/dbraw/zinc/37/37/60/1030373760.db2.gz RGINOIHTJQEPOQ-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2F)CCN1 ZINC000092075953 1030373773 /nfs/dbraw/zinc/37/37/73/1030373773.db2.gz RGINOIHTJQEPOQ-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cs1 ZINC000429721388 1030377798 /nfs/dbraw/zinc/37/77/98/1030377798.db2.gz RBPLMUVHUHHZSC-XJKSGUPXSA-N 1 2 334.485 3.700 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000583666507 1030393421 /nfs/dbraw/zinc/39/34/21/1030393421.db2.gz CCEIBQZDDBXMIP-AWEZNQCLSA-N 1 2 342.830 3.853 20 0 EHADLO Cc1cc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000532111469 1030413213 /nfs/dbraw/zinc/41/32/13/1030413213.db2.gz BQSIPXNDMRSCGL-OAHLLOKOSA-N 1 2 333.476 3.857 20 0 EHADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)on1 ZINC000526106874 1030428374 /nfs/dbraw/zinc/42/83/74/1030428374.db2.gz XLMCLPOXLAIRDP-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccco2)on1)C[C@H]1COc2ccccc2O1 ZINC000171048101 1030534899 /nfs/dbraw/zinc/53/48/99/1030534899.db2.gz AZKJGUSBUXOVRN-HNNXBMFYSA-N 1 2 340.379 3.597 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccco2)on1)C[C@H]1COc2ccccc2O1 ZINC000171048101 1030534911 /nfs/dbraw/zinc/53/49/11/1030534911.db2.gz AZKJGUSBUXOVRN-HNNXBMFYSA-N 1 2 340.379 3.597 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccccc1Cl ZINC000129715717 1030535429 /nfs/dbraw/zinc/53/54/29/1030535429.db2.gz PIWHNQUHYSUFJJ-UHFFFAOYSA-N 1 2 346.818 3.524 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc3ccccc3n1)C2 ZINC000526983468 1030541553 /nfs/dbraw/zinc/54/15/53/1030541553.db2.gz YZEDVTCRZNFDDM-OAHLLOKOSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc3ccccc3n1)CC2 ZINC000526983468 1030541561 /nfs/dbraw/zinc/54/15/61/1030541561.db2.gz YZEDVTCRZNFDDM-OAHLLOKOSA-N 1 2 348.450 3.503 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCO1 ZINC000092975055 1030541582 /nfs/dbraw/zinc/54/15/82/1030541582.db2.gz UQFOGJIBOHXTTE-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCO1 ZINC000092975055 1030541591 /nfs/dbraw/zinc/54/15/91/1030541591.db2.gz UQFOGJIBOHXTTE-HXUWFJFHSA-N 1 2 337.398 3.585 20 0 EHADLO CCOc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)cc(Br)c1OC ZINC000526990471 1030550875 /nfs/dbraw/zinc/55/08/75/1030550875.db2.gz BICNZIUNKMHIEK-QWRGUYRKSA-N 1 2 328.250 3.839 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc3c1ccn3C)C2 ZINC000526994149 1030556140 /nfs/dbraw/zinc/55/61/40/1030556140.db2.gz PBJJVDYTGXNROV-ZDUSSCGKSA-N 1 2 336.439 3.768 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc3c1ccn3C)CC2 ZINC000526994149 1030556151 /nfs/dbraw/zinc/55/61/51/1030556151.db2.gz PBJJVDYTGXNROV-ZDUSSCGKSA-N 1 2 336.439 3.768 20 0 EHADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000060464431 1030557781 /nfs/dbraw/zinc/55/77/81/1030557781.db2.gz ITVXBKPOKRSETL-AWEZNQCLSA-N 1 2 341.846 3.783 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1-c1cn[nH]c1)C2 ZINC000527006934 1030559100 /nfs/dbraw/zinc/55/91/00/1030559100.db2.gz CWZXXOMVTBAEAY-CYBMUJFWSA-N 1 2 349.438 3.667 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1-c1cn[nH]c1)CC2 ZINC000527006934 1030559106 /nfs/dbraw/zinc/55/91/06/1030559106.db2.gz CWZXXOMVTBAEAY-CYBMUJFWSA-N 1 2 349.438 3.667 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000564725390 1030562371 /nfs/dbraw/zinc/56/23/71/1030562371.db2.gz BDBUYEFYLYKTHQ-ZBFHGGJFSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000564725390 1030562384 /nfs/dbraw/zinc/56/23/84/1030562384.db2.gz BDBUYEFYLYKTHQ-ZBFHGGJFSA-N 1 2 344.842 3.820 20 0 EHADLO CCCCn1ncc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1C ZINC000122259395 1030562905 /nfs/dbraw/zinc/56/29/05/1030562905.db2.gz LXLGFRSEHYLCQK-UHFFFAOYSA-N 1 2 337.427 3.738 20 0 EHADLO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1nccs1 ZINC000093370751 1030594732 /nfs/dbraw/zinc/59/47/32/1030594732.db2.gz PPCKXSMLWVGHAQ-AWEZNQCLSA-N 1 2 326.469 3.856 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1nnc2ccccn21 ZINC000447927811 1030604986 /nfs/dbraw/zinc/60/49/86/1030604986.db2.gz GCQSNNBFLSLKHQ-MRXNPFEDSA-N 1 2 343.500 3.970 20 0 EHADLO CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H](C)CS(C)(=O)=O ZINC000093391208 1030605050 /nfs/dbraw/zinc/60/50/50/1030605050.db2.gz VBJWSATWFMORHO-OAHLLOKOSA-N 1 2 335.469 3.510 20 0 EHADLO CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H](C)CS(C)(=O)=O ZINC000093391208 1030605058 /nfs/dbraw/zinc/60/50/58/1030605058.db2.gz VBJWSATWFMORHO-OAHLLOKOSA-N 1 2 335.469 3.510 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCC(F)(F)F ZINC000093418326 1030608633 /nfs/dbraw/zinc/60/86/33/1030608633.db2.gz PTGZWRSEZHJAQK-STQMWFEESA-N 1 2 347.377 3.636 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1OCC(F)(F)F ZINC000093418326 1030608640 /nfs/dbraw/zinc/60/86/40/1030608640.db2.gz PTGZWRSEZHJAQK-STQMWFEESA-N 1 2 347.377 3.636 20 0 EHADLO C[C@@H]1C[N@H+](CCOCCOc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000347362763 1030664893 /nfs/dbraw/zinc/66/48/93/1030664893.db2.gz CRZZSNUWJXJTME-APWZRJJASA-N 1 2 347.480 3.606 20 0 EHADLO C[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000347362763 1030664900 /nfs/dbraw/zinc/66/49/00/1030664900.db2.gz CRZZSNUWJXJTME-APWZRJJASA-N 1 2 347.480 3.606 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000093758986 1030669721 /nfs/dbraw/zinc/66/97/21/1030669721.db2.gz HEVKVYVEBZSSLM-UHFFFAOYSA-N 1 2 347.462 3.563 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000093758986 1030669731 /nfs/dbraw/zinc/66/97/31/1030669731.db2.gz HEVKVYVEBZSSLM-UHFFFAOYSA-N 1 2 347.462 3.563 20 0 EHADLO COc1ccc(CN(Cc2c[nH+]c(C)n2C)CC2CCC2)c(OC)c1 ZINC000668109615 1030670804 /nfs/dbraw/zinc/67/08/04/1030670804.db2.gz HZHIWJJRPALTFQ-UHFFFAOYSA-N 1 2 343.471 3.548 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1OC ZINC000093841659 1030683694 /nfs/dbraw/zinc/68/36/94/1030683694.db2.gz WDDALYUEGDDFMQ-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1OC ZINC000093841659 1030683702 /nfs/dbraw/zinc/68/37/02/1030683702.db2.gz WDDALYUEGDDFMQ-LJQANCHMSA-N 1 2 331.412 3.651 20 0 EHADLO O=S(=O)(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Cl)cc1 ZINC000170033808 1030684723 /nfs/dbraw/zinc/68/47/23/1030684723.db2.gz ORDZVKHBWXTIJX-UHFFFAOYSA-N 1 2 333.800 3.531 20 0 EHADLO COc1ccc2c(c1)[C@@H](Nc1nc(C)[nH+]c3c1CCCC3)CCO2 ZINC000546635817 1030702545 /nfs/dbraw/zinc/70/25/45/1030702545.db2.gz YFHHTFPSJPGLPG-KRWDZBQOSA-N 1 2 325.412 3.608 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3cc4ccccc4o3)[nH+]c12 ZINC000527200447 1030704477 /nfs/dbraw/zinc/70/44/77/1030704477.db2.gz MTXUIPXQYUUYMA-CQSZACIVSA-N 1 2 333.391 3.809 20 0 EHADLO Cc1nc2ccc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)[nH+]c3)cc2o1 ZINC001213064122 1030722739 /nfs/dbraw/zinc/72/27/39/1030722739.db2.gz WOQVPUOIVYOTQZ-BETUJISGSA-N 1 2 338.411 3.888 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000482811925 1030725535 /nfs/dbraw/zinc/72/55/35/1030725535.db2.gz VZKGJVIJSDPCKI-GXTWGEPZSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000482811925 1030725552 /nfs/dbraw/zinc/72/55/52/1030725552.db2.gz VZKGJVIJSDPCKI-GXTWGEPZSA-N 1 2 337.769 3.626 20 0 EHADLO COc1cc(Cl)ccc1C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000482809821 1030729472 /nfs/dbraw/zinc/72/94/72/1030729472.db2.gz ONSZDBCKRJCXIN-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cc(Cl)ccc1C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000482809821 1030729487 /nfs/dbraw/zinc/72/94/87/1030729487.db2.gz ONSZDBCKRJCXIN-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000583781484 1030729715 /nfs/dbraw/zinc/72/97/15/1030729715.db2.gz LRQRDWRIPZBEKJ-HNNXBMFYSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000583781484 1030729727 /nfs/dbraw/zinc/72/97/27/1030729727.db2.gz LRQRDWRIPZBEKJ-HNNXBMFYSA-N 1 2 342.870 3.711 20 0 EHADLO Cc1ccc(-c2cnc(NC(=O)CCc3c[nH+]cn3C)s2)c(C)c1 ZINC000527260052 1030753750 /nfs/dbraw/zinc/75/37/50/1030753750.db2.gz OJHCDIDRRSLVKG-UHFFFAOYSA-N 1 2 340.452 3.732 20 0 EHADLO CCC(CC)c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)on1 ZINC000583791857 1030764681 /nfs/dbraw/zinc/76/46/81/1030764681.db2.gz XHOZOZLBVWESIL-CZUORRHYSA-N 1 2 346.431 3.554 20 0 EHADLO CCC(CC)c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)on1 ZINC000583791857 1030764691 /nfs/dbraw/zinc/76/46/91/1030764691.db2.gz XHOZOZLBVWESIL-CZUORRHYSA-N 1 2 346.431 3.554 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C(F)F)c1 ZINC000550898845 1030779393 /nfs/dbraw/zinc/77/93/93/1030779393.db2.gz LQLMRBZSKRUHHM-XYPHTWIQSA-N 1 2 327.415 3.921 20 0 EHADLO C[C@H](c1nc(C2(c3ccccc3Br)CC2)no1)[NH+](C)C ZINC000924067822 1030785237 /nfs/dbraw/zinc/78/52/37/1030785237.db2.gz FOGIWDOGORFTBY-SNVBAGLBSA-N 1 2 336.233 3.535 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122955520 1030800419 /nfs/dbraw/zinc/80/04/19/1030800419.db2.gz HZRIDXHJAQBVTA-AGIUHOORSA-N 1 2 339.277 3.754 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122955520 1030800438 /nfs/dbraw/zinc/80/04/38/1030800438.db2.gz HZRIDXHJAQBVTA-AGIUHOORSA-N 1 2 339.277 3.754 20 0 EHADLO c1csc(C[N@H+](Cc2cn3ccsc3n2)C[C@H]2CCCO2)c1 ZINC000171075554 1030805142 /nfs/dbraw/zinc/80/51/42/1030805142.db2.gz JTEDZOQSPIQBSY-CQSZACIVSA-N 1 2 333.482 3.639 20 0 EHADLO c1csc(C[N@@H+](Cc2cn3ccsc3n2)C[C@H]2CCCO2)c1 ZINC000171075554 1030805163 /nfs/dbraw/zinc/80/51/63/1030805163.db2.gz JTEDZOQSPIQBSY-CQSZACIVSA-N 1 2 333.482 3.639 20 0 EHADLO O=C(Nc1ccsc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527339253 1030821071 /nfs/dbraw/zinc/82/10/71/1030821071.db2.gz LYZMUMJXGONEHU-UHFFFAOYSA-N 1 2 341.889 3.813 20 0 EHADLO O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172068429 1030827004 /nfs/dbraw/zinc/82/70/04/1030827004.db2.gz QJKMEISSASMNJA-UXHICEINSA-N 1 2 347.418 3.522 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000016383791 1030827579 /nfs/dbraw/zinc/82/75/79/1030827579.db2.gz UPMKHMUSOBBXEF-KRWDZBQOSA-N 1 2 348.450 3.640 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000016383791 1030827597 /nfs/dbraw/zinc/82/75/97/1030827597.db2.gz UPMKHMUSOBBXEF-KRWDZBQOSA-N 1 2 348.450 3.640 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCCCC3)nc[nH+]2)[C@@H]2CCCO2)cc1 ZINC000172150828 1030840461 /nfs/dbraw/zinc/84/04/61/1030840461.db2.gz AFTIPCWOASSSOB-PXNSSMCTSA-N 1 2 338.455 3.799 20 0 EHADLO c1ccc([C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO2)cc1 ZINC000172150828 1030840484 /nfs/dbraw/zinc/84/04/84/1030840484.db2.gz AFTIPCWOASSSOB-PXNSSMCTSA-N 1 2 338.455 3.799 20 0 EHADLO CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000172147667 1030841082 /nfs/dbraw/zinc/84/10/82/1030841082.db2.gz LUWAFEHOHKCPKN-ZDUSSCGKSA-N 1 2 339.464 3.849 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000172147667 1030841103 /nfs/dbraw/zinc/84/11/03/1030841103.db2.gz LUWAFEHOHKCPKN-ZDUSSCGKSA-N 1 2 339.464 3.849 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC3CC3)c2C1 ZINC000171999098 1030860915 /nfs/dbraw/zinc/86/09/15/1030860915.db2.gz LZAJGXYVCUDACP-AWEZNQCLSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC3CC3)c2C1 ZINC000171999098 1030860938 /nfs/dbraw/zinc/86/09/38/1030860938.db2.gz LZAJGXYVCUDACP-AWEZNQCLSA-N 1 2 337.467 3.531 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000668177266 1030862204 /nfs/dbraw/zinc/86/22/04/1030862204.db2.gz SXDKUJKVCVEXNE-HUUCEWRRSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000668177266 1030862229 /nfs/dbraw/zinc/86/22/29/1030862229.db2.gz SXDKUJKVCVEXNE-HUUCEWRRSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)CC(C)(C)C ZINC000476755786 1030879251 /nfs/dbraw/zinc/87/92/51/1030879251.db2.gz JNLOQVLLNUBDJO-MRXNPFEDSA-N 1 2 332.488 3.838 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097040324 1030886281 /nfs/dbraw/zinc/88/62/81/1030886281.db2.gz JVGLHANLJSJHOL-UHFFFAOYSA-N 1 2 348.450 3.991 20 0 EHADLO O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097126067 1030896448 /nfs/dbraw/zinc/89/64/48/1030896448.db2.gz XBIZRVUVAXTJKN-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000097270151 1030907919 /nfs/dbraw/zinc/90/79/19/1030907919.db2.gz JRUZEKMSLCPVOF-CYBMUJFWSA-N 1 2 334.847 3.893 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000097270151 1030907935 /nfs/dbraw/zinc/90/79/35/1030907935.db2.gz JRUZEKMSLCPVOF-CYBMUJFWSA-N 1 2 334.847 3.893 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000527536065 1030957833 /nfs/dbraw/zinc/95/78/33/1030957833.db2.gz NIHZMYIJJHELJP-UHFFFAOYSA-N 1 2 338.238 3.555 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cc(F)ccc1F ZINC000483107311 1030967760 /nfs/dbraw/zinc/96/77/60/1030967760.db2.gz DUVYWWOKGKJDFW-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cc(F)ccc1F ZINC000483107311 1030967774 /nfs/dbraw/zinc/96/77/74/1030967774.db2.gz DUVYWWOKGKJDFW-CYBMUJFWSA-N 1 2 334.341 3.532 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527626033 1031043156 /nfs/dbraw/zinc/04/31/56/1031043156.db2.gz YDLJAEORYQXIBW-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527626033 1031043175 /nfs/dbraw/zinc/04/31/75/1031043175.db2.gz YDLJAEORYQXIBW-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO C[C@H](NC(=O)N1CCCC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458800 1031092836 /nfs/dbraw/zinc/09/28/36/1031092836.db2.gz VVASTVFZLKXVMO-HNNXBMFYSA-N 1 2 326.444 3.765 20 0 EHADLO Cc1cc2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)oc2cc1C ZINC000173504796 1031104547 /nfs/dbraw/zinc/10/45/47/1031104547.db2.gz HKFPTHKYBNYKIY-UHFFFAOYSA-N 1 2 349.434 3.843 20 0 EHADLO COC1(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCC1 ZINC000483324757 1031117248 /nfs/dbraw/zinc/11/72/48/1031117248.db2.gz ZTZVUXXOXPVNLO-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO COC1(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCC1 ZINC000483324757 1031117251 /nfs/dbraw/zinc/11/72/51/1031117251.db2.gz ZTZVUXXOXPVNLO-MRXNPFEDSA-N 1 2 327.827 3.812 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247552398 1031118010 /nfs/dbraw/zinc/11/80/10/1031118010.db2.gz QBQDCMBBHYNOKV-GUYCJALGSA-N 1 2 346.862 3.546 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247552398 1031118023 /nfs/dbraw/zinc/11/80/23/1031118023.db2.gz QBQDCMBBHYNOKV-GUYCJALGSA-N 1 2 346.862 3.546 20 0 EHADLO O=C(C[C@H]1COCC[N@@H+]1Cc1cccc2ccccc21)c1ccco1 ZINC000158154916 1031123291 /nfs/dbraw/zinc/12/32/91/1031123291.db2.gz PEPDQPMQOCBKHP-SFHVURJKSA-N 1 2 335.403 3.907 20 0 EHADLO O=C(C[C@H]1COCC[N@H+]1Cc1cccc2ccccc21)c1ccco1 ZINC000158154916 1031123298 /nfs/dbraw/zinc/12/32/98/1031123298.db2.gz PEPDQPMQOCBKHP-SFHVURJKSA-N 1 2 335.403 3.907 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(OC)cc3OC)CCO2)cc1 ZINC000483430935 1031148119 /nfs/dbraw/zinc/14/81/19/1031148119.db2.gz YUJMFWWQWCTKQR-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)cc3OC)CCO2)cc1 ZINC000483430935 1031148137 /nfs/dbraw/zinc/14/81/37/1031148137.db2.gz YUJMFWWQWCTKQR-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCCCc1noc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533927668 1031152239 /nfs/dbraw/zinc/15/22/39/1031152239.db2.gz GJJYWFZYTMSSMP-HNNXBMFYSA-N 1 2 335.835 3.719 20 0 EHADLO CCCCc1noc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000533927668 1031152245 /nfs/dbraw/zinc/15/22/45/1031152245.db2.gz GJJYWFZYTMSSMP-HNNXBMFYSA-N 1 2 335.835 3.719 20 0 EHADLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cccc2C)[nH]1 ZINC000668251296 1031191920 /nfs/dbraw/zinc/19/19/20/1031191920.db2.gz UXLKKWBPAPSXDP-OAQYLSRUSA-N 1 2 347.462 3.539 20 0 EHADLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cccc2C)[nH]1 ZINC000668251296 1031191933 /nfs/dbraw/zinc/19/19/33/1031191933.db2.gz UXLKKWBPAPSXDP-OAQYLSRUSA-N 1 2 347.462 3.539 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2(Cc3ccccc3)CC2)c2cn[nH]n2)cc1 ZINC000551316354 1031219433 /nfs/dbraw/zinc/21/94/33/1031219433.db2.gz FTBVEOFUEKIMSC-IBGZPJMESA-N 1 2 336.414 3.646 20 0 EHADLO Fc1ccc([C@H]([NH2+]CC2(Cc3ccccc3)CC2)c2c[nH]nn2)cc1 ZINC000551316354 1031219440 /nfs/dbraw/zinc/21/94/40/1031219440.db2.gz FTBVEOFUEKIMSC-IBGZPJMESA-N 1 2 336.414 3.646 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCCc3c(OC)ccc(Cl)c32)[nH]1 ZINC000903131421 1031241953 /nfs/dbraw/zinc/24/19/53/1031241953.db2.gz SCIDNSLZJVMTPI-GXFFZTMASA-N 1 2 334.851 3.757 20 0 EHADLO Cc1nc(NC2CCC(O)(c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000760597907 1031246557 /nfs/dbraw/zinc/24/65/57/1031246557.db2.gz RTJGIKBBHDTLQR-UHFFFAOYSA-N 1 2 337.467 3.906 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C ZINC000483648431 1031259272 /nfs/dbraw/zinc/25/92/72/1031259272.db2.gz CFIZHGFJJXLPPS-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C ZINC000483648431 1031259279 /nfs/dbraw/zinc/25/92/79/1031259279.db2.gz CFIZHGFJJXLPPS-OAQYLSRUSA-N 1 2 341.451 3.851 20 0 EHADLO C[C@@H](CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000527830316 1031297223 /nfs/dbraw/zinc/29/72/23/1031297223.db2.gz ZJPSZDUPNFKATQ-FUHWJXTLSA-N 1 2 344.503 3.518 20 0 EHADLO O=C(CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1)Nc1ccccc1 ZINC000551403318 1031299618 /nfs/dbraw/zinc/29/96/18/1031299618.db2.gz HBUBPVUNERIWLJ-IBGZPJMESA-N 1 2 348.368 3.864 20 0 EHADLO O=C(CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1)Nc1ccccc1 ZINC000551403318 1031299630 /nfs/dbraw/zinc/29/96/30/1031299630.db2.gz HBUBPVUNERIWLJ-IBGZPJMESA-N 1 2 348.368 3.864 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)c[nH]c21 ZINC000343539825 1031307609 /nfs/dbraw/zinc/30/76/09/1031307609.db2.gz QFRGYLDHXBSHDV-LJQANCHMSA-N 1 2 331.423 3.516 20 0 EHADLO COc1cc2c(cc1OC)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000527857635 1031333627 /nfs/dbraw/zinc/33/36/27/1031333627.db2.gz CVDFWNRHYDVGIF-UHFFFAOYSA-N 1 2 334.419 3.857 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H]1C1CCCCC1 ZINC000635379166 1031351453 /nfs/dbraw/zinc/35/14/53/1031351453.db2.gz ZZHMTBZSMOJFKJ-CABCVRRESA-N 1 2 343.393 3.948 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868844 1031354554 /nfs/dbraw/zinc/35/45/54/1031354554.db2.gz MURLPBPMSMWDOG-AUUYWEPGSA-N 1 2 339.414 3.610 20 0 EHADLO CC(F)(F)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000584007855 1031405361 /nfs/dbraw/zinc/40/53/61/1031405361.db2.gz PGSNBUPOEDALRC-UHFFFAOYSA-N 1 2 342.393 3.738 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000668296912 1031420769 /nfs/dbraw/zinc/42/07/69/1031420769.db2.gz BGDPBIIPXXCEJQ-OAHLLOKOSA-N 1 2 327.424 3.625 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC000668296912 1031420775 /nfs/dbraw/zinc/42/07/75/1031420775.db2.gz BGDPBIIPXXCEJQ-OAHLLOKOSA-N 1 2 327.424 3.625 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)C1(C(F)(F)F)CCCCC1 ZINC000668298452 1031427056 /nfs/dbraw/zinc/42/70/56/1031427056.db2.gz ZMMZSTFHSMTIHC-UHFFFAOYSA-N 1 2 343.393 3.903 20 0 EHADLO O=C1[C@H]([N@@H+]2CC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569290 1031429570 /nfs/dbraw/zinc/42/95/70/1031429570.db2.gz BXOLIHJXBGBYHR-SMDDNHRTSA-N 1 2 346.780 3.720 20 0 EHADLO O=C1[C@H]([N@H+]2CC[C@@H](CC(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000278569290 1031429576 /nfs/dbraw/zinc/42/95/76/1031429576.db2.gz BXOLIHJXBGBYHR-SMDDNHRTSA-N 1 2 346.780 3.720 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000924791228 1031443911 /nfs/dbraw/zinc/44/39/11/1031443911.db2.gz QJTZRIIDKGVKTR-HNNXBMFYSA-N 1 2 328.460 3.644 20 0 EHADLO Cc1ccccc1-c1nc(=NC2CC[NH+](C3CCCC3)CC2)s[nH]1 ZINC000527916360 1031450860 /nfs/dbraw/zinc/45/08/60/1031450860.db2.gz TTZDAVIPKHHTLC-UHFFFAOYSA-N 1 2 342.512 3.754 20 0 EHADLO Cc1ncc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)o1 ZINC000527915507 1031451146 /nfs/dbraw/zinc/45/11/46/1031451146.db2.gz NYVBWKFHBOTFHE-ZETCQYMHSA-N 1 2 331.160 3.875 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000584025510 1031488917 /nfs/dbraw/zinc/48/89/17/1031488917.db2.gz LWQZZCJYDCDKNR-OAHLLOKOSA-N 1 2 347.865 3.795 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000176881296 1031501024 /nfs/dbraw/zinc/50/10/24/1031501024.db2.gz WIYHNIKMLNFNEO-OAHLLOKOSA-N 1 2 344.484 3.563 20 0 EHADLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000176881296 1031501038 /nfs/dbraw/zinc/50/10/38/1031501038.db2.gz WIYHNIKMLNFNEO-OAHLLOKOSA-N 1 2 344.484 3.563 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cn(-c2ccccc2)nn1 ZINC000527968030 1031536499 /nfs/dbraw/zinc/53/64/99/1031536499.db2.gz NWSMUTTYVUARPU-FOIQADDNSA-N 1 2 333.439 3.854 20 0 EHADLO C[C@@H](CC(=O)N(CCc1ccccc1)C1CCCC1)n1cc[nH+]c1 ZINC000584056415 1031585261 /nfs/dbraw/zinc/58/52/61/1031585261.db2.gz OZDBUSHCRPATIJ-KRWDZBQOSA-N 1 2 325.456 3.848 20 0 EHADLO COC(=O)[C@H](C)[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCC1 ZINC000484468917 1031588073 /nfs/dbraw/zinc/58/80/73/1031588073.db2.gz BLTCEPBJLFZHFJ-HNNXBMFYSA-N 1 2 331.456 3.730 20 0 EHADLO COC(=O)[C@H](C)[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCC1 ZINC000484468917 1031588083 /nfs/dbraw/zinc/58/80/83/1031588083.db2.gz BLTCEPBJLFZHFJ-HNNXBMFYSA-N 1 2 331.456 3.730 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000551720735 1031602819 /nfs/dbraw/zinc/60/28/19/1031602819.db2.gz GNFIKDJOVZRYOK-YGRLFVJLSA-N 1 2 336.233 3.942 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1F ZINC000178009706 1031604504 /nfs/dbraw/zinc/60/45/04/1031604504.db2.gz VJPGYXFECFVGPB-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO CCCc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)sc1C ZINC000347457093 1031623153 /nfs/dbraw/zinc/62/31/53/1031623153.db2.gz YEWIPRPUYGQPME-HNNXBMFYSA-N 1 2 331.485 3.762 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428010429 1031633551 /nfs/dbraw/zinc/63/35/51/1031633551.db2.gz WROPYPGSDWLXCA-AWEZNQCLSA-N 1 2 349.887 3.540 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)n2)C1 ZINC000448771671 1031658618 /nfs/dbraw/zinc/65/86/18/1031658618.db2.gz QDVCHBBOFYXFAB-ORIJERBGSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)n2)C1 ZINC000448771671 1031658631 /nfs/dbraw/zinc/65/86/31/1031658631.db2.gz QDVCHBBOFYXFAB-ORIJERBGSA-N 1 2 333.501 3.750 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551806735 1031666216 /nfs/dbraw/zinc/66/62/16/1031666216.db2.gz ZIFWKZJCUHEIJY-TUKIKUTGSA-N 1 2 329.362 3.883 20 0 EHADLO CC[C@@H](SC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178523653 1031675814 /nfs/dbraw/zinc/67/58/14/1031675814.db2.gz QBBXNTCJRMUBLU-MRXNPFEDSA-N 1 2 329.469 3.967 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536142 1031686787 /nfs/dbraw/zinc/68/67/87/1031686787.db2.gz GEWMRJDJGXAAQT-WOJBJXKFSA-N 1 2 345.483 3.648 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)cc1 ZINC000484536142 1031686791 /nfs/dbraw/zinc/68/67/91/1031686791.db2.gz GEWMRJDJGXAAQT-WOJBJXKFSA-N 1 2 345.483 3.648 20 0 EHADLO CCCc1ccc(C(=O)CCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178378572 1031688879 /nfs/dbraw/zinc/68/88/79/1031688879.db2.gz WWVMTMOVPOYLMH-UHFFFAOYSA-N 1 2 349.434 3.566 20 0 EHADLO CCS[C@@H](C)c1noc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904098272 1031724894 /nfs/dbraw/zinc/72/48/94/1031724894.db2.gz RUXGYHBSCLXEJX-GZMMTYOYSA-N 1 2 342.262 3.694 20 0 EHADLO CCO[C@H](c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1)C(C)C ZINC000904116370 1031746875 /nfs/dbraw/zinc/74/68/75/1031746875.db2.gz JHCSXFIZURUZEW-INIZCTEOSA-N 1 2 326.400 3.715 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000584116401 1031750373 /nfs/dbraw/zinc/75/03/73/1031750373.db2.gz WMWRNGFBIWXWDO-LJQANCHMSA-N 1 2 345.446 3.790 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117673288 1031791957 /nfs/dbraw/zinc/79/19/57/1031791957.db2.gz RHPJTVLONIPZPT-APWZRJJASA-N 1 2 331.419 3.891 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000343653868 1031796100 /nfs/dbraw/zinc/79/61/00/1031796100.db2.gz BKRGSQRUIAPOIB-BZUAXINKSA-N 1 2 341.480 3.579 20 0 EHADLO CC(C)c1cccc(CNC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000477750698 1031831840 /nfs/dbraw/zinc/83/18/40/1031831840.db2.gz OPIHURGEQLHHOD-UHFFFAOYSA-N 1 2 340.471 3.897 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cncnc1)[C@@H](c1ccccc1)C2 ZINC000180078089 1031836807 /nfs/dbraw/zinc/83/68/07/1031836807.db2.gz IRPXKVQKIVTXQI-OAQYLSRUSA-N 1 2 331.419 3.785 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cncnc1)[C@@H](c1ccccc1)C2 ZINC000180078089 1031836824 /nfs/dbraw/zinc/83/68/24/1031836824.db2.gz IRPXKVQKIVTXQI-OAQYLSRUSA-N 1 2 331.419 3.785 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(N(C)C)nc3ccccc32)c(C)[nH+]1 ZINC000180345535 1031843873 /nfs/dbraw/zinc/84/38/73/1031843873.db2.gz SRUUQWKXGMOFBP-UHFFFAOYSA-N 1 2 334.423 3.873 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000117749022 1031845006 /nfs/dbraw/zinc/84/50/06/1031845006.db2.gz VANMWMVDISORCN-LJQANCHMSA-N 1 2 335.382 3.989 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117750275 1031848247 /nfs/dbraw/zinc/84/82/47/1031848247.db2.gz NMSWXTAUKLWZDU-UONOGXRCSA-N 1 2 337.345 3.723 20 0 EHADLO OCCC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000278665761 1031886121 /nfs/dbraw/zinc/88/61/21/1031886121.db2.gz NPOSNEZMBIEKEL-GFCCVEGCSA-N 1 2 330.375 3.765 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C2(c3cccnc3)CC3(CCC3)C2)n1 ZINC000904266017 1031893207 /nfs/dbraw/zinc/89/32/07/1031893207.db2.gz WVNQVPWBKNDLMK-UHFFFAOYSA-N 1 2 347.422 3.667 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)n1 ZINC000904265082 1031893419 /nfs/dbraw/zinc/89/34/19/1031893419.db2.gz FUTUOAOOVXRQEK-XFBWCDHKSA-N 1 2 338.798 3.729 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(CO[C@@H]2CCCc3ccccc32)n1 ZINC000904261903 1031907768 /nfs/dbraw/zinc/90/77/68/1031907768.db2.gz RDKATIWEOBOWOY-MRXNPFEDSA-N 1 2 336.395 3.616 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1OC)c1ccco1 ZINC000180953451 1031927444 /nfs/dbraw/zinc/92/74/44/1031927444.db2.gz ZJWMMCNDRGRNIZ-CYBMUJFWSA-N 1 2 340.217 3.528 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(Br)c2)[C@@H]1[C@@H]1CCCO1 ZINC000584201247 1031928341 /nfs/dbraw/zinc/92/83/41/1031928341.db2.gz LEUVFKSIGFGAEE-WCQYABFASA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(Br)c2)[C@@H]1[C@@H]1CCCO1 ZINC000584201247 1031928348 /nfs/dbraw/zinc/92/83/48/1031928348.db2.gz LEUVFKSIGFGAEE-WCQYABFASA-N 1 2 330.291 3.900 20 0 EHADLO Cc1cc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)nc(C(C)C)[nH+]1 ZINC000343684880 1031937253 /nfs/dbraw/zinc/93/72/53/1031937253.db2.gz LPYGLHYGTYQNGC-QGZVFWFLSA-N 1 2 339.487 3.862 20 0 EHADLO O=C(Nc1ccccc1Nc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000180805322 1031951341 /nfs/dbraw/zinc/95/13/41/1031951341.db2.gz UVQNIAPLLVTXLJ-OAHLLOKOSA-N 1 2 332.407 3.828 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1cccc(C)c1 ZINC000460682302 1031956914 /nfs/dbraw/zinc/95/69/14/1031956914.db2.gz XKKXKKZCBLVTDJ-UHFFFAOYSA-N 1 2 331.423 3.789 20 0 EHADLO Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)c(N(C)C)[nH+]1 ZINC000162094426 1031960177 /nfs/dbraw/zinc/96/01/77/1031960177.db2.gz VZEWMIXPKOJJAS-UHFFFAOYSA-N 1 2 325.746 3.640 20 0 EHADLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278680460 1031965635 /nfs/dbraw/zinc/96/56/35/1031965635.db2.gz OXCYMPZEQPCLJF-UHFFFAOYSA-N 1 2 334.197 3.857 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(Cl)nc1 ZINC000181339113 1031973359 /nfs/dbraw/zinc/97/33/59/1031973359.db2.gz MGLJNIHMWMZTEM-OLZOCXBDSA-N 1 2 327.819 3.728 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380319 1031979733 /nfs/dbraw/zinc/97/97/33/1031979733.db2.gz HBUKRGGXBGUCNG-DLBZAZTESA-N 1 2 346.519 3.642 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CCC3)n2C)C12CCCCC2 ZINC000181380319 1031979747 /nfs/dbraw/zinc/97/97/47/1031979747.db2.gz HBUKRGGXBGUCNG-DLBZAZTESA-N 1 2 346.519 3.642 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000584240074 1031999037 /nfs/dbraw/zinc/99/90/37/1031999037.db2.gz VTAOELMXEPXQIJ-UHFFFAOYSA-N 1 2 346.858 3.730 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000584240074 1031999046 /nfs/dbraw/zinc/99/90/46/1031999046.db2.gz VTAOELMXEPXQIJ-UHFFFAOYSA-N 1 2 346.858 3.730 20 0 EHADLO CCn1cc(C[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cn1 ZINC000181570029 1032004237 /nfs/dbraw/zinc/00/42/37/1032004237.db2.gz LTPDRFCXJUUODR-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO CCn1cc(C[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cn1 ZINC000181570029 1032004249 /nfs/dbraw/zinc/00/42/49/1032004249.db2.gz LTPDRFCXJUUODR-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO CC1(CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000332964935 1032005445 /nfs/dbraw/zinc/00/54/45/1032005445.db2.gz FKNKHLHEOLHPLU-MSOLQXFVSA-N 1 2 338.455 3.601 20 0 EHADLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(OC)cc1 ZINC000181925752 1032043305 /nfs/dbraw/zinc/04/33/05/1032043305.db2.gz PTAPAMKULRMPIF-IBGZPJMESA-N 1 2 349.434 3.691 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000181927297 1032044840 /nfs/dbraw/zinc/04/48/40/1032044840.db2.gz GPXZQUNTAUFAPZ-KGLIPLIRSA-N 1 2 329.444 3.897 20 0 EHADLO CC1=C(C)C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000574573955 1033302091 /nfs/dbraw/zinc/30/20/91/1033302091.db2.gz CBAFXRWOVMQNDB-SFHVURJKSA-N 1 2 327.472 3.825 20 0 EHADLO CSCCCN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603019578 1033314354 /nfs/dbraw/zinc/31/43/54/1033314354.db2.gz CGDGUXPLPCHBMH-UHFFFAOYSA-N 1 2 332.473 3.518 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@]1=O ZINC000574636482 1033331239 /nfs/dbraw/zinc/33/12/39/1033331239.db2.gz ZQKVTJHQARXDKQ-IZHWHUGBSA-N 1 2 347.455 3.961 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@]1=O ZINC000574636482 1033331269 /nfs/dbraw/zinc/33/12/69/1033331269.db2.gz ZQKVTJHQARXDKQ-IZHWHUGBSA-N 1 2 347.455 3.961 20 0 EHADLO CC(C)c1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000594371736 1033339787 /nfs/dbraw/zinc/33/97/87/1033339787.db2.gz FLQMWHHXBHXYIC-UHFFFAOYSA-N 1 2 335.835 3.642 20 0 EHADLO C[C@@H](c1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1)C(F)(F)F ZINC000842036976 1033357653 /nfs/dbraw/zinc/35/76/53/1033357653.db2.gz UOTUOOBEUBMQTE-LBPRGKRZSA-N 1 2 337.345 3.989 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000607855852 1033362302 /nfs/dbraw/zinc/36/23/02/1033362302.db2.gz PATLDWLHFBLTBX-YLJYHZDGSA-N 1 2 347.462 3.837 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485178 1033366840 /nfs/dbraw/zinc/36/68/40/1033366840.db2.gz PWSUCBMMIQAMLI-OLZOCXBDSA-N 1 2 328.551 3.638 20 0 EHADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000173485178 1033366849 /nfs/dbraw/zinc/36/68/49/1033366849.db2.gz PWSUCBMMIQAMLI-OLZOCXBDSA-N 1 2 328.551 3.638 20 0 EHADLO COc1ccc(C[N@H+](CCCO)Cc2ncc(C(C)C)s2)cc1 ZINC000898173650 1033368217 /nfs/dbraw/zinc/36/82/17/1033368217.db2.gz QVGGODYBVPKLSR-UHFFFAOYSA-N 1 2 334.485 3.660 20 0 EHADLO COc1ccc(C[N@@H+](CCCO)Cc2ncc(C(C)C)s2)cc1 ZINC000898173650 1033368225 /nfs/dbraw/zinc/36/82/25/1033368225.db2.gz QVGGODYBVPKLSR-UHFFFAOYSA-N 1 2 334.485 3.660 20 0 EHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000607870592 1033375239 /nfs/dbraw/zinc/37/52/39/1033375239.db2.gz GNRKFFTVAFWVMT-RPVQJOFSSA-N 1 2 331.847 3.830 20 0 EHADLO Cc1cccn2cc(Cc3nc(Cc4ccccc4Cl)no3)[nH+]c12 ZINC000598678904 1033376953 /nfs/dbraw/zinc/37/69/53/1033376953.db2.gz KRPKGVJJEPKIDP-UHFFFAOYSA-N 1 2 338.798 3.861 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120119581 1033377678 /nfs/dbraw/zinc/37/76/78/1033377678.db2.gz PPYYYPHFEBKVOB-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120119581 1033377690 /nfs/dbraw/zinc/37/76/90/1033377690.db2.gz PPYYYPHFEBKVOB-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120119767 1033377942 /nfs/dbraw/zinc/37/79/42/1033377942.db2.gz QVAJPZCIOMFZTC-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120119767 1033377951 /nfs/dbraw/zinc/37/79/51/1033377951.db2.gz QVAJPZCIOMFZTC-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000120141743 1033391720 /nfs/dbraw/zinc/39/17/20/1033391720.db2.gz OWRANLCCNSQWBT-CYBMUJFWSA-N 1 2 348.397 3.844 20 0 EHADLO C[C@H](Cc1cccs1)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616451 1033466645 /nfs/dbraw/zinc/46/66/45/1033466645.db2.gz UQOSQHRQKBXAEE-PBHICJAKSA-N 1 2 346.496 3.617 20 0 EHADLO C[C@@H](C[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C)c1ccccc1 ZINC000594613269 1033477587 /nfs/dbraw/zinc/47/75/87/1033477587.db2.gz BSMCUDOPOZKMBB-LPHOPBHVSA-N 1 2 340.467 3.728 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438958 1033495063 /nfs/dbraw/zinc/49/50/63/1033495063.db2.gz TYVWTIVEKPXEDD-ZDUSSCGKSA-N 1 2 332.394 3.986 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438958 1033495071 /nfs/dbraw/zinc/49/50/71/1033495071.db2.gz TYVWTIVEKPXEDD-ZDUSSCGKSA-N 1 2 332.394 3.986 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000460341156 1033513006 /nfs/dbraw/zinc/51/30/06/1033513006.db2.gz XPZAWRCBQSZNJX-GHMZBOCLSA-N 1 2 329.762 3.869 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000174063705 1033533344 /nfs/dbraw/zinc/53/33/44/1033533344.db2.gz MSSPKYSDSJQKJW-XQQFMLRXSA-N 1 2 343.452 3.806 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001168296588 1033556853 /nfs/dbraw/zinc/55/68/53/1033556853.db2.gz WOSBQUQEIRURDT-QRVBRYPASA-N 1 2 331.456 3.570 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001168296588 1033556864 /nfs/dbraw/zinc/55/68/64/1033556864.db2.gz WOSBQUQEIRURDT-QRVBRYPASA-N 1 2 331.456 3.570 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCC(C)C ZINC000449995565 1033571029 /nfs/dbraw/zinc/57/10/29/1033571029.db2.gz MODWIKAVXVJGTN-UHFFFAOYSA-N 1 2 331.504 3.973 20 0 EHADLO Cc1nc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)[nH]c1C ZINC000594947421 1033591467 /nfs/dbraw/zinc/59/14/67/1033591467.db2.gz DCAVKZWHAVDUOU-SJORKVTESA-N 1 2 341.455 3.686 20 0 EHADLO Cc1[nH]c(CN[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000594947421 1033591483 /nfs/dbraw/zinc/59/14/83/1033591483.db2.gz DCAVKZWHAVDUOU-SJORKVTESA-N 1 2 341.455 3.686 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045262325 1033612910 /nfs/dbraw/zinc/61/29/10/1033612910.db2.gz IRQVWUVQPIYPJK-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000685604895 1033614283 /nfs/dbraw/zinc/61/42/83/1033614283.db2.gz ZTPFWCFRHFGDGD-MOPGFXCFSA-N 1 2 341.430 3.545 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000685604895 1033614290 /nfs/dbraw/zinc/61/42/90/1033614290.db2.gz ZTPFWCFRHFGDGD-MOPGFXCFSA-N 1 2 341.430 3.545 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000595027481 1033649127 /nfs/dbraw/zinc/64/91/27/1033649127.db2.gz OPECFSHWZBJKPG-DLBZAZTESA-N 1 2 335.513 3.815 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529248917 1033653819 /nfs/dbraw/zinc/65/38/19/1033653819.db2.gz UWCHZYVPVPVDMH-GFCCVEGCSA-N 1 2 348.834 3.792 20 0 EHADLO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651286 1033681764 /nfs/dbraw/zinc/68/17/64/1033681764.db2.gz FVLGIVGOVQHNCA-QGZVFWFLSA-N 1 2 349.438 3.597 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCCCC(C)(C)C)c1ccccc1 ZINC000608440191 1033690892 /nfs/dbraw/zinc/69/08/92/1033690892.db2.gz KZJXNGXUIHAPNU-QGZVFWFLSA-N 1 2 342.487 3.829 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](CC1CC1)c1ccccc1 ZINC000608410827 1033698099 /nfs/dbraw/zinc/69/80/99/1033698099.db2.gz YCCDHGRFMUMIPJ-GOSISDBHSA-N 1 2 326.444 3.504 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410429 1033699752 /nfs/dbraw/zinc/69/97/52/1033699752.db2.gz BDNMGDBLMGUJSR-CRAIPNDOSA-N 1 2 344.434 3.595 20 0 EHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@]3(C)C(C)C)CC2)c1 ZINC000476376955 1033703121 /nfs/dbraw/zinc/70/31/21/1033703121.db2.gz RXLBBBUMZRVVER-LDQXTDLNSA-N 1 2 344.499 3.583 20 0 EHADLO CCOc1ccccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608553619 1033757904 /nfs/dbraw/zinc/75/79/04/1033757904.db2.gz MCBJEIDYASBAHA-SFHVURJKSA-N 1 2 349.434 3.533 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Oc2ccccc2)ccn1 ZINC000608587411 1033787161 /nfs/dbraw/zinc/78/71/61/1033787161.db2.gz RFELSTVYBBYZKL-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CC[N@H+](CCc1nccs1)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595389251 1033788421 /nfs/dbraw/zinc/78/84/21/1033788421.db2.gz OGIGNKQQYHWABC-HNNXBMFYSA-N 1 2 338.860 3.575 20 0 EHADLO CC[N@@H+](CCc1nccs1)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595389251 1033788443 /nfs/dbraw/zinc/78/84/43/1033788443.db2.gz OGIGNKQQYHWABC-HNNXBMFYSA-N 1 2 338.860 3.575 20 0 EHADLO CCCc1noc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000101558863 1033788432 /nfs/dbraw/zinc/78/84/32/1033788432.db2.gz FVKPDVIGFHKCHT-UHFFFAOYSA-N 1 2 340.427 3.742 20 0 EHADLO CCCc1noc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000101558863 1033788450 /nfs/dbraw/zinc/78/84/50/1033788450.db2.gz FVKPDVIGFHKCHT-UHFFFAOYSA-N 1 2 340.427 3.742 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472351987 1033789200 /nfs/dbraw/zinc/78/92/00/1033789200.db2.gz SAJMPFNIILJPEB-ROUUACIJSA-N 1 2 341.455 3.563 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472351987 1033789214 /nfs/dbraw/zinc/78/92/14/1033789214.db2.gz SAJMPFNIILJPEB-ROUUACIJSA-N 1 2 341.455 3.563 20 0 EHADLO C[C@H]1CCN(C(=O)C2=C(c3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000450155503 1033820673 /nfs/dbraw/zinc/82/06/73/1033820673.db2.gz ANPFLXVEJRLSEZ-OXJNMPFZSA-N 1 2 335.451 3.930 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)OC ZINC000476436396 1033836366 /nfs/dbraw/zinc/83/63/66/1033836366.db2.gz QOINHHZRYBSCNP-YJBOKZPZSA-N 1 2 349.519 3.596 20 0 EHADLO CCC(CC)[C@H](CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)OC ZINC000476436396 1033836383 /nfs/dbraw/zinc/83/63/83/1033836383.db2.gz QOINHHZRYBSCNP-YJBOKZPZSA-N 1 2 349.519 3.596 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)nc1C ZINC000599370758 1033890863 /nfs/dbraw/zinc/89/08/63/1033890863.db2.gz JTOKIYSUOHYFIU-LBPRGKRZSA-N 1 2 336.432 3.927 20 0 EHADLO CC(C)c1cc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1C(C)(C)C ZINC000603785574 1033919462 /nfs/dbraw/zinc/91/94/62/1033919462.db2.gz CXPJMDOAFSDAOP-UHFFFAOYSA-N 1 2 325.416 3.662 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2F)nc1 ZINC000599449228 1033932064 /nfs/dbraw/zinc/93/20/64/1033932064.db2.gz NLQDLMQPBCPASZ-LLVKDONJSA-N 1 2 336.794 3.854 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(Cl)c2F)nc1 ZINC000599449228 1033932078 /nfs/dbraw/zinc/93/20/78/1033932078.db2.gz NLQDLMQPBCPASZ-LLVKDONJSA-N 1 2 336.794 3.854 20 0 EHADLO Cc1ccc(C[C@@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000537603889 1033936481 /nfs/dbraw/zinc/93/64/81/1033936481.db2.gz LXYYSQWDDOJMPZ-QGZVFWFLSA-N 1 2 342.508 3.580 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnc(-c2ccccc2F)s1 ZINC000603809167 1033939668 /nfs/dbraw/zinc/93/96/68/1033939668.db2.gz RMWDFFDAFILLRN-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000603809210 1033940415 /nfs/dbraw/zinc/94/04/15/1033940415.db2.gz UGHJCHKCBXSNKD-UHFFFAOYSA-N 1 2 336.178 3.659 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000595685813 1033946481 /nfs/dbraw/zinc/94/64/81/1033946481.db2.gz VWJCVVSUZSWKJX-RTWAWAEBSA-N 1 2 344.414 3.628 20 0 EHADLO Cc1nn(C)c(C)c1CCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450245819 1033984324 /nfs/dbraw/zinc/98/43/24/1033984324.db2.gz YTXCXTDPRISTOZ-UHFFFAOYSA-N 1 2 348.372 3.680 20 0 EHADLO Cc1ccc([C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1C ZINC000537608363 1034004332 /nfs/dbraw/zinc/00/43/32/1034004332.db2.gz XSZJTLQERACRDH-HXUWFJFHSA-N 1 2 346.434 3.861 20 0 EHADLO O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000603884771 1034008366 /nfs/dbraw/zinc/00/83/66/1034008366.db2.gz KTJAPWPGALBXQX-UHFFFAOYSA-N 1 2 334.404 3.639 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc([C@H](C)c3ccccc3)n[nH]2)c[nH+]1 ZINC000529467196 1034020537 /nfs/dbraw/zinc/02/05/37/1034020537.db2.gz NGDJVZHQUWWMIB-OAHLLOKOSA-N 1 2 334.423 3.503 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000529466915 1034022006 /nfs/dbraw/zinc/02/20/06/1034022006.db2.gz ICPXJMRUQZMJRU-BZUAXINKSA-N 1 2 331.847 3.630 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cnn(C2CCCC2)c1 ZINC000548861216 1034040151 /nfs/dbraw/zinc/04/01/51/1034040151.db2.gz QMWDOTMIEQKAEC-HUUCEWRRSA-N 1 2 342.491 3.728 20 0 EHADLO Cc1cc(CNC(=O)Cc2cccc(C)c2Br)cc(C)[nH+]1 ZINC000529499561 1034054569 /nfs/dbraw/zinc/05/45/69/1034054569.db2.gz XRWHSQUHKCLLGV-UHFFFAOYSA-N 1 2 347.256 3.628 20 0 EHADLO Cc1cccc(C)c1NC(=O)CCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650825 1034069719 /nfs/dbraw/zinc/06/97/19/1034069719.db2.gz YRBJKOZXELRWDR-UHFFFAOYSA-N 1 2 348.487 3.732 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000596075669 1034071128 /nfs/dbraw/zinc/07/11/28/1034071128.db2.gz JAKJRWZMGIQCNV-NSHDSACASA-N 1 2 336.338 3.572 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000421746016 1034083056 /nfs/dbraw/zinc/08/30/56/1034083056.db2.gz ZWUXIUOAJXKCKY-WFASDCNBSA-N 1 2 336.838 3.532 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)c1F ZINC000658227876 1034086861 /nfs/dbraw/zinc/08/68/61/1034086861.db2.gz LLYNPMKBOFDNGW-JTQLQIEISA-N 1 2 344.308 3.979 20 0 EHADLO Cc1cc2cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)oc2cc1C ZINC000120739273 1034090227 /nfs/dbraw/zinc/09/02/27/1034090227.db2.gz TXPRFHSADPHKIX-QGZVFWFLSA-N 1 2 336.391 3.738 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC)cc3)c2C1 ZINC000537611631 1034094000 /nfs/dbraw/zinc/09/40/00/1034094000.db2.gz UBNVAOSSUZUXIG-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC)cc3)c2C1 ZINC000537611631 1034094013 /nfs/dbraw/zinc/09/40/13/1034094013.db2.gz UBNVAOSSUZUXIG-UHFFFAOYSA-N 1 2 344.480 3.775 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000596188272 1034103597 /nfs/dbraw/zinc/10/35/97/1034103597.db2.gz VHEHVPMQXUTHQN-SGTLLEGYSA-N 1 2 348.830 3.639 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3s2)cc2c1OCO2 ZINC000120780182 1034106115 /nfs/dbraw/zinc/10/61/15/1034106115.db2.gz VCANHZQRWMAJLX-UHFFFAOYSA-N 1 2 342.420 3.666 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)cc2c1OCO2 ZINC000120780182 1034106124 /nfs/dbraw/zinc/10/61/24/1034106124.db2.gz VCANHZQRWMAJLX-UHFFFAOYSA-N 1 2 342.420 3.666 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000596218005 1034124592 /nfs/dbraw/zinc/12/45/92/1034124592.db2.gz RALWVCZGWVTSSU-DOTOQJQBSA-N 1 2 328.387 3.684 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000596218936 1034124829 /nfs/dbraw/zinc/12/48/29/1034124829.db2.gz LALYKEMAHPTOSE-KOMQPUFPSA-N 1 2 330.815 3.809 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000534102472 1034131905 /nfs/dbraw/zinc/13/19/05/1034131905.db2.gz WCGZNHFBBISXFO-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO COc1ccc2c(c1)CC[N@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000534102472 1034131913 /nfs/dbraw/zinc/13/19/13/1034131913.db2.gz WCGZNHFBBISXFO-UHFFFAOYSA-N 1 2 341.455 3.727 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000119398831 1034140474 /nfs/dbraw/zinc/14/04/74/1034140474.db2.gz CQICLNOCSIRQBJ-POAQFYNOSA-N 1 2 337.467 3.754 20 0 EHADLO C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1C(=O)OC(C)(C)C ZINC000596284605 1034142497 /nfs/dbraw/zinc/14/24/97/1034142497.db2.gz BCVPCUYJOPLJIM-CJNGLKHVSA-N 1 2 341.455 3.621 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2oc(CC)nc2C)c1C(=O)OC ZINC000596281277 1034142750 /nfs/dbraw/zinc/14/27/50/1034142750.db2.gz KNEBZUMUKYSVCZ-UHFFFAOYSA-N 1 2 332.400 3.567 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000635721617 1034151631 /nfs/dbraw/zinc/15/16/31/1034151631.db2.gz CENWUCCGGRFDOI-GUDVDZBRSA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000635721617 1034151642 /nfs/dbraw/zinc/15/16/42/1034151642.db2.gz CENWUCCGGRFDOI-GUDVDZBRSA-N 1 2 337.467 3.775 20 0 EHADLO Fc1ccc(F)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1Cl ZINC000529545027 1034154050 /nfs/dbraw/zinc/15/40/50/1034154050.db2.gz ZHVSKBNFHCKZPP-GFCCVEGCSA-N 1 2 345.817 3.636 20 0 EHADLO COC(=O)c1ccc(C(F)(F)F)nc1NCc1c[nH+]c(C)cc1C ZINC000596261635 1034154440 /nfs/dbraw/zinc/15/44/40/1034154440.db2.gz GTOOHXRNAZVHKZ-UHFFFAOYSA-N 1 2 339.317 3.511 20 0 EHADLO Fc1cc2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)O4)c2cc1Br ZINC000450361789 1034169181 /nfs/dbraw/zinc/16/91/81/1034169181.db2.gz GGFOKIWHRKPKTH-AOOOYVTPSA-N 1 2 337.192 3.504 20 0 EHADLO CC(C)c1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120851073 1034187426 /nfs/dbraw/zinc/18/74/26/1034187426.db2.gz ZRWLLFAEQZKKMT-MRXNPFEDSA-N 1 2 325.456 3.638 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H](C)O1 ZINC000120877804 1034197866 /nfs/dbraw/zinc/19/78/66/1034197866.db2.gz VQBSNTMCGAILME-TXEJJXNPSA-N 1 2 335.245 3.607 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H](C)O1 ZINC000120877804 1034197877 /nfs/dbraw/zinc/19/78/77/1034197877.db2.gz VQBSNTMCGAILME-TXEJJXNPSA-N 1 2 335.245 3.607 20 0 EHADLO Cc1cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)cc[nH+]1 ZINC000120880446 1034198334 /nfs/dbraw/zinc/19/83/34/1034198334.db2.gz BMOGUOGHAFKKDF-UHFFFAOYSA-N 1 2 332.407 3.770 20 0 EHADLO Clc1cccc(Cl)c1CC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000450375524 1034203940 /nfs/dbraw/zinc/20/39/40/1034203940.db2.gz FFNWYCDJBJOSCJ-UHFFFAOYSA-N 1 2 337.254 3.521 20 0 EHADLO Clc1cccc(Cl)c1CC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000450375524 1034203954 /nfs/dbraw/zinc/20/39/54/1034203954.db2.gz FFNWYCDJBJOSCJ-UHFFFAOYSA-N 1 2 337.254 3.521 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000310053405 1034207527 /nfs/dbraw/zinc/20/75/27/1034207527.db2.gz OWJVZBOBFUVHQG-MRXNPFEDSA-N 1 2 328.416 3.534 20 0 EHADLO CCOc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(F)cc1OC ZINC000529578363 1034208447 /nfs/dbraw/zinc/20/84/47/1034208447.db2.gz RDXKHNLOMHXCJK-YJBOKZPZSA-N 1 2 337.435 3.622 20 0 EHADLO CCOc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(F)cc1OC ZINC000529578363 1034208465 /nfs/dbraw/zinc/20/84/65/1034208465.db2.gz RDXKHNLOMHXCJK-YJBOKZPZSA-N 1 2 337.435 3.622 20 0 EHADLO c1c(CSCc2cccc(C[NH+]3CCOCC3)c2)onc1C1CC1 ZINC000596371879 1034208430 /nfs/dbraw/zinc/20/84/30/1034208430.db2.gz DWDFMVRXLMVJIN-UHFFFAOYSA-N 1 2 344.480 3.818 20 0 EHADLO Cc1nn(C[N@@H+](C)C2CCCC2)c(=S)n1CCc1cccs1 ZINC000171210018 1034227930 /nfs/dbraw/zinc/22/79/30/1034227930.db2.gz NQYUBHNWJYQMOB-UHFFFAOYSA-N 1 2 336.530 3.859 20 0 EHADLO Cc1nn(C[N@H+](C)C2CCCC2)c(=S)n1CCc1cccs1 ZINC000171210018 1034227944 /nfs/dbraw/zinc/22/79/44/1034227944.db2.gz NQYUBHNWJYQMOB-UHFFFAOYSA-N 1 2 336.530 3.859 20 0 EHADLO Cc1noc(C)c1C[NH+](CCc1cscn1)Cc1c(C)noc1C ZINC000450417662 1034303744 /nfs/dbraw/zinc/30/37/44/1034303744.db2.gz CYLUEROWRNVJAV-UHFFFAOYSA-N 1 2 346.456 3.598 20 0 EHADLO CC[N@H+](C)[C@@H](c1nc(CC2(CSC)CC2)no1)c1ccccc1 ZINC000596607949 1034318644 /nfs/dbraw/zinc/31/86/44/1034318644.db2.gz GXMHLNYTCDJMRI-MRXNPFEDSA-N 1 2 331.485 3.796 20 0 EHADLO CC[N@@H+](C)[C@@H](c1nc(CC2(CSC)CC2)no1)c1ccccc1 ZINC000596607949 1034318661 /nfs/dbraw/zinc/31/86/61/1034318661.db2.gz GXMHLNYTCDJMRI-MRXNPFEDSA-N 1 2 331.485 3.796 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)s1 ZINC000668755400 1034319836 /nfs/dbraw/zinc/31/98/36/1034319836.db2.gz XWHIBKIFEPYDPJ-OAHLLOKOSA-N 1 2 341.542 3.944 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)s1 ZINC000668755400 1034319850 /nfs/dbraw/zinc/31/98/50/1034319850.db2.gz XWHIBKIFEPYDPJ-OAHLLOKOSA-N 1 2 341.542 3.944 20 0 EHADLO C[C@@H](O)C[C@@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450434781 1034320290 /nfs/dbraw/zinc/32/02/90/1034320290.db2.gz HCMCNSJLPBIGAV-RKDXNWHRSA-N 1 2 327.197 3.708 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614767 1034323369 /nfs/dbraw/zinc/32/33/69/1034323369.db2.gz XJJNCFWJUVHYJD-KBMXLJTQSA-N 1 2 347.484 3.846 20 0 EHADLO CC[C@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614767 1034323384 /nfs/dbraw/zinc/32/33/84/1034323384.db2.gz XJJNCFWJUVHYJD-KBMXLJTQSA-N 1 2 347.484 3.846 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](Cc2ccccc2)OC)cs1 ZINC000450442937 1034339875 /nfs/dbraw/zinc/33/98/75/1034339875.db2.gz UHQABWDFQCEDKJ-CRAIPNDOSA-N 1 2 348.512 3.930 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](Cc2ccccc2)OC)cs1 ZINC000450442937 1034339884 /nfs/dbraw/zinc/33/98/84/1034339884.db2.gz UHQABWDFQCEDKJ-CRAIPNDOSA-N 1 2 348.512 3.930 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000121068913 1034368897 /nfs/dbraw/zinc/36/88/97/1034368897.db2.gz ONCCVAXAXKUYGE-DZGCQCFKSA-N 1 2 337.533 3.969 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000121068913 1034368912 /nfs/dbraw/zinc/36/89/12/1034368912.db2.gz ONCCVAXAXKUYGE-DZGCQCFKSA-N 1 2 337.533 3.969 20 0 EHADLO Cc1cc(NC(=O)NCCCCCOC2CCCCC2)c(C)c[nH+]1 ZINC000534325135 1034399057 /nfs/dbraw/zinc/39/90/57/1034399057.db2.gz YRWSPEJLHNEXOT-UHFFFAOYSA-N 1 2 333.476 3.761 20 0 EHADLO O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534325164 1034399196 /nfs/dbraw/zinc/39/91/96/1034399196.db2.gz FPOYPHXRBKVVNF-MRXNPFEDSA-N 1 2 347.422 3.883 20 0 EHADLO CC[C@H](CSc1ccccc1)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534325351 1034399588 /nfs/dbraw/zinc/39/95/88/1034399588.db2.gz BUHSQWCNGQRBIO-OAHLLOKOSA-N 1 2 329.469 3.813 20 0 EHADLO C[C@H](O)CCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450484865 1034408994 /nfs/dbraw/zinc/40/89/94/1034408994.db2.gz NKVAOSPZLRYSII-VIFPVBQESA-N 1 2 327.197 3.709 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000604599808 1034419159 /nfs/dbraw/zinc/41/91/59/1034419159.db2.gz HQBOMCADGDXUQQ-IBGZPJMESA-N 1 2 346.434 3.571 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000604600233 1034420823 /nfs/dbraw/zinc/42/08/23/1034420823.db2.gz PHMFHCVIKHTZNZ-LJQANCHMSA-N 1 2 338.455 3.737 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121139696 1034470396 /nfs/dbraw/zinc/47/03/96/1034470396.db2.gz KKOITPSRLNGCSZ-SJLPKXTDSA-N 1 2 342.464 3.632 20 0 EHADLO Cc1ccc(F)c(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000450543671 1034498211 /nfs/dbraw/zinc/49/82/11/1034498211.db2.gz XUZLJJLQFUIGMU-UHFFFAOYSA-N 1 2 343.446 3.592 20 0 EHADLO Cc1cc(NCc2cccc(OCc3ccccn3)c2)nc(C2CC2)[nH+]1 ZINC000604756944 1034501138 /nfs/dbraw/zinc/50/11/38/1034501138.db2.gz LAOGJEQDOXUISB-UHFFFAOYSA-N 1 2 346.434 3.670 20 0 EHADLO O=C(N1CCC(CCCn2cc[nH+]c2)CC1)C1(C(F)(F)F)CCC1 ZINC000450539083 1034514998 /nfs/dbraw/zinc/51/49/98/1034514998.db2.gz IPVLODTZHMNDPR-UHFFFAOYSA-N 1 2 343.393 3.635 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000450581944 1034544733 /nfs/dbraw/zinc/54/47/33/1034544733.db2.gz JAKKVBAQJXGJME-UHFFFAOYSA-N 1 2 327.453 3.877 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccccc1OC1CC1 ZINC000450581944 1034544741 /nfs/dbraw/zinc/54/47/41/1034544741.db2.gz JAKKVBAQJXGJME-UHFFFAOYSA-N 1 2 327.453 3.877 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C(C)=O)c2)Cc2ccccc21 ZINC000450602792 1034555268 /nfs/dbraw/zinc/55/52/68/1034555268.db2.gz RUBXODDLGJVXSD-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(C)=O)c2)Cc2ccccc21 ZINC000450602792 1034555272 /nfs/dbraw/zinc/55/52/72/1034555272.db2.gz RUBXODDLGJVXSD-HXUWFJFHSA-N 1 2 337.419 3.552 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597152252 1034567036 /nfs/dbraw/zinc/56/70/36/1034567036.db2.gz YKKLZJJDZVGYAV-LBPRGKRZSA-N 1 2 332.469 3.991 20 0 EHADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597152252 1034567046 /nfs/dbraw/zinc/56/70/46/1034567046.db2.gz YKKLZJJDZVGYAV-LBPRGKRZSA-N 1 2 332.469 3.991 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cs1 ZINC000121226263 1034572020 /nfs/dbraw/zinc/57/20/20/1034572020.db2.gz IUDIYRKTMYIXQY-CQSZACIVSA-N 1 2 331.485 3.576 20 0 EHADLO CC(=O)Nc1ccccc1C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000597228301 1034611283 /nfs/dbraw/zinc/61/12/83/1034611283.db2.gz ALVDGOLYLITKKD-UHFFFAOYSA-N 1 2 348.487 3.835 20 0 EHADLO CC(=O)Nc1ccccc1C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000597228301 1034611296 /nfs/dbraw/zinc/61/12/96/1034611296.db2.gz ALVDGOLYLITKKD-UHFFFAOYSA-N 1 2 348.487 3.835 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(C)n2-c2ccccc2C)c1 ZINC000534518582 1034623762 /nfs/dbraw/zinc/62/37/62/1034623762.db2.gz BJSFISLAZZSNNH-UHFFFAOYSA-N 1 2 340.452 3.888 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000605119384 1034629098 /nfs/dbraw/zinc/62/90/98/1034629098.db2.gz QKLQXFGLQPTGLV-UHFFFAOYSA-N 1 2 342.508 3.661 20 0 EHADLO O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000529824419 1034632123 /nfs/dbraw/zinc/63/21/23/1034632123.db2.gz DHZHKGZWPWRSPD-HXUWFJFHSA-N 1 2 346.434 3.598 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000612247964 1034633057 /nfs/dbraw/zinc/63/30/57/1034633057.db2.gz FOVFBOPEPJWERM-HZPDHXFCSA-N 1 2 345.874 3.562 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1OC(F)F ZINC000450662373 1034657133 /nfs/dbraw/zinc/65/71/33/1034657133.db2.gz ILQHSVGGIWSKBR-HNNXBMFYSA-N 1 2 336.386 3.530 20 0 EHADLO COc1cccc2c(N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)cc[nH+]c12 ZINC000450674173 1034702789 /nfs/dbraw/zinc/70/27/89/1034702789.db2.gz BDCGYYYEUCJNRE-YXJHDRRASA-N 1 2 326.440 3.763 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@H](CC(C)C)c2ccccc2OC)n1 ZINC000450675385 1034703084 /nfs/dbraw/zinc/70/30/84/1034703084.db2.gz DAQLWUUSKLJQHU-CQSZACIVSA-N 1 2 348.468 3.815 20 0 EHADLO CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669607641 1034711416 /nfs/dbraw/zinc/71/14/16/1034711416.db2.gz DCVKNRHJEQILSO-GJZGRUSLSA-N 1 2 344.484 3.713 20 0 EHADLO COc1cccc(Cl)c1C[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000548915689 1034759977 /nfs/dbraw/zinc/75/99/77/1034759977.db2.gz HMYCBNFTOHGUTL-KRWDZBQOSA-N 1 2 344.846 3.878 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)c[nH+]1 ZINC000456846902 1034764384 /nfs/dbraw/zinc/76/43/84/1034764384.db2.gz UCSNAWGWIWQMHK-GOSISDBHSA-N 1 2 326.440 3.871 20 0 EHADLO Cc1oc(-c2cccs2)nc1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456838669 1034785100 /nfs/dbraw/zinc/78/51/00/1034785100.db2.gz CKTUHKSBWUIDAL-UHFFFAOYSA-N 1 2 341.436 3.582 20 0 EHADLO CC(C)(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172063985 1034793251 /nfs/dbraw/zinc/79/32/51/1034793251.db2.gz LMWFNBUANNPIAE-UHFFFAOYSA-N 1 2 333.435 3.757 20 0 EHADLO COc1ccccc1[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000529943759 1034805832 /nfs/dbraw/zinc/80/58/32/1034805832.db2.gz SYMFNWBMFCEIQI-AEFFLSMTSA-N 1 2 341.455 3.672 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000601930314 1034829294 /nfs/dbraw/zinc/82/92/94/1034829294.db2.gz GFLVQTRKHUDCSJ-QWHCGFSZSA-N 1 2 332.400 3.660 20 0 EHADLO Fc1cc2c(c(F)c1F)[C@@H](Nc1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000450833644 1034839469 /nfs/dbraw/zinc/83/94/69/1034839469.db2.gz KOYJCWUMSLLIBA-LBPRGKRZSA-N 1 2 334.345 3.594 20 0 EHADLO Fc1cc2c(c(F)c1F)[C@@H](Nc1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000450833644 1034839482 /nfs/dbraw/zinc/83/94/82/1034839482.db2.gz KOYJCWUMSLLIBA-LBPRGKRZSA-N 1 2 334.345 3.594 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000375891573 1034843847 /nfs/dbraw/zinc/84/38/47/1034843847.db2.gz WGWIGZNTDQUPPV-UFBFGSQYSA-N 1 2 339.363 3.597 20 0 EHADLO OC[C@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc(Cl)c1F ZINC000450903323 1034926057 /nfs/dbraw/zinc/92/60/57/1034926057.db2.gz KSSGFIZWLRBLAF-INIZCTEOSA-N 1 2 335.806 3.844 20 0 EHADLO CCCn1nccc1C1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000450926998 1034952913 /nfs/dbraw/zinc/95/29/13/1034952913.db2.gz NXEACBDXVGLSQO-UHFFFAOYSA-N 1 2 333.505 3.648 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)cc1 ZINC000450928890 1034954103 /nfs/dbraw/zinc/95/41/03/1034954103.db2.gz BNCQKRIUUZAPOJ-UHFFFAOYSA-N 1 2 345.464 3.753 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC(C)=C(c3ccco3)C2)cc1 ZINC000450928890 1034954109 /nfs/dbraw/zinc/95/41/09/1034954109.db2.gz BNCQKRIUUZAPOJ-UHFFFAOYSA-N 1 2 345.464 3.753 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530099050 1034961279 /nfs/dbraw/zinc/96/12/79/1034961279.db2.gz PAJIVEAVQQVBKD-KGLIPLIRSA-N 1 2 347.409 3.657 20 0 EHADLO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530099050 1034961286 /nfs/dbraw/zinc/96/12/86/1034961286.db2.gz PAJIVEAVQQVBKD-KGLIPLIRSA-N 1 2 347.409 3.657 20 0 EHADLO COc1ccc(Cl)cc1-c1nn(C[N@H+](C)CC(C)C)c(=S)[nH]1 ZINC000065943732 1034983924 /nfs/dbraw/zinc/98/39/24/1034983924.db2.gz CFNDGIXSYQCSML-UHFFFAOYSA-N 1 2 340.880 3.815 20 0 EHADLO COc1ccc(Cl)cc1-c1nn(C[N@@H+](C)CC(C)C)c(=S)[nH]1 ZINC000065943732 1034983929 /nfs/dbraw/zinc/98/39/29/1034983929.db2.gz CFNDGIXSYQCSML-UHFFFAOYSA-N 1 2 340.880 3.815 20 0 EHADLO CSCc1nn(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)o1 ZINC000065944364 1034984260 /nfs/dbraw/zinc/98/42/60/1034984260.db2.gz GSEAUQVVXSMQRB-MPEURRAXSA-N 1 2 325.503 3.537 20 0 EHADLO CSCc1nn(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=S)o1 ZINC000065944364 1034984271 /nfs/dbraw/zinc/98/42/71/1034984271.db2.gz GSEAUQVVXSMQRB-MPEURRAXSA-N 1 2 325.503 3.537 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000375945648 1034986656 /nfs/dbraw/zinc/98/66/56/1034986656.db2.gz GBGIUKFTNCDGOM-INIZCTEOSA-N 1 2 341.455 3.617 20 0 EHADLO Fc1ccccc1[C@@H](F)C1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450970186 1034995053 /nfs/dbraw/zinc/99/50/53/1034995053.db2.gz DBEUHGGBEAQYTG-IBGZPJMESA-N 1 2 346.425 3.750 20 0 EHADLO O=C1[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CCN1C1CCCCC1 ZINC000530124419 1034995481 /nfs/dbraw/zinc/99/54/81/1034995481.db2.gz LOEIHAZGCNUEJV-AZUAARDMSA-N 1 2 338.451 3.892 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@H](C)c2ccccc2OC(F)F)c1Cl ZINC000892500613 1035005911 /nfs/dbraw/zinc/00/59/11/1035005911.db2.gz XUCDTUYTDAHHFY-SECBINFHSA-N 1 2 329.778 3.834 20 0 EHADLO COCC1(c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)CCCCC1 ZINC000924075318 1035038791 /nfs/dbraw/zinc/03/87/91/1035038791.db2.gz VVIWGHCMZZXZIN-OAHLLOKOSA-N 1 2 332.448 3.750 20 0 EHADLO Cc1[nH]c(CNc2cnn(Cc3cc(F)ccc3Cl)c2)[nH+]c1C ZINC000570226752 1035147138 /nfs/dbraw/zinc/14/71/38/1035147138.db2.gz VHKVTOQBUCQBIS-UHFFFAOYSA-N 1 2 333.798 3.676 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H]3CCCC[C@H]31)C2 ZINC000376056177 1035193672 /nfs/dbraw/zinc/19/36/72/1035193672.db2.gz MXIWCSSOGBNOSD-RVKKMQEKSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]3CCCC[C@H]31)CC2 ZINC000376056177 1035193675 /nfs/dbraw/zinc/19/36/75/1035193675.db2.gz MXIWCSSOGBNOSD-RVKKMQEKSA-N 1 2 329.488 3.819 20 0 EHADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000628315236 1035197164 /nfs/dbraw/zinc/19/71/64/1035197164.db2.gz DHCVPMWPWOYMLR-CQSZACIVSA-N 1 2 334.261 3.688 20 0 EHADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000628315236 1035197167 /nfs/dbraw/zinc/19/71/67/1035197167.db2.gz DHCVPMWPWOYMLR-CQSZACIVSA-N 1 2 334.261 3.688 20 0 EHADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000177697931 1035330620 /nfs/dbraw/zinc/33/06/20/1035330620.db2.gz GCHFSIWHHPLGBZ-VWLVURMCSA-N 1 2 329.275 3.503 20 0 EHADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000177697931 1035330625 /nfs/dbraw/zinc/33/06/25/1035330625.db2.gz GCHFSIWHHPLGBZ-VWLVURMCSA-N 1 2 329.275 3.503 20 0 EHADLO CCC[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000613009688 1035354007 /nfs/dbraw/zinc/35/40/07/1035354007.db2.gz SCMOHDIGCHHCIU-WBVHZDCISA-N 1 2 345.874 3.973 20 0 EHADLO CC[N@H+](Cc1ccoc1)Cc1cn2ccc(Br)cc2n1 ZINC000685835591 1035368345 /nfs/dbraw/zinc/36/83/45/1035368345.db2.gz XZMGUVVMXLQKAT-UHFFFAOYSA-N 1 2 334.217 3.712 20 0 EHADLO CC[N@@H+](Cc1ccoc1)Cc1cn2ccc(Br)cc2n1 ZINC000685835591 1035368347 /nfs/dbraw/zinc/36/83/47/1035368347.db2.gz XZMGUVVMXLQKAT-UHFFFAOYSA-N 1 2 334.217 3.712 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CC=C(C(C)(C)C)CC2)c1Br ZINC000448330844 1035371436 /nfs/dbraw/zinc/37/14/36/1035371436.db2.gz FXUBMYAYXNGTBD-UHFFFAOYSA-N 1 2 326.282 3.669 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1Br ZINC000448330844 1035371441 /nfs/dbraw/zinc/37/14/41/1035371441.db2.gz FXUBMYAYXNGTBD-UHFFFAOYSA-N 1 2 326.282 3.669 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1nc3c(s1)CCC3)C2 ZINC000685851542 1035423123 /nfs/dbraw/zinc/42/31/23/1035423123.db2.gz NRCZTJFHAKZDAW-UHFFFAOYSA-N 1 2 326.465 3.688 20 0 EHADLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1nc3c(s1)CCC3)C2 ZINC000685851542 1035423124 /nfs/dbraw/zinc/42/31/24/1035423124.db2.gz NRCZTJFHAKZDAW-UHFFFAOYSA-N 1 2 326.465 3.688 20 0 EHADLO CCCSC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000892528354 1035428381 /nfs/dbraw/zinc/42/83/81/1035428381.db2.gz VDBLZWYLMRUWBD-PBHICJAKSA-N 1 2 333.501 3.639 20 0 EHADLO Cc1cc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(C)o1 ZINC000431774737 1035466950 /nfs/dbraw/zinc/46/69/50/1035466950.db2.gz ZQWSZELJETVDTB-OAHLLOKOSA-N 1 2 337.423 3.561 20 0 EHADLO CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173112136 1035521122 /nfs/dbraw/zinc/52/11/22/1035521122.db2.gz QIFOFLSLDQEDKU-CVEARBPZSA-N 1 2 344.459 3.908 20 0 EHADLO COc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1OC1CCCC1 ZINC000414110661 1035560970 /nfs/dbraw/zinc/56/09/70/1035560970.db2.gz IKXMDFICQPYKHH-AWEZNQCLSA-N 1 2 329.444 3.601 20 0 EHADLO c1csc([C@H](CNc2nccc3sccc32)[NH+]2CCOCC2)c1 ZINC000613355287 1035624626 /nfs/dbraw/zinc/62/46/26/1035624626.db2.gz VEDOTMCQCBHXPK-AWEZNQCLSA-N 1 2 345.493 3.843 20 0 EHADLO COc1ccc(F)c(N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000540744097 1035653993 /nfs/dbraw/zinc/65/39/93/1035653993.db2.gz HOJACGDRXYHEJC-FOIQADDNSA-N 1 2 344.430 3.708 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000463590380 1035661329 /nfs/dbraw/zinc/66/13/29/1035661329.db2.gz OYDNFLZRJYGISK-KYHPRHEASA-N 1 2 330.472 3.671 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000463590380 1035661335 /nfs/dbraw/zinc/66/13/35/1035661335.db2.gz OYDNFLZRJYGISK-KYHPRHEASA-N 1 2 330.472 3.671 20 0 EHADLO CCc1cnccc1[C@H](C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492339293 1035661984 /nfs/dbraw/zinc/66/19/84/1035661984.db2.gz CCOKVFXUTHVMDI-FSNWXROXSA-N 1 2 346.434 3.720 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1SC(F)F ZINC000178088672 1035705138 /nfs/dbraw/zinc/70/51/38/1035705138.db2.gz OIMSPCPKGKEGKV-UHFFFAOYSA-N 1 2 340.399 3.752 20 0 EHADLO COC(=O)CCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000540818724 1035706574 /nfs/dbraw/zinc/70/65/74/1035706574.db2.gz SXUKMYZRGIEJOK-UHFFFAOYSA-N 1 2 331.243 3.554 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000457090588 1035711304 /nfs/dbraw/zinc/71/13/04/1035711304.db2.gz SMGPBAOHZDDXID-GOSISDBHSA-N 1 2 339.483 3.759 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000186909379 1035718082 /nfs/dbraw/zinc/71/80/82/1035718082.db2.gz KHQVJKWFBUIIOT-GOSISDBHSA-N 1 2 348.450 3.860 20 0 EHADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000186909379 1035718099 /nfs/dbraw/zinc/71/80/99/1035718099.db2.gz KHQVJKWFBUIIOT-GOSISDBHSA-N 1 2 348.450 3.860 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000186925632 1035721627 /nfs/dbraw/zinc/72/16/27/1035721627.db2.gz DITCRROTGNZXGE-INIZCTEOSA-N 1 2 341.904 3.898 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000186925632 1035721644 /nfs/dbraw/zinc/72/16/44/1035721644.db2.gz DITCRROTGNZXGE-INIZCTEOSA-N 1 2 341.904 3.898 20 0 EHADLO CCC[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000913908321 1035749082 /nfs/dbraw/zinc/74/90/82/1035749082.db2.gz UNHLLKFPSRDVMW-INIZCTEOSA-N 1 2 346.500 3.545 20 0 EHADLO C[C@H](CC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)n1cc[nH+]c1 ZINC000571885406 1035773853 /nfs/dbraw/zinc/77/38/53/1035773853.db2.gz MFBMPHFNAPBILL-OAHLLOKOSA-N 1 2 349.438 3.611 20 0 EHADLO CN1CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000534938386 1035782897 /nfs/dbraw/zinc/78/28/97/1035782897.db2.gz DVTUKFMLZSUQDK-OAQYLSRUSA-N 1 2 333.435 3.830 20 0 EHADLO CN1CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000534938386 1035782913 /nfs/dbraw/zinc/78/29/13/1035782913.db2.gz DVTUKFMLZSUQDK-OAQYLSRUSA-N 1 2 333.435 3.830 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)CC3 ZINC000540913274 1035802926 /nfs/dbraw/zinc/80/29/26/1035802926.db2.gz FZBRIQUCRGZJJY-HNNXBMFYSA-N 1 2 348.450 3.589 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)s1 ZINC000414154554 1035804583 /nfs/dbraw/zinc/80/45/83/1035804583.db2.gz SFXIUMJYIWPFTD-LBPRGKRZSA-N 1 2 343.452 3.581 20 0 EHADLO CSc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)o1 ZINC000613423054 1035833333 /nfs/dbraw/zinc/83/33/33/1035833333.db2.gz HIEXRGQDPVJQIK-UHFFFAOYSA-N 1 2 347.484 3.839 20 0 EHADLO Cc1cc(F)cc(C)c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424671 1035841862 /nfs/dbraw/zinc/84/18/62/1035841862.db2.gz PQXUQMUZQKDOGN-UHFFFAOYSA-N 1 2 343.446 3.972 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000174072724 1035849077 /nfs/dbraw/zinc/84/90/77/1035849077.db2.gz VRPLDHPSMZFWCA-UHFFFAOYSA-N 1 2 346.406 3.555 20 0 EHADLO CC(C)c1nc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc2o1 ZINC000532391900 1035883231 /nfs/dbraw/zinc/88/32/31/1035883231.db2.gz UHLUHYUQQKMZFI-UHFFFAOYSA-N 1 2 349.394 3.921 20 0 EHADLO CC(C)(C)c1ncc(C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000063097940 1035909769 /nfs/dbraw/zinc/90/97/69/1035909769.db2.gz CGPWEAYKCPGAPK-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457273595 1035927618 /nfs/dbraw/zinc/92/76/18/1035927618.db2.gz IDBJQWCGKCNNEA-LPHOPBHVSA-N 1 2 335.451 3.974 20 0 EHADLO CC(C)c1ccc(C[C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000535032514 1035938160 /nfs/dbraw/zinc/93/81/60/1035938160.db2.gz VPBVUXQWHFHSGR-QGZVFWFLSA-N 1 2 342.487 3.717 20 0 EHADLO CC(C)OCc1noc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000929655715 1035941288 /nfs/dbraw/zinc/94/12/88/1035941288.db2.gz HNTZEXFOWJPXHM-UHFFFAOYSA-N 1 2 333.407 3.546 20 0 EHADLO CC(C)OCc1noc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000929655715 1035941301 /nfs/dbraw/zinc/94/13/01/1035941301.db2.gz HNTZEXFOWJPXHM-UHFFFAOYSA-N 1 2 333.407 3.546 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000613464269 1035962120 /nfs/dbraw/zinc/96/21/20/1035962120.db2.gz NENBEEILSNQXNK-HUUCEWRRSA-N 1 2 326.415 3.796 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000613464269 1035962139 /nfs/dbraw/zinc/96/21/39/1035962139.db2.gz NENBEEILSNQXNK-HUUCEWRRSA-N 1 2 326.415 3.796 20 0 EHADLO CCn1c(C[N@H+](C)Cc2cc(OC)cc(OC)c2)nc2ccccc21 ZINC000535070715 1035991262 /nfs/dbraw/zinc/99/12/62/1035991262.db2.gz YJJPGMUDWHRXRS-UHFFFAOYSA-N 1 2 339.439 3.705 20 0 EHADLO CCn1c(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)nc2ccccc21 ZINC000535070715 1035991276 /nfs/dbraw/zinc/99/12/76/1035991276.db2.gz YJJPGMUDWHRXRS-UHFFFAOYSA-N 1 2 339.439 3.705 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1F ZINC000178169848 1035995250 /nfs/dbraw/zinc/99/52/50/1035995250.db2.gz NVHUPFZHGXSICU-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000535075099 1035997844 /nfs/dbraw/zinc/99/78/44/1035997844.db2.gz WYYNYTQJOOQDOV-AWEZNQCLSA-N 1 2 346.393 3.802 20 0 EHADLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000535075099 1035997855 /nfs/dbraw/zinc/99/78/55/1035997855.db2.gz WYYNYTQJOOQDOV-AWEZNQCLSA-N 1 2 346.393 3.802 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000613486014 1036048771 /nfs/dbraw/zinc/04/87/71/1036048771.db2.gz LAEAEPYBRDCEIR-AWEZNQCLSA-N 1 2 348.849 3.831 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000613486014 1036048789 /nfs/dbraw/zinc/04/87/89/1036048789.db2.gz LAEAEPYBRDCEIR-AWEZNQCLSA-N 1 2 348.849 3.831 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000457385939 1036048564 /nfs/dbraw/zinc/04/85/64/1036048564.db2.gz MCIJCBWJZGDVMI-RDJZCZTQSA-N 1 2 346.862 3.562 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168445386 1036080162 /nfs/dbraw/zinc/08/01/62/1036080162.db2.gz KDJSRVCMLAQSPP-SJORKVTESA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168445386 1036080181 /nfs/dbraw/zinc/08/01/81/1036080181.db2.gz KDJSRVCMLAQSPP-SJORKVTESA-N 1 2 334.435 3.582 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000457396129 1036088554 /nfs/dbraw/zinc/08/85/54/1036088554.db2.gz YSRFLSUGXLCRMD-OALUTQOASA-N 1 2 340.471 3.546 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535155098 1036116377 /nfs/dbraw/zinc/11/63/77/1036116377.db2.gz BBCNRCVEFJDOCZ-IUIKQTSFSA-N 1 2 326.843 3.777 20 0 EHADLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535155098 1036116385 /nfs/dbraw/zinc/11/63/85/1036116385.db2.gz BBCNRCVEFJDOCZ-IUIKQTSFSA-N 1 2 326.843 3.777 20 0 EHADLO C[C@@H]1C[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CCCO1 ZINC000170766497 1036212905 /nfs/dbraw/zinc/21/29/05/1036212905.db2.gz CEGOTBWZNFMMMV-CYBMUJFWSA-N 1 2 336.888 3.998 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CCCO1 ZINC000170766497 1036212912 /nfs/dbraw/zinc/21/29/12/1036212912.db2.gz CEGOTBWZNFMMMV-CYBMUJFWSA-N 1 2 336.888 3.998 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535260007 1036249132 /nfs/dbraw/zinc/24/91/32/1036249132.db2.gz JTXJLNOZKFUJND-LJQANCHMSA-N 1 2 342.508 3.832 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000535261049 1036250987 /nfs/dbraw/zinc/25/09/87/1036250987.db2.gz LJKPHEFVGKSGSR-DOTOQJQBSA-N 1 2 335.517 3.544 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)CC(F)(F)F)CC2)s1 ZINC000457563812 1036262790 /nfs/dbraw/zinc/26/27/90/1036262790.db2.gz BQLFSNJGBWGFPO-LBPRGKRZSA-N 1 2 348.434 3.543 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000325304213 1036273966 /nfs/dbraw/zinc/27/39/66/1036273966.db2.gz QOLPVIFLESYLCV-LLVKDONJSA-N 1 2 343.814 3.848 20 0 EHADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCCO2 ZINC000414264276 1036334569 /nfs/dbraw/zinc/33/45/69/1036334569.db2.gz UDODWBQCJMSKSZ-CYBMUJFWSA-N 1 2 337.345 3.807 20 0 EHADLO Cc1cccc(/C=C\C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000492905065 1036376333 /nfs/dbraw/zinc/37/63/33/1036376333.db2.gz ZROQCAUQLAWBRS-OEIFXAAASA-N 1 2 349.478 3.947 20 0 EHADLO Cc1cc(Cl)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000152335131 1036384773 /nfs/dbraw/zinc/38/47/73/1036384773.db2.gz AZJXUYOMLUDSSV-UHFFFAOYSA-N 1 2 325.799 3.764 20 0 EHADLO CCC1(CC)C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[S@@]1=O ZINC000191502913 1036397406 /nfs/dbraw/zinc/39/74/06/1036397406.db2.gz REYZCIJCYPCOCO-QHCPKHFHSA-N 1 2 335.513 3.599 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[S@@]1=O ZINC000191502913 1036397426 /nfs/dbraw/zinc/39/74/26/1036397426.db2.gz REYZCIJCYPCOCO-QHCPKHFHSA-N 1 2 335.513 3.599 20 0 EHADLO CCSCc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609131575 1036401187 /nfs/dbraw/zinc/40/11/87/1036401187.db2.gz SGTCFQLGQBPSRK-QGZVFWFLSA-N 1 2 329.469 3.614 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(C3CC3)cc2)cs1 ZINC000191682284 1036402524 /nfs/dbraw/zinc/40/25/24/1036402524.db2.gz IZHWUVIAARDHHS-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO Fc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1Br ZINC000102409495 1036445375 /nfs/dbraw/zinc/44/53/75/1036445375.db2.gz XGWGTAJAFJHHFP-CYBMUJFWSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1Br ZINC000102409495 1036445384 /nfs/dbraw/zinc/44/53/84/1036445384.db2.gz XGWGTAJAFJHHFP-CYBMUJFWSA-N 1 2 338.224 3.622 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000457753897 1036479227 /nfs/dbraw/zinc/47/92/27/1036479227.db2.gz BHWZNAGWJCITIO-GFCCVEGCSA-N 1 2 343.393 3.514 20 0 EHADLO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000192184889 1036485222 /nfs/dbraw/zinc/48/52/22/1036485222.db2.gz ZPZBWCXCUROOFL-CQSZACIVSA-N 1 2 339.443 3.712 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](Cc1ccccc1Oc1cccnc1)C1CCC1 ZINC000192379857 1036501490 /nfs/dbraw/zinc/50/14/90/1036501490.db2.gz JJCIINMNXSJMEY-OAHLLOKOSA-N 1 2 340.423 3.790 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccccc1Oc1cccnc1)C1CCC1 ZINC000192379857 1036501496 /nfs/dbraw/zinc/50/14/96/1036501496.db2.gz JJCIINMNXSJMEY-OAHLLOKOSA-N 1 2 340.423 3.790 20 0 EHADLO CCCc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1-c1ccccc1C ZINC000428780374 1036509993 /nfs/dbraw/zinc/50/99/93/1036509993.db2.gz BTZFRGOGGJRDCF-UHFFFAOYSA-N 1 2 334.423 3.511 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 ZINC000192466795 1036512302 /nfs/dbraw/zinc/51/23/02/1036512302.db2.gz PFDPEJWEQALFOU-STQMWFEESA-N 1 2 337.379 3.877 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(OC(C)(C)C)n2)o1 ZINC000541623630 1036512891 /nfs/dbraw/zinc/51/28/91/1036512891.db2.gz UBBLLUUDIZQMTQ-MRXNPFEDSA-N 1 2 332.444 3.892 20 0 EHADLO CC(C)C[C@]1(C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457787342 1036514389 /nfs/dbraw/zinc/51/43/89/1036514389.db2.gz NKFYPMVFXZPYBI-FQEVSTJZSA-N 1 2 344.503 3.661 20 0 EHADLO Cc1nc(N[C@H](c2ccncc2)C2CC2)c(Br)c(C)[nH+]1 ZINC000897423640 1036517686 /nfs/dbraw/zinc/51/76/86/1036517686.db2.gz NOBNCYHFASSAKK-AWEZNQCLSA-N 1 2 333.233 3.814 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C)o1 ZINC000541629439 1036517453 /nfs/dbraw/zinc/51/74/53/1036517453.db2.gz DQULSWFKUAYROI-KRWDZBQOSA-N 1 2 344.455 3.801 20 0 EHADLO CC[C@H](CC(F)F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000457815879 1036529918 /nfs/dbraw/zinc/52/99/18/1036529918.db2.gz MFNKGDGSQSYJSC-LLVKDONJSA-N 1 2 341.789 3.823 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000493016213 1036546630 /nfs/dbraw/zinc/54/66/30/1036546630.db2.gz LHQWCQAIIHDSAO-YHYXMXQVSA-N 1 2 349.406 3.700 20 0 EHADLO O=C(/C=C/C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493051998 1036599805 /nfs/dbraw/zinc/59/98/05/1036599805.db2.gz PMEBWCAFLBXSBH-DVQDXYAYSA-N 1 2 327.472 3.672 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1ccn(C)n1 ZINC000541732871 1036601372 /nfs/dbraw/zinc/60/13/72/1036601372.db2.gz RBRRSXZPKUNOIN-GFCCVEGCSA-N 1 2 329.778 3.916 20 0 EHADLO Brc1ccc2onc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000685907167 1036639103 /nfs/dbraw/zinc/63/91/03/1036639103.db2.gz HJWRWONUQNWHQG-GFCCVEGCSA-N 1 2 347.216 3.628 20 0 EHADLO COc1ccccc1-c1ncc(C[NH2+]C(C)(C)c2nccs2)cn1 ZINC000491247812 1036641798 /nfs/dbraw/zinc/64/17/98/1036641798.db2.gz QTMUCVYAMGBYNP-UHFFFAOYSA-N 1 2 340.452 3.634 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC(C)(C)O1 ZINC000541769874 1036641796 /nfs/dbraw/zinc/64/17/96/1036641796.db2.gz HFKWQYQOMPUIPA-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC(C)(C)O1 ZINC000541769874 1036641804 /nfs/dbraw/zinc/64/18/04/1036641804.db2.gz HFKWQYQOMPUIPA-NSHDSACASA-N 1 2 335.341 3.766 20 0 EHADLO CCC(CC)[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccs1 ZINC000457935792 1036658119 /nfs/dbraw/zinc/65/81/19/1036658119.db2.gz JFWQCGPRVVEUSM-MRXNPFEDSA-N 1 2 334.489 3.501 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376422100 1036670132 /nfs/dbraw/zinc/67/01/32/1036670132.db2.gz QQHBSJJTTIFEOH-WBVHZDCISA-N 1 2 345.874 3.655 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000057088801 1036683957 /nfs/dbraw/zinc/68/39/57/1036683957.db2.gz KDYHVVXIYNYHFQ-UHFFFAOYSA-N 1 2 328.485 3.639 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000057088801 1036683967 /nfs/dbraw/zinc/68/39/67/1036683967.db2.gz KDYHVVXIYNYHFQ-UHFFFAOYSA-N 1 2 328.485 3.639 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(Cc1cccs1)Cc1cccs1 ZINC000176810139 1036700409 /nfs/dbraw/zinc/70/04/09/1036700409.db2.gz DDRYZCNZQRQAOA-UHFFFAOYSA-N 1 2 341.465 3.693 20 0 EHADLO O=C1Nc2ccccc2[C@]12CCN(c1cc[nH+]c3c(Cl)cccc13)C2 ZINC000376437221 1036771265 /nfs/dbraw/zinc/77/12/65/1036771265.db2.gz QTLXCHVQDKUWQT-HXUWFJFHSA-N 1 2 349.821 3.988 20 0 EHADLO COc1cc(Br)c(C[NH2+]Cc2ccc(C)o2)cc1OC ZINC000053036441 1036782727 /nfs/dbraw/zinc/78/27/27/1036782727.db2.gz KVCQFIBZWSMFHE-UHFFFAOYSA-N 1 2 340.217 3.658 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000162285008 1036839567 /nfs/dbraw/zinc/83/95/67/1036839567.db2.gz ULCGREFRGXIJSU-ZIAGYGMSSA-N 1 2 336.505 3.594 20 0 EHADLO CC(C)c1cc(O[C@@H]2C[NH2+]CC(F)(F)C2)ccc1Br ZINC001218277477 1036892107 /nfs/dbraw/zinc/89/21/07/1036892107.db2.gz GCTUVBRSDOTVHS-NSHDSACASA-N 1 2 334.204 3.949 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)s1 ZINC000103494304 1036931803 /nfs/dbraw/zinc/93/18/03/1036931803.db2.gz UPTKLPPNICMENK-GFCCVEGCSA-N 1 2 337.439 3.609 20 0 EHADLO C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177782103 1036932079 /nfs/dbraw/zinc/93/20/79/1036932079.db2.gz RKRVGFHETPUWHF-OAQYLSRUSA-N 1 2 348.450 3.598 20 0 EHADLO Cc1ccc(C[C@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177787900 1036934771 /nfs/dbraw/zinc/93/47/71/1036934771.db2.gz DLMWSUQEAZWUJB-LJQANCHMSA-N 1 2 348.450 3.559 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000177917053 1036967948 /nfs/dbraw/zinc/96/79/48/1036967948.db2.gz WMDHCOQHQRNANS-LLVKDONJSA-N 1 2 341.333 3.582 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000177917053 1036967966 /nfs/dbraw/zinc/96/79/66/1036967966.db2.gz WMDHCOQHQRNANS-LLVKDONJSA-N 1 2 341.333 3.582 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000542013901 1036976852 /nfs/dbraw/zinc/97/68/52/1036976852.db2.gz NSSFNVSSTQCPFU-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000542013901 1036976873 /nfs/dbraw/zinc/97/68/73/1036976873.db2.gz NSSFNVSSTQCPFU-MRXNPFEDSA-N 1 2 338.451 3.697 20 0 EHADLO Cc1cc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000462463395 1036994395 /nfs/dbraw/zinc/99/43/95/1036994395.db2.gz GJALZJKZASFPGX-UHFFFAOYSA-N 1 2 339.826 3.807 20 0 EHADLO CC[C@](C)([NH2+]Cc1cccc2c1OC(F)(F)O2)c1nccs1 ZINC000414361502 1036997172 /nfs/dbraw/zinc/99/71/72/1036997172.db2.gz SRJCBLMWXBTQFD-AWEZNQCLSA-N 1 2 326.368 3.880 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590725169 1037004818 /nfs/dbraw/zinc/00/48/18/1037004818.db2.gz FJHVWSIKTXJLQQ-LJQANCHMSA-N 1 2 340.471 3.597 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc(C)c1F ZINC000178191418 1037006557 /nfs/dbraw/zinc/00/65/57/1037006557.db2.gz YJDMKNGKMZZKMT-UHFFFAOYSA-N 1 2 345.399 3.633 20 0 EHADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590727023 1037008082 /nfs/dbraw/zinc/00/80/82/1037008082.db2.gz HRVZBEZENJUNPK-ZIAGYGMSSA-N 1 2 349.887 3.881 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000053238119 1037068594 /nfs/dbraw/zinc/06/85/94/1037068594.db2.gz MRIYMYZEZYLLOW-UHFFFAOYSA-N 1 2 344.842 3.952 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000053238119 1037068606 /nfs/dbraw/zinc/06/86/06/1037068606.db2.gz MRIYMYZEZYLLOW-UHFFFAOYSA-N 1 2 344.842 3.952 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000462521565 1037072822 /nfs/dbraw/zinc/07/28/22/1037072822.db2.gz PRKCVQHWRAGMCU-OAHLLOKOSA-N 1 2 335.517 3.717 20 0 EHADLO CCOC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000666456585 1037074062 /nfs/dbraw/zinc/07/40/62/1037074062.db2.gz OKZFWKDEPNKLFU-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590845440 1037080640 /nfs/dbraw/zinc/08/06/40/1037080640.db2.gz NONJJMCEGPQTFL-UONOGXRCSA-N 1 2 332.835 3.644 20 0 EHADLO Cc1ccc([C@@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000590848425 1037083416 /nfs/dbraw/zinc/08/34/16/1037083416.db2.gz LLHHIASEHWMWHT-RBUKOAKNSA-N 1 2 338.455 3.689 20 0 EHADLO O=C(NCc1csc2ccccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590854789 1037100953 /nfs/dbraw/zinc/10/09/53/1037100953.db2.gz WHANCUCOYWDOIP-HNNXBMFYSA-N 1 2 340.452 3.645 20 0 EHADLO O=C(NCCCCCc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590873594 1037109193 /nfs/dbraw/zinc/10/91/93/1037109193.db2.gz PPHQVNNJXBAACK-IBGZPJMESA-N 1 2 340.471 3.643 20 0 EHADLO CSCc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105034295 1037139867 /nfs/dbraw/zinc/13/98/67/1037139867.db2.gz VYMWQBFHRXGHJW-UHFFFAOYSA-N 1 2 344.484 3.958 20 0 EHADLO CCc1ncc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000414379550 1037147400 /nfs/dbraw/zinc/14/74/00/1037147400.db2.gz HBWVLBJACMFMDY-UHFFFAOYSA-N 1 2 332.451 3.945 20 0 EHADLO CCc1ncc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000414379550 1037147411 /nfs/dbraw/zinc/14/74/11/1037147411.db2.gz HBWVLBJACMFMDY-UHFFFAOYSA-N 1 2 332.451 3.945 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000591061373 1037221717 /nfs/dbraw/zinc/22/17/17/1037221717.db2.gz JMDNXMUUSWAKOX-UHFFFAOYSA-N 1 2 332.473 3.592 20 0 EHADLO CC[C@@H](CC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000104230957 1037253544 /nfs/dbraw/zinc/25/35/44/1037253544.db2.gz XOEZYNBZDRJSIU-SFHVURJKSA-N 1 2 327.472 3.662 20 0 EHADLO COc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000105957524 1037265737 /nfs/dbraw/zinc/26/57/37/1037265737.db2.gz BJLPDSCTOJMNHV-UHFFFAOYSA-N 1 2 333.800 3.848 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccccc1F ZINC000653792304 1037266317 /nfs/dbraw/zinc/26/63/17/1037266317.db2.gz ANAGTPUQHJNEJG-SUMWQHHRSA-N 1 2 325.391 3.603 20 0 EHADLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000052710748 1037269153 /nfs/dbraw/zinc/26/91/53/1037269153.db2.gz KBSGUMVWJKZXHQ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000052710748 1037269171 /nfs/dbraw/zinc/26/91/71/1037269171.db2.gz KBSGUMVWJKZXHQ-UHFFFAOYSA-N 1 2 341.386 3.695 20 0 EHADLO CCc1ncc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000414392040 1037288419 /nfs/dbraw/zinc/28/84/19/1037288419.db2.gz CONQSJLFCNUOKP-HNNXBMFYSA-N 1 2 344.890 3.571 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000465255457 1037289321 /nfs/dbraw/zinc/28/93/21/1037289321.db2.gz NUGRTEVCJLHUIQ-FRQCXROJSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c(Cl)c1 ZINC000573106879 1037289918 /nfs/dbraw/zinc/28/99/18/1037289918.db2.gz YFMICEOUKVYEAZ-HNNXBMFYSA-N 1 2 343.858 3.780 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c(Cl)c1 ZINC000573106879 1037289936 /nfs/dbraw/zinc/28/99/36/1037289936.db2.gz YFMICEOUKVYEAZ-HNNXBMFYSA-N 1 2 343.858 3.780 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414392335 1037290422 /nfs/dbraw/zinc/29/04/22/1037290422.db2.gz FMJBQOGMRJOOPD-ZDUSSCGKSA-N 1 2 329.531 3.800 20 0 EHADLO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414392335 1037290435 /nfs/dbraw/zinc/29/04/35/1037290435.db2.gz FMJBQOGMRJOOPD-ZDUSSCGKSA-N 1 2 329.531 3.800 20 0 EHADLO Cc1nc2c(s1)[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)CCC2 ZINC000532453521 1037323031 /nfs/dbraw/zinc/32/30/31/1037323031.db2.gz XSTKMVUEAMTDPG-IRXDYDNUSA-N 1 2 338.480 3.942 20 0 EHADLO CC(C)CSCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000042883902 1037352296 /nfs/dbraw/zinc/35/22/96/1037352296.db2.gz BVHLAISCRBSLSV-UHFFFAOYSA-N 1 2 341.546 3.703 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)c(OC(F)F)c1 ZINC000539912114 1037360740 /nfs/dbraw/zinc/36/07/40/1037360740.db2.gz PNTPHVMMOWXNLQ-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c(OC(F)F)c1 ZINC000539912114 1037360755 /nfs/dbraw/zinc/36/07/55/1037360755.db2.gz PNTPHVMMOWXNLQ-UHFFFAOYSA-N 1 2 344.789 3.921 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCc1ccccc1F)C1CCCC1 ZINC000493459097 1037370541 /nfs/dbraw/zinc/37/05/41/1037370541.db2.gz UARPSIZCFPQDSX-KTKRTIGZSA-N 1 2 327.403 3.576 20 0 EHADLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000493509056 1037438267 /nfs/dbraw/zinc/43/82/67/1037438267.db2.gz ACTPRQHZPCYOEV-UKRRQHHQSA-N 1 2 348.491 3.648 20 0 EHADLO C[NH+](C)[C@@H](CNc1ccc2ccc(F)cc2n1)c1c(F)cccc1F ZINC000462830934 1037454895 /nfs/dbraw/zinc/45/48/95/1037454895.db2.gz CEYIFLIXSUOJIU-KRWDZBQOSA-N 1 2 345.368 3.789 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491412901 1037463271 /nfs/dbraw/zinc/46/32/71/1037463271.db2.gz AWVJJFFYWMDDTK-HJWRWDBZSA-N 1 2 331.419 3.982 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2c[nH]cn2)ccc1OCc1ccccc1 ZINC000171129705 1037465933 /nfs/dbraw/zinc/46/59/33/1037465933.db2.gz RVEKUSFKTIOCIN-OAHLLOKOSA-N 1 2 337.423 3.848 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC(c2ccccc2)C1 ZINC000573439076 1037495245 /nfs/dbraw/zinc/49/52/45/1037495245.db2.gz MRVUZUXEHCRFDV-SOAGJPPSSA-N 1 2 345.446 3.994 20 0 EHADLO Clc1cc2cccnc2c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193589629 1037514485 /nfs/dbraw/zinc/51/44/85/1037514485.db2.gz YLAIYWJIMKLJTP-CQSZACIVSA-N 1 2 326.831 3.991 20 0 EHADLO CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505374 1037532580 /nfs/dbraw/zinc/53/25/80/1037532580.db2.gz HAEDRWSLPJXDFU-KGLIPLIRSA-N 1 2 330.925 3.535 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488892 1037561447 /nfs/dbraw/zinc/56/14/47/1037561447.db2.gz VHSRSFLBEPJMAT-IBGZPJMESA-N 1 2 331.456 3.572 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000573488089 1037583643 /nfs/dbraw/zinc/58/36/43/1037583643.db2.gz HQDURSGJOJCKAB-HZPDHXFCSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000573488089 1037583648 /nfs/dbraw/zinc/58/36/48/1037583648.db2.gz HQDURSGJOJCKAB-HZPDHXFCSA-N 1 2 337.847 3.516 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000493731482 1037589896 /nfs/dbraw/zinc/58/98/96/1037589896.db2.gz XMDYXSMOTYZSHQ-LOJACCTISA-N 1 2 339.439 3.608 20 0 EHADLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507853 1037593250 /nfs/dbraw/zinc/59/32/50/1037593250.db2.gz RJIFUQKTVQRXPQ-RKDXNWHRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000573507853 1037593263 /nfs/dbraw/zinc/59/32/63/1037593263.db2.gz RJIFUQKTVQRXPQ-RKDXNWHRSA-N 1 2 338.698 3.757 20 0 EHADLO C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000914307603 1037611636 /nfs/dbraw/zinc/61/16/36/1037611636.db2.gz FSXIBNKLOGHPTO-HKUYNNGSSA-N 1 2 340.471 3.641 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)s1 ZINC000540165568 1037649571 /nfs/dbraw/zinc/64/95/71/1037649571.db2.gz ZNBDBZUVYQMUMD-GFCCVEGCSA-N 1 2 333.457 3.674 20 0 EHADLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000591809973 1037652532 /nfs/dbraw/zinc/65/25/32/1037652532.db2.gz ARXYXXOBWNQXPX-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000591809973 1037652543 /nfs/dbraw/zinc/65/25/43/1037652543.db2.gz ARXYXXOBWNQXPX-SFHVURJKSA-N 1 2 344.842 3.742 20 0 EHADLO C[C@H]1C[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H](C)S1 ZINC000532571464 1037670060 /nfs/dbraw/zinc/67/00/60/1037670060.db2.gz KEQSMJDVNVKWEH-STQMWFEESA-N 1 2 347.509 3.574 20 0 EHADLO Cc1ccoc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000493914425 1037708377 /nfs/dbraw/zinc/70/83/77/1037708377.db2.gz AAGCGJVDQQOQHF-LBPRGKRZSA-N 1 2 348.472 3.598 20 0 EHADLO Cc1ccoc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000493914425 1037708399 /nfs/dbraw/zinc/70/83/99/1037708399.db2.gz AAGCGJVDQQOQHF-LBPRGKRZSA-N 1 2 348.472 3.598 20 0 EHADLO Cc1cc(N[C@H]2COc3c2ccc(Cl)c3Cl)nc(C2CC2)[nH+]1 ZINC000463078896 1037748344 /nfs/dbraw/zinc/74/83/44/1037748344.db2.gz UWBLUUCMJQMHSQ-LBPRGKRZSA-N 1 2 336.222 3.937 20 0 EHADLO CN1CCC[C@H]([NH2+]Cc2nc(-c3ccsc3)no2)c2ccccc21 ZINC000573793143 1037748544 /nfs/dbraw/zinc/74/85/44/1037748544.db2.gz ZVFUCLYVIJLFKM-HNNXBMFYSA-N 1 2 340.452 3.859 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780772 1037765397 /nfs/dbraw/zinc/76/53/97/1037765397.db2.gz ZVFRSPYUCXEYFP-JKSUJKDBSA-N 1 2 326.444 3.566 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)O1 ZINC000573780772 1037765412 /nfs/dbraw/zinc/76/54/12/1037765412.db2.gz ZVFRSPYUCXEYFP-JKSUJKDBSA-N 1 2 326.444 3.566 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000112975732 1037770766 /nfs/dbraw/zinc/77/07/66/1037770766.db2.gz HZRGWZLNAALQAF-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000112975732 1037770782 /nfs/dbraw/zinc/77/07/82/1037770782.db2.gz HZRGWZLNAALQAF-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000157622663 1037771642 /nfs/dbraw/zinc/77/16/42/1037771642.db2.gz VOIWZMIBPWPCFU-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000157622663 1037771658 /nfs/dbraw/zinc/77/16/58/1037771658.db2.gz VOIWZMIBPWPCFU-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000651257542 1037809760 /nfs/dbraw/zinc/80/97/60/1037809760.db2.gz JCPPBBUTESBGLH-WBAXXEDZSA-N 1 2 344.434 3.766 20 0 EHADLO CSCC[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(=O)OC(C)(C)C ZINC001168460344 1037819910 /nfs/dbraw/zinc/81/99/10/1037819910.db2.gz SCFCCFBPAXQKPP-BBRMVZONSA-N 1 2 341.492 3.810 20 0 EHADLO c1ccc(C[C@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000592109316 1037823283 /nfs/dbraw/zinc/82/32/83/1037823283.db2.gz YOMLPBOIFZUYPX-LJQANCHMSA-N 1 2 336.483 3.926 20 0 EHADLO c1ccc(C[C@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)cc1 ZINC000592109316 1037823305 /nfs/dbraw/zinc/82/33/05/1037823305.db2.gz YOMLPBOIFZUYPX-LJQANCHMSA-N 1 2 336.483 3.926 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000378068453 1037824093 /nfs/dbraw/zinc/82/40/93/1037824093.db2.gz JMRGGZBFSCZCDW-SFHVURJKSA-N 1 2 326.444 3.590 20 0 EHADLO C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1cccc2[nH]ccc21 ZINC000494076625 1037828806 /nfs/dbraw/zinc/82/88/06/1037828806.db2.gz CORMOSZNXWYBJB-UHFFFAOYSA-N 1 2 346.434 3.968 20 0 EHADLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1cccc2[nH]ccc21 ZINC000494076625 1037828829 /nfs/dbraw/zinc/82/88/29/1037828829.db2.gz CORMOSZNXWYBJB-UHFFFAOYSA-N 1 2 346.434 3.968 20 0 EHADLO Cc1ccccc1C1([NH2+]Cc2csc(CC(=O)OC(C)C)n2)CC1 ZINC000592140026 1037842034 /nfs/dbraw/zinc/84/20/34/1037842034.db2.gz UQFYPFFLXMRWQW-UHFFFAOYSA-N 1 2 344.480 3.725 20 0 EHADLO CCCc1csc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000494125949 1037845273 /nfs/dbraw/zinc/84/52/73/1037845273.db2.gz LXOODLSUCLZIPM-QGZVFWFLSA-N 1 2 329.513 3.850 20 0 EHADLO CCCc1csc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494125949 1037845299 /nfs/dbraw/zinc/84/52/99/1037845299.db2.gz LXOODLSUCLZIPM-QGZVFWFLSA-N 1 2 329.513 3.850 20 0 EHADLO O=C(c1ccc(Cl)c2cccnc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079618 1037850983 /nfs/dbraw/zinc/85/09/83/1037850983.db2.gz RBCLCUDZQLHINY-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO O=C(c1ccc(Cl)c2cccnc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079618 1037851004 /nfs/dbraw/zinc/85/10/04/1037851004.db2.gz RBCLCUDZQLHINY-UHFFFAOYSA-N 1 2 340.814 3.631 20 0 EHADLO CC(C)CC1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCC1 ZINC000119269418 1037890911 /nfs/dbraw/zinc/89/09/11/1037890911.db2.gz KYSZNZCJFMDELA-QGZVFWFLSA-N 1 2 331.504 3.808 20 0 EHADLO O=C(C1CCC(c2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173051800 1037900361 /nfs/dbraw/zinc/90/03/61/1037900361.db2.gz BIZBSNXFFHRQOI-UHFFFAOYSA-N 1 2 349.478 3.704 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000119516768 1037906362 /nfs/dbraw/zinc/90/63/62/1037906362.db2.gz QERZBUNDUPDPBC-YVEFUNNKSA-N 1 2 347.409 3.627 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000463230720 1037907015 /nfs/dbraw/zinc/90/70/15/1037907015.db2.gz QLEGEWYIEPTPHM-SFHVURJKSA-N 1 2 334.847 3.521 20 0 EHADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCOc1cccc(Cl)c1 ZINC000463230720 1037907027 /nfs/dbraw/zinc/90/70/27/1037907027.db2.gz QLEGEWYIEPTPHM-SFHVURJKSA-N 1 2 334.847 3.521 20 0 EHADLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000506482503 1037931712 /nfs/dbraw/zinc/93/17/12/1037931712.db2.gz TVWPRDIKJDGXJT-SAPNQHFASA-N 1 2 338.426 3.687 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cnc2ccc(Cl)cn12 ZINC000463249910 1037951405 /nfs/dbraw/zinc/95/14/05/1037951405.db2.gz HUOOVCYQRKFCPA-UHFFFAOYSA-N 1 2 343.793 3.530 20 0 EHADLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184418133 1038036132 /nfs/dbraw/zinc/03/61/32/1038036132.db2.gz BYABLFSGWUFAPT-CABCVRRESA-N 1 2 330.863 3.570 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000416083761 1038042570 /nfs/dbraw/zinc/04/25/70/1038042570.db2.gz VTYDKCNUHBJKDX-GQIGUUNPSA-N 1 2 349.478 3.909 20 0 EHADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(F)cc3)CCCC2)no1 ZINC000124064454 1038130628 /nfs/dbraw/zinc/13/06/28/1038130628.db2.gz BDGNHLIFIIJXTP-UHFFFAOYSA-N 1 2 346.450 3.610 20 0 EHADLO Cc1cc(N[C@H]2C[C@@H](S(C)(=O)=O)C2)[nH+]c2c1cccc2C(C)C ZINC001168250275 1038136358 /nfs/dbraw/zinc/13/63/58/1038136358.db2.gz CHOYIYGMWUTONJ-OKILXGFUSA-N 1 2 332.469 3.654 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1ccco1 ZINC000124198677 1038149044 /nfs/dbraw/zinc/14/90/44/1038149044.db2.gz DESDDZIUUGHOSQ-SFHVURJKSA-N 1 2 326.371 3.958 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccc(-c2ccc(Cl)s2)nn1 ZINC000651333011 1038204319 /nfs/dbraw/zinc/20/43/19/1038204319.db2.gz UJDLUOGKBRJGSH-UHFFFAOYSA-N 1 2 333.848 3.582 20 0 EHADLO c1cc(C[N@H+](Cc2nnnn2-c2ccccc2)C2CCCCC2)co1 ZINC000124938454 1038257146 /nfs/dbraw/zinc/25/71/46/1038257146.db2.gz INVWLVFFWZMJKO-UHFFFAOYSA-N 1 2 337.427 3.590 20 0 EHADLO c1cc(C[N@@H+](Cc2nnnn2-c2ccccc2)C2CCCCC2)co1 ZINC000124938454 1038257162 /nfs/dbraw/zinc/25/71/62/1038257162.db2.gz INVWLVFFWZMJKO-UHFFFAOYSA-N 1 2 337.427 3.590 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000042976656 1038277165 /nfs/dbraw/zinc/27/71/65/1038277165.db2.gz ZBZLIOANGXBWFY-UHFFFAOYSA-N 1 2 326.440 3.569 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000042976656 1038277177 /nfs/dbraw/zinc/27/71/77/1038277177.db2.gz ZBZLIOANGXBWFY-UHFFFAOYSA-N 1 2 326.440 3.569 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(c2ccccc2)CC1 ZINC000107179371 1038305979 /nfs/dbraw/zinc/30/59/79/1038305979.db2.gz UFLOFSHMBGUEKX-UHFFFAOYSA-N 1 2 349.478 3.810 20 0 EHADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339136193 1038427544 /nfs/dbraw/zinc/42/75/44/1038427544.db2.gz ZHQDTLQWDOFIBB-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c(C)[nH+]1 ZINC000667119136 1038457777 /nfs/dbraw/zinc/45/77/77/1038457777.db2.gz JXRVBZSTYLAMEG-OALUTQOASA-N 1 2 341.455 3.887 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c(C)[nH+]1 ZINC000667119467 1038458084 /nfs/dbraw/zinc/45/80/84/1038458084.db2.gz VCLMJSDKEYARJA-JCNLHEQBSA-N 1 2 325.412 3.738 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000659954100 1038499882 /nfs/dbraw/zinc/49/98/82/1038499882.db2.gz ZYHKVMBVAFPNHR-VBKZILBWSA-N 1 2 337.398 3.731 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000659954100 1038499888 /nfs/dbraw/zinc/49/98/88/1038499888.db2.gz ZYHKVMBVAFPNHR-VBKZILBWSA-N 1 2 337.398 3.731 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000538725431 1038506402 /nfs/dbraw/zinc/50/64/02/1038506402.db2.gz VKZJIFQZNMOXTE-AWEZNQCLSA-N 1 2 330.394 3.544 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cc(C)nc(C)n3)[C@@H](C)CO2)c1 ZINC000659957439 1038506650 /nfs/dbraw/zinc/50/66/50/1038506650.db2.gz SCWQGUMMGPVKHU-JXFKEZNVSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cc(C)nc(C)n3)[C@@H](C)CO2)c1 ZINC000659957439 1038506661 /nfs/dbraw/zinc/50/66/61/1038506661.db2.gz SCWQGUMMGPVKHU-JXFKEZNVSA-N 1 2 325.456 3.672 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000538750492 1038514047 /nfs/dbraw/zinc/51/40/47/1038514047.db2.gz GBPJVKJXMBGHLB-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccc(-c2n[nH]cc2C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000538750492 1038514050 /nfs/dbraw/zinc/51/40/50/1038514050.db2.gz GBPJVKJXMBGHLB-FQEVSTJZSA-N 1 2 349.434 3.659 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)CCc2c[nH+]cn2C)cc1Cl ZINC000339166854 1038524121 /nfs/dbraw/zinc/52/41/21/1038524121.db2.gz FSJJQDWGYDDQEV-UHFFFAOYSA-N 1 2 342.226 3.697 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538936864 1038602258 /nfs/dbraw/zinc/60/22/58/1038602258.db2.gz XJCNEMDIGOVEEI-LJQANCHMSA-N 1 2 332.407 3.539 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000472982079 1038602894 /nfs/dbraw/zinc/60/28/94/1038602894.db2.gz AKQJSESNBSLGJM-HOTGVXAUSA-N 1 2 340.471 3.981 20 0 EHADLO CC(C)(CC(F)(F)F)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000667173870 1038620366 /nfs/dbraw/zinc/62/03/66/1038620366.db2.gz WICWPVITKXBGGG-UHFFFAOYSA-N 1 2 343.324 3.606 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c1 ZINC000182792376 1038638363 /nfs/dbraw/zinc/63/83/63/1038638363.db2.gz UFFUGRAYJVTZNX-KRWDZBQOSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c1 ZINC000182792376 1038638367 /nfs/dbraw/zinc/63/83/67/1038638367.db2.gz UFFUGRAYJVTZNX-KRWDZBQOSA-N 1 2 339.483 3.605 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCc2ncsc2C1 ZINC000363855955 1038698467 /nfs/dbraw/zinc/69/84/67/1038698467.db2.gz PRKZUXYNRBAYHA-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCc2ncsc2C1 ZINC000363855955 1038698470 /nfs/dbraw/zinc/69/84/70/1038698470.db2.gz PRKZUXYNRBAYHA-UHFFFAOYSA-N 1 2 325.412 3.903 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000667224346 1038761713 /nfs/dbraw/zinc/76/17/13/1038761713.db2.gz HUPUKVOLHKKQFR-IAGOWNOFSA-N 1 2 327.428 3.587 20 0 EHADLO CC1(O)CCN(c2cc(NCCC3=CCCCCC3)[nH+]cn2)CC1 ZINC000663807632 1038776969 /nfs/dbraw/zinc/77/69/69/1038776969.db2.gz USLPWKJWWZBYRG-UHFFFAOYSA-N 1 2 330.476 3.520 20 0 EHADLO CC1(O)CCN(c2cc(NCCC3=CCCCCC3)nc[nH+]2)CC1 ZINC000663807632 1038776981 /nfs/dbraw/zinc/77/69/81/1038776981.db2.gz USLPWKJWWZBYRG-UHFFFAOYSA-N 1 2 330.476 3.520 20 0 EHADLO CC(C)[C@@H](C)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000539334713 1038784684 /nfs/dbraw/zinc/78/46/84/1038784684.db2.gz GQWPLBHRIPPYPH-LLVKDONJSA-N 1 2 329.271 3.733 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)F ZINC000363889941 1038786454 /nfs/dbraw/zinc/78/64/54/1038786454.db2.gz YWFJVNCSHZRUCQ-CYBMUJFWSA-N 1 2 346.397 3.666 20 0 EHADLO CC(C)(C)C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)F ZINC000363889941 1038786463 /nfs/dbraw/zinc/78/64/63/1038786463.db2.gz YWFJVNCSHZRUCQ-CYBMUJFWSA-N 1 2 346.397 3.666 20 0 EHADLO COCCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)o1 ZINC000893261263 1038786902 /nfs/dbraw/zinc/78/69/02/1038786902.db2.gz XKRHDTDSYLBVFH-UHFFFAOYSA-N 1 2 337.366 3.752 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccccc1Cl ZINC000488174223 1038931715 /nfs/dbraw/zinc/93/17/15/1038931715.db2.gz WKKFOQMXVXQNRE-OAHLLOKOSA-N 1 2 328.794 3.684 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000570036162 1038937540 /nfs/dbraw/zinc/93/75/40/1038937540.db2.gz KGHUADMKAFSANH-KGLIPLIRSA-N 1 2 344.459 3.720 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464648 1038940432 /nfs/dbraw/zinc/94/04/32/1038940432.db2.gz IAYSJMTZSSOORL-GOSISDBHSA-N 1 2 331.485 3.583 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464648 1038940448 /nfs/dbraw/zinc/94/04/48/1038940448.db2.gz IAYSJMTZSSOORL-GOSISDBHSA-N 1 2 331.485 3.583 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000667581003 1038940498 /nfs/dbraw/zinc/94/04/98/1038940498.db2.gz MNCNDCVHIFVSMX-VXGBXAGGSA-N 1 2 329.831 3.501 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000760622703 1038998158 /nfs/dbraw/zinc/99/81/58/1038998158.db2.gz DRUUZANGJBVANP-INIZCTEOSA-N 1 2 345.462 3.702 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@]45CCO[C@H]4CCCC5)n3)c2)c[nH+]1 ZINC000923890189 1039022094 /nfs/dbraw/zinc/02/20/94/1039022094.db2.gz XQNHDCPFPBFHNW-QFBILLFUSA-N 1 2 336.395 3.523 20 0 EHADLO CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001125891558 1039030859 /nfs/dbraw/zinc/03/08/59/1039030859.db2.gz URPFFYIPCSNOLO-UHFFFAOYSA-N 1 2 330.472 3.530 20 0 EHADLO CSc1ccc(OCCO[NH+]=C(N)Cc2cccc(F)c2)cc1 ZINC000783152491 1039035002 /nfs/dbraw/zinc/03/50/02/1039035002.db2.gz ONXMXDUYJDXZGF-UHFFFAOYSA-N 1 2 334.416 3.668 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753494 1039036952 /nfs/dbraw/zinc/03/69/52/1039036952.db2.gz CZHIZFCFNDBEFK-FZMZJTMJSA-N 1 2 348.365 3.713 20 0 EHADLO O[C@@H]([C@@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000432753494 1039036967 /nfs/dbraw/zinc/03/69/67/1039036967.db2.gz CZHIZFCFNDBEFK-FZMZJTMJSA-N 1 2 348.365 3.713 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905734725 1039067805 /nfs/dbraw/zinc/06/78/05/1039067805.db2.gz QGVHXSAIFAGZOL-LBPRGKRZSA-N 1 2 344.406 3.579 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905734725 1039067824 /nfs/dbraw/zinc/06/78/24/1039067824.db2.gz QGVHXSAIFAGZOL-LBPRGKRZSA-N 1 2 344.406 3.579 20 0 EHADLO O=C(c1csc(Cl)c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910780893 1039087744 /nfs/dbraw/zinc/08/77/44/1039087744.db2.gz JSJJBEJQRAYEJZ-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO O=C(c1csc(Cl)c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910780893 1039087757 /nfs/dbraw/zinc/08/77/57/1039087757.db2.gz JSJJBEJQRAYEJZ-UHFFFAOYSA-N 1 2 332.856 3.502 20 0 EHADLO CO[C@@H](Cc1ccccc1)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000418915129 1039118923 /nfs/dbraw/zinc/11/89/23/1039118923.db2.gz CENPIDJCMLJWHR-ZDUSSCGKSA-N 1 2 335.329 3.708 20 0 EHADLO CCn1cncc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000668492785 1039122283 /nfs/dbraw/zinc/12/22/83/1039122283.db2.gz BSNASOIWJBFUBQ-UHFFFAOYSA-N 1 2 339.270 3.532 20 0 EHADLO CCc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C ZINC000582093859 1039155281 /nfs/dbraw/zinc/15/52/81/1039155281.db2.gz JCINRGRMPHWRJC-UHFFFAOYSA-N 1 2 333.435 3.983 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)n1 ZINC000432784916 1039169100 /nfs/dbraw/zinc/16/91/00/1039169100.db2.gz JIFQBCZRUMWJGD-JTQLQIEISA-N 1 2 347.465 3.780 20 0 EHADLO CCCCOC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488440528 1039184974 /nfs/dbraw/zinc/18/49/74/1039184974.db2.gz JSJRJTCAUIHLPB-UHFFFAOYSA-N 1 2 347.434 3.581 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cnn2ccccc12 ZINC000185745983 1039201595 /nfs/dbraw/zinc/20/15/95/1039201595.db2.gz SKGITNJYYSAOGO-UHFFFAOYSA-N 1 2 349.438 3.723 20 0 EHADLO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000660118952 1039209050 /nfs/dbraw/zinc/20/90/50/1039209050.db2.gz UUDCDGURBPIISZ-FOCJUVANSA-N 1 2 339.888 3.536 20 0 EHADLO C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000660118952 1039209062 /nfs/dbraw/zinc/20/90/62/1039209062.db2.gz UUDCDGURBPIISZ-FOCJUVANSA-N 1 2 339.888 3.536 20 0 EHADLO Fc1cccc([C@@H]2CC[N@H+](Cc3ncc(Cl)nc3Cl)C2)c1 ZINC001141137705 1039237566 /nfs/dbraw/zinc/23/75/66/1039237566.db2.gz CVMYYDJWVDKSFG-LLVKDONJSA-N 1 2 326.202 3.912 20 0 EHADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)c1 ZINC001141137705 1039237583 /nfs/dbraw/zinc/23/75/83/1039237583.db2.gz CVMYYDJWVDKSFG-LLVKDONJSA-N 1 2 326.202 3.912 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000552357623 1039239969 /nfs/dbraw/zinc/23/99/69/1039239969.db2.gz JGPLVTBWXNNSQE-HNNXBMFYSA-N 1 2 333.398 3.639 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000552357623 1039239976 /nfs/dbraw/zinc/23/99/76/1039239976.db2.gz JGPLVTBWXNNSQE-HNNXBMFYSA-N 1 2 333.398 3.639 20 0 EHADLO COc1ncc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000367438237 1039240199 /nfs/dbraw/zinc/24/01/99/1039240199.db2.gz LQXCINYAXIROPG-BXUZGUMPSA-N 1 2 349.866 3.644 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C)n1 ZINC000552412851 1039264927 /nfs/dbraw/zinc/26/49/27/1039264927.db2.gz VRXZCZIUHAARQS-SFHVURJKSA-N 1 2 346.858 3.934 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(C)n1 ZINC000552412851 1039264941 /nfs/dbraw/zinc/26/49/41/1039264941.db2.gz VRXZCZIUHAARQS-SFHVURJKSA-N 1 2 346.858 3.934 20 0 EHADLO CC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC[NH2+]1 ZINC000552425490 1039275402 /nfs/dbraw/zinc/27/54/02/1039275402.db2.gz WVVCPPKQIMXGEA-UHFFFAOYSA-N 1 2 344.842 3.537 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C(C)C)n1 ZINC000448590024 1039325667 /nfs/dbraw/zinc/32/56/67/1039325667.db2.gz OXQSIUUXMHBSJD-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000488675733 1039334298 /nfs/dbraw/zinc/33/42/98/1039334298.db2.gz XINGKQMVDHPIKZ-UGSOOPFHSA-N 1 2 330.378 3.763 20 0 EHADLO C[C@@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000488675733 1039334303 /nfs/dbraw/zinc/33/43/03/1039334303.db2.gz XINGKQMVDHPIKZ-UGSOOPFHSA-N 1 2 330.378 3.763 20 0 EHADLO CSCCCCc1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000906137498 1039335757 /nfs/dbraw/zinc/33/57/57/1039335757.db2.gz LGCUUSHRZXQMKE-UHFFFAOYSA-N 1 2 328.441 3.532 20 0 EHADLO CCCc1[nH+]c(C)cc(OCc2ncc(Cl)s2)c1C(=O)OC ZINC000419042337 1039344051 /nfs/dbraw/zinc/34/40/51/1039344051.db2.gz HKVLQBMEISXUBF-UHFFFAOYSA-N 1 2 340.832 3.818 20 0 EHADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726100 1039347679 /nfs/dbraw/zinc/34/76/79/1039347679.db2.gz NEZKABSDWRMPQP-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000488726100 1039347698 /nfs/dbraw/zinc/34/76/98/1039347698.db2.gz NEZKABSDWRMPQP-BBRMVZONSA-N 1 2 349.862 3.876 20 0 EHADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000432814883 1039350813 /nfs/dbraw/zinc/35/08/13/1039350813.db2.gz YAXVSDWTCWCQFA-ZFWWWQNUSA-N 1 2 348.288 3.808 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Br)CC[C@@H]1c1ccccc1 ZINC000432814883 1039350827 /nfs/dbraw/zinc/35/08/27/1039350827.db2.gz YAXVSDWTCWCQFA-ZFWWWQNUSA-N 1 2 348.288 3.808 20 0 EHADLO Cc1cccn2cc(Cc3nc(C4(c5ccccc5F)CC4)no3)[nH+]c12 ZINC000643138968 1039366270 /nfs/dbraw/zinc/36/62/70/1039366270.db2.gz SLQXBBDXKNWJHV-UHFFFAOYSA-N 1 2 348.381 3.836 20 0 EHADLO CCC(C)(C)OCc1cccc(NC(=O)CCn2cc[nH+]c2)c1C ZINC000488796000 1039399471 /nfs/dbraw/zinc/39/94/71/1039399471.db2.gz GONULDWKQVLADC-UHFFFAOYSA-N 1 2 329.444 3.926 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724770 1039467440 /nfs/dbraw/zinc/46/74/40/1039467440.db2.gz SLAADKHSSMYMKB-WBAXXEDZSA-N 1 2 338.442 3.899 20 0 EHADLO CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000485724770 1039467448 /nfs/dbraw/zinc/46/74/48/1039467448.db2.gz SLAADKHSSMYMKB-WBAXXEDZSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000651424877 1039515804 /nfs/dbraw/zinc/51/58/04/1039515804.db2.gz GFDQGWYWINDWTL-BDJLRTHQSA-N 1 2 334.261 3.596 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000432839504 1039527303 /nfs/dbraw/zinc/52/73/03/1039527303.db2.gz MEQDPUZHJUJYDA-SNVBAGLBSA-N 1 2 342.365 3.852 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000488998908 1039532917 /nfs/dbraw/zinc/53/29/17/1039532917.db2.gz BHPZFMSUDRMHKE-CYBMUJFWSA-N 1 2 333.432 3.598 20 0 EHADLO Fc1cccnc1O[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000488998908 1039532933 /nfs/dbraw/zinc/53/29/33/1039532933.db2.gz BHPZFMSUDRMHKE-CYBMUJFWSA-N 1 2 333.432 3.598 20 0 EHADLO CCc1oc2ccccc2c1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000552847403 1039564066 /nfs/dbraw/zinc/56/40/66/1039564066.db2.gz XMPYOCNBTBUNOK-AWEZNQCLSA-N 1 2 325.412 3.801 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@@H](C3CCCCC3)C2)oc1C ZINC000432866158 1039566219 /nfs/dbraw/zinc/56/62/19/1039566219.db2.gz NQXRGIARSGSOOH-SCLBCKFNSA-N 1 2 335.444 3.717 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@@H](C3CCCCC3)C2)oc1C ZINC000432866158 1039566234 /nfs/dbraw/zinc/56/62/34/1039566234.db2.gz NQXRGIARSGSOOH-SCLBCKFNSA-N 1 2 335.444 3.717 20 0 EHADLO CO[C@H](CC(C)C)C[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000419197315 1039613040 /nfs/dbraw/zinc/61/30/40/1039613040.db2.gz ARCYXJJRLJSEHH-QGZVFWFLSA-N 1 2 349.475 3.960 20 0 EHADLO Cc1sc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1C(C)C ZINC000667370694 1039614061 /nfs/dbraw/zinc/61/40/61/1039614061.db2.gz HKKULHVMRXOVOF-LBPRGKRZSA-N 1 2 333.461 3.710 20 0 EHADLO CSc1cc(Cl)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000667379962 1039645150 /nfs/dbraw/zinc/64/51/50/1039645150.db2.gz KHAWEBZFPUGPFY-UHFFFAOYSA-N 1 2 338.864 3.812 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@H](C)c1ccccc1)C2 ZINC000364075438 1039663133 /nfs/dbraw/zinc/66/31/33/1039663133.db2.gz STYJIKJATUQXHR-ZMSDIMECSA-N 1 2 339.483 3.946 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@H](C)c1ccccc1)CC2 ZINC000364075438 1039663142 /nfs/dbraw/zinc/66/31/42/1039663142.db2.gz STYJIKJATUQXHR-ZMSDIMECSA-N 1 2 339.483 3.946 20 0 EHADLO CN(C(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1)c1ccccc1 ZINC000485886770 1039673409 /nfs/dbraw/zinc/67/34/09/1039673409.db2.gz CYDJQMKIVIKCEA-UHFFFAOYSA-N 1 2 344.405 3.807 20 0 EHADLO COc1c(F)cccc1C[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001143536358 1039703859 /nfs/dbraw/zinc/70/38/59/1039703859.db2.gz CJYGEDXCTYEEAD-UHFFFAOYSA-N 1 2 332.394 3.604 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1C ZINC000667698003 1039708122 /nfs/dbraw/zinc/70/81/22/1039708122.db2.gz UNUJSLFIVILCSP-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cncc(Br)c1C ZINC000667698003 1039708138 /nfs/dbraw/zinc/70/81/38/1039708138.db2.gz UNUJSLFIVILCSP-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1OCCc2ccccc21 ZINC000511622214 1039741767 /nfs/dbraw/zinc/74/17/67/1039741767.db2.gz CKKGCIQTIGCNLH-HXUWFJFHSA-N 1 2 333.435 3.823 20 0 EHADLO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1OCCc2ccccc21 ZINC000511622214 1039741779 /nfs/dbraw/zinc/74/17/79/1039741779.db2.gz CKKGCIQTIGCNLH-HXUWFJFHSA-N 1 2 333.435 3.823 20 0 EHADLO COc1cccc(C=C2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)c1 ZINC000473027607 1039857288 /nfs/dbraw/zinc/85/72/88/1039857288.db2.gz YKOZQFZGMCLUBZ-UHFFFAOYSA-N 1 2 344.499 3.727 20 0 EHADLO Clc1ccc([C@H](NCC[NH+]2CCC2)c2cccnc2)c(Cl)c1 ZINC000925606452 1039860640 /nfs/dbraw/zinc/86/06/40/1039860640.db2.gz JORBHKLQZUQOMA-QGZVFWFLSA-N 1 2 336.266 3.773 20 0 EHADLO CCc1nc(N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc(C)[nH+]1 ZINC000584797464 1039893975 /nfs/dbraw/zinc/89/39/75/1039893975.db2.gz NYWQKNOPPMPMLY-SJLPKXTDSA-N 1 2 325.456 3.931 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1nc(Cc2ccccc2)no1 ZINC000893977153 1039916627 /nfs/dbraw/zinc/91/66/27/1039916627.db2.gz WHYRUGLLBIMDQU-HUUCEWRRSA-N 1 2 349.434 3.835 20 0 EHADLO CC[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(OC)c(OC)c1 ZINC000553265652 1039921245 /nfs/dbraw/zinc/92/12/45/1039921245.db2.gz VXYDDIRSDWMCRW-AWEZNQCLSA-N 1 2 325.412 3.576 20 0 EHADLO Fc1ccccc1OCc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000188353311 1039930951 /nfs/dbraw/zinc/93/09/51/1039930951.db2.gz STMWMQVHAZSMQI-UHFFFAOYSA-N 1 2 336.326 3.640 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000893986066 1039940525 /nfs/dbraw/zinc/94/05/25/1039940525.db2.gz OWHRCKUXHSIOKR-KRWDZBQOSA-N 1 2 327.453 3.532 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cn4ccnc4s3)CCO2)cc1 ZINC000893986066 1039940541 /nfs/dbraw/zinc/94/05/41/1039940541.db2.gz OWHRCKUXHSIOKR-KRWDZBQOSA-N 1 2 327.453 3.532 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)nc3c2CCCC3)[nH]1 ZINC000894010316 1039950221 /nfs/dbraw/zinc/95/02/21/1039950221.db2.gz WYVNIFKDDYWTRN-OCCSQVGLSA-N 1 2 327.476 3.751 20 0 EHADLO Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000486215127 1039990136 /nfs/dbraw/zinc/99/01/36/1039990136.db2.gz ANERIJZBWXRXNR-UHFFFAOYSA-N 1 2 340.810 3.892 20 0 EHADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000554960363 1039998090 /nfs/dbraw/zinc/99/80/90/1039998090.db2.gz MWKOAZPOIZWHLX-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000554960363 1039998112 /nfs/dbraw/zinc/99/81/12/1039998112.db2.gz MWKOAZPOIZWHLX-WMZOPIPTSA-N 1 2 339.439 3.579 20 0 EHADLO CCn1cc(Cl)cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000907313972 1040012318 /nfs/dbraw/zinc/01/23/18/1040012318.db2.gz KPFVEWZTKBJYML-UHFFFAOYSA-N 1 2 348.878 3.691 20 0 EHADLO CC1(O)CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000894056262 1040022543 /nfs/dbraw/zinc/02/25/43/1040022543.db2.gz BIXQNYKFKBHAMO-UHFFFAOYSA-N 1 2 325.456 3.992 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC000907439272 1040046747 /nfs/dbraw/zinc/04/67/47/1040046747.db2.gz WNVDBYLJMGXVPV-CQSZACIVSA-N 1 2 330.378 3.915 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000512546824 1040074183 /nfs/dbraw/zinc/07/41/83/1040074183.db2.gz GQJJIGMTVBOTJR-ZIAGYGMSSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000512546824 1040074192 /nfs/dbraw/zinc/07/41/92/1040074192.db2.gz GQJJIGMTVBOTJR-ZIAGYGMSSA-N 1 2 344.405 3.935 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1 ZINC000894093576 1040074485 /nfs/dbraw/zinc/07/44/85/1040074485.db2.gz GUAFVSNPTLFKQY-INIZCTEOSA-N 1 2 329.419 3.910 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1 ZINC000894093576 1040074498 /nfs/dbraw/zinc/07/44/98/1040074498.db2.gz GUAFVSNPTLFKQY-INIZCTEOSA-N 1 2 329.419 3.910 20 0 EHADLO C[C@H](CCNC(=O)c1ccccc1C[NH+]1CCOCC1)CC(C)(C)C ZINC000489621157 1040096116 /nfs/dbraw/zinc/09/61/16/1040096116.db2.gz RXOLQUWTKJGSLQ-QGZVFWFLSA-N 1 2 346.515 3.711 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000899170327 1040109029 /nfs/dbraw/zinc/10/90/29/1040109029.db2.gz OZJIKMLNPQQVAL-OAHLLOKOSA-N 1 2 345.468 3.533 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000899170327 1040109040 /nfs/dbraw/zinc/10/90/40/1040109040.db2.gz OZJIKMLNPQQVAL-OAHLLOKOSA-N 1 2 345.468 3.533 20 0 EHADLO FC(F)c1sccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000923964187 1040110693 /nfs/dbraw/zinc/11/06/93/1040110693.db2.gz QMNYKDGFPUBKKO-GXSJLCMTSA-N 1 2 341.383 3.662 20 0 EHADLO FC(F)c1sccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000923964187 1040110707 /nfs/dbraw/zinc/11/07/07/1040110707.db2.gz QMNYKDGFPUBKKO-GXSJLCMTSA-N 1 2 341.383 3.662 20 0 EHADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907673998 1040124427 /nfs/dbraw/zinc/12/44/27/1040124427.db2.gz CZUXSPPNGZRKLQ-IXDOHACOSA-N 1 2 340.471 3.502 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000188952657 1040127742 /nfs/dbraw/zinc/12/77/42/1040127742.db2.gz QPLCSNSYNGRNRK-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)cc1 ZINC000188952657 1040127746 /nfs/dbraw/zinc/12/77/46/1040127746.db2.gz QPLCSNSYNGRNRK-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO O=C(c1ccc(Cl)cc1F)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927101538 1040147232 /nfs/dbraw/zinc/14/72/32/1040147232.db2.gz NTEQYDCBPHRMFF-UHFFFAOYSA-N 1 2 333.794 3.591 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)Cc1cn3cccc(C)c3[nH+]1)CCC2 ZINC000553525536 1040165856 /nfs/dbraw/zinc/16/58/56/1040165856.db2.gz GAEMXXXAYWBRGJ-LJQANCHMSA-N 1 2 333.435 3.687 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810610 1040178247 /nfs/dbraw/zinc/17/82/47/1040178247.db2.gz PNIAJIAOAGSZGK-YJBOKZPZSA-N 1 2 347.503 3.636 20 0 EHADLO CCC[C@H](OCC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810610 1040178258 /nfs/dbraw/zinc/17/82/58/1040178258.db2.gz PNIAJIAOAGSZGK-YJBOKZPZSA-N 1 2 347.503 3.636 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000667475616 1040187866 /nfs/dbraw/zinc/18/78/66/1040187866.db2.gz XGFOSBNRGVJZAV-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000667475616 1040187878 /nfs/dbraw/zinc/18/78/78/1040187878.db2.gz XGFOSBNRGVJZAV-UHFFFAOYSA-N 1 2 349.303 3.672 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2F)cc1OC ZINC000667476431 1040188943 /nfs/dbraw/zinc/18/89/43/1040188943.db2.gz YPWXLGXOXAKQMN-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2F)cc1OC ZINC000667476431 1040188949 /nfs/dbraw/zinc/18/89/49/1040188949.db2.gz YPWXLGXOXAKQMN-UHFFFAOYSA-N 1 2 325.330 3.753 20 0 EHADLO CCn1c[nH+]cc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000417769303 1040225765 /nfs/dbraw/zinc/22/57/65/1040225765.db2.gz SIYDQMXNQQBOHK-MRXNPFEDSA-N 1 2 340.254 3.783 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCO1 ZINC000907935236 1040233521 /nfs/dbraw/zinc/23/35/21/1040233521.db2.gz QPFUXFGAVBYYPF-KDOFPFPSSA-N 1 2 339.439 3.640 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(Br)ccc1N1CCCC1 ZINC000417822532 1040256501 /nfs/dbraw/zinc/25/65/01/1040256501.db2.gz ISGIXGLNEQMSEU-UHFFFAOYSA-N 1 2 349.276 3.878 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCCC1 ZINC000553635723 1040260825 /nfs/dbraw/zinc/26/08/25/1040260825.db2.gz KKDGZVKMPBGLSE-OAHLLOKOSA-N 1 2 326.444 3.871 20 0 EHADLO Cc1nc(CN2CC[NH+](Cc3cc4ccc(C)cc4[nH]3)CC2)cs1 ZINC000667492650 1040265859 /nfs/dbraw/zinc/26/58/59/1040265859.db2.gz QBDFHAUSPKPDQM-UHFFFAOYSA-N 1 2 340.496 3.559 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000908070894 1040285101 /nfs/dbraw/zinc/28/51/01/1040285101.db2.gz GAUYNZRNPANXNG-SWLSCSKDSA-N 1 2 327.255 3.663 20 0 EHADLO OC1CC[NH+](c2ccc(NCc3cccc4c3NCCC4)cc2)CC1 ZINC000894101986 1040323665 /nfs/dbraw/zinc/32/36/65/1040323665.db2.gz FWLRXNGBZYMHKX-UHFFFAOYSA-N 1 2 337.467 3.618 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3ccsc3)n2)cc1 ZINC000152927880 1040329889 /nfs/dbraw/zinc/32/98/89/1040329889.db2.gz WYMUXXUBJWLYPX-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccsc3)n2)cc1 ZINC000152927880 1040329896 /nfs/dbraw/zinc/32/98/96/1040329896.db2.gz WYMUXXUBJWLYPX-GFCCVEGCSA-N 1 2 329.425 4.000 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1cccc(CO)c1 ZINC000479548946 1040357452 /nfs/dbraw/zinc/35/74/52/1040357452.db2.gz YFJDFBWJSFVNNU-MEDUHNTESA-N 1 2 340.250 3.870 20 0 EHADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000151582573 1040390728 /nfs/dbraw/zinc/39/07/28/1040390728.db2.gz OSZZVBHIMJPGRW-ATZDWAIDSA-N 1 2 338.455 3.553 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1CCCc1ccsc1)c1ccccc1 ZINC000473041300 1040437262 /nfs/dbraw/zinc/43/72/62/1040437262.db2.gz LAEVDHHCULLJHP-GOSISDBHSA-N 1 2 329.465 3.655 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1CCCc1ccsc1)c1ccccc1 ZINC000473041300 1040437272 /nfs/dbraw/zinc/43/72/72/1040437272.db2.gz LAEVDHHCULLJHP-GOSISDBHSA-N 1 2 329.465 3.655 20 0 EHADLO CC[N@H+](CC(=O)N(C)Cc1ccoc1C)Cc1ccccc1Cl ZINC000339257461 1040503445 /nfs/dbraw/zinc/50/34/45/1040503445.db2.gz SFLSCUGLUAGBDT-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO CC[N@@H+](CC(=O)N(C)Cc1ccoc1C)Cc1ccccc1Cl ZINC000339257461 1040503459 /nfs/dbraw/zinc/50/34/59/1040503459.db2.gz SFLSCUGLUAGBDT-UHFFFAOYSA-N 1 2 334.847 3.722 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)CC[S@]1=O ZINC000433040492 1040525871 /nfs/dbraw/zinc/52/58/71/1040525871.db2.gz QVFQZLPITSAIRL-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)CC[S@]1=O ZINC000433040492 1040525883 /nfs/dbraw/zinc/52/58/83/1040525883.db2.gz QVFQZLPITSAIRL-MZNJEOGPSA-N 1 2 343.492 3.609 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@@]1=O ZINC000433039133 1040527037 /nfs/dbraw/zinc/52/70/37/1040527037.db2.gz KJHPCOKCXHQQID-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@@]1=O ZINC000433039133 1040527056 /nfs/dbraw/zinc/52/70/56/1040527056.db2.gz KJHPCOKCXHQQID-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913041336 1040537954 /nfs/dbraw/zinc/53/79/54/1040537954.db2.gz YODICZRYJQTYTQ-FQEVSTJZSA-N 1 2 349.409 3.623 20 0 EHADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913041336 1040537973 /nfs/dbraw/zinc/53/79/73/1040537973.db2.gz YODICZRYJQTYTQ-FQEVSTJZSA-N 1 2 349.409 3.623 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000555421840 1040558593 /nfs/dbraw/zinc/55/85/93/1040558593.db2.gz QDJGMPWTNJGMIK-UHFFFAOYSA-N 1 2 345.531 3.982 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000555421840 1040558614 /nfs/dbraw/zinc/55/86/14/1040558614.db2.gz QDJGMPWTNJGMIK-UHFFFAOYSA-N 1 2 345.531 3.982 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@H+]2Cc2ccn(C(F)F)n2)c1 ZINC000418092267 1040568085 /nfs/dbraw/zinc/56/80/85/1040568085.db2.gz HKVOINLSJGOWRK-CQSZACIVSA-N 1 2 327.325 3.764 20 0 EHADLO Fc1ccc(F)c(C[C@H]2CCC[N@@H+]2Cc2ccn(C(F)F)n2)c1 ZINC000418092267 1040568090 /nfs/dbraw/zinc/56/80/90/1040568090.db2.gz HKVOINLSJGOWRK-CQSZACIVSA-N 1 2 327.325 3.764 20 0 EHADLO Cc1cn2cc(NC(=O)COc3ccc4c(c3)CCCC4)ccc2[nH+]1 ZINC000481268463 1040580336 /nfs/dbraw/zinc/58/03/36/1040580336.db2.gz ZHSMIYPTJMVXNF-UHFFFAOYSA-N 1 2 335.407 3.539 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]C/C=C\c1ccncc1)c1ccc(Cl)cc1 ZINC000486935726 1040583243 /nfs/dbraw/zinc/58/32/43/1040583243.db2.gz MBGNRBQGKRDVNU-LHRDXKRPSA-N 1 2 338.842 3.861 20 0 EHADLO COCc1cnc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)s1 ZINC000668715150 1040610137 /nfs/dbraw/zinc/61/01/37/1040610137.db2.gz KWANFVNLUBNRLW-UHFFFAOYSA-N 1 2 344.480 3.649 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@@H]1CCc2c1nccc2Cl)c1ccco1 ZINC000924856630 1040745220 /nfs/dbraw/zinc/74/52/20/1040745220.db2.gz XHLRXOJJUIJARC-HZPDHXFCSA-N 1 2 333.863 3.988 20 0 EHADLO Cc1nc(C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)no1 ZINC000092787835 1040784634 /nfs/dbraw/zinc/78/46/34/1040784634.db2.gz GMJQUDHJCCQYDZ-UHFFFAOYSA-N 1 2 343.324 3.916 20 0 EHADLO CCC[N@@H+](Cc1ncoc1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000092793883 1040788337 /nfs/dbraw/zinc/78/83/37/1040788337.db2.gz MKOVFGRMTCFKRD-HNNXBMFYSA-N 1 2 330.428 3.850 20 0 EHADLO CCC[N@H+](Cc1ncoc1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000092793883 1040788355 /nfs/dbraw/zinc/78/83/55/1040788355.db2.gz MKOVFGRMTCFKRD-HNNXBMFYSA-N 1 2 330.428 3.850 20 0 EHADLO CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000487279435 1040873849 /nfs/dbraw/zinc/87/38/49/1040873849.db2.gz WAOUNCSOTGOESB-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000487279435 1040873866 /nfs/dbraw/zinc/87/38/66/1040873866.db2.gz WAOUNCSOTGOESB-OAHLLOKOSA-N 1 2 338.854 3.750 20 0 EHADLO CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc2ccccc21 ZINC000899654766 1040922636 /nfs/dbraw/zinc/92/26/36/1040922636.db2.gz IQCBBPAUUJIRPE-OXQOHEQNSA-N 1 2 333.435 3.866 20 0 EHADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000481457847 1040929684 /nfs/dbraw/zinc/92/96/84/1040929684.db2.gz GQIWQUQRQQIMFH-IAQYHMDHSA-N 1 2 337.851 3.886 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc2ccccc21 ZINC000899657411 1040944084 /nfs/dbraw/zinc/94/40/84/1040944084.db2.gz PKZPONGJGMERNZ-APWZRJJASA-N 1 2 333.435 3.866 20 0 EHADLO Cn1ccc([C@H]([NH2+]C/C=C/c2ccncc2)c2ccc(Cl)cc2)n1 ZINC000487549303 1040953276 /nfs/dbraw/zinc/95/32/76/1040953276.db2.gz GHAKZAIRTBDHSQ-LSTKMXGYSA-N 1 2 338.842 3.861 20 0 EHADLO Cn1ccc([C@H]([NH2+]C/C=C\c2ccncc2)c2ccc(Cl)cc2)n1 ZINC000487549302 1040953519 /nfs/dbraw/zinc/95/35/19/1040953519.db2.gz GHAKZAIRTBDHSQ-FFPCURRISA-N 1 2 338.842 3.861 20 0 EHADLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433167610 1040954969 /nfs/dbraw/zinc/95/49/69/1040954969.db2.gz JLYLJKXJDHIQSS-QGZVFWFLSA-N 1 2 344.480 3.854 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494543 1040971438 /nfs/dbraw/zinc/97/14/38/1040971438.db2.gz CEIMVXNILUUMBB-XIKOKIGWSA-N 1 2 331.456 3.588 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000481494543 1040971462 /nfs/dbraw/zinc/97/14/62/1040971462.db2.gz CEIMVXNILUUMBB-XIKOKIGWSA-N 1 2 331.456 3.588 20 0 EHADLO C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccc(F)c1 ZINC000487604549 1040985833 /nfs/dbraw/zinc/98/58/33/1040985833.db2.gz YYLKZPWYAJGIJF-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccc(F)c1 ZINC000487604549 1040985855 /nfs/dbraw/zinc/98/58/55/1040985855.db2.gz YYLKZPWYAJGIJF-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3csc4ccccc34)[nH+]c12 ZINC000586751953 1040999787 /nfs/dbraw/zinc/99/97/87/1040999787.db2.gz PUUNDJUZHWACHR-UHFFFAOYSA-N 1 2 335.432 3.716 20 0 EHADLO Cc1cc(N(C)C[C@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487643068 1041012877 /nfs/dbraw/zinc/01/28/77/1041012877.db2.gz PDEOPKJJWMQCQM-GFCCVEGCSA-N 1 2 340.345 3.915 20 0 EHADLO Cc1cc(F)ccc1C1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000433198056 1041045821 /nfs/dbraw/zinc/04/58/21/1041045821.db2.gz DDZQJJFVGKISAM-UHFFFAOYSA-N 1 2 330.451 3.929 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000487696368 1041055934 /nfs/dbraw/zinc/05/59/34/1041055934.db2.gz YQGYPOLEHKMZRR-RTBURBONSA-N 1 2 340.471 3.641 20 0 EHADLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(C)c(F)c(F)c1)C2 ZINC001143610809 1041058940 /nfs/dbraw/zinc/05/89/40/1041058940.db2.gz IAWLYRJXCRFFHX-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(C)c(F)c(F)c1)C2 ZINC001143610809 1041058960 /nfs/dbraw/zinc/05/89/60/1041058960.db2.gz IAWLYRJXCRFFHX-UHFFFAOYSA-N 1 2 331.362 3.618 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364382528 1041073166 /nfs/dbraw/zinc/07/31/66/1041073166.db2.gz LBFDFAQFBHMXDQ-INIZCTEOSA-N 1 2 347.418 3.663 20 0 EHADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccccc3C)n2)ccc1C ZINC000433215066 1041091515 /nfs/dbraw/zinc/09/15/15/1041091515.db2.gz NUNOSFAWSKHIIP-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccccc3C)n2)ccc1C ZINC000433215066 1041091532 /nfs/dbraw/zinc/09/15/32/1041091532.db2.gz NUNOSFAWSKHIIP-UHFFFAOYSA-N 1 2 337.423 3.994 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(C)c3ccccc3c2=O)c1 ZINC000055033943 1041100017 /nfs/dbraw/zinc/10/00/17/1041100017.db2.gz OFXLKMMZFLGUOM-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(C)c3ccccc3c2=O)c1 ZINC000055033943 1041100029 /nfs/dbraw/zinc/10/00/29/1041100029.db2.gz OFXLKMMZFLGUOM-HXUWFJFHSA-N 1 2 333.435 3.808 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)c1cccs1 ZINC000481587193 1041102253 /nfs/dbraw/zinc/10/22/53/1041102253.db2.gz JYXAWEJIZVCYFT-MRXNPFEDSA-N 1 2 331.481 3.708 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000660399524 1041132757 /nfs/dbraw/zinc/13/27/57/1041132757.db2.gz FHVRBKQVOJMYJE-OAQYLSRUSA-N 1 2 333.435 3.766 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cnc4ccccc4n3)CCO2)cc1 ZINC000660399524 1041132764 /nfs/dbraw/zinc/13/27/64/1041132764.db2.gz FHVRBKQVOJMYJE-OAQYLSRUSA-N 1 2 333.435 3.766 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCSC3(CCC3)CC2)n1 ZINC000411866626 1041146762 /nfs/dbraw/zinc/14/67/62/1041146762.db2.gz HUAAVJXCTOPBFT-LBPRGKRZSA-N 1 2 327.519 3.745 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCSC3(CCC3)CC2)n1 ZINC000411866626 1041146776 /nfs/dbraw/zinc/14/67/76/1041146776.db2.gz HUAAVJXCTOPBFT-LBPRGKRZSA-N 1 2 327.519 3.745 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193891493 1041162482 /nfs/dbraw/zinc/16/24/82/1041162482.db2.gz NNFJXEAWCXGTGX-LBPRGKRZSA-N 1 2 327.340 3.622 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193891493 1041162486 /nfs/dbraw/zinc/16/24/86/1041162486.db2.gz NNFJXEAWCXGTGX-LBPRGKRZSA-N 1 2 327.340 3.622 20 0 EHADLO Fc1ccccc1CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000433262343 1041172720 /nfs/dbraw/zinc/17/27/20/1041172720.db2.gz YYGCMXBCVQJKGA-GOSISDBHSA-N 1 2 336.414 3.990 20 0 EHADLO Fc1ccccc1CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000433262343 1041172727 /nfs/dbraw/zinc/17/27/27/1041172727.db2.gz YYGCMXBCVQJKGA-GOSISDBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H](CC(=O)NC(c1cccs1)c1cccs1)n1cc[nH+]c1 ZINC000571094680 1041179640 /nfs/dbraw/zinc/17/96/40/1041179640.db2.gz SXQMMHJFOZITKK-GFCCVEGCSA-N 1 2 331.466 3.863 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939027 1041214987 /nfs/dbraw/zinc/21/49/87/1041214987.db2.gz HDQMRKSQFKRRIK-OTYXRUKQSA-N 1 2 338.238 3.699 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939027 1041215004 /nfs/dbraw/zinc/21/50/04/1041215004.db2.gz HDQMRKSQFKRRIK-OTYXRUKQSA-N 1 2 338.238 3.699 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000571288220 1041255806 /nfs/dbraw/zinc/25/58/06/1041255806.db2.gz SXVRJCAJMVAZAR-JKSUJKDBSA-N 1 2 334.423 3.774 20 0 EHADLO C[C@H]1C[C@H](C)N(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555870531 1041258126 /nfs/dbraw/zinc/25/81/26/1041258126.db2.gz AYTJJOANZLAMIH-GJZGRUSLSA-N 1 2 336.439 3.864 20 0 EHADLO CO[C@H](C[NH2+][C@@](C)(c1noc(C)n1)C1CC1)c1ccc(Cl)cc1 ZINC000433321442 1041279420 /nfs/dbraw/zinc/27/94/20/1041279420.db2.gz NWOSGJSDTQZXAB-NVXWUHKLSA-N 1 2 335.835 3.634 20 0 EHADLO CC[C@@H](C[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC)CC(F)(F)F ZINC000419316423 1041283371 /nfs/dbraw/zinc/28/33/71/1041283371.db2.gz LJHLHVOIUJIPJX-UKRRQHHQSA-N 1 2 331.378 3.647 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555880742 1041289505 /nfs/dbraw/zinc/28/95/05/1041289505.db2.gz QWGNQRDLJHTUAD-AWEZNQCLSA-N 1 2 332.407 3.581 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555880742 1041289524 /nfs/dbraw/zinc/28/95/24/1041289524.db2.gz QWGNQRDLJHTUAD-AWEZNQCLSA-N 1 2 332.407 3.581 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000571428271 1041292208 /nfs/dbraw/zinc/29/22/08/1041292208.db2.gz PSVXRURCKSADDP-CRAIPNDOSA-N 1 2 325.456 3.658 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC(n4cc[nH+]c4)CC3)csc2c1 ZINC000279961981 1041318190 /nfs/dbraw/zinc/31/81/90/1041318190.db2.gz CFTMIYTYENUSMG-UHFFFAOYSA-N 1 2 325.437 3.884 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)cc1)c1cc(CO)on1 ZINC000924884289 1041383529 /nfs/dbraw/zinc/38/35/29/1041383529.db2.gz XPNICWHLXFXLCC-CQSZACIVSA-N 1 2 330.428 3.729 20 0 EHADLO Fc1c(Cl)ccc(Br)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000894147726 1041435026 /nfs/dbraw/zinc/43/50/26/1041435026.db2.gz CXEDHGONNHQELS-SECBINFHSA-N 1 2 348.643 3.710 20 0 EHADLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000511685213 1041462209 /nfs/dbraw/zinc/46/22/09/1041462209.db2.gz XJLWVSWSZCQAMM-GHMZBOCLSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000511685213 1041462214 /nfs/dbraw/zinc/46/22/14/1041462214.db2.gz XJLWVSWSZCQAMM-GHMZBOCLSA-N 1 2 342.188 3.986 20 0 EHADLO CCOc1ccccc1C1=CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000111208200 1041534229 /nfs/dbraw/zinc/53/42/29/1041534229.db2.gz ZCJPTMZIPBSZOH-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccccc1C1=CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000111208200 1041534237 /nfs/dbraw/zinc/53/42/37/1041534237.db2.gz ZCJPTMZIPBSZOH-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)[nH]1 ZINC000660495949 1041575112 /nfs/dbraw/zinc/57/51/12/1041575112.db2.gz VRPNVMYZEAFJSX-AWEZNQCLSA-N 1 2 347.894 3.602 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)[nH]1 ZINC000660495949 1041575120 /nfs/dbraw/zinc/57/51/20/1041575120.db2.gz VRPNVMYZEAFJSX-AWEZNQCLSA-N 1 2 347.894 3.602 20 0 EHADLO CC(C)(C)CCCc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545594747 1041668151 /nfs/dbraw/zinc/66/81/51/1041668151.db2.gz HLZJCHRDGYVLBF-UHFFFAOYSA-N 1 2 343.471 3.938 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)OC1CCCCC1)c1ccccc1 ZINC000866891953 1041675760 /nfs/dbraw/zinc/67/57/60/1041675760.db2.gz OLBFCOHHBVLCNY-QGZVFWFLSA-N 1 2 327.428 3.763 20 0 EHADLO CCc1oc2ccccc2c1C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024601831 1041677074 /nfs/dbraw/zinc/67/70/74/1041677074.db2.gz BOYZMARGZLUNFM-UHFFFAOYSA-N 1 2 347.418 3.864 20 0 EHADLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024601831 1041677079 /nfs/dbraw/zinc/67/70/79/1041677079.db2.gz BOYZMARGZLUNFM-UHFFFAOYSA-N 1 2 347.418 3.864 20 0 EHADLO Cc1nc2[nH]ccc2c(NCC[C@@H](c2ccccc2)C(F)(F)F)[nH+]1 ZINC000432172214 1041683359 /nfs/dbraw/zinc/68/33/59/1041683359.db2.gz LGXFLMJPVHTZNB-AWEZNQCLSA-N 1 2 334.345 3.836 20 0 EHADLO Cc1nc2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2nc1C ZINC000047533781 1041701086 /nfs/dbraw/zinc/70/10/86/1041701086.db2.gz TUFMXDCAPPPIET-UHFFFAOYSA-N 1 2 343.390 3.685 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629658 1041738612 /nfs/dbraw/zinc/73/86/12/1041738612.db2.gz FCELMCJWEGDNRP-UONOGXRCSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660629658 1041738619 /nfs/dbraw/zinc/73/86/19/1041738619.db2.gz FCELMCJWEGDNRP-UONOGXRCSA-N 1 2 345.393 3.566 20 0 EHADLO C[C@@]12C[N@H+](Cc3ncsc3Br)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000660678382 1041770697 /nfs/dbraw/zinc/77/06/97/1041770697.db2.gz ZPCCKIXTTZXNFH-ZHPDPMBESA-N 1 2 325.275 3.550 20 0 EHADLO C[C@@]12C[N@@H+](Cc3ncsc3Br)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000660678382 1041770705 /nfs/dbraw/zinc/77/07/05/1041770705.db2.gz ZPCCKIXTTZXNFH-ZHPDPMBESA-N 1 2 325.275 3.550 20 0 EHADLO C[N@H+](CC[C@H]1CCc2ccccc21)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766158 1041812966 /nfs/dbraw/zinc/81/29/66/1041812966.db2.gz KJUCQLMDMVFTOK-XLIONFOSSA-N 1 2 332.451 3.946 20 0 EHADLO C[N@@H+](CC[C@H]1CCc2ccccc21)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766158 1041812974 /nfs/dbraw/zinc/81/29/74/1041812974.db2.gz KJUCQLMDMVFTOK-XLIONFOSSA-N 1 2 332.451 3.946 20 0 EHADLO C[N@H+](C[C@@H]1CCc2ccccc2C1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766053 1041813424 /nfs/dbraw/zinc/81/34/24/1041813424.db2.gz ZWYQSKYLZZUNPF-UZLBHIALSA-N 1 2 332.451 3.631 20 0 EHADLO C[N@@H+](C[C@@H]1CCc2ccccc2C1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766053 1041813427 /nfs/dbraw/zinc/81/34/27/1041813427.db2.gz ZWYQSKYLZZUNPF-UZLBHIALSA-N 1 2 332.451 3.631 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC(F)(F)C(F)F ZINC000796648573 1041950977 /nfs/dbraw/zinc/95/09/77/1041950977.db2.gz GCOYYAXEEZYLGO-GMTAPVOTSA-N 1 2 342.377 3.510 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(c3ccco3)CC2)n1 ZINC000661161896 1041980430 /nfs/dbraw/zinc/98/04/30/1041980430.db2.gz AEARXCFHZMGYBS-UHFFFAOYSA-N 1 2 337.423 3.941 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(Cl)c1 ZINC000651789020 1042036044 /nfs/dbraw/zinc/03/60/44/1042036044.db2.gz XRHHQFDZUJCYLL-ZDUSSCGKSA-N 1 2 341.846 3.988 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cscn1 ZINC000661418067 1042110329 /nfs/dbraw/zinc/11/03/29/1042110329.db2.gz FBRSOQHJKWNNBU-VXGBXAGGSA-N 1 2 337.876 3.667 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc(OC)c1 ZINC000661477967 1042139941 /nfs/dbraw/zinc/13/99/41/1042139941.db2.gz JLJAUHGGOWZDID-INIZCTEOSA-N 1 2 344.436 3.889 20 0 EHADLO C[C@@H](O)[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1F ZINC000651892740 1042150097 /nfs/dbraw/zinc/15/00/97/1042150097.db2.gz LPXBEFLWIXOZKB-ADLMAVQZSA-N 1 2 347.821 3.578 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515176 1042161239 /nfs/dbraw/zinc/16/12/39/1042161239.db2.gz ZPVACALOAKUIGG-IQUTYRLHSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515176 1042161242 /nfs/dbraw/zinc/16/12/42/1042161242.db2.gz ZPVACALOAKUIGG-IQUTYRLHSA-N 1 2 344.405 3.978 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cn1 ZINC000661561850 1042190546 /nfs/dbraw/zinc/19/05/46/1042190546.db2.gz NFQJLASVVZNKIQ-QGZVFWFLSA-N 1 2 329.444 3.585 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cn1 ZINC000661561850 1042190549 /nfs/dbraw/zinc/19/05/49/1042190549.db2.gz NFQJLASVVZNKIQ-QGZVFWFLSA-N 1 2 329.444 3.585 20 0 EHADLO CC(C)CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000046019250 1042202116 /nfs/dbraw/zinc/20/21/16/1042202116.db2.gz IIDYEHWNSVJTLG-UHFFFAOYSA-N 1 2 340.471 3.652 20 0 EHADLO CC[C@@H](C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661584088 1042205778 /nfs/dbraw/zinc/20/57/78/1042205778.db2.gz HDJJOCHDSMPWQM-CVEARBPZSA-N 1 2 332.492 3.545 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890431 1042209739 /nfs/dbraw/zinc/20/97/39/1042209739.db2.gz DPYDANRVKSQRLV-UHFFFAOYSA-N 1 2 348.450 3.994 20 0 EHADLO C[N@@H+](Cc1c(F)ccc(Br)c1F)CC1=CCCOC1 ZINC000661656302 1042235746 /nfs/dbraw/zinc/23/57/46/1042235746.db2.gz XKJWUOKHTZYPHR-UHFFFAOYSA-N 1 2 332.188 3.506 20 0 EHADLO C[N@H+](Cc1c(F)ccc(Br)c1F)CC1=CCCOC1 ZINC000661656302 1042235752 /nfs/dbraw/zinc/23/57/52/1042235752.db2.gz XKJWUOKHTZYPHR-UHFFFAOYSA-N 1 2 332.188 3.506 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3n(n2)CCCC3)cc1F ZINC000661659585 1042238610 /nfs/dbraw/zinc/23/86/10/1042238610.db2.gz JJNKQNSOYJRQSY-SFHVURJKSA-N 1 2 329.419 3.704 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc3n(n2)CCCC3)cc1F ZINC000661659585 1042238614 /nfs/dbraw/zinc/23/86/14/1042238614.db2.gz JJNKQNSOYJRQSY-SFHVURJKSA-N 1 2 329.419 3.704 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nccc(OC)c2OC)cc1F ZINC000661661759 1042240676 /nfs/dbraw/zinc/24/06/76/1042240676.db2.gz XZVSEWATJILPIB-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nccc(OC)c2OC)cc1F ZINC000661661759 1042240681 /nfs/dbraw/zinc/24/06/81/1042240681.db2.gz XZVSEWATJILPIB-MRXNPFEDSA-N 1 2 346.402 3.584 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@](C)(c3cccc(OC)c3)C2)no1 ZINC000661711414 1042269557 /nfs/dbraw/zinc/26/95/57/1042269557.db2.gz VWIOUFFYVKMZMC-IBGZPJMESA-N 1 2 329.444 3.584 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@](C)(c3cccc(OC)c3)C2)no1 ZINC000661711414 1042269562 /nfs/dbraw/zinc/26/95/62/1042269562.db2.gz VWIOUFFYVKMZMC-IBGZPJMESA-N 1 2 329.444 3.584 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000661739959 1042296683 /nfs/dbraw/zinc/29/66/83/1042296683.db2.gz HYOQLLKKNPZPTG-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(C)cc1C)C2 ZINC000661739959 1042296685 /nfs/dbraw/zinc/29/66/85/1042296685.db2.gz HYOQLLKKNPZPTG-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO O=C(Nc1ccc(Br)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117560618 1042298039 /nfs/dbraw/zinc/29/80/39/1042298039.db2.gz MLFRKODEGWZIGC-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO CC(C)(C)OC(=O)C1([NH2+]C[C@H]2CC3(CO2)CCCCC3)CCCC1 ZINC001167783972 1042362037 /nfs/dbraw/zinc/36/20/37/1042362037.db2.gz BOCFXDQOZCDVFR-MRXNPFEDSA-N 1 2 337.504 3.970 20 0 EHADLO c1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCCO4)CC3)no2)cc1 ZINC000661870553 1042374257 /nfs/dbraw/zinc/37/42/57/1042374257.db2.gz JPODWLCWUVEZKK-QGZVFWFLSA-N 1 2 327.428 3.518 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000652330893 1042374339 /nfs/dbraw/zinc/37/43/39/1042374339.db2.gz RVITXMPUTMQLGU-CYBMUJFWSA-N 1 2 340.427 3.685 20 0 EHADLO CC[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000661867129 1042376154 /nfs/dbraw/zinc/37/61/54/1042376154.db2.gz FUQBATZVIRONCY-GOSISDBHSA-N 1 2 344.503 3.518 20 0 EHADLO Cc1c(NC2CCN(c3cccc[nH+]3)CC2)cnn1-c1ccc(C)cc1 ZINC000652331535 1042379394 /nfs/dbraw/zinc/37/93/94/1042379394.db2.gz KAHXTEAJJLYTFO-UHFFFAOYSA-N 1 2 347.466 3.965 20 0 EHADLO Fc1cc(Br)cc(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000662047984 1042480324 /nfs/dbraw/zinc/48/03/24/1042480324.db2.gz QJEIKSFRZJUCQR-UHFFFAOYSA-N 1 2 339.208 3.956 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)Cc1nc(C2CCCC2)no1 ZINC000662203181 1042589661 /nfs/dbraw/zinc/58/96/61/1042589661.db2.gz BGRFXJBQOPTMMY-UHFFFAOYSA-N 1 2 345.443 3.637 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(C2CCCC2)no1 ZINC000662203181 1042589665 /nfs/dbraw/zinc/58/96/65/1042589665.db2.gz BGRFXJBQOPTMMY-UHFFFAOYSA-N 1 2 345.443 3.637 20 0 EHADLO CCc1ccccc1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000188369763 1042599031 /nfs/dbraw/zinc/59/90/31/1042599031.db2.gz UULNTIBUFXGQJM-UHFFFAOYSA-N 1 2 349.434 3.706 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN(C2CC2)c2ccccc21 ZINC000186774654 1042706577 /nfs/dbraw/zinc/70/65/77/1042706577.db2.gz JVHRFZIBOVFZLR-UHFFFAOYSA-N 1 2 344.418 3.502 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(Cl)cc1Cl ZINC000043175265 1042726787 /nfs/dbraw/zinc/72/67/87/1042726787.db2.gz PBALXKVSORHAEO-UHFFFAOYSA-N 1 2 325.199 3.622 20 0 EHADLO COc1c(C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)c(C)nn1C ZINC000162413971 1042727256 /nfs/dbraw/zinc/72/72/56/1042727256.db2.gz KRXPMCBXTKUWNA-ZETCQYMHSA-N 1 2 334.272 3.956 20 0 EHADLO COc1ccc(F)c(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000663351542 1042741582 /nfs/dbraw/zinc/74/15/82/1042741582.db2.gz NKPNUAFOHHXEJG-SFHVURJKSA-N 1 2 337.398 3.797 20 0 EHADLO CCc1cc(N2CC[NH+](Cc3ccco3)CC2)nnc1-c1ccccc1 ZINC000663359777 1042754148 /nfs/dbraw/zinc/75/41/48/1042754148.db2.gz JGYLXWNPRGJSMU-UHFFFAOYSA-N 1 2 348.450 3.621 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c(C)s1 ZINC000663384753 1042783598 /nfs/dbraw/zinc/78/35/98/1042783598.db2.gz VPDVABUUEOMBJV-CYBMUJFWSA-N 1 2 346.500 3.679 20 0 EHADLO Cc1cc([C@@H](C)Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c(C)s1 ZINC000663384753 1042783600 /nfs/dbraw/zinc/78/36/00/1042783600.db2.gz VPDVABUUEOMBJV-CYBMUJFWSA-N 1 2 346.500 3.679 20 0 EHADLO Clc1cc(NC2CCN(c3cccc[nH+]3)CC2)nc2cccnc12 ZINC000663390464 1042803070 /nfs/dbraw/zinc/80/30/70/1042803070.db2.gz LCIFOEXYASISJP-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3n3cccn3)[nH+]cn2)C1 ZINC000432320374 1042854145 /nfs/dbraw/zinc/85/41/45/1042854145.db2.gz OFGMMLZMBMDKPG-BRWVUGGUSA-N 1 2 340.475 3.505 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCC[C@H]3n3cccn3)nc[nH+]2)C1 ZINC000432320374 1042854148 /nfs/dbraw/zinc/85/41/48/1042854148.db2.gz OFGMMLZMBMDKPG-BRWVUGGUSA-N 1 2 340.475 3.505 20 0 EHADLO CC[C@H]1c2ccccc2CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000603979311 1042863016 /nfs/dbraw/zinc/86/30/16/1042863016.db2.gz KVNYIRBXFPCSNE-SFHVURJKSA-N 1 2 338.455 3.603 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000343943401 1042900900 /nfs/dbraw/zinc/90/09/00/1042900900.db2.gz PTLVPZQHWUDHCA-LBPRGKRZSA-N 1 2 326.425 3.885 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272422 1042908545 /nfs/dbraw/zinc/90/85/45/1042908545.db2.gz CVNUSZVUSVZTQU-QRTARXTBSA-N 1 2 341.455 3.985 20 0 EHADLO Fc1cccc(F)c1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278912074 1042921381 /nfs/dbraw/zinc/92/13/81/1042921381.db2.gz QPUAPKAXFTWRFL-UHFFFAOYSA-N 1 2 331.410 3.877 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000022786879 1042961367 /nfs/dbraw/zinc/96/13/67/1042961367.db2.gz LXHGAKQUUOORBY-LLVKDONJSA-N 1 2 337.366 3.841 20 0 EHADLO Clc1cccc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278958575 1043087503 /nfs/dbraw/zinc/08/75/03/1043087503.db2.gz WOEZUBSAFHUWEU-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278960271 1043087924 /nfs/dbraw/zinc/08/79/24/1043087924.db2.gz NGBMEQIOARZOMS-UHFFFAOYSA-N 1 2 341.430 3.687 20 0 EHADLO Brc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000432409490 1043108124 /nfs/dbraw/zinc/10/81/24/1043108124.db2.gz ZITDWLRZSIWVHC-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO COc1ccc(C(C)(C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1F ZINC000637205007 1043180425 /nfs/dbraw/zinc/18/04/25/1043180425.db2.gz AQHABPLTLUXUDJ-UHFFFAOYSA-N 1 2 345.418 3.581 20 0 EHADLO Brc1scnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873161 1043252232 /nfs/dbraw/zinc/25/22/32/1043252232.db2.gz IKCXDPLLZUIWOR-YPMHNXCESA-N 1 2 345.306 3.687 20 0 EHADLO Brc1scnc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873161 1043252237 /nfs/dbraw/zinc/25/22/37/1043252237.db2.gz IKCXDPLLZUIWOR-YPMHNXCESA-N 1 2 345.306 3.687 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(SCc2cccnc2)cc1 ZINC000344124325 1043287514 /nfs/dbraw/zinc/28/75/14/1043287514.db2.gz KHKBDJZHOCPDOZ-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc32)cc1OC ZINC000344131543 1043303427 /nfs/dbraw/zinc/30/34/27/1043303427.db2.gz MWMBECSDMPGSGH-ZUZCIYMTSA-N 1 2 335.350 3.766 20 0 EHADLO Cc1c(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)oc2ccc(F)cc12 ZINC000344201105 1043415831 /nfs/dbraw/zinc/41/58/31/1043415831.db2.gz WJKYNJFGCLHNPQ-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1cccc(Cl)c1 ZINC000344207634 1043423666 /nfs/dbraw/zinc/42/36/66/1043423666.db2.gz GDVOPZVDONEOHH-HNNXBMFYSA-N 1 2 337.803 3.505 20 0 EHADLO CCOc1ccc(N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000344206449 1043438668 /nfs/dbraw/zinc/43/86/68/1043438668.db2.gz HKHCNRACXNZBES-UHFFFAOYSA-N 1 2 335.407 3.938 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000728895851 1043498338 /nfs/dbraw/zinc/49/83/38/1043498338.db2.gz CKZJFBUQNQTFAC-ZIAGYGMSSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000728895851 1043498346 /nfs/dbraw/zinc/49/83/46/1043498346.db2.gz CKZJFBUQNQTFAC-ZIAGYGMSSA-N 1 2 325.526 3.529 20 0 EHADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000279179662 1043509557 /nfs/dbraw/zinc/50/95/57/1043509557.db2.gz LWDDOAFEYOWJEC-DGAVXFQQSA-N 1 2 349.887 3.811 20 0 EHADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)c(O[C@@H](C)CC(C)C)c1 ZINC000344324611 1043665853 /nfs/dbraw/zinc/66/58/53/1043665853.db2.gz NVTNQADEZZSTKT-KRWDZBQOSA-N 1 2 343.471 3.711 20 0 EHADLO CC(C)CCn1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1C(C)C ZINC000613969171 1043694900 /nfs/dbraw/zinc/69/49/00/1043694900.db2.gz ANRQYMAVZPSHCC-HUUCEWRRSA-N 1 2 343.475 3.528 20 0 EHADLO COc1c(F)cccc1C[N@@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001143530417 1043722769 /nfs/dbraw/zinc/72/27/69/1043722769.db2.gz VHKBXUXDKMYVHM-IBGZPJMESA-N 1 2 333.378 3.721 20 0 EHADLO COc1c(F)cccc1C[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001143530417 1043722774 /nfs/dbraw/zinc/72/27/74/1043722774.db2.gz VHKBXUXDKMYVHM-IBGZPJMESA-N 1 2 333.378 3.721 20 0 EHADLO CCc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)nc1 ZINC000663714624 1043789021 /nfs/dbraw/zinc/78/90/21/1043789021.db2.gz NYAZDJLUDVNYKZ-KRWDZBQOSA-N 1 2 338.373 3.569 20 0 EHADLO CCc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)nc1 ZINC000663714624 1043789033 /nfs/dbraw/zinc/78/90/33/1043789033.db2.gz NYAZDJLUDVNYKZ-KRWDZBQOSA-N 1 2 338.373 3.569 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000344449383 1044024095 /nfs/dbraw/zinc/02/40/95/1044024095.db2.gz HCWVVCMTDQLHJT-UHFFFAOYSA-N 1 2 341.361 3.669 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C)c(Br)c1 ZINC000512209591 1044161324 /nfs/dbraw/zinc/16/13/24/1044161324.db2.gz AWIUIXUIXQGHGH-ZDUSSCGKSA-N 1 2 339.277 3.961 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)c(Br)c1 ZINC000512209591 1044161332 /nfs/dbraw/zinc/16/13/32/1044161332.db2.gz AWIUIXUIXQGHGH-ZDUSSCGKSA-N 1 2 339.277 3.961 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(Br)cc2)s1 ZINC000344632911 1044222006 /nfs/dbraw/zinc/22/20/06/1044222006.db2.gz VFFPQIFCDVTNAX-UHFFFAOYSA-N 1 2 326.263 3.714 20 0 EHADLO CN(C(=O)NCCCCn1cc[nH+]c1)C1CC(C)(C)CC(C)(C)C1 ZINC000663771228 1044257751 /nfs/dbraw/zinc/25/77/51/1044257751.db2.gz YOCHKTWESYXYQL-UHFFFAOYSA-N 1 2 334.508 3.910 20 0 EHADLO Cc1nc(NCc2ccc(Cl)cn2)c(Br)c(C)[nH+]1 ZINC000663773273 1044280510 /nfs/dbraw/zinc/28/05/10/1044280510.db2.gz DTSOYTAGAAJHAV-UHFFFAOYSA-N 1 2 327.613 3.516 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717765 1044465026 /nfs/dbraw/zinc/46/50/26/1044465026.db2.gz MAXXGMAUCPJSMI-RTBURBONSA-N 1 2 347.405 3.949 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000279717765 1044465031 /nfs/dbraw/zinc/46/50/31/1044465031.db2.gz MAXXGMAUCPJSMI-RTBURBONSA-N 1 2 347.405 3.949 20 0 EHADLO COc1cc[nH+]cc1NCC1=Cc2cc(Br)ccc2OC1 ZINC000344826624 1044493660 /nfs/dbraw/zinc/49/36/60/1044493660.db2.gz MRLXPFBDEGORQX-UHFFFAOYSA-N 1 2 347.212 3.741 20 0 EHADLO O=C(CC1(CCc2ccccc2)CCCC1)NCCn1cc[nH+]c1 ZINC000112778602 1044790089 /nfs/dbraw/zinc/79/00/89/1044790089.db2.gz ZEWKKVNAWISSKA-UHFFFAOYSA-N 1 2 325.456 3.583 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2cn(C)nc2Br)C(C)C)s1 ZINC000862233215 1137133667 /nfs/dbraw/zinc/13/36/67/1137133667.db2.gz IEOLKUILGFCXMC-UHFFFAOYSA-N 1 2 342.306 3.963 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccco1)Cc1cccs1 ZINC000620409835 1125569032 /nfs/dbraw/zinc/56/90/32/1125569032.db2.gz YOQSNXLAYBPGTK-UHFFFAOYSA-N 1 2 329.425 3.547 20 0 EHADLO CC(C)COc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1Cl ZINC000620410065 1125569056 /nfs/dbraw/zinc/56/90/56/1125569056.db2.gz OKYNGZQBAZJQGV-UHFFFAOYSA-N 1 2 335.835 3.990 20 0 EHADLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000183507839 1125579784 /nfs/dbraw/zinc/57/97/84/1125579784.db2.gz FOYWSHBJLHMVOA-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000183507839 1125579790 /nfs/dbraw/zinc/57/97/90/1125579790.db2.gz FOYWSHBJLHMVOA-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO CC(C)(C)c1csc(CN2CC[NH+](Cc3cccs3)CC2)n1 ZINC000154189698 1125701134 /nfs/dbraw/zinc/70/11/34/1125701134.db2.gz VOHSPPJFXRLMEK-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO CN(C[C@H]1CCC[N@@H+]1Cc1scnc1Cl)C(=O)OC(C)(C)C ZINC001137824908 1129183227 /nfs/dbraw/zinc/18/32/27/1129183227.db2.gz OINREXIOORQDNC-LLVKDONJSA-N 1 2 345.896 3.628 20 0 EHADLO CN(C[C@H]1CCC[N@H+]1Cc1scnc1Cl)C(=O)OC(C)(C)C ZINC001137824908 1129183228 /nfs/dbraw/zinc/18/32/28/1129183228.db2.gz OINREXIOORQDNC-LLVKDONJSA-N 1 2 345.896 3.628 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)nc1 ZINC000626569024 1126725424 /nfs/dbraw/zinc/72/54/24/1126725424.db2.gz NRUNQILQXRKFGW-UHFFFAOYSA-N 1 2 326.444 3.810 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nc(CCC(C)C)no2)C2CC2)cc1 ZINC000175518559 1126871756 /nfs/dbraw/zinc/87/17/56/1126871756.db2.gz GMLWXGMUAFEFIA-IBGZPJMESA-N 1 2 329.444 3.908 20 0 EHADLO CC(C)[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000175664805 1126874761 /nfs/dbraw/zinc/87/47/61/1126874761.db2.gz RGGJVUGALRGYNF-HXUWFJFHSA-N 1 2 333.435 3.928 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000623121841 1126880291 /nfs/dbraw/zinc/88/02/91/1126880291.db2.gz OVDRTWYECLUZEF-INIZCTEOSA-N 1 2 342.405 3.797 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000623121841 1126880295 /nfs/dbraw/zinc/88/02/95/1126880295.db2.gz OVDRTWYECLUZEF-INIZCTEOSA-N 1 2 342.405 3.797 20 0 EHADLO Cc1ccc2nc(C)c(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC000623186672 1126892971 /nfs/dbraw/zinc/89/29/71/1126892971.db2.gz SJZVPKYGTKIMKB-UHFFFAOYSA-N 1 2 334.423 3.525 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cnc2ccsc2c1 ZINC000623233655 1126900493 /nfs/dbraw/zinc/90/04/93/1126900493.db2.gz HJLNWXVRDBVFEU-KPZWWZAWSA-N 1 2 337.448 3.660 20 0 EHADLO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623237003 1126901182 /nfs/dbraw/zinc/90/11/82/1126901182.db2.gz MXYLVXBVBGWYSQ-KPZWWZAWSA-N 1 2 344.842 3.713 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(CCc1ccccc1)C1CCCC1 ZINC000623253847 1126903165 /nfs/dbraw/zinc/90/31/65/1126903165.db2.gz DILFOSPFVMWRJT-UHFFFAOYSA-N 1 2 325.456 3.677 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(Cc2cccs2)CCCCC1 ZINC000623300087 1126910594 /nfs/dbraw/zinc/91/05/94/1126910594.db2.gz JKWAPEWYUPUSSM-OAHLLOKOSA-N 1 2 343.496 3.569 20 0 EHADLO CC(C)n1ccc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)n1 ZINC000623426567 1126953229 /nfs/dbraw/zinc/95/32/29/1126953229.db2.gz QWZFKFHIONHUDA-UHFFFAOYSA-N 1 2 345.340 3.834 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000623504559 1126971937 /nfs/dbraw/zinc/97/19/37/1126971937.db2.gz UIASLXFKMBGRPL-UHFFFAOYSA-N 1 2 342.455 3.608 20 0 EHADLO Cc1cc([C@H]([NH2+][C@H]2CCN(C)C2=O)c2ccccc2Cl)ccc1F ZINC000177213598 1126978918 /nfs/dbraw/zinc/97/89/18/1126978918.db2.gz GQIOSMLYLDYTHL-ROUUACIJSA-N 1 2 346.833 3.697 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000185673951 1126980370 /nfs/dbraw/zinc/98/03/70/1126980370.db2.gz MTRJMSKMJGGPTL-GOSISDBHSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1nccnc1C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623615926 1126997048 /nfs/dbraw/zinc/99/70/48/1126997048.db2.gz BMQLXNGKLBYSOJ-MRVPVSSYSA-N 1 2 342.187 3.677 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000179738871 1127085536 /nfs/dbraw/zinc/08/55/36/1127085536.db2.gz YTZOVNWCTYUXBP-HNNXBMFYSA-N 1 2 327.384 3.969 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(C)cccc2C)c1C ZINC000180188465 1127131067 /nfs/dbraw/zinc/13/10/67/1127131067.db2.gz WVYINLZZNIMIIE-UHFFFAOYSA-N 1 2 326.440 3.525 20 0 EHADLO FC1(F)CC(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000351133715 1127144829 /nfs/dbraw/zinc/14/48/29/1127144829.db2.gz ACCKFWSTOPOYAQ-UHFFFAOYSA-N 1 2 330.338 3.569 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2cnn(C)c2C(F)(F)F)c1C ZINC000180403400 1127152504 /nfs/dbraw/zinc/15/25/04/1127152504.db2.gz YOGHRWGEBFCTEA-UHFFFAOYSA-N 1 2 345.390 3.893 20 0 EHADLO Fc1cccc(F)c1C1([NH2+]Cc2cnnn2-c2ccccc2)CCC1 ZINC000623844486 1127198953 /nfs/dbraw/zinc/19/89/53/1127198953.db2.gz YDMCYBAGINCSSU-UHFFFAOYSA-N 1 2 340.377 3.715 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)[nH+]c1C ZINC000763990362 1127214253 /nfs/dbraw/zinc/21/42/53/1127214253.db2.gz ZUIJQEAAYCIMMW-XHDPSFHLSA-N 1 2 325.412 3.637 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H](C[C@@H]3CCOC3)C1)nc1ccccc12 ZINC000624083791 1127248032 /nfs/dbraw/zinc/24/80/32/1127248032.db2.gz CSBMIOJXAHSMDZ-HOTGVXAUSA-N 1 2 336.439 3.526 20 0 EHADLO CCC1(CC)CC[NH+](Cn2nc(NCCOC)sc2=S)CC1 ZINC000186110167 1127274899 /nfs/dbraw/zinc/27/48/99/1127274899.db2.gz WOLRYKSTUISYSL-UHFFFAOYSA-N 1 2 344.550 3.592 20 0 EHADLO Cc1cccn2c(CNc3ccc(Br)c(C)n3)c[nH+]c12 ZINC000181592438 1127284716 /nfs/dbraw/zinc/28/47/16/1127284716.db2.gz IRWXKFYHUHWPLM-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO Fc1ccc(Cc2nnc(NCc3cccc4[nH+]ccn43)s2)cc1 ZINC000181813169 1127297773 /nfs/dbraw/zinc/29/77/73/1127297773.db2.gz AQMSMGDGTGXUHI-UHFFFAOYSA-N 1 2 339.399 3.528 20 0 EHADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000182289547 1127321768 /nfs/dbraw/zinc/32/17/68/1127321768.db2.gz IYXLXNGCQDAXGG-VXGBXAGGSA-N 1 2 334.441 3.820 20 0 EHADLO OCC[N@H+](Cc1ncc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000182406824 1127327913 /nfs/dbraw/zinc/32/79/13/1127327913.db2.gz GVDDRBIVPODGSM-KRWDZBQOSA-N 1 2 337.250 3.870 20 0 EHADLO OCC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000182406824 1127327914 /nfs/dbraw/zinc/32/79/14/1127327914.db2.gz GVDDRBIVPODGSM-KRWDZBQOSA-N 1 2 337.250 3.870 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182410611 1127328548 /nfs/dbraw/zinc/32/85/48/1127328548.db2.gz XOPWFSYIVUFATN-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182410611 1127328552 /nfs/dbraw/zinc/32/85/52/1127328552.db2.gz XOPWFSYIVUFATN-JTQLQIEISA-N 1 2 331.243 3.552 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000182652563 1127341719 /nfs/dbraw/zinc/34/17/19/1127341719.db2.gz ZUHBFZWNLVMUAS-ZDUSSCGKSA-N 1 2 342.443 3.992 20 0 EHADLO Cc1ccc(-c2cc(C[NH2+][C@H](C)c3nnc4ccccn43)on2)cc1 ZINC000182668668 1127342067 /nfs/dbraw/zinc/34/20/67/1127342067.db2.gz FQXSVBRMEIHTHR-CQSZACIVSA-N 1 2 333.395 3.544 20 0 EHADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1Cl ZINC000182882214 1127352633 /nfs/dbraw/zinc/35/26/33/1127352633.db2.gz PLAFUFHEWQPMFO-GFCCVEGCSA-N 1 2 335.810 3.884 20 0 EHADLO COCCOc1ccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000183148684 1127364842 /nfs/dbraw/zinc/36/48/42/1127364842.db2.gz OVEFYUPSLIXZFZ-INIZCTEOSA-N 1 2 341.455 3.880 20 0 EHADLO COc1ccc(OC)c(C[N@H+](Cc2cnn(CC(C)C)c2)C2CC2)c1 ZINC000183055504 1127361143 /nfs/dbraw/zinc/36/11/43/1127361143.db2.gz BBXXQHZAMSXQGL-UHFFFAOYSA-N 1 2 343.471 3.721 20 0 EHADLO COc1ccc(OC)c(C[N@@H+](Cc2cnn(CC(C)C)c2)C2CC2)c1 ZINC000183055504 1127361146 /nfs/dbraw/zinc/36/11/46/1127361146.db2.gz BBXXQHZAMSXQGL-UHFFFAOYSA-N 1 2 343.471 3.721 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183352308 1127373352 /nfs/dbraw/zinc/37/33/52/1127373352.db2.gz RHRXKFMFEMCVQH-IBGZPJMESA-N 1 2 336.414 3.561 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000184152431 1127396222 /nfs/dbraw/zinc/39/62/22/1127396222.db2.gz PGOOHXCADPPAOG-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1nc(C(C)(C)C)cs1 ZINC000184506638 1127407364 /nfs/dbraw/zinc/40/73/64/1127407364.db2.gz RLOMTZMDZHTTQQ-STQMWFEESA-N 1 2 349.544 3.881 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)C(C)C)s1 ZINC000184995607 1127418190 /nfs/dbraw/zinc/41/81/90/1127418190.db2.gz OEOZKWTYIOQZJH-RDJZCZTQSA-N 1 2 345.512 3.658 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1nccs1 ZINC000185051702 1127419264 /nfs/dbraw/zinc/41/92/64/1127419264.db2.gz LZFMAZIBEGXRGK-FZMZJTMJSA-N 1 2 337.876 3.715 20 0 EHADLO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185368696 1127425582 /nfs/dbraw/zinc/42/55/82/1127425582.db2.gz IUMOPAZAZSJASU-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cc(F)c(Cl)cc1Cl ZINC000193202717 1127434608 /nfs/dbraw/zinc/43/46/08/1127434608.db2.gz RINODOHLRJXADV-SECBINFHSA-N 1 2 344.217 3.676 20 0 EHADLO CO/C(=C\c1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000764416045 1127493456 /nfs/dbraw/zinc/49/34/56/1127493456.db2.gz GNEDOSZCXRKJIW-WQRHYEAKSA-N 1 2 337.354 3.637 20 0 EHADLO CCn1c(=S)n(C[N@H+](C)C2CCC(C)CC2)nc1-c1cccnc1 ZINC000764890242 1127546499 /nfs/dbraw/zinc/54/64/99/1127546499.db2.gz SPHMQVNNKVCCDQ-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C)C2CCC(C)CC2)nc1-c1cccnc1 ZINC000764890242 1127546502 /nfs/dbraw/zinc/54/65/02/1127546502.db2.gz SPHMQVNNKVCCDQ-UHFFFAOYSA-N 1 2 345.516 3.964 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000764934152 1127555062 /nfs/dbraw/zinc/55/50/62/1127555062.db2.gz ZLBCKCNJDLHRJT-CYBMUJFWSA-N 1 2 349.500 3.963 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCOCC[C@@H]1C ZINC000764993811 1127561675 /nfs/dbraw/zinc/56/16/75/1127561675.db2.gz LNKAPLXESUUIKA-ZDUSSCGKSA-N 1 2 342.277 3.849 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCOCC[C@@H]1C ZINC000764993811 1127561679 /nfs/dbraw/zinc/56/16/79/1127561679.db2.gz LNKAPLXESUUIKA-ZDUSSCGKSA-N 1 2 342.277 3.849 20 0 EHADLO CCn1c(-c2ccc(F)cc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765048964 1127567185 /nfs/dbraw/zinc/56/71/85/1127567185.db2.gz OACKVXPTAPZEOB-STQMWFEESA-N 1 2 334.464 3.785 20 0 EHADLO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1 ZINC000765417359 1127609045 /nfs/dbraw/zinc/60/90/45/1127609045.db2.gz QKFIMRCDVNJZAJ-KRWDZBQOSA-N 1 2 343.434 3.909 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccc(Cl)s1 ZINC000015481804 1127654278 /nfs/dbraw/zinc/65/42/78/1127654278.db2.gz UDNBPAOGNUWCHU-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccc(Cl)s1 ZINC000015481804 1127654280 /nfs/dbraw/zinc/65/42/80/1127654280.db2.gz UDNBPAOGNUWCHU-UHFFFAOYSA-N 1 2 336.888 3.848 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452376 1127654424 /nfs/dbraw/zinc/65/44/24/1127654424.db2.gz OYWJVLSNMHKPLH-AWEZNQCLSA-N 1 2 331.485 3.738 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452376 1127654428 /nfs/dbraw/zinc/65/44/28/1127654428.db2.gz OYWJVLSNMHKPLH-AWEZNQCLSA-N 1 2 331.485 3.738 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000015551222 1127655271 /nfs/dbraw/zinc/65/52/71/1127655271.db2.gz RDKWBUIAKHRQQZ-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000015551222 1127655275 /nfs/dbraw/zinc/65/52/75/1127655275.db2.gz RDKWBUIAKHRQQZ-ZDUSSCGKSA-N 1 2 332.831 3.808 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(C)o1 ZINC000015766740 1127657627 /nfs/dbraw/zinc/65/76/27/1127657627.db2.gz SCITUKNBHBKNSD-UHFFFAOYSA-N 1 2 340.467 3.978 20 0 EHADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc3ccccc3s2)C[C@H](C)O1 ZINC000021059115 1127680537 /nfs/dbraw/zinc/68/05/37/1127680537.db2.gz UMQOXKOUDXUDJX-KBPBESRZSA-N 1 2 346.496 3.519 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000765685463 1127725220 /nfs/dbraw/zinc/72/52/20/1127725220.db2.gz MYCCNVYUGPVHJX-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000765685463 1127725224 /nfs/dbraw/zinc/72/52/24/1127725224.db2.gz MYCCNVYUGPVHJX-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO CC(C)(C)c1coc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000921577121 1127755270 /nfs/dbraw/zinc/75/52/70/1127755270.db2.gz FEZHULBACNKXSA-IBGZPJMESA-N 1 2 342.439 3.984 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3occ4c3CCC4)n2)C1 ZINC000671665640 1127785880 /nfs/dbraw/zinc/78/58/80/1127785880.db2.gz ZRSAUKLJXRHVHX-LBPRGKRZSA-N 1 2 345.468 3.709 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3occ4c3CCC4)n2)C1 ZINC000671665640 1127785882 /nfs/dbraw/zinc/78/58/82/1127785882.db2.gz ZRSAUKLJXRHVHX-LBPRGKRZSA-N 1 2 345.468 3.709 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@@H](CO)C(C)(C)C)ccc21 ZINC001168559768 1127788630 /nfs/dbraw/zinc/78/86/30/1127788630.db2.gz PGGWXZQWIRZELO-IBGZPJMESA-N 1 2 339.439 3.853 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028682548 1127790408 /nfs/dbraw/zinc/79/04/08/1127790408.db2.gz QUULMTNXADEUKV-CYBMUJFWSA-N 1 2 345.468 3.641 20 0 EHADLO Cc1ccc(O)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028682548 1127790409 /nfs/dbraw/zinc/79/04/09/1127790409.db2.gz QUULMTNXADEUKV-CYBMUJFWSA-N 1 2 345.468 3.641 20 0 EHADLO CCc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)sc1C ZINC000029207079 1127795535 /nfs/dbraw/zinc/79/55/35/1127795535.db2.gz HSTZUYWVSYAIBR-UHFFFAOYSA-N 1 2 339.464 3.794 20 0 EHADLO O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029238368 1127797317 /nfs/dbraw/zinc/79/73/17/1127797317.db2.gz HOKQOLNYURHXMT-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO Cc1cccc([C@@H](CNc2nc3ccccc3o2)[NH+]2CCOCC2)c1 ZINC000029626759 1127803888 /nfs/dbraw/zinc/80/38/88/1127803888.db2.gz HFHCOGUPFTYJGG-GOSISDBHSA-N 1 2 337.423 3.622 20 0 EHADLO COC(=O)Cc1ccc(CNc2cc3ccc(OC)cc3c[nH+]2)cc1 ZINC001168565663 1127819873 /nfs/dbraw/zinc/81/98/73/1127819873.db2.gz WUXSLMDWYMGILK-UHFFFAOYSA-N 1 2 336.391 3.571 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccs2)n1)C[C@@H]1COc2ccccc2O1 ZINC000031183554 1127830427 /nfs/dbraw/zinc/83/04/27/1127830427.db2.gz CSFZOAREHKLUQA-CQSZACIVSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1coc(-c2cccs2)n1)C[C@@H]1COc2ccccc2O1 ZINC000031183554 1127830432 /nfs/dbraw/zinc/83/04/32/1127830432.db2.gz CSFZOAREHKLUQA-CQSZACIVSA-N 1 2 342.420 3.675 20 0 EHADLO CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000338573470 1127840762 /nfs/dbraw/zinc/84/07/62/1127840762.db2.gz ROIIDOFJSMUNDI-XFWGSAIBSA-N 1 2 337.467 3.659 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000031895825 1127842869 /nfs/dbraw/zinc/84/28/69/1127842869.db2.gz SMGDBQFISSIEJY-MRXNPFEDSA-N 1 2 338.854 3.922 20 0 EHADLO c1c(C[N@@H+]2CCOCC23CC3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000338591607 1127870226 /nfs/dbraw/zinc/87/02/26/1127870226.db2.gz ILKNJPWNFDITPT-UHFFFAOYSA-N 1 2 345.446 3.904 20 0 EHADLO c1c(C[N@H+]2CCOCC23CC3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000338591607 1127870230 /nfs/dbraw/zinc/87/02/30/1127870230.db2.gz ILKNJPWNFDITPT-UHFFFAOYSA-N 1 2 345.446 3.904 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000041220540 1127873568 /nfs/dbraw/zinc/87/35/68/1127873568.db2.gz KYTLEZOHFIESLR-FXAWDEMLSA-N 1 2 348.450 3.555 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043518114 1127921555 /nfs/dbraw/zinc/92/15/55/1127921555.db2.gz PUOPIZOGUSIHPE-OAHLLOKOSA-N 1 2 336.505 3.925 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc2c3c(cccc31)CC2 ZINC000043905436 1127929633 /nfs/dbraw/zinc/92/96/33/1127929633.db2.gz VLAXBFWCMLUPTN-UHFFFAOYSA-N 1 2 332.407 3.567 20 0 EHADLO CO[C@H]1C[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000624313123 1127927683 /nfs/dbraw/zinc/92/76/83/1127927683.db2.gz FXTKYJXAAANIOF-JIMOISOXSA-N 1 2 334.204 3.770 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438327 1127937123 /nfs/dbraw/zinc/93/71/23/1127937123.db2.gz QLBQYCDBPJMBFQ-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438327 1127937125 /nfs/dbraw/zinc/93/71/25/1127937125.db2.gz QLBQYCDBPJMBFQ-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)cc2[nH+]1 ZINC000045056733 1127944920 /nfs/dbraw/zinc/94/49/20/1127944920.db2.gz XCYXCBUFZGBOOB-UHFFFAOYSA-N 1 2 349.312 3.951 20 0 EHADLO Fc1ccccc1-c1csc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000338640435 1127963011 /nfs/dbraw/zinc/96/30/11/1127963011.db2.gz LTEIRXWKQLMJAO-UHFFFAOYSA-N 1 2 343.427 3.864 20 0 EHADLO Cc1ccccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046342050 1127976450 /nfs/dbraw/zinc/97/64/50/1127976450.db2.gz SHJJQTNOORTGAJ-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO Cc1ccccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046342050 1127976453 /nfs/dbraw/zinc/97/64/53/1127976453.db2.gz SHJJQTNOORTGAJ-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000047027372 1127998888 /nfs/dbraw/zinc/99/88/88/1127998888.db2.gz SICGLPZRSMGWNC-RDTXWAMCSA-N 1 2 344.434 3.641 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249500 1128003802 /nfs/dbraw/zinc/00/38/02/1128003802.db2.gz ZMARUKIRMUXDKH-HXUWFJFHSA-N 1 2 331.419 3.813 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000282172270 1128028522 /nfs/dbraw/zinc/02/85/22/1128028522.db2.gz JJYFRVRXHVMACY-AWEZNQCLSA-N 1 2 344.484 3.713 20 0 EHADLO Cc1cc(N)nc(SCc2csc(-c3ccc(F)cc3)n2)[nH+]1 ZINC000057648973 1128054990 /nfs/dbraw/zinc/05/49/90/1128054990.db2.gz KGYXPNKNPILWHI-UHFFFAOYSA-N 1 2 332.429 3.922 20 0 EHADLO CC[NH+]1CCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)CC1 ZINC000058300699 1128066149 /nfs/dbraw/zinc/06/61/49/1128066149.db2.gz WYMXCIOSAAEBML-UHFFFAOYSA-N 1 2 343.496 3.513 20 0 EHADLO CCCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000060442215 1128101533 /nfs/dbraw/zinc/10/15/33/1128101533.db2.gz MOXDQZIYGSWZEE-UHFFFAOYSA-N 1 2 343.471 3.891 20 0 EHADLO Clc1ccc(OCC[NH+]2CCSCC2)c(Br)c1 ZINC000061283395 1128121149 /nfs/dbraw/zinc/12/11/49/1128121149.db2.gz GLSVBKQEYIYUBK-UHFFFAOYSA-N 1 2 336.682 3.530 20 0 EHADLO Cc1c(C(=O)NCCNc2cccc[nH+]2)sc2cccc(F)c12 ZINC000063706449 1128152979 /nfs/dbraw/zinc/15/29/79/1128152979.db2.gz FIUWQUHEBRCMMG-UHFFFAOYSA-N 1 2 329.400 3.586 20 0 EHADLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740579 1128179601 /nfs/dbraw/zinc/17/96/01/1128179601.db2.gz YUBJZXVZFICBLE-SCLBCKFNSA-N 1 2 348.406 3.707 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000671750212 1128202853 /nfs/dbraw/zinc/20/28/53/1128202853.db2.gz KCLZAMPAXKLPGH-NXEZZACHSA-N 1 2 333.413 3.548 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000068421888 1128265974 /nfs/dbraw/zinc/26/59/74/1128265974.db2.gz JLORDQSQGOHFDI-HOTGVXAUSA-N 1 2 343.858 3.847 20 0 EHADLO C[C@H](CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000066714947 1128225275 /nfs/dbraw/zinc/22/52/75/1128225275.db2.gz NUMRVMFCAYMIGW-QGZVFWFLSA-N 1 2 333.435 3.807 20 0 EHADLO C[N@@H+](Cc1coc(-c2ccccc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000067126792 1128234811 /nfs/dbraw/zinc/23/48/11/1128234811.db2.gz SLVZWIYHJGJLPG-QGZVFWFLSA-N 1 2 336.391 3.613 20 0 EHADLO C[N@H+](Cc1coc(-c2ccccc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000067126792 1128234814 /nfs/dbraw/zinc/23/48/14/1128234814.db2.gz SLVZWIYHJGJLPG-QGZVFWFLSA-N 1 2 336.391 3.613 20 0 EHADLO CC(C)c1noc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401189 1128240879 /nfs/dbraw/zinc/24/08/79/1128240879.db2.gz FXNQNTONXZFMHI-QGZVFWFLSA-N 1 2 349.862 3.792 20 0 EHADLO COc1ccc([C@@H]2C[C@@H]([NH2+]C(C)(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001168602394 1128281254 /nfs/dbraw/zinc/28/12/54/1128281254.db2.gz SRMWSEAHNRQOIS-RDJZCZTQSA-N 1 2 349.471 3.625 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089902 1128282187 /nfs/dbraw/zinc/28/21/87/1128282187.db2.gz HVCBEOXSBUDFCH-CYBMUJFWSA-N 1 2 340.452 3.811 20 0 EHADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089902 1128282191 /nfs/dbraw/zinc/28/21/91/1128282191.db2.gz HVCBEOXSBUDFCH-CYBMUJFWSA-N 1 2 340.452 3.811 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000069609697 1128288352 /nfs/dbraw/zinc/28/83/52/1128288352.db2.gz MIHASBABAWAINR-UHFFFAOYSA-N 1 2 343.496 3.500 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000069609697 1128288355 /nfs/dbraw/zinc/28/83/55/1128288355.db2.gz MIHASBABAWAINR-UHFFFAOYSA-N 1 2 343.496 3.500 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073859561 1128329900 /nfs/dbraw/zinc/32/99/00/1128329900.db2.gz RNLBIUQOABWXJQ-FQEVSTJZSA-N 1 2 331.419 3.813 20 0 EHADLO C[C@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc(Cl)c(Cl)c1 ZINC001670913441 1128346262 /nfs/dbraw/zinc/34/62/62/1128346262.db2.gz GDFGEMFFEFLGME-VIFPVBQESA-N 1 2 339.226 3.531 20 0 EHADLO Cc1ccc(C(C)(C)CNc2cc(N3CCCCC3)nc[nH+]2)nc1 ZINC000624531815 1128387946 /nfs/dbraw/zinc/38/79/46/1128387946.db2.gz JGNHKPAGKAVXAF-UHFFFAOYSA-N 1 2 325.460 3.560 20 0 EHADLO Cc1ccc(C(C)(C)CNc2cc(N3CCCCC3)[nH+]cn2)nc1 ZINC000624531815 1128387950 /nfs/dbraw/zinc/38/79/50/1128387950.db2.gz JGNHKPAGKAVXAF-UHFFFAOYSA-N 1 2 325.460 3.560 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000127297044 1128400151 /nfs/dbraw/zinc/40/01/51/1128400151.db2.gz UBSLUTTVBKUWEH-DNVCBOLYSA-N 1 2 338.455 3.877 20 0 EHADLO C[C@H](CSc1ccccc1)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001670977286 1128404053 /nfs/dbraw/zinc/40/40/53/1128404053.db2.gz MHEXLNXUJHFWKF-CQSZACIVSA-N 1 2 340.452 3.979 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cn(C)nc3C3CCC3)cc2)[nH+]c1C ZINC000921655605 1128436946 /nfs/dbraw/zinc/43/69/46/1128436946.db2.gz OJEXQTOPCCCWSB-UHFFFAOYSA-N 1 2 349.438 3.947 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3(C)CCC(=O)CC3)cc2)[nH+]c1C ZINC000921656665 1128437550 /nfs/dbraw/zinc/43/75/50/1128437550.db2.gz OFCJVUBZBRLTHX-UHFFFAOYSA-N 1 2 325.412 3.781 20 0 EHADLO CCOC(=O)C(C)(C)CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921656827 1128437928 /nfs/dbraw/zinc/43/79/28/1128437928.db2.gz WBXZLNFSWAQIAK-UHFFFAOYSA-N 1 2 343.427 3.611 20 0 EHADLO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000085334760 1128450026 /nfs/dbraw/zinc/45/00/26/1128450026.db2.gz AUOBMVKHGMTHIX-ZBFHGGJFSA-N 1 2 328.462 3.620 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCC(c4nc(C)no4)CC3)cs2)o1 ZINC000054678017 1128482570 /nfs/dbraw/zinc/48/25/70/1128482570.db2.gz LERSDOFLIOOVDY-UHFFFAOYSA-N 1 2 344.440 3.783 20 0 EHADLO Cc1cn2cc(NC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)ccc2[nH+]1 ZINC000542674264 1128496568 /nfs/dbraw/zinc/49/65/68/1128496568.db2.gz PICTUGPFUBXULU-SUMWQHHRSA-N 1 2 335.411 3.653 20 0 EHADLO OCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000347637815 1128502627 /nfs/dbraw/zinc/50/26/27/1128502627.db2.gz IKYTTXVJRBVARJ-MRXNPFEDSA-N 1 2 343.814 3.603 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)s1 ZINC000347645407 1128510925 /nfs/dbraw/zinc/51/09/25/1128510925.db2.gz OKONUXUYXJNBFL-UHFFFAOYSA-N 1 2 349.475 3.695 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)s1 ZINC000347645407 1128510927 /nfs/dbraw/zinc/51/09/27/1128510927.db2.gz OKONUXUYXJNBFL-UHFFFAOYSA-N 1 2 349.475 3.695 20 0 EHADLO CC(C)(C)[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000057373669 1128633769 /nfs/dbraw/zinc/63/37/69/1128633769.db2.gz VRTMHRILXOEXMB-QGZVFWFLSA-N 1 2 346.450 3.889 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057376256 1128634344 /nfs/dbraw/zinc/63/43/44/1128634344.db2.gz KVTLPLNPVXBHGE-AWEZNQCLSA-N 1 2 334.851 3.719 20 0 EHADLO CO[C@H]1C[C@@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000624756944 1128649989 /nfs/dbraw/zinc/64/99/89/1128649989.db2.gz QYHUHRLJQRUQEW-AOOOYVTPSA-N 1 2 339.208 3.973 20 0 EHADLO Cc1ccc([C@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccccc2)o1 ZINC000303723083 1128690643 /nfs/dbraw/zinc/69/06/43/1128690643.db2.gz BKROXJMOIMNBSH-GOSISDBHSA-N 1 2 347.480 3.979 20 0 EHADLO Cc1ccc([C@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccccc2)o1 ZINC000303723083 1128690644 /nfs/dbraw/zinc/69/06/44/1128690644.db2.gz BKROXJMOIMNBSH-GOSISDBHSA-N 1 2 347.480 3.979 20 0 EHADLO Cc1ccc(N[C@H]2CCCc3cccnc32)c(C[NH+]2CCOCC2)c1 ZINC001168659878 1128721213 /nfs/dbraw/zinc/72/12/13/1128721213.db2.gz RTPTVPQYMFQFAS-FQEVSTJZSA-N 1 2 337.467 3.712 20 0 EHADLO CCCOc1cccc2c(N[C@H]3CCN(C4CCC4)C3=O)cc[nH+]c12 ZINC000624784701 1128746970 /nfs/dbraw/zinc/74/69/70/1128746970.db2.gz NDYSKTJRJVSCBT-KRWDZBQOSA-N 1 2 339.439 3.589 20 0 EHADLO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cccn4)C3)cs2)o1 ZINC000338725141 1128765248 /nfs/dbraw/zinc/76/52/48/1128765248.db2.gz QZJCMBHXIALDQX-HNNXBMFYSA-N 1 2 328.441 3.745 20 0 EHADLO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cccn4)C3)cs2)o1 ZINC000338725141 1128765252 /nfs/dbraw/zinc/76/52/52/1128765252.db2.gz QZJCMBHXIALDQX-HNNXBMFYSA-N 1 2 328.441 3.745 20 0 EHADLO O=C(COc1ccc(Cl)c(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000338725783 1128766700 /nfs/dbraw/zinc/76/67/00/1128766700.db2.gz DSEZNILENJTPJU-UHFFFAOYSA-N 1 2 345.761 3.682 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC1CCCCC1)c1ccccc1 ZINC000073428053 1128767149 /nfs/dbraw/zinc/76/71/49/1128767149.db2.gz FTEDWGDJSPTTLJ-GOSISDBHSA-N 1 2 340.471 3.583 20 0 EHADLO C[C@]1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H]2C[C@H]2C1 ZINC000624836601 1128768402 /nfs/dbraw/zinc/76/84/02/1128768402.db2.gz KYWGSIYDODJXCS-RUYXUALKSA-N 1 2 344.503 3.521 20 0 EHADLO CC[NH2+]Cc1noc(Cn2c3ccccc3nc2C2CCCCC2)n1 ZINC000843142348 1128780758 /nfs/dbraw/zinc/78/07/58/1128780758.db2.gz ZDLQRAJCCSRZAU-UHFFFAOYSA-N 1 2 339.443 3.625 20 0 EHADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338739760 1128803343 /nfs/dbraw/zinc/80/33/43/1128803343.db2.gz KCBVDFKEYJBYIG-UHFFFAOYSA-N 1 2 348.450 3.744 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2nc(Br)c[nH]2)c2ccccc2O1 ZINC000921842901 1128809651 /nfs/dbraw/zinc/80/96/51/1128809651.db2.gz OGZPCFIMXVLSLX-LLVKDONJSA-N 1 2 336.233 3.564 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000074512674 1128812378 /nfs/dbraw/zinc/81/23/78/1128812378.db2.gz RARLAYGZCFLXSD-INIZCTEOSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)nc(C2CC2)[nH+]1 ZINC000338750508 1128843658 /nfs/dbraw/zinc/84/36/58/1128843658.db2.gz VQEAXPHMKVMTGY-ZDUSSCGKSA-N 1 2 337.402 3.582 20 0 EHADLO CC(C)CN(C)c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338756817 1128876190 /nfs/dbraw/zinc/87/61/90/1128876190.db2.gz WFHYENPLVSXGTR-UHFFFAOYSA-N 1 2 340.471 3.522 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001670371727 1120044283 /nfs/dbraw/zinc/04/42/83/1120044283.db2.gz WUXIVJJZOFNFMC-QFBILLFUSA-N 1 2 326.444 3.857 20 0 EHADLO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1nc(C(F)(F)F)cs1 ZINC000072926776 1120096873 /nfs/dbraw/zinc/09/68/73/1120096873.db2.gz ZKIRHKDGBMVGIY-NSHDSACASA-N 1 2 343.374 3.502 20 0 EHADLO CCC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CCCC1 ZINC000129109455 1120141243 /nfs/dbraw/zinc/14/12/43/1120141243.db2.gz VRUQQRSXCZWWGQ-GOSISDBHSA-N 1 2 329.488 3.523 20 0 EHADLO CCC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CCCC1 ZINC000129109455 1120141248 /nfs/dbraw/zinc/14/12/48/1120141248.db2.gz VRUQQRSXCZWWGQ-GOSISDBHSA-N 1 2 329.488 3.523 20 0 EHADLO CC[C@H](C)c1nnc(N2CCCCCC2)n1Cc1c[nH+]ccc1OC ZINC001708504208 1120299844 /nfs/dbraw/zinc/29/98/44/1120299844.db2.gz ZNWXAZYVMJRBDT-HNNXBMFYSA-N 1 2 343.475 3.624 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)CC(C)C)CC2)s1 ZINC001670842218 1120328640 /nfs/dbraw/zinc/32/86/40/1120328640.db2.gz VPDLAZFLSDUDSE-HNNXBMFYSA-N 1 2 337.533 3.572 20 0 EHADLO C[C@@H](CN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)(C)C ZINC001687424088 1120336109 /nfs/dbraw/zinc/33/61/09/1120336109.db2.gz NGTYLEPBCPWBSH-WMZOPIPTSA-N 1 2 342.487 3.948 20 0 EHADLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000184858287 1120389780 /nfs/dbraw/zinc/38/97/80/1120389780.db2.gz JJOXZLXAKGZJFV-HKUYNNGSSA-N 1 2 340.471 3.532 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000185227736 1120404512 /nfs/dbraw/zinc/40/45/12/1120404512.db2.gz YLIZOTNDWXOJQN-HNNXBMFYSA-N 1 2 329.469 3.967 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000186268399 1120451837 /nfs/dbraw/zinc/45/18/37/1120451837.db2.gz NRDDNZILSAYLDM-PXNSSMCTSA-N 1 2 329.488 3.760 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000076404221 1128918551 /nfs/dbraw/zinc/91/85/51/1128918551.db2.gz QJVDXKCQKZCZPQ-UHFFFAOYSA-N 1 2 337.427 3.693 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000494234148 1120511766 /nfs/dbraw/zinc/51/17/66/1120511766.db2.gz NPPJQYPYGPHADK-VBKFSLOCSA-N 1 2 336.435 3.863 20 0 EHADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000494234148 1120511767 /nfs/dbraw/zinc/51/17/67/1120511767.db2.gz NPPJQYPYGPHADK-VBKFSLOCSA-N 1 2 336.435 3.863 20 0 EHADLO CC(C)(C)c1ccc(Cl)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000670056510 1120521223 /nfs/dbraw/zinc/52/12/23/1120521223.db2.gz ARLRPEYSAJLHMG-UHFFFAOYSA-N 1 2 332.835 3.936 20 0 EHADLO Cc1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c[nH+]1 ZINC000494333854 1120532672 /nfs/dbraw/zinc/53/26/72/1120532672.db2.gz OFMUDQBGRXKRAE-UHFFFAOYSA-N 1 2 341.411 3.720 20 0 EHADLO CN(C)c1cccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000338769928 1128923241 /nfs/dbraw/zinc/92/32/41/1128923241.db2.gz HKDGPZZRQFJNAR-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO C[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000494489781 1120570974 /nfs/dbraw/zinc/57/09/74/1120570974.db2.gz BHAKTKCHBXZVDZ-HNNXBMFYSA-N 1 2 344.418 3.897 20 0 EHADLO COc1ccc(Cn2ccc(NCc3c[nH+]c4ccc(C)cn34)n2)cc1 ZINC000189268623 1120573930 /nfs/dbraw/zinc/57/39/30/1120573930.db2.gz BFCYTCQPVZTZMK-UHFFFAOYSA-N 1 2 347.422 3.508 20 0 EHADLO O[C@@H](C[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1)CC(F)(F)F ZINC000189389804 1120581139 /nfs/dbraw/zinc/58/11/39/1120581139.db2.gz OLYVPOASRDHQNA-SNVBAGLBSA-N 1 2 328.161 3.665 20 0 EHADLO O[C@@H](C[N@H+]1CCc2c(Cl)cc(Cl)cc2C1)CC(F)(F)F ZINC000189389804 1120581142 /nfs/dbraw/zinc/58/11/42/1120581142.db2.gz OLYVPOASRDHQNA-SNVBAGLBSA-N 1 2 328.161 3.665 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)c1cn[nH]c1 ZINC000494615342 1120690731 /nfs/dbraw/zinc/69/07/31/1120690731.db2.gz BNASCGIKZPNBNZ-SNVBAGLBSA-N 1 2 347.216 3.678 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000494622753 1120701994 /nfs/dbraw/zinc/70/19/94/1120701994.db2.gz BTIIBEZRWSOEJQ-CYBMUJFWSA-N 1 2 349.843 3.583 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nnc(-c2cccs2)o1 ZINC000494635892 1120708668 /nfs/dbraw/zinc/70/86/68/1120708668.db2.gz WRDKALWDLYDGOI-WDEREUQCSA-N 1 2 335.454 3.552 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192055975 1120709279 /nfs/dbraw/zinc/70/92/79/1120709279.db2.gz NSXAHIWLHPDHAA-CRAIPNDOSA-N 1 2 349.862 3.931 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494690390 1120721908 /nfs/dbraw/zinc/72/19/08/1120721908.db2.gz KKXQGGMBKLYZGN-JSGCOSHPSA-N 1 2 333.457 3.750 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494690390 1120721912 /nfs/dbraw/zinc/72/19/12/1120721912.db2.gz KKXQGGMBKLYZGN-JSGCOSHPSA-N 1 2 333.457 3.750 20 0 EHADLO Cc1cc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)ncn1 ZINC000494744259 1120758699 /nfs/dbraw/zinc/75/86/99/1120758699.db2.gz CTFJMFGAUVMYQN-UHFFFAOYSA-N 1 2 325.362 3.942 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000193110138 1120758924 /nfs/dbraw/zinc/75/89/24/1120758924.db2.gz KHXDYHQATXKLHC-UHFFFAOYSA-N 1 2 335.473 3.825 20 0 EHADLO Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc[nH+]1 ZINC000193204439 1120764034 /nfs/dbraw/zinc/76/40/34/1120764034.db2.gz MLYRQLNLGWHRFC-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000355913689 1128939281 /nfs/dbraw/zinc/93/92/81/1128939281.db2.gz FMQHRSZOWJBWMX-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO COc1ccc2[nH+]c(C)cc(OCC(=O)N(C)C3CCCCC3)c2c1 ZINC000195581121 1120794245 /nfs/dbraw/zinc/79/42/45/1120794245.db2.gz MXTMKEHZPDJVGW-UHFFFAOYSA-N 1 2 342.439 3.722 20 0 EHADLO CSc1ccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000494788001 1120814721 /nfs/dbraw/zinc/81/47/21/1120814721.db2.gz NYXWJFSGZPRUCR-UHFFFAOYSA-N 1 2 347.509 3.781 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653907818 1120859319 /nfs/dbraw/zinc/85/93/19/1120859319.db2.gz BLKJLXAGFQVFDZ-MRXNPFEDSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653907818 1120859321 /nfs/dbraw/zinc/85/93/21/1120859321.db2.gz BLKJLXAGFQVFDZ-MRXNPFEDSA-N 1 2 330.472 3.611 20 0 EHADLO Cn1cc(Br)c(C[NH2+]Cc2ccc(C(C)(C)C)s2)n1 ZINC000393356265 1120860342 /nfs/dbraw/zinc/86/03/42/1120860342.db2.gz UNRBSITXHONLCG-UHFFFAOYSA-N 1 2 342.306 3.831 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)CCc2c[nH]c[nH+]2)cc1Cl ZINC000356150856 1128947039 /nfs/dbraw/zinc/94/70/39/1128947039.db2.gz XPCOKZFIBJSDLB-UHFFFAOYSA-N 1 2 328.199 3.687 20 0 EHADLO CCOc1c(Cl)cc(NC(=O)CCc2c[nH+]c[nH]2)cc1Cl ZINC000356150856 1128947043 /nfs/dbraw/zinc/94/70/43/1128947043.db2.gz XPCOKZFIBJSDLB-UHFFFAOYSA-N 1 2 328.199 3.687 20 0 EHADLO Fc1cccc(F)c1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000282108487 1120915375 /nfs/dbraw/zinc/91/53/75/1120915375.db2.gz DQZSKTPKZHIXHT-UHFFFAOYSA-N 1 2 332.272 3.591 20 0 EHADLO CC(C)Oc1ccc(NC(=S)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000761836515 1120978494 /nfs/dbraw/zinc/97/84/94/1120978494.db2.gz COIPNMLMNYSUAT-UHFFFAOYSA-N 1 2 340.452 3.608 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000542556225 1121153300 /nfs/dbraw/zinc/15/33/00/1121153300.db2.gz BGVCKVCDTWINAM-FUHWJXTLSA-N 1 2 344.455 3.919 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000076952515 1128967130 /nfs/dbraw/zinc/96/71/30/1128967130.db2.gz YLYLJTJKZJDWIG-OAHLLOKOSA-N 1 2 348.878 3.589 20 0 EHADLO CCc1cc(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)on1 ZINC001203226615 1121247318 /nfs/dbraw/zinc/24/73/18/1121247318.db2.gz PMSUEQPTBXKNMG-UHFFFAOYSA-N 1 2 340.254 3.866 20 0 EHADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915209082 1121253555 /nfs/dbraw/zinc/25/35/55/1121253555.db2.gz SDXACEWFGPMPES-CQSZACIVSA-N 1 2 337.537 3.673 20 0 EHADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000915209082 1121253559 /nfs/dbraw/zinc/25/35/59/1121253559.db2.gz SDXACEWFGPMPES-CQSZACIVSA-N 1 2 337.537 3.673 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(Cc3ccc(OC)cc3)oc2=S)C1 ZINC000915209936 1121254455 /nfs/dbraw/zinc/25/44/55/1121254455.db2.gz WGMLYSWVURXDOM-AWEZNQCLSA-N 1 2 347.484 3.884 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(Cc3ccc(OC)cc3)oc2=S)C1 ZINC000915209936 1121254459 /nfs/dbraw/zinc/25/44/59/1121254459.db2.gz WGMLYSWVURXDOM-AWEZNQCLSA-N 1 2 347.484 3.884 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CN1C[C@H](C2CC2)CC1=O ZINC000762485884 1121323561 /nfs/dbraw/zinc/32/35/61/1121323561.db2.gz BBCYVIJCEMBCPR-CYBMUJFWSA-N 1 2 327.255 3.641 20 0 EHADLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)CN1C[C@H](C2CC2)CC1=O ZINC000762485884 1121323564 /nfs/dbraw/zinc/32/35/64/1121323564.db2.gz BBCYVIJCEMBCPR-CYBMUJFWSA-N 1 2 327.255 3.641 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762486730 1121324386 /nfs/dbraw/zinc/32/43/86/1121324386.db2.gz GODGCNWKZZFXKM-KRWDZBQOSA-N 1 2 339.830 3.788 20 0 EHADLO Clc1ccccc1[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762486730 1121324397 /nfs/dbraw/zinc/32/43/97/1121324397.db2.gz GODGCNWKZZFXKM-KRWDZBQOSA-N 1 2 339.830 3.788 20 0 EHADLO C[N@H+](CC1CC1)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000153573702 1121349642 /nfs/dbraw/zinc/34/96/42/1121349642.db2.gz WPGLBASOFYGUOU-UHFFFAOYSA-N 1 2 344.440 3.615 20 0 EHADLO C[N@@H+](CC1CC1)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000153573702 1121349652 /nfs/dbraw/zinc/34/96/52/1121349652.db2.gz WPGLBASOFYGUOU-UHFFFAOYSA-N 1 2 344.440 3.615 20 0 EHADLO CC(=O)Oc1ccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000762630016 1121388079 /nfs/dbraw/zinc/38/80/79/1121388079.db2.gz RXEXEYOTLLALOO-UHFFFAOYSA-N 1 2 334.419 3.960 20 0 EHADLO CC(=O)Oc1ccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000762630016 1121388089 /nfs/dbraw/zinc/38/80/89/1121388089.db2.gz RXEXEYOTLLALOO-UHFFFAOYSA-N 1 2 334.419 3.960 20 0 EHADLO Cc1csc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495858431 1121548635 /nfs/dbraw/zinc/54/86/35/1121548635.db2.gz WASQSALPDLOVMN-ZDUSSCGKSA-N 1 2 331.441 3.601 20 0 EHADLO Cc1csc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000495858431 1121548638 /nfs/dbraw/zinc/54/86/38/1121548638.db2.gz WASQSALPDLOVMN-ZDUSSCGKSA-N 1 2 331.441 3.601 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1Cc1nc(C(C)(C)C)no1 ZINC000915669514 1121582888 /nfs/dbraw/zinc/58/28/88/1121582888.db2.gz KWKWFQHXPGGGSC-UHFFFAOYSA-N 1 2 327.432 3.977 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)CCC2 ZINC000921982703 1128997112 /nfs/dbraw/zinc/99/71/12/1128997112.db2.gz KBTHNGQIBGAWMV-CQSZACIVSA-N 1 2 333.867 3.885 20 0 EHADLO CCCO[C@H]1CC[N@H+](Cc2c(F)c(Br)ccc2OC)C1 ZINC001235485220 1121613333 /nfs/dbraw/zinc/61/33/33/1121613333.db2.gz YEBAHSQOXCVWEJ-NSHDSACASA-N 1 2 346.240 3.598 20 0 EHADLO CCCO[C@H]1CC[N@@H+](Cc2c(F)c(Br)ccc2OC)C1 ZINC001235485220 1121613337 /nfs/dbraw/zinc/61/33/37/1121613337.db2.gz YEBAHSQOXCVWEJ-NSHDSACASA-N 1 2 346.240 3.598 20 0 EHADLO Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000054224746 1121749732 /nfs/dbraw/zinc/74/97/32/1121749732.db2.gz GHDFRQMITQKLMS-UHFFFAOYSA-N 1 2 339.370 3.646 20 0 EHADLO COCCO[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000670271025 1121903815 /nfs/dbraw/zinc/90/38/15/1121903815.db2.gz FVRJSXWDWMNXIV-LBPRGKRZSA-N 1 2 349.805 3.569 20 0 EHADLO COCCO[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000670271025 1121903820 /nfs/dbraw/zinc/90/38/20/1121903820.db2.gz FVRJSXWDWMNXIV-LBPRGKRZSA-N 1 2 349.805 3.569 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000080722931 1121918885 /nfs/dbraw/zinc/91/88/85/1121918885.db2.gz DFVXYWIJWJOWMD-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000080722931 1121918891 /nfs/dbraw/zinc/91/88/91/1121918891.db2.gz DFVXYWIJWJOWMD-JTQLQIEISA-N 1 2 347.322 3.636 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000763294577 1121947849 /nfs/dbraw/zinc/94/78/49/1121947849.db2.gz SYUVYVBSXDDBEK-UHFFFAOYSA-N 1 2 347.827 3.907 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1nnc2ccccn21 ZINC000036969071 1121993833 /nfs/dbraw/zinc/99/38/33/1121993833.db2.gz AKJSREXFXZDZGN-NWDGAFQWSA-N 1 2 345.244 3.904 20 0 EHADLO CCc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)cn1 ZINC000496577561 1122125932 /nfs/dbraw/zinc/12/59/32/1122125932.db2.gz LJPHRVMKVBVCGU-UHFFFAOYSA-N 1 2 342.443 3.676 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000496720747 1122159847 /nfs/dbraw/zinc/15/98/47/1122159847.db2.gz XSTYWGMITJFFHA-ZDUSSCGKSA-N 1 2 341.411 3.702 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000496720747 1122159850 /nfs/dbraw/zinc/15/98/50/1122159850.db2.gz XSTYWGMITJFFHA-ZDUSSCGKSA-N 1 2 341.411 3.702 20 0 EHADLO CSc1cccc(F)c1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668237 1129040189 /nfs/dbraw/zinc/04/01/89/1129040189.db2.gz GMWZQJSVVMKNDN-UHFFFAOYSA-N 1 2 330.388 3.517 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123465276 1122235710 /nfs/dbraw/zinc/23/57/10/1122235710.db2.gz FPFYFBKDKCHHRR-JTDSTZFVSA-N 1 2 325.456 3.659 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123539349 1122256188 /nfs/dbraw/zinc/25/61/88/1122256188.db2.gz AIAPEAMVEUKRRG-HKUYNNGSSA-N 1 2 339.483 3.969 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)CCc2ccc(F)cc2)no1 ZINC000123738190 1122262082 /nfs/dbraw/zinc/26/20/82/1122262082.db2.gz RRYYNGSQVYVVQG-UHFFFAOYSA-N 1 2 325.387 3.859 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2ccc(F)cc2)no1 ZINC000123738190 1122262085 /nfs/dbraw/zinc/26/20/85/1122262085.db2.gz RRYYNGSQVYVVQG-UHFFFAOYSA-N 1 2 325.387 3.859 20 0 EHADLO CC(C)c1nnc(SCc2c[nH+]c(N(C)C)c3ccccc23)n1C ZINC000916858276 1122370079 /nfs/dbraw/zinc/37/00/79/1122370079.db2.gz OBBOVLIPVDTLTM-UHFFFAOYSA-N 1 2 341.484 3.845 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000497222011 1122381174 /nfs/dbraw/zinc/38/11/74/1122381174.db2.gz NWPHWXJFIXSKQX-ZDUSSCGKSA-N 1 2 331.416 3.550 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)[nH+]1 ZINC000497260821 1122427078 /nfs/dbraw/zinc/42/70/78/1122427078.db2.gz KQDPASCCWRPUQK-GJZGRUSLSA-N 1 2 347.459 3.591 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(N(C)c3ccccc3)CC2)n1 ZINC000065955963 1122448834 /nfs/dbraw/zinc/44/88/34/1122448834.db2.gz IIKITSLCPADDPY-UHFFFAOYSA-N 1 2 342.487 3.759 20 0 EHADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NCC1CCC1 ZINC000066473839 1122470884 /nfs/dbraw/zinc/47/08/84/1122470884.db2.gz SIBFKQBZVSFVFU-GOSISDBHSA-N 1 2 346.521 3.673 20 0 EHADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NCC1CCC1 ZINC000066473839 1122470891 /nfs/dbraw/zinc/47/08/91/1122470891.db2.gz SIBFKQBZVSFVFU-GOSISDBHSA-N 1 2 346.521 3.673 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068738 1122474819 /nfs/dbraw/zinc/47/48/19/1122474819.db2.gz ZWGOISKXFYYGAJ-PXNSSMCTSA-N 1 2 327.472 3.899 20 0 EHADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000917068738 1122474822 /nfs/dbraw/zinc/47/48/22/1122474822.db2.gz ZWGOISKXFYYGAJ-PXNSSMCTSA-N 1 2 327.472 3.899 20 0 EHADLO CC(C)Oc1cc(F)c(F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212222407 1122495500 /nfs/dbraw/zinc/49/55/00/1122495500.db2.gz OVPOWSBKOWDEFL-UHFFFAOYSA-N 1 2 349.381 3.727 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C=C(CC)CC)[C@H](C)C1 ZINC001128305724 1129061322 /nfs/dbraw/zinc/06/13/22/1129061322.db2.gz ZYDOQKNWYKDZQV-QGZVFWFLSA-N 1 2 344.499 3.864 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C=C(CC)CC)[C@H](C)C1 ZINC001128305724 1129061325 /nfs/dbraw/zinc/06/13/25/1129061325.db2.gz ZYDOQKNWYKDZQV-QGZVFWFLSA-N 1 2 344.499 3.864 20 0 EHADLO CCc1cc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1F ZINC000672773896 1129069689 /nfs/dbraw/zinc/06/96/89/1129069689.db2.gz ICBMVXPTDGWBDZ-UHFFFAOYSA-N 1 2 340.402 3.708 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000410502571 1122618073 /nfs/dbraw/zinc/61/80/73/1122618073.db2.gz ZYOHHPMMAMIVEQ-HNNXBMFYSA-N 1 2 343.496 3.613 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000410502571 1122618074 /nfs/dbraw/zinc/61/80/74/1122618074.db2.gz ZYOHHPMMAMIVEQ-HNNXBMFYSA-N 1 2 343.496 3.613 20 0 EHADLO Nc1[nH+]cccc1COC(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC000923758433 1122689248 /nfs/dbraw/zinc/68/92/48/1122689248.db2.gz JHYCIXKXUSAEQK-SFHVURJKSA-N 1 2 340.423 3.655 20 0 EHADLO Cc1cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cn2c1 ZINC000670415182 1122696994 /nfs/dbraw/zinc/69/69/94/1122696994.db2.gz PSWZWUVNXXXZDH-UHFFFAOYSA-N 1 2 348.381 3.503 20 0 EHADLO CC(C)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000497939985 1122708823 /nfs/dbraw/zinc/70/88/23/1122708823.db2.gz VNVJFSSPQBWKJY-KRWDZBQOSA-N 1 2 344.503 3.566 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(N(C)C)cc1 ZINC000917937482 1122713623 /nfs/dbraw/zinc/71/36/23/1122713623.db2.gz CETSXZZUWHUTEZ-QWHCGFSZSA-N 1 2 347.409 3.709 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000918186068 1122773467 /nfs/dbraw/zinc/77/34/67/1122773467.db2.gz RQQLZGVQQWNSCS-UHFFFAOYSA-N 1 2 338.329 3.983 20 0 EHADLO COCCC1(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CCCCC1 ZINC000556241248 1122899060 /nfs/dbraw/zinc/89/90/60/1122899060.db2.gz RDLQQDRNDJQSHY-GOSISDBHSA-N 1 2 346.450 3.610 20 0 EHADLO COCCC1(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CCCCC1 ZINC000556241248 1122899066 /nfs/dbraw/zinc/89/90/66/1122899066.db2.gz RDLQQDRNDJQSHY-GOSISDBHSA-N 1 2 346.450 3.610 20 0 EHADLO C[C@@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000498558113 1122973337 /nfs/dbraw/zinc/97/33/37/1122973337.db2.gz RITZOFRJVXLWBM-IAGOWNOFSA-N 1 2 329.488 3.905 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(Br)o1 ZINC000130713194 1122988871 /nfs/dbraw/zinc/98/88/71/1122988871.db2.gz GLTDIDBASNJGSA-UHFFFAOYSA-N 1 2 340.265 3.532 20 0 EHADLO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000130713194 1122988873 /nfs/dbraw/zinc/98/88/73/1122988873.db2.gz GLTDIDBASNJGSA-UHFFFAOYSA-N 1 2 340.265 3.532 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000556497824 1123002933 /nfs/dbraw/zinc/00/29/33/1123002933.db2.gz NPAZCTLSWKURPP-LBPRGKRZSA-N 1 2 342.283 3.644 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000556497824 1123002935 /nfs/dbraw/zinc/00/29/35/1123002935.db2.gz NPAZCTLSWKURPP-LBPRGKRZSA-N 1 2 342.283 3.644 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCc4ccccc4[C@H]3CO)o2)cc1 ZINC000130892750 1123019112 /nfs/dbraw/zinc/01/91/12/1123019112.db2.gz SBTQJMILGHSIKA-LJQANCHMSA-N 1 2 334.419 3.742 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCc4ccccc4[C@H]3CO)o2)cc1 ZINC000130892750 1123019116 /nfs/dbraw/zinc/01/91/16/1123019116.db2.gz SBTQJMILGHSIKA-LJQANCHMSA-N 1 2 334.419 3.742 20 0 EHADLO CC[C@@H](C)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498778250 1123062279 /nfs/dbraw/zinc/06/22/79/1123062279.db2.gz UXKYAYFPWZDOIO-CYBMUJFWSA-N 1 2 343.298 3.726 20 0 EHADLO CSc1cccnc1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924021295 1123066444 /nfs/dbraw/zinc/06/64/44/1123066444.db2.gz HTDGFDZUXIGDKB-LBPRGKRZSA-N 1 2 329.429 3.686 20 0 EHADLO CC(C)(C)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000131432216 1123105481 /nfs/dbraw/zinc/10/54/81/1123105481.db2.gz QFYPJPISYYDFQQ-UHFFFAOYSA-N 1 2 343.496 3.839 20 0 EHADLO C[C@H](C1CC1)n1nccc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000072615370 1123129429 /nfs/dbraw/zinc/12/94/29/1123129429.db2.gz AWFUMRKKVOWRQX-BCFOUKGLSA-N 1 2 347.422 3.692 20 0 EHADLO Cc1ccc([C@@H](C)Nc2nc(NCCO)c3ccccc3[nH+]2)s1 ZINC000919722781 1123134168 /nfs/dbraw/zinc/13/41/68/1123134168.db2.gz OIZVGBFFKADIBI-GFCCVEGCSA-N 1 2 328.441 3.577 20 0 EHADLO CN(C(=O)C[NH2+]C(C)(C)c1nccs1)[C@H]1CCCc2ccccc21 ZINC000072662555 1123138884 /nfs/dbraw/zinc/13/88/84/1123138884.db2.gz VAOJSLZIFAYZHH-INIZCTEOSA-N 1 2 343.496 3.504 20 0 EHADLO CC(C)[C@@H](NC(=O)COc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000072674340 1123140900 /nfs/dbraw/zinc/14/09/00/1123140900.db2.gz GWTVRZHXUDOLFB-OAQYLSRUSA-N 1 2 349.434 3.765 20 0 EHADLO Cc1csc(-c2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)n1 ZINC000131914805 1123189116 /nfs/dbraw/zinc/18/91/16/1123189116.db2.gz WOZPMVATXIDYKX-ZDUSSCGKSA-N 1 2 338.436 3.516 20 0 EHADLO CCC[C@@]1(C)CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000466020189 1129105042 /nfs/dbraw/zinc/10/50/42/1129105042.db2.gz RSPBSYXCVRVIKD-FQEVSTJZSA-N 1 2 340.471 3.984 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000073590151 1123211334 /nfs/dbraw/zinc/21/13/34/1123211334.db2.gz ZALTZQPLGJBOHA-SFHVURJKSA-N 1 2 344.503 3.650 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000073628888 1123213130 /nfs/dbraw/zinc/21/31/30/1123213130.db2.gz FNXOIFAWXNYJEJ-IBGZPJMESA-N 1 2 340.471 3.509 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1nc(-c2ccccc2)cs1 ZINC000132355746 1123220756 /nfs/dbraw/zinc/22/07/56/1123220756.db2.gz XWXQLFMNDMZMKY-LLVKDONJSA-N 1 2 343.477 3.821 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c1 ZINC000132544735 1123245718 /nfs/dbraw/zinc/24/57/18/1123245718.db2.gz NFEFUDGYRYYCDS-UHFFFAOYSA-N 1 2 325.387 3.598 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000920059707 1123272985 /nfs/dbraw/zinc/27/29/85/1123272985.db2.gz NZHFTUKQIRVWLN-DLBZAZTESA-N 1 2 334.508 3.815 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc[nH+]1 ZINC000074290844 1123286104 /nfs/dbraw/zinc/28/61/04/1123286104.db2.gz ARODHGIKEFHKEP-UHFFFAOYSA-N 1 2 335.363 3.595 20 0 EHADLO CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC000920252513 1123343092 /nfs/dbraw/zinc/34/30/92/1123343092.db2.gz UMHVGQFVSWMXPM-UHFFFAOYSA-N 1 2 348.406 3.904 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1C ZINC000075832261 1123428802 /nfs/dbraw/zinc/42/88/02/1123428802.db2.gz NNDDFHPWBUCWBK-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1C ZINC000075832261 1123428804 /nfs/dbraw/zinc/42/88/04/1123428804.db2.gz NNDDFHPWBUCWBK-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC2CC2)cc1 ZINC000921150512 1123473191 /nfs/dbraw/zinc/47/31/91/1123473191.db2.gz WYCYHTTWTRTJEE-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO CS[C@@H]1CCCC[N@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000134591802 1123534701 /nfs/dbraw/zinc/53/47/01/1123534701.db2.gz UKRIDRAVBQJXQS-MRXNPFEDSA-N 1 2 331.485 3.686 20 0 EHADLO CS[C@@H]1CCCC[N@@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000134591802 1123534705 /nfs/dbraw/zinc/53/47/05/1123534705.db2.gz UKRIDRAVBQJXQS-MRXNPFEDSA-N 1 2 331.485 3.686 20 0 EHADLO CCCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134684110 1123542520 /nfs/dbraw/zinc/54/25/20/1123542520.db2.gz DMRPNENMNVVQSO-DLBZAZTESA-N 1 2 339.430 3.542 20 0 EHADLO CCCCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000134684110 1123542524 /nfs/dbraw/zinc/54/25/24/1123542524.db2.gz DMRPNENMNVVQSO-DLBZAZTESA-N 1 2 339.430 3.542 20 0 EHADLO Clc1n[nH]c(C2CC2)c1CNC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000921479033 1123549208 /nfs/dbraw/zinc/54/92/08/1123549208.db2.gz ZTYJFQSOMWQAMV-OAHLLOKOSA-N 1 2 348.878 3.850 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000135040621 1123576888 /nfs/dbraw/zinc/57/68/88/1123576888.db2.gz FOTHSTSGKXOXEO-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000135654077 1123635651 /nfs/dbraw/zinc/63/56/51/1123635651.db2.gz LZITYFCCVVZTSR-NRFANRHFSA-N 1 2 338.451 3.940 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 ZINC000135654077 1123635653 /nfs/dbraw/zinc/63/56/53/1123635653.db2.gz LZITYFCCVVZTSR-NRFANRHFSA-N 1 2 338.451 3.940 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000175391685 1123671688 /nfs/dbraw/zinc/67/16/88/1123671688.db2.gz DQCQZLOPRQRMET-CVEARBPZSA-N 1 2 340.471 3.981 20 0 EHADLO CCCCCN(Cc1ccc(Cl)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000079255116 1123681297 /nfs/dbraw/zinc/68/12/97/1123681297.db2.gz KPVFXTRBPCYSFI-UHFFFAOYSA-N 1 2 348.878 3.939 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000079450464 1123696321 /nfs/dbraw/zinc/69/63/21/1123696321.db2.gz PPCUDSRFTZVFGX-LPHOPBHVSA-N 1 2 340.471 3.652 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)ccc1F ZINC000136593087 1123709211 /nfs/dbraw/zinc/70/92/11/1123709211.db2.gz KCQPURTXVLLLIU-INIZCTEOSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)ccc1F ZINC000136593087 1123709215 /nfs/dbraw/zinc/70/92/15/1123709215.db2.gz KCQPURTXVLLLIU-INIZCTEOSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)ccc1F ZINC000136593050 1123709430 /nfs/dbraw/zinc/70/94/30/1123709430.db2.gz KCQPURTXVLLLIU-MRXNPFEDSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)ccc1F ZINC000136593050 1123709433 /nfs/dbraw/zinc/70/94/33/1123709433.db2.gz KCQPURTXVLLLIU-MRXNPFEDSA-N 1 2 326.375 3.849 20 0 EHADLO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1C ZINC000610001046 1123710656 /nfs/dbraw/zinc/71/06/56/1123710656.db2.gz WJXCMGQOAVCLEY-MRXNPFEDSA-N 1 2 333.472 3.877 20 0 EHADLO Fc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000245554543 1123872046 /nfs/dbraw/zinc/87/20/46/1123872046.db2.gz ARZZJTTXYILTLR-BMGDILEWSA-N 1 2 327.403 3.771 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721190 1123936332 /nfs/dbraw/zinc/93/63/32/1123936332.db2.gz WDJVFGRGUAOYFP-IEBWSBKVSA-N 1 2 336.426 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721190 1123936335 /nfs/dbraw/zinc/93/63/35/1123936335.db2.gz WDJVFGRGUAOYFP-IEBWSBKVSA-N 1 2 336.426 3.797 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000068614168 1123990674 /nfs/dbraw/zinc/99/06/74/1123990674.db2.gz TWKQHKHVSYHEPU-HNNXBMFYSA-N 1 2 343.477 3.828 20 0 EHADLO O=c1scc(-c2ccccn2)n1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000068614168 1123990679 /nfs/dbraw/zinc/99/06/79/1123990679.db2.gz TWKQHKHVSYHEPU-HNNXBMFYSA-N 1 2 343.477 3.828 20 0 EHADLO C[N@H+](CCC1CCCCC1)Cn1c(-c2ccccn2)csc1=O ZINC000068618109 1123991321 /nfs/dbraw/zinc/99/13/21/1123991321.db2.gz ABRFZDNAVZJZLA-UHFFFAOYSA-N 1 2 331.485 3.832 20 0 EHADLO C[N@@H+](CCC1CCCCC1)Cn1c(-c2ccccn2)csc1=O ZINC000068618109 1123991327 /nfs/dbraw/zinc/99/13/27/1123991327.db2.gz ABRFZDNAVZJZLA-UHFFFAOYSA-N 1 2 331.485 3.832 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C ZINC000246028260 1124003379 /nfs/dbraw/zinc/00/33/79/1124003379.db2.gz MFRFFJKMIPFHAT-QRWLVFNGSA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C ZINC000246028260 1124003381 /nfs/dbraw/zinc/00/33/81/1124003381.db2.gz MFRFFJKMIPFHAT-QRWLVFNGSA-N 1 2 343.423 3.683 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000749954527 1124081787 /nfs/dbraw/zinc/08/17/87/1124081787.db2.gz XLNUFDKCJHDZGQ-AWEZNQCLSA-N 1 2 332.391 3.708 20 0 EHADLO O=c1scc(C(F)(F)F)n1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000749954527 1124081790 /nfs/dbraw/zinc/08/17/90/1124081790.db2.gz XLNUFDKCJHDZGQ-AWEZNQCLSA-N 1 2 332.391 3.708 20 0 EHADLO Fc1ccc(Oc2cccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)c2)cc1 ZINC000922154852 1129172439 /nfs/dbraw/zinc/17/24/39/1129172439.db2.gz QBNHLBMXXHWMPR-UHFFFAOYSA-N 1 2 338.386 3.903 20 0 EHADLO Cc1cc(NCc2ccc(Br)nc2)nc(C(C)(C)C)[nH+]1 ZINC001154694859 1131262430 /nfs/dbraw/zinc/26/24/30/1131262430.db2.gz ZJXGZTASUKQQKI-UHFFFAOYSA-N 1 2 335.249 3.852 20 0 EHADLO CC[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247597175 1124617864 /nfs/dbraw/zinc/61/78/64/1124617864.db2.gz MWGZKTQFRJMLBB-SCTDSRPQSA-N 1 2 340.471 3.669 20 0 EHADLO C[N@@H+]1CCO[C@H]([C@@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000247782675 1124626826 /nfs/dbraw/zinc/62/68/26/1124626826.db2.gz UFHKDMNTGXXKIZ-OALUTQOASA-N 1 2 348.849 3.641 20 0 EHADLO C[N@H+]1CCO[C@H]([C@@H](NCc2ccccc2F)c2ccc(Cl)cc2)C1 ZINC000247782675 1124626827 /nfs/dbraw/zinc/62/68/27/1124626827.db2.gz UFHKDMNTGXXKIZ-OALUTQOASA-N 1 2 348.849 3.641 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001236640235 1124664470 /nfs/dbraw/zinc/66/44/70/1124664470.db2.gz VSULQDWDYOQEBZ-QPUJVOFHSA-N 1 2 335.167 3.847 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001236640235 1124664473 /nfs/dbraw/zinc/66/44/73/1124664473.db2.gz VSULQDWDYOQEBZ-QPUJVOFHSA-N 1 2 335.167 3.847 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000248458923 1124665944 /nfs/dbraw/zinc/66/59/44/1124665944.db2.gz NHQMEWOQMPJJBM-ZFWWWQNUSA-N 1 2 325.474 3.632 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H](c2ccsc2)O1 ZINC000248458923 1124665946 /nfs/dbraw/zinc/66/59/46/1124665946.db2.gz NHQMEWOQMPJJBM-ZFWWWQNUSA-N 1 2 325.474 3.632 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000069393661 1124742209 /nfs/dbraw/zinc/74/22/09/1124742209.db2.gz DMXOBXFXPANFLL-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO Cn1c(C(F)F)nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000181316667 1124753644 /nfs/dbraw/zinc/75/36/44/1124753644.db2.gz VTDFNPCCKKUHSO-ZDUSSCGKSA-N 1 2 338.427 3.553 20 0 EHADLO Cn1c(C(F)F)nn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000181316667 1124753651 /nfs/dbraw/zinc/75/36/51/1124753651.db2.gz VTDFNPCCKKUHSO-ZDUSSCGKSA-N 1 2 338.427 3.553 20 0 EHADLO Cc1cc(NCc2ccc(N3CCCCC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000734835110 1131284434 /nfs/dbraw/zinc/28/44/34/1131284434.db2.gz OULKOHVSYUBETN-UHFFFAOYSA-N 1 2 336.439 3.791 20 0 EHADLO CCCCCCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734839659 1131284597 /nfs/dbraw/zinc/28/45/97/1131284597.db2.gz GKWSCLVMRRFCGE-SFHVURJKSA-N 1 2 334.529 3.781 20 0 EHADLO CCCCCCNC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734839659 1131284600 /nfs/dbraw/zinc/28/46/00/1131284600.db2.gz GKWSCLVMRRFCGE-SFHVURJKSA-N 1 2 334.529 3.781 20 0 EHADLO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000089508978 1124818250 /nfs/dbraw/zinc/81/82/50/1124818250.db2.gz DSGBHSGNKPCUAO-CYBMUJFWSA-N 1 2 330.403 3.686 20 0 EHADLO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000618089669 1124970175 /nfs/dbraw/zinc/97/01/75/1124970175.db2.gz LHLWZOFLJKSXHH-UHFFFAOYSA-N 1 2 337.427 3.693 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1c(F)cccc1Cl ZINC000181759016 1125035293 /nfs/dbraw/zinc/03/52/93/1125035293.db2.gz ZSSNZRUSSRZMPX-VIFPVBQESA-N 1 2 342.201 3.817 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000253158411 1125114953 /nfs/dbraw/zinc/11/49/53/1125114953.db2.gz FUXBUVGLLGBZLY-RUCARUNLSA-N 1 2 325.456 3.764 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1Cl ZINC000253371495 1125152358 /nfs/dbraw/zinc/15/23/58/1125152358.db2.gz BLJOYDZSDJNDDP-CYBMUJFWSA-N 1 2 336.888 3.581 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)Cc1ccccc1Cl ZINC000253371495 1125152363 /nfs/dbraw/zinc/15/23/63/1125152363.db2.gz BLJOYDZSDJNDDP-CYBMUJFWSA-N 1 2 336.888 3.581 20 0 EHADLO Cc1occc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000618882658 1125234296 /nfs/dbraw/zinc/23/42/96/1125234296.db2.gz ZCQGYKHQPUKGEU-LBPRGKRZSA-N 1 2 348.472 3.598 20 0 EHADLO Cc1occc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000618882658 1125234300 /nfs/dbraw/zinc/23/43/00/1125234300.db2.gz ZCQGYKHQPUKGEU-LBPRGKRZSA-N 1 2 348.472 3.598 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000093865514 1125319132 /nfs/dbraw/zinc/31/91/32/1125319132.db2.gz PKNYXGCPLBNNDJ-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000093865514 1125319143 /nfs/dbraw/zinc/31/91/43/1125319143.db2.gz PKNYXGCPLBNNDJ-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO C[C@@H](C[NH+]1CCOCC1)N(C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000763532165 1125325927 /nfs/dbraw/zinc/32/59/27/1125325927.db2.gz FMXJQCSCVVATDQ-VUVCFOEZSA-N 1 2 343.298 3.528 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(F)(F)CC1 ZINC000619515890 1125358902 /nfs/dbraw/zinc/35/89/02/1125358902.db2.gz OZBNEEZUTSQHDH-UHFFFAOYSA-N 1 2 348.393 3.951 20 0 EHADLO CN(c1nc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cs1)C1CC1 ZINC000649710272 1125418303 /nfs/dbraw/zinc/41/83/03/1125418303.db2.gz UVVMWRBQDOYJRV-UHFFFAOYSA-N 1 2 349.397 3.608 20 0 EHADLO CCc1noc(C[N@H+](Cc2cccc(Br)c2)C(C)C)n1 ZINC000619888714 1125419995 /nfs/dbraw/zinc/41/99/95/1125419995.db2.gz NDTHVJGEMKTFKA-UHFFFAOYSA-N 1 2 338.249 3.805 20 0 EHADLO CCc1noc(C[N@@H+](Cc2cccc(Br)c2)C(C)C)n1 ZINC000619888714 1125419998 /nfs/dbraw/zinc/41/99/98/1125419998.db2.gz NDTHVJGEMKTFKA-UHFFFAOYSA-N 1 2 338.249 3.805 20 0 EHADLO Clc1ccc(OCC[NH2+][C@@H]2CCCc3[nH]ncc32)cc1Cl ZINC000453277881 1129196589 /nfs/dbraw/zinc/19/65/89/1129196589.db2.gz CLVVDFWJFQEBNR-CQSZACIVSA-N 1 2 326.227 3.763 20 0 EHADLO OCC[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000347690932 1129202831 /nfs/dbraw/zinc/20/28/31/1129202831.db2.gz WMJAWRVANXJXTG-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466109184 1129205184 /nfs/dbraw/zinc/20/51/84/1129205184.db2.gz XXHIKZBEBPRKCH-ZWKOTPCHSA-N 1 2 347.528 3.544 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1nc2ccsc2s1 ZINC000735577738 1131359179 /nfs/dbraw/zinc/35/91/79/1131359179.db2.gz XHEUEMGYULFDQF-NSHDSACASA-N 1 2 349.485 3.791 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccccc1Oc1cccnc1 ZINC000115160607 1129239939 /nfs/dbraw/zinc/23/99/39/1129239939.db2.gz DJHXZPUTCZTKQP-UHFFFAOYSA-N 1 2 348.406 3.501 20 0 EHADLO Cc1ccnc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000683004090 1129254964 /nfs/dbraw/zinc/25/49/64/1129254964.db2.gz JFAUZOPLAZADCS-PHIMTYICSA-N 1 2 326.284 3.953 20 0 EHADLO Cc1ccnc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000683004090 1129254966 /nfs/dbraw/zinc/25/49/66/1129254966.db2.gz JFAUZOPLAZADCS-PHIMTYICSA-N 1 2 326.284 3.953 20 0 EHADLO C[C@@H](C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC000785465546 1129313389 /nfs/dbraw/zinc/31/33/89/1129313389.db2.gz IEYFIOHJXUWHTQ-NWDGAFQWSA-N 1 2 340.414 3.797 20 0 EHADLO C[C@@H](C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC000785465546 1129313393 /nfs/dbraw/zinc/31/33/93/1129313393.db2.gz IEYFIOHJXUWHTQ-NWDGAFQWSA-N 1 2 340.414 3.797 20 0 EHADLO C[C@H](C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC000785465545 1129313440 /nfs/dbraw/zinc/31/34/40/1129313440.db2.gz IEYFIOHJXUWHTQ-NEPJUHHUSA-N 1 2 340.414 3.797 20 0 EHADLO C[C@H](C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC000785465545 1129313446 /nfs/dbraw/zinc/31/34/46/1129313446.db2.gz IEYFIOHJXUWHTQ-NEPJUHHUSA-N 1 2 340.414 3.797 20 0 EHADLO CC1(C)CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000466226273 1129318162 /nfs/dbraw/zinc/31/81/62/1129318162.db2.gz MSJACBHMZNSUHL-KRWDZBQOSA-N 1 2 344.503 3.840 20 0 EHADLO CC(C)CN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000080548803 1129364289 /nfs/dbraw/zinc/36/42/89/1129364289.db2.gz WUHQOTUBHGGQLA-GOSISDBHSA-N 1 2 340.471 3.534 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000081316161 1129412878 /nfs/dbraw/zinc/41/28/78/1129412878.db2.gz ZKJUCIQVXRUUJQ-GOSISDBHSA-N 1 2 344.418 3.615 20 0 EHADLO Cc1ccc(CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000081325053 1129414103 /nfs/dbraw/zinc/41/41/03/1129414103.db2.gz KQNQKPAPRXXSGU-FQEVSTJZSA-N 1 2 347.462 3.680 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000069221730 1129433281 /nfs/dbraw/zinc/43/32/81/1129433281.db2.gz XWFLFNMTZCWAPE-GOSISDBHSA-N 1 2 349.434 3.659 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)cc1 ZINC000069221730 1129433285 /nfs/dbraw/zinc/43/32/85/1129433285.db2.gz XWFLFNMTZCWAPE-GOSISDBHSA-N 1 2 349.434 3.659 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470803 1129444608 /nfs/dbraw/zinc/44/46/08/1129444608.db2.gz BDBIJLZTKNHRCX-INIZCTEOSA-N 1 2 349.544 3.824 20 0 EHADLO Cc1nc(SCC[N@H+]2CCOC[C@@H]2C)n(C2CCCCC2)c1C ZINC000347709194 1129464775 /nfs/dbraw/zinc/46/47/75/1129464775.db2.gz ZHKDPECILSRSOU-AWEZNQCLSA-N 1 2 337.533 3.818 20 0 EHADLO Cc1nc(SCC[N@@H+]2CCOC[C@@H]2C)n(C2CCCCC2)c1C ZINC000347709194 1129464777 /nfs/dbraw/zinc/46/47/77/1129464777.db2.gz ZHKDPECILSRSOU-AWEZNQCLSA-N 1 2 337.533 3.818 20 0 EHADLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc(C)n1 ZINC000347710922 1129468284 /nfs/dbraw/zinc/46/82/84/1129468284.db2.gz XXGGOVJUTAFGGH-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000466493993 1129493059 /nfs/dbraw/zinc/49/30/59/1129493059.db2.gz YQSDTGGJGTWEQW-INIZCTEOSA-N 1 2 343.496 3.514 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000624915388 1129569958 /nfs/dbraw/zinc/56/99/58/1129569958.db2.gz VYQOJSDGEPRUHV-UHFFFAOYSA-N 1 2 335.411 3.500 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922577086 1129578804 /nfs/dbraw/zinc/57/88/04/1129578804.db2.gz KOVVFLUHDMJSEZ-LJQANCHMSA-N 1 2 333.439 3.520 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000508967309 1129597679 /nfs/dbraw/zinc/59/76/79/1129597679.db2.gz QSGCGDUZEOEGRL-ZRNYNZGJSA-N 1 2 327.424 3.903 20 0 EHADLO COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000508967309 1129597680 /nfs/dbraw/zinc/59/76/80/1129597680.db2.gz QSGCGDUZEOEGRL-ZRNYNZGJSA-N 1 2 327.424 3.903 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]n1)CC1(CCC1)O2 ZINC000922645327 1129611006 /nfs/dbraw/zinc/61/10/06/1129611006.db2.gz PUUCIMRAAXILKB-CQSZACIVSA-N 1 2 348.244 3.708 20 0 EHADLO Cn1cnc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000673605771 1129616714 /nfs/dbraw/zinc/61/67/14/1129616714.db2.gz HBPGFWILIXVKNX-SFHVURJKSA-N 1 2 326.831 3.542 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021003 1129659839 /nfs/dbraw/zinc/65/98/39/1129659839.db2.gz DUHHHPAITOLMJG-VQTJNVASSA-N 1 2 345.483 3.887 20 0 EHADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021003 1129659841 /nfs/dbraw/zinc/65/98/41/1129659841.db2.gz DUHHHPAITOLMJG-VQTJNVASSA-N 1 2 345.483 3.887 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347734100 1129666955 /nfs/dbraw/zinc/66/69/55/1129666955.db2.gz YIAHIWFZQAHMBC-CQSZACIVSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347734100 1129666961 /nfs/dbraw/zinc/66/69/61/1129666961.db2.gz YIAHIWFZQAHMBC-CQSZACIVSA-N 1 2 341.842 3.851 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000338885717 1129696000 /nfs/dbraw/zinc/69/60/00/1129696000.db2.gz BDYPWUJPKUUATI-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000338885717 1129696003 /nfs/dbraw/zinc/69/60/03/1129696003.db2.gz BDYPWUJPKUUATI-AUUYWEPGSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000347765731 1129700575 /nfs/dbraw/zinc/70/05/75/1129700575.db2.gz RMSFPXJXDGBAEP-GJYPPUQNSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1ccccc1-c1noc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000673626717 1129714355 /nfs/dbraw/zinc/71/43/55/1129714355.db2.gz JJASVVBTLUVWPC-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cn2ccccc2n1 ZINC000158982496 1129750544 /nfs/dbraw/zinc/75/05/44/1129750544.db2.gz AZNVQZTWTCOXEA-UHFFFAOYSA-N 1 2 349.438 3.723 20 0 EHADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)C(F)(F)F ZINC000625238621 1129776376 /nfs/dbraw/zinc/77/63/76/1129776376.db2.gz ZIWDFCOPSZDIJI-STQMWFEESA-N 1 2 346.368 3.619 20 0 EHADLO CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCSCC2)C(C)C)cc1 ZINC000642649644 1129783727 /nfs/dbraw/zinc/78/37/27/1129783727.db2.gz MEUKPJOGIAHOAV-IBGZPJMESA-N 1 2 334.529 3.672 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3sccc3C3CC3)[nH+]c12 ZINC000673723360 1129810885 /nfs/dbraw/zinc/81/08/85/1129810885.db2.gz BRULJGAYANZQJB-UHFFFAOYSA-N 1 2 325.437 3.554 20 0 EHADLO Cc1ccc2oc(C(=O)NCCc3cn4cccc(C)c4[nH+]3)cc2c1 ZINC000673724356 1129811802 /nfs/dbraw/zinc/81/18/02/1129811802.db2.gz KXQMJBFCFHWDCD-UHFFFAOYSA-N 1 2 333.391 3.670 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C3(c4ccccc4)CCCC3)[nH+]c12 ZINC000673725878 1129812967 /nfs/dbraw/zinc/81/29/67/1129812967.db2.gz QLKPSSSLZWPMKA-UHFFFAOYSA-N 1 2 347.462 3.813 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@H](C)c3ccccc3C)[nH+]c12 ZINC000673725679 1129813121 /nfs/dbraw/zinc/81/31/21/1129813121.db2.gz WXBKQCHAZIAQJY-KRWDZBQOSA-N 1 2 335.451 3.804 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000766021368 1129815587 /nfs/dbraw/zinc/81/55/87/1129815587.db2.gz PFYDLBUFFVELHT-INIZCTEOSA-N 1 2 345.855 3.918 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)cc1 ZINC000766021368 1129815592 /nfs/dbraw/zinc/81/55/92/1129815592.db2.gz PFYDLBUFFVELHT-INIZCTEOSA-N 1 2 345.855 3.918 20 0 EHADLO Cc1cccn2cc(CCNc3nnc(-c4ccccc4)s3)[nH+]c12 ZINC000673816727 1129859543 /nfs/dbraw/zinc/85/95/43/1129859543.db2.gz AHUBKASFPCIODV-UHFFFAOYSA-N 1 2 335.436 3.816 20 0 EHADLO C[N@@H+]1CC[C@@H](NCc2noc(C3CCC3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000625439267 1129871844 /nfs/dbraw/zinc/87/18/44/1129871844.db2.gz DZHCWLMEECFRET-NVXWUHKLSA-N 1 2 346.862 3.526 20 0 EHADLO C[N@H+]1CC[C@@H](NCc2noc(C3CCC3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000625439267 1129871847 /nfs/dbraw/zinc/87/18/47/1129871847.db2.gz DZHCWLMEECFRET-NVXWUHKLSA-N 1 2 346.862 3.526 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000625459464 1129886574 /nfs/dbraw/zinc/88/65/74/1129886574.db2.gz XCKIEZYVWKUIDS-MFKMUULPSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1C ZINC000625459464 1129886577 /nfs/dbraw/zinc/88/65/77/1129886577.db2.gz XCKIEZYVWKUIDS-MFKMUULPSA-N 1 2 348.231 3.974 20 0 EHADLO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)ccc3Cl)C2)Oc2ccccc21 ZINC000625470042 1129893538 /nfs/dbraw/zinc/89/35/38/1129893538.db2.gz HDWIMMXMJJKAGQ-IBGZPJMESA-N 1 2 343.810 3.656 20 0 EHADLO O=C1C[C@]2(CC[N@H+](Cc3cc(O)ccc3Cl)C2)Oc2ccccc21 ZINC000625470042 1129893540 /nfs/dbraw/zinc/89/35/40/1129893540.db2.gz HDWIMMXMJJKAGQ-IBGZPJMESA-N 1 2 343.810 3.656 20 0 EHADLO O=S(=O)(Nc1ccc2[nH+]ccn2c1)c1ccc(-c2ccccc2)cc1 ZINC000673930150 1129907304 /nfs/dbraw/zinc/90/73/04/1129907304.db2.gz RRZRKGRFLBWCLM-UHFFFAOYSA-N 1 2 349.415 3.802 20 0 EHADLO COc1cccc2cc([C@H](C)[NH2+]Cc3ncnn3C(C)(C)C)oc21 ZINC000282478651 1129923083 /nfs/dbraw/zinc/92/30/83/1129923083.db2.gz GXZGTIISWNEDDQ-LBPRGKRZSA-N 1 2 328.416 3.639 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282480293 1129928574 /nfs/dbraw/zinc/92/85/74/1129928574.db2.gz XMTOPEGBAPSXHD-MRXNPFEDSA-N 1 2 349.434 3.985 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673991427 1129942693 /nfs/dbraw/zinc/94/26/93/1129942693.db2.gz MOCYHQBIYNQCPI-CQSZACIVSA-N 1 2 329.787 3.784 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000674012716 1129958614 /nfs/dbraw/zinc/95/86/14/1129958614.db2.gz XZGUJTMGAOKNNE-CKFHNAJUSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000674012716 1129958617 /nfs/dbraw/zinc/95/86/17/1129958617.db2.gz XZGUJTMGAOKNNE-CKFHNAJUSA-N 1 2 344.405 3.978 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013010 1129959701 /nfs/dbraw/zinc/95/97/01/1129959701.db2.gz JFMLDELKSYDCKN-BEFAXECRSA-N 1 2 338.426 3.940 20 0 EHADLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013010 1129959703 /nfs/dbraw/zinc/95/97/03/1129959703.db2.gz JFMLDELKSYDCKN-BEFAXECRSA-N 1 2 338.426 3.940 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429215062 1129984846 /nfs/dbraw/zinc/98/48/46/1129984846.db2.gz NVAFMDGCOPOLTQ-INIZCTEOSA-N 1 2 348.406 3.812 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)(C)C)c(C)c1 ZINC000509219799 1130005839 /nfs/dbraw/zinc/00/58/39/1130005839.db2.gz NHWPIUIADBFQDE-SFHVURJKSA-N 1 2 342.487 3.929 20 0 EHADLO CCCc1nc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674371748 1130077746 /nfs/dbraw/zinc/07/77/46/1130077746.db2.gz USNCAJUJUNVXRB-KRWDZBQOSA-N 1 2 326.469 3.823 20 0 EHADLO Cc1cccn2cc(CCNC(=O)NCC(C)(C)CC(C)C)[nH+]c12 ZINC000674434981 1130090719 /nfs/dbraw/zinc/09/07/19/1130090719.db2.gz MIIUXRCJTPAFTL-UHFFFAOYSA-N 1 2 330.476 3.557 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000171999375 1130100630 /nfs/dbraw/zinc/10/06/30/1130100630.db2.gz YIIMFJXKDUHZMN-NSHDSACASA-N 1 2 338.300 3.639 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000171999375 1130100632 /nfs/dbraw/zinc/10/06/32/1130100632.db2.gz YIIMFJXKDUHZMN-NSHDSACASA-N 1 2 338.300 3.639 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000172470942 1130137843 /nfs/dbraw/zinc/13/78/43/1130137843.db2.gz JRTXTYSPFKFVAY-KRWDZBQOSA-N 1 2 333.435 3.884 20 0 EHADLO CC(C)[C@H](C(=O)Nc1cccc(C(F)F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245198026 1130178301 /nfs/dbraw/zinc/17/83/01/1130178301.db2.gz UERKXOFIUZFHJW-XJKCOSOUSA-N 1 2 340.414 3.697 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)[C@H](c2ccccc2)CO1 ZINC000766080764 1130216794 /nfs/dbraw/zinc/21/67/94/1130216794.db2.gz IXRPAFJUISMVIS-GUYCJALGSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)[C@H](c2ccccc2)CO1 ZINC000766080764 1130216798 /nfs/dbraw/zinc/21/67/98/1130216798.db2.gz IXRPAFJUISMVIS-GUYCJALGSA-N 1 2 325.437 3.653 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000674913518 1130223561 /nfs/dbraw/zinc/22/35/61/1130223561.db2.gz BPMHKVJNKLGTHS-SFTDATJTSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000674913518 1130223564 /nfs/dbraw/zinc/22/35/64/1130223564.db2.gz BPMHKVJNKLGTHS-SFTDATJTSA-N 1 2 339.435 3.859 20 0 EHADLO CCOC(=O)Cc1cccc(Nc2[nH+]cccc2N2CCCC2)c1 ZINC001212525040 1130223807 /nfs/dbraw/zinc/22/38/07/1130223807.db2.gz OFDDYYGDHAQWGW-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000675023463 1130241892 /nfs/dbraw/zinc/24/18/92/1130241892.db2.gz ITNJEBHNGPDSHU-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675023783 1130242346 /nfs/dbraw/zinc/24/23/46/1130242346.db2.gz MZINVTGOSTXYRP-ZDUSSCGKSA-N 1 2 345.406 3.773 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC(C)(C)c3ccc(Cl)cc3)ccn12 ZINC001128954261 1130279491 /nfs/dbraw/zinc/27/94/91/1130279491.db2.gz HHHNHDTVARBCLQ-UHFFFAOYSA-N 1 2 327.815 3.961 20 0 EHADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675225479 1130289249 /nfs/dbraw/zinc/28/92/49/1130289249.db2.gz XMOJLAWWZYCBCM-RYRKJORJSA-N 1 2 325.456 3.646 20 0 EHADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(Br)s1 ZINC000675453459 1130387935 /nfs/dbraw/zinc/38/79/35/1130387935.db2.gz SAEHLAZMLBURCH-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)s1 ZINC000246751855 1130409684 /nfs/dbraw/zinc/40/96/84/1130409684.db2.gz NICKXBBLPYYQSP-VHDGCEQUSA-N 1 2 337.533 3.702 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)s1 ZINC000246751855 1130409687 /nfs/dbraw/zinc/40/96/87/1130409687.db2.gz NICKXBBLPYYQSP-VHDGCEQUSA-N 1 2 337.533 3.702 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)no1 ZINC000675493079 1130413378 /nfs/dbraw/zinc/41/33/78/1130413378.db2.gz QCAUEGJLFIPGIQ-MRXNPFEDSA-N 1 2 349.438 3.523 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)no1 ZINC000675493079 1130413380 /nfs/dbraw/zinc/41/33/80/1130413380.db2.gz QCAUEGJLFIPGIQ-MRXNPFEDSA-N 1 2 349.438 3.523 20 0 EHADLO CC(C)n1ncc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc21 ZINC000675569408 1130427066 /nfs/dbraw/zinc/42/70/66/1130427066.db2.gz QMSDLIUZKONGDV-UHFFFAOYSA-N 1 2 348.410 3.587 20 0 EHADLO COc1ccc(-c2nc(C[NH2+]Cc3ccc(F)cn3)cs2)cc1 ZINC000675646060 1130438530 /nfs/dbraw/zinc/43/85/30/1130438530.db2.gz UTPLRGQARIGUCM-UHFFFAOYSA-N 1 2 329.400 3.643 20 0 EHADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000675930273 1130509032 /nfs/dbraw/zinc/50/90/32/1130509032.db2.gz QNKRHXCKJLNBDX-WMZOPIPTSA-N 1 2 348.450 3.590 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1C ZINC000675976997 1130514713 /nfs/dbraw/zinc/51/47/13/1130514713.db2.gz TUXCYYVYCOFEJO-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO CCCc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000676200443 1130547009 /nfs/dbraw/zinc/54/70/09/1130547009.db2.gz SMCBMVLACZBXIE-UHFFFAOYSA-N 1 2 339.483 3.855 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000676305466 1130560133 /nfs/dbraw/zinc/56/01/33/1130560133.db2.gz LGSVPQZLWADMSU-YJBOKZPZSA-N 1 2 338.455 3.652 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535277447 1130589491 /nfs/dbraw/zinc/58/94/91/1130589491.db2.gz ZCSVKCZAMUIWLU-OAHLLOKOSA-N 1 2 343.496 3.666 20 0 EHADLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535277447 1130589493 /nfs/dbraw/zinc/58/94/93/1130589493.db2.gz ZCSVKCZAMUIWLU-OAHLLOKOSA-N 1 2 343.496 3.666 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2ccc(F)cc2)C1 ZINC000728045375 1130620851 /nfs/dbraw/zinc/62/08/51/1130620851.db2.gz RAJOLUUCRKSAFG-AWEZNQCLSA-N 1 2 348.487 3.696 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2ccc(F)cc2)C1 ZINC000728045375 1130620854 /nfs/dbraw/zinc/62/08/54/1130620854.db2.gz RAJOLUUCRKSAFG-AWEZNQCLSA-N 1 2 348.487 3.696 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000728174894 1130647792 /nfs/dbraw/zinc/64/77/92/1130647792.db2.gz YTTPIFDWMGSIIP-CQSZACIVSA-N 1 2 346.254 3.600 20 0 EHADLO Clc1ccc(Cl)c(OCC[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000728174894 1130647795 /nfs/dbraw/zinc/64/77/95/1130647795.db2.gz YTTPIFDWMGSIIP-CQSZACIVSA-N 1 2 346.254 3.600 20 0 EHADLO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC(=O)C[C@@H]3C)c12 ZINC001166934689 1130677534 /nfs/dbraw/zinc/67/75/34/1130677534.db2.gz CEJLJBSMNURYQB-AWEZNQCLSA-N 1 2 348.450 3.654 20 0 EHADLO CN(CC[N@H+](C)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000730804380 1130739325 /nfs/dbraw/zinc/73/93/25/1130739325.db2.gz QLPYVPBFOQOPER-UHFFFAOYSA-N 1 2 345.446 3.826 20 0 EHADLO CN(CC[N@@H+](C)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000730804380 1130739329 /nfs/dbraw/zinc/73/93/29/1130739329.db2.gz QLPYVPBFOQOPER-UHFFFAOYSA-N 1 2 345.446 3.826 20 0 EHADLO CCn1cnc2c1ncnc2Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000731918885 1130861233 /nfs/dbraw/zinc/86/12/33/1130861233.db2.gz ZGFMKAQHQLQFGE-UHFFFAOYSA-N 1 2 336.443 3.826 20 0 EHADLO CC(C)c1ocnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000731981582 1130872309 /nfs/dbraw/zinc/87/23/09/1130872309.db2.gz IFEONLRUAGUUDQ-UHFFFAOYSA-N 1 2 330.775 3.889 20 0 EHADLO CCC/C(C)=C/C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732138891 1130889764 /nfs/dbraw/zinc/88/97/64/1130889764.db2.gz RIZDJYYXKROOQZ-GOFCXVBSSA-N 1 2 336.426 3.792 20 0 EHADLO CCC/C(C)=C/C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732138891 1130889770 /nfs/dbraw/zinc/88/97/70/1130889770.db2.gz RIZDJYYXKROOQZ-GOFCXVBSSA-N 1 2 336.426 3.792 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(=S)n1-c1ccccc1 ZINC000732182577 1130894912 /nfs/dbraw/zinc/89/49/12/1130894912.db2.gz UNMIBRVJJLCUKH-OAHLLOKOSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](c3ccco3)C2)c(=S)n1-c1ccccc1 ZINC000732182577 1130894915 /nfs/dbraw/zinc/89/49/15/1130894915.db2.gz UNMIBRVJJLCUKH-OAHLLOKOSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1cccn2cc(C[N@@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)nc12 ZINC000732211305 1130896747 /nfs/dbraw/zinc/89/67/47/1130896747.db2.gz VLHCRTDLHGKWHR-FUHIMQAGSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1cccn2cc(C[N@H+]3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)nc12 ZINC000732211305 1130896754 /nfs/dbraw/zinc/89/67/54/1130896754.db2.gz VLHCRTDLHGKWHR-FUHIMQAGSA-N 1 2 335.451 3.993 20 0 EHADLO C/C(=C\C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000732275677 1130905034 /nfs/dbraw/zinc/90/50/34/1130905034.db2.gz HHEJUTVYMWHHBJ-RVDMUPIBSA-N 1 2 335.382 3.731 20 0 EHADLO C[N@H+](C[C@H]1CC1(Cl)Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410972 1130925492 /nfs/dbraw/zinc/92/54/92/1130925492.db2.gz OZPALZUASVMFGB-ZWNOBZJWSA-N 1 2 347.673 3.571 20 0 EHADLO C[N@@H+](C[C@H]1CC1(Cl)Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732410972 1130925495 /nfs/dbraw/zinc/92/54/95/1130925495.db2.gz OZPALZUASVMFGB-ZWNOBZJWSA-N 1 2 347.673 3.571 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cn2c1 ZINC000732412014 1130925524 /nfs/dbraw/zinc/92/55/24/1130925524.db2.gz AVCKPJPOKZXVGO-WWMYMODYSA-N 1 2 335.451 3.993 20 0 EHADLO Cc1ccc2nc(C[N@H+]3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cn2c1 ZINC000732412014 1130925529 /nfs/dbraw/zinc/92/55/29/1130925529.db2.gz AVCKPJPOKZXVGO-WWMYMODYSA-N 1 2 335.451 3.993 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(C)o1 ZINC000732988174 1130979194 /nfs/dbraw/zinc/97/91/94/1130979194.db2.gz FDCBBEBIUIDWPY-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(C)o1 ZINC000732988174 1130979197 /nfs/dbraw/zinc/97/91/97/1130979197.db2.gz FDCBBEBIUIDWPY-MRXNPFEDSA-N 1 2 335.350 3.990 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000733301039 1131019115 /nfs/dbraw/zinc/01/91/15/1131019115.db2.gz WFHGWSAZNULUCS-LJQANCHMSA-N 1 2 338.480 3.876 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000733301039 1131019120 /nfs/dbraw/zinc/01/91/20/1131019120.db2.gz WFHGWSAZNULUCS-LJQANCHMSA-N 1 2 338.480 3.876 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c1C ZINC000734009267 1131183343 /nfs/dbraw/zinc/18/33/43/1131183343.db2.gz NGBHYTRKLSLWCH-CZUORRHYSA-N 1 2 333.476 3.723 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[nH]1 ZINC000736589455 1131427188 /nfs/dbraw/zinc/42/71/88/1131427188.db2.gz HUBAVTZLNCZNLP-AWEZNQCLSA-N 1 2 348.491 3.899 20 0 EHADLO CC(C)(C)c1nc(=S)n(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[nH]1 ZINC000736589455 1131427192 /nfs/dbraw/zinc/42/71/92/1131427192.db2.gz HUBAVTZLNCZNLP-AWEZNQCLSA-N 1 2 348.491 3.899 20 0 EHADLO Cc1nc(Cc2nn(C[N@H+]3CCCCC[C@@H]3C)c(=S)o2)cs1 ZINC000738225236 1131464258 /nfs/dbraw/zinc/46/42/58/1131464258.db2.gz RZSDDFWREVHYOL-NSHDSACASA-N 1 2 338.502 3.783 20 0 EHADLO Cc1nc(Cc2nn(C[N@@H+]3CCCCC[C@@H]3C)c(=S)o2)cs1 ZINC000738225236 1131464260 /nfs/dbraw/zinc/46/42/60/1131464260.db2.gz RZSDDFWREVHYOL-NSHDSACASA-N 1 2 338.502 3.783 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000738460268 1131471929 /nfs/dbraw/zinc/47/19/29/1131471929.db2.gz JBSOFAKKQJXHTP-QGZVFWFLSA-N 1 2 348.450 3.784 20 0 EHADLO CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738950040 1131490881 /nfs/dbraw/zinc/49/08/81/1131490881.db2.gz QESGPGGPSCSNIC-SFHVURJKSA-N 1 2 349.438 3.769 20 0 EHADLO COC[C@@H]1CC[N@H+](Cn2nc(CCC3CCCCC3)oc2=S)C1 ZINC000739865350 1131511789 /nfs/dbraw/zinc/51/17/89/1131511789.db2.gz BBDPVMGXTARPCW-OAHLLOKOSA-N 1 2 339.505 3.644 20 0 EHADLO COC[C@@H]1CC[N@@H+](Cn2nc(CCC3CCCCC3)oc2=S)C1 ZINC000739865350 1131511792 /nfs/dbraw/zinc/51/17/92/1131511792.db2.gz BBDPVMGXTARPCW-OAHLLOKOSA-N 1 2 339.505 3.644 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](CC)CN1C(=O)CC2(CCCCC2)C1=O ZINC000739887646 1131512832 /nfs/dbraw/zinc/51/28/32/1131512832.db2.gz ILRGZGPWULDMIL-QGZVFWFLSA-N 1 2 343.471 3.522 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](CC)CN1C(=O)CC2(CCCCC2)C1=O ZINC000739887646 1131512835 /nfs/dbraw/zinc/51/28/35/1131512835.db2.gz ILRGZGPWULDMIL-QGZVFWFLSA-N 1 2 343.471 3.522 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830635 1131513851 /nfs/dbraw/zinc/51/38/51/1131513851.db2.gz IAFNGEDYLHTEFG-HOCLYGCPSA-N 1 2 342.464 3.688 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739830635 1131513855 /nfs/dbraw/zinc/51/38/55/1131513855.db2.gz IAFNGEDYLHTEFG-HOCLYGCPSA-N 1 2 342.464 3.688 20 0 EHADLO CSc1ccc(COC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000740986951 1131563528 /nfs/dbraw/zinc/56/35/28/1131563528.db2.gz IFUQUOMHYAGOKC-OAHLLOKOSA-N 1 2 341.476 3.899 20 0 EHADLO CSc1ccc(COC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000740986951 1131563531 /nfs/dbraw/zinc/56/35/31/1131563531.db2.gz IFUQUOMHYAGOKC-OAHLLOKOSA-N 1 2 341.476 3.899 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000741028842 1131571186 /nfs/dbraw/zinc/57/11/86/1131571186.db2.gz JLEILVPHQOZPHZ-KGLIPLIRSA-N 1 2 337.847 3.719 20 0 EHADLO C[C@@H](OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356390 1131598893 /nfs/dbraw/zinc/59/88/93/1131598893.db2.gz QNUBJUJDKOKQHP-YLJYHZDGSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@@H](OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000741356390 1131598895 /nfs/dbraw/zinc/59/88/95/1131598895.db2.gz QNUBJUJDKOKQHP-YLJYHZDGSA-N 1 2 339.435 3.582 20 0 EHADLO C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000742056450 1131684466 /nfs/dbraw/zinc/68/44/66/1131684466.db2.gz UXGHHXSORNNMMR-CJNGLKHVSA-N 1 2 333.863 3.871 20 0 EHADLO CC1(C)[C@@H]2C[N@@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C[C@@H]21 ZINC000742166869 1131691960 /nfs/dbraw/zinc/69/19/60/1131691960.db2.gz RUPMJWASCPWPCS-WNJITKBNSA-N 1 2 326.469 3.656 20 0 EHADLO CC1(C)[C@@H]2C[N@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C[C@@H]21 ZINC000742166869 1131691962 /nfs/dbraw/zinc/69/19/62/1131691962.db2.gz RUPMJWASCPWPCS-WNJITKBNSA-N 1 2 326.469 3.656 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000742239108 1131699339 /nfs/dbraw/zinc/69/93/39/1131699339.db2.gz OIXTZLATCODWLI-UHFFFAOYSA-N 1 2 346.421 3.570 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000742239108 1131699340 /nfs/dbraw/zinc/69/93/40/1131699340.db2.gz OIXTZLATCODWLI-UHFFFAOYSA-N 1 2 346.421 3.570 20 0 EHADLO CCCCCC[C@](C)(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000742479795 1131735695 /nfs/dbraw/zinc/73/56/95/1131735695.db2.gz FXYFXLSHGIHNEI-IBGZPJMESA-N 1 2 326.525 3.600 20 0 EHADLO CCCCC[C@@H](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000742489073 1131736054 /nfs/dbraw/zinc/73/60/54/1131736054.db2.gz UWYCULGBUVRBLK-GOSISDBHSA-N 1 2 346.515 3.742 20 0 EHADLO CC(C)COCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172485862 1131740100 /nfs/dbraw/zinc/74/01/00/1131740100.db2.gz ZNHBXFRVKCAXBM-RDTXWAMCSA-N 1 2 327.415 3.789 20 0 EHADLO CC(C)COCC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172485862 1131740103 /nfs/dbraw/zinc/74/01/03/1131740103.db2.gz ZNHBXFRVKCAXBM-RDTXWAMCSA-N 1 2 327.415 3.789 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnc4cc(Cl)ccc4c3)cc2)C1 ZINC001212666230 1131763903 /nfs/dbraw/zinc/76/39/03/1131763903.db2.gz DOSFHGKNPIOBSH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO COC(=O)C1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001172549929 1131767023 /nfs/dbraw/zinc/76/70/23/1131767023.db2.gz ZVOWUTVEVMKCKQ-XLIONFOSSA-N 1 2 335.447 3.623 20 0 EHADLO CCOC(=O)C(C)(C)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567856 1131775562 /nfs/dbraw/zinc/77/55/62/1131775562.db2.gz NECBGCFFNZHUNE-SNVBAGLBSA-N 1 2 333.806 3.871 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001172571476 1131778125 /nfs/dbraw/zinc/77/81/25/1131778125.db2.gz OFVKMSLDTHYHEI-ZWNOBZJWSA-N 1 2 333.781 3.942 20 0 EHADLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001172571476 1131778131 /nfs/dbraw/zinc/77/81/31/1131778131.db2.gz OFVKMSLDTHYHEI-ZWNOBZJWSA-N 1 2 333.781 3.942 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000742858523 1131807042 /nfs/dbraw/zinc/80/70/42/1131807042.db2.gz MYLZTTXLAOJAEV-IBSYWUHOSA-N 1 2 337.448 3.595 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172718457 1131818401 /nfs/dbraw/zinc/81/84/01/1131818401.db2.gz LGAWPOBWKDQBHT-ZDUSSCGKSA-N 1 2 341.764 3.538 20 0 EHADLO FC(F)(F)c1cn2c(n1)C[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172718457 1131818408 /nfs/dbraw/zinc/81/84/08/1131818408.db2.gz LGAWPOBWKDQBHT-ZDUSSCGKSA-N 1 2 341.764 3.538 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720200 1131819843 /nfs/dbraw/zinc/81/98/43/1131819843.db2.gz WUZSNKPMRXIIMC-MRXNPFEDSA-N 1 2 348.874 3.502 20 0 EHADLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720200 1131819853 /nfs/dbraw/zinc/81/98/53/1131819853.db2.gz WUZSNKPMRXIIMC-MRXNPFEDSA-N 1 2 348.874 3.502 20 0 EHADLO Cc1nc([C@@H]2COCC[N@@H+]2[C@@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834100 1131857189 /nfs/dbraw/zinc/85/71/89/1131857189.db2.gz RXAKWBAXQGUQLR-MJGOQNOKSA-N 1 2 328.481 3.691 20 0 EHADLO Cc1nc([C@@H]2COCC[N@H+]2[C@@H]2CCc3ccc(C)cc3C2)cs1 ZINC001172834100 1131857194 /nfs/dbraw/zinc/85/71/94/1131857194.db2.gz RXAKWBAXQGUQLR-MJGOQNOKSA-N 1 2 328.481 3.691 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)C1CCCC1 ZINC001172861202 1131879436 /nfs/dbraw/zinc/87/94/36/1131879436.db2.gz QGODSUJOUIHKOY-ZBEGNZNMSA-N 1 2 327.827 3.732 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001172870305 1131889031 /nfs/dbraw/zinc/88/90/31/1131889031.db2.gz WJFUOMIAIREXIR-LBPRGKRZSA-N 1 2 346.824 3.825 20 0 EHADLO CCCCC[C@@H](C)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000743328601 1131896333 /nfs/dbraw/zinc/89/63/33/1131896333.db2.gz NKRKIJVRVNHIGP-QGZVFWFLSA-N 1 2 332.488 3.643 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)cc1C ZINC000743361461 1131903069 /nfs/dbraw/zinc/90/30/69/1131903069.db2.gz MVSRKYRKHWOKJW-OXQOHEQNSA-N 1 2 338.451 3.613 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)cc1C ZINC000743361461 1131903076 /nfs/dbraw/zinc/90/30/76/1131903076.db2.gz MVSRKYRKHWOKJW-OXQOHEQNSA-N 1 2 338.451 3.613 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)C1=O ZINC000743374203 1131904890 /nfs/dbraw/zinc/90/48/90/1131904890.db2.gz PAVXXFQUGVNXMJ-LIVBEALHSA-N 1 2 346.446 3.587 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)C1=O ZINC000743374203 1131904894 /nfs/dbraw/zinc/90/48/94/1131904894.db2.gz PAVXXFQUGVNXMJ-LIVBEALHSA-N 1 2 346.446 3.587 20 0 EHADLO COc1cccc(-n2nccc2Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695044 1131924250 /nfs/dbraw/zinc/92/42/50/1131924250.db2.gz KNZKTUCQIFMPLB-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO FC(F)(F)Oc1ccnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695350 1131927324 /nfs/dbraw/zinc/92/73/24/1131927324.db2.gz BDFMBRWNJIZROQ-UHFFFAOYSA-N 1 2 334.301 3.969 20 0 EHADLO Fc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC1COC1 ZINC001212697568 1131937143 /nfs/dbraw/zinc/93/71/43/1131937143.db2.gz GEULZBYTRPCAKD-UHFFFAOYSA-N 1 2 339.370 3.592 20 0 EHADLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@H](c2ccccc2)O1 ZINC000744146610 1132032558 /nfs/dbraw/zinc/03/25/58/1132032558.db2.gz HIVPPYWDOPKJEL-DYESRHJHSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H](c2ccccc2)O1 ZINC000744146610 1132032567 /nfs/dbraw/zinc/03/25/67/1132032567.db2.gz HIVPPYWDOPKJEL-DYESRHJHSA-N 1 2 333.435 3.970 20 0 EHADLO CCC[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001173477152 1132075737 /nfs/dbraw/zinc/07/57/37/1132075737.db2.gz JLESWOGQVQNMIR-INIZCTEOSA-N 1 2 325.399 3.532 20 0 EHADLO Cc1nc2sn(C[N@@H+](CCC(C)C)C3CC3)c(=O)c2c(C)c1C ZINC000744430610 1132095734 /nfs/dbraw/zinc/09/57/34/1132095734.db2.gz DTEAOQFMWCNIPW-UHFFFAOYSA-N 1 2 333.501 3.851 20 0 EHADLO Cc1nc2sn(C[N@H+](CCC(C)C)C3CC3)c(=O)c2c(C)c1C ZINC000744430610 1132095742 /nfs/dbraw/zinc/09/57/42/1132095742.db2.gz DTEAOQFMWCNIPW-UHFFFAOYSA-N 1 2 333.501 3.851 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000744433313 1132097591 /nfs/dbraw/zinc/09/75/91/1132097591.db2.gz ACFKJFIHRVXXDP-FUHWJXTLSA-N 1 2 332.513 3.629 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000744433313 1132097599 /nfs/dbraw/zinc/09/75/99/1132097599.db2.gz ACFKJFIHRVXXDP-FUHWJXTLSA-N 1 2 332.513 3.629 20 0 EHADLO Cc1cc(F)ccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001173966346 1132186005 /nfs/dbraw/zinc/18/60/05/1132186005.db2.gz DRJLIOSLZGEWLY-CHWSQXEVSA-N 1 2 330.407 3.590 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(COC)c3)c2c1 ZINC001174094723 1132225620 /nfs/dbraw/zinc/22/56/20/1132225620.db2.gz TZGASQBXHHLQMM-UHFFFAOYSA-N 1 2 336.391 3.723 20 0 EHADLO Cc1ccc(F)c(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001174110361 1132230914 /nfs/dbraw/zinc/23/09/14/1132230914.db2.gz AFACNMFYMYQSGX-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO COC(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cnc1OC ZINC001174382171 1132345217 /nfs/dbraw/zinc/34/52/17/1132345217.db2.gz CAMSBBQSBGXRJP-UHFFFAOYSA-N 1 2 340.383 3.551 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3nc(Cl)nc4c3ncn4C)ccc21 ZINC001174382485 1132345231 /nfs/dbraw/zinc/34/52/31/1132345231.db2.gz RWEIQTDSWSMIAF-UHFFFAOYSA-N 1 2 341.806 3.691 20 0 EHADLO CC(C)c1cccnc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432583 1132353822 /nfs/dbraw/zinc/35/38/22/1132353822.db2.gz TXCDCCQSSCVVOB-UHFFFAOYSA-N 1 2 341.455 3.660 20 0 EHADLO CNC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1Cl ZINC001174523388 1132399845 /nfs/dbraw/zinc/39/98/45/1132399845.db2.gz KSLGYKRVOSFWNS-UHFFFAOYSA-N 1 2 344.846 3.829 20 0 EHADLO COc1cc(OC)c(OC)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523771 1132400419 /nfs/dbraw/zinc/40/04/19/1132400419.db2.gz QOZJFRCTCICVIS-UHFFFAOYSA-N 1 2 343.427 3.841 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1C ZINC001174522891 1132400468 /nfs/dbraw/zinc/40/04/68/1132400468.db2.gz YRSYXQYXAGDOFR-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO c1cc(C2OCCO2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524244 1132401540 /nfs/dbraw/zinc/40/15/40/1132401540.db2.gz JUQIHVMANCRAOG-UHFFFAOYSA-N 1 2 325.412 3.861 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000188494463 1132436375 /nfs/dbraw/zinc/43/63/75/1132436375.db2.gz DNCVIRHZLJNWLK-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000188494463 1132436382 /nfs/dbraw/zinc/43/63/82/1132436382.db2.gz DNCVIRHZLJNWLK-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CCO[C@@H](C)n1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001174690965 1132437988 /nfs/dbraw/zinc/43/79/88/1132437988.db2.gz LOKZQGPZFRTXFO-LBPRGKRZSA-N 1 2 347.419 3.924 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(SCc2cccnc2)cc1 ZINC000188928925 1132439528 /nfs/dbraw/zinc/43/95/28/1132439528.db2.gz SLIJBFLYLSGAAD-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(SCc2cccnc2)cc1 ZINC000188928925 1132439533 /nfs/dbraw/zinc/43/95/33/1132439533.db2.gz SLIJBFLYLSGAAD-UHFFFAOYSA-N 1 2 338.436 3.668 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000189165579 1132442865 /nfs/dbraw/zinc/44/28/65/1132442865.db2.gz OAGWMZBYQITVPO-FQEVSTJZSA-N 1 2 333.435 3.833 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000189165579 1132442872 /nfs/dbraw/zinc/44/28/72/1132442872.db2.gz OAGWMZBYQITVPO-FQEVSTJZSA-N 1 2 333.435 3.833 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000193078551 1132478241 /nfs/dbraw/zinc/47/82/41/1132478241.db2.gz NJCGKKUGHAUPQB-UHFFFAOYSA-N 1 2 349.438 3.824 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000193078551 1132478245 /nfs/dbraw/zinc/47/82/45/1132478245.db2.gz NJCGKKUGHAUPQB-UHFFFAOYSA-N 1 2 349.438 3.824 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000193663551 1132483341 /nfs/dbraw/zinc/48/33/41/1132483341.db2.gz YLBRHRICQZNNGH-LJQANCHMSA-N 1 2 325.456 3.746 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000193663551 1132483344 /nfs/dbraw/zinc/48/33/44/1132483344.db2.gz YLBRHRICQZNNGH-LJQANCHMSA-N 1 2 325.456 3.746 20 0 EHADLO COc1ccc(Nc2ccccc2-n2cc[nH+]c2)c(OC)c1OC ZINC001174899459 1132498361 /nfs/dbraw/zinc/49/83/61/1132498361.db2.gz UEEZBSPYTSCFSB-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO Cc1cccc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000053813013 1132501334 /nfs/dbraw/zinc/50/13/34/1132501334.db2.gz USJOZHYCJWLTNC-QGZVFWFLSA-N 1 2 348.450 3.928 20 0 EHADLO Cc1nc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc2s1 ZINC001174973812 1132509800 /nfs/dbraw/zinc/50/98/00/1132509800.db2.gz DPUYJVUQMAENSM-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)cc1 ZINC000766382104 1132523738 /nfs/dbraw/zinc/52/37/38/1132523738.db2.gz PMKYTLSMCPZPDJ-STQMWFEESA-N 1 2 332.473 3.552 20 0 EHADLO COc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@H](C)[C@@H](C)C3)[nH]2)cc1 ZINC000766382104 1132523747 /nfs/dbraw/zinc/52/37/47/1132523747.db2.gz PMKYTLSMCPZPDJ-STQMWFEESA-N 1 2 332.473 3.552 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2csc(N(C)C)n2)cnn1-c1ccccc1 ZINC000766401275 1132530441 /nfs/dbraw/zinc/53/04/41/1132530441.db2.gz KUSRGFDQSBZZPJ-ZDUSSCGKSA-N 1 2 341.484 3.554 20 0 EHADLO C[C@@H]1C[C@H]1c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766400360 1132530503 /nfs/dbraw/zinc/53/05/03/1132530503.db2.gz DBXLVJVSYQRKIC-DGCLKSJQSA-N 1 2 325.416 3.910 20 0 EHADLO COc1cc(Nc2cc(Br)c3[nH+]ccn3c2)cc(OC)c1 ZINC001175106933 1132554852 /nfs/dbraw/zinc/55/48/52/1132554852.db2.gz ZVOQFBNFQNZHMZ-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CCOc1cc(C)c(N(CCCOC)c2[nH+]cccc2N)c(C)c1 ZINC001175172212 1132588421 /nfs/dbraw/zinc/58/84/21/1132588421.db2.gz ZSFJHXYUFKOSFY-UHFFFAOYSA-N 1 2 329.444 3.854 20 0 EHADLO Cc1cc2c(CC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)csc2s1 ZINC000866981909 1132595578 /nfs/dbraw/zinc/59/55/78/1132595578.db2.gz NYFLWLHPHXFVJH-GFCCVEGCSA-N 1 2 345.493 3.563 20 0 EHADLO CSc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001175287283 1132613309 /nfs/dbraw/zinc/61/33/09/1132613309.db2.gz KYPVWILQPRAVIR-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO CN(C)c1ccc(Nc2ccc3c(cnn3[C@@H]3CCCCO3)c2)c[nH+]1 ZINC001175343022 1132627267 /nfs/dbraw/zinc/62/72/67/1132627267.db2.gz CXQFNZXFQAAHDZ-IBGZPJMESA-N 1 2 337.427 3.940 20 0 EHADLO CCCSc1nc(Cl)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169000120 1132628835 /nfs/dbraw/zinc/62/88/35/1132628835.db2.gz CHWXXUYAMIIRDM-UHFFFAOYSA-N 1 2 347.875 3.934 20 0 EHADLO Clc1ncnc2c(NCCc3cn4ccccc4[nH+]3)csc21 ZINC001169003329 1132628975 /nfs/dbraw/zinc/62/89/75/1132628975.db2.gz YELAWSCWNWURAT-UHFFFAOYSA-N 1 2 329.816 3.647 20 0 EHADLO CCSCc1cnc(Cl)nc1NCCc1cn2ccccc2[nH+]1 ZINC001169001838 1132629027 /nfs/dbraw/zinc/62/90/27/1132629027.db2.gz AKDJMNKZJWZJAU-UHFFFAOYSA-N 1 2 347.875 3.685 20 0 EHADLO COCCOc1cc(NCCOc2cccc3ccccc32)cc[nH+]1 ZINC001169014484 1132632403 /nfs/dbraw/zinc/63/24/03/1132632403.db2.gz HJOQRSSBJKENAH-UHFFFAOYSA-N 1 2 338.407 3.751 20 0 EHADLO CN(C)c1ccc(Nc2ccnc(Cl)c2Br)c[nH+]1 ZINC001175338883 1132643260 /nfs/dbraw/zinc/64/32/60/1132643260.db2.gz PSPQPLRVJGBLQK-UHFFFAOYSA-N 1 2 327.613 3.702 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)ccc1C ZINC001169218419 1132698742 /nfs/dbraw/zinc/69/87/42/1132698742.db2.gz RKEWJYFWLLKGKJ-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)ccc1C ZINC001169218419 1132698746 /nfs/dbraw/zinc/69/87/46/1132698746.db2.gz RKEWJYFWLLKGKJ-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO CC(=O)OCc1cccc(C)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001212770056 1132710578 /nfs/dbraw/zinc/71/05/78/1132710578.db2.gz LRVDWNYJGVQKDL-UHFFFAOYSA-N 1 2 325.412 3.797 20 0 EHADLO O=C(C[NH2+][C@H](CF)c1ccc(F)cc1)NC1(c2ccccc2)CCC1 ZINC001175559783 1132711030 /nfs/dbraw/zinc/71/10/30/1132711030.db2.gz HPOBFRJKPMYRCH-GOSISDBHSA-N 1 2 344.405 3.622 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)NCCCN(C)c2cccc[nH+]2)CC(C)(C)C1 ZINC001175706418 1132753178 /nfs/dbraw/zinc/75/31/78/1132753178.db2.gz CXKHZFKKOPZJPL-IAGOWNOFSA-N 1 2 331.504 3.877 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnc3cc(C4CCC4)nn3c2)c[nH+]1 ZINC001175710466 1132755433 /nfs/dbraw/zinc/75/54/33/1132755433.db2.gz CCIAPBYWCHYNRT-UHFFFAOYSA-N 1 2 348.332 3.736 20 0 EHADLO CC(C)c1cnn2cc(Nc3c[nH+]c(N)cc3C(F)(F)F)cnc12 ZINC001175710480 1132755794 /nfs/dbraw/zinc/75/57/94/1132755794.db2.gz DBQFPNNCVQAQIX-UHFFFAOYSA-N 1 2 336.321 3.592 20 0 EHADLO Cc1cc(NCCNC(=O)Nc2ccccc2)[nH+]cc1C(F)(F)F ZINC001169427458 1132761146 /nfs/dbraw/zinc/76/11/46/1132761146.db2.gz KZMJOVZXJPBZCU-UHFFFAOYSA-N 1 2 338.333 3.642 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000867001615 1132793654 /nfs/dbraw/zinc/79/36/54/1132793654.db2.gz SNAZIDBMYOWTKF-BSWAZPDLSA-N 1 2 333.435 3.832 20 0 EHADLO COc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1C1CC1 ZINC000766767046 1132799502 /nfs/dbraw/zinc/79/95/02/1132799502.db2.gz TZBPLAHVOPUYNM-UHFFFAOYSA-N 1 2 349.434 3.501 20 0 EHADLO OCC[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000766797032 1132830363 /nfs/dbraw/zinc/83/03/63/1132830363.db2.gz PLKFXZBXEPMZBL-MRXNPFEDSA-N 1 2 337.250 3.870 20 0 EHADLO OCC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000766797032 1132830370 /nfs/dbraw/zinc/83/03/70/1132830370.db2.gz PLKFXZBXEPMZBL-MRXNPFEDSA-N 1 2 337.250 3.870 20 0 EHADLO CCOC(=O)c1c2ccc(N)cc2n(-c2[nH]cc[nH+]2)c1-c1ccccc1 ZINC001176084826 1132830831 /nfs/dbraw/zinc/83/08/31/1132830831.db2.gz RAPGSBXRUVXEMP-UHFFFAOYSA-N 1 2 346.390 3.780 20 0 EHADLO Cc1ccc(Nc2ccccc2C[NH+]2CCN(C)CC2)c(F)c1F ZINC001176094330 1132834018 /nfs/dbraw/zinc/83/40/18/1132834018.db2.gz NQGIWJSEWONZRM-UHFFFAOYSA-N 1 2 331.410 3.764 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C2(C)COC2)c(Br)c1 ZINC001176124488 1132852843 /nfs/dbraw/zinc/85/28/43/1132852843.db2.gz PBEBQJDFWCKBGU-UHFFFAOYSA-N 1 2 349.228 3.884 20 0 EHADLO COCCOc1cc(Nc2c[nH+]ccc2OC)cc(C(F)(F)F)c1 ZINC001176124567 1132853791 /nfs/dbraw/zinc/85/37/91/1132853791.db2.gz RBYMQPXSAVOEFM-UHFFFAOYSA-N 1 2 342.317 3.878 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(NC(C)=O)c(C(F)(F)F)c1 ZINC001176121134 1132853991 /nfs/dbraw/zinc/85/39/91/1132853991.db2.gz PETWFHDZQWJXMI-UHFFFAOYSA-N 1 2 325.290 3.811 20 0 EHADLO C(=CNc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC001176218368 1132878337 /nfs/dbraw/zinc/87/83/37/1132878337.db2.gz ZEOPVWUDQIKDGR-UUILKARUSA-N 1 2 338.451 3.566 20 0 EHADLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc3c(c2)CC(=O)N3)cc[nH+]1 ZINC001176424855 1132936170 /nfs/dbraw/zinc/93/61/70/1132936170.db2.gz HGFCJGFHFXBWHY-UHFFFAOYSA-N 1 2 340.383 3.667 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCc4c(F)cc(F)cc4C3)cc(=O)oc2c1 ZINC000767086119 1132947019 /nfs/dbraw/zinc/94/70/19/1132947019.db2.gz MNARJPNBJJQIFV-UHFFFAOYSA-N 1 2 341.357 3.938 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCc4c(F)cc(F)cc4C3)cc(=O)oc2c1 ZINC000767086119 1132947024 /nfs/dbraw/zinc/94/70/24/1132947024.db2.gz MNARJPNBJJQIFV-UHFFFAOYSA-N 1 2 341.357 3.938 20 0 EHADLO Clc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001176729966 1132988586 /nfs/dbraw/zinc/98/85/86/1132988586.db2.gz YWHPUUVUQPJBDP-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC001176743348 1132991411 /nfs/dbraw/zinc/99/14/11/1132991411.db2.gz IURMPIDSXKFZFJ-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCC(c2csc3ccccc32)CC1 ZINC001176878324 1133006557 /nfs/dbraw/zinc/00/65/57/1133006557.db2.gz LGPVLPSRYPBOAN-UHFFFAOYSA-N 1 2 339.464 3.894 20 0 EHADLO CCn1c(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)nc2c1cccc2F ZINC001176996005 1133020490 /nfs/dbraw/zinc/02/04/90/1133020490.db2.gz QNBLJVLLZXYKCK-INIZCTEOSA-N 1 2 333.451 3.832 20 0 EHADLO CCn1c(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)nc2c1cccc2F ZINC001176996005 1133020493 /nfs/dbraw/zinc/02/04/93/1133020493.db2.gz QNBLJVLLZXYKCK-INIZCTEOSA-N 1 2 333.451 3.832 20 0 EHADLO O=C(c1ccc2c(c1)CCC=C2)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177013855 1133021654 /nfs/dbraw/zinc/02/16/54/1133021654.db2.gz PRVIHRXSMMTLMJ-HXUWFJFHSA-N 1 2 336.410 3.572 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC001177013159 1133021920 /nfs/dbraw/zinc/02/19/20/1133021920.db2.gz IUXNSFJLRQOKEU-WOJBJXKFSA-N 1 2 340.442 3.738 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1Cn1ncn(-c2ccc(C)cc2C)c1=S ZINC000767774034 1133051649 /nfs/dbraw/zinc/05/16/49/1133051649.db2.gz ITZBBFRTRSZHBR-OAHLLOKOSA-N 1 2 348.541 3.805 20 0 EHADLO CSC[C@H]1CCC[N@H+]1Cn1ncn(-c2ccc(C)cc2C)c1=S ZINC000767774034 1133051654 /nfs/dbraw/zinc/05/16/54/1133051654.db2.gz ITZBBFRTRSZHBR-OAHLLOKOSA-N 1 2 348.541 3.805 20 0 EHADLO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000767752817 1133052874 /nfs/dbraw/zinc/05/28/74/1133052874.db2.gz DQYRUXGCOWFXDU-GOSISDBHSA-N 1 2 325.456 3.789 20 0 EHADLO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000767752817 1133052879 /nfs/dbraw/zinc/05/28/79/1133052879.db2.gz DQYRUXGCOWFXDU-GOSISDBHSA-N 1 2 325.456 3.789 20 0 EHADLO COc1nc(Cl)c(C[NH2+]Cc2ccccc2OC2CCCC2)n1C ZINC001177333372 1133055800 /nfs/dbraw/zinc/05/58/00/1133055800.db2.gz APSZQUYVRGWZOG-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)CN(C)c3cccc[nH+]3)c2)cs1 ZINC001177408357 1133063045 /nfs/dbraw/zinc/06/30/45/1133063045.db2.gz DOURXUYUMKFWNU-UHFFFAOYSA-N 1 2 338.436 3.588 20 0 EHADLO CCOc1cccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC001204202192 1133094116 /nfs/dbraw/zinc/09/41/16/1133094116.db2.gz IXLOYDDWUAAWLZ-UHFFFAOYSA-N 1 2 332.394 3.686 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768147716 1133096906 /nfs/dbraw/zinc/09/69/06/1133096906.db2.gz KEPPMHXOYDHTTL-ZDUSSCGKSA-N 1 2 341.386 3.634 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1Cl ZINC000768138863 1133101397 /nfs/dbraw/zinc/10/13/97/1133101397.db2.gz PUYWKEMMHNTJIR-ZSMUJPCHSA-N 1 2 343.858 3.883 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1Cl ZINC000768138861 1133101421 /nfs/dbraw/zinc/10/14/21/1133101421.db2.gz PUYWKEMMHNTJIR-IKESIWSLSA-N 1 2 343.858 3.883 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000768154138 1133102491 /nfs/dbraw/zinc/10/24/91/1133102491.db2.gz BLDRYEKHXITFQT-ZDUSSCGKSA-N 1 2 343.814 3.840 20 0 EHADLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(OC(C)(C)C)c2)cn1 ZINC001169986605 1133106341 /nfs/dbraw/zinc/10/63/41/1133106341.db2.gz WDUNQHUSUWTUTH-GOSISDBHSA-N 1 2 345.512 3.888 20 0 EHADLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(OC(C)(C)C)c2)cn1 ZINC001169986605 1133106342 /nfs/dbraw/zinc/10/63/42/1133106342.db2.gz WDUNQHUSUWTUTH-GOSISDBHSA-N 1 2 345.512 3.888 20 0 EHADLO CCC[N@@H+](Cc1coc(C2CC2)n1)C[C@H]1COc2ccccc2O1 ZINC000768180453 1133108906 /nfs/dbraw/zinc/10/89/06/1133108906.db2.gz PLOWNJXTOCCFBZ-INIZCTEOSA-N 1 2 328.412 3.604 20 0 EHADLO CCC[N@H+](Cc1coc(C2CC2)n1)C[C@H]1COc2ccccc2O1 ZINC000768180453 1133108908 /nfs/dbraw/zinc/10/89/08/1133108908.db2.gz PLOWNJXTOCCFBZ-INIZCTEOSA-N 1 2 328.412 3.604 20 0 EHADLO Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000768243040 1133119927 /nfs/dbraw/zinc/11/99/27/1133119927.db2.gz GOCWJPKMYTULQZ-UHFFFAOYSA-N 1 2 334.822 3.503 20 0 EHADLO Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177997099 1133122287 /nfs/dbraw/zinc/12/22/87/1133122287.db2.gz ZBRPEWMGBGAHIX-UHFFFAOYSA-N 1 2 348.406 3.542 20 0 EHADLO Cc1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cnc1Cl ZINC001178152804 1133137062 /nfs/dbraw/zinc/13/70/62/1133137062.db2.gz SDMZLCGYOHCTRE-UHFFFAOYSA-N 1 2 330.844 3.852 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCC1(c2ccccc2)CC1)n1cc[nH+]c1 ZINC001178180337 1133139579 /nfs/dbraw/zinc/13/95/79/1133139579.db2.gz ZZGACSHHYJDNLZ-SFHVURJKSA-N 1 2 325.456 3.708 20 0 EHADLO COc1nsc(CNc2ccc(N3CCCCC3)[nH+]c2)c1Cl ZINC001178253661 1133146122 /nfs/dbraw/zinc/14/61/22/1133146122.db2.gz AUSQERLYTDMZRB-UHFFFAOYSA-N 1 2 338.864 3.803 20 0 EHADLO CCc1[nH]c(CNC(=O)Cc2ccccc2Oc2ccc(C)cc2)c[nH+]1 ZINC001178669617 1133188637 /nfs/dbraw/zinc/18/86/37/1133188637.db2.gz KUONOJOCSHSPOA-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO CCc1[nH]cc(CNC(=O)Cc2ccccc2Oc2ccc(C)cc2)[nH+]1 ZINC001178669617 1133188643 /nfs/dbraw/zinc/18/86/43/1133188643.db2.gz KUONOJOCSHSPOA-UHFFFAOYSA-N 1 2 349.434 3.932 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178921845 1133212731 /nfs/dbraw/zinc/21/27/31/1133212731.db2.gz CKQRMKUFFZTRHU-UHFFFAOYSA-N 1 2 346.434 3.589 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000769046712 1133218231 /nfs/dbraw/zinc/21/82/31/1133218231.db2.gz HJMCDPYDWWMHAN-SJORKVTESA-N 1 2 334.508 3.767 20 0 EHADLO C[NH+](C)Cc1nc(CNC(=O)c2cc3cccc(Cl)c3s2)co1 ZINC001179128068 1133230512 /nfs/dbraw/zinc/23/05/12/1133230512.db2.gz FABJSMMQIQRLDM-UHFFFAOYSA-N 1 2 349.843 3.534 20 0 EHADLO COC(=O)c1ccc(CNc2ccc(Nc3ccccc3)c[nH+]2)n1C ZINC001179205114 1133235337 /nfs/dbraw/zinc/23/53/37/1133235337.db2.gz JVJHXMQSEPEGTC-UHFFFAOYSA-N 1 2 336.395 3.562 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000769232695 1133247207 /nfs/dbraw/zinc/24/72/07/1133247207.db2.gz LWPNHWIBOXBJFX-LBPRGKRZSA-N 1 2 328.840 3.764 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000769232695 1133247214 /nfs/dbraw/zinc/24/72/14/1133247214.db2.gz LWPNHWIBOXBJFX-LBPRGKRZSA-N 1 2 328.840 3.764 20 0 EHADLO Fc1ccc(-c2cc(C[NH2+]Cc3[nH]nc4ccccc43)no2)c(F)c1 ZINC001179501846 1133256966 /nfs/dbraw/zinc/25/69/66/1133256966.db2.gz FZKMFOBQMJSYOP-UHFFFAOYSA-N 1 2 340.333 3.786 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333771 1133264680 /nfs/dbraw/zinc/26/46/80/1133264680.db2.gz LALKYPGDQTVHHF-GFCCVEGCSA-N 1 2 344.377 3.545 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333771 1133264685 /nfs/dbraw/zinc/26/46/85/1133264685.db2.gz LALKYPGDQTVHHF-GFCCVEGCSA-N 1 2 344.377 3.545 20 0 EHADLO O=C(NCCn1cc[nH+]c1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001179652626 1133266659 /nfs/dbraw/zinc/26/66/59/1133266659.db2.gz XXKURPXWHOUYAP-UHFFFAOYSA-N 1 2 331.847 3.627 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000769416988 1133280523 /nfs/dbraw/zinc/28/05/23/1133280523.db2.gz RTFSGTHIWOZWAT-UKRRQHHQSA-N 1 2 342.430 3.756 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cscc1Cl)C2 ZINC000769502238 1133303229 /nfs/dbraw/zinc/30/32/29/1133303229.db2.gz IABAIBMBGLINGZ-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cscc1Cl)C2 ZINC000769502238 1133303235 /nfs/dbraw/zinc/30/32/35/1133303235.db2.gz IABAIBMBGLINGZ-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000769557040 1133314269 /nfs/dbraw/zinc/31/42/69/1133314269.db2.gz POBROTFBVCCARH-RYUDHWBXSA-N 1 2 342.277 3.700 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1coc(C2CCC2)n1 ZINC000769628587 1133318584 /nfs/dbraw/zinc/31/85/84/1133318584.db2.gz LFQKNBMOWDKZCU-UHFFFAOYSA-N 1 2 337.379 3.793 20 0 EHADLO Cc1ccccc1[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769733563 1133330145 /nfs/dbraw/zinc/33/01/45/1133330145.db2.gz DPMWUWCWIQSGNI-XLIONFOSSA-N 1 2 339.435 3.500 20 0 EHADLO Cc1ccccc1[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769733563 1133330148 /nfs/dbraw/zinc/33/01/48/1133330148.db2.gz DPMWUWCWIQSGNI-XLIONFOSSA-N 1 2 339.435 3.500 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000769751317 1133336928 /nfs/dbraw/zinc/33/69/28/1133336928.db2.gz AXNREYCRICDVOX-GFCCVEGCSA-N 1 2 342.830 3.575 20 0 EHADLO O=C1CCCCN1c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000769908618 1133357955 /nfs/dbraw/zinc/35/79/55/1133357955.db2.gz MAXIICFRHFESAP-UHFFFAOYSA-N 1 2 335.860 3.603 20 0 EHADLO Fc1cccc2cc(C[NH+]3CCN(Cc4ccsc4)CC3)cnc12 ZINC001180359537 1133361324 /nfs/dbraw/zinc/36/13/24/1133361324.db2.gz PDMNBCQLUHTMJO-UHFFFAOYSA-N 1 2 341.455 3.753 20 0 EHADLO CCCCOC(=O)c1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770045080 1133381315 /nfs/dbraw/zinc/38/13/15/1133381315.db2.gz OOUHWHCUCHXLQC-UHFFFAOYSA-N 1 2 337.379 3.544 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccco1)Cc1cccs1 ZINC000770054718 1133382921 /nfs/dbraw/zinc/38/29/21/1133382921.db2.gz IVKMOGFQMQJZQQ-UHFFFAOYSA-N 1 2 337.404 3.831 20 0 EHADLO Cc1cc(C)cc(OCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001180542925 1133389412 /nfs/dbraw/zinc/38/94/12/1133389412.db2.gz SXXNNTOCHFPLMU-UHFFFAOYSA-N 1 2 349.434 3.527 20 0 EHADLO O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc2[nH+]ccn21 ZINC000770418371 1133426642 /nfs/dbraw/zinc/42/66/42/1133426642.db2.gz SBLINVLOKBVJMK-UHFFFAOYSA-N 1 2 343.390 3.650 20 0 EHADLO Cc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccccc2C)c(N(C)C)[nH+]1 ZINC000770610705 1133453640 /nfs/dbraw/zinc/45/36/40/1133453640.db2.gz IATWLEHUDNGRSV-INIZCTEOSA-N 1 2 340.471 3.859 20 0 EHADLO CCCC[C@@H](O)CCC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001181387413 1133482270 /nfs/dbraw/zinc/48/22/70/1133482270.db2.gz VFCMPSGYPDQRIX-DLBZAZTESA-N 1 2 349.519 3.675 20 0 EHADLO C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921389 1133483607 /nfs/dbraw/zinc/48/36/07/1133483607.db2.gz CTPXLQPMGUYOEV-NSHDSACASA-N 1 2 348.761 3.638 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cccn1Cc1cccs1 ZINC000770921637 1133484029 /nfs/dbraw/zinc/48/40/29/1133484029.db2.gz DAINORRTQDIEFU-UHFFFAOYSA-N 1 2 337.404 3.603 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924060 1133484616 /nfs/dbraw/zinc/48/46/16/1133484616.db2.gz AUUJBQFBJNDNCO-OAHLLOKOSA-N 1 2 344.798 3.889 20 0 EHADLO COc1ccc(SCCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770922043 1133484959 /nfs/dbraw/zinc/48/49/59/1133484959.db2.gz XEGITMXJKAHRMK-UHFFFAOYSA-N 1 2 342.420 3.569 20 0 EHADLO COc1ccc2oc(C)c(C(=O)OCc3cccc4[nH+]ccn43)c2c1 ZINC000770925119 1133485842 /nfs/dbraw/zinc/48/58/42/1133485842.db2.gz KEGMOAKFSLOCPT-UHFFFAOYSA-N 1 2 336.347 3.755 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770931680 1133486843 /nfs/dbraw/zinc/48/68/43/1133486843.db2.gz VEABJWQDNPXCEQ-CQSZACIVSA-N 1 2 326.371 3.786 20 0 EHADLO C/C=C/C[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OCC ZINC001181458281 1133489738 /nfs/dbraw/zinc/48/97/38/1133489738.db2.gz UVDVLMQIBYWMGQ-RTWRAYRHSA-N 1 2 331.456 3.675 20 0 EHADLO CC[C@@H](CC(C)C)C(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001181855950 1133541292 /nfs/dbraw/zinc/54/12/92/1133541292.db2.gz VWHJRMXNVAWLQT-INIZCTEOSA-N 1 2 343.471 3.629 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccccc2C(C)(C)C)CC1 ZINC000771528433 1133570570 /nfs/dbraw/zinc/57/05/70/1133570570.db2.gz SFQWBTORAMGDTI-UHFFFAOYSA-N 1 2 338.442 3.786 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccccc2C(C)(C)C)CC1 ZINC000771528433 1133570574 /nfs/dbraw/zinc/57/05/74/1133570574.db2.gz SFQWBTORAMGDTI-UHFFFAOYSA-N 1 2 338.442 3.786 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006713 1133583758 /nfs/dbraw/zinc/58/37/58/1133583758.db2.gz ILYXSRCYEYPTJE-RCBQFDQVSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006713 1133583762 /nfs/dbraw/zinc/58/37/62/1133583762.db2.gz ILYXSRCYEYPTJE-RCBQFDQVSA-N 1 2 338.854 3.777 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1c(C)ncnc1C)c1ccccc1Cl ZINC001182218113 1133597912 /nfs/dbraw/zinc/59/79/12/1133597912.db2.gz GQFQPGSORGNDMX-QGZVFWFLSA-N 1 2 346.862 3.768 20 0 EHADLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1c2cc(Cl)ccc2oc1=S ZINC000771867309 1133603559 /nfs/dbraw/zinc/60/35/59/1133603559.db2.gz HJMBIXJTGUGAEY-LLVKDONJSA-N 1 2 340.832 3.602 20 0 EHADLO COC(=O)C[C@H]1CCC[N@H+]1Cn1c2cc(Cl)ccc2oc1=S ZINC000771867309 1133603562 /nfs/dbraw/zinc/60/35/62/1133603562.db2.gz HJMBIXJTGUGAEY-LLVKDONJSA-N 1 2 340.832 3.602 20 0 EHADLO Cc1ccc(SC2(C(=O)OCCn3cc[nH+]c3)CCCC2)cc1 ZINC000771994010 1133625804 /nfs/dbraw/zinc/62/58/04/1133625804.db2.gz IFJSQXFUEGEQNL-UHFFFAOYSA-N 1 2 330.453 3.840 20 0 EHADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000771975790 1133629771 /nfs/dbraw/zinc/62/97/71/1133629771.db2.gz LPTUZNORHRRMCD-LBPRGKRZSA-N 1 2 326.318 3.639 20 0 EHADLO C/C(=C\C(C)(C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000772108415 1133641252 /nfs/dbraw/zinc/64/12/52/1133641252.db2.gz BOQDAMRWLVMUTR-ZWKQNVPVSA-N 1 2 325.456 3.813 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1C(=O)OC(C)(C)C ZINC001182567135 1133700630 /nfs/dbraw/zinc/70/06/30/1133700630.db2.gz TXDFUKIRRYHTBL-WCQYABFASA-N 1 2 343.389 3.904 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1C(=O)OC(C)(C)C ZINC001182567135 1133700634 /nfs/dbraw/zinc/70/06/34/1133700634.db2.gz TXDFUKIRRYHTBL-WCQYABFASA-N 1 2 343.389 3.904 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C2CC2)cc1 ZINC000772567872 1133701016 /nfs/dbraw/zinc/70/10/16/1133701016.db2.gz OONWWZKJKARFHM-KRWDZBQOSA-N 1 2 326.444 3.997 20 0 EHADLO O=C(O[C@@H]1COc2cc(Cl)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774531367 1133719679 /nfs/dbraw/zinc/71/96/79/1133719679.db2.gz FTXJGWGCXWCGDP-QGZVFWFLSA-N 1 2 340.766 3.816 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182710059 1133721915 /nfs/dbraw/zinc/72/19/15/1133721915.db2.gz JMMGLPWZAHKVGQ-ZDUSSCGKSA-N 1 2 330.391 3.559 20 0 EHADLO C[C@@H](c1nc(CCCOc2cccc3ccccc32)no1)[NH+](C)C ZINC000785583603 1133722230 /nfs/dbraw/zinc/72/22/30/1133722230.db2.gz GERJXDYIUMNVJC-AWEZNQCLSA-N 1 2 325.412 3.857 20 0 EHADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)c1cccc(Oc2ccccc2)c1 ZINC001182744023 1133727641 /nfs/dbraw/zinc/72/76/41/1133727641.db2.gz XQPDAFXWWTVYAA-MRXNPFEDSA-N 1 2 349.434 3.675 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785644637 1133730105 /nfs/dbraw/zinc/73/01/05/1133730105.db2.gz XGOCUGXZTXDJSW-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785644637 1133730112 /nfs/dbraw/zinc/73/01/12/1133730112.db2.gz XGOCUGXZTXDJSW-UHFFFAOYSA-N 1 2 337.423 3.897 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCc3c(C)cccc3C2)cc1 ZINC000774604379 1133781361 /nfs/dbraw/zinc/78/13/61/1133781361.db2.gz VYMLKNOMBYHORC-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000774604379 1133781363 /nfs/dbraw/zinc/78/13/63/1133781363.db2.gz VYMLKNOMBYHORC-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)cc1O ZINC001183316913 1133792309 /nfs/dbraw/zinc/79/23/09/1133792309.db2.gz NGQJQISFIONBJO-MRXNPFEDSA-N 1 2 335.407 3.893 20 0 EHADLO CCc1cccc(Cl)c1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455196 1133809049 /nfs/dbraw/zinc/80/90/49/1133809049.db2.gz QULIFMQPZVDTHR-HNNXBMFYSA-N 1 2 348.796 3.545 20 0 EHADLO CCc1cccc(Cl)c1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455196 1133809058 /nfs/dbraw/zinc/80/90/58/1133809058.db2.gz QULIFMQPZVDTHR-HNNXBMFYSA-N 1 2 348.796 3.545 20 0 EHADLO CCc1ccc(C(C)(C)C(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001183514123 1133812620 /nfs/dbraw/zinc/81/26/20/1133812620.db2.gz RVDSUMSLXPPVDT-UHFFFAOYSA-N 1 2 325.456 3.765 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c2ccsc2n1 ZINC001183747668 1133852861 /nfs/dbraw/zinc/85/28/61/1133852861.db2.gz LPOVZLIHLLGEFY-KRWDZBQOSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c2ccsc2n1 ZINC001183747668 1133852867 /nfs/dbraw/zinc/85/28/67/1133852867.db2.gz LPOVZLIHLLGEFY-KRWDZBQOSA-N 1 2 337.448 3.818 20 0 EHADLO O=C(Nc1ccc2ccc(Cl)nc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001184071033 1133888849 /nfs/dbraw/zinc/88/88/49/1133888849.db2.gz OAQQZTOSGLSKCT-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO CCC1(C(=O)NCCSCc2[nH]c[nH+]c2C)CCC(F)(F)CC1 ZINC001184652717 1133972680 /nfs/dbraw/zinc/97/26/80/1133972680.db2.gz DXEJMALSPSDYJE-UHFFFAOYSA-N 1 2 345.459 3.673 20 0 EHADLO CC1(C)Oc2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2NC1=O ZINC001184968569 1134009000 /nfs/dbraw/zinc/00/90/00/1134009000.db2.gz QESLETGATKWCGV-UHFFFAOYSA-N 1 2 338.411 3.535 20 0 EHADLO CN(c1ccc[nH+]c1N1CCCC1)c1cc(Br)ccc1N ZINC001184968567 1134009227 /nfs/dbraw/zinc/00/92/27/1134009227.db2.gz QCTVBEOSKCQIFZ-UHFFFAOYSA-N 1 2 347.260 3.794 20 0 EHADLO C[C@@H](Cc1ccccc1)c1cc(C(=O)Nc2cccc3[nH+]ccn32)n[nH]1 ZINC001184968361 1134009387 /nfs/dbraw/zinc/00/93/87/1134009387.db2.gz OMNOCOGTZWFJCP-AWEZNQCLSA-N 1 2 345.406 3.656 20 0 EHADLO Cc1cc(NCC(=O)Nc2ccc(Cl)cc2)nc(C2CCC2)[nH+]1 ZINC001185028936 1134021312 /nfs/dbraw/zinc/02/13/12/1134021312.db2.gz MGPDQRFWZDMBHT-UHFFFAOYSA-N 1 2 330.819 3.757 20 0 EHADLO CCOC(=O)Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185043372 1134024142 /nfs/dbraw/zinc/02/41/42/1134024142.db2.gz MOKCFWVFBAPXQC-UHFFFAOYSA-N 1 2 325.412 3.531 20 0 EHADLO COCCOc1cccc(F)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001185043900 1134025055 /nfs/dbraw/zinc/02/50/55/1134025055.db2.gz PWNCAJINVWLDKS-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO CCc1cc(N(CC)Cc2ccc(OC)cc2OC)nc(CC)[nH+]1 ZINC001185073563 1134031546 /nfs/dbraw/zinc/03/15/46/1134031546.db2.gz ORHYETLTVAVVKI-UHFFFAOYSA-N 1 2 329.444 3.645 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000788021699 1134073971 /nfs/dbraw/zinc/07/39/71/1134073971.db2.gz YCUMOJLECANDPU-UHFFFAOYSA-N 1 2 348.853 3.747 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000788021699 1134073979 /nfs/dbraw/zinc/07/39/79/1134073979.db2.gz YCUMOJLECANDPU-UHFFFAOYSA-N 1 2 348.853 3.747 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000788021015 1134074124 /nfs/dbraw/zinc/07/41/24/1134074124.db2.gz SDYQCSVXQGJTBM-CQSZACIVSA-N 1 2 334.851 3.906 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000788021015 1134074129 /nfs/dbraw/zinc/07/41/29/1134074129.db2.gz SDYQCSVXQGJTBM-CQSZACIVSA-N 1 2 334.851 3.906 20 0 EHADLO OCCC[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccccc1 ZINC001185450411 1134089430 /nfs/dbraw/zinc/08/94/30/1134089430.db2.gz GLHYITFTBAQPMQ-MRXNPFEDSA-N 1 2 332.407 3.808 20 0 EHADLO C[NH+](C)Cc1cccc(NS(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185455210 1134091267 /nfs/dbraw/zinc/09/12/67/1134091267.db2.gz ZLQFNPSYEKVIJS-UHFFFAOYSA-N 1 2 346.477 3.764 20 0 EHADLO O=C(CCc1ccco1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240975 1134099925 /nfs/dbraw/zinc/09/99/25/1134099925.db2.gz GLIGTGBHLTWGEE-HNNXBMFYSA-N 1 2 341.455 3.657 20 0 EHADLO O=C(CCc1ccco1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240975 1134099933 /nfs/dbraw/zinc/09/99/33/1134099933.db2.gz GLIGTGBHLTWGEE-HNNXBMFYSA-N 1 2 341.455 3.657 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2c[nH+]ccc2OC)ccc1Cl ZINC001185697859 1134121286 /nfs/dbraw/zinc/12/12/86/1134121286.db2.gz GNQGBCJOVHVQNL-UHFFFAOYSA-N 1 2 333.819 3.969 20 0 EHADLO O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001185758555 1134129216 /nfs/dbraw/zinc/12/92/16/1134129216.db2.gz RUFGVVWLHSCRHE-QGZVFWFLSA-N 1 2 349.425 3.513 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC001185785119 1134133425 /nfs/dbraw/zinc/13/34/25/1134133425.db2.gz WXZNQCMOATWRQB-UHFFFAOYSA-N 1 2 346.434 3.742 20 0 EHADLO O=C(C[C@@H]1CCc2cc(F)ccc2C1)NCc1c[nH+]cn1C1CCC1 ZINC001186165516 1134173147 /nfs/dbraw/zinc/17/31/47/1134173147.db2.gz MPTKLPLMALSGBL-CQSZACIVSA-N 1 2 341.430 3.559 20 0 EHADLO CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc2ccccc2n2c[nH+]cc12 ZINC001186267896 1134190337 /nfs/dbraw/zinc/19/03/37/1134190337.db2.gz YYJLRRRPIWABDF-UHFFFAOYSA-N 1 2 334.427 3.540 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000788960037 1134195536 /nfs/dbraw/zinc/19/55/36/1134195536.db2.gz AZAYQZVOEPZVSS-PZYDMAICSA-N 1 2 340.389 3.712 20 0 EHADLO C/C=C(/CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000788960037 1134195538 /nfs/dbraw/zinc/19/55/38/1134195538.db2.gz AZAYQZVOEPZVSS-PZYDMAICSA-N 1 2 340.389 3.712 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC001186389308 1134206845 /nfs/dbraw/zinc/20/68/45/1134206845.db2.gz MVGBPNIVLUVYEH-YJBOKZPZSA-N 1 2 331.460 3.603 20 0 EHADLO C[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000789024403 1134209379 /nfs/dbraw/zinc/20/93/79/1134209379.db2.gz WCJYOVDFBZKKCC-OAHLLOKOSA-N 1 2 346.519 3.791 20 0 EHADLO CCCCCC(C)(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789080964 1134219460 /nfs/dbraw/zinc/21/94/60/1134219460.db2.gz ZSILNIVNAMCOSA-QGZVFWFLSA-N 1 2 333.476 3.851 20 0 EHADLO CC(=O)c1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000789140516 1134229464 /nfs/dbraw/zinc/22/94/64/1134229464.db2.gz GGKABWFCNWPLMP-UHFFFAOYSA-N 1 2 334.375 3.740 20 0 EHADLO Cc1cc(NC[C@@H](OC2CCCC2)C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001186973478 1134280077 /nfs/dbraw/zinc/28/00/77/1134280077.db2.gz KELBFEZJGSTTHQ-CYBMUJFWSA-N 1 2 329.366 3.964 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1cc(Cl)cc(Cl)c1 ZINC001187170527 1134311067 /nfs/dbraw/zinc/31/10/67/1134311067.db2.gz QFCGFMXCYTZVSP-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO CCc1ccccc1NC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001187662647 1134362762 /nfs/dbraw/zinc/36/27/62/1134362762.db2.gz BVKAFSISXNKBST-UHFFFAOYSA-N 1 2 334.423 3.816 20 0 EHADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CCC[C@H]1c1ccsc1)C2 ZINC000790439258 1134418114 /nfs/dbraw/zinc/41/81/14/1134418114.db2.gz VSIFTLGTZDSBHR-KRWDZBQOSA-N 1 2 328.437 3.507 20 0 EHADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CCC[C@H]1c1ccsc1)C2 ZINC000790439258 1134418117 /nfs/dbraw/zinc/41/81/17/1134418117.db2.gz VSIFTLGTZDSBHR-KRWDZBQOSA-N 1 2 328.437 3.507 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1ccncc1O ZINC001188637456 1134492542 /nfs/dbraw/zinc/49/25/42/1134492542.db2.gz ZYONTPGSNDEDBY-UHFFFAOYSA-N 1 2 345.402 3.555 20 0 EHADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1ccncc1O ZINC001188637456 1134492546 /nfs/dbraw/zinc/49/25/46/1134492546.db2.gz ZYONTPGSNDEDBY-UHFFFAOYSA-N 1 2 345.402 3.555 20 0 EHADLO O=C(Cc1cccs1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270715 1134524807 /nfs/dbraw/zinc/52/48/07/1134524807.db2.gz GPNMGAYUCHKBKM-CQSZACIVSA-N 1 2 343.496 3.735 20 0 EHADLO O=C(Cc1cccs1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270715 1134524810 /nfs/dbraw/zinc/52/48/10/1134524810.db2.gz GPNMGAYUCHKBKM-CQSZACIVSA-N 1 2 343.496 3.735 20 0 EHADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)Nc1cc(Cl)ccc1Cl ZINC001189008744 1134531847 /nfs/dbraw/zinc/53/18/47/1134531847.db2.gz PLOQUIJONDVYRV-NSHDSACASA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)Nc1cc(Cl)ccc1Cl ZINC001189008744 1134531851 /nfs/dbraw/zinc/53/18/51/1134531851.db2.gz PLOQUIJONDVYRV-NSHDSACASA-N 1 2 334.222 3.549 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1cc(Cl)ccc1Cl ZINC001189015316 1134532621 /nfs/dbraw/zinc/53/26/21/1134532621.db2.gz NOBOPKCYXFAOMP-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1OCCc2ccccc21 ZINC000791419138 1134548383 /nfs/dbraw/zinc/54/83/83/1134548383.db2.gz ZZGVRBLCWHJXIW-FQEVSTJZSA-N 1 2 348.402 3.538 20 0 EHADLO CC[C@@H]1C[C@@H](CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000791448874 1134552811 /nfs/dbraw/zinc/55/28/11/1134552811.db2.gz OIPBNUKRLQBRBZ-QFBILLFUSA-N 1 2 342.439 3.819 20 0 EHADLO COCCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCCC1 ZINC000791423066 1134554833 /nfs/dbraw/zinc/55/48/33/1134554833.db2.gz SLMJZHVMCOMVHA-UHFFFAOYSA-N 1 2 342.439 3.821 20 0 EHADLO CC1(C)CN=C(N2CC[NH+](Cc3cccc(C(F)F)c3)CC2)S1 ZINC000791475883 1134561866 /nfs/dbraw/zinc/56/18/66/1134561866.db2.gz ASWVETRECRQQRA-UHFFFAOYSA-N 1 2 339.455 3.623 20 0 EHADLO Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)s1 ZINC000791642634 1134583716 /nfs/dbraw/zinc/58/37/16/1134583716.db2.gz PRZFRFHBYBBCRN-KRWDZBQOSA-N 1 2 344.480 3.858 20 0 EHADLO Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)s1 ZINC000791642634 1134583719 /nfs/dbraw/zinc/58/37/19/1134583719.db2.gz PRZFRFHBYBBCRN-KRWDZBQOSA-N 1 2 344.480 3.858 20 0 EHADLO Nc1cc(COC(=O)CCCn2ccc3cc(Cl)ccc32)cc[nH+]1 ZINC000792072674 1134647669 /nfs/dbraw/zinc/64/76/69/1134647669.db2.gz JYRKTVGDNGOCEP-UHFFFAOYSA-N 1 2 343.814 3.796 20 0 EHADLO COc1cc(NC(=O)c2ccccc2-n2cc[nH+]c2)cc2cccnc21 ZINC001190100808 1134656080 /nfs/dbraw/zinc/65/60/80/1134656080.db2.gz WZNQVIFITNXCQZ-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCc1cn(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC001190104550 1134656633 /nfs/dbraw/zinc/65/66/33/1134656633.db2.gz STCHCZTVHGCIAS-SNVBAGLBSA-N 1 2 326.227 3.630 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)n1)c1ccccc1-n1cc[nH+]c1 ZINC001190075400 1134657965 /nfs/dbraw/zinc/65/79/65/1134657965.db2.gz RWMVVAQBEURUBM-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO Nc1cc(COC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc[nH+]1 ZINC000792159356 1134659760 /nfs/dbraw/zinc/65/97/60/1134659760.db2.gz XEVKBBNEVHWCDH-UHFFFAOYSA-N 1 2 330.693 3.693 20 0 EHADLO c1ccc(OC[C@@H]2C[N@H+](Cc3cncc4ccccc43)CCO2)cc1 ZINC000792186925 1134665014 /nfs/dbraw/zinc/66/50/14/1134665014.db2.gz JPIJNSUNYDVNHV-FQEVSTJZSA-N 1 2 334.419 3.515 20 0 EHADLO c1ccc(OC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)CCO2)cc1 ZINC000792186925 1134665019 /nfs/dbraw/zinc/66/50/19/1134665019.db2.gz JPIJNSUNYDVNHV-FQEVSTJZSA-N 1 2 334.419 3.515 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000792269558 1134676122 /nfs/dbraw/zinc/67/61/22/1134676122.db2.gz STJCEBQLORWVHE-OAHLLOKOSA-N 1 2 336.863 3.944 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000792269558 1134676126 /nfs/dbraw/zinc/67/61/26/1134676126.db2.gz STJCEBQLORWVHE-OAHLLOKOSA-N 1 2 336.863 3.944 20 0 EHADLO COc1ccccc1Cc1cn(C[C@@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC001190284169 1134680029 /nfs/dbraw/zinc/68/00/29/1134680029.db2.gz UTJIQFNVSFSPKL-SFHVURJKSA-N 1 2 326.440 3.974 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360206 1134681364 /nfs/dbraw/zinc/68/13/64/1134681364.db2.gz DWFCJEAXMXMDGR-CRAIPNDOSA-N 1 2 348.487 3.536 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360206 1134681368 /nfs/dbraw/zinc/68/13/68/1134681368.db2.gz DWFCJEAXMXMDGR-CRAIPNDOSA-N 1 2 348.487 3.536 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2oc3ccccc3c2c1)c1nnnn1C1CC1 ZINC000792471146 1134690325 /nfs/dbraw/zinc/69/03/25/1134690325.db2.gz QHOVKBMGYNHFMW-LBPRGKRZSA-N 1 2 333.395 3.758 20 0 EHADLO CC[C@H]1CN(CC)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001170272529 1134729661 /nfs/dbraw/zinc/72/96/61/1134729661.db2.gz IPDOZOFWUMNNPD-HNNXBMFYSA-N 1 2 331.287 3.788 20 0 EHADLO CC[C@H]1CN(CC)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001170272529 1134729664 /nfs/dbraw/zinc/72/96/64/1134729664.db2.gz IPDOZOFWUMNNPD-HNNXBMFYSA-N 1 2 331.287 3.788 20 0 EHADLO C[C@H]1CSCC[N@H+](Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 ZINC000792719225 1134778160 /nfs/dbraw/zinc/77/81/60/1134778160.db2.gz HICKDMHIUDZGHM-HSBSLETESA-N 1 2 346.525 3.753 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 ZINC000792719225 1134778165 /nfs/dbraw/zinc/77/81/65/1134778165.db2.gz HICKDMHIUDZGHM-HSBSLETESA-N 1 2 346.525 3.753 20 0 EHADLO C[C@H]1CSCC[N@H+](Cn2[nH]c(/C=C\c3ccccc3)nc2=S)C1 ZINC000792719229 1134778501 /nfs/dbraw/zinc/77/85/01/1134778501.db2.gz HICKDMHIUDZGHM-WBTMPAOCSA-N 1 2 346.525 3.753 20 0 EHADLO C[C@H]1CSCC[N@@H+](Cn2[nH]c(/C=C\c3ccccc3)nc2=S)C1 ZINC000792719229 1134778506 /nfs/dbraw/zinc/77/85/06/1134778506.db2.gz HICKDMHIUDZGHM-WBTMPAOCSA-N 1 2 346.525 3.753 20 0 EHADLO NC(=[NH+]OCC1CCC2(CC1)OCCO2)c1cccc2ccccc21 ZINC000792731221 1134788094 /nfs/dbraw/zinc/78/80/94/1134788094.db2.gz KPMUPVOYCUPAET-UHFFFAOYSA-N 1 2 340.423 3.620 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC001191541496 1134882366 /nfs/dbraw/zinc/88/23/66/1134882366.db2.gz TXOWGEFHYJPFNF-IUODEOHRSA-N 1 2 340.261 3.641 20 0 EHADLO COC(=O)[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](C(C)C)C1 ZINC001191541496 1134882372 /nfs/dbraw/zinc/88/23/72/1134882372.db2.gz TXOWGEFHYJPFNF-IUODEOHRSA-N 1 2 340.261 3.641 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)CCCSc1ccc(Cl)cc1 ZINC000793256118 1134891703 /nfs/dbraw/zinc/89/17/03/1134891703.db2.gz OGMCZOBRZKLDHI-UHFFFAOYSA-N 1 2 338.860 3.732 20 0 EHADLO CCc1nc(CN2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC001191664326 1134901463 /nfs/dbraw/zinc/90/14/63/1134901463.db2.gz RHVAICLQNJZQIT-ROUUACIJSA-N 1 2 345.487 3.518 20 0 EHADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccnc1F ZINC000793283047 1134902035 /nfs/dbraw/zinc/90/20/35/1134902035.db2.gz ZINXLUJMZHJRSR-UHFFFAOYSA-N 1 2 348.784 3.797 20 0 EHADLO OCC[N@H+](Cc1ccc2ccccc2c1)Cc1cccnc1Cl ZINC000793364059 1134910568 /nfs/dbraw/zinc/91/05/68/1134910568.db2.gz KTCKYGUYXGVQMH-UHFFFAOYSA-N 1 2 326.827 3.883 20 0 EHADLO OCC[N@@H+](Cc1ccc2ccccc2c1)Cc1cccnc1Cl ZINC000793364059 1134910573 /nfs/dbraw/zinc/91/05/73/1134910573.db2.gz KTCKYGUYXGVQMH-UHFFFAOYSA-N 1 2 326.827 3.883 20 0 EHADLO O=C(CCOCC1CC1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390644 1134922257 /nfs/dbraw/zinc/92/22/57/1134922257.db2.gz ILHGCIYZKMVTQS-UHFFFAOYSA-N 1 2 340.423 3.609 20 0 EHADLO CSC1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000793391905 1134922850 /nfs/dbraw/zinc/92/28/50/1134922850.db2.gz VOVFMOIRSVXUBI-UHFFFAOYSA-N 1 2 328.437 3.687 20 0 EHADLO Cc1ccc(NC(=O)c2ccccc2OC(F)(F)F)c(N(C)C)[nH+]1 ZINC000775490457 1134938855 /nfs/dbraw/zinc/93/88/55/1134938855.db2.gz ACXZCIVGVXZCTR-UHFFFAOYSA-N 1 2 339.317 3.607 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)NCc3c[nH+]cn3C3CCC3)n2)cc1 ZINC001192067434 1134964348 /nfs/dbraw/zinc/96/43/48/1134964348.db2.gz QANBGVSAGXLQAL-UHFFFAOYSA-N 1 2 346.434 3.909 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001192213170 1134980976 /nfs/dbraw/zinc/98/09/76/1134980976.db2.gz CDODMTSUDIDOTK-TZMCWYRMSA-N 1 2 331.362 3.724 20 0 EHADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC001192213170 1134980981 /nfs/dbraw/zinc/98/09/81/1134980981.db2.gz CDODMTSUDIDOTK-TZMCWYRMSA-N 1 2 331.362 3.724 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001192225035 1134988335 /nfs/dbraw/zinc/98/83/35/1134988335.db2.gz XAXFDBLNHVOFNM-UHFFFAOYSA-N 1 2 346.368 3.591 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001192225035 1134988340 /nfs/dbraw/zinc/98/83/40/1134988340.db2.gz XAXFDBLNHVOFNM-UHFFFAOYSA-N 1 2 346.368 3.591 20 0 EHADLO CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC000793778628 1134993689 /nfs/dbraw/zinc/99/36/89/1134993689.db2.gz DOBZMJQNZLEFAC-KRWDZBQOSA-N 1 2 344.434 3.745 20 0 EHADLO CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC000793778628 1134993695 /nfs/dbraw/zinc/99/36/95/1134993695.db2.gz DOBZMJQNZLEFAC-KRWDZBQOSA-N 1 2 344.434 3.745 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(Oc2ccc(O)cc2)cc1 ZINC001192431384 1135013537 /nfs/dbraw/zinc/01/35/37/1135013537.db2.gz BXFFJKRSMDHIGO-UHFFFAOYSA-N 1 2 346.386 3.742 20 0 EHADLO Brc1cccc2c1CCCCN2CCCn1cc[nH+]c1 ZINC001192501241 1135024461 /nfs/dbraw/zinc/02/44/61/1135024461.db2.gz MDHRFVKWHOPJMH-UHFFFAOYSA-N 1 2 334.261 3.879 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CC(c2ccc(F)cc2)C1 ZINC000794250088 1135031654 /nfs/dbraw/zinc/03/16/54/1135031654.db2.gz XFYLZAAXLXDBER-UHFFFAOYSA-N 1 2 349.409 3.821 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC3CC(C)(C)C3)CC2)cc1 ZINC000794351585 1135043073 /nfs/dbraw/zinc/04/30/73/1135043073.db2.gz BBXDTDYOFINHFR-UHFFFAOYSA-N 1 2 343.515 3.664 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1F ZINC001192689046 1135045444 /nfs/dbraw/zinc/04/54/44/1135045444.db2.gz BEHJZBFSEOWWAB-CYBMUJFWSA-N 1 2 333.304 3.965 20 0 EHADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC001192720592 1135050926 /nfs/dbraw/zinc/05/09/26/1135050926.db2.gz WYJDDSFEUADBJA-UHFFFAOYSA-N 1 2 335.806 3.697 20 0 EHADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC001192720592 1135050930 /nfs/dbraw/zinc/05/09/30/1135050930.db2.gz WYJDDSFEUADBJA-UHFFFAOYSA-N 1 2 335.806 3.697 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001192848267 1135064872 /nfs/dbraw/zinc/06/48/72/1135064872.db2.gz NTSYBGFLMWSWDN-KRWDZBQOSA-N 1 2 335.806 3.868 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001192848267 1135064879 /nfs/dbraw/zinc/06/48/79/1135064879.db2.gz NTSYBGFLMWSWDN-KRWDZBQOSA-N 1 2 335.806 3.868 20 0 EHADLO C[C@@H]1CN=C(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)S1 ZINC000804505423 1135093051 /nfs/dbraw/zinc/09/30/51/1135093051.db2.gz AULBFFJKOXLSLD-GFCCVEGCSA-N 1 2 346.887 3.502 20 0 EHADLO c1c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)nnn1Cc1ccccc1 ZINC000775568006 1135095344 /nfs/dbraw/zinc/09/53/44/1135095344.db2.gz KXADUAIMHOHXIS-OAQYLSRUSA-N 1 2 347.466 3.839 20 0 EHADLO c1c(C[N@H+]2CCCCC[C@@H]2c2ccncc2)nnn1Cc1ccccc1 ZINC000775568006 1135095350 /nfs/dbraw/zinc/09/53/50/1135095350.db2.gz KXADUAIMHOHXIS-OAQYLSRUSA-N 1 2 347.466 3.839 20 0 EHADLO CC1([C@H]2CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)OCCO1 ZINC000804613646 1135140510 /nfs/dbraw/zinc/14/05/10/1135140510.db2.gz WKZBZGTVOBSYMW-ZDUSSCGKSA-N 1 2 332.831 3.868 20 0 EHADLO COC[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@@H](C)O1 ZINC001193526024 1135151997 /nfs/dbraw/zinc/15/19/97/1135151997.db2.gz GPQIVTMDBLUADK-CRAIPNDOSA-N 1 2 345.414 3.854 20 0 EHADLO COC[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C[C@@H](C)O1 ZINC001193526024 1135152001 /nfs/dbraw/zinc/15/20/01/1135152001.db2.gz GPQIVTMDBLUADK-CRAIPNDOSA-N 1 2 345.414 3.854 20 0 EHADLO Cc1ccc(Cl)c2c1CCCN2C(=O)c1cccc2[nH+]ccn21 ZINC001129804092 1135162975 /nfs/dbraw/zinc/16/29/75/1135162975.db2.gz DVPGEDUTVIWBRD-UHFFFAOYSA-N 1 2 325.799 3.889 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(F)cc1)OC1CCCCC1 ZINC001193650509 1135166508 /nfs/dbraw/zinc/16/65/08/1135166508.db2.gz VQDXHMBXOFOMBU-UHFFFAOYSA-N 1 2 331.391 3.629 20 0 EHADLO CCCCOC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001193722305 1135172473 /nfs/dbraw/zinc/17/24/73/1135172473.db2.gz NTKAZWBQUBNUAY-UHFFFAOYSA-N 1 2 342.842 3.970 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc12 ZINC001193834193 1135190932 /nfs/dbraw/zinc/19/09/32/1135190932.db2.gz WERGZKPERYWDNY-UHFFFAOYSA-N 1 2 337.404 3.597 20 0 EHADLO CCCC[C@H](CC)COC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001193960643 1135206765 /nfs/dbraw/zinc/20/67/65/1135206765.db2.gz TXLOXELAMXXOQJ-SFHVURJKSA-N 1 2 347.503 3.595 20 0 EHADLO CCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001194205152 1135243417 /nfs/dbraw/zinc/24/34/17/1135243417.db2.gz ICZZQZOXIWTTCI-UHFFFAOYSA-N 1 2 345.443 3.747 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC001194561288 1135285467 /nfs/dbraw/zinc/28/54/67/1135285467.db2.gz AVYLDNVLHMMZNP-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC001194561288 1135285469 /nfs/dbraw/zinc/28/54/69/1135285469.db2.gz AVYLDNVLHMMZNP-GOSISDBHSA-N 1 2 346.858 3.561 20 0 EHADLO O=C(NC1(c2ccccc2F)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001130331967 1135312422 /nfs/dbraw/zinc/31/24/22/1135312422.db2.gz GLMBXYMRDVBTTE-UHFFFAOYSA-N 1 2 349.409 3.880 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ccc3c(C)cc(=O)oc3c2)c1C ZINC000805770707 1135323850 /nfs/dbraw/zinc/32/38/50/1135323850.db2.gz VHACEBYNWAQOAL-UHFFFAOYSA-N 1 2 338.407 3.758 20 0 EHADLO Cn1ccc2cc(CNC(=O)c3cccc(-c4c[nH+]cn4C)c3)ccc21 ZINC001194885786 1135335315 /nfs/dbraw/zinc/33/53/15/1135335315.db2.gz APDOHNHYYRMHLV-UHFFFAOYSA-N 1 2 344.418 3.509 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC001194908611 1135339406 /nfs/dbraw/zinc/33/94/06/1135339406.db2.gz XSCYTKMUHAAZQS-UHFFFAOYSA-N 1 2 333.435 3.795 20 0 EHADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)o1 ZINC000348222719 1135418276 /nfs/dbraw/zinc/41/82/76/1135418276.db2.gz FWOCJWBKLXLRPS-UKRRQHHQSA-N 1 2 333.407 3.513 20 0 EHADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)o1 ZINC000348222719 1135418279 /nfs/dbraw/zinc/41/82/79/1135418279.db2.gz FWOCJWBKLXLRPS-UKRRQHHQSA-N 1 2 333.407 3.513 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cccc3ccccc32)c1C ZINC000102009274 1135439302 /nfs/dbraw/zinc/43/93/02/1135439302.db2.gz KSYZKEPGFKXYEW-UHFFFAOYSA-N 1 2 349.434 3.860 20 0 EHADLO CCOC(=O)[C@H]([NH2+]CC[C@H](O)c1ccccc1)C1CCCCCC1 ZINC001195621998 1135443798 /nfs/dbraw/zinc/44/37/98/1135443798.db2.gz GLPUZGXTSQJGKH-RBUKOAKNSA-N 1 2 333.472 3.602 20 0 EHADLO CCc1cc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1F ZINC000806560073 1135459662 /nfs/dbraw/zinc/45/96/62/1135459662.db2.gz IXHSQYZWXYMKLK-UHFFFAOYSA-N 1 2 331.391 3.730 20 0 EHADLO C[C@H](Cc1nc([C@H]2CCSc3ccccc32)no1)n1cc[nH+]c1 ZINC000867144328 1135495518 /nfs/dbraw/zinc/49/55/18/1135495518.db2.gz VHPLZGATCOVGAH-OCCSQVGLSA-N 1 2 326.425 3.698 20 0 EHADLO S=C(NCc1c[nH+]cn1CC1CCC1)NCc1cccc(Cl)c1 ZINC001196002077 1135501922 /nfs/dbraw/zinc/50/19/22/1135501922.db2.gz KJLJJEBORSAMSL-UHFFFAOYSA-N 1 2 348.903 3.501 20 0 EHADLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001196014737 1135506242 /nfs/dbraw/zinc/50/62/42/1135506242.db2.gz XDXBPHBBCOTAIR-SKDZVZGDSA-N 1 2 342.389 3.878 20 0 EHADLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001196014737 1135506244 /nfs/dbraw/zinc/50/62/44/1135506244.db2.gz XDXBPHBBCOTAIR-SKDZVZGDSA-N 1 2 342.389 3.878 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000747368199 1135511726 /nfs/dbraw/zinc/51/17/26/1135511726.db2.gz BMEACRGQPICOIN-CHYADLBTSA-N 1 2 329.419 3.657 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)c(F)cc2F)n1 ZINC000747390510 1135535442 /nfs/dbraw/zinc/53/54/42/1135535442.db2.gz NUCCZPWXSAJOHS-UHFFFAOYSA-N 1 2 343.374 3.655 20 0 EHADLO Cc1[nH+]c2c(NC(=S)NCc3ccc(F)cc3)cccn2c1C ZINC001196465127 1135564207 /nfs/dbraw/zinc/56/42/07/1135564207.db2.gz TXOUGWLLOJJPFC-UHFFFAOYSA-N 1 2 328.416 3.577 20 0 EHADLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564532 1135576661 /nfs/dbraw/zinc/57/66/61/1135576661.db2.gz XJJQROOLYSTESE-GXFFZTMASA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564532 1135576665 /nfs/dbraw/zinc/57/66/65/1135576665.db2.gz XJJQROOLYSTESE-GXFFZTMASA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001196736029 1135605801 /nfs/dbraw/zinc/60/58/01/1135605801.db2.gz JNKHODMXRIWDLH-PZJWPPBQSA-N 1 2 337.463 3.871 20 0 EHADLO O=C(OC1CCCC1)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001196748114 1135607150 /nfs/dbraw/zinc/60/71/50/1135607150.db2.gz WONYONJJMZHFPF-DMUMMCEESA-N 1 2 327.468 3.719 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccc(-c2cccs2)nc1 ZINC001196794479 1135611110 /nfs/dbraw/zinc/61/11/10/1135611110.db2.gz ZYQJAFIRCLLQKZ-UHFFFAOYSA-N 1 2 338.436 3.662 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433404 1135625653 /nfs/dbraw/zinc/62/56/53/1135625653.db2.gz QOVSZJGBIUIXGO-MAUKXSAKSA-N 1 2 330.472 3.842 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)o1 ZINC000016433404 1135625656 /nfs/dbraw/zinc/62/56/56/1135625656.db2.gz QOVSZJGBIUIXGO-MAUKXSAKSA-N 1 2 330.472 3.842 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(=S)n1-c1ccccc1 ZINC000808230512 1135638432 /nfs/dbraw/zinc/63/84/32/1135638432.db2.gz JNXIEFRBNYYMNR-INIZCTEOSA-N 1 2 328.485 3.791 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c(=S)n1-c1ccccc1 ZINC000808230512 1135638433 /nfs/dbraw/zinc/63/84/33/1135638433.db2.gz JNXIEFRBNYYMNR-INIZCTEOSA-N 1 2 328.485 3.791 20 0 EHADLO CC[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](CO)c1ccccc1 ZINC001197254428 1135665652 /nfs/dbraw/zinc/66/56/52/1135665652.db2.gz GFWLOTJJHQVLRR-SFHVURJKSA-N 1 2 328.456 3.745 20 0 EHADLO CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](CO)c1ccccc1 ZINC001197254428 1135665653 /nfs/dbraw/zinc/66/56/53/1135665653.db2.gz GFWLOTJJHQVLRR-SFHVURJKSA-N 1 2 328.456 3.745 20 0 EHADLO CCc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1Br ZINC001131309854 1135672060 /nfs/dbraw/zinc/67/20/60/1135672060.db2.gz ZFHVEWIMIPOCMZ-UHFFFAOYSA-N 1 2 344.212 3.912 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001197542635 1135703251 /nfs/dbraw/zinc/70/32/51/1135703251.db2.gz MAQSIGSHKSOAJK-CQSZACIVSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001197542635 1135703255 /nfs/dbraw/zinc/70/32/55/1135703255.db2.gz MAQSIGSHKSOAJK-CQSZACIVSA-N 1 2 334.769 3.861 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001197652490 1135716835 /nfs/dbraw/zinc/71/68/35/1135716835.db2.gz QMTDPFGGZWVSNT-GFCCVEGCSA-N 1 2 336.823 3.534 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000808760637 1135728414 /nfs/dbraw/zinc/72/84/14/1135728414.db2.gz BNWPFGIFUQRQBL-MRXNPFEDSA-N 1 2 348.878 3.788 20 0 EHADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000808760637 1135728418 /nfs/dbraw/zinc/72/84/18/1135728418.db2.gz BNWPFGIFUQRQBL-MRXNPFEDSA-N 1 2 348.878 3.788 20 0 EHADLO Cc1cccc(C[NH+](CCC(=O)C(C)C)Cc2cccc(C)n2)n1 ZINC000808739001 1135733827 /nfs/dbraw/zinc/73/38/27/1135733827.db2.gz YIGQBJXEANOQNJ-UHFFFAOYSA-N 1 2 325.456 3.711 20 0 EHADLO Cc1cc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC001198130106 1135774532 /nfs/dbraw/zinc/77/45/32/1135774532.db2.gz DEIQUNIVKAORIL-KRWDZBQOSA-N 1 2 348.397 3.552 20 0 EHADLO Cc1cc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC001198130106 1135774537 /nfs/dbraw/zinc/77/45/37/1135774537.db2.gz DEIQUNIVKAORIL-KRWDZBQOSA-N 1 2 348.397 3.552 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001131586571 1135793397 /nfs/dbraw/zinc/79/33/97/1135793397.db2.gz DXRAMMSLUVHQIF-IBGZPJMESA-N 1 2 333.435 3.751 20 0 EHADLO Clc1csc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000809303440 1135817998 /nfs/dbraw/zinc/81/79/98/1135817998.db2.gz XMSKSXJPYSWBMO-UHFFFAOYSA-N 1 2 343.799 3.758 20 0 EHADLO CCNc1cc(CNC(=O)Nc2ccccc2OCC(C)C)cc[nH+]1 ZINC001198515230 1135829748 /nfs/dbraw/zinc/82/97/48/1135829748.db2.gz NPDRKUIRSHEVIS-UHFFFAOYSA-N 1 2 342.443 3.870 20 0 EHADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001170582116 1135847423 /nfs/dbraw/zinc/84/74/23/1135847423.db2.gz UCHKRONYHDAYQA-YPMHNXCESA-N 1 2 328.239 3.693 20 0 EHADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001170582116 1135847431 /nfs/dbraw/zinc/84/74/31/1135847431.db2.gz UCHKRONYHDAYQA-YPMHNXCESA-N 1 2 328.239 3.693 20 0 EHADLO CC[C@H]1C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578737 1135853693 /nfs/dbraw/zinc/85/36/93/1135853693.db2.gz PMBYWBNBMMVJDR-NSHDSACASA-N 1 2 330.284 3.969 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)CCS1 ZINC000809578737 1135853696 /nfs/dbraw/zinc/85/36/96/1135853696.db2.gz PMBYWBNBMMVJDR-NSHDSACASA-N 1 2 330.284 3.969 20 0 EHADLO C[NH+](C)c1ccc(NCc2nc3ccccn3c2Br)cc1 ZINC000809598274 1135859907 /nfs/dbraw/zinc/85/99/07/1135859907.db2.gz HFLZQCIETODGIY-UHFFFAOYSA-N 1 2 345.244 3.775 20 0 EHADLO OC1(c2ccc(F)cc2)C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000775933255 1135878793 /nfs/dbraw/zinc/87/87/93/1135878793.db2.gz ISEHXLQYPXLZLZ-UHFFFAOYSA-N 1 2 325.305 3.548 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@H](C)c3nnc4ccccn43)s2)o1 ZINC001199101086 1135881265 /nfs/dbraw/zinc/88/12/65/1135881265.db2.gz NBDUWWLTMNVJKL-GFCCVEGCSA-N 1 2 339.424 3.605 20 0 EHADLO CC[C@@H](CNCc1ccc(SC)o1)[N@@H+]1CCc2ccccc2C1 ZINC001199227800 1135888689 /nfs/dbraw/zinc/88/86/89/1135888689.db2.gz MYNNFNWUMMZYGG-KRWDZBQOSA-N 1 2 330.497 3.928 20 0 EHADLO CC[C@@H](CNCc1ccc(SC)o1)[N@H+]1CCc2ccccc2C1 ZINC001199227800 1135888693 /nfs/dbraw/zinc/88/86/93/1135888693.db2.gz MYNNFNWUMMZYGG-KRWDZBQOSA-N 1 2 330.497 3.928 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCCc2occc2C1 ZINC000809792156 1135893159 /nfs/dbraw/zinc/89/31/59/1135893159.db2.gz KLIMNWCBTYORRE-UHFFFAOYSA-N 1 2 342.830 3.771 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCCc2occc2C1 ZINC000809792156 1135893161 /nfs/dbraw/zinc/89/31/61/1135893161.db2.gz KLIMNWCBTYORRE-UHFFFAOYSA-N 1 2 342.830 3.771 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1[C@H]1CCCO1 ZINC000810029271 1135915015 /nfs/dbraw/zinc/91/50/15/1135915015.db2.gz DDLOQSVMQMHAMY-QUCCMNQESA-N 1 2 338.451 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1[C@H]1CCCO1 ZINC000810029271 1135915016 /nfs/dbraw/zinc/91/50/16/1135915016.db2.gz DDLOQSVMQMHAMY-QUCCMNQESA-N 1 2 338.451 3.668 20 0 EHADLO COc1ccccc1CN(Cc1ccc(-n2cc[nH+]c2)cc1C)OC ZINC000810106371 1135921956 /nfs/dbraw/zinc/92/19/56/1135921956.db2.gz RGNQJPIXGIKLBH-UHFFFAOYSA-N 1 2 337.423 3.753 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)NCC1CCCCC1 ZINC001199925029 1135938533 /nfs/dbraw/zinc/93/85/33/1135938533.db2.gz NTIQHTARFGGSJO-UHFFFAOYSA-N 1 2 342.512 3.759 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1nccc2ccccc21 ZINC000810226570 1135941109 /nfs/dbraw/zinc/94/11/09/1135941109.db2.gz GKGLBBUPIQZIPY-HNNXBMFYSA-N 1 2 329.407 3.666 20 0 EHADLO C[C@@H](COCc1ccccc1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776101175 1135955927 /nfs/dbraw/zinc/95/59/27/1135955927.db2.gz AVURDFPXHWXSRA-INIZCTEOSA-N 1 2 336.391 3.634 20 0 EHADLO CC(C)C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378831 1135960568 /nfs/dbraw/zinc/96/05/68/1135960568.db2.gz IFYYGVGXRAPKNV-YUELXQCFSA-N 1 2 348.384 3.769 20 0 EHADLO CC(C)C[C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378831 1135960570 /nfs/dbraw/zinc/96/05/70/1135960570.db2.gz IFYYGVGXRAPKNV-YUELXQCFSA-N 1 2 348.384 3.769 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000810550970 1135971513 /nfs/dbraw/zinc/97/15/13/1135971513.db2.gz KACHFXCXYDKBQG-QEJZJMRPSA-N 1 2 346.368 3.571 20 0 EHADLO CCN(C(=O)C(F)C(F)(F)F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000810550970 1135971514 /nfs/dbraw/zinc/97/15/14/1135971514.db2.gz KACHFXCXYDKBQG-QEJZJMRPSA-N 1 2 346.368 3.571 20 0 EHADLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(F)c1 ZINC000810553750 1135971829 /nfs/dbraw/zinc/97/18/29/1135971829.db2.gz LTPNAXVGPQNVJT-OAHLLOKOSA-N 1 2 338.382 3.917 20 0 EHADLO Cc1cc(C)cc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001201206892 1135996487 /nfs/dbraw/zinc/99/64/87/1135996487.db2.gz ZIGNDLNIAIIARQ-GOSISDBHSA-N 1 2 341.480 3.939 20 0 EHADLO C[C@@H]1CC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000810693245 1135997753 /nfs/dbraw/zinc/99/77/53/1135997753.db2.gz WBWMCGGNGJBJKM-MDZRGWNJSA-N 1 2 326.440 3.842 20 0 EHADLO CCc1ncc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC001201415229 1136017476 /nfs/dbraw/zinc/01/74/76/1136017476.db2.gz BASLBQWUPILQND-LJQANCHMSA-N 1 2 338.842 3.967 20 0 EHADLO O=c1cc(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(C2CC2)[nH]1 ZINC001201470191 1136025904 /nfs/dbraw/zinc/02/59/04/1136025904.db2.gz MCLHHZXLOKEUBS-MSOLQXFVSA-N 1 2 348.450 3.792 20 0 EHADLO O=c1cc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(C2CC2)[nH]1 ZINC001201470191 1136025908 /nfs/dbraw/zinc/02/59/08/1136025908.db2.gz MCLHHZXLOKEUBS-MSOLQXFVSA-N 1 2 348.450 3.792 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3cccc(C)c3C)[nH+]c12 ZINC000747659342 1136027253 /nfs/dbraw/zinc/02/72/53/1136027253.db2.gz QTHKMUDFTGFDBV-UHFFFAOYSA-N 1 2 338.480 3.789 20 0 EHADLO O=C(Oc1ccc2c(c1)CCCO2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000810993455 1136035328 /nfs/dbraw/zinc/03/53/28/1136035328.db2.gz KHPNOZAJIOGXDY-IBGZPJMESA-N 1 2 337.419 3.582 20 0 EHADLO O=C(Oc1ccc2c(c1)CCCO2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000810993455 1136035333 /nfs/dbraw/zinc/03/53/33/1136035333.db2.gz KHPNOZAJIOGXDY-IBGZPJMESA-N 1 2 337.419 3.582 20 0 EHADLO COC[C@@H]([NH2+]Cc1snc(OC)c1Cl)c1ccc(F)c(F)c1 ZINC001201769507 1136061245 /nfs/dbraw/zinc/06/12/45/1136061245.db2.gz IIINDHITMAALNV-LLVKDONJSA-N 1 2 348.802 3.561 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2csc(Br)c2)[nH]1 ZINC001201850504 1136070319 /nfs/dbraw/zinc/07/03/19/1136070319.db2.gz FYSBRAGKNWOIHH-MRVPVSSYSA-N 1 2 329.267 3.603 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccccc1 ZINC001201945644 1136076931 /nfs/dbraw/zinc/07/69/31/1136076931.db2.gz QIKCEKNHUDIRMJ-OAHLLOKOSA-N 1 2 327.403 3.564 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1ccccc1 ZINC001201945644 1136076935 /nfs/dbraw/zinc/07/69/35/1136076935.db2.gz QIKCEKNHUDIRMJ-OAHLLOKOSA-N 1 2 327.403 3.564 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCc2cc(F)ccc21 ZINC001132815042 1136087963 /nfs/dbraw/zinc/08/79/63/1136087963.db2.gz GINVGPWTKUDBIG-VQTJNVASSA-N 1 2 349.409 3.610 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1cccc(F)c1 ZINC001202220316 1136112607 /nfs/dbraw/zinc/11/26/07/1136112607.db2.gz ZHMRXBAZNKSRDW-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)Nc1cccc(F)c1 ZINC001202220316 1136112608 /nfs/dbraw/zinc/11/26/08/1136112608.db2.gz ZHMRXBAZNKSRDW-CQSZACIVSA-N 1 2 345.393 3.703 20 0 EHADLO Cc1cc(NC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)c(C)c[nH+]1 ZINC001202244500 1136119446 /nfs/dbraw/zinc/11/94/46/1136119446.db2.gz HVCHFJWWTFCXMR-UHFFFAOYSA-N 1 2 341.430 3.891 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000811772732 1136133376 /nfs/dbraw/zinc/13/33/76/1136133376.db2.gz OIPIMZPMBDFRQE-UHFFFAOYSA-N 1 2 325.334 3.940 20 0 EHADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000811772732 1136133378 /nfs/dbraw/zinc/13/33/78/1136133378.db2.gz OIPIMZPMBDFRQE-UHFFFAOYSA-N 1 2 325.334 3.940 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2c(c1)CCC2 ZINC001133032577 1136146569 /nfs/dbraw/zinc/14/65/69/1136146569.db2.gz FKZLPGUKCIWHTP-HXUWFJFHSA-N 1 2 331.419 3.543 20 0 EHADLO O=C(/C=C/c1cccs1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107181183 1136161633 /nfs/dbraw/zinc/16/16/33/1136161633.db2.gz SHTGRQXUULBGHH-BQYQJAHWSA-N 1 2 341.480 3.853 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C ZINC001170669306 1136186827 /nfs/dbraw/zinc/18/68/27/1136186827.db2.gz JWDQPMXEZKOHMM-BBRMVZONSA-N 1 2 325.399 3.532 20 0 EHADLO COCCOc1c(Cl)cc(NCc2[nH]c(C)c(C)[nH+]2)cc1Cl ZINC000850236914 1136225484 /nfs/dbraw/zinc/22/54/84/1136225484.db2.gz FNFMPZDMJYFOGR-UHFFFAOYSA-N 1 2 344.242 3.971 20 0 EHADLO CC(C)(C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C1CC1 ZINC001133453534 1136252021 /nfs/dbraw/zinc/25/20/21/1136252021.db2.gz KDZMWYNQPTVXTP-UHFFFAOYSA-N 1 2 337.467 3.641 20 0 EHADLO Cc1cccc(-c2nc(CC(=O)Nc3c(C)c[nH+]cc3C)cs2)c1 ZINC001133453378 1136252104 /nfs/dbraw/zinc/25/21/04/1136252104.db2.gz RASZYDVKPFBXFP-UHFFFAOYSA-N 1 2 337.448 3.733 20 0 EHADLO Cc1cc(Br)c(F)c(C(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001133456669 1136253582 /nfs/dbraw/zinc/25/35/82/1136253582.db2.gz WPOZTNHIIHXTIP-UHFFFAOYSA-N 1 2 337.192 3.583 20 0 EHADLO C[C@@H]([NH2+][C@H]1CSCc2ccc(Br)cc21)c1ncc[nH]1 ZINC000850530488 1136279894 /nfs/dbraw/zinc/27/98/94/1136279894.db2.gz ZDJYRRGOXASYOI-RNCFNFMXSA-N 1 2 338.274 3.811 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(CSC)c2)c1C ZINC000109389675 1136283445 /nfs/dbraw/zinc/28/34/45/1136283445.db2.gz VCLSCIHFSHZUHL-UHFFFAOYSA-N 1 2 345.468 3.892 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC001133682060 1136311903 /nfs/dbraw/zinc/31/19/03/1136311903.db2.gz IMVPBTSWDZEJAT-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000850970266 1136323635 /nfs/dbraw/zinc/32/36/35/1136323635.db2.gz VNMTYKOMOOFGHV-ROUUACIJSA-N 1 2 326.440 3.555 20 0 EHADLO CC(C)Cc1coc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC001133922868 1136362382 /nfs/dbraw/zinc/36/23/82/1136362382.db2.gz UCHOUGZJWXJEHG-OAHLLOKOSA-N 1 2 335.835 3.768 20 0 EHADLO CCN(C)c1ccccc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000813861693 1136367563 /nfs/dbraw/zinc/36/75/63/1136367563.db2.gz WVCCIRVZUFWXAR-GOSISDBHSA-N 1 2 327.476 3.672 20 0 EHADLO O=C(CCCc1ccccc1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398711 1136376158 /nfs/dbraw/zinc/37/61/58/1136376158.db2.gz ZSZJDMFNIUVLNL-UHFFFAOYSA-N 1 2 338.451 3.864 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)OCC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000851398860 1136376231 /nfs/dbraw/zinc/37/62/31/1136376231.db2.gz GQZNXGZAKVBLBN-OAHLLOKOSA-N 1 2 328.412 3.546 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3CC4(CCC4)C3)CC2)cs1 ZINC000851478788 1136384133 /nfs/dbraw/zinc/38/41/33/1136384133.db2.gz CVCHSSCOSUYZNL-UHFFFAOYSA-N 1 2 348.512 3.787 20 0 EHADLO CCCCCOc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814179476 1136411937 /nfs/dbraw/zinc/41/19/37/1136411937.db2.gz DANCRSZPGXRIQM-MRXNPFEDSA-N 1 2 349.471 3.790 20 0 EHADLO CCCCCOc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814179476 1136411940 /nfs/dbraw/zinc/41/19/40/1136411940.db2.gz DANCRSZPGXRIQM-MRXNPFEDSA-N 1 2 349.471 3.790 20 0 EHADLO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]Cc2cnon2)c1 ZINC000851902072 1136417628 /nfs/dbraw/zinc/41/76/28/1136417628.db2.gz GRIHDMHLAAMPKL-HXUWFJFHSA-N 1 2 337.423 3.769 20 0 EHADLO O=C1CC[C@@H](C[NH2+]C2(c3noc(C4CCCC4)n3)CCCCCC2)O1 ZINC000851936377 1136421203 /nfs/dbraw/zinc/42/12/03/1136421203.db2.gz ZHWPJURDXSGQAG-HNNXBMFYSA-N 1 2 347.459 3.572 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)n1C ZINC000814225510 1136425655 /nfs/dbraw/zinc/42/56/55/1136425655.db2.gz IOQJRWBVILMZPZ-MRXNPFEDSA-N 1 2 330.501 3.912 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)n1C ZINC000814225510 1136425657 /nfs/dbraw/zinc/42/56/57/1136425657.db2.gz IOQJRWBVILMZPZ-MRXNPFEDSA-N 1 2 330.501 3.912 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)n1C1CC1 ZINC000814225116 1136425783 /nfs/dbraw/zinc/42/57/83/1136425783.db2.gz DKCCRDLYSMIDCP-MRXNPFEDSA-N 1 2 328.485 3.895 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(=S)n1C1CC1 ZINC000814225116 1136425784 /nfs/dbraw/zinc/42/57/84/1136425784.db2.gz DKCCRDLYSMIDCP-MRXNPFEDSA-N 1 2 328.485 3.895 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC=C(Cl)Cl ZINC000851997149 1136425932 /nfs/dbraw/zinc/42/59/32/1136425932.db2.gz FPKWBWPSALXWSF-LLVKDONJSA-N 1 2 329.227 3.955 20 0 EHADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC=C(Cl)Cl ZINC000851997149 1136425934 /nfs/dbraw/zinc/42/59/34/1136425934.db2.gz FPKWBWPSALXWSF-LLVKDONJSA-N 1 2 329.227 3.955 20 0 EHADLO CCOC(C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)OCC ZINC000852127448 1136435056 /nfs/dbraw/zinc/43/50/56/1136435056.db2.gz SILRBTHZUAZWQP-LLVKDONJSA-N 1 2 325.840 3.608 20 0 EHADLO CCOC(C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1)OCC ZINC000852127448 1136435057 /nfs/dbraw/zinc/43/50/57/1136435057.db2.gz SILRBTHZUAZWQP-LLVKDONJSA-N 1 2 325.840 3.608 20 0 EHADLO COC(=O)c1[nH+]ccc(N[C@@H](C)c2ccccc2C(F)(F)F)c1C ZINC001170742908 1136442354 /nfs/dbraw/zinc/44/23/54/1136442354.db2.gz MKBWWQVWHOUFTB-NSHDSACASA-N 1 2 338.329 3.790 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2Cl)cc1F ZINC000852520344 1136462311 /nfs/dbraw/zinc/46/23/11/1136462311.db2.gz CURKHHNLRDGWKC-OAHLLOKOSA-N 1 2 337.826 3.867 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(C)nn(C)c2Cl)cc1F ZINC000852520344 1136462312 /nfs/dbraw/zinc/46/23/12/1136462312.db2.gz CURKHHNLRDGWKC-OAHLLOKOSA-N 1 2 337.826 3.867 20 0 EHADLO CN(C)c1cc(C[N@@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)ccn1 ZINC000852551054 1136466181 /nfs/dbraw/zinc/46/61/81/1136466181.db2.gz OKZLYLBFNSMMAF-GOSISDBHSA-N 1 2 343.446 3.639 20 0 EHADLO CN(C)c1cc(C[N@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)ccn1 ZINC000852551054 1136466184 /nfs/dbraw/zinc/46/61/84/1136466184.db2.gz OKZLYLBFNSMMAF-GOSISDBHSA-N 1 2 343.446 3.639 20 0 EHADLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000338950897 1136475684 /nfs/dbraw/zinc/47/56/84/1136475684.db2.gz GLOAGJJMHYEZLH-GFCCVEGCSA-N 1 2 336.234 3.760 20 0 EHADLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000338950897 1136475685 /nfs/dbraw/zinc/47/56/85/1136475685.db2.gz GLOAGJJMHYEZLH-GFCCVEGCSA-N 1 2 336.234 3.760 20 0 EHADLO CCOC(C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1)OCC ZINC000852689352 1136477731 /nfs/dbraw/zinc/47/77/31/1136477731.db2.gz YHWMQMNEPFYAFX-CQSZACIVSA-N 1 2 328.250 3.595 20 0 EHADLO CCOC(C[N@H+]1CC[C@@H]1c1ccc(Br)cc1)OCC ZINC000852689352 1136477734 /nfs/dbraw/zinc/47/77/34/1136477734.db2.gz YHWMQMNEPFYAFX-CQSZACIVSA-N 1 2 328.250 3.595 20 0 EHADLO O=C1OCCN1C1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000852720423 1136479731 /nfs/dbraw/zinc/47/97/31/1136479731.db2.gz FQIVMWYXFLLYJA-UHFFFAOYSA-N 1 2 349.500 3.607 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)CC1=CCSC1 ZINC000852747365 1136482983 /nfs/dbraw/zinc/48/29/83/1136482983.db2.gz GESVAPYBIJCHOE-UHFFFAOYSA-N 1 2 344.452 3.545 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)CC1=CCSC1 ZINC000852747365 1136482985 /nfs/dbraw/zinc/48/29/85/1136482985.db2.gz GESVAPYBIJCHOE-UHFFFAOYSA-N 1 2 344.452 3.545 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cncc1Cl ZINC000814641390 1136487781 /nfs/dbraw/zinc/48/77/81/1136487781.db2.gz FXDPBZDGLCMTPC-UHFFFAOYSA-N 1 2 347.205 3.504 20 0 EHADLO Cc1nn(C/C=C\c2ccc(Cl)cc2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852963039 1136494174 /nfs/dbraw/zinc/49/41/74/1136494174.db2.gz NQOZGFVACGMXPU-PYTPGESOSA-N 1 2 345.874 3.870 20 0 EHADLO Cc1nn(C/C=C\c2ccc(Cl)cc2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852963039 1136494176 /nfs/dbraw/zinc/49/41/76/1136494176.db2.gz NQOZGFVACGMXPU-PYTPGESOSA-N 1 2 345.874 3.870 20 0 EHADLO CSc1cc(C)c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000853134235 1136512643 /nfs/dbraw/zinc/51/26/43/1136512643.db2.gz SZUIQOYCPSQCKN-UHFFFAOYSA-N 1 2 346.452 3.778 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111173694 1136518828 /nfs/dbraw/zinc/51/88/28/1136518828.db2.gz NLLAGTMAPAIMKA-UHFFFAOYSA-N 1 2 337.467 3.914 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000111173694 1136518831 /nfs/dbraw/zinc/51/88/31/1136518831.db2.gz NLLAGTMAPAIMKA-UHFFFAOYSA-N 1 2 337.467 3.914 20 0 EHADLO CCC1(CC)CCC[N@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000853563232 1136544894 /nfs/dbraw/zinc/54/48/94/1136544894.db2.gz OSOSJBZQZDLHNH-UHFFFAOYSA-N 1 2 325.456 3.770 20 0 EHADLO CCC1(CC)CCC[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000853563232 1136544897 /nfs/dbraw/zinc/54/48/97/1136544897.db2.gz OSOSJBZQZDLHNH-UHFFFAOYSA-N 1 2 325.456 3.770 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000853570879 1136545484 /nfs/dbraw/zinc/54/54/84/1136545484.db2.gz IOFFJMUMONQAAU-KBXCAEBGSA-N 1 2 348.874 3.534 20 0 EHADLO O=C1c2cccc(Cl)c2CN1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000853570879 1136545487 /nfs/dbraw/zinc/54/54/87/1136545487.db2.gz IOFFJMUMONQAAU-KBXCAEBGSA-N 1 2 348.874 3.534 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853590056 1136546939 /nfs/dbraw/zinc/54/69/39/1136546939.db2.gz QKHOXVNNZATQHW-OAHLLOKOSA-N 1 2 330.457 3.737 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853590056 1136546942 /nfs/dbraw/zinc/54/69/42/1136546942.db2.gz QKHOXVNNZATQHW-OAHLLOKOSA-N 1 2 330.457 3.737 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@H+](CCC1CC1)CC1CC1 ZINC000853606534 1136548090 /nfs/dbraw/zinc/54/80/90/1136548090.db2.gz NKWUGRCCJNPEEL-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@@H+](CCC1CC1)CC1CC1 ZINC000853606534 1136548093 /nfs/dbraw/zinc/54/80/93/1136548093.db2.gz NKWUGRCCJNPEEL-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000853626768 1136550163 /nfs/dbraw/zinc/55/01/63/1136550163.db2.gz GUKYBJZHZQKOIZ-AWEZNQCLSA-N 1 2 346.500 3.868 20 0 EHADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000853626768 1136550170 /nfs/dbraw/zinc/55/01/70/1136550170.db2.gz GUKYBJZHZQKOIZ-AWEZNQCLSA-N 1 2 346.500 3.868 20 0 EHADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000815120627 1136552470 /nfs/dbraw/zinc/55/24/70/1136552470.db2.gz LCSYCFSWQLYBMJ-SFHVURJKSA-N 1 2 329.440 3.585 20 0 EHADLO CN(C)c1ccc(C2(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2)cc1 ZINC000815166604 1136565460 /nfs/dbraw/zinc/56/54/60/1136565460.db2.gz POLMIKPSPCTZLR-UHFFFAOYSA-N 1 2 346.434 3.813 20 0 EHADLO Cc1cccn2cc(Cc3noc(C4CC5(CC5(F)F)C4)n3)[nH+]c12 ZINC000854027992 1136581039 /nfs/dbraw/zinc/58/10/39/1136581039.db2.gz GABZZBLKIKPJKA-UHFFFAOYSA-N 1 2 330.338 3.519 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000854042562 1136583076 /nfs/dbraw/zinc/58/30/76/1136583076.db2.gz PGVVTCDQEIKMMV-UXHICEINSA-N 1 2 349.478 3.656 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@H]1c1ccncc1 ZINC000854042562 1136583079 /nfs/dbraw/zinc/58/30/79/1136583079.db2.gz PGVVTCDQEIKMMV-UXHICEINSA-N 1 2 349.478 3.656 20 0 EHADLO O=C(NC1CCCCCCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001135547096 1136708222 /nfs/dbraw/zinc/70/82/22/1136708222.db2.gz PJYFETNALMHXJJ-UHFFFAOYSA-N 1 2 340.471 3.838 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000776823329 1136708698 /nfs/dbraw/zinc/70/86/98/1136708698.db2.gz AVOKLCAHLIUTMQ-RBUKOAKNSA-N 1 2 332.488 3.653 20 0 EHADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000776823329 1136708702 /nfs/dbraw/zinc/70/87/02/1136708702.db2.gz AVOKLCAHLIUTMQ-RBUKOAKNSA-N 1 2 332.488 3.653 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@@H]3CCOC[C@H]3C)ccc21 ZINC001170829276 1136729010 /nfs/dbraw/zinc/72/90/10/1136729010.db2.gz CRTGHSREDBFZLX-GDBMZVCRSA-N 1 2 337.423 3.871 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2cc(OC(F)F)ccc21 ZINC000776840889 1136740982 /nfs/dbraw/zinc/74/09/82/1136740982.db2.gz NPRFGPQEXYURKJ-UHFFFAOYSA-N 1 2 343.333 3.529 20 0 EHADLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000816635736 1136743200 /nfs/dbraw/zinc/74/32/00/1136743200.db2.gz UWAJOXSDVJQMSJ-LJQANCHMSA-N 1 2 343.398 3.812 20 0 EHADLO Cc1ccc(-c2nnc(NC(=O)c3cccc4[nH+]ccn43)s2)c(C)c1 ZINC000776852935 1136747704 /nfs/dbraw/zinc/74/77/04/1136747704.db2.gz UAJLFPPGGZRFLZ-UHFFFAOYSA-N 1 2 349.419 3.722 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@](F)(c4ccccc4F)C3)cnc2n1 ZINC000338996932 1136791899 /nfs/dbraw/zinc/79/18/99/1136791899.db2.gz JLBYUMHHFZIWQT-LJQANCHMSA-N 1 2 342.393 3.556 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CC[C@](F)(c4ccccc4F)C3)cnc2n1 ZINC000338996932 1136791901 /nfs/dbraw/zinc/79/19/01/1136791901.db2.gz JLBYUMHHFZIWQT-LJQANCHMSA-N 1 2 342.393 3.556 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370418 1136801214 /nfs/dbraw/zinc/80/12/14/1136801214.db2.gz KLVMCKUPPAEIAS-QGZVFWFLSA-N 1 2 341.430 3.519 20 0 EHADLO O=c1ccc(-c2ccc(F)cc2)nn1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370418 1136801217 /nfs/dbraw/zinc/80/12/17/1136801217.db2.gz KLVMCKUPPAEIAS-QGZVFWFLSA-N 1 2 341.430 3.519 20 0 EHADLO O=Cc1cccc(OCc2cccc(C[NH+]3CCOCC3)c2)c1Cl ZINC000817379980 1136801327 /nfs/dbraw/zinc/80/13/27/1136801327.db2.gz IOWWTCKGZQKWON-UHFFFAOYSA-N 1 2 345.826 3.564 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)nn1C ZINC000817406539 1136804979 /nfs/dbraw/zinc/80/49/79/1136804979.db2.gz NJPGLZYHKLDMDI-JSGCOSHPSA-N 1 2 339.892 3.532 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)nn1C ZINC000817406539 1136804982 /nfs/dbraw/zinc/80/49/82/1136804982.db2.gz NJPGLZYHKLDMDI-JSGCOSHPSA-N 1 2 339.892 3.532 20 0 EHADLO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC001135920947 1136808277 /nfs/dbraw/zinc/80/82/77/1136808277.db2.gz BVKPBFZTHHPNMD-HNNXBMFYSA-N 1 2 333.391 3.877 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3Cl)CC2)c(C)c1 ZINC000857017942 1136832919 /nfs/dbraw/zinc/83/29/19/1136832919.db2.gz HZHVROHGSHIKJO-UHFFFAOYSA-N 1 2 345.874 3.785 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000857026358 1136833897 /nfs/dbraw/zinc/83/38/97/1136833897.db2.gz RTKROVCQESYJIF-MRXNPFEDSA-N 1 2 347.894 3.936 20 0 EHADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC000857026358 1136833900 /nfs/dbraw/zinc/83/39/00/1136833900.db2.gz RTKROVCQESYJIF-MRXNPFEDSA-N 1 2 347.894 3.936 20 0 EHADLO CSc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135999285 1136836930 /nfs/dbraw/zinc/83/69/30/1136836930.db2.gz GSPQRXJABHOIMQ-UHFFFAOYSA-N 1 2 325.393 3.552 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000857192402 1136851908 /nfs/dbraw/zinc/85/19/08/1136851908.db2.gz AUHPDSANAYQCAO-GFCCVEGCSA-N 1 2 337.345 3.517 20 0 EHADLO C[C@H]1SCCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1c1ccccc1 ZINC000776934768 1136863987 /nfs/dbraw/zinc/86/39/87/1136863987.db2.gz JBBLRAWIYRMVKK-RDTXWAMCSA-N 1 2 337.448 3.653 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)n1 ZINC000818345655 1136873680 /nfs/dbraw/zinc/87/36/80/1136873680.db2.gz WWPXOWCEZZQLIC-KRWDZBQOSA-N 1 2 328.460 3.733 20 0 EHADLO O[C@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137656753 1136887265 /nfs/dbraw/zinc/88/72/65/1136887265.db2.gz WFOSLYBSFATDTP-CYBMUJFWSA-N 1 2 325.733 3.758 20 0 EHADLO O[C@]1(C(F)(F)F)CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137656753 1136887269 /nfs/dbraw/zinc/88/72/69/1136887269.db2.gz WFOSLYBSFATDTP-CYBMUJFWSA-N 1 2 325.733 3.758 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2c(OC(F)F)cccc21 ZINC000819103958 1136908952 /nfs/dbraw/zinc/90/89/52/1136908952.db2.gz DGFUOZAAGFNHJA-UHFFFAOYSA-N 1 2 343.333 3.529 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857983460 1136927410 /nfs/dbraw/zinc/92/74/10/1136927410.db2.gz ACJOZBLURODABN-SMDDNHRTSA-N 1 2 337.345 3.657 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1[C@H](C)c1ccccc1 ZINC000857984156 1136927495 /nfs/dbraw/zinc/92/74/95/1136927495.db2.gz GTWLQLWHXAMBFC-BEFAXECRSA-N 1 2 348.450 3.786 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2cccc(Cl)c2)CCCCC1 ZINC000857990145 1136927654 /nfs/dbraw/zinc/92/76/54/1136927654.db2.gz RZJVKCYNDGUYTD-MRXNPFEDSA-N 1 2 343.858 4.000 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCNc4[nH+]cc(C)cc43)c2c1 ZINC000857997386 1136928300 /nfs/dbraw/zinc/92/83/00/1136928300.db2.gz MIWNPNXDQFGDKB-UHFFFAOYSA-N 1 2 334.423 3.571 20 0 EHADLO Fc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)cn1 ZINC000858011039 1136929629 /nfs/dbraw/zinc/92/96/29/1136929629.db2.gz POSCSCZPJFZLPC-INIZCTEOSA-N 1 2 345.393 3.676 20 0 EHADLO Fc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)cn1 ZINC000858011039 1136929632 /nfs/dbraw/zinc/92/96/32/1136929632.db2.gz POSCSCZPJFZLPC-INIZCTEOSA-N 1 2 345.393 3.676 20 0 EHADLO CN(C)[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1c[nH+]cn1C ZINC001136236446 1136952207 /nfs/dbraw/zinc/95/22/07/1136952207.db2.gz WQPKJRGNTGWDAB-LJQANCHMSA-N 1 2 348.406 3.561 20 0 EHADLO CCC(CC)(CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)SC ZINC000819887133 1136965000 /nfs/dbraw/zinc/96/50/00/1136965000.db2.gz SZXSGPPFJLOVCI-INIZCTEOSA-N 1 2 345.512 3.970 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000858597928 1136981648 /nfs/dbraw/zinc/98/16/48/1136981648.db2.gz AGFXWQXDYVQCGJ-UHFFFAOYSA-N 1 2 343.427 3.727 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2CCc3ccccc3CC2)c1C ZINC000858925878 1136997194 /nfs/dbraw/zinc/99/71/94/1136997194.db2.gz AJPFLXALELDCCQ-UHFFFAOYSA-N 1 2 338.451 3.518 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000820680200 1137000690 /nfs/dbraw/zinc/00/06/90/1137000690.db2.gz FSGBOKUGWAIOLG-HXUWFJFHSA-N 1 2 341.430 3.623 20 0 EHADLO CC1(C)C[C@]1(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000820680200 1137000692 /nfs/dbraw/zinc/00/06/92/1137000692.db2.gz FSGBOKUGWAIOLG-HXUWFJFHSA-N 1 2 341.430 3.623 20 0 EHADLO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@H](c2ccccc2)C(F)F)C1 ZINC000859314549 1137011473 /nfs/dbraw/zinc/01/14/73/1137011473.db2.gz WBTPWGKADHIXMU-OAHLLOKOSA-N 1 2 340.414 3.839 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(-c2ccccc2)on1 ZINC000859531070 1137018567 /nfs/dbraw/zinc/01/85/67/1137018567.db2.gz AAIUZIAYOXKZQG-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(-c2ccccc2)on1 ZINC000859531070 1137018569 /nfs/dbraw/zinc/01/85/69/1137018569.db2.gz AAIUZIAYOXKZQG-UHFFFAOYSA-N 1 2 345.443 3.688 20 0 EHADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001170959740 1137019979 /nfs/dbraw/zinc/01/99/79/1137019979.db2.gz XPVVBCQSKOGAMV-ONGXEEELSA-N 1 2 341.333 3.725 20 0 EHADLO CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367723 1137024831 /nfs/dbraw/zinc/02/48/31/1137024831.db2.gz FKFINSQXECWZHH-WOSRLPQWSA-N 1 2 330.255 3.934 20 0 EHADLO CO[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000821367723 1137024833 /nfs/dbraw/zinc/02/48/33/1137024833.db2.gz FKFINSQXECWZHH-WOSRLPQWSA-N 1 2 330.255 3.934 20 0 EHADLO CNc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(Cl)c1 ZINC001136453885 1137030103 /nfs/dbraw/zinc/03/01/03/1137030103.db2.gz ANXGTFVXWRRGIV-UHFFFAOYSA-N 1 2 347.846 3.674 20 0 EHADLO C[C@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873440 1137041296 /nfs/dbraw/zinc/04/12/96/1137041296.db2.gz YVCNDUKCGAMDLG-VBKZILBWSA-N 1 2 338.426 3.765 20 0 EHADLO C[C@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)Cc2ccccc21 ZINC000821873440 1137041298 /nfs/dbraw/zinc/04/12/98/1137041298.db2.gz YVCNDUKCGAMDLG-VBKZILBWSA-N 1 2 338.426 3.765 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@@H]1c1ccc(Br)cc1 ZINC000860047500 1137041644 /nfs/dbraw/zinc/04/16/44/1137041644.db2.gz CLBBSPGYPGHIKL-HUUCEWRRSA-N 1 2 338.270 3.819 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1c1ccc(Br)cc1 ZINC000860047500 1137041646 /nfs/dbraw/zinc/04/16/46/1137041646.db2.gz CLBBSPGYPGHIKL-HUUCEWRRSA-N 1 2 338.270 3.819 20 0 EHADLO CCc1nc2ccccc2c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC001136581021 1137056620 /nfs/dbraw/zinc/05/66/20/1137056620.db2.gz IWVXDECVKVOZAB-OAHLLOKOSA-N 1 2 348.450 3.849 20 0 EHADLO O=C(/C=C/C1CCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000117629980 1137068306 /nfs/dbraw/zinc/06/83/06/1137068306.db2.gz XEIQDCXXABIXOG-VQHVLOKHSA-N 1 2 327.403 3.764 20 0 EHADLO Cc1cc(NC(=O)CSCc2cscn2)ccc1-n1cc[nH+]c1 ZINC001136624893 1137072800 /nfs/dbraw/zinc/07/28/00/1137072800.db2.gz PCEHBTIJQHXKGM-UHFFFAOYSA-N 1 2 344.465 3.509 20 0 EHADLO COC[C@H]([NH3+])c1nc(CC2(SCc3ccccc3)CCCC2)no1 ZINC000823002539 1137082960 /nfs/dbraw/zinc/08/29/60/1137082960.db2.gz ZIJVWADYGYAZIE-HNNXBMFYSA-N 1 2 347.484 3.505 20 0 EHADLO c1nc(-c2ccccc2)nn1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000117862764 1137085208 /nfs/dbraw/zinc/08/52/08/1137085208.db2.gz DQUSYZHMZJFIKF-FQEVSTJZSA-N 1 2 348.450 3.584 20 0 EHADLO c1nc(-c2ccccc2)nn1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000117862764 1137085209 /nfs/dbraw/zinc/08/52/09/1137085209.db2.gz DQUSYZHMZJFIKF-FQEVSTJZSA-N 1 2 348.450 3.584 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005368 1137086656 /nfs/dbraw/zinc/08/66/56/1137086656.db2.gz ORAWXNNIALYCKC-RHSMWYFYSA-N 1 2 334.435 3.582 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005368 1137086657 /nfs/dbraw/zinc/08/66/57/1137086657.db2.gz ORAWXNNIALYCKC-RHSMWYFYSA-N 1 2 334.435 3.582 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCC[C@](O)(c3ccccc3)C2)c(C)[nH+]1 ZINC000861131734 1137094428 /nfs/dbraw/zinc/09/44/28/1137094428.db2.gz GHSVCXOFQCJINE-HXUWFJFHSA-N 1 2 339.439 3.522 20 0 EHADLO Fc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001137662591 1137096613 /nfs/dbraw/zinc/09/66/13/1137096613.db2.gz YUTSTHYEYGDILS-OAHLLOKOSA-N 1 2 332.797 3.785 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C(F)=C\C2CCCCC2)n1 ZINC000823381710 1137097212 /nfs/dbraw/zinc/09/72/12/1137097212.db2.gz AKFWKUQFVVEYHB-SRXBQZRASA-N 1 2 339.411 3.692 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C(F)=C/C2CCCCC2)n1 ZINC000823381711 1137097378 /nfs/dbraw/zinc/09/73/78/1137097378.db2.gz AKFWKUQFVVEYHB-SUIFULHWSA-N 1 2 339.411 3.692 20 0 EHADLO COc1cc(C)ccc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000823500922 1137102795 /nfs/dbraw/zinc/10/27/95/1137102795.db2.gz HTIBEARMBCWELI-UHFFFAOYSA-N 1 2 326.440 3.577 20 0 EHADLO O=C(/C=C/[C@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823769393 1137113076 /nfs/dbraw/zinc/11/30/76/1137113076.db2.gz ASZXWSCHSFKXTI-SIFUEBAJSA-N 1 2 337.423 3.560 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000118383658 1137113277 /nfs/dbraw/zinc/11/32/77/1137113277.db2.gz RIUOWLHUZYDUMM-OLZOCXBDSA-N 1 2 340.562 3.847 20 0 EHADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000118383658 1137113278 /nfs/dbraw/zinc/11/32/78/1137113278.db2.gz RIUOWLHUZYDUMM-OLZOCXBDSA-N 1 2 340.562 3.847 20 0 EHADLO Cc1ccc(C[N@H+](Cc2cn(C)nc2Br)C(C)C)s1 ZINC000862233215 1137133666 /nfs/dbraw/zinc/13/36/66/1137133666.db2.gz IEOLKUILGFCXMC-UHFFFAOYSA-N 1 2 342.306 3.963 20 0 EHADLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136863470 1137134200 /nfs/dbraw/zinc/13/42/00/1137134200.db2.gz CVDPISABXSLEHC-UHFFFAOYSA-N 1 2 347.890 3.902 20 0 EHADLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136863470 1137134201 /nfs/dbraw/zinc/13/42/01/1137134201.db2.gz CVDPISABXSLEHC-UHFFFAOYSA-N 1 2 347.890 3.902 20 0 EHADLO Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c(Br)n1 ZINC000862246062 1137134921 /nfs/dbraw/zinc/13/49/21/1137134921.db2.gz HTCIWYHMJKHHPU-CYBMUJFWSA-N 1 2 338.249 3.893 20 0 EHADLO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)c(Br)n1 ZINC000862246062 1137134923 /nfs/dbraw/zinc/13/49/23/1137134923.db2.gz HTCIWYHMJKHHPU-CYBMUJFWSA-N 1 2 338.249 3.893 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136865259 1137134963 /nfs/dbraw/zinc/13/49/63/1137134963.db2.gz WCOWPTKOGXVZNK-CYBMUJFWSA-N 1 2 333.863 3.558 20 0 EHADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136865259 1137134965 /nfs/dbraw/zinc/13/49/65/1137134965.db2.gz WCOWPTKOGXVZNK-CYBMUJFWSA-N 1 2 333.863 3.558 20 0 EHADLO Cc1c[nH]c(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000862350778 1137139442 /nfs/dbraw/zinc/13/94/42/1137139442.db2.gz AWSCVINWIHHJIF-UHFFFAOYSA-N 1 2 347.462 3.869 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2c1cccc2F ZINC001137052724 1137141024 /nfs/dbraw/zinc/14/10/24/1137141024.db2.gz KJBRRMBCNLTUJT-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2c1cccc2F ZINC001137052724 1137141026 /nfs/dbraw/zinc/14/10/26/1137141026.db2.gz KJBRRMBCNLTUJT-ZDUSSCGKSA-N 1 2 347.434 3.748 20 0 EHADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000824534296 1137141749 /nfs/dbraw/zinc/14/17/49/1137141749.db2.gz AKOXSIXOPNCRLG-NSHDSACASA-N 1 2 325.334 3.581 20 0 EHADLO CCc1ccccc1CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001136900576 1137143397 /nfs/dbraw/zinc/14/33/97/1137143397.db2.gz YFCNEUBFEKGHMR-UHFFFAOYSA-N 1 2 331.419 3.740 20 0 EHADLO Cc1ccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC000824672918 1137147715 /nfs/dbraw/zinc/14/77/15/1137147715.db2.gz KJFSEYOQFQFMDM-CQSZACIVSA-N 1 2 328.403 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)[C@@H](c2ccccc2)C1 ZINC001136932642 1137149314 /nfs/dbraw/zinc/14/93/14/1137149314.db2.gz PCAHVZHFXRBGGH-MAUKXSAKSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)[C@@H](c2ccccc2)C1 ZINC001136932642 1137149316 /nfs/dbraw/zinc/14/93/16/1137149316.db2.gz PCAHVZHFXRBGGH-MAUKXSAKSA-N 1 2 344.842 3.861 20 0 EHADLO CC(C)n1ncc2cc(C[NH2+][C@@H]3C[C@@H](C)n4ccnc43)c(Cl)nc21 ZINC000825016914 1137161933 /nfs/dbraw/zinc/16/19/33/1137161933.db2.gz JGIYDOHOLKFXDL-BXUZGUMPSA-N 1 2 344.850 3.658 20 0 EHADLO CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)n1cc[nH+]c1 ZINC000825015452 1137161950 /nfs/dbraw/zinc/16/19/50/1137161950.db2.gz PTJOTDHKPCQVJS-VNTMZGSJSA-N 1 2 337.467 3.732 20 0 EHADLO O=C1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@H]1F ZINC001171074443 1137167034 /nfs/dbraw/zinc/16/70/34/1137167034.db2.gz QPTOFTXAFMPXSA-SWLSCSKDSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[C@H]1F ZINC001171074443 1137167035 /nfs/dbraw/zinc/16/70/35/1137167035.db2.gz QPTOFTXAFMPXSA-SWLSCSKDSA-N 1 2 330.230 3.854 20 0 EHADLO FC(F)(F)c1nc(C2CC[NH+](Cc3cncc(Cl)c3)CC2)no1 ZINC001136995429 1137167391 /nfs/dbraw/zinc/16/73/91/1137167391.db2.gz KAXWAKLFNYFQRI-UHFFFAOYSA-N 1 2 346.740 3.516 20 0 EHADLO COCCCn1cnn(C[N@H+](C)C[C@H](C)C2CCCCC2)c1=S ZINC000863315119 1137180677 /nfs/dbraw/zinc/18/06/77/1137180677.db2.gz MFZMYPQFLGMCGD-HNNXBMFYSA-N 1 2 340.537 3.556 20 0 EHADLO COCCCn1cnn(C[N@@H+](C)C[C@H](C)C2CCCCC2)c1=S ZINC000863315119 1137180679 /nfs/dbraw/zinc/18/06/79/1137180679.db2.gz MFZMYPQFLGMCGD-HNNXBMFYSA-N 1 2 340.537 3.556 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339465 1137181504 /nfs/dbraw/zinc/18/15/04/1137181504.db2.gz FLLUYSPOTHEGKH-XVWMLYKFSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339465 1137181506 /nfs/dbraw/zinc/18/15/06/1137181506.db2.gz FLLUYSPOTHEGKH-XVWMLYKFSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C\C[C@H]1CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341077 1137181581 /nfs/dbraw/zinc/18/15/81/1137181581.db2.gz PFYJJLUDJSENEZ-XVWMLYKFSA-N 1 2 331.485 3.711 20 0 EHADLO C/C=C\C[C@H]1CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000863341077 1137181583 /nfs/dbraw/zinc/18/15/83/1137181583.db2.gz PFYJJLUDJSENEZ-XVWMLYKFSA-N 1 2 331.485 3.711 20 0 EHADLO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143629182 1137184157 /nfs/dbraw/zinc/18/41/57/1137184157.db2.gz WAXPBYFPJNWASR-UHFFFAOYSA-N 1 2 344.833 3.841 20 0 EHADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843848380 1137184307 /nfs/dbraw/zinc/18/43/07/1137184307.db2.gz GODMANFVPGWVMB-GJZGRUSLSA-N 1 2 342.817 3.621 20 0 EHADLO CC(C)[N@H+]1CC[C@H](NC(=O)C2(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843848380 1137184308 /nfs/dbraw/zinc/18/43/08/1137184308.db2.gz GODMANFVPGWVMB-GJZGRUSLSA-N 1 2 342.817 3.621 20 0 EHADLO Cc1cnc(C[NH+]2CCC(OC(C)C)CC2)cc1Br ZINC001143660983 1137187379 /nfs/dbraw/zinc/18/73/79/1137187379.db2.gz MNSIODLJVMEURY-UHFFFAOYSA-N 1 2 327.266 3.542 20 0 EHADLO Cc1cnc(C[N@H+](C)Cc2cccc3c2OCO3)cc1Br ZINC001143671290 1137187962 /nfs/dbraw/zinc/18/79/62/1137187962.db2.gz YQYGPEUDWXMHAR-UHFFFAOYSA-N 1 2 349.228 3.513 20 0 EHADLO Cc1cnc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1Br ZINC001143671290 1137187961 /nfs/dbraw/zinc/18/79/61/1137187961.db2.gz YQYGPEUDWXMHAR-UHFFFAOYSA-N 1 2 349.228 3.513 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C(F)(F)F ZINC001143676729 1137188500 /nfs/dbraw/zinc/18/85/00/1137188500.db2.gz ORWWKCFSXFQYGQ-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1C(F)(F)F ZINC001143676729 1137188501 /nfs/dbraw/zinc/18/85/01/1137188501.db2.gz ORWWKCFSXFQYGQ-MRXNPFEDSA-N 1 2 342.405 3.895 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N(CC1CC1)C1CCCCC1 ZINC001143696324 1137190156 /nfs/dbraw/zinc/19/01/56/1137190156.db2.gz HUXSSWLQOSPWGB-UHFFFAOYSA-N 1 2 339.439 3.763 20 0 EHADLO COc1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2C)CC1 ZINC001143757611 1137197684 /nfs/dbraw/zinc/19/76/84/1137197684.db2.gz GURMVXUXCVSDJW-UHFFFAOYSA-N 1 2 332.394 3.604 20 0 EHADLO CCCCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844132731 1137199948 /nfs/dbraw/zinc/19/99/48/1137199948.db2.gz LLQNMUPKCWPKHX-IEBWSBKVSA-N 1 2 325.456 3.883 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2c(F)ccc(Cl)c2Cl)CC12CC2 ZINC001143868152 1137206753 /nfs/dbraw/zinc/20/67/53/1137206753.db2.gz PUHXAOHUDZUBGC-SNVBAGLBSA-N 1 2 332.202 3.518 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)CC12CC2 ZINC001143868152 1137206755 /nfs/dbraw/zinc/20/67/55/1137206755.db2.gz PUHXAOHUDZUBGC-SNVBAGLBSA-N 1 2 332.202 3.518 20 0 EHADLO Cc1noc([C@H]2CC[N@H+](Cc3c(F)ccc(Cl)c3Cl)C2)n1 ZINC001143866965 1137206885 /nfs/dbraw/zinc/20/68/85/1137206885.db2.gz RLSRVOAELMRBLW-VIFPVBQESA-N 1 2 330.190 3.813 20 0 EHADLO Cc1noc([C@H]2CC[N@@H+](Cc3c(F)ccc(Cl)c3Cl)C2)n1 ZINC001143866965 1137206886 /nfs/dbraw/zinc/20/68/86/1137206886.db2.gz RLSRVOAELMRBLW-VIFPVBQESA-N 1 2 330.190 3.813 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794581991 1137213816 /nfs/dbraw/zinc/21/38/16/1137213816.db2.gz KYACXXICLUWEJE-VQIMIIECSA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@@]2(CCOC2)O1 ZINC000794581991 1137213818 /nfs/dbraw/zinc/21/38/18/1137213818.db2.gz KYACXXICLUWEJE-VQIMIIECSA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383917 1137215902 /nfs/dbraw/zinc/21/59/02/1137215902.db2.gz AWTWRKAVSVBLIA-CQSZACIVSA-N 1 2 329.362 3.821 20 0 EHADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000844383917 1137215903 /nfs/dbraw/zinc/21/59/03/1137215903.db2.gz AWTWRKAVSVBLIA-CQSZACIVSA-N 1 2 329.362 3.821 20 0 EHADLO Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-n1cc[nH+]c1 ZINC001143940417 1137216576 /nfs/dbraw/zinc/21/65/76/1137216576.db2.gz ZGXTZQLDWAKGTL-UHFFFAOYSA-N 1 2 349.287 3.989 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001143970031 1137220118 /nfs/dbraw/zinc/22/01/18/1137220118.db2.gz FKIAHYHEXOEVFB-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001143970031 1137220120 /nfs/dbraw/zinc/22/01/20/1137220120.db2.gz FKIAHYHEXOEVFB-CYBMUJFWSA-N 1 2 327.268 3.697 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)nc2cc(Cl)ccc12 ZINC000844439318 1137223054 /nfs/dbraw/zinc/22/30/54/1137223054.db2.gz OQAMEUNITFRCON-OAHLLOKOSA-N 1 2 339.773 3.610 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)nc2cc(Cl)ccc12 ZINC000844439318 1137223055 /nfs/dbraw/zinc/22/30/55/1137223055.db2.gz OQAMEUNITFRCON-OAHLLOKOSA-N 1 2 339.773 3.610 20 0 EHADLO Cc1ccc([C@@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c(C)c1 ZINC000794657869 1137224637 /nfs/dbraw/zinc/22/46/37/1137224637.db2.gz VHHVBXCARMNKMV-QGZVFWFLSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1ccc([C@@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c(C)c1 ZINC000794657869 1137224639 /nfs/dbraw/zinc/22/46/39/1137224639.db2.gz VHHVBXCARMNKMV-QGZVFWFLSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1ccc([C@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c(C)c1 ZINC000794657868 1137224776 /nfs/dbraw/zinc/22/47/76/1137224776.db2.gz VHHVBXCARMNKMV-KRWDZBQOSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1ccc([C@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)c(C)c1 ZINC000794657868 1137224778 /nfs/dbraw/zinc/22/47/78/1137224778.db2.gz VHHVBXCARMNKMV-KRWDZBQOSA-N 1 2 339.483 3.605 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)s1 ZINC000794686635 1137226935 /nfs/dbraw/zinc/22/69/35/1137226935.db2.gz VVCGGYTZVVHFDS-VHSSKADRSA-N 1 2 339.464 3.972 20 0 EHADLO C[C@H](CC(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1)n1cc[nH+]c1 ZINC000844470645 1137227209 /nfs/dbraw/zinc/22/72/09/1137227209.db2.gz PGGNQKJDXXLIMP-CYBMUJFWSA-N 1 2 348.397 3.741 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000794688861 1137232078 /nfs/dbraw/zinc/23/20/78/1137232078.db2.gz VOICYRLULLDBLN-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000794688861 1137232079 /nfs/dbraw/zinc/23/20/79/1137232079.db2.gz VOICYRLULLDBLN-UHFFFAOYSA-N 1 2 347.484 3.884 20 0 EHADLO CC[N@H+](CC1CCC1)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000794688828 1137232119 /nfs/dbraw/zinc/23/21/19/1137232119.db2.gz TVSMRYNTOPOBOE-UHFFFAOYSA-N 1 2 338.427 3.965 20 0 EHADLO CC[N@@H+](CC1CCC1)Cn1[nH]c(-c2cc(F)cc(F)c2)nc1=S ZINC000794688828 1137232120 /nfs/dbraw/zinc/23/21/20/1137232120.db2.gz TVSMRYNTOPOBOE-UHFFFAOYSA-N 1 2 338.427 3.965 20 0 EHADLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1F ZINC001144121053 1137240900 /nfs/dbraw/zinc/24/09/00/1137240900.db2.gz WFOHOJIYNBCMRI-UHFFFAOYSA-N 1 2 334.794 3.575 20 0 EHADLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1F ZINC001144121053 1137240902 /nfs/dbraw/zinc/24/09/02/1137240902.db2.gz WFOHOJIYNBCMRI-UHFFFAOYSA-N 1 2 334.794 3.575 20 0 EHADLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144135696 1137242733 /nfs/dbraw/zinc/24/27/33/1137242733.db2.gz ZLBZIMJLYQRBOZ-UHFFFAOYSA-N 1 2 344.833 3.840 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001144127361 1137243972 /nfs/dbraw/zinc/24/39/72/1137243972.db2.gz ASWBBFJHWHSLEM-SFHVURJKSA-N 1 2 327.472 3.873 20 0 EHADLO FC(F)(F)c1nn(C[NH+]2CCC3(CC3(F)F)CC2)c(=S)s1 ZINC000844727914 1137248147 /nfs/dbraw/zinc/24/81/47/1137248147.db2.gz IGJTZVOPIYDWRV-UHFFFAOYSA-N 1 2 345.362 3.772 20 0 EHADLO CCC[C@H]([NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171147626 1137248282 /nfs/dbraw/zinc/24/82/82/1137248282.db2.gz HWXBOEZEVFLNFV-WFASDCNBSA-N 1 2 330.255 3.782 20 0 EHADLO Cc1nn(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(=S)n1C1CC1 ZINC000844759387 1137250328 /nfs/dbraw/zinc/25/03/28/1137250328.db2.gz LTMIDZCCVBRVAR-LBPRGKRZSA-N 1 2 346.475 3.816 20 0 EHADLO Cc1nn(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(=S)n1C1CC1 ZINC000844759387 1137250329 /nfs/dbraw/zinc/25/03/29/1137250329.db2.gz LTMIDZCCVBRVAR-LBPRGKRZSA-N 1 2 346.475 3.816 20 0 EHADLO Fc1ccc2n[nH]c(C[N@@H+]3CCSC[C@H]3c3ccccc3)c2c1 ZINC001144200102 1137250650 /nfs/dbraw/zinc/25/06/50/1137250650.db2.gz YCMZKHRUVBGWMM-SFHVURJKSA-N 1 2 327.428 3.992 20 0 EHADLO Fc1ccc2n[nH]c(C[N@H+]3CCSC[C@H]3c3ccccc3)c2c1 ZINC001144200102 1137250652 /nfs/dbraw/zinc/25/06/52/1137250652.db2.gz YCMZKHRUVBGWMM-SFHVURJKSA-N 1 2 327.428 3.992 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000844739603 1137251492 /nfs/dbraw/zinc/25/14/92/1137251492.db2.gz FSKHNTFEGYBNGO-CYBMUJFWSA-N 1 2 336.382 3.553 20 0 EHADLO Cc1c2cccc(C)c2oc1C[N@@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000844739603 1137251493 /nfs/dbraw/zinc/25/14/93/1137251493.db2.gz FSKHNTFEGYBNGO-CYBMUJFWSA-N 1 2 336.382 3.553 20 0 EHADLO COc1ccc(C[C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000844881068 1137260051 /nfs/dbraw/zinc/26/00/51/1137260051.db2.gz XCKARJMWTCSERU-QGZVFWFLSA-N 1 2 349.434 3.580 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066942 1137261249 /nfs/dbraw/zinc/26/12/49/1137261249.db2.gz KCXVGILZEOHKMX-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Cl)n1 ZINC000865140577 1137264819 /nfs/dbraw/zinc/26/48/19/1137264819.db2.gz GVUBMAAKVSBBSQ-LBPRGKRZSA-N 1 2 346.862 3.775 20 0 EHADLO CC(C)(CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000865140914 1137264994 /nfs/dbraw/zinc/26/49/94/1137264994.db2.gz LLKSRYIDHFLPTE-CQSZACIVSA-N 1 2 329.419 3.623 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)csc2s1 ZINC000865158357 1137265959 /nfs/dbraw/zinc/26/59/59/1137265959.db2.gz IZYNIBCQBUKPJA-AWEZNQCLSA-N 1 2 345.493 3.874 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2nc(C(C)(C)C)cs2)c2ccccc2C1 ZINC000865165983 1137266420 /nfs/dbraw/zinc/26/64/20/1137266420.db2.gz NGKMIQLDHFPHEN-UHFFFAOYSA-N 1 2 329.469 3.533 20 0 EHADLO C[N@H+]1CCN(C(=O)c2nc(C(C)(C)C)cs2)c2ccccc2C1 ZINC000865165983 1137266421 /nfs/dbraw/zinc/26/64/21/1137266421.db2.gz NGKMIQLDHFPHEN-UHFFFAOYSA-N 1 2 329.469 3.533 20 0 EHADLO O=C1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@H]1F ZINC001171158827 1137269972 /nfs/dbraw/zinc/26/99/72/1137269972.db2.gz SMFYSBJFIJEJNX-SWLSCSKDSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@H]1F ZINC001171158827 1137269974 /nfs/dbraw/zinc/26/99/74/1137269974.db2.gz SMFYSBJFIJEJNX-SWLSCSKDSA-N 1 2 330.230 3.854 20 0 EHADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2ccccc2c1Br ZINC001144308324 1137271280 /nfs/dbraw/zinc/27/12/80/1137271280.db2.gz LQWAKVKVNMZXNJ-KGLIPLIRSA-N 1 2 338.220 3.507 20 0 EHADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc2ccccc2c1Br ZINC001144308324 1137271281 /nfs/dbraw/zinc/27/12/81/1137271281.db2.gz LQWAKVKVNMZXNJ-KGLIPLIRSA-N 1 2 338.220 3.507 20 0 EHADLO COc1cccc(C(=O)C2CC[NH+](Cc3nc(C)c(C)s3)CC2)c1 ZINC001144359726 1137278297 /nfs/dbraw/zinc/27/82/97/1137278297.db2.gz MMTGNNTVOHYMGS-UHFFFAOYSA-N 1 2 344.480 3.863 20 0 EHADLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)sc1C ZINC001144378151 1137279171 /nfs/dbraw/zinc/27/91/71/1137279171.db2.gz WURYVHDHFAMNIL-AWEZNQCLSA-N 1 2 333.476 3.778 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C3CC3)cn1)CCO2 ZINC000865428191 1137282782 /nfs/dbraw/zinc/28/27/82/1137282782.db2.gz PTURPSQOGROELR-HNNXBMFYSA-N 1 2 348.244 3.594 20 0 EHADLO CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000845283153 1137283549 /nfs/dbraw/zinc/28/35/49/1137283549.db2.gz UBEVTSSGTMPKON-IUODEOHRSA-N 1 2 334.803 3.692 20 0 EHADLO C[NH+](C)c1ccc(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000865496296 1137288988 /nfs/dbraw/zinc/28/89/88/1137288988.db2.gz UZMHSDCJSSOXCL-CYBMUJFWSA-N 1 2 343.418 3.713 20 0 EHADLO N=C(Nc1cc[nH+]cc1C(F)(F)F)c1ccc2cc(O)ccc2c1 ZINC001171184986 1137293078 /nfs/dbraw/zinc/29/30/78/1137293078.db2.gz QZXIRBJXTNNHRS-UHFFFAOYSA-N 1 2 331.297 3.819 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1ccc(Cl)cc1Cl ZINC000845483255 1137296125 /nfs/dbraw/zinc/29/61/25/1137296125.db2.gz LIJSDHPLKBAFQQ-UHFFFAOYSA-N 1 2 339.222 3.812 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(OC)c(F)c2)cc1OC ZINC001144463499 1137297107 /nfs/dbraw/zinc/29/71/07/1137297107.db2.gz STFBRZSHMJAIQW-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(OC)c(F)c2)cc1OC ZINC001144463499 1137297109 /nfs/dbraw/zinc/29/71/09/1137297109.db2.gz STFBRZSHMJAIQW-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)c2ccco2)cc1 ZINC000845596695 1137301038 /nfs/dbraw/zinc/30/10/38/1137301038.db2.gz ZDCFFMAIKVKJQQ-AUUYWEPGSA-N 1 2 340.379 3.769 20 0 EHADLO Brc1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000865671083 1137303560 /nfs/dbraw/zinc/30/35/60/1137303560.db2.gz PXERKDKUIYEUGH-UHFFFAOYSA-N 1 2 349.276 3.737 20 0 EHADLO CCCn1cc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000865720343 1137306406 /nfs/dbraw/zinc/30/64/06/1137306406.db2.gz DDFHALZQIOIESQ-UHFFFAOYSA-N 1 2 332.757 3.650 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2noc3ccc(F)cc23)c1 ZINC000865760849 1137309640 /nfs/dbraw/zinc/30/96/40/1137309640.db2.gz HEMLDIRTYUEJOJ-UHFFFAOYSA-N 1 2 348.349 3.687 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@@H](CC(C)C)C3)c2=S)n1 ZINC000120724966 1137310446 /nfs/dbraw/zinc/31/04/46/1137310446.db2.gz KKSPQPJYWNZOER-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@@H](CC(C)C)C3)c2=S)n1 ZINC000120724966 1137310448 /nfs/dbraw/zinc/31/04/48/1137310448.db2.gz KKSPQPJYWNZOER-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO Fc1cc(F)cc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000865803623 1137312772 /nfs/dbraw/zinc/31/27/72/1137312772.db2.gz GFRMVOAKXDXTSP-UHFFFAOYSA-N 1 2 345.315 3.806 20 0 EHADLO OCC1(Nc2cc[nH+]c(OCc3ccccc3)c2)Cc2ccccc2C1 ZINC001171206479 1137324813 /nfs/dbraw/zinc/32/48/13/1137324813.db2.gz KSQXEUPCETXLTI-UHFFFAOYSA-N 1 2 346.430 3.602 20 0 EHADLO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3coc(C4CC4)n3)CC2)n1 ZINC000846055014 1137330980 /nfs/dbraw/zinc/33/09/80/1137330980.db2.gz RMBFSFYXNYAMOL-WBMJQRKESA-N 1 2 342.443 3.513 20 0 EHADLO FC1(F)CN(Cc2cccc3cc[nH]c32)CC[C@@H]1[NH+]1CCCCC1 ZINC001144721696 1137338756 /nfs/dbraw/zinc/33/87/56/1137338756.db2.gz ZDEOYGFPADYQEC-KRWDZBQOSA-N 1 2 333.426 3.863 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000846211390 1137343644 /nfs/dbraw/zinc/34/36/44/1137343644.db2.gz DYIFBRCNBAIPDW-HZPDHXFCSA-N 1 2 349.475 3.723 20 0 EHADLO C[C@@H](CCc1cccnc1)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000866334149 1137346343 /nfs/dbraw/zinc/34/63/43/1137346343.db2.gz TZGSXJBHKAVWTN-IRXDYDNUSA-N 1 2 325.456 3.740 20 0 EHADLO c1cn(Cc2ccc(NCCC3CCC4(CC3)OCCO4)cc2)c[nH+]1 ZINC001171222391 1137347078 /nfs/dbraw/zinc/34/70/78/1137347078.db2.gz GQROANXENVAYLO-UHFFFAOYSA-N 1 2 341.455 3.667 20 0 EHADLO COc1cccc2c(NCCC3CCC4(CC3)OCCO4)cc[nH+]c12 ZINC001171223104 1137349460 /nfs/dbraw/zinc/34/94/60/1137349460.db2.gz OTYLIPYJFIRBHL-UHFFFAOYSA-N 1 2 342.439 3.979 20 0 EHADLO O=C(C(=Cc1ccccc1)C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421341 1137353322 /nfs/dbraw/zinc/35/33/22/1137353322.db2.gz ZBKIMNFGLKMWSG-XNTDXEJSSA-N 1 2 349.356 3.762 20 0 EHADLO O=C(C(=Cc1ccccc1)C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421341 1137353324 /nfs/dbraw/zinc/35/33/24/1137353324.db2.gz ZBKIMNFGLKMWSG-XNTDXEJSSA-N 1 2 349.356 3.762 20 0 EHADLO CC1(c2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)OCCO1 ZINC000866422998 1137353595 /nfs/dbraw/zinc/35/35/95/1137353595.db2.gz VDFHIUQBXALNGT-LJQANCHMSA-N 1 2 349.434 3.508 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nn(C)cc2C(F)F)C2CC2)c(F)c1 ZINC000866567985 1137365402 /nfs/dbraw/zinc/36/54/02/1137365402.db2.gz ONQBLBVYVUHOES-INIZCTEOSA-N 1 2 339.361 3.746 20 0 EHADLO CC(=O)N1CCN(c2ccc([NH2+][C@@H](C)CSC(C)(C)C)cc2)CC1 ZINC000866625614 1137371008 /nfs/dbraw/zinc/37/10/08/1137371008.db2.gz MBXNLTSPCSBBSO-HNNXBMFYSA-N 1 2 349.544 3.687 20 0 EHADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853414 1137372097 /nfs/dbraw/zinc/37/20/97/1137372097.db2.gz WBCZABNFTIUYGP-CWKPULSASA-N 1 2 345.295 3.740 20 0 EHADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846853414 1137372099 /nfs/dbraw/zinc/37/20/99/1137372099.db2.gz WBCZABNFTIUYGP-CWKPULSASA-N 1 2 345.295 3.740 20 0 EHADLO Cc1[nH]c(C=O)cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000847002864 1137381385 /nfs/dbraw/zinc/38/13/85/1137381385.db2.gz UBVZTTOEROPHCP-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO C/C(=C\c1ccco1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000846979570 1137381819 /nfs/dbraw/zinc/38/18/19/1137381819.db2.gz PKDCMNCKCXVJCQ-OKFGHLOFSA-N 1 2 330.453 3.650 20 0 EHADLO Cc1cc(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)cc[nH+]1 ZINC001146678085 1137393083 /nfs/dbraw/zinc/39/30/83/1137393083.db2.gz OUFAXFOMTZIOIV-UHFFFAOYSA-N 1 2 346.362 3.543 20 0 EHADLO O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147126922 1137400143 /nfs/dbraw/zinc/40/01/43/1137400143.db2.gz RJVCMJSNXMRTMU-DGADGQDISA-N 1 2 349.425 3.602 20 0 EHADLO Brc1ccc2[nH+]ccn2c1N[C@H]1COCc2ccccc21 ZINC001171301675 1137403252 /nfs/dbraw/zinc/40/32/52/1137403252.db2.gz OBMSYJWDKLWPMX-AWEZNQCLSA-N 1 2 344.212 3.780 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCC(F)(F)[C@H](F)C1)CC2 ZINC001171314771 1137413691 /nfs/dbraw/zinc/41/36/91/1137413691.db2.gz GCFZTPIZWACOAE-MEBBXXQBSA-N 1 2 333.781 3.885 20 0 EHADLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC(F)(F)[C@H](F)C1)CC2 ZINC001171314771 1137413692 /nfs/dbraw/zinc/41/36/92/1137413692.db2.gz GCFZTPIZWACOAE-MEBBXXQBSA-N 1 2 333.781 3.885 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(OC(=O)CCCn2cc[nH+]c2)cc1 ZINC001148153105 1137418476 /nfs/dbraw/zinc/41/84/76/1137418476.db2.gz XAUGAMQRBURKSW-UHFFFAOYSA-N 1 2 345.399 3.616 20 0 EHADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C(=O)c2ccccc2)cc1 ZINC001148283764 1137422157 /nfs/dbraw/zinc/42/21/57/1137422157.db2.gz RNTPOZPHCYQSAZ-UHFFFAOYSA-N 1 2 341.370 3.818 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000868838596 1137425781 /nfs/dbraw/zinc/42/57/81/1137425781.db2.gz KGPAEDDSQCBLBE-ZWKOTPCHSA-N 1 2 345.874 3.706 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001148936123 1137438153 /nfs/dbraw/zinc/43/81/53/1137438153.db2.gz NURNSBYAODWMJU-UHFFFAOYSA-N 1 2 339.354 3.798 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000348130438 1137444131 /nfs/dbraw/zinc/44/41/31/1137444131.db2.gz WMHUXKVWZXQNEO-GFCCVEGCSA-N 1 2 339.826 3.846 20 0 EHADLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000348130438 1137444132 /nfs/dbraw/zinc/44/41/32/1137444132.db2.gz WMHUXKVWZXQNEO-GFCCVEGCSA-N 1 2 339.826 3.846 20 0 EHADLO COc1cc2c(NCc3nc(-c4ccccc4)n[nH]3)cc[nH+]c2cc1F ZINC000795086496 1137456292 /nfs/dbraw/zinc/45/62/92/1137456292.db2.gz WEEYXMOEYDKUEU-UHFFFAOYSA-N 1 2 349.369 3.780 20 0 EHADLO COc1cc2c(NCc3n[nH]c(-c4ccccc4)n3)cc[nH+]c2cc1F ZINC000795086496 1137456293 /nfs/dbraw/zinc/45/62/93/1137456293.db2.gz WEEYXMOEYDKUEU-UHFFFAOYSA-N 1 2 349.369 3.780 20 0 EHADLO Cn1c(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)nc2cc(F)ccc21 ZINC000773003848 1137458092 /nfs/dbraw/zinc/45/80/92/1137458092.db2.gz XXWJVNDRJURFOW-CQSZACIVSA-N 1 2 331.341 3.768 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c(C)s1 ZINC000773016598 1137459707 /nfs/dbraw/zinc/45/97/07/1137459707.db2.gz QKCNCZJNIUOTCL-BLLLJJGKSA-N 1 2 329.469 3.524 20 0 EHADLO COC(=O)C1([N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C2CC2)CCC1 ZINC001171425559 1137479780 /nfs/dbraw/zinc/47/97/80/1137479780.db2.gz FGWUSZJOQVRUKM-HOTGVXAUSA-N 1 2 335.394 3.595 20 0 EHADLO COC(=O)C1([N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C2CC2)CCC1 ZINC001171425559 1137479782 /nfs/dbraw/zinc/47/97/82/1137479782.db2.gz FGWUSZJOQVRUKM-HOTGVXAUSA-N 1 2 335.394 3.595 20 0 EHADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253746 1137481482 /nfs/dbraw/zinc/48/14/82/1137481482.db2.gz YYRBUVXFWQNUBS-DLBZAZTESA-N 1 2 345.874 3.573 20 0 EHADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253746 1137481483 /nfs/dbraw/zinc/48/14/83/1137481483.db2.gz YYRBUVXFWQNUBS-DLBZAZTESA-N 1 2 345.874 3.573 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)O1 ZINC000870349460 1137489525 /nfs/dbraw/zinc/48/95/25/1137489525.db2.gz ONCQWSFCAGXSQT-QWQRMKEZSA-N 1 2 340.423 3.605 20 0 EHADLO CC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171462275 1137490499 /nfs/dbraw/zinc/49/04/99/1137490499.db2.gz GBENETHOFFPXFN-CJNGLKHVSA-N 1 2 325.399 3.532 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171656286 1137502161 /nfs/dbraw/zinc/50/21/61/1137502161.db2.gz YZTGWRHNRZVZPV-PXNSSMCTSA-N 1 2 325.452 3.690 20 0 EHADLO O=c1[nH]c(C[N@@H+]2C[C@H]3CCCC[C@H]32)nc2cc(C(F)(F)F)ccc12 ZINC001171756432 1137508573 /nfs/dbraw/zinc/50/85/73/1137508573.db2.gz KTHUBOFNMXCGGI-QMTHXVAHSA-N 1 2 337.345 3.729 20 0 EHADLO O=c1[nH]c(C[N@H+]2C[C@H]3CCCC[C@H]32)nc2cc(C(F)(F)F)ccc12 ZINC001171756432 1137508575 /nfs/dbraw/zinc/50/85/75/1137508575.db2.gz KTHUBOFNMXCGGI-QMTHXVAHSA-N 1 2 337.345 3.729 20 0 EHADLO C[N@H+](CC(=O)Oc1ccccc1-c1ccccc1)[C@H]1CCSC1 ZINC000123313807 1137509657 /nfs/dbraw/zinc/50/96/57/1137509657.db2.gz WQINVKGOJLTGFF-INIZCTEOSA-N 1 2 327.449 3.696 20 0 EHADLO C[N@@H+](CC(=O)Oc1ccccc1-c1ccccc1)[C@H]1CCSC1 ZINC000123313807 1137509659 /nfs/dbraw/zinc/50/96/59/1137509659.db2.gz WQINVKGOJLTGFF-INIZCTEOSA-N 1 2 327.449 3.696 20 0 EHADLO Fc1cccc2c1C[C@H]([N@@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808153 1137513872 /nfs/dbraw/zinc/51/38/72/1137513872.db2.gz YIQHVYJOHJIIJI-AUUYWEPGSA-N 1 2 333.353 3.645 20 0 EHADLO Fc1cccc2c1C[C@H]([N@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)C2 ZINC001171808153 1137513873 /nfs/dbraw/zinc/51/38/73/1137513873.db2.gz YIQHVYJOHJIIJI-AUUYWEPGSA-N 1 2 333.353 3.645 20 0 EHADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001171960273 1137519381 /nfs/dbraw/zinc/51/93/81/1137519381.db2.gz UNSNLIIYXBFTIO-WFASDCNBSA-N 1 2 331.378 3.814 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000871461876 1137542675 /nfs/dbraw/zinc/54/26/75/1137542675.db2.gz BCBXVMIUNGFCCJ-INIZCTEOSA-N 1 2 346.427 3.566 20 0 EHADLO CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000871461876 1137542676 /nfs/dbraw/zinc/54/26/76/1137542676.db2.gz BCBXVMIUNGFCCJ-INIZCTEOSA-N 1 2 346.427 3.566 20 0 EHADLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001172319379 1137546874 /nfs/dbraw/zinc/54/68/74/1137546874.db2.gz QCSPACVQOLAXEO-JJRVBVJISA-N 1 2 341.879 3.607 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3nccnc3C)nc(=O)c2c1C ZINC000871937636 1137563413 /nfs/dbraw/zinc/56/34/13/1137563413.db2.gz WSCBQMSUSSLYRJ-QWRGUYRKSA-N 1 2 343.456 3.524 20 0 EHADLO Cc1nonc1C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000872134946 1137573561 /nfs/dbraw/zinc/57/35/61/1137573561.db2.gz AJGVILQOJQMMBY-LBPRGKRZSA-N 1 2 342.624 3.571 20 0 EHADLO CCC[C@@H](OC)c1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182457 1137575606 /nfs/dbraw/zinc/57/56/06/1137575606.db2.gz MTPNGEBMILZTMA-VXGBXAGGSA-N 1 2 329.322 3.624 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873175738 1137592522 /nfs/dbraw/zinc/59/25/22/1137592522.db2.gz PDNQKKBWZOYIHP-UHFFFAOYSA-N 1 2 344.455 3.505 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873176190 1137592557 /nfs/dbraw/zinc/59/25/57/1137592557.db2.gz GMCYQCJGJNHNHK-UHFFFAOYSA-N 1 2 346.381 3.995 20 0 EHADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000825665643 1137595581 /nfs/dbraw/zinc/59/55/81/1137595581.db2.gz ABBOGCTZFRAPGL-QGZVFWFLSA-N 1 2 345.874 3.913 20 0 EHADLO C[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)Cc2ccccc21 ZINC000873819824 1137607010 /nfs/dbraw/zinc/60/70/10/1137607010.db2.gz SDBKCCARORNZGC-DOMZBBRYSA-N 1 2 337.345 3.523 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C/C=C/Cc1ccccc1 ZINC000874158867 1137611193 /nfs/dbraw/zinc/61/11/93/1137611193.db2.gz JUCAHIXGAYPCDO-LKGOPFMKSA-N 1 2 325.456 3.603 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1Br ZINC001137616642 1137629133 /nfs/dbraw/zinc/62/91/33/1137629133.db2.gz UVNKDWCBGLCOBC-LBPRGKRZSA-N 1 2 342.277 3.920 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1Br ZINC001137616642 1137629134 /nfs/dbraw/zinc/62/91/34/1137629134.db2.gz UVNKDWCBGLCOBC-LBPRGKRZSA-N 1 2 342.277 3.920 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000876221391 1137646394 /nfs/dbraw/zinc/64/63/94/1137646394.db2.gz GFWCABZLOJNRLA-GOEBONIOSA-N 1 2 344.459 3.566 20 0 EHADLO Clc1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)s1 ZINC001137106929 1137651636 /nfs/dbraw/zinc/65/16/36/1137651636.db2.gz YVGZKPJQRWCUMS-DYVFJYSZSA-N 1 2 349.887 3.873 20 0 EHADLO Clc1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)s1 ZINC001137106929 1137651637 /nfs/dbraw/zinc/65/16/37/1137651637.db2.gz YVGZKPJQRWCUMS-DYVFJYSZSA-N 1 2 349.887 3.873 20 0 EHADLO Cn1ncc2cc(C[N@H+](C)Cc3cccc(Cl)c3Cl)cnc21 ZINC000876535897 1137654925 /nfs/dbraw/zinc/65/49/25/1137654925.db2.gz SLABJVUPSNCXRO-UHFFFAOYSA-N 1 2 335.238 3.907 20 0 EHADLO Cn1ncc2cc(C[N@@H+](C)Cc3cccc(Cl)c3Cl)cnc21 ZINC000876535897 1137654926 /nfs/dbraw/zinc/65/49/26/1137654926.db2.gz SLABJVUPSNCXRO-UHFFFAOYSA-N 1 2 335.238 3.907 20 0 EHADLO CCOP(=O)(CCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1)OCC ZINC000876743978 1137660174 /nfs/dbraw/zinc/66/01/74/1137660174.db2.gz OSARIBJKUIBIRN-OAHLLOKOSA-N 1 2 345.376 3.618 20 0 EHADLO CCOP(=O)(CCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1)OCC ZINC000876743978 1137660175 /nfs/dbraw/zinc/66/01/75/1137660175.db2.gz OSARIBJKUIBIRN-OAHLLOKOSA-N 1 2 345.376 3.618 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+]3C[C@H](C)[C@@H]3c3ccccc3)nn2)cc1 ZINC000876794235 1137661485 /nfs/dbraw/zinc/66/14/85/1137661485.db2.gz POIBXAAMUTWFHW-HRAATJIYSA-N 1 2 348.450 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+]3C[C@H](C)[C@@H]3c3ccccc3)nn2)cc1 ZINC000876794235 1137661486 /nfs/dbraw/zinc/66/14/86/1137661486.db2.gz POIBXAAMUTWFHW-HRAATJIYSA-N 1 2 348.450 3.528 20 0 EHADLO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ncc(Cl)s1)CC2 ZINC001137112763 1137663416 /nfs/dbraw/zinc/66/34/16/1137663416.db2.gz HWAXUUVPDXFDQB-CYBMUJFWSA-N 1 2 342.892 3.742 20 0 EHADLO C[C@@H]([NH2+]Cc1cc2c(ccnc2Cl)o1)c1nnc2n1CCCCC2 ZINC000876921999 1137665348 /nfs/dbraw/zinc/66/53/48/1137665348.db2.gz OVYJPIWRQMJUST-LLVKDONJSA-N 1 2 345.834 3.650 20 0 EHADLO Cc1ccc([C@H](CNCc2nc(Cl)cs2)[NH+]2CCCC2)o1 ZINC000877147187 1137671678 /nfs/dbraw/zinc/67/16/78/1137671678.db2.gz QIWPXAALRWVAPD-LBPRGKRZSA-N 1 2 325.865 3.625 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3c(ccnc3Cl)o2)[nH]1 ZINC000877475610 1137677513 /nfs/dbraw/zinc/67/75/13/1137677513.db2.gz UTKVCWILMLZINP-VHSXEESVSA-N 1 2 333.823 3.964 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877487518 1137678003 /nfs/dbraw/zinc/67/80/03/1137678003.db2.gz XAIBYDKKJJFLEA-WDEREUQCSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877487518 1137678004 /nfs/dbraw/zinc/67/80/04/1137678004.db2.gz XAIBYDKKJJFLEA-WDEREUQCSA-N 1 2 347.684 3.623 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccnc1Br ZINC000877532653 1137680226 /nfs/dbraw/zinc/68/02/26/1137680226.db2.gz WEKUFYCQXOIVQO-ZDUSSCGKSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccnc1Br ZINC000877532653 1137680227 /nfs/dbraw/zinc/68/02/27/1137680227.db2.gz WEKUFYCQXOIVQO-ZDUSSCGKSA-N 1 2 335.249 3.521 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000877698951 1137686311 /nfs/dbraw/zinc/68/63/11/1137686311.db2.gz RXVCXOQANYNBBM-UHFFFAOYSA-N 1 2 349.434 3.875 20 0 EHADLO COCCc1ncc(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)s1 ZINC000877773904 1137689256 /nfs/dbraw/zinc/68/92/56/1137689256.db2.gz BQXQEFSEGIVMGI-UHFFFAOYSA-N 1 2 336.888 3.852 20 0 EHADLO COCCc1ncc(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)s1 ZINC000877773904 1137689257 /nfs/dbraw/zinc/68/92/57/1137689257.db2.gz BQXQEFSEGIVMGI-UHFFFAOYSA-N 1 2 336.888 3.852 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)CCO1 ZINC000877820002 1137691436 /nfs/dbraw/zinc/69/14/36/1137691436.db2.gz LDFYJXLFUQYVFH-GFCCVEGCSA-N 1 2 332.347 3.556 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)CCO1 ZINC000877820002 1137691437 /nfs/dbraw/zinc/69/14/37/1137691437.db2.gz LDFYJXLFUQYVFH-GFCCVEGCSA-N 1 2 332.347 3.556 20 0 EHADLO COc1ccc(OC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)cc1 ZINC000877972330 1137697793 /nfs/dbraw/zinc/69/77/93/1137697793.db2.gz ZSSQXRXPYWONAJ-UHFFFAOYSA-N 1 2 342.439 3.605 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+]3CCCc4sccc4C3)cs2)n1 ZINC000878085322 1137701640 /nfs/dbraw/zinc/70/16/40/1137701640.db2.gz RCIOXGHEUDTOPR-UHFFFAOYSA-N 1 2 330.482 3.554 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+]3CCCc4sccc4C3)cs2)n1 ZINC000878085322 1137701641 /nfs/dbraw/zinc/70/16/41/1137701641.db2.gz RCIOXGHEUDTOPR-UHFFFAOYSA-N 1 2 330.482 3.554 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878132622 1137703860 /nfs/dbraw/zinc/70/38/60/1137703860.db2.gz AINUPODRYYHWTH-MRXNPFEDSA-N 1 2 334.414 3.551 20 0 EHADLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878132622 1137703861 /nfs/dbraw/zinc/70/38/61/1137703861.db2.gz AINUPODRYYHWTH-MRXNPFEDSA-N 1 2 334.414 3.551 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878157187 1137705108 /nfs/dbraw/zinc/70/51/08/1137705108.db2.gz CHZCXDXNCGWUJJ-INIZCTEOSA-N 1 2 338.411 3.508 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878157187 1137705109 /nfs/dbraw/zinc/70/51/09/1137705109.db2.gz CHZCXDXNCGWUJJ-INIZCTEOSA-N 1 2 338.411 3.508 20 0 EHADLO C[C@H]1CC(=O)N(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000126951835 1137705676 /nfs/dbraw/zinc/70/56/76/1137705676.db2.gz PNQDVEIPELUETQ-ZDUSSCGKSA-N 1 2 338.373 3.620 20 0 EHADLO C[C@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000126951835 1137705677 /nfs/dbraw/zinc/70/56/77/1137705677.db2.gz PNQDVEIPELUETQ-ZDUSSCGKSA-N 1 2 338.373 3.620 20 0 EHADLO CC1(C)CCc2onc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)c2C1 ZINC000878270397 1137709294 /nfs/dbraw/zinc/70/92/94/1137709294.db2.gz WIHRAJCMGDOKPH-UHFFFAOYSA-N 1 2 336.439 3.665 20 0 EHADLO CC1(C)CCc2onc(C[NH+]3CCC(Nc4ccccn4)CC3)c2C1 ZINC000878321642 1137710945 /nfs/dbraw/zinc/71/09/45/1137710945.db2.gz RKRSFEDXFFAAFD-UHFFFAOYSA-N 1 2 340.471 3.661 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000878352597 1137712089 /nfs/dbraw/zinc/71/20/89/1137712089.db2.gz BNRBKTLZVIJSMW-CYBMUJFWSA-N 1 2 339.439 3.753 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000878391094 1137713843 /nfs/dbraw/zinc/71/38/43/1137713843.db2.gz IMXUEYMUPJHKRW-QWHCGFSZSA-N 1 2 344.377 3.730 20 0 EHADLO CCOC(=O)c1c(C)ccnc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000878391094 1137713844 /nfs/dbraw/zinc/71/38/44/1137713844.db2.gz IMXUEYMUPJHKRW-QWHCGFSZSA-N 1 2 344.377 3.730 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)c2)[nH+]c1C ZINC000878392308 1137714019 /nfs/dbraw/zinc/71/40/19/1137714019.db2.gz IIXLAFTVHRUYLM-ADLMAVQZSA-N 1 2 349.438 3.721 20 0 EHADLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878540322 1137719523 /nfs/dbraw/zinc/71/95/23/1137719523.db2.gz MHCABYVNTKIUPN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878540322 1137719524 /nfs/dbraw/zinc/71/95/24/1137719524.db2.gz MHCABYVNTKIUPN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)no1 ZINC000878631490 1137723094 /nfs/dbraw/zinc/72/30/94/1137723094.db2.gz BKXKJONDWWGCGR-XIRDDKMYSA-N 1 2 345.443 3.566 20 0 EHADLO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc1Cl ZINC000878713173 1137726024 /nfs/dbraw/zinc/72/60/24/1137726024.db2.gz ZJSCKQDZUKRCBD-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc1Cl ZINC000878713173 1137726025 /nfs/dbraw/zinc/72/60/25/1137726025.db2.gz ZJSCKQDZUKRCBD-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)co1 ZINC000878770374 1137727631 /nfs/dbraw/zinc/72/76/31/1137727631.db2.gz OPWSPYDDSOBNGK-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)co1 ZINC000878770374 1137727632 /nfs/dbraw/zinc/72/76/32/1137727632.db2.gz OPWSPYDDSOBNGK-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COC[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccc(OC)c1 ZINC000878918047 1137732132 /nfs/dbraw/zinc/73/21/32/1137732132.db2.gz CPGYKPRXSOAVCL-MRXNPFEDSA-N 1 2 341.238 3.874 20 0 EHADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976404 1137734047 /nfs/dbraw/zinc/73/40/47/1137734047.db2.gz SHSMHEHGOUBILM-HUUCEWRRSA-N 1 2 338.238 3.654 20 0 EHADLO O[C@H](C[N@H+]1CCC[C@@H]1c1ncccn1)c1ccc(Cl)cc1Cl ZINC000878976404 1137734048 /nfs/dbraw/zinc/73/40/48/1137734048.db2.gz SHSMHEHGOUBILM-HUUCEWRRSA-N 1 2 338.238 3.654 20 0 EHADLO Brc1cccnc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000879035315 1137736051 /nfs/dbraw/zinc/73/60/51/1137736051.db2.gz RVZXTAJPZDLHKB-MRXNPFEDSA-N 1 2 332.245 3.870 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000879089884 1137737468 /nfs/dbraw/zinc/73/74/68/1137737468.db2.gz ROFDHGNFSDRNMI-HIFRSBDPSA-N 1 2 335.835 3.640 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322350 1137744626 /nfs/dbraw/zinc/74/46/26/1137744626.db2.gz VLEMNAIEWCCACE-WMLDXEAASA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322350 1137744627 /nfs/dbraw/zinc/74/46/27/1137744627.db2.gz VLEMNAIEWCCACE-WMLDXEAASA-N 1 2 332.469 3.721 20 0 EHADLO CCCCCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000127714626 1137746189 /nfs/dbraw/zinc/74/61/89/1137746189.db2.gz CXEDJFVXXMMFAQ-UHFFFAOYSA-N 1 2 332.492 3.527 20 0 EHADLO CC(C)c1scnc1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000879597834 1137752037 /nfs/dbraw/zinc/75/20/37/1137752037.db2.gz WFYRZTYTSPTJDH-CQSZACIVSA-N 1 2 330.457 3.575 20 0 EHADLO CC(C)c1scnc1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000879597834 1137752038 /nfs/dbraw/zinc/75/20/38/1137752038.db2.gz WFYRZTYTSPTJDH-CQSZACIVSA-N 1 2 330.457 3.575 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630443 1137752818 /nfs/dbraw/zinc/75/28/18/1137752818.db2.gz JGFNNICMTBPVJU-QFBILLFUSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630443 1137752819 /nfs/dbraw/zinc/75/28/19/1137752819.db2.gz JGFNNICMTBPVJU-QFBILLFUSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630441 1137752882 /nfs/dbraw/zinc/75/28/82/1137752882.db2.gz JGFNNICMTBPVJU-APWZRJJASA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630441 1137752883 /nfs/dbraw/zinc/75/28/83/1137752883.db2.gz JGFNNICMTBPVJU-APWZRJJASA-N 1 2 331.456 3.560 20 0 EHADLO Cc1ccccc1-c1nc(C[NH2+]C2([C@H]3CCCCO3)CCC2)no1 ZINC000879735409 1137757081 /nfs/dbraw/zinc/75/70/81/1137757081.db2.gz VOKINQZYRGACJO-MRXNPFEDSA-N 1 2 327.428 3.626 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000879749519 1137757706 /nfs/dbraw/zinc/75/77/06/1137757706.db2.gz YQVNVXJNNJUAQB-HNNXBMFYSA-N 1 2 326.425 3.839 20 0 EHADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000879749519 1137757707 /nfs/dbraw/zinc/75/77/07/1137757707.db2.gz YQVNVXJNNJUAQB-HNNXBMFYSA-N 1 2 326.425 3.839 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001391 1137764235 /nfs/dbraw/zinc/76/42/35/1137764235.db2.gz ULCCFSJLXAKXCB-OTYXRUKQSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001391 1137764236 /nfs/dbraw/zinc/76/42/36/1137764236.db2.gz ULCCFSJLXAKXCB-OTYXRUKQSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001394 1137764463 /nfs/dbraw/zinc/76/44/63/1137764463.db2.gz ULCCFSJLXAKXCB-YMTOWFKASA-N 1 2 336.304 3.566 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001394 1137764464 /nfs/dbraw/zinc/76/44/64/1137764464.db2.gz ULCCFSJLXAKXCB-YMTOWFKASA-N 1 2 336.304 3.566 20 0 EHADLO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008397 1137764989 /nfs/dbraw/zinc/76/49/89/1137764989.db2.gz AFRISAARXMLZCZ-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO Cc1csc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000880008397 1137764990 /nfs/dbraw/zinc/76/49/90/1137764990.db2.gz AFRISAARXMLZCZ-STQMWFEESA-N 1 2 349.887 3.921 20 0 EHADLO COC(=O)c1cnc(CC2CC[NH+](C/C(Cl)=C/Cl)CC2)s1 ZINC000880274092 1137772610 /nfs/dbraw/zinc/77/26/10/1137772610.db2.gz LPYSDPHMZMFTEW-XFFZJAGNSA-N 1 2 349.283 3.503 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(-c2cccs2)on1)n1cc[nH+]c1 ZINC000880431793 1137778472 /nfs/dbraw/zinc/77/84/72/1137778472.db2.gz GECGKWXIMPZRGD-LBPRGKRZSA-N 1 2 330.413 3.826 20 0 EHADLO CC(C)c1nnc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)s1 ZINC000880552739 1137781223 /nfs/dbraw/zinc/78/12/23/1137781223.db2.gz BOTMYKWQBRPNBH-OAHLLOKOSA-N 1 2 328.485 3.646 20 0 EHADLO CC(C)c1nnc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)s1 ZINC000880552739 1137781224 /nfs/dbraw/zinc/78/12/24/1137781224.db2.gz BOTMYKWQBRPNBH-OAHLLOKOSA-N 1 2 328.485 3.646 20 0 EHADLO CCCCc1noc(C[N@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134107 1137785363 /nfs/dbraw/zinc/78/53/63/1137785363.db2.gz ASMZLQUYANXUFR-MAUKXSAKSA-N 1 2 343.471 3.937 20 0 EHADLO CCCCc1noc(C[N@@H+]([C@@H](C)COC)[C@@H]2CCc3ccccc32)n1 ZINC000626134107 1137785364 /nfs/dbraw/zinc/78/53/64/1137785364.db2.gz ASMZLQUYANXUFR-MAUKXSAKSA-N 1 2 343.471 3.937 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000880745034 1137787873 /nfs/dbraw/zinc/78/78/73/1137787873.db2.gz BAGOWJBLUHKRIC-UHFFFAOYSA-N 1 2 328.391 3.838 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000880745034 1137787874 /nfs/dbraw/zinc/78/78/74/1137787874.db2.gz BAGOWJBLUHKRIC-UHFFFAOYSA-N 1 2 328.391 3.838 20 0 EHADLO O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882573981 1137829732 /nfs/dbraw/zinc/82/97/32/1137829732.db2.gz KHJVBVSCFZVOEK-FZMZJTMJSA-N 1 2 341.308 3.657 20 0 EHADLO CCCOc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1C(C)C ZINC000882652660 1137830808 /nfs/dbraw/zinc/83/08/08/1137830808.db2.gz HAKLLGBDSYQYCS-OAHLLOKOSA-N 1 2 341.455 3.996 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F)n1cc[nH+]c1 ZINC000882728455 1137832705 /nfs/dbraw/zinc/83/27/05/1137832705.db2.gz YMBOGHQEIQZYDB-HZMBPMFUSA-N 1 2 327.762 3.610 20 0 EHADLO C[C@H](CC(=O)N[C@H](c1cccc(Cl)c1)C(F)F)n1cc[nH+]c1 ZINC000882728457 1137832759 /nfs/dbraw/zinc/83/27/59/1137832759.db2.gz YMBOGHQEIQZYDB-QMTHXVAHSA-N 1 2 327.762 3.610 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC000882871553 1137836248 /nfs/dbraw/zinc/83/62/48/1137836248.db2.gz JMCGXQUZTKJZKH-HOTGVXAUSA-N 1 2 333.382 3.566 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCCC[C@@H](C2CCOCC2)C1 ZINC000883009851 1137841351 /nfs/dbraw/zinc/84/13/51/1137841351.db2.gz VXSSPYICTFRQPX-MRXNPFEDSA-N 1 2 325.456 3.850 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000130968293 1137844502 /nfs/dbraw/zinc/84/45/02/1137844502.db2.gz YFXVOKDJGOCVEC-HNNXBMFYSA-N 1 2 348.541 3.711 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000130968293 1137844503 /nfs/dbraw/zinc/84/45/03/1137844503.db2.gz YFXVOKDJGOCVEC-HNNXBMFYSA-N 1 2 348.541 3.711 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000130989756 1137844664 /nfs/dbraw/zinc/84/46/64/1137844664.db2.gz SQQNJTHRPHCDFX-INIZCTEOSA-N 1 2 348.541 3.556 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000130989756 1137844665 /nfs/dbraw/zinc/84/46/65/1137844665.db2.gz SQQNJTHRPHCDFX-INIZCTEOSA-N 1 2 348.541 3.556 20 0 EHADLO CCOc1cc(C[NH2+]Cc2ccc(C)nc2Cl)c(F)cc1OC ZINC000883294067 1137853335 /nfs/dbraw/zinc/85/33/35/1137853335.db2.gz OHCHKKNGSAWOTR-UHFFFAOYSA-N 1 2 338.810 3.880 20 0 EHADLO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883381714 1137858375 /nfs/dbraw/zinc/85/83/75/1137858375.db2.gz RRLVUEYSHAGOJK-HIFRSBDPSA-N 1 2 327.325 3.554 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883384020 1137858565 /nfs/dbraw/zinc/85/85/65/1137858565.db2.gz KJWHKVXJHYEHHL-UZLBHIALSA-N 1 2 345.414 3.828 20 0 EHADLO C[C@H]([NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21)c1cscn1 ZINC000883385205 1137858739 /nfs/dbraw/zinc/85/87/39/1137858739.db2.gz HIJCZERSMFIBIN-ZFWWWQNUSA-N 1 2 330.453 3.867 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)no1 ZINC000883385721 1137858979 /nfs/dbraw/zinc/85/89/79/1137858979.db2.gz RJYPMRWWHSHLRJ-WMLDXEAASA-N 1 2 328.412 3.707 20 0 EHADLO COc1cc(C[N@H+](C)Cn2cc(C)cnc2=S)ccc1SC ZINC000131899851 1137861281 /nfs/dbraw/zinc/86/12/81/1137861281.db2.gz BENGKIRWJDOJOF-UHFFFAOYSA-N 1 2 335.498 3.741 20 0 EHADLO COc1cc(C[N@@H+](C)Cn2cc(C)cnc2=S)ccc1SC ZINC000131899851 1137861282 /nfs/dbraw/zinc/86/12/82/1137861282.db2.gz BENGKIRWJDOJOF-UHFFFAOYSA-N 1 2 335.498 3.741 20 0 EHADLO CCn1c(C)nn(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1=S ZINC000132622817 1137867704 /nfs/dbraw/zinc/86/77/04/1137867704.db2.gz CAPGILQAHCDMOL-UHFFFAOYSA-N 1 2 338.427 3.647 20 0 EHADLO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864238 1137871829 /nfs/dbraw/zinc/87/18/29/1137871829.db2.gz WOMYLYSZWDVYEG-UHFFFAOYSA-N 1 2 346.434 3.731 20 0 EHADLO COc1ccc(-c2noc(C[NH2+]C3(c4ccccc4)CCC3)n2)cc1 ZINC000104664930 1137878917 /nfs/dbraw/zinc/87/89/17/1137878917.db2.gz SHYSQMCRNMLIPY-UHFFFAOYSA-N 1 2 335.407 3.914 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000883983300 1137887056 /nfs/dbraw/zinc/88/70/56/1137887056.db2.gz YQTHZATZVMMWRJ-DOMZBBRYSA-N 1 2 349.356 3.660 20 0 EHADLO Cc1cccc([C@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348266755 1137889084 /nfs/dbraw/zinc/88/90/84/1137889084.db2.gz KHUCIHAJQPUNEN-KRWDZBQOSA-N 1 2 333.435 3.660 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000110675381 1137902580 /nfs/dbraw/zinc/90/25/80/1137902580.db2.gz UHNLRZJQTXVNPX-KRWDZBQOSA-N 1 2 329.469 3.618 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000114705338 1137918482 /nfs/dbraw/zinc/91/84/82/1137918482.db2.gz NIUDANZAWSHDIX-DLBZAZTESA-N 1 2 329.488 3.503 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000117297631 1137929859 /nfs/dbraw/zinc/92/98/59/1137929859.db2.gz QLVBQGUYFDYEKD-UHFFFAOYSA-N 1 2 347.462 3.930 20 0 EHADLO CC[N@H+](CCc1nccs1)CN1c2cccc3cccc(c23)C1=O ZINC000134064248 1137936639 /nfs/dbraw/zinc/93/66/39/1137936639.db2.gz UBXNFSIHXHUQHG-UHFFFAOYSA-N 1 2 337.448 3.779 20 0 EHADLO CC[N@@H+](CCc1nccs1)CN1c2cccc3cccc(c23)C1=O ZINC000134064248 1137936640 /nfs/dbraw/zinc/93/66/40/1137936640.db2.gz UBXNFSIHXHUQHG-UHFFFAOYSA-N 1 2 337.448 3.779 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3cccs3)nc(=O)c2c1C ZINC000119854203 1137944956 /nfs/dbraw/zinc/94/49/56/1137944956.db2.gz FJSRZNABHDOBHQ-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3cccs3)nc(=O)c2c1C ZINC000119854203 1137944957 /nfs/dbraw/zinc/94/49/57/1137944957.db2.gz FJSRZNABHDOBHQ-JTQLQIEISA-N 1 2 333.482 3.856 20 0 EHADLO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1nc(-c2cccnc2)no1)C(C)C ZINC000120871397 1137953117 /nfs/dbraw/zinc/95/31/17/1137953117.db2.gz RNGVBPXRFDVTFK-ZBFHGGJFSA-N 1 2 337.427 3.883 20 0 EHADLO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)C(C)C ZINC000120870919 1137953198 /nfs/dbraw/zinc/95/31/98/1137953198.db2.gz RNGVBPXRFDVTFK-GOEBONIOSA-N 1 2 337.427 3.883 20 0 EHADLO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@@H]1CCCCO1 ZINC000121062929 1137954757 /nfs/dbraw/zinc/95/47/57/1137954757.db2.gz RULBEEDAZDNEHG-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@@H]1CCCCO1 ZINC000121062929 1137954758 /nfs/dbraw/zinc/95/47/58/1137954758.db2.gz RULBEEDAZDNEHG-AWEZNQCLSA-N 1 2 347.484 3.678 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333199049 1137957932 /nfs/dbraw/zinc/95/79/32/1137957932.db2.gz YGEXJIKXTOWJOX-HHXXYDBFSA-N 1 2 347.503 3.593 20 0 EHADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333199049 1137957933 /nfs/dbraw/zinc/95/79/33/1137957933.db2.gz YGEXJIKXTOWJOX-HHXXYDBFSA-N 1 2 347.503 3.593 20 0 EHADLO Cc1cccc(CCCNc2cc(Cl)nc([C@H]3CCCO3)n2)[nH+]1 ZINC000884504580 1137961568 /nfs/dbraw/zinc/96/15/68/1137961568.db2.gz LZRYXICSHRCMBB-CQSZACIVSA-N 1 2 332.835 3.730 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000348326641 1137961940 /nfs/dbraw/zinc/96/19/40/1137961940.db2.gz SZCHAZXOGZUDMX-JTQLQIEISA-N 1 2 345.390 3.892 20 0 EHADLO C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3cccc(F)c3)sc2C1 ZINC000348344346 1137990017 /nfs/dbraw/zinc/99/00/17/1137990017.db2.gz OQMSWQILQJXVIJ-ISTRZQFTSA-N 1 2 346.471 3.715 20 0 EHADLO C[C@@H]1CCc2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3cccc(F)c3)sc2C1 ZINC000348344346 1137990019 /nfs/dbraw/zinc/99/00/19/1137990019.db2.gz OQMSWQILQJXVIJ-ISTRZQFTSA-N 1 2 346.471 3.715 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)c(F)c1OC ZINC000885992473 1138031003 /nfs/dbraw/zinc/03/10/03/1138031003.db2.gz IOADKIQQISMSEJ-LBPRGKRZSA-N 1 2 343.402 3.580 20 0 EHADLO C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206604 1138059153 /nfs/dbraw/zinc/05/91/53/1138059153.db2.gz YHPVPBCTTGKMBT-YESZJQIVSA-N 1 2 331.460 3.822 20 0 EHADLO C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000886206604 1138059154 /nfs/dbraw/zinc/05/91/54/1138059154.db2.gz YHPVPBCTTGKMBT-YESZJQIVSA-N 1 2 331.460 3.822 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCSC(F)(F)F ZINC000886206449 1138059187 /nfs/dbraw/zinc/05/91/87/1138059187.db2.gz TXEHHQQCGPJSBM-JTQLQIEISA-N 1 2 334.411 3.565 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCSC(F)(F)F ZINC000886206449 1138059189 /nfs/dbraw/zinc/05/91/89/1138059189.db2.gz TXEHHQQCGPJSBM-JTQLQIEISA-N 1 2 334.411 3.565 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC000886612743 1138102041 /nfs/dbraw/zinc/10/20/41/1138102041.db2.gz SUFWPMYDJBDZPT-WFASDCNBSA-N 1 2 331.382 3.823 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC000886612743 1138102043 /nfs/dbraw/zinc/10/20/43/1138102043.db2.gz SUFWPMYDJBDZPT-WFASDCNBSA-N 1 2 331.382 3.823 20 0 EHADLO CCSCC[C@@H](C)[N@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000072900667 1138108801 /nfs/dbraw/zinc/10/88/01/1138108801.db2.gz NRYBCUBCSPTWAM-GFCCVEGCSA-N 1 2 341.546 3.622 20 0 EHADLO CCSCC[C@@H](C)[N@@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000072900667 1138108802 /nfs/dbraw/zinc/10/88/02/1138108802.db2.gz NRYBCUBCSPTWAM-GFCCVEGCSA-N 1 2 341.546 3.622 20 0 EHADLO C[C@H]([NH2+]Cc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccc(F)cn1 ZINC000886680498 1138113592 /nfs/dbraw/zinc/11/35/92/1138113592.db2.gz GDJMFDCJHCKWRR-LBPRGKRZSA-N 1 2 346.406 3.814 20 0 EHADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2cccc(F)c2)cs1)C1CC1 ZINC000076902069 1138135407 /nfs/dbraw/zinc/13/54/07/1138135407.db2.gz CSZWPAYEXZJXEJ-UHFFFAOYSA-N 1 2 347.459 3.822 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1O ZINC000080975773 1138165118 /nfs/dbraw/zinc/16/51/18/1138165118.db2.gz SSJRCDZRGUWACS-UHFFFAOYSA-N 1 2 338.407 3.505 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1O ZINC000080975773 1138165120 /nfs/dbraw/zinc/16/51/20/1138165120.db2.gz SSJRCDZRGUWACS-UHFFFAOYSA-N 1 2 338.407 3.505 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cnccc1Cl ZINC001137236559 1138184259 /nfs/dbraw/zinc/18/42/59/1138184259.db2.gz HGZBMFUGEKVGGZ-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cnccc1Cl ZINC001137236559 1138184260 /nfs/dbraw/zinc/18/42/60/1138184260.db2.gz HGZBMFUGEKVGGZ-OCCSQVGLSA-N 1 2 339.867 3.613 20 0 EHADLO CC(C)[C@@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000086371292 1138187027 /nfs/dbraw/zinc/18/70/27/1138187027.db2.gz WFNIPSUKGZTKBH-OAHLLOKOSA-N 1 2 326.444 3.591 20 0 EHADLO Fc1ccc(-n2nc(CSCCn3cc[nH+]c3)c3c2CCC3)cc1 ZINC000090201127 1138210074 /nfs/dbraw/zinc/21/00/74/1138210074.db2.gz HTPMUWBSSORKHH-UHFFFAOYSA-N 1 2 342.443 3.630 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C)c1 ZINC000090631321 1138212478 /nfs/dbraw/zinc/21/24/78/1138212478.db2.gz PCNNPFZOXXEJIZ-SFHVURJKSA-N 1 2 337.467 3.526 20 0 EHADLO c1coc(-c2noc(C[N@@H+]3Cc4ccccc4OC4(CCC4)C3)n2)c1 ZINC000887151297 1138223392 /nfs/dbraw/zinc/22/33/92/1138223392.db2.gz RDYSCHULIKOLRX-UHFFFAOYSA-N 1 2 337.379 3.647 20 0 EHADLO c1coc(-c2noc(C[N@H+]3Cc4ccccc4OC4(CCC4)C3)n2)c1 ZINC000887151297 1138223394 /nfs/dbraw/zinc/22/33/94/1138223394.db2.gz RDYSCHULIKOLRX-UHFFFAOYSA-N 1 2 337.379 3.647 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)s1 ZINC000093807740 1138241263 /nfs/dbraw/zinc/24/12/63/1138241263.db2.gz NGCCUWVIOSOHLH-UHFFFAOYSA-N 1 2 342.468 3.736 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)s1 ZINC000093807740 1138241264 /nfs/dbraw/zinc/24/12/64/1138241264.db2.gz NGCCUWVIOSOHLH-UHFFFAOYSA-N 1 2 342.468 3.736 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnccc1Cl ZINC001137239201 1138242342 /nfs/dbraw/zinc/24/23/42/1138242342.db2.gz LEHOUJGYBWGFBE-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnccc1Cl ZINC001137239201 1138242343 /nfs/dbraw/zinc/24/23/43/1138242343.db2.gz LEHOUJGYBWGFBE-IUODEOHRSA-N 1 2 339.867 3.613 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000122777876 1138262246 /nfs/dbraw/zinc/26/22/46/1138262246.db2.gz QAQQTBYFGXDDQU-RDJZCZTQSA-N 1 2 343.496 3.702 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000333391319 1138284745 /nfs/dbraw/zinc/28/47/45/1138284745.db2.gz ZHHFQJXTXQAIEY-OAHLLOKOSA-N 1 2 345.516 3.997 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333391319 1138284752 /nfs/dbraw/zinc/28/47/52/1138284752.db2.gz ZHHFQJXTXQAIEY-OAHLLOKOSA-N 1 2 345.516 3.997 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)n1 ZINC000333391319 1138284754 /nfs/dbraw/zinc/28/47/54/1138284754.db2.gz ZHHFQJXTXQAIEY-OAHLLOKOSA-N 1 2 345.516 3.997 20 0 EHADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000125543295 1138311413 /nfs/dbraw/zinc/31/14/13/1138311413.db2.gz TZAYMZXOKHFKPU-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000125543295 1138311416 /nfs/dbraw/zinc/31/14/16/1138311416.db2.gz TZAYMZXOKHFKPU-INIZCTEOSA-N 1 2 345.830 3.519 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1OCCc2ccccc21 ZINC000263671132 1138339966 /nfs/dbraw/zinc/33/99/66/1138339966.db2.gz GHDZMNJPZUQPOQ-OAHLLOKOSA-N 1 2 341.436 3.544 20 0 EHADLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1OCCc2ccccc21 ZINC000263671132 1138339969 /nfs/dbraw/zinc/33/99/69/1138339969.db2.gz GHDZMNJPZUQPOQ-OAHLLOKOSA-N 1 2 341.436 3.544 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000263752437 1138356700 /nfs/dbraw/zinc/35/67/00/1138356700.db2.gz FWJOQJZNTCHLSN-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263754737 1138357441 /nfs/dbraw/zinc/35/74/41/1138357441.db2.gz GCYOWFKTOJCNOM-MRXNPFEDSA-N 1 2 344.846 3.640 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C)C[C@H](C)O1 ZINC000263810819 1138371937 /nfs/dbraw/zinc/37/19/37/1138371937.db2.gz WSHCLJMSCFESSZ-HOTGVXAUSA-N 1 2 347.503 3.806 20 0 EHADLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000263832818 1138376890 /nfs/dbraw/zinc/37/68/90/1138376890.db2.gz NVIGMWTZWNJDIT-GFCCVEGCSA-N 1 2 332.835 3.713 20 0 EHADLO CC(C)(C)CN(Cc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000264108112 1138420467 /nfs/dbraw/zinc/42/04/67/1138420467.db2.gz SMVQBVVJIIPDSJ-UHFFFAOYSA-N 1 2 328.460 3.531 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000336894050 1138422820 /nfs/dbraw/zinc/42/28/20/1138422820.db2.gz VSWNUQJAKBVLIE-UHFFFAOYSA-N 1 2 341.411 3.977 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000336894050 1138422823 /nfs/dbraw/zinc/42/28/23/1138422823.db2.gz VSWNUQJAKBVLIE-UHFFFAOYSA-N 1 2 341.411 3.977 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cccc2SC)c1C ZINC000336912699 1138426274 /nfs/dbraw/zinc/42/62/74/1138426274.db2.gz JQLPZBOLGJWKJZ-UHFFFAOYSA-N 1 2 348.443 3.840 20 0 EHADLO CC[C@H](C)[C@H](C)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000264158650 1138431251 /nfs/dbraw/zinc/43/12/51/1138431251.db2.gz INDVLGNNDRFAGP-HOTGVXAUSA-N 1 2 325.456 3.971 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000264175911 1138434268 /nfs/dbraw/zinc/43/42/68/1138434268.db2.gz LRZUVTNZCPZCKF-HZPDHXFCSA-N 1 2 325.456 3.971 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCCCCC2)c1)[NH+]1CCOCC1 ZINC000264209284 1138443735 /nfs/dbraw/zinc/44/37/35/1138443735.db2.gz GRIBYBPQRSNVNX-KRWDZBQOSA-N 1 2 345.487 3.878 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000130579315 1138463540 /nfs/dbraw/zinc/46/35/40/1138463540.db2.gz XNOLLQJORVADIG-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000130579315 1138463543 /nfs/dbraw/zinc/46/35/43/1138463543.db2.gz XNOLLQJORVADIG-OAHLLOKOSA-N 1 2 341.390 3.553 20 0 EHADLO Cc1nc2sc3c(c2c(N(C)CCCn2cc[nH+]c2)n1)CCCC3 ZINC000337096806 1138465355 /nfs/dbraw/zinc/46/53/55/1138465355.db2.gz APIQZSHCDVEIFF-UHFFFAOYSA-N 1 2 341.484 3.602 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc(-c3ccccc3)oc2C)ccc1O ZINC000264318403 1138473866 /nfs/dbraw/zinc/47/38/66/1138473866.db2.gz WWKNAHOLUMLLKB-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc(-c3ccccc3)oc2C)ccc1O ZINC000264318403 1138473869 /nfs/dbraw/zinc/47/38/69/1138473869.db2.gz WWKNAHOLUMLLKB-UHFFFAOYSA-N 1 2 338.407 3.996 20 0 EHADLO C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337150058 1138479864 /nfs/dbraw/zinc/47/98/64/1138479864.db2.gz KOIZWSHTBWAHTB-IXDOHACOSA-N 1 2 329.488 3.752 20 0 EHADLO O=C([C@@H]1CC12CCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337164114 1138483097 /nfs/dbraw/zinc/48/30/97/1138483097.db2.gz WPSICYVBYCNKGK-WBVHZDCISA-N 1 2 327.472 3.506 20 0 EHADLO CC(C)n1nccc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000337210549 1138496422 /nfs/dbraw/zinc/49/64/22/1138496422.db2.gz UEQFDBYBQCCCFC-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000337210549 1138496423 /nfs/dbraw/zinc/49/64/23/1138496423.db2.gz UEQFDBYBQCCCFC-UHFFFAOYSA-N 1 2 340.240 3.998 20 0 EHADLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000131483487 1138521525 /nfs/dbraw/zinc/52/15/25/1138521525.db2.gz HNRUWVXCCVPNFR-INIZCTEOSA-N 1 2 336.439 3.829 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)NCc1ccco1 ZINC000264464823 1138525040 /nfs/dbraw/zinc/52/50/40/1138525040.db2.gz HLPHUDBYCSEFAL-LJQANCHMSA-N 1 2 337.423 3.604 20 0 EHADLO O=C(C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)NCc1ccco1 ZINC000264464823 1138525042 /nfs/dbraw/zinc/52/50/42/1138525042.db2.gz HLPHUDBYCSEFAL-LJQANCHMSA-N 1 2 337.423 3.604 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264535307 1138550541 /nfs/dbraw/zinc/55/05/41/1138550541.db2.gz OVFZFAPRVFPSDD-HOTGVXAUSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1nn2c(C[N@@H+]3CC[C@@](F)(c4ccccc4C)C3)c(C)nc2s1 ZINC000337388385 1138553077 /nfs/dbraw/zinc/55/30/77/1138553077.db2.gz FKVRODVFOIOSJA-SFHVURJKSA-N 1 2 344.459 3.787 20 0 EHADLO Cc1nn2c(C[N@H+]3CC[C@@](F)(c4ccccc4C)C3)c(C)nc2s1 ZINC000337388385 1138553079 /nfs/dbraw/zinc/55/30/79/1138553079.db2.gz FKVRODVFOIOSJA-SFHVURJKSA-N 1 2 344.459 3.787 20 0 EHADLO FC(F)O[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000337406203 1138558278 /nfs/dbraw/zinc/55/82/78/1138558278.db2.gz LUEIKZDQTGCNKR-CHWSQXEVSA-N 1 2 329.391 3.757 20 0 EHADLO Cc1[nH]nc2ncc(C[N@@H+]3CC[C@](F)(c4cc(C)cc(F)c4)C3)cc12 ZINC000337405483 1138558598 /nfs/dbraw/zinc/55/85/98/1138558598.db2.gz NHCWTDMPQSFMTA-LJQANCHMSA-N 1 2 342.393 3.785 20 0 EHADLO Cc1[nH]nc2ncc(C[N@H+]3CC[C@](F)(c4cc(C)cc(F)c4)C3)cc12 ZINC000337405483 1138558599 /nfs/dbraw/zinc/55/85/99/1138558599.db2.gz NHCWTDMPQSFMTA-LJQANCHMSA-N 1 2 342.393 3.785 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337424327 1138564788 /nfs/dbraw/zinc/56/47/88/1138564788.db2.gz VZPLYLCSLPPKLI-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337424327 1138564790 /nfs/dbraw/zinc/56/47/90/1138564790.db2.gz VZPLYLCSLPPKLI-UHFFFAOYSA-N 1 2 326.415 3.748 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000337437228 1138569237 /nfs/dbraw/zinc/56/92/37/1138569237.db2.gz IKOIFFVRZCIQCF-UONOGXRCSA-N 1 2 338.521 3.883 20 0 EHADLO CC(C)[C@@H](C)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000337437228 1138569239 /nfs/dbraw/zinc/56/92/39/1138569239.db2.gz IKOIFFVRZCIQCF-UONOGXRCSA-N 1 2 338.521 3.883 20 0 EHADLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337448995 1138572224 /nfs/dbraw/zinc/57/22/24/1138572224.db2.gz JQTRJEBTNRHVSD-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337448995 1138572226 /nfs/dbraw/zinc/57/22/26/1138572226.db2.gz JQTRJEBTNRHVSD-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO O=C(c1csc2ccccc12)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337566177 1138607274 /nfs/dbraw/zinc/60/72/74/1138607274.db2.gz BIIVLDXMGWILRD-QGZVFWFLSA-N 1 2 340.423 3.827 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)ccc1Cl ZINC000337566660 1138607757 /nfs/dbraw/zinc/60/77/57/1138607757.db2.gz BNHMQYKENOHGBI-KRWDZBQOSA-N 1 2 332.806 3.574 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3CCc4ccsc4C3)co2)cc1 ZINC000132973881 1138614243 /nfs/dbraw/zinc/61/42/43/1138614243.db2.gz BGSLBDDIKBBYQL-UHFFFAOYSA-N 1 2 326.421 3.970 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3CCc4ccsc4C3)co2)cc1 ZINC000132973881 1138614244 /nfs/dbraw/zinc/61/42/44/1138614244.db2.gz BGSLBDDIKBBYQL-UHFFFAOYSA-N 1 2 326.421 3.970 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000337621184 1138623623 /nfs/dbraw/zinc/62/36/23/1138623623.db2.gz OQSPNLJNYHJMQE-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO O=C(c1occc1-c1ccc(F)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000337621184 1138623624 /nfs/dbraw/zinc/62/36/24/1138623624.db2.gz OQSPNLJNYHJMQE-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO Cn1c[nH+]cc1CNc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000133316120 1138632856 /nfs/dbraw/zinc/63/28/56/1138632856.db2.gz GMQBJOLAUPDUJU-QHCPKHFHSA-N 1 2 331.485 3.614 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264783986 1138638643 /nfs/dbraw/zinc/63/86/43/1138638643.db2.gz QCZLXPQVKABBTH-OKZBNKHCSA-N 1 2 338.455 3.635 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000302006709 1138691288 /nfs/dbraw/zinc/69/12/88/1138691288.db2.gz DRPCVEIPSGHUHJ-KRWDZBQOSA-N 1 2 342.443 3.684 20 0 EHADLO Cc1cccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1C ZINC000348464832 1138706050 /nfs/dbraw/zinc/70/60/50/1138706050.db2.gz MGSXYXFRBGEFBA-UHFFFAOYSA-N 1 2 346.434 3.688 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000338032319 1138728802 /nfs/dbraw/zinc/72/88/02/1138728802.db2.gz VLXDHYUHSLQBLM-WPRPVWTQSA-N 1 2 330.379 3.624 20 0 EHADLO Cc1nc(NC(=O)CCn2cc[nH+]c2)sc1Cc1ccc(C)cc1 ZINC000338061489 1138737592 /nfs/dbraw/zinc/73/75/92/1138737592.db2.gz WDQJIQJICZHRKC-UHFFFAOYSA-N 1 2 340.452 3.576 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000265231944 1138774818 /nfs/dbraw/zinc/77/48/18/1138774818.db2.gz HOPLVCBREAKPLK-GOSISDBHSA-N 1 2 325.456 3.830 20 0 EHADLO Brc1ccc(C[NH2+]C2(c3nccs3)CCCC2)nc1 ZINC000265282451 1138795106 /nfs/dbraw/zinc/79/51/06/1138795106.db2.gz XMDNIYWAEJOCRM-UHFFFAOYSA-N 1 2 338.274 3.860 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccccc1OC(C)C ZINC000338317690 1138830697 /nfs/dbraw/zinc/83/06/97/1138830697.db2.gz OEKTZMHKZASPTB-UHFFFAOYSA-N 1 2 346.496 3.674 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccccc1OC(C)C ZINC000338317690 1138830698 /nfs/dbraw/zinc/83/06/98/1138830698.db2.gz OEKTZMHKZASPTB-UHFFFAOYSA-N 1 2 346.496 3.674 20 0 EHADLO COCCOc1cccc(CNc2c[nH+]ccc2OC(C)(C)C)c1 ZINC000338328292 1138835499 /nfs/dbraw/zinc/83/54/99/1138835499.db2.gz DDGXUVMHXVEGBE-UHFFFAOYSA-N 1 2 330.428 3.896 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137294325 1138844612 /nfs/dbraw/zinc/84/46/12/1138844612.db2.gz SRLWITQSCMKPSS-INIZCTEOSA-N 1 2 344.459 3.530 20 0 EHADLO Cc1cc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000265388604 1138846511 /nfs/dbraw/zinc/84/65/11/1138846511.db2.gz SWWWIJAOUKFNBT-CYBMUJFWSA-N 1 2 338.411 3.792 20 0 EHADLO Cc1cc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000265388608 1138846892 /nfs/dbraw/zinc/84/68/92/1138846892.db2.gz SWWWIJAOUKFNBT-ZDUSSCGKSA-N 1 2 338.411 3.792 20 0 EHADLO CCC(CC)C(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265389503 1138848006 /nfs/dbraw/zinc/84/80/06/1138848006.db2.gz TXPPQBXHUHQGEN-UHFFFAOYSA-N 1 2 330.476 3.502 20 0 EHADLO CC(C)C[N@@H+](Cc1noc(C(C)C)n1)C[C@H](O)c1ccc(F)cc1 ZINC000265449912 1138902707 /nfs/dbraw/zinc/90/27/07/1138902707.db2.gz TXPYRLSSOPGVBM-INIZCTEOSA-N 1 2 335.423 3.524 20 0 EHADLO CC(C)C[N@H+](Cc1noc(C(C)C)n1)C[C@H](O)c1ccc(F)cc1 ZINC000265449912 1138902715 /nfs/dbraw/zinc/90/27/15/1138902715.db2.gz TXPYRLSSOPGVBM-INIZCTEOSA-N 1 2 335.423 3.524 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338462498 1138927107 /nfs/dbraw/zinc/92/71/07/1138927107.db2.gz QBRYORKEIMEGMO-HOCLYGCPSA-N 1 2 344.434 3.637 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(Oc3ccccn3)CC2)cs1 ZINC000348486895 1138929519 /nfs/dbraw/zinc/92/95/19/1138929519.db2.gz XMIZALMNKDPAGG-UHFFFAOYSA-N 1 2 331.485 3.924 20 0 EHADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000151674409 1139051823 /nfs/dbraw/zinc/05/18/23/1139051823.db2.gz KJNBASYIHYFHLC-KEYYUXOJSA-N 1 2 346.862 3.890 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000152333387 1139085808 /nfs/dbraw/zinc/08/58/08/1139085808.db2.gz WJKANVJUYHRGJS-INIZCTEOSA-N 1 2 341.455 3.593 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000152333387 1139085815 /nfs/dbraw/zinc/08/58/15/1139085815.db2.gz WJKANVJUYHRGJS-INIZCTEOSA-N 1 2 341.455 3.593 20 0 EHADLO CC(C)[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152597158 1139099217 /nfs/dbraw/zinc/09/92/17/1139099217.db2.gz KZOWBHZXYNWEGQ-RTBURBONSA-N 1 2 337.467 3.606 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1)CCC2 ZINC000152653702 1139102605 /nfs/dbraw/zinc/10/26/05/1139102605.db2.gz RNBMLJYKMNWVOC-HNNXBMFYSA-N 1 2 329.469 3.653 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1)CCC2 ZINC000152653702 1139102612 /nfs/dbraw/zinc/10/26/12/1139102612.db2.gz RNBMLJYKMNWVOC-HNNXBMFYSA-N 1 2 329.469 3.653 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000152683880 1139103532 /nfs/dbraw/zinc/10/35/32/1139103532.db2.gz SAQCWWZAURSVTK-SFHVURJKSA-N 1 2 338.455 3.652 20 0 EHADLO CC1(C)C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000152683987 1139103652 /nfs/dbraw/zinc/10/36/52/1139103652.db2.gz SAQCWWZAURSVTK-GOSISDBHSA-N 1 2 338.455 3.652 20 0 EHADLO Cc1cccc(NC2CC[NH+](Cc3nc(CC(C)C)no3)CC2)c1 ZINC000153057235 1139120846 /nfs/dbraw/zinc/12/08/46/1139120846.db2.gz DRMOHZJCYQBRHT-UHFFFAOYSA-N 1 2 328.460 3.653 20 0 EHADLO CC[C@](C)(NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC000889542849 1139228088 /nfs/dbraw/zinc/22/80/88/1139228088.db2.gz IEOQVRXTECWNKR-BXWFABGCSA-N 1 2 330.476 3.683 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1Cc2ccccc2C1 ZINC000889558147 1139233612 /nfs/dbraw/zinc/23/36/12/1139233612.db2.gz BLWVWDSEAAYOJZ-IYARVYRRSA-N 1 2 336.439 3.530 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC000826680106 1139313284 /nfs/dbraw/zinc/31/32/84/1139313284.db2.gz CYDZCDNYRIXBNA-MRXNPFEDSA-N 1 2 334.341 3.680 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC000826680106 1139313290 /nfs/dbraw/zinc/31/32/90/1139313290.db2.gz CYDZCDNYRIXBNA-MRXNPFEDSA-N 1 2 334.341 3.680 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429571716 1139315064 /nfs/dbraw/zinc/31/50/64/1139315064.db2.gz ZWFSJUVHOJGNNK-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429571716 1139315071 /nfs/dbraw/zinc/31/50/71/1139315071.db2.gz ZWFSJUVHOJGNNK-UHFFFAOYSA-N 1 2 343.492 3.526 20 0 EHADLO CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000890250372 1139330502 /nfs/dbraw/zinc/33/05/02/1139330502.db2.gz GDAMCGLJYMAEGZ-ZWKOTPCHSA-N 1 2 340.471 3.845 20 0 EHADLO CC(C)[C@H](C)N(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000890259200 1139333196 /nfs/dbraw/zinc/33/31/96/1139333196.db2.gz RTPWAQLYITXEJQ-LPHOPBHVSA-N 1 2 340.471 3.843 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@H]1C1CCC1 ZINC000890262585 1139334859 /nfs/dbraw/zinc/33/48/59/1139334859.db2.gz PAEFNIQSJGHLMN-MOPGFXCFSA-N 1 2 338.455 3.599 20 0 EHADLO CC(C)c1nc(C2([NH2+]C[C@H](O)c3ccccc3Cl)CCCC2)no1 ZINC000174243778 1139408635 /nfs/dbraw/zinc/40/86/35/1139408635.db2.gz CIBAXZDEKYUIGX-HNNXBMFYSA-N 1 2 349.862 3.939 20 0 EHADLO CCCCO[C@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1(C)C ZINC000777289774 1139464591 /nfs/dbraw/zinc/46/45/91/1139464591.db2.gz JJYQREOTRMDFAY-CVEARBPZSA-N 1 2 338.517 3.703 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175138260 1139466263 /nfs/dbraw/zinc/46/62/63/1139466263.db2.gz NZJJLLMJBNBMKH-GOSISDBHSA-N 1 2 341.455 3.590 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175138260 1139466265 /nfs/dbraw/zinc/46/62/65/1139466265.db2.gz NZJJLLMJBNBMKH-GOSISDBHSA-N 1 2 341.455 3.590 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000175181746 1139470138 /nfs/dbraw/zinc/47/01/38/1139470138.db2.gz HXAALPPIZGVDLJ-MSOLQXFVSA-N 1 2 342.487 3.546 20 0 EHADLO CCc1cc2c(C[NH2+][C@H](C)c3ncc(C)s3)cc(=O)oc2cc1O ZINC000175238792 1139474763 /nfs/dbraw/zinc/47/47/63/1139474763.db2.gz XJWBLJDKWYTSBP-LLVKDONJSA-N 1 2 344.436 3.677 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)s1 ZINC000175246400 1139475554 /nfs/dbraw/zinc/47/55/54/1139475554.db2.gz KZIJFSDHSPTJDT-VHSXEESVSA-N 1 2 341.839 3.922 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175255800 1139476306 /nfs/dbraw/zinc/47/63/06/1139476306.db2.gz XVGXHBWXZSAHDR-OLZOCXBDSA-N 1 2 333.457 3.528 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCS1 ZINC000350681748 1139524870 /nfs/dbraw/zinc/52/48/70/1139524870.db2.gz LYIMXMLEQIQKFB-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCS1 ZINC000350681748 1139524875 /nfs/dbraw/zinc/52/48/75/1139524875.db2.gz LYIMXMLEQIQKFB-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2c(F)cccc2F)cc1OC ZINC000178498868 1139699186 /nfs/dbraw/zinc/69/91/86/1139699186.db2.gz ULSNLJYJFLNIDH-JTQLQIEISA-N 1 2 325.330 3.972 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000179668233 1139773907 /nfs/dbraw/zinc/77/39/07/1139773907.db2.gz XAMCJXDBJJVCMV-LLVKDONJSA-N 1 2 349.228 3.766 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000179668233 1139773912 /nfs/dbraw/zinc/77/39/12/1139773912.db2.gz XAMCJXDBJJVCMV-LLVKDONJSA-N 1 2 349.228 3.766 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(C2CC2)no1 ZINC000179761936 1139780179 /nfs/dbraw/zinc/78/01/79/1139780179.db2.gz QFBYOZGOVIIGPJ-APPDUMDISA-N 1 2 341.411 3.520 20 0 EHADLO Cn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(Cl)cc1 ZINC000180426683 1139832937 /nfs/dbraw/zinc/83/29/37/1139832937.db2.gz FCVYJIVYAKYXHW-UHFFFAOYSA-N 1 2 333.848 3.514 20 0 EHADLO Cn1c(SCCCn2cc[nH+]c2)nnc1-c1ccccc1Cl ZINC000180427065 1139833593 /nfs/dbraw/zinc/83/35/93/1139833593.db2.gz LLCQKQPNNIHQBW-UHFFFAOYSA-N 1 2 333.848 3.514 20 0 EHADLO CC[C@@H](C)[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180826789 1139865782 /nfs/dbraw/zinc/86/57/82/1139865782.db2.gz YTCHLIURMSEILU-SJORKVTESA-N 1 2 331.504 3.829 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nccs2)c(Br)c1 ZINC000181544334 1139914035 /nfs/dbraw/zinc/91/40/35/1139914035.db2.gz STIGAHOEPOZLPN-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO COCc1noc([C@H](C)[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000182344024 1139966341 /nfs/dbraw/zinc/96/63/41/1139966341.db2.gz XQSLEUGVKNIQIR-HNNXBMFYSA-N 1 2 327.428 3.683 20 0 EHADLO COCc1noc([C@H](C)[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)n1 ZINC000182344024 1139966344 /nfs/dbraw/zinc/96/63/44/1139966344.db2.gz XQSLEUGVKNIQIR-HNNXBMFYSA-N 1 2 327.428 3.683 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cnn1C ZINC000183343762 1140031351 /nfs/dbraw/zinc/03/13/51/1140031351.db2.gz NXPTXKNFHGVDJA-GHMZBOCLSA-N 1 2 345.834 3.844 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)s1 ZINC000183971215 1140070797 /nfs/dbraw/zinc/07/07/97/1140070797.db2.gz SLGVQVJRFQFRHG-JTQLQIEISA-N 1 2 339.411 3.582 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c(C)c1 ZINC000184159218 1140083667 /nfs/dbraw/zinc/08/36/67/1140083667.db2.gz ZVUJDAGIWKLYPF-SFHVURJKSA-N 1 2 344.455 3.838 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CCc4c(Cl)cccc4C3)on2)cnn1C ZINC000184568911 1140109169 /nfs/dbraw/zinc/10/91/69/1140109169.db2.gz NQIMWKOGECZQSY-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CCc4c(Cl)cccc4C3)on2)cnn1C ZINC000184568911 1140109173 /nfs/dbraw/zinc/10/91/73/1140109173.db2.gz NQIMWKOGECZQSY-UHFFFAOYSA-N 1 2 342.830 3.595 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1C)c1ccco1 ZINC000184619465 1140111875 /nfs/dbraw/zinc/11/18/75/1140111875.db2.gz CVVBWCBRPDWDKP-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1)c1ccc(C)o1 ZINC000184634837 1140112905 /nfs/dbraw/zinc/11/29/05/1140112905.db2.gz FUUGFRWMMZRNLG-NVXWUHKLSA-N 1 2 330.428 3.509 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)=O)cs1 ZINC000184747922 1140118815 /nfs/dbraw/zinc/11/88/15/1140118815.db2.gz VMOYSTDWEZLHLK-VXGBXAGGSA-N 1 2 345.468 3.586 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(C)o1 ZINC000184759106 1140119438 /nfs/dbraw/zinc/11/94/38/1140119438.db2.gz VRKZREAWLRLCSD-KRWDZBQOSA-N 1 2 344.455 3.936 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000184974577 1140128521 /nfs/dbraw/zinc/12/85/21/1140128521.db2.gz GVMXMQGAPUIWTP-NEPJUHHUSA-N 1 2 337.876 3.633 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984925 1140129641 /nfs/dbraw/zinc/12/96/41/1140129641.db2.gz WCMGHJHFGVTISX-LBPRGKRZSA-N 1 2 330.819 3.922 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984925 1140129644 /nfs/dbraw/zinc/12/96/44/1140129644.db2.gz WCMGHJHFGVTISX-LBPRGKRZSA-N 1 2 330.819 3.922 20 0 EHADLO CCCN(CCc1cccs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185080919 1140135092 /nfs/dbraw/zinc/13/50/92/1140135092.db2.gz SUJQXKMVAWUWOO-UHFFFAOYSA-N 1 2 342.468 3.560 20 0 EHADLO Clc1cccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000185644541 1140160205 /nfs/dbraw/zinc/16/02/05/1140160205.db2.gz QUXYYASKJJUOKR-QGZVFWFLSA-N 1 2 327.815 3.561 20 0 EHADLO Cc1cc2occ(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000186095870 1140186276 /nfs/dbraw/zinc/18/62/76/1140186276.db2.gz FVDLLHPFSFHKCL-UGSOOPFHSA-N 1 2 337.423 3.969 20 0 EHADLO C[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C1(C(N)=O)CCCC1 ZINC000187336413 1140250476 /nfs/dbraw/zinc/25/04/76/1140250476.db2.gz NYLKXYWNUDOGBA-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO C[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)C1(C(N)=O)CCCC1 ZINC000187336413 1140250482 /nfs/dbraw/zinc/25/04/82/1140250482.db2.gz NYLKXYWNUDOGBA-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000187992125 1140279649 /nfs/dbraw/zinc/27/96/49/1140279649.db2.gz MWGPXLGCYAMARE-KURKYZTESA-N 1 2 329.488 3.503 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000189984254 1140376586 /nfs/dbraw/zinc/37/65/86/1140376586.db2.gz DSNDIHXSVBGEPX-MRXNPFEDSA-N 1 2 347.503 3.605 20 0 EHADLO CC1(C)C[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC(C)(C)O1 ZINC000190542369 1140408430 /nfs/dbraw/zinc/40/84/30/1140408430.db2.gz XIBYQCRPDVBPOB-UHFFFAOYSA-N 1 2 335.835 3.779 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190696945 1140414396 /nfs/dbraw/zinc/41/43/96/1140414396.db2.gz UFGYVYLROQECCN-HNNXBMFYSA-N 1 2 337.423 3.740 20 0 EHADLO COc1ccnc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1OC ZINC000190964299 1140427965 /nfs/dbraw/zinc/42/79/65/1140427965.db2.gz OCLQNNTVFUKAIW-UHFFFAOYSA-N 1 2 330.428 3.518 20 0 EHADLO COc1ccnc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1OC ZINC000190964299 1140427967 /nfs/dbraw/zinc/42/79/67/1140427967.db2.gz OCLQNNTVFUKAIW-UHFFFAOYSA-N 1 2 330.428 3.518 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cn1 ZINC000191346394 1140456983 /nfs/dbraw/zinc/45/69/83/1140456983.db2.gz CNMYLTMVVRCUTD-UHFFFAOYSA-N 1 2 342.468 3.933 20 0 EHADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(Br)o1)n2C ZINC000191503367 1140468152 /nfs/dbraw/zinc/46/81/52/1140468152.db2.gz ZWZKLUFVKYHYFC-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000191912497 1140493275 /nfs/dbraw/zinc/49/32/75/1140493275.db2.gz WCQMPHJYLHCUQT-UHFFFAOYSA-N 1 2 349.866 3.746 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C)c1F ZINC000191928410 1140494080 /nfs/dbraw/zinc/49/40/80/1140494080.db2.gz CTYRYEHUTYWSMD-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO CCc1noc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192082834 1140501678 /nfs/dbraw/zinc/50/16/78/1140501678.db2.gz NSMAKBUGKBIBRS-JBCWJZNQSA-N 1 2 339.798 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(F)cc1F ZINC000192245908 1140513711 /nfs/dbraw/zinc/51/37/11/1140513711.db2.gz UHUIMOAFEMGGSB-UHFFFAOYSA-N 1 2 335.398 3.585 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1coc2ccccc12 ZINC000192250793 1140513865 /nfs/dbraw/zinc/51/38/65/1140513865.db2.gz YMYLVJIYFOIORH-UHFFFAOYSA-N 1 2 325.412 3.744 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000192781767 1140550136 /nfs/dbraw/zinc/55/01/36/1140550136.db2.gz TUVHZEMDCIGKRW-ZDUSSCGKSA-N 1 2 342.365 3.785 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000193151106 1140565454 /nfs/dbraw/zinc/56/54/54/1140565454.db2.gz HHGCLMZWECNHPN-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000266338475 1140670446 /nfs/dbraw/zinc/67/04/46/1140670446.db2.gz XQAOOPCAOYFFSP-UHFFFAOYSA-N 1 2 344.434 3.567 20 0 EHADLO CC1(C)CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000266673053 1140714030 /nfs/dbraw/zinc/71/40/30/1140714030.db2.gz OEIGZCYNNDEMLL-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccn(C)c3)cs2)cc1 ZINC000267134461 1140761482 /nfs/dbraw/zinc/76/14/82/1140761482.db2.gz WLEQBKOGENHTPL-UHFFFAOYSA-N 1 2 327.453 3.659 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000267153346 1140763518 /nfs/dbraw/zinc/76/35/18/1140763518.db2.gz FDJNCRQGKJMXKZ-SECBINFHSA-N 1 2 326.227 3.520 20 0 EHADLO CC[C@@H](C(=O)NCc1[nH]c[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000267764634 1140829731 /nfs/dbraw/zinc/82/97/31/1140829731.db2.gz DQGZNZHRJLDDPM-CYBMUJFWSA-N 1 2 325.334 3.547 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000268389214 1140931712 /nfs/dbraw/zinc/93/17/12/1140931712.db2.gz QALUPJTYTXPDKM-JKIFEVAISA-N 1 2 331.847 3.750 20 0 EHADLO CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268527240 1140951762 /nfs/dbraw/zinc/95/17/62/1140951762.db2.gz HVVIZIUIDQPGKI-UHFFFAOYSA-N 1 2 340.402 3.594 20 0 EHADLO COCc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)o1 ZINC000270271216 1141200112 /nfs/dbraw/zinc/20/01/12/1141200112.db2.gz XTCIIOUIXDJTPK-UHFFFAOYSA-N 1 2 335.407 3.953 20 0 EHADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000270920652 1141283259 /nfs/dbraw/zinc/28/32/59/1141283259.db2.gz FKYIQFQEIVOLEP-QWHCGFSZSA-N 1 2 339.361 3.600 20 0 EHADLO COc1ccccc1C[N@H+](Cc1c(C)nc2sc(C)nn12)C1CC1 ZINC000271034556 1141297727 /nfs/dbraw/zinc/29/77/27/1141297727.db2.gz FKFSNPHSLSVHHP-UHFFFAOYSA-N 1 2 342.468 3.581 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1c(C)nc2sc(C)nn12)C1CC1 ZINC000271034556 1141297730 /nfs/dbraw/zinc/29/77/30/1141297730.db2.gz FKFSNPHSLSVHHP-UHFFFAOYSA-N 1 2 342.468 3.581 20 0 EHADLO COCc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000271112073 1141308973 /nfs/dbraw/zinc/30/89/73/1141308973.db2.gz DWMHZWUBEWTBOD-GOSISDBHSA-N 1 2 325.412 3.650 20 0 EHADLO COCc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000271112073 1141308979 /nfs/dbraw/zinc/30/89/79/1141308979.db2.gz DWMHZWUBEWTBOD-GOSISDBHSA-N 1 2 325.412 3.650 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000271226699 1141328729 /nfs/dbraw/zinc/32/87/29/1141328729.db2.gz AXGXZWGPAIMBLH-MRXNPFEDSA-N 1 2 337.345 3.560 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271289458 1141340399 /nfs/dbraw/zinc/34/03/99/1141340399.db2.gz FFKPFSAUKKDZIY-DLBZAZTESA-N 1 2 346.434 3.594 20 0 EHADLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271292874 1141340729 /nfs/dbraw/zinc/34/07/29/1141340729.db2.gz COPRAVWOTITOFM-MRXNPFEDSA-N 1 2 346.434 3.708 20 0 EHADLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000271395317 1141357220 /nfs/dbraw/zinc/35/72/20/1141357220.db2.gz UQQKLKWEJWCGRB-BBOMDTFKSA-N 1 2 338.455 3.584 20 0 EHADLO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000271395317 1141357227 /nfs/dbraw/zinc/35/72/27/1141357227.db2.gz UQQKLKWEJWCGRB-BBOMDTFKSA-N 1 2 338.455 3.584 20 0 EHADLO CC[C@@H]1CC[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000271398133 1141357249 /nfs/dbraw/zinc/35/72/49/1141357249.db2.gz LAWFUWKCSWWPFA-DOTOQJQBSA-N 1 2 330.476 3.544 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000274016804 1141462905 /nfs/dbraw/zinc/46/29/05/1141462905.db2.gz MITRBTLUYNORKS-UHFFFAOYSA-N 1 2 343.496 3.930 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(F)ccc3Br)ccc2[nH+]1 ZINC000339119444 1141502595 /nfs/dbraw/zinc/50/25/95/1141502595.db2.gz RUZIOZJQDLVQKO-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348650572 1141562291 /nfs/dbraw/zinc/56/22/91/1141562291.db2.gz YORKLEUIXRKNNS-FQEVSTJZSA-N 1 2 331.419 3.796 20 0 EHADLO COc1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1OC(C)C ZINC000348871049 1141601012 /nfs/dbraw/zinc/60/10/12/1141601012.db2.gz VXDYQMBCGRWDLK-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO COc1cccc(C[N@H+]2CCOc3cc(O)ccc3C2)c1OC(C)C ZINC000348871049 1141601015 /nfs/dbraw/zinc/60/10/15/1141601015.db2.gz VXDYQMBCGRWDLK-UHFFFAOYSA-N 1 2 343.423 3.583 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccn1 ZINC000349034834 1141625224 /nfs/dbraw/zinc/62/52/24/1141625224.db2.gz GJJIROPSQHIQNZ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccn1 ZINC000349034834 1141625230 /nfs/dbraw/zinc/62/52/30/1141625230.db2.gz GJJIROPSQHIQNZ-UHFFFAOYSA-N 1 2 345.493 3.915 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2C)[nH]1 ZINC000349076729 1141634218 /nfs/dbraw/zinc/63/42/18/1141634218.db2.gz PCEUSVAFCCAHSQ-UHFFFAOYSA-N 1 2 349.434 3.707 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2C)[nH]1 ZINC000349076729 1141634224 /nfs/dbraw/zinc/63/42/24/1141634224.db2.gz PCEUSVAFCCAHSQ-UHFFFAOYSA-N 1 2 349.434 3.707 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000098076398 219079584 /nfs/dbraw/zinc/07/95/84/219079584.db2.gz REYVOCNQXVEYQP-CXAGYDPISA-N 1 2 343.496 3.899 20 0 EHADLO CC[C@@H](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000098076398 219079586 /nfs/dbraw/zinc/07/95/86/219079586.db2.gz REYVOCNQXVEYQP-CXAGYDPISA-N 1 2 343.496 3.899 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)ccc1F ZINC000072649682 216288545 /nfs/dbraw/zinc/28/85/45/216288545.db2.gz BHWMPPALFVFRPM-UHFFFAOYSA-N 1 2 337.395 3.660 20 0 EHADLO O=C(c1ccco1)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000007813151 210850232 /nfs/dbraw/zinc/85/02/32/210850232.db2.gz GGPPWAIJTWXHHP-UHFFFAOYSA-N 1 2 346.430 3.905 20 0 EHADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000097437932 219025077 /nfs/dbraw/zinc/02/50/77/219025077.db2.gz OTLNZPOWCFJXPD-QGZVFWFLSA-N 1 2 339.826 3.894 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000122064444 222007506 /nfs/dbraw/zinc/00/75/06/222007506.db2.gz IMKWHEFHPVBITN-GOSISDBHSA-N 1 2 333.863 3.905 20 0 EHADLO CC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000122064444 222007509 /nfs/dbraw/zinc/00/75/09/222007509.db2.gz IMKWHEFHPVBITN-GOSISDBHSA-N 1 2 333.863 3.905 20 0 EHADLO Cc1cccc2[nH+]c(CNc3nccn4nc(C5CCC5)cc34)cn21 ZINC000631113326 479901628 /nfs/dbraw/zinc/90/16/28/479901628.db2.gz GAKPSMKLPVMSFC-UHFFFAOYSA-N 1 2 332.411 3.565 20 0 EHADLO COc1c(C)nc(C2CC2)nc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000514678781 479047278 /nfs/dbraw/zinc/04/72/78/479047278.db2.gz FXSNISDGEMQUSM-UHFFFAOYSA-N 1 2 349.438 3.528 20 0 EHADLO COc1ccc(Br)cc1C[NH2+]Cc1nc(C)cs1 ZINC000037988411 523502493 /nfs/dbraw/zinc/50/24/93/523502493.db2.gz ZWSQFBOJNODAOS-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259583 601638332 /nfs/dbraw/zinc/63/83/32/601638332.db2.gz YNSUNFKKLNRCOJ-NVXWUHKLSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259583 601638333 /nfs/dbraw/zinc/63/83/33/601638333.db2.gz YNSUNFKKLNRCOJ-NVXWUHKLSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259583 601638335 /nfs/dbraw/zinc/63/83/35/601638335.db2.gz YNSUNFKKLNRCOJ-NVXWUHKLSA-N 1 2 348.462 3.610 20 0 EHADLO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828259583 601638336 /nfs/dbraw/zinc/63/83/36/601638336.db2.gz YNSUNFKKLNRCOJ-NVXWUHKLSA-N 1 2 348.462 3.610 20 0 EHADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826351519 608729157 /nfs/dbraw/zinc/72/91/57/608729157.db2.gz PQVCVUNYHXUYTQ-ZDUSSCGKSA-N 1 2 331.832 3.529 20 0 EHADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826351519 608729158 /nfs/dbraw/zinc/72/91/58/608729158.db2.gz PQVCVUNYHXUYTQ-ZDUSSCGKSA-N 1 2 331.832 3.529 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530471 609327323 /nfs/dbraw/zinc/32/73/23/609327323.db2.gz LXRWPCYSBCBONF-NXEZZACHSA-N 1 2 347.344 3.696 20 0 EHADLO CCCNc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000182452213 1032059327 /nfs/dbraw/zinc/05/93/27/1032059327.db2.gz YWIVGUJDMVVZKM-LBPRGKRZSA-N 1 2 341.908 3.538 20 0 EHADLO Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC000528317075 1032067938 /nfs/dbraw/zinc/06/79/38/1032067938.db2.gz GYFOOJOUKAREMR-UHFFFAOYSA-N 1 2 337.345 3.688 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cn(C)nc3C(F)F)[C@@H](C)CO2)c1 ZINC000274509445 1014158254 /nfs/dbraw/zinc/15/82/54/1014158254.db2.gz UTOQKGBQFRWZLC-WMLDXEAASA-N 1 2 349.425 3.937 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)[C@@H](C)CO2)c1 ZINC000274509445 1014158258 /nfs/dbraw/zinc/15/82/58/1014158258.db2.gz UTOQKGBQFRWZLC-WMLDXEAASA-N 1 2 349.425 3.937 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274518929 1014174036 /nfs/dbraw/zinc/17/40/36/1014174036.db2.gz WHFAGIFNFUHKQM-UHFFFAOYSA-N 1 2 338.411 3.554 20 0 EHADLO CSCc1cnc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)s1 ZINC000339325320 1014217527 /nfs/dbraw/zinc/21/75/27/1014217527.db2.gz JBEAOQYLDKIREL-HNNXBMFYSA-N 1 2 347.509 3.594 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000339424997 1014401887 /nfs/dbraw/zinc/40/18/87/1014401887.db2.gz KZAMRCNLVVOKRM-LBPRGKRZSA-N 1 2 326.375 3.728 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)ccn12 ZINC000654857502 1014493982 /nfs/dbraw/zinc/49/39/82/1014493982.db2.gz WFYWMZCBUOZZBF-UONOGXRCSA-N 1 2 339.361 3.741 20 0 EHADLO C[C@@H]1CCCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904498253 1032094454 /nfs/dbraw/zinc/09/44/54/1032094454.db2.gz YFNWFUPHOJLHIQ-CRAIPNDOSA-N 1 2 341.455 3.863 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OC2CCC2)cc1 ZINC000079715727 1032096333 /nfs/dbraw/zinc/09/63/33/1032096333.db2.gz LEEWKKNUMOTADJ-GOSISDBHSA-N 1 2 341.455 3.659 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccccc1OC1CCC1 ZINC000118333072 1032098489 /nfs/dbraw/zinc/09/84/89/1032098489.db2.gz BGROGCSLCLGHIP-UHFFFAOYSA-N 1 2 339.439 3.635 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903622692 980999439 /nfs/dbraw/zinc/99/94/39/980999439.db2.gz MOSSXRFAXMKFRM-UHFFFAOYSA-N 1 2 343.471 3.750 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903622692 980999443 /nfs/dbraw/zinc/99/94/43/980999443.db2.gz MOSSXRFAXMKFRM-UHFFFAOYSA-N 1 2 343.471 3.750 20 0 EHADLO COc1ccc2nc(C[NH2+][C@H]3COc4ccc(C)cc43)sc2c1 ZINC000530493967 1014805955 /nfs/dbraw/zinc/80/59/55/1014805955.db2.gz LDUFEWGAUHSJAY-HNNXBMFYSA-N 1 2 326.421 3.837 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2C)C1 ZINC000728194461 1014940589 /nfs/dbraw/zinc/94/05/89/1014940589.db2.gz LJSAETBFXUYUDN-HZPDHXFCSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@H]2C)C1 ZINC000728194461 1014940595 /nfs/dbraw/zinc/94/05/95/1014940595.db2.gz LJSAETBFXUYUDN-HZPDHXFCSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000728195381 1014940653 /nfs/dbraw/zinc/94/06/53/1014940653.db2.gz QZKYUZPHMIASAD-KRWDZBQOSA-N 1 2 326.415 3.540 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000728195381 1014940660 /nfs/dbraw/zinc/94/06/60/1014940660.db2.gz QZKYUZPHMIASAD-KRWDZBQOSA-N 1 2 326.415 3.540 20 0 EHADLO COCC1=CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000274769590 1015047514 /nfs/dbraw/zinc/04/75/14/1015047514.db2.gz UCFYUWXOYIBXTB-UHFFFAOYSA-N 1 2 333.229 3.780 20 0 EHADLO CSCc1cc(F)ccc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000351966473 1015151828 /nfs/dbraw/zinc/15/18/28/1015151828.db2.gz ZDHTXBKXIPJCPH-UHFFFAOYSA-N 1 2 327.371 3.962 20 0 EHADLO COc1ccccc1-c1ncc(C[N@@H+]2CCc3ccc(F)cc3C2)cn1 ZINC000430246497 1015236315 /nfs/dbraw/zinc/23/63/15/1015236315.db2.gz DSTZQHIPJOVTAS-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO COc1ccccc1-c1ncc(C[N@H+]2CCc3ccc(F)cc3C2)cn1 ZINC000430246497 1015236321 /nfs/dbraw/zinc/23/63/21/1015236321.db2.gz DSTZQHIPJOVTAS-UHFFFAOYSA-N 1 2 349.409 3.850 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000579858089 1015326585 /nfs/dbraw/zinc/32/65/85/1015326585.db2.gz QORNYMDRIOXJNT-QGZVFWFLSA-N 1 2 337.423 3.875 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)ccc1Cl ZINC000655338273 1015369568 /nfs/dbraw/zinc/36/95/68/1015369568.db2.gz BPQHDKJSEKUEGB-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)ccc1Cl ZINC000655338273 1015369578 /nfs/dbraw/zinc/36/95/78/1015369578.db2.gz BPQHDKJSEKUEGB-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1csc(C3CC3)n1)CC2 ZINC000363330822 1015438560 /nfs/dbraw/zinc/43/85/60/1015438560.db2.gz CJEDXOJPVJDFGX-UHFFFAOYSA-N 1 2 326.465 3.824 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1csc(C3CC3)n1)CC2 ZINC000363330822 1015438568 /nfs/dbraw/zinc/43/85/68/1015438568.db2.gz CJEDXOJPVJDFGX-UHFFFAOYSA-N 1 2 326.465 3.824 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)c(F)c1 ZINC000179569729 1015453146 /nfs/dbraw/zinc/45/31/46/1015453146.db2.gz INJDOWOQFMNKOI-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO C[N@H+](Cc1cnn2ccccc12)Cc1ccccc1Br ZINC000179585004 1015462431 /nfs/dbraw/zinc/46/24/31/1015462431.db2.gz ICYHCZHQWJTZHF-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO C[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1Br ZINC000179585004 1015462438 /nfs/dbraw/zinc/46/24/38/1015462438.db2.gz ICYHCZHQWJTZHF-UHFFFAOYSA-N 1 2 330.229 3.729 20 0 EHADLO CCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000339659216 1015476704 /nfs/dbraw/zinc/47/67/04/1015476704.db2.gz VNYMGTPEMSIRCC-UHFFFAOYSA-N 1 2 348.406 3.532 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C)[nH]1 ZINC000339659348 1015476889 /nfs/dbraw/zinc/47/68/89/1015476889.db2.gz YQSVNZJWUAMIRL-INIZCTEOSA-N 1 2 332.831 3.621 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C)[nH]1 ZINC000339659348 1015476898 /nfs/dbraw/zinc/47/68/98/1015476898.db2.gz YQSVNZJWUAMIRL-INIZCTEOSA-N 1 2 332.831 3.621 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001590603128 990264329 /nfs/dbraw/zinc/26/43/29/990264329.db2.gz QBTDHFJJIFYSSZ-ZDUSSCGKSA-N 1 2 347.484 3.777 20 0 EHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001590603128 990264335 /nfs/dbraw/zinc/26/43/35/990264335.db2.gz QBTDHFJJIFYSSZ-ZDUSSCGKSA-N 1 2 347.484 3.777 20 0 EHADLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000179697851 1015556369 /nfs/dbraw/zinc/55/63/69/1015556369.db2.gz BYURUNWTTAMWBY-JQIJEIRASA-N 1 2 326.465 3.609 20 0 EHADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(Cl)cn1 ZINC000274921059 1015652787 /nfs/dbraw/zinc/65/27/87/1015652787.db2.gz PDQXOEZNKOLEOZ-SNVBAGLBSA-N 1 2 345.752 3.922 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792311 1015677901 /nfs/dbraw/zinc/67/79/01/1015677901.db2.gz NVZJNCLQTIMJJW-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792311 1015677905 /nfs/dbraw/zinc/67/79/05/1015677905.db2.gz NVZJNCLQTIMJJW-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc2c(c1)COC2 ZINC000274963211 1015681392 /nfs/dbraw/zinc/68/13/92/1015681392.db2.gz GWSNZTYLGSIWBK-CYBMUJFWSA-N 1 2 330.428 3.871 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc(Cl)c[nH]1 ZINC000339847381 1015744129 /nfs/dbraw/zinc/74/41/29/1015744129.db2.gz NSNSOBSIMSKSQE-UHFFFAOYSA-N 1 2 338.798 3.836 20 0 EHADLO C[NH+]1CCC([N@H+](Cc2cc(C(=O)[O-])cs2)Cc2ccccc2)CC1 ZINC001598585636 993378729 /nfs/dbraw/zinc/37/87/29/993378729.db2.gz ULDZUYGCKNBWIO-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO C[NH+]1CCC([N@@H+](Cc2cc(C(=O)[O-])cs2)Cc2ccccc2)CC1 ZINC001598585636 993378731 /nfs/dbraw/zinc/37/87/31/993378731.db2.gz ULDZUYGCKNBWIO-UHFFFAOYSA-N 1 2 344.480 3.543 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060059736 1015793649 /nfs/dbraw/zinc/79/36/49/1015793649.db2.gz YOCLPYYMQHTSCV-OAHLLOKOSA-N 1 2 334.341 3.707 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060059736 1015793653 /nfs/dbraw/zinc/79/36/53/1015793653.db2.gz YOCLPYYMQHTSCV-OAHLLOKOSA-N 1 2 334.341 3.707 20 0 EHADLO Cc1coc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000339884492 1015813147 /nfs/dbraw/zinc/81/31/47/1015813147.db2.gz QZQUXHOFTYAWKX-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO Cc1coc(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000339884492 1015813159 /nfs/dbraw/zinc/81/31/59/1015813159.db2.gz QZQUXHOFTYAWKX-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO CC(=O)OC(C)(C)CCC[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209159641 1015862968 /nfs/dbraw/zinc/86/29/68/1015862968.db2.gz UVEADXQHFSEAJT-QGZVFWFLSA-N 1 2 339.863 3.835 20 0 EHADLO CC(=O)OC(C)(C)CCC[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209159641 1015862971 /nfs/dbraw/zinc/86/29/71/1015862971.db2.gz UVEADXQHFSEAJT-QGZVFWFLSA-N 1 2 339.863 3.835 20 0 EHADLO CCn1nncc1C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000459447685 1032132320 /nfs/dbraw/zinc/13/23/20/1032132320.db2.gz RBPPJAMJZWFXIC-INIZCTEOSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nncc1C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000459447685 1032132325 /nfs/dbraw/zinc/13/23/25/1032132325.db2.gz RBPPJAMJZWFXIC-INIZCTEOSA-N 1 2 349.276 3.706 20 0 EHADLO CC(C)[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1F ZINC000180442936 1015950567 /nfs/dbraw/zinc/95/05/67/1015950567.db2.gz FETSUCDNTDIHNE-CQSZACIVSA-N 1 2 333.798 3.965 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000339928152 1015961648 /nfs/dbraw/zinc/96/16/48/1015961648.db2.gz WYRCXNQQJXPFMH-CQSZACIVSA-N 1 2 341.430 3.550 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000547769220 1016085623 /nfs/dbraw/zinc/08/56/23/1016085623.db2.gz NRILZOYUKJSXCD-OKILXGFUSA-N 1 2 329.469 3.615 20 0 EHADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000547769220 1016085631 /nfs/dbraw/zinc/08/56/31/1016085631.db2.gz NRILZOYUKJSXCD-OKILXGFUSA-N 1 2 329.469 3.615 20 0 EHADLO c1ccc(Cc2noc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000155059754 1016090283 /nfs/dbraw/zinc/09/02/83/1016090283.db2.gz LHWUXILXFRJVJJ-LJQANCHMSA-N 1 2 348.450 3.737 20 0 EHADLO c1ccc(Cc2noc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000155059754 1016090296 /nfs/dbraw/zinc/09/02/96/1016090296.db2.gz LHWUXILXFRJVJJ-LJQANCHMSA-N 1 2 348.450 3.737 20 0 EHADLO Clc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)s1 ZINC001204437661 1016096281 /nfs/dbraw/zinc/09/62/81/1016096281.db2.gz FHDCLEMHLSBNRK-UHFFFAOYSA-N 1 2 333.844 3.865 20 0 EHADLO Clc1cccc2c1nc(Cl)nc2N1CCC(n2cc[nH+]c2)CC1 ZINC001167123866 1016189304 /nfs/dbraw/zinc/18/93/04/1016189304.db2.gz MDLPKOVZOOEJAK-UHFFFAOYSA-N 1 2 348.237 3.975 20 0 EHADLO Cc1cc(N2CCO[C@@](C)(c3ccc(F)cc3)C2)nc(C(C)(C)C)[nH+]1 ZINC001167141443 1016290356 /nfs/dbraw/zinc/29/03/56/1016290356.db2.gz SQGNQLVFWBVNBL-HXUWFJFHSA-N 1 2 343.446 3.974 20 0 EHADLO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000090232654 1016291576 /nfs/dbraw/zinc/29/15/76/1016291576.db2.gz MUMKIRFDKZFQRI-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO Fc1cc(Cl)cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000275308077 1016353304 /nfs/dbraw/zinc/35/33/04/1016353304.db2.gz RABLMZSDHDSYDU-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1cc(Cl)cc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000275308077 1016353314 /nfs/dbraw/zinc/35/33/14/1016353314.db2.gz RABLMZSDHDSYDU-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000177636799 1016403856 /nfs/dbraw/zinc/40/38/56/1016403856.db2.gz DMANVEHBLBBWQU-OAHLLOKOSA-N 1 2 337.345 3.723 20 0 EHADLO Cc1cc(C)cc(OCC[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000607810289 1016572641 /nfs/dbraw/zinc/57/26/41/1016572641.db2.gz AJYLHSYZEWFGSJ-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO Cc1cc(C)cc(OCC[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000607810289 1016572652 /nfs/dbraw/zinc/57/26/52/1016572652.db2.gz AJYLHSYZEWFGSJ-UHFFFAOYSA-N 1 2 343.452 3.926 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1Cl ZINC000683392844 1016597375 /nfs/dbraw/zinc/59/73/75/1016597375.db2.gz SYOOSSJIUWLETQ-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1Cl ZINC000683392844 1016597388 /nfs/dbraw/zinc/59/73/88/1016597388.db2.gz SYOOSSJIUWLETQ-HNNXBMFYSA-N 1 2 332.835 3.530 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1c(F)cccc1Sc1ccccc1 ZINC000362341066 1016717128 /nfs/dbraw/zinc/71/71/28/1016717128.db2.gz FDMSYAYUXHNEFK-UHFFFAOYSA-N 1 2 341.411 3.640 20 0 EHADLO CC(F)(F)c1cccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000275417050 1016731103 /nfs/dbraw/zinc/73/11/03/1016731103.db2.gz GSYKXUVLKWDGPW-UHFFFAOYSA-N 1 2 334.370 3.653 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000659531744 1016800945 /nfs/dbraw/zinc/80/09/45/1016800945.db2.gz BBJBAWOGNAEBMV-SJLPKXTDSA-N 1 2 327.472 3.892 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCCC4(CCCC4)C3)[nH+]c12 ZINC000782975153 1016920537 /nfs/dbraw/zinc/92/05/37/1016920537.db2.gz YQBXKXWMUPVKJN-UHFFFAOYSA-N 1 2 340.471 3.551 20 0 EHADLO CCC[C@@H](CC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376648751 1016951877 /nfs/dbraw/zinc/95/18/77/1016951877.db2.gz LSZUUROAOFDHMC-JKSUJKDBSA-N 1 2 332.492 3.687 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@H+](C)[C@H](C)c2ccccc2)cs1 ZINC000340335232 1016959819 /nfs/dbraw/zinc/95/98/19/1016959819.db2.gz WLQDRJDUTCLPPJ-CQSZACIVSA-N 1 2 332.469 3.830 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)[C@H](C)c2ccccc2)cs1 ZINC000340335232 1016959827 /nfs/dbraw/zinc/95/98/27/1016959827.db2.gz WLQDRJDUTCLPPJ-CQSZACIVSA-N 1 2 332.469 3.830 20 0 EHADLO CSCc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000376689312 1016974287 /nfs/dbraw/zinc/97/42/87/1016974287.db2.gz MKLRIRITOFDPSH-HNNXBMFYSA-N 1 2 344.484 3.695 20 0 EHADLO Cc1cc(-n2c3nccc-3cc(Br)c2N)ccc1[NH+](C)C ZINC001210043589 1016993612 /nfs/dbraw/zinc/99/36/12/1016993612.db2.gz WPWXWHFZTMXJMQ-UHFFFAOYSA-N 1 2 345.244 3.696 20 0 EHADLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(C(F)(F)F)c1 ZINC001143483510 1017043123 /nfs/dbraw/zinc/04/31/23/1017043123.db2.gz FYEOPUKWMVMEEX-LLVKDONJSA-N 1 2 335.366 3.743 20 0 EHADLO CCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153907815 1032177855 /nfs/dbraw/zinc/17/78/55/1032177855.db2.gz MWTHULVTLBKYSJ-QZTJIDSGSA-N 1 2 338.455 3.601 20 0 EHADLO CC(C)(C)n1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000566135828 1032198014 /nfs/dbraw/zinc/19/80/14/1032198014.db2.gz GNYRJKORDHPXSF-INIZCTEOSA-N 1 2 337.427 3.522 20 0 EHADLO CC[N@H+](Cc1csc(-c2ncccn2)n1)[C@H](C)c1cccc(O)c1 ZINC000080932061 1032208783 /nfs/dbraw/zinc/20/87/83/1032208783.db2.gz VNTSPEIFQDNGPL-CYBMUJFWSA-N 1 2 340.452 3.889 20 0 EHADLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)[C@H](C)c1cccc(O)c1 ZINC000080932061 1032208796 /nfs/dbraw/zinc/20/87/96/1032208796.db2.gz VNTSPEIFQDNGPL-CYBMUJFWSA-N 1 2 340.452 3.889 20 0 EHADLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528402288 1032229394 /nfs/dbraw/zinc/22/93/94/1032229394.db2.gz GNEDXBZDFQUPFO-UHFFFAOYSA-N 1 2 342.842 3.697 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000485012319 1032236976 /nfs/dbraw/zinc/23/69/76/1032236976.db2.gz DTJHEIRCYCTFCB-ZDUSSCGKSA-N 1 2 347.459 3.967 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000485012319 1032236986 /nfs/dbraw/zinc/23/69/86/1032236986.db2.gz DTJHEIRCYCTFCB-ZDUSSCGKSA-N 1 2 347.459 3.967 20 0 EHADLO COCc1cc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)no1 ZINC000459557492 1032276295 /nfs/dbraw/zinc/27/62/95/1032276295.db2.gz LVBNOQOATXVUNO-INIZCTEOSA-N 1 2 338.860 3.841 20 0 EHADLO COCc1cc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)no1 ZINC000459557492 1032276306 /nfs/dbraw/zinc/27/63/06/1032276306.db2.gz LVBNOQOATXVUNO-INIZCTEOSA-N 1 2 338.860 3.841 20 0 EHADLO C[C@@H](CC(=O)NCCCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000536783227 1032279467 /nfs/dbraw/zinc/27/94/67/1032279467.db2.gz IWECEJJFBPDYIJ-OAHLLOKOSA-N 1 2 333.863 3.702 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)n1 ZINC000528447918 1032290593 /nfs/dbraw/zinc/29/05/93/1032290593.db2.gz IRUYQYCGUZJBMP-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO Cn1cc([C@H]([NH2+]Cc2cnc(Cl)s2)c2ccc(F)cc2)cn1 ZINC000184602717 1032305821 /nfs/dbraw/zinc/30/58/21/1032305821.db2.gz POYCCWUVHHDWSI-CQSZACIVSA-N 1 2 336.823 3.548 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H](C)c3c(F)cccc3Cl)[nH+]c12 ZINC000081382032 1032307728 /nfs/dbraw/zinc/30/77/28/1032307728.db2.gz QSQMWJRHTJPNNF-GFCCVEGCSA-N 1 2 345.805 3.855 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)C(C)(F)F)n2)CC1 ZINC000449212742 1032318962 /nfs/dbraw/zinc/31/89/62/1032318962.db2.gz VHZDMZAWRGTXOG-UHFFFAOYSA-N 1 2 345.459 3.995 20 0 EHADLO Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)s1 ZINC000635534432 1032324366 /nfs/dbraw/zinc/32/43/66/1032324366.db2.gz ZEDIUXLWIFLZOT-ZFWWWQNUSA-N 1 2 334.489 3.763 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000528481000 1032330138 /nfs/dbraw/zinc/33/01/38/1032330138.db2.gz JLCOHBSVWUUZGE-SECBINFHSA-N 1 2 348.251 3.841 20 0 EHADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000536843362 1032336859 /nfs/dbraw/zinc/33/68/59/1032336859.db2.gz DYEYHGQZLQZOJL-HOTGVXAUSA-N 1 2 336.439 3.996 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000538438310 1032364533 /nfs/dbraw/zinc/36/45/33/1032364533.db2.gz YUEZCJROKSNZGL-KRWDZBQOSA-N 1 2 326.444 3.704 20 0 EHADLO Cc1nc(C)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000081850498 1032374959 /nfs/dbraw/zinc/37/49/59/1032374959.db2.gz SZWGMMBDYICANL-UHFFFAOYSA-N 1 2 346.481 3.588 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000195210066 1032386176 /nfs/dbraw/zinc/38/61/76/1032386176.db2.gz ANWJDHVRCKAVPJ-UHFFFAOYSA-N 1 2 343.471 3.591 20 0 EHADLO CSc1ccc(F)cc1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000343782308 1032420046 /nfs/dbraw/zinc/42/00/46/1032420046.db2.gz LPWOQDZAYQFXAW-UHFFFAOYSA-N 1 2 344.415 3.825 20 0 EHADLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000102519271 1032426778 /nfs/dbraw/zinc/42/67/78/1032426778.db2.gz UQIFZBAVLWGBJO-LBPRGKRZSA-N 1 2 338.354 3.730 20 0 EHADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000102519271 1032426786 /nfs/dbraw/zinc/42/67/86/1032426786.db2.gz UQIFZBAVLWGBJO-LBPRGKRZSA-N 1 2 338.354 3.730 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000459711239 1032439677 /nfs/dbraw/zinc/43/96/77/1032439677.db2.gz QUYXATZWSLWMPB-UHFFFAOYSA-N 1 2 346.475 3.580 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000084598203 1032443936 /nfs/dbraw/zinc/44/39/36/1032443936.db2.gz WEHYTDURHMAZTK-INIZCTEOSA-N 1 2 331.485 3.817 20 0 EHADLO Cc1cc(Br)c(CN2CCn3c[nH+]cc3C2)cc1Cl ZINC000449332039 1032445249 /nfs/dbraw/zinc/44/52/49/1032445249.db2.gz BSCPUTFWBDQHEX-UHFFFAOYSA-N 1 2 340.652 3.623 20 0 EHADLO O=C(C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)NCC(F)(F)F ZINC000459755695 1032448618 /nfs/dbraw/zinc/44/86/18/1032448618.db2.gz SKNHTCGYIHLOSD-INIZCTEOSA-N 1 2 340.389 3.672 20 0 EHADLO O=C(C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)NCC(F)(F)F ZINC000459755695 1032448623 /nfs/dbraw/zinc/44/86/23/1032448623.db2.gz SKNHTCGYIHLOSD-INIZCTEOSA-N 1 2 340.389 3.672 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cs2)c(OC)c1 ZINC000459798093 1032480424 /nfs/dbraw/zinc/48/04/24/1032480424.db2.gz UFCHUTIAXJTZEL-JSGCOSHPSA-N 1 2 348.493 3.517 20 0 EHADLO COc1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cs2)c(OC)c1 ZINC000459798093 1032480430 /nfs/dbraw/zinc/48/04/30/1032480430.db2.gz UFCHUTIAXJTZEL-JSGCOSHPSA-N 1 2 348.493 3.517 20 0 EHADLO CCn1ncnc1C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000528605160 1032490785 /nfs/dbraw/zinc/49/07/85/1032490785.db2.gz JLCMYVSYMLRHEB-UHFFFAOYSA-N 1 2 340.393 3.975 20 0 EHADLO CCn1ncnc1C[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000528605160 1032490789 /nfs/dbraw/zinc/49/07/89/1032490789.db2.gz JLCMYVSYMLRHEB-UHFFFAOYSA-N 1 2 340.393 3.975 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021259 1032487875 /nfs/dbraw/zinc/48/78/75/1032487875.db2.gz NMAOFLIJDZBEJI-LSDHHAIUSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC000537021259 1032487880 /nfs/dbraw/zinc/48/78/80/1032487880.db2.gz NMAOFLIJDZBEJI-LSDHHAIUSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021259 1032487892 /nfs/dbraw/zinc/48/78/92/1032487892.db2.gz NMAOFLIJDZBEJI-LSDHHAIUSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000537021259 1032487895 /nfs/dbraw/zinc/48/78/95/1032487895.db2.gz NMAOFLIJDZBEJI-LSDHHAIUSA-N 1 2 343.471 3.781 20 0 EHADLO Cc1cn2cc(NC(=O)NCC(C)(C)CC(F)(F)F)ccc2[nH+]1 ZINC000665951524 1032492136 /nfs/dbraw/zinc/49/21/36/1032492136.db2.gz NHPPHIRTDHLUJO-UHFFFAOYSA-N 1 2 328.338 3.743 20 0 EHADLO CC(C)n1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cn1 ZINC000278766815 1032495849 /nfs/dbraw/zinc/49/58/49/1032495849.db2.gz UIEAOWBHIIVGBV-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO CC(C)n1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cn1 ZINC000278766815 1032495857 /nfs/dbraw/zinc/49/58/57/1032495857.db2.gz UIEAOWBHIIVGBV-UHFFFAOYSA-N 1 2 334.221 3.715 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cs1 ZINC000537061982 1032497992 /nfs/dbraw/zinc/49/79/92/1032497992.db2.gz DUHHLMROQMHANA-CYBMUJFWSA-N 1 2 348.468 3.958 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCSC(C)(C)C1 ZINC000088548108 1032506576 /nfs/dbraw/zinc/50/65/76/1032506576.db2.gz YRKJGVQYHMPYRN-GFCCVEGCSA-N 1 2 335.448 3.688 20 0 EHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCSC(C)(C)C1 ZINC000088548108 1032506584 /nfs/dbraw/zinc/50/65/84/1032506584.db2.gz YRKJGVQYHMPYRN-GFCCVEGCSA-N 1 2 335.448 3.688 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1F ZINC000537159297 1032540382 /nfs/dbraw/zinc/54/03/82/1032540382.db2.gz MKDMAPKYTCUWQY-GFCCVEGCSA-N 1 2 334.366 3.571 20 0 EHADLO CCC(CC)c1cc(C(=O)NCCCCNc2cccc[nH+]2)on1 ZINC000119041114 1032550813 /nfs/dbraw/zinc/55/08/13/1032550813.db2.gz DYDIMJLFFILWCD-UHFFFAOYSA-N 1 2 330.432 3.595 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC000449418696 1032551635 /nfs/dbraw/zinc/55/16/35/1032551635.db2.gz FATKFKDCSKCLJO-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1c1ccccc1 ZINC000449418696 1032551638 /nfs/dbraw/zinc/55/16/38/1032551638.db2.gz FATKFKDCSKCLJO-MAUKXSAKSA-N 1 2 337.797 3.779 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143455660 1032558878 /nfs/dbraw/zinc/55/88/78/1032558878.db2.gz VSGPQYWEIWRHRM-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143455660 1032558883 /nfs/dbraw/zinc/55/88/83/1032558883.db2.gz VSGPQYWEIWRHRM-INIZCTEOSA-N 1 2 342.405 3.895 20 0 EHADLO C[N@H+](Cc1cccc(O)c1Cl)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449451398 1032568474 /nfs/dbraw/zinc/56/84/74/1032568474.db2.gz IMDZLAVSLZTHKY-AWEZNQCLSA-N 1 2 326.223 3.864 20 0 EHADLO C[N@@H+](Cc1cccc(O)c1Cl)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449451398 1032568478 /nfs/dbraw/zinc/56/84/78/1032568478.db2.gz IMDZLAVSLZTHKY-AWEZNQCLSA-N 1 2 326.223 3.864 20 0 EHADLO CC(C)c1cc(NCCc2n[nH]c(=S)n2C2CC2)nc(C(C)C)[nH+]1 ZINC000090091978 1032571296 /nfs/dbraw/zinc/57/12/96/1032571296.db2.gz CZEYOUZANVJZHK-UHFFFAOYSA-N 1 2 346.504 3.967 20 0 EHADLO Cc1ccccc1[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000537292269 1032599345 /nfs/dbraw/zinc/59/93/45/1032599345.db2.gz XXSASKKIKDLFNO-HNNXBMFYSA-N 1 2 325.334 3.724 20 0 EHADLO COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)ccc1Cl ZINC000602050337 1032607292 /nfs/dbraw/zinc/60/72/92/1032607292.db2.gz VCUWVKQJJCQWIH-OAHLLOKOSA-N 1 2 349.818 3.549 20 0 EHADLO O[C@]1(C(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000449464900 1032613785 /nfs/dbraw/zinc/61/37/85/1032613785.db2.gz AADDHIWWPQVSDX-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000449464900 1032613793 /nfs/dbraw/zinc/61/37/93/1032613793.db2.gz AADDHIWWPQVSDX-GFCCVEGCSA-N 1 2 329.696 3.561 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000592982298 1032649106 /nfs/dbraw/zinc/64/91/06/1032649106.db2.gz KWPCJHVHKBUWAF-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCc2sccc2C1 ZINC000592982298 1032649117 /nfs/dbraw/zinc/64/91/17/1032649117.db2.gz KWPCJHVHKBUWAF-CYBMUJFWSA-N 1 2 342.464 3.726 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449494087 1032658235 /nfs/dbraw/zinc/65/82/35/1032658235.db2.gz GFAGKJVKJBMEMG-IINYFYTJSA-N 1 2 348.231 3.974 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@@H]1C ZINC000449494087 1032658244 /nfs/dbraw/zinc/65/82/44/1032658244.db2.gz GFAGKJVKJBMEMG-IINYFYTJSA-N 1 2 348.231 3.974 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000597779163 1032660887 /nfs/dbraw/zinc/66/08/87/1032660887.db2.gz MVDBHASNXURNFV-UHFFFAOYSA-N 1 2 341.386 3.897 20 0 EHADLO CSCc1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602133632 1032662843 /nfs/dbraw/zinc/66/28/43/1032662843.db2.gz BJSCXMVBNUWNFI-CYBMUJFWSA-N 1 2 343.374 3.878 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)nc1 ZINC000088494051 1017083032 /nfs/dbraw/zinc/08/30/32/1017083032.db2.gz ONHZRSZYMCLGQJ-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)nc1 ZINC000088494051 1017083047 /nfs/dbraw/zinc/08/30/47/1017083047.db2.gz ONHZRSZYMCLGQJ-UHFFFAOYSA-N 1 2 342.439 3.662 20 0 EHADLO COc1ccc(C2CCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1 ZINC000376818292 1017136713 /nfs/dbraw/zinc/13/67/13/1017136713.db2.gz IOBSRBVFHFBHOZ-UHFFFAOYSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683481222 1017223505 /nfs/dbraw/zinc/22/35/05/1017223505.db2.gz ZFAQLJOPQSDMEC-AEFFLSMTSA-N 1 2 349.434 3.667 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000188734166 1017262251 /nfs/dbraw/zinc/26/22/51/1017262251.db2.gz KHSFWPBPRPMREL-GFCCVEGCSA-N 1 2 340.452 3.652 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000188734166 1017262259 /nfs/dbraw/zinc/26/22/59/1017262259.db2.gz KHSFWPBPRPMREL-GFCCVEGCSA-N 1 2 340.452 3.652 20 0 EHADLO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(F)cc1Br ZINC000639136756 1017271453 /nfs/dbraw/zinc/27/14/53/1017271453.db2.gz QCCGMSXADCSPQI-ZYHUDNBSSA-N 1 2 346.240 3.596 20 0 EHADLO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(F)cc1Br ZINC000639136756 1017271465 /nfs/dbraw/zinc/27/14/65/1017271465.db2.gz QCCGMSXADCSPQI-ZYHUDNBSSA-N 1 2 346.240 3.596 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449946 1032695299 /nfs/dbraw/zinc/69/52/99/1032695299.db2.gz KHRMNBLMIKNPOJ-GJZGRUSLSA-N 1 2 338.426 3.723 20 0 EHADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449946 1032695305 /nfs/dbraw/zinc/69/53/05/1032695305.db2.gz KHRMNBLMIKNPOJ-GJZGRUSLSA-N 1 2 338.426 3.723 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000641937708 1032697666 /nfs/dbraw/zinc/69/76/66/1032697666.db2.gz QMPXYAISUDEQBG-AWEZNQCLSA-N 1 2 337.822 3.659 20 0 EHADLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000641937708 1032697673 /nfs/dbraw/zinc/69/76/73/1032697673.db2.gz QMPXYAISUDEQBG-AWEZNQCLSA-N 1 2 337.822 3.659 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCn3ccnc31)CCO2 ZINC000655701653 1017408802 /nfs/dbraw/zinc/40/88/02/1017408802.db2.gz VYMUQFOWKXDKEC-ZIAGYGMSSA-N 1 2 348.244 3.594 20 0 EHADLO CCc1cc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)nc(CC)[nH+]1 ZINC000892779904 1017412177 /nfs/dbraw/zinc/41/21/77/1017412177.db2.gz WWPMRXHHZBFTPK-JCQPUDPBSA-N 1 2 331.485 3.536 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000606451886 1032698589 /nfs/dbraw/zinc/69/85/89/1032698589.db2.gz MLRXFYIRFBCDGB-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000606451886 1032698596 /nfs/dbraw/zinc/69/85/96/1032698596.db2.gz MLRXFYIRFBCDGB-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO Cc1csc(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)n1 ZINC000655708300 1017442792 /nfs/dbraw/zinc/44/27/92/1017442792.db2.gz GMUJMDRLWUDGFN-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(-c3ccccc3F)nc2C)cs1 ZINC000655732396 1017487550 /nfs/dbraw/zinc/48/75/50/1017487550.db2.gz AQVHKQPNXMBJOR-UHFFFAOYSA-N 1 2 330.432 3.629 20 0 EHADLO Cn1ccnc1C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000340410191 1017494274 /nfs/dbraw/zinc/49/42/74/1017494274.db2.gz ULEJGTXNSOGCCB-SFHVURJKSA-N 1 2 343.377 3.901 20 0 EHADLO C[C@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000547949545 1017519863 /nfs/dbraw/zinc/51/98/63/1017519863.db2.gz DJBWTYJOCCMCEW-YOEHRIQHSA-N 1 2 342.443 3.642 20 0 EHADLO CC(C)c1noc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528733095 1032705268 /nfs/dbraw/zinc/70/52/68/1032705268.db2.gz UPLCZSNMBUCUCO-LJQANCHMSA-N 1 2 327.428 3.553 20 0 EHADLO CC(C)c1noc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528733095 1032705284 /nfs/dbraw/zinc/70/52/84/1032705284.db2.gz UPLCZSNMBUCUCO-LJQANCHMSA-N 1 2 327.428 3.553 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247234669 1017560680 /nfs/dbraw/zinc/56/06/80/1017560680.db2.gz WMVHNEAQUSXFDD-HUUCEWRRSA-N 1 2 347.402 3.678 20 0 EHADLO FC(F)(F)Sc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247234669 1017560687 /nfs/dbraw/zinc/56/06/87/1017560687.db2.gz WMVHNEAQUSXFDD-HUUCEWRRSA-N 1 2 347.402 3.678 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(F)(F)F ZINC000625352092 1017567722 /nfs/dbraw/zinc/56/77/22/1017567722.db2.gz FJKDATVOUBGRNS-ZDUSSCGKSA-N 1 2 343.393 3.667 20 0 EHADLO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794565 1017626198 /nfs/dbraw/zinc/62/61/98/1017626198.db2.gz PDZWHQFXJATJER-GOEBONIOSA-N 1 2 328.460 3.502 20 0 EHADLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000655797081 1017635275 /nfs/dbraw/zinc/63/52/75/1017635275.db2.gz LANKLRXQMRFPCL-KSSFIOAISA-N 1 2 349.438 3.569 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000655797834 1017636633 /nfs/dbraw/zinc/63/66/33/1017636633.db2.gz QVLFGJVEXQSUSD-LEUOFYLZSA-N 1 2 340.471 3.718 20 0 EHADLO COc1ccc(C2([NH2+]Cc3csc(C(F)(F)F)n3)CC2)cc1 ZINC000892877865 1017637596 /nfs/dbraw/zinc/63/75/96/1017637596.db2.gz DVSPGSMBHDTQFN-UHFFFAOYSA-N 1 2 328.359 3.949 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C(/C)c2cccc(F)c2)c1C ZINC000255110315 1017649369 /nfs/dbraw/zinc/64/93/69/1017649369.db2.gz HFAGTDOYIJIHIC-LCYFTJDESA-N 1 2 342.414 3.908 20 0 EHADLO CCN(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccccc1 ZINC000606540552 1032726477 /nfs/dbraw/zinc/72/64/77/1032726477.db2.gz UAFIARVCGVWCBJ-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO CCN(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C)c1ccccc1 ZINC000606540552 1032726492 /nfs/dbraw/zinc/72/64/92/1032726492.db2.gz UAFIARVCGVWCBJ-HNNXBMFYSA-N 1 2 326.415 3.798 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 ZINC000891024527 1017866884 /nfs/dbraw/zinc/86/68/84/1017866884.db2.gz UGVWRYNMOONVSJ-LJQANCHMSA-N 1 2 345.446 3.553 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)sc2C1 ZINC000449543582 1032732680 /nfs/dbraw/zinc/73/26/80/1032732680.db2.gz TVQWNGVIAFAQPE-BEFAXECRSA-N 1 2 331.529 3.530 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)sc2C1 ZINC000449543582 1032732697 /nfs/dbraw/zinc/73/26/97/1032732697.db2.gz TVQWNGVIAFAQPE-BEFAXECRSA-N 1 2 331.529 3.530 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177635184 1017942053 /nfs/dbraw/zinc/94/20/53/1017942053.db2.gz LCNDNSLYSOFTNK-INIZCTEOSA-N 1 2 347.846 3.593 20 0 EHADLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177635184 1017942066 /nfs/dbraw/zinc/94/20/66/1017942066.db2.gz LCNDNSLYSOFTNK-INIZCTEOSA-N 1 2 347.846 3.593 20 0 EHADLO C[C@@H](NC[C@H](c1ccco1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343845638 1017949143 /nfs/dbraw/zinc/94/91/43/1017949143.db2.gz YASLVXSSVLFSFN-NXEZZACHSA-N 1 2 333.379 3.708 20 0 EHADLO CN(C)c1ccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000377591416 1018031938 /nfs/dbraw/zinc/03/19/38/1018031938.db2.gz QLAFTYALNSHMEI-MRXNPFEDSA-N 1 2 349.438 3.582 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000026195534 1018064645 /nfs/dbraw/zinc/06/46/45/1018064645.db2.gz PEFUHIQLJHUKKX-TWOQFEAHSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000026195534 1018064660 /nfs/dbraw/zinc/06/46/60/1018064660.db2.gz PEFUHIQLJHUKKX-TWOQFEAHSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](C[N@H+](C)Cn1nc2n(c1=S)CCCCC2)c1ccccc1 ZINC000066795557 1018085516 /nfs/dbraw/zinc/08/55/16/1018085516.db2.gz RJNBSPAZXIYJMI-HNNXBMFYSA-N 1 2 330.501 3.833 20 0 EHADLO C[C@@H](C[N@@H+](C)Cn1nc2n(c1=S)CCCCC2)c1ccccc1 ZINC000066795557 1018085529 /nfs/dbraw/zinc/08/55/29/1018085529.db2.gz RJNBSPAZXIYJMI-HNNXBMFYSA-N 1 2 330.501 3.833 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCCCn2cc(C)cn2)no1 ZINC000377632267 1018096438 /nfs/dbraw/zinc/09/64/38/1018096438.db2.gz ZNHIAABWHOQQIA-INIZCTEOSA-N 1 2 331.464 3.534 20 0 EHADLO CCc1nc([C@@H]2CCCC[N@H+]2CCCCCn2cc(C)cn2)no1 ZINC000377632267 1018096450 /nfs/dbraw/zinc/09/64/50/1018096450.db2.gz ZNHIAABWHOQQIA-INIZCTEOSA-N 1 2 331.464 3.534 20 0 EHADLO O=C(Nc1nc2ccccc2s1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047409907 1018118927 /nfs/dbraw/zinc/11/89/27/1018118927.db2.gz ARCPWXDFJGYVAA-ZDUSSCGKSA-N 1 2 338.436 3.546 20 0 EHADLO CO[C@@H](CC(C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415529293 1018146727 /nfs/dbraw/zinc/14/67/27/1018146727.db2.gz SRDQLLWBWIGATA-SFHVURJKSA-N 1 2 341.455 3.886 20 0 EHADLO CCCCc1noc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377684283 1018187094 /nfs/dbraw/zinc/18/70/94/1018187094.db2.gz WHGKUTICANWVDE-XCRHUMRWSA-N 1 2 346.450 3.647 20 0 EHADLO CCCCc1noc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377684283 1018187099 /nfs/dbraw/zinc/18/70/99/1018187099.db2.gz WHGKUTICANWVDE-XCRHUMRWSA-N 1 2 346.450 3.647 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)NCc1c[nH+]cn1C ZINC000290328238 1018213722 /nfs/dbraw/zinc/21/37/22/1018213722.db2.gz IPDIHMSCQMKSCN-UHFFFAOYSA-N 1 2 332.473 3.692 20 0 EHADLO COCCC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000580030115 1018222084 /nfs/dbraw/zinc/22/20/84/1018222084.db2.gz PMQZCZCSNXDJQZ-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO Clc1ccc(CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)s1 ZINC000340530405 1018233767 /nfs/dbraw/zinc/23/37/67/1018233767.db2.gz XMSRFRMEKTZZQQ-HNNXBMFYSA-N 1 2 347.875 3.617 20 0 EHADLO CCC1(C)CC[NH+](Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000728709460 1018239452 /nfs/dbraw/zinc/23/94/52/1018239452.db2.gz VYJGXORYBOVGNA-UHFFFAOYSA-N 1 2 345.516 3.521 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(NC2CC(C)(C)N(O)C(C)(C)C2)c1 ZINC001167721428 1018279930 /nfs/dbraw/zinc/27/99/30/1018279930.db2.gz YSCHUTGCVKZHKG-UHFFFAOYSA-N 1 2 328.460 3.910 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC(c1ccccc1)c1ccccc1 ZINC000651033590 1018299049 /nfs/dbraw/zinc/29/90/49/1018299049.db2.gz JDKZEAKYPMRPBS-UHFFFAOYSA-N 1 2 345.446 3.668 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000042534869 1018335335 /nfs/dbraw/zinc/33/53/35/1018335335.db2.gz CTFJOQYDZKYIEV-CQSZACIVSA-N 1 2 331.847 3.553 20 0 EHADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000449563592 1032762995 /nfs/dbraw/zinc/76/29/95/1032762995.db2.gz WSNDBPLOKSBBOE-AWEZNQCLSA-N 1 2 343.862 3.901 20 0 EHADLO CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580467 1032764126 /nfs/dbraw/zinc/76/41/26/1032764126.db2.gz PUYGZARPNYWNHV-UHFFFAOYSA-N 1 2 340.402 3.960 20 0 EHADLO OCC[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000754384513 1018438005 /nfs/dbraw/zinc/43/80/05/1018438005.db2.gz GQICTZIGEVZWGS-MRVPVSSYSA-N 1 2 337.313 3.657 20 0 EHADLO CC(C)=CCOc1cccc(CC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000415744007 1018473750 /nfs/dbraw/zinc/47/37/50/1018473750.db2.gz OZQLSUNAZILVKN-UHFFFAOYSA-N 1 2 339.439 3.746 20 0 EHADLO Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582481 1032766974 /nfs/dbraw/zinc/76/69/74/1032766974.db2.gz RACAVKIJQQYULG-GOSISDBHSA-N 1 2 334.423 3.882 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](c1ccccc1)C(F)(F)F ZINC000606581812 1032767272 /nfs/dbraw/zinc/76/72/72/1032767272.db2.gz RAPOUJCZESYQIK-CQSZACIVSA-N 1 2 334.301 3.759 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc2[nH+]ccn2c1)CC3 ZINC000606580743 1032767341 /nfs/dbraw/zinc/76/73/41/1032767341.db2.gz CEYHSUPUZBEDPT-UHFFFAOYSA-N 1 2 345.406 3.714 20 0 EHADLO CCOc1nnc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051131957 1018519138 /nfs/dbraw/zinc/51/91/38/1018519138.db2.gz IFSIHGBIJGBWCX-DOTOQJQBSA-N 1 2 347.484 3.537 20 0 EHADLO CCOc1nnc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051131957 1018519148 /nfs/dbraw/zinc/51/91/48/1018519148.db2.gz IFSIHGBIJGBWCX-DOTOQJQBSA-N 1 2 347.484 3.537 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000606583755 1032770851 /nfs/dbraw/zinc/77/08/51/1032770851.db2.gz MPQZFVQWEOQQJT-QGZVFWFLSA-N 1 2 334.423 3.821 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)ccc2[nH+]1 ZINC000340573514 1018558199 /nfs/dbraw/zinc/55/81/99/1018558199.db2.gz PICCLGQKOBQTOI-UHFFFAOYSA-N 1 2 338.798 3.959 20 0 EHADLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)[nH]1 ZINC000580060991 1018580070 /nfs/dbraw/zinc/58/00/70/1018580070.db2.gz KLYVKJOMYCLMEJ-UHFFFAOYSA-N 1 2 342.830 3.697 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000340585851 1018587072 /nfs/dbraw/zinc/58/70/72/1018587072.db2.gz BDGRUPNKPJIPFV-FQEVSTJZSA-N 1 2 331.419 3.860 20 0 EHADLO CCc1nc(C)c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)o1 ZINC000340583516 1018589566 /nfs/dbraw/zinc/58/95/66/1018589566.db2.gz GOKWZQSCGXERCM-UHFFFAOYSA-N 1 2 335.367 3.507 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1OC(C)C ZINC000683794433 1018597084 /nfs/dbraw/zinc/59/70/84/1018597084.db2.gz LKRNOCQVZBFFKE-KRWDZBQOSA-N 1 2 342.443 3.848 20 0 EHADLO COc1ccc([C@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1F ZINC000340596661 1018605607 /nfs/dbraw/zinc/60/56/07/1018605607.db2.gz JSUQQTMWZPSEPF-LBPRGKRZSA-N 1 2 342.374 3.673 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CCO1 ZINC000556496652 1018660189 /nfs/dbraw/zinc/66/01/89/1018660189.db2.gz AICZZWYUISCHIC-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CCO1 ZINC000556496652 1018660193 /nfs/dbraw/zinc/66/01/93/1018660193.db2.gz AICZZWYUISCHIC-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253555852 1018733373 /nfs/dbraw/zinc/73/33/73/1018733373.db2.gz YKBQXDIPWNXPPH-OLZOCXBDSA-N 1 2 349.525 3.874 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCS[C@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253555852 1018733393 /nfs/dbraw/zinc/73/33/93/1018733393.db2.gz YKBQXDIPWNXPPH-OLZOCXBDSA-N 1 2 349.525 3.874 20 0 EHADLO Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c2c1C ZINC000645219402 1018738512 /nfs/dbraw/zinc/73/85/12/1018738512.db2.gz UDSMKUQSNLHCCZ-OAHLLOKOSA-N 1 2 336.443 3.518 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052162419 1018754208 /nfs/dbraw/zinc/75/42/08/1018754208.db2.gz FHLIQYOVEDPFKN-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052162419 1018754221 /nfs/dbraw/zinc/75/42/21/1018754221.db2.gz FHLIQYOVEDPFKN-GFCCVEGCSA-N 1 2 328.803 3.978 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419353999 1018785420 /nfs/dbraw/zinc/78/54/20/1018785420.db2.gz CPAJEFJXEDBAKN-ZFWWWQNUSA-N 1 2 339.505 3.521 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419353999 1018785444 /nfs/dbraw/zinc/78/54/44/1018785444.db2.gz CPAJEFJXEDBAKN-ZFWWWQNUSA-N 1 2 339.505 3.521 20 0 EHADLO CO[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614354388 1018820697 /nfs/dbraw/zinc/82/06/97/1018820697.db2.gz VVYYMQKMLUDITP-ZBFHGGJFSA-N 1 2 339.439 3.640 20 0 EHADLO COc1cc(OC)c(C[NH2+]Cc2ccsc2Cl)c(OC)c1 ZINC000312744247 1018833149 /nfs/dbraw/zinc/83/31/49/1018833149.db2.gz KNQZWRVWHMHPJI-UHFFFAOYSA-N 1 2 327.833 3.717 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)NCc1cccs1 ZINC000052210866 1018873244 /nfs/dbraw/zinc/87/32/44/1018873244.db2.gz SYDBAYDPZIJZOY-INIZCTEOSA-N 1 2 334.872 3.855 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)NCc1cccs1 ZINC000052210866 1018873269 /nfs/dbraw/zinc/87/32/69/1018873269.db2.gz SYDBAYDPZIJZOY-INIZCTEOSA-N 1 2 334.872 3.855 20 0 EHADLO Cc1cc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)C(C)C)c(C)c[nH+]1 ZINC000580259948 1018884048 /nfs/dbraw/zinc/88/40/48/1018884048.db2.gz SMZRNGQPOKJWHK-KRWDZBQOSA-N 1 2 332.831 3.816 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000412688304 1018896914 /nfs/dbraw/zinc/89/69/14/1018896914.db2.gz GVRDIRVVHVKUQP-KANFNMMFSA-N 1 2 337.467 3.534 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCC(F)(F)C[C@@H]3C)n2)ccc1C ZINC000528771994 1032793497 /nfs/dbraw/zinc/79/34/97/1032793497.db2.gz WCLMBWTXAFXZJK-LBPRGKRZSA-N 1 2 337.370 3.673 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCC(F)(F)C[C@@H]3C)n2)ccc1C ZINC000528771994 1032793511 /nfs/dbraw/zinc/79/35/11/1032793511.db2.gz WCLMBWTXAFXZJK-LBPRGKRZSA-N 1 2 337.370 3.673 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000576401098 1018924582 /nfs/dbraw/zinc/92/45/82/1018924582.db2.gz ZULICIFMYQRTIK-LBPRGKRZSA-N 1 2 345.855 3.918 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000476056563 1032797626 /nfs/dbraw/zinc/79/76/26/1032797626.db2.gz SKZIFFLMYLMWQO-BTJLNZGRSA-N 1 2 347.409 3.803 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000118949151 1018961646 /nfs/dbraw/zinc/96/16/46/1018961646.db2.gz OXHQXLVZIIEUKG-UHFFFAOYSA-N 1 2 333.435 3.905 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340628918 1018994091 /nfs/dbraw/zinc/99/40/91/1018994091.db2.gz YMPXBPRRFOYQDU-FQEVSTJZSA-N 1 2 333.435 3.683 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cs1 ZINC001167927908 1019005954 /nfs/dbraw/zinc/00/59/54/1019005954.db2.gz KFNKTVBGECHLNW-SFHVURJKSA-N 1 2 338.432 3.809 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000528773883 1032802989 /nfs/dbraw/zinc/80/29/89/1032802989.db2.gz SCHPUAKDNYKJGI-SECBINFHSA-N 1 2 344.203 3.945 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000528773883 1032803004 /nfs/dbraw/zinc/80/30/04/1032803004.db2.gz SCHPUAKDNYKJGI-SECBINFHSA-N 1 2 344.203 3.945 20 0 EHADLO CC1(C)CN(CC2C[NH+](Cc3cnccn3)C2)c2cc(C3CC3)ccc21 ZINC000580331656 1019061291 /nfs/dbraw/zinc/06/12/91/1019061291.db2.gz AJBXKLTYTDUVGX-UHFFFAOYSA-N 1 2 348.494 3.584 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)o1 ZINC000030151868 1019086233 /nfs/dbraw/zinc/08/62/33/1019086233.db2.gz TWYOOXQPRJPTBQ-LRDDRELGSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)o1 ZINC000030151868 1019086250 /nfs/dbraw/zinc/08/62/50/1019086250.db2.gz TWYOOXQPRJPTBQ-LRDDRELGSA-N 1 2 329.396 3.947 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)s1 ZINC000894187228 1019097054 /nfs/dbraw/zinc/09/70/54/1019097054.db2.gz POBIHQSLYIANOE-GFCCVEGCSA-N 1 2 334.441 3.568 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)Cc1cccs1 ZINC000042300154 1019157289 /nfs/dbraw/zinc/15/72/89/1019157289.db2.gz FDXJQYBAEVDYSS-SNVBAGLBSA-N 1 2 349.456 3.956 20 0 EHADLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)Cc1cccs1 ZINC000042300154 1019157295 /nfs/dbraw/zinc/15/72/95/1019157295.db2.gz FDXJQYBAEVDYSS-SNVBAGLBSA-N 1 2 349.456 3.956 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(Cl)c1OC ZINC000556887841 1019176455 /nfs/dbraw/zinc/17/64/55/1019176455.db2.gz LQLFYAVOQYOQIY-UHFFFAOYSA-N 1 2 339.863 3.892 20 0 EHADLO COc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(Cl)c1OC ZINC000556887841 1019176471 /nfs/dbraw/zinc/17/64/71/1019176471.db2.gz LQLFYAVOQYOQIY-UHFFFAOYSA-N 1 2 339.863 3.892 20 0 EHADLO c1csc(-c2cc(CN3CC[NH+](Cc4ccsc4)CC3)no2)c1 ZINC000052711925 1019202218 /nfs/dbraw/zinc/20/22/18/1019202218.db2.gz GCMNYQPDPTVCQC-UHFFFAOYSA-N 1 2 345.493 3.782 20 0 EHADLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3sc(Br)cc32)n1 ZINC000393535788 1019221718 /nfs/dbraw/zinc/22/17/18/1019221718.db2.gz XVMGZRMUWDXTDE-VIFPVBQESA-N 1 2 346.681 3.675 20 0 EHADLO CC[C@@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000255497901 1019253071 /nfs/dbraw/zinc/25/30/71/1019253071.db2.gz MQEAOKBASANDLX-KQQSKNTNSA-N 1 2 338.436 3.610 20 0 EHADLO CCc1cccc(C)c1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051582688 1019258759 /nfs/dbraw/zinc/25/87/59/1019258759.db2.gz SBDCCFZABZRZGU-UHFFFAOYSA-N 1 2 327.428 3.900 20 0 EHADLO CCOc1ccccc1CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052909980 1019305294 /nfs/dbraw/zinc/30/52/94/1019305294.db2.gz NGBXVXATNLKVNF-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000052895778 1019305881 /nfs/dbraw/zinc/30/58/81/1019305881.db2.gz KYSKPAZWBMGTLA-INIZCTEOSA-N 1 2 330.472 3.522 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000052895778 1019305891 /nfs/dbraw/zinc/30/58/91/1019305891.db2.gz KYSKPAZWBMGTLA-INIZCTEOSA-N 1 2 330.472 3.522 20 0 EHADLO CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000729352458 1019312320 /nfs/dbraw/zinc/31/23/20/1019312320.db2.gz PIRJXQGIWOGHHG-UHFFFAOYSA-N 1 2 334.379 3.596 20 0 EHADLO O=C(CCCOCCc1ccccc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052927432 1019319397 /nfs/dbraw/zinc/31/93/97/1019319397.db2.gz VAZREBUCCDLLDG-UHFFFAOYSA-N 1 2 349.434 3.850 20 0 EHADLO COC(=O)c1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000894211778 1019343673 /nfs/dbraw/zinc/34/36/73/1019343673.db2.gz TXDIPGRPGZRDLV-UHFFFAOYSA-N 1 2 336.844 3.752 20 0 EHADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000528785913 1032822127 /nfs/dbraw/zinc/82/21/27/1032822127.db2.gz CZUYGOMZXYDGFW-MRXNPFEDSA-N 1 2 338.436 3.643 20 0 EHADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000528785913 1032822145 /nfs/dbraw/zinc/82/21/45/1032822145.db2.gz CZUYGOMZXYDGFW-MRXNPFEDSA-N 1 2 338.436 3.643 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000548097341 1019394719 /nfs/dbraw/zinc/39/47/19/1019394719.db2.gz GGCLDEGZWBBERD-GASCZTMLSA-N 1 2 340.471 3.591 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000548097341 1019394739 /nfs/dbraw/zinc/39/47/39/1019394739.db2.gz GGCLDEGZWBBERD-GASCZTMLSA-N 1 2 340.471 3.591 20 0 EHADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(Cc2ccccc2Cl)CC1 ZINC000275892306 1019442966 /nfs/dbraw/zinc/44/29/66/1019442966.db2.gz SILXKNCUPXSPAP-HNNXBMFYSA-N 1 2 343.858 3.792 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@](=O)C(C)(C)CC3)s2)cc1 ZINC000449573529 1032831116 /nfs/dbraw/zinc/83/11/16/1032831116.db2.gz SJGOVPSETDYFBZ-QHCPKHFHSA-N 1 2 348.537 3.852 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@](=O)C(C)(C)CC3)s2)cc1 ZINC000449573529 1032831124 /nfs/dbraw/zinc/83/11/24/1032831124.db2.gz SJGOVPSETDYFBZ-QHCPKHFHSA-N 1 2 348.537 3.852 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(F)cncc1F ZINC000513272565 1019493784 /nfs/dbraw/zinc/49/37/84/1019493784.db2.gz RIAGNPSJHAITGJ-GFCCVEGCSA-N 1 2 347.409 3.947 20 0 EHADLO CC(C)C1CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000471588093 1019541790 /nfs/dbraw/zinc/54/17/90/1019541790.db2.gz APOPBRVMBRBRRG-UHFFFAOYSA-N 1 2 328.460 3.688 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Sc3ccccn3)o2)C[C@@H](C2CC2)O1 ZINC000513342142 1019561985 /nfs/dbraw/zinc/56/19/85/1019561985.db2.gz BZSRDWHXSJVADF-CJNGLKHVSA-N 1 2 330.453 3.825 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Sc3ccccn3)o2)C[C@@H](C2CC2)O1 ZINC000513342142 1019561988 /nfs/dbraw/zinc/56/19/88/1019561988.db2.gz BZSRDWHXSJVADF-CJNGLKHVSA-N 1 2 330.453 3.825 20 0 EHADLO c1ccc2c(c1)CCS[C@@H]2CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433781004 1019601893 /nfs/dbraw/zinc/60/18/93/1019601893.db2.gz DQRKTAUUUSREPC-MRXNPFEDSA-N 1 2 326.469 3.519 20 0 EHADLO c1ccc2c(c1)CCS[C@@H]2CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433781004 1019601916 /nfs/dbraw/zinc/60/19/16/1019601916.db2.gz DQRKTAUUUSREPC-MRXNPFEDSA-N 1 2 326.469 3.519 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)nc1 ZINC000340727785 1019645542 /nfs/dbraw/zinc/64/55/42/1019645542.db2.gz QZTZDKHLRDMKKO-OAHLLOKOSA-N 1 2 331.847 3.729 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)nc1 ZINC000340727785 1019645554 /nfs/dbraw/zinc/64/55/54/1019645554.db2.gz QZTZDKHLRDMKKO-OAHLLOKOSA-N 1 2 331.847 3.729 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000255617082 1019679435 /nfs/dbraw/zinc/67/94/35/1019679435.db2.gz HTEMGULBRIHAFC-IEODJVTJSA-N 1 2 333.391 3.842 20 0 EHADLO O=C1OCCCN1C1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000897589773 1032851165 /nfs/dbraw/zinc/85/11/65/1032851165.db2.gz XCCQGDTVORJJCT-UHFFFAOYSA-N 1 2 348.390 3.574 20 0 EHADLO Cc1ncc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000255639935 1019765760 /nfs/dbraw/zinc/76/57/60/1019765760.db2.gz AEQNDIMSUHQBFN-HYXAFXHYSA-N 1 2 344.827 3.943 20 0 EHADLO CSCc1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000593297886 1032854431 /nfs/dbraw/zinc/85/44/31/1032854431.db2.gz PNYUQHLXAZUXFP-UHFFFAOYSA-N 1 2 340.452 3.723 20 0 EHADLO O=C(Nc1cc(C2CCCCCC2)[nH]n1)Nc1ccn2cc[nH+]c2c1 ZINC000580680009 1019843037 /nfs/dbraw/zinc/84/30/37/1019843037.db2.gz BAQZMUGMVPDYNT-UHFFFAOYSA-N 1 2 338.415 3.561 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280691 1019915865 /nfs/dbraw/zinc/91/58/65/1019915865.db2.gz FVRHWSYXONDCIQ-ZBFHGGJFSA-N 1 2 336.501 3.918 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC2(CCCCC2)O1 ZINC000656280691 1019915876 /nfs/dbraw/zinc/91/58/76/1019915876.db2.gz FVRHWSYXONDCIQ-ZBFHGGJFSA-N 1 2 336.501 3.918 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1C ZINC000050448743 1019928510 /nfs/dbraw/zinc/92/85/10/1019928510.db2.gz GYYHYWOBDPWASS-LRDDRELGSA-N 1 2 342.439 3.672 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C/C=C\c1cccc(F)c1 ZINC000430504249 1019943213 /nfs/dbraw/zinc/94/32/13/1019943213.db2.gz MNTQXVVKTXNSGZ-YVMONPNESA-N 1 2 343.446 3.927 20 0 EHADLO CC(C)c1ccc([C@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000291871343 1020016084 /nfs/dbraw/zinc/01/60/84/1020016084.db2.gz KQOCVDFPVVEGCM-GOSISDBHSA-N 1 2 328.460 3.740 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cnn1C(C)(C)C ZINC000345278364 1020106349 /nfs/dbraw/zinc/10/63/49/1020106349.db2.gz SQBCOQNLMSGTDF-CYBMUJFWSA-N 1 2 325.460 3.982 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000345288063 1020127371 /nfs/dbraw/zinc/12/73/71/1020127371.db2.gz NKFPAYKNSMEKIZ-AEFFLSMTSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000255845271 1020152472 /nfs/dbraw/zinc/15/24/72/1020152472.db2.gz KZMMLBGPZREDKH-YCLSTDHLSA-N 1 2 346.434 3.554 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC000093158317 1032880289 /nfs/dbraw/zinc/88/02/89/1032880289.db2.gz FENKTFROSKDQSR-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC000093158317 1032880306 /nfs/dbraw/zinc/88/03/06/1032880306.db2.gz FENKTFROSKDQSR-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)s1 ZINC000093171618 1032880824 /nfs/dbraw/zinc/88/08/24/1032880824.db2.gz RNQJUBHGJGRGBE-UHFFFAOYSA-N 1 2 332.498 3.892 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)s1 ZINC000093171618 1032880839 /nfs/dbraw/zinc/88/08/39/1032880839.db2.gz RNQJUBHGJGRGBE-UHFFFAOYSA-N 1 2 332.498 3.892 20 0 EHADLO CC1CC[NH+](Cc2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)CC1 ZINC000641959296 1032881980 /nfs/dbraw/zinc/88/19/80/1032881980.db2.gz DIGHGUILSANYAI-UHFFFAOYSA-N 1 2 339.439 3.624 20 0 EHADLO Cc1c(Br)scc1C(=O)NNc1cc[nH+]cc1Cl ZINC000187512681 1020213634 /nfs/dbraw/zinc/21/36/34/1020213634.db2.gz KPYTZCIBAUHLDH-UHFFFAOYSA-N 1 2 346.637 3.624 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127406060 1020220457 /nfs/dbraw/zinc/22/04/57/1020220457.db2.gz ZNCMZUYECPXDPW-OAHLLOKOSA-N 1 2 331.803 3.729 20 0 EHADLO OC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1OC(F)(F)F ZINC000280267037 1020234201 /nfs/dbraw/zinc/23/42/01/1020234201.db2.gz MFQAAIQXUOYIHP-AWEZNQCLSA-N 1 2 347.283 3.687 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(C(C)(C)C)nn1C ZINC000280290742 1020259285 /nfs/dbraw/zinc/25/92/85/1020259285.db2.gz SDPXBWLVZJACHN-UHFFFAOYSA-N 1 2 337.427 3.668 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345452177 1020267509 /nfs/dbraw/zinc/26/75/09/1020267509.db2.gz GTSGNNZQCYFYSN-MGPQQGTHSA-N 1 2 348.855 3.580 20 0 EHADLO CCC(C)(C)[C@@H]1CCc2nc(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000345432878 1020274222 /nfs/dbraw/zinc/27/42/22/1020274222.db2.gz NRAGGVVZOKBBAE-CYBMUJFWSA-N 1 2 346.500 3.910 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)sc2C1 ZINC001143385810 1020282452 /nfs/dbraw/zinc/28/24/52/1020282452.db2.gz UZMOYSUZOOEGID-JSGCOSHPSA-N 1 2 335.517 3.859 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)sc2C1 ZINC001143385810 1020282454 /nfs/dbraw/zinc/28/24/54/1020282454.db2.gz UZMOYSUZOOEGID-JSGCOSHPSA-N 1 2 335.517 3.859 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000340828880 1020300850 /nfs/dbraw/zinc/30/08/50/1020300850.db2.gz XYPULDONADHBAQ-UHFFFAOYSA-N 1 2 342.786 3.753 20 0 EHADLO Cc1ncccc1/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480597 1020301518 /nfs/dbraw/zinc/30/15/18/1020301518.db2.gz QEGSMQKAZISAII-QPJJXVBHSA-N 1 2 338.798 3.881 20 0 EHADLO Cc1nn(C)c(CNc2ccc([NH+]3CCCC3)cc2)c1Br ZINC000089233011 1020305187 /nfs/dbraw/zinc/30/51/87/1020305187.db2.gz DFSAOEQNBKGSOU-UHFFFAOYSA-N 1 2 349.276 3.703 20 0 EHADLO FC(F)(F)c1ccccc1CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000434095942 1020346296 /nfs/dbraw/zinc/34/62/96/1020346296.db2.gz NOFBMFCCEHYRAM-UHFFFAOYSA-N 1 2 336.361 3.750 20 0 EHADLO FC(F)(F)c1ccccc1CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000434095942 1020346308 /nfs/dbraw/zinc/34/63/08/1020346308.db2.gz NOFBMFCCEHYRAM-UHFFFAOYSA-N 1 2 336.361 3.750 20 0 EHADLO C[C@H]([NH2+]Cc1cc2cc(Br)ccc2o1)c1ccn(C)n1 ZINC000581022946 1020363533 /nfs/dbraw/zinc/36/35/33/1020363533.db2.gz PGPZWONBTFTMAN-JTQLQIEISA-N 1 2 334.217 3.780 20 0 EHADLO CCCN(CC)c1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000345625197 1020400458 /nfs/dbraw/zinc/40/04/58/1020400458.db2.gz PGFWOIWEWGLNDJ-UHFFFAOYSA-N 1 2 340.471 3.550 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000255959891 1020403120 /nfs/dbraw/zinc/40/31/20/1020403120.db2.gz XNZVSCZXUGZVQV-AUUYWEPGSA-N 1 2 332.419 3.925 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000255959891 1020403129 /nfs/dbraw/zinc/40/31/29/1020403129.db2.gz XNZVSCZXUGZVQV-AUUYWEPGSA-N 1 2 332.419 3.925 20 0 EHADLO Cc1ccc(OCCCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000434098265 1020410450 /nfs/dbraw/zinc/41/04/50/1020410450.db2.gz QHWLIVXMNRXGGE-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO Cc1ccc(OCCCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000434098265 1020410462 /nfs/dbraw/zinc/41/04/62/1020410462.db2.gz QHWLIVXMNRXGGE-UHFFFAOYSA-N 1 2 326.444 3.656 20 0 EHADLO CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345641066 1020411000 /nfs/dbraw/zinc/41/10/00/1020411000.db2.gz QSYMMKBWRPLIBK-UHFFFAOYSA-N 1 2 325.771 3.533 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ncccc1F ZINC000528824520 1032900264 /nfs/dbraw/zinc/90/02/64/1032900264.db2.gz MAIZEMOHYSUCIP-HNNXBMFYSA-N 1 2 341.430 3.698 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000064959351 1020433222 /nfs/dbraw/zinc/43/32/22/1020433222.db2.gz MPLTZBZJIHQVFV-AWEZNQCLSA-N 1 2 334.851 3.545 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3cnc(Cl)s3)CC2)c1 ZINC000280588867 1020498296 /nfs/dbraw/zinc/49/82/96/1020498296.db2.gz UDNHHUDOJSXQPI-UHFFFAOYSA-N 1 2 336.888 3.675 20 0 EHADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)s1 ZINC000280599046 1020505074 /nfs/dbraw/zinc/50/50/74/1020505074.db2.gz JCMOVFXKMNSOIQ-ZDUSSCGKSA-N 1 2 339.468 3.860 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000345803025 1020515159 /nfs/dbraw/zinc/51/51/59/1020515159.db2.gz XOGZLQPTOXPHMR-AWEZNQCLSA-N 1 2 333.838 3.753 20 0 EHADLO CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000581201521 1020515236 /nfs/dbraw/zinc/51/52/36/1020515236.db2.gz WXQZZRKVCNJARO-CQSZACIVSA-N 1 2 347.422 3.503 20 0 EHADLO C[C@@H]1C[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000070890589 1020524809 /nfs/dbraw/zinc/52/48/09/1020524809.db2.gz JCFFJPGHMIRACD-ZIAGYGMSSA-N 1 2 349.837 3.751 20 0 EHADLO Cc1ccc(N(Cc2cccs2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000280617350 1020527613 /nfs/dbraw/zinc/52/76/13/1020527613.db2.gz VYFUOMPCQKJHQT-UHFFFAOYSA-N 1 2 339.464 3.956 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000048328858 1020611630 /nfs/dbraw/zinc/61/16/30/1020611630.db2.gz LPOXQKPIPAFGNZ-UHFFFAOYSA-N 1 2 334.379 3.994 20 0 EHADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2cncs2)nc[nH+]1 ZINC000340919942 1020613701 /nfs/dbraw/zinc/61/37/01/1020613701.db2.gz LHXLQLUQAQWOPA-DCGLDWPTSA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2cncs2)[nH+]cn1 ZINC000340919942 1020613703 /nfs/dbraw/zinc/61/37/03/1020613703.db2.gz LHXLQLUQAQWOPA-DCGLDWPTSA-N 1 2 347.488 3.722 20 0 EHADLO C[C@@H]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000345935764 1020622859 /nfs/dbraw/zinc/62/28/59/1020622859.db2.gz DYMVWWGOHAXCNJ-BEFAXECRSA-N 1 2 334.423 3.602 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCC1=CCCCCC1 ZINC000581282120 1020627000 /nfs/dbraw/zinc/62/70/00/1020627000.db2.gz DFNUDSKIUMBELF-UHFFFAOYSA-N 1 2 337.467 3.871 20 0 EHADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1C1CC1 ZINC000340941152 1020657200 /nfs/dbraw/zinc/65/72/00/1020657200.db2.gz PCOGKWTWDQDEAP-CQSZACIVSA-N 1 2 348.853 3.921 20 0 EHADLO Cc1nnc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1C1CC1 ZINC000340941152 1020657204 /nfs/dbraw/zinc/65/72/04/1020657204.db2.gz PCOGKWTWDQDEAP-CQSZACIVSA-N 1 2 348.853 3.921 20 0 EHADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000656470046 1020672679 /nfs/dbraw/zinc/67/26/79/1020672679.db2.gz DDNRBMYURBOLKB-KRWDZBQOSA-N 1 2 339.826 3.565 20 0 EHADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000656470046 1020672683 /nfs/dbraw/zinc/67/26/83/1020672683.db2.gz DDNRBMYURBOLKB-KRWDZBQOSA-N 1 2 339.826 3.565 20 0 EHADLO OC[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccccc1C(F)(F)F ZINC000933242944 1020799000 /nfs/dbraw/zinc/79/90/00/1020799000.db2.gz LJCGJBIKJRPBOG-OAHLLOKOSA-N 1 2 345.748 3.888 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(F)c1 ZINC001125497317 1020825595 /nfs/dbraw/zinc/82/55/95/1020825595.db2.gz HMRBIFSDOSYFME-KRWDZBQOSA-N 1 2 325.387 3.991 20 0 EHADLO CCC[C@@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000341006959 1020832842 /nfs/dbraw/zinc/83/28/42/1020832842.db2.gz DXAPFPZEJCCHRN-QGZVFWFLSA-N 1 2 328.481 3.764 20 0 EHADLO CCC[C@@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000341006959 1020832848 /nfs/dbraw/zinc/83/28/48/1020832848.db2.gz DXAPFPZEJCCHRN-QGZVFWFLSA-N 1 2 328.481 3.764 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001203411155 1032941087 /nfs/dbraw/zinc/94/10/87/1032941087.db2.gz QHNCGYNPVXLJBE-XHDPSFHLSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001203411155 1032941100 /nfs/dbraw/zinc/94/11/00/1032941100.db2.gz QHNCGYNPVXLJBE-XHDPSFHLSA-N 1 2 340.826 3.530 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341155755 1021024183 /nfs/dbraw/zinc/02/41/83/1021024183.db2.gz YEVZYXQZLFBNKM-JZXOWHBKSA-N 1 2 345.487 3.702 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341155755 1021024185 /nfs/dbraw/zinc/02/41/85/1021024185.db2.gz YEVZYXQZLFBNKM-JZXOWHBKSA-N 1 2 345.487 3.702 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000074235990 1021095128 /nfs/dbraw/zinc/09/51/28/1021095128.db2.gz WMOSNBCXPADVAY-GFCCVEGCSA-N 1 2 327.815 3.770 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000074235990 1021095137 /nfs/dbraw/zinc/09/51/37/1021095137.db2.gz WMOSNBCXPADVAY-GFCCVEGCSA-N 1 2 327.815 3.770 20 0 EHADLO COCCCOC1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000276375012 1021123398 /nfs/dbraw/zinc/12/33/98/1021123398.db2.gz XRZRKUZQTQCXPZ-UHFFFAOYSA-N 1 2 344.455 3.574 20 0 EHADLO COc1cc(C)[nH+]c(CSCCOCC(F)(F)C(F)F)c1 ZINC000276376945 1021127677 /nfs/dbraw/zinc/12/76/77/1021127677.db2.gz XWORJGJAWRBVBM-UHFFFAOYSA-N 1 2 327.343 3.549 20 0 EHADLO CC(C)c1nc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c2ccccn21 ZINC000581612202 1021150488 /nfs/dbraw/zinc/15/04/88/1021150488.db2.gz HQNJLXJHNDRXKX-KRWDZBQOSA-N 1 2 337.467 3.841 20 0 EHADLO CC(C)c1nc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c2ccccn21 ZINC000581612202 1021150489 /nfs/dbraw/zinc/15/04/89/1021150489.db2.gz HQNJLXJHNDRXKX-KRWDZBQOSA-N 1 2 337.467 3.841 20 0 EHADLO COc1cccc(N(CC(C)C)C(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000581616385 1021157284 /nfs/dbraw/zinc/15/72/84/1021157284.db2.gz KVZKFFPSHNMSJU-UHFFFAOYSA-N 1 2 337.423 3.954 20 0 EHADLO O=C(CCc1ccsc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341243102 1021166210 /nfs/dbraw/zinc/16/62/10/1021166210.db2.gz QGVQDNOHGNIVNF-UHFFFAOYSA-N 1 2 331.485 3.596 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867832 1021252344 /nfs/dbraw/zinc/25/23/44/1021252344.db2.gz IVORPJFWRCXXMX-ZDUSSCGKSA-N 1 2 337.427 3.605 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867832 1021252352 /nfs/dbraw/zinc/25/23/52/1021252352.db2.gz IVORPJFWRCXXMX-ZDUSSCGKSA-N 1 2 337.427 3.605 20 0 EHADLO FC(F)Oc1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)ccn1 ZINC000341278936 1021276503 /nfs/dbraw/zinc/27/65/03/1021276503.db2.gz VCZXSTLKNQEATG-UHFFFAOYSA-N 1 2 331.322 3.628 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000507462167 1021278156 /nfs/dbraw/zinc/27/81/56/1021278156.db2.gz WZFQDNYGQJPNHH-SQWLQELKSA-N 1 2 333.501 3.916 20 0 EHADLO C[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000507462167 1021278167 /nfs/dbraw/zinc/27/81/67/1021278167.db2.gz WZFQDNYGQJPNHH-SQWLQELKSA-N 1 2 333.501 3.916 20 0 EHADLO COCc1csc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1 ZINC000656774518 1021322596 /nfs/dbraw/zinc/32/25/96/1021322596.db2.gz QHJDVOUZAWGKFQ-UHFFFAOYSA-N 1 2 332.347 3.843 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)cc2[nH+]1 ZINC000341295577 1021371256 /nfs/dbraw/zinc/37/12/56/1021371256.db2.gz XXUBYGSULFCFND-RYUDHWBXSA-N 1 2 327.334 3.892 20 0 EHADLO CC(C)Sc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000439427356 1021423657 /nfs/dbraw/zinc/42/36/57/1021423657.db2.gz DAYAGTPEDKTWFI-MSOLQXFVSA-N 1 2 333.497 3.757 20 0 EHADLO CC(C)Sc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000439427356 1021423667 /nfs/dbraw/zinc/42/36/67/1021423667.db2.gz DAYAGTPEDKTWFI-MSOLQXFVSA-N 1 2 333.497 3.757 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1C[C@H]2CCC[C@H]21 ZINC000425669842 1021451185 /nfs/dbraw/zinc/45/11/85/1021451185.db2.gz DJFJPBNNSSBHJU-RDTXWAMCSA-N 1 2 336.439 3.903 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465453 1021476559 /nfs/dbraw/zinc/47/65/59/1021476559.db2.gz FIHYMJZLIKYXIJ-GJZGRUSLSA-N 1 2 338.879 3.785 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCCO1 ZINC000439465453 1021476561 /nfs/dbraw/zinc/47/65/61/1021476561.db2.gz FIHYMJZLIKYXIJ-GJZGRUSLSA-N 1 2 338.879 3.785 20 0 EHADLO COc1ccc(Cn2cc(NCc3c[nH+]c4c(C)cccn34)cn2)cc1 ZINC000341341822 1021480379 /nfs/dbraw/zinc/48/03/79/1021480379.db2.gz DRMNGFAALDRZSG-UHFFFAOYSA-N 1 2 347.422 3.508 20 0 EHADLO C[C@]1([NH2+]Cc2ncccc2Br)CCOc2ccccc21 ZINC000933369105 1021484992 /nfs/dbraw/zinc/48/49/92/1021484992.db2.gz IPDRVQFIKWQGEA-INIZCTEOSA-N 1 2 333.229 3.632 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480077 1021488016 /nfs/dbraw/zinc/48/80/16/1021488016.db2.gz BWKULRPASAQHMC-NWDGAFQWSA-N 1 2 345.270 3.821 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000439480077 1021488025 /nfs/dbraw/zinc/48/80/25/1021488025.db2.gz BWKULRPASAQHMC-NWDGAFQWSA-N 1 2 345.270 3.821 20 0 EHADLO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000139540600 1032986204 /nfs/dbraw/zinc/98/62/04/1032986204.db2.gz AXIYSIDGIYNSBB-UHFFFAOYSA-N 1 2 342.826 3.773 20 0 EHADLO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000139540600 1032986214 /nfs/dbraw/zinc/98/62/14/1032986214.db2.gz AXIYSIDGIYNSBB-UHFFFAOYSA-N 1 2 342.826 3.773 20 0 EHADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000581694965 1021534427 /nfs/dbraw/zinc/53/44/27/1021534427.db2.gz OJFAHXYDQQSKLF-YPMHNXCESA-N 1 2 328.441 3.928 20 0 EHADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000581694965 1021534434 /nfs/dbraw/zinc/53/44/34/1021534434.db2.gz OJFAHXYDQQSKLF-YPMHNXCESA-N 1 2 328.441 3.928 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000729479049 1021537848 /nfs/dbraw/zinc/53/78/48/1021537848.db2.gz BNBDGZIFAVPREU-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc(F)cc1F)C2 ZINC000729479049 1021537860 /nfs/dbraw/zinc/53/78/60/1021537860.db2.gz BNBDGZIFAVPREU-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO O=C(CCC(F)F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000684389820 1021542862 /nfs/dbraw/zinc/54/28/62/1021542862.db2.gz WBIOPPJPVBVYPS-ZDUSSCGKSA-N 1 2 348.796 3.778 20 0 EHADLO NC(=O)C[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000052826312 1021559499 /nfs/dbraw/zinc/55/94/99/1021559499.db2.gz NHPZJSVYJYZNRH-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO NC(=O)C[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000052826312 1021559509 /nfs/dbraw/zinc/55/95/09/1021559509.db2.gz NHPZJSVYJYZNRH-UHFFFAOYSA-N 1 2 349.887 3.693 20 0 EHADLO CC[C@H](F)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000440566276 1021621635 /nfs/dbraw/zinc/62/16/35/1021621635.db2.gz QWKURNHIXXQCLH-INIZCTEOSA-N 1 2 348.491 3.762 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(F)(F)F ZINC000516658641 1021633750 /nfs/dbraw/zinc/63/37/50/1021633750.db2.gz RRLHTJXYWJFZJP-JOCQHMNTSA-N 1 2 343.393 3.900 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c(C)c1 ZINC000528878297 1032996538 /nfs/dbraw/zinc/99/65/38/1032996538.db2.gz DOGYFYYWEHRUEV-MVJPYGJCSA-N 1 2 337.467 3.650 20 0 EHADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000684406160 1021638994 /nfs/dbraw/zinc/63/89/94/1021638994.db2.gz RWTMGALFXDZKMJ-CQSZACIVSA-N 1 2 337.332 3.730 20 0 EHADLO OC[C@H]1CC(F)(F)C[N@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000684406160 1021639000 /nfs/dbraw/zinc/63/90/00/1021639000.db2.gz RWTMGALFXDZKMJ-CQSZACIVSA-N 1 2 337.332 3.730 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000505993219 1021647298 /nfs/dbraw/zinc/64/72/98/1021647298.db2.gz VMVZMQRFWMXBDH-CRAIPNDOSA-N 1 2 335.451 3.671 20 0 EHADLO CSc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc1 ZINC000581735500 1021654505 /nfs/dbraw/zinc/65/45/05/1021654505.db2.gz SCMMRYYGOBFRJZ-HNNXBMFYSA-N 1 2 335.860 3.698 20 0 EHADLO CC1=C(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000437218062 1021660869 /nfs/dbraw/zinc/66/08/69/1021660869.db2.gz COSKSHQXEILDBM-AWEZNQCLSA-N 1 2 334.410 3.546 20 0 EHADLO CC1=C(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000437218062 1021660876 /nfs/dbraw/zinc/66/08/76/1021660876.db2.gz COSKSHQXEILDBM-AWEZNQCLSA-N 1 2 334.410 3.546 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2CCC[N@H+](Cc3csnn3)C2)c1 ZINC000289110002 1021670990 /nfs/dbraw/zinc/67/09/90/1021670990.db2.gz CSGSDEPZESDQBP-GFCCVEGCSA-N 1 2 327.375 3.937 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2CCC[N@@H+](Cc3csnn3)C2)c1 ZINC000289110002 1021671002 /nfs/dbraw/zinc/67/10/02/1021671002.db2.gz CSGSDEPZESDQBP-GFCCVEGCSA-N 1 2 327.375 3.937 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccco2)cc1 ZINC000015306677 1021706561 /nfs/dbraw/zinc/70/65/61/1021706561.db2.gz XAUBAPIKFKRMMR-INIZCTEOSA-N 1 2 328.456 3.787 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccco2)cc1 ZINC000015306677 1021706576 /nfs/dbraw/zinc/70/65/76/1021706576.db2.gz XAUBAPIKFKRMMR-INIZCTEOSA-N 1 2 328.456 3.787 20 0 EHADLO FC(F)C1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCC1 ZINC000516812632 1021746784 /nfs/dbraw/zinc/74/67/84/1021746784.db2.gz RQIZEFVELIWFGL-UHFFFAOYSA-N 1 2 330.338 3.999 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426509428 1021763546 /nfs/dbraw/zinc/76/35/46/1021763546.db2.gz SIDCHGGRXWIXLB-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426509428 1021763560 /nfs/dbraw/zinc/76/35/60/1021763560.db2.gz SIDCHGGRXWIXLB-UHFFFAOYSA-N 1 2 337.398 3.919 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000593696124 1033007035 /nfs/dbraw/zinc/00/70/35/1033007035.db2.gz CUIJELRGTBCUIP-CQSZACIVSA-N 1 2 335.473 3.690 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000593696124 1033007043 /nfs/dbraw/zinc/00/70/43/1033007043.db2.gz CUIJELRGTBCUIP-CQSZACIVSA-N 1 2 335.473 3.690 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cs1 ZINC000276555241 1021770519 /nfs/dbraw/zinc/77/05/19/1021770519.db2.gz FWMDZNUQAPLAIW-HOCLYGCPSA-N 1 2 343.496 3.833 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2cn(C(C)C)nn2)CC1 ZINC000289635164 1021785266 /nfs/dbraw/zinc/78/52/66/1021785266.db2.gz XCWCZSNYJIDDLL-UHFFFAOYSA-N 1 2 347.894 3.533 20 0 EHADLO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cn(C(C)C)nn2)CC1 ZINC000289635164 1021785269 /nfs/dbraw/zinc/78/52/69/1021785269.db2.gz XCWCZSNYJIDDLL-UHFFFAOYSA-N 1 2 347.894 3.533 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCCC23CC3)c(C)c1 ZINC000528882158 1033004809 /nfs/dbraw/zinc/00/48/09/1033004809.db2.gz NJCNAGLXWQDDMO-RTBURBONSA-N 1 2 337.467 3.938 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2nccs2)c2ccccc21 ZINC000593685086 1033008064 /nfs/dbraw/zinc/00/80/64/1033008064.db2.gz BJNBVGWVWWBXBS-GJZGRUSLSA-N 1 2 330.453 3.803 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440949744 1021900480 /nfs/dbraw/zinc/90/04/80/1021900480.db2.gz FUEWBJHKBQIPJN-IAGOWNOFSA-N 1 2 347.409 3.682 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]2CCC[C@H]2O1 ZINC000440949744 1021900492 /nfs/dbraw/zinc/90/04/92/1021900492.db2.gz FUEWBJHKBQIPJN-IAGOWNOFSA-N 1 2 347.409 3.682 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)s1 ZINC000341454270 1021937916 /nfs/dbraw/zinc/93/79/16/1021937916.db2.gz KHCLHVBBCQFHOS-INIZCTEOSA-N 1 2 343.427 3.896 20 0 EHADLO Cc1nn(Cc2c[nH+]cn2Cc2ccccc2)c(C)c1Br ZINC000437612192 1021995302 /nfs/dbraw/zinc/99/53/02/1021995302.db2.gz ISBGPMDWMHFKHN-UHFFFAOYSA-N 1 2 345.244 3.556 20 0 EHADLO CC[C@H]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000607175754 1033026258 /nfs/dbraw/zinc/02/62/58/1033026258.db2.gz SWNKURLHLBRWHM-FUHWJXTLSA-N 1 2 344.503 3.840 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cc(Br)c(Cl)s2)[nH]1 ZINC000276660762 1022059138 /nfs/dbraw/zinc/05/91/38/1022059138.db2.gz WFDRRGNQNLCDQU-LURJTMIESA-N 1 2 349.685 3.695 20 0 EHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000517127944 1022063869 /nfs/dbraw/zinc/06/38/69/1022063869.db2.gz IFUSCCLTYYWQAB-GPMSIDNRSA-N 1 2 345.487 3.780 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2ccc3ccccc3c2)no1 ZINC000441283857 1022116162 /nfs/dbraw/zinc/11/61/62/1022116162.db2.gz XICSZHLYSJKKFV-UHFFFAOYSA-N 1 2 325.412 3.689 20 0 EHADLO O=C(Cc1ccccc1OC1CCCC1)Nc1cccc2[nH+]ccn21 ZINC000520358994 1022180346 /nfs/dbraw/zinc/18/03/46/1022180346.db2.gz DYWIOCROUAYOLG-UHFFFAOYSA-N 1 2 335.407 3.837 20 0 EHADLO Cc1ccc(F)c2oc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc21 ZINC000891639858 1022187485 /nfs/dbraw/zinc/18/74/85/1022187485.db2.gz UUMUTCIOSDNURM-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO Cc1ccc(F)c2oc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc21 ZINC000891639858 1022187494 /nfs/dbraw/zinc/18/74/94/1022187494.db2.gz UUMUTCIOSDNURM-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)c[nH+]1 ZINC000517302592 1022230556 /nfs/dbraw/zinc/23/05/56/1022230556.db2.gz ROQRPGRLDRVNBS-GOSISDBHSA-N 1 2 327.403 3.714 20 0 EHADLO CCOCc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187754486 1022238009 /nfs/dbraw/zinc/23/80/09/1022238009.db2.gz SBEKDSNIPCRZQN-LJQANCHMSA-N 1 2 339.414 3.965 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000045953997 1022252432 /nfs/dbraw/zinc/25/24/32/1022252432.db2.gz REPWUXZOYWMPBS-INIZCTEOSA-N 1 2 347.503 3.776 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC000506163664 1022253965 /nfs/dbraw/zinc/25/39/65/1022253965.db2.gz FNWLSSTWBMBEPE-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2ccc(C)cn12 ZINC000506163664 1022253977 /nfs/dbraw/zinc/25/39/77/1022253977.db2.gz FNWLSSTWBMBEPE-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(Cl)cc1CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000506163664 1022253991 /nfs/dbraw/zinc/25/39/91/1022253991.db2.gz FNWLSSTWBMBEPE-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO CC(C)(C)c1nn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)[nH]1 ZINC000172952073 1033041754 /nfs/dbraw/zinc/04/17/54/1033041754.db2.gz JETPIHHWIYZUTH-AWEZNQCLSA-N 1 2 338.521 3.619 20 0 EHADLO CC(C)(C)c1nn(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(=S)[nH]1 ZINC000172952073 1033041759 /nfs/dbraw/zinc/04/17/59/1033041759.db2.gz JETPIHHWIYZUTH-AWEZNQCLSA-N 1 2 338.521 3.619 20 0 EHADLO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)c1c(F)cccc1F ZINC000051286105 1022266320 /nfs/dbraw/zinc/26/63/20/1022266320.db2.gz FEVDDILVIXBAJN-AWEZNQCLSA-N 1 2 334.391 3.740 20 0 EHADLO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)c1c(F)cccc1F ZINC000051286105 1022266324 /nfs/dbraw/zinc/26/63/24/1022266324.db2.gz FEVDDILVIXBAJN-AWEZNQCLSA-N 1 2 334.391 3.740 20 0 EHADLO CC1CC[NH+](CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000473917268 1022270629 /nfs/dbraw/zinc/27/06/29/1022270629.db2.gz DTKHSYFHHIMTJW-UHFFFAOYSA-N 1 2 336.435 3.588 20 0 EHADLO COc1ccccc1COC1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894427441 1022270889 /nfs/dbraw/zinc/27/08/89/1022270889.db2.gz PMYZAILNOAXCMG-UHFFFAOYSA-N 1 2 343.471 3.723 20 0 EHADLO Cc1ccccc1C[N@H+](Cc1c2c(nn1C)CCC2)Cc1cccnc1 ZINC000894457952 1022310111 /nfs/dbraw/zinc/31/01/11/1022310111.db2.gz KCDQUBVJDXRHDN-UHFFFAOYSA-N 1 2 346.478 3.815 20 0 EHADLO Cc1ccccc1C[N@@H+](Cc1c2c(nn1C)CCC2)Cc1cccnc1 ZINC000894457952 1022310128 /nfs/dbraw/zinc/31/01/28/1022310128.db2.gz KCDQUBVJDXRHDN-UHFFFAOYSA-N 1 2 346.478 3.815 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000458876746 1022323125 /nfs/dbraw/zinc/32/31/25/1022323125.db2.gz GLXZWJGNTDEUNC-CXAGYDPISA-N 1 2 342.418 3.515 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000895017844 1022377830 /nfs/dbraw/zinc/37/78/30/1022377830.db2.gz ZKUKWSFGVWNNKZ-CQSZACIVSA-N 1 2 339.867 3.606 20 0 EHADLO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000895017844 1022377846 /nfs/dbraw/zinc/37/78/46/1022377846.db2.gz ZKUKWSFGVWNNKZ-CQSZACIVSA-N 1 2 339.867 3.606 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(F)F)c(F)c2)s1 ZINC000895010652 1022380478 /nfs/dbraw/zinc/38/04/78/1022380478.db2.gz UOBHMEFSRZTEIA-MRVPVSSYSA-N 1 2 344.358 3.857 20 0 EHADLO CC(C)c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000664820983 1022415838 /nfs/dbraw/zinc/41/58/38/1022415838.db2.gz RFQIFLDIOUKOQC-IAGOWNOFSA-N 1 2 327.428 3.786 20 0 EHADLO CC(C)c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000664820983 1022415844 /nfs/dbraw/zinc/41/58/44/1022415844.db2.gz RFQIFLDIOUKOQC-IAGOWNOFSA-N 1 2 327.428 3.786 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000172937815 1033050386 /nfs/dbraw/zinc/05/03/86/1033050386.db2.gz LHWQHCKFSJSIDZ-UHFFFAOYSA-N 1 2 341.430 3.663 20 0 EHADLO O=c1ccc(-c2ccccc2F)nn1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172937815 1033050394 /nfs/dbraw/zinc/05/03/94/1033050394.db2.gz LHWQHCKFSJSIDZ-UHFFFAOYSA-N 1 2 341.430 3.663 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000891738716 1022492812 /nfs/dbraw/zinc/49/28/12/1022492812.db2.gz KBEXMUXATJZBCX-MRXNPFEDSA-N 1 2 337.452 3.620 20 0 EHADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000891738716 1022492820 /nfs/dbraw/zinc/49/28/20/1022492820.db2.gz KBEXMUXATJZBCX-MRXNPFEDSA-N 1 2 337.452 3.620 20 0 EHADLO CCCC[C@H](CC)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000303584076 1022495807 /nfs/dbraw/zinc/49/58/07/1022495807.db2.gz FQGANGWDYIGMLH-ROUUACIJSA-N 1 2 346.519 3.686 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000517655572 1022527761 /nfs/dbraw/zinc/52/77/61/1022527761.db2.gz UBXFISXMWFSVIV-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000517655572 1022527773 /nfs/dbraw/zinc/52/77/73/1022527773.db2.gz UBXFISXMWFSVIV-OAHLLOKOSA-N 1 2 334.261 3.692 20 0 EHADLO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000276742761 1022551559 /nfs/dbraw/zinc/55/15/59/1022551559.db2.gz ZMQUFBYKMVXUSB-GXTWGEPZSA-N 1 2 341.484 3.583 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC000607252684 1033065398 /nfs/dbraw/zinc/06/53/98/1033065398.db2.gz PNELWBKILWEWHK-WMLDXEAASA-N 1 2 348.397 3.659 20 0 EHADLO CNc1cc(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH+]cn1 ZINC000891761692 1022578761 /nfs/dbraw/zinc/57/87/61/1022578761.db2.gz DWKXSPZIDWIANT-BRPSZJMVSA-N 1 2 342.287 3.840 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OCC ZINC000438355201 1022604955 /nfs/dbraw/zinc/60/49/55/1022604955.db2.gz HRNJKSZYIPCLJT-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OCC ZINC000438355201 1022604959 /nfs/dbraw/zinc/60/49/59/1022604959.db2.gz HRNJKSZYIPCLJT-UHFFFAOYSA-N 1 2 332.469 3.889 20 0 EHADLO CCSCc1cccc(NC(=O)NCCNc2cccc[nH+]2)c1 ZINC000438401238 1022624103 /nfs/dbraw/zinc/62/41/03/1022624103.db2.gz QPUDLFAHRRLCPN-UHFFFAOYSA-N 1 2 330.457 3.568 20 0 EHADLO Cc1cc(NC(=O)c2c3ccccc3nc3c2CCCCC3)cc[nH+]1 ZINC001266882823 1022652453 /nfs/dbraw/zinc/65/24/53/1022652453.db2.gz KDEHYZDYCRMBKX-UHFFFAOYSA-N 1 2 331.419 3.881 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3cc(C(=O)OC)oc3C)CCO2)cc1 ZINC000517802574 1022692624 /nfs/dbraw/zinc/69/26/24/1022692624.db2.gz NJRAPDRZWYEZJV-IBGZPJMESA-N 1 2 343.423 3.511 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc(C(=O)OC)oc3C)CCO2)cc1 ZINC000517802574 1022692628 /nfs/dbraw/zinc/69/26/28/1022692628.db2.gz NJRAPDRZWYEZJV-IBGZPJMESA-N 1 2 343.423 3.511 20 0 EHADLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnn4ccccc34)n2)cc1 ZINC000276762090 1022692984 /nfs/dbraw/zinc/69/29/84/1022692984.db2.gz MXPPGLUERKDKKP-AWEZNQCLSA-N 1 2 347.422 3.798 20 0 EHADLO Cc1ccc(CCC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000471863874 1022717043 /nfs/dbraw/zinc/71/70/43/1022717043.db2.gz QBCKBXPVLPSIEP-INIZCTEOSA-N 1 2 342.439 3.553 20 0 EHADLO C(=C/c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)\c1cncs1 ZINC000345985709 1022718819 /nfs/dbraw/zinc/71/88/19/1022718819.db2.gz DWDDIFRJXRGOGQ-SNAWJCMRSA-N 1 2 335.392 3.608 20 0 EHADLO CCn1c(C[NH2+][C@@H](C)c2nc3ccccc3n2C)nc2ccccc21 ZINC000607287329 1033075635 /nfs/dbraw/zinc/07/56/35/1033075635.db2.gz DJNAYOLOEZXQQW-AWEZNQCLSA-N 1 2 333.439 3.794 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)cc1 ZINC000891796263 1022779398 /nfs/dbraw/zinc/77/93/98/1022779398.db2.gz LEKPRKPRSDAHHZ-HNNXBMFYSA-N 1 2 349.228 3.592 20 0 EHADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(Br)cc2O)cc1 ZINC000891796263 1022779409 /nfs/dbraw/zinc/77/94/09/1022779409.db2.gz LEKPRKPRSDAHHZ-HNNXBMFYSA-N 1 2 349.228 3.592 20 0 EHADLO CCCc1csc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000426082288 1022847264 /nfs/dbraw/zinc/84/72/64/1022847264.db2.gz XHWZGDZUHLDCPE-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO CCCc1csc(C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000426082288 1022847278 /nfs/dbraw/zinc/84/72/78/1022847278.db2.gz XHWZGDZUHLDCPE-OAHLLOKOSA-N 1 2 332.469 3.758 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000517941775 1022866390 /nfs/dbraw/zinc/86/63/90/1022866390.db2.gz AMGOIDLFPOABSL-GOSISDBHSA-N 1 2 343.430 3.655 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cc1OCC ZINC000894771478 1022866701 /nfs/dbraw/zinc/86/67/01/1022866701.db2.gz JXLSHDJAYHRUIU-ZDUSSCGKSA-N 1 2 332.448 3.542 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894775971 1022873762 /nfs/dbraw/zinc/87/37/62/1022873762.db2.gz BPLDKZQTDKLGQJ-CQSZACIVSA-N 1 2 336.439 3.948 20 0 EHADLO Cc1ncoc1C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000894776787 1022885280 /nfs/dbraw/zinc/88/52/80/1022885280.db2.gz KLJIQUGFAZULRC-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO CCc1noc(C)c1C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000293666209 1022886148 /nfs/dbraw/zinc/88/61/48/1022886148.db2.gz JAZKENVPLYQKOU-OAHLLOKOSA-N 1 2 326.799 3.815 20 0 EHADLO Cc1ccncc1N1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000536337485 1022898494 /nfs/dbraw/zinc/89/84/94/1022898494.db2.gz ZWWRBMYLSNFNGL-KRWDZBQOSA-N 1 2 348.450 3.928 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[C@H]2C(C)C)c(C)c1 ZINC000476279957 1033093472 /nfs/dbraw/zinc/09/34/72/1033093472.db2.gz VHVKWZXMLOUUOR-FHWLQOOXSA-N 1 2 325.456 3.650 20 0 EHADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000933768506 1022960421 /nfs/dbraw/zinc/96/04/21/1022960421.db2.gz RODMDGBTWFBZTQ-RXABAKJHSA-N 1 2 337.467 3.502 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000933769259 1022965825 /nfs/dbraw/zinc/96/58/25/1022965825.db2.gz ZTTZWNCPAIRSST-AKHDSKFASA-N 1 2 337.467 3.646 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)c1C ZINC000189314710 1022998672 /nfs/dbraw/zinc/99/86/72/1022998672.db2.gz UWGCNCHCOYEDMD-UHFFFAOYSA-N 1 2 338.451 3.680 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CC2(c3ccccc3)CC2)c1C ZINC000189314710 1022998680 /nfs/dbraw/zinc/99/86/80/1022998680.db2.gz UWGCNCHCOYEDMD-UHFFFAOYSA-N 1 2 338.451 3.680 20 0 EHADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH+]1CC2(C1)CCCCC2 ZINC000894823455 1023028814 /nfs/dbraw/zinc/02/88/14/1023028814.db2.gz ZOBODUTYMQVSIQ-UHFFFAOYSA-N 1 2 334.464 3.533 20 0 EHADLO CCCCc1nc(C[NH+]2CCC(Nc3ccccn3)CC2)cs1 ZINC000536367699 1023068637 /nfs/dbraw/zinc/06/86/37/1023068637.db2.gz CIURQUDVXWOFCC-UHFFFAOYSA-N 1 2 330.501 3.957 20 0 EHADLO CCCCc1nc(CN2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000536367699 1023068645 /nfs/dbraw/zinc/06/86/45/1023068645.db2.gz CIURQUDVXWOFCC-UHFFFAOYSA-N 1 2 330.501 3.957 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000341705689 1023080207 /nfs/dbraw/zinc/08/02/07/1023080207.db2.gz JJFRPCYSPNLWTN-QGZVFWFLSA-N 1 2 331.366 3.627 20 0 EHADLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1F)c1cccc(OC)c1 ZINC000510745796 1023090666 /nfs/dbraw/zinc/09/06/66/1023090666.db2.gz DVZNSHUCDRGZIP-IBGZPJMESA-N 1 2 349.377 3.542 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891862966 1023120736 /nfs/dbraw/zinc/12/07/36/1023120736.db2.gz YCWZYAJRKQJZJY-QGZVFWFLSA-N 1 2 325.412 3.995 20 0 EHADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OC)o1 ZINC000891862966 1023120738 /nfs/dbraw/zinc/12/07/38/1023120738.db2.gz YCWZYAJRKQJZJY-QGZVFWFLSA-N 1 2 325.412 3.995 20 0 EHADLO C[C@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470943 1023140657 /nfs/dbraw/zinc/14/06/57/1023140657.db2.gz WJZIUGAAEZRICQ-OAGGEKHMSA-N 1 2 326.444 3.763 20 0 EHADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441479011 1023142070 /nfs/dbraw/zinc/14/20/70/1023142070.db2.gz GRBFFKCTQNZDFF-WSTZPKSXSA-N 1 2 325.456 3.794 20 0 EHADLO Fc1ccc(C2([NH2+]Cc3csc(Cl)n3)CCOCC2)cc1 ZINC000295001936 1023145290 /nfs/dbraw/zinc/14/52/90/1023145290.db2.gz RUVKUFOHNUVUJD-UHFFFAOYSA-N 1 2 326.824 3.731 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000346019974 1023167462 /nfs/dbraw/zinc/16/74/62/1023167462.db2.gz WYKKMERYSXYUTG-SFHVURJKSA-N 1 2 344.480 3.763 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000507184250 1023170210 /nfs/dbraw/zinc/17/02/10/1023170210.db2.gz UKXUXDNMXJYKCO-DOTOQJQBSA-N 1 2 346.519 3.933 20 0 EHADLO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1F ZINC000644907313 1023184042 /nfs/dbraw/zinc/18/40/42/1023184042.db2.gz UZIGEGZBNKVWJG-CRAIPNDOSA-N 1 2 335.806 3.796 20 0 EHADLO COc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1F ZINC000644907313 1023184048 /nfs/dbraw/zinc/18/40/48/1023184048.db2.gz UZIGEGZBNKVWJG-CRAIPNDOSA-N 1 2 335.806 3.796 20 0 EHADLO CCc1nocc1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000507210938 1023188591 /nfs/dbraw/zinc/18/85/91/1023188591.db2.gz LHEFDOQNGVFNRC-AWEZNQCLSA-N 1 2 333.863 3.769 20 0 EHADLO CCc1nocc1C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000507210938 1023188596 /nfs/dbraw/zinc/18/85/96/1023188596.db2.gz LHEFDOQNGVFNRC-AWEZNQCLSA-N 1 2 333.863 3.769 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(C)o1 ZINC000441488220 1023206723 /nfs/dbraw/zinc/20/67/23/1023206723.db2.gz HZQMNJUMLIWCCB-IBGZPJMESA-N 1 2 337.423 3.881 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000438998386 1023210001 /nfs/dbraw/zinc/21/00/01/1023210001.db2.gz IRHQFGUYGIOKQC-UTKZUKDTSA-N 1 2 329.403 3.715 20 0 EHADLO CC[N@H+](Cc1ccnc(C)n1)Cc1cc(Br)ccc1F ZINC000507246561 1023211984 /nfs/dbraw/zinc/21/19/84/1023211984.db2.gz JIFMEECMWMZMBO-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO CC[N@@H+](Cc1ccnc(C)n1)Cc1cc(Br)ccc1F ZINC000507246561 1023211991 /nfs/dbraw/zinc/21/19/91/1023211991.db2.gz JIFMEECMWMZMBO-UHFFFAOYSA-N 1 2 338.224 3.709 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000431082902 1023237696 /nfs/dbraw/zinc/23/76/96/1023237696.db2.gz WULGAQGWLWGICR-PMACEKPBSA-N 1 2 341.426 3.693 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000439064595 1023255577 /nfs/dbraw/zinc/25/55/77/1023255577.db2.gz MQWZKMLVQSJYHS-HNNXBMFYSA-N 1 2 327.472 3.663 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC(c3cccc(Cl)c3)C2)c[nH+]1 ZINC000459089915 1023275481 /nfs/dbraw/zinc/27/54/81/1023275481.db2.gz ZALNWDCIKFIQNQ-UHFFFAOYSA-N 1 2 329.831 3.661 20 0 EHADLO CSCCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441497262 1023287417 /nfs/dbraw/zinc/28/74/17/1023287417.db2.gz JNNAJCYJNFETGR-GOSISDBHSA-N 1 2 345.512 3.891 20 0 EHADLO C[C@@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554917 1023289695 /nfs/dbraw/zinc/28/96/95/1023289695.db2.gz CTMKTCNDUOSDHU-PXAZEXFGSA-N 1 2 346.272 3.681 20 0 EHADLO C[C@@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc(Br)cn1 ZINC000684554917 1023289701 /nfs/dbraw/zinc/28/97/01/1023289701.db2.gz CTMKTCNDUOSDHU-PXAZEXFGSA-N 1 2 346.272 3.681 20 0 EHADLO Cc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000341785993 1023310998 /nfs/dbraw/zinc/31/09/98/1023310998.db2.gz OQFGHXSMDQXBKF-UHFFFAOYSA-N 1 2 325.437 3.574 20 0 EHADLO Cc1cccc(C[N@@H+](Cc2c3c(nn2C)CCC3)Cc2ccccn2)c1 ZINC000891936285 1023452540 /nfs/dbraw/zinc/45/25/40/1023452540.db2.gz VPVKYLRSKHBHNI-UHFFFAOYSA-N 1 2 346.478 3.815 20 0 EHADLO Cc1cccc(C[N@H+](Cc2c3c(nn2C)CCC3)Cc2ccccn2)c1 ZINC000891936285 1023452546 /nfs/dbraw/zinc/45/25/46/1023452546.db2.gz VPVKYLRSKHBHNI-UHFFFAOYSA-N 1 2 346.478 3.815 20 0 EHADLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000093643419 1023496248 /nfs/dbraw/zinc/49/62/48/1023496248.db2.gz ORPKSDKSTXHJOV-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000093643419 1023496251 /nfs/dbraw/zinc/49/62/51/1023496251.db2.gz ORPKSDKSTXHJOV-UHFFFAOYSA-N 1 2 331.481 3.529 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212735902 1033137468 /nfs/dbraw/zinc/13/74/68/1033137468.db2.gz WWUVZFBTBDHUCT-UHFFFAOYSA-N 1 2 327.472 3.722 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212735902 1033137483 /nfs/dbraw/zinc/13/74/83/1033137483.db2.gz WWUVZFBTBDHUCT-UHFFFAOYSA-N 1 2 327.472 3.722 20 0 EHADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143417234 1023596183 /nfs/dbraw/zinc/59/61/83/1023596183.db2.gz CDVVVCUXPYRMIC-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001143417234 1023596188 /nfs/dbraw/zinc/59/61/88/1023596188.db2.gz CDVVVCUXPYRMIC-AWEZNQCLSA-N 1 2 331.362 3.678 20 0 EHADLO Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)c(C)c[nH+]1 ZINC000535748602 1023605089 /nfs/dbraw/zinc/60/50/89/1023605089.db2.gz NNHUQUMYJZVJOE-UHFFFAOYSA-N 1 2 335.382 3.937 20 0 EHADLO COc1ccccc1C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000535772597 1023623059 /nfs/dbraw/zinc/62/30/59/1023623059.db2.gz NMEOLVYXUBIRJH-KRWDZBQOSA-N 1 2 341.455 3.518 20 0 EHADLO CCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000535772986 1023624048 /nfs/dbraw/zinc/62/40/48/1023624048.db2.gz YPYRJTUYANFPJT-INIZCTEOSA-N 1 2 341.455 3.614 20 0 EHADLO CCc1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000535775921 1023626687 /nfs/dbraw/zinc/62/66/87/1023626687.db2.gz IVNMDOOJPDEAPL-UHFFFAOYSA-N 1 2 327.453 3.981 20 0 EHADLO CCc1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000535775921 1023626695 /nfs/dbraw/zinc/62/66/95/1023626695.db2.gz IVNMDOOJPDEAPL-UHFFFAOYSA-N 1 2 327.453 3.981 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000535781977 1023630341 /nfs/dbraw/zinc/63/03/41/1023630341.db2.gz ZBOSGXUBKRQOLE-ZDUSSCGKSA-N 1 2 337.510 3.907 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000535781977 1023630344 /nfs/dbraw/zinc/63/03/44/1023630344.db2.gz ZBOSGXUBKRQOLE-ZDUSSCGKSA-N 1 2 337.510 3.907 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)s1 ZINC000602774793 1033152518 /nfs/dbraw/zinc/15/25/18/1033152518.db2.gz BHZVUQQWIJVQQT-SNVBAGLBSA-N 1 2 339.486 3.586 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)s1 ZINC000602774793 1033152532 /nfs/dbraw/zinc/15/25/32/1033152532.db2.gz BHZVUQQWIJVQQT-SNVBAGLBSA-N 1 2 339.486 3.586 20 0 EHADLO COC[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000449761178 1033153309 /nfs/dbraw/zinc/15/33/09/1033153309.db2.gz VKNCRMPIXVTSIB-INIZCTEOSA-N 1 2 332.469 3.723 20 0 EHADLO COC[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000449761178 1033153319 /nfs/dbraw/zinc/15/33/19/1033153319.db2.gz VKNCRMPIXVTSIB-INIZCTEOSA-N 1 2 332.469 3.723 20 0 EHADLO CC(C)(C)Oc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000934049059 1023690889 /nfs/dbraw/zinc/69/08/89/1023690889.db2.gz XXBNQOVRYRFULM-UHFFFAOYSA-N 1 2 338.411 3.833 20 0 EHADLO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccccn1 ZINC000277009710 1023697369 /nfs/dbraw/zinc/69/73/69/1023697369.db2.gz XXWGCHZTIPKGHY-UHFFFAOYSA-N 1 2 341.274 3.554 20 0 EHADLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccccn1 ZINC000277009710 1023697373 /nfs/dbraw/zinc/69/73/73/1023697373.db2.gz XXWGCHZTIPKGHY-UHFFFAOYSA-N 1 2 341.274 3.554 20 0 EHADLO CCOc1ccc([C@@H](COC)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000341974789 1023728451 /nfs/dbraw/zinc/72/84/51/1023728451.db2.gz SKEXIFBBSQIAFT-MRXNPFEDSA-N 1 2 332.469 3.897 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCC2(CC2)C1 ZINC000897772267 1033161292 /nfs/dbraw/zinc/16/12/92/1033161292.db2.gz QBLJMPOETOQWTE-INIZCTEOSA-N 1 2 332.492 3.590 20 0 EHADLO CCOC(=O)CC[N@H+](Cn1c2ccccc2n(CC)c1=S)C1CC1 ZINC000065187799 1023874379 /nfs/dbraw/zinc/87/43/79/1023874379.db2.gz QYAUVZORCIUHOI-UHFFFAOYSA-N 1 2 347.484 3.567 20 0 EHADLO CCOC(=O)CC[N@@H+](Cn1c2ccccc2n(CC)c1=S)C1CC1 ZINC000065187799 1023874387 /nfs/dbraw/zinc/87/43/87/1023874387.db2.gz QYAUVZORCIUHOI-UHFFFAOYSA-N 1 2 347.484 3.567 20 0 EHADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610949740 1023900801 /nfs/dbraw/zinc/90/08/01/1023900801.db2.gz CBJXCLZIYUISPU-WMZOPIPTSA-N 1 2 343.496 3.616 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884134 1023941412 /nfs/dbraw/zinc/94/14/12/1023941412.db2.gz BAHNMZWCKLDSFQ-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884134 1023941419 /nfs/dbraw/zinc/94/14/19/1023941419.db2.gz BAHNMZWCKLDSFQ-HOTGVXAUSA-N 1 2 338.854 3.921 20 0 EHADLO O=C(/C=C/Sc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000728420013 1023952065 /nfs/dbraw/zinc/95/20/65/1023952065.db2.gz VQGIRALMPOQFTK-NTUHNPAUSA-N 1 2 344.505 3.698 20 0 EHADLO Cc1[nH]c([C@@H]2CCCN2c2ncc(Br)cc2F)[nH+]c1C ZINC000895197923 1023954577 /nfs/dbraw/zinc/95/45/77/1023954577.db2.gz XKBMHGXWTVMAGR-LBPRGKRZSA-N 1 2 339.212 3.665 20 0 EHADLO O=C(CCSc1ccccc1Cl)NCCCCn1cc[nH+]c1 ZINC000522189431 1024005818 /nfs/dbraw/zinc/00/58/18/1024005818.db2.gz GYGKUSVYSCVRMS-UHFFFAOYSA-N 1 2 337.876 3.615 20 0 EHADLO CO[C@H](C[N@H+](C)CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000513970762 1024020487 /nfs/dbraw/zinc/02/04/87/1024020487.db2.gz XAJCRFQPLDDPIZ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO CO[C@H](C[N@@H+](C)CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000513970762 1024020501 /nfs/dbraw/zinc/02/05/01/1024020501.db2.gz XAJCRFQPLDDPIZ-GOSISDBHSA-N 1 2 346.858 3.906 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513991507 1024020667 /nfs/dbraw/zinc/02/06/67/1024020667.db2.gz HGWZGSOMFLEOFH-IBGZPJMESA-N 1 2 342.870 3.754 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280348615 1024041326 /nfs/dbraw/zinc/04/13/26/1024041326.db2.gz SSDLZSQNGYVSIR-AWEZNQCLSA-N 1 2 347.283 3.687 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000513999633 1024041651 /nfs/dbraw/zinc/04/16/51/1024041651.db2.gz OJXDPMISSYJUTP-FZKQIMNGSA-N 1 2 346.833 3.756 20 0 EHADLO Cc1ccccc1CCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514001748 1024043328 /nfs/dbraw/zinc/04/33/28/1024043328.db2.gz NKEBJACTRAVCAZ-LJQANCHMSA-N 1 2 342.870 3.754 20 0 EHADLO CC(C)C[C@H](C(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000665106549 1024050965 /nfs/dbraw/zinc/05/09/65/1024050965.db2.gz PWDNCPHFEALEEO-KRWDZBQOSA-N 1 2 333.863 3.873 20 0 EHADLO CCN(CC)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099861 1024055855 /nfs/dbraw/zinc/05/58/55/1024055855.db2.gz PVXFYNNYCPCEKI-OAHLLOKOSA-N 1 2 341.858 3.667 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000434472275 1024058732 /nfs/dbraw/zinc/05/87/32/1024058732.db2.gz YNWLDVUCEKBAQS-NSHDSACASA-N 1 2 328.338 3.608 20 0 EHADLO CCC[C@@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343301325 1024068559 /nfs/dbraw/zinc/06/85/59/1024068559.db2.gz OTKIQBFGUIJGGO-OAHLLOKOSA-N 1 2 339.443 3.698 20 0 EHADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000434498483 1024100736 /nfs/dbraw/zinc/10/07/36/1024100736.db2.gz UBTMYORFOBDZRM-SECBINFHSA-N 1 2 329.267 3.534 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000346030582 1024102296 /nfs/dbraw/zinc/10/22/96/1024102296.db2.gz LFYMADGVRKGQGE-OAQYLSRUSA-N 1 2 345.402 3.994 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H]1C1CCCC1)C2 ZINC000475028271 1024104296 /nfs/dbraw/zinc/10/42/96/1024104296.db2.gz ABGAOGNWJXNMPP-MAUKXSAKSA-N 1 2 329.488 3.819 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]1C1CCCC1)CC2 ZINC000475028271 1024104309 /nfs/dbraw/zinc/10/43/09/1024104309.db2.gz ABGAOGNWJXNMPP-MAUKXSAKSA-N 1 2 329.488 3.819 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2nc(C(C)C)cs2)c1 ZINC000151358915 1024105261 /nfs/dbraw/zinc/10/52/61/1024105261.db2.gz BFJSFOHHJAKGFO-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000151445726 1024109781 /nfs/dbraw/zinc/10/97/81/1024109781.db2.gz AUJAHNZIONXKOS-UHFFFAOYSA-N 1 2 331.485 3.800 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnc(N(C)C)s2)c2ccco2)cc1 ZINC000449769302 1033187196 /nfs/dbraw/zinc/18/71/96/1033187196.db2.gz DFAKKMVUDDHXEW-QGZVFWFLSA-N 1 2 343.452 3.690 20 0 EHADLO Cc1cc(Cl)c(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000443935188 1024129799 /nfs/dbraw/zinc/12/97/99/1024129799.db2.gz AJKUGNAGPNLJOC-SNVBAGLBSA-N 1 2 327.215 3.709 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000514132322 1024157959 /nfs/dbraw/zinc/15/79/59/1024157959.db2.gz JPSLNNNGHGPKOB-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000514132322 1024157969 /nfs/dbraw/zinc/15/79/69/1024157969.db2.gz JPSLNNNGHGPKOB-HNNXBMFYSA-N 1 2 344.430 3.992 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Cl ZINC000178973093 1024185243 /nfs/dbraw/zinc/18/52/43/1024185243.db2.gz RBLVPAZSINVZDT-ZQHYZAEZSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000342129771 1024198261 /nfs/dbraw/zinc/19/82/61/1024198261.db2.gz OCZGMTIGKIRFNN-CQSZACIVSA-N 1 2 339.370 3.726 20 0 EHADLO CCc1cc(=O)n(C[N@H+](CC)CCC2CC2)nc1-c1ccccc1 ZINC000840047485 1024217231 /nfs/dbraw/zinc/21/72/31/1024217231.db2.gz HODSVLAPRKCUIM-UHFFFAOYSA-N 1 2 325.456 3.552 20 0 EHADLO CCc1cc(=O)n(C[N@@H+](CC)CCC2CC2)nc1-c1ccccc1 ZINC000840047485 1024217245 /nfs/dbraw/zinc/21/72/45/1024217245.db2.gz HODSVLAPRKCUIM-UHFFFAOYSA-N 1 2 325.456 3.552 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329890071 1024237343 /nfs/dbraw/zinc/23/73/43/1024237343.db2.gz FNXZTOZIRKYUBR-WQGACYEGSA-N 1 2 347.846 3.950 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329890071 1024237360 /nfs/dbraw/zinc/23/73/60/1024237360.db2.gz FNXZTOZIRKYUBR-WQGACYEGSA-N 1 2 347.846 3.950 20 0 EHADLO O=C(Nc1ccccc1COc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151629501 1024256111 /nfs/dbraw/zinc/25/61/11/1024256111.db2.gz DQKSQHZVDQOKTJ-MRXNPFEDSA-N 1 2 347.418 3.663 20 0 EHADLO CCc1nnc(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)s1 ZINC000895309014 1024267286 /nfs/dbraw/zinc/26/72/86/1024267286.db2.gz KUTMSEHDBSBECU-UHFFFAOYSA-N 1 2 348.472 3.737 20 0 EHADLO CC1(C)C[C@H](O)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000395341195 1024267548 /nfs/dbraw/zinc/26/75/48/1024267548.db2.gz BTWHNDGNVFZSOC-SNVBAGLBSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000395341195 1024267564 /nfs/dbraw/zinc/26/75/64/1024267564.db2.gz BTWHNDGNVFZSOC-SNVBAGLBSA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000395341193 1024268450 /nfs/dbraw/zinc/26/84/50/1024268450.db2.gz BTWHNDGNVFZSOC-JTQLQIEISA-N 1 2 348.231 3.710 20 0 EHADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000395341193 1024268466 /nfs/dbraw/zinc/26/84/66/1024268466.db2.gz BTWHNDGNVFZSOC-JTQLQIEISA-N 1 2 348.231 3.710 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(CC3CC3)CC3CC3)cn2c1 ZINC000522345203 1024280175 /nfs/dbraw/zinc/28/01/75/1024280175.db2.gz MPBMHDYTKZZPIL-UHFFFAOYSA-N 1 2 343.496 3.525 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000434687981 1024295524 /nfs/dbraw/zinc/29/55/24/1024295524.db2.gz GWIZQXDJLUPIJG-JKSUJKDBSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H]2c2ccsc2)CCN1c1c(F)cccc1F ZINC000434687981 1024295537 /nfs/dbraw/zinc/29/55/37/1024295537.db2.gz GWIZQXDJLUPIJG-JKSUJKDBSA-N 1 2 348.418 3.969 20 0 EHADLO Cc1cc(CNc2ccc([C@@H](C)CC(N)=O)cc2)c2c([nH+]1)CCCC2 ZINC000897838763 1033203751 /nfs/dbraw/zinc/20/37/51/1033203751.db2.gz QUHUWYSWVWZENO-AWEZNQCLSA-N 1 2 337.467 3.860 20 0 EHADLO CC(C)COC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000101596984 1024343967 /nfs/dbraw/zinc/34/39/67/1024343967.db2.gz DSEFCTXAGIOHPL-IBGZPJMESA-N 1 2 339.439 3.969 20 0 EHADLO COc1ccc(OC)c(C[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000101597059 1024345740 /nfs/dbraw/zinc/34/57/40/1024345740.db2.gz FGTRFZXCNZKVAR-QGZVFWFLSA-N 1 2 333.428 3.800 20 0 EHADLO CC(C)c1nc2[nH]ccc2c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895346854 1024346117 /nfs/dbraw/zinc/34/61/17/1024346117.db2.gz LSCXMVFPNXGAOL-UHFFFAOYSA-N 1 2 336.443 3.557 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)[nH]1 ZINC000330233272 1024364923 /nfs/dbraw/zinc/36/49/23/1024364923.db2.gz FYGCYUAWIXCPCE-UHFFFAOYSA-N 1 2 341.434 3.928 20 0 EHADLO COc1cccc2sc(NCc3ccc(-n4cc[nH+]c4)cc3)nc21 ZINC000346116545 1024416086 /nfs/dbraw/zinc/41/60/86/1024416086.db2.gz IWKNZWDECQWZBO-UHFFFAOYSA-N 1 2 336.420 3.525 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505530376 1024444516 /nfs/dbraw/zinc/44/45/16/1024444516.db2.gz QBHLPNFKCVTBSK-WLMDGNKMSA-N 1 2 338.426 3.711 20 0 EHADLO Cc1cnc(CN(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC000684669606 1024463355 /nfs/dbraw/zinc/46/33/55/1024463355.db2.gz XGALHKYTSUNNTH-UHFFFAOYSA-N 1 2 330.819 3.535 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000459132309 1024481169 /nfs/dbraw/zinc/48/11/69/1024481169.db2.gz BUKIYCVBJMVVFT-RSJGLCBASA-N 1 2 332.492 3.690 20 0 EHADLO CC(C)(C)[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425241897 1024507415 /nfs/dbraw/zinc/50/74/15/1024507415.db2.gz NYWAOEUBRPWKLQ-SJORKVTESA-N 1 2 325.456 3.826 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@](F)(c3ccccc3)C1)CSCC2 ZINC000895453613 1024510434 /nfs/dbraw/zinc/51/04/34/1024510434.db2.gz CSFLPAIENOULIB-LJQANCHMSA-N 1 2 345.487 3.670 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@](F)(c3ccccc3)C1)CSCC2 ZINC000895453613 1024510442 /nfs/dbraw/zinc/51/04/42/1024510442.db2.gz CSFLPAIENOULIB-LJQANCHMSA-N 1 2 345.487 3.670 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000895456966 1024520436 /nfs/dbraw/zinc/52/04/36/1024520436.db2.gz BGBJRCZSBFEFQG-LBPRGKRZSA-N 1 2 339.361 3.823 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000346236155 1024549923 /nfs/dbraw/zinc/54/99/23/1024549923.db2.gz LTSWHEGPMZKHAW-UHFFFAOYSA-N 1 2 345.406 3.522 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nn(CC)c2ccccc12)c1nnc2ccccn21 ZINC000472062738 1024555000 /nfs/dbraw/zinc/55/50/00/1024555000.db2.gz KYUSUYSXLGLJNI-MRXNPFEDSA-N 1 2 348.454 3.730 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCCCOc2ccc(Cl)cc2)c[nH+]1 ZINC000895496628 1024568214 /nfs/dbraw/zinc/56/82/14/1024568214.db2.gz UDGJPWGSPKUTOD-UHFFFAOYSA-N 1 2 349.862 3.555 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459758 1024581856 /nfs/dbraw/zinc/58/18/56/1024581856.db2.gz ZFVSRZLDUUFREA-CABCVRRESA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000114459758 1024581873 /nfs/dbraw/zinc/58/18/73/1024581873.db2.gz ZFVSRZLDUUFREA-CABCVRRESA-N 1 2 345.270 3.557 20 0 EHADLO Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000602868878 1033221138 /nfs/dbraw/zinc/22/11/38/1033221138.db2.gz YGWDMMCBJQRJGC-OAHLLOKOSA-N 1 2 344.484 3.580 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760067168 1024587627 /nfs/dbraw/zinc/58/76/27/1024587627.db2.gz DNGHMMDYEMOYAV-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CC(C)CCc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)nc1 ZINC000520745216 1024592722 /nfs/dbraw/zinc/59/27/22/1024592722.db2.gz ZQBJOVPQZSFSFF-UHFFFAOYSA-N 1 2 335.411 3.503 20 0 EHADLO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC000116393181 1024612450 /nfs/dbraw/zinc/61/24/50/1024612450.db2.gz ATKVGJCSLHVJDU-SCLBCKFNSA-N 1 2 329.444 3.552 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(-c2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000665200234 1024617182 /nfs/dbraw/zinc/61/71/82/1024617182.db2.gz MWKIWTHNNIPIRN-UHFFFAOYSA-N 1 2 335.444 3.736 20 0 EHADLO Cc1cc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)nc(C2CC2)[nH+]1 ZINC000190842980 1024624726 /nfs/dbraw/zinc/62/47/26/1024624726.db2.gz SOJCTBDAXWDIQL-LBPRGKRZSA-N 1 2 342.409 3.737 20 0 EHADLO C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000684686822 1024626561 /nfs/dbraw/zinc/62/65/61/1024626561.db2.gz QVLYJRSQRKWHSP-IBGZPJMESA-N 1 2 338.386 3.669 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccco1 ZINC000346351598 1024645392 /nfs/dbraw/zinc/64/53/92/1024645392.db2.gz NMWVNRBGGSFUAY-UHFFFAOYSA-N 1 2 338.354 3.730 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccco1 ZINC000346351598 1024645402 /nfs/dbraw/zinc/64/54/02/1024645402.db2.gz NMWVNRBGGSFUAY-UHFFFAOYSA-N 1 2 338.354 3.730 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C)CC3)cn2c1 ZINC000346355066 1024650349 /nfs/dbraw/zinc/65/03/49/1024650349.db2.gz HLASBFVPTJBHQO-AWEZNQCLSA-N 1 2 331.485 3.525 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000474258065 1024655508 /nfs/dbraw/zinc/65/55/08/1024655508.db2.gz JIIDXMVEQVEUKU-UHFFFAOYSA-N 1 2 325.456 3.716 20 0 EHADLO Cc1ccccc1-n1nccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000474258065 1024655512 /nfs/dbraw/zinc/65/55/12/1024655512.db2.gz JIIDXMVEQVEUKU-UHFFFAOYSA-N 1 2 325.456 3.716 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2c(Cl)cccc2Cl)c[nH+]1 ZINC000895638694 1024683142 /nfs/dbraw/zinc/68/31/42/1024683142.db2.gz HJCUPTRDNHFRSD-UHFFFAOYSA-N 1 2 326.227 3.550 20 0 EHADLO CSCc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000892099003 1024683387 /nfs/dbraw/zinc/68/33/87/1024683387.db2.gz XOEAPDADGPARKP-UHFFFAOYSA-N 1 2 349.521 3.585 20 0 EHADLO CSCc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000892099003 1024683395 /nfs/dbraw/zinc/68/33/95/1024683395.db2.gz XOEAPDADGPARKP-UHFFFAOYSA-N 1 2 349.521 3.585 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[nH]1 ZINC000277335749 1024686845 /nfs/dbraw/zinc/68/68/45/1024686845.db2.gz USERKBANGADQPA-RWMBFGLXSA-N 1 2 329.448 3.688 20 0 EHADLO O=C(C/C=C\c1ccccc1F)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343355483 1024692403 /nfs/dbraw/zinc/69/24/03/1024692403.db2.gz WOMLZMXSJUQKMW-HYXAFXHYSA-N 1 2 336.370 3.508 20 0 EHADLO CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000425301481 1024700045 /nfs/dbraw/zinc/70/00/45/1024700045.db2.gz MDFJTZMFXJYIBN-SJORKVTESA-N 1 2 325.456 3.969 20 0 EHADLO Cc1ncsc1C[NH+]1CC2(CN(Cc3ccc(C(F)F)cc3)C2)C1 ZINC001279141523 1024700683 /nfs/dbraw/zinc/70/06/83/1024700683.db2.gz USFPJSGXYCVZLW-UHFFFAOYSA-N 1 2 349.450 3.707 20 0 EHADLO Cc1cccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000346418615 1024704860 /nfs/dbraw/zinc/70/48/60/1024704860.db2.gz LEKKCEPRCNBHET-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO CC(C)CCc1noc(C[N@H+](C)CCCOc2ccc(F)cc2)n1 ZINC000520782059 1024717010 /nfs/dbraw/zinc/71/70/10/1024717010.db2.gz JVJVKLKIHHKCHZ-UHFFFAOYSA-N 1 2 335.423 3.698 20 0 EHADLO CC(C)CCc1noc(C[N@@H+](C)CCCOc2ccc(F)cc2)n1 ZINC000520782059 1024717020 /nfs/dbraw/zinc/71/70/20/1024717020.db2.gz JVJVKLKIHHKCHZ-UHFFFAOYSA-N 1 2 335.423 3.698 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(C3CCC3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000892103562 1024717072 /nfs/dbraw/zinc/71/70/72/1024717072.db2.gz YXIMRORGMYJNHM-LIRRHRJNSA-N 1 2 329.419 3.709 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000892103562 1024717081 /nfs/dbraw/zinc/71/70/81/1024717081.db2.gz YXIMRORGMYJNHM-LIRRHRJNSA-N 1 2 329.419 3.709 20 0 EHADLO CC[C@H](C)c1ncc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 ZINC000425304317 1024725645 /nfs/dbraw/zinc/72/56/45/1024725645.db2.gz PXVRPKCYEQTOAF-YOEHRIQHSA-N 1 2 349.438 3.874 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2cccc(F)c2F)n1 ZINC000343550559 1024753102 /nfs/dbraw/zinc/75/31/02/1024753102.db2.gz ATBNTRNZSJRSGX-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2cccc(F)c2F)n1 ZINC000343550559 1024753112 /nfs/dbraw/zinc/75/31/12/1024753112.db2.gz ATBNTRNZSJRSGX-LLVKDONJSA-N 1 2 341.427 3.836 20 0 EHADLO COCc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000346467027 1024780938 /nfs/dbraw/zinc/78/09/38/1024780938.db2.gz TXKCGHODTRVNBZ-FQEVSTJZSA-N 1 2 337.398 3.641 20 0 EHADLO CN(C)c1ncccc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346503721 1024782547 /nfs/dbraw/zinc/78/25/47/1024782547.db2.gz WAGNBUGDZGNJAZ-LJQANCHMSA-N 1 2 336.414 3.561 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc2[nH]c(=O)oc2c1 ZINC000895774987 1024817992 /nfs/dbraw/zinc/81/79/92/1024817992.db2.gz KHAOCOLAVDIKFM-SSDOTTSWSA-N 1 2 343.330 3.860 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1OCc1ccccc1 ZINC000508057633 1024876757 /nfs/dbraw/zinc/87/67/57/1024876757.db2.gz NGCPDEASQPJMCA-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1OCc1ccccc1 ZINC000508057633 1024876769 /nfs/dbraw/zinc/87/67/69/1024876769.db2.gz NGCPDEASQPJMCA-DLBZAZTESA-N 1 2 341.451 3.883 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000425367415 1024877142 /nfs/dbraw/zinc/87/71/42/1024877142.db2.gz IAQDJUWXJJPJRY-MRXNPFEDSA-N 1 2 349.276 3.959 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)s1 ZINC000346551063 1024890303 /nfs/dbraw/zinc/89/03/03/1024890303.db2.gz GJQUSQHPQHSZQH-QGZVFWFLSA-N 1 2 328.416 3.568 20 0 EHADLO COC(=O)c1sccc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000895832363 1024897715 /nfs/dbraw/zinc/89/77/15/1024897715.db2.gz GHIGNXCUIAFDOA-UHFFFAOYSA-N 1 2 345.342 3.565 20 0 EHADLO O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428010430 1024937346 /nfs/dbraw/zinc/93/73/46/1024937346.db2.gz WROPYPGSDWLXCA-CQSZACIVSA-N 1 2 349.887 3.540 20 0 EHADLO Cn1ccc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC000346604841 1024943206 /nfs/dbraw/zinc/94/32/06/1024943206.db2.gz FBFRVYCNGRMZDH-UHFFFAOYSA-N 1 2 330.391 3.675 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000346611896 1024952743 /nfs/dbraw/zinc/95/27/43/1024952743.db2.gz XZXJPCVENFHOAB-KRWDZBQOSA-N 1 2 328.456 3.846 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000346611896 1024952749 /nfs/dbraw/zinc/95/27/49/1024952749.db2.gz XZXJPCVENFHOAB-KRWDZBQOSA-N 1 2 328.456 3.846 20 0 EHADLO COc1c(C)c[nH+]c(CNc2cccc([C@H]3CCCC(=O)N3)c2)c1C ZINC000895896012 1024962435 /nfs/dbraw/zinc/96/24/35/1024962435.db2.gz YKLSVTIUWPHMBJ-QGZVFWFLSA-N 1 2 339.439 3.660 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)COC3)c2cnccn2)cc1 ZINC000346632872 1024972249 /nfs/dbraw/zinc/97/22/49/1024972249.db2.gz HUHIARYRYWGYGS-HXUWFJFHSA-N 1 2 335.382 3.525 20 0 EHADLO FC(F)(F)Cc1ncc(C[NH2+]Cc2ncc(Cl)s2)s1 ZINC000895931374 1024986938 /nfs/dbraw/zinc/98/69/38/1024986938.db2.gz LLMXAPWFTSBRKN-UHFFFAOYSA-N 1 2 327.784 3.648 20 0 EHADLO Cc1cc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC000346664456 1025001881 /nfs/dbraw/zinc/00/18/81/1025001881.db2.gz ZAFNEJXIKGIVJG-UHFFFAOYSA-N 1 2 326.343 3.562 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(COc2ccccc2)c1 ZINC000892148710 1025010092 /nfs/dbraw/zinc/01/00/92/1025010092.db2.gz KCHJRXTWYMPAGF-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(COc2ccccc2)c1 ZINC000892148710 1025010108 /nfs/dbraw/zinc/01/01/08/1025010108.db2.gz KCHJRXTWYMPAGF-HXUWFJFHSA-N 1 2 348.450 3.731 20 0 EHADLO COCC1C[NH+](Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000895970779 1025028067 /nfs/dbraw/zinc/02/80/67/1025028067.db2.gz GLQFNALDXLVSRJ-UHFFFAOYSA-N 1 2 333.863 3.529 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)o1 ZINC000428221478 1025056019 /nfs/dbraw/zinc/05/60/19/1025056019.db2.gz KNTUDVRZSXLMNO-QKFKETGDSA-N 1 2 334.485 3.866 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)o1 ZINC000428221478 1025056033 /nfs/dbraw/zinc/05/60/33/1025056033.db2.gz KNTUDVRZSXLMNO-QKFKETGDSA-N 1 2 334.485 3.866 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCc2ccccc21 ZINC000520800145 1025060401 /nfs/dbraw/zinc/06/04/01/1025060401.db2.gz HPHTUBRURNBKLA-UYAOXDASSA-N 1 2 345.446 3.778 20 0 EHADLO FC(F)c1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000425400781 1025061517 /nfs/dbraw/zinc/06/15/17/1025061517.db2.gz DHQCBZPDVMIJCZ-LLVKDONJSA-N 1 2 327.762 3.868 20 0 EHADLO FC(F)c1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000425400781 1025061532 /nfs/dbraw/zinc/06/15/32/1025061532.db2.gz DHQCBZPDVMIJCZ-LLVKDONJSA-N 1 2 327.762 3.868 20 0 EHADLO O=C(C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)NC1CCCC1 ZINC000511060398 1025113572 /nfs/dbraw/zinc/11/35/72/1025113572.db2.gz RUSXXRLRAKOQKN-UHFFFAOYSA-N 1 2 338.854 3.750 20 0 EHADLO O=C(C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)NC1CCCC1 ZINC000511060398 1025113577 /nfs/dbraw/zinc/11/35/77/1025113577.db2.gz RUSXXRLRAKOQKN-UHFFFAOYSA-N 1 2 338.854 3.750 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(Cl)c[nH]2)c(C)c1 ZINC000442003082 1025130375 /nfs/dbraw/zinc/13/03/75/1025130375.db2.gz VKJYSNPRLOJGDS-QGZVFWFLSA-N 1 2 342.830 3.653 20 0 EHADLO Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000346818643 1025145439 /nfs/dbraw/zinc/14/54/39/1025145439.db2.gz GMWJQQMAERKSDB-OAHLLOKOSA-N 1 2 337.423 3.584 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)CCCC(C)C ZINC000474572726 1025160503 /nfs/dbraw/zinc/16/05/03/1025160503.db2.gz FCQINYDBKCANJZ-LBPRGKRZSA-N 1 2 337.414 3.954 20 0 EHADLO C[C@H](CC(=O)N[C@H]1CCCOc2c(Cl)cccc21)n1cc[nH+]c1 ZINC000515303346 1025163287 /nfs/dbraw/zinc/16/32/87/1025163287.db2.gz APLZNMRXYDXLOV-DOMZBBRYSA-N 1 2 333.819 3.518 20 0 EHADLO Cc1ccc(CCC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000342391148 1025166389 /nfs/dbraw/zinc/16/63/89/1025166389.db2.gz GGPRNMRLWMZSFW-MRXNPFEDSA-N 1 2 344.430 3.565 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000469723919 1025175405 /nfs/dbraw/zinc/17/54/05/1025175405.db2.gz ZKWYKBNMIVZPPE-IBGZPJMESA-N 1 2 338.451 3.995 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000469723919 1025175411 /nfs/dbraw/zinc/17/54/11/1025175411.db2.gz ZKWYKBNMIVZPPE-IBGZPJMESA-N 1 2 338.451 3.995 20 0 EHADLO Cc1csc([C@@H](C)NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000515377189 1025206466 /nfs/dbraw/zinc/20/64/66/1025206466.db2.gz IIPPSINNDJDATH-UKRRQHHQSA-N 1 2 340.452 3.574 20 0 EHADLO CC(C)Oc1ccc(C(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000515428946 1025232727 /nfs/dbraw/zinc/23/27/27/1025232727.db2.gz RCKIFQIOTGITBM-UHFFFAOYSA-N 1 2 335.835 3.534 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000346843012 1025232776 /nfs/dbraw/zinc/23/27/76/1025232776.db2.gz KROJBHVQJHBLTO-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000346843012 1025232792 /nfs/dbraw/zinc/23/27/92/1025232792.db2.gz KROJBHVQJHBLTO-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO FC(F)c1noc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000425424226 1025247403 /nfs/dbraw/zinc/24/74/03/1025247403.db2.gz WCKMLWCQBUZGPV-NSHDSACASA-N 1 2 325.384 3.621 20 0 EHADLO FC(F)c1noc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000425424226 1025247418 /nfs/dbraw/zinc/24/74/18/1025247418.db2.gz WCKMLWCQBUZGPV-NSHDSACASA-N 1 2 325.384 3.621 20 0 EHADLO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccco1 ZINC000521188268 1025252210 /nfs/dbraw/zinc/25/22/10/1025252210.db2.gz VHGCMQHLGKFIHX-INIZCTEOSA-N 1 2 326.440 3.858 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccco1 ZINC000521188268 1025252220 /nfs/dbraw/zinc/25/22/20/1025252220.db2.gz VHGCMQHLGKFIHX-INIZCTEOSA-N 1 2 326.440 3.858 20 0 EHADLO CCCC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC)cc1 ZINC000152168382 1025259526 /nfs/dbraw/zinc/25/95/26/1025259526.db2.gz OLNLXFQNBKFWPN-LPHOPBHVSA-N 1 2 341.455 3.502 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000442432195 1025313364 /nfs/dbraw/zinc/31/33/64/1025313364.db2.gz BFGJVBPGARXKBA-SFHVURJKSA-N 1 2 340.471 3.676 20 0 EHADLO OCCSCc1cc[nH+]c(NCc2cc3c(cccc3F)[nH]2)c1 ZINC000436019682 1025319808 /nfs/dbraw/zinc/31/98/08/1025319808.db2.gz CITGZZMDNBVXEF-UHFFFAOYSA-N 1 2 331.416 3.540 20 0 EHADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346927736 1025320694 /nfs/dbraw/zinc/32/06/94/1025320694.db2.gz VOHMXTNSHSKFEX-CRAIPNDOSA-N 1 2 325.456 3.876 20 0 EHADLO CCc1cnccc1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000346976017 1025375885 /nfs/dbraw/zinc/37/58/85/1025375885.db2.gz YBFWAEGBBNGBDK-UHFFFAOYSA-N 1 2 331.379 3.606 20 0 EHADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000515602497 1025397074 /nfs/dbraw/zinc/39/70/74/1025397074.db2.gz FEFULHPDHYKCDF-UZLBHIALSA-N 1 2 340.467 3.954 20 0 EHADLO C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000607746625 1033276521 /nfs/dbraw/zinc/27/65/21/1033276521.db2.gz CQPKIDHZGXRKBY-AUUYWEPGSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000607746625 1033276533 /nfs/dbraw/zinc/27/65/33/1033276533.db2.gz CQPKIDHZGXRKBY-AUUYWEPGSA-N 1 2 333.378 3.806 20 0 EHADLO C[NH+](C)[C@@H](c1nc([C@@H]2CCOc3ccccc32)no1)c1ccccc1 ZINC000521508905 1025432771 /nfs/dbraw/zinc/43/27/71/1025432771.db2.gz DNDXKRFGYRDEAC-SJLPKXTDSA-N 1 2 335.407 3.635 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031706 1025437168 /nfs/dbraw/zinc/43/71/68/1025437168.db2.gz FFWNQMTWLBTOAQ-SUMWQHHRSA-N 1 2 345.443 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031706 1025437174 /nfs/dbraw/zinc/43/71/74/1025437174.db2.gz FFWNQMTWLBTOAQ-SUMWQHHRSA-N 1 2 345.443 3.685 20 0 EHADLO CC(C)c1ccc(OC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC000522799970 1025467740 /nfs/dbraw/zinc/46/77/40/1025467740.db2.gz BYRCGAFXIQMPAJ-UHFFFAOYSA-N 1 2 333.472 3.995 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC000521582950 1025497241 /nfs/dbraw/zinc/49/72/41/1025497241.db2.gz UZFJEXCEZBIHNF-SFHVURJKSA-N 1 2 343.471 3.761 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000521602688 1025504612 /nfs/dbraw/zinc/50/46/12/1025504612.db2.gz CERHESJVADICES-PKOBYXMFSA-N 1 2 341.430 3.973 20 0 EHADLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000303658147 1025580153 /nfs/dbraw/zinc/58/01/53/1025580153.db2.gz GUWIGXXFVYWWLN-UHFFFAOYSA-N 1 2 333.435 3.871 20 0 EHADLO Cn1nc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1C(F)(F)F ZINC000898021601 1033293170 /nfs/dbraw/zinc/29/31/70/1033293170.db2.gz MXTXXOBMFFQXBW-UHFFFAOYSA-N 1 2 344.406 3.843 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)ccc2[nH+]1 ZINC000436332463 1025599265 /nfs/dbraw/zinc/59/92/65/1025599265.db2.gz IGPAJBXPTSQYQP-JKSUJKDBSA-N 1 2 340.814 3.974 20 0 EHADLO CCC(CC)[C@H](C(=O)Nc1ccc2ccoc2c1)[NH+]1CCOCC1 ZINC000442945626 1025615279 /nfs/dbraw/zinc/61/52/79/1025615279.db2.gz QJTCZBBWUHHBOZ-GOSISDBHSA-N 1 2 330.428 3.508 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(Br)s2)[nH]1 ZINC000277520117 1025631370 /nfs/dbraw/zinc/63/13/70/1025631370.db2.gz XKFVCVDJQLKYOA-IUCAKERBSA-N 1 2 343.294 3.993 20 0 EHADLO O=C(NCc1cc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000515823690 1025637489 /nfs/dbraw/zinc/63/74/89/1025637489.db2.gz NGCDMSDMVZRTCS-UHFFFAOYSA-N 1 2 337.448 3.743 20 0 EHADLO O=C(/C=C\c1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000209294599 1025638723 /nfs/dbraw/zinc/63/87/23/1025638723.db2.gz JVRFJDGUPDKDNV-KHPPLWFESA-N 1 2 333.391 3.614 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)cc1C ZINC000530318291 1025648682 /nfs/dbraw/zinc/64/86/82/1025648682.db2.gz JOPFSJARFSOGQG-CQSZACIVSA-N 1 2 341.455 3.902 20 0 EHADLO COc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)cc1C ZINC000530318291 1025648699 /nfs/dbraw/zinc/64/86/99/1025648699.db2.gz JOPFSJARFSOGQG-CQSZACIVSA-N 1 2 341.455 3.902 20 0 EHADLO Cc1nc2cc(NC(=O)NCCCCNc3cccc[nH+]3)ccc2o1 ZINC000158221789 1025660377 /nfs/dbraw/zinc/66/03/77/1025660377.db2.gz LMILEHYPCPPDEZ-UHFFFAOYSA-N 1 2 339.399 3.545 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC000451194586 1025665347 /nfs/dbraw/zinc/66/53/47/1025665347.db2.gz ZHXFZQQXMIIBDE-ZDUSSCGKSA-N 1 2 333.398 3.663 20 0 EHADLO CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](CC)c1ccccc1 ZINC000370883477 1025670806 /nfs/dbraw/zinc/67/08/06/1025670806.db2.gz KXWYOBNPAWLPJN-MSOLQXFVSA-N 1 2 325.456 3.835 20 0 EHADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000277534101 1025742609 /nfs/dbraw/zinc/74/26/09/1025742609.db2.gz YPPLSHRDPWLFFZ-KGLIPLIRSA-N 1 2 346.475 3.965 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nc1 ZINC000342475933 1025762648 /nfs/dbraw/zinc/76/26/48/1025762648.db2.gz CSYSQHGEJJTWJF-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nc1 ZINC000342475933 1025762663 /nfs/dbraw/zinc/76/26/63/1025762663.db2.gz CSYSQHGEJJTWJF-UZLBHIALSA-N 1 2 326.440 3.669 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)s1 ZINC000347267034 1025769683 /nfs/dbraw/zinc/76/96/83/1025769683.db2.gz OQXPCGWULRALNV-CYBMUJFWSA-N 1 2 335.904 3.984 20 0 EHADLO Cc1cnccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425570776 1025778849 /nfs/dbraw/zinc/77/88/49/1025778849.db2.gz MIFPETNZWIQYRD-UHFFFAOYSA-N 1 2 332.407 3.842 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1C[C@@H]1C(F)F ZINC000425568276 1025793319 /nfs/dbraw/zinc/79/33/19/1025793319.db2.gz JMFHKBRLZVDGQT-KBPBESRZSA-N 1 2 331.366 3.726 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1cnc3cc(Cl)c(Cl)cc3n1)C2 ZINC000896659473 1025797370 /nfs/dbraw/zinc/79/73/70/1025797370.db2.gz FJKRPMZODSVJAO-UHFFFAOYSA-N 1 2 348.237 3.716 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc3cc(Cl)cc(Cl)c3o1)C2 ZINC000896660224 1025798246 /nfs/dbraw/zinc/79/82/46/1025798246.db2.gz LJQPDWYPGHXCDF-UHFFFAOYSA-N 1 2 337.210 3.914 20 0 EHADLO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320875 1025802923 /nfs/dbraw/zinc/80/29/23/1025802923.db2.gz MQTSWFGEPSYJHO-OLZOCXBDSA-N 1 2 326.893 3.721 20 0 EHADLO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000451320875 1025802936 /nfs/dbraw/zinc/80/29/36/1025802936.db2.gz MQTSWFGEPSYJHO-OLZOCXBDSA-N 1 2 326.893 3.721 20 0 EHADLO O=C(CC1CCOCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277541375 1025810596 /nfs/dbraw/zinc/81/05/96/1025810596.db2.gz ILOHOCRKDIEQMV-UHFFFAOYSA-N 1 2 339.439 3.642 20 0 EHADLO CCc1ccc([C@@H](COC)NC(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000436500390 1025813732 /nfs/dbraw/zinc/81/37/32/1025813732.db2.gz ZWLDIPXGQSYTKS-OAHLLOKOSA-N 1 2 331.416 3.671 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(Cl)ccc2F)c1C ZINC000051585764 1025833458 /nfs/dbraw/zinc/83/34/58/1025833458.db2.gz MIIAEQNXMKYHMS-UHFFFAOYSA-N 1 2 337.782 3.821 20 0 EHADLO C[N@H+](Cc1nc2cccnc2s1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451337013 1025843175 /nfs/dbraw/zinc/84/31/75/1025843175.db2.gz WSYJKOGRMVRNGV-AWEZNQCLSA-N 1 2 333.844 3.510 20 0 EHADLO C[N@@H+](Cc1nc2cccnc2s1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451337013 1025843186 /nfs/dbraw/zinc/84/31/86/1025843186.db2.gz WSYJKOGRMVRNGV-AWEZNQCLSA-N 1 2 333.844 3.510 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474923371 1025893138 /nfs/dbraw/zinc/89/31/38/1025893138.db2.gz DTTXICIXVAMHKV-HZPDHXFCSA-N 1 2 328.460 3.688 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407541 1025910752 /nfs/dbraw/zinc/91/07/52/1025910752.db2.gz LTUNNHJNJQOPAK-UWVGGRQHSA-N 1 2 329.288 3.608 20 0 EHADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000451407541 1025910760 /nfs/dbraw/zinc/91/07/60/1025910760.db2.gz LTUNNHJNJQOPAK-UWVGGRQHSA-N 1 2 329.288 3.608 20 0 EHADLO CCCOc1cccc2c(NCc3noc4c3COCC4)cc[nH+]c12 ZINC000896710776 1025913862 /nfs/dbraw/zinc/91/38/62/1025913862.db2.gz YCLSFPZDCGCKGN-UHFFFAOYSA-N 1 2 339.395 3.696 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc2ccoc2c1 ZINC000443373897 1025965837 /nfs/dbraw/zinc/96/58/37/1025965837.db2.gz FBVGJBFIYUOMSS-UHFFFAOYSA-N 1 2 332.363 3.940 20 0 EHADLO CCCc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000516071186 1025974481 /nfs/dbraw/zinc/97/44/81/1025974481.db2.gz FVAQKAFYKGQOAN-OAHLLOKOSA-N 1 2 337.427 3.611 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000444257505 1025979389 /nfs/dbraw/zinc/97/93/89/1025979389.db2.gz DTWZBAOJFDJCJJ-JSGCOSHPSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000444257505 1025979394 /nfs/dbraw/zinc/97/93/94/1025979394.db2.gz DTWZBAOJFDJCJJ-JSGCOSHPSA-N 1 2 349.525 3.559 20 0 EHADLO O=C(/C=C\SCc1ccco1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255500141 1025980190 /nfs/dbraw/zinc/98/01/90/1025980190.db2.gz WUKMPCNBDNQLQD-XFFZJAGNSA-N 1 2 339.420 3.529 20 0 EHADLO COCC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccs1 ZINC000444263016 1025982234 /nfs/dbraw/zinc/98/22/34/1025982234.db2.gz DHQQIECYBCVDHE-UHFFFAOYSA-N 1 2 346.496 3.833 20 0 EHADLO COCC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccs1 ZINC000444263016 1025982238 /nfs/dbraw/zinc/98/22/38/1025982238.db2.gz DHQQIECYBCVDHE-UHFFFAOYSA-N 1 2 346.496 3.833 20 0 EHADLO Fc1c(C[NH2+]Cc2ccn(C3CCCC3)n2)cccc1OC1CC1 ZINC000657403173 1025987215 /nfs/dbraw/zinc/98/72/15/1025987215.db2.gz SNHRWOWEPGZUIQ-UHFFFAOYSA-N 1 2 329.419 3.968 20 0 EHADLO O=C(CSCc1c[nH+]cn1Cc1ccccc1)Nc1ccccc1 ZINC000443418768 1026011333 /nfs/dbraw/zinc/01/13/33/1026011333.db2.gz ZPFSOBMMONTWLC-UHFFFAOYSA-N 1 2 337.448 3.803 20 0 EHADLO CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451468104 1026014338 /nfs/dbraw/zinc/01/43/38/1026014338.db2.gz JWILIZZZZKLYPC-CYBMUJFWSA-N 1 2 339.430 3.607 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC000028695815 1026016192 /nfs/dbraw/zinc/01/61/92/1026016192.db2.gz HJXMKJIPPUAMKO-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ccccc2Br)c(F)cn1 ZINC000287302168 1026030411 /nfs/dbraw/zinc/03/04/11/1026030411.db2.gz CLTKRPHBYUJCRM-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO Fc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(F)c1F ZINC000657406457 1026035391 /nfs/dbraw/zinc/03/53/91/1026035391.db2.gz FARZNACYMUXZEC-UHFFFAOYSA-N 1 2 336.357 3.548 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[nH+]c1C ZINC000896920878 1026036056 /nfs/dbraw/zinc/03/60/56/1026036056.db2.gz VVBOTBJGMYYOTA-CHWSQXEVSA-N 1 2 338.238 3.753 20 0 EHADLO Cc1[nH]c(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000896922715 1026043746 /nfs/dbraw/zinc/04/37/46/1026043746.db2.gz BKROVCAEBJYACY-SNVBAGLBSA-N 1 2 339.361 3.855 20 0 EHADLO CC[C@H](CC(F)F)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896821233 1026084048 /nfs/dbraw/zinc/08/40/48/1026084048.db2.gz PYBFOGKOIVYBMX-CYBMUJFWSA-N 1 2 332.354 3.995 20 0 EHADLO CCO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000451549078 1026099972 /nfs/dbraw/zinc/09/99/72/1026099972.db2.gz VWJNQEBZQXCMJH-ABAIWWIYSA-N 1 2 342.270 3.888 20 0 EHADLO CCO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000451549078 1026099988 /nfs/dbraw/zinc/09/99/88/1026099988.db2.gz VWJNQEBZQXCMJH-ABAIWWIYSA-N 1 2 342.270 3.888 20 0 EHADLO CCC(CC)([NH2+]Cc1nc(CCOC)no1)c1ccc(Cl)cc1 ZINC000103480367 1026103047 /nfs/dbraw/zinc/10/30/47/1026103047.db2.gz WHQIOCVMFWIFDX-UHFFFAOYSA-N 1 2 337.851 3.717 20 0 EHADLO Fc1cc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c(F)cn1 ZINC000896945668 1026141526 /nfs/dbraw/zinc/14/15/26/1026141526.db2.gz GASSFDXZDHWVQW-UHFFFAOYSA-N 1 2 335.423 3.685 20 0 EHADLO CCC[C@H]([NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000475088786 1026151085 /nfs/dbraw/zinc/15/10/85/1026151085.db2.gz AIKDFJJAOXEYAR-ZALBZXLWSA-N 1 2 329.362 3.883 20 0 EHADLO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212070 1026155255 /nfs/dbraw/zinc/15/52/55/1026155255.db2.gz VBEMRXZOYZWFIU-QINSGFPZSA-N 1 2 335.382 3.731 20 0 EHADLO C[C@H]1CCN(C(=O)c2cscc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000896980982 1026179228 /nfs/dbraw/zinc/17/92/28/1026179228.db2.gz QJSGNGSRWAAQMP-GWCFXTLKSA-N 1 2 325.384 3.606 20 0 EHADLO CCC(CC)N(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000530683583 1026197675 /nfs/dbraw/zinc/19/76/75/1026197675.db2.gz UZCCXMXNECBXNO-UHFFFAOYSA-N 1 2 340.471 3.794 20 0 EHADLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000530687352 1026201927 /nfs/dbraw/zinc/20/19/27/1026201927.db2.gz QYCYZDUGQMDVHG-LBPRGKRZSA-N 1 2 342.842 3.696 20 0 EHADLO CC(C)(CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000896984242 1026206329 /nfs/dbraw/zinc/20/63/29/1026206329.db2.gz ILWDHTRNGNTNLJ-UHFFFAOYSA-N 1 2 344.503 3.545 20 0 EHADLO CC[C@@H](CC(F)(F)F)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000451688030 1026228983 /nfs/dbraw/zinc/22/89/83/1026228983.db2.gz JDKZFWRJEUTTOC-SMDDNHRTSA-N 1 2 348.796 3.792 20 0 EHADLO Cc1csc(C2(NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CCC2)n1 ZINC000530722786 1026251175 /nfs/dbraw/zinc/25/11/75/1026251175.db2.gz IQJPKOYSSWJJCW-UHFFFAOYSA-N 1 2 341.440 3.609 20 0 EHADLO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000475205003 1026370796 /nfs/dbraw/zinc/37/07/96/1026370796.db2.gz IPBFZKXBHZMSIY-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000475205003 1026370809 /nfs/dbraw/zinc/37/08/09/1026370809.db2.gz IPBFZKXBHZMSIY-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451963249 1026398572 /nfs/dbraw/zinc/39/85/72/1026398572.db2.gz HGUOAXTZNVXDQE-SWLSCSKDSA-N 1 2 327.519 3.603 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451963249 1026398589 /nfs/dbraw/zinc/39/85/89/1026398589.db2.gz HGUOAXTZNVXDQE-SWLSCSKDSA-N 1 2 327.519 3.603 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)c1C ZINC000451962437 1026398630 /nfs/dbraw/zinc/39/86/30/1026398630.db2.gz FUTBDGZPBQWYQR-KUHUBIRLSA-N 1 2 348.512 3.624 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)c1C ZINC000451962437 1026398635 /nfs/dbraw/zinc/39/86/35/1026398635.db2.gz FUTBDGZPBQWYQR-KUHUBIRLSA-N 1 2 348.512 3.624 20 0 EHADLO CC(C)OC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000530926350 1026426337 /nfs/dbraw/zinc/42/63/37/1026426337.db2.gz VLOWUFMSNGHZGY-UHFFFAOYSA-N 1 2 330.241 3.978 20 0 EHADLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cnccc1OC ZINC000451975679 1026431868 /nfs/dbraw/zinc/43/18/68/1026431868.db2.gz LLELRANBHDERCJ-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cnccc1OC ZINC000451975679 1026431875 /nfs/dbraw/zinc/43/18/75/1026431875.db2.gz LLELRANBHDERCJ-UHFFFAOYSA-N 1 2 338.810 3.531 20 0 EHADLO C[C@H]1CC[C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000475293704 1026436470 /nfs/dbraw/zinc/43/64/70/1026436470.db2.gz AYSSKTGENLMPSA-FUHWJXTLSA-N 1 2 332.492 3.521 20 0 EHADLO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3nnc(C4CC4)s3)C2)c1 ZINC000452019662 1026437603 /nfs/dbraw/zinc/43/76/03/1026437603.db2.gz QIXZNGFILBVZEN-SHTZXODSSA-N 1 2 329.469 3.802 20 0 EHADLO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3nnc(C4CC4)s3)C2)c1 ZINC000452019662 1026437614 /nfs/dbraw/zinc/43/76/14/1026437614.db2.gz QIXZNGFILBVZEN-SHTZXODSSA-N 1 2 329.469 3.802 20 0 EHADLO C[C@@H]([C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000475286697 1026443033 /nfs/dbraw/zinc/44/30/33/1026443033.db2.gz KWHHYJXCHILVCF-GJZGRUSLSA-N 1 2 328.460 3.738 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159156532 1026503613 /nfs/dbraw/zinc/50/36/13/1026503613.db2.gz BCYWRYUOVBYJCN-CVEARBPZSA-N 1 2 342.443 3.662 20 0 EHADLO C[N@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342628091 1026516207 /nfs/dbraw/zinc/51/62/07/1026516207.db2.gz CGOXKWWUFLBFID-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000342628091 1026516212 /nfs/dbraw/zinc/51/62/12/1026516212.db2.gz CGOXKWWUFLBFID-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO COCc1cnc(C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)s1 ZINC000342640414 1026548533 /nfs/dbraw/zinc/54/85/33/1026548533.db2.gz VLNPBPAQMJDYRN-UHFFFAOYSA-N 1 2 346.496 3.950 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000531101508 1026570402 /nfs/dbraw/zinc/57/04/02/1026570402.db2.gz JGEIIEWPWAESSW-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000531101508 1026570410 /nfs/dbraw/zinc/57/04/10/1026570410.db2.gz JGEIIEWPWAESSW-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC12CCCC2 ZINC000452206834 1026574417 /nfs/dbraw/zinc/57/44/17/1026574417.db2.gz MDICNSFAYDNHDI-AWEZNQCLSA-N 1 2 329.831 3.722 20 0 EHADLO Cc1ccc2cc(C[NH2+][C@@H](C)c3ncc(Br)cn3)[nH]c2c1 ZINC000657472949 1026629371 /nfs/dbraw/zinc/62/93/71/1026629371.db2.gz CRKHCGNEMIVJTD-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO COCc1cnc(C[N@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000342681968 1026704904 /nfs/dbraw/zinc/70/49/04/1026704904.db2.gz MRLYRBWXLHKLDF-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO COCc1cnc(C[N@@H+](C)CCCOc2cccc(Cl)c2)s1 ZINC000342681968 1026704915 /nfs/dbraw/zinc/70/49/15/1026704915.db2.gz MRLYRBWXLHKLDF-UHFFFAOYSA-N 1 2 340.876 3.844 20 0 EHADLO CCCCn1c(SCC[C@H]2CCCO2)nnc1[C@@H](CC)[NH+](C)C ZINC000188705214 1026716391 /nfs/dbraw/zinc/71/63/91/1026716391.db2.gz ZPFWPTAVWYSKQL-HUUCEWRRSA-N 1 2 340.537 3.752 20 0 EHADLO COC[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301231819 1026731276 /nfs/dbraw/zinc/73/12/76/1026731276.db2.gz BBEFMVJRVQSDLR-LBPRGKRZSA-N 1 2 335.245 3.860 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)cs1 ZINC000934557590 1026786894 /nfs/dbraw/zinc/78/68/94/1026786894.db2.gz SGEYZWDDSOFYQK-QWHCGFSZSA-N 1 2 334.489 3.698 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c(C)c[nH+]1 ZINC000548746318 1026818978 /nfs/dbraw/zinc/81/89/78/1026818978.db2.gz AAQZQBZFNHGNDO-RDJZCZTQSA-N 1 2 327.403 3.717 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1cccc(OCC(=O)N(C)C)c1 ZINC000301554154 1026850994 /nfs/dbraw/zinc/85/09/94/1026850994.db2.gz HYYONPMLNWNSEG-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO Cc1nc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000301648424 1026887475 /nfs/dbraw/zinc/88/74/75/1026887475.db2.gz FHZYZYRNQQXLTD-HOCLYGCPSA-N 1 2 348.491 3.531 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCOC2(CCCC2)C1 ZINC000301722941 1026914869 /nfs/dbraw/zinc/91/48/69/1026914869.db2.gz RVXIACUBNMVQIZ-UHFFFAOYSA-N 1 2 340.423 3.561 20 0 EHADLO Nc1nc(NCc2cccnc2OC2CCCC2)[nH+]c2ccccc12 ZINC000301767767 1026931417 /nfs/dbraw/zinc/93/14/17/1026931417.db2.gz HYHDZMXMEVGSCW-UHFFFAOYSA-N 1 2 335.411 3.541 20 0 EHADLO FC(F)(F)c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301771713 1026932955 /nfs/dbraw/zinc/93/29/55/1026932955.db2.gz LKPKQYQRJYAWST-NSHDSACASA-N 1 2 342.752 3.840 20 0 EHADLO CC1(C)CCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000123052435 1026943315 /nfs/dbraw/zinc/94/33/15/1026943315.db2.gz WQKAYXBROOMGKS-GOSISDBHSA-N 1 2 340.471 3.699 20 0 EHADLO CC(C)(C)c1nc(CCNc2nc(N)c3ccccc3[nH+]2)cs1 ZINC000301851387 1026963175 /nfs/dbraw/zinc/96/31/75/1026963175.db2.gz ANJTULWUWJXEAB-UHFFFAOYSA-N 1 2 327.457 3.621 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@H](CCCO)c3ccccc3)n2)c1 ZINC000305761024 1026963491 /nfs/dbraw/zinc/96/34/91/1026963491.db2.gz DTFJGUHEYPNFKI-GOSISDBHSA-N 1 2 337.423 3.648 20 0 EHADLO COc1ccc(CNc2nc(N)c3ccccc3[nH+]2)c(C(F)(F)F)c1 ZINC000301852193 1026966250 /nfs/dbraw/zinc/96/62/50/1026966250.db2.gz BNXFBJQULUGIPB-UHFFFAOYSA-N 1 2 348.328 3.852 20 0 EHADLO Nc1nc(N2CC[C@H](CSc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301863273 1026968560 /nfs/dbraw/zinc/96/85/60/1026968560.db2.gz CTGCBQOABDDJFS-AWEZNQCLSA-N 1 2 336.464 3.831 20 0 EHADLO Cc1ccc(C)c(OC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000301867380 1026970948 /nfs/dbraw/zinc/97/09/48/1026970948.db2.gz HQFLFNHCSOLDQU-UHFFFAOYSA-N 1 2 348.450 3.877 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(OC2CCCC2)CC1 ZINC000301888373 1026979677 /nfs/dbraw/zinc/97/96/77/1026979677.db2.gz NBGGJKGDJFMJKG-UHFFFAOYSA-N 1 2 343.475 3.509 20 0 EHADLO OCC[C@H]([NH2+]Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000305787865 1026983502 /nfs/dbraw/zinc/98/35/02/1026983502.db2.gz YXWATVGTNFHOAD-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO Nc1nc(N2CCC(OC3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000301898391 1026985169 /nfs/dbraw/zinc/98/51/69/1026985169.db2.gz WWHLHJAUKYIVOS-UHFFFAOYSA-N 1 2 326.444 3.530 20 0 EHADLO CCOc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301898428 1026985284 /nfs/dbraw/zinc/98/52/84/1026985284.db2.gz SBQSMMBXDVBSSQ-UHFFFAOYSA-N 1 2 325.416 3.592 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCOC1CCCCCC1 ZINC000301903420 1026987630 /nfs/dbraw/zinc/98/76/30/1026987630.db2.gz XGNCIGFMZPDTMX-UHFFFAOYSA-N 1 2 331.464 3.733 20 0 EHADLO C[C@@H](C[C@H](O)c1cccs1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301926118 1026996449 /nfs/dbraw/zinc/99/64/49/1026996449.db2.gz MRQGTWKAIISOGP-AAEUAGOBSA-N 1 2 345.472 3.567 20 0 EHADLO C[C@H](C[C@@H](O)c1cccs1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301926119 1026996601 /nfs/dbraw/zinc/99/66/01/1026996601.db2.gz MRQGTWKAIISOGP-DGCLKSJQSA-N 1 2 345.472 3.567 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000301926236 1026997129 /nfs/dbraw/zinc/99/71/29/1026997129.db2.gz MVMCIOQSNCXUTF-HYVNUMGLSA-N 1 2 333.439 3.722 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123147709 1027002839 /nfs/dbraw/zinc/00/28/39/1027002839.db2.gz ZBZMEEKIOVGPNJ-KSSFIOAISA-N 1 2 347.409 3.594 20 0 EHADLO Cc1c[nH+]c(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)n1C ZINC000342777413 1027015207 /nfs/dbraw/zinc/01/52/07/1027015207.db2.gz HJINPJRXPKELGJ-INIZCTEOSA-N 1 2 333.863 3.734 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000302024785 1027026589 /nfs/dbraw/zinc/02/65/89/1027026589.db2.gz HEZBSGXJDAWRGN-INIZCTEOSA-N 1 2 342.418 3.932 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302024785 1027026594 /nfs/dbraw/zinc/02/65/94/1027026594.db2.gz HEZBSGXJDAWRGN-INIZCTEOSA-N 1 2 342.418 3.932 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(NCC2CC2)[nH+]cn1 ZINC000302058561 1027038594 /nfs/dbraw/zinc/03/85/94/1027038594.db2.gz RFCWTBPWEWPAAB-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(NCC2CC2)nc[nH+]1 ZINC000302058561 1027038600 /nfs/dbraw/zinc/03/86/00/1027038600.db2.gz RFCWTBPWEWPAAB-OAHLLOKOSA-N 1 2 328.391 3.763 20 0 EHADLO Cc1nc(N2CCC[C@H]2CC(=O)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302113875 1027058673 /nfs/dbraw/zinc/05/86/73/1027058673.db2.gz VJILPJZYNAWBMW-KRWDZBQOSA-N 1 2 335.451 3.906 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125595709 1027094366 /nfs/dbraw/zinc/09/43/66/1027094366.db2.gz MSWUYUIVHNHNOC-PILAGYSTSA-N 1 2 343.858 3.750 20 0 EHADLO C[C@@H](c1cccc(NC(=O)CC2CCSCC2)c1)[NH+]1CCOCC1 ZINC000531628762 1027109295 /nfs/dbraw/zinc/10/92/95/1027109295.db2.gz ZWDRJMPBSAORCM-HNNXBMFYSA-N 1 2 348.512 3.552 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000153155394 1027128391 /nfs/dbraw/zinc/12/83/91/1027128391.db2.gz ZNNGCBRYZYUBTP-KGLIPLIRSA-N 1 2 346.500 3.553 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000125855907 1027133045 /nfs/dbraw/zinc/13/30/45/1027133045.db2.gz VALHNJDEBRXNJK-ZFWWWQNUSA-N 1 2 325.437 3.821 20 0 EHADLO CCCNC(=O)c1cccc(CNc2cc[nH+]c3c(OC)cccc23)c1 ZINC000302384329 1027134652 /nfs/dbraw/zinc/13/46/52/1027134652.db2.gz AKWLZLBJZRDYLE-UHFFFAOYSA-N 1 2 349.434 3.995 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075534338 1027146200 /nfs/dbraw/zinc/14/62/00/1027146200.db2.gz PUIKVZJUODVYDI-DOTOQJQBSA-N 1 2 341.455 3.707 20 0 EHADLO Cc1ccc(C)c(SCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075555780 1027170974 /nfs/dbraw/zinc/17/09/74/1027170974.db2.gz PTWMROVQRLBQNS-OAHLLOKOSA-N 1 2 329.469 3.525 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000272924734 1027180472 /nfs/dbraw/zinc/18/04/72/1027180472.db2.gz JHDVTOAFPZICDC-UHFFFAOYSA-N 1 2 329.469 3.767 20 0 EHADLO CCC1(O)CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000075858967 1027197596 /nfs/dbraw/zinc/19/75/96/1027197596.db2.gz XTVSTPCFOOJCEP-UHFFFAOYSA-N 1 2 332.669 3.839 20 0 EHADLO CO[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[C@H]1C ZINC000302567814 1027200403 /nfs/dbraw/zinc/20/04/03/1027200403.db2.gz PHDSBXVFZPOCSZ-IAQYHMDHSA-N 1 2 335.245 3.859 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)c1ccc(C(F)(F)F)cc1 ZINC000302615777 1027213661 /nfs/dbraw/zinc/21/36/61/1027213661.db2.gz CMZHMJKGSPZVBL-JTQLQIEISA-N 1 2 335.333 3.598 20 0 EHADLO Nc1ccc(CNc2ncnc3sc(-c4ccccc4)cc32)c[nH+]1 ZINC000302658430 1027227698 /nfs/dbraw/zinc/22/76/98/1027227698.db2.gz AONFIANZRITRGO-UHFFFAOYSA-N 1 2 333.420 3.948 20 0 EHADLO Clc1cc(Br)cnc1NCCCNc1cccc[nH+]1 ZINC000302728234 1027258725 /nfs/dbraw/zinc/25/87/25/1027258725.db2.gz KRKIDLHNPBSSID-UHFFFAOYSA-N 1 2 341.640 3.807 20 0 EHADLO Cc1ccc2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2n1 ZINC000126984605 1027258984 /nfs/dbraw/zinc/25/89/84/1027258984.db2.gz CSUROQFSJIHIQY-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501410897 1027266917 /nfs/dbraw/zinc/26/69/17/1027266917.db2.gz NXSJGSPWZSMDPS-BXTJHSDWSA-N 1 2 328.431 3.839 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000501410897 1027266927 /nfs/dbraw/zinc/26/69/27/1027266927.db2.gz NXSJGSPWZSMDPS-BXTJHSDWSA-N 1 2 328.431 3.839 20 0 EHADLO CCCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000127363235 1027302030 /nfs/dbraw/zinc/30/20/30/1027302030.db2.gz YOCYUMXYZOVMQT-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO CCCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000127363235 1027302038 /nfs/dbraw/zinc/30/20/38/1027302038.db2.gz YOCYUMXYZOVMQT-UHFFFAOYSA-N 1 2 342.439 3.555 20 0 EHADLO c1cc2c(s1)CCC[C@@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302821472 1027309624 /nfs/dbraw/zinc/30/96/24/1027309624.db2.gz DLKOCBBAVCPBMS-ZDUSSCGKSA-N 1 2 332.498 3.581 20 0 EHADLO c1cc2c(s1)CCC[C@@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302821472 1027309641 /nfs/dbraw/zinc/30/96/41/1027309641.db2.gz DLKOCBBAVCPBMS-ZDUSSCGKSA-N 1 2 332.498 3.581 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000127419660 1027309947 /nfs/dbraw/zinc/30/99/47/1027309947.db2.gz JQSGAKIKNMENPR-GOSISDBHSA-N 1 2 333.428 3.697 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000127419660 1027309964 /nfs/dbraw/zinc/30/99/64/1027309964.db2.gz JQSGAKIKNMENPR-GOSISDBHSA-N 1 2 333.428 3.697 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302820364 1027310667 /nfs/dbraw/zinc/31/06/67/1027310667.db2.gz CXYOWRRNUPKFML-QAPCUYQASA-N 1 2 344.846 3.672 20 0 EHADLO Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302820364 1027310686 /nfs/dbraw/zinc/31/06/86/1027310686.db2.gz CXYOWRRNUPKFML-QAPCUYQASA-N 1 2 344.846 3.672 20 0 EHADLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccncc1 ZINC000453063375 1027313081 /nfs/dbraw/zinc/31/30/81/1027313081.db2.gz FOBHCGNOMRXRFE-RBUKOAKNSA-N 1 2 336.439 3.654 20 0 EHADLO Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605995 1027328256 /nfs/dbraw/zinc/32/82/56/1027328256.db2.gz VRIDWOGYPBNLGG-KRWDZBQOSA-N 1 2 348.450 3.800 20 0 EHADLO CCC(C)(C)c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302867214 1027333976 /nfs/dbraw/zinc/33/39/76/1027333976.db2.gz ZGYLEFREODDTCT-UHFFFAOYSA-N 1 2 340.471 3.613 20 0 EHADLO CCC(C)(C)c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302867214 1027333988 /nfs/dbraw/zinc/33/39/88/1027333988.db2.gz ZGYLEFREODDTCT-UHFFFAOYSA-N 1 2 340.471 3.613 20 0 EHADLO C[C@H]1CC[C@@](C)(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1(C)C ZINC000666008232 1027339767 /nfs/dbraw/zinc/33/97/67/1027339767.db2.gz ZXTCCYUZYMYZHF-KXBFYZLASA-N 1 2 332.492 3.692 20 0 EHADLO CC(C)(C)c1noc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000531782133 1027369051 /nfs/dbraw/zinc/36/90/51/1027369051.db2.gz MZALUSHSGQUHLD-UHFFFAOYSA-N 1 2 331.435 3.961 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000076989839 1027373887 /nfs/dbraw/zinc/37/38/87/1027373887.db2.gz NPTVSIROKPWICG-AWEZNQCLSA-N 1 2 348.434 3.932 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000076989839 1027373893 /nfs/dbraw/zinc/37/38/93/1027373893.db2.gz NPTVSIROKPWICG-AWEZNQCLSA-N 1 2 348.434 3.932 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000054277834 1027405166 /nfs/dbraw/zinc/40/51/66/1027405166.db2.gz OSXRZWMDESVCKO-GFCCVEGCSA-N 1 2 335.498 3.618 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000054277834 1027405174 /nfs/dbraw/zinc/40/51/74/1027405174.db2.gz OSXRZWMDESVCKO-GFCCVEGCSA-N 1 2 335.498 3.618 20 0 EHADLO CCCCC1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000103310653 1027424910 /nfs/dbraw/zinc/42/49/10/1027424910.db2.gz AFJJHYVRWJYYQI-UHFFFAOYSA-N 1 2 332.492 3.979 20 0 EHADLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)c1 ZINC000128714068 1027473741 /nfs/dbraw/zinc/47/37/41/1027473741.db2.gz SFUWIZXIQBPCKG-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000657586018 1027479258 /nfs/dbraw/zinc/47/92/58/1027479258.db2.gz PREJMDYOHDJDIM-UHFFFAOYSA-N 1 2 345.439 3.789 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975128 1027505863 /nfs/dbraw/zinc/50/58/63/1027505863.db2.gz XMARNRSYDFFHLN-MRXNPFEDSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975128 1027505874 /nfs/dbraw/zinc/50/58/74/1027505874.db2.gz XMARNRSYDFFHLN-MRXNPFEDSA-N 1 2 349.356 3.704 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)s1 ZINC000273675763 1027554137 /nfs/dbraw/zinc/55/41/37/1027554137.db2.gz JIASIPAJWMUHIN-NEPJUHHUSA-N 1 2 332.473 3.648 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(C(=O)NC3CCCCC3)cc2C)n1C ZINC000414457074 1027564092 /nfs/dbraw/zinc/56/40/92/1027564092.db2.gz FLTQOLIZQRXOJN-UHFFFAOYSA-N 1 2 340.471 3.712 20 0 EHADLO CN1CC[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1Cc1ccccc1 ZINC000342840510 1027581062 /nfs/dbraw/zinc/58/10/62/1027581062.db2.gz NBMJNDJRMMAMLZ-GOSISDBHSA-N 1 2 341.524 3.769 20 0 EHADLO CN1CC[N@@H+](Cc2cnc(C3CCC3)s2)C[C@H]1Cc1ccccc1 ZINC000342840510 1027581070 /nfs/dbraw/zinc/58/10/70/1027581070.db2.gz NBMJNDJRMMAMLZ-GOSISDBHSA-N 1 2 341.524 3.769 20 0 EHADLO CCOc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1O ZINC000459322581 1027596936 /nfs/dbraw/zinc/59/69/36/1027596936.db2.gz HNUVGOKPMFIBDY-UHFFFAOYSA-N 1 2 349.434 3.535 20 0 EHADLO CCOc1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1O ZINC000459322581 1027596945 /nfs/dbraw/zinc/59/69/45/1027596945.db2.gz HNUVGOKPMFIBDY-UHFFFAOYSA-N 1 2 349.434 3.535 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@]3(CO)CCc4ccccc43)co2)cc1 ZINC000305203802 1027599887 /nfs/dbraw/zinc/59/98/87/1027599887.db2.gz YCEMGNCRNMIHEX-NRFANRHFSA-N 1 2 334.419 3.574 20 0 EHADLO CC[C@@H](C)N(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252376 1027610503 /nfs/dbraw/zinc/61/05/03/1027610503.db2.gz NFICBFYRLPHSEN-WBVHZDCISA-N 1 2 328.460 3.534 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cn1 ZINC000277887967 1027624173 /nfs/dbraw/zinc/62/41/73/1027624173.db2.gz ZRCHGUSUPUUVRQ-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cn1 ZINC000277887967 1027624182 /nfs/dbraw/zinc/62/41/82/1027624182.db2.gz ZRCHGUSUPUUVRQ-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO Cc1cc(CNC(=O)NC2(c3ccc(F)cc3F)CCC2)cc(C)[nH+]1 ZINC000422205311 1027636248 /nfs/dbraw/zinc/63/62/48/1027636248.db2.gz JZXRQICHBWLELJ-UHFFFAOYSA-N 1 2 345.393 3.855 20 0 EHADLO CC[C@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000422233940 1027648977 /nfs/dbraw/zinc/64/89/77/1027648977.db2.gz WCBVZQWVMHHYKB-HNNXBMFYSA-N 1 2 348.878 3.794 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc(C)[nH+]1 ZINC000422217546 1027653227 /nfs/dbraw/zinc/65/32/27/1027653227.db2.gz WMIHXDAVHPAKSC-ZDUSSCGKSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1c[nH+]c(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n1C ZINC000342853523 1027656849 /nfs/dbraw/zinc/65/68/49/1027656849.db2.gz FSOCQJWWTAZXOW-MRXNPFEDSA-N 1 2 341.352 3.818 20 0 EHADLO FC1(F)C[C@@H]1OCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000664306360 1027670101 /nfs/dbraw/zinc/67/01/01/1027670101.db2.gz ARDORHSYDIUTBF-LBPRGKRZSA-N 1 2 343.171 3.833 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccc(F)cc2)on1 ZINC000130988092 1027722629 /nfs/dbraw/zinc/72/26/29/1027722629.db2.gz WPQCGZVNCIFJLR-UHFFFAOYSA-N 1 2 348.337 3.919 20 0 EHADLO CCc1c(Cl)nc(-c2ccccc2)nc1NCc1cc[nH+]c(N)c1 ZINC001167617468 1027732307 /nfs/dbraw/zinc/73/23/07/1027732307.db2.gz QXACSUNYGRKTKV-UHFFFAOYSA-N 1 2 339.830 3.949 20 0 EHADLO Nc1cc(CNc2nnc(N3CCCCCC3)c3ccccc32)cc[nH+]1 ZINC001167617553 1027735831 /nfs/dbraw/zinc/73/58/31/1027735831.db2.gz UGIVVZVGGBDTEI-UHFFFAOYSA-N 1 2 348.454 3.600 20 0 EHADLO CCN(Cc1c(F)cccc1F)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420841696 1027783739 /nfs/dbraw/zinc/78/37/39/1027783739.db2.gz CQCYOFRBOCPHDW-UHFFFAOYSA-N 1 2 333.382 3.708 20 0 EHADLO Cc1cc(CNC(=O)N2CCC(CC(F)(F)F)CC2)cc(C)[nH+]1 ZINC000420845447 1027789839 /nfs/dbraw/zinc/78/98/39/1027789839.db2.gz ICLBLWUPFXAZMY-UHFFFAOYSA-N 1 2 329.366 3.572 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1[C@H]2CCCCCC[C@H]12 ZINC000665844020 1027791817 /nfs/dbraw/zinc/79/18/17/1027791817.db2.gz FCBWFCAQJUCTDW-IRXDYDNUSA-N 1 2 327.472 3.514 20 0 EHADLO Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000665843979 1027792641 /nfs/dbraw/zinc/79/26/41/1027792641.db2.gz CZVUJKJXNSKZGN-VQTJNVASSA-N 1 2 349.478 3.719 20 0 EHADLO Cc1cc(CNC(=O)N(C)CCOc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000420851354 1027794990 /nfs/dbraw/zinc/79/49/90/1027794990.db2.gz QVBJTOSROJBIPB-UHFFFAOYSA-N 1 2 347.846 3.572 20 0 EHADLO Cc1cc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc(C)[nH+]1 ZINC000420853362 1027797176 /nfs/dbraw/zinc/79/71/76/1027797176.db2.gz UEWANKXOVDAYIE-GOSISDBHSA-N 1 2 327.403 3.884 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420853805 1027798091 /nfs/dbraw/zinc/79/80/91/1027798091.db2.gz VAROXSAJWDHMGX-GOSISDBHSA-N 1 2 341.455 4.000 20 0 EHADLO Cc1cc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cc(Cl)n1 ZINC000897320270 1027824244 /nfs/dbraw/zinc/82/42/44/1027824244.db2.gz RLZKKCZEAHLMMY-UHFFFAOYSA-N 1 2 340.814 3.693 20 0 EHADLO CC[C@@H](C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000420869630 1027829787 /nfs/dbraw/zinc/82/97/87/1027829787.db2.gz FYLADXPVGDRSPG-RDTXWAMCSA-N 1 2 328.460 3.587 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)sc1Br ZINC000131886951 1027835862 /nfs/dbraw/zinc/83/58/62/1027835862.db2.gz DRJFTXWKJJTVEU-CYBMUJFWSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)sc1Br ZINC000131886951 1027835883 /nfs/dbraw/zinc/83/58/83/1027835883.db2.gz DRJFTXWKJJTVEU-CYBMUJFWSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)sc1Br ZINC000131887175 1027837068 /nfs/dbraw/zinc/83/70/68/1027837068.db2.gz DRJFTXWKJJTVEU-ZDUSSCGKSA-N 1 2 340.290 3.890 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)sc1Br ZINC000131887175 1027837085 /nfs/dbraw/zinc/83/70/85/1027837085.db2.gz DRJFTXWKJJTVEU-ZDUSSCGKSA-N 1 2 340.290 3.890 20 0 EHADLO CCC(CC)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000131922400 1027843159 /nfs/dbraw/zinc/84/31/59/1027843159.db2.gz TYXZSOQFJDTNSR-AWEZNQCLSA-N 1 2 345.874 3.931 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000420944218 1027902455 /nfs/dbraw/zinc/90/24/55/1027902455.db2.gz JBDRVYDBDCGEDA-NSHDSACASA-N 1 2 328.382 3.655 20 0 EHADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000420944218 1027902475 /nfs/dbraw/zinc/90/24/75/1027902475.db2.gz JBDRVYDBDCGEDA-NSHDSACASA-N 1 2 328.382 3.655 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420946341 1027903802 /nfs/dbraw/zinc/90/38/02/1027903802.db2.gz LPEDYZFDBFQMBQ-LLVKDONJSA-N 1 2 349.422 3.617 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)sc1C ZINC000420946341 1027903817 /nfs/dbraw/zinc/90/38/17/1027903817.db2.gz LPEDYZFDBFQMBQ-LLVKDONJSA-N 1 2 349.422 3.617 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420953983 1027918222 /nfs/dbraw/zinc/91/82/22/1027918222.db2.gz UAZZRUGRSDAMKF-CYBMUJFWSA-N 1 2 344.377 3.688 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420953983 1027918233 /nfs/dbraw/zinc/91/82/33/1027918233.db2.gz UAZZRUGRSDAMKF-CYBMUJFWSA-N 1 2 344.377 3.688 20 0 EHADLO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132631214 1027945845 /nfs/dbraw/zinc/94/58/45/1027945845.db2.gz NDGPKBKSAHPBMI-GFCCVEGCSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cccc(NC[C@H](c2ccccc2Cl)N2CCOCC2)[nH+]1 ZINC000114184518 1027969309 /nfs/dbraw/zinc/96/93/09/1027969309.db2.gz UKQVBHFDJNZQCB-QGZVFWFLSA-N 1 2 331.847 3.529 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484958 1027973689 /nfs/dbraw/zinc/97/36/89/1027973689.db2.gz NMXHRXMSPOWCTL-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484958 1027973702 /nfs/dbraw/zinc/97/37/02/1027973702.db2.gz NMXHRXMSPOWCTL-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccccc2)s1)C1CC(OC(C)(C)C)C1 ZINC000420997672 1027978725 /nfs/dbraw/zinc/97/87/25/1027978725.db2.gz AHIDUNURPKBNDM-UHFFFAOYSA-N 1 2 331.485 3.983 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CC(OC(C)(C)C)C1 ZINC000420997672 1027978741 /nfs/dbraw/zinc/97/87/41/1027978741.db2.gz AHIDUNURPKBNDM-UHFFFAOYSA-N 1 2 331.485 3.983 20 0 EHADLO COc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c(OC)cc1Cl ZINC000421036613 1028001487 /nfs/dbraw/zinc/00/14/87/1028001487.db2.gz FQVVYYYQDWOVDL-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000523170528 1028002382 /nfs/dbraw/zinc/00/23/82/1028002382.db2.gz RUCUGPQLIFEMNP-ROUUACIJSA-N 1 2 340.471 3.559 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nn1 ZINC000418106548 1028045998 /nfs/dbraw/zinc/04/59/98/1028045998.db2.gz ZWHTWTOXVOULLE-MRXNPFEDSA-N 1 2 334.414 3.518 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nn1 ZINC000418106548 1028046002 /nfs/dbraw/zinc/04/60/02/1028046002.db2.gz ZWHTWTOXVOULLE-MRXNPFEDSA-N 1 2 334.414 3.518 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)nc(C)n1 ZINC000078674541 1028082575 /nfs/dbraw/zinc/08/25/75/1028082575.db2.gz IKHJTRAASHMGKH-UHFFFAOYSA-N 1 2 345.878 3.576 20 0 EHADLO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000078676485 1028084038 /nfs/dbraw/zinc/08/40/38/1028084038.db2.gz GUVPVYWLYYZABV-DLBZAZTESA-N 1 2 346.519 3.666 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cs1 ZINC000134250585 1028104872 /nfs/dbraw/zinc/10/48/72/1028104872.db2.gz GICMPWGPKJHNME-AHIWAGSCSA-N 1 2 332.469 3.675 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cs1 ZINC000134250585 1028104880 /nfs/dbraw/zinc/10/48/80/1028104880.db2.gz GICMPWGPKJHNME-AHIWAGSCSA-N 1 2 332.469 3.675 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000246265492 1028114355 /nfs/dbraw/zinc/11/43/55/1028114355.db2.gz POMCWJYLEFKSKM-KBPBESRZSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000246265492 1028114369 /nfs/dbraw/zinc/11/43/69/1028114369.db2.gz POMCWJYLEFKSKM-KBPBESRZSA-N 1 2 349.525 3.697 20 0 EHADLO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1c1[nH+]cnc2c1cnn2C ZINC000509539125 1028149803 /nfs/dbraw/zinc/14/98/03/1028149803.db2.gz KECCEBIGHVGDCV-VIFPVBQESA-N 1 2 348.237 3.794 20 0 EHADLO Cc1[nH]ncc1C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000502373860 1028155791 /nfs/dbraw/zinc/15/57/91/1028155791.db2.gz LPMDOZQKMOHCRC-UHFFFAOYSA-N 1 2 334.261 3.860 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120812471 1028157417 /nfs/dbraw/zinc/15/74/17/1028157417.db2.gz NFFSWZDHOCGXCF-CZUORRHYSA-N 1 2 332.835 3.960 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000444689831 1028160187 /nfs/dbraw/zinc/16/01/87/1028160187.db2.gz HJOPOSHRQSAJCP-NSHDSACASA-N 1 2 344.768 3.695 20 0 EHADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000444689831 1028160199 /nfs/dbraw/zinc/16/01/99/1028160199.db2.gz HJOPOSHRQSAJCP-NSHDSACASA-N 1 2 344.768 3.695 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444693087 1028167735 /nfs/dbraw/zinc/16/77/35/1028167735.db2.gz ANPCFFQVWOAJIF-UHFFFAOYSA-N 1 2 344.405 3.588 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1cc(F)cc(F)c1 ZINC000444693087 1028167739 /nfs/dbraw/zinc/16/77/39/1028167739.db2.gz ANPCFFQVWOAJIF-UHFFFAOYSA-N 1 2 344.405 3.588 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000053274490 1028169627 /nfs/dbraw/zinc/16/96/27/1028169627.db2.gz SYGSWHKKMAHRJV-UHFFFAOYSA-N 1 2 325.437 3.740 20 0 EHADLO CC[N@H+](Cc1nccc(N)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000135185616 1028175940 /nfs/dbraw/zinc/17/59/40/1028175940.db2.gz ANBNMBKXXIGFLV-FQEVSTJZSA-N 1 2 336.414 3.809 20 0 EHADLO CC[N@@H+](Cc1nccc(N)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000135185616 1028175948 /nfs/dbraw/zinc/17/59/48/1028175948.db2.gz ANBNMBKXXIGFLV-FQEVSTJZSA-N 1 2 336.414 3.809 20 0 EHADLO CCCCn1nnnc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000532693221 1028181661 /nfs/dbraw/zinc/18/16/61/1028181661.db2.gz XJMOVVXUZQQKJE-UHFFFAOYSA-N 1 2 342.274 3.805 20 0 EHADLO C[NH2+]Cc1noc([C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000414506517 1028197338 /nfs/dbraw/zinc/19/73/38/1028197338.db2.gz WUIIQZNYYWDHJN-ROUUACIJSA-N 1 2 335.407 3.639 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c(C)[nH+]1 ZINC000455471793 1028203158 /nfs/dbraw/zinc/20/31/58/1028203158.db2.gz BIZRHCPDFRAAOX-YJBOKZPZSA-N 1 2 339.439 3.863 20 0 EHADLO Cc1ncc([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)s1 ZINC000090883387 1028213262 /nfs/dbraw/zinc/21/32/62/1028213262.db2.gz NQJQCUACVSHOJA-JTQLQIEISA-N 1 2 334.395 3.766 20 0 EHADLO COCc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)no1 ZINC000414507959 1028216052 /nfs/dbraw/zinc/21/60/52/1028216052.db2.gz XCJUSLKHKDCXBB-UHFFFAOYSA-N 1 2 345.624 3.527 20 0 EHADLO COCc1ccc([C@H]2CCCN2c2nc(C)[nH+]c3c2CCCC3)o1 ZINC000161672639 1028234269 /nfs/dbraw/zinc/23/42/69/1028234269.db2.gz DHNIYERGEVGAKX-QGZVFWFLSA-N 1 2 327.428 3.745 20 0 EHADLO CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054440903 1028235302 /nfs/dbraw/zinc/23/53/02/1028235302.db2.gz JBIHMENAYLVIBT-KRWDZBQOSA-N 1 2 338.798 3.722 20 0 EHADLO CC(C)C1(C)CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000548778803 1028259355 /nfs/dbraw/zinc/25/93/55/1028259355.db2.gz ZBVYLDJIGZSYDU-UHFFFAOYSA-N 1 2 341.459 3.616 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000475612359 1028261371 /nfs/dbraw/zinc/26/13/71/1028261371.db2.gz OGWWTDSCQJKXCV-PKOBYXMFSA-N 1 2 344.499 3.556 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2cccc(OC(C)(C)C)n2)c(C)[nH+]1 ZINC000455492566 1028263777 /nfs/dbraw/zinc/26/37/77/1028263777.db2.gz LFYRHUIQWBSAIH-UHFFFAOYSA-N 1 2 342.443 3.901 20 0 EHADLO COCc1cnc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000342941293 1028275593 /nfs/dbraw/zinc/27/55/93/1028275593.db2.gz JEMWNWAIYRQOQQ-CQSZACIVSA-N 1 2 338.860 3.596 20 0 EHADLO COCc1cnc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000342941293 1028275609 /nfs/dbraw/zinc/27/56/09/1028275609.db2.gz JEMWNWAIYRQOQQ-CQSZACIVSA-N 1 2 338.860 3.596 20 0 EHADLO COc1ccc2c(c1)[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)CCO2 ZINC000455507233 1028284273 /nfs/dbraw/zinc/28/42/73/1028284273.db2.gz YXCJQLXHTLEISK-INIZCTEOSA-N 1 2 341.411 3.661 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC000455535747 1028313464 /nfs/dbraw/zinc/31/34/64/1028313464.db2.gz AZHDGEQYMBHGSC-GOSISDBHSA-N 1 2 327.403 3.884 20 0 EHADLO O=C(NCc1ccc(Cl)s1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895561 1028345809 /nfs/dbraw/zinc/34/58/09/1028345809.db2.gz KMXPSQWDTVXSMB-UHFFFAOYSA-N 1 2 346.843 3.587 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+](Cc2ccccc2)CC2CCC2)cs1 ZINC000067461349 1028366766 /nfs/dbraw/zinc/36/67/66/1028366766.db2.gz QVXCUIHBSCNGHA-UHFFFAOYSA-N 1 2 329.469 3.904 20 0 EHADLO CC(=O)Nc1nc(C[N@H+](Cc2ccccc2)CC2CCC2)cs1 ZINC000067461349 1028366782 /nfs/dbraw/zinc/36/67/82/1028366782.db2.gz QVXCUIHBSCNGHA-UHFFFAOYSA-N 1 2 329.469 3.904 20 0 EHADLO COCCCC[N@H+](Cc1csc(NC(C)=O)n1)Cc1ccccc1 ZINC000067462224 1028367832 /nfs/dbraw/zinc/36/78/32/1028367832.db2.gz LOCCXCTVEDUNQO-UHFFFAOYSA-N 1 2 347.484 3.530 20 0 EHADLO COCCCC[N@@H+](Cc1csc(NC(C)=O)n1)Cc1ccccc1 ZINC000067462224 1028367845 /nfs/dbraw/zinc/36/78/45/1028367845.db2.gz LOCCXCTVEDUNQO-UHFFFAOYSA-N 1 2 347.484 3.530 20 0 EHADLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1F ZINC000138498158 1028368248 /nfs/dbraw/zinc/36/82/48/1028368248.db2.gz VBDKSDGOSQEYHL-CYBMUJFWSA-N 1 2 341.361 3.570 20 0 EHADLO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000545939664 1028464352 /nfs/dbraw/zinc/46/43/52/1028464352.db2.gz WNSKWXOBZWGMFL-PWSUYJOCSA-N 1 2 330.375 3.855 20 0 EHADLO C[N@H+](Cc1cccs1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342974470 1028470650 /nfs/dbraw/zinc/47/06/50/1028470650.db2.gz FQJCVAIOZLNFIY-GOSISDBHSA-N 1 2 328.481 3.934 20 0 EHADLO C[N@@H+](Cc1cccs1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342974470 1028470658 /nfs/dbraw/zinc/47/06/58/1028470658.db2.gz FQJCVAIOZLNFIY-GOSISDBHSA-N 1 2 328.481 3.934 20 0 EHADLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1nc2ccccc2[nH]1 ZINC000455562795 1028474326 /nfs/dbraw/zinc/47/43/26/1028474326.db2.gz SMCGQNBUEMFBMN-OAHLLOKOSA-N 1 2 337.427 3.525 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c[nH+]1 ZINC000455563459 1028478858 /nfs/dbraw/zinc/47/88/58/1028478858.db2.gz TYUZZECHFMOACO-IBGZPJMESA-N 1 2 341.430 3.754 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cn1 ZINC000628189509 1028498073 /nfs/dbraw/zinc/49/80/73/1028498073.db2.gz CQLGBOASRWRHKL-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C)c(Br)cn1 ZINC000628189509 1028498082 /nfs/dbraw/zinc/49/80/82/1028498082.db2.gz CQLGBOASRWRHKL-MRXNPFEDSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c[nH+]1 ZINC000455567165 1028515477 /nfs/dbraw/zinc/51/54/77/1028515477.db2.gz YRBFXOZPHZZNQL-WBVHZDCISA-N 1 2 341.430 3.925 20 0 EHADLO CC(C)c1cccc(NC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508518091 1028520279 /nfs/dbraw/zinc/52/02/79/1028520279.db2.gz LNMBECLGDREGCK-GPMSIDNRSA-N 1 2 332.488 3.882 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475623029 1028548585 /nfs/dbraw/zinc/54/85/85/1028548585.db2.gz XFUVRZQTPXHEON-MLGOLLRUSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000475623029 1028548600 /nfs/dbraw/zinc/54/86/00/1028548600.db2.gz XFUVRZQTPXHEON-MLGOLLRUSA-N 1 2 330.255 3.763 20 0 EHADLO CCOc1ccccc1OCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421553324 1028554926 /nfs/dbraw/zinc/55/49/26/1028554926.db2.gz DPFKPZBZHBJHPN-UHFFFAOYSA-N 1 2 342.439 3.573 20 0 EHADLO Cc1ccc(Br)c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421574013 1028565909 /nfs/dbraw/zinc/56/59/09/1028565909.db2.gz DDURVTWIQHTZPV-UHFFFAOYSA-N 1 2 333.229 3.699 20 0 EHADLO CC(C)c1ccccc1OCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195069489 1028575711 /nfs/dbraw/zinc/57/57/11/1028575711.db2.gz WGNHJWFZNZVRKR-LJQANCHMSA-N 1 2 336.439 3.686 20 0 EHADLO O[C@@H](C[NH2+][C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1F ZINC000195069739 1028576327 /nfs/dbraw/zinc/57/63/27/1028576327.db2.gz POXVVXQURSHTAU-DLBZAZTESA-N 1 2 346.402 3.834 20 0 EHADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C)c1cc2ccccc2o1 ZINC000583026986 1028585031 /nfs/dbraw/zinc/58/50/31/1028585031.db2.gz AOWZVOBYPFGLDP-GDBMZVCRSA-N 1 2 337.423 3.801 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000342998234 1028587786 /nfs/dbraw/zinc/58/77/86/1028587786.db2.gz VXYAKOZUXNJNJL-UKRRQHHQSA-N 1 2 336.505 3.637 20 0 EHADLO CC(C)[C@H]1CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000342998234 1028587796 /nfs/dbraw/zinc/58/77/96/1028587796.db2.gz VXYAKOZUXNJNJL-UKRRQHHQSA-N 1 2 336.505 3.637 20 0 EHADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nc(C)no2)cc1 ZINC000122253282 1028594246 /nfs/dbraw/zinc/59/42/46/1028594246.db2.gz SLMFBJITNFZHSS-GOSISDBHSA-N 1 2 341.386 3.599 20 0 EHADLO C[C@@H](CN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000523750882 1028602343 /nfs/dbraw/zinc/60/23/43/1028602343.db2.gz MRGDJHYSLBGTCY-KRWDZBQOSA-N 1 2 348.450 3.817 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000468277966 1028604048 /nfs/dbraw/zinc/60/40/48/1028604048.db2.gz IHCRLNOQTMWUOG-UHFFFAOYSA-N 1 2 331.419 3.946 20 0 EHADLO CCc1cc(=O)[nH]c(C[N@@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000468277966 1028604059 /nfs/dbraw/zinc/60/40/59/1028604059.db2.gz IHCRLNOQTMWUOG-UHFFFAOYSA-N 1 2 331.419 3.946 20 0 EHADLO CC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1C ZINC000074430682 1028614622 /nfs/dbraw/zinc/61/46/22/1028614622.db2.gz MHNJPVHXAGSSBM-UHFFFAOYSA-N 1 2 348.406 3.700 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000523860482 1028674424 /nfs/dbraw/zinc/67/44/24/1028674424.db2.gz POGWRCCGCWOBSL-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000523860482 1028674433 /nfs/dbraw/zinc/67/44/33/1028674433.db2.gz POGWRCCGCWOBSL-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475627807 1028728703 /nfs/dbraw/zinc/72/87/03/1028728703.db2.gz VGVJLSOJFWFXFP-BBRMVZONSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000475627807 1028728717 /nfs/dbraw/zinc/72/87/17/1028728717.db2.gz VGVJLSOJFWFXFP-BBRMVZONSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475627810 1028729411 /nfs/dbraw/zinc/72/94/11/1028729411.db2.gz VGVJLSOJFWFXFP-XJKSGUPXSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000475627810 1028729421 /nfs/dbraw/zinc/72/94/21/1028729421.db2.gz VGVJLSOJFWFXFP-XJKSGUPXSA-N 1 2 330.255 3.763 20 0 EHADLO CCCOc1cc(O)ccc1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000429733238 1028732083 /nfs/dbraw/zinc/73/20/83/1028732083.db2.gz BSBHKXKYCGELJH-UHFFFAOYSA-N 1 2 340.383 3.781 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000421747345 1028749427 /nfs/dbraw/zinc/74/94/27/1028749427.db2.gz HNUOEDUTMOUDAY-CYBMUJFWSA-N 1 2 346.500 3.908 20 0 EHADLO CCCc1[nH]ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000421747345 1028749439 /nfs/dbraw/zinc/74/94/39/1028749439.db2.gz HNUOEDUTMOUDAY-CYBMUJFWSA-N 1 2 346.500 3.908 20 0 EHADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000245513375 1028758367 /nfs/dbraw/zinc/75/83/67/1028758367.db2.gz CKFPKENVEWPYGL-MOPGFXCFSA-N 1 2 341.455 3.695 20 0 EHADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000245513375 1028758385 /nfs/dbraw/zinc/75/83/85/1028758385.db2.gz CKFPKENVEWPYGL-MOPGFXCFSA-N 1 2 341.455 3.695 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000524014710 1028767129 /nfs/dbraw/zinc/76/71/29/1028767129.db2.gz UKHNDVDEDTZAFH-IBGZPJMESA-N 1 2 333.435 3.857 20 0 EHADLO CC1(C)CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000454327406 1028777761 /nfs/dbraw/zinc/77/77/61/1028777761.db2.gz GUDSAUKXUYYPJN-INIZCTEOSA-N 1 2 344.503 3.566 20 0 EHADLO CC[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245537246 1028780954 /nfs/dbraw/zinc/78/09/54/1028780954.db2.gz IQPKJKMUASUHOK-RHSMWYFYSA-N 1 2 345.874 3.995 20 0 EHADLO CC[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000245537246 1028780964 /nfs/dbraw/zinc/78/09/64/1028780964.db2.gz IQPKJKMUASUHOK-RHSMWYFYSA-N 1 2 345.874 3.995 20 0 EHADLO CC(C)c1ccc(O[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000583088225 1028788064 /nfs/dbraw/zinc/78/80/64/1028788064.db2.gz XOQDSRXHFFSCBK-HOTGVXAUSA-N 1 2 329.444 3.541 20 0 EHADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503266 1028794322 /nfs/dbraw/zinc/79/43/22/1028794322.db2.gz ONZPQFSEEIWYBJ-KRWDZBQOSA-N 1 2 343.471 3.591 20 0 EHADLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503266 1028794337 /nfs/dbraw/zinc/79/43/37/1028794337.db2.gz ONZPQFSEEIWYBJ-KRWDZBQOSA-N 1 2 343.471 3.591 20 0 EHADLO O=[S@@](Cc1c[nH+]cn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000445484142 1028846272 /nfs/dbraw/zinc/84/62/72/1028846272.db2.gz WHLNGTDFUFRXEI-QFIPXVFZSA-N 1 2 330.840 3.893 20 0 EHADLO CCOc1cccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454403454 1028850052 /nfs/dbraw/zinc/85/00/52/1028850052.db2.gz HMGZZGIDHKMZAG-OAHLLOKOSA-N 1 2 327.428 3.658 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)ccc2[nH+]1 ZINC000524131094 1028912427 /nfs/dbraw/zinc/91/24/27/1028912427.db2.gz DLXGBKSXZXQTFR-PBHICJAKSA-N 1 2 344.459 3.606 20 0 EHADLO Cc1[nH]c2ccccc2c1CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454445748 1028932578 /nfs/dbraw/zinc/93/25/78/1028932578.db2.gz LMKVXIUTIFOVKK-UHFFFAOYSA-N 1 2 336.439 3.530 20 0 EHADLO Cc1cc(Br)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414560093 1028938379 /nfs/dbraw/zinc/93/83/79/1028938379.db2.gz WCKFGMJHRLJFID-UHFFFAOYSA-N 1 2 338.274 3.776 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000248911088 1028965882 /nfs/dbraw/zinc/96/58/82/1028965882.db2.gz YCEKLYWXWOKXHD-YJBOKZPZSA-N 1 2 345.512 3.950 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000248911088 1028965897 /nfs/dbraw/zinc/96/58/97/1028965897.db2.gz YCEKLYWXWOKXHD-YJBOKZPZSA-N 1 2 345.512 3.950 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2nccc3ccccc32)s1 ZINC000424330904 1028979155 /nfs/dbraw/zinc/97/91/55/1028979155.db2.gz RJLJYWLYYIBLIA-RYUDHWBXSA-N 1 2 341.436 3.890 20 0 EHADLO CC(C)[C@@H](CC1CCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152712043 1028988218 /nfs/dbraw/zinc/98/82/18/1028988218.db2.gz DGNBZZKTRYYXQR-ZWKOTPCHSA-N 1 2 329.488 3.629 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248669 1028997239 /nfs/dbraw/zinc/99/72/39/1028997239.db2.gz XDNYHFPGVOLRNK-YDHLFZDLSA-N 1 2 331.485 3.736 20 0 EHADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249248669 1028997256 /nfs/dbraw/zinc/99/72/56/1028997256.db2.gz XDNYHFPGVOLRNK-YDHLFZDLSA-N 1 2 331.485 3.736 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249379391 1029001716 /nfs/dbraw/zinc/00/17/16/1029001716.db2.gz OSPNSUFHSGKUBN-IKGGRYGDSA-N 1 2 345.487 3.560 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809435 1029048339 /nfs/dbraw/zinc/04/83/39/1029048339.db2.gz QSAACJNAJAUUBX-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000076809435 1029048350 /nfs/dbraw/zinc/04/83/50/1029048350.db2.gz QSAACJNAJAUUBX-OCCSQVGLSA-N 1 2 347.821 3.691 20 0 EHADLO CCOc1c(Cl)cccc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475633513 1029063766 /nfs/dbraw/zinc/06/37/66/1029063766.db2.gz XFDLEIYUGZWGEF-GOSISDBHSA-N 1 2 339.863 3.509 20 0 EHADLO CCOc1c(Cl)cccc1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475633513 1029063782 /nfs/dbraw/zinc/06/37/82/1029063782.db2.gz XFDLEIYUGZWGEF-GOSISDBHSA-N 1 2 339.863 3.509 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NCc1ccccc1-n1cc[nH+]c1 ZINC000076991391 1029070196 /nfs/dbraw/zinc/07/01/96/1029070196.db2.gz QJDNJSQVLBYKMA-UHFFFAOYSA-N 1 2 345.855 3.836 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1F ZINC000532920162 1029072438 /nfs/dbraw/zinc/07/24/38/1029072438.db2.gz MVMKOUDFXMDSNH-GJZGRUSLSA-N 1 2 326.415 3.624 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccccc1F ZINC000532920162 1029072455 /nfs/dbraw/zinc/07/24/55/1029072455.db2.gz MVMKOUDFXMDSNH-GJZGRUSLSA-N 1 2 326.415 3.624 20 0 EHADLO CC(C)(C)SCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000179181948 1029074231 /nfs/dbraw/zinc/07/42/31/1029074231.db2.gz DPYUAJLSUBRLFN-UHFFFAOYSA-N 1 2 331.485 3.800 20 0 EHADLO CCC(CC)c1cc(CNC(=O)NCc2c[nH+]c(C)cc2C)on1 ZINC000454567584 1029077017 /nfs/dbraw/zinc/07/70/17/1029077017.db2.gz QEYGWSNLVFKNHW-UHFFFAOYSA-N 1 2 330.432 3.589 20 0 EHADLO C[N@H+](Cc1nc(C(C)(C)Cc2ccccc2)no1)[C@@H]1CCSC1 ZINC000445778294 1029122214 /nfs/dbraw/zinc/12/22/14/1029122214.db2.gz WHHFHNORIKPQNP-OAHLLOKOSA-N 1 2 331.485 3.527 20 0 EHADLO C[N@@H+](Cc1nc(C(C)(C)Cc2ccccc2)no1)[C@@H]1CCSC1 ZINC000445778294 1029122221 /nfs/dbraw/zinc/12/22/21/1029122221.db2.gz WHHFHNORIKPQNP-OAHLLOKOSA-N 1 2 331.485 3.527 20 0 EHADLO CCCC[C@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434168954 1029141667 /nfs/dbraw/zinc/14/16/67/1029141667.db2.gz XHZRAMLOMXNVNF-JQHSSLGASA-N 1 2 331.460 3.603 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000532974219 1029151111 /nfs/dbraw/zinc/15/11/11/1029151111.db2.gz XRNOUTIDULNRLI-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000532974219 1029151113 /nfs/dbraw/zinc/15/11/13/1029151113.db2.gz XRNOUTIDULNRLI-OLZOCXBDSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCCc4ccccc4CC3)ccc2[nH+]1 ZINC000454666485 1029156299 /nfs/dbraw/zinc/15/62/99/1029156299.db2.gz FRFUJZWKTVXBSI-UHFFFAOYSA-N 1 2 334.423 3.666 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCCC[C@@H]1c1ccccc1 ZINC000079769734 1029168328 /nfs/dbraw/zinc/16/83/28/1029168328.db2.gz FWRUGLUXIWSABA-LJQANCHMSA-N 1 2 340.471 3.990 20 0 EHADLO CSc1ccc(C)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271785755 1029170160 /nfs/dbraw/zinc/17/01/60/1029170160.db2.gz CEHWMPFHTSMSFV-CYBMUJFWSA-N 1 2 330.457 3.852 20 0 EHADLO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271804005 1029180262 /nfs/dbraw/zinc/18/02/62/1029180262.db2.gz LIDBSSZKORYTEG-FUHWJXTLSA-N 1 2 325.456 3.775 20 0 EHADLO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124373732 1029207816 /nfs/dbraw/zinc/20/78/16/1029207816.db2.gz HUCVTLQMENHASH-KBAYOESNSA-N 1 2 343.496 3.864 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3nnc(CC)[nH]3)oc21 ZINC000271902835 1029222342 /nfs/dbraw/zinc/22/23/42/1029222342.db2.gz WBOAPGFNYMJPCX-VXGBXAGGSA-N 1 2 328.416 3.924 20 0 EHADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000271923422 1029231932 /nfs/dbraw/zinc/23/19/32/1029231932.db2.gz AYDUMJNVKDXMHO-UHFFFAOYSA-N 1 2 345.393 3.516 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC000245749574 1029238659 /nfs/dbraw/zinc/23/86/59/1029238659.db2.gz GYVDQPSPGSDEEG-PVAVHDDUSA-N 1 2 336.501 3.569 20 0 EHADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC000245749574 1029238672 /nfs/dbraw/zinc/23/86/72/1029238672.db2.gz GYVDQPSPGSDEEG-PVAVHDDUSA-N 1 2 336.501 3.569 20 0 EHADLO C[C@H](c1cccc(NC(=O)N2CC(C(C)(C)C)C2)c1)[NH+]1CCOCC1 ZINC000454725294 1029241623 /nfs/dbraw/zinc/24/16/23/1029241623.db2.gz ARTQVTRCOLYKMK-OAHLLOKOSA-N 1 2 345.487 3.590 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000285474022 1029289286 /nfs/dbraw/zinc/28/92/86/1029289286.db2.gz HSJUTQYUAZYAKL-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000285474022 1029289305 /nfs/dbraw/zinc/28/93/05/1029289305.db2.gz HSJUTQYUAZYAKL-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCC1 ZINC000533084190 1029295174 /nfs/dbraw/zinc/29/51/74/1029295174.db2.gz CNWQZNCSRYGTIM-LJQANCHMSA-N 1 2 340.471 3.825 20 0 EHADLO CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCC1 ZINC000533084189 1029295915 /nfs/dbraw/zinc/29/59/15/1029295915.db2.gz CNWQZNCSRYGTIM-IBGZPJMESA-N 1 2 340.471 3.825 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000272080251 1029302959 /nfs/dbraw/zinc/30/29/59/1029302959.db2.gz FRHBVODMJZOKLD-MAUKXSAKSA-N 1 2 326.444 3.502 20 0 EHADLO O=C(C/C=C\c1ccc(F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255335302 1029367384 /nfs/dbraw/zinc/36/73/84/1029367384.db2.gz NJFINWWCMYMZJJ-IHWYPQMZSA-N 1 2 349.409 3.790 20 0 EHADLO CCc1nc(NC(=O)NCCCCn2cc[nH+]c2)sc1C(C)(C)C ZINC000583249094 1029415193 /nfs/dbraw/zinc/41/51/93/1029415193.db2.gz LNACHRJRSXUXDL-UHFFFAOYSA-N 1 2 349.504 3.801 20 0 EHADLO Cc1cc(CNC(=O)CCc2cccc(OC(F)F)c2)cc(C)[nH+]1 ZINC000424892126 1029422196 /nfs/dbraw/zinc/42/21/96/1029422196.db2.gz NCKHNRLYFRYQMV-UHFFFAOYSA-N 1 2 334.366 3.549 20 0 EHADLO CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533168425 1029424957 /nfs/dbraw/zinc/42/49/57/1029424957.db2.gz WUAKWAXIYMBASK-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533168425 1029424965 /nfs/dbraw/zinc/42/49/65/1029424965.db2.gz WUAKWAXIYMBASK-HZPDHXFCSA-N 1 2 341.858 3.666 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cnc4ccccc4c3)CC2)cc1 ZINC000272355264 1029429799 /nfs/dbraw/zinc/42/97/99/1029429799.db2.gz ASPXCKIPXHGOKQ-UHFFFAOYSA-N 1 2 345.446 3.501 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C)c1 ZINC000524701199 1029439699 /nfs/dbraw/zinc/43/96/99/1029439699.db2.gz SFUOGJACMWIZKL-QGZVFWFLSA-N 1 2 340.442 3.962 20 0 EHADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000611757886 1029460816 /nfs/dbraw/zinc/46/08/16/1029460816.db2.gz NRXYVOZPGKGZQP-GDAAHCPNSA-N 1 2 337.467 3.566 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000434175855 1029462069 /nfs/dbraw/zinc/46/20/69/1029462069.db2.gz ZYUNAACRORPKRZ-LJQANCHMSA-N 1 2 348.450 3.745 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446409 1029462167 /nfs/dbraw/zinc/46/21/67/1029462167.db2.gz DBDZPIQQSMIDLO-JSGCOSHPSA-N 1 2 330.457 3.553 20 0 EHADLO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000272446409 1029462175 /nfs/dbraw/zinc/46/21/75/1029462175.db2.gz DBDZPIQQSMIDLO-JSGCOSHPSA-N 1 2 330.457 3.553 20 0 EHADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1C2CCC1CC2 ZINC000533237221 1029520313 /nfs/dbraw/zinc/52/03/13/1029520313.db2.gz FOPPIPVZRURRDU-XGNXJENSSA-N 1 2 326.396 3.589 20 0 EHADLO Cc1c2cccc(C)c2oc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272618578 1029537542 /nfs/dbraw/zinc/53/75/42/1029537542.db2.gz ILOMQYQZAKFZMQ-OAHLLOKOSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1c2cccc(C)c2oc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272618578 1029537547 /nfs/dbraw/zinc/53/75/47/1029537547.db2.gz ILOMQYQZAKFZMQ-OAHLLOKOSA-N 1 2 341.411 3.881 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434301912 1029556767 /nfs/dbraw/zinc/55/67/67/1029556767.db2.gz SLMYFUBLSGMTRF-CQSZACIVSA-N 1 2 329.469 3.605 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434301912 1029556773 /nfs/dbraw/zinc/55/67/73/1029556773.db2.gz SLMYFUBLSGMTRF-CQSZACIVSA-N 1 2 329.469 3.605 20 0 EHADLO CCSCc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272675862 1029561424 /nfs/dbraw/zinc/56/14/24/1029561424.db2.gz RCDBKIXZWBFPKV-MRXNPFEDSA-N 1 2 347.484 3.771 20 0 EHADLO CCSCc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272675862 1029561437 /nfs/dbraw/zinc/56/14/37/1029561437.db2.gz RCDBKIXZWBFPKV-MRXNPFEDSA-N 1 2 347.484 3.771 20 0 EHADLO Cc1ccc([C@]2(C)CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000583292603 1029579191 /nfs/dbraw/zinc/57/91/91/1029579191.db2.gz RVKNWJSTWUGNLS-HXUWFJFHSA-N 1 2 334.423 3.838 20 0 EHADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000155792408 1029651527 /nfs/dbraw/zinc/65/15/27/1029651527.db2.gz DWSFJQBMORMPGY-QWRGUYRKSA-N 1 2 338.238 3.630 20 0 EHADLO CC[C@@H](CC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C)cc1 ZINC000155808072 1029663461 /nfs/dbraw/zinc/66/34/61/1029663461.db2.gz DINMEYZPUPPDNV-KRWDZBQOSA-N 1 2 339.483 3.770 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000666837066 1029668739 /nfs/dbraw/zinc/66/87/39/1029668739.db2.gz KBPBSKNKTOIPNM-IIAWOOMASA-N 1 2 329.831 3.541 20 0 EHADLO CC1(C)CCCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000446501304 1029669255 /nfs/dbraw/zinc/66/92/55/1029669255.db2.gz JVAJQLSWFJZWMR-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000583362435 1029707354 /nfs/dbraw/zinc/70/73/54/1029707354.db2.gz XJLLEABYUAWVAE-ZDUSSCGKSA-N 1 2 327.457 3.581 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000079852577 1029731510 /nfs/dbraw/zinc/73/15/10/1029731510.db2.gz DYNWMFGQAPOVEX-UHFFFAOYSA-N 1 2 347.353 3.858 20 0 EHADLO COC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccco1 ZINC000080240207 1029748392 /nfs/dbraw/zinc/74/83/92/1029748392.db2.gz IZBUBNHSZWMPGL-CQSZACIVSA-N 1 2 337.803 3.572 20 0 EHADLO C[C@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126610196 1029753859 /nfs/dbraw/zinc/75/38/59/1029753859.db2.gz HQCRYXQMKUYDLR-YWWBLUBBSA-N 1 2 327.403 3.535 20 0 EHADLO Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1CO ZINC001211578825 1029754525 /nfs/dbraw/zinc/75/45/25/1029754525.db2.gz QXCRZTTXBBENQG-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000508704233 1029767502 /nfs/dbraw/zinc/76/75/02/1029767502.db2.gz QSOXXGRMNGFXKF-LJQANCHMSA-N 1 2 328.456 3.576 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000508704233 1029767508 /nfs/dbraw/zinc/76/75/08/1029767508.db2.gz QSOXXGRMNGFXKF-LJQANCHMSA-N 1 2 328.456 3.576 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428628704 1029775254 /nfs/dbraw/zinc/77/52/54/1029775254.db2.gz YSHYLDOVPVEBSL-IRXDYDNUSA-N 1 2 332.492 3.576 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000525274508 1029785229 /nfs/dbraw/zinc/78/52/29/1029785229.db2.gz UKZAPXUAOZMQEK-HNNXBMFYSA-N 1 2 336.348 3.986 20 0 EHADLO COC(=O)c1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000583420757 1029801314 /nfs/dbraw/zinc/80/13/14/1029801314.db2.gz OVSQPQKTFJVWGS-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COC(=O)c1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000583420757 1029801324 /nfs/dbraw/zinc/80/13/24/1029801324.db2.gz OVSQPQKTFJVWGS-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COc1ccncc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000287510915 1029802398 /nfs/dbraw/zinc/80/23/98/1029802398.db2.gz YLQZCQSFWZJDHV-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ccncc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000287510915 1029802405 /nfs/dbraw/zinc/80/24/05/1029802405.db2.gz YLQZCQSFWZJDHV-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000080039298 1029812926 /nfs/dbraw/zinc/81/29/26/1029812926.db2.gz IDVSKLJXYMJIQP-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000080039298 1029812934 /nfs/dbraw/zinc/81/29/34/1029812934.db2.gz IDVSKLJXYMJIQP-HNNXBMFYSA-N 1 2 340.320 3.503 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CSC2 ZINC000634985886 1029852097 /nfs/dbraw/zinc/85/20/97/1029852097.db2.gz GAINDUYFCAXCDJ-ZDUSSCGKSA-N 1 2 325.231 3.515 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)n[nH]1 ZINC000360215110 1029855645 /nfs/dbraw/zinc/85/56/45/1029855645.db2.gz ZQUACWVRIATNLK-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1cc(C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)[nH]n1 ZINC000360215110 1029855652 /nfs/dbraw/zinc/85/56/52/1029855652.db2.gz ZQUACWVRIATNLK-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO Cc1cc(Cl)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C ZINC000455730896 1029865192 /nfs/dbraw/zinc/86/51/92/1029865192.db2.gz IWVJVEZMTUHETE-UHFFFAOYSA-N 1 2 346.862 3.854 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089360727 1029890849 /nfs/dbraw/zinc/89/08/49/1029890849.db2.gz QKYNJMPLNZAFKI-UHFFFAOYSA-N 1 2 342.402 3.552 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000428685896 1029898458 /nfs/dbraw/zinc/89/84/58/1029898458.db2.gz YMZXQNXEHYVFAM-KRWDZBQOSA-N 1 2 342.487 3.671 20 0 EHADLO CCn1cc(C[N@H+](C)Cc2cc(Cl)ccc2OC(F)F)cn1 ZINC000537626417 1029906481 /nfs/dbraw/zinc/90/64/81/1029906481.db2.gz QTSBNIGPLSGLNK-UHFFFAOYSA-N 1 2 329.778 3.790 20 0 EHADLO CCn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)cn1 ZINC000537626417 1029906493 /nfs/dbraw/zinc/90/64/93/1029906493.db2.gz QTSBNIGPLSGLNK-UHFFFAOYSA-N 1 2 329.778 3.790 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1CCCCCC1 ZINC000155693606 1029982255 /nfs/dbraw/zinc/98/22/55/1029982255.db2.gz CMMKHOYQWJHHPD-UHFFFAOYSA-N 1 2 331.460 3.526 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(C)c1 ZINC000120293373 1029995030 /nfs/dbraw/zinc/99/50/30/1029995030.db2.gz GWZVKTREFYHWNK-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(C)c1 ZINC000120293373 1029995041 /nfs/dbraw/zinc/99/50/41/1029995041.db2.gz GWZVKTREFYHWNK-CQSZACIVSA-N 1 2 333.863 3.754 20 0 EHADLO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)c2ccccc21 ZINC000583526809 1030035350 /nfs/dbraw/zinc/03/53/50/1030035350.db2.gz BVUHLLFVJDSWID-HXUWFJFHSA-N 1 2 349.455 3.972 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000453291892 1030039104 /nfs/dbraw/zinc/03/91/04/1030039104.db2.gz OGPIOBUPACTFJM-AWEZNQCLSA-N 1 2 334.851 3.893 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2cncc(C)c2)sc1Br ZINC000453274993 1030059108 /nfs/dbraw/zinc/05/91/08/1030059108.db2.gz YCDJFPMTJWKTNY-VIFPVBQESA-N 1 2 326.263 3.768 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)o1 ZINC000600630093 1030083305 /nfs/dbraw/zinc/08/33/05/1030083305.db2.gz KDFUJCYOLLVEMY-HUUCEWRRSA-N 1 2 340.471 3.609 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1SC ZINC000453312034 1030085079 /nfs/dbraw/zinc/08/50/79/1030085079.db2.gz CJIHLCABEHFFJI-JTQLQIEISA-N 1 2 325.865 3.655 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115054 1030087840 /nfs/dbraw/zinc/08/78/40/1030087840.db2.gz VHVCZTPETUDAGS-SNVBAGLBSA-N 1 2 346.254 3.863 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115054 1030087846 /nfs/dbraw/zinc/08/78/46/1030087846.db2.gz VHVCZTPETUDAGS-SNVBAGLBSA-N 1 2 346.254 3.863 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000058795344 1030112585 /nfs/dbraw/zinc/11/25/85/1030112585.db2.gz FJJJVSKCEZIZMG-UHFFFAOYSA-N 1 2 347.462 3.834 20 0 EHADLO CC(C)c1nc2ccccc2c(SCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000447330084 1030115225 /nfs/dbraw/zinc/11/52/25/1030115225.db2.gz NUXYSXWRUZRJRZ-AWEZNQCLSA-N 1 2 331.485 3.566 20 0 EHADLO CC(C)c1nc2ccccc2c(SCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000447330084 1030115231 /nfs/dbraw/zinc/11/52/31/1030115231.db2.gz NUXYSXWRUZRJRZ-AWEZNQCLSA-N 1 2 331.485 3.566 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](c2ncccc2C)C(C)C)cs1 ZINC000120918741 1030126113 /nfs/dbraw/zinc/12/61/13/1030126113.db2.gz HDKNIHKHWYGZLS-AWEZNQCLSA-N 1 2 333.457 3.510 20 0 EHADLO CCCc1nc(C)c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000058958803 1030143071 /nfs/dbraw/zinc/14/30/71/1030143071.db2.gz AQWFJNTZGQKAAM-UHFFFAOYSA-N 1 2 347.484 3.697 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000453365379 1030180444 /nfs/dbraw/zinc/18/04/44/1030180444.db2.gz NDBYSRMNDMYWHK-JTQLQIEISA-N 1 2 326.318 3.682 20 0 EHADLO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000453412081 1030226843 /nfs/dbraw/zinc/22/68/43/1030226843.db2.gz XPESIYBYXYICEN-UGSOOPFHSA-N 1 2 346.450 3.795 20 0 EHADLO CC1(C)C[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082944 1030233233 /nfs/dbraw/zinc/23/32/33/1030233233.db2.gz ZRCGAAOAROYUPV-HNNXBMFYSA-N 1 2 336.439 3.769 20 0 EHADLO Clc1cccc(OCCCN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000343316433 1030248692 /nfs/dbraw/zinc/24/86/92/1030248692.db2.gz ASLYDQMKGBGWPG-UHFFFAOYSA-N 1 2 334.847 3.520 20 0 EHADLO CCOc1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1CO ZINC000892345375 1030252518 /nfs/dbraw/zinc/25/25/18/1030252518.db2.gz NNQRCXNQSPPXTO-UHFFFAOYSA-N 1 2 326.440 3.772 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000525992564 1030284429 /nfs/dbraw/zinc/28/44/29/1030284429.db2.gz WGGNRFJOEXHUKZ-XJKSGUPXSA-N 1 2 339.863 3.691 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000525992564 1030284442 /nfs/dbraw/zinc/28/44/42/1030284442.db2.gz WGGNRFJOEXHUKZ-XJKSGUPXSA-N 1 2 339.863 3.691 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCCC[C@H](C)C1 ZINC000482280843 1030304501 /nfs/dbraw/zinc/30/45/01/1030304501.db2.gz RISWLQDKVJKRPI-ZDUSSCGKSA-N 1 2 329.893 3.756 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCCC[C@H](C)C1 ZINC000482280843 1030304518 /nfs/dbraw/zinc/30/45/18/1030304518.db2.gz RISWLQDKVJKRPI-ZDUSSCGKSA-N 1 2 329.893 3.756 20 0 EHADLO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121757542 1030357707 /nfs/dbraw/zinc/35/77/07/1030357707.db2.gz MDQINMDNWNFNCI-ROUUACIJSA-N 1 2 344.503 3.792 20 0 EHADLO COc1c(Cl)cccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129094085 1030360719 /nfs/dbraw/zinc/36/07/19/1030360719.db2.gz BQJYOEVSDAVJAF-DOMZBBRYSA-N 1 2 348.834 3.660 20 0 EHADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@H]1c1cccs1 ZINC000635116187 1030374940 /nfs/dbraw/zinc/37/49/40/1030374940.db2.gz BWBWAXVOHNFRQM-AAEUAGOBSA-N 1 2 343.374 3.802 20 0 EHADLO Cc1cccc(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[nH+]1 ZINC000157280600 1030404056 /nfs/dbraw/zinc/40/40/56/1030404056.db2.gz HIAQKQYUYWUKBX-KRWDZBQOSA-N 1 2 331.847 3.529 20 0 EHADLO Fc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1OC1COC1 ZINC001213089985 1030407020 /nfs/dbraw/zinc/40/70/20/1030407020.db2.gz OLLMYBAXOQAJNC-UHFFFAOYSA-N 1 2 325.343 3.737 20 0 EHADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000453619941 1030408638 /nfs/dbraw/zinc/40/86/38/1030408638.db2.gz WJYYGJDTNIKZJO-VIFPVBQESA-N 1 2 344.267 3.875 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(-c2ccccc2)[nH]1 ZINC000343359214 1030482018 /nfs/dbraw/zinc/48/20/18/1030482018.db2.gz JEPOKBVUEYXVHE-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO CC[C@H]([NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)OC ZINC000447798360 1030482309 /nfs/dbraw/zinc/48/23/09/1030482309.db2.gz VXSDIIGILIYDIC-LBPRGKRZSA-N 1 2 329.227 3.558 20 0 EHADLO Cc1cc(N2C[C@H](O)C(C)(C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000447816880 1030494360 /nfs/dbraw/zinc/49/43/60/1030494360.db2.gz NDGPXUALKAHZJR-AWEZNQCLSA-N 1 2 340.345 3.649 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000583701534 1030501860 /nfs/dbraw/zinc/50/18/60/1030501860.db2.gz RUQLDLXNIRKFAG-UHFFFAOYSA-N 1 2 329.440 3.730 20 0 EHADLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000583701534 1030501874 /nfs/dbraw/zinc/50/18/74/1030501874.db2.gz RUQLDLXNIRKFAG-UHFFFAOYSA-N 1 2 329.440 3.730 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447825979 1030502919 /nfs/dbraw/zinc/50/29/19/1030502919.db2.gz GZRTYRKFHMXMJO-HPTBWKMGSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447825979 1030502929 /nfs/dbraw/zinc/50/29/29/1030502929.db2.gz GZRTYRKFHMXMJO-HPTBWKMGSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447825978 1030503404 /nfs/dbraw/zinc/50/34/04/1030503404.db2.gz GZRTYRKFHMXMJO-FJZAXULXSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447825978 1030503412 /nfs/dbraw/zinc/50/34/12/1030503412.db2.gz GZRTYRKFHMXMJO-FJZAXULXSA-N 1 2 327.827 3.808 20 0 EHADLO Cc1nc(N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc[nH+]1 ZINC000447808343 1030506810 /nfs/dbraw/zinc/50/68/10/1030506810.db2.gz WKEPDJMLFIZVCI-OAHLLOKOSA-N 1 2 347.260 3.628 20 0 EHADLO C[C@@H](C(=O)Nc1cccc(-c2cccs2)c1)[NH+]1CCSCC1 ZINC000343362446 1030516062 /nfs/dbraw/zinc/51/60/62/1030516062.db2.gz JGSLCTBWKKAXLV-ZDUSSCGKSA-N 1 2 332.494 3.791 20 0 EHADLO Cc1cccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000092822307 1030525638 /nfs/dbraw/zinc/52/56/38/1030525638.db2.gz QQNWCPWIOJSYCN-CQSZACIVSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000092822307 1030525651 /nfs/dbraw/zinc/52/56/51/1030525651.db2.gz QQNWCPWIOJSYCN-CQSZACIVSA-N 1 2 327.453 3.568 20 0 EHADLO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000066420812 1030549057 /nfs/dbraw/zinc/54/90/57/1030549057.db2.gz XLEWPOWBQIOIQW-ZDUSSCGKSA-N 1 2 340.414 3.539 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Sc2ccccc2)cc1 ZINC000093384675 1030597979 /nfs/dbraw/zinc/59/79/79/1030597979.db2.gz SSIDGRQZSOIXRC-OAHLLOKOSA-N 1 2 349.521 3.703 20 0 EHADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Sc2ccccc2)cc1 ZINC000093384675 1030597987 /nfs/dbraw/zinc/59/79/87/1030597987.db2.gz SSIDGRQZSOIXRC-OAHLLOKOSA-N 1 2 349.521 3.703 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2(C(C)C)CC2)c(C)c1 ZINC000583738015 1030603829 /nfs/dbraw/zinc/60/38/29/1030603829.db2.gz VEKVYPCNQAAUSI-SFHVURJKSA-N 1 2 340.471 3.729 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000093392964 1030605145 /nfs/dbraw/zinc/60/51/45/1030605145.db2.gz CSYKPNUIUNPBCD-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000093392964 1030605153 /nfs/dbraw/zinc/60/51/53/1030605153.db2.gz CSYKPNUIUNPBCD-AWEZNQCLSA-N 1 2 349.521 3.813 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc2[nH+]ccn21 ZINC000482672915 1030631163 /nfs/dbraw/zinc/63/11/63/1030631163.db2.gz QZYLNCLJZNTUNP-CYBMUJFWSA-N 1 2 329.787 3.784 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1ncccc1C(F)(F)F ZINC000093707147 1030665754 /nfs/dbraw/zinc/66/57/54/1030665754.db2.gz FKXOUPCNSJZWJC-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ncccc1C(F)(F)F ZINC000093707147 1030665769 /nfs/dbraw/zinc/66/57/69/1030665769.db2.gz FKXOUPCNSJZWJC-UHFFFAOYSA-N 1 2 328.334 3.650 20 0 EHADLO CCO[C@@H](C)c1nc(CN(C)Cc2c[nH+]c3c(C)cccn23)cs1 ZINC000093737465 1030667442 /nfs/dbraw/zinc/66/74/42/1030667442.db2.gz PUVVBSSZJVDILU-AWEZNQCLSA-N 1 2 344.484 3.829 20 0 EHADLO CN(Cc1ccccc1F)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000066560888 1030734780 /nfs/dbraw/zinc/73/47/80/1030734780.db2.gz IBDDBDCGMCIBII-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CN(Cc1ccccc1F)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000066560888 1030734786 /nfs/dbraw/zinc/73/47/86/1030734786.db2.gz IBDDBDCGMCIBII-UHFFFAOYSA-N 1 2 340.851 3.631 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)C2 ZINC000527248398 1030735590 /nfs/dbraw/zinc/73/55/90/1030735590.db2.gz GAYSZHOUHHUBQJ-INMHGKMJSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)CC2 ZINC000527248398 1030735601 /nfs/dbraw/zinc/73/56/01/1030735601.db2.gz GAYSZHOUHHUBQJ-INMHGKMJSA-N 1 2 329.488 3.723 20 0 EHADLO CCn1c[nH+]cc1CN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F ZINC000418113906 1030741597 /nfs/dbraw/zinc/74/15/97/1030741597.db2.gz KIMNDOZEYVNMTR-WDEREUQCSA-N 1 2 329.288 3.608 20 0 EHADLO OCC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC1CC1)c1ccco1 ZINC000482853078 1030752368 /nfs/dbraw/zinc/75/23/68/1030752368.db2.gz FSKWXTXZFCWZNU-INIZCTEOSA-N 1 2 335.831 3.935 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000171343733 1030754768 /nfs/dbraw/zinc/75/47/68/1030754768.db2.gz FADSAGGIHGLYFL-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000171343733 1030754772 /nfs/dbraw/zinc/75/47/72/1030754772.db2.gz FADSAGGIHGLYFL-CQSZACIVSA-N 1 2 335.407 3.865 20 0 EHADLO O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000115015709 1030808953 /nfs/dbraw/zinc/80/89/53/1030808953.db2.gz OLGXVMANMVTRTA-IBGZPJMESA-N 1 2 333.391 3.515 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000115162158 1030825205 /nfs/dbraw/zinc/82/52/05/1030825205.db2.gz WITVYDVXYQLWHV-UHFFFAOYSA-N 1 2 339.370 3.713 20 0 EHADLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096642967 1030850330 /nfs/dbraw/zinc/85/03/30/1030850330.db2.gz UAZWYGJDPUOYOT-OAHLLOKOSA-N 1 2 333.391 3.877 20 0 EHADLO CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000080537467 1030902742 /nfs/dbraw/zinc/90/27/42/1030902742.db2.gz LBQMJLDFHSBWSZ-GOSISDBHSA-N 1 2 343.471 3.966 20 0 EHADLO C[NH+](C)[C@@H](c1nc(Cc2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000583838585 1030905561 /nfs/dbraw/zinc/90/55/61/1030905561.db2.gz SHYHSROKNXYJKH-QGZVFWFLSA-N 1 2 329.350 3.590 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000448334517 1030970834 /nfs/dbraw/zinc/97/08/34/1030970834.db2.gz ISXQGTBHAXNOJQ-UTKZUKDTSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000448334517 1030970847 /nfs/dbraw/zinc/97/08/47/1030970847.db2.gz ISXQGTBHAXNOJQ-UTKZUKDTSA-N 1 2 333.435 3.834 20 0 EHADLO O=C(NCC1=CCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666957903 1030973854 /nfs/dbraw/zinc/97/38/54/1030973854.db2.gz IYZMLXOHNDSBJF-OALUTQOASA-N 1 2 336.439 3.521 20 0 EHADLO COCC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)Cc1cncs1 ZINC000448358473 1030981966 /nfs/dbraw/zinc/98/19/66/1030981966.db2.gz DQHAPUVGSVDBOX-UHFFFAOYSA-N 1 2 329.469 3.890 20 0 EHADLO COCC[N@@H+](Cc1cc2c(cc(C)cc2C)[nH]1)Cc1cncs1 ZINC000448358473 1030981985 /nfs/dbraw/zinc/98/19/85/1030981985.db2.gz DQHAPUVGSVDBOX-UHFFFAOYSA-N 1 2 329.469 3.890 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)o1 ZINC000131216396 1030986172 /nfs/dbraw/zinc/98/61/72/1030986172.db2.gz CAJMXVKEKUWGQJ-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)o1 ZINC000131216396 1030986185 /nfs/dbraw/zinc/98/61/85/1030986185.db2.gz CAJMXVKEKUWGQJ-KRWDZBQOSA-N 1 2 328.412 3.510 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370984 1031003909 /nfs/dbraw/zinc/00/39/09/1031003909.db2.gz LNAKVNLJTCFXMT-BFQNTYOBSA-N 1 2 347.352 3.613 20 0 EHADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000448370984 1031003927 /nfs/dbraw/zinc/00/39/27/1031003927.db2.gz LNAKVNLJTCFXMT-BFQNTYOBSA-N 1 2 347.352 3.613 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116171747 1031017461 /nfs/dbraw/zinc/01/74/61/1031017461.db2.gz IEVZUKMYODLDDP-STQMWFEESA-N 1 2 339.345 3.893 20 0 EHADLO COc1c(C)cc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1C ZINC000527618320 1031042023 /nfs/dbraw/zinc/04/20/23/1031042023.db2.gz IXFUOVCHSFEVSI-UHFFFAOYSA-N 1 2 325.456 3.784 20 0 EHADLO COc1c(C)cc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1C ZINC000527618320 1031042037 /nfs/dbraw/zinc/04/20/37/1031042037.db2.gz IXFUOVCHSFEVSI-UHFFFAOYSA-N 1 2 325.456 3.784 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527619206 1031042283 /nfs/dbraw/zinc/04/22/83/1031042283.db2.gz NWDOOLDLODNGAI-UHFFFAOYSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527619206 1031042303 /nfs/dbraw/zinc/04/23/03/1031042303.db2.gz NWDOOLDLODNGAI-UHFFFAOYSA-N 1 2 325.456 3.946 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000173145554 1031052756 /nfs/dbraw/zinc/05/27/56/1031052756.db2.gz UTFKPTWOGOSJDT-UGKGYDQZSA-N 1 2 349.478 3.684 20 0 EHADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000483330951 1031109008 /nfs/dbraw/zinc/10/90/08/1031109008.db2.gz NJAQSUZYMCOVRC-NOCBQHASSA-N 1 2 338.495 3.784 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000483330951 1031109023 /nfs/dbraw/zinc/10/90/23/1031109023.db2.gz NJAQSUZYMCOVRC-NOCBQHASSA-N 1 2 338.495 3.784 20 0 EHADLO Cc1cnc([C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)s1 ZINC000173615913 1031122195 /nfs/dbraw/zinc/12/21/95/1031122195.db2.gz MWDMTJVSFFSUNP-INIZCTEOSA-N 1 2 338.436 3.518 20 0 EHADLO COc1cnccc1[C@H](C)[NH2+]Cc1ccsc1Br ZINC000527696494 1031129973 /nfs/dbraw/zinc/12/99/73/1031129973.db2.gz KPMBWUSWKALXQE-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO CC1=C(C)C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000483378971 1031134833 /nfs/dbraw/zinc/13/48/33/1031134833.db2.gz FZVFSTYQPCYVPH-UHFFFAOYSA-N 1 2 333.482 3.852 20 0 EHADLO CC1=C(C)C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000483378971 1031134841 /nfs/dbraw/zinc/13/48/41/1031134841.db2.gz FZVFSTYQPCYVPH-UHFFFAOYSA-N 1 2 333.482 3.852 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cc(F)cc2c1OCOC2)c1nc(C)cs1 ZINC000173940144 1031135642 /nfs/dbraw/zinc/13/56/42/1031135642.db2.gz VOXDWIMSSQUYOH-QGZVFWFLSA-N 1 2 336.432 3.872 20 0 EHADLO C[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000173986494 1031140875 /nfs/dbraw/zinc/14/08/75/1031140875.db2.gz IOFAOPAKJDDKSU-GFCCVEGCSA-N 1 2 325.437 3.636 20 0 EHADLO C[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000173986494 1031140883 /nfs/dbraw/zinc/14/08/83/1031140883.db2.gz IOFAOPAKJDDKSU-GFCCVEGCSA-N 1 2 325.437 3.636 20 0 EHADLO Cc1cc(C[NH2+]Cc2ncc(Cl)cc2Br)cc(C)n1 ZINC000527718726 1031179661 /nfs/dbraw/zinc/17/96/61/1031179661.db2.gz FURIAOAIVNDVHM-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCCc2cccc(Cl)c2)c2cn[nH]n2)cc1 ZINC000551278364 1031188217 /nfs/dbraw/zinc/18/82/17/1031188217.db2.gz QDRPYOQOIRWBEX-GOSISDBHSA-N 1 2 344.821 3.909 20 0 EHADLO C[C@@H]1CCN(Cc2ccc(Cl)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000278512705 1031192310 /nfs/dbraw/zinc/19/23/10/1031192310.db2.gz BPGSFHKJCMJXBS-DGCLKSJQSA-N 1 2 325.243 3.668 20 0 EHADLO CCCCO[C@@H]1C[C@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1(C)C ZINC000551304504 1031208461 /nfs/dbraw/zinc/20/84/61/1031208461.db2.gz HJBITUIJTSZIPB-KSZLIROESA-N 1 2 346.450 3.607 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000483540251 1031212924 /nfs/dbraw/zinc/21/29/24/1031212924.db2.gz FHUMOLVWNUEPFW-CQSZACIVSA-N 1 2 329.387 3.840 20 0 EHADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000483540251 1031212940 /nfs/dbraw/zinc/21/29/40/1031212940.db2.gz FHUMOLVWNUEPFW-CQSZACIVSA-N 1 2 329.387 3.840 20 0 EHADLO Cc1cc(CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1F ZINC000477093227 1031245778 /nfs/dbraw/zinc/24/57/78/1031245778.db2.gz VXYWUIXJPBJZHO-HNNXBMFYSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1F ZINC000477093227 1031245796 /nfs/dbraw/zinc/24/57/96/1031245796.db2.gz VXYWUIXJPBJZHO-HNNXBMFYSA-N 1 2 343.446 3.744 20 0 EHADLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536172 1031286546 /nfs/dbraw/zinc/28/65/46/1031286546.db2.gz RNZLPFJJNBCLAO-PKOBYXMFSA-N 1 2 345.874 3.542 20 0 EHADLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H]3CCc4ccc(Cl)cc43)CCO2)n1 ZINC000343536172 1031286554 /nfs/dbraw/zinc/28/65/54/1031286554.db2.gz RNZLPFJJNBCLAO-PKOBYXMFSA-N 1 2 345.874 3.542 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1F ZINC000278543197 1031308998 /nfs/dbraw/zinc/30/89/98/1031308998.db2.gz UEEKUHCWFDKWCG-UHFFFAOYSA-N 1 2 334.338 3.990 20 0 EHADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(Cl)ncnc2N(C)C)c1 ZINC000278560481 1031380874 /nfs/dbraw/zinc/38/08/74/1031380874.db2.gz IHLLWIONJIMKJW-INIZCTEOSA-N 1 2 346.862 3.542 20 0 EHADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(Cl)ncnc2N(C)C)c1 ZINC000278560481 1031380884 /nfs/dbraw/zinc/38/08/84/1031380884.db2.gz IHLLWIONJIMKJW-INIZCTEOSA-N 1 2 346.862 3.542 20 0 EHADLO COc1ccc[nH+]c1NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000527924908 1031414416 /nfs/dbraw/zinc/41/44/16/1031414416.db2.gz IWTYHVWIVJKIBS-MRXNPFEDSA-N 1 2 328.412 3.569 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccoc1 ZINC000102409315 1031420555 /nfs/dbraw/zinc/42/05/55/1031420555.db2.gz RRWBDKPIQZRGJY-UHFFFAOYSA-N 1 2 342.317 3.639 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccoc1 ZINC000102409315 1031420563 /nfs/dbraw/zinc/42/05/63/1031420563.db2.gz RRWBDKPIQZRGJY-UHFFFAOYSA-N 1 2 342.317 3.639 20 0 EHADLO c1ccc2c(c1)cc[nH+]c2N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000527911227 1031442955 /nfs/dbraw/zinc/44/29/55/1031442955.db2.gz DQWWALPICUYVMN-SFHVURJKSA-N 1 2 326.440 3.789 20 0 EHADLO C[C@H](c1ccccn1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000177030619 1031476786 /nfs/dbraw/zinc/47/67/86/1031476786.db2.gz KTKBVWQQOTVAKC-OAHLLOKOSA-N 1 2 344.528 3.714 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc(NC(N)=O)cc1 ZINC000278589224 1031522101 /nfs/dbraw/zinc/52/21/01/1031522101.db2.gz GTNXFYBNENGARN-QMMMGPOBSA-N 1 2 344.362 3.503 20 0 EHADLO CC1(C)C[C@@H]([NH2+]Cc2nccn2C(F)F)c2ccc(F)cc2O1 ZINC000133295233 1031573986 /nfs/dbraw/zinc/57/39/86/1031573986.db2.gz PFOQNVOTPIEEOT-GFCCVEGCSA-N 1 2 325.334 3.809 20 0 EHADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000528009586 1031584643 /nfs/dbraw/zinc/58/46/43/1031584643.db2.gz WGYYUAIWPGCVGZ-KURKYZTESA-N 1 2 333.863 3.709 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000448759183 1031606726 /nfs/dbraw/zinc/60/67/26/1031606726.db2.gz MVMBFMHYMOPFAV-CABCVRRESA-N 1 2 341.480 3.653 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000448759183 1031606734 /nfs/dbraw/zinc/60/67/34/1031606734.db2.gz MVMBFMHYMOPFAV-CABCVRRESA-N 1 2 341.480 3.653 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ncccc2F)cc1NC(C)=O ZINC000528036029 1031616616 /nfs/dbraw/zinc/61/66/16/1031616616.db2.gz NJZCBSSYFXAHMN-RYUDHWBXSA-N 1 2 331.391 3.600 20 0 EHADLO Cc1csc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000448767913 1031624902 /nfs/dbraw/zinc/62/49/02/1031624902.db2.gz AYVGSJYXLFGQMT-UHFFFAOYSA-N 1 2 335.498 3.997 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178198593 1031641981 /nfs/dbraw/zinc/64/19/81/1031641981.db2.gz MIQUXWWDHYFFRV-UHFFFAOYSA-N 1 2 342.374 3.582 20 0 EHADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551806733 1031665794 /nfs/dbraw/zinc/66/57/94/1031665794.db2.gz ZIFWKZJCUHEIJY-GLQYFDAESA-N 1 2 329.362 3.883 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2ccc(F)cc2)CCCC1 ZINC000178357406 1031685644 /nfs/dbraw/zinc/68/56/44/1031685644.db2.gz XKVINUREXWZLJA-UHFFFAOYSA-N 1 2 337.398 3.602 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000347468038 1031687005 /nfs/dbraw/zinc/68/70/05/1031687005.db2.gz MTGUNQWLMSIPHR-MRXNPFEDSA-N 1 2 335.407 3.700 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178349484 1031687079 /nfs/dbraw/zinc/68/70/79/1031687079.db2.gz URIZTGUAVWEICT-INIZCTEOSA-N 1 2 325.437 3.521 20 0 EHADLO CC(C)COC[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccco1 ZINC000635467123 1031688108 /nfs/dbraw/zinc/68/81/08/1031688108.db2.gz ZZOAIRIAOMORKX-SJORKVTESA-N 1 2 347.459 3.593 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)n2)C1 ZINC000667017119 1031698645 /nfs/dbraw/zinc/69/86/45/1031698645.db2.gz ILEJCVRUFYKLQL-XOUADPBQSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)n2)C1 ZINC000667017119 1031698654 /nfs/dbraw/zinc/69/86/54/1031698654.db2.gz ILEJCVRUFYKLQL-XOUADPBQSA-N 1 2 333.501 3.750 20 0 EHADLO O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178804282 1031705974 /nfs/dbraw/zinc/70/59/74/1031705974.db2.gz UVQRPPPYJDKUKR-LBPRGKRZSA-N 1 2 338.436 3.571 20 0 EHADLO CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000565924188 1031715936 /nfs/dbraw/zinc/71/59/36/1031715936.db2.gz VCMYVNRRXJXSQX-MRXNPFEDSA-N 1 2 338.411 3.958 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2s1 ZINC000178815571 1031732292 /nfs/dbraw/zinc/73/22/92/1031732292.db2.gz ICJVYSWWMFHWEC-OCCSQVGLSA-N 1 2 325.437 3.538 20 0 EHADLO O=C(CCCC(=O)C1CC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000448837705 1031749294 /nfs/dbraw/zinc/74/92/94/1031749294.db2.gz UGASULDZYAEZAW-UHFFFAOYSA-N 1 2 331.803 3.614 20 0 EHADLO Cc1cc(NC(=O)c2c(C)ccc(Br)c2C)c(C)c[nH+]1 ZINC000551897951 1031759185 /nfs/dbraw/zinc/75/91/85/1031759185.db2.gz AQULAOTXELDCPE-UHFFFAOYSA-N 1 2 333.229 3.752 20 0 EHADLO CC(=O)Nc1ccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1 ZINC000923795781 1031765374 /nfs/dbraw/zinc/76/53/74/1031765374.db2.gz ARMKADAQOPAACK-INIZCTEOSA-N 1 2 339.399 3.527 20 0 EHADLO CCC[C@H]([NH2+]Cc1ccn(-c2ccc(OC)cc2)n1)c1ccccn1 ZINC000179470342 1031777074 /nfs/dbraw/zinc/77/70/74/1031777074.db2.gz YXHPTGBSZSOMGV-IBGZPJMESA-N 1 2 336.439 3.907 20 0 EHADLO Cc1noc(C23CC(C2)CN3c2cc[nH+]c3cc(F)c(Cl)cc32)n1 ZINC000528129769 1031781031 /nfs/dbraw/zinc/78/10/31/1031781031.db2.gz GRTDYNSTGLWIKB-UHFFFAOYSA-N 1 2 344.777 3.844 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4cscc4s3)n2)C1 ZINC000528155430 1031807891 /nfs/dbraw/zinc/80/78/91/1031807891.db2.gz JYYRTZVWHBLIOP-LLVKDONJSA-N 1 2 335.454 3.795 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4cscc4s3)n2)C1 ZINC000528155430 1031807899 /nfs/dbraw/zinc/80/78/99/1031807899.db2.gz JYYRTZVWHBLIOP-LLVKDONJSA-N 1 2 335.454 3.795 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1F ZINC000086232948 1031813133 /nfs/dbraw/zinc/81/31/33/1031813133.db2.gz SPHAQADAVVTEDQ-AWEZNQCLSA-N 1 2 330.403 3.569 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1F ZINC000086232948 1031813152 /nfs/dbraw/zinc/81/31/52/1031813152.db2.gz SPHAQADAVVTEDQ-AWEZNQCLSA-N 1 2 330.403 3.569 20 0 EHADLO COC(C)(C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000278648073 1031814088 /nfs/dbraw/zinc/81/40/88/1031814088.db2.gz ZYSIUFVAVVATKM-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO CCCCCCN(O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000904171998 1031821518 /nfs/dbraw/zinc/82/15/18/1031821518.db2.gz WUNWNJZAVULAPL-KRWDZBQOSA-N 1 2 344.459 3.685 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H](C)c1cnn(C)c1C ZINC000180399912 1031849685 /nfs/dbraw/zinc/84/96/85/1031849685.db2.gz GPBYFEOUXIYWEX-LBPRGKRZSA-N 1 2 338.411 3.627 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1Cl ZINC000180420409 1031852435 /nfs/dbraw/zinc/85/24/35/1031852435.db2.gz UXGUNZQRAADMAW-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1Cl ZINC000180420409 1031852454 /nfs/dbraw/zinc/85/24/54/1031852454.db2.gz UXGUNZQRAADMAW-KRWDZBQOSA-N 1 2 332.831 3.522 20 0 EHADLO c1cn(-c2ccccc2CNc2nccnc2-c2ccccc2)c[nH+]1 ZINC000685272815 1031853597 /nfs/dbraw/zinc/85/35/97/1031853597.db2.gz IHVDAOYPTDKHPJ-UHFFFAOYSA-N 1 2 327.391 3.941 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccc(CC(C)C)[nH]c4=O)no3)ccn12 ZINC000904228794 1031866395 /nfs/dbraw/zinc/86/63/95/1031866395.db2.gz ZOIPDHPUDZUCDL-UHFFFAOYSA-N 1 2 349.394 3.659 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000448914072 1031880757 /nfs/dbraw/zinc/88/07/57/1031880757.db2.gz XGDUPJPROYPDGC-SZVBFZGTSA-N 1 2 330.472 3.701 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](Cc2cccnc2)C2CCCC2)n1 ZINC000904264871 1031893050 /nfs/dbraw/zinc/89/30/50/1031893050.db2.gz BJYKLLVPTWHCBR-INIZCTEOSA-N 1 2 349.438 3.934 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(C(C)(C)COCc2ccccc2)n1 ZINC000904269103 1031895046 /nfs/dbraw/zinc/89/50/46/1031895046.db2.gz SWKCMZXTJMECMJ-UHFFFAOYSA-N 1 2 338.411 3.517 20 0 EHADLO CCOc1ccc(C[C@@H](C)c2nc(-c3c[nH+]c(N)cc3C)no2)cc1 ZINC000904268565 1031896083 /nfs/dbraw/zinc/89/60/83/1031896083.db2.gz VLQVXXJQTXWXBV-CYBMUJFWSA-N 1 2 338.411 3.767 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448928104 1031901679 /nfs/dbraw/zinc/90/16/79/1031901679.db2.gz KPZQVWBYCLISEE-QZTJIDSGSA-N 1 2 329.488 3.905 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000584212658 1031948152 /nfs/dbraw/zinc/94/81/52/1031948152.db2.gz ZDHAERBMZASCLW-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO Cc1cnccc1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000584212658 1031948161 /nfs/dbraw/zinc/94/81/61/1031948161.db2.gz ZDHAERBMZASCLW-QGZVFWFLSA-N 1 2 336.357 3.982 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Br)cc1 ZINC000181117246 1031950618 /nfs/dbraw/zinc/95/06/18/1031950618.db2.gz MESCWUMCOOHLOL-SNVBAGLBSA-N 1 2 348.200 3.943 20 0 EHADLO Cc1ccc(-c2nnc(NCc3ccc(-n4cc[nH+]c4)cc3)o2)s1 ZINC000195009024 1031953853 /nfs/dbraw/zinc/95/38/53/1031953853.db2.gz OQAYHUSOCWRNAE-UHFFFAOYSA-N 1 2 337.408 3.904 20 0 EHADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(O)cc2F)cc1 ZINC000181254572 1031960070 /nfs/dbraw/zinc/96/00/70/1031960070.db2.gz WMANIVLCFMIPKW-GFCCVEGCSA-N 1 2 339.370 3.516 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000151726392 1031968745 /nfs/dbraw/zinc/96/87/45/1031968745.db2.gz JWPDAWHUBJQWLQ-OAHLLOKOSA-N 1 2 339.483 3.795 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347488959 1031992137 /nfs/dbraw/zinc/99/21/37/1031992137.db2.gz RUHVHHKGNRDXIJ-ZBFHGGJFSA-N 1 2 345.874 3.658 20 0 EHADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347488954 1031992982 /nfs/dbraw/zinc/99/29/82/1031992982.db2.gz RUHVHHKGNRDXIJ-GOEBONIOSA-N 1 2 345.874 3.658 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477554 1031994080 /nfs/dbraw/zinc/99/40/80/1031994080.db2.gz XELJIPNFALEGHX-DLBZAZTESA-N 1 2 346.519 3.906 20 0 EHADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C2CC2)C1(C)C ZINC000181477554 1031994093 /nfs/dbraw/zinc/99/40/93/1031994093.db2.gz XELJIPNFALEGHX-DLBZAZTESA-N 1 2 346.519 3.906 20 0 EHADLO C[N@H+](Cc1ccncc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000449013889 1032025661 /nfs/dbraw/zinc/02/56/61/1032025661.db2.gz MZXAARVCLCNOAG-CVEARBPZSA-N 1 2 341.213 3.618 20 0 EHADLO C[N@@H+](Cc1ccncc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000449013889 1032025677 /nfs/dbraw/zinc/02/56/77/1032025677.db2.gz MZXAARVCLCNOAG-CVEARBPZSA-N 1 2 341.213 3.618 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000533892629 1032034357 /nfs/dbraw/zinc/03/43/57/1032034357.db2.gz UQKPSKRVWLSLFI-LPHOPBHVSA-N 1 2 340.471 3.942 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000533892627 1032035273 /nfs/dbraw/zinc/03/52/73/1032035273.db2.gz UQKPSKRVWLSLFI-APWZRJJASA-N 1 2 340.471 3.942 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1F ZINC000904436680 1032038618 /nfs/dbraw/zinc/03/86/18/1032038618.db2.gz KOXXLVGRPDRZJT-AWEZNQCLSA-N 1 2 343.402 3.511 20 0 EHADLO O=C(CCc1ccc2[nH]ccc2c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000181925918 1032042199 /nfs/dbraw/zinc/04/21/99/1032042199.db2.gz YZFKEFCDCUWAIS-UHFFFAOYSA-N 1 2 344.418 3.603 20 0 EHADLO CCc1nc(CN(C)Cc2c[nH+]c(C)n2-c2ccccc2)cs1 ZINC000536655669 1032046488 /nfs/dbraw/zinc/04/64/88/1032046488.db2.gz IJOQSWNPBCXKIS-UHFFFAOYSA-N 1 2 326.469 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ncccc1O)c1ccccc1 ZINC000685425924 1033315507 /nfs/dbraw/zinc/31/55/07/1033315507.db2.gz WBQXGVIKECXLOC-HXUWFJFHSA-N 1 2 344.418 3.553 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ncccc1O)c1ccccc1 ZINC000685425923 1033315855 /nfs/dbraw/zinc/31/58/55/1033315855.db2.gz WBQXGVIKECXLOC-FQEVSTJZSA-N 1 2 344.418 3.553 20 0 EHADLO c1cc([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)n[nH]1 ZINC000685438090 1033338600 /nfs/dbraw/zinc/33/86/00/1033338600.db2.gz INPIWQPTZFBVHW-INIZCTEOSA-N 1 2 325.441 3.655 20 0 EHADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)n[nH]1 ZINC000685438090 1033338606 /nfs/dbraw/zinc/33/86/06/1033338606.db2.gz INPIWQPTZFBVHW-INIZCTEOSA-N 1 2 325.441 3.655 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCn1cc[nH+]c1 ZINC000607878604 1033347381 /nfs/dbraw/zinc/34/73/81/1033347381.db2.gz WOVOCEOUJTZLNU-IBGZPJMESA-N 1 2 327.472 3.842 20 0 EHADLO Cc1c(CN(C)c2[nH+]ccc3cc(C(F)(F)F)ccc32)cnn1C ZINC000574720315 1033366574 /nfs/dbraw/zinc/36/65/74/1033366574.db2.gz HZAYRPLBNRSEBI-UHFFFAOYSA-N 1 2 334.345 3.932 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486419 1033367531 /nfs/dbraw/zinc/36/75/31/1033367531.db2.gz UMZHBCOCZNEUHE-UONOGXRCSA-N 1 2 340.562 3.704 20 0 EHADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc3n(c2=S)CCCCC3)C1 ZINC000173486419 1033367542 /nfs/dbraw/zinc/36/75/42/1033367542.db2.gz UMZHBCOCZNEUHE-UONOGXRCSA-N 1 2 340.562 3.704 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120115051 1033373420 /nfs/dbraw/zinc/37/34/20/1033373420.db2.gz RGHLHSGPCCCZRB-CABCVRRESA-N 1 2 347.890 3.685 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120115051 1033373434 /nfs/dbraw/zinc/37/34/34/1033373434.db2.gz RGHLHSGPCCCZRB-CABCVRRESA-N 1 2 347.890 3.685 20 0 EHADLO C[C@@H]1C[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000607870590 1033375365 /nfs/dbraw/zinc/37/53/65/1033375365.db2.gz GNRKFFTVAFWVMT-MZMPZRCHSA-N 1 2 331.847 3.830 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)CCS1 ZINC000173511035 1033387379 /nfs/dbraw/zinc/38/73/79/1033387379.db2.gz FYCLHQPVISNTHY-CQSZACIVSA-N 1 2 340.562 3.848 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2c(CCC3CCCC3)n[nH]c2=S)CCS1 ZINC000173511035 1033387392 /nfs/dbraw/zinc/38/73/92/1033387392.db2.gz FYCLHQPVISNTHY-CQSZACIVSA-N 1 2 340.562 3.848 20 0 EHADLO CCCc1nc(C[N@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)no1 ZINC000054990805 1033388575 /nfs/dbraw/zinc/38/85/75/1033388575.db2.gz ZCLHUFIJTVKTJO-CQSZACIVSA-N 1 2 329.444 3.831 20 0 EHADLO CCCc1nc(C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)no1 ZINC000054990805 1033388585 /nfs/dbraw/zinc/38/85/85/1033388585.db2.gz ZCLHUFIJTVKTJO-CQSZACIVSA-N 1 2 329.444 3.831 20 0 EHADLO COc1ccc(-c2cc(C[NH2+]Cc3nc4ccccc4n3C)on2)cc1 ZINC000685509858 1033395600 /nfs/dbraw/zinc/39/56/00/1033395600.db2.gz WCNCAPZIHCCFBM-UHFFFAOYSA-N 1 2 348.406 3.527 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cccc(Cl)n1)C[C@H]1CCCO1 ZINC000173522977 1033399504 /nfs/dbraw/zinc/39/95/04/1033399504.db2.gz ZYRWSRHIGSIGKC-QGZVFWFLSA-N 1 2 346.858 3.925 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cccc(Cl)n1)C[C@H]1CCCO1 ZINC000173522977 1033399521 /nfs/dbraw/zinc/39/95/21/1033399521.db2.gz ZYRWSRHIGSIGKC-QGZVFWFLSA-N 1 2 346.858 3.925 20 0 EHADLO CC1=Nc2ccccc2C12CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC000898248597 1033406231 /nfs/dbraw/zinc/40/62/31/1033406231.db2.gz OQEGECQIOPKGST-HNNXBMFYSA-N 1 2 336.439 3.501 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NCc1ccccc1Oc1cccc(F)c1 ZINC000594709905 1033498861 /nfs/dbraw/zinc/49/88/61/1033498861.db2.gz YMBBHWBWBZKSJI-UHFFFAOYSA-N 1 2 349.369 3.907 20 0 EHADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635620331 1033533194 /nfs/dbraw/zinc/53/31/94/1033533194.db2.gz VWXIJPDRDVAGOT-MGPQQGTHSA-N 1 2 331.382 3.804 20 0 EHADLO O=C(CCOc1ccccc1-c1ccccc1)N[C@H]1CCn2c[nH+]cc21 ZINC001168293080 1033542819 /nfs/dbraw/zinc/54/28/19/1033542819.db2.gz LINCLKOAMAUEAG-SFHVURJKSA-N 1 2 347.418 3.580 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000106240315 1033560243 /nfs/dbraw/zinc/56/02/43/1033560243.db2.gz JBOZFODOXVHUGL-UTUOFQBUSA-N 1 2 337.876 3.713 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCCn3cc[nH+]c3)c(F)c2)cc1C ZINC000107091479 1033625511 /nfs/dbraw/zinc/62/55/11/1033625511.db2.gz WRBYGANMLPAWPI-UHFFFAOYSA-N 1 2 337.398 3.736 20 0 EHADLO CCC[C@H](CC)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608415138 1033672511 /nfs/dbraw/zinc/67/25/11/1033672511.db2.gz UUICYMKAZHFSSV-IRXDYDNUSA-N 1 2 328.460 3.582 20 0 EHADLO CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685651420 1033680751 /nfs/dbraw/zinc/68/07/51/1033680751.db2.gz NDXVPHMTZVYKKO-UHFFFAOYSA-N 1 2 338.411 3.787 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000475663991 1033694025 /nfs/dbraw/zinc/69/40/25/1033694025.db2.gz ZWLPHORELVCMTK-UONOGXRCSA-N 1 2 349.425 3.954 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000063790392 1033701331 /nfs/dbraw/zinc/70/13/31/1033701331.db2.gz BAIICAKMEIKTEE-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccsc2)CC1 ZINC000603493104 1033705353 /nfs/dbraw/zinc/70/53/53/1033705353.db2.gz VUGUILYXAVGVHX-UHFFFAOYSA-N 1 2 327.428 3.758 20 0 EHADLO Cc1ccc(CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046019707 1033712167 /nfs/dbraw/zinc/71/21/67/1033712167.db2.gz WPDVSTLXUFPNRS-UHFFFAOYSA-N 1 2 348.450 3.581 20 0 EHADLO COCC1([N@H+](C)Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000761101223 1033717448 /nfs/dbraw/zinc/71/74/48/1033717448.db2.gz LHRUYLCXSUXOKJ-UHFFFAOYSA-N 1 2 333.863 3.504 20 0 EHADLO COCC1([N@@H+](C)Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000761101223 1033717467 /nfs/dbraw/zinc/71/74/67/1033717467.db2.gz LHRUYLCXSUXOKJ-UHFFFAOYSA-N 1 2 333.863 3.504 20 0 EHADLO COc1cc(C[NH2+]Cc2ccc(Cl)o2)c(Br)cc1O ZINC000603509957 1033717671 /nfs/dbraw/zinc/71/76/71/1033717671.db2.gz OZSLIZBYGWBRTH-UHFFFAOYSA-N 1 2 346.608 3.700 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C4(C)CC4)CC3)n2)C1 ZINC000574959058 1033744141 /nfs/dbraw/zinc/74/41/41/1033744141.db2.gz KUZWILBAZQOOBY-ZDUSSCGKSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C4(C)CC4)CC3)n2)C1 ZINC000574959058 1033744156 /nfs/dbraw/zinc/74/41/56/1033744156.db2.gz KUZWILBAZQOOBY-ZDUSSCGKSA-N 1 2 348.516 3.829 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081315979 1033748223 /nfs/dbraw/zinc/74/82/23/1033748223.db2.gz KHAYMABFVWXTJL-YLJYHZDGSA-N 1 2 347.462 3.699 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000136177057 1033761395 /nfs/dbraw/zinc/76/13/95/1033761395.db2.gz DIZQOTWJWBZWIM-WOJBJXKFSA-N 1 2 345.446 3.957 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](OC)C2CCCCC2)n1 ZINC000595351595 1033775229 /nfs/dbraw/zinc/77/52/29/1033775229.db2.gz MDVVDTVLFLGAQM-ZFWWWQNUSA-N 1 2 341.521 3.911 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](OC)C2CCCCC2)n1 ZINC000595351595 1033775246 /nfs/dbraw/zinc/77/52/46/1033775246.db2.gz MDVVDTVLFLGAQM-ZFWWWQNUSA-N 1 2 341.521 3.911 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000063858710 1033791627 /nfs/dbraw/zinc/79/16/27/1033791627.db2.gz SBXAFTWNUBQSPN-AWEZNQCLSA-N 1 2 332.473 3.938 20 0 EHADLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000063858710 1033791637 /nfs/dbraw/zinc/79/16/37/1033791637.db2.gz SBXAFTWNUBQSPN-AWEZNQCLSA-N 1 2 332.473 3.938 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC3CCCCC3)CC2)cc1 ZINC000174193631 1033801600 /nfs/dbraw/zinc/80/16/00/1033801600.db2.gz UFOLJADNHCQPHA-UHFFFAOYSA-N 1 2 343.515 3.808 20 0 EHADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000599301601 1033863542 /nfs/dbraw/zinc/86/35/42/1033863542.db2.gz RZDIBOUAPGGPKH-HNNXBMFYSA-N 1 2 349.887 3.810 20 0 EHADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000599301601 1033863547 /nfs/dbraw/zinc/86/35/47/1033863547.db2.gz RZDIBOUAPGGPKH-HNNXBMFYSA-N 1 2 349.887 3.810 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000450226761 1033911144 /nfs/dbraw/zinc/91/11/44/1033911144.db2.gz GVVOJXDXCMINBQ-UHFFFAOYSA-N 1 2 329.465 3.645 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000450226761 1033911155 /nfs/dbraw/zinc/91/11/55/1033911155.db2.gz GVVOJXDXCMINBQ-UHFFFAOYSA-N 1 2 329.465 3.645 20 0 EHADLO CCc1nocc1C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612715 1033924549 /nfs/dbraw/zinc/92/45/49/1033924549.db2.gz SYAFHZARYYBETB-QGZVFWFLSA-N 1 2 342.439 3.678 20 0 EHADLO CCc1nocc1C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612715 1033924560 /nfs/dbraw/zinc/92/45/60/1033924560.db2.gz SYAFHZARYYBETB-QGZVFWFLSA-N 1 2 342.439 3.678 20 0 EHADLO CN(Cc1c(F)cccc1Cl)c1cc(N2CCCCC2)[nH+]cn1 ZINC000599440931 1033927390 /nfs/dbraw/zinc/92/73/90/1033927390.db2.gz AWZSEXPGQNMGPU-UHFFFAOYSA-N 1 2 334.826 3.896 20 0 EHADLO CN(Cc1c(F)cccc1Cl)c1cc(N2CCCCC2)nc[nH+]1 ZINC000599440931 1033927395 /nfs/dbraw/zinc/92/73/95/1033927395.db2.gz AWZSEXPGQNMGPU-UHFFFAOYSA-N 1 2 334.826 3.896 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)nc1 ZINC000599533413 1033994896 /nfs/dbraw/zinc/99/48/96/1033994896.db2.gz MZHXBZJSWYNRBP-UHFFFAOYSA-N 1 2 341.436 3.503 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000603885054 1034009170 /nfs/dbraw/zinc/00/91/70/1034009170.db2.gz ONFRSWFRYWDIQP-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000658160209 1034018117 /nfs/dbraw/zinc/01/81/17/1034018117.db2.gz WOVGBYVOTIDSLX-KKVAFCGZSA-N 1 2 342.487 3.917 20 0 EHADLO CCOC(=O)c1csc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)n1 ZINC000595910218 1034026404 /nfs/dbraw/zinc/02/64/04/1034026404.db2.gz RRIKUBPIPICPCF-SFHVURJKSA-N 1 2 330.453 3.735 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869238 1034033240 /nfs/dbraw/zinc/03/32/40/1034033240.db2.gz CANUOEZCKVSFBC-ROUUACIJSA-N 1 2 340.471 3.678 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599594446 1034035423 /nfs/dbraw/zinc/03/54/23/1034035423.db2.gz HCCYVPYZZGKWGU-UKRRQHHQSA-N 1 2 346.427 3.734 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599594446 1034035433 /nfs/dbraw/zinc/03/54/33/1034035433.db2.gz HCCYVPYZZGKWGU-UKRRQHHQSA-N 1 2 346.427 3.734 20 0 EHADLO COc1cccc(C[N@@H+](Cc2cccnc2Cl)C[C@H]2CCCO2)c1 ZINC000171079901 1034039501 /nfs/dbraw/zinc/03/95/01/1034039501.db2.gz LGFMBMRMAWWAKL-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO COc1cccc(C[N@H+](Cc2cccnc2Cl)C[C@H]2CCCO2)c1 ZINC000171079901 1034039516 /nfs/dbraw/zinc/03/95/16/1034039516.db2.gz LGFMBMRMAWWAKL-GOSISDBHSA-N 1 2 346.858 3.925 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026330 1034059622 /nfs/dbraw/zinc/05/96/22/1034059622.db2.gz XBABLXVQQKZDKJ-QZTJIDSGSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026330 1034059638 /nfs/dbraw/zinc/05/96/38/1034059638.db2.gz XBABLXVQQKZDKJ-QZTJIDSGSA-N 1 2 348.437 3.797 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000596065698 1034066986 /nfs/dbraw/zinc/06/69/86/1034066986.db2.gz JNWWLTMMQCTTCI-UHFFFAOYSA-N 1 2 349.434 3.662 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCc2c1cccc2Cl ZINC000056902555 1034074365 /nfs/dbraw/zinc/07/43/65/1034074365.db2.gz OQSWQIXKEGRNGK-MRXNPFEDSA-N 1 2 344.846 3.524 20 0 EHADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000421746014 1034083594 /nfs/dbraw/zinc/08/35/94/1034083594.db2.gz ZWUXIUOAJXKCKY-IUODEOHRSA-N 1 2 336.838 3.532 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529527784 1034108145 /nfs/dbraw/zinc/10/81/45/1034108145.db2.gz DVSLUQOKFJEQEW-GFCCVEGCSA-N 1 2 344.833 3.747 20 0 EHADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529527784 1034108148 /nfs/dbraw/zinc/10/81/48/1034108148.db2.gz DVSLUQOKFJEQEW-GFCCVEGCSA-N 1 2 344.833 3.747 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000529525590 1034134543 /nfs/dbraw/zinc/13/45/43/1034134543.db2.gz XSVQZKIKGNHHOK-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)n1 ZINC000529525590 1034134546 /nfs/dbraw/zinc/13/45/46/1034134546.db2.gz XSVQZKIKGNHHOK-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596278265 1034139796 /nfs/dbraw/zinc/13/97/96/1034139796.db2.gz NZRRUUHVAPSZPR-UONOGXRCSA-N 1 2 341.455 3.621 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000635721619 1034151233 /nfs/dbraw/zinc/15/12/33/1034151233.db2.gz CENWUCCGGRFDOI-IPMKNSEASA-N 1 2 337.467 3.775 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000635721619 1034151237 /nfs/dbraw/zinc/15/12/37/1034151237.db2.gz CENWUCCGGRFDOI-IPMKNSEASA-N 1 2 337.467 3.775 20 0 EHADLO FC(F)(F)c1csc(CN2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000534129949 1034169770 /nfs/dbraw/zinc/16/97/70/1034169770.db2.gz ZVMRKAPVPSWIMT-UHFFFAOYSA-N 1 2 342.390 3.633 20 0 EHADLO CCc1ccc([C@H](C)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119517097 1034176668 /nfs/dbraw/zinc/17/66/68/1034176668.db2.gz IEINFJFMINSNKN-WMZOPIPTSA-N 1 2 339.483 3.567 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[S@@](=O)[C@@H](C)C3)cc2)c1 ZINC000537618790 1034190529 /nfs/dbraw/zinc/19/05/29/1034190529.db2.gz LNDVPNPOIMNIJT-GAJHUEQPSA-N 1 2 327.493 3.923 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[S@@](=O)[C@@H](C)C3)cc2)c1 ZINC000537618790 1034190541 /nfs/dbraw/zinc/19/05/41/1034190541.db2.gz LNDVPNPOIMNIJT-GAJHUEQPSA-N 1 2 327.493 3.923 20 0 EHADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000450356141 1034193280 /nfs/dbraw/zinc/19/32/80/1034193280.db2.gz GBTIRFRBJWZBIN-CYBMUJFWSA-N 1 2 334.851 3.730 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529566186 1034218509 /nfs/dbraw/zinc/21/85/09/1034218509.db2.gz KUISVLDWFTUROK-HNNXBMFYSA-N 1 2 338.224 3.961 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529566186 1034218520 /nfs/dbraw/zinc/21/85/20/1034218520.db2.gz KUISVLDWFTUROK-HNNXBMFYSA-N 1 2 338.224 3.961 20 0 EHADLO C[C@@H](c1csnn1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000450392489 1034229735 /nfs/dbraw/zinc/22/97/35/1034229735.db2.gz OLXDZCRBJMUVKY-JTQLQIEISA-N 1 2 326.263 3.536 20 0 EHADLO C[C@@H](c1csnn1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000450392489 1034229748 /nfs/dbraw/zinc/22/97/48/1034229748.db2.gz OLXDZCRBJMUVKY-JTQLQIEISA-N 1 2 326.263 3.536 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000529594568 1034236686 /nfs/dbraw/zinc/23/66/86/1034236686.db2.gz LMKXFBDCFAETIT-CYBMUJFWSA-N 1 2 347.684 3.744 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000529594568 1034236693 /nfs/dbraw/zinc/23/66/93/1034236693.db2.gz LMKXFBDCFAETIT-CYBMUJFWSA-N 1 2 347.684 3.744 20 0 EHADLO C[C@H](c1ccc(C[N@@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416902 1034304785 /nfs/dbraw/zinc/30/47/85/1034304785.db2.gz BEFBLYIWCNQDIM-ZBUFRBDWSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@H](c1ccc(C[N@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)cc1)C(F)(F)F ZINC000450416902 1034304792 /nfs/dbraw/zinc/30/47/92/1034304792.db2.gz BEFBLYIWCNQDIM-ZBUFRBDWSA-N 1 2 333.419 3.694 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccnc(Cl)c1 ZINC000060290165 1034348299 /nfs/dbraw/zinc/34/82/99/1034348299.db2.gz HXHXNARPNVXDCU-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c(C)c[nH+]1 ZINC000534299277 1034355782 /nfs/dbraw/zinc/35/57/82/1034355782.db2.gz MEAGLJWJNJWVNR-UHFFFAOYSA-N 1 2 336.395 3.546 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000302812860 1034366540 /nfs/dbraw/zinc/36/65/40/1034366540.db2.gz OBHWDSQGJUKOQA-YPMHNXCESA-N 1 2 335.860 3.961 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H]1c1cccs1 ZINC000302812860 1034366555 /nfs/dbraw/zinc/36/65/55/1034366555.db2.gz OBHWDSQGJUKOQA-YPMHNXCESA-N 1 2 335.860 3.961 20 0 EHADLO c1sc(COc2ccccc2)nc1C[NH+]1CC(C2CCOCC2)C1 ZINC000669715275 1034367427 /nfs/dbraw/zinc/36/74/27/1034367427.db2.gz AGPATQLCRXKUSP-UHFFFAOYSA-N 1 2 344.480 3.581 20 0 EHADLO CCN(CC)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000310367572 1034420568 /nfs/dbraw/zinc/42/05/68/1034420568.db2.gz NNUJHQPYYKPNLU-UHFFFAOYSA-N 1 2 348.491 3.739 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccnc1-c1ccccc1 ZINC000534375786 1034447786 /nfs/dbraw/zinc/44/77/86/1034447786.db2.gz MCWXKFQYKHLSSS-UHFFFAOYSA-N 1 2 335.411 3.547 20 0 EHADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601318265 1034449918 /nfs/dbraw/zinc/44/99/18/1034449918.db2.gz LVSKKZOICYIUTJ-DYVFJYSZSA-N 1 2 349.377 3.739 20 0 EHADLO CN(C)c1nc(N2CCC(CC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000450515429 1034453804 /nfs/dbraw/zinc/45/38/04/1034453804.db2.gz HMOIGBZJOGXSKS-UHFFFAOYSA-N 1 2 338.377 3.865 20 0 EHADLO CC1CCC([N@H+](C)Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000171558992 1034456586 /nfs/dbraw/zinc/45/65/86/1034456586.db2.gz MJRXMZOTKWRXLM-UHFFFAOYSA-N 1 2 345.516 3.520 20 0 EHADLO CC1CCC([N@@H+](C)Cn2ncn(CCc3ccccn3)c2=S)CC1 ZINC000171558992 1034456598 /nfs/dbraw/zinc/45/65/98/1034456598.db2.gz MJRXMZOTKWRXLM-UHFFFAOYSA-N 1 2 345.516 3.520 20 0 EHADLO Cc1c(F)c(F)ccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000636028960 1034456870 /nfs/dbraw/zinc/45/68/70/1034456870.db2.gz HKADLPHZTGZAIW-LLVKDONJSA-N 1 2 333.260 3.602 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121139234 1034471742 /nfs/dbraw/zinc/47/17/42/1034471742.db2.gz KKOITPSRLNGCSZ-WMZOPIPTSA-N 1 2 342.464 3.632 20 0 EHADLO CC(C)c1nnc(CCNc2[nH+]cnc3[nH]c4ccccc4c32)s1 ZINC000450536940 1034510955 /nfs/dbraw/zinc/51/09/55/1034510955.db2.gz BHCWDFVLRPMMNH-UHFFFAOYSA-N 1 2 338.440 3.741 20 0 EHADLO Fc1ccc(NC(=S)NCCCNc2cccc[nH+]2)cc1Cl ZINC000060433716 1034517518 /nfs/dbraw/zinc/51/75/18/1034517518.db2.gz OTWSUUBMOAFZEH-UHFFFAOYSA-N 1 2 338.839 3.663 20 0 EHADLO COc1cccc([C@@H](CNCc2nc(C)c(C)s2)[NH+]2CCCC2)c1 ZINC000892475053 1034550631 /nfs/dbraw/zinc/55/06/31/1034550631.db2.gz DBCFLRWLYJKXSJ-GOSISDBHSA-N 1 2 345.512 3.695 20 0 EHADLO Cc1cc(Cl)cc2nc(SCCC[NH+]3CCOCC3)oc21 ZINC000604933897 1034554799 /nfs/dbraw/zinc/55/47/99/1034554799.db2.gz YBPZLBMPADQIHV-UHFFFAOYSA-N 1 2 326.849 3.604 20 0 EHADLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)s1 ZINC000343812551 1034567953 /nfs/dbraw/zinc/56/79/53/1034567953.db2.gz KRDXKDHMCHZJGV-VIFPVBQESA-N 1 2 343.399 3.561 20 0 EHADLO COc1ccc(CN(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000413605779 1034583942 /nfs/dbraw/zinc/58/39/42/1034583942.db2.gz OPFPWBIIIOFMCE-UHFFFAOYSA-N 1 2 347.846 3.702 20 0 EHADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000647458812 1034596973 /nfs/dbraw/zinc/59/69/73/1034596973.db2.gz MIGZDXHGYGZJRX-OAHLLOKOSA-N 1 2 343.496 3.593 20 0 EHADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000647458812 1034596982 /nfs/dbraw/zinc/59/69/82/1034596982.db2.gz MIGZDXHGYGZJRX-OAHLLOKOSA-N 1 2 343.496 3.593 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)[C@@H]1C ZINC000605155562 1034653802 /nfs/dbraw/zinc/65/38/02/1034653802.db2.gz UXAKELFZCVNYIT-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)[C@@H]1C ZINC000605155562 1034653803 /nfs/dbraw/zinc/65/38/03/1034653803.db2.gz UXAKELFZCVNYIT-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156559 1034654023 /nfs/dbraw/zinc/65/40/23/1034654023.db2.gz ZJOBWUYUCDSYTF-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156559 1034654028 /nfs/dbraw/zinc/65/40/28/1034654028.db2.gz ZJOBWUYUCDSYTF-LJQANCHMSA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156558 1034654132 /nfs/dbraw/zinc/65/41/32/1034654132.db2.gz ZJOBWUYUCDSYTF-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156558 1034654137 /nfs/dbraw/zinc/65/41/37/1034654137.db2.gz ZJOBWUYUCDSYTF-IBGZPJMESA-N 1 2 340.492 3.978 20 0 EHADLO CC(C)(CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000605280226 1034687238 /nfs/dbraw/zinc/68/72/38/1034687238.db2.gz AMUKAANBLWEZLV-UHFFFAOYSA-N 1 2 337.398 3.719 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000089649311 1034695306 /nfs/dbraw/zinc/69/53/06/1034695306.db2.gz RXLLEJSGBMSNEE-KRWDZBQOSA-N 1 2 346.500 3.936 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000089649311 1034695312 /nfs/dbraw/zinc/69/53/12/1034695312.db2.gz RXLLEJSGBMSNEE-KRWDZBQOSA-N 1 2 346.500 3.936 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529943019 1034803818 /nfs/dbraw/zinc/80/38/18/1034803818.db2.gz KALJDQLMFWRWFC-CXAGYDPISA-N 1 2 329.419 3.522 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529943019 1034803827 /nfs/dbraw/zinc/80/38/27/1034803827.db2.gz KALJDQLMFWRWFC-CXAGYDPISA-N 1 2 329.419 3.522 20 0 EHADLO Cc1cc(Cl)ccc1C1=CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000529942304 1034805263 /nfs/dbraw/zinc/80/52/63/1034805263.db2.gz ZCIIYMOCRJUCGJ-UHFFFAOYSA-N 1 2 343.858 3.941 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000601905326 1034809987 /nfs/dbraw/zinc/80/99/87/1034809987.db2.gz PFIXJLHJOIMROE-PKOBYXMFSA-N 1 2 340.471 3.935 20 0 EHADLO Cc1oc(C)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000669727938 1034830704 /nfs/dbraw/zinc/83/07/04/1034830704.db2.gz JONPHNMELNIGJQ-INIZCTEOSA-N 1 2 341.455 3.757 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1cccc(Cl)c1O)c1cccc(Cl)c1 ZINC000605888006 1034837347 /nfs/dbraw/zinc/83/73/47/1034837347.db2.gz BCVFCAZFILODLI-CQSZACIVSA-N 1 2 339.222 3.940 20 0 EHADLO Cc1noc(C2CC2)c1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000349983316 1034843181 /nfs/dbraw/zinc/84/31/81/1034843181.db2.gz UWOCVALUOFEODV-UHFFFAOYSA-N 1 2 347.378 3.822 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000569891448 1034848621 /nfs/dbraw/zinc/84/86/21/1034848621.db2.gz LSCXLASWUHIDTJ-JCNLHEQBSA-N 1 2 346.862 3.562 20 0 EHADLO C[C@H](c1ccc(C[N@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450850026 1034863132 /nfs/dbraw/zinc/86/31/32/1034863132.db2.gz ZSOYIMXUOLCFEQ-SKKLXFKPSA-N 1 2 333.419 3.694 20 0 EHADLO C[C@H](c1ccc(C[N@@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450850026 1034863140 /nfs/dbraw/zinc/86/31/40/1034863140.db2.gz ZSOYIMXUOLCFEQ-SKKLXFKPSA-N 1 2 333.419 3.694 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000450871414 1034888761 /nfs/dbraw/zinc/88/87/61/1034888761.db2.gz BGVASGMNQXZXMZ-CQSZACIVSA-N 1 2 347.768 3.576 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472430742 1034936782 /nfs/dbraw/zinc/93/67/82/1034936782.db2.gz ZQXURGUWOZUHDQ-CHWSQXEVSA-N 1 2 348.796 3.632 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472430742 1034936793 /nfs/dbraw/zinc/93/67/93/1034936793.db2.gz ZQXURGUWOZUHDQ-CHWSQXEVSA-N 1 2 348.796 3.632 20 0 EHADLO C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375930738 1034944685 /nfs/dbraw/zinc/94/46/85/1034944685.db2.gz JAMKLNPDXSXNHW-OAHLLOKOSA-N 1 2 343.446 3.586 20 0 EHADLO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000375930460 1034945844 /nfs/dbraw/zinc/94/58/44/1034945844.db2.gz GCXNVRLNFWKZBQ-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000375930460 1034945855 /nfs/dbraw/zinc/94/58/55/1034945855.db2.gz GCXNVRLNFWKZBQ-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000375930460 1034945865 /nfs/dbraw/zinc/94/58/65/1034945865.db2.gz GCXNVRLNFWKZBQ-UHFFFAOYSA-N 1 2 339.361 3.750 20 0 EHADLO CC[C@H]1C[C@]1([NH2+]Cc1nc(C(=O)OC)cs1)c1cccc(C)c1 ZINC000450924928 1034949548 /nfs/dbraw/zinc/94/95/48/1034949548.db2.gz WEEACYDXDKSSCO-SCLBCKFNSA-N 1 2 330.453 3.653 20 0 EHADLO Fc1cccc(C2CC[NH+](Cc3nnc4n3CCCCC4)CC2)c1F ZINC000569984864 1034950446 /nfs/dbraw/zinc/95/04/46/1034950446.db2.gz KXRPREPKEKFQQV-UHFFFAOYSA-N 1 2 346.425 3.662 20 0 EHADLO COC(=O)c1csc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1 ZINC000450928611 1034954018 /nfs/dbraw/zinc/95/40/18/1034954018.db2.gz SBIMSACAIDIDFS-QFYYESIMSA-N 1 2 336.844 3.608 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CCC(C)=C(c4ccco4)C3)no2)c1 ZINC000450928872 1034954044 /nfs/dbraw/zinc/95/40/44/1034954044.db2.gz BMIULYWYNKVOLT-UHFFFAOYSA-N 1 2 336.395 3.712 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CCC(C)=C(c4ccco4)C3)no2)c1 ZINC000450928872 1034954052 /nfs/dbraw/zinc/95/40/52/1034954052.db2.gz BMIULYWYNKVOLT-UHFFFAOYSA-N 1 2 336.395 3.712 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccn2)C2CC2)ncc1Br ZINC000628280693 1034963887 /nfs/dbraw/zinc/96/38/87/1034963887.db2.gz CJBKAJMXJVOWSU-UHFFFAOYSA-N 1 2 332.245 3.712 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccn2)C2CC2)ncc1Br ZINC000628280693 1034963894 /nfs/dbraw/zinc/96/38/94/1034963894.db2.gz CJBKAJMXJVOWSU-UHFFFAOYSA-N 1 2 332.245 3.712 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092368949 1034967280 /nfs/dbraw/zinc/96/72/80/1034967280.db2.gz AJTIMCOCIHGKEF-UHFFFAOYSA-N 1 2 325.437 3.894 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C)c(C)[nH]2)[C@H](C)C2CC2)c(OC)c1 ZINC000628264635 1034984962 /nfs/dbraw/zinc/98/49/62/1034984962.db2.gz VWBFKOHBPAGWOW-OAHLLOKOSA-N 1 2 343.471 3.844 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C)c(C)[nH]2)[C@H](C)C2CC2)c(OC)c1 ZINC000628264635 1034984966 /nfs/dbraw/zinc/98/49/66/1034984966.db2.gz VWBFKOHBPAGWOW-OAHLLOKOSA-N 1 2 343.471 3.844 20 0 EHADLO COc1ccc(CN(Cc2[nH]c(C)c(C)[nH+]2)[C@H](C)C2CC2)c(OC)c1 ZINC000628264635 1034984972 /nfs/dbraw/zinc/98/49/72/1034984972.db2.gz VWBFKOHBPAGWOW-OAHLLOKOSA-N 1 2 343.471 3.844 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@@H+]2CCCC(=O)c2ccc(F)cc2)n1 ZINC000450993298 1035003819 /nfs/dbraw/zinc/00/38/19/1035003819.db2.gz UWFVVAUERSRCAM-INIZCTEOSA-N 1 2 331.391 3.707 20 0 EHADLO Cc1noc([C@@H]2CCCC[N@H+]2CCCC(=O)c2ccc(F)cc2)n1 ZINC000450993298 1035003831 /nfs/dbraw/zinc/00/38/31/1035003831.db2.gz UWFVVAUERSRCAM-INIZCTEOSA-N 1 2 331.391 3.707 20 0 EHADLO COc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1Cl ZINC000451036949 1035037917 /nfs/dbraw/zinc/03/79/17/1035037917.db2.gz NHDMPMYGMZGBIU-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO COc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1Cl ZINC000451036949 1035037925 /nfs/dbraw/zinc/03/79/25/1035037925.db2.gz NHDMPMYGMZGBIU-UHFFFAOYSA-N 1 2 331.799 3.722 20 0 EHADLO Cc1cc(N(C)CCCCO)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000472446111 1035091654 /nfs/dbraw/zinc/09/16/54/1035091654.db2.gz ZNVQTPBGXZTDKB-UHFFFAOYSA-N 1 2 328.334 3.651 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000612669082 1035152595 /nfs/dbraw/zinc/15/25/95/1035152595.db2.gz UYJZIWAWKIHMFR-HUUCEWRRSA-N 1 2 343.402 3.623 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376069646 1035211674 /nfs/dbraw/zinc/21/16/74/1035211674.db2.gz RASZPTJIFVZYIV-HOTGVXAUSA-N 1 2 331.504 3.923 20 0 EHADLO CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376069646 1035211677 /nfs/dbraw/zinc/21/16/77/1035211677.db2.gz RASZPTJIFVZYIV-HOTGVXAUSA-N 1 2 331.504 3.923 20 0 EHADLO CCc1nc(C)c(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)s1 ZINC000584501637 1035245657 /nfs/dbraw/zinc/24/56/57/1035245657.db2.gz MPYOMSAWYFACRZ-UHFFFAOYSA-N 1 2 339.424 3.611 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000066155424 1035267309 /nfs/dbraw/zinc/26/73/09/1035267309.db2.gz VQRSBPXFXCHFRJ-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000066155424 1035267314 /nfs/dbraw/zinc/26/73/14/1035267314.db2.gz VQRSBPXFXCHFRJ-UHFFFAOYSA-N 1 2 347.768 3.913 20 0 EHADLO Cc1ncc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000628337453 1035349484 /nfs/dbraw/zinc/34/94/84/1035349484.db2.gz GMWBNAAJRHYRDH-UHFFFAOYSA-N 1 2 326.227 3.612 20 0 EHADLO CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161652232 1035354854 /nfs/dbraw/zinc/35/48/54/1035354854.db2.gz MILUZQZSFLGSRT-SFHVURJKSA-N 1 2 339.483 3.611 20 0 EHADLO Cc1[nH]c(CN2CC(Oc3cccc(Cl)c3Cl)C2)[nH+]c1C ZINC000628337518 1035359217 /nfs/dbraw/zinc/35/92/17/1035359217.db2.gz ISCBCTVAJZQHTN-UHFFFAOYSA-N 1 2 326.227 3.597 20 0 EHADLO C[N@H+](Cc1ccnn1-c1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000448334289 1035375152 /nfs/dbraw/zinc/37/51/52/1035375152.db2.gz HITQAJPPZNBTLV-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+](Cc1ccnn1-c1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000448334289 1035375155 /nfs/dbraw/zinc/37/51/55/1035375155.db2.gz HITQAJPPZNBTLV-UHFFFAOYSA-N 1 2 331.341 3.922 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000431735618 1035396252 /nfs/dbraw/zinc/39/62/52/1035396252.db2.gz KAGZFDBUWNEPOY-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000431735618 1035396256 /nfs/dbraw/zinc/39/62/56/1035396256.db2.gz KAGZFDBUWNEPOY-KRWDZBQOSA-N 1 2 332.806 3.608 20 0 EHADLO Cc1ccc2cc(C(=O)NCCCCNc3cccc[nH+]3)ccc2n1 ZINC000161700185 1035404067 /nfs/dbraw/zinc/40/40/67/1035404067.db2.gz YWAVSANBJQSAEL-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613178900 1035442976 /nfs/dbraw/zinc/44/29/76/1035442976.db2.gz GUZKGTJCPBIHLU-MAUKXSAKSA-N 1 2 344.842 3.514 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613178900 1035442978 /nfs/dbraw/zinc/44/29/78/1035442978.db2.gz GUZKGTJCPBIHLU-MAUKXSAKSA-N 1 2 344.842 3.514 20 0 EHADLO CCOc1ccc(CNc2[nH+]c3ccccc3n2CCOC)cc1 ZINC000185850067 1035548917 /nfs/dbraw/zinc/54/89/17/1035548917.db2.gz TXZBDUIELKLNLR-UHFFFAOYSA-N 1 2 325.412 3.694 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC2(CCC2)CC1 ZINC000376246289 1035565283 /nfs/dbraw/zinc/56/52/83/1035565283.db2.gz CYFNFBKAJCWERV-UHFFFAOYSA-N 1 2 342.487 3.548 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)s1 ZINC000414112370 1035568307 /nfs/dbraw/zinc/56/83/07/1035568307.db2.gz YCAQEUVKLXQTBH-YGRLFVJLSA-N 1 2 334.416 3.797 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N[C@H](c1cccnc1)C1CC1 ZINC000492286541 1035577843 /nfs/dbraw/zinc/57/78/43/1035577843.db2.gz ITOZKGVHXQOXQV-JHBNHHRKSA-N 1 2 344.418 3.548 20 0 EHADLO c1cn(Cc2ccccc2)c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000186177419 1035596891 /nfs/dbraw/zinc/59/68/91/1035596891.db2.gz NMOYNYXORASPAH-UHFFFAOYSA-N 1 2 329.447 3.979 20 0 EHADLO c1cn(Cc2ccccc2)c(C[N@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000186177419 1035596896 /nfs/dbraw/zinc/59/68/96/1035596896.db2.gz NMOYNYXORASPAH-UHFFFAOYSA-N 1 2 329.447 3.979 20 0 EHADLO Clc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000540700267 1035600711 /nfs/dbraw/zinc/60/07/11/1035600711.db2.gz XMKYWOHFBXEVJW-QGZVFWFLSA-N 1 2 329.831 3.671 20 0 EHADLO CCSc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000186404302 1035629455 /nfs/dbraw/zinc/62/94/55/1035629455.db2.gz GMDVMJIYRRBHNQ-UHFFFAOYSA-N 1 2 327.497 3.511 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000457043140 1035650568 /nfs/dbraw/zinc/65/05/68/1035650568.db2.gz HAFCCWIHUZPNGO-HOCLYGCPSA-N 1 2 325.456 3.824 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000457043140 1035650576 /nfs/dbraw/zinc/65/05/76/1035650576.db2.gz HAFCCWIHUZPNGO-HOCLYGCPSA-N 1 2 325.456 3.824 20 0 EHADLO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000540780928 1035677249 /nfs/dbraw/zinc/67/72/49/1035677249.db2.gz XQRTZBYTCBUSNL-MAUKXSAKSA-N 1 2 348.487 3.668 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1F ZINC000666161488 1035687419 /nfs/dbraw/zinc/68/74/19/1035687419.db2.gz JVKHMROWCQDRTR-SFHVURJKSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1F ZINC000666161488 1035687426 /nfs/dbraw/zinc/68/74/26/1035687426.db2.gz JVKHMROWCQDRTR-SFHVURJKSA-N 1 2 344.434 3.835 20 0 EHADLO Cc1ccc(C[S@](=O)[C@H](C)c2nc(-c3ccccc3)no2)c(C)[nH+]1 ZINC000187158408 1035778465 /nfs/dbraw/zinc/77/84/65/1035778465.db2.gz VCRSDEXJQRZUAF-SHACYNPGSA-N 1 2 341.436 3.758 20 0 EHADLO O=C(N[C@@H](c1ccccc1F)C1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000514675130 1035779475 /nfs/dbraw/zinc/77/94/75/1035779475.db2.gz MLXDOOWIPUIYQV-HNAYVOBHSA-N 1 2 341.430 3.632 20 0 EHADLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000540908625 1035788863 /nfs/dbraw/zinc/78/88/63/1035788863.db2.gz NFUMVVKAVBZRLD-MRXNPFEDSA-N 1 2 334.423 3.717 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccoc1 ZINC000588169243 1035796957 /nfs/dbraw/zinc/79/69/57/1035796957.db2.gz KGPKZZJFZJBUDF-LJQANCHMSA-N 1 2 332.419 3.754 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccoc1 ZINC000588169243 1035796973 /nfs/dbraw/zinc/79/69/73/1035796973.db2.gz KGPKZZJFZJBUDF-LJQANCHMSA-N 1 2 332.419 3.754 20 0 EHADLO CCCc1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000173972573 1035821235 /nfs/dbraw/zinc/82/12/35/1035821235.db2.gz BKPAKRKJYLUGPR-CQSZACIVSA-N 1 2 348.878 3.554 20 0 EHADLO Cc1nnc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 ZINC000540956389 1035838011 /nfs/dbraw/zinc/83/80/11/1035838011.db2.gz CWILBWHMDBNJQN-UHFFFAOYSA-N 1 2 347.875 3.592 20 0 EHADLO C[C@H]1CC[C@@]2(CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)C1 ZINC000540985985 1035880972 /nfs/dbraw/zinc/88/09/72/1035880972.db2.gz DUHXOZNZEWVJSR-OXJNMPFZSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000669271521 1035884803 /nfs/dbraw/zinc/88/48/03/1035884803.db2.gz VVTJWJXPRADUDI-NCXUSEDFSA-N 1 2 337.467 3.627 20 0 EHADLO Nc1nc(N2CCC(=Cc3cccc(F)c3)CC2)[nH+]c2ccccc12 ZINC000535008345 1035896483 /nfs/dbraw/zinc/89/64/83/1035896483.db2.gz SOBOYJVDMOZJJU-UHFFFAOYSA-N 1 2 334.398 3.865 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCCCCn3cc[nH+]c3)s2)o1 ZINC000541042504 1035925620 /nfs/dbraw/zinc/92/56/20/1035925620.db2.gz ODYZRCGXJBQEFQ-UHFFFAOYSA-N 1 2 329.425 3.723 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(SC(F)F)cc1 ZINC000178153858 1035927972 /nfs/dbraw/zinc/92/79/72/1035927972.db2.gz RHJKORAOLSLDRC-UHFFFAOYSA-N 1 2 348.378 3.971 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccnc1 ZINC000174405866 1035933502 /nfs/dbraw/zinc/93/35/02/1035933502.db2.gz NVIBWVRWMTTZMU-GFCCVEGCSA-N 1 2 326.787 3.663 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(OC[C@@H]2CCCO2)c1 ZINC000535064317 1035948902 /nfs/dbraw/zinc/94/89/02/1035948902.db2.gz JOFSMAXMLINWGA-HOCLYGCPSA-N 1 2 332.469 3.860 20 0 EHADLO CC1CCN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000613461957 1035958823 /nfs/dbraw/zinc/95/88/23/1035958823.db2.gz FDIBWKALGBDCGB-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO CC1CCN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000613461957 1035958831 /nfs/dbraw/zinc/95/88/31/1035958831.db2.gz FDIBWKALGBDCGB-UHFFFAOYSA-N 1 2 329.271 3.684 20 0 EHADLO Cc1sc(NC(=O)CCc2c[nH+]cn2C)nc1-c1ccc(F)cc1 ZINC000188722577 1035960367 /nfs/dbraw/zinc/96/03/67/1035960367.db2.gz ZGBPLTAMAMPOJI-UHFFFAOYSA-N 1 2 344.415 3.562 20 0 EHADLO CCn1c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)nc2ccccc21 ZINC000535052245 1035961655 /nfs/dbraw/zinc/96/16/55/1035961655.db2.gz OCVJSFUETVDFRX-UHFFFAOYSA-N 1 2 338.455 3.918 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000613464851 1035968665 /nfs/dbraw/zinc/96/86/65/1035968665.db2.gz NJOWBGSDWSFMMG-CQSZACIVSA-N 1 2 344.455 3.957 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000613464851 1035968681 /nfs/dbraw/zinc/96/86/81/1035968681.db2.gz NJOWBGSDWSFMMG-CQSZACIVSA-N 1 2 344.455 3.957 20 0 EHADLO O=C(CCc1cccs1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188778100 1035972028 /nfs/dbraw/zinc/97/20/28/1035972028.db2.gz ADIWFGZMYBWBGG-UHFFFAOYSA-N 1 2 348.899 3.509 20 0 EHADLO O=C(CCc1cccs1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188778100 1035972043 /nfs/dbraw/zinc/97/20/43/1035972043.db2.gz ADIWFGZMYBWBGG-UHFFFAOYSA-N 1 2 348.899 3.509 20 0 EHADLO COc1cc(OC)c(C[N@H+](Cc2ccccn2)C(C)C)c(OC)c1 ZINC000535082270 1035975340 /nfs/dbraw/zinc/97/53/40/1035975340.db2.gz VUUQYJAGQUTBPK-UHFFFAOYSA-N 1 2 330.428 3.518 20 0 EHADLO COc1cc(OC)c(C[N@@H+](Cc2ccccn2)C(C)C)c(OC)c1 ZINC000535082270 1035975355 /nfs/dbraw/zinc/97/53/55/1035975355.db2.gz VUUQYJAGQUTBPK-UHFFFAOYSA-N 1 2 330.428 3.518 20 0 EHADLO O=C(Nc1ccccc1NC1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000913946566 1035987224 /nfs/dbraw/zinc/98/72/24/1035987224.db2.gz ZPBAIZRGQAUQST-HNNXBMFYSA-N 1 2 338.455 3.829 20 0 EHADLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000535071456 1035993271 /nfs/dbraw/zinc/99/32/71/1035993271.db2.gz XHKNMGVDWBWHON-UHFFFAOYSA-N 1 2 344.842 3.654 20 0 EHADLO c1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)n(C2CCCC2)n1 ZINC000572106410 1035996672 /nfs/dbraw/zinc/99/66/72/1035996672.db2.gz YBANNKYWYSMBAG-UHFFFAOYSA-N 1 2 339.468 3.807 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)[C@H](C)c1cccc(O)c1 ZINC000174615160 1036031894 /nfs/dbraw/zinc/03/18/94/1036031894.db2.gz ASOBJLUJIINIBZ-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)[C@H](C)c1cccc(O)c1 ZINC000174615160 1036031913 /nfs/dbraw/zinc/03/19/13/1036031913.db2.gz ASOBJLUJIINIBZ-CQSZACIVSA-N 1 2 340.423 3.616 20 0 EHADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000174649605 1036041754 /nfs/dbraw/zinc/04/17/54/1036041754.db2.gz NXZJJKMLICVJMQ-CYBMUJFWSA-N 1 2 330.432 3.618 20 0 EHADLO C[N@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000613484564 1036058882 /nfs/dbraw/zinc/05/88/82/1036058882.db2.gz HFGYSGPNSUTHEE-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000613484564 1036058896 /nfs/dbraw/zinc/05/88/96/1036058896.db2.gz HFGYSGPNSUTHEE-UHFFFAOYSA-N 1 2 325.387 3.522 20 0 EHADLO CC1(C)[C@@H](c2ccccc2)C[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000464066129 1036082329 /nfs/dbraw/zinc/08/23/29/1036082329.db2.gz QIXDUISITVLZED-MOPGFXCFSA-N 1 2 337.467 3.912 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH+]1 ZINC000588857750 1036146615 /nfs/dbraw/zinc/14/66/15/1036146615.db2.gz JNSYZHGZZQCSJT-OLZOCXBDSA-N 1 2 325.334 3.950 20 0 EHADLO CCN(CC)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cn1 ZINC000892571764 1036188253 /nfs/dbraw/zinc/18/82/53/1036188253.db2.gz QPZPZSRDKPNDEP-UHFFFAOYSA-N 1 2 344.406 3.693 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563855 1036233034 /nfs/dbraw/zinc/23/30/34/1036233034.db2.gz LBWWRAJPUWNWOP-HZPDHXFCSA-N 1 2 329.444 3.680 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472563855 1036233050 /nfs/dbraw/zinc/23/30/50/1036233050.db2.gz LBWWRAJPUWNWOP-HZPDHXFCSA-N 1 2 329.444 3.680 20 0 EHADLO C[C@H]1CCCC[C@@]1(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457552375 1036247641 /nfs/dbraw/zinc/24/76/41/1036247641.db2.gz HLQCCPVJXJFXRZ-OXJNMPFZSA-N 1 2 340.471 3.699 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259313 1036248225 /nfs/dbraw/zinc/24/82/25/1036248225.db2.gz DJNUVASKEJEGSR-MRXNPFEDSA-N 1 2 334.529 3.999 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000190533451 1036254783 /nfs/dbraw/zinc/25/47/83/1036254783.db2.gz BUIKZRMITTUCRI-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000190533451 1036254798 /nfs/dbraw/zinc/25/47/98/1036254798.db2.gz BUIKZRMITTUCRI-UHFFFAOYSA-N 1 2 335.872 3.516 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000535281371 1036277006 /nfs/dbraw/zinc/27/70/06/1036277006.db2.gz XPQXYIVHMCSLPO-ZDUSSCGKSA-N 1 2 326.362 3.622 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000535281371 1036277022 /nfs/dbraw/zinc/27/70/22/1036277022.db2.gz XPQXYIVHMCSLPO-ZDUSSCGKSA-N 1 2 326.362 3.622 20 0 EHADLO CCN(C)c1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cn1 ZINC000190876475 1036286159 /nfs/dbraw/zinc/28/61/59/1036286159.db2.gz DKKNSVBNWSVMST-UHFFFAOYSA-N 1 2 328.441 3.544 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](CC)CC(F)F)CC2)s1 ZINC000457591175 1036289351 /nfs/dbraw/zinc/28/93/51/1036289351.db2.gz ZDFYUJVPCKSLTC-ZDUSSCGKSA-N 1 2 344.471 3.636 20 0 EHADLO CC(C)=CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000589245543 1036319111 /nfs/dbraw/zinc/31/91/11/1036319111.db2.gz PLALETFKDHTAAL-UHFFFAOYSA-N 1 2 333.785 3.842 20 0 EHADLO COCc1noc([C@@H](C)SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000191012514 1036326161 /nfs/dbraw/zinc/32/61/61/1036326161.db2.gz QLOPQGBYCVDSGU-CYBMUJFWSA-N 1 2 344.440 3.705 20 0 EHADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(OC(F)(F)F)c2)n1 ZINC001143468778 1036357162 /nfs/dbraw/zinc/35/71/62/1036357162.db2.gz LDZSXGDMONFTMR-AWEZNQCLSA-N 1 2 341.333 3.922 20 0 EHADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(OC(F)(F)F)c2)n1 ZINC001143468778 1036357183 /nfs/dbraw/zinc/35/71/83/1036357183.db2.gz LDZSXGDMONFTMR-AWEZNQCLSA-N 1 2 341.333 3.922 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1C(C)(C)C ZINC000191337353 1036368434 /nfs/dbraw/zinc/36/84/34/1036368434.db2.gz WESWKMZRKPFFOE-XJKSGUPXSA-N 1 2 344.507 3.847 20 0 EHADLO Cc1ccc(/C=C\C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000492871393 1036368759 /nfs/dbraw/zinc/36/87/59/1036368759.db2.gz ULFDLLRUOPXWDX-KHPPLWFESA-N 1 2 331.419 3.569 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2[nH]ccc2C2CC2)c(C)c1 ZINC000457649635 1036382708 /nfs/dbraw/zinc/38/27/08/1036382708.db2.gz DCZNTFXVHYGBIM-LJQANCHMSA-N 1 2 348.450 3.877 20 0 EHADLO CN(Cc1cn(C)nc1C(F)(F)F)c1[nH+]ccc2cc(F)ccc21 ZINC000572716467 1036465689 /nfs/dbraw/zinc/46/56/89/1036465689.db2.gz STCWBRLTYRDLLD-UHFFFAOYSA-N 1 2 338.308 3.763 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000457753899 1036479682 /nfs/dbraw/zinc/47/96/82/1036479682.db2.gz BHWZNAGWJCITIO-LBPRGKRZSA-N 1 2 343.393 3.514 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457779915 1036499341 /nfs/dbraw/zinc/49/93/41/1036499341.db2.gz SCGDYXPGFGEFQM-OLZOCXBDSA-N 1 2 343.393 3.514 20 0 EHADLO Cc1ccc(/C=C\C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000493005264 1036511516 /nfs/dbraw/zinc/51/15/16/1036511516.db2.gz MIJXROGTFMCDMB-KTKRTIGZSA-N 1 2 349.478 3.947 20 0 EHADLO Cc1ccccc1CN(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000589772790 1036615307 /nfs/dbraw/zinc/61/53/07/1036615307.db2.gz PHPFNPOTRQJMCK-UHFFFAOYSA-N 1 2 349.478 3.685 20 0 EHADLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000493068831 1036632373 /nfs/dbraw/zinc/63/23/73/1036632373.db2.gz FBLOUVJTSCVVAZ-FPLPWBNLSA-N 1 2 331.366 3.673 20 0 EHADLO COC(=O)CCC1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000535592885 1036697153 /nfs/dbraw/zinc/69/71/53/1036697153.db2.gz IMZFHZIBOGSYCN-UHFFFAOYSA-N 1 2 333.476 3.893 20 0 EHADLO CCC(CC)[C@H](C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000535604363 1036715056 /nfs/dbraw/zinc/71/50/56/1036715056.db2.gz TZKNJPFNYNCVOV-INIZCTEOSA-N 1 2 332.488 3.838 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462263303 1036760818 /nfs/dbraw/zinc/76/08/18/1036760818.db2.gz WUHQXELVAYDXBB-ZPUIDXCVSA-N 1 2 338.854 3.777 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462263303 1036760839 /nfs/dbraw/zinc/76/08/39/1036760839.db2.gz WUHQXELVAYDXBB-ZPUIDXCVSA-N 1 2 338.854 3.777 20 0 EHADLO CC[C@@H](C)Oc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000176258544 1036796849 /nfs/dbraw/zinc/79/68/49/1036796849.db2.gz UQUWFVAQCDVSPS-MRXNPFEDSA-N 1 2 341.455 3.881 20 0 EHADLO CC[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791874 1036804989 /nfs/dbraw/zinc/80/49/89/1036804989.db2.gz VJIXVRVLFDGQOK-XJKSGUPXSA-N 1 2 338.904 3.663 20 0 EHADLO CC[C@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791874 1036805015 /nfs/dbraw/zinc/80/50/15/1036805015.db2.gz VJIXVRVLFDGQOK-XJKSGUPXSA-N 1 2 338.904 3.663 20 0 EHADLO FC(F)(F)Oc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1Cl ZINC001218274859 1036882796 /nfs/dbraw/zinc/88/27/96/1036882796.db2.gz ROXTVOWKRWSYEJ-MRVPVSSYSA-N 1 2 331.668 3.615 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590132 1036957104 /nfs/dbraw/zinc/95/71/04/1036957104.db2.gz CIRBZWSIYBQAEP-KVPRVUCYSA-N 1 2 338.854 3.777 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000539590132 1036957120 /nfs/dbraw/zinc/95/71/20/1036957120.db2.gz CIRBZWSIYBQAEP-KVPRVUCYSA-N 1 2 338.854 3.777 20 0 EHADLO Cc1ccc(-c2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)o1 ZINC000350192089 1036959716 /nfs/dbraw/zinc/95/97/16/1036959716.db2.gz LEXWUYCYLGLUBY-UHFFFAOYSA-N 1 2 330.294 3.623 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528901 1036963794 /nfs/dbraw/zinc/96/37/94/1036963794.db2.gz QLJRYKGPCSLBEO-SJLPKXTDSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528901 1036963808 /nfs/dbraw/zinc/96/38/08/1036963808.db2.gz QLJRYKGPCSLBEO-SJLPKXTDSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528959 1036965391 /nfs/dbraw/zinc/96/53/91/1036965391.db2.gz QLJRYKGPCSLBEO-AEFFLSMTSA-N 1 2 347.462 3.849 20 0 EHADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2nc(C)c3ccccc3c2=O)C1 ZINC000151528959 1036965401 /nfs/dbraw/zinc/96/54/01/1036965401.db2.gz QLJRYKGPCSLBEO-AEFFLSMTSA-N 1 2 347.462 3.849 20 0 EHADLO CC[C@@](C)([NH2+]Cc1cccc2c1OC(F)(F)O2)c1nccs1 ZINC000414361504 1036997222 /nfs/dbraw/zinc/99/72/22/1036997222.db2.gz SRJCBLMWXBTQFD-CQSZACIVSA-N 1 2 326.368 3.880 20 0 EHADLO Clc1sc(C[N@@H+]2CCC23CCOCC3)cc1Br ZINC000376462548 1036999672 /nfs/dbraw/zinc/99/96/72/1036999672.db2.gz IOBSZHUVYVPHEZ-UHFFFAOYSA-N 1 2 336.682 3.919 20 0 EHADLO Clc1sc(C[N@H+]2CCC23CCOCC3)cc1Br ZINC000376462548 1036999689 /nfs/dbraw/zinc/99/96/89/1036999689.db2.gz IOBSZHUVYVPHEZ-UHFFFAOYSA-N 1 2 336.682 3.919 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc(C)o1 ZINC000414367681 1037031705 /nfs/dbraw/zinc/03/17/05/1037031705.db2.gz SBXJCZPFJIXHMD-GOSISDBHSA-N 1 2 343.402 3.699 20 0 EHADLO C[C@@H](C1CC1)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414365850 1037032603 /nfs/dbraw/zinc/03/26/03/1037032603.db2.gz NKOBZQSLWKMNEH-AWEZNQCLSA-N 1 2 349.521 3.952 20 0 EHADLO C[C@@H](C1CC1)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414365850 1037032616 /nfs/dbraw/zinc/03/26/16/1037032616.db2.gz NKOBZQSLWKMNEH-AWEZNQCLSA-N 1 2 349.521 3.952 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccc(C)cc1F)C2 ZINC000590789311 1037057296 /nfs/dbraw/zinc/05/72/96/1037057296.db2.gz SBYULIAIBJATRB-UHFFFAOYSA-N 1 2 342.414 3.530 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccc(C)cc1F)C2 ZINC000590789311 1037057314 /nfs/dbraw/zinc/05/73/14/1037057314.db2.gz SBYULIAIBJATRB-UHFFFAOYSA-N 1 2 342.414 3.530 20 0 EHADLO CC1(C)C[C@@]1(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451845 1037066152 /nfs/dbraw/zinc/06/61/52/1037066152.db2.gz PVYXLWPBEFRJGF-HXUWFJFHSA-N 1 2 336.439 3.912 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000590846981 1037083021 /nfs/dbraw/zinc/08/30/21/1037083021.db2.gz CQQISEDAWFMMMT-ROUUACIJSA-N 1 2 326.444 3.771 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168453948 1037093731 /nfs/dbraw/zinc/09/37/31/1037093731.db2.gz JWSFNFNBRRQLKN-JXFKEZNVSA-N 1 2 343.442 3.911 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590859942 1037103167 /nfs/dbraw/zinc/10/31/67/1037103167.db2.gz FEFQWBHNXRKLEK-NVXWUHKLSA-N 1 2 344.846 3.571 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000186904134 1037103773 /nfs/dbraw/zinc/10/37/73/1037103773.db2.gz QRDHHDWRRXSAFR-LJQANCHMSA-N 1 2 339.826 3.522 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105001368 1037126575 /nfs/dbraw/zinc/12/65/75/1037126575.db2.gz FFDDYTURSVSBLN-UHFFFAOYSA-N 1 2 342.443 3.883 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186961287 1037133722 /nfs/dbraw/zinc/13/37/22/1037133722.db2.gz JKGIKPPKWXUTPW-QGZVFWFLSA-N 1 2 345.855 3.583 20 0 EHADLO c1cn(-c2cccc(-c3noc([C@H]4CC45CCSCC5)n3)c2)c[nH+]1 ZINC000351117272 1037143517 /nfs/dbraw/zinc/14/35/17/1037143517.db2.gz PCZHULDJRKYLNH-OAHLLOKOSA-N 1 2 338.436 3.923 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000542185941 1037145868 /nfs/dbraw/zinc/14/58/68/1037145868.db2.gz QWOJBRLJTCFGJF-UHFFFAOYSA-N 1 2 348.450 3.824 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)n1 ZINC000591083645 1037212951 /nfs/dbraw/zinc/21/29/51/1037212951.db2.gz LJCWDAVULNMFSU-LSDHHAIUSA-N 1 2 346.450 3.772 20 0 EHADLO Cc1cccn2c(C[N@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)cnc12 ZINC000539817265 1037235175 /nfs/dbraw/zinc/23/51/75/1037235175.db2.gz MLRCDNNSXPGSEA-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO Cc1cccn2c(C[N@@H+]3C[C@H](c4ccccc4C)OC[C@H]3C)cnc12 ZINC000539817265 1037235196 /nfs/dbraw/zinc/23/51/96/1037235196.db2.gz MLRCDNNSXPGSEA-YLJYHZDGSA-N 1 2 335.451 3.913 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000539831314 1037259183 /nfs/dbraw/zinc/25/91/83/1037259183.db2.gz JMAZIJYJKRGABQ-FQEVSTJZSA-N 1 2 339.435 3.531 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000539831314 1037259199 /nfs/dbraw/zinc/25/91/99/1037259199.db2.gz JMAZIJYJKRGABQ-FQEVSTJZSA-N 1 2 339.435 3.531 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000341898547 1037282322 /nfs/dbraw/zinc/28/23/22/1037282322.db2.gz DOCYYPDMUJFQFX-IBGZPJMESA-N 1 2 329.465 3.817 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000341898547 1037282331 /nfs/dbraw/zinc/28/23/31/1037282331.db2.gz DOCYYPDMUJFQFX-IBGZPJMESA-N 1 2 329.465 3.817 20 0 EHADLO CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC ZINC000045736111 1037292712 /nfs/dbraw/zinc/29/27/12/1037292712.db2.gz ZZJVLBLRCDLIJW-LJQANCHMSA-N 1 2 349.434 3.821 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000462698777 1037293779 /nfs/dbraw/zinc/29/37/79/1037293779.db2.gz KPZNFFXENXFOEN-NSHDSACASA-N 1 2 325.840 3.819 20 0 EHADLO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000106136660 1037305379 /nfs/dbraw/zinc/30/53/79/1037305379.db2.gz YZHCYAGZCUJGBU-UONOGXRCSA-N 1 2 348.878 3.725 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)s1 ZINC000669931528 1037327894 /nfs/dbraw/zinc/32/78/94/1037327894.db2.gz RPARVKIZCGQIJF-KGLIPLIRSA-N 1 2 342.512 3.823 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000088549217 1037385379 /nfs/dbraw/zinc/38/53/79/1037385379.db2.gz IJCJBNYFEMAAOY-INIZCTEOSA-N 1 2 344.455 3.753 20 0 EHADLO COCCn1c(C)cc(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000088549217 1037385395 /nfs/dbraw/zinc/38/53/95/1037385395.db2.gz IJCJBNYFEMAAOY-INIZCTEOSA-N 1 2 344.455 3.753 20 0 EHADLO CCS[C@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301484505 1037387617 /nfs/dbraw/zinc/38/76/17/1037387617.db2.gz GPSVRQLNLIWNEN-CVEARBPZSA-N 1 2 339.468 3.902 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+](C)CCOCC3CC3)n2)cc1 ZINC000088600001 1037387494 /nfs/dbraw/zinc/38/74/94/1037387494.db2.gz ZDCNENOBGKSWOJ-UHFFFAOYSA-N 1 2 329.444 3.718 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)CCOCC3CC3)n2)cc1 ZINC000088600001 1037387514 /nfs/dbraw/zinc/38/75/14/1037387514.db2.gz ZDCNENOBGKSWOJ-UHFFFAOYSA-N 1 2 329.444 3.718 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2SC)c1C ZINC000170945881 1037388508 /nfs/dbraw/zinc/38/85/08/1037388508.db2.gz MZBAAMCCNBHLFL-UHFFFAOYSA-N 1 2 336.482 3.763 20 0 EHADLO Cn1nc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc21 ZINC000648519064 1037409235 /nfs/dbraw/zinc/40/92/35/1037409235.db2.gz ULCZHBLYJRXALB-ZDUSSCGKSA-N 1 2 331.341 3.768 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccn3cc[nH+]c3c1)CC2 ZINC000187595854 1037417981 /nfs/dbraw/zinc/41/79/81/1037417981.db2.gz XXASSNJROULOHA-IBGZPJMESA-N 1 2 348.450 3.944 20 0 EHADLO CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000491423889 1037451325 /nfs/dbraw/zinc/45/13/25/1037451325.db2.gz QDGDKOHPAYNQBQ-FZKQIMNGSA-N 1 2 348.849 3.991 20 0 EHADLO CCC(C)(C)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000913648738 1037460721 /nfs/dbraw/zinc/46/07/21/1037460721.db2.gz OGNIWZHJDAJUON-UHFFFAOYSA-N 1 2 328.460 3.551 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(CC)o1 ZINC000493600485 1037487032 /nfs/dbraw/zinc/48/70/32/1037487032.db2.gz XSSNBZSNBIXWGQ-KHPPLWFESA-N 1 2 329.444 3.553 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000376535409 1037489860 /nfs/dbraw/zinc/48/98/60/1037489860.db2.gz YOFFAAWUIPPJTQ-MRXNPFEDSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000376535409 1037489870 /nfs/dbraw/zinc/48/98/70/1037489870.db2.gz YOFFAAWUIPPJTQ-MRXNPFEDSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)Oc1cccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000491478068 1037496950 /nfs/dbraw/zinc/49/69/50/1037496950.db2.gz JLDRBQOHALDYJU-SREVYHEPSA-N 1 2 339.439 3.616 20 0 EHADLO C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1c1ccccc1 ZINC000540036398 1037502406 /nfs/dbraw/zinc/50/24/06/1037502406.db2.gz DAUBHEQLDHKKPG-LPHOPBHVSA-N 1 2 346.434 3.533 20 0 EHADLO O[C@@H](C[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1)c1ccco1 ZINC000760844671 1037526878 /nfs/dbraw/zinc/52/68/78/1037526878.db2.gz RDNCMCJCYPSOGG-KRWDZBQOSA-N 1 2 338.407 3.881 20 0 EHADLO O[C@@H](C[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1)c1ccco1 ZINC000760844671 1037526892 /nfs/dbraw/zinc/52/68/92/1037526892.db2.gz RDNCMCJCYPSOGG-KRWDZBQOSA-N 1 2 338.407 3.881 20 0 EHADLO COCc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000187779267 1037533789 /nfs/dbraw/zinc/53/37/89/1037533789.db2.gz QQMQWCNUKPAHOH-GOSISDBHSA-N 1 2 325.387 3.574 20 0 EHADLO Cc1cccc(O[C@@H](C)CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000462908001 1037537477 /nfs/dbraw/zinc/53/74/77/1037537477.db2.gz IDZXAIICBBCGHS-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO Cc1cccc(O[C@@H](C)CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000462908001 1037537485 /nfs/dbraw/zinc/53/74/85/1037537485.db2.gz IDZXAIICBBCGHS-INIZCTEOSA-N 1 2 326.444 3.655 20 0 EHADLO CC(C)CCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101864940 1037575116 /nfs/dbraw/zinc/57/51/16/1037575116.db2.gz JNIZUIVHDGZLQS-UHFFFAOYSA-N 1 2 341.455 3.785 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000573488086 1037584979 /nfs/dbraw/zinc/58/49/79/1037584979.db2.gz HQDURSGJOJCKAB-HOTGVXAUSA-N 1 2 337.847 3.516 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000573488086 1037584982 /nfs/dbraw/zinc/58/49/82/1037584982.db2.gz HQDURSGJOJCKAB-HOTGVXAUSA-N 1 2 337.847 3.516 20 0 EHADLO COc1cccc(COCC[NH2+][C@H](Cc2ccccc2)C(F)F)c1 ZINC000540142899 1037597128 /nfs/dbraw/zinc/59/71/28/1037597128.db2.gz IIUBHLNBSFGTKZ-GOSISDBHSA-N 1 2 335.394 3.678 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000540148489 1037605696 /nfs/dbraw/zinc/60/56/96/1037605696.db2.gz QCYKRCQBJDXHSE-BBATYDOGSA-N 1 2 340.377 3.773 20 0 EHADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000540148489 1037605701 /nfs/dbraw/zinc/60/57/01/1037605701.db2.gz QCYKRCQBJDXHSE-BBATYDOGSA-N 1 2 340.377 3.773 20 0 EHADLO c1cc(-c2ccncc2)n(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000151762373 1037629116 /nfs/dbraw/zinc/62/91/16/1037629116.db2.gz IPHDPEIJYJLBNG-IBGZPJMESA-N 1 2 336.464 3.693 20 0 EHADLO c1cc(-c2ccncc2)n(C[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000151762373 1037629126 /nfs/dbraw/zinc/62/91/26/1037629126.db2.gz IPHDPEIJYJLBNG-IBGZPJMESA-N 1 2 336.464 3.693 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1sccc1Br ZINC000540155664 1037629901 /nfs/dbraw/zinc/62/99/01/1037629901.db2.gz AWYWJDJNOUXNQA-KCJUWKMLSA-N 1 2 326.263 3.962 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1sccc1Br ZINC000540155664 1037629911 /nfs/dbraw/zinc/62/99/11/1037629911.db2.gz AWYWJDJNOUXNQA-KCJUWKMLSA-N 1 2 326.263 3.962 20 0 EHADLO Cc1c(C(=O)NCCn2c[nH+]cc2-c2ccccc2)ccn1C(C)C ZINC000913712934 1037642758 /nfs/dbraw/zinc/64/27/58/1037642758.db2.gz ZXDUCDVNWKGASH-UHFFFAOYSA-N 1 2 336.439 3.671 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108387475 1037646662 /nfs/dbraw/zinc/64/66/62/1037646662.db2.gz GRNFZTQFELPYGP-SJCJKPOMSA-N 1 2 345.418 3.593 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108387477 1037647326 /nfs/dbraw/zinc/64/73/26/1037647326.db2.gz GRNFZTQFELPYGP-PXAZEXFGSA-N 1 2 345.418 3.593 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1ccc(F)cc1F ZINC000463022636 1037654398 /nfs/dbraw/zinc/65/43/98/1037654398.db2.gz FGASMCFTOQAWFA-ZDUSSCGKSA-N 1 2 332.398 3.961 20 0 EHADLO C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)cc1F ZINC000463022636 1037654403 /nfs/dbraw/zinc/65/44/03/1037654403.db2.gz FGASMCFTOQAWFA-ZDUSSCGKSA-N 1 2 332.398 3.961 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2sccc2C1 ZINC000025438151 1037664641 /nfs/dbraw/zinc/66/46/41/1037664641.db2.gz AJNFVLPOYFSBES-CQSZACIVSA-N 1 2 333.457 3.600 20 0 EHADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2sccc2C1 ZINC000025438151 1037664651 /nfs/dbraw/zinc/66/46/51/1037664651.db2.gz AJNFVLPOYFSBES-CQSZACIVSA-N 1 2 333.457 3.600 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC23CCCCC3)CC1 ZINC000463033704 1037695204 /nfs/dbraw/zinc/69/52/04/1037695204.db2.gz KONFJFSYLUJBQH-DOTOQJQBSA-N 1 2 332.513 3.924 20 0 EHADLO CSCC[C@@H](Nc1nc(C(C)(C)C)[nH+]c(C)c1C)C(C)(C)O ZINC001168214315 1037695430 /nfs/dbraw/zinc/69/54/30/1037695430.db2.gz STEKDGINTIRMTA-CYBMUJFWSA-N 1 2 325.522 3.695 20 0 EHADLO CSc1cc(C)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000666640534 1037739188 /nfs/dbraw/zinc/73/91/88/1037739188.db2.gz LXGYVWBSAGYLKJ-UHFFFAOYSA-N 1 2 345.468 3.625 20 0 EHADLO C=C/C=C\CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222678 1037792255 /nfs/dbraw/zinc/79/22/55/1037792255.db2.gz MVOWKEZAFDANAF-IYKSTZQJSA-N 1 2 338.245 3.727 20 0 EHADLO C=C/C=C\CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222678 1037792269 /nfs/dbraw/zinc/79/22/69/1037792269.db2.gz MVOWKEZAFDANAF-IYKSTZQJSA-N 1 2 338.245 3.727 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](Cc4ccccc4)C3)[nH+]c12 ZINC000592059091 1037804919 /nfs/dbraw/zinc/80/49/19/1037804919.db2.gz GBVGWTTVNNJLRP-LJQANCHMSA-N 1 2 347.462 3.667 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCc1ccccc1Cl ZINC000378068905 1037805315 /nfs/dbraw/zinc/80/53/15/1037805315.db2.gz KCNDKXGYVKFEMG-UHFFFAOYSA-N 1 2 345.874 3.854 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)nc1 ZINC000540324462 1037818851 /nfs/dbraw/zinc/81/88/51/1037818851.db2.gz RFUFYHPVSJPTGI-MRXNPFEDSA-N 1 2 334.423 3.610 20 0 EHADLO COc1cc[nH+]c(CN2CCn3c(cc4cc(Cl)ccc43)C2)c1 ZINC000494117836 1037838384 /nfs/dbraw/zinc/83/83/84/1037838384.db2.gz XJXDYGNTGLPFKE-UHFFFAOYSA-N 1 2 327.815 3.714 20 0 EHADLO COCCOc1cccc(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000492007818 1037859832 /nfs/dbraw/zinc/85/98/32/1037859832.db2.gz IRZSGJNBJZTICF-HJWRWDBZSA-N 1 2 340.423 3.684 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000035706408 1037876266 /nfs/dbraw/zinc/87/62/66/1037876266.db2.gz PBRONSBPSBAMQW-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000035706408 1037876304 /nfs/dbraw/zinc/87/63/04/1037876304.db2.gz PBRONSBPSBAMQW-UHFFFAOYSA-N 1 2 325.364 3.862 20 0 EHADLO CC[C@@H](C)[C@@H]([NH2+]Cc1nc(CCOC)no1)c1ccc(Cl)cc1 ZINC000540388476 1037877619 /nfs/dbraw/zinc/87/76/19/1037877619.db2.gz QGBZYYQAQQOLDY-SJKOYZFVSA-N 1 2 337.851 3.789 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000128402922 1037882417 /nfs/dbraw/zinc/88/24/17/1037882417.db2.gz SMARSYYNAQBQLB-LLVKDONJSA-N 1 2 338.860 3.869 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000128402922 1037882431 /nfs/dbraw/zinc/88/24/31/1037882431.db2.gz SMARSYYNAQBQLB-LLVKDONJSA-N 1 2 338.860 3.869 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378093275 1037894795 /nfs/dbraw/zinc/89/47/95/1037894795.db2.gz XFPJTQRURNNTSW-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378093275 1037894815 /nfs/dbraw/zinc/89/48/15/1037894815.db2.gz XFPJTQRURNNTSW-UHFFFAOYSA-N 1 2 341.455 3.627 20 0 EHADLO Cc1cccn2c(C[NH2+]C(C)(C)c3cc(C(F)(F)F)on3)cnc12 ZINC000492045827 1037895977 /nfs/dbraw/zinc/89/59/77/1037895977.db2.gz MHDULWCTGFUXMJ-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO Cc1cccn2c(CNC(C)(C)c3cc(C(F)(F)F)on3)c[nH+]c12 ZINC000492045827 1037896005 /nfs/dbraw/zinc/89/60/05/1037896005.db2.gz MHDULWCTGFUXMJ-UHFFFAOYSA-N 1 2 338.333 3.674 20 0 EHADLO C[C@@H](CN(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(C)(C)C ZINC000913804995 1037905046 /nfs/dbraw/zinc/90/50/46/1037905046.db2.gz COHKASGWKQHEJV-INIZCTEOSA-N 1 2 342.487 3.749 20 0 EHADLO CCCc1csc(C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)n1 ZINC000494194289 1037906857 /nfs/dbraw/zinc/90/68/57/1037906857.db2.gz GPGKBTKXDOQBAL-QGZVFWFLSA-N 1 2 346.496 3.862 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1cccs1 ZINC000584553336 1037910763 /nfs/dbraw/zinc/91/07/63/1037910763.db2.gz OUPHUPDLJBDWBF-GOSISDBHSA-N 1 2 346.496 3.993 20 0 EHADLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1cccs1 ZINC000584553336 1037910769 /nfs/dbraw/zinc/91/07/69/1037910769.db2.gz OUPHUPDLJBDWBF-GOSISDBHSA-N 1 2 346.496 3.993 20 0 EHADLO Cc1cc(NC(=O)Cc2cccc(OCc3ccccc3C)c2)cc[nH+]1 ZINC000592300794 1037911915 /nfs/dbraw/zinc/91/19/15/1037911915.db2.gz AFLLYXSOILKAGG-UHFFFAOYSA-N 1 2 346.430 3.881 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)[C@@H]1SC ZINC000592394180 1037936449 /nfs/dbraw/zinc/93/64/49/1037936449.db2.gz GHDMLEGCULQRJX-FPCVCCKLSA-N 1 2 329.456 3.752 20 0 EHADLO CC(C)(C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573965858 1037956468 /nfs/dbraw/zinc/95/64/68/1037956468.db2.gz JANHFMVWOKIFEC-GOSISDBHSA-N 1 2 339.483 3.901 20 0 EHADLO Fc1cc(Br)cc(CSCCn2cc[nH+]c2)c1F ZINC000573972860 1037960074 /nfs/dbraw/zinc/96/00/74/1037960074.db2.gz PGXBBWPSHRRRLA-UHFFFAOYSA-N 1 2 333.201 3.857 20 0 EHADLO C[C@H](c1ccccc1Cl)N(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000540463579 1037964499 /nfs/dbraw/zinc/96/44/99/1037964499.db2.gz DYYAXLZFFCDYEV-OIISXLGYSA-N 1 2 334.891 3.729 20 0 EHADLO C[C@H](c1ccccc1Cl)N(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000540463579 1037964514 /nfs/dbraw/zinc/96/45/14/1037964514.db2.gz DYYAXLZFFCDYEV-OIISXLGYSA-N 1 2 334.891 3.729 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001168244623 1037969432 /nfs/dbraw/zinc/96/94/32/1037969432.db2.gz QTYOHSPETVGKFP-OAHLLOKOSA-N 1 2 331.456 3.905 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001168244623 1037969441 /nfs/dbraw/zinc/96/94/41/1037969441.db2.gz QTYOHSPETVGKFP-OAHLLOKOSA-N 1 2 331.456 3.905 20 0 EHADLO Clc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000038908360 1037969801 /nfs/dbraw/zinc/96/98/01/1037969801.db2.gz AHZPGMSITHXFFD-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000540452308 1037972496 /nfs/dbraw/zinc/97/24/96/1037972496.db2.gz XARLEEUEAFJRMN-UHFFFAOYSA-N 1 2 347.528 3.810 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1CC(C)C ZINC001168244531 1037990213 /nfs/dbraw/zinc/99/02/13/1037990213.db2.gz OZMMVIKAYKNIFZ-LJQANCHMSA-N 1 2 327.472 3.799 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1CC(C)C ZINC001168244531 1037990235 /nfs/dbraw/zinc/99/02/35/1037990235.db2.gz OZMMVIKAYKNIFZ-LJQANCHMSA-N 1 2 327.472 3.799 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@H]1C ZINC000188110621 1038067172 /nfs/dbraw/zinc/06/71/72/1038067172.db2.gz XPMGMDIGVHSKRB-PWSUYJOCSA-N 1 2 346.254 3.633 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C[C@H]1C ZINC000188110621 1038067187 /nfs/dbraw/zinc/06/71/87/1038067187.db2.gz XPMGMDIGVHSKRB-PWSUYJOCSA-N 1 2 346.254 3.633 20 0 EHADLO CCCNC(=O)C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463364368 1038077390 /nfs/dbraw/zinc/07/73/90/1038077390.db2.gz GKPCGPYBDDYWCZ-UHFFFAOYSA-N 1 2 329.271 3.699 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCc4c(Cl)cccc4C3)cnc2n1 ZINC000123826230 1038086783 /nfs/dbraw/zinc/08/67/83/1038086783.db2.gz MRKQDLQWUIXCET-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCc4c(Cl)cccc4C3)cnc2n1 ZINC000123826230 1038086797 /nfs/dbraw/zinc/08/67/97/1038086797.db2.gz MRKQDLQWUIXCET-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO CC(C)(C)c1ccc(-c2ccc(C(=O)NCCn3cc[nH+]c3)o2)cc1 ZINC000173477567 1038104298 /nfs/dbraw/zinc/10/42/98/1038104298.db2.gz UEVRMDNLXCGMJA-UHFFFAOYSA-N 1 2 337.423 3.871 20 0 EHADLO Cc1[nH+]cc(CNc2ccc(Br)nc2)n1-c1ccccc1 ZINC000225945086 1038105141 /nfs/dbraw/zinc/10/51/41/1038105141.db2.gz IZBNWHFCCSVXLO-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000123972521 1038112456 /nfs/dbraw/zinc/11/24/56/1038112456.db2.gz GUFDVNMMBINHFY-KBXIAJHMSA-N 1 2 343.393 3.661 20 0 EHADLO C[C@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(C)c1 ZINC000124581910 1038207224 /nfs/dbraw/zinc/20/72/24/1038207224.db2.gz OVPGPCDPHJLHEU-SCLBCKFNSA-N 1 2 326.831 3.909 20 0 EHADLO c1c[nH]c(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000378253830 1038320550 /nfs/dbraw/zinc/32/05/50/1038320550.db2.gz CHMBVGIJHCPYLU-OAHLLOKOSA-N 1 2 343.475 3.685 20 0 EHADLO c1c[nH]c(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000378253830 1038320560 /nfs/dbraw/zinc/32/05/60/1038320560.db2.gz CHMBVGIJHCPYLU-OAHLLOKOSA-N 1 2 343.475 3.685 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)Oc3ccccc3Cl)ccc2[nH+]1 ZINC000339116102 1038324275 /nfs/dbraw/zinc/32/42/75/1038324275.db2.gz LZVIGVUQOTXYFR-LBPRGKRZSA-N 1 2 329.787 3.702 20 0 EHADLO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000538523606 1038344701 /nfs/dbraw/zinc/34/47/01/1038344701.db2.gz GCOOQWKPDQNKQO-AWEZNQCLSA-N 1 2 347.422 3.822 20 0 EHADLO O=C(NCc1ccoc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378275811 1038349037 /nfs/dbraw/zinc/34/90/37/1038349037.db2.gz WRBYPZSHUWPZGB-UHFFFAOYSA-N 1 2 334.379 3.517 20 0 EHADLO CC(C)c1nc2cc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc2o1 ZINC000538707584 1038483071 /nfs/dbraw/zinc/48/30/71/1038483071.db2.gz PPTDPLWWQQHJLG-UHFFFAOYSA-N 1 2 347.378 3.784 20 0 EHADLO CCc1cnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)s1 ZINC000538730052 1038497806 /nfs/dbraw/zinc/49/78/06/1038497806.db2.gz AXFHHMOOBJGMOD-CZUORRHYSA-N 1 2 331.485 3.744 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2=O)cs1 ZINC000343853686 1038507473 /nfs/dbraw/zinc/50/74/73/1038507473.db2.gz LCQQRPJCNHKBJI-IUODEOHRSA-N 1 2 347.459 3.745 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c(F)c1 ZINC000544449697 1038507570 /nfs/dbraw/zinc/50/75/70/1038507570.db2.gz PHFYLMKXLZXGIH-QGZVFWFLSA-N 1 2 348.418 3.669 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)CCc3c[nH+]cn3C)c2)cc1 ZINC000339163753 1038514316 /nfs/dbraw/zinc/51/43/16/1038514316.db2.gz QCQCIONSIAJJJI-UHFFFAOYSA-N 1 2 333.435 3.645 20 0 EHADLO Cc1cc(NC(=O)NCc2cc(Cl)sc2Cl)c(C)c[nH+]1 ZINC000538947237 1038609244 /nfs/dbraw/zinc/60/92/44/1038609244.db2.gz APXJSLIEVSNGID-UHFFFAOYSA-N 1 2 330.240 3.810 20 0 EHADLO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CCC45CCC5)nc(N)c23)C1 ZINC000538966812 1038617362 /nfs/dbraw/zinc/61/73/62/1038617362.db2.gz GLBZKPFQUJNPBX-LLVKDONJSA-N 1 2 328.485 3.527 20 0 EHADLO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CCC45CCC5)nc(N)c23)C1 ZINC000538966812 1038617367 /nfs/dbraw/zinc/61/73/67/1038617367.db2.gz GLBZKPFQUJNPBX-LLVKDONJSA-N 1 2 328.485 3.527 20 0 EHADLO C[C@@H]([NH2+]Cc1nccs1)c1ccccc1I ZINC000309609521 1038680468 /nfs/dbraw/zinc/68/04/68/1038680468.db2.gz MHDRXEUZFXKVPF-SECBINFHSA-N 1 2 344.221 3.599 20 0 EHADLO CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000363839331 1038653614 /nfs/dbraw/zinc/65/36/14/1038653614.db2.gz XKHZORKXKDHJBT-LBPRGKRZSA-N 1 2 349.887 3.815 20 0 EHADLO O=C(NC1CCC(C2CCC2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667204785 1038695276 /nfs/dbraw/zinc/69/52/76/1038695276.db2.gz BFHORVOKHKEJCN-ABHNRTSZSA-N 1 2 330.476 3.589 20 0 EHADLO CCn1cnnc1C[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000924685096 1038705527 /nfs/dbraw/zinc/70/55/27/1038705527.db2.gz OMYRXBDJXRDCAG-INIZCTEOSA-N 1 2 348.809 3.757 20 0 EHADLO Cc1csc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000363858070 1038706362 /nfs/dbraw/zinc/70/63/62/1038706362.db2.gz SUGOTOAJKVLTSL-CQSZACIVSA-N 1 2 344.415 3.978 20 0 EHADLO Cc1csc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000363858070 1038706370 /nfs/dbraw/zinc/70/63/70/1038706370.db2.gz SUGOTOAJKVLTSL-CQSZACIVSA-N 1 2 344.415 3.978 20 0 EHADLO O=C(Nc1cccc(F)c1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462115229 1038759962 /nfs/dbraw/zinc/75/99/62/1038759962.db2.gz DZCARIXVKPOIMI-KRWDZBQOSA-N 1 2 330.378 3.958 20 0 EHADLO O=C(Nc1cccc(F)c1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462115229 1038759970 /nfs/dbraw/zinc/75/99/70/1038759970.db2.gz DZCARIXVKPOIMI-KRWDZBQOSA-N 1 2 330.378 3.958 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378626902 1038778191 /nfs/dbraw/zinc/77/81/91/1038778191.db2.gz AQPZGSMKOPSXEX-UHFFFAOYSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378626902 1038778197 /nfs/dbraw/zinc/77/81/97/1038778197.db2.gz AQPZGSMKOPSXEX-UHFFFAOYSA-N 1 2 343.393 3.875 20 0 EHADLO c1cc(C[NH+]2CCC(OC3CCCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667567402 1038782416 /nfs/dbraw/zinc/78/24/16/1038782416.db2.gz YFEYJKHNKBPDJV-UHFFFAOYSA-N 1 2 340.471 3.581 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)s1 ZINC000363889766 1038785407 /nfs/dbraw/zinc/78/54/07/1038785407.db2.gz UPUXGLRVSJZWOU-GFCCVEGCSA-N 1 2 344.406 3.849 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)s1 ZINC000363889766 1038785428 /nfs/dbraw/zinc/78/54/28/1038785428.db2.gz UPUXGLRVSJZWOU-GFCCVEGCSA-N 1 2 344.406 3.849 20 0 EHADLO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000539377140 1038843692 /nfs/dbraw/zinc/84/36/92/1038843692.db2.gz MPCPXUDZQGWTTI-ZDUSSCGKSA-N 1 2 334.822 3.755 20 0 EHADLO CCCC1(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000462210155 1038844751 /nfs/dbraw/zinc/84/47/51/1038844751.db2.gz KNTUXCCNPPSCER-OAHLLOKOSA-N 1 2 335.517 3.717 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCC[C@@H]1C ZINC000488102721 1038859919 /nfs/dbraw/zinc/85/99/19/1038859919.db2.gz HKHASTUDYCDUIB-WMZOPIPTSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@H]1CCC[C@@H]1C ZINC000488102721 1038859939 /nfs/dbraw/zinc/85/99/39/1038859939.db2.gz HKHASTUDYCDUIB-WMZOPIPTSA-N 1 2 343.471 3.606 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000924730377 1038871431 /nfs/dbraw/zinc/87/14/31/1038871431.db2.gz RDYLQUDNHADAER-BBRMVZONSA-N 1 2 347.484 3.887 20 0 EHADLO Cc1nc2ccc(C[N@H+]3C[C@@H](C)O[C@@](C)(C(F)F)C3)cc2s1 ZINC000668821948 1038873311 /nfs/dbraw/zinc/87/33/11/1038873311.db2.gz ODONPJGKHUMMAL-QLJPJBMISA-N 1 2 326.412 3.849 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3C[C@@H](C)O[C@@](C)(C(F)F)C3)cc2s1 ZINC000668821948 1038873333 /nfs/dbraw/zinc/87/33/33/1038873333.db2.gz ODONPJGKHUMMAL-QLJPJBMISA-N 1 2 326.412 3.849 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@@](C)(C(F)F)O1 ZINC000668821851 1038878765 /nfs/dbraw/zinc/87/87/65/1038878765.db2.gz MMENHIUGESDYTO-XIKOKIGWSA-N 1 2 341.398 3.576 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@@](C)(C(F)F)O1 ZINC000668821851 1038878787 /nfs/dbraw/zinc/87/87/87/1038878787.db2.gz MMENHIUGESDYTO-XIKOKIGWSA-N 1 2 341.398 3.576 20 0 EHADLO Cc1nc(Cl)ccc1Cc1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000924247494 1038889623 /nfs/dbraw/zinc/88/96/23/1038889623.db2.gz XOGCFPKXZODWLH-KRWDZBQOSA-N 1 2 342.830 3.668 20 0 EHADLO CCCNC(=O)c1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124356917 1038899427 /nfs/dbraw/zinc/89/94/27/1038899427.db2.gz OPVLAXNBLOYNEA-UHFFFAOYSA-N 1 2 334.423 3.624 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@](C)(C(F)F)O1 ZINC000668826035 1038906695 /nfs/dbraw/zinc/90/66/95/1038906695.db2.gz ZXSIODPMZKBGHT-UGSOOPFHSA-N 1 2 349.381 3.513 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@](C)(C(F)F)O1 ZINC000668826035 1038906709 /nfs/dbraw/zinc/90/67/09/1038906709.db2.gz ZXSIODPMZKBGHT-UGSOOPFHSA-N 1 2 349.381 3.513 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000155469947 1038929798 /nfs/dbraw/zinc/92/97/98/1038929798.db2.gz SLYGEASPQHFASE-YJBOKZPZSA-N 1 2 325.456 3.904 20 0 EHADLO CCN(CC)c1ncc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000124568095 1038981743 /nfs/dbraw/zinc/98/17/43/1038981743.db2.gz CJBHGROXIZDHCC-UHFFFAOYSA-N 1 2 331.489 3.597 20 0 EHADLO CC(C)c1ccc(NC(=S)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000905618674 1039003835 /nfs/dbraw/zinc/00/38/35/1039003835.db2.gz BVTOYFCHESCANC-UHFFFAOYSA-N 1 2 348.541 3.815 20 0 EHADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000156530879 1039020210 /nfs/dbraw/zinc/02/02/10/1039020210.db2.gz WOPOSMAVODTIMN-QFBILLFUSA-N 1 2 348.450 3.681 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916327 1039048636 /nfs/dbraw/zinc/04/86/36/1039048636.db2.gz VYSFIPDNTCYCCU-AAEUAGOBSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279916327 1039048655 /nfs/dbraw/zinc/04/86/55/1039048655.db2.gz VYSFIPDNTCYCCU-AAEUAGOBSA-N 1 2 345.270 3.557 20 0 EHADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000910816907 1039093464 /nfs/dbraw/zinc/09/34/64/1039093464.db2.gz FZASZCCGQVSVHF-GFCCVEGCSA-N 1 2 337.345 3.517 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](C)C1CCCCC1 ZINC000155633055 1039093346 /nfs/dbraw/zinc/09/33/46/1039093346.db2.gz HTBACGKMWDTFDK-HNNXBMFYSA-N 1 2 345.487 3.772 20 0 EHADLO COc1ccc(C)cc1CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000478015146 1039119978 /nfs/dbraw/zinc/11/99/78/1039119978.db2.gz IZKYWNSBXUCYEA-UHFFFAOYSA-N 1 2 335.407 3.883 20 0 EHADLO CCn1c[nH+]cc1CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000668495255 1039126263 /nfs/dbraw/zinc/12/62/63/1039126263.db2.gz MZVYFNDKDNDTIU-UHFFFAOYSA-N 1 2 339.270 3.532 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(O)c(=O)c1 ZINC000663830852 1039154642 /nfs/dbraw/zinc/15/46/42/1039154642.db2.gz NIAQVKSKGLBXKM-QGZVFWFLSA-N 1 2 345.464 3.511 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(O)c(=O)c1 ZINC000663830852 1039154658 /nfs/dbraw/zinc/15/46/58/1039154658.db2.gz NIAQVKSKGLBXKM-QGZVFWFLSA-N 1 2 345.464 3.511 20 0 EHADLO CCCc1nc(C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)OC)cs1 ZINC000152036291 1039185977 /nfs/dbraw/zinc/18/59/77/1039185977.db2.gz DKQSIDALJJDHFE-DYVFJYSZSA-N 1 2 332.469 3.736 20 0 EHADLO CCCc1nc(C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)OC)cs1 ZINC000152036453 1039190788 /nfs/dbraw/zinc/19/07/88/1039190788.db2.gz DKQSIDALJJDHFE-GUYCJALGSA-N 1 2 332.469 3.736 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnn(C(C)(C)C)c2)C3)cc1 ZINC000488547088 1039263256 /nfs/dbraw/zinc/26/32/56/1039263256.db2.gz RZEFZCUISUSCIS-UHFFFAOYSA-N 1 2 349.482 3.691 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C3)cc1 ZINC000488547088 1039263265 /nfs/dbraw/zinc/26/32/65/1039263265.db2.gz RZEFZCUISUSCIS-UHFFFAOYSA-N 1 2 349.482 3.691 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000488571176 1039270504 /nfs/dbraw/zinc/27/05/04/1039270504.db2.gz FUZXGHPGXUIKBZ-BEFAXECRSA-N 1 2 342.870 3.692 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000668517239 1039276585 /nfs/dbraw/zinc/27/65/85/1039276585.db2.gz VECDAFSKTABYCQ-QZTJIDSGSA-N 1 2 341.430 3.634 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000552424337 1039288702 /nfs/dbraw/zinc/28/87/02/1039288702.db2.gz WSVATOOLPHFAQC-FCHUYYIVSA-N 1 2 349.478 3.993 20 0 EHADLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000552424337 1039288710 /nfs/dbraw/zinc/28/87/10/1039288710.db2.gz WSVATOOLPHFAQC-FCHUYYIVSA-N 1 2 349.478 3.993 20 0 EHADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000432805905 1039294917 /nfs/dbraw/zinc/29/49/17/1039294917.db2.gz NITGESHZOTVWAX-UHFFFAOYSA-N 1 2 338.245 3.612 20 0 EHADLO COC(=O)c1cccc(Br)c1C[N@H+]1CCCC2(CC2)C1 ZINC000432805905 1039294928 /nfs/dbraw/zinc/29/49/28/1039294928.db2.gz NITGESHZOTVWAX-UHFFFAOYSA-N 1 2 338.245 3.612 20 0 EHADLO O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000552508480 1039329417 /nfs/dbraw/zinc/32/94/17/1039329417.db2.gz LFBVKKDFZNGDAA-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO O[C@H](COc1ccccc1-n1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000554432720 1039337897 /nfs/dbraw/zinc/33/78/97/1039337897.db2.gz SGRJJDNWMZJFPW-INIZCTEOSA-N 1 2 328.799 3.508 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@H]1CCCc2ccccc21 ZINC000554464423 1039363573 /nfs/dbraw/zinc/36/35/73/1039363573.db2.gz WXOGVYKVDDCVJA-SFHVURJKSA-N 1 2 347.422 3.526 20 0 EHADLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646959 1039377443 /nfs/dbraw/zinc/37/74/43/1039377443.db2.gz ICDXVOFUXFTPRF-OALUTQOASA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485646959 1039377457 /nfs/dbraw/zinc/37/74/57/1039377457.db2.gz ICDXVOFUXFTPRF-OALUTQOASA-N 1 2 344.405 3.702 20 0 EHADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1ccco1 ZINC000051563584 1039387192 /nfs/dbraw/zinc/38/71/92/1039387192.db2.gz AHMPHXFGVHZYPY-HXUWFJFHSA-N 1 2 326.440 3.759 20 0 EHADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1ccco1 ZINC000051563584 1039387204 /nfs/dbraw/zinc/38/72/04/1039387204.db2.gz AHMPHXFGVHZYPY-HXUWFJFHSA-N 1 2 326.440 3.759 20 0 EHADLO Cc1ccnc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000898672245 1039400673 /nfs/dbraw/zinc/40/06/73/1039400673.db2.gz AVTLCQQQKHSAFR-UHFFFAOYSA-N 1 2 332.407 3.634 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000906242058 1039428247 /nfs/dbraw/zinc/42/82/47/1039428247.db2.gz ZAOXWOIFMLOMSB-OAHLLOKOSA-N 1 2 325.412 3.550 20 0 EHADLO Cc1ccc(-n2cc(C[N@@H+]3C[C@H](C)C[C@H]3c3cccnc3)nn2)cc1 ZINC000906296311 1039456153 /nfs/dbraw/zinc/45/61/53/1039456153.db2.gz KKBNWVHLZHFITD-UZLBHIALSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1ccc(-n2cc(C[N@H+]3C[C@H](C)C[C@H]3c3cccnc3)nn2)cc1 ZINC000906296311 1039456163 /nfs/dbraw/zinc/45/61/63/1039456163.db2.gz KKBNWVHLZHFITD-UZLBHIALSA-N 1 2 333.439 3.554 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485758964 1039501149 /nfs/dbraw/zinc/50/11/49/1039501149.db2.gz BHANIVBXHAJMTF-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485758964 1039501164 /nfs/dbraw/zinc/50/11/64/1039501164.db2.gz BHANIVBXHAJMTF-RBUKOAKNSA-N 1 2 344.405 3.757 20 0 EHADLO Cn1cc(Br)c(C[NH2+]C(C)(C)c2cccc(Cl)c2)n1 ZINC000432846477 1039529205 /nfs/dbraw/zinc/52/92/05/1039529205.db2.gz ODRHLHLRQUEZPJ-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485762608 1039537607 /nfs/dbraw/zinc/53/76/07/1039537607.db2.gz PXSBCSSOUOWFSB-SJORKVTESA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485762608 1039537620 /nfs/dbraw/zinc/53/76/20/1039537620.db2.gz PXSBCSSOUOWFSB-SJORKVTESA-N 1 2 338.442 3.899 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000613734620 1039537670 /nfs/dbraw/zinc/53/76/70/1039537670.db2.gz ZOBWKZTYRKQGPE-UHFFFAOYSA-N 1 2 336.794 3.984 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000613734620 1039537682 /nfs/dbraw/zinc/53/76/82/1039537682.db2.gz ZOBWKZTYRKQGPE-UHFFFAOYSA-N 1 2 336.794 3.984 20 0 EHADLO CCc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500857493 1039591045 /nfs/dbraw/zinc/59/10/45/1039591045.db2.gz HHMHVJOYGRLHMF-IBGZPJMESA-N 1 2 349.434 3.873 20 0 EHADLO CCc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500857493 1039591058 /nfs/dbraw/zinc/59/10/58/1039591058.db2.gz HHMHVJOYGRLHMF-IBGZPJMESA-N 1 2 349.434 3.873 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506018 1039618476 /nfs/dbraw/zinc/61/84/76/1039618476.db2.gz LOQTXNICAOLIGU-CRAIPNDOSA-N 1 2 344.430 3.799 20 0 EHADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480506018 1039618484 /nfs/dbraw/zinc/61/84/84/1039618484.db2.gz LOQTXNICAOLIGU-CRAIPNDOSA-N 1 2 344.430 3.799 20 0 EHADLO COc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(Cl)c1 ZINC000554725976 1039630740 /nfs/dbraw/zinc/63/07/40/1039630740.db2.gz PIWPZCDVSJLBMX-SFHVURJKSA-N 1 2 336.838 3.880 20 0 EHADLO CC(C)C[C@H](C(=O)N1CC2(CCC2)[C@H]1c1cccnc1)n1cc[nH+]c1 ZINC000912036386 1039638305 /nfs/dbraw/zinc/63/83/05/1039638305.db2.gz JQAUGCXBIJOAAL-QZTJIDSGSA-N 1 2 338.455 3.619 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c(C)[nH+]1 ZINC000906567493 1039650218 /nfs/dbraw/zinc/65/02/18/1039650218.db2.gz VSGKZPUNHYHXIS-KRWDZBQOSA-N 1 2 344.842 3.874 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000489134736 1039662483 /nfs/dbraw/zinc/66/24/83/1039662483.db2.gz YBGZPSQQBLMGCP-PIKOESSRSA-N 1 2 349.478 3.559 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)n1cc[nH+]c1 ZINC000898901858 1039679911 /nfs/dbraw/zinc/67/99/11/1039679911.db2.gz HLKBHCOPKMYDEB-RTBURBONSA-N 1 2 333.435 3.691 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000898904473 1039691118 /nfs/dbraw/zinc/69/11/18/1039691118.db2.gz GCHNCIGVOHNDHM-UHFFFAOYSA-N 1 2 345.752 3.720 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1C ZINC000667698002 1039707435 /nfs/dbraw/zinc/70/74/35/1039707435.db2.gz UNUJSLFIVILCSP-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1C ZINC000667698002 1039707452 /nfs/dbraw/zinc/70/74/52/1039707452.db2.gz UNUJSLFIVILCSP-INIZCTEOSA-N 1 2 349.276 3.532 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000553090922 1039753440 /nfs/dbraw/zinc/75/34/40/1039753440.db2.gz DTMZFYBNYUKNQT-QAPCUYQASA-N 1 2 330.447 3.611 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103000 1039753632 /nfs/dbraw/zinc/75/36/32/1039753632.db2.gz PTHDBEVFBNYHCX-LPHOPBHVSA-N 1 2 348.450 3.833 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000364103000 1039753647 /nfs/dbraw/zinc/75/36/47/1039753647.db2.gz PTHDBEVFBNYHCX-LPHOPBHVSA-N 1 2 348.450 3.833 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 ZINC000906842232 1039775438 /nfs/dbraw/zinc/77/54/38/1039775438.db2.gz VQPGAIMUIPFHST-MOPGFXCFSA-N 1 2 337.467 3.957 20 0 EHADLO CO[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1cccc(Cl)c1 ZINC000906841595 1039775767 /nfs/dbraw/zinc/77/57/67/1039775767.db2.gz QFCUSQDWPGJMCQ-MRXNPFEDSA-N 1 2 332.831 3.778 20 0 EHADLO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3c(C)cc(C)[nH+]c3C)c12 ZINC000097214060 1039778492 /nfs/dbraw/zinc/77/84/92/1039778492.db2.gz CDGQGAVUQVXDHR-UHFFFAOYSA-N 1 2 349.438 3.727 20 0 EHADLO Cc1noc2ncc(C[N@@H+](C)Cc3ccccc3Br)cc12 ZINC000893881147 1039785065 /nfs/dbraw/zinc/78/50/65/1039785065.db2.gz FMIZKMOFAGCNEB-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO Cc1noc2ncc(C[N@H+](C)Cc3ccccc3Br)cc12 ZINC000893881147 1039785082 /nfs/dbraw/zinc/78/50/82/1039785082.db2.gz FMIZKMOFAGCNEB-UHFFFAOYSA-N 1 2 346.228 3.926 20 0 EHADLO CCCN(CC(F)F)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000549755183 1039785974 /nfs/dbraw/zinc/78/59/74/1039785974.db2.gz QHSSUQLGLZQVAB-UHFFFAOYSA-N 1 2 332.822 3.666 20 0 EHADLO CCCN(CC(F)F)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000549755183 1039785991 /nfs/dbraw/zinc/78/59/91/1039785991.db2.gz QHSSUQLGLZQVAB-UHFFFAOYSA-N 1 2 332.822 3.666 20 0 EHADLO COCc1c(C)cc(C)c(C[N@H+](C)Cc2nccn2C(F)F)c1C ZINC000893948739 1039873594 /nfs/dbraw/zinc/87/35/94/1039873594.db2.gz YEQOWSHJIHAATP-UHFFFAOYSA-N 1 2 337.414 3.982 20 0 EHADLO COCc1c(C)cc(C)c(C[N@@H+](C)Cc2nccn2C(F)F)c1C ZINC000893948739 1039873620 /nfs/dbraw/zinc/87/36/20/1039873620.db2.gz YEQOWSHJIHAATP-UHFFFAOYSA-N 1 2 337.414 3.982 20 0 EHADLO CCc1nc(N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc(C)[nH+]1 ZINC000584797460 1039894282 /nfs/dbraw/zinc/89/42/82/1039894282.db2.gz NYWQKNOPPMPMLY-AEFFLSMTSA-N 1 2 325.456 3.931 20 0 EHADLO Cc1ccc(C)c(OCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000486156250 1039931493 /nfs/dbraw/zinc/93/14/93/1039931493.db2.gz KREKVWGEUDYJMX-UHFFFAOYSA-N 1 2 340.467 3.627 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2csc(C(C)(C)C)n2)c(C)[nH+]1 ZINC000907179032 1039960049 /nfs/dbraw/zinc/96/00/49/1039960049.db2.gz VTJVKQBWLZMAAV-UHFFFAOYSA-N 1 2 331.485 3.733 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)CCCn1cc[nH+]c1 ZINC000894020415 1039968405 /nfs/dbraw/zinc/96/84/05/1039968405.db2.gz UJXXCRZOGQFEQU-SJLPKXTDSA-N 1 2 325.456 3.847 20 0 EHADLO Cc1cc(NC(=O)NCC2(Sc3ccccc3)CC2)c(C)c[nH+]1 ZINC000534324808 1039991394 /nfs/dbraw/zinc/99/13/94/1039991394.db2.gz IXEJAFIYOGJVMW-UHFFFAOYSA-N 1 2 327.453 3.567 20 0 EHADLO CCCCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1[C@H](CC)[NH+](C)C ZINC000554969395 1040011819 /nfs/dbraw/zinc/01/18/19/1040011819.db2.gz MNEJVLCLFTYNBW-SOUVJXGZSA-N 1 2 340.537 3.751 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540397 1040060041 /nfs/dbraw/zinc/06/00/41/1040060041.db2.gz VPTFTJYFMOGQIU-IIMNLJJBSA-N 1 2 348.796 3.632 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(F)F ZINC000489540397 1040060054 /nfs/dbraw/zinc/06/00/54/1040060054.db2.gz VPTFTJYFMOGQIU-IIMNLJJBSA-N 1 2 348.796 3.632 20 0 EHADLO CC(C)C1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000553491636 1040106074 /nfs/dbraw/zinc/10/60/74/1040106074.db2.gz NXVJSYXQWAXVHN-SFHVURJKSA-N 1 2 325.456 3.826 20 0 EHADLO CCCCn1ncc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)c1C(C)C ZINC000907706673 1040136056 /nfs/dbraw/zinc/13/60/56/1040136056.db2.gz GYEMCOIHHSZOSE-UHFFFAOYSA-N 1 2 331.464 3.685 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)Nc1ccccc1 ZINC000907740313 1040141162 /nfs/dbraw/zinc/14/11/62/1040141162.db2.gz FLIZJIPXNVUDEP-UHFFFAOYSA-N 1 2 342.487 3.575 20 0 EHADLO CC(C)n1ncc2cc(CNc3ccc(N(C)C)c[nH+]3)c(Cl)nc21 ZINC000150896326 1040150444 /nfs/dbraw/zinc/15/04/44/1040150444.db2.gz KRGVROGWPFLUQZ-UHFFFAOYSA-N 1 2 344.850 3.739 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810608 1040178934 /nfs/dbraw/zinc/17/89/34/1040178934.db2.gz PNIAJIAOAGSZGK-MAUKXSAKSA-N 1 2 347.503 3.636 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810608 1040178937 /nfs/dbraw/zinc/17/89/37/1040178937.db2.gz PNIAJIAOAGSZGK-MAUKXSAKSA-N 1 2 347.503 3.636 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(CCF)CC1 ZINC000907814193 1040180172 /nfs/dbraw/zinc/18/01/72/1040180172.db2.gz FFFCQXPDHFBIAV-AWEZNQCLSA-N 1 2 333.451 3.571 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(CCF)CC1 ZINC000907814193 1040180184 /nfs/dbraw/zinc/18/01/84/1040180184.db2.gz FFFCQXPDHFBIAV-AWEZNQCLSA-N 1 2 333.451 3.571 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1=CCCCC1 ZINC000907813652 1040181017 /nfs/dbraw/zinc/18/10/17/1040181017.db2.gz CFYYUAWQGBYOBY-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1=CCCCC1 ZINC000907813652 1040181021 /nfs/dbraw/zinc/18/10/21/1040181021.db2.gz CFYYUAWQGBYOBY-MRXNPFEDSA-N 1 2 327.472 3.931 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(Br)cn2)c(C)[nH+]1 ZINC000907892779 1040218483 /nfs/dbraw/zinc/21/84/83/1040218483.db2.gz COIFZZKVPSNZBI-NSHDSACASA-N 1 2 348.244 3.655 20 0 EHADLO CCn1c[nH+]cc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000417761625 1040222747 /nfs/dbraw/zinc/22/27/47/1040222747.db2.gz HLUICZDKNGKKEQ-QGZVFWFLSA-N 1 2 337.427 3.680 20 0 EHADLO CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000489874980 1040232516 /nfs/dbraw/zinc/23/25/16/1040232516.db2.gz XPRIOUMMIKGPSJ-OALUTQOASA-N 1 2 339.483 3.641 20 0 EHADLO Cc1cccc(CC2(O)CCN(c3[nH+]ccc4c(N)cccc43)CC2)c1 ZINC000663865305 1040236195 /nfs/dbraw/zinc/23/61/95/1040236195.db2.gz CENWASOARYYQGW-UHFFFAOYSA-N 1 2 347.462 3.699 20 0 EHADLO COc1cccc([C@@H]([NH2+]Cc2cncn2C)c2ccccc2Cl)c1 ZINC000174458643 1040318319 /nfs/dbraw/zinc/31/83/19/1040318319.db2.gz CQWNTYXHEZLIER-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCCO[C@H](C(C)C)C1 ZINC000555265168 1040343920 /nfs/dbraw/zinc/34/39/20/1040343920.db2.gz SQGSYBRQVKCRPF-SFHVURJKSA-N 1 2 342.439 3.663 20 0 EHADLO Cc1c(C)c(C)c(C[N@H+](C)Cc2ncnn2CC(F)F)c(C)c1C ZINC000490133125 1040367221 /nfs/dbraw/zinc/36/72/21/1040367221.db2.gz OPVYXPLQLQAJBD-UHFFFAOYSA-N 1 2 336.430 3.717 20 0 EHADLO Cc1c(C)c(C)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c(C)c1C ZINC000490133125 1040367242 /nfs/dbraw/zinc/36/72/42/1040367242.db2.gz OPVYXPLQLQAJBD-UHFFFAOYSA-N 1 2 336.430 3.717 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000511649548 1040392763 /nfs/dbraw/zinc/39/27/63/1040392763.db2.gz SPZRMMXQLPHKMY-FPOVZHCZSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000511649548 1040392787 /nfs/dbraw/zinc/39/27/87/1040392787.db2.gz SPZRMMXQLPHKMY-FPOVZHCZSA-N 1 2 339.435 3.859 20 0 EHADLO CC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000479622532 1040457023 /nfs/dbraw/zinc/45/70/23/1040457023.db2.gz RXIVONWFBLEUAM-SAABIXHNSA-N 1 2 325.456 3.559 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CCCCC34CCCC4)[nH+]cn2)CC1 ZINC000663927284 1040487513 /nfs/dbraw/zinc/48/75/13/1040487513.db2.gz MOOLPACHDMSOJX-MRXNPFEDSA-N 1 2 344.503 3.743 20 0 EHADLO CC1(O)CCN(c2cc(N[C@@H]3CCCCC34CCCC4)nc[nH+]2)CC1 ZINC000663927284 1040487517 /nfs/dbraw/zinc/48/75/17/1040487517.db2.gz MOOLPACHDMSOJX-MRXNPFEDSA-N 1 2 344.503 3.743 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028931 1040501547 /nfs/dbraw/zinc/50/15/47/1040501547.db2.gz QNFCGDYMZXIQAG-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000433028931 1040501563 /nfs/dbraw/zinc/50/15/63/1040501563.db2.gz QNFCGDYMZXIQAG-MYODQAERSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030484 1040502678 /nfs/dbraw/zinc/50/26/78/1040502678.db2.gz WFBWILSLVIXRSA-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000433030484 1040502696 /nfs/dbraw/zinc/50/26/96/1040502696.db2.gz WFBWILSLVIXRSA-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152178549 1040512248 /nfs/dbraw/zinc/51/22/48/1040512248.db2.gz POFLRWCAKWCORN-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152178549 1040512261 /nfs/dbraw/zinc/51/22/61/1040512261.db2.gz POFLRWCAKWCORN-IBGZPJMESA-N 1 2 333.378 3.589 20 0 EHADLO CCc1nc([C@H]2CCCC[N@@H+]2CC/C=C/c2cncc(OC)c2)no1 ZINC000645779330 1040541846 /nfs/dbraw/zinc/54/18/46/1040541846.db2.gz YKRMBHGOBGQFEB-IOMDMTNGSA-N 1 2 342.443 3.666 20 0 EHADLO CCc1nc([C@H]2CCCC[N@H+]2CC/C=C/c2cncc(OC)c2)no1 ZINC000645779330 1040541864 /nfs/dbraw/zinc/54/18/64/1040541864.db2.gz YKRMBHGOBGQFEB-IOMDMTNGSA-N 1 2 342.443 3.666 20 0 EHADLO CCO[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000486920507 1040552480 /nfs/dbraw/zinc/55/24/80/1040552480.db2.gz NMYJLVDHKCGPDU-HXUWFJFHSA-N 1 2 349.434 3.688 20 0 EHADLO C[C@H](CSc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000600052280 1040553992 /nfs/dbraw/zinc/55/39/92/1040553992.db2.gz BUVZKIGLYQHFOT-MRXNPFEDSA-N 1 2 340.492 3.547 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000913158922 1040602807 /nfs/dbraw/zinc/60/28/07/1040602807.db2.gz LTANFBVCZVIBQG-CYBMUJFWSA-N 1 2 331.366 3.507 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3ccc(F)cc3C)ccc2[nH+]1 ZINC000486965268 1040610524 /nfs/dbraw/zinc/61/05/24/1040610524.db2.gz JXBLQCKQWPWROM-UHFFFAOYSA-N 1 2 326.375 3.754 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCc2nccnc2C1 ZINC000668735290 1040675351 /nfs/dbraw/zinc/67/53/51/1040675351.db2.gz ZIRYNFMSJYTKSU-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCc2nccnc2C1 ZINC000668735290 1040675356 /nfs/dbraw/zinc/67/53/56/1040675356.db2.gz ZIRYNFMSJYTKSU-UHFFFAOYSA-N 1 2 347.466 3.518 20 0 EHADLO C[S@](=O)CC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000828037346 1040746818 /nfs/dbraw/zinc/74/68/18/1040746818.db2.gz ZZJCYSJCKAKTNJ-GCJKJVERSA-N 1 2 333.884 3.818 20 0 EHADLO C[S@](=O)CC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000828037346 1040746824 /nfs/dbraw/zinc/74/68/24/1040746824.db2.gz ZZJCYSJCKAKTNJ-GCJKJVERSA-N 1 2 333.884 3.818 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000490916362 1040817606 /nfs/dbraw/zinc/81/76/06/1040817606.db2.gz GAUQVBMZLDQBPL-SJCJKPOMSA-N 1 2 346.862 3.749 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000500256943 1040830327 /nfs/dbraw/zinc/83/03/27/1040830327.db2.gz XVXFXVKUAQNELA-HXUWFJFHSA-N 1 2 344.405 3.957 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000500256943 1040830336 /nfs/dbraw/zinc/83/03/36/1040830336.db2.gz XVXFXVKUAQNELA-HXUWFJFHSA-N 1 2 344.405 3.957 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000668766573 1040837340 /nfs/dbraw/zinc/83/73/40/1040837340.db2.gz VAGDBPYEOGLINE-MRXNPFEDSA-N 1 2 336.357 3.902 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000668766573 1040837347 /nfs/dbraw/zinc/83/73/47/1040837347.db2.gz VAGDBPYEOGLINE-MRXNPFEDSA-N 1 2 336.357 3.902 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)n1 ZINC000600218480 1040862277 /nfs/dbraw/zinc/86/22/77/1040862277.db2.gz SJTGXRGUWNEUSZ-UHFFFAOYSA-N 1 2 346.377 3.706 20 0 EHADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157243623 1040873665 /nfs/dbraw/zinc/87/36/65/1040873665.db2.gz ZVGKHZYQGNYJLN-ZDUSSCGKSA-N 1 2 325.321 3.584 20 0 EHADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157243623 1040873681 /nfs/dbraw/zinc/87/36/81/1040873681.db2.gz ZVGKHZYQGNYJLN-ZDUSSCGKSA-N 1 2 325.321 3.584 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)nc1 ZINC000411476519 1040895098 /nfs/dbraw/zinc/89/50/98/1040895098.db2.gz USGWGXHRRKRMAN-UHFFFAOYSA-N 1 2 346.377 3.706 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000668782453 1040967713 /nfs/dbraw/zinc/96/77/13/1040967713.db2.gz UMKDQUXZHPYQAA-KRWDZBQOSA-N 1 2 341.499 3.647 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)C2CC2)o1 ZINC000613741576 1040973091 /nfs/dbraw/zinc/97/30/91/1040973091.db2.gz NQMLSCLDPZBMQR-UHFFFAOYSA-N 1 2 342.439 3.645 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)C2CC2)o1 ZINC000613741576 1040973116 /nfs/dbraw/zinc/97/31/16/1040973116.db2.gz NQMLSCLDPZBMQR-UHFFFAOYSA-N 1 2 342.439 3.645 20 0 EHADLO Cc1cc(CNc2cc([C@H]3CCCOC3)nn2C)c2c([nH+]1)CCCC2 ZINC000894125124 1040992566 /nfs/dbraw/zinc/99/25/66/1040992566.db2.gz CTFBNMFJYIZELL-HNNXBMFYSA-N 1 2 340.471 3.508 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487659696 1041016182 /nfs/dbraw/zinc/01/61/82/1041016182.db2.gz VPUWLRVOGWAPEQ-ROUUACIJSA-N 1 2 338.455 3.519 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000411615957 1041026906 /nfs/dbraw/zinc/02/69/06/1041026906.db2.gz IXDPSTMLQIZBRR-UWVGGRQHSA-N 1 2 343.258 3.880 20 0 EHADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000411615957 1041026919 /nfs/dbraw/zinc/02/69/19/1041026919.db2.gz IXDPSTMLQIZBRR-UWVGGRQHSA-N 1 2 343.258 3.880 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC4(CCC4)c4c3cccc4F)[nH+]c12 ZINC000586842008 1041036890 /nfs/dbraw/zinc/03/68/90/1041036890.db2.gz GXRIWUQPZUTENL-UHFFFAOYSA-N 1 2 349.409 3.793 20 0 EHADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000567748859 1041064390 /nfs/dbraw/zinc/06/43/90/1041064390.db2.gz LSFQNNRNIVGPRH-PJIJBLCYSA-N 1 2 330.403 3.537 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(C)n(Cc3ccccc3)c2=S)C1 ZINC000126231810 1041066540 /nfs/dbraw/zinc/06/65/40/1041066540.db2.gz LESFOASLUUSDIZ-INIZCTEOSA-N 1 2 330.501 3.850 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(C)n(Cc3ccccc3)c2=S)C1 ZINC000126231810 1041066565 /nfs/dbraw/zinc/06/65/65/1041066565.db2.gz LESFOASLUUSDIZ-INIZCTEOSA-N 1 2 330.501 3.850 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)c1 ZINC000055034100 1041100318 /nfs/dbraw/zinc/10/03/18/1041100318.db2.gz BRNQXVSUYWLFGY-INIZCTEOSA-N 1 2 328.485 3.932 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)c1 ZINC000055034100 1041100326 /nfs/dbraw/zinc/10/03/26/1041100326.db2.gz BRNQXVSUYWLFGY-INIZCTEOSA-N 1 2 328.485 3.932 20 0 EHADLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051992344 1041107026 /nfs/dbraw/zinc/10/70/26/1041107026.db2.gz ALLHCEXDFDUMEV-UHFFFAOYSA-N 1 2 343.423 3.726 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H](C)c1ccccc1)C2 ZINC000364391397 1041110938 /nfs/dbraw/zinc/11/09/38/1041110938.db2.gz ZQOHIMGETUJQJR-GOEBONIOSA-N 1 2 325.456 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000364391397 1041110945 /nfs/dbraw/zinc/11/09/45/1041110945.db2.gz ZQOHIMGETUJQJR-GOEBONIOSA-N 1 2 325.456 3.858 20 0 EHADLO Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667909499 1041134821 /nfs/dbraw/zinc/13/48/21/1041134821.db2.gz WJEQADRMAXSVFB-IAGOWNOFSA-N 1 2 332.407 3.533 20 0 EHADLO CC[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OC)cc1 ZINC000052038866 1041151993 /nfs/dbraw/zinc/15/19/93/1041151993.db2.gz UQWYOSVGZRVJMC-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OC)cc1 ZINC000052038866 1041152005 /nfs/dbraw/zinc/15/20/05/1041152005.db2.gz UQWYOSVGZRVJMC-UHFFFAOYSA-N 1 2 329.425 3.829 20 0 EHADLO Cc1[nH]c(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)[nH+]c1C ZINC000571106230 1041185318 /nfs/dbraw/zinc/18/53/18/1041185318.db2.gz BYVYYVWAQRFBEG-ZDUSSCGKSA-N 1 2 340.471 3.819 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000364402706 1041185560 /nfs/dbraw/zinc/18/55/60/1041185560.db2.gz KBEVWAWTOQEHHU-HNNXBMFYSA-N 1 2 340.379 3.935 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000364402706 1041185579 /nfs/dbraw/zinc/18/55/79/1041185579.db2.gz KBEVWAWTOQEHHU-HNNXBMFYSA-N 1 2 340.379 3.935 20 0 EHADLO Cn1c2ccc(C[NH2+]C3(C(F)F)CCCCC3)cc2sc1=O ZINC000512900248 1041188941 /nfs/dbraw/zinc/18/89/41/1041188941.db2.gz XDPLMNDZLJZFQX-UHFFFAOYSA-N 1 2 326.412 3.658 20 0 EHADLO Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000571134403 1041198404 /nfs/dbraw/zinc/19/84/04/1041198404.db2.gz RCXYMEHNIATLQH-INIZCTEOSA-N 1 2 335.407 3.970 20 0 EHADLO CC(C)CN(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000481656295 1041208305 /nfs/dbraw/zinc/20/83/05/1041208305.db2.gz KSXAPHGZUFVDBA-UHFFFAOYSA-N 1 2 340.471 3.751 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)Cc1ccccc1 ZINC000487961886 1041209489 /nfs/dbraw/zinc/20/94/89/1041209489.db2.gz XCGWFGJQZAVSPU-UHFFFAOYSA-N 1 2 338.451 3.986 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)Cc1ccccc1 ZINC000487961886 1041209506 /nfs/dbraw/zinc/20/95/06/1041209506.db2.gz XCGWFGJQZAVSPU-UHFFFAOYSA-N 1 2 338.451 3.986 20 0 EHADLO C[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000669188415 1041225911 /nfs/dbraw/zinc/22/59/11/1041225911.db2.gz WAYOKWQJLJYAEM-OXQOHEQNSA-N 1 2 345.446 3.905 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000194429888 1041271823 /nfs/dbraw/zinc/27/18/23/1041271823.db2.gz SPNNPFKTXVUZOP-GFCCVEGCSA-N 1 2 336.373 3.509 20 0 EHADLO CCC(CC)CCCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660427672 1041272886 /nfs/dbraw/zinc/27/28/86/1041272886.db2.gz BGBLRNBIYQVGQW-UHFFFAOYSA-N 1 2 346.519 3.908 20 0 EHADLO C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000660438666 1041368603 /nfs/dbraw/zinc/36/86/03/1041368603.db2.gz VKNZHGSRBYEYNJ-MRXNPFEDSA-N 1 2 344.503 3.566 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000500417368 1041411387 /nfs/dbraw/zinc/41/13/87/1041411387.db2.gz SHUXAMTXRIBANP-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000500417368 1041411392 /nfs/dbraw/zinc/41/13/92/1041411392.db2.gz SHUXAMTXRIBANP-MRXNPFEDSA-N 1 2 334.261 3.910 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000513044985 1041412185 /nfs/dbraw/zinc/41/21/85/1041412185.db2.gz AWLGLDKZOODQRP-KRWDZBQOSA-N 1 2 344.405 3.749 20 0 EHADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000513044985 1041412192 /nfs/dbraw/zinc/41/21/92/1041412192.db2.gz AWLGLDKZOODQRP-KRWDZBQOSA-N 1 2 344.405 3.749 20 0 EHADLO CCOc1ccccc1C1=CC[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC000111208202 1041534775 /nfs/dbraw/zinc/53/47/75/1041534775.db2.gz ZCJPTMZIPBSZOH-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccccc1C1=CC[N@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC000111208202 1041534785 /nfs/dbraw/zinc/53/47/85/1041534785.db2.gz ZCJPTMZIPBSZOH-AWEZNQCLSA-N 1 2 327.428 3.881 20 0 EHADLO c1sc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)nc1-c1ccccc1 ZINC000092937051 1041578651 /nfs/dbraw/zinc/57/86/51/1041578651.db2.gz YGZZYYSMDUGTOK-MRXNPFEDSA-N 1 2 330.453 3.538 20 0 EHADLO c1sc(C[N@H+]2CCCC[C@@H]2C2OCCO2)nc1-c1ccccc1 ZINC000092937051 1041578656 /nfs/dbraw/zinc/57/86/56/1041578656.db2.gz YGZZYYSMDUGTOK-MRXNPFEDSA-N 1 2 330.453 3.538 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+](C)Cc2c(C)nc3sccn23)oc1C ZINC000292926550 1041602784 /nfs/dbraw/zinc/60/27/84/1041602784.db2.gz MDZIQQDPJLOTCI-NSHDSACASA-N 1 2 347.440 3.585 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+](C)Cc2c(C)nc3sccn23)oc1C ZINC000292926550 1041602793 /nfs/dbraw/zinc/60/27/93/1041602793.db2.gz MDZIQQDPJLOTCI-NSHDSACASA-N 1 2 347.440 3.585 20 0 EHADLO CC1(C)C[C@@H]([N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561703 1041673614 /nfs/dbraw/zinc/67/36/14/1041673614.db2.gz VKGWAIULZRZVQQ-UKRRQHHQSA-N 1 2 345.361 3.526 20 0 EHADLO CC1(C)C[C@@H]([N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)CO1 ZINC000660561703 1041673622 /nfs/dbraw/zinc/67/36/22/1041673622.db2.gz VKGWAIULZRZVQQ-UKRRQHHQSA-N 1 2 345.361 3.526 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1[C@H]1CCCO1 ZINC000660564379 1041674933 /nfs/dbraw/zinc/67/49/33/1041674933.db2.gz UNQQKSGGUVBHKN-UKRRQHHQSA-N 1 2 329.362 3.817 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1[C@H]1CCCO1 ZINC000660564379 1041674937 /nfs/dbraw/zinc/67/49/37/1041674937.db2.gz UNQQKSGGUVBHKN-UKRRQHHQSA-N 1 2 329.362 3.817 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=S)n1C ZINC000026630083 1041722318 /nfs/dbraw/zinc/72/23/18/1041722318.db2.gz GTVXKTBSIFZATK-ZDUSSCGKSA-N 1 2 348.516 3.951 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=S)n1C ZINC000026630083 1041722325 /nfs/dbraw/zinc/72/23/25/1041722325.db2.gz GTVXKTBSIFZATK-ZDUSSCGKSA-N 1 2 348.516 3.951 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2nsc3ccccc32)C2CC2)c1 ZINC000660668940 1041764561 /nfs/dbraw/zinc/76/45/61/1041764561.db2.gz LCDLVHOSWSAGCD-UHFFFAOYSA-N 1 2 337.448 3.560 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2nsc3ccccc32)C2CC2)c1 ZINC000660668940 1041764570 /nfs/dbraw/zinc/76/45/70/1041764570.db2.gz LCDLVHOSWSAGCD-UHFFFAOYSA-N 1 2 337.448 3.560 20 0 EHADLO COc1ccc([C@H](C)C[N@H+](C)[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763896 1041812043 /nfs/dbraw/zinc/81/20/43/1041812043.db2.gz GZZPKVBDIASOLN-BEFAXECRSA-N 1 2 336.439 3.638 20 0 EHADLO COc1ccc([C@H](C)C[N@@H+](C)[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000660763896 1041812051 /nfs/dbraw/zinc/81/20/51/1041812051.db2.gz GZZPKVBDIASOLN-BEFAXECRSA-N 1 2 336.439 3.638 20 0 EHADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651646088 1041842216 /nfs/dbraw/zinc/84/22/16/1041842216.db2.gz NZEGRCHVVXXRIJ-RYUDHWBXSA-N 1 2 349.887 3.628 20 0 EHADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651646088 1041842221 /nfs/dbraw/zinc/84/22/21/1041842221.db2.gz NZEGRCHVVXXRIJ-RYUDHWBXSA-N 1 2 349.887 3.628 20 0 EHADLO Cc1csc([C@@H](C)CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)n1 ZINC000302146746 1041920151 /nfs/dbraw/zinc/92/01/51/1041920151.db2.gz RLHOQRGKAWQFFQ-OLZOCXBDSA-N 1 2 331.489 3.693 20 0 EHADLO Cc1csc([C@@H](C)CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)n1 ZINC000302146746 1041920160 /nfs/dbraw/zinc/92/01/60/1041920160.db2.gz RLHOQRGKAWQFFQ-OLZOCXBDSA-N 1 2 331.489 3.693 20 0 EHADLO Cc1csc(NC2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)n1 ZINC000302279055 1041937761 /nfs/dbraw/zinc/93/77/61/1041937761.db2.gz ULSALTGWAPWICQ-UHFFFAOYSA-N 1 2 343.500 3.510 20 0 EHADLO COc1ccccc1[C@H](CO)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651714083 1041953204 /nfs/dbraw/zinc/95/32/04/1041953204.db2.gz PDIDQFDQLPIVQH-CABCVRRESA-N 1 2 335.806 3.798 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1F ZINC000651733413 1041979010 /nfs/dbraw/zinc/97/90/10/1041979010.db2.gz HADLCOZHGBOFRB-AWEZNQCLSA-N 1 2 337.778 3.720 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1C ZINC000661170958 1041981180 /nfs/dbraw/zinc/98/11/80/1041981180.db2.gz KXZOHWGFSPBQGJ-MGPUTAFESA-N 1 2 341.455 3.915 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@@](C)(C4CC4)C3)o2)cc1C ZINC000661170958 1041981183 /nfs/dbraw/zinc/98/11/83/1041981183.db2.gz KXZOHWGFSPBQGJ-MGPUTAFESA-N 1 2 341.455 3.915 20 0 EHADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc(C)[nH+]1 ZINC000661329834 1042068391 /nfs/dbraw/zinc/06/83/91/1042068391.db2.gz FHMICRBULKBNKD-IRXDYDNUSA-N 1 2 345.487 3.624 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1cscn1 ZINC000661421989 1042113640 /nfs/dbraw/zinc/11/36/40/1042113640.db2.gz IBFYOIXWBSKUTO-KUHUBIRLSA-N 1 2 343.496 3.841 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccccc1Cl ZINC000066890569 1042210823 /nfs/dbraw/zinc/21/08/23/1042210823.db2.gz MEWZQILQEBLGAP-UHFFFAOYSA-N 1 2 340.814 3.525 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000047931447 1042267991 /nfs/dbraw/zinc/26/79/91/1042267991.db2.gz TZXCCYKACUPNKW-SECBINFHSA-N 1 2 337.807 3.709 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cc(C)cc(C)c1 ZINC000661721669 1042282000 /nfs/dbraw/zinc/28/20/00/1042282000.db2.gz UONIDKDVAJIWFE-UHFFFAOYSA-N 1 2 342.487 3.684 20 0 EHADLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000661739055 1042290400 /nfs/dbraw/zinc/29/04/00/1042290400.db2.gz XHRKFFFDUIOQCM-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)C2 ZINC000661739055 1042290401 /nfs/dbraw/zinc/29/04/01/1042290401.db2.gz XHRKFFFDUIOQCM-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCn1cc(Cl)cn1 ZINC000661735628 1042291476 /nfs/dbraw/zinc/29/14/76/1042291476.db2.gz IAXSZHIJIMXYBF-INIZCTEOSA-N 1 2 337.826 3.528 20 0 EHADLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCn1cc(Cl)cn1 ZINC000661735628 1042291478 /nfs/dbraw/zinc/29/14/78/1042291478.db2.gz IAXSZHIJIMXYBF-INIZCTEOSA-N 1 2 337.826 3.528 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCc2sc(Cl)cc21 ZINC000652328400 1042376219 /nfs/dbraw/zinc/37/62/19/1042376219.db2.gz FQCOKYCIICHLPI-ZDUSSCGKSA-N 1 2 349.887 3.671 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000626235096 1042393961 /nfs/dbraw/zinc/39/39/61/1042393961.db2.gz YZJFOXOYRLTJAD-RTBURBONSA-N 1 2 343.471 3.563 20 0 EHADLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661951415 1042427876 /nfs/dbraw/zinc/42/78/76/1042427876.db2.gz MYTLSVAYKQOEOI-LBPRGKRZSA-N 1 2 331.441 3.694 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000661984979 1042443463 /nfs/dbraw/zinc/44/34/63/1042443463.db2.gz DFIGTCLAVRFWEA-FUHWJXTLSA-N 1 2 344.503 3.543 20 0 EHADLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000662017122 1042463261 /nfs/dbraw/zinc/46/32/61/1042463261.db2.gz ODNPKFPDGWDJGK-MRXNPFEDSA-N 1 2 340.452 3.509 20 0 EHADLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000662017122 1042463264 /nfs/dbraw/zinc/46/32/64/1042463264.db2.gz ODNPKFPDGWDJGK-MRXNPFEDSA-N 1 2 340.452 3.509 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000662042317 1042477568 /nfs/dbraw/zinc/47/75/68/1042477568.db2.gz BPGRJMQEWHBJCZ-ZDUSSCGKSA-N 1 2 345.468 3.603 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652468603 1042492380 /nfs/dbraw/zinc/49/23/80/1042492380.db2.gz MCDPZZFDHOOYOR-GOSISDBHSA-N 1 2 337.467 3.762 20 0 EHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC000248498657 1042524688 /nfs/dbraw/zinc/52/46/88/1042524688.db2.gz MKSZRQJIDCGDRK-WYFGTUCQSA-N 1 2 346.240 3.900 20 0 EHADLO CC1(C)[C@@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1(F)F ZINC000663232928 1042579082 /nfs/dbraw/zinc/57/90/82/1042579082.db2.gz SBIRVQDYKMRYDU-CYBMUJFWSA-N 1 2 329.354 3.519 20 0 EHADLO CCCn1nccc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000663256702 1042602696 /nfs/dbraw/zinc/60/26/96/1042602696.db2.gz HNJNKOHTGGPPBZ-UHFFFAOYSA-N 1 2 346.328 3.579 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)CCC3CC3)c(=S)o2)cc1OC ZINC000162862888 1042603768 /nfs/dbraw/zinc/60/37/68/1042603768.db2.gz OIWMJFJQVUFPSK-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)CCC3CC3)c(=S)o2)cc1OC ZINC000162862888 1042603773 /nfs/dbraw/zinc/60/37/73/1042603773.db2.gz OIWMJFJQVUFPSK-UHFFFAOYSA-N 1 2 349.456 3.579 20 0 EHADLO CC(C)Cc1noc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000662213254 1042608569 /nfs/dbraw/zinc/60/85/69/1042608569.db2.gz WXGGMAILNVUSSQ-UHFFFAOYSA-N 1 2 339.439 3.709 20 0 EHADLO C[N@H+](CCC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000162886265 1042613047 /nfs/dbraw/zinc/61/30/47/1042613047.db2.gz XZHUAFBOOQQABM-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO C[N@@H+](CCC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000162886265 1042613059 /nfs/dbraw/zinc/61/30/59/1042613059.db2.gz XZHUAFBOOQQABM-UHFFFAOYSA-N 1 2 329.473 3.500 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H](CC(F)(F)F)O1 ZINC000662242684 1042628844 /nfs/dbraw/zinc/62/88/44/1042628844.db2.gz PEQKTYRPEOOQIF-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H](CC(F)(F)F)O1 ZINC000662242684 1042628845 /nfs/dbraw/zinc/62/88/45/1042628845.db2.gz PEQKTYRPEOOQIF-MFKMUULPSA-N 1 2 339.304 3.830 20 0 EHADLO Fc1ccc(C2CC([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)c(F)c1 ZINC000893559501 1042642657 /nfs/dbraw/zinc/64/26/57/1042642657.db2.gz KNXPZVJHKMOPRD-LEHRNKBSSA-N 1 2 340.377 3.708 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662289964 1042661855 /nfs/dbraw/zinc/66/18/55/1042661855.db2.gz BIFZHEKFEXKCRE-ZRGWGRIASA-N 1 2 336.435 3.592 20 0 EHADLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1Cc2ccccc2[C@H]1C ZINC000662289964 1042661857 /nfs/dbraw/zinc/66/18/57/1042661857.db2.gz BIFZHEKFEXKCRE-ZRGWGRIASA-N 1 2 336.435 3.592 20 0 EHADLO Clc1ccc2cccnc2c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000613886196 1042664141 /nfs/dbraw/zinc/66/41/41/1042664141.db2.gz HEGZGLQKJPNQTK-CQSZACIVSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc2cccnc2c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000613886196 1042664144 /nfs/dbraw/zinc/66/41/44/1042664144.db2.gz HEGZGLQKJPNQTK-CQSZACIVSA-N 1 2 326.831 3.991 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cs1 ZINC000165208055 1042670684 /nfs/dbraw/zinc/67/06/84/1042670684.db2.gz RGNYIKIHPLEKFS-VXGBXAGGSA-N 1 2 333.457 3.660 20 0 EHADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161611025 1042673154 /nfs/dbraw/zinc/67/31/54/1042673154.db2.gz HYYWTNMSEQIRKF-FUHWJXTLSA-N 1 2 325.456 3.658 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c(OC)c1 ZINC000165265639 1042757525 /nfs/dbraw/zinc/75/75/25/1042757525.db2.gz HXGVIOUGXNFUMB-RYUDHWBXSA-N 1 2 336.457 3.719 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000278870492 1042778974 /nfs/dbraw/zinc/77/89/74/1042778974.db2.gz HCATVZWFQBYKEI-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO COCc1ccc(CNc2nc(C)[nH+]c(C)c2Br)cc1 ZINC000663385241 1042782219 /nfs/dbraw/zinc/78/22/19/1042782219.db2.gz WBXOKKZLSAUECZ-UHFFFAOYSA-N 1 2 336.233 3.614 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NC3(CO)CCCC3)ccc21 ZINC001167805732 1042828126 /nfs/dbraw/zinc/82/81/26/1042828126.db2.gz DQMNXCWPVGWTLT-UHFFFAOYSA-N 1 2 337.423 3.751 20 0 EHADLO Cc1cc(CNc2ccccc2C[S@](C)=O)c2c([nH+]1)CCCC2 ZINC000893606195 1042858992 /nfs/dbraw/zinc/85/89/92/1042858992.db2.gz OHEOMQIGQYXUQZ-QHCPKHFHSA-N 1 2 328.481 3.759 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(Cl)c(Cl)c1 ZINC000314914095 1042881620 /nfs/dbraw/zinc/88/16/20/1042881620.db2.gz MDPSOOPSPDYWLI-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000343942540 1042897238 /nfs/dbraw/zinc/89/72/38/1042897238.db2.gz OUILEZGQQSQPSP-IBGZPJMESA-N 1 2 347.480 3.552 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000343942540 1042897242 /nfs/dbraw/zinc/89/72/42/1042897242.db2.gz OUILEZGQQSQPSP-IBGZPJMESA-N 1 2 347.480 3.552 20 0 EHADLO CC1(C)C[C@@]1(C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000663478046 1042907799 /nfs/dbraw/zinc/90/77/99/1042907799.db2.gz YMPBBEUTRYEARK-QFBILLFUSA-N 1 2 338.480 3.913 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000544664126 1043038782 /nfs/dbraw/zinc/03/87/82/1043038782.db2.gz CLFLTNLCYUHYSN-QGZVFWFLSA-N 1 2 326.444 3.737 20 0 EHADLO Cc1scc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000278963629 1043094473 /nfs/dbraw/zinc/09/44/73/1043094473.db2.gz NQUOWRLDTLSJRN-UHFFFAOYSA-N 1 2 343.496 3.918 20 0 EHADLO CCn1c2ccc(F)cc2[nH+]c1NCc1nc2ccc(F)cc2s1 ZINC000432411137 1043113887 /nfs/dbraw/zinc/11/38/87/1043113887.db2.gz VTWATCURGALLEI-UHFFFAOYSA-N 1 2 344.390 3.978 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC2CCC1CC2 ZINC000432427455 1043190591 /nfs/dbraw/zinc/19/05/91/1043190591.db2.gz YNUDPPNUXXQVBX-XUJLQICISA-N 1 2 333.501 3.894 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000344132223 1043304516 /nfs/dbraw/zinc/30/45/16/1043304516.db2.gz YLIUBUFHPPLUNB-HNNXBMFYSA-N 1 2 328.460 3.578 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000344132223 1043304523 /nfs/dbraw/zinc/30/45/23/1043304523.db2.gz YLIUBUFHPPLUNB-HNNXBMFYSA-N 1 2 328.460 3.578 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccsc1C(=O)OC)c1cccc(Cl)c1 ZINC000344240868 1043492773 /nfs/dbraw/zinc/49/27/73/1043492773.db2.gz UZULIDORKBFJIF-CQSZACIVSA-N 1 2 339.844 3.665 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000344343223 1043692955 /nfs/dbraw/zinc/69/29/55/1043692955.db2.gz ALJWHZHQAIOHKM-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(F)c(F)c(F)c1F ZINC000162763610 1043784924 /nfs/dbraw/zinc/78/49/24/1043784924.db2.gz CZTSGPOCOFGVDP-UHFFFAOYSA-N 1 2 335.260 3.885 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H]3COc4cccc(Cl)c43)ccc2[nH+]1 ZINC000344378313 1043841971 /nfs/dbraw/zinc/84/19/71/1043841971.db2.gz PBXRWRKQAISHFN-ZDUSSCGKSA-N 1 2 342.786 3.551 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000279435635 1044081962 /nfs/dbraw/zinc/08/19/62/1044081962.db2.gz HBNFRZCYALJJRL-BXWFABGCSA-N 1 2 325.456 3.705 20 0 EHADLO c1nc2ccccn2c1C[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC001203144273 1044084622 /nfs/dbraw/zinc/08/46/22/1044084622.db2.gz GJTPALHPQGGLEI-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO c1nc2ccccn2c1C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001203144273 1044084633 /nfs/dbraw/zinc/08/46/33/1044084633.db2.gz GJTPALHPQGGLEI-UHFFFAOYSA-N 1 2 328.419 3.932 20 0 EHADLO CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000096992516 1044113045 /nfs/dbraw/zinc/11/30/45/1044113045.db2.gz OXYVXTXOPFMFLN-MOPGFXCFSA-N 1 2 342.483 3.696 20 0 EHADLO Cc1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc[nH+]1 ZINC000010163176 1044155833 /nfs/dbraw/zinc/15/58/33/1044155833.db2.gz RRYSWILIKOACGL-UHFFFAOYSA-N 1 2 346.386 3.639 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc(F)cc(F)c3)n2)c1 ZINC000279519038 1044160876 /nfs/dbraw/zinc/16/08/76/1044160876.db2.gz ODKGPDCFZLSNSB-RYUDHWBXSA-N 1 2 343.381 3.865 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc[nH+]1 ZINC000010163229 1044175826 /nfs/dbraw/zinc/17/58/26/1044175826.db2.gz UQPVFWGFULNICD-UHFFFAOYSA-N 1 2 335.363 3.796 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(c3cccc[nH+]3)C[C@H]1C)CCC2 ZINC000344697021 1044296199 /nfs/dbraw/zinc/29/61/99/1044296199.db2.gz FYGYKYNJKJZSOE-LSTHTHJFSA-N 1 2 349.478 3.656 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCOc2ccc(C)cc2C1)c1ccccc1 ZINC000512238190 1044314847 /nfs/dbraw/zinc/31/48/47/1044314847.db2.gz YMGVGWHEZZJVMO-QGZVFWFLSA-N 1 2 338.451 3.631 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+]1CCOc2ccc(C)cc2C1)c1ccccc1 ZINC000512238190 1044314858 /nfs/dbraw/zinc/31/48/58/1044314858.db2.gz YMGVGWHEZZJVMO-QGZVFWFLSA-N 1 2 338.451 3.631 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccccc2OCC2CC2)cs1 ZINC000344715598 1044333077 /nfs/dbraw/zinc/33/30/77/1044333077.db2.gz YVJNIKHPCNWIBG-CYBMUJFWSA-N 1 2 332.469 3.929 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648273 1044363912 /nfs/dbraw/zinc/36/39/12/1044363912.db2.gz BJWPOYHDBMAJQI-SPYBWZPUSA-N 1 2 344.480 3.578 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3ccccc3)cs1)C[C@@H](C)O2 ZINC000279648273 1044363924 /nfs/dbraw/zinc/36/39/24/1044363924.db2.gz BJWPOYHDBMAJQI-SPYBWZPUSA-N 1 2 344.480 3.578 20 0 EHADLO COc1cc[nH+]c(Nc2cc(F)cc(Br)c2OC)c1 ZINC001211708264 1044479498 /nfs/dbraw/zinc/47/94/98/1044479498.db2.gz OUZNPZHTJUWDEH-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000051287940 1044485659 /nfs/dbraw/zinc/48/56/59/1044485659.db2.gz KKJPRBUPGPPSRB-GOSISDBHSA-N 1 2 345.389 3.593 20 0 EHADLO Cc1sccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000344877729 1044631801 /nfs/dbraw/zinc/63/18/01/1044631801.db2.gz UYBVUHJUQNARSG-UHFFFAOYSA-N 1 2 335.498 3.680 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc(C)ccc1C ZINC000637509832 1044713561 /nfs/dbraw/zinc/71/35/61/1044713561.db2.gz ZBALQLLYWRQPHI-HKUYNNGSSA-N 1 2 340.471 3.998 20 0 EHADLO CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000279876420 1044791724 /nfs/dbraw/zinc/79/17/24/1044791724.db2.gz DXFCEEOKDZHSQT-GDBMZVCRSA-N 1 2 327.428 3.919 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000614015849 1044816007 /nfs/dbraw/zinc/81/60/07/1044816007.db2.gz BZEONEUKILRQEB-ZIAGYGMSSA-N 1 2 339.414 3.521 20 0 EHADLO C[C@H]1C[C@@]1([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000500465611 1044878260 /nfs/dbraw/zinc/87/82/60/1044878260.db2.gz VRRQPCPAKCZQGV-LIRRHRJNSA-N 1 2 338.842 3.946 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000866620502 1137370368 /nfs/dbraw/zinc/37/03/68/1137370368.db2.gz OVKWPIYKKNVEMN-SSDOTTSWSA-N 1 2 333.276 3.827 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000183291365 1125512443 /nfs/dbraw/zinc/51/24/43/1125512443.db2.gz SXOOJILADGQCBM-UHFFFAOYSA-N 1 2 347.768 3.603 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000183291365 1125512446 /nfs/dbraw/zinc/51/24/46/1125512446.db2.gz SXOOJILADGQCBM-UHFFFAOYSA-N 1 2 347.768 3.603 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC000620502388 1125583300 /nfs/dbraw/zinc/58/33/00/1125583300.db2.gz QLPZFZIHXGAWCE-QGZVFWFLSA-N 1 2 347.462 3.921 20 0 EHADLO Cc1occc1C[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000620645881 1125620953 /nfs/dbraw/zinc/62/09/53/1125620953.db2.gz WUIZMISLOQGIFV-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1occc1C[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000620645881 1125620954 /nfs/dbraw/zinc/62/09/54/1125620954.db2.gz WUIZMISLOQGIFV-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccccc1-c1nc(C[NH+]2CCC(C3CCOCC3)CC2)no1 ZINC000153545786 1125629516 /nfs/dbraw/zinc/62/95/16/1125629516.db2.gz MGEKLOFYZBKZLB-UHFFFAOYSA-N 1 2 341.455 3.684 20 0 EHADLO CN(C[C@H]1CCc2ccccc21)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000620683879 1125643319 /nfs/dbraw/zinc/64/33/19/1125643319.db2.gz VNTJXTIRUPIVFD-HXUWFJFHSA-N 1 2 345.446 3.733 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C2CCCCC2)C1 ZINC000620694395 1125655801 /nfs/dbraw/zinc/65/58/01/1125655801.db2.gz VSPQAFKEJPBWKJ-QGZVFWFLSA-N 1 2 329.488 3.581 20 0 EHADLO CCc1oc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1C ZINC000154060975 1125688363 /nfs/dbraw/zinc/68/83/63/1125688363.db2.gz CJUJDZFMSCUSLL-UHFFFAOYSA-N 1 2 341.455 3.856 20 0 EHADLO CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000154887694 1125763916 /nfs/dbraw/zinc/76/39/16/1125763916.db2.gz ZPMVZYCPNVEJIY-QGZVFWFLSA-N 1 2 328.460 3.735 20 0 EHADLO CC(C)CCc1noc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000154887694 1125763921 /nfs/dbraw/zinc/76/39/21/1125763921.db2.gz ZPMVZYCPNVEJIY-QGZVFWFLSA-N 1 2 328.460 3.735 20 0 EHADLO O=C(NC1CCC2(CCCCC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000622548050 1126720406 /nfs/dbraw/zinc/72/04/06/1126720406.db2.gz ODYSEGYDBUUPDR-IBGZPJMESA-N 1 2 348.531 3.639 20 0 EHADLO O=C(NC1CCC2(CCCCC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000622548050 1126720408 /nfs/dbraw/zinc/72/04/08/1126720408.db2.gz ODYSEGYDBUUPDR-IBGZPJMESA-N 1 2 348.531 3.639 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983077 1126731517 /nfs/dbraw/zinc/73/15/17/1126731517.db2.gz HCXZUTLBMXOECU-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000184983077 1126731521 /nfs/dbraw/zinc/73/15/21/1126731521.db2.gz HCXZUTLBMXOECU-ZFWWWQNUSA-N 1 2 331.489 3.574 20 0 EHADLO COCC1=CC[N@H+](Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 ZINC000185039819 1126747085 /nfs/dbraw/zinc/74/70/85/1126747085.db2.gz ACWVELYTUBTSFS-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO COCC1=CC[N@@H+](Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 ZINC000185039819 1126747089 /nfs/dbraw/zinc/74/70/89/1126747089.db2.gz ACWVELYTUBTSFS-UHFFFAOYSA-N 1 2 343.496 3.861 20 0 EHADLO c1csc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000171119139 1126751751 /nfs/dbraw/zinc/75/17/51/1126751751.db2.gz QPKDTHGIKCSQLA-CQSZACIVSA-N 1 2 327.453 3.806 20 0 EHADLO c1csc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000171119139 1126751754 /nfs/dbraw/zinc/75/17/54/1126751754.db2.gz QPKDTHGIKCSQLA-CQSZACIVSA-N 1 2 327.453 3.806 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185151242 1126781615 /nfs/dbraw/zinc/78/16/15/1126781615.db2.gz BDADHIUQHFGWNP-CQSZACIVSA-N 1 2 340.492 3.540 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185151242 1126781616 /nfs/dbraw/zinc/78/16/16/1126781616.db2.gz BDADHIUQHFGWNP-CQSZACIVSA-N 1 2 340.492 3.540 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cccc(C)c1 ZINC000192258456 1126788935 /nfs/dbraw/zinc/78/89/35/1126788935.db2.gz VPCFJYWOOUYHKF-UHFFFAOYSA-N 1 2 327.472 3.625 20 0 EHADLO COc1ccccc1C(C)(C)[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000072607556 1126798581 /nfs/dbraw/zinc/79/85/81/1126798581.db2.gz IUYZHXYGRSSNSR-UHFFFAOYSA-N 1 2 341.386 3.909 20 0 EHADLO CCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000172582439 1126800368 /nfs/dbraw/zinc/80/03/68/1126800368.db2.gz BSVNLJSAUXIFJT-OAHLLOKOSA-N 1 2 345.270 3.823 20 0 EHADLO CCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000172582439 1126800371 /nfs/dbraw/zinc/80/03/71/1126800371.db2.gz BSVNLJSAUXIFJT-OAHLLOKOSA-N 1 2 345.270 3.823 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000339439918 1126844190 /nfs/dbraw/zinc/84/41/90/1126844190.db2.gz ZDDZUHJAPRXEAN-HDMKZQKVSA-N 1 2 345.874 3.825 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000623121842 1126880308 /nfs/dbraw/zinc/88/03/08/1126880308.db2.gz OVDRTWYECLUZEF-MRXNPFEDSA-N 1 2 342.405 3.797 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000623121842 1126880313 /nfs/dbraw/zinc/88/03/13/1126880313.db2.gz OVDRTWYECLUZEF-MRXNPFEDSA-N 1 2 342.405 3.797 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623232173 1126899603 /nfs/dbraw/zinc/89/96/03/1126899603.db2.gz XHHVWRXMVCXHSU-XIKOKIGWSA-N 1 2 344.842 3.713 20 0 EHADLO COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1OCc1ccccc1 ZINC000623234461 1126900960 /nfs/dbraw/zinc/90/09/60/1126900960.db2.gz KARHOKRZXBYAGY-UHFFFAOYSA-N 1 2 349.434 3.556 20 0 EHADLO COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1OCc1ccccc1 ZINC000623234461 1126900962 /nfs/dbraw/zinc/90/09/62/1126900962.db2.gz KARHOKRZXBYAGY-UHFFFAOYSA-N 1 2 349.434 3.556 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(c2ccccc2)CCCCCC1 ZINC000623296976 1126910423 /nfs/dbraw/zinc/91/04/23/1126910423.db2.gz VDNKSSPTMCIVRB-GOSISDBHSA-N 1 2 337.467 3.606 20 0 EHADLO O=C(Cc1ccc(C2CCCCC2)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297881 1126910685 /nfs/dbraw/zinc/91/06/85/1126910685.db2.gz PLRXPTDEKFJCTR-IBGZPJMESA-N 1 2 337.467 3.605 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000072915830 1126925964 /nfs/dbraw/zinc/92/59/64/1126925964.db2.gz RPRFEUJCMYDNGP-ZBFHGGJFSA-N 1 2 335.517 3.613 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000072915830 1126925966 /nfs/dbraw/zinc/92/59/66/1126925966.db2.gz RPRFEUJCMYDNGP-ZBFHGGJFSA-N 1 2 335.517 3.613 20 0 EHADLO CC1CCC(C)(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000354787748 1126931010 /nfs/dbraw/zinc/93/10/10/1126931010.db2.gz LGFJVBOUOUZNCC-WUJZJPHMSA-N 1 2 332.492 3.526 20 0 EHADLO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422227 1126950844 /nfs/dbraw/zinc/95/08/44/1126950844.db2.gz NKQLVEBYPSDARB-XLIONFOSSA-N 1 2 329.532 3.674 20 0 EHADLO C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515961 1126973283 /nfs/dbraw/zinc/97/32/83/1126973283.db2.gz XUEJOPPDXARWIQ-PMACEKPBSA-N 1 2 343.559 3.750 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178180655 1127012011 /nfs/dbraw/zinc/01/20/11/1127012011.db2.gz ZTNJIWAMXIHLJF-UHFFFAOYSA-N 1 2 338.411 3.753 20 0 EHADLO O=C(CCSc1ccccc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178353879 1127015565 /nfs/dbraw/zinc/01/55/65/1127015565.db2.gz IYIHICUZVCNLKS-UHFFFAOYSA-N 1 2 345.855 3.786 20 0 EHADLO COCc1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1OC ZINC000623789636 1127163215 /nfs/dbraw/zinc/16/32/15/1127163215.db2.gz CYUCZTGNENSSEM-UHFFFAOYSA-N 1 2 337.423 3.948 20 0 EHADLO CCc1ccnc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000180831755 1127189299 /nfs/dbraw/zinc/18/92/99/1127189299.db2.gz FDXGTBMCJKPZGV-UHFFFAOYSA-N 1 2 344.484 3.585 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623866206 1127201772 /nfs/dbraw/zinc/20/17/72/1127201772.db2.gz OGAFPDPWGFOBDV-CJNGLKHVSA-N 1 2 343.496 3.839 20 0 EHADLO C[C@@H]1CN(c2ccc(N[C@H]3CCCc4scnc43)c[nH+]2)C[C@H](C)O1 ZINC000623954694 1127221558 /nfs/dbraw/zinc/22/15/58/1127221558.db2.gz XPCBGLAMOGPOIS-GUTXKFCHSA-N 1 2 344.484 3.641 20 0 EHADLO Cc1ccc(C(C)(C)C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)nc1 ZINC000624112238 1127253910 /nfs/dbraw/zinc/25/39/10/1127253910.db2.gz QPDIXJIHGCJMTI-QGZVFWFLSA-N 1 2 327.476 3.697 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCC2(C(F)(F)F)CCCC2)c[nH+]1 ZINC000624178641 1127275660 /nfs/dbraw/zinc/27/56/60/1127275660.db2.gz VZWXLSLBHWOINQ-UHFFFAOYSA-N 1 2 329.366 3.620 20 0 EHADLO CCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(F)cc1F ZINC000181673339 1127288698 /nfs/dbraw/zinc/28/86/98/1127288698.db2.gz YTBNAXFCHXOZEJ-KRWDZBQOSA-N 1 2 343.381 3.572 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000181704107 1127290160 /nfs/dbraw/zinc/29/01/60/1127290160.db2.gz UVESJOJEUOMYBO-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000181704107 1127290162 /nfs/dbraw/zinc/29/01/62/1127290162.db2.gz UVESJOJEUOMYBO-QGZVFWFLSA-N 1 2 337.435 3.711 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000182005943 1127308238 /nfs/dbraw/zinc/30/82/38/1127308238.db2.gz NHQMEWOQMPJJBM-UKRRQHHQSA-N 1 2 325.474 3.632 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000182005943 1127308242 /nfs/dbraw/zinc/30/82/42/1127308242.db2.gz NHQMEWOQMPJJBM-UKRRQHHQSA-N 1 2 325.474 3.632 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182886842 1127352397 /nfs/dbraw/zinc/35/23/97/1127352397.db2.gz ISTDXXTXPXJCTE-CYBMUJFWSA-N 1 2 346.500 3.980 20 0 EHADLO COc1ccccc1C[NH+]1CCN(Cc2ncc(C(C)C)s2)CC1 ZINC000183043294 1127360135 /nfs/dbraw/zinc/36/01/35/1127360135.db2.gz DHEQCZMCFGLRCD-UHFFFAOYSA-N 1 2 345.512 3.593 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+](C)C[C@H](C)c2nccs2)no1 ZINC000183929527 1127389285 /nfs/dbraw/zinc/38/92/85/1127389285.db2.gz IAZULXGYOWBJOJ-ZDUSSCGKSA-N 1 2 328.441 3.737 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+](C)C[C@H](C)c2nccs2)no1 ZINC000183929527 1127389289 /nfs/dbraw/zinc/38/92/89/1127389289.db2.gz IAZULXGYOWBJOJ-ZDUSSCGKSA-N 1 2 328.441 3.737 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000184138370 1127395559 /nfs/dbraw/zinc/39/55/59/1127395559.db2.gz YHXIQZPJBNNNQL-NEPJUHHUSA-N 1 2 337.876 3.633 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184480325 1127406015 /nfs/dbraw/zinc/40/60/15/1127406015.db2.gz VFUMXPPLYADYFE-ZDUSSCGKSA-N 1 2 337.533 3.788 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccc(C)o1 ZINC000184672329 1127411289 /nfs/dbraw/zinc/41/12/89/1127411289.db2.gz WFRKPVQWEWTKOJ-QGZVFWFLSA-N 1 2 330.428 3.627 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](CC)C(=O)Nc2ccc(OC)cc2)cs1 ZINC000184703789 1127411826 /nfs/dbraw/zinc/41/18/26/1127411826.db2.gz VYMNUEYKANUUPP-DOMZBBRYSA-N 1 2 347.484 3.782 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C)c1nccs1 ZINC000185069739 1127420097 /nfs/dbraw/zinc/42/00/97/1127420097.db2.gz KEBOAPTZDVXXNB-IAGOWNOFSA-N 1 2 345.512 3.740 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C2CC2)cc1 ZINC000194013834 1127450340 /nfs/dbraw/zinc/45/03/40/1127450340.db2.gz NXUUZZZCXSLWIU-NRFANRHFSA-N 1 2 349.434 3.910 20 0 EHADLO O=C(COC/C=C/c1ccccc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000764208247 1127463971 /nfs/dbraw/zinc/46/39/71/1127463971.db2.gz NPARMHWQGBWSTE-QPJJXVBHSA-N 1 2 348.402 3.646 20 0 EHADLO COC(=O)c1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1Cl ZINC000382540009 1127512803 /nfs/dbraw/zinc/51/28/03/1127512803.db2.gz STZQRCUNYPXBEJ-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO COC(=O)c1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1Cl ZINC000382540009 1127512805 /nfs/dbraw/zinc/51/28/05/1127512805.db2.gz STZQRCUNYPXBEJ-UHFFFAOYSA-N 1 2 333.737 3.821 20 0 EHADLO C[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)CC1 ZINC000764947776 1127556629 /nfs/dbraw/zinc/55/66/29/1127556629.db2.gz WXOQEEAZXYKJNP-OAHLLOKOSA-N 1 2 346.500 3.610 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)CC1 ZINC000764947776 1127556632 /nfs/dbraw/zinc/55/66/32/1127556632.db2.gz WXOQEEAZXYKJNP-OAHLLOKOSA-N 1 2 346.500 3.610 20 0 EHADLO Cn1c(COc2ccccc2)nn(C[NH+]2CCC(C)(C)CC2)c1=S ZINC000764961965 1127559861 /nfs/dbraw/zinc/55/98/61/1127559861.db2.gz IWSXGGWJLNIRCA-UHFFFAOYSA-N 1 2 346.500 3.610 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000010767313 1127633091 /nfs/dbraw/zinc/63/30/91/1127633091.db2.gz BSCSBDLJNLSGRY-CYBMUJFWSA-N 1 2 330.453 3.532 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000010767313 1127633093 /nfs/dbraw/zinc/63/30/93/1127633093.db2.gz BSCSBDLJNLSGRY-CYBMUJFWSA-N 1 2 330.453 3.532 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(C(C)C)n2)cc1OC(F)F ZINC000172011813 1127657948 /nfs/dbraw/zinc/65/79/48/1127657948.db2.gz YTNBKGRSNUIUOW-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(C(C)C)n2)cc1OC(F)F ZINC000172011813 1127657951 /nfs/dbraw/zinc/65/79/51/1127657951.db2.gz YTNBKGRSNUIUOW-UHFFFAOYSA-N 1 2 339.386 3.706 20 0 EHADLO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000102184651 1127664917 /nfs/dbraw/zinc/66/49/17/1127664917.db2.gz DWNKUCPRWAJXNW-UHFFFAOYSA-N 1 2 344.418 3.876 20 0 EHADLO COc1cc(OC)c(OC)cc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000022815642 1127692487 /nfs/dbraw/zinc/69/24/87/1127692487.db2.gz ZULKALABXZTCDF-UHFFFAOYSA-N 1 2 331.416 3.546 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000024250270 1127704125 /nfs/dbraw/zinc/70/41/25/1127704125.db2.gz GQJJIGMTVBOTJR-KBPBESRZSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000024250270 1127704129 /nfs/dbraw/zinc/70/41/29/1127704129.db2.gz GQJJIGMTVBOTJR-KBPBESRZSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000024250267 1127704253 /nfs/dbraw/zinc/70/42/53/1127704253.db2.gz GQJJIGMTVBOTJR-KGLIPLIRSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000024250267 1127704257 /nfs/dbraw/zinc/70/42/57/1127704257.db2.gz GQJJIGMTVBOTJR-KGLIPLIRSA-N 1 2 344.405 3.935 20 0 EHADLO C[C@@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1nccn1C ZINC000624289196 1127784875 /nfs/dbraw/zinc/78/48/75/1127784875.db2.gz HBEWLXURIZLQLQ-YGRLFVJLSA-N 1 2 328.243 3.501 20 0 EHADLO O=C(CCc1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029558459 1127802745 /nfs/dbraw/zinc/80/27/45/1127802745.db2.gz KFBUTUOZTJFJGE-UHFFFAOYSA-N 1 2 343.858 3.584 20 0 EHADLO Cc1cc(C)c(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000029951204 1127812054 /nfs/dbraw/zinc/81/20/54/1127812054.db2.gz VECDSLFLWZADAJ-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)oc1C ZINC000338586020 1127866145 /nfs/dbraw/zinc/86/61/45/1127866145.db2.gz CBOFBRJKASGVSO-GOSISDBHSA-N 1 2 335.350 3.584 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)oc1C ZINC000338586020 1127866146 /nfs/dbraw/zinc/86/61/46/1127866146.db2.gz CBOFBRJKASGVSO-GOSISDBHSA-N 1 2 335.350 3.584 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(Cl)c1Cl ZINC000043264084 1127915282 /nfs/dbraw/zinc/91/52/82/1127915282.db2.gz QCPCVGCMXSCZGX-UHFFFAOYSA-N 1 2 325.199 3.622 20 0 EHADLO O=C(NCc1ccsc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043499865 1127920758 /nfs/dbraw/zinc/92/07/58/1127920758.db2.gz GMXFXTZAYZJMGE-UHFFFAOYSA-N 1 2 336.486 3.512 20 0 EHADLO Cc1csc(CCCCNC(=O)Nc2ccc3[nH+]c(C)cn3c2)n1 ZINC000265676769 1127969048 /nfs/dbraw/zinc/96/90/48/1127969048.db2.gz AVGVZRPPZBEKPF-UHFFFAOYSA-N 1 2 343.456 3.552 20 0 EHADLO COc1ccc2nc(NCc3cc[nH+]c(N4CCCC4)c3)c(C)nc2c1 ZINC000338642569 1127967785 /nfs/dbraw/zinc/96/77/85/1127967785.db2.gz QEQHHGIEDXCUSJ-UHFFFAOYSA-N 1 2 349.438 3.554 20 0 EHADLO Cc1ccccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046342055 1127976038 /nfs/dbraw/zinc/97/60/38/1127976038.db2.gz SHJJQTNOORTGAJ-IRXDYDNUSA-N 1 2 338.451 3.857 20 0 EHADLO CCc1sc(NC(=O)CCc2c[nH]c[nH+]2)nc1-c1ccccc1 ZINC000351716915 1127990153 /nfs/dbraw/zinc/99/01/53/1127990153.db2.gz GJAXMJHRMLZNCF-UHFFFAOYSA-N 1 2 326.425 3.667 20 0 EHADLO CCc1sc(NC(=O)CCc2c[nH+]c[nH]2)nc1-c1ccccc1 ZINC000351716915 1127990157 /nfs/dbraw/zinc/99/01/57/1127990157.db2.gz GJAXMJHRMLZNCF-UHFFFAOYSA-N 1 2 326.425 3.667 20 0 EHADLO CN(Cc1ccc2ccccc2c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944391 1127995786 /nfs/dbraw/zinc/99/57/86/1127995786.db2.gz NZONKCVVFZHJTJ-UHFFFAOYSA-N 1 2 348.450 3.878 20 0 EHADLO Nc1cc(Cl)cc(Cl)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362212 1127996296 /nfs/dbraw/zinc/99/62/96/1127996296.db2.gz GNZLBLYSHVTAFI-UHFFFAOYSA-N 1 2 339.226 3.551 20 0 EHADLO O=C(NC[C@H]1CCCc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047250472 1128003873 /nfs/dbraw/zinc/00/38/73/1128003873.db2.gz JEZVTLUEJGZMKB-HXUWFJFHSA-N 1 2 345.446 3.781 20 0 EHADLO Clc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c2cccnc12 ZINC001212362949 1128007705 /nfs/dbraw/zinc/00/77/05/1128007705.db2.gz WPFUGVWHKRUOHL-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cs1 ZINC000671700976 1128011739 /nfs/dbraw/zinc/01/17/39/1128011739.db2.gz PQPSDMNYMMJACA-AWEZNQCLSA-N 1 2 330.453 3.702 20 0 EHADLO CC(C)C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000047500329 1128009388 /nfs/dbraw/zinc/00/93/88/1128009388.db2.gz YVSVQVJISVVIPR-KRWDZBQOSA-N 1 2 326.444 3.580 20 0 EHADLO Cc1ccc([C@@H](NC(=O)NCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000047597934 1128012009 /nfs/dbraw/zinc/01/20/09/1128012009.db2.gz HHILVKMIZMLGQG-FQEVSTJZSA-N 1 2 348.450 3.670 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCS1 ZINC000350629727 1128029685 /nfs/dbraw/zinc/02/96/85/1128029685.db2.gz RIMJCJFVZZRFHH-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCS1 ZINC000350629727 1128029689 /nfs/dbraw/zinc/02/96/89/1128029689.db2.gz RIMJCJFVZZRFHH-SECBINFHSA-N 1 2 344.267 3.981 20 0 EHADLO Fc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1-c1cccs1 ZINC000347520727 1128033886 /nfs/dbraw/zinc/03/38/86/1128033886.db2.gz OWVTXDIZIXBBGD-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1-c1cccs1 ZINC000347520727 1128033890 /nfs/dbraw/zinc/03/38/90/1128033890.db2.gz OWVTXDIZIXBBGD-GOSISDBHSA-N 1 2 333.428 3.546 20 0 EHADLO CC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000057242400 1128042542 /nfs/dbraw/zinc/04/25/42/1128042542.db2.gz HBNGDDNJUSXVGS-OAHLLOKOSA-N 1 2 344.484 3.562 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000347538153 1128055886 /nfs/dbraw/zinc/05/58/86/1128055886.db2.gz KPTVWHMQMBSDDQ-HNNXBMFYSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000347538153 1128055891 /nfs/dbraw/zinc/05/58/91/1128055891.db2.gz KPTVWHMQMBSDDQ-HNNXBMFYSA-N 1 2 327.384 3.921 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncnc3sc(C)c(C)c32)c1C ZINC000058544934 1128072078 /nfs/dbraw/zinc/07/20/78/1128072078.db2.gz YQCOETKZKNMIAT-UHFFFAOYSA-N 1 2 342.468 3.965 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000058660147 1128076198 /nfs/dbraw/zinc/07/61/98/1128076198.db2.gz SYGVSMKDFQNKAW-UHFFFAOYSA-N 1 2 337.467 3.584 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccn1 ZINC000347555642 1128082575 /nfs/dbraw/zinc/08/25/75/1128082575.db2.gz HKSQOAVLKJLMLG-UONOGXRCSA-N 1 2 338.411 3.860 20 0 EHADLO Cc1ncccc1-c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000347561862 1128089725 /nfs/dbraw/zinc/08/97/25/1128089725.db2.gz NCRZTXSOEQJYRH-RMKNXTFCSA-N 1 2 329.363 3.796 20 0 EHADLO O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282220174 1128100477 /nfs/dbraw/zinc/10/04/77/1128100477.db2.gz HEZSOEIRGXABNQ-ZDUSSCGKSA-N 1 2 345.393 3.517 20 0 EHADLO Cc1ccc(C)c(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000060879998 1128115676 /nfs/dbraw/zinc/11/56/76/1128115676.db2.gz UZJHVOYXQUZXLR-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c1ccc2ccccc2c1 ZINC000064635247 1128172150 /nfs/dbraw/zinc/17/21/50/1128172150.db2.gz DCDWTYKRSXEWIL-ZDUSSCGKSA-N 1 2 338.373 3.901 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c1ccc2ccccc2c1 ZINC000064635247 1128172151 /nfs/dbraw/zinc/17/21/51/1128172151.db2.gz DCDWTYKRSXEWIL-ZDUSSCGKSA-N 1 2 338.373 3.901 20 0 EHADLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000671749334 1128199174 /nfs/dbraw/zinc/19/91/74/1128199174.db2.gz LLDWVFFWSWEJTK-INIZCTEOSA-N 1 2 325.437 3.504 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccs2)oc1C ZINC000067653544 1128246173 /nfs/dbraw/zinc/24/61/73/1128246173.db2.gz VIMZURBPQGYFAN-OAHLLOKOSA-N 1 2 347.484 3.544 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2cccs2)oc1C ZINC000067653544 1128246176 /nfs/dbraw/zinc/24/61/76/1128246176.db2.gz VIMZURBPQGYFAN-OAHLLOKOSA-N 1 2 347.484 3.544 20 0 EHADLO Cc1ccccc1NCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065729522 1128199708 /nfs/dbraw/zinc/19/97/08/1128199708.db2.gz YKJKARWPCWQQLQ-UHFFFAOYSA-N 1 2 338.386 3.761 20 0 EHADLO O=C(CCOc1ccccc1Cl)NCCCCNc1cccc[nH+]1 ZINC000068422512 1128266223 /nfs/dbraw/zinc/26/62/23/1128266223.db2.gz ATUYQPZNJCQEMQ-UHFFFAOYSA-N 1 2 347.846 3.512 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cn(-c2ccccc2)nn1 ZINC000671753351 1128214296 /nfs/dbraw/zinc/21/42/96/1128214296.db2.gz LVASKBOBXAHMCW-QWHCGFSZSA-N 1 2 349.394 3.526 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753483 1128216740 /nfs/dbraw/zinc/21/67/40/1128216740.db2.gz PFVCQZHGIFJOAA-VIFPVBQESA-N 1 2 332.429 3.533 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000072878588 1128308589 /nfs/dbraw/zinc/30/85/89/1128308589.db2.gz TTZVOYBGSVEJJO-CYBMUJFWSA-N 1 2 337.379 3.658 20 0 EHADLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000072878588 1128308594 /nfs/dbraw/zinc/30/85/94/1128308594.db2.gz TTZVOYBGSVEJJO-CYBMUJFWSA-N 1 2 337.379 3.658 20 0 EHADLO CCOC[C@@H]1CCCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)C1 ZINC000072946476 1128311655 /nfs/dbraw/zinc/31/16/55/1128311655.db2.gz QNPMIGIPESTHMG-OAHLLOKOSA-N 1 2 342.439 3.664 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000089356530 1128415635 /nfs/dbraw/zinc/41/56/35/1128415635.db2.gz ZUCJLZVTUNTSDX-MOPGFXCFSA-N 1 2 337.467 3.933 20 0 EHADLO Cc1cccn2cc(Cc3noc(CC4CCC(F)(F)CC4)n3)[nH+]c12 ZINC000624499666 1128379233 /nfs/dbraw/zinc/37/92/33/1128379233.db2.gz XWQJFUGCIRQSOY-UHFFFAOYSA-N 1 2 346.381 3.985 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168614227 1128387411 /nfs/dbraw/zinc/38/74/11/1128387411.db2.gz LELBCNPZTCUWNT-HKUYNNGSSA-N 1 2 349.471 3.628 20 0 EHADLO COc1ccc(C(C)(C)NC(=O)Nc2ccn3cc[nH+]c3c2)cc1F ZINC001670977345 1128404388 /nfs/dbraw/zinc/40/43/88/1128404388.db2.gz OGGPEPUCHNDLTL-UHFFFAOYSA-N 1 2 342.374 3.539 20 0 EHADLO CC(C)O[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000765814238 1128432010 /nfs/dbraw/zinc/43/20/10/1128432010.db2.gz XAXHKWRCUQBJRV-MOPGFXCFSA-N 1 2 332.488 3.652 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cncnc3C(C)C)cc2)[nH+]c1C ZINC000921665643 1128444158 /nfs/dbraw/zinc/44/41/58/1128444158.db2.gz OYGXZKMATRHKAH-UHFFFAOYSA-N 1 2 335.411 3.859 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1cscc1Br ZINC000352732937 1128434263 /nfs/dbraw/zinc/43/42/63/1128434263.db2.gz AJBMHSVJLJAGEV-UHFFFAOYSA-N 1 2 330.222 3.948 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCO[C@H]3C(C)C)cc2)[nH+]c1C ZINC000921659910 1128439385 /nfs/dbraw/zinc/43/93/85/1128439385.db2.gz PPQVAJRPJJNYBZ-SJORKVTESA-N 1 2 327.428 3.693 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn(C)c3C3CC3)cc2)[nH+]c1C ZINC000921661559 1128439928 /nfs/dbraw/zinc/43/99/28/1128439928.db2.gz ILTPQLOAPRYLFP-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C)c1ccc(C)o1 ZINC000347634112 1128484098 /nfs/dbraw/zinc/48/40/98/1128484098.db2.gz IRGOUNCJTJRXRQ-SJORKVTESA-N 1 2 344.455 3.818 20 0 EHADLO Clc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)C2)cc1 ZINC000655796268 1128485822 /nfs/dbraw/zinc/48/58/22/1128485822.db2.gz DULOSMGCOXYBNQ-FVQBIDKESA-N 1 2 346.862 3.736 20 0 EHADLO Cc1cn2cc(NC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)ccc2[nH+]1 ZINC000542674262 1128496176 /nfs/dbraw/zinc/49/61/76/1128496176.db2.gz PICTUGPFUBXULU-GUYCJALGSA-N 1 2 335.411 3.653 20 0 EHADLO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3ccnc(OC)c3)o2)cc1 ZINC000347636002 1128498235 /nfs/dbraw/zinc/49/82/35/1128498235.db2.gz HCEDDOBCAGHHFN-CYBMUJFWSA-N 1 2 339.395 3.605 20 0 EHADLO O=C(CCCOCCc1ccccc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000055408990 1128517269 /nfs/dbraw/zinc/51/72/69/1128517269.db2.gz ZJLRVZPQYKAGLB-UHFFFAOYSA-N 1 2 349.434 3.850 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000369320516 1128525940 /nfs/dbraw/zinc/52/59/40/1128525940.db2.gz YTCLHNQAZOABGD-ZACQAIPSSA-N 1 2 332.492 3.524 20 0 EHADLO CN(CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1cc[nH+]cc1 ZINC000542784752 1128615139 /nfs/dbraw/zinc/61/51/39/1128615139.db2.gz HMFNCUYKCTUNSH-UHFFFAOYSA-N 1 2 340.210 3.559 20 0 EHADLO Cc1cccc([C@@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000057372806 1128633572 /nfs/dbraw/zinc/63/35/72/1128633572.db2.gz DBKGGTRJGRPUAF-SFHVURJKSA-N 1 2 326.444 3.518 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2ncnn2-c2ccccc2)c1C ZINC000542835306 1128676717 /nfs/dbraw/zinc/67/67/17/1128676717.db2.gz RRJAZWQCZFVEHU-UHFFFAOYSA-N 1 2 340.452 3.721 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000303734904 1128691858 /nfs/dbraw/zinc/69/18/58/1128691858.db2.gz GDEMXNLPBXSHIZ-HNNXBMFYSA-N 1 2 328.843 3.745 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000303734904 1128691862 /nfs/dbraw/zinc/69/18/62/1128691862.db2.gz GDEMXNLPBXSHIZ-HNNXBMFYSA-N 1 2 328.843 3.745 20 0 EHADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(OCC2CCCCC2)c1 ZINC000542854338 1128694310 /nfs/dbraw/zinc/69/43/10/1128694310.db2.gz QKUBNALKBSGVEP-UHFFFAOYSA-N 1 2 342.487 3.796 20 0 EHADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(OCC2CCCCC2)c1 ZINC000542854338 1128694313 /nfs/dbraw/zinc/69/43/13/1128694313.db2.gz QKUBNALKBSGVEP-UHFFFAOYSA-N 1 2 342.487 3.796 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000619953103 1128772785 /nfs/dbraw/zinc/77/27/85/1128772785.db2.gz BUWLBRQACBJUMR-DCGLDWPTSA-N 1 2 338.879 3.721 20 0 EHADLO COc1ccc(CCCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338738962 1128799048 /nfs/dbraw/zinc/79/90/48/1128799048.db2.gz BGWFPJKOTLUCCR-UHFFFAOYSA-N 1 2 341.455 3.537 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c2ccccc21 ZINC000672147713 1128800865 /nfs/dbraw/zinc/80/08/65/1128800865.db2.gz UXIGLWXEZZKNQN-FTRWYGJKSA-N 1 2 337.467 3.631 20 0 EHADLO CC(C)(NC(=O)NCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000265777230 1128873774 /nfs/dbraw/zinc/87/37/74/1128873774.db2.gz UQXGPXLSEUUQSN-UHFFFAOYSA-N 1 2 346.862 3.607 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000253546750 1128889942 /nfs/dbraw/zinc/88/99/42/1128889942.db2.gz UJQRBPWFXKBRFO-FRQCXROJSA-N 1 2 338.455 3.907 20 0 EHADLO CCn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(C(C)C)n1 ZINC000129805985 1120201018 /nfs/dbraw/zinc/20/10/18/1120201018.db2.gz FWQGQBRSBKRLOR-UHFFFAOYSA-N 1 2 341.390 3.604 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000355248982 1128907527 /nfs/dbraw/zinc/90/75/27/1128907527.db2.gz AOLUEXYHQUADRQ-ZDUSSCGKSA-N 1 2 331.485 3.563 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000122114239 1120367942 /nfs/dbraw/zinc/36/79/42/1120367942.db2.gz TURCCLBMGVZYTC-CZUORRHYSA-N 1 2 332.444 3.902 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000122114239 1120367947 /nfs/dbraw/zinc/36/79/47/1120367947.db2.gz TURCCLBMGVZYTC-CZUORRHYSA-N 1 2 332.444 3.902 20 0 EHADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185080211 1120399335 /nfs/dbraw/zinc/39/93/35/1120399335.db2.gz MEOTVCLIAYBOBK-OAQYLSRUSA-N 1 2 348.450 3.641 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000185903064 1120434440 /nfs/dbraw/zinc/43/44/40/1120434440.db2.gz SFMYBBQNYCIDES-VFNNOXKTSA-N 1 2 339.468 3.887 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494253760 1120515477 /nfs/dbraw/zinc/51/54/77/1120515477.db2.gz KLAAPDZNBLACIK-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494253760 1120515487 /nfs/dbraw/zinc/51/54/87/1120515487.db2.gz KLAAPDZNBLACIK-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO CCCc1csc(C[NH2+]Cc2cccc(C(=O)N[C@H](C)CC)c2)n1 ZINC000494308820 1120526029 /nfs/dbraw/zinc/52/60/29/1120526029.db2.gz IRTCWGILCMXHTE-CQSZACIVSA-N 1 2 345.512 3.914 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001626012617 1120559340 /nfs/dbraw/zinc/55/93/40/1120559340.db2.gz MCOLZGYYZYCFBE-UHFFFAOYSA-N 1 2 331.847 3.909 20 0 EHADLO CCSc1cccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000494478450 1120568959 /nfs/dbraw/zinc/56/89/59/1120568959.db2.gz VQIJYIYBDPAQCR-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO CCSc1cccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000494478450 1120568963 /nfs/dbraw/zinc/56/89/63/1120568963.db2.gz VQIJYIYBDPAQCR-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cc(F)ccc1Cl ZINC000076524178 1128926379 /nfs/dbraw/zinc/92/63/79/1128926379.db2.gz RQTGHEAVWYTDFX-UHFFFAOYSA-N 1 2 333.794 3.616 20 0 EHADLO CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1c(C)noc1C ZINC000190334553 1120633756 /nfs/dbraw/zinc/63/37/56/1120633756.db2.gz JTWFIQZOKYINNH-INIZCTEOSA-N 1 2 346.381 3.996 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccccc1 ZINC000190323331 1120633840 /nfs/dbraw/zinc/63/38/40/1120633840.db2.gz QORIOUHBYLSQBZ-GOSISDBHSA-N 1 2 343.377 3.628 20 0 EHADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1noc(-c2ccsc2)n1 ZINC000193071817 1120757537 /nfs/dbraw/zinc/75/75/37/1120757537.db2.gz UFCMAOSCEVWPTN-UHFFFAOYSA-N 1 2 347.415 3.838 20 0 EHADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1noc(-c2ccsc2)n1 ZINC000193071817 1120757541 /nfs/dbraw/zinc/75/75/41/1120757541.db2.gz UFCMAOSCEVWPTN-UHFFFAOYSA-N 1 2 347.415 3.838 20 0 EHADLO CC(C)CCOC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000193111906 1120759021 /nfs/dbraw/zinc/75/90/21/1120759021.db2.gz WRDUWLTWIZFYLG-UHFFFAOYSA-N 1 2 329.444 3.764 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747150 1120795108 /nfs/dbraw/zinc/79/51/08/1120795108.db2.gz MBUVFPBGWABMJN-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193747150 1120795112 /nfs/dbraw/zinc/79/51/12/1120795112.db2.gz MBUVFPBGWABMJN-HNNXBMFYSA-N 1 2 344.405 3.874 20 0 EHADLO C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194056792 1120819405 /nfs/dbraw/zinc/81/94/05/1120819405.db2.gz XJGPIWFNKQVWBN-LPHOPBHVSA-N 1 2 340.471 3.557 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494792301 1120824534 /nfs/dbraw/zinc/82/45/34/1120824534.db2.gz QYXLFXYJUWSHPL-BHIYHBOVSA-N 1 2 327.472 3.832 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(C)c(F)c3)CCC2)n1 ZINC000494814276 1120858850 /nfs/dbraw/zinc/85/88/50/1120858850.db2.gz SWVUSONFETZGOK-UHFFFAOYSA-N 1 2 333.432 3.507 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433195850 1120941098 /nfs/dbraw/zinc/94/10/98/1120941098.db2.gz ZEABXWLDFNMKCD-LRDDRELGSA-N 1 2 334.261 3.766 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433195850 1120941100 /nfs/dbraw/zinc/94/11/00/1120941100.db2.gz ZEABXWLDFNMKCD-LRDDRELGSA-N 1 2 334.261 3.766 20 0 EHADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc1F ZINC000495056836 1120942010 /nfs/dbraw/zinc/94/20/10/1120942010.db2.gz DAYSBMUEXUEEHR-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc1F ZINC000495056836 1120942014 /nfs/dbraw/zinc/94/20/14/1120942014.db2.gz DAYSBMUEXUEEHR-UHFFFAOYSA-N 1 2 344.430 3.912 20 0 EHADLO CCCC[N@H+](Cn1nc(C)n(Cc2ccccc2)c1=S)C1CC1 ZINC000914783924 1120984913 /nfs/dbraw/zinc/98/49/13/1120984913.db2.gz JNDOQOUYGIPZQI-UHFFFAOYSA-N 1 2 330.501 3.993 20 0 EHADLO CCCC[N@@H+](Cn1nc(C)n(Cc2ccccc2)c1=S)C1CC1 ZINC000914783924 1120984916 /nfs/dbraw/zinc/98/49/16/1120984916.db2.gz JNDOQOUYGIPZQI-UHFFFAOYSA-N 1 2 330.501 3.993 20 0 EHADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000302810727 1121102999 /nfs/dbraw/zinc/10/29/99/1121102999.db2.gz PDEYYUKHLRTCNW-QGZVFWFLSA-N 1 2 328.431 3.583 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000542556227 1121157457 /nfs/dbraw/zinc/15/74/57/1121157457.db2.gz BGVCKVCDTWINAM-WMZOPIPTSA-N 1 2 344.455 3.919 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C[C@H]2C)CC1 ZINC001128221491 1128974965 /nfs/dbraw/zinc/97/49/65/1128974965.db2.gz MBRSLGVBVMLHCE-WTNVTLLGSA-N 1 2 332.513 3.636 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000915210177 1121255053 /nfs/dbraw/zinc/25/50/53/1121255053.db2.gz WKDJJRXEMRNEQE-XIRDDKMYSA-N 1 2 340.467 3.691 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000915210177 1121255060 /nfs/dbraw/zinc/25/50/60/1121255060.db2.gz WKDJJRXEMRNEQE-XIRDDKMYSA-N 1 2 340.467 3.691 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153531259 1121280864 /nfs/dbraw/zinc/28/08/64/1121280864.db2.gz RUPNVQOCTSTGCR-AWEZNQCLSA-N 1 2 346.500 3.530 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153531259 1121280870 /nfs/dbraw/zinc/28/08/70/1121280870.db2.gz RUPNVQOCTSTGCR-AWEZNQCLSA-N 1 2 346.500 3.530 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153531365 1121280959 /nfs/dbraw/zinc/28/09/59/1121280959.db2.gz RUPNVQOCTSTGCR-CQSZACIVSA-N 1 2 346.500 3.530 20 0 EHADLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000153531365 1121280962 /nfs/dbraw/zinc/28/09/62/1121280962.db2.gz RUPNVQOCTSTGCR-CQSZACIVSA-N 1 2 346.500 3.530 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000053601586 1121312771 /nfs/dbraw/zinc/31/27/71/1121312771.db2.gz IXCQBDQBOJMONZ-UHFFFAOYSA-N 1 2 336.266 3.706 20 0 EHADLO Cc1ccc(-c2nc(SCc3cc[nH+]c(N(C)C)c3)n[nH]2)cc1 ZINC000762470804 1121314423 /nfs/dbraw/zinc/31/44/23/1121314423.db2.gz YRTCBCKRLFFVCD-UHFFFAOYSA-N 1 2 325.441 3.533 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCc1csc(C(F)(F)F)c1 ZINC001123003140 1121392791 /nfs/dbraw/zinc/39/27/91/1121392791.db2.gz GPAPGOFXYMOKAD-UHFFFAOYSA-N 1 2 344.358 3.586 20 0 EHADLO COc1ccc(CC[C@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000153611489 1121409692 /nfs/dbraw/zinc/40/96/92/1121409692.db2.gz HHXUREBDZSPISF-INIZCTEOSA-N 1 2 328.456 3.557 20 0 EHADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000393437022 1121638377 /nfs/dbraw/zinc/63/83/77/1121638377.db2.gz SMYKIJSMSKVXFN-VIFPVBQESA-N 1 2 333.741 3.823 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000466994616 1121701784 /nfs/dbraw/zinc/70/17/84/1121701784.db2.gz IWCMRRWZGWUWCE-MRXNPFEDSA-N 1 2 345.512 3.915 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2[nH+]1 ZINC000055229958 1121807991 /nfs/dbraw/zinc/80/79/91/1121807991.db2.gz MVVXIFQHIJWLPT-UHFFFAOYSA-N 1 2 332.363 3.708 20 0 EHADLO O=C(CCn1ccc2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696018 1121857962 /nfs/dbraw/zinc/85/79/62/1121857962.db2.gz OPFKWAFSXOEUKO-UHFFFAOYSA-N 1 2 344.418 3.534 20 0 EHADLO O=C(Cc1cccc2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696426 1121858413 /nfs/dbraw/zinc/85/84/13/1121858413.db2.gz FBRWEUYQJNZNBJ-UHFFFAOYSA-N 1 2 341.414 3.884 20 0 EHADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055661523 1121864759 /nfs/dbraw/zinc/86/47/59/1121864759.db2.gz GAFGBCGMIUDSOP-FQEVSTJZSA-N 1 2 331.419 3.657 20 0 EHADLO Fc1ccc(C(C[N@@H+]2CCc3cn[nH]c3C2)c2ccc(F)cc2)cc1 ZINC000670264775 1121875331 /nfs/dbraw/zinc/87/53/31/1121875331.db2.gz YLRAUYJDHRLPGZ-UHFFFAOYSA-N 1 2 339.389 3.878 20 0 EHADLO Fc1ccc(C(C[N@H+]2CCc3cn[nH]c3C2)c2ccc(F)cc2)cc1 ZINC000670264775 1121875338 /nfs/dbraw/zinc/87/53/38/1121875338.db2.gz YLRAUYJDHRLPGZ-UHFFFAOYSA-N 1 2 339.389 3.878 20 0 EHADLO Cc1nc(-c2cccs2)ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000763294086 1121945008 /nfs/dbraw/zinc/94/50/08/1121945008.db2.gz OGVIBXJPKSCJSZ-UHFFFAOYSA-N 1 2 327.409 3.562 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccncc1Cl ZINC000496271098 1122042495 /nfs/dbraw/zinc/04/24/95/1122042495.db2.gz DUPVJEAYDAEUSK-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccncc1Cl ZINC000496271098 1122042501 /nfs/dbraw/zinc/04/25/01/1122042501.db2.gz DUPVJEAYDAEUSK-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000916152277 1122082065 /nfs/dbraw/zinc/08/20/65/1122082065.db2.gz VLCLJEJXWSKNGD-INIZCTEOSA-N 1 2 331.419 3.691 20 0 EHADLO Cc1cc2cc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2[nH]1 ZINC000916464976 1122161793 /nfs/dbraw/zinc/16/17/93/1122161793.db2.gz ORGPYVJQJAXWKI-QGZVFWFLSA-N 1 2 339.443 3.909 20 0 EHADLO C[C@@H](CC(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000496817346 1122190967 /nfs/dbraw/zinc/19/09/67/1122190967.db2.gz RDWILLNXOOVRGI-ZDUSSCGKSA-N 1 2 345.399 3.787 20 0 EHADLO COC(=O)Nc1cccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000496876449 1122203016 /nfs/dbraw/zinc/20/30/16/1122203016.db2.gz QUGDUSGDENELAE-UHFFFAOYSA-N 1 2 342.399 3.507 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000080924359 1122239521 /nfs/dbraw/zinc/23/95/21/1122239521.db2.gz FOOPCFSTVJHKTG-INIZCTEOSA-N 1 2 348.446 3.855 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000080924359 1122239524 /nfs/dbraw/zinc/23/95/24/1122239524.db2.gz FOOPCFSTVJHKTG-INIZCTEOSA-N 1 2 348.446 3.855 20 0 EHADLO CC(C)(C)CC(C)(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000124858565 1122297444 /nfs/dbraw/zinc/29/74/44/1122297444.db2.gz ZTWCFBXGEFZHJA-UHFFFAOYSA-N 1 2 342.487 3.945 20 0 EHADLO O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCCn1cc[nH+]c1 ZINC000064383929 1122310576 /nfs/dbraw/zinc/31/05/76/1122310576.db2.gz OXDNASHPHPZIPX-UHFFFAOYSA-N 1 2 345.446 3.593 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ncccc1F ZINC000126194831 1122394464 /nfs/dbraw/zinc/39/44/64/1122394464.db2.gz TVSFIDYOYAUXKD-UHFFFAOYSA-N 1 2 344.821 3.966 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000126210953 1122395475 /nfs/dbraw/zinc/39/54/75/1122395475.db2.gz PXGFKTUWSKMYJB-OAHLLOKOSA-N 1 2 344.480 3.631 20 0 EHADLO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126293658 1122400143 /nfs/dbraw/zinc/40/01/43/1122400143.db2.gz WMPLNGZHPVGFGO-IUODEOHRSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000126293658 1122400145 /nfs/dbraw/zinc/40/01/45/1122400145.db2.gz WMPLNGZHPVGFGO-IUODEOHRSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C/c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126426302 1122405484 /nfs/dbraw/zinc/40/54/84/1122405484.db2.gz YCWCEOMFTOBUIR-RINBSWIBSA-N 1 2 327.403 3.535 20 0 EHADLO c1cn(-c2ccc(C[N@@H+]3CCc4c5ccccc5[nH]c4C3)cc2)cn1 ZINC000126579560 1122413889 /nfs/dbraw/zinc/41/38/89/1122413889.db2.gz YPPFSKSVVPEZDD-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO c1cn(-c2ccc(C[N@H+]3CCc4c5ccccc5[nH]c4C3)cc2)cn1 ZINC000126579560 1122413892 /nfs/dbraw/zinc/41/38/92/1122413892.db2.gz YPPFSKSVVPEZDD-UHFFFAOYSA-N 1 2 328.419 3.912 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C)c(C)c1 ZINC000917151840 1122544328 /nfs/dbraw/zinc/54/43/28/1122544328.db2.gz RVDGQININYXXJZ-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C)c(C)c1 ZINC000917151840 1122544333 /nfs/dbraw/zinc/54/43/33/1122544333.db2.gz RVDGQININYXXJZ-UHFFFAOYSA-N 1 2 341.411 3.595 20 0 EHADLO CCC[N@@H+](Cc1noc(-c2ccccc2C)n1)C[C@H]1CCCCO1 ZINC000128338456 1122565955 /nfs/dbraw/zinc/56/59/55/1122565955.db2.gz MWYYYVNLNJWDEK-MRXNPFEDSA-N 1 2 329.444 3.826 20 0 EHADLO CCC[N@H+](Cc1noc(-c2ccccc2C)n1)C[C@H]1CCCCO1 ZINC000128338456 1122565958 /nfs/dbraw/zinc/56/59/58/1122565958.db2.gz MWYYYVNLNJWDEK-MRXNPFEDSA-N 1 2 329.444 3.826 20 0 EHADLO O=C(/C=C\c1ccccc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000917403183 1122597005 /nfs/dbraw/zinc/59/70/05/1122597005.db2.gz TXYXSIVCOABHJM-YVMONPNESA-N 1 2 325.318 3.802 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000917481916 1122613933 /nfs/dbraw/zinc/61/39/33/1122613933.db2.gz DSKXJWIBGFEBIR-HNNXBMFYSA-N 1 2 331.489 3.667 20 0 EHADLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nnn(C(C)(C)C)c1=S ZINC000917481916 1122613936 /nfs/dbraw/zinc/61/39/36/1122613936.db2.gz DSKXJWIBGFEBIR-HNNXBMFYSA-N 1 2 331.489 3.667 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000917482024 1122614262 /nfs/dbraw/zinc/61/42/62/1122614262.db2.gz CJKIZRNHLYCDRW-INIZCTEOSA-N 1 2 346.858 3.754 20 0 EHADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000917482024 1122614263 /nfs/dbraw/zinc/61/42/63/1122614263.db2.gz CJKIZRNHLYCDRW-INIZCTEOSA-N 1 2 346.858 3.754 20 0 EHADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128759950 1122662280 /nfs/dbraw/zinc/66/22/80/1122662280.db2.gz FNGQROLCEGYCGG-OAHLLOKOSA-N 1 2 344.842 3.740 20 0 EHADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128759950 1122662284 /nfs/dbraw/zinc/66/22/84/1122662284.db2.gz FNGQROLCEGYCGG-OAHLLOKOSA-N 1 2 344.842 3.740 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cn3nc(C)n(C4CC4)c3=S)C2)cc1 ZINC000154557399 1122702013 /nfs/dbraw/zinc/70/20/13/1122702013.db2.gz HLNSOPWOALFGNL-OAHLLOKOSA-N 1 2 344.484 3.513 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cn3nc(C)n(C4CC4)c3=S)C2)cc1 ZINC000154557399 1122702018 /nfs/dbraw/zinc/70/20/18/1122702018.db2.gz HLNSOPWOALFGNL-OAHLLOKOSA-N 1 2 344.484 3.513 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000917937481 1122713711 /nfs/dbraw/zinc/71/37/11/1122713711.db2.gz CETSXZZUWHUTEZ-OLZOCXBDSA-N 1 2 347.409 3.709 20 0 EHADLO CC(C)(C)c1ccc(CCCCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000170701066 1122764601 /nfs/dbraw/zinc/76/46/01/1122764601.db2.gz PYGHNJLYUZTSFE-UHFFFAOYSA-N 1 2 327.472 3.710 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000918183423 1122773009 /nfs/dbraw/zinc/77/30/09/1122773009.db2.gz CDNCQCNUDYQJPT-CYBMUJFWSA-N 1 2 345.830 3.717 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C ZINC000918563874 1122849250 /nfs/dbraw/zinc/84/92/50/1122849250.db2.gz ZPVQREAJLNKPNG-BQYQJAHWSA-N 1 2 337.467 3.517 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)C2CC2)C1 ZINC000444878928 1122853842 /nfs/dbraw/zinc/85/38/42/1122853842.db2.gz VDYYATRSRPKAHZ-GOEBONIOSA-N 1 2 344.484 3.522 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000556262568 1122905223 /nfs/dbraw/zinc/90/52/23/1122905223.db2.gz AMBCGFPPTFHSHH-PXAZEXFGSA-N 1 2 331.366 3.651 20 0 EHADLO CN(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000918782265 1122911464 /nfs/dbraw/zinc/91/14/64/1122911464.db2.gz VROHJIROSFASAV-UHFFFAOYSA-N 1 2 340.814 3.844 20 0 EHADLO CCc1cc(OCc2ccc(S(C)(=O)=O)cc2)c2ccccc2[nH+]1 ZINC000556287595 1122918674 /nfs/dbraw/zinc/91/86/74/1122918674.db2.gz BFPUFQGTYSSFHZ-UHFFFAOYSA-N 1 2 341.432 3.780 20 0 EHADLO OCC[N@H+](Cc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000070927545 1122945162 /nfs/dbraw/zinc/94/51/62/1122945162.db2.gz AZMJUJYYSCGFHP-UHFFFAOYSA-N 1 2 330.478 3.866 20 0 EHADLO OCC[N@@H+](Cc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000070927545 1122945167 /nfs/dbraw/zinc/94/51/67/1122945167.db2.gz AZMJUJYYSCGFHP-UHFFFAOYSA-N 1 2 330.478 3.866 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)o1 ZINC000130785074 1122998127 /nfs/dbraw/zinc/99/81/27/1122998127.db2.gz PACOEUXDECHFRB-KRWDZBQOSA-N 1 2 342.439 3.818 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)o1 ZINC000130785074 1122998131 /nfs/dbraw/zinc/99/81/31/1122998131.db2.gz PACOEUXDECHFRB-KRWDZBQOSA-N 1 2 342.439 3.818 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000556533505 1123014359 /nfs/dbraw/zinc/01/43/59/1123014359.db2.gz IVJYPBDQAVCZNF-MRXNPFEDSA-N 1 2 344.377 3.798 20 0 EHADLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000556533505 1123014361 /nfs/dbraw/zinc/01/43/61/1123014361.db2.gz IVJYPBDQAVCZNF-MRXNPFEDSA-N 1 2 344.377 3.798 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000131200496 1123059738 /nfs/dbraw/zinc/05/97/38/1123059738.db2.gz NGIKASAUOKSPMI-INIZCTEOSA-N 1 2 348.830 3.855 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000131200496 1123059743 /nfs/dbraw/zinc/05/97/43/1123059743.db2.gz NGIKASAUOKSPMI-INIZCTEOSA-N 1 2 348.830 3.855 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)c1 ZINC000556619957 1123063352 /nfs/dbraw/zinc/06/33/52/1123063352.db2.gz YPNBUWLORWBJJQ-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO Fc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)c1 ZINC000556619957 1123063354 /nfs/dbraw/zinc/06/33/54/1123063354.db2.gz YPNBUWLORWBJJQ-SFHVURJKSA-N 1 2 331.341 3.912 20 0 EHADLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000498795940 1123070490 /nfs/dbraw/zinc/07/04/90/1123070490.db2.gz RUDKPNQDANWEDK-ZFWWWQNUSA-N 1 2 327.415 3.963 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000556842862 1123146612 /nfs/dbraw/zinc/14/66/12/1123146612.db2.gz SOSICLBXAGATLY-UKPHBRMFSA-N 1 2 346.862 3.561 20 0 EHADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000556846764 1123148194 /nfs/dbraw/zinc/14/81/94/1123148194.db2.gz KXARFAOYYQUCKI-LBPRGKRZSA-N 1 2 338.390 3.549 20 0 EHADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc(-n2cccn2)c(F)c1 ZINC000556846764 1123148198 /nfs/dbraw/zinc/14/81/98/1123148198.db2.gz KXARFAOYYQUCKI-LBPRGKRZSA-N 1 2 338.390 3.549 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000132321695 1123219199 /nfs/dbraw/zinc/21/91/99/1123219199.db2.gz YGFVMKNOPFUZAP-QFBILLFUSA-N 1 2 340.471 3.892 20 0 EHADLO CC[C@@]1(C)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000073865555 1123225815 /nfs/dbraw/zinc/22/58/15/1123225815.db2.gz DFQOMERIMCISLV-IBGZPJMESA-N 1 2 326.444 3.594 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000132465535 1123232528 /nfs/dbraw/zinc/23/25/28/1123232528.db2.gz AWTNJCYQRZNRBL-IEBWSBKVSA-N 1 2 343.515 3.973 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543020549 1129112672 /nfs/dbraw/zinc/11/26/72/1129112672.db2.gz FJCRIPRDOPYSRF-FUHWJXTLSA-N 1 2 348.368 3.669 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543020549 1129112675 /nfs/dbraw/zinc/11/26/75/1129112675.db2.gz FJCRIPRDOPYSRF-FUHWJXTLSA-N 1 2 348.368 3.669 20 0 EHADLO CC(C)Cn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000133606651 1123408120 /nfs/dbraw/zinc/40/81/20/1123408120.db2.gz AKVWWIILDBFOFA-UHFFFAOYSA-N 1 2 349.438 3.855 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000649252380 1123423591 /nfs/dbraw/zinc/42/35/91/1123423591.db2.gz BUQANVQSEMMHFE-JLSDUUJJSA-N 1 2 341.455 3.639 20 0 EHADLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000649252380 1123423594 /nfs/dbraw/zinc/42/35/94/1123423594.db2.gz BUQANVQSEMMHFE-JLSDUUJJSA-N 1 2 341.455 3.639 20 0 EHADLO C[C@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)CC(C)(C)O1 ZINC000920863881 1123428434 /nfs/dbraw/zinc/42/84/34/1123428434.db2.gz GXAQLUYOYRUPFV-NSHDSACASA-N 1 2 341.427 3.808 20 0 EHADLO C[C@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)CC(C)(C)O1 ZINC000920863881 1123428437 /nfs/dbraw/zinc/42/84/37/1123428437.db2.gz GXAQLUYOYRUPFV-NSHDSACASA-N 1 2 341.427 3.808 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075832202 1123429176 /nfs/dbraw/zinc/42/91/76/1123429176.db2.gz CAABXJXXGVYLPF-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075832202 1123429178 /nfs/dbraw/zinc/42/91/78/1123429178.db2.gz CAABXJXXGVYLPF-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832009 1123429237 /nfs/dbraw/zinc/42/92/37/1123429237.db2.gz LDAKJCQJMSOQJX-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832009 1123429240 /nfs/dbraw/zinc/42/92/40/1123429240.db2.gz LDAKJCQJMSOQJX-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(C(C)(C)NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000347476868 1123429673 /nfs/dbraw/zinc/42/96/73/1123429673.db2.gz BOFDQRZDZRLIMR-UHFFFAOYSA-N 1 2 348.450 3.915 20 0 EHADLO C[C@@H]1CCC(C)(C)N1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920836423 1123429875 /nfs/dbraw/zinc/42/98/75/1123429875.db2.gz RMXQEKJRLPKTNG-NVXWUHKLSA-N 1 2 340.471 3.676 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843059 1123431944 /nfs/dbraw/zinc/43/19/44/1123431944.db2.gz GGEJVBZTKDMIJB-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000075843059 1123431947 /nfs/dbraw/zinc/43/19/47/1123431947.db2.gz GGEJVBZTKDMIJB-HNAYVOBHSA-N 1 2 347.455 3.683 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000921045869 1123458869 /nfs/dbraw/zinc/45/88/69/1123458869.db2.gz GMETXDQTENJZBU-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000921045869 1123458871 /nfs/dbraw/zinc/45/88/71/1123458871.db2.gz GMETXDQTENJZBU-UHFFFAOYSA-N 1 2 325.456 3.768 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921199379 1123477774 /nfs/dbraw/zinc/47/77/74/1123477774.db2.gz JBHUPYJWEVGFNT-INIZCTEOSA-N 1 2 348.450 3.995 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)OCc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000763451060 1123503555 /nfs/dbraw/zinc/50/35/55/1123503555.db2.gz LULJHDQHDSXBLJ-IBGZPJMESA-N 1 2 348.402 3.654 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239669 1123507624 /nfs/dbraw/zinc/50/76/24/1123507624.db2.gz IHBVRKVPESDRMU-LRDDRELGSA-N 1 2 341.436 3.622 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000134239669 1123507626 /nfs/dbraw/zinc/50/76/26/1123507626.db2.gz IHBVRKVPESDRMU-LRDDRELGSA-N 1 2 341.436 3.622 20 0 EHADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000135426586 1123613654 /nfs/dbraw/zinc/61/36/54/1123613654.db2.gz MIMSXZAHAAGFJX-NSHDSACASA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000135426586 1123613655 /nfs/dbraw/zinc/61/36/55/1123613655.db2.gz MIMSXZAHAAGFJX-NSHDSACASA-N 1 2 333.284 3.759 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(F)cc1Cl ZINC000064441249 1123618715 /nfs/dbraw/zinc/61/87/15/1123618715.db2.gz RDLQZPIEAZKKRP-AWEZNQCLSA-N 1 2 341.789 3.659 20 0 EHADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000079257417 1123681415 /nfs/dbraw/zinc/68/14/15/1123681415.db2.gz JUICAYFYXVLJMK-UHFFFAOYSA-N 1 2 337.467 3.666 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)nc1Cl ZINC000801517410 1123735746 /nfs/dbraw/zinc/73/57/46/1123735746.db2.gz FSYNNVOTYQFRDN-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nc1Cl ZINC000801517410 1123735748 /nfs/dbraw/zinc/73/57/48/1123735748.db2.gz FSYNNVOTYQFRDN-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000067990864 1123799840 /nfs/dbraw/zinc/79/98/40/1123799840.db2.gz RSDVXBCEALEMMJ-MRXNPFEDSA-N 1 2 333.435 3.855 20 0 EHADLO CCc1ccc([C@@H](C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000067992076 1123799885 /nfs/dbraw/zinc/79/98/85/1123799885.db2.gz VGFIGYGTZZAEKZ-CQSZACIVSA-N 1 2 326.440 3.689 20 0 EHADLO Fc1ccc2oc(Nc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000114448499 1129146625 /nfs/dbraw/zinc/14/66/25/1129146625.db2.gz FYYWDONOLMAXOK-UHFFFAOYSA-N 1 2 327.359 3.543 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000245421335 1123821691 /nfs/dbraw/zinc/82/16/91/1123821691.db2.gz CPPLWJYGZNKVFT-OJLVUWQFSA-N 1 2 333.501 3.750 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000245421335 1123821700 /nfs/dbraw/zinc/82/17/00/1123821700.db2.gz CPPLWJYGZNKVFT-OJLVUWQFSA-N 1 2 333.501 3.750 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000245470188 1123843361 /nfs/dbraw/zinc/84/33/61/1123843361.db2.gz MOACDYRSXCZDJK-CVEARBPZSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000245470188 1123843365 /nfs/dbraw/zinc/84/33/65/1123843365.db2.gz MOACDYRSXCZDJK-CVEARBPZSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000245470189 1123843567 /nfs/dbraw/zinc/84/35/67/1123843567.db2.gz MOACDYRSXCZDJK-HZPDHXFCSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)c1 ZINC000245470189 1123843574 /nfs/dbraw/zinc/84/35/74/1123843574.db2.gz MOACDYRSXCZDJK-HZPDHXFCSA-N 1 2 329.362 3.648 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCCC[C@@H]12 ZINC000615802343 1123877938 /nfs/dbraw/zinc/87/79/38/1123877938.db2.gz HNYZTZBQXVMTRQ-UXPWSPDFSA-N 1 2 337.467 3.972 20 0 EHADLO CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245679027 1123920834 /nfs/dbraw/zinc/92/08/34/1123920834.db2.gz LWONDSKHYKXMEE-OALUTQOASA-N 1 2 344.405 3.702 20 0 EHADLO CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245679027 1123920837 /nfs/dbraw/zinc/92/08/37/1123920837.db2.gz LWONDSKHYKXMEE-OALUTQOASA-N 1 2 344.405 3.702 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000616153921 1123952825 /nfs/dbraw/zinc/95/28/25/1123952825.db2.gz KUCGLNIOCDWJQE-MWQQHZPXSA-N 1 2 343.858 3.630 20 0 EHADLO C[C@]1(O)CC[N@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180184096 1123957356 /nfs/dbraw/zinc/95/73/56/1123957356.db2.gz SNTSHCJDWMFPNM-HNNXBMFYSA-N 1 2 340.901 3.904 20 0 EHADLO C[C@]1(O)CC[N@@H+](Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180184096 1123957359 /nfs/dbraw/zinc/95/73/59/1123957359.db2.gz SNTSHCJDWMFPNM-HNNXBMFYSA-N 1 2 340.901 3.904 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245926473 1123980757 /nfs/dbraw/zinc/98/07/57/1123980757.db2.gz PQZKGQHGKJDALK-FGTMMUONSA-N 1 2 329.488 3.996 20 0 EHADLO Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC000616331719 1123984567 /nfs/dbraw/zinc/98/45/67/1123984567.db2.gz ODGAZOGBGOQVMM-UHFFFAOYSA-N 1 2 338.238 3.937 20 0 EHADLO CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000617250153 1124456250 /nfs/dbraw/zinc/45/62/50/1124456250.db2.gz FIWMBLFXTQXZJF-LBPRGKRZSA-N 1 2 341.908 3.536 20 0 EHADLO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000247064488 1124585250 /nfs/dbraw/zinc/58/52/50/1124585250.db2.gz NZUGPZGTKVBAJK-XNFNUYLZSA-N 1 2 349.950 3.795 20 0 EHADLO CC(C)Oc1cccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1F ZINC001212318337 1124620433 /nfs/dbraw/zinc/62/04/33/1124620433.db2.gz VCESLBVKRLDHJV-UHFFFAOYSA-N 1 2 345.418 3.713 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248566291 1124673972 /nfs/dbraw/zinc/67/39/72/1124673972.db2.gz NJMBVHYEZNCCMH-MNZLEMJZSA-N 1 2 344.499 3.838 20 0 EHADLO COc1cccc([C@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830492 1124704656 /nfs/dbraw/zinc/70/46/56/1124704656.db2.gz LDXPSSQQQRSJMI-WOJBJXKFSA-N 1 2 345.483 3.950 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CCO2)c1 ZINC000248830492 1124704663 /nfs/dbraw/zinc/70/46/63/1124704663.db2.gz LDXPSSQQQRSJMI-WOJBJXKFSA-N 1 2 345.483 3.950 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000249407160 1124755297 /nfs/dbraw/zinc/75/52/97/1124755297.db2.gz WVQSMXWZQVGRFM-SAABIXHNSA-N 1 2 330.472 3.674 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000448782602 1124907655 /nfs/dbraw/zinc/90/76/55/1124907655.db2.gz FGQYMWNZSXNOTJ-RYRKJORJSA-N 1 2 330.472 3.530 20 0 EHADLO COCc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1C(F)(F)F ZINC000618342843 1125054889 /nfs/dbraw/zinc/05/48/89/1125054889.db2.gz JUDZXYHRGVHQEY-NSHDSACASA-N 1 2 341.333 3.638 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(Cl)Cl)n2)C1 ZINC000181876480 1125071529 /nfs/dbraw/zinc/07/15/29/1125071529.db2.gz CAKWHLMBCBAUOM-SECBINFHSA-N 1 2 336.288 3.507 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(Cl)Cl)n2)C1 ZINC000181876480 1125071534 /nfs/dbraw/zinc/07/15/34/1125071534.db2.gz CAKWHLMBCBAUOM-SECBINFHSA-N 1 2 336.288 3.507 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@H](CCF)C1 ZINC000618697219 1125168499 /nfs/dbraw/zinc/16/84/99/1125168499.db2.gz ATFYCRSPKBHUOP-NVXWUHKLSA-N 1 2 329.419 3.530 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000093478297 1125259319 /nfs/dbraw/zinc/25/93/19/1125259319.db2.gz OGDBQOVPSVYONV-HXUWFJFHSA-N 1 2 339.435 3.730 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000093478297 1125259323 /nfs/dbraw/zinc/25/93/23/1125259323.db2.gz OGDBQOVPSVYONV-HXUWFJFHSA-N 1 2 339.435 3.730 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619112694 1125277711 /nfs/dbraw/zinc/27/77/11/1125277711.db2.gz JNOOTDJTIHQIAR-MRXNPFEDSA-N 1 2 329.469 3.614 20 0 EHADLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc2[nH+]ccn21 ZINC000254988344 1125358878 /nfs/dbraw/zinc/35/88/78/1125358878.db2.gz GKLATTXDPOGPAI-RAXLEYEMSA-N 1 2 348.431 3.667 20 0 EHADLO CCOc1ccc([C@H](C)NC(=O)CCCNc2cccc[nH+]2)cc1 ZINC000153077942 1125430203 /nfs/dbraw/zinc/43/02/03/1125430203.db2.gz UAVVGHNHXUVCCS-HNNXBMFYSA-N 1 2 327.428 3.550 20 0 EHADLO FC(F)Oc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000634734397 1125432104 /nfs/dbraw/zinc/43/21/04/1125432104.db2.gz FDAQCVKYTRRNHJ-GFCCVEGCSA-N 1 2 341.732 3.797 20 0 EHADLO FC(F)Oc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000634734397 1125432107 /nfs/dbraw/zinc/43/21/07/1125432107.db2.gz FDAQCVKYTRRNHJ-GFCCVEGCSA-N 1 2 341.732 3.797 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCCC(C)C)[C@H](C)C1 ZINC001128412519 1129202715 /nfs/dbraw/zinc/20/27/15/1129202715.db2.gz VXQNYFRSNJNYDQ-GOSISDBHSA-N 1 2 346.515 3.944 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCCC(C)C)[C@H](C)C1 ZINC001128412519 1129202717 /nfs/dbraw/zinc/20/27/17/1129202717.db2.gz VXQNYFRSNJNYDQ-GOSISDBHSA-N 1 2 346.515 3.944 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)NCc2c[nH+]cn2C)C(C)C)cc1 ZINC000357613895 1129280817 /nfs/dbraw/zinc/28/08/17/1129280817.db2.gz YQHQAMKKWNJYGA-IBGZPJMESA-N 1 2 342.487 3.815 20 0 EHADLO O=C1NCCC[C@H]1[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543151063 1129288717 /nfs/dbraw/zinc/28/87/17/1129288717.db2.gz KNHOBCSRWNTICJ-SJORKVTESA-N 1 2 349.261 3.951 20 0 EHADLO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000466217639 1129309963 /nfs/dbraw/zinc/30/99/63/1129309963.db2.gz LNUVGMZIMXVENP-WMZOPIPTSA-N 1 2 340.471 3.983 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CSc3ccccc32)n1 ZINC000735653033 1131369479 /nfs/dbraw/zinc/36/94/79/1131369479.db2.gz XFQNSOMILJUSSV-AWEZNQCLSA-N 1 2 347.509 3.813 20 0 EHADLO CC1(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000116537509 1129368630 /nfs/dbraw/zinc/36/86/30/1129368630.db2.gz AVLAWACCPOVSPF-UHFFFAOYSA-N 1 2 330.407 3.533 20 0 EHADLO CC[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068419554 1129369440 /nfs/dbraw/zinc/36/94/40/1129369440.db2.gz HTNUJJQVYCJJBI-KRWDZBQOSA-N 1 2 325.456 3.974 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000081318272 1129413478 /nfs/dbraw/zinc/41/34/78/1129413478.db2.gz FMUPSTPKCFEHBE-IBGZPJMESA-N 1 2 344.418 3.615 20 0 EHADLO CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccc(N)[nH+]c2)cc1 ZINC000922403682 1129523090 /nfs/dbraw/zinc/52/30/90/1129523090.db2.gz DFWRZEVBNRRAMP-KRWDZBQOSA-N 1 2 342.439 3.518 20 0 EHADLO CCCOc1ncccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428850133 1129528244 /nfs/dbraw/zinc/52/82/44/1129528244.db2.gz LKPXOJMUEPTCRR-UHFFFAOYSA-N 1 2 331.416 3.909 20 0 EHADLO Clc1ccc(Br)cc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000922482895 1129551302 /nfs/dbraw/zinc/55/13/02/1129551302.db2.gz QNXJPCAQYWFDRM-UHFFFAOYSA-N 1 2 340.652 3.924 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000154393042 1129555084 /nfs/dbraw/zinc/55/50/84/1129555084.db2.gz BOBKTIJDVHSCNB-OAHLLOKOSA-N 1 2 331.456 3.620 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1OC1CC1 ZINC000922521692 1129561449 /nfs/dbraw/zinc/56/14/49/1129561449.db2.gz MIMXYBMXHFPQQT-OXQOHEQNSA-N 1 2 343.398 3.798 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1c(F)cccc1F ZINC000428876383 1129565390 /nfs/dbraw/zinc/56/53/90/1129565390.db2.gz LHUXAKHGZABANW-LLVKDONJSA-N 1 2 337.313 3.868 20 0 EHADLO c1ccc2cc(CCNc3ccc(N4CCOCC4)c[nH+]3)ccc2c1 ZINC001168728370 1129575436 /nfs/dbraw/zinc/57/54/36/1129575436.db2.gz SDJKXGXVGGKLBZ-UHFFFAOYSA-N 1 2 333.435 3.726 20 0 EHADLO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001168729589 1129592144 /nfs/dbraw/zinc/59/21/44/1129592144.db2.gz IRFFTLVGNAOYLL-LJQANCHMSA-N 1 2 342.870 3.672 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1OC ZINC000922619979 1129601972 /nfs/dbraw/zinc/60/19/72/1129601972.db2.gz YPEVQBWQAINAOT-NSHDSACASA-N 1 2 342.212 3.561 20 0 EHADLO O=C(Cc1coc2cc(Cl)ccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624937721 1129606595 /nfs/dbraw/zinc/60/65/95/1129606595.db2.gz OTGQQTNSFUVVRK-UHFFFAOYSA-N 1 2 343.814 3.758 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)cc(Cl)c1F ZINC000922670126 1129620450 /nfs/dbraw/zinc/62/04/50/1129620450.db2.gz QKTGGTXTRANADI-SECBINFHSA-N 1 2 343.233 3.839 20 0 EHADLO CCCc1nc(C)c(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)o1 ZINC000428945824 1129628227 /nfs/dbraw/zinc/62/82/27/1129628227.db2.gz HNVXHMLBTXHYHG-UHFFFAOYSA-N 1 2 335.492 3.549 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)o1 ZINC000428945824 1129628228 /nfs/dbraw/zinc/62/82/28/1129628228.db2.gz HNVXHMLBTXHYHG-UHFFFAOYSA-N 1 2 335.492 3.549 20 0 EHADLO FC(F)COCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347729246 1129643772 /nfs/dbraw/zinc/64/37/72/1129643772.db2.gz IAAOXZKYLAFNKV-CYBMUJFWSA-N 1 2 329.778 3.635 20 0 EHADLO FC(F)COCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347729246 1129643774 /nfs/dbraw/zinc/64/37/74/1129643774.db2.gz IAAOXZKYLAFNKV-CYBMUJFWSA-N 1 2 329.778 3.635 20 0 EHADLO CCOC(=O)CCC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347735476 1129669006 /nfs/dbraw/zinc/66/90/06/1129669006.db2.gz QNURKUMIPPMUNR-HNNXBMFYSA-N 1 2 335.835 3.697 20 0 EHADLO CCOC(=O)CCC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347735476 1129669009 /nfs/dbraw/zinc/66/90/09/1129669009.db2.gz QNURKUMIPPMUNR-HNNXBMFYSA-N 1 2 335.835 3.697 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000625044983 1129713674 /nfs/dbraw/zinc/71/36/74/1129713674.db2.gz GHTZJIOZDANRPL-UHFFFAOYSA-N 1 2 342.814 3.634 20 0 EHADLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000625044983 1129713677 /nfs/dbraw/zinc/71/36/77/1129713677.db2.gz GHTZJIOZDANRPL-UHFFFAOYSA-N 1 2 342.814 3.634 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3[C@@H]4Cc5cc(Cl)ccc5[C@@H]43)ccc2[nH+]1 ZINC000625062038 1129719847 /nfs/dbraw/zinc/71/98/47/1129719847.db2.gz JTCCEWPHCRZTJN-BPQIPLTHSA-N 1 2 337.810 3.821 20 0 EHADLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(O)ccc1Cl ZINC000625230468 1129773544 /nfs/dbraw/zinc/77/35/44/1129773544.db2.gz ZNZYRCJTHWBIJJ-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(O)ccc1Cl ZINC000625230468 1129773547 /nfs/dbraw/zinc/77/35/47/1129773547.db2.gz ZNZYRCJTHWBIJJ-UHFFFAOYSA-N 1 2 344.842 3.570 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000673725615 1129811505 /nfs/dbraw/zinc/81/15/05/1129811505.db2.gz VUBHFZZGRQUPKC-DLBZAZTESA-N 1 2 325.456 3.540 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc(F)c(F)cc3Cl)[nH+]c12 ZINC000673725005 1129812157 /nfs/dbraw/zinc/81/21/57/1129812157.db2.gz QRYQCBYUQRONOS-UHFFFAOYSA-N 1 2 349.768 3.547 20 0 EHADLO Cc1ccc(C[N@H+](CCO)Cc2coc(-c3ccccc3F)n2)cc1 ZINC000625319822 1129825377 /nfs/dbraw/zinc/82/53/77/1129825377.db2.gz YEAKGCSXDZMDTG-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1ccc(C[N@@H+](CCO)Cc2coc(-c3ccccc3F)n2)cc1 ZINC000625319822 1129825380 /nfs/dbraw/zinc/82/53/80/1129825380.db2.gz YEAKGCSXDZMDTG-UHFFFAOYSA-N 1 2 340.398 3.784 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3cc(Cl)ccc3C)[nH+]c12 ZINC000673757402 1129831709 /nfs/dbraw/zinc/83/17/09/1129831709.db2.gz DDVWROMCDKLICE-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)CCc3cc4ccccc4[nH]c3=O)cc2[nH+]1 ZINC000347806771 1129838846 /nfs/dbraw/zinc/83/88/46/1129838846.db2.gz KMOHLOLOBYKFDK-UHFFFAOYSA-N 1 2 346.390 3.696 20 0 EHADLO CC[C@H]1CCCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673780613 1129841824 /nfs/dbraw/zinc/84/18/24/1129841824.db2.gz ZPIGPDAJAYPPLH-KRWDZBQOSA-N 1 2 328.460 3.549 20 0 EHADLO FC1(F)CN([C@H]2Cc3cccc(Cl)c3C2)CC[C@@H]1[NH+]1CCCC1 ZINC001168742071 1129846024 /nfs/dbraw/zinc/84/60/24/1129846024.db2.gz CAFDHGBLVCRQEO-YOEHRIQHSA-N 1 2 340.845 3.613 20 0 EHADLO CC1(C)CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000429136750 1129850240 /nfs/dbraw/zinc/85/02/40/1129850240.db2.gz AJNVKSVSHMUONT-HNNXBMFYSA-N 1 2 344.434 3.779 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000673828204 1129871191 /nfs/dbraw/zinc/87/11/91/1129871191.db2.gz PLIRSMVURNTNNE-GJZGRUSLSA-N 1 2 333.863 3.967 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008718 1129955784 /nfs/dbraw/zinc/95/57/84/1129955784.db2.gz BITKBLPSTMLXTQ-ZRGWGRIASA-N 1 2 338.426 3.939 20 0 EHADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008718 1129955787 /nfs/dbraw/zinc/95/57/87/1129955787.db2.gz BITKBLPSTMLXTQ-ZRGWGRIASA-N 1 2 338.426 3.939 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009772 1129956679 /nfs/dbraw/zinc/95/66/79/1129956679.db2.gz LKENQXHGCFXDKU-BEFAXECRSA-N 1 2 330.447 3.968 20 0 EHADLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009772 1129956682 /nfs/dbraw/zinc/95/66/82/1129956682.db2.gz LKENQXHGCFXDKU-BEFAXECRSA-N 1 2 330.447 3.968 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000625651742 1129969518 /nfs/dbraw/zinc/96/95/18/1129969518.db2.gz UMTGLIAPSMVRJP-KBPBESRZSA-N 1 2 335.398 3.692 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000625651743 1129969696 /nfs/dbraw/zinc/96/96/96/1129969696.db2.gz UMTGLIAPSMVRJP-OKILXGFUSA-N 1 2 335.398 3.692 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000625651743 1129969700 /nfs/dbraw/zinc/96/97/00/1129969700.db2.gz UMTGLIAPSMVRJP-OKILXGFUSA-N 1 2 335.398 3.692 20 0 EHADLO C/C(=C/C(=O)NCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000736195505 1131412390 /nfs/dbraw/zinc/41/23/90/1131412390.db2.gz NJBHRVJUOFDSNS-YPKPFQOOSA-N 1 2 329.831 3.757 20 0 EHADLO Cc1cscc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674097540 1130002907 /nfs/dbraw/zinc/00/29/07/1130002907.db2.gz IDZCYMZJSWKDAO-INIZCTEOSA-N 1 2 325.437 3.504 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000674238493 1130035732 /nfs/dbraw/zinc/03/57/32/1130035732.db2.gz IKOOMWFNLLLHRG-INIZCTEOSA-N 1 2 338.451 3.610 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000171405454 1130054169 /nfs/dbraw/zinc/05/41/69/1130054169.db2.gz PAMAUUUOSSJCPH-UHFFFAOYSA-N 1 2 325.755 3.552 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674399436 1130085584 /nfs/dbraw/zinc/08/55/84/1130085584.db2.gz BLGPQEOSDXSAAX-SFHVURJKSA-N 1 2 338.455 3.840 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674399436 1130085590 /nfs/dbraw/zinc/08/55/90/1130085590.db2.gz BLGPQEOSDXSAAX-SFHVURJKSA-N 1 2 338.455 3.840 20 0 EHADLO O=C(NCCc1ccc(Cl)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172055035 1130102159 /nfs/dbraw/zinc/10/21/59/1130102159.db2.gz FVNRIBMHTLMQLO-UHFFFAOYSA-N 1 2 331.828 3.560 20 0 EHADLO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674548947 1130128178 /nfs/dbraw/zinc/12/81/78/1130128178.db2.gz DLQMMCREYKERBD-HNNXBMFYSA-N 1 2 340.814 3.562 20 0 EHADLO CCN(C)C(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000172618580 1130148397 /nfs/dbraw/zinc/14/83/97/1130148397.db2.gz GSYUVUXPTIIPEJ-IBGZPJMESA-N 1 2 346.858 3.506 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+][C@@H]3C[C@H](C)n4ncnc43)c(C)c2c1 ZINC000658101642 1130158742 /nfs/dbraw/zinc/15/87/42/1130158742.db2.gz MIWUPIHRBUYMKQ-ITDIGPHOSA-N 1 2 326.400 3.698 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674940348 1130227612 /nfs/dbraw/zinc/22/76/12/1130227612.db2.gz LRMZLWCTEZNPLL-NXHRZFHOSA-N 1 2 340.471 3.582 20 0 EHADLO CC(C)O[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1(C)C ZINC000766114950 1130330607 /nfs/dbraw/zinc/33/06/07/1130330607.db2.gz ZDDBMPNGRPDMPK-KGLIPLIRSA-N 1 2 331.464 3.585 20 0 EHADLO CC1CCC(N(C(=O)NCC[NH+]2Cc3ccccc3C2)C2CC2)CC1 ZINC000675968855 1130511327 /nfs/dbraw/zinc/51/13/27/1130511327.db2.gz WPAKUYJZPOVNHR-UHFFFAOYSA-N 1 2 341.499 3.755 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+](C)CCOC(C)(C)C)o2)cc1C ZINC000676043104 1130522740 /nfs/dbraw/zinc/52/27/40/1130522740.db2.gz LAWQOANWEKBWHZ-UHFFFAOYSA-N 1 2 337.489 3.916 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+](C)CCOC(C)(C)C)o2)cc1C ZINC000676043104 1130522744 /nfs/dbraw/zinc/52/27/44/1130522744.db2.gz LAWQOANWEKBWHZ-UHFFFAOYSA-N 1 2 337.489 3.916 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048709 1130523494 /nfs/dbraw/zinc/52/34/94/1130523494.db2.gz QNBOKDKIFHMJEN-YJBOKZPZSA-N 1 2 342.487 3.795 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)c1 ZINC000676148041 1130537018 /nfs/dbraw/zinc/53/70/18/1130537018.db2.gz RHRKESYGPMVQPJ-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO CC(C)(C)c1nc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000676240696 1130549973 /nfs/dbraw/zinc/54/99/73/1130549973.db2.gz VDCUARQPHRLZTC-UHFFFAOYSA-N 1 2 330.453 3.948 20 0 EHADLO CCCCn1c(SC[C@H]2CCCOC2)nnc1[C@@H](CC)[NH+](C)C ZINC000676234996 1130551671 /nfs/dbraw/zinc/55/16/71/1130551671.db2.gz XSOSQGDZOOCXTH-LSDHHAIUSA-N 1 2 340.537 3.610 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000535317274 1130590760 /nfs/dbraw/zinc/59/07/60/1130590760.db2.gz HONXHZWWUQCRLR-KRWDZBQOSA-N 1 2 349.459 3.727 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000535317274 1130590766 /nfs/dbraw/zinc/59/07/66/1130590766.db2.gz HONXHZWWUQCRLR-KRWDZBQOSA-N 1 2 349.459 3.727 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000727824837 1130597796 /nfs/dbraw/zinc/59/77/96/1130597796.db2.gz UBZOAJWAMWRMAI-AWEZNQCLSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000727824837 1130597798 /nfs/dbraw/zinc/59/77/98/1130597798.db2.gz UBZOAJWAMWRMAI-AWEZNQCLSA-N 1 2 333.457 3.637 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCc2ccccc2)C1 ZINC000728042365 1130620359 /nfs/dbraw/zinc/62/03/59/1130620359.db2.gz AAGGSWFXBGDHPZ-INIZCTEOSA-N 1 2 344.524 3.947 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCc2ccccc2)C1 ZINC000728042365 1130620362 /nfs/dbraw/zinc/62/03/62/1130620362.db2.gz AAGGSWFXBGDHPZ-INIZCTEOSA-N 1 2 344.524 3.947 20 0 EHADLO Cc1ccccc1C[N@@H+](Cn1c(=O)sc2c1CC[C@@H](C)C2)C1CC1 ZINC000728046866 1130621201 /nfs/dbraw/zinc/62/12/01/1130621201.db2.gz AMQAJMVUNJUOMW-CQSZACIVSA-N 1 2 342.508 3.965 20 0 EHADLO Cc1ccccc1C[N@H+](Cn1c(=O)sc2c1CC[C@@H](C)C2)C1CC1 ZINC000728046866 1130621204 /nfs/dbraw/zinc/62/12/04/1130621204.db2.gz AMQAJMVUNJUOMW-CQSZACIVSA-N 1 2 342.508 3.965 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000728043370 1130621403 /nfs/dbraw/zinc/62/14/03/1130621403.db2.gz FGMWIIPUNZTWIL-OCCSQVGLSA-N 1 2 334.510 3.891 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000728043370 1130621406 /nfs/dbraw/zinc/62/14/06/1130621406.db2.gz FGMWIIPUNZTWIL-OCCSQVGLSA-N 1 2 334.510 3.891 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660782 1130825237 /nfs/dbraw/zinc/82/52/37/1130825237.db2.gz UMERORMKVAAWIK-LAUBAEHRSA-N 1 2 333.435 3.970 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000731660782 1130825243 /nfs/dbraw/zinc/82/52/43/1130825243.db2.gz UMERORMKVAAWIK-LAUBAEHRSA-N 1 2 333.435 3.970 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000732054255 1130881376 /nfs/dbraw/zinc/88/13/76/1130881376.db2.gz OXCMAOITXBSKRX-PTNGSMBKSA-N 1 2 344.455 3.635 20 0 EHADLO CCc1nc(C[NH2+]CC(=O)Nc2cccc3ccccc32)cs1 ZINC000732231737 1130903467 /nfs/dbraw/zinc/90/34/67/1130903467.db2.gz XCJXDMCWQSHBFL-UHFFFAOYSA-N 1 2 325.437 3.587 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733290043 1131017875 /nfs/dbraw/zinc/01/78/75/1131017875.db2.gz VPOOOIGMELREII-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733290043 1131017880 /nfs/dbraw/zinc/01/78/80/1131017880.db2.gz VPOOOIGMELREII-CQSZACIVSA-N 1 2 328.378 3.599 20 0 EHADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000733306470 1131019960 /nfs/dbraw/zinc/01/99/60/1131019960.db2.gz BHBCAZFFUYHIEH-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO Fc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)cn1 ZINC000733798106 1131083372 /nfs/dbraw/zinc/08/33/72/1131083372.db2.gz JSGAKFCJOPBAAU-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940239 1131095185 /nfs/dbraw/zinc/09/51/85/1131095185.db2.gz DGBCAQOKJWRGDQ-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1)c1ccc(F)cc1 ZINC000347940239 1131095191 /nfs/dbraw/zinc/09/51/91/1131095191.db2.gz DGBCAQOKJWRGDQ-ZIAGYGMSSA-N 1 2 344.405 3.589 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000347995785 1131113761 /nfs/dbraw/zinc/11/37/61/1131113761.db2.gz PLWQUFPAXXDZNW-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000347995785 1131113765 /nfs/dbraw/zinc/11/37/65/1131113765.db2.gz PLWQUFPAXXDZNW-MRXNPFEDSA-N 1 2 336.794 3.618 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)c1c(C)nn(C)c1C ZINC000348043157 1131135812 /nfs/dbraw/zinc/13/58/12/1131135812.db2.gz LZJMMQYQPHJKKL-MRXNPFEDSA-N 1 2 339.443 3.636 20 0 EHADLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2)sc1=S ZINC000738076475 1131460331 /nfs/dbraw/zinc/46/03/31/1131460331.db2.gz NXDPCASRJPDTLB-CYBMUJFWSA-N 1 2 335.498 3.657 20 0 EHADLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2)sc1=S ZINC000738076475 1131460334 /nfs/dbraw/zinc/46/03/34/1131460334.db2.gz NXDPCASRJPDTLB-CYBMUJFWSA-N 1 2 335.498 3.657 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000738255650 1131464716 /nfs/dbraw/zinc/46/47/16/1131464716.db2.gz FRMXSWRYXSVBLF-WDYCEAGBSA-N 1 2 332.513 3.627 20 0 EHADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000738255650 1131464719 /nfs/dbraw/zinc/46/47/19/1131464719.db2.gz FRMXSWRYXSVBLF-WDYCEAGBSA-N 1 2 332.513 3.627 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000738239726 1131465556 /nfs/dbraw/zinc/46/55/56/1131465556.db2.gz MTOROHKIDOTFJF-HNNXBMFYSA-N 1 2 331.489 3.514 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000738239726 1131465559 /nfs/dbraw/zinc/46/55/59/1131465559.db2.gz MTOROHKIDOTFJF-HNNXBMFYSA-N 1 2 331.489 3.514 20 0 EHADLO CCCc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738392129 1131469363 /nfs/dbraw/zinc/46/93/63/1131469363.db2.gz YDUOUOLRHIPYOM-UHFFFAOYSA-N 1 2 342.420 3.593 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCCOC(C)C)C1 ZINC000740858722 1131548980 /nfs/dbraw/zinc/54/89/80/1131548980.db2.gz YZSYUBUJDMQAKB-OAHLLOKOSA-N 1 2 340.533 3.519 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCCOC(C)C)C1 ZINC000740858722 1131548985 /nfs/dbraw/zinc/54/89/85/1131548985.db2.gz YZSYUBUJDMQAKB-OAHLLOKOSA-N 1 2 340.533 3.519 20 0 EHADLO Cc1cccc([C@@H](C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000741274149 1131589786 /nfs/dbraw/zinc/58/97/86/1131589786.db2.gz WAQXJDFUAMYJIB-KRWDZBQOSA-N 1 2 348.450 3.784 20 0 EHADLO CCOc1ccc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212574405 1131608256 /nfs/dbraw/zinc/60/82/56/1131608256.db2.gz DMRBNGQUYDOASJ-UHFFFAOYSA-N 1 2 333.819 3.714 20 0 EHADLO COc1c(C)c[nH+]c(CN2C[C@H](C)CN(C)c3ccccc32)c1C ZINC000741801565 1131651748 /nfs/dbraw/zinc/65/17/48/1131651748.db2.gz ZAXMNLHNNDNVEL-CQSZACIVSA-N 1 2 325.456 3.800 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)c2cccc(Cl)c2)c1C ZINC000741914542 1131667281 /nfs/dbraw/zinc/66/72/81/1131667281.db2.gz IDNIQAILAQQEPM-GFCCVEGCSA-N 1 2 332.831 3.780 20 0 EHADLO S=c1c2ccccc2nnn1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000742153397 1131694235 /nfs/dbraw/zinc/69/42/35/1131694235.db2.gz YOINQVQWUDUSSF-MRXNPFEDSA-N 1 2 336.464 3.683 20 0 EHADLO S=c1c2ccccc2nnn1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000742153397 1131694237 /nfs/dbraw/zinc/69/42/37/1131694237.db2.gz YOINQVQWUDUSSF-MRXNPFEDSA-N 1 2 336.464 3.683 20 0 EHADLO CC(C)c1cccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000742269819 1131700658 /nfs/dbraw/zinc/70/06/58/1131700658.db2.gz JIBYVKULQAKUTO-UHFFFAOYSA-N 1 2 342.420 3.763 20 0 EHADLO Cc1nc(N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc[nH+]1 ZINC000742406300 1131718949 /nfs/dbraw/zinc/71/89/49/1131718949.db2.gz JDKKXSDJTXVUEC-OAHLLOKOSA-N 1 2 334.464 3.671 20 0 EHADLO C/C(=C\C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)(C)C ZINC000742499844 1131739278 /nfs/dbraw/zinc/73/92/78/1131739278.db2.gz XJAFOGHLFCTEJP-NTCAYCPXSA-N 1 2 344.503 3.549 20 0 EHADLO CC(C)COCC[C@H](C)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172459641 1131751000 /nfs/dbraw/zinc/75/10/00/1131751000.db2.gz CDXPKDQIYLEVQW-KRWDZBQOSA-N 1 2 333.472 3.693 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000742633738 1131765619 /nfs/dbraw/zinc/76/56/19/1131765619.db2.gz GWKOSPHAAYKNNF-UZYOAWRESA-N 1 2 344.484 3.514 20 0 EHADLO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)C2)cc1 ZINC001172543918 1131783093 /nfs/dbraw/zinc/78/30/93/1131783093.db2.gz PQTLVXYAUKWBKA-MBDNFAEBSA-N 1 2 340.511 3.508 20 0 EHADLO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)C2)cc1 ZINC001172543918 1131783099 /nfs/dbraw/zinc/78/30/99/1131783099.db2.gz PQTLVXYAUKWBKA-MBDNFAEBSA-N 1 2 340.511 3.508 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172579817 1131792261 /nfs/dbraw/zinc/79/22/61/1131792261.db2.gz ZDYVKHFTTWIHPZ-MEBBXXQBSA-N 1 2 333.806 3.871 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1c(F)cccc1Cl)C1CCCC1 ZINC001172851313 1131871237 /nfs/dbraw/zinc/87/12/37/1131871237.db2.gz HDNQNOXBFFGUBO-ZBEGNZNMSA-N 1 2 327.827 3.732 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000743356546 1131899227 /nfs/dbraw/zinc/89/92/27/1131899227.db2.gz SEADRWZLILHNQH-MSOLQXFVSA-N 1 2 341.842 3.803 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000743356546 1131899231 /nfs/dbraw/zinc/89/92/31/1131899231.db2.gz SEADRWZLILHNQH-MSOLQXFVSA-N 1 2 341.842 3.803 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)c2=O ZINC000743366072 1131902263 /nfs/dbraw/zinc/90/22/63/1131902263.db2.gz NJBKXWBPGVZHKF-IBGZPJMESA-N 1 2 343.496 3.855 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CCC[C@@]3(CC=CCC3)C1)c2=O ZINC000743366072 1131902267 /nfs/dbraw/zinc/90/22/67/1131902267.db2.gz NJBKXWBPGVZHKF-IBGZPJMESA-N 1 2 343.496 3.855 20 0 EHADLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[NH+]1CCC(C(C)C)CC1 ZINC000743369801 1131904733 /nfs/dbraw/zinc/90/47/33/1131904733.db2.gz BFQSBXVYXXIAKF-UHFFFAOYSA-N 1 2 344.455 3.759 20 0 EHADLO COC(=O)c1cc(F)c(C)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699215 1131933024 /nfs/dbraw/zinc/93/30/24/1131933024.db2.gz UOICOKXBZDKCQB-UHFFFAOYSA-N 1 2 339.370 3.909 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2cccc(Cl)n2)cn1 ZINC000743850994 1131986047 /nfs/dbraw/zinc/98/60/47/1131986047.db2.gz GBIWWDWLRJRATA-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2cccc(Cl)n2)cn1 ZINC000743850994 1131986051 /nfs/dbraw/zinc/98/60/51/1131986051.db2.gz GBIWWDWLRJRATA-GOSISDBHSA-N 1 2 344.821 3.829 20 0 EHADLO CCCC[C@H](CC(C)C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC(C)(C)C ZINC001173251041 1132019018 /nfs/dbraw/zinc/01/90/18/1132019018.db2.gz YGVUJZGISBEENM-CVEARBPZSA-N 1 2 343.508 3.844 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)OCCOCCCc2cccc(C)[nH+]2)o1 ZINC000744134463 1132027654 /nfs/dbraw/zinc/02/76/54/1132027654.db2.gz SBCMQYKWHKNSMM-MRXNPFEDSA-N 1 2 331.412 3.588 20 0 EHADLO Cc1cc(CO)cc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001212753581 1132142549 /nfs/dbraw/zinc/14/25/49/1132142549.db2.gz ZPNGSGWYQILPEM-UHFFFAOYSA-N 1 2 332.201 3.641 20 0 EHADLO Cc1cc(F)ccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001173968635 1132186944 /nfs/dbraw/zinc/18/69/44/1132186944.db2.gz SASDVAMKWPRELQ-UHFFFAOYSA-N 1 2 330.403 3.589 20 0 EHADLO Cc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1C ZINC001173952881 1132192925 /nfs/dbraw/zinc/19/29/25/1132192925.db2.gz HVCDCYRSNTWSTK-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO CS(=O)(=O)c1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001174028509 1132218906 /nfs/dbraw/zinc/21/89/06/1132218906.db2.gz CAXQAHMXAUARJW-UHFFFAOYSA-N 1 2 330.453 3.824 20 0 EHADLO CC(C)NC(=O)c1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001174150204 1132256027 /nfs/dbraw/zinc/25/60/27/1132256027.db2.gz HJCIKGAKNTXOTJ-UHFFFAOYSA-N 1 2 334.423 3.813 20 0 EHADLO O=C(c1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1)N1CCCC1 ZINC001174170340 1132265773 /nfs/dbraw/zinc/26/57/73/1132265773.db2.gz QEPOQHYYWWVIAY-UHFFFAOYSA-N 1 2 332.407 3.852 20 0 EHADLO O=C(NCc1ccco1)c1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001174199263 1132280361 /nfs/dbraw/zinc/28/03/61/1132280361.db2.gz SXMKZUHDVHGRMV-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(S(C)(=O)=O)cc3)ccc21 ZINC001174380912 1132343571 /nfs/dbraw/zinc/34/35/71/1132343571.db2.gz AHOFBQGMXUXEAS-UHFFFAOYSA-N 1 2 329.425 3.764 20 0 EHADLO Cc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(C)s1 ZINC001174422194 1132347817 /nfs/dbraw/zinc/34/78/17/1132347817.db2.gz PAJJMABIBPUKNC-UHFFFAOYSA-N 1 2 332.469 3.820 20 0 EHADLO Cc1cccc(C[N@H+](CC(C)C)Cn2ncc3ccccc3c2=O)c1 ZINC000746053794 1132357698 /nfs/dbraw/zinc/35/76/98/1132357698.db2.gz NOEWJAOEGOUMEW-UHFFFAOYSA-N 1 2 335.451 3.821 20 0 EHADLO Cc1cccc(C[N@@H+](CC(C)C)Cn2ncc3ccccc3c2=O)c1 ZINC000746053794 1132357707 /nfs/dbraw/zinc/35/77/07/1132357707.db2.gz NOEWJAOEGOUMEW-UHFFFAOYSA-N 1 2 335.451 3.821 20 0 EHADLO Cc1cn2cccc(NC3=CCN(C(=O)OC(C)(C)C)CC3)c2[nH+]1 ZINC001174441081 1132357871 /nfs/dbraw/zinc/35/78/71/1132357871.db2.gz FFZXRSSFVPNOFH-UHFFFAOYSA-N 1 2 328.416 3.579 20 0 EHADLO CCOC(=O)CCc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1F ZINC001174411765 1132366678 /nfs/dbraw/zinc/36/66/78/1132366678.db2.gz ASMZWUUUIVBKQM-UHFFFAOYSA-N 1 2 327.359 3.893 20 0 EHADLO c1ccc(Nc2cccc(N3CCCC3)c2)c(C[NH+]2CCOCC2)c1 ZINC001174487561 1132370572 /nfs/dbraw/zinc/37/05/72/1132370572.db2.gz FFGADBLSAQERRF-UHFFFAOYSA-N 1 2 337.467 3.863 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@H+](CC[C@H]1CC1(Cl)Cl)CC2 ZINC001174593187 1132410109 /nfs/dbraw/zinc/41/01/09/1132410109.db2.gz KDEYYKPWCBZJTB-JTQLQIEISA-N 1 2 346.229 3.554 20 0 EHADLO COC(=O)c1ccc(F)c2c1C[N@@H+](CC[C@H]1CC1(Cl)Cl)CC2 ZINC001174593187 1132410113 /nfs/dbraw/zinc/41/01/13/1132410113.db2.gz KDEYYKPWCBZJTB-JTQLQIEISA-N 1 2 346.229 3.554 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188666018 1132438479 /nfs/dbraw/zinc/43/84/79/1132438479.db2.gz JPARQINOURMOLY-LJQANCHMSA-N 1 2 339.826 3.902 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000188666018 1132438480 /nfs/dbraw/zinc/43/84/80/1132438480.db2.gz JPARQINOURMOLY-LJQANCHMSA-N 1 2 339.826 3.902 20 0 EHADLO CN1c2ccccc2C[N@H+](CCOc2cccc3ccccc32)CC1=O ZINC001174652673 1132438809 /nfs/dbraw/zinc/43/88/09/1132438809.db2.gz NBTLNUUVQWLDOR-UHFFFAOYSA-N 1 2 346.430 3.697 20 0 EHADLO CN1c2ccccc2C[N@@H+](CCOc2cccc3ccccc32)CC1=O ZINC001174652673 1132438812 /nfs/dbraw/zinc/43/88/12/1132438812.db2.gz NBTLNUUVQWLDOR-UHFFFAOYSA-N 1 2 346.430 3.697 20 0 EHADLO CC[C@@H](OCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccccc1 ZINC001174651114 1132438876 /nfs/dbraw/zinc/43/88/76/1132438876.db2.gz CHDYOIFQLMNTRN-HXUWFJFHSA-N 1 2 338.451 3.633 20 0 EHADLO CC[C@@H](OCC[N@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccccc1 ZINC001174651114 1132438880 /nfs/dbraw/zinc/43/88/80/1132438880.db2.gz CHDYOIFQLMNTRN-HXUWFJFHSA-N 1 2 338.451 3.633 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000188859407 1132440290 /nfs/dbraw/zinc/44/02/90/1132440290.db2.gz NVZYNZCDKURBKG-INIZCTEOSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000188859407 1132440293 /nfs/dbraw/zinc/44/02/93/1132440293.db2.gz NVZYNZCDKURBKG-INIZCTEOSA-N 1 2 339.361 3.875 20 0 EHADLO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193307352 1132479089 /nfs/dbraw/zinc/47/90/89/1132479089.db2.gz KFQBWLFWORAGOG-QGZVFWFLSA-N 1 2 339.464 3.812 20 0 EHADLO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193307352 1132479093 /nfs/dbraw/zinc/47/90/93/1132479093.db2.gz KFQBWLFWORAGOG-QGZVFWFLSA-N 1 2 339.464 3.812 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+]3CC4(CCCC4)OC[C@@H]3C)co2)c1 ZINC001174854159 1132487478 /nfs/dbraw/zinc/48/74/78/1132487478.db2.gz PNCRVWZLEUONNR-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1cccc(-c2nc(C[N@H+]3CC4(CCCC4)OC[C@@H]3C)co2)c1 ZINC001174854159 1132487485 /nfs/dbraw/zinc/48/74/85/1132487485.db2.gz PNCRVWZLEUONNR-HNNXBMFYSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(OC)c1OC ZINC001174899881 1132498622 /nfs/dbraw/zinc/49/86/22/1132498622.db2.gz WLHGVVUPLMYMRO-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO Fc1cc(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC001174978612 1132511299 /nfs/dbraw/zinc/51/12/99/1132511299.db2.gz XKKIGSREWBTPGJ-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3cnn(-c4ccccc4)c3)nc2c1 ZINC000766377142 1132525877 /nfs/dbraw/zinc/52/58/77/1132525877.db2.gz GNIBRNPWUJGTOT-OAHLLOKOSA-N 1 2 331.423 3.908 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3cnn(-c4ccccc4)c3)[nH]c2c1 ZINC000766377142 1132525880 /nfs/dbraw/zinc/52/58/80/1132525880.db2.gz GNIBRNPWUJGTOT-OAHLLOKOSA-N 1 2 331.423 3.908 20 0 EHADLO C[C@@H]1c2ccccc2OCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766402916 1132530138 /nfs/dbraw/zinc/53/01/38/1132530138.db2.gz JIHCYSFFKCERDW-CYBMUJFWSA-N 1 2 337.427 3.541 20 0 EHADLO CC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC001174979253 1132533176 /nfs/dbraw/zinc/53/31/76/1132533176.db2.gz IKMXWLGEQVEBEK-UHFFFAOYSA-N 1 2 331.803 3.518 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@](C)(COC)C1 ZINC001175063288 1132538830 /nfs/dbraw/zinc/53/88/30/1132538830.db2.gz XMHWLMHHSWPBCQ-HOTGVXAUSA-N 1 2 342.277 3.638 20 0 EHADLO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@](C)(COC)C1 ZINC001175063288 1132538834 /nfs/dbraw/zinc/53/88/34/1132538834.db2.gz XMHWLMHHSWPBCQ-HOTGVXAUSA-N 1 2 342.277 3.638 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@H+]3CCC[C@H](C(C)C)CC3)c2=S)n1 ZINC000738237580 1132551051 /nfs/dbraw/zinc/55/10/51/1132551051.db2.gz AHQSFQIFZZGXNE-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1cc(C)n2c(nn(C[N@@H+]3CCC[C@H](C(C)C)CC3)c2=S)n1 ZINC000738237580 1132551056 /nfs/dbraw/zinc/55/10/56/1132551056.db2.gz AHQSFQIFZZGXNE-HNNXBMFYSA-N 1 2 333.505 3.593 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CC=C(c3ccc(Cl)cc3C)CC2)n1 ZINC001175140422 1132579096 /nfs/dbraw/zinc/57/90/96/1132579096.db2.gz MCHCQYYYZFSCIJ-UHFFFAOYSA-N 1 2 330.863 3.858 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CC=C(c3ccc(Cl)cc3C)CC2)n1 ZINC001175140422 1132579101 /nfs/dbraw/zinc/57/91/01/1132579101.db2.gz MCHCQYYYZFSCIJ-UHFFFAOYSA-N 1 2 330.863 3.858 20 0 EHADLO Cc1ccc([C@@H](C)Nc2ccc(C)cc2C[NH+]2CCOCC2)nc1 ZINC001168860106 1132582842 /nfs/dbraw/zinc/58/28/42/1132582842.db2.gz HHIDXTIBIGEEEK-QGZVFWFLSA-N 1 2 325.456 3.704 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1OC(C)C ZINC001175192882 1132583654 /nfs/dbraw/zinc/58/36/54/1132583654.db2.gz XYJKUHISKUNTKC-UHFFFAOYSA-N 1 2 327.428 3.757 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1Cl)[NH2+]CCCC(C)(F)F ZINC001175173471 1132588785 /nfs/dbraw/zinc/58/87/85/1132588785.db2.gz IYHYPEXHPKWHCB-AWEZNQCLSA-N 1 2 333.806 3.839 20 0 EHADLO CCOC(=O)C[N@H+](C[C@H](O)CC1CCCC1)[C@H](C)c1ccccc1 ZINC001168893412 1132589870 /nfs/dbraw/zinc/58/98/70/1132589870.db2.gz HWYPVNVXFHHGGK-VQIMIIECSA-N 1 2 333.472 3.554 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@H](O)CC1CCCC1)[C@H](C)c1ccccc1 ZINC001168893412 1132589877 /nfs/dbraw/zinc/58/98/77/1132589877.db2.gz HWYPVNVXFHHGGK-VQIMIIECSA-N 1 2 333.472 3.554 20 0 EHADLO Clc1ccnc(CN2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC001168932540 1132607532 /nfs/dbraw/zinc/60/75/32/1132607532.db2.gz LJCCWSPEQVTXRX-UHFFFAOYSA-N 1 2 337.254 3.860 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301176 1132609453 /nfs/dbraw/zinc/60/94/53/1132609453.db2.gz NXWYQSGRDXRAAN-ZWNOBZJWSA-N 1 2 328.243 3.640 20 0 EHADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001175301176 1132609457 /nfs/dbraw/zinc/60/94/57/1132609457.db2.gz NXWYQSGRDXRAAN-ZWNOBZJWSA-N 1 2 328.243 3.640 20 0 EHADLO CCOC(=O)c1cnc2c(cccc2Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175345787 1132628532 /nfs/dbraw/zinc/62/85/32/1132628532.db2.gz HYWJJTXPLXPLFP-UHFFFAOYSA-N 1 2 336.395 3.616 20 0 EHADLO CCOC(=O)c1ccc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349636 1132646060 /nfs/dbraw/zinc/64/60/60/1132646060.db2.gz BNCXTJKEAHBJFW-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001169154152 1132680681 /nfs/dbraw/zinc/68/06/81/1132680681.db2.gz VAFPSJQCHUAWKM-ZDUSSCGKSA-N 1 2 347.484 3.568 20 0 EHADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001169154152 1132680686 /nfs/dbraw/zinc/68/06/86/1132680686.db2.gz VAFPSJQCHUAWKM-ZDUSSCGKSA-N 1 2 347.484 3.568 20 0 EHADLO CC(C)=C[C@H]1[C@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1(C)C ZINC001169159709 1132681557 /nfs/dbraw/zinc/68/15/57/1132681557.db2.gz VXWUIUXVUXDGQD-PKOBYXMFSA-N 1 2 337.467 3.905 20 0 EHADLO C[Si](C)(C)CCCC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169169116 1132691320 /nfs/dbraw/zinc/69/13/20/1132691320.db2.gz VYIOZZDFGYNQKY-UHFFFAOYSA-N 1 2 329.520 3.785 20 0 EHADLO Clc1cncc(Cl)c1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001169183384 1132694101 /nfs/dbraw/zinc/69/41/01/1132694101.db2.gz IJUVXBLNHCVJLR-UHFFFAOYSA-N 1 2 334.210 3.640 20 0 EHADLO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(Cl)n1 ZINC001169216067 1132697694 /nfs/dbraw/zinc/69/76/94/1132697694.db2.gz DLULJRYKGGFJNZ-KRWDZBQOSA-N 1 2 326.831 3.656 20 0 EHADLO Cc1ccc(CCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001175602582 1132708956 /nfs/dbraw/zinc/70/89/56/1132708956.db2.gz CBILDPCNZQIXRG-UHFFFAOYSA-N 1 2 339.464 3.833 20 0 EHADLO FC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC001175561432 1132711922 /nfs/dbraw/zinc/71/19/22/1132711922.db2.gz TVOOXEBFNQRJPK-LJQANCHMSA-N 1 2 327.378 3.871 20 0 EHADLO Cn1cc2ccc(Nc3ccc4[nH+]cc(Br)n4c3)cc2n1 ZINC001175610718 1132725579 /nfs/dbraw/zinc/72/55/79/1132725579.db2.gz JICPTEWFHBWMEG-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3[nH]c(=O)sc3c2)c[nH+]1 ZINC001175712552 1132740255 /nfs/dbraw/zinc/74/02/55/1132740255.db2.gz DBVRVGUNZAKPCY-UHFFFAOYSA-N 1 2 326.303 3.742 20 0 EHADLO COCCOc1cccc(F)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713337 1132740505 /nfs/dbraw/zinc/74/05/05/1132740505.db2.gz DCWJHNHMRIKWKC-UHFFFAOYSA-N 1 2 345.296 3.591 20 0 EHADLO Brc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)s1 ZINC001175715030 1132742233 /nfs/dbraw/zinc/74/22/33/1132742233.db2.gz LOAZMINDKKSCEO-KBPBESRZSA-N 1 2 349.297 3.974 20 0 EHADLO Brc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)s1 ZINC001175715030 1132742237 /nfs/dbraw/zinc/74/22/37/1132742237.db2.gz LOAZMINDKKSCEO-KBPBESRZSA-N 1 2 349.297 3.974 20 0 EHADLO FC(F)Oc1c(Br)cccc1C[NH+]1CCC(F)CC1 ZINC001175733699 1132747345 /nfs/dbraw/zinc/74/73/45/1132747345.db2.gz PWMWTYYTFUGLFX-UHFFFAOYSA-N 1 2 338.167 3.984 20 0 EHADLO C[C@@H]1CCc2c(C(=O)NCCCN(C)c3cccc[nH+]3)csc2C1 ZINC001175708694 1132754946 /nfs/dbraw/zinc/75/49/46/1132754946.db2.gz ULKATTOQHUVJHL-CQSZACIVSA-N 1 2 343.496 3.524 20 0 EHADLO COC(=O)C1(c2ccc(Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001175920065 1132797921 /nfs/dbraw/zinc/79/79/21/1132797921.db2.gz ZVPROLIRXTZCAW-UHFFFAOYSA-N 1 2 333.391 3.821 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1F ZINC001176135718 1132843261 /nfs/dbraw/zinc/84/32/61/1132843261.db2.gz CJNAQHURKIABMR-CYBMUJFWSA-N 1 2 340.414 3.762 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1F ZINC001176135718 1132843269 /nfs/dbraw/zinc/84/32/69/1132843269.db2.gz CJNAQHURKIABMR-CYBMUJFWSA-N 1 2 340.414 3.762 20 0 EHADLO Clc1nc(CNc2cc3cc[nH]c3c[nH+]2)ccc1Br ZINC001169816075 1132866615 /nfs/dbraw/zinc/86/66/15/1132866615.db2.gz HPGWWAQJGFNBSQ-UHFFFAOYSA-N 1 2 337.608 3.986 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cc(C(=O)N2CCCC2)ccc1F ZINC001176210113 1132875182 /nfs/dbraw/zinc/87/51/82/1132875182.db2.gz DKABSELMPCOLQG-UHFFFAOYSA-N 1 2 329.375 3.599 20 0 EHADLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cnc(C)nc1 ZINC001176395537 1132930627 /nfs/dbraw/zinc/93/06/27/1132930627.db2.gz UUUJGWUWUBYOPT-UHFFFAOYSA-N 1 2 332.205 3.556 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2c(C)cccc2C)c1C ZINC000767198331 1132965493 /nfs/dbraw/zinc/96/54/93/1132965493.db2.gz ZBWHRCSTDIXJED-UHFFFAOYSA-N 1 2 341.455 3.665 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@@H+]([C@H](C)c1ccccc1F)C2 ZINC001176658732 1132986568 /nfs/dbraw/zinc/98/65/68/1132986568.db2.gz WJWGTKSHTLHRAM-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@H+]([C@H](C)c1ccccc1F)C2 ZINC001176658732 1132986576 /nfs/dbraw/zinc/98/65/76/1132986576.db2.gz WJWGTKSHTLHRAM-CYBMUJFWSA-N 1 2 329.371 3.568 20 0 EHADLO Fc1cc(Nc2ccc[nH+]c2N2CCCC2)cnc1Br ZINC001176748840 1132991640 /nfs/dbraw/zinc/99/16/40/1132991640.db2.gz DKKXICMPHJKBKF-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO CC(C)(C)c1cc(Nc2ccc[nH+]c2N2CCCC2)c(C(N)=O)s1 ZINC001176750017 1132992885 /nfs/dbraw/zinc/99/28/85/1132992885.db2.gz MALNMNOLDSHBQT-UHFFFAOYSA-N 1 2 344.484 3.883 20 0 EHADLO COC(Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1)OC ZINC001176750777 1132993040 /nfs/dbraw/zinc/99/30/40/1132993040.db2.gz MASUAVCHOTVLNY-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO C[C@@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000767432130 1133000813 /nfs/dbraw/zinc/00/08/13/1133000813.db2.gz FEHSMYBRBYBMIS-KOLCDFICSA-N 1 2 345.315 3.662 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001176873208 1133007060 /nfs/dbraw/zinc/00/70/60/1133007060.db2.gz APQZKALNYJBSHA-UHFFFAOYSA-N 1 2 335.411 3.500 20 0 EHADLO CC1(C)C[NH+](Cn2nc(N3CCCC3)sc2=S)CC(C)(C)C1 ZINC000767515047 1133011528 /nfs/dbraw/zinc/01/15/28/1133011528.db2.gz QTTMGGVZODIEFU-UHFFFAOYSA-N 1 2 340.562 3.990 20 0 EHADLO Nc1cccc2cccc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)c12 ZINC001176967651 1133017340 /nfs/dbraw/zinc/01/73/40/1133017340.db2.gz SHJPZURQFRPCOX-INIZCTEOSA-N 1 2 346.434 3.672 20 0 EHADLO CCC(=O)Nc1cccc(C[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC001177308014 1133057292 /nfs/dbraw/zinc/05/72/92/1133057292.db2.gz LHRCXXMPKRWHME-UHFFFAOYSA-N 1 2 327.359 3.605 20 0 EHADLO COc1ccc(OCCCSCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000767869651 1133061610 /nfs/dbraw/zinc/06/16/10/1133061610.db2.gz NEGQQIRQYSMZHK-UHFFFAOYSA-N 1 2 332.469 3.859 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)c2cccc[nH+]2)cc1 ZINC001177417303 1133063231 /nfs/dbraw/zinc/06/32/31/1133063231.db2.gz NQLZIAYYHRUEEB-INIZCTEOSA-N 1 2 325.456 3.594 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccco3)sc2c1 ZINC001177613171 1133087233 /nfs/dbraw/zinc/08/72/33/1133087233.db2.gz RYJCLCMQFOZVIQ-OAHLLOKOSA-N 1 2 341.436 3.801 20 0 EHADLO Cc1ccc2nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccco3)sc2c1 ZINC001177613171 1133087236 /nfs/dbraw/zinc/08/72/36/1133087236.db2.gz RYJCLCMQFOZVIQ-OAHLLOKOSA-N 1 2 341.436 3.801 20 0 EHADLO Fc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1F ZINC001204201421 1133090652 /nfs/dbraw/zinc/09/06/52/1133090652.db2.gz XJQWEWXEBMOSGY-HNNXBMFYSA-N 1 2 330.369 3.660 20 0 EHADLO Cc1cccc(C(=O)N2CC[NH+](CCc3cccc(Cl)c3)CC2)c1 ZINC000096700724 1133099714 /nfs/dbraw/zinc/09/97/14/1133099714.db2.gz UOWMLQRZQMCFEQ-UHFFFAOYSA-N 1 2 342.870 3.649 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000768154134 1133102320 /nfs/dbraw/zinc/10/23/20/1133102320.db2.gz BLDRYEKHXITFQT-CYBMUJFWSA-N 1 2 343.814 3.840 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000768248945 1133117614 /nfs/dbraw/zinc/11/76/14/1133117614.db2.gz LJCYMRJOVTXITF-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000768248945 1133117617 /nfs/dbraw/zinc/11/76/17/1133117617.db2.gz LJCYMRJOVTXITF-KRWDZBQOSA-N 1 2 347.890 3.812 20 0 EHADLO Fc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc3[nH+]ccn32)c1 ZINC001178007473 1133123508 /nfs/dbraw/zinc/12/35/08/1133123508.db2.gz VBDUSOPTNBQGHV-INIZCTEOSA-N 1 2 341.386 3.643 20 0 EHADLO CN(Cc1ccccc1Oc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177995132 1133127147 /nfs/dbraw/zinc/12/71/47/1133127147.db2.gz RKOWIUJFHOHPFT-UHFFFAOYSA-N 1 2 335.407 3.793 20 0 EHADLO CCn1nncc1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001178184323 1133140289 /nfs/dbraw/zinc/14/02/89/1133140289.db2.gz MTAKPPVNQJQYCT-SFHVURJKSA-N 1 2 344.821 3.970 20 0 EHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000768510661 1133147272 /nfs/dbraw/zinc/14/72/72/1133147272.db2.gz URJWIOCTPDJAOG-UXHICEINSA-N 1 2 345.870 3.973 20 0 EHADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000768510661 1133147275 /nfs/dbraw/zinc/14/72/75/1133147275.db2.gz URJWIOCTPDJAOG-UXHICEINSA-N 1 2 345.870 3.973 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542101 1133153170 /nfs/dbraw/zinc/15/31/70/1133153170.db2.gz IQAUSPPAEJAJBI-ZIAGYGMSSA-N 1 2 336.501 3.543 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542101 1133153175 /nfs/dbraw/zinc/15/31/75/1133153175.db2.gz IQAUSPPAEJAJBI-ZIAGYGMSSA-N 1 2 336.501 3.543 20 0 EHADLO Cc1cc(-c2ccc(CC(=O)Nc3cccc4[nH+]ccn43)cc2)ccn1 ZINC001178375139 1133160735 /nfs/dbraw/zinc/16/07/35/1133160735.db2.gz KWEMTKVXMPMPGS-UHFFFAOYSA-N 1 2 342.402 3.886 20 0 EHADLO CCc1[nH]c(CNC(=O)c2sc(-c3ccccc3C)nc2C)c[nH+]1 ZINC001178670344 1133188836 /nfs/dbraw/zinc/18/88/36/1133188836.db2.gz VZUKOXKAUMVNCK-UHFFFAOYSA-N 1 2 340.452 3.642 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2sc(-c3ccccc3C)nc2C)[nH+]1 ZINC001178670344 1133188839 /nfs/dbraw/zinc/18/88/39/1133188839.db2.gz VZUKOXKAUMVNCK-UHFFFAOYSA-N 1 2 340.452 3.642 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccn(-c3ccccc3)n2)o1 ZINC000768918496 1133203175 /nfs/dbraw/zinc/20/31/75/1133203175.db2.gz JNXCVTDWNYTUGB-UHFFFAOYSA-N 1 2 347.422 3.796 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)o1 ZINC000768918496 1133203181 /nfs/dbraw/zinc/20/31/81/1133203181.db2.gz JNXCVTDWNYTUGB-UHFFFAOYSA-N 1 2 347.422 3.796 20 0 EHADLO CCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000769019492 1133214549 /nfs/dbraw/zinc/21/45/49/1133214549.db2.gz GGRXWNKROFYUQQ-MOPGFXCFSA-N 1 2 340.471 3.991 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000769046693 1133217979 /nfs/dbraw/zinc/21/79/79/1133217979.db2.gz HJMCDPYDWWMHAN-DLBZAZTESA-N 1 2 334.508 3.767 20 0 EHADLO Cc1cc(Br)c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)s1 ZINC001179091976 1133227741 /nfs/dbraw/zinc/22/77/41/1133227741.db2.gz FOJKDZQFTWLSJA-UHFFFAOYSA-N 1 2 342.262 3.596 20 0 EHADLO Cc1cc(Br)c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)s1 ZINC001179091976 1133227746 /nfs/dbraw/zinc/22/77/46/1133227746.db2.gz FOJKDZQFTWLSJA-UHFFFAOYSA-N 1 2 342.262 3.596 20 0 EHADLO Fc1ncc(Br)cc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC001206376564 1133242418 /nfs/dbraw/zinc/24/24/18/1133242418.db2.gz JIAGKJUSTXUEKD-DZGCQCFKSA-N 1 2 339.183 3.710 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000769232694 1133246495 /nfs/dbraw/zinc/24/64/95/1133246495.db2.gz LWPNHWIBOXBJFX-GFCCVEGCSA-N 1 2 328.840 3.764 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000769232694 1133246500 /nfs/dbraw/zinc/24/65/00/1133246500.db2.gz LWPNHWIBOXBJFX-GFCCVEGCSA-N 1 2 328.840 3.764 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC000769388279 1133275121 /nfs/dbraw/zinc/27/51/21/1133275121.db2.gz KQJZSTCVUMZGHC-BETUJISGSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC000769388279 1133275130 /nfs/dbraw/zinc/27/51/30/1133275130.db2.gz KQJZSTCVUMZGHC-BETUJISGSA-N 1 2 339.505 3.535 20 0 EHADLO Cc1ccc(CC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001179935886 1133302080 /nfs/dbraw/zinc/30/20/80/1133302080.db2.gz DPXMHTCTTPQFID-UHFFFAOYSA-N 1 2 337.398 3.521 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)[nH]c1C(C)C ZINC001180076557 1133325003 /nfs/dbraw/zinc/32/50/03/1133325003.db2.gz IUTBGMAQEKIBRF-UHFFFAOYSA-N 1 2 348.487 3.850 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCOC3(C2)CCCCCC3)[nH]c1C(C)C ZINC001180076557 1133325010 /nfs/dbraw/zinc/32/50/10/1133325010.db2.gz IUTBGMAQEKIBRF-UHFFFAOYSA-N 1 2 348.487 3.850 20 0 EHADLO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc2ccccc2c1O ZINC000769707152 1133332828 /nfs/dbraw/zinc/33/28/28/1133332828.db2.gz WVEFIUQGBLOTMI-UHFFFAOYSA-N 1 2 344.374 3.687 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(C)n1 ZINC001180161931 1133340204 /nfs/dbraw/zinc/34/02/04/1133340204.db2.gz RUUYXNHMQGKASB-IBGZPJMESA-N 1 2 337.471 3.825 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(C)n1 ZINC001180161931 1133340209 /nfs/dbraw/zinc/34/02/09/1133340209.db2.gz RUUYXNHMQGKASB-IBGZPJMESA-N 1 2 337.471 3.825 20 0 EHADLO CCn1cnc(Cl)c1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC001180225643 1133346832 /nfs/dbraw/zinc/34/68/32/1133346832.db2.gz VDWAOFLNKNTZOM-KRWDZBQOSA-N 1 2 347.890 3.780 20 0 EHADLO CCn1cnc(Cl)c1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC001180225643 1133346839 /nfs/dbraw/zinc/34/68/39/1133346839.db2.gz VDWAOFLNKNTZOM-KRWDZBQOSA-N 1 2 347.890 3.780 20 0 EHADLO Cc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c(C(F)(F)F)o1 ZINC000769924170 1133368175 /nfs/dbraw/zinc/36/81/75/1133368175.db2.gz LWKBZZCGYOLVIX-UHFFFAOYSA-N 1 2 338.329 3.699 20 0 EHADLO Cc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c(C(F)(F)F)o1 ZINC000769924170 1133368180 /nfs/dbraw/zinc/36/81/80/1133368180.db2.gz LWKBZZCGYOLVIX-UHFFFAOYSA-N 1 2 338.329 3.699 20 0 EHADLO O=C(c1cccc2[nH+]ccn21)N1CCCc2cc(Cl)cc(F)c21 ZINC000770079662 1133385053 /nfs/dbraw/zinc/38/50/53/1133385053.db2.gz VBWYUHBZKSIFDA-UHFFFAOYSA-N 1 2 329.762 3.720 20 0 EHADLO CCCCCn1c2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000770422616 1133426664 /nfs/dbraw/zinc/42/66/64/1133426664.db2.gz YENNXQDCJKBCPG-UHFFFAOYSA-N 1 2 333.501 3.651 20 0 EHADLO O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH+]ccn21 ZINC001180910951 1133427623 /nfs/dbraw/zinc/42/76/23/1133427623.db2.gz AIWBEMAOBQSPIE-UHFFFAOYSA-N 1 2 333.313 3.924 20 0 EHADLO COc1ccc(-c2ccccc2NC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181262876 1133473917 /nfs/dbraw/zinc/47/39/17/1133473917.db2.gz BZNMTVMTTFROTR-UHFFFAOYSA-N 1 2 333.391 3.521 20 0 EHADLO CC(C)C(C)(C)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181360406 1133480662 /nfs/dbraw/zinc/48/06/62/1133480662.db2.gz QKEIWOASZGFXKS-UHFFFAOYSA-N 1 2 347.890 3.926 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Oc2cccnc2)cc1 ZINC000770911276 1133481031 /nfs/dbraw/zinc/48/10/31/1133481031.db2.gz RJONBWXTNQOKFM-UHFFFAOYSA-N 1 2 345.358 3.879 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921931 1133484561 /nfs/dbraw/zinc/48/45/61/1133484561.db2.gz GHNMNVXKFXGLSJ-AWEZNQCLSA-N 1 2 326.371 3.786 20 0 EHADLO O=C(Cc1ccc(C(F)(F)F)cc1)OCc1cccc2[nH+]ccn21 ZINC000770926188 1133485392 /nfs/dbraw/zinc/48/53/92/1133485392.db2.gz QLAXMGGFERCDMC-UHFFFAOYSA-N 1 2 334.297 3.639 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925816 1133485716 /nfs/dbraw/zinc/48/57/16/1133485716.db2.gz OTKMYZLBAMRAPI-UAGQMJEPSA-N 1 2 330.428 3.751 20 0 EHADLO Cc1ccc(Nc2ncc(Br)nc2N2CCCC2)c(C)[nH+]1 ZINC001203367253 1133488869 /nfs/dbraw/zinc/48/88/69/1133488869.db2.gz JUXQKKZFKGGALO-UHFFFAOYSA-N 1 2 348.248 3.595 20 0 EHADLO CCOC(=O)c1nc(Cl)c(Cl)nc1Nc1ccc(C)[nH+]c1C ZINC001203369592 1133574229 /nfs/dbraw/zinc/57/42/29/1133574229.db2.gz ARNQRKZZSASQAH-UHFFFAOYSA-N 1 2 341.198 3.716 20 0 EHADLO CC[N@@H+](Cc1cccc(Cl)c1)CN1Cc2ccc(F)cc2C1=O ZINC000771622712 1133578237 /nfs/dbraw/zinc/57/82/37/1133578237.db2.gz JXVSWNXWSXKMSQ-UHFFFAOYSA-N 1 2 332.806 3.915 20 0 EHADLO CC[N@H+](Cc1cccc(Cl)c1)CN1Cc2ccc(F)cc2C1=O ZINC000771622712 1133578241 /nfs/dbraw/zinc/57/82/41/1133578241.db2.gz JXVSWNXWSXKMSQ-UHFFFAOYSA-N 1 2 332.806 3.915 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(C2CC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000771734143 1133589507 /nfs/dbraw/zinc/58/95/07/1133589507.db2.gz TWMZGLHCTALDOX-KHYOSLBOSA-N 1 2 330.472 3.636 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(C2CC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000771734143 1133589511 /nfs/dbraw/zinc/58/95/11/1133589511.db2.gz TWMZGLHCTALDOX-KHYOSLBOSA-N 1 2 330.472 3.636 20 0 EHADLO O=C(Nc1ncccn1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242399 1133607008 /nfs/dbraw/zinc/60/70/08/1133607008.db2.gz BZHSSXVZNUWAGH-INIZCTEOSA-N 1 2 344.846 3.686 20 0 EHADLO Cc1c[nH]nc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242762 1133607027 /nfs/dbraw/zinc/60/70/27/1133607027.db2.gz DIPHCASEHACIET-MRXNPFEDSA-N 1 2 346.862 3.927 20 0 EHADLO Cc1ccc2c(c1)CCN2C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000774163448 1133626318 /nfs/dbraw/zinc/62/63/18/1133626318.db2.gz MNCDETZWHUGABR-UHFFFAOYSA-N 1 2 346.434 3.512 20 0 EHADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)c(Sc2ccccc2)n1 ZINC000772004589 1133627501 /nfs/dbraw/zinc/62/75/01/1133627501.db2.gz ZGURIBYVTJBDTO-UHFFFAOYSA-N 1 2 339.420 3.595 20 0 EHADLO O[C@H](CNc1ccc2c([nH+]1)CCOC2)c1c(Cl)cccc1Cl ZINC001170037689 1133637843 /nfs/dbraw/zinc/63/78/43/1133637843.db2.gz AGLUGQAWCJMIRY-CQSZACIVSA-N 1 2 339.222 3.607 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000772182622 1133650083 /nfs/dbraw/zinc/65/00/83/1133650083.db2.gz LIRIQGSPTXVBSA-HUUCEWRRSA-N 1 2 342.817 3.623 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000772182622 1133650086 /nfs/dbraw/zinc/65/00/86/1133650086.db2.gz LIRIQGSPTXVBSA-HUUCEWRRSA-N 1 2 342.817 3.623 20 0 EHADLO C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)CC1 ZINC001182595553 1133706435 /nfs/dbraw/zinc/70/64/35/1133706435.db2.gz TVWVTQMPJSTABF-NJAFHUGGSA-N 1 2 332.488 3.893 20 0 EHADLO O[C@]1(c2ccc(Cl)cc2)CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC001182704400 1133720700 /nfs/dbraw/zinc/72/07/00/1133720700.db2.gz NQLCCBCZAJGDDQ-OAHLLOKOSA-N 1 2 343.279 3.934 20 0 EHADLO O[C@]1(c2ccc(Cl)cc2)CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC001182704400 1133720704 /nfs/dbraw/zinc/72/07/04/1133720704.db2.gz NQLCCBCZAJGDDQ-OAHLLOKOSA-N 1 2 343.279 3.934 20 0 EHADLO COc1ccc([C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)C)cc1 ZINC001182989365 1133754635 /nfs/dbraw/zinc/75/46/35/1133754635.db2.gz NOZVVXKXWXGMLR-WMZOPIPTSA-N 1 2 341.455 3.564 20 0 EHADLO Clc1cccc(Cl)c1C[N@H+](CCO[C@H]1CCOC1)C1CC1 ZINC001170051621 1133765694 /nfs/dbraw/zinc/76/56/94/1133765694.db2.gz IAMZSIPZNPWKOF-ZDUSSCGKSA-N 1 2 330.255 3.763 20 0 EHADLO Clc1cccc(Cl)c1C[N@@H+](CCO[C@H]1CCOC1)C1CC1 ZINC001170051621 1133765700 /nfs/dbraw/zinc/76/57/00/1133765700.db2.gz IAMZSIPZNPWKOF-ZDUSSCGKSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1nc2c(F)cccc2cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747591 1133852441 /nfs/dbraw/zinc/85/24/41/1133852441.db2.gz KVRVJOGEZPJSED-IBGZPJMESA-N 1 2 349.409 3.895 20 0 EHADLO Cc1nc2c(F)cccc2cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747591 1133852448 /nfs/dbraw/zinc/85/24/48/1133852448.db2.gz KVRVJOGEZPJSED-IBGZPJMESA-N 1 2 349.409 3.895 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c2ccsc2n1 ZINC001183747670 1133853236 /nfs/dbraw/zinc/85/32/36/1133853236.db2.gz LPOVZLIHLLGEFY-QGZVFWFLSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c2ccsc2n1 ZINC001183747670 1133853241 /nfs/dbraw/zinc/85/32/41/1133853241.db2.gz LPOVZLIHLLGEFY-QGZVFWFLSA-N 1 2 337.448 3.818 20 0 EHADLO O=C(Oc1ccc2oc3ccccc3c2c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000786706794 1133888213 /nfs/dbraw/zinc/88/82/13/1133888213.db2.gz GQDASGVJLSPPKU-ZDUSSCGKSA-N 1 2 332.359 3.951 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CCC(C2(C)OCCO2)CC1 ZINC000786792724 1133904917 /nfs/dbraw/zinc/90/49/17/1133904917.db2.gz GVQXJRDUDQAXPO-UHFFFAOYSA-N 1 2 342.439 3.531 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2csc(Cl)c2)n1 ZINC000786814568 1133910421 /nfs/dbraw/zinc/91/04/21/1133910421.db2.gz POPJGVHMRDFROV-UHFFFAOYSA-N 1 2 329.878 3.952 20 0 EHADLO COC(=O)c1ccc(CNc2[nH+]c3ccccc3n2C2CCCC2)[nH]1 ZINC001184462328 1133943237 /nfs/dbraw/zinc/94/32/37/1133943237.db2.gz KHCSXOFHIDSSFR-UHFFFAOYSA-N 1 2 338.411 3.878 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001184504481 1133953752 /nfs/dbraw/zinc/95/37/52/1133953752.db2.gz HLBGJJMYZDPJOH-UONOGXRCSA-N 1 2 342.443 3.603 20 0 EHADLO CCN(Cc1ccc2c(c1)OCO2)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001184729935 1133984551 /nfs/dbraw/zinc/98/45/51/1133984551.db2.gz QNPXIOLKLDEKOR-UHFFFAOYSA-N 1 2 325.412 3.808 20 0 EHADLO O=C1c2cccc(Nc3ccc[nH+]c3N3CCCC3)c2CN1C1CC1 ZINC001185043388 1134023461 /nfs/dbraw/zinc/02/34/61/1134023461.db2.gz MZKQAWJRSGFYOI-UHFFFAOYSA-N 1 2 334.423 3.544 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000788020264 1134074709 /nfs/dbraw/zinc/07/47/09/1134074709.db2.gz OWVDDJHWTRKFRA-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000788020264 1134074718 /nfs/dbraw/zinc/07/47/18/1134074718.db2.gz OWVDDJHWTRKFRA-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2(c3ccccc3C)CCC2)c1C ZINC000788189823 1134098482 /nfs/dbraw/zinc/09/84/82/1134098482.db2.gz IJRDYBOHRLBAJA-UHFFFAOYSA-N 1 2 338.451 3.754 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC=CCC1 ZINC000788242853 1134099891 /nfs/dbraw/zinc/09/98/91/1134099891.db2.gz LKFZTHPWUOBKCK-CVEARBPZSA-N 1 2 327.472 3.787 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000788242853 1134099897 /nfs/dbraw/zinc/09/98/97/1134099897.db2.gz LKFZTHPWUOBKCK-CVEARBPZSA-N 1 2 327.472 3.787 20 0 EHADLO Cc1nscc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788249703 1134100725 /nfs/dbraw/zinc/10/07/25/1134100725.db2.gz VYNQQFNHKVHMOH-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1nscc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788249703 1134100729 /nfs/dbraw/zinc/10/07/29/1134100729.db2.gz VYNQQFNHKVHMOH-CYBMUJFWSA-N 1 2 344.484 3.510 20 0 EHADLO C[C@@H](Oc1ccc(C(=O)OCc2c[nH+]cn2C)cc1)c1ccccc1 ZINC000788367095 1134117391 /nfs/dbraw/zinc/11/73/91/1134117391.db2.gz XKRATQUAEHARAC-OAHLLOKOSA-N 1 2 336.391 3.917 20 0 EHADLO CC1(C)CC[N@H+](Cn2[nH]c(-c3ccccc3)nc2=S)CCS1 ZINC000788378614 1134119043 /nfs/dbraw/zinc/11/90/43/1134119043.db2.gz RGWUBTDLCGXHGO-UHFFFAOYSA-N 1 2 334.514 3.783 20 0 EHADLO CC1(C)CC[N@@H+](Cn2[nH]c(-c3ccccc3)nc2=S)CCS1 ZINC000788378614 1134119048 /nfs/dbraw/zinc/11/90/48/1134119048.db2.gz RGWUBTDLCGXHGO-UHFFFAOYSA-N 1 2 334.514 3.783 20 0 EHADLO Clc1cccc2c1[C@@H]([NH2+]CCc1ccc3cn[nH]c3c1)COC2 ZINC000788816445 1134176214 /nfs/dbraw/zinc/17/62/14/1134176214.db2.gz GXXCVWSALJJONP-KRWDZBQOSA-N 1 2 327.815 3.620 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001186267849 1134190716 /nfs/dbraw/zinc/19/07/16/1134190716.db2.gz RVQFJUHHMFDZTH-LBPRGKRZSA-N 1 2 337.345 3.757 20 0 EHADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170093231 1134199717 /nfs/dbraw/zinc/19/97/17/1134199717.db2.gz YTVCKJFBMPKXIM-KFWWJZLASA-N 1 2 341.492 3.597 20 0 EHADLO Nc1cc(Cl)[nH+]c(NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000154797670 1134210863 /nfs/dbraw/zinc/21/08/63/1134210863.db2.gz DKKMWXPTDUWYDO-SNVBAGLBSA-N 1 2 332.618 3.770 20 0 EHADLO C[C@H](CCOC(=O)[C@H](c1ccccc1)[NH+](C)C)OCc1ccccc1 ZINC000789082523 1134219619 /nfs/dbraw/zinc/21/96/19/1134219619.db2.gz IHEUODNDMMFXIH-XLIONFOSSA-N 1 2 341.451 3.828 20 0 EHADLO Cc1cc(CNc2nc(-c3ccncc3)nc3ccccc32)cc(C)[nH+]1 ZINC001186747561 1134251466 /nfs/dbraw/zinc/25/14/66/1134251466.db2.gz JUOPUOQABDQECW-UHFFFAOYSA-N 1 2 341.418 3.738 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N(C)C3CCCCC3)CC2)s1 ZINC001187146727 1134303766 /nfs/dbraw/zinc/30/37/66/1134303766.db2.gz MBLVIDSAJKYZLZ-UHFFFAOYSA-N 1 2 349.544 3.813 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)Nc1cc(Cl)cc(Cl)c1 ZINC001187169857 1134310363 /nfs/dbraw/zinc/31/03/63/1134310363.db2.gz KJGYKNFYXVUMBA-UHFFFAOYSA-N 1 2 326.183 3.589 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3n[nH]c4c3CCCC4)c2)[nH+]c1C ZINC000746884637 1134374589 /nfs/dbraw/zinc/37/45/89/1134374589.db2.gz SWXSPOSEATXDCZ-UHFFFAOYSA-N 1 2 335.411 3.548 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@H]1CCC(C)(C)CO1 ZINC001187757934 1134381511 /nfs/dbraw/zinc/38/15/11/1134381511.db2.gz QWPFAYMBBIGTQR-ZDUSSCGKSA-N 1 2 331.464 3.589 20 0 EHADLO C[C@H](c1cccc(NC(=S)Nc2ccsc2)c1)[NH+]1CCOCC1 ZINC000790319383 1134395282 /nfs/dbraw/zinc/39/52/82/1134395282.db2.gz ICDDPMPSAPIARR-CYBMUJFWSA-N 1 2 347.509 3.950 20 0 EHADLO Fc1cc(CNC(=S)Nc2ccsc2)ccc1-n1cc[nH+]c1 ZINC000790309617 1134401584 /nfs/dbraw/zinc/40/15/84/1134401584.db2.gz ZCTQIJQMYZVLQP-UHFFFAOYSA-N 1 2 332.429 3.560 20 0 EHADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)cc1F ZINC001188008217 1134412203 /nfs/dbraw/zinc/41/22/03/1134412203.db2.gz SGFIKNXPFDKPKY-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1Cn1ncc2c1cccc2Br ZINC000790478493 1134423592 /nfs/dbraw/zinc/42/35/92/1134423592.db2.gz PHPSIUDRSZWSTP-NSHDSACASA-N 1 2 340.290 3.584 20 0 EHADLO C[C@H]1CCSCC[N@H+]1Cn1ncc2c1cccc2Br ZINC000790478493 1134423595 /nfs/dbraw/zinc/42/35/95/1134423595.db2.gz PHPSIUDRSZWSTP-NSHDSACASA-N 1 2 340.290 3.584 20 0 EHADLO CSc1ccc(NC(=O)NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC001188119106 1134429951 /nfs/dbraw/zinc/42/99/51/1134429951.db2.gz CHYXFBBFFCQWPO-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO O=C(Nc1ccc2ccccc2c1)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001188584242 1134484834 /nfs/dbraw/zinc/48/48/34/1134484834.db2.gz RUUAAMRURFYEQR-UHFFFAOYSA-N 1 2 348.406 3.715 20 0 EHADLO Cc1nc(-c2cccc(C(=O)Nc3cc[nH+]c4c3CCC4)c2)cs1 ZINC001188825500 1134513798 /nfs/dbraw/zinc/51/37/98/1134513798.db2.gz GXSFPSNUJACCLO-UHFFFAOYSA-N 1 2 335.432 3.676 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ncoc1C(C)C ZINC000791382203 1134538067 /nfs/dbraw/zinc/53/80/67/1134538067.db2.gz MPHQHSXXMKGGGV-UHFFFAOYSA-N 1 2 325.368 3.649 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccncc1Cl ZINC000791403541 1134545513 /nfs/dbraw/zinc/54/55/13/1134545513.db2.gz IJMFXUOZGSTAAY-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO CC(=O)CC(C)(C)CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791458272 1134559750 /nfs/dbraw/zinc/55/97/50/1134559750.db2.gz NLCAUELLGOFCSR-UHFFFAOYSA-N 1 2 328.412 3.619 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000791604752 1134581709 /nfs/dbraw/zinc/58/17/09/1134581709.db2.gz YQMIDGFBFNPUQL-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000791604752 1134581715 /nfs/dbraw/zinc/58/17/15/1134581715.db2.gz YQMIDGFBFNPUQL-UHFFFAOYSA-N 1 2 335.860 3.527 20 0 EHADLO Nc1cc(COC(=O)c2ccccc2SC(F)(F)F)cc[nH+]1 ZINC000791693676 1134591763 /nfs/dbraw/zinc/59/17/63/1134591763.db2.gz HQMQMICEFXUQGS-UHFFFAOYSA-N 1 2 328.315 3.633 20 0 EHADLO O=C1CCCN1c1cccc(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000077170522 1134646704 /nfs/dbraw/zinc/64/67/04/1134646704.db2.gz JJNDPCVRAHAMSA-UHFFFAOYSA-N 1 2 332.806 3.896 20 0 EHADLO O=C(Nc1cccc2cncc(F)c21)c1ccccc1-n1cc[nH+]c1 ZINC001190099637 1134655954 /nfs/dbraw/zinc/65/59/54/1134655954.db2.gz KGJHZPFDCKGMNT-UHFFFAOYSA-N 1 2 332.338 3.812 20 0 EHADLO O=C(NCCc1c(F)cccc1Cl)c1ccccc1-n1cc[nH+]c1 ZINC001190075384 1134658219 /nfs/dbraw/zinc/65/82/19/1134658219.db2.gz RGPKGZCRHUDKPE-UHFFFAOYSA-N 1 2 343.789 3.637 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000792163372 1134660478 /nfs/dbraw/zinc/66/04/78/1134660478.db2.gz XYBYGUYUKVRAHK-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000792163372 1134660480 /nfs/dbraw/zinc/66/04/80/1134660480.db2.gz XYBYGUYUKVRAHK-GFCCVEGCSA-N 1 2 330.881 3.843 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC000792163007 1134661855 /nfs/dbraw/zinc/66/18/55/1134661855.db2.gz UTZLSJWNCPTUIZ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC000792163007 1134661857 /nfs/dbraw/zinc/66/18/57/1134661857.db2.gz UTZLSJWNCPTUIZ-UHFFFAOYSA-N 1 2 330.881 3.844 20 0 EHADLO COc1ccc(-c2cccc(C(=O)Nc3cc[nH+]c4c3CCC4)c2)cc1 ZINC001190317110 1134679401 /nfs/dbraw/zinc/67/94/01/1134679401.db2.gz IMHSYLQZZFDQOT-UHFFFAOYSA-N 1 2 344.414 3.920 20 0 EHADLO CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000792562413 1134712712 /nfs/dbraw/zinc/71/27/12/1134712712.db2.gz OEHUEJNVYKHEBV-VQTJNVASSA-N 1 2 349.434 3.504 20 0 EHADLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C2CC2)cc1 ZINC001190497602 1134713624 /nfs/dbraw/zinc/71/36/24/1134713624.db2.gz QMHHUNLNDDJAFU-UHFFFAOYSA-N 1 2 339.420 3.551 20 0 EHADLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170257129 1134724773 /nfs/dbraw/zinc/72/47/73/1134724773.db2.gz UHVCMTCZPWSDJK-FZKQIMNGSA-N 1 2 349.833 3.784 20 0 EHADLO C[C@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001170286672 1134742205 /nfs/dbraw/zinc/74/22/05/1134742205.db2.gz DYSCZRQFAABLFO-MRXNPFEDSA-N 1 2 348.918 3.996 20 0 EHADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc([NH+](C)C)c(C)c1 ZINC001170405173 1134769963 /nfs/dbraw/zinc/76/99/63/1134769963.db2.gz VXTADCCISVCWSE-SFHVURJKSA-N 1 2 344.430 3.786 20 0 EHADLO COc1ccc(Cl)cc1NC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000792683495 1134770535 /nfs/dbraw/zinc/77/05/35/1134770535.db2.gz RBECNFGIDBJEGX-UHFFFAOYSA-N 1 2 336.848 3.619 20 0 EHADLO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(F)(F)C(F)(F)F ZINC001170413793 1134773208 /nfs/dbraw/zinc/77/32/08/1134773208.db2.gz XBOXNDLITUQGKO-SNVBAGLBSA-N 1 2 325.277 3.524 20 0 EHADLO CCCOc1ccccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001190993526 1134776388 /nfs/dbraw/zinc/77/63/88/1134776388.db2.gz GOQDYLCLHHINTI-UHFFFAOYSA-N 1 2 335.407 3.973 20 0 EHADLO CC[C@@H](C)CC[C@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793136700 1134859617 /nfs/dbraw/zinc/85/96/17/1134859617.db2.gz HVQKXVNMCYFHNI-HIFRSBDPSA-N 1 2 333.407 3.527 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H](F)CC1CCCCC1 ZINC000793184448 1134871059 /nfs/dbraw/zinc/87/10/59/1134871059.db2.gz DJKGMHITXYTDJD-LJQANCHMSA-N 1 2 348.462 3.766 20 0 EHADLO C[C@@H](CC(=O)OCCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000793236727 1134881347 /nfs/dbraw/zinc/88/13/47/1134881347.db2.gz DDWOXTSFVRAEEQ-LBPRGKRZSA-N 1 2 340.345 3.718 20 0 EHADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC(F)(F)C1 ZINC000793390666 1134922268 /nfs/dbraw/zinc/92/22/68/1134922268.db2.gz IYWMGEIQKXBMLJ-UHFFFAOYSA-N 1 2 332.350 3.837 20 0 EHADLO CCCCCCNC(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001191955077 1134945927 /nfs/dbraw/zinc/94/59/27/1134945927.db2.gz GNAVYSRJNIIMIB-UHFFFAOYSA-N 1 2 345.447 3.540 20 0 EHADLO CCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001191999837 1134950320 /nfs/dbraw/zinc/95/03/20/1134950320.db2.gz NGVYFHKHGGDUPK-UHFFFAOYSA-N 1 2 348.878 3.964 20 0 EHADLO Cc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(C)cc1Cl ZINC000793577827 1134961200 /nfs/dbraw/zinc/96/12/00/1134961200.db2.gz NUMXVWLBRJJWLS-UHFFFAOYSA-N 1 2 344.833 3.758 20 0 EHADLO Cc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(C)cc1Cl ZINC000793577827 1134961207 /nfs/dbraw/zinc/96/12/07/1134961207.db2.gz NUMXVWLBRJJWLS-UHFFFAOYSA-N 1 2 344.833 3.758 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)n2)cc1 ZINC001192056092 1134961959 /nfs/dbraw/zinc/96/19/59/1134961959.db2.gz LJSWSXDBTCMPEV-UHFFFAOYSA-N 1 2 328.375 3.957 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC001192197298 1134978297 /nfs/dbraw/zinc/97/82/97/1134978297.db2.gz DYMXNFOOMGMZGQ-KXBFYZLASA-N 1 2 349.471 3.676 20 0 EHADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001192197298 1134978302 /nfs/dbraw/zinc/97/83/02/1134978302.db2.gz DYMXNFOOMGMZGQ-KXBFYZLASA-N 1 2 349.471 3.676 20 0 EHADLO Brc1cccc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000793830790 1134998391 /nfs/dbraw/zinc/99/83/91/1134998391.db2.gz WHXURNXBPRRMNT-UHFFFAOYSA-N 1 2 330.185 3.609 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccnc1Oc1ccccc1 ZINC001192700516 1135046123 /nfs/dbraw/zinc/04/61/23/1135046123.db2.gz YHAHFWJLEJAFQU-UHFFFAOYSA-N 1 2 330.347 3.774 20 0 EHADLO CO[C@@H](CC(C)C)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001193546063 1135146360 /nfs/dbraw/zinc/14/63/60/1135146360.db2.gz NDYTVMOKKSQQJO-WMLDXEAASA-N 1 2 329.843 3.914 20 0 EHADLO CO[C@@H](CC(C)C)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001193546063 1135146363 /nfs/dbraw/zinc/14/63/63/1135146363.db2.gz NDYTVMOKKSQQJO-WMLDXEAASA-N 1 2 329.843 3.914 20 0 EHADLO O=C(NCC1CCN(c2cccc[nH+]2)CC1)Oc1ccc(Cl)cc1 ZINC001194076629 1135225725 /nfs/dbraw/zinc/22/57/25/1135225725.db2.gz VXJNRWOEFDOMGI-UHFFFAOYSA-N 1 2 345.830 3.740 20 0 EHADLO CSc1cc(F)ccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001130291014 1135298711 /nfs/dbraw/zinc/29/87/11/1135298711.db2.gz VJZYMCSFRAXXGE-UHFFFAOYSA-N 1 2 329.400 3.685 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607505 1135312946 /nfs/dbraw/zinc/31/29/46/1135312946.db2.gz JJTWEPXEPCHFOO-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000775607505 1135312951 /nfs/dbraw/zinc/31/29/51/1135312951.db2.gz JJTWEPXEPCHFOO-RTBURBONSA-N 1 2 349.833 3.894 20 0 EHADLO CC[C@@H](C)COC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001194836215 1135328916 /nfs/dbraw/zinc/32/89/16/1135328916.db2.gz YPPWDQAIYHVMEC-CYBMUJFWSA-N 1 2 335.835 3.857 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC001194886541 1135336235 /nfs/dbraw/zinc/33/62/35/1135336235.db2.gz HGNKKRIAUZFMGQ-UHFFFAOYSA-N 1 2 325.456 3.985 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194895326 1135336641 /nfs/dbraw/zinc/33/66/41/1135336641.db2.gz QJNGATIXGGCPGB-OAHLLOKOSA-N 1 2 349.434 3.929 20 0 EHADLO CC(C)C[C@@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1ccccn1 ZINC001194917325 1135340130 /nfs/dbraw/zinc/34/01/30/1135340130.db2.gz KVIOSABNFMVOGO-LJQANCHMSA-N 1 2 348.450 3.999 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccc(Cl)cc1 ZINC001194965288 1135346402 /nfs/dbraw/zinc/34/64/02/1135346402.db2.gz UQUVDFRCZIAUNS-LLVKDONJSA-N 1 2 329.787 3.946 20 0 EHADLO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1Cl ZINC000775622014 1135347752 /nfs/dbraw/zinc/34/77/52/1135347752.db2.gz ZFNCPXAJLGNDDV-AWEZNQCLSA-N 1 2 326.831 3.831 20 0 EHADLO CCOc1ccccc1OCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195045708 1135358722 /nfs/dbraw/zinc/35/87/22/1135358722.db2.gz MDEYCBBUQHNIFK-HNNXBMFYSA-N 1 2 349.471 3.659 20 0 EHADLO CCOc1ccccc1OCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001195045708 1135358726 /nfs/dbraw/zinc/35/87/26/1135358726.db2.gz MDEYCBBUQHNIFK-HNNXBMFYSA-N 1 2 349.471 3.659 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cn3c(cccc3C)n2)cc1Cl ZINC001195224672 1135397043 /nfs/dbraw/zinc/39/70/43/1135397043.db2.gz MUYCXENPJMYAMO-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cn3c(cccc3C)n2)cc1Cl ZINC001195224672 1135397046 /nfs/dbraw/zinc/39/70/46/1135397046.db2.gz MUYCXENPJMYAMO-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695040 1135456671 /nfs/dbraw/zinc/45/66/71/1135456671.db2.gz SZJHJXRJYIICKQ-ORAYPTAESA-N 1 2 345.389 3.841 20 0 EHADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695040 1135456673 /nfs/dbraw/zinc/45/66/73/1135456673.db2.gz SZJHJXRJYIICKQ-ORAYPTAESA-N 1 2 345.389 3.841 20 0 EHADLO Cc1cn(-c2ccccc2)nc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001196310790 1135541007 /nfs/dbraw/zinc/54/10/07/1135541007.db2.gz QXYXAJUQYKCSOH-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO OC[C@@H]([NH2+]Cc1cccc(Cl)n1)c1cccc(Cl)c1Cl ZINC001196285613 1135542936 /nfs/dbraw/zinc/54/29/36/1135542936.db2.gz OIWYOXYDNXJMLQ-GFCCVEGCSA-N 1 2 331.630 3.865 20 0 EHADLO Cc1cccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC001196412983 1135560413 /nfs/dbraw/zinc/56/04/13/1135560413.db2.gz MQAUDTCWKGATKF-QGZVFWFLSA-N 1 2 341.480 3.939 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC001131023926 1135561970 /nfs/dbraw/zinc/56/19/70/1135561970.db2.gz SHQGNQWEEWSSOD-HZPDHXFCSA-N 1 2 330.472 3.863 20 0 EHADLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564534 1135576684 /nfs/dbraw/zinc/57/66/84/1135576684.db2.gz XJJQROOLYSTESE-MFKMUULPSA-N 1 2 333.325 3.546 20 0 EHADLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)CCC1(F)F ZINC001196564534 1135576687 /nfs/dbraw/zinc/57/66/87/1135576687.db2.gz XJJQROOLYSTESE-MFKMUULPSA-N 1 2 333.325 3.546 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(CSC(C)C)n2)C1 ZINC000867184196 1135583743 /nfs/dbraw/zinc/58/37/43/1135583743.db2.gz TYGXOISMPYEXIJ-MRXNPFEDSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CSC(C)C)n2)C1 ZINC000867184196 1135583747 /nfs/dbraw/zinc/58/37/47/1135583747.db2.gz TYGXOISMPYEXIJ-MRXNPFEDSA-N 1 2 347.484 3.593 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CCN(c2ccccc2)C1=O ZINC000808137246 1135622583 /nfs/dbraw/zinc/62/25/83/1135622583.db2.gz XMKGFTJEJOUGDC-CQSZACIVSA-N 1 2 327.453 3.567 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CCN(c2ccccc2)C1=O ZINC000808137246 1135622584 /nfs/dbraw/zinc/62/25/84/1135622584.db2.gz XMKGFTJEJOUGDC-CQSZACIVSA-N 1 2 327.453 3.567 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000808179338 1135626330 /nfs/dbraw/zinc/62/63/30/1135626330.db2.gz SASZVBRVCVXUBJ-IBGZPJMESA-N 1 2 336.426 3.750 20 0 EHADLO CC1(C)C(=O)N(C[N@@H+]2CCC=C(c3ccccc3)C2)[C@@H]1c1ccncc1 ZINC000808185390 1135627327 /nfs/dbraw/zinc/62/73/27/1135627327.db2.gz FSOVVXDBGGHZCB-HXUWFJFHSA-N 1 2 347.462 3.738 20 0 EHADLO CC1(C)C(=O)N(C[N@H+]2CCC=C(c3ccccc3)C2)[C@@H]1c1ccncc1 ZINC000808185390 1135627330 /nfs/dbraw/zinc/62/73/30/1135627330.db2.gz FSOVVXDBGGHZCB-HXUWFJFHSA-N 1 2 347.462 3.738 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(=S)s1 ZINC000747465752 1135630713 /nfs/dbraw/zinc/63/07/13/1135630713.db2.gz AQXRZJOWSLXZID-ZFWWWQNUSA-N 1 2 349.525 3.983 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(=S)s1 ZINC000747465752 1135630717 /nfs/dbraw/zinc/63/07/17/1135630717.db2.gz AQXRZJOWSLXZID-ZFWWWQNUSA-N 1 2 349.525 3.983 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000747467269 1135631130 /nfs/dbraw/zinc/63/11/30/1135631130.db2.gz IUCQJJFDZQDLIY-HKUYNNGSSA-N 1 2 347.462 3.616 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(=O)c2ccccc12 ZINC000747467269 1135631132 /nfs/dbraw/zinc/63/11/32/1135631132.db2.gz IUCQJJFDZQDLIY-HKUYNNGSSA-N 1 2 347.462 3.616 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cncc(OC)c2)CC1 ZINC001196959943 1135634177 /nfs/dbraw/zinc/63/41/77/1135634177.db2.gz AWLDLIFCCPUIHM-LJQANCHMSA-N 1 2 347.409 3.642 20 0 EHADLO Cn1cnc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000808402833 1135664181 /nfs/dbraw/zinc/66/41/81/1135664181.db2.gz JRMWBQYDEAPPLZ-UHFFFAOYSA-N 1 2 335.329 3.989 20 0 EHADLO FC(F)(F)c1cc(NC(=S)NCCn2cc[nH+]c2)ccc1Cl ZINC001197433155 1135691319 /nfs/dbraw/zinc/69/13/19/1135691319.db2.gz OUEVWUABWOCOND-UHFFFAOYSA-N 1 2 348.781 3.542 20 0 EHADLO Cc1c[nH+]ccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC001197492065 1135696010 /nfs/dbraw/zinc/69/60/10/1135696010.db2.gz UJIIDBOXWXQYJG-UHFFFAOYSA-N 1 2 327.331 3.519 20 0 EHADLO Clc1cc(C[NH+]2CCN(c3nccc4sccc43)CC2)ccn1 ZINC000808780524 1135736093 /nfs/dbraw/zinc/73/60/93/1135736093.db2.gz QIKQGTIXUIALMN-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000808789615 1135737715 /nfs/dbraw/zinc/73/77/15/1135737715.db2.gz UAXSQJYVLDOTKO-UIAACRFSSA-N 1 2 349.434 3.616 20 0 EHADLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808834127 1135741193 /nfs/dbraw/zinc/74/11/93/1135741193.db2.gz PFGPNMCXOVPCQR-BJHJDKERSA-N 1 2 340.349 3.919 20 0 EHADLO Cc1cnc2c(NC(=O)CCCn3cc[nH+]c3)cccc2c1Cl ZINC001131588281 1135788503 /nfs/dbraw/zinc/78/85/03/1135788503.db2.gz BAZKXHOJFMWDBX-UHFFFAOYSA-N 1 2 328.803 3.812 20 0 EHADLO Cc1cccc(C)c1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001198351257 1135809736 /nfs/dbraw/zinc/80/97/36/1135809736.db2.gz XLTIMODXWXYOFZ-QGZVFWFLSA-N 1 2 341.480 3.939 20 0 EHADLO CCCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(C)C ZINC001131688183 1135831283 /nfs/dbraw/zinc/83/12/83/1135831283.db2.gz ZMYGVHOSQUSRFT-QGZVFWFLSA-N 1 2 349.544 3.713 20 0 EHADLO Cc1cccn2cc(Cc3noc(C[C@@H]4CCC(F)(F)C4)n3)[nH+]c12 ZINC000809367090 1135832264 /nfs/dbraw/zinc/83/22/64/1135832264.db2.gz FXXSRFOAVQZUFZ-LBPRGKRZSA-N 1 2 332.354 3.594 20 0 EHADLO Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001198614468 1135838747 /nfs/dbraw/zinc/83/87/47/1135838747.db2.gz YPKZHNMXHHMUTG-UHFFFAOYSA-N 1 2 333.347 3.885 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(C)sc2C)n1C ZINC001198721175 1135847762 /nfs/dbraw/zinc/84/77/62/1135847762.db2.gz VOYAEWKUHFFWIW-INIZCTEOSA-N 1 2 347.484 3.612 20 0 EHADLO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2nc(C)sc2C)n1C ZINC001198721175 1135847765 /nfs/dbraw/zinc/84/77/65/1135847765.db2.gz VOYAEWKUHFFWIW-INIZCTEOSA-N 1 2 347.484 3.612 20 0 EHADLO COc1cc(C)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000775895499 1135861170 /nfs/dbraw/zinc/86/11/70/1135861170.db2.gz PFUUAXDFUVGUAM-INIZCTEOSA-N 1 2 348.422 3.576 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccnc(C(F)(F)F)c1 ZINC000809644158 1135864690 /nfs/dbraw/zinc/86/46/90/1135864690.db2.gz DPLNVJDEAZKKSG-UHFFFAOYSA-N 1 2 332.285 3.743 20 0 EHADLO CCCCn1nc(C)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1Cl ZINC000809690837 1135867466 /nfs/dbraw/zinc/86/74/66/1135867466.db2.gz ZNUQAUXPOLNMPP-UHFFFAOYSA-N 1 2 347.894 3.668 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1Cl ZINC000809690837 1135867468 /nfs/dbraw/zinc/86/74/68/1135867468.db2.gz ZNUQAUXPOLNMPP-UHFFFAOYSA-N 1 2 347.894 3.668 20 0 EHADLO Cc1ccc(-c2ncc(C[NH2+][C@@H](C)c3nnc4ccccn43)s2)o1 ZINC001199101087 1135881335 /nfs/dbraw/zinc/88/13/35/1135881335.db2.gz NBDUWWLTMNVJKL-LBPRGKRZSA-N 1 2 339.424 3.605 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738155 1135882966 /nfs/dbraw/zinc/88/29/66/1135882966.db2.gz ROESVVLHBAXWNM-UHFFFAOYSA-N 1 2 325.243 3.502 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000809779599 1135889739 /nfs/dbraw/zinc/88/97/39/1135889739.db2.gz SWBGKADIFKHDRJ-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000809779599 1135889741 /nfs/dbraw/zinc/88/97/41/1135889741.db2.gz SWBGKADIFKHDRJ-CYBMUJFWSA-N 1 2 348.340 3.555 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)C3(F)CCCCC3)n2)CC1 ZINC000810008704 1135912792 /nfs/dbraw/zinc/91/27/92/1135912792.db2.gz MEBMZEAOJBBRBJ-UHFFFAOYSA-N 1 2 339.480 3.986 20 0 EHADLO CCCc1ncc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC001132072288 1135921575 /nfs/dbraw/zinc/92/15/75/1135921575.db2.gz VETCQUSIHSRWLN-OAHLLOKOSA-N 1 2 343.496 3.615 20 0 EHADLO COc1ccccc1CN(Cc1c[nH+]cn1Cc1ccccc1)OC ZINC000810105520 1135922228 /nfs/dbraw/zinc/92/22/28/1135922228.db2.gz HGTNHBIZKMGRGO-UHFFFAOYSA-N 1 2 337.423 3.504 20 0 EHADLO CC[C@H](C)n1nc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776029028 1135934453 /nfs/dbraw/zinc/93/44/53/1135934453.db2.gz CATVTWXFMRFWTB-ZFWWWQNUSA-N 1 2 346.479 3.595 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000810231834 1135942140 /nfs/dbraw/zinc/94/21/40/1135942140.db2.gz OZRJGEYPQZZIPX-HNNXBMFYSA-N 1 2 326.787 3.967 20 0 EHADLO O=C(OCc1ccc2ncccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776089603 1135953110 /nfs/dbraw/zinc/95/31/10/1135953110.db2.gz WFOSJIGDURJXJZ-UHFFFAOYSA-N 1 2 329.359 3.778 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(F)CCCCC3)CC2)c1 ZINC000810348127 1135958371 /nfs/dbraw/zinc/95/83/71/1135958371.db2.gz IPZPSPMJJRUREW-MRXNPFEDSA-N 1 2 348.462 3.573 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OC[C@@H]1CCc2ccccc21 ZINC000810577378 1135977424 /nfs/dbraw/zinc/97/74/24/1135977424.db2.gz QCEWWINJIBMKRF-IBGZPJMESA-N 1 2 346.430 3.747 20 0 EHADLO CC[C@@H]1CCC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810587205 1135978947 /nfs/dbraw/zinc/97/89/47/1135978947.db2.gz LOJOHCQASPPSKH-VQIMIIECSA-N 1 2 326.440 3.986 20 0 EHADLO CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(N)[nH+]c3)ccc21 ZINC001201286999 1136001130 /nfs/dbraw/zinc/00/11/30/1136001130.db2.gz NACBHSGXCHXGGJ-UHFFFAOYSA-N 1 2 326.400 3.705 20 0 EHADLO Nc1ccc(Nc2ccc(Br)cc2N2CCCC2)c[nH+]1 ZINC001201292013 1136001453 /nfs/dbraw/zinc/00/14/53/1136001453.db2.gz UEHNCHOHHIUWAJ-UHFFFAOYSA-N 1 2 333.233 3.770 20 0 EHADLO Cc1c(Nc2ccccc2C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC001201375425 1136013616 /nfs/dbraw/zinc/01/36/16/1136013616.db2.gz UBMALCNINSMKDJ-UHFFFAOYSA-N 1 2 348.450 3.757 20 0 EHADLO Cc1cccc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@@H]3C)n1 ZINC001201434562 1136023957 /nfs/dbraw/zinc/02/39/57/1136023957.db2.gz KAYDROTZVBOFRA-MRXNPFEDSA-N 1 2 342.487 3.726 20 0 EHADLO Cc1cccc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@@H]3C)n1 ZINC001201434562 1136023961 /nfs/dbraw/zinc/02/39/61/1136023961.db2.gz KAYDROTZVBOFRA-MRXNPFEDSA-N 1 2 342.487 3.726 20 0 EHADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cccc(OC(F)(F)F)c2)[nH]1 ZINC001201851618 1136066690 /nfs/dbraw/zinc/06/66/90/1136066690.db2.gz YNODVILZYHKGAX-SNVBAGLBSA-N 1 2 328.338 3.678 20 0 EHADLO CC1CCC(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000811326238 1136074568 /nfs/dbraw/zinc/07/45/68/1136074568.db2.gz NCMJAMARJJFHCU-UHFFFAOYSA-N 1 2 326.440 3.843 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000811456799 1136089871 /nfs/dbraw/zinc/08/98/71/1136089871.db2.gz FWTCQISAUOAYBB-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000811456799 1136089875 /nfs/dbraw/zinc/08/98/75/1136089875.db2.gz FWTCQISAUOAYBB-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO Fc1ccc(CC[NH2+]c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000811468391 1136090939 /nfs/dbraw/zinc/09/09/39/1136090939.db2.gz OPIKLDWOTUQBCB-UHFFFAOYSA-N 1 2 334.822 3.970 20 0 EHADLO C[NH+](C)[C@@H](CNCc1ccnc(Cl)c1Cl)c1cccc(F)c1 ZINC000811471581 1136095326 /nfs/dbraw/zinc/09/53/26/1136095326.db2.gz GKLCWKGPXPHYRW-AWEZNQCLSA-N 1 2 342.245 3.920 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3ccccc3C(F)(F)F)n2c1 ZINC001202169322 1136105205 /nfs/dbraw/zinc/10/52/05/1136105205.db2.gz VPVHTHSCGJHMFZ-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO Cc1cccc(C)c1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001202205437 1136110479 /nfs/dbraw/zinc/11/04/79/1136110479.db2.gz BZBQUEZLSSSIQT-KRWDZBQOSA-N 1 2 325.412 3.774 20 0 EHADLO O=C(NCc1ccc2[nH+]ccn2c1)Nc1ccc(Cl)c(Cl)c1 ZINC001202270474 1136116889 /nfs/dbraw/zinc/11/68/89/1136116889.db2.gz YLFKMGKMGOOHTG-UHFFFAOYSA-N 1 2 335.194 3.963 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751901 1136136052 /nfs/dbraw/zinc/13/60/52/1136136052.db2.gz IRISOZZOSGDYAI-QAPCUYQASA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811751901 1136136053 /nfs/dbraw/zinc/13/60/53/1136136053.db2.gz IRISOZZOSGDYAI-QAPCUYQASA-N 1 2 325.456 3.605 20 0 EHADLO CC[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001133033082 1136146416 /nfs/dbraw/zinc/14/64/16/1136146416.db2.gz PUHZMQQJBDPIJF-VQTJNVASSA-N 1 2 333.435 3.934 20 0 EHADLO CC(C)(C)N(Cc1ccc(F)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776402121 1136177507 /nfs/dbraw/zinc/17/75/07/1136177507.db2.gz ODHCUVUGRFEDJZ-UHFFFAOYSA-N 1 2 325.387 3.914 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3cc(F)ccc3s2)c1C ZINC000747770688 1136181031 /nfs/dbraw/zinc/18/10/31/1136181031.db2.gz BDCQQSYCIYWOCA-UHFFFAOYSA-N 1 2 344.411 3.991 20 0 EHADLO CC[N@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@@H]1CCOC1 ZINC000812295617 1136195819 /nfs/dbraw/zinc/19/58/19/1136195819.db2.gz INADMTKTYBYLLX-LLVKDONJSA-N 1 2 327.400 3.636 20 0 EHADLO CC[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)[C@@H]1CCOC1 ZINC000812295617 1136195821 /nfs/dbraw/zinc/19/58/21/1136195821.db2.gz INADMTKTYBYLLX-LLVKDONJSA-N 1 2 327.400 3.636 20 0 EHADLO CC[N@H+](Cn1ccn(-c2cc(C)cc(C)c2)c1=S)[C@H]1CCOC1 ZINC000812294933 1136196106 /nfs/dbraw/zinc/19/61/06/1136196106.db2.gz ATKVVXOXOIZZSY-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2cc(C)cc(C)c2)c1=S)[C@H]1CCOC1 ZINC000812294933 1136196109 /nfs/dbraw/zinc/19/61/09/1136196109.db2.gz ATKVVXOXOIZZSY-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cn1c[nH+]cc1COC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000747783953 1136196508 /nfs/dbraw/zinc/19/65/08/1136196508.db2.gz RDVFWZITFWLEJM-UHFFFAOYSA-N 1 2 333.800 3.554 20 0 EHADLO C[C@@H]1CC(=O)N(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000812302451 1136196660 /nfs/dbraw/zinc/19/66/60/1136196660.db2.gz XJBPUNBFADNSMC-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO Clc1cc(Cl)cc(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000850343548 1136237752 /nfs/dbraw/zinc/23/77/52/1136237752.db2.gz OTQYRQOCQNBMGA-UHFFFAOYSA-N 1 2 345.251 3.785 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccc(Cl)o2)C1 ZINC000812761657 1136239029 /nfs/dbraw/zinc/23/90/29/1136239029.db2.gz DMPKMCXUAICUGG-QGZVFWFLSA-N 1 2 340.851 3.908 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccc(Cl)o2)C1 ZINC000812761657 1136239032 /nfs/dbraw/zinc/23/90/32/1136239032.db2.gz DMPKMCXUAICUGG-QGZVFWFLSA-N 1 2 340.851 3.908 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc(OC)c1 ZINC000850362574 1136241244 /nfs/dbraw/zinc/24/12/44/1136241244.db2.gz PHPVVLCOSLULCA-CQSZACIVSA-N 1 2 341.238 3.874 20 0 EHADLO CC(C)[C@H](O)[C@@H]([NH2+]Cc1occc1Br)c1ccccc1 ZINC000850395029 1136248315 /nfs/dbraw/zinc/24/83/15/1136248315.db2.gz MAZPTZOIJLIGBE-HOTGVXAUSA-N 1 2 338.245 3.890 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852091 1136262109 /nfs/dbraw/zinc/26/21/09/1136262109.db2.gz VVWWZVWVIVDDJN-DYVFJYSZSA-N 1 2 343.452 3.742 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852091 1136262114 /nfs/dbraw/zinc/26/21/14/1136262114.db2.gz VVWWZVWVIVDDJN-DYVFJYSZSA-N 1 2 343.452 3.742 20 0 EHADLO CCc1cccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000007466303 1136282137 /nfs/dbraw/zinc/28/21/37/1136282137.db2.gz ZFUMGKADTGLLCF-UHFFFAOYSA-N 1 2 345.537 3.825 20 0 EHADLO COC[C@@H](C)[C@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000813098193 1136287915 /nfs/dbraw/zinc/28/79/15/1136287915.db2.gz NKMHCMKDOWQVJX-CABCVRRESA-N 1 2 342.439 3.710 20 0 EHADLO CSCC(C)(C)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000851170775 1136345901 /nfs/dbraw/zinc/34/59/01/1136345901.db2.gz APUDTEUJKBKMNU-UHFFFAOYSA-N 1 2 342.411 3.555 20 0 EHADLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000338940407 1136398034 /nfs/dbraw/zinc/39/80/34/1136398034.db2.gz ZTSDVUXEVGTAJP-UHFFFAOYSA-N 1 2 349.814 3.763 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nsc2ccccc12 ZINC000851842116 1136413250 /nfs/dbraw/zinc/41/32/50/1136413250.db2.gz PBERUQFJTFPIHJ-GFCCVEGCSA-N 1 2 335.473 3.641 20 0 EHADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nsc2ccccc12 ZINC000851842116 1136413253 /nfs/dbraw/zinc/41/32/53/1136413253.db2.gz PBERUQFJTFPIHJ-GFCCVEGCSA-N 1 2 335.473 3.641 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731497 1136413558 /nfs/dbraw/zinc/41/35/58/1136413558.db2.gz QYYIQLXFOQRDHE-YYIAUSFCSA-N 1 2 335.875 3.838 20 0 EHADLO CCCn1c(C)nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1=S ZINC000814225158 1136424714 /nfs/dbraw/zinc/42/47/14/1136424714.db2.gz QHTYRVPQHGMZKM-QGZVFWFLSA-N 1 2 330.501 3.970 20 0 EHADLO CCCn1c(C)nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1=S ZINC000814225158 1136424717 /nfs/dbraw/zinc/42/47/17/1136424717.db2.gz QHTYRVPQHGMZKM-QGZVFWFLSA-N 1 2 330.501 3.970 20 0 EHADLO CC(C)COC(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000776591666 1136452911 /nfs/dbraw/zinc/45/29/11/1136452911.db2.gz SOMUUCYRBDCCCY-UHFFFAOYSA-N 1 2 338.451 3.912 20 0 EHADLO CC(C)COC(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000776591666 1136452914 /nfs/dbraw/zinc/45/29/14/1136452914.db2.gz SOMUUCYRBDCCCY-UHFFFAOYSA-N 1 2 338.451 3.912 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1F ZINC000852449572 1136457218 /nfs/dbraw/zinc/45/72/18/1136457218.db2.gz VUZGURZEVZUJRB-HXUWFJFHSA-N 1 2 338.430 3.952 20 0 EHADLO Cc1c(O)ccc2c(C[N@@H+]3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc12 ZINC000852466407 1136458133 /nfs/dbraw/zinc/45/81/33/1136458133.db2.gz CQLDDAGWBZWERS-QGZVFWFLSA-N 1 2 339.366 3.893 20 0 EHADLO Cc1c(O)ccc2c(C[N@H+]3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc12 ZINC000852466407 1136458136 /nfs/dbraw/zinc/45/81/36/1136458136.db2.gz CQLDDAGWBZWERS-QGZVFWFLSA-N 1 2 339.366 3.893 20 0 EHADLO O[C@H](C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1)c1cc2ccccc2o1 ZINC000852547961 1136465535 /nfs/dbraw/zinc/46/55/35/1136465535.db2.gz JSWINEPYHDIFRV-QZTJIDSGSA-N 1 2 341.382 3.679 20 0 EHADLO O[C@H](C[N@H+]1CCOC[C@@H]1c1cccc(F)c1)c1cc2ccccc2o1 ZINC000852547961 1136465536 /nfs/dbraw/zinc/46/55/36/1136465536.db2.gz JSWINEPYHDIFRV-QZTJIDSGSA-N 1 2 341.382 3.679 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000852573629 1136467513 /nfs/dbraw/zinc/46/75/13/1136467513.db2.gz PYOJCHSWRGTFSH-ZMYBRWDISA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000852573629 1136467516 /nfs/dbraw/zinc/46/75/16/1136467516.db2.gz PYOJCHSWRGTFSH-ZMYBRWDISA-N 1 2 331.843 3.835 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852635276 1136472519 /nfs/dbraw/zinc/47/25/19/1136472519.db2.gz FBWOUZRCERCVKD-ZDUSSCGKSA-N 1 2 341.373 3.965 20 0 EHADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852635276 1136472521 /nfs/dbraw/zinc/47/25/21/1136472521.db2.gz FBWOUZRCERCVKD-ZDUSSCGKSA-N 1 2 341.373 3.965 20 0 EHADLO O=C1OCCN1C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000852722204 1136479856 /nfs/dbraw/zinc/47/98/56/1136479856.db2.gz DAIWCSYPPYADPH-UHFFFAOYSA-N 1 2 349.500 3.607 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C(F)F)C1 ZINC000814650420 1136485118 /nfs/dbraw/zinc/48/51/18/1136485118.db2.gz RKFHJXPMUCANFB-ZFWWWQNUSA-N 1 2 340.414 3.839 20 0 EHADLO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000814640464 1136487660 /nfs/dbraw/zinc/48/76/60/1136487660.db2.gz IAJLIFIUYJVNQT-INIZCTEOSA-N 1 2 343.858 3.725 20 0 EHADLO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000814640464 1136487662 /nfs/dbraw/zinc/48/76/62/1136487662.db2.gz IAJLIFIUYJVNQT-INIZCTEOSA-N 1 2 343.858 3.725 20 0 EHADLO Clc1nc2ccccc2cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000110871542 1136487733 /nfs/dbraw/zinc/48/77/33/1136487733.db2.gz SUCTYJPDXLGWOZ-MRXNPFEDSA-N 1 2 332.831 3.616 20 0 EHADLO Clc1nc2ccccc2cc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000110871542 1136487735 /nfs/dbraw/zinc/48/77/35/1136487735.db2.gz SUCTYJPDXLGWOZ-MRXNPFEDSA-N 1 2 332.831 3.616 20 0 EHADLO Cc1nn(C/C=C/c2ccc(Cl)cc2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852963041 1136494471 /nfs/dbraw/zinc/49/44/71/1136494471.db2.gz NQOZGFVACGMXPU-WRFKIARRSA-N 1 2 345.874 3.870 20 0 EHADLO Cc1nn(C/C=C/c2ccc(Cl)cc2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852963041 1136494473 /nfs/dbraw/zinc/49/44/73/1136494473.db2.gz NQOZGFVACGMXPU-WRFKIARRSA-N 1 2 345.874 3.870 20 0 EHADLO Fc1ccc(F)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c1Cl ZINC001138005415 1136495730 /nfs/dbraw/zinc/49/57/30/1136495730.db2.gz BWUXBURNEYURCF-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccc(F)c(C[N@H+]2CCCN(c3cccnc3)CC2)c1Cl ZINC001138005415 1136495731 /nfs/dbraw/zinc/49/57/31/1136495731.db2.gz BWUXBURNEYURCF-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1ncc(Cl)c1C1CC1 ZINC000853495239 1136537504 /nfs/dbraw/zinc/53/75/04/1136537504.db2.gz PTPKHSRTYXPREY-QGZVFWFLSA-N 1 2 331.847 3.617 20 0 EHADLO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1ncc(Cl)c1C1CC1 ZINC000853495239 1136537506 /nfs/dbraw/zinc/53/75/06/1136537506.db2.gz PTPKHSRTYXPREY-QGZVFWFLSA-N 1 2 331.847 3.617 20 0 EHADLO CC(C)[C@@H]1CCc2nc(NC(=O)C[C@@H](C)n3cc[nH+]c3)sc2C1 ZINC001134833440 1136538863 /nfs/dbraw/zinc/53/88/63/1136538863.db2.gz NNDZFBGAASYDEV-CHWSQXEVSA-N 1 2 332.473 3.690 20 0 EHADLO O[C@H](C[N@H+](Cc1cc[nH]n1)Cc1ccccc1)c1cc2ccccc2o1 ZINC000815044669 1136539450 /nfs/dbraw/zinc/53/94/50/1136539450.db2.gz HMSIFXLIJORUQY-LJQANCHMSA-N 1 2 347.418 3.892 20 0 EHADLO O[C@H](C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)c1cc2ccccc2o1 ZINC000815044669 1136539453 /nfs/dbraw/zinc/53/94/53/1136539453.db2.gz HMSIFXLIJORUQY-LJQANCHMSA-N 1 2 347.418 3.892 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)o1 ZINC000815051003 1136539952 /nfs/dbraw/zinc/53/99/52/1136539952.db2.gz LMYQJRUUCRECBK-DLBZAZTESA-N 1 2 341.407 3.695 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)o1 ZINC000815051003 1136539954 /nfs/dbraw/zinc/53/99/54/1136539954.db2.gz LMYQJRUUCRECBK-DLBZAZTESA-N 1 2 341.407 3.695 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)[C@H]3CCCCC[C@@H]32)cc1F ZINC000853563097 1136544581 /nfs/dbraw/zinc/54/45/81/1136544581.db2.gz KPYMAVBBMUBOER-SZMVWBNQSA-N 1 2 346.446 3.720 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)[C@H]3CCCCC[C@@H]32)cc1F ZINC000853563097 1136544585 /nfs/dbraw/zinc/54/45/85/1136544585.db2.gz KPYMAVBBMUBOER-SZMVWBNQSA-N 1 2 346.446 3.720 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000853590054 1136546768 /nfs/dbraw/zinc/54/67/68/1136546768.db2.gz QKHOXVNNZATQHW-HNNXBMFYSA-N 1 2 330.457 3.737 20 0 EHADLO S=c1oc(-c2ccncc2)nn1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000853590054 1136546770 /nfs/dbraw/zinc/54/67/70/1136546770.db2.gz QKHOXVNNZATQHW-HNNXBMFYSA-N 1 2 330.457 3.737 20 0 EHADLO CCCCCC[C@@H](CC)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000747992783 1136547979 /nfs/dbraw/zinc/54/79/79/1136547979.db2.gz WXLGUIFISVJDKP-RTBURBONSA-N 1 2 338.536 3.696 20 0 EHADLO COc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CC3(C)C)c(=S)n2C)cc1 ZINC000853626602 1136550344 /nfs/dbraw/zinc/55/03/44/1136550344.db2.gz BKTQXQHVVREMQL-AWEZNQCLSA-N 1 2 346.500 3.562 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CC3(C)C)c(=S)n2C)cc1 ZINC000853626602 1136550346 /nfs/dbraw/zinc/55/03/46/1136550346.db2.gz BKTQXQHVVREMQL-AWEZNQCLSA-N 1 2 346.500 3.562 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+]2CCOc3ccccc3[C@H]2C)[C@H]1c1ccccc1 ZINC000853632879 1136550996 /nfs/dbraw/zinc/55/09/96/1136550996.db2.gz YMIISIGVINKZQE-RZQQEMMASA-N 1 2 336.435 3.619 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+]2CCOc3ccccc3[C@H]2C)[C@H]1c1ccccc1 ZINC000853632879 1136550998 /nfs/dbraw/zinc/55/09/98/1136550998.db2.gz YMIISIGVINKZQE-RZQQEMMASA-N 1 2 336.435 3.619 20 0 EHADLO Cn1c[nH+]c(CCNc2nc(Cl)c(C(F)(F)F)cc2Cl)c1 ZINC000853681741 1136555209 /nfs/dbraw/zinc/55/52/09/1136555209.db2.gz YZMQDVWASKMASI-UHFFFAOYSA-N 1 2 339.148 3.795 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C)oc1ccccc12 ZINC000815164360 1136559649 /nfs/dbraw/zinc/55/96/49/1136559649.db2.gz WJNWSLKCEDSMCD-CHWSQXEVSA-N 1 2 338.407 3.873 20 0 EHADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C)oc1ccccc12 ZINC000815164360 1136559653 /nfs/dbraw/zinc/55/96/53/1136559653.db2.gz WJNWSLKCEDSMCD-CHWSQXEVSA-N 1 2 338.407 3.873 20 0 EHADLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000815190400 1136564323 /nfs/dbraw/zinc/56/43/23/1136564323.db2.gz VQHMTFQCJBIRFQ-UHFFFAOYSA-N 1 2 331.243 3.656 20 0 EHADLO CC1(C)C[N@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1cccnc1 ZINC000854042010 1136582898 /nfs/dbraw/zinc/58/28/98/1136582898.db2.gz UQOZNOLDFOLVDY-ZWKOTPCHSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@@H]1c1cccnc1 ZINC000854042010 1136582900 /nfs/dbraw/zinc/58/29/00/1136582900.db2.gz UQOZNOLDFOLVDY-ZWKOTPCHSA-N 1 2 343.471 3.618 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000815568341 1136611830 /nfs/dbraw/zinc/61/18/30/1136611830.db2.gz DKHVMQHWDJDZJX-DJIMGWMZSA-N 1 2 327.476 3.731 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000776766803 1136658575 /nfs/dbraw/zinc/65/85/75/1136658575.db2.gz VJCOFAYPXJCSKX-AWEZNQCLSA-N 1 2 347.484 3.606 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC000855012628 1136660603 /nfs/dbraw/zinc/66/06/03/1136660603.db2.gz VMPCRKQPVZFVDO-IAGOWNOFSA-N 1 2 325.456 3.830 20 0 EHADLO CC(C)CN(Cc1ccccc1F)C(=O)c1cccc2[nH+]ccn21 ZINC000776804783 1136686343 /nfs/dbraw/zinc/68/63/43/1136686343.db2.gz GOGIZPNWEVJRRO-UHFFFAOYSA-N 1 2 325.387 3.772 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)nc1C1CC1 ZINC000113246302 1136688639 /nfs/dbraw/zinc/68/86/39/1136688639.db2.gz VMJLJEJEFLOJLN-IBGZPJMESA-N 1 2 342.512 3.840 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)nc1C1CC1 ZINC000113246302 1136688641 /nfs/dbraw/zinc/68/86/41/1136688641.db2.gz VMJLJEJEFLOJLN-IBGZPJMESA-N 1 2 342.512 3.840 20 0 EHADLO C[C@@H]1CC[C@@H](C)[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000816223058 1136689152 /nfs/dbraw/zinc/68/91/52/1136689152.db2.gz OCQBZUOUHOPDRY-GPMSIDNRSA-N 1 2 326.440 3.842 20 0 EHADLO COc1ccc(/C=C(\C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1F ZINC000816481520 1136723710 /nfs/dbraw/zinc/72/37/10/1136723710.db2.gz ZGISEYSXNVXVPC-FMIVXFBMSA-N 1 2 325.343 3.524 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000816609414 1136741086 /nfs/dbraw/zinc/74/10/86/1136741086.db2.gz BBTGTGVOUCHARN-CQSZACIVSA-N 1 2 340.851 3.536 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609414 1136741090 /nfs/dbraw/zinc/74/10/90/1136741090.db2.gz BBTGTGVOUCHARN-CQSZACIVSA-N 1 2 340.851 3.536 20 0 EHADLO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1COc2ccccc2O1 ZINC000338985130 1136749086 /nfs/dbraw/zinc/74/90/86/1136749086.db2.gz LBHPDEAFLMWPJW-IBGZPJMESA-N 1 2 349.434 3.534 20 0 EHADLO CC[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1COc2ccccc2O1 ZINC000338985130 1136749089 /nfs/dbraw/zinc/74/90/89/1136749089.db2.gz LBHPDEAFLMWPJW-IBGZPJMESA-N 1 2 349.434 3.534 20 0 EHADLO CCc1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157564 1136782753 /nfs/dbraw/zinc/78/27/53/1136782753.db2.gz JPHPCJOENCGGRA-CABCVRRESA-N 1 2 348.384 3.649 20 0 EHADLO CCc1ccc([C@@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](CC)CC)cc1 ZINC000817157564 1136782756 /nfs/dbraw/zinc/78/27/56/1136782756.db2.gz JPHPCJOENCGGRA-CABCVRRESA-N 1 2 348.384 3.649 20 0 EHADLO Cc1cc(CNC(=O)Nc2ccc(N(C)C)c(Cl)c2)cc(C)[nH+]1 ZINC000817305159 1136795233 /nfs/dbraw/zinc/79/52/33/1136795233.db2.gz BXGAFYMQFVNYME-UHFFFAOYSA-N 1 2 332.835 3.740 20 0 EHADLO CC(C)c1nn(C[N@H+](C)[C@H]2CCc3ccccc3C2)c(=S)n1C ZINC000114444848 1136798078 /nfs/dbraw/zinc/79/80/78/1136798078.db2.gz XRLRLPMYUMRKPH-INIZCTEOSA-N 1 2 330.501 3.521 20 0 EHADLO CC(C)c1nn(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c(=S)n1C ZINC000114444848 1136798081 /nfs/dbraw/zinc/79/80/81/1136798081.db2.gz XRLRLPMYUMRKPH-INIZCTEOSA-N 1 2 330.501 3.521 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)Cc1ccccc1 ZINC000338998258 1136801233 /nfs/dbraw/zinc/80/12/33/1136801233.db2.gz GCJBNUFZPZETHS-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)Cc1ccccc1 ZINC000338998258 1136801237 /nfs/dbraw/zinc/80/12/37/1136801237.db2.gz GCJBNUFZPZETHS-UHFFFAOYSA-N 1 2 340.467 3.566 20 0 EHADLO CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001135899420 1136801527 /nfs/dbraw/zinc/80/15/27/1136801527.db2.gz GOIJZZIFJNFJAZ-HXUWFJFHSA-N 1 2 338.451 3.861 20 0 EHADLO CCCc1ccccc1NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001135899420 1136801531 /nfs/dbraw/zinc/80/15/31/1136801531.db2.gz GOIJZZIFJNFJAZ-HXUWFJFHSA-N 1 2 338.451 3.861 20 0 EHADLO Cc1cnc(CSCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000817385844 1136802702 /nfs/dbraw/zinc/80/27/02/1136802702.db2.gz LEBBXEPBLFLOQD-UHFFFAOYSA-N 1 2 334.510 3.717 20 0 EHADLO CC1=C(c2ccco2)C[N@H+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856741337 1136805669 /nfs/dbraw/zinc/80/56/69/1136805669.db2.gz KYXAIRJXHBWAFZ-UHFFFAOYSA-N 1 2 337.485 3.506 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856741337 1136805673 /nfs/dbraw/zinc/80/56/73/1136805673.db2.gz KYXAIRJXHBWAFZ-UHFFFAOYSA-N 1 2 337.485 3.506 20 0 EHADLO Cc1ccc(Cl)c(C[N@@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001138030865 1136813768 /nfs/dbraw/zinc/81/37/68/1136813768.db2.gz VKTZGSXLQFHPQR-UHFFFAOYSA-N 1 2 325.815 3.968 20 0 EHADLO Cc1ccc(Cl)c(C[N@H+](C)CCc2noc(C(C)C)n2)c1F ZINC001138030865 1136813770 /nfs/dbraw/zinc/81/37/70/1136813770.db2.gz VKTZGSXLQFHPQR-UHFFFAOYSA-N 1 2 325.815 3.968 20 0 EHADLO COc1ccc([C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)C)cc1 ZINC001135978036 1136832870 /nfs/dbraw/zinc/83/28/70/1136832870.db2.gz GLBXXYYLXLPLCP-MOPGFXCFSA-N 1 2 343.471 3.992 20 0 EHADLO CON(Cc1ccc(Cl)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817786620 1136840221 /nfs/dbraw/zinc/84/02/21/1136840221.db2.gz XGZJSRPVNNCKEW-UHFFFAOYSA-N 1 2 333.819 3.625 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCc3ccc(Br)cc3C2)CCC1=O ZINC001170883148 1136852125 /nfs/dbraw/zinc/85/21/25/1136852125.db2.gz DKERRKLYVTYKLL-HNNXBMFYSA-N 1 2 336.273 3.607 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCc3ccc(Br)cc3C2)CCC1=O ZINC001170883148 1136852127 /nfs/dbraw/zinc/85/21/27/1136852127.db2.gz DKERRKLYVTYKLL-HNNXBMFYSA-N 1 2 336.273 3.607 20 0 EHADLO O=C(CC[N@@H+]1Cc2ccncc2C1)Nc1c(Cl)cccc1Cl ZINC000857878105 1136917444 /nfs/dbraw/zinc/91/74/44/1136917444.db2.gz MAMOICHFQWUJRK-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO O=C(CC[N@H+]1Cc2ccncc2C1)Nc1c(Cl)cccc1Cl ZINC000857878105 1136917448 /nfs/dbraw/zinc/91/74/48/1136917448.db2.gz MAMOICHFQWUJRK-UHFFFAOYSA-N 1 2 336.222 3.733 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(Cl)c1 ZINC000857983001 1136927388 /nfs/dbraw/zinc/92/73/88/1136927388.db2.gz UTYPYRWRVUNMLL-HNNXBMFYSA-N 1 2 333.819 3.590 20 0 EHADLO CC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857983357 1136927394 /nfs/dbraw/zinc/92/73/94/1136927394.db2.gz QESSCLAZDGBLEU-KBPBESRZSA-N 1 2 337.345 3.657 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(C2SCCCS2)cc1 ZINC000857987840 1136927525 /nfs/dbraw/zinc/92/75/25/1136927525.db2.gz ASMOPYMAZOSIOM-AWEZNQCLSA-N 1 2 345.493 3.627 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819429264 1136943936 /nfs/dbraw/zinc/94/39/36/1136943936.db2.gz MNIKBJIVIFMTPH-HOCLYGCPSA-N 1 2 340.801 3.748 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819429264 1136943939 /nfs/dbraw/zinc/94/39/39/1136943939.db2.gz MNIKBJIVIFMTPH-HOCLYGCPSA-N 1 2 340.801 3.748 20 0 EHADLO Cc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)CCC2)cc1 ZINC000819516003 1136950059 /nfs/dbraw/zinc/95/00/59/1136950059.db2.gz HQIBZFNSIVOQLK-QGZVFWFLSA-N 1 2 337.467 3.556 20 0 EHADLO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccns1 ZINC000858316420 1136958095 /nfs/dbraw/zinc/95/80/95/1136958095.db2.gz BTLAKWKZXJMGCP-JTQLQIEISA-N 1 2 345.449 3.846 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001136291971 1136969736 /nfs/dbraw/zinc/96/97/36/1136969736.db2.gz SUZIWQGFSVNEHZ-SFHVURJKSA-N 1 2 325.456 3.922 20 0 EHADLO CC[N@@H+]1CC[C@H](Nc2nccnc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858467289 1136970327 /nfs/dbraw/zinc/97/03/27/1136970327.db2.gz SFUWQBNFSVGTJT-KBPBESRZSA-N 1 2 338.789 3.656 20 0 EHADLO CC[N@H+]1CC[C@H](Nc2nccnc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858467289 1136970329 /nfs/dbraw/zinc/97/03/29/1136970329.db2.gz SFUWQBNFSVGTJT-KBPBESRZSA-N 1 2 338.789 3.656 20 0 EHADLO Cc1ccc2occ(CC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2c1 ZINC000858727201 1136989055 /nfs/dbraw/zinc/98/90/55/1136989055.db2.gz FMTZHFUWKBYFKO-GOSISDBHSA-N 1 2 339.439 3.711 20 0 EHADLO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858727886 1136989311 /nfs/dbraw/zinc/98/93/11/1136989311.db2.gz RSRFTMBVSDSWJS-RCCFBDPRSA-N 1 2 325.456 3.526 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2ccns2)nc[nH+]1)c1ccns1 ZINC000858829879 1136993605 /nfs/dbraw/zinc/99/36/05/1136993605.db2.gz OODXKCHCPXAGHR-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO C[C@@H](Nc1cc(N[C@@H](C)c2ccns2)[nH+]cn1)c1ccns1 ZINC000858829879 1136993607 /nfs/dbraw/zinc/99/36/07/1136993607.db2.gz OODXKCHCPXAGHR-AOOOYVTPSA-N 1 2 332.458 3.736 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)OCc1cccc(Cl)c1 ZINC000858889912 1136996012 /nfs/dbraw/zinc/99/60/12/1136996012.db2.gz LFPNCFIPTWSSJK-UHFFFAOYSA-N 1 2 345.830 3.762 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)Cc2ccccc2C)c1C ZINC000858926475 1136997147 /nfs/dbraw/zinc/99/71/47/1136997147.db2.gz HHWPDKXRNQZAQC-CQSZACIVSA-N 1 2 326.440 3.510 20 0 EHADLO C[C@@H]1CCN(C(=O)c2sccc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000820861144 1137006821 /nfs/dbraw/zinc/00/68/21/1137006821.db2.gz PZTYTWLCVHEUQN-PWSUYJOCSA-N 1 2 325.384 3.606 20 0 EHADLO C[C@@H]1CCN(C(=O)c2sccc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000820861145 1137006879 /nfs/dbraw/zinc/00/68/79/1137006879.db2.gz PZTYTWLCVHEUQN-ZYHUDNBSSA-N 1 2 325.384 3.606 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000859360620 1137012747 /nfs/dbraw/zinc/01/27/47/1137012747.db2.gz FQTIPMKWVFBYNF-IRXDYDNUSA-N 1 2 349.862 3.838 20 0 EHADLO CC(=O)c1ncc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)s1 ZINC001136399385 1137012900 /nfs/dbraw/zinc/01/29/00/1137012900.db2.gz WUNHTRGTDSBHQC-UHFFFAOYSA-N 1 2 340.408 3.605 20 0 EHADLO CCCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCC[C@H]1OC ZINC000821545312 1137031336 /nfs/dbraw/zinc/03/13/36/1137031336.db2.gz WPVUZTZPIIOHFB-QZTJIDSGSA-N 1 2 329.444 3.763 20 0 EHADLO Cc1cn2cc(NC(=O)c3nc(Cl)sc3Cl)ccc2[nH+]1 ZINC001136498733 1137038142 /nfs/dbraw/zinc/03/81/42/1137038142.db2.gz XDUKMRVVTBOBRJ-UHFFFAOYSA-N 1 2 327.196 3.658 20 0 EHADLO CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000822479891 1137061623 /nfs/dbraw/zinc/06/16/23/1137061623.db2.gz UHJXBDJVPQTCJZ-RTBURBONSA-N 1 2 339.483 3.703 20 0 EHADLO CSCCCCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000860592112 1137068063 /nfs/dbraw/zinc/06/80/63/1137068063.db2.gz KXFONEDUVDPBRE-UHFFFAOYSA-N 1 2 331.485 3.802 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000860661829 1137071824 /nfs/dbraw/zinc/07/18/24/1137071824.db2.gz MIHNBWUMIGKWAY-RYQLBKOJSA-N 1 2 332.407 3.602 20 0 EHADLO Cc1cc(NC(=O)[C@@H](O)c2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001136624770 1137072934 /nfs/dbraw/zinc/07/29/34/1137072934.db2.gz JAGIWANQZQXRRI-KRWDZBQOSA-N 1 2 341.798 3.506 20 0 EHADLO Cc1cc(NC(=O)c2cc(F)cc3nccnc32)ccc1-n1cc[nH+]c1 ZINC001136624583 1137072967 /nfs/dbraw/zinc/07/29/67/1137072967.db2.gz AOSHHHJUMZGQDC-UHFFFAOYSA-N 1 2 347.353 3.515 20 0 EHADLO Cc1cc(NC(=O)CCO[C@H](C)CC(C)C)ccc1-n1cc[nH+]c1 ZINC001136624615 1137072972 /nfs/dbraw/zinc/07/29/72/1137072972.db2.gz BNXCFAGMPLANMM-MRXNPFEDSA-N 1 2 329.444 3.961 20 0 EHADLO Cc1cc(NC(=O)C(=O)c2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001136625099 1137073058 /nfs/dbraw/zinc/07/30/58/1137073058.db2.gz XKXFHTJLOQOVMD-UHFFFAOYSA-N 1 2 339.782 3.656 20 0 EHADLO Cc1cc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)nc2ccccc12 ZINC000823075208 1137086181 /nfs/dbraw/zinc/08/61/81/1137086181.db2.gz NMTQEYDQSRJTOM-IBGZPJMESA-N 1 2 342.402 3.828 20 0 EHADLO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nccnc1OC ZINC000823403844 1137098337 /nfs/dbraw/zinc/09/83/37/1137098337.db2.gz CHNJJXFXHIQXSQ-UHFFFAOYSA-N 1 2 325.334 3.526 20 0 EHADLO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nccnc1OC ZINC000823403844 1137098338 /nfs/dbraw/zinc/09/83/38/1137098338.db2.gz CHNJJXFXHIQXSQ-UHFFFAOYSA-N 1 2 325.334 3.526 20 0 EHADLO CCn1nc(C)c(C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000823404713 1137098639 /nfs/dbraw/zinc/09/86/39/1137098639.db2.gz UZXUQMQYIUQQJO-GFCCVEGCSA-N 1 2 326.366 3.818 20 0 EHADLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000823404713 1137098641 /nfs/dbraw/zinc/09/86/41/1137098641.db2.gz UZXUQMQYIUQQJO-GFCCVEGCSA-N 1 2 326.366 3.818 20 0 EHADLO COC(=O)[C@H](Nc1ccc2c(c1)[nH+]cn2-c1ccccc1)C(F)(F)F ZINC001171016030 1137098948 /nfs/dbraw/zinc/09/89/48/1137098948.db2.gz WVXFBBLTPQWEAD-HNNXBMFYSA-N 1 2 349.312 3.541 20 0 EHADLO COC(=O)c1cccc(OCC[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001171017790 1137099579 /nfs/dbraw/zinc/09/95/79/1137099579.db2.gz IINIQWNSHIOGRG-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COC(=O)c1cccc(OCC[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001171017790 1137099580 /nfs/dbraw/zinc/09/95/80/1137099580.db2.gz IINIQWNSHIOGRG-UHFFFAOYSA-N 1 2 331.799 3.521 20 0 EHADLO COc1cc(Cl)ccc1OC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823746576 1137112269 /nfs/dbraw/zinc/11/22/69/1137112269.db2.gz PZPFFKVBWCOZCU-LBPRGKRZSA-N 1 2 348.708 3.644 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000339032188 1137125028 /nfs/dbraw/zinc/12/50/28/1137125028.db2.gz FBRBLWVBEMJYJK-UONOGXRCSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000339032188 1137125029 /nfs/dbraw/zinc/12/50/29/1137125029.db2.gz FBRBLWVBEMJYJK-UONOGXRCSA-N 1 2 336.505 3.639 20 0 EHADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000824139632 1137125743 /nfs/dbraw/zinc/12/57/43/1137125743.db2.gz QZNHQEPSLHXGDD-UFYCRDLUSA-N 1 2 347.418 3.698 20 0 EHADLO Cc1c(F)nccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000862211686 1137132437 /nfs/dbraw/zinc/13/24/37/1137132437.db2.gz AXWNRBDKWIDODJ-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO Cc1c(F)nccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000862211686 1137132438 /nfs/dbraw/zinc/13/24/38/1137132438.db2.gz AXWNRBDKWIDODJ-UHFFFAOYSA-N 1 2 333.382 3.517 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000862240185 1137134231 /nfs/dbraw/zinc/13/42/31/1137134231.db2.gz HUJJSWCLFYTGEC-ZDUSSCGKSA-N 1 2 346.418 3.744 20 0 EHADLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000862240185 1137134232 /nfs/dbraw/zinc/13/42/32/1137134232.db2.gz HUJJSWCLFYTGEC-ZDUSSCGKSA-N 1 2 346.418 3.744 20 0 EHADLO CN(CC(F)F)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000862249813 1137135177 /nfs/dbraw/zinc/13/51/77/1137135177.db2.gz DEEQSZSAQGGJOV-UHFFFAOYSA-N 1 2 338.776 3.780 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(Cc2c(F)ccc(F)c2Cl)CC1 ZINC000862249813 1137135178 /nfs/dbraw/zinc/13/51/78/1137135178.db2.gz DEEQSZSAQGGJOV-UHFFFAOYSA-N 1 2 338.776 3.780 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(Cc2c(F)ccc(F)c2Cl)CC1 ZINC000862249813 1137135179 /nfs/dbraw/zinc/13/51/79/1137135179.db2.gz DEEQSZSAQGGJOV-UHFFFAOYSA-N 1 2 338.776 3.780 20 0 EHADLO Cc1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)n1 ZINC000862249936 1137135469 /nfs/dbraw/zinc/13/54/69/1137135469.db2.gz ALVICHHMOYCLBA-INIZCTEOSA-N 1 2 327.453 3.515 20 0 EHADLO Cc1c[nH]c(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)n1 ZINC000862249936 1137135470 /nfs/dbraw/zinc/13/54/70/1137135470.db2.gz ALVICHHMOYCLBA-INIZCTEOSA-N 1 2 327.453 3.515 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000824376130 1137135746 /nfs/dbraw/zinc/13/57/46/1137135746.db2.gz AUGIYXMIKRUDHN-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000824376130 1137135748 /nfs/dbraw/zinc/13/57/48/1137135748.db2.gz AUGIYXMIKRUDHN-UHFFFAOYSA-N 1 2 337.801 3.726 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000777238591 1137136189 /nfs/dbraw/zinc/13/61/89/1137136189.db2.gz CHHZNHHANAISCK-INIZCTEOSA-N 1 2 344.459 3.764 20 0 EHADLO Cc1c(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)ccnc1F ZINC000862337013 1137138753 /nfs/dbraw/zinc/13/87/53/1137138753.db2.gz QAOZHCFVPUKKED-IYBDPMFKSA-N 1 2 349.450 3.503 20 0 EHADLO Cc1c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)ccnc1F ZINC000862337013 1137138754 /nfs/dbraw/zinc/13/87/54/1137138754.db2.gz QAOZHCFVPUKKED-IYBDPMFKSA-N 1 2 349.450 3.503 20 0 EHADLO Cc1[nH]c(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[nH+]c1C ZINC000862339663 1137138868 /nfs/dbraw/zinc/13/88/68/1137138868.db2.gz BQFXNKRGIKGGOU-NSHDSACASA-N 1 2 331.807 3.581 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccnc(F)c3C)n2)cc1 ZINC000862341360 1137138985 /nfs/dbraw/zinc/13/89/85/1137138985.db2.gz VHIOQLILQVMCNR-CYBMUJFWSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1ccc([C@]2(C)C[N@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC001136891265 1137141370 /nfs/dbraw/zinc/14/13/70/1137141370.db2.gz LYCBWHMRIWXOCM-NRFANRHFSA-N 1 2 335.451 3.699 20 0 EHADLO Cc1ccc([C@]2(C)C[N@@H+](Cc3cnc4cc(C)ccn34)CCO2)cc1 ZINC001136891265 1137141371 /nfs/dbraw/zinc/14/13/71/1137141371.db2.gz LYCBWHMRIWXOCM-NRFANRHFSA-N 1 2 335.451 3.699 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ncc(C(C)C)s1 ZINC000862468104 1137145559 /nfs/dbraw/zinc/14/55/59/1137145559.db2.gz CAHTWNFSHRQSRQ-UHFFFAOYSA-N 1 2 327.494 3.613 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ncc(C(C)C)s1 ZINC000862468104 1137145560 /nfs/dbraw/zinc/14/55/60/1137145560.db2.gz CAHTWNFSHRQSRQ-UHFFFAOYSA-N 1 2 327.494 3.613 20 0 EHADLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136948893 1137155545 /nfs/dbraw/zinc/15/55/45/1137155545.db2.gz RXQVIAAMGXTKGX-LBPRGKRZSA-N 1 2 334.441 3.822 20 0 EHADLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136948893 1137155547 /nfs/dbraw/zinc/15/55/47/1137155547.db2.gz RXQVIAAMGXTKGX-LBPRGKRZSA-N 1 2 334.441 3.822 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000825118352 1137166377 /nfs/dbraw/zinc/16/63/77/1137166377.db2.gz RTAUYQRTVTWPRC-YQHFOJDRSA-N 1 2 347.499 3.870 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cncc(Cl)c2)[C@H](c2ccccc2)C1 ZINC001136997709 1137168697 /nfs/dbraw/zinc/16/86/97/1137168697.db2.gz KYPBXYPMYAIHSN-WMZOPIPTSA-N 1 2 344.842 3.861 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)[C@H](c2ccccc2)C1 ZINC001136997709 1137168698 /nfs/dbraw/zinc/16/86/98/1137168698.db2.gz KYPBXYPMYAIHSN-WMZOPIPTSA-N 1 2 344.842 3.861 20 0 EHADLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2cnc(OC)c(C)c2)c1 ZINC001137009792 1137170655 /nfs/dbraw/zinc/17/06/55/1137170655.db2.gz PSYZJKGOZYNQSS-GOSISDBHSA-N 1 2 344.480 3.697 20 0 EHADLO COc1cccc([C@H]2CSCC[N@H+]2Cc2cnc(OC)c(C)c2)c1 ZINC001137009792 1137170656 /nfs/dbraw/zinc/17/06/56/1137170656.db2.gz PSYZJKGOZYNQSS-GOSISDBHSA-N 1 2 344.480 3.697 20 0 EHADLO CCOCC1CC[NH+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001143337953 1137171981 /nfs/dbraw/zinc/17/19/81/1137171981.db2.gz GNNZBQOXAAOCJX-UHFFFAOYSA-N 1 2 348.231 3.976 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cnc([C@@H](C)O)s2)c2ccco2)cc1 ZINC000825316901 1137172698 /nfs/dbraw/zinc/17/26/98/1137172698.db2.gz XYAWFBIORITQOC-SJKOYZFVSA-N 1 2 344.436 3.677 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000863254338 1137177809 /nfs/dbraw/zinc/17/78/09/1137177809.db2.gz DGFSZFYTAMWKKW-DLBZAZTESA-N 1 2 337.467 3.697 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000863255337 1137178017 /nfs/dbraw/zinc/17/80/17/1137178017.db2.gz CPIXOOOEBPCDOV-SJORKVTESA-N 1 2 337.467 3.697 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339462 1137181834 /nfs/dbraw/zinc/18/18/34/1137181834.db2.gz FLLUYSPOTHEGKH-FOSCPCJNSA-N 1 2 331.489 3.513 20 0 EHADLO C/C=C\C[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)cc(C)n32)C1 ZINC000863339462 1137181836 /nfs/dbraw/zinc/18/18/36/1137181836.db2.gz FLLUYSPOTHEGKH-FOSCPCJNSA-N 1 2 331.489 3.513 20 0 EHADLO Cc1cc[nH+]c(N2CCN(Cc3ccc(F)c(Cl)c3F)CC2)c1 ZINC001143626098 1137185747 /nfs/dbraw/zinc/18/57/47/1137185747.db2.gz IGYPCVWWTRBSJU-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccco1 ZINC000863482035 1137188794 /nfs/dbraw/zinc/18/87/94/1137188794.db2.gz QAYOIPOWPCDBGS-SSZFMOIBSA-N 1 2 349.434 3.509 20 0 EHADLO OC[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)Cc1ccc(F)cc1 ZINC000339058741 1137191864 /nfs/dbraw/zinc/19/18/64/1137191864.db2.gz WLWIVLPURZWTLD-GFCCVEGCSA-N 1 2 328.309 3.503 20 0 EHADLO CCOc1c(F)cc(C[N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)cc1Cl ZINC001143745115 1137195497 /nfs/dbraw/zinc/19/54/97/1137195497.db2.gz LZFPHRWBYFXMRP-NHYWBVRUSA-N 1 2 345.842 3.897 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)cc1Cl ZINC001143745115 1137195498 /nfs/dbraw/zinc/19/54/98/1137195498.db2.gz LZFPHRWBYFXMRP-NHYWBVRUSA-N 1 2 345.842 3.897 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000863670463 1137198437 /nfs/dbraw/zinc/19/84/37/1137198437.db2.gz NHUKCLZVCMERHL-IINYFYTJSA-N 1 2 333.775 3.588 20 0 EHADLO Cc1ccc(Cc2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)s1 ZINC000863675875 1137198923 /nfs/dbraw/zinc/19/89/23/1137198923.db2.gz MYUZXSJOKBYUAQ-SUMWQHHRSA-N 1 2 343.452 3.635 20 0 EHADLO COC(=O)c1cccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001171107853 1137200348 /nfs/dbraw/zinc/20/03/48/1137200348.db2.gz SXCDTXHHCUZWME-CQSZACIVSA-N 1 2 325.412 3.642 20 0 EHADLO COC(=O)c1cccc([C@H](C)Nc2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001171111096 1137204060 /nfs/dbraw/zinc/20/40/60/1137204060.db2.gz UNLYEABEFJRZGT-ZDUSSCGKSA-N 1 2 339.370 3.971 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1F ZINC001143832742 1137204212 /nfs/dbraw/zinc/20/42/12/1137204212.db2.gz IGVWTHJOTQRVTM-HNNXBMFYSA-N 1 2 349.780 3.878 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1F ZINC001143832742 1137204214 /nfs/dbraw/zinc/20/42/14/1137204214.db2.gz IGVWTHJOTQRVTM-HNNXBMFYSA-N 1 2 349.780 3.878 20 0 EHADLO COC(=O)c1ccc(CNc2ccc3c(c2)CCC[N@H+]3C)c(F)c1 ZINC000864007701 1137211319 /nfs/dbraw/zinc/21/13/19/1137211319.db2.gz QJATWBRDHVOSLV-UHFFFAOYSA-N 1 2 328.387 3.607 20 0 EHADLO COC(=O)c1ccc(CNc2ccc3c(c2)CCC[N@@H+]3C)c(F)c1 ZINC000864007701 1137211321 /nfs/dbraw/zinc/21/13/21/1137211321.db2.gz QJATWBRDHVOSLV-UHFFFAOYSA-N 1 2 328.387 3.607 20 0 EHADLO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(F)c1F ZINC001143916382 1137214814 /nfs/dbraw/zinc/21/48/14/1137214814.db2.gz AAFDKNHUORIUKI-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(F)c1F ZINC001143916382 1137214816 /nfs/dbraw/zinc/21/48/16/1137214816.db2.gz AAFDKNHUORIUKI-HNNXBMFYSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(F)c1F ZINC001143918263 1137215094 /nfs/dbraw/zinc/21/50/94/1137215094.db2.gz XPXZQKBNHCRKOI-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cc(NC(=O)c2cc(-c3ccco3)on2)ccc1-n1cc[nH+]c1 ZINC001143934418 1137218350 /nfs/dbraw/zinc/21/83/50/1137218350.db2.gz UTBJLRHLJYJFDM-UHFFFAOYSA-N 1 2 334.335 3.681 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794670869 1137222961 /nfs/dbraw/zinc/22/29/61/1137222961.db2.gz CSUUCEIRZOGUQV-INIZCTEOSA-N 1 2 339.892 3.557 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794670869 1137222963 /nfs/dbraw/zinc/22/29/63/1137222963.db2.gz CSUUCEIRZOGUQV-INIZCTEOSA-N 1 2 339.892 3.557 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)nc2cc(Cl)ccc12 ZINC000844439307 1137223179 /nfs/dbraw/zinc/22/31/79/1137223179.db2.gz OQAMEUNITFRCON-HNNXBMFYSA-N 1 2 339.773 3.610 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)nc2cc(Cl)ccc12 ZINC000844439307 1137223181 /nfs/dbraw/zinc/22/31/81/1137223181.db2.gz OQAMEUNITFRCON-HNNXBMFYSA-N 1 2 339.773 3.610 20 0 EHADLO C[C@@H](CC(=O)O[C@@H]1CCc2c1cccc2OCC1CC1)n1cc[nH+]c1 ZINC000844443178 1137224032 /nfs/dbraw/zinc/22/40/32/1137224032.db2.gz JBKOMNLZOKQSTN-IFXJQAMLSA-N 1 2 340.423 3.854 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](C)c1ccccc1Br)n1cc[nH+]c1 ZINC000844479743 1137225166 /nfs/dbraw/zinc/22/51/66/1137225166.db2.gz QVMWCWHVBJZVTJ-RYUDHWBXSA-N 1 2 337.217 3.901 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)s1 ZINC000794686639 1137226836 /nfs/dbraw/zinc/22/68/36/1137226836.db2.gz VVCGGYTZVVHFDS-XWIAVFTESA-N 1 2 339.464 3.972 20 0 EHADLO Cc1noc(C)c1-c1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000844496530 1137229100 /nfs/dbraw/zinc/22/91/00/1137229100.db2.gz JOCCCQZTCWHLJH-GFCCVEGCSA-N 1 2 325.368 3.712 20 0 EHADLO C[C@@H](CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000864499100 1137230105 /nfs/dbraw/zinc/23/01/05/1137230105.db2.gz KWIOGZMDTOFMIF-HNNXBMFYSA-N 1 2 334.485 3.528 20 0 EHADLO Cc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1Cl ZINC000339069536 1137231557 /nfs/dbraw/zinc/23/15/57/1137231557.db2.gz JGJGDUSBFYTHDE-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO COc1ccc([C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844554637 1137234473 /nfs/dbraw/zinc/23/44/73/1137234473.db2.gz QUAUPTWNUQESRA-IAQYHMDHSA-N 1 2 342.317 3.690 20 0 EHADLO CCCCC1CCC(c2cc(NC(=O)Cc3c[nH]c[nH+]3)n[nH]2)CC1 ZINC001144077139 1137236797 /nfs/dbraw/zinc/23/67/97/1137236797.db2.gz MOJAPEKGECKNED-UHFFFAOYSA-N 1 2 329.448 3.778 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000844577128 1137237553 /nfs/dbraw/zinc/23/75/53/1137237553.db2.gz HKXXOKREYSRMBJ-LLVKDONJSA-N 1 2 340.349 3.558 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139001 1137238178 /nfs/dbraw/zinc/23/81/78/1137238178.db2.gz HOFPXGGJVOAZMW-GWCFXTLKSA-N 1 2 330.255 3.780 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC001144099321 1137238668 /nfs/dbraw/zinc/23/86/68/1137238668.db2.gz TXWSCEHYGKQEPC-MRXNPFEDSA-N 1 2 338.451 3.673 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844684860 1137246957 /nfs/dbraw/zinc/24/69/57/1137246957.db2.gz QVSRLDAGPWAXNO-UHFFFAOYSA-N 1 2 325.865 3.705 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(-c2ccc(Cl)s2)ccc1=O ZINC000844684860 1137246958 /nfs/dbraw/zinc/24/69/58/1137246958.db2.gz QVSRLDAGPWAXNO-UHFFFAOYSA-N 1 2 325.865 3.705 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000844757291 1137250123 /nfs/dbraw/zinc/25/01/23/1137250123.db2.gz OGMSQOYAKJQTNF-BLLLJJGKSA-N 1 2 342.455 3.503 20 0 EHADLO CCC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000844757291 1137250125 /nfs/dbraw/zinc/25/01/25/1137250125.db2.gz OGMSQOYAKJQTNF-BLLLJJGKSA-N 1 2 342.455 3.503 20 0 EHADLO CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)c1=S ZINC000844739582 1137251496 /nfs/dbraw/zinc/25/14/96/1137251496.db2.gz UQOGUIYBXFEEGW-MRXNPFEDSA-N 1 2 348.491 3.936 20 0 EHADLO CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)c1=S ZINC000844739582 1137251497 /nfs/dbraw/zinc/25/14/97/1137251497.db2.gz UQOGUIYBXFEEGW-MRXNPFEDSA-N 1 2 348.491 3.936 20 0 EHADLO Fc1ccc2[nH]nc(C[NH+]3CCC(n4cnc5ccccc54)CC3)c2c1 ZINC001144205788 1137254015 /nfs/dbraw/zinc/25/40/15/1137254015.db2.gz KMUJZXXTCZMDTL-UHFFFAOYSA-N 1 2 349.413 3.889 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(ccnc2Cl)o1 ZINC000864985678 1137256389 /nfs/dbraw/zinc/25/63/89/1137256389.db2.gz NXDSDJDBTQEEBW-CQSZACIVSA-N 1 2 346.818 3.522 20 0 EHADLO CCOC1CC2(C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000865065755 1137261222 /nfs/dbraw/zinc/26/12/22/1137261222.db2.gz UWQJQWUMZNKOCZ-FVRSWCFKSA-N 1 2 345.830 3.669 20 0 EHADLO C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)Cc1cccc(F)c1F ZINC001144356188 1137277897 /nfs/dbraw/zinc/27/78/97/1137277897.db2.gz GZTYBROVLYVMQD-UHFFFAOYSA-N 1 2 346.299 3.933 20 0 EHADLO C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)Cc1cccc(F)c1F ZINC001144356188 1137277898 /nfs/dbraw/zinc/27/78/98/1137277898.db2.gz GZTYBROVLYVMQD-UHFFFAOYSA-N 1 2 346.299 3.933 20 0 EHADLO CCCn1cc(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)nn1 ZINC000865403171 1137280227 /nfs/dbraw/zinc/28/02/27/1137280227.db2.gz SFBIUWQEUUOJTE-HXUWFJFHSA-N 1 2 336.439 3.576 20 0 EHADLO C[C@@H](CC(=O)OCC(=O)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845275682 1137283225 /nfs/dbraw/zinc/28/32/25/1137283225.db2.gz GXUGISJOYVONKL-JTQLQIEISA-N 1 2 341.194 3.567 20 0 EHADLO C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000845276920 1137283261 /nfs/dbraw/zinc/28/32/61/1137283261.db2.gz DXOONKKEXXAEQH-HUUCEWRRSA-N 1 2 342.439 3.946 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ncc(-c2ccccc2)o1 ZINC000845283666 1137283524 /nfs/dbraw/zinc/28/35/24/1137283524.db2.gz YOQDICULSPNQHB-UONOGXRCSA-N 1 2 325.368 3.794 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000845286613 1137283798 /nfs/dbraw/zinc/28/37/98/1137283798.db2.gz QUVGACUWKRJHSS-NWDGAFQWSA-N 1 2 337.217 3.901 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@H]3c3ccccn3)nc[nH+]2)cc1 ZINC000865463027 1137286083 /nfs/dbraw/zinc/28/60/83/1137286083.db2.gz UFBPTPSBZBVJCT-SFHVURJKSA-N 1 2 331.423 3.825 20 0 EHADLO c1ccc(CNc2cc(N3CCC[C@H]3c3ccccn3)[nH+]cn2)cc1 ZINC000865463027 1137286084 /nfs/dbraw/zinc/28/60/84/1137286084.db2.gz UFBPTPSBZBVJCT-SFHVURJKSA-N 1 2 331.423 3.825 20 0 EHADLO COC[C@@H]([NH2+]Cc1nccc(C)c1Br)c1ccccc1 ZINC000865462223 1137286153 /nfs/dbraw/zinc/28/61/53/1137286153.db2.gz LEODXTLFYXCKJJ-OAHLLOKOSA-N 1 2 335.245 3.630 20 0 EHADLO C[C@H](CC(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1 ZINC000845469289 1137293974 /nfs/dbraw/zinc/29/39/74/1137293974.db2.gz SKCQXSJVNSIGCV-GHMZBOCLSA-N 1 2 332.791 3.668 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001144446053 1137294585 /nfs/dbraw/zinc/29/45/85/1137294585.db2.gz KLDMYQBVKVHHBV-QGZVFWFLSA-N 1 2 337.467 3.568 20 0 EHADLO COC1([C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C2CCCCC2)CCC1 ZINC000845574595 1137298904 /nfs/dbraw/zinc/29/89/04/1137298904.db2.gz MWRCJQPTIABGHB-YJBOKZPZSA-N 1 2 334.460 3.895 20 0 EHADLO Cc1ccnc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1Br ZINC000865629177 1137300132 /nfs/dbraw/zinc/30/01/32/1137300132.db2.gz BBKYNMTULHRYBF-AWEZNQCLSA-N 1 2 333.229 3.635 20 0 EHADLO c1ccc(CNc2cc(N3CCC(c4ccccn4)CC3)nc[nH+]2)cc1 ZINC000865638554 1137300975 /nfs/dbraw/zinc/30/09/75/1137300975.db2.gz GUAAVXBGTZBBHY-UHFFFAOYSA-N 1 2 345.450 3.868 20 0 EHADLO c1ccc(CNc2cc(N3CCC(c4ccccn4)CC3)[nH+]cn2)cc1 ZINC000865638554 1137300977 /nfs/dbraw/zinc/30/09/77/1137300977.db2.gz GUAAVXBGTZBBHY-UHFFFAOYSA-N 1 2 345.450 3.868 20 0 EHADLO C[C@@H](C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000845612327 1137302580 /nfs/dbraw/zinc/30/25/80/1137302580.db2.gz USOHCGXMAHNTLH-CYBMUJFWSA-N 1 2 330.815 3.518 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCc1nc(C)c(C)s1)c1ccccc1 ZINC000845710311 1137305801 /nfs/dbraw/zinc/30/58/01/1137305801.db2.gz WYEMFUPKWSYHHI-QGZVFWFLSA-N 1 2 332.469 3.539 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCc1nc(C)c(C)s1)c1ccccc1 ZINC000845710311 1137305802 /nfs/dbraw/zinc/30/58/02/1137305802.db2.gz WYEMFUPKWSYHHI-QGZVFWFLSA-N 1 2 332.469 3.539 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Sc3ccncc3)CC2)c(F)c1 ZINC001144559150 1137309755 /nfs/dbraw/zinc/30/97/55/1137309755.db2.gz JPRCFUWGAOKDOA-UHFFFAOYSA-N 1 2 336.407 3.822 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccccc2OCC(F)(F)F)n1 ZINC000865809611 1137313455 /nfs/dbraw/zinc/31/34/55/1137313455.db2.gz ZMDWWDNGEJJIKX-UHFFFAOYSA-N 1 2 349.303 3.589 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(C)cs1)c1cccc(Br)c1 ZINC000865823576 1137314464 /nfs/dbraw/zinc/31/44/64/1137314464.db2.gz GNSWGEFIVZBZHW-ZDUSSCGKSA-N 1 2 341.274 3.691 20 0 EHADLO Fc1ccccc1COC1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144622877 1137319641 /nfs/dbraw/zinc/31/96/41/1137319641.db2.gz OZCNKCOHYJNAAY-UHFFFAOYSA-N 1 2 339.414 3.655 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1F ZINC000845928594 1137320907 /nfs/dbraw/zinc/32/09/07/1137320907.db2.gz ONNBPPQEQKJAJX-JTQLQIEISA-N 1 2 325.330 3.972 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144657825 1137323647 /nfs/dbraw/zinc/32/36/47/1137323647.db2.gz JTQDCXYORUPODD-UHFFFAOYSA-N 1 2 349.377 3.722 20 0 EHADLO Oc1cc(F)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1F ZINC001144667071 1137325103 /nfs/dbraw/zinc/32/51/03/1137325103.db2.gz QWENOYBQOOKFNY-UHFFFAOYSA-N 1 2 337.341 3.853 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2coc3ccc(Cl)cc23)C1 ZINC000846018811 1137326454 /nfs/dbraw/zinc/32/64/54/1137326454.db2.gz PQDYTXPNWSGWIZ-LBPRGKRZSA-N 1 2 343.814 3.840 20 0 EHADLO C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)c1nnnn1C1CC1 ZINC000866153524 1137332078 /nfs/dbraw/zinc/33/20/78/1137332078.db2.gz CCXAECSDZDWMTC-QMMMGPOBSA-N 1 2 332.770 3.522 20 0 EHADLO Cc1cc(C[NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)no1 ZINC000846064680 1137332247 /nfs/dbraw/zinc/33/22/47/1137332247.db2.gz IDVOYQYFRMDBBL-UHFFFAOYSA-N 1 2 345.443 3.640 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc2c(c1)OCCO2 ZINC000866215568 1137335815 /nfs/dbraw/zinc/33/58/15/1137335815.db2.gz KHPOMIAMEHDCQW-HGQUKEQDSA-N 1 2 329.371 3.580 20 0 EHADLO CCc1nc(C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)co1 ZINC000846170779 1137337891 /nfs/dbraw/zinc/33/78/91/1137337891.db2.gz ZYAJBZSYYFPBHN-AWEZNQCLSA-N 1 2 334.416 3.504 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cc2cnccc2o1 ZINC000866265413 1137340671 /nfs/dbraw/zinc/34/06/71/1137340671.db2.gz KZDCNXGDTGBKFY-NSHDSACASA-N 1 2 336.399 3.896 20 0 EHADLO CCOc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)ccc1OC ZINC000866266556 1137340833 /nfs/dbraw/zinc/34/08/33/1137340833.db2.gz LBQWQXATISZOEK-KXBFYZLASA-N 1 2 331.387 3.655 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+][C@@H]2c3ccccc3OC[C@H]2F)c2ccccc21 ZINC000866313012 1137344787 /nfs/dbraw/zinc/34/47/87/1137344787.db2.gz UGZGEYXSHWAQBB-FUHIMQAGSA-N 1 2 340.398 3.546 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2F)n1 ZINC000866395340 1137351598 /nfs/dbraw/zinc/35/15/98/1137351598.db2.gz QPURTBAWOJLDLY-IBGZPJMESA-N 1 2 342.393 3.650 20 0 EHADLO CC(C)(C)OC1CCC([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000866449987 1137355781 /nfs/dbraw/zinc/35/57/81/1137355781.db2.gz BMOULWXBYOFLBC-JCYILVPMSA-N 1 2 328.460 3.610 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1OC(F)F ZINC000866562822 1137364853 /nfs/dbraw/zinc/36/48/53/1137364853.db2.gz GGPFEESXHXQHIX-SECBINFHSA-N 1 2 331.313 3.810 20 0 EHADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000846858661 1137372397 /nfs/dbraw/zinc/37/23/97/1137372397.db2.gz QGSLMMRDLYQRHJ-OAQYLSRUSA-N 1 2 337.419 3.547 20 0 EHADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000846858661 1137372399 /nfs/dbraw/zinc/37/23/99/1137372399.db2.gz QGSLMMRDLYQRHJ-OAQYLSRUSA-N 1 2 337.419 3.547 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690030 1137374096 /nfs/dbraw/zinc/37/40/96/1137374096.db2.gz SVTYBUQMVRHRIA-CQSZACIVSA-N 1 2 335.407 3.879 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690030 1137374097 /nfs/dbraw/zinc/37/40/97/1137374097.db2.gz SVTYBUQMVRHRIA-CQSZACIVSA-N 1 2 335.407 3.879 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1ccc(Cl)cc1Br ZINC000121732415 1137383339 /nfs/dbraw/zinc/38/33/39/1137383339.db2.gz FKYVZBZZGGUQJS-UHFFFAOYSA-N 1 2 343.608 3.685 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCc2ccccc2C(C)(C)C1)n1cc[nH+]c1 ZINC001146988431 1137398004 /nfs/dbraw/zinc/39/80/04/1137398004.db2.gz JRTNLVAIECNODJ-LJQANCHMSA-N 1 2 339.483 3.833 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000122150890 1137408949 /nfs/dbraw/zinc/40/89/49/1137408949.db2.gz OGZXANWFIUYIHC-SFHVURJKSA-N 1 2 325.456 3.768 20 0 EHADLO CC(C)C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)ccc1=O ZINC000122150890 1137408950 /nfs/dbraw/zinc/40/89/50/1137408950.db2.gz OGZXANWFIUYIHC-SFHVURJKSA-N 1 2 325.456 3.768 20 0 EHADLO CCCOc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000339081854 1137416964 /nfs/dbraw/zinc/41/69/64/1137416964.db2.gz WODAHODXMKCIMZ-UHFFFAOYSA-N 1 2 349.434 3.650 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000044867015 1137422999 /nfs/dbraw/zinc/42/29/99/1137422999.db2.gz QYRDQSZPCLJCPB-RKDXNWHRSA-N 1 2 330.190 3.767 20 0 EHADLO Cc1c(F)c(F)ccc1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001148600892 1137428132 /nfs/dbraw/zinc/42/81/32/1137428132.db2.gz JCGBBFFRYKDGTA-UHFFFAOYSA-N 1 2 341.361 3.731 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001148733018 1137432540 /nfs/dbraw/zinc/43/25/40/1137432540.db2.gz JDRCHEMNVYRAQQ-MRXNPFEDSA-N 1 2 333.435 3.614 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001148733018 1137432541 /nfs/dbraw/zinc/43/25/41/1137432541.db2.gz JDRCHEMNVYRAQQ-MRXNPFEDSA-N 1 2 333.435 3.614 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCCCCC1CC1)c1ccccc1 ZINC000869055772 1137435162 /nfs/dbraw/zinc/43/51/62/1137435162.db2.gz VEICWEAOHVBHKI-SFHVURJKSA-N 1 2 340.471 3.583 20 0 EHADLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3cc(C)oc3C)o2)cc1 ZINC000348106890 1137441211 /nfs/dbraw/zinc/44/12/11/1137441211.db2.gz HHTLXWBPIDHTSL-LBPRGKRZSA-N 1 2 327.384 3.806 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1OCC ZINC000282724355 1137441977 /nfs/dbraw/zinc/44/19/77/1137441977.db2.gz MEGTYNOPLFMUMD-AWEZNQCLSA-N 1 2 346.475 3.681 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)Cc1ccncc1 ZINC000348129235 1137443937 /nfs/dbraw/zinc/44/39/37/1137443937.db2.gz RJBCNXIFTNUNSA-FQEVSTJZSA-N 1 2 339.483 3.807 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)Cc1ccncc1 ZINC000348129235 1137443939 /nfs/dbraw/zinc/44/39/39/1137443939.db2.gz RJBCNXIFTNUNSA-FQEVSTJZSA-N 1 2 339.483 3.807 20 0 EHADLO CCCCCn1cc(CNc2cc(N3CCCCC3)nc[nH+]2)c(C)n1 ZINC000348108951 1137445529 /nfs/dbraw/zinc/44/55/29/1137445529.db2.gz VHAGENGNTLFRPI-UHFFFAOYSA-N 1 2 342.491 3.774 20 0 EHADLO CCCCCn1cc(CNc2cc(N3CCCCC3)[nH+]cn2)c(C)n1 ZINC000348108951 1137445530 /nfs/dbraw/zinc/44/55/30/1137445530.db2.gz VHAGENGNTLFRPI-UHFFFAOYSA-N 1 2 342.491 3.774 20 0 EHADLO C[C@@H]1C[N@H+](CCC(=O)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068335 1137445852 /nfs/dbraw/zinc/44/58/52/1137445852.db2.gz DTHQMAQAEAIRPS-PXAZEXFGSA-N 1 2 341.373 3.836 20 0 EHADLO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795068335 1137445854 /nfs/dbraw/zinc/44/58/54/1137445854.db2.gz DTHQMAQAEAIRPS-PXAZEXFGSA-N 1 2 341.373 3.836 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2csc(C)n2)cs1 ZINC000348166505 1137446227 /nfs/dbraw/zinc/44/62/27/1137446227.db2.gz ORTFUJOVLBDIAL-LLVKDONJSA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2csc(C)n2)cs1 ZINC000348166505 1137446228 /nfs/dbraw/zinc/44/62/28/1137446228.db2.gz ORTFUJOVLBDIAL-LLVKDONJSA-N 1 2 325.503 3.680 20 0 EHADLO Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc[nH]3)s2)cn1 ZINC000282769079 1137447278 /nfs/dbraw/zinc/44/72/78/1137447278.db2.gz JHHMBRUNAFDASY-OAHLLOKOSA-N 1 2 327.457 3.599 20 0 EHADLO Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc[nH]3)s2)cn1 ZINC000282769079 1137447280 /nfs/dbraw/zinc/44/72/80/1137447280.db2.gz JHHMBRUNAFDASY-OAHLLOKOSA-N 1 2 327.457 3.599 20 0 EHADLO OCCC[N@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000348139611 1137448073 /nfs/dbraw/zinc/44/80/73/1137448073.db2.gz NRIRGFIYIOXLEY-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000348139611 1137448074 /nfs/dbraw/zinc/44/80/74/1137448074.db2.gz NRIRGFIYIOXLEY-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076118 1137450970 /nfs/dbraw/zinc/45/09/70/1137450970.db2.gz SBGYUWQNHMVFOZ-WBMJQRKESA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795076118 1137450971 /nfs/dbraw/zinc/45/09/71/1137450971.db2.gz SBGYUWQNHMVFOZ-WBMJQRKESA-N 1 2 329.362 3.836 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c(C)s1 ZINC000773016623 1137459625 /nfs/dbraw/zinc/45/96/25/1137459625.db2.gz QKCNCZJNIUOTCL-WBMJQRKESA-N 1 2 329.469 3.524 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000339097342 1137476565 /nfs/dbraw/zinc/47/65/65/1137476565.db2.gz UWULSWUNUZUFNY-HSZRJFAPSA-N 1 2 336.545 3.891 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000339097342 1137476566 /nfs/dbraw/zinc/47/65/66/1137476566.db2.gz UWULSWUNUZUFNY-HSZRJFAPSA-N 1 2 336.545 3.891 20 0 EHADLO CC(C)c1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000773197606 1137477080 /nfs/dbraw/zinc/47/70/80/1137477080.db2.gz KLPXEGLRVNBHPQ-UHFFFAOYSA-N 1 2 327.409 3.809 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253750 1137481468 /nfs/dbraw/zinc/48/14/68/1137481468.db2.gz YYRBUVXFWQNUBS-IAGOWNOFSA-N 1 2 345.874 3.573 20 0 EHADLO O=C1[C@@H]2CCCCC[C@H]2N1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773253750 1137481469 /nfs/dbraw/zinc/48/14/69/1137481469.db2.gz YYRBUVXFWQNUBS-IAGOWNOFSA-N 1 2 345.874 3.573 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773256213 1137481755 /nfs/dbraw/zinc/48/17/55/1137481755.db2.gz BHSNABDZHAQTIW-STQMWFEESA-N 1 2 339.530 3.648 20 0 EHADLO S=c1sc(C2CC2)nn1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773256213 1137481756 /nfs/dbraw/zinc/48/17/56/1137481756.db2.gz BHSNABDZHAQTIW-STQMWFEESA-N 1 2 339.530 3.648 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cccc(C(C)C)c2)c1C ZINC000773261442 1137481992 /nfs/dbraw/zinc/48/19/92/1137481992.db2.gz XZEFJCVTFNAHAO-UHFFFAOYSA-N 1 2 341.455 3.830 20 0 EHADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171461615 1137490605 /nfs/dbraw/zinc/49/06/05/1137490605.db2.gz ZVRVXZKQXJNXFI-ZDUSSCGKSA-N 1 2 325.399 3.532 20 0 EHADLO CC(=O)CC(C)(C)Nc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001171495594 1137491799 /nfs/dbraw/zinc/49/17/99/1137491799.db2.gz JOTDVDDYRLYOJO-UHFFFAOYSA-N 1 2 326.400 3.895 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H]2CCCC[C@H]12 ZINC001171534542 1137493779 /nfs/dbraw/zinc/49/37/79/1137493779.db2.gz WOSOZTXIBIDKOA-WWGRRREGSA-N 1 2 337.385 3.795 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H]2CCCC[C@H]12 ZINC001171534542 1137493781 /nfs/dbraw/zinc/49/37/81/1137493781.db2.gz WOSOZTXIBIDKOA-WWGRRREGSA-N 1 2 337.385 3.795 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC001171707776 1137505352 /nfs/dbraw/zinc/50/53/52/1137505352.db2.gz VZBHUGRXCYEXSO-KGLIPLIRSA-N 1 2 331.412 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC001171707776 1137505354 /nfs/dbraw/zinc/50/53/54/1137505354.db2.gz VZBHUGRXCYEXSO-KGLIPLIRSA-N 1 2 331.412 3.609 20 0 EHADLO C[C@@H]1C[C@H](NC(C(F)(F)F)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001171732327 1137507056 /nfs/dbraw/zinc/50/70/56/1137507056.db2.gz IXGUFBGAMPIPPE-PWSUYJOCSA-N 1 2 340.311 3.732 20 0 EHADLO C[C@@H]1C[C@H](NC(C(F)(F)F)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001171732327 1137507058 /nfs/dbraw/zinc/50/70/58/1137507058.db2.gz IXGUFBGAMPIPPE-PWSUYJOCSA-N 1 2 340.311 3.732 20 0 EHADLO CC(C)COc1ccccc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429554141 1137509103 /nfs/dbraw/zinc/50/91/03/1137509103.db2.gz IQKPUYACBIKZFC-UHFFFAOYSA-N 1 2 327.472 3.886 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001171861546 1137516215 /nfs/dbraw/zinc/51/62/15/1137516215.db2.gz PCGALDKKCPPFIJ-FQEVSTJZSA-N 1 2 345.446 3.768 20 0 EHADLO Cc1nc2ccccc2c(C)c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001171861546 1137516216 /nfs/dbraw/zinc/51/62/16/1137516216.db2.gz PCGALDKKCPPFIJ-FQEVSTJZSA-N 1 2 345.446 3.768 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000871081660 1137522075 /nfs/dbraw/zinc/52/20/75/1137522075.db2.gz XHGANRHVMDSMKY-OXQOHEQNSA-N 1 2 325.456 3.521 20 0 EHADLO Cc1ccc(C[C@@]2(C)CCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000871081660 1137522076 /nfs/dbraw/zinc/52/20/76/1137522076.db2.gz XHGANRHVMDSMKY-OXQOHEQNSA-N 1 2 325.456 3.521 20 0 EHADLO CCCCn1c(SCc2nocc2C)nnc1[C@H](CC)[NH+](C)C ZINC000871628419 1137549881 /nfs/dbraw/zinc/54/98/81/1137549881.db2.gz UXBHKDFPOJIDHA-AWEZNQCLSA-N 1 2 337.493 3.680 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)CCO[C@H](C)CC ZINC001172355470 1137554240 /nfs/dbraw/zinc/55/42/40/1137554240.db2.gz VJBVSVVHSDNXKM-HUUCEWRRSA-N 1 2 327.490 3.707 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)CCO[C@H](C)CC ZINC001172355470 1137554241 /nfs/dbraw/zinc/55/42/41/1137554241.db2.gz VJBVSVVHSDNXKM-HUUCEWRRSA-N 1 2 327.490 3.707 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)C(=O)Nc1ccc(C)cc1 ZINC000871873882 1137561618 /nfs/dbraw/zinc/56/16/18/1137561618.db2.gz XHBDZHAXQMJWQW-SFHVURJKSA-N 1 2 348.450 3.754 20 0 EHADLO CC(C)(C)c1cn(C[C@H](O)c2ccc(OC(F)(F)F)cc2)c[nH+]1 ZINC000871989407 1137564114 /nfs/dbraw/zinc/56/41/14/1137564114.db2.gz NJOXWBCONZSSCF-ZDUSSCGKSA-N 1 2 328.334 3.813 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cc(O)ccc1F ZINC000872069232 1137569431 /nfs/dbraw/zinc/56/94/31/1137569431.db2.gz NIPJKKZWLAYPPY-JTQLQIEISA-N 1 2 344.308 3.718 20 0 EHADLO C[C@@H]1CCN(c2nc(Cl)nc3sccc32)C[C@H]1n1cc[nH+]c1 ZINC000872481345 1137580737 /nfs/dbraw/zinc/58/07/37/1137580737.db2.gz GKBGQMAEVNELCQ-ZYHUDNBSSA-N 1 2 333.848 3.629 20 0 EHADLO CC(=O)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000872668740 1137582680 /nfs/dbraw/zinc/58/26/80/1137582680.db2.gz YSHJXCNPFFBTAS-UHFFFAOYSA-N 1 2 333.229 3.803 20 0 EHADLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3)cn2)CC[C@H](C(F)(F)F)O1 ZINC000872816862 1137585035 /nfs/dbraw/zinc/58/50/35/1137585035.db2.gz PRBCRVATFPCTOF-XJKSGUPXSA-N 1 2 339.361 3.549 20 0 EHADLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3)cn2)CC[C@H](C(F)(F)F)O1 ZINC000872816862 1137585036 /nfs/dbraw/zinc/58/50/36/1137585036.db2.gz PRBCRVATFPCTOF-XJKSGUPXSA-N 1 2 339.361 3.549 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)c(Br)cc1F ZINC000873186720 1137593306 /nfs/dbraw/zinc/59/33/06/1137593306.db2.gz WIZWCUMELQICNN-LLVKDONJSA-N 1 2 338.224 3.846 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Cc2cccc(Cl)c2)c1C ZINC000125156982 1137622523 /nfs/dbraw/zinc/62/25/23/1137622523.db2.gz IAKFFHAQFLWKGG-LBPRGKRZSA-N 1 2 346.858 3.855 20 0 EHADLO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000875097425 1137629088 /nfs/dbraw/zinc/62/90/88/1137629088.db2.gz KKYRMXQJVGISQU-AWEZNQCLSA-N 1 2 335.448 3.591 20 0 EHADLO CN(C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000876213314 1137646287 /nfs/dbraw/zinc/64/62/87/1137646287.db2.gz QSQXLLXEKJGKIG-UXHICEINSA-N 1 2 335.451 3.502 20 0 EHADLO CN(C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000876213314 1137646288 /nfs/dbraw/zinc/64/62/88/1137646288.db2.gz QSQXLLXEKJGKIG-UXHICEINSA-N 1 2 335.451 3.502 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876549017 1137655098 /nfs/dbraw/zinc/65/50/98/1137655098.db2.gz YFBGGJJBNYUOPI-LBPRGKRZSA-N 1 2 337.452 3.771 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876549017 1137655099 /nfs/dbraw/zinc/65/50/99/1137655099.db2.gz YFBGGJJBNYUOPI-LBPRGKRZSA-N 1 2 337.452 3.771 20 0 EHADLO Cc1ccnc(C[NH+]2CCC(C(F)(F)F)CC2)c1Br ZINC000876563898 1137655763 /nfs/dbraw/zinc/65/57/63/1137655763.db2.gz FYYVKGVGVOHUEN-UHFFFAOYSA-N 1 2 337.183 3.927 20 0 EHADLO COc1ccc(Cn2cc(C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)nn2)cc1 ZINC000876794236 1137661494 /nfs/dbraw/zinc/66/14/94/1137661494.db2.gz POIBXAAMUTWFHW-IERDGZPVSA-N 1 2 348.450 3.528 20 0 EHADLO COc1ccc(Cn2cc(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)nn2)cc1 ZINC000876794236 1137661495 /nfs/dbraw/zinc/66/14/95/1137661495.db2.gz POIBXAAMUTWFHW-IERDGZPVSA-N 1 2 348.450 3.528 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000876792852 1137661560 /nfs/dbraw/zinc/66/15/60/1137661560.db2.gz WFSNRGVGBZZGPO-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000876792852 1137661561 /nfs/dbraw/zinc/66/15/61/1137661561.db2.gz WFSNRGVGBZZGPO-OAHLLOKOSA-N 1 2 334.261 3.910 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/C1CCCCC1 ZINC000126164379 1137662221 /nfs/dbraw/zinc/66/22/21/1137662221.db2.gz DQWYAWCOXAZQDG-MDZDMXLPSA-N 1 2 342.483 3.902 20 0 EHADLO Cc1ncsc1C[NH2+]Cc1nc(Cl)ccc1Br ZINC000877015372 1137667682 /nfs/dbraw/zinc/66/76/82/1137667682.db2.gz NKKJFQISRGWDRN-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc3c(c2)CCCC(=O)N3)c1C ZINC000877160397 1137671816 /nfs/dbraw/zinc/67/18/16/1137671816.db2.gz KPABYPOVQFNCOD-UHFFFAOYSA-N 1 2 325.412 3.594 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877167841 1137671972 /nfs/dbraw/zinc/67/19/72/1137671972.db2.gz KVGZXDOJYPBQID-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877167841 1137671973 /nfs/dbraw/zinc/67/19/73/1137671973.db2.gz KVGZXDOJYPBQID-WDEREUQCSA-N 1 2 345.896 3.532 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nc(Cl)cs2)CC1 ZINC000877377169 1137674963 /nfs/dbraw/zinc/67/49/63/1137674963.db2.gz XBJRLNWOXQFKNR-LLVKDONJSA-N 1 2 327.906 3.737 20 0 EHADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000877471598 1137677368 /nfs/dbraw/zinc/67/73/68/1137677368.db2.gz ZWODHSIZQUXBJM-LLVKDONJSA-N 1 2 332.404 3.576 20 0 EHADLO OCC1(Cc2ccccc2)CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000877480351 1137677661 /nfs/dbraw/zinc/67/76/61/1137677661.db2.gz SGDNGSUUAXAIAP-UHFFFAOYSA-N 1 2 336.888 3.614 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1Br ZINC000877485798 1137678082 /nfs/dbraw/zinc/67/80/82/1137678082.db2.gz AEZKCYSEHOHREB-ZJUUUORDSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1Br ZINC000877485798 1137678083 /nfs/dbraw/zinc/67/80/83/1137678083.db2.gz AEZKCYSEHOHREB-ZJUUUORDSA-N 1 2 337.183 3.925 20 0 EHADLO FC(F)(F)[C@H](C[NH2+]Cc1nc(Cl)cs1)OC1CCCC1 ZINC000877624068 1137683377 /nfs/dbraw/zinc/68/33/77/1137683377.db2.gz ILAIIRQHNXIPDC-VIFPVBQESA-N 1 2 328.787 3.776 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)n1 ZINC000877714050 1137686818 /nfs/dbraw/zinc/68/68/18/1137686818.db2.gz QNBUCUWANUIHDC-OAHLLOKOSA-N 1 2 342.512 3.820 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)n1 ZINC000877714050 1137686819 /nfs/dbraw/zinc/68/68/19/1137686819.db2.gz QNBUCUWANUIHDC-OAHLLOKOSA-N 1 2 342.512 3.820 20 0 EHADLO COc1ccccc1[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000877754321 1137687924 /nfs/dbraw/zinc/68/79/24/1137687924.db2.gz BCAJYXQDDNBAKY-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000877754321 1137687925 /nfs/dbraw/zinc/68/79/25/1137687925.db2.gz BCAJYXQDDNBAKY-NRFANRHFSA-N 1 2 334.419 3.817 20 0 EHADLO Fc1ccc(N2CC[NH+](Cc3ccc(C(F)F)nc3)CC2)c(F)c1 ZINC000877748250 1137687936 /nfs/dbraw/zinc/68/79/36/1137687936.db2.gz YPBBFIVSXBBXCF-UHFFFAOYSA-N 1 2 339.336 3.620 20 0 EHADLO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000877780207 1137689340 /nfs/dbraw/zinc/68/93/40/1137689340.db2.gz WLFJFQVRXAYZDL-UHFFFAOYSA-N 1 2 343.492 3.742 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cccc(O)c1Cl)CC2 ZINC000877817948 1137691406 /nfs/dbraw/zinc/69/14/06/1137691406.db2.gz UIEBDPXJHJXTPC-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cccc(O)c1Cl)CC2 ZINC000877817948 1137691407 /nfs/dbraw/zinc/69/14/07/1137691407.db2.gz UIEBDPXJHJXTPC-UHFFFAOYSA-N 1 2 330.815 3.562 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000877918031 1137695552 /nfs/dbraw/zinc/69/55/52/1137695552.db2.gz ACIUCBRFMQLMPH-UHFFFAOYSA-N 1 2 327.409 3.668 20 0 EHADLO Oc1ccccc1-c1nnc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000877918031 1137695553 /nfs/dbraw/zinc/69/55/53/1137695553.db2.gz ACIUCBRFMQLMPH-UHFFFAOYSA-N 1 2 327.409 3.668 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](Cc3cccs3)C3CC3)cs2)n1 ZINC000877919563 1137695701 /nfs/dbraw/zinc/69/57/01/1137695701.db2.gz VZVHZIJCZTUNRU-UHFFFAOYSA-N 1 2 330.482 3.770 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](Cc3cccs3)C3CC3)cs2)n1 ZINC000877919563 1137695702 /nfs/dbraw/zinc/69/57/02/1137695702.db2.gz VZVHZIJCZTUNRU-UHFFFAOYSA-N 1 2 330.482 3.770 20 0 EHADLO COCc1csc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000826017111 1137701163 /nfs/dbraw/zinc/70/11/63/1137701163.db2.gz OCMFYXGFBKQKBN-AWEZNQCLSA-N 1 2 337.407 3.826 20 0 EHADLO COCc1csc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000826017111 1137701164 /nfs/dbraw/zinc/70/11/64/1137701164.db2.gz OCMFYXGFBKQKBN-AWEZNQCLSA-N 1 2 337.407 3.826 20 0 EHADLO Cc1conc1C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000878175212 1137706061 /nfs/dbraw/zinc/70/60/61/1137706061.db2.gz YRUXBDLQHJZBKR-UHFFFAOYSA-N 1 2 349.475 3.595 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286504 1137709845 /nfs/dbraw/zinc/70/98/45/1137709845.db2.gz PNNCHBYOEAJKRL-APWZRJJASA-N 1 2 345.389 3.736 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1F ZINC000878286504 1137709846 /nfs/dbraw/zinc/70/98/46/1137709846.db2.gz PNNCHBYOEAJKRL-APWZRJJASA-N 1 2 345.389 3.736 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000878345849 1137711757 /nfs/dbraw/zinc/71/17/57/1137711757.db2.gz BRHITWHSIZMQIO-CYBMUJFWSA-N 1 2 339.395 3.610 20 0 EHADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000878354180 1137712275 /nfs/dbraw/zinc/71/22/75/1137712275.db2.gz DSBZRPFHUDHAHU-NSHDSACASA-N 1 2 346.431 3.542 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1ccccc1 ZINC000878368162 1137713063 /nfs/dbraw/zinc/71/30/63/1137713063.db2.gz HNJGKTHSOPPXHQ-RCDICMHDSA-N 1 2 331.359 3.508 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392992 1137714077 /nfs/dbraw/zinc/71/40/77/1137714077.db2.gz TYZITSISKJWMCB-JQWIXIFHSA-N 1 2 341.333 3.605 20 0 EHADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878392992 1137714078 /nfs/dbraw/zinc/71/40/78/1137714078.db2.gz TYZITSISKJWMCB-JQWIXIFHSA-N 1 2 341.333 3.605 20 0 EHADLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878403105 1137714611 /nfs/dbraw/zinc/71/46/11/1137714611.db2.gz UOLZDCZCNNIHGI-HNNXBMFYSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878403105 1137714612 /nfs/dbraw/zinc/71/46/12/1137714612.db2.gz UOLZDCZCNNIHGI-HNNXBMFYSA-N 1 2 349.272 3.617 20 0 EHADLO COCC[C@@H]([NH2+]Cc1coc(-c2ccccc2OC)n1)c1ccco1 ZINC000878412333 1137714932 /nfs/dbraw/zinc/71/49/32/1137714932.db2.gz RZVRYHJAZVRMNP-MRXNPFEDSA-N 1 2 342.395 3.811 20 0 EHADLO COCC[C@H]([NH2+]Cc1coc(-c2ccccc2OC)n1)c1ccco1 ZINC000878412332 1137714939 /nfs/dbraw/zinc/71/49/39/1137714939.db2.gz RZVRYHJAZVRMNP-INIZCTEOSA-N 1 2 342.395 3.811 20 0 EHADLO CCOC(=O)c1ncc(C[NH2+][C@@H](C)c2nc3ccccc3s2)s1 ZINC000878418203 1137715156 /nfs/dbraw/zinc/71/51/56/1137715156.db2.gz WEUWXDGVHTYRAE-JTQLQIEISA-N 1 2 347.465 3.780 20 0 EHADLO COc1ccc(C[N@H+](Cc2nocc2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000878564523 1137720396 /nfs/dbraw/zinc/72/03/96/1137720396.db2.gz BWQNLSLUCRMBSK-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nocc2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000878564523 1137720397 /nfs/dbraw/zinc/72/03/97/1137720397.db2.gz BWQNLSLUCRMBSK-AWEZNQCLSA-N 1 2 330.428 3.801 20 0 EHADLO Cc1cn2cc(NC(=O)NC3CCC(OC(C)(C)C)CC3)ccc2[nH+]1 ZINC000878566227 1137720536 /nfs/dbraw/zinc/72/05/36/1137720536.db2.gz VYPTUKFKIQKGCZ-UHFFFAOYSA-N 1 2 344.459 3.891 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615140 1137722214 /nfs/dbraw/zinc/72/22/14/1137722214.db2.gz CBWNZBBITLANMQ-ARFHVFGLSA-N 1 2 349.475 3.653 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)OC1 ZINC000878615140 1137722215 /nfs/dbraw/zinc/72/22/15/1137722215.db2.gz CBWNZBBITLANMQ-ARFHVFGLSA-N 1 2 349.475 3.653 20 0 EHADLO Fc1cccc(N2CCC[N@H+](Cc3coc(C4CC4)n3)CC2)c1F ZINC000878663145 1137724164 /nfs/dbraw/zinc/72/41/64/1137724164.db2.gz WFQKIMQWEIOKIE-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO Fc1cccc(N2CCC[N@@H+](Cc3coc(C4CC4)n3)CC2)c1F ZINC000878663145 1137724165 /nfs/dbraw/zinc/72/41/65/1137724165.db2.gz WFQKIMQWEIOKIE-UHFFFAOYSA-N 1 2 333.382 3.543 20 0 EHADLO Cc1conc1C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000878666459 1137724391 /nfs/dbraw/zinc/72/43/91/1137724391.db2.gz BMMFJLDHLUJFME-UHFFFAOYSA-N 1 2 331.363 3.838 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CCOCC23CCCCC3)co1 ZINC000878683716 1137724931 /nfs/dbraw/zinc/72/49/31/1137724931.db2.gz GMWSOEXXGFBRGZ-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CCOCC23CCCCC3)co1 ZINC000878683716 1137724932 /nfs/dbraw/zinc/72/49/32/1137724932.db2.gz GMWSOEXXGFBRGZ-UHFFFAOYSA-N 1 2 342.439 3.885 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nc3c(o2)CCCC3)c2cccs2)CCC1 ZINC000878691701 1137725199 /nfs/dbraw/zinc/72/51/99/1137725199.db2.gz QVQZTFFXQJMQJH-KRWDZBQOSA-N 1 2 332.469 3.608 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccccc3OC)n2)[C@@H](CC)CO1 ZINC000878804072 1137728762 /nfs/dbraw/zinc/72/87/62/1137728762.db2.gz OYXMDMJIAOMNEN-JKSUJKDBSA-N 1 2 330.428 3.740 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3OC)n2)[C@@H](CC)CO1 ZINC000878804072 1137728763 /nfs/dbraw/zinc/72/87/63/1137728763.db2.gz OYXMDMJIAOMNEN-JKSUJKDBSA-N 1 2 330.428 3.740 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ncccn3)cc(=O)oc2c1C ZINC000878977158 1137734063 /nfs/dbraw/zinc/73/40/63/1137734063.db2.gz ZLZPURPHCLYDKP-QGZVFWFLSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3ncccn3)cc(=O)oc2c1C ZINC000878977158 1137734064 /nfs/dbraw/zinc/73/40/64/1137734064.db2.gz ZLZPURPHCLYDKP-QGZVFWFLSA-N 1 2 335.407 3.537 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000878994497 1137734524 /nfs/dbraw/zinc/73/45/24/1137734524.db2.gz RYRUIEAMIDVTEY-CYBMUJFWSA-N 1 2 347.846 3.843 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2noc3c2CC(C)(C)CC3)C2CC2)cn1 ZINC000879066787 1137736956 /nfs/dbraw/zinc/73/69/56/1137736956.db2.gz OIJRPEONZLHGRI-IBGZPJMESA-N 1 2 341.455 3.834 20 0 EHADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000879151480 1137739538 /nfs/dbraw/zinc/73/95/38/1137739538.db2.gz ANCXAXHHXMBEIY-GUYCJALGSA-N 1 2 347.409 3.549 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477200 1137748961 /nfs/dbraw/zinc/74/89/61/1137748961.db2.gz CILRXBSGGYJBEY-GOSISDBHSA-N 1 2 341.492 3.552 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477200 1137748962 /nfs/dbraw/zinc/74/89/62/1137748962.db2.gz CILRXBSGGYJBEY-GOSISDBHSA-N 1 2 341.492 3.552 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000879727116 1137756610 /nfs/dbraw/zinc/75/66/10/1137756610.db2.gz CAQJBVMAPAHOEY-UHFFFAOYSA-N 1 2 342.464 3.594 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000879727116 1137756611 /nfs/dbraw/zinc/75/66/11/1137756611.db2.gz CAQJBVMAPAHOEY-UHFFFAOYSA-N 1 2 342.464 3.594 20 0 EHADLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3ccccc3OC)CC2)s1 ZINC000879728648 1137756707 /nfs/dbraw/zinc/75/67/07/1137756707.db2.gz VIBBVFFCPARSOM-AWEZNQCLSA-N 1 2 347.484 3.715 20 0 EHADLO CCOc1nnc(C[N@H+]2CCC[C@H](c3ccccc3OC)CC2)s1 ZINC000879728648 1137756708 /nfs/dbraw/zinc/75/67/08/1137756708.db2.gz VIBBVFFCPARSOM-AWEZNQCLSA-N 1 2 347.484 3.715 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@H+](Cc2noc(C(C)C)n2)CC1 ZINC000879727474 1137756839 /nfs/dbraw/zinc/75/68/39/1137756839.db2.gz HESASEFSAGMAHG-HNNXBMFYSA-N 1 2 329.444 3.971 20 0 EHADLO COc1ccccc1[C@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)CC1 ZINC000879727474 1137756840 /nfs/dbraw/zinc/75/68/40/1137756840.db2.gz HESASEFSAGMAHG-HNNXBMFYSA-N 1 2 329.444 3.971 20 0 EHADLO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000879742941 1137757335 /nfs/dbraw/zinc/75/73/35/1137757335.db2.gz UOLZDCZCNNIHGI-OAHLLOKOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000879742941 1137757336 /nfs/dbraw/zinc/75/73/36/1137757336.db2.gz UOLZDCZCNNIHGI-OAHLLOKOSA-N 1 2 349.272 3.617 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999878 1137764065 /nfs/dbraw/zinc/76/40/65/1137764065.db2.gz CGFIHEQTHDXXAI-MLGOLLRUSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999878 1137764066 /nfs/dbraw/zinc/76/40/66/1137764066.db2.gz CGFIHEQTHDXXAI-MLGOLLRUSA-N 1 2 339.361 3.996 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000880001471 1137764441 /nfs/dbraw/zinc/76/44/41/1137764441.db2.gz PTUNWNYLGSSZPT-CQSZACIVSA-N 1 2 347.287 3.789 20 0 EHADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000880001471 1137764442 /nfs/dbraw/zinc/76/44/42/1137764442.db2.gz PTUNWNYLGSSZPT-CQSZACIVSA-N 1 2 347.287 3.789 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000023667898 1137765755 /nfs/dbraw/zinc/76/57/55/1137765755.db2.gz RJZHHZGVBCNJEM-SNVBAGLBSA-N 1 2 339.773 3.645 20 0 EHADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000023667898 1137765756 /nfs/dbraw/zinc/76/57/56/1137765756.db2.gz RJZHHZGVBCNJEM-SNVBAGLBSA-N 1 2 339.773 3.645 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nsc3ccccc23)CC[C@@H](C(F)(F)F)O1 ZINC000880062854 1137766858 /nfs/dbraw/zinc/76/68/58/1137766858.db2.gz CBEZJTMHMRZSMO-YGRLFVJLSA-N 1 2 330.375 3.838 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nsc3ccccc23)CC[C@@H](C(F)(F)F)O1 ZINC000880062854 1137766859 /nfs/dbraw/zinc/76/68/59/1137766859.db2.gz CBEZJTMHMRZSMO-YGRLFVJLSA-N 1 2 330.375 3.838 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC000880231988 1137771588 /nfs/dbraw/zinc/77/15/88/1137771588.db2.gz CSHWUNREPIGEHG-KBPBESRZSA-N 1 2 326.843 3.965 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC000880231988 1137771589 /nfs/dbraw/zinc/77/15/89/1137771589.db2.gz CSHWUNREPIGEHG-KBPBESRZSA-N 1 2 326.843 3.965 20 0 EHADLO c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000880275190 1137772604 /nfs/dbraw/zinc/77/26/04/1137772604.db2.gz LJOCEULGXMZYSC-INIZCTEOSA-N 1 2 349.438 3.717 20 0 EHADLO c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000880275190 1137772605 /nfs/dbraw/zinc/77/26/05/1137772605.db2.gz LJOCEULGXMZYSC-INIZCTEOSA-N 1 2 349.438 3.717 20 0 EHADLO COCc1nc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880287959 1137773525 /nfs/dbraw/zinc/77/35/25/1137773525.db2.gz SQXHZNBLGBQAAN-ZDUSSCGKSA-N 1 2 335.835 3.638 20 0 EHADLO COCc1nc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2(C)C)no1 ZINC000880287959 1137773526 /nfs/dbraw/zinc/77/35/26/1137773526.db2.gz SQXHZNBLGBQAAN-ZDUSSCGKSA-N 1 2 335.835 3.638 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000880288107 1137773542 /nfs/dbraw/zinc/77/35/42/1137773542.db2.gz PHDSFTPNQXFXKL-CYBMUJFWSA-N 1 2 333.382 3.993 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000880288107 1137773543 /nfs/dbraw/zinc/77/35/43/1137773543.db2.gz PHDSFTPNQXFXKL-CYBMUJFWSA-N 1 2 333.382 3.993 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323004 1137775352 /nfs/dbraw/zinc/77/53/52/1137775352.db2.gz MUMNPLMUYFEPMJ-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323004 1137775353 /nfs/dbraw/zinc/77/53/53/1137775353.db2.gz MUMNPLMUYFEPMJ-CHWSQXEVSA-N 1 2 349.887 3.921 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880378373 1137777218 /nfs/dbraw/zinc/77/72/18/1137777218.db2.gz SWDHHUKQEZNQNO-CYBMUJFWSA-N 1 2 330.453 3.623 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2ccsc2[C@H]1C ZINC000880378373 1137777219 /nfs/dbraw/zinc/77/72/19/1137777219.db2.gz SWDHHUKQEZNQNO-CYBMUJFWSA-N 1 2 330.453 3.623 20 0 EHADLO CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](CO)c1ccccc1 ZINC000880460484 1137779239 /nfs/dbraw/zinc/77/92/39/1137779239.db2.gz VZUHDNICEDNYDN-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](CO)c1ccccc1 ZINC000880460484 1137779240 /nfs/dbraw/zinc/77/92/40/1137779240.db2.gz VZUHDNICEDNYDN-SFHVURJKSA-N 1 2 337.423 3.601 20 0 EHADLO O=S(=O)(CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12)c1ccccc1 ZINC000880536059 1137780891 /nfs/dbraw/zinc/78/08/91/1137780891.db2.gz IJARQULLMRUVIZ-JXFKEZNVSA-N 1 2 341.476 3.785 20 0 EHADLO O=S(=O)(CCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12)c1ccccc1 ZINC000880536059 1137780892 /nfs/dbraw/zinc/78/08/92/1137780892.db2.gz IJARQULLMRUVIZ-JXFKEZNVSA-N 1 2 341.476 3.785 20 0 EHADLO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH2+]Cc2cnc[nH]2)C1(C)C ZINC000880603238 1137781993 /nfs/dbraw/zinc/78/19/93/1137781993.db2.gz MMYNJXVFGCOGDX-INIZCTEOSA-N 1 2 342.443 3.774 20 0 EHADLO COC[C@H](C)[N@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000626133065 1137782562 /nfs/dbraw/zinc/78/25/62/1137782562.db2.gz GRSSAGVITHCJMW-YJBOKZPZSA-N 1 2 342.487 3.558 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000626133065 1137782563 /nfs/dbraw/zinc/78/25/63/1137782563.db2.gz GRSSAGVITHCJMW-YJBOKZPZSA-N 1 2 342.487 3.558 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135425 1137795961 /nfs/dbraw/zinc/79/59/61/1137795961.db2.gz ZKMHJTAZCNOTQY-PBHICJAKSA-N 1 2 329.444 3.717 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626135425 1137795962 /nfs/dbraw/zinc/79/59/62/1137795962.db2.gz ZKMHJTAZCNOTQY-PBHICJAKSA-N 1 2 329.444 3.717 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2(C)C)cc1 ZINC000881660614 1137813203 /nfs/dbraw/zinc/81/32/03/1137813203.db2.gz SJERKLAIVYKJLE-IEBWSBKVSA-N 1 2 337.467 3.549 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882574718 1137829771 /nfs/dbraw/zinc/82/97/71/1137829771.db2.gz JSFCCRQGPGDYOR-RNCFNFMXSA-N 1 2 329.297 3.800 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000882574718 1137829772 /nfs/dbraw/zinc/82/97/72/1137829772.db2.gz JSFCCRQGPGDYOR-RNCFNFMXSA-N 1 2 329.297 3.800 20 0 EHADLO CC(C)(CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000882870729 1137836137 /nfs/dbraw/zinc/83/61/37/1137836137.db2.gz PLDYXACURXYAQP-OAHLLOKOSA-N 1 2 335.398 3.812 20 0 EHADLO CC(C)c1nc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000882872574 1137836331 /nfs/dbraw/zinc/83/63/31/1137836331.db2.gz IBJJXAVRSKEVCY-HNNXBMFYSA-N 1 2 340.452 3.634 20 0 EHADLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000130668337 1137840636 /nfs/dbraw/zinc/84/06/36/1137840636.db2.gz HEUAJBNGUZVCJD-MRXNPFEDSA-N 1 2 343.446 3.908 20 0 EHADLO CC(C)CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000130668337 1137840637 /nfs/dbraw/zinc/84/06/37/1137840637.db2.gz HEUAJBNGUZVCJD-MRXNPFEDSA-N 1 2 343.446 3.908 20 0 EHADLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(Br)cc1 ZINC000883313565 1137854107 /nfs/dbraw/zinc/85/41/07/1137854107.db2.gz HIQGHEVQAAWAPO-GFCCVEGCSA-N 1 2 332.245 3.969 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1C ZINC000131632773 1137857538 /nfs/dbraw/zinc/85/75/38/1137857538.db2.gz RRMLTMIIBBUGHN-UNEWFSDZSA-N 1 2 331.460 3.570 20 0 EHADLO OCCCCOc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883381282 1137858296 /nfs/dbraw/zinc/85/82/96/1137858296.db2.gz KHLCGLWLZHBTIR-CTNGQTDRSA-N 1 2 343.442 3.953 20 0 EHADLO C[C@@H]([NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cscn1 ZINC000883385204 1137858679 /nfs/dbraw/zinc/85/86/79/1137858679.db2.gz HIJCZERSMFIBIN-UKRRQHHQSA-N 1 2 330.453 3.867 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001137188656 1137859312 /nfs/dbraw/zinc/85/93/12/1137859312.db2.gz JHUXKSGONQYWPZ-UHFFFAOYSA-N 1 2 325.799 3.547 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001137188656 1137859313 /nfs/dbraw/zinc/85/93/13/1137859313.db2.gz JHUXKSGONQYWPZ-UHFFFAOYSA-N 1 2 325.799 3.547 20 0 EHADLO Cc1ccc2[nH+]c(NCc3ccc(C(=O)N4CCCC4)cc3)[nH]c2c1 ZINC000883409446 1137860089 /nfs/dbraw/zinc/86/00/89/1137860089.db2.gz XEIJIYASABLHSO-UHFFFAOYSA-N 1 2 334.423 3.719 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000103300395 1137875824 /nfs/dbraw/zinc/87/58/24/1137875824.db2.gz JRMBFXQXFPJKEZ-SFHVURJKSA-N 1 2 326.444 3.627 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000105900672 1137882255 /nfs/dbraw/zinc/88/22/55/1137882255.db2.gz UKJYGWVSQBRPOS-LSDHHAIUSA-N 1 2 346.862 3.509 20 0 EHADLO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)c1 ZINC000105900672 1137882256 /nfs/dbraw/zinc/88/22/56/1137882256.db2.gz UKJYGWVSQBRPOS-LSDHHAIUSA-N 1 2 346.862 3.509 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCC2=CCCCC2)s1 ZINC000106876839 1137884881 /nfs/dbraw/zinc/88/48/81/1137884881.db2.gz OIRRKXSABXFJJY-AWEZNQCLSA-N 1 2 335.517 3.759 20 0 EHADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCC2=CCCCC2)s1 ZINC000106876839 1137884882 /nfs/dbraw/zinc/88/48/82/1137884882.db2.gz OIRRKXSABXFJJY-AWEZNQCLSA-N 1 2 335.517 3.759 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(C)o1 ZINC000107179428 1137885775 /nfs/dbraw/zinc/88/57/75/1137885775.db2.gz MKVVYFZLUZDFSW-UHFFFAOYSA-N 1 2 327.428 3.602 20 0 EHADLO CCn1cc(C[N@H+](CC)[C@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000883998708 1137889849 /nfs/dbraw/zinc/88/98/49/1137889849.db2.gz OTGVMVPJELVFPE-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO CCn1cc(C[N@@H+](CC)[C@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000883998708 1137889850 /nfs/dbraw/zinc/88/98/50/1137889850.db2.gz OTGVMVPJELVFPE-GFCCVEGCSA-N 1 2 326.366 3.900 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)cs1 ZINC000111376129 1137904305 /nfs/dbraw/zinc/90/43/05/1137904305.db2.gz XPWXDKPQEIGZGJ-ZIAGYGMSSA-N 1 2 343.496 3.724 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cs1 ZINC000111375860 1137904327 /nfs/dbraw/zinc/90/43/27/1137904327.db2.gz UXHRZPMKAHNWDJ-IHRRRGAJSA-N 1 2 343.496 3.722 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000111377033 1137904557 /nfs/dbraw/zinc/90/45/57/1137904557.db2.gz BOHJWVCUSPQFSC-CHWSQXEVSA-N 1 2 347.484 3.782 20 0 EHADLO CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)c1cccs1 ZINC000114605083 1137917958 /nfs/dbraw/zinc/91/79/58/1137917958.db2.gz CZQURVHIBDRHFD-UHFFFAOYSA-N 1 2 346.500 3.612 20 0 EHADLO OCCC[N@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000114722804 1137918632 /nfs/dbraw/zinc/91/86/32/1137918632.db2.gz OPOJTACQPPPUHN-IBGZPJMESA-N 1 2 349.434 3.609 20 0 EHADLO OCCC[N@@H+](Cc1noc(-c2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000114722804 1137918633 /nfs/dbraw/zinc/91/86/33/1137918633.db2.gz OPOJTACQPPPUHN-IBGZPJMESA-N 1 2 349.434 3.609 20 0 EHADLO CCc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cnn1C(CC)CC ZINC000331806776 1137921555 /nfs/dbraw/zinc/92/15/55/1137921555.db2.gz KQCRIFJWWNAKGQ-CQSZACIVSA-N 1 2 343.475 3.550 20 0 EHADLO COC(=O)c1ccc(F)c(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1 ZINC000119254638 1137939661 /nfs/dbraw/zinc/93/96/61/1137939661.db2.gz YUBLIIHUGPTMSQ-UHFFFAOYSA-N 1 2 348.443 3.936 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000120458750 1137949891 /nfs/dbraw/zinc/94/98/91/1137949891.db2.gz KREYGWRURXSJCU-LJQANCHMSA-N 1 2 348.512 3.908 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000120458750 1137949892 /nfs/dbraw/zinc/94/98/92/1137949892.db2.gz KREYGWRURXSJCU-LJQANCHMSA-N 1 2 348.512 3.908 20 0 EHADLO COc1ccc(NC(=O)Nc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC001202720782 1137951275 /nfs/dbraw/zinc/95/12/75/1137951275.db2.gz WDYVTNVNOMJFOG-UHFFFAOYSA-N 1 2 326.400 3.643 20 0 EHADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000120810929 1137952531 /nfs/dbraw/zinc/95/25/31/1137952531.db2.gz VWWKTWBJJCVODO-HUUCEWRRSA-N 1 2 348.454 3.918 20 0 EHADLO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@H]1CCCCO1 ZINC000121063083 1137954748 /nfs/dbraw/zinc/95/47/48/1137954748.db2.gz RULBEEDAZDNEHG-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@H]1CCCCO1 ZINC000121063083 1137954749 /nfs/dbraw/zinc/95/47/49/1137954749.db2.gz RULBEEDAZDNEHG-CQSZACIVSA-N 1 2 347.484 3.678 20 0 EHADLO COc1ccc(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC001202725697 1137955687 /nfs/dbraw/zinc/95/56/87/1137955687.db2.gz OIIGZQBLRFXWTP-UHFFFAOYSA-N 1 2 336.395 3.892 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333178747 1137957436 /nfs/dbraw/zinc/95/74/36/1137957436.db2.gz RUGVIFAGACCFPC-USXIJHARSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333178747 1137957437 /nfs/dbraw/zinc/95/74/37/1137957437.db2.gz RUGVIFAGACCFPC-USXIJHARSA-N 1 2 330.476 3.658 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CCC2(CC2)CC1 ZINC000333189280 1137957751 /nfs/dbraw/zinc/95/77/51/1137957751.db2.gz VGFBYQCDTHJWLQ-UHFFFAOYSA-N 1 2 348.516 3.973 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885221457 1137989198 /nfs/dbraw/zinc/98/91/98/1137989198.db2.gz OJNGILKQQGTHNU-HSALFYBXSA-N 1 2 349.478 3.969 20 0 EHADLO Cc1ccc2nc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)ccc2c1 ZINC001137217315 1137989528 /nfs/dbraw/zinc/98/95/28/1137989528.db2.gz SILCDHXMPLQJMD-UHFFFAOYSA-N 1 2 330.435 3.769 20 0 EHADLO Cc1ccc2nc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)ccc2c1 ZINC001137217315 1137989530 /nfs/dbraw/zinc/98/95/30/1137989530.db2.gz SILCDHXMPLQJMD-UHFFFAOYSA-N 1 2 330.435 3.769 20 0 EHADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137219750 1138020435 /nfs/dbraw/zinc/02/04/35/1138020435.db2.gz MYTPUGCXOUPLAF-UHFFFAOYSA-N 1 2 344.764 3.777 20 0 EHADLO COc1cc(Br)c(C[NH2+]Cc2cc(C)co2)cc1OC ZINC000885970495 1138029643 /nfs/dbraw/zinc/02/96/43/1138029643.db2.gz AQHSLOLPQDHOKM-UHFFFAOYSA-N 1 2 340.217 3.658 20 0 EHADLO COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c(F)c1OC ZINC000886054507 1138036115 /nfs/dbraw/zinc/03/61/15/1138036115.db2.gz FOBSMIIOIRYYKK-UHFFFAOYSA-N 1 2 348.418 3.705 20 0 EHADLO CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000056664773 1138058393 /nfs/dbraw/zinc/05/83/93/1138058393.db2.gz OEJKQFYRQOXJMW-GJZGRUSLSA-N 1 2 340.427 3.811 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000886265375 1138062536 /nfs/dbraw/zinc/06/25/36/1138062536.db2.gz HGAGMNZQFMJDNO-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO Cn1nc(-c2ccccc2)c(C[NH2+]Cc2cc(C3CC3)no2)c1Cl ZINC000886272041 1138063295 /nfs/dbraw/zinc/06/32/95/1138063295.db2.gz FNQJGTCIIFCYRV-UHFFFAOYSA-N 1 2 342.830 3.896 20 0 EHADLO Cc1cc(C)cc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC000886304322 1138066476 /nfs/dbraw/zinc/06/64/76/1138066476.db2.gz UVENJMRXMXWHEJ-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2scnc2C)cc1 ZINC000066563877 1138076307 /nfs/dbraw/zinc/07/63/07/1138076307.db2.gz UXXVTCZZYJEVSE-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2scnc2C)cc1 ZINC000066563877 1138076309 /nfs/dbraw/zinc/07/63/09/1138076309.db2.gz UXXVTCZZYJEVSE-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO c1csc(C[N@H+](Cc2cn3ccccc3n2)C[C@@H]2CCCO2)c1 ZINC000066696054 1138077172 /nfs/dbraw/zinc/07/71/72/1138077172.db2.gz JFJZUPLABHOCRM-INIZCTEOSA-N 1 2 327.453 3.577 20 0 EHADLO c1csc(C[N@@H+](Cc2cn3ccccc3n2)C[C@@H]2CCCO2)c1 ZINC000066696054 1138077174 /nfs/dbraw/zinc/07/71/74/1138077174.db2.gz JFJZUPLABHOCRM-INIZCTEOSA-N 1 2 327.453 3.577 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)CCCCCc3cccs3)sc2C1 ZINC000067133656 1138079861 /nfs/dbraw/zinc/07/98/61/1138079861.db2.gz XAYXAQUQNZSCQH-UHFFFAOYSA-N 1 2 349.525 3.934 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)CCCCCc3cccs3)sc2C1 ZINC000067133656 1138079863 /nfs/dbraw/zinc/07/98/63/1138079863.db2.gz XAYXAQUQNZSCQH-UHFFFAOYSA-N 1 2 349.525 3.934 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000886698806 1138118302 /nfs/dbraw/zinc/11/83/02/1138118302.db2.gz NGPQSDONZQSUBL-CYBMUJFWSA-N 1 2 334.489 3.587 20 0 EHADLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000886698806 1138118303 /nfs/dbraw/zinc/11/83/03/1138118303.db2.gz NGPQSDONZQSUBL-CYBMUJFWSA-N 1 2 334.489 3.587 20 0 EHADLO Cc1sc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c(C)c1C ZINC000075996913 1138129736 /nfs/dbraw/zinc/12/97/36/1138129736.db2.gz RWEQHFNGKQCXOW-UHFFFAOYSA-N 1 2 334.407 3.886 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000886755311 1138132815 /nfs/dbraw/zinc/13/28/15/1138132815.db2.gz FAYILHJRBPIPST-QGZVFWFLSA-N 1 2 334.464 3.828 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000080015914 1138160120 /nfs/dbraw/zinc/16/01/20/1138160120.db2.gz BVTQODAHMNPJGX-MAUKXSAKSA-N 1 2 326.444 3.502 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080908945 1138164589 /nfs/dbraw/zinc/16/45/89/1138164589.db2.gz UMOMJLWPHRCNBQ-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080908945 1138164591 /nfs/dbraw/zinc/16/45/91/1138164591.db2.gz UMOMJLWPHRCNBQ-CYBMUJFWSA-N 1 2 347.846 3.593 20 0 EHADLO CCCCc1nc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000083952810 1138176874 /nfs/dbraw/zinc/17/68/74/1138176874.db2.gz GZHPTGGTYDPRDN-QHCPKHFHSA-N 1 2 347.509 3.891 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cs1 ZINC000084135401 1138177766 /nfs/dbraw/zinc/17/77/66/1138177766.db2.gz JNYIRZZKZZCZGI-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cs1 ZINC000084135401 1138177767 /nfs/dbraw/zinc/17/77/67/1138177767.db2.gz JNYIRZZKZZCZGI-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1nc(Cc2ccccc2)no1)CC1CC1 ZINC000084137471 1138177800 /nfs/dbraw/zinc/17/78/00/1138177800.db2.gz KDEAEJGNROXYFW-UHFFFAOYSA-N 1 2 339.361 3.825 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1nc(Cc2ccccc2)no1)CC1CC1 ZINC000084137471 1138177801 /nfs/dbraw/zinc/17/78/01/1138177801.db2.gz KDEAEJGNROXYFW-UHFFFAOYSA-N 1 2 339.361 3.825 20 0 EHADLO CCOc1ccccc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100811 1138210854 /nfs/dbraw/zinc/21/08/54/1138210854.db2.gz RVNCOKUCIKCXBS-UHFFFAOYSA-N 1 2 326.387 3.534 20 0 EHADLO CCOc1ccccc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100811 1138210856 /nfs/dbraw/zinc/21/08/56/1138210856.db2.gz RVNCOKUCIKCXBS-UHFFFAOYSA-N 1 2 326.387 3.534 20 0 EHADLO FC(F)CN1CCC[N@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000091084874 1138216069 /nfs/dbraw/zinc/21/60/69/1138216069.db2.gz NBSAKKPMRONFCD-UHFFFAOYSA-N 1 2 343.468 3.644 20 0 EHADLO FC(F)CN1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000091084874 1138216071 /nfs/dbraw/zinc/21/60/71/1138216071.db2.gz NBSAKKPMRONFCD-UHFFFAOYSA-N 1 2 343.468 3.644 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703523 1138220662 /nfs/dbraw/zinc/22/06/62/1138220662.db2.gz VPCLXLMYFLGEIP-QGZVFWFLSA-N 1 2 337.467 3.574 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2ccccn2)C2CC2)cc1 ZINC000091703523 1138220665 /nfs/dbraw/zinc/22/06/65/1138220665.db2.gz VPCLXLMYFLGEIP-QGZVFWFLSA-N 1 2 337.467 3.574 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(CO)o1 ZINC000092486031 1138228822 /nfs/dbraw/zinc/22/88/22/1138228822.db2.gz FVTFSFURLIXIAC-UHFFFAOYSA-N 1 2 339.439 3.515 20 0 EHADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(CO)o1 ZINC000092486031 1138228823 /nfs/dbraw/zinc/22/88/23/1138228823.db2.gz FVTFSFURLIXIAC-UHFFFAOYSA-N 1 2 339.439 3.515 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000093302942 1138235628 /nfs/dbraw/zinc/23/56/28/1138235628.db2.gz MTFQEFYXNSFAQK-LSDHHAIUSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000093302942 1138235630 /nfs/dbraw/zinc/23/56/30/1138235630.db2.gz MTFQEFYXNSFAQK-LSDHHAIUSA-N 1 2 349.500 3.657 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000093865574 1138242139 /nfs/dbraw/zinc/24/21/39/1138242139.db2.gz LCJKTGVIEGELAL-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000093865574 1138242141 /nfs/dbraw/zinc/24/21/41/1138242141.db2.gz LCJKTGVIEGELAL-OAHLLOKOSA-N 1 2 325.380 3.923 20 0 EHADLO CCCCOc1ccc(-c2cc(Cn3cc[nH+]c3)on2)cc1OC ZINC000887268179 1138251956 /nfs/dbraw/zinc/25/19/56/1138251956.db2.gz DXQDSPVYNLNNJF-UHFFFAOYSA-N 1 2 327.384 3.774 20 0 EHADLO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC000348419356 1138296867 /nfs/dbraw/zinc/29/68/67/1138296867.db2.gz VXVFTJJSHCBTAV-INIZCTEOSA-N 1 2 349.862 3.839 20 0 EHADLO Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000124905375 1138297000 /nfs/dbraw/zinc/29/70/00/1138297000.db2.gz ADDPTCJLFUTANZ-XIKOKIGWSA-N 1 2 340.402 3.535 20 0 EHADLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000125755757 1138315843 /nfs/dbraw/zinc/31/58/43/1138315843.db2.gz SLERHQUTQWDFMC-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000125755757 1138315845 /nfs/dbraw/zinc/31/58/45/1138315845.db2.gz SLERHQUTQWDFMC-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000126212465 1138326475 /nfs/dbraw/zinc/32/64/75/1138326475.db2.gz UXBLNSFFZFNIHA-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CCc1cccc(C)c1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127087817 1138346334 /nfs/dbraw/zinc/34/63/34/1138346334.db2.gz ORGVNQSZOVAJTN-YOEHRIQHSA-N 1 2 326.444 3.869 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000127238623 1138350642 /nfs/dbraw/zinc/35/06/42/1138350642.db2.gz BXZDJOPPPXYYSN-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1cn2c([nH+]1)CCCC2 ZINC000263745853 1138355166 /nfs/dbraw/zinc/35/51/66/1138355166.db2.gz FRJPABMDPAONMF-RMKNXTFCSA-N 1 2 349.356 3.568 20 0 EHADLO CC(C)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128461857 1138390405 /nfs/dbraw/zinc/39/04/05/1138390405.db2.gz CDWRKMIAMXLMJU-RDJZCZTQSA-N 1 2 342.443 3.785 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263931921 1138393776 /nfs/dbraw/zinc/39/37/76/1138393776.db2.gz YZVVTTSQYWGUFL-ZDUSSCGKSA-N 1 2 347.846 3.870 20 0 EHADLO O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263956578 1138397571 /nfs/dbraw/zinc/39/75/71/1138397571.db2.gz UBNJZVKKWBWPSE-AWEZNQCLSA-N 1 2 329.469 3.760 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N(C)CC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000264258503 1138456646 /nfs/dbraw/zinc/45/66/46/1138456646.db2.gz QSYSOBFNSXZEMT-HNNXBMFYSA-N 1 2 333.476 3.590 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337064974 1138459391 /nfs/dbraw/zinc/45/93/91/1138459391.db2.gz ZNKOGLKEEBBOGJ-HRCADAONSA-N 1 2 332.492 3.543 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000887580071 1138470403 /nfs/dbraw/zinc/47/04/03/1138470403.db2.gz KMEACMSIXOJDOH-SZMVWBNQSA-N 1 2 338.455 3.865 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337133218 1138474522 /nfs/dbraw/zinc/47/45/22/1138474522.db2.gz CDADUKVKPMDJTB-JKSUJKDBSA-N 1 2 331.504 3.998 20 0 EHADLO CC1(C)CCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337134610 1138475267 /nfs/dbraw/zinc/47/52/67/1138475267.db2.gz CSUMHECXGQOTNO-DOTOQJQBSA-N 1 2 329.488 3.752 20 0 EHADLO c1nc(C[NH+]2CCC(COc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000337142313 1138477834 /nfs/dbraw/zinc/47/78/34/1138477834.db2.gz TZCCTZSTHPNFLO-UHFFFAOYSA-N 1 2 348.450 3.558 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000337145583 1138479254 /nfs/dbraw/zinc/47/92/54/1138479254.db2.gz XLJVLBQQQJLBHD-QGZVFWFLSA-N 1 2 332.469 3.718 20 0 EHADLO COc1ncc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c(C)n1 ZINC000337212987 1138496653 /nfs/dbraw/zinc/49/66/53/1138496653.db2.gz WADJNYRRZGHVLX-UHFFFAOYSA-N 1 2 345.393 3.751 20 0 EHADLO Cc1cccc(C)c1OCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000337249758 1138508463 /nfs/dbraw/zinc/50/84/63/1138508463.db2.gz MFAKCNVWVCOVCG-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000337314910 1138529845 /nfs/dbraw/zinc/52/98/45/1138529845.db2.gz WTPHWFLEBMTFRM-QGZVFWFLSA-N 1 2 328.460 3.720 20 0 EHADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000337314910 1138529847 /nfs/dbraw/zinc/52/98/47/1138529847.db2.gz WTPHWFLEBMTFRM-QGZVFWFLSA-N 1 2 328.460 3.720 20 0 EHADLO OC[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccsc1 ZINC000337328507 1138534879 /nfs/dbraw/zinc/53/48/79/1138534879.db2.gz YUADBAJQDVLFJR-GFCCVEGCSA-N 1 2 348.212 3.612 20 0 EHADLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)c1c[nH]c3ncccc13)CC2 ZINC000337390879 1138554138 /nfs/dbraw/zinc/55/41/38/1138554138.db2.gz HJXGTNUHFFISFK-ZDUSSCGKSA-N 1 2 337.398 3.640 20 0 EHADLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)c1c[nH]c3ncccc13)CC2 ZINC000337390879 1138554140 /nfs/dbraw/zinc/55/41/40/1138554140.db2.gz HJXGTNUHFFISFK-ZDUSSCGKSA-N 1 2 337.398 3.640 20 0 EHADLO O=C(c1csc2ccccc12)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337566176 1138607169 /nfs/dbraw/zinc/60/71/69/1138607169.db2.gz BIIVLDXMGWILRD-KRWDZBQOSA-N 1 2 340.423 3.827 20 0 EHADLO CC(C)[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(F)cc1 ZINC000337599266 1138617397 /nfs/dbraw/zinc/61/73/97/1138617397.db2.gz IDFHNMQFVFMKHV-SFHVURJKSA-N 1 2 338.386 3.534 20 0 EHADLO Cc1ccc(CNC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000887675799 1138657564 /nfs/dbraw/zinc/65/75/64/1138657564.db2.gz ISLZGRJDCLTBLL-SHTZXODSSA-N 1 2 344.484 3.674 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)s1 ZINC000348461549 1138670151 /nfs/dbraw/zinc/67/01/51/1138670151.db2.gz CVVYAUINWFJYTA-CQSZACIVSA-N 1 2 339.464 3.912 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000134495453 1138691711 /nfs/dbraw/zinc/69/17/11/1138691711.db2.gz SBLUSIBOIBHMEO-OAQYLSRUSA-N 1 2 349.478 3.705 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000134495453 1138691714 /nfs/dbraw/zinc/69/17/14/1138691714.db2.gz SBLUSIBOIBHMEO-OAQYLSRUSA-N 1 2 349.478 3.705 20 0 EHADLO CC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337949359 1138705433 /nfs/dbraw/zinc/70/54/33/1138705433.db2.gz YVRXPUHSAPXTQC-JYJNAYRXSA-N 1 2 333.476 3.558 20 0 EHADLO COc1ccc(Br)c(C[NH2+][C@H](C)c2ccncc2F)c1 ZINC000337951613 1138706027 /nfs/dbraw/zinc/70/60/27/1138706027.db2.gz ZMVFUUYFYOQZHM-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134810740 1138706667 /nfs/dbraw/zinc/70/66/67/1138706667.db2.gz GPUPBGZQZDYRNY-CVEARBPZSA-N 1 2 347.434 3.594 20 0 EHADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000134810740 1138706671 /nfs/dbraw/zinc/70/66/71/1138706671.db2.gz GPUPBGZQZDYRNY-CVEARBPZSA-N 1 2 347.434 3.594 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000337977709 1138715026 /nfs/dbraw/zinc/71/50/26/1138715026.db2.gz KYULSSRONWFABG-LRDDRELGSA-N 1 2 333.407 3.816 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000337977709 1138715030 /nfs/dbraw/zinc/71/50/30/1138715030.db2.gz KYULSSRONWFABG-LRDDRELGSA-N 1 2 333.407 3.816 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061970 1138715881 /nfs/dbraw/zinc/71/58/81/1138715881.db2.gz SVQXGIVDKIXIMX-UONOGXRCSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000265061970 1138715884 /nfs/dbraw/zinc/71/58/84/1138715884.db2.gz SVQXGIVDKIXIMX-UONOGXRCSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cc(C(=O)C[N@H+](C)CCc2nccs2)c(C)n1CCC(C)C ZINC000337994082 1138718850 /nfs/dbraw/zinc/71/88/50/1138718850.db2.gz DFCHHQCRYGYEML-UHFFFAOYSA-N 1 2 347.528 3.965 20 0 EHADLO Cc1cc(C(=O)C[N@@H+](C)CCc2nccs2)c(C)n1CCC(C)C ZINC000337994082 1138718854 /nfs/dbraw/zinc/71/88/54/1138718854.db2.gz DFCHHQCRYGYEML-UHFFFAOYSA-N 1 2 347.528 3.965 20 0 EHADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCc2ccccc2C1 ZINC000265142858 1138744195 /nfs/dbraw/zinc/74/41/95/1138744195.db2.gz SESUKVCHUZLOFM-OAQYLSRUSA-N 1 2 345.446 3.561 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000265169646 1138753938 /nfs/dbraw/zinc/75/39/38/1138753938.db2.gz AGQUXZXYYBIBRQ-CVEARBPZSA-N 1 2 326.444 3.677 20 0 EHADLO O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000135601309 1138761757 /nfs/dbraw/zinc/76/17/57/1138761757.db2.gz VTLRVFXLTHJOPR-NRFANRHFSA-N 1 2 345.446 3.683 20 0 EHADLO CCCC(C)(C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265273650 1138791363 /nfs/dbraw/zinc/79/13/63/1138791363.db2.gz LFGSYGXJUUXPHF-OAHLLOKOSA-N 1 2 333.476 3.780 20 0 EHADLO O=C(NCCC1=CCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338235706 1138797140 /nfs/dbraw/zinc/79/71/40/1138797140.db2.gz ROUGIIOJHNLZFZ-UHFFFAOYSA-N 1 2 342.418 3.701 20 0 EHADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)n1 ZINC000265310155 1138804553 /nfs/dbraw/zinc/80/45/53/1138804553.db2.gz DYRLIVUDAJOOMY-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO CC(C)n1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)n1 ZINC000265310155 1138804556 /nfs/dbraw/zinc/80/45/56/1138804556.db2.gz DYRLIVUDAJOOMY-KRWDZBQOSA-N 1 2 327.428 3.572 20 0 EHADLO O=C([C@H]1CCc2ccccc21)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338261581 1138805014 /nfs/dbraw/zinc/80/50/14/1138805014.db2.gz OFRNVPOVFCWCSZ-RBUKOAKNSA-N 1 2 340.854 3.543 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000338284446 1138815512 /nfs/dbraw/zinc/81/55/12/1138815512.db2.gz SYYQNOKZPVHQRS-QGZVFWFLSA-N 1 2 327.449 3.595 20 0 EHADLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CCO1 ZINC000338284446 1138815515 /nfs/dbraw/zinc/81/55/15/1138815515.db2.gz SYYQNOKZPVHQRS-QGZVFWFLSA-N 1 2 327.449 3.595 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000338287920 1138817689 /nfs/dbraw/zinc/81/76/89/1138817689.db2.gz OGHMSJCBXIMTHI-ZDUSSCGKSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000338287920 1138817691 /nfs/dbraw/zinc/81/76/91/1138817691.db2.gz OGHMSJCBXIMTHI-ZDUSSCGKSA-N 1 2 346.862 3.724 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000338291785 1138818890 /nfs/dbraw/zinc/81/88/90/1138818890.db2.gz NJWUIXNCJRXWNH-ZDUSSCGKSA-N 1 2 347.459 3.908 20 0 EHADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCOCC2(CCC2)C1 ZINC000338291785 1138818897 /nfs/dbraw/zinc/81/88/97/1138818897.db2.gz NJWUIXNCJRXWNH-ZDUSSCGKSA-N 1 2 347.459 3.908 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000338294803 1138821413 /nfs/dbraw/zinc/82/14/13/1138821413.db2.gz ZAAXFWXWKPLZII-HXUWFJFHSA-N 1 2 348.450 3.882 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@@H+]2CCCOc2cccc(Cl)c2)[nH]1 ZINC000338334311 1138838745 /nfs/dbraw/zinc/83/87/45/1138838745.db2.gz WRBZEPJZXLFOGG-MRXNPFEDSA-N 1 2 334.851 3.763 20 0 EHADLO Cc1nnc([C@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)[nH]1 ZINC000338334311 1138838747 /nfs/dbraw/zinc/83/87/47/1138838747.db2.gz WRBZEPJZXLFOGG-MRXNPFEDSA-N 1 2 334.851 3.763 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)CC12CCC2 ZINC000338346086 1138844745 /nfs/dbraw/zinc/84/47/45/1138844745.db2.gz GXBCWJZCZNAHPQ-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)CC12CCC2 ZINC000338346086 1138844748 /nfs/dbraw/zinc/84/47/48/1138844748.db2.gz GXBCWJZCZNAHPQ-GFCCVEGCSA-N 1 2 341.333 3.884 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000338392526 1138884769 /nfs/dbraw/zinc/88/47/69/1138884769.db2.gz GRQFXYXOKBTJJD-KRWDZBQOSA-N 1 2 334.847 3.941 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000338392526 1138884776 /nfs/dbraw/zinc/88/47/76/1138884776.db2.gz GRQFXYXOKBTJJD-KRWDZBQOSA-N 1 2 334.847 3.941 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000338412151 1138900835 /nfs/dbraw/zinc/90/08/35/1138900835.db2.gz OZBXFKPSQPJABV-CQSZACIVSA-N 1 2 334.847 3.893 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000338412151 1138900837 /nfs/dbraw/zinc/90/08/37/1138900837.db2.gz OZBXFKPSQPJABV-CQSZACIVSA-N 1 2 334.847 3.893 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887801893 1138927608 /nfs/dbraw/zinc/92/76/08/1138927608.db2.gz YIPKDMLMPILQQR-UHFFFAOYSA-N 1 2 348.406 3.684 20 0 EHADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)nc1C ZINC000348489448 1138935481 /nfs/dbraw/zinc/93/54/81/1138935481.db2.gz HAIKKQQIFKJOPU-SNVBAGLBSA-N 1 2 340.395 3.757 20 0 EHADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000338487003 1138937319 /nfs/dbraw/zinc/93/73/19/1138937319.db2.gz TVVFQBJDFMDCOD-UHFFFAOYSA-N 1 2 348.450 3.797 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150867116 1138989101 /nfs/dbraw/zinc/98/91/01/1138989101.db2.gz SWVLDKIVFHHTKA-CABCVRRESA-N 1 2 349.438 3.638 20 0 EHADLO C[C@H](CCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151602836 1139046921 /nfs/dbraw/zinc/04/69/21/1139046921.db2.gz GEDKIFQXIJVTAY-ZIFCJYIRSA-N 1 2 325.456 3.877 20 0 EHADLO O=C(CCCCCc1cccs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152601866 1139099341 /nfs/dbraw/zinc/09/93/41/1139099341.db2.gz RRUXKZWRENUXOU-MRXNPFEDSA-N 1 2 343.496 3.641 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000153130159 1139123314 /nfs/dbraw/zinc/12/33/14/1139123314.db2.gz RJJXPFLRKZHSTR-IAQYHMDHSA-N 1 2 336.798 3.791 20 0 EHADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000153298404 1139130608 /nfs/dbraw/zinc/13/06/08/1139130608.db2.gz JAMTVQADYQPXTM-UHFFFAOYSA-N 1 2 344.405 3.668 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)[nH]1 ZINC000153400189 1139134770 /nfs/dbraw/zinc/13/47/70/1139134770.db2.gz OGSGZSIXPYAECP-KRWDZBQOSA-N 1 2 331.847 3.707 20 0 EHADLO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)[nH]1 ZINC000153400189 1139134772 /nfs/dbraw/zinc/13/47/72/1139134772.db2.gz OGSGZSIXPYAECP-KRWDZBQOSA-N 1 2 331.847 3.707 20 0 EHADLO CCN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H](C)C(C)C ZINC000889561330 1139234346 /nfs/dbraw/zinc/23/43/46/1139234346.db2.gz IGBIQSYQPXFSPN-ULQDDVLXSA-N 1 2 332.492 3.881 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)=C1CCC1 ZINC000826657252 1139253667 /nfs/dbraw/zinc/25/36/67/1139253667.db2.gz GJIWHBKSTWPSGZ-UHFFFAOYSA-N 1 2 327.472 3.647 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[C@H]1C1CCC1 ZINC000890262586 1139334835 /nfs/dbraw/zinc/33/48/35/1139334835.db2.gz PAEFNIQSJGHLMN-OALUTQOASA-N 1 2 338.455 3.599 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173655554 1139370584 /nfs/dbraw/zinc/37/05/84/1139370584.db2.gz QBQDCMBBHYNOKV-SUMWQHHRSA-N 1 2 346.862 3.546 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173655554 1139370590 /nfs/dbraw/zinc/37/05/90/1139370590.db2.gz QBQDCMBBHYNOKV-SUMWQHHRSA-N 1 2 346.862 3.546 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173851645 1139382490 /nfs/dbraw/zinc/38/24/90/1139382490.db2.gz IMYDICYPLKJRFU-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173851645 1139382499 /nfs/dbraw/zinc/38/24/99/1139382499.db2.gz IMYDICYPLKJRFU-KRWDZBQOSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)s1 ZINC000175246438 1139475566 /nfs/dbraw/zinc/47/55/66/1139475566.db2.gz KZIJFSDHSPTJDT-NXEZZACHSA-N 1 2 341.839 3.922 20 0 EHADLO C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000176385484 1139555333 /nfs/dbraw/zinc/55/53/33/1139555333.db2.gz UHYUNHFCDXVNNH-BEVDRBHNSA-N 1 2 333.435 3.592 20 0 EHADLO C[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000176399298 1139556130 /nfs/dbraw/zinc/55/61/30/1139556130.db2.gz ONTLDYHQZUVVED-IVMQYODDSA-N 1 2 325.456 3.609 20 0 EHADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176984781 1139591095 /nfs/dbraw/zinc/59/10/95/1139591095.db2.gz ZJWWPRPVWOBUTK-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176984781 1139591101 /nfs/dbraw/zinc/59/11/01/1139591101.db2.gz ZJWWPRPVWOBUTK-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO CC(C)C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000178267024 1139682661 /nfs/dbraw/zinc/68/26/61/1139682661.db2.gz QDLVRLHGWYCFBQ-GOSISDBHSA-N 1 2 328.460 3.702 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178537669 1139702615 /nfs/dbraw/zinc/70/26/15/1139702615.db2.gz GUOQSWCGGRAOEM-OAHLLOKOSA-N 1 2 339.464 3.520 20 0 EHADLO Clc1ccc([C@@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000179707052 1139775552 /nfs/dbraw/zinc/77/55/52/1139775552.db2.gz LBQLHTNNNLCPGN-KRWDZBQOSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3cccc4nccn43)CCO2)cc1 ZINC000179707052 1139775556 /nfs/dbraw/zinc/77/55/56/1139775556.db2.gz LBQLHTNNNLCPGN-KRWDZBQOSA-N 1 2 327.815 3.561 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3cccc4nccn43)CCO2)cc1 ZINC000179707052 1139775564 /nfs/dbraw/zinc/77/55/64/1139775564.db2.gz LBQLHTNNNLCPGN-KRWDZBQOSA-N 1 2 327.815 3.561 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000179725881 1139778170 /nfs/dbraw/zinc/77/81/70/1139778170.db2.gz CJYDSMAVNWFKPZ-AWEZNQCLSA-N 1 2 338.402 3.839 20 0 EHADLO CCc1nnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000180078688 1139807015 /nfs/dbraw/zinc/80/70/15/1139807015.db2.gz OIJDXMBYRDTNDW-HNNXBMFYSA-N 1 2 325.334 3.892 20 0 EHADLO Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)s1 ZINC000180556048 1139845461 /nfs/dbraw/zinc/84/54/61/1139845461.db2.gz XNHWSJDYDJQVCX-MRXNPFEDSA-N 1 2 344.484 3.628 20 0 EHADLO Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)s1 ZINC000180556048 1139845472 /nfs/dbraw/zinc/84/54/72/1139845472.db2.gz XNHWSJDYDJQVCX-MRXNPFEDSA-N 1 2 344.484 3.628 20 0 EHADLO C[C@H](c1nc2ccccc2o1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181119644 1139886542 /nfs/dbraw/zinc/88/65/42/1139886542.db2.gz CRYSIEWYCDBGBE-JKSUJKDBSA-N 1 2 336.439 3.663 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000181186985 1139891053 /nfs/dbraw/zinc/89/10/53/1139891053.db2.gz DBBIYOBGMPOTME-JTQLQIEISA-N 1 2 338.333 3.773 20 0 EHADLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000181186985 1139891061 /nfs/dbraw/zinc/89/10/61/1139891061.db2.gz DBBIYOBGMPOTME-JTQLQIEISA-N 1 2 338.333 3.773 20 0 EHADLO c1ccc(N[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181507690 1139911825 /nfs/dbraw/zinc/91/18/25/1139911825.db2.gz URAOEELUSNKRGE-KRWDZBQOSA-N 1 2 337.471 3.567 20 0 EHADLO c1ccc(N[C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181507690 1139911830 /nfs/dbraw/zinc/91/18/30/1139911830.db2.gz URAOEELUSNKRGE-KRWDZBQOSA-N 1 2 337.471 3.567 20 0 EHADLO COC(=O)c1occc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000181714055 1139925781 /nfs/dbraw/zinc/92/57/81/1139925781.db2.gz BAMWYDUDKVYGMC-INIZCTEOSA-N 1 2 331.412 3.952 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(-n2cncn2)cc1 ZINC000181903452 1139939019 /nfs/dbraw/zinc/93/90/19/1139939019.db2.gz HBZMQGHOQPWSMA-KGLIPLIRSA-N 1 2 339.443 3.965 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)[C@H](C)C(C)C ZINC000182416900 1139971078 /nfs/dbraw/zinc/97/10/78/1139971078.db2.gz APCYAEQXUOCWNC-CYBMUJFWSA-N 1 2 332.473 3.657 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)[C@H](C)C(C)C ZINC000182416900 1139971083 /nfs/dbraw/zinc/97/10/83/1139971083.db2.gz APCYAEQXUOCWNC-CYBMUJFWSA-N 1 2 332.473 3.657 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000182953353 1140003303 /nfs/dbraw/zinc/00/33/03/1140003303.db2.gz DABCURRGQHNNDK-QKFKETGDSA-N 1 2 328.481 3.980 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000182953353 1140003308 /nfs/dbraw/zinc/00/33/08/1140003308.db2.gz DABCURRGQHNNDK-QKFKETGDSA-N 1 2 328.481 3.980 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000183122468 1140014130 /nfs/dbraw/zinc/01/41/30/1140014130.db2.gz VEZKERVQTMBRCV-IERDGZPVSA-N 1 2 325.836 3.689 20 0 EHADLO CC(C)(C)OC(=O)[C@@H](NCc1cccc2[nH+]ccn21)c1ccccc1 ZINC000183297604 1140028254 /nfs/dbraw/zinc/02/82/54/1140028254.db2.gz IRNZXLVKPIXUER-SFHVURJKSA-N 1 2 337.423 3.507 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183623978 1140050719 /nfs/dbraw/zinc/05/07/19/1140050719.db2.gz VCEHOANRGYJSHQ-IBGZPJMESA-N 1 2 340.471 3.846 20 0 EHADLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000183873214 1140062951 /nfs/dbraw/zinc/06/29/51/1140062951.db2.gz UIXIELGEPTYHSC-STQMWFEESA-N 1 2 331.416 3.508 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960715 1140069844 /nfs/dbraw/zinc/06/98/44/1140069844.db2.gz IPJGYNCIBMHDEM-CVEARBPZSA-N 1 2 337.366 3.542 20 0 EHADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C(F)F)cc1)c1ccco1 ZINC000183960715 1140069848 /nfs/dbraw/zinc/06/98/48/1140069848.db2.gz IPJGYNCIBMHDEM-CVEARBPZSA-N 1 2 337.366 3.542 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184145366 1140083180 /nfs/dbraw/zinc/08/31/80/1140083180.db2.gz NITGAXAAQUJPFW-FUHWJXTLSA-N 1 2 344.455 3.919 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(SC)c1)c1ccc(C)o1 ZINC000184708349 1140116380 /nfs/dbraw/zinc/11/63/80/1140116380.db2.gz WYKHTINRUWDRBN-XJKSGUPXSA-N 1 2 348.468 3.614 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2CC)cs1 ZINC000184744713 1140118718 /nfs/dbraw/zinc/11/87/18/1140118718.db2.gz UGMDCNLULAOMIN-ZDUSSCGKSA-N 1 2 331.485 3.866 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)=O)cs1 ZINC000184747902 1140118735 /nfs/dbraw/zinc/11/87/35/1140118735.db2.gz VMOYSTDWEZLHLK-RYUDHWBXSA-N 1 2 345.468 3.586 20 0 EHADLO CCc1nc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cs1 ZINC000184745445 1140118745 /nfs/dbraw/zinc/11/87/45/1140118745.db2.gz PKEKPGHGIVGUCZ-AWEZNQCLSA-N 1 2 345.512 3.942 20 0 EHADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nnc(C)o3)s2)cc1 ZINC000184788400 1140120428 /nfs/dbraw/zinc/12/04/28/1140120428.db2.gz UVAWYRLSDYHENN-JTQLQIEISA-N 1 2 344.440 3.669 20 0 EHADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nnc(C)o3)s2)cc1 ZINC000184788382 1140120664 /nfs/dbraw/zinc/12/06/64/1140120664.db2.gz UVAWYRLSDYHENN-SNVBAGLBSA-N 1 2 344.440 3.669 20 0 EHADLO CCCCCCNC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184897912 1140124725 /nfs/dbraw/zinc/12/47/25/1140124725.db2.gz TZOTWDNAZWDWOB-OAHLLOKOSA-N 1 2 329.444 3.689 20 0 EHADLO OC1(c2ccccc2)CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000185487371 1140152556 /nfs/dbraw/zinc/15/25/56/1140152556.db2.gz SEVLDPBHMLZHEC-UHFFFAOYSA-N 1 2 340.448 3.887 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000186435670 1140204060 /nfs/dbraw/zinc/20/40/60/1140204060.db2.gz HNXDWCQPEYMEBI-QGZVFWFLSA-N 1 2 340.402 3.764 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000186738952 1140219817 /nfs/dbraw/zinc/21/98/17/1140219817.db2.gz QAKOMQMDGITKQC-LLVKDONJSA-N 1 2 341.242 3.640 20 0 EHADLO CC(C)(C)c1ncc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC000187655014 1140266395 /nfs/dbraw/zinc/26/63/95/1140266395.db2.gz ZZKDXJAAKPAFMZ-UHFFFAOYSA-N 1 2 334.407 3.784 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CCOC2CCCCCC2)c2ncc[nH]2)cc1 ZINC000188035421 1140280608 /nfs/dbraw/zinc/28/06/08/1140280608.db2.gz CTZPKENDARZYBC-GOSISDBHSA-N 1 2 331.435 3.967 20 0 EHADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000189050496 1140318339 /nfs/dbraw/zinc/31/83/39/1140318339.db2.gz YJJMJPUCZVEPSP-JTQLQIEISA-N 1 2 326.227 3.537 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000189245742 1140330213 /nfs/dbraw/zinc/33/02/13/1140330213.db2.gz PSJKWRYLBIEGRD-CVTTXWKISA-N 1 2 337.467 3.837 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1F ZINC000190434464 1140403382 /nfs/dbraw/zinc/40/33/82/1140403382.db2.gz YSPMWMFNXMEPQI-UHFFFAOYSA-N 1 2 336.386 3.668 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3cn(C(C)(C)C)nn3)c(C)c2c1 ZINC000190980133 1140429128 /nfs/dbraw/zinc/42/91/28/1140429128.db2.gz PUYJEUZVGJTUKY-ZDUSSCGKSA-N 1 2 342.443 3.947 20 0 EHADLO Brc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)o1 ZINC000191297502 1140452722 /nfs/dbraw/zinc/45/27/22/1140452722.db2.gz VZTCGKVLRTZVKO-UHFFFAOYSA-N 1 2 328.250 3.966 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)c(OC(C)(C)C)c1 ZINC000191300819 1140452755 /nfs/dbraw/zinc/45/27/55/1140452755.db2.gz HTYABYWKGGEFJR-UHFFFAOYSA-N 1 2 330.476 3.809 20 0 EHADLO CC(C)[C@@](C)([NH2+]Cc1csnn1)c1ccc(Br)cc1 ZINC000191640538 1140476662 /nfs/dbraw/zinc/47/66/62/1140476662.db2.gz ROVFTHSWDYXBFH-CQSZACIVSA-N 1 2 340.290 3.962 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000192100450 1140503274 /nfs/dbraw/zinc/50/32/74/1140503274.db2.gz APOMMDPHQYLVOE-HIFRSBDPSA-N 1 2 339.798 3.605 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(s1)CCCC2 ZINC000192260197 1140516448 /nfs/dbraw/zinc/51/64/48/1140516448.db2.gz STZDSJFBPJPUTO-UHFFFAOYSA-N 1 2 345.512 3.938 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)c1ccccc1OC(F)F ZINC000192726399 1140547215 /nfs/dbraw/zinc/54/72/15/1140547215.db2.gz PSYFPQDGFWVBGI-YPMHNXCESA-N 1 2 337.370 3.894 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000192885718 1140553728 /nfs/dbraw/zinc/55/37/28/1140553728.db2.gz IIPWBUVAZAFMCE-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(Cl)cc1 ZINC000193683401 1140583706 /nfs/dbraw/zinc/58/37/06/1140583706.db2.gz QSOUNWRYZPVFTL-QGZVFWFLSA-N 1 2 329.831 3.773 20 0 EHADLO CC(C)=CCOc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266174533 1140651699 /nfs/dbraw/zinc/65/16/99/1140651699.db2.gz XANLHROHYDBGLV-UHFFFAOYSA-N 1 2 339.439 3.775 20 0 EHADLO COCc1nc(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)cs1 ZINC000266186448 1140653499 /nfs/dbraw/zinc/65/34/99/1140653499.db2.gz HKENKYYCGYEUMQ-LLVKDONJSA-N 1 2 332.425 3.895 20 0 EHADLO CCCOc1ccc(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266314478 1140667486 /nfs/dbraw/zinc/66/74/86/1140667486.db2.gz VBPSDRRFHCPJRN-KRWDZBQOSA-N 1 2 341.455 3.537 20 0 EHADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000266447463 1140688080 /nfs/dbraw/zinc/68/80/80/1140688080.db2.gz IKQNWTQKUZJCON-CZUORRHYSA-N 1 2 329.469 3.606 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000266447465 1140688503 /nfs/dbraw/zinc/68/85/03/1140688503.db2.gz IKQNWTQKUZJCON-XJKSGUPXSA-N 1 2 329.469 3.606 20 0 EHADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cs1 ZINC000266609264 1140708140 /nfs/dbraw/zinc/70/81/40/1140708140.db2.gz VLDAJFFTJYNMSU-CQSZACIVSA-N 1 2 347.509 3.716 20 0 EHADLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cs1 ZINC000266609264 1140708142 /nfs/dbraw/zinc/70/81/42/1140708142.db2.gz VLDAJFFTJYNMSU-CQSZACIVSA-N 1 2 347.509 3.716 20 0 EHADLO CCCOc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266984160 1140746837 /nfs/dbraw/zinc/74/68/37/1140746837.db2.gz UTRHEEQQQYGMEL-UHFFFAOYSA-N 1 2 328.416 3.610 20 0 EHADLO CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CCCC1 ZINC000267474699 1140796053 /nfs/dbraw/zinc/79/60/53/1140796053.db2.gz VZUDKQSKELNRKI-MRXNPFEDSA-N 1 2 345.487 3.876 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cs1 ZINC000267663526 1140817072 /nfs/dbraw/zinc/81/70/72/1140817072.db2.gz XNEOIOBYXZAUHD-JTQLQIEISA-N 1 2 325.503 3.894 20 0 EHADLO COc1ccccc1[C@@H](C)[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000267735445 1140826766 /nfs/dbraw/zinc/82/67/66/1140826766.db2.gz ZRZLCCOXADNFDR-FATZIPQQSA-N 1 2 328.437 3.661 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)s1 ZINC000267814017 1140837691 /nfs/dbraw/zinc/83/76/91/1140837691.db2.gz UOWWFGPOVWSELC-UHFFFAOYSA-N 1 2 331.485 3.817 20 0 EHADLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267988449 1140862277 /nfs/dbraw/zinc/86/22/77/1140862277.db2.gz PCINKNUOZBNLGF-UONOGXRCSA-N 1 2 347.459 3.683 20 0 EHADLO C[C@H]1CCN(c2ncnc3cc(Cl)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000268269853 1140913002 /nfs/dbraw/zinc/91/30/02/1140913002.db2.gz OJQBICNVJLJIQU-BLLLJJGKSA-N 1 2 327.819 3.567 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)no1 ZINC000268374340 1140929266 /nfs/dbraw/zinc/92/92/66/1140929266.db2.gz WUOLMZXYPLJFMI-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)no1 ZINC000268374340 1140929271 /nfs/dbraw/zinc/92/92/71/1140929271.db2.gz WUOLMZXYPLJFMI-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000268517366 1140950209 /nfs/dbraw/zinc/95/02/09/1140950209.db2.gz XNRWQISFRHZZKG-ZDUSSCGKSA-N 1 2 347.488 3.785 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]C[C@H]3CCCCO3)c3ccccc3)n2)cc1 ZINC000268566421 1140955929 /nfs/dbraw/zinc/95/59/29/1140955929.db2.gz KSBZHZMREOMBDE-MOPGFXCFSA-N 1 2 349.434 3.985 20 0 EHADLO O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC001274434368 1140973000 /nfs/dbraw/zinc/97/30/00/1140973000.db2.gz JZIIQKMTKHQXKD-HXUWFJFHSA-N 1 2 349.409 3.878 20 0 EHADLO OCCC[N@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000268986599 1141040979 /nfs/dbraw/zinc/04/09/79/1141040979.db2.gz QUCWTAHBPHVXEQ-UHFFFAOYSA-N 1 2 339.464 3.590 20 0 EHADLO OCCC[N@@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000268986599 1141040987 /nfs/dbraw/zinc/04/09/87/1141040987.db2.gz QUCWTAHBPHVXEQ-UHFFFAOYSA-N 1 2 339.464 3.590 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000269034904 1141052487 /nfs/dbraw/zinc/05/24/87/1141052487.db2.gz FIRVUAIXDIHTKF-CHWSQXEVSA-N 1 2 348.468 3.863 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cs1 ZINC000269130692 1141069459 /nfs/dbraw/zinc/06/94/59/1141069459.db2.gz ZLEAKXGWFYOIDJ-IAQYHMDHSA-N 1 2 336.432 3.993 20 0 EHADLO Clc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000269282079 1141088160 /nfs/dbraw/zinc/08/81/60/1141088160.db2.gz KWCBOTCTLLYHLR-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(Br)c1 ZINC000269282079 1141088167 /nfs/dbraw/zinc/08/81/67/1141088167.db2.gz KWCBOTCTLLYHLR-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO CCSc1ccc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000269820755 1141146974 /nfs/dbraw/zinc/14/69/74/1141146974.db2.gz PBYNVTVMDVLZHR-YJBOKZPZSA-N 1 2 343.496 3.647 20 0 EHADLO Cc1noc([C@H]2CCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)C2)n1 ZINC000269965615 1141162999 /nfs/dbraw/zinc/16/29/99/1141162999.db2.gz NGBJORIYNSKAKF-AWEZNQCLSA-N 1 2 329.448 3.799 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270048061 1141172893 /nfs/dbraw/zinc/17/28/93/1141172893.db2.gz UEURBZSHRRTCOV-DZGCQCFKSA-N 1 2 331.847 3.648 20 0 EHADLO CC[N@H+](CCc1cccs1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000270784980 1141270189 /nfs/dbraw/zinc/27/01/89/1141270189.db2.gz PVEGAUKVTITSKN-UHFFFAOYSA-N 1 2 332.469 3.643 20 0 EHADLO CC[N@@H+](CCc1cccs1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000270784980 1141270194 /nfs/dbraw/zinc/27/01/94/1141270194.db2.gz PVEGAUKVTITSKN-UHFFFAOYSA-N 1 2 332.469 3.643 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271249626 1141332842 /nfs/dbraw/zinc/33/28/42/1141332842.db2.gz WLOZCZPGSKTTBQ-GFCCVEGCSA-N 1 2 337.366 3.807 20 0 EHADLO CCc1nc(C)c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)s1 ZINC000271525225 1141387788 /nfs/dbraw/zinc/38/77/88/1141387788.db2.gz VNSBWWSYBGVNMD-NOZJJQNGSA-N 1 2 326.412 3.676 20 0 EHADLO Cc1ccn2cc(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)nc2c1 ZINC000271575692 1141401385 /nfs/dbraw/zinc/40/13/85/1141401385.db2.gz QOOVQPSQNWSJNE-CYBMUJFWSA-N 1 2 326.469 3.829 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000274153468 1141479931 /nfs/dbraw/zinc/47/99/31/1141479931.db2.gz FOMLEALDMXLXGD-GHMZBOCLSA-N 1 2 345.472 3.542 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC(F)F ZINC000274208907 1141485556 /nfs/dbraw/zinc/48/55/56/1141485556.db2.gz MMPWQLSYBDVAAP-IUCAKERBSA-N 1 2 343.399 3.868 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000274215030 1141486599 /nfs/dbraw/zinc/48/65/99/1141486599.db2.gz NJXDWBPZDYFFSM-RYUDHWBXSA-N 1 2 347.488 3.788 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274302830 1141495379 /nfs/dbraw/zinc/49/53/79/1141495379.db2.gz FYRJEPIANTYQPQ-OAQYLSRUSA-N 1 2 345.446 3.909 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000339131677 1141505150 /nfs/dbraw/zinc/50/51/50/1141505150.db2.gz IDBUZNTZPISHGU-IBGZPJMESA-N 1 2 344.528 3.791 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000339131677 1141505151 /nfs/dbraw/zinc/50/51/51/1141505151.db2.gz IDBUZNTZPISHGU-IBGZPJMESA-N 1 2 344.528 3.791 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000339131688 1141505470 /nfs/dbraw/zinc/50/54/70/1141505470.db2.gz IDBUZNTZPISHGU-LJQANCHMSA-N 1 2 344.528 3.791 20 0 EHADLO CCc1nc(C(C)C)ccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000339131688 1141505475 /nfs/dbraw/zinc/50/54/75/1141505475.db2.gz IDBUZNTZPISHGU-LJQANCHMSA-N 1 2 344.528 3.791 20 0 EHADLO CC(C)N(C)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000339198694 1141526031 /nfs/dbraw/zinc/52/60/31/1141526031.db2.gz KXPARWIPCMTSIJ-UHFFFAOYSA-N 1 2 334.423 3.969 20 0 EHADLO Cc1cc(Br)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000274438580 1141528546 /nfs/dbraw/zinc/52/85/46/1141528546.db2.gz JABWNNVSUDLPHM-UHFFFAOYSA-N 1 2 348.244 3.500 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1cccnc1)Cc1ccccc1Cl ZINC000339259011 1141542380 /nfs/dbraw/zinc/54/23/80/1141542380.db2.gz UXFSTFKGAJLTSU-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1cccnc1)Cc1ccccc1Cl ZINC000339259011 1141542384 /nfs/dbraw/zinc/54/23/84/1141542384.db2.gz UXFSTFKGAJLTSU-OAHLLOKOSA-N 1 2 345.874 3.777 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000348583209 1141554771 /nfs/dbraw/zinc/55/47/71/1141554771.db2.gz XHOUIQAJMDUHRN-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000348583209 1141554773 /nfs/dbraw/zinc/55/47/73/1141554773.db2.gz XHOUIQAJMDUHRN-CQSZACIVSA-N 1 2 329.469 3.571 20 0 EHADLO CSc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)OCCO2 ZINC000348665903 1141564235 /nfs/dbraw/zinc/56/42/35/1141564235.db2.gz ADOZKKPMNSFUIL-OAHLLOKOSA-N 1 2 345.468 3.630 20 0 EHADLO CSc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)OCCO2 ZINC000348665903 1141564237 /nfs/dbraw/zinc/56/42/37/1141564237.db2.gz ADOZKKPMNSFUIL-OAHLLOKOSA-N 1 2 345.468 3.630 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc(C2CC2)cs1)c1cccc(Cl)c1 ZINC000348758043 1141576124 /nfs/dbraw/zinc/57/61/24/1141576124.db2.gz XVBOEVHEECIDBJ-AWEZNQCLSA-N 1 2 335.860 3.915 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)ccc1OC ZINC000348831153 1141590717 /nfs/dbraw/zinc/59/07/17/1141590717.db2.gz FLABFXXJNQHRKZ-QGZVFWFLSA-N 1 2 345.443 3.650 20 0 EHADLO CCOCc1cc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)ccc1OC ZINC000348831153 1141590721 /nfs/dbraw/zinc/59/07/21/1141590721.db2.gz FLABFXXJNQHRKZ-QGZVFWFLSA-N 1 2 345.443 3.650 20 0 EHADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1OCC1CC1)C2 ZINC000348871886 1141600831 /nfs/dbraw/zinc/60/08/31/1141600831.db2.gz YXLATXOULWDCKY-UHFFFAOYSA-N 1 2 325.408 3.576 20 0 EHADLO Oc1ccc2c(c1)OCC[N@H+](Cc1ccccc1OCC1CC1)C2 ZINC000348871886 1141600832 /nfs/dbraw/zinc/60/08/32/1141600832.db2.gz YXLATXOULWDCKY-UHFFFAOYSA-N 1 2 325.408 3.576 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(F)c3)cn2c1 ZINC000055254718 214296996 /nfs/dbraw/zinc/29/69/96/214296996.db2.gz MLCLTVXMDRZQDD-UHFFFAOYSA-N 1 2 329.400 3.654 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311068 216147497 /nfs/dbraw/zinc/14/74/97/216147497.db2.gz FIGJLMWLZLGTCW-KFWWJZLASA-N 1 2 339.480 3.583 20 0 EHADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311068 216147498 /nfs/dbraw/zinc/14/74/98/216147498.db2.gz FIGJLMWLZLGTCW-KFWWJZLASA-N 1 2 339.480 3.583 20 0 EHADLO Cc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000025415933 212479986 /nfs/dbraw/zinc/47/99/86/212479986.db2.gz IOHQTZQDBRBUNB-OAQYLSRUSA-N 1 2 331.419 3.708 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1F ZINC000096965368 218906795 /nfs/dbraw/zinc/90/67/95/218906795.db2.gz UOSXHKWWZRPGIF-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO CSc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000121851182 221952355 /nfs/dbraw/zinc/95/23/55/221952355.db2.gz SKHMYFABGNDNBP-UHFFFAOYSA-N 1 2 331.828 3.640 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C)[nH+]1 ZINC000455543129 563992633 /nfs/dbraw/zinc/99/26/33/563992633.db2.gz ZZWHGKQSSLUHTN-LBPRGKRZSA-N 1 2 345.365 3.580 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC2(C1)CCCCC2 ZINC000822331633 599051308 /nfs/dbraw/zinc/05/13/08/599051308.db2.gz IQODJKXXNISHNY-UHFFFAOYSA-N 1 2 348.454 3.884 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826323452 608745356 /nfs/dbraw/zinc/74/53/56/608745356.db2.gz FCCLIPUJGHHXIZ-NSHDSACASA-N 1 2 346.460 3.541 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826323452 608745363 /nfs/dbraw/zinc/74/53/63/608745363.db2.gz FCCLIPUJGHHXIZ-NSHDSACASA-N 1 2 346.460 3.541 20 0 EHADLO CN(C)c1ccc(NCc2csc(COc3ccccc3)n2)c[nH+]1 ZINC000153344359 1125473737 /nfs/dbraw/zinc/47/37/37/1125473737.db2.gz BDLJUJCEAQLOLS-UHFFFAOYSA-N 1 2 340.452 3.795 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000449032595 1032072887 /nfs/dbraw/zinc/07/28/87/1032072887.db2.gz XILAPYLLCHPIIT-CQSZACIVSA-N 1 2 333.838 3.753 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2cnc(Br)s2)c1 ZINC000296263053 1021304361 /nfs/dbraw/zinc/30/43/61/1021304361.db2.gz GIPGGBAZQNAJAA-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2cnc(Br)s2)c1 ZINC000296263053 1021304377 /nfs/dbraw/zinc/30/43/77/1021304377.db2.gz GIPGGBAZQNAJAA-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO Cc1cn2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000339272242 1014138913 /nfs/dbraw/zinc/13/89/13/1014138913.db2.gz DROFJRBGYQFYFY-UHFFFAOYSA-N 1 2 349.312 3.679 20 0 EHADLO O=c1cc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)nc(C2CC2)[nH]1 ZINC000459413088 1032084475 /nfs/dbraw/zinc/08/44/75/1032084475.db2.gz SOTTWBHDEDNGMH-UHFFFAOYSA-N 1 2 343.377 3.627 20 0 EHADLO CCn1nnc(C)c1C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000449037783 1032084969 /nfs/dbraw/zinc/08/49/69/1032084969.db2.gz OXUBNQKWGYHAPS-UHFFFAOYSA-N 1 2 334.414 3.829 20 0 EHADLO CCn1nnc(C)c1C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000449037783 1032084983 /nfs/dbraw/zinc/08/49/83/1032084983.db2.gz OXUBNQKWGYHAPS-UHFFFAOYSA-N 1 2 334.414 3.829 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000274580864 1014277242 /nfs/dbraw/zinc/27/72/42/1014277242.db2.gz ISXYPDIZDBAICN-VHSXEESVSA-N 1 2 343.374 3.840 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000547630443 1014472899 /nfs/dbraw/zinc/47/28/99/1014472899.db2.gz YGHMPFACLSTSTJ-CXAGYDPISA-N 1 2 346.862 3.548 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC=C(F)C1 ZINC000274679252 1014533506 /nfs/dbraw/zinc/53/35/06/1014533506.db2.gz WHJLVHHGQNMPEB-UHFFFAOYSA-N 1 2 338.386 3.693 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000339469899 1014544154 /nfs/dbraw/zinc/54/41/54/1014544154.db2.gz QOMCMXHDJMKGQQ-HNAYVOBHSA-N 1 2 333.435 3.693 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC000182422804 1032096739 /nfs/dbraw/zinc/09/67/39/1032096739.db2.gz JHMLGZMPVCPHMY-VIFPVBQESA-N 1 2 343.374 3.971 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCOC3(CCC3)C2)s1 ZINC000449025254 1032098597 /nfs/dbraw/zinc/09/85/97/1032098597.db2.gz BBAYPLCDXKRGKM-UHFFFAOYSA-N 1 2 336.407 3.843 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCOC3(CCC3)C2)s1 ZINC000449025254 1032098607 /nfs/dbraw/zinc/09/86/07/1032098607.db2.gz BBAYPLCDXKRGKM-UHFFFAOYSA-N 1 2 336.407 3.843 20 0 EHADLO CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902379365 980862718 /nfs/dbraw/zinc/86/27/18/980862718.db2.gz BPMPTGHHZBQJRB-UHFFFAOYSA-N 1 2 344.455 3.712 20 0 EHADLO CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902379365 980862721 /nfs/dbraw/zinc/86/27/21/980862721.db2.gz BPMPTGHHZBQJRB-UHFFFAOYSA-N 1 2 344.455 3.712 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000339532154 1014722371 /nfs/dbraw/zinc/72/23/71/1014722371.db2.gz RQAMCAIFZNJUTE-KRWDZBQOSA-N 1 2 337.448 3.516 20 0 EHADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000182516892 1032104162 /nfs/dbraw/zinc/10/41/62/1032104162.db2.gz NACRUJNPOMEVRJ-SNVBAGLBSA-N 1 2 329.322 3.942 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)s2)c(C)c1 ZINC000655051507 1014882102 /nfs/dbraw/zinc/88/21/02/1014882102.db2.gz GBODWTRYFDNKCQ-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)N3CC[N@H+](C)C(C)(C)C3)s2)c(C)c1 ZINC000655051507 1014882108 /nfs/dbraw/zinc/88/21/08/1014882108.db2.gz GBODWTRYFDNKCQ-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195370 1014939046 /nfs/dbraw/zinc/93/90/46/1014939046.db2.gz QSPDMTVTGAWQIZ-ZFWWWQNUSA-N 1 2 344.455 3.780 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195370 1014939057 /nfs/dbraw/zinc/93/90/57/1014939057.db2.gz QSPDMTVTGAWQIZ-ZFWWWQNUSA-N 1 2 344.455 3.780 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2C)C1 ZINC000728194460 1014940053 /nfs/dbraw/zinc/94/00/53/1014940053.db2.gz LJSAETBFXUYUDN-HOTGVXAUSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2C)C1 ZINC000728194460 1014940061 /nfs/dbraw/zinc/94/00/61/1014940061.db2.gz LJSAETBFXUYUDN-HOTGVXAUSA-N 1 2 340.492 3.949 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728197613 1014946698 /nfs/dbraw/zinc/94/66/98/1014946698.db2.gz FRXCNIOHZGXITD-XLIONFOSSA-N 1 2 335.451 3.501 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000728197613 1014946709 /nfs/dbraw/zinc/94/67/09/1014946709.db2.gz FRXCNIOHZGXITD-XLIONFOSSA-N 1 2 335.451 3.501 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(Cl)cn1 ZINC000274794962 1015170564 /nfs/dbraw/zinc/17/05/64/1015170564.db2.gz SSBVPNSSDGXKGM-MGPQQGTHSA-N 1 2 346.862 3.917 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4ccc(F)cc4[C@H](C)C3)ccn12 ZINC000655166445 1015188378 /nfs/dbraw/zinc/18/83/78/1015188378.db2.gz BCWOEZOSLFDHST-CYBMUJFWSA-N 1 2 337.398 3.584 20 0 EHADLO C[C@H](c1cccc(NC(=O)/C=C\C2CCCC2)c1)[NH+]1CCOCC1 ZINC000843544124 1015239861 /nfs/dbraw/zinc/23/98/61/1015239861.db2.gz JCTGSTIIZWRTLH-ZBTGYSDGSA-N 1 2 328.456 3.765 20 0 EHADLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000471176975 1015290335 /nfs/dbraw/zinc/29/03/35/1015290335.db2.gz IRMRENLVUFDOGN-INIZCTEOSA-N 1 2 332.350 3.674 20 0 EHADLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000471176975 1015290346 /nfs/dbraw/zinc/29/03/46/1015290346.db2.gz IRMRENLVUFDOGN-INIZCTEOSA-N 1 2 332.350 3.674 20 0 EHADLO Cc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000010831995 1015336608 /nfs/dbraw/zinc/33/66/08/1015336608.db2.gz YBVFZRTYCWUBQV-UHFFFAOYSA-N 1 2 336.435 3.528 20 0 EHADLO Cc1cccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1Cl ZINC000072579687 1015368930 /nfs/dbraw/zinc/36/89/30/1015368930.db2.gz RRMIOQFYFNXSDY-UHFFFAOYSA-N 1 2 329.831 3.786 20 0 EHADLO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ncc(Br)s1 ZINC000339680239 1015497900 /nfs/dbraw/zinc/49/79/00/1015497900.db2.gz CKPKGSJTPSXFNU-UTUOFQBUSA-N 1 2 346.338 3.819 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](C)CCNC(=O)C(C)C)cs2)cc1 ZINC000179680621 1015548227 /nfs/dbraw/zinc/54/82/27/1015548227.db2.gz JRPJUMAHXHIFJW-UHFFFAOYSA-N 1 2 345.512 3.577 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](C)CCNC(=O)C(C)C)cs2)cc1 ZINC000179680621 1015548232 /nfs/dbraw/zinc/54/82/32/1015548232.db2.gz JRPJUMAHXHIFJW-UHFFFAOYSA-N 1 2 345.512 3.577 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000134469323 1015553932 /nfs/dbraw/zinc/55/39/32/1015553932.db2.gz BXLHTVRICRBHLY-UHFFFAOYSA-N 1 2 349.887 3.514 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339781795 1015675704 /nfs/dbraw/zinc/67/57/04/1015675704.db2.gz LVSCOIRMEHEBAJ-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339781795 1015675707 /nfs/dbraw/zinc/67/57/07/1015675707.db2.gz LVSCOIRMEHEBAJ-CQSZACIVSA-N 1 2 342.414 3.610 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792309 1015677377 /nfs/dbraw/zinc/67/73/77/1015677377.db2.gz NVZJNCLQTIMJJW-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1)c1ccc(F)cc1 ZINC000339792309 1015677385 /nfs/dbraw/zinc/67/73/85/1015677385.db2.gz NVZJNCLQTIMJJW-KGLIPLIRSA-N 1 2 344.405 3.589 20 0 EHADLO Cc1cc(C)c2c(c1)CN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000274963945 1015689428 /nfs/dbraw/zinc/68/94/28/1015689428.db2.gz HXAXDDGYTVZXJV-UHFFFAOYSA-N 1 2 345.446 3.747 20 0 EHADLO Brc1ccccc1C[C@@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000339800019 1015689860 /nfs/dbraw/zinc/68/98/60/1015689860.db2.gz CNTWLLNYDBSMSR-HNNXBMFYSA-N 1 2 346.272 3.836 20 0 EHADLO Brc1ccccc1C[C@@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000339800019 1015689867 /nfs/dbraw/zinc/68/98/67/1015689867.db2.gz CNTWLLNYDBSMSR-HNNXBMFYSA-N 1 2 346.272 3.836 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339824227 1015704416 /nfs/dbraw/zinc/70/44/16/1015704416.db2.gz FIHQVNFZHRXAJQ-LLVKDONJSA-N 1 2 346.780 3.539 20 0 EHADLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339824227 1015704423 /nfs/dbraw/zinc/70/44/23/1015704423.db2.gz FIHQVNFZHRXAJQ-LLVKDONJSA-N 1 2 346.780 3.539 20 0 EHADLO COc1cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)ccn1 ZINC000339865146 1015791352 /nfs/dbraw/zinc/79/13/52/1015791352.db2.gz IALJCPOJVRUDGX-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)ccn1 ZINC000339865146 1015791357 /nfs/dbraw/zinc/79/13/57/1015791357.db2.gz IALJCPOJVRUDGX-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000180052636 1015844676 /nfs/dbraw/zinc/84/46/76/1015844676.db2.gz RSNCXKZRZYHWPM-BBWFWOEESA-N 1 2 332.488 3.583 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1nnc(C)s1)CCC2 ZINC000278722336 1032135309 /nfs/dbraw/zinc/13/53/09/1032135309.db2.gz MGQMWAAMHSFWLQ-ZYHUDNBSSA-N 1 2 349.456 3.653 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc2c1OCO2 ZINC000275124754 1016073199 /nfs/dbraw/zinc/07/31/99/1016073199.db2.gz IUNHRAQGEABFIP-CQSZACIVSA-N 1 2 332.425 3.526 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc2c1OCO2 ZINC000275124754 1016073211 /nfs/dbraw/zinc/07/32/11/1016073211.db2.gz IUNHRAQGEABFIP-CQSZACIVSA-N 1 2 332.425 3.526 20 0 EHADLO C[C@@H](CNC(=O)CCCCCc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000275138237 1016089011 /nfs/dbraw/zinc/08/90/11/1016089011.db2.gz KZZVRKWFRGPYKD-INIZCTEOSA-N 1 2 331.435 3.578 20 0 EHADLO O=C(NCc1cccs1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000080512817 1032140026 /nfs/dbraw/zinc/14/00/26/1032140026.db2.gz CSWCIWWNZSZGAB-QGZVFWFLSA-N 1 2 332.444 3.558 20 0 EHADLO O=C(NCc1cccs1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080512817 1032140035 /nfs/dbraw/zinc/14/00/35/1032140035.db2.gz CSWCIWWNZSZGAB-QGZVFWFLSA-N 1 2 332.444 3.558 20 0 EHADLO Cc1ccc(C)n1-c1sccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155098020 1016134402 /nfs/dbraw/zinc/13/44/02/1016134402.db2.gz FDIZKJODLUEWJG-UHFFFAOYSA-N 1 2 342.468 3.514 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047616699 1016207896 /nfs/dbraw/zinc/20/78/96/1016207896.db2.gz QGZYYAZDDBEIKH-MRXNPFEDSA-N 1 2 332.492 3.564 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccccc1Br ZINC000037844404 1016207923 /nfs/dbraw/zinc/20/79/23/1016207923.db2.gz SAMKQLFNCKTSIW-UHFFFAOYSA-N 1 2 342.196 3.887 20 0 EHADLO Clc1nc(Cl)c(N2CCC(n3cc[nH+]c3)CC2)c(C2CC2)n1 ZINC001167127986 1016220160 /nfs/dbraw/zinc/22/01/60/1016220160.db2.gz AWHBSVMGQHHLLA-UHFFFAOYSA-N 1 2 338.242 3.699 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc3ccccc3c(Cl)n2)c[nH+]1 ZINC000397048180 1016232182 /nfs/dbraw/zinc/23/21/82/1016232182.db2.gz WUQSQPWXYHESDG-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC001594182723 998702762 /nfs/dbraw/zinc/70/27/62/998702762.db2.gz GBMRXSQPTGPIPF-SAJDGTNDSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC001594182723 998702765 /nfs/dbraw/zinc/70/27/65/998702765.db2.gz GBMRXSQPTGPIPF-SAJDGTNDSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@@H+]1C ZINC001594245157 998935582 /nfs/dbraw/zinc/93/55/82/998935582.db2.gz IAUKRQSJQZYZIA-WMLDXEAASA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[N@H+]1C ZINC001594245157 998935586 /nfs/dbraw/zinc/93/55/86/998935586.db2.gz IAUKRQSJQZYZIA-WMLDXEAASA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245157 998935588 /nfs/dbraw/zinc/93/55/88/998935588.db2.gz IAUKRQSJQZYZIA-WMLDXEAASA-N 1 2 342.439 3.559 20 0 EHADLO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC[NH+]1C ZINC001594245157 998935591 /nfs/dbraw/zinc/93/55/91/998935591.db2.gz IAUKRQSJQZYZIA-WMLDXEAASA-N 1 2 342.439 3.559 20 0 EHADLO CCCc1cc(N2CCO[C@@](C)(c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC001167140263 1016283515 /nfs/dbraw/zinc/28/35/15/1016283515.db2.gz JLRHRBLEAVHIEL-LJQANCHMSA-N 1 2 329.419 3.629 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C ZINC000155241842 1016352209 /nfs/dbraw/zinc/35/22/09/1016352209.db2.gz JXDWLMJZOLNULZ-GOSISDBHSA-N 1 2 333.863 3.747 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C ZINC000155241842 1016352219 /nfs/dbraw/zinc/35/22/19/1016352219.db2.gz JXDWLMJZOLNULZ-GOSISDBHSA-N 1 2 333.863 3.747 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510191120 1016388857 /nfs/dbraw/zinc/38/88/57/1016388857.db2.gz GPPUJYXPIPFZCX-UHFFFAOYSA-N 1 2 343.920 3.765 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510191120 1016388861 /nfs/dbraw/zinc/38/88/61/1016388861.db2.gz GPPUJYXPIPFZCX-UHFFFAOYSA-N 1 2 343.920 3.765 20 0 EHADLO O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177644844 1016412253 /nfs/dbraw/zinc/41/22/53/1016412253.db2.gz DNNUFPACHUWNAX-OAHLLOKOSA-N 1 2 337.345 3.723 20 0 EHADLO CC(C)(C)Oc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000683386807 1016560882 /nfs/dbraw/zinc/56/08/82/1016560882.db2.gz PFHUPTTYVLSOTR-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO CC(C)(C)Oc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000683386807 1016560900 /nfs/dbraw/zinc/56/09/00/1016560900.db2.gz PFHUPTTYVLSOTR-UHFFFAOYSA-N 1 2 326.444 3.866 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363420 1016562220 /nfs/dbraw/zinc/56/22/20/1016562220.db2.gz ROHFVGAMFJBNGQ-STQMWFEESA-N 1 2 337.407 3.605 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363420 1016562236 /nfs/dbraw/zinc/56/22/36/1016562236.db2.gz ROHFVGAMFJBNGQ-STQMWFEESA-N 1 2 337.407 3.605 20 0 EHADLO COC(=O)c1coc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000275394709 1016680654 /nfs/dbraw/zinc/68/06/54/1016680654.db2.gz ATCYYPVEWQRWPS-SNVBAGLBSA-N 1 2 349.337 3.662 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)/C(F)=C/C1CCCCC1 ZINC001125340090 1016707336 /nfs/dbraw/zinc/70/73/36/1016707336.db2.gz WBSTVVBRGVXWPT-UNOMPAQXSA-N 1 2 341.430 3.981 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000026475570 1016704119 /nfs/dbraw/zinc/70/41/19/1016704119.db2.gz DQYSRYQZDBUUOL-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000026475570 1016704130 /nfs/dbraw/zinc/70/41/30/1016704130.db2.gz DQYSRYQZDBUUOL-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cccc2c(CC[NH2+][C@@H](c3nnc[nH]3)c3ccc(F)cc3)c[nH]c21 ZINC000340261099 1016811162 /nfs/dbraw/zinc/81/11/62/1016811162.db2.gz VDHJYOKQVACKII-LJQANCHMSA-N 1 2 349.413 3.655 20 0 EHADLO COc1cc([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc2ccccc21 ZINC000890792766 1016874071 /nfs/dbraw/zinc/87/40/71/1016874071.db2.gz AYPJCMMARZLNNZ-LSDHHAIUSA-N 1 2 337.423 3.873 20 0 EHADLO CCc1ccc(O)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000109814476 1016876933 /nfs/dbraw/zinc/87/69/33/1016876933.db2.gz YVNGNFCTDGPLSD-UHFFFAOYSA-N 1 2 345.468 3.649 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528380077 1032187416 /nfs/dbraw/zinc/18/74/16/1032187416.db2.gz JFMICBLDZRUSGD-KRWDZBQOSA-N 1 2 342.464 3.779 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc3cc(C)ccc3s2)cc1 ZINC000528380077 1032187426 /nfs/dbraw/zinc/18/74/26/1032187426.db2.gz JFMICBLDZRUSGD-KRWDZBQOSA-N 1 2 342.464 3.779 20 0 EHADLO CCOc1cc(CNC[C@H]2CCCC[N@@H+]2C2CC2)cc(Cl)c1O ZINC000459501443 1032201142 /nfs/dbraw/zinc/20/11/42/1032201142.db2.gz FCBNRILWNYFRTM-OAHLLOKOSA-N 1 2 338.879 3.551 20 0 EHADLO CCOc1cc(CNC[C@H]2CCCC[N@H+]2C2CC2)cc(Cl)c1O ZINC000459501443 1032201158 /nfs/dbraw/zinc/20/11/58/1032201158.db2.gz FCBNRILWNYFRTM-OAHLLOKOSA-N 1 2 338.879 3.551 20 0 EHADLO Cc1cc2[nH+]ccn2c(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000904753047 1032210173 /nfs/dbraw/zinc/21/01/73/1032210173.db2.gz WMVPZCBOASGRTM-AWEZNQCLSA-N 1 2 326.371 3.864 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(CO)ccc2F)[C@@H](C)CO1 ZINC000528387458 1032210681 /nfs/dbraw/zinc/21/06/81/1032210681.db2.gz GRXYWEKOGFIAEV-MGPUTAFESA-N 1 2 329.415 3.588 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)[C@@H](C)CO1 ZINC000528387458 1032210695 /nfs/dbraw/zinc/21/06/95/1032210695.db2.gz GRXYWEKOGFIAEV-MGPUTAFESA-N 1 2 329.415 3.588 20 0 EHADLO Cc1cc(CNc2[nH+]c3ccccc3n2C(C)C)ccc1-n1cncn1 ZINC000584361689 1032216843 /nfs/dbraw/zinc/21/68/43/1032216843.db2.gz AANYTWYDTFNIKW-UHFFFAOYSA-N 1 2 346.438 3.540 20 0 EHADLO CCNC(=O)Nc1ccc(C)c(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000278742531 1032261051 /nfs/dbraw/zinc/26/10/51/1032261051.db2.gz MPVOFUIABKWDJW-UHFFFAOYSA-N 1 2 337.427 3.705 20 0 EHADLO Fc1ccc(-c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000904807502 1032259399 /nfs/dbraw/zinc/25/93/99/1032259399.db2.gz USCVXLJHZDIIDE-UHFFFAOYSA-N 1 2 338.317 3.791 20 0 EHADLO CSc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184049235 1032266464 /nfs/dbraw/zinc/26/64/64/1032266464.db2.gz OZEAKNIRTRKBHB-UHFFFAOYSA-N 1 2 342.468 3.548 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000184385117 1032289800 /nfs/dbraw/zinc/28/98/00/1032289800.db2.gz RUWJCSDJISGWNR-HRAATJIYSA-N 1 2 348.446 3.786 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000184385117 1032289809 /nfs/dbraw/zinc/28/98/09/1032289809.db2.gz RUWJCSDJISGWNR-HRAATJIYSA-N 1 2 348.446 3.786 20 0 EHADLO Cc1ccc2sc(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)nc2c1 ZINC000528436145 1032293912 /nfs/dbraw/zinc/29/39/12/1032293912.db2.gz KROLCLLSGIVONM-WAIKUNEKSA-N 1 2 344.505 3.814 20 0 EHADLO CSc1ccc(C)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000538344456 1032312037 /nfs/dbraw/zinc/31/20/37/1032312037.db2.gz LPPWFXYCBJXEKW-UHFFFAOYSA-N 1 2 325.437 3.854 20 0 EHADLO CCOC1(C)C[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000459627928 1032341138 /nfs/dbraw/zinc/34/11/38/1032341138.db2.gz XDNZQDAFBWHOJV-UHFFFAOYSA-N 1 2 348.450 3.545 20 0 EHADLO CCOC(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)OCC ZINC000184988842 1032350698 /nfs/dbraw/zinc/35/06/98/1032350698.db2.gz NRCSPWYBXHKGBA-GOSISDBHSA-N 1 2 334.847 3.813 20 0 EHADLO C[C@@H](CNc1c[nH+]cc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000668440174 1032353019 /nfs/dbraw/zinc/35/30/19/1032353019.db2.gz KIHZNGWUUDHZFZ-AWEZNQCLSA-N 1 2 344.480 3.580 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000449257960 1032367793 /nfs/dbraw/zinc/36/77/93/1032367793.db2.gz NORZPQBQEZRMNS-FQEVSTJZSA-N 1 2 339.414 3.755 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000185494801 1032403608 /nfs/dbraw/zinc/40/36/08/1032403608.db2.gz XFYDJMQBJMSNPX-INIZCTEOSA-N 1 2 328.481 3.700 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)c2ccccc2)CC1 ZINC000185494801 1032403615 /nfs/dbraw/zinc/40/36/15/1032403615.db2.gz XFYDJMQBJMSNPX-INIZCTEOSA-N 1 2 328.481 3.700 20 0 EHADLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)[C@@H]1O ZINC000459678704 1032407541 /nfs/dbraw/zinc/40/75/41/1032407541.db2.gz BKXZZUBQUQODSX-HIFRSBDPSA-N 1 2 343.370 3.528 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306736 1032425131 /nfs/dbraw/zinc/42/51/31/1032425131.db2.gz XMJBFNGTLVEASI-APWZRJJASA-N 1 2 343.492 3.858 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449306736 1032425138 /nfs/dbraw/zinc/42/51/38/1032425138.db2.gz XMJBFNGTLVEASI-APWZRJJASA-N 1 2 343.492 3.858 20 0 EHADLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1ccc(Cl)c(F)c1 ZINC000528533691 1032434855 /nfs/dbraw/zinc/43/48/55/1032434855.db2.gz MFODAUHMBTWFIJ-UHFFFAOYSA-N 1 2 332.753 3.539 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccn(C)n1 ZINC000459748072 1032443772 /nfs/dbraw/zinc/44/37/72/1032443772.db2.gz JPCREPIOXPEZSC-SECBINFHSA-N 1 2 328.641 3.687 20 0 EHADLO Fc1ccccc1C1CC([NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000340377926 1017087052 /nfs/dbraw/zinc/08/70/52/1017087052.db2.gz UQWXLFQNVXAJSJ-ZEPSKSRBSA-N 1 2 328.416 3.631 20 0 EHADLO Cc1cc(N(C)Cc2cnccn2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000536988425 1032463631 /nfs/dbraw/zinc/46/36/31/1032463631.db2.gz YSHQWBVSQKWHJV-UHFFFAOYSA-N 1 2 348.328 3.868 20 0 EHADLO C[C@H](CC(=O)N1CCc2oc(-c3ccccc3)cc2C1)n1cc[nH+]c1 ZINC000650237485 1017293222 /nfs/dbraw/zinc/29/32/22/1017293222.db2.gz LNAVCSVTEORRDR-OAHLLOKOSA-N 1 2 335.407 3.679 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000528594937 1032477401 /nfs/dbraw/zinc/47/74/01/1032477401.db2.gz SLDBASJNAGVQJG-GOSISDBHSA-N 1 2 325.431 3.959 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000528594937 1032477405 /nfs/dbraw/zinc/47/74/05/1032477405.db2.gz SLDBASJNAGVQJG-GOSISDBHSA-N 1 2 325.431 3.959 20 0 EHADLO Cc1[nH]ncc1C[NH2+][C@@H](CCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000449365070 1032480363 /nfs/dbraw/zinc/48/03/63/1032480363.db2.gz UXCXRHKOHGKWIS-SFHVURJKSA-N 1 2 343.471 3.541 20 0 EHADLO CCOc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OCC(C)C ZINC000449405709 1032526511 /nfs/dbraw/zinc/52/65/11/1032526511.db2.gz NECSFJNVUQKTHU-UHFFFAOYSA-N 1 2 346.475 3.651 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2ccc(OC(F)F)c(F)c2)c(C)[nH+]1 ZINC000459937086 1032530994 /nfs/dbraw/zinc/53/09/94/1032530994.db2.gz WPMNXMBWOUMNPT-UHFFFAOYSA-N 1 2 338.329 3.929 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)NCCNc1cccc[nH+]1 ZINC000537173226 1032547426 /nfs/dbraw/zinc/54/74/26/1032547426.db2.gz JDJRWXBPHTVDKH-UHFFFAOYSA-N 1 2 344.484 3.736 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2c2c[nH+]cn2C)o1 ZINC000685304068 1032548443 /nfs/dbraw/zinc/54/84/43/1032548443.db2.gz IMXRYZZYKVWNBC-PVAVHDDUSA-N 1 2 341.455 3.823 20 0 EHADLO c1cc(-c2noc(C[NH2+][C@@H](c3ccccn3)C3CCC3)n2)cs1 ZINC000528651328 1032557272 /nfs/dbraw/zinc/55/72/72/1032557272.db2.gz QUSPVFOOPRMMTI-MRXNPFEDSA-N 1 2 326.425 3.824 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c(OC)c1 ZINC000528671497 1032583654 /nfs/dbraw/zinc/58/36/54/1032583654.db2.gz YCRSYXLXXOKNTK-ZDUSSCGKSA-N 1 2 337.423 3.806 20 0 EHADLO O[C@@]1(C(F)F)CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449467124 1032618222 /nfs/dbraw/zinc/61/82/22/1032618222.db2.gz IKCSSEIPGCWLID-HNNXBMFYSA-N 1 2 344.814 3.665 20 0 EHADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449467124 1032618231 /nfs/dbraw/zinc/61/82/31/1032618231.db2.gz IKCSSEIPGCWLID-HNNXBMFYSA-N 1 2 344.814 3.665 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625270047 1017128558 /nfs/dbraw/zinc/12/85/58/1017128558.db2.gz WKLRXBUCKNOUFR-ZDUSSCGKSA-N 1 2 325.522 3.730 20 0 EHADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625270047 1017128566 /nfs/dbraw/zinc/12/85/66/1017128566.db2.gz WKLRXBUCKNOUFR-ZDUSSCGKSA-N 1 2 325.522 3.730 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000188524843 1017197033 /nfs/dbraw/zinc/19/70/33/1017197033.db2.gz ZTMCYCJBBUSFJV-UHFFFAOYSA-N 1 2 345.406 3.535 20 0 EHADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCCCC1 ZINC000008000887 1017282243 /nfs/dbraw/zinc/28/22/43/1017282243.db2.gz GPMQUASBHANSGR-GOSISDBHSA-N 1 2 346.521 3.770 20 0 EHADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCCCC1 ZINC000008000887 1017282250 /nfs/dbraw/zinc/28/22/50/1017282250.db2.gz GPMQUASBHANSGR-GOSISDBHSA-N 1 2 346.521 3.770 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000606448645 1032691891 /nfs/dbraw/zinc/69/18/91/1032691891.db2.gz DCFGJGYNZSVYOY-CYBMUJFWSA-N 1 2 346.833 3.715 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000606448645 1032691895 /nfs/dbraw/zinc/69/18/95/1032691895.db2.gz DCFGJGYNZSVYOY-CYBMUJFWSA-N 1 2 346.833 3.715 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000606450165 1032691970 /nfs/dbraw/zinc/69/19/70/1032691970.db2.gz QEXUKZMKOAZNII-CSLYMUCUSA-N 1 2 332.463 3.782 20 0 EHADLO CC1CCC(N(C)C(=O)C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000606450165 1032691980 /nfs/dbraw/zinc/69/19/80/1032691980.db2.gz QEXUKZMKOAZNII-CSLYMUCUSA-N 1 2 332.463 3.782 20 0 EHADLO CCc1nnc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)s1 ZINC000892764530 1017356586 /nfs/dbraw/zinc/35/65/86/1017356586.db2.gz ZHGCEMIKFXQLCQ-UHFFFAOYSA-N 1 2 330.482 3.822 20 0 EHADLO CCCC[N@H+](Cc1cc(C(=O)OC)no1)Cc1ccccc1Cl ZINC001167294405 1017406979 /nfs/dbraw/zinc/40/69/79/1017406979.db2.gz PQTVDISUQLQLTC-UHFFFAOYSA-N 1 2 336.819 3.917 20 0 EHADLO CCCC[N@@H+](Cc1cc(C(=O)OC)no1)Cc1ccccc1Cl ZINC001167294405 1017406983 /nfs/dbraw/zinc/40/69/83/1017406983.db2.gz PQTVDISUQLQLTC-UHFFFAOYSA-N 1 2 336.819 3.917 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](C2CCCCC2)C1 ZINC000618182743 1017487157 /nfs/dbraw/zinc/48/71/57/1017487157.db2.gz OPMZLKQVBLOILH-FQEVSTJZSA-N 1 2 337.467 3.974 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000057375788 1017544925 /nfs/dbraw/zinc/54/49/25/1017544925.db2.gz AGJNQMWVGGOMGL-KRWDZBQOSA-N 1 2 346.862 3.863 20 0 EHADLO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CCc1[nH]cc[nH+]1 ZINC001143491757 1017608317 /nfs/dbraw/zinc/60/83/17/1017608317.db2.gz QYHNQWYWTDTZAM-GOSISDBHSA-N 1 2 327.472 3.992 20 0 EHADLO Fc1ccc(C2=CC[C@@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)CC2)cc1 ZINC000655794844 1017627986 /nfs/dbraw/zinc/62/79/86/1017627986.db2.gz SOPLVZJMRSZEAK-SJORKVTESA-N 1 2 342.418 3.521 20 0 EHADLO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000655796974 1017636560 /nfs/dbraw/zinc/63/65/60/1017636560.db2.gz LEKAEXNHIXGVBQ-HOTGVXAUSA-N 1 2 344.484 3.545 20 0 EHADLO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655798785 1017638922 /nfs/dbraw/zinc/63/89/22/1017638922.db2.gz YKTJKFAIWPYNGA-PBHICJAKSA-N 1 2 344.459 3.542 20 0 EHADLO CCCCCn1cc(C(=O)NCCc2c[nH+]cn2C)c2ccccc21 ZINC000121425385 1017728758 /nfs/dbraw/zinc/72/87/58/1017728758.db2.gz VQVIBMOPHBUDEH-UHFFFAOYSA-N 1 2 338.455 3.538 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OC[C@H]2CCCO2)c1 ZINC000091736178 1032719091 /nfs/dbraw/zinc/71/90/91/1032719091.db2.gz WGIHZWFGZVWEAP-GDBMZVCRSA-N 1 2 332.469 3.860 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ncc(Br)cn1 ZINC000340425801 1017738952 /nfs/dbraw/zinc/73/89/52/1017738952.db2.gz UMPKMDJIYYQYIE-OTYXRUKQSA-N 1 2 336.208 3.716 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000377394979 1017747414 /nfs/dbraw/zinc/74/74/14/1017747414.db2.gz ZKKPEVJWZLNYSZ-TZMCWYRMSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000377394979 1017747420 /nfs/dbraw/zinc/74/74/20/1017747420.db2.gz ZKKPEVJWZLNYSZ-TZMCWYRMSA-N 1 2 332.245 3.790 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1nccn1-c1ccccc1 ZINC000377408331 1017763848 /nfs/dbraw/zinc/76/38/48/1017763848.db2.gz PZBLRCPYHCDSPX-AWEZNQCLSA-N 1 2 333.395 3.706 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046898678 1017820528 /nfs/dbraw/zinc/82/05/28/1017820528.db2.gz WYZQUBJKZWHTAE-YOEHRIQHSA-N 1 2 346.450 3.887 20 0 EHADLO CC(C)c1cc(N[C@H]2CCCO[C@@H]2c2nccn2C)nc(C(C)C)[nH+]1 ZINC000275636923 1017852086 /nfs/dbraw/zinc/85/20/86/1017852086.db2.gz STNXNOOQHMHXLS-YOEHRIQHSA-N 1 2 343.475 3.789 20 0 EHADLO OC1(C(F)(F)F)CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000537425889 1032725664 /nfs/dbraw/zinc/72/56/64/1032725664.db2.gz UMZKUKAGCUPDFE-UHFFFAOYSA-N 1 2 343.393 3.720 20 0 EHADLO c1cn(-c2ccc(CN3CCCC[C@H]3c3noc(C4CC4)n3)cc2)c[nH+]1 ZINC000377492434 1017901347 /nfs/dbraw/zinc/90/13/47/1017901347.db2.gz VLMQBKUFISROAM-SFHVURJKSA-N 1 2 349.438 3.860 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(F)cn1 ZINC000547980651 1017906383 /nfs/dbraw/zinc/90/63/83/1017906383.db2.gz KDRGHZRTOZGVIN-SECBINFHSA-N 1 2 327.172 3.973 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(Br)cn1)c1c(F)cccc1F ZINC000070396396 1017930621 /nfs/dbraw/zinc/93/06/21/1017930621.db2.gz QWYWZTZRNHBVQC-VIFPVBQESA-N 1 2 327.172 3.973 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000092223837 1032731476 /nfs/dbraw/zinc/73/14/76/1032731476.db2.gz SECHSPZRYBYLGS-OAHLLOKOSA-N 1 2 325.441 3.578 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000092223837 1032731490 /nfs/dbraw/zinc/73/14/90/1032731490.db2.gz SECHSPZRYBYLGS-OAHLLOKOSA-N 1 2 325.441 3.578 20 0 EHADLO CCC[C@@]1(CO)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000580001319 1018010114 /nfs/dbraw/zinc/01/01/14/1018010114.db2.gz WYEZQNSYKNDRBD-QGZVFWFLSA-N 1 2 349.272 3.986 20 0 EHADLO CN(C)c1ccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000377591415 1018032213 /nfs/dbraw/zinc/03/22/13/1018032213.db2.gz QLAFTYALNSHMEI-INIZCTEOSA-N 1 2 349.438 3.582 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000343847012 1018054913 /nfs/dbraw/zinc/05/49/13/1018054913.db2.gz DVOUTSISDKMSIH-MRVPVSSYSA-N 1 2 334.338 3.644 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)on1 ZINC000047273966 1018088369 /nfs/dbraw/zinc/08/83/69/1018088369.db2.gz LZGHDUFZUVCQKA-MRXNPFEDSA-N 1 2 327.428 3.684 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)on1 ZINC000047273966 1018088384 /nfs/dbraw/zinc/08/83/84/1018088384.db2.gz LZGHDUFZUVCQKA-MRXNPFEDSA-N 1 2 327.428 3.684 20 0 EHADLO O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047409906 1018119272 /nfs/dbraw/zinc/11/92/72/1018119272.db2.gz ARCPWXDFJGYVAA-CYBMUJFWSA-N 1 2 338.436 3.546 20 0 EHADLO Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc(C)n1 ZINC000659854339 1018124351 /nfs/dbraw/zinc/12/43/51/1018124351.db2.gz ZKFHDLZQFYUEPR-GHMZBOCLSA-N 1 2 341.299 3.656 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000580022795 1018141217 /nfs/dbraw/zinc/14/12/17/1018141217.db2.gz OGDNZQVAGIYNJN-GFCCVEGCSA-N 1 2 333.229 3.625 20 0 EHADLO COC(=O)c1csc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000340495370 1018150501 /nfs/dbraw/zinc/15/05/01/1018150501.db2.gz GODTWCKQKSLJRV-QMMMGPOBSA-N 1 2 329.343 3.803 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccncc1F ZINC000340500648 1018154018 /nfs/dbraw/zinc/15/40/18/1018154018.db2.gz GFSULQPLKOWUSX-XIKOKIGWSA-N 1 2 328.366 3.534 20 0 EHADLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000377673762 1018163515 /nfs/dbraw/zinc/16/35/15/1018163515.db2.gz ISDIYGRVTLRWDF-CQSZACIVSA-N 1 2 335.473 3.662 20 0 EHADLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000377673762 1018163520 /nfs/dbraw/zinc/16/35/20/1018163520.db2.gz ISDIYGRVTLRWDF-CQSZACIVSA-N 1 2 335.473 3.662 20 0 EHADLO CC1=CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000533760230 1018227510 /nfs/dbraw/zinc/22/75/10/1018227510.db2.gz CBNAYSIMGXDEDY-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CC1=CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000533760230 1018227523 /nfs/dbraw/zinc/22/75/23/1018227523.db2.gz CBNAYSIMGXDEDY-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccnc(Cl)c1 ZINC000090450263 1018303806 /nfs/dbraw/zinc/30/38/06/1018303806.db2.gz SAEJSKHSPMWXHK-OLZOCXBDSA-N 1 2 327.819 3.728 20 0 EHADLO Cc1cc(N2CCC(c3nncn3C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000893065495 1018333866 /nfs/dbraw/zinc/33/38/66/1018333866.db2.gz NVSPRXQAMQAVFI-UHFFFAOYSA-N 1 2 340.475 3.609 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)s2)cc1 ZINC000377775853 1018349874 /nfs/dbraw/zinc/34/98/74/1018349874.db2.gz IDEOJDJRRUTPIM-RDJZCZTQSA-N 1 2 341.480 3.739 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)s2)cc1 ZINC000377775853 1018349887 /nfs/dbraw/zinc/34/98/87/1018349887.db2.gz IDEOJDJRRUTPIM-RDJZCZTQSA-N 1 2 341.480 3.739 20 0 EHADLO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000278819527 1018367443 /nfs/dbraw/zinc/36/74/43/1018367443.db2.gz CDOLPGSCYKXRDL-MXWKQRLJSA-N 1 2 349.422 3.602 20 0 EHADLO Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC000616455326 1018369206 /nfs/dbraw/zinc/36/92/06/1018369206.db2.gz QJDUDUOOMROMNR-RTBURBONSA-N 1 2 339.483 3.825 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683759545 1018371290 /nfs/dbraw/zinc/37/12/90/1018371290.db2.gz SQENKBUKBZLECL-HUUCEWRRSA-N 1 2 346.883 3.637 20 0 EHADLO O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377818373 1018419443 /nfs/dbraw/zinc/41/94/43/1018419443.db2.gz GGQCENYLUNOXDV-KRWDZBQOSA-N 1 2 347.418 3.938 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1 ZINC000377823579 1018433442 /nfs/dbraw/zinc/43/34/42/1018433442.db2.gz KXEJTABPKJSYMQ-CQSZACIVSA-N 1 2 331.847 3.577 20 0 EHADLO O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000606583613 1032768692 /nfs/dbraw/zinc/76/86/92/1032768692.db2.gz IBSNFRMWPHIUGY-UHFFFAOYSA-N 1 2 349.419 3.780 20 0 EHADLO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000683778074 1018511394 /nfs/dbraw/zinc/51/13/94/1018511394.db2.gz AVZNEHLSVMDXBT-MRVPVSSYSA-N 1 2 326.347 3.889 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)ccn12 ZINC000563897319 1032776353 /nfs/dbraw/zinc/77/63/53/1032776353.db2.gz VGWJGQWCSIJQJO-HNNXBMFYSA-N 1 2 337.423 3.921 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H]1CF ZINC000580154091 1018716836 /nfs/dbraw/zinc/71/68/36/1018716836.db2.gz AAQIQBATRLNPIA-AWEZNQCLSA-N 1 2 330.403 3.654 20 0 EHADLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]1CF ZINC000580154091 1018716847 /nfs/dbraw/zinc/71/68/47/1018716847.db2.gz AAQIQBATRLNPIA-AWEZNQCLSA-N 1 2 330.403 3.654 20 0 EHADLO CN(CC1CC1)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052073152 1018719758 /nfs/dbraw/zinc/71/97/58/1018719758.db2.gz JTSPVERMDAQUPW-SFHVURJKSA-N 1 2 346.521 3.626 20 0 EHADLO CN(CC1CC1)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052073152 1018719775 /nfs/dbraw/zinc/71/97/75/1018719775.db2.gz JTSPVERMDAQUPW-SFHVURJKSA-N 1 2 346.521 3.626 20 0 EHADLO Cc1c(Cl)cccc1NNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160417449 1018763207 /nfs/dbraw/zinc/76/32/07/1018763207.db2.gz IWDFSVXPOGLAMC-UHFFFAOYSA-N 1 2 340.814 3.650 20 0 EHADLO CCCc1ccc([C@H](NC(=O)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000052356510 1018800988 /nfs/dbraw/zinc/80/09/88/1018800988.db2.gz HAGNLWUOLYOMFZ-IBGZPJMESA-N 1 2 339.464 3.803 20 0 EHADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Br)s3)C2)no1 ZINC000375761389 1032789576 /nfs/dbraw/zinc/78/95/76/1032789576.db2.gz GHQCTILHEHBCRD-SNVBAGLBSA-N 1 2 342.262 3.582 20 0 EHADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)no1 ZINC000375761389 1032789581 /nfs/dbraw/zinc/78/95/81/1032789581.db2.gz GHQCTILHEHBCRD-SNVBAGLBSA-N 1 2 342.262 3.582 20 0 EHADLO COc1cccc(C2(F)CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC000513072844 1018891497 /nfs/dbraw/zinc/89/14/97/1018891497.db2.gz BWSUSQYPLYWUSQ-UHFFFAOYSA-N 1 2 329.419 3.876 20 0 EHADLO CC(C)=CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000509901696 1018912108 /nfs/dbraw/zinc/91/21/08/1018912108.db2.gz MKMZARNMBHAHTQ-UHFFFAOYSA-N 1 2 328.485 3.921 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)nc1Cl ZINC000064918102 1018928990 /nfs/dbraw/zinc/92/89/90/1018928990.db2.gz JFSHHGKHYOMMLP-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000172587093 1032797220 /nfs/dbraw/zinc/79/72/20/1032797220.db2.gz OXWBKYDJHIZQOG-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000172587093 1032797233 /nfs/dbraw/zinc/79/72/33/1032797233.db2.gz OXWBKYDJHIZQOG-OAHLLOKOSA-N 1 2 332.806 3.969 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n(C)n1 ZINC000340628183 1018996354 /nfs/dbraw/zinc/99/63/54/1018996354.db2.gz PEYMLFRIDSZSEM-HXUWFJFHSA-N 1 2 348.450 3.507 20 0 EHADLO Cc1cn2cc(NC(=O)Nc3ccc(O)cc3OC(C)C)ccc2[nH+]1 ZINC000433521510 1019047422 /nfs/dbraw/zinc/04/74/22/1019047422.db2.gz MUGQPBAPGKNCGE-UHFFFAOYSA-N 1 2 340.383 3.780 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340645409 1019062062 /nfs/dbraw/zinc/06/20/62/1019062062.db2.gz WCXQJTYOXVKCIU-INIZCTEOSA-N 1 2 331.419 3.681 20 0 EHADLO COc1ccccc1C[NH+]1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001203433983 1019159890 /nfs/dbraw/zinc/15/98/90/1019159890.db2.gz GHTZFVMLGCZMEU-UHFFFAOYSA-N 1 2 346.471 3.671 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000729251172 1019250042 /nfs/dbraw/zinc/25/00/42/1019250042.db2.gz NCLGSRUYABPVHA-OAHLLOKOSA-N 1 2 342.458 3.777 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)s1 ZINC000078288111 1019275627 /nfs/dbraw/zinc/27/56/27/1019275627.db2.gz ZTVIHSIGVBZNJR-UHFFFAOYSA-N 1 2 325.437 3.540 20 0 EHADLO COc1ccc(OC)c(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000255500928 1019278653 /nfs/dbraw/zinc/27/86/53/1019278653.db2.gz YXKXFFJRNOQQSB-YHYXMXQVSA-N 1 2 349.390 3.541 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000070891584 1019317468 /nfs/dbraw/zinc/31/74/68/1019317468.db2.gz HPVYKPLTKGJCBV-UHFFFAOYSA-N 1 2 347.827 3.929 20 0 EHADLO Cc1oc(-c2ccsc2)nc1CO[NH+]=C(N)Cc1ccccc1 ZINC000726787473 1019324124 /nfs/dbraw/zinc/32/41/24/1019324124.db2.gz MFIFJXGTROSZMG-UHFFFAOYSA-N 1 2 327.409 3.953 20 0 EHADLO CCCCSCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729410268 1019350222 /nfs/dbraw/zinc/35/02/22/1019350222.db2.gz VJSAJTGGJNYNBB-HNNXBMFYSA-N 1 2 336.501 3.552 20 0 EHADLO COc1cccc2c(N[C@@H]3CCO[C@]4(CCSC4)C3)cc[nH+]c12 ZINC000275885756 1019392243 /nfs/dbraw/zinc/39/22/43/1019392243.db2.gz XEFDGNOYRAHGKF-FZKQIMNGSA-N 1 2 330.453 3.710 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000564429979 1019407612 /nfs/dbraw/zinc/40/76/12/1019407612.db2.gz OOVMLPGRUGOSLJ-MRXNPFEDSA-N 1 2 340.471 3.838 20 0 EHADLO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528793431 1032832687 /nfs/dbraw/zinc/83/26/87/1032832687.db2.gz MQGDRBKHXLZVKI-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO CCC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000433628749 1019466489 /nfs/dbraw/zinc/46/64/89/1019466489.db2.gz PEQZWGZFOSJWQY-INIZCTEOSA-N 1 2 328.485 3.983 20 0 EHADLO CCC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000433628749 1019466497 /nfs/dbraw/zinc/46/64/97/1019466497.db2.gz PEQZWGZFOSJWQY-INIZCTEOSA-N 1 2 328.485 3.983 20 0 EHADLO CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433628903 1019467580 /nfs/dbraw/zinc/46/75/80/1019467580.db2.gz PYXHXZQLDXOFCW-ROUUACIJSA-N 1 2 340.471 3.781 20 0 EHADLO CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433628903 1019467591 /nfs/dbraw/zinc/46/75/91/1019467591.db2.gz PYXHXZQLDXOFCW-ROUUACIJSA-N 1 2 340.471 3.781 20 0 EHADLO Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528793431 1032832699 /nfs/dbraw/zinc/83/26/99/1032832699.db2.gz MQGDRBKHXLZVKI-OAHLLOKOSA-N 1 2 348.244 3.590 20 0 EHADLO Cc1cc(C)cc(C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)c1 ZINC000891291718 1019521222 /nfs/dbraw/zinc/52/12/22/1019521222.db2.gz JYLGBERTWVSKRJ-RTBURBONSA-N 1 2 337.467 3.547 20 0 EHADLO O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000614481775 1019534622 /nfs/dbraw/zinc/53/46/22/1019534622.db2.gz WTUHEBLMBZNRAG-SJORKVTESA-N 1 2 341.499 3.896 20 0 EHADLO Cc1nc(-c2ccccc2)sc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433782515 1019606822 /nfs/dbraw/zinc/60/68/22/1019606822.db2.gz KRPFDURJOJCFQZ-UHFFFAOYSA-N 1 2 335.436 3.732 20 0 EHADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433797381 1019615610 /nfs/dbraw/zinc/61/56/10/1019615610.db2.gz WAMJLOBENOHXSY-ZUZCIYMTSA-N 1 2 330.819 3.530 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)nc1 ZINC000340727783 1019646230 /nfs/dbraw/zinc/64/62/30/1019646230.db2.gz QZTZDKHLRDMKKO-HNNXBMFYSA-N 1 2 331.847 3.729 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)nc1 ZINC000340727783 1019646239 /nfs/dbraw/zinc/64/62/39/1019646239.db2.gz QZTZDKHLRDMKKO-HNNXBMFYSA-N 1 2 331.847 3.729 20 0 EHADLO O=C(c1ccsc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528802841 1032845899 /nfs/dbraw/zinc/84/58/99/1032845899.db2.gz RHYCZUNGPPQOQV-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO O=C(c1ccsc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528802841 1032845910 /nfs/dbraw/zinc/84/59/10/1032845910.db2.gz RHYCZUNGPPQOQV-UHFFFAOYSA-N 1 2 329.347 3.510 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccco1 ZINC000255617083 1019679141 /nfs/dbraw/zinc/67/91/41/1019679141.db2.gz HTEMGULBRIHAFC-VOCYLRNQSA-N 1 2 333.391 3.842 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000656255214 1019690448 /nfs/dbraw/zinc/69/04/48/1019690448.db2.gz LXYKLGZGAPYTCY-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000656255214 1019690455 /nfs/dbraw/zinc/69/04/55/1019690455.db2.gz LXYKLGZGAPYTCY-HXUWFJFHSA-N 1 2 337.423 3.656 20 0 EHADLO CO[C@@H]1CCC[C@H]([C@H](CO)Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664198689 1019735727 /nfs/dbraw/zinc/73/57/27/1019735727.db2.gz GOADJUYBQMXIRU-AHIWAGSCSA-N 1 2 334.847 3.866 20 0 EHADLO C[C@H]1CCC[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000079102419 1019746613 /nfs/dbraw/zinc/74/66/13/1019746613.db2.gz BBDNJMMWZRWCKV-WMZOPIPTSA-N 1 2 344.503 3.792 20 0 EHADLO CSCc1cccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000593293103 1032854096 /nfs/dbraw/zinc/85/40/96/1032854096.db2.gz GBAACTUOXPEGAW-UHFFFAOYSA-N 1 2 340.452 3.723 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000122983787 1019810237 /nfs/dbraw/zinc/81/02/37/1019810237.db2.gz XQUYMXBMEOYESU-PHIMTYICSA-N 1 2 329.425 3.617 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000122983787 1019810259 /nfs/dbraw/zinc/81/02/59/1019810259.db2.gz XQUYMXBMEOYESU-PHIMTYICSA-N 1 2 329.425 3.617 20 0 EHADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684025778 1019855926 /nfs/dbraw/zinc/85/59/26/1019855926.db2.gz SDMWWOCZZKMQSS-CQSZACIVSA-N 1 2 326.469 3.503 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000434081493 1019944155 /nfs/dbraw/zinc/94/41/55/1019944155.db2.gz RKLOZQNCLKAYFP-UHFFFAOYSA-N 1 2 328.485 3.765 20 0 EHADLO CC(C)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000434081493 1019944158 /nfs/dbraw/zinc/94/41/58/1019944158.db2.gz RKLOZQNCLKAYFP-UHFFFAOYSA-N 1 2 328.485 3.765 20 0 EHADLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986910 1019956603 /nfs/dbraw/zinc/95/66/03/1019956603.db2.gz INMFACDVPQGMJM-IRXDYDNUSA-N 1 2 345.418 3.783 20 0 EHADLO CC(C)c1nnc([C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CCO2)o1 ZINC000279986910 1019956611 /nfs/dbraw/zinc/95/66/11/1019956611.db2.gz INMFACDVPQGMJM-IRXDYDNUSA-N 1 2 345.418 3.783 20 0 EHADLO Cc1nc2c(c(N3CCC(CCCn4cc[nH+]c4)CC3)n1)CCCC2 ZINC000340776414 1019978468 /nfs/dbraw/zinc/97/84/68/1019978468.db2.gz JHPPFZPQFNSVMZ-UHFFFAOYSA-N 1 2 339.487 3.557 20 0 EHADLO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345126895 1019982312 /nfs/dbraw/zinc/98/23/12/1019982312.db2.gz NZSOBLSYVTUDSO-GOSISDBHSA-N 1 2 348.406 3.762 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC=C(c3ccco3)C2)o1 ZINC000375632704 1020017427 /nfs/dbraw/zinc/01/74/27/1020017427.db2.gz VZVGFGMKIYAVII-UHFFFAOYSA-N 1 2 335.407 3.851 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCC=C(c3ccco3)C2)o1 ZINC000375632704 1020017435 /nfs/dbraw/zinc/01/74/35/1020017435.db2.gz VZVGFGMKIYAVII-UHFFFAOYSA-N 1 2 335.407 3.851 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[C@H](C)C2)c(C)c1 ZINC000345258746 1020116415 /nfs/dbraw/zinc/11/64/15/1020116415.db2.gz XQZWRSJZQQGMRW-IEZWGBDMSA-N 1 2 325.456 3.794 20 0 EHADLO CCC(CC)n1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1C ZINC000345328321 1020173065 /nfs/dbraw/zinc/17/30/65/1020173065.db2.gz WMTLCZGZCPSKDC-UHFFFAOYSA-N 1 2 337.427 3.991 20 0 EHADLO O=C(Nc1cccc2c1CCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127300114 1020194712 /nfs/dbraw/zinc/19/47/12/1020194712.db2.gz CQBLBVLSZKLMJI-QGZVFWFLSA-N 1 2 337.423 3.646 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC[C@@H]1CCO1 ZINC000602453605 1032882986 /nfs/dbraw/zinc/88/29/86/1032882986.db2.gz IKYZDPGUDFOTAJ-DOMZBBRYSA-N 1 2 346.254 3.708 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[C@@H]1CCO1 ZINC000602453605 1032883004 /nfs/dbraw/zinc/88/30/04/1032883004.db2.gz IKYZDPGUDFOTAJ-DOMZBBRYSA-N 1 2 346.254 3.708 20 0 EHADLO O=C(C[C@@H]1CCCc2ccccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345453358 1020266298 /nfs/dbraw/zinc/26/62/98/1020266298.db2.gz SLAUYVKLXODZAI-HKUYNNGSSA-N 1 2 336.435 3.572 20 0 EHADLO Cn1ncc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)c1C(F)(F)F ZINC000127652826 1020279792 /nfs/dbraw/zinc/27/97/92/1020279792.db2.gz QRCJRFQBTXGXBQ-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cn1ncc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c1C(F)(F)F ZINC000127652826 1020279808 /nfs/dbraw/zinc/27/98/08/1020279808.db2.gz QRCJRFQBTXGXBQ-UHFFFAOYSA-N 1 2 335.732 3.863 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000280343966 1020302877 /nfs/dbraw/zinc/30/28/77/1020302877.db2.gz WORLIXTVTHFJQJ-INIZCTEOSA-N 1 2 332.407 3.839 20 0 EHADLO CCOCC[N@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000093312527 1032893707 /nfs/dbraw/zinc/89/37/07/1032893707.db2.gz WGFZQBFABBENQI-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO CCOCC[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000093312527 1032893725 /nfs/dbraw/zinc/89/37/25/1032893725.db2.gz WGFZQBFABBENQI-UHFFFAOYSA-N 1 2 330.215 3.512 20 0 EHADLO CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)c3cccc1c32 ZINC000345626674 1020401783 /nfs/dbraw/zinc/40/17/83/1020401783.db2.gz PEJJAYFOELAWRF-VKJFTORMSA-N 1 2 349.478 3.862 20 0 EHADLO C[C@@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627553 1020403010 /nfs/dbraw/zinc/40/30/10/1020403010.db2.gz PTCWZKBWISHNSO-QFBILLFUSA-N 1 2 340.492 3.558 20 0 EHADLO C[C@@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)Sc1ccccc1 ZINC000345627553 1020403017 /nfs/dbraw/zinc/40/30/17/1020403017.db2.gz PTCWZKBWISHNSO-QFBILLFUSA-N 1 2 340.492 3.558 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)c1 ZINC000280506995 1020447130 /nfs/dbraw/zinc/44/71/30/1020447130.db2.gz NHPIEWZIKFQFOD-UHFFFAOYSA-N 1 2 342.483 3.850 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)n(C(C)C)c2C)c1C ZINC000050771815 1020482059 /nfs/dbraw/zinc/48/20/59/1020482059.db2.gz WTOPBDWSDMZAOU-UHFFFAOYSA-N 1 2 329.444 3.636 20 0 EHADLO O=C(Nc1ccc(C(F)F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000933095560 1020495375 /nfs/dbraw/zinc/49/53/75/1020495375.db2.gz CCAHSEXDWQLOSL-OAHLLOKOSA-N 1 2 333.338 3.704 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2)sc1C ZINC000280613671 1020526406 /nfs/dbraw/zinc/52/64/06/1020526406.db2.gz XUXISOCYAVKLBV-HNNXBMFYSA-N 1 2 346.452 3.584 20 0 EHADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2)sc1C ZINC000280613671 1020526414 /nfs/dbraw/zinc/52/64/14/1020526414.db2.gz XUXISOCYAVKLBV-HNNXBMFYSA-N 1 2 346.452 3.584 20 0 EHADLO Cc1cc(F)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000656445763 1020587976 /nfs/dbraw/zinc/58/79/76/1020587976.db2.gz SSBOOADTPKJPJU-AWEZNQCLSA-N 1 2 339.760 3.923 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000156090280 1020599870 /nfs/dbraw/zinc/59/98/70/1020599870.db2.gz IEYKXQGWARAAEN-KRWDZBQOSA-N 1 2 328.366 3.816 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000156090280 1020599877 /nfs/dbraw/zinc/59/98/77/1020599877.db2.gz IEYKXQGWARAAEN-KRWDZBQOSA-N 1 2 328.366 3.816 20 0 EHADLO O=C(Cn1cc[nH+]c1)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000581267117 1020612916 /nfs/dbraw/zinc/61/29/16/1020612916.db2.gz DOMZCFDRKIOHCN-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc(C2CC2)c1 ZINC000581320655 1020683260 /nfs/dbraw/zinc/68/32/60/1020683260.db2.gz KMVHOGPTXWJQMA-DLBZAZTESA-N 1 2 325.412 3.540 20 0 EHADLO c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc(C2CC2)c1 ZINC000581320655 1020683264 /nfs/dbraw/zinc/68/32/64/1020683264.db2.gz KMVHOGPTXWJQMA-DLBZAZTESA-N 1 2 325.412 3.540 20 0 EHADLO CC(C)n1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000276137137 1020693072 /nfs/dbraw/zinc/69/30/72/1020693072.db2.gz CAVQWHFIUOCSTJ-UHFFFAOYSA-N 1 2 347.422 3.632 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)nc1 ZINC000069219604 1020766984 /nfs/dbraw/zinc/76/69/84/1020766984.db2.gz OQISSAZLPVAVQL-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)nc1 ZINC000069219604 1020766988 /nfs/dbraw/zinc/76/69/88/1020766988.db2.gz OQISSAZLPVAVQL-UHFFFAOYSA-N 1 2 347.846 3.594 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000089854466 1020784599 /nfs/dbraw/zinc/78/45/99/1020784599.db2.gz HAIVJCRYXFSWFF-UHFFFAOYSA-N 1 2 333.382 3.527 20 0 EHADLO CCCCc1noc([C@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)n1 ZINC000528851705 1032930975 /nfs/dbraw/zinc/93/09/75/1032930975.db2.gz XOHIKDWNVWZPPP-YVEFUNNKSA-N 1 2 330.432 3.618 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1cc(-c3ccccc3Cl)on1)C2 ZINC000933256278 1020830162 /nfs/dbraw/zinc/83/01/62/1020830162.db2.gz ZCJUCHDNQYISHI-UHFFFAOYSA-N 1 2 342.830 3.770 20 0 EHADLO CCOc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc(Cl)c1O ZINC000656534186 1020861485 /nfs/dbraw/zinc/86/14/85/1020861485.db2.gz HWPOTGVEOJYYHJ-NSHDSACASA-N 1 2 335.778 3.648 20 0 EHADLO CCOc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc(Cl)c1O ZINC000656534186 1020861493 /nfs/dbraw/zinc/86/14/93/1020861493.db2.gz HWPOTGVEOJYYHJ-NSHDSACASA-N 1 2 335.778 3.648 20 0 EHADLO Fc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000276288747 1020997402 /nfs/dbraw/zinc/99/74/02/1020997402.db2.gz SRWAQGCMIFESQW-BHIYHBOVSA-N 1 2 336.414 3.959 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581545477 1021073043 /nfs/dbraw/zinc/07/30/43/1021073043.db2.gz NYPUEHYEJIFRMH-PZJWPPBQSA-N 1 2 336.410 3.848 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3sc(Cl)cc3C2)cc(C)[nH+]1 ZINC000581545508 1021073192 /nfs/dbraw/zinc/07/31/92/1021073192.db2.gz OTRNLHISRCKETN-UHFFFAOYSA-N 1 2 335.860 3.681 20 0 EHADLO COc1ccccc1C1(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000343798664 1032953523 /nfs/dbraw/zinc/95/35/23/1032953523.db2.gz PVZFIQUPOBKJLS-LJQANCHMSA-N 1 2 348.450 3.614 20 0 EHADLO Cc1ccnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000341201958 1021092763 /nfs/dbraw/zinc/09/27/63/1021092763.db2.gz AFXPCINRZPIDLX-MRXNPFEDSA-N 1 2 346.434 3.888 20 0 EHADLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)c1 ZINC000276361402 1021098191 /nfs/dbraw/zinc/09/81/91/1021098191.db2.gz VXBNKBVZAKOGQT-ZIAGYGMSSA-N 1 2 329.448 3.599 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2C=CCCC2)C[C@H](C)O1 ZINC000246487320 1021125079 /nfs/dbraw/zinc/12/50/79/1021125079.db2.gz ICIIBXRMNFTQBC-SOLBZPMBSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2C=CCCC2)C[C@H](C)O1 ZINC000246487320 1021125082 /nfs/dbraw/zinc/12/50/82/1021125082.db2.gz ICIIBXRMNFTQBC-SOLBZPMBSA-N 1 2 343.471 3.526 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cc(Cl)ccc1F ZINC000656681273 1021159536 /nfs/dbraw/zinc/15/95/36/1021159536.db2.gz CLYSAEQWSYSCJE-IUCAKERBSA-N 1 2 327.812 3.613 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341247097 1021178171 /nfs/dbraw/zinc/17/81/71/1021178171.db2.gz NWSSIFJOHJXKLS-UHFFFAOYSA-N 1 2 325.456 3.833 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)no1 ZINC000518454004 1021191820 /nfs/dbraw/zinc/19/18/20/1021191820.db2.gz VTBLAYHRMZPWJM-QGZVFWFLSA-N 1 2 343.471 3.876 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)no1 ZINC000518454004 1021191826 /nfs/dbraw/zinc/19/18/26/1021191826.db2.gz VTBLAYHRMZPWJM-QGZVFWFLSA-N 1 2 343.471 3.876 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)ccc2[nH+]1 ZINC000439170377 1021210293 /nfs/dbraw/zinc/21/02/93/1021210293.db2.gz OYOIGSGYSFBSJH-WIYYLYMNSA-N 1 2 331.419 3.875 20 0 EHADLO C[C@@H]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516242319 1021211590 /nfs/dbraw/zinc/21/15/90/1021211590.db2.gz DHDSFFGEUMHJKV-IAGOWNOFSA-N 1 2 344.503 3.697 20 0 EHADLO CC(C)c1nnc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)s1 ZINC000295996276 1021231710 /nfs/dbraw/zinc/23/17/10/1021231710.db2.gz MHXBXFXWVLQWMC-UHFFFAOYSA-N 1 2 349.475 3.982 20 0 EHADLO CC(C)c1nnc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)s1 ZINC000295996276 1021231721 /nfs/dbraw/zinc/23/17/21/1021231721.db2.gz MHXBXFXWVLQWMC-UHFFFAOYSA-N 1 2 349.475 3.982 20 0 EHADLO C[C@H](CCNC(=O)c1c(O)cc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000436836379 1021269686 /nfs/dbraw/zinc/26/96/86/1021269686.db2.gz CCWFKQUERVXWDM-LLVKDONJSA-N 1 2 345.270 3.693 20 0 EHADLO CCCc1csc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)n1 ZINC000581652877 1021281600 /nfs/dbraw/zinc/28/16/00/1021281600.db2.gz VHIAKQCUHLBFMA-DZGCQCFKSA-N 1 2 338.498 3.520 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000664868978 1021282648 /nfs/dbraw/zinc/28/26/48/1021282648.db2.gz SJNBZBFWINKTBQ-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000664868978 1021282657 /nfs/dbraw/zinc/28/26/57/1021282657.db2.gz SJNBZBFWINKTBQ-UHFFFAOYSA-N 1 2 348.450 3.586 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000656772880 1021317448 /nfs/dbraw/zinc/31/74/48/1021317448.db2.gz YGRFUINRMIAPJO-QGZVFWFLSA-N 1 2 337.423 3.836 20 0 EHADLO COC[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000439283276 1021320121 /nfs/dbraw/zinc/32/01/21/1021320121.db2.gz JDZLBKMWBUWUIY-NEPJUHHUSA-N 1 2 325.861 3.790 20 0 EHADLO COC[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000439283276 1021320138 /nfs/dbraw/zinc/32/01/38/1021320138.db2.gz JDZLBKMWBUWUIY-NEPJUHHUSA-N 1 2 325.861 3.790 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000664869888 1021321152 /nfs/dbraw/zinc/32/11/52/1021321152.db2.gz VKYYFTUHNZIMSP-UHFFFAOYSA-N 1 2 328.441 3.711 20 0 EHADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000664869888 1021321172 /nfs/dbraw/zinc/32/11/72/1021321172.db2.gz VKYYFTUHNZIMSP-UHFFFAOYSA-N 1 2 328.441 3.711 20 0 EHADLO Cc1ncoc1C[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844692 1021328062 /nfs/dbraw/zinc/32/80/62/1021328062.db2.gz UVJFSAOVQNNNSH-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000894844692 1021328078 /nfs/dbraw/zinc/32/80/78/1021328078.db2.gz UVJFSAOVQNNNSH-BDJLRTHQSA-N 1 2 340.345 3.964 20 0 EHADLO c1csc([C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)c2nnc[nH]2)c1 ZINC000518575094 1021332465 /nfs/dbraw/zinc/33/24/65/1021332465.db2.gz LSZSMCFNPSYMNW-VSIZIWLYSA-N 1 2 328.485 3.618 20 0 EHADLO CCOC(=O)c1ccc(CNc2[nH+]c3cc(F)ccc3n2CC)o1 ZINC000187955928 1021380215 /nfs/dbraw/zinc/38/02/15/1021380215.db2.gz OFXJRNYCXLABEB-UHFFFAOYSA-N 1 2 331.347 3.577 20 0 EHADLO Cc1ccccc1-c1noc(C[NH2+][C@@]2(C)CCOc3ccccc32)n1 ZINC000933363668 1021380965 /nfs/dbraw/zinc/38/09/65/1021380965.db2.gz CWTHLUYQBQUARS-FQEVSTJZSA-N 1 2 335.407 3.833 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436942353 1021404334 /nfs/dbraw/zinc/40/43/34/1021404334.db2.gz VIZGCTZYEGJKKD-GFCCVEGCSA-N 1 2 342.842 3.569 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436942353 1021404338 /nfs/dbraw/zinc/40/43/38/1021404338.db2.gz VIZGCTZYEGJKKD-GFCCVEGCSA-N 1 2 342.842 3.569 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000638318298 1021410609 /nfs/dbraw/zinc/41/06/09/1021410609.db2.gz QGDXXLLBEBOIHN-FZKQIMNGSA-N 1 2 342.443 3.548 20 0 EHADLO COc1cccc([C@@H](C)N2CC[NH+](Cc3c(C)nsc3C)CC2)c1 ZINC000516446423 1021435422 /nfs/dbraw/zinc/43/54/22/1021435422.db2.gz WPYSQZUESNJJLH-OAHLLOKOSA-N 1 2 345.512 3.647 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000760471937 1032979467 /nfs/dbraw/zinc/97/94/67/1032979467.db2.gz WZVSEGOKVHUQQP-ZDUSSCGKSA-N 1 2 342.830 3.780 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cnn1C(C)(C)C ZINC000276475362 1021443951 /nfs/dbraw/zinc/44/39/51/1021443951.db2.gz FDZRGSPKDDYICL-MEDUHNTESA-N 1 2 337.414 3.609 20 0 EHADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000276476492 1021449789 /nfs/dbraw/zinc/44/97/89/1021449789.db2.gz ZQWVQANFYPLLMR-JTQLQIEISA-N 1 2 327.302 3.936 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1C[C@@H]2CCC[C@@H]21 ZINC000425669841 1021450810 /nfs/dbraw/zinc/45/08/10/1021450810.db2.gz DJFJPBNNSSBHJU-KSSFIOAISA-N 1 2 336.439 3.903 20 0 EHADLO C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000439492973 1021483272 /nfs/dbraw/zinc/48/32/72/1021483272.db2.gz CNCBCYJNNBWVFY-CVEARBPZSA-N 1 2 342.443 3.520 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccccc1Cl ZINC000656858697 1021493069 /nfs/dbraw/zinc/49/30/69/1021493069.db2.gz XUOGLQMRGGDQBW-ZDUSSCGKSA-N 1 2 345.830 3.561 20 0 EHADLO C[C@@]1([NH2+]Cc2nc(-c3ccccc3F)no2)CCOc2ccccc21 ZINC000933372693 1021497345 /nfs/dbraw/zinc/49/73/45/1021497345.db2.gz XNXYGOUSXBTRHD-LJQANCHMSA-N 1 2 339.370 3.663 20 0 EHADLO Cc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000139480708 1032983849 /nfs/dbraw/zinc/98/38/49/1032983849.db2.gz MAECVNKEBRXJPX-KRWDZBQOSA-N 1 2 348.450 3.928 20 0 EHADLO CC(C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000516518030 1021508814 /nfs/dbraw/zinc/50/88/14/1021508814.db2.gz CRBXHBFFRPDBCF-LJQANCHMSA-N 1 2 339.483 3.901 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)CCCc1ccccc1)Cn1cc[nH+]c1 ZINC000473870636 1021514291 /nfs/dbraw/zinc/51/42/91/1021514291.db2.gz YTOAXFGZKVKVDC-KRWDZBQOSA-N 1 2 327.472 3.685 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1F ZINC000139544493 1032985031 /nfs/dbraw/zinc/98/50/31/1032985031.db2.gz OLHUTDJEXUXADW-UHFFFAOYSA-N 1 2 340.398 3.568 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1F ZINC000139544493 1032985041 /nfs/dbraw/zinc/98/50/41/1032985041.db2.gz OLHUTDJEXUXADW-UHFFFAOYSA-N 1 2 340.398 3.568 20 0 EHADLO Cc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)C2 ZINC000729479367 1021560372 /nfs/dbraw/zinc/56/03/72/1021560372.db2.gz INLJUYVERKKVME-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO Cc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cc(F)ccc1F)C2 ZINC000729479367 1021560378 /nfs/dbraw/zinc/56/03/78/1021560378.db2.gz INLJUYVERKKVME-CYBMUJFWSA-N 1 2 330.378 3.659 20 0 EHADLO CC[C@H](F)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000440523010 1021584238 /nfs/dbraw/zinc/58/42/38/1021584238.db2.gz XPCCONDRRZJPJF-SKDRFNHKSA-N 1 2 342.212 3.898 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c(C)c1 ZINC000528878304 1032994617 /nfs/dbraw/zinc/99/46/17/1032994617.db2.gz DOGYFYYWEHRUEV-XWPNQZOQSA-N 1 2 337.467 3.650 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518841113 1021620264 /nfs/dbraw/zinc/62/02/64/1021620264.db2.gz ILUUIINNTHARBM-WDEREUQCSA-N 1 2 346.805 3.653 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518841113 1021620267 /nfs/dbraw/zinc/62/02/67/1021620267.db2.gz ILUUIINNTHARBM-WDEREUQCSA-N 1 2 346.805 3.653 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1Cc2ccc(F)cc21 ZINC000684404645 1021629803 /nfs/dbraw/zinc/62/98/03/1021629803.db2.gz QHLTWMMAMUYTRU-MRXNPFEDSA-N 1 2 345.443 3.547 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc3ccccc3n2)c1C ZINC000064998903 1021679897 /nfs/dbraw/zinc/67/98/97/1021679897.db2.gz LZIDWVFOVOBWKL-ZHACJKMWSA-N 1 2 347.418 3.585 20 0 EHADLO C[C@@H](CC(=O)N1CC=C(c2ccccc2Cl)CC1)n1cc[nH+]c1 ZINC000516773914 1021731353 /nfs/dbraw/zinc/73/13/53/1021731353.db2.gz CNXAYBFENLPNAD-AWEZNQCLSA-N 1 2 329.831 3.804 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]2CCC[C@H]21 ZINC000440714706 1021734867 /nfs/dbraw/zinc/73/48/67/1021734867.db2.gz QJTLSQCBBYJZHF-GOEBONIOSA-N 1 2 348.516 3.925 20 0 EHADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000449667472 1033007070 /nfs/dbraw/zinc/00/70/70/1033007070.db2.gz UWHQEBSRIPPKFU-ZOODHJKOSA-N 1 2 340.261 3.625 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439957054 1021858232 /nfs/dbraw/zinc/85/82/32/1021858232.db2.gz IGOHEIQQGAYYDJ-QMMMGPOBSA-N 1 2 331.178 3.539 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000516936678 1021870797 /nfs/dbraw/zinc/87/07/97/1021870797.db2.gz KOLTXVJLTDVAED-CYBMUJFWSA-N 1 2 339.361 3.570 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000516936678 1021870811 /nfs/dbraw/zinc/87/08/11/1021870811.db2.gz KOLTXVJLTDVAED-CYBMUJFWSA-N 1 2 339.361 3.570 20 0 EHADLO Cc1ccc2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2c1 ZINC000289926118 1021876693 /nfs/dbraw/zinc/87/66/93/1021876693.db2.gz OVHHCKQUMYAUBP-UHFFFAOYSA-N 1 2 337.448 3.567 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)n2)cc1 ZINC000933494293 1021881883 /nfs/dbraw/zinc/88/18/83/1021881883.db2.gz YVIMVVHJWOOTCO-CQSZACIVSA-N 1 2 335.407 3.831 20 0 EHADLO CCc1[nH]nc(Cl)c1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000891547637 1021889033 /nfs/dbraw/zinc/88/90/33/1021889033.db2.gz FVDOXGIBTMYEGE-UHFFFAOYSA-N 1 2 331.847 3.720 20 0 EHADLO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000440018210 1021890987 /nfs/dbraw/zinc/89/09/87/1021890987.db2.gz GHTMJVJBHZXFIH-ZDUSSCGKSA-N 1 2 345.874 3.580 20 0 EHADLO C[C@H]1CCCN1C(=O)CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000440018210 1021891000 /nfs/dbraw/zinc/89/10/00/1021891000.db2.gz GHTMJVJBHZXFIH-ZDUSSCGKSA-N 1 2 345.874 3.580 20 0 EHADLO CO[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188221627 1021936303 /nfs/dbraw/zinc/93/63/03/1021936303.db2.gz OVMYSKGSEFMESX-QZTJIDSGSA-N 1 2 343.377 3.755 20 0 EHADLO CCOc1ccc2c(c1)CC[N@@H+](Cc1nc3cc(F)ccc3o1)C2 ZINC000441060429 1021948602 /nfs/dbraw/zinc/94/86/02/1021948602.db2.gz FDHGVVZWRHFIIH-UHFFFAOYSA-N 1 2 326.371 3.924 20 0 EHADLO CCOc1ccc2c(c1)CC[N@H+](Cc1nc3cc(F)ccc3o1)C2 ZINC000441060429 1021948611 /nfs/dbraw/zinc/94/86/11/1021948611.db2.gz FDHGVVZWRHFIIH-UHFFFAOYSA-N 1 2 326.371 3.924 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1scnc1C ZINC000426574412 1021959372 /nfs/dbraw/zinc/95/93/72/1021959372.db2.gz XOZVIPGRDNQHPP-UHFFFAOYSA-N 1 2 349.481 3.817 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1scnc1C ZINC000426574412 1021959391 /nfs/dbraw/zinc/95/93/91/1021959391.db2.gz XOZVIPGRDNQHPP-UHFFFAOYSA-N 1 2 349.481 3.817 20 0 EHADLO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c21 ZINC000437582555 1021974622 /nfs/dbraw/zinc/97/46/22/1021974622.db2.gz YRTLEXDMFLQSAE-UHFFFAOYSA-N 1 2 348.406 3.933 20 0 EHADLO CCOC(=O)[C@H]([NH2+]Cc1c(C)c(C)c(C)c(C)c1C)C1CCOCC1 ZINC000579163099 1021975908 /nfs/dbraw/zinc/97/59/08/1021975908.db2.gz DTGCUNJFOMLDPH-HXUWFJFHSA-N 1 2 347.499 3.677 20 0 EHADLO Cc1cc(CNC(=O)C2(Oc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000581878242 1021982163 /nfs/dbraw/zinc/98/21/63/1021982163.db2.gz NSOIQWHPOGHWFS-UHFFFAOYSA-N 1 2 330.815 3.580 20 0 EHADLO CCOC(=O)[C@H]1CC[C@@H](Nc2cc(COC)cc[nH+]2)c2ccccc21 ZINC000593725984 1033020205 /nfs/dbraw/zinc/02/02/05/1033020205.db2.gz ULIJZGYVTQWRDQ-ZWKOTPCHSA-N 1 2 340.423 3.822 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C)c3)c2C1 ZINC000171346178 1033020636 /nfs/dbraw/zinc/02/06/36/1033020636.db2.gz DSHAMUCBWLWQNQ-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C)c3)c2C1 ZINC000171346178 1033020652 /nfs/dbraw/zinc/02/06/52/1033020652.db2.gz DSHAMUCBWLWQNQ-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441124828 1021999479 /nfs/dbraw/zinc/99/94/79/1021999479.db2.gz OECSONQDLXRQIA-LSDHHAIUSA-N 1 2 327.877 3.772 20 0 EHADLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC[C@H](SC)C1 ZINC000441124828 1021999486 /nfs/dbraw/zinc/99/94/86/1021999486.db2.gz OECSONQDLXRQIA-LSDHHAIUSA-N 1 2 327.877 3.772 20 0 EHADLO C[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000520224470 1022053292 /nfs/dbraw/zinc/05/32/92/1022053292.db2.gz HSCLWVCOBFYYOW-WFASDCNBSA-N 1 2 336.501 3.820 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000520224470 1022053304 /nfs/dbraw/zinc/05/33/04/1022053304.db2.gz HSCLWVCOBFYYOW-WFASDCNBSA-N 1 2 336.501 3.820 20 0 EHADLO CCc1cc(N[C@@H](c2nccn2C)c2cccc(F)c2)nc(CC)[nH+]1 ZINC000891615326 1022098934 /nfs/dbraw/zinc/09/89/34/1022098934.db2.gz SXPZYTMULFICQS-GOSISDBHSA-N 1 2 339.418 3.676 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000517172952 1022105690 /nfs/dbraw/zinc/10/56/90/1022105690.db2.gz REYUEQSQQXUEFJ-OXQOHEQNSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000517172952 1022105699 /nfs/dbraw/zinc/10/56/99/1022105699.db2.gz REYUEQSQQXUEFJ-OXQOHEQNSA-N 1 2 325.456 3.559 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccc(Cl)s2)c1 ZINC000510482909 1022130808 /nfs/dbraw/zinc/13/08/08/1022130808.db2.gz SAQMGXVTURBAMT-UHFFFAOYSA-N 1 2 345.855 3.868 20 0 EHADLO Cc1ccc(NC2CCC(N3C(=O)c4ccccc4C3=O)CC2)c(C)[nH+]1 ZINC000437784294 1022137435 /nfs/dbraw/zinc/13/74/35/1022137435.db2.gz JSONUNFSLWKOIL-UHFFFAOYSA-N 1 2 349.434 3.718 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C)CCC3)n2)C1 ZINC000426653910 1022151795 /nfs/dbraw/zinc/15/17/95/1022151795.db2.gz GUUYEHUKXQVKDC-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C)CCC3)n2)C1 ZINC000426653910 1022151803 /nfs/dbraw/zinc/15/18/03/1022151803.db2.gz GUUYEHUKXQVKDC-ZDUSSCGKSA-N 1 2 336.505 3.687 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000607188513 1033032856 /nfs/dbraw/zinc/03/28/56/1033032856.db2.gz AOQPKHOXIDOCFK-HNNXBMFYSA-N 1 2 343.496 3.899 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000607188513 1033032874 /nfs/dbraw/zinc/03/28/74/1033032874.db2.gz AOQPKHOXIDOCFK-HNNXBMFYSA-N 1 2 343.496 3.899 20 0 EHADLO CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000126282917 1022193078 /nfs/dbraw/zinc/19/30/78/1022193078.db2.gz RIAUVUSJTJJUFT-WBVHZDCISA-N 1 2 341.455 3.745 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323384 1022197363 /nfs/dbraw/zinc/19/73/63/1022197363.db2.gz JZFVZFVRRJUWCH-ZWNOBZJWSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000441323384 1022197375 /nfs/dbraw/zinc/19/73/75/1022197375.db2.gz JZFVZFVRRJUWCH-ZWNOBZJWSA-N 1 2 343.324 3.897 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C2CCCC2)n1 ZINC000891645489 1022201871 /nfs/dbraw/zinc/20/18/71/1022201871.db2.gz JUQUOCWHKHPVBQ-LJQANCHMSA-N 1 2 343.446 3.790 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C2CCCC2)n1 ZINC000891645489 1022201875 /nfs/dbraw/zinc/20/18/75/1022201875.db2.gz JUQUOCWHKHPVBQ-LJQANCHMSA-N 1 2 343.446 3.790 20 0 EHADLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccco1 ZINC000008198590 1022211360 /nfs/dbraw/zinc/21/13/60/1022211360.db2.gz PDAZDPQDGALOBH-UHFFFAOYSA-N 1 2 334.419 3.617 20 0 EHADLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccco1 ZINC000008198590 1022211372 /nfs/dbraw/zinc/21/13/72/1022211372.db2.gz PDAZDPQDGALOBH-UHFFFAOYSA-N 1 2 334.419 3.617 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1Cc1ccccc1)CCO2 ZINC000341543617 1022216399 /nfs/dbraw/zinc/21/63/99/1022216399.db2.gz LDXHPWRCQOTWLW-LJQANCHMSA-N 1 2 349.434 3.553 20 0 EHADLO Cc1cnc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000894908791 1022218179 /nfs/dbraw/zinc/21/81/79/1022218179.db2.gz GLJVXOIMKPISLX-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO Cc1cnc(Cl)c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000894908791 1022218189 /nfs/dbraw/zinc/21/81/89/1022218189.db2.gz GLJVXOIMKPISLX-IBGZPJMESA-N 1 2 342.826 3.653 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(CC)o1 ZINC001167989746 1022228582 /nfs/dbraw/zinc/22/85/82/1022228582.db2.gz FKGYFRDVGODAHA-UHFFFAOYSA-N 1 2 335.835 3.741 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(CC)o1 ZINC001167989746 1022228599 /nfs/dbraw/zinc/22/85/99/1022228599.db2.gz FKGYFRDVGODAHA-UHFFFAOYSA-N 1 2 335.835 3.741 20 0 EHADLO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000112430177 1022249290 /nfs/dbraw/zinc/24/92/90/1022249290.db2.gz XNPVYMGOFDAPOZ-FUHWJXTLSA-N 1 2 328.460 3.619 20 0 EHADLO C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000255380390 1022255076 /nfs/dbraw/zinc/25/50/76/1022255076.db2.gz PGNDPDZZZPWQPS-VWILAXROSA-N 1 2 341.842 3.533 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)COC3CCCCC3)c2)[nH+]c1C ZINC000142480461 1033042967 /nfs/dbraw/zinc/04/29/67/1033042967.db2.gz RJMCILVGWIRZLF-UHFFFAOYSA-N 1 2 327.428 3.981 20 0 EHADLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F)CSCC2 ZINC000894940037 1022277629 /nfs/dbraw/zinc/27/76/29/1022277629.db2.gz GYAVMEYDJGWXGJ-KRWDZBQOSA-N 1 2 349.450 3.825 20 0 EHADLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F)CSCC2 ZINC000894940037 1022277636 /nfs/dbraw/zinc/27/76/36/1022277636.db2.gz GYAVMEYDJGWXGJ-KRWDZBQOSA-N 1 2 349.450 3.825 20 0 EHADLO CCO[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000471804153 1022286637 /nfs/dbraw/zinc/28/66/37/1022286637.db2.gz KZELWKAJIGRGNP-OAHLLOKOSA-N 1 2 339.505 3.519 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544263 1022302367 /nfs/dbraw/zinc/30/23/67/1022302367.db2.gz CRAFMPFESBOAOC-CHWSQXEVSA-N 1 2 338.373 3.547 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534544263 1022302383 /nfs/dbraw/zinc/30/23/83/1022302383.db2.gz CRAFMPFESBOAOC-CHWSQXEVSA-N 1 2 338.373 3.547 20 0 EHADLO Cc1cc(N[C@H](C)c2nnc3n2CCCCC3)nc(C2CCC2)[nH+]1 ZINC000891684973 1022318756 /nfs/dbraw/zinc/31/87/56/1022318756.db2.gz JTYKTNLRLLATRT-CYBMUJFWSA-N 1 2 326.448 3.544 20 0 EHADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000894468012 1022347131 /nfs/dbraw/zinc/34/71/31/1022347131.db2.gz JWFAQEWJBFXIBC-GFCCVEGCSA-N 1 2 330.453 3.659 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000341569302 1022350617 /nfs/dbraw/zinc/35/06/17/1022350617.db2.gz SVTHHAIRDGMNNE-AWEZNQCLSA-N 1 2 337.895 3.506 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000341569302 1022350632 /nfs/dbraw/zinc/35/06/32/1022350632.db2.gz SVTHHAIRDGMNNE-AWEZNQCLSA-N 1 2 337.895 3.506 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2F)o1 ZINC000894476103 1022366050 /nfs/dbraw/zinc/36/60/50/1022366050.db2.gz VPJQIFLAXLIQRQ-HNNXBMFYSA-N 1 2 349.402 3.919 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2F)o1 ZINC000894476103 1022366062 /nfs/dbraw/zinc/36/60/62/1022366062.db2.gz VPJQIFLAXLIQRQ-HNNXBMFYSA-N 1 2 349.402 3.919 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000517506464 1022401818 /nfs/dbraw/zinc/40/18/18/1022401818.db2.gz FREWGAGDDLKSBU-VQTJNVASSA-N 1 2 333.435 3.736 20 0 EHADLO Fc1cccc2[nH]c(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)cc21 ZINC000438116305 1022404359 /nfs/dbraw/zinc/40/43/59/1022404359.db2.gz JELJOIDLEZZBIE-OAQYLSRUSA-N 1 2 336.410 3.981 20 0 EHADLO Fc1cccc2[nH]c(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)cc21 ZINC000438116305 1022404367 /nfs/dbraw/zinc/40/43/67/1022404367.db2.gz JELJOIDLEZZBIE-OAQYLSRUSA-N 1 2 336.410 3.981 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000438126552 1022405212 /nfs/dbraw/zinc/40/52/12/1022405212.db2.gz YYFVJNPZZCHCSV-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cn1 ZINC000438126552 1022405226 /nfs/dbraw/zinc/40/52/26/1022405226.db2.gz YYFVJNPZZCHCSV-QFBILLFUSA-N 1 2 326.440 3.669 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822708 1022405913 /nfs/dbraw/zinc/40/59/13/1022405913.db2.gz JLFINECFQDYOOY-DLBZAZTESA-N 1 2 329.488 3.502 20 0 EHADLO CC(C)(C)CN1CCC[C@H]([N@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822708 1022405921 /nfs/dbraw/zinc/40/59/21/1022405921.db2.gz JLFINECFQDYOOY-DLBZAZTESA-N 1 2 329.488 3.502 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001141561653 1022419831 /nfs/dbraw/zinc/41/98/31/1022419831.db2.gz QCHVQIWJHGTVAN-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO Fc1cc(Br)cc(F)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001141561653 1022419834 /nfs/dbraw/zinc/41/98/34/1022419834.db2.gz QCHVQIWJHGTVAN-HNNXBMFYSA-N 1 2 346.215 3.730 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438147267 1022430753 /nfs/dbraw/zinc/43/07/53/1022430753.db2.gz CUNJHPGZZMXTTB-QEEYODRMSA-N 1 2 347.418 3.555 20 0 EHADLO CC(C)c1ccc(CN(C(=O)CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000276725310 1022433292 /nfs/dbraw/zinc/43/32/92/1022433292.db2.gz SPAOSGXGTBENTD-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2c(Cl)ccc3cccnc32)[nH]1 ZINC000657068683 1022455564 /nfs/dbraw/zinc/45/55/64/1022455564.db2.gz PVMXJZOZPKGJEF-UHFFFAOYSA-N 1 2 329.835 3.594 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000891738570 1022493895 /nfs/dbraw/zinc/49/38/95/1022493895.db2.gz JFKMYZWYSZPGMH-IBGZPJMESA-N 1 2 335.455 3.832 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000891738570 1022493900 /nfs/dbraw/zinc/49/39/00/1022493900.db2.gz JFKMYZWYSZPGMH-IBGZPJMESA-N 1 2 335.455 3.832 20 0 EHADLO Cn1ncc(Br)c1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000517655571 1022527966 /nfs/dbraw/zinc/52/79/66/1022527966.db2.gz UBXFISXMWFSVIV-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO Cn1ncc(Br)c1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000517655571 1022527978 /nfs/dbraw/zinc/52/79/78/1022527978.db2.gz UBXFISXMWFSVIV-HNNXBMFYSA-N 1 2 334.261 3.692 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc4oc(=O)oc4c3)CCO2)cc1 ZINC000894551531 1022539365 /nfs/dbraw/zinc/53/93/65/1022539365.db2.gz MEWBOGDQPRFKEG-IBGZPJMESA-N 1 2 339.391 3.522 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc4oc(=O)oc4c3)CCO2)cc1 ZINC000894551531 1022539378 /nfs/dbraw/zinc/53/93/78/1022539378.db2.gz MEWBOGDQPRFKEG-IBGZPJMESA-N 1 2 339.391 3.522 20 0 EHADLO CC[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000051333906 1022548056 /nfs/dbraw/zinc/54/80/56/1022548056.db2.gz GFWXTCJPNXAEEI-MRXNPFEDSA-N 1 2 341.455 3.700 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@@H+]2CCOc3ccccc3C2)s1 ZINC000891755162 1022553520 /nfs/dbraw/zinc/55/35/20/1022553520.db2.gz UWPZUFFGUXCIEU-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@H+]2CCOc3ccccc3C2)s1 ZINC000891755162 1022553531 /nfs/dbraw/zinc/55/35/31/1022553531.db2.gz UWPZUFFGUXCIEU-UHFFFAOYSA-N 1 2 328.359 3.643 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]1c1ccccc1)C2 ZINC000476228888 1033065774 /nfs/dbraw/zinc/06/57/74/1033065774.db2.gz YGIKDXFCVLOHTP-OGWOLHLISA-N 1 2 337.467 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]1c1ccccc1)CC2 ZINC000476228888 1033065787 /nfs/dbraw/zinc/06/57/87/1033065787.db2.gz YGIKDXFCVLOHTP-OGWOLHLISA-N 1 2 337.467 3.858 20 0 EHADLO O=C(c1ccc(Cl)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346009724 1022598412 /nfs/dbraw/zinc/59/84/12/1022598412.db2.gz KBWNIDZDMNYHRO-CYBMUJFWSA-N 1 2 337.206 3.682 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000894593667 1022604328 /nfs/dbraw/zinc/60/43/28/1022604328.db2.gz WCXYNXGVSWFWKH-CQSZACIVSA-N 1 2 342.443 3.683 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000894593667 1022604335 /nfs/dbraw/zinc/60/43/35/1022604335.db2.gz WCXYNXGVSWFWKH-CQSZACIVSA-N 1 2 342.443 3.683 20 0 EHADLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000891769964 1022611916 /nfs/dbraw/zinc/61/19/16/1022611916.db2.gz DKWIGUCTRRRGFT-KRWDZBQOSA-N 1 2 325.412 3.902 20 0 EHADLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)o1 ZINC000891769964 1022611925 /nfs/dbraw/zinc/61/19/25/1022611925.db2.gz DKWIGUCTRRRGFT-KRWDZBQOSA-N 1 2 325.412 3.902 20 0 EHADLO CC(C)(C)c1coc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000894610827 1022616099 /nfs/dbraw/zinc/61/60/99/1022616099.db2.gz RCWUNVBOWPQMDE-SFHVURJKSA-N 1 2 328.456 3.966 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835381 1022627257 /nfs/dbraw/zinc/62/72/57/1022627257.db2.gz FBYROSOOIMDRBY-OXJNMPFZSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664835381 1022627262 /nfs/dbraw/zinc/62/72/62/1022627262.db2.gz FBYROSOOIMDRBY-OXJNMPFZSA-N 1 2 349.478 3.832 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3=CCCCC3)n2)O1 ZINC000665002474 1022636672 /nfs/dbraw/zinc/63/66/72/1022636672.db2.gz BAQGFHPTKVSWLV-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3=CCCCC3)n2)O1 ZINC000665002474 1022636681 /nfs/dbraw/zinc/63/66/81/1022636681.db2.gz BAQGFHPTKVSWLV-CRAIPNDOSA-N 1 2 339.439 3.989 20 0 EHADLO CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000664834821 1022645260 /nfs/dbraw/zinc/64/52/60/1022645260.db2.gz VRPGXWVSYUMYED-RTBURBONSA-N 1 2 335.451 3.660 20 0 EHADLO CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]1c1ccncc1 ZINC000664834821 1022645266 /nfs/dbraw/zinc/64/52/66/1022645266.db2.gz VRPGXWVSYUMYED-RTBURBONSA-N 1 2 335.451 3.660 20 0 EHADLO Fc1ccc(-c2nn(C[NH+]3CCCCC3)cc2Br)cc1 ZINC000729463757 1022645422 /nfs/dbraw/zinc/64/54/22/1022645422.db2.gz TWCAUBALNJPSHB-UHFFFAOYSA-N 1 2 338.224 3.895 20 0 EHADLO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000430747772 1022647850 /nfs/dbraw/zinc/64/78/50/1022647850.db2.gz ZBWOPKJKWQNAOK-INMHGKMJSA-N 1 2 328.460 3.688 20 0 EHADLO CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H](C)O3)no2)CCC1 ZINC000665006009 1022656656 /nfs/dbraw/zinc/65/66/56/1022656656.db2.gz QITMJRCDIFUWGE-RDJZCZTQSA-N 1 2 341.455 3.863 20 0 EHADLO CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H](C)O3)no2)CCC1 ZINC000665006009 1022656669 /nfs/dbraw/zinc/65/66/69/1022656669.db2.gz QITMJRCDIFUWGE-RDJZCZTQSA-N 1 2 341.455 3.863 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000303951655 1022674398 /nfs/dbraw/zinc/67/43/98/1022674398.db2.gz VXBQZUPCLTZCJP-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000303951655 1022674401 /nfs/dbraw/zinc/67/44/01/1022674401.db2.gz VXBQZUPCLTZCJP-HNNXBMFYSA-N 1 2 329.271 3.826 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 ZINC000330833748 1022683178 /nfs/dbraw/zinc/68/31/78/1022683178.db2.gz VTUHBTGTCBHNQY-UWVGGRQHSA-N 1 2 330.354 3.770 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000894666963 1022683411 /nfs/dbraw/zinc/68/34/11/1022683411.db2.gz DOMLMSPFLIACHW-GFCCVEGCSA-N 1 2 334.445 3.526 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnn4ccccc34)n2)cc1 ZINC000276762093 1022692921 /nfs/dbraw/zinc/69/29/21/1022692921.db2.gz MXPPGLUERKDKKP-CQSZACIVSA-N 1 2 347.422 3.798 20 0 EHADLO Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000622584346 1022695548 /nfs/dbraw/zinc/69/55/48/1022695548.db2.gz BVVANSRFTHZFSY-LBPRGKRZSA-N 1 2 327.325 3.786 20 0 EHADLO Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000622584346 1022695558 /nfs/dbraw/zinc/69/55/58/1022695558.db2.gz BVVANSRFTHZFSY-LBPRGKRZSA-N 1 2 327.325 3.786 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000438476890 1022713135 /nfs/dbraw/zinc/71/31/35/1022713135.db2.gz JIVOWMLIROZKJD-CTNGQTDRSA-N 1 2 338.451 3.641 20 0 EHADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000438476890 1022713143 /nfs/dbraw/zinc/71/31/43/1022713143.db2.gz JIVOWMLIROZKJD-CTNGQTDRSA-N 1 2 338.451 3.641 20 0 EHADLO CSCC1CCC([NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000894687297 1022729912 /nfs/dbraw/zinc/72/99/12/1022729912.db2.gz BGVWJEHPDDLERD-UHFFFAOYSA-N 1 2 345.306 3.561 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC000119494735 1033076118 /nfs/dbraw/zinc/07/61/18/1033076118.db2.gz YXHRVFFSVYGBDT-SFHVURJKSA-N 1 2 331.504 3.952 20 0 EHADLO CCc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000517856467 1022758796 /nfs/dbraw/zinc/75/87/96/1022758796.db2.gz PKKAJWSJPZUOLS-MRXNPFEDSA-N 1 2 338.451 3.895 20 0 EHADLO CC[C@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000458945281 1022812773 /nfs/dbraw/zinc/81/27/73/1022812773.db2.gz QNAIRNPDCSGLSC-HOTGVXAUSA-N 1 2 332.492 3.577 20 0 EHADLO Clc1c2ccccc2sc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510649804 1022821839 /nfs/dbraw/zinc/82/18/39/1022821839.db2.gz XZDWGXBGDICMTQ-KRWDZBQOSA-N 1 2 337.872 3.936 20 0 EHADLO Clc1c2ccccc2sc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510649804 1022821856 /nfs/dbraw/zinc/82/18/56/1022821856.db2.gz XZDWGXBGDICMTQ-KRWDZBQOSA-N 1 2 337.872 3.936 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4c(F)ccc(F)c4C3)ccc2[nH+]1 ZINC000438585594 1022841706 /nfs/dbraw/zinc/84/17/06/1022841706.db2.gz LEXZOLSZAIBEAS-UHFFFAOYSA-N 1 2 342.349 3.511 20 0 EHADLO C[C@](CO)([NH2+]Cc1nccn1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000894763964 1022876862 /nfs/dbraw/zinc/87/68/62/1022876862.db2.gz RGEJPDAFCVDIKB-MRXNPFEDSA-N 1 2 340.254 3.522 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCc4ccc(F)c(F)c4C3)ccc2[nH+]1 ZINC000426097585 1022892564 /nfs/dbraw/zinc/89/25/64/1022892564.db2.gz CQABDPGWKZDRFJ-UHFFFAOYSA-N 1 2 342.349 3.511 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000440480933 1022961930 /nfs/dbraw/zinc/96/19/30/1022961930.db2.gz XTQZCRSYGSFPQT-UHFFFAOYSA-N 1 2 339.549 3.889 20 0 EHADLO COC[C@@H](NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000520463069 1022965022 /nfs/dbraw/zinc/96/50/22/1022965022.db2.gz OVUSCDAVGDEXNA-RTBURBONSA-N 1 2 332.875 3.920 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000426731116 1023000450 /nfs/dbraw/zinc/00/04/50/1023000450.db2.gz CSAHHBDSCLUEQW-LBPRGKRZSA-N 1 2 333.819 3.909 20 0 EHADLO COc1ccc(C2([NH2+]Cc3nnc(-c4cc(C)oc4C)o3)CC2)cc1 ZINC000341684604 1023014174 /nfs/dbraw/zinc/01/41/74/1023014174.db2.gz PFFYUSJHDHYAAF-UHFFFAOYSA-N 1 2 339.395 3.734 20 0 EHADLO CCCOc1ccc(C(C)(C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000684531316 1023019625 /nfs/dbraw/zinc/01/96/25/1023019625.db2.gz ZGYVIMFXMADDIT-UHFFFAOYSA-N 1 2 329.444 3.504 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C(C)=C\c1ccccc1COC ZINC000506978357 1023056890 /nfs/dbraw/zinc/05/68/90/1023056890.db2.gz HFGGKNMIFKHKSB-XCTGESOMSA-N 1 2 331.456 3.654 20 0 EHADLO CCOC(=O)[C@H]1CCCC[N@H+]1C/C(C)=C\c1ccccc1COC ZINC000506978357 1023056898 /nfs/dbraw/zinc/05/68/98/1023056898.db2.gz HFGGKNMIFKHKSB-XCTGESOMSA-N 1 2 331.456 3.654 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)s1 ZINC000341704818 1023072713 /nfs/dbraw/zinc/07/27/13/1023072713.db2.gz HYPWDMMVFUKSEV-KRWDZBQOSA-N 1 2 325.437 3.756 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000426884134 1023099817 /nfs/dbraw/zinc/09/98/17/1023099817.db2.gz RYQVCBKCAXDPAA-UWVAXJGDSA-N 1 2 339.483 3.953 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000440485290 1023122149 /nfs/dbraw/zinc/12/21/49/1023122149.db2.gz KKISPBJOZUICIM-HNNXBMFYSA-N 1 2 331.485 3.625 20 0 EHADLO CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1Br ZINC000507082342 1023122491 /nfs/dbraw/zinc/12/24/91/1023122491.db2.gz BVDHSYLOCLHURO-UHFFFAOYSA-N 1 2 336.277 3.822 20 0 EHADLO CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1Br ZINC000507082342 1023122501 /nfs/dbraw/zinc/12/25/01/1023122501.db2.gz BVDHSYLOCLHURO-UHFFFAOYSA-N 1 2 336.277 3.822 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878488 1033107984 /nfs/dbraw/zinc/10/79/84/1033107984.db2.gz KNPBGZJJIZGQCD-PKOBYXMFSA-N 1 2 331.843 3.665 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccccc1 ZINC000157878488 1033107988 /nfs/dbraw/zinc/10/79/88/1033107988.db2.gz KNPBGZJJIZGQCD-PKOBYXMFSA-N 1 2 331.843 3.665 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)c(C)nc2s1 ZINC000507133221 1023151030 /nfs/dbraw/zinc/15/10/30/1023151030.db2.gz UDLYIBZFPJAAAG-OAHLLOKOSA-N 1 2 330.432 3.884 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)c(C)nc2s1 ZINC000507133221 1023151036 /nfs/dbraw/zinc/15/10/36/1023151036.db2.gz UDLYIBZFPJAAAG-OAHLLOKOSA-N 1 2 330.432 3.884 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(O)c(C)c3)cn2c1 ZINC000157382858 1023152225 /nfs/dbraw/zinc/15/22/25/1023152225.db2.gz YTVGNCQXRRPXIY-UHFFFAOYSA-N 1 2 341.436 3.529 20 0 EHADLO FC(F)(F)c1csc(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000295057391 1023156747 /nfs/dbraw/zinc/15/67/47/1023156747.db2.gz NZZRYLSIQJDXGS-UHFFFAOYSA-N 1 2 333.404 3.998 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000427092940 1023209037 /nfs/dbraw/zinc/20/90/37/1023209037.db2.gz MANMXIIIFXDFPV-UHFFFAOYSA-N 1 2 343.446 3.773 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263471 1023217635 /nfs/dbraw/zinc/21/76/35/1023217635.db2.gz PMGZTIAEFKHVJB-YLJYHZDGSA-N 1 2 346.515 3.563 20 0 EHADLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263471 1023217644 /nfs/dbraw/zinc/21/76/44/1023217644.db2.gz PMGZTIAEFKHVJB-YLJYHZDGSA-N 1 2 346.515 3.563 20 0 EHADLO CCCCO[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441492471 1023234934 /nfs/dbraw/zinc/23/49/34/1023234934.db2.gz QWIAACNMDGVCQQ-MJGOQNOKSA-N 1 2 343.471 3.563 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1)C1CCCCC1 ZINC000440493121 1023244068 /nfs/dbraw/zinc/24/40/68/1023244068.db2.gz YYFDIDAUBFNGFM-MRXNPFEDSA-N 1 2 346.519 3.602 20 0 EHADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1)C1CCCCC1 ZINC000440493121 1023244079 /nfs/dbraw/zinc/24/40/79/1023244079.db2.gz YYFDIDAUBFNGFM-MRXNPFEDSA-N 1 2 346.519 3.602 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)oc1C ZINC000431101521 1023256923 /nfs/dbraw/zinc/25/69/23/1023256923.db2.gz OXRDDRTVZPXKNV-QWRGUYRKSA-N 1 2 335.375 3.934 20 0 EHADLO C[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000341749951 1023257260 /nfs/dbraw/zinc/25/72/60/1023257260.db2.gz QNWJESJTIGWOAP-RYRKJORJSA-N 1 2 327.472 3.528 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2Cc3ccccc32)c(C)c1 ZINC000441494146 1023259325 /nfs/dbraw/zinc/25/93/25/1023259325.db2.gz VFAYNNNBZSATSP-NHCUHLMSSA-N 1 2 345.446 3.697 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC(c3ccc(Cl)cc3)C2)c[nH+]1 ZINC000459087236 1023269258 /nfs/dbraw/zinc/26/92/58/1023269258.db2.gz WUDDFAOPYRPHKU-UHFFFAOYSA-N 1 2 329.831 3.661 20 0 EHADLO CC(C)[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(F)ccc1F ZINC000684555189 1023281839 /nfs/dbraw/zinc/28/18/39/1023281839.db2.gz GKMOKWKYLJSECY-GOSISDBHSA-N 1 2 335.398 3.598 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](C)c3ccc(F)cc3F)ccc2[nH+]1 ZINC000341771304 1023298966 /nfs/dbraw/zinc/29/89/66/1023298966.db2.gz SGSADSUFAITCQE-LLVKDONJSA-N 1 2 330.338 3.804 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856390 1023319251 /nfs/dbraw/zinc/31/92/51/1023319251.db2.gz XGVNRHWXMGLEBZ-KBPBESRZSA-N 1 2 335.366 3.551 20 0 EHADLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856390 1023319255 /nfs/dbraw/zinc/31/92/55/1023319255.db2.gz XGVNRHWXMGLEBZ-KBPBESRZSA-N 1 2 335.366 3.551 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000133059501 1023466921 /nfs/dbraw/zinc/46/69/21/1023466921.db2.gz UPQYMHJGWKVYEJ-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000133059501 1023466929 /nfs/dbraw/zinc/46/69/29/1023466929.db2.gz UPQYMHJGWKVYEJ-UHFFFAOYSA-N 1 2 339.361 3.612 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@H+](C)Cc2csc3ccccc23)n1 ZINC000602764238 1033135636 /nfs/dbraw/zinc/13/56/36/1033135636.db2.gz VIVDFRASAKEGEU-LLVKDONJSA-N 1 2 330.409 3.869 20 0 EHADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)Cc2csc3ccccc23)n1 ZINC000602764238 1033135644 /nfs/dbraw/zinc/13/56/44/1033135644.db2.gz VIVDFRASAKEGEU-LLVKDONJSA-N 1 2 330.409 3.869 20 0 EHADLO Cc1c[nH+]c(CCSc2nnnn2-c2c(C)cccc2C)c(C)c1 ZINC000582002393 1023485277 /nfs/dbraw/zinc/48/52/77/1023485277.db2.gz HPIMTXQWKYAVQZ-UHFFFAOYSA-N 1 2 339.468 3.626 20 0 EHADLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276972567 1023508467 /nfs/dbraw/zinc/50/84/67/1023508467.db2.gz ROSRACSJQXDWFZ-NSHDSACASA-N 1 2 344.365 3.651 20 0 EHADLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276972567 1023508470 /nfs/dbraw/zinc/50/84/70/1023508470.db2.gz ROSRACSJQXDWFZ-NSHDSACASA-N 1 2 344.365 3.651 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000180905668 1023524809 /nfs/dbraw/zinc/52/48/09/1023524809.db2.gz BJHBPUVITHXSGE-HNNXBMFYSA-N 1 2 337.423 3.720 20 0 EHADLO CC[C@H](C)n1ncc(NC(=O)NCCCCn2cc[nH+]c2)c1C1CC1 ZINC000535699693 1023575058 /nfs/dbraw/zinc/57/50/58/1023575058.db2.gz LPIAVNIOAROTJO-AWEZNQCLSA-N 1 2 344.463 3.530 20 0 EHADLO CO[C@H](c1noc(C[NH+]2CCC(C)CC2)n1)c1cccc(Cl)c1 ZINC000276982983 1023581748 /nfs/dbraw/zinc/58/17/48/1023581748.db2.gz WFCNZZMBHLNGJR-INIZCTEOSA-N 1 2 335.835 3.691 20 0 EHADLO Cc1cc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000684600853 1023664084 /nfs/dbraw/zinc/66/40/84/1023664084.db2.gz JYSHESKQIUWRMY-ZWKOTPCHSA-N 1 2 331.423 3.816 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000341896440 1023669487 /nfs/dbraw/zinc/66/94/87/1023669487.db2.gz NSMUEXLZPRJATC-OAHLLOKOSA-N 1 2 334.423 3.750 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000341896440 1023669491 /nfs/dbraw/zinc/66/94/91/1023669491.db2.gz NSMUEXLZPRJATC-OAHLLOKOSA-N 1 2 334.423 3.750 20 0 EHADLO COc1ccc(F)c(F)c1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC001143418130 1023717238 /nfs/dbraw/zinc/71/72/38/1023717238.db2.gz QFWIDUREVXHWHV-UHFFFAOYSA-N 1 2 348.393 3.720 20 0 EHADLO CC(=O)Nc1cccc(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000341997217 1023756384 /nfs/dbraw/zinc/75/63/84/1023756384.db2.gz WFNZSZRCHSWJIM-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO CC(=O)Nc1cccc(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000341997217 1023756386 /nfs/dbraw/zinc/75/63/86/1023756386.db2.gz WFNZSZRCHSWJIM-LJQANCHMSA-N 1 2 348.368 3.994 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC(C)(C)CCc2ccccc2)c[nH+]1 ZINC000458291544 1023853204 /nfs/dbraw/zinc/85/32/04/1023853204.db2.gz XMHOBSHQORAFTL-UHFFFAOYSA-N 1 2 325.456 3.909 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](C)c3cccc(Cl)c3)nc(N)c2c1C ZINC000181409904 1023926307 /nfs/dbraw/zinc/92/63/07/1023926307.db2.gz OVFBRIUDYVZYIO-SNVBAGLBSA-N 1 2 330.819 3.926 20 0 EHADLO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000081958017 1023976285 /nfs/dbraw/zinc/97/62/85/1023976285.db2.gz RGDKNAONVPXWOI-LLVKDONJSA-N 1 2 345.270 3.549 20 0 EHADLO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000081958017 1023976298 /nfs/dbraw/zinc/97/62/98/1023976298.db2.gz RGDKNAONVPXWOI-LLVKDONJSA-N 1 2 345.270 3.549 20 0 EHADLO Cc1cc(F)cc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001143591159 1023980338 /nfs/dbraw/zinc/98/03/38/1023980338.db2.gz BTFBRSRTPHKZIR-UHFFFAOYSA-N 1 2 338.426 3.585 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000192362668 1023994925 /nfs/dbraw/zinc/99/49/25/1023994925.db2.gz XNUGGUKIBFYKJN-HNNXBMFYSA-N 1 2 346.475 3.838 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1F ZINC000150995931 1024013021 /nfs/dbraw/zinc/01/30/21/1024013021.db2.gz NIGCDPJGBYKRFF-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1F ZINC000150995931 1024013036 /nfs/dbraw/zinc/01/30/36/1024013036.db2.gz NIGCDPJGBYKRFF-AUUYWEPGSA-N 1 2 343.398 3.574 20 0 EHADLO CO[C@@H](C[N@H+](C)CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000513970763 1024019004 /nfs/dbraw/zinc/01/90/04/1024019004.db2.gz XAJCRFQPLDDPIZ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO CO[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000513970763 1024019017 /nfs/dbraw/zinc/01/90/17/1024019017.db2.gz XAJCRFQPLDDPIZ-SFHVURJKSA-N 1 2 346.858 3.906 20 0 EHADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000522198214 1024024627 /nfs/dbraw/zinc/02/46/27/1024024627.db2.gz XBXMRXXYKUATDX-CQSZACIVSA-N 1 2 347.418 3.971 20 0 EHADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc(C)c1F ZINC000513996173 1024025131 /nfs/dbraw/zinc/02/51/31/1024025131.db2.gz FOVKZUWQDVMMGI-KRWDZBQOSA-N 1 2 346.833 3.883 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143420722 1024027962 /nfs/dbraw/zinc/02/79/62/1024027962.db2.gz QFIJPORSFNBFPE-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC001143420722 1024027969 /nfs/dbraw/zinc/02/79/69/1024027969.db2.gz QFIJPORSFNBFPE-CYBMUJFWSA-N 1 2 349.377 3.635 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000351534909 1024052323 /nfs/dbraw/zinc/05/23/23/1024052323.db2.gz GSQPTKCRBQHMIZ-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO CCN(CC1CC1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000351534909 1024052341 /nfs/dbraw/zinc/05/23/41/1024052341.db2.gz GSQPTKCRBQHMIZ-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO Cc1cc2ccccc2nc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000151276506 1024083850 /nfs/dbraw/zinc/08/38/50/1024083850.db2.gz WLFRXCNEQXXOJJ-UHFFFAOYSA-N 1 2 338.480 3.712 20 0 EHADLO Cc1cc2ccccc2nc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000151276506 1024083866 /nfs/dbraw/zinc/08/38/66/1024083866.db2.gz WLFRXCNEQXXOJJ-UHFFFAOYSA-N 1 2 338.480 3.712 20 0 EHADLO CC[C@]([NH2+]C[C@H]1CCCC(F)(F)C1)(C(=O)OC)c1ccccc1 ZINC000514074045 1024092112 /nfs/dbraw/zinc/09/21/12/1024092112.db2.gz HNJLGVPBCGYGSD-KBXCAEBGSA-N 1 2 325.399 3.880 20 0 EHADLO O=C(c1ccc2c3c(cccc31)CC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346030717 1024118624 /nfs/dbraw/zinc/11/86/24/1024118624.db2.gz GMVGLHKUFOLKAB-GOSISDBHSA-N 1 2 344.414 3.627 20 0 EHADLO CCCCn1c(S[C@@H]2COC(C)(C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000657225640 1024140136 /nfs/dbraw/zinc/14/01/36/1024140136.db2.gz MXLPAHJPAHVQOF-UONOGXRCSA-N 1 2 340.537 3.751 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541137 1024150549 /nfs/dbraw/zinc/15/05/49/1024150549.db2.gz CFFXEVAZFFWXBH-WMLDXEAASA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000434541137 1024150556 /nfs/dbraw/zinc/15/05/56/1024150556.db2.gz CFFXEVAZFFWXBH-WMLDXEAASA-N 1 2 328.435 3.727 20 0 EHADLO C[C@H](N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1(C)CC1 ZINC000443570106 1024156200 /nfs/dbraw/zinc/15/62/00/1024156200.db2.gz ZKEYVEVNXBPOTC-AWEZNQCLSA-N 1 2 349.906 3.528 20 0 EHADLO C[C@H](N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1(C)CC1 ZINC000443570106 1024156212 /nfs/dbraw/zinc/15/62/12/1024156212.db2.gz ZKEYVEVNXBPOTC-AWEZNQCLSA-N 1 2 349.906 3.528 20 0 EHADLO Cc1cc(NC(=O)c2cnc(Cc3ccccc3F)s2)c(C)c[nH+]1 ZINC000548520475 1024213135 /nfs/dbraw/zinc/21/31/35/1024213135.db2.gz LMSMPKCJTLOLOO-UHFFFAOYSA-N 1 2 341.411 3.559 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089978 1024332426 /nfs/dbraw/zinc/33/24/26/1024332426.db2.gz LVGDWFMTULTDMV-PXAZEXFGSA-N 1 2 342.414 3.806 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000430089978 1024332438 /nfs/dbraw/zinc/33/24/38/1024332438.db2.gz LVGDWFMTULTDMV-PXAZEXFGSA-N 1 2 342.414 3.806 20 0 EHADLO c1n[nH]c([C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C2CCCCC2)n1 ZINC000330253475 1024373570 /nfs/dbraw/zinc/37/35/70/1024373570.db2.gz IXLREFTUOLTXIW-SJORKVTESA-N 1 2 332.492 3.898 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCc2ccccc2C1 ZINC000425168968 1024385859 /nfs/dbraw/zinc/38/58/59/1024385859.db2.gz MWMUQHIAHFHILU-FQEVSTJZSA-N 1 2 345.446 3.907 20 0 EHADLO CC[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425185521 1024417847 /nfs/dbraw/zinc/41/78/47/1024417847.db2.gz HAIBIHHLFZJKQH-AEFFLSMTSA-N 1 2 325.456 3.970 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505530955 1024440351 /nfs/dbraw/zinc/44/03/51/1024440351.db2.gz WVYJGCXCOHLBJE-XUYKHGSPSA-N 1 2 342.389 3.541 20 0 EHADLO Clc1ccccc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434834814 1024450339 /nfs/dbraw/zinc/45/03/39/1024450339.db2.gz VISUSSBELZHSFL-UHFFFAOYSA-N 1 2 342.830 3.645 20 0 EHADLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000346151927 1024453221 /nfs/dbraw/zinc/45/32/21/1024453221.db2.gz OHXXXJULHWETSI-OAQYLSRUSA-N 1 2 345.446 3.620 20 0 EHADLO CC[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1OC(F)F ZINC000346153690 1024455177 /nfs/dbraw/zinc/45/51/77/1024455177.db2.gz QPDUUGOCAWZVEQ-STQMWFEESA-N 1 2 349.381 3.699 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000346135274 1024462458 /nfs/dbraw/zinc/46/24/58/1024462458.db2.gz DRCPDLQLBDKDSJ-UHFFFAOYSA-N 1 2 332.407 3.594 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4CCO[C@@H](C(C)C)C4)n3)[nH+]c12 ZINC000923878004 1024463674 /nfs/dbraw/zinc/46/36/74/1024463674.db2.gz UAMLCKLZCPYHGN-GDBMZVCRSA-N 1 2 340.427 3.535 20 0 EHADLO COc1ccccc1[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[NH2+]1 ZINC000505549904 1024467882 /nfs/dbraw/zinc/46/78/82/1024467882.db2.gz LQQJIEPICCZMMH-SFHVURJKSA-N 1 2 344.499 3.775 20 0 EHADLO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505552105 1024470992 /nfs/dbraw/zinc/47/09/92/1024470992.db2.gz WIISBSHMEKBDKO-GUDVDZBRSA-N 1 2 330.447 3.515 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000346210325 1024501645 /nfs/dbraw/zinc/50/16/45/1024501645.db2.gz CYPMGDWTPSYEKW-CABCVRRESA-N 1 2 343.858 3.717 20 0 EHADLO Clc1ccc2nc([C@H]3CCCN3c3[nH+]cnc4[nH]ccc43)[nH]c2c1 ZINC000342240104 1024526423 /nfs/dbraw/zinc/52/64/23/1024526423.db2.gz WHRITZLSCNWOIL-CQSZACIVSA-N 1 2 338.802 3.829 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000434981565 1024527381 /nfs/dbraw/zinc/52/73/81/1024527381.db2.gz GTOYZUUZFODNBW-UHFFFAOYSA-N 1 2 340.467 3.662 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000434981565 1024527385 /nfs/dbraw/zinc/52/73/85/1024527385.db2.gz GTOYZUUZFODNBW-UHFFFAOYSA-N 1 2 340.467 3.662 20 0 EHADLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434987644 1024544077 /nfs/dbraw/zinc/54/40/77/1024544077.db2.gz OFQQSCQRVBYPER-AWEZNQCLSA-N 1 2 342.468 3.610 20 0 EHADLO CCOc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000346236666 1024551704 /nfs/dbraw/zinc/55/17/04/1024551704.db2.gz QCSVNJIMWVYYQY-UHFFFAOYSA-N 1 2 349.434 3.602 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@]1(C)O ZINC001143428451 1024565220 /nfs/dbraw/zinc/56/52/20/1024565220.db2.gz JGUZCAGCDAHNOY-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@]1(C)O ZINC001143428451 1024565231 /nfs/dbraw/zinc/56/52/31/1024565231.db2.gz JGUZCAGCDAHNOY-YGRLFVJLSA-N 1 2 337.769 3.831 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc2c3c(cccc31)CC2 ZINC000346289603 1024607810 /nfs/dbraw/zinc/60/78/10/1024607810.db2.gz QLYRGYFHGSYRAM-UHFFFAOYSA-N 1 2 331.419 3.565 20 0 EHADLO CCOc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OC ZINC000346297863 1024615828 /nfs/dbraw/zinc/61/58/28/1024615828.db2.gz PWSDTVZXAYCZGN-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO CCOc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OC ZINC000346297863 1024615839 /nfs/dbraw/zinc/61/58/39/1024615839.db2.gz PWSDTVZXAYCZGN-LJQANCHMSA-N 1 2 341.451 3.537 20 0 EHADLO O=C([C@H]1CC2CCC1CC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346302780 1024627637 /nfs/dbraw/zinc/62/76/37/1024627637.db2.gz FPQDQWAUDAPPPO-ACBHZAAOSA-N 1 2 329.488 3.728 20 0 EHADLO O=C(N=c1cc(C2CCCCCC2)[nH][nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346338642 1024663525 /nfs/dbraw/zinc/66/35/25/1024663525.db2.gz RPNZVOQMYOHJIZ-UHFFFAOYSA-N 1 2 349.438 3.707 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000346366829 1024684035 /nfs/dbraw/zinc/68/40/35/1024684035.db2.gz HZJKWKDFEMPSOS-QGZVFWFLSA-N 1 2 330.403 3.680 20 0 EHADLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000346366829 1024684038 /nfs/dbraw/zinc/68/40/38/1024684038.db2.gz HZJKWKDFEMPSOS-QGZVFWFLSA-N 1 2 330.403 3.680 20 0 EHADLO CSC[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425310593 1024725508 /nfs/dbraw/zinc/72/55/08/1024725508.db2.gz HTLKJUZUSAHGBU-DOTOQJQBSA-N 1 2 343.496 3.533 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000505639498 1024735821 /nfs/dbraw/zinc/73/58/21/1024735821.db2.gz QOWUHNIPOXPWJN-KBXCAEBGSA-N 1 2 342.439 3.872 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000505639498 1024735830 /nfs/dbraw/zinc/73/58/30/1024735830.db2.gz QOWUHNIPOXPWJN-KBXCAEBGSA-N 1 2 342.439 3.872 20 0 EHADLO Fc1cccc(Cl)c1COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000435241886 1024737286 /nfs/dbraw/zinc/73/72/86/1024737286.db2.gz WZCYZJOVYKGSCH-UHFFFAOYSA-N 1 2 335.806 3.890 20 0 EHADLO C[C@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000425316621 1024739215 /nfs/dbraw/zinc/73/92/15/1024739215.db2.gz QDEHMHLILRNNQY-GPUAKUCWSA-N 1 2 349.478 3.826 20 0 EHADLO Cc1nc(N2CCC[C@H]2c2cncc(Br)c2)c(C)c(C)[nH+]1 ZINC000895707449 1024744284 /nfs/dbraw/zinc/74/42/84/1024744284.db2.gz DDKCFUCWRBFCEC-HNNXBMFYSA-N 1 2 347.260 3.901 20 0 EHADLO C[C@@]12CN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000425319377 1024748159 /nfs/dbraw/zinc/74/81/59/1024748159.db2.gz VNMVPPLXVIZUAA-IHZGOTPNSA-N 1 2 347.462 3.602 20 0 EHADLO CCc1cc(N2CCC[C@@H]2c2cncc(Br)c2)nc(C)[nH+]1 ZINC000895710383 1024748678 /nfs/dbraw/zinc/74/86/78/1024748678.db2.gz UOFHCPWQEPGEFE-OAHLLOKOSA-N 1 2 347.260 3.846 20 0 EHADLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000342292159 1024749861 /nfs/dbraw/zinc/74/98/61/1024749861.db2.gz FRTRLFRABZJHTK-XOBRGWDASA-N 1 2 337.398 3.682 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151823122 1024751192 /nfs/dbraw/zinc/75/11/92/1024751192.db2.gz OPCJRZWZOPNLBO-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151823122 1024751200 /nfs/dbraw/zinc/75/12/00/1024751200.db2.gz OPCJRZWZOPNLBO-UHFFFAOYSA-N 1 2 347.768 3.647 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(F)F ZINC000895724226 1024769381 /nfs/dbraw/zinc/76/93/81/1024769381.db2.gz DBCIKPWLRAAFIY-GDLCADMTSA-N 1 2 347.247 3.828 20 0 EHADLO Cc1cc(-c2noc([C@H](C)NCc3c[nH+]cn3C(C)C)n2)ccc1F ZINC000425337584 1024783264 /nfs/dbraw/zinc/78/32/64/1024783264.db2.gz NERKSUUZZUMBAH-ZDUSSCGKSA-N 1 2 343.406 3.812 20 0 EHADLO CCc1nn(C)cc1C[N@H+](Cc1cccs1)Cc1ccncc1 ZINC000897925165 1033239222 /nfs/dbraw/zinc/23/92/22/1033239222.db2.gz HUMLIOSTRMKBIP-UHFFFAOYSA-N 1 2 326.469 3.641 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000514862312 1024793725 /nfs/dbraw/zinc/79/37/25/1024793725.db2.gz HTWHOWSECCIKAX-NSISKUIASA-N 1 2 341.499 3.503 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)cn1 ZINC000281232133 1024793744 /nfs/dbraw/zinc/79/37/44/1024793744.db2.gz UTFBWULAZAEZLP-QMTHXVAHSA-N 1 2 344.308 3.504 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000474353985 1024801466 /nfs/dbraw/zinc/80/14/66/1024801466.db2.gz OAZVFZWLBLKPMQ-KRWDZBQOSA-N 1 2 340.471 3.840 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000474353932 1024802012 /nfs/dbraw/zinc/80/20/12/1024802012.db2.gz NTFBUEXAJRIENF-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000474353932 1024802024 /nfs/dbraw/zinc/80/20/24/1024802024.db2.gz NTFBUEXAJRIENF-SFHVURJKSA-N 1 2 330.378 3.876 20 0 EHADLO CCc1nn(C)cc1C[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000897925165 1033239237 /nfs/dbraw/zinc/23/92/37/1033239237.db2.gz HUMLIOSTRMKBIP-UHFFFAOYSA-N 1 2 326.469 3.641 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000594177409 1033236050 /nfs/dbraw/zinc/23/60/50/1033236050.db2.gz PVTKVYIJNMVVSX-UHFFFAOYSA-N 1 2 340.423 3.554 20 0 EHADLO CC(C)Cn1nccc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000648029848 1024834488 /nfs/dbraw/zinc/83/44/88/1024834488.db2.gz YFYNRRVSDYIXLT-UHFFFAOYSA-N 1 2 343.446 3.773 20 0 EHADLO F[C@@H]1CC2(CC[C@@H]1[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119758 1024844024 /nfs/dbraw/zinc/84/40/24/1024844024.db2.gz HRXZYPCWXCFQAU-PMPSAXMXSA-N 1 2 325.811 3.721 20 0 EHADLO F[C@@H]1CC2(CC[C@@H]1[N@H+]1CC[C@H]1c1ccc(Cl)cc1)OCCO2 ZINC000892119758 1024844041 /nfs/dbraw/zinc/84/40/41/1024844041.db2.gz HRXZYPCWXCFQAU-PMPSAXMXSA-N 1 2 325.811 3.721 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)c2ccc(Cl)cc2)c[nH+]1 ZINC000895823424 1024877855 /nfs/dbraw/zinc/87/78/55/1024877855.db2.gz QWLHSYWJPQHPML-UHFFFAOYSA-N 1 2 333.863 3.674 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)o1 ZINC000342324729 1024890455 /nfs/dbraw/zinc/89/04/55/1024890455.db2.gz JDEHLVAHXMCEBT-ZJUUUORDSA-N 1 2 329.322 3.942 20 0 EHADLO C[C@@H](CC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)n1cc[nH+]c1 ZINC000514941877 1024916565 /nfs/dbraw/zinc/91/65/65/1024916565.db2.gz JUBDORVBGJJCST-RYUDHWBXSA-N 1 2 325.334 3.730 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000505698658 1024938738 /nfs/dbraw/zinc/93/87/38/1024938738.db2.gz ADSFBQFFIWMHPT-MOPGFXCFSA-N 1 2 325.456 3.876 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cnc(-c3ccco3)s1)C2 ZINC000895888957 1024941202 /nfs/dbraw/zinc/94/12/02/1024941202.db2.gz OUMXXNMPSIKDNF-UHFFFAOYSA-N 1 2 342.420 3.676 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cnc(-c3ccco3)s1)C2 ZINC000895888957 1024941215 /nfs/dbraw/zinc/94/12/15/1024941215.db2.gz OUMXXNMPSIKDNF-UHFFFAOYSA-N 1 2 342.420 3.676 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cnc(C(C)(C)C)s1)C2 ZINC000895889541 1024942344 /nfs/dbraw/zinc/94/23/44/1024942344.db2.gz XIUVOQWRKZYOBB-UHFFFAOYSA-N 1 2 332.469 3.713 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cnc(C(C)(C)C)s1)C2 ZINC000895889541 1024942352 /nfs/dbraw/zinc/94/23/52/1024942352.db2.gz XIUVOQWRKZYOBB-UHFFFAOYSA-N 1 2 332.469 3.713 20 0 EHADLO COc1cc2c(cc1O)CC[N@H+](Cc1cnc(C3CCC3)s1)C2 ZINC000895889655 1024942563 /nfs/dbraw/zinc/94/25/63/1024942563.db2.gz ZBVNXCJETXYSAO-UHFFFAOYSA-N 1 2 330.453 3.683 20 0 EHADLO COc1cc2c(cc1O)CC[N@@H+](Cc1cnc(C3CCC3)s1)C2 ZINC000895889655 1024942565 /nfs/dbraw/zinc/94/25/65/1024942565.db2.gz ZBVNXCJETXYSAO-UHFFFAOYSA-N 1 2 330.453 3.683 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c[nH+]1 ZINC000895890775 1024947493 /nfs/dbraw/zinc/94/74/93/1024947493.db2.gz LGIBRANLTKUUFJ-UHFFFAOYSA-N 1 2 338.455 3.650 20 0 EHADLO CCOCC[N@H+](CC)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000157598732 1024966997 /nfs/dbraw/zinc/96/69/97/1024966997.db2.gz WMKJFZKNTOPVFC-ZDUSSCGKSA-N 1 2 337.851 3.733 20 0 EHADLO CCOCC[N@@H+](CC)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000157598732 1024967007 /nfs/dbraw/zinc/96/70/07/1024967007.db2.gz WMKJFZKNTOPVFC-ZDUSSCGKSA-N 1 2 337.851 3.733 20 0 EHADLO Fc1ccc2occ(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001141858346 1024977468 /nfs/dbraw/zinc/97/74/68/1024977468.db2.gz ITEVDDPFAFTNMH-QGZVFWFLSA-N 1 2 338.373 3.877 20 0 EHADLO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151963947 1025018369 /nfs/dbraw/zinc/01/83/69/1025018369.db2.gz HGJZVZKEWHTODI-SFHVURJKSA-N 1 2 345.446 3.771 20 0 EHADLO CCC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508305182 1025023263 /nfs/dbraw/zinc/02/32/63/1025023263.db2.gz YGVQITWKYYKTCG-SJORKVTESA-N 1 2 332.488 3.554 20 0 EHADLO CCC[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508305182 1025023278 /nfs/dbraw/zinc/02/32/78/1025023278.db2.gz YGVQITWKYYKTCG-SJORKVTESA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C)CC)[C@H](C)C1 ZINC000508333967 1025038835 /nfs/dbraw/zinc/03/88/35/1025038835.db2.gz OUNZLPPMCFJRBU-DLBZAZTESA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C)CC)[C@H](C)C1 ZINC000508333967 1025038847 /nfs/dbraw/zinc/03/88/47/1025038847.db2.gz OUNZLPPMCFJRBU-DLBZAZTESA-N 1 2 332.488 3.554 20 0 EHADLO COc1ccc(OC)c(/C=C/C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000097213707 1025039186 /nfs/dbraw/zinc/03/91/86/1025039186.db2.gz QPCVEPFIYPEPAS-RMKNXTFCSA-N 1 2 326.396 3.676 20 0 EHADLO CCCc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)no1 ZINC000054985089 1033251051 /nfs/dbraw/zinc/25/10/51/1033251051.db2.gz MQOAXUGXGFYMJA-AWEZNQCLSA-N 1 2 348.878 3.554 20 0 EHADLO CCc1nc(C)c(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)o1 ZINC000428204972 1025045192 /nfs/dbraw/zinc/04/51/92/1025045192.db2.gz JPZOVYSHHAZLQY-CQSZACIVSA-N 1 2 349.425 3.702 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)o1 ZINC000428221472 1025055332 /nfs/dbraw/zinc/05/53/32/1025055332.db2.gz KNTUDVRZSXLMNO-LFVRLGFBSA-N 1 2 334.485 3.866 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)o1 ZINC000428221472 1025055352 /nfs/dbraw/zinc/05/53/52/1025055352.db2.gz KNTUDVRZSXLMNO-LFVRLGFBSA-N 1 2 334.485 3.866 20 0 EHADLO CC(C)Oc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000106284515 1025084045 /nfs/dbraw/zinc/08/40/45/1025084045.db2.gz DYOCYIKOWYPTMG-UHFFFAOYSA-N 1 2 335.407 3.590 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)c(F)c1 ZINC000191778819 1025093252 /nfs/dbraw/zinc/09/32/52/1025093252.db2.gz VEDROENGNOWIQT-UHFFFAOYSA-N 1 2 332.423 3.837 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000515211142 1025093615 /nfs/dbraw/zinc/09/36/15/1025093615.db2.gz NPRJYAQPQUJSSJ-MRXNPFEDSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000515211142 1025093627 /nfs/dbraw/zinc/09/36/27/1025093627.db2.gz NPRJYAQPQUJSSJ-MRXNPFEDSA-N 1 2 343.496 3.704 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511059431 1025098249 /nfs/dbraw/zinc/09/82/49/1025098249.db2.gz LWMBAVJZGJLZJC-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000511059431 1025098263 /nfs/dbraw/zinc/09/82/63/1025098263.db2.gz LWMBAVJZGJLZJC-UHFFFAOYSA-N 1 2 330.815 3.969 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2cccc(COC(C)(C)C)c2)c[nH+]1 ZINC000896074786 1025124778 /nfs/dbraw/zinc/12/47/78/1025124778.db2.gz DCQGCMWOJSFAKD-UHFFFAOYSA-N 1 2 343.471 3.558 20 0 EHADLO CC1(C)CC[C@H](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)OC1 ZINC000896086712 1025130377 /nfs/dbraw/zinc/13/03/77/1025130377.db2.gz IBLQCLHQGLZFER-MRXNPFEDSA-N 1 2 338.411 3.670 20 0 EHADLO C[C@H](NC(=O)N[C@H]1CCC[C@@H](F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582059501 1025135197 /nfs/dbraw/zinc/13/51/97/1025135197.db2.gz PMQDKLLZMTWINU-IMJJTQAJSA-N 1 2 330.407 3.513 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc(SC)cc1 ZINC000435780614 1025146596 /nfs/dbraw/zinc/14/65/96/1025146596.db2.gz FBVWWJAEAZXQGF-IBGZPJMESA-N 1 2 343.492 3.633 20 0 EHADLO O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000342389384 1025160605 /nfs/dbraw/zinc/16/06/05/1025160605.db2.gz ATYOOXAUBIAUNF-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO Cc1csc([C@H](C)NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000515377190 1025206119 /nfs/dbraw/zinc/20/61/19/1025206119.db2.gz IIPPSINNDJDATH-ZFWWWQNUSA-N 1 2 340.452 3.574 20 0 EHADLO CC[C@@](C)(O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000435911327 1025213663 /nfs/dbraw/zinc/21/36/63/1025213663.db2.gz KYJWOVNRXTVATI-JOCHJYFZSA-N 1 2 336.479 3.535 20 0 EHADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000472158711 1025228065 /nfs/dbraw/zinc/22/80/65/1025228065.db2.gz PPBFVNNSVSWVDV-INIZCTEOSA-N 1 2 349.434 3.621 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC000435960695 1025241391 /nfs/dbraw/zinc/24/13/91/1025241391.db2.gz FQMMJKGFIUESOB-JRGCBEDISA-N 1 2 343.430 3.639 20 0 EHADLO c1c(C[NH2+]Cc2ccccc2OCc2ccccc2)nnn1C1CCC1 ZINC000657334263 1025249087 /nfs/dbraw/zinc/24/90/87/1025249087.db2.gz SCZCQTYXUZPYKQ-UHFFFAOYSA-N 1 2 348.450 3.872 20 0 EHADLO c1ccc(COCCCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000346899713 1025278532 /nfs/dbraw/zinc/27/85/32/1025278532.db2.gz FMOUTWMDEZFZBS-UHFFFAOYSA-N 1 2 340.471 3.876 20 0 EHADLO c1ccc(COCCCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000346899713 1025278547 /nfs/dbraw/zinc/27/85/47/1025278547.db2.gz FMOUTWMDEZFZBS-UHFFFAOYSA-N 1 2 340.471 3.876 20 0 EHADLO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000281618360 1025283704 /nfs/dbraw/zinc/28/37/04/1025283704.db2.gz NLKBXBDUDFSLMZ-IEBWSBKVSA-N 1 2 339.483 3.957 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccccc1 ZINC000453273025 1025306913 /nfs/dbraw/zinc/30/69/13/1025306913.db2.gz VWBNSFOWXQCSHB-GFCCVEGCSA-N 1 2 341.274 3.691 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](CCSCc3ccccc3)CCO2)c1 ZINC000192625555 1025313483 /nfs/dbraw/zinc/31/34/83/1025313483.db2.gz BVGFMXUVTLITRT-IBGZPJMESA-N 1 2 329.465 3.699 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](CCSCc3ccccc3)CCO2)c1 ZINC000192625555 1025313497 /nfs/dbraw/zinc/31/34/97/1025313497.db2.gz BVGFMXUVTLITRT-IBGZPJMESA-N 1 2 329.465 3.699 20 0 EHADLO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2Cl)CCOc2ccccc21 ZINC000281667590 1025348815 /nfs/dbraw/zinc/34/88/15/1025348815.db2.gz LIEXHQQPEWLTMD-KRWDZBQOSA-N 1 2 338.234 3.753 20 0 EHADLO O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152219553 1025362377 /nfs/dbraw/zinc/36/23/77/1025362377.db2.gz RUOFNWNHVFMLJM-QAPCUYQASA-N 1 2 343.858 3.757 20 0 EHADLO COc1ccncc1C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000346982927 1025383451 /nfs/dbraw/zinc/38/34/51/1025383451.db2.gz NFEYXRWMVAQRSY-HNNXBMFYSA-N 1 2 332.831 3.787 20 0 EHADLO COc1ccncc1C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000346982927 1025383459 /nfs/dbraw/zinc/38/34/59/1025383459.db2.gz NFEYXRWMVAQRSY-HNNXBMFYSA-N 1 2 332.831 3.787 20 0 EHADLO CC(C)c1ccccc1OCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346996328 1025398102 /nfs/dbraw/zinc/39/81/02/1025398102.db2.gz LQVCCNCWSAYEGS-UHFFFAOYSA-N 1 2 349.434 3.805 20 0 EHADLO C[C@@H](CC(=O)NCC(C)(C)c1cccc(Cl)c1F)n1cc[nH+]c1 ZINC000515655390 1025437431 /nfs/dbraw/zinc/43/74/31/1025437431.db2.gz HRPYMHFLBYXEHA-LBPRGKRZSA-N 1 2 337.826 3.721 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C)C1 ZINC000303524812 1025473309 /nfs/dbraw/zinc/47/33/09/1025473309.db2.gz DCMAYZHSUONYEL-CKEIUWERSA-N 1 2 344.434 3.635 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ncoc3-c3ccccc3)[nH+]cn2)C1 ZINC000582161307 1025484632 /nfs/dbraw/zinc/48/46/32/1025484632.db2.gz ORQNSZHEYLYZJH-HNNXBMFYSA-N 1 2 349.438 3.980 20 0 EHADLO C[C@H]1CCCN(c2cc(NCc3ncoc3-c3ccccc3)nc[nH+]2)C1 ZINC000582161307 1025484637 /nfs/dbraw/zinc/48/46/37/1025484637.db2.gz ORQNSZHEYLYZJH-HNNXBMFYSA-N 1 2 349.438 3.980 20 0 EHADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000051476340 1025491560 /nfs/dbraw/zinc/49/15/60/1025491560.db2.gz BNUILMKHCMJROZ-UHFFFAOYSA-N 1 2 342.487 3.989 20 0 EHADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000051476340 1025491572 /nfs/dbraw/zinc/49/15/72/1025491572.db2.gz BNUILMKHCMJROZ-UHFFFAOYSA-N 1 2 342.487 3.989 20 0 EHADLO O=C(CCc1ccc2ccccc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121558786 1025503331 /nfs/dbraw/zinc/50/33/31/1025503331.db2.gz XFIXAKHPSCYFIL-OAQYLSRUSA-N 1 2 346.430 3.847 20 0 EHADLO CSc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000281814552 1025518079 /nfs/dbraw/zinc/51/80/79/1025518079.db2.gz WHTGEPMRGKKFOO-ZDUSSCGKSA-N 1 2 339.464 3.506 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N1CCCc2ccccc21 ZINC000515736123 1025548298 /nfs/dbraw/zinc/54/82/98/1025548298.db2.gz QZCGJZWDFSGTQQ-UONOGXRCSA-N 1 2 344.405 3.983 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C ZINC000521644084 1025549027 /nfs/dbraw/zinc/54/90/27/1025549027.db2.gz XBDKTAASNHIKAB-CQSZACIVSA-N 1 2 339.439 3.788 20 0 EHADLO CC(=O)c1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C ZINC000521644084 1025549034 /nfs/dbraw/zinc/54/90/34/1025549034.db2.gz XBDKTAASNHIKAB-CQSZACIVSA-N 1 2 339.439 3.788 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442882537 1025562489 /nfs/dbraw/zinc/56/24/89/1025562489.db2.gz DTDRJNJBEQMENZ-NSHDSACASA-N 1 2 330.379 3.703 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1)CCC2 ZINC000442882537 1025562494 /nfs/dbraw/zinc/56/24/94/1025562494.db2.gz DTDRJNJBEQMENZ-NSHDSACASA-N 1 2 330.379 3.703 20 0 EHADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000342450504 1025568884 /nfs/dbraw/zinc/56/88/84/1025568884.db2.gz QJOZZBIQZQFXAA-UHFFFAOYSA-N 1 2 342.414 3.616 20 0 EHADLO CC[C@@]1(C)C[N@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000442888862 1025570086 /nfs/dbraw/zinc/57/00/86/1025570086.db2.gz BYKNOHPABQOOSH-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CC[C@@]1(C)C[N@@H+](Cc2cc(Br)cc3cccnc32)CCO1 ZINC000442888862 1025570096 /nfs/dbraw/zinc/57/00/96/1025570096.db2.gz BYKNOHPABQOOSH-KRWDZBQOSA-N 1 2 349.272 3.998 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000442889013 1025570218 /nfs/dbraw/zinc/57/02/18/1025570218.db2.gz IRTMQDAGEFXHAG-ZDUSSCGKSA-N 1 2 336.501 3.625 20 0 EHADLO COc1cccc(C2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)c1 ZINC000442890551 1025573099 /nfs/dbraw/zinc/57/30/99/1025573099.db2.gz OVCGSRFFFHIQAM-UHFFFAOYSA-N 1 2 339.361 3.817 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000347149814 1025573646 /nfs/dbraw/zinc/57/36/46/1025573646.db2.gz IHMIEFFNLRUTOK-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000347149814 1025573655 /nfs/dbraw/zinc/57/36/55/1025573655.db2.gz IHMIEFFNLRUTOK-LLVKDONJSA-N 1 2 338.224 3.880 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000281835578 1025582002 /nfs/dbraw/zinc/58/20/02/1025582002.db2.gz SJFGMVZVWSRZOE-SFHVURJKSA-N 1 2 325.456 3.573 20 0 EHADLO CC(C)c1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cn1 ZINC000347158218 1025593135 /nfs/dbraw/zinc/59/31/35/1025593135.db2.gz MZXFDKOGAWXJII-UHFFFAOYSA-N 1 2 332.367 3.503 20 0 EHADLO CC(C)(Cc1ccccc1)c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000347164617 1025600698 /nfs/dbraw/zinc/60/06/98/1025600698.db2.gz UUCYBEHXAZCCEV-UHFFFAOYSA-N 1 2 345.406 3.838 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C4CC4)CC3)c2C1 ZINC000179152780 1025618166 /nfs/dbraw/zinc/61/81/66/1025618166.db2.gz BKBGPWCIBIJCDD-UHFFFAOYSA-N 1 2 349.478 3.533 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C4CC4)CC3)c2C1 ZINC000179152780 1025618174 /nfs/dbraw/zinc/61/81/74/1025618174.db2.gz BKBGPWCIBIJCDD-UHFFFAOYSA-N 1 2 349.478 3.533 20 0 EHADLO CCOC(=O)CC(C)(C)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000838854872 1025631138 /nfs/dbraw/zinc/63/11/38/1025631138.db2.gz RSBFJIFMISRUPH-UHFFFAOYSA-N 1 2 338.395 3.573 20 0 EHADLO CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000838854872 1025631147 /nfs/dbraw/zinc/63/11/47/1025631147.db2.gz RSBFJIFMISRUPH-UHFFFAOYSA-N 1 2 338.395 3.573 20 0 EHADLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000179179234 1025645755 /nfs/dbraw/zinc/64/57/55/1025645755.db2.gz YFGWWSPYPLWXHT-UONOGXRCSA-N 1 2 345.443 3.590 20 0 EHADLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000179179234 1025645761 /nfs/dbraw/zinc/64/57/61/1025645761.db2.gz YFGWWSPYPLWXHT-UONOGXRCSA-N 1 2 345.443 3.590 20 0 EHADLO C[C@@H](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)C ZINC000443006662 1025657413 /nfs/dbraw/zinc/65/74/13/1025657413.db2.gz ZRIDTEZUWYUBFV-INIZCTEOSA-N 1 2 346.519 3.812 20 0 EHADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347196399 1025663322 /nfs/dbraw/zinc/66/33/22/1025663322.db2.gz AYOUHPCJZFOCLB-LSDHHAIUSA-N 1 2 329.469 3.544 20 0 EHADLO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC000352304356 1025675347 /nfs/dbraw/zinc/67/53/47/1025675347.db2.gz XZPYUOLVWSSSJL-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC000352304356 1025675355 /nfs/dbraw/zinc/67/53/55/1025675355.db2.gz XZPYUOLVWSSSJL-GOSISDBHSA-N 1 2 336.439 3.704 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001167558453 1025678615 /nfs/dbraw/zinc/67/86/15/1025678615.db2.gz NSDGOAOFIZSSAL-MJGOQNOKSA-N 1 2 346.515 3.934 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001167558453 1025678624 /nfs/dbraw/zinc/67/86/24/1025678624.db2.gz NSDGOAOFIZSSAL-MJGOQNOKSA-N 1 2 346.515 3.934 20 0 EHADLO CCN(CC)c1ncc(C[N@H+](C)Cc2cnc(C(C)C)nc2)s1 ZINC000443064342 1025681579 /nfs/dbraw/zinc/68/15/79/1025681579.db2.gz GFEUPRMBAFFAIH-UHFFFAOYSA-N 1 2 333.505 3.535 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)s1 ZINC000443064342 1025681586 /nfs/dbraw/zinc/68/15/86/1025681586.db2.gz GFEUPRMBAFFAIH-UHFFFAOYSA-N 1 2 333.505 3.535 20 0 EHADLO c1c2c(nn1C1CCCC1)[C@H]([NH2+]Cc1cnc(C3CC3)nc1)CCC2 ZINC000521844823 1025715808 /nfs/dbraw/zinc/71/58/08/1025715808.db2.gz MPJWTGPASDRGLF-GOSISDBHSA-N 1 2 337.471 3.833 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc([S@](C)=O)cc1 ZINC000342470742 1025721273 /nfs/dbraw/zinc/72/12/73/1025721273.db2.gz IKGLDYQEQSVAOM-MYODQAERSA-N 1 2 346.477 3.991 20 0 EHADLO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H](C)c3ncnn3C)cs2)cs1 ZINC000530385935 1025733134 /nfs/dbraw/zinc/73/31/34/1025733134.db2.gz CPYUVBXVNMZLNR-ZJUUUORDSA-N 1 2 333.486 3.720 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000515922208 1025743875 /nfs/dbraw/zinc/74/38/75/1025743875.db2.gz NGNCCAMKUPNDPS-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1cccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000515922208 1025743885 /nfs/dbraw/zinc/74/38/85/1025743885.db2.gz NGNCCAMKUPNDPS-AZUAARDMSA-N 1 2 342.483 3.782 20 0 EHADLO COC[C@H](C)[C@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425566608 1025768149 /nfs/dbraw/zinc/76/81/49/1025768149.db2.gz HVSIQSKGRSIEIN-GJZGRUSLSA-N 1 2 341.455 3.744 20 0 EHADLO COc1ccc(OCCN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000436496625 1025783345 /nfs/dbraw/zinc/78/33/45/1025783345.db2.gz QWVVQOGKYMOPAC-UHFFFAOYSA-N 1 2 343.427 3.558 20 0 EHADLO CC(C)C[N@H+](Cc1ccccn1)Cc1cccnc1Br ZINC000896661055 1025799357 /nfs/dbraw/zinc/79/93/57/1025799357.db2.gz HWCDLLIQBDUGCI-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccn1)Cc1cccnc1Br ZINC000896661055 1025799368 /nfs/dbraw/zinc/79/93/68/1025799368.db2.gz HWCDLLIQBDUGCI-UHFFFAOYSA-N 1 2 334.261 3.897 20 0 EHADLO CCC[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000109759780 1025830114 /nfs/dbraw/zinc/83/01/14/1025830114.db2.gz WAHWDRYLMLRRIH-QGZVFWFLSA-N 1 2 332.488 3.556 20 0 EHADLO CCOc1ccc(CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)cc1 ZINC000522005936 1025876756 /nfs/dbraw/zinc/87/67/56/1025876756.db2.gz IKVNRYSDPVEGQZ-MRXNPFEDSA-N 1 2 329.444 3.670 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000436571825 1025902144 /nfs/dbraw/zinc/90/21/44/1025902144.db2.gz XBMIQMJBSWJIEW-UHFFFAOYSA-N 1 2 349.434 3.940 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000474956595 1025949947 /nfs/dbraw/zinc/94/99/47/1025949947.db2.gz VMBJRAKHHMDQLZ-YLJYHZDGSA-N 1 2 341.451 3.828 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000474956595 1025949956 /nfs/dbraw/zinc/94/99/56/1025949956.db2.gz VMBJRAKHHMDQLZ-YLJYHZDGSA-N 1 2 341.451 3.828 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCCCCCC2)c(Br)c1 ZINC000007486823 1025956680 /nfs/dbraw/zinc/95/66/80/1025956680.db2.gz TXNCVUFGESRAAU-UHFFFAOYSA-N 1 2 339.277 3.962 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[C@@H]1C ZINC000451474129 1025988587 /nfs/dbraw/zinc/98/85/87/1025988587.db2.gz YFFGGNVOQUPDFB-VSZNYVQBSA-N 1 2 343.515 3.998 20 0 EHADLO CO[C@@H]1CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141915896 1026029954 /nfs/dbraw/zinc/02/99/54/1026029954.db2.gz WBFNHTWIELTSQB-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451472579 1026019243 /nfs/dbraw/zinc/01/92/43/1026019243.db2.gz STTYLCUHHOHBML-LZLYRXPVSA-N 1 2 329.488 3.608 20 0 EHADLO CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001141915896 1026029974 /nfs/dbraw/zinc/02/99/74/1026029974.db2.gz WBFNHTWIELTSQB-LLVKDONJSA-N 1 2 334.204 3.728 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)[nH+]c1C ZINC000896924281 1026049325 /nfs/dbraw/zinc/04/93/25/1026049325.db2.gz VEZDDAKMWDFJNZ-OAHLLOKOSA-N 1 2 329.444 3.542 20 0 EHADLO Cc1c(CN(C)c2[nH+]ccc3cc(Br)ccc32)cnn1C ZINC000516161307 1026069450 /nfs/dbraw/zinc/06/94/50/1026069450.db2.gz QBGCWUDNMBXLCN-UHFFFAOYSA-N 1 2 345.244 3.676 20 0 EHADLO Cc1noc(C2CC2)c1-c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820682 1026081694 /nfs/dbraw/zinc/08/16/94/1026081694.db2.gz KKROOGJGWHBIFQ-UHFFFAOYSA-N 1 2 347.378 3.687 20 0 EHADLO CO[C@H]1CCCC[C@@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820905 1026081834 /nfs/dbraw/zinc/08/18/34/1026081834.db2.gz MCVXNEADVAYEJJ-IRXDYDNUSA-N 1 2 338.411 3.519 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451541100 1026089530 /nfs/dbraw/zinc/08/95/30/1026089530.db2.gz LMKCJCKQLYFPLX-IAQYHMDHSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000451541100 1026089549 /nfs/dbraw/zinc/08/95/49/1026089549.db2.gz LMKCJCKQLYFPLX-IAQYHMDHSA-N 1 2 345.270 3.679 20 0 EHADLO COCCc1noc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)n1 ZINC000103465441 1026090292 /nfs/dbraw/zinc/09/02/92/1026090292.db2.gz FEDLDSVTOJKEGI-FQEVSTJZSA-N 1 2 345.487 3.944 20 0 EHADLO C[C@@H]1Cc2cc(C[NH2+]Cc3csc(C(F)(F)F)n3)ccc2O1 ZINC000896824395 1026098012 /nfs/dbraw/zinc/09/80/12/1026098012.db2.gz ILEOOKCOLRTVHA-SECBINFHSA-N 1 2 328.359 3.775 20 0 EHADLO CC(C)CCO[C@@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825087 1026100660 /nfs/dbraw/zinc/10/06/60/1026100660.db2.gz FYHUWFSLXRCASK-HNNXBMFYSA-N 1 2 340.427 3.970 20 0 EHADLO Cc1nc(C2CC2)oc1-c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822312 1026107760 /nfs/dbraw/zinc/10/77/60/1026107760.db2.gz BKBABMQYPXXXFA-UHFFFAOYSA-N 1 2 347.378 3.687 20 0 EHADLO CCn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccccc2)n1 ZINC000896939287 1026126788 /nfs/dbraw/zinc/12/67/88/1026126788.db2.gz XWLAVCBQHMXDGN-UHFFFAOYSA-N 1 2 347.466 3.660 20 0 EHADLO CCn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccccc2)n1 ZINC000896939287 1026126792 /nfs/dbraw/zinc/12/67/92/1026126792.db2.gz XWLAVCBQHMXDGN-UHFFFAOYSA-N 1 2 347.466 3.660 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cc(-c3ccccc3)no1)CCO2 ZINC000451645097 1026184286 /nfs/dbraw/zinc/18/42/86/1026184286.db2.gz YJIONHLITLUXMI-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cc(-c3ccccc3)no1)CCO2 ZINC000451645097 1026184292 /nfs/dbraw/zinc/18/42/92/1026184292.db2.gz YJIONHLITLUXMI-UHFFFAOYSA-N 1 2 336.391 3.745 20 0 EHADLO COCC[C@H]([NH2+]Cc1nccc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000451698624 1026217375 /nfs/dbraw/zinc/21/73/75/1026217375.db2.gz ZKZRAAHRBPLDHK-HNNXBMFYSA-N 1 2 339.361 3.671 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000122109012 1026241285 /nfs/dbraw/zinc/24/12/85/1026241285.db2.gz MZFHKFUVWWKSDV-GUTXKFCHSA-N 1 2 337.533 3.511 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000122109012 1026241296 /nfs/dbraw/zinc/24/12/96/1026241296.db2.gz MZFHKFUVWWKSDV-GUTXKFCHSA-N 1 2 337.533 3.511 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CCCc2ccccc2CC1 ZINC000451717146 1026249258 /nfs/dbraw/zinc/24/92/58/1026249258.db2.gz NKCITMFYMJLWIN-CYBMUJFWSA-N 1 2 346.272 3.791 20 0 EHADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CCCc2ccccc2CC1 ZINC000451717146 1026249270 /nfs/dbraw/zinc/24/92/70/1026249270.db2.gz NKCITMFYMJLWIN-CYBMUJFWSA-N 1 2 346.272 3.791 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000248091629 1026318308 /nfs/dbraw/zinc/31/83/08/1026318308.db2.gz HAFPGWALJBFFEY-UHFFFAOYSA-N 1 2 340.858 3.618 20 0 EHADLO COC(=O)c1coc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000582454259 1026319724 /nfs/dbraw/zinc/31/97/24/1026319724.db2.gz SQDHEVOUVOOHNY-UHFFFAOYSA-N 1 2 349.255 3.653 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(F)cc2)s1 ZINC000122212795 1026320167 /nfs/dbraw/zinc/32/01/67/1026320167.db2.gz GNFBBOIIYUBDAL-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(F)cc2)s1 ZINC000122212795 1026320179 /nfs/dbraw/zinc/32/01/79/1026320179.db2.gz GNFBBOIIYUBDAL-LBPRGKRZSA-N 1 2 335.448 3.785 20 0 EHADLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000342571921 1026323212 /nfs/dbraw/zinc/32/32/12/1026323212.db2.gz FAVFNHNNBYLCED-ZDUSSCGKSA-N 1 2 343.496 3.533 20 0 EHADLO CCC[C@@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475191568 1026324278 /nfs/dbraw/zinc/32/42/78/1026324278.db2.gz QJETYVMJRXMDMT-HXUWFJFHSA-N 1 2 331.504 3.589 20 0 EHADLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000582462436 1026332922 /nfs/dbraw/zinc/33/29/22/1026332922.db2.gz WPGGHPVTFUOUTD-ZWKOTPCHSA-N 1 2 346.434 3.724 20 0 EHADLO CCn1cc([C@@H](C)[NH2+]Cc2nc3ccc(Br)cc3o2)cn1 ZINC000451885774 1026353524 /nfs/dbraw/zinc/35/35/24/1026353524.db2.gz BIZIILMZLWHSBX-SNVBAGLBSA-N 1 2 349.232 3.658 20 0 EHADLO Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000444329834 1026358235 /nfs/dbraw/zinc/35/82/35/1026358235.db2.gz KZXUDJWBLPOBCU-INIZCTEOSA-N 1 2 335.407 3.505 20 0 EHADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000511132451 1026362258 /nfs/dbraw/zinc/36/22/58/1026362258.db2.gz TUNUEHKXNNOCMR-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000511132451 1026362263 /nfs/dbraw/zinc/36/22/63/1026362263.db2.gz TUNUEHKXNNOCMR-UHFFFAOYSA-N 1 2 336.407 3.757 20 0 EHADLO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530863490 1026364933 /nfs/dbraw/zinc/36/49/33/1026364933.db2.gz JXVIQOXGFJFELY-ZDUSSCGKSA-N 1 2 339.277 3.900 20 0 EHADLO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530863490 1026364941 /nfs/dbraw/zinc/36/49/41/1026364941.db2.gz JXVIQOXGFJFELY-ZDUSSCGKSA-N 1 2 339.277 3.900 20 0 EHADLO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(F)cc1Cl ZINC000451961576 1026399014 /nfs/dbraw/zinc/39/90/14/1026399014.db2.gz DMGUDKMSZFYBIE-INIZCTEOSA-N 1 2 342.867 3.637 20 0 EHADLO O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(F)cc1Cl ZINC000451961576 1026399028 /nfs/dbraw/zinc/39/90/28/1026399028.db2.gz DMGUDKMSZFYBIE-INIZCTEOSA-N 1 2 342.867 3.637 20 0 EHADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F)c1ccccc1 ZINC000451965554 1026403396 /nfs/dbraw/zinc/40/33/96/1026403396.db2.gz KTBJSHBBILVBOS-SFHVURJKSA-N 1 2 330.378 3.765 20 0 EHADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F)c1ccccc1 ZINC000451965554 1026403401 /nfs/dbraw/zinc/40/34/01/1026403401.db2.gz KTBJSHBBILVBOS-SFHVURJKSA-N 1 2 330.378 3.765 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122316839 1026404464 /nfs/dbraw/zinc/40/44/64/1026404464.db2.gz JNYWCXGGEDNOTA-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122316839 1026404471 /nfs/dbraw/zinc/40/44/71/1026404471.db2.gz JNYWCXGGEDNOTA-UHFFFAOYSA-N 1 2 329.831 3.647 20 0 EHADLO CC(C)(C)n1ncnc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451971211 1026427522 /nfs/dbraw/zinc/42/75/22/1026427522.db2.gz ZNDOREJYXZSVSI-UHFFFAOYSA-N 1 2 348.441 3.766 20 0 EHADLO Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)c(C)[nH+]1 ZINC000097040032 1026428496 /nfs/dbraw/zinc/42/84/96/1026428496.db2.gz KRWHRGRQBMZZCB-UHFFFAOYSA-N 1 2 349.228 3.787 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000475294412 1026437597 /nfs/dbraw/zinc/43/75/97/1026437597.db2.gz ZKOVCGCFGUFNOB-MEBBXXQBSA-N 1 2 331.790 3.941 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000475294412 1026437599 /nfs/dbraw/zinc/43/75/99/1026437599.db2.gz ZKOVCGCFGUFNOB-MEBBXXQBSA-N 1 2 331.790 3.941 20 0 EHADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)n1C1CC1 ZINC000024750026 1026452870 /nfs/dbraw/zinc/45/28/70/1026452870.db2.gz GBCWNYVJRCBYBW-UHFFFAOYSA-N 1 2 348.450 3.615 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159156698 1026503785 /nfs/dbraw/zinc/50/37/85/1026503785.db2.gz BCYWRYUOVBYJCN-HOTGVXAUSA-N 1 2 342.443 3.662 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc2c1CCCC2 ZINC000277678529 1026528254 /nfs/dbraw/zinc/52/82/54/1026528254.db2.gz WNEUDSVUFBBKPM-UHFFFAOYSA-N 1 2 345.512 3.938 20 0 EHADLO CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475381549 1026542998 /nfs/dbraw/zinc/54/29/98/1026542998.db2.gz NLZNFWJAWSZEPU-QGZVFWFLSA-N 1 2 328.460 3.835 20 0 EHADLO C[C@@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCOC1 ZINC000277684391 1026543984 /nfs/dbraw/zinc/54/39/84/1026543984.db2.gz LVVPQRISKBNTQV-HXUWFJFHSA-N 1 2 339.439 3.642 20 0 EHADLO CC(C)c1cc(NC[C@]2(c3cnn(C)c3)CCCO2)nc(C(C)C)[nH+]1 ZINC000897256475 1026591287 /nfs/dbraw/zinc/59/12/87/1026591287.db2.gz BSWDZJMOYBONCQ-IBGZPJMESA-N 1 2 343.475 3.575 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)ccn12 ZINC000563392784 1026591966 /nfs/dbraw/zinc/59/19/66/1026591966.db2.gz PXOPXDPMFNBLKG-CRAIPNDOSA-N 1 2 337.398 3.848 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000665625419 1026609997 /nfs/dbraw/zinc/60/99/97/1026609997.db2.gz CIZLLUTVJLGRJV-RVKKMQEKSA-N 1 2 345.487 3.606 20 0 EHADLO CC[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000665625419 1026610005 /nfs/dbraw/zinc/61/00/05/1026610005.db2.gz CIZLLUTVJLGRJV-RVKKMQEKSA-N 1 2 345.487 3.606 20 0 EHADLO c1csc(C[NH+]2CCN(Cc3cnc(C4CCC4)s3)CC2)c1 ZINC000119908288 1026612198 /nfs/dbraw/zinc/61/21/98/1026612198.db2.gz JLQUQAXRCJZOJK-UHFFFAOYSA-N 1 2 333.526 3.790 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1nc(C2CC2)no1 ZINC000639568983 1026656787 /nfs/dbraw/zinc/65/67/87/1026656787.db2.gz FEDLOVDFZKANLJ-QGZVFWFLSA-N 1 2 327.428 3.507 20 0 EHADLO Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)nc(C(C)C)[nH+]1 ZINC000301065240 1026673396 /nfs/dbraw/zinc/67/33/96/1026673396.db2.gz BPSKDLKPFXOKOV-UHFFFAOYSA-N 1 2 340.349 3.857 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCc1cccs1 ZINC000277722347 1026689227 /nfs/dbraw/zinc/68/92/27/1026689227.db2.gz ZIWCEVAWDLHNNS-UHFFFAOYSA-N 1 2 333.501 3.769 20 0 EHADLO O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1c[nH+]c2n1CCCC2 ZINC000452336253 1026691805 /nfs/dbraw/zinc/69/18/05/1026691805.db2.gz USENZRGHAZVXIR-ZDUSSCGKSA-N 1 2 337.345 3.894 20 0 EHADLO Cc1cc(NCc2ccc(CN3CCCC3=O)cc2)nc(C(C)C)[nH+]1 ZINC000301121920 1026693736 /nfs/dbraw/zinc/69/37/36/1026693736.db2.gz SHZGHQUWUJUFLP-UHFFFAOYSA-N 1 2 338.455 3.643 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122720509 1026706536 /nfs/dbraw/zinc/70/65/36/1026706536.db2.gz LMUKRAHVXOEPDZ-YOEHRIQHSA-N 1 2 331.847 3.579 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@@H](COC)C1 ZINC000301366018 1026777445 /nfs/dbraw/zinc/77/74/45/1026777445.db2.gz QYVXXIUGRULUQR-OAHLLOKOSA-N 1 2 342.439 3.583 20 0 EHADLO Cn1ccnc1[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(F)cc1 ZINC000342706231 1026786433 /nfs/dbraw/zinc/78/64/33/1026786433.db2.gz RMZNHZRJQLIPKL-QGZVFWFLSA-N 1 2 335.386 3.647 20 0 EHADLO CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccncc1 ZINC000301402357 1026793252 /nfs/dbraw/zinc/79/32/52/1026793252.db2.gz RBULIPFTCHZVNB-KRWDZBQOSA-N 1 2 330.395 3.774 20 0 EHADLO COc1cccc(F)c1[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301417511 1026798495 /nfs/dbraw/zinc/79/84/95/1026798495.db2.gz BBMRCJBMYHYFRW-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO COc1cccc(F)c1[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301417511 1026798502 /nfs/dbraw/zinc/79/85/02/1026798502.db2.gz BBMRCJBMYHYFRW-CYBMUJFWSA-N 1 2 330.407 3.788 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000342717616 1026823826 /nfs/dbraw/zinc/82/38/26/1026823826.db2.gz WOVGDLNNDVOASN-UHFFFAOYSA-N 1 2 335.517 3.681 20 0 EHADLO O=C(c1csc2ccccc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000025391277 1026837107 /nfs/dbraw/zinc/83/71/07/1026837107.db2.gz XLBQMQDALMLRLN-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO CC(C)c1nsc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000301524740 1026839325 /nfs/dbraw/zinc/83/93/25/1026839325.db2.gz PGIIBCOOKWOONR-GFCCVEGCSA-N 1 2 326.416 3.655 20 0 EHADLO Cc1nc(NCc2ccccc2Cn2cccn2)c2c([nH+]1)CCCC2 ZINC000301548818 1026850022 /nfs/dbraw/zinc/85/00/22/1026850022.db2.gz FZGLHEPGMSVIBT-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO O=C(C[C@@H]1CCCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277773707 1026886542 /nfs/dbraw/zinc/88/65/42/1026886542.db2.gz STLMMQITDWLXNG-SFHVURJKSA-N 1 2 339.439 3.784 20 0 EHADLO CN(CCCn1cc[nH+]c1)c1ccc2cc(Br)ccc2n1 ZINC000301684891 1026900864 /nfs/dbraw/zinc/90/08/64/1026900864.db2.gz HMIYPHAUAFMBQW-UHFFFAOYSA-N 1 2 345.244 3.720 20 0 EHADLO C[C@@H](C[C@@H](O)c1ccccc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301851379 1026963460 /nfs/dbraw/zinc/96/34/60/1026963460.db2.gz ANBVVIQVQMNETI-XJKSGUPXSA-N 1 2 339.443 3.505 20 0 EHADLO Cc1cc(-c2nnc(C[NH2+][C@H](CCCO)c3ccccc3)o2)c(C)o1 ZINC000305774851 1026967426 /nfs/dbraw/zinc/96/74/26/1026967426.db2.gz MWNATURXLDXCOT-QGZVFWFLSA-N 1 2 341.411 3.550 20 0 EHADLO C[C@@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301878797 1026976768 /nfs/dbraw/zinc/97/67/68/1026976768.db2.gz JJXLSLFTQDGOSB-LBPRGKRZSA-N 1 2 327.407 3.764 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCc2ccc(F)cc21 ZINC000301904970 1026988712 /nfs/dbraw/zinc/98/87/12/1026988712.db2.gz YIQPPLJIKBRTIJ-OAHLLOKOSA-N 1 2 325.391 3.820 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(NC5CC5)[nH+]cn4)C3)nc2c1 ZINC000665691665 1027015448 /nfs/dbraw/zinc/01/54/48/1027015448.db2.gz LQFDPQXVEAHBDT-ZDUSSCGKSA-N 1 2 335.411 3.576 20 0 EHADLO c1ccc2oc([C@H]3CCCN(c4cc(NC5CC5)nc[nH+]4)C3)nc2c1 ZINC000665691665 1027015456 /nfs/dbraw/zinc/01/54/56/1027015456.db2.gz LQFDPQXVEAHBDT-ZDUSSCGKSA-N 1 2 335.411 3.576 20 0 EHADLO c1ccc(Cc2nccc(NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000302026145 1027027363 /nfs/dbraw/zinc/02/73/63/1027027363.db2.gz KYABOWDHTOINGA-UHFFFAOYSA-N 1 2 345.450 3.543 20 0 EHADLO Cc1nc(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302096454 1027052660 /nfs/dbraw/zinc/05/26/60/1027052660.db2.gz OHLBSWQQXCBPGY-ROUUACIJSA-N 1 2 345.393 3.884 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)N(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302126966 1027061096 /nfs/dbraw/zinc/06/10/96/1027061096.db2.gz ISVGNMKTLKEAPR-CJNGLKHVSA-N 1 2 336.443 3.564 20 0 EHADLO CC(C)(O)[C@@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000302132239 1027064628 /nfs/dbraw/zinc/06/46/28/1027064628.db2.gz KULWEXUQZYMLEB-AWEZNQCLSA-N 1 2 335.245 3.737 20 0 EHADLO CCSc1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000531580879 1027068702 /nfs/dbraw/zinc/06/87/02/1027068702.db2.gz UCMKURWOQMJCQG-GOEBONIOSA-N 1 2 329.469 3.718 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023312 1027080390 /nfs/dbraw/zinc/08/03/90/1027080390.db2.gz HOUJXRRYAJQUBW-LBPRGKRZSA-N 1 2 331.865 3.508 20 0 EHADLO CCOC(=O)CCCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023312 1027080393 /nfs/dbraw/zinc/08/03/93/1027080393.db2.gz HOUJXRRYAJQUBW-LBPRGKRZSA-N 1 2 331.865 3.508 20 0 EHADLO Clc1cccc([C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)c1 ZINC000302226135 1027096346 /nfs/dbraw/zinc/09/63/46/1027096346.db2.gz VWFROLLTYFHLPM-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1cccc([C@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCO2)c1 ZINC000302226135 1027096358 /nfs/dbraw/zinc/09/63/58/1027096358.db2.gz VWFROLLTYFHLPM-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000685010553 1027096637 /nfs/dbraw/zinc/09/66/37/1027096637.db2.gz GSNGEVFOVPQWPR-GFCCVEGCSA-N 1 2 326.425 3.939 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(C(F)F)CC3)ccc21 ZINC000640172303 1027119192 /nfs/dbraw/zinc/11/91/92/1027119192.db2.gz DWZYMTDIOUNRCI-UHFFFAOYSA-N 1 2 348.397 3.810 20 0 EHADLO C[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000125774766 1027121223 /nfs/dbraw/zinc/12/12/23/1027121223.db2.gz GSZCFTDFBXARME-MOAASNJQSA-N 1 2 327.472 3.509 20 0 EHADLO CC[C@@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000277835275 1027128413 /nfs/dbraw/zinc/12/84/13/1027128413.db2.gz YXOMPRBEHHIYEQ-DOMZBBRYSA-N 1 2 339.361 3.638 20 0 EHADLO Cc1cnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000342799181 1027140149 /nfs/dbraw/zinc/14/01/49/1027140149.db2.gz IJEZMSOSMPYYFT-GFCCVEGCSA-N 1 2 342.270 3.935 20 0 EHADLO Cc1cnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000342799181 1027140170 /nfs/dbraw/zinc/14/01/70/1027140170.db2.gz IJEZMSOSMPYYFT-GFCCVEGCSA-N 1 2 342.270 3.935 20 0 EHADLO CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533926 1027145981 /nfs/dbraw/zinc/14/59/81/1027145981.db2.gz UGHSJZFPYOVUIG-CQSZACIVSA-N 1 2 329.469 3.930 20 0 EHADLO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075534330 1027146845 /nfs/dbraw/zinc/14/68/45/1027146845.db2.gz PUIKVZJUODVYDI-RDJZCZTQSA-N 1 2 341.455 3.707 20 0 EHADLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000126029349 1027152484 /nfs/dbraw/zinc/15/24/84/1027152484.db2.gz LKEYASTXVNWAAK-SECBINFHSA-N 1 2 343.736 3.756 20 0 EHADLO CN(Cc1ccc(F)cc1Cl)c1cc(N2CCCCC2)[nH+]cn1 ZINC000501250453 1027154628 /nfs/dbraw/zinc/15/46/28/1027154628.db2.gz LNJITOQXAZWXBO-UHFFFAOYSA-N 1 2 334.826 3.896 20 0 EHADLO CN(Cc1ccc(F)cc1Cl)c1cc(N2CCCCC2)nc[nH+]1 ZINC000501250453 1027154643 /nfs/dbraw/zinc/15/46/43/1027154643.db2.gz LNJITOQXAZWXBO-UHFFFAOYSA-N 1 2 334.826 3.896 20 0 EHADLO CCc1ccc([C@H]2COCCN2Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000126044936 1027156533 /nfs/dbraw/zinc/15/65/33/1027156533.db2.gz WKKJDVITFNQJSA-LJQANCHMSA-N 1 2 337.423 3.601 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556109 1027172081 /nfs/dbraw/zinc/17/20/81/1027172081.db2.gz OZIXJIPOHMVPIV-LJQANCHMSA-N 1 2 345.446 3.948 20 0 EHADLO C[C@@H](CC(C)(C)C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454219617 1027191690 /nfs/dbraw/zinc/19/16/90/1027191690.db2.gz LAMWFTIYHMXLGM-HNNXBMFYSA-N 1 2 328.460 3.555 20 0 EHADLO COc1cccc2c(NCCc3nnc(-c4ccccc4)o3)cc[nH+]c12 ZINC000302565938 1027195986 /nfs/dbraw/zinc/19/59/86/1027195986.db2.gz WJIUKFHXWSWJEE-UHFFFAOYSA-N 1 2 346.390 3.948 20 0 EHADLO CCCCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000075972034 1027216030 /nfs/dbraw/zinc/21/60/30/1027216030.db2.gz CNHMKSQHBVKVTE-UHFFFAOYSA-N 1 2 340.471 3.926 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C)c3ccccc3n1)CCCO2 ZINC000531706618 1027227478 /nfs/dbraw/zinc/22/74/78/1027227478.db2.gz LPRCIDTXQUEURK-SFHVURJKSA-N 1 2 349.434 3.950 20 0 EHADLO Cn1c(NCc2ccnn2C2CCCC2)[nH+]c2cccc(Cl)c21 ZINC000453048808 1027261985 /nfs/dbraw/zinc/26/19/85/1027261985.db2.gz OUSSYRGIALGEHU-UHFFFAOYSA-N 1 2 329.835 3.572 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c(C)s1 ZINC000302801851 1027301368 /nfs/dbraw/zinc/30/13/68/1027301368.db2.gz UKQMXPJQHYLWTK-LBPRGKRZSA-N 1 2 334.514 3.881 20 0 EHADLO Cc1cc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c(C)s1 ZINC000302801851 1027301387 /nfs/dbraw/zinc/30/13/87/1027301387.db2.gz UKQMXPJQHYLWTK-LBPRGKRZSA-N 1 2 334.514 3.881 20 0 EHADLO CC(C)c1noc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804813 1027305358 /nfs/dbraw/zinc/30/53/58/1027305358.db2.gz FHTAISVFBANQBN-UONOGXRCSA-N 1 2 338.814 3.843 20 0 EHADLO CC(C)c1noc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302804813 1027305385 /nfs/dbraw/zinc/30/53/85/1027305385.db2.gz FHTAISVFBANQBN-UONOGXRCSA-N 1 2 338.814 3.843 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123435843 1027306168 /nfs/dbraw/zinc/30/61/68/1027306168.db2.gz AWRRLHZOJOYGGN-BONVTDFDSA-N 1 2 339.773 3.538 20 0 EHADLO Cc1nc2ccccc2nc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000076836288 1027331066 /nfs/dbraw/zinc/33/10/66/1027331066.db2.gz TXBOCUCJZASDOH-UHFFFAOYSA-N 1 2 333.439 3.936 20 0 EHADLO CC(C)COc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302874149 1027337548 /nfs/dbraw/zinc/33/75/48/1027337548.db2.gz DBXSLHTZUZFKTB-UHFFFAOYSA-N 1 2 326.444 3.724 20 0 EHADLO CC(C)COc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302874149 1027337565 /nfs/dbraw/zinc/33/75/65/1027337565.db2.gz DBXSLHTZUZFKTB-UHFFFAOYSA-N 1 2 326.444 3.724 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)c2ncnn21 ZINC000657567333 1027348511 /nfs/dbraw/zinc/34/85/11/1027348511.db2.gz PZINVGYGVRCCTO-BEFAXECRSA-N 1 2 334.423 3.653 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000302899361 1027353069 /nfs/dbraw/zinc/35/30/69/1027353069.db2.gz QDKFZOFGEOTQHP-GDBMZVCRSA-N 1 2 326.419 3.598 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000302899361 1027353090 /nfs/dbraw/zinc/35/30/90/1027353090.db2.gz QDKFZOFGEOTQHP-GDBMZVCRSA-N 1 2 326.419 3.598 20 0 EHADLO CCS[C@H]1CCCC[C@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302918723 1027360835 /nfs/dbraw/zinc/36/08/35/1027360835.db2.gz YANIIEIXEBLSFC-KGLIPLIRSA-N 1 2 338.546 3.506 20 0 EHADLO CCS[C@H]1CCCC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302918723 1027360855 /nfs/dbraw/zinc/36/08/55/1027360855.db2.gz YANIIEIXEBLSFC-KGLIPLIRSA-N 1 2 338.546 3.506 20 0 EHADLO CCCCc1nc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273395325 1027412292 /nfs/dbraw/zinc/41/22/92/1027412292.db2.gz FSOYMMUHDRRDJZ-SJORKVTESA-N 1 2 347.434 3.903 20 0 EHADLO CCCCc1nc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)no1 ZINC000273395325 1027412299 /nfs/dbraw/zinc/41/22/99/1027412299.db2.gz FSOYMMUHDRRDJZ-SJORKVTESA-N 1 2 347.434 3.903 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCCC[C@H]1c1ccco1 ZINC000077591711 1027434526 /nfs/dbraw/zinc/43/45/26/1027434526.db2.gz FJKWKIMUOSESRB-INIZCTEOSA-N 1 2 342.443 3.639 20 0 EHADLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2C1 ZINC000128654697 1027464921 /nfs/dbraw/zinc/46/49/21/1027464921.db2.gz LFARMWSMPZEHSA-UHFFFAOYSA-N 1 2 348.443 3.598 20 0 EHADLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2C1 ZINC000128654697 1027464929 /nfs/dbraw/zinc/46/49/29/1027464929.db2.gz LFARMWSMPZEHSA-UHFFFAOYSA-N 1 2 348.443 3.598 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)[nH]1 ZINC000342825643 1027471176 /nfs/dbraw/zinc/47/11/76/1027471176.db2.gz LAUFXZFFNNMREO-LBPRGKRZSA-N 1 2 328.391 3.925 20 0 EHADLO C[N@H+](Cc1noc(C(C)(C)C)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273521790 1027472024 /nfs/dbraw/zinc/47/20/24/1027472024.db2.gz QCRVGBYOXZSYQY-CVEARBPZSA-N 1 2 347.434 3.858 20 0 EHADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273521790 1027472028 /nfs/dbraw/zinc/47/20/28/1027472028.db2.gz QCRVGBYOXZSYQY-CVEARBPZSA-N 1 2 347.434 3.858 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000414452153 1027485078 /nfs/dbraw/zinc/48/50/78/1027485078.db2.gz LSOSJXOROMFPHM-HNNXBMFYSA-N 1 2 335.494 3.531 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000414452153 1027485086 /nfs/dbraw/zinc/48/50/86/1027485086.db2.gz LSOSJXOROMFPHM-HNNXBMFYSA-N 1 2 335.494 3.531 20 0 EHADLO COc1ccc(-c2nc(C(=O)Nc3cc(C)[nH+]cc3C)cs2)cc1 ZINC000536575132 1027490127 /nfs/dbraw/zinc/49/01/27/1027490127.db2.gz DFWABPKHMRTICW-UHFFFAOYSA-N 1 2 339.420 3.505 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c(C)c[nH+]1 ZINC000536574852 1027500928 /nfs/dbraw/zinc/50/09/28/1027500928.db2.gz QVMDAHJCHIDODQ-OAHLLOKOSA-N 1 2 326.440 3.824 20 0 EHADLO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582755783 1027594935 /nfs/dbraw/zinc/59/49/35/1027594935.db2.gz BNGJDMZKKWDWJI-LPHOPBHVSA-N 1 2 339.483 3.805 20 0 EHADLO CC[C@@](C)(NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000664252465 1027598391 /nfs/dbraw/zinc/59/83/91/1027598391.db2.gz OOHNJMYRFXQHBZ-YLJYHZDGSA-N 1 2 340.471 3.582 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@@]3(CO)CCc4ccccc43)co2)cc1 ZINC000305203803 1027601153 /nfs/dbraw/zinc/60/11/53/1027601153.db2.gz YCEMGNCRNMIHEX-OAQYLSRUSA-N 1 2 334.419 3.574 20 0 EHADLO c1ccc(-c2nc3c(s2)CN(c2cc(NC4CC4)[nH+]cn2)CC3)cc1 ZINC000664304470 1027601125 /nfs/dbraw/zinc/60/11/25/1027601125.db2.gz VMROKQHCLLUMRN-UHFFFAOYSA-N 1 2 349.463 3.737 20 0 EHADLO c1ccc(-c2nc3c(s2)CN(c2cc(NC4CC4)nc[nH+]2)CC3)cc1 ZINC000664304470 1027601136 /nfs/dbraw/zinc/60/11/36/1027601136.db2.gz VMROKQHCLLUMRN-UHFFFAOYSA-N 1 2 349.463 3.737 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655719661 1027618019 /nfs/dbraw/zinc/61/80/19/1027618019.db2.gz YLGCTEPMOPRIAB-GFCCVEGCSA-N 1 2 327.762 3.763 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCCC[C@@H]3C)cn2c1 ZINC000501907747 1027631863 /nfs/dbraw/zinc/63/18/63/1027631863.db2.gz LYOXOTOLIVXHNH-RDJZCZTQSA-N 1 2 345.512 3.913 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000501924738 1027640818 /nfs/dbraw/zinc/64/08/18/1027640818.db2.gz CNEAKEMYEHGSSP-UHFFFAOYSA-N 1 2 330.453 3.657 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000501924738 1027640823 /nfs/dbraw/zinc/64/08/23/1027640823.db2.gz CNEAKEMYEHGSSP-UHFFFAOYSA-N 1 2 330.453 3.657 20 0 EHADLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000614782222 1027671742 /nfs/dbraw/zinc/67/17/42/1027671742.db2.gz IPJGXPWXDJRAKC-BRWVUGGUSA-N 1 2 345.874 3.733 20 0 EHADLO O=C(N[C@H](CC(F)F)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000422269620 1027678255 /nfs/dbraw/zinc/67/82/55/1027678255.db2.gz VOBZASZAGUCDMY-LSDHHAIUSA-N 1 2 348.397 3.695 20 0 EHADLO CCOc1ccc(Br)c(F)c1NCc1cc[nH+]c(N)c1 ZINC001167616678 1027689691 /nfs/dbraw/zinc/68/96/91/1027689691.db2.gz MDUOHZGZMIZNAG-UHFFFAOYSA-N 1 2 340.196 3.576 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130653116 1027690461 /nfs/dbraw/zinc/69/04/61/1027690461.db2.gz VSGDTEKCBLAGRO-IAGOWNOFSA-N 1 2 343.471 3.604 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(Cc3ccccc3C)o2)C1(C)C ZINC000130653116 1027690462 /nfs/dbraw/zinc/69/04/62/1027690462.db2.gz VSGDTEKCBLAGRO-IAGOWNOFSA-N 1 2 343.471 3.604 20 0 EHADLO CCOC(CSc1ccccc1NCc1cc[nH+]c(N)c1)OCC ZINC001167616298 1027693498 /nfs/dbraw/zinc/69/34/98/1027693498.db2.gz FIVOKCLUVKSYGX-UHFFFAOYSA-N 1 2 347.484 3.767 20 0 EHADLO CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCn1cc[nH+]c1 ZINC000268247122 1027699249 /nfs/dbraw/zinc/69/92/49/1027699249.db2.gz JDANKGZMQDYEEL-UHFFFAOYSA-N 1 2 340.349 3.753 20 0 EHADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459340712 1027730110 /nfs/dbraw/zinc/73/01/10/1027730110.db2.gz BWQYNUGSSLVZNB-NSHDSACASA-N 1 2 340.452 3.862 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000934651085 1027730774 /nfs/dbraw/zinc/73/07/74/1027730774.db2.gz CTKUNFXTRVOVLB-DYVFJYSZSA-N 1 2 339.439 3.954 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnc(C3CC3)nc2)cc1 ZINC000459343196 1027747202 /nfs/dbraw/zinc/74/72/02/1027747202.db2.gz LNNVRHWKYYRQEL-SFHVURJKSA-N 1 2 325.481 3.953 20 0 EHADLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cnc(C3CC3)nc2)cc1 ZINC000459343196 1027747218 /nfs/dbraw/zinc/74/72/18/1027747218.db2.gz LNNVRHWKYYRQEL-SFHVURJKSA-N 1 2 325.481 3.953 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000420791556 1027752063 /nfs/dbraw/zinc/75/20/63/1027752063.db2.gz HXIAYMDKNKDCEU-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO COC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(Cl)c1 ZINC000420835231 1027766705 /nfs/dbraw/zinc/76/67/05/1027766705.db2.gz GHKZGBPCBIPGLP-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO Cc1cc(CNC(=O)N2CCc3cccc(Cl)c3C2)cc(C)[nH+]1 ZINC000420863567 1027780461 /nfs/dbraw/zinc/78/04/61/1027780461.db2.gz RTHCXTHCCQGDMI-UHFFFAOYSA-N 1 2 329.831 3.620 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000503415928 1027782512 /nfs/dbraw/zinc/78/25/12/1027782512.db2.gz TVPYRTUYJKMZSR-ROUUACIJSA-N 1 2 340.471 3.886 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420840265 1027783649 /nfs/dbraw/zinc/78/36/49/1027783649.db2.gz AMTAATGFICHZNA-LJQANCHMSA-N 1 2 339.439 3.754 20 0 EHADLO Cc1ccc([C@@]2(C)CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000420849862 1027792421 /nfs/dbraw/zinc/79/24/21/1027792421.db2.gz OVXFIPDWLWZVFK-NRFANRHFSA-N 1 2 337.467 3.880 20 0 EHADLO Cc1ccc(C[C@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420848788 1027793097 /nfs/dbraw/zinc/79/30/97/1027793097.db2.gz MSDLCWYXPUFMLT-KRWDZBQOSA-N 1 2 325.456 3.779 20 0 EHADLO CCC(CC)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000131922581 1027843663 /nfs/dbraw/zinc/84/36/63/1027843663.db2.gz XAEJIMASQMBTKN-CQSZACIVSA-N 1 2 345.874 3.931 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000434198990 1027860846 /nfs/dbraw/zinc/86/08/46/1027860846.db2.gz YKOQHWZREWUEHZ-RBUKOAKNSA-N 1 2 338.455 3.640 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922317 1027866973 /nfs/dbraw/zinc/86/69/73/1027866973.db2.gz FHQBCUBCTZDZPK-ZIAGYGMSSA-N 1 2 336.476 3.914 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000420922317 1027866992 /nfs/dbraw/zinc/86/69/92/1027866992.db2.gz FHQBCUBCTZDZPK-ZIAGYGMSSA-N 1 2 336.476 3.914 20 0 EHADLO Cc1ccc2[nH+]c(CSc3nnc(NCC(C)C)s3)cn2c1 ZINC000031033107 1027868257 /nfs/dbraw/zinc/86/82/57/1027868257.db2.gz GPJSWIFRMXBRJW-UHFFFAOYSA-N 1 2 333.486 3.854 20 0 EHADLO Cn1cc(Cl)c(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000420921036 1027869991 /nfs/dbraw/zinc/86/99/91/1027869991.db2.gz KXNRMAMNKODMGO-UHFFFAOYSA-N 1 2 347.768 3.997 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000359928813 1027881393 /nfs/dbraw/zinc/88/13/93/1027881393.db2.gz ZYCATDOPUUKSGW-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000359928813 1027881416 /nfs/dbraw/zinc/88/14/16/1027881416.db2.gz ZYCATDOPUUKSGW-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccs1 ZINC000120104196 1027914691 /nfs/dbraw/zinc/91/46/91/1027914691.db2.gz MAIOQGBVKSYTIC-HNNXBMFYSA-N 1 2 343.496 3.943 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956274 1027922828 /nfs/dbraw/zinc/92/28/28/1027922828.db2.gz YSZJCYYWMGYELL-RDTXWAMCSA-N 1 2 347.842 3.646 20 0 EHADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000420956274 1027922840 /nfs/dbraw/zinc/92/28/40/1027922840.db2.gz YSZJCYYWMGYELL-RDTXWAMCSA-N 1 2 347.842 3.646 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H](CC)O1 ZINC000420954525 1027923153 /nfs/dbraw/zinc/92/31/53/1027923153.db2.gz KCMORZFALALWKS-CWRNSKLLSA-N 1 2 345.443 3.696 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H](CC)O1 ZINC000420954525 1027923171 /nfs/dbraw/zinc/92/31/71/1027923171.db2.gz KCMORZFALALWKS-CWRNSKLLSA-N 1 2 345.443 3.696 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428366548 1027929402 /nfs/dbraw/zinc/92/94/02/1027929402.db2.gz YLVDWKGBIOAGLG-WOJBJXKFSA-N 1 2 341.451 3.999 20 0 EHADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428366548 1027929415 /nfs/dbraw/zinc/92/94/15/1027929415.db2.gz YLVDWKGBIOAGLG-WOJBJXKFSA-N 1 2 341.451 3.999 20 0 EHADLO CC[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000503596645 1027938318 /nfs/dbraw/zinc/93/83/18/1027938318.db2.gz BMDJNBLKYQTZSH-FHWLQOOXSA-N 1 2 347.499 3.734 20 0 EHADLO Oc1cccc(C[NH2+][C@H]2COCc3ccccc32)c1Br ZINC000418097931 1027956998 /nfs/dbraw/zinc/95/69/98/1027956998.db2.gz AHSQVMCTRALHBT-AWEZNQCLSA-N 1 2 334.213 3.516 20 0 EHADLO CCCOc1cccc2c(N3CCC[C@@H](CCC(N)=O)C3)cc[nH+]c12 ZINC000194711486 1027961693 /nfs/dbraw/zinc/96/16/93/1027961693.db2.gz BVDMGKTXWPIABT-HNNXBMFYSA-N 1 2 341.455 3.506 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000418102212 1027966535 /nfs/dbraw/zinc/96/65/35/1027966535.db2.gz TXPRQLMJJGYLNJ-UHFFFAOYSA-N 1 2 348.365 3.979 20 0 EHADLO Cc1cccc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000114184584 1027970016 /nfs/dbraw/zinc/97/00/16/1027970016.db2.gz KMMQHWCSQHZFJE-IAGOWNOFSA-N 1 2 325.456 3.611 20 0 EHADLO Fc1cc(Br)cnc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000628170598 1028000671 /nfs/dbraw/zinc/00/06/71/1028000671.db2.gz FXIASMNJWGGNTO-SNVBAGLBSA-N 1 2 325.181 3.566 20 0 EHADLO Fc1cc(Br)cnc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000628170598 1028000684 /nfs/dbraw/zinc/00/06/84/1028000684.db2.gz FXIASMNJWGGNTO-SNVBAGLBSA-N 1 2 325.181 3.566 20 0 EHADLO Cc1cccc2nc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cn21 ZINC000051379377 1028016988 /nfs/dbraw/zinc/01/69/88/1028016988.db2.gz MRYVHZHIMPIRBY-UHFFFAOYSA-N 1 2 333.435 3.738 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246223842 1028018390 /nfs/dbraw/zinc/01/83/90/1028018390.db2.gz ZXOKQSQCWXKVJA-GDBMZVCRSA-N 1 2 343.427 3.613 20 0 EHADLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246223842 1028018407 /nfs/dbraw/zinc/01/84/07/1028018407.db2.gz ZXOKQSQCWXKVJA-GDBMZVCRSA-N 1 2 343.427 3.613 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628523 1028023379 /nfs/dbraw/zinc/02/33/79/1028023379.db2.gz DPOYCMRERMAKIQ-STQMWFEESA-N 1 2 335.883 3.706 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628523 1028023397 /nfs/dbraw/zinc/02/33/97/1028023397.db2.gz DPOYCMRERMAKIQ-STQMWFEESA-N 1 2 335.883 3.706 20 0 EHADLO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000582857022 1028033715 /nfs/dbraw/zinc/03/37/15/1028033715.db2.gz WRHDIHVGIDMWHU-LBPRGKRZSA-N 1 2 347.311 3.792 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)c(F)c1 ZINC000052265460 1028088682 /nfs/dbraw/zinc/08/86/82/1028088682.db2.gz FFSZMHILBUKFKG-UHFFFAOYSA-N 1 2 346.406 3.632 20 0 EHADLO Cc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)n(Cc2ccccc2)n1 ZINC000421081826 1028088973 /nfs/dbraw/zinc/08/89/73/1028088973.db2.gz NEONBYWRIIUHCD-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455361900 1028096336 /nfs/dbraw/zinc/09/63/36/1028096336.db2.gz SZHIPNKQNPPKRU-AOIWGVFYSA-N 1 2 340.471 3.587 20 0 EHADLO C[C@@H](C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646314 1028108701 /nfs/dbraw/zinc/10/87/01/1028108701.db2.gz SBXJBZWACBPWIM-RDJZCZTQSA-N 1 2 329.465 3.825 20 0 EHADLO C[C@@H](C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000444646314 1028108710 /nfs/dbraw/zinc/10/87/10/1028108710.db2.gz SBXJBZWACBPWIM-RDJZCZTQSA-N 1 2 329.465 3.825 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)C[C@@H](C)C3)cn2c1 ZINC000502387291 1028163726 /nfs/dbraw/zinc/16/37/26/1028163726.db2.gz IQFWBXGBFPTOIO-GDBMZVCRSA-N 1 2 345.512 3.771 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444692751 1028166820 /nfs/dbraw/zinc/16/68/20/1028166820.db2.gz NCCBILZROBEVER-QWRGUYRKSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444692751 1028166827 /nfs/dbraw/zinc/16/68/27/1028166827.db2.gz NCCBILZROBEVER-QWRGUYRKSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697090 1028170072 /nfs/dbraw/zinc/17/00/72/1028170072.db2.gz PYLJNELKSIGOCF-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444697090 1028170075 /nfs/dbraw/zinc/17/00/75/1028170075.db2.gz PYLJNELKSIGOCF-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO CC[N@H+](Cc1nccc(N)n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000135185646 1028175584 /nfs/dbraw/zinc/17/55/84/1028175584.db2.gz ANBNMBKXXIGFLV-HXUWFJFHSA-N 1 2 336.414 3.809 20 0 EHADLO CC[N@@H+](Cc1nccc(N)n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000135185646 1028175594 /nfs/dbraw/zinc/17/55/94/1028175594.db2.gz ANBNMBKXXIGFLV-HXUWFJFHSA-N 1 2 336.414 3.809 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000503901976 1028193933 /nfs/dbraw/zinc/19/39/33/1028193933.db2.gz KTJLFCZAQPPAAQ-WQTVUKCASA-N 1 2 327.346 3.746 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+]1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000503901976 1028193935 /nfs/dbraw/zinc/19/39/35/1028193935.db2.gz KTJLFCZAQPPAAQ-WQTVUKCASA-N 1 2 327.346 3.746 20 0 EHADLO Cc1cccc(O[C@@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455478377 1028212946 /nfs/dbraw/zinc/21/29/46/1028212946.db2.gz FSPZALDNBNJZMS-HNNXBMFYSA-N 1 2 327.428 3.904 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444727076 1028220801 /nfs/dbraw/zinc/22/08/01/1028220801.db2.gz PJOLBMATFCYWDZ-RHSMWYFYSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444727076 1028220819 /nfs/dbraw/zinc/22/08/19/1028220819.db2.gz PJOLBMATFCYWDZ-RHSMWYFYSA-N 1 2 339.863 3.835 20 0 EHADLO CCCN(CCc1ccccn1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455492249 1028225995 /nfs/dbraw/zinc/22/59/95/1028225995.db2.gz ZJQLPKPBVDFFIE-UHFFFAOYSA-N 1 2 326.444 3.888 20 0 EHADLO COc1cccc(O[C@H](C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455485669 1028251207 /nfs/dbraw/zinc/25/12/07/1028251207.db2.gz KCAMCJDCLBALJY-CQSZACIVSA-N 1 2 343.427 3.604 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(Br)s2)s1 ZINC000444770758 1028256909 /nfs/dbraw/zinc/25/69/09/1028256909.db2.gz ZXATXSTYCWACKU-ZETCQYMHSA-N 1 2 348.291 3.612 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000455519946 1028268808 /nfs/dbraw/zinc/26/88/08/1028268808.db2.gz MKVQWHWLPNSBIX-QGZVFWFLSA-N 1 2 343.402 3.751 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455511654 1028288970 /nfs/dbraw/zinc/28/89/70/1028288970.db2.gz HRORQBLRMMDEGC-MRXNPFEDSA-N 1 2 347.846 3.905 20 0 EHADLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4ccccc4C)C3)ccc2[nH+]1 ZINC000523425097 1028293955 /nfs/dbraw/zinc/29/39/55/1028293955.db2.gz CBXKZPYRFBKOIN-MRXNPFEDSA-N 1 2 334.423 3.973 20 0 EHADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nn(C)c(C)c2Cl)cc1OC ZINC000421335088 1028302431 /nfs/dbraw/zinc/30/24/31/1028302431.db2.gz RQFCYNRBNODEAJ-LLVKDONJSA-N 1 2 337.851 3.558 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682080 1028310592 /nfs/dbraw/zinc/31/05/92/1028310592.db2.gz UUOCMVRGADMNHD-HZPDHXFCSA-N 1 2 326.843 3.777 20 0 EHADLO CCC(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682080 1028310604 /nfs/dbraw/zinc/31/06/04/1028310604.db2.gz UUOCMVRGADMNHD-HZPDHXFCSA-N 1 2 326.843 3.777 20 0 EHADLO CCC1(c2ccccc2)CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000459374566 1028338612 /nfs/dbraw/zinc/33/86/12/1028338612.db2.gz ORCRXATXLYVKSF-UHFFFAOYSA-N 1 2 334.423 3.838 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CCCC23CCC3)c1)[NH+]1CCOCC1 ZINC000444903758 1028386123 /nfs/dbraw/zinc/38/61/23/1028386123.db2.gz OPJWAIJEIZZZNR-INIZCTEOSA-N 1 2 343.471 3.630 20 0 EHADLO CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)Oc1cccc(F)c1 ZINC001126739537 1028408059 /nfs/dbraw/zinc/40/80/59/1028408059.db2.gz RENNTOWGEYFRLV-INIZCTEOSA-N 1 2 330.403 3.733 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475618716 1028428204 /nfs/dbraw/zinc/42/82/04/1028428204.db2.gz PCMQOEDGHAMDFK-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000475618716 1028428213 /nfs/dbraw/zinc/42/82/13/1028428213.db2.gz PCMQOEDGHAMDFK-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO FC(F)(F)Cn1ccnc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000069878743 1028447729 /nfs/dbraw/zinc/44/77/29/1028447729.db2.gz JRVSHTPVSJGJDY-UHFFFAOYSA-N 1 2 329.753 3.878 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1C ZINC000193993621 1028481101 /nfs/dbraw/zinc/48/11/01/1028481101.db2.gz PIRDBXIIVILJRN-QGZVFWFLSA-N 1 2 325.456 3.917 20 0 EHADLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1C ZINC000193993621 1028481110 /nfs/dbraw/zinc/48/11/10/1028481110.db2.gz PIRDBXIIVILJRN-QGZVFWFLSA-N 1 2 325.456 3.917 20 0 EHADLO Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)[nH+]c1 ZINC000194193412 1028497910 /nfs/dbraw/zinc/49/79/10/1028497910.db2.gz IFTSQVDJFOWXQO-UHFFFAOYSA-N 1 2 345.830 3.604 20 0 EHADLO CCCCN(C)C(=O)CSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000194560861 1028521260 /nfs/dbraw/zinc/52/12/60/1028521260.db2.gz AHPFLKPKZDRBBA-UHFFFAOYSA-N 1 2 331.485 3.672 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)Cc2ccccc2)s1 ZINC000121990406 1028532998 /nfs/dbraw/zinc/53/29/98/1028532998.db2.gz LOXFJMYZAAATKO-HNNXBMFYSA-N 1 2 345.512 3.665 20 0 EHADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccccc2)s1 ZINC000121990406 1028533005 /nfs/dbraw/zinc/53/30/05/1028533005.db2.gz LOXFJMYZAAATKO-HNNXBMFYSA-N 1 2 345.512 3.665 20 0 EHADLO Cc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(C)[nH+]1 ZINC000421561909 1028536650 /nfs/dbraw/zinc/53/66/50/1028536650.db2.gz UFERIYSBUJOADC-AWEZNQCLSA-N 1 2 332.831 3.744 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000897336603 1028559541 /nfs/dbraw/zinc/55/95/41/1028559541.db2.gz IQHWGXDIAQLRAJ-UHFFFAOYSA-N 1 2 341.789 3.716 20 0 EHADLO c1coc([C@@H](CNCc2coc(-c3ccccc3)n2)[NH+]2CCCC2)c1 ZINC000236668051 1028560185 /nfs/dbraw/zinc/56/01/85/1028560185.db2.gz AVVBONKBHZDTQM-GOSISDBHSA-N 1 2 337.423 3.861 20 0 EHADLO COc1ccccc1C[C@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421577467 1028572224 /nfs/dbraw/zinc/57/22/24/1028572224.db2.gz OZVCKSNHMNDNKX-AWEZNQCLSA-N 1 2 326.440 3.592 20 0 EHADLO CC(C)=CCOc1cccc(CC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421581210 1028578349 /nfs/dbraw/zinc/57/83/49/1028578349.db2.gz PXHVKFBQYWSDHH-UHFFFAOYSA-N 1 2 338.451 3.902 20 0 EHADLO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000423716028 1028583255 /nfs/dbraw/zinc/58/32/55/1028583255.db2.gz VQOSAOYZQUXQBV-MFKMUULPSA-N 1 2 331.243 3.935 20 0 EHADLO O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195175250 1028587959 /nfs/dbraw/zinc/58/79/59/1028587959.db2.gz VGPHMJQYWNBELI-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC001271788625 1028593091 /nfs/dbraw/zinc/59/30/91/1028593091.db2.gz BGVSJRMPCPBEAS-INIZCTEOSA-N 1 2 346.519 3.650 20 0 EHADLO CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC001271788625 1028593105 /nfs/dbraw/zinc/59/31/05/1028593105.db2.gz BGVSJRMPCPBEAS-INIZCTEOSA-N 1 2 346.519 3.650 20 0 EHADLO C[C@@H](CC1CCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000074513393 1028618423 /nfs/dbraw/zinc/61/84/23/1028618423.db2.gz SBYPTQSXRPQMPR-AWEZNQCLSA-N 1 2 329.419 3.844 20 0 EHADLO Brc1cncc(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000195326581 1028627826 /nfs/dbraw/zinc/62/78/26/1028627826.db2.gz AGUULCZHNMNLME-UHFFFAOYSA-N 1 2 339.277 3.768 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000247041828 1028731923 /nfs/dbraw/zinc/73/19/23/1028731923.db2.gz GQPDYBHZHXQGED-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000504572719 1028748146 /nfs/dbraw/zinc/74/81/46/1028748146.db2.gz LKRALSKAELGMCU-IUODEOHRSA-N 1 2 349.356 3.811 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1scnc1C ZINC000343038088 1028748277 /nfs/dbraw/zinc/74/82/77/1028748277.db2.gz JDYVNQZQHVTUTC-UHFFFAOYSA-N 1 2 341.436 3.813 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000079506913 1028787322 /nfs/dbraw/zinc/78/73/22/1028787322.db2.gz HFPQUSZVTXBRQZ-UHFFFAOYSA-N 1 2 339.464 3.881 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532760711 1028806617 /nfs/dbraw/zinc/80/66/17/1028806617.db2.gz FUHIATAOHFCYOK-CYBMUJFWSA-N 1 2 330.428 3.936 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532760711 1028806631 /nfs/dbraw/zinc/80/66/31/1028806631.db2.gz FUHIATAOHFCYOK-CYBMUJFWSA-N 1 2 330.428 3.936 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245547995 1028812484 /nfs/dbraw/zinc/81/24/84/1028812484.db2.gz XGUCRNZTYPDOFF-HUUCEWRRSA-N 1 2 345.874 3.947 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245547995 1028812502 /nfs/dbraw/zinc/81/25/02/1028812502.db2.gz XGUCRNZTYPDOFF-HUUCEWRRSA-N 1 2 345.874 3.947 20 0 EHADLO c1cc(CSc2nnc(C3CC3)s2)cc(C[NH+]2CCOCC2)c1 ZINC000421831362 1028819700 /nfs/dbraw/zinc/81/97/00/1028819700.db2.gz DWFHYZMMWNBMJJ-UHFFFAOYSA-N 1 2 347.509 3.540 20 0 EHADLO Fc1ccccc1C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000524053162 1028827600 /nfs/dbraw/zinc/82/76/00/1028827600.db2.gz PPFGIIPGKJKWLB-UHFFFAOYSA-N 1 2 340.446 3.990 20 0 EHADLO Fc1ccccc1C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000524053162 1028827612 /nfs/dbraw/zinc/82/76/12/1028827612.db2.gz PPFGIIPGKJKWLB-UHFFFAOYSA-N 1 2 340.446 3.990 20 0 EHADLO O=[S@](Cc1c[nH+]cn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000445484139 1028846375 /nfs/dbraw/zinc/84/63/75/1028846375.db2.gz WHLNGTDFUFRXEI-JOCHJYFZSA-N 1 2 330.840 3.893 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)n1 ZINC000248176005 1028855137 /nfs/dbraw/zinc/85/51/37/1028855137.db2.gz VOICYSJNCMNSIO-HSMVNMDESA-N 1 2 327.494 3.519 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)n1 ZINC000248176005 1028855146 /nfs/dbraw/zinc/85/51/46/1028855146.db2.gz VOICYSJNCMNSIO-HSMVNMDESA-N 1 2 327.494 3.519 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000583113151 1028861133 /nfs/dbraw/zinc/86/11/33/1028861133.db2.gz YTFGRUOOZHKPIA-SNVBAGLBSA-N 1 2 336.304 3.621 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000583113151 1028861146 /nfs/dbraw/zinc/86/11/46/1028861146.db2.gz YTFGRUOOZHKPIA-SNVBAGLBSA-N 1 2 336.304 3.621 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)[nH+]c12 ZINC000524103310 1028865969 /nfs/dbraw/zinc/86/59/69/1028865969.db2.gz URWDAYVSRTYZRM-AZUAARDMSA-N 1 2 347.462 3.713 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000424165869 1028866365 /nfs/dbraw/zinc/86/63/65/1028866365.db2.gz FNBRKHLBQAEXSH-UHFFFAOYSA-N 1 2 338.377 3.954 20 0 EHADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123309831 1028876051 /nfs/dbraw/zinc/87/60/51/1028876051.db2.gz YXZIOXPUBLUSON-HZPDHXFCSA-N 1 2 342.443 3.662 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000429592972 1028878106 /nfs/dbraw/zinc/87/81/06/1028878106.db2.gz REKHNAAQYVKQPQ-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000429592972 1028878130 /nfs/dbraw/zinc/87/81/30/1028878130.db2.gz REKHNAAQYVKQPQ-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](CC(F)F)c2ccccc2)s1 ZINC000421882351 1028885161 /nfs/dbraw/zinc/88/51/61/1028885161.db2.gz RYZKRJVONWOPFP-JQWIXIFHSA-N 1 2 340.395 3.977 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c(C)[nH+]1 ZINC000583129966 1028926377 /nfs/dbraw/zinc/92/63/77/1028926377.db2.gz WZSXLLDHYIEOME-ZDUSSCGKSA-N 1 2 334.423 3.767 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000248632640 1028930650 /nfs/dbraw/zinc/93/06/50/1028930650.db2.gz RUWJCSDJISGWNR-IIBYNOLFSA-N 1 2 348.446 3.786 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1 ZINC000248632640 1028930657 /nfs/dbraw/zinc/93/06/57/1028930657.db2.gz RUWJCSDJISGWNR-IIBYNOLFSA-N 1 2 348.446 3.786 20 0 EHADLO CCc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1O ZINC000343069077 1028941786 /nfs/dbraw/zinc/94/17/86/1028941786.db2.gz BENXUWGQFPUZHE-CQSZACIVSA-N 1 2 344.480 3.535 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248803855 1028949789 /nfs/dbraw/zinc/94/97/89/1028949789.db2.gz AUBOOFUVZDAWHL-LJQANCHMSA-N 1 2 343.446 3.639 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000248803855 1028949805 /nfs/dbraw/zinc/94/98/05/1028949805.db2.gz AUBOOFUVZDAWHL-LJQANCHMSA-N 1 2 343.446 3.639 20 0 EHADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000248805346 1028950911 /nfs/dbraw/zinc/95/09/11/1028950911.db2.gz BFUACHLSNPDYES-GOSISDBHSA-N 1 2 345.874 3.765 20 0 EHADLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000248805346 1028950921 /nfs/dbraw/zinc/95/09/21/1028950921.db2.gz BFUACHLSNPDYES-GOSISDBHSA-N 1 2 345.874 3.765 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000249837654 1029026056 /nfs/dbraw/zinc/02/60/56/1029026056.db2.gz TYZZJCRWGIAZIW-WBVHZDCISA-N 1 2 344.455 3.939 20 0 EHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000249837654 1029026067 /nfs/dbraw/zinc/02/60/67/1029026067.db2.gz TYZZJCRWGIAZIW-WBVHZDCISA-N 1 2 344.455 3.939 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000076721860 1029040578 /nfs/dbraw/zinc/04/05/78/1029040578.db2.gz RSLCJPSRVPWAFP-CXAGYDPISA-N 1 2 327.428 3.819 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000076721860 1029040597 /nfs/dbraw/zinc/04/05/97/1029040597.db2.gz RSLCJPSRVPWAFP-CXAGYDPISA-N 1 2 327.428 3.819 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC4(C3)CCCCC4)cn2c1 ZINC000503171768 1029106919 /nfs/dbraw/zinc/10/69/19/1029106919.db2.gz AXEBYOQMRDAXET-UHFFFAOYSA-N 1 2 343.496 3.669 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000284506833 1029131722 /nfs/dbraw/zinc/13/17/22/1029131722.db2.gz YCQJAPKUFRLEPL-OAHLLOKOSA-N 1 2 339.414 3.930 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)c(Br)c1 ZINC000532974218 1029151169 /nfs/dbraw/zinc/15/11/69/1029151169.db2.gz XRNOUTIDULNRLI-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(Br)c1 ZINC000532974218 1029151174 /nfs/dbraw/zinc/15/11/74/1029151174.db2.gz XRNOUTIDULNRLI-CHWSQXEVSA-N 1 2 339.277 3.816 20 0 EHADLO CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077789769 1029159955 /nfs/dbraw/zinc/15/99/55/1029159955.db2.gz IXTSMQYMKCBZOQ-OALUTQOASA-N 1 2 340.471 3.699 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000524410592 1029163161 /nfs/dbraw/zinc/16/31/61/1029163161.db2.gz GDZBWIUVNWVPNP-ZWKOTPCHSA-N 1 2 344.499 3.556 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000505062558 1029167765 /nfs/dbraw/zinc/16/77/65/1029167765.db2.gz LOOLWOIHVJJIAW-IEBWSBKVSA-N 1 2 325.456 3.876 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271847847 1029197889 /nfs/dbraw/zinc/19/78/89/1029197889.db2.gz ZLOADZDLWPOVQT-LBPRGKRZSA-N 1 2 334.366 3.653 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(CC(C)C)C(C)C)cn2c1 ZINC000524454360 1029202566 /nfs/dbraw/zinc/20/25/66/1029202566.db2.gz QGGPNDYRNLTWOZ-UHFFFAOYSA-N 1 2 333.501 3.769 20 0 EHADLO C[C@H](CC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)n1cc[nH+]c1 ZINC000583207924 1029246349 /nfs/dbraw/zinc/24/63/49/1029246349.db2.gz PENKZNFMNYXQHB-ZIAGYGMSSA-N 1 2 349.837 3.860 20 0 EHADLO Cc1cc2cccnc2c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092145337 1029250362 /nfs/dbraw/zinc/25/03/62/1029250362.db2.gz LISGEWCYZMOULY-HNNXBMFYSA-N 1 2 335.411 3.678 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475637405 1029278425 /nfs/dbraw/zinc/27/84/25/1029278425.db2.gz KXWQJDIACAMHCH-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@@]2(CCOC2)O1 ZINC000475637405 1029278432 /nfs/dbraw/zinc/27/84/32/1029278432.db2.gz KXWQJDIACAMHCH-MRXNPFEDSA-N 1 2 330.255 3.763 20 0 EHADLO CC(C)c1ccc([C@@H](C)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000272039590 1029282726 /nfs/dbraw/zinc/28/27/26/1029282726.db2.gz PZIHYFMAGLNGJL-QGZVFWFLSA-N 1 2 342.487 3.512 20 0 EHADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)cc1F ZINC000161769148 1029284762 /nfs/dbraw/zinc/28/47/62/1029284762.db2.gz ZDPZZHOSUAJVPA-UHFFFAOYSA-N 1 2 347.821 3.713 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000664279627 1029335094 /nfs/dbraw/zinc/33/50/94/1029335094.db2.gz WIMSZXQOOBUPMC-DZKIICNBSA-N 1 2 348.516 3.781 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000664279627 1029335111 /nfs/dbraw/zinc/33/51/11/1029335111.db2.gz WIMSZXQOOBUPMC-DZKIICNBSA-N 1 2 348.516 3.781 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1sccc1Cl ZINC000505236190 1029388014 /nfs/dbraw/zinc/38/80/14/1029388014.db2.gz VOFOSZKMWHRMPO-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125007380 1029394181 /nfs/dbraw/zinc/39/41/81/1029394181.db2.gz KHWFSVVDSMEGNG-XHDPSFHLSA-N 1 2 338.238 3.913 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)cc2OCC2CC2)c[nH+]1 ZINC000454855084 1029400422 /nfs/dbraw/zinc/40/04/22/1029400422.db2.gz MYADOEIHCIAWJU-UHFFFAOYSA-N 1 2 343.402 3.948 20 0 EHADLO C[C@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000393330726 1029404199 /nfs/dbraw/zinc/40/41/99/1029404199.db2.gz INQQTCHONJJPOD-NHYWBVRUSA-N 1 2 334.261 3.911 20 0 EHADLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2c(F)cccc2F)c1 ZINC000524648000 1029405283 /nfs/dbraw/zinc/40/52/83/1029405283.db2.gz QPUWUFWNFAFHRT-CABCVRRESA-N 1 2 335.394 3.706 20 0 EHADLO Cc1cccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2c(F)cccc2F)c1 ZINC000524648000 1029405286 /nfs/dbraw/zinc/40/52/86/1029405286.db2.gz QPUWUFWNFAFHRT-CABCVRRESA-N 1 2 335.394 3.706 20 0 EHADLO COc1c(O)cccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000272315317 1029412393 /nfs/dbraw/zinc/41/23/93/1029412393.db2.gz SMCQNDYBSYQVDE-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO COc1c(O)cccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000272315317 1029412403 /nfs/dbraw/zinc/41/24/03/1029412403.db2.gz SMCQNDYBSYQVDE-UHFFFAOYSA-N 1 2 342.258 3.857 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3c(cccc3C(C)C)C2)c[nH+]1 ZINC000897536117 1029422833 /nfs/dbraw/zinc/42/28/33/1029422833.db2.gz REEPALRPCNONKV-UHFFFAOYSA-N 1 2 325.456 3.635 20 0 EHADLO CN(C)c1ccc(Nc2ncnc3ccc(Br)cc32)c[nH+]1 ZINC000261410932 1029442463 /nfs/dbraw/zinc/44/24/63/1029442463.db2.gz JUDFNGYWPDWMIQ-UHFFFAOYSA-N 1 2 344.216 3.597 20 0 EHADLO COC(=O)[C@@H](C)Oc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000414827021 1029444145 /nfs/dbraw/zinc/44/41/45/1029444145.db2.gz ARPSDTSJKREGOF-CQSZACIVSA-N 1 2 340.423 3.597 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2OCC(F)F)c[nH+]1 ZINC000454949973 1029489722 /nfs/dbraw/zinc/48/97/22/1029489722.db2.gz FJKFIBPNHBTOPW-UHFFFAOYSA-N 1 2 335.354 3.664 20 0 EHADLO CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCc2ccccc21 ZINC000272515277 1029493496 /nfs/dbraw/zinc/49/34/96/1029493496.db2.gz YUQKBLOXHLPUJF-FQEVSTJZSA-N 1 2 346.434 3.807 20 0 EHADLO CCCCCN(CCCOC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000272546984 1029507910 /nfs/dbraw/zinc/50/79/10/1029507910.db2.gz GISSMYSDRJILLQ-UHFFFAOYSA-N 1 2 343.471 3.600 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000533249251 1029526728 /nfs/dbraw/zinc/52/67/28/1029526728.db2.gz CYKUOWVKCXFKRS-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000533249251 1029526733 /nfs/dbraw/zinc/52/67/33/1029526733.db2.gz CYKUOWVKCXFKRS-UHFFFAOYSA-N 1 2 342.414 3.877 20 0 EHADLO COC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(Cl)c1 ZINC000454999622 1029540305 /nfs/dbraw/zinc/54/03/05/1029540305.db2.gz QQNYCCVKXYNDTQ-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000272627869 1029540384 /nfs/dbraw/zinc/54/03/84/1029540384.db2.gz KAHBTNVLRFKMOZ-HNNXBMFYSA-N 1 2 333.457 3.549 20 0 EHADLO CSc1ccc(C)c(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000272627869 1029540397 /nfs/dbraw/zinc/54/03/97/1029540397.db2.gz KAHBTNVLRFKMOZ-HNNXBMFYSA-N 1 2 333.457 3.549 20 0 EHADLO CC(C)CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000155472636 1029549401 /nfs/dbraw/zinc/54/94/01/1029549401.db2.gz OLBBQIHRNHGGTA-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]1C1CC1 ZINC000455021919 1029560296 /nfs/dbraw/zinc/56/02/96/1029560296.db2.gz KTHOKEMWDADXJS-GOSISDBHSA-N 1 2 334.423 3.618 20 0 EHADLO CCc1ccc([C@H](C)CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000155810285 1029664789 /nfs/dbraw/zinc/66/47/89/1029664789.db2.gz ONKFHCXNRCRHHX-MRXNPFEDSA-N 1 2 339.483 3.634 20 0 EHADLO Fc1ccc(-n2cc(CNc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC000155943497 1029707485 /nfs/dbraw/zinc/70/74/85/1029707485.db2.gz YSPNZPBZXITFJJ-UHFFFAOYSA-N 1 2 333.370 3.809 20 0 EHADLO O=C(c1ccc(Cl)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033391136 1029709432 /nfs/dbraw/zinc/70/94/32/1029709432.db2.gz NKOTUQPBTKXMQO-DAXSKMNVSA-N 1 2 340.854 3.811 20 0 EHADLO CC(C)[N@H+](Cc1nnc(C2CC2)[nH]1)Cc1ccc(Br)cc1 ZINC000347388485 1029721331 /nfs/dbraw/zinc/72/13/31/1029721331.db2.gz CSWQUQORIJHWQP-UHFFFAOYSA-N 1 2 349.276 3.855 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(C2CC2)[nH]1)Cc1ccc(Br)cc1 ZINC000347388485 1029721335 /nfs/dbraw/zinc/72/13/35/1029721335.db2.gz CSWQUQORIJHWQP-UHFFFAOYSA-N 1 2 349.276 3.855 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000525171095 1029728930 /nfs/dbraw/zinc/72/89/30/1029728930.db2.gz XLHRXIHTGCAIMG-OAHLLOKOSA-N 1 2 339.361 3.638 20 0 EHADLO CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000583397133 1029761731 /nfs/dbraw/zinc/76/17/31/1029761731.db2.gz ILXHZJKLZPOBGQ-FXAWDEMLSA-N 1 2 339.483 3.876 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000508704965 1029770014 /nfs/dbraw/zinc/77/00/14/1029770014.db2.gz YSGTYOAXZPJHBC-MPLMCADHSA-N 1 2 341.499 3.724 20 0 EHADLO CC(C)(C)Oc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211579721 1029785398 /nfs/dbraw/zinc/78/53/98/1029785398.db2.gz HVQVKWZHCKTVLP-CYBMUJFWSA-N 1 2 337.370 3.626 20 0 EHADLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000536015867 1029790385 /nfs/dbraw/zinc/79/03/85/1029790385.db2.gz UZNSCLRZMZRNEP-UHFFFAOYSA-N 1 2 333.432 3.545 20 0 EHADLO CC(C)C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccs1 ZINC000533772500 1029804816 /nfs/dbraw/zinc/80/48/16/1029804816.db2.gz TZWOLLQVBDAIKM-GJZGRUSLSA-N 1 2 346.500 3.768 20 0 EHADLO CSC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1 ZINC000193259910 1029812809 /nfs/dbraw/zinc/81/28/09/1029812809.db2.gz NLXSAQRHUBELCK-UHFFFAOYSA-N 1 2 325.441 3.513 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343232761 1029841528 /nfs/dbraw/zinc/84/15/28/1029841528.db2.gz GHRFQDRDPHQPDX-IBGZPJMESA-N 1 2 348.450 3.578 20 0 EHADLO CCn1c2ccc(C)cc2nc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000343232761 1029841531 /nfs/dbraw/zinc/84/15/31/1029841531.db2.gz GHRFQDRDPHQPDX-IBGZPJMESA-N 1 2 348.450 3.578 20 0 EHADLO C[C@H](c1ccccn1)N(C)c1cc(N(C)[C@H](C)c2ccccn2)[nH+]cn1 ZINC000274559264 1029843568 /nfs/dbraw/zinc/84/35/68/1029843568.db2.gz AHSQPLCAGUHVMV-HZPDHXFCSA-N 1 2 348.454 3.661 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)C3(C)CCCC3)cn2c1 ZINC000428662504 1029868453 /nfs/dbraw/zinc/86/84/53/1029868453.db2.gz DYMYPPVTJIKZMR-UHFFFAOYSA-N 1 2 331.485 3.667 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000536041866 1029876606 /nfs/dbraw/zinc/87/66/06/1029876606.db2.gz NSIGCRGNOFEFRQ-INIZCTEOSA-N 1 2 328.843 3.904 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000536041866 1029876610 /nfs/dbraw/zinc/87/66/10/1029876610.db2.gz NSIGCRGNOFEFRQ-INIZCTEOSA-N 1 2 328.843 3.904 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1Cc2ccccc2S1 ZINC000080442330 1029885731 /nfs/dbraw/zinc/88/57/31/1029885731.db2.gz MMOOIJPLYRATII-KRWDZBQOSA-N 1 2 339.395 3.667 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453189706 1029890063 /nfs/dbraw/zinc/89/00/63/1029890063.db2.gz BMTJVBGVKZYKGC-NEPJUHHUSA-N 1 2 327.457 3.659 20 0 EHADLO Clc1ccc2cc3n(c2c1)CCN(Cc1cccc2[nH+]ccn21)C3 ZINC000447076472 1029923626 /nfs/dbraw/zinc/92/36/26/1029923626.db2.gz NSNUIBDKSGVKJH-UHFFFAOYSA-N 1 2 336.826 3.958 20 0 EHADLO Cc1csc(NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000481816534 1029991144 /nfs/dbraw/zinc/99/11/44/1029991144.db2.gz OYLUSBOCIJTUES-UHFFFAOYSA-N 1 2 349.887 3.923 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)CC(C)C ZINC000163173720 1030088969 /nfs/dbraw/zinc/08/89/69/1030088969.db2.gz HNFRYBNRXPXONT-KRWDZBQOSA-N 1 2 346.519 3.764 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)[nH]1 ZINC000583551309 1030099667 /nfs/dbraw/zinc/09/96/67/1030099667.db2.gz XDSSGYNGQKFIFW-NSHDSACASA-N 1 2 327.457 3.663 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1c(F)cncc1Br)c1nccs1 ZINC000667974575 1030101840 /nfs/dbraw/zinc/10/18/40/1030101840.db2.gz XNXZCEPXAZKKLO-VIFPVBQESA-N 1 2 344.253 3.675 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1c(F)cncc1Br)c1nccs1 ZINC000667974575 1030101850 /nfs/dbraw/zinc/10/18/50/1030101850.db2.gz XNXZCEPXAZKKLO-VIFPVBQESA-N 1 2 344.253 3.675 20 0 EHADLO CCCc1cccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000481920790 1030121725 /nfs/dbraw/zinc/12/17/25/1030121725.db2.gz VLAFJFWOQWEPJC-UHFFFAOYSA-N 1 2 328.481 3.659 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120976032 1030142176 /nfs/dbraw/zinc/14/21/76/1030142176.db2.gz JCCGRXKNORDDKN-CYBMUJFWSA-N 1 2 325.522 3.873 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120976032 1030142188 /nfs/dbraw/zinc/14/21/88/1030142188.db2.gz JCCGRXKNORDDKN-CYBMUJFWSA-N 1 2 325.522 3.873 20 0 EHADLO CN(CCC[N@@H+]1CCSC[C@H]1c1nccs1)c1ccccc1 ZINC000645860516 1030146754 /nfs/dbraw/zinc/14/67/54/1030146754.db2.gz SSFYNHXYFHKYGB-INIZCTEOSA-N 1 2 333.526 3.760 20 0 EHADLO CN(CCC[N@H+]1CCSC[C@H]1c1nccs1)c1ccccc1 ZINC000645860516 1030146761 /nfs/dbraw/zinc/14/67/61/1030146761.db2.gz SSFYNHXYFHKYGB-INIZCTEOSA-N 1 2 333.526 3.760 20 0 EHADLO Cc1cnc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)s1 ZINC000447381573 1030149715 /nfs/dbraw/zinc/14/97/15/1030149715.db2.gz GURWTBYSIVYMIY-CQSZACIVSA-N 1 2 338.480 3.710 20 0 EHADLO Cc1cnc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)s1 ZINC000447381573 1030149722 /nfs/dbraw/zinc/14/97/22/1030149722.db2.gz GURWTBYSIVYMIY-CQSZACIVSA-N 1 2 338.480 3.710 20 0 EHADLO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000531965574 1030153073 /nfs/dbraw/zinc/15/30/73/1030153073.db2.gz MKWFPGBGFQGXLC-GFCCVEGCSA-N 1 2 327.350 3.613 20 0 EHADLO CSc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000531968910 1030158716 /nfs/dbraw/zinc/15/87/16/1030158716.db2.gz CVLNHKMGFYLBRU-SECBINFHSA-N 1 2 326.263 3.745 20 0 EHADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)cn1 ZINC000453385218 1030165262 /nfs/dbraw/zinc/16/52/62/1030165262.db2.gz UFQXNUYYUPMUDS-VHSXEESVSA-N 1 2 341.228 3.611 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncccc1OC)c1cccc(C(F)(F)F)c1 ZINC000453374670 1030193437 /nfs/dbraw/zinc/19/34/37/1030193437.db2.gz SOPPGOCWCXZZSR-OAHLLOKOSA-N 1 2 340.345 3.586 20 0 EHADLO CC1(C)COc2c1cccc2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000447443079 1030196880 /nfs/dbraw/zinc/19/68/80/1030196880.db2.gz TZUGSENVDSSGSE-UHFFFAOYSA-N 1 2 333.391 3.795 20 0 EHADLO c1cn(CCCN(Cc2ccc3c(c2)OCO3)c2ccccc2)c[nH+]1 ZINC000343307772 1030201316 /nfs/dbraw/zinc/20/13/16/1030201316.db2.gz YRDOFIAZXPMEHC-UHFFFAOYSA-N 1 2 335.407 3.709 20 0 EHADLO Cc1cn2cc(NC(=O)c3oc(COC(C)(C)C)nc3C)ccc2[nH+]1 ZINC000565052208 1030229668 /nfs/dbraw/zinc/22/96/68/1030229668.db2.gz QSUAGSXKJWBGIG-UHFFFAOYSA-N 1 2 342.399 3.507 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161478 1030231747 /nfs/dbraw/zinc/23/17/47/1030231747.db2.gz ZDEVNPIJFLRISG-IRXDYDNUSA-N 1 2 349.837 3.681 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161478 1030231757 /nfs/dbraw/zinc/23/17/57/1030231757.db2.gz ZDEVNPIJFLRISG-IRXDYDNUSA-N 1 2 349.837 3.681 20 0 EHADLO Cc1cccc(OCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000091211895 1030243467 /nfs/dbraw/zinc/24/34/67/1030243467.db2.gz CLDYKHAQGDAWDV-UHFFFAOYSA-N 1 2 349.434 3.574 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)c1C ZINC000121457934 1030271859 /nfs/dbraw/zinc/27/18/59/1030271859.db2.gz IXQVKLKWMBAADR-MRXNPFEDSA-N 1 2 343.496 3.514 20 0 EHADLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000159575668 1030275263 /nfs/dbraw/zinc/27/52/63/1030275263.db2.gz YAZYLJHYWGVNRE-QRQCRPRQSA-N 1 2 336.526 3.650 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cnc3ccccc3c1)C2 ZINC000525995526 1030289188 /nfs/dbraw/zinc/28/91/88/1030289188.db2.gz NGBRCZGMIZMFQV-MRXNPFEDSA-N 1 2 348.450 3.503 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cnc3ccccc3c1)CC2 ZINC000525995526 1030289204 /nfs/dbraw/zinc/28/92/04/1030289204.db2.gz NGBRCZGMIZMFQV-MRXNPFEDSA-N 1 2 348.450 3.503 20 0 EHADLO Cc1c[nH+]c(CCSc2nnnn2-c2cccc(C)c2C)c(C)c1 ZINC000583629998 1030298255 /nfs/dbraw/zinc/29/82/55/1030298255.db2.gz AXFSCCVIIRELRQ-UHFFFAOYSA-N 1 2 339.468 3.626 20 0 EHADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000091931475 1030336175 /nfs/dbraw/zinc/33/61/75/1030336175.db2.gz IFXNCBOIHTUKGC-UHFFFAOYSA-N 1 2 332.810 3.635 20 0 EHADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000091931475 1030336190 /nfs/dbraw/zinc/33/61/90/1030336190.db2.gz IFXNCBOIHTUKGC-UHFFFAOYSA-N 1 2 332.810 3.635 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3scnc3c1)C2 ZINC000526001250 1030340316 /nfs/dbraw/zinc/34/03/16/1030340316.db2.gz HPWJODLECHZENH-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3scnc3c1)CC2 ZINC000526001250 1030340332 /nfs/dbraw/zinc/34/03/32/1030340332.db2.gz HPWJODLECHZENH-NSHDSACASA-N 1 2 340.452 3.886 20 0 EHADLO COCc1nc(C[NH2+]Cc2sc(C)cc2Br)cs1 ZINC000453596245 1030354777 /nfs/dbraw/zinc/35/47/77/1030354777.db2.gz NELLJQVWNXDWSB-UHFFFAOYSA-N 1 2 347.303 3.712 20 0 EHADLO CC1(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000429725213 1030383959 /nfs/dbraw/zinc/38/39/59/1030383959.db2.gz YGFYABZYHRCWGC-HNNXBMFYSA-N 1 2 338.854 3.922 20 0 EHADLO Fc1ccccc1N1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000583660598 1030385444 /nfs/dbraw/zinc/38/54/44/1030385444.db2.gz FKMYDMAYYRFWKQ-UHFFFAOYSA-N 1 2 338.348 3.955 20 0 EHADLO Fc1ccccc1N1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000583660598 1030385462 /nfs/dbraw/zinc/38/54/62/1030385462.db2.gz FKMYDMAYYRFWKQ-UHFFFAOYSA-N 1 2 338.348 3.955 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC000092097039 1030386229 /nfs/dbraw/zinc/38/62/29/1030386229.db2.gz NCWDTMKYYZYCQN-KCPJHIHWSA-N 1 2 347.427 3.504 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC000092097039 1030386247 /nfs/dbraw/zinc/38/62/47/1030386247.db2.gz NCWDTMKYYZYCQN-KCPJHIHWSA-N 1 2 347.427 3.504 20 0 EHADLO CCc1cccc2cc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCC3=O)oc21 ZINC000668033093 1030389748 /nfs/dbraw/zinc/38/97/48/1030389748.db2.gz SRKQHDJKJRESJM-MSOLQXFVSA-N 1 2 327.424 3.565 20 0 EHADLO CCc1cccc2cc(C[N@H+]3CCOC[C@H]3[C@H]3CCCC3=O)oc21 ZINC000668033093 1030389762 /nfs/dbraw/zinc/38/97/62/1030389762.db2.gz SRKQHDJKJRESJM-MSOLQXFVSA-N 1 2 327.424 3.565 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000532154855 1030442610 /nfs/dbraw/zinc/44/26/10/1030442610.db2.gz OTQZMFALTOHUGZ-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000532154855 1030442622 /nfs/dbraw/zinc/44/26/22/1030442622.db2.gz OTQZMFALTOHUGZ-LBPRGKRZSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)[C@H]1C ZINC000532160538 1030454131 /nfs/dbraw/zinc/45/41/31/1030454131.db2.gz OCWLGCRWISTNPJ-HEHGZKQESA-N 1 2 340.558 3.777 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)[C@H]1C ZINC000532160538 1030454136 /nfs/dbraw/zinc/45/41/36/1030454136.db2.gz OCWLGCRWISTNPJ-HEHGZKQESA-N 1 2 340.558 3.777 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1Cl ZINC000447736211 1030459119 /nfs/dbraw/zinc/45/91/19/1030459119.db2.gz KMARJUZSFLZVLD-UHFFFAOYSA-N 1 2 328.803 3.725 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1Cl ZINC000447736211 1030459126 /nfs/dbraw/zinc/45/91/26/1030459126.db2.gz KMARJUZSFLZVLD-UHFFFAOYSA-N 1 2 328.803 3.725 20 0 EHADLO COC(=O)c1ccc(C[N@H+](C)Cc2cnc(C(F)(F)F)s2)cc1 ZINC000447740856 1030462390 /nfs/dbraw/zinc/46/23/90/1030462390.db2.gz IXXYBLSPXUALPM-UHFFFAOYSA-N 1 2 344.358 3.581 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cnc(C(F)(F)F)s2)cc1 ZINC000447740856 1030462397 /nfs/dbraw/zinc/46/23/97/1030462397.db2.gz IXXYBLSPXUALPM-UHFFFAOYSA-N 1 2 344.358 3.581 20 0 EHADLO COCC[N@H+](Cc1ccco1)Cc1cccc(OC)c1OC(C)C ZINC000092562448 1030477784 /nfs/dbraw/zinc/47/77/84/1030477784.db2.gz NWFSTNMMORPHOO-UHFFFAOYSA-N 1 2 333.428 3.724 20 0 EHADLO COCC[N@@H+](Cc1ccco1)Cc1cccc(OC)c1OC(C)C ZINC000092562448 1030477796 /nfs/dbraw/zinc/47/77/96/1030477796.db2.gz NWFSTNMMORPHOO-UHFFFAOYSA-N 1 2 333.428 3.724 20 0 EHADLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccoc1 ZINC000532232430 1030499633 /nfs/dbraw/zinc/49/96/33/1030499633.db2.gz PIHZFVLGBKLNPB-CYBMUJFWSA-N 1 2 341.436 3.517 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c(OCCC(C)C)c1 ZINC000925254085 1030507858 /nfs/dbraw/zinc/50/78/58/1030507858.db2.gz MEZZGJRTTHPFOV-NVXWUHKLSA-N 1 2 328.460 3.807 20 0 EHADLO CC[N@@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1COc2ccccc2O1 ZINC000171048095 1030534670 /nfs/dbraw/zinc/53/46/70/1030534670.db2.gz AZKJGUSBUXOVRN-OAHLLOKOSA-N 1 2 340.379 3.597 20 0 EHADLO CC[N@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1COc2ccccc2O1 ZINC000171048095 1030534694 /nfs/dbraw/zinc/53/46/94/1030534694.db2.gz AZKJGUSBUXOVRN-OAHLLOKOSA-N 1 2 340.379 3.597 20 0 EHADLO C[C@@H]1CCN(C(=O)CCc2cc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000532345593 1030572667 /nfs/dbraw/zinc/57/26/67/1030572667.db2.gz GWEGGXPCANROKM-CRAIPNDOSA-N 1 2 337.423 3.672 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000532348163 1030573923 /nfs/dbraw/zinc/57/39/23/1030573923.db2.gz LCQQWYYEAUTTHF-XNJGSVPQSA-N 1 2 348.397 3.515 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2nccn2C)c2ccccc2)c(C)[nH+]1 ZINC000583736074 1030580661 /nfs/dbraw/zinc/58/06/61/1030580661.db2.gz IVDFTFHPMDIPHG-GOSISDBHSA-N 1 2 349.438 3.651 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(Cl)c1 ZINC000343378116 1030587914 /nfs/dbraw/zinc/58/79/14/1030587914.db2.gz VBRBALINCZJAJR-CYBMUJFWSA-N 1 2 340.814 3.722 20 0 EHADLO CCc1ccc(/C=C/c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)o1 ZINC000583732118 1030588678 /nfs/dbraw/zinc/58/86/78/1030588678.db2.gz NZWUHSAPYKXGCP-CMDGGOBGSA-N 1 2 334.379 3.942 20 0 EHADLO c1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)n(-c2ccccc2)n1 ZINC000447941353 1030595578 /nfs/dbraw/zinc/59/55/78/1030595578.db2.gz QYJZGPJXDNTUIU-UHFFFAOYSA-N 1 2 330.391 3.817 20 0 EHADLO C[C@H](c1cccnc1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000093413446 1030608477 /nfs/dbraw/zinc/60/84/77/1030608477.db2.gz MOTWAOUBAWFOCJ-REMYHPOOSA-N 1 2 325.431 3.613 20 0 EHADLO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCO2)c1 ZINC000093457639 1030615262 /nfs/dbraw/zinc/61/52/62/1030615262.db2.gz MLZSYLYMKKHCPY-SFHVURJKSA-N 1 2 349.377 3.610 20 0 EHADLO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCO2)c1 ZINC000093457639 1030615273 /nfs/dbraw/zinc/61/52/73/1030615273.db2.gz MLZSYLYMKKHCPY-SFHVURJKSA-N 1 2 349.377 3.610 20 0 EHADLO Cc1oncc1C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000527074602 1030626656 /nfs/dbraw/zinc/62/66/56/1030626656.db2.gz ZHHYBRUFOJZYQG-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1oncc1C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000527074602 1030626666 /nfs/dbraw/zinc/62/66/66/1030626666.db2.gz ZHHYBRUFOJZYQG-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)[C@H](CC)CN1C(C)=O ZINC000527075015 1030626705 /nfs/dbraw/zinc/62/67/05/1030626705.db2.gz UEUCHYXDBZSWTP-HZPDHXFCSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)[C@H](CC)CN1C(C)=O ZINC000527075015 1030626714 /nfs/dbraw/zinc/62/67/14/1030626714.db2.gz UEUCHYXDBZSWTP-HZPDHXFCSA-N 1 2 326.843 3.700 20 0 EHADLO Cc1nc(C[N@H+](C)CCOc2ccccc2Br)cs1 ZINC000093547263 1030629120 /nfs/dbraw/zinc/62/91/20/1030629120.db2.gz OSGPFQAPHJLYJO-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO Cc1nc(C[N@@H+](C)CCOc2ccccc2Br)cs1 ZINC000093547263 1030629127 /nfs/dbraw/zinc/62/91/27/1030629127.db2.gz OSGPFQAPHJLYJO-UHFFFAOYSA-N 1 2 341.274 3.725 20 0 EHADLO CCCCC[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042464762 1030635233 /nfs/dbraw/zinc/63/52/33/1030635233.db2.gz FDXIUZXUUXSCHB-OAHLLOKOSA-N 1 2 333.501 3.961 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)[nH+]c12 ZINC000527092694 1030639249 /nfs/dbraw/zinc/63/92/49/1030639249.db2.gz RXXZOMONWZIIFD-OALUTQOASA-N 1 2 347.462 3.713 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000482682034 1030646577 /nfs/dbraw/zinc/64/65/77/1030646577.db2.gz IYQUUVAXMXWRAS-JTDSTZFVSA-N 1 2 325.456 3.734 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccccc1C(F)(F)F ZINC000194066813 1030648563 /nfs/dbraw/zinc/64/85/63/1030648563.db2.gz LAYUCCCYSSBWPT-UHFFFAOYSA-N 1 2 338.333 3.724 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccn2)s1 ZINC000093707317 1030665324 /nfs/dbraw/zinc/66/53/24/1030665324.db2.gz AOTZUUNMANZZAV-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccccn2)s1 ZINC000093707317 1030665333 /nfs/dbraw/zinc/66/53/33/1030665333.db2.gz AOTZUUNMANZZAV-UHFFFAOYSA-N 1 2 343.452 3.755 20 0 EHADLO Cc1cc(C)n2c(C[N@@H+]3CCc4ccc(Cl)cc4C3)cnc2n1 ZINC000093838243 1030680832 /nfs/dbraw/zinc/68/08/32/1030680832.db2.gz FWPPCUIZFHAXQD-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO Cc1cc(C)n2c(C[N@H+]3CCc4ccc(Cl)cc4C3)cnc2n1 ZINC000093838243 1030680844 /nfs/dbraw/zinc/68/08/44/1030680844.db2.gz FWPPCUIZFHAXQD-UHFFFAOYSA-N 1 2 326.831 3.558 20 0 EHADLO CCOc1cc(C[N@H+](C)Cc2ccnn2CC)ccc1OC(F)F ZINC000130422080 1030747634 /nfs/dbraw/zinc/74/76/34/1030747634.db2.gz AOECNLPSGLYJHM-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO CCOc1cc(C[N@@H+](C)Cc2ccnn2CC)ccc1OC(F)F ZINC000130422080 1030747647 /nfs/dbraw/zinc/74/76/47/1030747647.db2.gz AOECNLPSGLYJHM-UHFFFAOYSA-N 1 2 339.386 3.535 20 0 EHADLO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1nc(-c2cccs2)no1 ZINC000527324444 1030797025 /nfs/dbraw/zinc/79/70/25/1030797025.db2.gz FKZPGUNXMKLJBN-ABAIWWIYSA-N 1 2 326.425 3.995 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247002215 1030828334 /nfs/dbraw/zinc/82/83/34/1030828334.db2.gz BNNLBQYHXAMVNX-ZIAGYGMSSA-N 1 2 331.464 3.616 20 0 EHADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247002215 1030828344 /nfs/dbraw/zinc/82/83/44/1030828344.db2.gz BNNLBQYHXAMVNX-ZIAGYGMSSA-N 1 2 331.464 3.616 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157778178 1030835144 /nfs/dbraw/zinc/83/51/44/1030835144.db2.gz FQVRZUHZYLZNAN-NSHDSACASA-N 1 2 335.473 3.645 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c(C)[nH+]1 ZINC000097040403 1030886056 /nfs/dbraw/zinc/88/60/56/1030886056.db2.gz GMWUDIVLDDRGOM-UHFFFAOYSA-N 1 2 339.317 3.595 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1F ZINC000150815088 1030940381 /nfs/dbraw/zinc/94/03/81/1030940381.db2.gz YMQPYZHSXPHDOC-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527528528 1030973981 /nfs/dbraw/zinc/97/39/81/1030973981.db2.gz XJRAZIOVKDZDCA-LLVKDONJSA-N 1 2 347.846 3.939 20 0 EHADLO COc1ccc(Cl)c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527528528 1030973998 /nfs/dbraw/zinc/97/39/98/1030973998.db2.gz XJRAZIOVKDZDCA-LLVKDONJSA-N 1 2 347.846 3.939 20 0 EHADLO CC[C@@H](C)[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000460527474 1030984033 /nfs/dbraw/zinc/98/40/33/1030984033.db2.gz YETQBLLEXBVFNE-CXAGYDPISA-N 1 2 346.862 3.849 20 0 EHADLO c1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)n(-c2ccccc2)n1 ZINC000448345072 1030996530 /nfs/dbraw/zinc/99/65/30/1030996530.db2.gz QJOGPPWLKYKYDH-JOCHJYFZSA-N 1 2 345.446 3.546 20 0 EHADLO c1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)n(-c2ccccc2)n1 ZINC000448345072 1030996540 /nfs/dbraw/zinc/99/65/40/1030996540.db2.gz QJOGPPWLKYKYDH-JOCHJYFZSA-N 1 2 345.446 3.546 20 0 EHADLO Cn1nc(C2CC2)nc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000583869503 1031002746 /nfs/dbraw/zinc/00/27/46/1031002746.db2.gz RUEVTDQBIIKMLX-GOSISDBHSA-N 1 2 328.435 3.853 20 0 EHADLO c1coc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]2CCCO2)c1 ZINC000098136491 1031011859 /nfs/dbraw/zinc/01/18/59/1031011859.db2.gz DODYMYCYZVRULX-HXUWFJFHSA-N 1 2 337.423 3.647 20 0 EHADLO c1coc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]2CCCO2)c1 ZINC000098136491 1031011871 /nfs/dbraw/zinc/01/18/71/1031011871.db2.gz DODYMYCYZVRULX-HXUWFJFHSA-N 1 2 337.423 3.647 20 0 EHADLO CCCCn1ncc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1C ZINC000448421612 1031040730 /nfs/dbraw/zinc/04/07/30/1031040730.db2.gz ORWSFKUREUTHJY-KRWDZBQOSA-N 1 2 348.878 3.886 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C(C)C)C1 ZINC000476895054 1031059274 /nfs/dbraw/zinc/05/92/74/1031059274.db2.gz NHHWECSDFLKBJF-CYBMUJFWSA-N 1 2 335.398 3.518 20 0 EHADLO C[C@H](N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1)C(F)(F)F ZINC000483268698 1031077617 /nfs/dbraw/zinc/07/76/17/1031077617.db2.gz LAGMOMGHERUZMT-AWEZNQCLSA-N 1 2 342.405 3.544 20 0 EHADLO COc1ccccc1C(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343483376 1031086939 /nfs/dbraw/zinc/08/69/39/1031086939.db2.gz NOYZCGPJJGDZCM-UHFFFAOYSA-N 1 2 349.434 3.605 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000551183533 1031088972 /nfs/dbraw/zinc/08/89/72/1031088972.db2.gz MVYZWXSHCZZRAT-SFHVURJKSA-N 1 2 335.373 3.772 20 0 EHADLO COCc1noc([C@H](C)[N@H+](C)CCOc2ccccc2C(C)(C)C)n1 ZINC000483310739 1031106187 /nfs/dbraw/zinc/10/61/87/1031106187.db2.gz ONLRSQMCXSZZIM-AWEZNQCLSA-N 1 2 347.459 3.585 20 0 EHADLO COCc1noc([C@H](C)[N@@H+](C)CCOc2ccccc2C(C)(C)C)n1 ZINC000483310739 1031106204 /nfs/dbraw/zinc/10/62/04/1031106204.db2.gz ONLRSQMCXSZZIM-AWEZNQCLSA-N 1 2 347.459 3.585 20 0 EHADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1C=CCCC1 ZINC000483356604 1031125648 /nfs/dbraw/zinc/12/56/48/1031125648.db2.gz ORGVZDQEVJLZPL-OAHLLOKOSA-N 1 2 347.260 3.570 20 0 EHADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1C=CCCC1 ZINC000483356604 1031125654 /nfs/dbraw/zinc/12/56/54/1031125654.db2.gz ORGVZDQEVJLZPL-OAHLLOKOSA-N 1 2 347.260 3.570 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000583917234 1031133777 /nfs/dbraw/zinc/13/37/77/1031133777.db2.gz JEKUQCXMVIEMOK-FQEVSTJZSA-N 1 2 332.451 3.794 20 0 EHADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000583917234 1031133781 /nfs/dbraw/zinc/13/37/81/1031133781.db2.gz JEKUQCXMVIEMOK-FQEVSTJZSA-N 1 2 332.451 3.794 20 0 EHADLO COC(=O)c1ccc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)[nH]1 ZINC000483425718 1031157172 /nfs/dbraw/zinc/15/71/72/1031157172.db2.gz ZCKOONYOWRDNIU-UHFFFAOYSA-N 1 2 340.345 3.756 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)[nH]1 ZINC000483425718 1031157179 /nfs/dbraw/zinc/15/71/79/1031157179.db2.gz ZCKOONYOWRDNIU-UHFFFAOYSA-N 1 2 340.345 3.756 20 0 EHADLO Cc1nnc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097216 1031165916 /nfs/dbraw/zinc/16/59/16/1031165916.db2.gz PSRKXXDKIRQMJQ-GUYCJALGSA-N 1 2 328.460 3.545 20 0 EHADLO Cc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097216 1031165924 /nfs/dbraw/zinc/16/59/24/1031165924.db2.gz PSRKXXDKIRQMJQ-GUYCJALGSA-N 1 2 328.460 3.545 20 0 EHADLO FC(F)Oc1cccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000483437362 1031169569 /nfs/dbraw/zinc/16/95/69/1031169569.db2.gz GUTVKOZCICELAN-GOSISDBHSA-N 1 2 349.377 3.568 20 0 EHADLO FC(F)Oc1cccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000483437362 1031169581 /nfs/dbraw/zinc/16/95/81/1031169581.db2.gz GUTVKOZCICELAN-GOSISDBHSA-N 1 2 349.377 3.568 20 0 EHADLO CCC1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCC(F)(F)CC1 ZINC000611795336 1031169913 /nfs/dbraw/zinc/16/99/13/1031169913.db2.gz ODIJRERUEUNZGI-UHFFFAOYSA-N 1 2 349.425 3.907 20 0 EHADLO Cc1nc(CNC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[nH]c1C ZINC000583946258 1031184301 /nfs/dbraw/zinc/18/43/01/1031184301.db2.gz VKGOXCNRYHJUHR-KRWDZBQOSA-N 1 2 332.879 3.607 20 0 EHADLO CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174395093 1031211204 /nfs/dbraw/zinc/21/12/04/1031211204.db2.gz DEXTWVONSZKEEP-WBVHZDCISA-N 1 2 329.469 3.619 20 0 EHADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174395083 1031211865 /nfs/dbraw/zinc/21/18/65/1031211865.db2.gz DEXTWVONSZKEEP-NVXWUHKLSA-N 1 2 329.469 3.619 20 0 EHADLO CC(C)(C)c1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)no1 ZINC000375743019 1031239361 /nfs/dbraw/zinc/23/93/61/1031239361.db2.gz NLCCUKYXNIMVKE-KRWDZBQOSA-N 1 2 336.476 3.522 20 0 EHADLO CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000477089928 1031242867 /nfs/dbraw/zinc/24/28/67/1031242867.db2.gz PBFZQMKYESDTNF-KDOFPFPSSA-N 1 2 341.455 3.886 20 0 EHADLO FC1(F)CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000583969837 1031261943 /nfs/dbraw/zinc/26/19/43/1031261943.db2.gz BZFNBIRRVAFOSI-GFCCVEGCSA-N 1 2 329.354 3.663 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175032722 1031267556 /nfs/dbraw/zinc/26/75/56/1031267556.db2.gz GIVWLGIJXZYMJR-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc([C@@H](C)OC)no2)cc1 ZINC000175032722 1031267569 /nfs/dbraw/zinc/26/75/69/1031267569.db2.gz GIVWLGIJXZYMJR-CJNGLKHVSA-N 1 2 331.416 3.513 20 0 EHADLO Cc1cocc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000527796044 1031270256 /nfs/dbraw/zinc/27/02/56/1031270256.db2.gz UQPCCWWJFLDLCX-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO Cc1cocc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000527796044 1031270264 /nfs/dbraw/zinc/27/02/64/1031270264.db2.gz UQPCCWWJFLDLCX-UHFFFAOYSA-N 1 2 332.831 3.590 20 0 EHADLO c1cn(Cc2cccc(-c3noc(-c4coc(C5CCC5)n4)n3)c2)c[nH+]1 ZINC000685242883 1031273975 /nfs/dbraw/zinc/27/39/75/1031273975.db2.gz LLBNYGISALOQGZ-UHFFFAOYSA-N 1 2 347.378 3.904 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000219457284 1031287054 /nfs/dbraw/zinc/28/70/54/1031287054.db2.gz AELDGGGWJQLULW-UHFFFAOYSA-N 1 2 345.446 3.948 20 0 EHADLO O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000219457284 1031287063 /nfs/dbraw/zinc/28/70/63/1031287063.db2.gz AELDGGGWJQLULW-UHFFFAOYSA-N 1 2 345.446 3.948 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1ncccc1F ZINC000527826235 1031292202 /nfs/dbraw/zinc/29/22/02/1031292202.db2.gz ILLFKEZMTCAPSZ-NSHDSACASA-N 1 2 330.432 3.967 20 0 EHADLO CC[C@H](C)[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000116723897 1031321411 /nfs/dbraw/zinc/32/14/11/1031321411.db2.gz AFMHGGYUNNWNJK-OXJNMPFZSA-N 1 2 339.483 3.708 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1ccccc1 ZINC000175555099 1031347663 /nfs/dbraw/zinc/34/76/63/1031347663.db2.gz DHVBVQMAMJUEJM-JTQLQIEISA-N 1 2 348.200 3.943 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C(C)C)n1 ZINC000448630813 1031351681 /nfs/dbraw/zinc/35/16/81/1031351681.db2.gz SASWKOPJSSZFSW-UHFFFAOYSA-N 1 2 348.450 3.688 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(-c3ccccc3OC)no2)s1 ZINC000657814019 1031356501 /nfs/dbraw/zinc/35/65/01/1031356501.db2.gz FHMVLWPJWXHCCS-UHFFFAOYSA-N 1 2 329.425 3.659 20 0 EHADLO Cc1ccc(CC2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cc1C ZINC000584003398 1031378934 /nfs/dbraw/zinc/37/89/34/1031378934.db2.gz DDIRRBBNQYMXIN-KRWDZBQOSA-N 1 2 339.483 3.686 20 0 EHADLO Cc1ccc(CC2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cc1C ZINC000584003398 1031378946 /nfs/dbraw/zinc/37/89/46/1031378946.db2.gz DDIRRBBNQYMXIN-KRWDZBQOSA-N 1 2 339.483 3.686 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894570 1031390260 /nfs/dbraw/zinc/39/02/60/1031390260.db2.gz UDDJFOIKHNSCFR-DYVFJYSZSA-N 1 2 327.453 3.533 20 0 EHADLO CC1(C)C[C@@]1(C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000668298350 1031424281 /nfs/dbraw/zinc/42/42/81/1031424281.db2.gz WEINDACYPYIDJR-NRFANRHFSA-N 1 2 337.467 3.758 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132853006 1031437827 /nfs/dbraw/zinc/43/78/27/1031437827.db2.gz GMXCUBFYHLSULU-CYBMUJFWSA-N 1 2 330.453 3.532 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132853006 1031437835 /nfs/dbraw/zinc/43/78/35/1031437835.db2.gz GMXCUBFYHLSULU-CYBMUJFWSA-N 1 2 330.453 3.532 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000448704825 1031486412 /nfs/dbraw/zinc/48/64/12/1031486412.db2.gz PIKRYXPRDBMWRN-VQTJNVASSA-N 1 2 349.478 3.751 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000448704823 1031487113 /nfs/dbraw/zinc/48/71/13/1031487113.db2.gz PIKRYXPRDBMWRN-PMACEKPBSA-N 1 2 349.478 3.751 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC=CC[C@H]3C)CC2)c1 ZINC000551636478 1031519089 /nfs/dbraw/zinc/51/90/89/1031519089.db2.gz NFEKAZNZWAFNMK-MBOZVWFJSA-N 1 2 342.483 3.503 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C)cc1 ZINC000177726986 1031562894 /nfs/dbraw/zinc/56/28/94/1031562894.db2.gz POLWEKDKZSLNKX-YTQUADARSA-N 1 2 340.471 3.935 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000347438389 1031579563 /nfs/dbraw/zinc/57/95/63/1031579563.db2.gz WTXUQCDJGZJDDR-OIISXLGYSA-N 1 2 343.858 3.583 20 0 EHADLO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528036060 1031615955 /nfs/dbraw/zinc/61/59/55/1031615955.db2.gz OGAUEUYEKPIZOK-RYUDHWBXSA-N 1 2 331.391 3.600 20 0 EHADLO COc1ccccc1-c1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000548817127 1031667818 /nfs/dbraw/zinc/66/78/18/1031667818.db2.gz SBCSONYJKUNKEY-OAHLLOKOSA-N 1 2 349.434 3.516 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2noc(C3CCOCC3)n2)c1 ZINC000133652206 1031669276 /nfs/dbraw/zinc/66/92/76/1031669276.db2.gz GYTSFCZNSADIMT-SFHVURJKSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2noc(C3CCOCC3)n2)c1 ZINC000133652206 1031669293 /nfs/dbraw/zinc/66/92/93/1031669293.db2.gz GYTSFCZNSADIMT-SFHVURJKSA-N 1 2 341.455 3.918 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000178366805 1031690794 /nfs/dbraw/zinc/69/07/94/1031690794.db2.gz ZSPDVOHLQKQWDP-WOJBJXKFSA-N 1 2 341.414 3.907 20 0 EHADLO CCS[C@H](C)c1noc([C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904098273 1031725005 /nfs/dbraw/zinc/72/50/05/1031725005.db2.gz RUXGYHBSCLXEJX-KCJUWKMLSA-N 1 2 342.262 3.694 20 0 EHADLO CCCCCOc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000151624818 1031763231 /nfs/dbraw/zinc/76/32/31/1031763231.db2.gz YEYZDRJNBKNJPN-HXUWFJFHSA-N 1 2 340.467 3.880 20 0 EHADLO Cc1cc(C)c(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000179731710 1031774485 /nfs/dbraw/zinc/77/44/85/1031774485.db2.gz JMDRIVUVZRUHRI-UHFFFAOYSA-N 1 2 347.462 3.716 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000179482238 1031778108 /nfs/dbraw/zinc/77/81/08/1031778108.db2.gz IWRIANOBWSSCLP-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000179482238 1031778120 /nfs/dbraw/zinc/77/81/20/1031778120.db2.gz IWRIANOBWSSCLP-UHFFFAOYSA-N 1 2 346.833 3.827 20 0 EHADLO COc1ccc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc2n1 ZINC000117647588 1031788170 /nfs/dbraw/zinc/78/81/70/1031788170.db2.gz RPZZELBODHFVPO-UHFFFAOYSA-N 1 2 344.374 3.681 20 0 EHADLO CCc1cnc(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)o1 ZINC000552005686 1031840947 /nfs/dbraw/zinc/84/09/47/1031840947.db2.gz SIPKIHFSXSQEGI-UHFFFAOYSA-N 1 2 333.863 3.517 20 0 EHADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(Oc3ccccc3)c2)nn1 ZINC000924641425 1031850042 /nfs/dbraw/zinc/85/00/42/1031850042.db2.gz YKRYBJBAVIOUTK-OAHLLOKOSA-N 1 2 337.427 3.897 20 0 EHADLO c1cn(CCCSc2nnc(-c3c[nH]c4ccccc43)o2)c[nH+]1 ZINC000180428796 1031854155 /nfs/dbraw/zinc/85/41/55/1031854155.db2.gz VORKCFCJJMBKON-UHFFFAOYSA-N 1 2 325.397 3.597 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000448909164 1031871200 /nfs/dbraw/zinc/87/12/00/1031871200.db2.gz IJXHZFXCZBHXDN-RBUKOAKNSA-N 1 2 337.467 3.974 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)[C@H]2OCCc3sccc32)n1 ZINC000904268506 1031894965 /nfs/dbraw/zinc/89/49/65/1031894965.db2.gz SSWUQIGKLQTUBH-MEBBXXQBSA-N 1 2 342.424 3.501 20 0 EHADLO O=C(NCC[C@H]1CC=CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528230498 1031936590 /nfs/dbraw/zinc/93/65/90/1031936590.db2.gz IDFQWWFMKUBEMH-SFHVURJKSA-N 1 2 344.503 3.831 20 0 EHADLO O=C(NCc1ccoc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278678361 1031956921 /nfs/dbraw/zinc/95/69/21/1031956921.db2.gz RLOBBZNGUSOMRU-UHFFFAOYSA-N 1 2 336.395 3.801 20 0 EHADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347488950 1031989729 /nfs/dbraw/zinc/98/97/29/1031989729.db2.gz RUHVHHKGNRDXIJ-GDBMZVCRSA-N 1 2 345.874 3.658 20 0 EHADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000924646815 1031991736 /nfs/dbraw/zinc/99/17/36/1031991736.db2.gz CKCQPJPUNJGRQQ-INIZCTEOSA-N 1 2 327.428 3.867 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(O)c1 ZINC000181505021 1031998123 /nfs/dbraw/zinc/99/81/23/1031998123.db2.gz PASHHLYROHQBAT-SNVBAGLBSA-N 1 2 331.322 3.571 20 0 EHADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccnc1 ZINC000181656664 1032015427 /nfs/dbraw/zinc/01/54/27/1032015427.db2.gz HBBMWAFQNQEMIO-LLVKDONJSA-N 1 2 348.237 3.820 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000449013219 1032021624 /nfs/dbraw/zinc/02/16/24/1032021624.db2.gz BMSWFQOCYJUOMM-GJZGRUSLSA-N 1 2 336.407 3.842 20 0 EHADLO Fc1cccc(F)c1-c1ncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000449013219 1032021640 /nfs/dbraw/zinc/02/16/40/1032021640.db2.gz BMSWFQOCYJUOMM-GJZGRUSLSA-N 1 2 336.407 3.842 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000449016374 1032028138 /nfs/dbraw/zinc/02/81/38/1032028138.db2.gz VURVZCQFZNXCSI-UHFFFAOYSA-N 1 2 344.430 3.830 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000449016374 1032028149 /nfs/dbraw/zinc/02/81/49/1032028149.db2.gz VURVZCQFZNXCSI-UHFFFAOYSA-N 1 2 344.430 3.830 20 0 EHADLO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000278696424 1032032989 /nfs/dbraw/zinc/03/29/89/1032032989.db2.gz KUCOAWPJNBNDNE-STQMWFEESA-N 1 2 341.411 3.848 20 0 EHADLO CCC(CC)Oc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC001168358200 1032033610 /nfs/dbraw/zinc/03/36/10/1032033610.db2.gz HRHRPHOOCVRZIN-UHFFFAOYSA-N 1 2 329.444 3.616 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000449019306 1032034276 /nfs/dbraw/zinc/03/42/76/1032034276.db2.gz QWWIKTBVWMRSTF-CYBMUJFWSA-N 1 2 338.224 3.622 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000449019306 1032034284 /nfs/dbraw/zinc/03/42/84/1032034284.db2.gz QWWIKTBVWMRSTF-CYBMUJFWSA-N 1 2 338.224 3.622 20 0 EHADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459400586 1032040239 /nfs/dbraw/zinc/04/02/39/1032040239.db2.gz MRSHMBSYXGSBCY-PKOBYXMFSA-N 1 2 342.443 3.518 20 0 EHADLO COCC[N@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CC[C@@H](C)C1 ZINC000484889183 1032055005 /nfs/dbraw/zinc/05/50/05/1032055005.db2.gz RVDRISKQTVYAGW-CRAIPNDOSA-N 1 2 343.471 3.606 20 0 EHADLO COCC[N@@H+](Cc1noc(Cc2ccccc2C)n1)[C@@H]1CC[C@@H](C)C1 ZINC000484889183 1032055017 /nfs/dbraw/zinc/05/50/17/1032055017.db2.gz RVDRISKQTVYAGW-CRAIPNDOSA-N 1 2 343.471 3.606 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000173419295 1033315015 /nfs/dbraw/zinc/31/50/15/1033315015.db2.gz ZPZSWEZELCDRRK-CQSZACIVSA-N 1 2 340.389 3.543 20 0 EHADLO C[C@@H]1C[C@@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001168113509 1033371205 /nfs/dbraw/zinc/37/12/05/1033371205.db2.gz GUDOPSBBCYBPAO-RYRKJORJSA-N 1 2 347.503 3.534 20 0 EHADLO C[C@@H]1C[C@@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001168113509 1033371212 /nfs/dbraw/zinc/37/12/12/1033371212.db2.gz GUDOPSBBCYBPAO-RYRKJORJSA-N 1 2 347.503 3.534 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187194 1033384797 /nfs/dbraw/zinc/38/47/97/1033384797.db2.gz DVGUJYGOLUUTPC-RTBURBONSA-N 1 2 329.415 3.575 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187194 1033384808 /nfs/dbraw/zinc/38/48/08/1033384808.db2.gz DVGUJYGOLUUTPC-RTBURBONSA-N 1 2 329.415 3.575 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)cc(F)cc2F)n1 ZINC000898312338 1033448463 /nfs/dbraw/zinc/44/84/63/1033448463.db2.gz BMKQCAMYMRWINU-UHFFFAOYSA-N 1 2 343.374 3.655 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC(C)(C)c2cccc(Cl)c2F)c[nH+]1 ZINC000898331151 1033454545 /nfs/dbraw/zinc/45/45/45/1033454545.db2.gz FOHWBFMDMNZPGS-UHFFFAOYSA-N 1 2 337.826 3.771 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472337202 1033473136 /nfs/dbraw/zinc/47/31/36/1033473136.db2.gz PBHWRXUALMCVEH-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472337202 1033473144 /nfs/dbraw/zinc/47/31/44/1033473144.db2.gz PBHWRXUALMCVEH-KXBFYZLASA-N 1 2 347.455 3.683 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3nc4c(ccc(F)c4F)s3)n2c1 ZINC000537500411 1033500011 /nfs/dbraw/zinc/50/00/11/1033500011.db2.gz LMZNOLIQPAHQRN-UHFFFAOYSA-N 1 2 330.363 3.565 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000685562312 1033565555 /nfs/dbraw/zinc/56/55/55/1033565555.db2.gz QCPBQXMVSTYEBB-UHFFFAOYSA-N 1 2 335.492 3.633 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@H]1c1cccc(F)c1 ZINC000472343447 1033576757 /nfs/dbraw/zinc/57/67/57/1033576757.db2.gz AIAGJTVQUMLAEY-MEBBXXQBSA-N 1 2 343.324 3.897 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@H]1c1cccc(F)c1 ZINC000472343447 1033576759 /nfs/dbraw/zinc/57/67/59/1033576759.db2.gz AIAGJTVQUMLAEY-MEBBXXQBSA-N 1 2 343.324 3.897 20 0 EHADLO O=C([C@H]1CCCC12CC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529208202 1033600283 /nfs/dbraw/zinc/60/02/83/1033600283.db2.gz OCXPMVZIHCOQJT-QGZVFWFLSA-N 1 2 327.472 3.506 20 0 EHADLO COC[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1ccco1 ZINC000598964952 1033601210 /nfs/dbraw/zinc/60/12/10/1033601210.db2.gz IJCPENZUGDXELZ-ZDUSSCGKSA-N 1 2 337.441 3.774 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000529228357 1033632757 /nfs/dbraw/zinc/63/27/57/1033632757.db2.gz ZGZRGWDCKIPCOB-AWEZNQCLSA-N 1 2 327.428 3.917 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529248918 1033653295 /nfs/dbraw/zinc/65/32/95/1033653295.db2.gz UWCHZYVPVPVDMH-LBPRGKRZSA-N 1 2 348.834 3.792 20 0 EHADLO COc1c(C)cc(Cl)cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000529236386 1033665199 /nfs/dbraw/zinc/66/51/99/1033665199.db2.gz DZSBTOFHCDKOLS-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO CCC[C@@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608390161 1033669225 /nfs/dbraw/zinc/66/92/25/1033669225.db2.gz JOPBIJWVUKGADW-MRXNPFEDSA-N 1 2 332.492 3.518 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410663 1033697801 /nfs/dbraw/zinc/69/78/01/1033697801.db2.gz MFJUHDQRTNWENX-MAUKXSAKSA-N 1 2 344.434 3.595 20 0 EHADLO CC(=O)N1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000081526529 1033763097 /nfs/dbraw/zinc/76/30/97/1033763097.db2.gz GCLNCSRTAMWSCF-UHFFFAOYSA-N 1 2 346.434 3.636 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1SC(F)F ZINC000761111223 1033824216 /nfs/dbraw/zinc/82/42/16/1033824216.db2.gz XEBUNGWKSDIZLI-SECBINFHSA-N 1 2 336.354 3.527 20 0 EHADLO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1SC(F)F ZINC000761111223 1033824231 /nfs/dbraw/zinc/82/42/31/1033824231.db2.gz XEBUNGWKSDIZLI-SECBINFHSA-N 1 2 336.354 3.527 20 0 EHADLO O=C(N[C@H](CC1CC1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000608716563 1033851025 /nfs/dbraw/zinc/85/10/25/1033851025.db2.gz WDGDQZJSRVPVJO-QZTJIDSGSA-N 1 2 338.455 3.840 20 0 EHADLO CCC[C@H](CC(C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000450174711 1033853677 /nfs/dbraw/zinc/85/36/77/1033853677.db2.gz UKHZTRKTTMZUBU-MRXNPFEDSA-N 1 2 333.476 3.628 20 0 EHADLO C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000608747600 1033856235 /nfs/dbraw/zinc/85/62/35/1033856235.db2.gz BKASHWXLXOGQNZ-FZMZJTMJSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000608747600 1033856248 /nfs/dbraw/zinc/85/62/48/1033856248.db2.gz BKASHWXLXOGQNZ-FZMZJTMJSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000608747599 1033857170 /nfs/dbraw/zinc/85/71/70/1033857170.db2.gz BKASHWXLXOGQNZ-BXUZGUMPSA-N 1 2 337.769 3.761 20 0 EHADLO C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000608747599 1033857187 /nfs/dbraw/zinc/85/71/87/1033857187.db2.gz BKASHWXLXOGQNZ-BXUZGUMPSA-N 1 2 337.769 3.761 20 0 EHADLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(c3ccco3)CC2)cs1 ZINC000595616844 1033901219 /nfs/dbraw/zinc/90/12/19/1033901219.db2.gz DRTAWTWONGDAHJ-UHFFFAOYSA-N 1 2 348.468 3.610 20 0 EHADLO CC(=O)NCc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000658073382 1033915986 /nfs/dbraw/zinc/91/59/86/1033915986.db2.gz NUODQIZGQLHVMO-IBGZPJMESA-N 1 2 346.421 3.679 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120558304 1033928846 /nfs/dbraw/zinc/92/88/46/1033928846.db2.gz YHOKTKGKUNSNBA-DYVFJYSZSA-N 1 2 327.453 3.666 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120558304 1033928859 /nfs/dbraw/zinc/92/88/59/1033928859.db2.gz YHOKTKGKUNSNBA-DYVFJYSZSA-N 1 2 327.453 3.666 20 0 EHADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3C[C@@H](C)n4ncnc43)oc21 ZINC000658101912 1033950206 /nfs/dbraw/zinc/95/02/06/1033950206.db2.gz NEFBWPDHUBPRRS-DYEKYZERSA-N 1 2 326.400 3.780 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2occc2Br)c1 ZINC000227364460 1033952339 /nfs/dbraw/zinc/95/23/39/1033952339.db2.gz GBRHOWBWQGYUPR-JTQLQIEISA-N 1 2 340.217 3.910 20 0 EHADLO C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)c1nnc2n1CCC2 ZINC000450245486 1033980741 /nfs/dbraw/zinc/98/07/41/1033980741.db2.gz RLKVITPPXIHEKF-SECBINFHSA-N 1 2 331.782 3.738 20 0 EHADLO CC(C)OC(=O)CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845548 1034006367 /nfs/dbraw/zinc/00/63/67/1034006367.db2.gz OVYWDZUDFQPXAJ-AWEZNQCLSA-N 1 2 326.234 3.538 20 0 EHADLO CC(C)OC(=O)CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845548 1034006349 /nfs/dbraw/zinc/00/63/49/1034006349.db2.gz OVYWDZUDFQPXAJ-AWEZNQCLSA-N 1 2 326.234 3.538 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000595826275 1034012829 /nfs/dbraw/zinc/01/28/29/1034012829.db2.gz LOHFUEVGKAZKHL-ZBFHGGJFSA-N 1 2 346.500 3.594 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000595826275 1034012844 /nfs/dbraw/zinc/01/28/44/1034012844.db2.gz LOHFUEVGKAZKHL-ZBFHGGJFSA-N 1 2 346.500 3.594 20 0 EHADLO Cc1cccc2sc(C(=O)N3CC(n4cc[nH+]c4)C3)c(Cl)c21 ZINC000603917121 1034044956 /nfs/dbraw/zinc/04/49/56/1034044956.db2.gz DTOGNAFZJHJMGD-UHFFFAOYSA-N 1 2 331.828 3.757 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC(n3cncn3)CC2)c1 ZINC000450289999 1034063623 /nfs/dbraw/zinc/06/36/23/1034063623.db2.gz CMROHQPDIIDBST-UHFFFAOYSA-N 1 2 347.344 3.687 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(OC(C)(C)C)cc2)c1 ZINC000596091336 1034078717 /nfs/dbraw/zinc/07/87/17/1034078717.db2.gz IIENJOARSPHVDS-UHFFFAOYSA-N 1 2 328.412 3.587 20 0 EHADLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667058 1034078642 /nfs/dbraw/zinc/07/86/42/1034078642.db2.gz PJJWQPLBTXVQHU-BBRMVZONSA-N 1 2 336.391 3.661 20 0 EHADLO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667058 1034078656 /nfs/dbraw/zinc/07/86/56/1034078656.db2.gz PJJWQPLBTXVQHU-BBRMVZONSA-N 1 2 336.391 3.661 20 0 EHADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667064 1034078742 /nfs/dbraw/zinc/07/87/42/1034078742.db2.gz PJJWQPLBTXVQHU-CZUORRHYSA-N 1 2 336.391 3.661 20 0 EHADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)Cc2ccccc21 ZINC000599667064 1034078759 /nfs/dbraw/zinc/07/87/59/1034078759.db2.gz PJJWQPLBTXVQHU-CZUORRHYSA-N 1 2 336.391 3.661 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CCCOc3ccccc3)CCO2)c1 ZINC000119119579 1034088919 /nfs/dbraw/zinc/08/89/19/1034088919.db2.gz AAODENKNVFHFJX-HXUWFJFHSA-N 1 2 327.424 3.538 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CCCOc3ccccc3)CCO2)c1 ZINC000119119579 1034088931 /nfs/dbraw/zinc/08/89/31/1034088931.db2.gz AAODENKNVFHFJX-HXUWFJFHSA-N 1 2 327.424 3.538 20 0 EHADLO COc1ccc([C@@H](CCC(C)C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658233879 1034095287 /nfs/dbraw/zinc/09/52/87/1034095287.db2.gz UCMFJOGOTQNFGE-OAHLLOKOSA-N 1 2 347.484 3.518 20 0 EHADLO CCOC(=O)c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)nc1 ZINC000599696690 1034100769 /nfs/dbraw/zinc/10/07/69/1034100769.db2.gz FHLQCDMZQRAYGZ-UHFFFAOYSA-N 1 2 346.377 3.706 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)nnn1-c1ccccc1 ZINC000658237147 1034101880 /nfs/dbraw/zinc/10/18/80/1034101880.db2.gz BYUSIWYPLSJKIU-BFUOFWGJSA-N 1 2 334.423 3.619 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000119298637 1034111516 /nfs/dbraw/zinc/11/15/16/1034111516.db2.gz RSKWIBMBCFYWKU-CQSZACIVSA-N 1 2 347.459 3.567 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450318884 1034126902 /nfs/dbraw/zinc/12/69/02/1034126902.db2.gz XIERWIFKNFKHEF-SJORKVTESA-N 1 2 336.426 3.653 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000450318884 1034126909 /nfs/dbraw/zinc/12/69/09/1034126909.db2.gz XIERWIFKNFKHEF-SJORKVTESA-N 1 2 336.426 3.653 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000599706310 1034131925 /nfs/dbraw/zinc/13/19/25/1034131925.db2.gz LAFJCDINTBGQGL-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000599706310 1034131933 /nfs/dbraw/zinc/13/19/33/1034131933.db2.gz LAFJCDINTBGQGL-CLLJXQQHSA-N 1 2 334.441 3.565 20 0 EHADLO Brc1sccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000529526045 1034137618 /nfs/dbraw/zinc/13/76/18/1034137618.db2.gz PNEZQZLSXCWOCQ-UHFFFAOYSA-N 1 2 326.263 3.613 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000537616064 1034158808 /nfs/dbraw/zinc/15/88/08/1034158808.db2.gz IRSYMOPMKCOSFC-FZKQIMNGSA-N 1 2 329.371 3.516 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000537616064 1034158817 /nfs/dbraw/zinc/15/88/17/1034158817.db2.gz IRSYMOPMKCOSFC-FZKQIMNGSA-N 1 2 329.371 3.516 20 0 EHADLO COc1cccc(C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]2CCCO2)c1 ZINC000088579937 1034206628 /nfs/dbraw/zinc/20/66/28/1034206628.db2.gz RSLDHOQWQFGJDY-GOSISDBHSA-N 1 2 346.496 3.950 20 0 EHADLO COc1cccc(C[N@H+](Cc2nc(C)c(C)s2)C[C@H]2CCCO2)c1 ZINC000088579937 1034206639 /nfs/dbraw/zinc/20/66/39/1034206639.db2.gz RSLDHOQWQFGJDY-GOSISDBHSA-N 1 2 346.496 3.950 20 0 EHADLO CC1(C)C[N@H+](Cc2ccsc2Br)[C@H]1[C@H]1CCCO1 ZINC000529578368 1034207500 /nfs/dbraw/zinc/20/75/00/1034207500.db2.gz RFSYZGROLVTBRN-NEPJUHHUSA-N 1 2 330.291 3.900 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccsc2Br)[C@H]1[C@H]1CCCO1 ZINC000529578368 1034207511 /nfs/dbraw/zinc/20/75/11/1034207511.db2.gz RFSYZGROLVTBRN-NEPJUHHUSA-N 1 2 330.291 3.900 20 0 EHADLO FC(F)(F)c1ccc2c(cc[nH+]c2NCCCO[C@@H]2CCOC2)c1 ZINC000450373722 1034229110 /nfs/dbraw/zinc/22/91/10/1034229110.db2.gz ARRLFCZBZQKPRN-CQSZACIVSA-N 1 2 340.345 3.861 20 0 EHADLO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000658359644 1034241484 /nfs/dbraw/zinc/24/14/84/1034241484.db2.gz HHALXOPZPVRHIQ-CWSCBRNRSA-N 1 2 341.274 3.678 20 0 EHADLO Fc1cc2[nH+]ccc(N3CCC(Cn4ccnn4)CC3)c2cc1Cl ZINC000450404105 1034281774 /nfs/dbraw/zinc/28/17/74/1034281774.db2.gz MNTXKQHNESLTNZ-UHFFFAOYSA-N 1 2 345.809 3.535 20 0 EHADLO CS(=O)(=O)CC1(CNc2cc[nH+]c3c(Cl)cccc23)CCC1 ZINC000413583385 1034282368 /nfs/dbraw/zinc/28/23/68/1034282368.db2.gz OWOPTCOCGRPFAJ-UHFFFAOYSA-N 1 2 338.860 3.515 20 0 EHADLO NC(=O)CCC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450424669 1034287917 /nfs/dbraw/zinc/28/79/17/1034287917.db2.gz ZSAZAIYRDLMAGS-UHFFFAOYSA-N 1 2 335.810 3.509 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C(C)C ZINC000456298635 1034288949 /nfs/dbraw/zinc/28/89/49/1034288949.db2.gz RUPJHTGXMHDASU-RBUKOAKNSA-N 1 2 325.456 3.684 20 0 EHADLO C[C@H](C[C@H](C)O)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450434775 1034321585 /nfs/dbraw/zinc/32/15/85/1034321585.db2.gz HCMCNSJLPBIGAV-BDAKNGLRSA-N 1 2 327.197 3.708 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)N(c2nc(N(C)C)c3ccccc3[nH+]2)C1 ZINC000450440284 1034333983 /nfs/dbraw/zinc/33/39/83/1034333983.db2.gz NVEOPWFLUKCWKM-KSSFIOAISA-N 1 2 333.439 3.678 20 0 EHADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443324 1034338154 /nfs/dbraw/zinc/33/81/54/1034338154.db2.gz VCRGXMMBHOMAFK-CABCVRRESA-N 1 2 335.517 3.975 20 0 EHADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)s2)C12CCCCC2 ZINC000450443324 1034338165 /nfs/dbraw/zinc/33/81/65/1034338165.db2.gz VCRGXMMBHOMAFK-CABCVRRESA-N 1 2 335.517 3.975 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000121003304 1034346699 /nfs/dbraw/zinc/34/66/99/1034346699.db2.gz YAPMWQUJIUPPQT-SJCJKPOMSA-N 1 2 349.452 3.652 20 0 EHADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000121003304 1034346712 /nfs/dbraw/zinc/34/67/12/1034346712.db2.gz YAPMWQUJIUPPQT-SJCJKPOMSA-N 1 2 349.452 3.652 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)[nH+]cc3C)s2)o1 ZINC000534299918 1034357624 /nfs/dbraw/zinc/35/76/24/1034357624.db2.gz LPRXOVNYSLFFDZ-UHFFFAOYSA-N 1 2 327.409 3.706 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000450454683 1034362758 /nfs/dbraw/zinc/36/27/58/1034362758.db2.gz OXGTZFHAXVPQHR-UHFFFAOYSA-N 1 2 343.448 3.858 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000450454683 1034362765 /nfs/dbraw/zinc/36/27/65/1034362765.db2.gz OXGTZFHAXVPQHR-UHFFFAOYSA-N 1 2 343.448 3.858 20 0 EHADLO COC(=O)[C@@](C)([NH2+]CCCOc1cccc2ccccc21)C1CC1 ZINC000534315011 1034385729 /nfs/dbraw/zinc/38/57/29/1034385729.db2.gz QSYDDBAGCRKRKF-FQEVSTJZSA-N 1 2 327.424 3.540 20 0 EHADLO Cc1cc(NC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c(C)c[nH+]1 ZINC000534323601 1034399883 /nfs/dbraw/zinc/39/98/83/1034399883.db2.gz ITCBMVHLBUIJQO-BBATYDOGSA-N 1 2 327.403 3.705 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000604667389 1034448924 /nfs/dbraw/zinc/44/89/24/1034448924.db2.gz WQBQTRWFRFVGDY-SJORKVTESA-N 1 2 332.492 3.789 20 0 EHADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000302962911 1034463196 /nfs/dbraw/zinc/46/31/96/1034463196.db2.gz FALKLEUBPKVKRS-OAHLLOKOSA-N 1 2 337.398 3.821 20 0 EHADLO C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540611 1034484106 /nfs/dbraw/zinc/48/41/06/1034484106.db2.gz PGNDPDZZZPWQPS-GWKQRERASA-N 1 2 341.842 3.533 20 0 EHADLO C[C@H](O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547858 1034505814 /nfs/dbraw/zinc/50/58/14/1034505814.db2.gz FBAKGXHRAPIIKA-XHDPSFHLSA-N 1 2 345.270 3.557 20 0 EHADLO C[C@H](O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000450547858 1034505825 /nfs/dbraw/zinc/50/58/25/1034505825.db2.gz FBAKGXHRAPIIKA-XHDPSFHLSA-N 1 2 345.270 3.557 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604864514 1034535145 /nfs/dbraw/zinc/53/51/45/1034535145.db2.gz MOLQPHUIKPQXSE-UHOSZYNNSA-N 1 2 325.456 3.877 20 0 EHADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3n2C)ccc1Cl ZINC000450574758 1034538874 /nfs/dbraw/zinc/53/88/74/1034538874.db2.gz BJWRXDVSQGAAFA-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)ccc1Cl ZINC000450574758 1034538885 /nfs/dbraw/zinc/53/88/85/1034538885.db2.gz BJWRXDVSQGAAFA-UHFFFAOYSA-N 1 2 329.831 3.867 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597152250 1034567531 /nfs/dbraw/zinc/56/75/31/1034567531.db2.gz YKKLZJJDZVGYAV-GFCCVEGCSA-N 1 2 332.469 3.991 20 0 EHADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597152250 1034567549 /nfs/dbraw/zinc/56/75/49/1034567549.db2.gz YKKLZJJDZVGYAV-GFCCVEGCSA-N 1 2 332.469 3.991 20 0 EHADLO CC(C)c1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cs1 ZINC000121226395 1034571237 /nfs/dbraw/zinc/57/12/37/1034571237.db2.gz IUDIYRKTMYIXQY-AWEZNQCLSA-N 1 2 331.485 3.576 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000534520000 1034623669 /nfs/dbraw/zinc/62/36/69/1034623669.db2.gz OIGATIPJLJVTRQ-UHFFFAOYSA-N 1 2 331.372 3.880 20 0 EHADLO O=C(Nc1cccc2[nH]ccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534523234 1034628044 /nfs/dbraw/zinc/62/80/44/1034628044.db2.gz IYWXSFJFGAIUBB-UHFFFAOYSA-N 1 2 340.452 3.579 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC000450666742 1034666768 /nfs/dbraw/zinc/66/67/68/1034666768.db2.gz UKLZPZPJKDAJCV-ZDUSSCGKSA-N 1 2 334.441 3.569 20 0 EHADLO Cc1cncc(-c2nc(C[NH2+]C3(c4ccccc4)CCCC3)no2)c1 ZINC000450670110 1034667984 /nfs/dbraw/zinc/66/79/84/1034667984.db2.gz DRCSUIWMVUONQJ-UHFFFAOYSA-N 1 2 334.423 3.999 20 0 EHADLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450671735 1034672464 /nfs/dbraw/zinc/67/24/64/1034672464.db2.gz WRUPENFYVJDMFY-GFCCVEGCSA-N 1 2 327.350 3.695 20 0 EHADLO CCn1cc(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000605322442 1034694777 /nfs/dbraw/zinc/69/47/77/1034694777.db2.gz PFRIYRIGGWEZQM-UHFFFAOYSA-N 1 2 332.860 3.970 20 0 EHADLO C[N@H+](CCc1cccnc1)Cc1cc(Cl)cnc1Br ZINC001232961352 1034726096 /nfs/dbraw/zinc/72/60/96/1034726096.db2.gz IEHFNKAGAVLPNV-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[N@@H+](CCc1cccnc1)Cc1cc(Cl)cnc1Br ZINC001232961352 1034726108 /nfs/dbraw/zinc/72/61/08/1034726108.db2.gz IEHFNKAGAVLPNV-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO CC[C@H](C)[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000605392359 1034726765 /nfs/dbraw/zinc/72/67/65/1034726765.db2.gz BWSAEFVZILKZGM-LPHOPBHVSA-N 1 2 325.456 3.830 20 0 EHADLO CCc1cccc2c1N(C(=O)Cc1cn3cccc(C)c3[nH+]1)CCC2 ZINC000605466888 1034749470 /nfs/dbraw/zinc/74/94/70/1034749470.db2.gz RJMNGGWWLKAVQZ-UHFFFAOYSA-N 1 2 333.435 3.727 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000605499802 1034752530 /nfs/dbraw/zinc/75/25/30/1034752530.db2.gz TXISYSIRIKKPQZ-UHFFFAOYSA-N 1 2 346.471 3.509 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC(C(C)(C)C)CC3)n2c(C)c1C ZINC000172013591 1034773296 /nfs/dbraw/zinc/77/32/96/1034773296.db2.gz APPVVUMOHNEJCY-UHFFFAOYSA-N 1 2 347.532 3.901 20 0 EHADLO Cc1cccc(OCCCCC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456836700 1034781553 /nfs/dbraw/zinc/78/15/53/1034781553.db2.gz AXSJJPDKHRSKTH-UHFFFAOYSA-N 1 2 326.440 3.872 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c[nH+]1 ZINC000456865688 1034799481 /nfs/dbraw/zinc/79/94/81/1034799481.db2.gz UAQVYOCZYXXHMN-MRXNPFEDSA-N 1 2 326.440 3.906 20 0 EHADLO CCC1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC(F)(F)CC1 ZINC000612348131 1034824367 /nfs/dbraw/zinc/82/43/67/1034824367.db2.gz VAGOZIZNDBMQLU-LSDHHAIUSA-N 1 2 339.430 3.898 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccco4)C3)cc(=O)oc2c1C ZINC000121402605 1034934507 /nfs/dbraw/zinc/93/45/07/1034934507.db2.gz GKCZYGMTOCWMHW-GOSISDBHSA-N 1 2 339.391 3.576 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCO[C@@H](c4ccco4)C3)cc(=O)oc2c1C ZINC000121402605 1034934510 /nfs/dbraw/zinc/93/45/10/1034934510.db2.gz GKCZYGMTOCWMHW-GOSISDBHSA-N 1 2 339.391 3.576 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001168125648 1034938362 /nfs/dbraw/zinc/93/83/62/1034938362.db2.gz KWEFCEFDDVOQSX-CQSZACIVSA-N 1 2 333.350 3.749 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001168125648 1034938371 /nfs/dbraw/zinc/93/83/71/1034938371.db2.gz KWEFCEFDDVOQSX-CQSZACIVSA-N 1 2 333.350 3.749 20 0 EHADLO CSc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000375933992 1034950787 /nfs/dbraw/zinc/95/07/87/1034950787.db2.gz QKNMYLFHCSPQNH-ZDUSSCGKSA-N 1 2 330.457 3.554 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000375948375 1034991931 /nfs/dbraw/zinc/99/19/31/1034991931.db2.gz OHUYPIZPUROGMY-KRWDZBQOSA-N 1 2 335.407 3.700 20 0 EHADLO COC(=O)c1csc(C[N@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000451037450 1035037468 /nfs/dbraw/zinc/03/74/68/1035037468.db2.gz PFFYFDDTFLJOJS-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO COC(=O)c1csc(C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000451037450 1035037475 /nfs/dbraw/zinc/03/74/75/1035037475.db2.gz PFFYFDDTFLJOJS-UHFFFAOYSA-N 1 2 348.468 3.739 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1csc(N(C)c2ccccc2)n1 ZINC001625883862 1035092241 /nfs/dbraw/zinc/09/22/41/1035092241.db2.gz GAVSXOLSLGZDLA-UHFFFAOYSA-N 1 2 338.436 3.597 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000343827234 1035116306 /nfs/dbraw/zinc/11/63/06/1035116306.db2.gz AICWHAIDJCZWTM-CLTRCRFRSA-N 1 2 348.415 3.750 20 0 EHADLO Clc1sc(C[NH+]2CC([C@H]3CCOC3)C2)cc1Br ZINC000376020940 1035134154 /nfs/dbraw/zinc/13/41/54/1035134154.db2.gz IQQVGEBPZCZYHH-QMMMGPOBSA-N 1 2 336.682 3.632 20 0 EHADLO CCc1ccc2occ(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)c2c1 ZINC000376026012 1035142810 /nfs/dbraw/zinc/14/28/10/1035142810.db2.gz ZKZLMYBREHWVJB-UHFFFAOYSA-N 1 2 337.423 3.800 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2ccccc2SC(F)(F)F)nn1 ZINC000926693163 1035187218 /nfs/dbraw/zinc/18/72/18/1035187218.db2.gz DXIDUUMZVZOEOF-JTQLQIEISA-N 1 2 330.379 3.761 20 0 EHADLO C[C@@H](O)[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000668788901 1035265085 /nfs/dbraw/zinc/26/50/85/1035265085.db2.gz MLMVBFKSPCGCFT-BZNIZROVSA-N 1 2 338.220 3.800 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(Cl)c(Br)c1 ZINC001625884274 1035270461 /nfs/dbraw/zinc/27/04/61/1035270461.db2.gz NKUULDPAMWVXOO-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Fc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1 ZINC000024236113 1035304542 /nfs/dbraw/zinc/30/45/42/1035304542.db2.gz MFSQFZUYCYGGSN-UHFFFAOYSA-N 1 2 337.398 3.803 20 0 EHADLO CCC1(CC)CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636198877 1035337990 /nfs/dbraw/zinc/33/79/90/1035337990.db2.gz BPPZVXMWSZRTOG-ZDUSSCGKSA-N 1 2 331.382 3.805 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000613108870 1035403344 /nfs/dbraw/zinc/40/33/44/1035403344.db2.gz YDYODPJDSHUBPQ-WFASDCNBSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000613108870 1035403346 /nfs/dbraw/zinc/40/33/46/1035403346.db2.gz YDYODPJDSHUBPQ-WFASDCNBSA-N 1 2 338.835 3.716 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000613138788 1035417542 /nfs/dbraw/zinc/41/75/42/1035417542.db2.gz KZLHOMBXMZPEJT-QZTJIDSGSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000613138788 1035417543 /nfs/dbraw/zinc/41/75/43/1035417543.db2.gz KZLHOMBXMZPEJT-QZTJIDSGSA-N 1 2 348.437 3.797 20 0 EHADLO C[C@H]([NH2+]Cc1sccc1Br)c1cc2n(n1)CCC2 ZINC000414074396 1035448218 /nfs/dbraw/zinc/44/82/18/1035448218.db2.gz GPWUSWRHOCRWAA-VIFPVBQESA-N 1 2 326.263 3.504 20 0 EHADLO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cc2n(n1)CCC2 ZINC000414089353 1035471583 /nfs/dbraw/zinc/47/15/83/1035471583.db2.gz JZPIGFNWMCKHPC-YVEFUNNKSA-N 1 2 329.419 3.921 20 0 EHADLO CC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCOC1 ZINC000463444146 1035514914 /nfs/dbraw/zinc/51/49/14/1035514914.db2.gz QMXMWWYZFWSDQP-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO CC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCOC1 ZINC000463444146 1035514920 /nfs/dbraw/zinc/51/49/20/1035514920.db2.gz QMXMWWYZFWSDQP-INIZCTEOSA-N 1 2 336.888 3.998 20 0 EHADLO CC1(C)CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000456931497 1035557050 /nfs/dbraw/zinc/55/70/50/1035557050.db2.gz WCNQAZFVZIJICD-KRWDZBQOSA-N 1 2 325.456 3.878 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1cccc(Cl)c1Cl ZINC000532388246 1035577708 /nfs/dbraw/zinc/57/77/08/1035577708.db2.gz NTZZRERCDSVKRJ-UHFFFAOYSA-N 1 2 349.221 3.641 20 0 EHADLO C[C@@H]1C[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000669233113 1035617615 /nfs/dbraw/zinc/61/76/15/1035617615.db2.gz CMKFPWQIYFVANY-MYMUKEQESA-N 1 2 343.858 3.691 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@]12C[C@H]1CCC2 ZINC000935700267 1035645128 /nfs/dbraw/zinc/64/51/28/1035645128.db2.gz SPJJZFCDCCVMKE-QEEYODRMSA-N 1 2 327.472 3.621 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@]12C[C@H]1CCC2 ZINC000935700267 1035645138 /nfs/dbraw/zinc/64/51/38/1035645138.db2.gz SPJJZFCDCCVMKE-QEEYODRMSA-N 1 2 327.472 3.621 20 0 EHADLO COc1cccc(Cc2nnc(SCc3ccc(C)[nH+]c3C)o2)c1 ZINC000186605804 1035673163 /nfs/dbraw/zinc/67/31/63/1035673163.db2.gz MQDZLRZKRPTBCI-UHFFFAOYSA-N 1 2 341.436 3.973 20 0 EHADLO COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000463587436 1035674365 /nfs/dbraw/zinc/67/43/65/1035674365.db2.gz GDXSLNQAPWJZGG-CABCVRRESA-N 1 2 341.455 3.744 20 0 EHADLO COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000463587439 1035674633 /nfs/dbraw/zinc/67/46/33/1035674633.db2.gz GDXSLNQAPWJZGG-LSDHHAIUSA-N 1 2 341.455 3.744 20 0 EHADLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000186633376 1035674892 /nfs/dbraw/zinc/67/48/92/1035674892.db2.gz PRYRGMBWCLNYBT-KZULUSFZSA-N 1 2 328.366 3.534 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000540811135 1035702673 /nfs/dbraw/zinc/70/26/73/1035702673.db2.gz JDBATVLCHXBSIV-MJGOQNOKSA-N 1 2 340.471 3.641 20 0 EHADLO CCN(CC1CC[NH+](Cc2cscn2)CC1)C(=O)OC(C)(C)C ZINC000173926569 1035713303 /nfs/dbraw/zinc/71/33/03/1035713303.db2.gz WZVLHFURODOQPI-UHFFFAOYSA-N 1 2 339.505 3.612 20 0 EHADLO CCCc1nc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cs1 ZINC000186942380 1035728658 /nfs/dbraw/zinc/72/86/58/1035728658.db2.gz YWRYQOLJPBXAKX-UHFFFAOYSA-N 1 2 348.487 3.804 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(CSC)c2)s1 ZINC000414148007 1035758894 /nfs/dbraw/zinc/75/88/94/1035758894.db2.gz WOHQDINDEOYCNR-NSHDSACASA-N 1 2 336.482 3.644 20 0 EHADLO Cn1ccc2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)cc21 ZINC000173803298 1035762845 /nfs/dbraw/zinc/76/28/45/1035762845.db2.gz RIYNGDYKCWASJS-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(OC(F)F)c1 ZINC000571815274 1035764478 /nfs/dbraw/zinc/76/44/78/1035764478.db2.gz BXSOEDILNGPRSI-ZBFHGGJFSA-N 1 2 341.398 3.686 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(OC(F)F)c1 ZINC000571815274 1035764498 /nfs/dbraw/zinc/76/44/98/1035764498.db2.gz BXSOEDILNGPRSI-ZBFHGGJFSA-N 1 2 341.398 3.686 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(-c3cccc(F)c3)o2)c(C)[nH+]1 ZINC000187222392 1035773312 /nfs/dbraw/zinc/77/33/12/1035773312.db2.gz FVSGCUQNVDBCCT-DEOSSOPVSA-N 1 2 344.411 3.941 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173845911 1035787065 /nfs/dbraw/zinc/78/70/65/1035787065.db2.gz DYLCNWHPULPQMG-INIZCTEOSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173845911 1035787080 /nfs/dbraw/zinc/78/70/80/1035787080.db2.gz DYLCNWHPULPQMG-INIZCTEOSA-N 1 2 330.472 3.611 20 0 EHADLO Cc1ccc(CSc2nncn2CCc2cccs2)c(C)[nH+]1 ZINC000187332009 1035792578 /nfs/dbraw/zinc/79/25/78/1035792578.db2.gz DBBZFETWHKPFCR-UHFFFAOYSA-N 1 2 330.482 3.886 20 0 EHADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)n1 ZINC000187353049 1035796511 /nfs/dbraw/zinc/79/65/11/1035796511.db2.gz OTINPPUKJNZUTD-SFHVURJKSA-N 1 2 348.393 3.873 20 0 EHADLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)n1 ZINC000187353049 1035796529 /nfs/dbraw/zinc/79/65/29/1035796529.db2.gz OTINPPUKJNZUTD-SFHVURJKSA-N 1 2 348.393 3.873 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccco1 ZINC000187277548 1035803310 /nfs/dbraw/zinc/80/33/10/1035803310.db2.gz RDQVZPZIUBRNPJ-CYBMUJFWSA-N 1 2 340.217 3.528 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)s1 ZINC000414154549 1035805684 /nfs/dbraw/zinc/80/56/84/1035805684.db2.gz SFXIUMJYIWPFTD-GFCCVEGCSA-N 1 2 343.452 3.581 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc(O)c1 ZINC000187424056 1035821335 /nfs/dbraw/zinc/82/13/35/1035821335.db2.gz ZWLOFURTTDMUJV-JTQLQIEISA-N 1 2 346.228 3.882 20 0 EHADLO CC1(C)CC[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000540984838 1035878318 /nfs/dbraw/zinc/87/83/18/1035878318.db2.gz APWRJCLXFMVSDA-OAHLLOKOSA-N 1 2 327.428 3.727 20 0 EHADLO Cc1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c[nH+]1 ZINC000535036656 1035914699 /nfs/dbraw/zinc/91/46/99/1035914699.db2.gz XKQWBNUGKXBVON-UHFFFAOYSA-N 1 2 336.416 3.994 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000507866319 1035916525 /nfs/dbraw/zinc/91/65/25/1035916525.db2.gz XRUAUFGVCSDPFN-UHFFFAOYSA-N 1 2 332.394 3.771 20 0 EHADLO COc1ccc(OC2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000613457074 1035916975 /nfs/dbraw/zinc/91/69/75/1035916975.db2.gz RROCYWFQKPZNRI-CYBMUJFWSA-N 1 2 343.427 3.560 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000535060243 1035942224 /nfs/dbraw/zinc/94/22/24/1035942224.db2.gz BYDWCCXHVICVPK-UHFFFAOYSA-N 1 2 337.345 3.803 20 0 EHADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(OC[C@H]2CCCO2)c1 ZINC000535064316 1035948103 /nfs/dbraw/zinc/94/81/03/1035948103.db2.gz JOFSMAXMLINWGA-GOEBONIOSA-N 1 2 332.469 3.860 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000613464414 1035961753 /nfs/dbraw/zinc/96/17/53/1035961753.db2.gz QTBNWLBEGXHGBM-MDZRGWNJSA-N 1 2 332.463 4.000 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000613464414 1035961762 /nfs/dbraw/zinc/96/17/62/1035961762.db2.gz QTBNWLBEGXHGBM-MDZRGWNJSA-N 1 2 332.463 4.000 20 0 EHADLO O=C(CNc1cccc(Cl)c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000588779005 1036018076 /nfs/dbraw/zinc/01/80/76/1036018076.db2.gz SXBWVIKBINQDFM-UHFFFAOYSA-N 1 2 326.787 3.576 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000613484348 1036037006 /nfs/dbraw/zinc/03/70/06/1036037006.db2.gz ABRFDGKWPJCJJR-FRQCXROJSA-N 1 2 344.499 3.601 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000613484348 1036037027 /nfs/dbraw/zinc/03/70/27/1036037027.db2.gz ABRFDGKWPJCJJR-FRQCXROJSA-N 1 2 344.499 3.601 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535130905 1036056458 /nfs/dbraw/zinc/05/64/58/1036056458.db2.gz WRRUTVKIGSOYMX-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535130905 1036056473 /nfs/dbraw/zinc/05/64/73/1036056473.db2.gz WRRUTVKIGSOYMX-MSOLQXFVSA-N 1 2 346.833 3.963 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)Cc3ccsc3)CC2)s1 ZINC000541222002 1036099290 /nfs/dbraw/zinc/09/92/90/1036099290.db2.gz RBWRLRVAUKQXTC-CYBMUJFWSA-N 1 2 334.510 3.507 20 0 EHADLO CCN(CC)[C@@H](C[NH2+]Cc1nnc(C2CC2)s1)c1ccsc1 ZINC000892563348 1036109638 /nfs/dbraw/zinc/10/96/38/1036109638.db2.gz DBAWSIFNAKDNCF-AWEZNQCLSA-N 1 2 336.530 3.650 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCC3(C)C)cn2c1 ZINC000174963841 1036136536 /nfs/dbraw/zinc/13/65/36/1036136536.db2.gz KPQUEXFJLINCPP-HNNXBMFYSA-N 1 2 331.485 3.571 20 0 EHADLO CCC[NH+]1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000153378315 1036140879 /nfs/dbraw/zinc/14/08/79/1036140879.db2.gz DSWWNERHZVZNKF-FQEVSTJZSA-N 1 2 349.950 3.941 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH+]1 ZINC000588857752 1036145662 /nfs/dbraw/zinc/14/56/62/1036145662.db2.gz JNSYZHGZZQCSJT-QWHCGFSZSA-N 1 2 325.334 3.950 20 0 EHADLO O=C(/C=C/c1cccc(-c2ccccc2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492723719 1036231545 /nfs/dbraw/zinc/23/15/45/1036231545.db2.gz XQVBJFPCGURVSS-XTXLJPNXSA-N 1 2 343.430 3.695 20 0 EHADLO CSC1(C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000589172423 1036272197 /nfs/dbraw/zinc/27/21/97/1036272197.db2.gz MQPSSJSFUOMKKQ-UHFFFAOYSA-N 1 2 330.266 3.842 20 0 EHADLO CSC1(C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000589172423 1036272186 /nfs/dbraw/zinc/27/21/86/1036272186.db2.gz MQPSSJSFUOMKKQ-UHFFFAOYSA-N 1 2 330.266 3.842 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000589160475 1036288295 /nfs/dbraw/zinc/28/82/95/1036288295.db2.gz CRMUNVYFRXGVCM-SNVBAGLBSA-N 1 2 325.195 3.525 20 0 EHADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000414260889 1036319525 /nfs/dbraw/zinc/31/95/25/1036319525.db2.gz QUWVQBHTIDNNBF-NSHDSACASA-N 1 2 325.359 3.822 20 0 EHADLO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000190899415 1036320647 /nfs/dbraw/zinc/32/06/47/1036320647.db2.gz GGSJJEQAYGTFDW-XLIONFOSSA-N 1 2 325.456 3.663 20 0 EHADLO CC(=O)c1cc(NC(=O)C=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000492843601 1036341506 /nfs/dbraw/zinc/34/15/06/1036341506.db2.gz WGFAJOOWPDVOOC-RUDMXATFSA-N 1 2 349.365 3.866 20 0 EHADLO CC[C@H](C)C[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175360427 1036348821 /nfs/dbraw/zinc/34/88/21/1036348821.db2.gz AFJPAVPGIDDRNM-IRXDYDNUSA-N 1 2 342.487 3.598 20 0 EHADLO Clc1ccc([C@H]([NH2+]Cc2nc3ncccn3n2)C2CC2)cc1Cl ZINC000414267967 1036356430 /nfs/dbraw/zinc/35/64/30/1036356430.db2.gz NQQPNJBQVXIWOZ-OAHLLOKOSA-N 1 2 348.237 3.672 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571989 1036377951 /nfs/dbraw/zinc/37/79/51/1036377951.db2.gz UPXQXYHRKTXZGN-DNVCBOLYSA-N 1 2 329.444 3.680 20 0 EHADLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2noc(-c3ccccc3C)n2)C1(C)C ZINC000472571989 1036377969 /nfs/dbraw/zinc/37/79/69/1036377969.db2.gz UPXQXYHRKTXZGN-DNVCBOLYSA-N 1 2 329.444 3.680 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)C2CCC2)c(C)c1 ZINC000457675989 1036382883 /nfs/dbraw/zinc/38/28/83/1036382883.db2.gz XTCNZBRYYNREDO-QFBILLFUSA-N 1 2 325.456 3.794 20 0 EHADLO CC[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(OC)c1 ZINC000414271653 1036390192 /nfs/dbraw/zinc/39/01/92/1036390192.db2.gz ZUTQVFAXXITGPE-CYBMUJFWSA-N 1 2 325.334 3.745 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2COCc3ccccc32)nnn1-c1ccc(C)cc1 ZINC000572585723 1036390991 /nfs/dbraw/zinc/39/09/91/1036390991.db2.gz LWDAGWKRJRNPSW-MGPUTAFESA-N 1 2 348.450 3.806 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccc(OCC2CC2)c(F)c1 ZINC000925267254 1036415358 /nfs/dbraw/zinc/41/53/58/1036415358.db2.gz CPYYTZBIRMPDHR-NEPJUHHUSA-N 1 2 334.391 3.507 20 0 EHADLO CCc1nnc(C2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH]1 ZINC000191687740 1036432115 /nfs/dbraw/zinc/43/21/15/1036432115.db2.gz UBUJOZPVGZWMBI-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO CCc1n[nH]c(C2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000191687740 1036432131 /nfs/dbraw/zinc/43/21/31/1036432131.db2.gz UBUJOZPVGZWMBI-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO CCc1nc(C2CC[NH+](Cc3ccc(Br)cc3)CC2)n[nH]1 ZINC000191687740 1036432145 /nfs/dbraw/zinc/43/21/45/1036432145.db2.gz UBUJOZPVGZWMBI-UHFFFAOYSA-N 1 2 349.276 3.509 20 0 EHADLO CCOc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000056702106 1036434060 /nfs/dbraw/zinc/43/40/60/1036434060.db2.gz PEUZLSBRSAQYRU-INIZCTEOSA-N 1 2 348.422 3.657 20 0 EHADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000572716564 1036466291 /nfs/dbraw/zinc/46/62/91/1036466291.db2.gz YZODLNJNFDWJSI-ZDUSSCGKSA-N 1 2 328.309 3.922 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2[nH]c3ccc(C)cc3c2C)c1C ZINC000157103362 1036499811 /nfs/dbraw/zinc/49/98/11/1036499811.db2.gz SBZWCYCCWQPQDZ-UHFFFAOYSA-N 1 2 337.423 3.735 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)nn1C ZINC000414296294 1036510613 /nfs/dbraw/zinc/51/06/13/1036510613.db2.gz DUJZFAVKFTXCFA-UHFFFAOYSA-N 1 2 340.471 3.537 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000457815881 1036530876 /nfs/dbraw/zinc/53/08/76/1036530876.db2.gz MFNKGDGSQSYJSC-NSHDSACASA-N 1 2 341.789 3.823 20 0 EHADLO c1csc(-c2cc(C[N@@H+]3CCCN(c4nccs4)CC3)no2)c1 ZINC000064401930 1036531828 /nfs/dbraw/zinc/53/18/28/1036531828.db2.gz ZEWXCGBNJJHUIB-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO c1csc(-c2cc(C[N@H+]3CCCN(c4nccs4)CC3)no2)c1 ZINC000064401930 1036531837 /nfs/dbraw/zinc/53/18/37/1036531837.db2.gz ZEWXCGBNJJHUIB-UHFFFAOYSA-N 1 2 346.481 3.572 20 0 EHADLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000332908589 1036532449 /nfs/dbraw/zinc/53/24/49/1036532449.db2.gz VQRIZQYEVVKEOZ-IRXDYDNUSA-N 1 2 330.476 3.560 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572846618 1036533357 /nfs/dbraw/zinc/53/33/57/1036533357.db2.gz AQQWPJHEUSZRJQ-LSDHHAIUSA-N 1 2 339.443 3.642 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CCS1 ZINC000464584058 1036579610 /nfs/dbraw/zinc/57/96/10/1036579610.db2.gz HEAVPSAZYJMURO-CQSZACIVSA-N 1 2 348.512 3.824 20 0 EHADLO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CCS1 ZINC000464584058 1036579618 /nfs/dbraw/zinc/57/96/18/1036579618.db2.gz HEAVPSAZYJMURO-CQSZACIVSA-N 1 2 348.512 3.824 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457876930 1036600224 /nfs/dbraw/zinc/60/02/24/1036600224.db2.gz UPYAFMZYYOJAQV-CMVHYPBASA-N 1 2 331.504 3.712 20 0 EHADLO Clc1cccnc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000535551596 1036631415 /nfs/dbraw/zinc/63/14/15/1036631415.db2.gz ZUXHDUGCMYXHGI-UHFFFAOYSA-N 1 2 327.815 3.803 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249790604 1036655943 /nfs/dbraw/zinc/65/59/43/1036655943.db2.gz ULXDBWADCBSSST-HZMVEIRTSA-N 1 2 347.503 3.852 20 0 EHADLO C[N@H+](Cn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCCc2ccccc21 ZINC000057085824 1036682661 /nfs/dbraw/zinc/68/26/61/1036682661.db2.gz DEXGHJZVOAQRDN-OAQYLSRUSA-N 1 2 345.446 3.877 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCCc2ccccc21 ZINC000057085824 1036682669 /nfs/dbraw/zinc/68/26/69/1036682669.db2.gz DEXGHJZVOAQRDN-OAQYLSRUSA-N 1 2 345.446 3.877 20 0 EHADLO CC[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)s1 ZINC000302736216 1036697959 /nfs/dbraw/zinc/69/79/59/1036697959.db2.gz DOICUGRHBAYCJL-UHFFFAOYSA-N 1 2 334.872 3.813 20 0 EHADLO CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)s1 ZINC000302736216 1036697965 /nfs/dbraw/zinc/69/79/65/1036697965.db2.gz DOICUGRHBAYCJL-UHFFFAOYSA-N 1 2 334.872 3.813 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)c(N(C)C)[nH+]1 ZINC000782791392 1036702479 /nfs/dbraw/zinc/70/24/79/1036702479.db2.gz ZGDIBTYAWQFBES-LBPRGKRZSA-N 1 2 332.370 3.555 20 0 EHADLO Cc1nc(-c2ccc(C(=O)NCCCCn3cc[nH+]c3)s2)cs1 ZINC000631276056 1036755319 /nfs/dbraw/zinc/75/53/19/1036755319.db2.gz LXRNCCSVSUWONW-UHFFFAOYSA-N 1 2 346.481 3.587 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768849 1036756384 /nfs/dbraw/zinc/75/63/84/1036756384.db2.gz GQYSDSKYRGOMOX-JKSUJKDBSA-N 1 2 338.904 3.519 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768849 1036756403 /nfs/dbraw/zinc/75/64/03/1036756403.db2.gz GQYSDSKYRGOMOX-JKSUJKDBSA-N 1 2 338.904 3.519 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001168182964 1036788275 /nfs/dbraw/zinc/78/82/75/1036788275.db2.gz LTHAGOPGEZOUCU-SWHYSGLUSA-N 1 2 339.760 3.608 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001168182964 1036788280 /nfs/dbraw/zinc/78/82/80/1036788280.db2.gz LTHAGOPGEZOUCU-SWHYSGLUSA-N 1 2 339.760 3.608 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CCS1 ZINC000464792273 1036806200 /nfs/dbraw/zinc/80/62/00/1036806200.db2.gz WPNDHIDYEPRWOG-NSHDSACASA-N 1 2 344.274 3.505 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CCS1 ZINC000464792273 1036806219 /nfs/dbraw/zinc/80/62/19/1036806219.db2.gz WPNDHIDYEPRWOG-NSHDSACASA-N 1 2 344.274 3.505 20 0 EHADLO CCn1cc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)nn1 ZINC000404504667 1036816973 /nfs/dbraw/zinc/81/69/73/1036816973.db2.gz KRJPWTWXBZFINZ-JTQLQIEISA-N 1 2 349.232 3.658 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3CC(=O)c3ccccc3)ccn12 ZINC000572972921 1036910925 /nfs/dbraw/zinc/91/09/25/1036910925.db2.gz HJTKFSBETUMXBR-SFHVURJKSA-N 1 2 347.418 3.520 20 0 EHADLO Cc1[nH]c(CNc2ccc3c(c2)N(CC(F)F)CCS3)[nH+]c1C ZINC000572986155 1036916723 /nfs/dbraw/zinc/91/67/23/1036916723.db2.gz AAMZWYWBIPWJPD-UHFFFAOYSA-N 1 2 338.427 3.816 20 0 EHADLO CC(C)(NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(Cl)c1 ZINC000177760404 1036928933 /nfs/dbraw/zinc/92/89/33/1036928933.db2.gz YAFNCRRBVCUVAE-UHFFFAOYSA-N 1 2 342.830 3.722 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1CCc1ccccc1 ZINC000177763641 1036929689 /nfs/dbraw/zinc/92/96/89/1036929689.db2.gz FYAMLRLHAKECRJ-IBGZPJMESA-N 1 2 348.450 3.641 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)c(Br)c1 ZINC000177882223 1036959734 /nfs/dbraw/zinc/95/97/34/1036959734.db2.gz DDCDOSAEROBXOB-AVGNSLFASA-N 1 2 339.277 3.815 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H]2C)c(Br)c1 ZINC000177882223 1036959712 /nfs/dbraw/zinc/95/97/12/1036959712.db2.gz DDCDOSAEROBXOB-AVGNSLFASA-N 1 2 339.277 3.815 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OC(F)F)nn1C ZINC000282103488 1036960936 /nfs/dbraw/zinc/96/09/36/1036960936.db2.gz IRWMHLZWMCYMIX-SNVBAGLBSA-N 1 2 329.778 3.834 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(SC)cc3)CCO2)c1 ZINC000177901081 1036963641 /nfs/dbraw/zinc/96/36/41/1036963641.db2.gz XFJVWQTVNRPUSW-IBGZPJMESA-N 1 2 329.465 3.991 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(SC)cc3)CCO2)c1 ZINC000177901081 1036963652 /nfs/dbraw/zinc/96/36/52/1036963652.db2.gz XFJVWQTVNRPUSW-IBGZPJMESA-N 1 2 329.465 3.991 20 0 EHADLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)c1 ZINC000177919370 1036966510 /nfs/dbraw/zinc/96/65/10/1036966510.db2.gz PJWYSVPGMXGUOM-INIZCTEOSA-N 1 2 341.455 3.712 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1nc(C)cs1 ZINC000162599804 1036971308 /nfs/dbraw/zinc/97/13/08/1036971308.db2.gz UMZBDOVAVGELAE-QGZVFWFLSA-N 1 2 347.488 3.668 20 0 EHADLO CCC1(CC)[C@H]([NH2+]c2ccc(N3CCOCC3)cc2C)C[C@H]1OC ZINC000539609640 1036975099 /nfs/dbraw/zinc/97/50/99/1036975099.db2.gz XPIVUPHIXBGOOR-RTBURBONSA-N 1 2 332.488 3.837 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@](=O)C1 ZINC000590652455 1036993149 /nfs/dbraw/zinc/99/31/49/1036993149.db2.gz AYINPRAQLNFQAL-IZHWHUGBSA-N 1 2 347.455 3.818 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC[S@@](=O)C1 ZINC000590652455 1036993152 /nfs/dbraw/zinc/99/31/52/1036993152.db2.gz AYINPRAQLNFQAL-IZHWHUGBSA-N 1 2 347.455 3.818 20 0 EHADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590725168 1037004937 /nfs/dbraw/zinc/00/49/37/1037004937.db2.gz FJHVWSIKTXJLQQ-IBGZPJMESA-N 1 2 340.471 3.597 20 0 EHADLO Cc1ccc(Br)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000666427766 1037012373 /nfs/dbraw/zinc/01/23/73/1037012373.db2.gz DVESOEJKUXJLNS-UHFFFAOYSA-N 1 2 337.286 3.993 20 0 EHADLO O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590731259 1037032543 /nfs/dbraw/zinc/03/25/43/1037032543.db2.gz KVZNQYIYDHUVAJ-OAQYLSRUSA-N 1 2 345.446 3.956 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000178513844 1037057244 /nfs/dbraw/zinc/05/72/44/1037057244.db2.gz IYJBJEIHRGNRIX-CQSZACIVSA-N 1 2 336.501 3.964 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000178513844 1037057252 /nfs/dbraw/zinc/05/72/52/1037057252.db2.gz IYJBJEIHRGNRIX-CQSZACIVSA-N 1 2 336.501 3.964 20 0 EHADLO CC[C@@H](C)CN(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000178530456 1037058062 /nfs/dbraw/zinc/05/80/62/1037058062.db2.gz WPBSLJVNFXKWGB-MRXNPFEDSA-N 1 2 328.460 3.509 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=S)N[C@H]1CCCC[C@@H]1C ZINC000761507998 1037079400 /nfs/dbraw/zinc/07/94/00/1037079400.db2.gz PVEGPUBSHSVEKV-HOTGVXAUSA-N 1 2 336.549 3.611 20 0 EHADLO CC1(C)CCC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542122170 1037083868 /nfs/dbraw/zinc/08/38/68/1037083868.db2.gz BEYBFMFLUCQVKT-KRWDZBQOSA-N 1 2 332.492 3.664 20 0 EHADLO CCC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000590871151 1037108034 /nfs/dbraw/zinc/10/80/34/1037108034.db2.gz RFEAEVJFPDWGRK-ROUUACIJSA-N 1 2 332.492 3.979 20 0 EHADLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414375057 1037108673 /nfs/dbraw/zinc/10/86/73/1037108673.db2.gz WMVLJJOHAADECU-UHFFFAOYSA-N 1 2 337.510 3.810 20 0 EHADLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414375057 1037108683 /nfs/dbraw/zinc/10/86/83/1037108683.db2.gz WMVLJJOHAADECU-UHFFFAOYSA-N 1 2 337.510 3.810 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000666508721 1037160307 /nfs/dbraw/zinc/16/03/07/1037160307.db2.gz QYOVPDJNCPXEGU-LMMKCTJWSA-N 1 2 341.430 3.710 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(N(C)C)cc3)no2)c1 ZINC000573042680 1037169304 /nfs/dbraw/zinc/16/93/04/1037169304.db2.gz CGCJVUWUZAPHCA-UHFFFAOYSA-N 1 2 345.406 3.964 20 0 EHADLO Cc1csc([C@H]2CCCC[N@@H+]2Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000539816560 1037232920 /nfs/dbraw/zinc/23/29/20/1037232920.db2.gz ZPAHBPYFJAVJQZ-OAHLLOKOSA-N 1 2 327.457 3.758 20 0 EHADLO Cc1csc([C@H]2CCCC[N@H+]2Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000539816560 1037232935 /nfs/dbraw/zinc/23/29/35/1037232935.db2.gz ZPAHBPYFJAVJQZ-OAHLLOKOSA-N 1 2 327.457 3.758 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000591142020 1037248443 /nfs/dbraw/zinc/24/84/43/1037248443.db2.gz CFEKJTPNDYCOLZ-UHFFFAOYSA-N 1 2 327.403 3.508 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC001167706119 1037275876 /nfs/dbraw/zinc/27/58/76/1037275876.db2.gz QMLZXZBGRHHODH-GOSISDBHSA-N 1 2 347.890 3.860 20 0 EHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC001167706119 1037275891 /nfs/dbraw/zinc/27/58/91/1037275891.db2.gz QMLZXZBGRHHODH-GOSISDBHSA-N 1 2 347.890 3.860 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136200 1037290860 /nfs/dbraw/zinc/29/08/60/1037290860.db2.gz REHRTCXGQCWXEW-AEFFLSMTSA-N 1 2 339.483 3.803 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136200 1037290877 /nfs/dbraw/zinc/29/08/77/1037290877.db2.gz REHRTCXGQCWXEW-AEFFLSMTSA-N 1 2 339.483 3.803 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000573136002 1037295398 /nfs/dbraw/zinc/29/53/98/1037295398.db2.gz MOYSAZFFPNMPOZ-MAUKXSAKSA-N 1 2 325.456 3.557 20 0 EHADLO CCc1ccc([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000573136002 1037295413 /nfs/dbraw/zinc/29/54/13/1037295413.db2.gz MOYSAZFFPNMPOZ-MAUKXSAKSA-N 1 2 325.456 3.557 20 0 EHADLO CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccnc1 ZINC000115472794 1037364068 /nfs/dbraw/zinc/36/40/68/1037364068.db2.gz HRNVSFKRLLFIJR-YRYLYKBFSA-N 1 2 346.434 3.890 20 0 EHADLO Cc1ccnc(-c2noc(CSCc3ccc(C)[nH+]c3C)n2)c1 ZINC000591389826 1037366269 /nfs/dbraw/zinc/36/62/69/1037366269.db2.gz YWFDEWNTAWHJFQ-UHFFFAOYSA-N 1 2 326.425 3.885 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303438319 1037408513 /nfs/dbraw/zinc/40/85/13/1037408513.db2.gz AGUHVYFZIQYSFD-KPZWWZAWSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303438319 1037408520 /nfs/dbraw/zinc/40/85/20/1037408520.db2.gz AGUHVYFZIQYSFD-KPZWWZAWSA-N 1 2 348.368 3.902 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000491387975 1037424790 /nfs/dbraw/zinc/42/47/90/1037424790.db2.gz RQLQKLNLFKXADQ-TWPIFRAZSA-N 1 2 325.412 3.546 20 0 EHADLO O=C(N[C@@H]1CC12CCCCC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000539992476 1037431088 /nfs/dbraw/zinc/43/10/88/1037431088.db2.gz GQBXYMZFUOOIIL-MSOLQXFVSA-N 1 2 344.524 3.616 20 0 EHADLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000493509059 1037437625 /nfs/dbraw/zinc/43/76/25/1037437625.db2.gz ACTPRQHZPCYOEV-ZFWWWQNUSA-N 1 2 348.491 3.648 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000493577615 1037468990 /nfs/dbraw/zinc/46/89/90/1037468990.db2.gz DXNMIWUFTCMUSF-VURMDHGXSA-N 1 2 338.798 3.632 20 0 EHADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000152654086 1037492365 /nfs/dbraw/zinc/49/23/65/1037492365.db2.gz QUBVUZRVZIKNMS-VXGBXAGGSA-N 1 2 329.366 3.763 20 0 EHADLO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491479298 1037497821 /nfs/dbraw/zinc/49/78/21/1037497821.db2.gz QKBFUNQVOWDKFW-LMVHVUTASA-N 1 2 349.356 3.848 20 0 EHADLO CNc1ccc(Nc2c(Cl)ncc(Br)c2C)c[nH+]1 ZINC001203449824 1037618127 /nfs/dbraw/zinc/61/81/27/1037618127.db2.gz MBYAURIHBIOPAN-UHFFFAOYSA-N 1 2 327.613 3.986 20 0 EHADLO COc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1OC ZINC000505898039 1037622749 /nfs/dbraw/zinc/62/27/49/1037622749.db2.gz KHMLLBXLODPHSO-UHFFFAOYSA-N 1 2 346.858 3.679 20 0 EHADLO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493802795 1037642340 /nfs/dbraw/zinc/64/23/40/1037642340.db2.gz LGLRAHYJGYCTLX-PBKGFPTLSA-N 1 2 336.222 3.876 20 0 EHADLO CC(C)[C@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1cccnc1 ZINC000913710806 1037651811 /nfs/dbraw/zinc/65/18/11/1037651811.db2.gz DTMSZOSLKWOLII-FQEVSTJZSA-N 1 2 348.450 3.501 20 0 EHADLO CC(C)c1ncsc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711665 1037655142 /nfs/dbraw/zinc/65/51/42/1037655142.db2.gz CIZGOEUCFRYMLP-UHFFFAOYSA-N 1 2 340.452 3.560 20 0 EHADLO CCS[C@@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576420 1037683433 /nfs/dbraw/zinc/68/34/33/1037683433.db2.gz DVGGUOPLLTYVCL-CZUORRHYSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccccc2F)C1 ZINC000532576420 1037683438 /nfs/dbraw/zinc/68/34/38/1037683438.db2.gz DVGGUOPLLTYVCL-CZUORRHYSA-N 1 2 325.449 3.647 20 0 EHADLO CCCc1cc(N[C@H](CCSC)C(C)(C)O)nc(CCC)[nH+]1 ZINC001168214030 1037686294 /nfs/dbraw/zinc/68/62/94/1037686294.db2.gz LFVQPLJCELWBBE-CQSZACIVSA-N 1 2 325.522 3.686 20 0 EHADLO Cc1ccc(Br)cc1-c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000573687844 1037746033 /nfs/dbraw/zinc/74/60/33/1037746033.db2.gz DNMJZGXVVAWILF-LLVKDONJSA-N 1 2 347.216 3.808 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030608412 1037754675 /nfs/dbraw/zinc/75/46/75/1037754675.db2.gz MPGUBWVCECKAMU-UHFFFAOYSA-N 1 2 333.391 3.782 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000651257539 1037809211 /nfs/dbraw/zinc/80/92/11/1037809211.db2.gz JCPPBBUTESBGLH-FHLIZLRMSA-N 1 2 344.434 3.766 20 0 EHADLO CCOC(=O)c1nc(C[NH2+]C2(c3ccc(C)cc3)CCC2)cs1 ZINC000592188426 1037854003 /nfs/dbraw/zinc/85/40/03/1037854003.db2.gz PFRVQJBMJIHPDV-UHFFFAOYSA-N 1 2 330.453 3.797 20 0 EHADLO CCS[C@@H]1CCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117662772 1037858481 /nfs/dbraw/zinc/85/84/81/1037858481.db2.gz WJVHTAYAGQNZIM-QGZVFWFLSA-N 1 2 329.469 3.620 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccncc2Br)c(C)[nH+]1 ZINC000913807722 1037922089 /nfs/dbraw/zinc/92/20/89/1037922089.db2.gz RTPXMVVLAUVPQS-LLVKDONJSA-N 1 2 348.244 3.655 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)oc1C ZINC000532618302 1037932054 /nfs/dbraw/zinc/93/20/54/1037932054.db2.gz OILCBVVGZDSAFM-AWEZNQCLSA-N 1 2 328.412 3.542 20 0 EHADLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)oc1C ZINC000532618303 1037933082 /nfs/dbraw/zinc/93/30/82/1037933082.db2.gz OILCBVVGZDSAFM-CQSZACIVSA-N 1 2 328.412 3.542 20 0 EHADLO O=C(c1cscc1C(F)F)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000913817536 1037971054 /nfs/dbraw/zinc/97/10/54/1037971054.db2.gz UGGNJAPFKMHZME-AWEZNQCLSA-N 1 2 340.370 3.612 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183929452 1037984874 /nfs/dbraw/zinc/98/48/74/1037984874.db2.gz OOVWANOEEAAGCV-UHFFFAOYSA-N 1 2 336.426 3.849 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)CC2 ZINC000592505847 1038011771 /nfs/dbraw/zinc/01/17/71/1038011771.db2.gz KEROZDHIKUYKIU-IBGZPJMESA-N 1 2 346.434 3.667 20 0 EHADLO Cc1oc2ccccc2c1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000184189914 1038014416 /nfs/dbraw/zinc/01/44/16/1038014416.db2.gz DRQPSUZJIDNMJH-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CCO1 ZINC000646146367 1038058522 /nfs/dbraw/zinc/05/85/22/1038058522.db2.gz WCGCHSHOZJAWSA-WWGRRREGSA-N 1 2 327.827 3.668 20 0 EHADLO C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CCO1 ZINC000646146367 1038058543 /nfs/dbraw/zinc/05/85/43/1038058543.db2.gz WCGCHSHOZJAWSA-WWGRRREGSA-N 1 2 327.827 3.668 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000158302291 1038066536 /nfs/dbraw/zinc/06/65/36/1038066536.db2.gz IDKVXHBIGAJGMY-HNNXBMFYSA-N 1 2 327.428 3.751 20 0 EHADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000158302291 1038066555 /nfs/dbraw/zinc/06/65/55/1038066555.db2.gz IDKVXHBIGAJGMY-HNNXBMFYSA-N 1 2 327.428 3.751 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1nc(C2CC2)no1 ZINC000540589726 1038116722 /nfs/dbraw/zinc/11/67/22/1038116722.db2.gz HVQKFWAWNVVNEQ-CQSZACIVSA-N 1 2 349.818 3.816 20 0 EHADLO C[N@@H+]1CC[C@@H](Nc2nnc(C(F)F)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000278823562 1038129119 /nfs/dbraw/zinc/12/91/19/1038129119.db2.gz UEOGHQKHCWANHM-MNOVXSKESA-N 1 2 346.353 3.611 20 0 EHADLO C[N@H+]1CC[C@@H](Nc2nnc(C(F)F)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000278823562 1038129133 /nfs/dbraw/zinc/12/91/33/1038129133.db2.gz UEOGHQKHCWANHM-MNOVXSKESA-N 1 2 346.353 3.611 20 0 EHADLO CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000125280216 1038299791 /nfs/dbraw/zinc/29/97/91/1038299791.db2.gz MFTHIWRGRPREPR-IAGOWNOFSA-N 1 2 345.487 3.560 20 0 EHADLO COc1c(C)c[nH+]c(CSCc2ccc3c(c2)OCCO3)c1C ZINC000538525072 1038345761 /nfs/dbraw/zinc/34/57/61/1038345761.db2.gz QWLNHPWPQHQZIY-UHFFFAOYSA-N 1 2 331.437 3.912 20 0 EHADLO O=C(CCCn1cccc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378276238 1038366375 /nfs/dbraw/zinc/36/63/75/1038366375.db2.gz XAELMVGNIZYAAC-UHFFFAOYSA-N 1 2 346.434 3.822 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000667105931 1038380585 /nfs/dbraw/zinc/38/05/85/1038380585.db2.gz GWOPYWGUGPHVNE-UTKZUKDTSA-N 1 2 345.446 3.962 20 0 EHADLO CCOCC[N@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000181489416 1038426262 /nfs/dbraw/zinc/42/62/62/1038426262.db2.gz RJMJZEOOLNBMRB-UHFFFAOYSA-N 1 2 339.842 3.501 20 0 EHADLO CCOCC[N@@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000181489416 1038426270 /nfs/dbraw/zinc/42/62/70/1038426270.db2.gz RJMJZEOOLNBMRB-UHFFFAOYSA-N 1 2 339.842 3.501 20 0 EHADLO Cc1cc(C)c(NC(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(C)[nH+]1 ZINC000667118391 1038440652 /nfs/dbraw/zinc/44/06/52/1038440652.db2.gz PSXSGUAHCBRPLN-WCQYABFASA-N 1 2 345.365 3.580 20 0 EHADLO CC(C)(C)c1ccc(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000538690219 1038468563 /nfs/dbraw/zinc/46/85/63/1038468563.db2.gz RXJPXCASNRQECV-UHFFFAOYSA-N 1 2 348.450 3.537 20 0 EHADLO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538706554 1038481661 /nfs/dbraw/zinc/48/16/61/1038481661.db2.gz KZPCDZNBZORULD-UHFFFAOYSA-N 1 2 348.450 3.837 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000538720128 1038489119 /nfs/dbraw/zinc/48/91/19/1038489119.db2.gz ILZCSPIWFASIJD-LBPRGKRZSA-N 1 2 337.876 3.655 20 0 EHADLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000538720128 1038489122 /nfs/dbraw/zinc/48/91/22/1038489122.db2.gz ILZCSPIWFASIJD-LBPRGKRZSA-N 1 2 337.876 3.655 20 0 EHADLO C[C@@H]1OCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H]1C ZINC000538727967 1038496233 /nfs/dbraw/zinc/49/62/33/1038496233.db2.gz LOKWDYPAJKSPIW-QWRGUYRKSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@@H]1OCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)[C@H]1C ZINC000538727967 1038496240 /nfs/dbraw/zinc/49/62/40/1038496240.db2.gz LOKWDYPAJKSPIW-QWRGUYRKSA-N 1 2 328.239 3.878 20 0 EHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728745587 1038500723 /nfs/dbraw/zinc/50/07/23/1038500723.db2.gz FGYVVHJYMIBFDV-ZBFHGGJFSA-N 1 2 346.862 3.514 20 0 EHADLO Cc1nsc(N2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)n1 ZINC000538737106 1038502811 /nfs/dbraw/zinc/50/28/11/1038502811.db2.gz DPSJANIRHPHYRW-UHFFFAOYSA-N 1 2 336.530 3.528 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cc(C)nc(C)n3)[C@H](C)CO2)c1 ZINC000659957441 1038507376 /nfs/dbraw/zinc/50/73/76/1038507376.db2.gz SCWQGUMMGPVKHU-OXQOHEQNSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cc(C)nc(C)n3)[C@H](C)CO2)c1 ZINC000659957441 1038507377 /nfs/dbraw/zinc/50/73/77/1038507377.db2.gz SCWQGUMMGPVKHU-OXQOHEQNSA-N 1 2 325.456 3.672 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000378392666 1038577598 /nfs/dbraw/zinc/57/75/98/1038577598.db2.gz ZMAOIIBZOSFHFQ-FQEVSTJZSA-N 1 2 335.451 3.764 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000378392666 1038577600 /nfs/dbraw/zinc/57/76/00/1038577600.db2.gz ZMAOIIBZOSFHFQ-FQEVSTJZSA-N 1 2 335.451 3.764 20 0 EHADLO O=C(Nc1cccc(-c2cnco2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000363842253 1038669237 /nfs/dbraw/zinc/66/92/37/1038669237.db2.gz FIYYBURFAHCCRS-UHFFFAOYSA-N 1 2 344.374 3.839 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539095175 1038681004 /nfs/dbraw/zinc/68/10/04/1038681004.db2.gz NNLMEKLJZALVQG-CVEARBPZSA-N 1 2 341.858 3.570 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539095175 1038681009 /nfs/dbraw/zinc/68/10/09/1038681009.db2.gz NNLMEKLJZALVQG-CVEARBPZSA-N 1 2 341.858 3.570 20 0 EHADLO Cc1nc(C2(NC(=O)Nc3c(C)cc(C)[nH+]c3C)CCCCC2)no1 ZINC000584573296 1038768822 /nfs/dbraw/zinc/76/88/22/1038768822.db2.gz BBQUVEFGWQABAI-UHFFFAOYSA-N 1 2 343.431 3.679 20 0 EHADLO COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000905325488 1038800812 /nfs/dbraw/zinc/80/08/12/1038800812.db2.gz QSRACRIRSTYNEY-CYBMUJFWSA-N 1 2 328.412 3.515 20 0 EHADLO Brc1sccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000337875966 1038804494 /nfs/dbraw/zinc/80/44/94/1038804494.db2.gz UNBWBOSWLMFDNL-UHFFFAOYSA-N 1 2 326.215 3.529 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651539 1038829996 /nfs/dbraw/zinc/82/99/96/1038829996.db2.gz YPBDGHHMDRJIKP-YVEFUNNKSA-N 1 2 345.468 3.693 20 0 EHADLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651539 1038830026 /nfs/dbraw/zinc/83/00/26/1038830026.db2.gz YPBDGHHMDRJIKP-YVEFUNNKSA-N 1 2 345.468 3.693 20 0 EHADLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905382090 1038836815 /nfs/dbraw/zinc/83/68/15/1038836815.db2.gz QDKZJCWMVDVZQG-MJGOQNOKSA-N 1 2 349.421 3.551 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](COC)c2cccc(Cl)c2F)c1C ZINC000554072806 1038855417 /nfs/dbraw/zinc/85/54/17/1038855417.db2.gz UCLDTQUTBNOLKW-INIZCTEOSA-N 1 2 339.842 3.790 20 0 EHADLO COc1ccc2oc(C[N@@H+]3C[C@@H](C)O[C@](C)(C(F)F)C3)cc2c1 ZINC000668821762 1038860694 /nfs/dbraw/zinc/86/06/94/1038860694.db2.gz KSZIMTVOQQEPIA-DIFFPNOSSA-N 1 2 325.355 3.686 20 0 EHADLO COc1ccc2oc(C[N@H+]3C[C@@H](C)O[C@](C)(C(F)F)C3)cc2c1 ZINC000668821762 1038860720 /nfs/dbraw/zinc/86/07/20/1038860720.db2.gz KSZIMTVOQQEPIA-DIFFPNOSSA-N 1 2 325.355 3.686 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1c(F)cccc1Cl ZINC000539376921 1038865755 /nfs/dbraw/zinc/86/57/55/1038865755.db2.gz NSPMXSPRNAEMRK-GFCCVEGCSA-N 1 2 326.843 3.969 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1cc(C)cnc1Cl ZINC000905410764 1038867772 /nfs/dbraw/zinc/86/77/72/1038867772.db2.gz AUIITVJPSUSFOT-UHFFFAOYSA-N 1 2 330.819 3.652 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000668825675 1038880216 /nfs/dbraw/zinc/88/02/16/1038880216.db2.gz WUOILLMFOGGCQL-UGSOOPFHSA-N 1 2 335.398 3.630 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000668825675 1038880239 /nfs/dbraw/zinc/88/02/39/1038880239.db2.gz WUOILLMFOGGCQL-UGSOOPFHSA-N 1 2 335.398 3.630 20 0 EHADLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000905448730 1038884582 /nfs/dbraw/zinc/88/45/82/1038884582.db2.gz CFCCTVVRFQYPRJ-UHFFFAOYSA-N 1 2 342.439 3.686 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000668824187 1038893662 /nfs/dbraw/zinc/89/36/62/1038893662.db2.gz OPXHIVMJZFXBFJ-BFUOFWGJSA-N 1 2 349.425 3.734 20 0 EHADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000668824187 1038893680 /nfs/dbraw/zinc/89/36/80/1038893680.db2.gz OPXHIVMJZFXBFJ-BFUOFWGJSA-N 1 2 349.425 3.734 20 0 EHADLO Fc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1F ZINC000554114519 1038919034 /nfs/dbraw/zinc/91/90/34/1038919034.db2.gz JTRBBDZWHWLPTH-UHFFFAOYSA-N 1 2 338.317 3.927 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931690 1038998069 /nfs/dbraw/zinc/99/80/69/1038998069.db2.gz DJLBRAUMBRJYLJ-TYILLQQXSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc3ccccc3nc1Cl)C[C@@H](C)O2 ZINC000363931690 1038998082 /nfs/dbraw/zinc/99/80/82/1038998082.db2.gz DJLBRAUMBRJYLJ-TYILLQQXSA-N 1 2 346.858 3.657 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1F ZINC000651405682 1039000707 /nfs/dbraw/zinc/00/07/07/1039000707.db2.gz VYPZITDZDMOEOB-PBHICJAKSA-N 1 2 344.434 3.530 20 0 EHADLO CC[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1F ZINC000651405682 1039000727 /nfs/dbraw/zinc/00/07/27/1039000727.db2.gz VYPZITDZDMOEOB-PBHICJAKSA-N 1 2 344.434 3.530 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccccc1F ZINC000760624017 1039002598 /nfs/dbraw/zinc/00/25/98/1039002598.db2.gz VFCVZCCZODEUIU-KHPPLWFESA-N 1 2 329.419 3.537 20 0 EHADLO Fc1ccc2nc(CN3CC[NH+](Cc4cccs4)CC3)sc2c1 ZINC000432752343 1039032033 /nfs/dbraw/zinc/03/20/33/1039032033.db2.gz LAMLLORKOWEGDL-UHFFFAOYSA-N 1 2 347.484 3.815 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554191212 1039038877 /nfs/dbraw/zinc/03/88/77/1039038877.db2.gz FARUQUUEGBINNL-VXGBXAGGSA-N 1 2 328.334 3.932 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554191212 1039038896 /nfs/dbraw/zinc/03/88/96/1039038896.db2.gz FARUQUUEGBINNL-VXGBXAGGSA-N 1 2 328.334 3.932 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(C2CCCCC2)CC1 ZINC000905722436 1039057345 /nfs/dbraw/zinc/05/73/45/1039057345.db2.gz YJSUGQBMRLIKKG-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000185296808 1039067055 /nfs/dbraw/zinc/06/70/55/1039067055.db2.gz IPTNHISEAAVNKY-GOSISDBHSA-N 1 2 344.503 3.936 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccn1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000905745462 1039079838 /nfs/dbraw/zinc/07/98/38/1039079838.db2.gz OUQNRZPNEXZICJ-OAHLLOKOSA-N 1 2 345.512 3.545 20 0 EHADLO CC(C)C[N@H+](Cc1ccccn1)Cn1c(=O)sc2c1CC[C@@H](C)C2 ZINC000905745462 1039079848 /nfs/dbraw/zinc/07/98/48/1039079848.db2.gz OUQNRZPNEXZICJ-OAHLLOKOSA-N 1 2 345.512 3.545 20 0 EHADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601318266 1039099125 /nfs/dbraw/zinc/09/91/25/1039099125.db2.gz LVSKKZOICYIUTJ-GUYCJALGSA-N 1 2 349.377 3.739 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898470176 1039100295 /nfs/dbraw/zinc/10/02/95/1039100295.db2.gz HJZNCMNYZPFVCS-MRPPWBEGSA-N 1 2 330.369 3.796 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C/c2cccc(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898470176 1039100303 /nfs/dbraw/zinc/10/03/03/1039100303.db2.gz HJZNCMNYZPFVCS-MRPPWBEGSA-N 1 2 330.369 3.796 20 0 EHADLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000667275228 1039119197 /nfs/dbraw/zinc/11/91/97/1039119197.db2.gz DTQGRMGMPUFODX-IBGZPJMESA-N 1 2 338.455 3.616 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H](C)C1 ZINC000543972818 1039124797 /nfs/dbraw/zinc/12/47/97/1039124797.db2.gz BRAPFLIWKCWPIA-AOIWGVFYSA-N 1 2 346.519 3.910 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2CCc3cccc(C)c3C2)[nH]c(C)c1C(C)=O ZINC000429577080 1039137682 /nfs/dbraw/zinc/13/76/82/1039137682.db2.gz OEFVCALXHGMHNM-UHFFFAOYSA-N 1 2 338.451 3.638 20 0 EHADLO CCc1c(C(=O)C[N@H+]2CCc3cccc(C)c3C2)[nH]c(C)c1C(C)=O ZINC000429577080 1039137690 /nfs/dbraw/zinc/13/76/90/1039137690.db2.gz OEFVCALXHGMHNM-UHFFFAOYSA-N 1 2 338.451 3.638 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c(=O)c1 ZINC000663831883 1039162799 /nfs/dbraw/zinc/16/27/99/1039162799.db2.gz WMFDMVKLHOJNJJ-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)c(=O)c1 ZINC000663831883 1039162805 /nfs/dbraw/zinc/16/28/05/1039162805.db2.gz WMFDMVKLHOJNJJ-UHFFFAOYSA-N 1 2 327.399 3.573 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)o1 ZINC000061760842 1039171246 /nfs/dbraw/zinc/17/12/46/1039171246.db2.gz YUVAJSZBGIKCIO-LJQANCHMSA-N 1 2 326.440 3.556 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)o1 ZINC000061760842 1039171257 /nfs/dbraw/zinc/17/12/57/1039171257.db2.gz YUVAJSZBGIKCIO-LJQANCHMSA-N 1 2 326.440 3.556 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c(=O)c1 ZINC000663835070 1039211431 /nfs/dbraw/zinc/21/14/31/1039211431.db2.gz ZZFBOYQAOBMKDQ-FQEVSTJZSA-N 1 2 338.451 3.854 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c(=O)c1 ZINC000663835070 1039211442 /nfs/dbraw/zinc/21/14/42/1039211442.db2.gz ZZFBOYQAOBMKDQ-FQEVSTJZSA-N 1 2 338.451 3.854 20 0 EHADLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)[C@@H]1c1cccs1 ZINC000554310352 1039213817 /nfs/dbraw/zinc/21/38/17/1039213817.db2.gz JBWFBZGHHWDEMT-DOTOQJQBSA-N 1 2 326.465 3.937 20 0 EHADLO CC1(C)C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)[C@@H]1c1cccs1 ZINC000554310352 1039213832 /nfs/dbraw/zinc/21/38/32/1039213832.db2.gz JBWFBZGHHWDEMT-DOTOQJQBSA-N 1 2 326.465 3.937 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000552357624 1039239915 /nfs/dbraw/zinc/23/99/15/1039239915.db2.gz JGPLVTBWXNNSQE-OAHLLOKOSA-N 1 2 333.398 3.639 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000552357624 1039239924 /nfs/dbraw/zinc/23/99/24/1039239924.db2.gz JGPLVTBWXNNSQE-OAHLLOKOSA-N 1 2 333.398 3.639 20 0 EHADLO CCCC(CCC)S[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000554342214 1039239981 /nfs/dbraw/zinc/23/99/81/1039239981.db2.gz WCIASZIMQCOIDV-INIZCTEOSA-N 1 2 349.544 3.821 20 0 EHADLO Cn1ncc2c1nc[nH+]c2NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000488524806 1039244516 /nfs/dbraw/zinc/24/45/16/1039244516.db2.gz XEZNZOFPAMZESK-UHFFFAOYSA-N 1 2 327.819 3.594 20 0 EHADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123415 1039252976 /nfs/dbraw/zinc/25/29/76/1039252976.db2.gz ATRAZMCCGVVMBL-UONOGXRCSA-N 1 2 348.878 3.873 20 0 EHADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000660123415 1039252992 /nfs/dbraw/zinc/25/29/92/1039252992.db2.gz ATRAZMCCGVVMBL-UONOGXRCSA-N 1 2 348.878 3.873 20 0 EHADLO Fc1cc(Nc2cc(Br)cn3cc[nH+]c23)cc(F)n1 ZINC001213078023 1039257058 /nfs/dbraw/zinc/25/70/58/1039257058.db2.gz DTGFHSZQMHBKAY-UHFFFAOYSA-N 1 2 325.116 3.514 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)[nH+]1 ZINC000906047077 1039265010 /nfs/dbraw/zinc/26/50/10/1039265010.db2.gz DUANNYNHLOMXEQ-FQEVSTJZSA-N 1 2 338.451 3.593 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000668517238 1039276161 /nfs/dbraw/zinc/27/61/61/1039276161.db2.gz VCQMZBTUPDGPQV-MRXNPFEDSA-N 1 2 341.430 3.556 20 0 EHADLO c1ccc2c(c1)CC[C@]21C[N@H+](Cc2nsc3ccccc23)CCO1 ZINC000660126549 1039283193 /nfs/dbraw/zinc/28/31/93/1039283193.db2.gz XGRDDKHSXCCJDT-FQEVSTJZSA-N 1 2 336.460 3.970 20 0 EHADLO c1ccc2c(c1)CC[C@]21C[N@@H+](Cc2nsc3ccccc23)CCO1 ZINC000660126549 1039283208 /nfs/dbraw/zinc/28/32/08/1039283208.db2.gz XGRDDKHSXCCJDT-FQEVSTJZSA-N 1 2 336.460 3.970 20 0 EHADLO C[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(Cl)cc1 ZINC000051453994 1039284231 /nfs/dbraw/zinc/28/42/31/1039284231.db2.gz MXMRFTXPUWDQGY-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO C[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(Cl)cc1 ZINC000051453994 1039284241 /nfs/dbraw/zinc/28/42/41/1039284241.db2.gz MXMRFTXPUWDQGY-UHFFFAOYSA-N 1 2 330.844 3.886 20 0 EHADLO Cc1cccc(Cl)c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448590151 1039333490 /nfs/dbraw/zinc/33/34/90/1039333490.db2.gz ATOLRFARSIDKJO-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CC1(C)CC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000667315539 1039350517 /nfs/dbraw/zinc/35/05/17/1039350517.db2.gz AAEFFLHZJWZBJB-ROUUACIJSA-N 1 2 338.455 3.600 20 0 EHADLO CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554463975 1039363216 /nfs/dbraw/zinc/36/32/16/1039363216.db2.gz PTCYQXAGJJXYET-QGZVFWFLSA-N 1 2 341.459 3.616 20 0 EHADLO Cc1nnsc1CNc1cc[nH+]c2c(Br)cccc12 ZINC000488757904 1039376388 /nfs/dbraw/zinc/37/63/88/1039376388.db2.gz AGUMDDOCCIHYRF-UHFFFAOYSA-N 1 2 335.230 3.769 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C)n1 ZINC000570233568 1039377980 /nfs/dbraw/zinc/37/79/80/1039377980.db2.gz VRXZCZIUHAARQS-GOSISDBHSA-N 1 2 346.858 3.934 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C)n1 ZINC000570233568 1039377990 /nfs/dbraw/zinc/37/79/90/1039377990.db2.gz VRXZCZIUHAARQS-GOSISDBHSA-N 1 2 346.858 3.934 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000485670849 1039387773 /nfs/dbraw/zinc/38/77/73/1039387773.db2.gz RMIVTURIFCGDDB-SFHVURJKSA-N 1 2 348.516 3.596 20 0 EHADLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000485670849 1039387780 /nfs/dbraw/zinc/38/77/80/1039387780.db2.gz RMIVTURIFCGDDB-SFHVURJKSA-N 1 2 348.516 3.596 20 0 EHADLO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1nc(C2CCCCC2)no1 ZINC000237592807 1039393882 /nfs/dbraw/zinc/39/38/82/1039393882.db2.gz WBEZWMBTXPXDKX-LBPRGKRZSA-N 1 2 325.416 3.844 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccccc3N3CCCCC3)ccc2[nH+]1 ZINC000351832078 1039438728 /nfs/dbraw/zinc/43/87/28/1039438728.db2.gz LZKCRLDUWNKEJG-UHFFFAOYSA-N 1 2 334.423 3.885 20 0 EHADLO CC[C@@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccncc1 ZINC000927144884 1039477174 /nfs/dbraw/zinc/47/71/74/1039477174.db2.gz GUCYZWAKLWKJMI-CQSZACIVSA-N 1 2 347.260 3.754 20 0 EHADLO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ncc(Br)cn1 ZINC000644895350 1039487382 /nfs/dbraw/zinc/48/73/82/1039487382.db2.gz LDSCAICIWSBPQK-JTQLQIEISA-N 1 2 331.217 3.571 20 0 EHADLO COc1ccc(CCCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000906373322 1039518649 /nfs/dbraw/zinc/51/86/49/1039518649.db2.gz ZWEZOQXBHXJAPW-UHFFFAOYSA-N 1 2 326.440 3.720 20 0 EHADLO O=C(Nc1c(O)cccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000552779879 1039523770 /nfs/dbraw/zinc/52/37/70/1039523770.db2.gz LFEWYACKZPNYRN-UHFFFAOYSA-N 1 2 327.771 3.543 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000667672856 1039538499 /nfs/dbraw/zinc/53/84/99/1039538499.db2.gz JGZBSLXEKCILPZ-UWJYYQICSA-N 1 2 341.451 3.674 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000667672856 1039538513 /nfs/dbraw/zinc/53/85/13/1039538513.db2.gz JGZBSLXEKCILPZ-UWJYYQICSA-N 1 2 341.451 3.674 20 0 EHADLO Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932253831 1039560743 /nfs/dbraw/zinc/56/07/43/1039560743.db2.gz RWXZAYKXXPEZJJ-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932253831 1039560758 /nfs/dbraw/zinc/56/07/58/1039560758.db2.gz RWXZAYKXXPEZJJ-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CCCC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000500849599 1039584723 /nfs/dbraw/zinc/58/47/23/1039584723.db2.gz ILKXEOLUGMSLBQ-SJORKVTESA-N 1 2 332.488 3.727 20 0 EHADLO COc1ccc(F)c(CNC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000339219814 1039590499 /nfs/dbraw/zinc/59/04/99/1039590499.db2.gz UYAUAJPQZBNHEX-GOSISDBHSA-N 1 2 332.419 3.662 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000485819165 1039596957 /nfs/dbraw/zinc/59/69/57/1039596957.db2.gz AEOPTJWRVHBXLU-UHFFFAOYSA-N 1 2 326.488 3.779 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCc4cccc(O)c43)cc2)c1C ZINC000552911929 1039613373 /nfs/dbraw/zinc/61/33/73/1039613373.db2.gz UUXAJHHVMGPROX-SFHVURJKSA-N 1 2 347.418 3.863 20 0 EHADLO CC(C)(CNC(=O)CCc1ccc(-c2ccccc2)o1)n1cc[nH+]c1 ZINC000898893440 1039682447 /nfs/dbraw/zinc/68/24/47/1039682447.db2.gz KUTOSIBKSLNYMW-UHFFFAOYSA-N 1 2 337.423 3.627 20 0 EHADLO Cc1cc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)nc(C(C)C)[nH+]1 ZINC000531599555 1039703914 /nfs/dbraw/zinc/70/39/14/1039703914.db2.gz SWASDKFPMLJZKE-CQSZACIVSA-N 1 2 327.432 3.553 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898903571 1039711745 /nfs/dbraw/zinc/71/17/45/1039711745.db2.gz CHRHEYIJACEKIY-INIZCTEOSA-N 1 2 342.487 3.813 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCS[C@@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000906730802 1039720868 /nfs/dbraw/zinc/72/08/68/1039720868.db2.gz ISBFYDNGJHHZAZ-QGZVFWFLSA-N 1 2 326.465 3.937 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097496 1039734988 /nfs/dbraw/zinc/73/49/88/1039734988.db2.gz BHUBQVKFROOPOE-QAPCUYQASA-N 1 2 334.423 3.639 20 0 EHADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000364097496 1039735003 /nfs/dbraw/zinc/73/50/03/1039735003.db2.gz BHUBQVKFROOPOE-QAPCUYQASA-N 1 2 334.423 3.639 20 0 EHADLO CS(=O)(=O)c1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)nc1 ZINC000553053358 1039735832 /nfs/dbraw/zinc/73/58/32/1039735832.db2.gz VDTBANKEBKUUQB-UHFFFAOYSA-N 1 2 345.468 3.831 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2c(C)nsc2C)nc1C ZINC000570407762 1039778649 /nfs/dbraw/zinc/77/86/49/1039778649.db2.gz KSRSIHFEVSQQCC-JTQLQIEISA-N 1 2 339.486 3.552 20 0 EHADLO CSc1c(F)cccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667411535 1039779693 /nfs/dbraw/zinc/77/96/93/1039779693.db2.gz KVJLQNSSQRRCND-UHFFFAOYSA-N 1 2 334.420 3.682 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)s1)Cc1c2c(nn1C)CCSC2 ZINC000893904630 1039800023 /nfs/dbraw/zinc/80/00/23/1039800023.db2.gz CKAAYYYHEOECHC-UHFFFAOYSA-N 1 2 341.933 3.946 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1c2c(nn1C)CCSC2 ZINC000893904630 1039800049 /nfs/dbraw/zinc/80/00/49/1039800049.db2.gz CKAAYYYHEOECHC-UHFFFAOYSA-N 1 2 341.933 3.946 20 0 EHADLO CCSc1ccccc1CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000906988918 1039869623 /nfs/dbraw/zinc/86/96/23/1039869623.db2.gz WPDRNZNGRPQHMA-NVXWUHKLSA-N 1 2 343.496 3.647 20 0 EHADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889643 1039887811 /nfs/dbraw/zinc/88/78/11/1039887811.db2.gz YCCUDOTVOYSEBQ-UKRRQHHQSA-N 1 2 335.444 3.526 20 0 EHADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000554889643 1039887828 /nfs/dbraw/zinc/88/78/28/1039887828.db2.gz YCCUDOTVOYSEBQ-UKRRQHHQSA-N 1 2 335.444 3.526 20 0 EHADLO Cc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC000927088740 1039912874 /nfs/dbraw/zinc/91/28/74/1039912874.db2.gz UFXINGDYTSNHBQ-UHFFFAOYSA-N 1 2 329.831 3.760 20 0 EHADLO CC(C)c1ncsc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893992938 1039928352 /nfs/dbraw/zinc/92/83/52/1039928352.db2.gz XFVQMNXPIXFXPU-OAHLLOKOSA-N 1 2 340.452 3.634 20 0 EHADLO CC(C)c1ncsc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893992937 1039930736 /nfs/dbraw/zinc/93/07/36/1039930736.db2.gz XFVQMNXPIXFXPU-HNNXBMFYSA-N 1 2 340.452 3.634 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000553297247 1039943147 /nfs/dbraw/zinc/94/31/47/1039943147.db2.gz MAWVJZBWEMZNOV-OKZBNKHCSA-N 1 2 338.455 3.871 20 0 EHADLO CN(C)C(=O)[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000419210520 1039962302 /nfs/dbraw/zinc/96/23/02/1039962302.db2.gz VGDCGOATSOEPAX-LJQANCHMSA-N 1 2 326.415 3.622 20 0 EHADLO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)CC2 ZINC000553405564 1040048881 /nfs/dbraw/zinc/04/88/81/1040048881.db2.gz SNZCOPJISOYKGQ-CQSZACIVSA-N 1 2 349.438 3.536 20 0 EHADLO CCC(CC)c1cc(CNc2nc(C3CC3)[nH+]c(C)c2OC)on1 ZINC000555033857 1040071622 /nfs/dbraw/zinc/07/16/22/1040071622.db2.gz DGKYSRZLKGCDCP-UHFFFAOYSA-N 1 2 330.432 3.597 20 0 EHADLO Cc1ccc2c(C)cc(N[C@@H](C)C(=O)N3Cc4ccccc4C3)[nH+]c2c1 ZINC000480858784 1040100840 /nfs/dbraw/zinc/10/08/40/1040100840.db2.gz UJOROMUNHGWSHE-INIZCTEOSA-N 1 2 345.446 3.616 20 0 EHADLO Cc1c(NCC2(C(F)F)CC2)nc[nH+]c1NCC1(C(F)F)CC1 ZINC000663858479 1040106013 /nfs/dbraw/zinc/10/60/13/1040106013.db2.gz QVMPIGAEKFWLBS-UHFFFAOYSA-N 1 2 332.345 3.699 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907673996 1040124243 /nfs/dbraw/zinc/12/42/43/1040124243.db2.gz CZUXSPPNGZRKLQ-IKGGRYGDSA-N 1 2 340.471 3.502 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907674001 1040124666 /nfs/dbraw/zinc/12/46/66/1040124666.db2.gz CZUXSPPNGZRKLQ-ZACQAIPSSA-N 1 2 340.471 3.502 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CCC1 ZINC000907815994 1040184927 /nfs/dbraw/zinc/18/49/27/1040184927.db2.gz QBSXJEFQFMNDML-CJNGLKHVSA-N 1 2 329.488 3.867 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CCC1 ZINC000907815994 1040184937 /nfs/dbraw/zinc/18/49/37/1040184937.db2.gz QBSXJEFQFMNDML-CJNGLKHVSA-N 1 2 329.488 3.867 20 0 EHADLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c2c1CCC2 ZINC000448629394 1040216617 /nfs/dbraw/zinc/21/66/17/1040216617.db2.gz HGWGLJBJJRAMEI-UHFFFAOYSA-N 1 2 345.446 3.659 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cc1 ZINC000553591854 1040223778 /nfs/dbraw/zinc/22/37/78/1040223778.db2.gz WONKFSOBQFKZEP-KRWDZBQOSA-N 1 2 325.456 3.656 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2c(s1)CCCC2 ZINC000553618023 1040238720 /nfs/dbraw/zinc/23/87/20/1040238720.db2.gz LIELSCYCYITKRN-UHFFFAOYSA-N 1 2 338.436 3.519 20 0 EHADLO CS[C@H]1CCCCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000154268423 1040241803 /nfs/dbraw/zinc/24/18/03/1040241803.db2.gz YBZRYVMLXBFPOM-HNNXBMFYSA-N 1 2 329.469 3.538 20 0 EHADLO CCS[C@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016363 1040266815 /nfs/dbraw/zinc/26/68/15/1040266815.db2.gz PVRWSCOZKPFPNG-JKSUJKDBSA-N 1 2 325.449 3.647 20 0 EHADLO CCS[C@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC000481016363 1040266832 /nfs/dbraw/zinc/26/68/32/1040266832.db2.gz PVRWSCOZKPFPNG-JKSUJKDBSA-N 1 2 325.449 3.647 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000490002032 1040279975 /nfs/dbraw/zinc/27/99/75/1040279975.db2.gz DKWHMUVYMLMZKA-UHFFFAOYSA-N 1 2 342.277 3.702 20 0 EHADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1F ZINC000512618434 1040298641 /nfs/dbraw/zinc/29/86/41/1040298641.db2.gz RVLCZWIGVILQGP-SNVBAGLBSA-N 1 2 325.305 3.938 20 0 EHADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1F ZINC000512618434 1040298645 /nfs/dbraw/zinc/29/86/45/1040298645.db2.gz RVLCZWIGVILQGP-SNVBAGLBSA-N 1 2 325.305 3.938 20 0 EHADLO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12)C1CC1 ZINC000479503690 1040309188 /nfs/dbraw/zinc/30/91/88/1040309188.db2.gz OETUDWFFTIHMJH-HNNXBMFYSA-N 1 2 341.238 3.558 20 0 EHADLO CCc1noc(C)c1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154478423 1040333839 /nfs/dbraw/zinc/33/38/39/1040333839.db2.gz VYHOXCXOUKFSSY-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO CCc1noc(C)c1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154478423 1040333852 /nfs/dbraw/zinc/33/38/52/1040333852.db2.gz VYHOXCXOUKFSSY-UHFFFAOYSA-N 1 2 347.434 3.924 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000490093530 1040353861 /nfs/dbraw/zinc/35/38/61/1040353861.db2.gz PHHSIMWOTAGAFP-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000490093530 1040353877 /nfs/dbraw/zinc/35/38/77/1040353877.db2.gz PHHSIMWOTAGAFP-QGZVFWFLSA-N 1 2 332.831 3.598 20 0 EHADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1CCOCC1 ZINC000154534628 1040359292 /nfs/dbraw/zinc/35/92/92/1040359292.db2.gz QALYTSHUWJIHMP-UHFFFAOYSA-N 1 2 333.435 3.680 20 0 EHADLO O=C(c1coc2ccc(Cl)cc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000651462082 1040392690 /nfs/dbraw/zinc/39/26/90/1040392690.db2.gz QAFAFRPGNCTIIE-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO O=C(c1coc2ccc(Cl)cc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000651462082 1040392702 /nfs/dbraw/zinc/39/27/02/1040392702.db2.gz QAFAFRPGNCTIIE-UHFFFAOYSA-N 1 2 329.787 3.829 20 0 EHADLO CC[N@H+](Cc1cn(C(C)C)nn1)Cc1cccc(-c2ccncc2)c1 ZINC000367656960 1040410001 /nfs/dbraw/zinc/41/00/01/1040410001.db2.gz FOQUHSVIOSSCFH-UHFFFAOYSA-N 1 2 335.455 3.943 20 0 EHADLO CC[N@@H+](Cc1cn(C(C)C)nn1)Cc1cccc(-c2ccncc2)c1 ZINC000367656960 1040410012 /nfs/dbraw/zinc/41/00/12/1040410012.db2.gz FOQUHSVIOSSCFH-UHFFFAOYSA-N 1 2 335.455 3.943 20 0 EHADLO CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000486767305 1040424838 /nfs/dbraw/zinc/42/48/38/1040424838.db2.gz GDIOUXKOPYEBOC-SFHVURJKSA-N 1 2 339.483 3.611 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@@](=O)C[C@@H](C)C3)o2)cc1 ZINC000433027219 1040493524 /nfs/dbraw/zinc/49/35/24/1040493524.db2.gz JYUUGIXDJNXGOK-NPMXOYFQSA-N 1 2 331.481 3.709 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@@](=O)C[C@@H](C)C3)o2)cc1 ZINC000433027219 1040493532 /nfs/dbraw/zinc/49/35/32/1040493532.db2.gz JYUUGIXDJNXGOK-NPMXOYFQSA-N 1 2 331.481 3.709 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000669054200 1040500019 /nfs/dbraw/zinc/50/00/19/1040500019.db2.gz XPICNDVQIKFKIM-QZTJIDSGSA-N 1 2 339.439 3.622 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[S@@](=O)CC[C@H]3C)o2)cc1 ZINC000433031439 1040504212 /nfs/dbraw/zinc/50/42/12/1040504212.db2.gz YWFJESHDDQLTNT-CMJOXMDJSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[S@@](=O)CC[C@H]3C)o2)cc1 ZINC000433031439 1040504239 /nfs/dbraw/zinc/50/42/39/1040504239.db2.gz YWFJESHDDQLTNT-CMJOXMDJSA-N 1 2 331.481 3.852 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc3c2OC(C)(C)CC3)c[nH+]1 ZINC000912966856 1040509912 /nfs/dbraw/zinc/50/99/12/1040509912.db2.gz LXNCTHGAYYVDNK-UHFFFAOYSA-N 1 2 327.428 3.669 20 0 EHADLO Cc1nnsc1[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000931059156 1040565030 /nfs/dbraw/zinc/56/50/30/1040565030.db2.gz LQHMLJQVLLIIQN-WRWORJQWSA-N 1 2 332.256 3.538 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000600053045 1040568300 /nfs/dbraw/zinc/56/83/00/1040568300.db2.gz NMCKRJWWYIELJU-IBGZPJMESA-N 1 2 340.492 3.689 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000486953839 1040596721 /nfs/dbraw/zinc/59/67/21/1040596721.db2.gz APTXEVJTSIVTMX-UHFFFAOYSA-N 1 2 342.830 3.609 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cnn3c2CCC3)s1 ZINC000667560452 1040636598 /nfs/dbraw/zinc/63/65/98/1040636598.db2.gz ZTMPMCVQMADEAM-UHFFFAOYSA-N 1 2 327.453 3.995 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cnn3c2CCC3)s1 ZINC000667560452 1040636615 /nfs/dbraw/zinc/63/66/15/1040636615.db2.gz ZTMPMCVQMADEAM-UHFFFAOYSA-N 1 2 327.453 3.995 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCC[C@H]1C1CCC1 ZINC000645146187 1040716676 /nfs/dbraw/zinc/71/66/76/1040716676.db2.gz QYHFOOXJLBLBKE-SFHVURJKSA-N 1 2 342.487 3.546 20 0 EHADLO Cc1nc(N2CCC(C(=O)c3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000364298618 1040721738 /nfs/dbraw/zinc/72/17/38/1040721738.db2.gz GZDDAOUVDMXIHA-UHFFFAOYSA-N 1 2 341.480 3.825 20 0 EHADLO CC[NH+](CC)[C@@H](CN[C@@H]1CCc2c1nccc2Cl)c1ccco1 ZINC000924856619 1040743247 /nfs/dbraw/zinc/74/32/47/1040743247.db2.gz XHLRXOJJUIJARC-CVEARBPZSA-N 1 2 333.863 3.988 20 0 EHADLO Cc1cccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)c1Br ZINC000487186034 1040758602 /nfs/dbraw/zinc/75/86/02/1040758602.db2.gz KHJPYIZSBBLDOB-JTQLQIEISA-N 1 2 334.217 3.539 20 0 EHADLO OC[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(F)cc1F ZINC000668754064 1040775437 /nfs/dbraw/zinc/77/54/37/1040775437.db2.gz JXNVBVWNTDUYJN-ZDUSSCGKSA-N 1 2 337.313 3.868 20 0 EHADLO Fc1ccc(F)c2c1CCN2Cc1c[nH+]cn1Cc1ccccc1 ZINC000555572213 1040854919 /nfs/dbraw/zinc/85/49/19/1040854919.db2.gz CTSRHIVFBHIHEQ-UHFFFAOYSA-N 1 2 325.362 3.772 20 0 EHADLO CC(C)[N@H+](CC(F)F)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157243458 1040874997 /nfs/dbraw/zinc/87/49/97/1040874997.db2.gz ZVGKHZYQGNYJLN-CYBMUJFWSA-N 1 2 325.321 3.584 20 0 EHADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157243458 1040875001 /nfs/dbraw/zinc/87/50/01/1040875001.db2.gz ZVGKHZYQGNYJLN-CYBMUJFWSA-N 1 2 325.321 3.584 20 0 EHADLO Cc1cnc(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)s1 ZINC000433137145 1040880553 /nfs/dbraw/zinc/88/05/53/1040880553.db2.gz ZMZGHHXNPGVFNX-UHFFFAOYSA-N 1 2 349.887 3.923 20 0 EHADLO CCCC1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000491075360 1040886459 /nfs/dbraw/zinc/88/64/59/1040886459.db2.gz LHLLDCUQWVDSAP-UHFFFAOYSA-N 1 2 329.488 3.727 20 0 EHADLO CC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc2ccccc21 ZINC000899655984 1040923272 /nfs/dbraw/zinc/92/32/72/1040923272.db2.gz GWFPGGLWMFSOQR-UZLBHIALSA-N 1 2 333.435 3.866 20 0 EHADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151450241 1040935678 /nfs/dbraw/zinc/93/56/78/1040935678.db2.gz IILDVLHFGAYQFB-AZUAARDMSA-N 1 2 337.467 3.883 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000586756397 1041001522 /nfs/dbraw/zinc/00/15/22/1041001522.db2.gz LDOGRQFYHZRLFQ-UHFFFAOYSA-N 1 2 335.451 3.588 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000249356118 1041010850 /nfs/dbraw/zinc/01/08/50/1041010850.db2.gz YTGDLYWVPJIVGE-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000249356118 1041010863 /nfs/dbraw/zinc/01/08/63/1041010863.db2.gz YTGDLYWVPJIVGE-NWDGAFQWSA-N 1 2 325.250 3.508 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514560 1041012854 /nfs/dbraw/zinc/01/28/54/1041012854.db2.gz ZSMSQUFYNWUOOV-XJKSGUPXSA-N 1 2 330.453 3.584 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000481514560 1041012860 /nfs/dbraw/zinc/01/28/60/1041012860.db2.gz ZSMSQUFYNWUOOV-XJKSGUPXSA-N 1 2 330.453 3.584 20 0 EHADLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000343866113 1041064380 /nfs/dbraw/zinc/06/43/80/1041064380.db2.gz SPVXKZJAODBGKZ-CMPLNLGQSA-N 1 2 330.375 3.936 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000509810745 1041071348 /nfs/dbraw/zinc/07/13/48/1041071348.db2.gz XVGRROOMDXXTOQ-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000509810745 1041071368 /nfs/dbraw/zinc/07/13/68/1041071368.db2.gz XVGRROOMDXXTOQ-IBGZPJMESA-N 1 2 341.451 3.885 20 0 EHADLO Oc1cccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1Cl ZINC000390587120 1041074649 /nfs/dbraw/zinc/07/46/49/1041074649.db2.gz NAYLHISLSDAHSM-QGZVFWFLSA-N 1 2 330.859 3.800 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000652068241 1041105138 /nfs/dbraw/zinc/10/51/38/1041105138.db2.gz WRWNZXFYZPSAKM-KGLIPLIRSA-N 1 2 330.428 3.849 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c(Cl)nccc1C(F)(F)F ZINC000759848345 1041117322 /nfs/dbraw/zinc/11/73/22/1041117322.db2.gz AVYMJOPBQMBDSQ-UHFFFAOYSA-N 1 2 340.692 3.654 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000481595492 1041124857 /nfs/dbraw/zinc/12/48/57/1041124857.db2.gz OWHVGBKHGXCKBX-GBESFXJTSA-N 1 2 347.499 3.510 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000433246703 1041139239 /nfs/dbraw/zinc/13/92/39/1041139239.db2.gz LSORUZRBXIJOTF-SFHVURJKSA-N 1 2 346.833 3.931 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000433246703 1041139248 /nfs/dbraw/zinc/13/92/48/1041139248.db2.gz LSORUZRBXIJOTF-SFHVURJKSA-N 1 2 346.833 3.931 20 0 EHADLO O=C(NC[C@H]1SCCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000487903159 1041154554 /nfs/dbraw/zinc/15/45/54/1041154554.db2.gz CJSYGRVLNNGOGM-LJQANCHMSA-N 1 2 349.459 3.633 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)C2 ZINC000571041415 1041156262 /nfs/dbraw/zinc/15/62/62/1041156262.db2.gz CDDBXBKMQRVTBU-UGUYLWEFSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)CC2 ZINC000571041415 1041156268 /nfs/dbraw/zinc/15/62/68/1041156268.db2.gz CDDBXBKMQRVTBU-UGUYLWEFSA-N 1 2 331.504 3.969 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000343867201 1041187961 /nfs/dbraw/zinc/18/79/61/1041187961.db2.gz OUSPEVKPJORPRC-HOTGVXAUSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932372 1041211776 /nfs/dbraw/zinc/21/17/76/1041211776.db2.gz SACNYJBJQHUADD-ZYHUDNBSSA-N 1 2 330.881 3.596 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932372 1041211794 /nfs/dbraw/zinc/21/17/94/1041211794.db2.gz SACNYJBJQHUADD-ZYHUDNBSSA-N 1 2 330.881 3.596 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1coc2ccccc12 ZINC000113037215 1041214239 /nfs/dbraw/zinc/21/42/39/1041214239.db2.gz XWUZMYNXSJNYTO-UHFFFAOYSA-N 1 2 335.338 3.688 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000345086852 1041236127 /nfs/dbraw/zinc/23/61/27/1041236127.db2.gz VUFMGZQIQDJSTN-DYVFJYSZSA-N 1 2 331.437 3.745 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000345086852 1041236141 /nfs/dbraw/zinc/23/61/41/1041236141.db2.gz VUFMGZQIQDJSTN-DYVFJYSZSA-N 1 2 331.437 3.745 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000345086853 1041240100 /nfs/dbraw/zinc/24/01/00/1041240100.db2.gz VUFMGZQIQDJSTN-GUYCJALGSA-N 1 2 331.437 3.745 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000345086853 1041240112 /nfs/dbraw/zinc/24/01/12/1041240112.db2.gz VUFMGZQIQDJSTN-GUYCJALGSA-N 1 2 331.437 3.745 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000571415558 1041289924 /nfs/dbraw/zinc/28/99/24/1041289924.db2.gz AFCIBUWKPDUJGG-NXEZZACHSA-N 1 2 326.227 3.773 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000571415558 1041289942 /nfs/dbraw/zinc/28/99/42/1041289942.db2.gz AFCIBUWKPDUJGG-NXEZZACHSA-N 1 2 326.227 3.773 20 0 EHADLO CC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C ZINC000193872881 1041594761 /nfs/dbraw/zinc/59/47/61/1041594761.db2.gz DKXZUNVSSSPUNK-UHFFFAOYSA-N 1 2 337.354 3.775 20 0 EHADLO Cc1ccncc1C[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644366 1041625536 /nfs/dbraw/zinc/62/55/36/1041625536.db2.gz RSIJTXFYRTZEQB-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1ccncc1C[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644366 1041625538 /nfs/dbraw/zinc/62/55/38/1041625538.db2.gz RSIJTXFYRTZEQB-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO O=C(N[C@H]1CCSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523059 1041642229 /nfs/dbraw/zinc/64/22/29/1041642229.db2.gz RMWRETKNZDLEIH-KRWDZBQOSA-N 1 2 335.432 3.839 20 0 EHADLO c1ccc(-c2cncnc2NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000432151352 1041654078 /nfs/dbraw/zinc/65/40/78/1041654078.db2.gz FMYXARMGYUBDEZ-UHFFFAOYSA-N 1 2 345.450 3.563 20 0 EHADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000106272636 1041661327 /nfs/dbraw/zinc/66/13/27/1041661327.db2.gz YFLGDXLBFWYDMG-AWEZNQCLSA-N 1 2 328.460 3.625 20 0 EHADLO Cc1ccc(CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000047475735 1041664892 /nfs/dbraw/zinc/66/48/92/1041664892.db2.gz PVFPRZMOPYSBRB-UHFFFAOYSA-N 1 2 347.462 3.797 20 0 EHADLO Nc1cccc(C[N@@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000660644684 1041748455 /nfs/dbraw/zinc/74/84/55/1041748455.db2.gz JXSOBMRSPROKAR-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO Nc1cccc(C[N@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000660644684 1041748458 /nfs/dbraw/zinc/74/84/58/1041748458.db2.gz JXSOBMRSPROKAR-UHFFFAOYSA-N 1 2 335.220 3.729 20 0 EHADLO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)o1 ZINC000660683705 1041771635 /nfs/dbraw/zinc/77/16/35/1041771635.db2.gz IYZYIVLUZMGIKS-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)o1 ZINC000660683705 1041771641 /nfs/dbraw/zinc/77/16/41/1041771641.db2.gz IYZYIVLUZMGIKS-UHFFFAOYSA-N 1 2 349.425 3.963 20 0 EHADLO COc1cc(C[N@H+](C(C)C)[C@H]2CCN(Cc3ccccc3)C2)sn1 ZINC000660904926 1041864340 /nfs/dbraw/zinc/86/43/40/1041864340.db2.gz VBLGWVARSXRTIX-KRWDZBQOSA-N 1 2 345.512 3.637 20 0 EHADLO COc1cc(C[N@@H+](C(C)C)[C@H]2CCN(Cc3ccccc3)C2)sn1 ZINC000660904926 1041864345 /nfs/dbraw/zinc/86/43/45/1041864345.db2.gz VBLGWVARSXRTIX-KRWDZBQOSA-N 1 2 345.512 3.637 20 0 EHADLO CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000660955234 1041882543 /nfs/dbraw/zinc/88/25/43/1041882543.db2.gz FACQFHQMTZMXAQ-UHFFFAOYSA-N 1 2 341.440 3.530 20 0 EHADLO Cc1nc(N2CCC(c3c[nH]c4ncccc34)CC2)c2c([nH+]1)CCCC2 ZINC000302043608 1041898653 /nfs/dbraw/zinc/89/86/53/1041898653.db2.gz JKCMHEOPOJYLTL-UHFFFAOYSA-N 1 2 347.466 3.924 20 0 EHADLO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000651730531 1041972884 /nfs/dbraw/zinc/97/28/84/1041972884.db2.gz PLYAPLLMPBXTSS-GOEBONIOSA-N 1 2 331.460 3.762 20 0 EHADLO CC[C@@H](CN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000651769597 1042014473 /nfs/dbraw/zinc/01/44/73/1042014473.db2.gz NCMJWFJIIZGWFT-KRWDZBQOSA-N 1 2 339.483 3.804 20 0 EHADLO CC[C@H](CN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000651769598 1042014846 /nfs/dbraw/zinc/01/48/46/1042014846.db2.gz NCMJWFJIIZGWFT-QGZVFWFLSA-N 1 2 339.483 3.804 20 0 EHADLO CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000661329702 1042068672 /nfs/dbraw/zinc/06/86/72/1042068672.db2.gz CWFBVCNZSOXJAH-SFHVURJKSA-N 1 2 329.419 3.658 20 0 EHADLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376624 1042089020 /nfs/dbraw/zinc/08/90/20/1042089020.db2.gz FHLNWNMAADQQKB-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cscn2)cc1 ZINC000661426497 1042115662 /nfs/dbraw/zinc/11/56/62/1042115662.db2.gz XCIQSKBFBAKPKB-LSDHHAIUSA-N 1 2 345.512 3.870 20 0 EHADLO COC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OC)c1 ZINC000661478822 1042139923 /nfs/dbraw/zinc/13/99/23/1042139923.db2.gz OSHXLTMOMSNIAT-HNNXBMFYSA-N 1 2 334.485 3.927 20 0 EHADLO CCC(C)(C)[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661556229 1042186869 /nfs/dbraw/zinc/18/68/69/1042186869.db2.gz GJLGFCKVBBMQDG-NVXWUHKLSA-N 1 2 342.487 3.828 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)nn1 ZINC000651949903 1042233600 /nfs/dbraw/zinc/23/36/00/1042233600.db2.gz XUFBEJNPBGIIFI-HNNXBMFYSA-N 1 2 332.423 3.564 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2)cc1F ZINC000661662516 1042239516 /nfs/dbraw/zinc/23/95/16/1042239516.db2.gz YPDCFRKAEIFSGT-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2)cc1F ZINC000661662516 1042239521 /nfs/dbraw/zinc/23/95/21/1042239521.db2.gz YPDCFRKAEIFSGT-KRWDZBQOSA-N 1 2 328.387 3.610 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccc(OC)c2OC)cc1F ZINC000661661754 1042240747 /nfs/dbraw/zinc/24/07/47/1042240747.db2.gz XZVSEWATJILPIB-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccc(OC)c2OC)cc1F ZINC000661661754 1042240755 /nfs/dbraw/zinc/24/07/55/1042240755.db2.gz XZVSEWATJILPIB-INIZCTEOSA-N 1 2 346.402 3.584 20 0 EHADLO COc1cncc(/C=C\CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000661737091 1042293902 /nfs/dbraw/zinc/29/39/02/1042293902.db2.gz ROQPJTMRXQOBLX-IQGMXUJPSA-N 1 2 342.414 3.706 20 0 EHADLO COc1cncc(/C=C\CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000661737091 1042293905 /nfs/dbraw/zinc/29/39/05/1042293905.db2.gz ROQPJTMRXQOBLX-IQGMXUJPSA-N 1 2 342.414 3.706 20 0 EHADLO CC(C)[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccn1 ZINC000048273165 1042298734 /nfs/dbraw/zinc/29/87/34/1042298734.db2.gz YCAXEFKVYOEQFS-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccn1 ZINC000048273165 1042298740 /nfs/dbraw/zinc/29/87/40/1042298740.db2.gz YCAXEFKVYOEQFS-UHFFFAOYSA-N 1 2 335.810 3.723 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCCCC1CCC1)c1ccccc1 ZINC000661822371 1042350082 /nfs/dbraw/zinc/35/00/82/1042350082.db2.gz FECOTZGEUBNLLH-SFHVURJKSA-N 1 2 340.471 3.583 20 0 EHADLO COCc1cc[nH+]c(N[C@@H](C)c2ncc(Br)s2)c1 ZINC000652331176 1042378959 /nfs/dbraw/zinc/37/89/59/1042378959.db2.gz ZVJDTQWCBOJDCM-QMMMGPOBSA-N 1 2 328.235 3.620 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1coc(-c3c(F)cccc3F)n1)CC2 ZINC000661956850 1042430289 /nfs/dbraw/zinc/43/02/89/1042430289.db2.gz CAARWFVSLARDNL-UHFFFAOYSA-N 1 2 346.377 3.955 20 0 EHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccccc1 ZINC000661974168 1042439267 /nfs/dbraw/zinc/43/92/67/1042439267.db2.gz VJXDARNOZMUECL-GJZGRUSLSA-N 1 2 327.453 3.670 20 0 EHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1)c1ccccc1 ZINC000661974168 1042439272 /nfs/dbraw/zinc/43/92/72/1042439272.db2.gz VJXDARNOZMUECL-GJZGRUSLSA-N 1 2 327.453 3.670 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1C ZINC000661997238 1042451454 /nfs/dbraw/zinc/45/14/54/1042451454.db2.gz LRLAXMSPFTXZMT-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1C ZINC000661997238 1042451459 /nfs/dbraw/zinc/45/14/59/1042451459.db2.gz LRLAXMSPFTXZMT-INIZCTEOSA-N 1 2 342.483 3.521 20 0 EHADLO Cc1cc(C)c2cc(C(=O)NCc3c[nH+]c(C)cc3C)sc2n1 ZINC000662014708 1042461906 /nfs/dbraw/zinc/46/19/06/1042461906.db2.gz KRIMHFIAYHATGE-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000652411635 1042463865 /nfs/dbraw/zinc/46/38/65/1042463865.db2.gz WAECYMWQENUOCI-NVXWUHKLSA-N 1 2 346.862 3.562 20 0 EHADLO Cc1[nH]c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)[nH+]c1C ZINC000628301325 1042481783 /nfs/dbraw/zinc/48/17/83/1042481783.db2.gz QANUXKQZHGXHBL-GXSJLCMTSA-N 1 2 329.288 3.732 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(-c4ccsc4)no3)CCC2)c1 ZINC000662107706 1042523178 /nfs/dbraw/zinc/52/31/78/1042523178.db2.gz CVLQMNLJSKKMLB-UHFFFAOYSA-N 1 2 341.436 3.976 20 0 EHADLO COc1cccc(C2([NH2+]Cc3nc(-c4ccoc4)no3)CCC2)c1 ZINC000662109894 1042525202 /nfs/dbraw/zinc/52/52/02/1042525202.db2.gz UJBOIVBVKOROQF-UHFFFAOYSA-N 1 2 325.368 3.507 20 0 EHADLO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000248446761 1042525343 /nfs/dbraw/zinc/52/53/43/1042525343.db2.gz WWCAQPYAUCZWDZ-NHYWBVRUSA-N 1 2 345.270 3.821 20 0 EHADLO CO[C@@H](C)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000248446761 1042525344 /nfs/dbraw/zinc/52/53/44/1042525344.db2.gz WWCAQPYAUCZWDZ-NHYWBVRUSA-N 1 2 345.270 3.821 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000248628702 1042525868 /nfs/dbraw/zinc/52/58/68/1042525868.db2.gz ZLGXOEATIWZHOO-QUCCMNQESA-N 1 2 336.435 3.605 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000248628702 1042525871 /nfs/dbraw/zinc/52/58/71/1042525871.db2.gz ZLGXOEATIWZHOO-QUCCMNQESA-N 1 2 336.435 3.605 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCCO1 ZINC000248529642 1042527135 /nfs/dbraw/zinc/52/71/35/1042527135.db2.gz WXCBVXAHZOJUAJ-BIGNPOOSSA-N 1 2 346.240 3.902 20 0 EHADLO Cn1cc(NC(=O)Nc2ccc3[nH+]ccn3c2)c(C2CCCCC2)n1 ZINC000652565477 1042545282 /nfs/dbraw/zinc/54/52/82/1042545282.db2.gz XCBXQQLTNGQTLZ-UHFFFAOYSA-N 1 2 338.415 3.760 20 0 EHADLO Cc1cc(C)c(NC(=O)NCC[C@@H]2CCc3ccccc3N2)c(C)[nH+]1 ZINC000652606341 1042575334 /nfs/dbraw/zinc/57/53/34/1042575334.db2.gz KXRXEXMGPYOGEK-KRWDZBQOSA-N 1 2 338.455 3.945 20 0 EHADLO CC[N@H+](CCOc1ccccc1OC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000662207566 1042590707 /nfs/dbraw/zinc/59/07/07/1042590707.db2.gz BEDROIIJAHWRCO-AWEZNQCLSA-N 1 2 347.459 3.838 20 0 EHADLO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000662207566 1042590711 /nfs/dbraw/zinc/59/07/11/1042590711.db2.gz BEDROIIJAHWRCO-AWEZNQCLSA-N 1 2 347.459 3.838 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662215979 1042609123 /nfs/dbraw/zinc/60/91/23/1042609123.db2.gz YLAWXUKOMOSQCU-AWEZNQCLSA-N 1 2 337.423 3.948 20 0 EHADLO Cc1ccc(NCc2cc3c(c(Br)c2)OCO3)c(C)[nH+]1 ZINC000094664326 1042631253 /nfs/dbraw/zinc/63/12/53/1042631253.db2.gz KILMJROGDMPJJK-UHFFFAOYSA-N 1 2 335.201 3.802 20 0 EHADLO Cc1cc(C)n(-c2ccc(CNc3[nH+]c(C)nc4c3ccn4C)cc2)n1 ZINC001167797919 1042681578 /nfs/dbraw/zinc/68/15/78/1042681578.db2.gz XALNAURTWZICBJ-UHFFFAOYSA-N 1 2 346.438 3.691 20 0 EHADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000663332506 1042711347 /nfs/dbraw/zinc/71/13/47/1042711347.db2.gz RSRMURXYTZYGLK-GOSISDBHSA-N 1 2 347.418 3.930 20 0 EHADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)C[C@@H]1COc2ccccc2O1 ZINC000067374883 1042776834 /nfs/dbraw/zinc/77/68/34/1042776834.db2.gz LDIJSKWDPWXMMV-CYBMUJFWSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1ncc(-c2cccs2)o1)C[C@@H]1COc2ccccc2O1 ZINC000067374883 1042776838 /nfs/dbraw/zinc/77/68/38/1042776838.db2.gz LDIJSKWDPWXMMV-CYBMUJFWSA-N 1 2 342.420 3.675 20 0 EHADLO COc1ccc(CNc2nc(C)[nH+]c(C)c2Br)cc1F ZINC000663385029 1042783778 /nfs/dbraw/zinc/78/37/78/1042783778.db2.gz XABSGWJVSBRIHP-UHFFFAOYSA-N 1 2 340.196 3.616 20 0 EHADLO CCOc1cc(CNc2ccc(N(C)C)[nH+]c2)ccc1OC(F)F ZINC000121784573 1042813170 /nfs/dbraw/zinc/81/31/70/1042813170.db2.gz ASLBPYYORVKHLW-UHFFFAOYSA-N 1 2 337.370 3.760 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000343938016 1042882631 /nfs/dbraw/zinc/88/26/31/1042882631.db2.gz VEXBTQSQUNSCSW-CRAIPNDOSA-N 1 2 341.455 3.504 20 0 EHADLO CSc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066962293 1042883921 /nfs/dbraw/zinc/88/39/21/1042883921.db2.gz KNYMIFFYVHYJON-UHFFFAOYSA-N 1 2 338.436 3.916 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1F ZINC000066962569 1042883981 /nfs/dbraw/zinc/88/39/81/1042883981.db2.gz JHQCLSMLOSEKQM-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000026460887 1042896469 /nfs/dbraw/zinc/89/64/69/1042896469.db2.gz RUEBYMBQUXTHIW-ZDUSSCGKSA-N 1 2 346.377 3.673 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000026460887 1042896475 /nfs/dbraw/zinc/89/64/75/1042896475.db2.gz RUEBYMBQUXTHIW-ZDUSSCGKSA-N 1 2 346.377 3.673 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303453916 1042933077 /nfs/dbraw/zinc/93/30/77/1042933077.db2.gz FORZEIGAPVUNMX-INIZCTEOSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303453916 1042933081 /nfs/dbraw/zinc/93/30/81/1042933081.db2.gz FORZEIGAPVUNMX-INIZCTEOSA-N 1 2 340.870 3.996 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278922273 1042954991 /nfs/dbraw/zinc/95/49/91/1042954991.db2.gz LRESXXPRGRAZRR-GHMZBOCLSA-N 1 2 349.422 3.604 20 0 EHADLO COC(=O)C1([NH2+]CCSc2ccc(Cl)cc2)CCCCC1 ZINC000609486932 1042983291 /nfs/dbraw/zinc/98/32/91/1042983291.db2.gz SSPFAKGSTKZDHR-UHFFFAOYSA-N 1 2 327.877 3.898 20 0 EHADLO Cc1ccc(CCc2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000544644276 1042983518 /nfs/dbraw/zinc/98/35/18/1042983518.db2.gz KLHKIBOBNIFRJQ-UHFFFAOYSA-N 1 2 332.407 3.710 20 0 EHADLO CCCC1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000344061284 1043187099 /nfs/dbraw/zinc/18/70/99/1043187099.db2.gz RYZSBDUTZWJAIC-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000344103623 1043260878 /nfs/dbraw/zinc/26/08/78/1043260878.db2.gz FWPJJIFHSNTUGO-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(OCC3CC3)nc2)s1 ZINC000279065593 1043285648 /nfs/dbraw/zinc/28/56/48/1043285648.db2.gz FQZZNFIEBLPSCS-UHFFFAOYSA-N 1 2 331.485 3.914 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](CO)C[C@@H]3C)cs2)cc1 ZINC000344127283 1043296413 /nfs/dbraw/zinc/29/64/13/1043296413.db2.gz JMCOEEHLNDVTRT-JKSUJKDBSA-N 1 2 346.496 3.623 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](CO)C[C@@H]3C)cs2)cc1 ZINC000344127283 1043296418 /nfs/dbraw/zinc/29/64/18/1043296418.db2.gz JMCOEEHLNDVTRT-JKSUJKDBSA-N 1 2 346.496 3.623 20 0 EHADLO CCCn1ncnc1C[NH2+][C@H](CC(C)C)c1ccccc1OCC ZINC000279074359 1043304780 /nfs/dbraw/zinc/30/47/80/1043304780.db2.gz KTQPTSBWIPTVRR-QGZVFWFLSA-N 1 2 330.476 3.964 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000344137189 1043310677 /nfs/dbraw/zinc/31/06/77/1043310677.db2.gz QBLPGSIFGCIKHO-UHFFFAOYSA-N 1 2 339.370 3.590 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)oc1C ZINC000027734904 1043346653 /nfs/dbraw/zinc/34/66/53/1043346653.db2.gz XLCIUVGJFPCKAT-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)ccc2OC)oc1C ZINC000027734904 1043346640 /nfs/dbraw/zinc/34/66/40/1043346640.db2.gz XLCIUVGJFPCKAT-UHFFFAOYSA-N 1 2 337.803 3.669 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000344195266 1043406921 /nfs/dbraw/zinc/40/69/21/1043406921.db2.gz QVLPZIUOWKZDRH-UHFFFAOYSA-N 1 2 332.816 3.758 20 0 EHADLO C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344200212 1043414650 /nfs/dbraw/zinc/41/46/50/1043414650.db2.gz ONMSTKQDMZDZIM-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO COCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](C)c1ccccc1 ZINC000344225529 1043474617 /nfs/dbraw/zinc/47/46/17/1043474617.db2.gz NFFIYRWFVBMVRJ-KRWDZBQOSA-N 1 2 349.434 3.722 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344257489 1043536254 /nfs/dbraw/zinc/53/62/54/1043536254.db2.gz JLEMABQTXRJDCY-ZDUSSCGKSA-N 1 2 332.831 3.559 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344257489 1043536264 /nfs/dbraw/zinc/53/62/64/1043536264.db2.gz JLEMABQTXRJDCY-ZDUSSCGKSA-N 1 2 332.831 3.559 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000728896783 1043542296 /nfs/dbraw/zinc/54/22/96/1043542296.db2.gz LIFOSKNMMQLTKI-UHFFFAOYSA-N 1 2 325.526 3.529 20 0 EHADLO CC(C)n1c(N(C)C)nn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000728896783 1043542306 /nfs/dbraw/zinc/54/23/06/1043542306.db2.gz LIFOSKNMMQLTKI-UHFFFAOYSA-N 1 2 325.526 3.529 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCSCC[C@H]2C)c(Cl)c1 ZINC000279254698 1043660132 /nfs/dbraw/zinc/66/01/32/1043660132.db2.gz LNMKMNLNLGXOJH-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCSCC[C@H]2C)c(Cl)c1 ZINC000279254698 1043660137 /nfs/dbraw/zinc/66/01/37/1043660137.db2.gz LNMKMNLNLGXOJH-CYBMUJFWSA-N 1 2 326.893 3.723 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@@]2(C)CCCc3ccccc32)cs1 ZINC000344321790 1043662375 /nfs/dbraw/zinc/66/23/75/1043662375.db2.gz VUCNBDFFMAHHHT-IBGZPJMESA-N 1 2 343.496 3.857 20 0 EHADLO CCc1cnc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)s1 ZINC000344336636 1043693296 /nfs/dbraw/zinc/69/32/96/1043693296.db2.gz TVENBEFOMNHJNF-UHFFFAOYSA-N 1 2 338.423 3.779 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000162970790 1043863749 /nfs/dbraw/zinc/86/37/49/1043863749.db2.gz WKKJYGXJMOSKKK-OWBHPGMISA-N 1 2 343.858 3.635 20 0 EHADLO Cc1cccc(COC2CC[NH+](CC(=O)c3cccs3)CC2)c1 ZINC001204674023 1043888915 /nfs/dbraw/zinc/88/89/15/1043888915.db2.gz UJMXKUAHTWKSFI-UHFFFAOYSA-N 1 2 329.465 3.920 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000344404058 1043966360 /nfs/dbraw/zinc/96/63/60/1043966360.db2.gz YBBSPZOUOPENRC-LJQANCHMSA-N 1 2 345.446 3.967 20 0 EHADLO CC[C@H](c1nnc(S[C@H](C)[C@H](C)O)n1C1CCCCC1)[NH+](C)C ZINC000446804602 1043993266 /nfs/dbraw/zinc/99/32/66/1043993266.db2.gz UVJJPYWFPMQORF-GZBFAFLISA-N 1 2 340.537 3.657 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(c2ccccc2C)CCCCC1 ZINC000279418224 1044058847 /nfs/dbraw/zinc/05/88/47/1044058847.db2.gz LFHBNARQIIFKFR-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc[nH+]1 ZINC000010162867 1044102143 /nfs/dbraw/zinc/10/21/43/1044102143.db2.gz WHRYNMYQHDSHMX-LLVKDONJSA-N 1 2 335.201 3.559 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2c(F)ccc(Br)c2F)cnn1C ZINC000337312572 1044159048 /nfs/dbraw/zinc/15/90/48/1044159048.db2.gz FJMPDDMWNILMKB-QMMMGPOBSA-N 1 2 344.203 3.620 20 0 EHADLO CCC[N@H+](Cc1ccnn1C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000279564173 1044236365 /nfs/dbraw/zinc/23/63/65/1044236365.db2.gz FLLCPTZFLJCNPQ-MRXNPFEDSA-N 1 2 328.460 3.703 20 0 EHADLO CCC[N@@H+](Cc1ccnn1C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000279564173 1044236387 /nfs/dbraw/zinc/23/63/87/1044236387.db2.gz FLLCPTZFLJCNPQ-MRXNPFEDSA-N 1 2 328.460 3.703 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000279605582 1044297146 /nfs/dbraw/zinc/29/71/46/1044297146.db2.gz YPYJZYBTRROAHR-YJBOKZPZSA-N 1 2 343.496 3.860 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348572541 1044347393 /nfs/dbraw/zinc/34/73/93/1044347393.db2.gz CDBLYIAXLDJQGK-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348572541 1044347405 /nfs/dbraw/zinc/34/74/05/1044347405.db2.gz CDBLYIAXLDJQGK-GFCCVEGCSA-N 1 2 335.810 3.642 20 0 EHADLO O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279641910 1044353265 /nfs/dbraw/zinc/35/32/65/1044353265.db2.gz DBQQLOGWQUYAID-KRWDZBQOSA-N 1 2 342.418 3.515 20 0 EHADLO Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000348572872 1044367303 /nfs/dbraw/zinc/36/73/03/1044367303.db2.gz GEIAIEAPKBDPPR-AWEZNQCLSA-N 1 2 331.464 3.753 20 0 EHADLO CCc1cnc(C[NH2+]Cc2ccc(Br)cc2F)s1 ZINC000230707086 1044389592 /nfs/dbraw/zinc/38/95/92/1044389592.db2.gz PQZPDJKYKQUPQN-UHFFFAOYSA-N 1 2 329.238 3.897 20 0 EHADLO Cc1cn2cc(NC(=O)c3nn(-c4ccc(F)cc4)cc3C)ccc2[nH+]1 ZINC000337819701 1044465297 /nfs/dbraw/zinc/46/52/97/1044465297.db2.gz QCTGPSYDGAPAEO-UHFFFAOYSA-N 1 2 349.369 3.528 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000337925560 1044553708 /nfs/dbraw/zinc/55/37/08/1044553708.db2.gz LDRXCESMEFKYQV-GOSISDBHSA-N 1 2 344.434 3.766 20 0 EHADLO CCS[C@H]1CCCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000112089837 1044579288 /nfs/dbraw/zinc/57/92/88/1044579288.db2.gz PVWWVDZWHGBKGB-HNNXBMFYSA-N 1 2 336.501 3.624 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000112089837 1044579300 /nfs/dbraw/zinc/57/93/00/1044579300.db2.gz PVWWVDZWHGBKGB-HNNXBMFYSA-N 1 2 336.501 3.624 20 0 EHADLO CCOc1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000112272811 1044597565 /nfs/dbraw/zinc/59/75/65/1044597565.db2.gz WVKCNIHPVGXZEN-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc[nH+]1 ZINC000112298207 1044598330 /nfs/dbraw/zinc/59/83/30/1044598330.db2.gz OBZJUJPAWAQENQ-UHFFFAOYSA-N 1 2 330.815 3.730 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CC1CCCCC1 ZINC001167898800 1044715294 /nfs/dbraw/zinc/71/52/94/1044715294.db2.gz RWJWWUQSDMMBML-INIZCTEOSA-N 1 2 329.362 3.830 20 0 EHADLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CC1CCCCC1 ZINC001167898800 1044715309 /nfs/dbraw/zinc/71/53/09/1044715309.db2.gz RWJWWUQSDMMBML-INIZCTEOSA-N 1 2 329.362 3.830 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014418 1044715457 /nfs/dbraw/zinc/71/54/57/1044715457.db2.gz TUNLEOQCPRUICD-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014418 1044715470 /nfs/dbraw/zinc/71/54/70/1044715470.db2.gz TUNLEOQCPRUICD-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)cs1 ZINC000663807721 1044869905 /nfs/dbraw/zinc/86/99/05/1044869905.db2.gz UQGMZTKUGMVAAN-DOMZBBRYSA-N 1 2 329.469 3.871 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)cs1 ZINC000663807722 1044870568 /nfs/dbraw/zinc/87/05/68/1044870568.db2.gz UQGMZTKUGMVAAN-IUODEOHRSA-N 1 2 329.469 3.871 20 0 EHADLO COc1ccc([C@@H]2CCCCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000620413185 1125567138 /nfs/dbraw/zinc/56/71/38/1125567138.db2.gz BBQAAXRCERCOHE-IBGZPJMESA-N 1 2 341.455 3.816 20 0 EHADLO CC[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000620409933 1125569106 /nfs/dbraw/zinc/56/91/06/1125569106.db2.gz KSXBJINPCDXKLP-CQSZACIVSA-N 1 2 337.370 3.532 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N(CCC1CC1)CC1CC1 ZINC000620632454 1125616939 /nfs/dbraw/zinc/61/69/39/1125616939.db2.gz YSSFILRZGKATAE-UHFFFAOYSA-N 1 2 337.467 3.513 20 0 EHADLO CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000620683987 1125643356 /nfs/dbraw/zinc/64/33/56/1125643356.db2.gz YPWZFRUCBJIJIZ-HXUWFJFHSA-N 1 2 345.446 3.733 20 0 EHADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCC(C)(C)CC1 ZINC000153917606 1125674959 /nfs/dbraw/zinc/67/49/59/1125674959.db2.gz NUBZTOSFQYIEPZ-UHFFFAOYSA-N 1 2 344.503 3.792 20 0 EHADLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000154818412 1125758365 /nfs/dbraw/zinc/75/83/65/1125758365.db2.gz HUOCOVBGBOCBBY-INIZCTEOSA-N 1 2 346.906 3.569 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1N(C)c1ccccc1 ZINC000154931293 1125767635 /nfs/dbraw/zinc/76/76/35/1125767635.db2.gz PNPWPYHSEJZSCX-UHFFFAOYSA-N 1 2 348.450 3.813 20 0 EHADLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1cccc(Cl)c1 ZINC000184963730 1126723784 /nfs/dbraw/zinc/72/37/84/1126723784.db2.gz OLXUDPDOECCXGP-MRXNPFEDSA-N 1 2 326.223 3.696 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2CC[C@H](C)[C@@H]2CC)nc1-c1ccncc1 ZINC000184980851 1126730841 /nfs/dbraw/zinc/73/08/41/1126730841.db2.gz KXTFRLDTBGOSOU-HOCLYGCPSA-N 1 2 345.516 3.964 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2CC[C@H](C)[C@@H]2CC)nc1-c1ccncc1 ZINC000184980851 1126730846 /nfs/dbraw/zinc/73/08/46/1126730846.db2.gz KXTFRLDTBGOSOU-HOCLYGCPSA-N 1 2 345.516 3.964 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(Cc3ccccc3)ccc2O)c[nH+]1 ZINC000622667435 1126740622 /nfs/dbraw/zinc/74/06/22/1126740622.db2.gz GIGSNGIPILRLDR-UHFFFAOYSA-N 1 2 346.430 3.925 20 0 EHADLO C[C@H]([NH2+]Cc1nccs1)c1cc(Br)cc(F)c1O ZINC000185087759 1126755383 /nfs/dbraw/zinc/75/53/83/1126755383.db2.gz NJEVNAUTQIAUJM-ZETCQYMHSA-N 1 2 331.210 3.601 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000171834056 1126765620 /nfs/dbraw/zinc/76/56/20/1126765620.db2.gz XKWNVUMGYMCURS-UHFFFAOYSA-N 1 2 346.434 3.607 20 0 EHADLO Cc1cccc([C@H]2CCCCCN2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000172266020 1126787408 /nfs/dbraw/zinc/78/74/08/1126787408.db2.gz QFUPSAXXSZGPIJ-LJQANCHMSA-N 1 2 340.471 3.909 20 0 EHADLO C[C@@H]([NH2+]CCOC1CCCC1)c1cc(Br)cc(F)c1O ZINC000185211868 1126820912 /nfs/dbraw/zinc/82/09/12/1126820912.db2.gz SYYDDSPFRKUDIY-SNVBAGLBSA-N 1 2 346.240 3.904 20 0 EHADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000623120587 1126880208 /nfs/dbraw/zinc/88/02/08/1126880208.db2.gz BTFHDMVHJMHSCR-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000623120587 1126880214 /nfs/dbraw/zinc/88/02/14/1126880214.db2.gz BTFHDMVHJMHSCR-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(C)ccc1OC ZINC000623234779 1126900604 /nfs/dbraw/zinc/90/06/04/1126900604.db2.gz WMPXSNDSUDDGOH-QUCCMNQESA-N 1 2 338.451 3.758 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000623243359 1126904054 /nfs/dbraw/zinc/90/40/54/1126904054.db2.gz LGTXNBRNMWVHFP-OAHLLOKOSA-N 1 2 340.452 3.637 20 0 EHADLO CCC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296095 1126910640 /nfs/dbraw/zinc/91/06/40/1126910640.db2.gz ATXYKWFDTOCVGL-NVXWUHKLSA-N 1 2 331.847 3.551 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C)n1C1CCCCC1 ZINC000623303467 1126911051 /nfs/dbraw/zinc/91/10/51/1126911051.db2.gz CXEPONKBNMPDBF-INIZCTEOSA-N 1 2 340.471 3.551 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)sc2c1 ZINC000623305512 1126911360 /nfs/dbraw/zinc/91/13/60/1126911360.db2.gz UFIUIFGPMWYZKU-LLVKDONJSA-N 1 2 345.855 3.804 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000192520536 1126916960 /nfs/dbraw/zinc/91/69/60/1126916960.db2.gz QURSYYYPORWTOQ-FQEVSTJZSA-N 1 2 327.472 3.819 20 0 EHADLO O=C(NCC[C@H]1CC=CCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000623433406 1126954899 /nfs/dbraw/zinc/95/48/99/1126954899.db2.gz IDRVRXUKACMOOG-KRWDZBQOSA-N 1 2 342.487 3.618 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@](C)(O)Cc3ccccc3)c2)[nH+]c1C ZINC000073045746 1126989753 /nfs/dbraw/zinc/98/97/53/1126989753.db2.gz GGWRXWBOSJFKBB-NRFANRHFSA-N 1 2 349.434 3.626 20 0 EHADLO CC1(C)CCC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000179199963 1127050322 /nfs/dbraw/zinc/05/03/22/1127050322.db2.gz JRKXMLBCLFWTKB-KRWDZBQOSA-N 1 2 330.472 3.674 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccnc1-c1ccccc1 ZINC000179459312 1127065241 /nfs/dbraw/zinc/06/52/41/1127065241.db2.gz CKQOEADVTGDHKT-UHFFFAOYSA-N 1 2 343.390 3.718 20 0 EHADLO COc1ccc2cc([C@H](C)c3nc(Cc4c[nH+]cn4C)no3)ccc2c1 ZINC000350223684 1127067335 /nfs/dbraw/zinc/06/73/35/1127067335.db2.gz WQOZHMFLHICGOB-ZDUSSCGKSA-N 1 2 348.406 3.708 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(OC(F)F)c1 ZINC000179581749 1127072704 /nfs/dbraw/zinc/07/27/04/1127072704.db2.gz KWTCFNRKAWKOJJ-JTQLQIEISA-N 1 2 335.310 3.782 20 0 EHADLO Fc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000351027518 1127132443 /nfs/dbraw/zinc/13/24/43/1127132443.db2.gz RSNWBPIOOYGBGK-XJKSGUPXSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000351027518 1127132446 /nfs/dbraw/zinc/13/24/46/1127132446.db2.gz RSNWBPIOOYGBGK-XJKSGUPXSA-N 1 2 343.358 3.548 20 0 EHADLO C[C@@H](Cc1nc(-c2ccc(OC(C)(C)C)cc2)no1)n1cc[nH+]c1 ZINC000351419710 1127177126 /nfs/dbraw/zinc/17/71/26/1127177126.db2.gz WCEZBPYYNKGUPK-ZDUSSCGKSA-N 1 2 326.400 3.914 20 0 EHADLO COc1cc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)ccc1OC(C)C ZINC000351411717 1127177430 /nfs/dbraw/zinc/17/74/30/1127177430.db2.gz MFQCDGUDUFCRNZ-ZDUSSCGKSA-N 1 2 342.399 3.533 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000763982972 1127179686 /nfs/dbraw/zinc/17/96/86/1127179686.db2.gz IOHPLZXVQXSHDI-UHFFFAOYSA-N 1 2 335.448 3.993 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000180801960 1127187696 /nfs/dbraw/zinc/18/76/96/1127187696.db2.gz DKWMJDSMLBFXCB-GFCCVEGCSA-N 1 2 349.360 3.615 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000180801960 1127187699 /nfs/dbraw/zinc/18/76/99/1127187699.db2.gz DKWMJDSMLBFXCB-GFCCVEGCSA-N 1 2 349.360 3.615 20 0 EHADLO c1coc([C@H](CN[C@H]2CCCc3scnc32)[NH+]2CCCCC2)c1 ZINC000623850686 1127197145 /nfs/dbraw/zinc/19/71/45/1127197145.db2.gz ODDNXUPNJGEFOX-GJZGRUSLSA-N 1 2 331.485 3.930 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3scnc31)O[C@@H](C)C2 ZINC000623859191 1127200009 /nfs/dbraw/zinc/20/00/09/1127200009.db2.gz DZBBDDPYSFSZRP-SMDDNHRTSA-N 1 2 330.453 3.642 20 0 EHADLO Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)c(O[C@@H]2CCOC2)c1 ZINC000623905125 1127212418 /nfs/dbraw/zinc/21/24/18/1127212418.db2.gz RVNNJMVBXAVKFL-HZPDHXFCSA-N 1 2 344.480 3.786 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)n1 ZINC000623978979 1127226954 /nfs/dbraw/zinc/22/69/54/1127226954.db2.gz MBLDETANXXADDP-WBVHZDCISA-N 1 2 339.464 3.705 20 0 EHADLO Cn1cc([C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C(C)(C)C)cn1 ZINC000624028616 1127236934 /nfs/dbraw/zinc/23/69/34/1127236934.db2.gz WUVJLCWSCHWDPL-QGZVFWFLSA-N 1 2 334.427 3.815 20 0 EHADLO Cn1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(C(C)(C)C)n1 ZINC000181011049 1127263984 /nfs/dbraw/zinc/26/39/84/1127263984.db2.gz IATXMPOWVBYNSL-UHFFFAOYSA-N 1 2 325.378 3.767 20 0 EHADLO Cn1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(C(C)(C)C)n1 ZINC000181011049 1127263987 /nfs/dbraw/zinc/26/39/87/1127263987.db2.gz IATXMPOWVBYNSL-UHFFFAOYSA-N 1 2 325.378 3.767 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](CCc2ccccc2)C(F)F)c[nH+]1 ZINC000624178897 1127275688 /nfs/dbraw/zinc/27/56/88/1127275688.db2.gz DRHCCIWPRRJOAV-KRWDZBQOSA-N 1 2 347.409 3.764 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1c(F)cccc1Cl ZINC000181745242 1127293747 /nfs/dbraw/zinc/29/37/47/1127293747.db2.gz QIJOXYALUQBGOQ-ZDUSSCGKSA-N 1 2 334.822 3.788 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1c(C)noc1C ZINC000182478315 1127331675 /nfs/dbraw/zinc/33/16/75/1127331675.db2.gz QHSXLNNCOUNMGO-QGZVFWFLSA-N 1 2 328.391 3.857 20 0 EHADLO Cc1ccc(CCN(CCCn2cc[nH+]c2)CC(F)(F)F)cc1 ZINC000182800397 1127348156 /nfs/dbraw/zinc/34/81/56/1127348156.db2.gz BHRAILWPULYNMA-UHFFFAOYSA-N 1 2 325.378 3.689 20 0 EHADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000182729069 1127345633 /nfs/dbraw/zinc/34/56/33/1127345633.db2.gz XGINMGISVFKCGC-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1C)C2 ZINC000182729069 1127345638 /nfs/dbraw/zinc/34/56/38/1127345638.db2.gz XGINMGISVFKCGC-INIZCTEOSA-N 1 2 338.451 3.697 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000186143639 1127351411 /nfs/dbraw/zinc/35/14/11/1127351411.db2.gz JNLOLPWVVOKQPP-GXSJLCMTSA-N 1 2 348.256 3.742 20 0 EHADLO COc1ccc(Cl)cc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182876311 1127351613 /nfs/dbraw/zinc/35/16/13/1127351613.db2.gz VOKIBPIFGYLAAO-CYBMUJFWSA-N 1 2 347.846 3.753 20 0 EHADLO Fc1cccc2c1SCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182873176 1127351693 /nfs/dbraw/zinc/35/16/93/1127351693.db2.gz SQEKFYVBTXNMCC-MRXNPFEDSA-N 1 2 345.443 3.706 20 0 EHADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000182911630 1127353553 /nfs/dbraw/zinc/35/35/53/1127353553.db2.gz SAHXMMUUFLYVRK-GFCCVEGCSA-N 1 2 325.343 3.913 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000183199298 1127367371 /nfs/dbraw/zinc/36/73/71/1127367371.db2.gz UGQGQSJIIZWIKK-VFNWGFHPSA-N 1 2 343.279 3.598 20 0 EHADLO CN(C)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)n1 ZINC000183814418 1127387445 /nfs/dbraw/zinc/38/74/45/1127387445.db2.gz SZIAXFDAUOGZOR-HXUWFJFHSA-N 1 2 336.414 3.561 20 0 EHADLO c1coc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)c1 ZINC000183881062 1127388686 /nfs/dbraw/zinc/38/86/86/1127388686.db2.gz FQTBHRIBHBIHPC-HXUWFJFHSA-N 1 2 335.407 3.713 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1nc(-c2ccccc2)cs1 ZINC000184526189 1127407966 /nfs/dbraw/zinc/40/79/66/1127407966.db2.gz HGHUJOQYOHPLNR-LLVKDONJSA-N 1 2 344.465 3.556 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1)c1ccccc1 ZINC000184746133 1127412393 /nfs/dbraw/zinc/41/23/93/1127412393.db2.gz OFGVLACGOCOOCI-MSOLQXFVSA-N 1 2 344.455 3.523 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)cc(C)c2)o1 ZINC000184837640 1127414508 /nfs/dbraw/zinc/41/45/08/1127414508.db2.gz ASOQXKLGKLBSQU-CRAIPNDOSA-N 1 2 344.455 3.763 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)N(CC)c2ccccc2)o1 ZINC000184857300 1127415143 /nfs/dbraw/zinc/41/51/43/1127415143.db2.gz MGDXEPPJDZINJL-CRAIPNDOSA-N 1 2 344.455 3.561 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000185027031 1127418676 /nfs/dbraw/zinc/41/86/76/1127418676.db2.gz UHOAIXVWFSKABP-SUMWQHHRSA-N 1 2 349.475 3.755 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000185027009 1127418848 /nfs/dbraw/zinc/41/88/48/1127418848.db2.gz UHOAIXVWFSKABP-CXAGYDPISA-N 1 2 349.475 3.755 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000193378653 1127436792 /nfs/dbraw/zinc/43/67/92/1127436792.db2.gz FUTQYHWRQUOVTA-UHFFFAOYSA-N 1 2 342.468 3.899 20 0 EHADLO Clc1cc(I)ccc1CNc1cccc[nH+]1 ZINC000381857246 1127494329 /nfs/dbraw/zinc/49/43/29/1127494329.db2.gz VFBXXGGFBGIVBE-UHFFFAOYSA-N 1 2 344.583 3.952 20 0 EHADLO CC(C)c1ccc(CC2CC[NH+](Cn3ccsc3=O)CC2)cc1 ZINC000764951361 1127556592 /nfs/dbraw/zinc/55/65/92/1127556592.db2.gz RUCUPLMODSIOHX-UHFFFAOYSA-N 1 2 330.497 3.945 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCOCC[C@H]1C ZINC000764993810 1127561429 /nfs/dbraw/zinc/56/14/29/1127561429.db2.gz LNKAPLXESUUIKA-CYBMUJFWSA-N 1 2 342.277 3.849 20 0 EHADLO CCCOc1ccc(Br)cc1C[N@H+]1CCOCC[C@H]1C ZINC000764993810 1127561432 /nfs/dbraw/zinc/56/14/32/1127561432.db2.gz LNKAPLXESUUIKA-CYBMUJFWSA-N 1 2 342.277 3.849 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCCC[C@@H]2C)nc1-c1cccnc1 ZINC000765013124 1127563130 /nfs/dbraw/zinc/56/31/30/1127563130.db2.gz NJVCXCFLVUROCQ-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCCC[C@@H]2C)nc1-c1cccnc1 ZINC000765013124 1127563132 /nfs/dbraw/zinc/56/31/32/1127563132.db2.gz NJVCXCFLVUROCQ-AWEZNQCLSA-N 1 2 331.489 3.718 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032310 1127565215 /nfs/dbraw/zinc/56/52/15/1127565215.db2.gz UPTTXUQIBUMCDN-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000765032310 1127565217 /nfs/dbraw/zinc/56/52/17/1127565217.db2.gz UPTTXUQIBUMCDN-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(N(C)C)[nH+]1 ZINC000749987382 1127568713 /nfs/dbraw/zinc/56/87/13/1127568713.db2.gz QWFYUFVLIMRWMG-UHFFFAOYSA-N 1 2 339.317 3.607 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000765310764 1127595537 /nfs/dbraw/zinc/59/55/37/1127595537.db2.gz MRKKKRAYQLMMJU-NVXWUHKLSA-N 1 2 338.373 3.624 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000765310764 1127595540 /nfs/dbraw/zinc/59/55/40/1127595540.db2.gz MRKKKRAYQLMMJU-NVXWUHKLSA-N 1 2 338.373 3.624 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000765315714 1127595947 /nfs/dbraw/zinc/59/59/47/1127595947.db2.gz JJDOFHPSUOAJSQ-SFAKSCPVSA-N 1 2 332.494 3.728 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000765316800 1127596001 /nfs/dbraw/zinc/59/60/01/1127596001.db2.gz WFHJNEYQDIEADI-IYKSTZQJSA-N 1 2 344.455 3.806 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666913 1127699292 /nfs/dbraw/zinc/69/92/92/1127699292.db2.gz JFCRMJONFBQGSF-CYBMUJFWSA-N 1 2 348.393 3.995 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023666913 1127699295 /nfs/dbraw/zinc/69/92/95/1127699295.db2.gz JFCRMJONFBQGSF-CYBMUJFWSA-N 1 2 348.393 3.995 20 0 EHADLO O=C(Cc1c(F)cccc1Cl)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889599 1127700782 /nfs/dbraw/zinc/70/07/82/1127700782.db2.gz HOLNAFIJSRKJIT-UHFFFAOYSA-N 1 2 329.762 3.846 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@H]1C ZINC001127940658 1127740536 /nfs/dbraw/zinc/74/05/36/1127740536.db2.gz FVWAGYHCBFHAQJ-FPAYPSAMSA-N 1 2 346.540 3.717 20 0 EHADLO CC[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000026217371 1127770585 /nfs/dbraw/zinc/77/05/85/1127770585.db2.gz XKTFCIFPTCTWRK-FQEVSTJZSA-N 1 2 347.462 3.784 20 0 EHADLO CCc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338552067 1127802693 /nfs/dbraw/zinc/80/26/93/1127802693.db2.gz NPLCGGQOTWPLOR-WOJBJXKFSA-N 1 2 345.446 3.855 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000029913969 1127810753 /nfs/dbraw/zinc/81/07/53/1127810753.db2.gz TXMCHMYEKRBYOZ-HIFRSBDPSA-N 1 2 344.484 3.505 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000029917108 1127811001 /nfs/dbraw/zinc/81/10/01/1127811001.db2.gz CYWSQVBIDQRAOZ-UHFFFAOYSA-N 1 2 339.420 3.844 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000029907835 1127811049 /nfs/dbraw/zinc/81/10/49/1127811049.db2.gz AWNONCRGISGTRD-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000030584892 1127821569 /nfs/dbraw/zinc/82/15/69/1127821569.db2.gz MMNASBYBWWZHOA-UHFFFAOYSA-N 1 2 325.799 3.515 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000041220538 1127873514 /nfs/dbraw/zinc/87/35/14/1127873514.db2.gz KYTLEZOHFIESLR-PXNSSMCTSA-N 1 2 348.450 3.555 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000041178743 1127873782 /nfs/dbraw/zinc/87/37/82/1127873782.db2.gz LXKLBRIYNOSUFU-RDJZCZTQSA-N 1 2 328.460 3.748 20 0 EHADLO CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1Cl ZINC000042157361 1127887184 /nfs/dbraw/zinc/88/71/84/1127887184.db2.gz SFMFWFHLQFEOIQ-UHFFFAOYSA-N 1 2 348.899 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1Cl ZINC000042157361 1127887189 /nfs/dbraw/zinc/88/71/89/1127887189.db2.gz SFMFWFHLQFEOIQ-UHFFFAOYSA-N 1 2 348.899 3.808 20 0 EHADLO Cc1ccccc1COc1ccccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042534080 1127893367 /nfs/dbraw/zinc/89/33/67/1127893367.db2.gz PNOMBTAERXSTDL-QGZVFWFLSA-N 1 2 349.434 3.589 20 0 EHADLO CC(C)(C)c1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000338619364 1127913820 /nfs/dbraw/zinc/91/38/20/1127913820.db2.gz QQEKIVFRUHXNQS-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO C[C@H]1CCC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000043500022 1127920882 /nfs/dbraw/zinc/92/08/82/1127920882.db2.gz IMVDFFCUQPYFIE-KBPBESRZSA-N 1 2 336.505 3.829 20 0 EHADLO CC(C)Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000044206733 1127932632 /nfs/dbraw/zinc/93/26/32/1127932632.db2.gz ZJVKYFMVGLVRKT-UHFFFAOYSA-N 1 2 348.834 3.756 20 0 EHADLO O=C(Nc1cccc(OC(F)F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045790425 1127960086 /nfs/dbraw/zinc/96/00/86/1127960086.db2.gz IZFZMHNFYHZVHV-UHFFFAOYSA-N 1 2 343.333 3.785 20 0 EHADLO CCCCc1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914045 1127963397 /nfs/dbraw/zinc/96/33/97/1127963397.db2.gz PXJYFTXGUOSLET-HNAYVOBHSA-N 1 2 343.471 3.919 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2ccc(Cc3ccncc3)cc2)c1 ZINC001212360145 1127980059 /nfs/dbraw/zinc/98/00/59/1127980059.db2.gz LSQRSZLLAUAKSB-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO c1ccc(-c2ccccc2Nc2ccc[nH+]c2N2CCOCC2)nc1 ZINC001212359930 1127980462 /nfs/dbraw/zinc/98/04/62/1127980462.db2.gz DJSKKCVUAMRIBU-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000084060715 1127986525 /nfs/dbraw/zinc/98/65/25/1127986525.db2.gz CJEWKPUJNBHJGQ-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000084060715 1127986528 /nfs/dbraw/zinc/98/65/28/1127986528.db2.gz CJEWKPUJNBHJGQ-UHFFFAOYSA-N 1 2 331.794 3.533 20 0 EHADLO c1c[nH+]c(N2CCOCC2)c(Nc2cccc(-c3ccncc3)c2)c1 ZINC001212362893 1128004479 /nfs/dbraw/zinc/00/44/79/1128004479.db2.gz UASPAQSWHJTIPL-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO c1csc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)n1 ZINC001212363001 1128009115 /nfs/dbraw/zinc/00/91/15/1128009115.db2.gz ZIZHOCCZXSGEDX-UHFFFAOYSA-N 1 2 338.436 3.785 20 0 EHADLO COc1ccc2nc(NCCCCNc3cccc[nH+]3)c(C)nc2c1 ZINC000338661973 1128010943 /nfs/dbraw/zinc/01/09/43/1128010943.db2.gz CWXADPVJVYWEMJ-UHFFFAOYSA-N 1 2 337.427 3.646 20 0 EHADLO c1ccc(Cc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)nc1 ZINC001212364858 1128030106 /nfs/dbraw/zinc/03/01/06/1128030106.db2.gz WNSGSZZIUUYZIZ-UHFFFAOYSA-N 1 2 346.434 3.648 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)ccn1 ZINC000347544471 1128064642 /nfs/dbraw/zinc/06/46/42/1128064642.db2.gz SZCDDZNUZZNQTM-NSHDSACASA-N 1 2 344.802 3.644 20 0 EHADLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(O)c1 ZINC000282255818 1128132824 /nfs/dbraw/zinc/13/28/24/1128132824.db2.gz JSGZROQEBJYBPH-ZNMIVQPWSA-N 1 2 327.428 3.574 20 0 EHADLO O=C(CCCOc1cccc2ccccc21)NCCNc1cccc[nH+]1 ZINC000063704755 1128152902 /nfs/dbraw/zinc/15/29/02/1128152902.db2.gz YDLNIROZDDNDKJ-UHFFFAOYSA-N 1 2 349.434 3.622 20 0 EHADLO CC1(C)CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000063789029 1128156832 /nfs/dbraw/zinc/15/68/32/1128156832.db2.gz JFCXQIGCSFXXIY-GOSISDBHSA-N 1 2 340.471 3.775 20 0 EHADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccn(-c2cccc(F)c2)n1 ZINC000671739406 1128175901 /nfs/dbraw/zinc/17/59/01/1128175901.db2.gz LCFPFEFXBMRSRO-UHFFFAOYSA-N 1 2 328.391 3.641 20 0 EHADLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)[nH]1 ZINC000671762240 1128252533 /nfs/dbraw/zinc/25/25/33/1128252533.db2.gz MHIUBWOWUWMNDH-AXFHLTTASA-N 1 2 329.404 3.577 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)NCC(C)C)c2)no1 ZINC000066829080 1128228420 /nfs/dbraw/zinc/22/84/20/1128228420.db2.gz NDNFKCXOTNISPI-LJQANCHMSA-N 1 2 341.455 3.706 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)NCC(C)C)c2)no1 ZINC000066829080 1128228424 /nfs/dbraw/zinc/22/84/24/1128228424.db2.gz NDNFKCXOTNISPI-LJQANCHMSA-N 1 2 341.455 3.706 20 0 EHADLO CCCc1noc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067400552 1128240623 /nfs/dbraw/zinc/24/06/23/1128240623.db2.gz DHUCRHUAPHYTMT-GOSISDBHSA-N 1 2 349.862 3.621 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000067401050 1128240894 /nfs/dbraw/zinc/24/08/94/1128240894.db2.gz WOPQPMFZOFLDTI-SJKOYZFVSA-N 1 2 349.862 3.792 20 0 EHADLO Cc1c2ccccc2oc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000073171650 1128317875 /nfs/dbraw/zinc/31/78/75/1128317875.db2.gz GWOOVBXBUIVFRU-UHFFFAOYSA-N 1 2 345.402 3.916 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715361 1128327629 /nfs/dbraw/zinc/32/76/29/1128327629.db2.gz UPVNPUFCOTZUGF-WMZOPIPTSA-N 1 2 344.503 3.661 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1cccc(Cl)c1SCC(F)F ZINC000073845535 1128329675 /nfs/dbraw/zinc/32/96/75/1128329675.db2.gz LKNJONFVFYTCGW-UHFFFAOYSA-N 1 2 331.775 3.532 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)no1 ZINC000074144168 1128335609 /nfs/dbraw/zinc/33/56/09/1128335609.db2.gz PKLGCUZKGAQUDW-AWEZNQCLSA-N 1 2 348.406 3.532 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2cccc(Cl)c2o1 ZINC000084581259 1128351333 /nfs/dbraw/zinc/35/13/33/1128351333.db2.gz LJRIWMLMOVENPL-UHFFFAOYSA-N 1 2 343.814 3.592 20 0 EHADLO CC1(C)C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C(C)(C)O1 ZINC000624449049 1128365117 /nfs/dbraw/zinc/36/51/17/1128365117.db2.gz YRFXNFZBNDDMSZ-CYBMUJFWSA-N 1 2 331.391 3.544 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000671824781 1128397258 /nfs/dbraw/zinc/39/72/58/1128397258.db2.gz OBQQTOQIMADGKC-UHFFFAOYSA-N 1 2 329.469 3.609 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785441581 1128410715 /nfs/dbraw/zinc/41/07/15/1128410715.db2.gz LFKFBHMOXIQVKN-NWDGAFQWSA-N 1 2 328.403 3.871 20 0 EHADLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785441581 1128410717 /nfs/dbraw/zinc/41/07/17/1128410717.db2.gz LFKFBHMOXIQVKN-NWDGAFQWSA-N 1 2 328.403 3.871 20 0 EHADLO Cc1cnc(Cl)c(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1 ZINC000921647879 1128428561 /nfs/dbraw/zinc/42/85/61/1128428561.db2.gz BQJSBGIBTABLEQ-HNNXBMFYSA-N 1 2 329.835 3.573 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(O)c2ccccc2c1 ZINC000352711678 1128429064 /nfs/dbraw/zinc/42/90/64/1128429064.db2.gz XOESNSCBELQLPC-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@@H](C)[C@H]3CCCO3)cc2)[nH+]c1C ZINC000921655318 1128437479 /nfs/dbraw/zinc/43/74/79/1128437479.db2.gz QMYIAMTYGJPYES-SJKOYZFVSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CCCC(=O)C3CC3)cc2)[nH+]c1C ZINC000921657646 1128438490 /nfs/dbraw/zinc/43/84/90/1128438490.db2.gz XKNNLSXBJHFLOU-UHFFFAOYSA-N 1 2 325.412 3.781 20 0 EHADLO COC(=O)CC(C)(C)CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921664300 1128441818 /nfs/dbraw/zinc/44/18/18/1128441818.db2.gz YOKWCEKFFNCPFJ-UHFFFAOYSA-N 1 2 343.427 3.611 20 0 EHADLO C[C@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CO1 ZINC000347629577 1128456143 /nfs/dbraw/zinc/45/61/43/1128456143.db2.gz CABRPPMOZKFMGX-STQMWFEESA-N 1 2 339.361 3.500 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CO1 ZINC000347629577 1128456145 /nfs/dbraw/zinc/45/61/45/1128456145.db2.gz CABRPPMOZKFMGX-STQMWFEESA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H](C)CO1 ZINC000347629574 1128456379 /nfs/dbraw/zinc/45/63/79/1128456379.db2.gz CABRPPMOZKFMGX-CHWSQXEVSA-N 1 2 339.361 3.500 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H](C)CO1 ZINC000347629574 1128456381 /nfs/dbraw/zinc/45/63/81/1128456381.db2.gz CABRPPMOZKFMGX-CHWSQXEVSA-N 1 2 339.361 3.500 20 0 EHADLO CC[C@@H](NC(=O)NCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000465642519 1128543855 /nfs/dbraw/zinc/54/38/55/1128543855.db2.gz YKQWZXAVZNDIFN-QGZVFWFLSA-N 1 2 340.471 3.549 20 0 EHADLO FC(F)(F)c1cc(-c2ccccc2)nnc1NCCCn1cc[nH+]c1 ZINC001116464702 1128556350 /nfs/dbraw/zinc/55/63/50/1128556350.db2.gz AIPOQVVBSBXCSI-UHFFFAOYSA-N 1 2 347.344 3.861 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000057372946 1128633681 /nfs/dbraw/zinc/63/36/81/1128633681.db2.gz MPMZHWHOYGKGSL-QGZVFWFLSA-N 1 2 346.862 3.863 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586378 1128665823 /nfs/dbraw/zinc/66/58/23/1128665823.db2.gz CRQZRFUQSJYSEE-OLZOCXBDSA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586378 1128665825 /nfs/dbraw/zinc/66/58/25/1128665825.db2.gz CRQZRFUQSJYSEE-OLZOCXBDSA-N 1 2 344.377 3.687 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000475116090 1128680072 /nfs/dbraw/zinc/68/00/72/1128680072.db2.gz IRLGLNSBBBSCFY-HKUYNNGSSA-N 1 2 330.472 3.674 20 0 EHADLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccccc2)o1 ZINC000303723086 1128690577 /nfs/dbraw/zinc/69/05/77/1128690577.db2.gz BKROXJMOIMNBSH-SFHVURJKSA-N 1 2 347.480 3.979 20 0 EHADLO Cc1ccc([C@@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccccc2)o1 ZINC000303723086 1128690580 /nfs/dbraw/zinc/69/05/80/1128690580.db2.gz BKROXJMOIMNBSH-SFHVURJKSA-N 1 2 347.480 3.979 20 0 EHADLO O=C(Nc1ncc(-c2ccccc2F)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000338706229 1128725317 /nfs/dbraw/zinc/72/53/17/1128725317.db2.gz LSNKAXRKMFRKJC-AWEZNQCLSA-N 1 2 331.416 3.515 20 0 EHADLO O=C(Nc1ncc(-c2ccccc2F)s1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000338706229 1128725321 /nfs/dbraw/zinc/72/53/21/1128725321.db2.gz LSNKAXRKMFRKJC-AWEZNQCLSA-N 1 2 331.416 3.515 20 0 EHADLO CCc1nc([C@@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cs1 ZINC000265738507 1128733112 /nfs/dbraw/zinc/73/31/12/1128733112.db2.gz VCJRIBRJNPKUJJ-LLVKDONJSA-N 1 2 329.429 3.544 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC1CCCCC1)c1ccccc1 ZINC000073428051 1128767248 /nfs/dbraw/zinc/76/72/48/1128767248.db2.gz FTEDWGDJSPTTLJ-SFHVURJKSA-N 1 2 340.471 3.583 20 0 EHADLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000265756271 1128776703 /nfs/dbraw/zinc/77/67/03/1128776703.db2.gz IYZNIYFTJYXJTE-HZMBPMFUSA-N 1 2 335.860 3.561 20 0 EHADLO CC[NH2+]Cc1noc(CSc2ccc(Br)cc2C)n1 ZINC000843145251 1128796891 /nfs/dbraw/zinc/79/68/91/1128796891.db2.gz ZHHHJMLVJWASGM-UHFFFAOYSA-N 1 2 342.262 3.542 20 0 EHADLO Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672144888 1128797535 /nfs/dbraw/zinc/79/75/35/1128797535.db2.gz LNDIPNPKMYVWDA-QGZVFWFLSA-N 1 2 346.434 3.680 20 0 EHADLO Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153915 1128816177 /nfs/dbraw/zinc/81/61/77/1128816177.db2.gz FPIFVYKUXLYIJY-MRXNPFEDSA-N 1 2 347.418 3.729 20 0 EHADLO Cc1ccsc1CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000338746953 1128825575 /nfs/dbraw/zinc/82/55/75/1128825575.db2.gz YIQWWBAZSCOQOD-UHFFFAOYSA-N 1 2 339.464 3.502 20 0 EHADLO CCc1ccc(-c2nc(C[N@@H+](C)CCn3cccn3)cs2)cc1 ZINC000111281965 1128857629 /nfs/dbraw/zinc/85/76/29/1128857629.db2.gz UBDYOTZJEIICGC-UHFFFAOYSA-N 1 2 326.469 3.701 20 0 EHADLO CCc1ccc(-c2nc(C[N@H+](C)CCn3cccn3)cs2)cc1 ZINC000111281965 1128857626 /nfs/dbraw/zinc/85/76/26/1128857626.db2.gz UBDYOTZJEIICGC-UHFFFAOYSA-N 1 2 326.469 3.701 20 0 EHADLO COc1c(Br)cccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672232622 1128862907 /nfs/dbraw/zinc/86/29/07/1128862907.db2.gz GBJWRFAOCWIRCD-UHFFFAOYSA-N 1 2 332.201 3.946 20 0 EHADLO FC(F)n1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000347672447 1128876727 /nfs/dbraw/zinc/87/67/27/1128876727.db2.gz CVWDRPTXPLHIIV-QGZVFWFLSA-N 1 2 335.398 3.502 20 0 EHADLO FC(F)n1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000347672447 1128876734 /nfs/dbraw/zinc/87/67/34/1128876734.db2.gz CVWDRPTXPLHIIV-QGZVFWFLSA-N 1 2 335.398 3.502 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cs1 ZINC000111406813 1120017852 /nfs/dbraw/zinc/01/78/52/1120017852.db2.gz DJOLIQHHGLLLLQ-LLVKDONJSA-N 1 2 336.457 3.582 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C2CCCC2)C1 ZINC001648806666 1120044421 /nfs/dbraw/zinc/04/44/21/1120044421.db2.gz MRKVBROVKRMASN-IBGZPJMESA-N 1 2 337.467 3.844 20 0 EHADLO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc(-c2cccs2)s1 ZINC001648854666 1120055549 /nfs/dbraw/zinc/05/55/49/1120055549.db2.gz DXJNVWYJTRYLNO-LBPRGKRZSA-N 1 2 332.494 3.785 20 0 EHADLO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc(-c2cccs2)s1 ZINC001648854666 1120055553 /nfs/dbraw/zinc/05/55/53/1120055553.db2.gz DXJNVWYJTRYLNO-LBPRGKRZSA-N 1 2 332.494 3.785 20 0 EHADLO COCCOc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001648895585 1120063404 /nfs/dbraw/zinc/06/34/04/1120063404.db2.gz UMPGTOXZJWWUGW-UHFFFAOYSA-N 1 2 338.407 3.657 20 0 EHADLO O=C(CNc1ccccc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000063646217 1128890916 /nfs/dbraw/zinc/89/09/16/1128890916.db2.gz RKBBKTXUFBRATD-UHFFFAOYSA-N 1 2 326.787 3.576 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000007926844 1128893107 /nfs/dbraw/zinc/89/31/07/1128893107.db2.gz CCMZHZCHKLTKQJ-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000007926844 1128893110 /nfs/dbraw/zinc/89/31/10/1128893110.db2.gz CCMZHZCHKLTKQJ-UHFFFAOYSA-N 1 2 344.358 3.717 20 0 EHADLO CCc1nnc(N2C[C@H](C)C[C@H]2CC)n1CCCc1cccc(C)[nH+]1 ZINC001709060222 1120178140 /nfs/dbraw/zinc/17/81/40/1120178140.db2.gz QXTUJSQYTFDQJR-CRAIPNDOSA-N 1 2 341.503 3.802 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338762511 1128897315 /nfs/dbraw/zinc/89/73/15/1128897315.db2.gz UZIHUSPDPBUFRJ-CQSZACIVSA-N 1 2 329.469 3.605 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338764400 1128905518 /nfs/dbraw/zinc/90/55/18/1128905518.db2.gz VQVFDCZOGKYXTO-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO C=COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001670831605 1120324797 /nfs/dbraw/zinc/32/47/97/1120324797.db2.gz OESGETQTOYDXEQ-UHFFFAOYSA-N 1 2 334.379 3.716 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001687423730 1120336198 /nfs/dbraw/zinc/33/61/98/1120336198.db2.gz DSXCBCOIYAHVQC-MJGOQNOKSA-N 1 2 340.471 3.846 20 0 EHADLO Clc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c2ccccc2n1 ZINC000829261166 1120373191 /nfs/dbraw/zinc/37/31/91/1120373191.db2.gz IWQMUJKDYFUHHZ-KRWDZBQOSA-N 1 2 334.872 3.596 20 0 EHADLO Clc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c2ccccc2n1 ZINC000829261166 1120373197 /nfs/dbraw/zinc/37/31/97/1120373197.db2.gz IWQMUJKDYFUHHZ-KRWDZBQOSA-N 1 2 334.872 3.596 20 0 EHADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185242994 1120405163 /nfs/dbraw/zinc/40/51/63/1120405163.db2.gz TWDUDEYGJOBQQE-UHFFFAOYSA-N 1 2 343.390 3.619 20 0 EHADLO CCC1(CC)C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[S@@]1=O ZINC000185267625 1120406666 /nfs/dbraw/zinc/40/66/66/1120406666.db2.gz HCXFHSXMPYAIRQ-DEOSSOPVSA-N 1 2 349.540 3.938 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[S@@]1=O ZINC000185267625 1120406668 /nfs/dbraw/zinc/40/66/68/1120406668.db2.gz HCXFHSXMPYAIRQ-DEOSSOPVSA-N 1 2 349.540 3.938 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2s1)c1nnc2ccccn21 ZINC000347674018 1128915752 /nfs/dbraw/zinc/91/57/52/1128915752.db2.gz MSNBJUJSCHNYIQ-QGZVFWFLSA-N 1 2 337.452 3.826 20 0 EHADLO OCC[N@H+](Cc1ncc(-c2ccccc2)s1)Cc1cccc(F)c1 ZINC000494258539 1120516517 /nfs/dbraw/zinc/51/65/17/1120516517.db2.gz ATNZMWXXMNXNLK-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO OCC[N@@H+](Cc1ncc(-c2ccccc2)s1)Cc1cccc(F)c1 ZINC000494258539 1120516520 /nfs/dbraw/zinc/51/65/20/1120516520.db2.gz ATNZMWXXMNXNLK-UHFFFAOYSA-N 1 2 342.439 3.944 20 0 EHADLO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000494267800 1120525160 /nfs/dbraw/zinc/52/51/60/1120525160.db2.gz JQKBMCVQWRLBDD-UVTDQMKNSA-N 1 2 344.484 3.635 20 0 EHADLO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000494267800 1120525162 /nfs/dbraw/zinc/52/51/62/1120525162.db2.gz JQKBMCVQWRLBDD-UVTDQMKNSA-N 1 2 344.484 3.635 20 0 EHADLO CO[C@@H]1C[N@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@@H]1C ZINC000189320900 1120577207 /nfs/dbraw/zinc/57/72/07/1120577207.db2.gz LQJOXTCLBIGAQP-MAUKXSAKSA-N 1 2 346.496 3.887 20 0 EHADLO CO[C@@H]1C[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)CC[C@@H]1C ZINC000189320900 1120577213 /nfs/dbraw/zinc/57/72/13/1120577213.db2.gz LQJOXTCLBIGAQP-MAUKXSAKSA-N 1 2 346.496 3.887 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ncc(Br)cc3C)n2c1 ZINC000189341114 1120578803 /nfs/dbraw/zinc/57/88/03/1120578803.db2.gz QKORNHSDABKEHX-UHFFFAOYSA-N 1 2 331.217 3.721 20 0 EHADLO FC(F)C(F)(F)COCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000189788583 1120611832 /nfs/dbraw/zinc/61/18/32/1120611832.db2.gz LWEKTPWDBLSIJU-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO FC(F)C(F)(F)COCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000189788583 1120611834 /nfs/dbraw/zinc/61/18/34/1120611834.db2.gz LWEKTPWDBLSIJU-UHFFFAOYSA-N 1 2 325.733 3.615 20 0 EHADLO Cn1ccc2cccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)c21 ZINC000190041564 1120622670 /nfs/dbraw/zinc/62/26/70/1120622670.db2.gz VNFMKSVJWMTXIF-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191236064 1120665232 /nfs/dbraw/zinc/66/52/32/1120665232.db2.gz KTWJQLOABGVDGY-AWEZNQCLSA-N 1 2 330.394 3.602 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191236064 1120665233 /nfs/dbraw/zinc/66/52/33/1120665233.db2.gz KTWJQLOABGVDGY-AWEZNQCLSA-N 1 2 330.394 3.602 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000191808715 1120696627 /nfs/dbraw/zinc/69/66/27/1120696627.db2.gz UBVJWMYZDMETQU-MFKMUULPSA-N 1 2 347.789 3.572 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000191808715 1120696629 /nfs/dbraw/zinc/69/66/29/1120696629.db2.gz UBVJWMYZDMETQU-MFKMUULPSA-N 1 2 347.789 3.572 20 0 EHADLO Cc1cc(OCC(=O)Nc2ccc(F)cc2F)c2ccccc2[nH+]1 ZINC000192193354 1120724541 /nfs/dbraw/zinc/72/45/41/1120724541.db2.gz QEWCTUNBPMNTCW-UHFFFAOYSA-N 1 2 328.318 3.839 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(C)cc1 ZINC000192257464 1120727840 /nfs/dbraw/zinc/72/78/40/1120727840.db2.gz QFRKIMSXUIUYKV-UHFFFAOYSA-N 1 2 327.472 3.625 20 0 EHADLO Fc1ccccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000192592652 1120739559 /nfs/dbraw/zinc/73/95/59/1120739559.db2.gz HXVMPLDGNAOVLD-UHFFFAOYSA-N 1 2 336.357 3.749 20 0 EHADLO COc1ccc2[nH]cc(CC(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000193368597 1120773479 /nfs/dbraw/zinc/77/34/79/1120773479.db2.gz NAAFUKYBVRAPJJ-UHFFFAOYSA-N 1 2 346.390 3.543 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000195518712 1120789767 /nfs/dbraw/zinc/78/97/67/1120789767.db2.gz UYCFTOILFQPHQI-INIZCTEOSA-N 1 2 342.487 3.701 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000195518712 1120789768 /nfs/dbraw/zinc/78/97/68/1120789768.db2.gz UYCFTOILFQPHQI-INIZCTEOSA-N 1 2 342.487 3.701 20 0 EHADLO Clc1cc(N[C@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000194160359 1120825467 /nfs/dbraw/zinc/82/54/67/1120825467.db2.gz PONHFHSYEYLYDP-XOKHGSTOSA-N 1 2 329.831 3.895 20 0 EHADLO CC(=O)c1cccc(O[C@H](C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000194426786 1120843436 /nfs/dbraw/zinc/84/34/36/1120843436.db2.gz OQGQRHQTITYEMC-OAHLLOKOSA-N 1 2 326.396 3.615 20 0 EHADLO COc1ccc(Br)c(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000227846643 1120919503 /nfs/dbraw/zinc/91/95/03/1120919503.db2.gz JWLKMPGZYJVWSL-UHFFFAOYSA-N 1 2 336.233 3.531 20 0 EHADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000495007633 1120930079 /nfs/dbraw/zinc/93/00/79/1120930079.db2.gz VNMOTRHNIWQOMB-INIZCTEOSA-N 1 2 334.379 3.656 20 0 EHADLO COc1ccc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c(Cl)c1 ZINC000495050854 1120938659 /nfs/dbraw/zinc/93/86/59/1120938659.db2.gz VRBNYJZHKDQTNT-QGZVFWFLSA-N 1 2 348.878 3.920 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433195851 1120941431 /nfs/dbraw/zinc/94/14/31/1120941431.db2.gz ZEABXWLDFNMKCD-MLGOLLRUSA-N 1 2 334.261 3.766 20 0 EHADLO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433195851 1120941435 /nfs/dbraw/zinc/94/14/35/1120941435.db2.gz ZEABXWLDFNMKCD-MLGOLLRUSA-N 1 2 334.261 3.766 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377340 1121002533 /nfs/dbraw/zinc/00/25/33/1121002533.db2.gz JCLVAVAGENWFFD-GHMZBOCLSA-N 1 2 348.231 3.853 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000230377340 1121002537 /nfs/dbraw/zinc/00/25/37/1121002537.db2.gz JCLVAVAGENWFFD-GHMZBOCLSA-N 1 2 348.231 3.853 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000232398793 1121112192 /nfs/dbraw/zinc/11/21/92/1121112192.db2.gz YEBWXHUPCZQWHO-JCOFBHIZSA-N 1 2 329.227 3.558 20 0 EHADLO CCC[C@](C)([NH2+]CCCOc1ccc2ccccc2c1)C(=O)OC ZINC000303371150 1121141395 /nfs/dbraw/zinc/14/13/95/1121141395.db2.gz LLMNXESGWHWIEM-FQEVSTJZSA-N 1 2 329.440 3.930 20 0 EHADLO C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000303917766 1121194052 /nfs/dbraw/zinc/19/40/52/1121194052.db2.gz OAOSKZWJSZDTDQ-KUHUBIRLSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000303917766 1121194055 /nfs/dbraw/zinc/19/40/55/1121194055.db2.gz OAOSKZWJSZDTDQ-KUHUBIRLSA-N 1 2 333.378 3.806 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000762232542 1121202336 /nfs/dbraw/zinc/20/23/36/1121202336.db2.gz NQLBJIHWJOGHQN-SDQBBNPISA-N 1 2 343.736 3.634 20 0 EHADLO Cc1ccccc1OCc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000762245580 1121218399 /nfs/dbraw/zinc/21/83/99/1121218399.db2.gz MITYDLRGNTZGBC-UHFFFAOYSA-N 1 2 332.363 3.810 20 0 EHADLO Cc1cc(C)c(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC001128219070 1128972093 /nfs/dbraw/zinc/97/20/93/1128972093.db2.gz FPHDYPYCYOPPIF-HNNXBMFYSA-N 1 2 348.537 3.874 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nnn(-c3ccccc3)c2=S)[C@H]2CCCC[C@@H]12 ZINC000915209694 1121253711 /nfs/dbraw/zinc/25/37/11/1121253711.db2.gz MRTRJJIHSPEZLJ-PVAVHDDUSA-N 1 2 343.500 3.656 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nnn(-c3ccccc3)c2=S)[C@H]2CCCC[C@@H]12 ZINC000915209694 1121253717 /nfs/dbraw/zinc/25/37/17/1121253717.db2.gz MRTRJJIHSPEZLJ-PVAVHDDUSA-N 1 2 343.500 3.656 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1cc(Br)cs1 ZINC000637942771 1121288737 /nfs/dbraw/zinc/28/87/37/1121288737.db2.gz BSLDSHJPVYTJAM-CYBMUJFWSA-N 1 2 340.290 3.827 20 0 EHADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000637942771 1121288739 /nfs/dbraw/zinc/28/87/39/1121288739.db2.gz BSLDSHJPVYTJAM-CYBMUJFWSA-N 1 2 340.290 3.827 20 0 EHADLO Clc1ccc(C[N@H+](Cn2cnc(-c3ccccn3)n2)C2CC2)cc1 ZINC000762487688 1121323607 /nfs/dbraw/zinc/32/36/07/1121323607.db2.gz LEDDDFHAELFREV-UHFFFAOYSA-N 1 2 339.830 3.616 20 0 EHADLO Clc1ccc(C[N@@H+](Cn2cnc(-c3ccccn3)n2)C2CC2)cc1 ZINC000762487688 1121323615 /nfs/dbraw/zinc/32/36/15/1121323615.db2.gz LEDDDFHAELFREV-UHFFFAOYSA-N 1 2 339.830 3.616 20 0 EHADLO Clc1ccccc1[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762486732 1121324812 /nfs/dbraw/zinc/32/48/12/1121324812.db2.gz GODGCNWKZZFXKM-QGZVFWFLSA-N 1 2 339.830 3.788 20 0 EHADLO Clc1ccccc1[C@H]1CCC[N@H+]1Cn1cnc(-c2ccccn2)n1 ZINC000762486732 1121324821 /nfs/dbraw/zinc/32/48/21/1121324821.db2.gz GODGCNWKZZFXKM-QGZVFWFLSA-N 1 2 339.830 3.788 20 0 EHADLO C[C@@H](C1CC1)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193605915 1121487186 /nfs/dbraw/zinc/48/71/86/1121487186.db2.gz MTHMZHZWWAULLT-OAGGEKHMSA-N 1 2 345.487 3.558 20 0 EHADLO CN(Cc1ccccc1)c1ccc(Nc2cncnc2Cl)c[nH+]1 ZINC001203513043 1121523900 /nfs/dbraw/zinc/52/39/00/1121523900.db2.gz IPCBZUCCGOTQFZ-UHFFFAOYSA-N 1 2 325.803 3.905 20 0 EHADLO CC[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370835 1121709152 /nfs/dbraw/zinc/70/91/52/1121709152.db2.gz NKBBBGFLFBJBQB-DOMZBBRYSA-N 1 2 341.858 3.714 20 0 EHADLO C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000062370844 1121709417 /nfs/dbraw/zinc/70/94/17/1121709417.db2.gz WMCAKXUSHNWZEL-BLLLJJGKSA-N 1 2 338.854 3.778 20 0 EHADLO Cc1cccc(/C=C\C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000053896797 1121725194 /nfs/dbraw/zinc/72/51/94/1121725194.db2.gz YUXGEXKLFNXRRF-KTKRTIGZSA-N 1 2 331.419 3.569 20 0 EHADLO CCc1ccc(C[N@H+](C)[C@H](C)c2ncc(Br)cn2)cc1 ZINC000672535434 1129008209 /nfs/dbraw/zinc/00/82/09/1129008209.db2.gz CFHYYDHVPUQOFF-GFCCVEGCSA-N 1 2 334.261 3.995 20 0 EHADLO CCc1ccc(C[N@@H+](C)[C@H](C)c2ncc(Br)cn2)cc1 ZINC000672535434 1129008213 /nfs/dbraw/zinc/00/82/13/1129008213.db2.gz CFHYYDHVPUQOFF-GFCCVEGCSA-N 1 2 334.261 3.995 20 0 EHADLO Cc1ccccc1C[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055557530 1121840605 /nfs/dbraw/zinc/84/06/05/1121840605.db2.gz FXZQWUCZYHDYMU-KRWDZBQOSA-N 1 2 333.435 3.601 20 0 EHADLO CCCC[C@H](CCC)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444136843 1121874816 /nfs/dbraw/zinc/87/48/16/1121874816.db2.gz YRUCAMDQUMHCAD-IRXDYDNUSA-N 1 2 334.508 3.916 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](O)CCc2ccccc2)cs1 ZINC000347469963 1121903475 /nfs/dbraw/zinc/90/34/75/1121903475.db2.gz UXDYSYUZGAQCSZ-MAUKXSAKSA-N 1 2 348.512 3.666 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](O)CCc2ccccc2)cs1 ZINC000347469963 1121903484 /nfs/dbraw/zinc/90/34/84/1121903484.db2.gz UXDYSYUZGAQCSZ-MAUKXSAKSA-N 1 2 348.512 3.666 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000194485287 1121920940 /nfs/dbraw/zinc/92/09/40/1121920940.db2.gz UJMLHOJRJOZDGF-AWEZNQCLSA-N 1 2 346.862 3.940 20 0 EHADLO Cc1sc(Cl)nc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000763286169 1121942280 /nfs/dbraw/zinc/94/22/80/1121942280.db2.gz AQQIHTATNPGDAT-UHFFFAOYSA-N 1 2 347.827 3.956 20 0 EHADLO CCCn1c(SCc2ccc(N)[nH+]c2)nnc1-c1cccc(C)c1 ZINC000915986296 1122011382 /nfs/dbraw/zinc/01/13/82/1122011382.db2.gz LUMPZVOWGIOOPF-UHFFFAOYSA-N 1 2 339.468 3.933 20 0 EHADLO COC1(C[C@H](C)Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CCC1 ZINC000496251001 1122036339 /nfs/dbraw/zinc/03/63/39/1122036339.db2.gz BRRIHCRUMSUIKC-AWEZNQCLSA-N 1 2 349.475 3.866 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152556 1122082230 /nfs/dbraw/zinc/08/22/30/1122082230.db2.gz UHGJGRXYKXQRNI-ZDUSSCGKSA-N 1 2 344.842 3.906 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152556 1122082234 /nfs/dbraw/zinc/08/22/34/1122082234.db2.gz UHGJGRXYKXQRNI-ZDUSSCGKSA-N 1 2 344.842 3.906 20 0 EHADLO CC(C)[C@@H](Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000123352795 1122097681 /nfs/dbraw/zinc/09/76/81/1122097681.db2.gz VJLOAFIQDCTRRH-GOSISDBHSA-N 1 2 325.456 3.515 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cccc(F)c1F ZINC000497069085 1122328725 /nfs/dbraw/zinc/32/87/25/1122328725.db2.gz CGCGZHHHCFEXTO-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497103973 1122337210 /nfs/dbraw/zinc/33/72/10/1122337210.db2.gz AJHILRMESBEUNP-LBPRGKRZSA-N 1 2 344.415 3.574 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497103973 1122337217 /nfs/dbraw/zinc/33/72/17/1122337217.db2.gz AJHILRMESBEUNP-LBPRGKRZSA-N 1 2 344.415 3.574 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1N[C@H]1CCOC2(CCC2)C1 ZINC000497151207 1122348489 /nfs/dbraw/zinc/34/84/89/1122348489.db2.gz PPRIFRQRTSGBBG-HNNXBMFYSA-N 1 2 347.459 3.620 20 0 EHADLO CSc1ccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126634027 1122416163 /nfs/dbraw/zinc/41/61/63/1122416163.db2.gz VQVSORZGWFXEGF-KRWDZBQOSA-N 1 2 335.494 3.922 20 0 EHADLO CSc1ccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126634027 1122416165 /nfs/dbraw/zinc/41/61/65/1122416165.db2.gz VQVSORZGWFXEGF-KRWDZBQOSA-N 1 2 335.494 3.922 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000066846533 1122486872 /nfs/dbraw/zinc/48/68/72/1122486872.db2.gz SYUHHLKSAYJQAO-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000066846533 1122486875 /nfs/dbraw/zinc/48/68/75/1122486875.db2.gz SYUHHLKSAYJQAO-FQEVSTJZSA-N 1 2 337.398 3.585 20 0 EHADLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H](C)c1cccc(OC)c1 ZINC000917105534 1122503543 /nfs/dbraw/zinc/50/35/43/1122503543.db2.gz IPNHHYUTEXULSP-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H](C)c1cccc(OC)c1 ZINC000917105534 1122503548 /nfs/dbraw/zinc/50/35/48/1122503548.db2.gz IPNHHYUTEXULSP-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000499595269 1129060372 /nfs/dbraw/zinc/06/03/72/1129060372.db2.gz VUOIDSGWPDVFHY-KDOFPFPSSA-N 1 2 347.480 3.781 20 0 EHADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000499595269 1129060375 /nfs/dbraw/zinc/06/03/75/1129060375.db2.gz VUOIDSGWPDVFHY-KDOFPFPSSA-N 1 2 347.480 3.781 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c(F)c1 ZINC000497414735 1122549397 /nfs/dbraw/zinc/54/93/97/1122549397.db2.gz FDBHCKXVWGYDFL-UHFFFAOYSA-N 1 2 348.462 3.886 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+](C)C2CCC(C)CC2)c(=S)n1C ZINC000917456907 1122611857 /nfs/dbraw/zinc/61/18/57/1122611857.db2.gz VJFKMEJRWOKMCC-UHFFFAOYSA-N 1 2 334.489 3.988 20 0 EHADLO Cc1occc1-c1nn(C[N@H+](C)C2CCC(C)CC2)c(=S)n1C ZINC000917456907 1122611859 /nfs/dbraw/zinc/61/18/59/1122611859.db2.gz VJFKMEJRWOKMCC-UHFFFAOYSA-N 1 2 334.489 3.988 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917480603 1122613446 /nfs/dbraw/zinc/61/34/46/1122613446.db2.gz QDHMNGSZZYHRTG-AWEZNQCLSA-N 1 2 333.457 3.567 20 0 EHADLO O=c1oc(-c2cccs2)nn1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000917480603 1122613450 /nfs/dbraw/zinc/61/34/50/1122613450.db2.gz QDHMNGSZZYHRTG-AWEZNQCLSA-N 1 2 333.457 3.567 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nnn(C(C)(C)C)c2=S)c1 ZINC000917617541 1122649724 /nfs/dbraw/zinc/64/97/24/1122649724.db2.gz KIWJROFSXBBIEF-OAHLLOKOSA-N 1 2 331.489 3.667 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nnn(C(C)(C)C)c2=S)c1 ZINC000917617541 1122649730 /nfs/dbraw/zinc/64/97/30/1122649730.db2.gz KIWJROFSXBBIEF-OAHLLOKOSA-N 1 2 331.489 3.667 20 0 EHADLO Clc1cc(C[NH+]2CCN(c3nccs3)CC2)c2ccccc2n1 ZINC000154581833 1122711780 /nfs/dbraw/zinc/71/17/80/1122711780.db2.gz JLNYTFRCCNZDNR-UHFFFAOYSA-N 1 2 344.871 3.667 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1nc(C(F)(F)F)cs1 ZINC000922073142 1129077740 /nfs/dbraw/zinc/07/77/40/1129077740.db2.gz OUSYCEHLLGTEMO-SECBINFHSA-N 1 2 330.379 3.934 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000556112877 1122820278 /nfs/dbraw/zinc/82/02/78/1122820278.db2.gz BCDQQEKEDFXXRV-LJQANCHMSA-N 1 2 338.430 3.909 20 0 EHADLO Cc1cccc(C(C)(C)C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000556112877 1122820285 /nfs/dbraw/zinc/82/02/85/1122820285.db2.gz BCDQQEKEDFXXRV-LJQANCHMSA-N 1 2 338.430 3.909 20 0 EHADLO Cc1ccc(SCC(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C)c1 ZINC001127453683 1122943183 /nfs/dbraw/zinc/94/31/83/1122943183.db2.gz PWPATFMXOLFUOG-UHFFFAOYSA-N 1 2 329.469 3.804 20 0 EHADLO Cc1ccn2c(C[N@H+](C)Cc3ccc(Br)o3)cnc2c1 ZINC000130685453 1122986585 /nfs/dbraw/zinc/98/65/85/1122986585.db2.gz AWQYIVDJTWACES-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccn2c(C[N@@H+](C)Cc3ccc(Br)o3)cnc2c1 ZINC000130685453 1122986588 /nfs/dbraw/zinc/98/65/88/1122986588.db2.gz AWQYIVDJTWACES-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000498628644 1122998017 /nfs/dbraw/zinc/99/80/17/1122998017.db2.gz WMJSYTQXFZUXER-UZLBHIALSA-N 1 2 341.451 3.563 20 0 EHADLO c1n[nH]c2c1CC[C@H]([NH2+][C@@H](c1cc3ccccc3o1)c1cccnc1)C2 ZINC000498931075 1123118305 /nfs/dbraw/zinc/11/83/05/1123118305.db2.gz QITJRJJXKUDXNZ-LAUBAEHRSA-N 1 2 344.418 3.787 20 0 EHADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000131482346 1123119456 /nfs/dbraw/zinc/11/94/56/1123119456.db2.gz MWMHVFDMIUXWKT-DYESRHJHSA-N 1 2 345.446 3.962 20 0 EHADLO CCc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)sc1C ZINC000072650908 1123137349 /nfs/dbraw/zinc/13/73/49/1123137349.db2.gz VHRZZOJEKBSLJY-UHFFFAOYSA-N 1 2 344.480 3.703 20 0 EHADLO CC(C)[C@H](NC(=O)COc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000072674338 1123141022 /nfs/dbraw/zinc/14/10/22/1123141022.db2.gz GWTVRZHXUDOLFB-NRFANRHFSA-N 1 2 349.434 3.765 20 0 EHADLO Cc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc4n[nH]cc4c3)n2)cc1 ZINC000556852964 1123150830 /nfs/dbraw/zinc/15/08/30/1123150830.db2.gz NTUATPNIALBBFL-ZDUSSCGKSA-N 1 2 333.395 3.772 20 0 EHADLO CC(C)c1ccc(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000499020476 1123151875 /nfs/dbraw/zinc/15/18/75/1123151875.db2.gz JZNCQMXHNTVHHZ-UHFFFAOYSA-N 1 2 325.456 3.872 20 0 EHADLO CC(C)n1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C1CC1 ZINC000131661441 1123160415 /nfs/dbraw/zinc/16/04/15/1123160415.db2.gz LZDPNIFDKROCDX-UHFFFAOYSA-N 1 2 335.411 3.984 20 0 EHADLO CCn1c(C)cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1C ZINC000919852631 1123181039 /nfs/dbraw/zinc/18/10/39/1123181039.db2.gz NZOZWAQHHHGKCP-UHFFFAOYSA-N 1 2 334.489 3.675 20 0 EHADLO COc1cccc2c1CCCN2Cc1cc(-n2cc[nH+]c2)cs1 ZINC000556909794 1123194760 /nfs/dbraw/zinc/19/47/60/1123194760.db2.gz LTPPYKPVPJOKQJ-UHFFFAOYSA-N 1 2 325.437 3.895 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000073590334 1123211259 /nfs/dbraw/zinc/21/12/59/1123211259.db2.gz AFQCZLUQWGXQPN-HXUWFJFHSA-N 1 2 344.503 3.794 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000073626028 1123213294 /nfs/dbraw/zinc/21/32/94/1123213294.db2.gz UJRIZLNSZLXMIR-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000073626028 1123213299 /nfs/dbraw/zinc/21/32/99/1123213299.db2.gz UJRIZLNSZLXMIR-SNVBAGLBSA-N 1 2 347.322 3.636 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000073894368 1123228147 /nfs/dbraw/zinc/22/81/47/1123228147.db2.gz LHWWRXQZSVFYJE-UHFFFAOYSA-N 1 2 336.435 3.707 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3ccsc3C2)c1C ZINC000132494622 1123238268 /nfs/dbraw/zinc/23/82/68/1123238268.db2.gz PYUHJFVXPKUGJF-AWEZNQCLSA-N 1 2 346.496 3.615 20 0 EHADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3ccsc3C2)c1C ZINC000132494622 1123238272 /nfs/dbraw/zinc/23/82/72/1123238272.db2.gz PYUHJFVXPKUGJF-AWEZNQCLSA-N 1 2 346.496 3.615 20 0 EHADLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)Cc2ccccc21 ZINC000920084979 1123287968 /nfs/dbraw/zinc/28/79/68/1123287968.db2.gz IINHSFYCAVKLAX-OAHLLOKOSA-N 1 2 347.455 3.609 20 0 EHADLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)Cc2ccccc21 ZINC000920084979 1123287972 /nfs/dbraw/zinc/28/79/72/1123287972.db2.gz IINHSFYCAVKLAX-OAHLLOKOSA-N 1 2 347.455 3.609 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000920207026 1123333676 /nfs/dbraw/zinc/33/36/76/1123333676.db2.gz VHSAMLDQXIVNEC-UHFFFAOYSA-N 1 2 331.481 3.629 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000920207026 1123333681 /nfs/dbraw/zinc/33/36/81/1123333681.db2.gz VHSAMLDQXIVNEC-UHFFFAOYSA-N 1 2 331.481 3.629 20 0 EHADLO Cn1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c(C2CCCC2)n1 ZINC000922115880 1129116559 /nfs/dbraw/zinc/11/65/59/1129116559.db2.gz PTKAFXBLNNWQFI-UHFFFAOYSA-N 1 2 349.482 3.612 20 0 EHADLO Cc1nc(C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)cs1 ZINC000920412789 1123365995 /nfs/dbraw/zinc/36/59/95/1123365995.db2.gz GTEALULJJYRPRR-UHFFFAOYSA-N 1 2 326.469 3.852 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000133598670 1123406814 /nfs/dbraw/zinc/40/68/14/1123406814.db2.gz UAZOEVXSAOCQGL-GOSISDBHSA-N 1 2 328.387 3.525 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000133598670 1123406817 /nfs/dbraw/zinc/40/68/17/1123406817.db2.gz UAZOEVXSAOCQGL-GOSISDBHSA-N 1 2 328.387 3.525 20 0 EHADLO COc1ccc(Cc2nn(C[N@H+](C)CCC(C)C)c(=S)o2)cc1 ZINC000921049979 1123458616 /nfs/dbraw/zinc/45/86/16/1123458616.db2.gz MQSGRWZZDGPDAQ-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO COc1ccc(Cc2nn(C[N@@H+](C)CCC(C)C)c(=S)o2)cc1 ZINC000921049979 1123458617 /nfs/dbraw/zinc/45/86/17/1123458617.db2.gz MQSGRWZZDGPDAQ-UHFFFAOYSA-N 1 2 335.473 3.740 20 0 EHADLO O=C(/C=C\c1cccs1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000921088914 1123463807 /nfs/dbraw/zinc/46/38/07/1123463807.db2.gz SUIWYMBBNUZDNV-FPLPWBNLSA-N 1 2 339.420 3.676 20 0 EHADLO O=C(NCCCCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921199986 1123478272 /nfs/dbraw/zinc/47/82/72/1123478272.db2.gz RTENMYZJJCCMGO-UHFFFAOYSA-N 1 2 348.450 3.694 20 0 EHADLO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201171 1123478349 /nfs/dbraw/zinc/47/83/49/1123478349.db2.gz OHLCASYMKOUTKU-SJLPKXTDSA-N 1 2 326.444 3.640 20 0 EHADLO O=C(CCc1cc(Cl)cs1)NCCCCNc1cccc[nH+]1 ZINC000076592213 1123505544 /nfs/dbraw/zinc/50/55/44/1123505544.db2.gz JKSNRMALCYWQSN-UHFFFAOYSA-N 1 2 337.876 3.738 20 0 EHADLO CC(C)(C)c1coc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)n1 ZINC000921478325 1123549682 /nfs/dbraw/zinc/54/96/82/1123549682.db2.gz GSBHHLQFVLJZBO-OAHLLOKOSA-N 1 2 331.460 3.882 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc1F ZINC000135092870 1123581624 /nfs/dbraw/zinc/58/16/24/1123581624.db2.gz MKKNWRXKLPNHBN-UHFFFAOYSA-N 1 2 327.334 3.573 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc1F ZINC000135092870 1123581628 /nfs/dbraw/zinc/58/16/28/1123581628.db2.gz MKKNWRXKLPNHBN-UHFFFAOYSA-N 1 2 327.334 3.573 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000064440269 1123618109 /nfs/dbraw/zinc/61/81/09/1123618109.db2.gz VFGPOFAMGCACJP-INIZCTEOSA-N 1 2 344.846 3.863 20 0 EHADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000135488528 1123621524 /nfs/dbraw/zinc/62/15/24/1123621524.db2.gz APXXEGYTFRKFPL-UHFFFAOYSA-N 1 2 347.528 3.681 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c(F)c1 ZINC000136460324 1123697464 /nfs/dbraw/zinc/69/74/64/1123697464.db2.gz YARTUYWUGHJPFV-UHFFFAOYSA-N 1 2 348.443 3.936 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2ccnn2C)c2ccccc2Cl)cc1 ZINC000080204243 1123745672 /nfs/dbraw/zinc/74/56/72/1123745672.db2.gz LDXDKHBDWMPCCF-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245512734 1123857666 /nfs/dbraw/zinc/85/76/66/1123857666.db2.gz AUCNJYXHIHWKMS-MJGOQNOKSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245512734 1123857669 /nfs/dbraw/zinc/85/76/69/1123857669.db2.gz AUCNJYXHIHWKMS-MJGOQNOKSA-N 1 2 339.483 3.630 20 0 EHADLO Cc1coc(C)c1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000670773188 1123860073 /nfs/dbraw/zinc/86/00/73/1123860073.db2.gz WMGCZLIZHDBLFU-HUUCEWRRSA-N 1 2 342.439 3.758 20 0 EHADLO CCOC(=O)c1ccc(CNc2c(C)c[nH+]c3c(OC)cccc23)o1 ZINC000615704037 1123865454 /nfs/dbraw/zinc/86/54/54/1123865454.db2.gz XTLFQKSRSSZIJE-UHFFFAOYSA-N 1 2 340.379 3.934 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616095980 1123942274 /nfs/dbraw/zinc/94/22/74/1123942274.db2.gz NDEXTZOVMZOKMC-INDMIFKZSA-N 1 2 337.467 3.614 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000245930811 1123983479 /nfs/dbraw/zinc/98/34/79/1123983479.db2.gz YKZQKTQWOKKLQZ-GJZGRUSLSA-N 1 2 345.443 3.635 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](CC)C[C@H]2COc3ccccc3O2)n1 ZINC000245930811 1123983483 /nfs/dbraw/zinc/98/34/83/1123983483.db2.gz YKZQKTQWOKKLQZ-GJZGRUSLSA-N 1 2 345.443 3.635 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccc(N(C)c3ccccc3)cc2)C[C@@H](C)S1=O ZINC000616741637 1124028585 /nfs/dbraw/zinc/02/85/85/1124028585.db2.gz XUVYAPQUVVXIJU-IAGOWNOFSA-N 1 2 342.508 3.796 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2sccc2s1 ZINC000617017830 1124077843 /nfs/dbraw/zinc/07/78/43/1124077843.db2.gz KJRVZCOEFGLHCY-UHFFFAOYSA-N 1 2 343.477 3.757 20 0 EHADLO CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000617167559 1124096924 /nfs/dbraw/zinc/09/69/24/1124096924.db2.gz JAVOKADIYRUSML-KRWDZBQOSA-N 1 2 325.387 3.533 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000069066836 1124103726 /nfs/dbraw/zinc/10/37/26/1124103726.db2.gz BUUAAPQRTBXGLV-HNNXBMFYSA-N 1 2 327.428 3.511 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000069066836 1124103728 /nfs/dbraw/zinc/10/37/28/1124103728.db2.gz BUUAAPQRTBXGLV-HNNXBMFYSA-N 1 2 327.428 3.511 20 0 EHADLO CSc1cc(Cl)ccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617253307 1124458672 /nfs/dbraw/zinc/45/86/72/1124458672.db2.gz MOEHXWJKHAOBJD-UHFFFAOYSA-N 1 2 335.860 3.776 20 0 EHADLO C[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000734649622 1131262639 /nfs/dbraw/zinc/26/26/39/1131262639.db2.gz JCZQLURVKGBHGV-HOTGVXAUSA-N 1 2 347.503 3.884 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c(Cl)c1 ZINC000247363255 1124607143 /nfs/dbraw/zinc/60/71/43/1124607143.db2.gz HKPYKKAUGCQFBF-HUUCEWRRSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c(Cl)c1 ZINC000247363255 1124607145 /nfs/dbraw/zinc/60/71/45/1124607145.db2.gz HKPYKKAUGCQFBF-HUUCEWRRSA-N 1 2 338.879 3.722 20 0 EHADLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000248537753 1124671474 /nfs/dbraw/zinc/67/14/74/1124671474.db2.gz ADQNSXVWOAYJRO-MDZRGWNJSA-N 1 2 340.471 3.555 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(C(C)(C)C)CC2)c1C ZINC000734860377 1131287589 /nfs/dbraw/zinc/28/75/89/1131287589.db2.gz VVRCHGLDJQMJOS-UHFFFAOYSA-N 1 2 333.476 3.675 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000735071010 1131306419 /nfs/dbraw/zinc/30/64/19/1131306419.db2.gz VZPRUSPHUFTTEP-APWZRJJASA-N 1 2 348.874 3.856 20 0 EHADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000735071010 1131306426 /nfs/dbraw/zinc/30/64/26/1131306426.db2.gz VZPRUSPHUFTTEP-APWZRJJASA-N 1 2 348.874 3.856 20 0 EHADLO CCCCn1ncc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000162995696 1124886865 /nfs/dbraw/zinc/88/68/65/1124886865.db2.gz AXZBNHLFEJLFCT-JXMROGBWSA-N 1 2 349.438 3.829 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000091311497 1124975888 /nfs/dbraw/zinc/97/58/88/1124975888.db2.gz IHQKMBSUFCVMIT-SFHVURJKSA-N 1 2 341.846 3.803 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1c(F)cccc1Cl ZINC000181759036 1125035085 /nfs/dbraw/zinc/03/50/85/1125035085.db2.gz ZSSNZRUSSRZMPX-SECBINFHSA-N 1 2 342.201 3.817 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2oc3ccccc3c2OC)c1 ZINC000618577834 1125115163 /nfs/dbraw/zinc/11/51/63/1125115163.db2.gz WPGJOTSJFOLFMI-LLVKDONJSA-N 1 2 329.352 3.672 20 0 EHADLO CCC1(CC)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000618670383 1125150632 /nfs/dbraw/zinc/15/06/32/1125150632.db2.gz ZPYSOVVUHPTBBZ-UHFFFAOYSA-N 1 2 339.483 3.903 20 0 EHADLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263936381 1125231289 /nfs/dbraw/zinc/23/12/89/1125231289.db2.gz FFOGULWBZPZJBF-LRDDRELGSA-N 1 2 344.846 3.640 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000619135479 1125293843 /nfs/dbraw/zinc/29/38/43/1125293843.db2.gz QQDRXNCVOWKRSV-JFIYKMOQSA-N 1 2 325.456 3.969 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(SC)cc2)cs1 ZINC000619622884 1125372521 /nfs/dbraw/zinc/37/25/21/1125372521.db2.gz WBWRKNVMUSJOGE-NSHDSACASA-N 1 2 336.482 3.893 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC2(C)CC2)[C@@H](C)C1 ZINC001128412397 1129201537 /nfs/dbraw/zinc/20/15/37/1129201537.db2.gz SHULMQCLUSSPHC-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC2(C)CC2)[C@@H](C)C1 ZINC001128412397 1129201542 /nfs/dbraw/zinc/20/15/42/1129201542.db2.gz SHULMQCLUSSPHC-KRWDZBQOSA-N 1 2 344.499 3.698 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077137 1129206775 /nfs/dbraw/zinc/20/67/75/1129206775.db2.gz WXCWVXKTWSYWDO-LSDHHAIUSA-N 1 2 347.459 3.986 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cc(C)c(OC)cc2C)n1 ZINC000682077137 1129206779 /nfs/dbraw/zinc/20/67/79/1129206779.db2.gz WXCWVXKTWSYWDO-LSDHHAIUSA-N 1 2 347.459 3.986 20 0 EHADLO Cc1ccc(N[C@H](C)CCCC(C)(C)O)c(C[NH+]2CCOCC2)c1 ZINC001168707562 1129263011 /nfs/dbraw/zinc/26/30/11/1129263011.db2.gz JYLTXEYJPHKXDE-QGZVFWFLSA-N 1 2 334.504 3.569 20 0 EHADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc(Cl)c1 ZINC000068938843 1129264840 /nfs/dbraw/zinc/26/48/40/1129264840.db2.gz VBMXAYBYWLONRL-ZDUSSCGKSA-N 1 2 345.830 3.561 20 0 EHADLO c1c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)nnn1C1CCC1 ZINC000657354732 1129267545 /nfs/dbraw/zinc/26/75/45/1129267545.db2.gz YSXADFUZIILCSK-OAQYLSRUSA-N 1 2 348.450 3.913 20 0 EHADLO Brc1ccc(-c2ccc(C[NH2+]Cc3ncc[nH]3)o2)cc1 ZINC000067695169 1129298179 /nfs/dbraw/zinc/29/81/79/1129298179.db2.gz CZELGNKHDJUOTB-UHFFFAOYSA-N 1 2 332.201 3.722 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1[nH]c2ccccc2c1Cl ZINC000067743678 1129302744 /nfs/dbraw/zinc/30/27/44/1129302744.db2.gz KMEIGXUPUWOHEQ-UHFFFAOYSA-N 1 2 339.826 3.567 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265833809 1129305856 /nfs/dbraw/zinc/30/58/56/1129305856.db2.gz DNLKVLQCKDNHLX-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265833809 1129305860 /nfs/dbraw/zinc/30/58/60/1129305860.db2.gz DNLKVLQCKDNHLX-ZDUSSCGKSA-N 1 2 337.872 3.937 20 0 EHADLO CCC[C@H](C)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000080548590 1129363659 /nfs/dbraw/zinc/36/36/59/1129363659.db2.gz BUZVUBIVYFEANG-DOTOQJQBSA-N 1 2 328.460 3.534 20 0 EHADLO Clc1ccccc1C1([NH2+]Cc2nc(Br)c[nH]2)CCC1 ZINC000922217307 1129369764 /nfs/dbraw/zinc/36/97/64/1129369764.db2.gz OZUWFETYCHXPOZ-UHFFFAOYSA-N 1 2 340.652 3.995 20 0 EHADLO COc1cccc(-n2ccn(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2=S)c1 ZINC000735668667 1131372264 /nfs/dbraw/zinc/37/22/64/1131372264.db2.gz XPICAHUEKKBGRO-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO COc1cccc(-n2ccn(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2=S)c1 ZINC000735668667 1131372272 /nfs/dbraw/zinc/37/22/72/1131372272.db2.gz XPICAHUEKKBGRO-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000081316701 1129412987 /nfs/dbraw/zinc/41/29/87/1129412987.db2.gz QILFVXQNJUERTQ-KRWDZBQOSA-N 1 2 339.464 3.514 20 0 EHADLO CCc1ccsc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081319011 1129413769 /nfs/dbraw/zinc/41/37/69/1129413769.db2.gz GSQQLKGMWIOHDG-MRXNPFEDSA-N 1 2 339.464 3.758 20 0 EHADLO O=C(c1ccc(Cl)cc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673472297 1129443235 /nfs/dbraw/zinc/44/32/35/1129443235.db2.gz YUHPEVYPTRQZMP-UHFFFAOYSA-N 1 2 349.887 3.575 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)cc1C ZINC000466493322 1129491602 /nfs/dbraw/zinc/49/16/02/1129491602.db2.gz QDXTUAYXGLMYLC-INIZCTEOSA-N 1 2 343.496 3.514 20 0 EHADLO CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccc[nH+]c2N)cc1 ZINC000922403905 1129523385 /nfs/dbraw/zinc/52/33/85/1129523385.db2.gz FDRMLMCPCUTEOW-QGZVFWFLSA-N 1 2 342.439 3.518 20 0 EHADLO CCCn1c(C[NH2+]Cc2nc3c(s2)CCC3)nc2ccccc21 ZINC000922470757 1129541058 /nfs/dbraw/zinc/54/10/58/1129541058.db2.gz RVDITJSISCJRRY-UHFFFAOYSA-N 1 2 326.469 3.681 20 0 EHADLO COc1cc2ccccc2cc1C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922487888 1129550196 /nfs/dbraw/zinc/55/01/96/1129550196.db2.gz WZFQVGMEIGUGDM-UHFFFAOYSA-N 1 2 341.480 3.656 20 0 EHADLO CN(C)Cc1csc(C[NH2+]Cc2ccc(C(F)(F)F)s2)n1 ZINC000922490050 1129550792 /nfs/dbraw/zinc/55/07/92/1129550792.db2.gz LLJFVMAMDWAMEC-UHFFFAOYSA-N 1 2 335.420 3.575 20 0 EHADLO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000922522008 1129561693 /nfs/dbraw/zinc/56/16/93/1129561693.db2.gz PPZRZJKBTYGKPH-JXFKEZNVSA-N 1 2 343.398 3.799 20 0 EHADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922526796 1129562426 /nfs/dbraw/zinc/56/24/26/1129562426.db2.gz UVWAYGHROKKRCL-PXNSSMCTSA-N 1 2 337.398 3.947 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)OCc2ccc[nH+]c2N)c1 ZINC000922552487 1129568195 /nfs/dbraw/zinc/56/81/95/1129568195.db2.gz KDNNMJUATUKAJA-UHFFFAOYSA-N 1 2 328.412 3.608 20 0 EHADLO C[C@H](CC(=O)OCc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000922544767 1129569985 /nfs/dbraw/zinc/56/99/85/1129569985.db2.gz SXEWYWHWRDSOFL-LLVKDONJSA-N 1 2 349.228 3.663 20 0 EHADLO FC(F)(F)c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)s1 ZINC000428880429 1129571460 /nfs/dbraw/zinc/57/14/60/1129571460.db2.gz JUTAMRSGIVGOJD-UHFFFAOYSA-N 1 2 343.374 3.611 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(Cl)c1F ZINC000499936131 1129578446 /nfs/dbraw/zinc/57/84/46/1129578446.db2.gz MSNDQUGWIPHFSP-CYBMUJFWSA-N 1 2 345.748 3.904 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000922577430 1129579304 /nfs/dbraw/zinc/57/93/04/1129579304.db2.gz AIQPBSUCNVIPHI-QGZVFWFLSA-N 1 2 339.439 3.673 20 0 EHADLO COC(=O)c1cnoc1C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000508977537 1129608360 /nfs/dbraw/zinc/60/83/60/1129608360.db2.gz MKPGOXXMRGBXDU-IBGZPJMESA-N 1 2 342.439 3.901 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC1CCCC1)c1cn(C)nn1 ZINC000922634952 1129608883 /nfs/dbraw/zinc/60/88/83/1129608883.db2.gz LJAWDOIBXZJHND-GFCCVEGCSA-N 1 2 334.851 3.641 20 0 EHADLO Cc1cnc(C[NH2+]Cc2cc(Br)cnc2Cl)c(C)c1 ZINC000922740187 1129645574 /nfs/dbraw/zinc/64/55/74/1129645574.db2.gz DNUMKBROVKZBIN-UHFFFAOYSA-N 1 2 340.652 3.799 20 0 EHADLO CC[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000922763855 1129655108 /nfs/dbraw/zinc/65/51/08/1129655108.db2.gz JYMWSUZULVDVDF-QGZVFWFLSA-N 1 2 330.476 3.636 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000338877610 1129657109 /nfs/dbraw/zinc/65/71/09/1129657109.db2.gz GIPLKDAFUCSLOC-OAHLLOKOSA-N 1 2 346.471 3.725 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000020542003 1129667456 /nfs/dbraw/zinc/66/74/56/1129667456.db2.gz CQNUVXPSCNFSAJ-UHFFFAOYSA-N 1 2 329.469 3.660 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347746829 1129680030 /nfs/dbraw/zinc/68/00/30/1129680030.db2.gz XJDRHWNYPZOFET-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347746829 1129680033 /nfs/dbraw/zinc/68/00/33/1129680033.db2.gz XJDRHWNYPZOFET-UHFFFAOYSA-N 1 2 341.842 3.771 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000347765732 1129700921 /nfs/dbraw/zinc/70/09/21/1129700921.db2.gz RMSFPXJXDGBAEP-GPMSIDNRSA-N 1 2 340.471 3.555 20 0 EHADLO C[C@@H](CCc1ccccc1F)C(=O)NCCCCNc1cccc[nH+]1 ZINC000173079362 1129701310 /nfs/dbraw/zinc/70/13/10/1129701310.db2.gz QARDEDBFRUAFKY-INIZCTEOSA-N 1 2 343.446 3.798 20 0 EHADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cc(C)c(C)o3)n2)cc1 ZINC000282406360 1129704970 /nfs/dbraw/zinc/70/49/70/1129704970.db2.gz YBJCWKBLGJPJFW-CQSZACIVSA-N 1 2 325.412 3.942 20 0 EHADLO COc1ccnc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c1 ZINC000429036420 1129715529 /nfs/dbraw/zinc/71/55/29/1129715529.db2.gz QDHGOAMQMKSRKN-CYBMUJFWSA-N 1 2 349.837 3.593 20 0 EHADLO COc1ccnc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c1 ZINC000429036420 1129715533 /nfs/dbraw/zinc/71/55/33/1129715533.db2.gz QDHGOAMQMKSRKN-CYBMUJFWSA-N 1 2 349.837 3.593 20 0 EHADLO C[C@H](C(=O)OCc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000735957928 1131394249 /nfs/dbraw/zinc/39/42/49/1131394249.db2.gz TWEUAYUJRDCRMR-CQSZACIVSA-N 1 2 329.827 3.830 20 0 EHADLO C[C@H](C(=O)OCc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000735957928 1131394254 /nfs/dbraw/zinc/39/42/54/1131394254.db2.gz TWEUAYUJRDCRMR-CQSZACIVSA-N 1 2 329.827 3.830 20 0 EHADLO CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000429077934 1129744738 /nfs/dbraw/zinc/74/47/38/1129744738.db2.gz MFOYKAAUSHVQMM-HUUCEWRRSA-N 1 2 332.473 3.829 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)no1 ZINC000282420396 1129771639 /nfs/dbraw/zinc/77/16/39/1129771639.db2.gz CSQAMJMSUYCFDA-ZWNOBZJWSA-N 1 2 337.217 3.920 20 0 EHADLO Cc1cc([C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nn1C ZINC000282422651 1129773717 /nfs/dbraw/zinc/77/37/17/1129773717.db2.gz CVCZWGAHBYLSQF-OAHLLOKOSA-N 1 2 333.439 3.817 20 0 EHADLO CC(C)(C)CNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000625258690 1129786778 /nfs/dbraw/zinc/78/67/78/1129786778.db2.gz CCRXAJFFYUWBAU-SFHVURJKSA-N 1 2 345.874 3.576 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1ccsc1C(F)(F)F ZINC000625276977 1129798683 /nfs/dbraw/zinc/79/86/83/1129798683.db2.gz POXIBWFRRSSXQC-UHFFFAOYSA-N 1 2 343.374 3.784 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]Cc2ccncc2Br)s1 ZINC000625323031 1129830857 /nfs/dbraw/zinc/83/08/57/1129830857.db2.gz RXTMOBHLJYEGSX-UHFFFAOYSA-N 1 2 326.263 3.634 20 0 EHADLO CSc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673759868 1129835085 /nfs/dbraw/zinc/83/50/85/1129835085.db2.gz OVUPFASMFQJBCF-UHFFFAOYSA-N 1 2 340.452 3.729 20 0 EHADLO CCC[N@H+](CCc1cccs1)Cn1nnn(C(C)(C)C)c1=S ZINC000766028558 1129836777 /nfs/dbraw/zinc/83/67/77/1129836777.db2.gz UOGLXEOWKRESRH-UHFFFAOYSA-N 1 2 339.534 3.538 20 0 EHADLO CCC[N@@H+](CCc1cccs1)Cn1nnn(C(C)(C)C)c1=S ZINC000766028558 1129836782 /nfs/dbraw/zinc/83/67/82/1129836782.db2.gz UOGLXEOWKRESRH-UHFFFAOYSA-N 1 2 339.534 3.538 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000483513858 1129837658 /nfs/dbraw/zinc/83/76/58/1129837658.db2.gz GWJUIPXQZVLMBE-FQEVSTJZSA-N 1 2 333.472 3.808 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000483513858 1129837664 /nfs/dbraw/zinc/83/76/64/1129837664.db2.gz GWJUIPXQZVLMBE-FQEVSTJZSA-N 1 2 333.472 3.808 20 0 EHADLO CC[C@@H](C)[C@H](C)N(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000673781123 1129843216 /nfs/dbraw/zinc/84/32/16/1129843216.db2.gz MASXHLGUYKQWND-ZBFHGGJFSA-N 1 2 342.487 3.794 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H](C)c3ccccc3)[nH+]c12 ZINC000673778037 1129845974 /nfs/dbraw/zinc/84/59/74/1129845974.db2.gz SLDGHNPLLZOHKX-INIZCTEOSA-N 1 2 336.439 3.588 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000673811583 1129856396 /nfs/dbraw/zinc/85/63/96/1129856396.db2.gz GMFBUNCNCLNQJM-UHFFFAOYSA-N 1 2 331.297 3.601 20 0 EHADLO COC(=O)/C(=C/c1cccc2[nH+]ccn21)c1nc(C(C)(C)C)cs1 ZINC000766035219 1129873390 /nfs/dbraw/zinc/87/33/90/1129873390.db2.gz UPPOMIICKOJPNK-JLHYYAGUSA-N 1 2 341.436 3.802 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3cccc4cc[nH]c43)c[nH+]2)C[C@H](C)O1 ZINC000347816860 1129873655 /nfs/dbraw/zinc/87/36/55/1129873655.db2.gz RXYQNXWLBUKMBZ-GJZGRUSLSA-N 1 2 336.439 3.789 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429157554 1129900473 /nfs/dbraw/zinc/90/04/73/1129900473.db2.gz VNZDNOMFWVOJSF-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)c(C)c1 ZINC000429157554 1129900474 /nfs/dbraw/zinc/90/04/74/1129900474.db2.gz VNZDNOMFWVOJSF-QGZVFWFLSA-N 1 2 338.451 3.833 20 0 EHADLO COc1cc(C)nc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000347842165 1129913798 /nfs/dbraw/zinc/91/37/98/1129913798.db2.gz QIMAFNOYZQDOOC-ZDUSSCGKSA-N 1 2 340.452 3.768 20 0 EHADLO Cc1cnccc1C[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000625536159 1129918268 /nfs/dbraw/zinc/91/82/68/1129918268.db2.gz HXRLMRPKMJZNTJ-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO Cc1cnccc1C[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000625536159 1129918270 /nfs/dbraw/zinc/91/82/70/1129918270.db2.gz HXRLMRPKMJZNTJ-HNNXBMFYSA-N 1 2 325.239 3.862 20 0 EHADLO CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466570947 1129934350 /nfs/dbraw/zinc/93/43/50/1129934350.db2.gz YYBHKKZUZDQUHD-PKOBYXMFSA-N 1 2 340.471 3.983 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000625579399 1129936163 /nfs/dbraw/zinc/93/61/63/1129936163.db2.gz CJZHSKYZZNWDDW-UHFFFAOYSA-N 1 2 339.361 3.753 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000625579399 1129936164 /nfs/dbraw/zinc/93/61/64/1129936164.db2.gz CJZHSKYZZNWDDW-UHFFFAOYSA-N 1 2 339.361 3.753 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(C)c1OC ZINC000347861618 1129941082 /nfs/dbraw/zinc/94/10/82/1129941082.db2.gz JBKZDOIFADPRIM-KRWDZBQOSA-N 1 2 333.453 3.647 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(C)c1OC ZINC000347861618 1129941086 /nfs/dbraw/zinc/94/10/86/1129941086.db2.gz JBKZDOIFADPRIM-KRWDZBQOSA-N 1 2 333.453 3.647 20 0 EHADLO Cc1sc(NC(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(C)c1C ZINC000625646874 1129965089 /nfs/dbraw/zinc/96/50/89/1129965089.db2.gz CIEOAEVRJJNBQW-NXEZZACHSA-N 1 2 330.444 3.835 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625644231 1129966123 /nfs/dbraw/zinc/96/61/23/1129966123.db2.gz BMKNPFIKJXAESA-GARJFASQSA-N 1 2 332.341 3.515 20 0 EHADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000032483612 1129992311 /nfs/dbraw/zinc/99/23/11/1129992311.db2.gz FDGYIGZICBIPHP-UHFFFAOYSA-N 1 2 334.872 3.668 20 0 EHADLO CCc1noc([C@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC001137609116 1129992757 /nfs/dbraw/zinc/99/27/57/1129992757.db2.gz HIBBWPFOIZYQGU-JTQLQIEISA-N 1 2 341.242 3.713 20 0 EHADLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)n1 ZINC001137609116 1129992761 /nfs/dbraw/zinc/99/27/61/1129992761.db2.gz HIBBWPFOIZYQGU-JTQLQIEISA-N 1 2 341.242 3.713 20 0 EHADLO CC(C)c1ccc2cc(C(=O)NCCCNc3cccc[nH+]3)[nH]c2c1 ZINC000736194834 1131412497 /nfs/dbraw/zinc/41/24/97/1131412497.db2.gz FNINMIMRRJDDDO-UHFFFAOYSA-N 1 2 336.439 3.918 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)c1 ZINC000674103381 1129999643 /nfs/dbraw/zinc/99/96/43/1129999643.db2.gz LODVYVFSUYBHIK-DLBZAZTESA-N 1 2 344.499 3.727 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cn3ccsc3n2)ccc1SC ZINC000171080576 1130007128 /nfs/dbraw/zinc/00/71/28/1130007128.db2.gz NXEKQKDGMCWWMT-UHFFFAOYSA-N 1 2 333.482 3.758 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cn3ccsc3n2)ccc1SC ZINC000171080576 1130007132 /nfs/dbraw/zinc/00/71/32/1130007132.db2.gz NXEKQKDGMCWWMT-UHFFFAOYSA-N 1 2 333.482 3.758 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335834 1130067406 /nfs/dbraw/zinc/06/74/06/1130067406.db2.gz RRWTWPNDRUSLGJ-SJLPKXTDSA-N 1 2 334.467 3.706 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccccc2F)c1C ZINC000172343783 1130126383 /nfs/dbraw/zinc/12/63/83/1130126383.db2.gz TZNBGUWBWPZPSE-ZDUSSCGKSA-N 1 2 344.430 3.683 20 0 EHADLO Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000172470937 1130138107 /nfs/dbraw/zinc/13/81/07/1130138107.db2.gz JRTXTYSPFKFVAY-QGZVFWFLSA-N 1 2 333.435 3.884 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000674951406 1130229907 /nfs/dbraw/zinc/22/99/07/1130229907.db2.gz VYZOXZGIUZEXRM-UHFFFAOYSA-N 1 2 327.403 3.508 20 0 EHADLO COc1ccc(-c2cncc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000675094173 1130249318 /nfs/dbraw/zinc/24/93/18/1130249318.db2.gz QHCLEIZVIMMBTH-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CC(C)(C)c4ccccc43)[nH+]c12 ZINC000675107368 1130255078 /nfs/dbraw/zinc/25/50/78/1130255078.db2.gz MLSUILFOZRTXPQ-UHFFFAOYSA-N 1 2 348.450 3.693 20 0 EHADLO CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000675148045 1130267396 /nfs/dbraw/zinc/26/73/96/1130267396.db2.gz ZUWWMLXAFYWQHN-UHFFFAOYSA-N 1 2 331.419 3.869 20 0 EHADLO CC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCCC1 ZINC001128970196 1130294153 /nfs/dbraw/zinc/29/41/53/1130294153.db2.gz CYXBJZPHSAODDC-RBUKOAKNSA-N 1 2 346.540 3.862 20 0 EHADLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)c1 ZINC000675282682 1130303123 /nfs/dbraw/zinc/30/31/23/1130303123.db2.gz IDWUOEMEOWVBNU-HNNXBMFYSA-N 1 2 338.480 3.883 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000675350812 1130318893 /nfs/dbraw/zinc/31/88/93/1130318893.db2.gz YSOJVZPEMDXLSO-UHFFFAOYSA-N 1 2 338.238 3.776 20 0 EHADLO CCC(CC)(CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000675435928 1130372673 /nfs/dbraw/zinc/37/26/73/1130372673.db2.gz UNDOLCNOAJGWGI-UHFFFAOYSA-N 1 2 346.519 3.773 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccc(F)c(F)c1 ZINC001168758394 1130418840 /nfs/dbraw/zinc/41/88/40/1130418840.db2.gz RENCDSCORVXDJM-JTQLQIEISA-N 1 2 331.322 3.571 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000675776969 1130476417 /nfs/dbraw/zinc/47/64/17/1130476417.db2.gz SXYOBHJXWRGEIY-RRFJBIMHSA-N 1 2 338.377 3.852 20 0 EHADLO CC(C)([NH2+]Cc1cc(-c2cccs2)on1)C(=O)Nc1ccccc1 ZINC000675973231 1130513804 /nfs/dbraw/zinc/51/38/04/1130513804.db2.gz QVMWBUYLZDLGRS-UHFFFAOYSA-N 1 2 341.436 3.910 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676049580 1130524292 /nfs/dbraw/zinc/52/42/92/1130524292.db2.gz FQGBGLASXFCHST-GFCCVEGCSA-N 1 2 341.308 3.518 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)nc(N)c2c1C ZINC000676084365 1130529617 /nfs/dbraw/zinc/52/96/17/1130529617.db2.gz RMZZUKKLGVNVGE-HNNXBMFYSA-N 1 2 340.402 3.898 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)nc(N)c2c1C ZINC000676084365 1130529624 /nfs/dbraw/zinc/52/96/24/1130529624.db2.gz RMZZUKKLGVNVGE-HNNXBMFYSA-N 1 2 340.402 3.898 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000706005658 1130550942 /nfs/dbraw/zinc/55/09/42/1130550942.db2.gz UAUMUOWKZHKRRC-UMAGBFNSSA-N 1 2 329.444 3.968 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000676274879 1130555116 /nfs/dbraw/zinc/55/51/16/1130555116.db2.gz JRHZMCYCVFSBSQ-CYBMUJFWSA-N 1 2 346.406 3.554 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000676330862 1130565436 /nfs/dbraw/zinc/56/54/36/1130565436.db2.gz VSBRTIXUSWLLPN-CQSZACIVSA-N 1 2 333.476 3.628 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000727823326 1130600551 /nfs/dbraw/zinc/60/05/51/1130600551.db2.gz ILXLOUVPHZFCSJ-AWEZNQCLSA-N 1 2 332.473 3.765 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000727823326 1130600555 /nfs/dbraw/zinc/60/05/55/1130600555.db2.gz ILXLOUVPHZFCSJ-AWEZNQCLSA-N 1 2 332.473 3.765 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000729967239 1130660982 /nfs/dbraw/zinc/66/09/82/1130660982.db2.gz GCNWQUPVOXFTDA-CYBMUJFWSA-N 1 2 341.361 3.647 20 0 EHADLO O=C(c1sccc1SC(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000730545719 1130718925 /nfs/dbraw/zinc/71/89/25/1130718925.db2.gz MNUVDNBWGPSYJF-JTQLQIEISA-N 1 2 343.424 3.737 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1F ZINC000731671526 1130829586 /nfs/dbraw/zinc/82/95/86/1130829586.db2.gz FSFNUFZUNLNMAI-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC000731671526 1130829596 /nfs/dbraw/zinc/82/95/96/1130829596.db2.gz FSFNUFZUNLNMAI-AWEZNQCLSA-N 1 2 342.414 3.530 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000732554128 1130935682 /nfs/dbraw/zinc/93/56/82/1130935682.db2.gz YKRSMMDXHQWXBX-LPHOPBHVSA-N 1 2 339.483 3.609 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199234 1131004342 /nfs/dbraw/zinc/00/43/42/1131004342.db2.gz OKWNHMMTFYLNDG-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199234 1131004345 /nfs/dbraw/zinc/00/43/45/1131004345.db2.gz OKWNHMMTFYLNDG-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1cccc(F)c1 ZINC000733307748 1131020139 /nfs/dbraw/zinc/02/01/39/1131020139.db2.gz UGJYEQZEAIDTAN-LLVKDONJSA-N 1 2 349.793 3.547 20 0 EHADLO c1csc(-c2nc(C[NH2+]Cc3cccc4c3OCCO4)cs2)c1 ZINC000733331273 1131028354 /nfs/dbraw/zinc/02/83/54/1131028354.db2.gz BPEPJQUKLHKZEK-UHFFFAOYSA-N 1 2 344.461 3.933 20 0 EHADLO C[C@H](CCC(C)(C)C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000347943269 1131097056 /nfs/dbraw/zinc/09/70/56/1131097056.db2.gz OONMDZKIXZWUOH-IAGOWNOFSA-N 1 2 331.504 3.749 20 0 EHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)F)cc1 ZINC000347976371 1131115169 /nfs/dbraw/zinc/11/51/69/1131115169.db2.gz ZZMSJEJZHRNYIL-UHFFFAOYSA-N 1 2 346.377 3.709 20 0 EHADLO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282673096 1131145260 /nfs/dbraw/zinc/14/52/60/1131145260.db2.gz JFOFJWYMXDTZHG-GFCCVEGCSA-N 1 2 338.402 3.794 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000177196602 1131160515 /nfs/dbraw/zinc/16/05/15/1131160515.db2.gz RDOOPZJMWLSMNH-DJJJIMSYSA-N 1 2 339.464 3.962 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000177196602 1131160518 /nfs/dbraw/zinc/16/05/18/1131160518.db2.gz RDOOPZJMWLSMNH-DJJJIMSYSA-N 1 2 339.464 3.962 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000733968909 1131177793 /nfs/dbraw/zinc/17/77/93/1131177793.db2.gz YIXVTFFKDOTLGM-LJQANCHMSA-N 1 2 335.407 3.973 20 0 EHADLO CC[C@H](NC(=S)NCCCNc1cccc[nH+]1)c1cccs1 ZINC000734371970 1131228836 /nfs/dbraw/zinc/22/88/36/1131228836.db2.gz CCTHNWMNTGZYJG-ZDUSSCGKSA-N 1 2 334.514 3.561 20 0 EHADLO CC[C@@H](NC(=S)NCc1[nH+]cc(C)c(OC)c1C)c1cccs1 ZINC000734377003 1131230070 /nfs/dbraw/zinc/23/00/70/1131230070.db2.gz MAVHZXDKCOOOLK-CYBMUJFWSA-N 1 2 349.525 3.884 20 0 EHADLO Fc1cc2ncc(NCc3ccc(-n4cc[nH+]c4)cc3)nc2cc1F ZINC000736286168 1131416217 /nfs/dbraw/zinc/41/62/17/1131416217.db2.gz GPIGOTOUTULZDD-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CC[N@H+](Cn1nc(COc2ccc(C)cc2)oc1=S)C1CCC1 ZINC000738054962 1131462043 /nfs/dbraw/zinc/46/20/43/1131462043.db2.gz RITZVQMPFSJGBK-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO CC[N@@H+](Cn1nc(COc2ccc(C)cc2)oc1=S)C1CCC1 ZINC000738054962 1131462044 /nfs/dbraw/zinc/46/20/44/1131462044.db2.gz RITZVQMPFSJGBK-UHFFFAOYSA-N 1 2 333.457 3.925 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000740853496 1131548409 /nfs/dbraw/zinc/54/84/09/1131548409.db2.gz BFROLXAMZVWDOY-YJBOKZPZSA-N 1 2 334.485 3.654 20 0 EHADLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000740853496 1131548414 /nfs/dbraw/zinc/54/84/14/1131548414.db2.gz BFROLXAMZVWDOY-YJBOKZPZSA-N 1 2 334.485 3.654 20 0 EHADLO CCCn1c(=S)n(C[N@@H+]2C[C@H](C)C[C@H]2C)nc1-c1ccncc1 ZINC000740861427 1131549052 /nfs/dbraw/zinc/54/90/52/1131549052.db2.gz WQHLLGMFOBYIBZ-ZIAGYGMSSA-N 1 2 331.489 3.574 20 0 EHADLO CCCn1c(=S)n(C[N@H+]2C[C@H](C)C[C@H]2C)nc1-c1ccncc1 ZINC000740861427 1131549055 /nfs/dbraw/zinc/54/90/55/1131549055.db2.gz WQHLLGMFOBYIBZ-ZIAGYGMSSA-N 1 2 331.489 3.574 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000741147524 1131582969 /nfs/dbraw/zinc/58/29/69/1131582969.db2.gz VIIRUMKNQNCRJJ-AWEZNQCLSA-N 1 2 334.441 3.629 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000741147524 1131582972 /nfs/dbraw/zinc/58/29/72/1131582972.db2.gz VIIRUMKNQNCRJJ-AWEZNQCLSA-N 1 2 334.441 3.629 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)c3cccc(-c4cnn(C)c4)c3)cc2[nH+]1 ZINC000741664006 1131633298 /nfs/dbraw/zinc/63/32/98/1131633298.db2.gz AVPJEGPGEZYUIY-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000741775316 1131645422 /nfs/dbraw/zinc/64/54/22/1131645422.db2.gz QGZPEECULHSSEO-ZIAGYGMSSA-N 1 2 332.469 3.817 20 0 EHADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000741775316 1131645428 /nfs/dbraw/zinc/64/54/28/1131645428.db2.gz QGZPEECULHSSEO-ZIAGYGMSSA-N 1 2 332.469 3.817 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000741797746 1131651839 /nfs/dbraw/zinc/65/18/39/1131651839.db2.gz PSRQDWNWVXZVID-AWEZNQCLSA-N 1 2 349.883 3.561 20 0 EHADLO C[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000741797746 1131651841 /nfs/dbraw/zinc/65/18/41/1131651841.db2.gz PSRQDWNWVXZVID-AWEZNQCLSA-N 1 2 349.883 3.561 20 0 EHADLO C/C(=C/C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)(C)C ZINC000742499845 1131739292 /nfs/dbraw/zinc/73/92/92/1131739292.db2.gz XJAFOGHLFCTEJP-QINSGFPZSA-N 1 2 344.503 3.549 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ncccc3-c3ccccc3)cc2)C1 ZINC001212665601 1131758310 /nfs/dbraw/zinc/75/83/10/1131758310.db2.gz WUPBRVUVUUMQDL-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO Cc1ccc([C@@H](C)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000742647879 1131762146 /nfs/dbraw/zinc/76/21/46/1131762146.db2.gz UVBRIEOHOIPCRB-MRXNPFEDSA-N 1 2 341.455 3.783 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cc(Cl)nc4ccccc43)cc2)C1 ZINC001212666655 1131765069 /nfs/dbraw/zinc/76/50/69/1131765069.db2.gz ZESQPYCCFFBWPQ-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(-c4ccccn4)c3)cc2)C1 ZINC001212670206 1131780336 /nfs/dbraw/zinc/78/03/36/1131780336.db2.gz MDHKBZDHLLZEHW-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO CC(C)Oc1c(F)cccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672408 1131789202 /nfs/dbraw/zinc/78/92/02/1131789202.db2.gz MCMXUQZRASIVPD-UHFFFAOYSA-N 1 2 330.403 3.533 20 0 EHADLO Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(C(F)(F)F)c1 ZINC001212671439 1131794026 /nfs/dbraw/zinc/79/40/26/1131794026.db2.gz NDQXZPANKVJLTH-UHFFFAOYSA-N 1 2 336.357 3.934 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000742859066 1131807339 /nfs/dbraw/zinc/80/73/39/1131807339.db2.gz SJAHHKGKCCLBLR-ZPUOCTKUSA-N 1 2 337.448 3.595 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H]1CCc3ccc(C)cc3C1)[C@@H]2C ZINC001172834069 1131857563 /nfs/dbraw/zinc/85/75/63/1131857563.db2.gz RVNCNDFQUNSPKL-APWZRJJASA-N 1 2 339.483 3.662 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H]1CCc3ccc(C)cc3C1)[C@@H]2C ZINC001172834069 1131857571 /nfs/dbraw/zinc/85/75/71/1131857571.db2.gz RVNCNDFQUNSPKL-APWZRJJASA-N 1 2 339.483 3.662 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371815 1131904658 /nfs/dbraw/zinc/90/46/58/1131904658.db2.gz COATXIRVGSTJEJ-LIRRHRJNSA-N 1 2 339.414 3.520 20 0 EHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000743371815 1131904662 /nfs/dbraw/zinc/90/46/62/1131904662.db2.gz COATXIRVGSTJEJ-LIRRHRJNSA-N 1 2 339.414 3.520 20 0 EHADLO CO[C@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)C1 ZINC001172924901 1131906476 /nfs/dbraw/zinc/90/64/76/1131906476.db2.gz ZKXDRMIZXBOAAZ-FHWLQOOXSA-N 1 2 347.499 3.877 20 0 EHADLO CCOC(=O)c1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)sc1C ZINC001212692212 1131916871 /nfs/dbraw/zinc/91/68/71/1131916871.db2.gz HOFTXNIWNSZTBB-UHFFFAOYSA-N 1 2 342.424 3.617 20 0 EHADLO COC(=O)c1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC001212694350 1131923121 /nfs/dbraw/zinc/92/31/21/1131923121.db2.gz WXMWIMWNFHWIML-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000743497374 1131930294 /nfs/dbraw/zinc/93/02/94/1131930294.db2.gz XUANIALMHOSQQI-UHFFFAOYSA-N 1 2 328.384 3.660 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001212696626 1131932519 /nfs/dbraw/zinc/93/25/19/1131932519.db2.gz AWGJRAHTMSTWDP-UHFFFAOYSA-N 1 2 348.450 3.636 20 0 EHADLO CC1(C)Cc2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2C(=O)N1 ZINC001212699816 1131934225 /nfs/dbraw/zinc/93/42/25/1131934225.db2.gz FXKVUNRAORJRKL-UHFFFAOYSA-N 1 2 346.434 3.740 20 0 EHADLO CCOC(=O)C1([NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)CCC1 ZINC001173077870 1131957897 /nfs/dbraw/zinc/95/78/97/1131957897.db2.gz HLLBDUZFYPLJDZ-GFCCVEGCSA-N 1 2 345.361 3.592 20 0 EHADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1SC(F)(F)F ZINC000743835636 1131982137 /nfs/dbraw/zinc/98/21/37/1131982137.db2.gz DBIRZRKYMGFBCH-PHIMTYICSA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1SC(F)(F)F ZINC000743835636 1131982139 /nfs/dbraw/zinc/98/21/39/1131982139.db2.gz DBIRZRKYMGFBCH-PHIMTYICSA-N 1 2 335.391 3.916 20 0 EHADLO CCOC(=O)[C@@H](CC)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000743844472 1131990156 /nfs/dbraw/zinc/99/01/56/1131990156.db2.gz NTXQCOUSXGDCAE-CQSZACIVSA-N 1 2 338.517 3.962 20 0 EHADLO C[C@H]1C[C@H]([N@@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001173172848 1131991127 /nfs/dbraw/zinc/99/11/27/1131991127.db2.gz GUDOPSBBCYBPAO-XYJFISCASA-N 1 2 347.503 3.534 20 0 EHADLO C[C@H]1C[C@H]([N@H+]2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)CCO1 ZINC001173172848 1131991131 /nfs/dbraw/zinc/99/11/31/1131991131.db2.gz GUDOPSBBCYBPAO-XYJFISCASA-N 1 2 347.503 3.534 20 0 EHADLO COc1cccc2c1C[C@H]([N@@H+]1CCc3c4ccccc4oc3C1)CO2 ZINC001173169237 1132000361 /nfs/dbraw/zinc/00/03/61/1132000361.db2.gz ZVIMGTQVDREQMG-AWEZNQCLSA-N 1 2 335.403 3.803 20 0 EHADLO COc1cccc2c1C[C@H]([N@H+]1CCc3c4ccccc4oc3C1)CO2 ZINC001173169237 1132000365 /nfs/dbraw/zinc/00/03/65/1132000365.db2.gz ZVIMGTQVDREQMG-AWEZNQCLSA-N 1 2 335.403 3.803 20 0 EHADLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(CC)cc1)[C@@H]2C ZINC001173240027 1132027705 /nfs/dbraw/zinc/02/77/05/1132027705.db2.gz MNDYOOSVIROIRK-IAGOWNOFSA-N 1 2 341.499 3.990 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(CC)cc1)[C@@H]2C ZINC001173240027 1132027713 /nfs/dbraw/zinc/02/77/13/1132027713.db2.gz MNDYOOSVIROIRK-IAGOWNOFSA-N 1 2 341.499 3.990 20 0 EHADLO CCc1ccc(C[C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001173239960 1132027920 /nfs/dbraw/zinc/02/79/20/1132027920.db2.gz VSYCVRYPPWLUAS-OXQOHEQNSA-N 1 2 325.452 3.554 20 0 EHADLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173339168 1132054161 /nfs/dbraw/zinc/05/41/61/1132054161.db2.gz MDLUGHAUTROCMY-RBUKOAKNSA-N 1 2 345.483 3.573 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(CCc3ccccc3)no2)Cc2ccccc21 ZINC000744384851 1132085915 /nfs/dbraw/zinc/08/59/15/1132085915.db2.gz IWDWOVDPHXUPCC-MRXNPFEDSA-N 1 2 333.435 3.974 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)Cc2ccccc21 ZINC000744384851 1132085924 /nfs/dbraw/zinc/08/59/24/1132085924.db2.gz IWDWOVDPHXUPCC-MRXNPFEDSA-N 1 2 333.435 3.974 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737556019 1132153565 /nfs/dbraw/zinc/15/35/65/1132153565.db2.gz XYPVSMFYNISSEW-UHFFFAOYSA-N 1 2 336.326 3.689 20 0 EHADLO Cc1cc(C)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001173829155 1132161449 /nfs/dbraw/zinc/16/14/49/1132161449.db2.gz OPNYTPIAMNZFNC-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO OC1CCN(c2ccc(Nc3ccccc3C(F)(F)F)c[nH+]2)CC1 ZINC001173841887 1132164183 /nfs/dbraw/zinc/16/41/83/1132164183.db2.gz KXTKSKNEMGMJGY-UHFFFAOYSA-N 1 2 337.345 3.805 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)cc(F)c1 ZINC001173914765 1132173198 /nfs/dbraw/zinc/17/31/98/1132173198.db2.gz RZBQKVOGNSUDJN-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccccc1Cl)c1ccccc1 ZINC000745097619 1132194355 /nfs/dbraw/zinc/19/43/55/1132194355.db2.gz HKFDMXQGOUCSEU-SFHVURJKSA-N 1 2 347.842 3.955 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccccc1Cl)c1ccccc1 ZINC000745097619 1132194361 /nfs/dbraw/zinc/19/43/61/1132194361.db2.gz HKFDMXQGOUCSEU-SFHVURJKSA-N 1 2 347.842 3.955 20 0 EHADLO CCOc1cc[nH+]cc1Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC001174072278 1132233880 /nfs/dbraw/zinc/23/38/80/1132233880.db2.gz CNQRTXDRVSWVHM-UHFFFAOYSA-N 1 2 325.412 3.850 20 0 EHADLO C[C@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@H](C)C1 ZINC000182654959 1132264422 /nfs/dbraw/zinc/26/44/22/1132264422.db2.gz NRFNBUAKFAVQFG-UONOGXRCSA-N 1 2 344.484 3.658 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@H](C)C1 ZINC000182654959 1132264429 /nfs/dbraw/zinc/26/44/29/1132264429.db2.gz NRFNBUAKFAVQFG-UONOGXRCSA-N 1 2 344.484 3.658 20 0 EHADLO CN(C)c1ccc(Nc2cccc(C(=O)NCc3ccccc3)c2)c[nH+]1 ZINC001174181091 1132270454 /nfs/dbraw/zinc/27/04/54/1132270454.db2.gz ARLPWVLAYRVJCI-UHFFFAOYSA-N 1 2 346.434 3.821 20 0 EHADLO CC(C)S(=O)(=O)c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001174268781 1132306185 /nfs/dbraw/zinc/30/61/85/1132306185.db2.gz BUHFWGRXUANOTK-UHFFFAOYSA-N 1 2 341.436 3.798 20 0 EHADLO Brc1cc(Nc2cccc3n[nH]cc32)cn2cc[nH+]c12 ZINC001174343393 1132324061 /nfs/dbraw/zinc/32/40/61/1132324061.db2.gz RFBFIKURCDCJEE-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1cc(Nc2cccc3[nH]ncc32)cn2cc[nH+]c12 ZINC001174343393 1132324069 /nfs/dbraw/zinc/32/40/69/1132324069.db2.gz RFBFIKURCDCJEE-UHFFFAOYSA-N 1 2 328.173 3.717 20 0 EHADLO Brc1ccc2[nH+]ccc(Nc3cnc4[nH]ccc4c3)c2c1 ZINC001174396054 1132331947 /nfs/dbraw/zinc/33/19/47/1132331947.db2.gz SRRZJHDXQJPZPC-UHFFFAOYSA-N 1 2 339.196 3.991 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3F)c[nH+]2)C1 ZINC001174399950 1132332558 /nfs/dbraw/zinc/33/25/58/1132332558.db2.gz CFEKMKAKAJHFSW-LBPRGKRZSA-N 1 2 341.308 3.554 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc(S(C)(=O)=O)c(F)c3)ccc21 ZINC001174384540 1132344905 /nfs/dbraw/zinc/34/49/05/1132344905.db2.gz YXIPPOPURXAMQQ-UHFFFAOYSA-N 1 2 347.415 3.903 20 0 EHADLO c1ccc2c(c1)C[C@@H]1c3c(cccc3Nc3cncnc3)CC[N@H+]1C2 ZINC001174385832 1132346191 /nfs/dbraw/zinc/34/61/91/1132346191.db2.gz DRIQWHBAIKOCGZ-HXUWFJFHSA-N 1 2 328.419 3.876 20 0 EHADLO c1ccc2c(c1)C[C@@H]1c3c(cccc3Nc3cncnc3)CC[N@@H+]1C2 ZINC001174385832 1132346198 /nfs/dbraw/zinc/34/61/98/1132346198.db2.gz DRIQWHBAIKOCGZ-HXUWFJFHSA-N 1 2 328.419 3.876 20 0 EHADLO Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)s1 ZINC001174421209 1132348604 /nfs/dbraw/zinc/34/86/04/1132348604.db2.gz AGBQLBFBEDUGLI-UHFFFAOYSA-N 1 2 332.469 3.820 20 0 EHADLO CCOC(=O)c1ccc2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2n1 ZINC001174414486 1132366857 /nfs/dbraw/zinc/36/68/57/1132366857.db2.gz FDSKWTCWIIOGCQ-UHFFFAOYSA-N 1 2 332.363 3.983 20 0 EHADLO O=C1CCCc2cccc(Nc3ccc(C[NH+]4CCOCC4)cc3)c21 ZINC001174448962 1132374320 /nfs/dbraw/zinc/37/43/20/1132374320.db2.gz YPKWKTOIUZFWJA-UHFFFAOYSA-N 1 2 336.435 3.781 20 0 EHADLO Nc1cc(Br)ncc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523721 1132400086 /nfs/dbraw/zinc/40/00/86/1132400086.db2.gz XVRKIEGUYQMVDH-UHFFFAOYSA-N 1 2 348.248 3.555 20 0 EHADLO Cc1cnn(-c2ccccn2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522508 1132400195 /nfs/dbraw/zinc/40/01/95/1132400195.db2.gz PHGCNNHUUDQFGM-UHFFFAOYSA-N 1 2 334.427 3.705 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1N1CCc2ccccc21 ZINC000188602193 1132436964 /nfs/dbraw/zinc/43/69/64/1132436964.db2.gz KECMMEYOHDPEMJ-UHFFFAOYSA-N 1 2 332.407 3.675 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1N1CCc2ccccc21 ZINC000188602193 1132436968 /nfs/dbraw/zinc/43/69/68/1132436968.db2.gz KECMMEYOHDPEMJ-UHFFFAOYSA-N 1 2 332.407 3.675 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cn2)cc1C ZINC000189303642 1132444081 /nfs/dbraw/zinc/44/40/81/1132444081.db2.gz XTEISKSMHZCVEV-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO Cc1ccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)cc1C ZINC000189303642 1132444087 /nfs/dbraw/zinc/44/40/87/1132444087.db2.gz XTEISKSMHZCVEV-UHFFFAOYSA-N 1 2 336.395 3.785 20 0 EHADLO c1c[nH+]c(Nc2ccc(N3CCOCC3)cc2)c(N2CCCCC2)c1 ZINC001174710214 1132449216 /nfs/dbraw/zinc/44/92/16/1132449216.db2.gz NJMXETBXTSQKIW-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO Cc1nc(NC(=O)CCc2c[nH]c[nH+]2)sc1Cc1ccc(C)cc1 ZINC000192789858 1132476632 /nfs/dbraw/zinc/47/66/32/1132476632.db2.gz BTWDTXYXZQAVHU-UHFFFAOYSA-N 1 2 340.452 3.645 20 0 EHADLO Cc1nc(NC(=O)CCc2c[nH+]c[nH]2)sc1Cc1ccc(C)cc1 ZINC000192789858 1132476635 /nfs/dbraw/zinc/47/66/35/1132476635.db2.gz BTWDTXYXZQAVHU-UHFFFAOYSA-N 1 2 340.452 3.645 20 0 EHADLO Cc1ccccc1C(NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1C ZINC000193817590 1132483055 /nfs/dbraw/zinc/48/30/55/1132483055.db2.gz QGQXLBLUQGNYKF-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO Cc1ccccc1C(NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1C ZINC000193817590 1132483058 /nfs/dbraw/zinc/48/30/58/1132483058.db2.gz QGQXLBLUQGNYKF-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO COc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(OC)c1OC ZINC001174900382 1132498225 /nfs/dbraw/zinc/49/82/25/1132498225.db2.gz ZYXMPJOUZXZHAW-UHFFFAOYSA-N 1 2 333.775 3.757 20 0 EHADLO Cc1ccc(Br)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976623 1132510910 /nfs/dbraw/zinc/51/09/10/1132510910.db2.gz YGHWGLLAGFWUGX-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1ccc(C(F)(F)F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174977185 1132511838 /nfs/dbraw/zinc/51/18/38/1132511838.db2.gz HKGHGMKFZMNZPX-UHFFFAOYSA-N 1 2 337.345 3.989 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407153 1132531568 /nfs/dbraw/zinc/53/15/68/1132531568.db2.gz GZHHEVYTGNZFPO-HOCLYGCPSA-N 1 2 335.455 3.964 20 0 EHADLO CCn1c(CNc2[nH+]cnc3c2cnn3C(C)(C)C)nc2ccccc21 ZINC000766388653 1132532656 /nfs/dbraw/zinc/53/26/56/1132532656.db2.gz VOANQPDXBPHMKY-UHFFFAOYSA-N 1 2 349.442 3.563 20 0 EHADLO CC[N@H+](CC(=O)NCC[C@H]1CCCS1)Cc1ccccc1Cl ZINC001168785077 1132535673 /nfs/dbraw/zinc/53/56/73/1132535673.db2.gz ZGWKESYUAUWWKA-OAHLLOKOSA-N 1 2 340.920 3.564 20 0 EHADLO CC[N@@H+](CC(=O)NCC[C@H]1CCCS1)Cc1ccccc1Cl ZINC001168785077 1132535682 /nfs/dbraw/zinc/53/56/82/1132535682.db2.gz ZGWKESYUAUWWKA-OAHLLOKOSA-N 1 2 340.920 3.564 20 0 EHADLO CC(C)(C)OC(=O)N1CCC(CSc2[nH+]cnc3[nH]ccc32)CC1 ZINC000766441637 1132544682 /nfs/dbraw/zinc/54/46/82/1132544682.db2.gz VOJXHAFXKQYECC-UHFFFAOYSA-N 1 2 348.472 3.697 20 0 EHADLO CC(=O)c1ccccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001175174355 1132588842 /nfs/dbraw/zinc/58/88/42/1132588842.db2.gz FBOGICJFJDMDPF-OKILXGFUSA-N 1 2 325.412 3.641 20 0 EHADLO CCOC(=O)C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H](C)c1ccccc1 ZINC001168893410 1132590020 /nfs/dbraw/zinc/59/00/20/1132590020.db2.gz HWYPVNVXFHHGGK-LPHOPBHVSA-N 1 2 333.472 3.554 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H](C)c1ccccc1 ZINC001168893410 1132590027 /nfs/dbraw/zinc/59/00/27/1132590027.db2.gz HWYPVNVXFHHGGK-LPHOPBHVSA-N 1 2 333.472 3.554 20 0 EHADLO O=C(c1ccccc1)N1CCC[C@@H](Nc2ccc(-n3cccc3)c[nH+]2)C1 ZINC001168896742 1132591234 /nfs/dbraw/zinc/59/12/34/1132591234.db2.gz XCSVBNMLKMMFEJ-GOSISDBHSA-N 1 2 346.434 3.589 20 0 EHADLO CN(C)c1ccc(Nc2cccc([C@H]3CN4C=CSC4=N3)c2)c[nH+]1 ZINC001175346680 1132628825 /nfs/dbraw/zinc/62/88/25/1132628825.db2.gz XJLMRLWJQXMSFA-MRXNPFEDSA-N 1 2 337.452 3.822 20 0 EHADLO Clc1cc(NCCc2cn3ccccc3[nH+]2)c2c(n1)CCCC2 ZINC001169000068 1132628814 /nfs/dbraw/zinc/62/88/14/1132628814.db2.gz BBWVEPPXPKCAPR-UHFFFAOYSA-N 1 2 326.831 3.916 20 0 EHADLO c1c(CCNc2cnc(Oc3ccccc3)nc2)[nH+]c2ccccn12 ZINC001169004769 1132630145 /nfs/dbraw/zinc/63/01/45/1132630145.db2.gz QWNBOSVZTKDTNH-UHFFFAOYSA-N 1 2 331.379 3.571 20 0 EHADLO COCCCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175350768 1132646020 /nfs/dbraw/zinc/64/60/20/1132646020.db2.gz BUJRCAUDZNIFJI-UHFFFAOYSA-N 1 2 345.418 3.980 20 0 EHADLO Cc1ccc(Br)nc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350446 1132646250 /nfs/dbraw/zinc/64/62/50/1132646250.db2.gz KVUXQIWNDZUYCP-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COC(Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1)OC ZINC001175353178 1132646969 /nfs/dbraw/zinc/64/69/69/1132646969.db2.gz WQXDPDDOMBXAIC-UHFFFAOYSA-N 1 2 327.428 3.587 20 0 EHADLO CC(C)(C)NC(=O)c1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352773 1132647501 /nfs/dbraw/zinc/64/75/01/1132647501.db2.gz RBXQAUQXLVCFLR-UHFFFAOYSA-N 1 2 338.455 3.954 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccc(Br)cc1C)C1CCC1 ZINC001169072880 1132651622 /nfs/dbraw/zinc/65/16/22/1132651622.db2.gz OOMFBWATMQDPOM-UHFFFAOYSA-N 1 2 340.261 3.675 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccc(Br)cc1C)C1CCC1 ZINC001169072880 1132651629 /nfs/dbraw/zinc/65/16/29/1132651629.db2.gz OOMFBWATMQDPOM-UHFFFAOYSA-N 1 2 340.261 3.675 20 0 EHADLO COc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1F ZINC001175395490 1132658803 /nfs/dbraw/zinc/65/88/03/1132658803.db2.gz IYGRTJBLYBJWPJ-UHFFFAOYSA-N 1 2 336.164 3.988 20 0 EHADLO CCNc1nc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cs1 ZINC001175436427 1132669382 /nfs/dbraw/zinc/66/93/82/1132669382.db2.gz IRVDGCBTBCORCS-UHFFFAOYSA-N 1 2 347.488 3.605 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4nccnc4c3)c2c1 ZINC001175486584 1132681391 /nfs/dbraw/zinc/68/13/91/1132681391.db2.gz PVQRZWCKQGASGX-UHFFFAOYSA-N 1 2 344.374 3.520 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(SC)nc1 ZINC001175653138 1132725643 /nfs/dbraw/zinc/72/56/43/1132725643.db2.gz MTNIIKVHLAWELO-UHFFFAOYSA-N 1 2 341.440 3.699 20 0 EHADLO CCOC(=O)[C@@H](C)[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001169343812 1132730734 /nfs/dbraw/zinc/73/07/34/1132730734.db2.gz VUQMSLCHCUFMSU-GFCCVEGCSA-N 1 2 345.361 3.500 20 0 EHADLO CCOC(=O)[C@@H](C)[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001169343812 1132730736 /nfs/dbraw/zinc/73/07/36/1132730736.db2.gz VUQMSLCHCUFMSU-GFCCVEGCSA-N 1 2 345.361 3.500 20 0 EHADLO Cc1[nH]c(=O)c(CNc2cccc(-c3c[nH+]cn3C)c2)c2c1CCCC2 ZINC001169403182 1132741422 /nfs/dbraw/zinc/74/14/22/1132741422.db2.gz MAUINSJZHOLCGU-UHFFFAOYSA-N 1 2 348.450 3.987 20 0 EHADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000804322993 1132747760 /nfs/dbraw/zinc/74/77/60/1132747760.db2.gz CGJDTFYEFXMVEF-RDJZCZTQSA-N 1 2 349.434 3.956 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cnccc2Br)c[nH+]1 ZINC001175706754 1132754934 /nfs/dbraw/zinc/75/49/34/1132754934.db2.gz SDOAWUCLJBEYIC-UHFFFAOYSA-N 1 2 333.111 3.584 20 0 EHADLO Cn1nc(-c2ccccc2)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710214 1132756076 /nfs/dbraw/zinc/75/60/76/1132756076.db2.gz ZIZAIXSMAUJWCT-UHFFFAOYSA-N 1 2 333.317 3.827 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001175782661 1132765453 /nfs/dbraw/zinc/76/54/53/1132765453.db2.gz MKRSFVVMOXVTFY-HNNXBMFYSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001175782661 1132765460 /nfs/dbraw/zinc/76/54/60/1132765460.db2.gz MKRSFVVMOXVTFY-HNNXBMFYSA-N 1 2 340.414 3.844 20 0 EHADLO COc1cc(C)[nH+]c(CN2CCN(C3CC3)c3ccc(F)cc32)c1 ZINC001169494285 1132770657 /nfs/dbraw/zinc/77/06/57/1132770657.db2.gz HDLRWGGMBOKRBL-UHFFFAOYSA-N 1 2 327.403 3.527 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3ccsc3[C@@H]2C)s1 ZINC001175830254 1132770922 /nfs/dbraw/zinc/77/09/22/1132770922.db2.gz JCVFKIUUEJLZAX-LBPRGKRZSA-N 1 2 334.510 3.608 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3ccsc3[C@@H]2C)s1 ZINC001175830254 1132770925 /nfs/dbraw/zinc/77/09/25/1132770925.db2.gz JCVFKIUUEJLZAX-LBPRGKRZSA-N 1 2 334.510 3.608 20 0 EHADLO Fc1cccc(Cl)c1CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC001175869396 1132788993 /nfs/dbraw/zinc/78/89/93/1132788993.db2.gz BYDQZYVKUGXEHB-ZDUSSCGKSA-N 1 2 325.733 3.675 20 0 EHADLO Fc1cccc(Cl)c1CC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC001175869396 1132789000 /nfs/dbraw/zinc/78/90/00/1132789000.db2.gz BYDQZYVKUGXEHB-ZDUSSCGKSA-N 1 2 325.733 3.675 20 0 EHADLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1CO ZINC001175979780 1132806390 /nfs/dbraw/zinc/80/63/90/1132806390.db2.gz KTAHIAZOHJTGEE-UHFFFAOYSA-N 1 2 345.399 3.673 20 0 EHADLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766780088 1132815414 /nfs/dbraw/zinc/81/54/14/1132815414.db2.gz NPKJYCSHPAAUFM-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(Cl)ccc1Cl ZINC000766780088 1132815420 /nfs/dbraw/zinc/81/54/20/1132815420.db2.gz NPKJYCSHPAAUFM-GFCCVEGCSA-N 1 2 325.239 3.771 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](Cc1nc(C)c(C)o1)CC2 ZINC001176068518 1132841296 /nfs/dbraw/zinc/84/12/96/1132841296.db2.gz AGDRAYSWFXSUCH-FQEVSTJZSA-N 1 2 342.439 3.818 20 0 EHADLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](Cc1nc(C)c(C)o1)CC2 ZINC001176068518 1132841308 /nfs/dbraw/zinc/84/13/08/1132841308.db2.gz AGDRAYSWFXSUCH-FQEVSTJZSA-N 1 2 342.439 3.818 20 0 EHADLO O=C1NCc2ccc(CNc3ccc(C4(C(F)(F)F)CC4)c[nH+]3)cc21 ZINC001169764017 1132851424 /nfs/dbraw/zinc/85/14/24/1132851424.db2.gz LDQDVPVDQZZJBK-UHFFFAOYSA-N 1 2 347.340 3.531 20 0 EHADLO COc1cc[nH+]cc1Nc1ncc(Br)cc1OC(F)F ZINC001176119369 1132852262 /nfs/dbraw/zinc/85/22/62/1132852262.db2.gz XVZCYYCCDVFJDQ-UHFFFAOYSA-N 1 2 346.131 3.593 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000766883633 1132902812 /nfs/dbraw/zinc/90/28/12/1132902812.db2.gz XCPTVYWIIQIITK-QWHCGFSZSA-N 1 2 346.308 3.599 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000766980905 1132926457 /nfs/dbraw/zinc/92/64/57/1132926457.db2.gz MOCHNWXHGHOPRY-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000766980905 1132926460 /nfs/dbraw/zinc/92/64/60/1132926460.db2.gz MOCHNWXHGHOPRY-MRXNPFEDSA-N 1 2 338.451 3.812 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2cccn3cc[nH+]c23)ccc1F ZINC001176513780 1132953842 /nfs/dbraw/zinc/95/38/42/1132953842.db2.gz CYKAGXBGJXEDKW-UHFFFAOYSA-N 1 2 326.375 3.699 20 0 EHADLO Clc1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001176552548 1132965240 /nfs/dbraw/zinc/96/52/40/1132965240.db2.gz CFIWWPDFSLNJCV-UHFFFAOYSA-N 1 2 332.831 3.795 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@@H+]([C@@H](C)c1ccccc1F)C2 ZINC001176658733 1132986665 /nfs/dbraw/zinc/98/66/65/1132986665.db2.gz WJWGTKSHTLHRAM-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO COC(=O)c1cccc2c1OCC[N@H+]([C@@H](C)c1ccccc1F)C2 ZINC001176658733 1132986667 /nfs/dbraw/zinc/98/66/67/1132986667.db2.gz WJWGTKSHTLHRAM-ZDUSSCGKSA-N 1 2 329.371 3.568 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC001176735641 1132989614 /nfs/dbraw/zinc/98/96/14/1132989614.db2.gz ZTNJPOLWEDDXON-UHFFFAOYSA-N 1 2 333.863 3.858 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC001176735641 1132989615 /nfs/dbraw/zinc/98/96/15/1132989615.db2.gz ZTNJPOLWEDDXON-UHFFFAOYSA-N 1 2 333.863 3.858 20 0 EHADLO Cc1nc(Nc2ccc[nH+]c2N2CCCC2)nc(C)c1Br ZINC001176743440 1132991168 /nfs/dbraw/zinc/99/11/68/1132991168.db2.gz KTBAYIYCSOTFEL-UHFFFAOYSA-N 1 2 348.248 3.595 20 0 EHADLO O=C(/C=C/SCc1ccco1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767389674 1132995263 /nfs/dbraw/zinc/99/52/63/1132995263.db2.gz JLKVTZKSAZOIPH-YRNVUSSQSA-N 1 2 340.404 3.956 20 0 EHADLO Cc1cc(C)c2cc(C(=O)OCc3cc[nH+]c(N(C)C)c3)sc2n1 ZINC000767457874 1133005610 /nfs/dbraw/zinc/00/56/10/1133005610.db2.gz RRSWQQUEUUHYKL-UHFFFAOYSA-N 1 2 341.436 3.731 20 0 EHADLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)CCn1cc[nH+]c1 ZINC001176877965 1133006019 /nfs/dbraw/zinc/00/60/19/1133006019.db2.gz QUTPKKBOIVCGEH-IRLDBZIGSA-N 1 2 343.430 3.676 20 0 EHADLO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)CCn2cc[nH+]c2)c1 ZINC001176878859 1133006275 /nfs/dbraw/zinc/00/62/75/1133006275.db2.gz OVYGVPYUYLPMHW-UHFFFAOYSA-N 1 2 347.418 3.760 20 0 EHADLO Cc1cccnc1[C@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001176896796 1133013382 /nfs/dbraw/zinc/01/33/82/1133013382.db2.gz JSQDBOOCRLHARC-INIZCTEOSA-N 1 2 332.451 3.915 20 0 EHADLO CN(C)c1cc(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc[nH+]1 ZINC000767554936 1133014437 /nfs/dbraw/zinc/01/44/37/1133014437.db2.gz LBGWXTMZQBIFLN-UHFFFAOYSA-N 1 2 339.370 3.639 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3C)CCO2)cc1OC ZINC001176947018 1133015183 /nfs/dbraw/zinc/01/51/83/1133015183.db2.gz TUHRWFOXIIOHLP-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3C)CCO2)cc1OC ZINC001176947018 1133015190 /nfs/dbraw/zinc/01/51/90/1133015190.db2.gz TUHRWFOXIIOHLP-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC001177012344 1133021898 /nfs/dbraw/zinc/02/18/98/1133021898.db2.gz AYUIHCWUPFUINT-KUHUBIRLSA-N 1 2 344.405 3.632 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001177045024 1133025515 /nfs/dbraw/zinc/02/55/15/1133025515.db2.gz BHNMXPMWOXOOOV-RSPOEFSDSA-N 1 2 344.474 3.857 20 0 EHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC001177045268 1133025831 /nfs/dbraw/zinc/02/58/31/1133025831.db2.gz HFQHCVODYIWREI-GOSISDBHSA-N 1 2 344.430 3.945 20 0 EHADLO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000767861037 1133061005 /nfs/dbraw/zinc/06/10/05/1133061005.db2.gz RYKMYLXDUYEKAT-QGZVFWFLSA-N 1 2 338.455 3.825 20 0 EHADLO Fc1ccc(C[NH2+]Cc2ncc(Br)cc2F)cc1F ZINC001177487525 1133069198 /nfs/dbraw/zinc/06/91/98/1133069198.db2.gz CTOIZKFGJCVHNV-UHFFFAOYSA-N 1 2 331.135 3.551 20 0 EHADLO CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000767941446 1133073680 /nfs/dbraw/zinc/07/36/80/1133073680.db2.gz WKFUZUONEGCTQK-GUYCJALGSA-N 1 2 333.476 3.817 20 0 EHADLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1csc2ccccc21 ZINC000767946669 1133073933 /nfs/dbraw/zinc/07/39/33/1133073933.db2.gz WMKXHVIXTQKVOV-AWEZNQCLSA-N 1 2 342.468 3.891 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cn1ccc(Br)n1 ZINC000767974343 1133076268 /nfs/dbraw/zinc/07/62/68/1133076268.db2.gz NOKBRIUXWAAQPA-WCQYABFASA-N 1 2 338.224 3.620 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1ccc(Br)n1 ZINC000767974343 1133076272 /nfs/dbraw/zinc/07/62/72/1133076272.db2.gz NOKBRIUXWAAQPA-WCQYABFASA-N 1 2 338.224 3.620 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC001204202370 1133094452 /nfs/dbraw/zinc/09/44/52/1133094452.db2.gz BAPUDCMEQHBBCX-GOSISDBHSA-N 1 2 340.414 3.844 20 0 EHADLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001204202370 1133094458 /nfs/dbraw/zinc/09/44/58/1133094458.db2.gz BAPUDCMEQHBBCX-GOSISDBHSA-N 1 2 340.414 3.844 20 0 EHADLO O=C(Cc1ccccc1-c1cccnc1)Nc1ccn2cc[nH+]c2c1 ZINC001177971725 1133116328 /nfs/dbraw/zinc/11/63/28/1133116328.db2.gz XJYFWONYPHDCAL-UHFFFAOYSA-N 1 2 328.375 3.578 20 0 EHADLO C[C@H](C(=O)NCc1c(Cl)ccc(Cl)c1Cl)n1cc[nH+]c1 ZINC001177929203 1133116358 /nfs/dbraw/zinc/11/63/58/1133116358.db2.gz IWTCRJHUJQTOGD-MRVPVSSYSA-N 1 2 332.618 3.721 20 0 EHADLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001177994904 1133127220 /nfs/dbraw/zinc/12/72/20/1133127220.db2.gz MDMHONXBHOWVNR-KNQAVFIVSA-N 1 2 343.430 3.745 20 0 EHADLO O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178100356 1133131685 /nfs/dbraw/zinc/13/16/85/1133131685.db2.gz OMLFMANLVKPHNY-GFCCVEGCSA-N 1 2 349.356 3.678 20 0 EHADLO COc1cc(F)c(CNc2ccc(-n3cc[nH+]c3)c(C)c2)cc1OC ZINC001178138198 1133135424 /nfs/dbraw/zinc/13/54/24/1133135424.db2.gz ADAHYXLXWMJGEC-UHFFFAOYSA-N 1 2 341.386 3.949 20 0 EHADLO CC(C)C[C@H](C(=O)NCCC1(c2ccccc2)CC1)n1cc[nH+]c1 ZINC001178180336 1133139412 /nfs/dbraw/zinc/13/94/12/1133139412.db2.gz ZZGACSHHYJDNLZ-GOSISDBHSA-N 1 2 325.456 3.708 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001204214241 1133152059 /nfs/dbraw/zinc/15/20/59/1133152059.db2.gz PVAIVPKPPZKVBY-CYBMUJFWSA-N 1 2 340.414 3.654 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001204214241 1133152062 /nfs/dbraw/zinc/15/20/62/1133152062.db2.gz PVAIVPKPPZKVBY-CYBMUJFWSA-N 1 2 340.414 3.654 20 0 EHADLO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(Cl)cc1F ZINC001178538161 1133177497 /nfs/dbraw/zinc/17/74/97/1133177497.db2.gz YHSLCPVTGIDIIK-UHFFFAOYSA-N 1 2 327.758 3.925 20 0 EHADLO CCc1[nH]c(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)c[nH+]1 ZINC001178669825 1133189072 /nfs/dbraw/zinc/18/90/72/1133189072.db2.gz NJNKEWJJXFVXGA-UHFFFAOYSA-N 1 2 338.238 3.627 20 0 EHADLO CCc1[nH]cc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)[nH+]1 ZINC001178669825 1133189073 /nfs/dbraw/zinc/18/90/73/1133189073.db2.gz NJNKEWJJXFVXGA-UHFFFAOYSA-N 1 2 338.238 3.627 20 0 EHADLO C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1cccc(C(N)=O)c1 ZINC000768925417 1133204084 /nfs/dbraw/zinc/20/40/84/1133204084.db2.gz DRTPBCUNTMSJCA-UHFFFAOYSA-N 1 2 329.469 3.532 20 0 EHADLO C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1cccc(C(N)=O)c1 ZINC000768925417 1133204089 /nfs/dbraw/zinc/20/40/89/1133204089.db2.gz DRTPBCUNTMSJCA-UHFFFAOYSA-N 1 2 329.469 3.532 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000769077020 1133225789 /nfs/dbraw/zinc/22/57/89/1133225789.db2.gz YAVXCZNFQDYODN-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000769077020 1133225794 /nfs/dbraw/zinc/22/57/94/1133225794.db2.gz YAVXCZNFQDYODN-LBPRGKRZSA-N 1 2 328.815 3.578 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1nc2ccccc2s1 ZINC000769223892 1133246217 /nfs/dbraw/zinc/24/62/17/1133246217.db2.gz YIGMSZGWUKAUEM-LLVKDONJSA-N 1 2 339.424 3.536 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769240797 1133249188 /nfs/dbraw/zinc/24/91/88/1133249188.db2.gz MRWWWVHFDJPKSX-LBPRGKRZSA-N 1 2 342.349 3.634 20 0 EHADLO COc1cc(F)cc(OC)c1C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001180093357 1133322505 /nfs/dbraw/zinc/32/25/05/1133322505.db2.gz ROZMXFLAXDCWFJ-UHFFFAOYSA-N 1 2 328.387 3.956 20 0 EHADLO COc1cc(F)cc(OC)c1C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001180093357 1133322508 /nfs/dbraw/zinc/32/25/08/1133322508.db2.gz ROZMXFLAXDCWFJ-UHFFFAOYSA-N 1 2 328.387 3.956 20 0 EHADLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC001180082560 1133326739 /nfs/dbraw/zinc/32/67/39/1133326739.db2.gz SATDYNAXVMVCMM-SICOMBFOSA-N 1 2 340.389 3.709 20 0 EHADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C(C)=C/c1ccccc1C(F)(F)F ZINC001180082560 1133326743 /nfs/dbraw/zinc/32/67/43/1133326743.db2.gz SATDYNAXVMVCMM-SICOMBFOSA-N 1 2 340.389 3.709 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2ccccc2c1O ZINC000769723325 1133335647 /nfs/dbraw/zinc/33/56/47/1133335647.db2.gz WLZDDWMEWIUBFW-KRWDZBQOSA-N 1 2 337.423 3.587 20 0 EHADLO COc1nc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)ccc1C ZINC001180149347 1133338886 /nfs/dbraw/zinc/33/88/86/1133338886.db2.gz VQVUGOQGTFHOQP-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)ccc1C ZINC001180149347 1133338890 /nfs/dbraw/zinc/33/88/90/1133338890.db2.gz VQVUGOQGTFHOQP-LPHOPBHVSA-N 1 2 326.440 3.669 20 0 EHADLO CCN(CC)C(=O)N1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC001180271747 1133354106 /nfs/dbraw/zinc/35/41/06/1133354106.db2.gz RHUBKMOUMOIALR-OAHLLOKOSA-N 1 2 337.895 3.523 20 0 EHADLO COc1ccccc1/C=C/C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001180529586 1133383023 /nfs/dbraw/zinc/38/30/23/1133383023.db2.gz HICHTBLPMNQSLN-FMIVXFBMSA-N 1 2 347.418 3.553 20 0 EHADLO CCCn1cncc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC001180540806 1133389438 /nfs/dbraw/zinc/38/94/38/1133389438.db2.gz SQORDUGJZPXRML-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO CCCn1cncc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC001180540806 1133389444 /nfs/dbraw/zinc/38/94/44/1133389444.db2.gz SQORDUGJZPXRML-UHFFFAOYSA-N 1 2 327.350 3.824 20 0 EHADLO CCCn1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(C)n1 ZINC001180558875 1133391221 /nfs/dbraw/zinc/39/12/21/1133391221.db2.gz YBAHGYFWGZFWDO-UHFFFAOYSA-N 1 2 346.906 3.573 20 0 EHADLO CCCn1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(C)n1 ZINC001180558875 1133391228 /nfs/dbraw/zinc/39/12/28/1133391228.db2.gz YBAHGYFWGZFWDO-UHFFFAOYSA-N 1 2 346.906 3.573 20 0 EHADLO COc1ccc(C2(NC(=O)c3cccc4[nH+]ccn43)CCCC2)cc1 ZINC000770415468 1133425827 /nfs/dbraw/zinc/42/58/27/1133425827.db2.gz JTXVZJOXWDFXJB-UHFFFAOYSA-N 1 2 335.407 3.542 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@H+]1CC[C@@H](C)C3(CCC3)C1)c2=O ZINC000770670061 1133457276 /nfs/dbraw/zinc/45/72/76/1133457276.db2.gz HQOUHVPLQMIWHH-CYBMUJFWSA-N 1 2 331.485 3.544 20 0 EHADLO Cc1cc(C)c2c(n1)sn(C[N@@H+]1CC[C@@H](C)C3(CCC3)C1)c2=O ZINC000770670061 1133457278 /nfs/dbraw/zinc/45/72/78/1133457278.db2.gz HQOUHVPLQMIWHH-CYBMUJFWSA-N 1 2 331.485 3.544 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181135812 1133457923 /nfs/dbraw/zinc/45/79/23/1133457923.db2.gz WJJUEILYVQZXCB-NSHDSACASA-N 1 2 349.324 3.642 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181135812 1133457925 /nfs/dbraw/zinc/45/79/25/1133457925.db2.gz WJJUEILYVQZXCB-NSHDSACASA-N 1 2 349.324 3.642 20 0 EHADLO CCCN(CCc1cccc(F)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000770653141 1133460415 /nfs/dbraw/zinc/46/04/15/1133460415.db2.gz BYKVRNQPMKECGE-UHFFFAOYSA-N 1 2 325.387 3.568 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)C1 ZINC001181359599 1133480692 /nfs/dbraw/zinc/48/06/92/1133480692.db2.gz CXIBDCSLYGXAQK-GDBMZVCRSA-N 1 2 345.874 3.680 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC001181350086 1133483093 /nfs/dbraw/zinc/48/30/93/1133483093.db2.gz PXJFDEBJSLVODK-BZUAXINKSA-N 1 2 343.446 3.877 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)c1cncc(-c2ccccc2)c1 ZINC000770921610 1133483990 /nfs/dbraw/zinc/48/39/90/1133483990.db2.gz RUPHFQLITDJZCS-UHFFFAOYSA-N 1 2 329.359 3.753 20 0 EHADLO O=C(CSc1ccc2c(c1)CCC2)OCc1cccc2[nH+]ccn21 ZINC000770924870 1133485224 /nfs/dbraw/zinc/48/52/24/1133485224.db2.gz JIQDEKSYELNNAT-UHFFFAOYSA-N 1 2 338.432 3.659 20 0 EHADLO Cc1ccc(-c2nc(C(=O)OCc3cccc4[nH+]ccn43)cs2)o1 ZINC000770926787 1133485798 /nfs/dbraw/zinc/48/57/98/1133485798.db2.gz SKDBNAJCTZFRBR-UHFFFAOYSA-N 1 2 339.376 3.716 20 0 EHADLO Cc1c[nH]c(CCNC(=O)C2(c3ccc(C)cc3)CCCCC2)[nH+]1 ZINC001181872061 1133543946 /nfs/dbraw/zinc/54/39/46/1133543946.db2.gz LIFCROOKGAHUPY-UHFFFAOYSA-N 1 2 325.456 3.587 20 0 EHADLO CC(C)(C)n1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cn1 ZINC000771546320 1133567346 /nfs/dbraw/zinc/56/73/46/1133567346.db2.gz IKCOOAISJVRIJZ-UHFFFAOYSA-N 1 2 334.383 3.541 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1Cl ZINC001182219174 1133598135 /nfs/dbraw/zinc/59/81/35/1133598135.db2.gz ONZFZSOSUWPHRV-QGZVFWFLSA-N 1 2 346.862 3.962 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)OCc1c[nH+]cn1C ZINC000774138767 1133612911 /nfs/dbraw/zinc/61/29/11/1133612911.db2.gz OBIKZXUPUIVNRE-UHFFFAOYSA-N 1 2 327.409 3.517 20 0 EHADLO O=C(CCOc1ccccc1-c1ccccc1)OCCn1cc[nH+]c1 ZINC000771914921 1133615557 /nfs/dbraw/zinc/61/55/57/1133615557.db2.gz FSJVMYWGUFSRGF-UHFFFAOYSA-N 1 2 336.391 3.562 20 0 EHADLO CCC(C)(C)NC(=S)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000774203776 1133632483 /nfs/dbraw/zinc/63/24/83/1133632483.db2.gz RTEXAOWEANYNLB-QGZVFWFLSA-N 1 2 344.528 3.894 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000772030525 1133635849 /nfs/dbraw/zinc/63/58/49/1133635849.db2.gz DYYVSFIFXFXRNQ-UHFFFAOYSA-N 1 2 328.318 3.685 20 0 EHADLO C[C@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000780426577 1133659809 /nfs/dbraw/zinc/65/98/09/1133659809.db2.gz GYKOMKXDGQCDEU-QUCCMNQESA-N 1 2 327.472 3.605 20 0 EHADLO C[C@]1(C2CCCC2)CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000780426577 1133659810 /nfs/dbraw/zinc/65/98/10/1133659810.db2.gz GYKOMKXDGQCDEU-QUCCMNQESA-N 1 2 327.472 3.605 20 0 EHADLO COCc1ccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000774485424 1133689116 /nfs/dbraw/zinc/68/91/16/1133689116.db2.gz NYDRXVJEGWFFFC-UHFFFAOYSA-N 1 2 339.483 3.980 20 0 EHADLO CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489381 1133694430 /nfs/dbraw/zinc/69/44/30/1133694430.db2.gz LCXQTQRWNAAIOT-YOEHRIQHSA-N 1 2 335.492 3.544 20 0 EHADLO CCCn1cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)c(C)n1 ZINC001182489381 1133694434 /nfs/dbraw/zinc/69/44/34/1133694434.db2.gz LCXQTQRWNAAIOT-YOEHRIQHSA-N 1 2 335.492 3.544 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785610909 1133731385 /nfs/dbraw/zinc/73/13/85/1133731385.db2.gz WPVXYJWWIPZPPB-UHFFFAOYSA-N 1 2 344.886 3.561 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785610909 1133731389 /nfs/dbraw/zinc/73/13/89/1133731389.db2.gz WPVXYJWWIPZPPB-UHFFFAOYSA-N 1 2 344.886 3.561 20 0 EHADLO C[C@H](NC(=O)c1ccnc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019250 1133760955 /nfs/dbraw/zinc/76/09/55/1133760955.db2.gz WVFXQZKFEAYXLZ-HNNXBMFYSA-N 1 2 342.402 3.912 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752339 1133854219 /nfs/dbraw/zinc/85/42/19/1133854219.db2.gz MJLIGSFXXSFAFA-IBGZPJMESA-N 1 2 336.435 3.688 20 0 EHADLO O=C(Nc1ccccc1OCC1CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752339 1133854226 /nfs/dbraw/zinc/85/42/26/1133854226.db2.gz MJLIGSFXXSFAFA-IBGZPJMESA-N 1 2 336.435 3.688 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001183786625 1133858056 /nfs/dbraw/zinc/85/80/56/1133858056.db2.gz VDTHZYIPLAMVNS-LBPRGKRZSA-N 1 2 348.381 3.698 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC001183939999 1133874632 /nfs/dbraw/zinc/87/46/32/1133874632.db2.gz VOSODZXJZFYAKQ-OAHLLOKOSA-N 1 2 325.456 3.672 20 0 EHADLO C[C@@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1)c1cc(F)cc(F)c1 ZINC001184002648 1133888181 /nfs/dbraw/zinc/88/81/81/1133888181.db2.gz SCTDJZZKXZNZKD-YUMQZZPRSA-N 1 2 334.292 3.556 20 0 EHADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1)c1nccc2ccccc21 ZINC001184328876 1133927883 /nfs/dbraw/zinc/92/78/83/1133927883.db2.gz UEGFEJANAWGWNG-KZULUSFZSA-N 1 2 339.826 3.765 20 0 EHADLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccnc(Cl)c3)n2)c1 ZINC000787011672 1133933958 /nfs/dbraw/zinc/93/39/58/1133933958.db2.gz KAYHPXWYEIINCC-NWDGAFQWSA-N 1 2 342.834 3.635 20 0 EHADLO Cc1c(C)c(C)c(CC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1C ZINC001184424555 1133939978 /nfs/dbraw/zinc/93/99/78/1133939978.db2.gz VATZIMZHCXUKBQ-UHFFFAOYSA-N 1 2 339.483 3.831 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000787145198 1133959888 /nfs/dbraw/zinc/95/98/88/1133959888.db2.gz RVOFHAWJGABYQJ-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000787145198 1133959893 /nfs/dbraw/zinc/95/98/93/1133959893.db2.gz RVOFHAWJGABYQJ-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc3c(cc2=O)CCCC3)cc1C ZINC000746659775 1133966325 /nfs/dbraw/zinc/96/63/25/1133966325.db2.gz FIVQAKSOHMKNAR-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc3c(cc2=O)CCCC3)cc1C ZINC000746659775 1133966328 /nfs/dbraw/zinc/96/63/28/1133966328.db2.gz FIVQAKSOHMKNAR-HXUWFJFHSA-N 1 2 337.467 3.534 20 0 EHADLO FC(F)(F)c1nc(Cl)ccc1CN1CCC(n2cc[nH+]c2)CC1 ZINC000787258476 1133979920 /nfs/dbraw/zinc/97/99/20/1133979920.db2.gz ZSEUKCKHSPXJHK-UHFFFAOYSA-N 1 2 344.768 3.787 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000787230259 1133981932 /nfs/dbraw/zinc/98/19/32/1133981932.db2.gz YUVSVELLSWAARC-UHFFFAOYSA-N 1 2 329.787 3.779 20 0 EHADLO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1ccccc1OC ZINC000787278323 1133984515 /nfs/dbraw/zinc/98/45/15/1133984515.db2.gz DGMSPCAVOWCMTQ-RHSMWYFYSA-N 1 2 343.475 3.989 20 0 EHADLO Nc1cc(COC(=O)CC(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000787591456 1134017627 /nfs/dbraw/zinc/01/76/27/1134017627.db2.gz LLSBIRDAQFGOLO-UHFFFAOYSA-N 1 2 332.403 3.929 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282947 1134107454 /nfs/dbraw/zinc/10/74/54/1134107454.db2.gz VEDZINILJKUWNW-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000788282947 1134107458 /nfs/dbraw/zinc/10/74/58/1134107458.db2.gz VEDZINILJKUWNW-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000788282947 1134107461 /nfs/dbraw/zinc/10/74/61/1134107461.db2.gz VEDZINILJKUWNW-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000788282947 1134107464 /nfs/dbraw/zinc/10/74/64/1134107464.db2.gz VEDZINILJKUWNW-DOMZBBRYSA-N 1 2 346.368 3.578 20 0 EHADLO O=C1c2cc(F)ccc2CN1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000788373542 1134118345 /nfs/dbraw/zinc/11/83/45/1134118345.db2.gz RCXOASFUFZJWKH-UHFFFAOYSA-N 1 2 342.389 3.700 20 0 EHADLO Clc1nc(C[NH+]2CCN(c3ccccn3)CC2)cc2ccccc21 ZINC000788472864 1134129705 /nfs/dbraw/zinc/12/97/05/1134129705.db2.gz DBDLFJQXJYOMPG-UHFFFAOYSA-N 1 2 338.842 3.605 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc4ccccc4c(Cl)n3)C2)n[nH]1 ZINC000788490260 1134131238 /nfs/dbraw/zinc/13/12/38/1134131238.db2.gz ZPSYDOPPUKSWPP-AWEZNQCLSA-N 1 2 341.846 3.694 20 0 EHADLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(-c3cc[nH]n3)o1)CCC2 ZINC000788521829 1134136838 /nfs/dbraw/zinc/13/68/38/1134136838.db2.gz FJXZJLDCCFQIAE-MRXNPFEDSA-N 1 2 325.416 3.614 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788560030 1134142152 /nfs/dbraw/zinc/14/21/52/1134142152.db2.gz AOROCKSKQRBECP-KRWDZBQOSA-N 1 2 347.842 3.726 20 0 EHADLO CCCCc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ncn1 ZINC001185915039 1134151449 /nfs/dbraw/zinc/15/14/49/1134151449.db2.gz UNBRCVWHQXMVRM-UHFFFAOYSA-N 1 2 327.476 3.713 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788613973 1134151907 /nfs/dbraw/zinc/15/19/07/1134151907.db2.gz YYDLDQDKMSMRNS-APPZFPTMSA-N 1 2 342.212 4.000 20 0 EHADLO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3ncc(Cl)s3)C2=O)c(C)c1 ZINC000788972860 1134198787 /nfs/dbraw/zinc/19/87/87/1134198787.db2.gz IXNBLQNEMSSEKU-CYBMUJFWSA-N 1 2 349.887 3.617 20 0 EHADLO C[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074686842 1134221399 /nfs/dbraw/zinc/22/13/99/1134221399.db2.gz CIPCGEAMHAJQIZ-JKSUJKDBSA-N 1 2 341.455 3.787 20 0 EHADLO CN(C)c1cc(COC(=O)Cc2cccc(Cl)c2Cl)cc[nH+]1 ZINC000789252152 1134243841 /nfs/dbraw/zinc/24/38/41/1134243841.db2.gz UILJMZCJXFMOHP-UHFFFAOYSA-N 1 2 339.222 3.740 20 0 EHADLO CC(C)(C)C[C@H]1CC(=O)N(C[NH+]2CCC(CC(F)(F)F)CC2)C1 ZINC000789527514 1134291083 /nfs/dbraw/zinc/29/10/83/1134291083.db2.gz KMJDGSVXMCBBOI-CQSZACIVSA-N 1 2 334.426 3.893 20 0 EHADLO CCOC1CC(CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000789744330 1134331446 /nfs/dbraw/zinc/33/14/46/1134331446.db2.gz SWTDHXOHGABYQP-UHFFFAOYSA-N 1 2 327.428 3.837 20 0 EHADLO C/C(=C/C(=O)OCCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000789773138 1134337426 /nfs/dbraw/zinc/33/74/26/1134337426.db2.gz UOYXSLGXMHUEGT-XFXZXTDPSA-N 1 2 338.329 3.628 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccnn3CC3CCC3)ccc21 ZINC001273543636 1134354634 /nfs/dbraw/zinc/35/46/34/1134354634.db2.gz KJRUMQIADKNPIG-UHFFFAOYSA-N 1 2 349.438 3.550 20 0 EHADLO CCn1ccc(C[N@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000790451680 1134420433 /nfs/dbraw/zinc/42/04/33/1134420433.db2.gz PLJAACCKDTWRQM-QGZVFWFLSA-N 1 2 331.847 3.524 20 0 EHADLO CCn1ccc(C[N@@H+](C)CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000790451680 1134420438 /nfs/dbraw/zinc/42/04/38/1134420438.db2.gz PLJAACCKDTWRQM-QGZVFWFLSA-N 1 2 331.847 3.524 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1ccccn1 ZINC000790495005 1134426083 /nfs/dbraw/zinc/42/60/83/1134426083.db2.gz HFSYDKTWGPFIRS-CQSZACIVSA-N 1 2 326.831 3.831 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001188131488 1134431279 /nfs/dbraw/zinc/43/12/79/1134431279.db2.gz ZMBXJCBKABOYPU-UHFFFAOYSA-N 1 2 336.178 3.902 20 0 EHADLO CSc1cc(Nc2ccc(F)c(C(=O)N3CCCC3)c2)cc[nH+]1 ZINC001188442077 1134464563 /nfs/dbraw/zinc/46/45/63/1134464563.db2.gz XZFDYBCREHRFPP-UHFFFAOYSA-N 1 2 331.416 3.922 20 0 EHADLO CO[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000791334711 1134532706 /nfs/dbraw/zinc/53/27/06/1134532706.db2.gz VXBVMIWWIAYWQW-IBGZPJMESA-N 1 2 336.391 3.612 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791552471 1134572412 /nfs/dbraw/zinc/57/24/12/1134572412.db2.gz IDTHBJYMWKOWLA-SXGZJXTBSA-N 1 2 338.451 3.666 20 0 EHADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791552471 1134572417 /nfs/dbraw/zinc/57/24/17/1134572417.db2.gz IDTHBJYMWKOWLA-SXGZJXTBSA-N 1 2 338.451 3.666 20 0 EHADLO Nc1cc(COC(=O)c2cnc(-c3ccccc3Cl)s2)cc[nH+]1 ZINC000791795164 1134605561 /nfs/dbraw/zinc/60/55/61/1134605561.db2.gz QHQPXMSRLJFATB-UHFFFAOYSA-N 1 2 345.811 3.798 20 0 EHADLO Nc1cc(COC(=O)Cc2csc3ccc(Cl)cc23)cc[nH+]1 ZINC000792048282 1134649692 /nfs/dbraw/zinc/64/96/92/1134649692.db2.gz AOKVZHRCAADKHT-UHFFFAOYSA-N 1 2 332.812 3.818 20 0 EHADLO Cc1ccc2[nH]cc(CN(C)C(=O)c3ccccc3-n3cc[nH+]c3)c2c1 ZINC001190097387 1134655092 /nfs/dbraw/zinc/65/50/92/1134655092.db2.gz ITYGZDPBBINDIH-UHFFFAOYSA-N 1 2 344.418 3.934 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)Oc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000792158621 1134658624 /nfs/dbraw/zinc/65/86/24/1134658624.db2.gz IWZCBDRTEAFUAQ-AZUAARDMSA-N 1 2 339.435 3.789 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)Oc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000792158621 1134658628 /nfs/dbraw/zinc/65/86/28/1134658628.db2.gz IWZCBDRTEAFUAQ-AZUAARDMSA-N 1 2 339.435 3.789 20 0 EHADLO COCCSc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)o2)cc1 ZINC000775353287 1134661562 /nfs/dbraw/zinc/66/15/62/1134661562.db2.gz SZPRXBYUBHUFAO-ZDUSSCGKSA-N 1 2 349.500 3.956 20 0 EHADLO CC(C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000792207859 1134668109 /nfs/dbraw/zinc/66/81/09/1134668109.db2.gz AGPRQAAMNGOZNR-UHFFFAOYSA-N 1 2 329.469 3.582 20 0 EHADLO CC(C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000792207859 1134668112 /nfs/dbraw/zinc/66/81/12/1134668112.db2.gz AGPRQAAMNGOZNR-UHFFFAOYSA-N 1 2 329.469 3.582 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](CC)CCc1ccccn1 ZINC000792241901 1134670789 /nfs/dbraw/zinc/67/07/89/1134670789.db2.gz KPSXGQCHPGSUHO-SFHVURJKSA-N 1 2 346.858 3.904 20 0 EHADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](CC)CCc1ccccn1 ZINC000792241901 1134670793 /nfs/dbraw/zinc/67/07/93/1134670793.db2.gz KPSXGQCHPGSUHO-SFHVURJKSA-N 1 2 346.858 3.904 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC001190492668 1134713865 /nfs/dbraw/zinc/71/38/65/1134713865.db2.gz CUCRLNSLWZVAPW-OAHLLOKOSA-N 1 2 329.444 3.705 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC001190492668 1134713872 /nfs/dbraw/zinc/71/38/72/1134713872.db2.gz CUCRLNSLWZVAPW-OAHLLOKOSA-N 1 2 329.444 3.705 20 0 EHADLO CCC[N@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(F)cc1 ZINC001190604061 1134726532 /nfs/dbraw/zinc/72/65/32/1134726532.db2.gz BSCKLCWKFSVWJG-UHFFFAOYSA-N 1 2 341.492 3.785 20 0 EHADLO CCC[N@@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(F)cc1 ZINC001190604061 1134726542 /nfs/dbraw/zinc/72/65/42/1134726542.db2.gz BSCKLCWKFSVWJG-UHFFFAOYSA-N 1 2 341.492 3.785 20 0 EHADLO CCOC(=O)c1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)on1 ZINC001191031554 1134781685 /nfs/dbraw/zinc/78/16/85/1134781685.db2.gz XFASAIKLKXVGCX-GUYCJALGSA-N 1 2 346.452 3.530 20 0 EHADLO CCOC(=O)c1cc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)on1 ZINC001191031554 1134781692 /nfs/dbraw/zinc/78/16/92/1134781692.db2.gz XFASAIKLKXVGCX-GUYCJALGSA-N 1 2 346.452 3.530 20 0 EHADLO Cc1nc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nc2ccccc12 ZINC000792914709 1134824458 /nfs/dbraw/zinc/82/44/58/1134824458.db2.gz XMVYNTIMHCLQLL-ZBFHGGJFSA-N 1 2 336.266 3.954 20 0 EHADLO Cc1nc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nc2ccccc12 ZINC000792914709 1134824463 /nfs/dbraw/zinc/82/44/63/1134824463.db2.gz XMVYNTIMHCLQLL-ZBFHGGJFSA-N 1 2 336.266 3.954 20 0 EHADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399858 1134856207 /nfs/dbraw/zinc/85/62/07/1134856207.db2.gz MZSXOFPZCYAKDM-AAEUAGOBSA-N 1 2 346.254 3.788 20 0 EHADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001191399858 1134856212 /nfs/dbraw/zinc/85/62/12/1134856212.db2.gz MZSXOFPZCYAKDM-AAEUAGOBSA-N 1 2 346.254 3.788 20 0 EHADLO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473138 1134868688 /nfs/dbraw/zinc/86/86/88/1134868688.db2.gz CRCLMPLXRWJHLB-QAPCUYQASA-N 1 2 333.472 3.914 20 0 EHADLO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001191473138 1134868694 /nfs/dbraw/zinc/86/86/94/1134868694.db2.gz CRCLMPLXRWJHLB-QAPCUYQASA-N 1 2 333.472 3.914 20 0 EHADLO Cc1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)c(C)c[nH+]1 ZINC000747108376 1134874188 /nfs/dbraw/zinc/87/41/88/1134874188.db2.gz RNCHQACTWZOGPM-FPLPWBNLSA-N 1 2 336.313 3.671 20 0 EHADLO Cc1ccc(-c2ncc(C(=O)OCCc3c[nH+]cn3C)s2)c(C)c1 ZINC000793250569 1134889641 /nfs/dbraw/zinc/88/96/41/1134889641.db2.gz QCFDVBZCQSXOAY-UHFFFAOYSA-N 1 2 341.436 3.560 20 0 EHADLO Cc1ccc(C[NH+]2CCN(c3ccc(F)c(Cl)c3F)CC2)o1 ZINC001203289744 1134904740 /nfs/dbraw/zinc/90/47/40/1134904740.db2.gz OKKHZGKFQXNBDI-UHFFFAOYSA-N 1 2 326.774 3.842 20 0 EHADLO CCCOc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793367014 1134911878 /nfs/dbraw/zinc/91/18/78/1134911878.db2.gz VVRNKAKNLSQVLI-UHFFFAOYSA-N 1 2 334.847 3.518 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793367014 1134911887 /nfs/dbraw/zinc/91/18/87/1134911887.db2.gz VVRNKAKNLSQVLI-UHFFFAOYSA-N 1 2 334.847 3.518 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)n2)cc1 ZINC001192058345 1134963017 /nfs/dbraw/zinc/96/30/17/1134963017.db2.gz IUKMGKMYAHHHHH-UHFFFAOYSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1ccc(-c2cccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)n2)cc1 ZINC001192058345 1134963020 /nfs/dbraw/zinc/96/30/20/1134963020.db2.gz IUKMGKMYAHHHHH-UHFFFAOYSA-N 1 2 346.434 3.800 20 0 EHADLO Cc1[nH+]cc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1C ZINC001192291708 1134995564 /nfs/dbraw/zinc/99/55/64/1134995564.db2.gz YBDRQFNGRYTTNO-UHFFFAOYSA-N 1 2 330.722 3.627 20 0 EHADLO COc1ccccc1-c1cccc(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC001192301314 1135002633 /nfs/dbraw/zinc/00/26/33/1135002633.db2.gz MPNDWAYOYUNFRM-UHFFFAOYSA-N 1 2 344.374 3.657 20 0 EHADLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ncc(Cl)cc1Cl ZINC001192392379 1135014215 /nfs/dbraw/zinc/01/42/15/1135014215.db2.gz YHBVONXDHHRXGV-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ncc(Cl)cc1Cl ZINC001192392379 1135014222 /nfs/dbraw/zinc/01/42/22/1135014222.db2.gz YHBVONXDHHRXGV-LBPRGKRZSA-N 1 2 325.239 3.944 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C(F)(F)c1nccs1 ZINC000794214311 1135033397 /nfs/dbraw/zinc/03/33/97/1135033397.db2.gz SVKPVDMPQXRQDT-UHFFFAOYSA-N 1 2 334.351 3.572 20 0 EHADLO Cn1cc([C@@H]([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)C(C)(C)C)cn1 ZINC000775547188 1135054979 /nfs/dbraw/zinc/05/49/79/1135054979.db2.gz CKTIHQGPPAVPSS-OAHLLOKOSA-N 1 2 347.331 3.993 20 0 EHADLO CC(C)CN(C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001193001158 1135083472 /nfs/dbraw/zinc/08/34/72/1135083472.db2.gz DZYZLGXGZCEVIC-UHFFFAOYSA-N 1 2 326.843 3.558 20 0 EHADLO CC(C)CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001193001158 1135083478 /nfs/dbraw/zinc/08/34/78/1135083478.db2.gz DZYZLGXGZCEVIC-UHFFFAOYSA-N 1 2 326.843 3.558 20 0 EHADLO Cc1ccc(C(=O)CC[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000775566412 1135094199 /nfs/dbraw/zinc/09/41/99/1135094199.db2.gz WGFKAENAFHURFS-UHFFFAOYSA-N 1 2 344.842 3.792 20 0 EHADLO Cc1ccc(C(=O)CC[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000775566412 1135094206 /nfs/dbraw/zinc/09/42/06/1135094206.db2.gz WGFKAENAFHURFS-UHFFFAOYSA-N 1 2 344.842 3.792 20 0 EHADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000775564064 1135099047 /nfs/dbraw/zinc/09/90/47/1135099047.db2.gz ZMZHOEHZFXMTIO-JTQLQIEISA-N 1 2 332.835 3.936 20 0 EHADLO C[C@@](O)(C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116285 1135103696 /nfs/dbraw/zinc/10/36/96/1135103696.db2.gz ANKUVXVUZYXKSF-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@](O)(C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC001193116285 1135103702 /nfs/dbraw/zinc/10/37/02/1135103702.db2.gz ANKUVXVUZYXKSF-RBUKOAKNSA-N 1 2 349.833 3.760 20 0 EHADLO C[C@@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC001193142859 1135108360 /nfs/dbraw/zinc/10/83/60/1135108360.db2.gz LYTDUHCUZAZBOW-CQSZACIVSA-N 1 2 338.386 3.953 20 0 EHADLO Cc1ccc(Br)cc1CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129594896 1135117951 /nfs/dbraw/zinc/11/79/51/1135117951.db2.gz ZNGFRIGBGGPLLE-UHFFFAOYSA-N 1 2 344.212 3.586 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001193261867 1135118999 /nfs/dbraw/zinc/11/89/99/1135118999.db2.gz RYFRHLMQFAQWPE-HXUWFJFHSA-N 1 2 336.479 3.966 20 0 EHADLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001193261867 1135119002 /nfs/dbraw/zinc/11/90/02/1135119002.db2.gz RYFRHLMQFAQWPE-HXUWFJFHSA-N 1 2 336.479 3.966 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC001193288523 1135122613 /nfs/dbraw/zinc/12/26/13/1135122613.db2.gz NEZBVQYHPAKKTP-KRWDZBQOSA-N 1 2 346.833 3.916 20 0 EHADLO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC001193288523 1135122618 /nfs/dbraw/zinc/12/26/18/1135122618.db2.gz NEZBVQYHPAKKTP-KRWDZBQOSA-N 1 2 346.833 3.916 20 0 EHADLO Cc1nc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c2c([nH+]1)CCCC2 ZINC000804705209 1135180744 /nfs/dbraw/zinc/18/07/44/1135180744.db2.gz KXJCYJDZYVVXMC-DZGCQCFKSA-N 1 2 326.271 3.684 20 0 EHADLO O=C(c1cncc(-c2ccsc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001193989988 1135212177 /nfs/dbraw/zinc/21/21/77/1135212177.db2.gz NGRPBXRMHSEKND-ZDUSSCGKSA-N 1 2 338.436 3.553 20 0 EHADLO Cc1ccc(OC(=O)NCc2c[nH+]cn2Cc2cccc(F)c2)cc1 ZINC001194481150 1135276619 /nfs/dbraw/zinc/27/66/19/1135276619.db2.gz HAAAPDZXOMOMQA-UHFFFAOYSA-N 1 2 339.370 3.668 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001194599121 1135290709 /nfs/dbraw/zinc/29/07/09/1135290709.db2.gz KDLDBRSARYATBS-DNVCBOLYSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001194599121 1135290714 /nfs/dbraw/zinc/29/07/14/1135290714.db2.gz KDLDBRSARYATBS-DNVCBOLYSA-N 1 2 343.398 3.538 20 0 EHADLO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928241 1135311466 /nfs/dbraw/zinc/31/14/66/1135311466.db2.gz KGWDIJUZVUHDSS-FZKQIMNGSA-N 1 2 343.389 3.512 20 0 EHADLO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137928241 1135311473 /nfs/dbraw/zinc/31/14/73/1135311473.db2.gz KGWDIJUZVUHDSS-FZKQIMNGSA-N 1 2 343.389 3.512 20 0 EHADLO CCC(CC)COC(=O)NCc1c[nH+]cn1Cc1cccc(OC)c1 ZINC001194723644 1135312282 /nfs/dbraw/zinc/31/22/82/1135312282.db2.gz IAPJHDOTCBIQMD-UHFFFAOYSA-N 1 2 345.443 3.602 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2csc3cnccc23)c1 ZINC001194885988 1135335258 /nfs/dbraw/zinc/33/52/58/1135335258.db2.gz CWESQHNDBJYNKA-UHFFFAOYSA-N 1 2 334.404 3.949 20 0 EHADLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc3ccncc3c2)c1 ZINC001194909688 1135338615 /nfs/dbraw/zinc/33/86/15/1135338615.db2.gz PEVXGZLTLRDPFT-UHFFFAOYSA-N 1 2 328.375 3.888 20 0 EHADLO COc1cc2[nH]ccc2c(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001194907218 1135338987 /nfs/dbraw/zinc/33/89/87/1135338987.db2.gz LZZAJHIUSALGSF-UHFFFAOYSA-N 1 2 346.390 3.829 20 0 EHADLO Cc1ccc(CN(C)C(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1C ZINC001194910383 1135339324 /nfs/dbraw/zinc/33/93/24/1135339324.db2.gz VJCCYQDOVPGMTN-UHFFFAOYSA-N 1 2 333.435 3.976 20 0 EHADLO Cc1ccc(CNC(=O)c2cccc(-c3c[nH+]cn3C)c2)c(F)c1F ZINC001194917305 1135340481 /nfs/dbraw/zinc/34/04/81/1135340481.db2.gz KGXHGVRSJZAHMX-UHFFFAOYSA-N 1 2 341.361 3.604 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)C(C)C ZINC000775626984 1135350520 /nfs/dbraw/zinc/35/05/20/1135350520.db2.gz OVRSXTOYRGMIHL-LJQANCHMSA-N 1 2 335.455 3.517 20 0 EHADLO CCCCC[C@@H](CC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000775646635 1135400712 /nfs/dbraw/zinc/40/07/12/1135400712.db2.gz LRHXGWGIKVDFOK-GOSISDBHSA-N 1 2 346.515 3.742 20 0 EHADLO CC[C@H]1C[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](CC)O1 ZINC001195298638 1135408629 /nfs/dbraw/zinc/40/86/29/1135408629.db2.gz FZCKKTTXOLXFRB-HEHGZKQESA-N 1 2 332.271 3.916 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000806179592 1135411394 /nfs/dbraw/zinc/41/13/94/1135411394.db2.gz FOWCMYPYYFELQA-DYVFJYSZSA-N 1 2 335.398 3.778 20 0 EHADLO Cc1ccc2c(CC(=O)NCc3ccccc3-n3cc[nH+]c3)c[nH]c2c1 ZINC000101949442 1135425325 /nfs/dbraw/zinc/42/53/25/1135425325.db2.gz XRIVQOGBBOXSIS-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829902825 1135473146 /nfs/dbraw/zinc/47/31/46/1135473146.db2.gz RLIFAQCGNDJGSG-XHDPSFHLSA-N 1 2 343.302 3.896 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829902825 1135473148 /nfs/dbraw/zinc/47/31/48/1135473148.db2.gz RLIFAQCGNDJGSG-XHDPSFHLSA-N 1 2 343.302 3.896 20 0 EHADLO CC[C@H](C)n1nc(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C ZINC000775682433 1135504962 /nfs/dbraw/zinc/50/49/62/1135504962.db2.gz KKRMWPHIGLXWPO-LBPRGKRZSA-N 1 2 330.436 3.576 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCc3c2cccc3Cl)c1C ZINC000775684365 1135505600 /nfs/dbraw/zinc/50/56/00/1135505600.db2.gz GMUCWBAPDMINQT-HNNXBMFYSA-N 1 2 344.842 3.707 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccnc1F ZINC000807422797 1135544776 /nfs/dbraw/zinc/54/47/76/1135544776.db2.gz FUXPSNIHRBYXAO-UHFFFAOYSA-N 1 2 336.370 3.673 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807808223 1135572805 /nfs/dbraw/zinc/57/28/05/1135572805.db2.gz OYIWKNYGHSAJOC-ROUUACIJSA-N 1 2 349.434 3.652 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H](O)c1ccccc1 ZINC000807989848 1135599164 /nfs/dbraw/zinc/59/91/64/1135599164.db2.gz YIPGBQSRDGXWPC-IBGZPJMESA-N 1 2 347.418 3.559 20 0 EHADLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452808 1135610680 /nfs/dbraw/zinc/61/06/80/1135610680.db2.gz HECBFPJPUQESCN-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452808 1135610684 /nfs/dbraw/zinc/61/06/84/1135610684.db2.gz HECBFPJPUQESCN-UHFFFAOYSA-N 1 2 340.389 3.887 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808183332 1135627383 /nfs/dbraw/zinc/62/73/83/1135627383.db2.gz UOIHWABYFOTZBV-SFHVURJKSA-N 1 2 341.430 3.528 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808183332 1135627384 /nfs/dbraw/zinc/62/73/84/1135627384.db2.gz UOIHWABYFOTZBV-SFHVURJKSA-N 1 2 341.430 3.528 20 0 EHADLO Cc1ccc(NC(=O)c2cccc(Cl)c2O)c(OCC[NH+](C)C)c1 ZINC000775754390 1135635588 /nfs/dbraw/zinc/63/55/88/1135635588.db2.gz WKHMKMFWFBOMHW-UHFFFAOYSA-N 1 2 348.830 3.547 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000808254470 1135637854 /nfs/dbraw/zinc/63/78/54/1135637854.db2.gz IMUXPIDEUXAJIF-CYBMUJFWSA-N 1 2 340.814 3.544 20 0 EHADLO COc1ccc([C@H]2COCC[N@@H+]2C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC001197229312 1135661871 /nfs/dbraw/zinc/66/18/71/1135661871.db2.gz DTBSZMJBJZMPLJ-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@H]2COCC[N@H+]2C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC001197229312 1135661874 /nfs/dbraw/zinc/66/18/74/1135661874.db2.gz DTBSZMJBJZMPLJ-HUUCEWRRSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cc(Br)cc(C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000808435538 1135666719 /nfs/dbraw/zinc/66/67/19/1135666719.db2.gz OSTAJYIGMIKSGL-UHFFFAOYSA-N 1 2 342.187 3.775 20 0 EHADLO C[C@H](C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1)C1CCCCC1 ZINC001273749341 1135720922 /nfs/dbraw/zinc/72/09/22/1135720922.db2.gz COIVWUYIZILKGK-AWEZNQCLSA-N 1 2 346.437 3.832 20 0 EHADLO C[C@H](C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1)C1CCCCC1 ZINC001273749341 1135720925 /nfs/dbraw/zinc/72/09/25/1135720925.db2.gz COIVWUYIZILKGK-AWEZNQCLSA-N 1 2 346.437 3.832 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000747524800 1135721191 /nfs/dbraw/zinc/72/11/91/1135721191.db2.gz RHWMOCCCOOTDGT-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000747524800 1135721194 /nfs/dbraw/zinc/72/11/94/1135721194.db2.gz RHWMOCCCOOTDGT-QGZVFWFLSA-N 1 2 330.815 3.821 20 0 EHADLO Cc1cc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC001198130107 1135774324 /nfs/dbraw/zinc/77/43/24/1135774324.db2.gz DEIQUNIVKAORIL-QGZVFWFLSA-N 1 2 348.397 3.552 20 0 EHADLO Cc1cc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC001198130107 1135774327 /nfs/dbraw/zinc/77/43/27/1135774327.db2.gz DEIQUNIVKAORIL-QGZVFWFLSA-N 1 2 348.397 3.552 20 0 EHADLO Cc1sccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001131587343 1135793417 /nfs/dbraw/zinc/79/34/17/1135793417.db2.gz RWDPPPLIGLMGBL-INIZCTEOSA-N 1 2 325.437 3.504 20 0 EHADLO Cc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1ccccc1 ZINC001198454564 1135816500 /nfs/dbraw/zinc/81/65/00/1135816500.db2.gz JZRGEKKGMAZRSH-UHFFFAOYSA-N 1 2 336.464 3.726 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640870 1135841816 /nfs/dbraw/zinc/84/18/16/1135841816.db2.gz JEPQFPNQCHOTSY-ZIAGYGMSSA-N 1 2 332.435 3.753 20 0 EHADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198640870 1135841818 /nfs/dbraw/zinc/84/18/18/1135841818.db2.gz JEPQFPNQCHOTSY-ZIAGYGMSSA-N 1 2 332.435 3.753 20 0 EHADLO CCC[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C)cc1 ZINC000809540496 1135849052 /nfs/dbraw/zinc/84/90/52/1135849052.db2.gz VVXRVPKRQZPUBG-UHFFFAOYSA-N 1 2 332.469 3.909 20 0 EHADLO CCC[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C)cc1 ZINC000809540496 1135849056 /nfs/dbraw/zinc/84/90/56/1135849056.db2.gz VVXRVPKRQZPUBG-UHFFFAOYSA-N 1 2 332.469 3.909 20 0 EHADLO C[C@@H](O)c1ncc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000809600253 1135860482 /nfs/dbraw/zinc/86/04/82/1135860482.db2.gz RLKUYOOMDKQIDH-SNVBAGLBSA-N 1 2 334.832 3.648 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@]1(O)C(F)(F)F ZINC001137957696 1135861348 /nfs/dbraw/zinc/86/13/48/1135861348.db2.gz JAESJGPHCPEUSA-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@@]1(O)C(F)(F)F ZINC001137957696 1135861351 /nfs/dbraw/zinc/86/13/51/1135861351.db2.gz JAESJGPHCPEUSA-RNCFNFMXSA-N 1 2 325.733 3.614 20 0 EHADLO Clc1nc2cc(Cl)ccn2c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000809638658 1135864096 /nfs/dbraw/zinc/86/40/96/1135864096.db2.gz CNCUYBZTYHEEBH-UHFFFAOYSA-N 1 2 340.254 3.644 20 0 EHADLO Clc1nc2cc(Cl)ccn2c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000809638658 1135864100 /nfs/dbraw/zinc/86/41/00/1135864100.db2.gz CNCUYBZTYHEEBH-UHFFFAOYSA-N 1 2 340.254 3.644 20 0 EHADLO Cn1c2ccccc2c(Br)c1C[NH2+]Cc1nccs1 ZINC001199563715 1135911862 /nfs/dbraw/zinc/91/18/62/1135911862.db2.gz HPKWVICSAAUIIK-UHFFFAOYSA-N 1 2 336.258 3.687 20 0 EHADLO CCCn1c[nH+]cc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001199564622 1135912184 /nfs/dbraw/zinc/91/21/84/1135912184.db2.gz ZLPJFNGDTNPTHR-GJZGRUSLSA-N 1 2 346.450 3.658 20 0 EHADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)oc1C ZINC000810129206 1135925195 /nfs/dbraw/zinc/92/51/95/1135925195.db2.gz DKHUFPWWLFOPPY-AWEZNQCLSA-N 1 2 327.428 3.659 20 0 EHADLO S=C(NCC1CCCCC1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001199923503 1135938486 /nfs/dbraw/zinc/93/84/86/1135938486.db2.gz YIIMVPRSZYVIMY-UHFFFAOYSA-N 1 2 328.485 3.798 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccc(N2CCCCC2=O)cc1 ZINC000810262560 1135944545 /nfs/dbraw/zinc/94/45/45/1135944545.db2.gz SPQCRBYQHYOWMA-KBXCAEBGSA-N 1 2 338.455 3.655 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000776085229 1135951207 /nfs/dbraw/zinc/95/12/07/1135951207.db2.gz IIJLEBOVPRTIJN-DOMZBBRYSA-N 1 2 348.834 3.660 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1cncc(Br)c1 ZINC000794437064 1135958091 /nfs/dbraw/zinc/95/80/91/1135958091.db2.gz VZNRHMILZPWCPM-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1cncc(Br)c1 ZINC000794437064 1135958093 /nfs/dbraw/zinc/95/80/93/1135958093.db2.gz VZNRHMILZPWCPM-SNVBAGLBSA-N 1 2 340.652 3.876 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(F)CCCCC1 ZINC000810363729 1135959566 /nfs/dbraw/zinc/95/95/66/1135959566.db2.gz BGMBIQBKIYZZMJ-UHFFFAOYSA-N 1 2 333.451 3.751 20 0 EHADLO CC[C@@H]1CCC[C@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000810587199 1135978980 /nfs/dbraw/zinc/97/89/80/1135978980.db2.gz LOJOHCQASPPSKH-APWZRJJASA-N 1 2 326.440 3.986 20 0 EHADLO C[C@@H]1CC[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H](C)C1 ZINC000810590149 1135979375 /nfs/dbraw/zinc/97/93/75/1135979375.db2.gz FDYYUCLNKACHLT-GPMSIDNRSA-N 1 2 326.440 3.842 20 0 EHADLO CCCCS(=O)(=O)Nc1ccc(NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001201123706 1135991238 /nfs/dbraw/zinc/99/12/38/1135991238.db2.gz BKTLYEPCBKVELC-UHFFFAOYSA-N 1 2 347.484 3.852 20 0 EHADLO S=C(NCCOc1cc[nH+]cc1)Nc1ccc(Cl)c(Cl)c1 ZINC001201172020 1135991764 /nfs/dbraw/zinc/99/17/64/1135991764.db2.gz GKNIPVGIHWTNNP-UHFFFAOYSA-N 1 2 342.251 3.754 20 0 EHADLO CSc1ccc(NC(=S)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001201192763 1135994396 /nfs/dbraw/zinc/99/43/96/1135994396.db2.gz VEKMKUJNJVXXMC-UHFFFAOYSA-N 1 2 332.498 3.817 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000810692875 1135997786 /nfs/dbraw/zinc/99/77/86/1135997786.db2.gz RQRLHFMFAVVDKG-QWFCFKBJSA-N 1 2 338.451 3.986 20 0 EHADLO Cc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1C(=O)N(C)C ZINC001201219442 1135999348 /nfs/dbraw/zinc/99/93/48/1135999348.db2.gz HTLGNEPMKJXXIY-UHFFFAOYSA-N 1 2 340.452 3.556 20 0 EHADLO COc1ccc(C(=O)Nc2ccccc2)cc1Nc1ccc(N)[nH+]c1 ZINC001201286848 1136000781 /nfs/dbraw/zinc/00/07/81/1136000781.db2.gz DEIBHQOKENYLJS-UHFFFAOYSA-N 1 2 334.379 3.668 20 0 EHADLO COC(=O)c1ccc(Oc2ccccc2Nc2ccc(N)[nH+]c2)cc1 ZINC001201286960 1136001099 /nfs/dbraw/zinc/00/10/99/1136001099.db2.gz KMPIDTOGNLMPQM-UHFFFAOYSA-N 1 2 335.363 3.986 20 0 EHADLO Nc1ccc(Nc2c(N)cc(Br)cc2C(F)(F)F)c[nH+]1 ZINC001201285857 1136001166 /nfs/dbraw/zinc/00/11/66/1136001166.db2.gz RAPDJJKMCKIOJG-UHFFFAOYSA-N 1 2 347.138 3.771 20 0 EHADLO CC(C)(C)OC(=O)N1CCOc2ccc(Nc3ccc(N)[nH+]c3)cc21 ZINC001201292339 1136001425 /nfs/dbraw/zinc/00/14/25/1136001425.db2.gz VSPMINIETFRIMD-UHFFFAOYSA-N 1 2 342.399 3.541 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccccc3)nn2C2CCOCC2)c[nH+]1 ZINC001201279258 1136003451 /nfs/dbraw/zinc/00/34/51/1136003451.db2.gz NJIHFFATXVPACP-UHFFFAOYSA-N 1 2 335.411 3.622 20 0 EHADLO CC(C)[NH2+]c1ccc(Nc2cnc(-n3nccn3)c(Cl)c2)cc1 ZINC001201498438 1136028849 /nfs/dbraw/zinc/02/88/49/1136028849.db2.gz ZDZVAVHGOAYADT-UHFFFAOYSA-N 1 2 328.807 3.880 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccccc1Cl ZINC001201727771 1136055633 /nfs/dbraw/zinc/05/56/33/1136055633.db2.gz SYMAZASWDWZESF-HNNXBMFYSA-N 1 2 341.213 3.839 20 0 EHADLO Cc1csc(Nc2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)n1 ZINC000811320902 1136070697 /nfs/dbraw/zinc/07/06/97/1136070697.db2.gz YFJROUNSHWAKDK-UHFFFAOYSA-N 1 2 340.408 3.529 20 0 EHADLO C[C@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000811328439 1136074784 /nfs/dbraw/zinc/07/47/84/1136074784.db2.gz QGOWTGRHZPITGM-QGZVFWFLSA-N 1 2 334.419 3.821 20 0 EHADLO CN(CC(F)(F)F)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001202027660 1136082922 /nfs/dbraw/zinc/08/29/22/1136082922.db2.gz ADDZDILSOIQJBE-UHFFFAOYSA-N 1 2 334.385 3.954 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCc2cc(F)ccc21 ZINC001132815043 1136087924 /nfs/dbraw/zinc/08/79/24/1136087924.db2.gz GINVGPWTKUDBIG-WOJBJXKFSA-N 1 2 349.409 3.610 20 0 EHADLO CC(C)Oc1ccc[nH+]c1NCc1cc(Cl)c2c(c1)OCCO2 ZINC001202032170 1136089439 /nfs/dbraw/zinc/08/94/39/1136089439.db2.gz XQRXFJUOUNNGIY-UHFFFAOYSA-N 1 2 334.803 3.906 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC000811462970 1136090191 /nfs/dbraw/zinc/09/01/91/1136090191.db2.gz GGODLUBTMIYERL-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO COC(=O)c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC000811462970 1136090194 /nfs/dbraw/zinc/09/01/94/1136090194.db2.gz GGODLUBTMIYERL-UHFFFAOYSA-N 1 2 333.790 3.824 20 0 EHADLO CCOc1ccccc1NC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001202145343 1136099591 /nfs/dbraw/zinc/09/95/91/1136099591.db2.gz RXSAYHVLZWMPCX-UHFFFAOYSA-N 1 2 336.395 3.974 20 0 EHADLO Cc1ccccc1NC(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001202194095 1136109096 /nfs/dbraw/zinc/10/90/96/1136109096.db2.gz ATBQNKDJHONJAS-UHFFFAOYSA-N 1 2 338.386 3.701 20 0 EHADLO Brc1ccc2ccc(NCCNc3cccc[nH+]3)nc2c1 ZINC000811710361 1136123497 /nfs/dbraw/zinc/12/34/97/1136123497.db2.gz DSKTYSAGOOMDNE-UHFFFAOYSA-N 1 2 343.228 3.916 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1cccc(F)c1)Nc1ccc(F)cc1 ZINC001202365526 1136134078 /nfs/dbraw/zinc/13/40/78/1136134078.db2.gz DFTKXKGHCUQOHA-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=S)N=NC2CCC2CCCC2)CCC1(F)F ZINC000811781275 1136134683 /nfs/dbraw/zinc/13/46/83/1136134683.db2.gz XBNKXWFCKHIGQN-GFCCVEGCSA-N 1 2 344.475 3.624 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)CCC1(F)F ZINC000811781275 1136134687 /nfs/dbraw/zinc/13/46/87/1136134687.db2.gz XBNKXWFCKHIGQN-GFCCVEGCSA-N 1 2 344.475 3.624 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3ccc(C(F)(F)F)cc3)c[nH+]c12 ZINC001202413924 1136138401 /nfs/dbraw/zinc/13/84/01/1136138401.db2.gz WUJAIIDVUIOARG-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO CC[C@@](C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000107640360 1136175351 /nfs/dbraw/zinc/17/53/51/1136175351.db2.gz QEVJNSRMFALWIK-OAQYLSRUSA-N 1 2 333.435 3.987 20 0 EHADLO CC[N@H+](Cn1ccn(-c2ccc(C)cc2C)c1=S)[C@@H]1CCOC1 ZINC000812296078 1136196156 /nfs/dbraw/zinc/19/61/56/1136196156.db2.gz MVAVRBCUMQDDHQ-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO CC[N@@H+](Cn1ccn(-c2ccc(C)cc2C)c1=S)[C@@H]1CCOC1 ZINC000812296078 1136196158 /nfs/dbraw/zinc/19/61/58/1136196158.db2.gz MVAVRBCUMQDDHQ-MRXNPFEDSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC001133453432 1136251959 /nfs/dbraw/zinc/25/19/59/1136251959.db2.gz UDBMDYIKRRPFGC-OAHLLOKOSA-N 1 2 326.440 3.824 20 0 EHADLO OC[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(F)cc1F ZINC000850409934 1136252248 /nfs/dbraw/zinc/25/22/48/1136252248.db2.gz DEFZLLKTOAOPGE-AWEZNQCLSA-N 1 2 349.349 3.837 20 0 EHADLO Cc1ccc(Oc2ccc(C(=O)Nc3c(C)c[nH+]cc3C)cc2)nc1 ZINC001133455376 1136253936 /nfs/dbraw/zinc/25/39/36/1136253936.db2.gz IOAXWDPEWZKBLV-UHFFFAOYSA-N 1 2 333.391 3.868 20 0 EHADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852090 1136262297 /nfs/dbraw/zinc/26/22/97/1136262297.db2.gz VVWWZVWVIVDDJN-CXAGYDPISA-N 1 2 343.452 3.742 20 0 EHADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852090 1136262298 /nfs/dbraw/zinc/26/22/98/1136262298.db2.gz VVWWZVWVIVDDJN-CXAGYDPISA-N 1 2 343.452 3.742 20 0 EHADLO C[C@@H]1CC[C@](C)(/C=C/C(=O)NCc2nc(C[NH+](C)C)cs2)C1(C)C ZINC001133651282 1136303114 /nfs/dbraw/zinc/30/31/14/1136303114.db2.gz ALHJFFXRNAWELH-YFZXRXBPSA-N 1 2 349.544 3.840 20 0 EHADLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001133686145 1136313285 /nfs/dbraw/zinc/31/32/85/1136313285.db2.gz UKDVXINHSLBRNX-UHFFFAOYSA-N 1 2 325.799 3.817 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000850970267 1136323647 /nfs/dbraw/zinc/32/36/47/1136323647.db2.gz VNMTYKOMOOFGHV-ZWKOTPCHSA-N 1 2 326.440 3.555 20 0 EHADLO Cc1noc(C2CCC([NH2+]c3ccc4c(c3)CCCN4C)CC2)n1 ZINC000813868351 1136369211 /nfs/dbraw/zinc/36/92/11/1136369211.db2.gz TZSAOIZMULYOPE-UHFFFAOYSA-N 1 2 326.444 3.899 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc2ccsc2[nH]1 ZINC000851398264 1136376048 /nfs/dbraw/zinc/37/60/48/1136376048.db2.gz RODXJTDQFORVAS-UHFFFAOYSA-N 1 2 341.436 3.698 20 0 EHADLO O=C(OC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCC(=O)c2ccccc21 ZINC000851469761 1136382589 /nfs/dbraw/zinc/38/25/89/1136382589.db2.gz WNDBATLEKHTHME-XLIONFOSSA-N 1 2 349.430 3.564 20 0 EHADLO O=C(OC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCC(=O)c2ccccc21 ZINC000851469761 1136382593 /nfs/dbraw/zinc/38/25/93/1136382593.db2.gz WNDBATLEKHTHME-XLIONFOSSA-N 1 2 349.430 3.564 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)NCCc3[nH+]ccn3C)c(F)c2)cc1 ZINC000106755776 1136390511 /nfs/dbraw/zinc/39/05/11/1136390511.db2.gz HGVWQIYHWHPLHI-UHFFFAOYSA-N 1 2 337.398 3.507 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000814110811 1136405361 /nfs/dbraw/zinc/40/53/61/1136405361.db2.gz GAOZHDBOSOFSGR-HTWSVDAQSA-N 1 2 343.446 3.747 20 0 EHADLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)co1 ZINC000851809273 1136409763 /nfs/dbraw/zinc/40/97/63/1136409763.db2.gz UZPGROAIFZCLCD-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)co1 ZINC000851809273 1136409765 /nfs/dbraw/zinc/40/97/65/1136409765.db2.gz UZPGROAIFZCLCD-GOSISDBHSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1ccc(C(=O)NC2CC[NH+](CC=C(Cl)Cl)CC2)s1 ZINC000851833100 1136412188 /nfs/dbraw/zinc/41/21/88/1136412188.db2.gz FYHDBSSTBCHFLY-UHFFFAOYSA-N 1 2 333.284 3.570 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)CSc2ccccc2)c1C ZINC000110261214 1136414932 /nfs/dbraw/zinc/41/49/32/1136414932.db2.gz SXIMQCQRDSGAGN-CQSZACIVSA-N 1 2 344.480 3.752 20 0 EHADLO CCc1oc(C[NH2+]Cc2cc(C(CC)CC)no2)cc1C(=O)OC ZINC000338942098 1136438363 /nfs/dbraw/zinc/43/83/63/1136438363.db2.gz IACAHMNUGFNCRK-UHFFFAOYSA-N 1 2 334.416 3.810 20 0 EHADLO C[C@]1(C2CC2)C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322225 1136448184 /nfs/dbraw/zinc/44/81/84/1136448184.db2.gz DSECJMVRKJDATK-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@]1(C2CC2)C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000852322225 1136448188 /nfs/dbraw/zinc/44/81/88/1136448188.db2.gz DSECJMVRKJDATK-JKSUJKDBSA-N 1 2 330.255 3.528 20 0 EHADLO C[C@@H](c1cccnc1)[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334147 1136450186 /nfs/dbraw/zinc/45/01/86/1136450186.db2.gz GQYSDZUHGAFJKP-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO C[C@@H](c1cccnc1)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334147 1136450188 /nfs/dbraw/zinc/45/01/88/1136450188.db2.gz GQYSDZUHGAFJKP-NSHDSACASA-N 1 2 335.329 3.659 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000852342253 1136450764 /nfs/dbraw/zinc/45/07/64/1136450764.db2.gz LFMMYWPBWLWJBV-UHFFFAOYSA-N 1 2 340.471 3.510 20 0 EHADLO CN(C)c1cc(COC(=O)Cc2c[nH]c3cccc(Cl)c23)cc[nH+]1 ZINC000814527590 1136470470 /nfs/dbraw/zinc/47/04/70/1136470470.db2.gz DKFVHPBJXWUKOH-UHFFFAOYSA-N 1 2 343.814 3.568 20 0 EHADLO Cc1ccc(N2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@H](C)C2)cc1C ZINC000747967558 1136488468 /nfs/dbraw/zinc/48/84/68/1136488468.db2.gz GACBKUGWGQVINI-GOSISDBHSA-N 1 2 326.488 3.792 20 0 EHADLO Cc1ccc(N2CC[N@H+](Cc3ccn(C(C)C)n3)[C@H](C)C2)cc1C ZINC000747967558 1136488470 /nfs/dbraw/zinc/48/84/70/1136488470.db2.gz GACBKUGWGQVINI-GOSISDBHSA-N 1 2 326.488 3.792 20 0 EHADLO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000853124279 1136512152 /nfs/dbraw/zinc/51/21/52/1136512152.db2.gz DQYAMAUKIHZCJF-GFCCVEGCSA-N 1 2 336.220 3.754 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(OC)ccc23)cs1 ZINC000111375412 1136539579 /nfs/dbraw/zinc/53/95/79/1136539579.db2.gz JVLQZZXOQZAVLA-LLVKDONJSA-N 1 2 344.436 3.671 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000853513018 1136539824 /nfs/dbraw/zinc/53/98/24/1136539824.db2.gz SJPALENBUDDOHY-FQEVSTJZSA-N 1 2 339.483 3.557 20 0 EHADLO O=C1[C@H](C2CCCCC2)CCN1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000853513018 1136539827 /nfs/dbraw/zinc/53/98/27/1136539827.db2.gz SJPALENBUDDOHY-FQEVSTJZSA-N 1 2 339.483 3.557 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccnc(Br)c1)C2 ZINC000815037590 1136543014 /nfs/dbraw/zinc/54/30/14/1136543014.db2.gz PSVMTBLOSRJARC-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ccnc(Br)c1)C2 ZINC000815037590 1136543019 /nfs/dbraw/zinc/54/30/19/1136543019.db2.gz PSVMTBLOSRJARC-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853555223 1136543767 /nfs/dbraw/zinc/54/37/67/1136543767.db2.gz USHCLBPEFCNJTM-LJQANCHMSA-N 1 2 337.467 3.770 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853555223 1136543770 /nfs/dbraw/zinc/54/37/70/1136543770.db2.gz USHCLBPEFCNJTM-LJQANCHMSA-N 1 2 337.467 3.770 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1F ZINC000853563370 1136544498 /nfs/dbraw/zinc/54/44/98/1136544498.db2.gz SZLAFPYIVJBXIT-AEFFLSMTSA-N 1 2 346.446 3.576 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1F ZINC000853563370 1136544500 /nfs/dbraw/zinc/54/45/00/1136544500.db2.gz SZLAFPYIVJBXIT-AEFFLSMTSA-N 1 2 346.446 3.576 20 0 EHADLO Cc1cc(Cl)nc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000853573748 1136545538 /nfs/dbraw/zinc/54/55/38/1136545538.db2.gz ZPUBALIVIXLINF-UHFFFAOYSA-N 1 2 341.640 3.825 20 0 EHADLO Cc1cc(C)cc(-n2ncc(C[NH2+]Cc3coc4ccccc34)n2)c1 ZINC000815141842 1136561510 /nfs/dbraw/zinc/56/15/10/1136561510.db2.gz JFDDMJGDJRZPBR-UHFFFAOYSA-N 1 2 332.407 3.920 20 0 EHADLO Cc1[nH+]cc(CN2CCOc3cccc(F)c3C2)n1-c1ccccc1 ZINC000338967780 1136674186 /nfs/dbraw/zinc/67/41/86/1136674186.db2.gz UZZYZVUYUISPOU-UHFFFAOYSA-N 1 2 337.398 3.714 20 0 EHADLO CCN(C(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000776804634 1136686305 /nfs/dbraw/zinc/68/63/05/1136686305.db2.gz JMPPJWVTVHAIHB-UHFFFAOYSA-N 1 2 344.212 3.764 20 0 EHADLO O[C@](C[NH2+]Cc1csc(C2CC2)n1)(c1ccccc1)C(F)(F)F ZINC000113334797 1136697421 /nfs/dbraw/zinc/69/74/21/1136697421.db2.gz SLBLIIPKDYGUAG-OAHLLOKOSA-N 1 2 342.386 3.560 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ns1 ZINC000816396683 1136709808 /nfs/dbraw/zinc/70/98/08/1136709808.db2.gz SAEBRBVLGNYGRA-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ns1 ZINC000816396683 1136709812 /nfs/dbraw/zinc/70/98/12/1136709812.db2.gz SAEBRBVLGNYGRA-ZDUSSCGKSA-N 1 2 344.484 3.510 20 0 EHADLO COc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(C(F)(F)F)c1 ZINC000776823882 1136714069 /nfs/dbraw/zinc/71/40/69/1136714069.db2.gz HRGDIWRJGMWZKO-UHFFFAOYSA-N 1 2 335.285 3.614 20 0 EHADLO COc1ccc(/C=C(/C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1F ZINC000816481521 1136723370 /nfs/dbraw/zinc/72/33/70/1136723370.db2.gz ZGISEYSXNVXVPC-XFXZXTDPSA-N 1 2 325.343 3.524 20 0 EHADLO C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)cc1 ZINC001135603004 1136725398 /nfs/dbraw/zinc/72/53/98/1136725398.db2.gz PGCBNSPBIHUIKP-AWEZNQCLSA-N 1 2 348.899 3.849 20 0 EHADLO O=C([C@H]1CCCC[C@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135602772 1136725627 /nfs/dbraw/zinc/72/56/27/1136725627.db2.gz FVZHODDGCWLJFA-ROUUACIJSA-N 1 2 332.513 3.609 20 0 EHADLO CC(C)CC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000828616083 1136774878 /nfs/dbraw/zinc/77/48/78/1136774878.db2.gz VPDBGVSEJLZBSJ-MRXNPFEDSA-N 1 2 339.277 3.986 20 0 EHADLO CC(C)CC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000828616083 1136774882 /nfs/dbraw/zinc/77/48/82/1136774882.db2.gz VPDBGVSEJLZBSJ-MRXNPFEDSA-N 1 2 339.277 3.986 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC001137655321 1136800372 /nfs/dbraw/zinc/80/03/72/1136800372.db2.gz HMWMIQZDHLSALO-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC001137655321 1136800377 /nfs/dbraw/zinc/80/03/77/1136800377.db2.gz HMWMIQZDHLSALO-WFASDCNBSA-N 1 2 340.826 3.530 20 0 EHADLO CCOc1ccccc1C(F)(F)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459015 1136808460 /nfs/dbraw/zinc/80/84/60/1136808460.db2.gz OUXDJOQBJNKBLM-UHFFFAOYSA-N 1 2 334.366 3.505 20 0 EHADLO COC(=O)c1cc(CNc2ccc([NH+](C)C)c(C)c2)n2c1CCCC2 ZINC000856774259 1136809924 /nfs/dbraw/zinc/80/99/24/1136809924.db2.gz SAAURICHLYXIAL-UHFFFAOYSA-N 1 2 341.455 3.598 20 0 EHADLO Cn1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(Cl)n1 ZINC000856782559 1136811152 /nfs/dbraw/zinc/81/11/52/1136811152.db2.gz XKWCJBJDNCIJMH-UHFFFAOYSA-N 1 2 341.846 3.885 20 0 EHADLO Fc1cccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)n1 ZINC000817580008 1136823748 /nfs/dbraw/zinc/82/37/48/1136823748.db2.gz GHWXVAPHDAYUNO-LBPRGKRZSA-N 1 2 342.237 3.681 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(CF)cc1 ZINC000857258409 1136858082 /nfs/dbraw/zinc/85/80/82/1136858082.db2.gz UWUQXOVRJFUZNB-QAQDUYKDSA-N 1 2 327.403 3.704 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000818195015 1136864651 /nfs/dbraw/zinc/86/46/51/1136864651.db2.gz VBIBOQMRKBMNDK-UHFFFAOYSA-N 1 2 336.432 3.741 20 0 EHADLO CCCCc1oc2ccccc2c1C[NH2+]Cc1nn(CC)nc1C ZINC000818220983 1136867166 /nfs/dbraw/zinc/86/71/66/1136867166.db2.gz LMRFNTYMGRWZSZ-UHFFFAOYSA-N 1 2 326.444 3.985 20 0 EHADLO CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000818337652 1136872170 /nfs/dbraw/zinc/87/21/70/1136872170.db2.gz NFWDJHJIWXKFGH-TXQCNQHSSA-N 1 2 344.499 3.916 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)n1 ZINC000818343405 1136873108 /nfs/dbraw/zinc/87/31/08/1136873108.db2.gz AZZDBPSHIJHMCR-AWEZNQCLSA-N 1 2 336.892 3.977 20 0 EHADLO CCCC[C@](C)(F)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000857588794 1136887058 /nfs/dbraw/zinc/88/70/58/1136887058.db2.gz QJAGBIVWRKMBDM-IBGZPJMESA-N 1 2 336.451 3.684 20 0 EHADLO CCCCCC[C@H](O)CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001136185895 1136911168 /nfs/dbraw/zinc/91/11/68/1136911168.db2.gz UAVSYJIZKSUOMF-INIZCTEOSA-N 1 2 329.444 3.922 20 0 EHADLO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1=O ZINC000857874434 1136916973 /nfs/dbraw/zinc/91/69/73/1136916973.db2.gz RFEFOPRKMKMZFJ-DLBZAZTESA-N 1 2 342.439 3.666 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(Cc2cccs2)CCCCC1 ZINC000857978134 1136926770 /nfs/dbraw/zinc/92/67/70/1136926770.db2.gz KRULALJYAXYAPO-OAHLLOKOSA-N 1 2 329.469 3.699 20 0 EHADLO CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857980794 1136926864 /nfs/dbraw/zinc/92/68/64/1136926864.db2.gz PWSDBODYSSDDPP-SFHVURJKSA-N 1 2 325.456 3.666 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(Cl)cc1 ZINC000857975548 1136927001 /nfs/dbraw/zinc/92/70/01/1136927001.db2.gz PAYKZQBPQHJMNI-HOTGVXAUSA-N 1 2 331.847 3.927 20 0 EHADLO C[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(C(F)(F)F)cc1 ZINC000857983458 1136927448 /nfs/dbraw/zinc/92/74/48/1136927448.db2.gz ACJOZBLURODABN-FZMZJTMJSA-N 1 2 337.345 3.657 20 0 EHADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1C1CCCCC1 ZINC000857983536 1136927573 /nfs/dbraw/zinc/92/75/73/1136927573.db2.gz BIBSDKGBEICRDE-QGZVFWFLSA-N 1 2 326.444 3.681 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(c2cccc(Cl)c2)CCCCC1 ZINC000857990144 1136927773 /nfs/dbraw/zinc/92/77/73/1136927773.db2.gz RZJVKCYNDGUYTD-INIZCTEOSA-N 1 2 343.858 4.000 20 0 EHADLO CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@@H]3CCn4c[nH+]cc43)cc2C1 ZINC000857990380 1136927842 /nfs/dbraw/zinc/92/78/42/1136927842.db2.gz OOKBPWINNOZSJN-UONOGXRCSA-N 1 2 343.496 3.970 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@H](C)c1ccc(F)cc1F)CCN2 ZINC000857999499 1136928069 /nfs/dbraw/zinc/92/80/69/1136928069.db2.gz FWHQOYSQUXQXKB-LBPRGKRZSA-N 1 2 331.366 3.621 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)CC1CCC(C(F)(F)F)CC1)CCN2 ZINC000857999354 1136928295 /nfs/dbraw/zinc/92/82/95/1136928295.db2.gz ZAFHMWVDLYSTRZ-UHFFFAOYSA-N 1 2 341.377 3.907 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(F)=C1CCC1 ZINC000819334007 1136932430 /nfs/dbraw/zinc/93/24/30/1136932430.db2.gz BASFJSSJWXBRRJ-UHFFFAOYSA-N 1 2 331.435 3.554 20 0 EHADLO C[C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000819315986 1136934548 /nfs/dbraw/zinc/93/45/48/1136934548.db2.gz CDSXVJKDMOMQHV-OXJNMPFZSA-N 1 2 343.515 3.664 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2cccc3c2OCCO3)c1Cl ZINC000858136183 1136942720 /nfs/dbraw/zinc/94/27/20/1136942720.db2.gz MVULJEKEGQTHFR-UHFFFAOYSA-N 1 2 325.742 3.679 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C[C@H](C)c2ccccc2C)c1C ZINC000116008886 1136957027 /nfs/dbraw/zinc/95/70/27/1136957027.db2.gz JHPFOXPKMPMZHV-AWEZNQCLSA-N 1 2 326.440 3.825 20 0 EHADLO Cc1cccc([C@H](CNc2nc(Cl)cs2)[NH+]2CCOCC2)c1 ZINC000858349467 1136960162 /nfs/dbraw/zinc/96/01/62/1136960162.db2.gz XZGIFPFBDZCJFH-AWEZNQCLSA-N 1 2 337.876 3.590 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858358390 1136961376 /nfs/dbraw/zinc/96/13/76/1136961376.db2.gz JXNLKICZRPXHJF-OAHLLOKOSA-N 1 2 327.428 3.728 20 0 EHADLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1[nH+]ccc2ccccc21 ZINC000858454828 1136969518 /nfs/dbraw/zinc/96/95/18/1136969518.db2.gz FYWFOHXXTPLRHK-GJZGRUSLSA-N 1 2 341.455 3.974 20 0 EHADLO Clc1csc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000858467582 1136970115 /nfs/dbraw/zinc/97/01/15/1136970115.db2.gz YZUXMYHKLOLGCX-UHFFFAOYSA-N 1 2 344.871 3.798 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccns2)nnn1-c1ccc(C)cc1 ZINC000858576969 1136979960 /nfs/dbraw/zinc/97/99/60/1136979960.db2.gz HYMVPXSBLHYSCX-CHWSQXEVSA-N 1 2 327.457 3.752 20 0 EHADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc(Cl)n1 ZINC000858595046 1136981686 /nfs/dbraw/zinc/98/16/86/1136981686.db2.gz WIFOPPCSFGJAJJ-UHFFFAOYSA-N 1 2 330.823 3.550 20 0 EHADLO CCC[C@H](CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000820289313 1136987286 /nfs/dbraw/zinc/98/72/86/1136987286.db2.gz NSPBPPZOWFZIDP-INIZCTEOSA-N 1 2 331.504 3.664 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000858728388 1136989107 /nfs/dbraw/zinc/98/91/07/1136989107.db2.gz XYABTQRPVVWKQE-INIZCTEOSA-N 1 2 342.418 3.657 20 0 EHADLO CCOc1cccc(/C=C/C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000858728065 1136989303 /nfs/dbraw/zinc/98/93/03/1136989303.db2.gz UQOIDBZSUQZGGY-BBVFFXRHSA-N 1 2 341.455 3.526 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N(C1CC1)C1CCCCC1 ZINC001136354982 1136997142 /nfs/dbraw/zinc/99/71/42/1136997142.db2.gz GKQZGEFBTJBNFR-UHFFFAOYSA-N 1 2 337.467 3.798 20 0 EHADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000859131795 1137004329 /nfs/dbraw/zinc/00/43/29/1137004329.db2.gz MNTZYPAURPCIDG-UHFFFAOYSA-N 1 2 339.867 3.566 20 0 EHADLO O[C@H](C[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201986 1137007392 /nfs/dbraw/zinc/00/73/92/1137007392.db2.gz QEPBFFVRQIHKRW-IAGOWNOFSA-N 1 2 345.418 3.564 20 0 EHADLO O[C@H](C[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201986 1137007394 /nfs/dbraw/zinc/00/73/94/1137007394.db2.gz QEPBFFVRQIHKRW-IAGOWNOFSA-N 1 2 345.418 3.564 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccncc1Br ZINC000859210005 1137008023 /nfs/dbraw/zinc/00/80/23/1137008023.db2.gz CPRUDBCBRAATRU-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccncc1Br ZINC000859210005 1137008025 /nfs/dbraw/zinc/00/80/25/1137008025.db2.gz CPRUDBCBRAATRU-JTQLQIEISA-N 1 2 340.652 3.876 20 0 EHADLO CSc1ccc(/C=C/C(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000859221718 1137008546 /nfs/dbraw/zinc/00/85/46/1137008546.db2.gz NVVVNXWZKAGCPD-VQHVLOKHSA-N 1 2 347.509 3.887 20 0 EHADLO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@@H](c2ccccc2)C(F)F)C1 ZINC000859314547 1137011443 /nfs/dbraw/zinc/01/14/43/1137011443.db2.gz WBTPWGKADHIXMU-HNNXBMFYSA-N 1 2 340.414 3.839 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000859360621 1137012733 /nfs/dbraw/zinc/01/27/33/1137012733.db2.gz FQTIPMKWVFBYNF-SJORKVTESA-N 1 2 349.862 3.838 20 0 EHADLO CSCCCCCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000859798294 1137030913 /nfs/dbraw/zinc/03/09/13/1137030913.db2.gz FGXFRUMVARXNJO-UHFFFAOYSA-N 1 2 333.501 3.615 20 0 EHADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)cc1 ZINC001136469282 1137032017 /nfs/dbraw/zinc/03/20/17/1137032017.db2.gz WREBPWVBYSMEHP-MRXNPFEDSA-N 1 2 347.418 3.901 20 0 EHADLO COc1cccc2c1C[N@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000859939356 1137037914 /nfs/dbraw/zinc/03/79/14/1137037914.db2.gz XDRYEIVBGFEBSA-SFHVURJKSA-N 1 2 349.430 3.604 20 0 EHADLO COc1cccc2c1C[N@@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000859939356 1137037915 /nfs/dbraw/zinc/03/79/15/1137037915.db2.gz XDRYEIVBGFEBSA-SFHVURJKSA-N 1 2 349.430 3.604 20 0 EHADLO CSc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000859946154 1137038008 /nfs/dbraw/zinc/03/80/08/1137038008.db2.gz WJCHECQMJCDAFS-DUXPYHPUSA-N 1 2 333.482 3.613 20 0 EHADLO CSc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000859946154 1137038010 /nfs/dbraw/zinc/03/80/10/1137038010.db2.gz WJCHECQMJCDAFS-DUXPYHPUSA-N 1 2 333.482 3.613 20 0 EHADLO Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000860043354 1137041634 /nfs/dbraw/zinc/04/16/34/1137041634.db2.gz UKIKUXRRNIHMTQ-DYVFJYSZSA-N 1 2 340.402 3.535 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000860115151 1137045173 /nfs/dbraw/zinc/04/51/73/1137045173.db2.gz VDXSRIKZPHWANI-CZUORRHYSA-N 1 2 333.863 3.598 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000860115151 1137045175 /nfs/dbraw/zinc/04/51/75/1137045175.db2.gz VDXSRIKZPHWANI-CZUORRHYSA-N 1 2 333.863 3.598 20 0 EHADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc2scnc2c1 ZINC001136532648 1137047562 /nfs/dbraw/zinc/04/75/62/1137047562.db2.gz ULXCRLPEPOEMQY-GFCCVEGCSA-N 1 2 340.330 3.625 20 0 EHADLO COc1cccc([C@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692046 1137070655 /nfs/dbraw/zinc/07/06/55/1137070655.db2.gz TXPGGPRAQQMCMX-DZGCQCFKSA-N 1 2 330.255 3.652 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)CCO2)c1 ZINC000822692046 1137070656 /nfs/dbraw/zinc/07/06/56/1137070656.db2.gz TXPGGPRAQQMCMX-DZGCQCFKSA-N 1 2 330.255 3.652 20 0 EHADLO Cc1cc(NC(=O)C(C)(C)c2nccs2)ccc1-n1cc[nH+]c1 ZINC001136625349 1137073001 /nfs/dbraw/zinc/07/30/01/1137073001.db2.gz HGGAQYYYJWZTQR-UHFFFAOYSA-N 1 2 326.425 3.554 20 0 EHADLO Cc1cc(NC(=O)C2CCC(C(C)(C)O)CC2)ccc1-n1cc[nH+]c1 ZINC001136625101 1137073120 /nfs/dbraw/zinc/07/31/20/1137073120.db2.gz XOCXMYHJTFBXKR-UHFFFAOYSA-N 1 2 341.455 3.697 20 0 EHADLO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000822820403 1137075629 /nfs/dbraw/zinc/07/56/29/1137075629.db2.gz HBNHGWXPTHGWAD-UHFFFAOYSA-N 1 2 326.227 3.696 20 0 EHADLO O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000822913906 1137079120 /nfs/dbraw/zinc/07/91/20/1137079120.db2.gz HHVUXJZRTLSYML-SNVBAGLBSA-N 1 2 342.201 3.924 20 0 EHADLO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC001137661847 1137086911 /nfs/dbraw/zinc/08/69/11/1137086911.db2.gz CLLXQNCDXJJYIM-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC001137661847 1137086912 /nfs/dbraw/zinc/08/69/12/1137086912.db2.gz CLLXQNCDXJJYIM-OAHLLOKOSA-N 1 2 335.810 3.621 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171013216 1137093746 /nfs/dbraw/zinc/09/37/46/1137093746.db2.gz NDPQYXACLVTBTF-VQIMIIECSA-N 1 2 343.854 3.571 20 0 EHADLO CC(C)C[C@@H](C(=O)NCC[C@@]1(C)CC1(Cl)Cl)n1cc[nH+]c1 ZINC000823386323 1137097226 /nfs/dbraw/zinc/09/72/26/1137097226.db2.gz SHARQQUBJHRWKA-JSGCOSHPSA-N 1 2 332.275 3.561 20 0 EHADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000823424860 1137101057 /nfs/dbraw/zinc/10/10/57/1137101057.db2.gz ZPVCCLLVSQGDIK-CQSZACIVSA-N 1 2 343.421 3.775 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000823477089 1137101652 /nfs/dbraw/zinc/10/16/52/1137101652.db2.gz JPCCEVFHMIJLRE-OAHLLOKOSA-N 1 2 348.878 3.551 20 0 EHADLO CCn1nc(C)c(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000823477089 1137101654 /nfs/dbraw/zinc/10/16/54/1137101654.db2.gz JPCCEVFHMIJLRE-OAHLLOKOSA-N 1 2 348.878 3.551 20 0 EHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)n1 ZINC000173429947 1137109192 /nfs/dbraw/zinc/10/91/92/1137109192.db2.gz ZWFIQUZXSAINMN-UHFFFAOYSA-N 1 2 337.514 3.902 20 0 EHADLO CC1(OCC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCC1 ZINC000823770277 1137113412 /nfs/dbraw/zinc/11/34/12/1137113412.db2.gz PIEKFGSLTAWTRQ-UHFFFAOYSA-N 1 2 339.439 3.784 20 0 EHADLO Fc1c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)ccnc1Cl ZINC000824202006 1137128078 /nfs/dbraw/zinc/12/80/78/1137128078.db2.gz CMTQBEFOXUAYHT-GOSISDBHSA-N 1 2 332.806 3.896 20 0 EHADLO Fc1c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)ccnc1Cl ZINC000824202006 1137128080 /nfs/dbraw/zinc/12/80/80/1137128080.db2.gz CMTQBEFOXUAYHT-GOSISDBHSA-N 1 2 332.806 3.896 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)s1 ZINC001136854667 1137131987 /nfs/dbraw/zinc/13/19/87/1137131987.db2.gz GWRYCXXNCVCFKI-SFHVURJKSA-N 1 2 346.471 3.666 20 0 EHADLO Clc1cccc2c1CC[C@@H]([N@@H+]1CCOC[C@H]1c1cccnc1)C2 ZINC001171056004 1137138200 /nfs/dbraw/zinc/13/82/00/1137138200.db2.gz JMOHZAATQQILEV-APWZRJJASA-N 1 2 328.843 3.666 20 0 EHADLO Clc1cccc2c1CC[C@@H]([N@H+]1CCOC[C@H]1c1cccnc1)C2 ZINC001171056004 1137138201 /nfs/dbraw/zinc/13/82/01/1137138201.db2.gz JMOHZAATQQILEV-APWZRJJASA-N 1 2 328.843 3.666 20 0 EHADLO Cc1c(F)nccc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000862387631 1137141944 /nfs/dbraw/zinc/14/19/44/1137141944.db2.gz OUWOQINXKDPLGC-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H]3CC=CC[C@H]3C)CC2)cs1 ZINC000805868374 1137142053 /nfs/dbraw/zinc/14/20/53/1137142053.db2.gz CECLFKKSNRLOGU-RHSMWYFYSA-N 1 2 348.512 3.809 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCCOC(C)(C)C1 ZINC001143310884 1137151062 /nfs/dbraw/zinc/15/10/62/1137151062.db2.gz UDAPHJUBSHDMNI-UHFFFAOYSA-N 1 2 335.341 3.854 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCCOC(C)(C)C1 ZINC001143310884 1137151064 /nfs/dbraw/zinc/15/10/64/1137151064.db2.gz UDAPHJUBSHDMNI-UHFFFAOYSA-N 1 2 335.341 3.854 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1)C(C)C ZINC001171064909 1137151125 /nfs/dbraw/zinc/15/11/25/1137151125.db2.gz TZFVYWGLEQOKBX-WFASDCNBSA-N 1 2 330.255 3.638 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(Br)n2)C1 ZINC000794495800 1137171940 /nfs/dbraw/zinc/17/19/40/1137171940.db2.gz JZWSHIDZGMIEFJ-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(Br)n2)C1 ZINC000794495800 1137171942 /nfs/dbraw/zinc/17/19/42/1137171942.db2.gz JZWSHIDZGMIEFJ-IUODEOHRSA-N 1 2 332.245 3.822 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000863265407 1137178777 /nfs/dbraw/zinc/17/87/77/1137178777.db2.gz QBIVNJPFOHHPFU-OAHLLOKOSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000863265407 1137178779 /nfs/dbraw/zinc/17/87/79/1137178779.db2.gz QBIVNJPFOHHPFU-OAHLLOKOSA-N 1 2 342.361 3.802 20 0 EHADLO O=C1O[C@@H](c2ccccc2)CN1C[NH+]1CCC(c2ccco2)CC1 ZINC000863270390 1137179203 /nfs/dbraw/zinc/17/92/03/1137179203.db2.gz NPJGRSFOTWEBPY-GOSISDBHSA-N 1 2 326.396 3.610 20 0 EHADLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171091217 1137179469 /nfs/dbraw/zinc/17/94/69/1137179469.db2.gz NYLNMEXYDGSCJZ-OALUTQOASA-N 1 2 343.854 3.571 20 0 EHADLO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143627743 1137183976 /nfs/dbraw/zinc/18/39/76/1137183976.db2.gz SVCYLIJNJWBBGX-UHFFFAOYSA-N 1 2 344.833 3.840 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@H]1CO ZINC001143698626 1137190309 /nfs/dbraw/zinc/19/03/09/1137190309.db2.gz ILDUIQLLEZSZFF-MFKMUULPSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)[C@H]1CO ZINC001143698626 1137190311 /nfs/dbraw/zinc/19/03/11/1137190311.db2.gz ILDUIQLLEZSZFF-MFKMUULPSA-N 1 2 337.769 3.831 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000119536567 1137193189 /nfs/dbraw/zinc/19/31/89/1137193189.db2.gz ONWOBWPDZVIAAN-CYBMUJFWSA-N 1 2 332.473 3.622 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC000119536567 1137193190 /nfs/dbraw/zinc/19/31/90/1137193190.db2.gz ONWOBWPDZVIAAN-CYBMUJFWSA-N 1 2 332.473 3.622 20 0 EHADLO CCOc1c(F)cc(C[NH+]2CCC(C)(C(=O)OC)CC2)cc1Cl ZINC001143740708 1137195010 /nfs/dbraw/zinc/19/50/10/1137195010.db2.gz GOUWTLDBAUQYKD-UHFFFAOYSA-N 1 2 343.826 3.653 20 0 EHADLO CCOc1c(F)cc(C[N@H+](C)[C@H](C(=O)OC)C(C)C)cc1Cl ZINC001143744940 1137195502 /nfs/dbraw/zinc/19/55/02/1137195502.db2.gz DPUYTJFHZAFEBU-AWEZNQCLSA-N 1 2 331.815 3.507 20 0 EHADLO CCOc1c(F)cc(C[N@@H+](C)[C@H](C(=O)OC)C(C)C)cc1Cl ZINC001143744940 1137195503 /nfs/dbraw/zinc/19/55/03/1137195503.db2.gz DPUYTJFHZAFEBU-AWEZNQCLSA-N 1 2 331.815 3.507 20 0 EHADLO COc1cccc([C@H]([NH3+])c2nc(C(C)(C)Cc3ccccc3)no2)c1 ZINC000863671598 1137198359 /nfs/dbraw/zinc/19/83/59/1137198359.db2.gz DLPQYGKBQCMPRE-KRWDZBQOSA-N 1 2 337.423 3.647 20 0 EHADLO COC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1Br ZINC001143812604 1137202915 /nfs/dbraw/zinc/20/29/15/1137202915.db2.gz CAMTUOYUWPEQBV-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO COC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1Br ZINC001143812604 1137202917 /nfs/dbraw/zinc/20/29/17/1137202917.db2.gz CAMTUOYUWPEQBV-SNVBAGLBSA-N 1 2 334.204 3.728 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860508 1137204826 /nfs/dbraw/zinc/20/48/26/1137204826.db2.gz PMWWMEVMJAGFHF-UWVGGRQHSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143860508 1137204828 /nfs/dbraw/zinc/20/48/28/1137204828.db2.gz PMWWMEVMJAGFHF-UWVGGRQHSA-N 1 2 334.218 3.764 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)ccc(Cl)c1Cl)C2 ZINC001143866970 1137206744 /nfs/dbraw/zinc/20/67/44/1137206744.db2.gz RSDMPTVSQFZHBP-AXFHLTTASA-N 1 2 346.229 3.906 20 0 EHADLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)ccc(Cl)c1Cl)C2 ZINC001143866970 1137206747 /nfs/dbraw/zinc/20/67/47/1137206747.db2.gz RSDMPTVSQFZHBP-AXFHLTTASA-N 1 2 346.229 3.906 20 0 EHADLO CSc1ncc(Cl)c(C[NH2+]C(C)(C)c2ccnc(Cl)c2)n1 ZINC001160449082 1137207190 /nfs/dbraw/zinc/20/71/90/1137207190.db2.gz RNVSPNCVCWPMKJ-UHFFFAOYSA-N 1 2 343.283 3.925 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582780 1137214012 /nfs/dbraw/zinc/21/40/12/1137214012.db2.gz FXPMMNGOVNPBHC-PJIJBLCYSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc3ccccc3c(Cl)n1)C[C@@H](C)O2 ZINC000794582780 1137214014 /nfs/dbraw/zinc/21/40/14/1137214014.db2.gz FXPMMNGOVNPBHC-PJIJBLCYSA-N 1 2 346.858 3.657 20 0 EHADLO CCOc1ccc(F)c(C[NH+]2CCC(c3ncccn3)CC2)c1F ZINC001143937432 1137216199 /nfs/dbraw/zinc/21/61/99/1137216199.db2.gz NRCMJNYKWONERD-UHFFFAOYSA-N 1 2 333.382 3.533 20 0 EHADLO Cc1cccc(N2CCN(Cc3c(Cl)ccc(F)c3F)CC2)[nH+]1 ZINC001143946032 1137217162 /nfs/dbraw/zinc/21/71/62/1137217162.db2.gz MLJDWFVSVPRJTP-UHFFFAOYSA-N 1 2 337.801 3.644 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1F ZINC001143947135 1137217454 /nfs/dbraw/zinc/21/74/54/1137217454.db2.gz JALNFZUZTLEDEL-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1F ZINC001143947135 1137217455 /nfs/dbraw/zinc/21/74/55/1137217455.db2.gz JALNFZUZTLEDEL-AWEZNQCLSA-N 1 2 348.393 3.720 20 0 EHADLO CCc1noc2ncc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(C)c3)cc12 ZINC001143934157 1137218253 /nfs/dbraw/zinc/21/82/53/1137218253.db2.gz RYFHULFOKASDLP-UHFFFAOYSA-N 1 2 347.378 3.532 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c1F ZINC001143982861 1137220657 /nfs/dbraw/zinc/22/06/57/1137220657.db2.gz BTURENPXYTYLKM-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c1F ZINC001143982861 1137220659 /nfs/dbraw/zinc/22/06/59/1137220659.db2.gz BTURENPXYTYLKM-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000794666142 1137222443 /nfs/dbraw/zinc/22/24/43/1137222443.db2.gz XGGGNDGHBUSUQT-UHFFFAOYSA-N 1 2 330.482 3.818 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000794666142 1137222444 /nfs/dbraw/zinc/22/24/44/1137222444.db2.gz XGGGNDGHBUSUQT-UHFFFAOYSA-N 1 2 330.482 3.818 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844443214 1137224297 /nfs/dbraw/zinc/22/42/97/1137224297.db2.gz IFSANCQIJUHGEX-HNNXBMFYSA-N 1 2 329.774 3.748 20 0 EHADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844443214 1137224298 /nfs/dbraw/zinc/22/42/98/1137224298.db2.gz IFSANCQIJUHGEX-HNNXBMFYSA-N 1 2 329.774 3.748 20 0 EHADLO CCCC(C)(C)C(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001144111664 1137239253 /nfs/dbraw/zinc/23/92/53/1137239253.db2.gz MZCUZTQIGJHBFP-UHFFFAOYSA-N 1 2 330.432 3.603 20 0 EHADLO Cc1c(O)cccc1C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001144107588 1137242274 /nfs/dbraw/zinc/24/22/74/1137242274.db2.gz LUNOXCJLRNVIHU-IBGZPJMESA-N 1 2 339.435 3.799 20 0 EHADLO Cc1c(O)cccc1C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001144107588 1137242276 /nfs/dbraw/zinc/24/22/76/1137242276.db2.gz LUNOXCJLRNVIHU-IBGZPJMESA-N 1 2 339.435 3.799 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@H+](CC1CC1)CC1CCC1 ZINC000794715050 1137242864 /nfs/dbraw/zinc/24/28/64/1137242864.db2.gz TXQQFCYEKJLUBP-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@@H+](CC1CC1)CC1CCC1 ZINC000794715050 1137242865 /nfs/dbraw/zinc/24/28/65/1137242865.db2.gz TXQQFCYEKJLUBP-UHFFFAOYSA-N 1 2 338.546 3.744 20 0 EHADLO CC[C@@H]1[N@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@]12CCC(=O)N2 ZINC001144127065 1137243705 /nfs/dbraw/zinc/24/37/05/1137243705.db2.gz QCIBUYXBIGWABB-RDJZCZTQSA-N 1 2 342.817 3.641 20 0 EHADLO CC[C@@H]1[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@]12CCC(=O)N2 ZINC001144127065 1137243707 /nfs/dbraw/zinc/24/37/07/1137243707.db2.gz QCIBUYXBIGWABB-RDJZCZTQSA-N 1 2 342.817 3.641 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000120236030 1137245600 /nfs/dbraw/zinc/24/56/00/1137245600.db2.gz XTSAIDNXQVNGJL-HNNXBMFYSA-N 1 2 346.525 3.721 20 0 EHADLO S=c1sc(N2CCCC2)nn1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120236030 1137245601 /nfs/dbraw/zinc/24/56/01/1137245601.db2.gz XTSAIDNXQVNGJL-HNNXBMFYSA-N 1 2 346.525 3.721 20 0 EHADLO Fc1ccc2n[nH]c(C[N@@H+]3CCSC[C@@H]3c3ccccc3)c2c1 ZINC001144200101 1137250481 /nfs/dbraw/zinc/25/04/81/1137250481.db2.gz YCMZKHRUVBGWMM-GOSISDBHSA-N 1 2 327.428 3.992 20 0 EHADLO Fc1ccc2n[nH]c(C[N@H+]3CCSC[C@@H]3c3ccccc3)c2c1 ZINC001144200101 1137250482 /nfs/dbraw/zinc/25/04/82/1137250482.db2.gz YCMZKHRUVBGWMM-GOSISDBHSA-N 1 2 327.428 3.992 20 0 EHADLO CCC(=O)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794801459 1137252170 /nfs/dbraw/zinc/25/21/70/1137252170.db2.gz GHEUJHCVVQPIEA-WBMJQRKESA-N 1 2 329.362 3.836 20 0 EHADLO CCC(=O)CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794801459 1137252171 /nfs/dbraw/zinc/25/21/71/1137252171.db2.gz GHEUJHCVVQPIEA-WBMJQRKESA-N 1 2 329.362 3.836 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3CC4(CSC4)C3)c2)[nH+]c1C ZINC000864992734 1137257000 /nfs/dbraw/zinc/25/70/00/1137257000.db2.gz LDWOLWGLURXVGN-UHFFFAOYSA-N 1 2 327.453 3.775 20 0 EHADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCc2ccc(Cl)cc21 ZINC000844840097 1137258982 /nfs/dbraw/zinc/25/89/82/1137258982.db2.gz FDFDEMHOBALCFN-CYBMUJFWSA-N 1 2 339.826 3.790 20 0 EHADLO CC(C)(C)c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Cl)n1 ZINC000865067202 1137261217 /nfs/dbraw/zinc/26/12/17/1137261217.db2.gz OVSVAKAWZQLIOC-UHFFFAOYSA-N 1 2 346.862 3.706 20 0 EHADLO O=C(c1cc2ccnc(Cl)c2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158743 1137265792 /nfs/dbraw/zinc/26/57/92/1137265792.db2.gz MNVDRPQTUVDCSV-LBPRGKRZSA-N 1 2 346.843 3.624 20 0 EHADLO COC[C@@H](C)n1c(C)cc(C(=O)Cn2c[nH+]c(C(C)(C)C)c2)c1C ZINC000865374351 1137278540 /nfs/dbraw/zinc/27/85/40/1137278540.db2.gz CJWNQBXWRNFWGH-CQSZACIVSA-N 1 2 331.460 3.689 20 0 EHADLO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865433147 1137283279 /nfs/dbraw/zinc/28/32/79/1137283279.db2.gz GDPWYTJUWHYNNP-UHFFFAOYSA-N 1 2 345.512 3.579 20 0 EHADLO C[C@H](CC(=O)OCCc1cc(Cl)ccc1Cl)n1cc[nH+]c1 ZINC000845283661 1137283482 /nfs/dbraw/zinc/28/34/82/1137283482.db2.gz GEYLBSUYEOMXGM-LLVKDONJSA-N 1 2 327.211 3.927 20 0 EHADLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000865487739 1137288181 /nfs/dbraw/zinc/28/81/81/1137288181.db2.gz HSXHVJMCRUZQII-UHFFFAOYSA-N 1 2 336.439 3.734 20 0 EHADLO COCCn1ncc(C)c1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614028 1137291309 /nfs/dbraw/zinc/29/13/09/1137291309.db2.gz CCYZIHURVSQJAS-UHFFFAOYSA-N 1 2 343.475 3.745 20 0 EHADLO CN(c1ccc(Nc2ccc3c(c2)nnn3C)c[nH+]1)C1CCCCC1 ZINC001212614047 1137291321 /nfs/dbraw/zinc/29/13/21/1137291321.db2.gz DHYOXIMOEUVMQN-UHFFFAOYSA-N 1 2 336.443 3.876 20 0 EHADLO Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865542319 1137293386 /nfs/dbraw/zinc/29/33/86/1137293386.db2.gz QIKYQDKKMAUCDF-SFHVURJKSA-N 1 2 346.438 3.677 20 0 EHADLO Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865542319 1137293388 /nfs/dbraw/zinc/29/33/88/1137293388.db2.gz QIKYQDKKMAUCDF-SFHVURJKSA-N 1 2 346.438 3.677 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1C(C)(C)C ZINC000865556112 1137294899 /nfs/dbraw/zinc/29/48/99/1137294899.db2.gz OQOZVFBFHJWULW-UHFFFAOYSA-N 1 2 330.476 3.629 20 0 EHADLO C[C@@H](CC(=O)O[C@H](Cc1ccccc1)c1cccnc1)n1cc[nH+]c1 ZINC000845497581 1137295004 /nfs/dbraw/zinc/29/50/04/1137295004.db2.gz HOPLUSHRIIJBDF-QFBILLFUSA-N 1 2 335.407 3.756 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000845501555 1137295442 /nfs/dbraw/zinc/29/54/42/1137295442.db2.gz DPQLSZRSRFEQDM-INIZCTEOSA-N 1 2 344.377 3.816 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144473239 1137298739 /nfs/dbraw/zinc/29/87/39/1137298739.db2.gz RZXNBKGQAJUPLE-QGZVFWFLSA-N 1 2 330.403 3.713 20 0 EHADLO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144473239 1137298741 /nfs/dbraw/zinc/29/87/41/1137298741.db2.gz RZXNBKGQAJUPLE-QGZVFWFLSA-N 1 2 330.403 3.713 20 0 EHADLO Cc1cnccc1[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845581682 1137299513 /nfs/dbraw/zinc/29/95/13/1137299513.db2.gz HINMTKYBAUBECW-UZLBHIALSA-N 1 2 335.407 3.870 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001144489374 1137299805 /nfs/dbraw/zinc/29/98/05/1137299805.db2.gz GCWPRQWFOUQCIA-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001144489374 1137299807 /nfs/dbraw/zinc/29/98/07/1137299807.db2.gz GCWPRQWFOUQCIA-SFHVURJKSA-N 1 2 344.842 3.952 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1F ZINC000865631692 1137300421 /nfs/dbraw/zinc/30/04/21/1137300421.db2.gz HCTSAOYPLUXQAK-OAHLLOKOSA-N 1 2 347.283 3.529 20 0 EHADLO COc1cc(Cl)cc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c1 ZINC001144495062 1137300891 /nfs/dbraw/zinc/30/08/91/1137300891.db2.gz NBDNCRMDSKCIIU-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)c1 ZINC001144495062 1137300892 /nfs/dbraw/zinc/30/08/92/1137300892.db2.gz NBDNCRMDSKCIIU-UHFFFAOYSA-N 1 2 329.831 3.937 20 0 EHADLO COc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1OCc1ccccc1 ZINC001144498873 1137301287 /nfs/dbraw/zinc/30/12/87/1137301287.db2.gz IXMCWLPXUMWCDO-UHFFFAOYSA-N 1 2 339.435 3.639 20 0 EHADLO COc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1OCc1ccccc1 ZINC001144498873 1137301288 /nfs/dbraw/zinc/30/12/88/1137301288.db2.gz IXMCWLPXUMWCDO-UHFFFAOYSA-N 1 2 339.435 3.639 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000120692354 1137305330 /nfs/dbraw/zinc/30/53/30/1137305330.db2.gz KAACNIABXHHPBH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000120692354 1137305331 /nfs/dbraw/zinc/30/53/31/1137305331.db2.gz KAACNIABXHHPBH-UHFFFAOYSA-N 1 2 347.846 3.593 20 0 EHADLO FC1(F)[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)C[C@H]21 ZINC000845751663 1137308474 /nfs/dbraw/zinc/30/84/74/1137308474.db2.gz BUIZEBGTMHNDBO-AOOOYVTPSA-N 1 2 325.156 3.699 20 0 EHADLO COC1(c2ccccc2)CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144558756 1137309703 /nfs/dbraw/zinc/30/97/03/1137309703.db2.gz CGVSKWQFEGHRBH-UHFFFAOYSA-N 1 2 333.378 3.808 20 0 EHADLO O=C1CC2(CC[NH+](Cc3c(F)cc(O)cc3F)CC2)c2ccccc21 ZINC001144562137 1137310284 /nfs/dbraw/zinc/31/02/84/1137310284.db2.gz ZZYPCRGLOHLSEX-UHFFFAOYSA-N 1 2 343.373 3.791 20 0 EHADLO CCc1ncc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)s1 ZINC000865804476 1137313169 /nfs/dbraw/zinc/31/31/69/1137313169.db2.gz WUUKOPUOQIVOSH-UHFFFAOYSA-N 1 2 344.406 3.547 20 0 EHADLO COc1ccc(Br)c(C[N@H+](C)[C@H]2CCc3ccccc32)n1 ZINC001144611046 1137317004 /nfs/dbraw/zinc/31/70/04/1137317004.db2.gz ISWJKYMZDKQOQF-INIZCTEOSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@@H+](C)[C@H]2CCc3ccccc32)n1 ZINC001144611046 1137317005 /nfs/dbraw/zinc/31/70/05/1137317005.db2.gz ISWJKYMZDKQOQF-INIZCTEOSA-N 1 2 347.256 3.972 20 0 EHADLO CC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1c(F)cccc1Cl ZINC001144643260 1137323895 /nfs/dbraw/zinc/32/38/95/1137323895.db2.gz JOXXRELWRPNXAO-UHFFFAOYSA-N 1 2 332.810 3.783 20 0 EHADLO CC[N@@H+](Cc1ccc2c(c1)nnn2C)Cc1c(F)cccc1Cl ZINC001144643260 1137323897 /nfs/dbraw/zinc/32/38/97/1137323897.db2.gz JOXXRELWRPNXAO-UHFFFAOYSA-N 1 2 332.810 3.783 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 ZINC000866094691 1137329084 /nfs/dbraw/zinc/32/90/84/1137329084.db2.gz GYMGTWCBLKPEKW-RTBURBONSA-N 1 2 343.515 3.520 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H](OC2CCC2)CC1 ZINC000866146903 1137331754 /nfs/dbraw/zinc/33/17/54/1137331754.db2.gz QOGFNCTVGCKWGY-OAHLLOKOSA-N 1 2 343.475 3.509 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(-n2ccnc2)cc1 ZINC000866215378 1137335848 /nfs/dbraw/zinc/33/58/48/1137335848.db2.gz JUHGMWDXJIAHOW-ADLFWFRXSA-N 1 2 337.398 3.995 20 0 EHADLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144732191 1137339661 /nfs/dbraw/zinc/33/96/61/1137339661.db2.gz PCQLYDHRDKDZCH-UHFFFAOYSA-N 1 2 344.833 3.841 20 0 EHADLO Cc1ccc(N(CC(C)C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000846300037 1137346110 /nfs/dbraw/zinc/34/61/10/1137346110.db2.gz ZURKHVPOJMXHNP-KRWDZBQOSA-N 1 2 325.456 3.752 20 0 EHADLO COc1ccccc1N1CCC([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000846748190 1137364510 /nfs/dbraw/zinc/36/45/10/1137364510.db2.gz JMQLXUWUZKKMOJ-UHFFFAOYSA-N 1 2 325.456 3.842 20 0 EHADLO COc1ccccc1N1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000846748190 1137364512 /nfs/dbraw/zinc/36/45/12/1137364512.db2.gz JMQLXUWUZKKMOJ-UHFFFAOYSA-N 1 2 325.456 3.842 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1nccs1)c1cccc(Br)c1 ZINC000866597705 1137367747 /nfs/dbraw/zinc/36/77/47/1137367747.db2.gz YAEFHXBVBFOBGR-GXFFZTMASA-N 1 2 341.274 3.944 20 0 EHADLO COc1cc(F)c([C@H](C)[NH2+]Cc2noc3cc(F)ccc23)cc1OC ZINC000866608685 1137368815 /nfs/dbraw/zinc/36/88/15/1137368815.db2.gz DLPYBSORAJEFGJ-JTQLQIEISA-N 1 2 348.349 3.974 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccccc1N(C)C ZINC000866619885 1137370082 /nfs/dbraw/zinc/37/00/82/1137370082.db2.gz ISIRBFIHFJUJHI-JTQLQIEISA-N 1 2 340.290 3.822 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC3(Br)CC3)nc2c1 ZINC000846902864 1137375163 /nfs/dbraw/zinc/37/51/63/1137375163.db2.gz WJQRIMFVEDHEQP-CQSZACIVSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CC3(Br)CC3)nc2c1 ZINC000846902864 1137375164 /nfs/dbraw/zinc/37/51/64/1137375164.db2.gz WJQRIMFVEDHEQP-CQSZACIVSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CC3(Br)CC3)[nH]c2c1 ZINC000846902864 1137375166 /nfs/dbraw/zinc/37/51/66/1137375166.db2.gz WJQRIMFVEDHEQP-CQSZACIVSA-N 1 2 334.261 3.936 20 0 EHADLO Cc1ccc2nc([C@H]3CCC[N@H+]3CC3(Br)CC3)[nH]c2c1 ZINC000846902864 1137375167 /nfs/dbraw/zinc/37/51/67/1137375167.db2.gz WJQRIMFVEDHEQP-CQSZACIVSA-N 1 2 334.261 3.936 20 0 EHADLO CCO[C@@H](C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C)C1CCCC1 ZINC000867943157 1137390766 /nfs/dbraw/zinc/39/07/66/1137390766.db2.gz NIXLRUMWZPEIKV-QGZVFWFLSA-N 1 2 327.428 3.919 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147126923 1137400191 /nfs/dbraw/zinc/40/01/91/1137400191.db2.gz RJVCMJSNXMRTMU-JKJDWNRSSA-N 1 2 349.425 3.602 20 0 EHADLO C[C@H](CNC(=O)c1cc(Cl)cc2ccccc21)Cn1cc[nH+]c1 ZINC001147456477 1137407640 /nfs/dbraw/zinc/40/76/40/1137407640.db2.gz RTNPKSDIRPKKIV-CYBMUJFWSA-N 1 2 327.815 3.756 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H](c2ccccc2)C1 ZINC001147796904 1137413098 /nfs/dbraw/zinc/41/30/98/1137413098.db2.gz WHFUKIKRUBUMJG-GOSISDBHSA-N 1 2 337.467 3.508 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H](c2ccccc2)C1 ZINC001147796904 1137413100 /nfs/dbraw/zinc/41/31/00/1137413100.db2.gz WHFUKIKRUBUMJG-GOSISDBHSA-N 1 2 337.467 3.508 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC001147796905 1137413183 /nfs/dbraw/zinc/41/31/83/1137413183.db2.gz WHFUKIKRUBUMJG-SFHVURJKSA-N 1 2 337.467 3.508 20 0 EHADLO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC001147796905 1137413184 /nfs/dbraw/zinc/41/31/84/1137413184.db2.gz WHFUKIKRUBUMJG-SFHVURJKSA-N 1 2 337.467 3.508 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cn(C)c2ccccc12 ZINC001148186993 1137419420 /nfs/dbraw/zinc/41/94/20/1137419420.db2.gz HIVURFQLEXCTGT-UHFFFAOYSA-N 1 2 344.418 3.636 20 0 EHADLO O=C(NCCCCC1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000869057204 1137435198 /nfs/dbraw/zinc/43/51/98/1137435198.db2.gz QGENWEOREOYFDV-UHFFFAOYSA-N 1 2 344.503 3.689 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000348113358 1137441789 /nfs/dbraw/zinc/44/17/89/1137441789.db2.gz ROBAZVNMLIRVSO-NXEZZACHSA-N 1 2 341.839 3.922 20 0 EHADLO COc1cc[nH+]cc1NCCc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC001171343171 1137442068 /nfs/dbraw/zinc/44/20/68/1137442068.db2.gz YJPDOSRBSBYWMI-UHFFFAOYSA-N 1 2 342.439 3.629 20 0 EHADLO C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000348191211 1137452302 /nfs/dbraw/zinc/45/23/02/1137452302.db2.gz UGLBIFMEZBGXQQ-LSDHHAIUSA-N 1 2 329.419 3.844 20 0 EHADLO Fc1ccccc1CO[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000348205974 1137454928 /nfs/dbraw/zinc/45/49/28/1137454928.db2.gz MQELZTGVKIUXCA-MRXNPFEDSA-N 1 2 339.414 3.883 20 0 EHADLO Fc1ccccc1CO[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000348205974 1137454929 /nfs/dbraw/zinc/45/49/29/1137454929.db2.gz MQELZTGVKIUXCA-MRXNPFEDSA-N 1 2 339.414 3.883 20 0 EHADLO c1cc2c(cccc2CNc2ccc(N3CCOCC3)c[nH+]2)s1 ZINC001171377281 1137462700 /nfs/dbraw/zinc/46/27/00/1137462700.db2.gz HCBGVKZVPCLXMX-UHFFFAOYSA-N 1 2 325.437 3.745 20 0 EHADLO Fc1cccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)n1 ZINC000773085195 1137464503 /nfs/dbraw/zinc/46/45/03/1137464503.db2.gz GNDIXMAZVFEXFD-ZDUSSCGKSA-N 1 2 339.183 3.899 20 0 EHADLO COc1cc(F)cc(CNc2[nH+]cccc2CC(=O)OC(C)(C)C)c1 ZINC001171412529 1137476116 /nfs/dbraw/zinc/47/61/16/1137476116.db2.gz BUPZJBHFSZLZSO-UHFFFAOYSA-N 1 2 346.402 3.726 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)[C@@H](CC)CSC)C1 ZINC000773255759 1137481744 /nfs/dbraw/zinc/48/17/44/1137481744.db2.gz OXYZDRHLVROSPN-KGLIPLIRSA-N 1 2 342.574 3.846 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)[C@@H](CC)CSC)C1 ZINC000773255759 1137481745 /nfs/dbraw/zinc/48/17/45/1137481745.db2.gz OXYZDRHLVROSPN-KGLIPLIRSA-N 1 2 342.574 3.846 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cn2c3cc(F)ccc3oc2=O)c1 ZINC000773320093 1137489459 /nfs/dbraw/zinc/48/94/59/1137489459.db2.gz CYADSUZERMQHHI-UHFFFAOYSA-N 1 2 344.386 3.610 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cn2c3cc(F)ccc3oc2=O)c1 ZINC000773320093 1137489460 /nfs/dbraw/zinc/48/94/60/1137489460.db2.gz CYADSUZERMQHHI-UHFFFAOYSA-N 1 2 344.386 3.610 20 0 EHADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171464013 1137490780 /nfs/dbraw/zinc/49/07/80/1137490780.db2.gz ZDHNBOMWWMEELD-QAPCUYQASA-N 1 2 337.410 3.534 20 0 EHADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504361 1137494832 /nfs/dbraw/zinc/49/48/32/1137494832.db2.gz ATAWWVPTCIURQW-DOMZBBRYSA-N 1 2 343.389 3.529 20 0 EHADLO CSCC[C@H]([NH2+][C@H]1CCc2c(C)cccc2C1)C(=O)OC(C)C ZINC001171561057 1137498096 /nfs/dbraw/zinc/49/80/96/1137498096.db2.gz WIFUOTQRTKWKSD-WMZOPIPTSA-N 1 2 335.513 3.515 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2occc2c1 ZINC001171632683 1137499813 /nfs/dbraw/zinc/49/98/13/1137499813.db2.gz KLFWAIBMCFKERR-UHFFFAOYSA-N 1 2 331.375 3.859 20 0 EHADLO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888457 1137517074 /nfs/dbraw/zinc/51/70/74/1137517074.db2.gz MRUJVLXJQJPWCD-NVXWUHKLSA-N 1 2 336.426 3.658 20 0 EHADLO C[C@@H]1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1(F)F ZINC001171888457 1137517075 /nfs/dbraw/zinc/51/70/75/1137517075.db2.gz MRUJVLXJQJPWCD-NVXWUHKLSA-N 1 2 336.426 3.658 20 0 EHADLO COC(=O)C1([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001171958492 1137519051 /nfs/dbraw/zinc/51/90/51/1137519051.db2.gz AGIZYGARJKWEAE-GFCCVEGCSA-N 1 2 329.362 3.712 20 0 EHADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959293 1137519163 /nfs/dbraw/zinc/51/91/63/1137519163.db2.gz VIZQKJAILQCQTB-STQMWFEESA-N 1 2 331.378 3.958 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000871274077 1137531187 /nfs/dbraw/zinc/53/11/87/1137531187.db2.gz MZJULRLTQGFULL-MRXNPFEDSA-N 1 2 349.356 3.761 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000871274077 1137531189 /nfs/dbraw/zinc/53/11/89/1137531189.db2.gz MZJULRLTQGFULL-MRXNPFEDSA-N 1 2 349.356 3.761 20 0 EHADLO c1ccc(C[N@@H+]2CCC23CN([C@H]2CSc4ccccc4C2)C3)cc1 ZINC001172201192 1137543734 /nfs/dbraw/zinc/54/37/34/1137543734.db2.gz FGGLQVXWQSAWQQ-LJQANCHMSA-N 1 2 336.504 3.664 20 0 EHADLO c1ccc(C[N@H+]2CCC23CN([C@H]2CSc4ccccc4C2)C3)cc1 ZINC001172201192 1137543736 /nfs/dbraw/zinc/54/37/36/1137543736.db2.gz FGGLQVXWQSAWQQ-LJQANCHMSA-N 1 2 336.504 3.664 20 0 EHADLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)CCO[C@@H](C)CC ZINC001172355464 1137554282 /nfs/dbraw/zinc/55/42/82/1137554282.db2.gz VJBVSVVHSDNXKM-CABCVRRESA-N 1 2 327.490 3.707 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)CCO[C@@H](C)CC ZINC001172355464 1137554283 /nfs/dbraw/zinc/55/42/83/1137554283.db2.gz VJBVSVVHSDNXKM-CABCVRRESA-N 1 2 327.490 3.707 20 0 EHADLO Cc1cccn2cc(Cc3noc(-c4coc(C(C)(C)C)n4)n3)[nH+]c12 ZINC000871833399 1137559699 /nfs/dbraw/zinc/55/96/99/1137559699.db2.gz VLKIFLYKTDFIEN-UHFFFAOYSA-N 1 2 337.383 3.569 20 0 EHADLO CC(C)(C)c1cn(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c[nH+]1 ZINC000871989406 1137564103 /nfs/dbraw/zinc/56/41/03/1137564103.db2.gz NJOXWBCONZSSCF-CYBMUJFWSA-N 1 2 328.334 3.813 20 0 EHADLO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1F ZINC000872025237 1137565756 /nfs/dbraw/zinc/56/57/56/1137565756.db2.gz IUSNFIMXZCBAJT-RHSMWYFYSA-N 1 2 342.414 3.546 20 0 EHADLO CC(C)(C)[C@H]1C[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000872056333 1137568509 /nfs/dbraw/zinc/56/85/09/1137568509.db2.gz PZOJFCRVCRYILS-VQIMIIECSA-N 1 2 332.488 3.653 20 0 EHADLO CC(C)(C)[C@H]1C[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)CCO1 ZINC000872056333 1137568510 /nfs/dbraw/zinc/56/85/10/1137568510.db2.gz PZOJFCRVCRYILS-VQIMIIECSA-N 1 2 332.488 3.653 20 0 EHADLO CCSCCCc1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872180306 1137575392 /nfs/dbraw/zinc/57/53/92/1137575392.db2.gz ODWPPUPHVCYNDL-ZDUSSCGKSA-N 1 2 345.390 3.822 20 0 EHADLO CCOC1CC2(C[C@H]2Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000872775627 1137584173 /nfs/dbraw/zinc/58/41/73/1137584173.db2.gz GJWIEJLRRKXYMF-NDBLMLTRSA-N 1 2 326.375 3.620 20 0 EHADLO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)c(Br)cc1F ZINC000873186721 1137593188 /nfs/dbraw/zinc/59/31/88/1137593188.db2.gz WIZWCUMELQICNN-NSHDSACASA-N 1 2 338.224 3.846 20 0 EHADLO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1c(F)cccc1F ZINC000873969824 1137608653 /nfs/dbraw/zinc/60/86/53/1137608653.db2.gz RCFDFTZDTAEQMR-BXKDBHETSA-N 1 2 347.287 3.532 20 0 EHADLO CC(C)(C)Oc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000874345509 1137613165 /nfs/dbraw/zinc/61/31/65/1137613165.db2.gz AGXYMUQGYAXFNO-INIZCTEOSA-N 1 2 327.428 3.538 20 0 EHADLO Cc1cc2ccccc2nc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000874378992 1137613431 /nfs/dbraw/zinc/61/34/31/1137613431.db2.gz ILZCWVUEQZISLG-UHFFFAOYSA-N 1 2 334.423 3.560 20 0 EHADLO O=C(c1sccc1C(F)F)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874894123 1137625705 /nfs/dbraw/zinc/62/57/05/1137625705.db2.gz BWQGZAQYQJMLCR-CYBMUJFWSA-N 1 2 340.370 3.612 20 0 EHADLO CCCCNc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1 ZINC000875933795 1137640907 /nfs/dbraw/zinc/64/09/07/1137640907.db2.gz RWQLFTPARNPZDF-INIZCTEOSA-N 1 2 339.439 3.688 20 0 EHADLO Cc1ccc(N(C(=O)c2cccc3[nH+]ccn32)C2CCOCC2)cc1C ZINC000876046198 1137642930 /nfs/dbraw/zinc/64/29/30/1137642930.db2.gz DPVFVSWVEFDPQO-UHFFFAOYSA-N 1 2 349.434 3.777 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@@H](C)CO1 ZINC000876757154 1137660608 /nfs/dbraw/zinc/66/06/08/1137660608.db2.gz DGJKTMHYUHJTCS-LIRRHRJNSA-N 1 2 338.407 3.804 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@@H](C)CO1 ZINC000876757154 1137660609 /nfs/dbraw/zinc/66/06/09/1137660609.db2.gz DGJKTMHYUHJTCS-LIRRHRJNSA-N 1 2 338.407 3.804 20 0 EHADLO CCN(C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1)CC(F)(F)F ZINC000876783010 1137661191 /nfs/dbraw/zinc/66/11/91/1137661191.db2.gz TUXHYZMEPHDIAN-JTQLQIEISA-N 1 2 341.830 3.503 20 0 EHADLO CCN(C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1)CC(F)(F)F ZINC000876783010 1137661192 /nfs/dbraw/zinc/66/11/92/1137661192.db2.gz TUXHYZMEPHDIAN-JTQLQIEISA-N 1 2 341.830 3.503 20 0 EHADLO Clc1csc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000876901689 1137664891 /nfs/dbraw/zinc/66/48/91/1137664891.db2.gz HKYKWJTURVILRN-UHFFFAOYSA-N 1 2 331.224 3.511 20 0 EHADLO O=C(C[NH2+]Cc1cc(C2CC2)no1)Nc1cc(Cl)ccc1Cl ZINC000876987261 1137667059 /nfs/dbraw/zinc/66/70/59/1137667059.db2.gz VICGJJSQZWNAFW-UHFFFAOYSA-N 1 2 340.210 3.587 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C=C1CCC(C)CC1 ZINC000126331193 1137669955 /nfs/dbraw/zinc/66/99/55/1137669955.db2.gz KRXKOZGGWCVEQA-UHFFFAOYSA-N 1 2 342.483 3.902 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2c(F)cc(F)c(F)c2F)c1C ZINC000877487621 1137678006 /nfs/dbraw/zinc/67/80/06/1137678006.db2.gz BSJFSDYXKXQILA-UHFFFAOYSA-N 1 2 328.309 3.553 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(Cl)ccc1Br ZINC000877487515 1137678023 /nfs/dbraw/zinc/67/80/23/1137678023.db2.gz XAIBYDKKJJFLEA-QWRGUYRKSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1nc(Cl)ccc1Br ZINC000877487515 1137678024 /nfs/dbraw/zinc/67/80/24/1137678024.db2.gz XAIBYDKKJJFLEA-QWRGUYRKSA-N 1 2 347.684 3.623 20 0 EHADLO COC(=O)Nc1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000877496587 1137678535 /nfs/dbraw/zinc/67/85/35/1137678535.db2.gz UNVJCXQOHRUUJU-UHFFFAOYSA-N 1 2 329.400 3.806 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2C=CCC2)cs1)c1ccc(F)cc1F ZINC000877624165 1137683403 /nfs/dbraw/zinc/68/34/03/1137683403.db2.gz LVMVMEPAIGTDFP-CYBMUJFWSA-N 1 2 349.406 3.914 20 0 EHADLO COc1cncc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)c1 ZINC000877669227 1137685226 /nfs/dbraw/zinc/68/52/26/1137685226.db2.gz YUOXSVHPRQFVAY-UHFFFAOYSA-N 1 2 331.803 3.910 20 0 EHADLO Fc1cc(C[NH+]2CCC(Cc3nccs3)CC2)cnc1Cl ZINC000877673214 1137685290 /nfs/dbraw/zinc/68/52/90/1137685290.db2.gz CBLPDKVUFXUACG-UHFFFAOYSA-N 1 2 325.840 3.785 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)ccc1O ZINC000877809324 1137690600 /nfs/dbraw/zinc/69/06/00/1137690600.db2.gz AJBZYTULVHFXHT-UHFFFAOYSA-N 1 2 330.428 3.584 20 0 EHADLO Fc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1OC(F)F ZINC000877821345 1137691707 /nfs/dbraw/zinc/69/17/07/1137691707.db2.gz WSEUPMMCQMAVHL-LBPRGKRZSA-N 1 2 343.267 3.580 20 0 EHADLO Fc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1OC(F)F ZINC000877821345 1137691708 /nfs/dbraw/zinc/69/17/08/1137691708.db2.gz WSEUPMMCQMAVHL-LBPRGKRZSA-N 1 2 343.267 3.580 20 0 EHADLO Clc1ccc2ccc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)nc2c1 ZINC000877977673 1137698180 /nfs/dbraw/zinc/69/81/80/1137698180.db2.gz REATYUFEFNHXDP-AWEZNQCLSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1ccc2ccc(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)nc2c1 ZINC000877977673 1137698181 /nfs/dbraw/zinc/69/81/81/1137698181.db2.gz REATYUFEFNHXDP-AWEZNQCLSA-N 1 2 326.831 3.991 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878158172 1137704942 /nfs/dbraw/zinc/70/49/42/1137704942.db2.gz WLCWOHUSCGKRJI-KRWDZBQOSA-N 1 2 338.411 3.508 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000878158172 1137704943 /nfs/dbraw/zinc/70/49/43/1137704943.db2.gz WLCWOHUSCGKRJI-KRWDZBQOSA-N 1 2 338.411 3.508 20 0 EHADLO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(Cl)s1 ZINC000878277127 1137709472 /nfs/dbraw/zinc/70/94/72/1137709472.db2.gz OJNBVVWWMYAWOL-VMZNBEPHSA-N 1 2 334.872 3.811 20 0 EHADLO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(Cl)s1 ZINC000878277127 1137709473 /nfs/dbraw/zinc/70/94/73/1137709473.db2.gz OJNBVVWWMYAWOL-VMZNBEPHSA-N 1 2 334.872 3.811 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(O)c3)o2)Cc2ccccc21 ZINC000878307670 1137710580 /nfs/dbraw/zinc/71/05/80/1137710580.db2.gz QPBFUCQUUWCLGZ-UHFFFAOYSA-N 1 2 335.407 3.736 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(O)c3)o2)Cc2ccccc21 ZINC000878307670 1137710581 /nfs/dbraw/zinc/71/05/81/1137710581.db2.gz QPBFUCQUUWCLGZ-UHFFFAOYSA-N 1 2 335.407 3.736 20 0 EHADLO COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)co2)c1 ZINC000878315030 1137710761 /nfs/dbraw/zinc/71/07/61/1137710761.db2.gz DLRAEVFZFVRRMW-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)co2)c1 ZINC000878315030 1137710762 /nfs/dbraw/zinc/71/07/62/1137710762.db2.gz DLRAEVFZFVRRMW-GFCCVEGCSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)co1 ZINC000878315752 1137710775 /nfs/dbraw/zinc/71/07/75/1137710775.db2.gz VFJFTPMSCMAZMJ-LLVKDONJSA-N 1 2 326.318 3.734 20 0 EHADLO COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)co1 ZINC000878315752 1137710776 /nfs/dbraw/zinc/71/07/76/1137710776.db2.gz VFJFTPMSCMAZMJ-LLVKDONJSA-N 1 2 326.318 3.734 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CC[C@@H]2CC(C)(C)CO2)n1 ZINC000878379592 1137713611 /nfs/dbraw/zinc/71/36/11/1137713611.db2.gz SYCRLRPZLUYPQB-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3c4c[nH]nc4CC[C@@H]3C)c2)[nH+]c1C ZINC000878392310 1137713983 /nfs/dbraw/zinc/71/39/83/1137713983.db2.gz IIXLAFTVHRUYLM-VOJFVSQTSA-N 1 2 349.438 3.721 20 0 EHADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nocc1C ZINC000878493226 1137717681 /nfs/dbraw/zinc/71/76/81/1137717681.db2.gz XHSTZIQLMKGRHI-JTQLQIEISA-N 1 2 325.206 3.605 20 0 EHADLO CC(C)(CO)[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccnc1 ZINC000878653384 1137723865 /nfs/dbraw/zinc/72/38/65/1137723865.db2.gz GOACLFBYINGHJM-HNNXBMFYSA-N 1 2 340.254 3.633 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@@H](CC(F)(F)F)O1 ZINC000878997161 1137734747 /nfs/dbraw/zinc/73/47/47/1137734747.db2.gz BQGMUHVUUMLGGJ-XBVQOTNRSA-N 1 2 343.389 3.948 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@@H](CC(F)(F)F)O1 ZINC000878997161 1137734748 /nfs/dbraw/zinc/73/47/48/1137734748.db2.gz BQGMUHVUUMLGGJ-XBVQOTNRSA-N 1 2 343.389 3.948 20 0 EHADLO Cc1cc(NC(=O)N2CCCSC[C@@H]2c2ccccc2)c(C)c[nH+]1 ZINC000879074809 1137737087 /nfs/dbraw/zinc/73/70/87/1137737087.db2.gz AMXMSFWAZNODQL-GOSISDBHSA-N 1 2 341.480 3.832 20 0 EHADLO C[C@@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)C1 ZINC000879157377 1137739698 /nfs/dbraw/zinc/73/96/98/1137739698.db2.gz IBSGQQPFZGRWNQ-GFCCVEGCSA-N 1 2 349.862 3.564 20 0 EHADLO CC(C)(CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)CC(F)F ZINC000879445199 1137747883 /nfs/dbraw/zinc/74/78/83/1137747883.db2.gz FUXSNKMEJBKXRT-UHFFFAOYSA-N 1 2 341.446 3.973 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1cc2cnccc2o1 ZINC000879715450 1137756468 /nfs/dbraw/zinc/75/64/68/1137756468.db2.gz WXWXJXINONAVSU-CHWSQXEVSA-N 1 2 340.431 3.731 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879768908 1137758371 /nfs/dbraw/zinc/75/83/71/1137758371.db2.gz JJLCGABHAWLKCX-UHFFFAOYSA-N 1 2 343.920 3.612 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879768908 1137758372 /nfs/dbraw/zinc/75/83/72/1137758372.db2.gz JJLCGABHAWLKCX-UHFFFAOYSA-N 1 2 343.920 3.612 20 0 EHADLO CCOc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c(F)c1 ZINC000879909573 1137762257 /nfs/dbraw/zinc/76/22/57/1137762257.db2.gz QHWRNZBTQVQXKT-SFHVURJKSA-N 1 2 343.402 3.533 20 0 EHADLO CCOc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c(F)c1 ZINC000879909573 1137762258 /nfs/dbraw/zinc/76/22/58/1137762258.db2.gz QHWRNZBTQVQXKT-SFHVURJKSA-N 1 2 343.402 3.533 20 0 EHADLO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(C(C)=O)CC1 ZINC000879950889 1137763023 /nfs/dbraw/zinc/76/30/23/1137763023.db2.gz CQTUFYWTIWYMAF-UHFFFAOYSA-N 1 2 349.427 3.628 20 0 EHADLO Cc1cc(CNC(=O)C2(c3cccnc3)CC3(CCC3)C2)cc(C)[nH+]1 ZINC000880320399 1137775253 /nfs/dbraw/zinc/77/52/53/1137775253.db2.gz GSFPBUDZNCXILW-UHFFFAOYSA-N 1 2 335.451 3.612 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2(C)C)cc1 ZINC000881658708 1137812962 /nfs/dbraw/zinc/81/29/62/1137812962.db2.gz HSBMJXUZJXYUSK-QZTJIDSGSA-N 1 2 337.467 3.549 20 0 EHADLO C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000129273720 1137816117 /nfs/dbraw/zinc/81/61/17/1137816117.db2.gz WMADIHFHGJZWSY-INIZCTEOSA-N 1 2 341.455 3.616 20 0 EHADLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000888903995 1137819981 /nfs/dbraw/zinc/81/99/81/1137819981.db2.gz GSCCNHFVLYAROJ-CEXWTWQISA-N 1 2 337.467 3.678 20 0 EHADLO O=C(CCCc1ccsc1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872588 1137836369 /nfs/dbraw/zinc/83/63/69/1137836369.db2.gz IIODXWHWGQSYIX-GOSISDBHSA-N 1 2 339.464 3.825 20 0 EHADLO Cn1nc2c(c1C[NH2+][C@@H](c1ccco1)c1ccccc1)CSCC2 ZINC000882880837 1137836628 /nfs/dbraw/zinc/83/66/28/1137836628.db2.gz LALUAVHHRZYKKQ-LJQANCHMSA-N 1 2 339.464 3.682 20 0 EHADLO c1ccc(CCn2c3ccccc3[nH+]c2NC[C@@H]2CCCOC2)nc1 ZINC000883217978 1137849192 /nfs/dbraw/zinc/84/91/92/1137849192.db2.gz RZKJUTZJQYFDRF-INIZCTEOSA-N 1 2 336.439 3.513 20 0 EHADLO Cc1c[nH]c(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)n1 ZINC000883302799 1137853551 /nfs/dbraw/zinc/85/35/51/1137853551.db2.gz HLBMDSDEEVHADX-UHFFFAOYSA-N 1 2 340.652 3.913 20 0 EHADLO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883313532 1137854162 /nfs/dbraw/zinc/85/41/62/1137854162.db2.gz GLSDCNYLSQTOEW-HNNXBMFYSA-N 1 2 344.256 3.895 20 0 EHADLO COc1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC[C@H]1F)OCO2 ZINC000883382941 1137858511 /nfs/dbraw/zinc/85/85/11/1137858511.db2.gz QMDLKRQSSHMMRR-DNVCBOLYSA-N 1 2 329.371 3.539 20 0 EHADLO Cc1cccc2ncc(C[N@@H+](C)Cc3ncccc3C(F)(F)F)n21 ZINC001137192681 1137865252 /nfs/dbraw/zinc/86/52/52/1137865252.db2.gz QZBUZJWXPKFNEH-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1cccc2ncc(C[N@H+](C)Cc3ncccc3C(F)(F)F)n21 ZINC001137192681 1137865253 /nfs/dbraw/zinc/86/52/53/1137865253.db2.gz QZBUZJWXPKFNEH-UHFFFAOYSA-N 1 2 334.345 3.689 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c[nH+]1 ZINC000883683749 1137867072 /nfs/dbraw/zinc/86/70/72/1137867072.db2.gz KGINUDQDVQZMEN-ROUUACIJSA-N 1 2 327.403 3.523 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c[nH+]1 ZINC000883683750 1137867115 /nfs/dbraw/zinc/86/71/15/1137867115.db2.gz KGINUDQDVQZMEN-ZWKOTPCHSA-N 1 2 327.403 3.523 20 0 EHADLO COc1cccc(NC(=O)C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000626178338 1137867277 /nfs/dbraw/zinc/86/72/77/1137867277.db2.gz QKWWRSDDYASUJS-UHFFFAOYSA-N 1 2 346.377 3.581 20 0 EHADLO Cn1cc(-c2cc(C[NH2+]C3(c4c(F)cccc4F)CCC3)on2)cn1 ZINC000626178996 1137867864 /nfs/dbraw/zinc/86/78/64/1137867864.db2.gz RGVPSXZDHURMTD-UHFFFAOYSA-N 1 2 344.365 3.522 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC000828001643 1137868785 /nfs/dbraw/zinc/86/87/85/1137868785.db2.gz JWIUWJGFZVZCLJ-HXUWFJFHSA-N 1 2 337.467 3.887 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC(n4cc[nH+]c4)CC3)csc2C1 ZINC000101863540 1137871902 /nfs/dbraw/zinc/87/19/02/1137871902.db2.gz BGYZJHBBDXMZBF-CYBMUJFWSA-N 1 2 329.469 3.547 20 0 EHADLO CCSc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000883827552 1137873076 /nfs/dbraw/zinc/87/30/76/1137873076.db2.gz AXYKWOJGCSTUJK-OAHLLOKOSA-N 1 2 344.484 3.611 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000106876755 1137884837 /nfs/dbraw/zinc/88/48/37/1137884837.db2.gz INDNDGODTJJVEL-CYBMUJFWSA-N 1 2 349.475 3.517 20 0 EHADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000106876755 1137884838 /nfs/dbraw/zinc/88/48/38/1137884838.db2.gz INDNDGODTJJVEL-CYBMUJFWSA-N 1 2 349.475 3.517 20 0 EHADLO Cc1cccc([C@@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348266757 1137889110 /nfs/dbraw/zinc/88/91/10/1137889110.db2.gz KHUCIHAJQPUNEN-QGZVFWFLSA-N 1 2 333.435 3.660 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000108394354 1137889616 /nfs/dbraw/zinc/88/96/16/1137889616.db2.gz XYWXTARZNQYPFY-DOTOQJQBSA-N 1 2 348.487 3.686 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000108394354 1137889617 /nfs/dbraw/zinc/88/96/17/1137889617.db2.gz XYWXTARZNQYPFY-DOTOQJQBSA-N 1 2 348.487 3.686 20 0 EHADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)o2)n(C(C)(C)C)n1 ZINC000331388837 1137892662 /nfs/dbraw/zinc/89/26/62/1137892662.db2.gz IXCASHZSGFIMCN-HNNXBMFYSA-N 1 2 344.459 3.624 20 0 EHADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)o2)n(C(C)(C)C)n1 ZINC000331388837 1137892663 /nfs/dbraw/zinc/89/26/63/1137892663.db2.gz IXCASHZSGFIMCN-HNNXBMFYSA-N 1 2 344.459 3.624 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)cc(C)c1OCC(F)(F)F ZINC000109832402 1137897822 /nfs/dbraw/zinc/89/78/22/1137897822.db2.gz BJOUVCJFCZTFHP-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)cc(C)c1OCC(F)(F)F ZINC000109832402 1137897823 /nfs/dbraw/zinc/89/78/23/1137897823.db2.gz BJOUVCJFCZTFHP-UHFFFAOYSA-N 1 2 327.350 3.600 20 0 EHADLO C/C(=C\C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000800103672 1137897843 /nfs/dbraw/zinc/89/78/43/1137897843.db2.gz VBFFRODYCKIURT-STTHAQSSSA-N 1 2 329.488 3.918 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348286551 1137898848 /nfs/dbraw/zinc/89/88/48/1137898848.db2.gz SBTBJOMWWNLWFM-CKYFFXLPSA-N 1 2 325.334 3.669 20 0 EHADLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348286551 1137898849 /nfs/dbraw/zinc/89/88/49/1137898849.db2.gz SBTBJOMWWNLWFM-CKYFFXLPSA-N 1 2 325.334 3.669 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(C)n1C1CC1 ZINC000348287767 1137900306 /nfs/dbraw/zinc/90/03/06/1137900306.db2.gz WBHDRXDTHDLLIB-SWLSCSKDSA-N 1 2 328.378 3.895 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(C)n1C1CC1 ZINC000348287767 1137900307 /nfs/dbraw/zinc/90/03/07/1137900307.db2.gz WBHDRXDTHDLLIB-SWLSCSKDSA-N 1 2 328.378 3.895 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111727705 1137905365 /nfs/dbraw/zinc/90/53/65/1137905365.db2.gz FNBZNASUQFGFCH-ZACQAIPSSA-N 1 2 347.503 3.806 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111727705 1137905366 /nfs/dbraw/zinc/90/53/66/1137905366.db2.gz FNBZNASUQFGFCH-ZACQAIPSSA-N 1 2 347.503 3.806 20 0 EHADLO CC(C)OCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111737590 1137905469 /nfs/dbraw/zinc/90/54/69/1137905469.db2.gz ABWPRLDLBLGIRB-UHFFFAOYSA-N 1 2 342.443 3.677 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)s1 ZINC000331425872 1137907866 /nfs/dbraw/zinc/90/78/66/1137907866.db2.gz RWYFKQKVNODSDN-JTQLQIEISA-N 1 2 338.864 3.775 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)s1 ZINC000331425872 1137907867 /nfs/dbraw/zinc/90/78/67/1137907867.db2.gz RWYFKQKVNODSDN-JTQLQIEISA-N 1 2 338.864 3.775 20 0 EHADLO CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000331690577 1137917235 /nfs/dbraw/zinc/91/72/35/1137917235.db2.gz WTTQZAZQAZLACS-CJNGLKHVSA-N 1 2 333.819 3.525 20 0 EHADLO CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000114427913 1137917386 /nfs/dbraw/zinc/91/73/86/1137917386.db2.gz AZBZCRLJNZDKOA-UHFFFAOYSA-N 1 2 339.464 3.701 20 0 EHADLO Cc1c(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)oc2ccccc12 ZINC000115600640 1137922386 /nfs/dbraw/zinc/92/23/86/1137922386.db2.gz BWRORGFUGVRKDK-FQEVSTJZSA-N 1 2 334.419 3.851 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918222 1137925448 /nfs/dbraw/zinc/92/54/48/1137925448.db2.gz NXAKQJOQLCRRDL-BBRMVZONSA-N 1 2 331.412 3.777 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918222 1137925449 /nfs/dbraw/zinc/92/54/49/1137925449.db2.gz NXAKQJOQLCRRDL-BBRMVZONSA-N 1 2 331.412 3.777 20 0 EHADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000118052144 1137932027 /nfs/dbraw/zinc/93/20/27/1137932027.db2.gz MMGFBLAXCBJDAO-LLVKDONJSA-N 1 2 341.242 3.640 20 0 EHADLO Cc1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc[nH+]1 ZINC000119970144 1137945711 /nfs/dbraw/zinc/94/57/11/1137945711.db2.gz FSEGCAUBJZETJI-UHFFFAOYSA-N 1 2 341.411 3.918 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)[nH+]1 ZINC000333067673 1137954381 /nfs/dbraw/zinc/95/43/81/1137954381.db2.gz OEDGJFNIXKRVSM-OAHLLOKOSA-N 1 2 331.441 3.674 20 0 EHADLO Fc1ccc(C[C@@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000121339475 1137957034 /nfs/dbraw/zinc/95/70/34/1137957034.db2.gz QQIDBGCKWZZKEZ-AWEZNQCLSA-N 1 2 341.352 3.649 20 0 EHADLO Fc1ccc(C[C@@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000121339475 1137957035 /nfs/dbraw/zinc/95/70/35/1137957035.db2.gz QQIDBGCKWZZKEZ-AWEZNQCLSA-N 1 2 341.352 3.649 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC(C)(C)C1 ZINC000333215777 1137958365 /nfs/dbraw/zinc/95/83/65/1137958365.db2.gz DMQWJFZEEORGFJ-CBZIJGRNSA-N 1 2 347.503 3.609 20 0 EHADLO CC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc2ccccc21 ZINC000884407297 1137959415 /nfs/dbraw/zinc/95/94/15/1137959415.db2.gz YUSGZTHELIQMOL-LJQANCHMSA-N 1 2 336.439 3.566 20 0 EHADLO C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1cnn(C)c1 ZINC000348329439 1137964596 /nfs/dbraw/zinc/96/45/96/1137964596.db2.gz YJQPWWKYRFGOED-AWEZNQCLSA-N 1 2 326.469 3.513 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ncsc1C1CC1 ZINC000885147274 1137985081 /nfs/dbraw/zinc/98/50/81/1137985081.db2.gz ZVTFCEUYLNXKSR-UHFFFAOYSA-N 1 2 339.420 3.872 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000885242875 1137991362 /nfs/dbraw/zinc/99/13/62/1137991362.db2.gz RPIACWSHXIUXSL-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000885242875 1137991364 /nfs/dbraw/zinc/99/13/64/1137991364.db2.gz RPIACWSHXIUXSL-MRXNPFEDSA-N 1 2 337.876 3.681 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)/C=C/c2cccc(F)c2)[nH+]1 ZINC000136111030 1138019176 /nfs/dbraw/zinc/01/91/76/1138019176.db2.gz QFDQSGZYLCZRFT-ZHACJKMWSA-N 1 2 343.398 3.735 20 0 EHADLO COc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c(F)c1OC ZINC000885992200 1138031028 /nfs/dbraw/zinc/03/10/28/1138031028.db2.gz CKROKFHBVYOZKE-UHFFFAOYSA-N 1 2 338.448 3.941 20 0 EHADLO CCN(C(=O)NCCCn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000055085928 1138053208 /nfs/dbraw/zinc/05/32/08/1138053208.db2.gz DYHALXNUBVOUOR-OAHLLOKOSA-N 1 2 340.427 3.812 20 0 EHADLO Cc1n[nH]c(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1C ZINC000886185766 1138056896 /nfs/dbraw/zinc/05/68/96/1138056896.db2.gz HBYCPGJKGQUAJJ-UHFFFAOYSA-N 1 2 346.438 3.626 20 0 EHADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890265190 1138069683 /nfs/dbraw/zinc/06/96/83/1138069683.db2.gz NGACMDPBQPOBKJ-NEWSRXKRSA-N 1 2 340.471 3.845 20 0 EHADLO CC(=O)N(c1nc(C[NH2+][C@H]2CCc3c2cccc3F)cs1)C1CC1 ZINC000886363016 1138070899 /nfs/dbraw/zinc/07/08/99/1138070899.db2.gz XKERKWUHXTYOLI-KRWDZBQOSA-N 1 2 345.443 3.575 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCCCCCC1 ZINC000890266679 1138070953 /nfs/dbraw/zinc/07/09/53/1138070953.db2.gz XMGQUVCXBRIPOQ-SFHVURJKSA-N 1 2 326.444 3.600 20 0 EHADLO FC(F)(F)[C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)CCO1 ZINC000348383956 1138078881 /nfs/dbraw/zinc/07/88/81/1138078881.db2.gz UTRCQQOKIMYQLF-JSGCOSHPSA-N 1 2 329.366 3.594 20 0 EHADLO CCSCC[C@H](C)[N@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000072900670 1138108933 /nfs/dbraw/zinc/10/89/33/1138108933.db2.gz NRYBCUBCSPTWAM-LBPRGKRZSA-N 1 2 341.546 3.622 20 0 EHADLO CCSCC[C@H](C)[N@@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000072900670 1138108935 /nfs/dbraw/zinc/10/89/35/1138108935.db2.gz NRYBCUBCSPTWAM-LBPRGKRZSA-N 1 2 341.546 3.622 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000886720160 1138125154 /nfs/dbraw/zinc/12/51/54/1138125154.db2.gz VDUWLFFSKCYYTM-UHFFFAOYSA-N 1 2 346.402 3.644 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@@H](c2ccc(C)cc2)C2CCCC2)n1 ZINC000886757464 1138132858 /nfs/dbraw/zinc/13/28/58/1138132858.db2.gz HVQAYWNSCIBNJJ-GOSISDBHSA-N 1 2 330.501 3.997 20 0 EHADLO CSCc1nnc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCCC2)[nH]1 ZINC000886757464 1138132859 /nfs/dbraw/zinc/13/28/59/1138132859.db2.gz HVQAYWNSCIBNJJ-GOSISDBHSA-N 1 2 330.501 3.997 20 0 EHADLO CSCc1n[nH]c(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000886757439 1138133032 /nfs/dbraw/zinc/13/30/32/1138133032.db2.gz HDUOAEDXVZWDTN-OAHLLOKOSA-N 1 2 330.501 3.861 20 0 EHADLO CSCc1nnc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000886757439 1138133033 /nfs/dbraw/zinc/13/30/33/1138133033.db2.gz HDUOAEDXVZWDTN-OAHLLOKOSA-N 1 2 330.501 3.861 20 0 EHADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000886969229 1138176920 /nfs/dbraw/zinc/17/69/20/1138176920.db2.gz UCECMIFLADZNCF-XYPHTWIQSA-N 1 2 339.863 3.534 20 0 EHADLO CC[C@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000084166724 1138178670 /nfs/dbraw/zinc/17/86/70/1138178670.db2.gz AAEKCSBHSCZVAO-HNNXBMFYSA-N 1 2 339.361 3.602 20 0 EHADLO CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000084755207 1138182195 /nfs/dbraw/zinc/18/21/95/1138182195.db2.gz UUGACBWPCOKZLM-UHFFFAOYSA-N 1 2 345.874 3.969 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(OC(C)(C)C)c1 ZINC000084926085 1138182775 /nfs/dbraw/zinc/18/27/75/1138182775.db2.gz XDMGMZGRROQNRU-SFHVURJKSA-N 1 2 344.430 3.628 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cnccc1Cl ZINC001137236561 1138184160 /nfs/dbraw/zinc/18/41/60/1138184160.db2.gz HGZBMFUGEKVGGZ-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cnccc1Cl ZINC001137236561 1138184162 /nfs/dbraw/zinc/18/41/62/1138184162.db2.gz HGZBMFUGEKVGGZ-TZMCWYRMSA-N 1 2 339.867 3.613 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccco1 ZINC000090534255 1138211467 /nfs/dbraw/zinc/21/14/67/1138211467.db2.gz STHKMSQOUWLENN-JXFKEZNVSA-N 1 2 337.423 3.778 20 0 EHADLO COC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000091413854 1138219177 /nfs/dbraw/zinc/21/91/77/1138219177.db2.gz NIKDOHQHBFVXQM-PXAZEXFGSA-N 1 2 345.393 3.890 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000826543293 1138236423 /nfs/dbraw/zinc/23/64/23/1138236423.db2.gz NLWVTEAZVNUXHP-IIBYNOLFSA-N 1 2 343.515 3.664 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768694 1138240800 /nfs/dbraw/zinc/24/08/00/1138240800.db2.gz LNWDUNQDBOPAFG-LJQANCHMSA-N 1 2 347.480 3.737 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768694 1138240803 /nfs/dbraw/zinc/24/08/03/1138240803.db2.gz LNWDUNQDBOPAFG-LJQANCHMSA-N 1 2 347.480 3.737 20 0 EHADLO COCCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769024 1138240821 /nfs/dbraw/zinc/24/08/21/1138240821.db2.gz FQPOZBLQFNZELY-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO COCCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000093769024 1138240823 /nfs/dbraw/zinc/24/08/23/1138240823.db2.gz FQPOZBLQFNZELY-HNAYVOBHSA-N 1 2 347.480 3.735 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3cccs3)CCO2)c1 ZINC000093865390 1138242184 /nfs/dbraw/zinc/24/21/84/1138242184.db2.gz ZRARGXCBSKIUKI-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)c1 ZINC000093865390 1138242186 /nfs/dbraw/zinc/24/21/86/1138242186.db2.gz ZRARGXCBSKIUKI-HNNXBMFYSA-N 1 2 325.380 3.923 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC001202748303 1138266260 /nfs/dbraw/zinc/26/62/60/1138266260.db2.gz ZKOBPEJZRALALW-KRWDZBQOSA-N 1 2 325.412 3.774 20 0 EHADLO Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000123310885 1138268824 /nfs/dbraw/zinc/26/88/24/1138268824.db2.gz ILORAZMSJYYBRG-AUUYWEPGSA-N 1 2 336.439 3.705 20 0 EHADLO Cc1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)nn1-c1ccccc1 ZINC001202748498 1138269499 /nfs/dbraw/zinc/26/94/99/1138269499.db2.gz WGRLUUBUIIYECD-UHFFFAOYSA-N 1 2 335.411 3.514 20 0 EHADLO C[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124128296 1138279854 /nfs/dbraw/zinc/27/98/54/1138279854.db2.gz BOGZCSQJDWDHQL-QAPCUYQASA-N 1 2 341.455 3.784 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125332844 1138306170 /nfs/dbraw/zinc/30/61/70/1138306170.db2.gz RMTLVHMRZHBWQT-IHPCNDPISA-N 1 2 339.483 3.808 20 0 EHADLO C/C(=C/c1ccccc1Cl)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125351004 1138306330 /nfs/dbraw/zinc/30/63/30/1138306330.db2.gz WCGSISRIWOGHDX-OWBHPGMISA-N 1 2 329.831 3.804 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000126032282 1138321936 /nfs/dbraw/zinc/32/19/36/1138321936.db2.gz MENWKSKILDOERV-SCLBCKFNSA-N 1 2 336.439 3.705 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263658387 1138337535 /nfs/dbraw/zinc/33/75/35/1138337535.db2.gz DCYPRMKGPYLUAB-OXJNMPFZSA-N 1 2 338.451 3.568 20 0 EHADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263658387 1138337539 /nfs/dbraw/zinc/33/75/39/1138337539.db2.gz DCYPRMKGPYLUAB-OXJNMPFZSA-N 1 2 338.451 3.568 20 0 EHADLO CSc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000127092493 1138346367 /nfs/dbraw/zinc/34/63/67/1138346367.db2.gz PNULRBQDJBYVOM-CJNGLKHVSA-N 1 2 330.457 3.720 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127113313 1138347136 /nfs/dbraw/zinc/34/71/36/1138347136.db2.gz WJJPBWIAPBUHQH-DOMZBBRYSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127300803 1138352895 /nfs/dbraw/zinc/35/28/95/1138352895.db2.gz RIBWCGVIHVFQCS-JKSUJKDBSA-N 1 2 336.407 3.510 20 0 EHADLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127300803 1138352899 /nfs/dbraw/zinc/35/28/99/1138352899.db2.gz RIBWCGVIHVFQCS-JKSUJKDBSA-N 1 2 336.407 3.510 20 0 EHADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127511883 1138360797 /nfs/dbraw/zinc/36/07/97/1138360797.db2.gz DRPMYXAAFWPSIP-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127511883 1138360800 /nfs/dbraw/zinc/36/08/00/1138360800.db2.gz DRPMYXAAFWPSIP-GFCCVEGCSA-N 1 2 337.345 3.732 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000263785130 1138364972 /nfs/dbraw/zinc/36/49/72/1138364972.db2.gz WQAUNPDXANPCJJ-ZDUSSCGKSA-N 1 2 332.473 3.984 20 0 EHADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000263787231 1138366060 /nfs/dbraw/zinc/36/60/60/1138366060.db2.gz PUHAOZMHXSXGJU-UHFFFAOYSA-N 1 2 339.226 3.848 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc2[nH+]1 ZINC000263792512 1138366922 /nfs/dbraw/zinc/36/69/22/1138366922.db2.gz IPOBQDKVWIZZGG-VXGBXAGGSA-N 1 2 325.334 3.950 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000127734281 1138368708 /nfs/dbraw/zinc/36/87/08/1138368708.db2.gz OPUBEBQYEVYENH-OCCSQVGLSA-N 1 2 341.440 3.608 20 0 EHADLO O=C(NCc1cc2ccccc2s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263943497 1138396009 /nfs/dbraw/zinc/39/60/09/1138396009.db2.gz IDMZAEQDUPXFFY-AWEZNQCLSA-N 1 2 340.452 3.714 20 0 EHADLO OCCSCc1cc[nH+]c(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000128863199 1138399828 /nfs/dbraw/zinc/39/98/28/1138399828.db2.gz XPBFWZUSHZQITH-STQMWFEESA-N 1 2 334.407 3.840 20 0 EHADLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000264122336 1138423806 /nfs/dbraw/zinc/42/38/06/1138423806.db2.gz XICUIYLRBNIBDJ-ZDUSSCGKSA-N 1 2 331.847 3.747 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Oc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000264127563 1138424498 /nfs/dbraw/zinc/42/44/98/1138424498.db2.gz GBXPFOXFBCWGJS-IBGZPJMESA-N 1 2 340.423 3.634 20 0 EHADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccs1 ZINC000129906773 1138427092 /nfs/dbraw/zinc/42/70/92/1138427092.db2.gz VEUSSMFWLAACSV-KBPBESRZSA-N 1 2 334.510 3.819 20 0 EHADLO CC(C)[N@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(F)c1 ZINC000264147521 1138429093 /nfs/dbraw/zinc/42/90/93/1138429093.db2.gz ZJPDPGMKZOYOLU-UHFFFAOYSA-N 1 2 329.341 3.995 20 0 EHADLO CC(C)[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(F)c1 ZINC000264147521 1138429096 /nfs/dbraw/zinc/42/90/96/1138429096.db2.gz ZJPDPGMKZOYOLU-UHFFFAOYSA-N 1 2 329.341 3.995 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccccc1Cl ZINC000336975317 1138439423 /nfs/dbraw/zinc/43/94/23/1138439423.db2.gz VGIXOYMLNZWBFZ-LLVKDONJSA-N 1 2 341.835 3.733 20 0 EHADLO CCCc1occc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000336998670 1138444595 /nfs/dbraw/zinc/44/45/95/1138444595.db2.gz QNPSPAJUOFSNET-UHFFFAOYSA-N 1 2 341.455 3.938 20 0 EHADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCSc2ccccc21 ZINC000337063364 1138458959 /nfs/dbraw/zinc/45/89/59/1138458959.db2.gz ISLSKPXICIIUIP-UHFFFAOYSA-N 1 2 335.432 3.684 20 0 EHADLO CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337064977 1138459637 /nfs/dbraw/zinc/45/96/37/1138459637.db2.gz ZNKOGLKEEBBOGJ-XHSDSOJGSA-N 1 2 332.492 3.543 20 0 EHADLO CC1(c2ccccc2)CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000337080080 1138462077 /nfs/dbraw/zinc/46/20/77/1138462077.db2.gz VEDHIGALXLPGCQ-UHFFFAOYSA-N 1 2 331.419 3.722 20 0 EHADLO C[C@H](CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)n1cc[nH+]c1 ZINC000887578625 1138468965 /nfs/dbraw/zinc/46/89/65/1138468965.db2.gz AWUAVKOHZMFSNE-AEFFLSMTSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)CC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000337151263 1138480413 /nfs/dbraw/zinc/48/04/13/1138480413.db2.gz LNGLMONGJQIGSR-INIZCTEOSA-N 1 2 329.488 3.752 20 0 EHADLO Fc1ccccc1[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000264354732 1138485422 /nfs/dbraw/zinc/48/54/22/1138485422.db2.gz DHIPDESKLFLMBR-LBPRGKRZSA-N 1 2 329.400 3.927 20 0 EHADLO Fc1ccccc1[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000264354732 1138485423 /nfs/dbraw/zinc/48/54/23/1138485423.db2.gz DHIPDESKLFLMBR-LBPRGKRZSA-N 1 2 329.400 3.927 20 0 EHADLO CCC(CC)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000131007750 1138489575 /nfs/dbraw/zinc/48/95/75/1138489575.db2.gz RSRSHGAZHAEQLT-ROUUACIJSA-N 1 2 326.444 3.600 20 0 EHADLO OC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1cccc(Cl)c1F ZINC000337201789 1138494395 /nfs/dbraw/zinc/49/43/95/1138494395.db2.gz DLMXJKJYVBYQEM-CYBMUJFWSA-N 1 2 348.727 3.716 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccnn2C(C)C)C3)cc1 ZINC000337207865 1138495243 /nfs/dbraw/zinc/49/52/43/1138495243.db2.gz PKRJAUCOHNSDEX-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccnn2C(C)C)C3)cc1 ZINC000337207865 1138495245 /nfs/dbraw/zinc/49/52/45/1138495245.db2.gz PKRJAUCOHNSDEX-UHFFFAOYSA-N 1 2 335.455 3.516 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3cccc(OC(F)F)c3)cc2[nH+]1 ZINC000337207474 1138495470 /nfs/dbraw/zinc/49/54/70/1138495470.db2.gz ORAWCDALZTWRNG-UHFFFAOYSA-N 1 2 331.322 3.654 20 0 EHADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000264425503 1138511067 /nfs/dbraw/zinc/51/10/67/1138511067.db2.gz ZVIZHKRVQRYGJU-QWHCGFSZSA-N 1 2 328.441 3.547 20 0 EHADLO Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337318160 1138530830 /nfs/dbraw/zinc/53/08/30/1138530830.db2.gz GAQVFEOFROEMQY-OAQYLSRUSA-N 1 2 349.409 3.892 20 0 EHADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000264493155 1138535308 /nfs/dbraw/zinc/53/53/08/1138535308.db2.gz DNLOHZBBKFSVPI-MRXNPFEDSA-N 1 2 340.471 3.547 20 0 EHADLO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000264524408 1138546844 /nfs/dbraw/zinc/54/68/44/1138546844.db2.gz HGMULVXQFCONPH-KRWDZBQOSA-N 1 2 347.846 3.546 20 0 EHADLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000264562760 1138559434 /nfs/dbraw/zinc/55/94/34/1138559434.db2.gz YELJRECWLUCJLK-OAHLLOKOSA-N 1 2 326.444 3.677 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nn1C ZINC000337457381 1138574786 /nfs/dbraw/zinc/57/47/86/1138574786.db2.gz JMHTUFGXHLNTIK-INIZCTEOSA-N 1 2 337.471 3.888 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1cccc(Cl)c1 ZINC000264641855 1138588651 /nfs/dbraw/zinc/58/86/51/1138588651.db2.gz MVVRDDJUOKSLMV-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1cccc(Cl)c1 ZINC000264641855 1138588652 /nfs/dbraw/zinc/58/86/52/1138588652.db2.gz MVVRDDJUOKSLMV-ZIAGYGMSSA-N 1 2 346.862 3.512 20 0 EHADLO Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000337516119 1138592466 /nfs/dbraw/zinc/59/24/66/1138592466.db2.gz QGESARDODFGMHB-UHFFFAOYSA-N 1 2 334.423 3.870 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000337550054 1138602501 /nfs/dbraw/zinc/60/25/01/1138602501.db2.gz FVPLSZVNPVBZMQ-CQSZACIVSA-N 1 2 327.419 3.510 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000337550053 1138602578 /nfs/dbraw/zinc/60/25/78/1138602578.db2.gz FVPLSZVNPVBZMQ-AWEZNQCLSA-N 1 2 327.419 3.510 20 0 EHADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000132799368 1138603333 /nfs/dbraw/zinc/60/33/33/1138603333.db2.gz JSECCXDOCZUJTA-CQSZACIVSA-N 1 2 329.469 3.871 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132874029 1138608154 /nfs/dbraw/zinc/60/81/54/1138608154.db2.gz XGFILOBCDCBEQJ-UHFFFAOYSA-N 1 2 328.481 3.870 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132874029 1138608156 /nfs/dbraw/zinc/60/81/56/1138608156.db2.gz XGFILOBCDCBEQJ-UHFFFAOYSA-N 1 2 328.481 3.870 20 0 EHADLO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264696244 1138608250 /nfs/dbraw/zinc/60/82/50/1138608250.db2.gz FUVUKXGHPIYBDL-CYBMUJFWSA-N 1 2 346.406 3.748 20 0 EHADLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000337603637 1138618401 /nfs/dbraw/zinc/61/84/01/1138618401.db2.gz POGWAQSUWRVTOX-OAQYLSRUSA-N 1 2 331.419 3.854 20 0 EHADLO O=C(c1ccc2ccccc2c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337606848 1138619459 /nfs/dbraw/zinc/61/94/59/1138619459.db2.gz VMMGSRWSBSYVFD-FQEVSTJZSA-N 1 2 334.394 3.766 20 0 EHADLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264783982 1138638523 /nfs/dbraw/zinc/63/85/23/1138638523.db2.gz QCZLXPQVKABBTH-FGTMMUONSA-N 1 2 338.455 3.635 20 0 EHADLO O=C(NCc1ccc(F)c(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337678821 1138641468 /nfs/dbraw/zinc/64/14/68/1138641468.db2.gz GXKVKMDKPLNCIU-UHFFFAOYSA-N 1 2 343.789 3.654 20 0 EHADLO FC(F)(F)c1cc(C[NH2+]Cc2ccsc2Br)[nH]n1 ZINC000337820723 1138675908 /nfs/dbraw/zinc/67/59/08/1138675908.db2.gz QPGHWRPDCVLPGY-UHFFFAOYSA-N 1 2 340.168 3.542 20 0 EHADLO CCS[C@H]1CCCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000264959437 1138687392 /nfs/dbraw/zinc/68/73/92/1138687392.db2.gz XCEOHCDCMQIHHF-SFHVURJKSA-N 1 2 343.496 3.679 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)Cc3cccc(Br)c3)cc2[nH+]1 ZINC000338011282 1138723311 /nfs/dbraw/zinc/72/33/11/1138723311.db2.gz YFGCIYKNOBRNJD-UHFFFAOYSA-N 1 2 344.212 3.815 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000338054612 1138735419 /nfs/dbraw/zinc/73/54/19/1138735419.db2.gz GRZYHZXNIKSTKC-UHFFFAOYSA-N 1 2 349.369 3.594 20 0 EHADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000338058801 1138736328 /nfs/dbraw/zinc/73/63/28/1138736328.db2.gz WJUNKZNGAVIUHN-KRWDZBQOSA-N 1 2 349.434 3.730 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2coc3ccccc23)cs1 ZINC000265151833 1138746819 /nfs/dbraw/zinc/74/68/19/1138746819.db2.gz BMQQGMZNBIILBB-UHFFFAOYSA-N 1 2 329.425 3.552 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000338269916 1138809390 /nfs/dbraw/zinc/80/93/90/1138809390.db2.gz IJDPGUOOLMTDQE-UHFFFAOYSA-N 1 2 326.444 3.642 20 0 EHADLO CC[C@@H](C)NC(=O)c1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000265384653 1138843847 /nfs/dbraw/zinc/84/38/47/1138843847.db2.gz RVERYQAVEXGQLW-CYBMUJFWSA-N 1 2 338.455 3.803 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000338347847 1138846029 /nfs/dbraw/zinc/84/60/29/1138846029.db2.gz WABQWASMJNUIDG-SFHVURJKSA-N 1 2 340.398 3.703 20 0 EHADLO CC1=C(c2ccco2)C[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000338347847 1138846035 /nfs/dbraw/zinc/84/60/35/1138846035.db2.gz WABQWASMJNUIDG-SFHVURJKSA-N 1 2 340.398 3.703 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000338347844 1138846139 /nfs/dbraw/zinc/84/61/39/1138846139.db2.gz WABQWASMJNUIDG-GOSISDBHSA-N 1 2 340.398 3.703 20 0 EHADLO CC1=C(c2ccco2)C[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000338347844 1138846148 /nfs/dbraw/zinc/84/61/48/1138846148.db2.gz WABQWASMJNUIDG-GOSISDBHSA-N 1 2 340.398 3.703 20 0 EHADLO Cc1cc(N2CCC(c3noc(C(C)C)n3)CC2)nc(C2CC2)[nH+]1 ZINC000265396214 1138854170 /nfs/dbraw/zinc/85/41/70/1138854170.db2.gz WKACURKCUGBELR-UHFFFAOYSA-N 1 2 327.432 3.553 20 0 EHADLO COCC[N@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccccc1 ZINC000338364975 1138859615 /nfs/dbraw/zinc/85/96/15/1138859615.db2.gz BKNKJUVTYXGRER-UHFFFAOYSA-N 1 2 343.858 3.875 20 0 EHADLO COCC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccccc1 ZINC000338364975 1138859623 /nfs/dbraw/zinc/85/96/23/1138859623.db2.gz BKNKJUVTYXGRER-UHFFFAOYSA-N 1 2 343.858 3.875 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151682701 1139051428 /nfs/dbraw/zinc/05/14/28/1139051428.db2.gz IIRVMUBCUGHDEE-TXPKVOOTSA-N 1 2 340.471 3.799 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000152582049 1139098842 /nfs/dbraw/zinc/09/88/42/1139098842.db2.gz CZBJUEKSGDPTGQ-JFIYKMOQSA-N 1 2 326.444 3.545 20 0 EHADLO Cc1ccc(-c2ccsc2C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000153447312 1139136807 /nfs/dbraw/zinc/13/68/07/1139136807.db2.gz XKJVDNRTJHJPIR-HNNXBMFYSA-N 1 2 339.464 3.986 20 0 EHADLO C[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000153763014 1139150779 /nfs/dbraw/zinc/15/07/79/1139150779.db2.gz XBPADLAWSGYSGX-GOSISDBHSA-N 1 2 347.462 3.858 20 0 EHADLO CC(C)[C@H]1CCCN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889556604 1139232592 /nfs/dbraw/zinc/23/25/92/1139232592.db2.gz DGWSHRWZTXFHPV-BRWVUGGUSA-N 1 2 330.476 3.635 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000890058754 1139308249 /nfs/dbraw/zinc/30/82/49/1139308249.db2.gz QITNLEQTRCIBAH-UHFFFAOYSA-N 1 2 347.409 3.877 20 0 EHADLO CC1CCC(N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890265497 1139335745 /nfs/dbraw/zinc/33/57/45/1139335745.db2.gz AWUHGKWSGGIUGA-NKELODKYSA-N 1 2 340.471 3.845 20 0 EHADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013139 1139394252 /nfs/dbraw/zinc/39/42/52/1139394252.db2.gz JWMJIKXIBAPSLY-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000174013139 1139394259 /nfs/dbraw/zinc/39/42/59/1139394259.db2.gz JWMJIKXIBAPSLY-VXGBXAGGSA-N 1 2 343.452 3.865 20 0 EHADLO CCCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174033278 1139394871 /nfs/dbraw/zinc/39/48/71/1139394871.db2.gz SLSZJBTXRRWEQO-UHFFFAOYSA-N 1 2 332.492 3.520 20 0 EHADLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1C(C)(C)C ZINC001202768849 1139441152 /nfs/dbraw/zinc/44/11/52/1139441152.db2.gz NCOJZWVRDFYGRT-UHFFFAOYSA-N 1 2 330.476 3.698 20 0 EHADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175266615 1139477517 /nfs/dbraw/zinc/47/75/17/1139477517.db2.gz UJUSKICIRHTKRU-OLZOCXBDSA-N 1 2 333.457 3.528 20 0 EHADLO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000177043254 1139594249 /nfs/dbraw/zinc/59/42/49/1139594249.db2.gz RHLPKAWNJMFPRB-UHFFFAOYSA-N 1 2 334.366 3.765 20 0 EHADLO CCCN(Cc1c[nH+]cn1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177119629 1139598344 /nfs/dbraw/zinc/59/83/44/1139598344.db2.gz ZJNNXSHIRHSWGX-UHFFFAOYSA-N 1 2 345.834 3.536 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000177364831 1139615834 /nfs/dbraw/zinc/61/58/34/1139615834.db2.gz ZIPQRAUVICHVGF-GOEBONIOSA-N 1 2 338.411 3.565 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000177404462 1139618073 /nfs/dbraw/zinc/61/80/73/1139618073.db2.gz LGJNRNNHLKMZJY-GOSISDBHSA-N 1 2 346.496 3.969 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000177404462 1139618077 /nfs/dbraw/zinc/61/80/77/1139618077.db2.gz LGJNRNNHLKMZJY-GOSISDBHSA-N 1 2 346.496 3.969 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1OC1CCCC1 ZINC000178117724 1139672162 /nfs/dbraw/zinc/67/21/62/1139672162.db2.gz GQKTYKAUWURDES-UHFFFAOYSA-N 1 2 342.443 3.759 20 0 EHADLO CC(C)OCc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178188763 1139678250 /nfs/dbraw/zinc/67/82/50/1139678250.db2.gz GZNGWYQYHPXBIT-UHFFFAOYSA-N 1 2 338.411 3.581 20 0 EHADLO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)ccc1F ZINC000178254699 1139681734 /nfs/dbraw/zinc/68/17/34/1139681734.db2.gz AVFORBSSHHRFQM-LBPRGKRZSA-N 1 2 343.324 3.958 20 0 EHADLO Cc1cc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)ccc1F ZINC000178254699 1139681738 /nfs/dbraw/zinc/68/17/38/1139681738.db2.gz AVFORBSSHHRFQM-LBPRGKRZSA-N 1 2 343.324 3.958 20 0 EHADLO COc1ccc2oc([C@H](C)[NH2+]Cc3ncc(Cl)n3C)c(C)c2c1 ZINC000178449042 1139696200 /nfs/dbraw/zinc/69/62/00/1139696200.db2.gz PMBOTZIWYXFLGJ-NSHDSACASA-N 1 2 333.819 3.988 20 0 EHADLO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1F ZINC000178509266 1139700517 /nfs/dbraw/zinc/70/05/17/1139700517.db2.gz CVUCDZKNLDGHJM-SNVBAGLBSA-N 1 2 347.287 3.789 20 0 EHADLO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1F ZINC000178509266 1139700519 /nfs/dbraw/zinc/70/05/19/1139700519.db2.gz CVUCDZKNLDGHJM-SNVBAGLBSA-N 1 2 347.287 3.789 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000178515703 1139701671 /nfs/dbraw/zinc/70/16/71/1139701671.db2.gz VIVLNQGTUGRYKQ-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000178515703 1139701675 /nfs/dbraw/zinc/70/16/75/1139701675.db2.gz VIVLNQGTUGRYKQ-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)n1 ZINC000180264269 1139822238 /nfs/dbraw/zinc/82/22/38/1139822238.db2.gz IUAOCFMIATZQAN-HNNXBMFYSA-N 1 2 343.349 3.722 20 0 EHADLO CCCCc1noc([C@@H](C)[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)n1 ZINC000180635554 1139852396 /nfs/dbraw/zinc/85/23/96/1139852396.db2.gz XAPJXFPMLCHJDU-HIFRSBDPSA-N 1 2 345.443 3.985 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@H+](Cc2cccnc2)C2CC2)C2CC2)cc1 ZINC000180740867 1139860847 /nfs/dbraw/zinc/86/08/47/1139860847.db2.gz WJEIXXVSIMMZOZ-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO Cc1ccc(CN(C(=O)C[N@@H+](Cc2cccnc2)C2CC2)C2CC2)cc1 ZINC000180740867 1139860858 /nfs/dbraw/zinc/86/08/58/1139860858.db2.gz WJEIXXVSIMMZOZ-UHFFFAOYSA-N 1 2 349.478 3.546 20 0 EHADLO COCc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000181522857 1139912299 /nfs/dbraw/zinc/91/22/99/1139912299.db2.gz AJQOLKLTMYRMFL-KXBFYZLASA-N 1 2 349.434 3.925 20 0 EHADLO COCc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000181522857 1139912300 /nfs/dbraw/zinc/91/23/00/1139912300.db2.gz AJQOLKLTMYRMFL-KXBFYZLASA-N 1 2 349.434 3.925 20 0 EHADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594597 1139918081 /nfs/dbraw/zinc/91/80/81/1139918081.db2.gz AKGUMYARFAXKFV-ZDUSSCGKSA-N 1 2 346.450 3.775 20 0 EHADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000181826355 1139934253 /nfs/dbraw/zinc/93/42/53/1139934253.db2.gz OPLODRBQYZDLEG-GOSISDBHSA-N 1 2 329.444 3.637 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(N2CCCC2)c1 ZINC000181868639 1139937255 /nfs/dbraw/zinc/93/72/55/1139937255.db2.gz RDEJHWHZHMDODO-AWEZNQCLSA-N 1 2 338.411 3.781 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ncc(C(C)(C)C)o1 ZINC000181903429 1139938869 /nfs/dbraw/zinc/93/88/69/1139938869.db2.gz HBZMQGHOQPWSMA-KBPBESRZSA-N 1 2 339.443 3.965 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cccnc3Cl)C2)n1 ZINC000182824286 1139995454 /nfs/dbraw/zinc/99/54/54/1139995454.db2.gz FNHCMYXQGYICER-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3cccnc3Cl)C2)n1 ZINC000182824286 1139995460 /nfs/dbraw/zinc/99/54/60/1139995460.db2.gz FNHCMYXQGYICER-GFCCVEGCSA-N 1 2 344.768 3.787 20 0 EHADLO COC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(F)c(F)c1 ZINC000183150981 1140016239 /nfs/dbraw/zinc/01/62/39/1140016239.db2.gz FHTYYLGOBHSORK-KRWDZBQOSA-N 1 2 333.382 3.760 20 0 EHADLO CCN(CC)c1ccc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000183163111 1140016986 /nfs/dbraw/zinc/01/69/86/1140016986.db2.gz CUQUNDBOUFJHEG-LFVRLGFBSA-N 1 2 331.485 3.838 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)s1 ZINC000183929515 1140066317 /nfs/dbraw/zinc/06/63/17/1140066317.db2.gz WYYQJNOGDXAEFH-UHFFFAOYSA-N 1 2 337.876 3.877 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1C)c1ccco1 ZINC000184588582 1140110528 /nfs/dbraw/zinc/11/05/28/1140110528.db2.gz VIMRQLFMMGLDCM-SWLSCSKDSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CC)Cc2ccccc2)cs1 ZINC000184733025 1140118174 /nfs/dbraw/zinc/11/81/74/1140118174.db2.gz ZYWCEMMGNBXOMM-CABCVRRESA-N 1 2 345.512 3.793 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccc(C)o1 ZINC000184752728 1140118680 /nfs/dbraw/zinc/11/86/80/1140118680.db2.gz QPWYMQFSOKXWDB-KRWDZBQOSA-N 1 2 341.407 3.789 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000185029268 1140132568 /nfs/dbraw/zinc/13/25/68/1140132568.db2.gz RCBJAWAZQMDWOM-VIFPVBQESA-N 1 2 327.812 3.533 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cnc(Cl)s2)CC1 ZINC000185462075 1140151419 /nfs/dbraw/zinc/15/14/19/1140151419.db2.gz IYSCUBUZTOPJDJ-LLVKDONJSA-N 1 2 327.906 3.737 20 0 EHADLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000185619931 1140159321 /nfs/dbraw/zinc/15/93/21/1140159321.db2.gz DGAJDYMJFJPKCV-VQIMIIECSA-N 1 2 340.471 3.628 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC12CCCCC2 ZINC000357456411 1140164316 /nfs/dbraw/zinc/16/43/16/1140164316.db2.gz UGMOXRDBOYXRAC-OAHLLOKOSA-N 1 2 327.403 3.598 20 0 EHADLO Cc1cc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)on1 ZINC000185927311 1140177892 /nfs/dbraw/zinc/17/78/92/1140177892.db2.gz WWGUPHARFFBTEV-QGZVFWFLSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1cc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)on1 ZINC000185927311 1140177897 /nfs/dbraw/zinc/17/78/97/1140177897.db2.gz WWGUPHARFFBTEV-QGZVFWFLSA-N 1 2 341.436 3.680 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cn1 ZINC000186642553 1140214903 /nfs/dbraw/zinc/21/49/03/1140214903.db2.gz UEWJXCOHPZRYSK-LIRRHRJNSA-N 1 2 341.434 3.777 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)[C@H](C)CCSC ZINC000187006033 1140232205 /nfs/dbraw/zinc/23/22/05/1140232205.db2.gz ZCARCHQQRIJMIW-GFCCVEGCSA-N 1 2 349.949 3.707 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)[C@H](C)CCSC ZINC000187006033 1140232209 /nfs/dbraw/zinc/23/22/09/1140232209.db2.gz ZCARCHQQRIJMIW-GFCCVEGCSA-N 1 2 349.949 3.707 20 0 EHADLO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000189584065 1140352905 /nfs/dbraw/zinc/35/29/05/1140352905.db2.gz IVMONZQLJRNZRD-AWEZNQCLSA-N 1 2 337.826 3.949 20 0 EHADLO CCCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000189984233 1140377238 /nfs/dbraw/zinc/37/72/38/1140377238.db2.gz DSNDIHXSVBGEPX-INIZCTEOSA-N 1 2 347.503 3.605 20 0 EHADLO Cc1nnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190356593 1140400543 /nfs/dbraw/zinc/40/05/43/1140400543.db2.gz MQDWYCRCVOUJDZ-VIFPVBQESA-N 1 2 330.215 3.584 20 0 EHADLO Cc1nnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190356593 1140400547 /nfs/dbraw/zinc/40/05/47/1140400547.db2.gz MQDWYCRCVOUJDZ-VIFPVBQESA-N 1 2 330.215 3.584 20 0 EHADLO COc1cc(C[N@H+](Cc2nccn2-c2ccccc2)C2CC2)ccc1O ZINC000191510901 1140469095 /nfs/dbraw/zinc/46/90/95/1140469095.db2.gz CVDUNRKYQMQZDA-UHFFFAOYSA-N 1 2 349.434 3.751 20 0 EHADLO COc1cc(C[N@@H+](Cc2nccn2-c2ccccc2)C2CC2)ccc1O ZINC000191510901 1140469098 /nfs/dbraw/zinc/46/90/98/1140469098.db2.gz CVDUNRKYQMQZDA-UHFFFAOYSA-N 1 2 349.434 3.751 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2ccncc2)CC1 ZINC000191633817 1140476646 /nfs/dbraw/zinc/47/66/46/1140476646.db2.gz UTXFWCTWWUKRSO-AWEZNQCLSA-N 1 2 343.858 3.942 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192082837 1140502047 /nfs/dbraw/zinc/50/20/47/1140502047.db2.gz NSMAKBUGKBIBRS-ZDBHGNHJSA-N 1 2 339.798 3.605 20 0 EHADLO Cc1cc(OCC(=O)N2CCc3sccc3C2)c2ccccc2[nH+]1 ZINC000192193738 1140509119 /nfs/dbraw/zinc/50/91/19/1140509119.db2.gz FNEGBEHUDZWUAR-UHFFFAOYSA-N 1 2 338.432 3.568 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000192253693 1140515191 /nfs/dbraw/zinc/51/51/91/1140515191.db2.gz QQHMYSOZPNFHLW-UHFFFAOYSA-N 1 2 338.455 3.788 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccccc1 ZINC000192253354 1140515621 /nfs/dbraw/zinc/51/56/21/1140515621.db2.gz NEDVVPVOHMRPEY-MRXNPFEDSA-N 1 2 328.460 3.628 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Cl)cc1C ZINC000192261563 1140516930 /nfs/dbraw/zinc/51/69/30/1140516930.db2.gz KUGHSUASUGRCEW-UHFFFAOYSA-N 1 2 333.863 3.960 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)c3nc(C)cc(=O)[nH]3)c(C)c2c1 ZINC000192781047 1140550517 /nfs/dbraw/zinc/55/05/17/1140550517.db2.gz CKXHERUDDWFNHK-CHWSQXEVSA-N 1 2 341.411 3.966 20 0 EHADLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(Cl)c2ccccc21 ZINC000192802774 1140551508 /nfs/dbraw/zinc/55/15/08/1140551508.db2.gz WHQBBSQXQQTACX-NSHDSACASA-N 1 2 330.819 3.793 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000192864242 1140554268 /nfs/dbraw/zinc/55/42/68/1140554268.db2.gz POEDMNHCTIMJLZ-UHFFFAOYSA-N 1 2 345.874 3.634 20 0 EHADLO Nc1cc(CSc2nnc(-c3cccs3)n2C2CC2)cc[nH+]1 ZINC000193075493 1140561737 /nfs/dbraw/zinc/56/17/37/1140561737.db2.gz UGYAQGCTRZWMOW-UHFFFAOYSA-N 1 2 329.454 3.611 20 0 EHADLO COc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000194422052 1140608866 /nfs/dbraw/zinc/60/88/66/1140608866.db2.gz XXRLLWASSKDNNO-IUODEOHRSA-N 1 2 348.834 3.660 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266531647 1140699214 /nfs/dbraw/zinc/69/92/14/1140699214.db2.gz MIRNXZFUIUBWSC-CZUORRHYSA-N 1 2 340.345 3.538 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266531647 1140699219 /nfs/dbraw/zinc/69/92/19/1140699219.db2.gz MIRNXZFUIUBWSC-CZUORRHYSA-N 1 2 340.345 3.538 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000266708332 1140718262 /nfs/dbraw/zinc/71/82/62/1140718262.db2.gz GXNVRWUANPMCAT-GOEBONIOSA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000266708332 1140718267 /nfs/dbraw/zinc/71/82/67/1140718267.db2.gz GXNVRWUANPMCAT-GOEBONIOSA-N 1 2 347.434 3.932 20 0 EHADLO c1nc(N2CC[NH+](Cc3ccncc3)CC2)sc1-c1ccccc1 ZINC000266825362 1140727196 /nfs/dbraw/zinc/72/71/96/1140727196.db2.gz AVACNMGKGMAPEL-UHFFFAOYSA-N 1 2 336.464 3.527 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000267048846 1140754060 /nfs/dbraw/zinc/75/40/60/1140754060.db2.gz DQWIGZCTWFCLTJ-SECBINFHSA-N 1 2 344.267 3.822 20 0 EHADLO C[N@H+](Cc1nnc2n1CCCC2)C1c2ccccc2-c2ccccc21 ZINC000267098107 1140759141 /nfs/dbraw/zinc/75/91/41/1140759141.db2.gz NLMLUGJYBJXJEV-UHFFFAOYSA-N 1 2 330.435 3.816 20 0 EHADLO C[N@@H+](Cc1nnc2n1CCCC2)C1c2ccccc2-c2ccccc21 ZINC000267098107 1140759145 /nfs/dbraw/zinc/75/91/45/1140759145.db2.gz NLMLUGJYBJXJEV-UHFFFAOYSA-N 1 2 330.435 3.816 20 0 EHADLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267157964 1140763591 /nfs/dbraw/zinc/76/35/91/1140763591.db2.gz PMZVZWTUUAHVLL-ZFWWWQNUSA-N 1 2 347.846 3.627 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccncc1 ZINC000267876692 1140845502 /nfs/dbraw/zinc/84/55/02/1140845502.db2.gz FLAQQFIGBGCIBJ-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccncc1 ZINC000267876692 1140845515 /nfs/dbraw/zinc/84/55/15/1140845515.db2.gz FLAQQFIGBGCIBJ-UHFFFAOYSA-N 1 2 338.238 3.849 20 0 EHADLO CC(C)[N@H+](CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000267930223 1140850732 /nfs/dbraw/zinc/85/07/32/1140850732.db2.gz LNKOONMEIYARKO-UHFFFAOYSA-N 1 2 340.876 3.578 20 0 EHADLO CC(C)[N@@H+](CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000267930223 1140850740 /nfs/dbraw/zinc/85/07/40/1140850740.db2.gz LNKOONMEIYARKO-UHFFFAOYSA-N 1 2 340.876 3.578 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(OCC(F)F)cc2)s1 ZINC000268231250 1140907202 /nfs/dbraw/zinc/90/72/02/1140907202.db2.gz UORJKPKMDAIGTB-UHFFFAOYSA-N 1 2 341.427 3.769 20 0 EHADLO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268355726 1140925847 /nfs/dbraw/zinc/92/58/47/1140925847.db2.gz RTMWJSRFHVSBLQ-ZHALLVOQSA-N 1 2 340.471 3.669 20 0 EHADLO C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268357895 1140926141 /nfs/dbraw/zinc/92/61/41/1140926141.db2.gz GDFPFYONEVWCEU-IUODEOHRSA-N 1 2 342.830 3.741 20 0 EHADLO C[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268357897 1140926218 /nfs/dbraw/zinc/92/62/18/1140926218.db2.gz GDFPFYONEVWCEU-WFASDCNBSA-N 1 2 342.830 3.741 20 0 EHADLO CC(C)COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268366010 1140927481 /nfs/dbraw/zinc/92/74/81/1140927481.db2.gz IPNPVJZAAOFOAW-APWZRJJASA-N 1 2 341.455 3.641 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1c(F)cccc1F ZINC000268372174 1140928143 /nfs/dbraw/zinc/92/81/43/1140928143.db2.gz VJRZTLKHOSWZPN-HEHGZKQESA-N 1 2 348.397 3.515 20 0 EHADLO C[C@H]1CCN(C(=O)Cc2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000268400684 1140933422 /nfs/dbraw/zinc/93/34/22/1140933422.db2.gz UWHRFKUVQOQPJD-YOEHRIQHSA-N 1 2 339.464 3.750 20 0 EHADLO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000268517363 1140950238 /nfs/dbraw/zinc/95/02/38/1140950238.db2.gz XNRWQISFRHZZKG-CYBMUJFWSA-N 1 2 347.488 3.785 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1occc1C(=O)OC)CCC2 ZINC000268624440 1140963800 /nfs/dbraw/zinc/96/38/00/1140963800.db2.gz ACUXHPMVLXWTNV-ZDUSSCGKSA-N 1 2 334.441 3.595 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1occc1C(=O)OC)CCC2 ZINC000268624440 1140963812 /nfs/dbraw/zinc/96/38/12/1140963812.db2.gz ACUXHPMVLXWTNV-ZDUSSCGKSA-N 1 2 334.441 3.595 20 0 EHADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700490 1140972964 /nfs/dbraw/zinc/97/29/64/1140972964.db2.gz VCTPVPZCYHTMAT-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1csc2ccccc12)c1ccco1 ZINC000268700490 1140972973 /nfs/dbraw/zinc/97/29/73/1140972973.db2.gz VCTPVPZCYHTMAT-DOTOQJQBSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722669 1140977003 /nfs/dbraw/zinc/97/70/03/1140977003.db2.gz WAQABCFJTOSLHQ-IFMALSPDSA-N 1 2 348.446 3.559 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2n1)c1ccccc1 ZINC000268722669 1140977008 /nfs/dbraw/zinc/97/70/08/1140977008.db2.gz WAQABCFJTOSLHQ-IFMALSPDSA-N 1 2 348.446 3.559 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000268809970 1140997411 /nfs/dbraw/zinc/99/74/11/1140997411.db2.gz DMBLKUOLWZCLER-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000268809970 1140997415 /nfs/dbraw/zinc/99/74/15/1140997415.db2.gz DMBLKUOLWZCLER-ZDUSSCGKSA-N 1 2 340.652 3.993 20 0 EHADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268850404 1141008495 /nfs/dbraw/zinc/00/84/95/1141008495.db2.gz SRIVHERRBFOLTB-MRXNPFEDSA-N 1 2 325.456 3.656 20 0 EHADLO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000269298392 1141090192 /nfs/dbraw/zinc/09/01/92/1141090192.db2.gz XAPHADGDKOURBY-LBPRGKRZSA-N 1 2 340.880 3.781 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1cccs1)[NH+]1CCSCC1 ZINC000269693359 1141136046 /nfs/dbraw/zinc/13/60/46/1141136046.db2.gz HLECYUKTZDKYIR-ZDUSSCGKSA-N 1 2 332.494 3.791 20 0 EHADLO COc1cc(OC)c(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c(OC)c1 ZINC000269877938 1141153624 /nfs/dbraw/zinc/15/36/24/1141153624.db2.gz XMUMVRXOKWERLN-INIZCTEOSA-N 1 2 349.377 3.768 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC000269982500 1141164617 /nfs/dbraw/zinc/16/46/17/1141164617.db2.gz NJYYJWDOVMMISO-VIFPVBQESA-N 1 2 346.374 3.881 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000270036445 1141171154 /nfs/dbraw/zinc/17/11/54/1141171154.db2.gz IZLGBASKTUSBIA-LBPRGKRZSA-N 1 2 348.244 3.500 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2[C@H](C)c2ccccc2)c1 ZINC000270124219 1141182782 /nfs/dbraw/zinc/18/27/82/1141182782.db2.gz LCUXGKABOWQJAN-CQSZACIVSA-N 1 2 340.452 3.892 20 0 EHADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000270272674 1141200276 /nfs/dbraw/zinc/20/02/76/1141200276.db2.gz XZUNCDHZBKINPV-CYBMUJFWSA-N 1 2 348.244 3.500 20 0 EHADLO C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270361698 1141212376 /nfs/dbraw/zinc/21/23/76/1141212376.db2.gz RONDNXFLBIEJND-PBHICJAKSA-N 1 2 336.439 3.912 20 0 EHADLO CC[C@H](C)[N@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271046190 1141298970 /nfs/dbraw/zinc/29/89/70/1141298970.db2.gz RDJWICMOEGRKBT-LBPRGKRZSA-N 1 2 342.468 3.901 20 0 EHADLO CC[C@H](C)[N@@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271046190 1141298975 /nfs/dbraw/zinc/29/89/75/1141298975.db2.gz RDJWICMOEGRKBT-LBPRGKRZSA-N 1 2 342.468 3.901 20 0 EHADLO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cscn1)c1cccc(OC)c1 ZINC000271113325 1141308191 /nfs/dbraw/zinc/30/81/91/1141308191.db2.gz HVKZYORCVXUBSB-KDOFPFPSSA-N 1 2 333.501 3.885 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(C(C)(C)C)cc1 ZINC000271340561 1141348243 /nfs/dbraw/zinc/34/82/43/1141348243.db2.gz TZYFPJJPNPSGCM-UHFFFAOYSA-N 1 2 334.423 3.841 20 0 EHADLO Cc1nnc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000271450324 1141369517 /nfs/dbraw/zinc/36/95/17/1141369517.db2.gz RPUYIDPBWQSXOI-UHFFFAOYSA-N 1 2 330.482 3.836 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 ZINC000271470444 1141375392 /nfs/dbraw/zinc/37/53/92/1141375392.db2.gz LSZHHDFMHNJEDN-MLGOLLRUSA-N 1 2 349.377 3.510 20 0 EHADLO CCCc1nc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)co1 ZINC000273836516 1141429711 /nfs/dbraw/zinc/42/97/11/1141429711.db2.gz LUSBHLNVDXGISW-UHFFFAOYSA-N 1 2 348.406 3.795 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000274286512 1141493340 /nfs/dbraw/zinc/49/33/40/1141493340.db2.gz ZJXDJEQHTVXBBP-WDEREUQCSA-N 1 2 345.447 3.892 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000348548636 1141550337 /nfs/dbraw/zinc/55/03/37/1141550337.db2.gz QUOCBCDFYMRGLT-SJORKVTESA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000348548636 1141550340 /nfs/dbraw/zinc/55/03/40/1141550340.db2.gz QUOCBCDFYMRGLT-SJORKVTESA-N 1 2 349.377 3.605 20 0 EHADLO CSc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)OCCO2 ZINC000348665902 1141564166 /nfs/dbraw/zinc/56/41/66/1141564166.db2.gz ADOZKKPMNSFUIL-HNNXBMFYSA-N 1 2 345.468 3.630 20 0 EHADLO CSc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1)OCCO2 ZINC000348665902 1141564169 /nfs/dbraw/zinc/56/41/69/1141564169.db2.gz ADOZKKPMNSFUIL-HNNXBMFYSA-N 1 2 345.468 3.630 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)oc1C ZINC000097476164 219028462 /nfs/dbraw/zinc/02/84/62/219028462.db2.gz PHZLKAOCTBIIBB-QGZVFWFLSA-N 1 2 349.814 3.602 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)oc1C ZINC000097476164 219028465 /nfs/dbraw/zinc/02/84/65/219028465.db2.gz PHZLKAOCTBIIBB-QGZVFWFLSA-N 1 2 349.814 3.602 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NCc1ccc(NS(C)(=O)=O)cc1 ZINC000531758095 477911393 /nfs/dbraw/zinc/91/13/93/477911393.db2.gz AEELNKOGFAMKCO-UHFFFAOYSA-N 1 2 341.436 3.527 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)oc1C ZINC000253397442 564130540 /nfs/dbraw/zinc/13/05/40/564130540.db2.gz UOXOTXYDTHHZFR-IUODEOHRSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)oc1C ZINC000253397442 564130541 /nfs/dbraw/zinc/13/05/41/564130541.db2.gz UOXOTXYDTHHZFR-IUODEOHRSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C ZINC000225398311 564134428 /nfs/dbraw/zinc/13/44/28/564134428.db2.gz UOXOTXYDTHHZFR-DOMZBBRYSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C ZINC000225398311 564134429 /nfs/dbraw/zinc/13/44/29/564134429.db2.gz UOXOTXYDTHHZFR-DOMZBBRYSA-N 1 2 340.345 3.618 20 0 EHADLO Cc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ns1 ZINC000425563156 564165808 /nfs/dbraw/zinc/16/58/08/564165808.db2.gz DCGJBBRIWKCNBM-UHFFFAOYSA-N 1 2 338.436 3.904 20 0 EHADLO c1cc([NH2+]CC2CCCC2)ccc1Nc1ccc(-c2nn[nH]n2)cn1 ZINC000738418973 598520781 /nfs/dbraw/zinc/52/07/81/598520781.db2.gz KPLQWXZZGPBJBG-UHFFFAOYSA-N 1 2 335.415 3.607 20 0 EHADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826351518 608729545 /nfs/dbraw/zinc/72/95/45/608729545.db2.gz PQVCVUNYHXUYTQ-CYBMUJFWSA-N 1 2 331.832 3.529 20 0 EHADLO Clc1ccc([C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826351518 608729548 /nfs/dbraw/zinc/72/95/48/608729548.db2.gz PQVCVUNYHXUYTQ-CYBMUJFWSA-N 1 2 331.832 3.529 20 0 EHADLO COc1ccccc1-n1c2ccccc2[nH+]c1NCc1cn(C)nc1C ZINC000195152815 1032058123 /nfs/dbraw/zinc/05/81/23/1032058123.db2.gz SOQRRJFCWRHNSJ-UHFFFAOYSA-N 1 2 347.422 3.688 20 0 EHADLO C[C@H](OCc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442586 1032058518 /nfs/dbraw/zinc/05/85/18/1032058518.db2.gz FYJCDNAYJHYGBA-AWEZNQCLSA-N 1 2 339.370 3.555 20 0 EHADLO O=C([O-])c1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC001574802846 957844280 /nfs/dbraw/zinc/84/42/80/957844280.db2.gz RIJXHJRECZVDMC-UHFFFAOYSA-N 1 2 347.827 3.575 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)n1 ZINC000649748233 1125467644 /nfs/dbraw/zinc/46/76/44/1125467644.db2.gz STGGIXQUUBZFIJ-QWHCGFSZSA-N 1 2 349.862 3.982 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)n1 ZINC000649748233 1125467647 /nfs/dbraw/zinc/46/76/47/1125467647.db2.gz STGGIXQUUBZFIJ-QWHCGFSZSA-N 1 2 349.862 3.982 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nnnn2Cc2ccccc2)cc1C ZINC000620141472 1125482545 /nfs/dbraw/zinc/48/25/45/1125482545.db2.gz VBCPQBQXLDZIJY-FQEVSTJZSA-N 1 2 347.466 3.675 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nnnn2Cc2ccccc2)cc1C ZINC000620141472 1125482548 /nfs/dbraw/zinc/48/25/48/1125482548.db2.gz VBCPQBQXLDZIJY-FQEVSTJZSA-N 1 2 347.466 3.675 20 0 EHADLO CC(C)CC[C@@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000584287409 1032072192 /nfs/dbraw/zinc/07/21/92/1032072192.db2.gz IRPOLBVCJIDMRP-QGZVFWFLSA-N 1 2 325.456 3.811 20 0 EHADLO CC(C)CC[C@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000584287408 1032073078 /nfs/dbraw/zinc/07/30/78/1032073078.db2.gz IRPOLBVCJIDMRP-KRWDZBQOSA-N 1 2 325.456 3.811 20 0 EHADLO C[C@H](C[N@@H+]1CCn2c(nnc2C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449039250 1032084629 /nfs/dbraw/zinc/08/46/29/1032084629.db2.gz YTXQICLZQDMHOF-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@H](C[N@H+]1CCn2c(nnc2C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449039250 1032084649 /nfs/dbraw/zinc/08/46/49/1032084649.db2.gz YTXQICLZQDMHOF-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO CC(C)COCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044569083 1014171296 /nfs/dbraw/zinc/17/12/96/1014171296.db2.gz JJSYPCHCHZSEKY-UHFFFAOYSA-N 1 2 341.455 3.888 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000274550078 1014215232 /nfs/dbraw/zinc/21/52/32/1014215232.db2.gz DETAJNMGUOKVSW-JTQLQIEISA-N 1 2 349.422 3.604 20 0 EHADLO CCCc1nc(C)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000547623409 1014241554 /nfs/dbraw/zinc/24/15/54/1014241554.db2.gz VDIKIGIVLRVIOO-UHFFFAOYSA-N 1 2 328.441 3.541 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@@H]3c3nccs3)nc[nH+]2)C1 ZINC001167048872 1014352033 /nfs/dbraw/zinc/35/20/33/1014352033.db2.gz UCMKTBIMUPPVGM-ZIAGYGMSSA-N 1 2 329.473 3.511 20 0 EHADLO C[C@@H]1CCCN(c2cc(N3CCC[C@@H]3c3nccs3)[nH+]cn2)C1 ZINC001167048872 1014352046 /nfs/dbraw/zinc/35/20/46/1014352046.db2.gz UCMKTBIMUPPVGM-ZIAGYGMSSA-N 1 2 329.473 3.511 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339444890 1014499701 /nfs/dbraw/zinc/49/97/01/1014499701.db2.gz PVTGIEOIBBOXQM-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000339444890 1014499707 /nfs/dbraw/zinc/49/97/07/1014499707.db2.gz PVTGIEOIBBOXQM-ZDUSSCGKSA-N 1 2 331.847 3.648 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000339469397 1014532486 /nfs/dbraw/zinc/53/24/86/1014532486.db2.gz JWGFBHAJHULLPK-QGZVFWFLSA-N 1 2 343.430 3.621 20 0 EHADLO CCCC[C@H](C)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000642682477 1014542711 /nfs/dbraw/zinc/54/27/11/1014542711.db2.gz SSCYMQRACPAPIX-WMZOPIPTSA-N 1 2 342.487 3.924 20 0 EHADLO C[C@H]1CC=C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000904498415 1032095293 /nfs/dbraw/zinc/09/52/93/1032095293.db2.gz ZZEHPKPTXLHMCU-HNNXBMFYSA-N 1 2 339.439 3.772 20 0 EHADLO CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001595281872 980339234 /nfs/dbraw/zinc/33/92/34/980339234.db2.gz UGPZNVPVEGEBMN-DLBZAZTESA-N 1 2 329.444 3.737 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccccc1)CC1CCC1 ZINC000066338299 1014755421 /nfs/dbraw/zinc/75/54/21/1014755421.db2.gz IDZDRZQFTJENDI-UHFFFAOYSA-N 1 2 340.471 3.675 20 0 EHADLO CO[C@H]1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000339549935 1014820171 /nfs/dbraw/zinc/82/01/71/1014820171.db2.gz XIPXHXMZYDUJFX-JSGCOSHPSA-N 1 2 333.819 3.669 20 0 EHADLO COc1ccc2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000339554307 1014843934 /nfs/dbraw/zinc/84/39/34/1014843934.db2.gz VRLOHCITJXVAQQ-UHFFFAOYSA-N 1 2 335.407 3.591 20 0 EHADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000650107011 1014845831 /nfs/dbraw/zinc/84/58/31/1014845831.db2.gz CENKHUKILVPDQJ-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000650107011 1014845846 /nfs/dbraw/zinc/84/58/46/1014845846.db2.gz CENKHUKILVPDQJ-AWEZNQCLSA-N 1 2 342.414 3.528 20 0 EHADLO O=C(/C=C/CCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001625797117 1014925969 /nfs/dbraw/zinc/92/59/69/1014925969.db2.gz FGLCLBMGRUNVCY-WEVVVXLNSA-N 1 2 331.419 3.678 20 0 EHADLO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2Br)n1 ZINC000361644996 1014942891 /nfs/dbraw/zinc/94/28/91/1014942891.db2.gz RAUZPARYEVINNA-UHFFFAOYSA-N 1 2 339.208 3.629 20 0 EHADLO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2Br)n1 ZINC000361644996 1014942901 /nfs/dbraw/zinc/94/29/01/1014942901.db2.gz RAUZPARYEVINNA-UHFFFAOYSA-N 1 2 339.208 3.629 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430242983 1015207972 /nfs/dbraw/zinc/20/79/72/1015207972.db2.gz KIYQKSKZVRUUKW-SFHVURJKSA-N 1 2 338.480 3.897 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430242983 1015207984 /nfs/dbraw/zinc/20/79/84/1015207984.db2.gz KIYQKSKZVRUUKW-SFHVURJKSA-N 1 2 338.480 3.897 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3[C@H](C)Cc4cc(F)ccc4[C@H]3C)ccn12 ZINC001266303145 1015358597 /nfs/dbraw/zinc/35/85/97/1015358597.db2.gz INCWPMSQKYEZJZ-TZMCWYRMSA-N 1 2 337.398 3.930 20 0 EHADLO Fc1ccc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000179428116 1015383338 /nfs/dbraw/zinc/38/33/38/1015383338.db2.gz NEIQMERGKIKCID-FQEVSTJZSA-N 1 2 325.383 3.675 20 0 EHADLO Fc1ccc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000179428116 1015383351 /nfs/dbraw/zinc/38/33/51/1015383351.db2.gz NEIQMERGKIKCID-FQEVSTJZSA-N 1 2 325.383 3.675 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000179428129 1015384251 /nfs/dbraw/zinc/38/42/51/1015384251.db2.gz NEIQMERGKIKCID-HXUWFJFHSA-N 1 2 325.383 3.675 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc1 ZINC000179428129 1015384265 /nfs/dbraw/zinc/38/42/65/1015384265.db2.gz NEIQMERGKIKCID-HXUWFJFHSA-N 1 2 325.383 3.675 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000179428739 1015386048 /nfs/dbraw/zinc/38/60/48/1015386048.db2.gz NNOBXPRFMIFKDM-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO CCSc1cccc(C[N@@H+]2CC[S@](=O)C(CC)(CC)C2)c1 ZINC000351982534 1015406083 /nfs/dbraw/zinc/40/60/83/1015406083.db2.gz PMBYGMWZRZWCAL-NRFANRHFSA-N 1 2 325.543 3.922 20 0 EHADLO CCSc1cccc(C[N@H+]2CC[S@](=O)C(CC)(CC)C2)c1 ZINC000351982534 1015406087 /nfs/dbraw/zinc/40/60/87/1015406087.db2.gz PMBYGMWZRZWCAL-NRFANRHFSA-N 1 2 325.543 3.922 20 0 EHADLO CC[C@H](C)Oc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000339631829 1015431788 /nfs/dbraw/zinc/43/17/88/1015431788.db2.gz XTXPUJAQZKWRDJ-GJZGRUSLSA-N 1 2 342.443 3.619 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339648713 1015457014 /nfs/dbraw/zinc/45/70/14/1015457014.db2.gz ZYQQGJGLCFAGHV-MRXNPFEDSA-N 1 2 326.444 3.566 20 0 EHADLO CCCOc1ccc(C[N@H+](CCC)Cc2nccc(C)n2)cc1OC ZINC000339654113 1015468752 /nfs/dbraw/zinc/46/87/52/1015468752.db2.gz RHDLCJAAMWDQQI-UHFFFAOYSA-N 1 2 343.471 3.995 20 0 EHADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nccc(C)n2)cc1OC ZINC000339654113 1015468758 /nfs/dbraw/zinc/46/87/58/1015468758.db2.gz RHDLCJAAMWDQQI-UHFFFAOYSA-N 1 2 343.471 3.995 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260465 1015472796 /nfs/dbraw/zinc/47/27/96/1015472796.db2.gz QAOSGXPUDNVZIP-KYZVSKTDSA-N 1 2 325.399 3.684 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430260465 1015472804 /nfs/dbraw/zinc/47/28/04/1015472804.db2.gz QAOSGXPUDNVZIP-KYZVSKTDSA-N 1 2 325.399 3.684 20 0 EHADLO Cc1ccnc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC000339665203 1015488237 /nfs/dbraw/zinc/48/82/37/1015488237.db2.gz JAMZVKHCNDEUTO-UHFFFAOYSA-N 1 2 336.414 3.564 20 0 EHADLO Cc1ccnc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC000339665203 1015488242 /nfs/dbraw/zinc/48/82/42/1015488242.db2.gz JAMZVKHCNDEUTO-UHFFFAOYSA-N 1 2 336.414 3.564 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(OC(F)F)c(F)c3)ccc2[nH+]1 ZINC000339691937 1015542905 /nfs/dbraw/zinc/54/29/05/1015542905.db2.gz QQWVTLCPUXJGNM-UHFFFAOYSA-N 1 2 335.285 3.636 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc(N(C)C)s3)[C@H](C)CO2)c1 ZINC000536678221 1032119690 /nfs/dbraw/zinc/11/96/90/1032119690.db2.gz ITCAUKMYYFXICR-QAPCUYQASA-N 1 2 345.512 3.788 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc(N(C)C)s3)[C@H](C)CO2)c1 ZINC000536678221 1032119696 /nfs/dbraw/zinc/11/96/96/1032119696.db2.gz ITCAUKMYYFXICR-QAPCUYQASA-N 1 2 345.512 3.788 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(F)c(SC)c2)c1C ZINC000179752864 1015602329 /nfs/dbraw/zinc/60/23/29/1015602329.db2.gz NAVLOVCMSDOPEH-UHFFFAOYSA-N 1 2 348.443 3.840 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000536678828 1032121967 /nfs/dbraw/zinc/12/19/67/1032121967.db2.gz KICQLDNNLDBOOI-FQEVSTJZSA-N 1 2 345.437 3.937 20 0 EHADLO Brc1ccccc1C[C@H]1CCCC[N@@H+]1Cc1cnc[nH]1 ZINC000339800507 1015689341 /nfs/dbraw/zinc/68/93/41/1015689341.db2.gz HVWUYLRZUOLMPR-OAHLLOKOSA-N 1 2 334.261 3.769 20 0 EHADLO Brc1ccccc1C[C@H]1CCCC[N@H+]1Cc1cnc[nH]1 ZINC000339800507 1015689345 /nfs/dbraw/zinc/68/93/45/1015689345.db2.gz HVWUYLRZUOLMPR-OAHLLOKOSA-N 1 2 334.261 3.769 20 0 EHADLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000430285480 1015789013 /nfs/dbraw/zinc/78/90/13/1015789013.db2.gz QUDXWPBMTFJYOQ-CYBMUJFWSA-N 1 2 327.453 3.647 20 0 EHADLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000430285480 1015789019 /nfs/dbraw/zinc/78/90/19/1015789019.db2.gz QUDXWPBMTFJYOQ-CYBMUJFWSA-N 1 2 327.453 3.647 20 0 EHADLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)sc2C1 ZINC000547758264 1015875847 /nfs/dbraw/zinc/87/58/47/1015875847.db2.gz SCPSIFLLWKRVRK-VXGBXAGGSA-N 1 2 344.484 3.830 20 0 EHADLO COCC1=CC[N@@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000185821539 1120430376 /nfs/dbraw/zinc/43/03/76/1120430376.db2.gz RXOBWUDVCPCZKI-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO Cc1ccc2nc(C3CC3)cc(C(=O)N(C)CCCn3cc[nH+]c3)c2c1 ZINC000154939811 1015962179 /nfs/dbraw/zinc/96/21/79/1015962179.db2.gz LXDFPURKFUHGFN-UHFFFAOYSA-N 1 2 348.450 3.779 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000180673340 1016025714 /nfs/dbraw/zinc/02/57/14/1016025714.db2.gz NJMBVHYEZNCCMH-HOTGVXAUSA-N 1 2 344.499 3.838 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c(F)c1 ZINC000547766093 1016028619 /nfs/dbraw/zinc/02/86/19/1016028619.db2.gz PNCLEKNRZHXIQU-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c(F)c1 ZINC000547766093 1016028632 /nfs/dbraw/zinc/02/86/32/1016028632.db2.gz PNCLEKNRZHXIQU-LIRRHRJNSA-N 1 2 343.398 3.574 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000275135540 1016087220 /nfs/dbraw/zinc/08/72/20/1016087220.db2.gz ZNEZDESPTCOEAV-QWRGUYRKSA-N 1 2 341.242 3.639 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000275135539 1016087375 /nfs/dbraw/zinc/08/73/75/1016087375.db2.gz ZNEZDESPTCOEAV-MNOVXSKESA-N 1 2 341.242 3.639 20 0 EHADLO C[C@H]1CC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000183177561 1032139012 /nfs/dbraw/zinc/13/90/12/1032139012.db2.gz IMILIHWDTPRPJY-MCPYQZEQSA-N 1 2 325.456 3.620 20 0 EHADLO CC1CCC(OC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)CC1 ZINC000340021246 1016128065 /nfs/dbraw/zinc/12/80/65/1016128065.db2.gz RQEKJLZRFDCOPS-UHFFFAOYSA-N 1 2 344.503 3.863 20 0 EHADLO CC1CCC(OC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)CC1 ZINC000340021246 1016128080 /nfs/dbraw/zinc/12/80/80/1016128080.db2.gz RQEKJLZRFDCOPS-UHFFFAOYSA-N 1 2 344.503 3.863 20 0 EHADLO OCC[N@H+](Cc1cnc(C2CCCCC2)s1)Cc1cccnc1 ZINC000536683551 1032143951 /nfs/dbraw/zinc/14/39/51/1032143951.db2.gz PUSHERZAOLZMRY-UHFFFAOYSA-N 1 2 331.485 3.580 20 0 EHADLO OCC[N@@H+](Cc1cnc(C2CCCCC2)s1)Cc1cccnc1 ZINC000536683551 1032143957 /nfs/dbraw/zinc/14/39/57/1032143957.db2.gz PUSHERZAOLZMRY-UHFFFAOYSA-N 1 2 331.485 3.580 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cnc2ccsc2c1 ZINC000090232664 1016292129 /nfs/dbraw/zinc/29/21/29/1016292129.db2.gz UQMLHEIHXWXQGZ-ZDUSSCGKSA-N 1 2 335.436 3.728 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000683377651 1016479309 /nfs/dbraw/zinc/47/93/09/1016479309.db2.gz HZNPFTJQFMBRKR-SFHVURJKSA-N 1 2 347.462 3.968 20 0 EHADLO COCC1(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CCC1 ZINC000361347931 1016490326 /nfs/dbraw/zinc/49/03/26/1016490326.db2.gz FTKMJZBDPQGOAW-MRXNPFEDSA-N 1 2 343.389 3.895 20 0 EHADLO COCC1(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CCC1 ZINC000361347931 1016490338 /nfs/dbraw/zinc/49/03/38/1016490338.db2.gz FTKMJZBDPQGOAW-MRXNPFEDSA-N 1 2 343.389 3.895 20 0 EHADLO CCOc1ccc([C@@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000683383572 1016531196 /nfs/dbraw/zinc/53/11/96/1016531196.db2.gz DRLHVLRFFHYPDW-CQSZACIVSA-N 1 2 344.484 3.602 20 0 EHADLO CCOc1ccc([C@@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000683383572 1016531203 /nfs/dbraw/zinc/53/12/03/1016531203.db2.gz DRLHVLRFFHYPDW-CQSZACIVSA-N 1 2 344.484 3.602 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363112 1016562633 /nfs/dbraw/zinc/56/26/33/1016562633.db2.gz ROHFVGAMFJBNGQ-CHWSQXEVSA-N 1 2 337.407 3.605 20 0 EHADLO O[C@H](C[C@@H]1COCC[N@H+]1CCCCC(F)(F)F)c1cccs1 ZINC000155363112 1016562644 /nfs/dbraw/zinc/56/26/44/1016562644.db2.gz ROHFVGAMFJBNGQ-CHWSQXEVSA-N 1 2 337.407 3.605 20 0 EHADLO COCC[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccco1 ZINC000459454112 1032149450 /nfs/dbraw/zinc/14/94/50/1032149450.db2.gz BLTYEKWSYXWCFG-GFCCVEGCSA-N 1 2 340.217 3.615 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2nccn2C2CC2)cnn1-c1ccc(F)cc1 ZINC000892685931 1016712928 /nfs/dbraw/zinc/71/29/28/1016712928.db2.gz FKYVEBDUQWNKEK-CYBMUJFWSA-N 1 2 339.418 3.702 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CCCC1 ZINC001140887030 1016719482 /nfs/dbraw/zinc/71/94/82/1016719482.db2.gz QOYPFLPQFMVEGX-UHFFFAOYSA-N 1 2 349.324 3.642 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CCCC1 ZINC001140887030 1016719493 /nfs/dbraw/zinc/71/94/93/1016719493.db2.gz QOYPFLPQFMVEGX-UHFFFAOYSA-N 1 2 349.324 3.642 20 0 EHADLO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(Cl)nn1 ZINC000167237898 1016734361 /nfs/dbraw/zinc/73/43/61/1016734361.db2.gz JWLPSBFJHKBYCA-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(Cl)nn1 ZINC000167237898 1016734372 /nfs/dbraw/zinc/73/43/72/1016734372.db2.gz JWLPSBFJHKBYCA-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO O=C(NCc1ccccc1OC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000118266248 1032150153 /nfs/dbraw/zinc/15/01/53/1032150153.db2.gz JGMZBFLLEHRNLQ-UHFFFAOYSA-N 1 2 347.418 3.734 20 0 EHADLO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000178721971 1016761132 /nfs/dbraw/zinc/76/11/32/1016761132.db2.gz ARGUUYOYCXJKFK-UHFFFAOYSA-N 1 2 345.315 3.925 20 0 EHADLO CC[C@H](CC(C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000659531741 1016799753 /nfs/dbraw/zinc/79/97/53/1016799753.db2.gz BBJBAWOGNAEBMV-AEFFLSMTSA-N 1 2 327.472 3.892 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cs1 ZINC000275534625 1017001348 /nfs/dbraw/zinc/00/13/48/1017001348.db2.gz XSUOQCABULIANB-MRXNPFEDSA-N 1 2 331.485 3.788 20 0 EHADLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cs1 ZINC000275534625 1017001362 /nfs/dbraw/zinc/00/13/62/1017001362.db2.gz XSUOQCABULIANB-MRXNPFEDSA-N 1 2 331.485 3.788 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2Br)o1 ZINC000892713084 1017032055 /nfs/dbraw/zinc/03/20/55/1017032055.db2.gz PQXLDXGYKBAEJN-UHFFFAOYSA-N 1 2 340.217 3.739 20 0 EHADLO Fc1ccc([C@H]([NH2+]C2CC(c3ccccc3F)C2)c2nnc[nH]2)cc1 ZINC000340374040 1017054804 /nfs/dbraw/zinc/05/48/04/1017054804.db2.gz CBFHYGIOEHHZBH-RWKZGTHUSA-N 1 2 340.377 3.708 20 0 EHADLO c1ccc2c(c1)O[C@H](c1noc([C@H]3CC[N@H+]3C3CCCC3)n1)CS2 ZINC000924044628 1017065329 /nfs/dbraw/zinc/06/53/29/1017065329.db2.gz JYYPEHMUZCPJPJ-HIFRSBDPSA-N 1 2 343.452 3.985 20 0 EHADLO c1ccc2c(c1)O[C@H](c1noc([C@H]3CC[N@@H+]3C3CCCC3)n1)CS2 ZINC000924044628 1017065338 /nfs/dbraw/zinc/06/53/38/1017065338.db2.gz JYYPEHMUZCPJPJ-HIFRSBDPSA-N 1 2 343.452 3.985 20 0 EHADLO Cc1c[nH+]c2cc(-c3nc(-c4ccc(Br)o4)no3)ccn12 ZINC000904629738 1032166959 /nfs/dbraw/zinc/16/69/59/1032166959.db2.gz UJNDNZLZYAYWEH-UHFFFAOYSA-N 1 2 345.156 3.715 20 0 EHADLO CC(C)OC1CC([N@@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000459489103 1032212233 /nfs/dbraw/zinc/21/22/33/1032212233.db2.gz QASAMGIIMVBHDH-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)OC1CC([N@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000459489103 1032212247 /nfs/dbraw/zinc/21/22/47/1032212247.db2.gz QASAMGIIMVBHDH-UHFFFAOYSA-N 1 2 342.252 3.902 20 0 EHADLO CC(C)([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(Cl)c1 ZINC000538215453 1032218251 /nfs/dbraw/zinc/21/82/51/1032218251.db2.gz DREKDQOLTDDPKM-UHFFFAOYSA-N 1 2 333.741 3.853 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000329776908 1032240006 /nfs/dbraw/zinc/24/00/06/1032240006.db2.gz KGFOEQGEGBSCBM-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000329776908 1032240021 /nfs/dbraw/zinc/24/00/21/1032240021.db2.gz KGFOEQGEGBSCBM-GOEBONIOSA-N 1 2 347.846 3.779 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000053116818 1032253615 /nfs/dbraw/zinc/25/36/15/1032253615.db2.gz HOJNYTDXAHQUEV-JTQLQIEISA-N 1 2 342.226 3.749 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000053116818 1032253629 /nfs/dbraw/zinc/25/36/29/1032253629.db2.gz HOJNYTDXAHQUEV-JTQLQIEISA-N 1 2 342.226 3.749 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCCC23CC3)c1)[NH+]1CCOCC1 ZINC000528421938 1032273177 /nfs/dbraw/zinc/27/31/77/1032273177.db2.gz HAEDIJCCJZWHOA-MAUKXSAKSA-N 1 2 328.456 3.599 20 0 EHADLO C[C@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000528425015 1032278819 /nfs/dbraw/zinc/27/88/19/1032278819.db2.gz SRKWQGGFLDJDIC-HZPDHXFCSA-N 1 2 342.439 3.805 20 0 EHADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000459586421 1032286770 /nfs/dbraw/zinc/28/67/70/1032286770.db2.gz UAAASKNYLIWCNZ-UHFFFAOYSA-N 1 2 331.363 3.573 20 0 EHADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000459586421 1032286784 /nfs/dbraw/zinc/28/67/84/1032286784.db2.gz UAAASKNYLIWCNZ-UHFFFAOYSA-N 1 2 331.363 3.573 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000184379531 1032287920 /nfs/dbraw/zinc/28/79/20/1032287920.db2.gz UDFMVRAFOCMJBM-GFCCVEGCSA-N 1 2 347.509 3.601 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000184483156 1032304121 /nfs/dbraw/zinc/30/41/21/1032304121.db2.gz XZZDYCQLBWASMT-LSDHHAIUSA-N 1 2 337.464 3.527 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000184483156 1032304130 /nfs/dbraw/zinc/30/41/30/1032304130.db2.gz XZZDYCQLBWASMT-LSDHHAIUSA-N 1 2 337.464 3.527 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CO1 ZINC000568765756 1032299626 /nfs/dbraw/zinc/29/96/26/1032299626.db2.gz ZTJZFUSGZOEFPI-ZTFGCOKTSA-N 1 2 335.407 3.593 20 0 EHADLO COc1ccnc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000924802203 1032304921 /nfs/dbraw/zinc/30/49/21/1032304921.db2.gz HUOWXJDSJIBAEG-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)COc1ccccc1CNc1cc(CSCCO)cc[nH+]1 ZINC000449205011 1032307940 /nfs/dbraw/zinc/30/79/40/1032307940.db2.gz NLOMOAGFXWYWBJ-UHFFFAOYSA-N 1 2 346.496 3.954 20 0 EHADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000139265593 1032315691 /nfs/dbraw/zinc/31/56/91/1032315691.db2.gz UXUJXOJIUWIHFK-VXGBXAGGSA-N 1 2 343.452 3.723 20 0 EHADLO Clc1ccc(Br)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000459618588 1032330357 /nfs/dbraw/zinc/33/03/57/1032330357.db2.gz KXPJCNMHVWDXHE-UHFFFAOYSA-N 1 2 330.653 3.715 20 0 EHADLO CSCc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184793410 1032335410 /nfs/dbraw/zinc/33/54/10/1032335410.db2.gz JBOATJDSLLYJBF-UHFFFAOYSA-N 1 2 326.425 3.519 20 0 EHADLO CCOC1(C)C[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000459619061 1032330638 /nfs/dbraw/zinc/33/06/38/1032330638.db2.gz JVSPTPXEBNDOKI-UHFFFAOYSA-N 1 2 348.450 3.545 20 0 EHADLO CS(=O)(=O)c1cc(C[N@@H+]2CCCC3(CCCCC3)CC2)co1 ZINC000528470091 1032340191 /nfs/dbraw/zinc/34/01/91/1032340191.db2.gz CNYSHCMUMCJPIO-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO CS(=O)(=O)c1cc(C[N@H+]2CCCC3(CCCCC3)CC2)co1 ZINC000528470091 1032340202 /nfs/dbraw/zinc/34/02/02/1032340202.db2.gz CNYSHCMUMCJPIO-UHFFFAOYSA-N 1 2 325.474 3.620 20 0 EHADLO COCCC1(C)C[NH+](Cc2ccc(Cl)cc2Br)C1 ZINC000459630391 1032347134 /nfs/dbraw/zinc/34/71/34/1032347134.db2.gz GMCRJVHHVRZEBL-UHFFFAOYSA-N 1 2 332.669 3.961 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(C)n(C4CCCCC4)n3)ccc2[nH+]1 ZINC000538440904 1032368091 /nfs/dbraw/zinc/36/80/91/1032368091.db2.gz VILRDSLXJJIRGG-UHFFFAOYSA-N 1 2 337.427 3.905 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424604 1032396037 /nfs/dbraw/zinc/39/60/37/1032396037.db2.gz HMURHVHUWPQUQX-LLVKDONJSA-N 1 2 335.249 3.508 20 0 EHADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278757286 1032389861 /nfs/dbraw/zinc/38/98/61/1032389861.db2.gz WYBWPLBGMGWSQV-SECBINFHSA-N 1 2 343.374 3.971 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)C12CCCC2 ZINC000528513544 1032391475 /nfs/dbraw/zinc/39/14/75/1032391475.db2.gz WHSLHOVMXCVTRQ-LBPRGKRZSA-N 1 2 346.215 3.607 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)C12CCCC2 ZINC000528513544 1032391478 /nfs/dbraw/zinc/39/14/78/1032391478.db2.gz WHSLHOVMXCVTRQ-LBPRGKRZSA-N 1 2 346.215 3.607 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528510174 1032413400 /nfs/dbraw/zinc/41/34/00/1032413400.db2.gz XHDGHRCBAUMZCO-LJQANCHMSA-N 1 2 347.480 3.627 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528510174 1032413406 /nfs/dbraw/zinc/41/34/06/1032413406.db2.gz XHDGHRCBAUMZCO-LJQANCHMSA-N 1 2 347.480 3.627 20 0 EHADLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000459712354 1032442312 /nfs/dbraw/zinc/44/23/12/1032442312.db2.gz MPTCUABXYUKTMY-GFCCVEGCSA-N 1 2 345.270 3.823 20 0 EHADLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000459712354 1032442319 /nfs/dbraw/zinc/44/23/19/1032442319.db2.gz MPTCUABXYUKTMY-GFCCVEGCSA-N 1 2 345.270 3.823 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCc2nccnc2C1 ZINC000668734972 1032450152 /nfs/dbraw/zinc/45/01/52/1032450152.db2.gz VHAIVSZDTIJWGL-JLHYYAGUSA-N 1 2 331.366 3.540 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCc2nccnc2C1 ZINC000668734972 1032450164 /nfs/dbraw/zinc/45/01/64/1032450164.db2.gz VHAIVSZDTIJWGL-JLHYYAGUSA-N 1 2 331.366 3.540 20 0 EHADLO CCOc1ccccc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459757348 1032450923 /nfs/dbraw/zinc/45/09/23/1032450923.db2.gz RQAZBOHZUGISRA-UHFFFAOYSA-N 1 2 328.387 3.569 20 0 EHADLO CCOc1ccccc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459757348 1032450926 /nfs/dbraw/zinc/45/09/26/1032450926.db2.gz RQAZBOHZUGISRA-UHFFFAOYSA-N 1 2 328.387 3.569 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c(Br)c1 ZINC000459739080 1032453992 /nfs/dbraw/zinc/45/39/92/1032453992.db2.gz CZTQEXLFKQZUHP-GHMZBOCLSA-N 1 2 338.249 3.603 20 0 EHADLO COCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000528575630 1032455009 /nfs/dbraw/zinc/45/50/09/1032455009.db2.gz AZEKVPZNDXCKAT-LBPRGKRZSA-N 1 2 342.842 3.555 20 0 EHADLO CCCOc1cccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c1 ZINC000449344119 1032460805 /nfs/dbraw/zinc/46/08/05/1032460805.db2.gz BAAHLNFTEQBWED-UHFFFAOYSA-N 1 2 336.439 3.613 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1)C(F)F ZINC000449364221 1032478735 /nfs/dbraw/zinc/47/87/35/1032478735.db2.gz RMZWFILNLDMYQK-HNNXBMFYSA-N 1 2 336.382 3.803 20 0 EHADLO C[C@H]1CCc2nc(C[NH2+]Cc3cccc(C(F)(F)F)n3)sc2C1 ZINC000449401590 1032524130 /nfs/dbraw/zinc/52/41/30/1032524130.db2.gz NHLOKGOIYUWHOI-JTQLQIEISA-N 1 2 341.402 3.972 20 0 EHADLO CC(C)c1cc(NCc2nnc3n2CCCCC3)nc(C(C)C)[nH+]1 ZINC000090067777 1032556485 /nfs/dbraw/zinc/55/64/85/1032556485.db2.gz ZCOZTOVOPKCXLN-UHFFFAOYSA-N 1 2 328.464 3.653 20 0 EHADLO CC(C)c1cc(N[C@H]2CCN(C(=O)C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000090112304 1032574383 /nfs/dbraw/zinc/57/43/83/1032574383.db2.gz BQYHDSJTGPLLSC-INIZCTEOSA-N 1 2 344.503 3.926 20 0 EHADLO Cc1cc(NC(=O)c2cc(Br)cc3ccccc32)cc[nH+]1 ZINC000592829142 1032583258 /nfs/dbraw/zinc/58/32/58/1032583258.db2.gz WXNHLGHJDFCDPJ-UHFFFAOYSA-N 1 2 341.208 3.980 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]2C(C)C)c(C)c1 ZINC000537278399 1032589063 /nfs/dbraw/zinc/58/90/63/1032589063.db2.gz DXYZFFFHLOWKIW-RBUKOAKNSA-N 1 2 340.471 3.681 20 0 EHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC(C)(C)C ZINC000606191037 1032597021 /nfs/dbraw/zinc/59/70/21/1032597021.db2.gz SZIDUESEZMFMKP-GOSISDBHSA-N 1 2 346.515 3.562 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000669622039 1032598034 /nfs/dbraw/zinc/59/80/34/1032598034.db2.gz CUGACFSMUDHVIO-FUHWJXTLSA-N 1 2 337.467 3.666 20 0 EHADLO CS[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000172392334 1032659059 /nfs/dbraw/zinc/65/90/59/1032659059.db2.gz XZIZWSKRAOQTLJ-SFHVURJKSA-N 1 2 337.448 3.593 20 0 EHADLO c1c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)onc1-c1ccccc1 ZINC000537373963 1032667547 /nfs/dbraw/zinc/66/75/47/1032667547.db2.gz FEWHCQBAXFQREX-LJQANCHMSA-N 1 2 334.419 3.785 20 0 EHADLO c1c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)onc1-c1ccccc1 ZINC000537373963 1032667565 /nfs/dbraw/zinc/66/75/65/1032667565.db2.gz FEWHCQBAXFQREX-LJQANCHMSA-N 1 2 334.419 3.785 20 0 EHADLO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C1 ZINC000188313081 1017123264 /nfs/dbraw/zinc/12/32/64/1017123264.db2.gz INBBBSMTUASNES-KXBFYZLASA-N 1 2 341.455 3.697 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449502827 1032681976 /nfs/dbraw/zinc/68/19/76/1032681976.db2.gz PCHPXCYJLKGBCV-RNCFNFMXSA-N 1 2 334.204 3.584 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1C ZINC000449502827 1032681991 /nfs/dbraw/zinc/68/19/91/1032681991.db2.gz PCHPXCYJLKGBCV-RNCFNFMXSA-N 1 2 334.204 3.584 20 0 EHADLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892721908 1017196030 /nfs/dbraw/zinc/19/60/30/1017196030.db2.gz CJMCUWHMBYAYDN-UHFFFAOYSA-N 1 2 346.500 3.936 20 0 EHADLO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCCn1cc[nH+]c1 ZINC000683458982 1017227605 /nfs/dbraw/zinc/22/76/05/1017227605.db2.gz GEQXZFRMDGRATK-HNNXBMFYSA-N 1 2 339.361 3.782 20 0 EHADLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343839918 1017261310 /nfs/dbraw/zinc/26/13/10/1017261310.db2.gz SFNUVBRCVRNMKK-IJLUTSLNSA-N 1 2 335.439 3.933 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000606449930 1032690805 /nfs/dbraw/zinc/69/08/05/1032690805.db2.gz JURGHEOYBNUHCC-CQSZACIVSA-N 1 2 330.447 3.678 20 0 EHADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000606449930 1032690816 /nfs/dbraw/zinc/69/08/16/1032690816.db2.gz JURGHEOYBNUHCC-CQSZACIVSA-N 1 2 330.447 3.678 20 0 EHADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccncc1Br ZINC000625289784 1017331454 /nfs/dbraw/zinc/33/14/54/1017331454.db2.gz UAIQZCXENRZEFW-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC2CCC1CC2 ZINC000431838966 1017355610 /nfs/dbraw/zinc/35/56/10/1017355610.db2.gz APIYMHNMBITOAA-VJFUWPCTSA-N 1 2 327.472 3.514 20 0 EHADLO Fc1cc(C[NH2+]Cc2cnc(C3CC3)o2)c(F)cc1Br ZINC000628451954 1017372802 /nfs/dbraw/zinc/37/28/02/1017372802.db2.gz FVUXNDNOCZJKEP-UHFFFAOYSA-N 1 2 343.171 3.883 20 0 EHADLO COC[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655723944 1017458588 /nfs/dbraw/zinc/45/85/88/1017458588.db2.gz JPRWXCPTJAVLCF-CABCVRRESA-N 1 2 339.361 3.714 20 0 EHADLO CCc1cccc(Oc2cc(-c3noc(Cn4cc[nH+]c4)n3)ccn2)c1 ZINC000683581224 1017498134 /nfs/dbraw/zinc/49/81/34/1017498134.db2.gz YXBHQWKUTBLNAQ-UHFFFAOYSA-N 1 2 347.378 3.731 20 0 EHADLO FC(F)Oc1ccc(Cl)cc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655743211 1017511939 /nfs/dbraw/zinc/51/19/39/1017511939.db2.gz PJGHOBXFDLLUPT-UHFFFAOYSA-N 1 2 341.789 3.764 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1cccc(Br)c1 ZINC000340413022 1017573839 /nfs/dbraw/zinc/57/38/39/1017573839.db2.gz ZTNBRHNWLFKMFJ-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cccc(Br)c1 ZINC000340413022 1017573845 /nfs/dbraw/zinc/57/38/45/1017573845.db2.gz ZTNBRHNWLFKMFJ-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026344995 1017614606 /nfs/dbraw/zinc/61/46/06/1017614606.db2.gz MRDPWYCUKBGYHE-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026344995 1017614613 /nfs/dbraw/zinc/61/46/13/1017614613.db2.gz MRDPWYCUKBGYHE-SECBINFHSA-N 1 2 344.267 3.909 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc2ccccc2o1 ZINC000655793822 1017623472 /nfs/dbraw/zinc/62/34/72/1017623472.db2.gz DPYIBMYDKDQOES-CRAIPNDOSA-N 1 2 340.427 3.889 20 0 EHADLO C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1(c2ccccc2)CCCC1 ZINC000655794497 1017625543 /nfs/dbraw/zinc/62/55/43/1017625543.db2.gz NXBMCNAZNDWGTE-DOTOQJQBSA-N 1 2 340.471 3.646 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C2CCCC2)cc1 ZINC000655795175 1017627314 /nfs/dbraw/zinc/62/73/14/1017627314.db2.gz YYFNHLZEPWXSAV-SJLPKXTDSA-N 1 2 344.434 3.816 20 0 EHADLO Fc1ccc(C2=CC[C@H]([NH2+]Cc3nnc([C@H]4CCCO4)[nH]3)CC2)cc1 ZINC000655794841 1017628599 /nfs/dbraw/zinc/62/85/99/1017628599.db2.gz SOPLVZJMRSZEAK-DLBZAZTESA-N 1 2 342.418 3.521 20 0 EHADLO Clc1ccc([C@@H]2CC[C@H]([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)C2)cc1 ZINC000655796269 1017630502 /nfs/dbraw/zinc/63/05/02/1017630502.db2.gz DULOSMGCOXYBNQ-KBMXLJTQSA-N 1 2 346.862 3.736 20 0 EHADLO CC(C)(C)C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000655796833 1017635290 /nfs/dbraw/zinc/63/52/90/1017635290.db2.gz JMYOWQCQVYKQLL-JKSUJKDBSA-N 1 2 328.460 3.923 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1ncc(Br)cn1 ZINC000340418765 1017679024 /nfs/dbraw/zinc/67/90/24/1017679024.db2.gz BWJMRTCIDUIPRT-RYUDHWBXSA-N 1 2 349.276 3.717 20 0 EHADLO CCc1c(C(=O)C[N@H+](C)CCc2cccs2)[nH]c(C)c1C(C)=O ZINC000173757241 1017691584 /nfs/dbraw/zinc/69/15/84/1017691584.db2.gz PFIQRRFROUWEKS-UHFFFAOYSA-N 1 2 332.469 3.507 20 0 EHADLO CCc1c(C(=O)C[N@@H+](C)CCc2cccs2)[nH]c(C)c1C(C)=O ZINC000173757241 1017691595 /nfs/dbraw/zinc/69/15/95/1017691595.db2.gz PFIQRRFROUWEKS-UHFFFAOYSA-N 1 2 332.469 3.507 20 0 EHADLO COc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1F ZINC000651962895 1017710603 /nfs/dbraw/zinc/71/06/03/1017710603.db2.gz VVCDSFUAQMPABK-KRWDZBQOSA-N 1 2 339.414 3.641 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000783010862 1017718751 /nfs/dbraw/zinc/71/87/51/1017718751.db2.gz REGXQZVTPJMRFK-IBGZPJMESA-N 1 2 336.391 3.637 20 0 EHADLO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)s1 ZINC000340427288 1017757948 /nfs/dbraw/zinc/75/79/48/1017757948.db2.gz SYXGQGRVZNTOPZ-APPZFPTMSA-N 1 2 341.278 3.724 20 0 EHADLO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000340428668 1017759981 /nfs/dbraw/zinc/75/99/81/1017759981.db2.gz XUBWRSDOYIROQV-YGRLFVJLSA-N 1 2 348.244 3.586 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc2c(c1)COC2 ZINC000340427849 1017761179 /nfs/dbraw/zinc/76/11/79/1017761179.db2.gz UYFSIIONKSRSFW-QWRGUYRKSA-N 1 2 348.244 3.681 20 0 EHADLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000174145609 1017768159 /nfs/dbraw/zinc/76/81/59/1017768159.db2.gz BECLHMKOPCTNNC-SNVBAGLBSA-N 1 2 336.823 3.613 20 0 EHADLO Fc1ccccc1-n1ncc2c1nc[nH+]c2N[C@H]1CCC(F)(F)C1 ZINC000892937935 1017794564 /nfs/dbraw/zinc/79/45/64/1017794564.db2.gz ISXRMPNHVJFRMB-JTQLQIEISA-N 1 2 333.317 3.554 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ncccc1C(F)(F)F ZINC000092254943 1032732934 /nfs/dbraw/zinc/73/29/34/1032732934.db2.gz YNRYMMSETGGSAX-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO CCc1noc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000613674649 1017903570 /nfs/dbraw/zinc/90/35/70/1017903570.db2.gz FBNKDQLAHDHIME-UHFFFAOYSA-N 1 2 326.375 3.542 20 0 EHADLO CCc1noc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000613674649 1017903577 /nfs/dbraw/zinc/90/35/77/1017903577.db2.gz FBNKDQLAHDHIME-UHFFFAOYSA-N 1 2 326.375 3.542 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F ZINC000340462220 1017927970 /nfs/dbraw/zinc/92/79/70/1017927970.db2.gz CXERTWJNLKCMFY-GFCCVEGCSA-N 1 2 341.365 3.930 20 0 EHADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000431846012 1018025938 /nfs/dbraw/zinc/02/59/38/1018025938.db2.gz QRILKOWSROMZOR-VGSWGCGISA-N 1 2 345.446 3.694 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009769 1018050930 /nfs/dbraw/zinc/05/09/30/1018050930.db2.gz MCUFTAHQGVBNRN-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC000580009769 1018050944 /nfs/dbraw/zinc/05/09/44/1018050944.db2.gz MCUFTAHQGVBNRN-TZMCWYRMSA-N 1 2 348.368 3.920 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2cccnc2C)CC1 ZINC000348638671 1018052724 /nfs/dbraw/zinc/05/27/24/1018052724.db2.gz WWTVCOOISWYMTC-UHFFFAOYSA-N 1 2 329.875 3.670 20 0 EHADLO c1coc([C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)c2ccccc2)c1 ZINC000377620809 1018081469 /nfs/dbraw/zinc/08/14/69/1018081469.db2.gz WSNFEVDSUSIBNI-INIZCTEOSA-N 1 2 342.420 3.661 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000548001266 1018107933 /nfs/dbraw/zinc/10/79/33/1018107933.db2.gz SSNRXAPLGITPHW-YJBOKZPZSA-N 1 2 340.471 3.593 20 0 EHADLO C[C@]1(c2ccc(Cl)cc2)C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC001203154529 1018158774 /nfs/dbraw/zinc/15/87/74/1018158774.db2.gz BTGXIOCQMKJPLK-LJQANCHMSA-N 1 2 341.842 3.735 20 0 EHADLO C[C@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC001203154529 1018158782 /nfs/dbraw/zinc/15/87/82/1018158782.db2.gz BTGXIOCQMKJPLK-LJQANCHMSA-N 1 2 341.842 3.735 20 0 EHADLO O=C(CCF)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000893034430 1018228807 /nfs/dbraw/zinc/22/88/07/1018228807.db2.gz VOKTWJIFMGHQAP-CYBMUJFWSA-N 1 2 331.174 3.834 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCCc4sccc4C3)ccc2[nH+]1 ZINC000606570443 1032752152 /nfs/dbraw/zinc/75/21/52/1032752152.db2.gz UHPOVOQOAKRDOW-UHFFFAOYSA-N 1 2 326.425 3.685 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143498450 1018285519 /nfs/dbraw/zinc/28/55/19/1018285519.db2.gz DNZFOIWPXBRYFY-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143498450 1018285531 /nfs/dbraw/zinc/28/55/31/1018285531.db2.gz DNZFOIWPXBRYFY-CYBMUJFWSA-N 1 2 341.398 3.529 20 0 EHADLO CCCOc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000606569811 1032754517 /nfs/dbraw/zinc/75/45/17/1032754517.db2.gz YZAUGMMICFWQAU-UHFFFAOYSA-N 1 2 338.411 3.753 20 0 EHADLO CC[C@H]1CCC[C@@]1(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125407440 1018346162 /nfs/dbraw/zinc/34/61/62/1018346162.db2.gz GPWGYSZREMAPHZ-AZUAARDMSA-N 1 2 325.456 3.764 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H](c1ccccc1)c1cccnc1 ZINC000377812378 1018408132 /nfs/dbraw/zinc/40/81/32/1018408132.db2.gz VWNIVSVKIZTUOT-LJQANCHMSA-N 1 2 343.390 3.640 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000584538907 1018417232 /nfs/dbraw/zinc/41/72/32/1018417232.db2.gz DHZWJROAPZHBQP-ZDUSSCGKSA-N 1 2 347.409 3.842 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000584538907 1018417242 /nfs/dbraw/zinc/41/72/42/1018417242.db2.gz DHZWJROAPZHBQP-ZDUSSCGKSA-N 1 2 347.409 3.842 20 0 EHADLO CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580590 1032763570 /nfs/dbraw/zinc/76/35/70/1032763570.db2.gz VEKCXEUETIBOQO-UHFFFAOYSA-N 1 2 328.803 3.694 20 0 EHADLO CC(C)c1ccccc1OCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580820 1032765053 /nfs/dbraw/zinc/76/50/53/1032765053.db2.gz GDSDVFCKRPSISV-UHFFFAOYSA-N 1 2 338.411 3.658 20 0 EHADLO O=C(N[C@H](c1cccs1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340561915 1018465261 /nfs/dbraw/zinc/46/52/61/1018465261.db2.gz BGPCCAFCKMHBSF-SFHVURJKSA-N 1 2 337.448 3.874 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000092096201 1032767131 /nfs/dbraw/zinc/76/71/31/1032767131.db2.gz DTJIPUDIGKMMGR-KBAYOESNSA-N 1 2 344.480 3.578 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000092096201 1032767145 /nfs/dbraw/zinc/76/71/45/1032767145.db2.gz DTJIPUDIGKMMGR-KBAYOESNSA-N 1 2 344.480 3.578 20 0 EHADLO Cc1ccc(CCCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000340587141 1018595622 /nfs/dbraw/zinc/59/56/22/1018595622.db2.gz CSIZLQCKFRGNEO-UHFFFAOYSA-N 1 2 347.462 3.879 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000683803708 1018639606 /nfs/dbraw/zinc/63/96/06/1018639606.db2.gz YKRJJBURPUXVBG-SFHVURJKSA-N 1 2 348.874 3.798 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000683803708 1018639610 /nfs/dbraw/zinc/63/96/10/1018639610.db2.gz YKRJJBURPUXVBG-SFHVURJKSA-N 1 2 348.874 3.798 20 0 EHADLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171327 1018687763 /nfs/dbraw/zinc/68/77/63/1018687763.db2.gz BJSGNVNLDTUWHM-LLVKDONJSA-N 1 2 340.880 3.638 20 0 EHADLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171327 1018687770 /nfs/dbraw/zinc/68/77/70/1018687770.db2.gz BJSGNVNLDTUWHM-LLVKDONJSA-N 1 2 340.880 3.638 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)cs1 ZINC000593118940 1032779860 /nfs/dbraw/zinc/77/98/60/1032779860.db2.gz XDOTVHTUYLANDH-GFCCVEGCSA-N 1 2 348.443 3.621 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)cs1 ZINC000593118940 1032779876 /nfs/dbraw/zinc/77/98/76/1032779876.db2.gz XDOTVHTUYLANDH-GFCCVEGCSA-N 1 2 348.443 3.621 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052210648 1018764440 /nfs/dbraw/zinc/76/44/40/1018764440.db2.gz VPPLPWSECTYZBV-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052210648 1018764451 /nfs/dbraw/zinc/76/44/51/1018764451.db2.gz VPPLPWSECTYZBV-KRWDZBQOSA-N 1 2 332.831 3.729 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453260 1018814409 /nfs/dbraw/zinc/81/44/09/1018814409.db2.gz QFDYIVIRZZVMLP-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453260 1018814422 /nfs/dbraw/zinc/81/44/22/1018814422.db2.gz QFDYIVIRZZVMLP-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCSC[C@@H]3C3CCC3)n2)c1 ZINC000419361546 1018875895 /nfs/dbraw/zinc/87/58/95/1018875895.db2.gz ARWHNSLIVKDURN-MRXNPFEDSA-N 1 2 347.459 3.517 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCSC[C@@H]3C3CCC3)n2)c1 ZINC000419361546 1018875910 /nfs/dbraw/zinc/87/59/10/1018875910.db2.gz ARWHNSLIVKDURN-MRXNPFEDSA-N 1 2 347.459 3.517 20 0 EHADLO O=C(C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)Nc1ccon1 ZINC000052220547 1018878541 /nfs/dbraw/zinc/87/85/41/1018878541.db2.gz VIKNRWTXLPDFKT-UHFFFAOYSA-N 1 2 340.210 3.585 20 0 EHADLO O=C(C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)Nc1ccon1 ZINC000052220547 1018878560 /nfs/dbraw/zinc/87/85/60/1018878560.db2.gz VIKNRWTXLPDFKT-UHFFFAOYSA-N 1 2 340.210 3.585 20 0 EHADLO Cc1cc(CNC(=O)NCC2(Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000580300014 1018954852 /nfs/dbraw/zinc/95/48/52/1018954852.db2.gz YHGVCYXQPRSRJX-UHFFFAOYSA-N 1 2 341.430 3.660 20 0 EHADLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2n1C ZINC000175926138 1018997768 /nfs/dbraw/zinc/99/77/68/1018997768.db2.gz IAPRKKDXZPKLGD-AWEZNQCLSA-N 1 2 346.390 3.677 20 0 EHADLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1F)c1cccc(F)c1 ZINC000513121529 1019030256 /nfs/dbraw/zinc/03/02/56/1019030256.db2.gz FHRLYRIOKWPYCM-GOSISDBHSA-N 1 2 337.341 3.672 20 0 EHADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000473504117 1019063724 /nfs/dbraw/zinc/06/37/24/1019063724.db2.gz OHQKFKSZAHHVNB-ZACQAIPSSA-N 1 2 340.471 3.507 20 0 EHADLO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181252 1019082925 /nfs/dbraw/zinc/08/29/25/1019082925.db2.gz KXPJNLMTUSTWCW-BXUZGUMPSA-N 1 2 333.819 3.752 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000606707161 1032806946 /nfs/dbraw/zinc/80/69/46/1032806946.db2.gz KDXYWRKOPRBOLN-YOEHRIQHSA-N 1 2 348.397 3.659 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(F)cn1 ZINC000580353594 1019166059 /nfs/dbraw/zinc/16/60/59/1019166059.db2.gz XOQQKFMJSVMGGF-HXUWFJFHSA-N 1 2 338.430 3.952 20 0 EHADLO CC[C@H]1[C@@H](C)CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000476079847 1032815920 /nfs/dbraw/zinc/81/59/20/1032815920.db2.gz MDZAYPPQXUTTHA-HOCLYGCPSA-N 1 2 331.485 3.523 20 0 EHADLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(C)n1 ZINC001211039858 1019262213 /nfs/dbraw/zinc/26/22/13/1019262213.db2.gz PRWKAAYOMZFOKB-UHFFFAOYSA-N 1 2 330.388 3.884 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000052803596 1019265679 /nfs/dbraw/zinc/26/56/79/1019265679.db2.gz PESCWUUFUFZVIW-MRXNPFEDSA-N 1 2 344.484 3.835 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000052803596 1019265687 /nfs/dbraw/zinc/26/56/87/1019265687.db2.gz PESCWUUFUFZVIW-MRXNPFEDSA-N 1 2 344.484 3.835 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)on1 ZINC000052821714 1019278215 /nfs/dbraw/zinc/27/82/15/1019278215.db2.gz MLOYMQSEHKTSSS-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)on1 ZINC000052821714 1019278224 /nfs/dbraw/zinc/27/82/24/1019278224.db2.gz MLOYMQSEHKTSSS-OAHLLOKOSA-N 1 2 333.819 3.720 20 0 EHADLO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729340423 1019297667 /nfs/dbraw/zinc/29/76/67/1019297667.db2.gz GBWLIDMMGYAQOE-CZUORRHYSA-N 1 2 349.862 3.535 20 0 EHADLO C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729340419 1019298609 /nfs/dbraw/zinc/29/86/09/1019298609.db2.gz GBWLIDMMGYAQOE-BBRMVZONSA-N 1 2 349.862 3.535 20 0 EHADLO c1ccc([C@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccn2)cc1 ZINC000054152888 1019383469 /nfs/dbraw/zinc/38/34/69/1019383469.db2.gz AIMNKGRTCOCTNZ-FQEVSTJZSA-N 1 2 332.403 3.732 20 0 EHADLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449573070 1032828052 /nfs/dbraw/zinc/82/80/52/1032828052.db2.gz PJBXJHBFRHDYSA-YJBOKZPZSA-N 1 2 335.455 3.988 20 0 EHADLO C[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000430009240 1019456539 /nfs/dbraw/zinc/45/65/39/1019456539.db2.gz WBJRVAAQTRAGSD-UHFFFAOYSA-N 1 2 326.831 3.612 20 0 EHADLO C[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000430009240 1019456548 /nfs/dbraw/zinc/45/65/48/1019456548.db2.gz WBJRVAAQTRAGSD-UHFFFAOYSA-N 1 2 326.831 3.612 20 0 EHADLO CCc1ccccc1NC(=S)NCc1[nH+]cc(C)c(OC)c1C ZINC000050254107 1019471831 /nfs/dbraw/zinc/47/18/31/1019471831.db2.gz JHEJMTKCBTUHOJ-UHFFFAOYSA-N 1 2 329.469 3.756 20 0 EHADLO CCCOc1c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cccc1OCC ZINC000449575049 1032834361 /nfs/dbraw/zinc/83/43/61/1032834361.db2.gz WTPIJBPPKYSOJO-ZBFHGGJFSA-N 1 2 329.444 3.866 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000580501140 1019501064 /nfs/dbraw/zinc/50/10/64/1019501064.db2.gz PVFFUSTWLVBGIC-WMZOPIPTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000580501140 1019501080 /nfs/dbraw/zinc/50/10/80/1019501080.db2.gz PVFFUSTWLVBGIC-WMZOPIPTSA-N 1 2 348.874 3.620 20 0 EHADLO Cc1ccc([C@@H](CCn2cncn2)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000275903093 1019555659 /nfs/dbraw/zinc/55/56/59/1019555659.db2.gz SPPVGZOPAGIWTM-HXUWFJFHSA-N 1 2 335.455 3.896 20 0 EHADLO CC1([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)COC1 ZINC000639382468 1019644805 /nfs/dbraw/zinc/64/48/05/1019644805.db2.gz QULQOZFOPSJPBN-UHFFFAOYSA-N 1 2 328.359 3.707 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)s1 ZINC000639391396 1019719689 /nfs/dbraw/zinc/71/96/89/1019719689.db2.gz BUIVCOWQEDPASS-CQSZACIVSA-N 1 2 327.515 3.554 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)s1 ZINC000639391396 1019719712 /nfs/dbraw/zinc/71/97/12/1019719712.db2.gz BUIVCOWQEDPASS-CQSZACIVSA-N 1 2 327.515 3.554 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000656262099 1019752554 /nfs/dbraw/zinc/75/25/54/1019752554.db2.gz IJCMZEWHGKUHKM-LEWJYISDSA-N 1 2 337.467 3.633 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000656262099 1019752570 /nfs/dbraw/zinc/75/25/70/1019752570.db2.gz IJCMZEWHGKUHKM-LEWJYISDSA-N 1 2 337.467 3.633 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2cncc(Br)c2)c(F)c1F ZINC000430022620 1019784621 /nfs/dbraw/zinc/78/46/21/1019784621.db2.gz VFFUBPHGMDBOCO-UHFFFAOYSA-N 1 2 349.125 3.690 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606836636 1032858593 /nfs/dbraw/zinc/85/85/93/1032858593.db2.gz LLJDSEMWPSNINU-NRFANRHFSA-N 1 2 336.479 3.633 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606841802 1032860674 /nfs/dbraw/zinc/86/06/74/1032860674.db2.gz LNNDUKAVHIJEKH-OALUTQOASA-N 1 2 325.456 3.562 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCSc2ccccc2F)c1C ZINC000050448767 1019929785 /nfs/dbraw/zinc/92/97/85/1019929785.db2.gz PRHPTOQCRYFYOP-UHFFFAOYSA-N 1 2 348.443 3.645 20 0 EHADLO CC(=O)Nc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000340762422 1019963349 /nfs/dbraw/zinc/96/33/49/1019963349.db2.gz YBHRVRGHEQZIQE-GOSISDBHSA-N 1 2 348.406 3.529 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nc(N)c3ccccc3n1)[C@@H]2C ZINC000340771295 1019965052 /nfs/dbraw/zinc/96/50/52/1019965052.db2.gz CCQYZCMSYSXWKG-UONOGXRCSA-N 1 2 348.450 3.559 20 0 EHADLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nc(N)c3ccccc3n1)[C@@H]2C ZINC000340771295 1019965063 /nfs/dbraw/zinc/96/50/63/1019965063.db2.gz CCQYZCMSYSXWKG-UONOGXRCSA-N 1 2 348.450 3.559 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2C1 ZINC000428708779 1032866210 /nfs/dbraw/zinc/86/62/10/1032866210.db2.gz KSBGFBKPTDXXRT-UHFFFAOYSA-N 1 2 348.855 3.949 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2C1 ZINC000428708779 1032866226 /nfs/dbraw/zinc/86/62/26/1032866226.db2.gz KSBGFBKPTDXXRT-UHFFFAOYSA-N 1 2 348.855 3.949 20 0 EHADLO CCSCc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345169915 1020006067 /nfs/dbraw/zinc/00/60/67/1020006067.db2.gz VLSJPZCCVGHWLV-QGZVFWFLSA-N 1 2 342.464 3.628 20 0 EHADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c2ccccn2)cc1 ZINC000280065856 1020022238 /nfs/dbraw/zinc/02/22/38/1020022238.db2.gz MXAHWHOXIQRBKC-NRFANRHFSA-N 1 2 339.483 3.714 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000280067497 1020024160 /nfs/dbraw/zinc/02/41/60/1020024160.db2.gz YWLZQFXTSSHAFH-JTQLQIEISA-N 1 2 349.406 3.904 20 0 EHADLO Cc1ccc2c(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)csc2c1 ZINC000280066783 1020024507 /nfs/dbraw/zinc/02/45/07/1020024507.db2.gz PHXTZDKEOPPWGO-UHFFFAOYSA-N 1 2 325.437 3.953 20 0 EHADLO COCc1nc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cs1 ZINC000345174788 1020026603 /nfs/dbraw/zinc/02/66/03/1020026603.db2.gz NYTPJSCJUCBRAD-UHFFFAOYSA-N 1 2 348.468 3.535 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000345177766 1020028387 /nfs/dbraw/zinc/02/83/87/1020028387.db2.gz IHQDXTJNEWDDLD-GFCCVEGCSA-N 1 2 341.440 3.525 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cs1 ZINC000048047723 1020046017 /nfs/dbraw/zinc/04/60/17/1020046017.db2.gz XMVRPDYKIURAFP-HNNXBMFYSA-N 1 2 349.544 3.737 20 0 EHADLO Cc1cccc2c1ncnc2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340809654 1020093736 /nfs/dbraw/zinc/09/37/36/1020093736.db2.gz YFGXYKDRBWQTTC-UHFFFAOYSA-N 1 2 335.455 3.832 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(F)c2Cl)CCN1 ZINC000093170214 1032880022 /nfs/dbraw/zinc/88/00/22/1032880022.db2.gz DMWXKGVCDRKFHS-INIZCTEOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(F)c2Cl)CCN1 ZINC000093170214 1032880037 /nfs/dbraw/zinc/88/00/37/1032880037.db2.gz DMWXKGVCDRKFHS-INIZCTEOSA-N 1 2 332.806 3.542 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cnn1C(C)(C)C ZINC000345318362 1020165470 /nfs/dbraw/zinc/16/54/70/1020165470.db2.gz VOKTXRHLMUAOHQ-NSHDSACASA-N 1 2 343.397 3.556 20 0 EHADLO CCCc1ncc(C[NH2+]Cc2ccc(Br)cc2OC)o1 ZINC000449612828 1032882298 /nfs/dbraw/zinc/88/22/98/1032882298.db2.gz OVCUKNCSEBKZED-UHFFFAOYSA-N 1 2 339.233 3.688 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)ccn12 ZINC000580901026 1020205897 /nfs/dbraw/zinc/20/58/97/1020205897.db2.gz IADILUCZNHGZCK-IBGZPJMESA-N 1 2 331.419 3.935 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1)[NH+]1CCOCC1 ZINC000345386566 1020220079 /nfs/dbraw/zinc/22/00/79/1020220079.db2.gz WULVKKCBAAQWPC-AWEZNQCLSA-N 1 2 330.472 3.701 20 0 EHADLO COc1ncc(Nc2cc[nH+]c3ccc(Br)cc23)cc1F ZINC001203401070 1020221791 /nfs/dbraw/zinc/22/17/91/1020221791.db2.gz ROJSUGKENGGFIG-UHFFFAOYSA-N 1 2 348.175 3.706 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606896968 1032888919 /nfs/dbraw/zinc/88/89/19/1032888919.db2.gz WBSLOLSNWMOGSQ-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606896968 1032888934 /nfs/dbraw/zinc/88/89/34/1032888934.db2.gz WBSLOLSNWMOGSQ-OAHLLOKOSA-N 1 2 342.870 3.918 20 0 EHADLO CC[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCC(C)CC1 ZINC000345460261 1020297418 /nfs/dbraw/zinc/29/74/18/1020297418.db2.gz PKIZOICQZYRTIZ-VHZYLWGESA-N 1 2 330.472 3.914 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(F)c1 ZINC000580955378 1020307414 /nfs/dbraw/zinc/30/74/14/1020307414.db2.gz ZCEDXEKRCAALSO-NPMABZOXSA-N 1 2 335.444 3.765 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(F)c1 ZINC000580955378 1020307424 /nfs/dbraw/zinc/30/74/24/1020307424.db2.gz ZCEDXEKRCAALSO-NPMABZOXSA-N 1 2 335.444 3.765 20 0 EHADLO O=C(C/C=C\c1ccccc1F)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000255928612 1020322700 /nfs/dbraw/zinc/32/27/00/1020322700.db2.gz BPRPKZWLJLGIBV-ALCCZGGFSA-N 1 2 339.414 3.541 20 0 EHADLO C[C@H](CCO)[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000093303300 1032893468 /nfs/dbraw/zinc/89/34/68/1032893468.db2.gz KKFUTVLFZMTTQY-GFCCVEGCSA-N 1 2 344.402 3.935 20 0 EHADLO C[C@H](CCO)[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000093303300 1032893485 /nfs/dbraw/zinc/89/34/85/1032893485.db2.gz KKFUTVLFZMTTQY-GFCCVEGCSA-N 1 2 344.402 3.935 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1OC(F)(F)F ZINC000280413601 1020373431 /nfs/dbraw/zinc/37/34/31/1020373431.db2.gz YQVJAMHQRKXISB-CQSZACIVSA-N 1 2 329.293 3.548 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000255959892 1020403341 /nfs/dbraw/zinc/40/33/41/1020403341.db2.gz XNZVSCZXUGZVQV-KUHUBIRLSA-N 1 2 332.419 3.925 20 0 EHADLO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000255959892 1020403347 /nfs/dbraw/zinc/40/33/47/1020403347.db2.gz XNZVSCZXUGZVQV-KUHUBIRLSA-N 1 2 332.419 3.925 20 0 EHADLO C[C@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000128146390 1020406033 /nfs/dbraw/zinc/40/60/33/1020406033.db2.gz OVPAXRILSGMQQS-ZDUSSCGKSA-N 1 2 327.359 3.639 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([NH2+][C@@H](C)c3ncccc3F)C2=O)c1 ZINC000528824435 1032899393 /nfs/dbraw/zinc/89/93/93/1032899393.db2.gz BEXHLKHBHSZFCC-XJKSGUPXSA-N 1 2 345.393 3.514 20 0 EHADLO COc1ccc(-c2noc(C[N@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000048273546 1020493124 /nfs/dbraw/zinc/49/31/24/1020493124.db2.gz CQACRSKSRNEUMM-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO COc1ccc(-c2noc(C[N@@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000048273546 1020493128 /nfs/dbraw/zinc/49/31/28/1020493128.db2.gz CQACRSKSRNEUMM-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO C/C(=C/c1ccc(C)cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000588400635 1020513280 /nfs/dbraw/zinc/51/32/80/1020513280.db2.gz GIRBGEZMJGOFQP-NZCCEVMUSA-N 1 2 349.478 3.699 20 0 EHADLO CCC(CC)(CO)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000581259765 1020598868 /nfs/dbraw/zinc/59/88/68/1020598868.db2.gz UHXXXBGZNPFFDW-UHFFFAOYSA-N 1 2 341.455 3.624 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340936329 1020651699 /nfs/dbraw/zinc/65/16/99/1020651699.db2.gz OTUMEIPFXNXVKP-JKSUJKDBSA-N 1 2 328.460 3.555 20 0 EHADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cs1 ZINC000528846189 1032923633 /nfs/dbraw/zinc/92/36/33/1032923633.db2.gz HJUIOEBNHQOYRM-SJCJKPOMSA-N 1 2 347.484 3.885 20 0 EHADLO C[C@H](CC(=O)N(C)c1nc2c(cccc2Cl)s1)n1cc[nH+]c1 ZINC000581373267 1020758443 /nfs/dbraw/zinc/75/84/43/1020758443.db2.gz PGHAMFQICDVYNH-SNVBAGLBSA-N 1 2 334.832 3.760 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CC=CCC1 ZINC000933243264 1020801276 /nfs/dbraw/zinc/80/12/76/1020801276.db2.gz JLQUIIHVQSCPFU-QGZVFWFLSA-N 1 2 328.456 3.512 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684230150 1020827403 /nfs/dbraw/zinc/82/74/03/1020827403.db2.gz FYSSLJQKNLNRJX-GDBMZVCRSA-N 1 2 338.386 3.931 20 0 EHADLO Cc1ccc(CN(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341005621 1020828549 /nfs/dbraw/zinc/82/85/49/1020828549.db2.gz WJAYXEAIGUDPAC-LJQANCHMSA-N 1 2 333.435 3.899 20 0 EHADLO COc1cccc(C=C2CC[NH+](CN3C[C@H](C(C)C)CC3=O)CC2)c1 ZINC000760409042 1032937232 /nfs/dbraw/zinc/93/72/32/1032937232.db2.gz RWFYLHIADJXOQP-LJQANCHMSA-N 1 2 342.483 3.636 20 0 EHADLO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)on1 ZINC000602505208 1032938642 /nfs/dbraw/zinc/93/86/42/1032938642.db2.gz UKLBTLVPNGOVMT-SSDOTTSWSA-N 1 2 347.173 3.758 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3ccc(O)cc3)n2)C1 ZINC000276274148 1020986855 /nfs/dbraw/zinc/98/68/55/1020986855.db2.gz ZTWIAWKJSXCEBZ-GFCCVEGCSA-N 1 2 346.456 3.725 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3ccc(O)cc3)n2)C1 ZINC000276274148 1020986862 /nfs/dbraw/zinc/98/68/62/1020986862.db2.gz ZTWIAWKJSXCEBZ-GFCCVEGCSA-N 1 2 346.456 3.725 20 0 EHADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001143394608 1021010075 /nfs/dbraw/zinc/01/00/75/1021010075.db2.gz JHYKYCPGQZEWNG-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001143394608 1021010077 /nfs/dbraw/zinc/01/00/77/1021010077.db2.gz JHYKYCPGQZEWNG-INIZCTEOSA-N 1 2 333.378 3.765 20 0 EHADLO CCn1cc(CC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cn1 ZINC000276341956 1021056788 /nfs/dbraw/zinc/05/67/88/1021056788.db2.gz UDWPWFJKJBGUFQ-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO CCn1cc(CC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cn1 ZINC000276341956 1021056795 /nfs/dbraw/zinc/05/67/95/1021056795.db2.gz UDWPWFJKJBGUFQ-KDOFPFPSSA-N 1 2 333.863 3.561 20 0 EHADLO Cc1cccc2c1cc[nH+]c2N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581545475 1021073532 /nfs/dbraw/zinc/07/35/32/1021073532.db2.gz NYPUEHYEJIFRMH-CTNGQTDRSA-N 1 2 336.410 3.848 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000073819762 1021076406 /nfs/dbraw/zinc/07/64/06/1021076406.db2.gz QUEYWCYZDAGEIP-UHFFFAOYSA-N 1 2 341.798 3.754 20 0 EHADLO C[N@H+](CCCc1c(F)cccc1F)Cc1cnn(-c2ccccc2)n1 ZINC001167473982 1021154401 /nfs/dbraw/zinc/15/44/01/1021154401.db2.gz OIGLXVKPBDWSFI-UHFFFAOYSA-N 1 2 342.393 3.610 20 0 EHADLO C[N@@H+](CCCc1c(F)cccc1F)Cc1cnn(-c2ccccc2)n1 ZINC001167473982 1021154403 /nfs/dbraw/zinc/15/44/03/1021154403.db2.gz OIGLXVKPBDWSFI-UHFFFAOYSA-N 1 2 342.393 3.610 20 0 EHADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681124 1021159548 /nfs/dbraw/zinc/15/95/48/1021159548.db2.gz AELYWBSSWXXVMW-QWHCGFSZSA-N 1 2 331.485 3.946 20 0 EHADLO C[C@@H](CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)n1cc[nH+]c1 ZINC000519600625 1021205670 /nfs/dbraw/zinc/20/56/70/1021205670.db2.gz BYWOCPVZTKOSDE-LBPRGKRZSA-N 1 2 343.324 3.564 20 0 EHADLO C[C@H]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516242318 1021212151 /nfs/dbraw/zinc/21/21/51/1021212151.db2.gz DHDSFFGEUMHJKV-DLBZAZTESA-N 1 2 344.503 3.697 20 0 EHADLO COC(=O)c1cc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000602527755 1032961994 /nfs/dbraw/zinc/96/19/94/1032961994.db2.gz KUFUDVVOUXAVKX-UHFFFAOYSA-N 1 2 341.194 3.547 20 0 EHADLO COc1ccc(-c2nn(C[NH+]3CCCCCCC3)c(=S)n2C)cc1 ZINC000007075003 1021233554 /nfs/dbraw/zinc/23/35/54/1021233554.db2.gz OXZJTQSOGYOUMM-UHFFFAOYSA-N 1 2 346.500 3.850 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 ZINC000341267878 1021240041 /nfs/dbraw/zinc/24/00/41/1021240041.db2.gz BGXLDQFQBTYOMV-STQMWFEESA-N 1 2 337.379 3.877 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867892 1021252302 /nfs/dbraw/zinc/25/23/02/1021252302.db2.gz JMJYEDGYRNMSRS-UHFFFAOYSA-N 1 2 341.455 3.596 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867892 1021252307 /nfs/dbraw/zinc/25/23/07/1021252307.db2.gz JMJYEDGYRNMSRS-UHFFFAOYSA-N 1 2 341.455 3.596 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000516297957 1021267825 /nfs/dbraw/zinc/26/78/25/1021267825.db2.gz UTXHZOJYQXLDOC-HNAYVOBHSA-N 1 2 329.419 3.597 20 0 EHADLO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(F)cc(Cl)c1O ZINC000436854636 1021279703 /nfs/dbraw/zinc/27/97/03/1021279703.db2.gz OBPVBWIIAQUOMZ-UHFFFAOYSA-N 1 2 344.858 3.625 20 0 EHADLO Cc1c[nH+]c(CNc2cc(Br)cc(OC(C)C)c2)n1C ZINC000341281746 1021293007 /nfs/dbraw/zinc/29/30/07/1021293007.db2.gz MKLFLZOMDLAKQM-UHFFFAOYSA-N 1 2 338.249 3.890 20 0 EHADLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000436872025 1021312842 /nfs/dbraw/zinc/31/28/42/1021312842.db2.gz PDSXQNMDARUCIJ-UHFFFAOYSA-N 1 2 327.428 3.567 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCC[C@]2(C1)Nc1ccc(Cl)cc1C(=O)N2C ZINC000581654477 1021313525 /nfs/dbraw/zinc/31/35/25/1021313525.db2.gz VVYBRPSQIJSSMZ-XIKOKIGWSA-N 1 2 344.846 3.625 20 0 EHADLO c1c(CNc2[nH+]c3ccccc3n2-c2ccccc2)nnn1C1CCC1 ZINC000656772581 1021314796 /nfs/dbraw/zinc/31/47/96/1021314796.db2.gz JGDYPCSNOHNJKH-UHFFFAOYSA-N 1 2 344.422 3.954 20 0 EHADLO CC(C)C[C@@H](c1nc(Cc2ccc3c(c2)CCC3)no1)n1cc[nH+]c1 ZINC000923975501 1021369238 /nfs/dbraw/zinc/36/92/38/1021369238.db2.gz CAHYMDLMYKKINT-SFHVURJKSA-N 1 2 336.439 3.981 20 0 EHADLO CCOc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c(F)c1 ZINC001143579429 1021416820 /nfs/dbraw/zinc/41/68/20/1021416820.db2.gz NEVPDKXUHRVTJT-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO CCOc1cc(F)c(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c(F)c1 ZINC001143579429 1021416825 /nfs/dbraw/zinc/41/68/25/1021416825.db2.gz NEVPDKXUHRVTJT-CQSZACIVSA-N 1 2 348.393 3.720 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(C(C)C)c(O)cc3C)[nH+]c12 ZINC000518676136 1021426920 /nfs/dbraw/zinc/42/69/20/1021426920.db2.gz FSLYOTZCUXNAHL-UHFFFAOYSA-N 1 2 337.423 3.961 20 0 EHADLO COc1cccc([C@H](C)N2CC[NH+](Cc3c(C)nsc3C)CC2)c1 ZINC000516446422 1021434585 /nfs/dbraw/zinc/43/45/85/1021434585.db2.gz WPYSQZUESNJJLH-HNNXBMFYSA-N 1 2 345.512 3.647 20 0 EHADLO CO[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)C1CCCC1 ZINC000664753792 1021471626 /nfs/dbraw/zinc/47/16/26/1021471626.db2.gz FDJLWNUIDOFSJF-QGZVFWFLSA-N 1 2 338.411 3.859 20 0 EHADLO CCCc1csc(C[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000426396281 1021471859 /nfs/dbraw/zinc/47/18/59/1021471859.db2.gz NCOWFBRPKBEHPP-CYBMUJFWSA-N 1 2 334.489 3.982 20 0 EHADLO CCCc1csc(C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000426396281 1021471862 /nfs/dbraw/zinc/47/18/62/1021471862.db2.gz NCOWFBRPKBEHPP-CYBMUJFWSA-N 1 2 334.489 3.982 20 0 EHADLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077877851 1021486672 /nfs/dbraw/zinc/48/66/72/1021486672.db2.gz LMPIFQZVDDNMBQ-CWRNSKLLSA-N 1 2 344.846 3.508 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(C(=O)NC2CCCC2)cc1 ZINC000518755579 1021500831 /nfs/dbraw/zinc/50/08/31/1021500831.db2.gz JQXDKIIVNUUBGU-UHFFFAOYSA-N 1 2 326.444 3.749 20 0 EHADLO CCCCC[C@@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664605067 1021535962 /nfs/dbraw/zinc/53/59/62/1021535962.db2.gz JTQJVXWOBXYIAG-QGZVFWFLSA-N 1 2 346.519 3.767 20 0 EHADLO CCCCC[C@@H]1CCCCN1c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664605067 1021535967 /nfs/dbraw/zinc/53/59/67/1021535967.db2.gz JTQJVXWOBXYIAG-QGZVFWFLSA-N 1 2 346.519 3.767 20 0 EHADLO Cc1nc2ccc(C[N@@H+]3CCO[C@@H](c4cccc(O)c4)C3)cc2s1 ZINC000426423636 1021547535 /nfs/dbraw/zinc/54/75/35/1021547535.db2.gz ZMPSBPHPGZZFCU-GOSISDBHSA-N 1 2 340.448 3.884 20 0 EHADLO Cc1nc2ccc(C[N@H+]3CCO[C@@H](c4cccc(O)c4)C3)cc2s1 ZINC000426423636 1021547541 /nfs/dbraw/zinc/54/75/41/1021547541.db2.gz ZMPSBPHPGZZFCU-GOSISDBHSA-N 1 2 340.448 3.884 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000509610631 1021556469 /nfs/dbraw/zinc/55/64/69/1021556469.db2.gz WQVUFILADMIQSR-CPFIRTDXSA-N 1 2 333.439 3.826 20 0 EHADLO Cc1c2cc(C)c(C)cc2sc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000581705787 1021572876 /nfs/dbraw/zinc/57/28/76/1021572876.db2.gz TZHYLYYIAJWXKP-UHFFFAOYSA-N 1 2 325.437 3.720 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@H+]3CCOC[C@H]3C)oc21 ZINC000440600044 1021635615 /nfs/dbraw/zinc/63/56/15/1021635615.db2.gz WSSOTSWUWMCPFN-LLVKDONJSA-N 1 2 326.849 3.602 20 0 EHADLO Cc1cc(Cl)cc2nc(SCC[N@@H+]3CCOC[C@H]3C)oc21 ZINC000440600044 1021635621 /nfs/dbraw/zinc/63/56/21/1021635621.db2.gz WSSOTSWUWMCPFN-LLVKDONJSA-N 1 2 326.849 3.602 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519729492 1021638366 /nfs/dbraw/zinc/63/83/66/1021638366.db2.gz VYJOUGNBWBAQBC-KRWDZBQOSA-N 1 2 331.456 3.663 20 0 EHADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519729492 1021638369 /nfs/dbraw/zinc/63/83/69/1021638369.db2.gz VYJOUGNBWBAQBC-KRWDZBQOSA-N 1 2 331.456 3.663 20 0 EHADLO CCCN(Cc1ccccc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000505993339 1021647456 /nfs/dbraw/zinc/64/74/56/1021647456.db2.gz VVYREIRKKZLATM-IEBWSBKVSA-N 1 2 337.467 3.593 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccco2)cc1 ZINC000015306675 1021702562 /nfs/dbraw/zinc/70/25/62/1021702562.db2.gz XAUBAPIKFKRMMR-MRXNPFEDSA-N 1 2 328.456 3.787 20 0 EHADLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccco2)cc1 ZINC000015306675 1021702577 /nfs/dbraw/zinc/70/25/77/1021702577.db2.gz XAUBAPIKFKRMMR-MRXNPFEDSA-N 1 2 328.456 3.787 20 0 EHADLO Cc1c[nH+]c(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)n1C ZINC000341399065 1021704965 /nfs/dbraw/zinc/70/49/65/1021704965.db2.gz UQNJOVKWFGHNFW-UHFFFAOYSA-N 1 2 335.333 3.545 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000897619672 1032998014 /nfs/dbraw/zinc/99/80/14/1032998014.db2.gz SRNLAWQUIGXJPF-WBVHZDCISA-N 1 2 329.419 3.518 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000518995650 1021742649 /nfs/dbraw/zinc/74/26/49/1021742649.db2.gz DSAVJYIQGJINHU-SJCJKPOMSA-N 1 2 346.862 3.749 20 0 EHADLO CSCC[C@H](C)N(C)c1cc(N(C)[C@@H](C)CCSC)[nH+]cn1 ZINC000439849804 1021768065 /nfs/dbraw/zinc/76/80/65/1021768065.db2.gz ZQZPQTSWEQHACH-KBPBESRZSA-N 1 2 342.578 3.632 20 0 EHADLO C[NH+]1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000516826966 1021773254 /nfs/dbraw/zinc/77/32/54/1021773254.db2.gz JGCDIHHMYXKUQM-UHFFFAOYSA-N 1 2 348.805 3.659 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000440780354 1021774601 /nfs/dbraw/zinc/77/46/01/1021774601.db2.gz PTWMARMJYVQVMX-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO COC(=O)CC1(C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000440780354 1021774619 /nfs/dbraw/zinc/77/46/19/1021774619.db2.gz PTWMARMJYVQVMX-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO CC(C)([NH2+]Cc1ncnn1CCF)c1ccc(Cl)c(Cl)c1 ZINC000440785949 1021778234 /nfs/dbraw/zinc/77/82/34/1021778234.db2.gz RKDKALCRJHQGEF-UHFFFAOYSA-N 1 2 331.222 3.579 20 0 EHADLO O=C(C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1)N1CCCC1 ZINC000341415268 1021794434 /nfs/dbraw/zinc/79/44/34/1021794434.db2.gz CFKROMQSNSZWPW-UHFFFAOYSA-N 1 2 343.858 3.727 20 0 EHADLO Cc1cccc2cc(C(=O)NCC[N@@H+]3CCc4sccc4C3)oc21 ZINC000140838042 1033008855 /nfs/dbraw/zinc/00/88/55/1033008855.db2.gz ACCZYRYELUPVJR-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO Cc1cccc2cc(C(=O)NCC[N@H+]3CCc4sccc4C3)oc21 ZINC000140838042 1033008866 /nfs/dbraw/zinc/00/88/66/1033008866.db2.gz ACCZYRYELUPVJR-UHFFFAOYSA-N 1 2 340.448 3.591 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000440892237 1021850162 /nfs/dbraw/zinc/85/01/62/1021850162.db2.gz SLAUIYXVXRFDQG-CQSZACIVSA-N 1 2 346.858 3.817 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000440892237 1021850175 /nfs/dbraw/zinc/85/01/75/1021850175.db2.gz SLAUIYXVXRFDQG-CQSZACIVSA-N 1 2 346.858 3.817 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000440906228 1021859230 /nfs/dbraw/zinc/85/92/30/1021859230.db2.gz SQKUDRMWPIWYES-NUJGCVRESA-N 1 2 330.472 3.986 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000440906228 1021859244 /nfs/dbraw/zinc/85/92/44/1021859244.db2.gz SQKUDRMWPIWYES-NUJGCVRESA-N 1 2 330.472 3.986 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(Cl)c(Cl)cc1F ZINC000439957839 1021861148 /nfs/dbraw/zinc/86/11/48/1021861148.db2.gz KVVOHHBMGINRTF-UHFFFAOYSA-N 1 2 331.178 3.541 20 0 EHADLO C[C@H](NC(=O)N(C)CCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000341438587 1021897843 /nfs/dbraw/zinc/89/78/43/1021897843.db2.gz GHKFVDHJDUJNDP-LBPRGKRZSA-N 1 2 340.349 3.527 20 0 EHADLO C[C@@H](NC(=O)N(C)CCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000341438586 1021898387 /nfs/dbraw/zinc/89/83/87/1021898387.db2.gz GHKFVDHJDUJNDP-GFCCVEGCSA-N 1 2 340.349 3.527 20 0 EHADLO Cc1cc(NCCCC(=O)Nc2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000341456083 1021955187 /nfs/dbraw/zinc/95/51/87/1021955187.db2.gz LIMIBFXZOJYUMV-UHFFFAOYSA-N 1 2 344.846 3.569 20 0 EHADLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000164835094 1021967488 /nfs/dbraw/zinc/96/74/88/1021967488.db2.gz NUXNPNVHLOBPMH-QGZVFWFLSA-N 1 2 337.471 3.635 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2ncc(C)cn2)cc1OC ZINC000341462044 1021969432 /nfs/dbraw/zinc/96/94/32/1021969432.db2.gz UNGHNGROMZUGPT-HNNXBMFYSA-N 1 2 329.444 3.823 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000593723604 1033020882 /nfs/dbraw/zinc/02/08/82/1033020882.db2.gz ZTPJAYSFVMBVBN-XOBRGWDASA-N 1 2 343.471 3.668 20 0 EHADLO C[C@H](c1cccc(NC(=O)CC2=CCCCC2)c1)[NH+]1CCOCC1 ZINC000519295564 1021995409 /nfs/dbraw/zinc/99/54/09/1021995409.db2.gz FCKWFCXHGWRKFH-MRXNPFEDSA-N 1 2 328.456 3.909 20 0 EHADLO Cc1cc(NCc2nc3cc(Cl)ccc3s2)nc(C2CC2)[nH+]1 ZINC000341468756 1022003040 /nfs/dbraw/zinc/00/30/40/1022003040.db2.gz VWDDHZFSSIDYBN-UHFFFAOYSA-N 1 2 330.844 3.960 20 0 EHADLO CCCN(C[C@H]1COc2ccccc2O1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341470724 1022012390 /nfs/dbraw/zinc/01/23/90/1022012390.db2.gz GWTDRVQBGFMZQW-INIZCTEOSA-N 1 2 339.439 3.719 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3n[nH]c4ccccc43)c2)[nH+]c1C ZINC000142520242 1033023037 /nfs/dbraw/zinc/02/30/37/1033023037.db2.gz VRMXGPKEOCSXBJ-UHFFFAOYSA-N 1 2 331.379 3.822 20 0 EHADLO COCCSc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000341515672 1022034858 /nfs/dbraw/zinc/03/48/58/1022034858.db2.gz XUFBRSCNYJIWBV-CQSZACIVSA-N 1 2 343.496 3.996 20 0 EHADLO CCCCCc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000517119546 1022044558 /nfs/dbraw/zinc/04/45/58/1022044558.db2.gz ZKZSRJRVHXRRAO-SJORKVTESA-N 1 2 347.503 3.650 20 0 EHADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)nc1 ZINC000341508795 1022048057 /nfs/dbraw/zinc/04/80/57/1022048057.db2.gz TXSJDCQFTNZLDM-GFCCVEGCSA-N 1 2 325.334 3.577 20 0 EHADLO COc1ccc(OC)c(CN(c2cc(C)[nH+]c(C3CC3)n2)C2CC2)c1 ZINC000341522982 1022059005 /nfs/dbraw/zinc/05/90/05/1022059005.db2.gz VWTHYHLNFXETMA-UHFFFAOYSA-N 1 2 339.439 3.849 20 0 EHADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000517146609 1022070798 /nfs/dbraw/zinc/07/07/98/1022070798.db2.gz DNGLVXSOAMIGTO-DLBZAZTESA-N 1 2 332.492 3.788 20 0 EHADLO CC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000517175361 1022096803 /nfs/dbraw/zinc/09/68/03/1022096803.db2.gz LUBXOEHSHGDPSY-QGZVFWFLSA-N 1 2 342.487 3.598 20 0 EHADLO CC(C)[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000506134147 1022160052 /nfs/dbraw/zinc/16/00/52/1022160052.db2.gz AIBCVZNZQGMNGV-POAQFYNOSA-N 1 2 337.467 3.667 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000172937628 1033034145 /nfs/dbraw/zinc/03/41/45/1033034145.db2.gz YTACMAIFXOLYDS-UHFFFAOYSA-N 1 2 329.473 3.616 20 0 EHADLO S=c1nc(-c2ccccn2)[nH]n1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172937628 1033034160 /nfs/dbraw/zinc/03/41/60/1033034160.db2.gz YTACMAIFXOLYDS-UHFFFAOYSA-N 1 2 329.473 3.616 20 0 EHADLO CC[C@@H](Nc1ccccc1)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000517287824 1022214989 /nfs/dbraw/zinc/21/49/89/1022214989.db2.gz UCRGVDMKTUBBDE-QGZVFWFLSA-N 1 2 341.455 3.556 20 0 EHADLO COCc1ccccc1C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187725418 1022227269 /nfs/dbraw/zinc/22/72/69/1022227269.db2.gz TZGUQPPJTGGSQF-SFHVURJKSA-N 1 2 325.387 3.574 20 0 EHADLO c1cc(-c2nc(C[NH+]3CCC(Oc4ccccn4)CC3)cs2)co1 ZINC000437897236 1022238188 /nfs/dbraw/zinc/23/81/88/1022238188.db2.gz BUWCPWDVBQRIBP-UHFFFAOYSA-N 1 2 341.436 3.842 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)o1 ZINC000471795414 1022246657 /nfs/dbraw/zinc/24/66/57/1022246657.db2.gz YUSXKNDXQWAWKS-ZDUSSCGKSA-N 1 2 347.484 3.848 20 0 EHADLO Cc1ccc(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)o1 ZINC000471795414 1022246675 /nfs/dbraw/zinc/24/66/75/1022246675.db2.gz YUSXKNDXQWAWKS-ZDUSSCGKSA-N 1 2 347.484 3.848 20 0 EHADLO NC(=[NH2+])N(c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)ncn1 ZINC001167991171 1022299298 /nfs/dbraw/zinc/29/92/98/1022299298.db2.gz BNETYXHOCCEJMG-UHFFFAOYSA-N 1 2 341.777 3.968 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)n1cc[nH+]c1 ZINC000519534489 1022301344 /nfs/dbraw/zinc/30/13/44/1022301344.db2.gz CWFNVVGMQJDMBK-GFCCVEGCSA-N 1 2 347.390 3.567 20 0 EHADLO Fc1ccc2nc(NCc3cc[nH+]c(N4CCSCC4)c3)oc2c1 ZINC000894977252 1022328626 /nfs/dbraw/zinc/32/86/26/1022328626.db2.gz YOAJLNLHSVDDHU-UHFFFAOYSA-N 1 2 344.415 3.527 20 0 EHADLO CC[C@@H]1C[C@]1(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C)c1 ZINC000506175172 1022374494 /nfs/dbraw/zinc/37/44/94/1022374494.db2.gz LBGDUJOUUPLNHL-IIBYNOLFSA-N 1 2 346.434 3.631 20 0 EHADLO Cc1cn2cc(NC(=O)NC[C@@H](C)Sc3ccccc3)ccc2[nH+]1 ZINC000438118952 1022384830 /nfs/dbraw/zinc/38/48/30/1022384830.db2.gz RLOSDYBYXUYUFG-CQSZACIVSA-N 1 2 340.452 3.945 20 0 EHADLO COc1ccc(Br)c(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000128127916 1022413107 /nfs/dbraw/zinc/41/31/07/1022413107.db2.gz ASCODBNDGRWUCL-UHFFFAOYSA-N 1 2 341.274 3.939 20 0 EHADLO CCc1cnc(C[NH2+]Cc2cc(OC)ccc2Br)s1 ZINC000128473549 1022438241 /nfs/dbraw/zinc/43/82/41/1022438241.db2.gz FBVGWJDPPNEFMV-UHFFFAOYSA-N 1 2 341.274 3.766 20 0 EHADLO COc1ccc([C@@H]2CN(c3cc(C)[nH+]c(C4CCC4)n3)CCO2)cc1 ZINC000895030280 1022418513 /nfs/dbraw/zinc/41/85/13/1022418513.db2.gz VXQJQDDSCIOALJ-SFHVURJKSA-N 1 2 339.439 3.639 20 0 EHADLO COC[C@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C)o1 ZINC000156490514 1022419876 /nfs/dbraw/zinc/41/98/76/1022419876.db2.gz AEZMADGLQICQES-LPHOPBHVSA-N 1 2 339.439 3.871 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccnn2C2CCC2)C1 ZINC000894501754 1022430211 /nfs/dbraw/zinc/43/02/11/1022430211.db2.gz XQEGWXLPXGIRII-DOTOQJQBSA-N 1 2 343.496 3.609 20 0 EHADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccnn2C2CCC2)C1 ZINC000894501754 1022430214 /nfs/dbraw/zinc/43/02/14/1022430214.db2.gz XQEGWXLPXGIRII-DOTOQJQBSA-N 1 2 343.496 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(Cl)ccc3N(C)C)[nH+]c12 ZINC000517564153 1022459685 /nfs/dbraw/zinc/45/96/85/1022459685.db2.gz DNFIBDSIOARKFX-UHFFFAOYSA-N 1 2 342.830 3.543 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(OC2CCC2)cc1Cl ZINC000534680838 1022490490 /nfs/dbraw/zinc/49/04/90/1022490490.db2.gz WNIUHIBJVJCYQW-UHFFFAOYSA-N 1 2 347.846 3.678 20 0 EHADLO CC1(C)CN(C(=O)c2scnc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000729460326 1022508128 /nfs/dbraw/zinc/50/81/28/1022508128.db2.gz IUMJNDBVHHXWPH-UHFFFAOYSA-N 1 2 349.887 3.533 20 0 EHADLO CC1(C)CN(C(=O)c2scnc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000729460326 1022508147 /nfs/dbraw/zinc/50/81/47/1022508147.db2.gz IUMJNDBVHHXWPH-UHFFFAOYSA-N 1 2 349.887 3.533 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828005 1022508801 /nfs/dbraw/zinc/50/88/01/1022508801.db2.gz AZIDQVBMIGJEAO-KBAYOESNSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828005 1022508804 /nfs/dbraw/zinc/50/88/04/1022508804.db2.gz AZIDQVBMIGJEAO-KBAYOESNSA-N 1 2 329.488 3.644 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000438299443 1022540241 /nfs/dbraw/zinc/54/02/41/1022540241.db2.gz MAJIGFXWIMSOPN-DNVCBOLYSA-N 1 2 329.415 3.612 20 0 EHADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000438302125 1022542373 /nfs/dbraw/zinc/54/23/73/1022542373.db2.gz HSHGRCOKFBYDGV-DOXZYTNZSA-N 1 2 329.415 3.692 20 0 EHADLO COCCOc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438307668 1022547384 /nfs/dbraw/zinc/54/73/84/1022547384.db2.gz QQHNIMNNZSRKQX-UHFFFAOYSA-N 1 2 337.423 3.569 20 0 EHADLO c1cnn(-c2ccccc2NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438319299 1022560599 /nfs/dbraw/zinc/56/05/99/1022560599.db2.gz WHKIYQXLZCYKAR-UHFFFAOYSA-N 1 2 329.407 3.729 20 0 EHADLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)cc(C)c1OCc1ccccn1 ZINC000894584567 1022591242 /nfs/dbraw/zinc/59/12/42/1022591242.db2.gz WNWVOABSIHPFMQ-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)cc(C)c1OCc1ccccn1 ZINC000894584567 1022591250 /nfs/dbraw/zinc/59/12/50/1022591250.db2.gz WNWVOABSIHPFMQ-UHFFFAOYSA-N 1 2 336.439 3.633 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CCCC3CC3)n2)O1 ZINC000664999843 1022594555 /nfs/dbraw/zinc/59/45/55/1022594555.db2.gz JMRDGIJYUFQWRR-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CCCC3CC3)n2)O1 ZINC000664999843 1022594563 /nfs/dbraw/zinc/59/45/63/1022594563.db2.gz JMRDGIJYUFQWRR-CRAIPNDOSA-N 1 2 341.455 3.764 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000607249437 1033062051 /nfs/dbraw/zinc/06/20/51/1033062051.db2.gz AYCBFMREPMSYHS-HZPDHXFCSA-N 1 2 333.476 3.817 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC000125263911 1022608759 /nfs/dbraw/zinc/60/87/59/1022608759.db2.gz HYNBMFWVWQRMHG-GFCCVEGCSA-N 1 2 333.819 3.527 20 0 EHADLO c1onc(Cc2ccccc2)c1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000550174929 1022647853 /nfs/dbraw/zinc/64/78/53/1022647853.db2.gz XCVINYKERMPFDP-UHFFFAOYSA-N 1 2 334.423 3.873 20 0 EHADLO CC(C)CCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007890 1022674465 /nfs/dbraw/zinc/67/44/65/1022674465.db2.gz NNYZXYLDJZZFTH-RDJZCZTQSA-N 1 2 329.444 3.620 20 0 EHADLO CC(C)CCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665007890 1022674472 /nfs/dbraw/zinc/67/44/72/1022674472.db2.gz NNYZXYLDJZZFTH-RDJZCZTQSA-N 1 2 329.444 3.620 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CC(C)(C)C)n2)O1 ZINC000665007065 1022683420 /nfs/dbraw/zinc/68/34/20/1022683420.db2.gz HZTWTNLWWVWCPW-GDBMZVCRSA-N 1 2 329.444 3.620 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CC(C)(C)C)n2)O1 ZINC000665007065 1022683430 /nfs/dbraw/zinc/68/34/30/1022683430.db2.gz HZTWTNLWWVWCPW-GDBMZVCRSA-N 1 2 329.444 3.620 20 0 EHADLO Cc1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(C)s1 ZINC000345984634 1022712615 /nfs/dbraw/zinc/71/26/15/1022712615.db2.gz NUYYJVCNGXCMPM-UHFFFAOYSA-N 1 2 337.408 3.722 20 0 EHADLO COCC[N@H+](Cc1c(F)cncc1Br)[C@H]1CC[C@@H](C)C1 ZINC000668055417 1022722486 /nfs/dbraw/zinc/72/24/86/1022722486.db2.gz AQVJQTKQDNNNLS-NEPJUHHUSA-N 1 2 345.256 3.620 20 0 EHADLO COCC[N@@H+](Cc1c(F)cncc1Br)[C@H]1CC[C@@H](C)C1 ZINC000668055417 1022722499 /nfs/dbraw/zinc/72/24/99/1022722499.db2.gz AQVJQTKQDNNNLS-NEPJUHHUSA-N 1 2 345.256 3.620 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000506253243 1022725212 /nfs/dbraw/zinc/72/52/12/1022725212.db2.gz HNMRXYNYKJUDPX-UXHICEINSA-N 1 2 346.515 3.637 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000506253243 1022725220 /nfs/dbraw/zinc/72/52/20/1022725220.db2.gz HNMRXYNYKJUDPX-UXHICEINSA-N 1 2 346.515 3.637 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)n1 ZINC000891805638 1022854068 /nfs/dbraw/zinc/85/40/68/1022854068.db2.gz NTYAKSVYCUMVOG-UHFFFAOYSA-N 1 2 347.503 3.633 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000438607387 1022857798 /nfs/dbraw/zinc/85/77/98/1022857798.db2.gz TYHQJSGVECHLDW-AWEZNQCLSA-N 1 2 325.334 3.579 20 0 EHADLO Cc1cccc2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)oc21 ZINC000150033742 1033088251 /nfs/dbraw/zinc/08/82/51/1033088251.db2.gz FSUBZKQGOQXOTR-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Cl)cc2F)CCN1 ZINC000188990573 1022931154 /nfs/dbraw/zinc/93/11/54/1022931154.db2.gz WVQCOGRFACFCKO-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)cc2F)CCN1 ZINC000188990573 1022931159 /nfs/dbraw/zinc/93/11/59/1022931159.db2.gz WVQCOGRFACFCKO-KRWDZBQOSA-N 1 2 332.806 3.542 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1nc(-c2ccccc2F)no1 ZINC000189078760 1022947084 /nfs/dbraw/zinc/94/70/84/1022947084.db2.gz PYEHWEYBNWMKTF-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1nc(-c2ccccc2F)no1 ZINC000189078760 1022947094 /nfs/dbraw/zinc/94/70/94/1022947094.db2.gz PYEHWEYBNWMKTF-UHFFFAOYSA-N 1 2 341.386 3.524 20 0 EHADLO CC1(c2cccc(Cl)c2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000684526903 1022952425 /nfs/dbraw/zinc/95/24/25/1022952425.db2.gz HTNYBEQCDPOUBY-UHFFFAOYSA-N 1 2 345.874 3.897 20 0 EHADLO CCc1nc(C)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000341685208 1023014885 /nfs/dbraw/zinc/01/48/85/1023014885.db2.gz DQNXRLSRKDWMPY-UHFFFAOYSA-N 1 2 326.425 3.511 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000562965105 1023015798 /nfs/dbraw/zinc/01/57/98/1023015798.db2.gz PWYUJMFKAJAUBT-GOEBONIOSA-N 1 2 331.847 3.838 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000562965105 1023015806 /nfs/dbraw/zinc/01/58/06/1023015806.db2.gz PWYUJMFKAJAUBT-GOEBONIOSA-N 1 2 331.847 3.838 20 0 EHADLO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1[nH+]cnc2c1cnn2C ZINC000509555667 1023034935 /nfs/dbraw/zinc/03/49/35/1023034935.db2.gz VLINRPKYTJGUED-SECBINFHSA-N 1 2 348.237 3.794 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000276816573 1023038454 /nfs/dbraw/zinc/03/84/54/1023038454.db2.gz UJVOMTWKDNLLOD-VIFPVBQESA-N 1 2 347.362 3.686 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933817480 1023038551 /nfs/dbraw/zinc/03/85/51/1023038551.db2.gz CMRJTLPZBVHIEF-UHFFFAOYSA-N 1 2 335.455 3.804 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933817480 1023038563 /nfs/dbraw/zinc/03/85/63/1023038563.db2.gz CMRJTLPZBVHIEF-UHFFFAOYSA-N 1 2 335.455 3.804 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccccc1C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000426175149 1023041999 /nfs/dbraw/zinc/04/19/99/1023041999.db2.gz RHKDYQCYFIZYEB-AEFFLSMTSA-N 1 2 332.488 3.662 20 0 EHADLO CC[C@@H](C(=O)N(C)c1ccccc1C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000426175149 1023042006 /nfs/dbraw/zinc/04/20/06/1023042006.db2.gz RHKDYQCYFIZYEB-AEFFLSMTSA-N 1 2 332.488 3.662 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)n1C1CC1 ZINC000341695758 1023048936 /nfs/dbraw/zinc/04/89/36/1023048936.db2.gz CZBYRTDTMSAZNT-FQEVSTJZSA-N 1 2 348.450 3.831 20 0 EHADLO CCOc1ccccc1C[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000548422232 1023064055 /nfs/dbraw/zinc/06/40/55/1023064055.db2.gz OFASMIICHLGTIC-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000548422232 1023064061 /nfs/dbraw/zinc/06/40/61/1023064061.db2.gz OFASMIICHLGTIC-UHFFFAOYSA-N 1 2 331.387 3.643 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N(CCc1ccccc1)Cc1ccccc1 ZINC000509567889 1023068619 /nfs/dbraw/zinc/06/86/19/1023068619.db2.gz GYUKRNAERYCEID-UHFFFAOYSA-N 1 2 343.434 3.613 20 0 EHADLO O=C(c1cccs1)N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000507007088 1023074780 /nfs/dbraw/zinc/07/47/80/1023074780.db2.gz LCNOFWWEOZSDHR-UHFFFAOYSA-N 1 2 340.492 3.974 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000761042731 1033103367 /nfs/dbraw/zinc/10/33/67/1033103367.db2.gz QOXZSGQLCRLGTM-UONOGXRCSA-N 1 2 328.378 3.823 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000761042731 1033103372 /nfs/dbraw/zinc/10/33/72/1033103372.db2.gz QOXZSGQLCRLGTM-UONOGXRCSA-N 1 2 328.378 3.823 20 0 EHADLO O=C(CCCOc1ccccc1F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000343278574 1023081927 /nfs/dbraw/zinc/08/19/27/1023081927.db2.gz WADBQSNILQHPQT-UHFFFAOYSA-N 1 2 339.370 3.809 20 0 EHADLO Cn1nccc1C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189809029 1023106462 /nfs/dbraw/zinc/10/64/62/1023106462.db2.gz WFCOOYFFZSBGEH-UHFFFAOYSA-N 1 2 334.261 3.562 20 0 EHADLO Cc1ccc([C@H](C)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000129531584 1023109862 /nfs/dbraw/zinc/10/98/62/1023109862.db2.gz LEHJLWVXXAIXTQ-QGZVFWFLSA-N 1 2 333.435 3.773 20 0 EHADLO CCCCCC(=O)NC1CC[NH+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000891860935 1023115268 /nfs/dbraw/zinc/11/52/68/1023115268.db2.gz DYHPTHWYEOXVJJ-UHFFFAOYSA-N 1 2 335.492 3.633 20 0 EHADLO CCCOc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1OC ZINC000895068071 1023143199 /nfs/dbraw/zinc/14/31/99/1023143199.db2.gz HSPAHKRXDPUDIZ-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO CCCOc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1OC ZINC000895068071 1023143203 /nfs/dbraw/zinc/14/32/03/1023143203.db2.gz HSPAHKRXDPUDIZ-UHFFFAOYSA-N 1 2 341.455 3.645 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(F)ccc3C2)c1C ZINC000091898733 1023145676 /nfs/dbraw/zinc/14/56/76/1023145676.db2.gz SRFDAYNLUGMOOL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(F)ccc3C2)c1C ZINC000091898733 1023145686 /nfs/dbraw/zinc/14/56/86/1023145686.db2.gz SRFDAYNLUGMOOL-OAHLLOKOSA-N 1 2 326.415 3.828 20 0 EHADLO COCc1nc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)cs1 ZINC000507140078 1023153650 /nfs/dbraw/zinc/15/36/50/1023153650.db2.gz DLCKAYCBNQEAAV-KRWDZBQOSA-N 1 2 332.469 3.808 20 0 EHADLO COCc1nc(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)cs1 ZINC000507140078 1023153654 /nfs/dbraw/zinc/15/36/54/1023153654.db2.gz DLCKAYCBNQEAAV-KRWDZBQOSA-N 1 2 332.469 3.808 20 0 EHADLO OC1(C(F)F)CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000426248943 1023190774 /nfs/dbraw/zinc/19/07/74/1023190774.db2.gz NWQDKUKZDDGEHQ-UHFFFAOYSA-N 1 2 342.773 3.587 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263468 1023216903 /nfs/dbraw/zinc/21/69/03/1023216903.db2.gz PMGZTIAEFKHVJB-FXAWDEMLSA-N 1 2 346.515 3.563 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263468 1023216913 /nfs/dbraw/zinc/21/69/13/1023216913.db2.gz PMGZTIAEFKHVJB-FXAWDEMLSA-N 1 2 346.515 3.563 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000439046385 1023239620 /nfs/dbraw/zinc/23/96/20/1023239620.db2.gz XKBXWOGUFOWPGC-LAUBAEHRSA-N 1 2 347.393 3.854 20 0 EHADLO Cc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441493012 1023245084 /nfs/dbraw/zinc/24/50/84/1023245084.db2.gz SDLMOCDAZIPXKQ-HXUWFJFHSA-N 1 2 333.435 3.980 20 0 EHADLO Brc1cccc2ccnc(NCCCn3cc[nH+]c3)c12 ZINC001161688486 1023255074 /nfs/dbraw/zinc/25/50/74/1023255074.db2.gz UNPSGONTVIKVDF-UHFFFAOYSA-N 1 2 331.217 3.696 20 0 EHADLO Cc1ccc(C(C)(C)c2noc([C@H](c3ccccc3)[NH+](C)C)n2)nc1 ZINC000665084226 1023269772 /nfs/dbraw/zinc/26/97/72/1023269772.db2.gz ZDWBGKQIGPQPBT-KRWDZBQOSA-N 1 2 336.439 3.750 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cccc1 ZINC000520492293 1023281811 /nfs/dbraw/zinc/28/18/11/1023281811.db2.gz BPQQINWUXHJPAZ-CABCVRRESA-N 1 2 346.500 3.766 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cccc1 ZINC000520492293 1023281820 /nfs/dbraw/zinc/28/18/20/1023281820.db2.gz BPQQINWUXHJPAZ-CABCVRRESA-N 1 2 346.500 3.766 20 0 EHADLO Fc1ccc2nc(NCc3cc[nH+]c(N4CCCCC4)c3)oc2c1 ZINC000891891462 1023307565 /nfs/dbraw/zinc/30/75/65/1023307565.db2.gz QOOPXLPZCUQLAC-UHFFFAOYSA-N 1 2 326.375 3.964 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000202417960 1033122695 /nfs/dbraw/zinc/12/26/95/1033122695.db2.gz USZVHBQXFGDULB-UHFFFAOYSA-N 1 2 343.496 3.593 20 0 EHADLO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000548453776 1023338202 /nfs/dbraw/zinc/33/82/02/1023338202.db2.gz TUIPWEFLSAVVHS-LBPRGKRZSA-N 1 2 345.270 3.645 20 0 EHADLO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000548453776 1023338205 /nfs/dbraw/zinc/33/82/05/1023338205.db2.gz TUIPWEFLSAVVHS-LBPRGKRZSA-N 1 2 345.270 3.645 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2nc(CC)no2)C(C)C)cc1OCC ZINC000127398589 1023388416 /nfs/dbraw/zinc/38/84/16/1023388416.db2.gz DXWMVVNYWIJTBK-LJQANCHMSA-N 1 2 347.459 3.916 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000535664940 1023389645 /nfs/dbraw/zinc/38/96/45/1023389645.db2.gz DOGVDEQAQIOQLK-HNAYVOBHSA-N 1 2 340.471 3.772 20 0 EHADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341835139 1023422615 /nfs/dbraw/zinc/42/26/15/1023422615.db2.gz LXNCZEKWCBFOEE-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341835139 1023422618 /nfs/dbraw/zinc/42/26/18/1023422618.db2.gz LXNCZEKWCBFOEE-UHFFFAOYSA-N 1 2 346.356 3.918 20 0 EHADLO C[C@]1(Br)C[C@@H]1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925100 1023425859 /nfs/dbraw/zinc/42/58/59/1023425859.db2.gz DHYMZXWHRDXBBE-ZBFHGGJFSA-N 1 2 334.261 3.585 20 0 EHADLO C[C@]1(Br)C[C@@H]1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000891925100 1023425863 /nfs/dbraw/zinc/42/58/63/1023425863.db2.gz DHYMZXWHRDXBBE-ZBFHGGJFSA-N 1 2 334.261 3.585 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)cn21 ZINC000093406563 1023481194 /nfs/dbraw/zinc/48/11/94/1023481194.db2.gz NFIRLUBXLCNXCZ-ZDUSSCGKSA-N 1 2 326.469 3.829 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@H](C)[S@@]1=O ZINC000348543343 1033139860 /nfs/dbraw/zinc/13/98/60/1033139860.db2.gz GKCQVDOGIZOVBV-WXQIDZRNSA-N 1 2 345.455 3.636 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C[C@H](C)[S@@]1=O ZINC000348543343 1033139868 /nfs/dbraw/zinc/13/98/68/1033139868.db2.gz GKCQVDOGIZOVBV-WXQIDZRNSA-N 1 2 345.455 3.636 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2cccc(OC(C)C)c2)c(C)c[nH+]1 ZINC000535772839 1023622945 /nfs/dbraw/zinc/62/29/45/1023622945.db2.gz UKOVOPYMLDIQJO-UHFFFAOYSA-N 1 2 327.428 3.571 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000535786174 1023634864 /nfs/dbraw/zinc/63/48/64/1023634864.db2.gz BHLCFUBBXUBVQQ-HNNXBMFYSA-N 1 2 339.361 3.620 20 0 EHADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000535786174 1023634868 /nfs/dbraw/zinc/63/48/68/1023634868.db2.gz BHLCFUBBXUBVQQ-HNNXBMFYSA-N 1 2 339.361 3.620 20 0 EHADLO CSc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)co1 ZINC000897755276 1033151026 /nfs/dbraw/zinc/15/10/26/1033151026.db2.gz GLVGYRUZADUITH-HDJSIYSDSA-N 1 2 331.441 3.550 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)c(Cl)c2)[nH]1 ZINC000277012607 1023699640 /nfs/dbraw/zinc/69/96/40/1023699640.db2.gz YLJRXACETFZRFC-MRVPVSSYSA-N 1 2 343.656 3.634 20 0 EHADLO CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761043520 1033155413 /nfs/dbraw/zinc/15/54/13/1033155413.db2.gz WOPFLTHBTVSSJC-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO CCOc1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761043520 1033155421 /nfs/dbraw/zinc/15/54/21/1033155421.db2.gz WOPFLTHBTVSSJC-GFCCVEGCSA-N 1 2 341.333 3.520 20 0 EHADLO COCC[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccnc1 ZINC000277086138 1023753943 /nfs/dbraw/zinc/75/39/43/1023753943.db2.gz MPIIDMRTFNGXPL-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO COCC[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccnc1 ZINC000277086138 1023753949 /nfs/dbraw/zinc/75/39/49/1023753949.db2.gz MPIIDMRTFNGXPL-UHFFFAOYSA-N 1 2 339.464 3.854 20 0 EHADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000342018521 1023760673 /nfs/dbraw/zinc/76/06/73/1023760673.db2.gz YGGVSSJBFQPAOW-LBPRGKRZSA-N 1 2 347.344 3.532 20 0 EHADLO C[C@H](c1nc2ccccc2o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000181150720 1023861356 /nfs/dbraw/zinc/86/13/56/1023861356.db2.gz AXAPWLROCYRNMP-OAHLLOKOSA-N 1 2 339.414 3.846 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@H](c3ccccn3)C3CCC3)ccc2[nH+]1 ZINC000528961635 1033167832 /nfs/dbraw/zinc/16/78/32/1033167832.db2.gz QECAOWDDSQJAEJ-SFHVURJKSA-N 1 2 335.411 3.701 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCc2ccns2)CC1 ZINC001167497456 1023873014 /nfs/dbraw/zinc/87/30/14/1023873014.db2.gz ZDMVRSLEIQKNGE-AWEZNQCLSA-N 1 2 335.904 3.718 20 0 EHADLO CC(C)Oc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468106 1033175011 /nfs/dbraw/zinc/17/50/11/1033175011.db2.gz LXIVBYCKACMHLQ-KRWDZBQOSA-N 1 2 344.459 3.907 20 0 EHADLO CC[C@H](C)Oc1cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)nc(C)n1 ZINC000895197479 1023957012 /nfs/dbraw/zinc/95/70/12/1023957012.db2.gz SNOQLQPYJAMGCU-NHYWBVRUSA-N 1 2 329.448 3.644 20 0 EHADLO CSc1cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)nc(SC)n1 ZINC000895197527 1023957448 /nfs/dbraw/zinc/95/74/48/1023957448.db2.gz UFTFWUZWLXTAGK-NSHDSACASA-N 1 2 335.502 3.602 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC000192248769 1023960192 /nfs/dbraw/zinc/96/01/92/1023960192.db2.gz AQVPPRWSJKCYNP-UHFFFAOYSA-N 1 2 348.516 3.752 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C)c(F)c1 ZINC000192282074 1023970354 /nfs/dbraw/zinc/97/03/54/1023970354.db2.gz FJKCDSSBSNDZNE-UHFFFAOYSA-N 1 2 346.450 3.515 20 0 EHADLO C[C@@H]1CC2(CCC2)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000431558984 1033176873 /nfs/dbraw/zinc/17/68/73/1033176873.db2.gz ROJJHPZCPWXWNG-CQSZACIVSA-N 1 2 348.516 3.925 20 0 EHADLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H](C)C1CCCCC1 ZINC000434401176 1024017297 /nfs/dbraw/zinc/01/72/97/1024017297.db2.gz XXKUKWYWJLOTCG-FRQCXROJSA-N 1 2 345.487 3.849 20 0 EHADLO CCc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)oc1CC ZINC000513993761 1024022616 /nfs/dbraw/zinc/02/26/16/1024022616.db2.gz FHCBWBPQIGQRBG-MRXNPFEDSA-N 1 2 346.858 3.845 20 0 EHADLO CC[C@@H](C)c1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)on1 ZINC000513995163 1024024420 /nfs/dbraw/zinc/02/44/20/1024024420.db2.gz UGOOOWYYKSLKSS-WBMJQRKESA-N 1 2 347.846 3.628 20 0 EHADLO CCc1ccccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988828 1024032391 /nfs/dbraw/zinc/03/23/91/1024032391.db2.gz DNQHBTSRUXZBJQ-SFHVURJKSA-N 1 2 328.843 3.689 20 0 EHADLO O=C(c1cc2ccccc2o1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514000384 1024043019 /nfs/dbraw/zinc/04/30/19/1024043019.db2.gz WYVZUNQCAXLLIF-INIZCTEOSA-N 1 2 340.810 3.873 20 0 EHADLO O=C(Cc1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514000135 1024044470 /nfs/dbraw/zinc/04/44/70/1024044470.db2.gz UUIAVYNJFXXBFV-QGZVFWFLSA-N 1 2 349.261 3.709 20 0 EHADLO C[C@@H]1CCN(c2nc(C(F)F)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134023066 1024062847 /nfs/dbraw/zinc/06/28/47/1024062847.db2.gz QAYRTKQCXUMHRL-DOMZBBRYSA-N 1 2 343.381 3.851 20 0 EHADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)cc1OC ZINC000434476509 1024065966 /nfs/dbraw/zinc/06/59/66/1024065966.db2.gz JITNPVQRORZDCY-HNNXBMFYSA-N 1 2 346.475 3.897 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc4oc(C5CC5)nc4c3)[nH+]c12 ZINC000522237875 1024082292 /nfs/dbraw/zinc/08/22/92/1024082292.db2.gz YYDRHFZIZWWHQR-UHFFFAOYSA-N 1 2 346.390 3.843 20 0 EHADLO O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000434496054 1024098730 /nfs/dbraw/zinc/09/87/30/1024098730.db2.gz FFVONEVWWFRXCO-UHFFFAOYSA-N 1 2 348.368 3.864 20 0 EHADLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H](C)c1cscn1 ZINC000895253875 1024129145 /nfs/dbraw/zinc/12/91/45/1024129145.db2.gz LGCCZXDWWYFHMW-LBPRGKRZSA-N 1 2 343.452 3.960 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000434614230 1024201287 /nfs/dbraw/zinc/20/12/87/1024201287.db2.gz HWQGBKSEDGZXGC-LJQANCHMSA-N 1 2 330.451 3.973 20 0 EHADLO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000434614230 1024201292 /nfs/dbraw/zinc/20/12/92/1024201292.db2.gz HWQGBKSEDGZXGC-LJQANCHMSA-N 1 2 330.451 3.973 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCC(c3ccc(F)cc3C)CC2)c[nH+]1 ZINC000897820040 1033193264 /nfs/dbraw/zinc/19/32/64/1033193264.db2.gz HHENIZSVXSWOGT-UHFFFAOYSA-N 1 2 343.446 3.780 20 0 EHADLO Cc1ccc(-c2csc(CSc3nc(N)cc(C)[nH+]3)n2)cc1 ZINC000505444484 1024205536 /nfs/dbraw/zinc/20/55/36/1024205536.db2.gz RDGCOLLPGXPTIG-UHFFFAOYSA-N 1 2 328.466 3.922 20 0 EHADLO CC1(C)CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000514198559 1024209927 /nfs/dbraw/zinc/20/99/27/1024209927.db2.gz DMQBYLDZZYTSDI-KRWDZBQOSA-N 1 2 329.488 3.905 20 0 EHADLO CCCn1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc2ccccc21 ZINC000329909362 1024243215 /nfs/dbraw/zinc/24/32/15/1024243215.db2.gz UZCBPEDAYVOSQJ-UHFFFAOYSA-N 1 2 336.439 3.794 20 0 EHADLO CCCn1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc2ccccc21 ZINC000329909362 1024243231 /nfs/dbraw/zinc/24/32/31/1024243231.db2.gz UZCBPEDAYVOSQJ-UHFFFAOYSA-N 1 2 336.439 3.794 20 0 EHADLO Cn1ccc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 ZINC000514231136 1024262540 /nfs/dbraw/zinc/26/25/40/1024262540.db2.gz SSXRMQFQHGVDHA-UHFFFAOYSA-N 1 2 335.329 3.989 20 0 EHADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)n1 ZINC001141762282 1024268826 /nfs/dbraw/zinc/26/88/26/1024268826.db2.gz LTCLKTCYHBBCRM-GFCCVEGCSA-N 1 2 327.375 3.764 20 0 EHADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)n1 ZINC001141762282 1024268837 /nfs/dbraw/zinc/26/88/37/1024268837.db2.gz LTCLKTCYHBBCRM-GFCCVEGCSA-N 1 2 327.375 3.764 20 0 EHADLO COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(C)c1OC ZINC000342160048 1024269599 /nfs/dbraw/zinc/26/95/99/1024269599.db2.gz LCDXKBHYSHZWKD-UHFFFAOYSA-N 1 2 349.434 3.759 20 0 EHADLO CC1(C)OCCC12CC[NH+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC001141767083 1024299450 /nfs/dbraw/zinc/29/94/50/1024299450.db2.gz VLYWTFRKZUWSDA-UHFFFAOYSA-N 1 2 334.407 3.943 20 0 EHADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123508 1024312735 /nfs/dbraw/zinc/31/27/35/1024312735.db2.gz LOGRQNWMLOXJRG-SJORKVTESA-N 1 2 332.469 3.640 20 0 EHADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000934123508 1024312750 /nfs/dbraw/zinc/31/27/50/1024312750.db2.gz LOGRQNWMLOXJRG-SJORKVTESA-N 1 2 332.469 3.640 20 0 EHADLO COC(=O)c1ccoc1C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443650057 1024331161 /nfs/dbraw/zinc/33/11/61/1024331161.db2.gz IKPIZXVJPCUKNQ-ZDUSSCGKSA-N 1 2 349.814 3.763 20 0 EHADLO COC(=O)c1ccoc1C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443650057 1024331180 /nfs/dbraw/zinc/33/11/80/1024331180.db2.gz IKPIZXVJPCUKNQ-ZDUSSCGKSA-N 1 2 349.814 3.763 20 0 EHADLO Fc1cccc2nc(N3CCC(Nc4cccc[nH+]4)CC3)sc21 ZINC000895348557 1024357041 /nfs/dbraw/zinc/35/70/41/1024357041.db2.gz AEWAPSUSYGSWNM-UHFFFAOYSA-N 1 2 328.416 3.911 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCc2ccccc2C1 ZINC000425168970 1024386837 /nfs/dbraw/zinc/38/68/37/1024386837.db2.gz MWMUQHIAHFHILU-HXUWFJFHSA-N 1 2 345.446 3.907 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)cc2c1 ZINC000505516401 1024413655 /nfs/dbraw/zinc/41/36/55/1024413655.db2.gz OYDRHJOUJKZCPP-KRWDZBQOSA-N 1 2 338.382 3.667 20 0 EHADLO Oc1ccc(Br)cc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000163181132 1024416440 /nfs/dbraw/zinc/41/64/40/1024416440.db2.gz YONYBZJDRGACOG-UHFFFAOYSA-N 1 2 348.244 3.762 20 0 EHADLO CC(C)C[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425193622 1024431170 /nfs/dbraw/zinc/43/11/70/1024431170.db2.gz LDQSECHSTQIRCM-WMZOPIPTSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1nc(C(C)(C)C)cs1 ZINC000184503848 1024432775 /nfs/dbraw/zinc/43/27/75/1024432775.db2.gz XAZFPPZXBQZVMR-ROKHWSDSSA-N 1 2 337.533 3.786 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1sc(C)nc1C ZINC000434799217 1024440719 /nfs/dbraw/zinc/44/07/19/1024440719.db2.gz QJFKEOIGEBEEKZ-HOTGVXAUSA-N 1 2 330.453 3.639 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1sc(C)nc1C ZINC000434799217 1024440724 /nfs/dbraw/zinc/44/07/24/1024440724.db2.gz QJFKEOIGEBEEKZ-HOTGVXAUSA-N 1 2 330.453 3.639 20 0 EHADLO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000194622735 1024444189 /nfs/dbraw/zinc/44/41/89/1024444189.db2.gz JPHSOQKGBWIUGX-JFIYKMOQSA-N 1 2 332.492 3.835 20 0 EHADLO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000346147631 1024449110 /nfs/dbraw/zinc/44/91/10/1024449110.db2.gz HHYVSEFVWZXEDF-INIZCTEOSA-N 1 2 340.389 3.853 20 0 EHADLO CN(C(=O)C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000346147631 1024449115 /nfs/dbraw/zinc/44/91/15/1024449115.db2.gz HHYVSEFVWZXEDF-INIZCTEOSA-N 1 2 340.389 3.853 20 0 EHADLO Fc1ccccc1[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000346136547 1024464611 /nfs/dbraw/zinc/46/46/11/1024464611.db2.gz HWYDPKAHSWCWJX-GOSISDBHSA-N 1 2 343.427 3.646 20 0 EHADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000346136547 1024464613 /nfs/dbraw/zinc/46/46/13/1024464613.db2.gz HWYDPKAHSWCWJX-GOSISDBHSA-N 1 2 343.427 3.646 20 0 EHADLO CCc1cnccc1[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228991 1024465739 /nfs/dbraw/zinc/46/57/39/1024465739.db2.gz KTBZATWIPIYSDT-BEFAXECRSA-N 1 2 348.450 3.767 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC12CCC2 ZINC000425224996 1024470139 /nfs/dbraw/zinc/47/01/39/1024470139.db2.gz FJTPGRDCPCTDKQ-SJLPKXTDSA-N 1 2 337.467 3.970 20 0 EHADLO FC(F)(F)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895404696 1024477627 /nfs/dbraw/zinc/47/76/27/1024477627.db2.gz KUSCBODTAAAGHJ-AAEUAGOBSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895404696 1024477633 /nfs/dbraw/zinc/47/76/33/1024477633.db2.gz KUSCBODTAAAGHJ-AAEUAGOBSA-N 1 2 334.407 3.943 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CCSC(C)(C)C3)o2)cc1C ZINC000434894529 1024486214 /nfs/dbraw/zinc/48/62/14/1024486214.db2.gz HLJJTLLGBJZEGS-UHFFFAOYSA-N 1 2 337.514 3.996 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CCSC(C)(C)C3)o2)cc1C ZINC000434894529 1024486220 /nfs/dbraw/zinc/48/62/20/1024486220.db2.gz HLJJTLLGBJZEGS-UHFFFAOYSA-N 1 2 337.514 3.996 20 0 EHADLO c1coc([C@H]2[N@H+](Cc3ccnn3C3CCC3)CC23CCOCC3)c1 ZINC000895434108 1024495022 /nfs/dbraw/zinc/49/50/22/1024495022.db2.gz PTQWPIYDYHAWOR-GOSISDBHSA-N 1 2 327.428 3.555 20 0 EHADLO c1coc([C@H]2[N@@H+](Cc3ccnn3C3CCC3)CC23CCOCC3)c1 ZINC000895434108 1024495029 /nfs/dbraw/zinc/49/50/29/1024495029.db2.gz PTQWPIYDYHAWOR-GOSISDBHSA-N 1 2 327.428 3.555 20 0 EHADLO C[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC(C)(C)C1 ZINC000425244603 1024502397 /nfs/dbraw/zinc/50/23/97/1024502397.db2.gz SEMTWLMINCLWMW-NVXWUHKLSA-N 1 2 325.456 3.826 20 0 EHADLO C[C@@H]1CC[C@]2(CCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)C1 ZINC000425248695 1024504980 /nfs/dbraw/zinc/50/49/80/1024504980.db2.gz RRGDUEFJPJCCIB-BLIXFSHQSA-N 1 2 337.467 3.970 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000895447782 1024512500 /nfs/dbraw/zinc/51/25/00/1024512500.db2.gz QELXEWCXEFMTRD-UHFFFAOYSA-N 1 2 340.254 3.592 20 0 EHADLO Cc1cccc2c1CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000425261905 1024541682 /nfs/dbraw/zinc/54/16/82/1024541682.db2.gz FOXGXBCVZPBPPT-LJQANCHMSA-N 1 2 345.446 3.825 20 0 EHADLO Cc1[nH+]cc(CN2CCO[C@H](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000346240896 1024555217 /nfs/dbraw/zinc/55/52/17/1024555217.db2.gz YVPXMQBSKYEJIZ-JOCHJYFZSA-N 1 2 347.462 3.624 20 0 EHADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1C ZINC000895502584 1024564207 /nfs/dbraw/zinc/56/42/07/1024564207.db2.gz RDKZJLQOAOSVQF-INIZCTEOSA-N 1 2 335.407 3.727 20 0 EHADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3csc(C4CC4)n3)C2)cc1C ZINC000895497273 1024569591 /nfs/dbraw/zinc/56/95/91/1024569591.db2.gz GKUPJVYMYSCOLG-QGZVFWFLSA-N 1 2 341.480 3.920 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435031746 1024571252 /nfs/dbraw/zinc/57/12/52/1024571252.db2.gz AMFFKIHZSGASSW-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435031746 1024571261 /nfs/dbraw/zinc/57/12/61/1024571261.db2.gz AMFFKIHZSGASSW-UHFFFAOYSA-N 1 2 345.414 3.636 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281029933 1024573539 /nfs/dbraw/zinc/57/35/39/1024573539.db2.gz PDPPKRFGCIPIAQ-AWEZNQCLSA-N 1 2 326.425 3.937 20 0 EHADLO C[NH+](C)[C@@H](CNCc1ccc(F)c(F)c1F)c1cccc(F)c1 ZINC000657285365 1024575682 /nfs/dbraw/zinc/57/56/82/1024575682.db2.gz ALVXELPNIYWDEC-HNNXBMFYSA-N 1 2 326.337 3.636 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c[nH+]1 ZINC000895537588 1024596305 /nfs/dbraw/zinc/59/63/05/1024596305.db2.gz UHFYXQJWYYVZSF-UHFFFAOYSA-N 1 2 341.411 3.607 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536498644 1024615971 /nfs/dbraw/zinc/61/59/71/1024615971.db2.gz WXDYWOKWDLFVDS-AWEZNQCLSA-N 1 2 335.329 3.738 20 0 EHADLO COc1ccc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c(O)c1 ZINC000729525510 1024619625 /nfs/dbraw/zinc/61/96/25/1024619625.db2.gz DIJQJWPVTNYGCI-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO c1csc(-c2cc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)no2)c1 ZINC000281077454 1024633052 /nfs/dbraw/zinc/63/30/52/1024633052.db2.gz UFXBWLMXRWSWPZ-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO c1csc(-c2cc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)no2)c1 ZINC000281077454 1024633058 /nfs/dbraw/zinc/63/30/58/1024633058.db2.gz UFXBWLMXRWSWPZ-INIZCTEOSA-N 1 2 341.436 3.589 20 0 EHADLO Cc1cc([C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)ccc1F ZINC000435133057 1024644134 /nfs/dbraw/zinc/64/41/34/1024644134.db2.gz OIWSVBFSGWLDTQ-IBGZPJMESA-N 1 2 341.386 3.691 20 0 EHADLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)ccc1F ZINC000435133057 1024644144 /nfs/dbraw/zinc/64/41/44/1024644144.db2.gz OIWSVBFSGWLDTQ-IBGZPJMESA-N 1 2 341.386 3.691 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@H]1CO ZINC001143430057 1024646083 /nfs/dbraw/zinc/64/60/83/1024646083.db2.gz YVIIHCQLNHBZHT-GWCFXTLKSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)[C@H]1CO ZINC001143430057 1024646094 /nfs/dbraw/zinc/64/60/94/1024646094.db2.gz YVIIHCQLNHBZHT-GWCFXTLKSA-N 1 2 337.769 3.831 20 0 EHADLO CCOc1cc(Cl)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000346354348 1024647800 /nfs/dbraw/zinc/64/78/00/1024647800.db2.gz JHRICUPWVHPQPK-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614379 1024658174 /nfs/dbraw/zinc/65/81/74/1024658174.db2.gz WGGPXUOXRRMLSM-HIFRSBDPSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000505614379 1024658179 /nfs/dbraw/zinc/65/81/79/1024658179.db2.gz WGGPXUOXRRMLSM-HIFRSBDPSA-N 1 2 333.863 3.740 20 0 EHADLO C[C@@]1(C2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)COC(=O)N1 ZINC000895613313 1024658289 /nfs/dbraw/zinc/65/82/89/1024658289.db2.gz IMQHIVYHAAOXQA-SFHVURJKSA-N 1 2 345.830 3.603 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342974 1024666541 /nfs/dbraw/zinc/66/65/41/1024666541.db2.gz DYOYNYKRIUPDQE-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@H]2c2ccccc2Cl)CCN1CC(F)(F)F ZINC000346342974 1024666544 /nfs/dbraw/zinc/66/65/44/1024666544.db2.gz DYOYNYKRIUPDQE-UONOGXRCSA-N 1 2 346.780 3.640 20 0 EHADLO c1cn(-c2cccc(-c3noc(-c4ccnc5ccncc54)n3)c2)c[nH+]1 ZINC000346386097 1024674788 /nfs/dbraw/zinc/67/47/88/1024674788.db2.gz IQPFVZBGCHMRFN-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO CC(C)Oc1ncccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346364957 1024682185 /nfs/dbraw/zinc/68/21/85/1024682185.db2.gz IDMCNGRLXQCOFO-UHFFFAOYSA-N 1 2 347.378 3.772 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1sccc1Cl ZINC000505628948 1024690455 /nfs/dbraw/zinc/69/04/55/1024690455.db2.gz DOFRJNIVMUNKED-UHFFFAOYSA-N 1 2 331.828 3.576 20 0 EHADLO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000346409195 1024697971 /nfs/dbraw/zinc/69/79/71/1024697971.db2.gz HDQMBBRYJYDQNY-PKOBYXMFSA-N 1 2 349.409 3.875 20 0 EHADLO Cc1ccccc1CCN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307206 1024716605 /nfs/dbraw/zinc/71/66/05/1024716605.db2.gz CVZOETCYNCJNBO-HXUWFJFHSA-N 1 2 347.462 3.941 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000346431586 1024729575 /nfs/dbraw/zinc/72/95/75/1024729575.db2.gz IVBJGBSLVNHNJK-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2cccc(OCC(F)(F)F)c2)c[nH+]1 ZINC000895701278 1024739438 /nfs/dbraw/zinc/73/94/38/1024739438.db2.gz ZJSMLFGAMYBTAU-UHFFFAOYSA-N 1 2 341.333 3.506 20 0 EHADLO Cc1[nH]c(CN(C)Cc2ccc(Br)cc2F)[nH+]c1C ZINC000639360073 1024750169 /nfs/dbraw/zinc/75/01/69/1024750169.db2.gz LJPZPWOHIJAENS-UHFFFAOYSA-N 1 2 326.213 3.560 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000425315511 1024750728 /nfs/dbraw/zinc/75/07/28/1024750728.db2.gz OOYYTKCBCDXRNM-IPMKNSEASA-N 1 2 337.467 3.874 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCc4sc(Cl)cc43)ccn12 ZINC000514796400 1024763757 /nfs/dbraw/zinc/76/37/57/1024763757.db2.gz IDXQVGOYJLTVEH-LBPRGKRZSA-N 1 2 331.828 3.775 20 0 EHADLO COc1ccc2c(c1)N(Cc1ccc(-n3cc[nH+]c3)cc1C)C[C@H](C)O2 ZINC001167509521 1024774469 /nfs/dbraw/zinc/77/44/69/1024774469.db2.gz OLMJINGBUMAIID-INIZCTEOSA-N 1 2 349.434 3.977 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000505662148 1024782243 /nfs/dbraw/zinc/78/22/43/1024782243.db2.gz OXJNBIDVTTXVTJ-KBXCAEBGSA-N 1 2 344.430 3.680 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000505662148 1024782260 /nfs/dbraw/zinc/78/22/60/1024782260.db2.gz OXJNBIDVTTXVTJ-KBXCAEBGSA-N 1 2 344.430 3.680 20 0 EHADLO O=C(c1cccs1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435325266 1024783030 /nfs/dbraw/zinc/78/30/30/1024783030.db2.gz DUBBBOYCBUZTSA-UHFFFAOYSA-N 1 2 345.855 3.941 20 0 EHADLO COc1cc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)ccn1 ZINC000346507544 1024789016 /nfs/dbraw/zinc/78/90/16/1024789016.db2.gz ZTVDMUZULHSCGE-LJQANCHMSA-N 1 2 341.361 3.643 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000508008033 1024827617 /nfs/dbraw/zinc/82/76/17/1024827617.db2.gz ICGJOKCNUUNDRO-KZTTYJGESA-N 1 2 347.871 3.913 20 0 EHADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000508008033 1024827637 /nfs/dbraw/zinc/82/76/37/1024827637.db2.gz ICGJOKCNUUNDRO-KZTTYJGESA-N 1 2 347.871 3.913 20 0 EHADLO CCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000080548697 1024856864 /nfs/dbraw/zinc/85/68/64/1024856864.db2.gz DXOLEEUPPOQOJW-GOSISDBHSA-N 1 2 340.471 3.678 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cc(C)cc(C)n3)no2)c1 ZINC000346560463 1024859784 /nfs/dbraw/zinc/85/97/84/1024859784.db2.gz HAKZUUNMRQGWAB-UHFFFAOYSA-N 1 2 331.379 3.910 20 0 EHADLO c1nc([C@H](C2CCCCC2)[NH+]2CCC(c3ccncc3)CC2)n[nH]1 ZINC000639169454 1024877795 /nfs/dbraw/zinc/87/77/95/1024877795.db2.gz KQMKJMXPMZILKO-SFHVURJKSA-N 1 2 325.460 3.701 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000508061245 1024878248 /nfs/dbraw/zinc/87/82/48/1024878248.db2.gz WPCVJLCDENZHHY-IAGOWNOFSA-N 1 2 337.467 3.514 20 0 EHADLO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000346543490 1024879232 /nfs/dbraw/zinc/87/92/32/1024879232.db2.gz FXKMFNNQKHVTFQ-KGLIPLIRSA-N 1 2 328.464 3.548 20 0 EHADLO CN(C[C@H]1CC1(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664487245 1024904543 /nfs/dbraw/zinc/90/45/43/1024904543.db2.gz KROYTSQLRUIACC-CYBMUJFWSA-N 1 2 336.505 3.639 20 0 EHADLO c1sc2ccccc2c1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333685628 1024906181 /nfs/dbraw/zinc/90/61/81/1024906181.db2.gz IOWLHMAOSUTMIC-IUODEOHRSA-N 1 2 341.436 3.877 20 0 EHADLO c1sc2ccccc2c1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333685628 1024906190 /nfs/dbraw/zinc/90/61/90/1024906190.db2.gz IOWLHMAOSUTMIC-IUODEOHRSA-N 1 2 341.436 3.877 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)SCC(=O)N3)c2c([nH+]1)CCCC2 ZINC000895865266 1024925340 /nfs/dbraw/zinc/92/53/40/1024925340.db2.gz SSAPZRPMIXEVLC-UHFFFAOYSA-N 1 2 339.464 3.925 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427992439 1024927944 /nfs/dbraw/zinc/92/79/44/1024927944.db2.gz MVKUENLZRJWXQF-OAHLLOKOSA-N 1 2 341.480 3.686 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000346611239 1024952635 /nfs/dbraw/zinc/95/26/35/1024952635.db2.gz RHLYEZVFVXKGFV-IBGZPJMESA-N 1 2 339.826 3.832 20 0 EHADLO CCCOc1ccc(OCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000097075841 1024977676 /nfs/dbraw/zinc/97/76/76/1024977676.db2.gz PITGXDJETLIIEY-UHFFFAOYSA-N 1 2 328.412 3.813 20 0 EHADLO CCn1ncc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC000346637773 1024979226 /nfs/dbraw/zinc/97/92/26/1024979226.db2.gz FUJXCVMWUCBGFN-UHFFFAOYSA-N 1 2 345.406 3.553 20 0 EHADLO COc1ccc(C(C)C)cc1C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001167526421 1025015462 /nfs/dbraw/zinc/01/54/62/1025015462.db2.gz YMFFXSUEPLHKPH-AWEZNQCLSA-N 1 2 344.421 3.887 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)c2cccc(Cl)c2)c[nH+]1 ZINC000895969997 1025025054 /nfs/dbraw/zinc/02/50/54/1025025054.db2.gz BSJCYHOFVRBCBT-UHFFFAOYSA-N 1 2 333.863 3.674 20 0 EHADLO Cc1csc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c12 ZINC000505708336 1025027129 /nfs/dbraw/zinc/02/71/29/1025027129.db2.gz YTLDDYZJBSIEHG-UHFFFAOYSA-N 1 2 339.468 3.997 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000071968341 1025027640 /nfs/dbraw/zinc/02/76/40/1025027640.db2.gz FLOCWZXZCMZKQN-GOSISDBHSA-N 1 2 342.508 3.662 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000071968341 1025027642 /nfs/dbraw/zinc/02/76/42/1025027642.db2.gz FLOCWZXZCMZKQN-GOSISDBHSA-N 1 2 342.508 3.662 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000515140774 1025043179 /nfs/dbraw/zinc/04/31/79/1025043179.db2.gz FIODPEQGAWCPBD-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000515140774 1025043189 /nfs/dbraw/zinc/04/31/89/1025043189.db2.gz FIODPEQGAWCPBD-LZLYRXPVSA-N 1 2 340.467 3.516 20 0 EHADLO c1cn2cccc(-c3noc([C@H]4CCC[C@@H](c5ccccc5)[NH2+]4)n3)c2n1 ZINC001211885884 1025053171 /nfs/dbraw/zinc/05/31/71/1025053171.db2.gz VABNBPOBGBHYJT-DLBZAZTESA-N 1 2 345.406 3.940 20 0 EHADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H]1C[C@]1(C)Br ZINC000892156124 1025058726 /nfs/dbraw/zinc/05/87/26/1025058726.db2.gz DXYNVDHFVUDDBZ-XVKPBYJWSA-N 1 2 343.212 3.767 20 0 EHADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H]1C[C@]1(C)Br ZINC000892156124 1025058734 /nfs/dbraw/zinc/05/87/34/1025058734.db2.gz DXYNVDHFVUDDBZ-XVKPBYJWSA-N 1 2 343.212 3.767 20 0 EHADLO CC[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)CC(F)(F)F ZINC000840365825 1025066100 /nfs/dbraw/zinc/06/61/00/1025066100.db2.gz ACJGCJNSORCWSX-JTQLQIEISA-N 1 2 329.370 3.972 20 0 EHADLO Cc1csc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000435684571 1025066280 /nfs/dbraw/zinc/06/62/80/1025066280.db2.gz VPNFCQQQNQGUQO-UHFFFAOYSA-N 1 2 346.843 3.862 20 0 EHADLO FC1(F)CC[C@@H](c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)C1 ZINC000281466529 1025074371 /nfs/dbraw/zinc/07/43/71/1025074371.db2.gz RMPZQPKIMKXWMI-CQSZACIVSA-N 1 2 330.338 3.884 20 0 EHADLO CCCOc1cc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000277431783 1025077448 /nfs/dbraw/zinc/07/74/48/1025077448.db2.gz NODAQXSCYWAKDN-KGLIPLIRSA-N 1 2 346.475 3.966 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520836463 1025077878 /nfs/dbraw/zinc/07/78/78/1025077878.db2.gz PBRVOJXSTNMRMP-SECBINFHSA-N 1 2 343.374 3.723 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520836463 1025077888 /nfs/dbraw/zinc/07/78/88/1025077888.db2.gz PBRVOJXSTNMRMP-SECBINFHSA-N 1 2 343.374 3.723 20 0 EHADLO c1coc(C[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]2CCCO2)c1 ZINC000425404746 1025087267 /nfs/dbraw/zinc/08/72/67/1025087267.db2.gz KHLVILXDKCMMNS-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO c1coc(C[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]2CCCO2)c1 ZINC000425404746 1025087277 /nfs/dbraw/zinc/08/72/77/1025087277.db2.gz KHLVILXDKCMMNS-LJQANCHMSA-N 1 2 349.434 3.918 20 0 EHADLO FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000190945059 1025110502 /nfs/dbraw/zinc/11/05/02/1025110502.db2.gz FEBHCNLSRRFWAU-AWEZNQCLSA-N 1 2 345.413 3.560 20 0 EHADLO FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000190945059 1025110508 /nfs/dbraw/zinc/11/05/08/1025110508.db2.gz FEBHCNLSRRFWAU-AWEZNQCLSA-N 1 2 345.413 3.560 20 0 EHADLO Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccn1C(C)C ZINC000346779495 1025116922 /nfs/dbraw/zinc/11/69/22/1025116922.db2.gz HDYVBRILVITQJP-HNNXBMFYSA-N 1 2 345.512 3.958 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000119658059 1025123678 /nfs/dbraw/zinc/12/36/78/1025123678.db2.gz CMULKIBGXLAQTJ-KRWDZBQOSA-N 1 2 347.462 3.597 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000780499325 1025133968 /nfs/dbraw/zinc/13/39/68/1025133968.db2.gz RSBZBUSNMHKFQJ-INIZCTEOSA-N 1 2 330.501 3.944 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000780499325 1025133972 /nfs/dbraw/zinc/13/39/72/1025133972.db2.gz RSBZBUSNMHKFQJ-INIZCTEOSA-N 1 2 330.501 3.944 20 0 EHADLO NC(=O)c1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000444006159 1025166274 /nfs/dbraw/zinc/16/62/74/1025166274.db2.gz WCSIGWONDVLLIB-UHFFFAOYSA-N 1 2 346.434 3.597 20 0 EHADLO COc1ccc(-c2nnc(C[N@H+](Cc3cccnc3)C(C)C)o2)cc1 ZINC000342396407 1025181000 /nfs/dbraw/zinc/18/10/00/1025181000.db2.gz LVFCWQLODASRAY-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO COc1ccc(-c2nnc(C[N@@H+](Cc3cccnc3)C(C)C)o2)cc1 ZINC000342396407 1025181003 /nfs/dbraw/zinc/18/10/03/1025181003.db2.gz LVFCWQLODASRAY-UHFFFAOYSA-N 1 2 338.411 3.551 20 0 EHADLO O=C(C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1)c1cccs1 ZINC000934269661 1025189192 /nfs/dbraw/zinc/18/91/92/1025189192.db2.gz JMEKKKDVVBXICN-CYBMUJFWSA-N 1 2 339.420 3.502 20 0 EHADLO CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000639466371 1025203366 /nfs/dbraw/zinc/20/33/66/1025203366.db2.gz UCVCJIKAZOBMDG-UHFFFAOYSA-N 1 2 333.234 3.575 20 0 EHADLO c1csc([C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)c1 ZINC000425427375 1025259458 /nfs/dbraw/zinc/25/94/58/1025259458.db2.gz UKPRUZYUEPKGNO-SFHVURJKSA-N 1 2 337.448 3.779 20 0 EHADLO c1csc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)nc3)CCO2)c1 ZINC000425427375 1025259468 /nfs/dbraw/zinc/25/94/68/1025259468.db2.gz UKPRUZYUEPKGNO-SFHVURJKSA-N 1 2 337.448 3.779 20 0 EHADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc2n1CCCCC2)C(C)(C)C ZINC000934288934 1025262974 /nfs/dbraw/zinc/26/29/74/1025262974.db2.gz JASNCAQSBXTXQN-SFHVURJKSA-N 1 2 327.476 3.585 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H](c2ccccc2)C1 ZINC000521203365 1025263454 /nfs/dbraw/zinc/26/34/54/1025263454.db2.gz SQUZJFCLFZCJSU-IBGZPJMESA-N 1 2 346.434 3.571 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055760 1033271493 /nfs/dbraw/zinc/27/14/93/1033271493.db2.gz MSRQDXIJKGVSLQ-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055760 1033271504 /nfs/dbraw/zinc/27/15/04/1033271504.db2.gz MSRQDXIJKGVSLQ-WDEREUQCSA-N 1 2 332.391 3.620 20 0 EHADLO C[C@H](CC(=O)NCC1(c2ccc(F)cc2)CCCCC1)n1cc[nH+]c1 ZINC000521254749 1025294849 /nfs/dbraw/zinc/29/48/49/1025294849.db2.gz PNQUKNPKWDAYGM-MRXNPFEDSA-N 1 2 343.446 3.992 20 0 EHADLO Cc1nc(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3nccc(N)n3)cc2)cs1 ZINC000521266513 1025298748 /nfs/dbraw/zinc/29/87/48/1025298748.db2.gz CPNJRZLFDWXYHQ-NEPJUHHUSA-N 1 2 339.468 3.733 20 0 EHADLO C[NH+](C)C1(c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000896284731 1025318655 /nfs/dbraw/zinc/31/86/55/1025318655.db2.gz YKEQEDAYYXVBJY-LLVKDONJSA-N 1 2 329.297 3.698 20 0 EHADLO CC(C)(C)[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000375669836 1025343073 /nfs/dbraw/zinc/34/30/73/1025343073.db2.gz WHVOFIRQUPLDTC-INIZCTEOSA-N 1 2 344.503 3.518 20 0 EHADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2)c(F)c1 ZINC000346967208 1025362078 /nfs/dbraw/zinc/36/20/78/1025362078.db2.gz DQEOJAYBEDCVRJ-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)n2)c(F)c1 ZINC000346967208 1025362087 /nfs/dbraw/zinc/36/20/87/1025362087.db2.gz DQEOJAYBEDCVRJ-SFHVURJKSA-N 1 2 340.377 3.883 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Br)c2)[C@H]1[C@@H]1CCCO1 ZINC000515559331 1025367261 /nfs/dbraw/zinc/36/72/61/1025367261.db2.gz NJEFDJWUYMWVIA-GJZGRUSLSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Br)c2)[C@H]1[C@@H]1CCCO1 ZINC000515559331 1025367275 /nfs/dbraw/zinc/36/72/75/1025367275.db2.gz NJEFDJWUYMWVIA-GJZGRUSLSA-N 1 2 342.252 3.978 20 0 EHADLO CC/C=C\C[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639229240 1025379187 /nfs/dbraw/zinc/37/91/87/1025379187.db2.gz ZCJJYXQPIDLVFQ-WAYWQWQTSA-N 1 2 345.468 3.892 20 0 EHADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000346985538 1025386145 /nfs/dbraw/zinc/38/61/45/1025386145.db2.gz OYQWHSGLXGWSGB-AWEZNQCLSA-N 1 2 345.874 3.710 20 0 EHADLO CCSc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000347023098 1025426896 /nfs/dbraw/zinc/42/68/96/1025426896.db2.gz PKVQGXGAXVAVNY-UHFFFAOYSA-N 1 2 329.469 3.604 20 0 EHADLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c2c(n1)CCCC2 ZINC000896422325 1025432758 /nfs/dbraw/zinc/43/27/58/1025432758.db2.gz ADBYNSCXTXYQKW-PXNSSMCTSA-N 1 2 326.415 3.830 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031691 1025437573 /nfs/dbraw/zinc/43/75/73/1025437573.db2.gz FFWNQMTWLBTOAQ-CXAGYDPISA-N 1 2 345.443 3.685 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)n1 ZINC000347031691 1025437578 /nfs/dbraw/zinc/43/75/78/1025437578.db2.gz FFWNQMTWLBTOAQ-CXAGYDPISA-N 1 2 345.443 3.685 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@H+](CCOC3CCC3)CCO2)c1 ZINC000347051187 1025445634 /nfs/dbraw/zinc/44/56/34/1025445634.db2.gz JUKWWTOJIHGFKG-MRXNPFEDSA-N 1 2 329.362 3.648 20 0 EHADLO FC(F)(F)c1cccc([C@H]2C[N@@H+](CCOC3CCC3)CCO2)c1 ZINC000347051187 1025445639 /nfs/dbraw/zinc/44/56/39/1025445639.db2.gz JUKWWTOJIHGFKG-MRXNPFEDSA-N 1 2 329.362 3.648 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1nc(-c2cccnc2)no1 ZINC000521570405 1025474974 /nfs/dbraw/zinc/47/49/74/1025474974.db2.gz WQTWVCPXWDOOMT-GOSISDBHSA-N 1 2 349.438 3.502 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3c4c(cc5c3CCC5)CCC4)[nH+]c12 ZINC000582155967 1025479774 /nfs/dbraw/zinc/47/97/74/1025479774.db2.gz KTSZRLHOIMADAS-UHFFFAOYSA-N 1 2 345.446 3.801 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@@](=O)C1 ZINC000277511550 1025548827 /nfs/dbraw/zinc/54/88/27/1025548827.db2.gz QDQFOJRXAANTRM-QMHKHESXSA-N 1 2 329.465 3.679 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@@](=O)C1 ZINC000277511550 1025548828 /nfs/dbraw/zinc/54/88/28/1025548828.db2.gz QDQFOJRXAANTRM-QMHKHESXSA-N 1 2 329.465 3.679 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccc(F)cc1F ZINC000582194375 1025561436 /nfs/dbraw/zinc/56/14/36/1025561436.db2.gz FLZLHROGHBMXMK-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccc(F)cc1F ZINC000582194375 1025561448 /nfs/dbraw/zinc/56/14/48/1025561448.db2.gz FLZLHROGHBMXMK-LBPRGKRZSA-N 1 2 334.341 3.532 20 0 EHADLO CCc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1F ZINC000530288796 1025593861 /nfs/dbraw/zinc/59/38/61/1025593861.db2.gz PBVMIYUKSGXCAW-ZDUSSCGKSA-N 1 2 329.419 3.978 20 0 EHADLO CCc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1F ZINC000530288796 1025593870 /nfs/dbraw/zinc/59/38/70/1025593870.db2.gz PBVMIYUKSGXCAW-ZDUSSCGKSA-N 1 2 329.419 3.978 20 0 EHADLO Cc1ccc(-c2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n[nH]2)s1 ZINC000303675501 1025599394 /nfs/dbraw/zinc/59/93/94/1025599394.db2.gz HPAIKVHOIKHENZ-UHFFFAOYSA-N 1 2 349.419 3.885 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)C2 ZINC000530300958 1025616653 /nfs/dbraw/zinc/61/66/53/1025616653.db2.gz WNPMHQSVGYXXDM-RRFJBIMHSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)CC2 ZINC000530300958 1025616657 /nfs/dbraw/zinc/61/66/57/1025616657.db2.gz WNPMHQSVGYXXDM-RRFJBIMHSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000664546868 1025618773 /nfs/dbraw/zinc/61/87/73/1025618773.db2.gz PDBFVWQYKKOWKU-AWEZNQCLSA-N 1 2 332.492 3.782 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C2 ZINC000530309144 1025631406 /nfs/dbraw/zinc/63/14/06/1025631406.db2.gz GAYSZHOUHHUBQJ-YQQAZPJKSA-N 1 2 329.488 3.723 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)CC2 ZINC000530309144 1025631417 /nfs/dbraw/zinc/63/14/17/1025631417.db2.gz GAYSZHOUHHUBQJ-YQQAZPJKSA-N 1 2 329.488 3.723 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCSCC[C@@H]3C)n2)c1 ZINC000329156759 1025632393 /nfs/dbraw/zinc/63/23/93/1025632393.db2.gz CAYZLRGMXZKTBG-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCSCC[C@@H]3C)n2)c1 ZINC000329156759 1025632410 /nfs/dbraw/zinc/63/24/10/1025632410.db2.gz CAYZLRGMXZKTBG-HNNXBMFYSA-N 1 2 347.484 3.593 20 0 EHADLO CC(C)CCc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000521737075 1025644791 /nfs/dbraw/zinc/64/47/91/1025644791.db2.gz QMGGBHKVWGGATB-UHFFFAOYSA-N 1 2 326.444 3.904 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)C[C@H](CO)O1 ZINC000347202529 1025645106 /nfs/dbraw/zinc/64/51/06/1025645106.db2.gz FQHKKBOVUSNBCZ-VQIMIIECSA-N 1 2 343.492 3.561 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)C[C@H](CO)O1 ZINC000347202529 1025645116 /nfs/dbraw/zinc/64/51/16/1025645116.db2.gz FQHKKBOVUSNBCZ-VQIMIIECSA-N 1 2 343.492 3.561 20 0 EHADLO COc1ccc(Cl)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000451205019 1025675799 /nfs/dbraw/zinc/67/57/99/1025675799.db2.gz AZZXWLBBVWVWJI-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO COc1ccc(Cl)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000451205019 1025675807 /nfs/dbraw/zinc/67/58/07/1025675807.db2.gz AZZXWLBBVWVWJI-UHFFFAOYSA-N 1 2 344.842 3.612 20 0 EHADLO CC[N@H+](C)[C@H](c1nc([C@@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612916 1025708703 /nfs/dbraw/zinc/70/87/03/1025708703.db2.gz LLBHHAWUKHXIQF-YPMHNXCESA-N 1 2 343.349 3.751 20 0 EHADLO CC[N@@H+](C)[C@H](c1nc([C@@H](C)OCC(F)(F)F)no1)c1ccccc1 ZINC000896612916 1025708715 /nfs/dbraw/zinc/70/87/15/1025708715.db2.gz LLBHHAWUKHXIQF-YPMHNXCESA-N 1 2 343.349 3.751 20 0 EHADLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329291969 1025728488 /nfs/dbraw/zinc/72/84/88/1025728488.db2.gz NOMSERJNQLUREP-GJZGRUSLSA-N 1 2 332.835 3.578 20 0 EHADLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329291961 1025728742 /nfs/dbraw/zinc/72/87/42/1025728742.db2.gz NOMSERJNQLUREP-CABCVRRESA-N 1 2 332.835 3.578 20 0 EHADLO CC(C)CCc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000521858278 1025732680 /nfs/dbraw/zinc/73/26/80/1025732680.db2.gz PWVPVGUCNREMLD-UHFFFAOYSA-N 1 2 347.503 3.508 20 0 EHADLO C[C@H](CC(=O)N(C)c1nc2cccc(Cl)c2s1)n1cc[nH+]c1 ZINC000521881152 1025746999 /nfs/dbraw/zinc/74/69/99/1025746999.db2.gz RSWAKCRRLPZEBR-SNVBAGLBSA-N 1 2 334.832 3.760 20 0 EHADLO O=C([C@H]1CCC[C@H]1c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000451283046 1025759891 /nfs/dbraw/zinc/75/98/91/1025759891.db2.gz FGYIIWKENIEEIA-AABGKKOBSA-N 1 2 336.435 3.645 20 0 EHADLO Cc1cccc(CN(CC(C)C)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000521892045 1025764955 /nfs/dbraw/zinc/76/49/55/1025764955.db2.gz STCMQWKLVIBIRH-UHFFFAOYSA-N 1 2 342.487 3.840 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000081318818 1025767288 /nfs/dbraw/zinc/76/72/88/1025767288.db2.gz UZJGTMUQODXBTM-SFHVURJKSA-N 1 2 325.456 3.791 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000521896560 1025767922 /nfs/dbraw/zinc/76/79/22/1025767922.db2.gz QFNYUDSETZVJID-XNRPHZJLSA-N 1 2 333.476 3.673 20 0 EHADLO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1OC ZINC000474893099 1025774470 /nfs/dbraw/zinc/77/44/70/1025774470.db2.gz BDDWJUWZBPYPLL-MGPQQGTHSA-N 1 2 337.460 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)N(C)CCOc2ccccc2C)c(C)[nH+]1 ZINC000436498794 1025782173 /nfs/dbraw/zinc/78/21/73/1025782173.db2.gz VWCOOPKLZSIZTE-UHFFFAOYSA-N 1 2 327.428 3.858 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444153254 1025788197 /nfs/dbraw/zinc/78/81/97/1025788197.db2.gz XQUQWLKRDHHUCI-FUHWJXTLSA-N 1 2 344.503 3.518 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC000896660233 1025797509 /nfs/dbraw/zinc/79/75/09/1025797509.db2.gz LOXWIKQLVSOKBS-UHFFFAOYSA-N 1 2 326.831 3.976 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc(Cl)cc3cc(F)ccc31)C2 ZINC000896654672 1025813822 /nfs/dbraw/zinc/81/38/22/1025813822.db2.gz QAGMQMKLUNRKRS-UHFFFAOYSA-N 1 2 330.794 3.806 20 0 EHADLO CS[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328088 1025831281 /nfs/dbraw/zinc/83/12/81/1025831281.db2.gz UKJPJIQXBOUTEM-BXUZGUMPSA-N 1 2 345.295 3.536 20 0 EHADLO CS[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000451328088 1025831296 /nfs/dbraw/zinc/83/12/96/1025831296.db2.gz UKJPJIQXBOUTEM-BXUZGUMPSA-N 1 2 345.295 3.536 20 0 EHADLO CC(C)(C)OCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425579797 1025840209 /nfs/dbraw/zinc/84/02/09/1025840209.db2.gz XVGUWYDFIJMITO-UHFFFAOYSA-N 1 2 327.428 3.640 20 0 EHADLO C[S@@](=O)C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000121841868 1025909690 /nfs/dbraw/zinc/90/96/90/1025909690.db2.gz KPNATHXNYDZGNT-WNSKOXEYSA-N 1 2 346.477 3.613 20 0 EHADLO COc1ccc2nc(C[NH2+][C@@H]3COc4ccc(C)cc43)sc2c1 ZINC000530493968 1025911102 /nfs/dbraw/zinc/91/11/02/1025911102.db2.gz LDUFEWGAUHSJAY-OAHLLOKOSA-N 1 2 326.421 3.837 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000342504691 1025929837 /nfs/dbraw/zinc/92/98/37/1025929837.db2.gz RYLGHNLFRFGFDI-UHFFFAOYSA-N 1 2 333.819 3.744 20 0 EHADLO CC(C)c1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(O)c1 ZINC000436650559 1025976769 /nfs/dbraw/zinc/97/67/69/1025976769.db2.gz RXFKTHSESWMYDE-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1Cc1ccco1 ZINC000444257743 1025984711 /nfs/dbraw/zinc/98/47/11/1025984711.db2.gz FFZMBPUXUYENGS-GOEBONIOSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(C)n1Cc1ccco1 ZINC000444257743 1025984726 /nfs/dbraw/zinc/98/47/26/1025984726.db2.gz FFZMBPUXUYENGS-GOEBONIOSA-N 1 2 346.496 3.755 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000191187480 1025988003 /nfs/dbraw/zinc/98/80/03/1025988003.db2.gz XPAIZDKOEYERGD-UHFFFAOYSA-N 1 2 343.858 3.964 20 0 EHADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451472578 1026018194 /nfs/dbraw/zinc/01/81/94/1026018194.db2.gz STTYLCUHHOHBML-JFIYKMOQSA-N 1 2 329.488 3.608 20 0 EHADLO C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451485493 1026028191 /nfs/dbraw/zinc/02/81/91/1026028191.db2.gz BCCBRQIKUUEDSE-MGPUTAFESA-N 1 2 329.488 3.752 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000516134791 1026033468 /nfs/dbraw/zinc/03/34/68/1026033468.db2.gz SOEWTJMKFPKMLZ-KRWDZBQOSA-N 1 2 344.484 3.574 20 0 EHADLO CC1(C)Cc2cccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000530555871 1026046719 /nfs/dbraw/zinc/04/67/19/1026046719.db2.gz ODOMHFBXZHHUEV-CQSZACIVSA-N 1 2 340.427 3.535 20 0 EHADLO CCc1nnc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)o1 ZINC000451533868 1026054898 /nfs/dbraw/zinc/05/48/98/1026054898.db2.gz XBFYOMBYNRBUPX-UHFFFAOYSA-N 1 2 337.826 3.832 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327723 1026062419 /nfs/dbraw/zinc/06/24/19/1026062419.db2.gz ICNHCDOSDNBOBY-HUUCEWRRSA-N 1 2 344.430 3.532 20 0 EHADLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327723 1026062431 /nfs/dbraw/zinc/06/24/31/1026062431.db2.gz ICNHCDOSDNBOBY-HUUCEWRRSA-N 1 2 344.430 3.532 20 0 EHADLO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000895185343 1026062434 /nfs/dbraw/zinc/06/24/34/1026062434.db2.gz ZFGPMMWUFXYLNP-WMZOPIPTSA-N 1 2 331.456 3.590 20 0 EHADLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000158514513 1026071940 /nfs/dbraw/zinc/07/19/40/1026071940.db2.gz OPAJVPZXEMAYNA-UHFFFAOYSA-N 1 2 343.858 3.621 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC001141920033 1026094527 /nfs/dbraw/zinc/09/45/27/1026094527.db2.gz IWXSVRMSKUVYLG-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO CC(F)(F)C(C)(C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820324 1026080965 /nfs/dbraw/zinc/08/09/65/1026080965.db2.gz DAAAUMIVEMGEQO-UHFFFAOYSA-N 1 2 332.354 3.779 20 0 EHADLO CCc1cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)nc(-c2ccncc2)n1 ZINC000895193938 1026089028 /nfs/dbraw/zinc/08/90/28/1026089028.db2.gz WQMXROVWIFUMBY-QGZVFWFLSA-N 1 2 348.454 3.782 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC001141920033 1026094511 /nfs/dbraw/zinc/09/45/11/1026094511.db2.gz IWXSVRMSKUVYLG-KOLCDFICSA-N 1 2 334.204 3.727 20 0 EHADLO Cc1noc(C)c1[C@H](C)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896825335 1026100619 /nfs/dbraw/zinc/10/06/19/1026100619.db2.gz IFUMKVQFWANBDZ-LBPRGKRZSA-N 1 2 349.394 3.603 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c[nH+]1 ZINC000896826972 1026105243 /nfs/dbraw/zinc/10/52/43/1026105243.db2.gz HYYUJMIVASMVOJ-MRXNPFEDSA-N 1 2 348.450 3.866 20 0 EHADLO CO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1(C)C ZINC000451555037 1026106966 /nfs/dbraw/zinc/10/69/66/1026106966.db2.gz QQEGUIBCWKHHGC-CQSZACIVSA-N 1 2 342.270 3.888 20 0 EHADLO CO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1(C)C ZINC000451555037 1026106977 /nfs/dbraw/zinc/10/69/77/1026106977.db2.gz QQEGUIBCWKHHGC-CQSZACIVSA-N 1 2 342.270 3.888 20 0 EHADLO COC[C@@H](C)Oc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000657414076 1026116199 /nfs/dbraw/zinc/11/61/99/1026116199.db2.gz XUCDGTWFOFJFGW-MRXNPFEDSA-N 1 2 341.455 3.708 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)s1 ZINC000122021749 1026154791 /nfs/dbraw/zinc/15/47/91/1026154791.db2.gz YNXQDBCEXJTSDA-UONOGXRCSA-N 1 2 349.544 3.796 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)s1 ZINC000122021749 1026154794 /nfs/dbraw/zinc/15/47/94/1026154794.db2.gz YNXQDBCEXJTSDA-UONOGXRCSA-N 1 2 349.544 3.796 20 0 EHADLO C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451672146 1026203881 /nfs/dbraw/zinc/20/38/81/1026203881.db2.gz ROPUSGPCPSPTKC-GQIGUUNPSA-N 1 2 329.488 3.752 20 0 EHADLO COc1ccc(COCCCNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000530691687 1026207016 /nfs/dbraw/zinc/20/70/16/1026207016.db2.gz LIOPOBSWFDIYFA-UHFFFAOYSA-N 1 2 340.345 3.550 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000582447583 1026279540 /nfs/dbraw/zinc/27/95/40/1026279540.db2.gz UCPUPJJNSZPPCE-CABCVRRESA-N 1 2 339.439 3.640 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152524600 1026286797 /nfs/dbraw/zinc/28/67/97/1026286797.db2.gz SEOGPIMWHQLRQS-APWZRJJASA-N 1 2 325.456 3.658 20 0 EHADLO CC(C)CC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000530786605 1026302326 /nfs/dbraw/zinc/30/23/26/1026302326.db2.gz PSIZFNAPWZMLJC-UHFFFAOYSA-N 1 2 332.492 3.905 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475189205 1026312595 /nfs/dbraw/zinc/31/25/95/1026312595.db2.gz HXLOBTGVUFMRCA-AZUAARDMSA-N 1 2 343.515 3.589 20 0 EHADLO CC(C)(C)C1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000582456758 1026315800 /nfs/dbraw/zinc/31/58/00/1026315800.db2.gz IYDBABLTZYFSAT-UHFFFAOYSA-N 1 2 339.483 3.759 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451842233 1026321716 /nfs/dbraw/zinc/32/17/16/1026321716.db2.gz QWHWJGGWADSWHR-PBHICJAKSA-N 1 2 344.480 3.616 20 0 EHADLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451842233 1026321725 /nfs/dbraw/zinc/32/17/25/1026321725.db2.gz QWHWJGGWADSWHR-PBHICJAKSA-N 1 2 344.480 3.616 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847904 1026341979 /nfs/dbraw/zinc/34/19/79/1026341979.db2.gz YYFCFIWGFJCVHB-KONPQCLYSA-N 1 2 330.472 3.985 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847904 1026341989 /nfs/dbraw/zinc/34/19/89/1026341989.db2.gz YYFCFIWGFJCVHB-KONPQCLYSA-N 1 2 330.472 3.985 20 0 EHADLO CCn1cc([C@H](C)[NH2+]Cc2nc3ccc(Br)cc3o2)cn1 ZINC000451885770 1026353496 /nfs/dbraw/zinc/35/34/96/1026353496.db2.gz BIZIILMZLWHSBX-JTQLQIEISA-N 1 2 349.232 3.658 20 0 EHADLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2nccs2)nc[nH+]1 ZINC000413491120 1026354971 /nfs/dbraw/zinc/35/49/71/1026354971.db2.gz YPAYJCINRLITGV-HEHGZKQESA-N 1 2 347.488 3.722 20 0 EHADLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1 ZINC000413491120 1026354987 /nfs/dbraw/zinc/35/49/87/1026354987.db2.gz YPAYJCINRLITGV-HEHGZKQESA-N 1 2 347.488 3.722 20 0 EHADLO c1cn(-c2ccc(-c3nc([C@H]4CCOC5(CCC5)C4)no3)cc2)c[nH+]1 ZINC000897105097 1026355380 /nfs/dbraw/zinc/35/53/80/1026355380.db2.gz SCLABKBKTXNKED-HNNXBMFYSA-N 1 2 336.395 3.739 20 0 EHADLO CC(C)n1ccnc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915550 1026379709 /nfs/dbraw/zinc/37/97/09/1026379709.db2.gz UFAPRBIACGSYGN-MRXNPFEDSA-N 1 2 342.270 3.768 20 0 EHADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cccnc1 ZINC000167835426 1026379909 /nfs/dbraw/zinc/37/99/09/1026379909.db2.gz NNBRNCSIDUKRSH-UHFFFAOYSA-N 1 2 331.217 3.826 20 0 EHADLO Fc1cccc(CC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c1F ZINC000451955132 1026414581 /nfs/dbraw/zinc/41/45/81/1026414581.db2.gz CXAZBJULAQHRCC-UHFFFAOYSA-N 1 2 333.382 3.680 20 0 EHADLO CC(C)Cn1ncnc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451957687 1026416397 /nfs/dbraw/zinc/41/63/97/1026416397.db2.gz JRISDKYHFRGSQY-UHFFFAOYSA-N 1 2 348.441 3.667 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986519 1026422793 /nfs/dbraw/zinc/42/27/93/1026422793.db2.gz XWPVIFJJWSWSDM-QGZVFWFLSA-N 1 2 338.904 3.806 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986519 1026422799 /nfs/dbraw/zinc/42/27/99/1026422799.db2.gz XWPVIFJJWSWSDM-QGZVFWFLSA-N 1 2 338.904 3.806 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000452013661 1026437253 /nfs/dbraw/zinc/43/72/53/1026437253.db2.gz SWNVBNDLYPKOKP-GFCCVEGCSA-N 1 2 330.457 3.553 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000452013661 1026437257 /nfs/dbraw/zinc/43/72/57/1026437257.db2.gz SWNVBNDLYPKOKP-GFCCVEGCSA-N 1 2 330.457 3.553 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000452006648 1026443879 /nfs/dbraw/zinc/44/38/79/1026443879.db2.gz MCTOPTNUXAXMSH-LLVKDONJSA-N 1 2 325.250 3.651 20 0 EHADLO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1ccccc1Br ZINC000452006648 1026443882 /nfs/dbraw/zinc/44/38/82/1026443882.db2.gz MCTOPTNUXAXMSH-LLVKDONJSA-N 1 2 325.250 3.651 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652289 1026444621 /nfs/dbraw/zinc/44/46/21/1026444621.db2.gz CZGWXSGQMXFJDN-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652289 1026444625 /nfs/dbraw/zinc/44/46/25/1026444625.db2.gz CZGWXSGQMXFJDN-GXFFZTMASA-N 1 2 346.374 3.538 20 0 EHADLO CC(C)(C)c1coc(CNc2cc(NCc3ccccc3)[nH+]cn2)n1 ZINC000897172776 1026447032 /nfs/dbraw/zinc/44/70/32/1026447032.db2.gz VZTNRGYEXZOJNU-UHFFFAOYSA-N 1 2 337.427 3.986 20 0 EHADLO CC(C)(C)c1coc(CNc2cc(NCc3ccccc3)nc[nH+]2)n1 ZINC000897172776 1026447040 /nfs/dbraw/zinc/44/70/40/1026447040.db2.gz VZTNRGYEXZOJNU-UHFFFAOYSA-N 1 2 337.427 3.986 20 0 EHADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000152659776 1026481392 /nfs/dbraw/zinc/48/13/92/1026481392.db2.gz YFKIBXJTBJITJZ-NSHDSACASA-N 1 2 332.329 3.535 20 0 EHADLO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(F)ccc1F ZINC000152644271 1026481466 /nfs/dbraw/zinc/48/14/66/1026481466.db2.gz VGAAAOSKQIQFNI-QGZVFWFLSA-N 1 2 328.366 3.786 20 0 EHADLO Cc1cccc2c1CC(C)(C)N(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC000582528513 1026493767 /nfs/dbraw/zinc/49/37/67/1026493767.db2.gz CPZKCZIQCPHVBF-UHFFFAOYSA-N 1 2 346.434 3.553 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000897212900 1026501046 /nfs/dbraw/zinc/50/10/46/1026501046.db2.gz BAKIZNFWAFSPAF-CVEARBPZSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000897212900 1026501053 /nfs/dbraw/zinc/50/10/53/1026501053.db2.gz BAKIZNFWAFSPAF-CVEARBPZSA-N 1 2 336.838 3.531 20 0 EHADLO CN(CC1CCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159153595 1026502062 /nfs/dbraw/zinc/50/20/62/1026502062.db2.gz FCTXGUKERXEVQH-UHFFFAOYSA-N 1 2 342.443 3.616 20 0 EHADLO Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000475366454 1026522441 /nfs/dbraw/zinc/52/24/41/1026522441.db2.gz DRBJDPJCRPGTAK-IBGZPJMESA-N 1 2 348.450 3.998 20 0 EHADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1Br)CO2 ZINC000546657566 1026536041 /nfs/dbraw/zinc/53/60/41/1026536041.db2.gz HIJGQZMNKCSZGS-CQSZACIVSA-N 1 2 340.167 3.951 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342644332 1026547840 /nfs/dbraw/zinc/54/78/40/1026547840.db2.gz RTODXWONTRECNJ-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342644332 1026547848 /nfs/dbraw/zinc/54/78/48/1026547848.db2.gz RTODXWONTRECNJ-GFCCVEGCSA-N 1 2 336.819 3.709 20 0 EHADLO COc1nn(C)cc1CNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000897242548 1026556055 /nfs/dbraw/zinc/55/60/55/1026556055.db2.gz BLAWULSKVTYULZ-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000531101509 1026570639 /nfs/dbraw/zinc/57/06/39/1026570639.db2.gz JGEIIEWPWAESSW-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000531101509 1026570644 /nfs/dbraw/zinc/57/06/44/1026570644.db2.gz JGEIIEWPWAESSW-SFHVURJKSA-N 1 2 326.465 3.724 20 0 EHADLO Fc1ccc(-n2ccc(COc3ccccc3-n3cc[nH+]c3)n2)cc1 ZINC000531111400 1026585278 /nfs/dbraw/zinc/58/52/78/1026585278.db2.gz CZFCECPSAZDAIC-UHFFFAOYSA-N 1 2 334.354 3.776 20 0 EHADLO Cc1c(Br)cncc1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000657466091 1026586285 /nfs/dbraw/zinc/58/62/85/1026586285.db2.gz QAGBUGAOZBFYTI-SECBINFHSA-N 1 2 342.187 3.677 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3ccc(Cl)cc32)c1C ZINC000051755947 1026634443 /nfs/dbraw/zinc/63/44/43/1026634443.db2.gz SRFDZEVAPSSGGK-UHFFFAOYSA-N 1 2 345.830 3.633 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000452331120 1026663032 /nfs/dbraw/zinc/66/30/32/1026663032.db2.gz CFMKSAFCVUKTOU-RQJABVFESA-N 1 2 325.412 3.678 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000452332614 1026664365 /nfs/dbraw/zinc/66/43/65/1026664365.db2.gz HSMWXQUJCVLEOP-CHWSQXEVSA-N 1 2 347.365 3.563 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCCC1(F)F)C2 ZINC000452315904 1026676593 /nfs/dbraw/zinc/67/65/93/1026676593.db2.gz WIFTYIIANABHLN-QWHCGFSZSA-N 1 2 339.430 3.580 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCCC1(F)F)CC2 ZINC000452315904 1026676601 /nfs/dbraw/zinc/67/66/01/1026676601.db2.gz WIFTYIIANABHLN-QWHCGFSZSA-N 1 2 339.430 3.580 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H](C)O1 ZINC000119956987 1026687287 /nfs/dbraw/zinc/68/72/87/1026687287.db2.gz DWTHVLOITJYUGO-DZGCQCFKSA-N 1 2 333.863 3.740 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H](C)O1 ZINC000119956987 1026687294 /nfs/dbraw/zinc/68/72/94/1026687294.db2.gz DWTHVLOITJYUGO-DZGCQCFKSA-N 1 2 333.863 3.740 20 0 EHADLO CCc1ccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(C)n1 ZINC000452359702 1026689946 /nfs/dbraw/zinc/68/99/46/1026689946.db2.gz VOYNYPABWAHDBP-UHFFFAOYSA-N 1 2 334.423 3.819 20 0 EHADLO COCc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)s1 ZINC000342685937 1026720067 /nfs/dbraw/zinc/72/00/67/1026720067.db2.gz XJXKLCLXZSQWLF-OAHLLOKOSA-N 1 2 348.468 3.644 20 0 EHADLO COCc1cnc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)s1 ZINC000342685937 1026720077 /nfs/dbraw/zinc/72/00/77/1026720077.db2.gz XJXKLCLXZSQWLF-OAHLLOKOSA-N 1 2 348.468 3.644 20 0 EHADLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000684934667 1026742152 /nfs/dbraw/zinc/74/21/52/1026742152.db2.gz VJTJVGLCNOHGHU-ZBFHGGJFSA-N 1 2 344.484 3.713 20 0 EHADLO CCCn1ncc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1C1CC1 ZINC000452465183 1026764187 /nfs/dbraw/zinc/76/41/87/1026764187.db2.gz LAMGTVDGLHPCCB-UHFFFAOYSA-N 1 2 349.438 3.668 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1F ZINC000127984157 1026773714 /nfs/dbraw/zinc/77/37/14/1026773714.db2.gz YFGHMJSXHVKGAH-UHFFFAOYSA-N 1 2 348.805 3.564 20 0 EHADLO Oc1ccc2c(c1)C[N@@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342705622 1026784045 /nfs/dbraw/zinc/78/40/45/1026784045.db2.gz OUGITSRJIRWKBG-UHFFFAOYSA-N 1 2 325.437 3.537 20 0 EHADLO Oc1ccc2c(c1)C[N@H+](Cc1c(C3CC3)nc3sccn13)CC2 ZINC000342705622 1026784056 /nfs/dbraw/zinc/78/40/56/1026784056.db2.gz OUGITSRJIRWKBG-UHFFFAOYSA-N 1 2 325.437 3.537 20 0 EHADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccncc1 ZINC000301402358 1026793181 /nfs/dbraw/zinc/79/31/81/1026793181.db2.gz RBULIPFTCHZVNB-QGZVFWFLSA-N 1 2 330.395 3.774 20 0 EHADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898825 1026808040 /nfs/dbraw/zinc/80/80/40/1026808040.db2.gz LTVSTJCXGQIJFQ-CABCVRRESA-N 1 2 344.528 3.864 20 0 EHADLO CCc1nccn1[C@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898825 1026808059 /nfs/dbraw/zinc/80/80/59/1026808059.db2.gz LTVSTJCXGQIJFQ-CABCVRRESA-N 1 2 344.528 3.864 20 0 EHADLO CCc1nccn1[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000122898825 1026808073 /nfs/dbraw/zinc/80/80/73/1026808073.db2.gz LTVSTJCXGQIJFQ-CABCVRRESA-N 1 2 344.528 3.864 20 0 EHADLO CSCc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375724431 1026839021 /nfs/dbraw/zinc/83/90/21/1026839021.db2.gz LDOFHVKSTWINNI-CQSZACIVSA-N 1 2 344.484 3.695 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@H]1n1cc[nH+]c1 ZINC000122906607 1026853603 /nfs/dbraw/zinc/85/36/03/1026853603.db2.gz YWYRRWWUFPUUCG-OXJNMPFZSA-N 1 2 348.450 3.612 20 0 EHADLO Brc1cccc2c(N3CC[C@@]4(CCOC4)C3)cc[nH+]c12 ZINC000301589160 1026863503 /nfs/dbraw/zinc/86/35/03/1026863503.db2.gz CEGRHQBQUYBFTE-MRXNPFEDSA-N 1 2 333.229 3.614 20 0 EHADLO C[NH+](C)[C@H](CNc1ccnc(C(C)(C)C)n1)c1c(F)cccc1F ZINC000301607693 1026871877 /nfs/dbraw/zinc/87/18/77/1026871877.db2.gz ZKQJRJGGGWGIMP-CQSZACIVSA-N 1 2 334.414 3.767 20 0 EHADLO COCc1cc(Nc2ccc(N3CCCC3)[nH+]c2)nc(C(C)(C)C)n1 ZINC000301622538 1026880002 /nfs/dbraw/zinc/88/00/02/1026880002.db2.gz DWVQEBFGAVOGBQ-UHFFFAOYSA-N 1 2 341.459 3.659 20 0 EHADLO O=C(Nc1cc(F)cc(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000152977281 1026907130 /nfs/dbraw/zinc/90/71/30/1026907130.db2.gz DDYGJSNLZWPSLY-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000431471171 1026937384 /nfs/dbraw/zinc/93/73/84/1026937384.db2.gz NVYQNUOSZXDZQN-SFHVURJKSA-N 1 2 333.391 3.549 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000666003641 1026958862 /nfs/dbraw/zinc/95/88/62/1026958862.db2.gz JTBAMYDUTFBORK-HOTGVXAUSA-N 1 2 333.476 3.638 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000305765178 1026965800 /nfs/dbraw/zinc/96/58/00/1026965800.db2.gz GXWBMMCEVRZTPY-QGZVFWFLSA-N 1 2 326.371 3.694 20 0 EHADLO COc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301867056 1026971581 /nfs/dbraw/zinc/97/15/81/1026971581.db2.gz GILKIUXLCSHNAQ-UHFFFAOYSA-N 1 2 325.416 3.510 20 0 EHADLO OCC[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000305789946 1026984936 /nfs/dbraw/zinc/98/49/36/1026984936.db2.gz ZRQSJWYMZLRIMJ-INIZCTEOSA-N 1 2 343.814 3.603 20 0 EHADLO CCc1ncnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1F ZINC000301999139 1027019050 /nfs/dbraw/zinc/01/90/50/1027019050.db2.gz PPUHFRMGOCMKJJ-CYBMUJFWSA-N 1 2 348.853 3.715 20 0 EHADLO CCS(=O)(=O)c1ccc(CNc2[nH+]c3ccccc3cc2C)cc1 ZINC000302018072 1027025291 /nfs/dbraw/zinc/02/52/91/1027025291.db2.gz CYBSPZBUMILFGR-UHFFFAOYSA-N 1 2 340.448 3.949 20 0 EHADLO C[C@@H](Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1C[N@H+](C)CCO1 ZINC000302103268 1027053950 /nfs/dbraw/zinc/05/39/50/1027053950.db2.gz WBPGQLUADXLRAT-ABAIWWIYSA-N 1 2 337.876 3.595 20 0 EHADLO C[C@@H](Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000302103268 1027053961 /nfs/dbraw/zinc/05/39/61/1027053961.db2.gz WBPGQLUADXLRAT-ABAIWWIYSA-N 1 2 337.876 3.595 20 0 EHADLO Clc1ccccc1-c1csc(NCCC[NH+]2CCOCC2)n1 ZINC000302107799 1027055800 /nfs/dbraw/zinc/05/58/00/1027055800.db2.gz YFAYYQKODVNQOF-UHFFFAOYSA-N 1 2 337.876 3.598 20 0 EHADLO OC[C@H]1CCCCN1c1cc(NCc2cccc3ccccc32)[nH+]cn1 ZINC000302131925 1027065131 /nfs/dbraw/zinc/06/51/31/1027065131.db2.gz YKLSOEAOWYDJEF-GOSISDBHSA-N 1 2 348.450 3.593 20 0 EHADLO OC[C@H]1CCCCN1c1cc(NCc2cccc3ccccc32)nc[nH+]1 ZINC000302131925 1027065139 /nfs/dbraw/zinc/06/51/39/1027065139.db2.gz YKLSOEAOWYDJEF-GOSISDBHSA-N 1 2 348.450 3.593 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000342791497 1027092504 /nfs/dbraw/zinc/09/25/04/1027092504.db2.gz RFUAHFJNGDGTBK-IFXJQAMLSA-N 1 2 344.434 3.794 20 0 EHADLO CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000342791497 1027092519 /nfs/dbraw/zinc/09/25/19/1027092519.db2.gz RFUAHFJNGDGTBK-IFXJQAMLSA-N 1 2 344.434 3.794 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000074990510 1027094200 /nfs/dbraw/zinc/09/42/00/1027094200.db2.gz KEZIBYWWXHULHW-CABCVRRESA-N 1 2 347.434 3.932 20 0 EHADLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000074990510 1027094211 /nfs/dbraw/zinc/09/42/11/1027094211.db2.gz KEZIBYWWXHULHW-CABCVRRESA-N 1 2 347.434 3.932 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)Cc1ccco1 ZINC000531649516 1027142611 /nfs/dbraw/zinc/14/26/11/1027142611.db2.gz UPPUHVOVCWAUHW-HXUWFJFHSA-N 1 2 344.430 3.898 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)Cc1ccco1 ZINC000531649516 1027142621 /nfs/dbraw/zinc/14/26/21/1027142621.db2.gz UPPUHVOVCWAUHW-HXUWFJFHSA-N 1 2 344.430 3.898 20 0 EHADLO Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075531845 1027143125 /nfs/dbraw/zinc/14/31/25/1027143125.db2.gz XOGJDOZCXWSCOP-KRWDZBQOSA-N 1 2 341.455 3.673 20 0 EHADLO O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000126031224 1027154225 /nfs/dbraw/zinc/15/42/25/1027154225.db2.gz PYDISXNYJKLOLJ-GOSISDBHSA-N 1 2 331.419 3.675 20 0 EHADLO COc1cccc2c(NCc3ccc(N4CCCC4)nc3)cc[nH+]c12 ZINC000302485351 1027165026 /nfs/dbraw/zinc/16/50/26/1027165026.db2.gz XNJYJSZIXCXHMY-UHFFFAOYSA-N 1 2 334.423 3.851 20 0 EHADLO O=C(CCSc1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556473 1027170728 /nfs/dbraw/zinc/17/07/28/1027170728.db2.gz CCVBCRKSRYLNOU-ZDUSSCGKSA-N 1 2 349.887 3.952 20 0 EHADLO COc1ccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)cc1 ZINC000075996745 1027219510 /nfs/dbraw/zinc/21/95/10/1027219510.db2.gz WNWLIMHIKZGNJE-UHFFFAOYSA-N 1 2 341.333 3.520 20 0 EHADLO O=C(Nc1ccc(CNc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000126610289 1027221429 /nfs/dbraw/zinc/22/14/29/1027221429.db2.gz SWFNABBTSJGPEB-QGZVFWFLSA-N 1 2 346.434 3.696 20 0 EHADLO CCc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076051584 1027232261 /nfs/dbraw/zinc/23/22/61/1027232261.db2.gz IAZXQITYEIQHLG-YOEHRIQHSA-N 1 2 326.444 3.622 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076051589 1027232406 /nfs/dbraw/zinc/23/24/06/1027232406.db2.gz IAZXQITYEIQHLG-RHSMWYFYSA-N 1 2 326.444 3.622 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2cc(Cl)ccc2C1 ZINC000302703120 1027245768 /nfs/dbraw/zinc/24/57/68/1027245768.db2.gz INBGHZHKNZKMHS-UHFFFAOYSA-N 1 2 341.846 3.797 20 0 EHADLO FC(F)(F)c1cnc(N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000302765696 1027280846 /nfs/dbraw/zinc/28/08/46/1027280846.db2.gz LPBJLKOFYLWFAD-UHFFFAOYSA-N 1 2 333.404 3.546 20 0 EHADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1OC(C)C ZINC000127361221 1027301152 /nfs/dbraw/zinc/30/11/52/1027301152.db2.gz BXZQGIPDVOMCCF-UHFFFAOYSA-N 1 2 342.439 3.553 20 0 EHADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1OC(C)C ZINC000127361221 1027301169 /nfs/dbraw/zinc/30/11/69/1027301169.db2.gz BXZQGIPDVOMCCF-UHFFFAOYSA-N 1 2 342.439 3.553 20 0 EHADLO Cc1cc(C)n(-c2ccc([C@H](C)Nc3[nH+]c4ccccc4n3C)cc2)n1 ZINC000536502687 1027303893 /nfs/dbraw/zinc/30/38/93/1027303893.db2.gz VBALYHPPFZJMGB-INIZCTEOSA-N 1 2 345.450 3.971 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123436291 1027305772 /nfs/dbraw/zinc/30/57/72/1027305772.db2.gz AWRRLHZOJOYGGN-ZUZCIYMTSA-N 1 2 339.773 3.538 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302850174 1027327228 /nfs/dbraw/zinc/32/72/28/1027327228.db2.gz POQZJCDKHACUSD-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO Cc1cccc(C)c1[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302850174 1027327244 /nfs/dbraw/zinc/32/72/44/1027327244.db2.gz POQZJCDKHACUSD-OAHLLOKOSA-N 1 2 328.485 3.820 20 0 EHADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c2ncnn21 ZINC000657570362 1027334477 /nfs/dbraw/zinc/33/44/77/1027334477.db2.gz RVAMWSHDFFWPPD-NHYWBVRUSA-N 1 2 328.803 3.987 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640178093 1027339402 /nfs/dbraw/zinc/33/94/02/1027339402.db2.gz JBIDZSWDQQZAPS-GFCCVEGCSA-N 1 2 348.397 3.952 20 0 EHADLO c1ccc(CNc2nc(NCc3ccccn3)c3ccccc3[nH+]2)nc1 ZINC000076919752 1027340202 /nfs/dbraw/zinc/34/02/02/1027340202.db2.gz JICKLUOLOMHXQV-UHFFFAOYSA-N 1 2 342.406 3.644 20 0 EHADLO CC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000302879551 1027340472 /nfs/dbraw/zinc/34/04/72/1027340472.db2.gz HAJOWVMDKHHNIZ-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000302879551 1027340487 /nfs/dbraw/zinc/34/04/87/1027340487.db2.gz HAJOWVMDKHHNIZ-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO C[C@@H](CNc1cc(N2CCSCC2)nc[nH+]1)Sc1ccccc1 ZINC000302904373 1027355626 /nfs/dbraw/zinc/35/56/26/1027355626.db2.gz RUZHMARAVIFGPV-AWEZNQCLSA-N 1 2 346.525 3.623 20 0 EHADLO C[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)Sc1ccccc1 ZINC000302904373 1027355643 /nfs/dbraw/zinc/35/56/43/1027355643.db2.gz RUZHMARAVIFGPV-AWEZNQCLSA-N 1 2 346.525 3.623 20 0 EHADLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OC)nc3)n2)cc1 ZINC000273287374 1027358784 /nfs/dbraw/zinc/35/87/84/1027358784.db2.gz IAONNDNRUZCBKQ-CYBMUJFWSA-N 1 2 338.411 3.553 20 0 EHADLO C[C@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)[C@@H](c2ccco2)C1 ZINC000302917702 1027361863 /nfs/dbraw/zinc/36/18/63/1027361863.db2.gz XFZUJTMQHUQKKI-LSDHHAIUSA-N 1 2 344.484 3.600 20 0 EHADLO C[C@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)[C@@H](c2ccco2)C1 ZINC000302917702 1027361883 /nfs/dbraw/zinc/36/18/83/1027361883.db2.gz XFZUJTMQHUQKKI-LSDHHAIUSA-N 1 2 344.484 3.600 20 0 EHADLO CCn1nncc1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000459292834 1027363479 /nfs/dbraw/zinc/36/34/79/1027363479.db2.gz DPTXWAXGCLQLOS-UHFFFAOYSA-N 1 2 325.243 3.769 20 0 EHADLO CCn1nncc1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000459292834 1027363496 /nfs/dbraw/zinc/36/34/96/1027363496.db2.gz DPTXWAXGCLQLOS-UHFFFAOYSA-N 1 2 325.243 3.769 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000302920701 1027365431 /nfs/dbraw/zinc/36/54/31/1027365431.db2.gz ZLUIIJJWODSCBF-WMZOPIPTSA-N 1 2 340.471 3.618 20 0 EHADLO Cc1cc(C)cc([C@H](C)Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000302920701 1027365450 /nfs/dbraw/zinc/36/54/50/1027365450.db2.gz ZLUIIJJWODSCBF-WMZOPIPTSA-N 1 2 340.471 3.618 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)(F)F)nc1 ZINC000077030347 1027379264 /nfs/dbraw/zinc/37/92/64/1027379264.db2.gz LVPYLZFMWKJZJH-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO C[C@@H]1CCCC[C@H]1OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000501602192 1027384602 /nfs/dbraw/zinc/38/46/02/1027384602.db2.gz HQLUPHKQQZGIFF-FEDDNBLJSA-N 1 2 342.527 3.913 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCCC[C@H]1c1ccco1 ZINC000077572556 1027430667 /nfs/dbraw/zinc/43/06/67/1027430667.db2.gz RAYIIVMIAHDNOM-INIZCTEOSA-N 1 2 330.432 3.583 20 0 EHADLO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ncc(-c2ccccc2)n1C ZINC000453140213 1027447654 /nfs/dbraw/zinc/44/76/54/1027447654.db2.gz IOAGOTAKBPIRQG-KBXCAEBGSA-N 1 2 339.414 3.610 20 0 EHADLO Cc1ccoc1C[NH2+]Cc1cn2cc(Br)cc(C)c2n1 ZINC000273549615 1027489117 /nfs/dbraw/zinc/48/91/17/1027489117.db2.gz COGBYARUIANHME-UHFFFAOYSA-N 1 2 334.217 3.596 20 0 EHADLO Clc1ccc(-c2ccc(C[NH+]3CC(n4ccnn4)C3)s2)cc1 ZINC000501750701 1027508250 /nfs/dbraw/zinc/50/82/50/1027508250.db2.gz WUKOWRYSDBJZRX-UHFFFAOYSA-N 1 2 330.844 3.717 20 0 EHADLO CCCCN(CCCC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119048164 1027569460 /nfs/dbraw/zinc/56/94/60/1027569460.db2.gz WQPSWOHHQYGEDX-UHFFFAOYSA-N 1 2 348.491 3.661 20 0 EHADLO Cc1cc(C)n(-c2ccc(C[N@H+](C)Cc3csc(C)n3)cc2)n1 ZINC000130064079 1027631017 /nfs/dbraw/zinc/63/10/17/1027631017.db2.gz RTYYWDYNYANJPC-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3csc(C)n3)cc2)n1 ZINC000130064079 1027631023 /nfs/dbraw/zinc/63/10/23/1027631023.db2.gz RTYYWDYNYANJPC-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1Cl ZINC000130316846 1027656940 /nfs/dbraw/zinc/65/69/40/1027656940.db2.gz WBZHCYGSLYLSNO-MNOVXSKESA-N 1 2 338.238 3.630 20 0 EHADLO Cc1cc(C)cc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000657626247 1027691249 /nfs/dbraw/zinc/69/12/49/1027691249.db2.gz TZNNFOORZXVEIU-UHFFFAOYSA-N 1 2 337.872 3.650 20 0 EHADLO Nc1cc(CNc2ccc(OCCCc3ccccn3)cc2)cc[nH+]1 ZINC001167616718 1027691967 /nfs/dbraw/zinc/69/19/67/1027691967.db2.gz NNUDJVKDYIXXRU-UHFFFAOYSA-N 1 2 334.423 3.683 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+]([C@H](C)c3nnc(CC)o3)CC2)cc1 ZINC000130922945 1027716040 /nfs/dbraw/zinc/71/60/40/1027716040.db2.gz IQAJBMBMLGQMTK-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)c3nnc(CC)o3)CC2)cc1 ZINC000130922945 1027716056 /nfs/dbraw/zinc/71/60/56/1027716056.db2.gz IQAJBMBMLGQMTK-CQSZACIVSA-N 1 2 327.428 3.881 20 0 EHADLO COc1ccc([C@H](C)CCNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420786353 1027720368 /nfs/dbraw/zinc/72/03/68/1027720368.db2.gz BEZJKLKZRCDYPA-CQSZACIVSA-N 1 2 341.455 3.700 20 0 EHADLO CCC1(O)CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459340292 1027732023 /nfs/dbraw/zinc/73/20/23/1027732023.db2.gz CXEYQAUUJHHPBR-UHFFFAOYSA-N 1 2 332.669 3.839 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000934651090 1027733038 /nfs/dbraw/zinc/73/30/38/1027733038.db2.gz CTKUNFXTRVOVLB-SUMWQHHRSA-N 1 2 339.439 3.954 20 0 EHADLO Cc1cc(CNC(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000420793000 1027751483 /nfs/dbraw/zinc/75/14/83/1027751483.db2.gz JJROBFRGZIHEMI-AWEZNQCLSA-N 1 2 347.846 3.619 20 0 EHADLO Cc1cc(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc(C)[nH+]1 ZINC000420823191 1027757128 /nfs/dbraw/zinc/75/71/28/1027757128.db2.gz KXZXSPFEHZOXCF-ZDUSSCGKSA-N 1 2 331.382 3.865 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cs1 ZINC000131319200 1027768108 /nfs/dbraw/zinc/76/81/08/1027768108.db2.gz UBFMMKLWVOEFON-OAHLLOKOSA-N 1 2 332.517 3.674 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cs1 ZINC000131319200 1027768136 /nfs/dbraw/zinc/76/81/36/1027768136.db2.gz UBFMMKLWVOEFON-OAHLLOKOSA-N 1 2 332.517 3.674 20 0 EHADLO COc1ccc([C@@H](C)N(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420849228 1027792202 /nfs/dbraw/zinc/79/22/02/1027792202.db2.gz NKTXVAWVLOOEQH-OAHLLOKOSA-N 1 2 327.428 3.610 20 0 EHADLO FC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000414478283 1027842978 /nfs/dbraw/zinc/84/29/78/1027842978.db2.gz OMMSCLKOCXIFGF-ZDUSSCGKSA-N 1 2 325.733 3.919 20 0 EHADLO FC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000414478283 1027842997 /nfs/dbraw/zinc/84/29/97/1027842997.db2.gz OMMSCLKOCXIFGF-ZDUSSCGKSA-N 1 2 325.733 3.919 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883027 1027867096 /nfs/dbraw/zinc/86/70/96/1027867096.db2.gz WWNZCOWPESMJOD-WFASDCNBSA-N 1 2 326.425 3.776 20 0 EHADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000359883027 1027867112 /nfs/dbraw/zinc/86/71/12/1027867112.db2.gz WWNZCOWPESMJOD-WFASDCNBSA-N 1 2 326.425 3.776 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922339 1027869479 /nfs/dbraw/zinc/86/94/79/1027869479.db2.gz FJJQUPYVCLDFEL-UKRRQHHQSA-N 1 2 349.475 3.669 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420922339 1027869503 /nfs/dbraw/zinc/86/95/03/1027869503.db2.gz FJJQUPYVCLDFEL-UKRRQHHQSA-N 1 2 349.475 3.669 20 0 EHADLO CCCOc1cccc2c(N3CC[C@@H](C(=O)OC)[C@@H](C)C3)cc[nH+]c12 ZINC000503550652 1027883368 /nfs/dbraw/zinc/88/33/68/1027883368.db2.gz IGUYZYFNPSXQHN-LSDHHAIUSA-N 1 2 342.439 3.659 20 0 EHADLO Cc1ccccc1[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000120048325 1027895134 /nfs/dbraw/zinc/89/51/34/1027895134.db2.gz VRAKWQZEYXZZDG-SFHVURJKSA-N 1 2 328.460 3.620 20 0 EHADLO Cc1cc(CNC(=O)N[C@H](c2ncccc2C)C(C)C)cc(C)[nH+]1 ZINC000420918247 1027900456 /nfs/dbraw/zinc/90/04/56/1027900456.db2.gz PDXSJNLBSQQONW-KRWDZBQOSA-N 1 2 326.444 3.598 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cnc(C3CC3)s2)[nH+]1 ZINC000729649232 1027918254 /nfs/dbraw/zinc/91/82/54/1027918254.db2.gz PHSKMSUVPMYREQ-UHFFFAOYSA-N 1 2 346.452 3.530 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000420957046 1027924598 /nfs/dbraw/zinc/92/45/98/1027924598.db2.gz ZAHJZOMTWOFYEC-SNVBAGLBSA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000420957046 1027924605 /nfs/dbraw/zinc/92/46/05/1027924605.db2.gz ZAHJZOMTWOFYEC-SNVBAGLBSA-N 1 2 331.363 3.963 20 0 EHADLO CC(C)n1cc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)nn1 ZINC000414482970 1027950075 /nfs/dbraw/zinc/95/00/75/1027950075.db2.gz YJVRKNICKAPZHH-UHFFFAOYSA-N 1 2 346.478 3.855 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000114708615 1027972565 /nfs/dbraw/zinc/97/25/65/1027972565.db2.gz SNRBJZPXIZOTRB-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO COc1ccc([C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000114708615 1027972582 /nfs/dbraw/zinc/97/25/82/1027972582.db2.gz SNRBJZPXIZOTRB-ZDUSSCGKSA-N 1 2 330.407 3.788 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548777371 1028026641 /nfs/dbraw/zinc/02/66/41/1028026641.db2.gz LFZKZCOEGFKILB-UHFFFAOYSA-N 1 2 349.438 3.769 20 0 EHADLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000444576013 1028047103 /nfs/dbraw/zinc/04/71/03/1028047103.db2.gz UYFKZXOEFBAOEV-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccccc3F)no2)c1 ZINC000444576013 1028047116 /nfs/dbraw/zinc/04/71/16/1028047116.db2.gz UYFKZXOEFBAOEV-UHFFFAOYSA-N 1 2 327.359 3.516 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2(C)CCCC2)c(C)c1 ZINC000533543185 1028055112 /nfs/dbraw/zinc/05/51/12/1028055112.db2.gz CLXKWFPMOLYFEC-GOSISDBHSA-N 1 2 340.471 3.873 20 0 EHADLO CCC1(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000533543463 1028055688 /nfs/dbraw/zinc/05/56/88/1028055688.db2.gz DDPJFNVVZJCYNQ-SFHVURJKSA-N 1 2 340.471 3.873 20 0 EHADLO [NH3+][C@@H](C(=O)NCC1(c2ccccc2)CCCC1)c1c(F)cccc1F ZINC000422945136 1028082123 /nfs/dbraw/zinc/08/21/23/1028082123.db2.gz MPFFRWHPOJNGIO-GOSISDBHSA-N 1 2 344.405 3.593 20 0 EHADLO [NH3+][C@@H](C(=O)NC1CCC(c2ccccc2)CC1)c1c(F)cccc1F ZINC000423006420 1028118986 /nfs/dbraw/zinc/11/89/86/1028118986.db2.gz OPPQXUKHZZJCQE-JFIBYHEFSA-N 1 2 344.405 3.807 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640572 1028125863 /nfs/dbraw/zinc/12/58/63/1028125863.db2.gz NWJDLBDPDSBQPS-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444640572 1028125870 /nfs/dbraw/zinc/12/58/70/1028125870.db2.gz NWJDLBDPDSBQPS-BEFAXECRSA-N 1 2 336.414 3.990 20 0 EHADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(F)(F)F)nc2C)c[nH+]1 ZINC000455421505 1028152471 /nfs/dbraw/zinc/15/24/71/1028152471.db2.gz MBAZXPIACAXIEA-UHFFFAOYSA-N 1 2 338.333 3.742 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444692752 1028166423 /nfs/dbraw/zinc/16/64/23/1028166423.db2.gz NCCBILZROBEVER-WDEREUQCSA-N 1 2 334.769 3.941 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444692752 1028166433 /nfs/dbraw/zinc/16/64/33/1028166433.db2.gz NCCBILZROBEVER-WDEREUQCSA-N 1 2 334.769 3.941 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333584166 1028169859 /nfs/dbraw/zinc/16/98/59/1028169859.db2.gz KLHNDCJBWGIVQU-XLIONFOSSA-N 1 2 344.503 3.543 20 0 EHADLO CC(C)c1noc(CCCNc2cc(C(C)C)[nH+]c(C(C)C)n2)n1 ZINC000533609496 1028176332 /nfs/dbraw/zinc/17/63/32/1028176332.db2.gz VIEZNPPHOJGUNE-UHFFFAOYSA-N 1 2 331.464 3.696 20 0 EHADLO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1 ZINC000053602230 1028189425 /nfs/dbraw/zinc/18/94/25/1028189425.db2.gz JTFHOWAPTRAIMR-UHFFFAOYSA-N 1 2 337.448 3.541 20 0 EHADLO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1 ZINC000053602230 1028189431 /nfs/dbraw/zinc/18/94/31/1028189431.db2.gz JTFHOWAPTRAIMR-UHFFFAOYSA-N 1 2 337.448 3.541 20 0 EHADLO Cc1cc(C)cc(OCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455461231 1028189865 /nfs/dbraw/zinc/18/98/65/1028189865.db2.gz BIGQKDMAKROAGY-UHFFFAOYSA-N 1 2 327.428 3.824 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711772 1028191848 /nfs/dbraw/zinc/19/18/48/1028191848.db2.gz VJECITJTGCBAGR-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711772 1028191857 /nfs/dbraw/zinc/19/18/57/1028191857.db2.gz VJECITJTGCBAGR-SNVBAGLBSA-N 1 2 340.320 3.702 20 0 EHADLO COc1cc(F)cc(C[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455467376 1028197158 /nfs/dbraw/zinc/19/71/58/1028197158.db2.gz ARABAAUOJFUYLJ-CYBMUJFWSA-N 1 2 345.418 3.907 20 0 EHADLO CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414506623 1028199522 /nfs/dbraw/zinc/19/95/22/1028199522.db2.gz NWSMZTJMAINISP-UHFFFAOYSA-N 1 2 337.872 3.596 20 0 EHADLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)cs1 ZINC000657696579 1028199672 /nfs/dbraw/zinc/19/96/72/1028199672.db2.gz KZNQWLSYWJPWGQ-SCLBCKFNSA-N 1 2 343.496 3.847 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000135555705 1028205598 /nfs/dbraw/zinc/20/55/98/1028205598.db2.gz YPUKJCKXSJAFDP-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000135555705 1028205610 /nfs/dbraw/zinc/20/56/10/1028205610.db2.gz YPUKJCKXSJAFDP-KRWDZBQOSA-N 1 2 340.402 3.724 20 0 EHADLO c1coc(-c2nnc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)o2)c1 ZINC000054338276 1028228304 /nfs/dbraw/zinc/22/83/04/1028228304.db2.gz GUOBBUSIOWUHGI-INIZCTEOSA-N 1 2 339.395 3.511 20 0 EHADLO c1coc(-c2nnc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)o2)c1 ZINC000054338276 1028228320 /nfs/dbraw/zinc/22/83/20/1028228320.db2.gz GUOBBUSIOWUHGI-INIZCTEOSA-N 1 2 339.395 3.511 20 0 EHADLO C[C@H](c1cccc(NC(=O)C2=CC[C@H](C)CC2)c1)[NH+]1CCOCC1 ZINC000455491610 1028261702 /nfs/dbraw/zinc/26/17/02/1028261702.db2.gz YRIJOMIIGIKYIM-JKSUJKDBSA-N 1 2 328.456 3.765 20 0 EHADLO Cc1ccc2c(c1)CN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CCO2 ZINC000455492649 1028265021 /nfs/dbraw/zinc/26/50/21/1028265021.db2.gz BUEVQEFOPBJIQG-UHFFFAOYSA-N 1 2 325.412 3.742 20 0 EHADLO OC[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1C(F)(F)F ZINC000897330223 1028282454 /nfs/dbraw/zinc/28/24/54/1028282454.db2.gz MLPOFRYVRHSABH-LBPRGKRZSA-N 1 2 348.727 3.716 20 0 EHADLO OC[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1C(F)(F)F ZINC000897330301 1028283043 /nfs/dbraw/zinc/28/30/43/1028283043.db2.gz PUZHOFXHVHFWEZ-JTQLQIEISA-N 1 2 336.766 3.639 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)no1 ZINC000056143821 1028311341 /nfs/dbraw/zinc/31/13/41/1028311341.db2.gz CDLXSKKUQJEQPW-VXGBXAGGSA-N 1 2 340.427 3.707 20 0 EHADLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(F)cc1F ZINC000455535808 1028313621 /nfs/dbraw/zinc/31/36/21/1028313621.db2.gz BKVVSESKVDMOSC-KRWDZBQOSA-N 1 2 333.382 3.927 20 0 EHADLO CCCNc1ccc(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000640221590 1028313962 /nfs/dbraw/zinc/31/39/62/1028313962.db2.gz YPTHAFSJBWETBU-GOSISDBHSA-N 1 2 328.460 3.609 20 0 EHADLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000523451470 1028323337 /nfs/dbraw/zinc/32/33/37/1028323337.db2.gz FLUZXNWQRMYZFC-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000523451470 1028323354 /nfs/dbraw/zinc/32/33/54/1028323354.db2.gz FLUZXNWQRMYZFC-VIFPVBQESA-N 1 2 344.267 3.981 20 0 EHADLO CCC[N@H+](Cc1oc(CC)nc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000428380058 1028331981 /nfs/dbraw/zinc/33/19/81/1028331981.db2.gz KSSYXEVTGZBYIL-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1oc(CC)nc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000428380058 1028332000 /nfs/dbraw/zinc/33/20/00/1028332000.db2.gz KSSYXEVTGZBYIL-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N1CCC(C)CC1 ZINC000067133039 1028356337 /nfs/dbraw/zinc/35/63/37/1028356337.db2.gz SFOBUFFXKJYTCF-APWZRJJASA-N 1 2 326.440 3.606 20 0 EHADLO O=C(CCCCCc1cccs1)NCCc1cn2c([nH+]1)CCCC2 ZINC000067135922 1028357019 /nfs/dbraw/zinc/35/70/19/1028357019.db2.gz DMVSHLXNEOPMSN-UHFFFAOYSA-N 1 2 345.512 3.743 20 0 EHADLO Cc1cc(F)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067559136 1028371054 /nfs/dbraw/zinc/37/10/54/1028371054.db2.gz OLGLTPFHTJLKEO-UHFFFAOYSA-N 1 2 342.349 3.781 20 0 EHADLO Brc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCn2ccnc21 ZINC000655762754 1028399440 /nfs/dbraw/zinc/39/94/40/1028399440.db2.gz IMHLTFRQMJMHKW-ZIAGYGMSSA-N 1 2 348.244 3.594 20 0 EHADLO CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)Oc1cccc(F)c1 ZINC001126739538 1028409963 /nfs/dbraw/zinc/40/99/63/1028409963.db2.gz RENNTOWGEYFRLV-MRXNPFEDSA-N 1 2 330.403 3.733 20 0 EHADLO C[C@H](OCCCNC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000069065876 1028418382 /nfs/dbraw/zinc/41/83/82/1028418382.db2.gz VIFFXJPJPMPMCR-IRXDYDNUSA-N 1 2 344.455 3.557 20 0 EHADLO C[C@H](OCCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000069065876 1028418398 /nfs/dbraw/zinc/41/83/98/1028418398.db2.gz VIFFXJPJPMPMCR-IRXDYDNUSA-N 1 2 344.455 3.557 20 0 EHADLO C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000141375664 1028419635 /nfs/dbraw/zinc/41/96/35/1028419635.db2.gz JDDBOKXQYQHRCO-CVEARBPZSA-N 1 2 334.508 3.599 20 0 EHADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000069631234 1028434512 /nfs/dbraw/zinc/43/45/12/1028434512.db2.gz UEOKLXVQWOJPMI-OALUTQOASA-N 1 2 340.471 3.641 20 0 EHADLO O[C@]1(C2CC2)CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000664350771 1028443822 /nfs/dbraw/zinc/44/38/22/1028443822.db2.gz OLRFNTMHRCIGAG-QGZVFWFLSA-N 1 2 347.256 3.739 20 0 EHADLO O=C(c1sccc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000354609783 1028460326 /nfs/dbraw/zinc/46/03/26/1028460326.db2.gz FGNNYBOSKCKRCK-UHFFFAOYSA-N 1 2 337.876 3.931 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000193795741 1028464042 /nfs/dbraw/zinc/46/40/42/1028464042.db2.gz OXVWSPZEGBQRDX-ROJDOSBLSA-N 1 2 329.469 3.888 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000193795741 1028464046 /nfs/dbraw/zinc/46/40/46/1028464046.db2.gz OXVWSPZEGBQRDX-ROJDOSBLSA-N 1 2 329.469 3.888 20 0 EHADLO CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCC1 ZINC000121796513 1028470894 /nfs/dbraw/zinc/47/08/94/1028470894.db2.gz IVVJBMLTIYHXCI-UHFFFAOYSA-N 1 2 330.476 3.546 20 0 EHADLO c1cc(-c2nc(C[N@@H+]3CCCN(c4ccccc4)CC3)no2)cs1 ZINC000194082326 1028487146 /nfs/dbraw/zinc/48/71/46/1028487146.db2.gz ISPVZTNPQUVMDM-UHFFFAOYSA-N 1 2 340.452 3.510 20 0 EHADLO c1cc(-c2nc(C[N@H+]3CCCN(c4ccccc4)CC3)no2)cs1 ZINC000194082326 1028487153 /nfs/dbraw/zinc/48/71/53/1028487153.db2.gz ISPVZTNPQUVMDM-UHFFFAOYSA-N 1 2 340.452 3.510 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC000246435264 1028500461 /nfs/dbraw/zinc/50/04/61/1028500461.db2.gz NCWDTMKYYZYCQN-BYCMXARLSA-N 1 2 347.427 3.504 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC000246435264 1028500474 /nfs/dbraw/zinc/50/04/74/1028500474.db2.gz NCWDTMKYYZYCQN-BYCMXARLSA-N 1 2 347.427 3.504 20 0 EHADLO Cc1nc(-c2ccccc2)c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000583007448 1028510040 /nfs/dbraw/zinc/51/00/40/1028510040.db2.gz IHGUZZAVVKQHHE-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1F ZINC000153666710 1028543478 /nfs/dbraw/zinc/54/34/78/1028543478.db2.gz UVHSCNOVHLLDLN-SJKOYZFVSA-N 1 2 347.409 3.627 20 0 EHADLO CCCOc1cccc2c(N3CC[C@H](OCCOCC)C3)cc[nH+]c12 ZINC000194729691 1028543422 /nfs/dbraw/zinc/54/34/22/1028543422.db2.gz NEVKPFNZWGHEKT-INIZCTEOSA-N 1 2 344.455 3.655 20 0 EHADLO COc1cccc([C@@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000523702386 1028557131 /nfs/dbraw/zinc/55/71/31/1028557131.db2.gz VQLGTFPCFMTXKS-IBGZPJMESA-N 1 2 349.434 3.558 20 0 EHADLO Cc1cc(CNC(=O)COc2ccc(Cl)c(Cl)c2)cc(C)[nH+]1 ZINC000421573435 1028568768 /nfs/dbraw/zinc/56/87/68/1028568768.db2.gz AVEBYCMUPIPKNO-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO CCC[C@@H](C(=O)OCC)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000502702419 1028575218 /nfs/dbraw/zinc/57/52/18/1028575218.db2.gz PPGUAYCQXZBWKR-AWEZNQCLSA-N 1 2 325.474 3.581 20 0 EHADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000502702419 1028575232 /nfs/dbraw/zinc/57/52/32/1028575232.db2.gz PPGUAYCQXZBWKR-AWEZNQCLSA-N 1 2 325.474 3.581 20 0 EHADLO Cc1ccc2[nH]c(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2c1 ZINC000523736509 1028579170 /nfs/dbraw/zinc/57/91/70/1028579170.db2.gz IELLAAORZQRBIH-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO CC1(C)C[C@H](NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c2ccccc21 ZINC000423751992 1028596878 /nfs/dbraw/zinc/59/68/78/1028596878.db2.gz AMOGPVJQSFNATN-DOTOQJQBSA-N 1 2 330.378 3.503 20 0 EHADLO Oc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000445196916 1028610896 /nfs/dbraw/zinc/61/08/96/1028610896.db2.gz NPKANRDHLSNQHE-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000445196916 1028610905 /nfs/dbraw/zinc/61/09/05/1028610905.db2.gz NPKANRDHLSNQHE-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000513753666 1028618046 /nfs/dbraw/zinc/61/80/46/1028618046.db2.gz FDEGADKWPRMSDV-UHFFFAOYSA-N 1 2 344.377 3.654 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000246890361 1028709127 /nfs/dbraw/zinc/70/91/27/1028709127.db2.gz OZOJRTNGZSVDAO-COXVUDFISA-N 1 2 346.862 3.623 20 0 EHADLO C[C@@H](c1ccccn1)N(C)c1cc(N(C)[C@@H](C)c2ccccn2)[nH+]cn1 ZINC000122708723 1028718196 /nfs/dbraw/zinc/71/81/96/1028718196.db2.gz AHSQPLCAGUHVMV-HOTGVXAUSA-N 1 2 348.454 3.661 20 0 EHADLO CCCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OCC ZINC000414549457 1028748470 /nfs/dbraw/zinc/74/84/70/1028748470.db2.gz ANVJSCMAEQPBII-UHFFFAOYSA-N 1 2 347.484 3.893 20 0 EHADLO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502872630 1028763260 /nfs/dbraw/zinc/76/32/60/1028763260.db2.gz YCEGUOLDUQEIAZ-LLVKDONJSA-N 1 2 331.243 3.902 20 0 EHADLO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502872630 1028763269 /nfs/dbraw/zinc/76/32/69/1028763269.db2.gz YCEGUOLDUQEIAZ-LLVKDONJSA-N 1 2 331.243 3.902 20 0 EHADLO CC1(C)CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454338591 1028767473 /nfs/dbraw/zinc/76/74/73/1028767473.db2.gz OCWYEWRQJOMUTG-GOSISDBHSA-N 1 2 340.471 3.557 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245537302 1028781286 /nfs/dbraw/zinc/78/12/86/1028781286.db2.gz IUIGDJOWKAKPRA-XLIONFOSSA-N 1 2 339.483 3.978 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245537302 1028781297 /nfs/dbraw/zinc/78/12/97/1028781297.db2.gz IUIGDJOWKAKPRA-XLIONFOSSA-N 1 2 339.483 3.978 20 0 EHADLO Cc1ccccc1C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000583097795 1028823888 /nfs/dbraw/zinc/82/38/88/1028823888.db2.gz ALZPKJLIGDGZGT-HXUWFJFHSA-N 1 2 337.467 3.660 20 0 EHADLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1cc(F)ccc1F ZINC000524080339 1028840334 /nfs/dbraw/zinc/84/03/34/1028840334.db2.gz KBBXHQYNKWQAEV-UHFFFAOYSA-N 1 2 348.368 3.922 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000248088491 1028846422 /nfs/dbraw/zinc/84/64/22/1028846422.db2.gz FAARTYSADFWJTK-INIZCTEOSA-N 1 2 332.469 3.617 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000248088491 1028846435 /nfs/dbraw/zinc/84/64/35/1028846435.db2.gz FAARTYSADFWJTK-INIZCTEOSA-N 1 2 332.469 3.617 20 0 EHADLO CC(C)n1c[nH+]cc1CN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000424130853 1028847865 /nfs/dbraw/zinc/84/78/65/1028847865.db2.gz IDKLBTLXSROSMV-QGZVFWFLSA-N 1 2 343.862 3.730 20 0 EHADLO CCCCc1oc2ccccc2c1C[NH2+]Cc1nccc(OC)n1 ZINC000424173994 1028849608 /nfs/dbraw/zinc/84/96/08/1028849608.db2.gz QPGMNUHRGQHMKD-UHFFFAOYSA-N 1 2 325.412 3.864 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000424158965 1028860209 /nfs/dbraw/zinc/86/02/09/1028860209.db2.gz UUQNDGVNXSUIEM-INIZCTEOSA-N 1 2 333.407 3.773 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000248198815 1028860436 /nfs/dbraw/zinc/86/04/36/1028860436.db2.gz XXSNSQITXYBDNH-JHJVBQTASA-N 1 2 327.519 3.744 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000248198815 1028860448 /nfs/dbraw/zinc/86/04/48/1028860448.db2.gz XXSNSQITXYBDNH-JHJVBQTASA-N 1 2 327.519 3.744 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573137 1028863131 /nfs/dbraw/zinc/86/31/31/1028863131.db2.gz CTOYFZWKDJOUID-GOEBONIOSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245573137 1028863145 /nfs/dbraw/zinc/86/31/45/1028863145.db2.gz CTOYFZWKDJOUID-GOEBONIOSA-N 1 2 336.794 3.637 20 0 EHADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123309345 1028877234 /nfs/dbraw/zinc/87/72/34/1028877234.db2.gz YXZIOXPUBLUSON-CVEARBPZSA-N 1 2 342.443 3.662 20 0 EHADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000524121200 1028889976 /nfs/dbraw/zinc/88/99/76/1028889976.db2.gz MHIBSBDRWUJTHX-ZWKOTPCHSA-N 1 2 344.499 3.556 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCC3)s1 ZINC000424205296 1028891363 /nfs/dbraw/zinc/89/13/63/1028891363.db2.gz UWQROTXIOVROCI-LBPRGKRZSA-N 1 2 330.453 3.659 20 0 EHADLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1C ZINC000504790052 1028901413 /nfs/dbraw/zinc/90/14/13/1028901413.db2.gz MZYWTGWUQSLTAV-ZHALLVOQSA-N 1 2 337.467 3.648 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475630729 1028914560 /nfs/dbraw/zinc/91/45/60/1028914560.db2.gz ISVWAMGHPIGXHV-CJNGLKHVSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475630729 1028914572 /nfs/dbraw/zinc/91/45/72/1028914572.db2.gz ISVWAMGHPIGXHV-CJNGLKHVSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000076184387 1028920582 /nfs/dbraw/zinc/92/05/82/1028920582.db2.gz HBJSICRESRVKTN-WBVHZDCISA-N 1 2 333.453 3.527 20 0 EHADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000076184387 1028920600 /nfs/dbraw/zinc/92/06/00/1028920600.db2.gz HBJSICRESRVKTN-WBVHZDCISA-N 1 2 333.453 3.527 20 0 EHADLO C[C@H]1CCC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454474001 1028943542 /nfs/dbraw/zinc/94/35/42/1028943542.db2.gz YHFAYNCBGNTQHO-WFASDCNBSA-N 1 2 332.835 3.514 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+]3[C@H](C)CCC[C@H]3CO)cs2)cc1 ZINC000245662961 1028986060 /nfs/dbraw/zinc/98/60/60/1028986060.db2.gz GBMFIUCSNHPMIX-WBVHZDCISA-N 1 2 346.496 3.766 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+]3[C@H](C)CCC[C@H]3CO)cs2)cc1 ZINC000245662961 1028986074 /nfs/dbraw/zinc/98/60/74/1028986074.db2.gz GBMFIUCSNHPMIX-WBVHZDCISA-N 1 2 346.496 3.766 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)n1 ZINC000424304413 1028987939 /nfs/dbraw/zinc/98/79/39/1028987939.db2.gz BKZYITIBZXYZJO-LLVKDONJSA-N 1 2 339.411 3.693 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](c2ncccc2C)C(C)C)c[nH+]1 ZINC000454512369 1028998888 /nfs/dbraw/zinc/99/88/88/1028998888.db2.gz KFFZACBUHFDACB-KRWDZBQOSA-N 1 2 326.444 3.598 20 0 EHADLO Clc1ccc2c(c1)C[N@@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000583152612 1029016834 /nfs/dbraw/zinc/01/68/34/1029016834.db2.gz YQBLYWLPDYUYGD-IBGZPJMESA-N 1 2 328.843 3.561 20 0 EHADLO Clc1ccc2c(c1)C[N@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000583152612 1029016848 /nfs/dbraw/zinc/01/68/48/1029016848.db2.gz YQBLYWLPDYUYGD-IBGZPJMESA-N 1 2 328.843 3.561 20 0 EHADLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)Oc2ccccc2Cl)c[nH+]1 ZINC000454571831 1029047654 /nfs/dbraw/zinc/04/76/54/1029047654.db2.gz UCSGGGZHWGNWAM-CQSZACIVSA-N 1 2 347.846 3.619 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960734 1029128370 /nfs/dbraw/zinc/12/83/70/1029128370.db2.gz AGHINPMEUMURBD-SJORKVTESA-N 1 2 339.863 3.835 20 0 EHADLO CCCO[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960734 1029128377 /nfs/dbraw/zinc/12/83/77/1029128377.db2.gz AGHINPMEUMURBD-SJORKVTESA-N 1 2 339.863 3.835 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000424629906 1029190329 /nfs/dbraw/zinc/19/03/29/1029190329.db2.gz PBRBYSNJKQRIKY-MRXNPFEDSA-N 1 2 325.456 3.693 20 0 EHADLO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)nn2)cc1 ZINC001142078865 1029210685 /nfs/dbraw/zinc/21/06/85/1029210685.db2.gz VZWNXKVMQRLJLX-MRXNPFEDSA-N 1 2 345.830 3.644 20 0 EHADLO COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(Cl)nn2)cc1 ZINC001142078865 1029210701 /nfs/dbraw/zinc/21/07/01/1029210701.db2.gz VZWNXKVMQRLJLX-MRXNPFEDSA-N 1 2 345.830 3.644 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000428464858 1029214841 /nfs/dbraw/zinc/21/48/41/1029214841.db2.gz UXTATTWEASXQCY-IUODEOHRSA-N 1 2 327.877 3.508 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000428464858 1029214853 /nfs/dbraw/zinc/21/48/53/1029214853.db2.gz UXTATTWEASXQCY-IUODEOHRSA-N 1 2 327.877 3.508 20 0 EHADLO CC(C)[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)CC1CC1 ZINC000533037146 1029215611 /nfs/dbraw/zinc/21/56/11/1029215611.db2.gz VHKNYFSMCYQGJU-UHFFFAOYSA-N 1 2 348.447 3.550 20 0 EHADLO CC(C)[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)CC1CC1 ZINC000533037146 1029215632 /nfs/dbraw/zinc/21/56/32/1029215632.db2.gz VHKNYFSMCYQGJU-UHFFFAOYSA-N 1 2 348.447 3.550 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000079854514 1029258342 /nfs/dbraw/zinc/25/83/42/1029258342.db2.gz HKIZDQWBGMHDDG-UHFFFAOYSA-N 1 2 339.399 3.504 20 0 EHADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1c[nH]nc1C1CC1 ZINC000278134249 1029258508 /nfs/dbraw/zinc/25/85/08/1029258508.db2.gz MUATYOZIHJLLNM-UHFFFAOYSA-N 1 2 347.422 3.739 20 0 EHADLO COc1cc(C)[nH+]c(CSCc2cccc(C(=O)N(C)C)c2)c1 ZINC000272006068 1029268803 /nfs/dbraw/zinc/26/88/03/1029268803.db2.gz FEOKHSPHCOXATE-UHFFFAOYSA-N 1 2 330.453 3.534 20 0 EHADLO O=C(NCCC1=CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000533118167 1029350933 /nfs/dbraw/zinc/35/09/33/1029350933.db2.gz RFSCXRYGOBCIFJ-UHFFFAOYSA-N 1 2 334.489 3.751 20 0 EHADLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(Cl)cc2)no1 ZINC001211571110 1029354596 /nfs/dbraw/zinc/35/45/96/1029354596.db2.gz KWTVKIVXODTPLE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(Cl)cc2)no1 ZINC001211571110 1029354613 /nfs/dbraw/zinc/35/46/13/1029354613.db2.gz KWTVKIVXODTPLE-INIZCTEOSA-N 1 2 343.814 3.555 20 0 EHADLO CCc1cccc(C)c1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154915001 1029360985 /nfs/dbraw/zinc/36/09/85/1029360985.db2.gz LKNLHQMIJQVFRR-QGZVFWFLSA-N 1 2 338.455 3.743 20 0 EHADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000424848888 1029385364 /nfs/dbraw/zinc/38/53/64/1029385364.db2.gz IZXAIUVIMJYWTC-HBGGEXNNSA-N 1 2 341.377 3.773 20 0 EHADLO CC1(C)C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1O ZINC000446072118 1029388457 /nfs/dbraw/zinc/38/84/57/1029388457.db2.gz SQNBLMKHPLTRST-QGZVFWFLSA-N 1 2 330.497 3.521 20 0 EHADLO CC1(C)C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1O ZINC000446072118 1029388482 /nfs/dbraw/zinc/38/84/82/1029388482.db2.gz SQNBLMKHPLTRST-QGZVFWFLSA-N 1 2 330.497 3.521 20 0 EHADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428578645 1029418939 /nfs/dbraw/zinc/41/89/39/1029418939.db2.gz HKOCVIXWPIURAD-HZPDHXFCSA-N 1 2 332.492 3.577 20 0 EHADLO C[C@H]1CC[C@H](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000357962635 1029441421 /nfs/dbraw/zinc/44/14/21/1029441421.db2.gz FRKAJSCPXONYLB-IRXDYDNUSA-N 1 2 329.488 3.905 20 0 EHADLO COCC[C@H]([NH2+]Cc1cc(O)ccc1Br)c1ccco1 ZINC000272490511 1029480770 /nfs/dbraw/zinc/48/07/70/1029480770.db2.gz FIYFXNITJTVAMX-AWEZNQCLSA-N 1 2 340.217 3.615 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000272495923 1029483110 /nfs/dbraw/zinc/48/31/10/1029483110.db2.gz CXIOELPXFGJQBV-GJZGRUSLSA-N 1 2 347.484 3.785 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000272495923 1029483120 /nfs/dbraw/zinc/48/31/20/1029483120.db2.gz CXIOELPXFGJQBV-GJZGRUSLSA-N 1 2 347.484 3.785 20 0 EHADLO CC(C)C(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000446212191 1029499730 /nfs/dbraw/zinc/49/97/30/1029499730.db2.gz VAZYJMXUSTWKIL-UHFFFAOYSA-N 1 2 328.460 3.600 20 0 EHADLO Cc1ccsc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272598876 1029526977 /nfs/dbraw/zinc/52/69/77/1029526977.db2.gz GYFAZKXEPWJJSL-HNNXBMFYSA-N 1 2 341.436 3.680 20 0 EHADLO Cc1ccsc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272598876 1029526985 /nfs/dbraw/zinc/52/69/85/1029526985.db2.gz GYFAZKXEPWJJSL-HNNXBMFYSA-N 1 2 341.436 3.680 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)Cc1cccc(O)c1 ZINC000533255552 1029536624 /nfs/dbraw/zinc/53/66/24/1029536624.db2.gz SINZFMHVGKSGTD-UHFFFAOYSA-N 1 2 349.356 3.930 20 0 EHADLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000533255552 1029536635 /nfs/dbraw/zinc/53/66/35/1029536635.db2.gz SINZFMHVGKSGTD-UHFFFAOYSA-N 1 2 349.356 3.930 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1)C(C)C ZINC000434283175 1029541130 /nfs/dbraw/zinc/54/11/30/1029541130.db2.gz OIPHNRLTGNZAEW-UHFFFAOYSA-N 1 2 340.471 3.664 20 0 EHADLO CCN(c1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1)C(C)C ZINC000434283175 1029541139 /nfs/dbraw/zinc/54/11/39/1029541139.db2.gz OIPHNRLTGNZAEW-UHFFFAOYSA-N 1 2 340.471 3.664 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434295286 1029552212 /nfs/dbraw/zinc/55/22/12/1029552212.db2.gz XYGFRRLUQIBNSI-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434295286 1029552223 /nfs/dbraw/zinc/55/22/23/1029552223.db2.gz XYGFRRLUQIBNSI-UHFFFAOYSA-N 1 2 339.370 3.829 20 0 EHADLO C[C@@H]1CCC[C@H](N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000079210965 1029587606 /nfs/dbraw/zinc/58/76/06/1029587606.db2.gz VMUZTNHUDZREBW-APWZRJJASA-N 1 2 340.471 3.652 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000343167451 1029595190 /nfs/dbraw/zinc/59/51/90/1029595190.db2.gz ISEUGYXTLCQINT-LBPRGKRZSA-N 1 2 340.254 3.718 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1cccs1 ZINC000728562136 1029617403 /nfs/dbraw/zinc/61/74/03/1029617403.db2.gz GIZPOBDGDALULZ-ZDUSSCGKSA-N 1 2 334.514 3.994 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1cccs1 ZINC000728562136 1029617411 /nfs/dbraw/zinc/61/74/11/1029617411.db2.gz GIZPOBDGDALULZ-ZDUSSCGKSA-N 1 2 334.514 3.994 20 0 EHADLO CC(C)N(Cc1ccccn1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666824159 1029626748 /nfs/dbraw/zinc/62/67/48/1029626748.db2.gz KFYVZSGBXRLOAB-IBGZPJMESA-N 1 2 348.450 3.764 20 0 EHADLO Fc1cccc(Br)c1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353217695 1029634670 /nfs/dbraw/zinc/63/46/70/1029634670.db2.gz JFCMCQQQWKXEKB-UHFFFAOYSA-N 1 2 334.192 3.754 20 0 EHADLO Cc1cc(-c2ncccc2NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000446431646 1029643062 /nfs/dbraw/zinc/64/30/62/1029643062.db2.gz BPPZJLRARYVAMF-LBPRGKRZSA-N 1 2 341.440 3.525 20 0 EHADLO CN(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000126092364 1029663489 /nfs/dbraw/zinc/66/34/89/1029663489.db2.gz WQWFOTUDDRQVIA-OALUTQOASA-N 1 2 338.430 3.531 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1nc(C2CC2)cs1 ZINC000127820215 1029668491 /nfs/dbraw/zinc/66/84/91/1029668491.db2.gz RSOIKZLVPNGXCF-UHFFFAOYSA-N 1 2 339.424 3.528 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1SCCc2ccccc21 ZINC000079602774 1029677589 /nfs/dbraw/zinc/67/75/89/1029677589.db2.gz NLQMLCLNRWYOOY-GOSISDBHSA-N 1 2 335.432 3.841 20 0 EHADLO CCCc1nc(C)c(C[N@H+](C)Cc2ccc(Br)o2)o1 ZINC000428447746 1029699731 /nfs/dbraw/zinc/69/97/31/1029699731.db2.gz NLOSDMXPWUQCOK-UHFFFAOYSA-N 1 2 327.222 3.923 20 0 EHADLO CCCc1nc(C)c(C[N@@H+](C)Cc2ccc(Br)o2)o1 ZINC000428447746 1029699734 /nfs/dbraw/zinc/69/97/34/1029699734.db2.gz NLOSDMXPWUQCOK-UHFFFAOYSA-N 1 2 327.222 3.923 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000079839798 1029730423 /nfs/dbraw/zinc/73/04/23/1029730423.db2.gz AUDHNOHMNCJZLH-UHFFFAOYSA-N 1 2 344.484 3.783 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1nc(C2CC2)no1 ZINC000126520946 1029740437 /nfs/dbraw/zinc/74/04/37/1029740437.db2.gz ZAHXWLRGOBIOAP-KBPBESRZSA-N 1 2 326.444 3.959 20 0 EHADLO CC(C)[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000268363341 1029743733 /nfs/dbraw/zinc/74/37/33/1029743733.db2.gz TWJKGAJSYQKGSL-NEWSRXKRSA-N 1 2 340.471 3.873 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000271177803 1029787075 /nfs/dbraw/zinc/78/70/75/1029787075.db2.gz KYNJHKSMWCYLIL-UKRRQHHQSA-N 1 2 342.386 3.698 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000271177803 1029787082 /nfs/dbraw/zinc/78/70/82/1029787082.db2.gz KYNJHKSMWCYLIL-UKRRQHHQSA-N 1 2 342.386 3.698 20 0 EHADLO C[C@H](CC(C)(C)C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455632196 1029799810 /nfs/dbraw/zinc/79/98/10/1029799810.db2.gz USBBVSOCZSSUSF-HZPDHXFCSA-N 1 2 346.519 3.933 20 0 EHADLO Fc1ccc([C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)c2ncc[nH]2)cc1 ZINC000446824586 1029810011 /nfs/dbraw/zinc/81/00/11/1029810011.db2.gz UWCDRQPDNNCRRC-LJQANCHMSA-N 1 2 347.397 3.614 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127138798 1029839571 /nfs/dbraw/zinc/83/95/71/1029839571.db2.gz FWLFIFVZCBYPDL-LRDDRELGSA-N 1 2 332.835 3.960 20 0 EHADLO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000150998467 1029851091 /nfs/dbraw/zinc/85/10/91/1029851091.db2.gz CYUCDUSPHICIEK-STEAMIEHSA-N 1 2 340.471 3.846 20 0 EHADLO C[C@@H]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000428687266 1029911061 /nfs/dbraw/zinc/91/10/61/1029911061.db2.gz DGECQILJDNFLHF-HIFRSBDPSA-N 1 2 336.505 3.781 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1scnc1C1CC1 ZINC000089651410 1029958800 /nfs/dbraw/zinc/95/88/00/1029958800.db2.gz DVSBWYNTZBQDOA-UHFFFAOYSA-N 1 2 348.497 3.715 20 0 EHADLO Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000531881997 1029973132 /nfs/dbraw/zinc/97/31/32/1029973132.db2.gz LZVJPUKVDBMVMN-UHFFFAOYSA-N 1 2 338.411 3.752 20 0 EHADLO CCCn1cc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)cn1 ZINC000428470408 1029980680 /nfs/dbraw/zinc/98/06/80/1029980680.db2.gz OOSBJLXJPUKMHI-UHFFFAOYSA-N 1 2 330.432 3.846 20 0 EHADLO CCc1c(C(=O)Nc2cccc3[nH+]ccn32)cnn1-c1ccc(C)cc1 ZINC000525644410 1030032263 /nfs/dbraw/zinc/03/22/63/1030032263.db2.gz JHIBUUBBLPVSAQ-UHFFFAOYSA-N 1 2 345.406 3.643 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)CC2 ZINC000531943290 1030062403 /nfs/dbraw/zinc/06/24/03/1030062403.db2.gz MUFQRHYWODGHGX-VQTJNVASSA-N 1 2 333.435 3.795 20 0 EHADLO FC(F)(F)c1cnc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)nc1 ZINC000453304282 1030071597 /nfs/dbraw/zinc/07/15/97/1030071597.db2.gz OUSMWIAWFFBJPD-CYBMUJFWSA-N 1 2 327.737 3.926 20 0 EHADLO C[C@H](c1ccncc1)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000600625594 1030072448 /nfs/dbraw/zinc/07/24/48/1030072448.db2.gz HLLWHRIXBRUILU-QGZVFWFLSA-N 1 2 329.488 3.647 20 0 EHADLO Cc1cc(N)nc(SCCOc2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000583537266 1030076161 /nfs/dbraw/zinc/07/61/61/1030076161.db2.gz BEOBTRCOEABFJD-UHFFFAOYSA-N 1 2 330.240 3.675 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc(OC(F)F)c1 ZINC000453307029 1030076254 /nfs/dbraw/zinc/07/62/54/1030076254.db2.gz UFBJIZWSMIVHSY-SECBINFHSA-N 1 2 347.287 3.948 20 0 EHADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000453310003 1030082387 /nfs/dbraw/zinc/08/23/87/1030082387.db2.gz QMDXGYYRZZTIKF-HNNXBMFYSA-N 1 2 334.261 3.658 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1SC ZINC000453312039 1030084046 /nfs/dbraw/zinc/08/40/46/1030084046.db2.gz CJIHLCABEHFFJI-SNVBAGLBSA-N 1 2 325.865 3.655 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1cccc(I)c1 ZINC000090207742 1030090281 /nfs/dbraw/zinc/09/02/81/1030090281.db2.gz HXRLXOFJVGTWME-UHFFFAOYSA-N 1 2 341.196 3.681 20 0 EHADLO Cc1nnc([C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)[nH]1 ZINC000583551308 1030098700 /nfs/dbraw/zinc/09/87/00/1030098700.db2.gz XDSSGYNGQKFIFW-LLVKDONJSA-N 1 2 327.457 3.663 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651376 1030109291 /nfs/dbraw/zinc/10/92/91/1030109291.db2.gz BWDLIUULRFKLJU-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000600651376 1030109298 /nfs/dbraw/zinc/10/92/98/1030109298.db2.gz BWDLIUULRFKLJU-RYUDHWBXSA-N 1 2 328.161 3.881 20 0 EHADLO C[C@@H]1C[C@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000531948490 1030117032 /nfs/dbraw/zinc/11/70/32/1030117032.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948490 1030117038 /nfs/dbraw/zinc/11/70/38/1030117038.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948490 1030117046 /nfs/dbraw/zinc/11/70/46/1030117046.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 2 335.923 3.549 20 0 EHADLO C[C@@H](c1ncc(Br)cc1F)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339118 1030123686 /nfs/dbraw/zinc/12/36/86/1030123686.db2.gz BRESHKCBGLEAIF-NHYWBVRUSA-N 1 2 343.240 3.547 20 0 EHADLO C[C@@H](c1ncc(Br)cc1F)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339118 1030123694 /nfs/dbraw/zinc/12/36/94/1030123694.db2.gz BRESHKCBGLEAIF-NHYWBVRUSA-N 1 2 343.240 3.547 20 0 EHADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)N1CCCC1 ZINC000447395073 1030164432 /nfs/dbraw/zinc/16/44/32/1030164432.db2.gz RMPIGUMFQZBASV-UHFFFAOYSA-N 1 2 327.255 3.585 20 0 EHADLO c1ccc(OCc2nnc(C[NH2+][C@@H]3CCCC34CCCC4)[nH]2)cc1 ZINC000550796025 1030183527 /nfs/dbraw/zinc/18/35/27/1030183527.db2.gz QVVRVMGBWAEPFX-MRXNPFEDSA-N 1 2 326.444 3.586 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1C ZINC000361471871 1030184894 /nfs/dbraw/zinc/18/48/94/1030184894.db2.gz VQEBNFMHPLTRRA-INIZCTEOSA-N 1 2 342.414 3.645 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1C ZINC000361471871 1030184907 /nfs/dbraw/zinc/18/49/07/1030184907.db2.gz VQEBNFMHPLTRRA-INIZCTEOSA-N 1 2 342.414 3.645 20 0 EHADLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cc(-n2ccnc2)cs1 ZINC000361630914 1030224116 /nfs/dbraw/zinc/22/41/16/1030224116.db2.gz HHJLJVLWCCTLDP-UHFFFAOYSA-N 1 2 343.843 3.508 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121448696 1030271597 /nfs/dbraw/zinc/27/15/97/1030271597.db2.gz HEEIBMXTXGBHFL-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121448696 1030271612 /nfs/dbraw/zinc/27/16/12/1030271612.db2.gz HEEIBMXTXGBHFL-GFCCVEGCSA-N 1 2 341.282 3.999 20 0 EHADLO C[C@H]1CCN(C(=O)NCCCCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000154116056 1030275897 /nfs/dbraw/zinc/27/58/97/1030275897.db2.gz WHVUGZMNOWQHKU-WMZOPIPTSA-N 1 2 332.492 3.836 20 0 EHADLO CCC1CCC(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000525995309 1030288431 /nfs/dbraw/zinc/28/84/31/1030288431.db2.gz DPBKSIPDOHWJPZ-UYSNPLJNSA-N 1 2 331.504 3.971 20 0 EHADLO CCC1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000525995309 1030288436 /nfs/dbraw/zinc/28/84/36/1030288436.db2.gz DPBKSIPDOHWJPZ-UYSNPLJNSA-N 1 2 331.504 3.971 20 0 EHADLO Cc1ccccc1-n1nccc1C[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000525988258 1030310788 /nfs/dbraw/zinc/31/07/88/1030310788.db2.gz ORVNBJYWJAQXBC-UHFFFAOYSA-N 1 2 343.434 3.722 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Cl)c(F)c2)CCN1 ZINC000092076225 1030373306 /nfs/dbraw/zinc/37/33/06/1030373306.db2.gz LMFDQFNSKDEWOH-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)c(F)c2)CCN1 ZINC000092076225 1030373326 /nfs/dbraw/zinc/37/33/26/1030373326.db2.gz LMFDQFNSKDEWOH-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)nn2)cc1 ZINC000162918129 1030388859 /nfs/dbraw/zinc/38/88/59/1030388859.db2.gz RMXZBHXREXXYJK-QGZVFWFLSA-N 1 2 327.819 3.586 20 0 EHADLO Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)nn2)cc1 ZINC000162918129 1030388875 /nfs/dbraw/zinc/38/88/75/1030388875.db2.gz RMXZBHXREXXYJK-QGZVFWFLSA-N 1 2 327.819 3.586 20 0 EHADLO C[C@H](CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)n1cc[nH+]c1 ZINC000567991471 1030490428 /nfs/dbraw/zinc/49/04/28/1030490428.db2.gz UUIGPNNSGVOZFN-YMTOWFKASA-N 1 2 347.287 3.532 20 0 EHADLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567993498 1030491054 /nfs/dbraw/zinc/49/10/54/1030491054.db2.gz PTRUEZPHQDSTLU-CQSZACIVSA-N 1 2 342.443 3.766 20 0 EHADLO CCCc1nc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)co1 ZINC000561933591 1030496731 /nfs/dbraw/zinc/49/67/31/1030496731.db2.gz MBTNCEAYLHWYKN-HNNXBMFYSA-N 1 2 346.818 3.982 20 0 EHADLO Cc1cnc(C2CC[NH+](Cc3c(C(F)(F)F)cnn3C)CC2)s1 ZINC000668065605 1030499610 /nfs/dbraw/zinc/49/96/10/1030499610.db2.gz NSZFEAKEKGADNH-UHFFFAOYSA-N 1 2 344.406 3.583 20 0 EHADLO c1ccc(Nc2ccc(NCc3cnc(N4CCCC4)nc3)[nH+]c2)cc1 ZINC000657785303 1030514613 /nfs/dbraw/zinc/51/46/13/1030514613.db2.gz FRXMAVWKVIOZEO-UHFFFAOYSA-N 1 2 346.438 3.828 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447830577 1030520783 /nfs/dbraw/zinc/52/07/83/1030520783.db2.gz KWERTFUZNLRYBT-FJZAXULXSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447830577 1030520795 /nfs/dbraw/zinc/52/07/95/1030520795.db2.gz KWERTFUZNLRYBT-FJZAXULXSA-N 1 2 327.827 3.808 20 0 EHADLO Cc1cccnc1C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000093157976 1030565401 /nfs/dbraw/zinc/56/54/01/1030565401.db2.gz JOINRWFAZINEIS-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2cc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000532345596 1030571217 /nfs/dbraw/zinc/57/12/17/1030571217.db2.gz GWEGGXPCANROKM-YJBOKZPZSA-N 1 2 337.423 3.672 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093235129 1030577188 /nfs/dbraw/zinc/57/71/88/1030577188.db2.gz HCKOJYSVTOQWFI-SFHVURJKSA-N 1 2 339.483 3.822 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235129 1030577202 /nfs/dbraw/zinc/57/72/02/1030577202.db2.gz HCKOJYSVTOQWFI-SFHVURJKSA-N 1 2 339.483 3.822 20 0 EHADLO Cc1c(Br)cncc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000668091716 1030591022 /nfs/dbraw/zinc/59/10/22/1030591022.db2.gz NDUAZTLEHCWWRE-GXSJLCMTSA-N 1 2 337.183 3.925 20 0 EHADLO Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000668091716 1030591035 /nfs/dbraw/zinc/59/10/35/1030591035.db2.gz NDUAZTLEHCWWRE-GXSJLCMTSA-N 1 2 337.183 3.925 20 0 EHADLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332983181 1030601439 /nfs/dbraw/zinc/60/14/39/1030601439.db2.gz WKABICPDUUZYBC-UONOGXRCSA-N 1 2 340.418 3.514 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2(C(C)C)CC2)c(C)c1 ZINC000583738014 1030604212 /nfs/dbraw/zinc/60/42/12/1030604212.db2.gz VEKVYPCNQAAUSI-GOSISDBHSA-N 1 2 340.471 3.729 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000527075016 1030627248 /nfs/dbraw/zinc/62/72/48/1030627248.db2.gz UEUCHYXDBZSWTP-JKSUJKDBSA-N 1 2 326.843 3.700 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000527075016 1030627256 /nfs/dbraw/zinc/62/72/56/1030627256.db2.gz UEUCHYXDBZSWTP-JKSUJKDBSA-N 1 2 326.843 3.700 20 0 EHADLO CCn1nc(C)c(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)c1C ZINC000093660422 1030647754 /nfs/dbraw/zinc/64/77/54/1030647754.db2.gz NDDGKJPVQFZSCP-UHFFFAOYSA-N 1 2 342.487 3.597 20 0 EHADLO CCn1nc(C)c(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)c1C ZINC000093660422 1030647763 /nfs/dbraw/zinc/64/77/63/1030647763.db2.gz NDDGKJPVQFZSCP-UHFFFAOYSA-N 1 2 342.487 3.597 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)NCCCNc1cccc[nH+]1 ZINC000194153659 1030656511 /nfs/dbraw/zinc/65/65/11/1030656511.db2.gz TZQUTPMUNNKZPP-UHFFFAOYSA-N 1 2 338.238 3.549 20 0 EHADLO O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000169950730 1030682195 /nfs/dbraw/zinc/68/21/95/1030682195.db2.gz JYFNZQJJYKTISV-UHFFFAOYSA-N 1 2 337.810 3.945 20 0 EHADLO CCCn1c2ccccc2nc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000093863908 1030683993 /nfs/dbraw/zinc/68/39/93/1030683993.db2.gz ZUYBYYZIJLEWLU-KRWDZBQOSA-N 1 2 337.471 3.689 20 0 EHADLO CCCn1c2ccccc2nc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000093863908 1030684001 /nfs/dbraw/zinc/68/40/01/1030684001.db2.gz ZUYBYYZIJLEWLU-KRWDZBQOSA-N 1 2 337.471 3.689 20 0 EHADLO COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000360034088 1030716368 /nfs/dbraw/zinc/71/63/68/1030716368.db2.gz AQJZJAKTPHTYTR-MRXNPFEDSA-N 1 2 340.379 3.935 20 0 EHADLO COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000360034088 1030716381 /nfs/dbraw/zinc/71/63/81/1030716381.db2.gz AQJZJAKTPHTYTR-MRXNPFEDSA-N 1 2 340.379 3.935 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000527242854 1030732535 /nfs/dbraw/zinc/73/25/35/1030732535.db2.gz ABWMWGLZWYYWHO-ZFWWWQNUSA-N 1 2 341.455 3.984 20 0 EHADLO CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000527242854 1030732551 /nfs/dbraw/zinc/73/25/51/1030732551.db2.gz ABWMWGLZWYYWHO-ZFWWWQNUSA-N 1 2 341.455 3.984 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1C)C2 ZINC000527245127 1030734253 /nfs/dbraw/zinc/73/42/53/1030734253.db2.gz IUFSUANDCUWALD-OHNRDTAOSA-N 1 2 337.467 3.688 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000527245127 1030734269 /nfs/dbraw/zinc/73/42/69/1030734269.db2.gz IUFSUANDCUWALD-OHNRDTAOSA-N 1 2 337.467 3.688 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)c1 ZINC000170957887 1030738583 /nfs/dbraw/zinc/73/85/83/1030738583.db2.gz KNUKOAYXIZQBNW-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)c1 ZINC000170957887 1030738591 /nfs/dbraw/zinc/73/85/91/1030738591.db2.gz KNUKOAYXIZQBNW-QGZVFWFLSA-N 1 2 329.444 3.818 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000170989613 1030740711 /nfs/dbraw/zinc/74/07/11/1030740711.db2.gz CDYCKBBWYOWCKC-KBPBESRZSA-N 1 2 340.414 3.573 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000170989613 1030740724 /nfs/dbraw/zinc/74/07/24/1030740724.db2.gz CDYCKBBWYOWCKC-KBPBESRZSA-N 1 2 340.414 3.573 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000130400763 1030742396 /nfs/dbraw/zinc/74/23/96/1030742396.db2.gz LVNMIRAMOJIERF-LBPRGKRZSA-N 1 2 336.407 3.545 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C)c1nccn1C ZINC000657794558 1030761916 /nfs/dbraw/zinc/76/19/16/1030761916.db2.gz TUGVRWQHRUVMJA-HNNXBMFYSA-N 1 2 337.471 3.754 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000668150635 1030788994 /nfs/dbraw/zinc/78/89/94/1030788994.db2.gz BNRIXLNGEMIJDU-RDTXWAMCSA-N 1 2 345.443 3.519 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000668150635 1030789007 /nfs/dbraw/zinc/78/90/07/1030789007.db2.gz BNRIXLNGEMIJDU-RDTXWAMCSA-N 1 2 345.443 3.519 20 0 EHADLO CN(c1cc[nH+]c2c(Br)ccc(F)c12)C1CCOCC1 ZINC000580398006 1030801263 /nfs/dbraw/zinc/80/12/63/1030801263.db2.gz HJFYRSJJNWUXSA-UHFFFAOYSA-N 1 2 339.208 3.752 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476697947 1030811322 /nfs/dbraw/zinc/81/13/22/1030811322.db2.gz NVAGBCKWKYGSTI-CYBMUJFWSA-N 1 2 335.398 3.804 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC3CC3)c2C1 ZINC000171999101 1030860189 /nfs/dbraw/zinc/86/01/89/1030860189.db2.gz LZAJGXYVCUDACP-CQSZACIVSA-N 1 2 337.467 3.531 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC3CC3)c2C1 ZINC000171999101 1030860220 /nfs/dbraw/zinc/86/02/20/1030860220.db2.gz LZAJGXYVCUDACP-CQSZACIVSA-N 1 2 337.467 3.531 20 0 EHADLO C[N@H+](Cc1nsc2ccccc21)Cc1ccc2c(c1)OCCO2 ZINC000659832048 1030875130 /nfs/dbraw/zinc/87/51/30/1030875130.db2.gz MZVSMNMYMFTHQC-UHFFFAOYSA-N 1 2 326.421 3.700 20 0 EHADLO C[N@@H+](Cc1nsc2ccccc21)Cc1ccc2c(c1)OCCO2 ZINC000659832048 1030875146 /nfs/dbraw/zinc/87/51/46/1030875146.db2.gz MZVSMNMYMFTHQC-UHFFFAOYSA-N 1 2 326.421 3.700 20 0 EHADLO CCN(CC)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000097090931 1030894759 /nfs/dbraw/zinc/89/47/59/1030894759.db2.gz KWNYRFQEZFNAED-UHFFFAOYSA-N 1 2 334.423 3.971 20 0 EHADLO Cc1cc(C)c(NC(=O)CCc2nc(-c3ccsc3)no2)c(C)[nH+]1 ZINC000097213915 1030904981 /nfs/dbraw/zinc/90/49/81/1030904981.db2.gz YRMFPRFOJOTHED-UHFFFAOYSA-N 1 2 342.424 3.690 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000190727681 1030925773 /nfs/dbraw/zinc/92/57/73/1030925773.db2.gz XMAXNABJYGNQJG-CYBMUJFWSA-N 1 2 347.484 3.785 20 0 EHADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000190727681 1030925783 /nfs/dbraw/zinc/92/57/83/1030925783.db2.gz XMAXNABJYGNQJG-CYBMUJFWSA-N 1 2 347.484 3.785 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)NCCCNc2cccc[nH+]2)c1C ZINC000115800581 1030936913 /nfs/dbraw/zinc/93/69/13/1030936913.db2.gz UDZYUWICXURPRZ-MRXNPFEDSA-N 1 2 326.444 3.561 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3ccccc3n1)C2 ZINC000527523786 1030968059 /nfs/dbraw/zinc/96/80/59/1030968059.db2.gz FENKQNISRWZJHY-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3ccccc3n1)CC2 ZINC000527523786 1030968072 /nfs/dbraw/zinc/96/80/72/1030968072.db2.gz FENKQNISRWZJHY-AWEZNQCLSA-N 1 2 334.423 3.825 20 0 EHADLO COC(=O)C(C)(C)CC[N@@H+]1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000527526408 1030968099 /nfs/dbraw/zinc/96/80/99/1030968099.db2.gz GYUWJHOREJQFML-AWEZNQCLSA-N 1 2 337.464 3.699 20 0 EHADLO COC(=O)C(C)(C)CC[N@H+]1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000527526408 1030968112 /nfs/dbraw/zinc/96/81/12/1030968112.db2.gz GYUWJHOREJQFML-AWEZNQCLSA-N 1 2 337.464 3.699 20 0 EHADLO O=C(NCCc1cc2ccccc2o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172555831 1030970558 /nfs/dbraw/zinc/97/05/58/1030970558.db2.gz VJAZIJFUPYLOEW-UHFFFAOYSA-N 1 2 331.375 3.591 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccn1 ZINC000527538067 1030994188 /nfs/dbraw/zinc/99/41/88/1030994188.db2.gz HHXQEVKBTPDVQG-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccn1 ZINC000527538067 1030994200 /nfs/dbraw/zinc/99/42/00/1030994200.db2.gz HHXQEVKBTPDVQG-QGZVFWFLSA-N 1 2 334.366 3.565 20 0 EHADLO Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583875161 1031003899 /nfs/dbraw/zinc/00/38/99/1031003899.db2.gz ZHGMSRTWXWGMTA-HNNXBMFYSA-N 1 2 341.455 3.708 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116171750 1031018476 /nfs/dbraw/zinc/01/84/76/1031018476.db2.gz IEVZUKMYODLDDP-CHWSQXEVSA-N 1 2 339.345 3.893 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483197437 1031024137 /nfs/dbraw/zinc/02/41/37/1031024137.db2.gz KQITXOBWXLLXKE-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000483197437 1031024155 /nfs/dbraw/zinc/02/41/55/1031024155.db2.gz KQITXOBWXLLXKE-BFQNTYOBSA-N 1 2 330.255 3.934 20 0 EHADLO CC(C)(C)c1ncc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000172932951 1031034410 /nfs/dbraw/zinc/03/44/10/1031034410.db2.gz NDDVAJMRMLQCAS-SNAWJCMRSA-N 1 2 344.484 3.514 20 0 EHADLO Cc1nc(NCCc2csc(-c3ccc(Cl)cc3)n2)cc[nH+]1 ZINC000536154152 1031040239 /nfs/dbraw/zinc/04/02/39/1031040239.db2.gz DCJOXHHZQQOSEZ-UHFFFAOYSA-N 1 2 330.844 3.638 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000527620540 1031042909 /nfs/dbraw/zinc/04/29/09/1031042909.db2.gz VFOFEYVQPZBDDU-UHFFFAOYSA-N 1 2 333.382 3.760 20 0 EHADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000527620540 1031042928 /nfs/dbraw/zinc/04/29/28/1031042928.db2.gz VFOFEYVQPZBDDU-UHFFFAOYSA-N 1 2 333.382 3.760 20 0 EHADLO CCOc1ncccc1C[NH2+]Cc1ccsc1Br ZINC000527636672 1031064394 /nfs/dbraw/zinc/06/43/94/1031064394.db2.gz QACWNFBBHUDMBX-UHFFFAOYSA-N 1 2 327.247 3.594 20 0 EHADLO Cc1cc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc[nH+]1 ZINC000173361188 1031081937 /nfs/dbraw/zinc/08/19/37/1031081937.db2.gz MCUUIGHEIPZVTQ-UHFFFAOYSA-N 1 2 344.321 3.634 20 0 EHADLO NC(=O)c1cccc(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000116326453 1031102958 /nfs/dbraw/zinc/10/29/58/1031102958.db2.gz XYLGZGAAUOIXFF-QGZVFWFLSA-N 1 2 346.883 3.729 20 0 EHADLO NC(=O)c1cccc(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000116326453 1031102965 /nfs/dbraw/zinc/10/29/65/1031102965.db2.gz XYLGZGAAUOIXFF-QGZVFWFLSA-N 1 2 346.883 3.729 20 0 EHADLO Cc1ccccc1C[C@H](C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000527695919 1031130006 /nfs/dbraw/zinc/13/00/06/1031130006.db2.gz GKUFOCGBZSCXBR-KRWDZBQOSA-N 1 2 342.508 3.580 20 0 EHADLO CC(C)c1n[nH]cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278503170 1031147180 /nfs/dbraw/zinc/14/71/80/1031147180.db2.gz QSKRBVARPPNJCN-UHFFFAOYSA-N 1 2 349.438 3.985 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](Cc3c(C)nc4ccccn43)CCO2)cc1 ZINC000483431323 1031148823 /nfs/dbraw/zinc/14/88/23/1031148823.db2.gz BBXUPXHIRMPTOF-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](Cc3c(C)nc4ccccn43)CCO2)cc1 ZINC000483431323 1031148835 /nfs/dbraw/zinc/14/88/35/1031148835.db2.gz BBXUPXHIRMPTOF-FQEVSTJZSA-N 1 2 335.451 3.779 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)CCO2)cc1 ZINC000483434538 1031170162 /nfs/dbraw/zinc/17/01/62/1031170162.db2.gz WQZGDHHQJNWQFZ-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)CCO2)cc1 ZINC000483434538 1031170172 /nfs/dbraw/zinc/17/01/72/1031170172.db2.gz WQZGDHHQJNWQFZ-OAQYLSRUSA-N 1 2 341.451 3.840 20 0 EHADLO Cc1cccn2cc(CCNC(=O)[C@]3(c4ccccc4)CC3(C)C)[nH+]c12 ZINC000611794845 1031181220 /nfs/dbraw/zinc/18/12/20/1031181220.db2.gz KQSHXUMCKSUYFH-JOCHJYFZSA-N 1 2 347.462 3.669 20 0 EHADLO Cc1nn(C(C)C)cc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000343512697 1031202691 /nfs/dbraw/zinc/20/26/91/1031202691.db2.gz NBLVAYPULNDQGV-YFHOEESVSA-N 1 2 338.499 3.603 20 0 EHADLO CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000174395053 1031212057 /nfs/dbraw/zinc/21/20/57/1031212057.db2.gz DEXTWVONSZKEEP-DOTOQJQBSA-N 1 2 329.469 3.619 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2cscc2s1 ZINC000527779873 1031216560 /nfs/dbraw/zinc/21/65/60/1031216560.db2.gz OMRGWPGEPAINSD-UHFFFAOYSA-N 1 2 343.477 3.888 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440134 1031218199 /nfs/dbraw/zinc/21/81/99/1031218199.db2.gz AORUXZURBJCCAJ-BNOWGMLFSA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000174440134 1031218213 /nfs/dbraw/zinc/21/82/13/1031218213.db2.gz AORUXZURBJCCAJ-BNOWGMLFSA-N 1 2 344.377 3.524 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2s1 ZINC000448544206 1031233138 /nfs/dbraw/zinc/23/31/38/1031233138.db2.gz WJKUGRCICNUJGL-UHFFFAOYSA-N 1 2 341.440 3.549 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)nn1 ZINC000527772917 1031234895 /nfs/dbraw/zinc/23/48/95/1031234895.db2.gz QETIXCITBUYJPU-FQEVSTJZSA-N 1 2 333.439 3.602 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)c(F)c3)n2)c1 ZINC000174658158 1031241349 /nfs/dbraw/zinc/24/13/49/1031241349.db2.gz DCYJFCUKZFULID-NSHDSACASA-N 1 2 345.349 3.874 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)c2ncnc3cc(F)c(F)cc32)c1C ZINC000174707485 1031247911 /nfs/dbraw/zinc/24/79/11/1031247911.db2.gz GQBGTUDJLUQCMW-UHFFFAOYSA-N 1 2 344.365 3.565 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132284937 1031285019 /nfs/dbraw/zinc/28/50/19/1031285019.db2.gz JLBPVMWNQUIZRG-IRXDYDNUSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1cccc2ccccc21 ZINC000132284937 1031285027 /nfs/dbraw/zinc/28/50/27/1031285027.db2.gz JLBPVMWNQUIZRG-IRXDYDNUSA-N 1 2 347.462 3.933 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2ncccc2F)c(Br)c1 ZINC000527827555 1031294805 /nfs/dbraw/zinc/29/48/05/1031294805.db2.gz FQXCVOFMVYIPET-JTQLQIEISA-N 1 2 339.208 3.843 20 0 EHADLO C[C@@]1([NH2+]Cc2nc(CC(F)(F)F)no2)CCCc2ccccc21 ZINC000483751736 1031316641 /nfs/dbraw/zinc/31/66/41/1031316641.db2.gz CNYAZYWUPCQDNU-OAHLLOKOSA-N 1 2 325.334 3.516 20 0 EHADLO C[C@@H]1C[N@H+](CCSc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000551423738 1031316911 /nfs/dbraw/zinc/31/69/11/1031316911.db2.gz KHGRBVBZZLXLPP-GFCCVEGCSA-N 1 2 338.860 3.808 20 0 EHADLO C[C@@H]1C[N@@H+](CCSc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000551423738 1031316930 /nfs/dbraw/zinc/31/69/30/1031316930.db2.gz KHGRBVBZZLXLPP-GFCCVEGCSA-N 1 2 338.860 3.808 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000343544170 1031328962 /nfs/dbraw/zinc/32/89/62/1031328962.db2.gz NWHFJKTUWSYDHI-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000343544170 1031328972 /nfs/dbraw/zinc/32/89/72/1031328972.db2.gz NWHFJKTUWSYDHI-OAHLLOKOSA-N 1 2 329.271 3.826 20 0 EHADLO CCc1cnc(C[N@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)s1 ZINC000175517370 1031344448 /nfs/dbraw/zinc/34/44/48/1031344448.db2.gz YFFQXJFZSOOKMB-UHFFFAOYSA-N 1 2 344.436 3.870 20 0 EHADLO CCc1cnc(C[N@@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)s1 ZINC000175517370 1031344465 /nfs/dbraw/zinc/34/44/65/1031344465.db2.gz YFFQXJFZSOOKMB-UHFFFAOYSA-N 1 2 344.436 3.870 20 0 EHADLO O=C(CC1(c2ccccc2)CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000527882879 1031371508 /nfs/dbraw/zinc/37/15/08/1031371508.db2.gz PCPJMNGGOFFCHW-UHFFFAOYSA-N 1 2 345.446 3.670 20 0 EHADLO Cc1ncc(CN2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)s1 ZINC000343561912 1031393509 /nfs/dbraw/zinc/39/35/09/1031393509.db2.gz XKAMAHPTJKGAKQ-SFHVURJKSA-N 1 2 347.915 3.910 20 0 EHADLO Cc1ncc(C[NH+]2CCN([C@H]3CCc4ccc(Cl)cc43)CC2)s1 ZINC000343561912 1031393521 /nfs/dbraw/zinc/39/35/21/1031393521.db2.gz XKAMAHPTJKGAKQ-SFHVURJKSA-N 1 2 347.915 3.910 20 0 EHADLO CCOc1cccnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000176218866 1031395688 /nfs/dbraw/zinc/39/56/88/1031395688.db2.gz BSCBOUHWLALTHD-UHFFFAOYSA-N 1 2 342.786 3.572 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c(C)[nH]1 ZINC000116882614 1031400083 /nfs/dbraw/zinc/40/00/83/1031400083.db2.gz HONYJAWBHRZXBC-UHFFFAOYSA-N 1 2 326.440 3.666 20 0 EHADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000301750222 1031403111 /nfs/dbraw/zinc/40/31/11/1031403111.db2.gz QUCJDKPDSZLCSP-UHFFFAOYSA-N 1 2 340.442 3.907 20 0 EHADLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000484003814 1031419877 /nfs/dbraw/zinc/41/98/77/1031419877.db2.gz JQZASWUVTJXWLU-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000484003814 1031419884 /nfs/dbraw/zinc/41/98/84/1031419884.db2.gz JQZASWUVTJXWLU-UHFFFAOYSA-N 1 2 346.377 3.593 20 0 EHADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCNc1cccc[nH+]1 ZINC000176428571 1031436557 /nfs/dbraw/zinc/43/65/57/1031436557.db2.gz SUMIOFBDTSAMLC-OAHLLOKOSA-N 1 2 347.846 3.511 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000132908695 1031450791 /nfs/dbraw/zinc/45/07/91/1031450791.db2.gz RJYYFPMHLYKPIO-UHFFFAOYSA-N 1 2 346.858 3.736 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000132908695 1031450815 /nfs/dbraw/zinc/45/08/15/1031450815.db2.gz RJYYFPMHLYKPIO-UHFFFAOYSA-N 1 2 346.858 3.736 20 0 EHADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2cccnc2)cc1 ZINC000176739608 1031453748 /nfs/dbraw/zinc/45/37/48/1031453748.db2.gz JQCDPTOULGYPGA-ZDUSSCGKSA-N 1 2 330.395 3.598 20 0 EHADLO CCn1ncc(C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)n1 ZINC000527921630 1031457701 /nfs/dbraw/zinc/45/77/01/1031457701.db2.gz OUEAJOZZNHEKIG-INIZCTEOSA-N 1 2 336.439 3.728 20 0 EHADLO Cc1cc(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)n(C)n1 ZINC000551588675 1031473465 /nfs/dbraw/zinc/47/34/65/1031473465.db2.gz XWJVMJRPYPFVIM-UHFFFAOYSA-N 1 2 332.860 3.795 20 0 EHADLO O[C@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)Cc1ccccc1 ZINC000551590779 1031476797 /nfs/dbraw/zinc/47/67/97/1031476797.db2.gz MDYLITXQUSPTKN-FQEVSTJZSA-N 1 2 348.446 3.869 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177034012 1031477147 /nfs/dbraw/zinc/47/71/47/1031477147.db2.gz USUXLKAEENHOGV-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177034012 1031477161 /nfs/dbraw/zinc/47/71/61/1031477161.db2.gz USUXLKAEENHOGV-CYBMUJFWSA-N 1 2 328.366 3.739 20 0 EHADLO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cscn1 ZINC000176817065 1031490028 /nfs/dbraw/zinc/49/00/28/1031490028.db2.gz LOWNMWQRFRLLRY-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cscn1 ZINC000176817065 1031490033 /nfs/dbraw/zinc/49/00/33/1031490033.db2.gz LOWNMWQRFRLLRY-UHFFFAOYSA-N 1 2 343.374 3.623 20 0 EHADLO CCCCc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000347415258 1031498233 /nfs/dbraw/zinc/49/82/33/1031498233.db2.gz ASUXLQBWTCEVBQ-IBGZPJMESA-N 1 2 339.483 3.711 20 0 EHADLO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347429913 1031517358 /nfs/dbraw/zinc/51/73/58/1031517358.db2.gz LVJRHQLFVAGRSU-IAGOWNOFSA-N 1 2 325.456 3.628 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000151530468 1031539760 /nfs/dbraw/zinc/53/97/60/1031539760.db2.gz GMIXNOSMOYJFCM-UHFFFAOYSA-N 1 2 341.455 3.600 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2Cc3ccccc3C[C@@H]2C)o1 ZINC000177545444 1031551424 /nfs/dbraw/zinc/55/14/24/1031551424.db2.gz KQNPDSMODNMQIR-INIZCTEOSA-N 1 2 333.435 3.916 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)o1 ZINC000177545444 1031551429 /nfs/dbraw/zinc/55/14/29/1031551429.db2.gz KQNPDSMODNMQIR-INIZCTEOSA-N 1 2 333.435 3.916 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+]([C@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365543 1031556307 /nfs/dbraw/zinc/55/63/07/1031556307.db2.gz YGGKFMGJRQGDBX-AUUYWEPGSA-N 1 2 343.423 3.763 20 0 EHADLO CCc1ccc([C@H]2C[N@H+]([C@H](C)c3ccc(C(=O)OC)o3)CCO2)cc1 ZINC000484365543 1031556320 /nfs/dbraw/zinc/55/63/20/1031556320.db2.gz YGGKFMGJRQGDBX-AUUYWEPGSA-N 1 2 343.423 3.763 20 0 EHADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cc2ccccc2o1 ZINC000177955976 1031599845 /nfs/dbraw/zinc/59/98/45/1031599845.db2.gz LCCWKYKKKZQBEF-CYBMUJFWSA-N 1 2 334.379 3.641 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CC1Cc2ccccc2C1 ZINC000564533252 1031619419 /nfs/dbraw/zinc/61/94/19/1031619419.db2.gz OUPSRDHARWDIDP-HNNXBMFYSA-N 1 2 336.483 3.727 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CC1Cc2ccccc2C1 ZINC000564533252 1031619422 /nfs/dbraw/zinc/61/94/22/1031619422.db2.gz OUPSRDHARWDIDP-HNNXBMFYSA-N 1 2 336.483 3.727 20 0 EHADLO OC[C@@]1(Cc2ccc(F)cc2)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528021770 1031639445 /nfs/dbraw/zinc/63/94/45/1031639445.db2.gz GYQACEWDBQSAKE-OAQYLSRUSA-N 1 2 336.410 3.805 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2cc3cc(C(C)(C)C)ccc3[nH]2)n1 ZINC000904034279 1031642024 /nfs/dbraw/zinc/64/20/24/1031642024.db2.gz ZRDBUMKLKXWCSO-UHFFFAOYSA-N 1 2 335.411 3.840 20 0 EHADLO Cc1cc(C)c(C(=O)NC2CCN(c3[nH+]ccc4ccccc43)CC2)o1 ZINC000528056676 1031669035 /nfs/dbraw/zinc/66/90/35/1031669035.db2.gz AHYBYNBSOZHFNY-UHFFFAOYSA-N 1 2 349.434 3.843 20 0 EHADLO COc1cc(C)ccc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000484495320 1031669827 /nfs/dbraw/zinc/66/98/27/1031669827.db2.gz AWTBPXYBRRHHKC-OAHLLOKOSA-N 1 2 336.439 3.744 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccccc21 ZINC000278618156 1031674008 /nfs/dbraw/zinc/67/40/08/1031674008.db2.gz JVMUZAJZEKWWDP-GJZGRUSLSA-N 1 2 336.439 3.791 20 0 EHADLO C[C@@H]1CCN(c2nccc(Oc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000278621890 1031679996 /nfs/dbraw/zinc/67/99/96/1031679996.db2.gz GMKCORBIQJOPOL-WBVHZDCISA-N 1 2 335.411 3.553 20 0 EHADLO COc1cccc(Cc2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923820796 1031683568 /nfs/dbraw/zinc/68/35/68/1031683568.db2.gz KKBUAMVIFRRROX-MRXNPFEDSA-N 1 2 326.400 3.501 20 0 EHADLO c1ccc(OC[C@H]2C[N@H+](CCSc3ccccc3)CCO2)cc1 ZINC000484540972 1031702538 /nfs/dbraw/zinc/70/25/38/1031702538.db2.gz FKAPIXWTQGRMLO-GOSISDBHSA-N 1 2 329.465 3.559 20 0 EHADLO c1ccc(OC[C@H]2C[N@@H+](CCSc3ccccc3)CCO2)cc1 ZINC000484540972 1031702547 /nfs/dbraw/zinc/70/25/47/1031702547.db2.gz FKAPIXWTQGRMLO-GOSISDBHSA-N 1 2 329.465 3.559 20 0 EHADLO CC(=O)c1ccnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000685267459 1031734339 /nfs/dbraw/zinc/73/43/39/1031734339.db2.gz LNAWXUZQRSWKGH-UHFFFAOYSA-N 1 2 345.393 3.639 20 0 EHADLO CCSc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343643621 1031749628 /nfs/dbraw/zinc/74/96/28/1031749628.db2.gz QUTZTAHPZWOPTD-UHFFFAOYSA-N 1 2 337.448 3.914 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000117585879 1031758760 /nfs/dbraw/zinc/75/87/60/1031758760.db2.gz MVDBQRGKUDOHCP-UHFFFAOYSA-N 1 2 345.402 3.507 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000117597536 1031762039 /nfs/dbraw/zinc/76/20/39/1031762039.db2.gz HTOSINHJPDWAJZ-UHFFFAOYSA-N 1 2 335.382 3.816 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1CC(F)(F)F ZINC000085820503 1031770417 /nfs/dbraw/zinc/77/04/17/1031770417.db2.gz CGUBVBLFQSVWJI-AAEUAGOBSA-N 1 2 348.434 3.676 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(C)n1CC(F)(F)F ZINC000085820503 1031770427 /nfs/dbraw/zinc/77/04/27/1031770427.db2.gz CGUBVBLFQSVWJI-AAEUAGOBSA-N 1 2 348.434 3.676 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117673294 1031791057 /nfs/dbraw/zinc/79/10/57/1031791057.db2.gz RHPJTVLONIPZPT-VQIMIIECSA-N 1 2 331.419 3.891 20 0 EHADLO Cc1cc(NC(=O)c2c(C)cc(Br)cc2Cl)cc[nH+]1 ZINC000477690797 1031794924 /nfs/dbraw/zinc/79/49/24/1031794924.db2.gz YGURIVSXAYNRIP-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO COc1ccccc1CC(C)(C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635502383 1031808722 /nfs/dbraw/zinc/80/87/22/1031808722.db2.gz DLLLPDOCNIAXAU-QGZVFWFLSA-N 1 2 343.471 3.616 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc(C)c(C)s1 ZINC000477758178 1031836482 /nfs/dbraw/zinc/83/64/82/1031836482.db2.gz AWCBGVFXYUQWIW-HZPDHXFCSA-N 1 2 336.501 3.704 20 0 EHADLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc(C)c(C)s1 ZINC000477758178 1031836502 /nfs/dbraw/zinc/83/65/02/1031836502.db2.gz AWCBGVFXYUQWIW-HZPDHXFCSA-N 1 2 336.501 3.704 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)c1 ZINC000448905794 1031866144 /nfs/dbraw/zinc/86/61/44/1031866144.db2.gz CRACIFIUKPIBKA-DYESRHJHSA-N 1 2 342.483 3.647 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC000904262270 1031891846 /nfs/dbraw/zinc/89/18/46/1031891846.db2.gz BXYAVKCYWICJON-BJOHPYRUSA-N 1 2 342.424 3.501 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)CCc2ccc(F)cc2)n1 ZINC000904264877 1031893293 /nfs/dbraw/zinc/89/32/93/1031893293.db2.gz BMHKLOUFVORONC-NSHDSACASA-N 1 2 326.375 3.898 20 0 EHADLO COc1ccccc1-c1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000904267626 1031896697 /nfs/dbraw/zinc/89/66/97/1031896697.db2.gz PENDMHOGJOUDKZ-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO Cc1ccc(N2CCCC2)c(-c2nc(-c3ccc(N)[nH+]c3C)no2)c1 ZINC000904262036 1031908318 /nfs/dbraw/zinc/90/83/18/1031908318.db2.gz VPEPIOUXNAUHDR-UHFFFAOYSA-N 1 2 335.411 3.598 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1ccccc1O ZINC000584195740 1031910465 /nfs/dbraw/zinc/91/04/65/1031910465.db2.gz OVDOHRBOACELII-HNNXBMFYSA-N 1 2 337.423 3.602 20 0 EHADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1ccccc1O ZINC000584195740 1031910478 /nfs/dbraw/zinc/91/04/78/1031910478.db2.gz OVDOHRBOACELII-HNNXBMFYSA-N 1 2 337.423 3.602 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1ccc(SC)c(OC)c1 ZINC000460666043 1031943921 /nfs/dbraw/zinc/94/39/21/1031943921.db2.gz BIHCJPHILHTOAC-UHFFFAOYSA-N 1 2 327.453 3.821 20 0 EHADLO CC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCC1 ZINC000159214762 1031945903 /nfs/dbraw/zinc/94/59/03/1031945903.db2.gz WGUKGIPDKUVOJL-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO Fc1cccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)s2)c1 ZINC000195014943 1031960425 /nfs/dbraw/zinc/96/04/25/1031960425.db2.gz MUTHJNRBBCWQCT-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO Fc1cccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)s2)c1 ZINC000195014943 1031960438 /nfs/dbraw/zinc/96/04/38/1031960438.db2.gz MUTHJNRBBCWQCT-SFHVURJKSA-N 1 2 333.428 3.546 20 0 EHADLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000343694911 1031983312 /nfs/dbraw/zinc/98/33/12/1031983312.db2.gz QCFKWZOBOBVEJQ-UHFFFAOYSA-N 1 2 349.478 3.697 20 0 EHADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000924646821 1031991151 /nfs/dbraw/zinc/99/11/51/1031991151.db2.gz CKCQPJPUNJGRQQ-MRXNPFEDSA-N 1 2 327.428 3.867 20 0 EHADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(O)c1 ZINC000181541220 1032002246 /nfs/dbraw/zinc/00/22/46/1032002246.db2.gz RQETXYDMOCSMMW-NSHDSACASA-N 1 2 329.787 3.946 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000537900401 1032005543 /nfs/dbraw/zinc/00/55/43/1032005543.db2.gz SMBUIERNTHDNCN-GOSISDBHSA-N 1 2 333.520 3.995 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000537900401 1032005561 /nfs/dbraw/zinc/00/55/61/1032005561.db2.gz SMBUIERNTHDNCN-GOSISDBHSA-N 1 2 333.520 3.995 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccnc1 ZINC000181656643 1032015204 /nfs/dbraw/zinc/01/52/04/1032015204.db2.gz HBBMWAFQNQEMIO-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO CCc1nc2sccc2c(NC[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000533884428 1032022160 /nfs/dbraw/zinc/02/21/60/1032022160.db2.gz FYZHFZRUATWJJW-GFCCVEGCSA-N 1 2 327.457 3.748 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000455815703 1032022645 /nfs/dbraw/zinc/02/26/45/1032022645.db2.gz WNOWKTHHMGEQPM-UHFFFAOYSA-N 1 2 346.381 3.547 20 0 EHADLO COc1nccc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000449007336 1032046784 /nfs/dbraw/zinc/04/67/84/1032046784.db2.gz KWJCSIRPYHBJHE-MRXNPFEDSA-N 1 2 343.477 3.756 20 0 EHADLO COc1nccc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000449007336 1032046798 /nfs/dbraw/zinc/04/67/98/1032046798.db2.gz KWJCSIRPYHBJHE-MRXNPFEDSA-N 1 2 343.477 3.756 20 0 EHADLO O=C(Cn1cc[nH+]c1)Nc1ccc(F)cc1Nc1ccccc1F ZINC000574549530 1033294836 /nfs/dbraw/zinc/29/48/36/1033294836.db2.gz CIKPOMMSQCQBPZ-UHFFFAOYSA-N 1 2 328.322 3.544 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CC[C@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054880 1033309445 /nfs/dbraw/zinc/30/94/45/1033309445.db2.gz KMJOFKSJISWGMM-JSGCOSHPSA-N 1 2 344.352 3.514 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CC[C@H](C(F)(F)F)C3)C2=O)c1 ZINC000761054880 1033309458 /nfs/dbraw/zinc/30/94/58/1033309458.db2.gz KMJOFKSJISWGMM-JSGCOSHPSA-N 1 2 344.352 3.514 20 0 EHADLO CCCCn1nnnc1C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000607835602 1033325479 /nfs/dbraw/zinc/32/54/79/1033325479.db2.gz NUNRWHAYFNWQRC-GOSISDBHSA-N 1 2 343.475 3.599 20 0 EHADLO CCCCn1nnnc1C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000607835602 1033325491 /nfs/dbraw/zinc/32/54/91/1033325491.db2.gz NUNRWHAYFNWQRC-GOSISDBHSA-N 1 2 343.475 3.599 20 0 EHADLO CCC[C@H](CC(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000449872864 1033349961 /nfs/dbraw/zinc/34/99/61/1033349961.db2.gz RZOGUHUIXNXOKV-ZWKOTPCHSA-N 1 2 331.504 3.749 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187192 1033385911 /nfs/dbraw/zinc/38/59/11/1033385911.db2.gz DVGUJYGOLUUTPC-OALUTQOASA-N 1 2 329.415 3.575 20 0 EHADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187192 1033385925 /nfs/dbraw/zinc/38/59/25/1033385925.db2.gz DVGUJYGOLUUTPC-OALUTQOASA-N 1 2 329.415 3.575 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000171756408 1033417389 /nfs/dbraw/zinc/41/73/89/1033417389.db2.gz KWSSUUPVQDADIP-UHFFFAOYSA-N 1 2 331.828 3.764 20 0 EHADLO Cc1ccc(CSCc2ccc(OCC(F)(F)F)nn2)c(C)[nH+]1 ZINC000594558708 1033450217 /nfs/dbraw/zinc/45/02/17/1033450217.db2.gz BZWCCRPVOBIXFU-UHFFFAOYSA-N 1 2 343.374 3.863 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[NH2+]Cc3nnnn3C3CC3)cc2)c1 ZINC000608068763 1033457074 /nfs/dbraw/zinc/45/70/74/1033457074.db2.gz ZLBYKPSOPZKRDQ-UHFFFAOYSA-N 1 2 333.439 3.582 20 0 EHADLO Cc1sc2nc(C[N@@H+](Cc3cccnc3)C(C)C)nc(N)c2c1C ZINC000093223721 1033480681 /nfs/dbraw/zinc/48/06/81/1033480681.db2.gz PCHQQNZBVVTTQZ-UHFFFAOYSA-N 1 2 341.484 3.696 20 0 EHADLO Cc1sc2nc(C[N@H+](Cc3cccnc3)C(C)C)nc(N)c2c1C ZINC000093223721 1033480690 /nfs/dbraw/zinc/48/06/90/1033480690.db2.gz PCHQQNZBVVTTQZ-UHFFFAOYSA-N 1 2 341.484 3.696 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000091920520 1033482456 /nfs/dbraw/zinc/48/24/56/1033482456.db2.gz KBOWOPGNRLYIBM-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1coc2ccccc12)c1cccs1 ZINC000091920520 1033482468 /nfs/dbraw/zinc/48/24/68/1033482468.db2.gz KBOWOPGNRLYIBM-RDJZCZTQSA-N 1 2 343.448 3.819 20 0 EHADLO CCOc1ccc(CNc2cc(CSCCO)cc[nH+]2)c(C)c1 ZINC000594735471 1033508430 /nfs/dbraw/zinc/50/84/30/1033508430.db2.gz RDWVXOXEHVLMDK-UHFFFAOYSA-N 1 2 332.469 3.626 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000120201985 1033511590 /nfs/dbraw/zinc/51/15/90/1033511590.db2.gz ACNRZOGTSKMEDV-CQSZACIVSA-N 1 2 339.464 3.730 20 0 EHADLO Cc1ccccc1C1(C(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000603296768 1033527083 /nfs/dbraw/zinc/52/70/83/1033527083.db2.gz BGNCFWBAFFVTLY-UHFFFAOYSA-N 1 2 339.483 3.990 20 0 EHADLO CCSCc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000455873312 1033539700 /nfs/dbraw/zinc/53/97/00/1033539700.db2.gz MFWWRLHGTHZSQC-UHFFFAOYSA-N 1 2 330.457 3.568 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472341087 1033548473 /nfs/dbraw/zinc/54/84/73/1033548473.db2.gz WPFPBRUZGMBQEN-GOSISDBHSA-N 1 2 330.403 3.678 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000472341087 1033548483 /nfs/dbraw/zinc/54/84/83/1033548483.db2.gz WPFPBRUZGMBQEN-GOSISDBHSA-N 1 2 330.403 3.678 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000106240305 1033560164 /nfs/dbraw/zinc/56/01/64/1033560164.db2.gz UGLPVRDPJNQUQA-RDBSUJKOSA-N 1 2 331.485 3.622 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000106242524 1033560187 /nfs/dbraw/zinc/56/01/87/1033560187.db2.gz OGOJVYMRCPDNKW-ZJUUUORDSA-N 1 2 343.374 3.840 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)[nH]c1C ZINC000594947416 1033591108 /nfs/dbraw/zinc/59/11/08/1033591108.db2.gz DCAVKZWHAVDUOU-DLBZAZTESA-N 1 2 341.455 3.686 20 0 EHADLO Cc1[nH]c(CN[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)[nH+]c1C ZINC000594947416 1033591111 /nfs/dbraw/zinc/59/11/11/1033591111.db2.gz DCAVKZWHAVDUOU-DLBZAZTESA-N 1 2 341.455 3.686 20 0 EHADLO C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Sc1ccccc1 ZINC000608313641 1033614324 /nfs/dbraw/zinc/61/43/24/1033614324.db2.gz FHACSGLFKKDJKW-CYBMUJFWSA-N 1 2 326.425 3.637 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1(CF)CCC1 ZINC000574878897 1033669963 /nfs/dbraw/zinc/66/99/63/1033669963.db2.gz XVDIAFLFGGFBAF-UHFFFAOYSA-N 1 2 327.403 3.965 20 0 EHADLO Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000120312714 1033682364 /nfs/dbraw/zinc/68/23/64/1033682364.db2.gz OEXOIUQEPZACMP-UHFFFAOYSA-N 1 2 347.827 3.635 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(F)cc(F)c1 ZINC000120324049 1033690541 /nfs/dbraw/zinc/69/05/41/1033690541.db2.gz XWCUZFAQLKDCCM-UHFFFAOYSA-N 1 2 342.349 3.531 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc2ccncc2s1 ZINC000657941839 1033699072 /nfs/dbraw/zinc/69/90/72/1033699072.db2.gz LKRDMZRKKFNTKT-ZDUSSCGKSA-N 1 2 340.452 3.701 20 0 EHADLO Fc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000063790386 1033700071 /nfs/dbraw/zinc/70/00/71/1033700071.db2.gz OBLHINGLPVGUOY-UHFFFAOYSA-N 1 2 344.390 3.637 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)nc2c1 ZINC000595343057 1033736871 /nfs/dbraw/zinc/73/68/71/1033736871.db2.gz VRGPFEANYQVEFG-DJJJIMSYSA-N 1 2 335.407 3.543 20 0 EHADLO COC(=O)c1ccc2[nH]c(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)nc2c1 ZINC000595343057 1033736882 /nfs/dbraw/zinc/73/68/82/1033736882.db2.gz VRGPFEANYQVEFG-DJJJIMSYSA-N 1 2 335.407 3.543 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C(C)(C)C(F)F ZINC000657965700 1033742377 /nfs/dbraw/zinc/74/23/77/1033742377.db2.gz BNOVCXFROFNXRM-JHJVBQTASA-N 1 2 327.419 3.787 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C(C)(C)C(F)F ZINC000657965699 1033742815 /nfs/dbraw/zinc/74/28/15/1033742815.db2.gz BNOVCXFROFNXRM-FRRDWIJNSA-N 1 2 327.419 3.787 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000450115862 1033766849 /nfs/dbraw/zinc/76/68/49/1033766849.db2.gz QADZBZDQUMEFBO-VBSBHUPXSA-N 1 2 337.467 3.877 20 0 EHADLO O=C(Nc1ccc2occc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000529287299 1033770738 /nfs/dbraw/zinc/77/07/38/1033770738.db2.gz VZVPOJLWAGAGIM-UHFFFAOYSA-N 1 2 341.436 3.844 20 0 EHADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000657977846 1033782468 /nfs/dbraw/zinc/78/24/68/1033782468.db2.gz HAJHUEQVEWOIIM-MRXNPFEDSA-N 1 2 340.452 3.543 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561230 1033793004 /nfs/dbraw/zinc/79/30/04/1033793004.db2.gz GFUXZGKLUGGRTP-GFCCVEGCSA-N 1 2 330.407 3.724 20 0 EHADLO Cc1nc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c(C)o1 ZINC000595441868 1033803427 /nfs/dbraw/zinc/80/34/27/1033803427.db2.gz ORBMXFBFAGZFIK-OIISXLGYSA-N 1 2 334.460 3.766 20 0 EHADLO Cc1nc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c(C)o1 ZINC000595441868 1033803439 /nfs/dbraw/zinc/80/34/39/1033803439.db2.gz ORBMXFBFAGZFIK-OIISXLGYSA-N 1 2 334.460 3.766 20 0 EHADLO C[C@@H](c1ccncc1)[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000599203805 1033807399 /nfs/dbraw/zinc/80/73/99/1033807399.db2.gz OMOKAJWJFVAQEF-LBPRGKRZSA-N 1 2 337.254 3.667 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)csc2C1 ZINC000120472939 1033846910 /nfs/dbraw/zinc/84/69/10/1033846910.db2.gz FEBJOFKMQOIYFW-UKRRQHHQSA-N 1 2 342.464 3.561 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608716286 1033851363 /nfs/dbraw/zinc/85/13/63/1033851363.db2.gz SKDZVIOPIOBHKD-OALUTQOASA-N 1 2 338.455 3.771 20 0 EHADLO O=C(N[C@@H](CC1CC1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608717224 1033853445 /nfs/dbraw/zinc/85/34/45/1033853445.db2.gz WYRZTMROECCICQ-SFHVURJKSA-N 1 2 338.455 3.840 20 0 EHADLO Cc1ccc(OCCC[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000608747813 1033858634 /nfs/dbraw/zinc/85/86/34/1033858634.db2.gz FNGJSDSUCSCPLA-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(OCCC[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000608747813 1033858644 /nfs/dbraw/zinc/85/86/44/1033858644.db2.gz FNGJSDSUCSCPLA-GOEBONIOSA-N 1 2 331.378 3.724 20 0 EHADLO CCc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1F ZINC000476451881 1033865943 /nfs/dbraw/zinc/86/59/43/1033865943.db2.gz KRSKTQQCSZBYHU-UHFFFAOYSA-N 1 2 347.340 3.963 20 0 EHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 ZINC000608729158 1033867880 /nfs/dbraw/zinc/86/78/80/1033867880.db2.gz QTGRGNHERQYDQN-QGZVFWFLSA-N 1 2 340.471 3.726 20 0 EHADLO Cc1cncc(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)no2)c1 ZINC000450212095 1033904234 /nfs/dbraw/zinc/90/42/34/1033904234.db2.gz CALHZFFQFAVJKQ-UHFFFAOYSA-N 1 2 348.450 3.895 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cncs2)Cc2ccccc21 ZINC000595612062 1033921796 /nfs/dbraw/zinc/92/17/96/1033921796.db2.gz NRSCHWQLXJABQT-INIZCTEOSA-N 1 2 330.453 3.584 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cncs2)Cc2ccccc21 ZINC000595612062 1033921803 /nfs/dbraw/zinc/92/18/03/1033921803.db2.gz NRSCHWQLXJABQT-INIZCTEOSA-N 1 2 330.453 3.584 20 0 EHADLO C[C@H](c1csnn1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000450238058 1033960585 /nfs/dbraw/zinc/96/05/85/1033960585.db2.gz TZGNCYIAGHBRCI-CHWSQXEVSA-N 1 2 336.892 3.631 20 0 EHADLO O=C(CCCC(=O)C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000450256665 1033975575 /nfs/dbraw/zinc/97/55/75/1033975575.db2.gz RAZLGPSIMKSVNF-UHFFFAOYSA-N 1 2 349.434 3.690 20 0 EHADLO Cc1ccc(CCCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000612072822 1033992820 /nfs/dbraw/zinc/99/28/20/1033992820.db2.gz NUUYMWPITNOXJR-UHFFFAOYSA-N 1 2 347.462 3.911 20 0 EHADLO CCOc1ccc(OCCCC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603881717 1034002593 /nfs/dbraw/zinc/00/25/93/1034002593.db2.gz GTSCYRCXLHXNBE-UHFFFAOYSA-N 1 2 339.395 3.531 20 0 EHADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)n1CC(F)(F)F ZINC000603884539 1034008497 /nfs/dbraw/zinc/00/84/97/1034008497.db2.gz ICOHSIHLDSIILH-UHFFFAOYSA-N 1 2 336.317 3.567 20 0 EHADLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884157 1034009931 /nfs/dbraw/zinc/00/99/31/1034009931.db2.gz ULUYDSJZYRRKTF-CYBMUJFWSA-N 1 2 348.410 3.611 20 0 EHADLO Cc1ccc(S[C@H](C)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120649712 1034010295 /nfs/dbraw/zinc/01/02/95/1034010295.db2.gz KBKUVGUTSCFEMZ-NVXWUHKLSA-N 1 2 342.464 3.551 20 0 EHADLO CCC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000658158171 1034014120 /nfs/dbraw/zinc/01/41/20/1034014120.db2.gz GTZCHZMNMFLCFK-CYBMUJFWSA-N 1 2 342.365 3.601 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450270170 1034022300 /nfs/dbraw/zinc/02/23/00/1034022300.db2.gz LVNJJFZCODGHOR-HNNXBMFYSA-N 1 2 348.853 3.688 20 0 EHADLO Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450270170 1034022320 /nfs/dbraw/zinc/02/23/20/1034022320.db2.gz LVNJJFZCODGHOR-HNNXBMFYSA-N 1 2 348.853 3.688 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)cs1 ZINC000595911519 1034028008 /nfs/dbraw/zinc/02/80/08/1034028008.db2.gz XYKNEJABGYFGCT-SFHVURJKSA-N 1 2 330.453 3.735 20 0 EHADLO CCCN(CCC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869256 1034031164 /nfs/dbraw/zinc/03/11/64/1034031164.db2.gz IGCDEEGDJUBAFS-KRWDZBQOSA-N 1 2 328.460 3.536 20 0 EHADLO CN(Cc1ccccc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869234 1034031920 /nfs/dbraw/zinc/03/19/20/1034031920.db2.gz JQBVIGOQVPWMCH-LJQANCHMSA-N 1 2 348.450 3.546 20 0 EHADLO COC(=O)c1csc(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)n1 ZINC000450289117 1034033673 /nfs/dbraw/zinc/03/36/73/1034033673.db2.gz RPURICDKCMHGAE-INIZCTEOSA-N 1 2 330.453 3.884 20 0 EHADLO COC(=O)c1csc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)n1 ZINC000450289117 1034033689 /nfs/dbraw/zinc/03/36/89/1034033689.db2.gz RPURICDKCMHGAE-INIZCTEOSA-N 1 2 330.453 3.884 20 0 EHADLO Cc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2nccs2)C2CC2)cc1 ZINC000118848209 1034038252 /nfs/dbraw/zinc/03/82/52/1034038252.db2.gz JMVYOKFKLPKZFG-QGZVFWFLSA-N 1 2 343.496 3.544 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1cncs1 ZINC000595916821 1034040010 /nfs/dbraw/zinc/04/00/10/1034040010.db2.gz LSSYLFHMMBVFBB-KRWDZBQOSA-N 1 2 344.480 3.627 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1cncs1 ZINC000595916821 1034040023 /nfs/dbraw/zinc/04/00/23/1034040023.db2.gz LSSYLFHMMBVFBB-KRWDZBQOSA-N 1 2 344.480 3.627 20 0 EHADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1cccc(F)c1 ZINC000472359245 1034058519 /nfs/dbraw/zinc/05/85/19/1034058519.db2.gz KXHZZLDRIVYCKZ-DJJJIMSYSA-N 1 2 330.378 3.986 20 0 EHADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1c1cccc(F)c1 ZINC000472359245 1034058530 /nfs/dbraw/zinc/05/85/30/1034058530.db2.gz KXHZZLDRIVYCKZ-DJJJIMSYSA-N 1 2 330.378 3.986 20 0 EHADLO CN(C)c1nc(N2CCC[C@@H](c3nccs3)C2)[nH+]c2ccccc21 ZINC000450297129 1034074091 /nfs/dbraw/zinc/07/40/91/1034074091.db2.gz HPIMIOBVCASAGD-CYBMUJFWSA-N 1 2 339.468 3.536 20 0 EHADLO CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000120761323 1034096551 /nfs/dbraw/zinc/09/65/51/1034096551.db2.gz WDVYFGLZMBAGOU-UHFFFAOYSA-N 1 2 341.802 3.691 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000596157166 1034112228 /nfs/dbraw/zinc/11/22/28/1034112228.db2.gz PLPRRFFYAWHESW-HNNXBMFYSA-N 1 2 339.439 3.570 20 0 EHADLO CCCCNC(=O)C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529523197 1034129078 /nfs/dbraw/zinc/12/90/78/1034129078.db2.gz MZZQXYHVYHHNOJ-UHFFFAOYSA-N 1 2 344.833 3.747 20 0 EHADLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C12CCC2 ZINC000658252263 1034133374 /nfs/dbraw/zinc/13/33/74/1034133374.db2.gz IMHALSULWFRHHB-BRWVUGGUSA-N 1 2 340.471 3.610 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529526276 1034134365 /nfs/dbraw/zinc/13/43/65/1034134365.db2.gz AVAXLEVBPUFHPH-JTQLQIEISA-N 1 2 339.208 3.882 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529526276 1034134368 /nfs/dbraw/zinc/13/43/68/1034134368.db2.gz AVAXLEVBPUFHPH-JTQLQIEISA-N 1 2 339.208 3.882 20 0 EHADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560085 1034173056 /nfs/dbraw/zinc/17/30/56/1034173056.db2.gz YCOFLAKHPCNNES-GYSYKLTISA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@@H](C)O2 ZINC000529560085 1034173074 /nfs/dbraw/zinc/17/30/74/1034173074.db2.gz YCOFLAKHPCNNES-GYSYKLTISA-N 1 2 335.391 3.535 20 0 EHADLO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc2n(n1)CCCC2 ZINC000658329334 1034181923 /nfs/dbraw/zinc/18/19/23/1034181923.db2.gz LCXRPVHVUKNUGD-NSHDSACASA-N 1 2 339.361 3.811 20 0 EHADLO C[S@](=O)[C@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000596376888 1034212560 /nfs/dbraw/zinc/21/25/60/1034212560.db2.gz VCVULEAYNVDYPB-UAVUOLJFSA-N 1 2 344.480 3.762 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC000450367727 1034218010 /nfs/dbraw/zinc/21/80/10/1034218010.db2.gz CYCMKKZOLAACAY-QGZVFWFLSA-N 1 2 335.451 3.764 20 0 EHADLO CC(C)Cc1ccc([C@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000119714219 1034229155 /nfs/dbraw/zinc/22/91/55/1034229155.db2.gz MBDPMJRKKQWYSH-IRXDYDNUSA-N 1 2 327.472 3.638 20 0 EHADLO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCSCC2)n1 ZINC000060159832 1034257120 /nfs/dbraw/zinc/25/71/20/1034257120.db2.gz SAARMMUZDDNNGL-UHFFFAOYSA-N 1 2 343.283 3.567 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000120994298 1034283714 /nfs/dbraw/zinc/28/37/14/1034283714.db2.gz BXAULNXXMZDHFQ-CQSZACIVSA-N 1 2 346.562 3.781 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000120994298 1034283725 /nfs/dbraw/zinc/28/37/25/1034283725.db2.gz BXAULNXXMZDHFQ-CQSZACIVSA-N 1 2 346.562 3.781 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604300186 1034317323 /nfs/dbraw/zinc/31/73/23/1034317323.db2.gz HFCIHESLAYHWJK-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000302749364 1034340688 /nfs/dbraw/zinc/34/06/88/1034340688.db2.gz UJMVIBIPTAPFCH-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000302749364 1034340697 /nfs/dbraw/zinc/34/06/97/1034340697.db2.gz UJMVIBIPTAPFCH-UHFFFAOYSA-N 1 2 341.238 3.677 20 0 EHADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456381919 1034377049 /nfs/dbraw/zinc/37/70/49/1034377049.db2.gz ONZKBQYUUCAEIQ-YJBOKZPZSA-N 1 2 343.858 3.853 20 0 EHADLO CN(c1ccccc1)C1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000450474945 1034392088 /nfs/dbraw/zinc/39/20/88/1034392088.db2.gz UGDWMBVVYAWVIM-UHFFFAOYSA-N 1 2 328.485 3.516 20 0 EHADLO CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@H](C)c1cccc(O)c1 ZINC000450475169 1034392316 /nfs/dbraw/zinc/39/23/16/1034392316.db2.gz VYUNZQHHFGTMNJ-OAHLLOKOSA-N 1 2 347.480 3.769 20 0 EHADLO CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@H](C)c1cccc(O)c1 ZINC000450475169 1034392332 /nfs/dbraw/zinc/39/23/32/1034392332.db2.gz VYUNZQHHFGTMNJ-OAHLLOKOSA-N 1 2 347.480 3.769 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456395721 1034397548 /nfs/dbraw/zinc/39/75/48/1034397548.db2.gz ZZBHZSRDPVGIHL-QGZVFWFLSA-N 1 2 331.847 3.760 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccccn2)nc2ccc(Cl)cc21 ZINC000534332023 1034406978 /nfs/dbraw/zinc/40/69/78/1034406978.db2.gz GAJOIDIVFHOQRT-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccccn2)nc2ccc(Cl)cc21 ZINC000534332023 1034406983 /nfs/dbraw/zinc/40/69/83/1034406983.db2.gz GAJOIDIVFHOQRT-INIZCTEOSA-N 1 2 326.831 3.959 20 0 EHADLO Cc1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cnn1C1CCCC1 ZINC000192986499 1034412633 /nfs/dbraw/zinc/41/26/33/1034412633.db2.gz YVCNXNVBFODTBG-UHFFFAOYSA-N 1 2 335.411 3.745 20 0 EHADLO Cn1ccc2c1cccc2NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604621293 1034438065 /nfs/dbraw/zinc/43/80/65/1034438065.db2.gz MJENOMOOGXBMFH-UHFFFAOYSA-N 1 2 345.406 3.686 20 0 EHADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)NCCCn1cc[nH+]c1 ZINC000604631015 1034440347 /nfs/dbraw/zinc/44/03/47/1034440347.db2.gz XBMZTKWBYZKPAI-QGZVFWFLSA-N 1 2 334.508 3.958 20 0 EHADLO CC(C)CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Cl)c1 ZINC000529695930 1034442897 /nfs/dbraw/zinc/44/28/97/1034442897.db2.gz IIWDGRRJTAZOEE-CYBMUJFWSA-N 1 2 349.837 3.927 20 0 EHADLO CC(C)[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000534394960 1034470729 /nfs/dbraw/zinc/47/07/29/1034470729.db2.gz NVMQJOWFRNYNDJ-SFHVURJKSA-N 1 2 329.419 3.579 20 0 EHADLO Cc1cc(C)c(/C=C/C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000060426435 1034526009 /nfs/dbraw/zinc/52/60/09/1034526009.db2.gz ILWOBPKDBOECMY-BQYQJAHWSA-N 1 2 349.478 3.805 20 0 EHADLO CC[C@@H](C)[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000604861722 1034531907 /nfs/dbraw/zinc/53/19/07/1034531907.db2.gz OXASGGRODXSLJB-UTKZUKDTSA-N 1 2 336.479 3.948 20 0 EHADLO NC(Cc1ccccc1)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000060453834 1034547680 /nfs/dbraw/zinc/54/76/80/1034547680.db2.gz JJVNPEQQAWBREQ-UHFFFAOYSA-N 1 2 337.448 3.765 20 0 EHADLO COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)CC2 ZINC000431636798 1034558233 /nfs/dbraw/zinc/55/82/33/1034558233.db2.gz XQHLFLHKNDKJOK-KRWDZBQOSA-N 1 2 333.391 3.754 20 0 EHADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000375802477 1034558607 /nfs/dbraw/zinc/55/86/07/1034558607.db2.gz UICIOMOWXQBXSK-RHSMWYFYSA-N 1 2 337.427 3.883 20 0 EHADLO CC(C)c1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)s1 ZINC000450611255 1034592703 /nfs/dbraw/zinc/59/27/03/1034592703.db2.gz HZZDMSFTUDMYGE-AWEZNQCLSA-N 1 2 348.491 3.679 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](OC)C2CCCC2)cs1 ZINC000659959306 1034607267 /nfs/dbraw/zinc/60/72/67/1034607267.db2.gz HBAYQHGAGVNETJ-CZUORRHYSA-N 1 2 326.506 3.878 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](OC)C2CCCC2)cs1 ZINC000659959306 1034607274 /nfs/dbraw/zinc/60/72/74/1034607274.db2.gz HBAYQHGAGVNETJ-CZUORRHYSA-N 1 2 326.506 3.878 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@H](c2ccccc2)C1 ZINC000605080153 1034620543 /nfs/dbraw/zinc/62/05/43/1034620543.db2.gz FWEYKJJJJXMCTA-KRWDZBQOSA-N 1 2 338.382 3.701 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@H](c2ccccc2)C1 ZINC000605080153 1034620548 /nfs/dbraw/zinc/62/05/48/1034620548.db2.gz FWEYKJJJJXMCTA-KRWDZBQOSA-N 1 2 338.382 3.701 20 0 EHADLO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000246989790 1034637459 /nfs/dbraw/zinc/63/74/59/1034637459.db2.gz WHMFUVMPHIBAHH-ZOBUZTSGSA-N 1 2 341.455 3.601 20 0 EHADLO Cc1cccc(-c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)c1 ZINC000605112393 1034639814 /nfs/dbraw/zinc/63/98/14/1034639814.db2.gz BTKNRGZARBZXOV-UHFFFAOYSA-N 1 2 333.435 3.955 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000605154554 1034650865 /nfs/dbraw/zinc/65/08/65/1034650865.db2.gz UMTLNLQKPLWVIB-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000605154554 1034650872 /nfs/dbraw/zinc/65/08/72/1034650872.db2.gz UMTLNLQKPLWVIB-GOSISDBHSA-N 1 2 326.465 3.724 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1)c1cccs1 ZINC000605156513 1034654986 /nfs/dbraw/zinc/65/49/86/1034654986.db2.gz XVKXSSTUXZSOFY-RHSMWYFYSA-N 1 2 346.521 3.715 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1)c1cccs1 ZINC000605156513 1034654996 /nfs/dbraw/zinc/65/49/96/1034654996.db2.gz XVKXSSTUXZSOFY-RHSMWYFYSA-N 1 2 346.521 3.715 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(C(=O)OC)cs2)cc1 ZINC000450667158 1034668594 /nfs/dbraw/zinc/66/85/94/1034668594.db2.gz JSNNTZSCWAJXCR-LLVKDONJSA-N 1 2 336.482 3.893 20 0 EHADLO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000007846651 1034702623 /nfs/dbraw/zinc/70/26/23/1034702623.db2.gz DDZRPLWIGKXHPS-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000007846651 1034702636 /nfs/dbraw/zinc/70/26/36/1034702636.db2.gz DDZRPLWIGKXHPS-UHFFFAOYSA-N 1 2 328.359 3.837 20 0 EHADLO COc1ccnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000450699299 1034712048 /nfs/dbraw/zinc/71/20/48/1034712048.db2.gz XUSCGZXNXNXUSP-MRXNPFEDSA-N 1 2 337.345 3.745 20 0 EHADLO Cc1ccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000605434135 1034734077 /nfs/dbraw/zinc/73/40/77/1034734077.db2.gz FQCLHEXCFYNWEQ-UHFFFAOYSA-N 1 2 341.798 3.852 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccc(Cl)s1 ZINC000450730825 1034734896 /nfs/dbraw/zinc/73/48/96/1034734896.db2.gz XUNVPATWMVKWHD-MRVPVSSYSA-N 1 2 330.862 3.886 20 0 EHADLO O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000605441562 1034737034 /nfs/dbraw/zinc/73/70/34/1034737034.db2.gz JFALQEYPWCQPLL-UHFFFAOYSA-N 1 2 349.438 3.955 20 0 EHADLO Clc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)o2)cc1 ZINC000076759276 1034768380 /nfs/dbraw/zinc/76/83/80/1034768380.db2.gz JZYQLIKFCWFYDA-OAHLLOKOSA-N 1 2 348.830 3.722 20 0 EHADLO Clc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3C3OCCO3)o2)cc1 ZINC000076759276 1034768395 /nfs/dbraw/zinc/76/83/95/1034768395.db2.gz JZYQLIKFCWFYDA-OAHLLOKOSA-N 1 2 348.830 3.722 20 0 EHADLO CC(C)(C)C1CC[NH+](Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000172013649 1034772192 /nfs/dbraw/zinc/77/21/92/1034772192.db2.gz JDDBYKCCEQCEKB-UHFFFAOYSA-N 1 2 340.562 3.990 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000456829461 1034773766 /nfs/dbraw/zinc/77/37/66/1034773766.db2.gz CAYGPAINKSDOFM-UONOGXRCSA-N 1 2 334.341 3.536 20 0 EHADLO Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2)cc1 ZINC000612320446 1034778748 /nfs/dbraw/zinc/77/87/48/1034778748.db2.gz BBYKNWSPIUVXAV-WOJBJXKFSA-N 1 2 345.446 3.815 20 0 EHADLO Cc1cc(C)c(CNC(=O)COc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000456836378 1034782955 /nfs/dbraw/zinc/78/29/55/1034782955.db2.gz KBMGLGLCESCJIC-UHFFFAOYSA-N 1 2 339.222 3.700 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(C(C)(C)C)cc2cccnc21 ZINC000529940260 1034800265 /nfs/dbraw/zinc/80/02/65/1034800265.db2.gz GODOMQRTBPZOLN-UHFFFAOYSA-N 1 2 336.439 3.837 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000605698733 1034820832 /nfs/dbraw/zinc/82/08/32/1034820832.db2.gz OWZSKYHPAVSPSF-NVXWUHKLSA-N 1 2 340.446 3.988 20 0 EHADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000605698733 1034820842 /nfs/dbraw/zinc/82/08/42/1034820842.db2.gz OWZSKYHPAVSPSF-NVXWUHKLSA-N 1 2 340.446 3.988 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000450828925 1034833172 /nfs/dbraw/zinc/83/31/72/1034833172.db2.gz LGTQEYDSKQTGEN-HNNXBMFYSA-N 1 2 327.819 3.748 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@H+](C)[C@H]2CCSC2)c1=S ZINC000755799554 1034872453 /nfs/dbraw/zinc/87/24/53/1034872453.db2.gz XCWZHPIDMVWVEA-NSHDSACASA-N 1 2 327.906 3.757 20 0 EHADLO Cn1c2ccc(Cl)cc2n(C[N@@H+](C)[C@H]2CCSC2)c1=S ZINC000755799554 1034872463 /nfs/dbraw/zinc/87/24/63/1034872463.db2.gz XCWZHPIDMVWVEA-NSHDSACASA-N 1 2 327.906 3.757 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530043031 1034908310 /nfs/dbraw/zinc/90/83/10/1034908310.db2.gz VFZMORVWQFVDOP-UZLBHIALSA-N 1 2 345.446 3.789 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000530043031 1034908315 /nfs/dbraw/zinc/90/83/15/1034908315.db2.gz VFZMORVWQFVDOP-UZLBHIALSA-N 1 2 345.446 3.789 20 0 EHADLO C/C(=C/C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000255865852 1034918621 /nfs/dbraw/zinc/91/86/21/1034918621.db2.gz NLUGBDHCHOHZQB-KAMYIIQDSA-N 1 2 329.831 3.804 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cccs2)CC1 ZINC000121496206 1034977050 /nfs/dbraw/zinc/97/70/50/1034977050.db2.gz DRFPUXOUFBYTAB-CQSZACIVSA-N 1 2 340.452 3.681 20 0 EHADLO CC[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000413771568 1034994305 /nfs/dbraw/zinc/99/43/05/1034994305.db2.gz AAKUUVHEAQHTOI-HKUYNNGSSA-N 1 2 329.488 3.551 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000444689089 1035001609 /nfs/dbraw/zinc/00/16/09/1035001609.db2.gz FEQRTXIJUNTFHY-NWDGAFQWSA-N 1 2 335.370 3.578 20 0 EHADLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000444689089 1035001618 /nfs/dbraw/zinc/00/16/18/1035001618.db2.gz FEQRTXIJUNTFHY-NWDGAFQWSA-N 1 2 335.370 3.578 20 0 EHADLO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1Cl ZINC000892500614 1035005596 /nfs/dbraw/zinc/00/55/96/1035005596.db2.gz XUCDTUYTDAHHFY-VIFPVBQESA-N 1 2 329.778 3.834 20 0 EHADLO CSc1ccc([C@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000545252088 1035015731 /nfs/dbraw/zinc/01/57/31/1035015731.db2.gz UFAIZTZUNIMTIM-AWEZNQCLSA-N 1 2 339.464 3.785 20 0 EHADLO CC[C@](C)(NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1nccs1 ZINC000376056135 1035192940 /nfs/dbraw/zinc/19/29/40/1035192940.db2.gz MQYXVDIKOBFTIS-SGTLLEGYSA-N 1 2 346.500 3.536 20 0 EHADLO CC[C@](C)(NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1nccs1 ZINC000376056135 1035192943 /nfs/dbraw/zinc/19/29/43/1035192943.db2.gz MQYXVDIKOBFTIS-SGTLLEGYSA-N 1 2 346.500 3.536 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)s1 ZINC000892512376 1035214341 /nfs/dbraw/zinc/21/43/41/1035214341.db2.gz RKZOIYFJKPEUOU-UHFFFAOYSA-N 1 2 344.484 3.690 20 0 EHADLO CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511394724 1035294914 /nfs/dbraw/zinc/29/49/14/1035294914.db2.gz AJBLQUQFJITBJH-QZTJIDSGSA-N 1 2 344.503 3.661 20 0 EHADLO CN(C)c1cc(COC(=O)c2csc(-c3cccs3)n2)cc[nH+]1 ZINC000755896494 1035435804 /nfs/dbraw/zinc/43/58/04/1035435804.db2.gz CZYMFEOSXJDQLO-UHFFFAOYSA-N 1 2 345.449 3.690 20 0 EHADLO CSc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1Cl ZINC000185618571 1035501909 /nfs/dbraw/zinc/50/19/09/1035501909.db2.gz IBWKBSUMZJRHPV-UHFFFAOYSA-N 1 2 328.846 3.566 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1c(Cl)cccc1Cl ZINC000492230012 1035502737 /nfs/dbraw/zinc/50/27/37/1035502737.db2.gz AQDMHPQDNKMZOL-SREVYHEPSA-N 1 2 338.238 3.752 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456890280 1035502747 /nfs/dbraw/zinc/50/27/47/1035502747.db2.gz ZYLCBODIVXGSLU-WBVHZDCISA-N 1 2 331.847 3.769 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000463448392 1035516137 /nfs/dbraw/zinc/51/61/37/1035516137.db2.gz ZQKKBKBLTUQECG-LJQANCHMSA-N 1 2 342.508 3.832 20 0 EHADLO Cc1ccccc1CS(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000185922653 1035542178 /nfs/dbraw/zinc/54/21/78/1035542178.db2.gz PESCRJOJIFANNQ-UHFFFAOYSA-N 1 2 344.480 3.661 20 0 EHADLO Cc1ccccc1CS(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000185922653 1035542185 /nfs/dbraw/zinc/54/21/85/1035542185.db2.gz PESCRJOJIFANNQ-UHFFFAOYSA-N 1 2 344.480 3.661 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c(OCC2CC2)c1 ZINC000414110018 1035559041 /nfs/dbraw/zinc/55/90/41/1035559041.db2.gz LIKWVKRDOABIFS-OAHLLOKOSA-N 1 2 325.456 3.777 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(OC2CCCC2)c1 ZINC000414110856 1035565811 /nfs/dbraw/zinc/56/58/11/1035565811.db2.gz MBABLHMZJQTTID-CQSZACIVSA-N 1 2 329.444 3.601 20 0 EHADLO CCCC[C@H](CCC)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492273801 1035571268 /nfs/dbraw/zinc/57/12/68/1035571268.db2.gz UERVYRDQYZVOIW-INIZCTEOSA-N 1 2 329.448 3.807 20 0 EHADLO COc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000186059482 1035574587 /nfs/dbraw/zinc/57/45/87/1035574587.db2.gz OPVDIFJSIXUZBB-UHFFFAOYSA-N 1 2 325.343 3.581 20 0 EHADLO C[C@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000571645792 1035580455 /nfs/dbraw/zinc/58/04/55/1035580455.db2.gz IPDLEKZPHAXPBG-BXUZGUMPSA-N 1 2 343.324 3.783 20 0 EHADLO COc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1Cl ZINC000540695318 1035596233 /nfs/dbraw/zinc/59/62/33/1035596233.db2.gz JMKPVGIEMRLABN-CYBMUJFWSA-N 1 2 347.846 3.753 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000186181729 1035597135 /nfs/dbraw/zinc/59/71/35/1035597135.db2.gz IXLHZQDMAXMVHV-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000186181729 1035597140 /nfs/dbraw/zinc/59/71/40/1035597140.db2.gz IXLHZQDMAXMVHV-MRXNPFEDSA-N 1 2 347.846 3.587 20 0 EHADLO COc1cc(C)[nH+]c(CSCCOCCOc2ccccc2)c1 ZINC000540724404 1035611552 /nfs/dbraw/zinc/61/15/52/1035611552.db2.gz LWQWDUINRKNJJB-UHFFFAOYSA-N 1 2 333.453 3.727 20 0 EHADLO O=C(N[C@@H]1CCCCC12CCCC2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000463536014 1035621076 /nfs/dbraw/zinc/62/10/76/1035621076.db2.gz MYRSNSAZJXWUFQ-ZWKOTPCHSA-N 1 2 343.471 3.747 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(Br)c3C)ccc2[nH+]1 ZINC000463612941 1035680614 /nfs/dbraw/zinc/68/06/14/1035680614.db2.gz OOHULCMDMCOKME-UHFFFAOYSA-N 1 2 344.212 3.966 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C)nc2C)c(C)c1 ZINC000186756653 1035697335 /nfs/dbraw/zinc/69/73/35/1035697335.db2.gz OXHKTHFTBMICAF-UHFFFAOYSA-N 1 2 325.456 3.694 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C)nc2C)c(C)c1 ZINC000186756653 1035697345 /nfs/dbraw/zinc/69/73/45/1035697345.db2.gz OXHKTHFTBMICAF-UHFFFAOYSA-N 1 2 325.456 3.694 20 0 EHADLO Cc1ccc(C[S@](=O)Cc2ncc(-c3cccs3)o2)c(C)[nH+]1 ZINC000187156901 1035777973 /nfs/dbraw/zinc/77/79/73/1035777973.db2.gz ZKIBXNFQQBUBPU-QFIPXVFZSA-N 1 2 332.450 3.864 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000187219391 1035790966 /nfs/dbraw/zinc/79/09/66/1035790966.db2.gz JJIBLGHLENBLQZ-OWJWWREXSA-N 1 2 344.480 3.537 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187238633 1035798455 /nfs/dbraw/zinc/79/84/55/1035798455.db2.gz WVZIGHXSPQWPKF-FYSMJZIKSA-N 1 2 344.480 3.591 20 0 EHADLO Cc1csc2nc(C[N@@H+](C)[C@@H](C)c3cc(F)ccc3F)cc(=O)n12 ZINC000053125950 1035815606 /nfs/dbraw/zinc/81/56/06/1035815606.db2.gz UEECSGBPFCNRRZ-NSHDSACASA-N 1 2 349.406 3.536 20 0 EHADLO Cc1csc2nc(C[N@H+](C)[C@@H](C)c3cc(F)ccc3F)cc(=O)n12 ZINC000053125950 1035815625 /nfs/dbraw/zinc/81/56/25/1035815625.db2.gz UEECSGBPFCNRRZ-NSHDSACASA-N 1 2 349.406 3.536 20 0 EHADLO CSCc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000174192994 1035836454 /nfs/dbraw/zinc/83/64/54/1035836454.db2.gz KEGUPMFFJLDQSB-UHFFFAOYSA-N 1 2 347.459 3.706 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)s1 ZINC000414164430 1035842115 /nfs/dbraw/zinc/84/21/15/1035842115.db2.gz OGWGVTIZJNUCTE-LLVKDONJSA-N 1 2 329.425 3.570 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc3sccc3c2)s1 ZINC000414164004 1035857863 /nfs/dbraw/zinc/85/78/63/1035857863.db2.gz NVGACEHKDBQLFX-SNVBAGLBSA-N 1 2 332.450 3.995 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000534996877 1035865400 /nfs/dbraw/zinc/86/54/00/1035865400.db2.gz XJXDISCLINXCRS-GFCCVEGCSA-N 1 2 326.625 3.603 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccn(C)n1 ZINC000414171256 1035875809 /nfs/dbraw/zinc/87/58/09/1035875809.db2.gz CZCOOEYRHFNOCE-UWVGGRQHSA-N 1 2 326.213 3.734 20 0 EHADLO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000540986634 1035882742 /nfs/dbraw/zinc/88/27/42/1035882742.db2.gz XATSBAHKYDRBII-YWZLYKJASA-N 1 2 348.450 3.819 20 0 EHADLO Cc1cc(NC(=O)c2cc(Cl)ccc2Br)c(C)c[nH+]1 ZINC000535035715 1035940530 /nfs/dbraw/zinc/94/05/30/1035940530.db2.gz HECDOFIJHPJWTA-UHFFFAOYSA-N 1 2 339.620 3.789 20 0 EHADLO Cc1cc(NC(=O)N(C)Cc2csc3ccccc23)c(C)c[nH+]1 ZINC000535061500 1035945475 /nfs/dbraw/zinc/94/54/75/1035945475.db2.gz MVHPUBDEFBIFDM-UHFFFAOYSA-N 1 2 325.437 3.999 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000613464264 1035963521 /nfs/dbraw/zinc/96/35/21/1035963521.db2.gz MUMSUAKENUBKBJ-CQSZACIVSA-N 1 2 348.849 3.831 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000613464264 1035963538 /nfs/dbraw/zinc/96/35/38/1035963538.db2.gz MUMSUAKENUBKBJ-CQSZACIVSA-N 1 2 348.849 3.831 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000613464641 1035968393 /nfs/dbraw/zinc/96/83/93/1035968393.db2.gz YCYNZSHTMMBCLJ-GJZGRUSLSA-N 1 2 344.430 3.705 20 0 EHADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000613464641 1035968409 /nfs/dbraw/zinc/96/84/09/1035968409.db2.gz YCYNZSHTMMBCLJ-GJZGRUSLSA-N 1 2 344.430 3.705 20 0 EHADLO CCc1cc(N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)nc(C)[nH+]1 ZINC000541090343 1035977305 /nfs/dbraw/zinc/97/73/05/1035977305.db2.gz ODMHRKHQXRFXEF-SJCJKPOMSA-N 1 2 331.847 3.967 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000572132889 1036009589 /nfs/dbraw/zinc/00/95/89/1036009589.db2.gz QMQXDEWMRWANAE-DNVCBOLYSA-N 1 2 341.455 3.741 20 0 EHADLO COc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000572132889 1036009603 /nfs/dbraw/zinc/00/96/03/1036009603.db2.gz QMQXDEWMRWANAE-DNVCBOLYSA-N 1 2 341.455 3.741 20 0 EHADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3nnnn3C3CC3)oc21 ZINC000189132650 1036021129 /nfs/dbraw/zinc/02/11/29/1036021129.db2.gz QNZDIDHNCSORMR-NEPJUHHUSA-N 1 2 341.415 3.565 20 0 EHADLO CCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535115221 1036041072 /nfs/dbraw/zinc/04/10/72/1036041072.db2.gz FHBXOLOHUSINPX-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535115221 1036041094 /nfs/dbraw/zinc/04/10/94/1036041094.db2.gz FHBXOLOHUSINPX-HOTGVXAUSA-N 1 2 341.858 3.666 20 0 EHADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189298549 1036051397 /nfs/dbraw/zinc/05/13/97/1036051397.db2.gz DTWPFFCZEVCXAS-UHFFFAOYSA-N 1 2 332.806 3.969 20 0 EHADLO Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCCc3cnc(C4CC4)nc3)c21 ZINC000642213292 1036076429 /nfs/dbraw/zinc/07/64/29/1036076429.db2.gz VLBQQTIZRSKSPN-UHFFFAOYSA-N 1 2 348.385 3.572 20 0 EHADLO CC(C)c1cccc(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000457419781 1036082792 /nfs/dbraw/zinc/08/27/92/1036082792.db2.gz NMLHJWKAXDAQSR-UHFFFAOYSA-N 1 2 347.462 3.914 20 0 EHADLO COc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)[NH+]2CC(C)C2)cc1 ZINC000572495156 1036117519 /nfs/dbraw/zinc/11/75/19/1036117519.db2.gz HOKOXXNHTWNRRE-OAHLLOKOSA-N 1 2 344.480 3.630 20 0 EHADLO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(F)cc1F ZINC000414231581 1036188095 /nfs/dbraw/zinc/18/80/95/1036188095.db2.gz HHQCWMKIDLBRIC-MRXNPFEDSA-N 1 2 339.407 3.609 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000457532436 1036228275 /nfs/dbraw/zinc/22/82/75/1036228275.db2.gz HYMNBHDZQGIFAL-STQMWFEESA-N 1 2 344.377 3.607 20 0 EHADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457596268 1036308849 /nfs/dbraw/zinc/30/88/49/1036308849.db2.gz JOVVUXOIALPOJS-IEBWSBKVSA-N 1 2 344.503 3.504 20 0 EHADLO CC(C)CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccoc1 ZINC000414256796 1036310197 /nfs/dbraw/zinc/31/01/97/1036310197.db2.gz OHYVIUTVTXRRJI-QGZVFWFLSA-N 1 2 335.469 3.950 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1cccc(C(N)=O)c1 ZINC000190900749 1036320311 /nfs/dbraw/zinc/32/03/11/1036320311.db2.gz AAUAMTKMYFNPDO-UHFFFAOYSA-N 1 2 337.448 3.713 20 0 EHADLO C[C@H]1C[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000589283392 1036339200 /nfs/dbraw/zinc/33/92/00/1036339200.db2.gz HPIAHHOXLVCWRQ-DLBZAZTESA-N 1 2 329.488 3.583 20 0 EHADLO CC(C)[C@H]1N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1(C)C ZINC000457656648 1036363850 /nfs/dbraw/zinc/36/38/50/1036363850.db2.gz DHJQHHBGQPGRMJ-GOSISDBHSA-N 1 2 340.471 3.507 20 0 EHADLO CC(C)N(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000191418953 1036380149 /nfs/dbraw/zinc/38/01/49/1036380149.db2.gz YCEKLYWXWOKXHD-MAUKXSAKSA-N 1 2 345.512 3.950 20 0 EHADLO CC(C)N(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000191418953 1036380171 /nfs/dbraw/zinc/38/01/71/1036380171.db2.gz YCEKLYWXWOKXHD-MAUKXSAKSA-N 1 2 345.512 3.950 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[C@@H](C)n3cc[nH+]c3)n2)CC1 ZINC000572530497 1036404084 /nfs/dbraw/zinc/40/40/84/1036404084.db2.gz DCCPUZRQBYNUQB-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000191676787 1036406687 /nfs/dbraw/zinc/40/66/87/1036406687.db2.gz RHSMHHVEZQSETM-OAHLLOKOSA-N 1 2 347.422 3.627 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000191597416 1036418749 /nfs/dbraw/zinc/41/87/49/1036418749.db2.gz MYOGWVYMBHVJRW-DNVCBOLYSA-N 1 2 338.455 3.553 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1cc(CO)on1 ZINC000925267267 1036420832 /nfs/dbraw/zinc/42/08/32/1036420832.db2.gz CPYYTZBIRMPDHR-VXGBXAGGSA-N 1 2 334.391 3.507 20 0 EHADLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000492979067 1036468656 /nfs/dbraw/zinc/46/86/56/1036468656.db2.gz DWCVTMWUDCOOLF-BYPUDFOVSA-N 1 2 349.356 3.686 20 0 EHADLO FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)nc1 ZINC000572742531 1036478382 /nfs/dbraw/zinc/47/83/82/1036478382.db2.gz AQUJQLSQXBYBLD-MRXNPFEDSA-N 1 2 328.378 3.882 20 0 EHADLO FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)nc1 ZINC000572742531 1036478391 /nfs/dbraw/zinc/47/83/91/1036478391.db2.gz AQUJQLSQXBYBLD-MRXNPFEDSA-N 1 2 328.378 3.882 20 0 EHADLO Cc1cc(OCC(=O)N[C@H]2CCOc3ccccc32)c2ccccc2[nH+]1 ZINC000192193239 1036488610 /nfs/dbraw/zinc/48/86/10/1036488610.db2.gz DTSITEZCUSRICG-SFHVURJKSA-N 1 2 348.402 3.562 20 0 EHADLO CCOc1cc(O)ccc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492986815 1036498489 /nfs/dbraw/zinc/49/84/89/1036498489.db2.gz RGEGJIMDKJLUKK-YHYXMXQVSA-N 1 2 349.390 3.629 20 0 EHADLO Cc1nc(CCCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000175713550 1036507716 /nfs/dbraw/zinc/50/77/16/1036507716.db2.gz GBAXDRTWEJHHHF-UHFFFAOYSA-N 1 2 344.415 3.738 20 0 EHADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cn1 ZINC000541646055 1036526785 /nfs/dbraw/zinc/52/67/85/1036526785.db2.gz UODHXJPESKATKC-ZDUSSCGKSA-N 1 2 344.850 3.549 20 0 EHADLO CCCC[C@H](CCC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175984059 1036543043 /nfs/dbraw/zinc/54/30/43/1036543043.db2.gz GYYVYZVGXJMTLX-HKUYNNGSSA-N 1 2 346.519 3.829 20 0 EHADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589602011 1036544350 /nfs/dbraw/zinc/54/43/50/1036544350.db2.gz BDLPEWRAKOWRLV-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000589602011 1036544358 /nfs/dbraw/zinc/54/43/58/1036544358.db2.gz BDLPEWRAKOWRLV-FQEVSTJZSA-N 1 2 329.415 3.895 20 0 EHADLO FC1(F)CC[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000349977461 1036563713 /nfs/dbraw/zinc/56/37/13/1036563713.db2.gz BIMAZBMVYDRRMC-AWEZNQCLSA-N 1 2 330.338 3.884 20 0 EHADLO CC[C@](C)([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000639927536 1036568322 /nfs/dbraw/zinc/56/83/22/1036568322.db2.gz FUGQTAVCEITTSE-HNNXBMFYSA-N 1 2 340.240 3.737 20 0 EHADLO CCn1cc(C[NH2+][C@H](c2cccs2)c2ccc(Cl)cc2)nn1 ZINC000892607185 1036600148 /nfs/dbraw/zinc/60/01/48/1036600148.db2.gz IQYVQGBJEKPKEB-INIZCTEOSA-N 1 2 332.860 3.892 20 0 EHADLO Cc1c(-c2cc(C[N@@H+]3CC(C)(C)[C@H]3c3ccco3)on2)cnn1C ZINC000639930138 1036608728 /nfs/dbraw/zinc/60/87/28/1036608728.db2.gz UQMCDHQEKPDODL-QGZVFWFLSA-N 1 2 326.400 3.560 20 0 EHADLO Cc1c(-c2cc(C[N@H+]3CC(C)(C)[C@H]3c3ccco3)on2)cnn1C ZINC000639930138 1036608733 /nfs/dbraw/zinc/60/87/33/1036608733.db2.gz UQMCDHQEKPDODL-QGZVFWFLSA-N 1 2 326.400 3.560 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cscc3C)CC2)c1 ZINC000176487284 1036629925 /nfs/dbraw/zinc/62/99/25/1036629925.db2.gz WZFXEXJYRJTMNO-OAHLLOKOSA-N 1 2 344.480 3.584 20 0 EHADLO Brc1ccc2onc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000685907168 1036638396 /nfs/dbraw/zinc/63/83/96/1036638396.db2.gz HJWRWONUQNWHQG-LBPRGKRZSA-N 1 2 347.216 3.628 20 0 EHADLO CCC(CC)[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccs1 ZINC000457935791 1036656682 /nfs/dbraw/zinc/65/66/82/1036656682.db2.gz JFWQCGPRVVEUSM-INIZCTEOSA-N 1 2 334.489 3.501 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725073 1036701253 /nfs/dbraw/zinc/70/12/53/1036701253.db2.gz LQZLKPIEEOKGGA-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000464725073 1036701273 /nfs/dbraw/zinc/70/12/73/1036701273.db2.gz LQZLKPIEEOKGGA-QRWLVFNGSA-N 1 2 336.414 3.990 20 0 EHADLO C[N@H+](Cn1nc(-c2ccccc2)[nH]c1=S)C1Cc2ccccc2C1 ZINC000057104187 1036705828 /nfs/dbraw/zinc/70/58/28/1036705828.db2.gz MWXVZWDJRLDWFO-UHFFFAOYSA-N 1 2 336.464 3.664 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccccc2)[nH]c1=S)C1Cc2ccccc2C1 ZINC000057104187 1036705849 /nfs/dbraw/zinc/70/58/49/1036705849.db2.gz MWXVZWDJRLDWFO-UHFFFAOYSA-N 1 2 336.464 3.664 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1Cl ZINC000302750278 1036712601 /nfs/dbraw/zinc/71/26/01/1036712601.db2.gz VODOLGXZIZVRKY-AWEZNQCLSA-N 1 2 348.849 3.958 20 0 EHADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1Cl ZINC000302750278 1036712621 /nfs/dbraw/zinc/71/26/21/1036712621.db2.gz VODOLGXZIZVRKY-AWEZNQCLSA-N 1 2 348.849 3.958 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)c(C)n1Cc1cccs1 ZINC000170770866 1036714424 /nfs/dbraw/zinc/71/44/24/1036714424.db2.gz NWTNCKICMIRCAI-HNNXBMFYSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2CCCO[C@@H](C)C2)c(C)n1Cc1cccs1 ZINC000170770866 1036714443 /nfs/dbraw/zinc/71/44/43/1036714443.db2.gz NWTNCKICMIRCAI-HNNXBMFYSA-N 1 2 346.496 3.508 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)s1 ZINC000541882245 1036758719 /nfs/dbraw/zinc/75/87/19/1036758719.db2.gz TUBXMAYQLYBTAU-ZDUSSCGKSA-N 1 2 341.484 3.808 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462263302 1036758999 /nfs/dbraw/zinc/75/89/99/1036758999.db2.gz WUHQXELVAYDXBB-MCPWVCTESA-N 1 2 338.854 3.777 20 0 EHADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462263302 1036759016 /nfs/dbraw/zinc/75/90/16/1036759016.db2.gz WUHQXELVAYDXBB-MCPWVCTESA-N 1 2 338.854 3.777 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)c2nc3ccccc3s2)s1 ZINC000102773206 1036763798 /nfs/dbraw/zinc/76/37/98/1036763798.db2.gz CSJDHNVJSFOOIX-UHFFFAOYSA-N 1 2 345.493 3.761 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)c2nc3ccccc3s2)s1 ZINC000102773206 1036763815 /nfs/dbraw/zinc/76/38/15/1036763815.db2.gz CSJDHNVJSFOOIX-UHFFFAOYSA-N 1 2 345.493 3.761 20 0 EHADLO CCOCCC[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001168447935 1036779668 /nfs/dbraw/zinc/77/96/68/1036779668.db2.gz KXRLFLJNLIMZRT-MRXNPFEDSA-N 1 2 327.852 3.693 20 0 EHADLO CCOCCC[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001168447935 1036779682 /nfs/dbraw/zinc/77/96/82/1036779682.db2.gz KXRLFLJNLIMZRT-MRXNPFEDSA-N 1 2 327.852 3.693 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cscn1 ZINC000661417756 1036795099 /nfs/dbraw/zinc/79/50/99/1036795099.db2.gz CTHIQBGFLDEUFA-ABAIWWIYSA-N 1 2 337.514 3.759 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791872 1036802314 /nfs/dbraw/zinc/80/23/14/1036802314.db2.gz VJIXVRVLFDGQOK-CZUORRHYSA-N 1 2 338.904 3.663 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464791872 1036802330 /nfs/dbraw/zinc/80/23/30/1036802330.db2.gz VJIXVRVLFDGQOK-CZUORRHYSA-N 1 2 338.904 3.663 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(Br)c1 ZINC000464812261 1036819494 /nfs/dbraw/zinc/81/94/94/1036819494.db2.gz FBERPMXHIGLJAJ-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)c(Br)c1 ZINC000464812261 1036819522 /nfs/dbraw/zinc/81/95/22/1036819522.db2.gz FBERPMXHIGLJAJ-QWHCGFSZSA-N 1 2 339.277 3.816 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000177573169 1036879465 /nfs/dbraw/zinc/87/94/65/1036879465.db2.gz RBDLIMBDAAJMLY-UHFFFAOYSA-N 1 2 339.826 3.823 20 0 EHADLO Cc1cccc2[nH]cc(CC(=O)NCc3ccccc3-n3cc[nH+]c3)c21 ZINC000103520886 1036919062 /nfs/dbraw/zinc/91/90/62/1036919062.db2.gz KHERZLUOALGECH-UHFFFAOYSA-N 1 2 344.418 3.521 20 0 EHADLO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1SC ZINC000539576547 1036941627 /nfs/dbraw/zinc/94/16/27/1036941627.db2.gz FQBQBSWRMJWPIQ-SFHVURJKSA-N 1 2 343.492 3.861 20 0 EHADLO COc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1SC ZINC000539576547 1036941649 /nfs/dbraw/zinc/94/16/49/1036941649.db2.gz FQBQBSWRMJWPIQ-SFHVURJKSA-N 1 2 343.492 3.861 20 0 EHADLO COc1ccc(F)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127266247 1036953107 /nfs/dbraw/zinc/95/31/07/1036953107.db2.gz XGOVKKWODCSSJT-MRXNPFEDSA-N 1 2 336.794 3.729 20 0 EHADLO c1cc(C2CC2)c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000350181459 1036958482 /nfs/dbraw/zinc/95/84/82/1036958482.db2.gz IYPLIMFKMJCWNO-GXTWGEPZSA-N 1 2 331.441 3.601 20 0 EHADLO c1cc(C2CC2)c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000350181459 1036958495 /nfs/dbraw/zinc/95/84/95/1036958495.db2.gz IYPLIMFKMJCWNO-GXTWGEPZSA-N 1 2 331.441 3.601 20 0 EHADLO CCOc1ccc([C@H]([NH2+]Cc2cn(CC)nn2)c2ccccc2)cc1 ZINC000892634185 1036976091 /nfs/dbraw/zinc/97/60/91/1036976091.db2.gz PATMQYBIGRQSDW-HXUWFJFHSA-N 1 2 336.439 3.576 20 0 EHADLO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2Cl)nc1C)c1ccco1 ZINC000655741726 1037004062 /nfs/dbraw/zinc/00/40/62/1037004062.db2.gz BQUFIUWULUVURD-MRXNPFEDSA-N 1 2 345.830 3.904 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1CC2(C1)CCCCC2 ZINC000666420924 1037006132 /nfs/dbraw/zinc/00/61/32/1037006132.db2.gz RKHNHXUWZBWLKX-UHFFFAOYSA-N 1 2 327.472 3.527 20 0 EHADLO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590727727 1037008990 /nfs/dbraw/zinc/00/89/90/1037008990.db2.gz GFOCQYFYNZSAHB-CYBMUJFWSA-N 1 2 342.830 3.506 20 0 EHADLO CC(C)(F)CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666429679 1037012938 /nfs/dbraw/zinc/01/29/38/1037012938.db2.gz KAIWGRZQMXYGPW-SJORKVTESA-N 1 2 344.434 3.549 20 0 EHADLO CC(C)(F)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666429675 1037013585 /nfs/dbraw/zinc/01/35/85/1037013585.db2.gz KAIWGRZQMXYGPW-DLBZAZTESA-N 1 2 344.434 3.549 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(C)[nH]1 ZINC000153057122 1037017597 /nfs/dbraw/zinc/01/75/97/1037017597.db2.gz ZLGFXSATJZIJKN-UHFFFAOYSA-N 1 2 325.456 3.699 20 0 EHADLO C[NH+](C)C[C@@H](NCc1[nH]nc2ccccc21)c1ccc(Cl)cc1 ZINC000669999589 1037030674 /nfs/dbraw/zinc/03/06/74/1037030674.db2.gz YDXMWHCRCZMSHU-GOSISDBHSA-N 1 2 328.847 3.609 20 0 EHADLO O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733206 1037035599 /nfs/dbraw/zinc/03/55/99/1037035599.db2.gz SGOKZLKXQKXYJE-INIZCTEOSA-N 1 2 344.418 3.995 20 0 EHADLO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733657 1037035871 /nfs/dbraw/zinc/03/58/71/1037035871.db2.gz SLZKFZNFGHZKDW-ZCYBBYNQSA-N 1 2 327.472 3.653 20 0 EHADLO CC(C)C[N@@H+](Cc1ccccc1F)Cc1nc(N)c2ccccc2n1 ZINC000542099984 1037059207 /nfs/dbraw/zinc/05/92/07/1037059207.db2.gz UPQNAUWPJDKGAL-UHFFFAOYSA-N 1 2 338.430 3.840 20 0 EHADLO CC(C)C[N@H+](Cc1ccccc1F)Cc1nc(N)c2ccccc2n1 ZINC000542099984 1037059226 /nfs/dbraw/zinc/05/92/26/1037059226.db2.gz UPQNAUWPJDKGAL-UHFFFAOYSA-N 1 2 338.430 3.840 20 0 EHADLO CC[C@H](C)CN(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178554310 1037060577 /nfs/dbraw/zinc/06/05/77/1037060577.db2.gz UNVIVZHOTGXROM-INIZCTEOSA-N 1 2 328.460 3.509 20 0 EHADLO CO[C@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000666455610 1037072316 /nfs/dbraw/zinc/07/23/16/1037072316.db2.gz UKYCPGLCYQPVMX-YJBOKZPZSA-N 1 2 339.439 3.640 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCc4cccc(Cl)c43)[nH+]c12 ZINC000590835197 1037073528 /nfs/dbraw/zinc/07/35/28/1037073528.db2.gz LJYIPVNUVIMOAO-UHFFFAOYSA-N 1 2 339.826 3.818 20 0 EHADLO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000636435788 1037074793 /nfs/dbraw/zinc/07/47/93/1037074793.db2.gz BCHVEBIGVBWTIF-LBPRGKRZSA-N 1 2 337.345 3.720 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000590845462 1037081247 /nfs/dbraw/zinc/08/12/47/1037081247.db2.gz QSENNCHWQDXFSU-CJNGLKHVSA-N 1 2 332.835 3.644 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853351 1037085567 /nfs/dbraw/zinc/08/55/67/1037085567.db2.gz QBFWSXNHPZOBNS-WNRNVDISSA-N 1 2 330.476 3.589 20 0 EHADLO COc1cccc2c1CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC000542174707 1037135657 /nfs/dbraw/zinc/13/56/57/1037135657.db2.gz MMOKCJRLCJENQG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO COc1cccc2c1CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C2 ZINC000542174707 1037135669 /nfs/dbraw/zinc/13/56/69/1037135669.db2.gz MMOKCJRLCJENQG-UHFFFAOYSA-N 1 2 347.842 3.924 20 0 EHADLO Brc1ccsc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671193400 1037140339 /nfs/dbraw/zinc/14/03/39/1037140339.db2.gz MIXQJWKVVNIBQN-UHFFFAOYSA-N 1 2 336.258 3.719 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000105062633 1037144138 /nfs/dbraw/zinc/14/41/38/1037144138.db2.gz CAXUHYGGEOPRDW-QGZVFWFLSA-N 1 2 346.862 3.767 20 0 EHADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493266950 1037187769 /nfs/dbraw/zinc/18/77/69/1037187769.db2.gz WSVHUNWJUYBUFS-AATRIKPKSA-N 1 2 339.317 3.869 20 0 EHADLO CN(C)c1[nH+]ccc2cc(NC(=O)/C=C/C3(C)CCOCC3)ccc21 ZINC000493251129 1037200129 /nfs/dbraw/zinc/20/01/29/1037200129.db2.gz FGOQNJFOLDASFS-SOFGYWHQSA-N 1 2 339.439 3.612 20 0 EHADLO Cc1cccc(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591251552 1037268329 /nfs/dbraw/zinc/26/83/29/1037268329.db2.gz GAZSBFMONPUVCB-KRWDZBQOSA-N 1 2 338.451 3.569 20 0 EHADLO COCc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187286446 1037285920 /nfs/dbraw/zinc/28/59/20/1037285920.db2.gz ZWDXHLCSBHCRIE-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO COCc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187286446 1037285930 /nfs/dbraw/zinc/28/59/30/1037285930.db2.gz ZWDXHLCSBHCRIE-LJQANCHMSA-N 1 2 333.378 3.685 20 0 EHADLO COc1c(Br)cccc1C[NH2+]Cc1ncc(C)s1 ZINC000187268179 1037292799 /nfs/dbraw/zinc/29/27/99/1037292799.db2.gz NFWGGUPGXQBRKQ-UHFFFAOYSA-N 1 2 327.247 3.512 20 0 EHADLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000106136222 1037305643 /nfs/dbraw/zinc/30/56/43/1037305643.db2.gz SKBFQCHFZXMLGI-GJZGRUSLSA-N 1 2 346.450 3.772 20 0 EHADLO Cc1[nH]c(CNc2cccc(-c3nnc4n3CCCCC4)c2)[nH+]c1C ZINC000573104881 1037307493 /nfs/dbraw/zinc/30/74/93/1037307493.db2.gz VKSVHGZVQJVDOA-UHFFFAOYSA-N 1 2 336.443 3.624 20 0 EHADLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000106141929 1037309428 /nfs/dbraw/zinc/30/94/28/1037309428.db2.gz JCLXBGMXFXEYNI-OAHLLOKOSA-N 1 2 346.906 3.569 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000414394447 1037311022 /nfs/dbraw/zinc/31/10/22/1037311022.db2.gz IMNBNFMKBSQOTP-VQIMIIECSA-N 1 2 325.456 3.618 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cn1 ZINC000414394447 1037311030 /nfs/dbraw/zinc/31/10/30/1037311030.db2.gz IMNBNFMKBSQOTP-VQIMIIECSA-N 1 2 325.456 3.618 20 0 EHADLO COc1ccc2nc(C[N@H+](Cc3ccccn3)C3CC3)sc2c1 ZINC000187396855 1037335637 /nfs/dbraw/zinc/33/56/37/1037335637.db2.gz MOHJAAUBFXSGMJ-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO COc1ccc2nc(C[N@@H+](Cc3ccccn3)C3CC3)sc2c1 ZINC000187396855 1037335652 /nfs/dbraw/zinc/33/56/52/1037335652.db2.gz MOHJAAUBFXSGMJ-UHFFFAOYSA-N 1 2 325.437 3.865 20 0 EHADLO Cc1csc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000301143103 1037359419 /nfs/dbraw/zinc/35/94/19/1037359419.db2.gz DFNZYGIQNRSJBT-LBPRGKRZSA-N 1 2 336.424 3.754 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401185 1037371203 /nfs/dbraw/zinc/37/12/03/1037371203.db2.gz VSIWMVOZXCKLIG-XJKSGUPXSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414401185 1037371209 /nfs/dbraw/zinc/37/12/09/1037371209.db2.gz VSIWMVOZXCKLIG-XJKSGUPXSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000088549462 1037385523 /nfs/dbraw/zinc/38/55/23/1037385523.db2.gz RIXBFDVTGQZEAH-CQSZACIVSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000088549462 1037385537 /nfs/dbraw/zinc/38/55/37/1037385537.db2.gz RIXBFDVTGQZEAH-CQSZACIVSA-N 1 2 330.403 3.603 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc(-c2ccccc2)ns1 ZINC000462791028 1037399877 /nfs/dbraw/zinc/39/98/77/1037399877.db2.gz QDNZKCWBWQACAL-OAHLLOKOSA-N 1 2 330.501 3.694 20 0 EHADLO C[C@@H]1CCCC[N@H+]1CCCCNc1nc(-c2ccccc2)ns1 ZINC000462791028 1037399895 /nfs/dbraw/zinc/39/98/95/1037399895.db2.gz QDNZKCWBWQACAL-OAHLLOKOSA-N 1 2 330.501 3.694 20 0 EHADLO O=C(CCCCCc1ccc(O)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000591451218 1037411541 /nfs/dbraw/zinc/41/15/41/1037411541.db2.gz XUCFYDQUKBPPEV-UHFFFAOYSA-N 1 2 341.455 3.555 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000177189309 1037412988 /nfs/dbraw/zinc/41/29/88/1037412988.db2.gz BBPCVQHSWMRJOI-DLBZAZTESA-N 1 2 343.496 3.829 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000177189309 1037412996 /nfs/dbraw/zinc/41/29/96/1037412996.db2.gz BBPCVQHSWMRJOI-DLBZAZTESA-N 1 2 343.496 3.829 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1ccn3cc[nH+]c3c1)CC2 ZINC000187595836 1037419469 /nfs/dbraw/zinc/41/94/69/1037419469.db2.gz XXASSNJROULOHA-LJQANCHMSA-N 1 2 348.450 3.944 20 0 EHADLO C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1c(F)cccc1Cl ZINC000491361111 1037419742 /nfs/dbraw/zinc/41/97/42/1037419742.db2.gz OZWRWBGNPVCYJW-CYBMUJFWSA-N 1 2 344.821 3.970 20 0 EHADLO C[C@H](CC(=O)N(C)c1nc2ccc(Cl)cc2s1)n1cc[nH+]c1 ZINC000573254120 1037432244 /nfs/dbraw/zinc/43/22/44/1037432244.db2.gz QZXLSIGTZCJZTP-SNVBAGLBSA-N 1 2 334.832 3.760 20 0 EHADLO COC(=O)c1sccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000892669022 1037499087 /nfs/dbraw/zinc/49/90/87/1037499087.db2.gz UPDYOANAZRBKHY-CQSZACIVSA-N 1 2 335.400 3.677 20 0 EHADLO CC(C)Oc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491480861 1037502291 /nfs/dbraw/zinc/50/22/91/1037502291.db2.gz ZITRMRHLBIMGNO-JEZWAEDTSA-N 1 2 339.439 3.616 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000760844520 1037521924 /nfs/dbraw/zinc/52/19/24/1037521924.db2.gz UTZWFQQTYSTMKY-HIFRSBDPSA-N 1 2 349.475 3.677 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000760844520 1037521935 /nfs/dbraw/zinc/52/19/35/1037521935.db2.gz UTZWFQQTYSTMKY-HIFRSBDPSA-N 1 2 349.475 3.677 20 0 EHADLO COc1ccc2nc(C[N@H+]3CC=C(c4ccc(C)cc4)CC3)[nH]c2n1 ZINC000760852856 1037535688 /nfs/dbraw/zinc/53/56/88/1037535688.db2.gz JMUJFXRORBRKHA-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO COc1ccc2nc(C[N@@H+]3CC=C(c4ccc(C)cc4)CC3)[nH]c2n1 ZINC000760852856 1037535698 /nfs/dbraw/zinc/53/56/98/1037535698.db2.gz JMUJFXRORBRKHA-UHFFFAOYSA-N 1 2 334.423 3.564 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000532492941 1037538578 /nfs/dbraw/zinc/53/85/78/1037538578.db2.gz ZTQWNLDDXGNCMM-HNNXBMFYSA-N 1 2 345.443 3.547 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000532492941 1037538589 /nfs/dbraw/zinc/53/85/89/1037538589.db2.gz ZTQWNLDDXGNCMM-HNNXBMFYSA-N 1 2 345.443 3.547 20 0 EHADLO C[C@@H](C1CCCCC1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000669857212 1037561643 /nfs/dbraw/zinc/56/16/43/1037561643.db2.gz BUWGGJCSBDGCAF-INIZCTEOSA-N 1 2 329.488 3.612 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)s1 ZINC000760879325 1037565747 /nfs/dbraw/zinc/56/57/47/1037565747.db2.gz CQIJJOMUYJNFDL-VXGBXAGGSA-N 1 2 327.457 3.752 20 0 EHADLO CC(C)(C)OCc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000084336363 1037579643 /nfs/dbraw/zinc/57/96/43/1037579643.db2.gz BPUAALAFWDKMGC-UHFFFAOYSA-N 1 2 342.443 3.630 20 0 EHADLO COc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000103191598 1037589158 /nfs/dbraw/zinc/58/91/58/1037589158.db2.gz QDIFLVOTXKZZMI-INIZCTEOSA-N 1 2 349.434 3.691 20 0 EHADLO C[C@H]1CCc2ccccc2N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000573526534 1037596532 /nfs/dbraw/zinc/59/65/32/1037596532.db2.gz JKHJZDCLKPKWDH-INIZCTEOSA-N 1 2 331.419 3.913 20 0 EHADLO CCCOc1cc(C)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105355155 1037601278 /nfs/dbraw/zinc/60/12/78/1037601278.db2.gz HZKLFRLXFCOXQJ-UHFFFAOYSA-N 1 2 342.443 3.849 20 0 EHADLO CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462992314 1037625448 /nfs/dbraw/zinc/62/54/48/1037625448.db2.gz LBKABTWMXKTKOD-LSDHHAIUSA-N 1 2 338.442 3.728 20 0 EHADLO CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462992314 1037625461 /nfs/dbraw/zinc/62/54/61/1037625461.db2.gz LBKABTWMXKTKOD-LSDHHAIUSA-N 1 2 338.442 3.728 20 0 EHADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccsc3)n2)ccc1C ZINC000669937491 1037632486 /nfs/dbraw/zinc/63/24/86/1037632486.db2.gz ISOBKTKAPUIZGH-LBPRGKRZSA-N 1 2 329.425 3.966 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000025414864 1037640919 /nfs/dbraw/zinc/64/09/19/1037640919.db2.gz WPIGIBGQVOZWAQ-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000025414864 1037640930 /nfs/dbraw/zinc/64/09/30/1037640930.db2.gz WPIGIBGQVOZWAQ-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)nnn1-c1ccccc1 ZINC000540176371 1037648250 /nfs/dbraw/zinc/64/82/50/1037648250.db2.gz CWYWHSJONRUDQP-KXBFYZLASA-N 1 2 348.450 3.977 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812928 1037655333 /nfs/dbraw/zinc/65/53/33/1037655333.db2.gz CRQLZBKMFUSEKI-GDBMZVCRSA-N 1 2 329.444 3.892 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591812928 1037655346 /nfs/dbraw/zinc/65/53/46/1037655346.db2.gz CRQLZBKMFUSEKI-GDBMZVCRSA-N 1 2 329.444 3.892 20 0 EHADLO COc1cccc(C[C@H](C)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)n1 ZINC000463036717 1037678358 /nfs/dbraw/zinc/67/83/58/1037678358.db2.gz KKFPRAGJWFSHAM-AWEZNQCLSA-N 1 2 336.439 3.936 20 0 EHADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540223395 1037726081 /nfs/dbraw/zinc/72/60/81/1037726081.db2.gz ILYXSRCYEYPTJE-KCXAZCMYSA-N 1 2 338.854 3.777 20 0 EHADLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540223395 1037726099 /nfs/dbraw/zinc/72/60/99/1037726099.db2.gz ILYXSRCYEYPTJE-KCXAZCMYSA-N 1 2 338.854 3.777 20 0 EHADLO CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573733427 1037738585 /nfs/dbraw/zinc/73/85/85/1037738585.db2.gz MEXDFXCFZCUIFX-QUCCMNQESA-N 1 2 339.483 3.949 20 0 EHADLO CC(C)n1cc([C@H](C)NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000491866962 1037744468 /nfs/dbraw/zinc/74/44/68/1037744468.db2.gz MCKZRKDGRLBWQI-FSNWXROXSA-N 1 2 349.438 3.540 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000493993964 1037757348 /nfs/dbraw/zinc/75/73/48/1037757348.db2.gz XBFFSIRLBFQIDU-UHFFFAOYSA-N 1 2 343.496 3.837 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ncc(C3CC3)o2)C2CC2)C1 ZINC000494008535 1037790283 /nfs/dbraw/zinc/79/02/83/1037790283.db2.gz JEWOUIYGEVCOCA-OAHLLOKOSA-N 1 2 347.459 3.526 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ncc(C3CC3)o2)C2CC2)C1 ZINC000494008535 1037790301 /nfs/dbraw/zinc/79/03/01/1037790301.db2.gz JEWOUIYGEVCOCA-OAHLLOKOSA-N 1 2 347.459 3.526 20 0 EHADLO CC[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000651255978 1037802888 /nfs/dbraw/zinc/80/28/88/1037802888.db2.gz PJCRTIJSPRUIKE-PBHICJAKSA-N 1 2 330.407 3.520 20 0 EHADLO CN(CCCn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccccc1 ZINC000573920680 1037803231 /nfs/dbraw/zinc/80/32/31/1037803231.db2.gz UFINSHMTBFGARO-UHFFFAOYSA-N 1 2 334.345 3.977 20 0 EHADLO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1c(F)cccc1F ZINC000540332946 1037806791 /nfs/dbraw/zinc/80/67/91/1037806791.db2.gz UJTIRMRZCQWHOK-NSHDSACASA-N 1 2 338.785 3.585 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1F ZINC000540323811 1037814613 /nfs/dbraw/zinc/81/46/13/1037814613.db2.gz CSSBJLUHDAGUQF-PGBBXINNSA-N 1 2 348.437 3.700 20 0 EHADLO CC(C)c1ccsc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053270213 1037835238 /nfs/dbraw/zinc/83/52/38/1037835238.db2.gz KBHQKMBNMNUZFK-UHFFFAOYSA-N 1 2 334.510 3.721 20 0 EHADLO CC(C)c1ccsc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053270213 1037835259 /nfs/dbraw/zinc/83/52/59/1037835259.db2.gz KBHQKMBNMNUZFK-UHFFFAOYSA-N 1 2 334.510 3.721 20 0 EHADLO O=C(/C=C\c1ccc[nH]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000492010518 1037864774 /nfs/dbraw/zinc/86/47/74/1037864774.db2.gz OYGPGFYUAYEWEN-KHPPLWFESA-N 1 2 332.407 3.866 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378090367 1037878619 /nfs/dbraw/zinc/87/86/19/1037878619.db2.gz UBGSBUQRDUWRQW-CHWSQXEVSA-N 1 2 347.821 3.712 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378090367 1037878633 /nfs/dbraw/zinc/87/86/33/1037878633.db2.gz UBGSBUQRDUWRQW-CHWSQXEVSA-N 1 2 347.821 3.712 20 0 EHADLO O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378090372 1037879399 /nfs/dbraw/zinc/87/93/99/1037879399.db2.gz UBGSBUQRDUWRQW-STQMWFEESA-N 1 2 347.821 3.712 20 0 EHADLO O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378090372 1037879411 /nfs/dbraw/zinc/87/94/11/1037879411.db2.gz UBGSBUQRDUWRQW-STQMWFEESA-N 1 2 347.821 3.712 20 0 EHADLO CC[N@H+](CCSC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000592205234 1037885691 /nfs/dbraw/zinc/88/56/91/1037885691.db2.gz XUWKKMKDWPLDPM-UHFFFAOYSA-N 1 2 328.279 3.510 20 0 EHADLO CC[N@@H+](CCSC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000592205234 1037885708 /nfs/dbraw/zinc/88/57/08/1037885708.db2.gz XUWKKMKDWPLDPM-UHFFFAOYSA-N 1 2 328.279 3.510 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC000182993506 1037926946 /nfs/dbraw/zinc/92/69/46/1037926946.db2.gz QNFQFEPFNKJJRG-UHFFFAOYSA-N 1 2 339.505 3.756 20 0 EHADLO CC(C)(C)c1ncc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000492065119 1037932045 /nfs/dbraw/zinc/93/20/45/1037932045.db2.gz GVMHPMQRTRIHFW-PLNGDYQASA-N 1 2 344.484 3.583 20 0 EHADLO CC(C)(C)c1ncc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000492065119 1037932055 /nfs/dbraw/zinc/93/20/55/1037932055.db2.gz GVMHPMQRTRIHFW-PLNGDYQASA-N 1 2 344.484 3.583 20 0 EHADLO Cc1cc(Cl)cc(C)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000549397391 1037998251 /nfs/dbraw/zinc/99/82/51/1037998251.db2.gz FSIRQDFTHMURRB-UHFFFAOYSA-N 1 2 331.847 3.801 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(C)c2)c1C ZINC000459218098 1038006463 /nfs/dbraw/zinc/00/64/63/1038006463.db2.gz QRAYHHFDGRWJCT-INIZCTEOSA-N 1 2 341.455 3.918 20 0 EHADLO Cc1cccc(OC[C@@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000040313411 1038008826 /nfs/dbraw/zinc/00/88/26/1038008826.db2.gz ZRZWICCUJIIJCN-KRWDZBQOSA-N 1 2 341.407 3.623 20 0 EHADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000540491439 1038010201 /nfs/dbraw/zinc/01/02/01/1038010201.db2.gz KNJPRQGITQGHIG-WBVHZDCISA-N 1 2 329.350 3.794 20 0 EHADLO C/C=C(/C=C\C(=O)Nc1ccccc1OCCn1cc[nH+]c1)CC ZINC000492133017 1038019655 /nfs/dbraw/zinc/01/96/55/1038019655.db2.gz IAKIFDCTHMSOJR-ODVOOVLWSA-N 1 2 325.412 3.813 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000592660697 1038083094 /nfs/dbraw/zinc/08/30/94/1038083094.db2.gz ILKMXDGAFFLHMU-HXUWFJFHSA-N 1 2 331.419 3.657 20 0 EHADLO COc1ccc([C@H](NC(=O)NCc2c[nH+]c(C)cc2C)C2CC2)cc1 ZINC000454204869 1038099042 /nfs/dbraw/zinc/09/90/42/1038099042.db2.gz PSYRMMDSISLNRG-LJQANCHMSA-N 1 2 339.439 3.658 20 0 EHADLO CCSc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000124114011 1038137709 /nfs/dbraw/zinc/13/77/09/1038137709.db2.gz HUYCRRNJRONENR-RHSMWYFYSA-N 1 2 329.469 3.718 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000124171650 1038145490 /nfs/dbraw/zinc/14/54/90/1038145490.db2.gz CVBKSCLYONOFDK-UHFFFAOYSA-N 1 2 347.821 3.794 20 0 EHADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cccc1F ZINC000124355929 1038172473 /nfs/dbraw/zinc/17/24/73/1038172473.db2.gz LJNRQSUHZOGWFQ-UHFFFAOYSA-N 1 2 332.394 3.689 20 0 EHADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cccc1F ZINC000124355929 1038172477 /nfs/dbraw/zinc/17/24/77/1038172477.db2.gz LJNRQSUHZOGWFQ-UHFFFAOYSA-N 1 2 332.394 3.689 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccco1 ZINC000180459643 1038180333 /nfs/dbraw/zinc/18/03/33/1038180333.db2.gz WFQRDUAOJJPWOQ-OAHLLOKOSA-N 1 2 334.441 3.531 20 0 EHADLO CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000124987457 1038261815 /nfs/dbraw/zinc/26/18/15/1038261815.db2.gz JRSWFOSGITZQGP-GOSISDBHSA-N 1 2 341.411 3.556 20 0 EHADLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c(C)[nH]1 ZINC000125060296 1038274111 /nfs/dbraw/zinc/27/41/11/1038274111.db2.gz ULNMAJYOIDQELA-UHFFFAOYSA-N 1 2 348.393 3.636 20 0 EHADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000043182071 1038292238 /nfs/dbraw/zinc/29/22/38/1038292238.db2.gz BJHZAOFTLSAJJF-ZDUSSCGKSA-N 1 2 332.835 3.597 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2c(c1)CCC2 ZINC000043390015 1038312748 /nfs/dbraw/zinc/31/27/48/1038312748.db2.gz SCFXQKXZKRAFRT-UHFFFAOYSA-N 1 2 346.434 3.742 20 0 EHADLO Cc1cccc2c(CC(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c[nH]c21 ZINC000125490725 1038333947 /nfs/dbraw/zinc/33/39/47/1038333947.db2.gz IASVIWRBGXLSCG-UHFFFAOYSA-N 1 2 348.381 3.982 20 0 EHADLO O=C(Nc1nccs1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378266402 1038345949 /nfs/dbraw/zinc/34/59/49/1038345949.db2.gz BGXAFCZKOICLSC-UHFFFAOYSA-N 1 2 337.408 3.702 20 0 EHADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000924669069 1038442544 /nfs/dbraw/zinc/44/25/44/1038442544.db2.gz XVNFFUMDHLMCJL-VIFPVBQESA-N 1 2 330.329 3.615 20 0 EHADLO COc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1Cl ZINC000659942696 1038446437 /nfs/dbraw/zinc/44/64/37/1038446437.db2.gz NMUNJJTXJSNZKO-GFCCVEGCSA-N 1 2 337.769 3.892 20 0 EHADLO COc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1Cl ZINC000659942696 1038446440 /nfs/dbraw/zinc/44/64/40/1038446440.db2.gz NMUNJJTXJSNZKO-GFCCVEGCSA-N 1 2 337.769 3.892 20 0 EHADLO Cc1ccc(C(C)(C)CC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000339147418 1038465099 /nfs/dbraw/zinc/46/50/99/1038465099.db2.gz FQLUHESCYFIRMS-UHFFFAOYSA-N 1 2 325.456 3.512 20 0 EHADLO CCC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CCO1 ZINC000538728836 1038495697 /nfs/dbraw/zinc/49/56/97/1038495697.db2.gz BDVAQLLPUAZJBZ-INIZCTEOSA-N 1 2 349.425 3.768 20 0 EHADLO CCC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CCO1 ZINC000538728836 1038495703 /nfs/dbraw/zinc/49/57/03/1038495703.db2.gz BDVAQLLPUAZJBZ-INIZCTEOSA-N 1 2 349.425 3.768 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(-c2ccoc2)n1 ZINC000108257313 1038521354 /nfs/dbraw/zinc/52/13/54/1038521354.db2.gz IGOMJPXOHXIYKB-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO COc1ccc2ccc(NC3CCC(O)(c4cccnc4)CC3)[nH+]c2c1 ZINC000893230564 1038601792 /nfs/dbraw/zinc/60/17/92/1038601792.db2.gz BUTGHKDSGABFBP-UHFFFAOYSA-N 1 2 349.434 3.881 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557687 1038616549 /nfs/dbraw/zinc/61/65/49/1038616549.db2.gz UBRJLPQUSDYQIQ-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557687 1038616551 /nfs/dbraw/zinc/61/65/51/1038616551.db2.gz UBRJLPQUSDYQIQ-CYBMUJFWSA-N 1 2 328.387 3.660 20 0 EHADLO CC1(C)CCc2sc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc21 ZINC000416403731 1038632728 /nfs/dbraw/zinc/63/27/28/1038632728.db2.gz OFNRNVHNCFKRHV-HNNXBMFYSA-N 1 2 328.481 3.940 20 0 EHADLO CC1(C)CCc2sc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc21 ZINC000416403731 1038632734 /nfs/dbraw/zinc/63/27/34/1038632734.db2.gz OFNRNVHNCFKRHV-HNNXBMFYSA-N 1 2 328.481 3.940 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)on1 ZINC000659995341 1038649482 /nfs/dbraw/zinc/64/94/82/1038649482.db2.gz BYZNMRLQQNTAJB-AWEZNQCLSA-N 1 2 337.217 3.783 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2Br)on1 ZINC000659995341 1038649484 /nfs/dbraw/zinc/64/94/84/1038649484.db2.gz BYZNMRLQQNTAJB-AWEZNQCLSA-N 1 2 337.217 3.783 20 0 EHADLO CC1(C)C[C@H]([N@@H+]2CCc3c(F)cc(Br)cc3C2)CO1 ZINC000660000844 1038663864 /nfs/dbraw/zinc/66/38/64/1038663864.db2.gz IRJXKWHDMMQUES-LBPRGKRZSA-N 1 2 328.225 3.514 20 0 EHADLO CC1(C)C[C@H]([N@H+]2CCc3c(F)cc(Br)cc3C2)CO1 ZINC000660000844 1038663868 /nfs/dbraw/zinc/66/38/68/1038663868.db2.gz IRJXKWHDMMQUES-LBPRGKRZSA-N 1 2 328.225 3.514 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000116532322 1038668431 /nfs/dbraw/zinc/66/84/31/1038668431.db2.gz QYGZXUDQJGYTDR-MRXNPFEDSA-N 1 2 346.519 3.620 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038785002 /nfs/dbraw/zinc/78/50/02/1038785002.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 1 2 337.939 3.653 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038785018 /nfs/dbraw/zinc/78/50/18/1038785018.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 1 2 337.939 3.653 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000667567312 1038786022 /nfs/dbraw/zinc/78/60/22/1038786022.db2.gz VOVFWIPVKDZOEB-CRAIPNDOSA-N 1 2 329.444 3.551 20 0 EHADLO COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000667567312 1038786038 /nfs/dbraw/zinc/78/60/38/1038786038.db2.gz VOVFWIPVKDZOEB-CRAIPNDOSA-N 1 2 329.444 3.551 20 0 EHADLO CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000345030762 1038809811 /nfs/dbraw/zinc/80/98/11/1038809811.db2.gz YMXZNEPYMNIIQG-OAHLLOKOSA-N 1 2 329.419 3.844 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@](C)(C(F)F)O1 ZINC000668823276 1038851693 /nfs/dbraw/zinc/85/16/93/1038851693.db2.gz IBSRIDWAFLYHSS-BZNIZROVSA-N 1 2 335.341 3.575 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@](C)(C(F)F)O1 ZINC000668823276 1038851721 /nfs/dbraw/zinc/85/17/21/1038851721.db2.gz IBSRIDWAFLYHSS-BZNIZROVSA-N 1 2 335.341 3.575 20 0 EHADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000539377925 1038866667 /nfs/dbraw/zinc/86/66/67/1038866667.db2.gz ZEQKSQNAQPNKAR-STQMWFEESA-N 1 2 326.843 3.921 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@](C)(C(F)F)O1 ZINC000668821849 1038876886 /nfs/dbraw/zinc/87/68/86/1038876886.db2.gz MMENHIUGESDYTO-KZULUSFZSA-N 1 2 341.398 3.576 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C[C@](C)(C(F)F)O1 ZINC000668821849 1038876908 /nfs/dbraw/zinc/87/69/08/1038876908.db2.gz MMENHIUGESDYTO-KZULUSFZSA-N 1 2 341.398 3.576 20 0 EHADLO CC(C)C1(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000462216306 1038876926 /nfs/dbraw/zinc/87/69/26/1038876926.db2.gz UXUBRUWARQISDD-HNNXBMFYSA-N 1 2 335.517 3.573 20 0 EHADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000178366305 1038938797 /nfs/dbraw/zinc/93/87/97/1038938797.db2.gz VVWPMSHNXUZNBE-ICSRJNTNSA-N 1 2 343.492 3.733 20 0 EHADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000178366305 1038938814 /nfs/dbraw/zinc/93/88/14/1038938814.db2.gz VVWPMSHNXUZNBE-ICSRJNTNSA-N 1 2 343.492 3.733 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)C1(C(F)(F)F)CCCCC1 ZINC000668896321 1038947093 /nfs/dbraw/zinc/94/70/93/1038947093.db2.gz TZQSNAYBQAIBLJ-UHFFFAOYSA-N 1 2 329.366 3.513 20 0 EHADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1Cc2ccccc2C1 ZINC000155519353 1038982654 /nfs/dbraw/zinc/98/26/54/1038982654.db2.gz FIWCLUVOAQVZKD-UONOGXRCSA-N 1 2 328.843 3.922 20 0 EHADLO C[C@]12CSC[C@H]1C[N@H+](Cc1cc(Br)cnc1Cl)C2 ZINC000898419664 1039016166 /nfs/dbraw/zinc/01/61/66/1039016166.db2.gz GFNDZCNEAZYZJB-MFKMUULPSA-N 1 2 347.709 3.682 20 0 EHADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(Br)cnc1Cl)C2 ZINC000898419664 1039016182 /nfs/dbraw/zinc/01/61/82/1039016182.db2.gz GFNDZCNEAZYZJB-MFKMUULPSA-N 1 2 347.709 3.682 20 0 EHADLO O=C(N[C@H](C1CCC1)C1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000645785632 1039027519 /nfs/dbraw/zinc/02/75/19/1039027519.db2.gz MCQCKUPGCQMAIR-SJORKVTESA-N 1 2 330.476 3.658 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112865945 1039034416 /nfs/dbraw/zinc/03/44/16/1039034416.db2.gz BIJFWGTYSWHVHJ-CABCVRRESA-N 1 2 339.345 3.893 20 0 EHADLO CCOc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c(C)c1 ZINC000667591794 1039037916 /nfs/dbraw/zinc/03/79/16/1039037916.db2.gz BGHAGTWCUWCEAQ-UHFFFAOYSA-N 1 2 341.377 3.785 20 0 EHADLO CCOc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c(C)c1 ZINC000667591794 1039037932 /nfs/dbraw/zinc/03/79/32/1039037932.db2.gz BGHAGTWCUWCEAQ-UHFFFAOYSA-N 1 2 341.377 3.785 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N2CC(C)(C)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000416800122 1039045473 /nfs/dbraw/zinc/04/54/73/1039045473.db2.gz FJSFOAKHRXLJFF-HOTGVXAUSA-N 1 2 345.487 3.732 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000554211091 1039046911 /nfs/dbraw/zinc/04/69/11/1039046911.db2.gz SCBPBHYGFTYTBU-XOBRGWDASA-N 1 2 340.492 3.935 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000554211091 1039046924 /nfs/dbraw/zinc/04/69/24/1039046924.db2.gz SCBPBHYGFTYTBU-XOBRGWDASA-N 1 2 340.492 3.935 20 0 EHADLO CC(C)Cc1cccc([C@@H](C)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000552165766 1039048267 /nfs/dbraw/zinc/04/82/67/1039048267.db2.gz DYKNTARSVSTGNR-QGZVFWFLSA-N 1 2 327.472 3.782 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(C4CCCC4)C3)cn2c1 ZINC000477919507 1039049533 /nfs/dbraw/zinc/04/95/33/1039049533.db2.gz DHPLHAKEMMVZTO-UHFFFAOYSA-N 1 2 343.496 3.525 20 0 EHADLO Cc1ccc([C@H]([NH2+][C@H]2CCCNC2=O)c2ccc(F)cc2Cl)cc1 ZINC000480029754 1039056630 /nfs/dbraw/zinc/05/66/30/1039056630.db2.gz MJWWMWTTXZWLPE-ROUUACIJSA-N 1 2 346.833 3.745 20 0 EHADLO C[C@H](c1ccc(Cl)cc1Cl)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512408679 1039059829 /nfs/dbraw/zinc/05/98/29/1039059829.db2.gz JHYLNCWTVGSEIG-UMVBOHGHSA-N 1 2 343.298 3.849 20 0 EHADLO C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccs1 ZINC000552229817 1039088629 /nfs/dbraw/zinc/08/86/29/1039088629.db2.gz XSMKGYDDSAAYFG-KKUMJFAQSA-N 1 2 329.469 3.786 20 0 EHADLO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)c(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898469752 1039100425 /nfs/dbraw/zinc/10/04/25/1039100425.db2.gz DRNRLXWEPHLJIT-LGRKWKCASA-N 1 2 348.359 3.935 20 0 EHADLO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)c(F)c2)C[C@H](C)N1CC(F)(F)F ZINC000898469752 1039100430 /nfs/dbraw/zinc/10/04/30/1039100430.db2.gz DRNRLXWEPHLJIT-LGRKWKCASA-N 1 2 348.359 3.935 20 0 EHADLO Clc1ccc2ccc(NC3CCN(c4cccc[nH+]4)CC3)nc2c1 ZINC000480106257 1039159942 /nfs/dbraw/zinc/15/99/42/1039159942.db2.gz AKTWPNIPJJNSOB-UHFFFAOYSA-N 1 2 338.842 3.786 20 0 EHADLO CCc1cc(OCc2cc(=O)n3ccc(C)cc3n2)c2ccccc2[nH+]1 ZINC000552303315 1039172525 /nfs/dbraw/zinc/17/25/25/1039172525.db2.gz WDAQJNZNGCKNRG-UHFFFAOYSA-N 1 2 345.402 3.693 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(CCC(C)C)no2)c(C)c1OC ZINC000554291111 1039177580 /nfs/dbraw/zinc/17/75/80/1039177580.db2.gz JCTLIHYDWYHJJI-CQSZACIVSA-N 1 2 347.459 3.835 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512449935 1039192968 /nfs/dbraw/zinc/19/29/68/1039192968.db2.gz MRDLDMXFYCLTGK-VNHYZAJKSA-N 1 2 343.298 3.849 20 0 EHADLO Fc1cc(C2CC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000488488109 1039224912 /nfs/dbraw/zinc/22/49/12/1039224912.db2.gz QIRACYZKTHLYBT-UHFFFAOYSA-N 1 2 344.459 3.658 20 0 EHADLO Fc1cc(C2CC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000488488109 1039224919 /nfs/dbraw/zinc/22/49/19/1039224919.db2.gz QIRACYZKTHLYBT-UHFFFAOYSA-N 1 2 344.459 3.658 20 0 EHADLO CC(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343857139 1039243373 /nfs/dbraw/zinc/24/33/73/1039243373.db2.gz LBFXUBZUOKDBMB-UHFFFAOYSA-N 1 2 330.815 3.857 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651415816 1039303340 /nfs/dbraw/zinc/30/33/40/1039303340.db2.gz OAPJFCNMQSWOLK-PBHICJAKSA-N 1 2 341.455 3.663 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000432820866 1039412115 /nfs/dbraw/zinc/41/21/15/1039412115.db2.gz UJHSEGYNXJCHER-INIZCTEOSA-N 1 2 327.476 3.505 20 0 EHADLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000432820866 1039412122 /nfs/dbraw/zinc/41/21/22/1039412122.db2.gz UJHSEGYNXJCHER-INIZCTEOSA-N 1 2 327.476 3.505 20 0 EHADLO CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nn1)c1ccccc1OC ZINC000906287266 1039451983 /nfs/dbraw/zinc/45/19/83/1039451983.db2.gz KSKSYFQHYGGXCP-IBGZPJMESA-N 1 2 336.439 3.825 20 0 EHADLO FC1(c2ccc(Cl)cc2)CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906298744 1039456968 /nfs/dbraw/zinc/45/69/68/1039456968.db2.gz LGMFJZLIERPTIN-UHFFFAOYSA-N 1 2 334.826 3.727 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718654 1039458545 /nfs/dbraw/zinc/45/85/45/1039458545.db2.gz FFKZSMSWFNSCFU-BOFPYLFWSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718654 1039458559 /nfs/dbraw/zinc/45/85/59/1039458559.db2.gz FFKZSMSWFNSCFU-BOFPYLFWSA-N 1 2 338.442 3.899 20 0 EHADLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543507 1039461373 /nfs/dbraw/zinc/46/13/73/1039461373.db2.gz HAYCLOOKXMLRSB-DJIMGWMZSA-N 1 2 339.443 3.511 20 0 EHADLO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nn(C)cc1Br ZINC000432832924 1039500689 /nfs/dbraw/zinc/50/06/89/1039500689.db2.gz ADTRHBKMJQXKAI-CQSZACIVSA-N 1 2 336.277 3.636 20 0 EHADLO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nn(C)cc1Br ZINC000432832924 1039500700 /nfs/dbraw/zinc/50/07/00/1039500700.db2.gz ADTRHBKMJQXKAI-CQSZACIVSA-N 1 2 336.277 3.636 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nn(C)cc2Br)cc1 ZINC000432832982 1039501307 /nfs/dbraw/zinc/50/13/07/1039501307.db2.gz ALKQLRKMHNCJHQ-CYBMUJFWSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nn(C)cc2Br)cc1 ZINC000432832982 1039501326 /nfs/dbraw/zinc/50/13/26/1039501326.db2.gz ALKQLRKMHNCJHQ-CYBMUJFWSA-N 1 2 336.277 3.554 20 0 EHADLO Cc1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c(C)c[nH+]1 ZINC000554597097 1039523137 /nfs/dbraw/zinc/52/31/37/1039523137.db2.gz MKFTZDQWCYICIJ-UHFFFAOYSA-N 1 2 345.374 3.774 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485762607 1039537678 /nfs/dbraw/zinc/53/76/78/1039537678.db2.gz PXSBCSSOUOWFSB-IRXDYDNUSA-N 1 2 338.442 3.899 20 0 EHADLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485762607 1039537693 /nfs/dbraw/zinc/53/76/93/1039537693.db2.gz PXSBCSSOUOWFSB-IRXDYDNUSA-N 1 2 338.442 3.899 20 0 EHADLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000419187679 1039575186 /nfs/dbraw/zinc/57/51/86/1039575186.db2.gz JKPVZEJIVPHHHT-AEFFLSMTSA-N 1 2 341.476 3.558 20 0 EHADLO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(c4[nH]cc[nH+]4)CC1)(C3)C2 ZINC000906468161 1039583543 /nfs/dbraw/zinc/58/35/43/1039583543.db2.gz FLLRWJTYGLDSLS-JNKARSBBSA-N 1 2 327.472 3.722 20 0 EHADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000485830730 1039590849 /nfs/dbraw/zinc/59/08/49/1039590849.db2.gz OFPHLTGKABLXLM-GOSISDBHSA-N 1 2 343.858 3.716 20 0 EHADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000485830730 1039590859 /nfs/dbraw/zinc/59/08/59/1039590859.db2.gz OFPHLTGKABLXLM-GOSISDBHSA-N 1 2 343.858 3.716 20 0 EHADLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(F)(F)F)s2)cc1 ZINC000660175843 1039596787 /nfs/dbraw/zinc/59/67/87/1039596787.db2.gz OPVQJRQFFCBIHB-VIFPVBQESA-N 1 2 331.363 3.806 20 0 EHADLO Cc1sc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)nc1C(C)C ZINC000667371134 1039606574 /nfs/dbraw/zinc/60/65/74/1039606574.db2.gz WGRYWENIZZUAMZ-UHFFFAOYSA-N 1 2 333.461 3.640 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279938848 1039612004 /nfs/dbraw/zinc/61/20/04/1039612004.db2.gz XCPFGKLQIAARAP-JKSUJKDBSA-N 1 2 342.439 3.673 20 0 EHADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279938848 1039612012 /nfs/dbraw/zinc/61/20/12/1039612012.db2.gz XCPFGKLQIAARAP-JKSUJKDBSA-N 1 2 342.439 3.673 20 0 EHADLO CC1(C)CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000478720381 1039665559 /nfs/dbraw/zinc/66/55/59/1039665559.db2.gz IPSSBRWIUQZTMT-KRWDZBQOSA-N 1 2 341.455 3.863 20 0 EHADLO C[C@@H](c1cccc(Cl)c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000480558834 1039694989 /nfs/dbraw/zinc/69/49/89/1039694989.db2.gz YHOQXZDXMFNTNU-GJZGRUSLSA-N 1 2 340.870 3.727 20 0 EHADLO CC(C)(CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC000898909205 1039696944 /nfs/dbraw/zinc/69/69/44/1039696944.db2.gz KHJZOKFVTKIGCH-QZTJIDSGSA-N 1 2 325.456 3.708 20 0 EHADLO C[N@H+](Cc1cccc(F)c1Cl)Cc1ccccc1N1CCOCC1 ZINC000549746854 1039768664 /nfs/dbraw/zinc/76/86/64/1039768664.db2.gz DLLKENLFIWFIQY-UHFFFAOYSA-N 1 2 348.849 3.948 20 0 EHADLO C[N@@H+](Cc1cccc(F)c1Cl)Cc1ccccc1N1CCOCC1 ZINC000549746854 1039768683 /nfs/dbraw/zinc/76/86/83/1039768683.db2.gz DLLKENLFIWFIQY-UHFFFAOYSA-N 1 2 348.849 3.948 20 0 EHADLO O=c1oc2ccc(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2o1 ZINC000893946560 1039873475 /nfs/dbraw/zinc/87/34/75/1039873475.db2.gz DQPVMRBRQRJLMB-QGZVFWFLSA-N 1 2 345.782 3.613 20 0 EHADLO O=c1oc2ccc(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2o1 ZINC000893946560 1039873496 /nfs/dbraw/zinc/87/34/96/1039873496.db2.gz DQPVMRBRQRJLMB-QGZVFWFLSA-N 1 2 345.782 3.613 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c(C)[nH+]1 ZINC000907002521 1039878270 /nfs/dbraw/zinc/87/82/70/1039878270.db2.gz XQAUMJKCQZRHOL-AWEZNQCLSA-N 1 2 336.395 3.548 20 0 EHADLO CC[NH+](CC)Cc1ccccc1CN=c1nc(C(C)(C)C)[nH]s1 ZINC000489350342 1039879445 /nfs/dbraw/zinc/87/94/45/1039879445.db2.gz DCCNFTYJIHUORS-UHFFFAOYSA-N 1 2 332.517 3.711 20 0 EHADLO CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000553239602 1039886430 /nfs/dbraw/zinc/88/64/30/1039886430.db2.gz SKLYHUOAQVRMGP-QFBILLFUSA-N 1 2 337.467 3.666 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC=CC12CCCCC2 ZINC000912475407 1039926939 /nfs/dbraw/zinc/92/69/39/1039926939.db2.gz XGLNLLQAYFSYJN-UHFFFAOYSA-N 1 2 335.451 3.575 20 0 EHADLO Cc1cc(C)cc(C2(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000553296067 1039942105 /nfs/dbraw/zinc/94/21/05/1039942105.db2.gz HKDJZJWWTGOGEC-UHFFFAOYSA-N 1 2 346.434 3.614 20 0 EHADLO Cc1cc(OCC(=O)Nc2cc(F)cc(F)c2)c2ccccc2[nH+]1 ZINC000486190697 1039954228 /nfs/dbraw/zinc/95/42/28/1039954228.db2.gz KXGWUMKZLYETAT-UHFFFAOYSA-N 1 2 328.318 3.839 20 0 EHADLO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC000907209838 1039956693 /nfs/dbraw/zinc/95/66/93/1039956693.db2.gz HPBHSDZXIBMDBW-BEFAXECRSA-N 1 2 342.439 3.521 20 0 EHADLO CC(=O)c1cc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)on1 ZINC000567484736 1039965002 /nfs/dbraw/zinc/96/50/02/1039965002.db2.gz YIJWJFRUWYEJHS-SFHVURJKSA-N 1 2 334.366 3.939 20 0 EHADLO Cc1ncsc1C[NH+]1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000549853656 1040054644 /nfs/dbraw/zinc/05/46/44/1040054644.db2.gz ACCNFVFSKRFUPQ-UHFFFAOYSA-N 1 2 329.513 3.893 20 0 EHADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143551896 1040056939 /nfs/dbraw/zinc/05/69/39/1040056939.db2.gz MJTBUWREOGFADD-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001143551896 1040056956 /nfs/dbraw/zinc/05/69/56/1040056956.db2.gz MJTBUWREOGFADD-ZDUSSCGKSA-N 1 2 327.268 3.697 20 0 EHADLO Fc1ccccc1Oc1cc(C[NH2+]Cc2nccn2C2CC2)ccn1 ZINC000894096388 1040087818 /nfs/dbraw/zinc/08/78/18/1040087818.db2.gz ZBEQZAMOVGDTDU-UHFFFAOYSA-N 1 2 338.386 3.834 20 0 EHADLO CC(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161927844 1040092007 /nfs/dbraw/zinc/09/20/07/1040092007.db2.gz YMWDSLLNNRAERP-GUYCJALGSA-N 1 2 331.847 3.612 20 0 EHADLO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1Cl ZINC000555105543 1040168488 /nfs/dbraw/zinc/16/84/88/1040168488.db2.gz CGUMSDWVQNFKSS-CYBMUJFWSA-N 1 2 340.254 3.954 20 0 EHADLO COc1cc(Cl)c(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1Cl ZINC000555105543 1040168500 /nfs/dbraw/zinc/16/85/00/1040168500.db2.gz CGUMSDWVQNFKSS-CYBMUJFWSA-N 1 2 340.254 3.954 20 0 EHADLO C[C@@](O)(C1CC[NH+](Cc2ccsc2Cl)CC1)C(F)(F)F ZINC000584874227 1040178094 /nfs/dbraw/zinc/17/80/94/1040178094.db2.gz NPSIMPSHRJNMPT-GFCCVEGCSA-N 1 2 327.799 3.927 20 0 EHADLO CO[C@H](C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 ZINC000660268948 1040178373 /nfs/dbraw/zinc/17/83/73/1040178373.db2.gz JXRUZWHXNYQYCC-CRAIPNDOSA-N 1 2 343.471 3.906 20 0 EHADLO O=C(c1cscc1C(F)F)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927103920 1040179501 /nfs/dbraw/zinc/17/95/01/1040179501.db2.gz GWEJRCVSYBLSOI-UHFFFAOYSA-N 1 2 337.395 3.797 20 0 EHADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccoc1Cl ZINC000907813694 1040180627 /nfs/dbraw/zinc/18/06/27/1040180627.db2.gz CGSMODMUVIGSFX-LBPRGKRZSA-N 1 2 347.846 3.991 20 0 EHADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccoc1Cl ZINC000907813694 1040180637 /nfs/dbraw/zinc/18/06/37/1040180637.db2.gz CGSMODMUVIGSFX-LBPRGKRZSA-N 1 2 347.846 3.991 20 0 EHADLO COC(=O)c1cccc(Br)c1C[N@H+](C(C)C)C1CC1 ZINC000432922743 1040184451 /nfs/dbraw/zinc/18/44/51/1040184451.db2.gz BFRQEPFVRQDVRT-UHFFFAOYSA-N 1 2 326.234 3.609 20 0 EHADLO COC(=O)c1cccc(Br)c1C[N@@H+](C(C)C)C1CC1 ZINC000432922743 1040184457 /nfs/dbraw/zinc/18/44/57/1040184457.db2.gz BFRQEPFVRQDVRT-UHFFFAOYSA-N 1 2 326.234 3.609 20 0 EHADLO CC[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@H](O)C(F)(F)F ZINC000432930723 1040205975 /nfs/dbraw/zinc/20/59/75/1040205975.db2.gz ZJOZGIIHZULGBN-VIFPVBQESA-N 1 2 334.140 3.878 20 0 EHADLO CC[N@H+](Cc1ccc(F)c(Cl)c1Cl)C[C@H](O)C(F)(F)F ZINC000432930723 1040205988 /nfs/dbraw/zinc/20/59/88/1040205988.db2.gz ZJOZGIIHZULGBN-VIFPVBQESA-N 1 2 334.140 3.878 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCO1 ZINC000907935237 1040233984 /nfs/dbraw/zinc/23/39/84/1040233984.db2.gz QPFUXFGAVBYYPF-KSSFIOAISA-N 1 2 339.439 3.640 20 0 EHADLO COCC[C@H]1CCCC[N@H+](Cc2ncsc2Br)C1 ZINC000660293798 1040272860 /nfs/dbraw/zinc/27/28/60/1040272860.db2.gz SPYPHMATPNMIPH-LLVKDONJSA-N 1 2 333.295 3.544 20 0 EHADLO COCC[C@H]1CCCC[N@@H+](Cc2ncsc2Br)C1 ZINC000660293798 1040272876 /nfs/dbraw/zinc/27/28/76/1040272876.db2.gz SPYPHMATPNMIPH-LLVKDONJSA-N 1 2 333.295 3.544 20 0 EHADLO CCC/C=C\[C@@H](O)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000907934622 1040248923 /nfs/dbraw/zinc/24/89/23/1040248923.db2.gz LAHBXRLVMXTMKB-TURBDRAGSA-N 1 2 339.439 3.542 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH+]1 ZINC000345082960 1040284109 /nfs/dbraw/zinc/28/41/09/1040284109.db2.gz TTWFPEQKBKQBCC-CYBMUJFWSA-N 1 2 327.819 3.611 20 0 EHADLO CC(C)[N@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccccc1F ZINC000667505572 1040324959 /nfs/dbraw/zinc/32/49/59/1040324959.db2.gz UBSFVDWXRWDYLE-UHFFFAOYSA-N 1 2 329.341 3.989 20 0 EHADLO CC(C)[N@@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccccc1F ZINC000667505572 1040324974 /nfs/dbraw/zinc/32/49/74/1040324974.db2.gz UBSFVDWXRWDYLE-UHFFFAOYSA-N 1 2 329.341 3.989 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccoc1C(=O)OC ZINC000490095009 1040355376 /nfs/dbraw/zinc/35/53/76/1040355376.db2.gz WMCIJFNXVUXUNP-OAHLLOKOSA-N 1 2 337.803 3.539 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000490095009 1040355392 /nfs/dbraw/zinc/35/53/92/1040355392.db2.gz WMCIJFNXVUXUNP-OAHLLOKOSA-N 1 2 337.803 3.539 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339823510 1040370293 /nfs/dbraw/zinc/37/02/93/1040370293.db2.gz VAWWAWCBEXQCPX-QGZVFWFLSA-N 1 2 331.375 3.776 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649083 1040403386 /nfs/dbraw/zinc/40/33/86/1040403386.db2.gz OENIBPGXFAIYAQ-GRYCIOLGSA-N 1 2 334.382 3.526 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649083 1040403393 /nfs/dbraw/zinc/40/33/93/1040403393.db2.gz OENIBPGXFAIYAQ-GRYCIOLGSA-N 1 2 334.382 3.526 20 0 EHADLO CC(C)Sc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000481162815 1040417173 /nfs/dbraw/zinc/41/71/73/1040417173.db2.gz DAKMXJMOOWHFEF-UHFFFAOYSA-N 1 2 349.544 3.813 20 0 EHADLO CCCn1c(C)nnc1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000364201758 1040425382 /nfs/dbraw/zinc/42/53/82/1040425382.db2.gz FIUJSBLEMBDNIY-UHFFFAOYSA-N 1 2 334.414 3.654 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000029541899 1040433278 /nfs/dbraw/zinc/43/32/78/1040433278.db2.gz MGJAQEVDYSDRBS-ZDUSSCGKSA-N 1 2 331.489 3.745 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000029541899 1040433284 /nfs/dbraw/zinc/43/32/84/1040433284.db2.gz MGJAQEVDYSDRBS-ZDUSSCGKSA-N 1 2 331.489 3.745 20 0 EHADLO CC(C)([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc(Cl)c1 ZINC000367658861 1040474907 /nfs/dbraw/zinc/47/49/07/1040474907.db2.gz HGYAIESFMQTTMU-UHFFFAOYSA-N 1 2 328.803 3.810 20 0 EHADLO CCCC[C@H](CC)CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155203154 1040509888 /nfs/dbraw/zinc/50/98/88/1040509888.db2.gz ZGWOHUYQPVYGIW-INIZCTEOSA-N 1 2 333.476 3.772 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[S@](=O)CC3)o2)cc1 ZINC000433042351 1040532493 /nfs/dbraw/zinc/53/24/93/1040532493.db2.gz GBAKFLQWPZGBKR-IQMFZBJNSA-N 1 2 331.481 3.852 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[S@](=O)CC3)o2)cc1 ZINC000433042351 1040532501 /nfs/dbraw/zinc/53/25/01/1040532501.db2.gz GBAKFLQWPZGBKR-IQMFZBJNSA-N 1 2 331.481 3.852 20 0 EHADLO COCc1nc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cs1 ZINC000418089904 1040565685 /nfs/dbraw/zinc/56/56/85/1040565685.db2.gz DALMCVHQMCUXSA-OAHLLOKOSA-N 1 2 338.423 3.775 20 0 EHADLO COCc1nc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cs1 ZINC000418089904 1040565696 /nfs/dbraw/zinc/56/56/96/1040565696.db2.gz DALMCVHQMCUXSA-OAHLLOKOSA-N 1 2 338.423 3.775 20 0 EHADLO COc1cc(C)c(C)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667549641 1040588070 /nfs/dbraw/zinc/58/80/70/1040588070.db2.gz RWLRTLWOYLIVLA-SUMWQHHRSA-N 1 2 342.443 3.624 20 0 EHADLO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000433071454 1040630133 /nfs/dbraw/zinc/63/01/33/1040630133.db2.gz JTIMXHQFWPTROY-MRXNPFEDSA-N 1 2 344.405 3.955 20 0 EHADLO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000433071454 1040630148 /nfs/dbraw/zinc/63/01/48/1040630148.db2.gz JTIMXHQFWPTROY-MRXNPFEDSA-N 1 2 344.405 3.955 20 0 EHADLO Cc1ncccc1OC[C@@H]1CCCN1c1[nH+]ccc2c(N)cccc21 ZINC000664022082 1040837399 /nfs/dbraw/zinc/83/73/99/1040837399.db2.gz CWNMRJBWTPCBLV-HNNXBMFYSA-N 1 2 334.423 3.568 20 0 EHADLO COC(=O)[C@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)Cc2ccccc21 ZINC000600215218 1040853726 /nfs/dbraw/zinc/85/37/26/1040853726.db2.gz NDMZLZUEJAIVMV-INIZCTEOSA-N 1 2 344.480 3.713 20 0 EHADLO COC(=O)[C@H]1C[N@@H+](Cc2cnc(C(C)(C)C)s2)Cc2ccccc21 ZINC000600215218 1040853740 /nfs/dbraw/zinc/85/37/40/1040853740.db2.gz NDMZLZUEJAIVMV-INIZCTEOSA-N 1 2 344.480 3.713 20 0 EHADLO O=C(CCC1CCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000487268334 1040861261 /nfs/dbraw/zinc/86/12/61/1040861261.db2.gz LWRGBCZLVJYRGJ-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(CCC1CCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000487268334 1040861274 /nfs/dbraw/zinc/86/12/74/1040861274.db2.gz LWRGBCZLVJYRGJ-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1cn2c(cccc2C)n1 ZINC000487295877 1040878753 /nfs/dbraw/zinc/87/87/53/1040878753.db2.gz HXQASVXAMIABIF-UHFFFAOYSA-N 1 2 329.831 3.985 20 0 EHADLO CCOc1cc(F)c(F)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001211803427 1040945794 /nfs/dbraw/zinc/94/57/94/1040945794.db2.gz JEMXHFLBVKUPJE-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](OCC(C)C)C1 ZINC000468765720 1040967957 /nfs/dbraw/zinc/96/79/57/1040967957.db2.gz AYPRXXABMBCOIG-HNNXBMFYSA-N 1 2 342.439 3.663 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433192174 1041033698 /nfs/dbraw/zinc/03/36/98/1041033698.db2.gz KBZWVVLHPWBORF-ZFWWWQNUSA-N 1 2 344.546 3.585 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433192174 1041033712 /nfs/dbraw/zinc/03/37/12/1041033712.db2.gz KBZWVVLHPWBORF-ZFWWWQNUSA-N 1 2 344.546 3.585 20 0 EHADLO c1ccc2c(c1)CCS[C@H]2CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000487666237 1041035024 /nfs/dbraw/zinc/03/50/24/1041035024.db2.gz WOMYGUMFIWONRL-KRWDZBQOSA-N 1 2 340.496 3.909 20 0 EHADLO c1ccc2c(c1)CCS[C@H]2CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000487666237 1041035047 /nfs/dbraw/zinc/03/50/47/1041035047.db2.gz WOMYGUMFIWONRL-KRWDZBQOSA-N 1 2 340.496 3.909 20 0 EHADLO CCCCNc1ccccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000555721046 1041044494 /nfs/dbraw/zinc/04/44/94/1041044494.db2.gz CEZUTPSDELXLEU-UHFFFAOYSA-N 1 2 340.471 3.704 20 0 EHADLO CCC[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCC1 ZINC000909930717 1041069489 /nfs/dbraw/zinc/06/94/89/1041069489.db2.gz UYOPBLNUYYUVIA-LJQANCHMSA-N 1 2 340.471 3.694 20 0 EHADLO COc1cc(Cl)cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000433240082 1041114676 /nfs/dbraw/zinc/11/46/76/1041114676.db2.gz KDXLWKWDUZJGGQ-UHFFFAOYSA-N 1 2 348.830 3.641 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000251045891 1041146348 /nfs/dbraw/zinc/14/63/48/1041146348.db2.gz QFDOIYXKNKUCDM-CJNGLKHVSA-N 1 2 343.496 3.881 20 0 EHADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000251045891 1041146359 /nfs/dbraw/zinc/14/63/59/1041146359.db2.gz QFDOIYXKNKUCDM-CJNGLKHVSA-N 1 2 343.496 3.881 20 0 EHADLO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(F)c(Cl)c1 ZINC000433249698 1041156531 /nfs/dbraw/zinc/15/65/31/1041156531.db2.gz XMOPNGBFRFSFOP-UHFFFAOYSA-N 1 2 332.806 3.500 20 0 EHADLO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(F)c(Cl)c1 ZINC000433249698 1041156535 /nfs/dbraw/zinc/15/65/35/1041156535.db2.gz XMOPNGBFRFSFOP-UHFFFAOYSA-N 1 2 332.806 3.500 20 0 EHADLO Cc1ccc2oc(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2c1 ZINC000571061569 1041172749 /nfs/dbraw/zinc/17/27/49/1041172749.db2.gz YUYFDKABVADJSH-FQEVSTJZSA-N 1 2 334.419 3.851 20 0 EHADLO Cc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc2[nH]cnc21 ZINC000923903219 1041178636 /nfs/dbraw/zinc/17/86/36/1041178636.db2.gz USVCMISPZOFYSA-HNNXBMFYSA-N 1 2 336.399 3.753 20 0 EHADLO C[C@@H](CC(=O)NC(c1cccs1)c1cccs1)n1cc[nH+]c1 ZINC000571094681 1041179558 /nfs/dbraw/zinc/17/95/58/1041179558.db2.gz SXQMMHJFOZITKK-LBPRGKRZSA-N 1 2 331.466 3.863 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000487948725 1041199240 /nfs/dbraw/zinc/19/92/40/1041199240.db2.gz NYPFUGIKGXFXSI-UHFFFAOYSA-N 1 2 338.436 3.503 20 0 EHADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364411925 1041226795 /nfs/dbraw/zinc/22/67/95/1041226795.db2.gz LJNLQSCLAQPWNP-HNNXBMFYSA-N 1 2 331.847 3.536 20 0 EHADLO Cc1nc([C@@](C)([NH2+]CCOc2ccc3ccccc3c2)C2CC2)no1 ZINC000433301120 1041241100 /nfs/dbraw/zinc/24/11/00/1041241100.db2.gz FUABLTYLCKBKLE-FQEVSTJZSA-N 1 2 337.423 3.825 20 0 EHADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571213559 1041256359 /nfs/dbraw/zinc/25/63/59/1041256359.db2.gz IJGIPYIKOCJRMD-ZMSDIMECSA-N 1 2 343.858 3.551 20 0 EHADLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000481703573 1041274423 /nfs/dbraw/zinc/27/44/23/1041274423.db2.gz UXDOEYUFUOBAEH-QGZVFWFLSA-N 1 2 340.471 3.903 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194851385 1041337039 /nfs/dbraw/zinc/33/70/39/1041337039.db2.gz ASTDYRVEZQWCSX-STQMWFEESA-N 1 2 348.796 3.774 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194851385 1041337054 /nfs/dbraw/zinc/33/70/54/1041337054.db2.gz ASTDYRVEZQWCSX-STQMWFEESA-N 1 2 348.796 3.774 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231776 1041535260 /nfs/dbraw/zinc/53/52/60/1041535260.db2.gz LQDMWMMRUJSOPZ-OLZOCXBDSA-N 1 2 346.374 3.599 20 0 EHADLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231776 1041535265 /nfs/dbraw/zinc/53/52/65/1041535265.db2.gz LQDMWMMRUJSOPZ-OLZOCXBDSA-N 1 2 346.374 3.599 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@@H+]2CCO[C@@H](c3ccccc3)C2)oc1C ZINC000292718235 1041601377 /nfs/dbraw/zinc/60/13/77/1041601377.db2.gz UJXGJOKOVPZESB-SCLBCKFNSA-N 1 2 329.396 3.509 20 0 EHADLO COC(=O)c1cc([C@H](C)[N@H+]2CCO[C@@H](c3ccccc3)C2)oc1C ZINC000292718235 1041601380 /nfs/dbraw/zinc/60/13/80/1041601380.db2.gz UJXGJOKOVPZESB-SCLBCKFNSA-N 1 2 329.396 3.509 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194420901 1041623105 /nfs/dbraw/zinc/62/31/05/1041623105.db2.gz CHINHHKYBUVFSQ-UHFFFAOYSA-N 1 2 345.450 3.988 20 0 EHADLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111476756 1041656211 /nfs/dbraw/zinc/65/62/11/1041656211.db2.gz FVBKMFQXIQMOFY-MGPUTAFESA-N 1 2 346.434 3.605 20 0 EHADLO CCN(CC)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)s1 ZINC000511838795 1041678906 /nfs/dbraw/zinc/67/89/06/1041678906.db2.gz QRVUJXFYPNSWBQ-YJBOKZPZSA-N 1 2 345.512 3.951 20 0 EHADLO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)s1 ZINC000511838795 1041678909 /nfs/dbraw/zinc/67/89/09/1041678909.db2.gz QRVUJXFYPNSWBQ-YJBOKZPZSA-N 1 2 345.512 3.951 20 0 EHADLO c1[nH+]cn2c1CN(CCOc1ccc(Oc3ccccc3)cc1)CC2 ZINC000660576676 1041704753 /nfs/dbraw/zinc/70/47/53/1041704753.db2.gz CNYKXXHIZUQWRF-UHFFFAOYSA-N 1 2 335.407 3.570 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccccc2OC)cc1 ZINC000511861677 1041737300 /nfs/dbraw/zinc/73/73/00/1041737300.db2.gz UPKNZNWPTLPNPC-MRXNPFEDSA-N 1 2 340.467 3.696 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccccc2OC)cc1 ZINC000511861677 1041737307 /nfs/dbraw/zinc/73/73/07/1041737307.db2.gz UPKNZNWPTLPNPC-MRXNPFEDSA-N 1 2 340.467 3.696 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000660708184 1041786955 /nfs/dbraw/zinc/78/69/55/1041786955.db2.gz MZSXCIBWKMPLLM-JTQLQIEISA-N 1 2 338.242 3.759 20 0 EHADLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000660708184 1041786965 /nfs/dbraw/zinc/78/69/65/1041786965.db2.gz MZSXCIBWKMPLLM-JTQLQIEISA-N 1 2 338.242 3.759 20 0 EHADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Cl)cc2Cl)n1 ZINC000660744589 1041796157 /nfs/dbraw/zinc/79/61/57/1041796157.db2.gz CPVSIZDXHHUMRY-UHFFFAOYSA-N 1 2 326.227 3.822 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCCC(F)(F)CC1 ZINC000628628607 1041834283 /nfs/dbraw/zinc/83/42/83/1041834283.db2.gz DCBGFXKKVXZOIU-OAHLLOKOSA-N 1 2 333.382 3.580 20 0 EHADLO COc1ccccc1[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164270144 1041843587 /nfs/dbraw/zinc/84/35/87/1041843587.db2.gz TYUCOYBEJIUFPB-KRWDZBQOSA-N 1 2 335.451 3.985 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCOC4(CCCC4)C3)[nH+]cn2)C1 ZINC000301704204 1041848629 /nfs/dbraw/zinc/84/86/29/1041848629.db2.gz RIEWVFRDCDWTSE-CVEARBPZSA-N 1 2 330.476 3.617 20 0 EHADLO C[C@@H]1CCCN(c2cc(N[C@H]3CCOC4(CCCC4)C3)nc[nH+]2)C1 ZINC000301704204 1041848633 /nfs/dbraw/zinc/84/86/33/1041848633.db2.gz RIEWVFRDCDWTSE-CVEARBPZSA-N 1 2 330.476 3.617 20 0 EHADLO FC(F)(F)c1ccc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)s1 ZINC000924171620 1041854251 /nfs/dbraw/zinc/85/42/51/1041854251.db2.gz OYZJWCZGIGFAMZ-RNFRBKRXSA-N 1 2 326.303 3.811 20 0 EHADLO O=C(c1c[nH]c2cc(Cl)ccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533592 1041869274 /nfs/dbraw/zinc/86/92/74/1041869274.db2.gz WRXAHIFKNQVSLS-LLVKDONJSA-N 1 2 328.803 3.564 20 0 EHADLO COc1cccc2c(NCc3ccc(C[S@](C)=O)cc3)cc[nH+]c12 ZINC000343873656 1041915348 /nfs/dbraw/zinc/91/53/48/1041915348.db2.gz VDXLOYDKHCPMAI-DEOSSOPVSA-N 1 2 340.448 3.734 20 0 EHADLO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000651730533 1041973135 /nfs/dbraw/zinc/97/31/35/1041973135.db2.gz PLYAPLLMPBXTSS-ZBFHGGJFSA-N 1 2 331.460 3.762 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)c1 ZINC000661162164 1041976930 /nfs/dbraw/zinc/97/69/30/1041976930.db2.gz JYKFCSVKOXJGQO-AWEZNQCLSA-N 1 2 340.423 3.689 20 0 EHADLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)cc1Cl ZINC000661162291 1041977904 /nfs/dbraw/zinc/97/79/04/1041977904.db2.gz OTGQKNCZUFTNFY-UHFFFAOYSA-N 1 2 348.830 3.760 20 0 EHADLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000661162759 1041977966 /nfs/dbraw/zinc/97/79/66/1041977966.db2.gz VTWQHUHLHNHQMT-UHFFFAOYSA-N 1 2 346.393 3.506 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(OC)cc2OC)o1 ZINC000651764138 1042009654 /nfs/dbraw/zinc/00/96/54/1042009654.db2.gz GBWYCLSPGRUHKD-MRXNPFEDSA-N 1 2 349.402 3.919 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(OC)cc2OC)o1 ZINC000651764138 1042009661 /nfs/dbraw/zinc/00/96/61/1042009661.db2.gz GBWYCLSPGRUHKD-MRXNPFEDSA-N 1 2 349.402 3.919 20 0 EHADLO COc1ccccc1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001126055907 1042034377 /nfs/dbraw/zinc/03/43/77/1042034377.db2.gz XOJRSJYNOJDTRM-HRAATJIYSA-N 1 2 349.434 3.749 20 0 EHADLO CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000661291575 1042052139 /nfs/dbraw/zinc/05/21/39/1042052139.db2.gz IVZKXXVHMQRNIX-SFHVURJKSA-N 1 2 329.419 3.658 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000651804879 1042059115 /nfs/dbraw/zinc/05/91/15/1042059115.db2.gz YKCPKXPGUUKFNI-FQEVSTJZSA-N 1 2 335.455 3.939 20 0 EHADLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000651804879 1042059121 /nfs/dbraw/zinc/05/91/21/1042059121.db2.gz YKCPKXPGUUKFNI-FQEVSTJZSA-N 1 2 335.455 3.939 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(Br)s1 ZINC000040223539 1042088678 /nfs/dbraw/zinc/08/86/78/1042088678.db2.gz NHZSAWPWQBIGTM-UHFFFAOYSA-N 1 2 348.225 3.949 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1cscn1 ZINC000661424624 1042114516 /nfs/dbraw/zinc/11/45/16/1042114516.db2.gz LLSKGZFXOIEIDC-CHWSQXEVSA-N 1 2 347.509 3.711 20 0 EHADLO Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc(C(F)(F)F)c1 ZINC000651881572 1042136249 /nfs/dbraw/zinc/13/62/49/1042136249.db2.gz HSBCXMOLYYMGST-UHFFFAOYSA-N 1 2 337.345 3.728 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000661466067 1042137105 /nfs/dbraw/zinc/13/71/05/1042137105.db2.gz HNWQZUVOIREJRT-MRXNPFEDSA-N 1 2 337.467 3.504 20 0 EHADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000661466067 1042137109 /nfs/dbraw/zinc/13/71/09/1042137109.db2.gz HNWQZUVOIREJRT-MRXNPFEDSA-N 1 2 337.467 3.504 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513792 1042160232 /nfs/dbraw/zinc/16/02/32/1042160232.db2.gz LBAMLOYOLPCGOG-KXBFYZLASA-N 1 2 326.415 3.792 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513792 1042160235 /nfs/dbraw/zinc/16/02/35/1042160235.db2.gz LBAMLOYOLPCGOG-KXBFYZLASA-N 1 2 326.415 3.792 20 0 EHADLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1F ZINC000661563235 1042191057 /nfs/dbraw/zinc/19/10/57/1042191057.db2.gz WSKFBWGAQNEOJQ-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1F ZINC000661563235 1042191063 /nfs/dbraw/zinc/19/10/63/1042191063.db2.gz WSKFBWGAQNEOJQ-GOSISDBHSA-N 1 2 331.387 3.781 20 0 EHADLO Clc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCc2c[nH]nn2)cc1 ZINC000661788841 1042327297 /nfs/dbraw/zinc/32/72/97/1042327297.db2.gz UCJHNOJMWIXOFM-KRWDZBQOSA-N 1 2 344.871 3.710 20 0 EHADLO Cc1ccc(-c2csc3ncnc(NCCn4cc[nH+]c4)c23)cc1 ZINC000025673594 1042331647 /nfs/dbraw/zinc/33/16/47/1042331647.db2.gz VRWLDBIFMAZOTO-UHFFFAOYSA-N 1 2 335.436 3.975 20 0 EHADLO Fc1ccccc1C[N@@H+](Cc1nc(-c2ccoc2)no1)CC1CC1 ZINC000661795052 1042331701 /nfs/dbraw/zinc/33/17/01/1042331701.db2.gz WFMAHAYHYBNLRL-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO Fc1ccccc1C[N@H+](Cc1nc(-c2ccoc2)no1)CC1CC1 ZINC000661795052 1042331704 /nfs/dbraw/zinc/33/17/04/1042331704.db2.gz WFMAHAYHYBNLRL-UHFFFAOYSA-N 1 2 327.359 3.881 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)nc(=O)c2c1C ZINC000661853128 1042366031 /nfs/dbraw/zinc/36/60/31/1042366031.db2.gz AXNHVQBAVWLFGB-JFGNBEQYSA-N 1 2 335.473 3.574 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[N@H+]3CC[C@@H](C)O[C@@H](C)C3)nc(=O)c2c1C ZINC000661853128 1042366035 /nfs/dbraw/zinc/36/60/35/1042366035.db2.gz AXNHVQBAVWLFGB-JFGNBEQYSA-N 1 2 335.473 3.574 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873302 1042379431 /nfs/dbraw/zinc/37/94/31/1042379431.db2.gz FHKCAPAXSIBINS-IRXDYDNUSA-N 1 2 333.476 3.898 20 0 EHADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873302 1042379434 /nfs/dbraw/zinc/37/94/34/1042379434.db2.gz FHKCAPAXSIBINS-IRXDYDNUSA-N 1 2 333.476 3.898 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000026190141 1042416058 /nfs/dbraw/zinc/41/60/58/1042416058.db2.gz IJGCOXUHUQEGEI-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000026190141 1042416061 /nfs/dbraw/zinc/41/60/61/1042416061.db2.gz IJGCOXUHUQEGEI-MRXNPFEDSA-N 1 2 326.440 3.771 20 0 EHADLO FC(F)n1c(C[NH+]2CCC(c3ccon3)CC2)nc2ccccc21 ZINC000662046494 1042479513 /nfs/dbraw/zinc/47/95/13/1042479513.db2.gz HGYPMFMDJPABKR-UHFFFAOYSA-N 1 2 332.354 3.799 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662062041 1042489899 /nfs/dbraw/zinc/48/98/99/1042489899.db2.gz BDBUYEFYLYKTHQ-GOEBONIOSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662062041 1042489902 /nfs/dbraw/zinc/48/99/02/1042489902.db2.gz BDBUYEFYLYKTHQ-GOEBONIOSA-N 1 2 344.842 3.820 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1nccs1 ZINC000184386296 1042497288 /nfs/dbraw/zinc/49/72/88/1042497288.db2.gz WYOOPCUGYNABMD-AWEZNQCLSA-N 1 2 331.485 3.621 20 0 EHADLO Cc1nnc([C@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)[nH]1 ZINC000663172893 1042518327 /nfs/dbraw/zinc/51/83/27/1042518327.db2.gz IPIVJDWFOFHADW-JTQLQIEISA-N 1 2 345.834 3.848 20 0 EHADLO Cn1nc(C(F)(F)F)cc1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000663257426 1042605729 /nfs/dbraw/zinc/60/57/29/1042605729.db2.gz WFWOCFOQKMSLAN-UHFFFAOYSA-N 1 2 343.740 3.591 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@H](CC(F)(F)F)O1 ZINC000662242009 1042627970 /nfs/dbraw/zinc/62/79/70/1042627970.db2.gz KTCHMUJFMSGPEA-YPMHNXCESA-N 1 2 342.336 3.916 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@H](CC(F)(F)F)O1 ZINC000662242009 1042627975 /nfs/dbraw/zinc/62/79/75/1042627975.db2.gz KTCHMUJFMSGPEA-YPMHNXCESA-N 1 2 342.336 3.916 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H](CC(F)(F)F)O1 ZINC000662242007 1042628221 /nfs/dbraw/zinc/62/82/21/1042628221.db2.gz KTCHMUJFMSGPEA-DGCLKSJQSA-N 1 2 342.336 3.916 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H](CC(F)(F)F)O1 ZINC000662242007 1042628223 /nfs/dbraw/zinc/62/82/23/1042628223.db2.gz KTCHMUJFMSGPEA-DGCLKSJQSA-N 1 2 342.336 3.916 20 0 EHADLO CC1(C)C[N@H+](Cc2cnnn2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000644832927 1042635768 /nfs/dbraw/zinc/63/57/68/1042635768.db2.gz KYXUJIASSIKJHL-FQEVSTJZSA-N 1 2 332.451 3.910 20 0 EHADLO CC1(C)C[N@@H+](Cc2cnnn2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000644832927 1042635773 /nfs/dbraw/zinc/63/57/73/1042635773.db2.gz KYXUJIASSIKJHL-FQEVSTJZSA-N 1 2 332.451 3.910 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@H+](C)CC3=CCSC3)n2)cc1 ZINC000662270386 1042647382 /nfs/dbraw/zinc/64/73/82/1042647382.db2.gz RBOIPVCNNZKPTB-UHFFFAOYSA-N 1 2 329.469 3.965 20 0 EHADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)CC3=CCSC3)n2)cc1 ZINC000662270386 1042647383 /nfs/dbraw/zinc/64/73/83/1042647383.db2.gz RBOIPVCNNZKPTB-UHFFFAOYSA-N 1 2 329.469 3.965 20 0 EHADLO Cc1cncc(-c2nc(C[N@@H+]3CC4CC3(c3ccccc3)C4)no2)c1 ZINC000662332167 1042686082 /nfs/dbraw/zinc/68/60/82/1042686082.db2.gz NWENNRDKRPSNBD-UHFFFAOYSA-N 1 2 332.407 3.561 20 0 EHADLO Cc1cncc(-c2nc(C[N@H+]3CC4CC3(c3ccccc3)C4)no2)c1 ZINC000662332167 1042686086 /nfs/dbraw/zinc/68/60/86/1042686086.db2.gz NWENNRDKRPSNBD-UHFFFAOYSA-N 1 2 332.407 3.561 20 0 EHADLO Cc1cnn(CC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)c1 ZINC000661736933 1042730446 /nfs/dbraw/zinc/73/04/46/1042730446.db2.gz QWKYKEUPTFCXTA-KRWDZBQOSA-N 1 2 333.863 3.697 20 0 EHADLO Cc1cnn(CC[N@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)c1 ZINC000661736933 1042730449 /nfs/dbraw/zinc/73/04/49/1042730449.db2.gz QWKYKEUPTFCXTA-KRWDZBQOSA-N 1 2 333.863 3.697 20 0 EHADLO COc1cccc(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1F ZINC000663352365 1042745126 /nfs/dbraw/zinc/74/51/26/1042745126.db2.gz UHWSUCQNQUYHTN-INIZCTEOSA-N 1 2 337.398 3.797 20 0 EHADLO NC(=O)c1ccc(C[N@H+](Cc2cc3ccccc3[nH]2)C2CC2)c(F)c1 ZINC000644835799 1042761625 /nfs/dbraw/zinc/76/16/25/1042761625.db2.gz VSQFVZZOXTVEQU-UHFFFAOYSA-N 1 2 337.398 3.571 20 0 EHADLO NC(=O)c1ccc(C[N@@H+](Cc2cc3ccccc3[nH]2)C2CC2)c(F)c1 ZINC000644835799 1042761629 /nfs/dbraw/zinc/76/16/29/1042761629.db2.gz VSQFVZZOXTVEQU-UHFFFAOYSA-N 1 2 337.398 3.571 20 0 EHADLO Cn1ccc(C[N@H+](Cc2c(Cl)cccc2Cl)C2CC2)cc1=O ZINC000613914235 1042899557 /nfs/dbraw/zinc/89/95/57/1042899557.db2.gz IOUXMDDBHUNJKN-UHFFFAOYSA-N 1 2 337.250 3.857 20 0 EHADLO Cn1ccc(C[N@@H+](Cc2c(Cl)cccc2Cl)C2CC2)cc1=O ZINC000613914235 1042899561 /nfs/dbraw/zinc/89/95/61/1042899561.db2.gz IOUXMDDBHUNJKN-UHFFFAOYSA-N 1 2 337.250 3.857 20 0 EHADLO Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)o1 ZINC000408272510 1042908027 /nfs/dbraw/zinc/90/80/27/1042908027.db2.gz FDLTWUDXHICJMJ-HOCLYGCPSA-N 1 2 327.428 3.875 20 0 EHADLO CC(C)(C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)CC(F)(F)F ZINC000663478640 1042916388 /nfs/dbraw/zinc/91/63/88/1042916388.db2.gz SWPWUVXZMABIBY-GFCCVEGCSA-N 1 2 330.329 3.601 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303412211 1042928932 /nfs/dbraw/zinc/92/89/32/1042928932.db2.gz VGBZONXIAGTJLH-QGZVFWFLSA-N 1 2 330.378 3.592 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303412211 1042928938 /nfs/dbraw/zinc/92/89/38/1042928938.db2.gz VGBZONXIAGTJLH-QGZVFWFLSA-N 1 2 330.378 3.592 20 0 EHADLO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000303852663 1042945308 /nfs/dbraw/zinc/94/53/08/1042945308.db2.gz DXYYTMTVZGXZPQ-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO COc1cccc(CCC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000303852663 1042945311 /nfs/dbraw/zinc/94/53/11/1042945311.db2.gz DXYYTMTVZGXZPQ-HXUWFJFHSA-N 1 2 347.405 3.980 20 0 EHADLO CCSCc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000115161022 1043045931 /nfs/dbraw/zinc/04/59/31/1043045931.db2.gz QSHYZBSFUSSBGJ-UHFFFAOYSA-N 1 2 329.469 3.567 20 0 EHADLO COc1cncc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000343988936 1043068858 /nfs/dbraw/zinc/06/88/58/1043068858.db2.gz SJPKDKMCEFXQBY-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO COc1cncc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c1 ZINC000343988936 1043068871 /nfs/dbraw/zinc/06/88/71/1043068871.db2.gz SJPKDKMCEFXQBY-UHFFFAOYSA-N 1 2 326.318 3.621 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)cc2s1 ZINC000344000516 1043085176 /nfs/dbraw/zinc/08/51/76/1043085176.db2.gz BIHKIURQAYYTSS-QGZVFWFLSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1nc2ccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)cc2s1 ZINC000344000516 1043085184 /nfs/dbraw/zinc/08/51/84/1043085184.db2.gz BIHKIURQAYYTSS-QGZVFWFLSA-N 1 2 337.448 3.818 20 0 EHADLO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278978603 1043119035 /nfs/dbraw/zinc/11/90/35/1043119035.db2.gz QUNDDVZRYWBORH-SNVBAGLBSA-N 1 2 343.374 3.760 20 0 EHADLO CCc1cncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000279081155 1043327671 /nfs/dbraw/zinc/32/76/71/1043327671.db2.gz UZGPAINESOJZQH-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cncc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000279081155 1043327681 /nfs/dbraw/zinc/32/76/81/1043327681.db2.gz UZGPAINESOJZQH-CYBMUJFWSA-N 1 2 344.484 3.585 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(F)c3ccccc32)n1 ZINC000344147854 1043331029 /nfs/dbraw/zinc/33/10/29/1043331029.db2.gz RFQSTAGEGSIEQI-NEPJUHHUSA-N 1 2 329.375 3.920 20 0 EHADLO C[N@H+](CCSc1ccc(F)cc1)Cc1nccn1CC(F)(F)F ZINC000344156679 1043351859 /nfs/dbraw/zinc/35/18/59/1043351859.db2.gz WZLKDSCHMQYCFO-UHFFFAOYSA-N 1 2 347.381 3.809 20 0 EHADLO C[N@@H+](CCSc1ccc(F)cc1)Cc1nccn1CC(F)(F)F ZINC000344156679 1043351864 /nfs/dbraw/zinc/35/18/64/1043351864.db2.gz WZLKDSCHMQYCFO-UHFFFAOYSA-N 1 2 347.381 3.809 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)N(Cc1cccs1)Cc1cccs1 ZINC000279130110 1043406256 /nfs/dbraw/zinc/40/62/56/1043406256.db2.gz DUUIWSMMVMYMBV-UHFFFAOYSA-N 1 2 331.466 3.694 20 0 EHADLO CCCn1ncnc1C[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000279145012 1043447263 /nfs/dbraw/zinc/44/72/63/1043447263.db2.gz YUTLWOOYKPNRMZ-OAHLLOKOSA-N 1 2 346.475 3.582 20 0 EHADLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)F)cc1 ZINC000344223288 1043472046 /nfs/dbraw/zinc/47/20/46/1043472046.db2.gz OJLJOAUEXVFAFN-UHFFFAOYSA-N 1 2 349.362 3.611 20 0 EHADLO c1ccc(CNc2nc(N3C[C@H]4CC[C@@H](C3)O4)[nH+]c3ccccc32)cc1 ZINC000663677046 1043502052 /nfs/dbraw/zinc/50/20/52/1043502052.db2.gz XGJNJZBOTAMUMI-CALCHBBNSA-N 1 2 346.434 3.610 20 0 EHADLO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000344252512 1043520326 /nfs/dbraw/zinc/52/03/26/1043520326.db2.gz RJSMMYHMOYFGCW-YESZJQIVSA-N 1 2 349.425 3.589 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1CC1CCC1 ZINC000663687805 1043586702 /nfs/dbraw/zinc/58/67/02/1043586702.db2.gz YEYPHXYIQRYZMD-GOSISDBHSA-N 1 2 344.503 3.516 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c(Cl)c1 ZINC000279254703 1043660089 /nfs/dbraw/zinc/66/00/89/1043660089.db2.gz LNMKMNLNLGXOJH-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c(Cl)c1 ZINC000279254703 1043660091 /nfs/dbraw/zinc/66/00/91/1043660091.db2.gz LNMKMNLNLGXOJH-ZDUSSCGKSA-N 1 2 326.893 3.723 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279281038 1043706164 /nfs/dbraw/zinc/70/61/64/1043706164.db2.gz WTVSJKPSNIWQDL-GFCCVEGCSA-N 1 2 340.452 3.570 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)n1 ZINC000893675798 1043805466 /nfs/dbraw/zinc/80/54/66/1043805466.db2.gz NESPULGJIOUUMT-UHFFFAOYSA-N 1 2 346.446 3.681 20 0 EHADLO COc1ccc(-c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C)sc2C)cc1 ZINC000344376118 1043829128 /nfs/dbraw/zinc/82/91/28/1043829128.db2.gz LOVHTQWBDUTLPR-ZDUSSCGKSA-N 1 2 344.480 3.508 20 0 EHADLO COc1ccc(-c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)sc2C)cc1 ZINC000344376118 1043829143 /nfs/dbraw/zinc/82/91/43/1043829143.db2.gz LOVHTQWBDUTLPR-ZDUSSCGKSA-N 1 2 344.480 3.508 20 0 EHADLO Cc1nc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663757952 1044111064 /nfs/dbraw/zinc/11/10/64/1044111064.db2.gz XEOJDDMJNMEXEK-NWDGAFQWSA-N 1 2 342.281 3.862 20 0 EHADLO CCOc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1OC ZINC000344709273 1044313061 /nfs/dbraw/zinc/31/30/61/1044313061.db2.gz RXDPREWNDHGDAI-LBPRGKRZSA-N 1 2 336.457 3.548 20 0 EHADLO COc1ccc([C@H](CO)[N@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279769801 1044565340 /nfs/dbraw/zinc/56/53/40/1044565340.db2.gz GBZWWIGEBHVKNN-HNNXBMFYSA-N 1 2 334.485 3.615 20 0 EHADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279769801 1044565348 /nfs/dbraw/zinc/56/53/48/1044565348.db2.gz GBZWWIGEBHVKNN-HNNXBMFYSA-N 1 2 334.485 3.615 20 0 EHADLO Cc1cccc(CC2(O)CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000279890095 1044797341 /nfs/dbraw/zinc/79/73/41/1044797341.db2.gz VDXPJKNGQBPCJZ-UHFFFAOYSA-N 1 2 342.508 3.899 20 0 EHADLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccccc1N(C)C ZINC000866619889 1137369990 /nfs/dbraw/zinc/36/99/90/1137369990.db2.gz ISIRBFIHFJUJHI-SNVBAGLBSA-N 1 2 340.290 3.822 20 0 EHADLO CC(C)(C)n1nccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620619289 1125613162 /nfs/dbraw/zinc/61/31/62/1125613162.db2.gz DYRJRJMJRUYLGS-HNNXBMFYSA-N 1 2 337.427 3.522 20 0 EHADLO Cc1cc(NC(=O)CSc2cccc(Br)c2)cc[nH+]1 ZINC000153790800 1125660242 /nfs/dbraw/zinc/66/02/42/1125660242.db2.gz QLTYFINBRFZBIU-UHFFFAOYSA-N 1 2 337.242 3.883 20 0 EHADLO COc1cc(C)c(C[N@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000154736493 1125752742 /nfs/dbraw/zinc/75/27/42/1125752742.db2.gz SSAAKYRRGLJLGX-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO COc1cc(C)c(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000154736493 1125752756 /nfs/dbraw/zinc/75/27/56/1125752756.db2.gz SSAAKYRRGLJLGX-UHFFFAOYSA-N 1 2 339.439 3.531 20 0 EHADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000622524259 1126710987 /nfs/dbraw/zinc/71/09/87/1126710987.db2.gz MFEIIYFVUFGJRE-UHFFFAOYSA-N 1 2 344.480 3.636 20 0 EHADLO CC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000622546326 1126715740 /nfs/dbraw/zinc/71/57/40/1126715740.db2.gz RCMLBUDPCUCMIN-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO CC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000622546326 1126715743 /nfs/dbraw/zinc/71/57/43/1126715743.db2.gz RCMLBUDPCUCMIN-UHFFFAOYSA-N 1 2 334.891 3.785 20 0 EHADLO CC[N@H+](CC(=O)N(CC1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622576200 1126726984 /nfs/dbraw/zinc/72/69/84/1126726984.db2.gz TXISDQWQXLEUFD-UHFFFAOYSA-N 1 2 334.891 3.953 20 0 EHADLO CC[N@@H+](CC(=O)N(CC1CC1)C1CCC1)Cc1ccccc1Cl ZINC000622576200 1126726987 /nfs/dbraw/zinc/72/69/87/1126726987.db2.gz TXISDQWQXLEUFD-UHFFFAOYSA-N 1 2 334.891 3.953 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000072514427 1126742172 /nfs/dbraw/zinc/74/21/72/1126742172.db2.gz DOMLBIUPFZVDDP-WCQYABFASA-N 1 2 349.862 3.643 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000072514427 1126742175 /nfs/dbraw/zinc/74/21/75/1126742175.db2.gz DOMLBIUPFZVDDP-WCQYABFASA-N 1 2 349.862 3.643 20 0 EHADLO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(Br)cn1 ZINC000901671947 1126803330 /nfs/dbraw/zinc/80/33/30/1126803330.db2.gz JELIHUQRWRCDMN-ZDUSSCGKSA-N 1 2 338.636 3.670 20 0 EHADLO CCc1noc(C[NH2+][C@@H](C)c2ccc(-c3csc(C)n3)cc2)n1 ZINC000623052901 1126867358 /nfs/dbraw/zinc/86/73/58/1126867358.db2.gz BXBBEHCHQLFUDR-NSHDSACASA-N 1 2 328.441 3.915 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000343859449 1126891438 /nfs/dbraw/zinc/89/14/38/1126891438.db2.gz QNJAFRZJUHUSAS-KPFFTGBYSA-N 1 2 337.467 3.754 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)ccc1F ZINC000623232156 1126899890 /nfs/dbraw/zinc/89/98/90/1126899890.db2.gz WQVHNPJFYFVAAI-QZTJIDSGSA-N 1 2 330.378 3.719 20 0 EHADLO CCOc1cccc(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001125084397 1126900202 /nfs/dbraw/zinc/90/02/02/1126900202.db2.gz VUHYZQXPRMOUQN-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO CCC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296094 1126910588 /nfs/dbraw/zinc/91/05/88/1126910588.db2.gz ATXYKWFDTOCVGL-DOTOQJQBSA-N 1 2 331.847 3.551 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000623302737 1126911440 /nfs/dbraw/zinc/91/14/40/1126911440.db2.gz NZKVGOMDMPZRJT-FTRWYGJKSA-N 1 2 337.467 3.631 20 0 EHADLO CCC[C@H]1CCc2nc(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000623332776 1126916827 /nfs/dbraw/zinc/91/68/27/1126916827.db2.gz VQJAGOSJCBXUTF-ZDUSSCGKSA-N 1 2 332.473 3.664 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000192622695 1126924831 /nfs/dbraw/zinc/92/48/31/1126924831.db2.gz ODVFGBIMFFFENF-NSHDSACASA-N 1 2 341.333 3.582 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000192622695 1126924834 /nfs/dbraw/zinc/92/48/34/1126924834.db2.gz ODVFGBIMFFFENF-NSHDSACASA-N 1 2 341.333 3.582 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccnc(-c2ccccc2)n1 ZINC001125153064 1126939528 /nfs/dbraw/zinc/93/95/28/1126939528.db2.gz ZMGCEHGQEFMCRG-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO CCc1cc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)on1 ZINC000623429005 1126953629 /nfs/dbraw/zinc/95/36/29/1126953629.db2.gz ILDATCGUVOOAEU-UHFFFAOYSA-N 1 2 332.297 3.607 20 0 EHADLO C[C@@H]([NH2+]CCc1cscn1)c1cc(Br)cc(F)c1O ZINC000185817109 1127059545 /nfs/dbraw/zinc/05/95/45/1127059545.db2.gz TZZJXZRXZCJSFP-MRVPVSSYSA-N 1 2 345.237 3.644 20 0 EHADLO Fc1ccc2c(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)coc2c1 ZINC000350189926 1127065893 /nfs/dbraw/zinc/06/58/93/1127065893.db2.gz MVCDBNSHMRWZGU-BLLLJJGKSA-N 1 2 343.358 3.548 20 0 EHADLO Fc1ccc2c(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)coc2c1 ZINC000350189926 1127065896 /nfs/dbraw/zinc/06/58/96/1127065896.db2.gz MVCDBNSHMRWZGU-BLLLJJGKSA-N 1 2 343.358 3.548 20 0 EHADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1 ZINC000179525249 1127068847 /nfs/dbraw/zinc/06/88/47/1127068847.db2.gz FWXXTQWMCFWNDO-ZDUSSCGKSA-N 1 2 327.384 3.968 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccco3)no2)c1 ZINC000179670003 1127079890 /nfs/dbraw/zinc/07/98/90/1127079890.db2.gz MWTGMHDXFRQNPP-CYBMUJFWSA-N 1 2 327.384 3.968 20 0 EHADLO CCCc1nc(C)c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)o1 ZINC000350517489 1127081872 /nfs/dbraw/zinc/08/18/72/1127081872.db2.gz ZFTKSCKEWJHBMN-UHFFFAOYSA-N 1 2 335.367 3.838 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000179740191 1127085511 /nfs/dbraw/zinc/08/55/11/1127085511.db2.gz GHVYUNJSVNFBPC-AWEZNQCLSA-N 1 2 327.384 3.969 20 0 EHADLO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179924389 1127100640 /nfs/dbraw/zinc/10/06/40/1127100640.db2.gz JXSOYHJNVBDTFE-CYBMUJFWSA-N 1 2 346.402 3.522 20 0 EHADLO c1ccc([C@@H]2CCCN2c2nc(N3Cc4ccccc4C3)cc[nH+]2)nc1 ZINC000623885764 1127210317 /nfs/dbraw/zinc/21/03/17/1127210317.db2.gz IBBFEBONFBUPNZ-IBGZPJMESA-N 1 2 343.434 3.733 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c2)[nH+]c1C ZINC000763990356 1127214092 /nfs/dbraw/zinc/21/40/92/1127214092.db2.gz ZUIJQEAAYCIMMW-IAQYHMDHSA-N 1 2 325.412 3.637 20 0 EHADLO COc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1SC ZINC000186005119 1127227956 /nfs/dbraw/zinc/22/79/56/1127227956.db2.gz MFGLMDIDLQTFBZ-UHFFFAOYSA-N 1 2 347.402 3.761 20 0 EHADLO O=C(C1CC[NH+](CCOc2ccccc2Cl)CC1)C(F)(F)F ZINC000186054620 1127245730 /nfs/dbraw/zinc/24/57/30/1127245730.db2.gz KNKZJKXVIICWBW-UHFFFAOYSA-N 1 2 335.753 3.562 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1c(F)cccc1Cl ZINC000181745259 1127293684 /nfs/dbraw/zinc/29/36/84/1127293684.db2.gz QIJOXYALUQBGOQ-CYBMUJFWSA-N 1 2 334.822 3.788 20 0 EHADLO Cc1csc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)n1 ZINC000181745175 1127293776 /nfs/dbraw/zinc/29/37/76/1127293776.db2.gz FTEHYJOKYPGITE-SECBINFHSA-N 1 2 327.812 3.533 20 0 EHADLO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3c(F)cccc3Cl)nc12 ZINC000181763156 1127295109 /nfs/dbraw/zinc/29/51/09/1127295109.db2.gz JPEZDPMWPHHBDB-LBPRGKRZSA-N 1 2 345.805 3.646 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000181733695 1127292522 /nfs/dbraw/zinc/29/25/22/1127292522.db2.gz VUKUHXLVKVADJA-CYBMUJFWSA-N 1 2 346.833 3.715 20 0 EHADLO O=C(C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)NC1CC1 ZINC000181889753 1127301302 /nfs/dbraw/zinc/30/13/02/1127301302.db2.gz JOTDBMDHQFNDSI-SFHVURJKSA-N 1 2 349.261 3.951 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C1(C)C ZINC000181873816 1127300695 /nfs/dbraw/zinc/30/06/95/1127300695.db2.gz APOBBCCJVSOEDH-NUEKZKHPSA-N 1 2 329.444 3.515 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCCC(=O)OC(C)(C)C)o1 ZINC000181896237 1127302117 /nfs/dbraw/zinc/30/21/17/1127302117.db2.gz CRFGINMVXPSWFC-INIZCTEOSA-N 1 2 337.460 3.727 20 0 EHADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCCC(=O)OC(C)(C)C)o1 ZINC000181896237 1127302119 /nfs/dbraw/zinc/30/21/19/1127302119.db2.gz CRFGINMVXPSWFC-INIZCTEOSA-N 1 2 337.460 3.727 20 0 EHADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000182886373 1127352335 /nfs/dbraw/zinc/35/23/35/1127352335.db2.gz HZHFIYMWRUOHGQ-NSHDSACASA-N 1 2 337.345 3.509 20 0 EHADLO COc1cccc(C[NH2+][C@H](C)c2nccn2C)c1OC1CCCC1 ZINC000182963724 1127356428 /nfs/dbraw/zinc/35/64/28/1127356428.db2.gz CCOJIPJRIQWBTF-CQSZACIVSA-N 1 2 329.444 3.601 20 0 EHADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000184245118 1127399235 /nfs/dbraw/zinc/39/92/35/1127399235.db2.gz WNHKNUWCYIXEGB-LSDHHAIUSA-N 1 2 331.485 3.596 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@H](COC)c1ccc(C)o1)c1ccccc1 ZINC000184746150 1127412418 /nfs/dbraw/zinc/41/24/18/1127412418.db2.gz OFGVLACGOCOOCI-ZWKOTPCHSA-N 1 2 344.455 3.523 20 0 EHADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cl)c1ccc(C)o1 ZINC000184731328 1127412469 /nfs/dbraw/zinc/41/24/69/1127412469.db2.gz KMAJLJCFSJEXGG-DOMZBBRYSA-N 1 2 336.819 3.546 20 0 EHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)cs1 ZINC000184737593 1127412601 /nfs/dbraw/zinc/41/26/01/1127412601.db2.gz QVAJRBYIGXQZBY-NSHDSACASA-N 1 2 337.876 3.957 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NCCc2ccc(C(C)C)cc2)s1 ZINC000185007330 1127417943 /nfs/dbraw/zinc/41/79/43/1127417943.db2.gz UZKUWOKNQUCWIM-HNNXBMFYSA-N 1 2 345.512 3.584 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185340025 1127425112 /nfs/dbraw/zinc/42/51/12/1127425112.db2.gz FKECQSFSNZUPLH-IBGZPJMESA-N 1 2 340.471 3.796 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000764078897 1127441713 /nfs/dbraw/zinc/44/17/13/1127441713.db2.gz UQTYUSPAGHYTNW-ULFGMLNVSA-N 1 2 348.393 3.531 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000764078897 1127441716 /nfs/dbraw/zinc/44/17/16/1127441716.db2.gz UQTYUSPAGHYTNW-ULFGMLNVSA-N 1 2 348.393 3.531 20 0 EHADLO O=C1OCC[C@H]2C[N@H+](Cc3sc4ccccc4c3Cl)CCN12 ZINC000764436441 1127494286 /nfs/dbraw/zinc/49/42/86/1127494286.db2.gz GWYVNNIXRNOMRJ-NSHDSACASA-N 1 2 336.844 3.581 20 0 EHADLO O=C1OCC[C@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)CCN12 ZINC000764436441 1127494287 /nfs/dbraw/zinc/49/42/87/1127494287.db2.gz GWYVNNIXRNOMRJ-NSHDSACASA-N 1 2 336.844 3.581 20 0 EHADLO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(O)c1 ZINC000383484238 1127544553 /nfs/dbraw/zinc/54/45/53/1127544553.db2.gz PRQXEFAPYMJWSX-SNVBAGLBSA-N 1 2 329.787 3.545 20 0 EHADLO COc1ccc([C@H](C)OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000764893760 1127549059 /nfs/dbraw/zinc/54/90/59/1127549059.db2.gz YMTFGFOPGXUFJG-HOTGVXAUSA-N 1 2 339.435 3.746 20 0 EHADLO COc1ccc([C@H](C)OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000764893760 1127549062 /nfs/dbraw/zinc/54/90/62/1127549062.db2.gz YMTFGFOPGXUFJG-HOTGVXAUSA-N 1 2 339.435 3.746 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2nc(Cl)ccc2Cl)cc1 ZINC000764937369 1127556080 /nfs/dbraw/zinc/55/60/80/1127556080.db2.gz RRROHNCMRNFJBQ-UHFFFAOYSA-N 1 2 340.210 3.638 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2c(=O)sc3c2CC[C@@H](C)C3)n1 ZINC000765106822 1127573872 /nfs/dbraw/zinc/57/38/72/1127573872.db2.gz RECACLJNAXLSMP-CJNGLKHVSA-N 1 2 343.496 3.533 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2c(=O)sc3c2CC[C@@H](C)C3)n1 ZINC000765106822 1127573875 /nfs/dbraw/zinc/57/38/75/1127573875.db2.gz RECACLJNAXLSMP-CJNGLKHVSA-N 1 2 343.496 3.533 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000765316856 1127596193 /nfs/dbraw/zinc/59/61/93/1127596193.db2.gz XMGUCPHZCWFDLV-LQYUOIDQSA-N 1 2 344.455 3.806 20 0 EHADLO Cc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)s1 ZINC000010896314 1127634379 /nfs/dbraw/zinc/63/43/79/1127634379.db2.gz XAUIWOIFDBZCBJ-UHFFFAOYSA-N 1 2 327.409 3.843 20 0 EHADLO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000015452167 1127654711 /nfs/dbraw/zinc/65/47/11/1127654711.db2.gz FZCRBKKLPCMXHU-INIZCTEOSA-N 1 2 343.496 3.692 20 0 EHADLO CC1CCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000015452167 1127654714 /nfs/dbraw/zinc/65/47/14/1127654714.db2.gz FZCRBKKLPCMXHU-INIZCTEOSA-N 1 2 343.496 3.692 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000015551223 1127655057 /nfs/dbraw/zinc/65/50/57/1127655057.db2.gz RDKWBUIAKHRQQZ-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000015551223 1127655060 /nfs/dbraw/zinc/65/50/60/1127655060.db2.gz RDKWBUIAKHRQQZ-CYBMUJFWSA-N 1 2 332.831 3.808 20 0 EHADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000024049855 1127702068 /nfs/dbraw/zinc/70/20/68/1127702068.db2.gz CWXCREUPCKEKDJ-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000654709716 1127730348 /nfs/dbraw/zinc/73/03/48/1127730348.db2.gz AFNCIDZJKKEVMI-LBPRGKRZSA-N 1 2 340.418 3.513 20 0 EHADLO CO[C@@H](C[N@H+](C)Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000338548066 1127800258 /nfs/dbraw/zinc/80/02/58/1127800258.db2.gz VYZNETFUVDHPMR-FQEVSTJZSA-N 1 2 335.451 3.751 20 0 EHADLO CO[C@@H](C[N@@H+](C)Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000338548066 1127800263 /nfs/dbraw/zinc/80/02/63/1127800263.db2.gz VYZNETFUVDHPMR-FQEVSTJZSA-N 1 2 335.451 3.751 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000029913965 1127810767 /nfs/dbraw/zinc/81/07/67/1127810767.db2.gz TXMCHMYEKRBYOZ-UKRRQHHQSA-N 1 2 344.484 3.505 20 0 EHADLO O=C(CSc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029920434 1127811095 /nfs/dbraw/zinc/81/10/95/1127811095.db2.gz IWOHBILPZCKCLW-UHFFFAOYSA-N 1 2 327.384 3.742 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000265598896 1127815197 /nfs/dbraw/zinc/81/51/97/1127815197.db2.gz BXJWMPAJZGGHDM-STQMWFEESA-N 1 2 339.361 3.600 20 0 EHADLO CCc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)sc1C ZINC000030219580 1127816271 /nfs/dbraw/zinc/81/62/71/1127816271.db2.gz MLQOQTBSVATMSA-UHFFFAOYSA-N 1 2 339.464 3.794 20 0 EHADLO C[C@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CCC1=O ZINC000338573135 1127839984 /nfs/dbraw/zinc/83/99/84/1127839984.db2.gz ZZEJOVVGNMPFCG-LBPRGKRZSA-N 1 2 334.872 3.891 20 0 EHADLO C[C@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CCC1=O ZINC000338573135 1127839986 /nfs/dbraw/zinc/83/99/86/1127839986.db2.gz ZZEJOVVGNMPFCG-LBPRGKRZSA-N 1 2 334.872 3.891 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000031895830 1127842843 /nfs/dbraw/zinc/84/28/43/1127842843.db2.gz SMGDBQFISSIEJY-INIZCTEOSA-N 1 2 338.854 3.922 20 0 EHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2CCC2)cc1 ZINC000034946210 1127868695 /nfs/dbraw/zinc/86/86/95/1127868695.db2.gz LUVASODZGKGBRS-UHFFFAOYSA-N 1 2 341.455 3.501 20 0 EHADLO Cc1ccc2oc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000041305544 1127873882 /nfs/dbraw/zinc/87/38/82/1127873882.db2.gz KQMAIJZSMPEPHW-UHFFFAOYSA-N 1 2 334.419 3.699 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000042297685 1127889476 /nfs/dbraw/zinc/88/94/76/1127889476.db2.gz RDUHPJFWYBTDPR-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000042297685 1127889484 /nfs/dbraw/zinc/88/94/84/1127889484.db2.gz RDUHPJFWYBTDPR-AWEZNQCLSA-N 1 2 330.403 3.602 20 0 EHADLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000265664913 1127936463 /nfs/dbraw/zinc/93/64/63/1127936463.db2.gz YCMWZUCNNVITLH-CYBMUJFWSA-N 1 2 331.847 3.747 20 0 EHADLO CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045398826 1127951176 /nfs/dbraw/zinc/95/11/76/1127951176.db2.gz PHYVQQQRHYITNR-UHFFFAOYSA-N 1 2 335.407 3.543 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2c(c(Cl)c1)OCO2 ZINC000045860184 1127962291 /nfs/dbraw/zinc/96/22/91/1127962291.db2.gz IVOCNGVGWLSJEZ-UHFFFAOYSA-N 1 2 341.754 3.507 20 0 EHADLO CCCOc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046178907 1127971769 /nfs/dbraw/zinc/97/17/69/1127971769.db2.gz SXWKNDBXPKQIDV-UHFFFAOYSA-N 1 2 349.434 3.650 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1COCc1ccccc1 ZINC000351673477 1127978030 /nfs/dbraw/zinc/97/80/30/1127978030.db2.gz MPRANPSVTRQZBY-UHFFFAOYSA-N 1 2 335.407 3.698 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1COCc1ccccc1 ZINC000351673477 1127978034 /nfs/dbraw/zinc/97/80/34/1127978034.db2.gz MPRANPSVTRQZBY-UHFFFAOYSA-N 1 2 335.407 3.698 20 0 EHADLO c1ccc(OC2CCCC2)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212359948 1127980324 /nfs/dbraw/zinc/98/03/24/1127980324.db2.gz FHUYUTGXAKROIN-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc2c3c(cccc31)CC2 ZINC000046945091 1127995975 /nfs/dbraw/zinc/99/59/75/1127995975.db2.gz LLOZPMQVGXNPML-UHFFFAOYSA-N 1 2 346.434 3.957 20 0 EHADLO CC(C)c1csc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000047248930 1128004176 /nfs/dbraw/zinc/00/41/76/1128004176.db2.gz QQBWGBWKAMXKNB-UHFFFAOYSA-N 1 2 326.425 3.764 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC(C)(C)O1 ZINC000347496248 1128012405 /nfs/dbraw/zinc/01/24/05/1128012405.db2.gz DKJCFORGOGYOGL-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC(C)(C)O1 ZINC000347496248 1128012408 /nfs/dbraw/zinc/01/24/08/1128012408.db2.gz DKJCFORGOGYOGL-GFCCVEGCSA-N 1 2 349.272 3.997 20 0 EHADLO Clc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c2ccncc12 ZINC001212364866 1128030334 /nfs/dbraw/zinc/03/03/34/1128030334.db2.gz XAWQMTILOFHSFR-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO Clc1cnc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2c1 ZINC001212366446 1128040859 /nfs/dbraw/zinc/04/08/59/1128040859.db2.gz PFRPWKVAKUWCHW-UHFFFAOYSA-N 1 2 340.814 3.863 20 0 EHADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000057449841 1128049774 /nfs/dbraw/zinc/04/97/74/1128049774.db2.gz UWOBQHYHRMAHKM-HNNXBMFYSA-N 1 2 341.430 3.631 20 0 EHADLO CC1(C)CCc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc2O1 ZINC001212368465 1128058600 /nfs/dbraw/zinc/05/86/00/1128058600.db2.gz DQDAGWOEICFCFZ-UHFFFAOYSA-N 1 2 339.439 3.765 20 0 EHADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000282199792 1128062410 /nfs/dbraw/zinc/06/24/10/1128062410.db2.gz FQKPSWYXBRHVDZ-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000058604899 1128073767 /nfs/dbraw/zinc/07/37/67/1128073767.db2.gz CKMQWMIGKBEDKE-UHFFFAOYSA-N 1 2 327.428 3.988 20 0 EHADLO CCc1ccsc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282207800 1128074440 /nfs/dbraw/zinc/07/44/40/1128074440.db2.gz GFYGQIHTUBFBAS-HNNXBMFYSA-N 1 2 343.496 3.863 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000058958690 1128086359 /nfs/dbraw/zinc/08/63/59/1128086359.db2.gz BDXJYOAYPIDQDK-UHFFFAOYSA-N 1 2 342.483 3.882 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(C)cc2)c1C ZINC000058958085 1128086537 /nfs/dbraw/zinc/08/65/37/1128086537.db2.gz VBEVFMBWRKKALZ-UHFFFAOYSA-N 1 2 326.440 3.607 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(-n3cccc3)c2)c1C ZINC000058958314 1128086636 /nfs/dbraw/zinc/08/66/36/1128086636.db2.gz RSRNQGBBOSDYPR-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO O=C(CCCc1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000060502083 1128104363 /nfs/dbraw/zinc/10/43/63/1128104363.db2.gz FHYTXHXEOKMZEI-UHFFFAOYSA-N 1 2 333.435 3.571 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000061780408 1128128674 /nfs/dbraw/zinc/12/86/74/1128128674.db2.gz PGJKZCYMQYAZSJ-ZFWWWQNUSA-N 1 2 331.485 3.594 20 0 EHADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000061780408 1128128675 /nfs/dbraw/zinc/12/86/75/1128128675.db2.gz PGJKZCYMQYAZSJ-ZFWWWQNUSA-N 1 2 331.485 3.594 20 0 EHADLO c1cn(-c2csc(CNc3cnn(Cc4ccccc4)c3)c2)c[nH+]1 ZINC001649066293 1128128860 /nfs/dbraw/zinc/12/88/60/1128128860.db2.gz YDWMWEIWGBZDDH-UHFFFAOYSA-N 1 2 335.436 3.791 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cn(-c2ccccc2)nn1 ZINC000671753347 1128213985 /nfs/dbraw/zinc/21/39/85/1128213985.db2.gz LVASKBOBXAHMCW-CHWSQXEVSA-N 1 2 349.394 3.526 20 0 EHADLO CCO[C@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1=CCCC1 ZINC000073020370 1128313654 /nfs/dbraw/zinc/31/36/54/1128313654.db2.gz YGHBFKFOUTVTQR-GOSISDBHSA-N 1 2 325.412 3.716 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+]c2ccc(N3CCO[C@@H](C)C3)cc2)C1(C)C ZINC000765808406 1128416147 /nfs/dbraw/zinc/41/61/47/1128416147.db2.gz HKNMKIDPQKSFCX-ZYSHUDEJSA-N 1 2 332.488 3.916 20 0 EHADLO C[NH+](C)[C@H](c1nc(C2(c3cccc(F)c3)CC2)no1)c1ccccc1 ZINC000624669016 1128424597 /nfs/dbraw/zinc/42/45/97/1128424597.db2.gz VUNOJBNXGYPAKW-KRWDZBQOSA-N 1 2 337.398 3.940 20 0 EHADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cscc1Br)CO2 ZINC000352741977 1128434251 /nfs/dbraw/zinc/43/42/51/1128434251.db2.gz KOIFCFDNAGXMPA-LBPRGKRZSA-N 1 2 328.206 3.873 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnn4c3C[C@@H](C)CC4)cc2)[nH+]c1C ZINC000921656093 1128437430 /nfs/dbraw/zinc/43/74/30/1128437430.db2.gz QHNHUYGJILUNKG-LBPRGKRZSA-N 1 2 349.438 3.725 20 0 EHADLO CC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCO1 ZINC000921663870 1128441530 /nfs/dbraw/zinc/44/15/30/1128441530.db2.gz TWDIPCPTFYNBPG-RDJZCZTQSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@]34CCC[C@H]3OCC4)cc2)[nH+]c1C ZINC000921667829 1128447210 /nfs/dbraw/zinc/44/72/10/1128447210.db2.gz AFLXRIQBJSVYOL-APWZRJJASA-N 1 2 325.412 3.591 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)cc2)[nH+]c1C ZINC000921669156 1128448851 /nfs/dbraw/zinc/44/88/51/1128448851.db2.gz HPKXPBCISPQKML-ZWKOTPCHSA-N 1 2 339.439 3.695 20 0 EHADLO c1[nH+]c2cc(NCCOc3cccnc3)ccc2n1-c1ccccc1 ZINC001168617825 1128457578 /nfs/dbraw/zinc/45/75/78/1128457578.db2.gz OZWAPNJAZKGQFM-UHFFFAOYSA-N 1 2 330.391 3.911 20 0 EHADLO Cc1ccc(S(=O)(=O)C[C@H](C)Nc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000186418772 1128461429 /nfs/dbraw/zinc/46/14/29/1128461429.db2.gz RTGMRJIBJGZHHF-INIZCTEOSA-N 1 2 346.496 3.644 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cn1C ZINC000347652114 1128517431 /nfs/dbraw/zinc/51/74/31/1128517431.db2.gz PWUNFXWVXTWMBE-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cn1C ZINC000347652114 1128517432 /nfs/dbraw/zinc/51/74/32/1128517432.db2.gz PWUNFXWVXTWMBE-LBPRGKRZSA-N 1 2 343.452 3.614 20 0 EHADLO COc1ccc([C@H]2CCN(c3[nH+]ccc4c(N)cccc43)C2)cc1F ZINC000624735880 1128543800 /nfs/dbraw/zinc/54/38/00/1128543800.db2.gz BUORAEDDHIMYLU-AWEZNQCLSA-N 1 2 337.398 3.959 20 0 EHADLO Cc1cnc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)s1 ZINC000542702581 1128545693 /nfs/dbraw/zinc/54/56/93/1128545693.db2.gz ZDHMMGMNQKKEHN-IHWYPQMZSA-N 1 2 335.423 3.565 20 0 EHADLO CC(C)CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000056629226 1128570971 /nfs/dbraw/zinc/57/09/71/1128570971.db2.gz WZKKIXAYFWEPMR-IAGOWNOFSA-N 1 2 347.503 3.806 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057376259 1128634457 /nfs/dbraw/zinc/63/44/57/1128634457.db2.gz KVTLPLNPVXBHGE-CQSZACIVSA-N 1 2 334.851 3.719 20 0 EHADLO Cc1nnc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)s1 ZINC000542811396 1128655733 /nfs/dbraw/zinc/65/57/33/1128655733.db2.gz MXWOAEXOCYDNTK-GFCCVEGCSA-N 1 2 342.237 3.525 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(C2(C)CCCC2)no1 ZINC000624759085 1128655867 /nfs/dbraw/zinc/65/58/67/1128655867.db2.gz KFFLOYKTFRAMTQ-UHFFFAOYSA-N 1 2 332.354 3.886 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586400 1128666381 /nfs/dbraw/zinc/66/63/81/1128666381.db2.gz GGMMQRNGMWOTND-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586400 1128666387 /nfs/dbraw/zinc/66/63/87/1128666387.db2.gz GGMMQRNGMWOTND-KGLIPLIRSA-N 1 2 328.378 3.905 20 0 EHADLO Cc1nn(C)c(C[NH2+]Cc2ccc(Br)cc2F)c1Cl ZINC000921724804 1128672324 /nfs/dbraw/zinc/67/23/24/1128672324.db2.gz GBSFNXILDACMJA-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(C)n1 ZINC000542852386 1128690606 /nfs/dbraw/zinc/69/06/06/1128690606.db2.gz AUMONEMROMMUKC-IBGZPJMESA-N 1 2 344.430 3.728 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(C)n1 ZINC000542852386 1128690608 /nfs/dbraw/zinc/69/06/08/1128690608.db2.gz AUMONEMROMMUKC-IBGZPJMESA-N 1 2 344.430 3.728 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 ZINC000073434381 1128767310 /nfs/dbraw/zinc/76/73/10/1128767310.db2.gz MTAHKIADZHHMHV-SFHVURJKSA-N 1 2 340.471 3.726 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@@H](O)c1c(F)cccc1Cl ZINC000921807752 1128780289 /nfs/dbraw/zinc/78/02/89/1128780289.db2.gz TXJNGEVDBHTRDS-QLJPJBMISA-N 1 2 340.826 3.976 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@H](O)c1c(F)cccc1Cl ZINC000921807747 1128780329 /nfs/dbraw/zinc/78/03/29/1128780329.db2.gz TXJNGEVDBHTRDS-HWPZZCPQSA-N 1 2 340.826 3.976 20 0 EHADLO CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672151063 1128805871 /nfs/dbraw/zinc/80/58/71/1128805871.db2.gz VATHVVCXECKAFA-MAUKXSAKSA-N 1 2 325.456 3.631 20 0 EHADLO FC(F)(F)CN1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672162724 1128824464 /nfs/dbraw/zinc/82/44/64/1128824464.db2.gz XHQSMHROAOSODC-UHFFFAOYSA-N 1 2 343.780 3.963 20 0 EHADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000542908937 1128830489 /nfs/dbraw/zinc/83/04/89/1128830489.db2.gz HRTJVBUFGMYVPO-GOSISDBHSA-N 1 2 326.371 3.612 20 0 EHADLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000075410444 1128858711 /nfs/dbraw/zinc/85/87/11/1128858711.db2.gz WIDPOUQGEMVIQQ-UHFFFAOYSA-N 1 2 330.457 3.764 20 0 EHADLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(C)C)cs1 ZINC000063653242 1128891178 /nfs/dbraw/zinc/89/11/78/1128891178.db2.gz JLCBIAICQPMCQL-MRXNPFEDSA-N 1 2 348.512 3.701 20 0 EHADLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(C)C)cs1 ZINC000063653242 1128891182 /nfs/dbraw/zinc/89/11/82/1128891182.db2.gz JLCBIAICQPMCQL-MRXNPFEDSA-N 1 2 348.512 3.701 20 0 EHADLO C[C@@H](NC(=O)C[C@H](C)c1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129603218 1120148990 /nfs/dbraw/zinc/14/89/90/1120148990.db2.gz BRUHESSCLOETAB-JKSUJKDBSA-N 1 2 334.423 3.638 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C/C=C/c1ccccc1 ZINC000008092845 1128902373 /nfs/dbraw/zinc/90/23/73/1128902373.db2.gz UHWSTOKEZAJXEQ-RMKNXTFCSA-N 1 2 344.842 3.932 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C/C=C/c1ccccc1 ZINC000008092845 1128902376 /nfs/dbraw/zinc/90/23/76/1128902376.db2.gz UHWSTOKEZAJXEQ-RMKNXTFCSA-N 1 2 344.842 3.932 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(Br)c1 ZINC000008119210 1128903762 /nfs/dbraw/zinc/90/37/62/1128903762.db2.gz BMILMQMULZPYFF-ZDUSSCGKSA-N 1 2 339.277 3.961 20 0 EHADLO C[C@H](CCc1ccccc1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105071390 1120314573 /nfs/dbraw/zinc/31/45/73/1120314573.db2.gz FAUQUGSUQBFGKO-QGZVFWFLSA-N 1 2 340.471 3.594 20 0 EHADLO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc(-n3cc[nH+]c3)c1)CO2 ZINC000185242954 1120405469 /nfs/dbraw/zinc/40/54/69/1120405469.db2.gz HSJIEYCYGPWKIY-SFHVURJKSA-N 1 2 333.391 3.604 20 0 EHADLO CC(C)C[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185244293 1120406142 /nfs/dbraw/zinc/40/61/42/1120406142.db2.gz MNIPUXOAGWOTKU-YESZJQIVSA-N 1 2 332.488 3.917 20 0 EHADLO CC(C)C[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185244293 1120406145 /nfs/dbraw/zinc/40/61/45/1120406145.db2.gz MNIPUXOAGWOTKU-YESZJQIVSA-N 1 2 332.488 3.917 20 0 EHADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2-c1ccccc1 ZINC000185660420 1120423644 /nfs/dbraw/zinc/42/36/44/1120423644.db2.gz PCITYGOZUROVPI-QGZVFWFLSA-N 1 2 343.430 3.702 20 0 EHADLO COCC1=CC[N@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000185821539 1120430374 /nfs/dbraw/zinc/43/03/74/1120430374.db2.gz RXOBWUDVCPCZKI-UHFFFAOYSA-N 1 2 330.653 3.881 20 0 EHADLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000186937582 1120480931 /nfs/dbraw/zinc/48/09/31/1120480931.db2.gz DIPCRUBYVGGXAM-ZDUSSCGKSA-N 1 2 326.843 3.730 20 0 EHADLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000186937582 1120480935 /nfs/dbraw/zinc/48/09/35/1120480935.db2.gz DIPCRUBYVGGXAM-ZDUSSCGKSA-N 1 2 326.843 3.730 20 0 EHADLO C[C@@H](NC(=O)N1CCCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470838 1128922723 /nfs/dbraw/zinc/92/27/23/1128922723.db2.gz VFBXUGVPHUABQO-JKSUJKDBSA-N 1 2 326.444 3.907 20 0 EHADLO CCc1cc(C(=O)NCCc2cn(C)c[nH+]2)sc1-c1ccccc1 ZINC000653875434 1120555034 /nfs/dbraw/zinc/55/50/34/1120555034.db2.gz VUADRBKGCXYWBY-UHFFFAOYSA-N 1 2 339.464 3.684 20 0 EHADLO O=C(NCc1ccc(Cl)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189343471 1120578922 /nfs/dbraw/zinc/57/89/22/1120578922.db2.gz DUWMOUQZIBLFIF-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO COc1c(C)c[nH+]c(CSCCOCC(F)(F)C(F)F)c1C ZINC000190059372 1120623313 /nfs/dbraw/zinc/62/33/13/1120623313.db2.gz PNWIPINOMXFZAN-UHFFFAOYSA-N 1 2 341.370 3.857 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000494622326 1120701838 /nfs/dbraw/zinc/70/18/38/1120701838.db2.gz ASKSVFTWQKGOKK-ZDUSSCGKSA-N 1 2 349.843 3.583 20 0 EHADLO CN(C)c1cccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000338772413 1128937959 /nfs/dbraw/zinc/93/79/59/1128937959.db2.gz WWTIYJLJLMOLEX-UHFFFAOYSA-N 1 2 334.423 3.510 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000494627319 1120706529 /nfs/dbraw/zinc/70/65/29/1120706529.db2.gz YCDIUURRUFLRKS-UKRRQHHQSA-N 1 2 343.452 3.799 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000494636813 1120709636 /nfs/dbraw/zinc/70/96/36/1120709636.db2.gz MDZFOUGFFFSIDJ-HIFRSBDPSA-N 1 2 343.452 3.799 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000192251560 1120727919 /nfs/dbraw/zinc/72/79/19/1120727919.db2.gz DSPCECAKDLMLGF-UHFFFAOYSA-N 1 2 343.515 3.901 20 0 EHADLO CC(C)c1cnc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000192397202 1120734494 /nfs/dbraw/zinc/73/44/94/1120734494.db2.gz JZTPWCPFSLHDGX-UHFFFAOYSA-N 1 2 341.440 3.774 20 0 EHADLO COc1cc(SC)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193253103 1120766983 /nfs/dbraw/zinc/76/69/83/1120766983.db2.gz XQQOLARDRLIBAY-UHFFFAOYSA-N 1 2 339.420 3.855 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(-c2cccs2)on1 ZINC000193367803 1120773494 /nfs/dbraw/zinc/77/34/94/1120773494.db2.gz XEONXXLCGYZIEB-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)C(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000494824743 1120874736 /nfs/dbraw/zinc/87/47/36/1120874736.db2.gz UGXQYYOBIJODOX-KBPBESRZSA-N 1 2 348.397 3.620 20 0 EHADLO COC[C@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000542517395 1120880404 /nfs/dbraw/zinc/88/04/04/1120880404.db2.gz HVXMUGYQGDCNFF-SFHVURJKSA-N 1 2 325.456 3.742 20 0 EHADLO CC(C)(C)[C@H]([NH2+]C[C@H](O)CC1CCCC1)C(=O)OCc1ccccc1 ZINC001168473298 1120894173 /nfs/dbraw/zinc/89/41/73/1120894173.db2.gz BXWIFPWRLQWDAH-RTBURBONSA-N 1 2 347.499 3.675 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1=O ZINC000914566804 1120902522 /nfs/dbraw/zinc/90/25/22/1120902522.db2.gz HZBXAQHRDQZSRG-INIZCTEOSA-N 1 2 341.842 3.788 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1=O ZINC000914566804 1120902526 /nfs/dbraw/zinc/90/25/26/1120902526.db2.gz HZBXAQHRDQZSRG-INIZCTEOSA-N 1 2 341.842 3.788 20 0 EHADLO CC(C)[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000153294743 1120942383 /nfs/dbraw/zinc/94/23/83/1120942383.db2.gz PPOZMOLQPOLQCN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000153294743 1120942387 /nfs/dbraw/zinc/94/23/87/1120942387.db2.gz PPOZMOLQPOLQCN-HNNXBMFYSA-N 1 2 345.516 3.729 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000495076271 1120945624 /nfs/dbraw/zinc/94/56/24/1120945624.db2.gz YLAHPWCQBGXSNW-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000495076271 1120945626 /nfs/dbraw/zinc/94/56/26/1120945626.db2.gz YLAHPWCQBGXSNW-GFCCVEGCSA-N 1 2 334.441 3.567 20 0 EHADLO CCCNc1nc(N[C@H](c2ccccn2)C(F)(F)F)[nH+]cc1C ZINC001168477652 1120958177 /nfs/dbraw/zinc/95/81/77/1120958177.db2.gz IUHMETLYDRFSLW-GFCCVEGCSA-N 1 2 325.338 3.717 20 0 EHADLO COc1ccc(-c2cc(C[N@H+](C)Cc3c(C)noc3C)on2)cc1 ZINC000914770889 1120980747 /nfs/dbraw/zinc/98/07/47/1120980747.db2.gz UITAQKMATZUNGJ-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO COc1ccc(-c2cc(C[N@@H+](C)Cc3c(C)noc3C)on2)cc1 ZINC000914770889 1120980750 /nfs/dbraw/zinc/98/07/50/1120980750.db2.gz UITAQKMATZUNGJ-UHFFFAOYSA-N 1 2 327.384 3.587 20 0 EHADLO CCCC[N@H+](Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1CC1 ZINC000914783728 1120984621 /nfs/dbraw/zinc/98/46/21/1120984621.db2.gz DEILVKYKKFUYHQ-UHFFFAOYSA-N 1 2 334.464 3.979 20 0 EHADLO CCCC[N@@H+](Cn1nc(-c2ccc(F)cc2)n(C)c1=S)C1CC1 ZINC000914783728 1120984624 /nfs/dbraw/zinc/98/46/24/1120984624.db2.gz DEILVKYKKFUYHQ-UHFFFAOYSA-N 1 2 334.464 3.979 20 0 EHADLO CCCCCCOCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000761890333 1121003483 /nfs/dbraw/zinc/00/34/83/1121003483.db2.gz JQZQCPBNYSZTRX-UHFFFAOYSA-N 1 2 328.416 3.713 20 0 EHADLO Cc1occc1-c1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1C ZINC000762140904 1121128289 /nfs/dbraw/zinc/12/82/89/1121128289.db2.gz WZCPEJHTLNNGBQ-LBPRGKRZSA-N 1 2 332.473 3.742 20 0 EHADLO Cc1occc1-c1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(=S)n1C ZINC000762140904 1121128291 /nfs/dbraw/zinc/12/82/91/1121128291.db2.gz WZCPEJHTLNNGBQ-LBPRGKRZSA-N 1 2 332.473 3.742 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000542556224 1121153596 /nfs/dbraw/zinc/15/35/96/1121153596.db2.gz BGVCKVCDTWINAM-AEFFLSMTSA-N 1 2 344.455 3.919 20 0 EHADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=O)c2ccccc12 ZINC000915209950 1121254984 /nfs/dbraw/zinc/25/49/84/1121254984.db2.gz QWIFKLGSCPIBLA-ZSZQSSIHSA-N 1 2 325.456 3.563 20 0 EHADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=O)c2ccccc12 ZINC000915209950 1121254990 /nfs/dbraw/zinc/25/49/90/1121254990.db2.gz QWIFKLGSCPIBLA-ZSZQSSIHSA-N 1 2 325.456 3.563 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSC[C@@H]1CC2(CC2)C(=O)O1 ZINC000762408718 1121287567 /nfs/dbraw/zinc/28/75/67/1121287567.db2.gz SKSQYQRGTKOZMB-INIZCTEOSA-N 1 2 328.437 3.510 20 0 EHADLO CCc1nc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cs1 ZINC000495689311 1121358885 /nfs/dbraw/zinc/35/88/85/1121358885.db2.gz XYASSXFZFVFLTQ-CHWSQXEVSA-N 1 2 339.505 3.583 20 0 EHADLO CCc1nc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cs1 ZINC000495689311 1121358893 /nfs/dbraw/zinc/35/88/93/1121358893.db2.gz XYASSXFZFVFLTQ-CHWSQXEVSA-N 1 2 339.505 3.583 20 0 EHADLO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127366556 1121407146 /nfs/dbraw/zinc/40/71/46/1121407146.db2.gz ZIIOJVORITVMBH-MRXNPFEDSA-N 1 2 327.428 3.561 20 0 EHADLO O[C@H](C[N@H+](Cc1ccco1)Cc1cccnc1)c1ccc(F)cc1F ZINC000193614863 1121499366 /nfs/dbraw/zinc/49/93/66/1121499366.db2.gz COLZMPOMQBOFSK-LJQANCHMSA-N 1 2 344.361 3.689 20 0 EHADLO O[C@H](C[N@@H+](Cc1ccco1)Cc1cccnc1)c1ccc(F)cc1F ZINC000193614863 1121499370 /nfs/dbraw/zinc/49/93/70/1121499370.db2.gz COLZMPOMQBOFSK-LJQANCHMSA-N 1 2 344.361 3.689 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2cccc3[nH+]ccn32)c(OC)c1 ZINC001212459660 1128998114 /nfs/dbraw/zinc/99/81/14/1128998114.db2.gz KGUPGXUGEFIXIP-UHFFFAOYSA-N 1 2 338.411 3.569 20 0 EHADLO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000393501387 1121642182 /nfs/dbraw/zinc/64/21/82/1121642182.db2.gz JQCXSWFPZMMKLG-SECBINFHSA-N 1 2 326.897 3.987 20 0 EHADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccon2)CC1 ZINC000496127723 1121706885 /nfs/dbraw/zinc/70/68/85/1121706885.db2.gz YFPWUBWKFXOBED-INIZCTEOSA-N 1 2 349.475 3.532 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2ccc(F)cc2)c1C ZINC000055023700 1121788937 /nfs/dbraw/zinc/78/89/37/1121788937.db2.gz HQXLCJWBSFHYNP-CQSZACIVSA-N 1 2 344.430 3.719 20 0 EHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2ccc(F)cc2)c1C ZINC000055023700 1121788942 /nfs/dbraw/zinc/78/89/42/1121788942.db2.gz HQXLCJWBSFHYNP-CQSZACIVSA-N 1 2 344.430 3.719 20 0 EHADLO CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444136841 1121875039 /nfs/dbraw/zinc/87/50/39/1121875039.db2.gz YRUCAMDQUMHCAD-IAGOWNOFSA-N 1 2 334.508 3.916 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)CC1 ZINC000347465655 1121877969 /nfs/dbraw/zinc/87/79/69/1121877969.db2.gz PPYCEGYYXXHGCY-CQSZACIVSA-N 1 2 347.459 3.534 20 0 EHADLO Cc1ccc(F)cc1C1(c2noc(C[N@H+](C)[C@@H]3CCSC3)n2)CC1 ZINC000347465655 1121877979 /nfs/dbraw/zinc/87/79/79/1121877979.db2.gz PPYCEGYYXXHGCY-CQSZACIVSA-N 1 2 347.459 3.534 20 0 EHADLO C[C@@H](C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265641 1121879945 /nfs/dbraw/zinc/87/99/45/1121879945.db2.gz LZFHGUHHVYQSSE-SMDDNHRTSA-N 1 2 329.893 3.782 20 0 EHADLO C[C@@H](C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)(C)C ZINC000670265641 1121879950 /nfs/dbraw/zinc/87/99/50/1121879950.db2.gz LZFHGUHHVYQSSE-SMDDNHRTSA-N 1 2 329.893 3.782 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000763222949 1121911019 /nfs/dbraw/zinc/91/10/19/1121911019.db2.gz XLJUFGWQSMWSFU-ZBFHGGJFSA-N 1 2 349.544 3.867 20 0 EHADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@H](CC(C)C)CC1=O)CCC2 ZINC000763222949 1121911027 /nfs/dbraw/zinc/91/10/27/1121911027.db2.gz XLJUFGWQSMWSFU-ZBFHGGJFSA-N 1 2 349.544 3.867 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@H]3CCCCC[C@H]31)CCC2 ZINC000763222202 1121913651 /nfs/dbraw/zinc/91/36/51/1121913651.db2.gz VTESZFBGPGUANC-NUEKZKHPSA-N 1 2 347.528 3.763 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@H]3CCCCC[C@H]31)CCC2 ZINC000763222202 1121913658 /nfs/dbraw/zinc/91/36/58/1121913658.db2.gz VTESZFBGPGUANC-NUEKZKHPSA-N 1 2 347.528 3.763 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccn(C3CCCC3)n2)n1 ZINC000763294999 1121946139 /nfs/dbraw/zinc/94/61/39/1121946139.db2.gz ROLWJVIXHMWDTL-UHFFFAOYSA-N 1 2 347.488 3.549 20 0 EHADLO O=C1C[N@H+](Cn2ccc(=S)c3ccccc32)CN1Cc1ccccc1 ZINC000763314064 1121958447 /nfs/dbraw/zinc/95/84/47/1121958447.db2.gz WIOVRCHJJGACPK-UHFFFAOYSA-N 1 2 349.459 3.630 20 0 EHADLO O=C1C[N@@H+](Cn2ccc(=S)c3ccccc32)CN1Cc1ccccc1 ZINC000763314064 1121958455 /nfs/dbraw/zinc/95/84/55/1121958455.db2.gz WIOVRCHJJGACPK-UHFFFAOYSA-N 1 2 349.459 3.630 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333488 1121964749 /nfs/dbraw/zinc/96/47/49/1121964749.db2.gz UDEAYBFJXDZCKQ-WMLDXEAASA-N 1 2 328.485 3.713 20 0 EHADLO C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333488 1121964755 /nfs/dbraw/zinc/96/47/55/1121964755.db2.gz UDEAYBFJXDZCKQ-WMLDXEAASA-N 1 2 328.485 3.713 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763333323 1121966649 /nfs/dbraw/zinc/96/66/49/1121966649.db2.gz RWDUTSOGWHAZMO-AWEZNQCLSA-N 1 2 345.468 3.961 20 0 EHADLO CCOc1ccccc1-c1nn(C[N@H+]2CC[C@H](C3CC3)C2)c(=S)o1 ZINC000763333323 1121966654 /nfs/dbraw/zinc/96/66/54/1121966654.db2.gz RWDUTSOGWHAZMO-AWEZNQCLSA-N 1 2 345.468 3.961 20 0 EHADLO C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444199081 1121974120 /nfs/dbraw/zinc/97/41/20/1121974120.db2.gz UUPVDGOVBZTHQV-IXDOHACOSA-N 1 2 332.492 3.526 20 0 EHADLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(F)c(F)c1 ZINC000496634715 1122142218 /nfs/dbraw/zinc/14/22/18/1122142218.db2.gz XSJNYUCGSSKSOP-UHFFFAOYSA-N 1 2 349.381 3.997 20 0 EHADLO COC(=O)NCc1ccc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000496799787 1122182275 /nfs/dbraw/zinc/18/22/75/1122182275.db2.gz RHZSWARSMKABJX-UHFFFAOYSA-N 1 2 342.399 3.507 20 0 EHADLO Cc1nc(C[NH2+]Cc2ccc(OCC(F)F)cc2)nc2ccccc12 ZINC001649033419 1122227922 /nfs/dbraw/zinc/22/79/22/1122227922.db2.gz LJBBGQXDBVIJRC-UHFFFAOYSA-N 1 2 343.377 3.872 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000497018294 1122246966 /nfs/dbraw/zinc/24/69/66/1122246966.db2.gz PUKNLHSHGHTUFC-BXUZGUMPSA-N 1 2 325.478 3.502 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000497018294 1122246970 /nfs/dbraw/zinc/24/69/70/1122246970.db2.gz PUKNLHSHGHTUFC-BXUZGUMPSA-N 1 2 325.478 3.502 20 0 EHADLO c1ccc(Cc2nc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)no2)cc1 ZINC000124273018 1122279740 /nfs/dbraw/zinc/27/97/40/1122279740.db2.gz NGZMKJYUBGPWDG-IBGZPJMESA-N 1 2 333.435 3.725 20 0 EHADLO c1ccc(Cc2nc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)no2)cc1 ZINC000124273018 1122279743 /nfs/dbraw/zinc/27/97/43/1122279743.db2.gz NGZMKJYUBGPWDG-IBGZPJMESA-N 1 2 333.435 3.725 20 0 EHADLO Cc1cscc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000124529605 1122287129 /nfs/dbraw/zinc/28/71/29/1122287129.db2.gz FSXKZOHVKYSHOY-UHFFFAOYSA-N 1 2 326.425 3.623 20 0 EHADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3=CCCCC3)n2)c1 ZINC000125524258 1122319125 /nfs/dbraw/zinc/31/91/25/1122319125.db2.gz MGUZTIBPMJUNMV-UHFFFAOYSA-N 1 2 325.412 3.526 20 0 EHADLO CC(C)(CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000497078472 1122331425 /nfs/dbraw/zinc/33/14/25/1122331425.db2.gz FSWVVRIIJHITEX-UHFFFAOYSA-N 1 2 342.508 3.760 20 0 EHADLO Cc1ccc(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)nc1C ZINC000497242330 1122410851 /nfs/dbraw/zinc/41/08/51/1122410851.db2.gz AILUJTCHGSSZCE-UHFFFAOYSA-N 1 2 348.472 3.792 20 0 EHADLO C[C@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)n1cc[nH+]c1 ZINC000497299591 1122441959 /nfs/dbraw/zinc/44/19/59/1122441959.db2.gz KAVOPUBSILVFLL-CYBMUJFWSA-N 1 2 344.415 3.820 20 0 EHADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000126898832 1122451113 /nfs/dbraw/zinc/45/11/13/1122451113.db2.gz RZRUFYSCVPPNOL-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000126898832 1122451116 /nfs/dbraw/zinc/45/11/16/1122451116.db2.gz RZRUFYSCVPPNOL-ABAIWWIYSA-N 1 2 346.254 3.566 20 0 EHADLO COc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c2ccccc2n1 ZINC000127433511 1122484542 /nfs/dbraw/zinc/48/45/42/1122484542.db2.gz XSZMYNJREMGQKH-FQEVSTJZSA-N 1 2 344.418 3.846 20 0 EHADLO CCCCN(C(=O)NCCCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000127533202 1122491716 /nfs/dbraw/zinc/49/17/16/1122491716.db2.gz OTNNTGHCRTWNHX-QGZVFWFLSA-N 1 2 328.460 3.846 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCC(O)(C(F)(F)F)CC3)co2)cc1 ZINC000128040623 1122524829 /nfs/dbraw/zinc/52/48/29/1122524829.db2.gz VFZJJFXBHKABMF-UHFFFAOYSA-N 1 2 340.345 3.539 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000067694853 1122529344 /nfs/dbraw/zinc/52/93/44/1122529344.db2.gz KLJLGCWHXJCJSJ-HXUWFJFHSA-N 1 2 339.414 3.930 20 0 EHADLO CC(C)c1occc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282325648 1129061681 /nfs/dbraw/zinc/06/16/81/1129061681.db2.gz NSRPSEWXWGSCNT-HNNXBMFYSA-N 1 2 341.455 3.956 20 0 EHADLO O=C(NC1CCCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128277061 1122548425 /nfs/dbraw/zinc/54/84/25/1122548425.db2.gz XJIHKWLGTLRIAF-OALUTQOASA-N 1 2 338.455 3.744 20 0 EHADLO CC(C)[C@H](C)[N@H+](C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430339 1122606696 /nfs/dbraw/zinc/60/66/96/1122606696.db2.gz IALSNKHYUAZKJB-HNNXBMFYSA-N 1 2 336.435 3.817 20 0 EHADLO CC(C)[C@H](C)[N@@H+](C)CN1c2ccc(-c3ccccc3)cc2C(=O)C1=O ZINC000917430339 1122606699 /nfs/dbraw/zinc/60/66/99/1122606699.db2.gz IALSNKHYUAZKJB-HNNXBMFYSA-N 1 2 336.435 3.817 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000497605780 1122607231 /nfs/dbraw/zinc/60/72/31/1122607231.db2.gz QPUVDNDGLCCVAL-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000917487913 1122618812 /nfs/dbraw/zinc/61/88/12/1122618812.db2.gz VZIJQNIYKPQECD-KRWDZBQOSA-N 1 2 344.430 3.630 20 0 EHADLO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000917487913 1122618815 /nfs/dbraw/zinc/61/88/15/1122618815.db2.gz VZIJQNIYKPQECD-KRWDZBQOSA-N 1 2 344.430 3.630 20 0 EHADLO Cc1cc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(Cl)cc1F ZINC000672777306 1129070756 /nfs/dbraw/zinc/07/07/56/1129070756.db2.gz AYWRTRRPQVBTTH-UHFFFAOYSA-N 1 2 347.821 3.925 20 0 EHADLO Cc1oncc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000129378895 1122770515 /nfs/dbraw/zinc/77/05/15/1122770515.db2.gz GTJSKUXMWBTKJB-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO Cc1oncc1C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000129378895 1122770519 /nfs/dbraw/zinc/77/05/19/1122770519.db2.gz GTJSKUXMWBTKJB-UHFFFAOYSA-N 1 2 327.247 3.972 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000918382546 1122796652 /nfs/dbraw/zinc/79/66/52/1122796652.db2.gz IKWLZERZUXMPDZ-UHFFFAOYSA-N 1 2 331.419 3.665 20 0 EHADLO CCCCc1nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)no1 ZINC000069683130 1122811577 /nfs/dbraw/zinc/81/15/77/1122811577.db2.gz JTUWIBWXKRRKJD-INIZCTEOSA-N 1 2 329.444 3.628 20 0 EHADLO CCCCc1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)no1 ZINC000069683130 1122811583 /nfs/dbraw/zinc/81/15/83/1122811583.db2.gz JTUWIBWXKRRKJD-INIZCTEOSA-N 1 2 329.444 3.628 20 0 EHADLO CC[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000129820058 1122849109 /nfs/dbraw/zinc/84/91/09/1122849109.db2.gz PWXCOZJGPNXRED-ZGBFETHSSA-N 1 2 346.434 3.890 20 0 EHADLO CC(C)c1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000130069772 1122878315 /nfs/dbraw/zinc/87/83/15/1122878315.db2.gz YZQURMYZEFXLCK-UHFFFAOYSA-N 1 2 330.388 3.844 20 0 EHADLO O=C(c1cccs1)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000130324740 1122935770 /nfs/dbraw/zinc/93/57/70/1122935770.db2.gz GDXFGMAVKOVNRV-QGZVFWFLSA-N 1 2 344.455 3.723 20 0 EHADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483417 1122939576 /nfs/dbraw/zinc/93/95/76/1122939576.db2.gz JUEUQMCFXNGNNP-CZUORRHYSA-N 1 2 340.870 3.852 20 0 EHADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000498483417 1122939577 /nfs/dbraw/zinc/93/95/77/1122939577.db2.gz JUEUQMCFXNGNNP-CZUORRHYSA-N 1 2 340.870 3.852 20 0 EHADLO Nc1cc(COC(=O)[C@H](OCC2CCCC2)c2ccccc2)cc[nH+]1 ZINC000923761146 1122994072 /nfs/dbraw/zinc/99/40/72/1122994072.db2.gz PHHVVVOXXXKRDC-LJQANCHMSA-N 1 2 340.423 3.655 20 0 EHADLO O=C(/C=C\c1ccsc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000919502500 1123071867 /nfs/dbraw/zinc/07/18/67/1123071867.db2.gz ZRSWOYWUJNDTOF-KNOZVELGSA-N 1 2 338.476 3.619 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000556689470 1123084306 /nfs/dbraw/zinc/08/43/06/1123084306.db2.gz ZEKIOYXIEQIWNB-GOEBONIOSA-N 1 2 331.847 3.757 20 0 EHADLO CCN(C(=O)C[NH2+]C(C)(C)c1nccs1)[C@@H](C)c1ccc(F)cc1 ZINC000072662494 1123138698 /nfs/dbraw/zinc/13/86/98/1123138698.db2.gz BOCUYYVEUOZLEH-ZDUSSCGKSA-N 1 2 349.475 3.717 20 0 EHADLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000556839623 1123144925 /nfs/dbraw/zinc/14/49/25/1123144925.db2.gz NKHACRHYKRCBTH-GNXNZQSNSA-N 1 2 335.245 3.787 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)cs1 ZINC000556848783 1123148977 /nfs/dbraw/zinc/14/89/77/1123148977.db2.gz WUKCEEAYQVHUTD-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)cs1 ZINC000556848783 1123148979 /nfs/dbraw/zinc/14/89/79/1123148979.db2.gz WUKCEEAYQVHUTD-CJNGLKHVSA-N 1 2 330.453 3.903 20 0 EHADLO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000132121593 1123202912 /nfs/dbraw/zinc/20/29/12/1123202912.db2.gz OPFDOBNVFYHEIU-INIZCTEOSA-N 1 2 334.851 3.719 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)cc1 ZINC000499254003 1123304735 /nfs/dbraw/zinc/30/47/35/1123304735.db2.gz IXMAHBYBVYVJHC-GOSISDBHSA-N 1 2 349.377 3.740 20 0 EHADLO FC(F)Oc1ccc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)cc1 ZINC000499254003 1123304737 /nfs/dbraw/zinc/30/47/37/1123304737.db2.gz IXMAHBYBVYVJHC-GOSISDBHSA-N 1 2 349.377 3.740 20 0 EHADLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(COc3ccccc3)c2)n1 ZINC000922113956 1129118483 /nfs/dbraw/zinc/11/84/83/1129118483.db2.gz OQWUETYYFBXFAV-UHFFFAOYSA-N 1 2 337.423 3.982 20 0 EHADLO CN1CCCc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000920815695 1123427058 /nfs/dbraw/zinc/42/70/58/1123427058.db2.gz FWSHYPCURIPWEO-UHFFFAOYSA-N 1 2 346.434 3.566 20 0 EHADLO CCC1CCC([N@H+](C)Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000921047141 1123458755 /nfs/dbraw/zinc/45/87/55/1123458755.db2.gz WBFLMAXBGNKLBY-UHFFFAOYSA-N 1 2 331.489 3.656 20 0 EHADLO CCC1CCC([N@@H+](C)Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000921047141 1123458757 /nfs/dbraw/zinc/45/87/57/1123458757.db2.gz WBFLMAXBGNKLBY-UHFFFAOYSA-N 1 2 331.489 3.656 20 0 EHADLO Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc[nH+]1 ZINC000134394857 1123520478 /nfs/dbraw/zinc/52/04/78/1123520478.db2.gz NLXLYSOGKWLZPD-UHFFFAOYSA-N 1 2 331.375 3.895 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000174955154 1123561920 /nfs/dbraw/zinc/56/19/20/1123561920.db2.gz UCSHRLMMBGFJGJ-UONOGXRCSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000174955154 1123561922 /nfs/dbraw/zinc/56/19/22/1123561922.db2.gz UCSHRLMMBGFJGJ-UONOGXRCSA-N 1 2 328.485 3.968 20 0 EHADLO Cc1ccccc1SCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000064441025 1123618605 /nfs/dbraw/zinc/61/86/05/1123618605.db2.gz GOKUWOSAZOQDPW-INIZCTEOSA-N 1 2 331.485 3.515 20 0 EHADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484706 1123635965 /nfs/dbraw/zinc/63/59/65/1123635965.db2.gz WPVMLCOZPZGTKY-LSDHHAIUSA-N 1 2 335.398 3.956 20 0 EHADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484706 1123635968 /nfs/dbraw/zinc/63/59/68/1123635968.db2.gz WPVMLCOZPZGTKY-LSDHHAIUSA-N 1 2 335.398 3.956 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170841572 1123657962 /nfs/dbraw/zinc/65/79/62/1123657962.db2.gz FAOJDSTVUAOHRY-CABCVRRESA-N 1 2 340.389 3.543 20 0 EHADLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170841572 1123657966 /nfs/dbraw/zinc/65/79/66/1123657966.db2.gz FAOJDSTVUAOHRY-CABCVRRESA-N 1 2 340.389 3.543 20 0 EHADLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](C)c1ccccc1 ZINC000609739057 1123658786 /nfs/dbraw/zinc/65/87/86/1123658786.db2.gz UTGJVRHAZUQWOU-CQSZACIVSA-N 1 2 333.378 3.744 20 0 EHADLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](C)c1ccccc1 ZINC000609739057 1123658787 /nfs/dbraw/zinc/65/87/87/1123658787.db2.gz UTGJVRHAZUQWOU-CQSZACIVSA-N 1 2 333.378 3.744 20 0 EHADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079217659 1123679016 /nfs/dbraw/zinc/67/90/16/1123679016.db2.gz OFUSMFONGXMUBY-UHFFFAOYSA-N 1 2 346.312 3.847 20 0 EHADLO Cc1[nH]ncc1C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000080342505 1123751514 /nfs/dbraw/zinc/75/15/14/1123751514.db2.gz KFGSELLCSSNEFW-UHFFFAOYSA-N 1 2 334.634 3.847 20 0 EHADLO CC(C)CCOCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000615347006 1123782853 /nfs/dbraw/zinc/78/28/53/1123782853.db2.gz AOIPEEFBHUUDSZ-UHFFFAOYSA-N 1 2 346.302 3.573 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000615454996 1123804008 /nfs/dbraw/zinc/80/40/08/1123804008.db2.gz PYCNIDBCADRFKA-AWEZNQCLSA-N 1 2 346.833 3.998 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1O ZINC000179684705 1123824247 /nfs/dbraw/zinc/82/42/47/1123824247.db2.gz FJHPWZVLECMERW-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1O ZINC000179684705 1123824254 /nfs/dbraw/zinc/82/42/54/1123824254.db2.gz FJHPWZVLECMERW-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543044071 1129154363 /nfs/dbraw/zinc/15/43/63/1129154363.db2.gz DUBPMEMYJNPKGJ-SAABIXHNSA-N 1 2 332.492 3.664 20 0 EHADLO CCc1ncsc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245747943 1123943900 /nfs/dbraw/zinc/94/39/00/1123943900.db2.gz ANRLMRBGUGMNNW-GJZGRUSLSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245747943 1123943903 /nfs/dbraw/zinc/94/39/03/1123943903.db2.gz ANRLMRBGUGMNNW-GJZGRUSLSA-N 1 2 349.887 3.534 20 0 EHADLO c1ccc(CCc2noc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000246085299 1124016225 /nfs/dbraw/zinc/01/62/25/1124016225.db2.gz FZNPRNUCQAEVTH-IAGOWNOFSA-N 1 2 343.496 3.715 20 0 EHADLO c1ccc(CCc2noc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000246085299 1124016231 /nfs/dbraw/zinc/01/62/31/1124016231.db2.gz FZNPRNUCQAEVTH-IAGOWNOFSA-N 1 2 343.496 3.715 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C ZINC000246137305 1124030350 /nfs/dbraw/zinc/03/03/50/1124030350.db2.gz RUNNQNUOBISBBK-HEHGZKQESA-N 1 2 349.452 3.959 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C ZINC000246137305 1124030357 /nfs/dbraw/zinc/03/03/57/1124030357.db2.gz RUNNQNUOBISBBK-HEHGZKQESA-N 1 2 349.452 3.959 20 0 EHADLO CC(C)COc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001212285850 1124032434 /nfs/dbraw/zinc/03/24/34/1124032434.db2.gz SDDWPSLDZPYFDF-UHFFFAOYSA-N 1 2 327.428 3.697 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000543051378 1129165119 /nfs/dbraw/zinc/16/51/19/1129165119.db2.gz CCBPALYDAJPTIY-ZDUSSCGKSA-N 1 2 340.402 3.992 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCCC34CCCCC4)[nH+]c12 ZINC000617105741 1124093970 /nfs/dbraw/zinc/09/39/70/1124093970.db2.gz QNLUJOHPYHFRJO-KRWDZBQOSA-N 1 2 325.456 3.804 20 0 EHADLO CSc1ccc(Cl)c(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000617360010 1124497188 /nfs/dbraw/zinc/49/71/88/1124497188.db2.gz LGPTVHKSPRAFOO-UHFFFAOYSA-N 1 2 335.860 3.776 20 0 EHADLO Cc1oncc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000238832925 1124537552 /nfs/dbraw/zinc/53/75/52/1124537552.db2.gz GIOXWAIBKZYNKQ-UHFFFAOYSA-N 1 2 326.227 3.612 20 0 EHADLO C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000617516328 1124621095 /nfs/dbraw/zinc/62/10/95/1124621095.db2.gz VNRVNPLDCKOXGB-GOSISDBHSA-N 1 2 331.847 3.620 20 0 EHADLO C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000617516328 1124621099 /nfs/dbraw/zinc/62/10/99/1124621099.db2.gz VNRVNPLDCKOXGB-GOSISDBHSA-N 1 2 331.847 3.620 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CCc4ccccc4C(C)(C)C3)ccn12 ZINC000617520888 1124624426 /nfs/dbraw/zinc/62/44/26/1124624426.db2.gz FLPIYEJPRJWKJL-UHFFFAOYSA-N 1 2 333.435 3.619 20 0 EHADLO C[C@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000734810759 1131279220 /nfs/dbraw/zinc/27/92/20/1131279220.db2.gz BYZOJQDAJFLNMI-PBHICJAKSA-N 1 2 331.435 3.747 20 0 EHADLO C[C@@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000734810761 1131279716 /nfs/dbraw/zinc/27/97/16/1131279716.db2.gz BYZOJQDAJFLNMI-WMLDXEAASA-N 1 2 331.435 3.747 20 0 EHADLO Cc1ccccc1SCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069390607 1124742360 /nfs/dbraw/zinc/74/23/60/1124742360.db2.gz HCMPLSSYMRRKEF-UHFFFAOYSA-N 1 2 337.448 3.589 20 0 EHADLO Cc1nc(C(C)C)sc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069392123 1124743082 /nfs/dbraw/zinc/74/30/82/1124743082.db2.gz WIGYJPYWEPXCDG-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)[C@@H](C)CO1 ZINC000249384724 1124753704 /nfs/dbraw/zinc/75/37/04/1124753704.db2.gz QYTVXRWNYXOIQZ-ZFWWWQNUSA-N 1 2 349.368 3.674 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)[C@@H](C)CO1 ZINC000249384724 1124753710 /nfs/dbraw/zinc/75/37/10/1124753710.db2.gz QYTVXRWNYXOIQZ-ZFWWWQNUSA-N 1 2 349.368 3.674 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C ZINC000091591954 1124989755 /nfs/dbraw/zinc/98/97/55/1124989755.db2.gz MFRFFJKMIPFHAT-MGPUTAFESA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C ZINC000091591954 1124989764 /nfs/dbraw/zinc/98/97/64/1124989764.db2.gz MFRFFJKMIPFHAT-MGPUTAFESA-N 1 2 343.423 3.683 20 0 EHADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(F)c(Br)c2)[C@@H](C)C1 ZINC001236850626 1125057990 /nfs/dbraw/zinc/05/79/90/1125057990.db2.gz GZUOJZIANNWPRW-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(Br)c2)[C@@H](C)C1 ZINC001236850626 1125057999 /nfs/dbraw/zinc/05/79/99/1125057999.db2.gz GZUOJZIANNWPRW-ONGXEEELSA-N 1 2 334.204 3.727 20 0 EHADLO FC(F)COc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735323461 1131332188 /nfs/dbraw/zinc/33/21/88/1131332188.db2.gz XMRLJSXOQPVPCH-UHFFFAOYSA-N 1 2 346.171 3.976 20 0 EHADLO Cc1cccnc1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000093158009 1125194128 /nfs/dbraw/zinc/19/41/28/1125194128.db2.gz OLHVYZPHYZQGBC-UHFFFAOYSA-N 1 2 329.875 3.751 20 0 EHADLO Cc1cccnc1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000093158009 1125194133 /nfs/dbraw/zinc/19/41/33/1125194133.db2.gz OLHVYZPHYZQGBC-UHFFFAOYSA-N 1 2 329.875 3.751 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)[nH+]c12 ZINC000619158789 1125295714 /nfs/dbraw/zinc/29/57/14/1125295714.db2.gz VDFVRPAQBGZXOS-DOTOQJQBSA-N 1 2 339.826 3.511 20 0 EHADLO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)CC(C)(C)C ZINC000619529056 1125358025 /nfs/dbraw/zinc/35/80/25/1125358025.db2.gz BYPCYNXZLKEPRH-KRWDZBQOSA-N 1 2 345.531 3.835 20 0 EHADLO CC(C)n1cccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255041662 1125366908 /nfs/dbraw/zinc/36/69/08/1125366908.db2.gz YRNXQCISZHDIOR-POHAHGRESA-N 1 2 337.467 3.540 20 0 EHADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152696503 1125370528 /nfs/dbraw/zinc/37/05/28/1125370528.db2.gz WYIMSSYYVAXAMP-WMZOPIPTSA-N 1 2 331.504 3.947 20 0 EHADLO COc1ccc([C@H](C)[C@@H](C)[NH2+]c2ccc(N(C)CCO)cc2)cc1 ZINC000182952794 1125404081 /nfs/dbraw/zinc/40/40/81/1125404081.db2.gz IPOPJNIQOZMJMG-HZPDHXFCSA-N 1 2 328.456 3.728 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)CC1 ZINC001272703220 1125417928 /nfs/dbraw/zinc/41/79/28/1125417928.db2.gz MZSRRHHAUAECEK-SHTZXODSSA-N 1 2 346.437 3.832 20 0 EHADLO CC[C@H]1CC[C@H](C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)CC1 ZINC001272703220 1125417929 /nfs/dbraw/zinc/41/79/29/1125417929.db2.gz MZSRRHHAUAECEK-SHTZXODSSA-N 1 2 346.437 3.832 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCC(F)CC1 ZINC000619955574 1125435763 /nfs/dbraw/zinc/43/57/63/1125435763.db2.gz LHQQCHTXCNZRLO-ZLPCBKJTSA-N 1 2 343.446 3.507 20 0 EHADLO Clc1cccc2c1CC[C@H]2N1CC[NH+](Cc2ccncc2)CC1 ZINC000153116545 1125436317 /nfs/dbraw/zinc/43/63/17/1125436317.db2.gz ORBDTJGKTSUNOT-LJQANCHMSA-N 1 2 327.859 3.540 20 0 EHADLO CCn1c(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)nc2ccccc21 ZINC000682166289 1129210613 /nfs/dbraw/zinc/21/06/13/1129210613.db2.gz DOVORDBGSLDCCQ-INIZCTEOSA-N 1 2 341.377 3.600 20 0 EHADLO CCn1c(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)nc2ccccc21 ZINC000682166289 1129210615 /nfs/dbraw/zinc/21/06/15/1129210615.db2.gz DOVORDBGSLDCCQ-INIZCTEOSA-N 1 2 341.377 3.600 20 0 EHADLO Cc1cccc([C@@H](C)NC(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000115858990 1129304392 /nfs/dbraw/zinc/30/43/92/1129304392.db2.gz KGFWCLJHXQFBKK-QGZVFWFLSA-N 1 2 340.471 3.951 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000670379288 1129335153 /nfs/dbraw/zinc/33/51/53/1129335153.db2.gz QPDALAOZGQGKHQ-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(c2cccc(Cl)c2)CC1 ZINC000068253965 1129355993 /nfs/dbraw/zinc/35/59/93/1129355993.db2.gz KNTCEWLSWRPQHE-UHFFFAOYSA-N 1 2 340.854 3.504 20 0 EHADLO Cc1cc2[nH]c(C(=O)NCCCCNc3cccc[nH+]3)cc2c(C)c1 ZINC000068422634 1129369365 /nfs/dbraw/zinc/36/93/65/1129369365.db2.gz XXEQKKIVCHZMKC-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000081317735 1129413193 /nfs/dbraw/zinc/41/31/93/1129413193.db2.gz ZSQZZAJUIUZNKA-HNNXBMFYSA-N 1 2 325.437 3.504 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000499769673 1129472299 /nfs/dbraw/zinc/47/22/99/1129472299.db2.gz BWWFQYXHKDEHSY-AEFFLSMTSA-N 1 2 333.428 3.765 20 0 EHADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000499769673 1129472303 /nfs/dbraw/zinc/47/23/03/1129472303.db2.gz BWWFQYXHKDEHSY-AEFFLSMTSA-N 1 2 333.428 3.765 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)cc1C ZINC000466493323 1129492392 /nfs/dbraw/zinc/49/23/92/1129492392.db2.gz QDXTUAYXGLMYLC-MRXNPFEDSA-N 1 2 343.496 3.514 20 0 EHADLO CCC[N@H+](Cc1ncc(Br)cc1Br)C1CC1 ZINC000543447411 1129494158 /nfs/dbraw/zinc/49/41/58/1129494158.db2.gz KXPMCFOQHVWWRT-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO CCC[N@@H+](Cc1ncc(Br)cc1Br)C1CC1 ZINC000543447411 1129494159 /nfs/dbraw/zinc/49/41/59/1129494159.db2.gz KXPMCFOQHVWWRT-UHFFFAOYSA-N 1 2 348.082 3.981 20 0 EHADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1sc(C)nc1C ZINC000172976936 1129499094 /nfs/dbraw/zinc/49/90/94/1129499094.db2.gz HZZMFCVCPCMNHW-UHFFFAOYSA-N 1 2 331.485 3.837 20 0 EHADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1sc(C)nc1C ZINC000172976936 1129499095 /nfs/dbraw/zinc/49/90/95/1129499095.db2.gz HZZMFCVCPCMNHW-UHFFFAOYSA-N 1 2 331.485 3.837 20 0 EHADLO FC(F)n1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000347718213 1129512776 /nfs/dbraw/zinc/51/27/76/1129512776.db2.gz KNXXIUWKQIUWOK-UHFFFAOYSA-N 1 2 346.425 3.553 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454631 1129516115 /nfs/dbraw/zinc/51/61/15/1129516115.db2.gz YHRNONDXPSMJTD-GUYCJALGSA-N 1 2 327.428 3.551 20 0 EHADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000158454631 1129516120 /nfs/dbraw/zinc/51/61/20/1129516120.db2.gz YHRNONDXPSMJTD-GUYCJALGSA-N 1 2 327.428 3.551 20 0 EHADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000543484976 1129518330 /nfs/dbraw/zinc/51/83/30/1129518330.db2.gz HJDGXKSROOUYNA-GOSISDBHSA-N 1 2 344.455 3.881 20 0 EHADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(Cl)s1 ZINC000018936076 1129547709 /nfs/dbraw/zinc/54/77/09/1129547709.db2.gz RWGPLMOUIGMYDY-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(Cl)s1 ZINC000018936076 1129547711 /nfs/dbraw/zinc/54/77/11/1129547711.db2.gz RWGPLMOUIGMYDY-UHFFFAOYSA-N 1 2 338.860 3.871 20 0 EHADLO COc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)ccc1SC ZINC000922527030 1129562620 /nfs/dbraw/zinc/56/26/20/1129562620.db2.gz VVOLLIBFGVLCMA-KSSFIOAISA-N 1 2 333.428 3.979 20 0 EHADLO COc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)ccc1SC ZINC000922527029 1129562808 /nfs/dbraw/zinc/56/28/08/1129562808.db2.gz VVOLLIBFGVLCMA-KDOFPFPSSA-N 1 2 333.428 3.979 20 0 EHADLO C[C@H]1CCC[C@H](OCCCCCC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922575666 1129577936 /nfs/dbraw/zinc/57/79/36/1129577936.db2.gz DEAALOZWMOMWDO-RDJZCZTQSA-N 1 2 334.460 3.863 20 0 EHADLO C[C@H]1CCC[C@H](OCCCCCC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922576610 1129578498 /nfs/dbraw/zinc/57/84/98/1129578498.db2.gz UTONLTDPHSHRJR-RDJZCZTQSA-N 1 2 334.460 3.863 20 0 EHADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922576611 1129578519 /nfs/dbraw/zinc/57/85/19/1129578519.db2.gz UTONLTDPHSHRJR-WBVHZDCISA-N 1 2 334.460 3.863 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1OC ZINC000922583537 1129583047 /nfs/dbraw/zinc/58/30/47/1129583047.db2.gz UVCUNWGMAJXFIR-IBGZPJMESA-N 1 2 341.455 3.905 20 0 EHADLO COc1ccc(F)c(N2CC[NH+](Cc3oc(C(C)C)nc3C)CC2)c1 ZINC000428940852 1129621829 /nfs/dbraw/zinc/62/18/29/1129621829.db2.gz GOYUHVIYQSNDAD-UHFFFAOYSA-N 1 2 347.434 3.576 20 0 EHADLO Cc1cc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)oc1C ZINC000282374014 1129666865 /nfs/dbraw/zinc/66/68/65/1129666865.db2.gz WTCPTOSNYUNUNM-JTQLQIEISA-N 1 2 338.333 3.809 20 0 EHADLO CCO[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000156099314 1129694827 /nfs/dbraw/zinc/69/48/27/1129694827.db2.gz QZSLZJYFWNJFNR-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO CCO[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000156099314 1129694829 /nfs/dbraw/zinc/69/48/29/1129694829.db2.gz QZSLZJYFWNJFNR-CYBMUJFWSA-N 1 2 328.243 3.642 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1coc(C2CCCC2)n1 ZINC000338889774 1129710996 /nfs/dbraw/zinc/71/09/96/1129710996.db2.gz ZBEAZGFLXSGXIR-UHFFFAOYSA-N 1 2 344.459 3.644 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nnc3[nH]c4ccccc4n32)c1C ZINC000735978310 1131392925 /nfs/dbraw/zinc/39/29/25/1131392925.db2.gz CFTINQBBTFHPRY-UHFFFAOYSA-N 1 2 339.424 3.523 20 0 EHADLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(O)ccc1Cl ZINC000625059335 1129719635 /nfs/dbraw/zinc/71/96/35/1129719635.db2.gz RZSXNGAOZGLSSU-UHFFFAOYSA-N 1 2 346.858 3.514 20 0 EHADLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(O)ccc1Cl ZINC000625059335 1129719638 /nfs/dbraw/zinc/71/96/38/1129719638.db2.gz RZSXNGAOZGLSSU-UHFFFAOYSA-N 1 2 346.858 3.514 20 0 EHADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625119523 1129738470 /nfs/dbraw/zinc/73/84/70/1129738470.db2.gz YDSAULMRYITQPA-MRXNPFEDSA-N 1 2 327.428 3.553 20 0 EHADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625119523 1129738472 /nfs/dbraw/zinc/73/84/72/1129738472.db2.gz YDSAULMRYITQPA-MRXNPFEDSA-N 1 2 327.428 3.553 20 0 EHADLO C[C@H](C(=O)OCc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000735958152 1131394686 /nfs/dbraw/zinc/39/46/86/1131394686.db2.gz FJZAHUGISUQZAG-CQSZACIVSA-N 1 2 329.827 3.830 20 0 EHADLO C[C@H](C(=O)OCc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000735958152 1131394689 /nfs/dbraw/zinc/39/46/89/1131394689.db2.gz FJZAHUGISUQZAG-CQSZACIVSA-N 1 2 329.827 3.830 20 0 EHADLO CCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673649001 1129754875 /nfs/dbraw/zinc/75/48/75/1129754875.db2.gz DNYFVFFGQWIMCP-AWEZNQCLSA-N 1 2 342.405 3.786 20 0 EHADLO COc1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc(OC)c1O ZINC000347785648 1129773026 /nfs/dbraw/zinc/77/30/26/1129773026.db2.gz NTKOOKDZQNZCQD-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO COc1cc(C[N@H+]2CCc3c(Cl)cccc3C2)cc(OC)c1O ZINC000347785648 1129773031 /nfs/dbraw/zinc/77/30/31/1129773031.db2.gz NTKOOKDZQNZCQD-UHFFFAOYSA-N 1 2 333.815 3.621 20 0 EHADLO Cc1ccc(CCC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000673723990 1129811781 /nfs/dbraw/zinc/81/17/81/1129811781.db2.gz ATTUSEAZYPZMAX-UHFFFAOYSA-N 1 2 335.451 3.551 20 0 EHADLO CCC[C@@H](C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673726003 1129813150 /nfs/dbraw/zinc/81/31/50/1129813150.db2.gz HJZDIZUBEWOZFO-LJQANCHMSA-N 1 2 335.451 3.885 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(Cl)cc3C)[nH+]c12 ZINC000673758713 1129834335 /nfs/dbraw/zinc/83/43/35/1129834335.db2.gz XZIORNQVHRQGBR-UHFFFAOYSA-N 1 2 342.830 3.969 20 0 EHADLO Cc1nc2ccccc2nc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483521651 1129839988 /nfs/dbraw/zinc/83/99/88/1129839988.db2.gz WRVSTVGWGSHXPI-UHFFFAOYSA-N 1 2 325.362 3.775 20 0 EHADLO Cc1nc2ccccc2nc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483521651 1129839992 /nfs/dbraw/zinc/83/99/92/1129839992.db2.gz WRVSTVGWGSHXPI-UHFFFAOYSA-N 1 2 325.362 3.775 20 0 EHADLO CC(C)C(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000429136131 1129846010 /nfs/dbraw/zinc/84/60/10/1129846010.db2.gz QKSMNTSMDUBLNA-UHFFFAOYSA-N 1 2 328.460 3.600 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cncc(F)c1 ZINC000429137367 1129853438 /nfs/dbraw/zinc/85/34/38/1129853438.db2.gz SQYDJYYEGQKONA-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cncc(F)c1 ZINC000429137367 1129853444 /nfs/dbraw/zinc/85/34/44/1129853444.db2.gz SQYDJYYEGQKONA-LBPRGKRZSA-N 1 2 337.801 3.724 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c(C)c1OC ZINC000347821981 1129878754 /nfs/dbraw/zinc/87/87/54/1129878754.db2.gz SQAXPWVOLOBSKS-UHFFFAOYSA-N 1 2 346.496 3.980 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c(C)c1OC ZINC000347821981 1129878760 /nfs/dbraw/zinc/87/87/60/1129878760.db2.gz SQAXPWVOLOBSKS-UHFFFAOYSA-N 1 2 346.496 3.980 20 0 EHADLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3Cl)C2)Oc2ccccc21 ZINC000625470045 1129893582 /nfs/dbraw/zinc/89/35/82/1129893582.db2.gz HDWIMMXMJJKAGQ-LJQANCHMSA-N 1 2 343.810 3.656 20 0 EHADLO O=C1C[C@@]2(CC[N@H+](Cc3cc(O)ccc3Cl)C2)Oc2ccccc21 ZINC000625470045 1129893587 /nfs/dbraw/zinc/89/35/87/1129893587.db2.gz HDWIMMXMJJKAGQ-LJQANCHMSA-N 1 2 343.810 3.656 20 0 EHADLO O=C(CSCc1ccc(F)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029919537 1129906481 /nfs/dbraw/zinc/90/64/81/1129906481.db2.gz YYGOTBYUDFPSRV-UHFFFAOYSA-N 1 2 341.411 3.883 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1nccc2ccccc21 ZINC000132703401 1129914938 /nfs/dbraw/zinc/91/49/38/1129914938.db2.gz AYKYCDMTWJGWPW-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008469 1129955602 /nfs/dbraw/zinc/95/56/02/1129955602.db2.gz BDLAFCRAFITWLD-UZLBHIALSA-N 1 2 340.442 3.628 20 0 EHADLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008469 1129955605 /nfs/dbraw/zinc/95/56/05/1129955605.db2.gz BDLAFCRAFITWLD-UZLBHIALSA-N 1 2 340.442 3.628 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625656933 1129970480 /nfs/dbraw/zinc/97/04/80/1129970480.db2.gz RRCFRBRKFUOBRJ-OAHLLOKOSA-N 1 2 334.414 3.592 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625656933 1129970484 /nfs/dbraw/zinc/97/04/84/1129970484.db2.gz RRCFRBRKFUOBRJ-OAHLLOKOSA-N 1 2 334.414 3.592 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000059334339 1129982385 /nfs/dbraw/zinc/98/23/85/1129982385.db2.gz MKYVPDYVTMJKOM-SNVBAGLBSA-N 1 2 334.769 3.544 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000059334339 1129982388 /nfs/dbraw/zinc/98/23/88/1129982388.db2.gz MKYVPDYVTMJKOM-SNVBAGLBSA-N 1 2 334.769 3.544 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1O ZINC000674266950 1130050649 /nfs/dbraw/zinc/05/06/49/1130050649.db2.gz TWFGTJLBUVLPBR-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1O ZINC000674266950 1130050657 /nfs/dbraw/zinc/05/06/57/1130050657.db2.gz TWFGTJLBUVLPBR-SFHVURJKSA-N 1 2 342.414 3.833 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674372037 1130077834 /nfs/dbraw/zinc/07/78/34/1130077834.db2.gz XGKXNNWLFJKYHT-WMLDXEAASA-N 1 2 342.468 3.578 20 0 EHADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001626099200 1130091542 /nfs/dbraw/zinc/09/15/42/1130091542.db2.gz KCJQDESSXWCTQI-HNNXBMFYSA-N 1 2 347.459 3.684 20 0 EHADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001626099200 1130091549 /nfs/dbraw/zinc/09/15/49/1130091549.db2.gz KCJQDESSXWCTQI-HNNXBMFYSA-N 1 2 347.459 3.684 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc3nsnc32)CCO1 ZINC000766075943 1130203430 /nfs/dbraw/zinc/20/34/30/1130203430.db2.gz NPQPCYWJWLMFMF-KRWDZBQOSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3nsnc32)CCO1 ZINC000766075943 1130203436 /nfs/dbraw/zinc/20/34/36/1130203436.db2.gz NPQPCYWJWLMFMF-KRWDZBQOSA-N 1 2 325.437 3.573 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000674856937 1130206420 /nfs/dbraw/zinc/20/64/20/1130206420.db2.gz ISLMJJRYQWZASW-SFHVURJKSA-N 1 2 349.438 3.537 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)[C@@H](c2ccccc2)CO1 ZINC000766080762 1130216841 /nfs/dbraw/zinc/21/68/41/1130216841.db2.gz IXRPAFJUISMVIS-CXAGYDPISA-N 1 2 325.437 3.653 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)[C@@H](c2ccccc2)CO1 ZINC000766080762 1130216845 /nfs/dbraw/zinc/21/68/45/1130216845.db2.gz IXRPAFJUISMVIS-CXAGYDPISA-N 1 2 325.437 3.653 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)[C@@H](c2ccccc2)CO1 ZINC000766080765 1130216916 /nfs/dbraw/zinc/21/69/16/1130216916.db2.gz IXRPAFJUISMVIS-SUMWQHHRSA-N 1 2 325.437 3.653 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)[C@@H](c2ccccc2)CO1 ZINC000766080765 1130216921 /nfs/dbraw/zinc/21/69/21/1130216921.db2.gz IXRPAFJUISMVIS-SUMWQHHRSA-N 1 2 325.437 3.653 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000674912739 1130222777 /nfs/dbraw/zinc/22/27/77/1130222777.db2.gz NUVPVYFYAMQQAU-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000674912739 1130222780 /nfs/dbraw/zinc/22/27/80/1130222780.db2.gz NUVPVYFYAMQQAU-UHFFFAOYSA-N 1 2 339.414 3.660 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133513 1130263941 /nfs/dbraw/zinc/26/39/41/1130263941.db2.gz CDSMTOHOOIISLV-AEFFLSMTSA-N 1 2 340.467 3.692 20 0 EHADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)c1cccc2ccccc21 ZINC000675133513 1130263946 /nfs/dbraw/zinc/26/39/46/1130263946.db2.gz CDSMTOHOOIISLV-AEFFLSMTSA-N 1 2 340.467 3.692 20 0 EHADLO CC(C)Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675258052 1130299032 /nfs/dbraw/zinc/29/90/32/1130299032.db2.gz QCCUYVYEHKLWMO-VQIMIIECSA-N 1 2 325.456 3.805 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)nnn1-c1ccc(C)cc1 ZINC000658242147 1130303983 /nfs/dbraw/zinc/30/39/83/1130303983.db2.gz XYCQAKJOFRJGNU-VBKZILBWSA-N 1 2 348.450 3.928 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc(C(C)C)n1)c1ccccc1 ZINC000766102499 1130305114 /nfs/dbraw/zinc/30/51/14/1130305114.db2.gz DMJREWLGBDYPGR-LJQANCHMSA-N 1 2 326.440 3.941 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc(C(C)C)n1)c1ccccc1 ZINC000766102499 1130305120 /nfs/dbraw/zinc/30/51/20/1130305120.db2.gz DMJREWLGBDYPGR-LJQANCHMSA-N 1 2 326.440 3.941 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1SC(F)(F)F ZINC000766108185 1130322122 /nfs/dbraw/zinc/32/21/22/1130322122.db2.gz HGAZEQZBQBZSFI-MNOVXSKESA-N 1 2 335.391 3.916 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1SC(F)(F)F ZINC000766108185 1130322128 /nfs/dbraw/zinc/32/21/28/1130322128.db2.gz HGAZEQZBQBZSFI-MNOVXSKESA-N 1 2 335.391 3.916 20 0 EHADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675452967 1130383501 /nfs/dbraw/zinc/38/35/01/1130383501.db2.gz SMTPMRXKWPCUOZ-GFCCVEGCSA-N 1 2 341.308 3.518 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000675644059 1130437547 /nfs/dbraw/zinc/43/75/47/1130437547.db2.gz STTUYINCPKKVLN-RDTXWAMCSA-N 1 2 329.444 3.923 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000675644059 1130437551 /nfs/dbraw/zinc/43/75/51/1130437551.db2.gz STTUYINCPKKVLN-RDTXWAMCSA-N 1 2 329.444 3.923 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000675906202 1130505876 /nfs/dbraw/zinc/50/58/76/1130505876.db2.gz PEFUHIQLJHUKKX-RZQQEMMASA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000675906202 1130505879 /nfs/dbraw/zinc/50/58/79/1130505879.db2.gz PEFUHIQLJHUKKX-RZQQEMMASA-N 1 2 340.467 3.516 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000675976445 1130514374 /nfs/dbraw/zinc/51/43/74/1130514374.db2.gz NYUNUJLETPEVMS-HNNXBMFYSA-N 1 2 348.450 3.606 20 0 EHADLO Cc1ccccc1-c1noc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000675976320 1130514616 /nfs/dbraw/zinc/51/46/16/1130514616.db2.gz HOHDYUBCXSNXCH-UHFFFAOYSA-N 1 2 345.406 3.521 20 0 EHADLO CCc1ccc([C@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676084985 1130529361 /nfs/dbraw/zinc/52/93/61/1130529361.db2.gz FMLZFUFQTJBOAR-CQSZACIVSA-N 1 2 340.427 3.914 20 0 EHADLO CCc1ccc([C@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)o1 ZINC000676084985 1130529368 /nfs/dbraw/zinc/52/93/68/1130529368.db2.gz FMLZFUFQTJBOAR-CQSZACIVSA-N 1 2 340.427 3.914 20 0 EHADLO Cc1cccc(Cc2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1 ZINC000706001206 1130550136 /nfs/dbraw/zinc/55/01/36/1130550136.db2.gz OHPKNWLCUAHJEU-HNAYVOBHSA-N 1 2 337.423 3.574 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000536023500 1130590786 /nfs/dbraw/zinc/59/07/86/1130590786.db2.gz QNILGOHZKXGJRM-KRWDZBQOSA-N 1 2 349.247 3.865 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000536023500 1130590790 /nfs/dbraw/zinc/59/07/90/1130590790.db2.gz QNILGOHZKXGJRM-KRWDZBQOSA-N 1 2 349.247 3.865 20 0 EHADLO CC[C@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000727824208 1130601080 /nfs/dbraw/zinc/60/10/80/1130601080.db2.gz OHJVGVGWXSLXTK-AWEZNQCLSA-N 1 2 329.473 3.643 20 0 EHADLO CC[C@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000727824208 1130601084 /nfs/dbraw/zinc/60/10/84/1130601084.db2.gz OHJVGVGWXSLXTK-AWEZNQCLSA-N 1 2 329.473 3.643 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000168207507 1130632436 /nfs/dbraw/zinc/63/24/36/1130632436.db2.gz OCHGPZNHBKMKIQ-PWSUYJOCSA-N 1 2 343.406 3.731 20 0 EHADLO COC(=O)CCN(c1[nH+]ccc2ccc(OC)cc21)C1CCCC1 ZINC001166596544 1130644017 /nfs/dbraw/zinc/64/40/17/1130644017.db2.gz OTMUHXBFJXJLGR-UHFFFAOYSA-N 1 2 328.412 3.556 20 0 EHADLO Cc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1C ZINC000729986344 1130662735 /nfs/dbraw/zinc/66/27/35/1130662735.db2.gz ZMDKFJICHKOKRW-UHFFFAOYSA-N 1 2 345.830 3.637 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729985322 1130662835 /nfs/dbraw/zinc/66/28/35/1130662835.db2.gz KZEKNTCXWRCATD-MRXNPFEDSA-N 1 2 328.485 3.661 20 0 EHADLO S=c1n(C2CC2)cnn1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729985322 1130662838 /nfs/dbraw/zinc/66/28/38/1130662838.db2.gz KZEKNTCXWRCATD-MRXNPFEDSA-N 1 2 328.485 3.661 20 0 EHADLO CN(C)c1nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000731206104 1130778567 /nfs/dbraw/zinc/77/85/67/1130778567.db2.gz GPZSKFYZZHZNDQ-OAHLLOKOSA-N 1 2 348.541 3.652 20 0 EHADLO CN(C)c1nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)s1 ZINC000731206104 1130778570 /nfs/dbraw/zinc/77/85/70/1130778570.db2.gz GPZSKFYZZHZNDQ-OAHLLOKOSA-N 1 2 348.541 3.652 20 0 EHADLO CN(C)c1nn(C[NH+]2CCC(C3CCCCC3)CC2)c(=S)s1 ZINC000731204695 1130778613 /nfs/dbraw/zinc/77/86/13/1130778613.db2.gz SBBDCRZBZKHGSO-UHFFFAOYSA-N 1 2 340.562 3.990 20 0 EHADLO CC(C)COc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000731366451 1130789130 /nfs/dbraw/zinc/78/91/30/1130789130.db2.gz RNFYCEMAPUCQRZ-UHFFFAOYSA-N 1 2 349.434 3.837 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000731445626 1130797945 /nfs/dbraw/zinc/79/79/45/1130797945.db2.gz OBSPTCHQCJBSMZ-UHFFFAOYSA-N 1 2 342.786 3.745 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000732190297 1130892521 /nfs/dbraw/zinc/89/25/21/1130892521.db2.gz BZFJOLLBBLDJAC-UHFFFAOYSA-N 1 2 345.516 3.881 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000732190297 1130892526 /nfs/dbraw/zinc/89/25/26/1130892526.db2.gz BZFJOLLBBLDJAC-UHFFFAOYSA-N 1 2 345.516 3.881 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)o1 ZINC000732203871 1130899898 /nfs/dbraw/zinc/89/98/98/1130899898.db2.gz KQISXPAQLMXEEB-PXAZEXFGSA-N 1 2 349.862 3.792 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732554127 1130935468 /nfs/dbraw/zinc/93/54/68/1130935468.db2.gz YKRSMMDXHQWXBX-APWZRJJASA-N 1 2 339.483 3.609 20 0 EHADLO CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732736810 1130951200 /nfs/dbraw/zinc/95/12/00/1130951200.db2.gz RYPSWOSYKKPUNU-LJQANCHMSA-N 1 2 333.435 3.757 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732988889 1130979152 /nfs/dbraw/zinc/97/91/52/1130979152.db2.gz KTFAEWQWBHMBPO-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732988889 1130979155 /nfs/dbraw/zinc/97/91/55/1130979155.db2.gz KTFAEWQWBHMBPO-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO CCCCn1nc(C)c(C[NH2+]Cc2cccc3c2OCCO3)c1Cl ZINC000733331902 1131028139 /nfs/dbraw/zinc/02/81/39/1131028139.db2.gz MQODZAIRZGNSOP-UHFFFAOYSA-N 1 2 349.862 3.706 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000734145021 1131204258 /nfs/dbraw/zinc/20/42/58/1131204258.db2.gz ITLRKKDZEZAVFZ-IBGZPJMESA-N 1 2 347.462 3.678 20 0 EHADLO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nc(C)c2ccccc2c1=O ZINC000734145021 1131204262 /nfs/dbraw/zinc/20/42/62/1131204262.db2.gz ITLRKKDZEZAVFZ-IBGZPJMESA-N 1 2 347.462 3.678 20 0 EHADLO CC[N@H+](Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S)C1CCC1 ZINC000738052911 1131460885 /nfs/dbraw/zinc/46/08/85/1131460885.db2.gz FVECKBXBCXDZTJ-UHFFFAOYSA-N 1 2 349.456 3.722 20 0 EHADLO CC[N@@H+](Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S)C1CCC1 ZINC000738052911 1131460887 /nfs/dbraw/zinc/46/08/87/1131460887.db2.gz FVECKBXBCXDZTJ-UHFFFAOYSA-N 1 2 349.456 3.722 20 0 EHADLO COc1ccc(-c2nn(C[N@@H+]3CCCCC[C@H]3C)c(=S)n2C)cc1 ZINC000738227126 1131464211 /nfs/dbraw/zinc/46/42/11/1131464211.db2.gz RTRPYKVTHLRUPN-CQSZACIVSA-N 1 2 346.500 3.849 20 0 EHADLO COc1ccc(-c2nn(C[N@H+]3CCCCC[C@H]3C)c(=S)n2C)cc1 ZINC000738227126 1131464213 /nfs/dbraw/zinc/46/42/13/1131464213.db2.gz RTRPYKVTHLRUPN-CQSZACIVSA-N 1 2 346.500 3.849 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738245978 1131466642 /nfs/dbraw/zinc/46/66/42/1131466642.db2.gz PVQFPPJSDJLEEL-MOPGFXCFSA-N 1 2 338.476 3.708 20 0 EHADLO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738245978 1131466647 /nfs/dbraw/zinc/46/66/47/1131466647.db2.gz PVQFPPJSDJLEEL-MOPGFXCFSA-N 1 2 338.476 3.708 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000738324968 1131468215 /nfs/dbraw/zinc/46/82/15/1131468215.db2.gz YDTDRABTKXZYRW-HNNXBMFYSA-N 1 2 346.430 3.931 20 0 EHADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000738324968 1131468218 /nfs/dbraw/zinc/46/82/18/1131468218.db2.gz YDTDRABTKXZYRW-HNNXBMFYSA-N 1 2 346.430 3.931 20 0 EHADLO COc1ccccc1CN(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000738951584 1131490861 /nfs/dbraw/zinc/49/08/61/1131490861.db2.gz YKFAIIUJSQBPJK-UHFFFAOYSA-N 1 2 336.395 3.539 20 0 EHADLO CC(C)CCCCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000740749605 1131541529 /nfs/dbraw/zinc/54/15/29/1131541529.db2.gz HGNFIZDUPWPIKQ-UHFFFAOYSA-N 1 2 346.515 3.855 20 0 EHADLO CC(C)c1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=S)n1Cc1ccco1 ZINC000740857750 1131549091 /nfs/dbraw/zinc/54/90/91/1131549091.db2.gz AYUIPPHUNVYRJI-KGLIPLIRSA-N 1 2 334.489 3.867 20 0 EHADLO CC(C)c1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=S)n1Cc1ccco1 ZINC000740857750 1131549094 /nfs/dbraw/zinc/54/90/94/1131549094.db2.gz AYUIPPHUNVYRJI-KGLIPLIRSA-N 1 2 334.489 3.867 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861163 1131554379 /nfs/dbraw/zinc/55/43/79/1131554379.db2.gz VACBZZYAQJHWPB-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000740861163 1131554383 /nfs/dbraw/zinc/55/43/83/1131554383.db2.gz VACBZZYAQJHWPB-NEPJUHHUSA-N 1 2 336.892 3.959 20 0 EHADLO CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000740909418 1131555113 /nfs/dbraw/zinc/55/51/13/1131555113.db2.gz CQYCETFEFZSNJO-WBVHZDCISA-N 1 2 326.444 3.640 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000740986842 1131563934 /nfs/dbraw/zinc/56/39/34/1131563934.db2.gz GVABKPHIBHBFNL-CABCVRRESA-N 1 2 327.399 3.877 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1cccc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000740986842 1131563941 /nfs/dbraw/zinc/56/39/41/1131563941.db2.gz GVABKPHIBHBFNL-CABCVRRESA-N 1 2 327.399 3.877 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1nc2ccccc2nc1C)c1ccccc1 ZINC000741150457 1131583556 /nfs/dbraw/zinc/58/35/56/1131583556.db2.gz GSGUEQGVQKHQIV-HXUWFJFHSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nc2ccccc2nc1C)c1ccccc1 ZINC000741150457 1131583561 /nfs/dbraw/zinc/58/35/61/1131583561.db2.gz GSGUEQGVQKHQIV-HXUWFJFHSA-N 1 2 349.434 3.674 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCCOc1ccccc1)c1ccccc1 ZINC000741149930 1131584064 /nfs/dbraw/zinc/58/40/64/1131584064.db2.gz WNANAQWSBZZYGR-LJQANCHMSA-N 1 2 327.424 3.692 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCCOc1ccccc1)c1ccccc1 ZINC000741149930 1131584069 /nfs/dbraw/zinc/58/40/69/1131584069.db2.gz WNANAQWSBZZYGR-LJQANCHMSA-N 1 2 327.424 3.692 20 0 EHADLO CCC/C(C)=C\C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000741982481 1131678480 /nfs/dbraw/zinc/67/84/80/1131678480.db2.gz SYZCKEMJADPYEY-NXVVXOECSA-N 1 2 329.488 3.584 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2Cc3ccccc3C[C@@H]2C)C1 ZINC000742159534 1131694808 /nfs/dbraw/zinc/69/48/08/1131694808.db2.gz QRWDNPRVCCFYFS-GJZGRUSLSA-N 1 2 342.508 3.829 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2Cc3ccccc3C[C@@H]2C)C1 ZINC000742159534 1131694811 /nfs/dbraw/zinc/69/48/11/1131694811.db2.gz QRWDNPRVCCFYFS-GJZGRUSLSA-N 1 2 342.508 3.829 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742235906 1131699178 /nfs/dbraw/zinc/69/91/78/1131699178.db2.gz VQTQWBKWNKUHRJ-UHFFFAOYSA-N 1 2 342.455 3.518 20 0 EHADLO CSc1ccc(C)c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742235906 1131699180 /nfs/dbraw/zinc/69/91/80/1131699180.db2.gz VQTQWBKWNKUHRJ-UHFFFAOYSA-N 1 2 342.455 3.518 20 0 EHADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000742468747 1131734102 /nfs/dbraw/zinc/73/41/02/1131734102.db2.gz IYUVMIVLQCUWQR-YOCVDRLZSA-N 1 2 338.451 3.549 20 0 EHADLO Cc1ccc([C@H](C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000742576266 1131753401 /nfs/dbraw/zinc/75/34/01/1131753401.db2.gz ZWSFLIDAGDILKM-HNNXBMFYSA-N 1 2 339.395 3.606 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(Oc4ccccc4)nc3)cc2)C1 ZINC001212665428 1131757897 /nfs/dbraw/zinc/75/78/97/1131757897.db2.gz NWIGUDBAJVUQEJ-UHFFFAOYSA-N 1 2 347.418 3.794 20 0 EHADLO O=C(/C=C/C1CC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660595 1131766649 /nfs/dbraw/zinc/76/66/49/1131766649.db2.gz ZSVQCOGQVUDLQB-WHWKNOJMSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(/C=C/C1CC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660595 1131766655 /nfs/dbraw/zinc/76/66/55/1131766655.db2.gz ZSVQCOGQVUDLQB-WHWKNOJMSA-N 1 2 336.838 3.526 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4ccncc4)cc3)cc2)C1 ZINC001212669433 1131773065 /nfs/dbraw/zinc/77/30/65/1131773065.db2.gz XGBOCLSNDDEDHY-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO CC(C)Oc1ccc(F)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672032 1131786852 /nfs/dbraw/zinc/78/68/52/1131786852.db2.gz BRRHEMSVCWAWNQ-UHFFFAOYSA-N 1 2 330.403 3.533 20 0 EHADLO CCOCc1cnc2n1CC[N@H+](C1CC(C)(C)OC(C)(C)C1)[C@@H]2C ZINC001172655833 1131803510 /nfs/dbraw/zinc/80/35/10/1131803510.db2.gz BRZHDKMVVJJCOA-CQSZACIVSA-N 1 2 335.492 3.532 20 0 EHADLO CCOCc1cnc2n1CC[N@@H+](C1CC(C)(C)OC(C)(C)C1)[C@@H]2C ZINC001172655833 1131803517 /nfs/dbraw/zinc/80/35/17/1131803517.db2.gz BRZHDKMVVJJCOA-CQSZACIVSA-N 1 2 335.492 3.532 20 0 EHADLO Clc1ccc2c(c1)C[C@H]([NH+]1CC3(CCN3Cc3ccccc3)C1)C2 ZINC001172722522 1131822977 /nfs/dbraw/zinc/82/29/77/1131822977.db2.gz WVRFACWXYFYPIZ-HXUWFJFHSA-N 1 2 338.882 3.768 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000743350005 1131906313 /nfs/dbraw/zinc/90/63/13/1131906313.db2.gz HPCYUIWPSNQPMJ-CYBMUJFWSA-N 1 2 336.838 3.599 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000743350005 1131906319 /nfs/dbraw/zinc/90/63/19/1131906319.db2.gz HPCYUIWPSNQPMJ-CYBMUJFWSA-N 1 2 336.838 3.599 20 0 EHADLO C[C@@H]1C(=O)N(C[N@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccccc1 ZINC000743349886 1131907044 /nfs/dbraw/zinc/90/70/44/1131907044.db2.gz WVFASYMXXQDAKL-KSSFIOAISA-N 1 2 326.465 3.890 20 0 EHADLO C[C@@H]1C(=O)N(C[N@@H+](Cc2cccs2)C2CC2)[C@@H]1c1ccccc1 ZINC000743349886 1131907048 /nfs/dbraw/zinc/90/70/48/1131907048.db2.gz WVFASYMXXQDAKL-KSSFIOAISA-N 1 2 326.465 3.890 20 0 EHADLO COCCn1c(C)c(C)n(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1=S ZINC000743389166 1131909174 /nfs/dbraw/zinc/90/91/74/1131909174.db2.gz IOVDIEKBKRAXGU-KRWDZBQOSA-N 1 2 349.475 3.826 20 0 EHADLO COCCn1c(C)c(C)n(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1=S ZINC000743389166 1131909179 /nfs/dbraw/zinc/90/91/79/1131909179.db2.gz IOVDIEKBKRAXGU-KRWDZBQOSA-N 1 2 349.475 3.826 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000743392308 1131910198 /nfs/dbraw/zinc/91/01/98/1131910198.db2.gz HAROTLKLUCAFMK-PXAZEXFGSA-N 1 2 328.799 3.898 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c3cc(Cl)ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000743392308 1131910203 /nfs/dbraw/zinc/91/02/03/1131910203.db2.gz HAROTLKLUCAFMK-PXAZEXFGSA-N 1 2 328.799 3.898 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2ccn(-c3cccc(OC)c3)c2=S)CCS1 ZINC000743399573 1131911181 /nfs/dbraw/zinc/91/11/81/1131911181.db2.gz CCCRFSWSEHHBNR-MRXNPFEDSA-N 1 2 349.525 3.802 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2ccn(-c3cccc(OC)c3)c2=S)CCS1 ZINC000743399573 1131911185 /nfs/dbraw/zinc/91/11/85/1131911185.db2.gz CCCRFSWSEHHBNR-MRXNPFEDSA-N 1 2 349.525 3.802 20 0 EHADLO COc1cccc(-n2ccn(C[NH+]3C[C@H](C)S[C@@H](C)C3)c2=S)c1 ZINC000743377133 1131912707 /nfs/dbraw/zinc/91/27/07/1131912707.db2.gz NCYFKAMSBFKEPG-KBPBESRZSA-N 1 2 349.525 3.800 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2C[C@@H](C)S[C@H](C)C2)C1 ZINC000743376536 1131913426 /nfs/dbraw/zinc/91/34/26/1131913426.db2.gz KUTOFOOHGVKRPB-MGPQQGTHSA-N 1 2 340.558 3.598 20 0 EHADLO CCc1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc(C)n1 ZINC001212692004 1131914908 /nfs/dbraw/zinc/91/49/08/1131914908.db2.gz VUIJZNXJSYDELM-UHFFFAOYSA-N 1 2 331.379 3.855 20 0 EHADLO COC(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cnc1Cl ZINC001212695330 1131925601 /nfs/dbraw/zinc/92/56/01/1131925601.db2.gz ZZGRZGRTEJMLDT-UHFFFAOYSA-N 1 2 342.786 3.510 20 0 EHADLO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3c(F)cccc3F)C2=O)cc1 ZINC000743472974 1131928588 /nfs/dbraw/zinc/92/85/88/1131928588.db2.gz USLAEGYMPXOIEQ-CXAGYDPISA-N 1 2 330.378 3.729 20 0 EHADLO COc1cccc2ncnc(Nc3ccc(Cn4cc[nH+]c4)cc3)c21 ZINC001212695920 1131929619 /nfs/dbraw/zinc/92/96/19/1131929619.db2.gz YIMWLVIZKWQKHO-UHFFFAOYSA-N 1 2 331.379 3.627 20 0 EHADLO CC(=O)N1CCCc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC001212698467 1131937460 /nfs/dbraw/zinc/93/74/60/1131937460.db2.gz UXYGYGVNQVMHCC-UHFFFAOYSA-N 1 2 346.434 3.974 20 0 EHADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000743565103 1131942417 /nfs/dbraw/zinc/94/24/17/1131942417.db2.gz SAWNTUJDTVFNTO-HNNXBMFYSA-N 1 2 326.444 3.640 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]2c2cccc(F)c2)c1C ZINC000743574221 1131945127 /nfs/dbraw/zinc/94/51/27/1131945127.db2.gz OQLCURUKWKOIHW-QGZVFWFLSA-N 1 2 343.402 3.503 20 0 EHADLO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076817 1131956990 /nfs/dbraw/zinc/95/69/90/1131956990.db2.gz PJZMYTILQZHGQV-DOTOQJQBSA-N 1 2 346.471 3.589 20 0 EHADLO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001173076817 1131956996 /nfs/dbraw/zinc/95/69/96/1131956996.db2.gz PJZMYTILQZHGQV-DOTOQJQBSA-N 1 2 346.471 3.589 20 0 EHADLO Fc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000743837926 1131983470 /nfs/dbraw/zinc/98/34/70/1131983470.db2.gz MWSHSSYVQCBYEX-NSHDSACASA-N 1 2 329.297 3.650 20 0 EHADLO Fc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000743837926 1131983475 /nfs/dbraw/zinc/98/34/75/1131983475.db2.gz MWSHSSYVQCBYEX-NSHDSACASA-N 1 2 329.297 3.650 20 0 EHADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743849829 1131985166 /nfs/dbraw/zinc/98/51/66/1131985166.db2.gz IIPWXSFGWZYHLI-LBPRGKRZSA-N 1 2 335.391 3.918 20 0 EHADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743849829 1131985172 /nfs/dbraw/zinc/98/51/72/1131985172.db2.gz IIPWXSFGWZYHLI-LBPRGKRZSA-N 1 2 335.391 3.918 20 0 EHADLO CCc1ccc(C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001173239961 1132027822 /nfs/dbraw/zinc/02/78/22/1132027822.db2.gz VSYCVRYPPWLUAS-UZLBHIALSA-N 1 2 325.452 3.554 20 0 EHADLO CCc1ccc(C[C@H](C)[N@@H+]2CCn3c(Br)cnc3C2)cc1 ZINC001173242279 1132030715 /nfs/dbraw/zinc/03/07/15/1132030715.db2.gz DXUQZTJNPVWACX-ZDUSSCGKSA-N 1 2 348.288 3.655 20 0 EHADLO CCc1ccc(C[C@H](C)[N@H+]2CCn3c(Br)cnc3C2)cc1 ZINC001173242279 1132030724 /nfs/dbraw/zinc/03/07/24/1132030724.db2.gz DXUQZTJNPVWACX-ZDUSSCGKSA-N 1 2 348.288 3.655 20 0 EHADLO c1ccc(C[N@@H+]2CCO[C@@H](c3ncncc3Nc3ccccc3)C2)cc1 ZINC001173791622 1132149208 /nfs/dbraw/zinc/14/92/08/1132149208.db2.gz ZQJVEBIFKQELDO-HXUWFJFHSA-N 1 2 346.434 3.794 20 0 EHADLO c1ccc(C[N@H+]2CCO[C@@H](c3ncncc3Nc3ccccc3)C2)cc1 ZINC001173791622 1132149213 /nfs/dbraw/zinc/14/92/13/1132149213.db2.gz ZQJVEBIFKQELDO-HXUWFJFHSA-N 1 2 346.434 3.794 20 0 EHADLO CCOc1ccccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001173849381 1132153926 /nfs/dbraw/zinc/15/39/26/1132153926.db2.gz MDVVIAOWZCAAKQ-KBPBESRZSA-N 1 2 342.443 3.541 20 0 EHADLO COc1cc(OC)c(Nc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC001173909121 1132171088 /nfs/dbraw/zinc/17/10/88/1132171088.db2.gz IQZROSNEMDBXCB-UHFFFAOYSA-N 1 2 325.368 3.642 20 0 EHADLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(OC)c1 ZINC001173890577 1132182123 /nfs/dbraw/zinc/18/21/23/1132182123.db2.gz NFLMLWNUZABAHE-UHFFFAOYSA-N 1 2 348.200 3.858 20 0 EHADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745086848 1132190856 /nfs/dbraw/zinc/19/08/56/1132190856.db2.gz NVUPGWBSTWBWSM-OAHLLOKOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000745086848 1132190859 /nfs/dbraw/zinc/19/08/59/1132190859.db2.gz NVUPGWBSTWBWSM-OAHLLOKOSA-N 1 2 348.830 3.913 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086185 1132191565 /nfs/dbraw/zinc/19/15/65/1132191565.db2.gz KPNIUFYYIYMFCT-ZBFHGGJFSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000745086185 1132191570 /nfs/dbraw/zinc/19/15/70/1132191570.db2.gz KPNIUFYYIYMFCT-ZBFHGGJFSA-N 1 2 328.412 3.820 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000745098039 1132193790 /nfs/dbraw/zinc/19/37/90/1132193790.db2.gz QHNYOUNYAHMPIK-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000745098039 1132193794 /nfs/dbraw/zinc/19/37/94/1132193794.db2.gz QHNYOUNYAHMPIK-HXUWFJFHSA-N 1 2 349.434 3.609 20 0 EHADLO Cc1c(Cl)c(COC(=O)[C@@H]2CCCC[N@H+]2C)nc2ccccc12 ZINC000745078474 1132195546 /nfs/dbraw/zinc/19/55/46/1132195546.db2.gz FTXLENXCWPWZBH-INIZCTEOSA-N 1 2 332.831 3.724 20 0 EHADLO Cc1c(Cl)c(COC(=O)[C@@H]2CCCC[N@@H+]2C)nc2ccccc12 ZINC000745078474 1132195554 /nfs/dbraw/zinc/19/55/54/1132195554.db2.gz FTXLENXCWPWZBH-INIZCTEOSA-N 1 2 332.831 3.724 20 0 EHADLO Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1F ZINC001174019492 1132215810 /nfs/dbraw/zinc/21/58/10/1132215810.db2.gz IPURDDVFXDZTME-STQMWFEESA-N 1 2 330.407 3.590 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC001174072595 1132235395 /nfs/dbraw/zinc/23/53/95/1132235395.db2.gz PWLJZHZTMQOQHT-UHFFFAOYSA-N 1 2 334.423 3.542 20 0 EHADLO CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745787013 1132316370 /nfs/dbraw/zinc/31/63/70/1132316370.db2.gz PVPYTPLHNRQOEG-DYVFJYSZSA-N 1 2 333.476 3.817 20 0 EHADLO Cn1nc(C(F)(F)F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174325334 1132319100 /nfs/dbraw/zinc/31/91/00/1132319100.db2.gz GAKGGXQHXFNBSK-UHFFFAOYSA-N 1 2 325.338 3.568 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000766336049 1132319579 /nfs/dbraw/zinc/31/95/79/1132319579.db2.gz BWLGMJOHKIYSQG-UHFFFAOYSA-N 1 2 334.529 3.999 20 0 EHADLO CC(=O)NCc1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001174368176 1132338120 /nfs/dbraw/zinc/33/81/20/1132338120.db2.gz VAONJKXIHRXWPK-UHFFFAOYSA-N 1 2 325.799 3.690 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)C(=O)N(C)CC4)ccc21 ZINC001174385389 1132345311 /nfs/dbraw/zinc/34/53/11/1132345311.db2.gz QGKDOTJXZMTWAO-UHFFFAOYSA-N 1 2 334.423 3.989 20 0 EHADLO COc1ccc(Cn2cc(Nc3ccccc3-n3cc[nH+]c3)cn2)cc1 ZINC001174436962 1132355275 /nfs/dbraw/zinc/35/52/75/1132355275.db2.gz ALWJNRYCYIUUNH-UHFFFAOYSA-N 1 2 345.406 3.869 20 0 EHADLO Cc1cn2c(cccc2NC2=CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001174439105 1132357480 /nfs/dbraw/zinc/35/74/80/1132357480.db2.gz CEHFMUXYIVTMQX-UHFFFAOYSA-N 1 2 328.416 3.579 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075647 1132360027 /nfs/dbraw/zinc/36/00/27/1132360027.db2.gz JBYZQLWFQKYMPU-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000746075647 1132360035 /nfs/dbraw/zinc/36/00/35/1132360035.db2.gz JBYZQLWFQKYMPU-HOCLYGCPSA-N 1 2 343.427 3.524 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)c1 ZINC000183380297 1132361519 /nfs/dbraw/zinc/36/15/19/1132361519.db2.gz CEHLTSIIUUMZFA-AWEZNQCLSA-N 1 2 345.399 3.591 20 0 EHADLO Fc1cccc(O[C@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)c1 ZINC000183380297 1132361529 /nfs/dbraw/zinc/36/15/29/1132361529.db2.gz CEHLTSIIUUMZFA-AWEZNQCLSA-N 1 2 345.399 3.591 20 0 EHADLO CC(=O)c1c(F)cc(F)cc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446943 1132363087 /nfs/dbraw/zinc/36/30/87/1132363087.db2.gz STARFBPNSWKZPR-UHFFFAOYSA-N 1 2 346.377 3.743 20 0 EHADLO CC[N@H+](CCc1cccs1)Cn1ncn(-c2ccccc2)c1=S ZINC000746070276 1132364602 /nfs/dbraw/zinc/36/46/02/1132364602.db2.gz KMZWNQRXFIFMOR-UHFFFAOYSA-N 1 2 344.509 3.987 20 0 EHADLO CC[N@@H+](CCc1cccs1)Cn1ncn(-c2ccccc2)c1=S ZINC000746070276 1132364611 /nfs/dbraw/zinc/36/46/11/1132364611.db2.gz KMZWNQRXFIFMOR-UHFFFAOYSA-N 1 2 344.509 3.987 20 0 EHADLO O=S(=O)(c1cccc(Nc2cc[nH+]c3[nH]ccc32)c1)C(F)(F)F ZINC001174415066 1132368484 /nfs/dbraw/zinc/36/84/84/1132368484.db2.gz GCBHAHKEZMNKRX-UHFFFAOYSA-N 1 2 341.314 3.552 20 0 EHADLO CCOC(=O)Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525430 1132382486 /nfs/dbraw/zinc/38/24/86/1132382486.db2.gz YRDHGWYYDZJAQR-UHFFFAOYSA-N 1 2 339.439 3.921 20 0 EHADLO CC(=O)N1CCc2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc21 ZINC001174522157 1132398795 /nfs/dbraw/zinc/39/87/95/1132398795.db2.gz JXGJCMWWNBXPQO-UHFFFAOYSA-N 1 2 336.439 3.725 20 0 EHADLO Cc1cc(N2Cc3cccc(Br)c3C2)nc(C2CC2)[nH+]1 ZINC000184820792 1132411932 /nfs/dbraw/zinc/41/19/32/1132411932.db2.gz DFCOFYUSUMRZIA-UHFFFAOYSA-N 1 2 330.229 3.945 20 0 EHADLO CC(C)=CNc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001174554217 1132414313 /nfs/dbraw/zinc/41/43/13/1132414313.db2.gz XRRHGWFNFJJWTL-UHFFFAOYSA-N 1 2 346.475 3.911 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186848770 1132425566 /nfs/dbraw/zinc/42/55/66/1132425566.db2.gz UUOFBUNCHQOBRN-WCQYABFASA-N 1 2 338.377 3.666 20 0 EHADLO CC[C@H](OCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccccc1 ZINC001174651112 1132438939 /nfs/dbraw/zinc/43/89/39/1132438939.db2.gz CHDYOIFQLMNTRN-FQEVSTJZSA-N 1 2 338.451 3.633 20 0 EHADLO CC[C@H](OCC[N@H+]1Cc2ccccc2N(C)C(=O)C1)c1ccccc1 ZINC001174651112 1132438942 /nfs/dbraw/zinc/43/89/42/1132438942.db2.gz CHDYOIFQLMNTRN-FQEVSTJZSA-N 1 2 338.451 3.633 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000189024651 1132440873 /nfs/dbraw/zinc/44/08/73/1132440873.db2.gz MHGRCXUBFDOWCX-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000189024651 1132440878 /nfs/dbraw/zinc/44/08/78/1132440878.db2.gz MHGRCXUBFDOWCX-UHFFFAOYSA-N 1 2 337.345 3.552 20 0 EHADLO Clc1cc(Nc2ccc(N3CCOCC3)cc2)cn2cc[nH+]c12 ZINC001174710206 1132449032 /nfs/dbraw/zinc/44/90/32/1132449032.db2.gz MZTXNKWFFBYDBB-UHFFFAOYSA-N 1 2 328.803 3.568 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCO1 ZINC001174771127 1132460027 /nfs/dbraw/zinc/46/00/27/1132460027.db2.gz MLSXALGWXQNQNR-CQSZACIVSA-N 1 2 337.769 3.762 20 0 EHADLO FC(F)(F)C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCO1 ZINC001174771127 1132460033 /nfs/dbraw/zinc/46/00/33/1132460033.db2.gz MLSXALGWXQNQNR-CQSZACIVSA-N 1 2 337.769 3.762 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193000531 1132478089 /nfs/dbraw/zinc/47/80/89/1132478089.db2.gz RDVBLFWKFOFCCI-CQSZACIVSA-N 1 2 344.455 3.854 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193000531 1132478095 /nfs/dbraw/zinc/47/80/95/1132478095.db2.gz RDVBLFWKFOFCCI-CQSZACIVSA-N 1 2 344.455 3.854 20 0 EHADLO C[C@@H]1CN(c2ccc(Nc3cccc4ncccc43)c[nH+]2)C[C@H](C)O1 ZINC001174904227 1132499713 /nfs/dbraw/zinc/49/97/13/1132499713.db2.gz UDVGUOFUMRKQIH-GASCZTMLSA-N 1 2 334.423 3.987 20 0 EHADLO O=C(CCc1cccc(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053689036 1132499862 /nfs/dbraw/zinc/49/98/62/1132499862.db2.gz RWEOKZKTQDVULX-UHFFFAOYSA-N 1 2 348.899 3.679 20 0 EHADLO CC(C)(C)OCc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174912211 1132502700 /nfs/dbraw/zinc/50/27/00/1132502700.db2.gz XQDACSWNUFUMNA-UHFFFAOYSA-N 1 2 341.455 3.977 20 0 EHADLO CC(C)(C)OCc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001174911453 1132502798 /nfs/dbraw/zinc/50/27/98/1132502798.db2.gz YYYKDBCDAWSWHE-SFHVURJKSA-N 1 2 341.455 3.711 20 0 EHADLO Fc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(F)c1Cl ZINC001174976550 1132510664 /nfs/dbraw/zinc/51/06/64/1132510664.db2.gz WHRZFNDGCTWYBQ-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO COc1cc(F)cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001175007838 1132528372 /nfs/dbraw/zinc/52/83/72/1132528372.db2.gz XMWKSJZPJPVBOO-BETUJISGSA-N 1 2 331.391 3.587 20 0 EHADLO Cc1ccc(CN(c2[nH+]cnc3c2cnn3C(C)(C)C)C2CC2)o1 ZINC000766397909 1132528643 /nfs/dbraw/zinc/52/86/43/1132528643.db2.gz FAXOUICLEJWIDM-UHFFFAOYSA-N 1 2 325.416 3.652 20 0 EHADLO Cc1ccccc1[C@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000766404788 1132531540 /nfs/dbraw/zinc/53/15/40/1132531540.db2.gz QIDZKQCZWXOWJH-HNNXBMFYSA-N 1 2 335.455 3.884 20 0 EHADLO CC(C)n1ncc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc21 ZINC001174979732 1132533877 /nfs/dbraw/zinc/53/38/77/1132533877.db2.gz SYQWFGASFSIOMH-UHFFFAOYSA-N 1 2 337.427 3.592 20 0 EHADLO CC[N@H+](CC(=O)NCC[C@@H]1CCCS1)Cc1ccccc1Cl ZINC001168785076 1132535853 /nfs/dbraw/zinc/53/58/53/1132535853.db2.gz ZGWKESYUAUWWKA-HNNXBMFYSA-N 1 2 340.920 3.564 20 0 EHADLO CC[N@@H+](CC(=O)NCC[C@@H]1CCCS1)Cc1ccccc1Cl ZINC001168785076 1132535858 /nfs/dbraw/zinc/53/58/58/1132535858.db2.gz ZGWKESYUAUWWKA-HNNXBMFYSA-N 1 2 340.920 3.564 20 0 EHADLO CCOc1ccc(F)c(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001175037164 1132545106 /nfs/dbraw/zinc/54/51/06/1132545106.db2.gz CNLWANFLLMPRCV-UHFFFAOYSA-N 1 2 348.393 3.939 20 0 EHADLO COCOc1ccc(OC)cc1C[NH2+]Cc1c(F)cccc1Cl ZINC000766462634 1132547386 /nfs/dbraw/zinc/54/73/86/1132547386.db2.gz WUYLJDZBYZNGNN-UHFFFAOYSA-N 1 2 339.794 3.760 20 0 EHADLO Cc1ccc(C)c(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001175163929 1132587227 /nfs/dbraw/zinc/58/72/27/1132587227.db2.gz YDRVCBCAOOYHRG-UHFFFAOYSA-N 1 2 337.467 3.568 20 0 EHADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CCc1cccnc1 ZINC001175172803 1132589330 /nfs/dbraw/zinc/58/93/30/1132589330.db2.gz DHYYHDWEHFEGFF-NRFANRHFSA-N 1 2 348.446 3.541 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3F)CC2)c1 ZINC001168872898 1132593499 /nfs/dbraw/zinc/59/34/99/1132593499.db2.gz KRDUEQAPJGRHBV-UHFFFAOYSA-N 1 2 336.813 3.936 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1scnc1Cl ZINC000766530471 1132598095 /nfs/dbraw/zinc/59/80/95/1132598095.db2.gz MHESAJRSUFZDRD-STQMWFEESA-N 1 2 349.887 3.532 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1scnc1Cl ZINC000766530471 1132598099 /nfs/dbraw/zinc/59/80/99/1132598099.db2.gz MHESAJRSUFZDRD-STQMWFEESA-N 1 2 349.887 3.532 20 0 EHADLO CN(C)c1ccc(Nc2ccnc(Cl)c2OC(F)(F)F)c[nH+]1 ZINC001175341326 1132626584 /nfs/dbraw/zinc/62/65/84/1132626584.db2.gz GFMMQSZOZONGJI-UHFFFAOYSA-N 1 2 332.713 3.838 20 0 EHADLO COC(=O)c1c(F)ccc(Nc2ccc(N3CCCC3)[nH+]c2)c1C ZINC001175348697 1132630078 /nfs/dbraw/zinc/63/00/78/1132630078.db2.gz HUMIAXBFRJFINH-UHFFFAOYSA-N 1 2 329.375 3.660 20 0 EHADLO Cc1cc(Br)ncc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348541 1132630400 /nfs/dbraw/zinc/63/04/00/1132630400.db2.gz GSFASWLUXZHMOG-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO C[C@H]1Cc2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc2N(C)C1=O ZINC001175353006 1132646889 /nfs/dbraw/zinc/64/68/89/1132646889.db2.gz VDMCMWYGLYLKRY-AWEZNQCLSA-N 1 2 336.439 3.580 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1nc(Cc2ccccc2)no1 ZINC000466750974 1132664937 /nfs/dbraw/zinc/66/49/37/1132664937.db2.gz GFCDBGBWEUWVQD-AWEZNQCLSA-N 1 2 332.407 3.993 20 0 EHADLO Cn1ncc2cccc(Nc3cc(Br)cn4cc[nH+]c34)c21 ZINC001175440994 1132671342 /nfs/dbraw/zinc/67/13/42/1132671342.db2.gz QDBNJYWCPYCSQR-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CCS(=O)(=O)c1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001175449362 1132685730 /nfs/dbraw/zinc/68/57/30/1132685730.db2.gz HZUDLSXNOAOBDY-UHFFFAOYSA-N 1 2 335.816 3.525 20 0 EHADLO O=C1N=NC(=O)c2c(NC3=CC[N@H+](Cc4ccccc4)CC3)cccc21 ZINC001175506793 1132694688 /nfs/dbraw/zinc/69/46/88/1132694688.db2.gz NGBFNTFGBOAQGE-UHFFFAOYSA-N 1 2 346.390 3.635 20 0 EHADLO O=C1N=NC(=O)c2c(NC3=CC[N@@H+](Cc4ccccc4)CC3)cccc21 ZINC001175506793 1132694692 /nfs/dbraw/zinc/69/46/92/1132694692.db2.gz NGBFNTFGBOAQGE-UHFFFAOYSA-N 1 2 346.390 3.635 20 0 EHADLO Cc1[nH+]cn(-c2ccc(NCc3c(Cl)cncc3Cl)nn2)c1C ZINC001169183694 1132695220 /nfs/dbraw/zinc/69/52/20/1132695220.db2.gz LTSCIUVSLSXVPI-UHFFFAOYSA-N 1 2 349.225 3.593 20 0 EHADLO OCc1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001175510272 1132695784 /nfs/dbraw/zinc/69/57/84/1132695784.db2.gz LVSMMNBLEGLYKQ-UHFFFAOYSA-N 1 2 329.197 3.655 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(SC)nc3)c2c1 ZINC001175654873 1132732059 /nfs/dbraw/zinc/73/20/59/1132732059.db2.gz SVHMYGZZVAQJEQ-UHFFFAOYSA-N 1 2 339.420 3.694 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4c(C)n[nH]c4c3)c2c1 ZINC001175660843 1132732606 /nfs/dbraw/zinc/73/26/06/1132732606.db2.gz WUSOEMXTCGYJLL-UHFFFAOYSA-N 1 2 346.390 3.762 20 0 EHADLO Cc1nc(NCc2c(=O)[nH]c(C)c3c2CCCC3)c2c([nH+]1)CCCC2 ZINC001169399686 1132746820 /nfs/dbraw/zinc/74/68/20/1132746820.db2.gz VNVGWKAAZCJSBG-UHFFFAOYSA-N 1 2 338.455 3.564 20 0 EHADLO COC(=O)c1c(C)scc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710708 1132755448 /nfs/dbraw/zinc/75/54/48/1132755448.db2.gz KBFBPLSUQJCNSR-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO COC(=O)c1sc(C)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175709685 1132756009 /nfs/dbraw/zinc/75/60/09/1132756009.db2.gz JXSDCQQEWGUZLW-UHFFFAOYSA-N 1 2 331.319 3.583 20 0 EHADLO OC1CCN(c2ccc(Nc3ccc(-c4cccnc4)cc3)c[nH+]2)CC1 ZINC001175889363 1132782800 /nfs/dbraw/zinc/78/28/00/1132782800.db2.gz ZTHHVCTXTFNIGW-UHFFFAOYSA-N 1 2 346.434 3.848 20 0 EHADLO FC(F)Oc1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001176012953 1132819125 /nfs/dbraw/zinc/81/91/25/1132819125.db2.gz SAOGWMRHNZBRJS-UHFFFAOYSA-N 1 2 334.366 3.864 20 0 EHADLO CCOC(=O)[C@@H](CCCC(C)C)NCc1[nH+]cc(C)c(OC)c1C ZINC001176012316 1132819233 /nfs/dbraw/zinc/81/92/33/1132819233.db2.gz YNEFBOWLFIQMOG-MRXNPFEDSA-N 1 2 336.476 3.555 20 0 EHADLO c1c[nH+]c(Nc2cccc(OC3CCCC3)c2)c(N2CCOCC2)c1 ZINC001176098787 1132828108 /nfs/dbraw/zinc/82/81/08/1132828108.db2.gz XQENYJORGXSSFO-UHFFFAOYSA-N 1 2 339.439 3.983 20 0 EHADLO Cc1cc[nH+]c(C(C)C)c1Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001176101797 1132848128 /nfs/dbraw/zinc/84/81/28/1132848128.db2.gz ZHPZQRQDLSMOSZ-UHFFFAOYSA-N 1 2 345.468 3.698 20 0 EHADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001176314928 1132912294 /nfs/dbraw/zinc/91/22/94/1132912294.db2.gz FLPFWEBTJIRZLT-HXUWFJFHSA-N 1 2 347.422 3.965 20 0 EHADLO CC[N@H+](C)c1ccc(Nc2ccc(CN3CCOCC3)cc2F)cc1 ZINC001176491096 1132947374 /nfs/dbraw/zinc/94/73/74/1132947374.db2.gz VHXIISOOQMSXEM-UHFFFAOYSA-N 1 2 343.446 3.858 20 0 EHADLO CC[N@@H+](C)c1ccc(Nc2ccc(CN3CCOCC3)cc2F)cc1 ZINC001176491096 1132947377 /nfs/dbraw/zinc/94/73/77/1132947377.db2.gz VHXIISOOQMSXEM-UHFFFAOYSA-N 1 2 343.446 3.858 20 0 EHADLO Cc1ccc(Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)c(C)[nH+]1 ZINC001176529085 1132958162 /nfs/dbraw/zinc/95/81/62/1132958162.db2.gz SMFBDIJZSOAUCW-UHFFFAOYSA-N 1 2 345.830 3.568 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001176639545 1132974577 /nfs/dbraw/zinc/97/45/77/1132974577.db2.gz JUINAONRJZPGEZ-OFAQMXQXSA-N 1 2 340.389 3.575 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001176639545 1132974579 /nfs/dbraw/zinc/97/45/79/1132974579.db2.gz JUINAONRJZPGEZ-OFAQMXQXSA-N 1 2 340.389 3.575 20 0 EHADLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)ncc1C(F)(F)F ZINC001176748944 1132992312 /nfs/dbraw/zinc/99/23/12/1132992312.db2.gz KJPHAIPFHMFBCK-UHFFFAOYSA-N 1 2 338.333 3.848 20 0 EHADLO COc1cccc(-n2nccc2Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749375 1132992430 /nfs/dbraw/zinc/99/24/30/1132992430.db2.gz FDZDTMMVGPVFBP-UHFFFAOYSA-N 1 2 335.411 3.620 20 0 EHADLO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830710 1133003570 /nfs/dbraw/zinc/00/35/70/1133003570.db2.gz BXGQQUUOXNGSRP-IERDGZPVSA-N 1 2 349.434 3.619 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(C4CC4)n(C)n3)c2)[nH+]c1C ZINC000742056166 1133038071 /nfs/dbraw/zinc/03/80/71/1133038071.db2.gz POSWAHCMPCWFJG-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO Cc1ccc(NC(=O)N[C@H]2CCCc3sccc32)c(N(C)C)[nH+]1 ZINC000767861592 1133060896 /nfs/dbraw/zinc/06/08/96/1133060896.db2.gz VJTMOTIKRIPMOY-ZDUSSCGKSA-N 1 2 330.457 3.717 20 0 EHADLO Oc1cccc(CNc2ccc(-n3cc[nH+]c3)cc2)c1Br ZINC001177387456 1133060926 /nfs/dbraw/zinc/06/09/26/1133060926.db2.gz OFGPAEHMLZEOAU-UHFFFAOYSA-N 1 2 344.212 3.953 20 0 EHADLO CCCCCCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658989 1133062659 /nfs/dbraw/zinc/06/26/59/1133062659.db2.gz TYPWXZBQMMGUET-UHFFFAOYSA-N 1 2 335.879 3.521 20 0 EHADLO CCCCCCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658989 1133062664 /nfs/dbraw/zinc/06/26/64/1133062664.db2.gz TYPWXZBQMMGUET-UHFFFAOYSA-N 1 2 335.879 3.521 20 0 EHADLO CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767938718 1133073128 /nfs/dbraw/zinc/07/31/28/1133073128.db2.gz OAWILTDSFSBSNY-QFBILLFUSA-N 1 2 340.471 3.983 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cscn1 ZINC000768107491 1133095429 /nfs/dbraw/zinc/09/54/29/1133095429.db2.gz ZGEGSFDYQCOXNH-STQMWFEESA-N 1 2 349.475 3.655 20 0 EHADLO C[N@@H+](Cc1ccc2ncccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161108 1133103301 /nfs/dbraw/zinc/10/33/01/1133103301.db2.gz RBIXSCVZEHGZRC-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO C[N@H+](Cc1ccc2ncccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161108 1133103305 /nfs/dbraw/zinc/10/33/05/1133103305.db2.gz RBIXSCVZEHGZRC-UHFFFAOYSA-N 1 2 330.391 3.516 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccoc1 ZINC000768170857 1133104950 /nfs/dbraw/zinc/10/49/50/1133104950.db2.gz XDSSWFJNPMHOCI-UHFFFAOYSA-N 1 2 326.318 3.548 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccoc1 ZINC000768170857 1133104952 /nfs/dbraw/zinc/10/49/52/1133104952.db2.gz XDSSWFJNPMHOCI-UHFFFAOYSA-N 1 2 326.318 3.548 20 0 EHADLO C[C@H](C(=O)Nc1ccc(C(C)(C)c2ccc(N)cc2)cc1)n1cc[nH+]c1 ZINC001177926211 1133113668 /nfs/dbraw/zinc/11/36/68/1133113668.db2.gz YSHLZAPDHZZIOV-OAHLLOKOSA-N 1 2 348.450 3.991 20 0 EHADLO COC(=O)c1cccc(-c2cccc(NC(=O)[C@@H](C)n3cc[nH+]c3)c2)c1 ZINC001177927516 1133116522 /nfs/dbraw/zinc/11/65/22/1133116522.db2.gz ZGDRYHKMTUGXMC-CQSZACIVSA-N 1 2 349.390 3.536 20 0 EHADLO O=c1[nH]c2cccc(CNc3ccc(-n4cc[nH+]c4)c(Cl)c3)c2o1 ZINC001178067727 1133129288 /nfs/dbraw/zinc/12/92/88/1133129288.db2.gz BUTUXCGHIYFHPE-UHFFFAOYSA-N 1 2 340.770 3.985 20 0 EHADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cn3cc(Cl)ccc3n1)CO2 ZINC001178147513 1133136835 /nfs/dbraw/zinc/13/68/35/1133136835.db2.gz DZIOMRHEUFMAQR-AWEZNQCLSA-N 1 2 334.206 3.864 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)s1 ZINC001178444475 1133164924 /nfs/dbraw/zinc/16/49/24/1133164924.db2.gz KTPIHRNIIXGEMV-LLVKDONJSA-N 1 2 347.875 3.845 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1OC ZINC001178444789 1133165214 /nfs/dbraw/zinc/16/52/14/1133165214.db2.gz NIVOKZFCCLOIKC-LBPRGKRZSA-N 1 2 335.473 3.885 20 0 EHADLO CCCn1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(C)cc2)nn1 ZINC001178426002 1133168444 /nfs/dbraw/zinc/16/84/44/1133168444.db2.gz OVPUMXIKSHHVRR-HNNXBMFYSA-N 1 2 326.366 3.780 20 0 EHADLO CCc1[nH]c(CNC(=O)c2ccccc2OCc2ccccc2C)c[nH+]1 ZINC001178662636 1133188851 /nfs/dbraw/zinc/18/88/51/1133188851.db2.gz TXCLDWMIMCJBCU-UHFFFAOYSA-N 1 2 349.434 3.790 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2ccccc2OCc2ccccc2C)[nH+]1 ZINC001178662636 1133188855 /nfs/dbraw/zinc/18/88/55/1133188855.db2.gz TXCLDWMIMCJBCU-UHFFFAOYSA-N 1 2 349.434 3.790 20 0 EHADLO CCc1[nH]c(CNC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001178669086 1133188983 /nfs/dbraw/zinc/18/89/83/1133188983.db2.gz CNJFMXUDIKFLHD-AWEZNQCLSA-N 1 2 339.361 3.801 20 0 EHADLO CCc1[nH]cc(CNC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC001178669086 1133188985 /nfs/dbraw/zinc/18/89/85/1133188985.db2.gz CNJFMXUDIKFLHD-AWEZNQCLSA-N 1 2 339.361 3.801 20 0 EHADLO Cc1[nH]c(CNc2cccc3c(Br)ccnc23)[nH+]c1C ZINC001178728055 1133198055 /nfs/dbraw/zinc/19/80/55/1133198055.db2.gz WFPAXXDOTZQIQC-UHFFFAOYSA-N 1 2 331.217 3.949 20 0 EHADLO Cc1occc1C[N@@H+](C)Cc1ccccc1I ZINC000769056764 1133223957 /nfs/dbraw/zinc/22/39/57/1133223957.db2.gz FFPOWIVLIZWVDM-UHFFFAOYSA-N 1 2 341.192 3.825 20 0 EHADLO Cc1occc1C[N@H+](C)Cc1ccccc1I ZINC000769056764 1133223961 /nfs/dbraw/zinc/22/39/61/1133223961.db2.gz FFPOWIVLIZWVDM-UHFFFAOYSA-N 1 2 341.192 3.825 20 0 EHADLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC001179092207 1133227661 /nfs/dbraw/zinc/22/76/61/1133227661.db2.gz IODJRMABBTUTSN-LLVKDONJSA-N 1 2 339.361 3.972 20 0 EHADLO CC(C)c1[nH]c(CNC(=O)[C@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC001179092207 1133227668 /nfs/dbraw/zinc/22/76/68/1133227668.db2.gz IODJRMABBTUTSN-LLVKDONJSA-N 1 2 339.361 3.972 20 0 EHADLO Cc1nc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c(-c2ccccc2)s1 ZINC001179091974 1133227820 /nfs/dbraw/zinc/22/78/20/1133227820.db2.gz FLNBUJUVWBRGNR-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO Cc1nc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)c(-c2ccccc2)s1 ZINC001179091974 1133227826 /nfs/dbraw/zinc/22/78/26/1133227826.db2.gz FLNBUJUVWBRGNR-UHFFFAOYSA-N 1 2 340.452 3.895 20 0 EHADLO CCC(F)(F)C[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001179165680 1133234316 /nfs/dbraw/zinc/23/43/16/1133234316.db2.gz YPVHMIJHGHRIHC-UHFFFAOYSA-N 1 2 328.403 3.846 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)C1CCC(C(F)(F)F)CC1 ZINC001179835415 1133287876 /nfs/dbraw/zinc/28/78/76/1133287876.db2.gz AGCJRRIBJJHWPX-UHFFFAOYSA-N 1 2 329.366 3.593 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769753703 1133337236 /nfs/dbraw/zinc/33/72/36/1133337236.db2.gz OUIPAHFVYPYQCO-OBEJXRGXSA-N 1 2 343.858 3.883 20 0 EHADLO COc1ccccc1CN1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC001180208622 1133344015 /nfs/dbraw/zinc/34/40/15/1133344015.db2.gz OAMUOLWGASQYBL-FNORWQNLSA-N 1 2 340.442 3.665 20 0 EHADLO CCOC[C@H]1CCC[N@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001180234654 1133349308 /nfs/dbraw/zinc/34/93/08/1133349308.db2.gz RJKWCPIHJDTEGY-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO CCOC[C@H]1CCC[N@@H+](Cc2c(F)cc(Br)cc2F)C1 ZINC001180234654 1133349312 /nfs/dbraw/zinc/34/93/12/1133349312.db2.gz RJKWCPIHJDTEGY-NSHDSACASA-N 1 2 348.231 3.976 20 0 EHADLO Clc1cnc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000769906895 1133357924 /nfs/dbraw/zinc/35/79/24/1133357924.db2.gz FARFQEFIOAQPIM-AWEZNQCLSA-N 1 2 338.860 3.644 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000769908241 1133358099 /nfs/dbraw/zinc/35/80/99/1133358099.db2.gz LPMNDOJLGLKLHF-FQEVSTJZSA-N 1 2 340.442 3.757 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000769908241 1133358100 /nfs/dbraw/zinc/35/81/00/1133358100.db2.gz LPMNDOJLGLKLHF-FQEVSTJZSA-N 1 2 340.442 3.757 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@@H](CO)O1 ZINC001180916372 1133427834 /nfs/dbraw/zinc/42/78/34/1133427834.db2.gz CBSHONBCLJRXHJ-YOEHRIQHSA-N 1 2 331.843 3.589 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@@H](CO)O1 ZINC001180916372 1133427838 /nfs/dbraw/zinc/42/78/38/1133427838.db2.gz CBSHONBCLJRXHJ-YOEHRIQHSA-N 1 2 331.843 3.589 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c(Cl)c1 ZINC000773887196 1133434899 /nfs/dbraw/zinc/43/48/99/1133434899.db2.gz CUIUQYUMEVHING-LJQANCHMSA-N 1 2 342.870 3.881 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c(Cl)c1 ZINC000773887196 1133434903 /nfs/dbraw/zinc/43/49/03/1133434903.db2.gz CUIUQYUMEVHING-LJQANCHMSA-N 1 2 342.870 3.881 20 0 EHADLO C[N@H+](Cc1ncc(Cl)s1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000770644585 1133459838 /nfs/dbraw/zinc/45/98/38/1133459838.db2.gz BHHIJNYEJFKDER-UHFFFAOYSA-N 1 2 347.912 3.779 20 0 EHADLO C[N@@H+](Cc1ncc(Cl)s1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000770644585 1133459844 /nfs/dbraw/zinc/45/98/44/1133459844.db2.gz BHHIJNYEJFKDER-UHFFFAOYSA-N 1 2 347.912 3.779 20 0 EHADLO C[C@H](Cc1ccccc1F)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001181350088 1133483503 /nfs/dbraw/zinc/48/35/03/1133483503.db2.gz PXJFDEBJSLVODK-OAGGEKHMSA-N 1 2 343.446 3.877 20 0 EHADLO CC[C@H](C)c1ccccc1OCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770923012 1133484569 /nfs/dbraw/zinc/48/45/69/1133484569.db2.gz VOGQHGXARJUEAZ-HNNXBMFYSA-N 1 2 338.407 3.970 20 0 EHADLO CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922859 1133484988 /nfs/dbraw/zinc/48/49/88/1133484988.db2.gz USFONIAQCUCKSK-UHFFFAOYSA-N 1 2 344.798 3.889 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000771155094 1133513448 /nfs/dbraw/zinc/51/34/48/1133513448.db2.gz OZKCUWRASGKEDS-UHFFFAOYSA-N 1 2 337.439 3.976 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000771155094 1133513450 /nfs/dbraw/zinc/51/34/50/1133513450.db2.gz OZKCUWRASGKEDS-UHFFFAOYSA-N 1 2 337.439 3.976 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2c(s1)CCCC2 ZINC001182115880 1133573545 /nfs/dbraw/zinc/57/35/45/1133573545.db2.gz VJJVOMLDJKOVQQ-AWEZNQCLSA-N 1 2 345.487 3.872 20 0 EHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC001182115880 1133573552 /nfs/dbraw/zinc/57/35/52/1133573552.db2.gz VJJVOMLDJKOVQQ-AWEZNQCLSA-N 1 2 345.487 3.872 20 0 EHADLO CN(C)c1ccc(NC[C@H](O)c2c(Cl)cccc2Cl)[nH+]c1 ZINC001170035371 1133611827 /nfs/dbraw/zinc/61/18/27/1133611827.db2.gz ZWMVMFIJQWRSEJ-ZDUSSCGKSA-N 1 2 326.227 3.600 20 0 EHADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000771959192 1133620746 /nfs/dbraw/zinc/62/07/46/1133620746.db2.gz PUMGOFKKRBLIQN-QWHCGFSZSA-N 1 2 325.195 3.537 20 0 EHADLO O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000774169336 1133627070 /nfs/dbraw/zinc/62/70/70/1133627070.db2.gz TZCCNKMIOBUSPW-SOFGYWHQSA-N 1 2 342.402 3.683 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001170038336 1133637703 /nfs/dbraw/zinc/63/77/03/1133637703.db2.gz DQYHFVLPWAJWJW-AWEZNQCLSA-N 1 2 340.851 3.536 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1Cl ZINC001170038336 1133637706 /nfs/dbraw/zinc/63/77/06/1133637706.db2.gz DQYHFVLPWAJWJW-AWEZNQCLSA-N 1 2 340.851 3.536 20 0 EHADLO COC(=O)c1oc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1C ZINC001182344981 1133638680 /nfs/dbraw/zinc/63/86/80/1133638680.db2.gz LXGJPOIFBUXFBQ-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1oc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1C ZINC001182344981 1133638682 /nfs/dbraw/zinc/63/86/82/1133638682.db2.gz LXGJPOIFBUXFBQ-INIZCTEOSA-N 1 2 335.350 3.990 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001182489346 1133694870 /nfs/dbraw/zinc/69/48/70/1133694870.db2.gz KDNSSSOYQPUMGQ-GUYCJALGSA-N 1 2 345.443 3.612 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001182489346 1133694871 /nfs/dbraw/zinc/69/48/71/1133694871.db2.gz KDNSSSOYQPUMGQ-GUYCJALGSA-N 1 2 345.443 3.612 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)c(O)c1Cl ZINC001182557413 1133696530 /nfs/dbraw/zinc/69/65/30/1133696530.db2.gz ISOHTYSKPHEPOD-ZDUSSCGKSA-N 1 2 343.254 3.820 20 0 EHADLO Cc1c(Cl)cc(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)c(O)c1Cl ZINC001182557413 1133696532 /nfs/dbraw/zinc/69/65/32/1133696532.db2.gz ISOHTYSKPHEPOD-ZDUSSCGKSA-N 1 2 343.254 3.820 20 0 EHADLO COc1cc(C)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000772611971 1133702533 /nfs/dbraw/zinc/70/25/33/1133702533.db2.gz KOMNGMMRNGBAPR-KRWDZBQOSA-N 1 2 344.459 3.745 20 0 EHADLO COc1cccc(OC)c1C[NH2+]Cc1cncc(Cl)c1Cl ZINC001182805732 1133731329 /nfs/dbraw/zinc/73/13/29/1133731329.db2.gz JALFRTFCTIKISN-UHFFFAOYSA-N 1 2 327.211 3.695 20 0 EHADLO C[C@H](NC(=O)C1(Oc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183031485 1133759389 /nfs/dbraw/zinc/75/93/89/1133759389.db2.gz VMEGCWWHTFBRSU-INIZCTEOSA-N 1 2 347.418 3.661 20 0 EHADLO CC[C@H](OC1CCCC1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000785942974 1133780808 /nfs/dbraw/zinc/78/08/08/1133780808.db2.gz WMISGICKJLUDPP-IBGZPJMESA-N 1 2 342.439 3.962 20 0 EHADLO O=C(Cc1cc2cccnc2cc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001183841554 1133863641 /nfs/dbraw/zinc/86/36/41/1133863641.db2.gz JOLMBVJOYSQJGU-UHFFFAOYSA-N 1 2 346.365 3.741 20 0 EHADLO CC[C@@H](C[N@H+](CC)CN1c2ccccc2C(=O)C1=O)c1ccccc1 ZINC000774700472 1133880327 /nfs/dbraw/zinc/88/03/27/1133880327.db2.gz GWZSZUNOEWJSOD-INIZCTEOSA-N 1 2 336.435 3.689 20 0 EHADLO CC[C@@H](C[N@@H+](CC)CN1c2ccccc2C(=O)C1=O)c1ccccc1 ZINC000774700472 1133880331 /nfs/dbraw/zinc/88/03/31/1133880331.db2.gz GWZSZUNOEWJSOD-INIZCTEOSA-N 1 2 336.435 3.689 20 0 EHADLO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001184188942 1133902641 /nfs/dbraw/zinc/90/26/41/1133902641.db2.gz QMLNDQPZPFLNFU-UHFFFAOYSA-N 1 2 336.863 3.961 20 0 EHADLO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001184188942 1133902644 /nfs/dbraw/zinc/90/26/44/1133902644.db2.gz QMLNDQPZPFLNFU-UHFFFAOYSA-N 1 2 336.863 3.961 20 0 EHADLO Oc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c(F)c1F ZINC001184339421 1133928994 /nfs/dbraw/zinc/92/89/94/1133928994.db2.gz QTUADRTZASFIHC-UHFFFAOYSA-N 1 2 333.256 3.859 20 0 EHADLO Cc1nc(F)ccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000787082763 1133947437 /nfs/dbraw/zinc/94/74/37/1133947437.db2.gz WFCMZJGJJCTZBA-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000746654305 1133963777 /nfs/dbraw/zinc/96/37/77/1133963777.db2.gz YRCILLOFCODFAQ-MRXNPFEDSA-N 1 2 329.444 3.885 20 0 EHADLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000746654305 1133963781 /nfs/dbraw/zinc/96/37/81/1133963781.db2.gz YRCILLOFCODFAQ-MRXNPFEDSA-N 1 2 329.444 3.885 20 0 EHADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787169063 1133965860 /nfs/dbraw/zinc/96/58/60/1133965860.db2.gz LDEBNJCNRGXHME-UHFFFAOYSA-N 1 2 333.741 3.991 20 0 EHADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787169063 1133965866 /nfs/dbraw/zinc/96/58/66/1133965866.db2.gz LDEBNJCNRGXHME-UHFFFAOYSA-N 1 2 333.741 3.991 20 0 EHADLO CCCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746650996 1133967999 /nfs/dbraw/zinc/96/79/99/1133967999.db2.gz GSLNMWPMYQZHNI-LLVKDONJSA-N 1 2 338.300 3.811 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746650996 1133968002 /nfs/dbraw/zinc/96/80/02/1133968002.db2.gz GSLNMWPMYQZHNI-LLVKDONJSA-N 1 2 338.300 3.811 20 0 EHADLO Nc1ccc(OC(F)(F)F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184963833 1134008218 /nfs/dbraw/zinc/00/82/18/1134008218.db2.gz BQNKMDJBYGMLNG-UHFFFAOYSA-N 1 2 338.333 3.906 20 0 EHADLO C[C@@H]1Cc2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2N(C)C1=O ZINC001185044586 1134024796 /nfs/dbraw/zinc/02/47/96/1134024796.db2.gz UTLRGWUFMDBKFW-CQSZACIVSA-N 1 2 336.439 3.580 20 0 EHADLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c(C)c1O ZINC000774829572 1134028682 /nfs/dbraw/zinc/02/86/82/1134028682.db2.gz KTVZTDRTXVHCGK-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(F)c(F)c1F ZINC001185329725 1134072728 /nfs/dbraw/zinc/07/27/28/1134072728.db2.gz KGLQHFSXDQODRI-UHFFFAOYSA-N 1 2 346.312 3.993 20 0 EHADLO OCCC[C@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccccc1 ZINC001185450410 1134089176 /nfs/dbraw/zinc/08/91/76/1134089176.db2.gz GLHYITFTBAQPMQ-INIZCTEOSA-N 1 2 332.407 3.808 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C12CCC(F)(CC1)CC2 ZINC001185528971 1134103948 /nfs/dbraw/zinc/10/39/48/1134103948.db2.gz FNLAGQYBWIPTQM-UHFFFAOYSA-N 1 2 341.430 3.893 20 0 EHADLO COc1ccc(OC)c2sc(NCc3ccn4cc[nH+]c4c3)nc21 ZINC001185756521 1134128574 /nfs/dbraw/zinc/12/85/74/1134128574.db2.gz OFAZNNIZPBQHCP-UHFFFAOYSA-N 1 2 340.408 3.573 20 0 EHADLO C[C@@H]1c2ccccc2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000746755564 1134153747 /nfs/dbraw/zinc/15/37/47/1134153747.db2.gz FZDRBPJVLBGDKL-OAHLLOKOSA-N 1 2 332.407 3.659 20 0 EHADLO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001186267846 1134190556 /nfs/dbraw/zinc/19/05/56/1134190556.db2.gz RVQFJUHHMFDZTH-GFCCVEGCSA-N 1 2 337.345 3.757 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)OC(C)(C)C ZINC001170095114 1134199532 /nfs/dbraw/zinc/19/95/32/1134199532.db2.gz OHIRVNSJLHVTFV-GFCCVEGCSA-N 1 2 331.378 3.910 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)OC(C)(C)C ZINC001170095114 1134199535 /nfs/dbraw/zinc/19/95/35/1134199535.db2.gz OHIRVNSJLHVTFV-GFCCVEGCSA-N 1 2 331.378 3.910 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC001186338080 1134204143 /nfs/dbraw/zinc/20/41/43/1134204143.db2.gz AEDICHJHWUZODE-MRXNPFEDSA-N 1 2 345.487 3.609 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nonc2C)ccc1OC1CCCC1 ZINC000775013364 1134208863 /nfs/dbraw/zinc/20/88/63/1134208863.db2.gz NLAYYGGZMSMVRA-LBPRGKRZSA-N 1 2 331.416 3.559 20 0 EHADLO C[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000789024402 1134209523 /nfs/dbraw/zinc/20/95/23/1134209523.db2.gz WCJYOVDFBZKKCC-HNNXBMFYSA-N 1 2 346.519 3.791 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000789378331 1134265996 /nfs/dbraw/zinc/26/59/96/1134265996.db2.gz OXMWNOWIBPLZIN-RDBSUJKOSA-N 1 2 328.239 3.559 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000789378331 1134266002 /nfs/dbraw/zinc/26/60/02/1134266002.db2.gz OXMWNOWIBPLZIN-RDBSUJKOSA-N 1 2 328.239 3.559 20 0 EHADLO CCc1cc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)nc(CC)[nH+]1 ZINC001186880903 1134266411 /nfs/dbraw/zinc/26/64/11/1134266411.db2.gz COHOUALERJVZOL-UHFFFAOYSA-N 1 2 349.482 3.937 20 0 EHADLO C/C=C(\CC)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000789639003 1134308694 /nfs/dbraw/zinc/30/86/94/1134308694.db2.gz QIHPLBDIRBTJFS-CRKCGEKBSA-N 1 2 337.427 3.618 20 0 EHADLO CCN(CCn1cc[nH+]c1)C(F)(F)c1ccc(Cl)nc1Cl ZINC001157459846 1134310310 /nfs/dbraw/zinc/31/03/10/1134310310.db2.gz KIBOCUVPBLYQDS-UHFFFAOYSA-N 1 2 335.185 3.656 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170113968 1134312444 /nfs/dbraw/zinc/31/24/44/1134312444.db2.gz YMDDZIUJDLALJH-GMXABZIVSA-N 1 2 330.255 3.856 20 0 EHADLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC001187373112 1134328930 /nfs/dbraw/zinc/32/89/30/1134328930.db2.gz WMNXLHWVPPQQEH-UHFFFAOYSA-N 1 2 347.484 3.559 20 0 EHADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)sc1-c1ccc(F)cc1 ZINC000789777629 1134334160 /nfs/dbraw/zinc/33/41/60/1134334160.db2.gz UBEGLKHSNDHHTL-UHFFFAOYSA-N 1 2 344.411 3.996 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000789789048 1134334769 /nfs/dbraw/zinc/33/47/69/1134334769.db2.gz SDNYQCFZKQPOJQ-CQSZACIVSA-N 1 2 340.345 3.632 20 0 EHADLO C[S@@](=O)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000155720778 1134375170 /nfs/dbraw/zinc/37/51/70/1134375170.db2.gz MAAVCQAADNJMRP-HXOBKFHXSA-N 1 2 342.489 3.760 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc4[nH]c(=O)oc4c3)c2)[nH+]c1C ZINC000746882034 1134375450 /nfs/dbraw/zinc/37/54/50/1134375450.db2.gz SPFVEKCVMLXBHJ-UHFFFAOYSA-N 1 2 348.362 3.793 20 0 EHADLO Cc1c[nH+]c(C)c(Nc2cc(I)ccc2O)c1 ZINC001203667511 1134376587 /nfs/dbraw/zinc/37/65/87/1134376587.db2.gz MXYUXZGLHWDOJG-UHFFFAOYSA-N 1 2 340.164 3.752 20 0 EHADLO CC(C)(C)CS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790421964 1134414314 /nfs/dbraw/zinc/41/43/14/1134414314.db2.gz IWTASZKIOXAKAL-UHFFFAOYSA-N 1 2 348.468 3.641 20 0 EHADLO CSc1cccc(NC(=O)NCc2c[nH+]c3c(C)cccn23)c1 ZINC001188055343 1134415366 /nfs/dbraw/zinc/41/53/66/1134415366.db2.gz WMNDBTPJVOROCQ-UHFFFAOYSA-N 1 2 326.425 3.686 20 0 EHADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CCC[C@@H]1c1ccsc1)C2 ZINC000790439259 1134418275 /nfs/dbraw/zinc/41/82/75/1134418275.db2.gz VSIFTLGTZDSBHR-QGZVFWFLSA-N 1 2 328.437 3.507 20 0 EHADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CCC[C@@H]1c1ccsc1)C2 ZINC000790439259 1134418278 /nfs/dbraw/zinc/41/82/78/1134418278.db2.gz VSIFTLGTZDSBHR-QGZVFWFLSA-N 1 2 328.437 3.507 20 0 EHADLO O=C(Cc1cccc(C(F)F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790545789 1134438337 /nfs/dbraw/zinc/43/83/37/1134438337.db2.gz FEECQCSCPZCSEW-UHFFFAOYSA-N 1 2 341.361 3.669 20 0 EHADLO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)CCS2 ZINC000790750141 1134462437 /nfs/dbraw/zinc/46/24/37/1134462437.db2.gz NYCHDHLYTQQTAN-DOMZBBRYSA-N 1 2 329.473 3.513 20 0 EHADLO CC[C@@H](c1nnc(SCc2ccc[nH+]c2N)o1)c1ccccc1 ZINC001188743167 1134503886 /nfs/dbraw/zinc/50/38/86/1134503886.db2.gz GOXCOYRBLBBKLJ-CQSZACIVSA-N 1 2 326.425 3.881 20 0 EHADLO Cc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)cnc1Cl ZINC000775204747 1134516587 /nfs/dbraw/zinc/51/65/87/1134516587.db2.gz CRZYXSZPZQRYLR-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO COCc1cccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791303092 1134527540 /nfs/dbraw/zinc/52/75/40/1134527540.db2.gz WFBPFQGVDOSFCG-UHFFFAOYSA-N 1 2 336.391 3.684 20 0 EHADLO COc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c(F)c1 ZINC000791280941 1134528917 /nfs/dbraw/zinc/52/89/17/1134528917.db2.gz QZZPBGVOOYIALP-UHFFFAOYSA-N 1 2 340.354 3.685 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[C@@H](C)c1ccncc1 ZINC000791417693 1134548631 /nfs/dbraw/zinc/54/86/31/1134548631.db2.gz FWGVQMIBIPQJOB-MRXNPFEDSA-N 1 2 335.407 3.813 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC1CCSCC1 ZINC000791419653 1134549191 /nfs/dbraw/zinc/54/91/91/1134549191.db2.gz VUUNGWBJUSIFGW-UHFFFAOYSA-N 1 2 330.453 3.757 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccnc(Cl)c1F ZINC000791437965 1134549672 /nfs/dbraw/zinc/54/96/72/1134549672.db2.gz PDJWUZWRHLYFPS-UHFFFAOYSA-N 1 2 345.761 3.725 20 0 EHADLO CC[N@H+](CCS(=O)(=O)Cc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000791445079 1134551787 /nfs/dbraw/zinc/55/17/87/1134551787.db2.gz KHJOTMAKINVCHN-INIZCTEOSA-N 1 2 349.471 3.824 20 0 EHADLO CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000791445079 1134551791 /nfs/dbraw/zinc/55/17/91/1134551791.db2.gz KHJOTMAKINVCHN-INIZCTEOSA-N 1 2 349.471 3.824 20 0 EHADLO Cc1ncsc1/C=C/C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791453654 1134554142 /nfs/dbraw/zinc/55/41/42/1134554142.db2.gz GOUCXDBATNLUMG-AATRIKPKSA-N 1 2 339.420 3.702 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-c2cn[nH]c2)c1 ZINC001189229206 1134554471 /nfs/dbraw/zinc/55/44/71/1134554471.db2.gz UGWIGAVBHWOWEQ-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C[C@H]2CC2(Cl)Cl)sc1C ZINC000791614749 1134576845 /nfs/dbraw/zinc/57/68/45/1134576845.db2.gz IPQKRTUKOCABHT-NXEZZACHSA-N 1 2 349.283 3.569 20 0 EHADLO COC(=O)c1nc([C@H]2CCC[N@H+]2C[C@H]2CC2(Cl)Cl)sc1C ZINC000791614749 1134576849 /nfs/dbraw/zinc/57/68/49/1134576849.db2.gz IPQKRTUKOCABHT-NXEZZACHSA-N 1 2 349.283 3.569 20 0 EHADLO CC(C(=O)OCc1cc[nH+]c(N)c1)(c1ccccc1)c1ccccc1 ZINC000791857935 1134613281 /nfs/dbraw/zinc/61/32/81/1134613281.db2.gz XWEDDKKQYXRPMI-UHFFFAOYSA-N 1 2 332.403 3.713 20 0 EHADLO Cc1nonc1C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000775291051 1134614570 /nfs/dbraw/zinc/61/45/70/1134614570.db2.gz NAXYMZIHJFYPOU-QGZVFWFLSA-N 1 2 329.350 3.730 20 0 EHADLO C/C(=C\C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1C(F)(F)F ZINC000791955666 1134638665 /nfs/dbraw/zinc/63/86/65/1134638665.db2.gz RONJIIBFJSIVBE-DHZHZOJOSA-N 1 2 336.313 3.829 20 0 EHADLO Cc1nc(C2CCCCC2)sc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792090276 1134653710 /nfs/dbraw/zinc/65/37/10/1134653710.db2.gz ZOYLHCCDSHSNHZ-UHFFFAOYSA-N 1 2 331.441 3.833 20 0 EHADLO O=C(Nc1ccc(-c2ccncn2)cc1)c1ccccc1-n1cc[nH+]c1 ZINC001190099008 1134655046 /nfs/dbraw/zinc/65/50/46/1134655046.db2.gz FEPYTWQYFSGPHK-UHFFFAOYSA-N 1 2 341.374 3.582 20 0 EHADLO O=C(Nc1cccc(C(F)(F)F)c1O)c1ccccc1-n1cc[nH+]c1 ZINC001190100278 1134655993 /nfs/dbraw/zinc/65/59/93/1134655993.db2.gz QXCYCPHTNWLIAD-UHFFFAOYSA-N 1 2 347.296 3.849 20 0 EHADLO C[C@@H](NC(=O)c1ccccc1-n1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC001190106802 1134656604 /nfs/dbraw/zinc/65/66/04/1134656604.db2.gz KCPGCTJBOJPADT-GFCCVEGCSA-N 1 2 327.334 3.642 20 0 EHADLO Cc1n[nH]c(C)c1-c1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001190149113 1134660465 /nfs/dbraw/zinc/66/04/65/1134660465.db2.gz SFBRWDNKVAKBIP-UHFFFAOYSA-N 1 2 331.379 3.594 20 0 EHADLO CC(C)(NC(=O)c1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccn1 ZINC001190115337 1134662342 /nfs/dbraw/zinc/66/23/42/1134662342.db2.gz VORUBRLICKPZPI-UHFFFAOYSA-N 1 2 340.814 3.586 20 0 EHADLO CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001190639380 1134731168 /nfs/dbraw/zinc/73/11/68/1134731168.db2.gz NDTZAHRIOIWLAR-CQSZACIVSA-N 1 2 332.275 3.695 20 0 EHADLO Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)o1 ZINC001191208874 1134816535 /nfs/dbraw/zinc/81/65/35/1134816535.db2.gz XALUBGZVGIYGDC-KRWDZBQOSA-N 1 2 335.407 3.998 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H](F)CC1CCCCC1 ZINC000792918712 1134825621 /nfs/dbraw/zinc/82/56/21/1134825621.db2.gz WAESHXMWOSRVPB-LJQANCHMSA-N 1 2 343.446 3.856 20 0 EHADLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1OC(F)F ZINC000747112750 1134905863 /nfs/dbraw/zinc/90/58/63/1134905863.db2.gz RQBLAEJOAOBIBQ-FLIBITNWSA-N 1 2 332.350 3.764 20 0 EHADLO Cc1[nH+]cc(CNc2cc(Br)ccn2)n1-c1ccccc1 ZINC000775486402 1134929614 /nfs/dbraw/zinc/92/96/14/1134929614.db2.gz AEWMHCFNYGWTDK-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000793485787 1134939014 /nfs/dbraw/zinc/93/90/14/1134939014.db2.gz DBUPZXSYPUVFOR-LEWJYISDSA-N 1 2 334.463 3.872 20 0 EHADLO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000793485787 1134939022 /nfs/dbraw/zinc/93/90/22/1134939022.db2.gz DBUPZXSYPUVFOR-LEWJYISDSA-N 1 2 334.463 3.872 20 0 EHADLO Cn1cc[nH+]c1CCNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001192059145 1134962601 /nfs/dbraw/zinc/96/26/01/1134962601.db2.gz BTOGFXWBJLURED-UHFFFAOYSA-N 1 2 347.633 3.745 20 0 EHADLO Clc1c(C[N@@H+]2CCOCC3(CCC3)C2)cnn1Cc1ccccc1 ZINC000793586570 1134963586 /nfs/dbraw/zinc/96/35/86/1134963586.db2.gz JIRSSBHSSJCYMZ-UHFFFAOYSA-N 1 2 345.874 3.587 20 0 EHADLO Clc1c(C[N@H+]2CCOCC3(CCC3)C2)cnn1Cc1ccccc1 ZINC000793586570 1134963593 /nfs/dbraw/zinc/96/35/93/1134963593.db2.gz JIRSSBHSSJCYMZ-UHFFFAOYSA-N 1 2 345.874 3.587 20 0 EHADLO C[N@H+](CCOC(C)(C)C)Cc1cnn(Cc2ccccc2)c1Cl ZINC000793590791 1134964924 /nfs/dbraw/zinc/96/49/24/1134964924.db2.gz MYUBJTUQDVPNAF-UHFFFAOYSA-N 1 2 335.879 3.832 20 0 EHADLO C[N@@H+](CCOC(C)(C)C)Cc1cnn(Cc2ccccc2)c1Cl ZINC000793590791 1134964929 /nfs/dbraw/zinc/96/49/29/1134964929.db2.gz MYUBJTUQDVPNAF-UHFFFAOYSA-N 1 2 335.879 3.832 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000793628231 1134975002 /nfs/dbraw/zinc/97/50/02/1134975002.db2.gz KHEVWAJOLIHDMH-HXUWFJFHSA-N 1 2 349.434 3.647 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000793628231 1134975006 /nfs/dbraw/zinc/97/50/06/1134975006.db2.gz KHEVWAJOLIHDMH-HXUWFJFHSA-N 1 2 349.434 3.647 20 0 EHADLO Cc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC001192201821 1134979073 /nfs/dbraw/zinc/97/90/73/1134979073.db2.gz XOFYGNULBVRQGP-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO Cc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC001192201821 1134979079 /nfs/dbraw/zinc/97/90/79/1134979079.db2.gz XOFYGNULBVRQGP-GFCCVEGCSA-N 1 2 328.250 3.529 20 0 EHADLO FC(F)(F)CN1CCC(Nc2cc(-c3ccncc3)cc[nH+]2)CC1 ZINC001170441121 1135006842 /nfs/dbraw/zinc/00/68/42/1135006842.db2.gz ZTEODHFJNQVVTQ-UHFFFAOYSA-N 1 2 336.361 3.582 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444131 1135020390 /nfs/dbraw/zinc/02/03/90/1135020390.db2.gz SXLHHESVHSLOAN-GDBMZVCRSA-N 1 2 339.863 3.771 20 0 EHADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444131 1135020397 /nfs/dbraw/zinc/02/03/97/1135020397.db2.gz SXLHHESVHSLOAN-GDBMZVCRSA-N 1 2 339.863 3.771 20 0 EHADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC000775554269 1135068568 /nfs/dbraw/zinc/06/85/68/1135068568.db2.gz WGQQICDQDLRYCS-QGZVFWFLSA-N 1 2 330.428 3.828 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001193002074 1135083421 /nfs/dbraw/zinc/08/34/21/1135083421.db2.gz YXORZALSKCDSNR-UHFFFAOYSA-N 1 2 345.284 3.768 20 0 EHADLO C[C@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977606 1135086662 /nfs/dbraw/zinc/08/66/62/1135086662.db2.gz XPQDBSLKMIIULB-XHDPSFHLSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCN1CC(F)(F)F ZINC001192977606 1135086666 /nfs/dbraw/zinc/08/66/66/1135086666.db2.gz XPQDBSLKMIIULB-XHDPSFHLSA-N 1 2 332.797 3.896 20 0 EHADLO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1noc(Cc2ccccc2)n1 ZINC001193155586 1135110148 /nfs/dbraw/zinc/11/01/48/1135110148.db2.gz XWQYOAGEFBIASL-ZBFHGGJFSA-N 1 2 329.444 3.659 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC001193187816 1135116737 /nfs/dbraw/zinc/11/67/37/1135116737.db2.gz HSEYIPBHFJDAIN-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000775583328 1135118932 /nfs/dbraw/zinc/11/89/32/1135118932.db2.gz SKSFFCONOLWJID-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000775583328 1135118935 /nfs/dbraw/zinc/11/89/35/1135118935.db2.gz SKSFFCONOLWJID-VMDGZTHMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000775583330 1135119026 /nfs/dbraw/zinc/11/90/26/1135119026.db2.gz SKSFFCONOLWJID-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000775583330 1135119029 /nfs/dbraw/zinc/11/90/29/1135119029.db2.gz SKSFFCONOLWJID-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000775590582 1135124804 /nfs/dbraw/zinc/12/48/04/1135124804.db2.gz BQTAPSJNFRYJEW-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000775590582 1135124807 /nfs/dbraw/zinc/12/48/07/1135124807.db2.gz BQTAPSJNFRYJEW-ZNZDAUKMSA-N 1 2 349.833 3.975 20 0 EHADLO O=C(Nc1ccc(Cl)nc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747202917 1135145051 /nfs/dbraw/zinc/14/50/51/1135145051.db2.gz FSBFYGIVBSSWAJ-INIZCTEOSA-N 1 2 347.821 3.867 20 0 EHADLO O=C(Nc1ccc(Cl)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747202917 1135145054 /nfs/dbraw/zinc/14/50/54/1135145054.db2.gz FSBFYGIVBSSWAJ-INIZCTEOSA-N 1 2 347.821 3.867 20 0 EHADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)cc(F)c1Br ZINC001129820453 1135165765 /nfs/dbraw/zinc/16/57/65/1135165765.db2.gz WZEAMLOAYJALIJ-UHFFFAOYSA-N 1 2 348.175 3.797 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2coc(-c3ccccc3Cl)n2)c[nH+]1 ZINC001129841629 1135168893 /nfs/dbraw/zinc/16/88/93/1135168893.db2.gz JDSVPIUCDPMMIZ-UHFFFAOYSA-N 1 2 341.798 3.937 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684539 1135171468 /nfs/dbraw/zinc/17/14/68/1135171468.db2.gz BKFUEGNWNOCDGL-NHYWBVRUSA-N 1 2 346.254 3.646 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001193684539 1135171472 /nfs/dbraw/zinc/17/14/72/1135171472.db2.gz BKFUEGNWNOCDGL-NHYWBVRUSA-N 1 2 346.254 3.646 20 0 EHADLO Cc1cc(CNC(=O)c2cc3ccccc3c(Cl)n2)cc(C)[nH+]1 ZINC001130042966 1135225807 /nfs/dbraw/zinc/22/58/07/1135225807.db2.gz JKRFTGVAOCIZGV-UHFFFAOYSA-N 1 2 325.799 3.830 20 0 EHADLO Cc1c(Br)cccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC001194240185 1135248477 /nfs/dbraw/zinc/24/84/77/1135248477.db2.gz HTPWRLLOLJKEHV-UHFFFAOYSA-N 1 2 348.240 3.858 20 0 EHADLO Cc1c(Br)cccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC001194240185 1135248481 /nfs/dbraw/zinc/24/84/81/1135248481.db2.gz HTPWRLLOLJKEHV-UHFFFAOYSA-N 1 2 348.240 3.858 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC001194541066 1135283955 /nfs/dbraw/zinc/28/39/55/1135283955.db2.gz BWNVRQUBNWYRDC-ZYHUDNBSSA-N 1 2 331.243 3.827 20 0 EHADLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC001194541066 1135283958 /nfs/dbraw/zinc/28/39/58/1135283958.db2.gz BWNVRQUBNWYRDC-ZYHUDNBSSA-N 1 2 331.243 3.827 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805792828 1135328520 /nfs/dbraw/zinc/32/85/20/1135328520.db2.gz HOLZKVUUEAXDIT-GJZGRUSLSA-N 1 2 333.863 3.751 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805792828 1135328526 /nfs/dbraw/zinc/32/85/26/1135328526.db2.gz HOLZKVUUEAXDIT-GJZGRUSLSA-N 1 2 333.863 3.751 20 0 EHADLO CN(CCc1ccc(F)cc1)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194896023 1135336734 /nfs/dbraw/zinc/33/67/34/1135336734.db2.gz YRFWHZCUIZIQOE-UHFFFAOYSA-N 1 2 337.398 3.541 20 0 EHADLO Cc1ccc(CCCO)c(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001194907116 1135338651 /nfs/dbraw/zinc/33/86/51/1135338651.db2.gz KYCGCXIXSRSJJL-UHFFFAOYSA-N 1 2 349.434 3.573 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)cc1C ZINC000775647994 1135398319 /nfs/dbraw/zinc/39/83/19/1135398319.db2.gz LJOQYOZJSKOZKL-UHFFFAOYSA-N 1 2 327.497 3.571 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000806158310 1135404370 /nfs/dbraw/zinc/40/43/70/1135404370.db2.gz XGIBAVWSHVHCON-OAHLLOKOSA-N 1 2 333.439 3.823 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000806158310 1135404375 /nfs/dbraw/zinc/40/43/75/1135404375.db2.gz XGIBAVWSHVHCON-OAHLLOKOSA-N 1 2 333.439 3.823 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nsc2ccccc12)CC1CC1 ZINC001195342410 1135414438 /nfs/dbraw/zinc/41/44/38/1135414438.db2.gz PCWPZVPBLIVAPS-GOSISDBHSA-N 1 2 332.469 3.850 20 0 EHADLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nsc2ccccc12)CC1CC1 ZINC001195342410 1135414440 /nfs/dbraw/zinc/41/44/40/1135414440.db2.gz PCWPZVPBLIVAPS-GOSISDBHSA-N 1 2 332.469 3.850 20 0 EHADLO Fc1ccc(N2CCC[N@H+](Cc3c(F)ccc(F)c3F)CC2)cc1 ZINC001137934593 1135437339 /nfs/dbraw/zinc/43/73/39/1135437339.db2.gz DIRBPUMIZVJAMP-UHFFFAOYSA-N 1 2 338.348 3.955 20 0 EHADLO Fc1ccc(N2CCC[N@@H+](Cc3c(F)ccc(F)c3F)CC2)cc1 ZINC001137934593 1135437342 /nfs/dbraw/zinc/43/73/42/1135437342.db2.gz DIRBPUMIZVJAMP-UHFFFAOYSA-N 1 2 338.348 3.955 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)Nc1ccccc1F ZINC001195771208 1135463341 /nfs/dbraw/zinc/46/33/41/1135463341.db2.gz TVHLZXXTPXYOFN-UHFFFAOYSA-N 1 2 340.427 3.840 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000775669505 1135465575 /nfs/dbraw/zinc/46/55/75/1135465575.db2.gz AEYYVCXOUYUWPL-DOTOQJQBSA-N 1 2 345.874 3.797 20 0 EHADLO COC(=O)C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001195963606 1135494113 /nfs/dbraw/zinc/49/41/13/1135494113.db2.gz PHUBWJDKBFBQRX-UHFFFAOYSA-N 1 2 345.361 3.719 20 0 EHADLO COC(=O)C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001195963606 1135494116 /nfs/dbraw/zinc/49/41/16/1135494116.db2.gz PHUBWJDKBFBQRX-UHFFFAOYSA-N 1 2 345.361 3.719 20 0 EHADLO O=C1[C@H]([NH+]2CCC(C3CCC3)CC2)CCN1c1c(F)cccc1F ZINC001195946433 1135498156 /nfs/dbraw/zinc/49/81/56/1135498156.db2.gz JZHFVDSCKXNFCE-QGZVFWFLSA-N 1 2 334.410 3.582 20 0 EHADLO Cc1cc(F)ccc1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001196096598 1135516765 /nfs/dbraw/zinc/51/67/65/1135516765.db2.gz YZLALBNLZNBKOA-UHFFFAOYSA-N 1 2 345.443 3.769 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C)n(CC)c2=S)cc1 ZINC000102389069 1135538868 /nfs/dbraw/zinc/53/88/68/1135538868.db2.gz QZKAAORXMSIKBK-QGZVFWFLSA-N 1 2 346.500 3.936 20 0 EHADLO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)n(CC)c2=S)cc1 ZINC000102389069 1135538873 /nfs/dbraw/zinc/53/88/73/1135538873.db2.gz QZKAAORXMSIKBK-QGZVFWFLSA-N 1 2 346.500 3.936 20 0 EHADLO COc1ccccc1NC(=S)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001196277824 1135542375 /nfs/dbraw/zinc/54/23/75/1135542375.db2.gz GQTSGRPYMHXSFT-ZDUSSCGKSA-N 1 2 340.452 3.699 20 0 EHADLO CC/C(=C/C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(OC)cc1 ZINC000747404091 1135551799 /nfs/dbraw/zinc/55/17/99/1135551799.db2.gz ZWPUUOBLDXUMIV-ZUTYSQTGSA-N 1 2 339.439 3.549 20 0 EHADLO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cccc(Cl)c2O)C1 ZINC001131045409 1135570823 /nfs/dbraw/zinc/57/08/23/1135570823.db2.gz LAZLYHWAOXRZLQ-AWEZNQCLSA-N 1 2 344.842 3.569 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H](C)C3CCC3)n2)C1 ZINC000867182132 1135578701 /nfs/dbraw/zinc/57/87/01/1135578701.db2.gz SCVSEYDDFJUTLN-QAPCUYQASA-N 1 2 341.455 3.855 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H](C)C3CCC3)n2)C1 ZINC000867182132 1135578706 /nfs/dbraw/zinc/57/87/06/1135578706.db2.gz SCVSEYDDFJUTLN-QAPCUYQASA-N 1 2 341.455 3.855 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H]3CC=CCC3)n2)C1 ZINC000867188654 1135588518 /nfs/dbraw/zinc/58/85/18/1135588518.db2.gz YRJAQPHMAMPJSE-WMZOPIPTSA-N 1 2 339.439 3.775 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H]3CC=CCC3)n2)C1 ZINC000867188654 1135588524 /nfs/dbraw/zinc/58/85/24/1135588524.db2.gz YRJAQPHMAMPJSE-WMZOPIPTSA-N 1 2 339.439 3.775 20 0 EHADLO O=C(c1ccc(-c2cccs2)nc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001196783880 1135608772 /nfs/dbraw/zinc/60/87/72/1135608772.db2.gz PMNFKRAYAOOELE-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1ccc(-c2cccs2)nc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001196783880 1135608773 /nfs/dbraw/zinc/60/87/73/1135608773.db2.gz PMNFKRAYAOOELE-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@@](C)(CC)CC1=O)CCC2 ZINC000808170040 1135629415 /nfs/dbraw/zinc/62/94/15/1135629415.db2.gz AOYLWSSDIUHYCS-KDOFPFPSSA-N 1 2 335.517 3.621 20 0 EHADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@@](C)(CC)CC1=O)CCC2 ZINC000808170040 1135629420 /nfs/dbraw/zinc/62/94/20/1135629420.db2.gz AOYLWSSDIUHYCS-KDOFPFPSSA-N 1 2 335.517 3.621 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000808167918 1135629495 /nfs/dbraw/zinc/62/94/95/1135629495.db2.gz GDPJVZWRUXZQTF-INIZCTEOSA-N 1 2 344.377 3.623 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000808167918 1135629499 /nfs/dbraw/zinc/62/94/99/1135629499.db2.gz GDPJVZWRUXZQTF-INIZCTEOSA-N 1 2 344.377 3.623 20 0 EHADLO CC(C)c1cc(N[C@H]2COc3ccccc3[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000808167686 1135629814 /nfs/dbraw/zinc/62/98/14/1135629814.db2.gz HCJJQJOEVWMXFA-YJBOKZPZSA-N 1 2 327.428 3.630 20 0 EHADLO S=C(Nc1ccn2cc[nH+]c2c1)Nc1cccc(Br)c1 ZINC001196982390 1135637209 /nfs/dbraw/zinc/63/72/09/1135637209.db2.gz ZURCKUPCYFWWHF-UHFFFAOYSA-N 1 2 347.241 3.906 20 0 EHADLO C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000808254471 1135637957 /nfs/dbraw/zinc/63/79/57/1135637957.db2.gz IMUXPIDEUXAJIF-ZDUSSCGKSA-N 1 2 340.814 3.544 20 0 EHADLO C[N@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccc2cc[nH]c2c1 ZINC001197202258 1135658867 /nfs/dbraw/zinc/65/88/67/1135658867.db2.gz MVUVVDYVUUQWLR-UHFFFAOYSA-N 1 2 336.370 3.989 20 0 EHADLO C[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccc2cc[nH]c2c1 ZINC001197202258 1135658874 /nfs/dbraw/zinc/65/88/74/1135658874.db2.gz MVUVVDYVUUQWLR-UHFFFAOYSA-N 1 2 336.370 3.989 20 0 EHADLO Fc1ccc(OCC[N@@H+]2CCCC[C@H]2c2ncccn2)cc1Cl ZINC001197450380 1135689318 /nfs/dbraw/zinc/68/93/18/1135689318.db2.gz QOWHXVIPRSDBOQ-INIZCTEOSA-N 1 2 335.810 3.875 20 0 EHADLO Fc1ccc(OCC[N@H+]2CCCC[C@H]2c2ncccn2)cc1Cl ZINC001197450380 1135689320 /nfs/dbraw/zinc/68/93/20/1135689320.db2.gz QOWHXVIPRSDBOQ-INIZCTEOSA-N 1 2 335.810 3.875 20 0 EHADLO CCCCC[C@@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001273743339 1135692101 /nfs/dbraw/zinc/69/21/01/1135692101.db2.gz XZEZTFOLMYJIQV-QGZVFWFLSA-N 1 2 331.504 3.656 20 0 EHADLO C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1nc2ccccc2s1 ZINC000808747052 1135727628 /nfs/dbraw/zinc/72/76/28/1135727628.db2.gz YQCDJIGHKXFQJU-CYBMUJFWSA-N 1 2 335.436 3.728 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ncsc2C(C)C)c1C ZINC000808913071 1135759872 /nfs/dbraw/zinc/75/98/72/1135759872.db2.gz GJFUUYICTNTTSS-UHFFFAOYSA-N 1 2 334.445 3.609 20 0 EHADLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC2)c1 ZINC001131737166 1135845950 /nfs/dbraw/zinc/84/59/50/1135845950.db2.gz KRDRYNZMDDNCFL-KRWDZBQOSA-N 1 2 346.515 3.802 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC001198676299 1135846638 /nfs/dbraw/zinc/84/66/38/1135846638.db2.gz MJQCEOUYVBNIBB-KHYOSLBOSA-N 1 2 331.456 3.508 20 0 EHADLO COC(=O)[C@@H]1Cc2ccc(O)cc2C[N@H+]1CC[C@H]1CCC[C@H](C)C1 ZINC001198676299 1135846643 /nfs/dbraw/zinc/84/66/43/1135846643.db2.gz MJQCEOUYVBNIBB-KHYOSLBOSA-N 1 2 331.456 3.508 20 0 EHADLO C[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@@H]1CCCCO1 ZINC000809552720 1135855782 /nfs/dbraw/zinc/85/57/82/1135855782.db2.gz YFHPMCNUYCMVFD-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO C[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)C[C@@H]1CCCCO1 ZINC000809552720 1135855785 /nfs/dbraw/zinc/85/57/85/1135855785.db2.gz YFHPMCNUYCMVFD-LBPRGKRZSA-N 1 2 328.243 3.642 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000809655713 1135866310 /nfs/dbraw/zinc/86/63/10/1135866310.db2.gz JORPWQNZLMMAQW-ABAIWWIYSA-N 1 2 340.876 3.669 20 0 EHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000809655713 1135866314 /nfs/dbraw/zinc/86/63/14/1135866314.db2.gz JORPWQNZLMMAQW-ABAIWWIYSA-N 1 2 340.876 3.669 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1F ZINC001203923251 1135870679 /nfs/dbraw/zinc/87/06/79/1135870679.db2.gz JMUIENWHAKWZIY-CABCVRRESA-N 1 2 342.842 3.777 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1F ZINC001203923251 1135870681 /nfs/dbraw/zinc/87/06/81/1135870681.db2.gz JMUIENWHAKWZIY-CABCVRRESA-N 1 2 342.842 3.777 20 0 EHADLO CC(C)c1ncsc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001131842181 1135873852 /nfs/dbraw/zinc/87/38/52/1135873852.db2.gz IQIZUZQGHZFUAC-HNNXBMFYSA-N 1 2 343.496 3.786 20 0 EHADLO C[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)Cc1ccc(O)cc1 ZINC000809753234 1135885714 /nfs/dbraw/zinc/88/57/14/1135885714.db2.gz DKJOZZRBINXBIO-UHFFFAOYSA-N 1 2 341.842 3.922 20 0 EHADLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)Cc1ccc(O)cc1 ZINC000809753234 1135885718 /nfs/dbraw/zinc/88/57/18/1135885718.db2.gz DKJOZZRBINXBIO-UHFFFAOYSA-N 1 2 341.842 3.922 20 0 EHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000775980303 1135908213 /nfs/dbraw/zinc/90/82/13/1135908213.db2.gz PCUBPWRKJXUKGY-NWDGAFQWSA-N 1 2 348.413 3.574 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000810029269 1135914932 /nfs/dbraw/zinc/91/49/32/1135914932.db2.gz DDLOQSVMQMHAMY-AZUAARDMSA-N 1 2 338.451 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000810029269 1135914934 /nfs/dbraw/zinc/91/49/34/1135914934.db2.gz DDLOQSVMQMHAMY-AZUAARDMSA-N 1 2 338.451 3.668 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000810093018 1135923376 /nfs/dbraw/zinc/92/33/76/1135923376.db2.gz KEYLKICRAWRLJD-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000810093018 1135923380 /nfs/dbraw/zinc/92/33/80/1135923380.db2.gz KEYLKICRAWRLJD-UYAOXDASSA-N 1 2 342.483 3.782 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810129467 1135925138 /nfs/dbraw/zinc/92/51/38/1135925138.db2.gz FWCJLJDWNCHGTL-LSDHHAIUSA-N 1 2 327.428 3.912 20 0 EHADLO CC[C@@H](C)n1nc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776029026 1135934295 /nfs/dbraw/zinc/93/42/95/1135934295.db2.gz CATVTWXFMRFWTB-UKRRQHHQSA-N 1 2 346.479 3.595 20 0 EHADLO Cc1cc([C@@H](C)[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)no1 ZINC000810232964 1135941906 /nfs/dbraw/zinc/94/19/06/1135941906.db2.gz PBDYSHLXBUEYEN-QMTHXVAHSA-N 1 2 348.752 3.737 20 0 EHADLO S=C(Nc1ccccc1Cl)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001200870627 1135962161 /nfs/dbraw/zinc/96/21/61/1135962161.db2.gz PMPMJRVTKPCGKC-ZDUSSCGKSA-N 1 2 346.887 3.690 20 0 EHADLO CCCCCCNC(=S)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001200961329 1135968710 /nfs/dbraw/zinc/96/87/10/1135968710.db2.gz UIGMXBPNLZLUMG-UHFFFAOYSA-N 1 2 348.491 3.615 20 0 EHADLO Cn1c[nH+]cc1CCOC(=O)C1(Cc2cccs2)CCCCC1 ZINC000810697203 1135997977 /nfs/dbraw/zinc/99/79/77/1135997977.db2.gz DGCCDYNCXDKLAZ-UHFFFAOYSA-N 1 2 332.469 3.761 20 0 EHADLO Nc1ccc(Nc2ccc(I)c(Cl)c2)c[nH+]1 ZINC001201284690 1136000846 /nfs/dbraw/zinc/00/08/46/1136000846.db2.gz WBDGTCDOINLHCX-UHFFFAOYSA-N 1 2 345.571 3.665 20 0 EHADLO Cc1ccc(-n2nc3c(c2Nc2ccc(N)[nH+]c2)CSC3)c(C)c1 ZINC001201278155 1136003119 /nfs/dbraw/zinc/00/31/19/1136003119.db2.gz COJOFQBZCXINTN-UHFFFAOYSA-N 1 2 337.452 3.957 20 0 EHADLO CC(C)C(COC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000810875158 1136015516 /nfs/dbraw/zinc/01/55/16/1136015516.db2.gz SARAITCMFNICNA-UHFFFAOYSA-N 1 2 328.456 3.945 20 0 EHADLO Cc1cncc(COCc2cnc3n2CC[N@@H+](CC(C)(C)C)[C@H]3C)c1 ZINC001201434386 1136023860 /nfs/dbraw/zinc/02/38/60/1136023860.db2.gz ANYXUEWVCRFWIJ-INIZCTEOSA-N 1 2 342.487 3.726 20 0 EHADLO Cc1cncc(COCc2cnc3n2CC[N@H+](CC(C)(C)C)[C@H]3C)c1 ZINC001201434386 1136023863 /nfs/dbraw/zinc/02/38/63/1136023863.db2.gz ANYXUEWVCRFWIJ-INIZCTEOSA-N 1 2 342.487 3.726 20 0 EHADLO CCN(CC)c1ccc(NCc2ccc(O[C@H]3CCOC3)cc2)c[nH+]1 ZINC001201572873 1136042419 /nfs/dbraw/zinc/04/24/19/1136042419.db2.gz FDWMAGDWKPIOFU-IBGZPJMESA-N 1 2 341.455 3.708 20 0 EHADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000747681191 1136052969 /nfs/dbraw/zinc/05/29/69/1136052969.db2.gz IZIXHAUWOLPYIO-DOMZBBRYSA-N 1 2 343.298 3.681 20 0 EHADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000747681191 1136052973 /nfs/dbraw/zinc/05/29/73/1136052973.db2.gz IZIXHAUWOLPYIO-DOMZBBRYSA-N 1 2 343.298 3.681 20 0 EHADLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201935864 1136073335 /nfs/dbraw/zinc/07/33/35/1136073335.db2.gz QBQZABRPUCXARS-VQTJNVASSA-N 1 2 346.434 3.570 20 0 EHADLO Cc1nc2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)cc2o1 ZINC001133033060 1136146213 /nfs/dbraw/zinc/14/62/13/1136146213.db2.gz PKPWOFSEXMOXGC-GOSISDBHSA-N 1 2 346.390 3.504 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000811860918 1136148529 /nfs/dbraw/zinc/14/85/29/1136148529.db2.gz PBDDIPVWBIYBIX-MRXNPFEDSA-N 1 2 331.460 3.555 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cn1)C2 ZINC000338916734 1136163377 /nfs/dbraw/zinc/16/33/77/1136163377.db2.gz IFKNTURMLLUPRE-VXGBXAGGSA-N 1 2 346.862 3.564 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccc(Cl)cn1)CC2 ZINC000338916734 1136163379 /nfs/dbraw/zinc/16/33/79/1136163379.db2.gz IFKNTURMLLUPRE-VXGBXAGGSA-N 1 2 346.862 3.564 20 0 EHADLO CCSc1ccccc1CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001133308024 1136212822 /nfs/dbraw/zinc/21/28/22/1136212822.db2.gz QEGUNNNGALMXKT-UHFFFAOYSA-N 1 2 339.464 3.727 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1nc2c(s1)CCCC2 ZINC000850143259 1136214400 /nfs/dbraw/zinc/21/44/00/1136214400.db2.gz GYKIOHXKMMBPJA-SECBINFHSA-N 1 2 344.406 3.625 20 0 EHADLO COc1cncc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000850179645 1136217607 /nfs/dbraw/zinc/21/76/07/1136217607.db2.gz JAKSYPMSZDIASD-UHFFFAOYSA-N 1 2 339.464 3.622 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n(C)c1C ZINC000812745940 1136241183 /nfs/dbraw/zinc/24/11/83/1136241183.db2.gz NKGNGFLCHACWKM-GOSISDBHSA-N 1 2 348.393 3.735 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n(C)c1C ZINC000812745940 1136241187 /nfs/dbraw/zinc/24/11/87/1136241187.db2.gz NKGNGFLCHACWKM-GOSISDBHSA-N 1 2 348.393 3.735 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc2c(c1)CCCO2 ZINC000850443886 1136259607 /nfs/dbraw/zinc/25/96/07/1136259607.db2.gz OTFIFKHXOUMCSI-PXAZEXFGSA-N 1 2 333.378 3.674 20 0 EHADLO CCOC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000850453987 1136262064 /nfs/dbraw/zinc/26/20/64/1136262064.db2.gz DPCGAVNUTOCFLN-ACBHZAAOSA-N 1 2 347.499 3.877 20 0 EHADLO COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000850457460 1136263156 /nfs/dbraw/zinc/26/31/56/1136263156.db2.gz MEZPQKHMBIKZRU-HOTGVXAUSA-N 1 2 348.487 3.692 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832010 1136279884 /nfs/dbraw/zinc/27/98/84/1136279884.db2.gz LSUATBNREKMUOZ-QLFBSQMISA-N 1 2 331.485 3.588 20 0 EHADLO COc1cc2ccc(C(=O)Nc3c(C)c[nH+]cc3C)cc2cc1OC ZINC001133685871 1136312971 /nfs/dbraw/zinc/31/29/71/1136312971.db2.gz IHFLIKPACZJJKZ-UHFFFAOYSA-N 1 2 336.391 3.543 20 0 EHADLO CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cn3c([nH+]2)CCCC3)c1 ZINC000813329432 1136318672 /nfs/dbraw/zinc/31/86/72/1136318672.db2.gz RWSNRZVLGXCMNW-AWEZNQCLSA-N 1 2 326.444 3.987 20 0 EHADLO Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1Br ZINC000813338106 1136320153 /nfs/dbraw/zinc/32/01/53/1136320153.db2.gz BYPIBVMPPCINNB-UHFFFAOYSA-N 1 2 327.172 3.721 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001133738894 1136324558 /nfs/dbraw/zinc/32/45/58/1136324558.db2.gz LQKHLWDNJRLDKE-NRFANRHFSA-N 1 2 347.462 3.929 20 0 EHADLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OC(C)(C)C ZINC001170709591 1136350618 /nfs/dbraw/zinc/35/06/18/1136350618.db2.gz BUBMYLBDYYFPIE-SUJAAXHWSA-N 1 2 339.520 3.925 20 0 EHADLO Cc1cccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000813609408 1136350878 /nfs/dbraw/zinc/35/08/78/1136350878.db2.gz KUBGPNZAMBKKJC-UHFFFAOYSA-N 1 2 348.450 3.831 20 0 EHADLO Cc1noc(C(C)C)c1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398713 1136375952 /nfs/dbraw/zinc/37/59/52/1136375952.db2.gz ZUYIGCKNRJWAQL-UHFFFAOYSA-N 1 2 343.427 3.575 20 0 EHADLO CSc1ccsc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398411 1136376240 /nfs/dbraw/zinc/37/62/40/1136376240.db2.gz ABLAHZKUPSPQMR-UHFFFAOYSA-N 1 2 348.493 3.938 20 0 EHADLO CC(C)c1ncsc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400519 1136377099 /nfs/dbraw/zinc/37/70/99/1136377099.db2.gz GJPBFMJGHUMWKU-UHFFFAOYSA-N 1 2 345.468 3.735 20 0 EHADLO CCOC(=O)c1cc2c[nH+]c(N[C@@H](C)c3ccc(C)cc3C)nc2[nH]1 ZINC001170723300 1136396611 /nfs/dbraw/zinc/39/66/11/1136396611.db2.gz MXKLKOWZUJVFHG-ZDUSSCGKSA-N 1 2 338.411 3.876 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1ccccc1I ZINC000814174853 1136410482 /nfs/dbraw/zinc/41/04/82/1136410482.db2.gz KXWVHBSQLBSZRG-UHFFFAOYSA-N 1 2 341.192 3.825 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000851713338 1136400995 /nfs/dbraw/zinc/40/09/95/1136400995.db2.gz BSCWKFULDYMIQV-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1ccccc1I ZINC000814174853 1136410481 /nfs/dbraw/zinc/41/04/81/1136410481.db2.gz KXWVHBSQLBSZRG-UHFFFAOYSA-N 1 2 341.192 3.825 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918941 1136419445 /nfs/dbraw/zinc/41/94/45/1136419445.db2.gz GELIZSRZFLHLLE-XJKCOSOUSA-N 1 2 329.362 3.646 20 0 EHADLO CO[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 ZINC000851918941 1136419447 /nfs/dbraw/zinc/41/94/47/1136419447.db2.gz GELIZSRZFLHLLE-XJKCOSOUSA-N 1 2 329.362 3.646 20 0 EHADLO Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]Cc2cnon2)c1 ZINC000851957532 1136422760 /nfs/dbraw/zinc/42/27/60/1136422760.db2.gz PATCEPFRTNYYBK-CQSZACIVSA-N 1 2 340.196 3.602 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](CCc1nsc3ccccc31)[C@@H]2C ZINC000851971699 1136424304 /nfs/dbraw/zinc/42/43/04/1136424304.db2.gz RRRONKVUNMTFHJ-CYBMUJFWSA-N 1 2 341.484 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](CCc1nsc3ccccc31)[C@@H]2C ZINC000851971699 1136424306 /nfs/dbraw/zinc/42/43/06/1136424306.db2.gz RRRONKVUNMTFHJ-CYBMUJFWSA-N 1 2 341.484 3.631 20 0 EHADLO C[C@@H](O)c1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000814238512 1136427491 /nfs/dbraw/zinc/42/74/91/1136427491.db2.gz SWYLVZLVEVHSDB-CQSZACIVSA-N 1 2 325.387 3.736 20 0 EHADLO CCc1oc(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1C(=O)OC ZINC000338942380 1136437689 /nfs/dbraw/zinc/43/76/89/1136437689.db2.gz QQRYJRNJQXUDEH-NSHDSACASA-N 1 2 335.375 3.627 20 0 EHADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1cscn1 ZINC000852416890 1136454508 /nfs/dbraw/zinc/45/45/08/1136454508.db2.gz HHFODLMONOYWCM-SECBINFHSA-N 1 2 343.424 3.747 20 0 EHADLO Cc1c(O)ccc2c(C[N@@H+]3CC[C@H]3c3ccc(F)cc3)cc(=O)oc12 ZINC000852466406 1136457830 /nfs/dbraw/zinc/45/78/30/1136457830.db2.gz CQLDDAGWBZWERS-KRWDZBQOSA-N 1 2 339.366 3.893 20 0 EHADLO Cc1c(O)ccc2c(C[N@H+]3CC[C@H]3c3ccc(F)cc3)cc(=O)oc12 ZINC000852466406 1136457833 /nfs/dbraw/zinc/45/78/33/1136457833.db2.gz CQLDDAGWBZWERS-KRWDZBQOSA-N 1 2 339.366 3.893 20 0 EHADLO OCCCCCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852475776 1136458898 /nfs/dbraw/zinc/45/88/98/1136458898.db2.gz IKPKMEBWWTVUCX-ZDUSSCGKSA-N 1 2 331.382 3.575 20 0 EHADLO OCCCCCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852475776 1136458901 /nfs/dbraw/zinc/45/89/01/1136458901.db2.gz IKPKMEBWWTVUCX-ZDUSSCGKSA-N 1 2 331.382 3.575 20 0 EHADLO CCc1oc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948192 1136468602 /nfs/dbraw/zinc/46/86/02/1136468602.db2.gz OIWUPGYJQAEVFP-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CCc1oc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)OC ZINC000338948192 1136468604 /nfs/dbraw/zinc/46/86/04/1136468604.db2.gz OIWUPGYJQAEVFP-IFXJQAMLSA-N 1 2 343.423 3.591 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nnsc1Cl)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731927 1136481508 /nfs/dbraw/zinc/48/15/08/1136481508.db2.gz NXWGEFJUOKPMEQ-STQMWFEESA-N 1 2 346.283 3.693 20 0 EHADLO Brc1cccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000852760767 1136483665 /nfs/dbraw/zinc/48/36/65/1136483665.db2.gz ANMFOMSTNOBAJS-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO Brc1cccc(C[N@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000852760767 1136483668 /nfs/dbraw/zinc/48/36/68/1136483668.db2.gz ANMFOMSTNOBAJS-UHFFFAOYSA-N 1 2 329.241 3.965 20 0 EHADLO C[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccc2c(c1)CCCO2 ZINC000852783887 1136487125 /nfs/dbraw/zinc/48/71/25/1136487125.db2.gz XUBDHHSJTHUQCQ-LBPRGKRZSA-N 1 2 341.436 3.974 20 0 EHADLO Cc1nc(N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc[nH+]1 ZINC000852971163 1136495494 /nfs/dbraw/zinc/49/54/94/1136495494.db2.gz HJUOJBWLMPMDNQ-UHFFFAOYSA-N 1 2 349.413 3.765 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+](Cc1ccccc1)C1CC1 ZINC000853490119 1136537057 /nfs/dbraw/zinc/53/70/57/1136537057.db2.gz NOPYEGSYHRXJKI-UHFFFAOYSA-N 1 2 328.362 3.543 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000853490119 1136537061 /nfs/dbraw/zinc/53/70/61/1136537061.db2.gz NOPYEGSYHRXJKI-UHFFFAOYSA-N 1 2 328.362 3.543 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000853491532 1136537814 /nfs/dbraw/zinc/53/78/14/1136537814.db2.gz QNJKPGFQNVVNDT-MJGOQNOKSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000853491532 1136537818 /nfs/dbraw/zinc/53/78/18/1136537818.db2.gz QNJKPGFQNVVNDT-MJGOQNOKSA-N 1 2 327.472 3.605 20 0 EHADLO O=C1[C@@H](C2CCCCC2)CCN1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000853499319 1136538427 /nfs/dbraw/zinc/53/84/27/1136538427.db2.gz JAFVWIWQBZNRIK-OAHLLOKOSA-N 1 2 332.410 3.647 20 0 EHADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)o1 ZINC000815051005 1136539707 /nfs/dbraw/zinc/53/97/07/1136539707.db2.gz LMYQJRUUCRECBK-IAGOWNOFSA-N 1 2 341.407 3.695 20 0 EHADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)o1 ZINC000815051005 1136539711 /nfs/dbraw/zinc/53/97/11/1136539711.db2.gz LMYQJRUUCRECBK-IAGOWNOFSA-N 1 2 341.407 3.695 20 0 EHADLO Cc1nc2nc(=S)n(C[NH+]3CCC(C4CCC4)CC3)n2c(C)c1C ZINC000853536426 1136542451 /nfs/dbraw/zinc/54/24/51/1136542451.db2.gz SRBVZJQFIGXCAL-UHFFFAOYSA-N 1 2 345.516 3.655 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562628 1136544662 /nfs/dbraw/zinc/54/46/62/1136544662.db2.gz BYMYNLODXMSRHY-YOEHRIQHSA-N 1 2 334.435 3.577 20 0 EHADLO CCC[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562628 1136544666 /nfs/dbraw/zinc/54/46/66/1136544666.db2.gz BYMYNLODXMSRHY-YOEHRIQHSA-N 1 2 334.435 3.577 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)n1 ZINC000815062223 1136545625 /nfs/dbraw/zinc/54/56/25/1136545625.db2.gz PZPAFVOUHLYMRI-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccnc(Br)c2)n1 ZINC000815062223 1136545627 /nfs/dbraw/zinc/54/56/27/1136545627.db2.gz PZPAFVOUHLYMRI-HNNXBMFYSA-N 1 2 332.245 3.885 20 0 EHADLO C[N@H+](C[C@@H]1CCc2ccccc21)Cn1nc2n(c1=S)CCCCC2 ZINC000853608903 1136549024 /nfs/dbraw/zinc/54/90/24/1136549024.db2.gz AHQNPMPPJKYOTM-INIZCTEOSA-N 1 2 342.512 3.760 20 0 EHADLO C[N@@H+](C[C@@H]1CCc2ccccc21)Cn1nc2n(c1=S)CCCCC2 ZINC000853608903 1136549026 /nfs/dbraw/zinc/54/90/26/1136549026.db2.gz AHQNPMPPJKYOTM-INIZCTEOSA-N 1 2 342.512 3.760 20 0 EHADLO Cc1cnc(=S)n(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000853611160 1136549827 /nfs/dbraw/zinc/54/98/27/1136549827.db2.gz YGJCJHXNLVPEOV-UHFFFAOYSA-N 1 2 339.464 3.819 20 0 EHADLO C[C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CC1 ZINC000854107215 1136588270 /nfs/dbraw/zinc/58/82/70/1136588270.db2.gz JXWGGMNXCGCZEG-MPGHIAIKSA-N 1 2 341.455 3.620 20 0 EHADLO C[C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)C1CC1 ZINC000854107215 1136588272 /nfs/dbraw/zinc/58/82/72/1136588272.db2.gz JXWGGMNXCGCZEG-MPGHIAIKSA-N 1 2 341.455 3.620 20 0 EHADLO C/C(=C/C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000854343567 1136609010 /nfs/dbraw/zinc/60/90/10/1136609010.db2.gz MZIZMNVEVXGOAA-RTYFKUQISA-N 1 2 339.439 3.622 20 0 EHADLO Fc1ccc([C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)c2nnc[nH]2)cc1 ZINC000815553839 1136609732 /nfs/dbraw/zinc/60/97/32/1136609732.db2.gz LGXOGFDMVYYQCF-XAPRQVHKSA-N 1 2 340.446 3.839 20 0 EHADLO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc2[nH+]ccn21 ZINC000776753439 1136634875 /nfs/dbraw/zinc/63/48/75/1136634875.db2.gz ODMQYCVAEQVNBS-ZDUSSCGKSA-N 1 2 343.839 3.955 20 0 EHADLO O=C(N[C@@H]1CCCc2occc21)c1c[nH+]ccc1Nc1ccccc1 ZINC001135224228 1136639585 /nfs/dbraw/zinc/63/95/85/1136639585.db2.gz ZHKQYISATBMAPB-QGZVFWFLSA-N 1 2 333.391 3.648 20 0 EHADLO Cc1ccc2snc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)c2c1 ZINC000815860190 1136645464 /nfs/dbraw/zinc/64/54/64/1136645464.db2.gz ZZZVMBSRWXAYRZ-UHFFFAOYSA-N 1 2 326.425 3.626 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000265973471 1136664744 /nfs/dbraw/zinc/66/47/44/1136664744.db2.gz UXFNXAPOBNOOSJ-HNNXBMFYSA-N 1 2 342.443 3.553 20 0 EHADLO CCCCC1CCC(c2cc(NC(=O)Cc3[nH]cc[nH+]3)n[nH]2)CC1 ZINC000855093571 1136666579 /nfs/dbraw/zinc/66/65/79/1136666579.db2.gz GKWIIEYPWTYRQW-UHFFFAOYSA-N 1 2 329.448 3.778 20 0 EHADLO O=C(N[C@H]1CCCc2occc21)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001135401945 1136681820 /nfs/dbraw/zinc/68/18/20/1136681820.db2.gz BZWULLGWZYJJSI-UXLLHSPISA-N 1 2 339.439 3.839 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1Cl ZINC001138022677 1136710728 /nfs/dbraw/zinc/71/07/28/1136710728.db2.gz ISOFBRIJZNOVPH-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1Cl ZINC001138022677 1136710730 /nfs/dbraw/zinc/71/07/30/1136710730.db2.gz ISOFBRIJZNOVPH-CYBMUJFWSA-N 1 2 325.733 3.534 20 0 EHADLO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000816560413 1136736888 /nfs/dbraw/zinc/73/68/88/1136736888.db2.gz NYESWKJLMGRFNJ-UHFFFAOYSA-N 1 2 349.377 3.916 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000816830595 1136758452 /nfs/dbraw/zinc/75/84/52/1136758452.db2.gz MQPSDNIXPHQOIQ-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114445474 1136798580 /nfs/dbraw/zinc/79/85/80/1136798580.db2.gz YOOGKEYMJBPWJA-OAQYLSRUSA-N 1 2 335.451 3.690 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114445474 1136798582 /nfs/dbraw/zinc/79/85/82/1136798582.db2.gz YOOGKEYMJBPWJA-OAQYLSRUSA-N 1 2 335.451 3.690 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001137655319 1136800284 /nfs/dbraw/zinc/80/02/84/1136800284.db2.gz HMWMIQZDHLSALO-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001137655319 1136800288 /nfs/dbraw/zinc/80/02/88/1136800288.db2.gz HMWMIQZDHLSALO-IUODEOHRSA-N 1 2 340.826 3.530 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccsc1)C1CCCCC1 ZINC000856723129 1136803122 /nfs/dbraw/zinc/80/31/22/1136803122.db2.gz XIZULJYRBNZRNN-MRXNPFEDSA-N 1 2 327.515 3.633 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccsc1)C1CCCCC1 ZINC000856723129 1136803124 /nfs/dbraw/zinc/80/31/24/1136803124.db2.gz XIZULJYRBNZRNN-MRXNPFEDSA-N 1 2 327.515 3.633 20 0 EHADLO Cc1nonc1C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817409478 1136805720 /nfs/dbraw/zinc/80/57/20/1136805720.db2.gz MAJWJPDWVMOKET-UHFFFAOYSA-N 1 2 337.427 3.646 20 0 EHADLO C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000817460600 1136808953 /nfs/dbraw/zinc/80/89/53/1136808953.db2.gz DONGQBZACGPWSW-HXUWFJFHSA-N 1 2 337.398 3.711 20 0 EHADLO COc1cccc(C[NH2+]Cc2cn(C)nc2Cl)c1OC1CCCC1 ZINC000856771031 1136809246 /nfs/dbraw/zinc/80/92/46/1136809246.db2.gz WHBWTGWRJGNONC-UHFFFAOYSA-N 1 2 349.862 3.693 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(F)c1C ZINC000817433228 1136810057 /nfs/dbraw/zinc/81/00/57/1136810057.db2.gz JTGAXOLBNMIONI-UHFFFAOYSA-N 1 2 342.414 3.527 20 0 EHADLO CCCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000857026635 1136833822 /nfs/dbraw/zinc/83/38/22/1136833822.db2.gz UJRXWZUAZQTCGB-PBHICJAKSA-N 1 2 335.469 3.618 20 0 EHADLO CCCc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000857026635 1136833825 /nfs/dbraw/zinc/83/38/25/1136833825.db2.gz UJRXWZUAZQTCGB-PBHICJAKSA-N 1 2 335.469 3.618 20 0 EHADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC000776912051 1136841259 /nfs/dbraw/zinc/84/12/59/1136841259.db2.gz LNYCHOMSCDIAJT-GFCCVEGCSA-N 1 2 347.340 3.714 20 0 EHADLO OCC[C@@H]([NH2+][C@H](c1ccc(Br)cc1)C(F)F)C1CC1 ZINC000857077153 1136841486 /nfs/dbraw/zinc/84/14/86/1136841486.db2.gz ZUAINLFRFGCTJM-CHWSQXEVSA-N 1 2 334.204 3.506 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001170891659 1136865902 /nfs/dbraw/zinc/86/59/02/1136865902.db2.gz DXZFRWQVTBIMMY-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001170891659 1136865906 /nfs/dbraw/zinc/86/59/06/1136865906.db2.gz DXZFRWQVTBIMMY-INIZCTEOSA-N 1 2 345.270 3.942 20 0 EHADLO Cc1ccc([C@H](O)c2ccccn2)cc1NCc1c[nH+]cn1C(C)C ZINC000818213605 1136866670 /nfs/dbraw/zinc/86/66/70/1136866670.db2.gz JAGNELVNIKGOTQ-FQEVSTJZSA-N 1 2 336.439 3.861 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170895772 1136869272 /nfs/dbraw/zinc/86/92/72/1136869272.db2.gz VJEDWAOEGHBVJW-QFBILLFUSA-N 1 2 343.854 3.571 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCO1 ZINC000776938059 1136876873 /nfs/dbraw/zinc/87/68/73/1136876873.db2.gz ZHRMSDCKVKUBAM-QYZOEREBSA-N 1 2 347.499 3.733 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@]1(O)C(F)(F)F ZINC001137656512 1136881064 /nfs/dbraw/zinc/88/10/64/1136881064.db2.gz IJPVPEAFVJOHCX-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@]1(O)C(F)(F)F ZINC001137656512 1136881067 /nfs/dbraw/zinc/88/10/67/1136881067.db2.gz IJPVPEAFVJOHCX-NOZJJQNGSA-N 1 2 325.733 3.614 20 0 EHADLO COc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136187262 1136907643 /nfs/dbraw/zinc/90/76/43/1136907643.db2.gz RBHHJDAEVQUHLH-OTVXOJSOSA-N 1 2 343.402 3.839 20 0 EHADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982852 1136926866 /nfs/dbraw/zinc/92/68/66/1136926866.db2.gz MUTWOFDCWUXGBI-WOJBJXKFSA-N 1 2 345.446 3.861 20 0 EHADLO C[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1C(F)(F)F ZINC000857987300 1136927189 /nfs/dbraw/zinc/92/71/89/1136927189.db2.gz TWIAQIIAYVZEHF-SMDDNHRTSA-N 1 2 337.345 3.657 20 0 EHADLO Cc1c[nH+]c2c(c1)N(C(=O)C[C@H](c1ccccc1)C(F)(F)F)CCN2 ZINC000857997333 1136928325 /nfs/dbraw/zinc/92/83/25/1136928325.db2.gz KHMQXWXCDHYLEP-CQSZACIVSA-N 1 2 349.356 3.885 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)nc1 ZINC000858012027 1136930190 /nfs/dbraw/zinc/93/01/90/1136930190.db2.gz BMQZOSHULDFRDF-CQSZACIVSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)s3)C2)nc1 ZINC000858012027 1136930191 /nfs/dbraw/zinc/93/01/91/1136930191.db2.gz BMQZOSHULDFRDF-CQSZACIVSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)nc1 ZINC000858012025 1136930218 /nfs/dbraw/zinc/93/02/18/1136930218.db2.gz BMQZOSHULDFRDF-AWEZNQCLSA-N 1 2 331.485 3.797 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)s3)C2)nc1 ZINC000858012025 1136930219 /nfs/dbraw/zinc/93/02/19/1136930219.db2.gz BMQZOSHULDFRDF-AWEZNQCLSA-N 1 2 331.485 3.797 20 0 EHADLO Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c(Br)n1 ZINC000858134086 1136942434 /nfs/dbraw/zinc/94/24/34/1136942434.db2.gz IJKBEMAYZSMKRH-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO Cc1ccc(C2(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)CCC2)cc1 ZINC000819516002 1136950165 /nfs/dbraw/zinc/95/01/65/1136950165.db2.gz HQIBZFNSIVOQLK-KRWDZBQOSA-N 1 2 337.467 3.556 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000819903300 1136965662 /nfs/dbraw/zinc/96/56/62/1136965662.db2.gz KENMBQAMDDJNNA-LJQANCHMSA-N 1 2 333.435 3.827 20 0 EHADLO CC1(C)C[C@H](c2ccccc2)[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000819903300 1136965663 /nfs/dbraw/zinc/96/56/63/1136965663.db2.gz KENMBQAMDDJNNA-LJQANCHMSA-N 1 2 333.435 3.827 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c[nH+]1 ZINC000858524213 1136975857 /nfs/dbraw/zinc/97/58/57/1136975857.db2.gz JCRZDBTWBMWXGQ-YSIASYRMSA-N 1 2 335.451 3.644 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)sc1-c1ccccc1 ZINC001136302726 1136976526 /nfs/dbraw/zinc/97/65/26/1136976526.db2.gz VRMFAQLRVUAZEU-LLVKDONJSA-N 1 2 326.425 3.659 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)sc1-c1ccccc1 ZINC001136302726 1136976528 /nfs/dbraw/zinc/97/65/28/1136976528.db2.gz VRMFAQLRVUAZEU-LLVKDONJSA-N 1 2 326.425 3.659 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858581961 1136980635 /nfs/dbraw/zinc/98/06/35/1136980635.db2.gz QFSNILPZISWWAQ-AWEZNQCLSA-N 1 2 349.438 3.648 20 0 EHADLO CCC[C@H](CC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000820408697 1136992829 /nfs/dbraw/zinc/99/28/29/1136992829.db2.gz CIYHFRGAEPJSBA-SFHVURJKSA-N 1 2 331.504 3.973 20 0 EHADLO CSc1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000858929739 1136997406 /nfs/dbraw/zinc/99/74/06/1136997406.db2.gz NNHJZMPTHDSPNT-DUXPYHPUSA-N 1 2 333.482 3.613 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)OCc1ccc(Cl)cc1 ZINC000820783237 1137006194 /nfs/dbraw/zinc/00/61/94/1137006194.db2.gz PUDBWRJTFXOFMF-UHFFFAOYSA-N 1 2 345.830 3.762 20 0 EHADLO Cn1nc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000859187379 1137006824 /nfs/dbraw/zinc/00/68/24/1137006824.db2.gz JBEQHOMMZJHLIE-UHFFFAOYSA-N 1 2 329.753 3.871 20 0 EHADLO Cc1occ(C(F)(F)F)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820862763 1137007001 /nfs/dbraw/zinc/00/70/01/1137007001.db2.gz WPWXTWGWOZGAFD-GWCFXTLKSA-N 1 2 341.333 3.527 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ncccc1Cl ZINC000859283151 1137010536 /nfs/dbraw/zinc/01/05/36/1137010536.db2.gz JBFSEAYVKJRDEB-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ncccc1Cl ZINC000859283151 1137010537 /nfs/dbraw/zinc/01/05/37/1137010537.db2.gz JBFSEAYVKJRDEB-ZDUSSCGKSA-N 1 2 345.830 3.885 20 0 EHADLO CCOC(C[N@H+](CC)Cc1coc(-c2ccccc2F)n1)OCC ZINC000859326373 1137011825 /nfs/dbraw/zinc/01/18/25/1137011825.db2.gz MOMFAKSSUUKIIP-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO CCOC(C[N@@H+](CC)Cc1coc(-c2ccccc2F)n1)OCC ZINC000859326373 1137011827 /nfs/dbraw/zinc/01/18/27/1137011827.db2.gz MOMFAKSSUUKIIP-UHFFFAOYSA-N 1 2 336.407 3.702 20 0 EHADLO Cn1nc(C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Cl ZINC000859345453 1137012316 /nfs/dbraw/zinc/01/23/16/1137012316.db2.gz DXYMILSOJDBEPD-INIZCTEOSA-N 1 2 333.863 3.643 20 0 EHADLO Cn1nc(C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Cl ZINC000859345453 1137012317 /nfs/dbraw/zinc/01/23/17/1137012317.db2.gz DXYMILSOJDBEPD-INIZCTEOSA-N 1 2 333.863 3.643 20 0 EHADLO CSCCCCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000859402080 1137013836 /nfs/dbraw/zinc/01/38/36/1137013836.db2.gz NAOZVYOXPWMJEY-QGZVFWFLSA-N 1 2 349.544 3.600 20 0 EHADLO Cn1nc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1Cl ZINC000859414658 1137014341 /nfs/dbraw/zinc/01/43/41/1137014341.db2.gz IHURKOUZQJIDGH-GFCCVEGCSA-N 1 2 325.790 3.731 20 0 EHADLO Cn1nc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1Cl ZINC000859414658 1137014343 /nfs/dbraw/zinc/01/43/43/1137014343.db2.gz IHURKOUZQJIDGH-GFCCVEGCSA-N 1 2 325.790 3.731 20 0 EHADLO C[C@@H](COc1ccccc1)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821621272 1137033984 /nfs/dbraw/zinc/03/39/84/1137033984.db2.gz MYAOAHWMUJMOKV-INIZCTEOSA-N 1 2 336.391 3.556 20 0 EHADLO C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136511682 1137042021 /nfs/dbraw/zinc/04/20/21/1137042021.db2.gz JLKMWXXHQAURDM-FUHWJXTLSA-N 1 2 340.471 3.551 20 0 EHADLO O=C(/C=C\c1csc(C(F)(F)F)c1)OCCCn1cc[nH+]c1 ZINC000860262100 1137052257 /nfs/dbraw/zinc/05/22/57/1137052257.db2.gz RYUBYJRJHGBEQM-IHWYPQMZSA-N 1 2 330.331 3.610 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000822479889 1137061706 /nfs/dbraw/zinc/06/17/06/1137061706.db2.gz UHJXBDJVPQTCJZ-RBUKOAKNSA-N 1 2 339.483 3.703 20 0 EHADLO Cc1csc([C@@H](C)NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)n1 ZINC001136589119 1137063216 /nfs/dbraw/zinc/06/32/16/1137063216.db2.gz ZSKDTGWQWWAXPT-KFWWJZLASA-N 1 2 344.484 3.695 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000860615579 1137069282 /nfs/dbraw/zinc/06/92/82/1137069282.db2.gz CAWWYYDGAMGPJZ-FHLIZLRMSA-N 1 2 338.794 3.617 20 0 EHADLO COc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c(C)c1 ZINC001136625442 1137073264 /nfs/dbraw/zinc/07/32/64/1137073264.db2.gz KOYUYESJBQIWPZ-UHFFFAOYSA-N 1 2 335.407 3.679 20 0 EHADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001136637987 1137077700 /nfs/dbraw/zinc/07/77/00/1137077700.db2.gz JTOAILPKKVYMHG-QLFBSQMISA-N 1 2 343.393 3.805 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000861036935 1137088666 /nfs/dbraw/zinc/08/86/66/1137088666.db2.gz LADAUVYUCPUDBS-RYQLBKOJSA-N 1 2 332.407 3.602 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000339024867 1137096832 /nfs/dbraw/zinc/09/68/32/1137096832.db2.gz WNXCLXQNGYYUPM-HXUWFJFHSA-N 1 2 326.440 3.793 20 0 EHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000339024867 1137096834 /nfs/dbraw/zinc/09/68/34/1137096834.db2.gz WNXCLXQNGYYUPM-HXUWFJFHSA-N 1 2 326.440 3.793 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000173423590 1137101175 /nfs/dbraw/zinc/10/11/75/1137101175.db2.gz IZCOHGLODNRXDV-UHFFFAOYSA-N 1 2 344.267 3.913 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccnc(Cl)c1F ZINC000823490018 1137102310 /nfs/dbraw/zinc/10/23/10/1137102310.db2.gz SDJHPQINWMKYBJ-UHFFFAOYSA-N 1 2 343.229 3.912 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccnc(Cl)c1F ZINC000823490018 1137102311 /nfs/dbraw/zinc/10/23/11/1137102311.db2.gz SDJHPQINWMKYBJ-UHFFFAOYSA-N 1 2 343.229 3.912 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729049 1137102540 /nfs/dbraw/zinc/10/25/40/1137102540.db2.gz QCNHRDBBKBAKDD-PJKWBFRZSA-N 1 2 326.484 3.670 20 0 EHADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171022797 1137108143 /nfs/dbraw/zinc/10/81/43/1137108143.db2.gz PSXLLNYKNDZRQJ-BBRMVZONSA-N 1 2 341.854 3.857 20 0 EHADLO Cc1cc(CNC(=O)Cc2csc(C3CCCC3)n2)cc(C)[nH+]1 ZINC000823735249 1137110878 /nfs/dbraw/zinc/11/08/78/1137110878.db2.gz RXWZSBGIUJIRBO-UHFFFAOYSA-N 1 2 329.469 3.671 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000823843025 1137116105 /nfs/dbraw/zinc/11/61/05/1137116105.db2.gz VENSHXIHUGLWFQ-CYBMUJFWSA-N 1 2 325.243 3.690 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC001136828197 1137125902 /nfs/dbraw/zinc/12/59/02/1137125902.db2.gz SIMKXFXVHOEVCN-HKUYNNGSSA-N 1 2 343.446 3.701 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1Br ZINC001136849306 1137131224 /nfs/dbraw/zinc/13/12/24/1137131224.db2.gz GHAZJTKHRSXVHH-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO Fc1cc(F)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1Br ZINC001136849306 1137131226 /nfs/dbraw/zinc/13/12/26/1137131226.db2.gz GHAZJTKHRSXVHH-OAHLLOKOSA-N 1 2 346.215 3.872 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2nc3ccccc3s2)n1 ZINC000862280683 1137137142 /nfs/dbraw/zinc/13/71/42/1137137142.db2.gz PUELCJHZNYVMJL-GFCCVEGCSA-N 1 2 341.436 3.719 20 0 EHADLO Cc1ccn2c(C[N@@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cnc2c1 ZINC001136891534 1137141336 /nfs/dbraw/zinc/14/13/36/1137141336.db2.gz UHBRGUASIPTFOT-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO Cc1ccn2c(C[N@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cnc2c1 ZINC001136891534 1137141338 /nfs/dbraw/zinc/14/13/38/1137141338.db2.gz UHBRGUASIPTFOT-FQEVSTJZSA-N 1 2 339.414 3.529 20 0 EHADLO COCCC1(C)C[NH+](Cc2cc(C)c(F)cc2Br)C1 ZINC000862389470 1137141940 /nfs/dbraw/zinc/14/19/40/1137141940.db2.gz KRQKCTIBGMZJEH-UHFFFAOYSA-N 1 2 330.241 3.755 20 0 EHADLO Cc1c(NC(=O)CCn2cc[nH+]c2)cccc1NC(=O)OC(C)(C)C ZINC000862720900 1137154862 /nfs/dbraw/zinc/15/48/62/1137154862.db2.gz ITFJUWNDMWVCKI-UHFFFAOYSA-N 1 2 344.415 3.567 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Cl)c2occc21 ZINC001136960380 1137157282 /nfs/dbraw/zinc/15/72/82/1137157282.db2.gz SRDUHMKIBIBJMO-UHFFFAOYSA-N 1 2 329.787 3.713 20 0 EHADLO CCc1nc(C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)co1 ZINC000825051106 1137163268 /nfs/dbraw/zinc/16/32/68/1137163268.db2.gz WDBDKVSBHVGBSB-UHFFFAOYSA-N 1 2 336.395 3.674 20 0 EHADLO CC[N@H+](Cc1ncc(C(F)(F)F)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001137010121 1137171140 /nfs/dbraw/zinc/17/11/40/1137171140.db2.gz DKAHIUGMUXRDLA-GFCCVEGCSA-N 1 2 341.377 3.890 20 0 EHADLO CC[N@@H+](Cc1ncc(C(F)(F)F)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001137010121 1137171141 /nfs/dbraw/zinc/17/11/41/1137171141.db2.gz DKAHIUGMUXRDLA-GFCCVEGCSA-N 1 2 341.377 3.890 20 0 EHADLO CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccccn1 ZINC000863331555 1137181354 /nfs/dbraw/zinc/18/13/54/1137181354.db2.gz OJCRRHUTVWUETF-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccccn1 ZINC000863331555 1137181355 /nfs/dbraw/zinc/18/13/55/1137181355.db2.gz OJCRRHUTVWUETF-UHFFFAOYSA-N 1 2 343.500 3.720 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)ccc1C(F)(F)F ZINC001143352295 1137181495 /nfs/dbraw/zinc/18/14/95/1137181495.db2.gz PRWBNBMXITVEGM-CQSZACIVSA-N 1 2 337.345 3.841 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)ccc1C(F)(F)F ZINC001143352295 1137181496 /nfs/dbraw/zinc/18/14/96/1137181496.db2.gz PRWBNBMXITVEGM-CQSZACIVSA-N 1 2 337.345 3.841 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143629082 1137184144 /nfs/dbraw/zinc/18/41/44/1137184144.db2.gz RSFQCKZLARMIQW-GFCCVEGCSA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143629082 1137184146 /nfs/dbraw/zinc/18/41/46/1137184146.db2.gz RSFQCKZLARMIQW-GFCCVEGCSA-N 1 2 331.790 3.783 20 0 EHADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(F)c4ccccc4c3)sc2C1 ZINC000339055109 1137184386 /nfs/dbraw/zinc/18/43/86/1137184386.db2.gz DTMBNRSDGWTNQK-UHFFFAOYSA-N 1 2 341.411 3.676 20 0 EHADLO C[N@H+]1CCc2nc(NC(=O)c3cc(F)c4ccccc4c3)sc2C1 ZINC000339055109 1137184388 /nfs/dbraw/zinc/18/43/88/1137184388.db2.gz DTMBNRSDGWTNQK-UHFFFAOYSA-N 1 2 341.411 3.676 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143626486 1137185822 /nfs/dbraw/zinc/18/58/22/1137185822.db2.gz WYBQJYXYIMXUHB-NSHDSACASA-N 1 2 331.790 3.782 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143626486 1137185824 /nfs/dbraw/zinc/18/58/24/1137185824.db2.gz WYBQJYXYIMXUHB-NSHDSACASA-N 1 2 331.790 3.782 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@]1(C)O ZINC001143698849 1137190701 /nfs/dbraw/zinc/19/07/01/1137190701.db2.gz MGJPVLZSVVNKHS-HZMBPMFUSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC[C@]1(C)O ZINC001143698849 1137190702 /nfs/dbraw/zinc/19/07/02/1137190702.db2.gz MGJPVLZSVVNKHS-HZMBPMFUSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)C(=O)OCc1ccccc1 ZINC001171097264 1137191750 /nfs/dbraw/zinc/19/17/50/1137191750.db2.gz XHOMEPZJSWUJLV-LIRRHRJNSA-N 1 2 343.854 3.919 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001143704702 1137192353 /nfs/dbraw/zinc/19/23/53/1137192353.db2.gz QLBKSZKQYHMXBE-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001143704702 1137192355 /nfs/dbraw/zinc/19/23/55/1137192355.db2.gz QLBKSZKQYHMXBE-CQSZACIVSA-N 1 2 335.753 3.994 20 0 EHADLO COc1cccc([C@@H]([NH3+])c2nc(C(C)(C)C3CCCCC3)no2)c1 ZINC000863673186 1137198710 /nfs/dbraw/zinc/19/87/10/1137198710.db2.gz MIPWOPRGZFOMNW-MRXNPFEDSA-N 1 2 329.444 3.984 20 0 EHADLO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C2 ZINC001143781209 1137199433 /nfs/dbraw/zinc/19/94/33/1137199433.db2.gz LVOSGGCAIILHRY-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO Oc1ccc2c(c1)CC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C2 ZINC001143781209 1137199435 /nfs/dbraw/zinc/19/94/35/1137199435.db2.gz LVOSGGCAIILHRY-UHFFFAOYSA-N 1 2 341.304 3.988 20 0 EHADLO F[C@H]1CC[N@@H+](C2CN(Cc3c(Cl)cc(Cl)cc3Cl)C2)C1 ZINC001143799900 1137200819 /nfs/dbraw/zinc/20/08/19/1137200819.db2.gz CVVCPJWJINEXME-JTQLQIEISA-N 1 2 337.653 3.875 20 0 EHADLO F[C@H]1CC[N@H+](C2CN(Cc3c(Cl)cc(Cl)cc3Cl)C2)C1 ZINC001143799900 1137200820 /nfs/dbraw/zinc/20/08/20/1137200820.db2.gz CVVCPJWJINEXME-JTQLQIEISA-N 1 2 337.653 3.875 20 0 EHADLO COC1(C)CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143813514 1137203039 /nfs/dbraw/zinc/20/30/39/1137203039.db2.gz RMHKBASLFGICKF-UHFFFAOYSA-N 1 2 334.204 3.728 20 0 EHADLO CCOc1c(Cl)ccc(C[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1F ZINC001143833188 1137204289 /nfs/dbraw/zinc/20/42/89/1137204289.db2.gz XCMCOMHXNGUWFW-UHFFFAOYSA-N 1 2 336.794 3.537 20 0 EHADLO CCOc1c(Cl)ccc(C[N@H+]2CCc3c(=O)[nH]ccc3C2)c1F ZINC001143833188 1137204290 /nfs/dbraw/zinc/20/42/90/1137204290.db2.gz XCMCOMHXNGUWFW-UHFFFAOYSA-N 1 2 336.794 3.537 20 0 EHADLO Cn1cnnc1C1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143866796 1137206581 /nfs/dbraw/zinc/20/65/81/1137206581.db2.gz KZVZSYJNRNDYQG-UHFFFAOYSA-N 1 2 343.233 3.641 20 0 EHADLO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049803 1137213057 /nfs/dbraw/zinc/21/30/57/1137213057.db2.gz LMXKPIQBZUZVGO-RYUDHWBXSA-N 1 2 326.282 3.820 20 0 EHADLO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2nc(Br)c[nH]2)C1 ZINC000864049803 1137213058 /nfs/dbraw/zinc/21/30/58/1137213058.db2.gz LMXKPIQBZUZVGO-RYUDHWBXSA-N 1 2 326.282 3.820 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)CC2(CCOCC2)O1 ZINC000794586647 1137215816 /nfs/dbraw/zinc/21/58/16/1137215816.db2.gz UVBMJKFNXFCNTA-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)CC2(CCOCC2)O1 ZINC000794586647 1137215818 /nfs/dbraw/zinc/21/58/18/1137215818.db2.gz UVBMJKFNXFCNTA-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000844417792 1137219138 /nfs/dbraw/zinc/21/91/38/1137219138.db2.gz PJSWECHJUVWSDG-NWDGAFQWSA-N 1 2 346.818 3.679 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143954854 1137220687 /nfs/dbraw/zinc/22/06/87/1137220687.db2.gz OKCOCRJMKIKVEU-YVEFUNNKSA-N 1 2 345.817 3.778 20 0 EHADLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)ccc(F)c1F)C2 ZINC001143954854 1137220688 /nfs/dbraw/zinc/22/06/88/1137220688.db2.gz OKCOCRJMKIKVEU-YVEFUNNKSA-N 1 2 345.817 3.778 20 0 EHADLO C[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000339067250 1137220755 /nfs/dbraw/zinc/22/07/55/1137220755.db2.gz LIARPIKCKNAMEJ-NSHDSACASA-N 1 2 348.237 3.820 20 0 EHADLO CC[C@]1(C)CC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794632371 1137222011 /nfs/dbraw/zinc/22/20/11/1137222011.db2.gz PUDYJPBJKFJTJE-GOSISDBHSA-N 1 2 346.500 3.800 20 0 EHADLO CC[C@]1(C)CC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000794632371 1137222013 /nfs/dbraw/zinc/22/20/13/1137222013.db2.gz PUDYJPBJKFJTJE-GOSISDBHSA-N 1 2 346.500 3.800 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439193 1137223205 /nfs/dbraw/zinc/22/32/05/1137223205.db2.gz OMHJSMASCQUTOO-ZUZCIYMTSA-N 1 2 346.780 3.927 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439193 1137223206 /nfs/dbraw/zinc/22/32/06/1137223206.db2.gz OMHJSMASCQUTOO-ZUZCIYMTSA-N 1 2 346.780 3.927 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844441208 1137223398 /nfs/dbraw/zinc/22/33/98/1137223398.db2.gz YZNGKBBYBCEOQJ-WBMJQRKESA-N 1 2 326.362 3.582 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844441208 1137223400 /nfs/dbraw/zinc/22/34/00/1137223400.db2.gz YZNGKBBYBCEOQJ-WBMJQRKESA-N 1 2 326.362 3.582 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)nc2ccc(Cl)cc12 ZINC000844440763 1137224006 /nfs/dbraw/zinc/22/40/06/1137224006.db2.gz TZWMCPZGEVBIAF-HNNXBMFYSA-N 1 2 339.773 3.610 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)nc2ccc(Cl)cc12 ZINC000844440763 1137224007 /nfs/dbraw/zinc/22/40/07/1137224007.db2.gz TZWMCPZGEVBIAF-HNNXBMFYSA-N 1 2 339.773 3.610 20 0 EHADLO C[C@H](CC(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000844489048 1137228208 /nfs/dbraw/zinc/22/82/08/1137228208.db2.gz HJIBCSFZDMAVRU-BXUZGUMPSA-N 1 2 344.308 3.690 20 0 EHADLO C[C@@H](CC(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000844489049 1137228237 /nfs/dbraw/zinc/22/82/37/1137228237.db2.gz HJIBCSFZDMAVRU-FZMZJTMJSA-N 1 2 344.308 3.690 20 0 EHADLO CN(CCc1ccccc1F)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001144084714 1137237822 /nfs/dbraw/zinc/23/78/22/1137237822.db2.gz KPDSOTZUIGEBGH-UHFFFAOYSA-N 1 2 349.409 3.701 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144125621 1137242010 /nfs/dbraw/zinc/24/20/10/1137242010.db2.gz NXTVWBXZEKEJLP-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144125621 1137242011 /nfs/dbraw/zinc/24/20/11/1137242011.db2.gz NXTVWBXZEKEJLP-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CC(C)C(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144134347 1137242712 /nfs/dbraw/zinc/24/27/12/1137242712.db2.gz LRMRFPVWRWUDEI-UHFFFAOYSA-N 1 2 344.833 3.697 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144129558 1137244114 /nfs/dbraw/zinc/24/41/14/1137244114.db2.gz LOPIQEJBJVOMGP-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cc(Cl)c(F)cc1F)C2 ZINC001144129558 1137244116 /nfs/dbraw/zinc/24/41/16/1137244116.db2.gz LOPIQEJBJVOMGP-KRWDZBQOSA-N 1 2 342.817 3.595 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000844757293 1137250167 /nfs/dbraw/zinc/25/01/67/1137250167.db2.gz OGMSQOYAKJQTNF-MLGOLLRUSA-N 1 2 342.455 3.503 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000844757293 1137250169 /nfs/dbraw/zinc/25/01/69/1137250169.db2.gz OGMSQOYAKJQTNF-MLGOLLRUSA-N 1 2 342.455 3.503 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000844757294 1137250332 /nfs/dbraw/zinc/25/03/32/1137250332.db2.gz OGMSQOYAKJQTNF-WBMJQRKESA-N 1 2 342.455 3.503 20 0 EHADLO CCC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000844757294 1137250333 /nfs/dbraw/zinc/25/03/33/1137250333.db2.gz OGMSQOYAKJQTNF-WBMJQRKESA-N 1 2 342.455 3.503 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1([C@@H]2CCCCO2)CCC1 ZINC000864904827 1137251545 /nfs/dbraw/zinc/25/15/45/1137251545.db2.gz PLBWYGOVRISAFM-KRWDZBQOSA-N 1 2 325.412 3.550 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3(c4ccccn4)CC3)c2)[nH+]c1C ZINC000864989402 1137256800 /nfs/dbraw/zinc/25/68/00/1137256800.db2.gz XBFGLUZVNNAHKK-UHFFFAOYSA-N 1 2 332.407 3.759 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865064962 1137261124 /nfs/dbraw/zinc/26/11/24/1137261124.db2.gz BBRRVPQFHOKEBF-UHFFFAOYSA-N 1 2 345.346 3.634 20 0 EHADLO COC[C@H](C)[N@H+](Cc1nc(C)c(C)s1)Cc1cccc(OC)c1 ZINC001144378363 1137279271 /nfs/dbraw/zinc/27/92/71/1137279271.db2.gz HMSWFCVITPEIHL-ZDUSSCGKSA-N 1 2 334.485 3.806 20 0 EHADLO COC[C@H](C)[N@@H+](Cc1nc(C)c(C)s1)Cc1cccc(OC)c1 ZINC001144378363 1137279273 /nfs/dbraw/zinc/27/92/73/1137279273.db2.gz HMSWFCVITPEIHL-ZDUSSCGKSA-N 1 2 334.485 3.806 20 0 EHADLO C[C@@H](CC(=O)OCCOc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845280658 1137283144 /nfs/dbraw/zinc/28/31/44/1137283144.db2.gz WDCWLNYOACZKAO-NSHDSACASA-N 1 2 343.210 3.763 20 0 EHADLO CC(=O)c1c(C)cc(C)c(COC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000845277763 1137283170 /nfs/dbraw/zinc/28/31/70/1137283170.db2.gz BLDVZEDDMVAZRA-CQSZACIVSA-N 1 2 328.412 3.705 20 0 EHADLO Cc1oc(-c2ccsc2)nc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280461 1137283314 /nfs/dbraw/zinc/28/33/14/1137283314.db2.gz FWAJOWNIMWIJMR-LLVKDONJSA-N 1 2 331.397 3.603 20 0 EHADLO C[C@H](CC(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1)n1cc[nH+]c1 ZINC000845283664 1137283473 /nfs/dbraw/zinc/28/34/73/1137283473.db2.gz YOQDICULSPNQHB-KGLIPLIRSA-N 1 2 325.368 3.794 20 0 EHADLO CCCCOc1ccc(C[NH2+]Cc2cn(CCC)nn2)cc1Cl ZINC000865539976 1137293174 /nfs/dbraw/zinc/29/31/74/1137293174.db2.gz XWBWBCOXPZNMRZ-UHFFFAOYSA-N 1 2 336.867 3.810 20 0 EHADLO C[C@H](CC(=O)OCCc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000845467238 1137293945 /nfs/dbraw/zinc/29/39/45/1137293945.db2.gz XHRYBWULNMHGNT-GFCCVEGCSA-N 1 2 326.318 3.639 20 0 EHADLO CCCn1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)nn1 ZINC000865557057 1137294862 /nfs/dbraw/zinc/29/48/62/1137294862.db2.gz FQEFLAGJWIORAJ-UHFFFAOYSA-N 1 2 347.875 3.755 20 0 EHADLO Cc1cnccc1[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845581680 1137299554 /nfs/dbraw/zinc/29/95/54/1137299554.db2.gz HINMTKYBAUBECW-OXJNMPFZSA-N 1 2 335.407 3.870 20 0 EHADLO Brc1ccc2c(Nc3cnn4cccnc34)cc[nH+]c2c1 ZINC001205957926 1137305217 /nfs/dbraw/zinc/30/52/17/1137305217.db2.gz ABAHGTMXQSVLSB-UHFFFAOYSA-N 1 2 340.184 3.784 20 0 EHADLO Cc1nc(N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000845710482 1137305732 /nfs/dbraw/zinc/30/57/32/1137305732.db2.gz IXHHDUDMHSAAMX-HNNXBMFYSA-N 1 2 340.427 3.563 20 0 EHADLO FC(F)(F)c1ncccc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001144538084 1137306830 /nfs/dbraw/zinc/30/68/30/1137306830.db2.gz GCGCPQRQXSXRNQ-QGZVFWFLSA-N 1 2 347.384 3.515 20 0 EHADLO FC(F)(F)c1ncccc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001144538084 1137306832 /nfs/dbraw/zinc/30/68/32/1137306832.db2.gz GCGCPQRQXSXRNQ-QGZVFWFLSA-N 1 2 347.384 3.515 20 0 EHADLO CC[C@@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)CC(F)F ZINC000845754716 1137308797 /nfs/dbraw/zinc/30/87/97/1137308797.db2.gz FUIGJKUDNUBOLQ-CQSZACIVSA-N 1 2 336.382 3.699 20 0 EHADLO CC[C@H]([NH2+]Cc1nccn1C(F)F)c1cccc(OC)c1OC ZINC000865758515 1137309034 /nfs/dbraw/zinc/30/90/34/1137309034.db2.gz JNWMGXQJLFTUPG-LBPRGKRZSA-N 1 2 325.359 3.536 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144558954 1137309694 /nfs/dbraw/zinc/30/96/94/1137309694.db2.gz GTSSWJOYJGHEJN-UHFFFAOYSA-N 1 2 349.377 3.722 20 0 EHADLO Cc1ccc(OC(F)F)c(C[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000865808341 1137313430 /nfs/dbraw/zinc/31/34/30/1137313430.db2.gz IFSHHHWMEMXDQZ-UHFFFAOYSA-N 1 2 331.313 3.557 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000865808410 1137313554 /nfs/dbraw/zinc/31/35/54/1137313554.db2.gz KLGMPNPBHAIAPN-UHFFFAOYSA-N 1 2 337.267 3.805 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2Cc3ccccc3[C@H](C)C2)n1 ZINC001144592489 1137313942 /nfs/dbraw/zinc/31/39/42/1137313942.db2.gz XYVYJIKROGECDQ-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)n1 ZINC001144592489 1137313943 /nfs/dbraw/zinc/31/39/43/1137313943.db2.gz XYVYJIKROGECDQ-GFCCVEGCSA-N 1 2 347.256 3.972 20 0 EHADLO COc1ccc(Br)c(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC001144606735 1137316908 /nfs/dbraw/zinc/31/69/08/1137316908.db2.gz JQZYMBGWMJZDAL-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc(Br)c(C[N@H+]2CCCc3ccccc3C2)n1 ZINC001144606735 1137316909 /nfs/dbraw/zinc/31/69/09/1137316909.db2.gz JQZYMBGWMJZDAL-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO Cc1[nH+]c(NCc2cccc3cccnc32)ccc1-c1cnn(C)c1 ZINC001202520203 1137324703 /nfs/dbraw/zinc/32/47/03/1137324703.db2.gz NMBOXUPIODQULM-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO Clc1cccc2c(NC[C@@H]3CC4(CO3)CCOCC4)cc[nH+]c12 ZINC000866174662 1137333454 /nfs/dbraw/zinc/33/34/54/1137333454.db2.gz DMTCGURVRBWUNH-ZDUSSCGKSA-N 1 2 332.831 3.886 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000846117331 1137334106 /nfs/dbraw/zinc/33/41/06/1137334106.db2.gz MRVPECOFDZNMMA-GDBMZVCRSA-N 1 2 349.475 3.676 20 0 EHADLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc2c(c1)OCCCO2 ZINC000866231819 1137337065 /nfs/dbraw/zinc/33/70/65/1137337065.db2.gz AEHBQGDVQVJJQU-ZSOFBXJNSA-N 1 2 343.398 3.970 20 0 EHADLO FC(F)COc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866293534 1137343278 /nfs/dbraw/zinc/34/32/78/1137343278.db2.gz RPAKGHJVJNENPC-CRAIPNDOSA-N 1 2 337.341 3.892 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000846211389 1137343730 /nfs/dbraw/zinc/34/37/30/1137343730.db2.gz DYIFBRCNBAIPDW-HOTGVXAUSA-N 1 2 349.475 3.723 20 0 EHADLO CC(C)[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccn1 ZINC000866334640 1137346663 /nfs/dbraw/zinc/34/66/63/1137346663.db2.gz WECCJBHQTYICKW-YRNRMSPPSA-N 1 2 340.471 3.899 20 0 EHADLO COCCCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866359495 1137349165 /nfs/dbraw/zinc/34/91/65/1137349165.db2.gz SYGHNTXAAWEYLC-QUCCMNQESA-N 1 2 345.414 3.663 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866420783 1137353298 /nfs/dbraw/zinc/35/32/98/1137353298.db2.gz RXENSFZVLARUAK-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866420783 1137353300 /nfs/dbraw/zinc/35/33/00/1137353300.db2.gz RXENSFZVLARUAK-UHFFFAOYSA-N 1 2 333.435 3.902 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc2[nH]c(=O)oc2c1 ZINC000866484971 1137358636 /nfs/dbraw/zinc/35/86/36/1137358636.db2.gz BWMCJZGRTMLTFA-SVKFGRERSA-N 1 2 328.343 3.656 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CC=C(Cl)Cl)[C@@H]2C1 ZINC001171250321 1137363447 /nfs/dbraw/zinc/36/34/47/1137363447.db2.gz WOJDIHHGUQFGLI-NWDGAFQWSA-N 1 2 335.275 3.637 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CC=C(Cl)Cl)[C@@H]2C1 ZINC001171250321 1137363449 /nfs/dbraw/zinc/36/34/49/1137363449.db2.gz WOJDIHHGUQFGLI-NWDGAFQWSA-N 1 2 335.275 3.637 20 0 EHADLO C[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000866581375 1137366521 /nfs/dbraw/zinc/36/65/21/1137366521.db2.gz GTBWWYWLTVGXEW-QAPCUYQASA-N 1 2 343.446 3.800 20 0 EHADLO C/C(=C/c1ccco1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000846860930 1137369977 /nfs/dbraw/zinc/36/99/77/1137369977.db2.gz ISYFCFIQLNMZMA-KGAUPUERSA-N 1 2 340.423 3.715 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2ncc(Br)s2)cnn1C(C)C ZINC000866621064 1137370358 /nfs/dbraw/zinc/37/03/58/1137370358.db2.gz YBXWAZKKOXULBV-SECBINFHSA-N 1 2 343.294 3.842 20 0 EHADLO FC(F)(F)Oc1cccc([C@H]([NH2+]Cc2cnsn2)C2CC2)c1 ZINC000846898284 1137374632 /nfs/dbraw/zinc/37/46/32/1137374632.db2.gz DABVYQBHGOAUMD-CYBMUJFWSA-N 1 2 329.347 3.678 20 0 EHADLO CC(=O)C1CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000846954128 1137378824 /nfs/dbraw/zinc/37/88/24/1137378824.db2.gz ROEHSVBGDWRUJH-UHFFFAOYSA-N 1 2 329.469 3.996 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267375 1137386570 /nfs/dbraw/zinc/38/65/70/1137386570.db2.gz PIKBMSYFDGFKTA-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001171267375 1137386571 /nfs/dbraw/zinc/38/65/71/1137386571.db2.gz PIKBMSYFDGFKTA-ZIAGYGMSSA-N 1 2 336.476 3.772 20 0 EHADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1C[C@H](OCC)C1(C)C ZINC001147226181 1137403048 /nfs/dbraw/zinc/40/30/48/1137403048.db2.gz HWGNWWKIKFYTTF-IRXDYDNUSA-N 1 2 329.444 3.619 20 0 EHADLO Cc1cc(Cl)nc(Cl)c1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001147906689 1137415242 /nfs/dbraw/zinc/41/52/42/1137415242.db2.gz BZOVZSNAXURLGB-UHFFFAOYSA-N 1 2 339.226 3.548 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC001148114870 1137417909 /nfs/dbraw/zinc/41/79/09/1137417909.db2.gz YWJCKLBCYBFSOV-IBGZPJMESA-N 1 2 335.382 3.528 20 0 EHADLO Cc1cc(CNC(=O)NC2CCC(OC(C)(C)C)CC2)cc(C)[nH+]1 ZINC000868715467 1137420787 /nfs/dbraw/zinc/42/07/87/1137420787.db2.gz OUAKJHKESNEYSF-UHFFFAOYSA-N 1 2 333.476 3.624 20 0 EHADLO Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cnc1Cl ZINC001148842958 1137436037 /nfs/dbraw/zinc/43/60/37/1137436037.db2.gz MLXBMNGAULIPEX-HNNXBMFYSA-N 1 2 340.814 3.927 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000869108519 1137437002 /nfs/dbraw/zinc/43/70/02/1137437002.db2.gz QKHSSCLIFICYNS-AEFFLSMTSA-N 1 2 339.439 3.559 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000869108519 1137437004 /nfs/dbraw/zinc/43/70/04/1137437004.db2.gz QKHSSCLIFICYNS-AEFFLSMTSA-N 1 2 339.439 3.559 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000348175403 1137450565 /nfs/dbraw/zinc/45/05/65/1137450565.db2.gz SVFNTGGFUCUKGY-GHMZBOCLSA-N 1 2 335.398 3.564 20 0 EHADLO COCC[C@@H]1CCC[C@H]1[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282786373 1137451208 /nfs/dbraw/zinc/45/12/08/1137451208.db2.gz PWIXDWSXEMEQLY-PFRQMTDMSA-N 1 2 332.488 3.917 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000339091360 1137452119 /nfs/dbraw/zinc/45/21/19/1137452119.db2.gz KHPIJOJTUUQIIF-UHFFFAOYSA-N 1 2 346.843 3.768 20 0 EHADLO Cc1nc(-c2ccc(C(=O)OCCCn3cc[nH+]c3)s2)cs1 ZINC000869799584 1137466543 /nfs/dbraw/zinc/46/65/43/1137466543.db2.gz UQKMZZUSSVBWBI-UHFFFAOYSA-N 1 2 333.438 3.624 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2ncc(Br)s2)ccc1F ZINC000714924415 1137474487 /nfs/dbraw/zinc/47/44/87/1137474487.db2.gz IPDGWACIOCUPCB-QMMMGPOBSA-N 1 2 345.237 3.904 20 0 EHADLO CCCOc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000714951783 1137475192 /nfs/dbraw/zinc/47/51/92/1137475192.db2.gz NUIRBTPVTZOHFJ-UHFFFAOYSA-N 1 2 341.274 3.984 20 0 EHADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000773317452 1137489084 /nfs/dbraw/zinc/48/90/84/1137489084.db2.gz PMHYLUKSELPFSH-UHFFFAOYSA-N 1 2 344.361 3.710 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171553923 1137497626 /nfs/dbraw/zinc/49/76/26/1137497626.db2.gz WUVJXUCNFNFUBF-TZIWHRDSSA-N 1 2 337.463 3.616 20 0 EHADLO COC(CCCC(C)(C)CNc1nc(C)[nH+]c2c1CCCC2)OC ZINC000795140117 1137504281 /nfs/dbraw/zinc/50/42/81/1137504281.db2.gz NXVDTOMRNKVEQA-UHFFFAOYSA-N 1 2 335.492 3.891 20 0 EHADLO CCOC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001171893626 1137517171 /nfs/dbraw/zinc/51/71/71/1137517171.db2.gz RCKYDZBOFHIJJN-CYBMUJFWSA-N 1 2 338.517 3.647 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001171967446 1137519655 /nfs/dbraw/zinc/51/96/55/1137519655.db2.gz ABCCZWQJLHAEGV-SMDDNHRTSA-N 1 2 337.332 3.728 20 0 EHADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001171967446 1137519656 /nfs/dbraw/zinc/51/96/56/1137519656.db2.gz ABCCZWQJLHAEGV-SMDDNHRTSA-N 1 2 337.332 3.728 20 0 EHADLO FC1(F)CN([C@H]2CSc3ccccc3C2)CC[C@H]1[NH+]1CCCC1 ZINC001172208968 1137541490 /nfs/dbraw/zinc/54/14/90/1137541490.db2.gz VIHSTGKWHZEGLL-NVXWUHKLSA-N 1 2 338.467 3.509 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1nnc(C)o1 ZINC001172365585 1137554701 /nfs/dbraw/zinc/55/47/01/1137554701.db2.gz BWNPNYAQDUYPFJ-OJIVJNGMSA-N 1 2 329.444 3.890 20 0 EHADLO CC(C)(C)c1cn(C[C@H](O)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000871990160 1137564208 /nfs/dbraw/zinc/56/42/08/1137564208.db2.gz XRFWDAKFIDCSDB-ZDUSSCGKSA-N 1 2 341.224 3.816 20 0 EHADLO C[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093442 1137570913 /nfs/dbraw/zinc/57/09/13/1137570913.db2.gz VVXUKOPGWXXTML-QMTHXVAHSA-N 1 2 343.320 3.934 20 0 EHADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000872133846 1137573405 /nfs/dbraw/zinc/57/34/05/1137573405.db2.gz PFYLHKRGFVQLDK-NEPJUHHUSA-N 1 2 329.835 3.737 20 0 EHADLO CCC[C@H](OC)c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182367 1137575498 /nfs/dbraw/zinc/57/54/98/1137575498.db2.gz KISGOISQQRNSFQ-RYUDHWBXSA-N 1 2 329.322 3.624 20 0 EHADLO CCCCn1nc(C)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1Cl ZINC000872254991 1137576363 /nfs/dbraw/zinc/57/63/63/1137576363.db2.gz NPUAJWAIHVEUJK-CYBMUJFWSA-N 1 2 335.826 3.501 20 0 EHADLO CCCCn1nc(C)c(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1Cl ZINC000872254991 1137576364 /nfs/dbraw/zinc/57/63/64/1137576364.db2.gz NPUAJWAIHVEUJK-CYBMUJFWSA-N 1 2 335.826 3.501 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@H+](C)CN1CCC3(CCCC3)C1=O)CCC2 ZINC000872577606 1137581648 /nfs/dbraw/zinc/58/16/48/1137581648.db2.gz JTZQQMLDMJVTGX-HNNXBMFYSA-N 1 2 333.501 3.511 20 0 EHADLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CN1CCC3(CCCC3)C1=O)CCC2 ZINC000872577606 1137581649 /nfs/dbraw/zinc/58/16/49/1137581649.db2.gz JTZQQMLDMJVTGX-HNNXBMFYSA-N 1 2 333.501 3.511 20 0 EHADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872751851 1137583837 /nfs/dbraw/zinc/58/38/37/1137583837.db2.gz HRXZEEAFLGPMBC-IINYFYTJSA-N 1 2 328.309 3.920 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000873056534 1137589141 /nfs/dbraw/zinc/58/91/41/1137589141.db2.gz FYGUPWIPNXVBLM-UHFFFAOYSA-N 1 2 340.240 3.964 20 0 EHADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873129871 1137590945 /nfs/dbraw/zinc/59/09/45/1137590945.db2.gz SEEZFHSMOGRNNQ-LLVKDONJSA-N 1 2 340.240 3.964 20 0 EHADLO CC(C)(C)[C@H]1C[C@@H](OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000873569792 1137602767 /nfs/dbraw/zinc/60/27/67/1137602767.db2.gz ABUYTLOCWYYQFB-ZWKOTPCHSA-N 1 2 342.439 3.682 20 0 EHADLO CCn1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1C ZINC000874147565 1137611013 /nfs/dbraw/zinc/61/10/13/1137611013.db2.gz WISILWQAUKIOBP-UHFFFAOYSA-N 1 2 346.500 3.757 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000874605820 1137618875 /nfs/dbraw/zinc/61/88/75/1137618875.db2.gz RALFFCMVWVVUSW-MRXNPFEDSA-N 1 2 331.847 3.790 20 0 EHADLO CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000874605820 1137618876 /nfs/dbraw/zinc/61/88/76/1137618876.db2.gz RALFFCMVWVVUSW-MRXNPFEDSA-N 1 2 331.847 3.790 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC1CC1 ZINC000125150446 1137622245 /nfs/dbraw/zinc/62/22/45/1137622245.db2.gz OCBHVDKOBAXPNL-UHFFFAOYSA-N 1 2 347.418 3.591 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)Cc2cccc(Cl)c2)c1C ZINC000125157166 1137622509 /nfs/dbraw/zinc/62/25/09/1137622509.db2.gz IAKFFHAQFLWKGG-GFCCVEGCSA-N 1 2 346.858 3.855 20 0 EHADLO O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000875905110 1137640492 /nfs/dbraw/zinc/64/04/92/1137640492.db2.gz VGRVZIIDEUFMHY-RDJZCZTQSA-N 1 2 344.846 3.571 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccccc1OC(F)F ZINC000876212032 1137646048 /nfs/dbraw/zinc/64/60/48/1137646048.db2.gz HCDVNTJEZOONLY-HNNXBMFYSA-N 1 2 347.365 3.596 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccccc1OC(F)F ZINC000876212032 1137646049 /nfs/dbraw/zinc/64/60/49/1137646049.db2.gz HCDVNTJEZOONLY-HNNXBMFYSA-N 1 2 347.365 3.596 20 0 EHADLO CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000876336409 1137649139 /nfs/dbraw/zinc/64/91/39/1137649139.db2.gz NMSYACKYINLPQV-ZDUSSCGKSA-N 1 2 346.500 3.858 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(OC)cnc2F)c1 ZINC000876548862 1137655219 /nfs/dbraw/zinc/65/52/19/1137655219.db2.gz WCKPDEBMEPHZPA-QGZVFWFLSA-N 1 2 346.402 3.584 20 0 EHADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(OC)cnc2F)c1 ZINC000876548862 1137655220 /nfs/dbraw/zinc/65/52/20/1137655220.db2.gz WCKPDEBMEPHZPA-QGZVFWFLSA-N 1 2 346.402 3.584 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc3c(ccnc3Cl)o2)[C@@H](CC)CN1C(C)=O ZINC000876770661 1137660859 /nfs/dbraw/zinc/66/08/59/1137660859.db2.gz PASAVOLCWCGNBP-KBPBESRZSA-N 1 2 349.862 3.703 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc3c(ccnc3Cl)o2)[C@@H](CC)CN1C(C)=O ZINC000876770661 1137660860 /nfs/dbraw/zinc/66/08/60/1137660860.db2.gz PASAVOLCWCGNBP-KBPBESRZSA-N 1 2 349.862 3.703 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804822 1137661991 /nfs/dbraw/zinc/66/19/91/1137661991.db2.gz UOEPPJMFUIWAJK-WDEREUQCSA-N 1 2 328.890 3.946 20 0 EHADLO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nc(Cl)cs1)c1cccs1 ZINC000876804822 1137661992 /nfs/dbraw/zinc/66/19/92/1137661992.db2.gz UOEPPJMFUIWAJK-WDEREUQCSA-N 1 2 328.890 3.946 20 0 EHADLO CCN(Cc1ccccc1NCc1[nH+]cc(C)c(OC)c1C)C(C)=O ZINC000876817802 1137662372 /nfs/dbraw/zinc/66/23/72/1137662372.db2.gz GSOROQOWQMWZLV-UHFFFAOYSA-N 1 2 341.455 3.688 20 0 EHADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ncc(Cl)s2)CC1 ZINC001137114728 1137665441 /nfs/dbraw/zinc/66/54/41/1137665441.db2.gz WEYROIRZNMGBDL-LBPRGKRZSA-N 1 2 339.867 3.814 20 0 EHADLO Clc1ccc(-n2cc(C[NH2+]Cc3cc(C4CC4)no3)cn2)cc1 ZINC000877049184 1137668624 /nfs/dbraw/zinc/66/86/24/1137668624.db2.gz RJTKZOUXRMJHPF-UHFFFAOYSA-N 1 2 328.803 3.681 20 0 EHADLO COc1cnc(F)c(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000877068327 1137669349 /nfs/dbraw/zinc/66/93/49/1137669349.db2.gz VJTLAWJQGSXUGI-UHFFFAOYSA-N 1 2 346.736 3.774 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)c(O[C@@H]2CCOC2)c1 ZINC000877086958 1137670012 /nfs/dbraw/zinc/67/00/12/1137670012.db2.gz CSBAQBAPZAVZSP-CYBMUJFWSA-N 1 2 338.860 3.562 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1Br ZINC000877539184 1137680367 /nfs/dbraw/zinc/68/03/67/1137680367.db2.gz KWOBJGOWBXGQFN-UKRRQHHQSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1ccnc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1Br ZINC000877539184 1137680368 /nfs/dbraw/zinc/68/03/68/1137680368.db2.gz KWOBJGOWBXGQFN-UKRRQHHQSA-N 1 2 339.277 3.542 20 0 EHADLO COc1c(C)c[nH+]c(CNc2ccc(N(C(C)=O)C3CC3)cc2)c1C ZINC000877552630 1137680970 /nfs/dbraw/zinc/68/09/70/1137680970.db2.gz FRQKIJOBAZFYPC-UHFFFAOYSA-N 1 2 339.439 3.834 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000877552232 1137681024 /nfs/dbraw/zinc/68/10/24/1137681024.db2.gz ANBJUSJZOKCKHV-OAHLLOKOSA-N 1 2 327.255 3.779 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000877552232 1137681025 /nfs/dbraw/zinc/68/10/25/1137681025.db2.gz ANBJUSJZOKCKHV-OAHLLOKOSA-N 1 2 327.255 3.779 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc3c(ccnc3Cl)o2)nn1 ZINC000877598802 1137682543 /nfs/dbraw/zinc/68/25/43/1137682543.db2.gz SYZXRCGEEXRDQS-UHFFFAOYSA-N 1 2 333.823 3.679 20 0 EHADLO COc1ccc([C@@H]2CC[N@H+](Cc3nc(Cl)cs3)C2)cc1F ZINC000877661002 1137684761 /nfs/dbraw/zinc/68/47/61/1137684761.db2.gz VFPHUIHITMZSDW-LLVKDONJSA-N 1 2 326.824 3.934 20 0 EHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(Cl)cs3)C2)cc1F ZINC000877661002 1137684762 /nfs/dbraw/zinc/68/47/62/1137684762.db2.gz VFPHUIHITMZSDW-LLVKDONJSA-N 1 2 326.824 3.934 20 0 EHADLO COc1ccc([C@@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)cc1 ZINC000877757309 1137688361 /nfs/dbraw/zinc/68/83/61/1137688361.db2.gz INTCPLTZBWLVNB-INIZCTEOSA-N 1 2 330.453 3.603 20 0 EHADLO COc1ccc([C@@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)cc1 ZINC000877757309 1137688362 /nfs/dbraw/zinc/68/83/62/1137688362.db2.gz INTCPLTZBWLVNB-INIZCTEOSA-N 1 2 330.453 3.603 20 0 EHADLO Cc1ccsc1C[NH+]1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000877778975 1137689429 /nfs/dbraw/zinc/68/94/29/1137689429.db2.gz FXFXSNDEMVGSEX-UHFFFAOYSA-N 1 2 349.521 3.803 20 0 EHADLO CCn1c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)nc2ccccc21 ZINC000877822779 1137691939 /nfs/dbraw/zinc/69/19/39/1137691939.db2.gz ILOREBFATFXZDK-WFASDCNBSA-N 1 2 341.377 3.598 20 0 EHADLO CCn1c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)nc2ccccc21 ZINC000877822779 1137691940 /nfs/dbraw/zinc/69/19/40/1137691940.db2.gz ILOREBFATFXZDK-WFASDCNBSA-N 1 2 341.377 3.598 20 0 EHADLO Cn1ccc(-c2nc(C[N@H+](Cc3ccc(F)cc3)C3CC3)cs2)n1 ZINC000877894616 1137694498 /nfs/dbraw/zinc/69/44/98/1137694498.db2.gz UJFNOVALZHFBGV-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO Cn1ccc(-c2nc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)cs2)n1 ZINC000877894616 1137694499 /nfs/dbraw/zinc/69/44/99/1137694499.db2.gz UJFNOVALZHFBGV-UHFFFAOYSA-N 1 2 342.443 3.847 20 0 EHADLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCC(C)(C)O1 ZINC000877943808 1137696558 /nfs/dbraw/zinc/69/65/58/1137696558.db2.gz BVKSPCPMKYUVIH-CQSZACIVSA-N 1 2 329.444 3.505 20 0 EHADLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCC(C)(C)O1 ZINC000877943808 1137696559 /nfs/dbraw/zinc/69/65/59/1137696559.db2.gz BVKSPCPMKYUVIH-CQSZACIVSA-N 1 2 329.444 3.505 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ncsc1C1CC1 ZINC000878044448 1137700556 /nfs/dbraw/zinc/70/05/56/1137700556.db2.gz OLYNDYMVLSOFED-UHFFFAOYSA-N 1 2 348.497 3.715 20 0 EHADLO Cc1nc(C2([NH2+]C[C@H]3CC[C@H](c4ccccc4)O3)CCCC2)no1 ZINC000878146978 1137704458 /nfs/dbraw/zinc/70/44/58/1137704458.db2.gz WDBCGHCLBBIVGR-IAGOWNOFSA-N 1 2 327.428 3.657 20 0 EHADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncccc2Br)n1 ZINC000878199259 1137706928 /nfs/dbraw/zinc/70/69/28/1137706928.db2.gz VYPNRUTZXRRLLC-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ncccc2Br)n1 ZINC000878199259 1137706929 /nfs/dbraw/zinc/70/69/29/1137706929.db2.gz VYPNRUTZXRRLLC-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2nocc2C)CC1 ZINC000878204069 1137706984 /nfs/dbraw/zinc/70/69/84/1137706984.db2.gz ZIBUNMUWIJOIAM-UHFFFAOYSA-N 1 2 347.484 3.561 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1nnc2ccccn21 ZINC000878376021 1137713485 /nfs/dbraw/zinc/71/34/85/1137713485.db2.gz UDKRVSVVBVQXAJ-CQSZACIVSA-N 1 2 338.333 3.828 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cccc1Cl)c1ccco1 ZINC000878409424 1137714745 /nfs/dbraw/zinc/71/47/45/1137714745.db2.gz KNJAJULKXJULAF-GXTWGEPZSA-N 1 2 336.819 3.546 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427291 1137715566 /nfs/dbraw/zinc/71/55/66/1137715566.db2.gz AAUJUAZCJKBTOF-CXAGYDPISA-N 1 2 339.468 3.522 20 0 EHADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000878427291 1137715567 /nfs/dbraw/zinc/71/55/67/1137715567.db2.gz AAUJUAZCJKBTOF-CXAGYDPISA-N 1 2 339.468 3.522 20 0 EHADLO Fc1cccc(F)c1C[N@H+](C[C@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000878499538 1137718126 /nfs/dbraw/zinc/71/81/26/1137718126.db2.gz WQZHVRDNNVSTMB-OAHLLOKOSA-N 1 2 337.410 3.515 20 0 EHADLO Fc1cccc(F)c1C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000878499538 1137718127 /nfs/dbraw/zinc/71/81/27/1137718127.db2.gz WQZHVRDNNVSTMB-OAHLLOKOSA-N 1 2 337.410 3.515 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C)cc1 ZINC000878613056 1137722356 /nfs/dbraw/zinc/72/23/56/1137722356.db2.gz DHDUYHDYBQMGTM-LRDDRELGSA-N 1 2 333.382 3.736 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@H+]2Cc2nccn2CC(F)F)c1 ZINC000878715836 1137726021 /nfs/dbraw/zinc/72/60/21/1137726021.db2.gz DMRPQPDIQVLTJK-AWEZNQCLSA-N 1 2 341.352 3.634 20 0 EHADLO Fc1ccc(F)c(C[C@@H]2CCC[N@@H+]2Cc2nccn2CC(F)F)c1 ZINC000878715836 1137726022 /nfs/dbraw/zinc/72/60/22/1137726022.db2.gz DMRPQPDIQVLTJK-AWEZNQCLSA-N 1 2 341.352 3.634 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878814078 1137728991 /nfs/dbraw/zinc/72/89/91/1137728991.db2.gz WSPNSDDNPALEGA-JSGCOSHPSA-N 1 2 349.299 3.651 20 0 EHADLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000878814078 1137728992 /nfs/dbraw/zinc/72/89/92/1137728992.db2.gz WSPNSDDNPALEGA-JSGCOSHPSA-N 1 2 349.299 3.651 20 0 EHADLO CC1(C)C[C@]1([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1 ZINC000879007809 1137735165 /nfs/dbraw/zinc/73/51/65/1137735165.db2.gz IHCCHAXBJJZBMK-FQEVSTJZSA-N 1 2 335.407 3.857 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cs2)n1 ZINC000879035106 1137736007 /nfs/dbraw/zinc/73/60/07/1137736007.db2.gz PIQDSXFPUVNKKZ-QGZVFWFLSA-N 1 2 339.468 3.570 20 0 EHADLO CC1(C)CC[C@H](CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)OC1 ZINC000879975971 1137763774 /nfs/dbraw/zinc/76/37/74/1137763774.db2.gz KUAHFXPKHVZGKB-BRWVUGGUSA-N 1 2 345.487 3.516 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001575 1137764243 /nfs/dbraw/zinc/76/42/43/1137764243.db2.gz QYDBWPQROBXFMI-ZUZCIYMTSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001575 1137764244 /nfs/dbraw/zinc/76/42/44/1137764244.db2.gz QYDBWPQROBXFMI-ZUZCIYMTSA-N 1 2 325.334 3.671 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001479 1137764302 /nfs/dbraw/zinc/76/43/02/1137764302.db2.gz VVRXPUYJAJFYKF-LKFCYVNXSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001479 1137764303 /nfs/dbraw/zinc/76/43/03/1137764303.db2.gz VVRXPUYJAJFYKF-LKFCYVNXSA-N 1 2 336.304 3.566 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1nc3ccccc3s1)CC2 ZINC000880029444 1137765962 /nfs/dbraw/zinc/76/59/62/1137765962.db2.gz KGGBUZBJSXKGOG-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000880029444 1137765963 /nfs/dbraw/zinc/76/59/63/1137765963.db2.gz KGGBUZBJSXKGOG-UHFFFAOYSA-N 1 2 337.448 3.813 20 0 EHADLO CC1(C)C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCS1 ZINC000888798384 1137766798 /nfs/dbraw/zinc/76/67/98/1137766798.db2.gz GYCXQISQIFYZDF-HZPDHXFCSA-N 1 2 343.496 3.722 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](CF)C1 ZINC000880292661 1137773929 /nfs/dbraw/zinc/77/39/29/1137773929.db2.gz SZICZXGZGGUXCL-GRYCIOLGSA-N 1 2 349.475 3.874 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](CF)C1 ZINC000880292661 1137773930 /nfs/dbraw/zinc/77/39/30/1137773930.db2.gz SZICZXGZGGUXCL-GRYCIOLGSA-N 1 2 349.475 3.874 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880378375 1137777267 /nfs/dbraw/zinc/77/72/67/1137777267.db2.gz SWDHHUKQEZNQNO-ZDUSSCGKSA-N 1 2 330.453 3.623 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880378375 1137777268 /nfs/dbraw/zinc/77/72/68/1137777268.db2.gz SWDHHUKQEZNQNO-ZDUSSCGKSA-N 1 2 330.453 3.623 20 0 EHADLO CC(C)(C)n1ncnc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387632 1137777581 /nfs/dbraw/zinc/77/75/81/1137777581.db2.gz KWQLGEZPJGUNIU-INIZCTEOSA-N 1 2 330.501 3.713 20 0 EHADLO CC(C)(C)n1ncnc1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387632 1137777582 /nfs/dbraw/zinc/77/75/82/1137777582.db2.gz KWQLGEZPJGUNIU-INIZCTEOSA-N 1 2 330.501 3.713 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cs1 ZINC000880551898 1137781200 /nfs/dbraw/zinc/78/12/00/1137781200.db2.gz UWEMHDPKFOBBON-RHSMWYFYSA-N 1 2 343.496 3.835 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cs1 ZINC000880551898 1137781201 /nfs/dbraw/zinc/78/12/01/1137781201.db2.gz UWEMHDPKFOBBON-RHSMWYFYSA-N 1 2 343.496 3.835 20 0 EHADLO CC(C)c1ncc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000128504672 1137781565 /nfs/dbraw/zinc/78/15/65/1137781565.db2.gz KOTHGRPELYISGV-UHFFFAOYSA-N 1 2 339.505 3.709 20 0 EHADLO CC(C)c1ncc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000128504672 1137781566 /nfs/dbraw/zinc/78/15/66/1137781566.db2.gz KOTHGRPELYISGV-UHFFFAOYSA-N 1 2 339.505 3.709 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)CCN1C(=O)OC(C)(C)C ZINC001137162996 1137799785 /nfs/dbraw/zinc/79/97/85/1137799785.db2.gz VORPDYCBSWTHFS-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)CCN1C(=O)OC(C)(C)C ZINC001137162996 1137799786 /nfs/dbraw/zinc/79/97/86/1137799786.db2.gz VORPDYCBSWTHFS-CYBMUJFWSA-N 1 2 339.867 3.566 20 0 EHADLO CCc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000881205592 1137803528 /nfs/dbraw/zinc/80/35/28/1137803528.db2.gz QBURMRKLZSFDKW-UHFFFAOYSA-N 1 2 341.459 3.565 20 0 EHADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000881657065 1137812744 /nfs/dbraw/zinc/81/27/44/1137812744.db2.gz KMMAHPQCYTUKIN-OAHLLOKOSA-N 1 2 347.409 3.736 20 0 EHADLO C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C)n1cc[nH+]c1 ZINC000881657352 1137812777 /nfs/dbraw/zinc/81/27/77/1137812777.db2.gz MECVQMUVAXTQBV-DZGCQCFKSA-N 1 2 347.409 3.907 20 0 EHADLO Cc1ccc([C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2(C)C)cc1 ZINC000881660035 1137813193 /nfs/dbraw/zinc/81/31/93/1137813193.db2.gz JVYJYUGPPXTYEH-FUHWJXTLSA-N 1 2 325.456 3.937 20 0 EHADLO Clc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cn1 ZINC001137168683 1137815884 /nfs/dbraw/zinc/81/58/84/1137815884.db2.gz LSRCQJFMVYYPSU-OKILXGFUSA-N 1 2 336.826 3.765 20 0 EHADLO Clc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cn1 ZINC001137168683 1137815885 /nfs/dbraw/zinc/81/58/85/1137815885.db2.gz LSRCQJFMVYYPSU-OKILXGFUSA-N 1 2 336.826 3.765 20 0 EHADLO CC(=O)c1c(C)cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1C ZINC000882178672 1137822904 /nfs/dbraw/zinc/82/29/04/1137822904.db2.gz JNJSIDICCXFTFQ-KRWDZBQOSA-N 1 2 327.428 3.928 20 0 EHADLO CCCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C(C)C ZINC000882653620 1137830847 /nfs/dbraw/zinc/83/08/47/1137830847.db2.gz VKWCOLGAUSZKFT-HNNXBMFYSA-N 1 2 341.455 3.996 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000130321317 1137836246 /nfs/dbraw/zinc/83/62/46/1137836246.db2.gz JETVCJPSOLISDJ-KRWDZBQOSA-N 1 2 326.444 3.594 20 0 EHADLO CC(C)C[C@H](C)OCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873333 1137836299 /nfs/dbraw/zinc/83/62/99/1137836299.db2.gz XMZSJCRSDKLPJD-PKOBYXMFSA-N 1 2 343.471 3.582 20 0 EHADLO CC(C)c1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000882872632 1137836310 /nfs/dbraw/zinc/83/63/10/1137836310.db2.gz JLEGBMARBQNASV-IBGZPJMESA-N 1 2 334.423 3.573 20 0 EHADLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000882923296 1137838765 /nfs/dbraw/zinc/83/87/65/1137838765.db2.gz AVPQHWFDDNLFPK-UHFFFAOYSA-N 1 2 328.460 3.808 20 0 EHADLO C[C@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1c(F)cccc1Cl ZINC000883027650 1137842021 /nfs/dbraw/zinc/84/20/21/1137842021.db2.gz ISPNPORZGULJSU-JTQLQIEISA-N 1 2 339.867 3.853 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c(OC[C@H]2CCCO2)c1 ZINC000883038468 1137842480 /nfs/dbraw/zinc/84/24/80/1137842480.db2.gz IYHCFFSGYAXHQR-QGZVFWFLSA-N 1 2 343.471 3.689 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[NH+]1CCSCC1 ZINC000130921863 1137843808 /nfs/dbraw/zinc/84/38/08/1137843808.db2.gz QGIKECWLSJACQS-OAHLLOKOSA-N 1 2 341.480 3.806 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1sccc1Cl ZINC000883241058 1137850005 /nfs/dbraw/zinc/85/00/05/1137850005.db2.gz LMEHSIABUDANFL-GFCCVEGCSA-N 1 2 340.880 3.655 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000883259118 1137851057 /nfs/dbraw/zinc/85/10/57/1137851057.db2.gz CAIUZWSMBDMEMP-UHFFFAOYSA-N 1 2 328.243 3.804 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001137186064 1137851111 /nfs/dbraw/zinc/85/11/11/1137851111.db2.gz IXLVFCMENIWYBY-UHFFFAOYSA-N 1 2 325.799 3.547 20 0 EHADLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001137186064 1137851112 /nfs/dbraw/zinc/85/11/12/1137851112.db2.gz IXLVFCMENIWYBY-UHFFFAOYSA-N 1 2 325.799 3.547 20 0 EHADLO CC(C)n1ncnc1C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000883279839 1137852245 /nfs/dbraw/zinc/85/22/45/1137852245.db2.gz IFVNNUONIHBGLK-UHFFFAOYSA-N 1 2 349.232 3.658 20 0 EHADLO CN(c1ccccc1)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cn1 ZINC000883306050 1137853747 /nfs/dbraw/zinc/85/37/47/1137853747.db2.gz MKUZZXAMFGKBEF-UHFFFAOYSA-N 1 2 345.450 3.809 20 0 EHADLO Cc1cc(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c[nH+]c1C ZINC000883341694 1137856065 /nfs/dbraw/zinc/85/60/65/1137856065.db2.gz XSXRQGOWWRKHDC-CYBMUJFWSA-N 1 2 329.391 3.659 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883381071 1137858282 /nfs/dbraw/zinc/85/82/82/1137858282.db2.gz GASNAKUHCRFCLO-DZGCQCFKSA-N 1 2 327.325 3.554 20 0 EHADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000883382726 1137858484 /nfs/dbraw/zinc/85/84/84/1137858484.db2.gz MCDBRARAIWMYBI-HOTGVXAUSA-N 1 2 335.220 3.959 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c(OC)c1OC ZINC000883383567 1137858613 /nfs/dbraw/zinc/85/86/13/1137858613.db2.gz AYPURODUSDXOMT-FUHWJXTLSA-N 1 2 345.414 3.828 20 0 EHADLO O[C@@H](C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1)c1ccco1 ZINC000131925046 1137861429 /nfs/dbraw/zinc/86/14/29/1137861429.db2.gz UVZWANIJCQBOMD-IBGZPJMESA-N 1 2 347.418 3.892 20 0 EHADLO O[C@@H](C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1)c1ccco1 ZINC000131925046 1137861430 /nfs/dbraw/zinc/86/14/30/1137861430.db2.gz UVZWANIJCQBOMD-IBGZPJMESA-N 1 2 347.418 3.892 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC(F)(F)CC1 ZINC000883565893 1137863955 /nfs/dbraw/zinc/86/39/55/1137863955.db2.gz GKYWPXURGKAFRT-MRXNPFEDSA-N 1 2 348.397 3.502 20 0 EHADLO Cc1ccc2c(Nc3ccc(N4CCC(O)CC4)nc3)cccc2[nH+]1 ZINC001212795205 1137864616 /nfs/dbraw/zinc/86/46/16/1137864616.db2.gz UTXDHHFJEXLVQJ-UHFFFAOYSA-N 1 2 334.423 3.643 20 0 EHADLO COCCCn1nccc1C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000282842505 1137873407 /nfs/dbraw/zinc/87/34/07/1137873407.db2.gz RUJFKDRBBSWYGK-UHFFFAOYSA-N 1 2 342.270 3.858 20 0 EHADLO COCCCn1nccc1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000282842505 1137873408 /nfs/dbraw/zinc/87/34/08/1137873408.db2.gz RUJFKDRBBSWYGK-UHFFFAOYSA-N 1 2 342.270 3.858 20 0 EHADLO CCc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCCC2)cs1 ZINC000102677991 1137873788 /nfs/dbraw/zinc/87/37/88/1137873788.db2.gz ZIJIOSZDNNVBIF-UHFFFAOYSA-N 1 2 329.469 3.986 20 0 EHADLO FC(F)(F)c1ccc(C2CC[NH+](Cc3nncs3)CC2)cc1 ZINC000930178778 1137883808 /nfs/dbraw/zinc/88/38/08/1137883808.db2.gz AMRKZCKGOACCGJ-UHFFFAOYSA-N 1 2 327.375 3.937 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000111376879 1137904502 /nfs/dbraw/zinc/90/45/02/1137904502.db2.gz SGVUHBDXVAUXJJ-RWMBFGLXSA-N 1 2 349.475 3.761 20 0 EHADLO COCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000112353827 1137907350 /nfs/dbraw/zinc/90/73/50/1137907350.db2.gz AHLAAPOBFSDNIQ-UHFFFAOYSA-N 1 2 332.469 3.581 20 0 EHADLO O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001137203212 1137910621 /nfs/dbraw/zinc/91/06/21/1137910621.db2.gz POSHILLIKWCZRM-GXTWGEPZSA-N 1 2 343.393 3.875 20 0 EHADLO O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001137203212 1137910622 /nfs/dbraw/zinc/91/06/22/1137910622.db2.gz POSHILLIKWCZRM-GXTWGEPZSA-N 1 2 343.393 3.875 20 0 EHADLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331685723 1137917085 /nfs/dbraw/zinc/91/70/85/1137917085.db2.gz UWHLEUXYAVEZCU-AWEZNQCLSA-N 1 2 344.463 3.625 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000331802269 1137921329 /nfs/dbraw/zinc/92/13/29/1137921329.db2.gz QSQIKQBAOBCDJW-PBHICJAKSA-N 1 2 329.419 3.872 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918224 1137925536 /nfs/dbraw/zinc/92/55/36/1137925536.db2.gz NXAKQJOQLCRRDL-CJNGLKHVSA-N 1 2 331.412 3.777 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cc(=O)c(OC)co2)o1 ZINC000331918224 1137925537 /nfs/dbraw/zinc/92/55/37/1137925537.db2.gz NXAKQJOQLCRRDL-CJNGLKHVSA-N 1 2 331.412 3.777 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000332148708 1137933505 /nfs/dbraw/zinc/93/35/05/1137933505.db2.gz IAZPGTUKMYHFQR-GOSISDBHSA-N 1 2 326.444 3.592 20 0 EHADLO CC(C)CC[C@@H]1CCCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332251652 1137937362 /nfs/dbraw/zinc/93/73/62/1137937362.db2.gz BWULMPACZZQLJT-KRWDZBQOSA-N 1 2 332.492 3.720 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000015521908 1137940502 /nfs/dbraw/zinc/94/05/02/1137940502.db2.gz DLBWNGVRKSZAEC-INIZCTEOSA-N 1 2 335.810 3.593 20 0 EHADLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000015521908 1137940503 /nfs/dbraw/zinc/94/05/03/1137940503.db2.gz DLBWNGVRKSZAEC-INIZCTEOSA-N 1 2 335.810 3.593 20 0 EHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332347147 1137940798 /nfs/dbraw/zinc/94/07/98/1137940798.db2.gz UBYWCNARKZLXTC-CABCVRRESA-N 1 2 332.492 3.576 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000119673771 1137943634 /nfs/dbraw/zinc/94/36/34/1137943634.db2.gz DBGGXOHXTVIEAW-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000119673771 1137943635 /nfs/dbraw/zinc/94/36/35/1137943635.db2.gz DBGGXOHXTVIEAW-UHFFFAOYSA-N 1 2 343.862 3.508 20 0 EHADLO COCCCC[C@H]([NH2+]Cc1csc(NC(C)=O)n1)c1ccccc1 ZINC000348330061 1137965720 /nfs/dbraw/zinc/96/57/20/1137965720.db2.gz MTJJGWKZHJLZIR-KRWDZBQOSA-N 1 2 347.484 3.749 20 0 EHADLO OCC[C@@H](Nc1[nH+]ccc2cc(Br)ccc21)C(F)(F)F ZINC000884833406 1137975839 /nfs/dbraw/zinc/97/58/39/1137975839.db2.gz KDFBAIPSZGWPAE-LLVKDONJSA-N 1 2 349.150 3.723 20 0 EHADLO C[C@H](CC1CCC1)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242252 1138022779 /nfs/dbraw/zinc/02/27/79/1138022779.db2.gz NVRNLHIZFSTMIP-CRAIPNDOSA-N 1 2 326.444 3.502 20 0 EHADLO Cn1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)n1 ZINC000348356583 1138024073 /nfs/dbraw/zinc/02/40/73/1138024073.db2.gz ZOAUVYNNVNIBHJ-SFHVURJKSA-N 1 2 326.831 3.542 20 0 EHADLO C[C@H]1CCCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890253069 1138032334 /nfs/dbraw/zinc/03/23/34/1138032334.db2.gz WFICOBUIYKIUNZ-FUHWJXTLSA-N 1 2 326.444 3.599 20 0 EHADLO COc1cc(C)cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1OC ZINC000886099471 1138039692 /nfs/dbraw/zinc/03/96/92/1138039692.db2.gz YTXBZKHYVFSEGY-UHFFFAOYSA-N 1 2 343.320 3.858 20 0 EHADLO CCc1ccc(C[NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)o1 ZINC000886265289 1138062511 /nfs/dbraw/zinc/06/25/11/1138062511.db2.gz DGOSVWPWXIMXHF-UHFFFAOYSA-N 1 2 331.416 3.874 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327612 1138067578 /nfs/dbraw/zinc/06/75/78/1138067578.db2.gz NOSTURMLMGQSHQ-KXNHARMFSA-N 1 2 329.469 3.534 20 0 EHADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327612 1138067581 /nfs/dbraw/zinc/06/75/81/1138067581.db2.gz NOSTURMLMGQSHQ-KXNHARMFSA-N 1 2 329.469 3.534 20 0 EHADLO CC[N@H+](Cc1ncc(C(C)C)o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412430 1138073861 /nfs/dbraw/zinc/07/38/61/1138073861.db2.gz GZUYSPVBYHELCN-CQSZACIVSA-N 1 2 337.464 3.629 20 0 EHADLO CC[N@@H+](Cc1ncc(C(C)C)o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412430 1138073862 /nfs/dbraw/zinc/07/38/62/1138073862.db2.gz GZUYSPVBYHELCN-CQSZACIVSA-N 1 2 337.464 3.629 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2scnc2C)c1 ZINC000066563360 1138075917 /nfs/dbraw/zinc/07/59/17/1138075917.db2.gz XVMZQERDFOJQHQ-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2scnc2C)c1 ZINC000066563360 1138075919 /nfs/dbraw/zinc/07/59/19/1138075919.db2.gz XVMZQERDFOJQHQ-LBPRGKRZSA-N 1 2 335.498 3.632 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000886432211 1138076242 /nfs/dbraw/zinc/07/62/42/1138076242.db2.gz RJEIDSZTIOWVSA-GOSISDBHSA-N 1 2 339.464 3.679 20 0 EHADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000886432211 1138076245 /nfs/dbraw/zinc/07/62/45/1138076245.db2.gz RJEIDSZTIOWVSA-GOSISDBHSA-N 1 2 339.464 3.679 20 0 EHADLO CC(C)CCOc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000066940540 1138079010 /nfs/dbraw/zinc/07/90/10/1138079010.db2.gz YSOSPNAZJZHSCM-IBGZPJMESA-N 1 2 344.430 3.567 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000067441597 1138080926 /nfs/dbraw/zinc/08/09/26/1138080926.db2.gz MWENWSUUQVCBLT-UONOGXRCSA-N 1 2 337.423 3.652 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000067441593 1138081036 /nfs/dbraw/zinc/08/10/36/1138081036.db2.gz MWENWSUUQVCBLT-KBPBESRZSA-N 1 2 337.423 3.652 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000072555985 1138105683 /nfs/dbraw/zinc/10/56/83/1138105683.db2.gz RWWFBTAUAUDEOV-QGZVFWFLSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000072555985 1138105685 /nfs/dbraw/zinc/10/56/85/1138105685.db2.gz RWWFBTAUAUDEOV-QGZVFWFLSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000886713085 1138123040 /nfs/dbraw/zinc/12/30/40/1138123040.db2.gz SWSQOUJZBFMHHX-AWEZNQCLSA-N 1 2 325.387 3.959 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000886793531 1138141941 /nfs/dbraw/zinc/14/19/41/1138141941.db2.gz NECMYAAEVNYXKE-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000886793531 1138141943 /nfs/dbraw/zinc/14/19/43/1138141943.db2.gz NECMYAAEVNYXKE-GFCCVEGCSA-N 1 2 328.161 3.740 20 0 EHADLO CC[N@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000078777728 1138152232 /nfs/dbraw/zinc/15/22/32/1138152232.db2.gz WMGUNJAYVGYPBK-UHFFFAOYSA-N 1 2 345.436 3.767 20 0 EHADLO CC[N@@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000078777728 1138152234 /nfs/dbraw/zinc/15/22/34/1138152234.db2.gz WMGUNJAYVGYPBK-UHFFFAOYSA-N 1 2 345.436 3.767 20 0 EHADLO C[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)Cn1cc[nH+]c1 ZINC000081800570 1138171272 /nfs/dbraw/zinc/17/12/72/1138171272.db2.gz RLYDUPYZJVAUSU-HNNXBMFYSA-N 1 2 331.485 3.599 20 0 EHADLO COc1ccc(-c2noc(C[NH2+][C@H]3CCc4c3cccc4F)n2)cc1 ZINC000886920722 1138172551 /nfs/dbraw/zinc/17/25/51/1138172551.db2.gz IABZHWJJKKPYLN-KRWDZBQOSA-N 1 2 339.370 3.661 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1nc(-c2ccsc2)no1)CC1CC1 ZINC000084138085 1138177854 /nfs/dbraw/zinc/17/78/54/1138177854.db2.gz SFKHNCTYQVXRNB-UHFFFAOYSA-N 1 2 331.363 3.963 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1nc(-c2ccsc2)no1)CC1CC1 ZINC000084138085 1138177856 /nfs/dbraw/zinc/17/78/56/1138177856.db2.gz SFKHNCTYQVXRNB-UHFFFAOYSA-N 1 2 331.363 3.963 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234793 1138186325 /nfs/dbraw/zinc/18/63/25/1138186325.db2.gz LWXXMVFSGHBZQM-CQSZACIVSA-N 1 2 328.412 3.842 20 0 EHADLO CCOc1ccccc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234793 1138186328 /nfs/dbraw/zinc/18/63/28/1138186328.db2.gz LWXXMVFSGHBZQM-CQSZACIVSA-N 1 2 328.412 3.842 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000086371294 1138186908 /nfs/dbraw/zinc/18/69/08/1138186908.db2.gz WFNIPSUKGZTKBH-HNNXBMFYSA-N 1 2 326.444 3.591 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)nn1 ZINC000348404769 1138212533 /nfs/dbraw/zinc/21/25/33/1138212533.db2.gz IENDXCLZPQWOQG-UHFFFAOYSA-N 1 2 331.423 3.689 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+](C)Cc2cccc3[nH]ccc32)nn1 ZINC000348404769 1138212534 /nfs/dbraw/zinc/21/25/34/1138212534.db2.gz IENDXCLZPQWOQG-UHFFFAOYSA-N 1 2 331.423 3.689 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cs1 ZINC000091723621 1138221065 /nfs/dbraw/zinc/22/10/65/1138221065.db2.gz FIHUQPLLRPYQQZ-VXGBXAGGSA-N 1 2 329.473 3.777 20 0 EHADLO COc1ccccc1OC1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137237932 1138222774 /nfs/dbraw/zinc/22/27/74/1138222774.db2.gz LOPFCHDRYARTAP-UHFFFAOYSA-N 1 2 332.831 3.787 20 0 EHADLO COCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092730073 1138230990 /nfs/dbraw/zinc/23/09/90/1138230990.db2.gz VHCQLPIXYAGREU-GOSISDBHSA-N 1 2 329.444 3.552 20 0 EHADLO COCCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092730073 1138230992 /nfs/dbraw/zinc/23/09/92/1138230992.db2.gz VHCQLPIXYAGREU-GOSISDBHSA-N 1 2 329.444 3.552 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(C)CC=CCC3)CC2)cc1 ZINC000826543245 1138236505 /nfs/dbraw/zinc/23/65/05/1138236505.db2.gz LUHQAKRFFGTPPE-OAQYLSRUSA-N 1 2 341.499 3.584 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)C[C@H](c2ccsc2)O1 ZINC000093768890 1138240814 /nfs/dbraw/zinc/24/08/14/1138240814.db2.gz BXQUNRQVHUPBCW-MAUKXSAKSA-N 1 2 343.496 3.705 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H](c2ccsc2)O1 ZINC000093768890 1138240816 /nfs/dbraw/zinc/24/08/16/1138240816.db2.gz BXQUNRQVHUPBCW-MAUKXSAKSA-N 1 2 343.496 3.705 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(OC)c2)s1 ZINC000122111118 1138254687 /nfs/dbraw/zinc/25/46/87/1138254687.db2.gz YNQCHMVUXYJRTK-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(OC)c2)s1 ZINC000122111118 1138254688 /nfs/dbraw/zinc/25/46/88/1138254688.db2.gz YNQCHMVUXYJRTK-CYBMUJFWSA-N 1 2 347.484 3.654 20 0 EHADLO C[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1Cl ZINC000122420425 1138257876 /nfs/dbraw/zinc/25/78/76/1138257876.db2.gz FNRNKQPLMPMARN-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccccc1Cl ZINC000122420425 1138257877 /nfs/dbraw/zinc/25/78/77/1138257877.db2.gz FNRNKQPLMPMARN-CQSZACIVSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123121500 1138266321 /nfs/dbraw/zinc/26/63/21/1138266321.db2.gz CXXXKLRCZKGCCC-YOEHRIQHSA-N 1 2 331.847 3.579 20 0 EHADLO C[C@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123425298 1138270065 /nfs/dbraw/zinc/27/00/65/1138270065.db2.gz YQQXILBAFBNKOI-OXJNMPFZSA-N 1 2 346.434 3.668 20 0 EHADLO CC(C)(C)[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000333311902 1138276165 /nfs/dbraw/zinc/27/61/65/1138276165.db2.gz NQUQYGINXSXHHJ-HOCLYGCPSA-N 1 2 338.455 3.557 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccccc1C(F)(F)F ZINC000125433657 1138308585 /nfs/dbraw/zinc/30/85/85/1138308585.db2.gz VWWNLBJPYUPVBV-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccccc1C(F)(F)F ZINC000125433657 1138308587 /nfs/dbraw/zinc/30/85/87/1138308587.db2.gz VWWNLBJPYUPVBV-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccccc1C(F)(F)F ZINC000125433888 1138308765 /nfs/dbraw/zinc/30/87/65/1138308765.db2.gz VWWNLBJPYUPVBV-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccccc1C(F)(F)F ZINC000125433888 1138308768 /nfs/dbraw/zinc/30/87/68/1138308768.db2.gz VWWNLBJPYUPVBV-INIZCTEOSA-N 1 2 349.356 3.876 20 0 EHADLO CC[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000125628886 1138313052 /nfs/dbraw/zinc/31/30/52/1138313052.db2.gz OSWKWLRMGMABTR-ZHALLVOQSA-N 1 2 325.456 3.877 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000263692094 1138343867 /nfs/dbraw/zinc/34/38/67/1138343867.db2.gz CNTWBIQJVPIETN-UHFFFAOYSA-N 1 2 332.473 3.986 20 0 EHADLO C[C@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000333914067 1138347215 /nfs/dbraw/zinc/34/72/15/1138347215.db2.gz YMGKRAYKHBLGHW-DOTOQJQBSA-N 1 2 330.476 3.612 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3C)c2C1 ZINC000263860180 1138381885 /nfs/dbraw/zinc/38/18/85/1138381885.db2.gz SDMSMORRAYGWDF-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3C)c2C1 ZINC000263860180 1138381889 /nfs/dbraw/zinc/38/18/89/1138381889.db2.gz SDMSMORRAYGWDF-UHFFFAOYSA-N 1 2 330.453 3.521 20 0 EHADLO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000128559297 1138392740 /nfs/dbraw/zinc/39/27/40/1138392740.db2.gz OQCDBTPESZVTTA-CYBMUJFWSA-N 1 2 329.227 3.512 20 0 EHADLO Cc1ccc(SCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000263955544 1138397415 /nfs/dbraw/zinc/39/74/15/1138397415.db2.gz SEKMYSOAWLIJAE-INIZCTEOSA-N 1 2 343.496 3.915 20 0 EHADLO CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000128850776 1138399103 /nfs/dbraw/zinc/39/91/03/1138399103.db2.gz FYHBLYJXBGPBLS-KDOFPFPSSA-N 1 2 342.443 3.705 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000336874882 1138418872 /nfs/dbraw/zinc/41/88/72/1138418872.db2.gz YUYJXSKSOJFPEB-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000336874882 1138418873 /nfs/dbraw/zinc/41/88/73/1138418873.db2.gz YUYJXSKSOJFPEB-LLVKDONJSA-N 1 2 342.390 3.640 20 0 EHADLO CC(C)n1cnc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000336955224 1138434291 /nfs/dbraw/zinc/43/42/91/1138434291.db2.gz UUPPRLVOIZWSIE-UHFFFAOYSA-N 1 2 329.791 3.555 20 0 EHADLO Cc1ncsc1C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000264237666 1138451005 /nfs/dbraw/zinc/45/10/05/1138451005.db2.gz DYUBWHDZPFTJEG-NSHDSACASA-N 1 2 332.404 3.800 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000130682214 1138468939 /nfs/dbraw/zinc/46/89/39/1138468939.db2.gz KXYIGTSQEQRXJS-GOSISDBHSA-N 1 2 335.455 3.608 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000130682214 1138468943 /nfs/dbraw/zinc/46/89/43/1138468943.db2.gz KXYIGTSQEQRXJS-GOSISDBHSA-N 1 2 335.455 3.608 20 0 EHADLO CN(C)c1noc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000337146720 1138479140 /nfs/dbraw/zinc/47/91/40/1138479140.db2.gz YLRGWCMMNKKEGT-UHFFFAOYSA-N 1 2 334.423 3.578 20 0 EHADLO CN(C)c1noc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000337146720 1138479142 /nfs/dbraw/zinc/47/91/42/1138479142.db2.gz YLRGWCMMNKKEGT-UHFFFAOYSA-N 1 2 334.423 3.578 20 0 EHADLO Fc1cccc(C[NH+]2CCN(Cc3cnc4ccccc4c3)CC2)c1 ZINC000337152592 1138480369 /nfs/dbraw/zinc/48/03/69/1138480369.db2.gz LCYTVYSWLMJOQT-UHFFFAOYSA-N 1 2 335.426 3.692 20 0 EHADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1F ZINC000337161107 1138482779 /nfs/dbraw/zinc/48/27/79/1138482779.db2.gz TYROFQMPFTUHSJ-ZDUSSCGKSA-N 1 2 341.361 3.701 20 0 EHADLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cn3c(cccc3C)n2)o1 ZINC000130896189 1138482984 /nfs/dbraw/zinc/48/29/84/1138482984.db2.gz JPVIPAKCUMIAEV-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)o1 ZINC000130896189 1138482985 /nfs/dbraw/zinc/48/29/85/1138482985.db2.gz JPVIPAKCUMIAEV-QGZVFWFLSA-N 1 2 325.412 3.719 20 0 EHADLO O=C(CCCC(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337165520 1138483655 /nfs/dbraw/zinc/48/36/55/1138483655.db2.gz XRPUKCVNZQVVFL-CYBMUJFWSA-N 1 2 343.393 3.658 20 0 EHADLO C[C@H]1CCC[C@@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000337213561 1138496858 /nfs/dbraw/zinc/49/68/58/1138496858.db2.gz CUJJVFUHCCUMBF-UONOGXRCSA-N 1 2 336.505 3.687 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1)[NH+]1CCOCC1 ZINC000264492536 1138535363 /nfs/dbraw/zinc/53/53/63/1138535363.db2.gz JMAMKRRGIBTRIY-HNNXBMFYSA-N 1 2 349.434 3.813 20 0 EHADLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(C)c1OC(F)F ZINC000264513186 1138542986 /nfs/dbraw/zinc/54/29/86/1138542986.db2.gz LVAZCFDDOJZXJO-UHFFFAOYSA-N 1 2 349.381 3.648 20 0 EHADLO Cn1ncc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000131934621 1138551988 /nfs/dbraw/zinc/55/19/88/1138551988.db2.gz QYUXWHNYXBFTFH-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000337413420 1138561025 /nfs/dbraw/zinc/56/10/25/1138561025.db2.gz QEMOFDPHPIEULM-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000337413420 1138561026 /nfs/dbraw/zinc/56/10/26/1138561026.db2.gz QEMOFDPHPIEULM-CQSZACIVSA-N 1 2 342.414 3.528 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC000264609182 1138575051 /nfs/dbraw/zinc/57/50/51/1138575051.db2.gz IUBFQBSBUQMCPI-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC000264609182 1138575052 /nfs/dbraw/zinc/57/50/52/1138575052.db2.gz IUBFQBSBUQMCPI-AWEZNQCLSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552289 1138588442 /nfs/dbraw/zinc/58/84/42/1138588442.db2.gz YHLAVYHHEROLHO-IRXDYDNUSA-N 1 2 347.462 3.933 20 0 EHADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000132552289 1138588445 /nfs/dbraw/zinc/58/84/45/1138588445.db2.gz YHLAVYHHEROLHO-IRXDYDNUSA-N 1 2 347.462 3.933 20 0 EHADLO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000337540220 1138599337 /nfs/dbraw/zinc/59/93/37/1138599337.db2.gz IWHLQPAPQODIMY-INIZCTEOSA-N 1 2 346.862 3.988 20 0 EHADLO CCN(c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1)C(C)C ZINC000337544704 1138601107 /nfs/dbraw/zinc/60/11/07/1138601107.db2.gz TYCCFUQCAZYJTQ-UHFFFAOYSA-N 1 2 349.438 3.959 20 0 EHADLO Cc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc(C2CC2)[nH+]1 ZINC000264688065 1138605486 /nfs/dbraw/zinc/60/54/86/1138605486.db2.gz YOHIWFCHNLTRAG-UHFFFAOYSA-N 1 2 333.439 3.923 20 0 EHADLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C(C)C)no1 ZINC000132986523 1138614912 /nfs/dbraw/zinc/61/49/12/1138614912.db2.gz VRHDLAOBCFMEGD-ZDUSSCGKSA-N 1 2 333.432 3.793 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nc(C(C)C)no1 ZINC000132986523 1138614913 /nfs/dbraw/zinc/61/49/13/1138614913.db2.gz VRHDLAOBCFMEGD-ZDUSSCGKSA-N 1 2 333.432 3.793 20 0 EHADLO CC[C@@H](C)CN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264770607 1138634077 /nfs/dbraw/zinc/63/40/77/1138634077.db2.gz SEKPVNBBXBOGRL-CVEARBPZSA-N 1 2 333.476 3.590 20 0 EHADLO Cc1nonc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000265030666 1138705937 /nfs/dbraw/zinc/70/59/37/1138705937.db2.gz KWLDDUYCNLCQSF-UHFFFAOYSA-N 1 2 332.791 3.552 20 0 EHADLO O=C(CCn1cc[nH+]c1)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000337998340 1138719767 /nfs/dbraw/zinc/71/97/67/1138719767.db2.gz GEPXPUQQLPQERE-UHFFFAOYSA-N 1 2 349.369 3.594 20 0 EHADLO CCCN(CC)c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC000338001844 1138720341 /nfs/dbraw/zinc/72/03/41/1138720341.db2.gz DDGCPGGHUINUNO-UHFFFAOYSA-N 1 2 349.438 3.756 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000135049817 1138722228 /nfs/dbraw/zinc/72/22/28/1138722228.db2.gz UERNFXWSFUJZON-ZDUSSCGKSA-N 1 2 341.842 3.780 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000135049817 1138722230 /nfs/dbraw/zinc/72/22/30/1138722230.db2.gz UERNFXWSFUJZON-ZDUSSCGKSA-N 1 2 341.842 3.780 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC000265169761 1138753876 /nfs/dbraw/zinc/75/38/76/1138753876.db2.gz ILGZSBLXAGNNSR-UHFFFAOYSA-N 1 2 339.464 3.587 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000135601334 1138761825 /nfs/dbraw/zinc/76/18/25/1138761825.db2.gz VTLRVFXLTHJOPR-OAQYLSRUSA-N 1 2 345.446 3.683 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2nnc3n2CCCCC3)CC2CC2)cc1 ZINC000265231710 1138774471 /nfs/dbraw/zinc/77/44/71/1138774471.db2.gz QXZSDABKMBFFCE-UHFFFAOYSA-N 1 2 328.435 3.556 20 0 EHADLO Fc1ccc(C[N@H+](Cc2nnc3n2CCCCC3)CC2CC2)cc1 ZINC000265231710 1138774473 /nfs/dbraw/zinc/77/44/73/1138774473.db2.gz QXZSDABKMBFFCE-UHFFFAOYSA-N 1 2 328.435 3.556 20 0 EHADLO O=C(c1coc2ccccc12)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338253641 1138802141 /nfs/dbraw/zinc/80/21/41/1138802141.db2.gz DXFHNMPQJLHZGP-QGZVFWFLSA-N 1 2 340.810 3.873 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(-c2cccs2)c1 ZINC000338254490 1138802669 /nfs/dbraw/zinc/80/26/69/1138802669.db2.gz VITLCLACPJFXPL-ZDUSSCGKSA-N 1 2 326.425 3.822 20 0 EHADLO O=C(c1ccc2c(c1)CCC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338263258 1138806460 /nfs/dbraw/zinc/80/64/60/1138806460.db2.gz ZXDHIZUSKDPWAW-IBGZPJMESA-N 1 2 340.854 3.615 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCCOc2c(C)cccc2C)[nH]1 ZINC000338315928 1138830385 /nfs/dbraw/zinc/83/03/85/1138830385.db2.gz DTDLUBYIPRGUHI-KRWDZBQOSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCCOc2c(C)cccc2C)[nH]1 ZINC000338315928 1138830390 /nfs/dbraw/zinc/83/03/90/1138830390.db2.gz DTDLUBYIPRGUHI-KRWDZBQOSA-N 1 2 328.460 3.726 20 0 EHADLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nnc(C)[nH]2)cc1 ZINC000338331659 1138836395 /nfs/dbraw/zinc/83/63/95/1138836395.db2.gz JCZBLLGIWYTXKL-SFHVURJKSA-N 1 2 344.459 3.508 20 0 EHADLO CCCOc1ccc(OCC[N@H+]2CCCC[C@H]2c2nnc(C)[nH]2)cc1 ZINC000338331659 1138836404 /nfs/dbraw/zinc/83/64/04/1138836404.db2.gz JCZBLLGIWYTXKL-SFHVURJKSA-N 1 2 344.459 3.508 20 0 EHADLO COc1ccc(C[N@@H+](Cc2ncc(C)cn2)CC2CCC2)c(OC)c1 ZINC000338333700 1138837134 /nfs/dbraw/zinc/83/71/34/1138837134.db2.gz RSRZDPDUTNYNNB-UHFFFAOYSA-N 1 2 341.455 3.605 20 0 EHADLO COc1ccc(C[N@H+](Cc2ncc(C)cn2)CC2CCC2)c(OC)c1 ZINC000338333700 1138837147 /nfs/dbraw/zinc/83/71/47/1138837147.db2.gz RSRZDPDUTNYNNB-UHFFFAOYSA-N 1 2 341.455 3.605 20 0 EHADLO CC[N@@H+](Cc1csc(C(C)C)n1)C[C@@H]1COc2ccccc2O1 ZINC000338351337 1138848104 /nfs/dbraw/zinc/84/81/04/1138848104.db2.gz IYHWLSYSFYXPEA-OAHLLOKOSA-N 1 2 332.469 3.928 20 0 EHADLO CC[N@H+](Cc1csc(C(C)C)n1)C[C@@H]1COc2ccccc2O1 ZINC000338351337 1138848113 /nfs/dbraw/zinc/84/81/13/1138848113.db2.gz IYHWLSYSFYXPEA-OAHLLOKOSA-N 1 2 332.469 3.928 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC(C)=C(c3ccco3)C2)sc1C ZINC000338369393 1138864436 /nfs/dbraw/zinc/86/44/36/1138864436.db2.gz NWAXQKISRHQVRW-ZDUSSCGKSA-N 1 2 345.468 3.859 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC(C)=C(c3ccco3)C2)sc1C ZINC000338369393 1138864443 /nfs/dbraw/zinc/86/44/43/1138864443.db2.gz NWAXQKISRHQVRW-ZDUSSCGKSA-N 1 2 345.468 3.859 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2cccs2)c(C)c1 ZINC000338415759 1138904365 /nfs/dbraw/zinc/90/43/65/1138904365.db2.gz YOISQFBLTZSRMZ-SFHVURJKSA-N 1 2 339.464 3.662 20 0 EHADLO C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000338470409 1138930274 /nfs/dbraw/zinc/93/02/74/1138930274.db2.gz SXHALMXBIGESJG-CABCVRRESA-N 1 2 344.434 3.637 20 0 EHADLO CCc1nc2cc(CNc3cc(C)[nH+]c(C4CC4)n3)ccc2n1C1CC1 ZINC000338490476 1138939272 /nfs/dbraw/zinc/93/92/72/1138939272.db2.gz XTLBVJSGSHPSPQ-UHFFFAOYSA-N 1 2 347.466 3.943 20 0 EHADLO CCCc1nc(CNc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000153662191 1139146520 /nfs/dbraw/zinc/14/65/20/1139146520.db2.gz XRWDPLFOFYLJLJ-UHFFFAOYSA-N 1 2 331.485 3.540 20 0 EHADLO C[C@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889550271 1139231068 /nfs/dbraw/zinc/23/10/68/1139231068.db2.gz CUQVWKPCZRTWLE-ULQDDVLXSA-N 1 2 342.487 3.779 20 0 EHADLO CN(C[C@@H]1CC=CCC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889552118 1139231781 /nfs/dbraw/zinc/23/17/81/1139231781.db2.gz DGDYZZRAVFCXIB-KZNAEPCWSA-N 1 2 342.487 3.802 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137260139 1139302396 /nfs/dbraw/zinc/30/23/96/1139302396.db2.gz GZVGMXOIUGMJFR-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137260139 1139302404 /nfs/dbraw/zinc/30/24/04/1139302404.db2.gz GZVGMXOIUGMJFR-UHFFFAOYSA-N 1 2 345.826 3.694 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000826696014 1139364194 /nfs/dbraw/zinc/36/41/94/1139364194.db2.gz LKOHETLECXSAQC-KRWDZBQOSA-N 1 2 330.378 3.715 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000826696014 1139364201 /nfs/dbraw/zinc/36/42/01/1139364201.db2.gz LKOHETLECXSAQC-KRWDZBQOSA-N 1 2 330.378 3.715 20 0 EHADLO CC[C@H](C)[C@@H](C)N(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000175234147 1139474840 /nfs/dbraw/zinc/47/48/40/1139474840.db2.gz LXINLPRZDJILHQ-JKSUJKDBSA-N 1 2 344.503 3.790 20 0 EHADLO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175259530 1139476677 /nfs/dbraw/zinc/47/66/77/1139476677.db2.gz UPDIMIFJNRTJRY-NEPJUHHUSA-N 1 2 335.498 3.851 20 0 EHADLO Cc1ccc(C(F)(F)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000780404069 1139549988 /nfs/dbraw/zinc/54/99/88/1139549988.db2.gz URVJRAFTHYUYFA-UHFFFAOYSA-N 1 2 341.361 3.589 20 0 EHADLO CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000176503207 1139561467 /nfs/dbraw/zinc/56/14/67/1139561467.db2.gz MWJDHLRNANQHJL-HZPDHXFCSA-N 1 2 345.487 3.750 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnccn2)cc1SC(F)(F)F ZINC000177239012 1139606882 /nfs/dbraw/zinc/60/68/82/1139606882.db2.gz FFKPQFFBOFHZMY-UHFFFAOYSA-N 1 2 343.374 3.729 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1SC(F)(F)F ZINC000177239012 1139606883 /nfs/dbraw/zinc/60/68/83/1139606883.db2.gz FFKPQFFBOFHZMY-UHFFFAOYSA-N 1 2 343.374 3.729 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177491430 1139622945 /nfs/dbraw/zinc/62/29/45/1139622945.db2.gz SZPSAFFIDPGMHF-DOMZBBRYSA-N 1 2 343.427 3.960 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000177517600 1139624134 /nfs/dbraw/zinc/62/41/34/1139624134.db2.gz UZWDGXCMMRQAKK-MLGOLLRUSA-N 1 2 349.887 3.982 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cnc(Cl)cc2C)c1C ZINC000178097545 1139670267 /nfs/dbraw/zinc/67/02/67/1139670267.db2.gz PKEYRNXVMPYDJK-UHFFFAOYSA-N 1 2 348.834 3.728 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1N1CCCCC1 ZINC000178157775 1139674919 /nfs/dbraw/zinc/67/49/19/1139674919.db2.gz ITQKDTJOKVWWOI-UHFFFAOYSA-N 1 2 349.438 3.646 20 0 EHADLO CC/C(=C\C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(OC)cc1 ZINC000178540587 1139702421 /nfs/dbraw/zinc/70/24/21/1139702421.db2.gz NQVPDRNZUUFADQ-JQIJEIRASA-N 1 2 339.439 3.549 20 0 EHADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1F ZINC000179490629 1139760976 /nfs/dbraw/zinc/76/09/76/1139760976.db2.gz AFHDHBWCJJLTJJ-OAQYLSRUSA-N 1 2 325.836 3.849 20 0 EHADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1F ZINC000179490629 1139760982 /nfs/dbraw/zinc/76/09/82/1139760982.db2.gz AFHDHBWCJJLTJJ-OAQYLSRUSA-N 1 2 325.836 3.849 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cs1 ZINC000179524759 1139763394 /nfs/dbraw/zinc/76/33/94/1139763394.db2.gz DRWBGNBDDKBHKW-LBPRGKRZSA-N 1 2 333.457 3.740 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cs1 ZINC000179580572 1139765937 /nfs/dbraw/zinc/76/59/37/1139765937.db2.gz HNWRRMWFFOKEPJ-VIFPVBQESA-N 1 2 341.383 3.554 20 0 EHADLO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(C2CC2)no1 ZINC000179761975 1139780840 /nfs/dbraw/zinc/78/08/40/1139780840.db2.gz QFBYOZGOVIIGPJ-DIFFPNOSSA-N 1 2 341.411 3.520 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)n1 ZINC000180249668 1139820483 /nfs/dbraw/zinc/82/04/83/1139820483.db2.gz XGYJKFHRAXXXGL-HNNXBMFYSA-N 1 2 343.349 3.722 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181218351 1139893227 /nfs/dbraw/zinc/89/32/27/1139893227.db2.gz QQXYVUIHXLPPHJ-RDJZCZTQSA-N 1 2 329.444 3.526 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)c(F)c1 ZINC000181430499 1139906913 /nfs/dbraw/zinc/90/69/13/1139906913.db2.gz UAVLZVXCROCITH-INIZCTEOSA-N 1 2 325.330 3.590 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)n1 ZINC000181458041 1139907863 /nfs/dbraw/zinc/90/78/63/1139907863.db2.gz FTSHWZWOQQZFQQ-LBPRGKRZSA-N 1 2 335.835 3.990 20 0 EHADLO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3cccnc3)nc(N)c2c1C ZINC000181668230 1139923537 /nfs/dbraw/zinc/92/35/37/1139923537.db2.gz QERUEUOGXGQULK-GHMZBOCLSA-N 1 2 327.457 3.697 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(S(C)(=O)=O)cc1 ZINC000182955863 1140003124 /nfs/dbraw/zinc/00/31/24/1140003124.db2.gz LYGSFRLTLZIHCA-CQSZACIVSA-N 1 2 344.480 3.646 20 0 EHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(S(C)(=O)=O)cc1 ZINC000182955863 1140003131 /nfs/dbraw/zinc/00/31/31/1140003131.db2.gz LYGSFRLTLZIHCA-CQSZACIVSA-N 1 2 344.480 3.646 20 0 EHADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000183022446 1140007924 /nfs/dbraw/zinc/00/79/24/1140007924.db2.gz PDJMTCSZYYUWMH-VHSXEESVSA-N 1 2 329.322 3.647 20 0 EHADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000183146908 1140015902 /nfs/dbraw/zinc/01/59/02/1140015902.db2.gz UZWIMCNYBXSAMC-PSLXWICFSA-N 1 2 329.469 3.592 20 0 EHADLO C[NH+](C)[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000183293249 1140028066 /nfs/dbraw/zinc/02/80/66/1140028066.db2.gz NUCPJZGLZWKLPL-ICSRJNTNSA-N 1 2 339.414 3.796 20 0 EHADLO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000183729713 1140055396 /nfs/dbraw/zinc/05/53/96/1140055396.db2.gz WGBXCVWDBPWASB-ZDUSSCGKSA-N 1 2 348.468 3.669 20 0 EHADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)s1 ZINC000183946945 1140068623 /nfs/dbraw/zinc/06/86/23/1140068623.db2.gz LMSAJTFKIVMDOQ-UHFFFAOYSA-N 1 2 337.514 3.902 20 0 EHADLO Cc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c(C)c1 ZINC000184159237 1140084058 /nfs/dbraw/zinc/08/40/58/1140084058.db2.gz ZVUJDAGIWKLYPF-GOSISDBHSA-N 1 2 344.455 3.838 20 0 EHADLO Cc1nnc(C[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000184542799 1140108040 /nfs/dbraw/zinc/10/80/40/1140108040.db2.gz IBRFSLRBLPGOTQ-LLVKDONJSA-N 1 2 328.441 3.969 20 0 EHADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000184548514 1140108745 /nfs/dbraw/zinc/10/87/45/1140108745.db2.gz DLCNBVZVNQKPCW-CYBMUJFWSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccco1 ZINC000184605977 1140111920 /nfs/dbraw/zinc/11/19/20/1140111920.db2.gz LVRHWGCYBPQWRE-LBPRGKRZSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccco1 ZINC000184623757 1140112090 /nfs/dbraw/zinc/11/20/90/1140112090.db2.gz YCFUWQWPLXUCSV-ZDUSSCGKSA-N 1 2 343.210 3.502 20 0 EHADLO COC[C@H]([NH2+]Cc1sccc1Br)c1ccc(C)o1 ZINC000184638307 1140113067 /nfs/dbraw/zinc/11/30/67/1140113067.db2.gz JYGQLVUGIYUDMS-NSHDSACASA-N 1 2 330.247 3.889 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(SC)c2)cs1 ZINC000184672225 1140114250 /nfs/dbraw/zinc/11/42/50/1140114250.db2.gz APFMIXKLIYNVHE-LLVKDONJSA-N 1 2 335.498 3.717 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cs1 ZINC000184678253 1140114576 /nfs/dbraw/zinc/11/45/76/1140114576.db2.gz JWVWLQOICBVJTM-LLVKDONJSA-N 1 2 337.876 3.957 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000184974538 1140128169 /nfs/dbraw/zinc/12/81/69/1140128169.db2.gz GVMXMQGAPUIWTP-RYUDHWBXSA-N 1 2 337.876 3.633 20 0 EHADLO C[C@@H]1CCN(C(=O)c2scnc2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000185125242 1140136846 /nfs/dbraw/zinc/13/68/46/1140136846.db2.gz DDFCBADFDLHDEG-UKRRQHHQSA-N 1 2 344.484 3.721 20 0 EHADLO O=C(CSCc1cccc(Cl)c1)Nc1cccc2[nH+]ccn21 ZINC000357454729 1140145279 /nfs/dbraw/zinc/14/52/79/1140145279.db2.gz PIFAXILROLFYJR-UHFFFAOYSA-N 1 2 331.828 3.860 20 0 EHADLO CCCn1nc(C)c(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1C ZINC000186422761 1140203020 /nfs/dbraw/zinc/20/30/20/1140203020.db2.gz VEZSQKZCRLKSTP-UHFFFAOYSA-N 1 2 334.464 3.503 20 0 EHADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000186754158 1140220510 /nfs/dbraw/zinc/22/05/10/1140220510.db2.gz QAKOMQMDGITKQC-NSHDSACASA-N 1 2 341.242 3.640 20 0 EHADLO COc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000186804883 1140222232 /nfs/dbraw/zinc/22/22/32/1140222232.db2.gz QMWPIUPVKGJWJF-LBPRGKRZSA-N 1 2 336.407 3.988 20 0 EHADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccccc1N(C)C ZINC000186803301 1140222453 /nfs/dbraw/zinc/22/24/53/1140222453.db2.gz QTISVNXCBGSBKR-AWEZNQCLSA-N 1 2 331.460 3.907 20 0 EHADLO c1csc([C@H]2CSCC[N@H+]2CCCOCCc2ccccc2)n1 ZINC000187062863 1140236277 /nfs/dbraw/zinc/23/62/77/1140236277.db2.gz VVFGCPPSYVVLHU-QGZVFWFLSA-N 1 2 348.537 3.882 20 0 EHADLO c1csc([C@H]2CSCC[N@@H+]2CCCOCCc2ccccc2)n1 ZINC000187062863 1140236280 /nfs/dbraw/zinc/23/62/80/1140236280.db2.gz VVFGCPPSYVVLHU-QGZVFWFLSA-N 1 2 348.537 3.882 20 0 EHADLO COc1cc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1F ZINC000187106421 1140238619 /nfs/dbraw/zinc/23/86/19/1140238619.db2.gz ZBMQDLCPQDFFPA-UHFFFAOYSA-N 1 2 347.390 3.519 20 0 EHADLO C[C@@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187312615 1140249461 /nfs/dbraw/zinc/24/94/61/1140249461.db2.gz PVZKZKXILRSAEG-JTQLQIEISA-N 1 2 344.768 3.570 20 0 EHADLO C[C@@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187312615 1140249467 /nfs/dbraw/zinc/24/94/67/1140249467.db2.gz PVZKZKXILRSAEG-JTQLQIEISA-N 1 2 344.768 3.570 20 0 EHADLO CC[C@H](CSC)[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189150404 1140323926 /nfs/dbraw/zinc/32/39/26/1140323926.db2.gz AEQINZJBLALZPR-LLVKDONJSA-N 1 2 327.400 3.588 20 0 EHADLO CC[C@H](CSC)[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189150404 1140323933 /nfs/dbraw/zinc/32/39/33/1140323933.db2.gz AEQINZJBLALZPR-LLVKDONJSA-N 1 2 327.400 3.588 20 0 EHADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000189401596 1140341930 /nfs/dbraw/zinc/34/19/30/1140341930.db2.gz YOVWDFPDKJQBCL-QGZVFWFLSA-N 1 2 337.826 3.659 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C(\C)c1ccc(F)cc1 ZINC000192246531 1140514260 /nfs/dbraw/zinc/51/42/60/1140514260.db2.gz HSYGOPSFZCDPKU-FOCLMDBBSA-N 1 2 343.446 3.927 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccoc2Cl)C[C@@H](C)O1 ZINC000192279259 1140518770 /nfs/dbraw/zinc/51/87/70/1140518770.db2.gz WJTXYQVBZCWPOA-CHWSQXEVSA-N 1 2 348.830 3.795 20 0 EHADLO CC(C)c1cnc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000192388937 1140527745 /nfs/dbraw/zinc/52/77/45/1140527745.db2.gz CXESYBNWVTVYNU-OLZOCXBDSA-N 1 2 333.461 3.578 20 0 EHADLO CC(C)c1cnc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000192398894 1140528747 /nfs/dbraw/zinc/52/87/47/1140528747.db2.gz JQLQLVMNJUBUEY-UHFFFAOYSA-N 1 2 345.472 3.583 20 0 EHADLO OC1(c2ccccc2Cl)CC[NH+](Cc2cccnc2Cl)CC1 ZINC000193133989 1140565414 /nfs/dbraw/zinc/56/54/14/1140565414.db2.gz FYCWADDSZWIRFA-UHFFFAOYSA-N 1 2 337.250 3.872 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000267105871 1140759300 /nfs/dbraw/zinc/75/93/00/1140759300.db2.gz PTZVCPDSNQXPAE-JTQLQIEISA-N 1 2 325.334 3.547 20 0 EHADLO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267184521 1140765706 /nfs/dbraw/zinc/76/57/06/1140765706.db2.gz AGENLTHSBSDGOO-ZDUSSCGKSA-N 1 2 347.846 3.872 20 0 EHADLO CCS[C@H]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000267221563 1140769676 /nfs/dbraw/zinc/76/96/76/1140769676.db2.gz HMECKRWYPROBFT-ROUUACIJSA-N 1 2 343.496 3.726 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000267288567 1140775911 /nfs/dbraw/zinc/77/59/11/1140775911.db2.gz ZAASCNKCHNKTQL-JTQLQIEISA-N 1 2 325.334 3.547 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267298432 1140776352 /nfs/dbraw/zinc/77/63/52/1140776352.db2.gz BZYWABBNVIWPKQ-QAPCUYQASA-N 1 2 342.487 3.669 20 0 EHADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267298432 1140776356 /nfs/dbraw/zinc/77/63/56/1140776356.db2.gz BZYWABBNVIWPKQ-QAPCUYQASA-N 1 2 342.487 3.669 20 0 EHADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267334609 1140780226 /nfs/dbraw/zinc/78/02/26/1140780226.db2.gz JSKDNXPYPHZYKT-SFHVURJKSA-N 1 2 342.487 3.623 20 0 EHADLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267334609 1140780228 /nfs/dbraw/zinc/78/02/28/1140780228.db2.gz JSKDNXPYPHZYKT-SFHVURJKSA-N 1 2 342.487 3.623 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000267425147 1140790546 /nfs/dbraw/zinc/79/05/46/1140790546.db2.gz NBXHHTNWWNLFSO-GFCCVEGCSA-N 1 2 337.407 3.521 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000267425147 1140790549 /nfs/dbraw/zinc/79/05/49/1140790549.db2.gz NBXHHTNWWNLFSO-GFCCVEGCSA-N 1 2 337.407 3.521 20 0 EHADLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267988451 1140861639 /nfs/dbraw/zinc/86/16/39/1140861639.db2.gz PCINKNUOZBNLGF-ZIAGYGMSSA-N 1 2 347.459 3.683 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000268248231 1140909371 /nfs/dbraw/zinc/90/93/71/1140909371.db2.gz TWRVDJZYSAEYEH-KRWDZBQOSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000268248231 1140909375 /nfs/dbraw/zinc/90/93/75/1140909375.db2.gz TWRVDJZYSAEYEH-KRWDZBQOSA-N 1 2 327.465 3.566 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000268344209 1140923622 /nfs/dbraw/zinc/92/36/22/1140923622.db2.gz BJKRDNBXJLKQRH-GJZGRUSLSA-N 1 2 333.432 3.654 20 0 EHADLO CC(C)c1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000268344209 1140923627 /nfs/dbraw/zinc/92/36/27/1140923627.db2.gz BJKRDNBXJLKQRH-GJZGRUSLSA-N 1 2 333.432 3.654 20 0 EHADLO CC(C)COc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268366016 1140927372 /nfs/dbraw/zinc/92/73/72/1140927372.db2.gz IPNPVJZAAOFOAW-VQIMIIECSA-N 1 2 341.455 3.641 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)[nH]1 ZINC000268525697 1140952067 /nfs/dbraw/zinc/95/20/67/1140952067.db2.gz XPTNSINOWUQKQB-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)[nH]1 ZINC000268525697 1140952075 /nfs/dbraw/zinc/95/20/75/1140952075.db2.gz XPTNSINOWUQKQB-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)n1 ZINC000268525697 1140952081 /nfs/dbraw/zinc/95/20/81/1140952081.db2.gz XPTNSINOWUQKQB-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)n1 ZINC000268525697 1140952087 /nfs/dbraw/zinc/95/20/87/1140952087.db2.gz XPTNSINOWUQKQB-CYBMUJFWSA-N 1 2 343.456 3.518 20 0 EHADLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1OC(F)F ZINC000268809336 1140997525 /nfs/dbraw/zinc/99/75/25/1140997525.db2.gz NJTHZKRFKUYAQT-SECBINFHSA-N 1 2 341.358 3.987 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc([S@](C)=O)cc1 ZINC000268959327 1141033935 /nfs/dbraw/zinc/03/39/35/1141033935.db2.gz FGRYEQZZCTZXIB-CLTRCRFRSA-N 1 2 348.415 3.750 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](CCOC)CCc2ccccc2)n1 ZINC000268971019 1141037473 /nfs/dbraw/zinc/03/74/73/1141037473.db2.gz ZXTBQTBBCBLRRL-OAHLLOKOSA-N 1 2 349.500 3.575 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](CCOC)CCc2ccccc2)n1 ZINC000268971019 1141037479 /nfs/dbraw/zinc/03/74/79/1141037479.db2.gz ZXTBQTBBCBLRRL-OAHLLOKOSA-N 1 2 349.500 3.575 20 0 EHADLO CCC(CC)n1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000269322389 1141092860 /nfs/dbraw/zinc/09/28/60/1141092860.db2.gz QKGQYWBZDDYMBG-UHFFFAOYSA-N 1 2 341.390 3.821 20 0 EHADLO Cc1ccncc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000269601291 1141125814 /nfs/dbraw/zinc/12/58/14/1141125814.db2.gz WBHCWBCDFRBDNG-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1ccncc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000269601291 1141125817 /nfs/dbraw/zinc/12/58/17/1141125817.db2.gz WBHCWBCDFRBDNG-KRWDZBQOSA-N 1 2 347.256 3.726 20 0 EHADLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269853916 1141151303 /nfs/dbraw/zinc/15/13/03/1141151303.db2.gz TTWAMLSDWKJRTL-UHFFFAOYSA-N 1 2 341.459 3.504 20 0 EHADLO O=C(Nc1cccnc1-c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269985944 1141165000 /nfs/dbraw/zinc/16/50/00/1141165000.db2.gz PKOXEQIRPRNOSW-UHFFFAOYSA-N 1 2 347.422 3.883 20 0 EHADLO c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SC2CCC2)cc1 ZINC000270057070 1141173917 /nfs/dbraw/zinc/17/39/17/1141173917.db2.gz AKFRXFRBCMQWQL-UHFFFAOYSA-N 1 2 328.485 3.567 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2[C@@H](C)c2ccccc2)c1 ZINC000270124217 1141182579 /nfs/dbraw/zinc/18/25/79/1141182579.db2.gz LCUXGKABOWQJAN-AWEZNQCLSA-N 1 2 340.452 3.892 20 0 EHADLO COc1cc(C)[nH+]c(CSc2nncn2CCc2cccs2)c1 ZINC000270136165 1141183727 /nfs/dbraw/zinc/18/37/27/1141183727.db2.gz PMKPHEFWWVTFJA-UHFFFAOYSA-N 1 2 346.481 3.587 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)c3cn[nH]c3)cs2)cc1 ZINC000270175931 1141188678 /nfs/dbraw/zinc/18/86/78/1141188678.db2.gz IKFYUUZVHKGHLU-ZDUSSCGKSA-N 1 2 328.441 3.604 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC=CCC1 ZINC000270201341 1141191787 /nfs/dbraw/zinc/19/17/87/1141191787.db2.gz DZYSKXNKRHFNNY-INIZCTEOSA-N 1 2 334.423 3.832 20 0 EHADLO C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1C ZINC000270228339 1141194654 /nfs/dbraw/zinc/19/46/54/1141194654.db2.gz HYJKSOKXGSJEJB-GASCZTMLSA-N 1 2 336.439 3.722 20 0 EHADLO COc1ccc2oc(CNc3cc(CSCCO)cc[nH+]3)cc2c1 ZINC000270648109 1141250760 /nfs/dbraw/zinc/25/07/60/1141250760.db2.gz LGAGQNMMOWXCPV-UHFFFAOYSA-N 1 2 344.436 3.674 20 0 EHADLO CCc1cccnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000270923161 1141283128 /nfs/dbraw/zinc/28/31/28/1141283128.db2.gz DEOAKFIIYGXCJY-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO CCc1cccnc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000270923161 1141283131 /nfs/dbraw/zinc/28/31/31/1141283131.db2.gz DEOAKFIIYGXCJY-ZDUSSCGKSA-N 1 2 344.484 3.585 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cnc([C@H]3CCCO3)s2)c(OC)c1 ZINC000271023917 1141295138 /nfs/dbraw/zinc/29/51/38/1141295138.db2.gz VMCLXDKZFIILLR-MRXNPFEDSA-N 1 2 348.468 3.644 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)c(OC)c1 ZINC000271023917 1141295141 /nfs/dbraw/zinc/29/51/41/1141295141.db2.gz VMCLXDKZFIILLR-MRXNPFEDSA-N 1 2 348.468 3.644 20 0 EHADLO COC(=O)c1cc(C[N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)oc1C ZINC000271045560 1141298938 /nfs/dbraw/zinc/29/89/38/1141298938.db2.gz QIUXLJFBUQRWNP-UHFFFAOYSA-N 1 2 347.459 3.575 20 0 EHADLO COC(=O)c1cc(C[N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)oc1C ZINC000271045560 1141298943 /nfs/dbraw/zinc/29/89/43/1141298943.db2.gz QIUXLJFBUQRWNP-UHFFFAOYSA-N 1 2 347.459 3.575 20 0 EHADLO CCCn1nc(C)c(C[N@H+](C)Cc2c(C)nc3sccn23)c1C ZINC000271176156 1141319236 /nfs/dbraw/zinc/31/92/36/1141319236.db2.gz XBDGXHLSINLXTE-UHFFFAOYSA-N 1 2 331.489 3.560 20 0 EHADLO CCCn1nc(C)c(C[N@@H+](C)Cc2c(C)nc3sccn23)c1C ZINC000271176156 1141319242 /nfs/dbraw/zinc/31/92/42/1141319242.db2.gz XBDGXHLSINLXTE-UHFFFAOYSA-N 1 2 331.489 3.560 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)c2ccccc12 ZINC000271215582 1141326877 /nfs/dbraw/zinc/32/68/77/1141326877.db2.gz NAXJOOHWGMZNNU-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)c2ccccc12 ZINC000271215582 1141326882 /nfs/dbraw/zinc/32/68/82/1141326882.db2.gz NAXJOOHWGMZNNU-ZDUSSCGKSA-N 1 2 341.411 3.571 20 0 EHADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271289463 1141339598 /nfs/dbraw/zinc/33/95/98/1141339598.db2.gz FFKPFSAUKKDZIY-IRXDYDNUSA-N 1 2 346.434 3.594 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)[nH]1 ZINC000271441828 1141367948 /nfs/dbraw/zinc/36/79/48/1141367948.db2.gz FGLOOJPJKJPSSW-UWVGGRQHSA-N 1 2 328.338 3.678 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000271571962 1141400456 /nfs/dbraw/zinc/40/04/56/1141400456.db2.gz YYCTZZWFTNXEJR-QMTHXVAHSA-N 1 2 335.835 3.809 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000271571962 1141400460 /nfs/dbraw/zinc/40/04/60/1141400460.db2.gz YYCTZZWFTNXEJR-QMTHXVAHSA-N 1 2 335.835 3.809 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000271571954 1141400578 /nfs/dbraw/zinc/40/05/78/1141400578.db2.gz YYCTZZWFTNXEJR-HZMBPMFUSA-N 1 2 335.835 3.809 20 0 EHADLO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000271571954 1141400580 /nfs/dbraw/zinc/40/05/80/1141400580.db2.gz YYCTZZWFTNXEJR-HZMBPMFUSA-N 1 2 335.835 3.809 20 0 EHADLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000271612449 1141407210 /nfs/dbraw/zinc/40/72/10/1141407210.db2.gz CNSKUJGPPCCJSP-LBPRGKRZSA-N 1 2 332.835 3.713 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nc2ccc(Cl)cc2n1C ZINC000271697344 1141420454 /nfs/dbraw/zinc/42/04/54/1141420454.db2.gz LCXNWLQYWPMTDA-IINYFYTJSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1nc2ccc(Cl)cc2n1C ZINC000271697344 1141420456 /nfs/dbraw/zinc/42/04/56/1141420456.db2.gz LCXNWLQYWPMTDA-IINYFYTJSA-N 1 2 329.835 3.678 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cnc([C@@H]2CCCO2)s1 ZINC000273885764 1141439940 /nfs/dbraw/zinc/43/99/40/1141439940.db2.gz BPDPYAZEBNBVFT-HNNXBMFYSA-N 1 2 328.441 3.976 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc2ccsc21 ZINC000274260668 1141490538 /nfs/dbraw/zinc/49/05/38/1141490538.db2.gz BXWGEBMZFIRJKH-UHFFFAOYSA-N 1 2 337.448 3.827 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)ccc2[nH+]1 ZINC000339116520 1141501711 /nfs/dbraw/zinc/50/17/11/1141501711.db2.gz OCNJWFVTLQHIGU-UHFFFAOYSA-N 1 2 335.407 3.861 20 0 EHADLO C[S@](=O)C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000274362073 1141503999 /nfs/dbraw/zinc/50/39/99/1141503999.db2.gz ZZGRNSLOEMZAHO-QKKBWIMNSA-N 1 2 343.279 3.598 20 0 EHADLO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](C)O)c(Br)c1 ZINC000339154648 1141512619 /nfs/dbraw/zinc/51/26/19/1141512619.db2.gz AHBRJKBQZOJOSZ-CYBMUJFWSA-N 1 2 338.245 3.734 20 0 EHADLO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](C)O)c(Br)c1 ZINC000339154648 1141512625 /nfs/dbraw/zinc/51/26/25/1141512625.db2.gz AHBRJKBQZOJOSZ-CYBMUJFWSA-N 1 2 338.245 3.734 20 0 EHADLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(C(C)C)nc1C)C2 ZINC000339173867 1141518045 /nfs/dbraw/zinc/51/80/45/1141518045.db2.gz KBPKBQHRPHQOGF-UHFFFAOYSA-N 1 2 326.440 3.917 20 0 EHADLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(C(C)C)nc1C)C2 ZINC000339173867 1141518047 /nfs/dbraw/zinc/51/80/47/1141518047.db2.gz KBPKBQHRPHQOGF-UHFFFAOYSA-N 1 2 326.440 3.917 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553145 1141550529 /nfs/dbraw/zinc/55/05/29/1141550529.db2.gz NQKPWUOVKNVPDG-FXAWDEMLSA-N 1 2 339.483 3.868 20 0 EHADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1)c1ccccc1 ZINC000348553145 1141550533 /nfs/dbraw/zinc/55/05/33/1141550533.db2.gz NQKPWUOVKNVPDG-FXAWDEMLSA-N 1 2 339.483 3.868 20 0 EHADLO O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283135445 1141558868 /nfs/dbraw/zinc/55/88/68/1141558868.db2.gz IWDDOIIXPSQQAL-CQSZACIVSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc2sccc2c1 ZINC000348667363 1141563967 /nfs/dbraw/zinc/56/39/67/1141563967.db2.gz PCZRZMVKLDBCJN-UHFFFAOYSA-N 1 2 337.448 3.695 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)s2)ccn1 ZINC000348755600 1141575607 /nfs/dbraw/zinc/57/56/07/1141575607.db2.gz NCABWBKFCZYCGF-IUCAKERBSA-N 1 2 342.262 3.721 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](c2ccccc2)C1 ZINC000348879982 1141603188 /nfs/dbraw/zinc/60/31/88/1141603188.db2.gz MURZEFNPARUBQD-IBGZPJMESA-N 1 2 331.419 3.892 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000072100364 216008857 /nfs/dbraw/zinc/00/88/57/216008857.db2.gz DUYQYEDOWYCQBB-FMIVXFBMSA-N 1 2 348.490 3.822 20 0 EHADLO c1cn(-c2ccc(CNc3ncnc4c5ccccc5oc43)cn2)c[nH+]1 ZINC000025006228 212454452 /nfs/dbraw/zinc/45/44/52/212454452.db2.gz BCSJODIGZDVWFU-UHFFFAOYSA-N 1 2 342.362 3.569 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c(C)[nH+]1 ZINC000097263059 219006858 /nfs/dbraw/zinc/00/68/58/219006858.db2.gz CAKYEFROCWWLMB-GTNSWQLSSA-N 1 2 337.423 3.854 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(OC)c2)n1 ZINC000282129156 564146126 /nfs/dbraw/zinc/14/61/26/564146126.db2.gz JZLGNUWLSQHKHA-QUCCMNQESA-N 1 2 343.471 3.561 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(OC)c2)n1 ZINC000282129156 564146127 /nfs/dbraw/zinc/14/61/27/564146127.db2.gz JZLGNUWLSQHKHA-QUCCMNQESA-N 1 2 343.471 3.561 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1c(F)cccc1Cl ZINC000824619698 608553239 /nfs/dbraw/zinc/55/32/39/608553239.db2.gz ZFDZWTLWPQPCPP-VIFPVBQESA-N 1 2 349.772 3.649 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000649752591 1125475622 /nfs/dbraw/zinc/47/56/22/1125475622.db2.gz MKNABJVTNIRAAM-OALUTQOASA-N 1 2 342.483 3.592 20 0 EHADLO CC[N@H+](Cc1noc(-c2c(F)cccc2Cl)n1)[C@@H]1CCCOC1 ZINC000649754236 1125477348 /nfs/dbraw/zinc/47/73/48/1125477348.db2.gz HIICUIGBUKCSLI-LLVKDONJSA-N 1 2 339.798 3.530 20 0 EHADLO CC[N@@H+](Cc1noc(-c2c(F)cccc2Cl)n1)[C@@H]1CCCOC1 ZINC000649754236 1125477350 /nfs/dbraw/zinc/47/73/50/1125477350.db2.gz HIICUIGBUKCSLI-LLVKDONJSA-N 1 2 339.798 3.530 20 0 EHADLO CC[N@H+](CC(=O)N1Cc2ccccc2C1)Cc1ccccc1Cl ZINC000339267375 1014133976 /nfs/dbraw/zinc/13/39/76/1014133976.db2.gz COTMBYUFANWRCR-UHFFFAOYSA-N 1 2 328.843 3.704 20 0 EHADLO CC[N@@H+](CC(=O)N1Cc2ccccc2C1)Cc1ccccc1Cl ZINC000339267375 1014133985 /nfs/dbraw/zinc/13/39/85/1014133985.db2.gz COTMBYUFANWRCR-UHFFFAOYSA-N 1 2 328.843 3.704 20 0 EHADLO Cc1cn2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2[nH+]1 ZINC000339270918 1014136967 /nfs/dbraw/zinc/13/69/67/1014136967.db2.gz OCIYQNVOZBAELU-UHFFFAOYSA-N 1 2 334.301 3.617 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)[C@H](C)CO1 ZINC000274511138 1014162355 /nfs/dbraw/zinc/16/23/55/1014162355.db2.gz VJIWDSJRCVEZEF-CJNGLKHVSA-N 1 2 335.398 3.628 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)[C@H](C)CO1 ZINC000274511138 1014162359 /nfs/dbraw/zinc/16/23/59/1014162359.db2.gz VJIWDSJRCVEZEF-CJNGLKHVSA-N 1 2 335.398 3.628 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NC(C)(C)C)cc3)n2c1 ZINC000278709543 1032085326 /nfs/dbraw/zinc/08/53/26/1032085326.db2.gz OLGWCPDKQDIWSF-UHFFFAOYSA-N 1 2 336.439 3.783 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)NCc3ccccc3OC3CCCC3)ccn12 ZINC001125266553 1014176064 /nfs/dbraw/zinc/17/60/64/1014176064.db2.gz FKSLAZHPOKREQH-UHFFFAOYSA-N 1 2 349.434 3.894 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1 ZINC000274580860 1014276985 /nfs/dbraw/zinc/27/69/85/1014276985.db2.gz ISXYPDIZDBAICN-UWVGGRQHSA-N 1 2 343.374 3.840 20 0 EHADLO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000274631459 1014374743 /nfs/dbraw/zinc/37/47/43/1014374743.db2.gz CCUDLBZGUHAOLZ-UHFFFAOYSA-N 1 2 349.837 3.886 20 0 EHADLO Clc1cc(Br)cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683140966 1014486685 /nfs/dbraw/zinc/48/66/85/1014486685.db2.gz FRHFECDYULFOAN-LLVKDONJSA-N 1 2 341.640 3.536 20 0 EHADLO C(=C/C1CCCC1)\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497413 1032094966 /nfs/dbraw/zinc/09/49/66/1032094966.db2.gz MCBUOUKGHXMCIX-CMDGGOBGSA-N 1 2 339.439 3.772 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000654894220 1014564372 /nfs/dbraw/zinc/56/43/72/1014564372.db2.gz LCVIMPMBEFNQEF-JTQLQIEISA-N 1 2 338.238 3.701 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000654894220 1014564379 /nfs/dbraw/zinc/56/43/79/1014564379.db2.gz LCVIMPMBEFNQEF-JTQLQIEISA-N 1 2 338.238 3.701 20 0 EHADLO Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cn1 ZINC000339489548 1014576528 /nfs/dbraw/zinc/57/65/28/1014576528.db2.gz GSQHVYOVQRMJHO-UHFFFAOYSA-N 1 2 348.237 3.567 20 0 EHADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000449023545 1032099329 /nfs/dbraw/zinc/09/93/29/1032099329.db2.gz RUNHHSNOGONXGT-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000449023545 1032099342 /nfs/dbraw/zinc/09/93/42/1032099342.db2.gz RUNHHSNOGONXGT-HXUWFJFHSA-N 1 2 327.424 3.586 20 0 EHADLO CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902382916 980865031 /nfs/dbraw/zinc/86/50/31/980865031.db2.gz UXYIBVKUPCVNDF-UHFFFAOYSA-N 1 2 344.455 3.712 20 0 EHADLO CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902382916 980865034 /nfs/dbraw/zinc/86/50/34/980865034.db2.gz UXYIBVKUPCVNDF-UHFFFAOYSA-N 1 2 344.455 3.712 20 0 EHADLO NC(=O)C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000339531948 1014720795 /nfs/dbraw/zinc/72/07/95/1014720795.db2.gz OVEILVYYMNBTIF-AWEZNQCLSA-N 1 2 343.477 3.578 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C(F)F)o1 ZINC001125288516 1014827356 /nfs/dbraw/zinc/82/73/56/1014827356.db2.gz NFZMQWATFLXHKT-UHFFFAOYSA-N 1 2 347.321 3.745 20 0 EHADLO COCc1cc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)no1 ZINC000459422329 1032104230 /nfs/dbraw/zinc/10/42/30/1032104230.db2.gz XTCNQLZTCITGGA-CQSZACIVSA-N 1 2 327.211 3.905 20 0 EHADLO CC[C@@H]1CCCCC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182500134 1032104540 /nfs/dbraw/zinc/10/45/40/1032104540.db2.gz DOUAUAKOGFMJLS-OAHLLOKOSA-N 1 2 344.484 3.945 20 0 EHADLO CC[C@@H]1CCCCC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182500134 1032104549 /nfs/dbraw/zinc/10/45/49/1032104549.db2.gz DOUAUAKOGFMJLS-OAHLLOKOSA-N 1 2 344.484 3.945 20 0 EHADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149075 1125485960 /nfs/dbraw/zinc/48/59/60/1125485960.db2.gz WVRKAZQBLPFQOO-GJZGRUSLSA-N 1 2 338.879 3.785 20 0 EHADLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000620149075 1125485961 /nfs/dbraw/zinc/48/59/61/1125485961.db2.gz WVRKAZQBLPFQOO-GJZGRUSLSA-N 1 2 338.879 3.785 20 0 EHADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634580488 1015010290 /nfs/dbraw/zinc/01/02/90/1015010290.db2.gz FYUIRVHHILAKAG-DYVFJYSZSA-N 1 2 348.393 3.770 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000157595828 1015117791 /nfs/dbraw/zinc/11/77/91/1015117791.db2.gz BMXXQLMTNMAJNN-HNNXBMFYSA-N 1 2 342.414 3.787 20 0 EHADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000157595828 1015117800 /nfs/dbraw/zinc/11/78/00/1015117800.db2.gz BMXXQLMTNMAJNN-HNNXBMFYSA-N 1 2 342.414 3.787 20 0 EHADLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1OC ZINC000179427447 1015384477 /nfs/dbraw/zinc/38/44/77/1015384477.db2.gz SLUNLRAMXYNKEC-HXUWFJFHSA-N 1 2 345.414 3.807 20 0 EHADLO CCOc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1OC ZINC000179427447 1015384486 /nfs/dbraw/zinc/38/44/86/1015384486.db2.gz SLUNLRAMXYNKEC-HXUWFJFHSA-N 1 2 345.414 3.807 20 0 EHADLO Cc1cn2cc(NC(=O)NCCC3Cc4ccccc4C3)ccc2[nH+]1 ZINC000339625683 1015414880 /nfs/dbraw/zinc/41/48/80/1015414880.db2.gz AAOZKKHVXXUURC-UHFFFAOYSA-N 1 2 334.423 3.569 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000339792013 1015676223 /nfs/dbraw/zinc/67/62/23/1015676223.db2.gz NQTFCRRZUDQMTI-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339792013 1015676220 /nfs/dbraw/zinc/67/62/20/1015676220.db2.gz NQTFCRRZUDQMTI-INIZCTEOSA-N 1 2 340.442 3.621 20 0 EHADLO CC[N@H+](CC(=O)N1CCCC[C@@H]1C(F)F)Cc1ccccc1Cl ZINC000510151209 1015813357 /nfs/dbraw/zinc/81/33/57/1015813357.db2.gz PLXYLOAZDHWAFQ-OAHLLOKOSA-N 1 2 344.833 3.808 20 0 EHADLO CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(F)F)Cc1ccccc1Cl ZINC000510151209 1015813367 /nfs/dbraw/zinc/81/33/67/1015813367.db2.gz PLXYLOAZDHWAFQ-OAHLLOKOSA-N 1 2 344.833 3.808 20 0 EHADLO CC(C)c1ccoc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000339885450 1015815031 /nfs/dbraw/zinc/81/50/31/1015815031.db2.gz UCPIUTOKGBJBFG-UHFFFAOYSA-N 1 2 337.423 3.620 20 0 EHADLO CCOc1ccccc1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514766 1016142821 /nfs/dbraw/zinc/14/28/21/1016142821.db2.gz ZREOWBNEVVMIMI-UHFFFAOYSA-N 1 2 335.407 3.842 20 0 EHADLO C[C@@H](c1cccc(NC(=O)c2ccc(F)s2)c1)[NH+]1CCOCC1 ZINC000668269420 1016170017 /nfs/dbraw/zinc/17/00/17/1016170017.db2.gz KOUGVDHXEUPMNH-LBPRGKRZSA-N 1 2 334.416 3.533 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(Br)cn1)C2 ZINC000536682697 1032145665 /nfs/dbraw/zinc/14/56/65/1032145665.db2.gz CFZJYULKLXDNOO-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(Br)cn1)C2 ZINC000536682697 1032145674 /nfs/dbraw/zinc/14/56/74/1032145674.db2.gz CFZJYULKLXDNOO-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2[nH]c(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000683358443 1016340606 /nfs/dbraw/zinc/34/06/06/1016340606.db2.gz SGKFHOXRYSCVRK-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO CC1=C[C@H](C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000430368416 1016500000 /nfs/dbraw/zinc/50/00/00/1016500000.db2.gz XGCDSSBRMOIHHB-ZDUSSCGKSA-N 1 2 334.489 3.559 20 0 EHADLO c1csc([C@@H]([NH2+]CCCn2ccc3ccccc32)c2nnc[nH]2)c1 ZINC000340179280 1016608112 /nfs/dbraw/zinc/60/81/12/1016608112.db2.gz YHSIWJQOSGWKAV-QGZVFWFLSA-N 1 2 337.452 3.590 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185686 1016644720 /nfs/dbraw/zinc/64/47/20/1016644720.db2.gz OVXAOJYZPXYPDF-LAUBAEHRSA-N 1 2 333.435 3.834 20 0 EHADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000340185686 1016644729 /nfs/dbraw/zinc/64/47/29/1016644729.db2.gz OVXAOJYZPXYPDF-LAUBAEHRSA-N 1 2 333.435 3.834 20 0 EHADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1OC ZINC000340188530 1016646962 /nfs/dbraw/zinc/64/69/62/1016646962.db2.gz LOQBESZIFPFHEV-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1OC ZINC000340188530 1016646969 /nfs/dbraw/zinc/64/69/69/1016646969.db2.gz LOQBESZIFPFHEV-FQEVSTJZSA-N 1 2 345.414 3.725 20 0 EHADLO O[C@H]([C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201997 1016690490 /nfs/dbraw/zinc/69/04/90/1016690490.db2.gz JJXZJJPNRJWACM-CZUORRHYSA-N 1 2 340.345 3.619 20 0 EHADLO O[C@H]([C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)C(F)(F)F ZINC000340201997 1016690499 /nfs/dbraw/zinc/69/04/99/1016690499.db2.gz JJXZJJPNRJWACM-CZUORRHYSA-N 1 2 340.345 3.619 20 0 EHADLO CCc1ccc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425185700 1016724408 /nfs/dbraw/zinc/72/44/08/1016724408.db2.gz HHSGAZGNCWOQMI-FQEVSTJZSA-N 1 2 347.462 3.853 20 0 EHADLO C[N@H+](Cc1csc(Br)c1)Cc1ccc(Cl)nn1 ZINC000167237100 1016734683 /nfs/dbraw/zinc/73/46/83/1016734683.db2.gz REAULDMMJJYPLQ-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(Cl)nn1 ZINC000167237100 1016734689 /nfs/dbraw/zinc/73/46/89/1016734689.db2.gz REAULDMMJJYPLQ-UHFFFAOYSA-N 1 2 332.654 3.586 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(Cl)ccc2O)c1 ZINC000340238796 1016761888 /nfs/dbraw/zinc/76/18/88/1016761888.db2.gz NECULLVXWXTVIN-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO Cc1cccc2[nH]cc(CC[NH2+][C@H](c3nnc[nH]3)c3ccc(F)cc3)c21 ZINC000340240420 1016766248 /nfs/dbraw/zinc/76/62/48/1016766248.db2.gz OSZZEUTUQAAHIV-IBGZPJMESA-N 1 2 349.413 3.655 20 0 EHADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001204477735 1016783507 /nfs/dbraw/zinc/78/35/07/1016783507.db2.gz OHXKJWIGJWTACO-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001204477735 1016783522 /nfs/dbraw/zinc/78/35/22/1016783522.db2.gz OHXKJWIGJWTACO-UHFFFAOYSA-N 1 2 326.293 3.503 20 0 EHADLO Cc1ccc(C[S@](=O)[C@@H](C)c2nccn2-c2ccccc2)c(C)[nH+]1 ZINC000376613044 1016919330 /nfs/dbraw/zinc/91/93/30/1016919330.db2.gz WZXAKRMVTPAVKA-FYSMJZIKSA-N 1 2 339.464 3.894 20 0 EHADLO CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121191272 1016928282 /nfs/dbraw/zinc/92/82/82/1016928282.db2.gz WEZLLFZUAKJXCW-RDJZCZTQSA-N 1 2 343.471 3.975 20 0 EHADLO CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121191272 1016928291 /nfs/dbraw/zinc/92/82/91/1016928291.db2.gz WEZLLFZUAKJXCW-RDJZCZTQSA-N 1 2 343.471 3.975 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278809166 1016943702 /nfs/dbraw/zinc/94/37/02/1016943702.db2.gz XFCALKSVYVQGPU-VXGBXAGGSA-N 1 2 335.860 3.634 20 0 EHADLO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547833476 1016998419 /nfs/dbraw/zinc/99/84/19/1016998419.db2.gz QIWXNUGRRZHZLE-GUYCJALGSA-N 1 2 347.846 3.671 20 0 EHADLO CC(C)(C)OC1CC(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000340370715 1017051383 /nfs/dbraw/zinc/05/13/83/1017051383.db2.gz OEPOSQOFUTVGRW-IMRCBTMISA-N 1 2 346.450 3.607 20 0 EHADLO CCCOc1c(C[N@H+](C)Cc2cccc(=O)[nH]2)cccc1OCC ZINC000897393036 1032155338 /nfs/dbraw/zinc/15/53/38/1032155338.db2.gz YEHVHURPBABOOH-UHFFFAOYSA-N 1 2 330.428 3.607 20 0 EHADLO CCCOc1c(C[N@@H+](C)Cc2cccc(=O)[nH]2)cccc1OCC ZINC000897393036 1032155344 /nfs/dbraw/zinc/15/53/44/1032155344.db2.gz YEHVHURPBABOOH-UHFFFAOYSA-N 1 2 330.428 3.607 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000278732958 1032169137 /nfs/dbraw/zinc/16/91/37/1032169137.db2.gz JGKYIEMQDACCNL-MRVPVSSYSA-N 1 2 329.730 3.849 20 0 EHADLO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000278733697 1032171517 /nfs/dbraw/zinc/17/15/17/1032171517.db2.gz LZDZKVUPEPCKQE-VIFPVBQESA-N 1 2 332.395 3.964 20 0 EHADLO OC[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000183764578 1032204109 /nfs/dbraw/zinc/20/41/09/1032204109.db2.gz WQIWYZOPMOYKSM-LJQANCHMSA-N 1 2 338.476 3.752 20 0 EHADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(O)c1 ZINC000080923069 1032207085 /nfs/dbraw/zinc/20/70/85/1032207085.db2.gz ZRZOJQXBEREXAD-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(O)c1 ZINC000080923069 1032207099 /nfs/dbraw/zinc/20/70/99/1032207099.db2.gz ZRZOJQXBEREXAD-UHFFFAOYSA-N 1 2 339.222 3.770 20 0 EHADLO COCc1cc(C[N@H+](C)Cc2ccc(Br)cc2C)no1 ZINC000459506617 1032209848 /nfs/dbraw/zinc/20/98/48/1032209848.db2.gz LACTUIUDTVKXAY-UHFFFAOYSA-N 1 2 339.233 3.524 20 0 EHADLO COCc1cc(C[N@@H+](C)Cc2ccc(Br)cc2C)no1 ZINC000459506617 1032209865 /nfs/dbraw/zinc/20/98/65/1032209865.db2.gz LACTUIUDTVKXAY-UHFFFAOYSA-N 1 2 339.233 3.524 20 0 EHADLO CC[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCC(C)CC1 ZINC000461023211 1032214131 /nfs/dbraw/zinc/21/41/31/1032214131.db2.gz KFBAJTONBFGZNA-FOIPXRHGSA-N 1 2 329.488 3.629 20 0 EHADLO CCc1oc2ccccc2c1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528391621 1032216600 /nfs/dbraw/zinc/21/66/00/1032216600.db2.gz ARFHEHYJHWDBAL-AWEZNQCLSA-N 1 2 337.423 3.667 20 0 EHADLO O=C(c1ccsc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528396332 1032220005 /nfs/dbraw/zinc/22/00/05/1032220005.db2.gz NSHWNTSDMQTRFX-VIFPVBQESA-N 1 2 329.347 3.510 20 0 EHADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528411283 1032250603 /nfs/dbraw/zinc/25/06/03/1032250603.db2.gz WUSSLPZBKDOWQL-MAUKXSAKSA-N 1 2 330.447 3.611 20 0 EHADLO CC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000586271033 1032267804 /nfs/dbraw/zinc/26/78/04/1032267804.db2.gz JOPWOCOSLZABTA-GOSISDBHSA-N 1 2 344.503 3.709 20 0 EHADLO FC(F)(F)c1ncccc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000528428644 1032264617 /nfs/dbraw/zinc/26/46/17/1032264617.db2.gz NOPPQYWBZSYNKX-UHFFFAOYSA-N 1 2 336.361 3.572 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC23CC3)c1)[NH+]1CCOCC1 ZINC000528421949 1032273391 /nfs/dbraw/zinc/27/33/91/1032273391.db2.gz HAEDIJCCJZWHOA-YJBOKZPZSA-N 1 2 328.456 3.599 20 0 EHADLO Oc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1Br ZINC000459559679 1032278678 /nfs/dbraw/zinc/27/86/78/1032278678.db2.gz PFOBOEPNHIAHHU-UHFFFAOYSA-N 1 2 336.204 3.893 20 0 EHADLO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ncccc1Cl ZINC000528424564 1032281369 /nfs/dbraw/zinc/28/13/69/1032281369.db2.gz KKJHUKQJXLYAEH-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ncccc1Cl ZINC000528424564 1032281382 /nfs/dbraw/zinc/28/13/82/1032281382.db2.gz KKJHUKQJXLYAEH-UHFFFAOYSA-N 1 2 325.239 3.773 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000081233197 1032287409 /nfs/dbraw/zinc/28/74/09/1032287409.db2.gz MVUFBTUHISLWTR-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO OCCC1C[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000459588832 1032289870 /nfs/dbraw/zinc/28/98/70/1032289870.db2.gz GVXIXFUZIBFYLP-UHFFFAOYSA-N 1 2 342.386 3.643 20 0 EHADLO Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000184503769 1032307082 /nfs/dbraw/zinc/30/70/82/1032307082.db2.gz ORDMOFHRVOZQGT-CQSZACIVSA-N 1 2 338.436 3.516 20 0 EHADLO CCc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)n1 ZINC000449205760 1032309941 /nfs/dbraw/zinc/30/99/41/1032309941.db2.gz MAEGSFNMDVZHEC-UHFFFAOYSA-N 1 2 344.484 3.585 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000184620380 1032310161 /nfs/dbraw/zinc/31/01/61/1032310161.db2.gz PYBLRWDNKVCGHV-MRXNPFEDSA-N 1 2 345.512 3.809 20 0 EHADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000081487282 1032313345 /nfs/dbraw/zinc/31/33/45/1032313345.db2.gz UUSIVUCGAJGSBG-GFCCVEGCSA-N 1 2 338.814 3.516 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1c[nH+]c(C)cc1C)CC3 ZINC000653270693 1032320566 /nfs/dbraw/zinc/32/05/66/1032320566.db2.gz NXUUHRCWVNPUFV-UHFFFAOYSA-N 1 2 348.450 3.756 20 0 EHADLO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000184870308 1032328535 /nfs/dbraw/zinc/32/85/35/1032328535.db2.gz MOFBZEZELCLHIJ-CVEARBPZSA-N 1 2 349.434 3.870 20 0 EHADLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000081573702 1032333291 /nfs/dbraw/zinc/33/32/91/1032333291.db2.gz IKEZDTVBZJWQTO-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000081573702 1032333299 /nfs/dbraw/zinc/33/32/99/1032333299.db2.gz IKEZDTVBZJWQTO-BEFAXECRSA-N 1 2 347.455 3.683 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000185334699 1032379868 /nfs/dbraw/zinc/37/98/68/1032379868.db2.gz YCHLKGIMEMZMNO-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000185334699 1032379882 /nfs/dbraw/zinc/37/98/82/1032379882.db2.gz YCHLKGIMEMZMNO-LLVKDONJSA-N 1 2 331.322 3.597 20 0 EHADLO COC[C@]1(C)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528516001 1032392672 /nfs/dbraw/zinc/39/26/72/1032392672.db2.gz ITMYIBOQUHEKAU-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@]1(C)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528516001 1032392678 /nfs/dbraw/zinc/39/26/78/1032392678.db2.gz ITMYIBOQUHEKAU-CQSZACIVSA-N 1 2 334.204 3.586 20 0 EHADLO CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccoc1 ZINC000102519589 1032426700 /nfs/dbraw/zinc/42/67/00/1032426700.db2.gz CGGPDMHFOBWIBV-UHFFFAOYSA-N 1 2 338.407 3.928 20 0 EHADLO CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccoc1 ZINC000102519589 1032426710 /nfs/dbraw/zinc/42/67/10/1032426710.db2.gz CGGPDMHFOBWIBV-UHFFFAOYSA-N 1 2 338.407 3.928 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449307098 1032427174 /nfs/dbraw/zinc/42/71/74/1032427174.db2.gz OACIRCDEUIZUPT-UHFFFAOYSA-N 1 2 345.447 3.586 20 0 EHADLO CC(C)COc1ccccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000449290610 1032433167 /nfs/dbraw/zinc/43/31/67/1032433167.db2.gz XTQUAKSTLGKKBZ-UHFFFAOYSA-N 1 2 336.439 3.592 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278760406 1032434062 /nfs/dbraw/zinc/43/40/62/1032434062.db2.gz MPOCNTCOBMOCJS-VHSXEESVSA-N 1 2 336.304 3.566 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278760406 1032434068 /nfs/dbraw/zinc/43/40/68/1032434068.db2.gz MPOCNTCOBMOCJS-VHSXEESVSA-N 1 2 336.304 3.566 20 0 EHADLO COc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1SC ZINC000459752373 1032446637 /nfs/dbraw/zinc/44/66/37/1032446637.db2.gz FVITTYJFRFKNOV-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO COc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1SC ZINC000459752373 1032446639 /nfs/dbraw/zinc/44/66/39/1032446639.db2.gz FVITTYJFRFKNOV-UHFFFAOYSA-N 1 2 346.456 3.552 20 0 EHADLO Cc1ccc(/C=C/CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000084765776 1032450901 /nfs/dbraw/zinc/45/09/01/1032450901.db2.gz MUOWUJLUYNVFNV-ONEGZZNKSA-N 1 2 331.419 3.900 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000086234251 1032482188 /nfs/dbraw/zinc/48/21/88/1032482188.db2.gz ZAVJSJBEOLAUDK-HILYYZTDSA-N 1 2 342.483 3.890 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000086234251 1032482191 /nfs/dbraw/zinc/48/21/91/1032482191.db2.gz ZAVJSJBEOLAUDK-HILYYZTDSA-N 1 2 342.483 3.890 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)c1ccccc1Cl)C2 ZINC000528599502 1032482939 /nfs/dbraw/zinc/48/29/39/1032482939.db2.gz ZKTNBOLBKAOYOZ-KRWDZBQOSA-N 1 2 345.874 3.519 20 0 EHADLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)c1ccccc1Cl)C2 ZINC000528599502 1032482945 /nfs/dbraw/zinc/48/29/45/1032482945.db2.gz ZKTNBOLBKAOYOZ-KRWDZBQOSA-N 1 2 345.874 3.519 20 0 EHADLO CC[C@@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(F)F ZINC000449365464 1032479051 /nfs/dbraw/zinc/47/90/51/1032479051.db2.gz WDIJIMOLPNAHCI-LLVKDONJSA-N 1 2 332.192 3.539 20 0 EHADLO c1csc(-c2cnc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000537128578 1032528627 /nfs/dbraw/zinc/52/86/27/1032528627.db2.gz LTNIRIGRTQGJBK-UHFFFAOYSA-N 1 2 340.404 3.911 20 0 EHADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)s2)c2ccccc2O1 ZINC000449423238 1032537973 /nfs/dbraw/zinc/53/79/73/1032537973.db2.gz HFOKWUGWTLEUAT-MWLCHTKSSA-N 1 2 339.258 3.908 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1F ZINC000537159298 1032540898 /nfs/dbraw/zinc/54/08/98/1032540898.db2.gz MKDMAPKYTCUWQY-LBPRGKRZSA-N 1 2 334.366 3.571 20 0 EHADLO Fc1ccccc1-c1noc(C[NH2+][C@H](c2ccccn2)C2CCC2)n1 ZINC000528661004 1032547150 /nfs/dbraw/zinc/54/71/50/1032547150.db2.gz SDIKSKUIMFEGOK-SFHVURJKSA-N 1 2 338.386 3.902 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC000537171643 1032547367 /nfs/dbraw/zinc/54/73/67/1032547367.db2.gz SRLVLYNATMAIPF-CYBMUJFWSA-N 1 2 346.368 3.764 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000449431904 1032549342 /nfs/dbraw/zinc/54/93/42/1032549342.db2.gz ZPMRJGUSOHRUAY-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000449431904 1032549346 /nfs/dbraw/zinc/54/93/46/1032549346.db2.gz ZPMRJGUSOHRUAY-AEFFLSMTSA-N 1 2 337.797 3.779 20 0 EHADLO C[C@@]12C[N@H+](Cc3ncc(Br)s3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449451213 1032568143 /nfs/dbraw/zinc/56/81/43/1032568143.db2.gz QHXASNOLKILXLL-DEKYYXRVSA-N 1 2 325.275 3.550 20 0 EHADLO C[C@@]12C[N@@H+](Cc3ncc(Br)s3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449451213 1032568151 /nfs/dbraw/zinc/56/81/51/1032568151.db2.gz QHXASNOLKILXLL-DEKYYXRVSA-N 1 2 325.275 3.550 20 0 EHADLO CC(C)c1cc(N2CC[C@@H](Cc3cnn(C)c3)C2)nc(C(C)C)[nH+]1 ZINC000090103302 1032572521 /nfs/dbraw/zinc/57/25/21/1032572521.db2.gz UCCYUSVNYPMQFR-HNNXBMFYSA-N 1 2 327.476 3.526 20 0 EHADLO CCc1nc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cs1 ZINC000449437339 1032580925 /nfs/dbraw/zinc/58/09/25/1032580925.db2.gz LWIPCOXSOMPWIA-AWEZNQCLSA-N 1 2 344.402 3.938 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncccc1F)c1cccc(C(F)(F)F)c1 ZINC000090720537 1032592081 /nfs/dbraw/zinc/59/20/81/1032592081.db2.gz YEZHEZNEBUDZHS-OAHLLOKOSA-N 1 2 328.309 3.717 20 0 EHADLO CC(C)c1cc(N[C@@H](CO)C[C@@H](O)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000761235067 1032622171 /nfs/dbraw/zinc/62/21/71/1032622171.db2.gz ONSYCVSFZVUSKL-SJLPKXTDSA-N 1 2 343.471 3.620 20 0 EHADLO O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000602131670 1032663497 /nfs/dbraw/zinc/66/34/97/1032663497.db2.gz ULGHOZKIEUPODJ-NSHDSACASA-N 1 2 344.465 3.615 20 0 EHADLO C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000606413342 1032665029 /nfs/dbraw/zinc/66/50/29/1032665029.db2.gz PUIZGMFZOXGRGF-HNNXBMFYSA-N 1 2 349.409 3.830 20 0 EHADLO Cc1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000597772711 1032671134 /nfs/dbraw/zinc/67/11/34/1032671134.db2.gz SKUIFRLTTSKSAS-UHFFFAOYSA-N 1 2 345.874 3.985 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(CC)cc3)CC2)s1 ZINC000606395878 1032673599 /nfs/dbraw/zinc/67/35/99/1032673599.db2.gz XIFUAKXRVWTRFI-UHFFFAOYSA-N 1 2 342.508 3.831 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)cs1 ZINC000593045008 1032677614 /nfs/dbraw/zinc/67/76/14/1032677614.db2.gz FMBCCHAEWSBNCG-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)cs1 ZINC000593045008 1032677620 /nfs/dbraw/zinc/67/76/20/1032677620.db2.gz FMBCCHAEWSBNCG-SFHVURJKSA-N 1 2 348.443 3.623 20 0 EHADLO Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(C)nn1 ZINC000683455180 1017224730 /nfs/dbraw/zinc/22/47/30/1017224730.db2.gz RGMDJAONEASYFO-UHFFFAOYSA-N 1 2 347.422 3.546 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000683455719 1017225430 /nfs/dbraw/zinc/22/54/30/1017225430.db2.gz YQPKIYJNEINXBS-UHFFFAOYSA-N 1 2 349.438 3.502 20 0 EHADLO COCCOc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)o1 ZINC000892738452 1017282205 /nfs/dbraw/zinc/28/22/05/1017282205.db2.gz DQSOSFVPOUEVHV-UHFFFAOYSA-N 1 2 330.211 3.901 20 0 EHADLO C[N@H+](CCOc1cc(F)cc(Br)c1)Cc1cscn1 ZINC000188882075 1017321583 /nfs/dbraw/zinc/32/15/83/1017321583.db2.gz VGLXMZGZJCCQII-UHFFFAOYSA-N 1 2 345.237 3.556 20 0 EHADLO C[N@@H+](CCOc1cc(F)cc(Br)c1)Cc1cscn1 ZINC000188882075 1017321591 /nfs/dbraw/zinc/32/15/91/1017321591.db2.gz VGLXMZGZJCCQII-UHFFFAOYSA-N 1 2 345.237 3.556 20 0 EHADLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000091454685 1032698861 /nfs/dbraw/zinc/69/88/61/1032698861.db2.gz IHIJQDYHRWBRGU-KRWDZBQOSA-N 1 2 326.419 3.948 20 0 EHADLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000091454685 1032698862 /nfs/dbraw/zinc/69/88/62/1032698862.db2.gz IHIJQDYHRWBRGU-KRWDZBQOSA-N 1 2 326.419 3.948 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001143490122 1017519111 /nfs/dbraw/zinc/51/91/11/1017519111.db2.gz HHMSGKQBOFZERE-UHFFFAOYSA-N 1 2 347.409 3.519 20 0 EHADLO CCOc1ccc(F)c(F)c1C[N@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001143490122 1017519123 /nfs/dbraw/zinc/51/91/23/1017519123.db2.gz HHMSGKQBOFZERE-UHFFFAOYSA-N 1 2 347.409 3.519 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000647052372 1017552597 /nfs/dbraw/zinc/55/25/97/1017552597.db2.gz IFQZXQOSRXMRQN-MRXNPFEDSA-N 1 2 349.887 3.710 20 0 EHADLO C[C@H]([NH2+]Cc1ccncc1Br)c1nc2ccccc2n1C ZINC000625355693 1017577575 /nfs/dbraw/zinc/57/75/75/1017577575.db2.gz YHSRFEJQSYRKFE-NSHDSACASA-N 1 2 345.244 3.582 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc2ccccc2o1 ZINC000655793825 1017625736 /nfs/dbraw/zinc/62/57/36/1017625736.db2.gz DPYIBMYDKDQOES-YJBOKZPZSA-N 1 2 340.427 3.889 20 0 EHADLO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794564 1017626158 /nfs/dbraw/zinc/62/61/58/1017626158.db2.gz PDZWHQFXJATJER-GDBMZVCRSA-N 1 2 328.460 3.502 20 0 EHADLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655796827 1017632666 /nfs/dbraw/zinc/63/26/66/1017632666.db2.gz JMIYWTUWPRFMED-IUODEOHRSA-N 1 2 332.473 3.619 20 0 EHADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCCC2 ZINC000655797474 1017635768 /nfs/dbraw/zinc/63/57/68/1017635768.db2.gz OKOMQBUMABJCNX-CVEARBPZSA-N 1 2 346.862 3.867 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+]3CC=C(c4ccnn4C)CC3)o2)cc1 ZINC000375618906 1017641288 /nfs/dbraw/zinc/64/12/88/1017641288.db2.gz QCQBMBXSEOAVCT-UHFFFAOYSA-N 1 2 334.423 3.673 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+]3CC=C(c4ccnn4C)CC3)o2)cc1 ZINC000375618906 1017641295 /nfs/dbraw/zinc/64/12/95/1017641295.db2.gz QCQBMBXSEOAVCT-UHFFFAOYSA-N 1 2 334.423 3.673 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365551721 1017650634 /nfs/dbraw/zinc/65/06/34/1017650634.db2.gz IJVGCQMBNNLZOD-MSOLQXFVSA-N 1 2 340.471 3.706 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCCN1c1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC000892907846 1017691142 /nfs/dbraw/zinc/69/11/42/1017691142.db2.gz BVCNUBLVUGRKNS-SFHVURJKSA-N 1 2 335.455 3.825 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000613668853 1017709856 /nfs/dbraw/zinc/70/98/56/1017709856.db2.gz DOPDQOYILDIKNC-CVEARBPZSA-N 1 2 331.847 3.551 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ncc(Br)cn1 ZINC000340424453 1017734945 /nfs/dbraw/zinc/73/49/45/1017734945.db2.gz QVSNHFIHTRKYQL-LKFCYVNXSA-N 1 2 336.208 3.716 20 0 EHADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cc(F)ccc1Br ZINC000075820362 1018001973 /nfs/dbraw/zinc/00/19/73/1018001973.db2.gz XLHWHYSYPYMXGL-UHFFFAOYSA-N 1 2 346.631 3.573 20 0 EHADLO O=C(NCC1(c2ccccc2)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047271700 1018088104 /nfs/dbraw/zinc/08/81/04/1018088104.db2.gz BICBWYQMPKKFKM-UHFFFAOYSA-N 1 2 345.446 3.783 20 0 EHADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1F ZINC000091920942 1032742381 /nfs/dbraw/zinc/74/23/81/1032742381.db2.gz JZHGHVTVMGOCHP-RDJZCZTQSA-N 1 2 335.444 3.520 20 0 EHADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1F ZINC000091920942 1032742400 /nfs/dbraw/zinc/74/24/00/1032742400.db2.gz JZHGHVTVMGOCHP-RDJZCZTQSA-N 1 2 335.444 3.520 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000574216336 1032743104 /nfs/dbraw/zinc/74/31/04/1032743104.db2.gz GUCQMXQPIZHNOJ-LLVKDONJSA-N 1 2 325.334 3.722 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000574216336 1032743120 /nfs/dbraw/zinc/74/31/20/1032743120.db2.gz GUCQMXQPIZHNOJ-LLVKDONJSA-N 1 2 325.334 3.722 20 0 EHADLO OCCC[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000893006200 1018129021 /nfs/dbraw/zinc/12/90/21/1018129021.db2.gz AYRCICHJBYLMPV-CYBMUJFWSA-N 1 2 330.375 3.765 20 0 EHADLO COC[C@H]([NH2+]Cc1ncccc1F)c1cccc(C(F)(F)F)c1 ZINC000090720534 1018204966 /nfs/dbraw/zinc/20/49/66/1018204966.db2.gz YEZHEZNEBUDZHS-HNNXBMFYSA-N 1 2 328.309 3.717 20 0 EHADLO Nc1nccc([C@@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)n1 ZINC000377699731 1018214315 /nfs/dbraw/zinc/21/43/15/1018214315.db2.gz QXTPOONENNETAR-SECBINFHSA-N 1 2 343.283 3.637 20 0 EHADLO Nc1nccc([C@@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)n1 ZINC000377699731 1018214331 /nfs/dbraw/zinc/21/43/31/1018214331.db2.gz QXTPOONENNETAR-SECBINFHSA-N 1 2 343.283 3.637 20 0 EHADLO Cc1cc(C)c(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001125403680 1018270692 /nfs/dbraw/zinc/27/06/92/1018270692.db2.gz CRNSBZLWGSWVHB-HNNXBMFYSA-N 1 2 339.439 3.603 20 0 EHADLO c1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]2CCCO2)cc1 ZINC000053230095 1018306448 /nfs/dbraw/zinc/30/64/48/1018306448.db2.gz QFLGRKGBKYFUEG-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO c1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]2CCCO2)cc1 ZINC000053230095 1018306461 /nfs/dbraw/zinc/30/64/61/1018306461.db2.gz QFLGRKGBKYFUEG-IBGZPJMESA-N 1 2 349.434 3.918 20 0 EHADLO C[C@@H](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)n1cc[nH+]c1 ZINC000651042420 1018316987 /nfs/dbraw/zinc/31/69/87/1018316987.db2.gz FCKQMWXDUDNCSR-HNNXBMFYSA-N 1 2 334.423 3.631 20 0 EHADLO C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000275727758 1018366622 /nfs/dbraw/zinc/36/66/22/1018366622.db2.gz VFZOWGRUNCGBSL-TZMCWYRMSA-N 1 2 343.402 3.591 20 0 EHADLO CC(C)(CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1 ZINC000377823578 1018433844 /nfs/dbraw/zinc/43/38/44/1018433844.db2.gz KXEJTABPKJSYMQ-AWEZNQCLSA-N 1 2 331.847 3.577 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H]1CCc1ccccc1 ZINC000606583501 1032766838 /nfs/dbraw/zinc/76/68/38/1032766838.db2.gz DKBISNIXEJCHBG-SFHVURJKSA-N 1 2 334.423 3.963 20 0 EHADLO CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000606633211 1032762717 /nfs/dbraw/zinc/76/27/17/1032762717.db2.gz KKEAJACSIIFFEA-FUHWJXTLSA-N 1 2 344.503 3.792 20 0 EHADLO CC(C)OCc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582647 1032768431 /nfs/dbraw/zinc/76/84/31/1032768431.db2.gz YCGMEPMXTQPKIX-UHFFFAOYSA-N 1 2 338.411 3.581 20 0 EHADLO C[C@H]([NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)c1ncn(C)n1 ZINC000275753679 1018511523 /nfs/dbraw/zinc/51/15/23/1018511523.db2.gz SBBBKXVNQLSWPV-HZMBPMFUSA-N 1 2 338.427 3.858 20 0 EHADLO CC(C)COc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606584515 1032770299 /nfs/dbraw/zinc/77/02/99/1032770299.db2.gz ZHXNJVMVCMWFRG-UHFFFAOYSA-N 1 2 338.411 3.691 20 0 EHADLO CCc1cccc2c(CCNC(=O)Nc3ccc4[nH+]ccn4c3)c[nH]c21 ZINC000606583905 1032771109 /nfs/dbraw/zinc/77/11/09/1032771109.db2.gz SBQJEHBXJIQTLR-UHFFFAOYSA-N 1 2 347.422 3.742 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1CC(C)(C)C1 ZINC000340573215 1018556383 /nfs/dbraw/zinc/55/63/83/1018556383.db2.gz MKJSJNOBSNEBBN-UHFFFAOYSA-N 1 2 330.472 3.592 20 0 EHADLO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000668883212 1018557412 /nfs/dbraw/zinc/55/74/12/1018557412.db2.gz WPGPKZGWZCMNAH-ICSRJNTNSA-N 1 2 337.467 3.898 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528768654 1032771647 /nfs/dbraw/zinc/77/16/47/1032771647.db2.gz NZNDUZCXPRYDIE-SECBINFHSA-N 1 2 348.187 3.797 20 0 EHADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528768654 1032771661 /nfs/dbraw/zinc/77/16/61/1032771661.db2.gz NZNDUZCXPRYDIE-SECBINFHSA-N 1 2 348.187 3.797 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000651196252 1018605765 /nfs/dbraw/zinc/60/57/65/1018605765.db2.gz VQRHMTOLDRNZPM-UHFFFAOYSA-N 1 2 341.308 3.559 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3cccc(Cl)c3)ccc2[nH+]1 ZINC000340592017 1018606466 /nfs/dbraw/zinc/60/64/66/1018606466.db2.gz GKRUWNDHXUYYNA-UHFFFAOYSA-N 1 2 328.803 3.960 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)s1 ZINC000528768461 1032775721 /nfs/dbraw/zinc/77/57/21/1032775721.db2.gz NHAMYIHDAZUVRH-CQSZACIVSA-N 1 2 335.448 3.844 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)s1 ZINC000528768461 1032775736 /nfs/dbraw/zinc/77/57/36/1032775736.db2.gz NHAMYIHDAZUVRH-CQSZACIVSA-N 1 2 335.448 3.844 20 0 EHADLO Cc1[nH]c(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)[nH+]c1C ZINC000580097291 1018636256 /nfs/dbraw/zinc/63/62/56/1018636256.db2.gz HIRXNNHAAOPGRW-UHFFFAOYSA-N 1 2 335.333 3.843 20 0 EHADLO COc1ccccc1COC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000092424420 1032777234 /nfs/dbraw/zinc/77/72/34/1032777234.db2.gz FSNYSTQCZFEKJJ-UVTDQMKNSA-N 1 2 330.255 3.995 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccccc2Cl)c1C ZINC000046056731 1018673403 /nfs/dbraw/zinc/67/34/03/1018673403.db2.gz UNIGTNMCRGCMIR-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccccc2Cl)c1C ZINC000046056731 1018673411 /nfs/dbraw/zinc/67/34/11/1018673411.db2.gz UNIGTNMCRGCMIR-SFHVURJKSA-N 1 2 346.858 3.561 20 0 EHADLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)s1 ZINC000052071011 1018720865 /nfs/dbraw/zinc/72/08/65/1018720865.db2.gz YQMMXNJPMJQPNT-LBPRGKRZSA-N 1 2 334.510 3.608 20 0 EHADLO CCc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)s1 ZINC000052071011 1018720879 /nfs/dbraw/zinc/72/08/79/1018720879.db2.gz YQMMXNJPMJQPNT-LBPRGKRZSA-N 1 2 334.510 3.608 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247638 1018790488 /nfs/dbraw/zinc/79/04/88/1018790488.db2.gz JUCUVCBUSMHEKZ-SFHVURJKSA-N 1 2 345.826 3.700 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247638 1018790502 /nfs/dbraw/zinc/79/05/02/1018790502.db2.gz JUCUVCBUSMHEKZ-SFHVURJKSA-N 1 2 345.826 3.700 20 0 EHADLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000433456279 1018835292 /nfs/dbraw/zinc/83/52/92/1018835292.db2.gz LTJHBQPKZQYDTB-DEOSSOPVSA-N 1 2 344.411 3.800 20 0 EHADLO OC1CCN(c2ccc(Nc3cc(F)c(Cl)c(F)c3)c[nH+]2)CC1 ZINC001210841644 1018836278 /nfs/dbraw/zinc/83/62/78/1018836278.db2.gz UIZPSCYRZLJARH-UHFFFAOYSA-N 1 2 339.773 3.718 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(O)c1Cl ZINC001210855491 1018879099 /nfs/dbraw/zinc/87/90/99/1018879099.db2.gz QTDQIYXQZZWWQU-UHFFFAOYSA-N 1 2 344.802 3.941 20 0 EHADLO CC(C)(COCc1ccccc1)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000500958323 1018888530 /nfs/dbraw/zinc/88/85/30/1018888530.db2.gz RHBIGWFIQNHJAT-UHFFFAOYSA-N 1 2 337.423 3.822 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000749790808 1018912286 /nfs/dbraw/zinc/91/22/86/1018912286.db2.gz ODVGPJUEQWREBF-UHFFFAOYSA-N 1 2 341.492 3.784 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000749790808 1018912304 /nfs/dbraw/zinc/91/23/04/1018912304.db2.gz ODVGPJUEQWREBF-UHFFFAOYSA-N 1 2 341.492 3.784 20 0 EHADLO O=C([C@H]1CC2CCC1CC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513101692 1019019371 /nfs/dbraw/zinc/01/93/71/1019019371.db2.gz SZWODQHHMXRVKR-JOCCRWCTSA-N 1 2 332.875 3.639 20 0 EHADLO O=C([C@H]1CC2CCC1CC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513101691 1019020024 /nfs/dbraw/zinc/02/00/24/1019020024.db2.gz SZWODQHHMXRVKR-GNNGFNCTSA-N 1 2 332.875 3.639 20 0 EHADLO C/C(=C\c1ccc(Cl)cc1)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000513111690 1019024513 /nfs/dbraw/zinc/02/45/13/1019024513.db2.gz KGLWNZJVALPOPE-XNTDXEJSSA-N 1 2 338.842 3.917 20 0 EHADLO CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000729048232 1019166904 /nfs/dbraw/zinc/16/69/04/1019166904.db2.gz DBCDWSXKYYKMNF-MSOLQXFVSA-N 1 2 340.471 3.886 20 0 EHADLO COC[C@H](CCNc1[nH+]ccc2cc(C(F)(F)F)ccc21)OC ZINC000664161502 1019202435 /nfs/dbraw/zinc/20/24/35/1019202435.db2.gz LQPMLMJZFHSQGK-ZDUSSCGKSA-N 1 2 328.334 3.717 20 0 EHADLO C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000580380533 1019226624 /nfs/dbraw/zinc/22/66/24/1019226624.db2.gz OVMQMDUWXLBZBN-QFBILLFUSA-N 1 2 325.456 3.511 20 0 EHADLO Cc1cc(C)cc(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000340682741 1019270313 /nfs/dbraw/zinc/27/03/13/1019270313.db2.gz OGOSQMDBTUGPRC-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cc1c[nH+]c(CCNc2nc(-c3ccccn3)nc(C)c2C)c(C)c1 ZINC000656210850 1019285887 /nfs/dbraw/zinc/28/58/87/1019285887.db2.gz IXNXFTNFTHMTHP-UHFFFAOYSA-N 1 2 333.439 3.822 20 0 EHADLO C[N@H+](CCOCc1ccccc1)Cc1c(Cl)nc2ccccn21 ZINC000091936960 1019307562 /nfs/dbraw/zinc/30/75/62/1019307562.db2.gz HNVDEHZDNTVKDW-UHFFFAOYSA-N 1 2 329.831 3.636 20 0 EHADLO C[N@@H+](CCOCc1ccccc1)Cc1c(Cl)nc2ccccn21 ZINC000091936960 1019307581 /nfs/dbraw/zinc/30/75/81/1019307581.db2.gz HNVDEHZDNTVKDW-UHFFFAOYSA-N 1 2 329.831 3.636 20 0 EHADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926831 1019315118 /nfs/dbraw/zinc/31/51/18/1019315118.db2.gz PCDWGDXMRIUUGO-UHFFFAOYSA-N 1 2 330.391 3.843 20 0 EHADLO CCC/C=C/C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000729371323 1019325025 /nfs/dbraw/zinc/32/50/25/1019325025.db2.gz AZLWSQROMBSAMO-ONNFQVAWSA-N 1 2 337.427 3.618 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC3(CC3)c3ccccc31)C2 ZINC000476082689 1032823649 /nfs/dbraw/zinc/82/36/49/1032823649.db2.gz ZFFIFEQMJVGRLC-CQSZACIVSA-N 1 2 335.451 3.716 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC3(CC3)c3ccccc31)CC2 ZINC000476082689 1032823662 /nfs/dbraw/zinc/82/36/62/1032823662.db2.gz ZFFIFEQMJVGRLC-CQSZACIVSA-N 1 2 335.451 3.716 20 0 EHADLO COc1cc2c(c(C[NH2+]C3(c4nc(C)cs4)CCC3)c1)O[C@@H](C)C2 ZINC000340691145 1019383759 /nfs/dbraw/zinc/38/37/59/1019383759.db2.gz PUVTYMFFYBKIQC-ZDUSSCGKSA-N 1 2 344.480 3.953 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449572311 1032829308 /nfs/dbraw/zinc/82/93/08/1032829308.db2.gz MUUGXFKLOUNLAS-TVQRCGJNSA-N 1 2 326.227 3.994 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccc4n[nH]cc4c3)n2)c1 ZINC000513217154 1019431801 /nfs/dbraw/zinc/43/18/01/1019431801.db2.gz DZUZKYVPHQZLEU-ZDUSSCGKSA-N 1 2 333.395 3.772 20 0 EHADLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc(-c2cccs2)n1 ZINC000413099345 1019443787 /nfs/dbraw/zinc/44/37/87/1019443787.db2.gz FZUJKKGGXZUJJA-UHFFFAOYSA-N 1 2 325.441 3.552 20 0 EHADLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000580520007 1019540037 /nfs/dbraw/zinc/54/00/37/1019540037.db2.gz IEKSXXHICYGOJE-INIZCTEOSA-N 1 2 349.471 3.909 20 0 EHADLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000580520007 1019540042 /nfs/dbraw/zinc/54/00/42/1019540042.db2.gz IEKSXXHICYGOJE-INIZCTEOSA-N 1 2 349.471 3.909 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513397416 1019607138 /nfs/dbraw/zinc/60/71/38/1019607138.db2.gz LHOQLYHCGFLVBA-CQSZACIVSA-N 1 2 346.450 3.780 20 0 EHADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513397416 1019607146 /nfs/dbraw/zinc/60/71/46/1019607146.db2.gz LHOQLYHCGFLVBA-CQSZACIVSA-N 1 2 346.450 3.780 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528801626 1032843268 /nfs/dbraw/zinc/84/32/68/1032843268.db2.gz IYFGAVHSXCFVIM-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528801626 1032843287 /nfs/dbraw/zinc/84/32/87/1032843287.db2.gz IYFGAVHSXCFVIM-UHFFFAOYSA-N 1 2 346.843 3.693 20 0 EHADLO CC(C)c1nc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000047957504 1019675960 /nfs/dbraw/zinc/67/59/60/1019675960.db2.gz KBULCTAPJWWEQA-UHFFFAOYSA-N 1 2 349.544 3.881 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000077309552 1019787939 /nfs/dbraw/zinc/78/79/39/1019787939.db2.gz ZBSVEVLCXXREEX-MOPGFXCFSA-N 1 2 325.456 3.581 20 0 EHADLO Cc1ccc2oc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)nc2c1 ZINC000513609956 1019869738 /nfs/dbraw/zinc/86/97/38/1019869738.db2.gz RSMQXFWAAUHZIL-GOSISDBHSA-N 1 2 337.423 3.622 20 0 EHADLO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000471614392 1019919109 /nfs/dbraw/zinc/91/91/09/1019919109.db2.gz UMKBRHHBCXHZTG-MRXNPFEDSA-N 1 2 336.439 3.851 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)CCSc2ccccc2)c1C ZINC000050449162 1019929257 /nfs/dbraw/zinc/92/92/57/1019929257.db2.gz RRQQBXHEVRDMHB-UHFFFAOYSA-N 1 2 330.453 3.506 20 0 EHADLO C[C@@H](c1cc(F)ccc1F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000348526765 1019969067 /nfs/dbraw/zinc/96/90/67/1019969067.db2.gz XMMGNHCLIUHSSQ-AWEZNQCLSA-N 1 2 332.394 3.549 20 0 EHADLO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(Br)cn3)cn21 ZINC000279998103 1019979546 /nfs/dbraw/zinc/97/95/46/1019979546.db2.gz FTWNTXAROBCRCG-LBPRGKRZSA-N 1 2 345.244 3.651 20 0 EHADLO CCOC(=O)c1c(C)onc1COc1cc(C)[nH+]c2c(C)cccc12 ZINC000580802460 1020035010 /nfs/dbraw/zinc/03/50/10/1020035010.db2.gz BJDYPGFNQGIDNV-UHFFFAOYSA-N 1 2 340.379 3.904 20 0 EHADLO CCc1sc(-c2nnc(C[N@@H+]3CCS[C@@H](C)[C@H]3C)o2)cc1C ZINC000345220783 1020047217 /nfs/dbraw/zinc/04/72/17/1020047217.db2.gz ARNOZIGBZDLAON-NEPJUHHUSA-N 1 2 337.514 3.995 20 0 EHADLO CCc1sc(-c2nnc(C[N@H+]3CCS[C@@H](C)[C@H]3C)o2)cc1C ZINC000345220783 1020047230 /nfs/dbraw/zinc/04/72/30/1020047230.db2.gz ARNOZIGBZDLAON-NEPJUHHUSA-N 1 2 337.514 3.995 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345288065 1020127322 /nfs/dbraw/zinc/12/73/22/1020127322.db2.gz NKFPAYKNSMEKIZ-SJLPKXTDSA-N 1 2 329.488 3.583 20 0 EHADLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1C1CC1 ZINC000580885888 1020188581 /nfs/dbraw/zinc/18/85/81/1020188581.db2.gz WVQMYTKEQUHTDI-HNNXBMFYSA-N 1 2 348.516 3.781 20 0 EHADLO CCCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000345416345 1020232305 /nfs/dbraw/zinc/23/23/05/1020232305.db2.gz OHVUWBTYTIMTOP-UHFFFAOYSA-N 1 2 329.488 3.896 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3C)C2)c(C)[nH+]1 ZINC000574252130 1032886003 /nfs/dbraw/zinc/88/60/03/1032886003.db2.gz MLEMLJCLSOTNOH-GOSISDBHSA-N 1 2 339.439 3.921 20 0 EHADLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606897192 1032889366 /nfs/dbraw/zinc/88/93/66/1032889366.db2.gz LBQIGYLWOAXPJN-KXBFYZLASA-N 1 2 346.902 3.879 20 0 EHADLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000606897192 1032889379 /nfs/dbraw/zinc/88/93/79/1032889379.db2.gz LBQIGYLWOAXPJN-KXBFYZLASA-N 1 2 346.902 3.879 20 0 EHADLO O=C(Cc1csc2ccccc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345461440 1020299344 /nfs/dbraw/zinc/29/93/44/1020299344.db2.gz QFBAAXZJHZBWNW-MRXNPFEDSA-N 1 2 338.432 3.519 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000580962363 1020306422 /nfs/dbraw/zinc/30/64/22/1020306422.db2.gz OMMKTEQXOPKHLI-SUMWQHHRSA-N 1 2 331.847 3.996 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000580962363 1020306431 /nfs/dbraw/zinc/30/64/31/1020306431.db2.gz OMMKTEQXOPKHLI-SUMWQHHRSA-N 1 2 331.847 3.996 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000280351111 1020308328 /nfs/dbraw/zinc/30/83/28/1020308328.db2.gz WPGCTJBWZDWUQE-GFCCVEGCSA-N 1 2 348.434 3.932 20 0 EHADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1I ZINC000706787657 1020369246 /nfs/dbraw/zinc/36/92/46/1020369246.db2.gz IYOZBTJSFWCUIZ-DTWKUNHWSA-N 1 2 335.616 3.785 20 0 EHADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1I ZINC000706787657 1020369256 /nfs/dbraw/zinc/36/92/56/1020369256.db2.gz IYOZBTJSFWCUIZ-DTWKUNHWSA-N 1 2 335.616 3.785 20 0 EHADLO CCC[C@@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434096817 1020373688 /nfs/dbraw/zinc/37/36/88/1020373688.db2.gz YXXFJOZLDKODJN-MRXNPFEDSA-N 1 2 332.492 3.687 20 0 EHADLO Fc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001204550302 1020377673 /nfs/dbraw/zinc/37/76/73/1020377673.db2.gz CYIBQDMFDJGHHT-HNNXBMFYSA-N 1 2 328.225 3.733 20 0 EHADLO Fc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001204550302 1020377687 /nfs/dbraw/zinc/37/76/87/1020377687.db2.gz CYIBQDMFDJGHHT-HNNXBMFYSA-N 1 2 328.225 3.733 20 0 EHADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)c2ccccn21 ZINC000581074209 1020404961 /nfs/dbraw/zinc/40/49/61/1020404961.db2.gz KMTCPUORGUXWKN-MRXNPFEDSA-N 1 2 336.439 3.506 20 0 EHADLO CC(C)c1nc(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)c2ccccn21 ZINC000581074209 1020404966 /nfs/dbraw/zinc/40/49/66/1020404966.db2.gz KMTCPUORGUXWKN-MRXNPFEDSA-N 1 2 336.439 3.506 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000528825603 1032899095 /nfs/dbraw/zinc/89/90/95/1032899095.db2.gz DQTJQZVQGQSRDF-GZBFAFLISA-N 1 2 347.459 3.685 20 0 EHADLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000054545036 1032902094 /nfs/dbraw/zinc/90/20/94/1032902094.db2.gz YOXWXZUXXSNWLJ-UHFFFAOYSA-N 1 2 342.468 3.733 20 0 EHADLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000054545036 1032902104 /nfs/dbraw/zinc/90/21/04/1032902104.db2.gz YOXWXZUXXSNWLJ-UHFFFAOYSA-N 1 2 342.468 3.733 20 0 EHADLO CC1=CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000280587830 1020498540 /nfs/dbraw/zinc/49/85/40/1020498540.db2.gz CTAARAJSOMYENF-UHFFFAOYSA-N 1 2 334.423 3.786 20 0 EHADLO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000581215250 1020523096 /nfs/dbraw/zinc/52/30/96/1020523096.db2.gz RMGAOLLPLROUOJ-INIZCTEOSA-N 1 2 337.398 3.863 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000280615518 1020526081 /nfs/dbraw/zinc/52/60/81/1020526081.db2.gz ZIQJRVSOLIQBLY-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000280615518 1020526088 /nfs/dbraw/zinc/52/60/88/1020526088.db2.gz ZIQJRVSOLIQBLY-GFCCVEGCSA-N 1 2 330.255 3.763 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)C1CCCCC1 ZINC000476127482 1032910517 /nfs/dbraw/zinc/91/05/17/1032910517.db2.gz BACCSSRYOFAUPH-NSHDSACASA-N 1 2 335.398 3.708 20 0 EHADLO CC1=CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000280674677 1020565363 /nfs/dbraw/zinc/56/53/63/1020565363.db2.gz QDASSKAPKDDASW-ZDUSSCGKSA-N 1 2 334.489 3.559 20 0 EHADLO CC1=CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000280674677 1020565370 /nfs/dbraw/zinc/56/53/70/1020565370.db2.gz QDASSKAPKDDASW-ZDUSSCGKSA-N 1 2 334.489 3.559 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3C)CC2)s1 ZINC000345924523 1020615347 /nfs/dbraw/zinc/61/53/47/1020615347.db2.gz HEJAHXJNENFWOO-UHFFFAOYSA-N 1 2 348.537 3.567 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CCSc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000345952441 1020627503 /nfs/dbraw/zinc/62/75/03/1020627503.db2.gz LOAIZYWOAKKZRE-OIISXLGYSA-N 1 2 341.480 3.572 20 0 EHADLO CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510377831 1020634705 /nfs/dbraw/zinc/63/47/05/1020634705.db2.gz MIKYQESLJPKDLF-MSOLQXFVSA-N 1 2 329.488 3.773 20 0 EHADLO CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419478734 1020666056 /nfs/dbraw/zinc/66/60/56/1020666056.db2.gz RXCRQHNLIQREFC-ZACQAIPSSA-N 1 2 344.503 3.517 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340971208 1020710390 /nfs/dbraw/zinc/71/03/90/1020710390.db2.gz BSSLOQGZGLRFKT-LEWJYISDSA-N 1 2 345.446 3.741 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000050923112 1020711641 /nfs/dbraw/zinc/71/16/41/1020711641.db2.gz WEBITGZAPONOBE-KRWDZBQOSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1ccc(C[C@@H]2CCC[N@@H+](Cn3ncn(C4CC4)c3=S)C2)cc1 ZINC000050923112 1020711646 /nfs/dbraw/zinc/71/16/46/1020711646.db2.gz WEBITGZAPONOBE-KRWDZBQOSA-N 1 2 342.512 3.970 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cn2c1 ZINC000042403569 1020713278 /nfs/dbraw/zinc/71/32/78/1020713278.db2.gz JNGUKEIGOUXAMO-HLLBOEOZSA-N 1 2 345.512 3.817 20 0 EHADLO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC000292432810 1020716846 /nfs/dbraw/zinc/71/68/46/1020716846.db2.gz VAVNVFPLULVVPJ-MRXNPFEDSA-N 1 2 328.460 3.657 20 0 EHADLO CC[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC1(C)C ZINC000419566111 1020717992 /nfs/dbraw/zinc/71/79/92/1020717992.db2.gz OTZMSKHOMXMDRZ-CABCVRRESA-N 1 2 333.476 3.673 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC[C@H](C)c3ccccc3)[nH+]c12 ZINC000123785065 1020724366 /nfs/dbraw/zinc/72/43/66/1020724366.db2.gz BMJLRSKZMLMKDB-INIZCTEOSA-N 1 2 335.451 3.885 20 0 EHADLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Br)s1 ZINC000577223340 1020784422 /nfs/dbraw/zinc/78/44/22/1020784422.db2.gz ABNDLZFVYXUEEJ-UWVGGRQHSA-N 1 2 342.262 3.536 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000933243051 1020800730 /nfs/dbraw/zinc/80/07/30/1020800730.db2.gz HFLKBCDLORJEKV-REPLKXPHSA-N 1 2 342.483 3.592 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684230153 1020826986 /nfs/dbraw/zinc/82/69/86/1020826986.db2.gz FYSSLJQKNLNRJX-ZBFHGGJFSA-N 1 2 338.386 3.931 20 0 EHADLO CCn1c[nH+]c2c1CCN([C@@H](C)c1ccc(Br)cc1)C2 ZINC000933255657 1020828498 /nfs/dbraw/zinc/82/84/98/1020828498.db2.gz OGUYASDIFNFIOP-LBPRGKRZSA-N 1 2 334.261 3.785 20 0 EHADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000933256586 1020829686 /nfs/dbraw/zinc/82/96/86/1020829686.db2.gz NZHWGKDVFCGMLV-PXNSSMCTSA-N 1 2 325.456 3.572 20 0 EHADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000933256586 1020829694 /nfs/dbraw/zinc/82/96/94/1020829694.db2.gz NZHWGKDVFCGMLV-PXNSSMCTSA-N 1 2 325.456 3.572 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCCCC1 ZINC000172829762 1032939034 /nfs/dbraw/zinc/93/90/34/1032939034.db2.gz UZOHZRVEOVHMJT-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO C[C@H]1Oc2ccccc2[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000341050354 1020925519 /nfs/dbraw/zinc/92/55/19/1020925519.db2.gz PUAZUTCSOHRJRH-FZKQIMNGSA-N 1 2 343.390 3.750 20 0 EHADLO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000581476031 1020965844 /nfs/dbraw/zinc/96/58/44/1020965844.db2.gz WRUNWEHPULKOEV-UHFFFAOYSA-N 1 2 345.497 3.600 20 0 EHADLO CSc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000581495816 1021013136 /nfs/dbraw/zinc/01/31/36/1021013136.db2.gz QKUJPLBVCXESTL-WKILWMFISA-N 1 2 341.480 3.957 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2sccc2c1 ZINC000760432340 1032950111 /nfs/dbraw/zinc/95/01/11/1032950111.db2.gz FMMJDGUMGAPNFI-MRXNPFEDSA-N 1 2 327.453 3.943 20 0 EHADLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000276342161 1021060446 /nfs/dbraw/zinc/06/04/46/1021060446.db2.gz IMMJKSUTXFKYHN-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276342161 1021060451 /nfs/dbraw/zinc/06/04/51/1021060451.db2.gz IMMJKSUTXFKYHN-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO CCc1nc(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)co1 ZINC000834901145 1021092039 /nfs/dbraw/zinc/09/20/39/1021092039.db2.gz ZUPYERCSRUBQNP-SECBINFHSA-N 1 2 327.197 3.989 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000341216134 1021115906 /nfs/dbraw/zinc/11/59/06/1021115906.db2.gz FVEVVRGMDSOPLM-GFCCVEGCSA-N 1 2 349.390 3.941 20 0 EHADLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)OCCO2 ZINC000090228749 1021118614 /nfs/dbraw/zinc/11/86/14/1021118614.db2.gz ZYWVHZPUNGLZDP-VIFPVBQESA-N 1 2 341.304 3.865 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1cscn1 ZINC000656681271 1021159637 /nfs/dbraw/zinc/15/96/37/1021159637.db2.gz CLYSAEQWSYSCJE-BDAKNGLRSA-N 1 2 327.812 3.613 20 0 EHADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)csc2C1 ZINC000075552445 1021168641 /nfs/dbraw/zinc/16/86/41/1021168641.db2.gz WXEFKTXBUUNTQG-OLZOCXBDSA-N 1 2 329.469 3.616 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)n2)s1 ZINC000426284775 1021168718 /nfs/dbraw/zinc/16/87/18/1021168718.db2.gz APBSPHURLQLNGX-ZDUSSCGKSA-N 1 2 333.482 3.745 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)n2)s1 ZINC000426284775 1021168723 /nfs/dbraw/zinc/16/87/23/1021168723.db2.gz APBSPHURLQLNGX-ZDUSSCGKSA-N 1 2 333.482 3.745 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2Br)c1F ZINC000656688542 1021170139 /nfs/dbraw/zinc/17/01/39/1021170139.db2.gz NOWDSIWBYSOORC-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO FC1CC2(C1)C[NH+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C2 ZINC000656694080 1021176463 /nfs/dbraw/zinc/17/64/63/1021176463.db2.gz JOUYRTDSEUEILH-MRXNPFEDSA-N 1 2 339.838 3.832 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000505880717 1021213155 /nfs/dbraw/zinc/21/31/55/1021213155.db2.gz XRWDZQSVKPBXHP-ZNFPLGDCSA-N 1 2 327.453 3.568 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000505880717 1021213163 /nfs/dbraw/zinc/21/31/63/1021213163.db2.gz XRWDZQSVKPBXHP-ZNFPLGDCSA-N 1 2 327.453 3.568 20 0 EHADLO CC(C)(C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000096704768 1032966707 /nfs/dbraw/zinc/96/67/07/1032966707.db2.gz AOLWRRNBSKOWPL-CQSZACIVSA-N 1 2 341.858 3.714 20 0 EHADLO COc1cccc(C(F)(F)C[NH2+]C2CC(c3ccc(F)cc3)C2)n1 ZINC000518503704 1021244651 /nfs/dbraw/zinc/24/46/51/1021244651.db2.gz AIELRGFXZMFCQO-UHFFFAOYSA-N 1 2 336.357 3.857 20 0 EHADLO Cn1c2ccc(C[N@@H+]3CC[C@H]3c3cccc(F)c3)cc2sc1=O ZINC000684360950 1021282024 /nfs/dbraw/zinc/28/20/24/1021282024.db2.gz IOUPNBGGPYZWCN-HNNXBMFYSA-N 1 2 328.412 3.686 20 0 EHADLO Cn1c2ccc(C[N@H+]3CC[C@H]3c3cccc(F)c3)cc2sc1=O ZINC000684360950 1021282038 /nfs/dbraw/zinc/28/20/38/1021282038.db2.gz IOUPNBGGPYZWCN-HNNXBMFYSA-N 1 2 328.412 3.686 20 0 EHADLO CC/C=C\CC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282478 1021288001 /nfs/dbraw/zinc/28/80/01/1021288001.db2.gz BWDWEAXOOHMDBN-JZIMQPMSSA-N 1 2 326.362 3.535 20 0 EHADLO CC/C=C\CC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000341282478 1021288004 /nfs/dbraw/zinc/28/80/04/1021288004.db2.gz BWDWEAXOOHMDBN-JZIMQPMSSA-N 1 2 326.362 3.535 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1C[C@@H]2CCC[C@H]21 ZINC000425669839 1021451311 /nfs/dbraw/zinc/45/13/11/1021451311.db2.gz DJFJPBNNSSBHJU-KBXCAEBGSA-N 1 2 336.439 3.903 20 0 EHADLO COc1ccc(CC[C@@H](C)Nc2ccc(N3CCCC3)c[nH+]2)cc1O ZINC000426419792 1021538432 /nfs/dbraw/zinc/53/84/32/1021538432.db2.gz MMHNDDSQODOJFL-OAHLLOKOSA-N 1 2 341.455 3.829 20 0 EHADLO C[C@H]1CC/C(=C\c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000440530002 1021589518 /nfs/dbraw/zinc/58/95/18/1021589518.db2.gz XTHQCIYBSYETCG-XERWBJCMSA-N 1 2 339.439 3.772 20 0 EHADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437141811 1021595243 /nfs/dbraw/zinc/59/52/43/1021595243.db2.gz GWLBFJCIZLNSHQ-IBGZPJMESA-N 1 2 325.456 3.706 20 0 EHADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000437141811 1021595257 /nfs/dbraw/zinc/59/52/57/1021595257.db2.gz GWLBFJCIZLNSHQ-IBGZPJMESA-N 1 2 325.456 3.706 20 0 EHADLO CC[C@H](F)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000440564674 1021619353 /nfs/dbraw/zinc/61/93/53/1021619353.db2.gz KCIUVNGFMLEOBV-AWEZNQCLSA-N 1 2 334.464 3.703 20 0 EHADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000684406159 1021638284 /nfs/dbraw/zinc/63/82/84/1021638284.db2.gz RWTMGALFXDZKMJ-AWEZNQCLSA-N 1 2 337.332 3.730 20 0 EHADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000684406159 1021638291 /nfs/dbraw/zinc/63/82/91/1021638291.db2.gz RWTMGALFXDZKMJ-AWEZNQCLSA-N 1 2 337.332 3.730 20 0 EHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)CC(C)C)CC2)c1 ZINC000506668890 1021682045 /nfs/dbraw/zinc/68/20/45/1021682045.db2.gz JQCWMFWQNYXAKE-DLBZAZTESA-N 1 2 347.503 3.518 20 0 EHADLO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000506008978 1021687086 /nfs/dbraw/zinc/68/70/86/1021687086.db2.gz HDZIRLSKEYDVLU-UHFFFAOYSA-N 1 2 338.879 3.619 20 0 EHADLO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000506008978 1021687094 /nfs/dbraw/zinc/68/70/94/1021687094.db2.gz HDZIRLSKEYDVLU-UHFFFAOYSA-N 1 2 338.879 3.619 20 0 EHADLO O=C(NCCCc1ccc(Cl)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000519860904 1021735184 /nfs/dbraw/zinc/73/51/84/1021735184.db2.gz UIQQKFJTEVOVBX-UHFFFAOYSA-N 1 2 328.803 3.742 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2c1cccc2C ZINC000684419903 1021741749 /nfs/dbraw/zinc/74/17/49/1021741749.db2.gz SELIOOAECHFUBC-UHFFFAOYSA-N 1 2 341.361 3.521 20 0 EHADLO CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000607130891 1033005741 /nfs/dbraw/zinc/00/57/41/1033005741.db2.gz NLZFNAFCBLSWEY-BHIYHBOVSA-N 1 2 346.540 3.862 20 0 EHADLO CCC[N@H+](Cc1cccc(C(N)=O)c1)Cc1c(F)cccc1Cl ZINC000519906521 1021755876 /nfs/dbraw/zinc/75/58/76/1021755876.db2.gz HOZJTNZNZAUVET-UHFFFAOYSA-N 1 2 334.822 3.990 20 0 EHADLO CCC[N@@H+](Cc1cccc(C(N)=O)c1)Cc1c(F)cccc1Cl ZINC000519906521 1021755891 /nfs/dbraw/zinc/75/58/91/1021755891.db2.gz HOZJTNZNZAUVET-UHFFFAOYSA-N 1 2 334.822 3.990 20 0 EHADLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000506039723 1021772347 /nfs/dbraw/zinc/77/23/47/1021772347.db2.gz BLPGWMVEUGZAEB-HXUWFJFHSA-N 1 2 348.471 3.827 20 0 EHADLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000506039723 1021772363 /nfs/dbraw/zinc/77/23/63/1021772363.db2.gz BLPGWMVEUGZAEB-HXUWFJFHSA-N 1 2 348.471 3.827 20 0 EHADLO O=C(CCc1cnc2ccccc2c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000471705799 1021773095 /nfs/dbraw/zinc/77/30/95/1021773095.db2.gz LVLSNFCKGVPJPT-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC2(C)C)c(C)c1 ZINC000440791398 1021785176 /nfs/dbraw/zinc/78/51/76/1021785176.db2.gz JTXRHQFKMCRFMA-AEFFLSMTSA-N 1 2 340.471 3.587 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N[C@H](COc1ccccc1)c1ccccc1 ZINC000593695722 1033008034 /nfs/dbraw/zinc/00/80/34/1033008034.db2.gz AMRGUCJESPHROO-HXUWFJFHSA-N 1 2 349.434 3.600 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccccc2)c(C)c1 ZINC000440824437 1021819010 /nfs/dbraw/zinc/81/90/10/1021819010.db2.gz XWIZSDRUOGZLOH-FQEVSTJZSA-N 1 2 348.450 3.741 20 0 EHADLO CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]2O1 ZINC000440960329 1021890191 /nfs/dbraw/zinc/89/01/91/1021890191.db2.gz PZEOLOFVLKZQSQ-QZTJIDSGSA-N 1 2 329.419 3.543 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]2O1 ZINC000440960329 1021890203 /nfs/dbraw/zinc/89/02/03/1021890203.db2.gz PZEOLOFVLKZQSQ-QZTJIDSGSA-N 1 2 329.419 3.543 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000437508335 1021900874 /nfs/dbraw/zinc/90/08/74/1021900874.db2.gz ZIAKEBZFFZDTCU-UHFFFAOYSA-N 1 2 332.341 3.737 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000437508335 1021900879 /nfs/dbraw/zinc/90/08/79/1021900879.db2.gz ZIAKEBZFFZDTCU-UHFFFAOYSA-N 1 2 332.341 3.737 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@](C)(CC)C(F)(F)F ZINC000933509798 1021916680 /nfs/dbraw/zinc/91/66/80/1021916680.db2.gz BPDXKWRYKMYMHI-OAHLLOKOSA-N 1 2 348.413 3.598 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000128615500 1033015572 /nfs/dbraw/zinc/01/55/72/1033015572.db2.gz IIWAOKLIADFHPP-OAHLLOKOSA-N 1 2 327.815 3.641 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000128615500 1033015589 /nfs/dbraw/zinc/01/55/89/1033015589.db2.gz IIWAOKLIADFHPP-OAHLLOKOSA-N 1 2 327.815 3.641 20 0 EHADLO COc1ccc(C[C@H](C)CN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001266827504 1021930845 /nfs/dbraw/zinc/93/08/45/1021930845.db2.gz APQDWWUWAVXYBQ-AWEZNQCLSA-N 1 2 340.467 3.966 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)o1 ZINC000506751969 1021936849 /nfs/dbraw/zinc/93/68/49/1021936849.db2.gz LCVSBIFUVZTBKA-UHFFFAOYSA-N 1 2 336.819 3.792 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)o1 ZINC000506751969 1021936854 /nfs/dbraw/zinc/93/68/54/1021936854.db2.gz LCVSBIFUVZTBKA-UHFFFAOYSA-N 1 2 336.819 3.792 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cs1 ZINC000276596661 1021938897 /nfs/dbraw/zinc/93/88/97/1021938897.db2.gz FJCFJLMSXTWNSY-ZDUSSCGKSA-N 1 2 332.469 3.929 20 0 EHADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)c(Cl)ccc1Br ZINC000891572295 1021969447 /nfs/dbraw/zinc/96/94/47/1021969447.db2.gz CORAMGVXOVEFQP-ULKQDVFKSA-N 1 2 348.643 3.729 20 0 EHADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)c(Cl)ccc1Br ZINC000891572295 1021969457 /nfs/dbraw/zinc/96/94/57/1021969457.db2.gz CORAMGVXOVEFQP-ULKQDVFKSA-N 1 2 348.643 3.729 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)cc1 ZINC000437593085 1021968571 /nfs/dbraw/zinc/96/85/71/1021968571.db2.gz SMFIMYHPSLLKFY-QGZVFWFLSA-N 1 2 343.427 3.851 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CCO2)cc1 ZINC000437593085 1021968598 /nfs/dbraw/zinc/96/85/98/1021968598.db2.gz SMFIMYHPSLLKFY-QGZVFWFLSA-N 1 2 343.427 3.851 20 0 EHADLO CCN(Cc1ccc(OC)cc1OC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341462608 1021982191 /nfs/dbraw/zinc/98/21/91/1021982191.db2.gz BTSLSEUCJQRION-UHFFFAOYSA-N 1 2 327.428 3.706 20 0 EHADLO Cc1cc(N2CCc3c(Br)cccc3C2)nc(C2CC2)[nH+]1 ZINC000341495598 1022024495 /nfs/dbraw/zinc/02/44/95/1022024495.db2.gz HJSVEGLRNVEWTO-UHFFFAOYSA-N 1 2 344.256 3.988 20 0 EHADLO COCCSc1ccc([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000341515670 1022034657 /nfs/dbraw/zinc/03/46/57/1022034657.db2.gz XUFBRSCNYJIWBV-AWEZNQCLSA-N 1 2 343.496 3.996 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000607175756 1033026467 /nfs/dbraw/zinc/02/64/67/1033026467.db2.gz SWNKURLHLBRWHM-WMZOPIPTSA-N 1 2 344.503 3.840 20 0 EHADLO C[C@@H](c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000517127943 1022064026 /nfs/dbraw/zinc/06/40/26/1022064026.db2.gz IFUSCCLTYYWQAB-GJYPPUQNSA-N 1 2 345.487 3.780 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)ccn1 ZINC000925023448 1022073668 /nfs/dbraw/zinc/07/36/68/1022073668.db2.gz MSYJVTKCBXCYDC-JKSUJKDBSA-N 1 2 345.491 3.918 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000517172951 1022104078 /nfs/dbraw/zinc/10/40/78/1022104078.db2.gz REYUEQSQQXUEFJ-OXJNMPFZSA-N 1 2 325.456 3.559 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000517172951 1022104098 /nfs/dbraw/zinc/10/40/98/1022104098.db2.gz REYUEQSQQXUEFJ-OXJNMPFZSA-N 1 2 325.456 3.559 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000437778270 1022119714 /nfs/dbraw/zinc/11/97/14/1022119714.db2.gz ABTWTFVCEQGUOI-XJKSGUPXSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000437778270 1022119722 /nfs/dbraw/zinc/11/97/22/1022119722.db2.gz ABTWTFVCEQGUOI-XJKSGUPXSA-N 1 2 329.362 3.505 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2cc(Cl)cc(Cl)c2)no1 ZINC000441246116 1022129843 /nfs/dbraw/zinc/12/98/43/1022129843.db2.gz ODVUNIHLRHXDLA-UHFFFAOYSA-N 1 2 344.242 3.843 20 0 EHADLO O=C(c1ccncc1Oc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000520329140 1022140307 /nfs/dbraw/zinc/14/03/07/1022140307.db2.gz QRICCYHQOKSWSS-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO CC(C)=CC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000141502823 1033033203 /nfs/dbraw/zinc/03/32/03/1033033203.db2.gz CNOBJHAOLRWIPX-UHFFFAOYSA-N 1 2 327.255 3.717 20 0 EHADLO Fc1cccc(Cl)c1C[NH2+]Cc1ccncc1OCC(F)F ZINC000441388483 1022205206 /nfs/dbraw/zinc/20/52/06/1022205206.db2.gz ZKTGHWRBEQIJMO-UHFFFAOYSA-N 1 2 330.737 3.808 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)c1ccc(-c2ccc(F)cc2)s1 ZINC000063706536 1022210884 /nfs/dbraw/zinc/21/08/84/1022210884.db2.gz FICJFDNKJVOVDH-UHFFFAOYSA-N 1 2 341.411 3.791 20 0 EHADLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CC2CCC1CC2 ZINC000520414285 1022216463 /nfs/dbraw/zinc/21/64/63/1022216463.db2.gz OLEOUYWASDPUMH-IDMDMSBLSA-N 1 2 344.503 3.576 20 0 EHADLO CC(C)C[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000550330435 1022248933 /nfs/dbraw/zinc/24/89/33/1022248933.db2.gz FUMGQCCYYIKNTI-LJQANCHMSA-N 1 2 340.471 3.652 20 0 EHADLO CC[C@H](NC(=O)C[N@H+](C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000437889530 1022249326 /nfs/dbraw/zinc/24/93/26/1022249326.db2.gz NTXUDCLELGRLQT-SFHVURJKSA-N 1 2 345.874 3.743 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000437889530 1022249336 /nfs/dbraw/zinc/24/93/36/1022249336.db2.gz NTXUDCLELGRLQT-SFHVURJKSA-N 1 2 345.874 3.743 20 0 EHADLO Cc1cccn2cc(Cc3noc([C@@H]4C[C@H]4c4cccc(O)c4)n3)[nH+]c12 ZINC000517342663 1022258244 /nfs/dbraw/zinc/25/82/44/1022258244.db2.gz LIDMUZNXINJZJL-DLBZAZTESA-N 1 2 346.390 3.593 20 0 EHADLO Cc1c(Cl)cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548320575 1022263135 /nfs/dbraw/zinc/26/31/35/1022263135.db2.gz LHALKHCEUGBRKE-JTQLQIEISA-N 1 2 339.226 3.635 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000172919051 1033040643 /nfs/dbraw/zinc/04/06/43/1033040643.db2.gz ZNIFAGUWNKIRAK-LSDHHAIUSA-N 1 2 329.419 3.517 20 0 EHADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1nc(-c2ccccc2F)ccc1=O ZINC000172919051 1033040650 /nfs/dbraw/zinc/04/06/50/1033040650.db2.gz ZNIFAGUWNKIRAK-LSDHHAIUSA-N 1 2 329.419 3.517 20 0 EHADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1C ZINC000276695714 1022328503 /nfs/dbraw/zinc/32/85/03/1022328503.db2.gz ADNZRKMTDRNNSF-LBPRGKRZSA-N 1 2 343.406 3.560 20 0 EHADLO CCc1onc(-c2ccccc2)c1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000684474914 1022374504 /nfs/dbraw/zinc/37/45/04/1022374504.db2.gz FZZNJLLNICYCEI-UHFFFAOYSA-N 1 2 336.395 3.617 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000425318226 1022394435 /nfs/dbraw/zinc/39/44/35/1022394435.db2.gz TXYUMGRZABPRNY-SLFFLAALSA-N 1 2 345.446 3.852 20 0 EHADLO c1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)n(C2CCC2)n1 ZINC000894491458 1022401586 /nfs/dbraw/zinc/40/15/86/1022401586.db2.gz YBRAXCSXCWAUPH-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO c1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)n(C2CCC2)n1 ZINC000894491458 1022401593 /nfs/dbraw/zinc/40/15/93/1022401593.db2.gz YBRAXCSXCWAUPH-UHFFFAOYSA-N 1 2 347.466 3.643 20 0 EHADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438147258 1022431546 /nfs/dbraw/zinc/43/15/46/1022431546.db2.gz CUNJHPGZZMXTTB-AUSJPIAWSA-N 1 2 347.418 3.555 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157890410 1022436172 /nfs/dbraw/zinc/43/61/72/1022436172.db2.gz SXKFXPWMFAXYSZ-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157890410 1022436176 /nfs/dbraw/zinc/43/61/76/1022436176.db2.gz SXKFXPWMFAXYSZ-KXBFYZLASA-N 1 2 343.398 3.538 20 0 EHADLO CC1(C)C[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1c1cccnc1 ZINC000664823201 1022444174 /nfs/dbraw/zinc/44/41/74/1022444174.db2.gz BMOXXSCVRGKTNX-SFHVURJKSA-N 1 2 336.439 3.610 20 0 EHADLO CC1(C)C[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1c1cccnc1 ZINC000664823201 1022444179 /nfs/dbraw/zinc/44/41/79/1022444179.db2.gz BMOXXSCVRGKTNX-SFHVURJKSA-N 1 2 336.439 3.610 20 0 EHADLO C[C@@H](CC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)n1cc[nH+]c1 ZINC000517573551 1022451714 /nfs/dbraw/zinc/45/17/14/1022451714.db2.gz YMZHBVVLDRHBHH-HNNXBMFYSA-N 1 2 349.438 3.673 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000303584077 1022496234 /nfs/dbraw/zinc/49/62/34/1022496234.db2.gz FQGANGWDYIGMLH-ZWKOTPCHSA-N 1 2 346.519 3.686 20 0 EHADLO CC(C)[C@H](C)N(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000086366501 1022511504 /nfs/dbraw/zinc/51/15/04/1022511504.db2.gz PNBAFSANPLTYBS-INIZCTEOSA-N 1 2 340.471 3.650 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)n2)s1 ZINC000564467066 1022514608 /nfs/dbraw/zinc/51/46/08/1022514608.db2.gz ZCLUKIKBYDTNTD-VIFPVBQESA-N 1 2 332.454 3.720 20 0 EHADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)n2)s1 ZINC000564467066 1022514619 /nfs/dbraw/zinc/51/46/19/1022514619.db2.gz ZCLUKIKBYDTNTD-VIFPVBQESA-N 1 2 332.454 3.720 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830608 1022526240 /nfs/dbraw/zinc/52/62/40/1022526240.db2.gz AOXMMVGPBKEHHU-LPHOPBHVSA-N 1 2 341.499 3.860 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830608 1022526242 /nfs/dbraw/zinc/52/62/42/1022526242.db2.gz AOXMMVGPBKEHHU-LPHOPBHVSA-N 1 2 341.499 3.860 20 0 EHADLO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000349567546 1022534515 /nfs/dbraw/zinc/53/45/15/1022534515.db2.gz YFYZNERVLZZANR-UHFFFAOYSA-N 1 2 338.864 3.616 20 0 EHADLO CCOC(=O)Cc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438303203 1022544197 /nfs/dbraw/zinc/54/41/97/1022544197.db2.gz WRQSHQJPWNYJCT-UHFFFAOYSA-N 1 2 349.434 3.649 20 0 EHADLO c1csc(C[N@H+](Cc2nc3cccnc3s2)C[C@H]2CCCO2)c1 ZINC000341609308 1022547744 /nfs/dbraw/zinc/54/77/44/1022547744.db2.gz SPKYBOBMBSCVAL-CYBMUJFWSA-N 1 2 345.493 3.934 20 0 EHADLO c1csc(C[N@@H+](Cc2nc3cccnc3s2)C[C@H]2CCCO2)c1 ZINC000341609308 1022547757 /nfs/dbraw/zinc/54/77/57/1022547757.db2.gz SPKYBOBMBSCVAL-CYBMUJFWSA-N 1 2 345.493 3.934 20 0 EHADLO COc1c(F)cc(F)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438311501 1022550193 /nfs/dbraw/zinc/55/01/93/1022550193.db2.gz JVXGVEPZJNPTQP-UHFFFAOYSA-N 1 2 329.350 3.830 20 0 EHADLO COc1ccc2cc(C[N@H+](C)Cc3cn(C(C)(C)C)nn3)ccc2c1 ZINC000276746782 1022567686 /nfs/dbraw/zinc/56/76/86/1022567686.db2.gz KEABMYZDDGJPOE-UHFFFAOYSA-N 1 2 338.455 3.827 20 0 EHADLO COc1ccc2cc(C[N@@H+](C)Cc3cn(C(C)(C)C)nn3)ccc2c1 ZINC000276746782 1022567693 /nfs/dbraw/zinc/56/76/93/1022567693.db2.gz KEABMYZDDGJPOE-UHFFFAOYSA-N 1 2 338.455 3.827 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccccc2Cl)c1C ZINC000051335660 1022575873 /nfs/dbraw/zinc/57/58/73/1022575873.db2.gz ZCOGEPBISRCLSE-ZDUSSCGKSA-N 1 2 347.846 3.921 20 0 EHADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000517718092 1022588692 /nfs/dbraw/zinc/58/86/92/1022588692.db2.gz UMNIYCBDQIEWDI-IBGZPJMESA-N 1 2 336.435 3.731 20 0 EHADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000517718092 1022588700 /nfs/dbraw/zinc/58/87/00/1022588700.db2.gz UMNIYCBDQIEWDI-IBGZPJMESA-N 1 2 336.435 3.731 20 0 EHADLO CC[C@@H](C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002677 1022635493 /nfs/dbraw/zinc/63/54/93/1022635493.db2.gz GUJWHQJANDNQEN-VYDXJSESSA-N 1 2 329.444 3.620 20 0 EHADLO CC[C@@H](C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665002677 1022635502 /nfs/dbraw/zinc/63/55/02/1022635502.db2.gz GUJWHQJANDNQEN-VYDXJSESSA-N 1 2 329.444 3.620 20 0 EHADLO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000151406517 1022642442 /nfs/dbraw/zinc/64/24/42/1022642442.db2.gz YGJQJNDTSCQXJU-XLIONFOSSA-N 1 2 325.456 3.972 20 0 EHADLO Cc1cc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)nc(C2CCC2)[nH+]1 ZINC000894634723 1022646986 /nfs/dbraw/zinc/64/69/86/1022646986.db2.gz NVICQJVDBXCAFQ-YPMHNXCESA-N 1 2 329.366 3.599 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1Cl ZINC000607279350 1033070236 /nfs/dbraw/zinc/07/02/36/1033070236.db2.gz IYILZAOEECCVHR-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1Cl ZINC000607279350 1033070249 /nfs/dbraw/zinc/07/02/49/1033070249.db2.gz IYILZAOEECCVHR-QGZVFWFLSA-N 1 2 329.831 3.647 20 0 EHADLO CCN(C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664836391 1022657087 /nfs/dbraw/zinc/65/70/87/1022657087.db2.gz JOQPRZSOCJWPBE-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO CCN(C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000664836391 1022657089 /nfs/dbraw/zinc/65/70/89/1022657089.db2.gz JOQPRZSOCJWPBE-QFBILLFUSA-N 1 2 337.467 3.906 20 0 EHADLO Cc1csc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000303940895 1022662865 /nfs/dbraw/zinc/66/28/65/1022662865.db2.gz SPJCLCRKRMTMOG-MRXNPFEDSA-N 1 2 329.469 3.926 20 0 EHADLO Cc1csc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000303940895 1022662874 /nfs/dbraw/zinc/66/28/74/1022662874.db2.gz SPJCLCRKRMTMOG-MRXNPFEDSA-N 1 2 329.469 3.926 20 0 EHADLO C[C@@H]1CC[C@@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011517 1022702938 /nfs/dbraw/zinc/70/29/38/1022702938.db2.gz UXORDLBVCPIVEF-AHCXZYCDSA-N 1 2 341.455 3.935 20 0 EHADLO C[C@@H]1CC[C@@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)C1 ZINC000665011517 1022702952 /nfs/dbraw/zinc/70/29/52/1022702952.db2.gz UXORDLBVCPIVEF-AHCXZYCDSA-N 1 2 341.455 3.935 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838173 1022720896 /nfs/dbraw/zinc/72/08/96/1022720896.db2.gz RBLNTQXJQJXWPV-KBAYOESNSA-N 1 2 329.488 3.644 20 0 EHADLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838173 1022720908 /nfs/dbraw/zinc/72/09/08/1022720908.db2.gz RBLNTQXJQJXWPV-KBAYOESNSA-N 1 2 329.488 3.644 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510620005 1022768135 /nfs/dbraw/zinc/76/81/35/1022768135.db2.gz PWPNASCKJZAVSP-IAGOWNOFSA-N 1 2 342.266 3.862 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000510620005 1022768146 /nfs/dbraw/zinc/76/81/46/1022768146.db2.gz PWPNASCKJZAVSP-IAGOWNOFSA-N 1 2 342.266 3.862 20 0 EHADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC000088559152 1022790909 /nfs/dbraw/zinc/79/09/09/1022790909.db2.gz CBLXGEBWTCHNCR-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC000088559152 1022790918 /nfs/dbraw/zinc/79/09/18/1022790918.db2.gz CBLXGEBWTCHNCR-INIZCTEOSA-N 1 2 332.245 3.885 20 0 EHADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000506284739 1022805496 /nfs/dbraw/zinc/80/54/96/1022805496.db2.gz XGQHHRWTTMUENL-SNVBAGLBSA-N 1 2 335.753 3.744 20 0 EHADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000506284739 1022805512 /nfs/dbraw/zinc/80/55/12/1022805512.db2.gz XGQHHRWTTMUENL-SNVBAGLBSA-N 1 2 335.753 3.744 20 0 EHADLO CCCCCNC(=O)C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000517930520 1022843656 /nfs/dbraw/zinc/84/36/56/1022843656.db2.gz WJZQQDAMFMPOFN-UHFFFAOYSA-N 1 2 343.446 3.897 20 0 EHADLO CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000438600856 1022850380 /nfs/dbraw/zinc/85/03/80/1022850380.db2.gz GOCRHXNPUIXVNQ-HNNXBMFYSA-N 1 2 339.361 3.638 20 0 EHADLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c(-c2ccccc2)n1 ZINC000894757734 1022855752 /nfs/dbraw/zinc/85/57/52/1022855752.db2.gz SRVGOIPCKOVZEP-QGZVFWFLSA-N 1 2 337.427 3.599 20 0 EHADLO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)c(-c2ccccc2)n1 ZINC000894757734 1022855770 /nfs/dbraw/zinc/85/57/70/1022855770.db2.gz SRVGOIPCKOVZEP-QGZVFWFLSA-N 1 2 337.427 3.599 20 0 EHADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000426087286 1022867496 /nfs/dbraw/zinc/86/74/96/1022867496.db2.gz VSFFITYETFDPIB-BFHYXJOUSA-N 1 2 346.397 3.597 20 0 EHADLO O=c1[nH]c2ccc(C[N@@H+]3CCCn4c(cc5ccccc54)C3)cc2[nH]1 ZINC000894785249 1022908221 /nfs/dbraw/zinc/90/82/21/1022908221.db2.gz SVGKJGUOJABCDY-UHFFFAOYSA-N 1 2 332.407 3.629 20 0 EHADLO O=c1[nH]c2ccc(C[N@H+]3CCCn4c(cc5ccccc54)C3)cc2[nH]1 ZINC000894785249 1022908231 /nfs/dbraw/zinc/90/82/31/1022908231.db2.gz SVGKJGUOJABCDY-UHFFFAOYSA-N 1 2 332.407 3.629 20 0 EHADLO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2F)nc(N2CCCC2)n1 ZINC000293785085 1022912724 /nfs/dbraw/zinc/91/27/24/1022912724.db2.gz UBPCOLFTDFVQSC-CYBMUJFWSA-N 1 2 332.398 3.514 20 0 EHADLO C=Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000341671620 1022943090 /nfs/dbraw/zinc/94/30/90/1022943090.db2.gz DGEIOXLDKLLBJA-HNNXBMFYSA-N 1 2 326.465 3.910 20 0 EHADLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000441461799 1022951241 /nfs/dbraw/zinc/95/12/41/1022951241.db2.gz GZYUHYJKJNTXLF-HXUWFJFHSA-N 1 2 345.437 3.937 20 0 EHADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426719439 1022985524 /nfs/dbraw/zinc/98/55/24/1022985524.db2.gz GQIWLCRBDLHVSP-SFHVURJKSA-N 1 2 346.425 3.839 20 0 EHADLO O=C(C[C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000341680759 1022986055 /nfs/dbraw/zinc/98/60/55/1022986055.db2.gz UPEJCRPUQHIYTG-PKOBYXMFSA-N 1 2 340.492 3.586 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cncc(C(=O)OC(C)(C)C)c3)n2c1 ZINC000593946719 1033097946 /nfs/dbraw/zinc/09/79/46/1033097946.db2.gz JHNSOKMWGCLLCD-UHFFFAOYSA-N 1 2 338.411 3.605 20 0 EHADLO CCSCc1cc[nH+]c(NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000894364585 1022991140 /nfs/dbraw/zinc/99/11/40/1022991140.db2.gz PTPRHBWSCFDMPE-UHFFFAOYSA-N 1 2 337.489 3.614 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1Cl ZINC000926254796 1023018912 /nfs/dbraw/zinc/01/89/12/1023018912.db2.gz YVFOHVCQQMUAKB-SWLSCSKDSA-N 1 2 334.851 3.906 20 0 EHADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000189548012 1023049052 /nfs/dbraw/zinc/04/90/52/1023049052.db2.gz AKFVUYDFCUCPOQ-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO CC(C)n1cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)nn1 ZINC000449731218 1033104120 /nfs/dbraw/zinc/10/41/20/1033104120.db2.gz USBKCLJUDUERHW-UHFFFAOYSA-N 1 2 334.414 3.592 20 0 EHADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556513 1023095426 /nfs/dbraw/zinc/09/54/26/1023095426.db2.gz BKAPWLNELDKOEU-KBPBESRZSA-N 1 2 347.846 3.545 20 0 EHADLO CC(C)c1ccc(CC2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000509593839 1023098501 /nfs/dbraw/zinc/09/85/01/1023098501.db2.gz RHOIOLYOTHYKSK-UHFFFAOYSA-N 1 2 349.482 3.946 20 0 EHADLO FC(F)Cn1cc(C[N@H+](Cc2ccco2)Cc2ccccc2)cn1 ZINC000294836449 1023111004 /nfs/dbraw/zinc/11/10/04/1023111004.db2.gz HNABNARIJUDMOW-UHFFFAOYSA-N 1 2 331.366 3.944 20 0 EHADLO FC(F)Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cn1 ZINC000294836449 1023111011 /nfs/dbraw/zinc/11/10/11/1023111011.db2.gz HNABNARIJUDMOW-UHFFFAOYSA-N 1 2 331.366 3.944 20 0 EHADLO C[C@@]([NH2+]Cc1ccc(Cl)c(F)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000189960332 1023137788 /nfs/dbraw/zinc/13/77/88/1023137788.db2.gz ANDGMUMYUOWNBK-INIZCTEOSA-N 1 2 341.213 3.623 20 0 EHADLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1OC(C)C ZINC000519590919 1023147256 /nfs/dbraw/zinc/14/72/56/1023147256.db2.gz AWCSBTLJGYWFFU-MRXNPFEDSA-N 1 2 349.471 3.789 20 0 EHADLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1OC(C)C ZINC000519590919 1023147263 /nfs/dbraw/zinc/14/72/63/1023147263.db2.gz AWCSBTLJGYWFFU-MRXNPFEDSA-N 1 2 349.471 3.789 20 0 EHADLO CCCSCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441481610 1023152596 /nfs/dbraw/zinc/15/25/96/1023152596.db2.gz ODUXQELMVPMKNJ-QGZVFWFLSA-N 1 2 331.485 3.501 20 0 EHADLO O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366739076 1023162931 /nfs/dbraw/zinc/16/29/31/1023162931.db2.gz GYXNTQMCILOTIF-QGZVFWFLSA-N 1 2 345.402 3.699 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Oc1cc(Cl)cc(Br)c1 ZINC001280222058 1023188355 /nfs/dbraw/zinc/18/83/55/1023188355.db2.gz MWUQOGFJESOZBR-UHFFFAOYSA-N 1 2 343.608 3.685 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000130579691 1023198537 /nfs/dbraw/zinc/19/85/37/1023198537.db2.gz OEPPBKUTIKRSBK-GFCCVEGCSA-N 1 2 328.464 3.732 20 0 EHADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000130579691 1023198542 /nfs/dbraw/zinc/19/85/42/1023198542.db2.gz OEPPBKUTIKRSBK-GFCCVEGCSA-N 1 2 328.464 3.732 20 0 EHADLO Cc1cn2cc(NC(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)ccc2[nH+]1 ZINC000427102446 1023215420 /nfs/dbraw/zinc/21/54/20/1023215420.db2.gz SUHIQIXBHKGIHN-UHFFFAOYSA-N 1 2 345.406 3.902 20 0 EHADLO CNC(=O)c1cccc(CNc2cc[nH+]c3c(Cl)cccc23)c1 ZINC000341742224 1023220996 /nfs/dbraw/zinc/22/09/96/1023220996.db2.gz LAPXFFMLXYOBIU-UHFFFAOYSA-N 1 2 325.799 3.860 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1OC(F)F ZINC000341741352 1023228740 /nfs/dbraw/zinc/22/87/40/1023228740.db2.gz GADREPCKUSRLPN-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1OC(F)F ZINC000341741352 1023228752 /nfs/dbraw/zinc/22/87/52/1023228752.db2.gz GADREPCKUSRLPN-LBPRGKRZSA-N 1 2 334.370 3.851 20 0 EHADLO CC(C)c1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000518352403 1023255290 /nfs/dbraw/zinc/25/52/90/1023255290.db2.gz ABDGXNWXOYSNEJ-UHFFFAOYSA-N 1 2 330.863 3.576 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000190570039 1023283715 /nfs/dbraw/zinc/28/37/15/1023283715.db2.gz PSZDZUYVUPAARR-MRXNPFEDSA-N 1 2 334.508 3.836 20 0 EHADLO COc1ccc(-c2noc([C@H](C)[NH+]3CC(C)(C)OC(C)(C)C3)n2)cc1 ZINC000190568436 1023303865 /nfs/dbraw/zinc/30/38/65/1023303865.db2.gz OZWRUCHTVOALPB-ZDUSSCGKSA-N 1 2 345.443 3.696 20 0 EHADLO Cc1ncsc1CCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980397 1023336184 /nfs/dbraw/zinc/33/61/84/1023336184.db2.gz VQNDMJXOALNWCQ-HNNXBMFYSA-N 1 2 333.476 3.512 20 0 EHADLO CCn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C)n1 ZINC000891916475 1023396150 /nfs/dbraw/zinc/39/61/50/1023396150.db2.gz CAOWYSULPXOQGT-UHFFFAOYSA-N 1 2 325.412 3.712 20 0 EHADLO CCn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(C)n1 ZINC000891916475 1023396158 /nfs/dbraw/zinc/39/61/58/1023396158.db2.gz CAOWYSULPXOQGT-UHFFFAOYSA-N 1 2 325.412 3.712 20 0 EHADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341836659 1023428139 /nfs/dbraw/zinc/42/81/39/1023428139.db2.gz RSVWAEJQGGTHMI-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341836659 1023428140 /nfs/dbraw/zinc/42/81/40/1023428140.db2.gz RSVWAEJQGGTHMI-LJQANCHMSA-N 1 2 329.465 3.736 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000132678924 1023438125 /nfs/dbraw/zinc/43/81/25/1023438125.db2.gz NWDGNIVZWGOHCV-INIZCTEOSA-N 1 2 330.403 3.680 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000132678924 1023438129 /nfs/dbraw/zinc/43/81/29/1023438129.db2.gz NWDGNIVZWGOHCV-INIZCTEOSA-N 1 2 330.403 3.680 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C2CC2)cc1 ZINC000581993246 1023443834 /nfs/dbraw/zinc/44/38/34/1023443834.db2.gz GDJPYJVLMOKJCL-OAHLLOKOSA-N 1 2 338.455 3.868 20 0 EHADLO CC[C@H](C)[C@H]([NH2+]CCc1noc2ccccc12)C(=O)OC(C)(C)C ZINC000593971131 1033133384 /nfs/dbraw/zinc/13/33/84/1033133384.db2.gz UPXWEESSCNBZND-GUYCJALGSA-N 1 2 332.444 3.716 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000016420691 1023451579 /nfs/dbraw/zinc/45/15/79/1023451579.db2.gz JOPOAAPUHGOXKH-CQSZACIVSA-N 1 2 326.465 3.647 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000016420691 1023451583 /nfs/dbraw/zinc/45/15/83/1023451583.db2.gz JOPOAAPUHGOXKH-CQSZACIVSA-N 1 2 326.465 3.647 20 0 EHADLO CCO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000142112026 1023547158 /nfs/dbraw/zinc/54/71/58/1023547158.db2.gz PSIVFWNXTIGAKQ-GOSISDBHSA-N 1 2 339.370 3.728 20 0 EHADLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C)nc3scc(C)c31)CCC2 ZINC000535731209 1023595897 /nfs/dbraw/zinc/59/58/97/1023595897.db2.gz ITQAPFRYCMTEQE-CYBMUJFWSA-N 1 2 327.457 3.803 20 0 EHADLO Cc1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c(C)c[nH+]1 ZINC000535747999 1023604399 /nfs/dbraw/zinc/60/43/99/1023604399.db2.gz KDEMNGFKRNXZFK-UHFFFAOYSA-N 1 2 334.423 3.682 20 0 EHADLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3)C1)O[C@H](C)C2 ZINC000535782046 1023630682 /nfs/dbraw/zinc/63/06/82/1023630682.db2.gz DVKVCXAUEJDTSZ-QVKFZJNVSA-N 1 2 339.435 3.592 20 0 EHADLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3)C1)O[C@H](C)C2 ZINC000535782046 1023630684 /nfs/dbraw/zinc/63/06/84/1023630684.db2.gz DVKVCXAUEJDTSZ-QVKFZJNVSA-N 1 2 339.435 3.592 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C4CCC4)CCC3)cn2c1 ZINC000458238794 1023652819 /nfs/dbraw/zinc/65/28/19/1023652819.db2.gz NFNDOODGCRZWCG-UHFFFAOYSA-N 1 2 343.496 3.715 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1nnc2ccccn21 ZINC000341928287 1023703790 /nfs/dbraw/zinc/70/37/90/1023703790.db2.gz ZYUKIYFUKVDYIJ-OAHLLOKOSA-N 1 2 349.360 3.630 20 0 EHADLO CN1CC[N@H+](Cc2csc(-c3ccoc3)n2)Cc2ccccc21 ZINC000341974283 1023728068 /nfs/dbraw/zinc/72/80/68/1023728068.db2.gz POQDRTWTORUEIP-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CN1CC[N@@H+](Cc2csc(-c3ccoc3)n2)Cc2ccccc21 ZINC000341974283 1023728073 /nfs/dbraw/zinc/72/80/73/1023728073.db2.gz POQDRTWTORUEIP-UHFFFAOYSA-N 1 2 325.437 3.855 20 0 EHADLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000342062278 1023813267 /nfs/dbraw/zinc/81/32/67/1023813267.db2.gz BALRUWZUBPLVBX-ZDUSSCGKSA-N 1 2 340.452 3.850 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C(C)=C/c2ccc(F)cc2)c1C ZINC000176267417 1023876198 /nfs/dbraw/zinc/87/61/98/1023876198.db2.gz MIGPFTYMPFHAMB-JLHYYAGUSA-N 1 2 342.414 3.908 20 0 EHADLO COc1ccc(-c2nccc(N3CCC[C@H]3c3[nH]c(C)c(C)[nH+]3)n2)cc1 ZINC000895197905 1023954661 /nfs/dbraw/zinc/95/46/61/1023954661.db2.gz WXXFJHOXTCMJTH-KRWDZBQOSA-N 1 2 349.438 3.834 20 0 EHADLO CN(C)c1ccc(NCc2ccc(OCc3ccncc3)cc2)[nH+]c1 ZINC000150896474 1023979895 /nfs/dbraw/zinc/97/98/95/1023979895.db2.gz AOWFQWVCAGYSKA-UHFFFAOYSA-N 1 2 334.423 3.734 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000192348510 1023993349 /nfs/dbraw/zinc/99/33/49/1023993349.db2.gz NXQVJRVJTUEPSE-SJORKVTESA-N 1 2 334.508 3.693 20 0 EHADLO O=C(NCCCCC1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434410813 1024004604 /nfs/dbraw/zinc/00/46/04/1024004604.db2.gz FUGRFOUZSGIYFJ-GOSISDBHSA-N 1 2 331.460 3.605 20 0 EHADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CC2(CCCC2)O1 ZINC000190966925 1024004723 /nfs/dbraw/zinc/00/47/23/1024004723.db2.gz NMUNTYFZRXNYAA-UHFFFAOYSA-N 1 2 345.418 3.799 20 0 EHADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CC2(CCCC2)O1 ZINC000190966925 1024004740 /nfs/dbraw/zinc/00/47/40/1024004740.db2.gz NMUNTYFZRXNYAA-UHFFFAOYSA-N 1 2 345.418 3.799 20 0 EHADLO CCc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000474074839 1024009389 /nfs/dbraw/zinc/00/93/89/1024009389.db2.gz MFTYVHUFENLSAO-UHFFFAOYSA-N 1 2 329.350 3.824 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000522189631 1024013175 /nfs/dbraw/zinc/01/31/75/1024013175.db2.gz IVLJFSCROXZFRU-FQEVSTJZSA-N 1 2 349.434 3.600 20 0 EHADLO C[C@@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)CC(C)(C)O1 ZINC000065224302 1024019199 /nfs/dbraw/zinc/01/91/99/1024019199.db2.gz GXAQLUYOYRUPFV-LLVKDONJSA-N 1 2 341.427 3.808 20 0 EHADLO C[C@@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)CC(C)(C)O1 ZINC000065224302 1024019215 /nfs/dbraw/zinc/01/92/15/1024019215.db2.gz GXAQLUYOYRUPFV-LLVKDONJSA-N 1 2 341.427 3.808 20 0 EHADLO CCc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)oc1CC ZINC000513993760 1024023010 /nfs/dbraw/zinc/02/30/10/1024023010.db2.gz FHCBWBPQIGQRBG-INIZCTEOSA-N 1 2 346.858 3.845 20 0 EHADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513988860 1024031228 /nfs/dbraw/zinc/03/12/28/1024031228.db2.gz DTPZNZHQDFBOJD-KBXCAEBGSA-N 1 2 328.843 3.617 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999603 1024040595 /nfs/dbraw/zinc/04/05/95/1024040595.db2.gz OBFJSQXOMGQWLQ-GFCCVEGCSA-N 1 2 341.263 3.842 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1F ZINC000192956037 1024043812 /nfs/dbraw/zinc/04/38/12/1024043812.db2.gz FHVHLOIERCOTTD-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1F ZINC000192956037 1024043827 /nfs/dbraw/zinc/04/38/27/1024043827.db2.gz FHVHLOIERCOTTD-HXUWFJFHSA-N 1 2 327.399 3.508 20 0 EHADLO O=C(CCc1cccs1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000036140552 1024071717 /nfs/dbraw/zinc/07/17/17/1024071717.db2.gz KAOVQXOMUZPBGP-XBXARRHUSA-N 1 2 340.492 3.538 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000434484424 1024074790 /nfs/dbraw/zinc/07/47/90/1024074790.db2.gz PUOVATVFXMFHHZ-CYBMUJFWSA-N 1 2 332.835 3.712 20 0 EHADLO CN(C[C@@H]1CCOC1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443513137 1024079490 /nfs/dbraw/zinc/07/94/90/1024079490.db2.gz VMOXGZPARKNZEM-JTQLQIEISA-N 1 2 339.208 3.609 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000151351667 1024102357 /nfs/dbraw/zinc/10/23/57/1024102357.db2.gz WPPVPFLHKMYRLV-RDJZCZTQSA-N 1 2 339.345 3.893 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000614699192 1024102423 /nfs/dbraw/zinc/10/24/23/1024102423.db2.gz MXVJSVMALQWJQZ-HZPDHXFCSA-N 1 2 343.858 3.616 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1occc1Br ZINC000366586547 1024124021 /nfs/dbraw/zinc/12/40/21/1024124021.db2.gz RYPHSVGFIVHEPG-UHFFFAOYSA-N 1 2 346.184 3.993 20 0 EHADLO Cc1nnsc1C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527900657 1033188668 /nfs/dbraw/zinc/18/86/68/1033188668.db2.gz HWSLXERPEOSQEM-LURJTMIESA-N 1 2 348.216 3.738 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2ccc(F)cc2)CC1 ZINC000342133586 1024203046 /nfs/dbraw/zinc/20/30/46/1024203046.db2.gz RGEYHSXLJBDQDR-UHFFFAOYSA-N 1 2 339.345 3.821 20 0 EHADLO CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H](CC)C(=O)OCC ZINC000342134755 1024205521 /nfs/dbraw/zinc/20/55/21/1024205521.db2.gz RWNMBQJVRPVIIY-AWEZNQCLSA-N 1 2 332.366 3.654 20 0 EHADLO CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H](CC)C(=O)OCC ZINC000342134755 1024205535 /nfs/dbraw/zinc/20/55/35/1024205535.db2.gz RWNMBQJVRPVIIY-AWEZNQCLSA-N 1 2 332.366 3.654 20 0 EHADLO O=C(C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179559 1024205610 /nfs/dbraw/zinc/20/56/10/1024205610.db2.gz JJMWNTGNCVHWRW-ZIAGYGMSSA-N 1 2 343.439 3.847 20 0 EHADLO O=C(C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000514179559 1024205622 /nfs/dbraw/zinc/20/56/22/1024205622.db2.gz JJMWNTGNCVHWRW-ZIAGYGMSSA-N 1 2 343.439 3.847 20 0 EHADLO C[C@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)CC[S@]1=O ZINC000277205892 1024205848 /nfs/dbraw/zinc/20/58/48/1024205848.db2.gz MYDJAOQQLQCKBQ-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)CC[S@]1=O ZINC000277205892 1024205850 /nfs/dbraw/zinc/20/58/50/1024205850.db2.gz MYDJAOQQLQCKBQ-QMHKHESXSA-N 1 2 329.465 3.822 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000614701038 1024206400 /nfs/dbraw/zinc/20/64/00/1024206400.db2.gz QBDBYBUIIPODNL-AEFFLSMTSA-N 1 2 345.874 3.797 20 0 EHADLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H]1[C@H]1CCCO1 ZINC000329850646 1024223794 /nfs/dbraw/zinc/22/37/94/1024223794.db2.gz QGTCPXXPXZSZPH-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H]1[C@H]1CCCO1 ZINC000329850646 1024223806 /nfs/dbraw/zinc/22/38/06/1024223806.db2.gz QGTCPXXPXZSZPH-GDBMZVCRSA-N 1 2 347.846 3.779 20 0 EHADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000680382458 1024278403 /nfs/dbraw/zinc/27/84/03/1024278403.db2.gz VNBMWBNURRHHAS-VIFPVBQESA-N 1 2 349.232 3.552 20 0 EHADLO O=C(c1cc2c(s1)CCCC2)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505467543 1024290260 /nfs/dbraw/zinc/29/02/60/1024290260.db2.gz GPUQHLGADLLVAJ-INIZCTEOSA-N 1 2 344.455 3.553 20 0 EHADLO Cc1nc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(C)s1 ZINC000434685627 1024296634 /nfs/dbraw/zinc/29/66/34/1024296634.db2.gz PDDDZJSMHBQNKV-UHFFFAOYSA-N 1 2 330.501 3.672 20 0 EHADLO C[C@@H](CCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505477018 1024321052 /nfs/dbraw/zinc/32/10/52/1024321052.db2.gz QHZPJGDWCHVYDO-JXFKEZNVSA-N 1 2 340.442 3.883 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000342179895 1024323422 /nfs/dbraw/zinc/32/34/22/1024323422.db2.gz YAPGFANABPWAEC-PBHICJAKSA-N 1 2 327.428 3.689 20 0 EHADLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000342179895 1024323436 /nfs/dbraw/zinc/32/34/36/1024323436.db2.gz YAPGFANABPWAEC-PBHICJAKSA-N 1 2 327.428 3.689 20 0 EHADLO Brc1cncc(Br)c1C[N@@H+]1CCC2(CC2)C1 ZINC001137538061 1024325678 /nfs/dbraw/zinc/32/56/78/1024325678.db2.gz IELKJMJFQSMLRZ-UHFFFAOYSA-N 1 2 346.066 3.593 20 0 EHADLO Brc1cncc(Br)c1C[N@H+]1CCC2(CC2)C1 ZINC001137538061 1024325693 /nfs/dbraw/zinc/32/56/93/1024325693.db2.gz IELKJMJFQSMLRZ-UHFFFAOYSA-N 1 2 346.066 3.593 20 0 EHADLO O=C(c1cc2sccc2[nH]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000430087491 1024327702 /nfs/dbraw/zinc/32/77/02/1024327702.db2.gz UNKSCVTZMQFPSO-UHFFFAOYSA-N 1 2 342.468 3.759 20 0 EHADLO FC(F)(F)c1csc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)n1 ZINC000342190044 1024362807 /nfs/dbraw/zinc/36/28/07/1024362807.db2.gz GWLOTUFOWCCJSF-UHFFFAOYSA-N 1 2 342.342 3.670 20 0 EHADLO COc1cccc(-c2cc(C[NH2+]Cc3cnc(C4CC4)o3)on2)c1 ZINC000897841107 1033205516 /nfs/dbraw/zinc/20/55/16/1033205516.db2.gz IJWDZJAQZMIADB-UHFFFAOYSA-N 1 2 325.368 3.505 20 0 EHADLO C[C@H](Cc1ccoc1)[NH2+]Cc1nc2cccc(Br)c2[nH]1 ZINC000449780260 1033206312 /nfs/dbraw/zinc/20/63/12/1033206312.db2.gz YJVUSBWRFIHWPD-SNVBAGLBSA-N 1 2 334.217 3.639 20 0 EHADLO Cc1cc(CNc2ccc3c(c2)CCN(C)C3=O)c2c([nH+]1)CCCC2 ZINC000895356164 1024380931 /nfs/dbraw/zinc/38/09/31/1024380931.db2.gz TUPXKCODKNMCCS-UHFFFAOYSA-N 1 2 335.451 3.509 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000280881668 1024392751 /nfs/dbraw/zinc/39/27/51/1024392751.db2.gz CRXNUWCACSXVEW-SFHVURJKSA-N 1 2 339.487 3.625 20 0 EHADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000280881668 1024392769 /nfs/dbraw/zinc/39/27/69/1024392769.db2.gz CRXNUWCACSXVEW-SFHVURJKSA-N 1 2 339.487 3.625 20 0 EHADLO CCSCC[C@H](C)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425182042 1024416401 /nfs/dbraw/zinc/41/64/01/1024416401.db2.gz YVZOCLCIHRHJND-DOTOQJQBSA-N 1 2 345.512 3.922 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000346132581 1024436061 /nfs/dbraw/zinc/43/60/61/1024436061.db2.gz CGFCHJYFZSJWSV-MRXNPFEDSA-N 1 2 333.435 3.597 20 0 EHADLO CCc1cnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000346142095 1024444157 /nfs/dbraw/zinc/44/41/57/1024444157.db2.gz ONNLFCUUCLZSIG-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO CCc1cnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000346142095 1024444164 /nfs/dbraw/zinc/44/41/64/1024444164.db2.gz ONNLFCUUCLZSIG-HNNXBMFYSA-N 1 2 330.453 3.814 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)COc3cccc(Cl)c3C)cc2[nH+]1 ZINC000346152295 1024452868 /nfs/dbraw/zinc/45/28/68/1024452868.db2.gz ZXKRLRTXERRXMY-UHFFFAOYSA-N 1 2 329.787 3.851 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504925 1024460311 /nfs/dbraw/zinc/46/03/11/1024460311.db2.gz PLHUJFIMHZBFEN-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001167504925 1024460314 /nfs/dbraw/zinc/46/03/14/1024460314.db2.gz PLHUJFIMHZBFEN-YWZLYKJASA-N 1 2 336.414 3.990 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000008473687 1024473361 /nfs/dbraw/zinc/47/33/61/1024473361.db2.gz YWDFSJBRGVGOER-LLVKDONJSA-N 1 2 338.860 3.869 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000008473687 1024473362 /nfs/dbraw/zinc/47/33/62/1024473362.db2.gz YWDFSJBRGVGOER-LLVKDONJSA-N 1 2 338.860 3.869 20 0 EHADLO O=C(CCSCc1ccccc1)NCCCCNc1cccc[nH+]1 ZINC000280964338 1024496628 /nfs/dbraw/zinc/49/66/28/1024496628.db2.gz RGUOFDWKBHUKMZ-UHFFFAOYSA-N 1 2 343.496 3.713 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000895423152 1024499244 /nfs/dbraw/zinc/49/92/44/1024499244.db2.gz APIUEIXJXIMYPH-UHFFFAOYSA-N 1 2 326.227 3.550 20 0 EHADLO Cc1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cnc1F ZINC000895449888 1024514498 /nfs/dbraw/zinc/51/44/98/1024514498.db2.gz VGMHYDAUWIFHMY-CYBMUJFWSA-N 1 2 329.202 3.659 20 0 EHADLO Cc1cc(N)nc(SCc2c(F)cccc2Br)[nH+]1 ZINC000092854644 1024527109 /nfs/dbraw/zinc/52/71/09/1024527109.db2.gz OWQYMDIGMZOELQ-UHFFFAOYSA-N 1 2 328.210 3.561 20 0 EHADLO O=C(c1ccccc1)N1CC[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000282309050 1024533097 /nfs/dbraw/zinc/53/30/97/1024533097.db2.gz YCFDVTRSPYTCOA-HNNXBMFYSA-N 1 2 337.448 3.589 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000434986904 1024544036 /nfs/dbraw/zinc/54/40/36/1024544036.db2.gz KERNMANFYCUAJQ-UHFFFAOYSA-N 1 2 332.419 3.694 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000434986904 1024544043 /nfs/dbraw/zinc/54/40/43/1024544043.db2.gz KERNMANFYCUAJQ-UHFFFAOYSA-N 1 2 332.419 3.694 20 0 EHADLO Cc1cccc(-c2nsc(NCc3nc(C[NH+](C)C)cs3)n2)c1 ZINC000895479787 1024552431 /nfs/dbraw/zinc/55/24/31/1024552431.db2.gz VMPHJVTZIKSJOJ-UHFFFAOYSA-N 1 2 345.497 3.644 20 0 EHADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349663980 1024559423 /nfs/dbraw/zinc/55/94/23/1024559423.db2.gz FXPFRTWHDORPKA-NSHDSACASA-N 1 2 337.876 3.615 20 0 EHADLO CCOCc1cc(C[N@@H+]2CCOc3c(F)cccc3C2)ccc1OC ZINC000435038281 1024560647 /nfs/dbraw/zinc/56/06/47/1024560647.db2.gz QQBWQZAXDHWJCN-UHFFFAOYSA-N 1 2 345.414 3.765 20 0 EHADLO CCOCc1cc(C[N@H+]2CCOc3c(F)cccc3C2)ccc1OC ZINC000435038281 1024560654 /nfs/dbraw/zinc/56/06/54/1024560654.db2.gz QQBWQZAXDHWJCN-UHFFFAOYSA-N 1 2 345.414 3.765 20 0 EHADLO Fc1ccc(/C=C/C[NH2+]Cc2noc(-c3ccccc3F)n2)c(F)c1 ZINC000435028629 1024568994 /nfs/dbraw/zinc/56/89/94/1024568994.db2.gz JSWXOSNTTKIQHN-ONEGZZNKSA-N 1 2 345.324 3.957 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(C(F)(F)F)c1 ZINC000343334382 1024571400 /nfs/dbraw/zinc/57/14/00/1024571400.db2.gz BEAFKQWNFVPBOQ-UHFFFAOYSA-N 1 2 346.312 3.598 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1Br ZINC000342254283 1024576831 /nfs/dbraw/zinc/57/68/31/1024576831.db2.gz BQMZRFRUKJNGEO-AWEZNQCLSA-N 1 2 349.276 3.618 20 0 EHADLO Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000895513575 1024578320 /nfs/dbraw/zinc/57/83/20/1024578320.db2.gz HRUYQSRSTNEGPF-QGZVFWFLSA-N 1 2 347.480 3.645 20 0 EHADLO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000895538346 1024595202 /nfs/dbraw/zinc/59/52/02/1024595202.db2.gz DAAAYAHPALLPBN-UHFFFAOYSA-N 1 2 326.227 3.860 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCc2ccccc2C1 ZINC000346280608 1024597132 /nfs/dbraw/zinc/59/71/32/1024597132.db2.gz VYWWXKDPSHJBKQ-UHFFFAOYSA-N 1 2 346.434 3.530 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC[C@H]1C(=O)OC(C)(C)C ZINC000895593962 1024650327 /nfs/dbraw/zinc/65/03/27/1024650327.db2.gz CFVFRXYICWRUSL-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC[C@H]1C(=O)OC(C)(C)C ZINC000895593962 1024650335 /nfs/dbraw/zinc/65/03/35/1024650335.db2.gz CFVFRXYICWRUSL-UONOGXRCSA-N 1 2 336.476 3.772 20 0 EHADLO CC1(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CCCC1 ZINC000614671971 1024655686 /nfs/dbraw/zinc/65/56/86/1024655686.db2.gz LGYSGKJSGKPGST-UHFFFAOYSA-N 1 2 335.517 3.578 20 0 EHADLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000281104903 1024659991 /nfs/dbraw/zinc/65/99/91/1024659991.db2.gz LGRYAVMUYZHIEZ-SECBINFHSA-N 1 2 341.304 3.865 20 0 EHADLO Cc1ccc(-c2ccnn2C)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000281158317 1024716986 /nfs/dbraw/zinc/71/69/86/1024716986.db2.gz BHNZDQJZOIDCBH-UHFFFAOYSA-N 1 2 347.466 3.871 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)n1 ZINC000892104523 1024719115 /nfs/dbraw/zinc/71/91/15/1024719115.db2.gz SNWUSAVCGFDXAS-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO Cc1cccc(C[N@H+](C)Cc2ccc(C(F)(F)F)nc2N(C)C)n1 ZINC000892104523 1024719125 /nfs/dbraw/zinc/71/91/25/1024719125.db2.gz SNWUSAVCGFDXAS-UHFFFAOYSA-N 1 2 338.377 3.502 20 0 EHADLO COc1cccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000342285795 1024728645 /nfs/dbraw/zinc/72/86/45/1024728645.db2.gz JHOOWFZKEFVGLA-UHFFFAOYSA-N 1 2 332.272 3.677 20 0 EHADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000346435052 1024730858 /nfs/dbraw/zinc/73/08/58/1024730858.db2.gz UCAYJEZEMHUZPW-PXAZEXFGSA-N 1 2 331.847 3.926 20 0 EHADLO Cc1ncsc1C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000427712574 1024759716 /nfs/dbraw/zinc/75/97/16/1024759716.db2.gz WWTNMNZGFUCILF-QMMMGPOBSA-N 1 2 330.226 3.599 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277363783 1024758444 /nfs/dbraw/zinc/75/84/44/1024758444.db2.gz FARKREWVCRKRFR-FYSMJZIKSA-N 1 2 343.492 3.705 20 0 EHADLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277363783 1024758454 /nfs/dbraw/zinc/75/84/54/1024758454.db2.gz FARKREWVCRKRFR-FYSMJZIKSA-N 1 2 343.492 3.705 20 0 EHADLO C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000427762793 1024780373 /nfs/dbraw/zinc/78/03/73/1024780373.db2.gz QHDUFUMCSFQAEG-LBPRGKRZSA-N 1 2 325.334 3.723 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000425344106 1024811070 /nfs/dbraw/zinc/81/10/70/1024811070.db2.gz IUWCZDQOEAJVIT-NRFANRHFSA-N 1 2 325.865 3.608 20 0 EHADLO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000346515994 1024855516 /nfs/dbraw/zinc/85/55/16/1024855516.db2.gz WKRFADPYZVIHJK-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO CC(C)OCc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000346515994 1024855531 /nfs/dbraw/zinc/85/55/31/1024855531.db2.gz WKRFADPYZVIHJK-INIZCTEOSA-N 1 2 344.455 3.514 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1OCc1ccccc1 ZINC000508027427 1024855837 /nfs/dbraw/zinc/85/58/37/1024855837.db2.gz QHJWOCIREWWLLV-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1OCc1ccccc1 ZINC000508027427 1024855847 /nfs/dbraw/zinc/85/58/47/1024855847.db2.gz QHJWOCIREWWLLV-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)n1cc[nH+]c1 ZINC000563210832 1024858931 /nfs/dbraw/zinc/85/89/31/1024858931.db2.gz SLIPAFQSJLBJBL-DZGCQCFKSA-N 1 2 340.452 3.808 20 0 EHADLO OC1(C2(CNc3cc[nH+]c4c(Cl)cccc34)CC2)CCOCC1 ZINC000895816953 1024868733 /nfs/dbraw/zinc/86/87/33/1024868733.db2.gz JFZCATSLRBJSMA-UHFFFAOYSA-N 1 2 332.831 3.622 20 0 EHADLO COc1sc(C[NH+]2CC(CC(F)F)C2)cc1Br ZINC000425367497 1024875876 /nfs/dbraw/zinc/87/58/76/1024875876.db2.gz SZSURJSIMNJLDR-UHFFFAOYSA-N 1 2 326.206 3.606 20 0 EHADLO COc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)nc1 ZINC000895833448 1024898278 /nfs/dbraw/zinc/89/82/78/1024898278.db2.gz XFKMJFFGBQEQOJ-UHFFFAOYSA-N 1 2 328.746 3.635 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](Cc2nccc3c2CCCC3)CCO1 ZINC000895850391 1024912763 /nfs/dbraw/zinc/91/27/63/1024912763.db2.gz IGNSGHBYSZZONW-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](Cc2nccc3c2CCCC3)CCO1 ZINC000895850391 1024912779 /nfs/dbraw/zinc/91/27/79/1024912779.db2.gz IGNSGHBYSZZONW-OAQYLSRUSA-N 1 2 338.451 3.543 20 0 EHADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000053124780 1024934505 /nfs/dbraw/zinc/93/45/05/1024934505.db2.gz IHHNLBBAQJERIY-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000053124780 1024934515 /nfs/dbraw/zinc/93/45/15/1024934515.db2.gz IHHNLBBAQJERIY-AWEZNQCLSA-N 1 2 330.403 3.856 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC(C)C)c2C1 ZINC000508173300 1024946969 /nfs/dbraw/zinc/94/69/69/1024946969.db2.gz FAJXATJPYWMNAJ-HNNXBMFYSA-N 1 2 339.483 3.777 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC(C)C)c2C1 ZINC000508173300 1024946975 /nfs/dbraw/zinc/94/69/75/1024946975.db2.gz FAJXATJPYWMNAJ-HNNXBMFYSA-N 1 2 339.483 3.777 20 0 EHADLO Cc1nn2c(C[NH2+]Cc3nc(C(C)C)c(C)s3)c(C)nc2s1 ZINC000346653113 1024964371 /nfs/dbraw/zinc/96/43/71/1024964371.db2.gz ISHVVLASJYLINZ-UHFFFAOYSA-N 1 2 335.502 3.586 20 0 EHADLO CC(C)n1ccnc1C[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000657310590 1024970920 /nfs/dbraw/zinc/97/09/20/1024970920.db2.gz OWXOXMATRBMAQB-UHFFFAOYSA-N 1 2 336.439 3.728 20 0 EHADLO Cc1nsc(C)c1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000515032792 1024974796 /nfs/dbraw/zinc/97/47/96/1024974796.db2.gz SXTXMUKZNRSTCO-TWGQIWQCSA-N 1 2 327.497 3.591 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2ccn(C(F)F)n2)c2ccc(F)cc2O1 ZINC000346681660 1024988190 /nfs/dbraw/zinc/98/81/90/1024988190.db2.gz YYBREUWTMJLQSJ-ZDUSSCGKSA-N 1 2 325.334 3.809 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000508273929 1025001438 /nfs/dbraw/zinc/00/14/38/1025001438.db2.gz LQIYNHCQYZIUDP-QWUACUGRSA-N 1 2 346.434 3.722 20 0 EHADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157660656 1025005415 /nfs/dbraw/zinc/00/54/15/1025005415.db2.gz CVDFQGQEBPWFSW-INIZCTEOSA-N 1 2 329.419 3.698 20 0 EHADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157660656 1025005423 /nfs/dbraw/zinc/00/54/23/1025005423.db2.gz CVDFQGQEBPWFSW-INIZCTEOSA-N 1 2 329.419 3.698 20 0 EHADLO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000428145253 1025007787 /nfs/dbraw/zinc/00/77/87/1025007787.db2.gz KNSPDKTYCYXGGB-NWDGAFQWSA-N 1 2 338.329 3.791 20 0 EHADLO O=C([C@@H]1C[C@H]1c1ccsc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000529009192 1033254585 /nfs/dbraw/zinc/25/45/85/1033254585.db2.gz MAZTWPFYTXPXHV-ZWKOTPCHSA-N 1 2 343.496 3.767 20 0 EHADLO CCOc1ccc(C[N@H+](Cc2nc(C(F)F)no2)C(C)C)cc1 ZINC000425396618 1025026797 /nfs/dbraw/zinc/02/67/97/1025026797.db2.gz KXGCSHCMFYMPIG-UHFFFAOYSA-N 1 2 325.359 3.817 20 0 EHADLO CCOc1ccc(C[N@@H+](Cc2nc(C(F)F)no2)C(C)C)cc1 ZINC000425396618 1025026809 /nfs/dbraw/zinc/02/68/09/1025026809.db2.gz KXGCSHCMFYMPIG-UHFFFAOYSA-N 1 2 325.359 3.817 20 0 EHADLO CCc1nc(C)c(C[N@@H+]2CCc3cccc(Br)c3C2)o1 ZINC000428209123 1025048601 /nfs/dbraw/zinc/04/86/01/1025048601.db2.gz QKXNPAQJGDWCLF-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO CCc1nc(C)c(C[N@H+]2CCc3cccc(Br)c3C2)o1 ZINC000428209123 1025048617 /nfs/dbraw/zinc/04/86/17/1025048617.db2.gz QKXNPAQJGDWCLF-UHFFFAOYSA-N 1 2 335.245 3.866 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435675054 1025075149 /nfs/dbraw/zinc/07/51/49/1025075149.db2.gz SWUZDFCTHXBUCH-MBOZVWFJSA-N 1 2 341.426 3.836 20 0 EHADLO CC1(C)C[NH+](CC(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000515179876 1025076311 /nfs/dbraw/zinc/07/63/11/1025076311.db2.gz PUYPWBRVKITJAX-UHFFFAOYSA-N 1 2 338.451 3.684 20 0 EHADLO CCN(Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022620 1025088207 /nfs/dbraw/zinc/08/82/07/1025088207.db2.gz AUZDEVRHKHOLJP-UHFFFAOYSA-N 1 2 348.450 3.663 20 0 EHADLO CCOc1ccc(Oc2cc(C[NH2+]Cc3nc(C)c[nH]3)ccn2)cc1 ZINC000657316652 1025099554 /nfs/dbraw/zinc/09/95/54/1025099554.db2.gz JEHNRZVMUFFBOT-UHFFFAOYSA-N 1 2 338.411 3.594 20 0 EHADLO CN=[S@](C)(=O)c1cccc(NCc2cc(C)[nH+]c3c2CCCC3)c1 ZINC000896037929 1025101146 /nfs/dbraw/zinc/10/11/46/1025101146.db2.gz DFYZHKRERAYYAX-XMMPIXPASA-N 1 2 343.496 3.967 20 0 EHADLO O=C(CCn1cc[nH+]c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000346768446 1025105227 /nfs/dbraw/zinc/10/52/27/1025105227.db2.gz NPSUTZBEYXGOKV-UHFFFAOYSA-N 1 2 329.787 3.753 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cc(Cl)ccn1 ZINC000342373678 1025105841 /nfs/dbraw/zinc/10/58/41/1025105841.db2.gz MSRXARKHUBEMEY-AWEZNQCLSA-N 1 2 326.787 3.619 20 0 EHADLO CCc1ccnc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000520901328 1025121702 /nfs/dbraw/zinc/12/17/02/1025121702.db2.gz FHFKJRMCCFPRHE-UHFFFAOYSA-N 1 2 345.406 3.530 20 0 EHADLO C[C@H](CC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)n1cc[nH+]c1 ZINC000582065704 1025139131 /nfs/dbraw/zinc/13/91/31/1025139131.db2.gz BJKMMISLXDISFA-UKPHBRMFSA-N 1 2 331.847 3.940 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](c3ccncc3)C3CCCC3)ccc2[nH+]1 ZINC000896095433 1025149972 /nfs/dbraw/zinc/14/99/72/1025149972.db2.gz WALMFGDVEPCZIA-IBGZPJMESA-N 1 2 334.423 3.950 20 0 EHADLO C[N@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000157859946 1025175083 /nfs/dbraw/zinc/17/50/83/1025175083.db2.gz YIWFRIYAUIWVAZ-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000157859946 1025175088 /nfs/dbraw/zinc/17/50/88/1025175088.db2.gz YIWFRIYAUIWVAZ-UHFFFAOYSA-N 1 2 344.267 3.563 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc2[nH]ccc21 ZINC000191881612 1025197935 /nfs/dbraw/zinc/19/79/35/1025197935.db2.gz QXRXNSAGBDGRKH-UHFFFAOYSA-N 1 2 339.443 3.871 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000521093241 1025207857 /nfs/dbraw/zinc/20/78/57/1025207857.db2.gz JDHUDAGRMWOZCK-KRWDZBQOSA-N 1 2 347.340 3.536 20 0 EHADLO O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000366918233 1025219304 /nfs/dbraw/zinc/21/93/04/1025219304.db2.gz VCVBBJBYSQXUOT-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000366918233 1025219313 /nfs/dbraw/zinc/21/93/13/1025219313.db2.gz VCVBBJBYSQXUOT-UHFFFAOYSA-N 1 2 338.436 3.553 20 0 EHADLO CCCCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442246357 1025224657 /nfs/dbraw/zinc/22/46/57/1025224657.db2.gz ZXGUQRQKSWDABG-GOSISDBHSA-N 1 2 328.460 3.683 20 0 EHADLO COc1nc(C)cc(C)c1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000346842976 1025233146 /nfs/dbraw/zinc/23/31/46/1025233146.db2.gz KROJBHVQJHBLTO-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO COc1nc(C)cc(C)c1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000346842976 1025233151 /nfs/dbraw/zinc/23/31/51/1025233151.db2.gz KROJBHVQJHBLTO-APWZRJJASA-N 1 2 326.440 3.669 20 0 EHADLO CN1CCc2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc21 ZINC000435951961 1025236365 /nfs/dbraw/zinc/23/63/65/1025236365.db2.gz HCBGZRNZNDNLEB-UHFFFAOYSA-N 1 2 343.390 3.582 20 0 EHADLO Cc1cc(C)c(NC(=O)NC2CC(OCc3ccccc3)C2)c(C)[nH+]1 ZINC000515460592 1025256945 /nfs/dbraw/zinc/25/69/45/1025256945.db2.gz LNEQJJFUKULEPZ-UHFFFAOYSA-N 1 2 339.439 3.876 20 0 EHADLO O=C(Nc1cc(Cl)ccn1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346887325 1025258103 /nfs/dbraw/zinc/25/81/03/1025258103.db2.gz SRJSULXNBLPCNQ-UHFFFAOYSA-N 1 2 347.850 3.656 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000281585354 1025264427 /nfs/dbraw/zinc/26/44/27/1025264427.db2.gz DPBJNGZQBRSBEA-CJNGLKHVSA-N 1 2 329.444 3.970 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000521198932 1025272376 /nfs/dbraw/zinc/27/23/76/1025272376.db2.gz ZMRQXAFBTCLAGK-INIZCTEOSA-N 1 2 328.456 3.755 20 0 EHADLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000521198932 1025272382 /nfs/dbraw/zinc/27/23/82/1025272382.db2.gz ZMRQXAFBTCLAGK-INIZCTEOSA-N 1 2 328.456 3.755 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000281611188 1025274954 /nfs/dbraw/zinc/27/49/54/1025274954.db2.gz ZCSNIXDIIHWDRU-LIRRHRJNSA-N 1 2 337.398 3.899 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000102400314 1025335919 /nfs/dbraw/zinc/33/59/19/1025335919.db2.gz UKFSYSTYIXXOHZ-HIFRSBDPSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)oc1C ZINC000102400314 1025335924 /nfs/dbraw/zinc/33/59/24/1025335924.db2.gz UKFSYSTYIXXOHZ-HIFRSBDPSA-N 1 2 337.464 3.559 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)cn1 ZINC001143436929 1025336208 /nfs/dbraw/zinc/33/62/08/1025336208.db2.gz SWFFKDSSYOFCJZ-UHFFFAOYSA-N 1 2 345.752 3.969 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)cn1 ZINC001143436929 1025336220 /nfs/dbraw/zinc/33/62/20/1025336220.db2.gz SWFFKDSSYOFCJZ-UHFFFAOYSA-N 1 2 345.752 3.969 20 0 EHADLO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000515554410 1025345854 /nfs/dbraw/zinc/34/58/54/1025345854.db2.gz CEBMVIWJUFLVSS-OAHLLOKOSA-N 1 2 329.444 3.583 20 0 EHADLO COc1cccc(C[C@H]2CCC[N@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000515554410 1025345869 /nfs/dbraw/zinc/34/58/69/1025345869.db2.gz CEBMVIWJUFLVSS-OAHLLOKOSA-N 1 2 329.444 3.583 20 0 EHADLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnccc3C)n2)cc1F ZINC000348535595 1025347442 /nfs/dbraw/zinc/34/74/42/1025347442.db2.gz ZMQLTKDBXWIIEI-CYBMUJFWSA-N 1 2 326.375 3.738 20 0 EHADLO CCc1noc([C@H]2CC[C@@H](Nc3nc4ccccc4n4c[nH+]cc34)C2)n1 ZINC000896350315 1025372660 /nfs/dbraw/zinc/37/26/60/1025372660.db2.gz SIZHVZHHLSMGMI-QWHCGFSZSA-N 1 2 348.410 3.576 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ncc(Br)cn1 ZINC000353896902 1025393372 /nfs/dbraw/zinc/39/33/72/1025393372.db2.gz IHGFNBACHVLILU-SNVBAGLBSA-N 1 2 332.201 3.836 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)ccn12 ZINC000521459441 1025395421 /nfs/dbraw/zinc/39/54/21/1025395421.db2.gz WQWKZFPXZGQZBU-KXBFYZLASA-N 1 2 333.435 3.969 20 0 EHADLO CC1(C)Cc2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2O1 ZINC001125584494 1025399723 /nfs/dbraw/zinc/39/97/23/1025399723.db2.gz PLHHPDHJEQHYCZ-UHFFFAOYSA-N 1 2 347.418 3.516 20 0 EHADLO C[C@H](Cc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)c1ccccc1 ZINC000346997310 1025400740 /nfs/dbraw/zinc/40/07/40/1025400740.db2.gz WWUITKIPVUKHKN-CQSZACIVSA-N 1 2 331.379 3.664 20 0 EHADLO COc1ccccc1[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000657355162 1025405845 /nfs/dbraw/zinc/40/58/45/1025405845.db2.gz DIIZVNPLUSIQNV-NRFANRHFSA-N 1 2 333.435 3.717 20 0 EHADLO CC(C)[C@H](O)[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000664529223 1025409671 /nfs/dbraw/zinc/40/96/71/1025409671.db2.gz AGBTUBOWIPEEPC-UXHICEINSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@H](O)[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000664529223 1025409682 /nfs/dbraw/zinc/40/96/82/1025409682.db2.gz AGBTUBOWIPEEPC-UXHICEINSA-N 1 2 340.471 3.637 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001141892767 1025436117 /nfs/dbraw/zinc/43/61/17/1025436117.db2.gz XXVNNVUOSIUUTQ-ZANVPECISA-N 1 2 348.643 3.852 20 0 EHADLO Fc1c(Br)ccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001141892767 1025436120 /nfs/dbraw/zinc/43/61/20/1025436120.db2.gz XXVNNVUOSIUUTQ-ZANVPECISA-N 1 2 348.643 3.852 20 0 EHADLO OCC[C@H]1CCc2ccccc2N1Cc1c[nH+]cn1Cc1ccccc1 ZINC000425484215 1025441232 /nfs/dbraw/zinc/44/12/32/1025441232.db2.gz IBQQRYFWUCMYGE-HXUWFJFHSA-N 1 2 347.462 3.635 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000347049245 1025445307 /nfs/dbraw/zinc/44/53/07/1025445307.db2.gz QIGNIRBRPHILEP-UHFFFAOYSA-N 1 2 343.393 3.547 20 0 EHADLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NC1CCCCCC1 ZINC000522470842 1025450626 /nfs/dbraw/zinc/45/06/26/1025450626.db2.gz QPZRQFYUQAHISR-GOSISDBHSA-N 1 2 332.513 3.616 20 0 EHADLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NC1CCCCCC1 ZINC000522470842 1025450630 /nfs/dbraw/zinc/45/06/30/1025450630.db2.gz QPZRQFYUQAHISR-GOSISDBHSA-N 1 2 332.513 3.616 20 0 EHADLO COc1ccc(OCc2nc(C[N@@H+]3CCC=C(C)C3)cs2)cc1 ZINC000436257690 1025515639 /nfs/dbraw/zinc/51/56/39/1025515639.db2.gz FPRJOYUYIFLNMJ-UHFFFAOYSA-N 1 2 330.453 3.883 20 0 EHADLO COc1ccc(OCc2nc(C[N@H+]3CCC=C(C)C3)cs2)cc1 ZINC000436257690 1025515649 /nfs/dbraw/zinc/51/56/49/1025515649.db2.gz FPRJOYUYIFLNMJ-UHFFFAOYSA-N 1 2 330.453 3.883 20 0 EHADLO CCSc1ccc(CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000347098370 1025520975 /nfs/dbraw/zinc/52/09/75/1025520975.db2.gz INSACZMJFKBVPW-UHFFFAOYSA-N 1 2 343.496 3.533 20 0 EHADLO CC1=CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000436264849 1025523820 /nfs/dbraw/zinc/52/38/20/1025523820.db2.gz QTAFJVUFUXGPOV-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CC1=CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000436264849 1025523835 /nfs/dbraw/zinc/52/38/35/1025523835.db2.gz QTAFJVUFUXGPOV-UHFFFAOYSA-N 1 2 340.246 3.713 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000342443516 1025523869 /nfs/dbraw/zinc/52/38/69/1025523869.db2.gz BSJAYIULIAFCJH-FQEVSTJZSA-N 1 2 336.435 3.882 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000342443516 1025523880 /nfs/dbraw/zinc/52/38/80/1025523880.db2.gz BSJAYIULIAFCJH-FQEVSTJZSA-N 1 2 336.435 3.882 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000451118189 1025555335 /nfs/dbraw/zinc/55/53/35/1025555335.db2.gz XQEWAEDCGMLCQD-UYAOXDASSA-N 1 2 348.462 3.573 20 0 EHADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000451118189 1025555351 /nfs/dbraw/zinc/55/53/51/1025555351.db2.gz XQEWAEDCGMLCQD-UYAOXDASSA-N 1 2 348.462 3.573 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC000442884514 1025564546 /nfs/dbraw/zinc/56/45/46/1025564546.db2.gz HKCJAYCSRXIYAX-ZDUSSCGKSA-N 1 2 336.501 3.625 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141592 1025572165 /nfs/dbraw/zinc/57/21/65/1025572165.db2.gz FCXRVOXOPBQCBS-IRCOFANPSA-N 1 2 335.370 3.718 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)n1 ZINC000451141592 1025572176 /nfs/dbraw/zinc/57/21/76/1025572176.db2.gz FCXRVOXOPBQCBS-IRCOFANPSA-N 1 2 335.370 3.718 20 0 EHADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)F)cc3)cc2[nH+]1 ZINC000342451783 1025573094 /nfs/dbraw/zinc/57/30/94/1025573094.db2.gz QNXJEOHDBKLUND-UHFFFAOYSA-N 1 2 337.351 3.610 20 0 EHADLO Cn1nc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)cc1C(F)(F)F ZINC000898020606 1033291785 /nfs/dbraw/zinc/29/17/85/1033291785.db2.gz AONKYTZEZRVLTK-UHFFFAOYSA-N 1 2 344.724 3.523 20 0 EHADLO Cn1nc(C[NH2+]Cc2cscc2C(F)(F)F)cc1C(F)(F)F ZINC000898021018 1033292602 /nfs/dbraw/zinc/29/26/02/1033292602.db2.gz RACYOILKCRBKAL-UHFFFAOYSA-N 1 2 343.296 3.809 20 0 EHADLO COC(=O)[C@H](NCc1c[nH+]cn1C(C)C)c1cccc2ccccc21 ZINC000896543381 1025588009 /nfs/dbraw/zinc/58/80/09/1025588009.db2.gz POPIHPJMPJBUGL-LJQANCHMSA-N 1 2 337.423 3.621 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2C=CCCC2)C[C@@H](C)O1 ZINC000158744321 1033294467 /nfs/dbraw/zinc/29/44/67/1033294467.db2.gz ICIIBXRMNFTQBC-NUJGCVRESA-N 1 2 343.471 3.526 20 0 EHADLO O=C(NCc1cccc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000303670552 1025598419 /nfs/dbraw/zinc/59/84/19/1025598419.db2.gz JQIPMBMFZZQLLT-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO CC(C)c1nnc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)[nH]1 ZINC000451142935 1025615748 /nfs/dbraw/zinc/61/57/48/1025615748.db2.gz CZWRSUFDOGVQEF-UHFFFAOYSA-N 1 2 340.349 3.606 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)C2 ZINC000530300956 1025618569 /nfs/dbraw/zinc/61/85/69/1025618569.db2.gz WNPMHQSVGYXXDM-KFWWJZLASA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)CC2 ZINC000530300956 1025618571 /nfs/dbraw/zinc/61/85/71/1025618571.db2.gz WNPMHQSVGYXXDM-KFWWJZLASA-N 1 2 331.504 3.969 20 0 EHADLO Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281880089 1025629410 /nfs/dbraw/zinc/62/94/10/1025629410.db2.gz DBYMCYJYUUPZCG-OAHLLOKOSA-N 1 2 341.430 3.687 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC2(C1)CCCCCC2 ZINC000329161975 1025638975 /nfs/dbraw/zinc/63/89/75/1025638975.db2.gz ZHNLWRQFLQIETM-UHFFFAOYSA-N 1 2 338.455 3.844 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(SCc3ccccc3)c2)C[C@@H](CO)O1 ZINC000347202523 1025643990 /nfs/dbraw/zinc/64/39/90/1025643990.db2.gz FQHKKBOVUSNBCZ-APWZRJJASA-N 1 2 343.492 3.561 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(SCc3ccccc3)c2)C[C@@H](CO)O1 ZINC000347202523 1025644014 /nfs/dbraw/zinc/64/40/14/1025644014.db2.gz FQHKKBOVUSNBCZ-APWZRJJASA-N 1 2 343.492 3.561 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000179179714 1025645512 /nfs/dbraw/zinc/64/55/12/1025645512.db2.gz YKZQKTQWOKKLQZ-LSDHHAIUSA-N 1 2 345.443 3.635 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](CC)C[C@@H]2COc3ccccc3O2)n1 ZINC000179179714 1025645517 /nfs/dbraw/zinc/64/55/17/1025645517.db2.gz YKZQKTQWOKKLQZ-LSDHHAIUSA-N 1 2 345.443 3.635 20 0 EHADLO CCC(CC)c1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)on1 ZINC000657377148 1025675627 /nfs/dbraw/zinc/67/56/27/1025675627.db2.gz QYZKXBBFMXBHQN-UHFFFAOYSA-N 1 2 330.354 3.620 20 0 EHADLO CCc1noc(C)c1-c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000347229525 1025696257 /nfs/dbraw/zinc/69/62/57/1025696257.db2.gz GCGONCZNURSGMN-UHFFFAOYSA-N 1 2 335.367 3.757 20 0 EHADLO OC[C@]1(F)C[N@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000451254306 1025728666 /nfs/dbraw/zinc/72/86/66/1025728666.db2.gz BQNXTJBSDWAWLU-HNAYVOBHSA-N 1 2 342.439 3.596 20 0 EHADLO OC[C@]1(F)C[N@@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000451254306 1025728681 /nfs/dbraw/zinc/72/86/81/1025728681.db2.gz BQNXTJBSDWAWLU-HNAYVOBHSA-N 1 2 342.439 3.596 20 0 EHADLO CCOc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000081316603 1025729239 /nfs/dbraw/zinc/72/92/39/1025729239.db2.gz GNCMSHCDMQSJNS-LJQANCHMSA-N 1 2 349.434 3.533 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000081316636 1025730583 /nfs/dbraw/zinc/73/05/83/1025730583.db2.gz RQJBGLIBGHVYRD-ZDUSSCGKSA-N 1 2 345.855 3.849 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257004 1025731765 /nfs/dbraw/zinc/73/17/65/1025731765.db2.gz FRNHSZIIHQNZCN-XVGQJIODSA-N 1 2 335.369 3.826 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257004 1025731779 /nfs/dbraw/zinc/73/17/79/1025731779.db2.gz FRNHSZIIHQNZCN-XVGQJIODSA-N 1 2 335.369 3.826 20 0 EHADLO CCCCOc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000216161877 1025739003 /nfs/dbraw/zinc/73/90/03/1025739003.db2.gz RRVCNWYNZGENGX-UHFFFAOYSA-N 1 2 339.483 3.578 20 0 EHADLO C[C@H](CC(=O)N1CCC(Cc2cc(F)ccc2F)CC1)n1cc[nH+]c1 ZINC000521887104 1025760769 /nfs/dbraw/zinc/76/07/69/1025760769.db2.gz ZLXJCIJNESORSQ-CQSZACIVSA-N 1 2 347.409 3.594 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000081318146 1025763293 /nfs/dbraw/zinc/76/32/93/1025763293.db2.gz WDSIPOPJCRYMBO-NJAFHUGGSA-N 1 2 325.456 3.646 20 0 EHADLO Cc1cc(C)c(NC(=O)NC[C@H](C)Oc2ccccc2F)c(C)[nH+]1 ZINC000436491945 1025775146 /nfs/dbraw/zinc/77/51/46/1025775146.db2.gz IXJAVALCMMRCMZ-ZDUSSCGKSA-N 1 2 331.391 3.735 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccccc2Cn2cccn2)c(C)[nH+]1 ZINC000436497059 1025783187 /nfs/dbraw/zinc/78/31/87/1025783187.db2.gz RNIMEFATJMZPRB-UHFFFAOYSA-N 1 2 349.438 3.573 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCOc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000436485860 1025788693 /nfs/dbraw/zinc/78/86/93/1025788693.db2.gz AWAYZFGKIZDQKC-UHFFFAOYSA-N 1 2 333.819 3.861 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](C)(c4ccc(F)cc4)C3)ccn12 ZINC000564668125 1025791662 /nfs/dbraw/zinc/79/16/62/1025791662.db2.gz RTCJFZVVSVDGMX-HXUWFJFHSA-N 1 2 337.398 3.586 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)cc2Cl)c1C ZINC000051583131 1025809785 /nfs/dbraw/zinc/80/97/85/1025809785.db2.gz OHZCAKFWEKMROA-UHFFFAOYSA-N 1 2 333.819 3.991 20 0 EHADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)c1ccccc1 ZINC000505839106 1025812487 /nfs/dbraw/zinc/81/24/87/1025812487.db2.gz KLPHPVUBCMDRGR-QQBSYFJQSA-N 1 2 341.476 3.638 20 0 EHADLO O=S(=O)(CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1)c1ccccc1 ZINC000505839106 1025812509 /nfs/dbraw/zinc/81/25/09/1025812509.db2.gz KLPHPVUBCMDRGR-QQBSYFJQSA-N 1 2 341.476 3.638 20 0 EHADLO O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccn2cc[nH+]c2c1 ZINC000684821316 1025859411 /nfs/dbraw/zinc/85/94/11/1025859411.db2.gz QDRXNAVGIGZSBP-UHFFFAOYSA-N 1 2 347.418 3.815 20 0 EHADLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000119742947 1025860798 /nfs/dbraw/zinc/86/07/98/1025860798.db2.gz QNCGNSDLYFKHFH-GXTWGEPZSA-N 1 2 342.842 3.553 20 0 EHADLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000119742947 1025860819 /nfs/dbraw/zinc/86/08/19/1025860819.db2.gz QNCGNSDLYFKHFH-GXTWGEPZSA-N 1 2 342.842 3.553 20 0 EHADLO C[C@H](C(=O)N[C@H](c1cccs1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000522877896 1025897466 /nfs/dbraw/zinc/89/74/66/1025897466.db2.gz CKYFZUPDQCXVQG-KUHUBIRLSA-N 1 2 340.492 3.762 20 0 EHADLO C[C@H](C(=O)N[C@H](c1cccs1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000522877896 1025897490 /nfs/dbraw/zinc/89/74/90/1025897490.db2.gz CKYFZUPDQCXVQG-KUHUBIRLSA-N 1 2 340.492 3.762 20 0 EHADLO Cc1[nH]c(CNC(=O)C2(Cc3cccs3)CCCCC2)[nH+]c1C ZINC000896910121 1025936493 /nfs/dbraw/zinc/93/64/93/1025936493.db2.gz MNCPBRITEZTJLD-UHFFFAOYSA-N 1 2 331.485 3.897 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093102568 1025943852 /nfs/dbraw/zinc/94/38/52/1025943852.db2.gz QNLZROPLAMJHKI-INIZCTEOSA-N 1 2 345.418 3.522 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093102568 1025943861 /nfs/dbraw/zinc/94/38/61/1025943861.db2.gz QNLZROPLAMJHKI-INIZCTEOSA-N 1 2 345.418 3.522 20 0 EHADLO CC1(C)C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)c2ccc(F)cc2O1 ZINC000657399494 1025954725 /nfs/dbraw/zinc/95/47/25/1025954725.db2.gz JDJSAYPXJMYRDV-INIZCTEOSA-N 1 2 330.407 3.534 20 0 EHADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2ccoc2c1 ZINC000443361070 1025955255 /nfs/dbraw/zinc/95/52/55/1025955255.db2.gz LTXIPGBUKABLMO-UHFFFAOYSA-N 1 2 346.390 3.999 20 0 EHADLO Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1O ZINC000436620981 1025971406 /nfs/dbraw/zinc/97/14/06/1025971406.db2.gz AEQSVBRAODYJAU-UHFFFAOYSA-N 1 2 327.771 3.792 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C(F)F)c1 ZINC000684836365 1026008872 /nfs/dbraw/zinc/00/88/72/1026008872.db2.gz VRSZSQUKZWJIOI-LXZKKBNFSA-N 1 2 327.415 3.921 20 0 EHADLO CC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473662 1026018550 /nfs/dbraw/zinc/01/85/50/1026018550.db2.gz WTZFGPHMTSTUOI-SOLBZPMBSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C23CCC(CC2)C3)c1)[NH+]1CCOCC1 ZINC000342520848 1026048393 /nfs/dbraw/zinc/04/83/93/1026048393.db2.gz QEMCNRJXNSNPHV-SHPPYHEDSA-N 1 2 328.456 3.599 20 0 EHADLO C[C@H](c1cccc(NC(=O)C23CCC(CC2)C3)c1)[NH+]1CCOCC1 ZINC000342520847 1026048705 /nfs/dbraw/zinc/04/87/05/1026048705.db2.gz QEMCNRJXNSNPHV-LSWWBPAMSA-N 1 2 328.456 3.599 20 0 EHADLO CCCCc1ccc(C(=O)CCC(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000896923992 1026069052 /nfs/dbraw/zinc/06/90/52/1026069052.db2.gz ROINKAZQGZYWBH-UHFFFAOYSA-N 1 2 341.455 3.648 20 0 EHADLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451545238 1026094414 /nfs/dbraw/zinc/09/44/14/1026094414.db2.gz QTVMXHYDBJFOFO-SMDDNHRTSA-N 1 2 345.270 3.679 20 0 EHADLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000451545238 1026094432 /nfs/dbraw/zinc/09/44/32/1026094432.db2.gz QTVMXHYDBJFOFO-SMDDNHRTSA-N 1 2 345.270 3.679 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)ccn12 ZINC000516191844 1026099010 /nfs/dbraw/zinc/09/90/10/1026099010.db2.gz LOMWFHAOQQFKFO-GOSISDBHSA-N 1 2 347.422 3.646 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)o1 ZINC000451565812 1026119046 /nfs/dbraw/zinc/11/90/46/1026119046.db2.gz IKMSHBSVCJPECY-MFKMUULPSA-N 1 2 336.233 3.691 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](c3cccc(Br)c3)C2)o1 ZINC000451565812 1026119056 /nfs/dbraw/zinc/11/90/56/1026119056.db2.gz IKMSHBSVCJPECY-MFKMUULPSA-N 1 2 336.233 3.691 20 0 EHADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cccc(F)c2OC(F)F)C1 ZINC000657419473 1026168075 /nfs/dbraw/zinc/16/80/75/1026168075.db2.gz SJOZYFRXFXVZEG-MRXNPFEDSA-N 1 2 336.357 3.703 20 0 EHADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cccc(F)c2OC(F)F)C1 ZINC000657419473 1026168078 /nfs/dbraw/zinc/16/80/78/1026168078.db2.gz SJOZYFRXFXVZEG-MRXNPFEDSA-N 1 2 336.357 3.703 20 0 EHADLO CC(C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000475122321 1026196998 /nfs/dbraw/zinc/19/69/98/1026196998.db2.gz VFEXUNWZHDMUBS-VQTJNVASSA-N 1 2 345.483 3.682 20 0 EHADLO CC(C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000475122321 1026197005 /nfs/dbraw/zinc/19/70/05/1026197005.db2.gz VFEXUNWZHDMUBS-VQTJNVASSA-N 1 2 345.483 3.682 20 0 EHADLO Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c(=O)[nH]1 ZINC000684865173 1026206391 /nfs/dbraw/zinc/20/63/91/1026206391.db2.gz UHBUDVLMHFYEFM-UHFFFAOYSA-N 1 2 348.406 3.548 20 0 EHADLO FC(F)(F)COCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625947223 1026221449 /nfs/dbraw/zinc/22/14/49/1026221449.db2.gz CYMSTXMYPULXKK-UHFFFAOYSA-N 1 2 327.268 3.642 20 0 EHADLO FC(F)(F)COCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625947223 1026221462 /nfs/dbraw/zinc/22/14/62/1026221462.db2.gz CYMSTXMYPULXKK-UHFFFAOYSA-N 1 2 327.268 3.642 20 0 EHADLO COCC[C@@H]([NH2+]Cc1ncc(C)cn1)c1cccc(C(F)(F)F)c1 ZINC000451689892 1026231716 /nfs/dbraw/zinc/23/17/16/1026231716.db2.gz KOAMWSGYRISDDO-OAHLLOKOSA-N 1 2 339.361 3.671 20 0 EHADLO O=C([C@@H]1CCCCC1(F)F)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000451692083 1026231856 /nfs/dbraw/zinc/23/18/56/1026231856.db2.gz SFKVCIJUDQOEJN-GJZGRUSLSA-N 1 2 342.817 3.638 20 0 EHADLO OCC[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000072939416 1026237105 /nfs/dbraw/zinc/23/71/05/1026237105.db2.gz MAOVFDMQDBGNMZ-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO OCC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000072939416 1026237119 /nfs/dbraw/zinc/23/71/19/1026237119.db2.gz MAOVFDMQDBGNMZ-UHFFFAOYSA-N 1 2 342.826 3.990 20 0 EHADLO OCC1(C(F)(F)F)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000897037405 1026258811 /nfs/dbraw/zinc/25/88/11/1026258811.db2.gz MHOUCIAWZWXMRE-UHFFFAOYSA-N 1 2 325.733 3.616 20 0 EHADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000530778060 1026287154 /nfs/dbraw/zinc/28/71/54/1026287154.db2.gz HDIZSRCLPHKFTE-BETUJISGSA-N 1 2 349.525 3.559 20 0 EHADLO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000530778060 1026287164 /nfs/dbraw/zinc/28/71/64/1026287164.db2.gz HDIZSRCLPHKFTE-BETUJISGSA-N 1 2 349.525 3.559 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842235 1026312194 /nfs/dbraw/zinc/31/21/94/1026312194.db2.gz QWHWJGGWADSWHR-WMLDXEAASA-N 1 2 344.480 3.616 20 0 EHADLO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842235 1026312206 /nfs/dbraw/zinc/31/22/06/1026312206.db2.gz QWHWJGGWADSWHR-WMLDXEAASA-N 1 2 344.480 3.616 20 0 EHADLO CC[N@H+](Cc1nc(N(C)C)no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192703259 1026325601 /nfs/dbraw/zinc/32/56/01/1026325601.db2.gz LIQFOKNSNHRYNM-NSHDSACASA-N 1 2 342.365 3.738 20 0 EHADLO CC[N@@H+](Cc1nc(N(C)C)no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192703259 1026325614 /nfs/dbraw/zinc/32/56/14/1026325614.db2.gz LIQFOKNSNHRYNM-NSHDSACASA-N 1 2 342.365 3.738 20 0 EHADLO Cc1cccc(C)c1OCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000342575697 1026327964 /nfs/dbraw/zinc/32/79/64/1026327964.db2.gz TWCRHLAEKIGXPX-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cc1cc2ncc([C@H](C)Nc3ccc(N4CCCC4)[nH+]c3)c(C)n2n1 ZINC000192751371 1026335940 /nfs/dbraw/zinc/33/59/40/1026335940.db2.gz RPDYZVYKBMSYJU-AWEZNQCLSA-N 1 2 336.443 3.514 20 0 EHADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000122296930 1026349534 /nfs/dbraw/zinc/34/95/34/1026349534.db2.gz GYDLRUZUWPCROT-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000122296930 1026349548 /nfs/dbraw/zinc/34/95/48/1026349548.db2.gz GYDLRUZUWPCROT-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000043516778 1026358933 /nfs/dbraw/zinc/35/89/33/1026358933.db2.gz FXKYDXIYELGZRN-UHFFFAOYSA-N 1 2 344.484 3.759 20 0 EHADLO C[NH+](C)[C@H](c1nc([C@@H]2CCOC3(CCC3)C2)no1)c1ccccc1 ZINC000897105621 1026365494 /nfs/dbraw/zinc/36/54/94/1026365494.db2.gz CRPRKPLOPAMNEL-CVEARBPZSA-N 1 2 327.428 3.537 20 0 EHADLO Oc1ccc(Br)c(C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000277639229 1026396008 /nfs/dbraw/zinc/39/60/08/1026396008.db2.gz DDOXXSYJQVVNBB-UHFFFAOYSA-N 1 2 347.256 3.718 20 0 EHADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@]4(CCSC4)C3)nc(=O)c2c1C ZINC000451965211 1026401283 /nfs/dbraw/zinc/40/12/83/1026401283.db2.gz KDWCLLJJUWQLGH-KRWDZBQOSA-N 1 2 349.525 3.733 20 0 EHADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@]4(CCSC4)C3)nc(=O)c2c1C ZINC000451965211 1026401292 /nfs/dbraw/zinc/40/12/92/1026401292.db2.gz KDWCLLJJUWQLGH-KRWDZBQOSA-N 1 2 349.525 3.733 20 0 EHADLO O=c1[nH]c(C[NH2+]C2(c3ccc(F)cc3)CC2)nc2cc(Cl)ccc12 ZINC000532721535 1026407972 /nfs/dbraw/zinc/40/79/72/1026407972.db2.gz JKWBQLRPNDZTJA-UHFFFAOYSA-N 1 2 343.789 3.907 20 0 EHADLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C2CC2)O1 ZINC000475280443 1026429981 /nfs/dbraw/zinc/42/99/81/1026429981.db2.gz NOZIHEVNIIWRQI-LIRRHRJNSA-N 1 2 334.891 3.940 20 0 EHADLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C2CC2)O1 ZINC000475280443 1026429983 /nfs/dbraw/zinc/42/99/83/1026429983.db2.gz NOZIHEVNIIWRQI-LIRRHRJNSA-N 1 2 334.891 3.940 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997671 1026441844 /nfs/dbraw/zinc/44/18/44/1026441844.db2.gz RJELIRURRPHHDH-AAEUAGOBSA-N 1 2 344.286 3.790 20 0 EHADLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997671 1026441848 /nfs/dbraw/zinc/44/18/48/1026441848.db2.gz RJELIRURRPHHDH-AAEUAGOBSA-N 1 2 344.286 3.790 20 0 EHADLO C[C@@H](CC(C)(C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000475304835 1026457937 /nfs/dbraw/zinc/45/79/37/1026457937.db2.gz VKMDVGBZIAZFAJ-INIZCTEOSA-N 1 2 327.472 3.662 20 0 EHADLO O=C(CCCc1csc2ccccc12)N1CC(n2cc[nH+]c2)C1 ZINC000531025278 1026497065 /nfs/dbraw/zinc/49/70/65/1026497065.db2.gz PUUOAXFVNPDLDK-UHFFFAOYSA-N 1 2 325.437 3.504 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C ZINC000475363431 1026514183 /nfs/dbraw/zinc/51/41/83/1026514183.db2.gz CXAODAPMELUAIZ-ZWNOBZJWSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C ZINC000475363431 1026514188 /nfs/dbraw/zinc/51/41/88/1026514188.db2.gz CXAODAPMELUAIZ-ZWNOBZJWSA-N 1 2 349.780 3.990 20 0 EHADLO CC(C)CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000475370648 1026531501 /nfs/dbraw/zinc/53/15/01/1026531501.db2.gz PEBYTZPPAARARS-UHFFFAOYSA-N 1 2 328.460 3.692 20 0 EHADLO CCOCCCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000866910931 1026537211 /nfs/dbraw/zinc/53/72/11/1026537211.db2.gz XLMLALWYUNZOSF-UHFFFAOYSA-N 1 2 326.400 3.672 20 0 EHADLO COCc1cnc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)s1 ZINC000342641540 1026542096 /nfs/dbraw/zinc/54/20/96/1026542096.db2.gz WUUUFNYZIHOMGN-UHFFFAOYSA-N 1 2 346.496 3.950 20 0 EHADLO CC[N@H+](CC(=O)NCCCC(C)(F)F)Cc1ccccc1Cl ZINC000452204249 1026569845 /nfs/dbraw/zinc/56/98/45/1026569845.db2.gz WXTPHOAHALDQNG-UHFFFAOYSA-N 1 2 332.822 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NCCCC(C)(F)F)Cc1ccccc1Cl ZINC000452204249 1026569847 /nfs/dbraw/zinc/56/98/47/1026569847.db2.gz WXTPHOAHALDQNG-UHFFFAOYSA-N 1 2 332.822 3.714 20 0 EHADLO CCO[C@H](CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000452210056 1026577089 /nfs/dbraw/zinc/57/70/89/1026577089.db2.gz TZCFKEFPBBNQCQ-QGZVFWFLSA-N 1 2 349.862 3.593 20 0 EHADLO C[NH+](C)[C@H](C(=O)Nc1nc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000531132674 1026602232 /nfs/dbraw/zinc/60/22/32/1026602232.db2.gz SSDSKAHHVKAZHQ-AWEZNQCLSA-N 1 2 335.860 3.527 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC(C)(C)C2)C[C@H](C)O1 ZINC000665626440 1026609000 /nfs/dbraw/zinc/60/90/00/1026609000.db2.gz XWXHAUCNAWHSRE-GJZGRUSLSA-N 1 2 345.487 3.606 20 0 EHADLO Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(Cl)c1C ZINC000783580710 1026642278 /nfs/dbraw/zinc/64/22/78/1026642278.db2.gz JIDHIJLTFKDUON-UHFFFAOYSA-N 1 2 344.833 3.758 20 0 EHADLO Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(Cl)c1C ZINC000783580710 1026642281 /nfs/dbraw/zinc/64/22/81/1026642281.db2.gz JIDHIJLTFKDUON-UHFFFAOYSA-N 1 2 344.833 3.758 20 0 EHADLO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccccc1F)C(F)(F)F ZINC000511171141 1026689026 /nfs/dbraw/zinc/68/90/26/1026689026.db2.gz IGJBVWVHHHDHSS-INIZCTEOSA-N 1 2 327.321 3.751 20 0 EHADLO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccccc1F)C(F)(F)F ZINC000511171141 1026689033 /nfs/dbraw/zinc/68/90/33/1026689033.db2.gz IGJBVWVHHHDHSS-INIZCTEOSA-N 1 2 327.321 3.751 20 0 EHADLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccco1 ZINC000010050634 1026709623 /nfs/dbraw/zinc/70/96/23/1026709623.db2.gz UEDRTHIRIBDRIK-LLVKDONJSA-N 1 2 342.317 3.637 20 0 EHADLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccco1 ZINC000010050634 1026709636 /nfs/dbraw/zinc/70/96/36/1026709636.db2.gz UEDRTHIRIBDRIK-LLVKDONJSA-N 1 2 342.317 3.637 20 0 EHADLO CN(Cc1ccc(C(F)(F)F)cc1)c1cc(N2CCCC2)[nH+]cn1 ZINC000301182392 1026714513 /nfs/dbraw/zinc/71/45/13/1026714513.db2.gz PMKZJSZKLJFTJO-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO CN(Cc1ccc(C(F)(F)F)cc1)c1cc(N2CCCC2)nc[nH+]1 ZINC000301182392 1026714526 /nfs/dbraw/zinc/71/45/26/1026714526.db2.gz PMKZJSZKLJFTJO-UHFFFAOYSA-N 1 2 336.361 3.732 20 0 EHADLO C[C@H]([NH2+]Cc1coc(-c2ccccc2C(F)(F)F)n1)c1cn[nH]c1 ZINC000639584455 1026715132 /nfs/dbraw/zinc/71/51/32/1026715132.db2.gz XMBFJGSNWRCXMY-JTQLQIEISA-N 1 2 336.317 3.934 20 0 EHADLO CC[N@@H+](Cc1nc(C2CC2)cs1)C[C@@H]1COc2ccccc2O1 ZINC000342692706 1026733172 /nfs/dbraw/zinc/73/31/72/1026733172.db2.gz KXHVMNPZLZBNEH-CQSZACIVSA-N 1 2 330.453 3.682 20 0 EHADLO CC[N@H+](Cc1nc(C2CC2)cs1)C[C@@H]1COc2ccccc2O1 ZINC000342692706 1026733187 /nfs/dbraw/zinc/73/31/87/1026733187.db2.gz KXHVMNPZLZBNEH-CQSZACIVSA-N 1 2 330.453 3.682 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCn1cc[nH+]c1)CCC2 ZINC000342694883 1026744674 /nfs/dbraw/zinc/74/46/74/1026744674.db2.gz FSQJSABZVSDVDY-IBGZPJMESA-N 1 2 340.471 3.773 20 0 EHADLO Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000073328802 1026766859 /nfs/dbraw/zinc/76/68/59/1026766859.db2.gz IVCZAVNIMQVLPQ-MRXNPFEDSA-N 1 2 336.439 3.538 20 0 EHADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@H](OC)C1 ZINC000301375025 1026781114 /nfs/dbraw/zinc/78/11/14/1026781114.db2.gz VMFTVJRTBQNNQL-HNNXBMFYSA-N 1 2 342.439 3.644 20 0 EHADLO C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H](c2ccccc2)C1 ZINC000665653076 1026784860 /nfs/dbraw/zinc/78/48/60/1026784860.db2.gz XAFGGHPDFBQMTG-QXAKKESOSA-N 1 2 325.456 3.752 20 0 EHADLO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000611664441 1026802108 /nfs/dbraw/zinc/80/21/08/1026802108.db2.gz IEJPSSPAMQALEN-MWQQHZPXSA-N 1 2 341.455 3.679 20 0 EHADLO Cc1cccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c12 ZINC000301518135 1026836423 /nfs/dbraw/zinc/83/64/23/1026836423.db2.gz FYVQDMSGUNJDMK-UHFFFAOYSA-N 1 2 333.370 3.875 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1nnc2n1CCCCC2 ZINC000684954562 1026841621 /nfs/dbraw/zinc/84/16/21/1026841621.db2.gz AGBDTLBQSLXEAR-HZPDHXFCSA-N 1 2 325.460 3.518 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764152 1026843989 /nfs/dbraw/zinc/84/39/89/1026843989.db2.gz MLUAVCKRYVGIDM-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)C(F)(F)F ZINC000277764152 1026843995 /nfs/dbraw/zinc/84/39/95/1026843995.db2.gz MLUAVCKRYVGIDM-TVQRCGJNSA-N 1 2 325.733 3.614 20 0 EHADLO Cc1cc2ccccc2[nH+]c1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000301537249 1026843949 /nfs/dbraw/zinc/84/39/49/1026843949.db2.gz AVURQBWLIZXKLT-UHFFFAOYSA-N 1 2 335.407 3.853 20 0 EHADLO Nc1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)cc[nH+]1 ZINC000193063688 1026857712 /nfs/dbraw/zinc/85/77/12/1026857712.db2.gz GTJZYCBMPXOMCG-UHFFFAOYSA-N 1 2 348.815 3.572 20 0 EHADLO Cc1cc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301627131 1026881357 /nfs/dbraw/zinc/88/13/57/1026881357.db2.gz BFVBSSSVNRAOLQ-MRXNPFEDSA-N 1 2 330.476 3.502 20 0 EHADLO O=C(C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)Nc1nccs1 ZINC000025459769 1026892386 /nfs/dbraw/zinc/89/23/86/1026892386.db2.gz LPAZQWQTYWFQMR-GOSISDBHSA-N 1 2 349.459 3.729 20 0 EHADLO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)Nc1nccs1 ZINC000025459769 1026892394 /nfs/dbraw/zinc/89/23/94/1026892394.db2.gz LPAZQWQTYWFQMR-GOSISDBHSA-N 1 2 349.459 3.729 20 0 EHADLO C[C@@H](O)[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301800095 1026942774 /nfs/dbraw/zinc/94/27/74/1026942774.db2.gz VTKXVDOABMHYQG-NEPJUHHUSA-N 1 2 335.245 3.595 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2cc(NCC3CC3)[nH+]cn2)cc1OC ZINC000301815083 1026949246 /nfs/dbraw/zinc/94/92/46/1026949246.db2.gz GLPFANMXHAAPGB-ZDUSSCGKSA-N 1 2 342.443 3.797 20 0 EHADLO COc1cc(C)c([C@H](C)Nc2cc(NCC3CC3)nc[nH+]2)cc1OC ZINC000301815083 1026949250 /nfs/dbraw/zinc/94/92/50/1026949250.db2.gz GLPFANMXHAAPGB-ZDUSSCGKSA-N 1 2 342.443 3.797 20 0 EHADLO Clc1ccc([C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000301841476 1026960152 /nfs/dbraw/zinc/96/01/52/1026960152.db2.gz YYJNZAZPBBMCAH-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO Clc1ccc([C@H]2CN(c3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000301841476 1026960162 /nfs/dbraw/zinc/96/01/62/1026960162.db2.gz YYJNZAZPBBMCAH-MRXNPFEDSA-N 1 2 344.846 3.530 20 0 EHADLO Cc1csc([C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C2CC2)n1 ZINC000301841337 1026960325 /nfs/dbraw/zinc/96/03/25/1026960325.db2.gz BNYZWMQSSDSATE-ZDUSSCGKSA-N 1 2 342.472 3.909 20 0 EHADLO CC(C)c1cc(N[C@H]2CCN(CC(F)(F)F)C2)nc(C(C)C)[nH+]1 ZINC000301849432 1026964255 /nfs/dbraw/zinc/96/42/55/1026964255.db2.gz DGYLLCQSBSDCOB-LBPRGKRZSA-N 1 2 330.398 3.772 20 0 EHADLO CO[C@@H](CNc1nc(N)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000301854249 1026965549 /nfs/dbraw/zinc/96/55/49/1026965549.db2.gz AJRZBQWQGJHQBU-HNNXBMFYSA-N 1 2 328.803 3.665 20 0 EHADLO Cc1nc(C)c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)o1 ZINC000277797567 1026965633 /nfs/dbraw/zinc/96/56/33/1026965633.db2.gz VXQZBUBAWUXXRC-UHFFFAOYSA-N 1 2 336.395 3.744 20 0 EHADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000548752812 1026975567 /nfs/dbraw/zinc/97/55/67/1026975567.db2.gz PUQNNDUTZRXKCR-VNHYZAJKSA-N 1 2 343.452 3.502 20 0 EHADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000548752812 1026975575 /nfs/dbraw/zinc/97/55/75/1026975575.db2.gz PUQNNDUTZRXKCR-VNHYZAJKSA-N 1 2 343.452 3.502 20 0 EHADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)Oc1cccc(F)c1 ZINC000301883249 1026978820 /nfs/dbraw/zinc/97/88/20/1026978820.db2.gz KZNMQTYAPLSSOT-LBPRGKRZSA-N 1 2 343.406 3.600 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cc(F)ccc1F ZINC000301889118 1026979296 /nfs/dbraw/zinc/97/92/96/1026979296.db2.gz NGLWASZICYRBNS-UHFFFAOYSA-N 1 2 331.370 3.514 20 0 EHADLO CCOCCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001167601592 1026995556 /nfs/dbraw/zinc/99/55/56/1026995556.db2.gz DWVSQSZJGNFAPF-LBPRGKRZSA-N 1 2 332.271 3.966 20 0 EHADLO CCOCCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001167601592 1026995563 /nfs/dbraw/zinc/99/55/63/1026995563.db2.gz DWVSQSZJGNFAPF-LBPRGKRZSA-N 1 2 332.271 3.966 20 0 EHADLO Cc1nc(NCCCCNc2cccc[nH+]2)ccc1Br ZINC000301976597 1027013716 /nfs/dbraw/zinc/01/37/16/1027013716.db2.gz CPMALPCSMUQULA-UHFFFAOYSA-N 1 2 335.249 3.852 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000666004087 1027016111 /nfs/dbraw/zinc/01/61/11/1027016111.db2.gz STQNEWWMNHXLOH-MGPUTAFESA-N 1 2 345.487 3.780 20 0 EHADLO CCc1ccc(O)c(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342783199 1027027458 /nfs/dbraw/zinc/02/74/58/1027027458.db2.gz IDBXLTBWQKLGSQ-INIZCTEOSA-N 1 2 335.407 3.838 20 0 EHADLO Cc1nc(N2CC[C@H](COCc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302099058 1027052251 /nfs/dbraw/zinc/05/22/51/1027052251.db2.gz PFSIVUUNTKFJCM-SFHVURJKSA-N 1 2 337.467 3.707 20 0 EHADLO Cc1nc(NCc2cn(C)nc2-c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302142635 1027068146 /nfs/dbraw/zinc/06/81/46/1027068146.db2.gz FUMFIRJPFRHOAK-UHFFFAOYSA-N 1 2 333.439 3.676 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(Cl)cc1 ZINC000302192030 1027084419 /nfs/dbraw/zinc/08/44/19/1027084419.db2.gz VXYKVTYZGQLAFI-CJNGLKHVSA-N 1 2 346.862 3.654 20 0 EHADLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(Cl)cc1 ZINC000302192030 1027084423 /nfs/dbraw/zinc/08/44/23/1027084423.db2.gz VXYKVTYZGQLAFI-CJNGLKHVSA-N 1 2 346.862 3.654 20 0 EHADLO CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000272766680 1027102926 /nfs/dbraw/zinc/10/29/26/1027102926.db2.gz QBAVZIVOFRTXEH-YJBOKZPZSA-N 1 2 327.428 3.652 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000125641736 1027103299 /nfs/dbraw/zinc/10/32/99/1027103299.db2.gz MKZUQABEWSBPHW-VYDXJSESSA-N 1 2 337.423 3.843 20 0 EHADLO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000531631128 1027107553 /nfs/dbraw/zinc/10/75/53/1027107553.db2.gz DWEQNJIQVQLNSH-IBGZPJMESA-N 1 2 340.471 3.827 20 0 EHADLO Cc1nc(N2CCC(c3noc(C(C)C)n3)CC2)c2c([nH+]1)CCCC2 ZINC000272802090 1027123602 /nfs/dbraw/zinc/12/36/02/1027123602.db2.gz AUYSYCILNALOQG-UHFFFAOYSA-N 1 2 341.459 3.554 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000125976185 1027144783 /nfs/dbraw/zinc/14/47/83/1027144783.db2.gz KKLGLLVKFMTODU-DJJJIMSYSA-N 1 2 336.439 3.705 20 0 EHADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534115 1027145381 /nfs/dbraw/zinc/14/53/81/1027145381.db2.gz JZABCVBGOQFKFD-STQMWFEESA-N 1 2 349.887 3.950 20 0 EHADLO CCCn1cc(C[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000126041796 1027154108 /nfs/dbraw/zinc/15/41/08/1027154108.db2.gz LZWKAZYGNACZPP-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO CCCn1cc(C[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000126041796 1027154119 /nfs/dbraw/zinc/15/41/19/1027154119.db2.gz LZWKAZYGNACZPP-UHFFFAOYSA-N 1 2 328.279 3.749 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557486 1027171574 /nfs/dbraw/zinc/17/15/74/1027171574.db2.gz NQFZIBAHBQNVIN-QWHCGFSZSA-N 1 2 349.887 3.950 20 0 EHADLO CNC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3ccccc3C)o2)cc1 ZINC000075613295 1027181472 /nfs/dbraw/zinc/18/14/72/1027181472.db2.gz FDGUSUXFWYDOGT-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3ccccc3C)o2)cc1 ZINC000075613295 1027181483 /nfs/dbraw/zinc/18/14/83/1027181483.db2.gz FDGUSUXFWYDOGT-UHFFFAOYSA-N 1 2 349.434 3.642 20 0 EHADLO COc1cccc2c(N[C@H]3CCC[C@@H](C(=O)NC(C)C)C3)cc[nH+]c12 ZINC000302567002 1027196472 /nfs/dbraw/zinc/19/64/72/1027196472.db2.gz WUOHYWOLWMFGII-CABCVRRESA-N 1 2 341.455 3.739 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1occc1CSc1ccccc1 ZINC000075848711 1027197415 /nfs/dbraw/zinc/19/74/15/1027197415.db2.gz UEUNEKZBDPSDHZ-CQSZACIVSA-N 1 2 341.436 3.587 20 0 EHADLO C[C@H]1C[C@H]([N@@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141450 1027199073 /nfs/dbraw/zinc/19/90/73/1027199073.db2.gz JJOAWKGIVMIJDM-WMLDXEAASA-N 1 2 343.446 3.807 20 0 EHADLO C[C@H]1C[C@H]([N@H+]2CCn3cc(-c4ccc(F)cc4)nc3C2(C)C)CCO1 ZINC001168141450 1027199077 /nfs/dbraw/zinc/19/90/77/1027199077.db2.gz JJOAWKGIVMIJDM-WMLDXEAASA-N 1 2 343.446 3.807 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCOc2cc(C)cc(C)c2)n1 ZINC000075887317 1027204344 /nfs/dbraw/zinc/20/43/44/1027204344.db2.gz MXFPKTSKWBOKAM-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2cc(C)cc(C)c2)n1 ZINC000075887317 1027204360 /nfs/dbraw/zinc/20/43/60/1027204360.db2.gz MXFPKTSKWBOKAM-INIZCTEOSA-N 1 2 347.459 3.685 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915388 1027209527 /nfs/dbraw/zinc/20/95/27/1027209527.db2.gz QCVNBBUFKWYICL-AZUAARDMSA-N 1 2 341.499 3.959 20 0 EHADLO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915388 1027209548 /nfs/dbraw/zinc/20/95/48/1027209548.db2.gz QCVNBBUFKWYICL-AZUAARDMSA-N 1 2 341.499 3.959 20 0 EHADLO CCOc1nnc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000075964981 1027216454 /nfs/dbraw/zinc/21/64/54/1027216454.db2.gz LFKIRIHEVBZFOO-CYBMUJFWSA-N 1 2 335.498 3.551 20 0 EHADLO CCOc1nnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000075964981 1027216458 /nfs/dbraw/zinc/21/64/58/1027216458.db2.gz LFKIRIHEVBZFOO-CYBMUJFWSA-N 1 2 335.498 3.551 20 0 EHADLO FC(F)(F)c1cnc(NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000302665138 1027230495 /nfs/dbraw/zinc/23/04/95/1027230495.db2.gz CAYXKCRPNBEYII-UHFFFAOYSA-N 1 2 328.363 3.638 20 0 EHADLO COc1cccc2c(NCCc3cn4ccccc4n3)c(C)c[nH+]c12 ZINC000302695770 1027241318 /nfs/dbraw/zinc/24/13/18/1027241318.db2.gz GULSCICECLURNG-UHFFFAOYSA-N 1 2 332.407 3.854 20 0 EHADLO C[C@@H](c1cnn(C)c1)N(C)c1cc[nH+]c2c(Br)cccc12 ZINC000302710006 1027248370 /nfs/dbraw/zinc/24/83/70/1027248370.db2.gz ZFAFHKGQBMJKQV-NSHDSACASA-N 1 2 345.244 3.928 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000454220846 1027261967 /nfs/dbraw/zinc/26/19/67/1027261967.db2.gz BBWBBYGVWOCPBS-QGZVFWFLSA-N 1 2 344.503 3.650 20 0 EHADLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccc(F)c(F)c2n1 ZINC000302740025 1027264465 /nfs/dbraw/zinc/26/44/65/1027264465.db2.gz QWDASNLVGVSQJO-CQSZACIVSA-N 1 2 341.361 3.874 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000127016782 1027266002 /nfs/dbraw/zinc/26/60/02/1027266002.db2.gz SURIWNQLCUSBTA-SFHVURJKSA-N 1 2 341.503 3.865 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000127016782 1027266016 /nfs/dbraw/zinc/26/60/16/1027266016.db2.gz SURIWNQLCUSBTA-SFHVURJKSA-N 1 2 341.503 3.865 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1cccs1 ZINC000076340771 1027273591 /nfs/dbraw/zinc/27/35/91/1027273591.db2.gz KFDZUPASDDLSDD-KRWDZBQOSA-N 1 2 337.448 3.970 20 0 EHADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429395 1027276068 /nfs/dbraw/zinc/27/60/68/1027276068.db2.gz YCANIKOXEXSOBQ-ZUZCIYMTSA-N 1 2 333.234 3.605 20 0 EHADLO C[C@H](NC(=O)C[N@H+]1CC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000501429395 1027276083 /nfs/dbraw/zinc/27/60/83/1027276083.db2.gz YCANIKOXEXSOBQ-ZUZCIYMTSA-N 1 2 333.234 3.605 20 0 EHADLO Cc1ccc([C@@H](C)N(C)c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302793871 1027294461 /nfs/dbraw/zinc/29/44/61/1027294461.db2.gz NLDCJSPIDDGYTL-OAHLLOKOSA-N 1 2 328.485 3.536 20 0 EHADLO Cc1ccc([C@@H](C)N(C)c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302793871 1027294476 /nfs/dbraw/zinc/29/44/76/1027294476.db2.gz NLDCJSPIDDGYTL-OAHLLOKOSA-N 1 2 328.485 3.536 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000273171730 1027295953 /nfs/dbraw/zinc/29/59/53/1027295953.db2.gz FJGUIBYYKMOPOS-NSHDSACASA-N 1 2 325.441 3.573 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000273171730 1027295968 /nfs/dbraw/zinc/29/59/68/1027295968.db2.gz FJGUIBYYKMOPOS-NSHDSACASA-N 1 2 325.441 3.573 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000302828003 1027315054 /nfs/dbraw/zinc/31/50/54/1027315054.db2.gz BULKBGAMJNDGLZ-DZGCQCFKSA-N 1 2 325.391 3.688 20 0 EHADLO FC(F)(F)[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000302828100 1027316082 /nfs/dbraw/zinc/31/60/82/1027316082.db2.gz IJNRQIYMCWFQNM-AWEZNQCLSA-N 1 2 336.361 3.835 20 0 EHADLO FC(F)(F)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000302828100 1027316104 /nfs/dbraw/zinc/31/61/04/1027316104.db2.gz IJNRQIYMCWFQNM-AWEZNQCLSA-N 1 2 336.361 3.835 20 0 EHADLO COC(=O)c1occc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127584277 1027324657 /nfs/dbraw/zinc/32/46/57/1027324657.db2.gz HRRBYWFFZJCVHN-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO COC(=O)c1occc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127584277 1027324675 /nfs/dbraw/zinc/32/46/75/1027324675.db2.gz HRRBYWFFZJCVHN-UHFFFAOYSA-N 1 2 343.301 3.597 20 0 EHADLO Oc1cccc([C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000127570475 1027325662 /nfs/dbraw/zinc/32/56/62/1027325662.db2.gz ZCVRSRJNJZSNMN-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO Oc1cccc([C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CCO2)c1 ZINC000127570475 1027325682 /nfs/dbraw/zinc/32/56/82/1027325682.db2.gz ZCVRSRJNJZSNMN-QGZVFWFLSA-N 1 2 335.350 3.567 20 0 EHADLO Cc1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000273235123 1027328160 /nfs/dbraw/zinc/32/81/60/1027328160.db2.gz XTJIYAKJJGQLGV-SFHVURJKSA-N 1 2 343.496 3.625 20 0 EHADLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCC1)c1ccc(Cl)cc1 ZINC000453087479 1027343454 /nfs/dbraw/zinc/34/34/54/1027343454.db2.gz PYNVHTYVPQELOZ-KRWDZBQOSA-N 1 2 333.863 3.712 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)[C@@H](C)c1ccccc1 ZINC000302889566 1027345272 /nfs/dbraw/zinc/34/52/72/1027345272.db2.gz NGTJNNZIADFLDW-HUUCEWRRSA-N 1 2 328.485 3.634 20 0 EHADLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)[C@@H](C)c1ccccc1 ZINC000302889566 1027345285 /nfs/dbraw/zinc/34/52/85/1027345285.db2.gz NGTJNNZIADFLDW-HUUCEWRRSA-N 1 2 328.485 3.634 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302889565 1027345591 /nfs/dbraw/zinc/34/55/91/1027345591.db2.gz NGTJNNZIADFLDW-GJZGRUSLSA-N 1 2 328.485 3.634 20 0 EHADLO C[C@H](c1ccccc1)[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302889565 1027345610 /nfs/dbraw/zinc/34/56/10/1027345610.db2.gz NGTJNNZIADFLDW-GJZGRUSLSA-N 1 2 328.485 3.634 20 0 EHADLO CCOc1nnc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)s1 ZINC000076733062 1027347287 /nfs/dbraw/zinc/34/72/87/1027347287.db2.gz MFMBBKMZMDXXLW-NSHDSACASA-N 1 2 325.865 3.653 20 0 EHADLO CCOc1nnc(C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)s1 ZINC000076733062 1027347299 /nfs/dbraw/zinc/34/72/99/1027347299.db2.gz MFMBBKMZMDXXLW-NSHDSACASA-N 1 2 325.865 3.653 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000531769623 1027348110 /nfs/dbraw/zinc/34/81/10/1027348110.db2.gz JTGCQOONUHIKDR-UHFFFAOYSA-N 1 2 343.818 3.639 20 0 EHADLO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ncc(-c2ccccc2)o1 ZINC000273276955 1027353657 /nfs/dbraw/zinc/35/36/57/1027353657.db2.gz HPTOHLXQUVETSR-HNNXBMFYSA-N 1 2 341.455 3.831 20 0 EHADLO COc1ccc([C@H](C)CCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302905414 1027356130 /nfs/dbraw/zinc/35/61/30/1027356130.db2.gz SLLBJZNHVCKBNQ-OAHLLOKOSA-N 1 2 326.444 3.691 20 0 EHADLO COc1ccc([C@H](C)CCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905414 1027356143 /nfs/dbraw/zinc/35/61/43/1027356143.db2.gz SLLBJZNHVCKBNQ-OAHLLOKOSA-N 1 2 326.444 3.691 20 0 EHADLO CCOc1cccc([C@H](C)Nc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302920875 1027365824 /nfs/dbraw/zinc/36/58/24/1027365824.db2.gz ZPDCPRLMYDXDDR-AWEZNQCLSA-N 1 2 344.484 3.602 20 0 EHADLO CCOc1cccc([C@H](C)Nc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302920875 1027365841 /nfs/dbraw/zinc/36/58/41/1027365841.db2.gz ZPDCPRLMYDXDDR-AWEZNQCLSA-N 1 2 344.484 3.602 20 0 EHADLO CSc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045959534 1027373544 /nfs/dbraw/zinc/37/35/44/1027373544.db2.gz QOVUCWGHUFHRAG-UHFFFAOYSA-N 1 2 342.468 3.594 20 0 EHADLO COc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1Cl ZINC000320866263 1027377231 /nfs/dbraw/zinc/37/72/31/1027377231.db2.gz GTLRMOHXOHUSHM-LBPRGKRZSA-N 1 2 334.851 3.517 20 0 EHADLO CC(C)(C)c1nc(=N[C@H](C[NH3+])c2ccc3ccccc3c2)s[nH]1 ZINC000420244725 1027416290 /nfs/dbraw/zinc/41/62/90/1027416290.db2.gz LAWQVDUJUGVHJU-OAHLLOKOSA-N 1 2 326.469 3.523 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000273417548 1027420677 /nfs/dbraw/zinc/42/06/77/1027420677.db2.gz USNOLIYVOGXCDG-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO CCOCCC1(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CCCC1 ZINC000453131029 1027432570 /nfs/dbraw/zinc/43/25/70/1027432570.db2.gz FXVPMPHRPDYUEZ-GOSISDBHSA-N 1 2 346.450 3.610 20 0 EHADLO CCC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077416420 1027440412 /nfs/dbraw/zinc/44/04/12/1027440412.db2.gz PZEZZPRBHQLHMK-WMZOPIPTSA-N 1 2 344.503 3.709 20 0 EHADLO CCC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)(C)C ZINC000454227178 1027466811 /nfs/dbraw/zinc/46/68/11/1027466811.db2.gz LSMQBBMNBNYPSA-INIZCTEOSA-N 1 2 332.492 3.696 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000273574041 1027500150 /nfs/dbraw/zinc/50/01/50/1027500150.db2.gz GIIBZEAIEJDNTA-LLVKDONJSA-N 1 2 333.457 3.653 20 0 EHADLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000273582090 1027502404 /nfs/dbraw/zinc/50/24/04/1027502404.db2.gz HBPHHSXRRQGYSE-OLZOCXBDSA-N 1 2 346.500 3.956 20 0 EHADLO CCOc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(F)cc1OC ZINC000628352978 1027536171 /nfs/dbraw/zinc/53/61/71/1027536171.db2.gz BMZKDRYUFIRORU-UHFFFAOYSA-N 1 2 347.434 3.541 20 0 EHADLO CCOc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(F)cc1OC ZINC000628352978 1027536185 /nfs/dbraw/zinc/53/61/85/1027536185.db2.gz BMZKDRYUFIRORU-UHFFFAOYSA-N 1 2 347.434 3.541 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000303447310 1027562584 /nfs/dbraw/zinc/56/25/84/1027562584.db2.gz HHEJUTVYMWHHBJ-PTNGSMBKSA-N 1 2 335.382 3.731 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000342837355 1027564267 /nfs/dbraw/zinc/56/42/67/1027564267.db2.gz XHVXOJJVVVVJOB-VIFPVBQESA-N 1 2 348.419 3.502 20 0 EHADLO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2C)sc1C ZINC000414457363 1027570082 /nfs/dbraw/zinc/57/00/82/1027570082.db2.gz JCPNLDITRVALNZ-UHFFFAOYSA-N 1 2 338.498 3.536 20 0 EHADLO CC(C)[N@H+](C)Cc1nc(COc2cccc(Cl)c2Cl)no1 ZINC000420521866 1027598965 /nfs/dbraw/zinc/59/89/65/1027598965.db2.gz HCLPAKXLYGMOBY-UHFFFAOYSA-N 1 2 330.215 3.796 20 0 EHADLO CC(C)[N@@H+](C)Cc1nc(COc2cccc(Cl)c2Cl)no1 ZINC000420521866 1027598973 /nfs/dbraw/zinc/59/89/73/1027598973.db2.gz HCLPAKXLYGMOBY-UHFFFAOYSA-N 1 2 330.215 3.796 20 0 EHADLO Fc1cc2ncnc(NCc3cccc(-n4cc[nH+]c4)c3)c2cc1F ZINC000078264666 1027605311 /nfs/dbraw/zinc/60/53/11/1027605311.db2.gz XJRDTLPKDONNQY-UHFFFAOYSA-N 1 2 337.333 3.706 20 0 EHADLO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1)c1ccccc1 ZINC000273773414 1027613209 /nfs/dbraw/zinc/61/32/09/1027613209.db2.gz ZWLVJHAZFPWCGX-WWGRRREGSA-N 1 2 346.500 3.543 20 0 EHADLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)c1cccc(OC)c1 ZINC000657612452 1027624085 /nfs/dbraw/zinc/62/40/85/1027624085.db2.gz LXRJLGRUVACFLV-OAHLLOKOSA-N 1 2 325.330 3.590 20 0 EHADLO Cc1cccc2c(-c3ccnc(NCc4cc[nH+]c(N)c4)n3)c[nH]c21 ZINC001167612638 1027636270 /nfs/dbraw/zinc/63/62/70/1027636270.db2.gz DSNFWLRQMFZWLB-UHFFFAOYSA-N 1 2 330.395 3.523 20 0 EHADLO Cc1nc(N2CC3(CCOCC3)[C@H]2c2ccco2)c2c([nH+]1)CCCC2 ZINC000664306146 1027638582 /nfs/dbraw/zinc/63/85/82/1027638582.db2.gz AFFAQHFCAWOGSI-GOSISDBHSA-N 1 2 339.439 3.615 20 0 EHADLO Cc1cc(CNC(=O)N(Cc2ccccc2F)C2CC2)cc(C)[nH+]1 ZINC000422209118 1027638809 /nfs/dbraw/zinc/63/88/09/1027638809.db2.gz NXBLRHZZUNJUOR-UHFFFAOYSA-N 1 2 327.403 3.712 20 0 EHADLO CCc1occc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282006509 1027642566 /nfs/dbraw/zinc/64/25/66/1027642566.db2.gz OZGLSGNXYRGDJA-GASCZTMLSA-N 1 2 342.439 3.704 20 0 EHADLO CCc1occc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282006509 1027642582 /nfs/dbraw/zinc/64/25/82/1027642582.db2.gz OZGLSGNXYRGDJA-GASCZTMLSA-N 1 2 342.439 3.704 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc(C)[nH+]1 ZINC000422198313 1027643126 /nfs/dbraw/zinc/64/31/26/1027643126.db2.gz CBPBPJVUYGDNHI-GUYCJALGSA-N 1 2 327.428 3.974 20 0 EHADLO Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc(C)[nH+]1 ZINC000422198304 1027643742 /nfs/dbraw/zinc/64/37/42/1027643742.db2.gz CBPBPJVUYGDNHI-CXAGYDPISA-N 1 2 327.428 3.974 20 0 EHADLO CC[C@@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000422233942 1027649258 /nfs/dbraw/zinc/64/92/58/1027649258.db2.gz WCBVZQWVMHHYKB-OAHLLOKOSA-N 1 2 348.878 3.794 20 0 EHADLO O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048191387 1027656848 /nfs/dbraw/zinc/65/68/48/1027656848.db2.gz LUDPBZILAZADBI-UHFFFAOYSA-N 1 2 338.314 3.600 20 0 EHADLO Cc1cc(N2CC3(CCOCC3)[C@@H]2c2ccco2)nc(C2CC2)[nH+]1 ZINC000664306501 1027664630 /nfs/dbraw/zinc/66/46/30/1027664630.db2.gz DJTCCBKCXMFXAR-KRWDZBQOSA-N 1 2 325.412 3.614 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000130706008 1027698094 /nfs/dbraw/zinc/69/80/94/1027698094.db2.gz ISOYAPXYHYKFPN-ZIAGYGMSSA-N 1 2 327.494 3.665 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000130706008 1027698104 /nfs/dbraw/zinc/69/81/04/1027698104.db2.gz ISOYAPXYHYKFPN-ZIAGYGMSSA-N 1 2 327.494 3.665 20 0 EHADLO COc1ccc(C(=O)Nc2cccc3[nH+]ccn32)c(OCC(C)C)c1 ZINC000475966355 1027734544 /nfs/dbraw/zinc/73/45/44/1027734544.db2.gz LEPCNXKXSYXBPJ-UHFFFAOYSA-N 1 2 339.395 3.630 20 0 EHADLO CSCc1cc(F)ccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420798812 1027739346 /nfs/dbraw/zinc/73/93/46/1027739346.db2.gz BHYMRAIOOGQVPO-UHFFFAOYSA-N 1 2 347.459 3.700 20 0 EHADLO CO[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(Cl)cc1 ZINC000420799355 1027740028 /nfs/dbraw/zinc/74/00/28/1027740028.db2.gz PEQKTTPKHZNXMB-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO O=C(NCC1=CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455142154 1027742088 /nfs/dbraw/zinc/74/20/88/1027742088.db2.gz OANHLCIAPJLPCV-UHFFFAOYSA-N 1 2 330.476 3.585 20 0 EHADLO CC(C)(C)c1cnc(C[NH+]2CCC(N3CCc4ccccc43)CC2)o1 ZINC000503395661 1027767438 /nfs/dbraw/zinc/76/74/38/1027767438.db2.gz WDRUKHSBFDRVAD-UHFFFAOYSA-N 1 2 339.483 3.999 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc(C)[nH+]1 ZINC000420840726 1027782988 /nfs/dbraw/zinc/78/29/88/1027782988.db2.gz BEQROEHTTGLFHK-QAPCUYQASA-N 1 2 341.430 3.925 20 0 EHADLO Cc1cc(CNC(=O)N(C)Cc2cccc(OC(C)C)c2)cc(C)[nH+]1 ZINC000420845313 1027786988 /nfs/dbraw/zinc/78/69/88/1027786988.db2.gz HRKQZKZANMRUOE-UHFFFAOYSA-N 1 2 341.455 3.827 20 0 EHADLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131835720 1027826288 /nfs/dbraw/zinc/82/62/88/1027826288.db2.gz YNZOQOJEKBTENZ-UYAOXDASSA-N 1 2 347.418 3.522 20 0 EHADLO CSc1cc(Br)ccc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414476713 1027830882 /nfs/dbraw/zinc/83/08/82/1027830882.db2.gz KPNLMYZJXCSXLX-CYBMUJFWSA-N 1 2 348.281 3.731 20 0 EHADLO CSc1cc(Br)ccc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000414476713 1027830900 /nfs/dbraw/zinc/83/09/00/1027830900.db2.gz KPNLMYZJXCSXLX-CYBMUJFWSA-N 1 2 348.281 3.731 20 0 EHADLO CCC1(O)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000078453106 1027846296 /nfs/dbraw/zinc/84/62/96/1027846296.db2.gz JBOBBHZVTYYCEW-UHFFFAOYSA-N 1 2 335.245 3.739 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342878996 1027849277 /nfs/dbraw/zinc/84/92/77/1027849277.db2.gz AHXAYPLUWMWBHG-QRWLVFNGSA-N 1 2 331.419 3.926 20 0 EHADLO CCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccccc1 ZINC000455257444 1027926747 /nfs/dbraw/zinc/92/67/47/1027926747.db2.gz PKFXLGARAQSURY-UHFFFAOYSA-N 1 2 349.438 3.768 20 0 EHADLO CC[C@@H]1C[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@@H](CC)O1 ZINC000420959708 1027933074 /nfs/dbraw/zinc/93/30/74/1027933074.db2.gz QRFWLNIMHWNJJF-HZPDHXFCSA-N 1 2 330.428 3.740 20 0 EHADLO CCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1CCC(C)C ZINC000455265131 1027939507 /nfs/dbraw/zinc/93/95/07/1027939507.db2.gz DBWINHQKLIYJGZ-UHFFFAOYSA-N 1 2 343.475 3.825 20 0 EHADLO Cc1nc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)sc1C ZINC000347340154 1027959499 /nfs/dbraw/zinc/95/94/99/1027959499.db2.gz PJKVNWOWZLGKJC-LSDHHAIUSA-N 1 2 334.510 3.761 20 0 EHADLO Cc1nc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)sc1C ZINC000347340154 1027959506 /nfs/dbraw/zinc/95/95/06/1027959506.db2.gz PJKVNWOWZLGKJC-LSDHHAIUSA-N 1 2 334.510 3.761 20 0 EHADLO COc1ccc(Br)cc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000564007757 1027965113 /nfs/dbraw/zinc/96/51/13/1027965113.db2.gz OCNBNZCBZSEVHD-JTQLQIEISA-N 1 2 334.204 3.935 20 0 EHADLO COc1ccc(Br)cc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000564007757 1027965124 /nfs/dbraw/zinc/96/51/24/1027965124.db2.gz OCNBNZCBZSEVHD-JTQLQIEISA-N 1 2 334.204 3.935 20 0 EHADLO CCCOc1cccc2c(N[C@H]3CCOC[C@H]3OCC)cc[nH+]c12 ZINC000503601468 1027966539 /nfs/dbraw/zinc/96/65/39/1027966539.db2.gz GATDICBRXZCIFU-FUHWJXTLSA-N 1 2 330.428 3.630 20 0 EHADLO CC/C=C\CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455335367 1028020351 /nfs/dbraw/zinc/02/03/51/1028020351.db2.gz PCKDQBHHBSZPAY-OOFWQKGWSA-N 1 2 326.444 3.507 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2[C@H](C)CC[C@H]2C)c(C)c1 ZINC000533543141 1028055248 /nfs/dbraw/zinc/05/52/48/1028055248.db2.gz FVKKRFPDXPXAMZ-LMMKCTJWSA-N 1 2 340.471 3.824 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(OC(F)(F)F)c2)cc(C)[nH+]1 ZINC000421074534 1028056955 /nfs/dbraw/zinc/05/69/55/1028056955.db2.gz VOOMLDJYDBHSAY-UHFFFAOYSA-N 1 2 339.317 3.919 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000152483375 1028078378 /nfs/dbraw/zinc/07/83/78/1028078378.db2.gz OPCBPWUQFJPION-CQSZACIVSA-N 1 2 331.847 3.532 20 0 EHADLO CC(C)OCc1ccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000423066343 1028158109 /nfs/dbraw/zinc/15/81/09/1028158109.db2.gz WPLLDTQQJLKEFP-QGZVFWFLSA-N 1 2 334.366 3.528 20 0 EHADLO COCc1cnc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)s1 ZINC000342928274 1028194615 /nfs/dbraw/zinc/19/46/15/1028194615.db2.gz BUNSVNLTLGSPSW-UHFFFAOYSA-N 1 2 338.517 3.849 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000135506083 1028198491 /nfs/dbraw/zinc/19/84/91/1028198491.db2.gz XIWGEPQSWQBQAL-UHFFFAOYSA-N 1 2 336.435 3.694 20 0 EHADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCOCC23CCC3)c1 ZINC000135506083 1028198504 /nfs/dbraw/zinc/19/85/04/1028198504.db2.gz XIWGEPQSWQBQAL-UHFFFAOYSA-N 1 2 336.435 3.694 20 0 EHADLO Cc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)o2)cc1 ZINC000135647331 1028211961 /nfs/dbraw/zinc/21/19/61/1028211961.db2.gz UHWJZLMOFRBOIB-QGZVFWFLSA-N 1 2 336.439 3.893 20 0 EHADLO Cc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)o2)cc1 ZINC000135647331 1028211978 /nfs/dbraw/zinc/21/19/78/1028211978.db2.gz UHWJZLMOFRBOIB-QGZVFWFLSA-N 1 2 336.439 3.893 20 0 EHADLO C[C@@H]1C[C@@H](CSCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000421226439 1028212679 /nfs/dbraw/zinc/21/26/79/1028212679.db2.gz OLSHTSCRKCACBO-APWZRJJASA-N 1 2 335.513 3.567 20 0 EHADLO COc1cccc(CCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455477003 1028213520 /nfs/dbraw/zinc/21/35/20/1028213520.db2.gz MAJVDKHNZFXVSW-UHFFFAOYSA-N 1 2 327.428 3.770 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)[nH+]1 ZINC000455493699 1028225779 /nfs/dbraw/zinc/22/57/79/1028225779.db2.gz MHUMSKZMJWLRFY-RKNYENMMSA-N 1 2 345.468 3.627 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)c1 ZINC000444743634 1028229557 /nfs/dbraw/zinc/22/95/57/1028229557.db2.gz ZWHWXLFJSXAKQW-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)c1 ZINC000444743634 1028229575 /nfs/dbraw/zinc/22/95/75/1028229575.db2.gz ZWHWXLFJSXAKQW-AWEZNQCLSA-N 1 2 342.414 3.796 20 0 EHADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)nn1C ZINC000421319732 1028261491 /nfs/dbraw/zinc/26/14/91/1028261491.db2.gz NVUQDIQTXRAXMH-QGZVFWFLSA-N 1 2 332.879 3.785 20 0 EHADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)nn1C ZINC000421319732 1028261505 /nfs/dbraw/zinc/26/15/05/1028261505.db2.gz NVUQDIQTXRAXMH-QGZVFWFLSA-N 1 2 332.879 3.785 20 0 EHADLO CCCc1nc(C)c(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000428377573 1028267401 /nfs/dbraw/zinc/26/74/01/1028267401.db2.gz HMUQIBFBPLHNDL-MRXNPFEDSA-N 1 2 345.462 3.953 20 0 EHADLO CCCc1nc(C)c(C[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000428377573 1028267419 /nfs/dbraw/zinc/26/74/19/1028267419.db2.gz HMUQIBFBPLHNDL-MRXNPFEDSA-N 1 2 345.462 3.953 20 0 EHADLO [NH3+][C@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1c(F)cccc1F ZINC000423204655 1028273234 /nfs/dbraw/zinc/27/32/34/1028273234.db2.gz OHNCOFQUNXPUSW-SFHVURJKSA-N 1 2 348.368 3.543 20 0 EHADLO Cc1c(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)sc2c1CCCC2 ZINC000423237435 1028278407 /nfs/dbraw/zinc/27/84/07/1028278407.db2.gz DGHXHYVFSXHMPR-OAHLLOKOSA-N 1 2 336.407 3.852 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1F ZINC000055696207 1028285409 /nfs/dbraw/zinc/28/54/09/1028285409.db2.gz FZNAJXAJBGKRJR-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO Cc1cc(CNC(=O)CCCOc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421575771 1028295847 /nfs/dbraw/zinc/29/58/47/1028295847.db2.gz KYASMDVHDPUBCT-UHFFFAOYSA-N 1 2 332.831 3.827 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCOc3c(F)cccc3C2)c(C)[nH+]1 ZINC000455523406 1028296419 /nfs/dbraw/zinc/29/64/19/1028296419.db2.gz OIBHNKHOSKAEFX-UHFFFAOYSA-N 1 2 329.375 3.572 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066563804 1028332299 /nfs/dbraw/zinc/33/22/99/1028332299.db2.gz POMCWJYLEFKSKM-ZIAGYGMSSA-N 1 2 349.525 3.697 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066563804 1028332316 /nfs/dbraw/zinc/33/23/16/1028332316.db2.gz POMCWJYLEFKSKM-ZIAGYGMSSA-N 1 2 349.525 3.697 20 0 EHADLO CC(C)(C)C1CC(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000454280865 1028342660 /nfs/dbraw/zinc/34/26/60/1028342660.db2.gz RNJKKXRRROKRPZ-UHFFFAOYSA-N 1 2 344.503 3.696 20 0 EHADLO c1cn2cc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc2s1 ZINC000066899000 1028346793 /nfs/dbraw/zinc/34/67/93/1028346793.db2.gz BDJSIKPHSJQFGI-HNNXBMFYSA-N 1 2 341.436 3.504 20 0 EHADLO c1cn2cc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)nc2s1 ZINC000066899000 1028346810 /nfs/dbraw/zinc/34/68/10/1028346810.db2.gz BDJSIKPHSJQFGI-HNNXBMFYSA-N 1 2 341.436 3.504 20 0 EHADLO CC(C)(C)c1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000067493109 1028366897 /nfs/dbraw/zinc/36/68/97/1028366897.db2.gz ABDRIJLCDVHAAK-UHFFFAOYSA-N 1 2 326.425 3.879 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccccc1Cl ZINC000067555030 1028369287 /nfs/dbraw/zinc/36/92/87/1028369287.db2.gz RSDPQQZUFMUAJY-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c[nH+]1 ZINC000455551553 1028403089 /nfs/dbraw/zinc/40/30/89/1028403089.db2.gz FUVZZMVWGAIGHN-MJGOQNOKSA-N 1 2 337.467 3.861 20 0 EHADLO CC(C)CCC[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079081725 1028468531 /nfs/dbraw/zinc/46/85/31/1028468531.db2.gz IFUMQGVJBQNGCP-KRWDZBQOSA-N 1 2 342.487 3.945 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c[nH+]1 ZINC000455562722 1028473801 /nfs/dbraw/zinc/47/38/01/1028473801.db2.gz SDSOBLTVZFNTQS-LJQANCHMSA-N 1 2 341.430 3.754 20 0 EHADLO COCCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H](C)c1ccccc1 ZINC000455563655 1028479091 /nfs/dbraw/zinc/47/90/91/1028479091.db2.gz ULFISXXFWHAURE-QGZVFWFLSA-N 1 2 341.455 3.618 20 0 EHADLO Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455564788 1028481580 /nfs/dbraw/zinc/48/15/80/1028481580.db2.gz VOTCMEOZTDWJEM-FQEVSTJZSA-N 1 2 337.467 3.924 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000342979871 1028493032 /nfs/dbraw/zinc/49/30/32/1028493032.db2.gz WBCOZCLFVCJNEP-HKUYNNGSSA-N 1 2 337.467 3.763 20 0 EHADLO C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523649832 1028500896 /nfs/dbraw/zinc/50/08/96/1028500896.db2.gz QVKNZUWICKIEEE-HIFRSBDPSA-N 1 2 331.391 3.545 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c[nH+]1 ZINC000455568949 1028515205 /nfs/dbraw/zinc/51/52/05/1028515205.db2.gz JUVHQTYYCXVHDS-TZMCWYRMSA-N 1 2 329.366 3.571 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nc(C)ncc3C2)ccc1Oc1cccnc1 ZINC000536642952 1028559960 /nfs/dbraw/zinc/55/99/60/1028559960.db2.gz KXDDQQFHCYRONN-UHFFFAOYSA-N 1 2 346.434 3.839 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nc(C)ncc3C2)ccc1Oc1cccnc1 ZINC000536642952 1028559973 /nfs/dbraw/zinc/55/99/73/1028559973.db2.gz KXDDQQFHCYRONN-UHFFFAOYSA-N 1 2 346.434 3.839 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000194997234 1028566534 /nfs/dbraw/zinc/56/65/34/1028566534.db2.gz GYBLAFFMBISENT-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO CSc1ccc(O[C@H](C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421575631 1028570844 /nfs/dbraw/zinc/57/08/44/1028570844.db2.gz KKZNFMWPEVWNBP-CQSZACIVSA-N 1 2 330.453 3.504 20 0 EHADLO CO[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1cccc(Cl)c1 ZINC000195074268 1028575989 /nfs/dbraw/zinc/57/59/89/1028575989.db2.gz UMUQYUPTHOEDNO-SJORKVTESA-N 1 2 342.830 3.525 20 0 EHADLO CC(C)(C)Cc1csc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)n1 ZINC000423788042 1028614251 /nfs/dbraw/zinc/61/42/51/1028614251.db2.gz BVPZJOUASWCRRN-CYBMUJFWSA-N 1 2 339.411 3.648 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(N3CCCC3)[nH+]cn2)cc1F ZINC000664365752 1028638484 /nfs/dbraw/zinc/63/84/84/1028638484.db2.gz OZVSMPSUBWMFFA-MRXNPFEDSA-N 1 2 342.418 3.566 20 0 EHADLO COc1ccc([C@H]2CCCN2c2cc(N3CCCC3)nc[nH+]2)cc1F ZINC000664365752 1028638486 /nfs/dbraw/zinc/63/84/86/1028638486.db2.gz OZVSMPSUBWMFFA-MRXNPFEDSA-N 1 2 342.418 3.566 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000246665229 1028674964 /nfs/dbraw/zinc/67/49/64/1028674964.db2.gz BOQAAWHSXDKJGO-KGLIPLIRSA-N 1 2 333.432 3.759 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000246665229 1028674973 /nfs/dbraw/zinc/67/49/73/1028674973.db2.gz BOQAAWHSXDKJGO-KGLIPLIRSA-N 1 2 333.432 3.759 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1F ZINC000325392870 1028690742 /nfs/dbraw/zinc/69/07/42/1028690742.db2.gz WDQSHDAGILPTER-STQMWFEESA-N 1 2 332.423 3.564 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000246811709 1028698017 /nfs/dbraw/zinc/69/80/17/1028698017.db2.gz RSLCJPSRVPWAFP-GUYCJALGSA-N 1 2 327.428 3.819 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000246811709 1028698027 /nfs/dbraw/zinc/69/80/27/1028698027.db2.gz RSLCJPSRVPWAFP-GUYCJALGSA-N 1 2 327.428 3.819 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(Cl)c1 ZINC000459384762 1028711592 /nfs/dbraw/zinc/71/15/92/1028711592.db2.gz HRLYPXKPBHPEEN-UHFFFAOYSA-N 1 2 334.822 3.779 20 0 EHADLO Cc1cc(CNc2ccc(Cn3cncn3)cc2)c2c([nH+]1)CCCC2 ZINC000892325477 1028716121 /nfs/dbraw/zinc/71/61/21/1028716121.db2.gz JVLNYCRCLMVFGS-UHFFFAOYSA-N 1 2 333.439 3.521 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000246943039 1028716589 /nfs/dbraw/zinc/71/65/89/1028716589.db2.gz AORUXZURBJCCAJ-UBHSHLNASA-N 1 2 344.377 3.524 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000246943039 1028716599 /nfs/dbraw/zinc/71/65/99/1028716599.db2.gz AORUXZURBJCCAJ-UBHSHLNASA-N 1 2 344.377 3.524 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079450512 1028732633 /nfs/dbraw/zinc/73/26/33/1028732633.db2.gz CEGNXEADZQIVNA-MOPGFXCFSA-N 1 2 340.471 3.699 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000247084606 1028740665 /nfs/dbraw/zinc/74/06/65/1028740665.db2.gz ZQNBCVUUJCAWJY-GOEBONIOSA-N 1 2 331.485 3.927 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000247084606 1028740674 /nfs/dbraw/zinc/74/06/74/1028740674.db2.gz ZQNBCVUUJCAWJY-GOEBONIOSA-N 1 2 331.485 3.927 20 0 EHADLO CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245502656 1028745996 /nfs/dbraw/zinc/74/59/96/1028745996.db2.gz CBEXJMFBUORTDP-BZSNNMDCSA-N 1 2 331.504 3.664 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000532725424 1028746328 /nfs/dbraw/zinc/74/63/28/1028746328.db2.gz VFWVKSXBSGBJAJ-ZDUSSCGKSA-N 1 2 347.311 3.686 20 0 EHADLO CNC(=O)[C@@H]1CCCC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000532725424 1028746344 /nfs/dbraw/zinc/74/63/44/1028746344.db2.gz VFWVKSXBSGBJAJ-ZDUSSCGKSA-N 1 2 347.311 3.686 20 0 EHADLO CCc1cnc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000445413366 1028756590 /nfs/dbraw/zinc/75/65/90/1028756590.db2.gz QYJJKILENJBQRI-UHFFFAOYSA-N 1 2 335.439 3.554 20 0 EHADLO CCc1cnc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000445413366 1028756603 /nfs/dbraw/zinc/75/66/03/1028756603.db2.gz QYJJKILENJBQRI-UHFFFAOYSA-N 1 2 335.439 3.554 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000162419686 1028765005 /nfs/dbraw/zinc/76/50/05/1028765005.db2.gz GFPCQYMLOGZYQH-NEPJUHHUSA-N 1 2 338.498 3.521 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000162419400 1028765861 /nfs/dbraw/zinc/76/58/61/1028765861.db2.gz GFPCQYMLOGZYQH-RYUDHWBXSA-N 1 2 338.498 3.521 20 0 EHADLO C[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)CC1 ZINC000052085693 1028771676 /nfs/dbraw/zinc/77/16/76/1028771676.db2.gz HNTNPVJVAWRZLI-AWEZNQCLSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)CC1 ZINC000052085693 1028771691 /nfs/dbraw/zinc/77/16/91/1028771691.db2.gz HNTNPVJVAWRZLI-AWEZNQCLSA-N 1 2 343.500 3.890 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324429 1028777820 /nfs/dbraw/zinc/77/78/20/1028777820.db2.gz GELOJBNIZCBFAZ-MDZRGWNJSA-N 1 2 343.446 3.701 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000247494596 1028795940 /nfs/dbraw/zinc/79/59/40/1028795940.db2.gz ZVZXRULZURUWCG-DZGCQCFKSA-N 1 2 332.473 3.570 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000247494596 1028795952 /nfs/dbraw/zinc/79/59/52/1028795952.db2.gz ZVZXRULZURUWCG-DZGCQCFKSA-N 1 2 332.473 3.570 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C(C)C)C2CC2)c(C)c1 ZINC000532752997 1028796561 /nfs/dbraw/zinc/79/65/61/1028796561.db2.gz XRAMKLJVULQKSB-IBGZPJMESA-N 1 2 340.471 3.824 20 0 EHADLO CCC[C@@H]([NH2+][C@H](C)c1ccncc1Cl)c1nnc2ccccn21 ZINC000421824247 1028810850 /nfs/dbraw/zinc/81/08/50/1028810850.db2.gz HRWYMCSLKZLFHL-IUODEOHRSA-N 1 2 329.835 3.970 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000075917220 1028823266 /nfs/dbraw/zinc/82/32/66/1028823266.db2.gz MNQKIPJZWKCXRT-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000075917220 1028823281 /nfs/dbraw/zinc/82/32/81/1028823281.db2.gz MNQKIPJZWKCXRT-UHFFFAOYSA-N 1 2 348.855 3.916 20 0 EHADLO Cc1ccccc1C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000583097794 1028825371 /nfs/dbraw/zinc/82/53/71/1028825371.db2.gz ALZPKJLIGDGZGT-FQEVSTJZSA-N 1 2 337.467 3.660 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@H](C)SCC)no2)C1(C)C ZINC000247990338 1028835953 /nfs/dbraw/zinc/83/59/53/1028835953.db2.gz JHMWSRLPRKEJBH-YNEHKIRRSA-N 1 2 327.494 3.519 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@H](C)SCC)no2)C1(C)C ZINC000247990338 1028835959 /nfs/dbraw/zinc/83/59/59/1028835959.db2.gz JHMWSRLPRKEJBH-YNEHKIRRSA-N 1 2 327.494 3.519 20 0 EHADLO Cc1[nH]c2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2c1C ZINC000248027029 1028839566 /nfs/dbraw/zinc/83/95/66/1028839566.db2.gz KOGAHURCYDNOOL-UHFFFAOYSA-N 1 2 348.450 3.710 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2csnn2)[C@H]1Sc1ccccc1 ZINC000414555226 1028854494 /nfs/dbraw/zinc/85/44/94/1028854494.db2.gz WMOKZJYNJACUMJ-DDUYRFODSA-N 1 2 335.498 3.527 20 0 EHADLO COc1ccnc(C[NH2+]Cc2cccc(OCC3CCCCC3)c2)n1 ZINC000424189145 1028875947 /nfs/dbraw/zinc/87/59/47/1028875947.db2.gz LJYFFKJHHIHHAM-UHFFFAOYSA-N 1 2 341.455 3.734 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)s1 ZINC000424201515 1028884675 /nfs/dbraw/zinc/88/46/75/1028884675.db2.gz OPAGWHSWXOUEBE-MRVPVSSYSA-N 1 2 328.796 3.573 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603125 1028912493 /nfs/dbraw/zinc/91/24/93/1028912493.db2.gz PSQLMBIITHYRGM-HZPDHXFCSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603125 1028912504 /nfs/dbraw/zinc/91/25/04/1028912504.db2.gz PSQLMBIITHYRGM-HZPDHXFCSA-N 1 2 336.794 3.637 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c(Cl)c1 ZINC000424269122 1028913706 /nfs/dbraw/zinc/91/37/06/1028913706.db2.gz LZXUEPWATXHMEL-SNVBAGLBSA-N 1 2 347.768 3.958 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421934711 1028928855 /nfs/dbraw/zinc/92/88/55/1028928855.db2.gz CVHQFIMBBDMTFM-CYBMUJFWSA-N 1 2 337.345 3.677 20 0 EHADLO CCc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126291278 1028959978 /nfs/dbraw/zinc/95/99/78/1028959978.db2.gz FKKHSIQWDLRRME-LLVKDONJSA-N 1 2 342.226 3.592 20 0 EHADLO CCc1noc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126291278 1028959996 /nfs/dbraw/zinc/95/99/96/1028959996.db2.gz FKKHSIQWDLRRME-LLVKDONJSA-N 1 2 342.226 3.592 20 0 EHADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc(Cl)o4)no3)[nH]c21 ZINC000445597281 1028981006 /nfs/dbraw/zinc/98/10/06/1028981006.db2.gz OKRQCZNPCYCJDJ-UHFFFAOYSA-N 1 2 328.759 3.953 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)n1 ZINC000424310286 1028991247 /nfs/dbraw/zinc/99/12/47/1028991247.db2.gz SBDKKRJMMVNABL-GFCCVEGCSA-N 1 2 335.835 3.777 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000504874071 1029008795 /nfs/dbraw/zinc/00/87/95/1029008795.db2.gz BXGHTVVTAVGART-BRSBDYLESA-N 1 2 343.515 3.875 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000076606336 1029020358 /nfs/dbraw/zinc/02/03/58/1029020358.db2.gz SVOCQBBKDMKXLU-UHFFFAOYSA-N 1 2 342.814 3.633 20 0 EHADLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000076606336 1029020374 /nfs/dbraw/zinc/02/03/74/1029020374.db2.gz SVOCQBBKDMKXLU-UHFFFAOYSA-N 1 2 342.814 3.633 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000249981246 1029034530 /nfs/dbraw/zinc/03/45/30/1029034530.db2.gz LJAHETWWIAGPLI-SOVGHPHASA-N 1 2 334.410 3.573 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000249981246 1029034545 /nfs/dbraw/zinc/03/45/45/1029034545.db2.gz LJAHETWWIAGPLI-SOVGHPHASA-N 1 2 334.410 3.573 20 0 EHADLO COc1cccc(C[NH2+]Cc2cn3cccc(C)c3n2)c1OC(C)C ZINC000076895088 1029056150 /nfs/dbraw/zinc/05/61/50/1029056150.db2.gz ZGCGETUQKXWVMV-UHFFFAOYSA-N 1 2 339.439 3.728 20 0 EHADLO O=C(CCc1ccncc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278111188 1029082755 /nfs/dbraw/zinc/08/27/55/1029082755.db2.gz KXXRJWYEERPIQH-UHFFFAOYSA-N 1 2 346.434 3.853 20 0 EHADLO C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123973457 1029088517 /nfs/dbraw/zinc/08/85/17/1029088517.db2.gz JFUWZWFBQHHPOB-NUJGCVRESA-N 1 2 343.496 3.615 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]Cc2cncn2Cc2ccccc2)cs1 ZINC000445777090 1029116882 /nfs/dbraw/zinc/11/68/82/1029116882.db2.gz WSKDQQCWGHHSFH-CQSZACIVSA-N 1 2 326.469 3.801 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960731 1029128174 /nfs/dbraw/zinc/12/81/74/1029128174.db2.gz AGHINPMEUMURBD-DLBZAZTESA-N 1 2 339.863 3.835 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532960731 1029128184 /nfs/dbraw/zinc/12/81/84/1029128184.db2.gz AGHINPMEUMURBD-DLBZAZTESA-N 1 2 339.863 3.835 20 0 EHADLO C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)c2cccc(F)c2O1 ZINC000445797215 1029153709 /nfs/dbraw/zinc/15/37/09/1029153709.db2.gz HHHXCYNOSBVKMB-OAHLLOKOSA-N 1 2 337.398 3.858 20 0 EHADLO CCCOc1cc(C)ccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454657741 1029174259 /nfs/dbraw/zinc/17/42/59/1029174259.db2.gz MDBXYEOHCHGHLX-UHFFFAOYSA-N 1 2 341.455 3.795 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271804001 1029179569 /nfs/dbraw/zinc/17/95/69/1029179569.db2.gz LIDBSSZKORYTEG-AEFFLSMTSA-N 1 2 325.456 3.775 20 0 EHADLO COc1ccc(-c2nc(C[NH2+][C@H](CC(F)(F)F)C(C)C)no2)cc1 ZINC000445883336 1029191467 /nfs/dbraw/zinc/19/14/67/1029191467.db2.gz DAYRMTIDRULDRS-CYBMUJFWSA-N 1 2 343.349 3.812 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccsc1 ZINC000078117824 1029214116 /nfs/dbraw/zinc/21/41/16/1029214116.db2.gz CCBFUIJBXDSVOP-OAHLLOKOSA-N 1 2 343.496 3.943 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054115 1029243069 /nfs/dbraw/zinc/24/30/69/1029243069.db2.gz YXODSELYDRCRMU-CVEARBPZSA-N 1 2 339.483 3.706 20 0 EHADLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533054115 1029243089 /nfs/dbraw/zinc/24/30/89/1029243089.db2.gz YXODSELYDRCRMU-CVEARBPZSA-N 1 2 339.483 3.706 20 0 EHADLO CCCc1ccc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C(C)C)cc1 ZINC000505106588 1029246828 /nfs/dbraw/zinc/24/68/28/1029246828.db2.gz BBRACAACNCJZIU-VQIMIIECSA-N 1 2 342.487 3.921 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCc2sccc21 ZINC000154644059 1029254928 /nfs/dbraw/zinc/25/49/28/1029254928.db2.gz CWHXXQPQBLSSNN-MRXNPFEDSA-N 1 2 337.448 3.670 20 0 EHADLO COc1ccccc1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000052183698 1029263274 /nfs/dbraw/zinc/26/32/74/1029263274.db2.gz YGWVFWJSCIPVSL-UHFFFAOYSA-N 1 2 330.359 3.907 20 0 EHADLO COc1ccccc1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000052183698 1029263291 /nfs/dbraw/zinc/26/32/91/1029263291.db2.gz YGWVFWJSCIPVSL-UHFFFAOYSA-N 1 2 330.359 3.907 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ncc(Cc2cccc(F)c2)s1 ZINC000424712912 1029263872 /nfs/dbraw/zinc/26/38/72/1029263872.db2.gz DGLVRUQXKOBBAB-UHFFFAOYSA-N 1 2 330.432 3.684 20 0 EHADLO CC(C)C(=O)NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000079873412 1029289370 /nfs/dbraw/zinc/28/93/70/1029289370.db2.gz OSGNKWBUYGIXCG-UHFFFAOYSA-N 1 2 349.525 3.608 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000285557064 1029292906 /nfs/dbraw/zinc/29/29/06/1029292906.db2.gz MUNXVCDGHQUBSD-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000285557064 1029292926 /nfs/dbraw/zinc/29/29/26/1029292926.db2.gz MUNXVCDGHQUBSD-CQSZACIVSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2coc(-c3cccs3)n2)CC1 ZINC000285564837 1029296513 /nfs/dbraw/zinc/29/65/13/1029296513.db2.gz NJCCKDJCOTVJMH-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2coc(-c3cccs3)n2)CC1 ZINC000285564837 1029296527 /nfs/dbraw/zinc/29/65/27/1029296527.db2.gz NJCCKDJCOTVJMH-AWEZNQCLSA-N 1 2 346.374 3.682 20 0 EHADLO Cc1ccc(C2CC2)c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000424729554 1029300450 /nfs/dbraw/zinc/30/04/50/1029300450.db2.gz CZACCPYVRABBBR-MRXNPFEDSA-N 1 2 337.467 3.701 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000505149259 1029305240 /nfs/dbraw/zinc/30/52/40/1029305240.db2.gz RVXDPAQCKKZJMD-GPMSIDNRSA-N 1 2 337.467 3.594 20 0 EHADLO Cc1ccncc1[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000272197489 1029355943 /nfs/dbraw/zinc/35/59/43/1029355943.db2.gz AVXLVJIFOAOYHL-XHSDSOJGSA-N 1 2 326.444 3.572 20 0 EHADLO CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000424856915 1029390456 /nfs/dbraw/zinc/39/04/56/1029390456.db2.gz VITGSRZPKNMXPU-SFHVURJKSA-N 1 2 348.450 3.842 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CN2c3cccc4cccc(c34)C2=O)on1 ZINC000054515214 1029400356 /nfs/dbraw/zinc/40/03/56/1029400356.db2.gz SLJZICUKPJKNII-MRXNPFEDSA-N 1 2 333.391 3.891 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CN2c3cccc4cccc(c34)C2=O)on1 ZINC000054515214 1029400368 /nfs/dbraw/zinc/40/03/68/1029400368.db2.gz SLJZICUKPJKNII-MRXNPFEDSA-N 1 2 333.391 3.891 20 0 EHADLO Cc1sc(C(=O)NCc2c[nH+]c(C)cc2C)cc1Br ZINC000424870240 1029401505 /nfs/dbraw/zinc/40/15/05/1029401505.db2.gz XTXOWLXSGQCGTM-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505250052 1029403749 /nfs/dbraw/zinc/40/37/49/1029403749.db2.gz ZGCQITWWSTXXSD-SDADXPQNSA-N 1 2 348.512 3.574 20 0 EHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505250052 1029403753 /nfs/dbraw/zinc/40/37/53/1029403753.db2.gz ZGCQITWWSTXXSD-SDADXPQNSA-N 1 2 348.512 3.574 20 0 EHADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000016564020 1029416248 /nfs/dbraw/zinc/41/62/48/1029416248.db2.gz NAIWRVKEZDZZLI-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000016564020 1029416258 /nfs/dbraw/zinc/41/62/58/1029416258.db2.gz NAIWRVKEZDZZLI-UHFFFAOYSA-N 1 2 332.831 3.728 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)c(C(C)C)nc2s1 ZINC000505242211 1029418622 /nfs/dbraw/zinc/41/86/22/1029418622.db2.gz IBNIPSMIGJQDAM-AWEZNQCLSA-N 1 2 329.473 3.888 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@H]3c3ccc[nH]3)c(C(C)C)nc2s1 ZINC000505242211 1029418634 /nfs/dbraw/zinc/41/86/34/1029418634.db2.gz IBNIPSMIGJQDAM-AWEZNQCLSA-N 1 2 329.473 3.888 20 0 EHADLO Cc1cn2cc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000446149253 1029437262 /nfs/dbraw/zinc/43/72/62/1029437262.db2.gz JBXNKYSBTWKFKV-UHFFFAOYSA-N 1 2 343.333 3.523 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000150855797 1029442091 /nfs/dbraw/zinc/44/20/91/1029442091.db2.gz KZWXNSGSGSSULZ-KGLIPLIRSA-N 1 2 340.402 3.827 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)s1 ZINC000545952249 1029488840 /nfs/dbraw/zinc/48/88/40/1029488840.db2.gz KWLRPKXHXABWBG-AWEZNQCLSA-N 1 2 336.423 3.792 20 0 EHADLO Cc1ccc(OCc2nn(C[N@@H+]3CCC[C@@H]3C3CC3)c(=S)o2)cc1 ZINC000728559142 1029496917 /nfs/dbraw/zinc/49/69/17/1029496917.db2.gz AHBXIJWXPSNXHA-MRXNPFEDSA-N 1 2 345.468 3.925 20 0 EHADLO Cc1ccc(OCc2nn(C[N@H+]3CCC[C@@H]3C3CC3)c(=S)o2)cc1 ZINC000728559142 1029496925 /nfs/dbraw/zinc/49/69/25/1029496925.db2.gz AHBXIJWXPSNXHA-MRXNPFEDSA-N 1 2 345.468 3.925 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)sc1C ZINC000533251857 1029529960 /nfs/dbraw/zinc/52/99/60/1029529960.db2.gz XODUZYXFWJJLJD-MRXNPFEDSA-N 1 2 347.459 3.929 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)sc1C ZINC000533251857 1029529966 /nfs/dbraw/zinc/52/99/66/1029529966.db2.gz XODUZYXFWJJLJD-MRXNPFEDSA-N 1 2 347.459 3.929 20 0 EHADLO COCC(C)(C)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000475641074 1029582786 /nfs/dbraw/zinc/58/27/86/1029582786.db2.gz SBARGBLYNGDGGJ-UHFFFAOYSA-N 1 2 330.241 3.619 20 0 EHADLO Cc1cccc2cc(-c3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)oc21 ZINC000272623700 1029538967 /nfs/dbraw/zinc/53/89/67/1029538967.db2.gz JCXFHTCOSDFUEK-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cccc2cc(-c3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)oc21 ZINC000272623700 1029538969 /nfs/dbraw/zinc/53/89/69/1029538969.db2.gz JCXFHTCOSDFUEK-HNNXBMFYSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1cc(CNc2cc[nH+]c3c(Br)cccc23)n(C)n1 ZINC000343157781 1029541392 /nfs/dbraw/zinc/54/13/92/1029541392.db2.gz HGRBHJTZIFQMKV-UHFFFAOYSA-N 1 2 331.217 3.651 20 0 EHADLO Cc1ccc(NC(=O)C[NH+]2CCC(C)(C)CC2)c(Br)c1 ZINC000533265804 1029565169 /nfs/dbraw/zinc/56/51/69/1029565169.db2.gz MRWJEJYYLNQZAF-UHFFFAOYSA-N 1 2 339.277 3.818 20 0 EHADLO CCCCOc1ncccc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647284748 1029568263 /nfs/dbraw/zinc/56/82/63/1029568263.db2.gz CLEZCGRRCHQJPV-OAHLLOKOSA-N 1 2 328.460 3.644 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)cc2c1 ZINC000272720226 1029580551 /nfs/dbraw/zinc/58/05/51/1029580551.db2.gz ZFVCJIRPPQZUCC-MRXNPFEDSA-N 1 2 327.384 3.573 20 0 EHADLO Cc1ccc2oc(-c3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)cc2c1 ZINC000272720226 1029580562 /nfs/dbraw/zinc/58/05/62/1029580562.db2.gz ZFVCJIRPPQZUCC-MRXNPFEDSA-N 1 2 327.384 3.573 20 0 EHADLO COCC(C)(C)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000475641074 1029582781 /nfs/dbraw/zinc/58/27/81/1029582781.db2.gz SBARGBLYNGDGGJ-UHFFFAOYSA-N 1 2 330.241 3.619 20 0 EHADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000080059027 1029590847 /nfs/dbraw/zinc/59/08/47/1029590847.db2.gz PITMYKXNPFUPQT-KSZLIROESA-N 1 2 347.503 3.764 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)cc3F)cn2c1 ZINC000114675185 1029593270 /nfs/dbraw/zinc/59/32/70/1029593270.db2.gz OJORNASOCOCRRY-UHFFFAOYSA-N 1 2 347.390 3.793 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000079410761 1029640199 /nfs/dbraw/zinc/64/01/99/1029640199.db2.gz HSLIVGKDGXNZMH-IBGZPJMESA-N 1 2 348.450 3.655 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000079410761 1029640203 /nfs/dbraw/zinc/64/02/03/1029640203.db2.gz HSLIVGKDGXNZMH-IBGZPJMESA-N 1 2 348.450 3.655 20 0 EHADLO Cc1nc(Cc2nn(C[NH+]3CCCCCCC3)c(=S)o2)cs1 ZINC000192451838 1029668811 /nfs/dbraw/zinc/66/88/11/1029668811.db2.gz FWONRGCMPDDKBJ-UHFFFAOYSA-N 1 2 338.502 3.785 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H]2C2CC2)c(=S)o1 ZINC000728562891 1029688940 /nfs/dbraw/zinc/68/89/40/1029688940.db2.gz QFRAHSKKKQQNSO-CQSZACIVSA-N 1 2 331.441 3.713 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H]2C2CC2)c(=S)o1 ZINC000728562891 1029688942 /nfs/dbraw/zinc/68/89/42/1029688942.db2.gz QFRAHSKKKQQNSO-CQSZACIVSA-N 1 2 331.441 3.713 20 0 EHADLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000525128389 1029699770 /nfs/dbraw/zinc/69/97/70/1029699770.db2.gz CWYDVBXAUOSKHK-KRWDZBQOSA-N 1 2 342.487 3.858 20 0 EHADLO Cc1cc(C)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000525143373 1029705798 /nfs/dbraw/zinc/70/57/98/1029705798.db2.gz MFMONRYYOFODNP-UHFFFAOYSA-N 1 2 338.386 3.513 20 0 EHADLO O=C(c1ccccc1Cl)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033391099 1029709624 /nfs/dbraw/zinc/70/96/24/1029709624.db2.gz QVRQDHHQLTURNV-TWGQIWQCSA-N 1 2 340.854 3.811 20 0 EHADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000162495153 1029715731 /nfs/dbraw/zinc/71/57/31/1029715731.db2.gz CCUHEPJQNDYSNI-UHFFFAOYSA-N 1 2 341.238 3.773 20 0 EHADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000162495153 1029715738 /nfs/dbraw/zinc/71/57/38/1029715738.db2.gz CCUHEPJQNDYSNI-UHFFFAOYSA-N 1 2 341.238 3.773 20 0 EHADLO CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc2o1 ZINC000156051994 1029731463 /nfs/dbraw/zinc/73/14/63/1029731463.db2.gz IIVQBVQTGAXBRK-GFCCVEGCSA-N 1 2 338.411 3.523 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000508690645 1029736491 /nfs/dbraw/zinc/73/64/91/1029736491.db2.gz SJJKVVIHBZEZOR-HNNXBMFYSA-N 1 2 340.467 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000508690645 1029736498 /nfs/dbraw/zinc/73/64/98/1029736498.db2.gz SJJKVVIHBZEZOR-HNNXBMFYSA-N 1 2 340.467 3.776 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428595398 1029737452 /nfs/dbraw/zinc/73/74/52/1029737452.db2.gz FVGOHMDSWUPKLE-WMZOPIPTSA-N 1 2 346.519 3.966 20 0 EHADLO Fc1cc(F)cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000533740772 1029754765 /nfs/dbraw/zinc/75/47/65/1029754765.db2.gz RKMRXVUQOCGLAW-UHFFFAOYSA-N 1 2 339.389 3.929 20 0 EHADLO CC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446698069 1029760831 /nfs/dbraw/zinc/76/08/31/1029760831.db2.gz SLEVECPGSARGHN-UHFFFAOYSA-N 1 2 348.406 3.573 20 0 EHADLO C[C@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCc2ccccc2C1 ZINC000525240867 1029763249 /nfs/dbraw/zinc/76/32/49/1029763249.db2.gz IWLJTXUOZNQALY-QFIPXVFZSA-N 1 2 345.446 3.684 20 0 EHADLO CCCC(=O)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000080364610 1029823737 /nfs/dbraw/zinc/82/37/37/1029823737.db2.gz QBQQGHZPLVXRNG-UHFFFAOYSA-N 1 2 348.406 3.863 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@H]1CCCOC1 ZINC000525463951 1029858571 /nfs/dbraw/zinc/85/85/71/1029858571.db2.gz FVMZDDDEUZLCGA-OAHLLOKOSA-N 1 2 342.439 3.583 20 0 EHADLO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)c2cnccn2)c1 ZINC000162724596 1029863312 /nfs/dbraw/zinc/86/33/12/1029863312.db2.gz LLDQSUXVCSXRQD-CQSZACIVSA-N 1 2 336.395 3.523 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000156531271 1029874500 /nfs/dbraw/zinc/87/45/00/1029874500.db2.gz YMDNRTNXFXMIMR-YJBOKZPZSA-N 1 2 325.456 3.658 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCc2ccsc2C1 ZINC000760286738 1029881375 /nfs/dbraw/zinc/88/13/75/1029881375.db2.gz YEIZPKGKESDKAT-HNNXBMFYSA-N 1 2 332.856 3.691 20 0 EHADLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCc2ccsc2C1 ZINC000760286738 1029881382 /nfs/dbraw/zinc/88/13/82/1029881382.db2.gz YEIZPKGKESDKAT-HNNXBMFYSA-N 1 2 332.856 3.691 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1Cc2ccccc2S1 ZINC000080442325 1029886538 /nfs/dbraw/zinc/88/65/38/1029886538.db2.gz MMOOIJPLYRATII-QGZVFWFLSA-N 1 2 339.395 3.667 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)s1 ZINC000453189709 1029890222 /nfs/dbraw/zinc/89/02/22/1029890222.db2.gz BMTJVBGVKZYKGC-VXGBXAGGSA-N 1 2 327.457 3.659 20 0 EHADLO CC1(O)CCC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000892338977 1029911726 /nfs/dbraw/zinc/91/17/26/1029911726.db2.gz CGZXGJIPNABEMT-UHFFFAOYSA-N 1 2 325.456 3.992 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000428694182 1029938936 /nfs/dbraw/zinc/93/89/36/1029938936.db2.gz NNNZRLGUQLLRAR-ZDUSSCGKSA-N 1 2 338.521 3.933 20 0 EHADLO CCC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000428694182 1029938951 /nfs/dbraw/zinc/93/89/51/1029938951.db2.gz NNNZRLGUQLLRAR-ZDUSSCGKSA-N 1 2 338.521 3.933 20 0 EHADLO CS(=O)(=O)c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC001213088972 1030048788 /nfs/dbraw/zinc/04/87/88/1030048788.db2.gz NESKSBUNIXTAGK-UHFFFAOYSA-N 1 2 347.827 3.877 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(F)cccc2F)c1C ZINC000058604688 1030054808 /nfs/dbraw/zinc/05/48/08/1030054808.db2.gz MUNSIKGPKMEBOV-UHFFFAOYSA-N 1 2 335.354 3.649 20 0 EHADLO CCc1nnc([C@@H](C)[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)o1 ZINC000600630096 1030084793 /nfs/dbraw/zinc/08/47/93/1030084793.db2.gz KDFUJCYOLLVEMY-LSDHHAIUSA-N 1 2 340.471 3.609 20 0 EHADLO COc1ccc(CC[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000536067969 1030084873 /nfs/dbraw/zinc/08/48/73/1030084873.db2.gz KSOXYZPABQJPPB-LJQANCHMSA-N 1 2 348.450 3.860 20 0 EHADLO COc1ccc(CC[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000536067969 1030084889 /nfs/dbraw/zinc/08/48/89/1030084889.db2.gz KSOXYZPABQJPPB-LJQANCHMSA-N 1 2 348.450 3.860 20 0 EHADLO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453316004 1030091973 /nfs/dbraw/zinc/09/19/73/1030091973.db2.gz HXGJVQMZNKRAAG-BEFAXECRSA-N 1 2 348.487 3.532 20 0 EHADLO C[C@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2sccc21 ZINC000453322502 1030102817 /nfs/dbraw/zinc/10/28/17/1030102817.db2.gz PALBMJHXVQIFQN-CABZTGNLSA-N 1 2 340.290 3.972 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000525757636 1030104339 /nfs/dbraw/zinc/10/43/39/1030104339.db2.gz VXGBNLJRFVQCRK-IBGZPJMESA-N 1 2 342.487 3.634 20 0 EHADLO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1C ZINC000453325629 1030106978 /nfs/dbraw/zinc/10/69/78/1030106978.db2.gz XMOFQLBPSHYCSA-KXBFYZLASA-N 1 2 348.487 3.586 20 0 EHADLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c(C)c1 ZINC000453327702 1030108476 /nfs/dbraw/zinc/10/84/76/1030108476.db2.gz ZVAJZQLIFRWWJF-APWZRJJASA-N 1 2 348.487 3.586 20 0 EHADLO COC(=O)c1sccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000447383439 1030151670 /nfs/dbraw/zinc/15/16/70/1030151670.db2.gz SIIYXUJWGVJZDC-UHFFFAOYSA-N 1 2 331.412 3.963 20 0 EHADLO COC(=O)c1sccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000447383439 1030151686 /nfs/dbraw/zinc/15/16/86/1030151686.db2.gz SIIYXUJWGVJZDC-UHFFFAOYSA-N 1 2 331.412 3.963 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)o1 ZINC000447394272 1030165214 /nfs/dbraw/zinc/16/52/14/1030165214.db2.gz PXMKHJDMWKXCJP-GDBMZVCRSA-N 1 2 336.439 3.803 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)o1 ZINC000447394272 1030165218 /nfs/dbraw/zinc/16/52/18/1030165218.db2.gz PXMKHJDMWKXCJP-GDBMZVCRSA-N 1 2 336.439 3.803 20 0 EHADLO C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)C1 ZINC000121104905 1030182491 /nfs/dbraw/zinc/18/24/91/1030182491.db2.gz PVMGUFFQXPIWPL-IRXDYDNUSA-N 1 2 344.503 3.650 20 0 EHADLO CC(C)CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000157025201 1030209060 /nfs/dbraw/zinc/20/90/60/1030209060.db2.gz KUPZPIFHUDINPU-UHFFFAOYSA-N 1 2 329.419 3.844 20 0 EHADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161471 1030232676 /nfs/dbraw/zinc/23/26/76/1030232676.db2.gz PSQLMBIITHYRGM-CVEARBPZSA-N 1 2 336.794 3.637 20 0 EHADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161471 1030232689 /nfs/dbraw/zinc/23/26/89/1030232689.db2.gz PSQLMBIITHYRGM-CVEARBPZSA-N 1 2 336.794 3.637 20 0 EHADLO CC(C)(C)n1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000657774557 1030249469 /nfs/dbraw/zinc/24/94/69/1030249469.db2.gz ZPGVLAXWMYWHLT-AWEZNQCLSA-N 1 2 342.270 3.768 20 0 EHADLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000157190839 1030339703 /nfs/dbraw/zinc/33/97/03/1030339703.db2.gz JZTMEASAMRSVLZ-RDTXWAMCSA-N 1 2 336.439 3.705 20 0 EHADLO CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000583638801 1030340234 /nfs/dbraw/zinc/34/02/34/1030340234.db2.gz KCYAPMOVYFTWBO-IYOUNJFTSA-N 1 2 339.863 3.507 20 0 EHADLO CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000583638801 1030340249 /nfs/dbraw/zinc/34/02/49/1030340249.db2.gz KCYAPMOVYFTWBO-IYOUNJFTSA-N 1 2 339.863 3.507 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000583639714 1030341810 /nfs/dbraw/zinc/34/18/10/1030341810.db2.gz PFUVRGCSAZUSCD-YLGOIMDESA-N 1 2 331.847 3.755 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000583639714 1030341825 /nfs/dbraw/zinc/34/18/25/1030341825.db2.gz PFUVRGCSAZUSCD-YLGOIMDESA-N 1 2 331.847 3.755 20 0 EHADLO CC(C)n1cccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000343336452 1030347951 /nfs/dbraw/zinc/34/79/51/1030347951.db2.gz XRQLQWOSPTUHRB-MRXNPFEDSA-N 1 2 341.455 3.715 20 0 EHADLO Cc1nc2sc3c(c2c(N2CC(n4cc[nH+]c4)C2)n1)CCCCC3 ZINC000532088162 1030354070 /nfs/dbraw/zinc/35/40/70/1030354070.db2.gz LVYLFUFJPACMGQ-UHFFFAOYSA-N 1 2 339.468 3.526 20 0 EHADLO CC(F)(F)CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000429725298 1030384823 /nfs/dbraw/zinc/38/48/23/1030384823.db2.gz YNCCFTDZELGAQK-CYBMUJFWSA-N 1 2 348.796 3.778 20 0 EHADLO CC[C@H](O)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000158504202 1030389409 /nfs/dbraw/zinc/38/94/09/1030389409.db2.gz HOHZJDFOZFBMAQ-KRWDZBQOSA-N 1 2 329.444 3.500 20 0 EHADLO CC[C@H](O)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000158504202 1030389426 /nfs/dbraw/zinc/38/94/26/1030389426.db2.gz HOHZJDFOZFBMAQ-KRWDZBQOSA-N 1 2 329.444 3.500 20 0 EHADLO Cc1[nH]c2c(cccc2C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1C ZINC000343343012 1030407871 /nfs/dbraw/zinc/40/78/71/1030407871.db2.gz MOKRWPOOOORPMH-UHFFFAOYSA-N 1 2 345.406 3.677 20 0 EHADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000092224572 1030411033 /nfs/dbraw/zinc/41/10/33/1030411033.db2.gz HXYCHYPWYWSIAH-MRXNPFEDSA-N 1 2 338.411 3.723 20 0 EHADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000092224572 1030411038 /nfs/dbraw/zinc/41/10/38/1030411038.db2.gz HXYCHYPWYWSIAH-MRXNPFEDSA-N 1 2 338.411 3.723 20 0 EHADLO Cc1ccc2oc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2c1 ZINC000343348552 1030437327 /nfs/dbraw/zinc/43/73/27/1030437327.db2.gz YSXYXALXOZPISJ-UHFFFAOYSA-N 1 2 332.363 3.633 20 0 EHADLO COc1cc(C[N@H+](C)Cc2cnc(C(F)(F)F)s2)ccc1O ZINC000447736198 1030459316 /nfs/dbraw/zinc/45/93/16/1030459316.db2.gz KHCLPBAXLZMDIQ-UHFFFAOYSA-N 1 2 332.347 3.508 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2cnc(C(F)(F)F)s2)ccc1O ZINC000447736198 1030459324 /nfs/dbraw/zinc/45/93/24/1030459324.db2.gz KHCLPBAXLZMDIQ-UHFFFAOYSA-N 1 2 332.347 3.508 20 0 EHADLO C[C@H](c1nc(CCCOc2cccc3ccccc32)no1)[NH+](C)C ZINC000923879363 1030481536 /nfs/dbraw/zinc/48/15/36/1030481536.db2.gz GERJXDYIUMNVJC-CQSZACIVSA-N 1 2 325.412 3.857 20 0 EHADLO C[C@H](CC(=O)N(CCc1cccc(F)c1)C1CCCC1)n1cc[nH+]c1 ZINC000567991297 1030489178 /nfs/dbraw/zinc/48/91/78/1030489178.db2.gz OPCDDYCTGACSBL-MRXNPFEDSA-N 1 2 343.446 3.987 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)nnn1-c1ccccc1 ZINC000532229321 1030492694 /nfs/dbraw/zinc/49/26/94/1030492694.db2.gz NZTVRECLKRZIAF-HUUCEWRRSA-N 1 2 338.459 3.765 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000526954303 1030502795 /nfs/dbraw/zinc/50/27/95/1030502795.db2.gz QENWWNCRRCLUQP-PHIMTYICSA-N 1 2 325.334 3.722 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000526954303 1030502803 /nfs/dbraw/zinc/50/28/03/1030502803.db2.gz QENWWNCRRCLUQP-PHIMTYICSA-N 1 2 325.334 3.722 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447825980 1030503604 /nfs/dbraw/zinc/50/36/04/1030503604.db2.gz GZRTYRKFHMXMJO-KOFHJDLBSA-N 1 2 327.827 3.808 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447825980 1030503612 /nfs/dbraw/zinc/50/36/12/1030503612.db2.gz GZRTYRKFHMXMJO-KOFHJDLBSA-N 1 2 327.827 3.808 20 0 EHADLO Cc1cccc(C2=CC[N@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)c1 ZINC000092822071 1030524614 /nfs/dbraw/zinc/52/46/14/1030524614.db2.gz MHGVNHNRMAWGHF-QGZVFWFLSA-N 1 2 345.450 3.821 20 0 EHADLO Cc1cccc(C2=CC[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)c1 ZINC000092822071 1030524627 /nfs/dbraw/zinc/52/46/27/1030524627.db2.gz MHGVNHNRMAWGHF-QGZVFWFLSA-N 1 2 345.450 3.821 20 0 EHADLO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)Nc1ccccc1F ZINC000532293520 1030528611 /nfs/dbraw/zinc/52/86/11/1030528611.db2.gz MZQLRGYVFDGVCK-UHFFFAOYSA-N 1 2 344.405 3.858 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(c3ccc(F)cc3)CC1)C2 ZINC000527013548 1030566162 /nfs/dbraw/zinc/56/61/62/1030566162.db2.gz CEGWOHWYIIHCAN-ZDUSSCGKSA-N 1 2 341.430 3.583 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(c3ccc(F)cc3)CC1)CC2 ZINC000527013548 1030566173 /nfs/dbraw/zinc/56/61/73/1030566173.db2.gz CEGWOHWYIIHCAN-ZDUSSCGKSA-N 1 2 341.430 3.583 20 0 EHADLO Cc1ccc2[nH+]cc(CN(C)Cc3nc4c(s3)CCCC4)n2c1 ZINC000093336162 1030589417 /nfs/dbraw/zinc/58/94/17/1030589417.db2.gz KFEPSLRJEIMGHX-UHFFFAOYSA-N 1 2 326.469 3.610 20 0 EHADLO COC1CCC(C[NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000892352994 1030593420 /nfs/dbraw/zinc/59/34/20/1030593420.db2.gz RRDIAPWAQOPWCR-HLVUACMISA-N 1 2 332.488 3.917 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)n1 ZINC000093364222 1030593405 /nfs/dbraw/zinc/59/34/05/1030593405.db2.gz HVMBWJUGOJJBOU-UGSOOPFHSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)n1 ZINC000093364222 1030593416 /nfs/dbraw/zinc/59/34/16/1030593416.db2.gz HVMBWJUGOJJBOU-UGSOOPFHSA-N 1 2 332.831 3.711 20 0 EHADLO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Cl)ccc1OC ZINC000157505232 1030596888 /nfs/dbraw/zinc/59/68/88/1030596888.db2.gz CVBCTQUWJGSGJI-HNNXBMFYSA-N 1 2 348.878 3.907 20 0 EHADLO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1nccs1 ZINC000093399333 1030606725 /nfs/dbraw/zinc/60/67/25/1030606725.db2.gz SDISEAOTAWPEND-ZDUSSCGKSA-N 1 2 341.436 3.517 20 0 EHADLO COc1cc(F)c(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1OC ZINC000568033103 1030620269 /nfs/dbraw/zinc/62/02/69/1030620269.db2.gz BGARDFPVCUZWES-SNVBAGLBSA-N 1 2 336.432 3.639 20 0 EHADLO CC(C)NC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000193912329 1030626078 /nfs/dbraw/zinc/62/60/78/1030626078.db2.gz NZFKJFNWLWENGM-UHFFFAOYSA-N 1 2 334.423 3.623 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000482694780 1030643716 /nfs/dbraw/zinc/64/37/16/1030643716.db2.gz DXLOXPGIODKANM-OLZOCXBDSA-N 1 2 335.448 3.906 20 0 EHADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000482694780 1030643731 /nfs/dbraw/zinc/64/37/31/1030643731.db2.gz DXLOXPGIODKANM-OLZOCXBDSA-N 1 2 335.448 3.906 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935080634 1030680990 /nfs/dbraw/zinc/68/09/90/1030680990.db2.gz IRJOMQAKEGJQAO-GMLZMKKNSA-N 1 2 336.838 3.531 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935080634 1030681001 /nfs/dbraw/zinc/68/10/01/1030681001.db2.gz IRJOMQAKEGJQAO-GMLZMKKNSA-N 1 2 336.838 3.531 20 0 EHADLO C[C@@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000482812572 1030725678 /nfs/dbraw/zinc/72/56/78/1030725678.db2.gz YBULATLNJWQZFJ-APWZRJJASA-N 1 2 339.483 3.833 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccn(C)n1 ZINC000550858183 1030729133 /nfs/dbraw/zinc/72/91/33/1030729133.db2.gz MMFQWVBDIXLBNU-CYBMUJFWSA-N 1 2 326.213 3.563 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000066563609 1030743260 /nfs/dbraw/zinc/74/32/60/1030743260.db2.gz ZHAWUCNUUAJGTI-SNVBAGLBSA-N 1 2 341.839 3.703 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000066563609 1030743275 /nfs/dbraw/zinc/74/32/75/1030743275.db2.gz ZHAWUCNUUAJGTI-SNVBAGLBSA-N 1 2 341.839 3.703 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1c[nH]c2ccccc21 ZINC000583788773 1030744893 /nfs/dbraw/zinc/74/48/93/1030744893.db2.gz BLBLKIZAOOZQCB-AWEZNQCLSA-N 1 2 336.439 3.791 20 0 EHADLO C[C@@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1c[nH]c2ccccc21 ZINC000583788773 1030744907 /nfs/dbraw/zinc/74/49/07/1030744907.db2.gz BLBLKIZAOOZQCB-AWEZNQCLSA-N 1 2 336.439 3.791 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC12CCC2 ZINC000536131681 1030782393 /nfs/dbraw/zinc/78/23/93/1030782393.db2.gz POADMMLKFPLIKV-MRXNPFEDSA-N 1 2 338.455 3.594 20 0 EHADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1Br ZINC000448215181 1030801612 /nfs/dbraw/zinc/80/16/12/1030801612.db2.gz WPYGGCBNCSDESB-CQSZACIVSA-N 1 2 334.261 3.828 20 0 EHADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1Br ZINC000448215181 1030801632 /nfs/dbraw/zinc/80/16/32/1030801632.db2.gz WPYGGCBNCSDESB-CQSZACIVSA-N 1 2 334.261 3.828 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1cc2cc(Cl)ccc2o1 ZINC000115162190 1030824927 /nfs/dbraw/zinc/82/49/27/1030824927.db2.gz PZUWKAMXTGCZDM-UHFFFAOYSA-N 1 2 329.787 3.713 20 0 EHADLO COc1ccc(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000097040131 1030884510 /nfs/dbraw/zinc/88/45/10/1030884510.db2.gz OJTZLSJUXUTODS-UHFFFAOYSA-N 1 2 328.412 3.595 20 0 EHADLO CC(C)CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000551000907 1030888409 /nfs/dbraw/zinc/88/84/09/1030888409.db2.gz VFSLGZYOGKNHRA-SFHVURJKSA-N 1 2 346.515 3.515 20 0 EHADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130905214 1030900222 /nfs/dbraw/zinc/90/02/22/1030900222.db2.gz CRRHRZRCOORTNQ-YBYGRFCBSA-N 1 2 327.799 3.558 20 0 EHADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000130905214 1030900238 /nfs/dbraw/zinc/90/02/38/1030900238.db2.gz CRRHRZRCOORTNQ-YBYGRFCBSA-N 1 2 327.799 3.558 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168150197 1030934820 /nfs/dbraw/zinc/93/48/20/1030934820.db2.gz SPUAMKILIWGUOI-KBXCAEBGSA-N 1 2 331.843 3.645 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)o1 ZINC000172533689 1030968022 /nfs/dbraw/zinc/96/80/22/1030968022.db2.gz COXNSUSWRPVXHV-UHFFFAOYSA-N 1 2 341.363 3.567 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)o1 ZINC000172533689 1030968039 /nfs/dbraw/zinc/96/80/39/1030968039.db2.gz COXNSUSWRPVXHV-UHFFFAOYSA-N 1 2 341.363 3.567 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3ccccc3n1)C2 ZINC000527523787 1030969500 /nfs/dbraw/zinc/96/95/00/1030969500.db2.gz FENKQNISRWZJHY-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3ccccc3n1)CC2 ZINC000527523787 1030969513 /nfs/dbraw/zinc/96/95/13/1030969513.db2.gz FENKQNISRWZJHY-CQSZACIVSA-N 1 2 334.423 3.825 20 0 EHADLO CC[C@H](C)[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000460527480 1030983605 /nfs/dbraw/zinc/98/36/05/1030983605.db2.gz YETQBLLEXBVFNE-SUMWQHHRSA-N 1 2 346.862 3.849 20 0 EHADLO C[N@H+](Cc1ccc(F)c(F)c1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000668210783 1030987796 /nfs/dbraw/zinc/98/77/96/1030987796.db2.gz LXDCAGHDLOHJRE-AWEZNQCLSA-N 1 2 329.749 3.923 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(F)c1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000668210783 1030987809 /nfs/dbraw/zinc/98/78/09/1030987809.db2.gz LXDCAGHDLOHJRE-AWEZNQCLSA-N 1 2 329.749 3.923 20 0 EHADLO CCC(CC)c1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)on1 ZINC000172881107 1031017628 /nfs/dbraw/zinc/01/76/28/1031017628.db2.gz JCJUAXGTWPLOMB-UHFFFAOYSA-N 1 2 345.443 3.871 20 0 EHADLO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C[C@]2(CCOC2)O1 ZINC000483185751 1031031800 /nfs/dbraw/zinc/03/18/00/1031031800.db2.gz SDXVCDGNOLLQPO-NVGVWMPQSA-N 1 2 342.266 3.861 20 0 EHADLO C[C@@H]1C[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C[C@]2(CCOC2)O1 ZINC000483185751 1031031818 /nfs/dbraw/zinc/03/18/18/1031031818.db2.gz SDXVCDGNOLLQPO-NVGVWMPQSA-N 1 2 342.266 3.861 20 0 EHADLO c1cn(CCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c2ccccc12 ZINC000343478331 1031054642 /nfs/dbraw/zinc/05/46/42/1031054642.db2.gz QMMUISPUBHFMTN-LJQANCHMSA-N 1 2 331.423 3.529 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527638037 1031065291 /nfs/dbraw/zinc/06/52/91/1031065291.db2.gz DVWSNBDAIQNNMR-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527638037 1031065310 /nfs/dbraw/zinc/06/53/10/1031065310.db2.gz DVWSNBDAIQNNMR-KRWDZBQOSA-N 1 2 330.815 3.649 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278492221 1031097718 /nfs/dbraw/zinc/09/77/18/1031097718.db2.gz JQRPREFARSWRMJ-CQSZACIVSA-N 1 2 325.387 3.993 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278492221 1031097738 /nfs/dbraw/zinc/09/77/38/1031097738.db2.gz JQRPREFARSWRMJ-CQSZACIVSA-N 1 2 325.387 3.993 20 0 EHADLO CCC1(CC)CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCS1 ZINC000343488218 1031099854 /nfs/dbraw/zinc/09/98/54/1031099854.db2.gz JSGGWOOBJYILHJ-UHFFFAOYSA-N 1 2 332.473 3.782 20 0 EHADLO C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173733747 1031101113 /nfs/dbraw/zinc/10/11/13/1031101113.db2.gz RBGBMFFOWCRAAJ-INIZCTEOSA-N 1 2 346.434 3.605 20 0 EHADLO Cc1noc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)n1 ZINC000483338605 1031114045 /nfs/dbraw/zinc/11/40/45/1031114045.db2.gz IODSNWXKJCHJQA-CHWSQXEVSA-N 1 2 330.432 3.569 20 0 EHADLO Cc1ncc(C[NH2+]Cc2ncc(Cl)cc2Br)s1 ZINC000527654920 1031114365 /nfs/dbraw/zinc/11/43/65/1031114365.db2.gz WYSBLHYSZMQXSW-UHFFFAOYSA-N 1 2 332.654 3.552 20 0 EHADLO O=C(NCc1cccnc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278499749 1031128413 /nfs/dbraw/zinc/12/84/13/1031128413.db2.gz AAIYLNPLCVTXRP-UHFFFAOYSA-N 1 2 347.422 3.603 20 0 EHADLO COc1ccc([C@H](C[NH+](C)C)NC/C=C\c2ccc(F)cc2)cc1 ZINC000551227562 1031136592 /nfs/dbraw/zinc/13/65/92/1031136592.db2.gz LYLXLAOYZGXNPO-FBQMEGEOSA-N 1 2 328.431 3.740 20 0 EHADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ncc(Br)cc1F ZINC000527708462 1031143263 /nfs/dbraw/zinc/14/32/63/1031143263.db2.gz IDONNSUAWWAFMN-VFZGTOFNSA-N 1 2 337.192 3.595 20 0 EHADLO C[C@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000483415043 1031152173 /nfs/dbraw/zinc/15/21/73/1031152173.db2.gz ZIPQDRZZURDKDE-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000483415043 1031152182 /nfs/dbraw/zinc/15/21/82/1031152182.db2.gz ZIPQDRZZURDKDE-GUYCJALGSA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@@]2(CCCOC2)O1 ZINC000483419009 1031154630 /nfs/dbraw/zinc/15/46/30/1031154630.db2.gz OSFQUAOOFAZDPH-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@@]2(CCCOC2)O1 ZINC000483419009 1031154638 /nfs/dbraw/zinc/15/46/38/1031154638.db2.gz OSFQUAOOFAZDPH-CXAGYDPISA-N 1 2 344.282 3.806 20 0 EHADLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247694325 1031165453 /nfs/dbraw/zinc/16/54/53/1031165453.db2.gz SZJIKXQSNSFPGV-LNLFQRSKSA-N 1 2 340.471 3.854 20 0 EHADLO CCc1ccc([C@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000483443494 1031174447 /nfs/dbraw/zinc/17/44/47/1031174447.db2.gz XKEWHXNPYRTTBL-HXUWFJFHSA-N 1 2 339.435 3.594 20 0 EHADLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)cc1 ZINC000483443494 1031174453 /nfs/dbraw/zinc/17/44/53/1031174453.db2.gz XKEWHXNPYRTTBL-HXUWFJFHSA-N 1 2 339.435 3.594 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(Cl)cn1 ZINC000343505287 1031178865 /nfs/dbraw/zinc/17/88/65/1031178865.db2.gz MSGOHWBPZONXLR-OTYXRUKQSA-N 1 2 329.202 3.912 20 0 EHADLO CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000448545799 1031236117 /nfs/dbraw/zinc/23/61/17/1031236117.db2.gz MDLCBCPQDYPGSR-UHFFFAOYSA-N 1 2 336.848 3.581 20 0 EHADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)cc3)n2)c1 ZINC000174654868 1031240625 /nfs/dbraw/zinc/24/06/25/1031240625.db2.gz AOOZEXBLCCHOCV-LBPRGKRZSA-N 1 2 327.359 3.735 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000477106747 1031260710 /nfs/dbraw/zinc/26/07/10/1031260710.db2.gz BEFMNRUSSDUFDY-QGZVFWFLSA-N 1 2 339.483 3.913 20 0 EHADLO Cc1cc(C)cc(CN(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000477106747 1031260724 /nfs/dbraw/zinc/26/07/24/1031260724.db2.gz BEFMNRUSSDUFDY-QGZVFWFLSA-N 1 2 339.483 3.913 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@H]2CC23CCCCC3)c1)[NH+]1CCOCC1 ZINC000477109795 1031262183 /nfs/dbraw/zinc/26/21/83/1031262183.db2.gz DLBXNXJPUZRLOQ-QFBILLFUSA-N 1 2 342.483 3.989 20 0 EHADLO C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)Cc1nccs1 ZINC000175055359 1031271785 /nfs/dbraw/zinc/27/17/85/1031271785.db2.gz KLXPEUUBMFGJSQ-UHFFFAOYSA-N 1 2 332.347 3.553 20 0 EHADLO C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)Cc1nccs1 ZINC000175055359 1031271795 /nfs/dbraw/zinc/27/17/95/1031271795.db2.gz KLXPEUUBMFGJSQ-UHFFFAOYSA-N 1 2 332.347 3.553 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000343537188 1031310383 /nfs/dbraw/zinc/31/03/83/1031310383.db2.gz ICGDDUQUMMVFEO-LQWHRVPQSA-N 1 2 339.483 3.503 20 0 EHADLO Cc1cccc(C(=O)N2CCCN(c3[nH+]ccc4ccccc43)CC2)c1 ZINC000527840135 1031312504 /nfs/dbraw/zinc/31/25/04/1031312504.db2.gz ZKIKZDPGOFYTCD-UHFFFAOYSA-N 1 2 345.446 3.896 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)c1 ZINC000175454336 1031337234 /nfs/dbraw/zinc/33/72/34/1031337234.db2.gz SMHKPMVWPGMTJB-INIZCTEOSA-N 1 2 329.362 3.505 20 0 EHADLO FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)c1 ZINC000175454336 1031337249 /nfs/dbraw/zinc/33/72/49/1031337249.db2.gz SMHKPMVWPGMTJB-INIZCTEOSA-N 1 2 329.362 3.505 20 0 EHADLO CCc1cnc(C[N@H+](C)C[C@H](O)COc2ccccc2C(C)C)s1 ZINC000175514777 1031341653 /nfs/dbraw/zinc/34/16/53/1031341653.db2.gz FFYZEGONVUEOCR-HNNXBMFYSA-N 1 2 348.512 3.701 20 0 EHADLO CCc1cnc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(C)C)s1 ZINC000175514777 1031341658 /nfs/dbraw/zinc/34/16/58/1031341658.db2.gz FFYZEGONVUEOCR-HNNXBMFYSA-N 1 2 348.512 3.701 20 0 EHADLO Cc1ccc(NC(=O)C2CCN(c3[nH+]ccc4ccccc43)CC2)nc1 ZINC000527849789 1031367445 /nfs/dbraw/zinc/36/74/45/1031367445.db2.gz IPWQNEWJVWHZRC-UHFFFAOYSA-N 1 2 346.434 3.793 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC12CCCCC2 ZINC000477240113 1031368010 /nfs/dbraw/zinc/36/80/10/1031368010.db2.gz YQHLXCOJYDXAET-GOSISDBHSA-N 1 2 342.483 3.736 20 0 EHADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(Cl)c2)o1 ZINC000116894225 1031402738 /nfs/dbraw/zinc/40/27/38/1031402738.db2.gz FPVJPXGGEOSRSH-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)o1 ZINC000116894225 1031402749 /nfs/dbraw/zinc/40/27/49/1031402749.db2.gz FPVJPXGGEOSRSH-MRXNPFEDSA-N 1 2 348.830 3.644 20 0 EHADLO C[C@@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H]1C ZINC000448639935 1031409963 /nfs/dbraw/zinc/40/99/63/1031409963.db2.gz SJYROAZHHYGESZ-AOIWGVFYSA-N 1 2 339.483 3.662 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCOC(C)C ZINC000483973521 1031413241 /nfs/dbraw/zinc/41/32/41/1031413241.db2.gz GJVQBVJLGBNYOG-MRXNPFEDSA-N 1 2 327.852 3.691 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCOC(C)C ZINC000483973521 1031413249 /nfs/dbraw/zinc/41/32/49/1031413249.db2.gz GJVQBVJLGBNYOG-MRXNPFEDSA-N 1 2 327.852 3.691 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C)c1cccc2ccccc21 ZINC000477304777 1031418112 /nfs/dbraw/zinc/41/81/12/1031418112.db2.gz FZFIAWMSGJABDS-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C)c1cccc2ccccc21 ZINC000477304777 1031418116 /nfs/dbraw/zinc/41/81/16/1031418116.db2.gz FZFIAWMSGJABDS-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000483993289 1031426633 /nfs/dbraw/zinc/42/66/33/1031426633.db2.gz KVNKUCQHTUOJOO-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000483993289 1031426640 /nfs/dbraw/zinc/42/66/40/1031426640.db2.gz KVNKUCQHTUOJOO-HNNXBMFYSA-N 1 2 342.870 3.918 20 0 EHADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccoc1 ZINC000102408802 1031448562 /nfs/dbraw/zinc/44/85/62/1031448562.db2.gz ZQDFALRTBVVXBI-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccoc1 ZINC000102408802 1031448572 /nfs/dbraw/zinc/44/85/72/1031448572.db2.gz ZQDFALRTBVVXBI-UHFFFAOYSA-N 1 2 326.318 3.759 20 0 EHADLO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347426864 1031515219 /nfs/dbraw/zinc/51/52/19/1031515219.db2.gz ITXYWCHEVZCJAI-WBVHZDCISA-N 1 2 343.446 3.534 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000343590300 1031523455 /nfs/dbraw/zinc/52/34/55/1031523455.db2.gz PCRNUCONUXHNRH-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000343590300 1031523464 /nfs/dbraw/zinc/52/34/64/1031523464.db2.gz PCRNUCONUXHNRH-CQSZACIVSA-N 1 2 342.414 3.877 20 0 EHADLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cc(F)ccc1F ZINC000177630608 1031581572 /nfs/dbraw/zinc/58/15/72/1031581572.db2.gz ZMAJRVLMYVHCSJ-MRXNPFEDSA-N 1 2 344.365 3.563 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000177963766 1031599245 /nfs/dbraw/zinc/59/92/45/1031599245.db2.gz XCCDPSOGLKIVAX-IBGZPJMESA-N 1 2 346.434 3.589 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2cccnc2C)nnn1-c1cccc(Cl)c1 ZINC000527984374 1031599794 /nfs/dbraw/zinc/59/97/94/1031599794.db2.gz FYZXXJWLEMWGTK-ZDUSSCGKSA-N 1 2 341.846 3.783 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@H]2c2cccn2C)o1 ZINC000178032038 1031607631 /nfs/dbraw/zinc/60/76/31/1031607631.db2.gz HQMNTDOAPSDSTH-SFHVURJKSA-N 1 2 336.439 3.644 20 0 EHADLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccn2C)o1 ZINC000178032038 1031607636 /nfs/dbraw/zinc/60/76/36/1031607636.db2.gz HQMNTDOAPSDSTH-SFHVURJKSA-N 1 2 336.439 3.644 20 0 EHADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000084515079 1031644801 /nfs/dbraw/zinc/64/48/01/1031644801.db2.gz ONUXSKLHRADTOZ-QGZVFWFLSA-N 1 2 345.446 3.687 20 0 EHADLO FC(F)Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000060460060 1031651978 /nfs/dbraw/zinc/65/19/78/1031651978.db2.gz IXIWUHBRPVXFSO-UHFFFAOYSA-N 1 2 332.394 3.606 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccsc2S1 ZINC000178284647 1031652253 /nfs/dbraw/zinc/65/22/53/1031652253.db2.gz JSVRBQMYGNGUEL-WCQYABFASA-N 1 2 334.514 3.781 20 0 EHADLO Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1OC(C)C ZINC000278619067 1031660841 /nfs/dbraw/zinc/66/08/41/1031660841.db2.gz JTOZVGDORDKALO-UHFFFAOYSA-N 1 2 342.443 3.848 20 0 EHADLO c1nnc([C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc2)[nH]1 ZINC000343624382 1031686080 /nfs/dbraw/zinc/68/60/80/1031686080.db2.gz YSBKQFNGZPOFEC-ROUUACIJSA-N 1 2 336.464 3.514 20 0 EHADLO O=C(CSCc1ccc(Cl)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178369140 1031689364 /nfs/dbraw/zinc/68/93/64/1031689364.db2.gz QCWIKVORFKZZSD-UHFFFAOYSA-N 1 2 345.855 3.537 20 0 EHADLO CC[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000635469481 1031702737 /nfs/dbraw/zinc/70/27/37/1031702737.db2.gz SAFXQUSSGREQSO-KGLIPLIRSA-N 1 2 331.382 3.852 20 0 EHADLO CSc1ccccc1C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484569169 1031725182 /nfs/dbraw/zinc/72/51/82/1031725182.db2.gz JVJLOGCWDXHADA-SFHVURJKSA-N 1 2 329.465 3.688 20 0 EHADLO CSc1ccccc1C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484569169 1031725198 /nfs/dbraw/zinc/72/51/98/1031725198.db2.gz JVJLOGCWDXHADA-SFHVURJKSA-N 1 2 329.465 3.688 20 0 EHADLO Nc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)sc2c1 ZINC000685268440 1031758081 /nfs/dbraw/zinc/75/80/81/1031758081.db2.gz JGVSWNATEOJYPU-UHFFFAOYSA-N 1 2 339.399 3.815 20 0 EHADLO O=C(N[C@H](c1ccco1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117583451 1031758828 /nfs/dbraw/zinc/75/88/28/1031758828.db2.gz OMNQBVGWZYXIHW-FQEVSTJZSA-N 1 2 343.386 3.985 20 0 EHADLO CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635488466 1031766696 /nfs/dbraw/zinc/76/66/96/1031766696.db2.gz WPKBTWAXWCKBDU-LSDHHAIUSA-N 1 2 339.361 3.514 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1cc(Br)cs1 ZINC000168800334 1031768517 /nfs/dbraw/zinc/76/85/17/1031768517.db2.gz NBXJYOKSMWQPKY-GFCCVEGCSA-N 1 2 334.279 3.674 20 0 EHADLO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1cc(Br)cs1 ZINC000168800334 1031768530 /nfs/dbraw/zinc/76/85/30/1031768530.db2.gz NBXJYOKSMWQPKY-GFCCVEGCSA-N 1 2 334.279 3.674 20 0 EHADLO C[N@H+](Cc1nc2cc(Br)ccc2o1)Cc1cccc(O)c1 ZINC000551975076 1031800968 /nfs/dbraw/zinc/80/09/68/1031800968.db2.gz ZUCQAHRFNRSUKQ-UHFFFAOYSA-N 1 2 347.212 3.928 20 0 EHADLO C[N@@H+](Cc1nc2cc(Br)ccc2o1)Cc1cccc(O)c1 ZINC000551975076 1031800990 /nfs/dbraw/zinc/80/09/90/1031800990.db2.gz ZUCQAHRFNRSUKQ-UHFFFAOYSA-N 1 2 347.212 3.928 20 0 EHADLO C/C(=C\c1ccccc1)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000179748510 1031807057 /nfs/dbraw/zinc/80/70/57/1031807057.db2.gz GXNQAKMURISYQA-DTQAZKPQSA-N 1 2 325.456 3.513 20 0 EHADLO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117750277 1031846733 /nfs/dbraw/zinc/84/67/33/1031846733.db2.gz NMSWXTAUKLWZDU-KBPBESRZSA-N 1 2 337.345 3.723 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000117761430 1031850556 /nfs/dbraw/zinc/85/05/56/1031850556.db2.gz ZCKGCYPNUDXGCC-LJQANCHMSA-N 1 2 335.382 3.989 20 0 EHADLO Cc1ccc(N2CCCC2)c(-c2nc(-c3c[nH+]c(N)cc3C)no2)c1 ZINC000904268937 1031897438 /nfs/dbraw/zinc/89/74/38/1031897438.db2.gz NWIJEAXQACPHIK-UHFFFAOYSA-N 1 2 335.411 3.598 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000904261200 1031906024 /nfs/dbraw/zinc/90/60/24/1031906024.db2.gz YJPMBPKWTDMUNP-JXFKEZNVSA-N 1 2 332.407 3.784 20 0 EHADLO CC(C)Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000180965848 1031930040 /nfs/dbraw/zinc/93/00/40/1031930040.db2.gz FEOZEYWKKBZOBT-UHFFFAOYSA-N 1 2 343.818 3.631 20 0 EHADLO CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C)cc1 ZINC000151717612 1031949688 /nfs/dbraw/zinc/94/96/88/1031949688.db2.gz DEXRNSFLDULSPD-MOPGFXCFSA-N 1 2 339.439 3.704 20 0 EHADLO C=Cn1cc(CNc2[nH+]c3ccc(Br)cc3n2CC)cn1 ZINC000195010437 1031955623 /nfs/dbraw/zinc/95/56/23/1031955623.db2.gz RTJBSXKVYLFFLW-UHFFFAOYSA-N 1 2 346.232 3.728 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000537852655 1031976728 /nfs/dbraw/zinc/97/67/28/1031976728.db2.gz IGLVJJTYRIVSDZ-IBGZPJMESA-N 1 2 341.499 3.908 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000537852655 1031976736 /nfs/dbraw/zinc/97/67/36/1031976736.db2.gz IGLVJJTYRIVSDZ-IBGZPJMESA-N 1 2 341.499 3.908 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000347475514 1031976943 /nfs/dbraw/zinc/97/69/43/1031976943.db2.gz XRLOENGBMOPNDC-RDJZCZTQSA-N 1 2 341.455 3.617 20 0 EHADLO C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347487536 1031989538 /nfs/dbraw/zinc/98/95/38/1031989538.db2.gz RAWDMRZIGIGNEA-MJGOQNOKSA-N 1 2 339.483 3.785 20 0 EHADLO CC[C@H]([NH2+][C@H](C)c1cc(CO)on1)c1ccccc1OC(F)F ZINC000924647745 1032009661 /nfs/dbraw/zinc/00/96/61/1032009661.db2.gz RNQFCGZVAMNDSF-MFKMUULPSA-N 1 2 326.343 3.570 20 0 EHADLO CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455815609 1032022860 /nfs/dbraw/zinc/02/28/60/1032022860.db2.gz WLNLEWIXNGWPDW-LBPRGKRZSA-N 1 2 334.370 3.933 20 0 EHADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000449013933 1032023657 /nfs/dbraw/zinc/02/36/57/1032023657.db2.gz NMDSGRZSLATWTL-OAHLLOKOSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000449013933 1032023673 /nfs/dbraw/zinc/02/36/73/1032023673.db2.gz NMDSGRZSLATWTL-OAHLLOKOSA-N 1 2 349.276 3.706 20 0 EHADLO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000278696415 1032031846 /nfs/dbraw/zinc/03/18/46/1032031846.db2.gz KUCOAWPJNBNDNE-OLZOCXBDSA-N 1 2 341.411 3.848 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1nc(Cl)ccc1Cl ZINC000052926487 1032034423 /nfs/dbraw/zinc/03/44/23/1032034423.db2.gz XALILMDAFBSBBG-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CC[C@H]([NH2+]CC(=O)NC(C)(C)CC)c1nc(C(F)(F)F)cs1 ZINC000185955389 1032038931 /nfs/dbraw/zinc/03/89/31/1032038931.db2.gz WLKNNHQAEFCAOI-VIFPVBQESA-N 1 2 337.411 3.507 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)nn1 ZINC000685429491 1033325667 /nfs/dbraw/zinc/32/56/67/1033325667.db2.gz CCRZWNWYSSFHCK-HNNXBMFYSA-N 1 2 338.377 3.739 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)nn1 ZINC000685429491 1033325684 /nfs/dbraw/zinc/32/56/84/1033325684.db2.gz CCRZWNWYSSFHCK-HNNXBMFYSA-N 1 2 338.377 3.739 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@@H+]1CCC2(CCCC2)C1 ZINC000173442444 1033336393 /nfs/dbraw/zinc/33/63/93/1033336393.db2.gz NWFZQUOWEQZXDL-UHFFFAOYSA-N 1 2 348.541 3.942 20 0 EHADLO S=c1n(CCc2cccs2)cnn1C[N@H+]1CCC2(CCCC2)C1 ZINC000173442444 1033336415 /nfs/dbraw/zinc/33/64/15/1033336415.db2.gz NWFZQUOWEQZXDL-UHFFFAOYSA-N 1 2 348.541 3.942 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCOC[C@H]1c1ccccc1Cl)C2 ZINC001168285368 1033403759 /nfs/dbraw/zinc/40/37/59/1033403759.db2.gz FYVCRFCNJQNFDB-JXFKEZNVSA-N 1 2 343.854 3.889 20 0 EHADLO COc1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@H]1c1ccccc1Cl)C2 ZINC001168285368 1033403769 /nfs/dbraw/zinc/40/37/69/1033403769.db2.gz FYVCRFCNJQNFDB-JXFKEZNVSA-N 1 2 343.854 3.889 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000358125094 1033406317 /nfs/dbraw/zinc/40/63/17/1033406317.db2.gz XVMHJIBGECDMJO-HXUWFJFHSA-N 1 2 348.450 3.593 20 0 EHADLO COCc1cc[nH+]c(N[C@@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594509952 1033415963 /nfs/dbraw/zinc/41/59/63/1033415963.db2.gz ZGLMZUSPVOLVFJ-QGZVFWFLSA-N 1 2 326.396 3.504 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000173631345 1033442207 /nfs/dbraw/zinc/44/22/07/1033442207.db2.gz XEKJKWKZLZPFTK-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000173631345 1033442219 /nfs/dbraw/zinc/44/22/19/1033442219.db2.gz XEKJKWKZLZPFTK-CCKFTAQKSA-N 1 2 331.843 3.835 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C(C)(C)[C@H]2CCCCO2)n1 ZINC000898312941 1033449136 /nfs/dbraw/zinc/44/91/36/1033449136.db2.gz PWYRZZKZGAMDCI-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO CC(C)(C)OC(=O)NCCNc1[nH+]cccc1OCc1ccccc1 ZINC000760507091 1033450083 /nfs/dbraw/zinc/45/00/83/1033450083.db2.gz LBZCNHXMYLUISU-UHFFFAOYSA-N 1 2 343.427 3.597 20 0 EHADLO C[C@@H](CCc1ccccc1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431605005 1033488291 /nfs/dbraw/zinc/48/82/91/1033488291.db2.gz AAIVOKBTIBXCPH-SFHVURJKSA-N 1 2 347.462 3.611 20 0 EHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000120201813 1033511836 /nfs/dbraw/zinc/51/18/36/1033511836.db2.gz ACNRZOGTSKMEDV-AWEZNQCLSA-N 1 2 339.464 3.730 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1Cc2c1cccc2Cl ZINC000529165553 1033532793 /nfs/dbraw/zinc/53/27/93/1033532793.db2.gz GHMSSKFXSOXWRD-INIZCTEOSA-N 1 2 345.874 3.677 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC000120273274 1033553099 /nfs/dbraw/zinc/55/30/99/1033553099.db2.gz SEWVZLZAUFWDGG-IRXDYDNUSA-N 1 2 331.504 3.808 20 0 EHADLO Cc1nc(C)c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 ZINC000685561764 1033566597 /nfs/dbraw/zinc/56/65/97/1033566597.db2.gz FIFIPDWBUNTEDZ-NXEZZACHSA-N 1 2 330.272 3.854 20 0 EHADLO C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Oc1cccc(Cl)c1 ZINC000608313437 1033615036 /nfs/dbraw/zinc/61/50/36/1033615036.db2.gz WSSIBCQGIQUMSJ-LBPRGKRZSA-N 1 2 344.802 3.577 20 0 EHADLO COCc1nc(C[NH2+]Cc2c(Cl)ccc3cccnc32)cs1 ZINC000685629415 1033641127 /nfs/dbraw/zinc/64/11/27/1033641127.db2.gz MXPJFFNPKONYSG-UHFFFAOYSA-N 1 2 333.844 3.781 20 0 EHADLO Brc1c[nH]nc1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000608384179 1033664429 /nfs/dbraw/zinc/66/44/29/1033664429.db2.gz ILBUSDFIUSVYBC-UHFFFAOYSA-N 1 2 343.228 3.524 20 0 EHADLO c1c(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)nc2ccccn12 ZINC000371579120 1033683551 /nfs/dbraw/zinc/68/35/51/1033683551.db2.gz ICHFSTNTMZKZPP-SFHVURJKSA-N 1 2 335.455 3.813 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1O ZINC000685654468 1033686890 /nfs/dbraw/zinc/68/68/90/1033686890.db2.gz LJZAPWPPISJXLA-GFCCVEGCSA-N 1 2 334.416 3.555 20 0 EHADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000608410434 1033700403 /nfs/dbraw/zinc/70/04/03/1033700403.db2.gz BDNMGDBLMGUJSR-YJBOKZPZSA-N 1 2 344.434 3.595 20 0 EHADLO Cc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000063790383 1033701084 /nfs/dbraw/zinc/70/10/84/1033701084.db2.gz DZXUDYNFAXLDMK-UHFFFAOYSA-N 1 2 336.464 3.976 20 0 EHADLO CN(CC1CCCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019113 1033712296 /nfs/dbraw/zinc/71/22/96/1033712296.db2.gz FJSVRMVDTMFNHL-UHFFFAOYSA-N 1 2 340.471 3.653 20 0 EHADLO CC(C)(C)n1ncnc1C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000669686196 1033722260 /nfs/dbraw/zinc/72/22/60/1033722260.db2.gz OTBLKERVQKTPPV-UHFFFAOYSA-N 1 2 329.835 3.525 20 0 EHADLO CCC[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(OC)cc1 ZINC000608493610 1033726178 /nfs/dbraw/zinc/72/61/78/1033726178.db2.gz KZCPLIAMCAWUIC-UHFFFAOYSA-N 1 2 343.349 3.595 20 0 EHADLO CCC[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(OC)cc1 ZINC000608493610 1033726190 /nfs/dbraw/zinc/72/61/90/1033726190.db2.gz KZCPLIAMCAWUIC-UHFFFAOYSA-N 1 2 343.349 3.595 20 0 EHADLO CC(C)(C)c1cc2cccnc2c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000529272672 1033747778 /nfs/dbraw/zinc/74/77/78/1033747778.db2.gz WSEWCGGBRJHOLA-UHFFFAOYSA-N 1 2 349.438 3.662 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000595415689 1033789918 /nfs/dbraw/zinc/78/99/18/1033789918.db2.gz MVRZETVHWFZCDF-ZDUSSCGKSA-N 1 2 345.443 3.533 20 0 EHADLO C[C@@H]([NH2+]Cc1ccco1)c1ccccc1I ZINC000381465680 1033795892 /nfs/dbraw/zinc/79/58/92/1033795892.db2.gz LCCLQMLQILTGDE-SNVBAGLBSA-N 1 2 327.165 3.735 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000595427137 1033797024 /nfs/dbraw/zinc/79/70/24/1033797024.db2.gz RBZHMGBPWATUBK-RISCZKNCSA-N 1 2 338.860 3.746 20 0 EHADLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000595427137 1033797038 /nfs/dbraw/zinc/79/70/38/1033797038.db2.gz RBZHMGBPWATUBK-RISCZKNCSA-N 1 2 338.860 3.746 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151374 1033813613 /nfs/dbraw/zinc/81/36/13/1033813613.db2.gz XTULEECBICJEOG-KDOFPFPSSA-N 1 2 330.472 3.816 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NC2CCCCC2)C2CC2)o1 ZINC000030151374 1033813628 /nfs/dbraw/zinc/81/36/28/1033813628.db2.gz XTULEECBICJEOG-KDOFPFPSSA-N 1 2 330.472 3.816 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)OC ZINC000476436393 1033836827 /nfs/dbraw/zinc/83/68/27/1033836827.db2.gz QOINHHZRYBSCNP-CRAIPNDOSA-N 1 2 349.519 3.596 20 0 EHADLO CCC(CC)[C@@H](CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)OC ZINC000476436393 1033836833 /nfs/dbraw/zinc/83/68/33/1033836833.db2.gz QOINHHZRYBSCNP-CRAIPNDOSA-N 1 2 349.519 3.596 20 0 EHADLO CCOc1cc(C[NH2+]Cc2cc(C)on2)ccc1OCC(F)(F)F ZINC000585814827 1033859874 /nfs/dbraw/zinc/85/98/74/1033859874.db2.gz PYFHSOXCWKYOKN-UHFFFAOYSA-N 1 2 344.333 3.613 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)cs1 ZINC000120511567 1033907979 /nfs/dbraw/zinc/90/79/79/1033907979.db2.gz PQGOJYVNWZVRIU-BPLDGKMQSA-N 1 2 326.506 3.876 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)cs1 ZINC000120511567 1033907992 /nfs/dbraw/zinc/90/79/92/1033907992.db2.gz PQGOJYVNWZVRIU-BPLDGKMQSA-N 1 2 326.506 3.876 20 0 EHADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC(F)F)CCS1 ZINC000174365342 1033909277 /nfs/dbraw/zinc/90/92/77/1033909277.db2.gz VNDVXVUGHOJRBF-NSHDSACASA-N 1 2 346.468 3.767 20 0 EHADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC(F)F)CCS1 ZINC000174365342 1033909282 /nfs/dbraw/zinc/90/92/82/1033909282.db2.gz VNDVXVUGHOJRBF-NSHDSACASA-N 1 2 346.468 3.767 20 0 EHADLO Cc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C)c1 ZINC000612014238 1033915448 /nfs/dbraw/zinc/91/54/48/1033915448.db2.gz IMDYGVJAMPLJQM-JFIYKMOQSA-N 1 2 325.456 3.736 20 0 EHADLO COC[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(C)o1 ZINC000084673486 1033921813 /nfs/dbraw/zinc/92/18/13/1033921813.db2.gz CYNZFFCGRHCMGO-OAHLLOKOSA-N 1 2 329.425 3.584 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000450241071 1033941225 /nfs/dbraw/zinc/94/12/25/1033941225.db2.gz JUYYCTQWAXKENK-UHFFFAOYSA-N 1 2 346.858 3.982 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000450241071 1033941238 /nfs/dbraw/zinc/94/12/38/1033941238.db2.gz JUYYCTQWAXKENK-UHFFFAOYSA-N 1 2 346.858 3.982 20 0 EHADLO C[C@H](c1ccccn1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000177000821 1033981749 /nfs/dbraw/zinc/98/17/49/1033981749.db2.gz XGUFZMFZKHDHEW-QGZVFWFLSA-N 1 2 332.451 3.509 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000450271126 1033990538 /nfs/dbraw/zinc/99/05/38/1033990538.db2.gz PHYAUORBATXXEB-UHFFFAOYSA-N 1 2 347.455 3.784 20 0 EHADLO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000450271126 1033990542 /nfs/dbraw/zinc/99/05/42/1033990542.db2.gz PHYAUORBATXXEB-UHFFFAOYSA-N 1 2 347.455 3.784 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174592615 1033992331 /nfs/dbraw/zinc/99/23/31/1033992331.db2.gz XGKMEYXISQXFQV-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174592615 1033992343 /nfs/dbraw/zinc/99/23/43/1033992343.db2.gz XGKMEYXISQXFQV-NSHDSACASA-N 1 2 338.238 3.847 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000595843705 1034005118 /nfs/dbraw/zinc/00/51/18/1034005118.db2.gz CBYQZCMZPYREBH-AWEZNQCLSA-N 1 2 338.245 3.539 20 0 EHADLO COC(=O)CC1(C[N@H+]2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000595843705 1034005134 /nfs/dbraw/zinc/00/51/34/1034005134.db2.gz CBYQZCMZPYREBH-AWEZNQCLSA-N 1 2 338.245 3.539 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000603882820 1034006447 /nfs/dbraw/zinc/00/64/47/1034006447.db2.gz YVSKUXVJXFGTAR-UHFFFAOYSA-N 1 2 337.770 3.630 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579235 1034022603 /nfs/dbraw/zinc/02/26/03/1034022603.db2.gz AHEPNAQHDLPKCF-ZFWWWQNUSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579235 1034022615 /nfs/dbraw/zinc/02/26/15/1034022615.db2.gz AHEPNAQHDLPKCF-ZFWWWQNUSA-N 1 2 336.476 3.772 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1ccncc1 ZINC000595915955 1034027859 /nfs/dbraw/zinc/02/78/59/1034027859.db2.gz JNNVTKIJYOLZSS-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccncc1 ZINC000595915955 1034027874 /nfs/dbraw/zinc/02/78/74/1034027874.db2.gz JNNVTKIJYOLZSS-IBGZPJMESA-N 1 2 338.451 3.565 20 0 EHADLO COc1ccccc1C(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000599613708 1034036451 /nfs/dbraw/zinc/03/64/51/1034036451.db2.gz QTBOOMHPYKCEST-UHFFFAOYSA-N 1 2 340.471 3.865 20 0 EHADLO COc1ccccc1C(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000599613708 1034036465 /nfs/dbraw/zinc/03/64/65/1034036465.db2.gz QTBOOMHPYKCEST-UHFFFAOYSA-N 1 2 340.471 3.865 20 0 EHADLO O=C(c1ccc(SCc2ccccc2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000603917370 1034043505 /nfs/dbraw/zinc/04/35/05/1034043505.db2.gz RWJMGQCAGPMMCJ-UHFFFAOYSA-N 1 2 349.459 3.873 20 0 EHADLO Cc1ccc2c(Cl)c(C(=O)N3CC(n4cc[nH+]c4)C3)sc2c1 ZINC000603916845 1034044104 /nfs/dbraw/zinc/04/41/04/1034044104.db2.gz IQHLIWWNTYLQHE-UHFFFAOYSA-N 1 2 331.828 3.757 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000599629278 1034054095 /nfs/dbraw/zinc/05/40/95/1034054095.db2.gz IATMPLAFFFRMMM-SFHVURJKSA-N 1 2 330.428 3.955 20 0 EHADLO CC(C)c1nnc(CNC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000892426968 1034062035 /nfs/dbraw/zinc/06/20/35/1034062035.db2.gz XVBMGPPCYALQLG-CYBMUJFWSA-N 1 2 336.530 3.650 20 0 EHADLO COc1ccnc(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)c1F ZINC000658226524 1034086106 /nfs/dbraw/zinc/08/61/06/1034086106.db2.gz CPBNCPKAYCVXCD-OAHLLOKOSA-N 1 2 330.403 3.850 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658233166 1034093037 /nfs/dbraw/zinc/09/30/37/1034093037.db2.gz OSAQVDQLWAVPCJ-LLVKDONJSA-N 1 2 335.498 3.593 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2cccc(COC(C)(C)C)c2)c1 ZINC000596110242 1034096620 /nfs/dbraw/zinc/09/66/20/1034096620.db2.gz ZAGYAHDFVGXBCO-UHFFFAOYSA-N 1 2 342.439 3.724 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)nnn1-c1ccc(C)cc1 ZINC000658242150 1034110256 /nfs/dbraw/zinc/11/02/56/1034110256.db2.gz XYCQAKJOFRJGNU-XOBRGWDASA-N 1 2 348.450 3.928 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2ncc(Br)cc2F)s1 ZINC000529528685 1034110458 /nfs/dbraw/zinc/11/04/58/1034110458.db2.gz JVCFWKAZNXJFQW-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2ncc(Br)cc2F)s1 ZINC000529528685 1034110468 /nfs/dbraw/zinc/11/04/68/1034110468.db2.gz JVCFWKAZNXJFQW-UHFFFAOYSA-N 1 2 329.238 3.985 20 0 EHADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000596226096 1034127758 /nfs/dbraw/zinc/12/77/58/1034127758.db2.gz VGSJOZKCVUGBCX-DOTOQJQBSA-N 1 2 328.387 3.684 20 0 EHADLO Cc1nc2ccccn2c1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000537614906 1034143417 /nfs/dbraw/zinc/14/34/17/1034143417.db2.gz KMRCQNAVCDCBSV-IFXJQAMLSA-N 1 2 339.414 3.744 20 0 EHADLO Cc1nc2ccccn2c1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000537614906 1034143426 /nfs/dbraw/zinc/14/34/26/1034143426.db2.gz KMRCQNAVCDCBSV-IFXJQAMLSA-N 1 2 339.414 3.744 20 0 EHADLO C[N@H+](CCc1ccccn1)Cc1ncc(Cl)cc1Br ZINC000529540762 1034146236 /nfs/dbraw/zinc/14/62/36/1034146236.db2.gz IBGFHJNCOUMBBD-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO C[N@@H+](CCc1ccccn1)Cc1ncc(Cl)cc1Br ZINC000529540762 1034146246 /nfs/dbraw/zinc/14/62/46/1034146246.db2.gz IBGFHJNCOUMBBD-UHFFFAOYSA-N 1 2 340.652 3.567 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3Cc3ccccc3C)[nH+]c12 ZINC000604027811 1034156865 /nfs/dbraw/zinc/15/68/65/1034156865.db2.gz NVLXMWZACZEADT-HXUWFJFHSA-N 1 2 347.462 3.727 20 0 EHADLO COC[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000450348876 1034161413 /nfs/dbraw/zinc/16/14/13/1034161413.db2.gz STSVGWXQEAQBIS-SNVBAGLBSA-N 1 2 339.208 3.609 20 0 EHADLO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000537617061 1034163482 /nfs/dbraw/zinc/16/34/82/1034163482.db2.gz XLKIOVASHCQQKJ-DNVCBOLYSA-N 1 2 343.423 3.727 20 0 EHADLO CCOC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)o1 ZINC000537617061 1034163492 /nfs/dbraw/zinc/16/34/92/1034163492.db2.gz XLKIOVASHCQQKJ-DNVCBOLYSA-N 1 2 343.423 3.727 20 0 EHADLO O=C1[C@H]([N@@H+]2CCc3ccsc3C2)CCCN1c1ccccc1Cl ZINC000534126923 1034165662 /nfs/dbraw/zinc/16/56/62/1034165662.db2.gz QZKVAZJBIZEQFN-MRXNPFEDSA-N 1 2 346.883 3.955 20 0 EHADLO O=C1[C@H]([N@H+]2CCc3ccsc3C2)CCCN1c1ccccc1Cl ZINC000534126923 1034165669 /nfs/dbraw/zinc/16/56/69/1034165669.db2.gz QZKVAZJBIZEQFN-MRXNPFEDSA-N 1 2 346.883 3.955 20 0 EHADLO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1nc2ccccc2s1 ZINC000120800917 1034169782 /nfs/dbraw/zinc/16/97/82/1034169782.db2.gz IEWBZCFOBBPYMI-UHFFFAOYSA-N 1 2 335.436 3.713 20 0 EHADLO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1nc2ccccc2s1 ZINC000120800917 1034169788 /nfs/dbraw/zinc/16/97/88/1034169788.db2.gz IEWBZCFOBBPYMI-UHFFFAOYSA-N 1 2 335.436 3.713 20 0 EHADLO C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120836897 1034181278 /nfs/dbraw/zinc/18/12/78/1034181278.db2.gz CLGLYEPIPQQXMQ-SJLPKXTDSA-N 1 2 331.504 3.808 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)[nH+]c12 ZINC000599903558 1034245629 /nfs/dbraw/zinc/24/56/29/1034245629.db2.gz XTKBINBAQLTXQY-RTBURBONSA-N 1 2 333.435 3.638 20 0 EHADLO COC(=O)c1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(C)s1 ZINC000089117145 1034256689 /nfs/dbraw/zinc/25/66/89/1034256689.db2.gz QFNRDATUWNKFCG-MRXNPFEDSA-N 1 2 349.452 3.617 20 0 EHADLO COC(=O)c1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(C)s1 ZINC000089117145 1034256704 /nfs/dbraw/zinc/25/67/04/1034256704.db2.gz QFNRDATUWNKFCG-MRXNPFEDSA-N 1 2 349.452 3.617 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C ZINC000596594435 1034312001 /nfs/dbraw/zinc/31/20/01/1034312001.db2.gz VDFSFHNALGKGRC-GUYCJALGSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C ZINC000596594435 1034312015 /nfs/dbraw/zinc/31/20/15/1034312015.db2.gz VDFSFHNALGKGRC-GUYCJALGSA-N 1 2 328.412 3.914 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCc2cscn2)CC1 ZINC000450434618 1034320347 /nfs/dbraw/zinc/32/03/47/1034320347.db2.gz DJPYYDZPKMLHOC-CQSZACIVSA-N 1 2 335.904 3.718 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3cccc4ccccc43)[nH+]c12 ZINC000548880882 1034364102 /nfs/dbraw/zinc/36/41/02/1034364102.db2.gz JRGQNAAYYFVZCR-UHFFFAOYSA-N 1 2 343.430 3.997 20 0 EHADLO OC[C@H](CC(F)F)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450489165 1034419590 /nfs/dbraw/zinc/41/95/90/1034419590.db2.gz PUSHAZHDYZSBBQ-ZETCQYMHSA-N 1 2 349.150 3.564 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC000761203477 1034431598 /nfs/dbraw/zinc/43/15/98/1034431598.db2.gz TWMFQZXMDZRBHO-KRWDZBQOSA-N 1 2 348.487 3.672 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC000761203477 1034431602 /nfs/dbraw/zinc/43/16/02/1034431602.db2.gz TWMFQZXMDZRBHO-KRWDZBQOSA-N 1 2 348.487 3.672 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](Cc2ccccc2)OC)n1 ZINC000450502309 1034433211 /nfs/dbraw/zinc/43/32/11/1034433211.db2.gz SDEPSLSNSFQXFH-ZBFHGGJFSA-N 1 2 349.500 3.573 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](Cc2ccccc2)OC)n1 ZINC000450502309 1034433225 /nfs/dbraw/zinc/43/32/25/1034433225.db2.gz SDEPSLSNSFQXFH-ZBFHGGJFSA-N 1 2 349.500 3.573 20 0 EHADLO CC(C)CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Cl)c1 ZINC000529696668 1034443163 /nfs/dbraw/zinc/44/31/63/1034443163.db2.gz MNQPSWLJYUYOCU-ZDUSSCGKSA-N 1 2 349.837 3.927 20 0 EHADLO CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604651961 1034444349 /nfs/dbraw/zinc/44/43/49/1034444349.db2.gz ZABVANLHYMOSOX-ZWKOTPCHSA-N 1 2 340.471 3.886 20 0 EHADLO CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450511257 1034446540 /nfs/dbraw/zinc/44/65/40/1034446540.db2.gz AVDYHALGBNBTOZ-MGPLVRAMSA-N 1 2 340.826 3.597 20 0 EHADLO Cc1ccc(-c2n[nH]cc2CNc2ccc(N3CCCCC3)c[nH+]2)o1 ZINC000121101354 1034451340 /nfs/dbraw/zinc/45/13/40/1034451340.db2.gz DSWKAVJMIMBSSB-UHFFFAOYSA-N 1 2 337.427 3.976 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000604779893 1034491592 /nfs/dbraw/zinc/49/15/92/1034491592.db2.gz JKXUDYUHRGZUTL-KRWDZBQOSA-N 1 2 348.878 3.637 20 0 EHADLO Cc1cc(NCc2ccc(OC3CCCCC3)nc2)nc(C2CC2)[nH+]1 ZINC000604757007 1034501212 /nfs/dbraw/zinc/50/12/12/1034501212.db2.gz SPOFDRZGZOHBJL-UHFFFAOYSA-N 1 2 338.455 3.803 20 0 EHADLO O=C(c1ccc(Oc2ccccc2)cn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669601447 1034562792 /nfs/dbraw/zinc/56/27/92/1034562792.db2.gz YISROHHTPIHBQE-MRXNPFEDSA-N 1 2 348.406 3.548 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)c1 ZINC000450623722 1034575984 /nfs/dbraw/zinc/57/59/84/1034575984.db2.gz NHEBDTNUWNBDFS-CQSZACIVSA-N 1 2 335.860 3.722 20 0 EHADLO Clc1cccc(O[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)c1 ZINC000450623722 1034575994 /nfs/dbraw/zinc/57/59/94/1034575994.db2.gz NHEBDTNUWNBDFS-CQSZACIVSA-N 1 2 335.860 3.722 20 0 EHADLO COC(=O)[C@@H](C)Oc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC000597177839 1034581626 /nfs/dbraw/zinc/58/16/26/1034581626.db2.gz PYSOVNRGKFAQFL-CQSZACIVSA-N 1 2 340.423 3.513 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000605051970 1034602704 /nfs/dbraw/zinc/60/27/04/1034602704.db2.gz AHKMOJFMLANFDI-QGZVFWFLSA-N 1 2 344.434 3.732 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546498 1034657251 /nfs/dbraw/zinc/65/72/51/1034657251.db2.gz PMHYASYZTSYBNG-ZDUSSCGKSA-N 1 2 330.394 3.576 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534546498 1034657260 /nfs/dbraw/zinc/65/72/60/1034657260.db2.gz PMHYASYZTSYBNG-ZDUSSCGKSA-N 1 2 330.394 3.576 20 0 EHADLO CC[C@@H](C)[C@H]([NH2+]Cc1nc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000450680022 1034677741 /nfs/dbraw/zinc/67/77/41/1034677741.db2.gz LENCTGOXRMPMDO-BZNIZROVSA-N 1 2 336.819 3.992 20 0 EHADLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450674995 1034700045 /nfs/dbraw/zinc/70/00/45/1034700045.db2.gz CQPXRKSUWVVQRB-LJQANCHMSA-N 1 2 342.487 3.964 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCc4sccc4C3)C2=O)c1 ZINC000605316195 1034708591 /nfs/dbraw/zinc/70/85/91/1034708591.db2.gz JSOWCPNTSBALRY-MRXNPFEDSA-N 1 2 344.455 3.749 20 0 EHADLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCc4sccc4C3)C2=O)c1 ZINC000605316195 1034708601 /nfs/dbraw/zinc/70/86/01/1034708601.db2.gz JSOWCPNTSBALRY-MRXNPFEDSA-N 1 2 344.455 3.749 20 0 EHADLO COCC[C@H]([NH2+]Cc1ccn(CCc2ccccc2)n1)c1ccco1 ZINC000450729257 1034734827 /nfs/dbraw/zinc/73/48/27/1034734827.db2.gz RPNWVVDUCMCCRD-IBGZPJMESA-N 1 2 339.439 3.586 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000612317811 1034772046 /nfs/dbraw/zinc/77/20/46/1034772046.db2.gz FNEJCUADPLZKNT-CPUCHLNUSA-N 1 2 347.409 3.705 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)c[nH+]1 ZINC000456834623 1034778227 /nfs/dbraw/zinc/77/82/27/1034778227.db2.gz HZNUFXACSHLGKG-UHFFFAOYSA-N 1 2 344.283 3.925 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450757102 1034778394 /nfs/dbraw/zinc/77/83/94/1034778394.db2.gz MUBSQGRADXBNKP-LLVKDONJSA-N 1 2 345.315 3.713 20 0 EHADLO Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450757102 1034778400 /nfs/dbraw/zinc/77/84/00/1034778400.db2.gz MUBSQGRADXBNKP-LLVKDONJSA-N 1 2 345.315 3.713 20 0 EHADLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc(OC)c1C(C)C ZINC000456836336 1034781519 /nfs/dbraw/zinc/78/15/19/1034781519.db2.gz JRNSMYUDRDTSOL-UHFFFAOYSA-N 1 2 342.439 3.769 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000601936650 1034814337 /nfs/dbraw/zinc/81/43/37/1034814337.db2.gz XBPPOJYMHBHNHB-STQMWFEESA-N 1 2 332.400 3.660 20 0 EHADLO COCC[C@H](Nc1cc[nH+]c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000450809837 1034819183 /nfs/dbraw/zinc/81/91/83/1034819183.db2.gz XIZFEILJGWLMEX-AWEZNQCLSA-N 1 2 325.334 3.994 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000278793810 1034852373 /nfs/dbraw/zinc/85/23/73/1034852373.db2.gz QPZGZSUEHKRWFP-VIFPVBQESA-N 1 2 343.301 3.658 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939028 1034902809 /nfs/dbraw/zinc/90/28/09/1034902809.db2.gz HDQMRKSQFKRRIK-XPTSAGLGSA-N 1 2 338.238 3.699 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000569939028 1034902812 /nfs/dbraw/zinc/90/28/12/1034902812.db2.gz HDQMRKSQFKRRIK-XPTSAGLGSA-N 1 2 338.238 3.699 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450907284 1034929422 /nfs/dbraw/zinc/92/94/22/1034929422.db2.gz FRTCETQTNDXOQN-KRWDZBQOSA-N 1 2 326.419 3.866 20 0 EHADLO Cc1cc(F)ccc1[C@@H]1CCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000450907284 1034929429 /nfs/dbraw/zinc/92/94/29/1034929429.db2.gz FRTCETQTNDXOQN-KRWDZBQOSA-N 1 2 326.419 3.866 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095015 1034938964 /nfs/dbraw/zinc/93/89/64/1034938964.db2.gz MMBVBWRAUYJGFJ-CYBMUJFWSA-N 1 2 347.409 3.514 20 0 EHADLO CC(C)(C)[C@@H]1CC[N@@H+](Cn2nc(-c3c(F)cccc3F)ccc2=O)C1 ZINC000530095015 1034938972 /nfs/dbraw/zinc/93/89/72/1034938972.db2.gz MMBVBWRAUYJGFJ-CYBMUJFWSA-N 1 2 347.409 3.514 20 0 EHADLO CC(C)Sc1ccc(C[NH+]2CCC(c3n[nH]c(=O)o3)CC2)cc1 ZINC000450920681 1034948430 /nfs/dbraw/zinc/94/84/30/1034948430.db2.gz ZXBXALMKRHTBOG-UHFFFAOYSA-N 1 2 333.457 3.655 20 0 EHADLO CC(C)C[C@@H]1CCC[N@@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097357 1034957915 /nfs/dbraw/zinc/95/79/15/1034957915.db2.gz WSQOFUXVOVWYFE-AWEZNQCLSA-N 1 2 347.409 3.657 20 0 EHADLO CC(C)C[C@@H]1CCC[N@H+]1Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530097357 1034957922 /nfs/dbraw/zinc/95/79/22/1034957922.db2.gz WSQOFUXVOVWYFE-AWEZNQCLSA-N 1 2 347.409 3.657 20 0 EHADLO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CCCCO ZINC000303411397 1034962324 /nfs/dbraw/zinc/96/23/24/1034962324.db2.gz XBDINQACMZCCLJ-OAHLLOKOSA-N 1 2 345.270 3.559 20 0 EHADLO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CCCCO ZINC000303411397 1034962336 /nfs/dbraw/zinc/96/23/36/1034962336.db2.gz XBDINQACMZCCLJ-OAHLLOKOSA-N 1 2 345.270 3.559 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1C ZINC000451023902 1035020627 /nfs/dbraw/zinc/02/06/27/1035020627.db2.gz MBRPVMKNFDAGRW-SFHVURJKSA-N 1 2 349.478 3.665 20 0 EHADLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1C ZINC000451023902 1035020633 /nfs/dbraw/zinc/02/06/33/1035020633.db2.gz MBRPVMKNFDAGRW-SFHVURJKSA-N 1 2 349.478 3.665 20 0 EHADLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2cc(C)cs2)cc1 ZINC000451004937 1035024242 /nfs/dbraw/zinc/02/42/42/1035024242.db2.gz QRDHVLIJOAQNEB-UHFFFAOYSA-N 1 2 338.498 3.699 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451027724 1035047637 /nfs/dbraw/zinc/04/76/37/1035047637.db2.gz QBYSKUCPTZYASD-UHFFFAOYSA-N 1 2 344.462 3.810 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451027724 1035047646 /nfs/dbraw/zinc/04/76/46/1035047646.db2.gz QBYSKUCPTZYASD-UHFFFAOYSA-N 1 2 344.462 3.810 20 0 EHADLO CCc1ncc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)s1 ZINC000350088110 1035069048 /nfs/dbraw/zinc/06/90/48/1035069048.db2.gz VBHIMKTVQQGLFP-UHFFFAOYSA-N 1 2 335.448 3.694 20 0 EHADLO CCc1ncc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)s1 ZINC000350088110 1035069057 /nfs/dbraw/zinc/06/90/57/1035069057.db2.gz VBHIMKTVQQGLFP-UHFFFAOYSA-N 1 2 335.448 3.694 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(-c2ccccn2)n1 ZINC000066019437 1035140055 /nfs/dbraw/zinc/14/00/55/1035140055.db2.gz CXBOLLLPPAJZQA-UHFFFAOYSA-N 1 2 347.403 3.643 20 0 EHADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000926691253 1035164547 /nfs/dbraw/zinc/16/45/47/1035164547.db2.gz YZJRBEMXLLUZMA-TZMCWYRMSA-N 1 2 332.366 3.840 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612997455 1035344384 /nfs/dbraw/zinc/34/43/84/1035344384.db2.gz YOYBEEFYMPAJHW-UHOFOFEASA-N 1 2 338.854 3.777 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612997455 1035344391 /nfs/dbraw/zinc/34/43/91/1035344391.db2.gz YOYBEEFYMPAJHW-UHOFOFEASA-N 1 2 338.854 3.777 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)s1 ZINC000414086799 1035470360 /nfs/dbraw/zinc/47/03/60/1035470360.db2.gz ZZTITEKPWOGNBX-JTQLQIEISA-N 1 2 348.399 3.974 20 0 EHADLO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cc2n(n1)CCC2 ZINC000414089346 1035471789 /nfs/dbraw/zinc/47/17/89/1035471789.db2.gz JZPIGFNWMCKHPC-SJCJKPOMSA-N 1 2 329.419 3.921 20 0 EHADLO COc1ccc([C@@H](C)[C@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000571447592 1035498182 /nfs/dbraw/zinc/49/81/82/1035498182.db2.gz FPBNGNHDXSEHMO-HOTGVXAUSA-N 1 2 336.439 3.939 20 0 EHADLO C[C@H]1CCSCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000429776384 1035515539 /nfs/dbraw/zinc/51/55/39/1035515539.db2.gz ROGHESZFUXUPQN-JTQLQIEISA-N 1 2 330.284 3.969 20 0 EHADLO C[C@H]1CCSCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000429776384 1035515547 /nfs/dbraw/zinc/51/55/47/1035515547.db2.gz ROGHESZFUXUPQN-JTQLQIEISA-N 1 2 330.284 3.969 20 0 EHADLO COCC1=CC[N@H+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000185835892 1035517921 /nfs/dbraw/zinc/51/79/21/1035517921.db2.gz NSHYSKRKZXXLLV-UHFFFAOYSA-N 1 2 328.481 3.707 20 0 EHADLO COCC1=CC[N@@H+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000185835892 1035517928 /nfs/dbraw/zinc/51/79/28/1035517928.db2.gz NSHYSKRKZXXLLV-UHFFFAOYSA-N 1 2 328.481 3.707 20 0 EHADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)cc1OCc1ccccc1 ZINC000511475564 1035519088 /nfs/dbraw/zinc/51/90/88/1035519088.db2.gz VMJXSEKHKLCWQW-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO COc1ccc(C[N@H+]2CCOCC2(C)C)cc1OCc1ccccc1 ZINC000511475564 1035519095 /nfs/dbraw/zinc/51/90/95/1035519095.db2.gz VMJXSEKHKLCWQW-UHFFFAOYSA-N 1 2 341.451 3.885 20 0 EHADLO COc1ccccc1/C=C\C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000571570497 1035539878 /nfs/dbraw/zinc/53/98/78/1035539878.db2.gz DQQAUAVDYLQRMU-VURMDHGXSA-N 1 2 342.405 3.667 20 0 EHADLO COc1ccccc1/C=C\C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000571570497 1035539892 /nfs/dbraw/zinc/53/98/92/1035539892.db2.gz DQQAUAVDYLQRMU-VURMDHGXSA-N 1 2 342.405 3.667 20 0 EHADLO CCc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000186078557 1035577055 /nfs/dbraw/zinc/57/70/55/1035577055.db2.gz WFWPXEDUIQOVJF-CQSZACIVSA-N 1 2 334.423 3.629 20 0 EHADLO Cc1cc(N2CC[C@H](OCCCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000431801500 1035611697 /nfs/dbraw/zinc/61/16/97/1035611697.db2.gz SDEGRFXOONWABF-IBGZPJMESA-N 1 2 337.467 3.891 20 0 EHADLO CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000457014893 1035615368 /nfs/dbraw/zinc/61/53/68/1035615368.db2.gz KQXPRTFCIRQAFI-QGZVFWFLSA-N 1 2 325.456 3.830 20 0 EHADLO COc1cc(C)[nH+]c(CS[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000540725330 1035631896 /nfs/dbraw/zinc/63/18/96/1035631896.db2.gz VSWACIILDWARQL-AWEZNQCLSA-N 1 2 340.452 3.974 20 0 EHADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@H](C)C1 ZINC000457003326 1035632646 /nfs/dbraw/zinc/63/26/46/1035632646.db2.gz NMOMHAPEJXUTMB-JENIJYKNSA-N 1 2 339.483 3.805 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000666162621 1035675053 /nfs/dbraw/zinc/67/50/53/1035675053.db2.gz CAKWILHTASNQBB-WMLDXEAASA-N 1 2 344.434 3.835 20 0 EHADLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cncc(F)c1 ZINC000186633324 1035675797 /nfs/dbraw/zinc/67/57/97/1035675797.db2.gz PRYRGMBWCLNYBT-SGTLLEGYSA-N 1 2 328.366 3.534 20 0 EHADLO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414130358 1035682112 /nfs/dbraw/zinc/68/21/12/1035682112.db2.gz JKRUKLXSVPMLCN-MNOVXSKESA-N 1 2 338.249 3.603 20 0 EHADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 ZINC000187018239 1035742255 /nfs/dbraw/zinc/74/22/55/1035742255.db2.gz IPPNGGPBKPHNTC-GOSISDBHSA-N 1 2 343.858 3.589 20 0 EHADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 ZINC000187018239 1035742274 /nfs/dbraw/zinc/74/22/74/1035742274.db2.gz IPPNGGPBKPHNTC-GOSISDBHSA-N 1 2 343.858 3.589 20 0 EHADLO CCCNc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414144149 1035751548 /nfs/dbraw/zinc/75/15/48/1035751548.db2.gz LUOBDYKYKWNKJE-GFCCVEGCSA-N 1 2 333.457 3.602 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000571810657 1035765516 /nfs/dbraw/zinc/76/55/16/1035765516.db2.gz MTMOZDUJLFCLRA-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000571810657 1035765528 /nfs/dbraw/zinc/76/55/28/1035765528.db2.gz MTMOZDUJLFCLRA-SJLPKXTDSA-N 1 2 339.439 3.579 20 0 EHADLO Cc1ccc(CSc2nnc(COc3ccccc3)n2C)c(C)[nH+]1 ZINC000187344121 1035795458 /nfs/dbraw/zinc/79/54/58/1035795458.db2.gz XDZWQEKRUSPLTH-UHFFFAOYSA-N 1 2 340.452 3.698 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@H+](C)Cc1ccsc1)c1ccccc1 ZINC000613432896 1035865131 /nfs/dbraw/zinc/86/51/31/1035865131.db2.gz MPGPYMGMDAHDOY-SFHVURJKSA-N 1 2 330.497 3.736 20 0 EHADLO CC(C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccsc1)c1ccccc1 ZINC000613432896 1035865155 /nfs/dbraw/zinc/86/51/55/1035865155.db2.gz MPGPYMGMDAHDOY-SFHVURJKSA-N 1 2 330.497 3.736 20 0 EHADLO COC[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230347412 1035905923 /nfs/dbraw/zinc/90/59/23/1035905923.db2.gz CDPNUTGJFSEDHZ-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230347412 1035905939 /nfs/dbraw/zinc/90/59/39/1035905939.db2.gz CDPNUTGJFSEDHZ-JTQLQIEISA-N 1 2 334.204 3.586 20 0 EHADLO CCOc1ccc(N(CC)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000588359796 1035910377 /nfs/dbraw/zinc/91/03/77/1035910377.db2.gz FNVXHOOTDHSCTL-UHFFFAOYSA-N 1 2 337.423 3.637 20 0 EHADLO Cc1nc(NCc2ccccc2COC(C)C)c2c([nH+]1)CCCC2 ZINC000541090866 1035975743 /nfs/dbraw/zinc/97/57/43/1035975743.db2.gz NDHMSHMPCBISTM-UHFFFAOYSA-N 1 2 325.456 3.623 20 0 EHADLO FC(F)Oc1ccc([C@H]([NH2+]Cc2cc[nH]n2)c2ccccc2)cc1 ZINC000171127291 1035976601 /nfs/dbraw/zinc/97/66/01/1035976601.db2.gz WIKDXUNGSVMWBA-QGZVFWFLSA-N 1 2 329.350 3.890 20 0 EHADLO CCc1cc(N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)nc(C)[nH+]1 ZINC000541090347 1035978076 /nfs/dbraw/zinc/97/80/76/1035978076.db2.gz ODMHRKHQXRFXEF-YVEFUNNKSA-N 1 2 331.847 3.967 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000463966087 1036011688 /nfs/dbraw/zinc/01/16/88/1036011688.db2.gz SGJORMYXHAZFHR-NZSAHSFTSA-N 1 2 340.471 3.558 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1NC1CCCCC1 ZINC000913947377 1036015942 /nfs/dbraw/zinc/01/59/42/1036015942.db2.gz AHFQZCDTCGZUCK-UHFFFAOYSA-N 1 2 326.444 3.736 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000189148832 1036023059 /nfs/dbraw/zinc/02/30/59/1036023059.db2.gz BMUNZVDSUAJLOM-QGZVFWFLSA-N 1 2 345.855 3.963 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000189148832 1036023079 /nfs/dbraw/zinc/02/30/79/1036023079.db2.gz BMUNZVDSUAJLOM-QGZVFWFLSA-N 1 2 345.855 3.963 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(OC)c(O)c2)c1C ZINC000174625651 1036034581 /nfs/dbraw/zinc/03/45/81/1036034581.db2.gz BYXVBPPMSIIEBU-UHFFFAOYSA-N 1 2 344.455 3.544 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(OC)c(O)c2)c1C ZINC000174625651 1036034603 /nfs/dbraw/zinc/03/46/03/1036034603.db2.gz BYXVBPPMSIIEBU-UHFFFAOYSA-N 1 2 344.455 3.544 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)c(Br)c1 ZINC000535115433 1036038859 /nfs/dbraw/zinc/03/88/59/1036038859.db2.gz GGIDFVDRZXMUJM-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000613486002 1036050615 /nfs/dbraw/zinc/05/06/15/1036050615.db2.gz KGTROAUPFWUTOH-OAHLLOKOSA-N 1 2 330.859 3.991 20 0 EHADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000613486002 1036050630 /nfs/dbraw/zinc/05/06/30/1036050630.db2.gz KGTROAUPFWUTOH-OAHLLOKOSA-N 1 2 330.859 3.991 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163905 1036051897 /nfs/dbraw/zinc/05/18/97/1036051897.db2.gz QGUXDPQQWSMOOQ-DOTOQJQBSA-N 1 2 342.405 3.792 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163905 1036051913 /nfs/dbraw/zinc/05/19/13/1036051913.db2.gz QGUXDPQQWSMOOQ-DOTOQJQBSA-N 1 2 342.405 3.792 20 0 EHADLO COc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)cc1 ZINC000613484770 1036056189 /nfs/dbraw/zinc/05/61/89/1036056189.db2.gz MTDTXGKIDXSKEB-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO COc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)cc1 ZINC000613484770 1036056208 /nfs/dbraw/zinc/05/62/08/1036056208.db2.gz MTDTXGKIDXSKEB-CQSZACIVSA-N 1 2 346.858 3.658 20 0 EHADLO C[C@H](O)[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1F ZINC000572412542 1036082555 /nfs/dbraw/zinc/08/25/55/1036082555.db2.gz NIJHCLFDZTVTQB-CJHVETNYSA-N 1 2 339.332 3.942 20 0 EHADLO CC1CC[NH+](Cc2ccccc2CNc2[nH+]cccc2C(=O)[O-])CC1 ZINC000613493978 1036095134 /nfs/dbraw/zinc/09/51/34/1036095134.db2.gz MUOBTHPELQGMQZ-UHFFFAOYSA-N 1 2 339.439 3.624 20 0 EHADLO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000588812325 1036100771 /nfs/dbraw/zinc/10/07/71/1036100771.db2.gz FPEJGXSGOJTXSA-GFCCVEGCSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000588812325 1036100778 /nfs/dbraw/zinc/10/07/78/1036100778.db2.gz FPEJGXSGOJTXSA-GFCCVEGCSA-N 1 2 325.334 3.819 20 0 EHADLO Cc1ccccc1CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238952 1036109777 /nfs/dbraw/zinc/10/97/77/1036109777.db2.gz ZVLBJHBKLHXCGD-UHFFFAOYSA-N 1 2 339.483 3.843 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCOCC1CC1 ZINC000428778792 1036110175 /nfs/dbraw/zinc/11/01/75/1036110175.db2.gz BALJUBYHVLVAQU-SUMWQHHRSA-N 1 2 343.389 3.894 20 0 EHADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCOCC1CC1 ZINC000428778792 1036110181 /nfs/dbraw/zinc/11/01/81/1036110181.db2.gz BALJUBYHVLVAQU-SUMWQHHRSA-N 1 2 343.389 3.894 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3[nH]ccc3C3CC3)n2)C1 ZINC000457483858 1036155378 /nfs/dbraw/zinc/15/53/78/1036155378.db2.gz MKGFKBRKLHKCSC-GFCCVEGCSA-N 1 2 344.484 3.833 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3[nH]ccc3C3CC3)n2)C1 ZINC000457483858 1036155385 /nfs/dbraw/zinc/15/53/85/1036155385.db2.gz MKGFKBRKLHKCSC-GFCCVEGCSA-N 1 2 344.484 3.833 20 0 EHADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000457483263 1036158388 /nfs/dbraw/zinc/15/83/88/1036158388.db2.gz MFBWPAACHVZSRN-NSHDSACASA-N 1 2 349.422 3.902 20 0 EHADLO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175082970 1036231747 /nfs/dbraw/zinc/23/17/47/1036231747.db2.gz DWEBDXCQLZKTAI-XOBRGWDASA-N 1 2 335.407 3.570 20 0 EHADLO CCCc1ccc([C@H](NC(=O)NCCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000457537163 1036233330 /nfs/dbraw/zinc/23/33/30/1036233330.db2.gz MNPDLDHVTNJNAD-LJQANCHMSA-N 1 2 342.487 3.612 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000175133421 1036246754 /nfs/dbraw/zinc/24/67/54/1036246754.db2.gz IMHZFKWAANUZJK-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000175133421 1036246772 /nfs/dbraw/zinc/24/67/72/1036246772.db2.gz IMHZFKWAANUZJK-QGZVFWFLSA-N 1 2 340.402 3.941 20 0 EHADLO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCO2 ZINC000376355916 1036262340 /nfs/dbraw/zinc/26/23/40/1036262340.db2.gz UIVUQUUVYIJMQM-QMTHXVAHSA-N 1 2 333.334 3.520 20 0 EHADLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627282 1036267181 /nfs/dbraw/zinc/26/71/81/1036267181.db2.gz IYJKAIWBKJFNDE-WQVCFCJDSA-N 1 2 329.362 3.646 20 0 EHADLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)O1 ZINC000190627282 1036267201 /nfs/dbraw/zinc/26/72/01/1036267201.db2.gz IYJKAIWBKJFNDE-WQVCFCJDSA-N 1 2 329.362 3.646 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175195332 1036274505 /nfs/dbraw/zinc/27/45/05/1036274505.db2.gz KMYWLZBLVFALNW-UHFFFAOYSA-N 1 2 338.407 3.820 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175195332 1036274523 /nfs/dbraw/zinc/27/45/23/1036274523.db2.gz KMYWLZBLVFALNW-UHFFFAOYSA-N 1 2 338.407 3.820 20 0 EHADLO CC(C)N(C)c1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cn1 ZINC000190876592 1036285481 /nfs/dbraw/zinc/28/54/81/1036285481.db2.gz FJFGFGKEAHZNGZ-UHFFFAOYSA-N 1 2 342.468 3.933 20 0 EHADLO CCCc1noc(CSCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000190907806 1036299803 /nfs/dbraw/zinc/29/98/03/1036299803.db2.gz CPWNISRJSSNSRF-UHFFFAOYSA-N 1 2 328.441 3.950 20 0 EHADLO CCOC(=O)c1c(C)onc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000589258940 1036322602 /nfs/dbraw/zinc/32/26/02/1036322602.db2.gz DJZAWDXRWRSQJZ-MRXNPFEDSA-N 1 2 328.412 3.791 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326481 1036333537 /nfs/dbraw/zinc/33/35/37/1036333537.db2.gz QLPWNTTWOWXDRJ-BLLLJJGKSA-N 1 2 338.854 3.606 20 0 EHADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000175326481 1036333558 /nfs/dbraw/zinc/33/35/58/1036333558.db2.gz QLPWNTTWOWXDRJ-BLLLJJGKSA-N 1 2 338.854 3.606 20 0 EHADLO CC(C)c1cccc(CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000457650502 1036357669 /nfs/dbraw/zinc/35/76/69/1036357669.db2.gz LIYPPGJENLOTKS-GOSISDBHSA-N 1 2 339.483 3.567 20 0 EHADLO O=C(NCCC1=CCCCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000464357100 1036367288 /nfs/dbraw/zinc/36/72/88/1036367288.db2.gz ZZEVUUFKQFIEKM-UHFFFAOYSA-N 1 2 338.455 3.952 20 0 EHADLO CCC(C)(C)OCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000457673687 1036372726 /nfs/dbraw/zinc/37/27/26/1036372726.db2.gz QFOWQIXIIFFOPG-UHFFFAOYSA-N 1 2 339.439 3.746 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2cc(Cl)ccc2C1 ZINC000191465843 1036387545 /nfs/dbraw/zinc/38/75/45/1036387545.db2.gz USEKPJZWFKMITI-UHFFFAOYSA-N 1 2 337.810 3.724 20 0 EHADLO O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492918644 1036394120 /nfs/dbraw/zinc/39/41/20/1036394120.db2.gz FSMPTUCRDWNPBG-ZZXKWVIFSA-N 1 2 344.827 3.693 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000170893217 1036420153 /nfs/dbraw/zinc/42/01/53/1036420153.db2.gz RRDPADVTXSDIMJ-CQSZACIVSA-N 1 2 345.393 3.876 20 0 EHADLO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000457746736 1036474293 /nfs/dbraw/zinc/47/42/93/1036474293.db2.gz LGCNIAHXAKTSSC-NEPJUHHUSA-N 1 2 334.407 3.542 20 0 EHADLO Cc1cc(OCC(=O)N(C)Cc2cccs2)c2ccccc2[nH+]1 ZINC000192193316 1036486894 /nfs/dbraw/zinc/48/68/94/1036486894.db2.gz WYFDPRCYNJWPII-UHFFFAOYSA-N 1 2 326.421 3.642 20 0 EHADLO C[C@@]([NH2+]Cc1ccc(Cl)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000541587107 1036488494 /nfs/dbraw/zinc/48/84/94/1036488494.db2.gz RZATYXARGGCTEN-AWEZNQCLSA-N 1 2 329.252 3.545 20 0 EHADLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000464498255 1036513065 /nfs/dbraw/zinc/51/30/65/1036513065.db2.gz ISKXNCKVQUWDNC-MRXNPFEDSA-N 1 2 335.492 3.798 20 0 EHADLO CCC(CC)n1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000464498255 1036513084 /nfs/dbraw/zinc/51/30/84/1036513084.db2.gz ISKXNCKVQUWDNC-MRXNPFEDSA-N 1 2 335.492 3.798 20 0 EHADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000669334227 1036515168 /nfs/dbraw/zinc/51/51/68/1036515168.db2.gz AEZYMPAFEUNVAY-MSOLQXFVSA-N 1 2 337.467 3.791 20 0 EHADLO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CCn1cc[nH+]c1 ZINC000589582965 1036519956 /nfs/dbraw/zinc/51/99/56/1036519956.db2.gz PUBJHIPKVPNYFK-IBGZPJMESA-N 1 2 327.472 3.923 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572846616 1036533284 /nfs/dbraw/zinc/53/32/84/1036533284.db2.gz AQQWPJHEUSZRJQ-GJZGRUSLSA-N 1 2 339.443 3.642 20 0 EHADLO C[C@H]([NH2+]Cc1noc(Cc2ccccc2)n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000541683848 1036570249 /nfs/dbraw/zinc/57/02/49/1036570249.db2.gz BKSRPSQKCODFEQ-WIEQDCTASA-N 1 2 349.434 3.703 20 0 EHADLO Cn1nc(C[NH2+]Cc2ccc(F)cc2Br)c2ccccc21 ZINC000589644583 1036575907 /nfs/dbraw/zinc/57/59/07/1036575907.db2.gz OAXCVMAZNZISMV-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO O=C(/C=C\C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000493052003 1036598558 /nfs/dbraw/zinc/59/85/58/1036598558.db2.gz PMEBWCAFLBXSBH-QXPKXGMISA-N 1 2 327.472 3.672 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771526 1036641211 /nfs/dbraw/zinc/64/12/11/1036641211.db2.gz LGCKJDYJLUTGOG-WCQYABFASA-N 1 2 335.341 3.766 20 0 EHADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541771526 1036641221 /nfs/dbraw/zinc/64/12/21/1036641221.db2.gz LGCKJDYJLUTGOG-WCQYABFASA-N 1 2 335.341 3.766 20 0 EHADLO Cc1c(NC(=O)CCCn2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000589932629 1036664733 /nfs/dbraw/zinc/66/47/33/1036664733.db2.gz FQRQYIQOXIKEMP-UHFFFAOYSA-N 1 2 341.333 3.552 20 0 EHADLO CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376422099 1036671234 /nfs/dbraw/zinc/67/12/34/1036671234.db2.gz QQHBSJJTTIFEOH-RDJZCZTQSA-N 1 2 345.874 3.655 20 0 EHADLO C[N@H+](Cn1nc(-c2ccccc2)ccc1=O)[C@H]1CCCc2ccccc21 ZINC000057085825 1036682791 /nfs/dbraw/zinc/68/27/91/1036682791.db2.gz DEXGHJZVOAQRDN-NRFANRHFSA-N 1 2 345.446 3.877 20 0 EHADLO C[N@@H+](Cn1nc(-c2ccccc2)ccc1=O)[C@H]1CCCc2ccccc21 ZINC000057085825 1036682799 /nfs/dbraw/zinc/68/27/99/1036682799.db2.gz DEXGHJZVOAQRDN-NRFANRHFSA-N 1 2 345.446 3.877 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1nc(-c2ccncc2)cs1)n1cc[nH+]c1 ZINC000636416510 1036694075 /nfs/dbraw/zinc/69/40/75/1036694075.db2.gz VOBMBZIGFITXAC-HNNXBMFYSA-N 1 2 341.440 3.628 20 0 EHADLO O=C(c1cccc(Oc2ccccc2)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005647 1036696554 /nfs/dbraw/zinc/69/65/54/1036696554.db2.gz IJXRZIXMJRQHHJ-UHFFFAOYSA-N 1 2 346.386 3.777 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768847 1036758036 /nfs/dbraw/zinc/75/80/36/1036758036.db2.gz GQYSDSKYRGOMOX-HOTGVXAUSA-N 1 2 338.904 3.519 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CCS1 ZINC000464768847 1036758042 /nfs/dbraw/zinc/75/80/42/1036758042.db2.gz GQYSDSKYRGOMOX-HOTGVXAUSA-N 1 2 338.904 3.519 20 0 EHADLO C[N@H+](Cc1ccccn1)Cc1ccc(Cl)c(Br)n1 ZINC001233090880 1036790295 /nfs/dbraw/zinc/79/02/95/1036790295.db2.gz NAXAQPKJIRWDPM-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO C[N@@H+](Cc1ccccn1)Cc1ccc(Cl)c(Br)n1 ZINC001233090880 1036790314 /nfs/dbraw/zinc/79/03/14/1036790314.db2.gz NAXAQPKJIRWDPM-UHFFFAOYSA-N 1 2 326.625 3.525 20 0 EHADLO Cn1ncc2c1nc[nH+]c2N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000177110761 1036769077 /nfs/dbraw/zinc/76/90/77/1036769077.db2.gz PHPZLUADJWOOLM-CQSZACIVSA-N 1 2 331.370 3.841 20 0 EHADLO O=C1Nc2ccccc2[C@@]12CCN(c1cc[nH+]c3c(Cl)cccc13)C2 ZINC000376437216 1036770723 /nfs/dbraw/zinc/77/07/23/1036770723.db2.gz QTLXCHVQDKUWQT-FQEVSTJZSA-N 1 2 349.821 3.988 20 0 EHADLO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1nnsc1Cl ZINC000539493843 1036800887 /nfs/dbraw/zinc/80/08/87/1036800887.db2.gz RUYFRWRGWIDYJP-ZDUSSCGKSA-N 1 2 343.855 3.914 20 0 EHADLO Fc1ccc(F)c(C[NH2+]Cc2cnn(CC3CCC3)c2)c1Cl ZINC000897430475 1036866664 /nfs/dbraw/zinc/86/66/64/1036866664.db2.gz UTRYVSOICYVMOF-UHFFFAOYSA-N 1 2 325.790 3.905 20 0 EHADLO CSCCc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000170830069 1036883284 /nfs/dbraw/zinc/88/32/84/1036883284.db2.gz VUNOVCRSMJQPHL-UHFFFAOYSA-N 1 2 344.484 3.611 20 0 EHADLO CC(C)(C)[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177593994 1036886596 /nfs/dbraw/zinc/88/65/96/1036886596.db2.gz VSCGWJQZNDNAAI-SFHVURJKSA-N 1 2 336.439 3.921 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177636383 1036901405 /nfs/dbraw/zinc/90/14/05/1036901405.db2.gz SRWJYNMAWOFRQF-ZIAGYGMSSA-N 1 2 330.428 3.805 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177636383 1036901424 /nfs/dbraw/zinc/90/14/24/1036901424.db2.gz SRWJYNMAWOFRQF-ZIAGYGMSSA-N 1 2 330.428 3.805 20 0 EHADLO Clc1cccc2c1C[C@H]([NH2+][C@@H](c1nnc[nH]1)c1ccccc1)CC2 ZINC000666355617 1036909362 /nfs/dbraw/zinc/90/93/62/1036909362.db2.gz SYQJRWRIJBGLSW-CRAIPNDOSA-N 1 2 338.842 3.695 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000153090336 1036934236 /nfs/dbraw/zinc/93/42/36/1036934236.db2.gz ZVUHZIZLWBIBTE-CQSZACIVSA-N 1 2 334.489 3.771 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000508655342 1036951367 /nfs/dbraw/zinc/95/13/67/1036951367.db2.gz WISBJANQZXDXTL-SFHVURJKSA-N 1 2 344.434 3.835 20 0 EHADLO CC(C)[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000508655342 1036951378 /nfs/dbraw/zinc/95/13/78/1036951378.db2.gz WISBJANQZXDXTL-SFHVURJKSA-N 1 2 344.434 3.835 20 0 EHADLO O=C(C[NH+]1CCC(=Cc2ccccc2F)CC1)NC(C1CC1)C1CC1 ZINC000464886809 1036956064 /nfs/dbraw/zinc/95/60/64/1036956064.db2.gz PPFYZAMPLCTUJX-UHFFFAOYSA-N 1 2 342.458 3.610 20 0 EHADLO CC(C)c1ccc(CCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000376455981 1036967096 /nfs/dbraw/zinc/96/70/96/1036967096.db2.gz UJMOUDRTCDMLQO-UHFFFAOYSA-N 1 2 339.483 3.934 20 0 EHADLO CCOC(=O)CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000539722114 1037123449 /nfs/dbraw/zinc/12/34/49/1037123449.db2.gz XHJBEZXFXTWXPI-UHFFFAOYSA-N 1 2 331.243 3.554 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186961269 1037134969 /nfs/dbraw/zinc/13/49/69/1037134969.db2.gz JKGIKPPKWXUTPW-KRWDZBQOSA-N 1 2 345.855 3.583 20 0 EHADLO CCCn1ccc2cc(NC(=O)NCCCCn3cc[nH+]c3)ccc21 ZINC000590973104 1037147558 /nfs/dbraw/zinc/14/75/58/1037147558.db2.gz NKXFRQCATDUROU-UHFFFAOYSA-N 1 2 339.443 3.850 20 0 EHADLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cnc(C)o3)o2)cc1 ZINC000590971079 1037148143 /nfs/dbraw/zinc/14/81/43/1037148143.db2.gz LUXIGBIGYXFUHX-UHFFFAOYSA-N 1 2 340.379 3.710 20 0 EHADLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000539824910 1037229995 /nfs/dbraw/zinc/22/99/95/1037229995.db2.gz KIBZJWDKUCTMJR-LJQANCHMSA-N 1 2 337.423 3.689 20 0 EHADLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000539824910 1037230016 /nfs/dbraw/zinc/23/00/16/1037230016.db2.gz KIBZJWDKUCTMJR-LJQANCHMSA-N 1 2 337.423 3.689 20 0 EHADLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2)o1 ZINC000539821884 1037245483 /nfs/dbraw/zinc/24/54/83/1037245483.db2.gz PJLQSSIGKOCQQT-MRXNPFEDSA-N 1 2 334.419 3.995 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2)o1 ZINC000539821884 1037245498 /nfs/dbraw/zinc/24/54/98/1037245498.db2.gz PJLQSSIGKOCQQT-MRXNPFEDSA-N 1 2 334.419 3.995 20 0 EHADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000493320663 1037252730 /nfs/dbraw/zinc/25/27/30/1037252730.db2.gz LLCQWFQGUBTFGY-ODCULLNFSA-N 1 2 336.222 3.650 20 0 EHADLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000052661446 1037256427 /nfs/dbraw/zinc/25/64/27/1037256427.db2.gz PYULHUKVWFEDHL-LAUBAEHRSA-N 1 2 348.446 3.972 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ncccc1OCC1CCCCC1 ZINC000104352619 1037268621 /nfs/dbraw/zinc/26/86/21/1037268621.db2.gz AVFXTGXECBOKAN-UHFFFAOYSA-N 1 2 342.443 3.656 20 0 EHADLO C[N@H+](CCOc1ccccc1F)Cc1nc(-c2ccc(F)cc2)no1 ZINC000052687101 1037271223 /nfs/dbraw/zinc/27/12/23/1037271223.db2.gz VQHAEMPQMSGREO-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO C[N@@H+](CCOc1ccccc1F)Cc1nc(-c2ccc(F)cc2)no1 ZINC000052687101 1037271241 /nfs/dbraw/zinc/27/12/41/1037271241.db2.gz VQHAEMPQMSGREO-UHFFFAOYSA-N 1 2 345.349 3.526 20 0 EHADLO Cc1cccc([C@H]2CC[N@H+](Cc3noc(Cc4ccccc4)n3)C2)c1 ZINC000542319832 1037276494 /nfs/dbraw/zinc/27/64/94/1037276494.db2.gz LMSIOJNVXVIQHG-IBGZPJMESA-N 1 2 333.435 3.958 20 0 EHADLO Cc1cccc([C@H]2CC[N@@H+](Cc3noc(Cc4ccccc4)n3)C2)c1 ZINC000542319832 1037276512 /nfs/dbraw/zinc/27/65/12/1037276512.db2.gz LMSIOJNVXVIQHG-IBGZPJMESA-N 1 2 333.435 3.958 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000341898548 1037282224 /nfs/dbraw/zinc/28/22/24/1037282224.db2.gz DOCYYPDMUJFQFX-LJQANCHMSA-N 1 2 329.465 3.817 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000341898548 1037282237 /nfs/dbraw/zinc/28/22/37/1037282237.db2.gz DOCYYPDMUJFQFX-LJQANCHMSA-N 1 2 329.465 3.817 20 0 EHADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)o1 ZINC000223618988 1037286967 /nfs/dbraw/zinc/28/69/67/1037286967.db2.gz XYRHEWDYBXOANR-SNVBAGLBSA-N 1 2 339.233 3.859 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccn(C(C)C)c1 ZINC001203164807 1037299468 /nfs/dbraw/zinc/29/94/68/1037299468.db2.gz HHSIVNCYQLPJGD-UHFFFAOYSA-N 1 2 325.416 3.964 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000376506746 1037340803 /nfs/dbraw/zinc/34/08/03/1037340803.db2.gz MIYDLNHWWKDGMW-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000376506746 1037340821 /nfs/dbraw/zinc/34/08/21/1037340821.db2.gz MIYDLNHWWKDGMW-ZDUSSCGKSA-N 1 2 346.425 3.833 20 0 EHADLO COc1ccc(C[N@H+](CN2C(=O)C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000054441471 1037393758 /nfs/dbraw/zinc/39/37/58/1037393758.db2.gz FWXNQVIFHDAFCN-FQEVSTJZSA-N 1 2 336.435 3.591 20 0 EHADLO COc1ccc(C[N@@H+](CN2C(=O)C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000054441471 1037393772 /nfs/dbraw/zinc/39/37/72/1037393772.db2.gz FWXNQVIFHDAFCN-FQEVSTJZSA-N 1 2 336.435 3.591 20 0 EHADLO C[C@H](c1nncn1C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000376516403 1037399727 /nfs/dbraw/zinc/39/97/27/1037399727.db2.gz ARNPXIUWDGSJQT-GFCCVEGCSA-N 1 2 333.505 3.510 20 0 EHADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152633254 1037430218 /nfs/dbraw/zinc/43/02/18/1037430218.db2.gz IKJCMXNSTKBEMB-UHFFFAOYSA-N 1 2 342.742 3.686 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000591522836 1037474449 /nfs/dbraw/zinc/47/44/49/1037474449.db2.gz PYMFZXUFXLGCFB-INIZCTEOSA-N 1 2 345.487 3.924 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376532601 1037481503 /nfs/dbraw/zinc/48/15/03/1037481503.db2.gz RYBAGXZMXVBSAX-OAHLLOKOSA-N 1 2 349.475 3.986 20 0 EHADLO CC(C)(C)OC(=O)CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376532601 1037481515 /nfs/dbraw/zinc/48/15/15/1037481515.db2.gz RYBAGXZMXVBSAX-OAHLLOKOSA-N 1 2 349.475 3.986 20 0 EHADLO CC(C)(C)c1ccc(C(C)(C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151747879 1037492993 /nfs/dbraw/zinc/49/29/93/1037492993.db2.gz RUJIQTUFXFKPSW-HNNXBMFYSA-N 1 2 339.483 3.795 20 0 EHADLO COCc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187730611 1037498876 /nfs/dbraw/zinc/49/88/76/1037498876.db2.gz CYVPYWHHCFSSRK-SFHVURJKSA-N 1 2 325.387 3.574 20 0 EHADLO O=C(/C=C/c1ccsc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000493654805 1037537765 /nfs/dbraw/zinc/53/77/65/1037537765.db2.gz PTEICRIBVGKOHX-OIQFLZLASA-N 1 2 327.453 3.696 20 0 EHADLO Cc1ccnc(OC2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC001203412487 1037566984 /nfs/dbraw/zinc/56/69/84/1037566984.db2.gz KOLWMOOLTNWWCC-UHFFFAOYSA-N 1 2 335.810 3.621 20 0 EHADLO Cc1cc(C(C)(C)NC(=O)/C=C\c2[nH]cc[nH+]2)ccc1Br ZINC000493747853 1037597006 /nfs/dbraw/zinc/59/70/06/1037597006.db2.gz CKMGCPXJFOBHPX-SREVYHEPSA-N 1 2 348.244 3.545 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000105272327 1037597703 /nfs/dbraw/zinc/59/77/03/1037597703.db2.gz OOGKRMBLBYOUIR-UHFFFAOYSA-N 1 2 334.423 3.583 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573577759 1037618931 /nfs/dbraw/zinc/61/89/31/1037618931.db2.gz XQRAEZNXZGPEHJ-INWMFGNUSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573577759 1037618946 /nfs/dbraw/zinc/61/89/46/1037618946.db2.gz XQRAEZNXZGPEHJ-INWMFGNUSA-N 1 2 331.847 3.694 20 0 EHADLO C[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Br)cc1 ZINC000573588859 1037621627 /nfs/dbraw/zinc/62/16/27/1037621627.db2.gz QHSYKPUEFSYRPG-NSHDSACASA-N 1 2 344.212 3.839 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(F)cccc3C2)c1C ZINC000152735763 1037622817 /nfs/dbraw/zinc/62/28/17/1037622817.db2.gz NYASBGAGNZGJTO-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3c(F)cccc3C2)c1C ZINC000152735763 1037622826 /nfs/dbraw/zinc/62/28/26/1037622826.db2.gz NYASBGAGNZGJTO-HNNXBMFYSA-N 1 2 326.415 3.828 20 0 EHADLO CC(C)(CC(=O)NCCn1c[nH+]cc1-c1ccccc1)C(F)(F)F ZINC000913711300 1037651934 /nfs/dbraw/zinc/65/19/34/1037651934.db2.gz OUPSYXTVIXGGSQ-UHFFFAOYSA-N 1 2 339.361 3.645 20 0 EHADLO c1cc(-c2cccnc2)n(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000151774477 1037655355 /nfs/dbraw/zinc/65/53/55/1037655355.db2.gz PJHXAIWBEXTARS-IBGZPJMESA-N 1 2 336.464 3.693 20 0 EHADLO c1cc(-c2cccnc2)n(C[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000151774477 1037655370 /nfs/dbraw/zinc/65/53/70/1037655370.db2.gz PJHXAIWBEXTARS-IBGZPJMESA-N 1 2 336.464 3.693 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811797 1037656818 /nfs/dbraw/zinc/65/68/18/1037656818.db2.gz WALAMFOODSINKC-IBGZPJMESA-N 1 2 338.451 3.706 20 0 EHADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591811797 1037656825 /nfs/dbraw/zinc/65/68/25/1037656825.db2.gz WALAMFOODSINKC-IBGZPJMESA-N 1 2 338.451 3.706 20 0 EHADLO CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000573661638 1037675494 /nfs/dbraw/zinc/67/54/94/1037675494.db2.gz MHSMIDVYSMCNOZ-MDYRTPRTSA-N 1 2 344.503 3.543 20 0 EHADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000573661637 1037675594 /nfs/dbraw/zinc/67/55/94/1037675594.db2.gz MHSMIDVYSMCNOZ-KNBMTAEXSA-N 1 2 344.503 3.543 20 0 EHADLO CC1(C)CCc2ccccc2[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000669424810 1037684245 /nfs/dbraw/zinc/68/42/45/1037684245.db2.gz PPEPMXHGJCWFHA-SFHVURJKSA-N 1 2 325.456 3.883 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132974 1037690875 /nfs/dbraw/zinc/69/08/75/1037690875.db2.gz KGYYBQHTBMIXGU-CVEARBPZSA-N 1 2 330.472 3.610 20 0 EHADLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646132974 1037690889 /nfs/dbraw/zinc/69/08/89/1037690889.db2.gz KGYYBQHTBMIXGU-CVEARBPZSA-N 1 2 330.472 3.610 20 0 EHADLO CC1=CC[C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000666640759 1037753074 /nfs/dbraw/zinc/75/30/74/1037753074.db2.gz UKFMAGZQXYYCPE-HXUWFJFHSA-N 1 2 327.472 3.825 20 0 EHADLO CCC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000584548396 1037757579 /nfs/dbraw/zinc/75/75/79/1037757579.db2.gz KRBTVCOQODZRKZ-OAHLLOKOSA-N 1 2 340.254 3.927 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096361 1037816271 /nfs/dbraw/zinc/81/62/71/1037816271.db2.gz JRKWPRDAFLLRIY-GZUVONMTSA-N 1 2 348.437 3.653 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000494096361 1037816291 /nfs/dbraw/zinc/81/62/91/1037816291.db2.gz JRKWPRDAFLLRIY-GZUVONMTSA-N 1 2 348.437 3.653 20 0 EHADLO Cn1cc(-c2nc(C[N@@H+]3CC[C@](F)(c4ccccc4)C3)cs2)cn1 ZINC000669942757 1037849105 /nfs/dbraw/zinc/84/91/05/1037849105.db2.gz VFEMGUQVECYXBI-GOSISDBHSA-N 1 2 342.443 3.614 20 0 EHADLO Cn1cc(-c2nc(C[N@H+]3CC[C@](F)(c4ccccc4)C3)cs2)cn1 ZINC000669942757 1037849133 /nfs/dbraw/zinc/84/91/33/1037849133.db2.gz VFEMGUQVECYXBI-GOSISDBHSA-N 1 2 342.443 3.614 20 0 EHADLO O=C(C[C@H]1CCOc2ccccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000117614394 1037857863 /nfs/dbraw/zinc/85/78/63/1037857863.db2.gz MHEIHHJUPPMQDS-OAHLLOKOSA-N 1 2 333.391 3.767 20 0 EHADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCn2c[nH+]cc2C1 ZINC000378083017 1037865535 /nfs/dbraw/zinc/86/55/35/1037865535.db2.gz BKZGOTGGZCSHBQ-UHFFFAOYSA-N 1 2 338.238 3.555 20 0 EHADLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc(OC(F)F)c1 ZINC000271460667 1037905993 /nfs/dbraw/zinc/90/59/93/1037905993.db2.gz KEHPOVAVAQCUOC-BONVTDFDSA-N 1 2 343.320 3.950 20 0 EHADLO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119808100 1037912738 /nfs/dbraw/zinc/91/27/38/1037912738.db2.gz NTDILBFXNPWTHU-OALUTQOASA-N 1 2 339.483 3.624 20 0 EHADLO O=C(/C=C\SCc1ccco1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000492058810 1037924508 /nfs/dbraw/zinc/92/45/08/1037924508.db2.gz QNQFSZAYSKREHF-XFFZJAGNSA-N 1 2 325.393 3.851 20 0 EHADLO OC[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1c(F)cccc1F ZINC000271492461 1037932175 /nfs/dbraw/zinc/93/21/75/1037932175.db2.gz PCOXIRAATPJHTB-GJZGRUSLSA-N 1 2 339.382 3.964 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C(=O)OC(C)(C)C ZINC000592400182 1037940818 /nfs/dbraw/zinc/94/08/18/1037940818.db2.gz OIQHWUCUUASXFJ-ZFWWWQNUSA-N 1 2 331.460 3.594 20 0 EHADLO O=C(/C=C/c1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540606 1037959604 /nfs/dbraw/zinc/95/96/04/1037959604.db2.gz UMHLKENFPWXRAP-ZZXKWVIFSA-N 1 2 346.883 3.759 20 0 EHADLO c1sc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1[C@@H]1CCCOC1 ZINC000183880741 1037978665 /nfs/dbraw/zinc/97/86/65/1037978665.db2.gz VEHQLXAYULTCKD-AEFFLSMTSA-N 1 2 344.480 3.611 20 0 EHADLO c1sc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1[C@@H]1CCCOC1 ZINC000183880741 1037978680 /nfs/dbraw/zinc/97/86/80/1037978680.db2.gz VEHQLXAYULTCKD-AEFFLSMTSA-N 1 2 344.480 3.611 20 0 EHADLO O=C(CC1=CCCCC1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001272077626 1038020431 /nfs/dbraw/zinc/02/04/31/1038020431.db2.gz BEHPLHQKQSWIMR-UHFFFAOYSA-N 1 2 330.394 3.506 20 0 EHADLO O=C(CC1=CCCCC1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001272077626 1038020454 /nfs/dbraw/zinc/02/04/54/1038020454.db2.gz BEHPLHQKQSWIMR-UHFFFAOYSA-N 1 2 330.394 3.506 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2cccs2)CC1 ZINC000184355482 1038029489 /nfs/dbraw/zinc/02/94/89/1038029489.db2.gz PPUKPZZIYVXBHU-AWEZNQCLSA-N 1 2 348.537 3.993 20 0 EHADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000592550793 1038032995 /nfs/dbraw/zinc/03/29/95/1038032995.db2.gz HQKSEVPRHIGRMI-SFHVURJKSA-N 1 2 338.455 3.569 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc(Br)c3)ccc2[nH+]1 ZINC000041305248 1038079734 /nfs/dbraw/zinc/07/97/34/1038079734.db2.gz QXAPDXQJRYWAAJ-UHFFFAOYSA-N 1 2 330.185 3.658 20 0 EHADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc(C)c1OC(F)F ZINC000506866663 1038120104 /nfs/dbraw/zinc/12/01/04/1038120104.db2.gz RCPFZOIARVZOFN-UHFFFAOYSA-N 1 2 331.322 3.805 20 0 EHADLO COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000106761086 1038190458 /nfs/dbraw/zinc/19/04/58/1038190458.db2.gz FEPXWGYKYZOYSK-QZTJIDSGSA-N 1 2 333.391 3.828 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)C1(c2ccccc2Cl)CCC1 ZINC000651333701 1038207687 /nfs/dbraw/zinc/20/76/87/1038207687.db2.gz VIUULBWAXOEUMS-UHFFFAOYSA-N 1 2 331.847 3.555 20 0 EHADLO COc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042470983 1038224343 /nfs/dbraw/zinc/22/43/43/1038224343.db2.gz VRXAKFLAUQWBBN-UHFFFAOYSA-N 1 2 341.436 3.523 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](Cc3ccncc3)C3CC3)co2)cc1 ZINC000124879318 1038247603 /nfs/dbraw/zinc/24/76/03/1038247603.db2.gz SSGBPLGPSPHLBG-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](Cc3ccncc3)C3CC3)co2)cc1 ZINC000124879318 1038247615 /nfs/dbraw/zinc/24/76/15/1038247615.db2.gz SSGBPLGPSPHLBG-UHFFFAOYSA-N 1 2 335.407 3.910 20 0 EHADLO CC[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000124997845 1038261933 /nfs/dbraw/zinc/26/19/33/1038261933.db2.gz CCNYYGSMLDEXDK-IUODEOHRSA-N 1 2 339.277 3.501 20 0 EHADLO c1cc(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000378255577 1038310786 /nfs/dbraw/zinc/31/07/86/1038310786.db2.gz NOEZIJVOGSQVEF-OAHLLOKOSA-N 1 2 344.459 3.950 20 0 EHADLO c1cc(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000378255577 1038310799 /nfs/dbraw/zinc/31/07/99/1038310799.db2.gz NOEZIJVOGSQVEF-OAHLLOKOSA-N 1 2 344.459 3.950 20 0 EHADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125353425 1038317246 /nfs/dbraw/zinc/31/72/46/1038317246.db2.gz KXBJULDPAOQOBU-CQSZACIVSA-N 1 2 331.847 3.579 20 0 EHADLO CC(C)CCc1noc(C[NH+]2CCC(OC3CCCCC3)CC2)n1 ZINC000125420057 1038325262 /nfs/dbraw/zinc/32/52/62/1038325262.db2.gz NBMMZXWJVXJOJA-UHFFFAOYSA-N 1 2 335.492 3.972 20 0 EHADLO CCC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000378267169 1038338926 /nfs/dbraw/zinc/33/89/26/1038338926.db2.gz UAGUBXZSRCEIDT-MRXNPFEDSA-N 1 2 325.456 3.737 20 0 EHADLO O=C(NCc1ccccc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378266943 1038345460 /nfs/dbraw/zinc/34/54/60/1038345460.db2.gz CRHOCQIOYUBEMC-UHFFFAOYSA-N 1 2 344.418 3.924 20 0 EHADLO CCC[N@@H+](Cc1ccccc1Br)C[C@@H](O)C(F)(F)F ZINC000461403642 1038399964 /nfs/dbraw/zinc/39/99/64/1038399964.db2.gz SRCWKKQKBQLXMZ-GFCCVEGCSA-N 1 2 340.183 3.584 20 0 EHADLO CCC[N@H+](Cc1ccccc1Br)C[C@@H](O)C(F)(F)F ZINC000461403642 1038399978 /nfs/dbraw/zinc/39/99/78/1038399978.db2.gz SRCWKKQKBQLXMZ-GFCCVEGCSA-N 1 2 340.183 3.584 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@H]1c1ccccc1 ZINC000538613052 1038423265 /nfs/dbraw/zinc/42/32/65/1038423265.db2.gz HCSRNQSDTLVZFB-SFHVURJKSA-N 1 2 326.444 3.600 20 0 EHADLO COc1ncc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000368502731 1038430338 /nfs/dbraw/zinc/43/03/38/1038430338.db2.gz HPRCEYRYXUMJMC-OQPBUACISA-N 1 2 340.757 3.806 20 0 EHADLO Cc1cc(C)c(NC(=O)NCCc2nsc3ccccc23)c(C)[nH+]1 ZINC000667119270 1038458008 /nfs/dbraw/zinc/45/80/08/1038458008.db2.gz NLTZCGJTYRIVGK-UHFFFAOYSA-N 1 2 340.452 3.981 20 0 EHADLO CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(C)[nH+]cc1C)CCC2 ZINC000378354041 1038505732 /nfs/dbraw/zinc/50/57/32/1038505732.db2.gz HXIQKVFVPNMOEJ-HNNXBMFYSA-N 1 2 344.484 3.681 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1OCc1ccccc1 ZINC000538726424 1038507667 /nfs/dbraw/zinc/50/76/67/1038507667.db2.gz RESPZEAEHLYSPK-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1OCc1ccccc1 ZINC000538726424 1038507670 /nfs/dbraw/zinc/50/76/70/1038507670.db2.gz RESPZEAEHLYSPK-SJORKVTESA-N 1 2 341.451 3.883 20 0 EHADLO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc2c(c1)OCCCO2 ZINC000363833808 1038638165 /nfs/dbraw/zinc/63/81/65/1038638165.db2.gz ZKLYMAMARNPQQI-XHDPSFHLSA-N 1 2 347.361 3.910 20 0 EHADLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@](CO)(c2ccccc2)C1 ZINC000461930642 1038681503 /nfs/dbraw/zinc/68/15/03/1038681503.db2.gz HPHUDMCZSSGWOG-QFIPXVFZSA-N 1 2 348.446 3.692 20 0 EHADLO CCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156197 1038716979 /nfs/dbraw/zinc/71/69/79/1038716979.db2.gz UKWSGGKUYDHIFP-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO CCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156197 1038716984 /nfs/dbraw/zinc/71/69/84/1038716984.db2.gz UKWSGGKUYDHIFP-CVEARBPZSA-N 1 2 341.858 3.666 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1c(F)cccc1F ZINC000539228563 1038740600 /nfs/dbraw/zinc/74/06/00/1038740600.db2.gz ANWDQDGFUNDLIC-LBPRGKRZSA-N 1 2 330.378 3.743 20 0 EHADLO C[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCO1 ZINC000905313000 1038790920 /nfs/dbraw/zinc/79/09/20/1038790920.db2.gz KHPFVOBEWUDDGZ-KDOFPFPSSA-N 1 2 340.423 3.607 20 0 EHADLO COc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000431888901 1038797475 /nfs/dbraw/zinc/79/74/75/1038797475.db2.gz ZCPNZHFYHMSZHF-UHFFFAOYSA-N 1 2 327.771 3.787 20 0 EHADLO COCCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000488051535 1038810390 /nfs/dbraw/zinc/81/03/90/1038810390.db2.gz QTRMMBIXNDRUAO-MRXNPFEDSA-N 1 2 347.883 3.622 20 0 EHADLO COCCSCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000488051535 1038810422 /nfs/dbraw/zinc/81/04/22/1038810422.db2.gz QTRMMBIXNDRUAO-MRXNPFEDSA-N 1 2 347.883 3.622 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)C[C@](C)(C(F)F)O1 ZINC000668822464 1038867205 /nfs/dbraw/zinc/86/72/05/1038867205.db2.gz WIDTVRSBZZMHBF-RFAUZJTJSA-N 1 2 330.762 3.726 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)C[C@](C)(C(F)F)O1 ZINC000668822464 1038867223 /nfs/dbraw/zinc/86/72/23/1038867223.db2.gz WIDTVRSBZZMHBF-RFAUZJTJSA-N 1 2 330.762 3.726 20 0 EHADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C)o1 ZINC000184663665 1038887827 /nfs/dbraw/zinc/88/78/27/1038887827.db2.gz RTTZXUZCWRNKHI-KRWDZBQOSA-N 1 2 344.455 3.801 20 0 EHADLO CCc1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)[nH]1 ZINC000893268739 1038911390 /nfs/dbraw/zinc/91/13/90/1038911390.db2.gz YPPXRVOAKIRSIT-QMMMGPOBSA-N 1 2 343.656 3.634 20 0 EHADLO Fc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(Cl)c1Cl ZINC000432728413 1038935427 /nfs/dbraw/zinc/93/54/27/1038935427.db2.gz YKWXCPJXTCUVHP-VXGBXAGGSA-N 1 2 336.259 3.839 20 0 EHADLO Fc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(Cl)c1Cl ZINC000432728413 1038935443 /nfs/dbraw/zinc/93/54/43/1038935443.db2.gz YKWXCPJXTCUVHP-VXGBXAGGSA-N 1 2 336.259 3.839 20 0 EHADLO CCO[C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1(CC)CC ZINC000488182121 1038948114 /nfs/dbraw/zinc/94/81/14/1038948114.db2.gz LRLXWUZFEVSJQX-ROUUACIJSA-N 1 2 341.455 3.586 20 0 EHADLO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC3 ZINC000485355972 1038948445 /nfs/dbraw/zinc/94/84/45/1038948445.db2.gz JNFCXGHCNWFWTI-UONOGXRCSA-N 1 2 328.456 3.653 20 0 EHADLO Fc1ccc2nc(C[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000432739259 1038975686 /nfs/dbraw/zinc/97/56/86/1038975686.db2.gz PTVXEHZEOCYKKE-UHFFFAOYSA-N 1 2 327.428 3.758 20 0 EHADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1nc2ccc(F)cc2s1 ZINC000432747862 1039014624 /nfs/dbraw/zinc/01/46/24/1039014624.db2.gz QTVJFMWOKWBBDQ-UHFFFAOYSA-N 1 2 349.475 3.693 20 0 EHADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1nc2ccc(F)cc2s1 ZINC000432747862 1039014640 /nfs/dbraw/zinc/01/46/40/1039014640.db2.gz QTVJFMWOKWBBDQ-UHFFFAOYSA-N 1 2 349.475 3.693 20 0 EHADLO Fc1ccc([C@H](NCc2c[nH+]c3n2CCCC3)c2ccccn2)cc1 ZINC000367437367 1039034368 /nfs/dbraw/zinc/03/43/68/1039034368.db2.gz ITFCSHFUPRZQQL-FQEVSTJZSA-N 1 2 336.414 3.633 20 0 EHADLO Cc1cc(N2CCC[C@](CO)(c3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC000893711497 1039056701 /nfs/dbraw/zinc/05/67/01/1039056701.db2.gz LORDBRGFJHSPSJ-NRFANRHFSA-N 1 2 337.467 3.583 20 0 EHADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000416834684 1039101463 /nfs/dbraw/zinc/10/14/63/1039101463.db2.gz JFDQXWFBRIQUNZ-HZSPNIEDSA-N 1 2 336.505 3.637 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000155645607 1039111169 /nfs/dbraw/zinc/11/11/69/1039111169.db2.gz ZVFGWXSVAOTPAX-UHFFFAOYSA-N 1 2 347.418 3.632 20 0 EHADLO COc1cc(C)cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001211722886 1039118441 /nfs/dbraw/zinc/11/84/41/1039118441.db2.gz IXHMXZNIFNFRCT-GASCZTMLSA-N 1 2 327.428 3.756 20 0 EHADLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2)o1 ZINC000552300635 1039169583 /nfs/dbraw/zinc/16/95/83/1039169583.db2.gz UKKVVMYHLLPGNA-UHFFFAOYSA-N 1 2 334.419 3.695 20 0 EHADLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2)o1 ZINC000552300635 1039169590 /nfs/dbraw/zinc/16/95/90/1039169590.db2.gz UKKVVMYHLLPGNA-UHFFFAOYSA-N 1 2 334.419 3.695 20 0 EHADLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000067410610 1039178641 /nfs/dbraw/zinc/17/86/41/1039178641.db2.gz NLCWURHOCQUHHX-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1noc(C)c1CN1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000067410610 1039178653 /nfs/dbraw/zinc/17/86/53/1039178653.db2.gz NLCWURHOCQUHHX-AWEZNQCLSA-N 1 2 333.863 3.824 20 0 EHADLO COCC1(C2CCC2)C[NH+](Cc2csc(Br)c2)C1 ZINC000668512878 1039224304 /nfs/dbraw/zinc/22/43/04/1039224304.db2.gz BLYRDIJDPKEVFZ-UHFFFAOYSA-N 1 2 330.291 3.759 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1)C1CCCCC1 ZINC000668514337 1039227498 /nfs/dbraw/zinc/22/74/98/1039227498.db2.gz DJMUTYVKPBHPCS-GOSISDBHSA-N 1 2 337.467 3.807 20 0 EHADLO CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000294148853 1039230764 /nfs/dbraw/zinc/23/07/64/1039230764.db2.gz RKCDVVURIQDZKL-SFHVURJKSA-N 1 2 333.863 3.769 20 0 EHADLO CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000294148853 1039230778 /nfs/dbraw/zinc/23/07/78/1039230778.db2.gz RKCDVVURIQDZKL-SFHVURJKSA-N 1 2 333.863 3.769 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000488517219 1039252996 /nfs/dbraw/zinc/25/29/96/1039252996.db2.gz UHOJEACKBCCDNQ-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000488517219 1039253009 /nfs/dbraw/zinc/25/30/09/1039253009.db2.gz UHOJEACKBCCDNQ-MRXNPFEDSA-N 1 2 336.439 3.859 20 0 EHADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000488571177 1039270642 /nfs/dbraw/zinc/27/06/42/1039270642.db2.gz FUZXGHPGXUIKBZ-DNVCBOLYSA-N 1 2 342.870 3.692 20 0 EHADLO O=C(NCCC1CCC(F)(F)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000898585069 1039296346 /nfs/dbraw/zinc/29/63/46/1039296346.db2.gz YPROGSRWOUFFMF-AWEZNQCLSA-N 1 2 340.418 3.514 20 0 EHADLO Cc1cc(C)c(C(=O)NCc2csc(Br)c2)c(C)[nH+]1 ZINC000906134239 1039334879 /nfs/dbraw/zinc/33/48/79/1039334879.db2.gz ZOSSXBMRINCXSY-UHFFFAOYSA-N 1 2 339.258 3.761 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCc1ccccc1)c1ccccc1 ZINC000667313248 1039336919 /nfs/dbraw/zinc/33/69/19/1039336919.db2.gz OOXWVHSXQSLQMP-IBGZPJMESA-N 1 2 345.446 3.721 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H](C)c1ccccc1 ZINC000554465867 1039364874 /nfs/dbraw/zinc/36/48/74/1039364874.db2.gz BKXGQTBXGMQCCN-HZPDHXFCSA-N 1 2 349.438 3.640 20 0 EHADLO Cc1csc(C(=O)Nc2cccc3[nH+]ccn32)c1Br ZINC000488753586 1039372797 /nfs/dbraw/zinc/37/27/97/1039372797.db2.gz ZRGNASQEAABCFC-UHFFFAOYSA-N 1 2 336.214 3.719 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000552591024 1039384945 /nfs/dbraw/zinc/38/49/45/1039384945.db2.gz FBSBUJLKNTUVOV-MRXNPFEDSA-N 1 2 344.499 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000552591024 1039384964 /nfs/dbraw/zinc/38/49/64/1039384964.db2.gz FBSBUJLKNTUVOV-MRXNPFEDSA-N 1 2 344.499 3.554 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584663348 1039408960 /nfs/dbraw/zinc/40/89/60/1039408960.db2.gz ZIHVOAFYEYSPAG-MRXNPFEDSA-N 1 2 335.451 3.760 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000584663348 1039408965 /nfs/dbraw/zinc/40/89/65/1039408965.db2.gz ZIHVOAFYEYSPAG-MRXNPFEDSA-N 1 2 335.451 3.760 20 0 EHADLO CC(=O)CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)nn1 ZINC000906272574 1039430165 /nfs/dbraw/zinc/43/01/65/1039430165.db2.gz OBEPFNPJTPTCAW-HXUWFJFHSA-N 1 2 340.471 3.601 20 0 EHADLO CC(=O)CCn1cc(C[N@H+]2CCCC[C@@H]2c2cccc(C)c2C)nn1 ZINC000906272574 1039430170 /nfs/dbraw/zinc/43/01/70/1039430170.db2.gz OBEPFNPJTPTCAW-HXUWFJFHSA-N 1 2 340.471 3.601 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)s1 ZINC000668536414 1039433345 /nfs/dbraw/zinc/43/33/45/1039433345.db2.gz SKYBIUVFEUMVHX-CQSZACIVSA-N 1 2 327.515 3.554 20 0 EHADLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)s1 ZINC000668536414 1039433355 /nfs/dbraw/zinc/43/33/55/1039433355.db2.gz SKYBIUVFEUMVHX-CQSZACIVSA-N 1 2 327.515 3.554 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429587704 1039450424 /nfs/dbraw/zinc/45/04/24/1039450424.db2.gz FSYNAKXNECGQHY-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)cc1 ZINC000429587704 1039450435 /nfs/dbraw/zinc/45/04/35/1039450435.db2.gz FSYNAKXNECGQHY-OAHLLOKOSA-N 1 2 336.435 3.583 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000432828597 1039475249 /nfs/dbraw/zinc/47/52/49/1039475249.db2.gz JEVNCZLVHPJKGO-OAHLLOKOSA-N 1 2 340.240 3.809 20 0 EHADLO CCOc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1C ZINC000552770068 1039509063 /nfs/dbraw/zinc/50/90/63/1039509063.db2.gz SZAXDMYRTJHERP-UHFFFAOYSA-N 1 2 349.434 3.820 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccc(Cl)cc1F ZINC000563061524 1039535833 /nfs/dbraw/zinc/53/58/33/1039535833.db2.gz LCVGLQFEGBYOQE-MRXNPFEDSA-N 1 2 336.842 3.972 20 0 EHADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000485782089 1039553765 /nfs/dbraw/zinc/55/37/65/1039553765.db2.gz FPPUUXQKPSUIHF-FHLIZLRMSA-N 1 2 348.437 3.797 20 0 EHADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000485782089 1039553776 /nfs/dbraw/zinc/55/37/76/1039553776.db2.gz FPPUUXQKPSUIHF-FHLIZLRMSA-N 1 2 348.437 3.797 20 0 EHADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000432865066 1039564841 /nfs/dbraw/zinc/56/48/41/1039564841.db2.gz HCJLLKHOPMUOSD-OFAQMXQXSA-N 1 2 342.464 3.998 20 0 EHADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000432865066 1039564859 /nfs/dbraw/zinc/56/48/59/1039564859.db2.gz HCJLLKHOPMUOSD-OFAQMXQXSA-N 1 2 342.464 3.998 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCc3cc(OC)c(F)cc3C2)oc1C ZINC000432860989 1039571926 /nfs/dbraw/zinc/57/19/26/1039571926.db2.gz VGLJYPBLPGHCQH-LLVKDONJSA-N 1 2 347.386 3.642 20 0 EHADLO COC(=O)c1cc([C@@H](C)[N@H+]2CCc3cc(OC)c(F)cc3C2)oc1C ZINC000432860989 1039571943 /nfs/dbraw/zinc/57/19/43/1039571943.db2.gz VGLJYPBLPGHCQH-LLVKDONJSA-N 1 2 347.386 3.642 20 0 EHADLO CCCC[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000500849598 1039586168 /nfs/dbraw/zinc/58/61/68/1039586168.db2.gz ILKXEOLUGMSLBQ-IRXDYDNUSA-N 1 2 332.488 3.727 20 0 EHADLO CCc1ccc([C@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000584710567 1039588450 /nfs/dbraw/zinc/58/84/50/1039588450.db2.gz FWQJWEFHUUKUPY-ROUUACIJSA-N 1 2 337.467 3.798 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000911914570 1039588217 /nfs/dbraw/zinc/58/82/17/1039588217.db2.gz HNTIHMVCASBCQK-GOSISDBHSA-N 1 2 343.377 3.509 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC2(CCOCC2)O1 ZINC000279933928 1039604931 /nfs/dbraw/zinc/60/49/31/1039604931.db2.gz WVNVNCUECWJZMK-OAHLLOKOSA-N 1 2 344.480 3.580 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC2(CCOCC2)O1 ZINC000279933928 1039604938 /nfs/dbraw/zinc/60/49/38/1039604938.db2.gz WVNVNCUECWJZMK-OAHLLOKOSA-N 1 2 344.480 3.580 20 0 EHADLO CC(C)c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)c(=O)c1 ZINC000663847768 1039629930 /nfs/dbraw/zinc/62/99/30/1039629930.db2.gz YNOBZNOBQCZMEG-GOSISDBHSA-N 1 2 327.399 3.962 20 0 EHADLO CC(C)c1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)c(=O)c1 ZINC000663847768 1039629938 /nfs/dbraw/zinc/62/99/38/1039629938.db2.gz YNOBZNOBQCZMEG-GOSISDBHSA-N 1 2 327.399 3.962 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nc(-c3ccsc3)no1)CC2 ZINC000485897792 1039667866 /nfs/dbraw/zinc/66/78/66/1039667866.db2.gz RAMIZYOUDSDTRT-UHFFFAOYSA-N 1 2 325.437 3.973 20 0 EHADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nc(-c3ccsc3)no1)CC2 ZINC000485897792 1039667871 /nfs/dbraw/zinc/66/78/71/1039667871.db2.gz RAMIZYOUDSDTRT-UHFFFAOYSA-N 1 2 325.437 3.973 20 0 EHADLO Clc1cc2c(nn1)C[N@H+](C[C@H]1CCC3(CCCCCC3)O1)CC2 ZINC000930812285 1039677705 /nfs/dbraw/zinc/67/77/05/1039677705.db2.gz JCFJNSLVEBWIBR-OAHLLOKOSA-N 1 2 335.879 3.760 20 0 EHADLO Clc1cc2c(nn1)C[N@@H+](C[C@H]1CCC3(CCCCCC3)O1)CC2 ZINC000930812285 1039677710 /nfs/dbraw/zinc/67/77/10/1039677710.db2.gz JCFJNSLVEBWIBR-OAHLLOKOSA-N 1 2 335.879 3.760 20 0 EHADLO CC(C)(C)C(=O)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000552974215 1039681573 /nfs/dbraw/zinc/68/15/73/1039681573.db2.gz VBBFCWSUKQMHLM-UHFFFAOYSA-N 1 2 331.847 3.583 20 0 EHADLO Cc1ccc2cc(Cl)cc(C(=O)NCC(C)(C)n3cc[nH+]c3)c2n1 ZINC000898910202 1039700957 /nfs/dbraw/zinc/70/09/57/1039700957.db2.gz LDXAECZSBHKCNB-UHFFFAOYSA-N 1 2 342.830 3.558 20 0 EHADLO CCOC1(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CCCC1 ZINC000584762180 1039737118 /nfs/dbraw/zinc/73/71/18/1039737118.db2.gz FIVRZCAMCDJOIO-UHFFFAOYSA-N 1 2 327.428 3.589 20 0 EHADLO Cc1cc(C)c(C(=O)NCCCCCC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000906840207 1039775590 /nfs/dbraw/zinc/77/55/90/1039775590.db2.gz NGHFJWWBGKARNP-UHFFFAOYSA-N 1 2 334.460 3.639 20 0 EHADLO CC(C)c1sc(NC(=O)C[C@@H]([NH3+])C(F)F)nc1-c1ccccc1 ZINC000912294238 1039787508 /nfs/dbraw/zinc/78/75/08/1039787508.db2.gz JGBYJYUUBUBBRT-LLVKDONJSA-N 1 2 339.411 3.855 20 0 EHADLO CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000554920657 1039929370 /nfs/dbraw/zinc/92/93/70/1039929370.db2.gz ZZRWDKHWBABDPA-WMZOPIPTSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1cn2cc(NC(=O)NCC3CC(c4ccccc4)C3)ccc2[nH+]1 ZINC000554907300 1039936310 /nfs/dbraw/zinc/93/63/10/1039936310.db2.gz CQNWZEWLVCCEST-UHFFFAOYSA-N 1 2 334.423 3.958 20 0 EHADLO Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000554914881 1039943256 /nfs/dbraw/zinc/94/32/56/1039943256.db2.gz VFQXIECZGKCYCG-UHFFFAOYSA-N 1 2 340.814 3.931 20 0 EHADLO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)ccc1OC ZINC000489441331 1039959825 /nfs/dbraw/zinc/95/98/25/1039959825.db2.gz UMTAGKQRTVSLPD-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)ccc1OC ZINC000489441331 1039959835 /nfs/dbraw/zinc/95/98/35/1039959835.db2.gz UMTAGKQRTVSLPD-UHFFFAOYSA-N 1 2 340.876 3.762 20 0 EHADLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)o1 ZINC001142611853 1039995184 /nfs/dbraw/zinc/99/51/84/1039995184.db2.gz QLKCSEZEULHCOL-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)o1 ZINC001142611853 1039995204 /nfs/dbraw/zinc/99/52/04/1039995204.db2.gz QLKCSEZEULHCOL-UHFFFAOYSA-N 1 2 336.391 3.664 20 0 EHADLO COCC[N@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCO[C@@H]1C ZINC000489471845 1040013886 /nfs/dbraw/zinc/01/38/86/1040013886.db2.gz ODXJGUVDYCLBJH-RHSMWYFYSA-N 1 2 338.517 3.817 20 0 EHADLO COCC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCO[C@@H]1C ZINC000489471845 1040013903 /nfs/dbraw/zinc/01/39/03/1040013903.db2.gz ODXJGUVDYCLBJH-RHSMWYFYSA-N 1 2 338.517 3.817 20 0 EHADLO CCC[C@@H]1CCCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907358375 1040025158 /nfs/dbraw/zinc/02/51/58/1040025158.db2.gz NJJIVVOXUUAIHW-LJQANCHMSA-N 1 2 340.471 3.790 20 0 EHADLO CCc1nnc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000554994568 1040029069 /nfs/dbraw/zinc/02/90/69/1040029069.db2.gz RMYMOBJMXMXRPT-GFCCVEGCSA-N 1 2 342.390 3.682 20 0 EHADLO CC(C)(CNC(=O)/C=C\c1ccsc1C(F)(F)F)n1cc[nH+]c1 ZINC000912614085 1040038118 /nfs/dbraw/zinc/03/81/18/1040038118.db2.gz KBJULYDFFXTPTA-ARJAWSKDSA-N 1 2 343.374 3.528 20 0 EHADLO CC(C)c1c[nH]c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000894086185 1040046607 /nfs/dbraw/zinc/04/66/07/1040046607.db2.gz YOJQCMOIZUIGKQ-SFHVURJKSA-N 1 2 339.439 3.862 20 0 EHADLO CC(C)c1c[nH]c(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000894086185 1040046623 /nfs/dbraw/zinc/04/66/23/1040046623.db2.gz YOJQCMOIZUIGKQ-SFHVURJKSA-N 1 2 339.439 3.862 20 0 EHADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@](C)(OC)CC1 ZINC000480841407 1040075464 /nfs/dbraw/zinc/07/54/64/1040075464.db2.gz HYVYPGGXTCCFFE-HXUWFJFHSA-N 1 2 342.439 3.807 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000651440822 1040093574 /nfs/dbraw/zinc/09/35/74/1040093574.db2.gz DZNBRYGUFFUCKX-SFHVURJKSA-N 1 2 341.430 3.655 20 0 EHADLO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000479273766 1040104141 /nfs/dbraw/zinc/10/41/41/1040104141.db2.gz BQWLOCQRJVGRNS-NEPJUHHUSA-N 1 2 342.277 3.700 20 0 EHADLO Cc1ccoc1C[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000644780902 1040104425 /nfs/dbraw/zinc/10/44/25/1040104425.db2.gz YVOLJAFNSZAVRP-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccoc1C[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000644780902 1040104435 /nfs/dbraw/zinc/10/44/35/1040104435.db2.gz YVOLJAFNSZAVRP-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1c2ccccc2-c2ccccc21 ZINC000553497399 1040110647 /nfs/dbraw/zinc/11/06/47/1040110647.db2.gz PBICZHAKUSKKGN-HNNXBMFYSA-N 1 2 343.430 3.674 20 0 EHADLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc(-c3ccncc3)s2)s1 ZINC000553515160 1040143428 /nfs/dbraw/zinc/14/34/28/1040143428.db2.gz XVRCYOIDCJVJMB-UHFFFAOYSA-N 1 2 345.497 3.644 20 0 EHADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553531757 1040152511 /nfs/dbraw/zinc/15/25/11/1040152511.db2.gz DUHGCADPHFWBBR-KGLIPLIRSA-N 1 2 346.500 3.553 20 0 EHADLO CCC[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(=O)OC ZINC000432911105 1040155575 /nfs/dbraw/zinc/15/55/75/1040155575.db2.gz HIHGILCFUHHLPD-PESDSKBTSA-N 1 2 340.261 3.626 20 0 EHADLO CC(=O)[C@H](C)CCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000489744452 1040169340 /nfs/dbraw/zinc/16/93/40/1040169340.db2.gz LURSVJBQBHZQOZ-CQSZACIVSA-N 1 2 338.411 3.860 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000584868581 1040170957 /nfs/dbraw/zinc/17/09/57/1040170957.db2.gz LEUSRSFDCUMCFK-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000584868581 1040170968 /nfs/dbraw/zinc/17/09/68/1040170968.db2.gz LEUSRSFDCUMCFK-LSDHHAIUSA-N 1 2 342.252 3.978 20 0 EHADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1(CCF)CC1 ZINC000907814194 1040179627 /nfs/dbraw/zinc/17/96/27/1040179627.db2.gz FFFCQXPDHFBIAV-CQSZACIVSA-N 1 2 333.451 3.571 20 0 EHADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1(CCF)CC1 ZINC000907814194 1040179636 /nfs/dbraw/zinc/17/96/36/1040179636.db2.gz FFFCQXPDHFBIAV-CQSZACIVSA-N 1 2 333.451 3.571 20 0 EHADLO CCCCC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000893317826 1040191528 /nfs/dbraw/zinc/19/15/28/1040191528.db2.gz IHUYRMLDVXVESL-QGZVFWFLSA-N 1 2 340.471 3.726 20 0 EHADLO CCc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C ZINC000480998743 1040247238 /nfs/dbraw/zinc/24/72/38/1040247238.db2.gz NLMOAVCFIYVKHD-UHFFFAOYSA-N 1 2 343.496 3.969 20 0 EHADLO CC[C@H](CC(F)F)C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000660294180 1040268970 /nfs/dbraw/zinc/26/89/70/1040268970.db2.gz SAJQDHBGRXDZIW-OLZOCXBDSA-N 1 2 331.428 3.703 20 0 EHADLO CC[C@H](CC(F)F)C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000660294180 1040268990 /nfs/dbraw/zinc/26/89/90/1040268990.db2.gz SAJQDHBGRXDZIW-OLZOCXBDSA-N 1 2 331.428 3.703 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490025849 1040292245 /nfs/dbraw/zinc/29/22/45/1040292245.db2.gz OFWCAPQURVIYNJ-CYBMUJFWSA-N 1 2 336.501 3.543 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490025849 1040292258 /nfs/dbraw/zinc/29/22/58/1040292258.db2.gz OFWCAPQURVIYNJ-CYBMUJFWSA-N 1 2 336.501 3.543 20 0 EHADLO CC(C)CC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CC1 ZINC000555235109 1040322260 /nfs/dbraw/zinc/32/22/60/1040322260.db2.gz FCXOBTHFVCZFOS-QGZVFWFLSA-N 1 2 328.460 3.688 20 0 EHADLO CC[C@]1(O)CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000490072499 1040336111 /nfs/dbraw/zinc/33/61/11/1040336111.db2.gz BRFAEYDKBHJFTE-INIZCTEOSA-N 1 2 340.345 3.793 20 0 EHADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000152137028 1040336084 /nfs/dbraw/zinc/33/60/84/1040336084.db2.gz FVFKGSNILPLCDQ-JXFKEZNVSA-N 1 2 349.434 3.512 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091822 1040355009 /nfs/dbraw/zinc/35/50/09/1040355009.db2.gz PVGQVMMGLXHWSH-IUCAKERBSA-N 1 2 337.411 3.506 20 0 EHADLO COc1ccccc1O[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663909948 1040369557 /nfs/dbraw/zinc/36/95/57/1040369557.db2.gz TWXYWSXCYWGCJY-OAHLLOKOSA-N 1 2 349.434 3.873 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c(C)[nH+]1 ZINC000908262385 1040373764 /nfs/dbraw/zinc/37/37/64/1040373764.db2.gz ALHGIZXEAXKMSE-OAQYLSRUSA-N 1 2 336.435 3.617 20 0 EHADLO CCC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccn1 ZINC000339255564 1040393046 /nfs/dbraw/zinc/39/30/46/1040393046.db2.gz AZKQFJNZZSGESW-INIZCTEOSA-N 1 2 341.455 3.644 20 0 EHADLO c1ccc(Oc2cccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)c2)cc1 ZINC000511649907 1040408403 /nfs/dbraw/zinc/40/84/03/1040408403.db2.gz QPDINHLUPWTRSV-SFTDATJTSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2cccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)c2)cc1 ZINC000511649907 1040408411 /nfs/dbraw/zinc/40/84/11/1040408411.db2.gz QPDINHLUPWTRSV-SFTDATJTSA-N 1 2 339.435 3.859 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)n(C)n1 ZINC000417979633 1040409941 /nfs/dbraw/zinc/40/99/41/1040409941.db2.gz HVBVTTKMZKUDQR-UHFFFAOYSA-N 1 2 344.509 3.780 20 0 EHADLO Cc1cc(C[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)n(C)n1 ZINC000417979633 1040409960 /nfs/dbraw/zinc/40/99/60/1040409960.db2.gz HVBVTTKMZKUDQR-UHFFFAOYSA-N 1 2 344.509 3.780 20 0 EHADLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(C(F)(F)F)CCCCC1 ZINC000614182559 1040412773 /nfs/dbraw/zinc/41/27/73/1040412773.db2.gz LNNQAVFMCNUIIW-CQSZACIVSA-N 1 2 342.361 3.574 20 0 EHADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000481176373 1040434399 /nfs/dbraw/zinc/43/43/99/1040434399.db2.gz OCFYFVSRHUOCDL-NSHDSACASA-N 1 2 342.252 3.904 20 0 EHADLO CC1(C)CC[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)O1 ZINC000481176373 1040434407 /nfs/dbraw/zinc/43/44/07/1040434407.db2.gz OCFYFVSRHUOCDL-NSHDSACASA-N 1 2 342.252 3.904 20 0 EHADLO CCc1c(NCc2c[nH+]cn2CC)cnn1-c1cccc(Cl)c1 ZINC000418022379 1040458332 /nfs/dbraw/zinc/45/83/32/1040458332.db2.gz ATDIIJHMXPVCPO-UHFFFAOYSA-N 1 2 329.835 3.917 20 0 EHADLO OCCC[N@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CCc2ccccc21 ZINC000155075363 1040487211 /nfs/dbraw/zinc/48/72/11/1040487211.db2.gz NTDFRQYRGVCAFR-GOSISDBHSA-N 1 2 341.455 3.599 20 0 EHADLO OCCC[N@@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CCc2ccccc21 ZINC000155075363 1040487224 /nfs/dbraw/zinc/48/72/24/1040487224.db2.gz NTDFRQYRGVCAFR-GOSISDBHSA-N 1 2 341.455 3.599 20 0 EHADLO Cc1cccc(OCC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000481214048 1040500660 /nfs/dbraw/zinc/50/06/60/1040500660.db2.gz TWKQLJPQBIMZPR-UHFFFAOYSA-N 1 2 333.435 3.618 20 0 EHADLO Cc1cccc(OCC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000481214048 1040500681 /nfs/dbraw/zinc/50/06/81/1040500681.db2.gz TWKQLJPQBIMZPR-UHFFFAOYSA-N 1 2 333.435 3.618 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000913015676 1040532656 /nfs/dbraw/zinc/53/26/56/1040532656.db2.gz SUHXTJQSMXBZBL-CDNLZTBQSA-N 1 2 344.842 3.852 20 0 EHADLO FC(F)OC1CCC([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000651468166 1040539935 /nfs/dbraw/zinc/53/99/35/1040539935.db2.gz ZTRNNEGYKHDMCJ-RUXDESIVSA-N 1 2 328.407 3.566 20 0 EHADLO CC(C)C[C@H](c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1)n1cc[nH+]c1 ZINC000923816596 1040542141 /nfs/dbraw/zinc/54/21/41/1040542141.db2.gz NUGRFBWSFCSHDC-QGZVFWFLSA-N 1 2 348.410 3.959 20 0 EHADLO C[S@@](=O)c1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000433043276 1040548757 /nfs/dbraw/zinc/54/87/57/1040548757.db2.gz CZZJJISDKVBXON-HSZRJFAPSA-N 1 2 348.899 3.852 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccsc1)c1ccccc1 ZINC000667854030 1040574678 /nfs/dbraw/zinc/57/46/78/1040574678.db2.gz XORWJEYEKUREHY-MRXNPFEDSA-N 1 2 337.448 3.740 20 0 EHADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000667856705 1040584304 /nfs/dbraw/zinc/58/43/04/1040584304.db2.gz SPWGTGGEWRQGSJ-JXFKEZNVSA-N 1 2 335.451 3.514 20 0 EHADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000490545553 1040588029 /nfs/dbraw/zinc/58/80/29/1040588029.db2.gz OCPNXUUPPPZRDU-IHPCNDPISA-N 1 2 337.467 3.549 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(C)[nH+]1 ZINC000913160585 1040604292 /nfs/dbraw/zinc/60/42/92/1040604292.db2.gz DHYFLPQZQUHYCY-BMGDILEWSA-N 1 2 326.827 3.728 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000418125551 1040614301 /nfs/dbraw/zinc/61/43/01/1040614301.db2.gz NXFUKYVWJQOMJP-RWMBFGLXSA-N 1 2 329.893 3.610 20 0 EHADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000418125551 1040614308 /nfs/dbraw/zinc/61/43/08/1040614308.db2.gz NXFUKYVWJQOMJP-RWMBFGLXSA-N 1 2 329.893 3.610 20 0 EHADLO Oc1cccc(C[NH+]2CCC(c3ccon3)CC2)c1Br ZINC000668719050 1040625799 /nfs/dbraw/zinc/62/57/99/1040625799.db2.gz RULUVZWJPMANPE-UHFFFAOYSA-N 1 2 337.217 3.522 20 0 EHADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954306 1040626885 /nfs/dbraw/zinc/62/68/85/1040626885.db2.gz NEUHLDPRENUOSS-HZPDHXFCSA-N 1 2 327.428 3.625 20 0 EHADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954306 1040626891 /nfs/dbraw/zinc/62/68/91/1040626891.db2.gz NEUHLDPRENUOSS-HZPDHXFCSA-N 1 2 327.428 3.625 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000364272884 1040646107 /nfs/dbraw/zinc/64/61/07/1040646107.db2.gz SMYFWQHTVQIYRQ-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO CC1(C)C[N@H+](CC(=O)N2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000553992946 1040650414 /nfs/dbraw/zinc/65/04/14/1040650414.db2.gz QBXNWUBWJMXPKW-IBGZPJMESA-N 1 2 340.492 3.716 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000553992946 1040650417 /nfs/dbraw/zinc/65/04/17/1040650417.db2.gz QBXNWUBWJMXPKW-IBGZPJMESA-N 1 2 340.492 3.716 20 0 EHADLO CCOC(=O)c1cccc(C[N@H+](CC)Cc2ccccc2Cl)n1 ZINC000600112108 1040661068 /nfs/dbraw/zinc/66/10/68/1040661068.db2.gz OLVYBZHZELCWMQ-UHFFFAOYSA-N 1 2 332.831 3.934 20 0 EHADLO CCOC(=O)c1cccc(C[N@@H+](CC)Cc2ccccc2Cl)n1 ZINC000600112108 1040661072 /nfs/dbraw/zinc/66/10/72/1040661072.db2.gz OLVYBZHZELCWMQ-UHFFFAOYSA-N 1 2 332.831 3.934 20 0 EHADLO Cn1c(Cl)cnc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000248145498 1040708361 /nfs/dbraw/zinc/70/83/61/1040708361.db2.gz RRELMBAEXNDJEC-UHFFFAOYSA-N 1 2 328.847 3.934 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000569706207 1040710329 /nfs/dbraw/zinc/71/03/29/1040710329.db2.gz KOPIRJDPMFEKHA-UHFFFAOYSA-N 1 2 344.462 3.810 20 0 EHADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000569706207 1040710346 /nfs/dbraw/zinc/71/03/46/1040710346.db2.gz KOPIRJDPMFEKHA-UHFFFAOYSA-N 1 2 344.462 3.810 20 0 EHADLO CC[NH+](CC)[C@H](CN[C@H]1CCc2c1nccc2Cl)c1ccco1 ZINC000924856639 1040744997 /nfs/dbraw/zinc/74/49/97/1040744997.db2.gz XHLRXOJJUIJARC-JKSUJKDBSA-N 1 2 333.863 3.988 20 0 EHADLO Cc1[nH+]cc(CNc2ccc3ccc(=O)n(C)c3c2)n1-c1ccccc1 ZINC000487182828 1040754083 /nfs/dbraw/zinc/75/40/83/1040754083.db2.gz VEMBHPZHZXINKF-UHFFFAOYSA-N 1 2 344.418 3.645 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC000512760349 1040782752 /nfs/dbraw/zinc/78/27/52/1040782752.db2.gz LSTSILAOXMNSPK-UHFFFAOYSA-N 1 2 340.467 3.662 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC000512760349 1040782769 /nfs/dbraw/zinc/78/27/69/1040782769.db2.gz LSTSILAOXMNSPK-UHFFFAOYSA-N 1 2 340.467 3.662 20 0 EHADLO c1ccc(-c2nnc(C[NH+]3CCC(OCC4CC4)CC3)s2)cc1 ZINC000364320479 1040783177 /nfs/dbraw/zinc/78/31/77/1040783177.db2.gz WTVZJGUQJASQFN-UHFFFAOYSA-N 1 2 329.469 3.596 20 0 EHADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(-c2ccco2)on1)c1ccccc1 ZINC000411395053 1040796894 /nfs/dbraw/zinc/79/68/94/1040796894.db2.gz VJRIDBYYDQOMTJ-FZKQIMNGSA-N 1 2 340.379 3.575 20 0 EHADLO COCCCn1cnn(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)c1=S ZINC000151412496 1040858111 /nfs/dbraw/zinc/85/81/11/1040858111.db2.gz QRPZUVVSAMRNOX-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO COCCCn1cnn(C[N@H+]2CCC[C@H]2c2cccc(C)c2)c1=S ZINC000151412496 1040858122 /nfs/dbraw/zinc/85/81/22/1040858122.db2.gz QRPZUVVSAMRNOX-KRWDZBQOSA-N 1 2 346.500 3.554 20 0 EHADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CCCCC4)n2)C1 ZINC000500885989 1040871464 /nfs/dbraw/zinc/87/14/64/1040871464.db2.gz FHCHIOVQMXFROS-CQSZACIVSA-N 1 2 347.484 3.849 20 0 EHADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4c(s3)CCCCC4)n2)C1 ZINC000500885989 1040871472 /nfs/dbraw/zinc/87/14/72/1040871472.db2.gz FHCHIOVQMXFROS-CQSZACIVSA-N 1 2 347.484 3.849 20 0 EHADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C12CCCC2 ZINC000555596697 1040896170 /nfs/dbraw/zinc/89/61/70/1040896170.db2.gz YYMYXUZNIYQMBP-ZACQAIPSSA-N 1 2 332.492 3.754 20 0 EHADLO Cc1c2ccccc2oc1C[NH2+]Cc1c(Br)cnn1C ZINC000487299710 1040897530 /nfs/dbraw/zinc/89/75/30/1040897530.db2.gz OPWCFLLJCFKZRZ-UHFFFAOYSA-N 1 2 334.217 3.527 20 0 EHADLO Cc1ccc(C[N@@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C2CC2)o1 ZINC000613739919 1040913118 /nfs/dbraw/zinc/91/31/18/1040913118.db2.gz FEYVHWLGDVCLKG-MRXNPFEDSA-N 1 2 340.467 3.608 20 0 EHADLO Cc1ccc(C[N@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C2CC2)o1 ZINC000613739919 1040913134 /nfs/dbraw/zinc/91/31/34/1040913134.db2.gz FEYVHWLGDVCLKG-MRXNPFEDSA-N 1 2 340.467 3.608 20 0 EHADLO C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000931177504 1040919042 /nfs/dbraw/zinc/91/90/42/1040919042.db2.gz HCELTIRQUKQQKW-DZGCQCFKSA-N 1 2 336.476 3.772 20 0 EHADLO C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000931177504 1040919055 /nfs/dbraw/zinc/91/90/55/1040919055.db2.gz HCELTIRQUKQQKW-DZGCQCFKSA-N 1 2 336.476 3.772 20 0 EHADLO Brc1sccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000669830703 1040943058 /nfs/dbraw/zinc/94/30/58/1040943058.db2.gz BWRLMBUBHWJQEZ-UHFFFAOYSA-N 1 2 329.288 3.746 20 0 EHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000668782423 1040966471 /nfs/dbraw/zinc/96/64/71/1040966471.db2.gz SZYNYXPTBIKLQU-IJXRJRJASA-N 1 2 341.499 3.503 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000668782424 1040967795 /nfs/dbraw/zinc/96/77/95/1040967795.db2.gz SZYNYXPTBIKLQU-LMCOJAPRSA-N 1 2 341.499 3.503 20 0 EHADLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc(C(C)C)cc3)[nH+]c12 ZINC000586689157 1040982105 /nfs/dbraw/zinc/98/21/05/1040982105.db2.gz ABEWCCQJHZIDAR-UHFFFAOYSA-N 1 2 335.451 3.967 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508874 1040988564 /nfs/dbraw/zinc/98/85/64/1040988564.db2.gz QAUVWBAYMGUOBF-WBMJQRKESA-N 1 2 332.831 3.662 20 0 EHADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000481508874 1040988584 /nfs/dbraw/zinc/98/85/84/1040988584.db2.gz QAUVWBAYMGUOBF-WBMJQRKESA-N 1 2 332.831 3.662 20 0 EHADLO CCN(Cc1ccccc1Cl)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586750096 1040995044 /nfs/dbraw/zinc/99/50/44/1040995044.db2.gz ABPNQFULRWBHRL-UHFFFAOYSA-N 1 2 341.842 3.887 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ncc(-c4ccccc4)s3)[nH+]c12 ZINC000586751074 1040996686 /nfs/dbraw/zinc/99/66/86/1040996686.db2.gz DPJSAXWGYJOTHC-UHFFFAOYSA-N 1 2 348.431 3.947 20 0 EHADLO CCc1cc(C)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000487622405 1040996910 /nfs/dbraw/zinc/99/69/10/1040996910.db2.gz QVUMNCBZASAYJD-HNNXBMFYSA-N 1 2 342.439 3.796 20 0 EHADLO OCC[N@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CCCc2ccccc21 ZINC000157356163 1041012959 /nfs/dbraw/zinc/01/29/59/1041012959.db2.gz BIIDCTYDYOQFMK-GOSISDBHSA-N 1 2 341.455 3.599 20 0 EHADLO OCC[N@@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CCCc2ccccc21 ZINC000157356163 1041012969 /nfs/dbraw/zinc/01/29/69/1041012969.db2.gz BIIDCTYDYOQFMK-GOSISDBHSA-N 1 2 341.455 3.599 20 0 EHADLO Cc1cc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)cc(F)c1F ZINC001143610267 1041025240 /nfs/dbraw/zinc/02/52/40/1041025240.db2.gz UXUXDNHJTZNFIM-LJQANCHMSA-N 1 2 328.406 3.688 20 0 EHADLO Cc1cc(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)cc(F)c1F ZINC001143610267 1041025242 /nfs/dbraw/zinc/02/52/42/1041025242.db2.gz UXUXDNHJTZNFIM-LJQANCHMSA-N 1 2 328.406 3.688 20 0 EHADLO CC(C)(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000364377907 1041052016 /nfs/dbraw/zinc/05/20/16/1041052016.db2.gz MUZVRBCBKOZYIK-UHFFFAOYSA-N 1 2 331.847 3.747 20 0 EHADLO CC(C)(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000364377907 1041052026 /nfs/dbraw/zinc/05/20/26/1041052026.db2.gz MUZVRBCBKOZYIK-UHFFFAOYSA-N 1 2 331.847 3.747 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487715898 1041081435 /nfs/dbraw/zinc/08/14/35/1041081435.db2.gz DPTRZBDCYOLCBQ-OALUTQOASA-N 1 2 340.471 3.641 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC(F)F)C1CCC1 ZINC000899785704 1041122391 /nfs/dbraw/zinc/12/23/91/1041122391.db2.gz IGZUDBCWGVFQNM-OAHLLOKOSA-N 1 2 333.382 3.578 20 0 EHADLO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000433246702 1041139293 /nfs/dbraw/zinc/13/92/93/1041139293.db2.gz LSORUZRBXIJOTF-GOSISDBHSA-N 1 2 346.833 3.931 20 0 EHADLO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000433246702 1041139297 /nfs/dbraw/zinc/13/92/97/1041139297.db2.gz LSORUZRBXIJOTF-GOSISDBHSA-N 1 2 346.833 3.931 20 0 EHADLO Cc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)nc1C ZINC000419298678 1041148128 /nfs/dbraw/zinc/14/81/28/1041148128.db2.gz GSZWLIPXZIDHME-FQEVSTJZSA-N 1 2 337.467 3.542 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+]CC3=CCCOC3)c3ccccc3)n2)cc1 ZINC000487937284 1041194842 /nfs/dbraw/zinc/19/48/42/1041194842.db2.gz WWWZYLFQGGDPRD-IBGZPJMESA-N 1 2 347.418 3.762 20 0 EHADLO COC1(C(F)(F)F)CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000419311437 1041224223 /nfs/dbraw/zinc/22/42/23/1041224223.db2.gz CYPHYCUWHSZYQU-UHFFFAOYSA-N 1 2 346.374 3.946 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@]1=O ZINC000759873065 1041258513 /nfs/dbraw/zinc/25/85/13/1041258513.db2.gz ACYPOSCGOYPTON-WSVYEEACSA-N 1 2 337.432 3.641 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[S@]1=O ZINC000759873065 1041258530 /nfs/dbraw/zinc/25/85/30/1041258530.db2.gz ACYPOSCGOYPTON-WSVYEEACSA-N 1 2 337.432 3.641 20 0 EHADLO Cc1ccc(C)c([C@H](C)N(C)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000481703572 1041274871 /nfs/dbraw/zinc/27/48/71/1041274871.db2.gz UXDOEYUFUOBAEH-KRWDZBQOSA-N 1 2 340.471 3.903 20 0 EHADLO Cc1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C)c[nH+]1 ZINC000571373523 1041277551 /nfs/dbraw/zinc/27/75/51/1041277551.db2.gz VMAXJTADRIBMAH-UHFFFAOYSA-N 1 2 330.256 3.670 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCC[C@H]1C1CCC1 ZINC000645207283 1041319551 /nfs/dbraw/zinc/31/95/51/1041319551.db2.gz IKABDCPYCVZDQF-IBGZPJMESA-N 1 2 338.455 3.737 20 0 EHADLO COc1ccc(F)cc1C[NH2+]Cc1ccsc1Br ZINC000388544926 1041445036 /nfs/dbraw/zinc/44/50/36/1041445036.db2.gz FTUOCYOOTNQFCB-UHFFFAOYSA-N 1 2 330.222 3.948 20 0 EHADLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000511685215 1041462479 /nfs/dbraw/zinc/46/24/79/1041462479.db2.gz XJLWVSWSZCQAMM-QWRGUYRKSA-N 1 2 342.188 3.986 20 0 EHADLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000511685215 1041462482 /nfs/dbraw/zinc/46/24/82/1041462482.db2.gz XJLWVSWSZCQAMM-QWRGUYRKSA-N 1 2 342.188 3.986 20 0 EHADLO COC(=O)c1cc([C@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)oc1C ZINC000292891304 1041602596 /nfs/dbraw/zinc/60/25/96/1041602596.db2.gz JGUAVUIQMFPIHS-BONVTDFDSA-N 1 2 334.441 3.941 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000047273677 1041604564 /nfs/dbraw/zinc/60/45/64/1041604564.db2.gz CYCOHAGNSIHKTQ-YLJYHZDGSA-N 1 2 341.455 3.633 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)C)on1 ZINC000047273677 1041604565 /nfs/dbraw/zinc/60/45/65/1041604565.db2.gz CYCOHAGNSIHKTQ-YLJYHZDGSA-N 1 2 341.455 3.633 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)s2)cc1 ZINC000368792585 1041668257 /nfs/dbraw/zinc/66/82/57/1041668257.db2.gz WRNVKGPMJWFCHE-MRXNPFEDSA-N 1 2 329.469 3.596 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)s2)cc1 ZINC000368792585 1041668261 /nfs/dbraw/zinc/66/82/61/1041668261.db2.gz WRNVKGPMJWFCHE-MRXNPFEDSA-N 1 2 329.469 3.596 20 0 EHADLO Cc1ncc(C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)s1 ZINC000651620511 1041800831 /nfs/dbraw/zinc/80/08/31/1041800831.db2.gz GVFXBSKNRHJBGB-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO Cc1ncc(C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)s1 ZINC000651620511 1041800837 /nfs/dbraw/zinc/80/08/37/1041800837.db2.gz GVFXBSKNRHJBGB-UHFFFAOYSA-N 1 2 326.469 3.886 20 0 EHADLO CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651624041 1041808620 /nfs/dbraw/zinc/80/86/20/1041808620.db2.gz ZZEZBELTQRNPKH-MRXNPFEDSA-N 1 2 339.483 3.633 20 0 EHADLO Cc1csc([C@@H](C)CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)n1 ZINC000302146748 1041919849 /nfs/dbraw/zinc/91/98/49/1041919849.db2.gz RLHOQRGKAWQFFQ-STQMWFEESA-N 1 2 331.489 3.693 20 0 EHADLO Cc1csc([C@@H](C)CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)n1 ZINC000302146748 1041919855 /nfs/dbraw/zinc/91/98/55/1041919855.db2.gz RLHOQRGKAWQFFQ-STQMWFEESA-N 1 2 331.489 3.693 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170872 1041982168 /nfs/dbraw/zinc/98/21/68/1041982168.db2.gz SPGFHPSVGOEKPH-KPZWWZAWSA-N 1 2 347.846 3.952 20 0 EHADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170872 1041982175 /nfs/dbraw/zinc/98/21/75/1041982175.db2.gz SPGFHPSVGOEKPH-KPZWWZAWSA-N 1 2 347.846 3.952 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cscn1 ZINC000661417762 1042111365 /nfs/dbraw/zinc/11/13/65/1042111365.db2.gz CTHIQBGFLDEUFA-XHDPSFHLSA-N 1 2 337.514 3.759 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1cscn1 ZINC000661424018 1042115077 /nfs/dbraw/zinc/11/50/77/1042115077.db2.gz JZRALIXHLFWRNQ-UONOGXRCSA-N 1 2 339.464 3.824 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1F ZINC000661486214 1042143806 /nfs/dbraw/zinc/14/38/06/1042143806.db2.gz USALYYKPWRPGDI-GOSISDBHSA-N 1 2 325.387 3.961 20 0 EHADLO CCn1nc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c2ccccc21 ZINC000473125933 1042226618 /nfs/dbraw/zinc/22/66/18/1042226618.db2.gz IPRYWCXZWYSQAY-FQEVSTJZSA-N 1 2 327.472 3.837 20 0 EHADLO CCn1nc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c2ccccc21 ZINC000473125933 1042226621 /nfs/dbraw/zinc/22/66/21/1042226621.db2.gz IPRYWCXZWYSQAY-FQEVSTJZSA-N 1 2 327.472 3.837 20 0 EHADLO CC(C)[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F ZINC000661670689 1042248104 /nfs/dbraw/zinc/24/81/04/1042248104.db2.gz XTCALUAREODWGU-QGZVFWFLSA-N 1 2 344.434 3.835 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661741783 1042294583 /nfs/dbraw/zinc/29/45/83/1042294583.db2.gz WJGPAYQDGVCQIA-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661741783 1042294587 /nfs/dbraw/zinc/29/45/87/1042294587.db2.gz WJGPAYQDGVCQIA-UHFFFAOYSA-N 1 2 338.451 3.563 20 0 EHADLO COc1cncc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000343881084 1042316081 /nfs/dbraw/zinc/31/60/81/1042316081.db2.gz STFJVTCEFFIJCT-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO COc1cncc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000343881084 1042316085 /nfs/dbraw/zinc/31/60/85/1042316085.db2.gz STFJVTCEFFIJCT-OXJNMPFZSA-N 1 2 326.440 3.669 20 0 EHADLO Brc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000661873446 1042379833 /nfs/dbraw/zinc/37/98/33/1042379833.db2.gz FKTYZARLQICSBM-NEPJUHHUSA-N 1 2 345.306 3.687 20 0 EHADLO Brc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000661873446 1042379837 /nfs/dbraw/zinc/37/98/37/1042379837.db2.gz FKTYZARLQICSBM-NEPJUHHUSA-N 1 2 345.306 3.687 20 0 EHADLO COc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc(C(F)(F)F)c1 ZINC001143518979 1042391221 /nfs/dbraw/zinc/39/12/21/1042391221.db2.gz DMUFAURTCGEJGN-LBPRGKRZSA-N 1 2 335.366 3.743 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000661912653 1042403689 /nfs/dbraw/zinc/40/36/89/1042403689.db2.gz AYKZIHYHWSOFQM-QZTJIDSGSA-N 1 2 338.455 3.519 20 0 EHADLO CC[C@@H]([NH2+]Cc1cc(OC)ccc1Cl)c1nnc2n1CCCCC2 ZINC000661942000 1042423957 /nfs/dbraw/zinc/42/39/57/1042423957.db2.gz SZDITKQGCXDFLF-MRXNPFEDSA-N 1 2 348.878 3.907 20 0 EHADLO O=C1CCCC12CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2 ZINC000661958819 1042432173 /nfs/dbraw/zinc/43/21/73/1042432173.db2.gz YLOVWVHGJRZJDY-UHFFFAOYSA-N 1 2 327.453 3.540 20 0 EHADLO CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000432280533 1042460854 /nfs/dbraw/zinc/46/08/54/1042460854.db2.gz RKJRKLKLDASBKA-UHFFFAOYSA-N 1 2 343.789 3.937 20 0 EHADLO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662048453 1042481052 /nfs/dbraw/zinc/48/10/52/1042481052.db2.gz WJRRKMFFSURJPC-UHFFFAOYSA-N 1 2 328.391 3.563 20 0 EHADLO c1nc(-c2ccccn2)sc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000544617553 1042518576 /nfs/dbraw/zinc/51/85/76/1042518576.db2.gz RNIYIVDTQHNSBN-SFHVURJKSA-N 1 2 343.496 3.986 20 0 EHADLO c1nc(-c2ccccn2)sc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000544617553 1042518582 /nfs/dbraw/zinc/51/85/82/1042518582.db2.gz RNIYIVDTQHNSBN-SFHVURJKSA-N 1 2 343.496 3.986 20 0 EHADLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000053814030 1042568758 /nfs/dbraw/zinc/56/87/58/1042568758.db2.gz LTLYEHHCLJHDRO-GFCCVEGCSA-N 1 2 343.901 3.868 20 0 EHADLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000053814030 1042568755 /nfs/dbraw/zinc/56/87/55/1042568755.db2.gz LTLYEHHCLJHDRO-GFCCVEGCSA-N 1 2 343.901 3.868 20 0 EHADLO Cc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1 ZINC000025573535 1042599384 /nfs/dbraw/zinc/59/93/84/1042599384.db2.gz PSMWEVDCKDXBRR-UHFFFAOYSA-N 1 2 333.435 3.972 20 0 EHADLO C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000662241926 1042628754 /nfs/dbraw/zinc/62/87/54/1042628754.db2.gz YVCNCTZRLQRRGW-HIFRSBDPSA-N 1 2 329.362 3.691 20 0 EHADLO C[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000662241926 1042628758 /nfs/dbraw/zinc/62/87/58/1042628758.db2.gz YVCNCTZRLQRRGW-HIFRSBDPSA-N 1 2 329.362 3.691 20 0 EHADLO COc1ccccc1-c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161550456 1042670472 /nfs/dbraw/zinc/67/04/72/1042670472.db2.gz FHNAQTBLHBRDOP-INIZCTEOSA-N 1 2 347.418 3.760 20 0 EHADLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)n1C(C)C ZINC000066941385 1042699169 /nfs/dbraw/zinc/69/91/69/1042699169.db2.gz RWGAEIMXFVQXEM-UHFFFAOYSA-N 1 2 336.439 3.802 20 0 EHADLO CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186768963 1042706144 /nfs/dbraw/zinc/70/61/44/1042706144.db2.gz WWQASTDBBVZBPK-UHFFFAOYSA-N 1 2 331.419 3.676 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2cn3cc(Br)ccc3n2)o1 ZINC000051558519 1042780689 /nfs/dbraw/zinc/78/06/89/1042780689.db2.gz YRVLDAKHJXASCI-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2cn3cc(Br)ccc3n2)o1 ZINC000051558519 1042780696 /nfs/dbraw/zinc/78/06/96/1042780696.db2.gz YRVLDAKHJXASCI-UHFFFAOYSA-N 1 2 334.217 3.630 20 0 EHADLO CCCCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000043500064 1042845830 /nfs/dbraw/zinc/84/58/30/1042845830.db2.gz QLJGBBQAVCEZMB-UHFFFAOYSA-N 1 2 336.505 3.925 20 0 EHADLO Cc1ccc(C(C)(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604299957 1042904562 /nfs/dbraw/zinc/90/45/62/1042904562.db2.gz WLXRPRVNTVPECJ-UHFFFAOYSA-N 1 2 333.435 3.775 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC)cc1 ZINC000026475482 1042933226 /nfs/dbraw/zinc/93/32/26/1042933226.db2.gz SNPUQCYWQAPEAY-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000026475482 1042933229 /nfs/dbraw/zinc/93/32/29/1042933229.db2.gz SNPUQCYWQAPEAY-HNNXBMFYSA-N 1 2 342.439 3.553 20 0 EHADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000663558111 1042996326 /nfs/dbraw/zinc/99/63/26/1042996326.db2.gz DRQJZHYPRPCRAT-INIZCTEOSA-N 1 2 337.423 3.975 20 0 EHADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccco1 ZINC000117870930 1043023831 /nfs/dbraw/zinc/02/38/31/1043023831.db2.gz GEGKIPMXINVZJQ-HXUWFJFHSA-N 1 2 332.252 3.826 20 0 EHADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccco1 ZINC000117870930 1043023833 /nfs/dbraw/zinc/02/38/33/1043023833.db2.gz GEGKIPMXINVZJQ-HXUWFJFHSA-N 1 2 332.252 3.826 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)cc1OC(F)F)CC2 ZINC000512069126 1043108805 /nfs/dbraw/zinc/10/88/05/1043108805.db2.gz VUDBLOTYFLENLJ-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)cc1OC(F)F)CC2 ZINC000512069126 1043108808 /nfs/dbraw/zinc/10/88/08/1043108808.db2.gz VUDBLOTYFLENLJ-UHFFFAOYSA-N 1 2 349.377 3.864 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000344020789 1043113002 /nfs/dbraw/zinc/11/30/02/1043113002.db2.gz PDCNOKHDVXQARY-OIISXLGYSA-N 1 2 341.480 3.579 20 0 EHADLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000278985301 1043141898 /nfs/dbraw/zinc/14/18/98/1043141898.db2.gz QJCPTNQJEWQPPY-UHFFFAOYSA-N 1 2 329.469 3.609 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1(Cc2ccccc2F)CC1 ZINC000344079723 1043218031 /nfs/dbraw/zinc/21/80/31/1043218031.db2.gz DVLVVAFAUBZLDE-UHFFFAOYSA-N 1 2 349.409 3.651 20 0 EHADLO Cc1noc(C)c1C[C@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000663643660 1043231591 /nfs/dbraw/zinc/23/15/91/1043231591.db2.gz OCSQUWSIGZCYDV-ZETCQYMHSA-N 1 2 339.237 3.504 20 0 EHADLO COc1ccc2c(c1NC(=O)c1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000344099536 1043255831 /nfs/dbraw/zinc/25/58/31/1043255831.db2.gz YNMHDAMJPADJKV-UHFFFAOYSA-N 1 2 347.418 3.681 20 0 EHADLO C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279057245 1043275934 /nfs/dbraw/zinc/27/59/34/1043275934.db2.gz ZRFCVCGWWQPKHQ-MRXNPFEDSA-N 1 2 337.467 3.729 20 0 EHADLO C[N@H+](Cc1ncn(-c2ccccc2)n1)C1CCC(C(F)(F)F)CC1 ZINC000344183884 1043383199 /nfs/dbraw/zinc/38/31/99/1043383199.db2.gz UUCUYPJKFIZZHK-UHFFFAOYSA-N 1 2 338.377 3.820 20 0 EHADLO C[N@@H+](Cc1ncn(-c2ccccc2)n1)C1CCC(C(F)(F)F)CC1 ZINC000344183884 1043383211 /nfs/dbraw/zinc/38/32/11/1043383211.db2.gz UUCUYPJKFIZZHK-UHFFFAOYSA-N 1 2 338.377 3.820 20 0 EHADLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000344198306 1043411046 /nfs/dbraw/zinc/41/10/46/1043411046.db2.gz OHHDHOHYJBWCEJ-GOSISDBHSA-N 1 2 337.810 3.943 20 0 EHADLO CCCn1ncnc1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000279133524 1043412014 /nfs/dbraw/zinc/41/20/14/1043412014.db2.gz WNBIXAFHCDUCJJ-ZDUSSCGKSA-N 1 2 328.416 3.602 20 0 EHADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344208120 1043426919 /nfs/dbraw/zinc/42/69/19/1043426919.db2.gz JQJIPIDRBJUPHN-QGZVFWFLSA-N 1 2 349.434 3.686 20 0 EHADLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000344228009 1043481434 /nfs/dbraw/zinc/48/14/34/1043481434.db2.gz AZKZDRCSMKLOTN-CQSZACIVSA-N 1 2 347.459 3.976 20 0 EHADLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)n1 ZINC000344228009 1043481440 /nfs/dbraw/zinc/48/14/40/1043481440.db2.gz AZKZDRCSMKLOTN-CQSZACIVSA-N 1 2 347.459 3.976 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[S@](=O)c1ccccc1 ZINC000344234257 1043481453 /nfs/dbraw/zinc/48/14/53/1043481453.db2.gz JEJKZEGTGCMOQT-NPMABZOXSA-N 1 2 335.419 3.692 20 0 EHADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000344234257 1043481462 /nfs/dbraw/zinc/48/14/62/1043481462.db2.gz JEJKZEGTGCMOQT-NPMABZOXSA-N 1 2 335.419 3.692 20 0 EHADLO CC[C@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344235350 1043496158 /nfs/dbraw/zinc/49/61/58/1043496158.db2.gz KKLYLSWLEQRHBS-KRWDZBQOSA-N 1 2 346.858 3.949 20 0 EHADLO CC[C@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344235350 1043496160 /nfs/dbraw/zinc/49/61/60/1043496160.db2.gz KKLYLSWLEQRHBS-KRWDZBQOSA-N 1 2 346.858 3.949 20 0 EHADLO CC(C)(C)c1cnc(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000279182538 1043514058 /nfs/dbraw/zinc/51/40/58/1043514058.db2.gz SAZPCBAKFHSCOK-UHFFFAOYSA-N 1 2 345.512 3.885 20 0 EHADLO CCSCc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279212296 1043577820 /nfs/dbraw/zinc/57/78/20/1043577820.db2.gz LBOMKZKGTYZTFJ-UHFFFAOYSA-N 1 2 329.469 3.683 20 0 EHADLO COc1ccc2[nH]cc(CC(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2c1 ZINC000162700385 1043769613 /nfs/dbraw/zinc/76/96/13/1043769613.db2.gz IRMVUXZXHCNSRX-UHFFFAOYSA-N 1 2 346.390 3.748 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2ccc(F)cc2)n1 ZINC000162819062 1043794141 /nfs/dbraw/zinc/79/41/41/1043794141.db2.gz WAQGSJDPANVKAD-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076094216 1043865339 /nfs/dbraw/zinc/86/53/39/1043865339.db2.gz CGMSRPGHZUGOPT-YESZJQIVSA-N 1 2 332.492 3.904 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000279329689 1043950549 /nfs/dbraw/zinc/95/05/49/1043950549.db2.gz CPNJOXGEEZKIAZ-MRXNPFEDSA-N 1 2 339.361 3.793 20 0 EHADLO COC(=O)c1ccoc1COc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000344438414 1044008313 /nfs/dbraw/zinc/00/83/13/1044008313.db2.gz HUINEKAFBUMNBN-UHFFFAOYSA-N 1 2 327.336 3.510 20 0 EHADLO CC(C)c1ccccc1OCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344439455 1044008774 /nfs/dbraw/zinc/00/87/74/1044008774.db2.gz XTSBWDVYFAYYIH-UHFFFAOYSA-N 1 2 349.434 3.805 20 0 EHADLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000279374274 1044013245 /nfs/dbraw/zinc/01/32/45/1044013245.db2.gz HGKSGDHGZLWCFU-SNVBAGLBSA-N 1 2 326.227 3.569 20 0 EHADLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425973 1044074998 /nfs/dbraw/zinc/07/49/98/1044074998.db2.gz XJQVMGSGLWLHHJ-APPDUMDISA-N 1 2 335.473 3.576 20 0 EHADLO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000279425973 1044074999 /nfs/dbraw/zinc/07/49/99/1044074999.db2.gz XJQVMGSGLWLHHJ-APPDUMDISA-N 1 2 335.473 3.576 20 0 EHADLO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c(C)n1 ZINC000279470027 1044113922 /nfs/dbraw/zinc/11/39/22/1044113922.db2.gz JVZOHLVLICJKMF-CBAPKCEASA-N 1 2 330.379 3.981 20 0 EHADLO CC(C)n1nccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000279552795 1044223593 /nfs/dbraw/zinc/22/35/93/1044223593.db2.gz DNXKGPMYVCRHOS-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000279552795 1044223606 /nfs/dbraw/zinc/22/36/06/1044223606.db2.gz DNXKGPMYVCRHOS-UHFFFAOYSA-N 1 2 328.279 3.920 20 0 EHADLO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279558552 1044230944 /nfs/dbraw/zinc/23/09/44/1044230944.db2.gz RNRNHLDNEYADQL-NEPJUHHUSA-N 1 2 343.456 3.657 20 0 EHADLO Cc1ccc2[nH+]cc(CNc3cccc(NC(=O)N(C)C)c3C)n2c1 ZINC000279597720 1044282727 /nfs/dbraw/zinc/28/27/27/1044282727.db2.gz DEFBTAPQNRHOJA-UHFFFAOYSA-N 1 2 337.427 3.657 20 0 EHADLO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CCC2 ZINC000344697022 1044294424 /nfs/dbraw/zinc/29/44/24/1044294424.db2.gz FYGYKYNJKJZSOE-NSISKUIASA-N 1 2 349.478 3.656 20 0 EHADLO CC(C)[C@H]1C[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000279751604 1044528711 /nfs/dbraw/zinc/52/87/11/1044528711.db2.gz CKAPLAZUTAJGCJ-RTBURBONSA-N 1 2 340.471 3.799 20 0 EHADLO CCOc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)cn1 ZINC000663792113 1044605073 /nfs/dbraw/zinc/60/50/73/1044605073.db2.gz OCBSFAWLMUJDSI-UHFFFAOYSA-N 1 2 332.423 3.513 20 0 EHADLO Cn1cnc2cc(C[N@@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)ccc21 ZINC000344873330 1044637886 /nfs/dbraw/zinc/63/78/86/1044637886.db2.gz ACSPZAHWKQRVTK-LJQANCHMSA-N 1 2 341.842 3.800 20 0 EHADLO Cn1cnc2cc(C[N@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)ccc21 ZINC000344873330 1044637897 /nfs/dbraw/zinc/63/78/97/1044637897.db2.gz ACSPZAHWKQRVTK-LJQANCHMSA-N 1 2 341.842 3.800 20 0 EHADLO CC[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000279804577 1044676107 /nfs/dbraw/zinc/67/61/07/1044676107.db2.gz FCYJPNDYXMCYLD-QFBILLFUSA-N 1 2 325.456 3.764 20 0 EHADLO COC(=O)c1cc(CNc2c(C)c[nH+]c3c(OC)cccc23)oc1C ZINC000344936668 1044703088 /nfs/dbraw/zinc/70/30/88/1044703088.db2.gz ASGFAOJJXBLHRG-UHFFFAOYSA-N 1 2 340.379 3.852 20 0 EHADLO Cc1[nH+]cc(CNc2cccc(C(=O)NC3CC3)c2)n1-c1ccccc1 ZINC000432688978 1044856752 /nfs/dbraw/zinc/85/67/52/1044856752.db2.gz YKBLNPRDLIPLLZ-UHFFFAOYSA-N 1 2 346.434 3.685 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000153560115 1125630978 /nfs/dbraw/zinc/63/09/78/1125630978.db2.gz LBHZDVYBDVPPSL-GUYCJALGSA-N 1 2 345.830 3.659 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCc4c(C)cccc43)[nH+]c12 ZINC000620676848 1125631012 /nfs/dbraw/zinc/63/10/12/1125631012.db2.gz WLOFCJSTSFMPPV-LJQANCHMSA-N 1 2 333.435 3.687 20 0 EHADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000153814134 1125663277 /nfs/dbraw/zinc/66/32/77/1125663277.db2.gz MMPWHMMNKSFGBY-QGZVFWFLSA-N 1 2 331.847 3.716 20 0 EHADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000153814134 1125663279 /nfs/dbraw/zinc/66/32/79/1125663279.db2.gz MMPWHMMNKSFGBY-QGZVFWFLSA-N 1 2 331.847 3.716 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCc2ccccc21 ZINC000734425899 1131233260 /nfs/dbraw/zinc/23/32/60/1131233260.db2.gz DLJNIOQBIUWUPT-FUHWJXTLSA-N 1 2 325.456 3.534 20 0 EHADLO C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(C)(C)C ZINC000734444482 1131236407 /nfs/dbraw/zinc/23/64/07/1131236407.db2.gz CHUBWXWKVVPQIS-WBVHZDCISA-N 1 2 334.529 3.575 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c[nH+]1 ZINC000622667392 1126744557 /nfs/dbraw/zinc/74/45/57/1126744557.db2.gz DLMWKEMRGYOSHA-UHFFFAOYSA-N 1 2 346.843 3.733 20 0 EHADLO CC(C)COc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000171235947 1126757082 /nfs/dbraw/zinc/75/70/82/1126757082.db2.gz ASAZHROJVLZZAO-FQEVSTJZSA-N 1 2 340.467 3.641 20 0 EHADLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc(F)c(Cl)c1 ZINC000173772248 1126838601 /nfs/dbraw/zinc/83/86/01/1126838601.db2.gz PMBDOKPHLSGRAL-UHFFFAOYSA-N 1 2 338.732 3.692 20 0 EHADLO C[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1F ZINC000763829932 1126879788 /nfs/dbraw/zinc/87/97/88/1126879788.db2.gz VVYWNQYDWDHFPT-ZDUSSCGKSA-N 1 2 342.345 3.997 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](CC)CCC(F)(F)F)cc1 ZINC000623121758 1126880345 /nfs/dbraw/zinc/88/03/45/1126880345.db2.gz IWLYAZCQTVSPOG-CYBMUJFWSA-N 1 2 330.394 3.701 20 0 EHADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)CCC(F)(F)F)cc1 ZINC000623121758 1126880348 /nfs/dbraw/zinc/88/03/48/1126880348.db2.gz IWLYAZCQTVSPOG-CYBMUJFWSA-N 1 2 330.394 3.701 20 0 EHADLO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1=O ZINC000623232115 1126899356 /nfs/dbraw/zinc/89/93/56/1126899356.db2.gz VBCOJRBDEOXNKL-WMZOPIPTSA-N 1 2 342.439 3.666 20 0 EHADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000623253182 1126905938 /nfs/dbraw/zinc/90/59/38/1126905938.db2.gz BZMTXWNGJOYSRU-NSHDSACASA-N 1 2 326.227 3.848 20 0 EHADLO CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@H]1CCn4c[nH+]cc4C1)(C2)C3 ZINC000623303917 1126911195 /nfs/dbraw/zinc/91/11/95/1126911195.db2.gz NMEHPTULSLROID-GSEWJITGSA-N 1 2 341.499 3.701 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301818 1126911465 /nfs/dbraw/zinc/91/14/65/1126911465.db2.gz UKKXOIUZSHFUOB-BPRAZLKKSA-N 1 2 343.515 3.947 20 0 EHADLO CC(C)(CC(=O)N[C@H]1CCn2c[nH+]cc2C1)Cc1ccc(Cl)cc1 ZINC000623303189 1126911564 /nfs/dbraw/zinc/91/15/64/1126911564.db2.gz XDHGCCTYLPMKTB-INIZCTEOSA-N 1 2 345.874 3.627 20 0 EHADLO COc1ccccc1/C=C\C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000344708709 1126911859 /nfs/dbraw/zinc/91/18/59/1126911859.db2.gz ROOCXPLPMSNCNC-WRLNGNIRSA-N 1 2 343.496 3.544 20 0 EHADLO Clc1cc(C[NH2+]Cc2nnnn2C2CC2)ccc1-c1ccccc1 ZINC000623434680 1126955530 /nfs/dbraw/zinc/95/55/30/1126955530.db2.gz GKBZLMQWQRBDST-UHFFFAOYSA-N 1 2 339.830 3.618 20 0 EHADLO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185605796 1126956963 /nfs/dbraw/zinc/95/69/63/1126956963.db2.gz XPUQOQIRLQSBKT-WDEREUQCSA-N 1 2 348.256 3.743 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462542 1126961134 /nfs/dbraw/zinc/96/11/34/1126961134.db2.gz NLLSQIPDDFGWGR-KDOFPFPSSA-N 1 2 343.858 3.577 20 0 EHADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccn1 ZINC000623462542 1126961137 /nfs/dbraw/zinc/96/11/37/1126961137.db2.gz NLLSQIPDDFGWGR-KDOFPFPSSA-N 1 2 343.858 3.577 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000623486965 1126965290 /nfs/dbraw/zinc/96/52/90/1126965290.db2.gz ORQUGDAREPMCRN-KRWDZBQOSA-N 1 2 346.862 3.694 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277410 1126980286 /nfs/dbraw/zinc/98/02/86/1126980286.db2.gz PAXRXOKBCNREBI-BXKDBHETSA-N 1 2 338.167 3.509 20 0 EHADLO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177277410 1126980288 /nfs/dbraw/zinc/98/02/88/1126980288.db2.gz PAXRXOKBCNREBI-BXKDBHETSA-N 1 2 338.167 3.509 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000623565954 1126981856 /nfs/dbraw/zinc/98/18/56/1126981856.db2.gz AFMAKUGRZFSBGS-UHFFFAOYSA-N 1 2 342.455 3.608 20 0 EHADLO O=S(=O)(CC1CCCC1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000178371627 1127016408 /nfs/dbraw/zinc/01/64/08/1127016408.db2.gz VSLUBBFLZQWWNW-UHFFFAOYSA-N 1 2 330.453 3.608 20 0 EHADLO O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178593301 1127022165 /nfs/dbraw/zinc/02/21/65/1127022165.db2.gz HTVVNFINAGCUKH-UHFFFAOYSA-N 1 2 337.770 3.654 20 0 EHADLO CC(=O)c1cc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cs1 ZINC000349671593 1127046708 /nfs/dbraw/zinc/04/67/08/1127046708.db2.gz MWSGUUHXESDRAH-UHFFFAOYSA-N 1 2 338.392 3.548 20 0 EHADLO CC[N@H+](Cc1cnn(C)c1)Cc1c(Cl)cccc1N1CCCC1 ZINC000179838890 1127095245 /nfs/dbraw/zinc/09/52/45/1127095245.db2.gz CMESOEMIALJTDK-UHFFFAOYSA-N 1 2 332.879 3.696 20 0 EHADLO CC[N@@H+](Cc1cnn(C)c1)Cc1c(Cl)cccc1N1CCCC1 ZINC000179838890 1127095248 /nfs/dbraw/zinc/09/52/48/1127095248.db2.gz CMESOEMIALJTDK-UHFFFAOYSA-N 1 2 332.879 3.696 20 0 EHADLO COc1cc(OC)cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000350817803 1127105519 /nfs/dbraw/zinc/10/55/19/1127105519.db2.gz TYGWGHAOUYZYSE-UHFFFAOYSA-N 1 2 348.362 3.607 20 0 EHADLO C[C@H](CC(=O)NCc1ccn2cc[nH+]c2c1)Cc1ccc(Cl)cc1 ZINC000180023581 1127110818 /nfs/dbraw/zinc/11/08/18/1127110818.db2.gz QOPPCANTCNBIPZ-AWEZNQCLSA-N 1 2 341.842 3.873 20 0 EHADLO CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1 ZINC000180031939 1127111186 /nfs/dbraw/zinc/11/11/86/1127111186.db2.gz WGMOCNCNYZRGHD-TWINXVHLSA-N 1 2 335.835 3.917 20 0 EHADLO COCCOCc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000623759946 1127125380 /nfs/dbraw/zinc/12/53/80/1127125380.db2.gz CIWSXRVKSLXBAN-UHFFFAOYSA-N 1 2 337.423 3.647 20 0 EHADLO CC(C)(O)C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000180210825 1127133318 /nfs/dbraw/zinc/13/33/18/1127133318.db2.gz PXXNZEMUPXJNRL-UHFFFAOYSA-N 1 2 344.402 3.935 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000180210825 1127133321 /nfs/dbraw/zinc/13/33/21/1127133321.db2.gz PXXNZEMUPXJNRL-UHFFFAOYSA-N 1 2 344.402 3.935 20 0 EHADLO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cccc2[nH+]ccn21 ZINC000180229496 1127134948 /nfs/dbraw/zinc/13/49/48/1127134948.db2.gz MIYZXNPFHVFHJL-KDOFPFPSSA-N 1 2 341.842 3.950 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000180546601 1127170906 /nfs/dbraw/zinc/17/09/06/1127170906.db2.gz MKQWXZYIMZHKTO-CZUORRHYSA-N 1 2 333.501 3.741 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H](c2ccsc2)O1 ZINC000180546601 1127170913 /nfs/dbraw/zinc/17/09/13/1127170913.db2.gz MKQWXZYIMZHKTO-CZUORRHYSA-N 1 2 333.501 3.741 20 0 EHADLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000180826085 1127188692 /nfs/dbraw/zinc/18/86/92/1127188692.db2.gz CRHDGSVJURBLIZ-HNNXBMFYSA-N 1 2 339.443 3.695 20 0 EHADLO Cc1nc(C[NH2+]Cc2cc(Br)cnc2Cl)sc1C ZINC000842687443 1127190711 /nfs/dbraw/zinc/19/07/11/1127190711.db2.gz YDHWIJVHQADATL-UHFFFAOYSA-N 1 2 346.681 3.861 20 0 EHADLO Cc1csc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000623954318 1127221623 /nfs/dbraw/zinc/22/16/23/1127221623.db2.gz JMYUZQWZMKEQOS-IHRRRGAJSA-N 1 2 332.473 3.633 20 0 EHADLO Cc1csc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000623954317 1127221773 /nfs/dbraw/zinc/22/17/73/1127221773.db2.gz JMYUZQWZMKEQOS-HZSPNIEDSA-N 1 2 332.473 3.633 20 0 EHADLO COc1ccc(-c2cc(C[NH2+][C@H]3CCCc4scnc43)on2)cc1 ZINC000624013068 1127233202 /nfs/dbraw/zinc/23/32/02/1127233202.db2.gz RSLDXWLSVWPYKO-HNNXBMFYSA-N 1 2 341.436 3.974 20 0 EHADLO c1[nH+]cn2c1c(N1CCC[C@@H](C[C@H]3CCOC3)C1)nc1ccccc12 ZINC000624083793 1127247892 /nfs/dbraw/zinc/24/78/92/1127247892.db2.gz CSBMIOJXAHSMDZ-JKSUJKDBSA-N 1 2 336.439 3.526 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)cc1F ZINC000181634391 1127286278 /nfs/dbraw/zinc/28/62/78/1127286278.db2.gz CQILGLDEZYAWQD-INIZCTEOSA-N 1 2 349.406 3.521 20 0 EHADLO Cc1[nH+]cc(CNc2nnc(CC3CCCC3)o2)n1-c1ccccc1 ZINC000181808067 1127297449 /nfs/dbraw/zinc/29/74/49/1127297449.db2.gz VRQDOPCILJUNGW-UHFFFAOYSA-N 1 2 337.427 3.909 20 0 EHADLO Cc1cccn2c(CNc3nnc(CCCc4ccccc4)o3)c[nH+]c12 ZINC000181839779 1127298791 /nfs/dbraw/zinc/29/87/91/1127298791.db2.gz ZYNHSRFKJKBCJA-UHFFFAOYSA-N 1 2 347.422 3.813 20 0 EHADLO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3nccc(N)n3)cc2)c1 ZINC000182070221 1127310711 /nfs/dbraw/zinc/31/07/11/1127310711.db2.gz BKGSTFSIVCIDNE-INIZCTEOSA-N 1 2 348.450 3.797 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182410588 1127328426 /nfs/dbraw/zinc/32/84/26/1127328426.db2.gz XOPWFSYIVUFATN-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000182410588 1127328431 /nfs/dbraw/zinc/32/84/31/1127328431.db2.gz XOPWFSYIVUFATN-SNVBAGLBSA-N 1 2 331.243 3.552 20 0 EHADLO CC(=O)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000182528255 1127335350 /nfs/dbraw/zinc/33/53/50/1127335350.db2.gz OGGKERLVSKCETO-UHFFFAOYSA-N 1 2 346.818 3.561 20 0 EHADLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(F)cc1F ZINC000182887618 1127352458 /nfs/dbraw/zinc/35/24/58/1127352458.db2.gz PKQPOTQZPSPUTQ-KRWDZBQOSA-N 1 2 333.382 3.760 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1O ZINC000183538778 1127380362 /nfs/dbraw/zinc/38/03/62/1127380362.db2.gz YZAWOXYFMJWVHD-FQEVSTJZSA-N 1 2 338.382 3.814 20 0 EHADLO O=C(NCCC1=CCCCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000183784407 1127387082 /nfs/dbraw/zinc/38/70/82/1127387082.db2.gz VJSDPYNGDLSQBE-UHFFFAOYSA-N 1 2 342.487 3.762 20 0 EHADLO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000184247896 1127399442 /nfs/dbraw/zinc/39/94/42/1127399442.db2.gz RIUKDARYWVNNJM-HOCLYGCPSA-N 1 2 331.485 3.760 20 0 EHADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184463163 1127405358 /nfs/dbraw/zinc/40/53/58/1127405358.db2.gz AUSRQWASJVOKMS-CQSZACIVSA-N 1 2 345.512 3.750 20 0 EHADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(C)C ZINC000184851072 1127414541 /nfs/dbraw/zinc/41/45/41/1127414541.db2.gz FUFRCHGYUBGMIZ-INIZCTEOSA-N 1 2 343.471 3.885 20 0 EHADLO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1nccs1 ZINC000185040560 1127418762 /nfs/dbraw/zinc/41/87/62/1127418762.db2.gz FRTAZHLYFZOVHA-FZMZJTMJSA-N 1 2 337.876 3.715 20 0 EHADLO CC[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1nccs1 ZINC000185088784 1127420078 /nfs/dbraw/zinc/42/00/78/1127420078.db2.gz AVWAMAVGSPMSQH-HNNXBMFYSA-N 1 2 325.437 3.976 20 0 EHADLO C[C@H](NC(=O)N1CCCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185558897 1127427583 /nfs/dbraw/zinc/42/75/83/1127427583.db2.gz BCISWYQITXGPSX-HOTGVXAUSA-N 1 2 326.444 3.765 20 0 EHADLO CC(C)C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000193337852 1127435683 /nfs/dbraw/zinc/43/56/83/1127435683.db2.gz TZWRNXAUZSNAGE-QGZVFWFLSA-N 1 2 333.863 3.910 20 0 EHADLO Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)c(Oc2ccccc2)c1 ZINC000193493008 1127438455 /nfs/dbraw/zinc/43/84/55/1127438455.db2.gz FRPONRHMLWULFX-UHFFFAOYSA-N 1 2 349.434 3.770 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2cc(C)c(F)c(C)c2)[nH+]1 ZINC000764144262 1127450166 /nfs/dbraw/zinc/45/01/66/1127450166.db2.gz WTLLXQZZEBFDGZ-UHFFFAOYSA-N 1 2 345.414 3.952 20 0 EHADLO CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194599081 1127462684 /nfs/dbraw/zinc/46/26/84/1127462684.db2.gz JBWSEILQAFRLSJ-UHFFFAOYSA-N 1 2 325.343 3.662 20 0 EHADLO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(F)C(F)(F)F ZINC000764506602 1127501168 /nfs/dbraw/zinc/50/11/68/1127501168.db2.gz JVJCAIJFYOQIHZ-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H](F)C(F)(F)F ZINC000764506602 1127501170 /nfs/dbraw/zinc/50/11/70/1127501170.db2.gz JVJCAIJFYOQIHZ-OAHLLOKOSA-N 1 2 346.368 3.579 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1OC ZINC000764767267 1127529192 /nfs/dbraw/zinc/52/91/92/1127529192.db2.gz AFPMHUCVWUAEAD-HNNXBMFYSA-N 1 2 344.484 3.602 20 0 EHADLO CC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1OC ZINC000764767267 1127529194 /nfs/dbraw/zinc/52/91/94/1127529194.db2.gz AFPMHUCVWUAEAD-HNNXBMFYSA-N 1 2 344.484 3.602 20 0 EHADLO Fc1cccc(C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000764849793 1127543174 /nfs/dbraw/zinc/54/31/74/1127543174.db2.gz IMFINWYYVRRECL-UHFFFAOYSA-N 1 2 326.419 3.600 20 0 EHADLO Fc1cccc(C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000764849793 1127543175 /nfs/dbraw/zinc/54/31/75/1127543175.db2.gz IMFINWYYVRRECL-UHFFFAOYSA-N 1 2 326.419 3.600 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2ccccn2)n(C)c1=S)C(C)C ZINC000764900089 1127549738 /nfs/dbraw/zinc/54/97/38/1127549738.db2.gz SZFMUVJOWNLUHF-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2ccccn2)n(C)c1=S)C(C)C ZINC000764900089 1127549740 /nfs/dbraw/zinc/54/97/40/1127549740.db2.gz SZFMUVJOWNLUHF-UHFFFAOYSA-N 1 2 333.505 3.871 20 0 EHADLO Brc1ccc2c(c1)C[N@@H+](CCCCCn1cccn1)C2 ZINC000765057808 1127568215 /nfs/dbraw/zinc/56/82/15/1127568215.db2.gz VFCAMMOGPUZCTL-UHFFFAOYSA-N 1 2 334.261 3.832 20 0 EHADLO Brc1ccc2c(c1)C[N@H+](CCCCCn1cccn1)C2 ZINC000765057808 1127568218 /nfs/dbraw/zinc/56/82/18/1127568218.db2.gz VFCAMMOGPUZCTL-UHFFFAOYSA-N 1 2 334.261 3.832 20 0 EHADLO Cc1c2cccc(Cl)c2oc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154910122 1127633164 /nfs/dbraw/zinc/63/31/64/1127633164.db2.gz FJZPYABBDZDSJQ-UHFFFAOYSA-N 1 2 331.803 3.753 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000010767321 1127633413 /nfs/dbraw/zinc/63/34/13/1127633413.db2.gz BSCSBDLJNLSGRY-ZDUSSCGKSA-N 1 2 330.453 3.532 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000010767321 1127633417 /nfs/dbraw/zinc/63/34/17/1127633417.db2.gz BSCSBDLJNLSGRY-ZDUSSCGKSA-N 1 2 330.453 3.532 20 0 EHADLO Cc1ccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000015450405 1127653870 /nfs/dbraw/zinc/65/38/70/1127653870.db2.gz ZLYDVNJBUJMJRU-UHFFFAOYSA-N 1 2 327.815 3.517 20 0 EHADLO Cc1ccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000015450405 1127653873 /nfs/dbraw/zinc/65/38/73/1127653873.db2.gz ZLYDVNJBUJMJRU-UHFFFAOYSA-N 1 2 327.815 3.517 20 0 EHADLO CCN(C(=O)C[N@H+](C)Cc1cccs1)c1nc2ccccc2s1 ZINC000015450887 1127653987 /nfs/dbraw/zinc/65/39/87/1127653987.db2.gz KIBJXDZUQIVFRX-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO CCN(C(=O)C[N@@H+](C)Cc1cccs1)c1nc2ccccc2s1 ZINC000015450887 1127653989 /nfs/dbraw/zinc/65/39/89/1127653989.db2.gz KIBJXDZUQIVFRX-UHFFFAOYSA-N 1 2 345.493 3.843 20 0 EHADLO Cc1ccccc1C[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015419762 1127653997 /nfs/dbraw/zinc/65/39/97/1127653997.db2.gz CIVZTDDWEDLUQQ-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO Cc1ccccc1C[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015419762 1127653998 /nfs/dbraw/zinc/65/39/98/1127653998.db2.gz CIVZTDDWEDLUQQ-UHFFFAOYSA-N 1 2 327.815 3.929 20 0 EHADLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000015452166 1127654622 /nfs/dbraw/zinc/65/46/22/1127654622.db2.gz FZCRBKKLPCMXHU-MRXNPFEDSA-N 1 2 343.496 3.692 20 0 EHADLO CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000015452166 1127654625 /nfs/dbraw/zinc/65/46/25/1127654625.db2.gz FZCRBKKLPCMXHU-MRXNPFEDSA-N 1 2 343.496 3.692 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nnc2ccccn21 ZINC000015593875 1127655810 /nfs/dbraw/zinc/65/58/10/1127655810.db2.gz KNQOTKJJOTXQFA-CYBMUJFWSA-N 1 2 336.370 3.979 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccco1 ZINC000016381210 1127662515 /nfs/dbraw/zinc/66/25/15/1127662515.db2.gz LSPDCEWJWIKKBZ-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccco1 ZINC000016381210 1127662516 /nfs/dbraw/zinc/66/25/16/1127662516.db2.gz LSPDCEWJWIKKBZ-LLVKDONJSA-N 1 2 326.318 3.757 20 0 EHADLO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(Br)cc1 ZINC000021581262 1127683781 /nfs/dbraw/zinc/68/37/81/1127683781.db2.gz MXXOLMUBHZDVTR-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(Br)cc1 ZINC000021581262 1127683783 /nfs/dbraw/zinc/68/37/83/1127683783.db2.gz MXXOLMUBHZDVTR-UHFFFAOYSA-N 1 2 348.200 3.724 20 0 EHADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000020814311 1127679899 /nfs/dbraw/zinc/67/98/99/1127679899.db2.gz KSNYKBOMJQDWNG-HNNXBMFYSA-N 1 2 348.454 3.699 20 0 EHADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000020814311 1127679902 /nfs/dbraw/zinc/67/99/02/1127679902.db2.gz KSNYKBOMJQDWNG-HNNXBMFYSA-N 1 2 348.454 3.699 20 0 EHADLO O=C(N1CC[NH+](Cc2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000021929652 1127686384 /nfs/dbraw/zinc/68/63/84/1127686384.db2.gz WDFOJRWMFPIEQN-UHFFFAOYSA-N 1 2 344.524 3.609 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000024152485 1127703265 /nfs/dbraw/zinc/70/32/65/1127703265.db2.gz NCRUGXRHDXYIBX-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000024152485 1127703269 /nfs/dbraw/zinc/70/32/69/1127703269.db2.gz NCRUGXRHDXYIBX-UHFFFAOYSA-N 1 2 345.399 3.577 20 0 EHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc3ccccc3c2)C(C)(C)CO1 ZINC000734485239 1131240644 /nfs/dbraw/zinc/24/06/44/1131240644.db2.gz DWCMMFYAUFPGSA-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C(C)(C)CO1 ZINC000734485239 1131240650 /nfs/dbraw/zinc/24/06/50/1131240650.db2.gz DWCMMFYAUFPGSA-UHFFFAOYSA-N 1 2 326.440 3.668 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000765667040 1127720383 /nfs/dbraw/zinc/72/03/83/1127720383.db2.gz FLZAMCSIDUZIJR-SUQGKYDKSA-N 1 2 336.439 3.609 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)o1 ZINC000921552493 1127727486 /nfs/dbraw/zinc/72/74/86/1127727486.db2.gz LMKKZWATTSFPIV-SMDDNHRTSA-N 1 2 328.441 3.550 20 0 EHADLO O=C(OC[C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765712297 1127733005 /nfs/dbraw/zinc/73/30/05/1127733005.db2.gz QVVJCWXZCDLKOO-MRXNPFEDSA-N 1 2 334.375 3.595 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C(F)F)o1 ZINC000624280667 1127755793 /nfs/dbraw/zinc/75/57/93/1127755793.db2.gz MXKPEMZLMKKXNC-UHFFFAOYSA-N 1 2 335.354 3.533 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1C ZINC000765739247 1127760235 /nfs/dbraw/zinc/76/02/35/1127760235.db2.gz GSZUDPRGDVQEHF-FNORWQNLSA-N 1 2 335.407 3.518 20 0 EHADLO Cc1ccc(CCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000027482543 1127780756 /nfs/dbraw/zinc/78/07/56/1127780756.db2.gz ZAKNTXDJPQICNO-UHFFFAOYSA-N 1 2 347.462 3.531 20 0 EHADLO Cc1cc([C@H](C)[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)nn1C ZINC000624290304 1127791195 /nfs/dbraw/zinc/79/11/95/1127791195.db2.gz ZHADFPLNVUNVPO-XHDPSFHLSA-N 1 2 342.270 3.810 20 0 EHADLO NC(=O)c1cccc(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000029173180 1127795558 /nfs/dbraw/zinc/79/55/58/1127795558.db2.gz VHJLUFHXPGOHHV-UHFFFAOYSA-N 1 2 326.421 3.642 20 0 EHADLO NC(=O)c1cccc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000029173180 1127795560 /nfs/dbraw/zinc/79/55/60/1127795560.db2.gz VHJLUFHXPGOHHV-UHFFFAOYSA-N 1 2 326.421 3.642 20 0 EHADLO CCOC(=O)C1=C(Nc2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC001168561536 1127798452 /nfs/dbraw/zinc/79/84/52/1127798452.db2.gz NFRXXAIEVYFWKQ-UHFFFAOYSA-N 1 2 325.412 3.735 20 0 EHADLO CO[C@@H](CN1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000338565496 1127817499 /nfs/dbraw/zinc/81/74/99/1127817499.db2.gz XSSMHOPOMLWRJK-LPHOPBHVSA-N 1 2 330.497 3.814 20 0 EHADLO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000031906431 1127842636 /nfs/dbraw/zinc/84/26/36/1127842636.db2.gz MQGCLZIQUROBGN-ZDUSSCGKSA-N 1 2 341.798 3.932 20 0 EHADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000031896206 1127842692 /nfs/dbraw/zinc/84/26/92/1127842692.db2.gz VCKTVWCLHFOQBV-AWEZNQCLSA-N 1 2 336.794 3.639 20 0 EHADLO O=C(c1ccsc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757235 1127857642 /nfs/dbraw/zinc/85/76/42/1127857642.db2.gz YBZUHCZAVAOYFL-UHFFFAOYSA-N 1 2 342.489 3.921 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000041178747 1127873931 /nfs/dbraw/zinc/87/39/31/1127873931.db2.gz LXKLBRIYNOSUFU-DOTOQJQBSA-N 1 2 328.460 3.748 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CCC(F)(F)F ZINC000104677480 1127891813 /nfs/dbraw/zinc/89/18/13/1127891813.db2.gz ZLGYCTBZFYHMSU-QWHCGFSZSA-N 1 2 328.378 3.627 20 0 EHADLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CCC(F)(F)F ZINC000104677480 1127891816 /nfs/dbraw/zinc/89/18/16/1127891816.db2.gz ZLGYCTBZFYHMSU-QWHCGFSZSA-N 1 2 328.378 3.627 20 0 EHADLO Cc1ccc(-c2cc(Nc3ccc[nH+]c3N3CCOCC3)on2)cc1 ZINC001212352307 1127910290 /nfs/dbraw/zinc/91/02/90/1127910290.db2.gz UJCAOVXFVJWGTL-UHFFFAOYSA-N 1 2 336.395 3.625 20 0 EHADLO Cc1cc(Br)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358327 1127958163 /nfs/dbraw/zinc/95/81/63/1127958163.db2.gz DZYQFWFJWMBXAS-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccc2c(c1)OCO2 ZINC000045735851 1127958170 /nfs/dbraw/zinc/95/81/70/1127958170.db2.gz CQMVEUTZSDLNPV-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccc2c(c1)OCO2 ZINC000045735851 1127958173 /nfs/dbraw/zinc/95/81/73/1127958173.db2.gz CQMVEUTZSDLNPV-UHFFFAOYSA-N 1 2 340.354 3.841 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000046341611 1127976496 /nfs/dbraw/zinc/97/64/96/1127976496.db2.gz BNGREDKFVQKNMB-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000046341611 1127976499 /nfs/dbraw/zinc/97/64/99/1127976499.db2.gz BNGREDKFVQKNMB-GASCZTMLSA-N 1 2 342.414 3.687 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1nncn1C ZINC000671701874 1128016432 /nfs/dbraw/zinc/01/64/32/1128016432.db2.gz SHTCMQCIXBPAAU-ZDUSSCGKSA-N 1 2 344.793 3.557 20 0 EHADLO Cc1ccc(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)s1 ZINC000347512652 1128027932 /nfs/dbraw/zinc/02/79/32/1128027932.db2.gz WDUREZJWCGSOFA-UHFFFAOYSA-N 1 2 336.420 3.942 20 0 EHADLO O=C(CCOc1ccc(Cl)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866672 1128031095 /nfs/dbraw/zinc/03/10/95/1128031095.db2.gz VAVSJTZNYMYQLB-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC000057373115 1128045478 /nfs/dbraw/zinc/04/54/78/1128045478.db2.gz ACKFLQQHUYNUOF-HNNXBMFYSA-N 1 2 332.423 3.595 20 0 EHADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCCCn1cc[nH+]c1 ZINC000057374777 1128045749 /nfs/dbraw/zinc/04/57/49/1128045749.db2.gz ZXMWHCWOMCPPBN-INIZCTEOSA-N 1 2 344.459 3.578 20 0 EHADLO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057379000 1128046371 /nfs/dbraw/zinc/04/63/71/1128046371.db2.gz FHKOSWPACJXTDA-UHFFFAOYSA-N 1 2 342.487 3.802 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000057431069 1128049432 /nfs/dbraw/zinc/04/94/32/1128049432.db2.gz UICTZKVSSXMFCT-CHWSQXEVSA-N 1 2 339.361 3.600 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2coc(-c3cccc(F)c3)n2)ccn1 ZINC000347546441 1128068244 /nfs/dbraw/zinc/06/82/44/1128068244.db2.gz WNUCJRXNIRVJIG-GFCCVEGCSA-N 1 2 327.359 3.735 20 0 EHADLO Cc1cc(O[C@H](C)C(=O)NCCCCn2cc[nH+]c2)ccc1C(C)C ZINC000060407926 1128100840 /nfs/dbraw/zinc/10/08/40/1128100840.db2.gz FHQOVYDOLMJTGE-QGZVFWFLSA-N 1 2 343.471 3.679 20 0 EHADLO Cc1ccsc1CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060604117 1128109753 /nfs/dbraw/zinc/10/97/53/1128109753.db2.gz MLHLRRFCBFJTQY-UHFFFAOYSA-N 1 2 325.437 3.574 20 0 EHADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000060615956 1128110386 /nfs/dbraw/zinc/11/03/86/1128110386.db2.gz PKHONPOTDFBEQX-UHFFFAOYSA-N 1 2 349.409 3.875 20 0 EHADLO Cc1cc(C)cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282242700 1128126773 /nfs/dbraw/zinc/12/67/73/1128126773.db2.gz IMYRLIUYYDPIEG-KRWDZBQOSA-N 1 2 337.467 3.856 20 0 EHADLO Fc1ccc2c(C3=CC[N@H+](Cc4nnc(C5CC5)o4)CC3)c[nH]c2c1 ZINC000064141739 1128163360 /nfs/dbraw/zinc/16/33/60/1128163360.db2.gz JMYJZQTXAFSSJN-UHFFFAOYSA-N 1 2 338.386 3.857 20 0 EHADLO Fc1ccc2c(C3=CC[N@@H+](Cc4nnc(C5CC5)o4)CC3)c[nH]c2c1 ZINC000064141739 1128163362 /nfs/dbraw/zinc/16/33/62/1128163362.db2.gz JMYJZQTXAFSSJN-UHFFFAOYSA-N 1 2 338.386 3.857 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000065602902 1128195386 /nfs/dbraw/zinc/19/53/86/1128195386.db2.gz SJJKVVIHBZEZOR-OAHLLOKOSA-N 1 2 340.467 3.776 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000065602902 1128195388 /nfs/dbraw/zinc/19/53/88/1128195388.db2.gz SJJKVVIHBZEZOR-OAHLLOKOSA-N 1 2 340.467 3.776 20 0 EHADLO CCCc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000067792836 1128249993 /nfs/dbraw/zinc/24/99/93/1128249993.db2.gz YEMAJBJOYXHMOP-UHFFFAOYSA-N 1 2 333.435 3.814 20 0 EHADLO Cn1ccnc1[C@H]([NH2+][C@H]1COc2c1ccc(Cl)c2Cl)C1CC1 ZINC000671766339 1128261749 /nfs/dbraw/zinc/26/17/49/1128261749.db2.gz HKDIAAAQVBMDSH-GXTWGEPZSA-N 1 2 338.238 3.901 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000066564621 1128221481 /nfs/dbraw/zinc/22/14/81/1128221481.db2.gz HPCVODRLGJMKFZ-INIZCTEOSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000066564621 1128221482 /nfs/dbraw/zinc/22/14/82/1128221482.db2.gz HPCVODRLGJMKFZ-INIZCTEOSA-N 1 2 326.440 3.539 20 0 EHADLO C[C@H](CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000067065177 1128233100 /nfs/dbraw/zinc/23/31/00/1128233100.db2.gz CTLJQENEPJKZFX-QGZVFWFLSA-N 1 2 348.450 3.817 20 0 EHADLO COc1c(C)c[nH+]c(CN2CCC([C@H](O)c3ccccc3)CC2)c1C ZINC000067226728 1128236622 /nfs/dbraw/zinc/23/66/22/1128236622.db2.gz ZAYHLVCQHYFHDW-HXUWFJFHSA-N 1 2 340.467 3.653 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(O)c2ccccc2c1 ZINC000352306679 1128242526 /nfs/dbraw/zinc/24/25/26/1128242526.db2.gz ORKSJHVJGTVNKF-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1F ZINC000069217476 1128284213 /nfs/dbraw/zinc/28/42/13/1128284213.db2.gz JFRPKXRYCAZDCW-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1F ZINC000069217476 1128284218 /nfs/dbraw/zinc/28/42/18/1128284218.db2.gz JFRPKXRYCAZDCW-UHFFFAOYSA-N 1 2 330.403 3.522 20 0 EHADLO CCCCS[C@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000070889461 1128296247 /nfs/dbraw/zinc/29/62/47/1128296247.db2.gz JDZSMPRJNGTZEU-OAHLLOKOSA-N 1 2 347.484 3.822 20 0 EHADLO CCc1ccc(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)cc1 ZINC000072621623 1128303353 /nfs/dbraw/zinc/30/33/53/1128303353.db2.gz UJJNGTZPLRVMSX-UHFFFAOYSA-N 1 2 326.425 3.598 20 0 EHADLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000072723993 1128304632 /nfs/dbraw/zinc/30/46/32/1128304632.db2.gz FJJZIYWHHKYFPP-LLVKDONJSA-N 1 2 345.270 3.557 20 0 EHADLO Cc1cc(C(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000072770456 1128305373 /nfs/dbraw/zinc/30/53/73/1128305373.db2.gz UJORCNUEDPYTOH-VXGBXAGGSA-N 1 2 348.434 3.676 20 0 EHADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccco1 ZINC000073618323 1128325800 /nfs/dbraw/zinc/32/58/00/1128325800.db2.gz WDRJAGLNQCEFLH-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccco1 ZINC000073618323 1128325805 /nfs/dbraw/zinc/32/58/05/1128325805.db2.gz WDRJAGLNQCEFLH-AWEZNQCLSA-N 1 2 347.484 3.922 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[C@H]2C=CCC2)CC1 ZINC001687482811 1128341924 /nfs/dbraw/zinc/34/19/24/1128341924.db2.gz DPTQDLIRVSCFRJ-SJORKVTESA-N 1 2 347.528 3.883 20 0 EHADLO Cc1nc(N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc[nH+]1 ZINC000624448877 1128365738 /nfs/dbraw/zinc/36/57/38/1128365738.db2.gz QSIQXERGEBFHCA-UHFFFAOYSA-N 1 2 341.459 3.675 20 0 EHADLO FCC[C@@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000624652842 1128419179 /nfs/dbraw/zinc/41/91/79/1128419179.db2.gz RSOFSRAYDJTHBW-CYBMUJFWSA-N 1 2 328.309 3.818 20 0 EHADLO FCC[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000624652942 1128419190 /nfs/dbraw/zinc/41/91/90/1128419190.db2.gz VPUZNCVMIRQLLF-ZDUSSCGKSA-N 1 2 339.208 3.562 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3occ4c3CCOC4)cc2)[nH+]c1C ZINC000921652550 1128434128 /nfs/dbraw/zinc/43/41/28/1128434128.db2.gz AJCYPNVFCBZRRU-UHFFFAOYSA-N 1 2 337.379 3.612 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cnc4n3CCCCC4)cc2)[nH+]c1C ZINC000921652452 1128434274 /nfs/dbraw/zinc/43/42/74/1128434274.db2.gz IFKRDNFRGPNGCD-UHFFFAOYSA-N 1 2 349.438 3.869 20 0 EHADLO CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921655041 1128436849 /nfs/dbraw/zinc/43/68/49/1128436849.db2.gz HQVLFAOVWGZJFN-IRXDYDNUSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)cc2)[nH+]c1C ZINC000921663432 1128441894 /nfs/dbraw/zinc/44/18/94/1128441894.db2.gz WUVUGXZDRZUZIX-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO CCOC1CC2(C[C@H]2C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921671648 1128451916 /nfs/dbraw/zinc/45/19/16/1128451916.db2.gz YHRLKKTYYNCILQ-GNZRSQJKSA-N 1 2 339.439 3.837 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000655146498 1128464679 /nfs/dbraw/zinc/46/46/79/1128464679.db2.gz MJDWBNBYWVKRMS-IDCNUPLLSA-N 1 2 325.456 3.677 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000655146498 1128464681 /nfs/dbraw/zinc/46/46/81/1128464681.db2.gz MJDWBNBYWVKRMS-IDCNUPLLSA-N 1 2 325.456 3.677 20 0 EHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000186426048 1128494167 /nfs/dbraw/zinc/49/41/67/1128494167.db2.gz HEZXOCHXTXVCCD-UHFFFAOYSA-N 1 2 329.831 3.957 20 0 EHADLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106862423 1128515339 /nfs/dbraw/zinc/51/53/39/1128515339.db2.gz LICYJGSHNBOVDC-HNNXBMFYSA-N 1 2 338.455 3.556 20 0 EHADLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106862423 1128515341 /nfs/dbraw/zinc/51/53/41/1128515341.db2.gz LICYJGSHNBOVDC-HNNXBMFYSA-N 1 2 338.455 3.556 20 0 EHADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000542717672 1128558674 /nfs/dbraw/zinc/55/86/74/1128558674.db2.gz NNONJVSWXGKZNP-HXUWFJFHSA-N 1 2 341.451 3.537 20 0 EHADLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000542717672 1128558677 /nfs/dbraw/zinc/55/86/77/1128558677.db2.gz NNONJVSWXGKZNP-HXUWFJFHSA-N 1 2 341.451 3.537 20 0 EHADLO Cc1cnc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)s1 ZINC000542702582 1128545666 /nfs/dbraw/zinc/54/56/66/1128545666.db2.gz ZDHMMGMNQKKEHN-NSCUHMNNSA-N 1 2 335.423 3.565 20 0 EHADLO C[C@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ncc[nH]1 ZINC000353523383 1128585731 /nfs/dbraw/zinc/58/57/31/1128585731.db2.gz TWZDKGJBONJJMG-KSSFIOAISA-N 1 2 349.413 3.991 20 0 EHADLO Cc1cccc([C@@H](NC(=O)c2cccc3[nH+]ccn32)c2ccccn2)c1 ZINC000765891107 1128639107 /nfs/dbraw/zinc/63/91/07/1128639107.db2.gz DHAGTEAWNKGNTE-HXUWFJFHSA-N 1 2 342.402 3.557 20 0 EHADLO CC(C)(C)CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000153761285 1128671703 /nfs/dbraw/zinc/67/17/03/1128671703.db2.gz FLOCRWNBSNHCEP-UHFFFAOYSA-N 1 2 342.487 3.599 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1Cl ZINC000631694334 1128676217 /nfs/dbraw/zinc/67/62/17/1128676217.db2.gz RZZXFNIUEHLTCI-QGZVFWFLSA-N 1 2 348.878 3.839 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000072862984 1128740520 /nfs/dbraw/zinc/74/05/20/1128740520.db2.gz PBUYFQSJBLUTBW-ZDUSSCGKSA-N 1 2 336.888 3.581 20 0 EHADLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000072862984 1128740523 /nfs/dbraw/zinc/74/05/23/1128740523.db2.gz PBUYFQSJBLUTBW-ZDUSSCGKSA-N 1 2 336.888 3.581 20 0 EHADLO CCc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000672112527 1128754729 /nfs/dbraw/zinc/75/47/29/1128754729.db2.gz JCWWDHRCLORQEJ-UHFFFAOYSA-N 1 2 337.398 3.814 20 0 EHADLO Brc1cccc2c(NCCNc3ccccn3)cc[nH+]c12 ZINC000338735074 1128788301 /nfs/dbraw/zinc/78/83/01/1128788301.db2.gz ZQGAYZHWAMWKQJ-UHFFFAOYSA-N 1 2 343.228 3.916 20 0 EHADLO CC[N@@H+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)[C@@H](C)C1 ZINC000672190248 1128838817 /nfs/dbraw/zinc/83/88/17/1128838817.db2.gz VBTRZTQSAGCTNR-JTQLQIEISA-N 1 2 340.851 3.860 20 0 EHADLO CC[N@H+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)[C@@H](C)C1 ZINC000672190248 1128838821 /nfs/dbraw/zinc/83/88/21/1128838821.db2.gz VBTRZTQSAGCTNR-JTQLQIEISA-N 1 2 340.851 3.860 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000111311177 1128859140 /nfs/dbraw/zinc/85/91/40/1128859140.db2.gz HXWUUONMGLTGBH-CYBMUJFWSA-N 1 2 330.413 3.604 20 0 EHADLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(-c3ccoc3)no1)CCC2 ZINC000111311177 1128859146 /nfs/dbraw/zinc/85/91/46/1128859146.db2.gz HXWUUONMGLTGBH-CYBMUJFWSA-N 1 2 330.413 3.604 20 0 EHADLO CCCC[N@H+](CC)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000075582359 1128867637 /nfs/dbraw/zinc/86/76/37/1128867637.db2.gz IBSZSHFQNRUMHT-UHFFFAOYSA-N 1 2 331.489 3.890 20 0 EHADLO CCCC[N@@H+](CC)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000075582359 1128867642 /nfs/dbraw/zinc/86/76/42/1128867642.db2.gz IBSZSHFQNRUMHT-UHFFFAOYSA-N 1 2 331.489 3.890 20 0 EHADLO COc1ccccc1C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001670648138 1120095345 /nfs/dbraw/zinc/09/53/45/1120095345.db2.gz BAVNNOCSFZNGDB-AWEZNQCLSA-N 1 2 327.428 3.768 20 0 EHADLO COc1cc2c(c(C[NH2+]Cc3ccn(C4CCCC4)n3)c1)O[C@@H](C)C2 ZINC000129061160 1120140937 /nfs/dbraw/zinc/14/09/37/1120140937.db2.gz PIJBXGCKBMZROZ-AWEZNQCLSA-N 1 2 341.455 3.620 20 0 EHADLO COc1cccc(-c2n[nH]cc2CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000613282996 1120207219 /nfs/dbraw/zinc/20/72/19/1120207219.db2.gz PWXSHUNQYPZLLM-UHFFFAOYSA-N 1 2 345.406 3.883 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000150201226 1120245847 /nfs/dbraw/zinc/24/58/47/1120245847.db2.gz MCMYPLNOXJOXPW-CQSZACIVSA-N 1 2 338.521 3.885 20 0 EHADLO CCN(CC(C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000150201226 1120245853 /nfs/dbraw/zinc/24/58/53/1120245853.db2.gz MCMYPLNOXJOXPW-CQSZACIVSA-N 1 2 338.521 3.885 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000734509162 1131243482 /nfs/dbraw/zinc/24/34/82/1131243482.db2.gz LVGSBACTSFWYEJ-IBGZPJMESA-N 1 2 341.430 3.808 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)CC(C)C)CC2)s1 ZINC001670842219 1120328610 /nfs/dbraw/zinc/32/86/10/1120328610.db2.gz VPDLAZFLSDUDSE-OAHLLOKOSA-N 1 2 337.533 3.572 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000355273376 1128909566 /nfs/dbraw/zinc/90/95/66/1128909566.db2.gz WHHYNNYGZLVIHT-UHFFFAOYSA-N 1 2 325.799 3.671 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000184493213 1120378301 /nfs/dbraw/zinc/37/83/01/1120378301.db2.gz RONYSTWPXZZCCG-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000184493213 1120378306 /nfs/dbraw/zinc/37/83/06/1120378306.db2.gz RONYSTWPXZZCCG-AWEZNQCLSA-N 1 2 338.517 3.994 20 0 EHADLO CC(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000185244309 1120405973 /nfs/dbraw/zinc/40/59/73/1120405973.db2.gz MNIPUXOAGWOTKU-ULQDDVLXSA-N 1 2 332.488 3.917 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000185492974 1120416439 /nfs/dbraw/zinc/41/64/39/1120416439.db2.gz YJWMSKPHPSZRHC-LBPRGKRZSA-N 1 2 336.530 3.780 20 0 EHADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C)ccc1-c1ccccc1 ZINC000186001718 1120439218 /nfs/dbraw/zinc/43/92/18/1120439218.db2.gz NPPMBMIUEVCJMS-UHFFFAOYSA-N 1 2 329.407 3.951 20 0 EHADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(O)cc(F)c1 ZINC000186159467 1120446429 /nfs/dbraw/zinc/44/64/29/1120446429.db2.gz VGLWCWSNAJHUCS-UHFFFAOYSA-N 1 2 330.403 3.690 20 0 EHADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(O)cc(F)c1 ZINC000186159467 1120446431 /nfs/dbraw/zinc/44/64/31/1120446431.db2.gz VGLWCWSNAJHUCS-UHFFFAOYSA-N 1 2 330.403 3.690 20 0 EHADLO Cn1nc(C[NH2+]Cc2cc(F)ccc2Br)c2ccccc21 ZINC000112343250 1128919404 /nfs/dbraw/zinc/91/94/04/1128919404.db2.gz YFRZKMCGIUNNCW-UHFFFAOYSA-N 1 2 348.219 3.765 20 0 EHADLO CC(C)c1ccc(/C=C/CC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000494298341 1120529194 /nfs/dbraw/zinc/52/91/94/1120529194.db2.gz MXTKAVFVKKPPTK-GQCTYLIASA-N 1 2 325.456 3.959 20 0 EHADLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153044445 1120545894 /nfs/dbraw/zinc/54/58/94/1120545894.db2.gz FOKQHWXTTOJLDJ-LBPRGKRZSA-N 1 2 327.340 3.622 20 0 EHADLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153044445 1120545897 /nfs/dbraw/zinc/54/58/97/1120545897.db2.gz FOKQHWXTTOJLDJ-LBPRGKRZSA-N 1 2 327.340 3.622 20 0 EHADLO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494393325 1120554293 /nfs/dbraw/zinc/55/42/93/1120554293.db2.gz OONJQRFPPKDAAA-ZIAGYGMSSA-N 1 2 336.443 3.544 20 0 EHADLO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190446908 1120637810 /nfs/dbraw/zinc/63/78/10/1120637810.db2.gz VLAWXPFTQIJAFO-NSHDSACASA-N 1 2 338.249 3.525 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192637588 1120741623 /nfs/dbraw/zinc/74/16/23/1120741623.db2.gz WANRIMZNAICBFM-OAHLLOKOSA-N 1 2 345.402 3.571 20 0 EHADLO C/C(=C\c1ccccc1)CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000192703902 1120744081 /nfs/dbraw/zinc/74/40/81/1120744081.db2.gz RPQAYKLRWDGTEL-SAPNQHFASA-N 1 2 337.467 3.806 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)c2ccccc21 ZINC000921933982 1128938369 /nfs/dbraw/zinc/93/83/69/1128938369.db2.gz BYOWEVLPYLFKSJ-HNNXBMFYSA-N 1 2 327.428 3.560 20 0 EHADLO FC(F)(F)[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000193110219 1120759169 /nfs/dbraw/zinc/75/91/69/1120759169.db2.gz GHZNTLWBBLXZSZ-NSHDSACASA-N 1 2 327.375 3.979 20 0 EHADLO FC(F)(F)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000193110219 1120759173 /nfs/dbraw/zinc/75/91/73/1120759173.db2.gz GHZNTLWBBLXZSZ-NSHDSACASA-N 1 2 327.375 3.979 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193986327 1120814823 /nfs/dbraw/zinc/81/48/23/1120814823.db2.gz ZPZIVEJBPHDIDX-OAHLLOKOSA-N 1 2 349.413 3.652 20 0 EHADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193986327 1120814825 /nfs/dbraw/zinc/81/48/25/1120814825.db2.gz ZPZIVEJBPHDIDX-OAHLLOKOSA-N 1 2 349.413 3.652 20 0 EHADLO C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194056776 1120819416 /nfs/dbraw/zinc/81/94/16/1120819416.db2.gz XJGPIWFNKQVWBN-APWZRJJASA-N 1 2 340.471 3.557 20 0 EHADLO Fc1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000194159425 1120825591 /nfs/dbraw/zinc/82/55/91/1120825591.db2.gz ARZZJTTXYILTLR-ZTFGCOKTSA-N 1 2 327.403 3.771 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)N[C@@H](C)CCCC(C)C)CCC2)n1 ZINC000494799494 1120836508 /nfs/dbraw/zinc/83/65/08/1120836508.db2.gz JKIZYZXLFQRUEV-AWEZNQCLSA-N 1 2 337.533 3.751 20 0 EHADLO COC(=O)C[C@@H]([NH2+]Cc1noc(C2CCCCC2)n1)C1CCCCC1 ZINC000542531825 1120928858 /nfs/dbraw/zinc/92/88/58/1120928858.db2.gz NCQLOOYMJKPIHC-MRXNPFEDSA-N 1 2 349.475 3.719 20 0 EHADLO Fc1cccc(Cl)c1CN1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495076788 1120946916 /nfs/dbraw/zinc/94/69/16/1120946916.db2.gz BNTYBQYFKGIZMU-NSCUHMNNSA-N 1 2 345.849 3.705 20 0 EHADLO CC(C)CC1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000154502808 1120984504 /nfs/dbraw/zinc/98/45/04/1120984504.db2.gz CYLALBGSCPCWRN-IAGOWNOFSA-N 1 2 332.492 3.692 20 0 EHADLO C[N@H+](Cn1ccn(-c2ccc(Br)cc2)c1=S)C1CC1 ZINC000914784095 1120985106 /nfs/dbraw/zinc/98/51/06/1120985106.db2.gz YHHSUIWXUVLUIY-UHFFFAOYSA-N 1 2 338.274 3.822 20 0 EHADLO C[N@@H+](Cn1ccn(-c2ccc(Br)cc2)c1=S)C1CC1 ZINC000914784095 1120985110 /nfs/dbraw/zinc/98/51/10/1120985110.db2.gz YHHSUIWXUVLUIY-UHFFFAOYSA-N 1 2 338.274 3.822 20 0 EHADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000356214031 1128957770 /nfs/dbraw/zinc/95/77/70/1128957770.db2.gz XDXDNQIOBCNVGU-QZTJIDSGSA-N 1 2 347.503 3.709 20 0 EHADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000356214031 1128957774 /nfs/dbraw/zinc/95/77/74/1128957774.db2.gz XDXDNQIOBCNVGU-QZTJIDSGSA-N 1 2 347.503 3.709 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1ncn(CCc2cccs2)c1=S ZINC000762140203 1121128484 /nfs/dbraw/zinc/12/84/84/1121128484.db2.gz SRFOQIXICZEXND-CQSZACIVSA-N 1 2 348.541 3.940 20 0 EHADLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ncn(CCc2cccs2)c1=S ZINC000762140203 1121128485 /nfs/dbraw/zinc/12/84/85/1121128485.db2.gz SRFOQIXICZEXND-CQSZACIVSA-N 1 2 348.541 3.940 20 0 EHADLO O=C(CC1CCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000303482247 1121152212 /nfs/dbraw/zinc/15/22/12/1121152212.db2.gz KKYCALRMZUUNMD-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO O=C(CC1CCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000303482247 1121152218 /nfs/dbraw/zinc/15/22/18/1121152218.db2.gz KKYCALRMZUUNMD-HNNXBMFYSA-N 1 2 336.426 3.626 20 0 EHADLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C[C@H](C)O1 ZINC000303520063 1121155363 /nfs/dbraw/zinc/15/53/63/1121155363.db2.gz YUVXDZAUGJWYAM-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C[C@H](C)O1 ZINC000303520063 1121155365 /nfs/dbraw/zinc/15/53/65/1121155365.db2.gz YUVXDZAUGJWYAM-XYJFISCASA-N 1 2 340.467 3.516 20 0 EHADLO C[C@H]1C[N@H+](CCOc2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000303917764 1121194470 /nfs/dbraw/zinc/19/44/70/1121194470.db2.gz OAOSKZWJSZDTDQ-IFXJQAMLSA-N 1 2 333.378 3.806 20 0 EHADLO C[C@H]1C[N@@H+](CCOc2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000303917764 1121194474 /nfs/dbraw/zinc/19/44/74/1121194474.db2.gz OAOSKZWJSZDTDQ-IFXJQAMLSA-N 1 2 333.378 3.806 20 0 EHADLO CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000915209021 1121253884 /nfs/dbraw/zinc/25/38/84/1121253884.db2.gz WDEJMJYWTBDIQY-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000915209021 1121253889 /nfs/dbraw/zinc/25/38/89/1121253889.db2.gz WDEJMJYWTBDIQY-UHFFFAOYSA-N 1 2 343.500 3.860 20 0 EHADLO COc1ccccc1[C@H]1CC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153519155 1121260487 /nfs/dbraw/zinc/26/04/87/1121260487.db2.gz XXDXOKATBZCXMZ-AWEZNQCLSA-N 1 2 344.484 3.513 20 0 EHADLO COc1ccccc1[C@H]1CC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000153519155 1121260489 /nfs/dbraw/zinc/26/04/89/1121260489.db2.gz XXDXOKATBZCXMZ-AWEZNQCLSA-N 1 2 344.484 3.513 20 0 EHADLO C[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C[C@@H]1CCCO1 ZINC000338780435 1128976785 /nfs/dbraw/zinc/97/67/85/1128976785.db2.gz CMIXXWOXVDCTIK-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO C[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C[C@@H]1CCCO1 ZINC000338780435 1128976789 /nfs/dbraw/zinc/97/67/89/1128976789.db2.gz CMIXXWOXVDCTIK-JTQLQIEISA-N 1 2 342.226 3.654 20 0 EHADLO CN(C)c1cc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc[nH+]1 ZINC000762469554 1121315213 /nfs/dbraw/zinc/31/52/13/1121315213.db2.gz OOAHOSIAVHRUFP-UHFFFAOYSA-N 1 2 345.859 3.878 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)s1 ZINC000193470509 1121338699 /nfs/dbraw/zinc/33/86/99/1121338699.db2.gz LQVYSRJEZJKRCK-UONOGXRCSA-N 1 2 343.496 3.640 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)s1 ZINC000193470509 1121338709 /nfs/dbraw/zinc/33/87/09/1121338709.db2.gz LQVYSRJEZJKRCK-UONOGXRCSA-N 1 2 343.496 3.640 20 0 EHADLO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762563947 1121355900 /nfs/dbraw/zinc/35/59/00/1121355900.db2.gz YRXWOJOGBBMWKU-FDMDGMSGSA-N 1 2 349.434 3.841 20 0 EHADLO Cn1c(=S)n(C[NH+]2CCC3(CCCC3)CC2)nc1-c1ccncc1 ZINC000153588054 1121371527 /nfs/dbraw/zinc/37/15/27/1121371527.db2.gz CFFVIAUTPVPUGC-UHFFFAOYSA-N 1 2 343.500 3.627 20 0 EHADLO COc1ccccc1C[NH+]1CCN([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168492764 1121395714 /nfs/dbraw/zinc/39/57/14/1121395714.db2.gz WXLKVQZHRVCJNK-KRWDZBQOSA-N 1 2 342.458 3.583 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnc(C(C)C)s1)c1nnc2n1CCCCC2 ZINC001649015422 1121439975 /nfs/dbraw/zinc/43/99/75/1121439975.db2.gz PIRFLTALDGDSTL-CQSZACIVSA-N 1 2 333.505 3.825 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc(C)[nH+]c2C)c(OC)c1 ZINC001212459764 1128998094 /nfs/dbraw/zinc/99/80/94/1128998094.db2.gz LRUXYXIPMDPFIM-UHFFFAOYSA-N 1 2 327.428 3.933 20 0 EHADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000018939043 1121660854 /nfs/dbraw/zinc/66/08/54/1121660854.db2.gz KHKTXTRCTSKNHG-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000018939043 1121660858 /nfs/dbraw/zinc/66/08/58/1121660858.db2.gz KHKTXTRCTSKNHG-NSHDSACASA-N 1 2 340.851 3.850 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1c2ccccc2nc2c1CCCCC2 ZINC000763110396 1121683461 /nfs/dbraw/zinc/68/34/61/1121683461.db2.gz WPLNYYPAHMTTFD-UHFFFAOYSA-N 1 2 335.407 3.557 20 0 EHADLO CC[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370837 1121709362 /nfs/dbraw/zinc/70/93/62/1121709362.db2.gz NKBBBGFLFBJBQB-SWLSCSKDSA-N 1 2 341.858 3.714 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000055054283 1121792689 /nfs/dbraw/zinc/79/26/89/1121792689.db2.gz BGQZYFMHHOIKKQ-IBGZPJMESA-N 1 2 332.419 3.672 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000055054283 1121792694 /nfs/dbraw/zinc/79/26/94/1121792694.db2.gz BGQZYFMHHOIKKQ-IBGZPJMESA-N 1 2 332.419 3.672 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000055695778 1121858322 /nfs/dbraw/zinc/85/83/22/1121858322.db2.gz IFYBQXFJCPJMAC-UHFFFAOYSA-N 1 2 335.451 3.705 20 0 EHADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2n1 ZINC000055695896 1121858429 /nfs/dbraw/zinc/85/84/29/1121858429.db2.gz PIFOFOBNFIXTBT-UHFFFAOYSA-N 1 2 342.402 3.659 20 0 EHADLO O=C(N1CC[NH+](C/C=C/c2ccccc2)CC1)C1(c2ccccc2)CC1 ZINC000253462647 1121913057 /nfs/dbraw/zinc/91/30/57/1121913057.db2.gz YJUXQJMRABLZMY-JXMROGBWSA-N 1 2 346.474 3.576 20 0 EHADLO Cn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccc1Cl ZINC000763335671 1121967665 /nfs/dbraw/zinc/96/76/65/1121967665.db2.gz XFWFBHUXZSBWDB-ZDUSSCGKSA-N 1 2 348.903 3.961 20 0 EHADLO Cn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccc1Cl ZINC000763335671 1121967667 /nfs/dbraw/zinc/96/76/67/1121967667.db2.gz XFWFBHUXZSBWDB-ZDUSSCGKSA-N 1 2 348.903 3.961 20 0 EHADLO O=C(NC(C1CCC1)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000672580726 1129023006 /nfs/dbraw/zinc/02/30/06/1129023006.db2.gz WCVBKEXYTOMOHT-UHFFFAOYSA-N 1 2 347.528 3.544 20 0 EHADLO CCCC[C@@H](CC)CNC(=S)NC1CCN(c2cccc[nH+]2)CC1 ZINC000916001738 1122017332 /nfs/dbraw/zinc/01/73/32/1122017332.db2.gz GBZDPNTVWBZNAT-MRXNPFEDSA-N 1 2 348.560 3.731 20 0 EHADLO COc1ccccc1CNc1[nH+]cccc1CNC(=O)OC(C)(C)C ZINC000496292103 1122046291 /nfs/dbraw/zinc/04/62/91/1122046291.db2.gz HRXSBBYDYXPAPF-UHFFFAOYSA-N 1 2 343.427 3.727 20 0 EHADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000916152361 1122082430 /nfs/dbraw/zinc/08/24/30/1122082430.db2.gz PUWOPVABQCIUJE-AWEZNQCLSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000916152361 1122082438 /nfs/dbraw/zinc/08/24/38/1122082438.db2.gz PUWOPVABQCIUJE-AWEZNQCLSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(COC(C)(C)C)on3)ccc2O1 ZINC000922018851 1129032434 /nfs/dbraw/zinc/03/24/34/1129032434.db2.gz WAJMUEHMOSHQEF-CYBMUJFWSA-N 1 2 330.428 3.603 20 0 EHADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000496652974 1122147552 /nfs/dbraw/zinc/14/75/52/1122147552.db2.gz ZBSVKEAGTJPSPZ-UHFFFAOYSA-N 1 2 347.459 3.622 20 0 EHADLO Cc1cc2cc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2[nH]1 ZINC000916464975 1122161779 /nfs/dbraw/zinc/16/17/79/1122161779.db2.gz ORGPYVJQJAXWKI-KRWDZBQOSA-N 1 2 339.443 3.909 20 0 EHADLO COc1ccc[nH+]c1NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000496774394 1122175681 /nfs/dbraw/zinc/17/56/81/1122175681.db2.gz RGOIEYFYTREDLO-UHFFFAOYSA-N 1 2 336.417 3.506 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccccn1 ZINC000125337142 1122313070 /nfs/dbraw/zinc/31/30/70/1122313070.db2.gz MLWKMCRMGPWHMS-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccccn1 ZINC000125337142 1122313087 /nfs/dbraw/zinc/31/30/87/1122313087.db2.gz MLWKMCRMGPWHMS-KRWDZBQOSA-N 1 2 347.462 3.934 20 0 EHADLO C[C@@H]1CC2(CN1c1cccc[nH+]1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000497231182 1122388820 /nfs/dbraw/zinc/38/88/20/1122388820.db2.gz YQVIWBHRJQXYHB-OAHLLOKOSA-N 1 2 331.460 3.698 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@H]2C[C@H]21 ZINC000672710054 1129053964 /nfs/dbraw/zinc/05/39/64/1129053964.db2.gz PRWUSCBWFZYWKL-KBXCAEBGSA-N 1 2 334.423 3.618 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564021 1122474641 /nfs/dbraw/zinc/47/46/41/1122474641.db2.gz AQUBPUVUXCNKJF-NVXWUHKLSA-N 1 2 345.512 3.929 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000066564021 1122474644 /nfs/dbraw/zinc/47/46/44/1122474644.db2.gz AQUBPUVUXCNKJF-NVXWUHKLSA-N 1 2 345.512 3.929 20 0 EHADLO CC(C)Oc1cc(F)c(F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001212222100 1122487907 /nfs/dbraw/zinc/48/79/07/1122487907.db2.gz GPFSDVLWDSJIES-UHFFFAOYSA-N 1 2 349.381 3.727 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000065515609 1129058158 /nfs/dbraw/zinc/05/81/58/1129058158.db2.gz UNWWPCCXLNLNJV-UHFFFAOYSA-N 1 2 348.859 3.803 20 0 EHADLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127666809 1122500416 /nfs/dbraw/zinc/50/04/16/1122500416.db2.gz VOUWXJXRXURPHU-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127666809 1122500419 /nfs/dbraw/zinc/50/04/19/1122500419.db2.gz VOUWXJXRXURPHU-SFHVURJKSA-N 1 2 349.377 3.870 20 0 EHADLO Clc1cc(Cl)cc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000917395377 1122591960 /nfs/dbraw/zinc/59/19/60/1122591960.db2.gz KNXCAWCVPDWMMI-UHFFFAOYSA-N 1 2 333.222 3.864 20 0 EHADLO CCC1CCC([N@H+](Cn2nc(-c3cccs3)oc2=O)C2CC2)CC1 ZINC000917440022 1122603015 /nfs/dbraw/zinc/60/30/15/1122603015.db2.gz KXWTYWDIJXGWEP-UHFFFAOYSA-N 1 2 347.484 3.956 20 0 EHADLO CCC1CCC([N@@H+](Cn2nc(-c3cccs3)oc2=O)C2CC2)CC1 ZINC000917440022 1122603018 /nfs/dbraw/zinc/60/30/18/1122603018.db2.gz KXWTYWDIJXGWEP-UHFFFAOYSA-N 1 2 347.484 3.956 20 0 EHADLO Cn1c2ccccc2n(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1=O ZINC000917482982 1122614253 /nfs/dbraw/zinc/61/42/53/1122614253.db2.gz NQXZQOJBWZDQKA-INIZCTEOSA-N 1 2 341.842 3.788 20 0 EHADLO Cn1c2ccccc2n(C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1=O ZINC000917482982 1122614254 /nfs/dbraw/zinc/61/42/54/1122614254.db2.gz NQXZQOJBWZDQKA-INIZCTEOSA-N 1 2 341.842 3.788 20 0 EHADLO CSC[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171812552 1122625942 /nfs/dbraw/zinc/62/59/42/1122625942.db2.gz ZBASHGGVGJFEMD-ZDUSSCGKSA-N 1 2 329.469 3.824 20 0 EHADLO CO[C@H](C)C(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000917576997 1122642522 /nfs/dbraw/zinc/64/25/22/1122642522.db2.gz OZXYJYASWMVUQP-QMTHXVAHSA-N 1 2 343.210 3.509 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069067672 1122750013 /nfs/dbraw/zinc/75/00/13/1122750013.db2.gz XNZVSCZXUGZVQV-IFXJQAMLSA-N 1 2 332.419 3.925 20 0 EHADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069067672 1122750016 /nfs/dbraw/zinc/75/00/16/1122750016.db2.gz XNZVSCZXUGZVQV-IFXJQAMLSA-N 1 2 332.419 3.925 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067020 1122750242 /nfs/dbraw/zinc/75/02/42/1122750242.db2.gz GVRCEKVIUSYENR-VBKZILBWSA-N 1 2 342.439 3.549 20 0 EHADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)C2CC2)cc1 ZINC000069067020 1122750246 /nfs/dbraw/zinc/75/02/46/1122750246.db2.gz GVRCEKVIUSYENR-VBKZILBWSA-N 1 2 342.439 3.549 20 0 EHADLO C[C@H]1CCC[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000498334385 1122870038 /nfs/dbraw/zinc/87/00/38/1122870038.db2.gz ISXPFADJMVUZHU-DLBZAZTESA-N 1 2 325.456 3.878 20 0 EHADLO Cc1ccsc1CCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130139281 1122895967 /nfs/dbraw/zinc/89/59/67/1122895967.db2.gz PAVIZLFPQAEAEE-GOEBONIOSA-N 1 2 331.485 3.685 20 0 EHADLO CCOc1ccc(C[C@H](C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC001127450981 1122935779 /nfs/dbraw/zinc/93/57/79/1122935779.db2.gz LSMRBOSGSGQRNQ-AWEZNQCLSA-N 1 2 341.455 3.672 20 0 EHADLO Cc1ccc(NC(=O)Cc2csc(C3CCCC3)n2)c(N(C)C)[nH+]1 ZINC001127451351 1122936291 /nfs/dbraw/zinc/93/62/91/1122936291.db2.gz UROYGEWAPPLPRI-UHFFFAOYSA-N 1 2 344.484 3.751 20 0 EHADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000445009081 1122954456 /nfs/dbraw/zinc/95/44/56/1122954456.db2.gz CEHDFFJRJUPZOD-ULQDDVLXSA-N 1 2 332.492 3.524 20 0 EHADLO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH+]1CCN(c2ncccn2)CC1 ZINC000130654985 1122981266 /nfs/dbraw/zinc/98/12/66/1122981266.db2.gz FBIRLHJNJOPTPL-MRXNPFEDSA-N 1 2 349.265 3.593 20 0 EHADLO CC[C@@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000078026982 1129091905 /nfs/dbraw/zinc/09/19/05/1129091905.db2.gz MRHFSCXLANCMAJ-SFHVURJKSA-N 1 2 337.467 3.623 20 0 EHADLO CCC(CC)(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000152622492 1123041374 /nfs/dbraw/zinc/04/13/74/1123041374.db2.gz UXWKSNDJLAAZIN-SFHVURJKSA-N 1 2 337.467 3.535 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000556620464 1123063340 /nfs/dbraw/zinc/06/33/40/1123063340.db2.gz HVDCEBZCIADGPA-OALUTQOASA-N 1 2 348.450 3.717 20 0 EHADLO Cc1cn2cc(NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)ccc2[nH+]1 ZINC000556817789 1123138361 /nfs/dbraw/zinc/13/83/61/1123138361.db2.gz PGADMKNFZANDLD-MRXNPFEDSA-N 1 2 335.407 3.926 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc2ccccc2n1 ZINC000556860765 1123156153 /nfs/dbraw/zinc/15/61/53/1123156153.db2.gz UQVMENIHHCOTND-QAQDUYKDSA-N 1 2 346.434 3.783 20 0 EHADLO COc1c(C)c[nH+]c(CSc2cc(C(F)(F)F)ncn2)c1C ZINC000919814269 1123157277 /nfs/dbraw/zinc/15/72/77/1123157277.db2.gz VPRRVWJAOQSVJK-UHFFFAOYSA-N 1 2 329.347 3.808 20 0 EHADLO C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000556890938 1123176309 /nfs/dbraw/zinc/17/63/09/1123176309.db2.gz UKONAGYOZWEDPH-AWEZNQCLSA-N 1 2 328.366 3.710 20 0 EHADLO CCC[C@]1(C)CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000466020191 1129104959 /nfs/dbraw/zinc/10/49/59/1129104959.db2.gz RSPBSYXCVRVIKD-HXUWFJFHSA-N 1 2 340.471 3.984 20 0 EHADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000078188485 1129114080 /nfs/dbraw/zinc/11/40/80/1129114080.db2.gz VPJUWPBBRHWNHG-UHFFFAOYSA-N 1 2 341.333 3.552 20 0 EHADLO COc1ccc(CCC2CC[NH+](Cn3cc(Cl)cn3)CC2)cc1 ZINC000920255914 1123344251 /nfs/dbraw/zinc/34/42/51/1123344251.db2.gz LAALDIPVMNHOAU-UHFFFAOYSA-N 1 2 333.863 3.847 20 0 EHADLO C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000920245356 1123347518 /nfs/dbraw/zinc/34/75/18/1123347518.db2.gz QGVHHORDNKTFSV-OAHLLOKOSA-N 1 2 330.476 3.636 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827403 1123374033 /nfs/dbraw/zinc/37/40/33/1123374033.db2.gz HQTUUDDRWWKLOS-KBPBESRZSA-N 1 2 335.473 3.824 20 0 EHADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000428827403 1123374036 /nfs/dbraw/zinc/37/40/36/1123374036.db2.gz HQTUUDDRWWKLOS-KBPBESRZSA-N 1 2 335.473 3.824 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000075618151 1123408202 /nfs/dbraw/zinc/40/82/02/1123408202.db2.gz JKRYRPKROYFFEI-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000075618151 1123408206 /nfs/dbraw/zinc/40/82/06/1123408206.db2.gz JKRYRPKROYFFEI-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]1(C)CC ZINC000133744842 1123428159 /nfs/dbraw/zinc/42/81/59/1123428159.db2.gz HCRYGUUPXPSALS-YLJYHZDGSA-N 1 2 329.488 3.583 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921150436 1123472349 /nfs/dbraw/zinc/47/23/49/1123472349.db2.gz UDKHPNWLQGYKMX-HNNXBMFYSA-N 1 2 337.398 3.506 20 0 EHADLO c1cn(-c2ccccc2-c2noc([C@@H]3CCNc4ccccc43)n2)c[nH+]1 ZINC001212252104 1123476434 /nfs/dbraw/zinc/47/64/34/1123476434.db2.gz HSPOCEQFJGPIOM-OAHLLOKOSA-N 1 2 343.390 3.870 20 0 EHADLO Clc1ccc(C[N@H+](Cn2cc(Br)cn2)C2CC2)cc1 ZINC000921186826 1123480815 /nfs/dbraw/zinc/48/08/15/1123480815.db2.gz OOLZVGGSITYMKL-UHFFFAOYSA-N 1 2 340.652 3.921 20 0 EHADLO Clc1ccc(C[N@@H+](Cn2cc(Br)cn2)C2CC2)cc1 ZINC000921186826 1123480820 /nfs/dbraw/zinc/48/08/20/1123480820.db2.gz OOLZVGGSITYMKL-UHFFFAOYSA-N 1 2 340.652 3.921 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccnc2ccccc21 ZINC000079256067 1123681704 /nfs/dbraw/zinc/68/17/04/1123681704.db2.gz JYSJHSVSXATYMV-UHFFFAOYSA-N 1 2 346.434 3.550 20 0 EHADLO O=C(CCOc1ccccc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080442051 1123753834 /nfs/dbraw/zinc/75/38/34/1123753834.db2.gz BEFWLPZASKKAJK-UHFFFAOYSA-N 1 2 343.333 3.558 20 0 EHADLO OC1CC[NH+](c2ccc(N[C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000282331085 1129143576 /nfs/dbraw/zinc/14/35/76/1129143576.db2.gz ODRYUHPPAOUHHF-INIZCTEOSA-N 1 2 347.462 3.708 20 0 EHADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)[C@H]1c1ccccc1 ZINC000245433539 1123825629 /nfs/dbraw/zinc/82/56/29/1123825629.db2.gz PHVDHMLRCKJCFD-FZKQIMNGSA-N 1 2 346.377 3.920 20 0 EHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)[C@H]1c1ccccc1 ZINC000245433539 1123825634 /nfs/dbraw/zinc/82/56/34/1123825634.db2.gz PHVDHMLRCKJCFD-FZKQIMNGSA-N 1 2 346.377 3.920 20 0 EHADLO CCCCOc1ccccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000615573625 1123829776 /nfs/dbraw/zinc/82/97/76/1123829776.db2.gz UPIBGWNSSVTRFO-UHFFFAOYSA-N 1 2 342.443 3.884 20 0 EHADLO Cc1cc(Br)cc(C[N@H+](C)Cc2cscn2)c1O ZINC000179865349 1123877840 /nfs/dbraw/zinc/87/78/40/1123877840.db2.gz CRNZLBJMJLRZMY-UHFFFAOYSA-N 1 2 327.247 3.552 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+](C)Cc2cscn2)c1O ZINC000179865349 1123877849 /nfs/dbraw/zinc/87/78/49/1123877849.db2.gz CRNZLBJMJLRZMY-UHFFFAOYSA-N 1 2 327.247 3.552 20 0 EHADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000616026347 1123928048 /nfs/dbraw/zinc/92/80/48/1123928048.db2.gz RPWCQGZFRFRSSO-UHFFFAOYSA-N 1 2 349.482 3.671 20 0 EHADLO CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)(C)C ZINC000543045202 1129156314 /nfs/dbraw/zinc/15/63/14/1129156314.db2.gz JJHUIMKKKYOXPJ-KRWDZBQOSA-N 1 2 334.508 3.910 20 0 EHADLO CC(C)COc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001212284037 1124015608 /nfs/dbraw/zinc/01/56/08/1124015608.db2.gz WLYNQWFEFAMKDV-UHFFFAOYSA-N 1 2 327.428 3.697 20 0 EHADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000247251972 1124600097 /nfs/dbraw/zinc/60/00/97/1124600097.db2.gz DXWRPWLRGKRMGP-IUODEOHRSA-N 1 2 326.893 3.740 20 0 EHADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000247251972 1124600103 /nfs/dbraw/zinc/60/01/03/1124600103.db2.gz DXWRPWLRGKRMGP-IUODEOHRSA-N 1 2 326.893 3.740 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617515652 1124621816 /nfs/dbraw/zinc/62/18/16/1124621816.db2.gz INRHKEZNYCLWJK-GOSISDBHSA-N 1 2 331.847 3.538 20 0 EHADLO Cc1cccc(C[NH+](CCOC(C)(C)C)Cc2cccc(C)n2)n1 ZINC000085904965 1124649708 /nfs/dbraw/zinc/64/97/08/1124649708.db2.gz KKJQFSZCKUBBMK-UHFFFAOYSA-N 1 2 327.472 3.911 20 0 EHADLO Cc1cccc(OCCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069389668 1124742537 /nfs/dbraw/zinc/74/25/37/1124742537.db2.gz VELMAOOPOYVIQC-UHFFFAOYSA-N 1 2 349.434 3.656 20 0 EHADLO Cc1cc(Br)cc(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000354421720 1124893298 /nfs/dbraw/zinc/89/32/98/1124893298.db2.gz QZGSFHFZSJWTLT-UHFFFAOYSA-N 1 2 336.233 3.681 20 0 EHADLO CC[N@H+](CC(=O)NCC[C@@]1(C)CC1(F)F)Cc1ccccc1Cl ZINC000618637059 1125141970 /nfs/dbraw/zinc/14/19/70/1125141970.db2.gz ZKQSKMNQABOHMX-INIZCTEOSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NCC[C@@]1(C)CC1(F)F)Cc1ccccc1Cl ZINC000618637059 1125141973 /nfs/dbraw/zinc/14/19/73/1125141973.db2.gz ZKQSKMNQABOHMX-INIZCTEOSA-N 1 2 344.833 3.714 20 0 EHADLO CC[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000735386833 1131338601 /nfs/dbraw/zinc/33/86/01/1131338601.db2.gz WKMAAGHBXQUPJH-INIZCTEOSA-N 1 2 326.444 3.594 20 0 EHADLO CSCCCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000182342309 1125261220 /nfs/dbraw/zinc/26/12/20/1125261220.db2.gz WSJSBTHUGDETPO-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO C[C@H](C[NH+]1CCOCC1)N(C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000763532159 1125325986 /nfs/dbraw/zinc/32/59/86/1125325986.db2.gz FMXJQCSCVVATDQ-QAEAHILHSA-N 1 2 343.298 3.528 20 0 EHADLO Cc1cc(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)nc(C)[nH+]1 ZINC000182674859 1125351045 /nfs/dbraw/zinc/35/10/45/1125351045.db2.gz IHQHIAUQLOXEDP-UHFFFAOYSA-N 1 2 344.724 3.523 20 0 EHADLO O=C(/C=C\c1cccc2ccccc12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000254995308 1125359825 /nfs/dbraw/zinc/35/98/25/1125359825.db2.gz ZVKJRAJOZYQPGL-OEIFXAAASA-N 1 2 331.419 3.741 20 0 EHADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)nc(N)c2c1C ZINC000152743938 1125373941 /nfs/dbraw/zinc/37/39/41/1125373941.db2.gz GNGOHUZGAYCJDQ-JTQLQIEISA-N 1 2 330.819 3.926 20 0 EHADLO Cc1n[nH]c(C)c1CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000152875975 1125391316 /nfs/dbraw/zinc/39/13/16/1125391316.db2.gz LYAOWRWCTBMLKO-HNNXBMFYSA-N 1 2 332.879 3.559 20 0 EHADLO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000649700680 1125403382 /nfs/dbraw/zinc/40/33/82/1125403382.db2.gz KBBXILQLAZGBIM-NVXWUHKLSA-N 1 2 329.444 3.611 20 0 EHADLO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000649700680 1125403385 /nfs/dbraw/zinc/40/33/85/1125403385.db2.gz KBBXILQLAZGBIM-NVXWUHKLSA-N 1 2 329.444 3.611 20 0 EHADLO C[C@@H](CC1CCCCC1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000572569084 1125455488 /nfs/dbraw/zinc/45/54/88/1125455488.db2.gz RJVYXOHMFLXHCE-KRWDZBQOSA-N 1 2 339.483 3.949 20 0 EHADLO c1cn2c(cccc2CNc2cccnc2OCc2ccccc2)[nH+]1 ZINC000682158715 1129209961 /nfs/dbraw/zinc/20/99/61/1129209961.db2.gz HTXHSSHOTLGJEC-UHFFFAOYSA-N 1 2 330.391 3.920 20 0 EHADLO Cn1c[nH+]cc1CNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000357607078 1129283750 /nfs/dbraw/zinc/28/37/50/1129283750.db2.gz JPQRAPLIIOCYKW-UHFFFAOYSA-N 1 2 339.399 3.843 20 0 EHADLO Cc1cc(N2CCC[C@H](O)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000338829089 1129357775 /nfs/dbraw/zinc/35/77/75/1129357775.db2.gz JYQLRRBQQMOWGH-LBPRGKRZSA-N 1 2 340.345 3.793 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420083 1129369111 /nfs/dbraw/zinc/36/91/11/1129369111.db2.gz ZTGPGUYIGFRQEY-UHFFFAOYSA-N 1 2 325.456 3.676 20 0 EHADLO COc1ccccc1[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000068803866 1129400049 /nfs/dbraw/zinc/40/00/49/1129400049.db2.gz MEWYNSJUHDZTPX-SFHVURJKSA-N 1 2 349.434 3.558 20 0 EHADLO Cc1cccn2c(CNc3cc(-c4ccnn4C)ccc3C)c[nH+]c12 ZINC000466403766 1129426609 /nfs/dbraw/zinc/42/66/09/1129426609.db2.gz JAAFNWBPUCDVOP-UHFFFAOYSA-N 1 2 331.423 3.964 20 0 EHADLO O=C(CCCC1CCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471587 1129445155 /nfs/dbraw/zinc/44/51/55/1129445155.db2.gz CAMLVZXBGBXCRB-UHFFFAOYSA-N 1 2 349.544 3.968 20 0 EHADLO OC[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)c1ccc(Cl)cc1 ZINC000673477031 1129452612 /nfs/dbraw/zinc/45/26/12/1129452612.db2.gz QIXKXNQVMKHKLT-LLVKDONJSA-N 1 2 330.737 3.942 20 0 EHADLO Fc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccn2)cc1 ZINC000543408142 1129468312 /nfs/dbraw/zinc/46/83/12/1129468312.db2.gz WVAOFUCWWGCEFG-FQEVSTJZSA-N 1 2 336.366 3.829 20 0 EHADLO COCCn1c2ccccc2[nH+]c1NCc1nc(C(C)(C)C)co1 ZINC000922328620 1129469814 /nfs/dbraw/zinc/46/98/14/1129469814.db2.gz GAFLLJBXHRJUQK-UHFFFAOYSA-N 1 2 328.416 3.580 20 0 EHADLO O=C(CCc1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000347716027 1129494470 /nfs/dbraw/zinc/49/44/70/1129494470.db2.gz WITHUHJIDPVMFO-UHFFFAOYSA-N 1 2 335.407 3.533 20 0 EHADLO C[C@@H]1SCC[N@H+](CC(=O)NCc2cccs2)[C@@H]1c1ccccc1 ZINC000118421065 1129508336 /nfs/dbraw/zinc/50/83/36/1129508336.db2.gz QEASPOVTQXASQM-KSSFIOAISA-N 1 2 346.521 3.543 20 0 EHADLO C[C@@H]1SCC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1c1ccccc1 ZINC000118421065 1129508339 /nfs/dbraw/zinc/50/83/39/1129508339.db2.gz QEASPOVTQXASQM-KSSFIOAISA-N 1 2 346.521 3.543 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000154392939 1129555161 /nfs/dbraw/zinc/55/51/61/1129555161.db2.gz BOBKTIJDVHSCNB-HNNXBMFYSA-N 1 2 331.456 3.620 20 0 EHADLO Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000922522683 1129562159 /nfs/dbraw/zinc/56/21/59/1129562159.db2.gz WQVGXRJDVYGOOI-KXBFYZLASA-N 1 2 341.386 3.550 20 0 EHADLO Cc1noc(CCC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000347724176 1129583970 /nfs/dbraw/zinc/58/39/70/1129583970.db2.gz HDUZSAHDUTVOFJ-OAHLLOKOSA-N 1 2 345.834 3.677 20 0 EHADLO Cc1noc(CCC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000347724176 1129583974 /nfs/dbraw/zinc/58/39/74/1129583974.db2.gz HDUZSAHDUTVOFJ-OAHLLOKOSA-N 1 2 345.834 3.677 20 0 EHADLO COc1ccc([C@@H]([NH2+]Cc2cn(C(C)C)nn2)c2ccccc2)cc1 ZINC000673599642 1129603429 /nfs/dbraw/zinc/60/34/29/1129603429.db2.gz VEYNGAOXSUYSKM-FQEVSTJZSA-N 1 2 336.439 3.747 20 0 EHADLO C[C@H]([NH2+]Cc1cc(Cl)ccc1OC1CCCC1)c1cn(C)nn1 ZINC000922634953 1129608972 /nfs/dbraw/zinc/60/89/72/1129608972.db2.gz LJAWDOIBXZJHND-LBPRGKRZSA-N 1 2 334.851 3.641 20 0 EHADLO C[C@H]1Cc2cc(C[NH2+]Cc3ncc(C(F)(F)F)s3)ccc2O1 ZINC000922702188 1129636456 /nfs/dbraw/zinc/63/64/56/1129636456.db2.gz XGXKXCFUGMOGKX-VIFPVBQESA-N 1 2 328.359 3.775 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)ncn1 ZINC000428976035 1129655364 /nfs/dbraw/zinc/65/53/64/1129655364.db2.gz JAFDRKFRLHRHDK-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)ncn1 ZINC000428976035 1129655365 /nfs/dbraw/zinc/65/53/65/1129655365.db2.gz JAFDRKFRLHRHDK-INIZCTEOSA-N 1 2 339.336 3.875 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000509022910 1129662484 /nfs/dbraw/zinc/66/24/84/1129662484.db2.gz SNAHOZJXNWYUBN-VFNNOXKTSA-N 1 2 346.452 3.981 20 0 EHADLO COC(=O)c1cnoc1C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000509022910 1129662488 /nfs/dbraw/zinc/66/24/88/1129662488.db2.gz SNAHOZJXNWYUBN-VFNNOXKTSA-N 1 2 346.452 3.981 20 0 EHADLO COc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000922784425 1129662595 /nfs/dbraw/zinc/66/25/95/1129662595.db2.gz ZUOIZGCHPRVJCG-HNNXBMFYSA-N 1 2 327.428 3.576 20 0 EHADLO CCC1(CC)C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[S@]1=O ZINC000347755076 1129689494 /nfs/dbraw/zinc/68/94/94/1129689494.db2.gz NJHGDVLOYHBRQG-HSZRJFAPSA-N 1 2 349.418 3.708 20 0 EHADLO CCC1(CC)C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[S@]1=O ZINC000347755076 1129689495 /nfs/dbraw/zinc/68/94/95/1129689495.db2.gz NJHGDVLOYHBRQG-HSZRJFAPSA-N 1 2 349.418 3.708 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000338885734 1129696073 /nfs/dbraw/zinc/69/60/73/1129696073.db2.gz BDYPWUJPKUUATI-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000338885734 1129696075 /nfs/dbraw/zinc/69/60/75/1129696075.db2.gz BDYPWUJPKUUATI-LIRRHRJNSA-N 1 2 344.405 3.759 20 0 EHADLO O=C(CCc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282408974 1129716628 /nfs/dbraw/zinc/71/66/28/1129716628.db2.gz SMJLEBTVZLUWLK-SFHVURJKSA-N 1 2 337.467 3.558 20 0 EHADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000625120483 1129738442 /nfs/dbraw/zinc/73/84/42/1129738442.db2.gz URMNFHHCSXIZPV-IEBWSBKVSA-N 1 2 341.455 3.937 20 0 EHADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000625120483 1129738443 /nfs/dbraw/zinc/73/84/43/1129738443.db2.gz URMNFHHCSXIZPV-IEBWSBKVSA-N 1 2 341.455 3.937 20 0 EHADLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccncc1Br)C2 ZINC000625137054 1129744948 /nfs/dbraw/zinc/74/49/48/1129744948.db2.gz XHRZQUOFDYFTDK-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO COc1ccc2c(c1)CCC[N@H+](Cc1ccncc1Br)C2 ZINC000625137054 1129744950 /nfs/dbraw/zinc/74/49/50/1129744950.db2.gz XHRZQUOFDYFTDK-UHFFFAOYSA-N 1 2 347.256 3.801 20 0 EHADLO O=C(NCCc1[nH]cc[nH+]1)c1sc2cccc(Cl)c2c1Cl ZINC000673666642 1129788057 /nfs/dbraw/zinc/78/80/57/1129788057.db2.gz URZMILAJIBVDLL-UHFFFAOYSA-N 1 2 340.235 3.904 20 0 EHADLO COc1cc(C[N@H+](Cc2cc(O)ccc2Cl)C2CC2)ccc1O ZINC000625268954 1129792866 /nfs/dbraw/zinc/79/28/66/1129792866.db2.gz HNDCRGWQQWDYMH-UHFFFAOYSA-N 1 2 333.815 3.924 20 0 EHADLO COc1cc(C[N@@H+](Cc2cc(O)ccc2Cl)C2CC2)ccc1O ZINC000625268954 1129792868 /nfs/dbraw/zinc/79/28/68/1129792868.db2.gz HNDCRGWQQWDYMH-UHFFFAOYSA-N 1 2 333.815 3.924 20 0 EHADLO Cc1cccn2cc(CCNC(=O)CC(C)(C)c3ccccc3)[nH+]c12 ZINC000673727291 1129813155 /nfs/dbraw/zinc/81/31/55/1129813155.db2.gz XQYNAJFVOCSDQQ-UHFFFAOYSA-N 1 2 335.451 3.669 20 0 EHADLO Cc1cccn2cc(CCNC(=O)Cc3ccc4ccccc4c3)[nH+]c12 ZINC000673727027 1129813299 /nfs/dbraw/zinc/81/32/99/1129813299.db2.gz QFLLUUPDHOUSSM-UHFFFAOYSA-N 1 2 343.430 3.697 20 0 EHADLO Cc1cccn2cc(CCNC(=O)c3cc4c(ccc(C)c4C)[nH]3)[nH+]c12 ZINC000673747770 1129826757 /nfs/dbraw/zinc/82/67/57/1129826757.db2.gz YHSOYVKAMGIRLO-UHFFFAOYSA-N 1 2 346.434 3.713 20 0 EHADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000673754841 1129831023 /nfs/dbraw/zinc/83/10/23/1129831023.db2.gz GLXYGUVDADVIML-UHFFFAOYSA-N 1 2 345.512 3.844 20 0 EHADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000673754841 1129831025 /nfs/dbraw/zinc/83/10/25/1129831025.db2.gz GLXYGUVDADVIML-UHFFFAOYSA-N 1 2 345.512 3.844 20 0 EHADLO Cc1cccn2cc(CCNc3nc(-c4ccccc4)ns3)[nH+]c12 ZINC000673817104 1129863533 /nfs/dbraw/zinc/86/35/33/1129863533.db2.gz LMZDQBMSGGAOKG-UHFFFAOYSA-N 1 2 335.436 3.816 20 0 EHADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000282447960 1129864961 /nfs/dbraw/zinc/86/49/61/1129864961.db2.gz VJIHYSKIMLSDCE-SJLPKXTDSA-N 1 2 337.467 3.729 20 0 EHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N[C@H]2CCCc3ccccc32)cs1 ZINC000543505277 1129906814 /nfs/dbraw/zinc/90/68/14/1129906814.db2.gz OJJPUVWWOGUQRK-CJNGLKHVSA-N 1 2 343.496 3.550 20 0 EHADLO CCOC(=O)C[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CCCC1 ZINC000354112107 1129930736 /nfs/dbraw/zinc/93/07/36/1129930736.db2.gz WOXIWLAVXKISSU-UHFFFAOYSA-N 1 2 335.492 3.563 20 0 EHADLO CCOC(=O)C[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CCCC1 ZINC000354112107 1129930740 /nfs/dbraw/zinc/93/07/40/1129930740.db2.gz WOXIWLAVXKISSU-UHFFFAOYSA-N 1 2 335.492 3.563 20 0 EHADLO Cc1ccccc1-n1cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)nn1 ZINC000347865613 1129945611 /nfs/dbraw/zinc/94/56/11/1129945611.db2.gz ZWFSOYCYCOYICC-HXUWFJFHSA-N 1 2 335.455 3.641 20 0 EHADLO Cc1ccccc1-n1cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)nn1 ZINC000347865613 1129945613 /nfs/dbraw/zinc/94/56/13/1129945613.db2.gz ZWFSOYCYCOYICC-HXUWFJFHSA-N 1 2 335.455 3.641 20 0 EHADLO COc1ccc(C[N@H+](Cc2nccs2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282495921 1129948023 /nfs/dbraw/zinc/94/80/23/1129948023.db2.gz QJEPYXLFRJFYRF-ZDUSSCGKSA-N 1 2 332.469 3.961 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nccs2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282495921 1129948028 /nfs/dbraw/zinc/94/80/28/1129948028.db2.gz QJEPYXLFRJFYRF-ZDUSSCGKSA-N 1 2 332.469 3.961 20 0 EHADLO O=C(CCc1cccs1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282497154 1129949290 /nfs/dbraw/zinc/94/92/90/1129949290.db2.gz YSGBQDQLLOVYSM-OAHLLOKOSA-N 1 2 343.496 3.620 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008512 1129956085 /nfs/dbraw/zinc/95/60/85/1129956085.db2.gz BXKARZGVFUSRFC-LIRRHRJNSA-N 1 2 344.405 3.931 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008512 1129956089 /nfs/dbraw/zinc/95/60/89/1129956089.db2.gz BXKARZGVFUSRFC-LIRRHRJNSA-N 1 2 344.405 3.931 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009691 1129957082 /nfs/dbraw/zinc/95/70/82/1129957082.db2.gz KNUWDKXDGPVDKZ-HXUWFJFHSA-N 1 2 340.442 3.794 20 0 EHADLO CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000674009691 1129957085 /nfs/dbraw/zinc/95/70/85/1129957085.db2.gz KNUWDKXDGPVDKZ-HXUWFJFHSA-N 1 2 340.442 3.794 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012573 1129961140 /nfs/dbraw/zinc/96/11/40/1129961140.db2.gz FBKQEIAPBZQRQX-BEFAXECRSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012573 1129961144 /nfs/dbraw/zinc/96/11/44/1129961144.db2.gz FBKQEIAPBZQRQX-BEFAXECRSA-N 1 2 326.415 3.620 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)C[C@H](C)C1(F)F ZINC000625648242 1129965723 /nfs/dbraw/zinc/96/57/23/1129965723.db2.gz HIUFBGXRPIYBIU-OKILXGFUSA-N 1 2 335.398 3.578 20 0 EHADLO C[C@@H]1C[N@H+](Cc2nc(CCc3ccccc3)no2)C[C@H](C)C1(F)F ZINC000625648242 1129965724 /nfs/dbraw/zinc/96/57/24/1129965724.db2.gz HIUFBGXRPIYBIU-OKILXGFUSA-N 1 2 335.398 3.578 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@H+](Cc3nnc4n3CCCCC4)C2)cc1F ZINC000625655433 1129966955 /nfs/dbraw/zinc/96/69/55/1129966955.db2.gz NEIPKGOERZSBAL-OAHLLOKOSA-N 1 2 346.425 3.662 20 0 EHADLO Fc1ccc([C@@H]2CCC[N@@H+](Cc3nnc4n3CCCCC4)C2)cc1F ZINC000625655433 1129966956 /nfs/dbraw/zinc/96/69/56/1129966956.db2.gz NEIPKGOERZSBAL-OAHLLOKOSA-N 1 2 346.425 3.662 20 0 EHADLO COc1cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(Br)cn1 ZINC000625652523 1129969077 /nfs/dbraw/zinc/96/90/77/1129969077.db2.gz ALTCCEYCZXCMJK-UWVGGRQHSA-N 1 2 349.219 3.576 20 0 EHADLO COC1CCC(CCNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000347887371 1129982136 /nfs/dbraw/zinc/98/21/36/1129982136.db2.gz VDHHPQBACNKWAO-KLAILNCOSA-N 1 2 332.492 3.720 20 0 EHADLO COC1CCC(CCNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000347887371 1129982141 /nfs/dbraw/zinc/98/21/41/1129982141.db2.gz VDHHPQBACNKWAO-KLAILNCOSA-N 1 2 332.492 3.720 20 0 EHADLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(F)c1 ZINC000674097850 1130002878 /nfs/dbraw/zinc/00/28/78/1130002878.db2.gz QGNCRBHNQJUFPR-SFHVURJKSA-N 1 2 337.398 3.581 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3ccccc3-n3cc[nH+]c3)CCC2)c1 ZINC000674134368 1130013837 /nfs/dbraw/zinc/01/38/37/1130013837.db2.gz RBOGMRFIWCOXMC-UHFFFAOYSA-N 1 2 345.446 3.919 20 0 EHADLO Fc1cccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)c1 ZINC000528572252 1130036196 /nfs/dbraw/zinc/03/61/96/1130036196.db2.gz DBXJMRNVHIDRSM-UHFFFAOYSA-N 1 2 343.358 3.512 20 0 EHADLO CCCc1nc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)cs1 ZINC000674371750 1130077886 /nfs/dbraw/zinc/07/78/86/1130077886.db2.gz USNCAJUJUNVXRB-QGZVFWFLSA-N 1 2 326.469 3.823 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674571432 1130135739 /nfs/dbraw/zinc/13/57/39/1130135739.db2.gz BXSFKUYNQONCSC-KRWDZBQOSA-N 1 2 326.444 3.877 20 0 EHADLO Cc1ccc(C)c([C@H]([NH2+]Cc2nnnn2C2CC2)c2ccccc2)c1 ZINC000674650015 1130162823 /nfs/dbraw/zinc/16/28/23/1130162823.db2.gz RJDSYWSHSKXZLK-HXUWFJFHSA-N 1 2 333.439 3.504 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)nc1 ZINC000674865313 1130211868 /nfs/dbraw/zinc/21/18/68/1130211868.db2.gz CHCNQERMFPMFJH-OXQOHEQNSA-N 1 2 326.440 3.751 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)nc1 ZINC000674865313 1130211875 /nfs/dbraw/zinc/21/18/75/1130211875.db2.gz CHCNQERMFPMFJH-OXQOHEQNSA-N 1 2 326.440 3.751 20 0 EHADLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-c3ccccc3F)s2)n1 ZINC000658159030 1130213286 /nfs/dbraw/zinc/21/32/86/1130213286.db2.gz MORFFVILIGCYGS-NSHDSACASA-N 1 2 346.431 3.670 20 0 EHADLO Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000674985567 1130235859 /nfs/dbraw/zinc/23/58/59/1130235859.db2.gz MFFPNCRYXYYRCZ-UHFFFAOYSA-N 1 2 346.337 3.566 20 0 EHADLO FC(F)(F)c1cc(Cl)cc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC001212536645 1130323367 /nfs/dbraw/zinc/32/33/67/1130323367.db2.gz TWHBGEBHCIKKRW-UHFFFAOYSA-N 1 2 328.681 3.654 20 0 EHADLO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000625741781 1130335787 /nfs/dbraw/zinc/33/57/87/1130335787.db2.gz GSTQGEJUQJQPNS-CXAGYDPISA-N 1 2 348.324 3.852 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000174213930 1130342313 /nfs/dbraw/zinc/34/23/13/1130342313.db2.gz UJQRBPWFXKBRFO-FCEWJHQRSA-N 1 2 338.455 3.907 20 0 EHADLO Cc1cccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1F ZINC000675460674 1130391855 /nfs/dbraw/zinc/39/18/55/1130391855.db2.gz VABZKDVVIHZLKM-QGZVFWFLSA-N 1 2 337.398 3.581 20 0 EHADLO Cc1ccc2nc(C(=O)Nc3ccc4c(cc[nH+]c4N(C)C)c3)cn2c1 ZINC001129123341 1130503288 /nfs/dbraw/zinc/50/32/88/1130503288.db2.gz WBTPGWSQOMLOPI-UHFFFAOYSA-N 1 2 345.406 3.509 20 0 EHADLO CCOc1ccc(C(C)=O)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976193 1130514168 /nfs/dbraw/zinc/51/41/68/1130514168.db2.gz JVHKHOZHPBGXSW-UHFFFAOYSA-N 1 2 349.434 3.764 20 0 EHADLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000675976446 1130514487 /nfs/dbraw/zinc/51/44/87/1130514487.db2.gz NYUNUJLETPEVMS-OAHLLOKOSA-N 1 2 348.450 3.606 20 0 EHADLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000676065642 1130525472 /nfs/dbraw/zinc/52/54/72/1130525472.db2.gz KKQAZBQRADFANV-CYBMUJFWSA-N 1 2 339.361 3.554 20 0 EHADLO CC(C)c1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)on1 ZINC000071121817 1130552719 /nfs/dbraw/zinc/55/27/19/1130552719.db2.gz QEECNHXBAANYLT-UHFFFAOYSA-N 1 2 348.472 3.739 20 0 EHADLO COc1cc(F)c([C@@H](C)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1OC ZINC000536840620 1130594458 /nfs/dbraw/zinc/59/44/58/1130594458.db2.gz PHNHAZGFJVCLPA-FZKQIMNGSA-N 1 2 344.430 3.680 20 0 EHADLO COc1cc(F)c([C@@H](C)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1OC ZINC000536840620 1130594465 /nfs/dbraw/zinc/59/44/65/1130594465.db2.gz PHNHAZGFJVCLPA-FZKQIMNGSA-N 1 2 344.430 3.680 20 0 EHADLO CCC[N@H+](CC)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000727821185 1130600584 /nfs/dbraw/zinc/60/05/84/1130600584.db2.gz VFCHGHWKBXJTFJ-UHFFFAOYSA-N 1 2 337.537 3.675 20 0 EHADLO CCC[N@@H+](CC)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000727821185 1130600585 /nfs/dbraw/zinc/60/05/85/1130600585.db2.gz VFCHGHWKBXJTFJ-UHFFFAOYSA-N 1 2 337.537 3.675 20 0 EHADLO O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727939163 1130612524 /nfs/dbraw/zinc/61/25/24/1130612524.db2.gz GBWMAQFUADMZSN-FAKMSMKASA-N 1 2 342.487 3.515 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+](C)Cc2cccc(C)c2)C1 ZINC000728046053 1130621273 /nfs/dbraw/zinc/62/12/73/1130621273.db2.gz XUNJDMSBZOALEB-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC000728046053 1130621279 /nfs/dbraw/zinc/62/12/79/1130621279.db2.gz XUNJDMSBZOALEB-HNNXBMFYSA-N 1 2 330.497 3.823 20 0 EHADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000729985426 1130662414 /nfs/dbraw/zinc/66/24/14/1130662414.db2.gz HRMBKOKBWBXUEQ-UHFFFAOYSA-N 1 2 331.759 3.829 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)n1C ZINC000729986144 1130662569 /nfs/dbraw/zinc/66/25/69/1130662569.db2.gz UPWXKRMORLSVRD-QGZVFWFLSA-N 1 2 344.528 3.987 20 0 EHADLO CC(C)c1nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(=S)n1C ZINC000729986144 1130662572 /nfs/dbraw/zinc/66/25/72/1130662572.db2.gz UPWXKRMORLSVRD-QGZVFWFLSA-N 1 2 344.528 3.987 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432584 1130711655 /nfs/dbraw/zinc/71/16/55/1130711655.db2.gz MFEBFWQGAKZZJE-CHWSQXEVSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432584 1130711660 /nfs/dbraw/zinc/71/16/60/1130711660.db2.gz MFEBFWQGAKZZJE-CHWSQXEVSA-N 1 2 347.821 3.691 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCCc3sccc3C2)C1 ZINC000730456353 1130712422 /nfs/dbraw/zinc/71/24/22/1130712422.db2.gz YTGTVYKJBQCVKG-LBPRGKRZSA-N 1 2 334.510 3.502 20 0 EHADLO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCCc3sccc3C2)C1 ZINC000730456353 1130712424 /nfs/dbraw/zinc/71/24/24/1130712424.db2.gz YTGTVYKJBQCVKG-LBPRGKRZSA-N 1 2 334.510 3.502 20 0 EHADLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000730933373 1130751298 /nfs/dbraw/zinc/75/12/98/1130751298.db2.gz ZXQMUOSZTIRDEH-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000730933373 1130751303 /nfs/dbraw/zinc/75/13/03/1130751303.db2.gz ZXQMUOSZTIRDEH-UHFFFAOYSA-N 1 2 349.434 3.504 20 0 EHADLO NC(Cc1cccs1)=[NH+]OCc1cc(-c2ccc(F)cc2)no1 ZINC000731028668 1130762276 /nfs/dbraw/zinc/76/22/76/1130762276.db2.gz HMNXLDROTFZAFH-UHFFFAOYSA-N 1 2 331.372 3.783 20 0 EHADLO O=C(C[NH+]1CCC(c2ccc(F)c(F)c2)CC1)OCc1ccccc1 ZINC000731031940 1130763048 /nfs/dbraw/zinc/76/30/48/1130763048.db2.gz ONOJQVGABRKJEO-UHFFFAOYSA-N 1 2 345.389 3.888 20 0 EHADLO CC[C@@H]([NH2+]Cc1nc(COC(C)C)no1)c1ccc(Cl)s1 ZINC001119811416 1130848838 /nfs/dbraw/zinc/84/88/38/1130848838.db2.gz XWLOYPLFSINJLS-SNVBAGLBSA-N 1 2 329.853 3.950 20 0 EHADLO CC(C)(C)OC(=O)NCc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000732049368 1130884406 /nfs/dbraw/zinc/88/44/06/1130884406.db2.gz RJAMPSJNQDENFD-UHFFFAOYSA-N 1 2 339.399 3.726 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732180665 1130893971 /nfs/dbraw/zinc/89/39/71/1130893971.db2.gz DAAVFTNUUPXHEJ-HNNXBMFYSA-N 1 2 340.452 3.752 20 0 EHADLO Cc1ccccc1-n1cnn(C[N@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732180665 1130893976 /nfs/dbraw/zinc/89/39/76/1130893976.db2.gz DAAVFTNUUPXHEJ-HNNXBMFYSA-N 1 2 340.452 3.752 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@H](C)O1 ZINC000732186351 1130895344 /nfs/dbraw/zinc/89/53/44/1130895344.db2.gz SQXLYLNDQMXPJM-NWDGAFQWSA-N 1 2 341.427 3.808 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2c3ccccc3nc2SC(F)F)C[C@H](C)O1 ZINC000732186351 1130895350 /nfs/dbraw/zinc/89/53/50/1130895350.db2.gz SQXLYLNDQMXPJM-NWDGAFQWSA-N 1 2 341.427 3.808 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)[C@H](C)c3cccc(O)c3)cc12 ZINC000732204120 1130899874 /nfs/dbraw/zinc/89/98/74/1130899874.db2.gz PWWBTOIIOYLLFR-GFCCVEGCSA-N 1 2 344.846 3.829 20 0 EHADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)[C@H](C)c3cccc(O)c3)cc12 ZINC000732204120 1130899882 /nfs/dbraw/zinc/89/98/82/1130899882.db2.gz PWWBTOIIOYLLFR-GFCCVEGCSA-N 1 2 344.846 3.829 20 0 EHADLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732986604 1130979504 /nfs/dbraw/zinc/97/95/04/1130979504.db2.gz MNCDDHLGFSUMNI-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732986604 1130979507 /nfs/dbraw/zinc/97/95/07/1130979507.db2.gz MNCDDHLGFSUMNI-IBGZPJMESA-N 1 2 344.405 3.727 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989690 1130979993 /nfs/dbraw/zinc/97/99/93/1130979993.db2.gz SRADDHFNSMFJCB-JEBQAFNWSA-N 1 2 336.426 3.797 20 0 EHADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732989690 1130979999 /nfs/dbraw/zinc/97/99/99/1130979999.db2.gz SRADDHFNSMFJCB-JEBQAFNWSA-N 1 2 336.426 3.797 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)oc1C ZINC000732989945 1130980451 /nfs/dbraw/zinc/98/04/51/1130980451.db2.gz XWQCMWXWBZHQSG-QGZVFWFLSA-N 1 2 335.350 3.990 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)oc1C ZINC000732989945 1130980457 /nfs/dbraw/zinc/98/04/57/1130980457.db2.gz XWQCMWXWBZHQSG-QGZVFWFLSA-N 1 2 335.350 3.990 20 0 EHADLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000733305132 1131020191 /nfs/dbraw/zinc/02/01/91/1131020191.db2.gz ZZXLHPPRFDTYEE-AWEZNQCLSA-N 1 2 325.416 3.572 20 0 EHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000733305132 1131020196 /nfs/dbraw/zinc/02/01/96/1131020196.db2.gz ZZXLHPPRFDTYEE-AWEZNQCLSA-N 1 2 325.416 3.572 20 0 EHADLO O=C(CSc1nc2ccccc2s1)Nc1ccc2[nH+]ccn2c1 ZINC000733880099 1131089770 /nfs/dbraw/zinc/08/97/70/1131089770.db2.gz FQVPFWNBASVBLH-UHFFFAOYSA-N 1 2 340.433 3.675 20 0 EHADLO CC(C)[N@H+](C)Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282572838 1131102058 /nfs/dbraw/zinc/10/20/58/1131102058.db2.gz YZTIXCZYHKDINZ-ZDUSSCGKSA-N 1 2 331.313 3.988 20 0 EHADLO CC(C)[N@@H+](C)Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000282572838 1131102061 /nfs/dbraw/zinc/10/20/61/1131102061.db2.gz YZTIXCZYHKDINZ-ZDUSSCGKSA-N 1 2 331.313 3.988 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000736318309 1131415786 /nfs/dbraw/zinc/41/57/86/1131415786.db2.gz WLIWEDKUEQHWLR-AWEZNQCLSA-N 1 2 329.412 3.917 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000736318309 1131415788 /nfs/dbraw/zinc/41/57/88/1131415788.db2.gz WLIWEDKUEQHWLR-AWEZNQCLSA-N 1 2 329.412 3.917 20 0 EHADLO Cc1[nH]c(CNC(=O)c2cccc(NCC(C)(C)C)c2C)[nH+]c1C ZINC000828172278 1131424342 /nfs/dbraw/zinc/42/43/42/1131424342.db2.gz WYQFZQKUPMLPIP-UHFFFAOYSA-N 1 2 328.460 3.723 20 0 EHADLO COc1ccccc1-n1cnn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738226654 1131463650 /nfs/dbraw/zinc/46/36/50/1131463650.db2.gz YPYBVZQZLPATBE-CQSZACIVSA-N 1 2 332.473 3.634 20 0 EHADLO COc1ccccc1-n1cnn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738226654 1131463656 /nfs/dbraw/zinc/46/36/56/1131463656.db2.gz YPYBVZQZLPATBE-CQSZACIVSA-N 1 2 332.473 3.634 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000738239100 1131465415 /nfs/dbraw/zinc/46/54/15/1131465415.db2.gz IIWXJHFQXYPJQB-MRXNPFEDSA-N 1 2 328.456 3.548 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000738239100 1131465418 /nfs/dbraw/zinc/46/54/18/1131465418.db2.gz IIWXJHFQXYPJQB-MRXNPFEDSA-N 1 2 328.456 3.548 20 0 EHADLO CC(C)(C)c1nnc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)o1 ZINC000738299630 1131467493 /nfs/dbraw/zinc/46/74/93/1131467493.db2.gz NYMGRVMGOBZXEU-UHFFFAOYSA-N 1 2 337.427 3.533 20 0 EHADLO CC(C)(C)c1nnc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)o1 ZINC000738299630 1131467497 /nfs/dbraw/zinc/46/74/97/1131467497.db2.gz NYMGRVMGOBZXEU-UHFFFAOYSA-N 1 2 337.427 3.533 20 0 EHADLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1nc2ccccc2s1 ZINC000738950673 1131490871 /nfs/dbraw/zinc/49/08/71/1131490871.db2.gz HLCZMAWXKACYEU-LLVKDONJSA-N 1 2 337.408 3.827 20 0 EHADLO COC[C@H]1CC[N@H+](Cn2nc(CCC3CCCCC3)oc2=S)C1 ZINC000739865349 1131512175 /nfs/dbraw/zinc/51/21/75/1131512175.db2.gz BBDPVMGXTARPCW-HNNXBMFYSA-N 1 2 339.505 3.644 20 0 EHADLO COC[C@H]1CC[N@@H+](Cn2nc(CCC3CCCCC3)oc2=S)C1 ZINC000739865349 1131512177 /nfs/dbraw/zinc/51/21/77/1131512177.db2.gz BBDPVMGXTARPCW-HNNXBMFYSA-N 1 2 339.505 3.644 20 0 EHADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858484 1131549408 /nfs/dbraw/zinc/54/94/08/1131549408.db2.gz FNHGPHJDJHBDJX-KBPBESRZSA-N 1 2 328.485 3.968 20 0 EHADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 ZINC000740858484 1131549415 /nfs/dbraw/zinc/54/94/15/1131549415.db2.gz FNHGPHJDJHBDJX-KBPBESRZSA-N 1 2 328.485 3.968 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000740881042 1131553076 /nfs/dbraw/zinc/55/30/76/1131553076.db2.gz GBKMNIOCVZBUNE-KBPBESRZSA-N 1 2 337.464 3.533 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000740881042 1131553078 /nfs/dbraw/zinc/55/30/78/1131553078.db2.gz GBKMNIOCVZBUNE-KBPBESRZSA-N 1 2 337.464 3.533 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000740861165 1131554463 /nfs/dbraw/zinc/55/44/63/1131554463.db2.gz VACBZZYAQJHWPB-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000740861165 1131554466 /nfs/dbraw/zinc/55/44/66/1131554466.db2.gz VACBZZYAQJHWPB-NWDGAFQWSA-N 1 2 336.892 3.959 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000740988393 1131563823 /nfs/dbraw/zinc/56/38/23/1131563823.db2.gz ZVYKWXKGVRGTRV-CABCVRRESA-N 1 2 327.399 3.877 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000740988393 1131563827 /nfs/dbraw/zinc/56/38/27/1131563827.db2.gz ZVYKWXKGVRGTRV-CABCVRRESA-N 1 2 327.399 3.877 20 0 EHADLO C[C@@H](C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCCC1 ZINC000741029466 1131571340 /nfs/dbraw/zinc/57/13/40/1131571340.db2.gz PLHVNZGYAPDCOZ-SIHNGCNOSA-N 1 2 347.499 3.580 20 0 EHADLO C[C@H](C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2)[NH+]1CCCCCC1 ZINC000741029343 1131571824 /nfs/dbraw/zinc/57/18/24/1131571824.db2.gz NSFFBWFCBJDEEM-CVEARBPZSA-N 1 2 343.467 3.554 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+]C(C)(C)c2ccc3ccccc3c2)n1 ZINC000626116135 1131588641 /nfs/dbraw/zinc/58/86/41/1131588641.db2.gz RIEFBMJFIVZQFC-ZDUSSCGKSA-N 1 2 325.412 3.955 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000741775261 1131645010 /nfs/dbraw/zinc/64/50/10/1131645010.db2.gz IUNSSBBKMSCMOH-OAHLLOKOSA-N 1 2 326.440 3.989 20 0 EHADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000741775261 1131645013 /nfs/dbraw/zinc/64/50/13/1131645013.db2.gz IUNSSBBKMSCMOH-OAHLLOKOSA-N 1 2 326.440 3.989 20 0 EHADLO CC[C@H](C)NC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877135 1131663462 /nfs/dbraw/zinc/66/34/62/1131663462.db2.gz XGGHRFPJISLVAY-KBPBESRZSA-N 1 2 339.936 3.692 20 0 EHADLO S=c1n(Cc2cccs2)nnn1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742167467 1131692473 /nfs/dbraw/zinc/69/24/73/1131692473.db2.gz VBIUZLMJMMQSNV-UHFFFAOYSA-N 1 2 349.529 3.533 20 0 EHADLO S=c1n(Cc2cccs2)nnn1C[N@H+]1CCC2(C1)CCCCC2 ZINC000742167467 1131692475 /nfs/dbraw/zinc/69/24/75/1131692475.db2.gz VBIUZLMJMMQSNV-UHFFFAOYSA-N 1 2 349.529 3.533 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000742633736 1131764974 /nfs/dbraw/zinc/76/49/74/1131764974.db2.gz GWKOSPHAAYKNNF-LMVHVUTASA-N 1 2 344.484 3.514 20 0 EHADLO O=C(/C=C\C1CC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660593 1131766475 /nfs/dbraw/zinc/76/64/75/1131766475.db2.gz ZSVQCOGQVUDLQB-KQQSKNTNSA-N 1 2 336.838 3.526 20 0 EHADLO O=C(/C=C\C1CC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000742660593 1131766477 /nfs/dbraw/zinc/76/64/77/1131766477.db2.gz ZSVQCOGQVUDLQB-KQQSKNTNSA-N 1 2 336.838 3.526 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4cccnc4)cc3)cc2)C1 ZINC001212670159 1131779030 /nfs/dbraw/zinc/77/90/30/1131779030.db2.gz JNQPOGCTWXLKPN-UHFFFAOYSA-N 1 2 331.419 3.669 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc(F)c3C(F)(F)F)cc2)C1 ZINC001212670090 1131779440 /nfs/dbraw/zinc/77/94/40/1131779440.db2.gz GRUYPDXAQJPVOP-UHFFFAOYSA-N 1 2 340.320 3.765 20 0 EHADLO O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180597917 1131780597 /nfs/dbraw/zinc/78/05/97/1131780597.db2.gz SCMACPWNXQQOKA-UHFFFAOYSA-N 1 2 332.285 3.538 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3ccc(-c4nccs4)cc3)cc2)C1 ZINC001212670407 1131780916 /nfs/dbraw/zinc/78/09/16/1131780916.db2.gz WBUXFXNDPVPMJD-UHFFFAOYSA-N 1 2 337.448 3.730 20 0 EHADLO Oc1ccc(-c2cccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)c2)cc1 ZINC001212672062 1131787425 /nfs/dbraw/zinc/78/74/25/1131787425.db2.gz CYHVNMCELIFXRR-UHFFFAOYSA-N 1 2 346.430 3.979 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cccc4c(Cl)ccnc34)cc2)C1 ZINC001212671053 1131792692 /nfs/dbraw/zinc/79/26/92/1131792692.db2.gz DKBNAOQYAOSIDH-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722162 1131821820 /nfs/dbraw/zinc/82/18/20/1131821820.db2.gz PKHXAWZSXHXQDS-CQSZACIVSA-N 1 2 331.799 3.593 20 0 EHADLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172722162 1131821827 /nfs/dbraw/zinc/82/18/27/1131821827.db2.gz PKHXAWZSXHXQDS-CQSZACIVSA-N 1 2 331.799 3.593 20 0 EHADLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172709990 1131832281 /nfs/dbraw/zinc/83/22/81/1131832281.db2.gz ACZBIYFMGDDOSR-AZUAARDMSA-N 1 2 343.854 3.571 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC001172850710 1131870725 /nfs/dbraw/zinc/87/07/25/1131870725.db2.gz ZZRQAKVBVRVHNG-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCN(Cc2cccnc2)CC1 ZINC001172850710 1131870737 /nfs/dbraw/zinc/87/07/37/1131870737.db2.gz ZZRQAKVBVRVHNG-HNNXBMFYSA-N 1 2 347.865 3.623 20 0 EHADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000180914969 1131905602 /nfs/dbraw/zinc/90/56/02/1131905602.db2.gz MKROKOYBXOLVDN-QMMMGPOBSA-N 1 2 348.756 3.515 20 0 EHADLO O=C1CC2(CCC2)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000743348298 1131906393 /nfs/dbraw/zinc/90/63/93/1131906393.db2.gz KPKICDXCNJOTST-QGZVFWFLSA-N 1 2 344.505 3.870 20 0 EHADLO O=C1CC2(CCC2)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000743348298 1131906398 /nfs/dbraw/zinc/90/63/98/1131906398.db2.gz KPKICDXCNJOTST-QGZVFWFLSA-N 1 2 344.505 3.870 20 0 EHADLO Fc1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Br)c1 ZINC001212693492 1131906632 /nfs/dbraw/zinc/90/66/32/1131906632.db2.gz ZRAJUDRZQHFGPQ-UHFFFAOYSA-N 1 2 347.191 3.972 20 0 EHADLO CC[C@H]1C[N@H+](Cn2ccn(Cc3ccccc3)c2=S)CCS1 ZINC000743398551 1131912179 /nfs/dbraw/zinc/91/21/79/1131912179.db2.gz YPUIJBLVLWPCNO-INIZCTEOSA-N 1 2 333.526 3.852 20 0 EHADLO CC[C@H]1C[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)CCS1 ZINC000743398551 1131912181 /nfs/dbraw/zinc/91/21/81/1131912181.db2.gz YPUIJBLVLWPCNO-INIZCTEOSA-N 1 2 333.526 3.852 20 0 EHADLO CCOC(=O)c1cnc(C)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212694219 1131923092 /nfs/dbraw/zinc/92/30/92/1131923092.db2.gz PFMGJHHIOOKTPV-UHFFFAOYSA-N 1 2 336.395 3.555 20 0 EHADLO COC(=O)c1cccc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697516 1131937228 /nfs/dbraw/zinc/93/72/28/1131937228.db2.gz CPBNGLAGJRDPLG-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO COC(=O)c1cc(F)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697887 1131937630 /nfs/dbraw/zinc/93/76/30/1131937630.db2.gz ZNUWUBYHBQATLN-UHFFFAOYSA-N 1 2 325.343 3.601 20 0 EHADLO COC(=O)CCc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212698596 1131937642 /nfs/dbraw/zinc/93/76/42/1131937642.db2.gz XNCRWQIHWIHOGO-UHFFFAOYSA-N 1 2 335.407 3.781 20 0 EHADLO CCC[C@@H]([NH2+][C@H]1CCc2ncsc2C1)C(=O)OCc1ccccc1 ZINC001173127303 1131974853 /nfs/dbraw/zinc/97/48/53/1131974853.db2.gz XROZMTZJZASDMO-DOTOQJQBSA-N 1 2 344.480 3.502 20 0 EHADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)cc1SC(F)(F)F ZINC000743841528 1131981015 /nfs/dbraw/zinc/98/10/15/1131981015.db2.gz ZNUVMKZJHUQGEA-UHFFFAOYSA-N 1 2 335.391 3.918 20 0 EHADLO COc1ccc(C[N@H+]2CCOCC2(C)C)cc1SC(F)(F)F ZINC000743841528 1131981021 /nfs/dbraw/zinc/98/10/21/1131981021.db2.gz ZNUVMKZJHUQGEA-UHFFFAOYSA-N 1 2 335.391 3.918 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000743862350 1131987701 /nfs/dbraw/zinc/98/77/01/1131987701.db2.gz LOJNXNMDQRKEAC-GFCCVEGCSA-N 1 2 329.400 3.569 20 0 EHADLO FC1(F)Oc2cccc(C[NH2+]Cc3ccnc(Cl)c3Cl)c2O1 ZINC001203254624 1132064976 /nfs/dbraw/zinc/06/49/76/1132064976.db2.gz IKFZWIHZDGDRKF-UHFFFAOYSA-N 1 2 347.148 4.000 20 0 EHADLO Cc1cc(Cl)nc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001212743116 1132094932 /nfs/dbraw/zinc/09/49/32/1132094932.db2.gz KPDJSOSKPHRKMX-UHFFFAOYSA-N 1 2 337.770 3.946 20 0 EHADLO OCc1cc(F)cc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001212743660 1132095941 /nfs/dbraw/zinc/09/59/41/1132095941.db2.gz MQUVCHYGZQFXNB-UHFFFAOYSA-N 1 2 347.187 3.794 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000744432066 1132096962 /nfs/dbraw/zinc/09/69/62/1132096962.db2.gz FQHKDKXQWDXXEP-VQTJNVASSA-N 1 2 344.499 3.520 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000744432066 1132096970 /nfs/dbraw/zinc/09/69/70/1132096970.db2.gz FQHKDKXQWDXXEP-VQTJNVASSA-N 1 2 344.499 3.520 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000744475887 1132107175 /nfs/dbraw/zinc/10/71/75/1132107175.db2.gz OTYKEKWYNGOJGM-SJLPKXTDSA-N 1 2 343.471 3.519 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000744475885 1132107586 /nfs/dbraw/zinc/10/75/86/1132107586.db2.gz OTYKEKWYNGOJGM-AEFFLSMTSA-N 1 2 343.471 3.519 20 0 EHADLO Brc1cc(Nc2ccc3c(c2)OCCO3)c2[nH+]ccn2c1 ZINC001173875566 1132156218 /nfs/dbraw/zinc/15/62/18/1132156218.db2.gz PIMIXMGJHVZTAH-UHFFFAOYSA-N 1 2 346.184 3.612 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)c(F)c1 ZINC001173866608 1132158702 /nfs/dbraw/zinc/15/87/02/1132158702.db2.gz MILYAUYJHFNZQW-UHFFFAOYSA-N 1 2 330.338 3.860 20 0 EHADLO Cc1cc(F)ccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001173966345 1132186183 /nfs/dbraw/zinc/18/61/83/1132186183.db2.gz DRJLIOSLZGEWLY-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO c1cc2cc(Nc3cccc(OCC[NH+]4CCOCC4)c3)ccc2[nH]1 ZINC001173938899 1132190093 /nfs/dbraw/zinc/19/00/93/1132190093.db2.gz NVTYGFKUAITFFP-UHFFFAOYSA-N 1 2 337.423 3.623 20 0 EHADLO COc1ccc2cc(Nc3[nH+]cccc3N3CCOCC3)ccc2c1 ZINC001174030276 1132219646 /nfs/dbraw/zinc/21/96/46/1132219646.db2.gz AVSFRJAVWLMSDN-UHFFFAOYSA-N 1 2 335.407 3.824 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(COC)c1 ZINC001174094021 1132225943 /nfs/dbraw/zinc/22/59/43/1132225943.db2.gz XDMSGACWANVMFN-UHFFFAOYSA-N 1 2 338.411 3.728 20 0 EHADLO CC(C)Oc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001174108337 1132230956 /nfs/dbraw/zinc/23/09/56/1132230956.db2.gz BKFWBRKHLNKDOP-UHFFFAOYSA-N 1 2 327.428 3.574 20 0 EHADLO O=C(c1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1)N1CCCC1 ZINC001174169123 1132266203 /nfs/dbraw/zinc/26/62/03/1132266203.db2.gz INVWNEPLRHQOJJ-UHFFFAOYSA-N 1 2 340.814 3.967 20 0 EHADLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943729 1132339209 /nfs/dbraw/zinc/33/92/09/1132339209.db2.gz DLIJQOJFGOSHQR-GFCCVEGCSA-N 1 2 342.842 3.920 20 0 EHADLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943729 1132339215 /nfs/dbraw/zinc/33/92/15/1132339215.db2.gz DLIJQOJFGOSHQR-GFCCVEGCSA-N 1 2 342.842 3.920 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3ccccc3S(C)(=O)=O)ccc21 ZINC001174381774 1132343791 /nfs/dbraw/zinc/34/37/91/1132343791.db2.gz SEROGPFFMGQNBV-UHFFFAOYSA-N 1 2 329.425 3.764 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cnn(C4CCOCC4)c3)ccc21 ZINC001174382040 1132344429 /nfs/dbraw/zinc/34/44/29/1132344429.db2.gz VHIBPIMBJOGRBO-UHFFFAOYSA-N 1 2 325.416 3.909 20 0 EHADLO c1cc2cc(Nc3ccc(N4CC[NH+](C5COC5)CC4)cc3)ccc2o1 ZINC001174418460 1132347259 /nfs/dbraw/zinc/34/72/59/1132347259.db2.gz HJTDANXREAIDRQ-UHFFFAOYSA-N 1 2 349.434 3.697 20 0 EHADLO CCC[N@@H+](Cc1ccccc1F)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746037714 1132349722 /nfs/dbraw/zinc/34/97/22/1132349722.db2.gz JUYLITVWSIMVDW-LJQANCHMSA-N 1 2 326.415 3.969 20 0 EHADLO CCC[N@H+](Cc1ccccc1F)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746037714 1132349729 /nfs/dbraw/zinc/34/97/29/1132349729.db2.gz JUYLITVWSIMVDW-LJQANCHMSA-N 1 2 326.415 3.969 20 0 EHADLO CCS(=O)(=O)c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001174462328 1132376454 /nfs/dbraw/zinc/37/64/54/1132376454.db2.gz JWFGTOZLFBIRJH-UHFFFAOYSA-N 1 2 335.816 3.525 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746118826 1132377288 /nfs/dbraw/zinc/37/72/88/1132377288.db2.gz FRPSXAXYRNUOFH-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO CC(=O)c1ccc(NC(=O)C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746118826 1132377294 /nfs/dbraw/zinc/37/72/94/1132377294.db2.gz FRPSXAXYRNUOFH-UHFFFAOYSA-N 1 2 336.435 3.535 20 0 EHADLO Brc1ccc2[nH+]ccc(Nc3cnn(CC4CC4)c3)c2c1 ZINC001174467554 1132379329 /nfs/dbraw/zinc/37/93/29/1132379329.db2.gz SPKFRCOTSXRUIM-UHFFFAOYSA-N 1 2 343.228 3.769 20 0 EHADLO COC(=O)c1cc(N)cc2c1ccn2-c1ccc([NH+]2CCCC2)cc1 ZINC001174527949 1132383536 /nfs/dbraw/zinc/38/35/36/1132383536.db2.gz UMCOFMRQPOVFDH-UHFFFAOYSA-N 1 2 335.407 3.600 20 0 EHADLO CC(C)c1cc2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)cn2n1 ZINC001174521764 1132398970 /nfs/dbraw/zinc/39/89/70/1132398970.db2.gz DPMDXTLNQYJKCB-UHFFFAOYSA-N 1 2 336.443 3.982 20 0 EHADLO Cc1cnn(Cc2cccnc2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523718 1132400240 /nfs/dbraw/zinc/40/02/40/1132400240.db2.gz XRSHESBWEACOBZ-UHFFFAOYSA-N 1 2 348.454 3.764 20 0 EHADLO O=C(NC1CC1)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524906 1132401444 /nfs/dbraw/zinc/40/14/44/1132401444.db2.gz VELJMTDDMPPASB-UHFFFAOYSA-N 1 2 336.439 3.708 20 0 EHADLO COc1cccc(NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184448491 1132410339 /nfs/dbraw/zinc/41/03/39/1132410339.db2.gz ZBTOBZIBTHXPOB-GFCCVEGCSA-N 1 2 347.484 3.739 20 0 EHADLO COc1cc(C[NH+]2CCOCC2)ccc1NCCC1=CCCCC1 ZINC001168776425 1132421067 /nfs/dbraw/zinc/42/10/67/1132421067.db2.gz XYONHGKGCMQJLZ-UHFFFAOYSA-N 1 2 330.472 3.830 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1N ZINC000746323175 1132442704 /nfs/dbraw/zinc/44/27/04/1132442704.db2.gz UAGZLILNVCURGH-LBPRGKRZSA-N 1 2 344.484 3.518 20 0 EHADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1N ZINC000746323175 1132442708 /nfs/dbraw/zinc/44/27/08/1132442708.db2.gz UAGZLILNVCURGH-LBPRGKRZSA-N 1 2 344.484 3.518 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000189139354 1132443356 /nfs/dbraw/zinc/44/33/56/1132443356.db2.gz SYXYMCAJTOQWMC-UHFFFAOYSA-N 1 2 337.345 3.557 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000189139354 1132443359 /nfs/dbraw/zinc/44/33/59/1132443359.db2.gz SYXYMCAJTOQWMC-UHFFFAOYSA-N 1 2 337.345 3.557 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000189236991 1132443416 /nfs/dbraw/zinc/44/34/16/1132443416.db2.gz KGSYAOPIXYQTAN-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000189236991 1132443420 /nfs/dbraw/zinc/44/34/20/1132443420.db2.gz KGSYAOPIXYQTAN-UHFFFAOYSA-N 1 2 333.382 3.592 20 0 EHADLO CC(C)(CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000189293678 1132444239 /nfs/dbraw/zinc/44/42/39/1132444239.db2.gz IZBDYYRUMAXZIV-UHFFFAOYSA-N 1 2 340.254 3.743 20 0 EHADLO CC(C)(CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000189293678 1132444246 /nfs/dbraw/zinc/44/42/46/1132444246.db2.gz IZBDYYRUMAXZIV-UHFFFAOYSA-N 1 2 340.254 3.743 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000192489191 1132473553 /nfs/dbraw/zinc/47/35/53/1132473553.db2.gz ZDHYISTVRZAIPA-UHFFFAOYSA-N 1 2 349.394 3.625 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000192489191 1132473558 /nfs/dbraw/zinc/47/35/58/1132473558.db2.gz ZDHYISTVRZAIPA-UHFFFAOYSA-N 1 2 349.394 3.625 20 0 EHADLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000192983087 1132477497 /nfs/dbraw/zinc/47/74/97/1132477497.db2.gz CYXASYGHLLSODU-GFCCVEGCSA-N 1 2 339.361 3.971 20 0 EHADLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000192983087 1132477501 /nfs/dbraw/zinc/47/75/01/1132477501.db2.gz CYXASYGHLLSODU-GFCCVEGCSA-N 1 2 339.361 3.971 20 0 EHADLO Cc1cccc(C(NC(=O)CCc2c[nH]c[nH+]2)c2cccc(C)c2)c1 ZINC000193477301 1132481534 /nfs/dbraw/zinc/48/15/34/1132481534.db2.gz XTHWOGNWRWHHNT-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO Cc1cccc(C(NC(=O)CCc2c[nH+]c[nH]2)c2cccc(C)c2)c1 ZINC000193477301 1132481540 /nfs/dbraw/zinc/48/15/40/1132481540.db2.gz XTHWOGNWRWHHNT-UHFFFAOYSA-N 1 2 333.435 3.865 20 0 EHADLO COCc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001174917730 1132504888 /nfs/dbraw/zinc/50/48/88/1132504888.db2.gz IMALBYIZHHYYAO-UHFFFAOYSA-N 1 2 332.201 3.987 20 0 EHADLO Fc1cc(F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC001174976141 1132509774 /nfs/dbraw/zinc/50/97/74/1132509774.db2.gz LNCYHHWDISMOHA-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO Cc1cccc(Br)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977478 1132511085 /nfs/dbraw/zinc/51/10/85/1132511085.db2.gz RQNMXLAZXLMGBB-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO COc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(=S)o1 ZINC000766382968 1132523704 /nfs/dbraw/zinc/52/37/04/1132523704.db2.gz VUPXINHTGXKNKK-OLZOCXBDSA-N 1 2 333.457 3.817 20 0 EHADLO COc1ccccc1-c1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(=S)o1 ZINC000766382968 1132523713 /nfs/dbraw/zinc/52/37/13/1132523713.db2.gz VUPXINHTGXKNKK-OLZOCXBDSA-N 1 2 333.457 3.817 20 0 EHADLO COc1ccccc1[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766384921 1132524056 /nfs/dbraw/zinc/52/40/56/1132524056.db2.gz AHLGPBZFPARFLD-GFCCVEGCSA-N 1 2 325.416 3.763 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)o1 ZINC000766400362 1132529752 /nfs/dbraw/zinc/52/97/52/1132529752.db2.gz DBXLVJVSYQRKIC-YPMHNXCESA-N 1 2 325.416 3.910 20 0 EHADLO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(C)(F)CC4)nc(N)c23)C1 ZINC001175024413 1132533104 /nfs/dbraw/zinc/53/31/04/1132533104.db2.gz FIURIPCLVNBLSO-LLVKDONJSA-N 1 2 348.491 3.722 20 0 EHADLO Fc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c(F)cc1Cl ZINC001174979765 1132533854 /nfs/dbraw/zinc/53/38/54/1132533854.db2.gz GXIPASSNBFXSEZ-UHFFFAOYSA-N 1 2 325.746 3.593 20 0 EHADLO CC(C)(C)Oc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174979627 1132533982 /nfs/dbraw/zinc/53/39/82/1132533982.db2.gz DUHDUGVRLBTDHF-UHFFFAOYSA-N 1 2 327.428 3.839 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1)C1CC1 ZINC001175104281 1132554772 /nfs/dbraw/zinc/55/47/72/1132554772.db2.gz YEFPEBFBYLNLBH-ZDUSSCGKSA-N 1 2 348.437 3.723 20 0 EHADLO COC(=O)c1ccc(Cl)c(Nc2ccc(N(C)C)[nH+]c2)c1Cl ZINC001175343555 1132627748 /nfs/dbraw/zinc/62/77/48/1132627748.db2.gz HRRDQZGTIZGANC-UHFFFAOYSA-N 1 2 340.210 3.985 20 0 EHADLO Cc1csc2c1nc(Cl)nc2NCCc1cn2ccccc2[nH+]1 ZINC001169000271 1132628419 /nfs/dbraw/zinc/62/84/19/1132628419.db2.gz JXCPEWFLLLQJGT-UHFFFAOYSA-N 1 2 343.843 3.955 20 0 EHADLO c1cn(Cc2ccc(NCCOc3cccc4ccccc43)nc2)c[nH+]1 ZINC001169012634 1132631710 /nfs/dbraw/zinc/63/17/10/1132631710.db2.gz CWTGVWVXQJSLQO-UHFFFAOYSA-N 1 2 344.418 3.971 20 0 EHADLO COCCNc1cccc(F)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349103 1132640423 /nfs/dbraw/zinc/64/04/23/1132640423.db2.gz KLKZUSSQOXJERU-UHFFFAOYSA-N 1 2 330.407 3.623 20 0 EHADLO Cc1nccc(Br)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349145 1132640745 /nfs/dbraw/zinc/64/07/45/1132640745.db2.gz LLSMDUMVYDLUHO-UHFFFAOYSA-N 1 2 333.233 3.891 20 0 EHADLO COCCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175352579 1132647011 /nfs/dbraw/zinc/64/70/11/1132647011.db2.gz WSDGJHSZACKGAG-UHFFFAOYSA-N 1 2 331.391 3.590 20 0 EHADLO COC(=O)[C@H](CC1CCCCC1)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169163436 1132684994 /nfs/dbraw/zinc/68/49/94/1132684994.db2.gz NRYNFVUELLSENJ-KRWDZBQOSA-N 1 2 345.418 3.935 20 0 EHADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CCc2cc(F)ccc21 ZINC001169168209 1132685777 /nfs/dbraw/zinc/68/57/77/1132685777.db2.gz OSUNXLPKBFBGBK-LJQANCHMSA-N 1 2 349.409 3.535 20 0 EHADLO CSc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cn1 ZINC001175655006 1132732098 /nfs/dbraw/zinc/73/20/98/1132732098.db2.gz WRGCUPHUDUSEDB-UHFFFAOYSA-N 1 2 335.230 3.957 20 0 EHADLO COc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1C(C)=O ZINC001175714257 1132741380 /nfs/dbraw/zinc/74/13/80/1132741380.db2.gz LAJGQISTYBXWKL-UHFFFAOYSA-N 1 2 325.290 3.637 20 0 EHADLO COC(=O)c1cc(C)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717563 1132742520 /nfs/dbraw/zinc/74/25/20/1132742520.db2.gz KASGSPFWWSPPPB-UHFFFAOYSA-N 1 2 325.290 3.521 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC001175741632 1132749992 /nfs/dbraw/zinc/74/99/92/1132749992.db2.gz NRRBHYCIIFRXFT-IBGZPJMESA-N 1 2 330.378 3.915 20 0 EHADLO C[C@@]1(c2ccccc2)CCC[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC001175741632 1132749998 /nfs/dbraw/zinc/74/99/98/1132749998.db2.gz NRRBHYCIIFRXFT-IBGZPJMESA-N 1 2 330.378 3.915 20 0 EHADLO C[C@H]1C[C@H](CC(=O)NCCCN(C)c2cccc[nH+]2)CC(C)(C)C1 ZINC001175706417 1132753425 /nfs/dbraw/zinc/75/34/25/1132753425.db2.gz CXKHZFKKOPZJPL-DLBZAZTESA-N 1 2 331.504 3.877 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC001175870340 1132788460 /nfs/dbraw/zinc/78/84/60/1132788460.db2.gz FKXUYQDTPJRSQN-HZMBPMFUSA-N 1 2 337.769 3.890 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC001175870340 1132788464 /nfs/dbraw/zinc/78/84/64/1132788464.db2.gz FKXUYQDTPJRSQN-HZMBPMFUSA-N 1 2 337.769 3.890 20 0 EHADLO CCc1onc(C)c1C[NH+]1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001175906810 1132794925 /nfs/dbraw/zinc/79/49/25/1132794925.db2.gz LGNZPPCQDPOUSQ-IBGZPJMESA-N 1 2 345.462 3.953 20 0 EHADLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(C)c(N)c(C)c1 ZINC001175932195 1132800650 /nfs/dbraw/zinc/80/06/50/1132800650.db2.gz QKBSXOMOMKCMKO-UHFFFAOYSA-N 1 2 337.427 3.781 20 0 EHADLO Cc1cc(C)[nH+]c(Nc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC001176024756 1132823838 /nfs/dbraw/zinc/82/38/38/1132823838.db2.gz YSWYULMCYJZVGB-UHFFFAOYSA-N 1 2 345.468 3.617 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@](F)(c3ccccc3C)C2)s1 ZINC001169724758 1132836151 /nfs/dbraw/zinc/83/61/51/1132836151.db2.gz UUCCKMFKSVWOJN-GOSISDBHSA-N 1 2 348.443 3.699 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+]2CC[C@](F)(c3ccccc3C)C2)s1 ZINC001169724758 1132836157 /nfs/dbraw/zinc/83/61/57/1132836157.db2.gz UUCCKMFKSVWOJN-GOSISDBHSA-N 1 2 348.443 3.699 20 0 EHADLO COc1cc[nH+]cc1Nc1ccnc2ccc(Br)cc21 ZINC001176119301 1132852228 /nfs/dbraw/zinc/85/22/28/1132852228.db2.gz UXSHCFPPEWOMNV-UHFFFAOYSA-N 1 2 330.185 3.566 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc2cnn(C(=O)OC(C)(C)C)c21 ZINC001176124107 1132853135 /nfs/dbraw/zinc/85/31/35/1132853135.db2.gz NPVGMHLCNVWSQD-UHFFFAOYSA-N 1 2 340.383 3.967 20 0 EHADLO Cc1cc(C(F)(F)F)ccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001176205776 1132872325 /nfs/dbraw/zinc/87/23/25/1132872325.db2.gz KIAWEIOKAWOVFJ-AWEZNQCLSA-N 1 2 337.345 3.723 20 0 EHADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169888782 1132881907 /nfs/dbraw/zinc/88/19/07/1132881907.db2.gz ACQJVFZZEUQBEY-CYBMUJFWSA-N 1 2 349.377 3.537 20 0 EHADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169888782 1132881917 /nfs/dbraw/zinc/88/19/17/1132881917.db2.gz ACQJVFZZEUQBEY-CYBMUJFWSA-N 1 2 349.377 3.537 20 0 EHADLO C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCc1c[nH+]cn1C ZINC000766868607 1132883499 /nfs/dbraw/zinc/88/34/99/1132883499.db2.gz GBMTUJHVMREOIH-POHAHGRESA-N 1 2 325.195 3.874 20 0 EHADLO Fc1ccc2c[nH+]c(NCCOc3ccc4c(c3)OCO4)cc2c1 ZINC001169930504 1132900311 /nfs/dbraw/zinc/90/03/11/1132900311.db2.gz RAAFHPVTMLOBLG-UHFFFAOYSA-N 1 2 326.327 3.594 20 0 EHADLO CCN(CC)C(=O)c1cc(F)cc(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001176298910 1132907960 /nfs/dbraw/zinc/90/79/60/1132907960.db2.gz CKAWUFOOXDEOEV-UHFFFAOYSA-N 1 2 340.402 3.938 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2cccnc2Cl)CCS1 ZINC000766986099 1132927453 /nfs/dbraw/zinc/92/74/53/1132927453.db2.gz AYPBZAFRJXAMKG-GFCCVEGCSA-N 1 2 341.908 3.670 20 0 EHADLO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2cccnc2Cl)CCS1 ZINC000766986099 1132927457 /nfs/dbraw/zinc/92/74/57/1132927457.db2.gz AYPBZAFRJXAMKG-GFCCVEGCSA-N 1 2 341.908 3.670 20 0 EHADLO Cc1ccc(C=CNc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001176422807 1132936142 /nfs/dbraw/zinc/93/61/42/1132936142.db2.gz SGHARJDURGHQJY-ZHACJKMWSA-N 1 2 338.451 3.789 20 0 EHADLO Cc1cccn2cc(CCNc3cc(Cl)nc(C4CC4)n3)[nH+]c12 ZINC000767250108 1132975131 /nfs/dbraw/zinc/97/51/31/1132975131.db2.gz KEWJZXUDWPJRQT-UHFFFAOYSA-N 1 2 327.819 3.618 20 0 EHADLO Fc1ncc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176742928 1132990887 /nfs/dbraw/zinc/99/08/87/1132990887.db2.gz DKTRSKJFCQJHFP-UHFFFAOYSA-N 1 2 337.196 3.722 20 0 EHADLO COC(=O)c1cc(Cl)sc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749289 1132992168 /nfs/dbraw/zinc/99/21/68/1132992168.db2.gz BRQCATNRMVWSID-UHFFFAOYSA-N 1 2 337.832 3.927 20 0 EHADLO CC(C)CCO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001176836852 1133003945 /nfs/dbraw/zinc/00/39/45/1133003945.db2.gz XQMBEWDSTAKYTF-KRWDZBQOSA-N 1 2 349.862 3.526 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)nc1 ZINC001176871029 1133006986 /nfs/dbraw/zinc/00/69/86/1133006986.db2.gz HLRGURKGVUFUDI-KRWDZBQOSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)nc1 ZINC001176871029 1133006992 /nfs/dbraw/zinc/00/69/92/1133006992.db2.gz HLRGURKGVUFUDI-KRWDZBQOSA-N 1 2 345.830 3.519 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CC(C)(C)CC(C)(C)C2)n1 ZINC000767515012 1133011124 /nfs/dbraw/zinc/01/11/24/1133011124.db2.gz LAOQPOVNAGFLQU-UHFFFAOYSA-N 1 2 333.505 3.593 20 0 EHADLO Cc1[nH+]ccn1CCCCNC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000767519853 1133011952 /nfs/dbraw/zinc/01/19/52/1133011952.db2.gz CADYPPOYBDBLMS-UHFFFAOYSA-N 1 2 335.492 3.606 20 0 EHADLO COc1ccc([C@H]2C[N@H+](CCCC(C)(F)F)CCO2)cc1OC ZINC001176946627 1133015133 /nfs/dbraw/zinc/01/51/33/1133015133.db2.gz QUCWESWAUZWMHC-MRXNPFEDSA-N 1 2 329.387 3.513 20 0 EHADLO COc1ccc([C@H]2C[N@@H+](CCCC(C)(F)F)CCO2)cc1OC ZINC001176946627 1133015138 /nfs/dbraw/zinc/01/51/38/1133015138.db2.gz QUCWESWAUZWMHC-MRXNPFEDSA-N 1 2 329.387 3.513 20 0 EHADLO CC1(C)CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)Cc2ccccc21 ZINC001176964247 1133016812 /nfs/dbraw/zinc/01/68/12/1133016812.db2.gz FTOMOYCKOKMROG-GOSISDBHSA-N 1 2 349.478 3.618 20 0 EHADLO Cc1ncc(C[N@@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)o1 ZINC001177033827 1133019670 /nfs/dbraw/zinc/01/96/70/1133019670.db2.gz VRYMZHADVUBYJH-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO Cc1ncc(C[N@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)o1 ZINC001177033827 1133019672 /nfs/dbraw/zinc/01/96/72/1133019672.db2.gz VRYMZHADVUBYJH-UHFFFAOYSA-N 1 2 343.427 3.888 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000742051729 1133037627 /nfs/dbraw/zinc/03/76/27/1133037627.db2.gz AWMSPZYCWLIKLX-GFCCVEGCSA-N 1 2 335.448 3.866 20 0 EHADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767795742 1133055643 /nfs/dbraw/zinc/05/56/43/1133055643.db2.gz KYYKIAYIKFRZRW-IKGGRYGDSA-N 1 2 332.492 3.668 20 0 EHADLO CCn1cnc(Cl)c1C[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC001177656802 1133093027 /nfs/dbraw/zinc/09/30/27/1133093027.db2.gz LQOPPEYEXDTJMS-KRWDZBQOSA-N 1 2 326.831 3.831 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)CNc1ccc(N(C)CCO)c[nH+]1 ZINC001178059278 1133128735 /nfs/dbraw/zinc/12/87/35/1133128735.db2.gz DPTHJXVIUNCKOX-KAMYIIQDSA-N 1 2 331.847 3.679 20 0 EHADLO CC(=O)N1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc21 ZINC001178196066 1133141684 /nfs/dbraw/zinc/14/16/84/1133141684.db2.gz MWTLORQZPBRTBR-INIZCTEOSA-N 1 2 327.453 3.608 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](CN3C[C@H](C(C)C)CC3=O)CC2)cc1 ZINC000768470572 1133145250 /nfs/dbraw/zinc/14/52/50/1133145250.db2.gz KAGARTGLDQQTMJ-LJQANCHMSA-N 1 2 342.483 3.636 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](CN3C[C@H](C(C)C)CC3=O)CC2)cc1 ZINC000768470572 1133145253 /nfs/dbraw/zinc/14/52/53/1133145253.db2.gz KAGARTGLDQQTMJ-LJQANCHMSA-N 1 2 342.483 3.636 20 0 EHADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542100 1133153069 /nfs/dbraw/zinc/15/30/69/1133153069.db2.gz IQAUSPPAEJAJBI-UONOGXRCSA-N 1 2 336.501 3.543 20 0 EHADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542100 1133153071 /nfs/dbraw/zinc/15/30/71/1133153071.db2.gz IQAUSPPAEJAJBI-UONOGXRCSA-N 1 2 336.501 3.543 20 0 EHADLO COc1cc(N[C@@H]2CCC[N@H+](C/C(Cl)=C/Cl)C2)cc(OC)c1 ZINC000768553703 1133155190 /nfs/dbraw/zinc/15/51/90/1133155190.db2.gz QYNZLCPFRAJRMJ-KIWPFMIBSA-N 1 2 345.270 3.899 20 0 EHADLO COc1cc(N[C@@H]2CCC[N@@H+](C/C(Cl)=C/Cl)C2)cc(OC)c1 ZINC000768553703 1133155193 /nfs/dbraw/zinc/15/51/93/1133155193.db2.gz QYNZLCPFRAJRMJ-KIWPFMIBSA-N 1 2 345.270 3.899 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1F ZINC001249868757 1133165117 /nfs/dbraw/zinc/16/51/17/1133165117.db2.gz QZQSVPNBFCWKBQ-OTYXRUKQSA-N 1 2 348.231 3.629 20 0 EHADLO Cc1c(F)cc(Br)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1F ZINC001249868757 1133165120 /nfs/dbraw/zinc/16/51/20/1133165120.db2.gz QZQSVPNBFCWKBQ-OTYXRUKQSA-N 1 2 348.231 3.629 20 0 EHADLO CCc1[nH]c(CNC(=O)c2ccccc2OC2CCCCC2)c[nH+]1 ZINC001178669413 1133189125 /nfs/dbraw/zinc/18/91/25/1133189125.db2.gz IZFBRPCHBKHEOD-UHFFFAOYSA-N 1 2 327.428 3.614 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2ccccc2OC2CCCCC2)[nH+]1 ZINC001178669413 1133189127 /nfs/dbraw/zinc/18/91/27/1133189127.db2.gz IZFBRPCHBKHEOD-UHFFFAOYSA-N 1 2 327.428 3.614 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204224217 1133191419 /nfs/dbraw/zinc/19/14/19/1133191419.db2.gz QPRPMUWZBBLPRX-CYBMUJFWSA-N 1 2 340.414 3.654 20 0 EHADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204224217 1133191426 /nfs/dbraw/zinc/19/14/26/1133191426.db2.gz QPRPMUWZBBLPRX-CYBMUJFWSA-N 1 2 340.414 3.654 20 0 EHADLO O=C(CCCCCc1ccc(F)cc1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922650 1133213895 /nfs/dbraw/zinc/21/38/95/1133213895.db2.gz RPHDJVNUINKGBN-UHFFFAOYSA-N 1 2 343.446 3.847 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000769036247 1133216614 /nfs/dbraw/zinc/21/66/14/1133216614.db2.gz UTHTXWNNRGFAHE-INIZCTEOSA-N 1 2 347.890 3.817 20 0 EHADLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000769036247 1133216619 /nfs/dbraw/zinc/21/66/19/1133216619.db2.gz UTHTXWNNRGFAHE-INIZCTEOSA-N 1 2 347.890 3.817 20 0 EHADLO OC[C@H]([NH2+]Cc1cc2cnccc2o1)c1cccc(Cl)c1Cl ZINC001179199873 1133235523 /nfs/dbraw/zinc/23/55/23/1133235523.db2.gz LJFRTQUMTJRSIO-AWEZNQCLSA-N 1 2 337.206 3.958 20 0 EHADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001179430180 1133250862 /nfs/dbraw/zinc/25/08/62/1133250862.db2.gz RGUZBKLNKMWSJO-UHFFFAOYSA-N 1 2 348.855 3.515 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000769380350 1133273156 /nfs/dbraw/zinc/27/31/56/1133273156.db2.gz UQRZIRMFWSIKER-SNVBAGLBSA-N 1 2 328.218 3.856 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000769380350 1133273162 /nfs/dbraw/zinc/27/31/62/1133273162.db2.gz UQRZIRMFWSIKER-SNVBAGLBSA-N 1 2 328.218 3.856 20 0 EHADLO Cc1nnsc1C[NH2+]Cc1cc(Oc2cccc(Cl)c2)ccn1 ZINC001179734079 1133276704 /nfs/dbraw/zinc/27/67/04/1133276704.db2.gz PCKWINKKIAAXHP-UHFFFAOYSA-N 1 2 346.843 3.977 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)o1 ZINC000769401269 1133277627 /nfs/dbraw/zinc/27/76/27/1133277627.db2.gz DWCMHGZMSTTWOJ-QGZVFWFLSA-N 1 2 332.831 3.787 20 0 EHADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)o1 ZINC000769401269 1133277632 /nfs/dbraw/zinc/27/76/32/1133277632.db2.gz DWCMHGZMSTTWOJ-QGZVFWFLSA-N 1 2 332.831 3.787 20 0 EHADLO Cc1ccc(F)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000769460480 1133295798 /nfs/dbraw/zinc/29/57/98/1133295798.db2.gz JTTQLIJFKLNGII-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO CCOc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)CC2 ZINC001179989755 1133310942 /nfs/dbraw/zinc/31/09/42/1133310942.db2.gz VSCGQZLBRNEWRP-UHFFFAOYSA-N 1 2 343.423 3.586 20 0 EHADLO CCOc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)OC)c(CC)o1)CC2 ZINC001179989755 1133310945 /nfs/dbraw/zinc/31/09/45/1133310945.db2.gz VSCGQZLBRNEWRP-UHFFFAOYSA-N 1 2 343.423 3.586 20 0 EHADLO c1oc(C2CC2)nc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000769544044 1133312377 /nfs/dbraw/zinc/31/23/77/1133312377.db2.gz RKTRVDRCJWFEJG-LJQANCHMSA-N 1 2 326.440 3.776 20 0 EHADLO c1oc(C2CC2)nc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000769544044 1133312382 /nfs/dbraw/zinc/31/23/82/1133312382.db2.gz RKTRVDRCJWFEJG-LJQANCHMSA-N 1 2 326.440 3.776 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccnc(OC)c1F ZINC001180188200 1133337474 /nfs/dbraw/zinc/33/74/74/1133337474.db2.gz BIOIVXHFTGMDAV-INIZCTEOSA-N 1 2 330.403 3.965 20 0 EHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccnc(OC)c1F ZINC001180188200 1133337477 /nfs/dbraw/zinc/33/74/77/1133337477.db2.gz BIOIVXHFTGMDAV-INIZCTEOSA-N 1 2 330.403 3.965 20 0 EHADLO CCOc1cc(F)cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC001180229251 1133346741 /nfs/dbraw/zinc/34/67/41/1133346741.db2.gz IYWKTYHPDGFPSF-FQEVSTJZSA-N 1 2 329.415 3.972 20 0 EHADLO CCOc1cc(F)cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC001180229251 1133346747 /nfs/dbraw/zinc/34/67/47/1133346747.db2.gz IYWKTYHPDGFPSF-FQEVSTJZSA-N 1 2 329.415 3.972 20 0 EHADLO CCN(CC)C(=O)N1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC001180271746 1133353730 /nfs/dbraw/zinc/35/37/30/1133353730.db2.gz RHUBKMOUMOIALR-HNNXBMFYSA-N 1 2 337.895 3.523 20 0 EHADLO C[N@@H+](Cc1cc[nH]n1)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180289051 1133357476 /nfs/dbraw/zinc/35/74/76/1133357476.db2.gz QZFADHGETJLZGO-AWEZNQCLSA-N 1 2 338.496 3.561 20 0 EHADLO C[N@H+](Cc1cc[nH]n1)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180289051 1133357481 /nfs/dbraw/zinc/35/74/81/1133357481.db2.gz QZFADHGETJLZGO-AWEZNQCLSA-N 1 2 338.496 3.561 20 0 EHADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000769872978 1133361200 /nfs/dbraw/zinc/36/12/00/1133361200.db2.gz NVMARSMUKYGECV-HNNXBMFYSA-N 1 2 338.455 3.835 20 0 EHADLO Cc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001180520136 1133381464 /nfs/dbraw/zinc/38/14/64/1133381464.db2.gz FEUYYHRREJSEAR-KRWDZBQOSA-N 1 2 349.434 3.607 20 0 EHADLO COc1ccccc1/C=C/C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180530567 1133384080 /nfs/dbraw/zinc/38/40/80/1133384080.db2.gz OJQKNVPYEIPZND-DHZHZOJOSA-N 1 2 333.391 3.592 20 0 EHADLO Cn1c(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc2ccccc21 ZINC001180540378 1133388789 /nfs/dbraw/zinc/38/87/89/1133388789.db2.gz KSVYOTZFRHSZSH-OAQYLSRUSA-N 1 2 348.446 3.886 20 0 EHADLO Cn1c(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc2ccccc21 ZINC001180540378 1133388794 /nfs/dbraw/zinc/38/87/94/1133388794.db2.gz KSVYOTZFRHSZSH-OAQYLSRUSA-N 1 2 348.446 3.886 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)Cc1cccnc1 ZINC001180723640 1133411082 /nfs/dbraw/zinc/41/10/82/1133411082.db2.gz LIUBYIMIOLPRJI-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)Cc1cccnc1 ZINC001180723640 1133411085 /nfs/dbraw/zinc/41/10/85/1133411085.db2.gz LIUBYIMIOLPRJI-UHFFFAOYSA-N 1 2 326.831 3.861 20 0 EHADLO O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc2[nH+]ccn21 ZINC000770417481 1133426036 /nfs/dbraw/zinc/42/60/36/1133426036.db2.gz ARXZVOQBHSPITP-UHFFFAOYSA-N 1 2 335.285 3.528 20 0 EHADLO CC(C)CCNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001180935356 1133431816 /nfs/dbraw/zinc/43/18/16/1133431816.db2.gz NPCHXZXTAKSAAX-UHFFFAOYSA-N 1 2 340.309 3.659 20 0 EHADLO CC(C)CC[NH2+]c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001180935356 1133431819 /nfs/dbraw/zinc/43/18/19/1133431819.db2.gz NPCHXZXTAKSAAX-UHFFFAOYSA-N 1 2 340.309 3.659 20 0 EHADLO COc1ccc(CCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001181215987 1133471058 /nfs/dbraw/zinc/47/10/58/1133471058.db2.gz CJDWIYQWJLTSHI-UHFFFAOYSA-N 1 2 349.434 3.901 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCc2sccc21 ZINC000771295033 1133535731 /nfs/dbraw/zinc/53/57/31/1133535731.db2.gz JTOBDOMMXDVMIM-GDBMZVCRSA-N 1 2 331.485 3.596 20 0 EHADLO O=C(NCCOc1cc[nH+]cc1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181831294 1133538268 /nfs/dbraw/zinc/53/82/68/1133538268.db2.gz LEJXRGKOCGBYAW-NRFANRHFSA-N 1 2 346.430 3.603 20 0 EHADLO CC(C)[C@H](C(=O)Nc1ccc(C2CC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000771734145 1133589685 /nfs/dbraw/zinc/58/96/85/1133589685.db2.gz TWMZGLHCTALDOX-SPYBWZPUSA-N 1 2 330.472 3.636 20 0 EHADLO CC[NH+](CC)[C@H](C(=O)Nc1cc(OC)ccn1)c1ccccc1Cl ZINC001182218426 1133598359 /nfs/dbraw/zinc/59/83/59/1133598359.db2.gz JVMIRAWDKIHONB-KRWDZBQOSA-N 1 2 347.846 3.765 20 0 EHADLO O=C(Nc1cccnn1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246947 1133600483 /nfs/dbraw/zinc/60/04/83/1133600483.db2.gz YXDFTTCYWCBBOJ-QGZVFWFLSA-N 1 2 344.846 3.686 20 0 EHADLO Cc1ccc(C(=O)c2ccccc2C(=O)OCCn2cc[nH+]c2)cc1C ZINC000771895555 1133612347 /nfs/dbraw/zinc/61/23/47/1133612347.db2.gz QKRIFHNVJDMNNW-UHFFFAOYSA-N 1 2 348.402 3.588 20 0 EHADLO O=C(OCCn1cc[nH+]c1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000771967439 1133621863 /nfs/dbraw/zinc/62/18/63/1133621863.db2.gz DHZNPOKMQJAFFL-UHFFFAOYSA-N 1 2 344.317 3.811 20 0 EHADLO CSc1cc(C(=O)OCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000772003318 1133627546 /nfs/dbraw/zinc/62/75/46/1133627546.db2.gz KHSHPRDQUAVRQV-UHFFFAOYSA-N 1 2 331.224 3.769 20 0 EHADLO O=C(CCc1cccc2cnccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001182393745 1133652181 /nfs/dbraw/zinc/65/21/81/1133652181.db2.gz QSNGHQAQNZORDM-UHFFFAOYSA-N 1 2 342.402 3.992 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(C)c1F ZINC001170039338 1133652296 /nfs/dbraw/zinc/65/22/96/1133652296.db2.gz NAUZXOWSXZUFQL-AWEZNQCLSA-N 1 2 340.414 3.764 20 0 EHADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(C)c1F ZINC001170039338 1133652299 /nfs/dbraw/zinc/65/22/99/1133652299.db2.gz NAUZXOWSXZUFQL-AWEZNQCLSA-N 1 2 340.414 3.764 20 0 EHADLO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464493 1133682743 /nfs/dbraw/zinc/68/27/43/1133682743.db2.gz LDQLOCGGTYAXTR-QWRGUYRKSA-N 1 2 345.270 3.549 20 0 EHADLO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC001182464493 1133682752 /nfs/dbraw/zinc/68/27/52/1133682752.db2.gz LDQLOCGGTYAXTR-QWRGUYRKSA-N 1 2 345.270 3.549 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(C)cc(Cl)c1)CC2 ZINC001182543760 1133699567 /nfs/dbraw/zinc/69/95/67/1133699567.db2.gz NFUHFWUZOWSMQL-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(C)cc(Cl)c1)CC2 ZINC001182543760 1133699568 /nfs/dbraw/zinc/69/95/68/1133699568.db2.gz NFUHFWUZOWSMQL-UHFFFAOYSA-N 1 2 329.827 3.993 20 0 EHADLO CC[C@H](C)C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001182573717 1133701471 /nfs/dbraw/zinc/70/14/71/1133701471.db2.gz BWHUBVVTYNEGMB-HWWQOWPSSA-N 1 2 329.843 3.978 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182713520 1133722637 /nfs/dbraw/zinc/72/26/37/1133722637.db2.gz RRVVPDPAAFPANC-CYBMUJFWSA-N 1 2 330.391 3.559 20 0 EHADLO CCCOc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1C ZINC001182795910 1133729265 /nfs/dbraw/zinc/72/92/65/1133729265.db2.gz NOEOHTWMVXBMBD-UHFFFAOYSA-N 1 2 346.515 3.864 20 0 EHADLO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001183018796 1133761121 /nfs/dbraw/zinc/76/11/21/1133761121.db2.gz RSKBTMBKJFVWGQ-HNNXBMFYSA-N 1 2 335.407 3.680 20 0 EHADLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000746563250 1133763015 /nfs/dbraw/zinc/76/30/15/1133763015.db2.gz GYXFZGSUXZQYPX-CQSZACIVSA-N 1 2 346.390 3.547 20 0 EHADLO Fc1cc2c(cc1F)C[N@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC001183526605 1133814906 /nfs/dbraw/zinc/81/49/06/1133814906.db2.gz PDKUOFOWUVLIBZ-SFHVURJKSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1cc2c(cc1F)C[N@@H+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC001183526605 1133814911 /nfs/dbraw/zinc/81/49/11/1133814911.db2.gz PDKUOFOWUVLIBZ-SFHVURJKSA-N 1 2 345.389 3.691 20 0 EHADLO Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000772681194 1133820570 /nfs/dbraw/zinc/82/05/70/1133820570.db2.gz POTLKPMAIUMCEU-UHFFFAOYSA-N 1 2 346.390 3.698 20 0 EHADLO CCCc1nc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2o1 ZINC001183750124 1133852303 /nfs/dbraw/zinc/85/23/03/1133852303.db2.gz DQAKIFZSFFDBJT-SFHVURJKSA-N 1 2 349.434 3.993 20 0 EHADLO CCCc1nc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2o1 ZINC001183750124 1133852310 /nfs/dbraw/zinc/85/23/10/1133852310.db2.gz DQAKIFZSFFDBJT-SFHVURJKSA-N 1 2 349.434 3.993 20 0 EHADLO Cc1nc2c(F)cccc2cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747593 1133852832 /nfs/dbraw/zinc/85/28/32/1133852832.db2.gz KVRVJOGEZPJSED-LJQANCHMSA-N 1 2 349.409 3.895 20 0 EHADLO Cc1nc2c(F)cccc2cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747593 1133852838 /nfs/dbraw/zinc/85/28/38/1133852838.db2.gz KVRVJOGEZPJSED-LJQANCHMSA-N 1 2 349.409 3.895 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183747552 1133853491 /nfs/dbraw/zinc/85/34/91/1133853491.db2.gz KNLGFOZJMHDDMU-FQEVSTJZSA-N 1 2 343.430 3.962 20 0 EHADLO O=C(Nc1ncccc1-c1ccccc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183747552 1133853499 /nfs/dbraw/zinc/85/34/99/1133853499.db2.gz KNLGFOZJMHDDMU-FQEVSTJZSA-N 1 2 343.430 3.962 20 0 EHADLO Nc1ccc(CCC(=O)Nc2cc(C3CCCCC3)ccc2O)c[nH+]1 ZINC001183934901 1133873749 /nfs/dbraw/zinc/87/37/49/1133873749.db2.gz NWWFYPRHBLBYRJ-UHFFFAOYSA-N 1 2 339.439 3.988 20 0 EHADLO COC(=O)c1c(OC)cc[nH+]c1N[C@@H](c1ccc(F)cc1)C(C)C ZINC001170063642 1133892823 /nfs/dbraw/zinc/89/28/23/1133892823.db2.gz UFADFLSQTXHWQX-MRXNPFEDSA-N 1 2 332.375 3.825 20 0 EHADLO Fc1nccc(Cl)c1C[NH2+][C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001184429304 1133940229 /nfs/dbraw/zinc/94/02/29/1133940229.db2.gz VZTDYEYLLAGEBB-YJBOKZPZSA-N 1 2 348.805 3.647 20 0 EHADLO CC(C)c1cc(N(C)C[C@H]2COc3ccccc3O2)nc(C(C)C)[nH+]1 ZINC001184515980 1133956580 /nfs/dbraw/zinc/95/65/80/1133956580.db2.gz JBJQXRFGXWIFEM-HNNXBMFYSA-N 1 2 341.455 4.000 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C[C@@H](CC(C)(C)C)CC2=O)cc1F ZINC000787214082 1133969396 /nfs/dbraw/zinc/96/93/96/1133969396.db2.gz PYSKVOJFQFUZFV-OAHLLOKOSA-N 1 2 336.451 3.508 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C[C@@H](CC(C)(C)C)CC2=O)cc1F ZINC000787214082 1133969399 /nfs/dbraw/zinc/96/93/99/1133969399.db2.gz PYSKVOJFQFUZFV-OAHLLOKOSA-N 1 2 336.451 3.508 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001184706588 1133978956 /nfs/dbraw/zinc/97/89/56/1133978956.db2.gz RMZKTYGVAKQZHR-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO Cc1cccn2c(CNC(=O)Nc3cccc(Cl)c3C)c[nH+]c12 ZINC001184686709 1133981809 /nfs/dbraw/zinc/98/18/09/1133981809.db2.gz AFRWPWLDMUITMT-UHFFFAOYSA-N 1 2 328.803 3.926 20 0 EHADLO CCOC(=O)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1C ZINC001184968019 1134009162 /nfs/dbraw/zinc/00/91/62/1134009162.db2.gz JSVCVAOCIJBULV-UHFFFAOYSA-N 1 2 325.412 3.911 20 0 EHADLO C[C@@H](Cc1ccccc1)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)n[nH]1 ZINC001184980615 1134011021 /nfs/dbraw/zinc/01/10/21/1134011021.db2.gz RVMNUJSOTJQNOR-AWEZNQCLSA-N 1 2 345.406 3.656 20 0 EHADLO Cc1cccc(C2(CC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)CCC2)c1 ZINC001185082642 1134033619 /nfs/dbraw/zinc/03/36/19/1134033619.db2.gz DWTJRXDNLKHSQU-UHFFFAOYSA-N 1 2 337.467 3.936 20 0 EHADLO Cc1cccc(C2(CC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)CCC2)c1 ZINC001185082642 1134033627 /nfs/dbraw/zinc/03/36/27/1134033627.db2.gz DWTJRXDNLKHSQU-UHFFFAOYSA-N 1 2 337.467 3.936 20 0 EHADLO O=C(Nc1ccc(F)c(F)c1F)Nc1ccccc1-n1cc[nH+]c1 ZINC001185285101 1134063014 /nfs/dbraw/zinc/06/30/14/1134063014.db2.gz GXIRFKLQWFMIEL-UHFFFAOYSA-N 1 2 332.285 3.934 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000788021502 1134074521 /nfs/dbraw/zinc/07/45/21/1134074521.db2.gz DYBZMBZXZZNARG-UHFFFAOYSA-N 1 2 332.879 3.997 20 0 EHADLO CN(C)c1ncnc(Cl)c1C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000788021502 1134074526 /nfs/dbraw/zinc/07/45/26/1134074526.db2.gz DYBZMBZXZZNARG-UHFFFAOYSA-N 1 2 332.879 3.997 20 0 EHADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(-c2ccccc2Cl)o1 ZINC000788079541 1134078440 /nfs/dbraw/zinc/07/84/40/1134078440.db2.gz DKFHVDHLJYUIRK-GFCCVEGCSA-N 1 2 337.778 3.801 20 0 EHADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(-c2ccccc2Cl)o1 ZINC000788079541 1134078446 /nfs/dbraw/zinc/07/84/46/1134078446.db2.gz DKFHVDHLJYUIRK-GFCCVEGCSA-N 1 2 337.778 3.801 20 0 EHADLO Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C)c2)c2ccccc2[nH+]1 ZINC001185485730 1134097309 /nfs/dbraw/zinc/09/73/09/1134097309.db2.gz ZQHJCAYFMXUAMK-UHFFFAOYSA-N 1 2 346.839 3.728 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283130 1134108413 /nfs/dbraw/zinc/10/84/13/1134108413.db2.gz WGQOLGWQSZBCBE-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000788283130 1134108414 /nfs/dbraw/zinc/10/84/14/1134108414.db2.gz WGQOLGWQSZBCBE-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000788283130 1134108418 /nfs/dbraw/zinc/10/84/18/1134108418.db2.gz WGQOLGWQSZBCBE-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000788283130 1134108419 /nfs/dbraw/zinc/10/84/19/1134108419.db2.gz WGQOLGWQSZBCBE-IUODEOHRSA-N 1 2 346.368 3.578 20 0 EHADLO S=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788331025 1134109899 /nfs/dbraw/zinc/10/98/99/1134109899.db2.gz DLWYFIVAAJIVMM-CYBMUJFWSA-N 1 2 333.844 3.585 20 0 EHADLO Cc1ccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000788334368 1134110315 /nfs/dbraw/zinc/11/03/15/1134110315.db2.gz WCOJGSDULOAKHF-QGZVFWFLSA-N 1 2 327.453 3.549 20 0 EHADLO Cc1c(Cl)cccc1NC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788334745 1134110366 /nfs/dbraw/zinc/11/03/66/1134110366.db2.gz XOYBATIQPOWKSN-CQSZACIVSA-N 1 2 347.871 3.894 20 0 EHADLO Cn1ccc2cccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c21 ZINC000788311021 1134112890 /nfs/dbraw/zinc/11/28/90/1134112890.db2.gz MJWJHAOEJBBYPL-INIZCTEOSA-N 1 2 339.443 3.611 20 0 EHADLO COc1ccc(C[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001185987648 1134153328 /nfs/dbraw/zinc/15/33/28/1134153328.db2.gz OGXTUXBSOWBLRF-CQSZACIVSA-N 1 2 325.456 3.986 20 0 EHADLO COc1cc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1Cl ZINC000788758519 1134165862 /nfs/dbraw/zinc/16/58/62/1134165862.db2.gz QHKVMURPVAKAAX-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1SC(C)(C)C ZINC000788781393 1134174821 /nfs/dbraw/zinc/17/48/21/1134174821.db2.gz GMHKKEYKHWIZAG-ZDUSSCGKSA-N 1 2 346.500 3.550 20 0 EHADLO CC(C)CCCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788844824 1134181166 /nfs/dbraw/zinc/18/11/66/1134181166.db2.gz BEENLWUKQMCTQV-GOSISDBHSA-N 1 2 333.476 3.851 20 0 EHADLO CC(C)=CCN(Cc1ccc(Cl)cc1)c1[nH+]cnc2c1cnn2C ZINC001186238516 1134185402 /nfs/dbraw/zinc/18/54/02/1134185402.db2.gz HWLOUUOTJINWAW-UHFFFAOYSA-N 1 2 341.846 3.990 20 0 EHADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)ccc1SC(F)F ZINC000788983885 1134200452 /nfs/dbraw/zinc/20/04/52/1134200452.db2.gz NZAAZCZVRJUGRM-ZJUUUORDSA-N 1 2 342.415 3.550 20 0 EHADLO C[C@H](NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001186374948 1134211367 /nfs/dbraw/zinc/21/13/67/1134211367.db2.gz UCZVZBAPDSYBRA-HNNXBMFYSA-N 1 2 331.460 3.603 20 0 EHADLO C=Cc1ccc(C(=O)Nc2ccc(OC)nc2-n2cc[nH+]c2CC)cc1 ZINC001186513390 1134227338 /nfs/dbraw/zinc/22/73/38/1134227338.db2.gz JLGOEELWRZTVGX-UHFFFAOYSA-N 1 2 348.406 3.734 20 0 EHADLO Cc1cccc2c1OCC[C@@H]2OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000789684965 1134314502 /nfs/dbraw/zinc/31/45/02/1134314502.db2.gz HOEVWCPSUQUGLE-IBGZPJMESA-N 1 2 348.402 3.920 20 0 EHADLO Cc1cc(NC2CN(c3ncccn3)C2)[nH+]c2c1cccc2C(C)C ZINC001170126998 1134363444 /nfs/dbraw/zinc/36/34/44/1134363444.db2.gz YCVUPGJEPNVVFH-UHFFFAOYSA-N 1 2 333.439 3.757 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001187946266 1134403203 /nfs/dbraw/zinc/40/32/03/1134403203.db2.gz RZVZPQMNTWHKDW-UHFFFAOYSA-N 1 2 334.807 3.592 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccccc2F)[nH]n1 ZINC001188013507 1134415647 /nfs/dbraw/zinc/41/56/47/1134415647.db2.gz SXMLPKULKMQELJ-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)C[C@H](C)O1 ZINC000790505171 1134428604 /nfs/dbraw/zinc/42/86/04/1134428604.db2.gz UMYWTQWWKJJVBL-RFGKEDTNSA-N 1 2 344.499 3.916 20 0 EHADLO COc1ccc(NC(=O)Nc2cccc3[nH+]c(C)cn32)cc1Cl ZINC001188433832 1134463176 /nfs/dbraw/zinc/46/31/76/1134463176.db2.gz OHGKDICGDVHSNK-UHFFFAOYSA-N 1 2 330.775 3.949 20 0 EHADLO CCN(C)c1ccc(Nc2ccc(F)c(C(=O)N3CCCC3)c2)c[nH+]1 ZINC001188441573 1134464673 /nfs/dbraw/zinc/46/46/73/1134464673.db2.gz QRNVUGYEAKSPOB-UHFFFAOYSA-N 1 2 342.418 3.656 20 0 EHADLO COc1ccc(NC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC001188791542 1134508468 /nfs/dbraw/zinc/50/84/68/1134508468.db2.gz KRVSYMFXMJHFNW-UHFFFAOYSA-N 1 2 338.367 3.534 20 0 EHADLO Nc1ccc(CNC(=O)Nc2ccccc2SC(F)(F)F)c[nH+]1 ZINC000791096289 1134509076 /nfs/dbraw/zinc/50/90/76/1134509076.db2.gz SYQSDUXYRWFJLF-UHFFFAOYSA-N 1 2 342.346 3.597 20 0 EHADLO Cn1c[nH+]c2cc(Nc3ccc(F)c(C(=O)N4CCCC4)c3)ccc21 ZINC001188861267 1134514234 /nfs/dbraw/zinc/51/42/34/1134514234.db2.gz MIZRBWGDGWTDSI-UHFFFAOYSA-N 1 2 338.386 3.692 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccnc1Cl ZINC000791271795 1134524285 /nfs/dbraw/zinc/52/42/85/1134524285.db2.gz SYADUWJYJMJPBK-UHFFFAOYSA-N 1 2 327.771 3.586 20 0 EHADLO CN(Cc1ccccc1)c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000791329773 1134532073 /nfs/dbraw/zinc/53/20/73/1134532073.db2.gz OXXMOYAKPHKYRQ-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO Nc1cc(COC(=O)c2ccc(OCc3ccccc3)cc2)cc[nH+]1 ZINC000791443530 1134551943 /nfs/dbraw/zinc/55/19/43/1134551943.db2.gz IKSWRBXMMMPCFK-UHFFFAOYSA-N 1 2 334.375 3.600 20 0 EHADLO Fc1ccc2[nH+]c(Cc3nc(C[C@@H]4C[C@H]4c4ccccc4)no3)cn2c1 ZINC000867047380 1134552136 /nfs/dbraw/zinc/55/21/36/1134552136.db2.gz NXHJJRIOBYBLME-YOEHRIQHSA-N 1 2 348.381 3.793 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000780446915 1134602820 /nfs/dbraw/zinc/60/28/20/1134602820.db2.gz KSBDXKWXRUZJCE-FQEVSTJZSA-N 1 2 349.434 3.813 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000780446915 1134602824 /nfs/dbraw/zinc/60/28/24/1134602824.db2.gz KSBDXKWXRUZJCE-FQEVSTJZSA-N 1 2 349.434 3.813 20 0 EHADLO Nc1cc(COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791838983 1134617773 /nfs/dbraw/zinc/61/77/73/1134617773.db2.gz PQNRDWFZUDBITP-NEPJUHHUSA-N 1 2 337.206 3.818 20 0 EHADLO COc1ccc(CCCCCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791838651 1134618163 /nfs/dbraw/zinc/61/81/63/1134618163.db2.gz JKEOYUDGPOEHKT-UHFFFAOYSA-N 1 2 328.412 3.519 20 0 EHADLO O=C(Nc1ccccc1-c1ccccc1)N1CCc2[nH+]ccn2CC1 ZINC001189711921 1134618324 /nfs/dbraw/zinc/61/83/24/1134618324.db2.gz FAKICEBGOZLJAH-UHFFFAOYSA-N 1 2 332.407 3.640 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000775336778 1134638788 /nfs/dbraw/zinc/63/87/88/1134638788.db2.gz QHFLVVGXVNZXFO-CYBMUJFWSA-N 1 2 341.386 3.947 20 0 EHADLO C[C@H](C(=O)OCc1nccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000747055351 1134642328 /nfs/dbraw/zinc/64/23/28/1134642328.db2.gz UJIKDTGPXNGTRO-OAHLLOKOSA-N 1 2 344.480 3.530 20 0 EHADLO CN(C)c1ccc(NCc2ccc(C3(C(F)(F)F)N=N3)cc2)[nH+]c1 ZINC001170291764 1134734246 /nfs/dbraw/zinc/73/42/46/1134734246.db2.gz DZXKBXWXLGVAPF-UHFFFAOYSA-N 1 2 335.333 3.941 20 0 EHADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC001190846928 1134759271 /nfs/dbraw/zinc/75/92/71/1134759271.db2.gz LOUUJNVNDDNAMG-UHFFFAOYSA-N 1 2 348.446 3.843 20 0 EHADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC001190846928 1134759280 /nfs/dbraw/zinc/75/92/80/1134759280.db2.gz LOUUJNVNDDNAMG-UHFFFAOYSA-N 1 2 348.446 3.843 20 0 EHADLO C[C@](O)(C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925568 1134765791 /nfs/dbraw/zinc/76/57/91/1134765791.db2.gz SOWJWMABAOXCIE-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO C[C@](O)(C[N@H+]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1 ZINC001190925568 1134765797 /nfs/dbraw/zinc/76/57/97/1134765797.db2.gz SOWJWMABAOXCIE-OALUTQOASA-N 1 2 349.833 3.760 20 0 EHADLO COc1c(C)cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC001191070704 1134787902 /nfs/dbraw/zinc/78/79/02/1134787902.db2.gz JXEJUXYQIAEJIZ-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO Cc1ccc(-n2ccn(C[N@H+]3CCCOC[C@@H]3C)c2=S)c(C)c1 ZINC000772821669 1134793829 /nfs/dbraw/zinc/79/38/29/1134793829.db2.gz MQYTYBLBZDHDGU-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO Cc1ccc(-n2ccn(C[N@@H+]3CCCOC[C@@H]3C)c2=S)c(C)c1 ZINC000772821669 1134793834 /nfs/dbraw/zinc/79/38/34/1134793834.db2.gz MQYTYBLBZDHDGU-INIZCTEOSA-N 1 2 331.485 3.693 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792902683 1134817985 /nfs/dbraw/zinc/81/79/85/1134817985.db2.gz MDONSOXJTJWUHS-RIEGTJTDSA-N 1 2 345.245 3.668 20 0 EHADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792902683 1134817989 /nfs/dbraw/zinc/81/79/89/1134817989.db2.gz MDONSOXJTJWUHS-RIEGTJTDSA-N 1 2 345.245 3.668 20 0 EHADLO Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000792928600 1134828398 /nfs/dbraw/zinc/82/83/98/1134828398.db2.gz WTKYYCHRZOIPCB-UHFFFAOYSA-N 1 2 325.243 3.800 20 0 EHADLO CN(C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001191276516 1134839042 /nfs/dbraw/zinc/83/90/42/1134839042.db2.gz APAYXPPYKJERRT-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO CN(C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001191276516 1134839048 /nfs/dbraw/zinc/83/90/48/1134839048.db2.gz APAYXPPYKJERRT-ZDUSSCGKSA-N 1 2 340.414 3.796 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H](F)CC1CCCCC1 ZINC000793237454 1134881793 /nfs/dbraw/zinc/88/17/93/1134881793.db2.gz LVCKGHOHVRJLSO-SFHVURJKSA-N 1 2 329.419 3.797 20 0 EHADLO Cc1nc(-c2ccccc2C)sc1C(=O)OCCc1c[nH+]cn1C ZINC000793243069 1134887070 /nfs/dbraw/zinc/88/70/70/1134887070.db2.gz RKBZYEHQVVXNSS-UHFFFAOYSA-N 1 2 341.436 3.560 20 0 EHADLO O=C(OCc1csc(Cl)n1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000793245319 1134887920 /nfs/dbraw/zinc/88/79/20/1134887920.db2.gz JGZXAJDVCIELRM-AWEZNQCLSA-N 1 2 336.844 3.504 20 0 EHADLO O=C(OCc1csc(Cl)n1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000793245319 1134887923 /nfs/dbraw/zinc/88/79/23/1134887923.db2.gz JGZXAJDVCIELRM-AWEZNQCLSA-N 1 2 336.844 3.504 20 0 EHADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(F)(F)Cc1ccccc1 ZINC000793308668 1134900127 /nfs/dbraw/zinc/90/01/27/1134900127.db2.gz HOQFNJOFIKTYQW-UHFFFAOYSA-N 1 2 327.334 3.893 20 0 EHADLO CCCCOc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365013 1134910691 /nfs/dbraw/zinc/91/06/91/1134910691.db2.gz DSTVRRGVWDQAQF-UHFFFAOYSA-N 1 2 348.874 3.908 20 0 EHADLO CCCCOc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365013 1134910700 /nfs/dbraw/zinc/91/07/00/1134910700.db2.gz DSTVRRGVWDQAQF-UHFFFAOYSA-N 1 2 348.874 3.908 20 0 EHADLO CCOC(=O)C1([NH2+]CC[C@H]2CCC[C@@H](C)C2)Cc2ccccc2C1 ZINC001191764067 1134910844 /nfs/dbraw/zinc/91/08/44/1134910844.db2.gz OGBSUEKCRSZIHM-IAGOWNOFSA-N 1 2 329.484 3.893 20 0 EHADLO c1cn(CCCCNc2nc(-c3cccnc3)nc3ccccc32)c[nH+]1 ZINC000775483228 1134924806 /nfs/dbraw/zinc/92/48/06/1134924806.db2.gz DPXKFVVFARZPJD-UHFFFAOYSA-N 1 2 344.422 3.781 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000793486379 1134940435 /nfs/dbraw/zinc/94/04/35/1134940435.db2.gz MNWBYWWCNVXCLU-CTNGQTDRSA-N 1 2 349.478 3.657 20 0 EHADLO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000793486379 1134940443 /nfs/dbraw/zinc/94/04/43/1134940443.db2.gz MNWBYWWCNVXCLU-CTNGQTDRSA-N 1 2 349.478 3.657 20 0 EHADLO O=C(NCCn1cc[nH+]c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001192006886 1134955729 /nfs/dbraw/zinc/95/57/29/1134955729.db2.gz IWPMRELVWBYMNG-UHFFFAOYSA-N 1 2 333.606 3.665 20 0 EHADLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@@H]1CCCCO1 ZINC000793583307 1134962422 /nfs/dbraw/zinc/96/24/22/1134962422.db2.gz DKWNQRJWWRIJSO-KRWDZBQOSA-N 1 2 333.863 3.586 20 0 EHADLO C[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)C[C@@H]1CCCCO1 ZINC000793583307 1134962425 /nfs/dbraw/zinc/96/24/25/1134962425.db2.gz DKWNQRJWWRIJSO-KRWDZBQOSA-N 1 2 333.863 3.586 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000775545069 1135048390 /nfs/dbraw/zinc/04/83/90/1135048390.db2.gz AJJFSFHPURQBJH-PWSUYJOCSA-N 1 2 341.381 3.749 20 0 EHADLO O=C1CCCCN1[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000804449749 1135079457 /nfs/dbraw/zinc/07/94/57/1135079457.db2.gz ASNJMUDILZSDOD-CQSZACIVSA-N 1 2 343.858 3.870 20 0 EHADLO CC(C)[C@H]([NH2+]C[C@H]1CC2(CO1)CCCCC2)C(=O)OC(C)(C)C ZINC001193082324 1135097189 /nfs/dbraw/zinc/09/71/89/1135097189.db2.gz QTUASXNPMXGBDI-CVEARBPZSA-N 1 2 325.493 3.682 20 0 EHADLO Cc1cccc2c1C[N@@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC001193355312 1135128491 /nfs/dbraw/zinc/12/84/91/1135128491.db2.gz QEBWJIRTJABJLT-IBGZPJMESA-N 1 2 340.854 3.812 20 0 EHADLO Cc1cccc2c1C[N@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC001193355312 1135128492 /nfs/dbraw/zinc/12/84/92/1135128492.db2.gz QEBWJIRTJABJLT-IBGZPJMESA-N 1 2 340.854 3.812 20 0 EHADLO C[C@@H](C[N@H+](Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001193355112 1135128848 /nfs/dbraw/zinc/12/88/48/1135128848.db2.gz MOTGHZRQDWODEF-LBPRGKRZSA-N 1 2 340.414 3.842 20 0 EHADLO C[C@@H](C[N@@H+](Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001193355112 1135128852 /nfs/dbraw/zinc/12/88/52/1135128852.db2.gz MOTGHZRQDWODEF-LBPRGKRZSA-N 1 2 340.414 3.842 20 0 EHADLO CCCCNc1cc(N[C@H]2CCCc3nc(C)sc32)nc(N)[nH+]1 ZINC000804603975 1135135348 /nfs/dbraw/zinc/13/53/48/1135135348.db2.gz ZJYRRIVKJORLTH-LBPRGKRZSA-N 1 2 332.477 3.525 20 0 EHADLO CCCCNc1cc(N[C@H]2CCCc3nc(C)sc32)[nH+]c(N)n1 ZINC000804603975 1135135352 /nfs/dbraw/zinc/13/53/52/1135135352.db2.gz ZJYRRIVKJORLTH-LBPRGKRZSA-N 1 2 332.477 3.525 20 0 EHADLO CCOC(=O)[C@H](CC)[N@H+](Cc1cnc(OC)c2ccccc12)C1CC1 ZINC001193562993 1135153192 /nfs/dbraw/zinc/15/31/92/1135153192.db2.gz HXCWSXRLNWDJRD-SFHVURJKSA-N 1 2 342.439 3.550 20 0 EHADLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cnc(OC)c2ccccc12)C1CC1 ZINC001193562993 1135153197 /nfs/dbraw/zinc/15/31/97/1135153197.db2.gz HXCWSXRLNWDJRD-SFHVURJKSA-N 1 2 342.439 3.550 20 0 EHADLO CC(C)C1(O)C[NH+](Cc2cccc3c(Br)cccc23)C1 ZINC001194030536 1135217051 /nfs/dbraw/zinc/21/70/51/1135217051.db2.gz PBILOAOTNKKJJA-UHFFFAOYSA-N 1 2 334.257 3.805 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194125793 1135229117 /nfs/dbraw/zinc/22/91/17/1135229117.db2.gz VMPDIKZVNGGCGW-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001194125793 1135229120 /nfs/dbraw/zinc/22/91/20/1135229120.db2.gz VMPDIKZVNGGCGW-AWEZNQCLSA-N 1 2 342.842 3.968 20 0 EHADLO CC[C@@]([NH2+]C[C@H]1CCCC12CCOCC2)(C(=O)OC)c1ccccc1 ZINC001194263127 1135251961 /nfs/dbraw/zinc/25/19/61/1135251961.db2.gz VGHMCLXFZGUEGU-NQIIRXRSSA-N 1 2 345.483 3.651 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001194599120 1135290553 /nfs/dbraw/zinc/29/05/53/1135290553.db2.gz KDLDBRSARYATBS-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001194599120 1135290558 /nfs/dbraw/zinc/29/05/58/1135290558.db2.gz KDLDBRSARYATBS-BEFAXECRSA-N 1 2 343.398 3.538 20 0 EHADLO CC[C@@H](C)COC(=O)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001194835490 1135328425 /nfs/dbraw/zinc/32/84/25/1135328425.db2.gz OYQCPJQDYRHZIF-CYBMUJFWSA-N 1 2 335.835 3.857 20 0 EHADLO Cc1cccc2[nH]c(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)nc21 ZINC001194880434 1135334284 /nfs/dbraw/zinc/33/42/84/1135334284.db2.gz VZYYXAULLUVLGY-UHFFFAOYSA-N 1 2 331.379 3.524 20 0 EHADLO Cc1cc2c(cccc2NC(=O)c2cccc(-c3c[nH+]cn3C)c2)nn1 ZINC001194908338 1135338665 /nfs/dbraw/zinc/33/86/65/1135338665.db2.gz CHLIVUZLSSYSIX-UHFFFAOYSA-N 1 2 343.390 3.591 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)c3ccccc3)CC2)cs1 ZINC000805866093 1135341695 /nfs/dbraw/zinc/34/16/95/1135341695.db2.gz GSGPHYRKRWMDIG-CQSZACIVSA-N 1 2 344.480 3.968 20 0 EHADLO COc1ccc(Cl)c(N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001195766510 1135462483 /nfs/dbraw/zinc/46/24/83/1135462483.db2.gz FOZHSKREKOGYME-UHFFFAOYSA-N 1 2 334.822 3.810 20 0 EHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669886 1135464342 /nfs/dbraw/zinc/46/43/42/1135464342.db2.gz SHILBXKGPTTWOT-HIFRSBDPSA-N 1 2 344.842 3.611 20 0 EHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775669886 1135464346 /nfs/dbraw/zinc/46/43/46/1135464346.db2.gz SHILBXKGPTTWOT-HIFRSBDPSA-N 1 2 344.842 3.611 20 0 EHADLO C[C@@H](Cc1nc(-c2ccsc2C(F)(F)F)no1)n1cc[nH+]c1 ZINC000867157191 1135512898 /nfs/dbraw/zinc/51/28/98/1135512898.db2.gz UCWAMEDJWHHJPL-QMMMGPOBSA-N 1 2 328.319 3.817 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)F)nc1 ZINC001196092154 1135515900 /nfs/dbraw/zinc/51/59/00/1135515900.db2.gz COXYURMCDNCYQO-UHFFFAOYSA-N 1 2 328.322 3.516 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182638 1135579476 /nfs/dbraw/zinc/57/94/76/1135579476.db2.gz YOKZFKFNJUQNDE-JKSUJKDBSA-N 1 2 347.484 3.766 20 0 EHADLO CC[C@@H](SC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867182638 1135579481 /nfs/dbraw/zinc/57/94/81/1135579481.db2.gz YOKZFKFNJUQNDE-JKSUJKDBSA-N 1 2 347.484 3.766 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1F ZINC001196773661 1135613203 /nfs/dbraw/zinc/61/32/03/1135613203.db2.gz RSOLRPVIJDGNID-CHWSQXEVSA-N 1 2 340.414 3.761 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1F ZINC001196773661 1135613205 /nfs/dbraw/zinc/61/32/05/1135613205.db2.gz RSOLRPVIJDGNID-CHWSQXEVSA-N 1 2 340.414 3.761 20 0 EHADLO C[N@@H+](Cc1cccc(Cl)c1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808135912 1135620847 /nfs/dbraw/zinc/62/08/47/1135620847.db2.gz WZJGFBNYIGEILY-KRWDZBQOSA-N 1 2 343.858 3.734 20 0 EHADLO C[N@H+](Cc1cccc(Cl)c1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808135912 1135620850 /nfs/dbraw/zinc/62/08/50/1135620850.db2.gz WZJGFBNYIGEILY-KRWDZBQOSA-N 1 2 343.858 3.734 20 0 EHADLO FC(F)(F)C1(c2ccc(NCc3nccc(Cl)n3)[nH+]c2)CC1 ZINC001170545067 1135621119 /nfs/dbraw/zinc/62/11/19/1135621119.db2.gz JDMNVYQOUSDSNS-UHFFFAOYSA-N 1 2 328.725 3.731 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808137273 1135622370 /nfs/dbraw/zinc/62/23/70/1135622370.db2.gz YDBQLVJGOAGHQL-DYVFJYSZSA-N 1 2 341.480 3.629 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808137273 1135622375 /nfs/dbraw/zinc/62/23/75/1135622375.db2.gz YDBQLVJGOAGHQL-DYVFJYSZSA-N 1 2 341.480 3.629 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000808137652 1135622390 /nfs/dbraw/zinc/62/23/90/1135622390.db2.gz ANPFAXQRKPKXCL-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1 ZINC000808137652 1135622395 /nfs/dbraw/zinc/62/23/95/1135622395.db2.gz ANPFAXQRKPKXCL-INIZCTEOSA-N 1 2 328.378 3.743 20 0 EHADLO O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001196969431 1135630117 /nfs/dbraw/zinc/63/01/17/1135630117.db2.gz XLAASKGBYJWEPP-AWEZNQCLSA-N 1 2 338.386 3.564 20 0 EHADLO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(=S)n1Cc1ccccc1 ZINC000808230672 1135633150 /nfs/dbraw/zinc/63/31/50/1135633150.db2.gz NJCKNKBIBXWRMV-SFHVURJKSA-N 1 2 342.512 3.850 20 0 EHADLO Cc1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c(=S)n1Cc1ccccc1 ZINC000808230672 1135633152 /nfs/dbraw/zinc/63/31/52/1135633152.db2.gz NJCKNKBIBXWRMV-SFHVURJKSA-N 1 2 342.512 3.850 20 0 EHADLO CCCOc1cncc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001131180638 1135634506 /nfs/dbraw/zinc/63/45/06/1135634506.db2.gz ZXCBFMRPIPGAKT-KRWDZBQOSA-N 1 2 347.846 3.765 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000102764679 1135645969 /nfs/dbraw/zinc/64/59/69/1135645969.db2.gz UJZFZNIRYZCNBX-CZUORRHYSA-N 1 2 346.471 3.968 20 0 EHADLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000102764679 1135645973 /nfs/dbraw/zinc/64/59/73/1135645973.db2.gz UJZFZNIRYZCNBX-CZUORRHYSA-N 1 2 346.471 3.968 20 0 EHADLO CCC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCc2cccnc21 ZINC000775761739 1135660020 /nfs/dbraw/zinc/66/00/20/1135660020.db2.gz WNCGYVSVOMBFNH-FQEVSTJZSA-N 1 2 347.466 3.952 20 0 EHADLO CCC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CCCc2cccnc21 ZINC000775761739 1135660024 /nfs/dbraw/zinc/66/00/24/1135660024.db2.gz WNCGYVSVOMBFNH-FQEVSTJZSA-N 1 2 347.466 3.952 20 0 EHADLO C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081402513 1135751512 /nfs/dbraw/zinc/75/15/12/1135751512.db2.gz QBLKQPBFKBRUIK-CQSZACIVSA-N 1 2 325.437 3.637 20 0 EHADLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Cl)nc1Cl ZINC001198441613 1135820467 /nfs/dbraw/zinc/82/04/67/1135820467.db2.gz PUVKXWKVATXEQM-UHFFFAOYSA-N 1 2 333.259 3.942 20 0 EHADLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Cl)nc1Cl ZINC001198441613 1135820469 /nfs/dbraw/zinc/82/04/69/1135820469.db2.gz PUVKXWKVATXEQM-UHFFFAOYSA-N 1 2 333.259 3.942 20 0 EHADLO CCCCCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC ZINC001170579982 1135840048 /nfs/dbraw/zinc/84/00/48/1135840048.db2.gz BRRIKHDPHJTENN-CABCVRRESA-N 1 2 329.481 3.598 20 0 EHADLO CC(C)c1nsc(C[NH2+][C@]2(CO)CC[C@@H](C)c3ccccc32)n1 ZINC001198694338 1135844336 /nfs/dbraw/zinc/84/43/36/1135844336.db2.gz CFYUMBZYMSCUEL-ACJLOTCBSA-N 1 2 331.485 3.536 20 0 EHADLO COCC[C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)c2ccccc21 ZINC001198685108 1135846854 /nfs/dbraw/zinc/84/68/54/1135846854.db2.gz HTUAECHAXLMVHS-MRXNPFEDSA-N 1 2 326.440 3.929 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCNC(=O)OC(C)(C)C)nc2c1 ZINC000809566575 1135851352 /nfs/dbraw/zinc/85/13/52/1135851352.db2.gz NZCPLWZSMIUCRP-INIZCTEOSA-N 1 2 344.459 3.533 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCNC(=O)OC(C)(C)C)nc2c1 ZINC000809566575 1135851356 /nfs/dbraw/zinc/85/13/56/1135851356.db2.gz NZCPLWZSMIUCRP-INIZCTEOSA-N 1 2 344.459 3.533 20 0 EHADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809605701 1135856644 /nfs/dbraw/zinc/85/66/44/1135856644.db2.gz GJKLJGJIQZIHJA-ZDUSSCGKSA-N 1 2 348.468 3.827 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCc3c2cccc3C)c1C ZINC000104793918 1135870664 /nfs/dbraw/zinc/87/06/64/1135870664.db2.gz XGFDDQDCRQKCTN-KRWDZBQOSA-N 1 2 339.439 3.502 20 0 EHADLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1ccccc1OC(F)F ZINC001199085917 1135879654 /nfs/dbraw/zinc/87/96/54/1135879654.db2.gz PHQVDWUTWNTIFB-UHFFFAOYSA-N 1 2 336.169 3.618 20 0 EHADLO C[C@H](CO)[N@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000809745981 1135884437 /nfs/dbraw/zinc/88/44/37/1135884437.db2.gz PEYZPGKSTVGOIN-CYBMUJFWSA-N 1 2 335.879 3.636 20 0 EHADLO C[C@H](CO)[N@@H+](C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000809745981 1135884440 /nfs/dbraw/zinc/88/44/40/1135884440.db2.gz PEYZPGKSTVGOIN-CYBMUJFWSA-N 1 2 335.879 3.636 20 0 EHADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)o1 ZINC000810128905 1135924842 /nfs/dbraw/zinc/92/48/42/1135924842.db2.gz BDJLACBNXSXNII-ZIAGYGMSSA-N 1 2 342.443 3.561 20 0 EHADLO Cc1cn2cc(NC(=O)N3CCC=C(c4ccccc4)C3)ccc2[nH+]1 ZINC001199767989 1135926921 /nfs/dbraw/zinc/92/69/21/1135926921.db2.gz PHFXJXYFSPAULP-UHFFFAOYSA-N 1 2 332.407 3.964 20 0 EHADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000810180223 1135934913 /nfs/dbraw/zinc/93/49/13/1135934913.db2.gz QZPNMDXJFMDYMJ-CQSZACIVSA-N 1 2 339.439 3.920 20 0 EHADLO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(Br)nc3)[nH]c2c1 ZINC000810222274 1135939965 /nfs/dbraw/zinc/93/99/65/1135939965.db2.gz YEUVPEBWKATLSK-LLVKDONJSA-N 1 2 345.244 3.880 20 0 EHADLO COCCc1nc2cc(NCc3c[nH+]c4ccc(C)cn34)ccc2o1 ZINC001200902091 1135968077 /nfs/dbraw/zinc/96/80/77/1135968077.db2.gz PJIYCPFDRSYYKO-UHFFFAOYSA-N 1 2 336.395 3.585 20 0 EHADLO COc1cc(C[NH2+]Cc2ccon2)ccc1OCc1cccs1 ZINC000747622177 1135989251 /nfs/dbraw/zinc/98/92/51/1135989251.db2.gz MGCUZZGSERCONU-UHFFFAOYSA-N 1 2 330.409 3.614 20 0 EHADLO COc1cc(C[NH2+]Cc2ccon2)ccc1OCc1ccc(F)cc1 ZINC000747622509 1135990549 /nfs/dbraw/zinc/99/05/49/1135990549.db2.gz NCNFRWHPQIWCQJ-UHFFFAOYSA-N 1 2 342.370 3.691 20 0 EHADLO Fc1cc(NCc2cnc3ccc(Cl)cn23)ccc1-n1cc[nH+]c1 ZINC001201257525 1136001385 /nfs/dbraw/zinc/00/13/85/1136001385.db2.gz QROVZNOEZORJQV-UHFFFAOYSA-N 1 2 341.777 3.925 20 0 EHADLO Nc1ccc(Nc2cc(-c3ccc(Br)cc3)no2)c[nH+]1 ZINC001201272510 1136002727 /nfs/dbraw/zinc/00/27/27/1136002727.db2.gz PLOONMLXSSSODG-UHFFFAOYSA-N 1 2 331.173 3.825 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1sccc1Cl ZINC000810750328 1136002883 /nfs/dbraw/zinc/00/28/83/1136002883.db2.gz FNIQPZPQKCECQE-UHFFFAOYSA-N 1 2 346.839 3.932 20 0 EHADLO Cn1c[nH+]cc1CNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000810754987 1136003443 /nfs/dbraw/zinc/00/34/43/1136003443.db2.gz KLBPQLSCCZQPNK-UHFFFAOYSA-N 1 2 340.235 3.872 20 0 EHADLO Cc1cccn2cc(CCNC(=S)Nc3cccc(Cl)c3)[nH+]c12 ZINC000747659292 1136027139 /nfs/dbraw/zinc/02/71/39/1136027139.db2.gz QHWMXPCKGXGOPT-UHFFFAOYSA-N 1 2 344.871 3.825 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](C4CCC4)CC3)[nH+]c12 ZINC001132683222 1136059255 /nfs/dbraw/zinc/05/92/55/1136059255.db2.gz IQDFWAGTOMAXNA-KRWDZBQOSA-N 1 2 325.456 3.614 20 0 EHADLO COC(=O)c1ccc(CNc2c[nH+]ccc2OC(C)(C)C)c(F)c1 ZINC001201803233 1136064580 /nfs/dbraw/zinc/06/45/80/1136064580.db2.gz OTYVRHMMUHJNJJ-UHFFFAOYSA-N 1 2 332.375 3.797 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(F)c(C(F)F)c3)[nH+]c12 ZINC001132723105 1136068401 /nfs/dbraw/zinc/06/84/01/1136068401.db2.gz GHKSWLJEBTULBR-UHFFFAOYSA-N 1 2 333.313 3.901 20 0 EHADLO CCc1cccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811327105 1136074767 /nfs/dbraw/zinc/07/47/67/1136074767.db2.gz YQOYDPVANFNELC-UHFFFAOYSA-N 1 2 334.419 3.780 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1Cl ZINC001132815217 1136088108 /nfs/dbraw/zinc/08/81/08/1136088108.db2.gz IFYZEXKDBUZZQQ-KRWDZBQOSA-N 1 2 325.799 3.708 20 0 EHADLO COc1cccc(NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001202274606 1136121395 /nfs/dbraw/zinc/12/13/95/1136121395.db2.gz FTEZUYWCWJMEQP-UHFFFAOYSA-N 1 2 336.395 3.545 20 0 EHADLO Cc1ccc2[nH+]cc(CNC(=O)Nc3cccc(C(F)(F)F)c3)n2c1 ZINC001202298547 1136125041 /nfs/dbraw/zinc/12/50/41/1136125041.db2.gz JOVHJJOATLIGIU-UHFFFAOYSA-N 1 2 348.328 3.983 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811730311 1136131465 /nfs/dbraw/zinc/13/14/65/1136131465.db2.gz IRFQVFUCAOTLLH-NVXWUHKLSA-N 1 2 340.492 3.716 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811730311 1136131469 /nfs/dbraw/zinc/13/14/69/1136131469.db2.gz IRFQVFUCAOTLLH-NVXWUHKLSA-N 1 2 340.492 3.716 20 0 EHADLO O=C1[C@H](Cc2ccccc2)CCN1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000811765655 1136136968 /nfs/dbraw/zinc/13/69/68/1136136968.db2.gz LENOPCGTHXGSHX-IBGZPJMESA-N 1 2 346.474 3.583 20 0 EHADLO O=C1[C@H](Cc2ccccc2)CCN1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000811765655 1136136970 /nfs/dbraw/zinc/13/69/70/1136136970.db2.gz LENOPCGTHXGSHX-IBGZPJMESA-N 1 2 346.474 3.583 20 0 EHADLO Cc1ccc(NC(=O)N[C@@H]2CCCc3ccccc3C2)c(N(C)C)[nH+]1 ZINC001202405076 1136137688 /nfs/dbraw/zinc/13/76/88/1136137688.db2.gz PPYUSWDZOPZXFE-QGZVFWFLSA-N 1 2 338.455 3.525 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000776312175 1136152227 /nfs/dbraw/zinc/15/22/27/1136152227.db2.gz QPIMPFOEYUNAOE-GFCCVEGCSA-N 1 2 332.469 3.890 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)N(C[C@H]2CCC[C@@H](C)C2)OC)c1C ZINC000812017740 1136164441 /nfs/dbraw/zinc/16/44/41/1136164441.db2.gz JYXLQFFILBQCKP-CJNGLKHVSA-N 1 2 349.475 3.606 20 0 EHADLO O=C(Oc1cccc(Cl)c1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000776392953 1136175023 /nfs/dbraw/zinc/17/50/23/1136175023.db2.gz JDJYWOPTWQWRCG-UHFFFAOYSA-N 1 2 330.746 3.943 20 0 EHADLO C[N@@H+](Cc1ccc(F)cc1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812279426 1136191078 /nfs/dbraw/zinc/19/10/78/1136191078.db2.gz WNTZMYHUWXPPJM-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO C[N@H+](Cc1ccc(F)cc1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812279426 1136191081 /nfs/dbraw/zinc/19/10/81/1136191081.db2.gz WNTZMYHUWXPPJM-INIZCTEOSA-N 1 2 346.833 3.885 20 0 EHADLO C[C@H]1C[N@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290808 1136192239 /nfs/dbraw/zinc/19/22/39/1136192239.db2.gz JTBOGGDMOZKAAL-GXTWGEPZSA-N 1 2 342.817 3.591 20 0 EHADLO C[C@H]1C[N@@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CCC1(F)F ZINC000812290808 1136192240 /nfs/dbraw/zinc/19/22/40/1136192240.db2.gz JTBOGGDMOZKAAL-GXTWGEPZSA-N 1 2 342.817 3.591 20 0 EHADLO C[N@@H+]1CCCc2cc(NCc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000850208825 1136220670 /nfs/dbraw/zinc/22/06/70/1136220670.db2.gz DLHQWTUCIBODHL-FQEVSTJZSA-N 1 2 338.451 3.849 20 0 EHADLO C[N@H+]1CCCc2cc(NCc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000850208825 1136220673 /nfs/dbraw/zinc/22/06/73/1136220673.db2.gz DLHQWTUCIBODHL-FQEVSTJZSA-N 1 2 338.451 3.849 20 0 EHADLO COc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccc1OCCC(C)C ZINC000850352462 1136239239 /nfs/dbraw/zinc/23/92/39/1136239239.db2.gz XEGRJTAOBWRNHZ-ZBFHGGJFSA-N 1 2 344.459 3.507 20 0 EHADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)c2ncnn21 ZINC000850352201 1136239566 /nfs/dbraw/zinc/23/95/66/1136239566.db2.gz ONUPPHRTKHKBNH-JOYOIKCWSA-N 1 2 328.363 3.686 20 0 EHADLO COc1cc(C)sc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399682 1136376552 /nfs/dbraw/zinc/37/65/52/1136376552.db2.gz ZJVOJXCDPXVHEF-UHFFFAOYSA-N 1 2 346.452 3.534 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cc2occc2s1 ZINC000851399681 1136376992 /nfs/dbraw/zinc/37/69/92/1136376992.db2.gz ZJQRVTNPKHAHLM-UHFFFAOYSA-N 1 2 342.420 3.963 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)C1(C(F)F)CCCC1 ZINC000851400537 1136377015 /nfs/dbraw/zinc/37/70/15/1136377015.db2.gz GZGMSPLCASSVHR-UHFFFAOYSA-N 1 2 338.398 3.667 20 0 EHADLO O=C(O[C@H]1CCc2ccc(F)cc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000747897636 1136402283 /nfs/dbraw/zinc/40/22/83/1136402283.db2.gz QYPOCERSKOHDNP-IBGZPJMESA-N 1 2 336.366 3.915 20 0 EHADLO CC(C)(CO)[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccnc1 ZINC000852092579 1136433180 /nfs/dbraw/zinc/43/31/80/1136433180.db2.gz RPRDYZJGLGRUSR-OAHLLOKOSA-N 1 2 340.254 3.633 20 0 EHADLO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000814373841 1136446940 /nfs/dbraw/zinc/44/69/40/1136446940.db2.gz XBTSNDCZCCZSII-IAGOWNOFSA-N 1 2 345.487 3.945 20 0 EHADLO COc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)cc3)c(C)nc2c1 ZINC000814830651 1136512556 /nfs/dbraw/zinc/51/25/56/1136512556.db2.gz FZBMNLODIJSDLV-UHFFFAOYSA-N 1 2 345.406 3.745 20 0 EHADLO CCc1nn(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(=S)s1 ZINC000853518735 1136539689 /nfs/dbraw/zinc/53/96/89/1136539689.db2.gz MYZDWXHXVIYFJP-UHFFFAOYSA-N 1 2 341.399 3.560 20 0 EHADLO C[C@H]1C[N@H+](C[C@H](O)c2cccc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000815056016 1136540731 /nfs/dbraw/zinc/54/07/31/1136540731.db2.gz YGHOJWMCTIVRPR-AFAVFJNCSA-N 1 2 339.357 3.525 20 0 EHADLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000815056016 1136540732 /nfs/dbraw/zinc/54/07/32/1136540732.db2.gz YGHOJWMCTIVRPR-AFAVFJNCSA-N 1 2 339.357 3.525 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853555221 1136544259 /nfs/dbraw/zinc/54/42/59/1136544259.db2.gz USHCLBPEFCNJTM-IBGZPJMESA-N 1 2 337.467 3.770 20 0 EHADLO O=c1ccc(-c2ccccc2)nn1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853555221 1136544261 /nfs/dbraw/zinc/54/42/61/1136544261.db2.gz USHCLBPEFCNJTM-IBGZPJMESA-N 1 2 337.467 3.770 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1F ZINC000853563372 1136544777 /nfs/dbraw/zinc/54/47/77/1136544777.db2.gz SZLAFPYIVJBXIT-SJLPKXTDSA-N 1 2 346.446 3.576 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2C2CC2)cc1F ZINC000853563372 1136544779 /nfs/dbraw/zinc/54/47/79/1136544779.db2.gz SZLAFPYIVJBXIT-SJLPKXTDSA-N 1 2 346.446 3.576 20 0 EHADLO Cc1cc2ncn(C[N@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)c2cc1C ZINC000853614806 1136549425 /nfs/dbraw/zinc/54/94/25/1136549425.db2.gz MYCSPHHZPDZQNE-KBPBESRZSA-N 1 2 341.377 3.652 20 0 EHADLO Cc1cc2ncn(C[N@@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)c2cc1C ZINC000853614806 1136549428 /nfs/dbraw/zinc/54/94/28/1136549428.db2.gz MYCSPHHZPDZQNE-KBPBESRZSA-N 1 2 341.377 3.652 20 0 EHADLO C[N@H+](C[C@@H]1CCc2ccccc21)Cn1nc(-c2ccccc2)ccc1=O ZINC000853611300 1136549533 /nfs/dbraw/zinc/54/95/33/1136549533.db2.gz XTXKILGFMQETFH-IBGZPJMESA-N 1 2 345.446 3.530 20 0 EHADLO C[N@@H+](C[C@@H]1CCc2ccccc21)Cn1nc(-c2ccccc2)ccc1=O ZINC000853611300 1136549537 /nfs/dbraw/zinc/54/95/37/1136549537.db2.gz XTXKILGFMQETFH-IBGZPJMESA-N 1 2 345.446 3.530 20 0 EHADLO CN(Cc1ccccc1OCc1ccc[nH+]c1N)C(=O)OC(C)(C)C ZINC000853692596 1136555859 /nfs/dbraw/zinc/55/58/59/1136555859.db2.gz CLUNDMDVPVMWRT-UHFFFAOYSA-N 1 2 343.427 3.610 20 0 EHADLO CC[C@H](C)N(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000853790692 1136563956 /nfs/dbraw/zinc/56/39/56/1136563956.db2.gz IVFKBDAIHMDEBT-INIZCTEOSA-N 1 2 346.519 3.551 20 0 EHADLO CC1(C)C[N@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1ccncc1 ZINC000854038805 1136582581 /nfs/dbraw/zinc/58/25/81/1136582581.db2.gz CWINBDVVOGPZOV-ROUUACIJSA-N 1 2 343.471 3.618 20 0 EHADLO CC1(C)C[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)[C@H]1c1ccncc1 ZINC000854038805 1136582584 /nfs/dbraw/zinc/58/25/84/1136582584.db2.gz CWINBDVVOGPZOV-ROUUACIJSA-N 1 2 343.471 3.618 20 0 EHADLO CSCC1(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000854095528 1136587478 /nfs/dbraw/zinc/58/74/78/1136587478.db2.gz WKMZSMWVQVUVAY-UHFFFAOYSA-N 1 2 326.425 3.608 20 0 EHADLO c1cn(CCOc2cccc(-c3cnn([C@H]4CCCCO4)c3)c2)c[nH+]1 ZINC000854207018 1136597763 /nfs/dbraw/zinc/59/77/63/1136597763.db2.gz DTTGDUUONJAZHA-LJQANCHMSA-N 1 2 338.411 3.525 20 0 EHADLO CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cccc3[nH+]ccn32)CO1 ZINC000855333728 1136687800 /nfs/dbraw/zinc/68/78/00/1136687800.db2.gz AGJUCYSQNWYCPN-QGZVFWFLSA-N 1 2 349.434 3.544 20 0 EHADLO Cc1nc(NC(=O)c2cccc3[nH+]ccn32)sc1Cc1ccccc1 ZINC000776831967 1136726417 /nfs/dbraw/zinc/72/64/17/1136726417.db2.gz ZWXCUEUUJKLVOD-UHFFFAOYSA-N 1 2 348.431 3.942 20 0 EHADLO CCOC(=O)[C@@H](F)C1C[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000816635881 1136743170 /nfs/dbraw/zinc/74/31/70/1136743170.db2.gz XYEMWIUAERFDEG-HNNXBMFYSA-N 1 2 348.245 3.759 20 0 EHADLO COc1ccc2c(c1)OCCN(Cc1c[nH+]c(C)n1-c1ccccc1)C2 ZINC000338996759 1136791342 /nfs/dbraw/zinc/79/13/42/1136791342.db2.gz HCRPYSSCYAOUBJ-UHFFFAOYSA-N 1 2 349.434 3.584 20 0 EHADLO O=C(Nc1cccc2ccccc21)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135880965 1136797370 /nfs/dbraw/zinc/79/73/70/1136797370.db2.gz GFZXFNIOQGPIOS-UHFFFAOYSA-N 1 2 329.359 3.983 20 0 EHADLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000338997591 1136798502 /nfs/dbraw/zinc/79/85/02/1136798502.db2.gz PIOKDTGFOUACAD-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000338997591 1136798505 /nfs/dbraw/zinc/79/85/05/1136798505.db2.gz PIOKDTGFOUACAD-UHFFFAOYSA-N 1 2 332.488 3.554 20 0 EHADLO C[C@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)[C@H](c2ccco2)C1 ZINC000856727454 1136804078 /nfs/dbraw/zinc/80/40/78/1136804078.db2.gz NJURBFDNOFEDHB-RDJZCZTQSA-N 1 2 339.501 3.800 20 0 EHADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)[C@H](c2ccco2)C1 ZINC000856727454 1136804084 /nfs/dbraw/zinc/80/40/84/1136804084.db2.gz NJURBFDNOFEDHB-RDJZCZTQSA-N 1 2 339.501 3.800 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406001 1136805318 /nfs/dbraw/zinc/80/53/18/1136805318.db2.gz HQFWQZBUGIBERW-OALUTQOASA-N 1 2 343.492 3.950 20 0 EHADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1)c1cccs1 ZINC000817406001 1136805323 /nfs/dbraw/zinc/80/53/23/1136805323.db2.gz HQFWQZBUGIBERW-OALUTQOASA-N 1 2 343.492 3.950 20 0 EHADLO Cc1cc(CNC(=O)c2cccnc2SC(F)(F)F)cc(C)[nH+]1 ZINC000817459414 1136808395 /nfs/dbraw/zinc/80/83/95/1136808395.db2.gz YPJARFIFZDNTLB-UHFFFAOYSA-N 1 2 341.358 3.635 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl)c1cnccn1 ZINC000856779391 1136810773 /nfs/dbraw/zinc/81/07/73/1136810773.db2.gz XGFRUUWUIUNJIG-RKDXNWHRSA-N 1 2 330.741 3.956 20 0 EHADLO Cc1cc([NH2+][C@@H]2CCc3cccnc3CC2)ccc1N1CCOCC1 ZINC000817585806 1136825908 /nfs/dbraw/zinc/82/59/08/1136825908.db2.gz MYJOAWOPSLUSLB-GOSISDBHSA-N 1 2 337.467 3.586 20 0 EHADLO COCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000856988911 1136830518 /nfs/dbraw/zinc/83/05/18/1136830518.db2.gz OWUIOQFBMQFSPN-UHFFFAOYSA-N 1 2 328.412 3.512 20 0 EHADLO C/C(=C\C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1C ZINC001136026779 1136840506 /nfs/dbraw/zinc/84/05/06/1136840506.db2.gz ITILFJLZILPURE-GHRIWEEISA-N 1 2 340.492 3.804 20 0 EHADLO C[N@H+](CN1CCC1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000857236364 1136856152 /nfs/dbraw/zinc/85/61/52/1136856152.db2.gz ZZJNAPWRDORSJF-GOSISDBHSA-N 1 2 332.806 3.690 20 0 EHADLO C[N@@H+](CN1CCC1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000857236364 1136856154 /nfs/dbraw/zinc/85/61/54/1136856154.db2.gz ZZJNAPWRDORSJF-GOSISDBHSA-N 1 2 332.806 3.690 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(OCC2CCOCC2)cc1 ZINC000818192526 1136865087 /nfs/dbraw/zinc/86/50/87/1136865087.db2.gz WBLROPWVGRFOLW-UHFFFAOYSA-N 1 2 329.444 3.882 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000818259695 1136868814 /nfs/dbraw/zinc/86/88/14/1136868814.db2.gz UQIIITQNMRUPEW-GOSISDBHSA-N 1 2 348.446 3.800 20 0 EHADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000818259695 1136868815 /nfs/dbraw/zinc/86/88/15/1136868815.db2.gz UQIIITQNMRUPEW-GOSISDBHSA-N 1 2 348.446 3.800 20 0 EHADLO COc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c(Cl)c1 ZINC000818333642 1136871467 /nfs/dbraw/zinc/87/14/67/1136871467.db2.gz ZKKKHZQIMWAYRH-SNVBAGLBSA-N 1 2 325.865 3.722 20 0 EHADLO COC(=O)c1occc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000339007431 1136909820 /nfs/dbraw/zinc/90/98/20/1136909820.db2.gz PWJXWHCOGRZOQZ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO COC(=O)c1occc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000339007431 1136909823 /nfs/dbraw/zinc/90/98/23/1136909823.db2.gz PWJXWHCOGRZOQZ-UHFFFAOYSA-N 1 2 327.302 3.717 20 0 EHADLO Clc1ccc2nc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cn2c1 ZINC000857901127 1136919496 /nfs/dbraw/zinc/91/94/96/1136919496.db2.gz JRRDBQAXNAKLLO-ZDUSSCGKSA-N 1 2 333.222 3.813 20 0 EHADLO CSc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(Cl)cc1Cl ZINC000857982346 1136926988 /nfs/dbraw/zinc/92/69/88/1136926988.db2.gz IBHZZZUAMHLEDP-LLVKDONJSA-N 1 2 342.251 3.787 20 0 EHADLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986047 1136927571 /nfs/dbraw/zinc/92/75/71/1136927571.db2.gz LAEUGRQQBHHBGK-RHSMWYFYSA-N 1 2 326.444 3.523 20 0 EHADLO c1sc(C2CC2)nc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016407 1136931628 /nfs/dbraw/zinc/93/16/28/1136931628.db2.gz LEGFMTPIRAKKNH-KRWDZBQOSA-N 1 2 341.480 3.946 20 0 EHADLO c1sc(C2CC2)nc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016407 1136931629 /nfs/dbraw/zinc/93/16/29/1136931629.db2.gz LEGFMTPIRAKKNH-KRWDZBQOSA-N 1 2 341.480 3.946 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000858039892 1136934106 /nfs/dbraw/zinc/93/41/06/1136934106.db2.gz LDYVSYCOHMSQMJ-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000858039892 1136934109 /nfs/dbraw/zinc/93/41/09/1136934109.db2.gz LDYVSYCOHMSQMJ-LBPRGKRZSA-N 1 2 338.238 3.745 20 0 EHADLO CCCCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cs1 ZINC000858035836 1136934238 /nfs/dbraw/zinc/93/42/38/1136934238.db2.gz LNGABIYUFYHADQ-INIZCTEOSA-N 1 2 331.485 3.842 20 0 EHADLO CCCCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cs1 ZINC000858035836 1136934241 /nfs/dbraw/zinc/93/42/41/1136934241.db2.gz LNGABIYUFYHADQ-INIZCTEOSA-N 1 2 331.485 3.842 20 0 EHADLO C[C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000819315990 1136934564 /nfs/dbraw/zinc/93/45/64/1136934564.db2.gz CDSXVJKDMOMQHV-UZLBHIALSA-N 1 2 343.515 3.664 20 0 EHADLO Cc1cc(NC[C@@H](O)COc2ccccc2Cl)ccc1[NH+](C)C ZINC000819408007 1136936817 /nfs/dbraw/zinc/93/68/17/1136936817.db2.gz HKGCEOALHKOXBX-OAHLLOKOSA-N 1 2 334.847 3.566 20 0 EHADLO Cn1cc(C[NH2+]C2(c3ccccc3Cl)CC2)c(Br)n1 ZINC000858181246 1136947191 /nfs/dbraw/zinc/94/71/91/1136947191.db2.gz JNNQCTRFGULRNJ-UHFFFAOYSA-N 1 2 340.652 3.615 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H](O)C1CCCCCCC1 ZINC001136270240 1136963553 /nfs/dbraw/zinc/96/35/53/1136963553.db2.gz MDGNNNLEGQFQFG-GOSISDBHSA-N 1 2 327.428 3.532 20 0 EHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000858437043 1136967677 /nfs/dbraw/zinc/96/76/77/1136967677.db2.gz CICNCYJKMHULRJ-HNNXBMFYSA-N 1 2 327.428 3.680 20 0 EHADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000820675836 1137000627 /nfs/dbraw/zinc/00/06/27/1137000627.db2.gz KDWKDJXKOVJALX-LRDDRELGSA-N 1 2 327.428 3.595 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000820680198 1137000794 /nfs/dbraw/zinc/00/07/94/1137000794.db2.gz FSGBOKUGWAIOLG-FQEVSTJZSA-N 1 2 341.430 3.623 20 0 EHADLO CC1(C)C[C@@]1(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000820680198 1137000796 /nfs/dbraw/zinc/00/07/96/1137000796.db2.gz FSGBOKUGWAIOLG-FQEVSTJZSA-N 1 2 341.430 3.623 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccnc(F)c1 ZINC000859257846 1137009678 /nfs/dbraw/zinc/00/96/78/1137009678.db2.gz GEGHUVFYVSRFCI-PMPSAXMXSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccnc(F)c1 ZINC000859257846 1137009680 /nfs/dbraw/zinc/00/96/80/1137009680.db2.gz GEGHUVFYVSRFCI-PMPSAXMXSA-N 1 2 334.435 3.696 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000821331625 1137022727 /nfs/dbraw/zinc/02/27/27/1137022727.db2.gz BDQJGQVWDOYVHW-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO CC(C)c1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000821331625 1137022728 /nfs/dbraw/zinc/02/27/28/1137022728.db2.gz BDQJGQVWDOYVHW-UHFFFAOYSA-N 1 2 335.451 3.933 20 0 EHADLO COc1cccc([C@H](O)C2CC[NH+](C/C(Cl)=C\Cl)CC2)c1 ZINC000860139539 1137046073 /nfs/dbraw/zinc/04/60/73/1137046073.db2.gz VSEOVSLLFLXOKD-HFQYIWAZSA-N 1 2 330.255 3.760 20 0 EHADLO C[N@H+](Cc1ncc(C(F)(F)F)s1)C[C@@](C)(O)c1ccccc1 ZINC000822515604 1137063970 /nfs/dbraw/zinc/06/39/70/1137063970.db2.gz CMASYYAHSJBMLU-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO C[N@@H+](Cc1ncc(C(F)(F)F)s1)C[C@@](C)(O)c1ccccc1 ZINC000822515604 1137063972 /nfs/dbraw/zinc/06/39/72/1137063972.db2.gz CMASYYAHSJBMLU-CQSZACIVSA-N 1 2 330.375 3.501 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCCCc2ccccc21 ZINC001136604430 1137066102 /nfs/dbraw/zinc/06/61/02/1137066102.db2.gz DNGTURPGSSGMJJ-UHFFFAOYSA-N 1 2 333.391 3.561 20 0 EHADLO Cc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1-n1cc[nH+]c1 ZINC001136624755 1137072869 /nfs/dbraw/zinc/07/28/69/1137072869.db2.gz IJRGFNWIHZNZIA-UHFFFAOYSA-N 1 2 345.406 3.628 20 0 EHADLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1coc(C(F)F)c1 ZINC000860878979 1137082984 /nfs/dbraw/zinc/08/29/84/1137082984.db2.gz MDFUONSGIJUOPJ-UHFFFAOYSA-N 1 2 336.338 3.686 20 0 EHADLO Cc1cc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)nc2ccccc12 ZINC000823075254 1137086086 /nfs/dbraw/zinc/08/60/86/1137086086.db2.gz NMTQEYDQSRJTOM-LJQANCHMSA-N 1 2 342.402 3.828 20 0 EHADLO O=C(OCc1ccc2cc[nH]c2n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000861030615 1137088409 /nfs/dbraw/zinc/08/84/09/1137088409.db2.gz SARJCUKDXNZPFZ-LJQANCHMSA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccc2cc[nH]c2n1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000861030615 1137088411 /nfs/dbraw/zinc/08/84/11/1137088411.db2.gz SARJCUKDXNZPFZ-LJQANCHMSA-N 1 2 349.434 3.661 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(SC)oc2C)n1 ZINC000823223855 1137091313 /nfs/dbraw/zinc/09/13/13/1137091313.db2.gz BCWKBKURYOJKLY-UHFFFAOYSA-N 1 2 339.486 3.861 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)c2oc(SC)cc2C)n1 ZINC000823224032 1137091337 /nfs/dbraw/zinc/09/13/37/1137091337.db2.gz FMDFGHBSTKRDQY-UHFFFAOYSA-N 1 2 339.486 3.861 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)c3c(C4CC4)cnn3C)c2)[nH+]c1C ZINC000823353198 1137095950 /nfs/dbraw/zinc/09/59/50/1137095950.db2.gz NADCUKYBQZNPJR-UHFFFAOYSA-N 1 2 335.411 3.557 20 0 EHADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000823382206 1137097347 /nfs/dbraw/zinc/09/73/47/1137097347.db2.gz VCUCVLJQNYIWHR-TUVASFSCSA-N 1 2 349.475 3.875 20 0 EHADLO C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823505917 1137101370 /nfs/dbraw/zinc/10/13/70/1137101370.db2.gz JPDZXMMXJQSLFI-FQEVSTJZSA-N 1 2 337.398 3.939 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000861348033 1137102374 /nfs/dbraw/zinc/10/23/74/1137102374.db2.gz MUWYKPJAOTWJPX-QGZVFWFLSA-N 1 2 329.488 3.733 20 0 EHADLO Cc1ccccc1[C@H](C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001136729011 1137102502 /nfs/dbraw/zinc/10/25/02/1137102502.db2.gz PEWPWWJXUWXFLV-CRLZUZNUSA-N 1 2 348.490 3.956 20 0 EHADLO Fc1c[nH]c2nc[nH+]c(NCc3cc(-c4cccc(Cl)c4)no3)c12 ZINC001171021185 1137105303 /nfs/dbraw/zinc/10/53/03/1137105303.db2.gz VSADYMBIDZWTJW-UHFFFAOYSA-N 1 2 343.749 3.969 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000777222880 1137121993 /nfs/dbraw/zinc/12/19/93/1137121993.db2.gz TYTJGRHXRCEIDS-AWEZNQCLSA-N 1 2 328.815 3.578 20 0 EHADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000777222880 1137121995 /nfs/dbraw/zinc/12/19/95/1137121995.db2.gz TYTJGRHXRCEIDS-AWEZNQCLSA-N 1 2 328.815 3.578 20 0 EHADLO O=C(N[C@@H]1C[C@H]1Cc1ccccc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136833784 1137126621 /nfs/dbraw/zinc/12/66/21/1137126621.db2.gz BPKPJSSHIZJWDG-YSTOQKLRSA-N 1 2 349.478 3.800 20 0 EHADLO Fc1cc(F)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Br ZINC001136850799 1137131335 /nfs/dbraw/zinc/13/13/35/1137131335.db2.gz GPOKBTBIXSUWSK-BDAKNGLRSA-N 1 2 338.142 3.814 20 0 EHADLO Fc1cc(F)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Br ZINC001136850799 1137131336 /nfs/dbraw/zinc/13/13/36/1137131336.db2.gz GPOKBTBIXSUWSK-BDAKNGLRSA-N 1 2 338.142 3.814 20 0 EHADLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)C[C@@H]12 ZINC001136856515 1137132683 /nfs/dbraw/zinc/13/26/83/1137132683.db2.gz KOYNKRQSJQUMLU-MWLCHTKSSA-N 1 2 344.199 3.528 20 0 EHADLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)C[C@@H]12 ZINC001136856515 1137132685 /nfs/dbraw/zinc/13/26/85/1137132685.db2.gz KOYNKRQSJQUMLU-MWLCHTKSSA-N 1 2 344.199 3.528 20 0 EHADLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136858747 1137133052 /nfs/dbraw/zinc/13/30/52/1137133052.db2.gz XVGIWCTTWXOACK-UHFFFAOYSA-N 1 2 326.827 3.872 20 0 EHADLO OCc1ccc2c(c1)CC[N@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136858747 1137133054 /nfs/dbraw/zinc/13/30/54/1137133054.db2.gz XVGIWCTTWXOACK-UHFFFAOYSA-N 1 2 326.827 3.872 20 0 EHADLO C[C@H]1CC[N@H+](Cc2cn(C)nc2Br)[C@@H](c2ccco2)C1 ZINC000862249843 1137135374 /nfs/dbraw/zinc/13/53/74/1137135374.db2.gz DUOBKXLNGXARGP-WCQYABFASA-N 1 2 338.249 3.749 20 0 EHADLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2Br)[C@@H](c2ccco2)C1 ZINC000862249843 1137135375 /nfs/dbraw/zinc/13/53/75/1137135375.db2.gz DUOBKXLNGXARGP-WCQYABFASA-N 1 2 338.249 3.749 20 0 EHADLO C/C(=C/C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1C ZINC001136890412 1137141071 /nfs/dbraw/zinc/14/10/71/1137141071.db2.gz MXXNSOASCLVKFO-NZCCEVMUSA-N 1 2 349.478 3.699 20 0 EHADLO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824526553 1137141349 /nfs/dbraw/zinc/14/13/49/1137141349.db2.gz MNRQXJCMVBLWJQ-QGZVFWFLSA-N 1 2 330.451 3.883 20 0 EHADLO Cc1cc(C[NH+]2CC3(C2)CCCOC3)c(Br)cc1F ZINC000862389850 1137141834 /nfs/dbraw/zinc/14/18/34/1137141834.db2.gz PQVOLTDXQSGHHM-UHFFFAOYSA-N 1 2 328.225 3.509 20 0 EHADLO C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000862540411 1137148698 /nfs/dbraw/zinc/14/86/98/1137148698.db2.gz DHXRJOISGKDXMY-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@H](C[N@@H+](C)Cc1ccnc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC000862540411 1137148700 /nfs/dbraw/zinc/14/87/00/1137148700.db2.gz DHXRJOISGKDXMY-JTQLQIEISA-N 1 2 348.274 3.733 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC001136932949 1137149371 /nfs/dbraw/zinc/14/93/71/1137149371.db2.gz YYQRTLVXXPPMHL-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC001136932949 1137149373 /nfs/dbraw/zinc/14/93/73/1137149373.db2.gz YYQRTLVXXPPMHL-DOMZBBRYSA-N 1 2 339.867 3.613 20 0 EHADLO CCC[C@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171065810 1137151810 /nfs/dbraw/zinc/15/18/10/1137151810.db2.gz BPGZTYKUKUXYHP-WFASDCNBSA-N 1 2 330.255 3.782 20 0 EHADLO CCOC(=O)C1([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171066243 1137152252 /nfs/dbraw/zinc/15/22/52/1137152252.db2.gz JKRFTIDMWHHJMN-ZDUSSCGKSA-N 1 2 342.266 3.926 20 0 EHADLO CC(=O)[C@@H]1C[N@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001136947550 1137153867 /nfs/dbraw/zinc/15/38/67/1137153867.db2.gz LBWKHUOSEPORNU-QFIPXVFZSA-N 1 2 346.430 3.692 20 0 EHADLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001136947550 1137153869 /nfs/dbraw/zinc/15/38/69/1137153869.db2.gz LBWKHUOSEPORNU-QFIPXVFZSA-N 1 2 346.430 3.692 20 0 EHADLO FC1(F)CN(Cc2nc3ccccc3s2)CC[C@H]1[NH+]1CCCC1 ZINC001136957592 1137156665 /nfs/dbraw/zinc/15/66/65/1137156665.db2.gz JIMNJEQVGNWCTN-OAHLLOKOSA-N 1 2 337.439 3.602 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000014308899 1137160621 /nfs/dbraw/zinc/16/06/21/1137160621.db2.gz PCSVNRSUQSPDCQ-MRXNPFEDSA-N 1 2 339.468 3.672 20 0 EHADLO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000014308899 1137160623 /nfs/dbraw/zinc/16/06/23/1137160623.db2.gz PCSVNRSUQSPDCQ-MRXNPFEDSA-N 1 2 339.468 3.672 20 0 EHADLO Cc1ccc2c(C[N@@H+]3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)c[nH]c2c1 ZINC001136970854 1137160803 /nfs/dbraw/zinc/16/08/03/1137160803.db2.gz WCILTENWBXBBAO-ZWKOTPCHSA-N 1 2 341.455 3.670 20 0 EHADLO Cc1ccc2c(C[N@H+]3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)c[nH]c2c1 ZINC001136970854 1137160804 /nfs/dbraw/zinc/16/08/04/1137160804.db2.gz WCILTENWBXBBAO-ZWKOTPCHSA-N 1 2 341.455 3.670 20 0 EHADLO Cn1ncc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c1Cl ZINC000825124683 1137166536 /nfs/dbraw/zinc/16/65/36/1137166536.db2.gz WEFNDSCMZOHRPE-UHFFFAOYSA-N 1 2 329.753 3.692 20 0 EHADLO C[N@H+](CCc1cccnc1)Cc1c(Br)ccc(F)c1F ZINC001143335920 1137171560 /nfs/dbraw/zinc/17/15/60/1137171560.db2.gz OPBVCUSLMNSRCC-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[N@@H+](CCc1cccnc1)Cc1c(Br)ccc(F)c1F ZINC001143335920 1137171561 /nfs/dbraw/zinc/17/15/61/1137171561.db2.gz OPBVCUSLMNSRCC-UHFFFAOYSA-N 1 2 341.199 3.797 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(Br)n2)C1 ZINC000794495802 1137171911 /nfs/dbraw/zinc/17/19/11/1137171911.db2.gz JZWSHIDZGMIEFJ-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(Br)n2)C1 ZINC000794495802 1137171912 /nfs/dbraw/zinc/17/19/12/1137171912.db2.gz JZWSHIDZGMIEFJ-SWLSCSKDSA-N 1 2 332.245 3.822 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)C3(C)CCC(=O)CC3)c2)[nH+]c1C ZINC000825393989 1137176587 /nfs/dbraw/zinc/17/65/87/1137176587.db2.gz NUYUUYWZACDZTR-UHFFFAOYSA-N 1 2 325.412 3.781 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863254577 1137177875 /nfs/dbraw/zinc/17/78/75/1137177875.db2.gz JLYQHKMHDAMLGG-GDBMZVCRSA-N 1 2 325.456 3.840 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000863254577 1137177877 /nfs/dbraw/zinc/17/78/77/1137177877.db2.gz JLYQHKMHDAMLGG-GDBMZVCRSA-N 1 2 325.456 3.840 20 0 EHADLO CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000863255096 1137178021 /nfs/dbraw/zinc/17/80/21/1137178021.db2.gz RHRFTTSZHMLGGB-DLBZAZTESA-N 1 2 337.467 3.697 20 0 EHADLO CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000863255335 1137178062 /nfs/dbraw/zinc/17/80/62/1137178062.db2.gz CPIXOOOEBPCDOV-IRXDYDNUSA-N 1 2 337.467 3.697 20 0 EHADLO CCc1cc(=O)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccccc1 ZINC000863331983 1137181327 /nfs/dbraw/zinc/18/13/27/1137181327.db2.gz YJIFNBDMFHBBHF-UHFFFAOYSA-N 1 2 337.467 3.696 20 0 EHADLO CCc1cc(=O)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccccc1 ZINC000863331983 1137181328 /nfs/dbraw/zinc/18/13/28/1137181328.db2.gz YJIFNBDMFHBBHF-UHFFFAOYSA-N 1 2 337.467 3.696 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)o1 ZINC001143627748 1137184041 /nfs/dbraw/zinc/18/40/41/1137184041.db2.gz TUORFVNYQRSKGU-NSHDSACASA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)o1 ZINC001143627748 1137184042 /nfs/dbraw/zinc/18/40/42/1137184042.db2.gz TUORFVNYQRSKGU-NSHDSACASA-N 1 2 327.762 3.689 20 0 EHADLO CN(C)c1cc(CSCc2cccnc2C(F)(F)F)cc[nH+]1 ZINC000863395819 1137184919 /nfs/dbraw/zinc/18/49/19/1137184919.db2.gz KWZPHXFGJJKCDQ-UHFFFAOYSA-N 1 2 327.375 3.995 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001143641122 1137185417 /nfs/dbraw/zinc/18/54/17/1137185417.db2.gz GKQAJQPUVJWOPT-HDMKZQKVSA-N 1 2 332.492 3.511 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001143641122 1137185418 /nfs/dbraw/zinc/18/54/18/1137185418.db2.gz GKQAJQPUVJWOPT-HDMKZQKVSA-N 1 2 332.492 3.511 20 0 EHADLO Cc1cc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000339056520 1137187889 /nfs/dbraw/zinc/18/78/89/1137187889.db2.gz OEMDRDLTQQPHQN-SFHVURJKSA-N 1 2 341.430 3.987 20 0 EHADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC001143712210 1137193298 /nfs/dbraw/zinc/19/32/98/1137193298.db2.gz QQFKJJKUXSYSLJ-LBPRGKRZSA-N 1 2 336.760 3.587 20 0 EHADLO F[C@H]1CC[N@H+](C2CN(Cc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC001143712210 1137193300 /nfs/dbraw/zinc/19/33/00/1137193300.db2.gz QQFKJJKUXSYSLJ-LBPRGKRZSA-N 1 2 336.760 3.587 20 0 EHADLO CC[C@@H]1CC[N@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)C1 ZINC000119569215 1137197900 /nfs/dbraw/zinc/19/79/00/1137197900.db2.gz DVUAPGVLQYQYBX-CYBMUJFWSA-N 1 2 329.473 3.500 20 0 EHADLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3ccncc3)n(C3CC3)c2=S)C1 ZINC000119569215 1137197901 /nfs/dbraw/zinc/19/79/01/1137197901.db2.gz DVUAPGVLQYQYBX-CYBMUJFWSA-N 1 2 329.473 3.500 20 0 EHADLO CCOc1cc(-c2noc([C@H]([NH3+])CCC(C)C)n2)cc(Cl)c1O ZINC000863671324 1137198531 /nfs/dbraw/zinc/19/85/31/1137198531.db2.gz WRDYAFVRXYNVFG-GFCCVEGCSA-N 1 2 339.823 3.930 20 0 EHADLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(CC2(C)CCCC2)no1 ZINC000863675457 1137199038 /nfs/dbraw/zinc/19/90/38/1137199038.db2.gz IKMIZVGXLSZJJG-WMLDXEAASA-N 1 2 329.444 3.798 20 0 EHADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844131566 1137200127 /nfs/dbraw/zinc/20/01/27/1137200127.db2.gz QWVUIDYZRJTSJM-QUCCMNQESA-N 1 2 337.467 3.883 20 0 EHADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1csc2ccccc21 ZINC000844132284 1137200329 /nfs/dbraw/zinc/20/03/29/1137200329.db2.gz FVJMKMRGZUYCNQ-OLZOCXBDSA-N 1 2 325.437 3.538 20 0 EHADLO Clc1cc(Cl)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC001143798019 1137200631 /nfs/dbraw/zinc/20/06/31/1137200631.db2.gz ARAXCHDWEGVEDP-GFCCVEGCSA-N 1 2 349.689 3.553 20 0 EHADLO COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1OC(F)(F)F ZINC001143879149 1137208390 /nfs/dbraw/zinc/20/83/90/1137208390.db2.gz ZDWTWWXJDSHWHY-LBPRGKRZSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1OC(F)(F)F ZINC001143879149 1137208392 /nfs/dbraw/zinc/20/83/92/1137208392.db2.gz ZDWTWWXJDSHWHY-LBPRGKRZSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccc(Cl)c(CN2CCN(c3cccc(C)[nH+]3)CC2)c1F ZINC001143886280 1137210143 /nfs/dbraw/zinc/21/01/43/1137210143.db2.gz LIDUYTGLHKYZOV-UHFFFAOYSA-N 1 2 349.837 3.513 20 0 EHADLO O=C(/C=C/C1CCCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000844331653 1137211107 /nfs/dbraw/zinc/21/11/07/1137211107.db2.gz KJKAAYZJQBCHAI-ZHACJKMWSA-N 1 2 327.472 3.693 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794581977 1137213839 /nfs/dbraw/zinc/21/38/39/1137213839.db2.gz KYACXXICLUWEJE-APWZRJJASA-N 1 2 346.858 3.658 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3c(Cl)n2)C[C@]2(CCOC2)O1 ZINC000794581977 1137213841 /nfs/dbraw/zinc/21/38/41/1137213841.db2.gz KYACXXICLUWEJE-APWZRJJASA-N 1 2 346.858 3.658 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958544 1137218821 /nfs/dbraw/zinc/21/88/21/1137218821.db2.gz HPNRFWDSIHCEID-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958544 1137218823 /nfs/dbraw/zinc/21/88/23/1137218823.db2.gz HPNRFWDSIHCEID-INIZCTEOSA-N 1 2 331.790 3.783 20 0 EHADLO CCc1noc([C@H]2CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143958509 1137218831 /nfs/dbraw/zinc/21/88/31/1137218831.db2.gz FVQCPPXPMMUORI-JTQLQIEISA-N 1 2 341.789 3.943 20 0 EHADLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)n1 ZINC001143958509 1137218834 /nfs/dbraw/zinc/21/88/34/1137218834.db2.gz FVQCPPXPMMUORI-JTQLQIEISA-N 1 2 341.789 3.943 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961858 1137219330 /nfs/dbraw/zinc/21/93/30/1137219330.db2.gz WHVOXNBKAGLVLW-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143961858 1137219332 /nfs/dbraw/zinc/21/93/32/1137219332.db2.gz WHVOXNBKAGLVLW-LBPRGKRZSA-N 1 2 338.785 3.975 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448734 1137221055 /nfs/dbraw/zinc/22/10/55/1137221055.db2.gz CESNMFWXLJMGTL-KPXOXKRLSA-N 1 2 325.746 3.648 20 0 EHADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448734 1137221056 /nfs/dbraw/zinc/22/10/56/1137221056.db2.gz CESNMFWXLJMGTL-KPXOXKRLSA-N 1 2 325.746 3.648 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@H+](C)CC(C)(C)C)c2=S)cc1 ZINC000794631685 1137221778 /nfs/dbraw/zinc/22/17/78/1137221778.db2.gz NKCTXZIEIWXWNG-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO COc1ccc(-n2c(C)nn(C[N@@H+](C)CC(C)(C)C)c2=S)cc1 ZINC000794631685 1137221780 /nfs/dbraw/zinc/22/17/80/1137221780.db2.gz NKCTXZIEIWXWNG-UHFFFAOYSA-N 1 2 334.489 3.656 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441028 1137223641 /nfs/dbraw/zinc/22/36/41/1137223641.db2.gz YKHVKTYDEKTRFG-DYVFJYSZSA-N 1 2 333.382 3.843 20 0 EHADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441028 1137223643 /nfs/dbraw/zinc/22/36/43/1137223643.db2.gz YKHVKTYDEKTRFG-DYVFJYSZSA-N 1 2 333.382 3.843 20 0 EHADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143979150 1137223651 /nfs/dbraw/zinc/22/36/51/1137223651.db2.gz VRKKPEZJRDGAAY-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001143979150 1137223652 /nfs/dbraw/zinc/22/36/52/1137223652.db2.gz VRKKPEZJRDGAAY-LBPRGKRZSA-N 1 2 341.398 3.527 20 0 EHADLO CC(C)OC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(F)c1 ZINC000844478634 1137224918 /nfs/dbraw/zinc/22/49/18/1137224918.db2.gz RQIRDXVDBAJPPN-RHSMWYFYSA-N 1 2 334.391 3.683 20 0 EHADLO COC(=O)c1cncc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)c1 ZINC001212613260 1137234058 /nfs/dbraw/zinc/23/40/58/1137234058.db2.gz LEJMYVXQDOWCCP-UHFFFAOYSA-N 1 2 340.427 3.776 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)c(F)cc1F ZINC001144130861 1137244361 /nfs/dbraw/zinc/24/43/61/1137244361.db2.gz RIFBHURWOJSGJB-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)c(F)cc1F ZINC001144130861 1137244363 /nfs/dbraw/zinc/24/43/63/1137244363.db2.gz RIFBHURWOJSGJB-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO Cn1c[nH+]c2ccc(N[C@H](CO)c3ccc(C(F)(F)F)cc3)cc21 ZINC001171146180 1137246877 /nfs/dbraw/zinc/24/68/77/1137246877.db2.gz LYANMSUUFFDMLP-OAHLLOKOSA-N 1 2 335.329 3.738 20 0 EHADLO S=c1n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000120275458 1137249733 /nfs/dbraw/zinc/24/97/33/1137249733.db2.gz KLQFIDSKMQDTNY-MRXNPFEDSA-N 1 2 328.485 3.587 20 0 EHADLO S=c1n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc2n1CCCCC2 ZINC000120275458 1137249735 /nfs/dbraw/zinc/24/97/35/1137249735.db2.gz KLQFIDSKMQDTNY-MRXNPFEDSA-N 1 2 328.485 3.587 20 0 EHADLO O=C(c1ccc(SC(F)(F)F)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865158696 1137265908 /nfs/dbraw/zinc/26/59/08/1137265908.db2.gz MGXKKKBESDFPCH-SNVBAGLBSA-N 1 2 345.346 3.565 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865158036 1137265997 /nfs/dbraw/zinc/26/59/97/1137265997.db2.gz FZUIDEOIZMQXQK-KRWDZBQOSA-N 1 2 348.406 3.548 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865160169 1137266088 /nfs/dbraw/zinc/26/60/88/1137266088.db2.gz XPISQDDTEKMJEE-HNNXBMFYSA-N 1 2 334.423 3.719 20 0 EHADLO CCOCCCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000865173752 1137266746 /nfs/dbraw/zinc/26/67/46/1137266746.db2.gz CNDRVDGMVRCROG-QGZVFWFLSA-N 1 2 348.487 3.615 20 0 EHADLO COC(=O)C[N@H+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344698 1137276467 /nfs/dbraw/zinc/27/64/67/1137276467.db2.gz BCPACYDHOUVOQS-UHFFFAOYSA-N 1 2 337.341 3.977 20 0 EHADLO COC(=O)C[N@@H+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001144344698 1137276469 /nfs/dbraw/zinc/27/64/69/1137276469.db2.gz BCPACYDHOUVOQS-UHFFFAOYSA-N 1 2 337.341 3.977 20 0 EHADLO Cc1ccc(-c2nc(COC(=O)C[C@@H](C)n3cc[nH+]c3)cs2)o1 ZINC000845281394 1137283361 /nfs/dbraw/zinc/28/33/61/1137283361.db2.gz OOUBINWPWWIBSC-LLVKDONJSA-N 1 2 331.397 3.603 20 0 EHADLO Clc1nc2ccccc2c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000865443683 1137284111 /nfs/dbraw/zinc/28/41/11/1137284111.db2.gz BEOUCKGMJJNEEI-UHFFFAOYSA-N 1 2 339.830 3.759 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc([S@](C)=O)cc1 ZINC000865510888 1137290456 /nfs/dbraw/zinc/29/04/56/1137290456.db2.gz OWNOVXKRLHADMJ-CWKPULSASA-N 1 2 343.279 3.977 20 0 EHADLO CC[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccnc(Cl)c1 ZINC000845567112 1137298204 /nfs/dbraw/zinc/29/82/04/1137298204.db2.gz LRBVELXXURIZBJ-CQSZACIVSA-N 1 2 333.819 3.505 20 0 EHADLO COc1cc(Cl)cc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001144480786 1137298230 /nfs/dbraw/zinc/29/82/30/1137298230.db2.gz HLKHMOFNRNZTQV-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO COc1cc(Cl)cc(C[N@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001144480786 1137298231 /nfs/dbraw/zinc/29/82/31/1137298231.db2.gz HLKHMOFNRNZTQV-UHFFFAOYSA-N 1 2 331.799 3.636 20 0 EHADLO COc1ccc([C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)c2ccco2)cc1 ZINC000845596698 1137300827 /nfs/dbraw/zinc/30/08/27/1137300827.db2.gz ZDCFFMAIKVKJQQ-LIRRHRJNSA-N 1 2 340.379 3.769 20 0 EHADLO Cc1nc(N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000845710483 1137305674 /nfs/dbraw/zinc/30/56/74/1137305674.db2.gz IXHHDUDMHSAAMX-OAHLLOKOSA-N 1 2 340.427 3.563 20 0 EHADLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000865728987 1137307221 /nfs/dbraw/zinc/30/72/21/1137307221.db2.gz CHTNHILPLPYGAP-UHFFFAOYSA-N 1 2 344.480 3.877 20 0 EHADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)c(F)c1 ZINC001144555106 1137308854 /nfs/dbraw/zinc/30/88/54/1137308854.db2.gz VRXJCYCGKUQIDM-AWEZNQCLSA-N 1 2 336.407 3.822 20 0 EHADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c(F)c1 ZINC001144555106 1137308856 /nfs/dbraw/zinc/30/88/56/1137308856.db2.gz VRXJCYCGKUQIDM-AWEZNQCLSA-N 1 2 336.407 3.822 20 0 EHADLO CCOc1cc(C[NH2+]Cc2noc3cc(F)ccc23)c(F)cc1OC ZINC000865836559 1137315530 /nfs/dbraw/zinc/31/55/30/1137315530.db2.gz JVVRLLLPFORAIP-UHFFFAOYSA-N 1 2 348.349 3.803 20 0 EHADLO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)c3ccnn3C)cs2)cc1 ZINC000865838204 1137315630 /nfs/dbraw/zinc/31/56/30/1137315630.db2.gz FRBGITULZRMXKF-AWEZNQCLSA-N 1 2 342.468 3.615 20 0 EHADLO COc1cc(OC)c(CNc2ccc3c(c2)CCC[N@H+]3C)cc1F ZINC000845950790 1137319802 /nfs/dbraw/zinc/31/98/02/1137319802.db2.gz DLYRWODEURBYGR-UHFFFAOYSA-N 1 2 330.403 3.837 20 0 EHADLO COc1cc(OC)c(CNc2ccc3c(c2)CCC[N@@H+]3C)cc1F ZINC000845950790 1137319804 /nfs/dbraw/zinc/31/98/04/1137319804.db2.gz DLYRWODEURBYGR-UHFFFAOYSA-N 1 2 330.403 3.837 20 0 EHADLO CCCNc1cc(N2CCC(c3ccc4cccnc4n3)CC2)nc[nH+]1 ZINC000865915585 1137320124 /nfs/dbraw/zinc/32/01/24/1137320124.db2.gz FGLNBCJNZMKVIM-UHFFFAOYSA-N 1 2 348.454 3.626 20 0 EHADLO CCCNc1cc(N2CCC(c3ccc4cccnc4n3)CC2)[nH+]cn1 ZINC000865915585 1137320126 /nfs/dbraw/zinc/32/01/26/1137320126.db2.gz FGLNBCJNZMKVIM-UHFFFAOYSA-N 1 2 348.454 3.626 20 0 EHADLO Clc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001144689787 1137331044 /nfs/dbraw/zinc/33/10/44/1137331044.db2.gz MURJVNHVWPKHPW-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO Clc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001144689787 1137331046 /nfs/dbraw/zinc/33/10/46/1137331046.db2.gz MURJVNHVWPKHPW-AWEZNQCLSA-N 1 2 330.653 3.857 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)C[C@H]12 ZINC001144689639 1137330857 /nfs/dbraw/zinc/33/08/57/1137330857.db2.gz GMFJJFCYFADSHQ-OWYVNGRQSA-N 1 2 330.653 3.569 20 0 EHADLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)C[C@H]12 ZINC001144689639 1137330859 /nfs/dbraw/zinc/33/08/59/1137330859.db2.gz GMFJJFCYFADSHQ-OWYVNGRQSA-N 1 2 330.653 3.569 20 0 EHADLO CC(C)c1nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(=S)n1C ZINC000794904773 1137338937 /nfs/dbraw/zinc/33/89/37/1137338937.db2.gz YLPJCQHNEDZKGG-GOSISDBHSA-N 1 2 348.491 3.835 20 0 EHADLO CC(C)c1nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(=S)n1C ZINC000794904773 1137338938 /nfs/dbraw/zinc/33/89/38/1137338938.db2.gz YLPJCQHNEDZKGG-GOSISDBHSA-N 1 2 348.491 3.835 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144732528 1137339519 /nfs/dbraw/zinc/33/95/19/1137339519.db2.gz YYNMPNGBIXONPY-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144732528 1137339521 /nfs/dbraw/zinc/33/95/21/1137339521.db2.gz YYNMPNGBIXONPY-NSHDSACASA-N 1 2 331.790 3.783 20 0 EHADLO CC(C)COc1ccc(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001144739725 1137341506 /nfs/dbraw/zinc/34/15/06/1137341506.db2.gz UINFJCMKOWDAKY-UHFFFAOYSA-N 1 2 337.423 3.570 20 0 EHADLO COCc1cc[nH+]c(N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000846211388 1137343666 /nfs/dbraw/zinc/34/36/66/1137343666.db2.gz DYIFBRCNBAIPDW-CVEARBPZSA-N 1 2 349.475 3.723 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000846212366 1137343803 /nfs/dbraw/zinc/34/38/03/1137343803.db2.gz LZPQSSLHYAQEEY-CQSZACIVSA-N 1 2 341.411 3.748 20 0 EHADLO C[C@H](CCc1cccnc1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000866335049 1137346769 /nfs/dbraw/zinc/34/67/69/1137346769.db2.gz ZRKYJSPXJVFMDL-IAGOWNOFSA-N 1 2 325.456 3.740 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846664673 1137361145 /nfs/dbraw/zinc/36/11/45/1137361145.db2.gz MHFIFXASVAMPRE-YJBOKZPZSA-N 1 2 345.393 3.580 20 0 EHADLO CCSCc1cc[nH+]c(NCc2ccc(/C=C/C(=O)OC)o2)c1 ZINC000846775740 1137364988 /nfs/dbraw/zinc/36/49/88/1137364988.db2.gz USYYFMLTVDXFJP-VOTSOKGWSA-N 1 2 332.425 3.726 20 0 EHADLO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)n1 ZINC000866566141 1137365105 /nfs/dbraw/zinc/36/51/05/1137365105.db2.gz BIOLELYRDCHNCY-LLVKDONJSA-N 1 2 329.753 3.927 20 0 EHADLO COC(=O)CCCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001144944412 1137366326 /nfs/dbraw/zinc/36/63/26/1137366326.db2.gz MWSVNIOMJCVDDK-UHFFFAOYSA-N 1 2 343.427 3.715 20 0 EHADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2noc3cc(F)ccc23)c1 ZINC000866611629 1137369081 /nfs/dbraw/zinc/36/90/81/1137369081.db2.gz WFLKIVZVOGAMAI-LLVKDONJSA-N 1 2 330.359 3.835 20 0 EHADLO C/C(=C\c1ccco1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000846860937 1137369993 /nfs/dbraw/zinc/36/99/93/1137369993.db2.gz ISYFCFIQLNMZMA-QJPKHSJYSA-N 1 2 340.423 3.715 20 0 EHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000867628374 1137382912 /nfs/dbraw/zinc/38/29/12/1137382912.db2.gz YZXYGYVNJBXQFC-UHFFFAOYSA-N 1 2 347.465 3.687 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)N(c1ccccc1)c1ccccc1 ZINC000867710931 1137384680 /nfs/dbraw/zinc/38/46/80/1137384680.db2.gz LCBKVVPAXYVWDE-QGZVFWFLSA-N 1 2 341.430 3.968 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)N(c1ccccc1)c1ccccc1 ZINC000867710931 1137384681 /nfs/dbraw/zinc/38/46/81/1137384681.db2.gz LCBKVVPAXYVWDE-QGZVFWFLSA-N 1 2 341.430 3.968 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000867844211 1137387955 /nfs/dbraw/zinc/38/79/55/1137387955.db2.gz VAEZDOSILBXAHQ-WBVHZDCISA-N 1 2 343.446 3.534 20 0 EHADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 ZINC001146407854 1137390020 /nfs/dbraw/zinc/39/00/20/1137390020.db2.gz YAAPSSMCDAQQEJ-MRXNPFEDSA-N 1 2 342.468 3.580 20 0 EHADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 ZINC001146407854 1137390022 /nfs/dbraw/zinc/39/00/22/1137390022.db2.gz YAAPSSMCDAQQEJ-MRXNPFEDSA-N 1 2 342.468 3.580 20 0 EHADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001147226179 1137403090 /nfs/dbraw/zinc/40/30/90/1137403090.db2.gz HWGNWWKIKFYTTF-DLBZAZTESA-N 1 2 329.444 3.619 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2ccccc2NCC(F)(F)F)c[nH+]1 ZINC000868792411 1137423821 /nfs/dbraw/zinc/42/38/21/1137423821.db2.gz JJWKFZMTWPZGRP-UHFFFAOYSA-N 1 2 337.345 3.603 20 0 EHADLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC(Cc2ccsc2)C1 ZINC001148781312 1137433585 /nfs/dbraw/zinc/43/35/85/1137433585.db2.gz OSJLKPWZKLDRTI-UHFFFAOYSA-N 1 2 349.459 3.623 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104143 1137436747 /nfs/dbraw/zinc/43/67/47/1137436747.db2.gz BHVRLHHJBCWPGL-AUUYWEPGSA-N 1 2 341.430 3.715 20 0 EHADLO C[C@H](c1ccccc1F)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104143 1137436748 /nfs/dbraw/zinc/43/67/48/1137436748.db2.gz BHVRLHHJBCWPGL-AUUYWEPGSA-N 1 2 341.430 3.715 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+](CC)Cc1ccncc1)c1ccccc1 ZINC000348103230 1137440857 /nfs/dbraw/zinc/44/08/57/1137440857.db2.gz AHEKAQWAZOSHKH-IBGZPJMESA-N 1 2 325.456 3.561 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+](CC)Cc1ccncc1)c1ccccc1 ZINC000348103230 1137440858 /nfs/dbraw/zinc/44/08/58/1137440858.db2.gz AHEKAQWAZOSHKH-IBGZPJMESA-N 1 2 325.456 3.561 20 0 EHADLO CC(C)c1nc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000348125931 1137443412 /nfs/dbraw/zinc/44/34/12/1137443412.db2.gz QEDWHLYGGOVUBR-UHFFFAOYSA-N 1 2 333.476 3.723 20 0 EHADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1C(F)(F)F ZINC000282765103 1137446859 /nfs/dbraw/zinc/44/68/59/1137446859.db2.gz OLNNGZOVTBPTPN-LLVKDONJSA-N 1 2 326.366 3.903 20 0 EHADLO O=C(OCc1coc(C2CC2)n1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000869410557 1137450197 /nfs/dbraw/zinc/45/01/97/1137450197.db2.gz MBCJYRBXQSMDGO-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO O=C(OCc1coc(C2CC2)n1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000869410557 1137450199 /nfs/dbraw/zinc/45/01/99/1137450199.db2.gz MBCJYRBXQSMDGO-SFHVURJKSA-N 1 2 340.423 3.650 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)cs1 ZINC000282815319 1137452485 /nfs/dbraw/zinc/45/24/85/1137452485.db2.gz RLFNAKSEKIMROI-VIFPVBQESA-N 1 2 343.294 3.708 20 0 EHADLO O=C(OCCCn1cc[nH+]c1)[C@H](c1cccnc1)C1CCCCC1 ZINC000869774833 1137465732 /nfs/dbraw/zinc/46/57/32/1137465732.db2.gz HCNDNYPGSXJISZ-SFHVURJKSA-N 1 2 327.428 3.576 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000795101069 1137478446 /nfs/dbraw/zinc/47/84/46/1137478446.db2.gz PLXIWNQHEVIOQW-KCWVNHISSA-N 1 2 335.275 3.637 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000795101069 1137478447 /nfs/dbraw/zinc/47/84/47/1137478447.db2.gz PLXIWNQHEVIOQW-KCWVNHISSA-N 1 2 335.275 3.637 20 0 EHADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000870304096 1137486811 /nfs/dbraw/zinc/48/68/11/1137486811.db2.gz IPHAERAJMZJZIS-LJQANCHMSA-N 1 2 341.455 3.655 20 0 EHADLO CC[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC(C)(C)C ZINC001171462272 1137490670 /nfs/dbraw/zinc/49/06/70/1137490670.db2.gz GBENETHOFFPXFN-BBRMVZONSA-N 1 2 325.399 3.532 20 0 EHADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)C1CCCCC1 ZINC001171542350 1137494176 /nfs/dbraw/zinc/49/41/76/1137494176.db2.gz ZVYVBJWKSOQWGF-QGZVFWFLSA-N 1 2 344.499 3.643 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000339103925 1137496821 /nfs/dbraw/zinc/49/68/21/1137496821.db2.gz MEWWJARUWDJJOC-AWEZNQCLSA-N 1 2 336.505 3.783 20 0 EHADLO CSCC[C@H]([NH2+][C@@H]1CCc2c(C)cccc2C1)C(=O)OC(C)(C)C ZINC001171552595 1137497415 /nfs/dbraw/zinc/49/74/15/1137497415.db2.gz BSPNAWFMAHHWJW-AEFFLSMTSA-N 1 2 349.540 3.905 20 0 EHADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171665883 1137502593 /nfs/dbraw/zinc/50/25/93/1137502593.db2.gz JIKDWLVVUCJKQK-OXQOHEQNSA-N 1 2 343.442 3.829 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC(F)(C3CC3)C2)CC12CCC2 ZINC001171846258 1137515622 /nfs/dbraw/zinc/51/56/22/1137515622.db2.gz ULAXDNGDFKGJQL-OAHLLOKOSA-N 1 2 338.467 3.743 20 0 EHADLO CCCCCOC(=O)C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965764 1137520405 /nfs/dbraw/zinc/52/04/05/1137520405.db2.gz SFGBMGBNIOTQKL-CYBMUJFWSA-N 1 2 331.378 3.959 20 0 EHADLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001171922421 1137521231 /nfs/dbraw/zinc/52/12/31/1137521231.db2.gz WZIFNLDCZLWUEG-ROKHWSDSSA-N 1 2 335.410 3.814 20 0 EHADLO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001171922421 1137521232 /nfs/dbraw/zinc/52/12/32/1137521232.db2.gz WZIFNLDCZLWUEG-ROKHWSDSSA-N 1 2 335.410 3.814 20 0 EHADLO C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000923629221 1137532528 /nfs/dbraw/zinc/53/25/28/1137532528.db2.gz ZTZVLLXOUGYWBK-TWOQFEAHSA-N 1 2 342.487 3.636 20 0 EHADLO CC[C@H]([NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000872060003 1137568684 /nfs/dbraw/zinc/56/86/84/1137568684.db2.gz MJHNAXKQBXYHKN-LJCCNALRSA-N 1 2 332.488 3.917 20 0 EHADLO CC(F)(F)C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872071970 1137569717 /nfs/dbraw/zinc/56/97/17/1137569717.db2.gz BBZHRAZZUKAIRI-WCQYABFASA-N 1 2 334.204 3.772 20 0 EHADLO Cc1nonc1C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000872137089 1137573731 /nfs/dbraw/zinc/57/37/31/1137573731.db2.gz QKWVRVBJMFRDLT-SNVBAGLBSA-N 1 2 332.404 3.800 20 0 EHADLO [NH3+][C@H](c1nc(CC2CCCC2)no1)c1cccc(C(F)(F)F)c1 ZINC000872181786 1137575620 /nfs/dbraw/zinc/57/56/20/1137575620.db2.gz BHMYILQXYZGSHB-AWEZNQCLSA-N 1 2 325.334 3.869 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137059109 1137579141 /nfs/dbraw/zinc/57/91/41/1137579141.db2.gz MPBVGKMYLGIQNP-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137059109 1137579142 /nfs/dbraw/zinc/57/91/42/1137579142.db2.gz MPBVGKMYLGIQNP-UHFFFAOYSA-N 1 2 338.382 3.652 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(C(F)(F)F)nc1 ZINC000872769064 1137584220 /nfs/dbraw/zinc/58/42/20/1137584220.db2.gz YHEIGLQEXWGZTL-NSHDSACASA-N 1 2 337.349 3.664 20 0 EHADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(C(F)(F)F)nc1 ZINC000872769064 1137584221 /nfs/dbraw/zinc/58/42/21/1137584221.db2.gz YHEIGLQEXWGZTL-NSHDSACASA-N 1 2 337.349 3.664 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001137066206 1137587858 /nfs/dbraw/zinc/58/78/58/1137587858.db2.gz IQBREKJHYDYAIA-UHFFFAOYSA-N 1 2 339.483 3.588 20 0 EHADLO c1cc(N2CCCC2)oc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC001137066206 1137587859 /nfs/dbraw/zinc/58/78/59/1137587859.db2.gz IQBREKJHYDYAIA-UHFFFAOYSA-N 1 2 339.483 3.588 20 0 EHADLO COc1ccc(CNc2ccc([NH+](C)C)cc2)cc1Cn1cccn1 ZINC000873081445 1137589708 /nfs/dbraw/zinc/58/97/08/1137589708.db2.gz GFHXBJHOTVGCFG-UHFFFAOYSA-N 1 2 336.439 3.618 20 0 EHADLO Cc1cc(Cl)ccc1OC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000873847812 1137607335 /nfs/dbraw/zinc/60/73/35/1137607335.db2.gz DFSXPHPDYKZGOC-GFCCVEGCSA-N 1 2 332.709 3.944 20 0 EHADLO CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000874256047 1137612194 /nfs/dbraw/zinc/61/21/94/1137612194.db2.gz ALGIQXACNVJZPR-SFHVURJKSA-N 1 2 325.456 3.624 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1Cc1ccccc1 ZINC000874324934 1137613103 /nfs/dbraw/zinc/61/31/03/1137613103.db2.gz UQKDBTLITRBAFF-GOSISDBHSA-N 1 2 348.450 3.588 20 0 EHADLO CCOC(=O)Nc1ccc(OC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000874441850 1137614077 /nfs/dbraw/zinc/61/40/77/1137614077.db2.gz CVQGURQBSPJNRY-INIZCTEOSA-N 1 2 345.399 3.644 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876208577 1137646084 /nfs/dbraw/zinc/64/60/84/1137646084.db2.gz RALXIFJAUNLBLC-GOSISDBHSA-N 1 2 343.496 3.855 20 0 EHADLO CC(C)N(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876208577 1137646085 /nfs/dbraw/zinc/64/60/85/1137646085.db2.gz RALXIFJAUNLBLC-GOSISDBHSA-N 1 2 343.496 3.855 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2cncc(-c3ccccc3)c2)c1C ZINC000125919515 1137650046 /nfs/dbraw/zinc/65/00/46/1137650046.db2.gz WWMGQHZAPQPZIP-UHFFFAOYSA-N 1 2 347.418 3.699 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137872630 1137654816 /nfs/dbraw/zinc/65/48/16/1137654816.db2.gz YPEKOPWKRGVNAJ-NSHDSACASA-N 1 2 329.362 3.658 20 0 EHADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137872630 1137654817 /nfs/dbraw/zinc/65/48/17/1137654817.db2.gz YPEKOPWKRGVNAJ-NSHDSACASA-N 1 2 329.362 3.658 20 0 EHADLO CCCC[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)[C@@H](C)c1ccc(C)o1 ZINC000876606765 1137656930 /nfs/dbraw/zinc/65/69/30/1137656930.db2.gz FFZTXLJRSFIMEE-FUHWJXTLSA-N 1 2 346.475 3.722 20 0 EHADLO CCCC[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)[C@@H](C)c1ccc(C)o1 ZINC000876606765 1137656931 /nfs/dbraw/zinc/65/69/31/1137656931.db2.gz FFZTXLJRSFIMEE-FUHWJXTLSA-N 1 2 346.475 3.722 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876656011 1137658280 /nfs/dbraw/zinc/65/82/80/1137658280.db2.gz BVBAMSMCEKCNPG-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876656011 1137658281 /nfs/dbraw/zinc/65/82/81/1137658281.db2.gz BVBAMSMCEKCNPG-GFCCVEGCSA-N 1 2 344.286 3.517 20 0 EHADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@@H](C)CO1 ZINC000876757152 1137660622 /nfs/dbraw/zinc/66/06/22/1137660622.db2.gz DGJKTMHYUHJTCS-IFXJQAMLSA-N 1 2 338.407 3.804 20 0 EHADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)[C@@H](C)CO1 ZINC000876757152 1137660623 /nfs/dbraw/zinc/66/06/23/1137660623.db2.gz DGJKTMHYUHJTCS-IFXJQAMLSA-N 1 2 338.407 3.804 20 0 EHADLO COC(=O)N(C)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000876824214 1137662919 /nfs/dbraw/zinc/66/29/19/1137662919.db2.gz XSRPGUZZKJKLRS-UHFFFAOYSA-N 1 2 329.400 3.522 20 0 EHADLO C[C@@H]1CN(c2ccc([NH2+]C[C@@H]3CC3(Cl)Cl)cc2)C[C@H](C)O1 ZINC000876854944 1137663776 /nfs/dbraw/zinc/66/37/76/1137663776.db2.gz VXTDLLOBIUDIFB-XQQFMLRXSA-N 1 2 329.271 3.906 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1Br ZINC000877485796 1137677974 /nfs/dbraw/zinc/67/79/74/1137677974.db2.gz AEZKCYSEHOHREB-UWVGGRQHSA-N 1 2 337.183 3.925 20 0 EHADLO CCOc1ccc(C2=CC[N@H+](Cc3ccc(Cl)nn3)CC2)cc1 ZINC000877175003 1137672360 /nfs/dbraw/zinc/67/23/60/1137672360.db2.gz JCUXKHHCLBXKNF-UHFFFAOYSA-N 1 2 329.831 3.818 20 0 EHADLO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(Cl)nn3)CC2)cc1 ZINC000877175003 1137672361 /nfs/dbraw/zinc/67/23/61/1137672361.db2.gz JCUXKHHCLBXKNF-UHFFFAOYSA-N 1 2 329.831 3.818 20 0 EHADLO COC(=O)Nc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1F ZINC000877197760 1137672778 /nfs/dbraw/zinc/67/27/78/1137672778.db2.gz XGXOGTYDIHGEJF-UHFFFAOYSA-N 1 2 333.363 3.637 20 0 EHADLO CCC[N@H+](Cc1ccc(Cl)nn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000877482361 1137677901 /nfs/dbraw/zinc/67/79/01/1137677901.db2.gz HWCZAXSSZBCTSP-AWEZNQCLSA-N 1 2 346.862 3.678 20 0 EHADLO CCC[N@@H+](Cc1ccc(Cl)nn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000877482361 1137677902 /nfs/dbraw/zinc/67/79/02/1137677902.db2.gz HWCZAXSSZBCTSP-AWEZNQCLSA-N 1 2 346.862 3.678 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1Br ZINC000877485796 1137677973 /nfs/dbraw/zinc/67/79/73/1137677973.db2.gz AEZKCYSEHOHREB-UWVGGRQHSA-N 1 2 337.183 3.925 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C1CCC1 ZINC000825973335 1137679057 /nfs/dbraw/zinc/67/90/57/1137679057.db2.gz DYZGEMNTYRPYLO-IBGZPJMESA-N 1 2 338.455 3.737 20 0 EHADLO CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)n1 ZINC000877645505 1137684177 /nfs/dbraw/zinc/68/41/77/1137684177.db2.gz NFTZICRFOBJYMK-OAHLLOKOSA-N 1 2 331.485 3.627 20 0 EHADLO CC(C)(C)c1csc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)n1 ZINC000877645505 1137684178 /nfs/dbraw/zinc/68/41/78/1137684178.db2.gz NFTZICRFOBJYMK-OAHLLOKOSA-N 1 2 331.485 3.627 20 0 EHADLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Br)c1ccns1 ZINC000877658610 1137684632 /nfs/dbraw/zinc/68/46/32/1137684632.db2.gz ADPFUBOTOVGTKY-ZETCQYMHSA-N 1 2 332.654 3.805 20 0 EHADLO OC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1cccc(C(F)(F)F)c1 ZINC000877664911 1137684809 /nfs/dbraw/zinc/68/48/09/1137684809.db2.gz XWNVJHBSDWNHHU-GFCCVEGCSA-N 1 2 348.727 3.716 20 0 EHADLO Clc1cc(Br)cnc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737378 1137687441 /nfs/dbraw/zinc/68/74/41/1137687441.db2.gz HZQXMJJTTSQXAU-UWVGGRQHSA-N 1 2 347.709 3.682 20 0 EHADLO Clc1cc(Br)cnc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737378 1137687442 /nfs/dbraw/zinc/68/74/42/1137687442.db2.gz HZQXMJJTTSQXAU-UWVGGRQHSA-N 1 2 347.709 3.682 20 0 EHADLO COc1c(C)cnc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1C ZINC000877807231 1137690562 /nfs/dbraw/zinc/69/05/62/1137690562.db2.gz AFWNOZATAXNEAA-UHFFFAOYSA-N 1 2 340.452 3.515 20 0 EHADLO COc1c(C)c[nH+]c(CNCc2nc(-c3ccncc3)cs2)c1C ZINC000877807231 1137690563 /nfs/dbraw/zinc/69/05/63/1137690563.db2.gz AFWNOZATAXNEAA-UHFFFAOYSA-N 1 2 340.452 3.515 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000877820447 1137691652 /nfs/dbraw/zinc/69/16/52/1137691652.db2.gz PRJARGUYOOHUFX-ZDUSSCGKSA-N 1 2 334.407 3.954 20 0 EHADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000877820447 1137691653 /nfs/dbraw/zinc/69/16/53/1137691653.db2.gz PRJARGUYOOHUFX-ZDUSSCGKSA-N 1 2 334.407 3.954 20 0 EHADLO C[C@H]1C[N@H+](Cc2nc3cc(F)ccc3o2)CC[C@@H](C(F)(F)F)O1 ZINC000877822383 1137691928 /nfs/dbraw/zinc/69/19/28/1137691928.db2.gz QYUKIHCBXNRFRP-ZANVPECISA-N 1 2 332.297 3.509 20 0 EHADLO C[C@H]1C[N@@H+](Cc2nc3cc(F)ccc3o2)CC[C@@H](C(F)(F)F)O1 ZINC000877822383 1137691929 /nfs/dbraw/zinc/69/19/29/1137691929.db2.gz QYUKIHCBXNRFRP-ZANVPECISA-N 1 2 332.297 3.509 20 0 EHADLO O[C@H](C[N@@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000126770570 1137694503 /nfs/dbraw/zinc/69/45/03/1137694503.db2.gz DHGCJOCSUCSYII-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO O[C@H](C[N@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000126770570 1137694504 /nfs/dbraw/zinc/69/45/04/1137694504.db2.gz DHGCJOCSUCSYII-LJQANCHMSA-N 1 2 326.827 3.913 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878120896 1137703278 /nfs/dbraw/zinc/70/32/78/1137703278.db2.gz LXFZCNAIULIBGD-OAHLLOKOSA-N 1 2 342.414 3.787 20 0 EHADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878120896 1137703279 /nfs/dbraw/zinc/70/32/79/1137703279.db2.gz LXFZCNAIULIBGD-OAHLLOKOSA-N 1 2 342.414 3.787 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000878197101 1137706736 /nfs/dbraw/zinc/70/67/36/1137706736.db2.gz DZMOSUUAHARWJX-NSHDSACASA-N 1 2 330.806 3.953 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000878268727 1137709255 /nfs/dbraw/zinc/70/92/55/1137709255.db2.gz DQGUDUYWAHJOSL-LJQANCHMSA-N 1 2 348.450 3.688 20 0 EHADLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878284326 1137709673 /nfs/dbraw/zinc/70/96/73/1137709673.db2.gz FRFJORMCSUBBNA-OAHLLOKOSA-N 1 2 349.272 3.617 20 0 EHADLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ncccc1Br ZINC000878284326 1137709674 /nfs/dbraw/zinc/70/96/74/1137709674.db2.gz FRFJORMCSUBBNA-OAHLLOKOSA-N 1 2 349.272 3.617 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ncccc1Br ZINC000878321018 1137710916 /nfs/dbraw/zinc/71/09/16/1137710916.db2.gz SUKFXGVTKXVTOG-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ncccc1Br ZINC000878321018 1137710917 /nfs/dbraw/zinc/71/09/17/1137710917.db2.gz SUKFXGVTKXVTOG-AWEZNQCLSA-N 1 2 335.249 3.521 20 0 EHADLO C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc2c(c1)OCO2 ZINC000878348903 1137711844 /nfs/dbraw/zinc/71/18/44/1137711844.db2.gz YFMOYLKPMXUUPN-VIFPVBQESA-N 1 2 325.195 3.968 20 0 EHADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000878347696 1137711927 /nfs/dbraw/zinc/71/19/27/1137711927.db2.gz QOPWCHJXMALQBY-CYBMUJFWSA-N 1 2 339.395 3.692 20 0 EHADLO COC[C@@H]([NH2+]Cc1coc(-c2ccccc2OC)n1)c1ccccc1 ZINC000878357495 1137712384 /nfs/dbraw/zinc/71/23/84/1137712384.db2.gz LBCKYWKBBCONJW-GOSISDBHSA-N 1 2 338.407 3.828 20 0 EHADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878385541 1137713756 /nfs/dbraw/zinc/71/37/56/1137713756.db2.gz CDDOTYXNYYJPTC-GFCCVEGCSA-N 1 2 348.661 3.546 20 0 EHADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878385541 1137713757 /nfs/dbraw/zinc/71/37/57/1137713757.db2.gz CDDOTYXNYYJPTC-GFCCVEGCSA-N 1 2 348.661 3.546 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391836 1137714124 /nfs/dbraw/zinc/71/41/24/1137714124.db2.gz JETWSMXOMJBBJP-WDEREUQCSA-N 1 2 344.406 3.706 20 0 EHADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878391836 1137714125 /nfs/dbraw/zinc/71/41/25/1137714125.db2.gz JETWSMXOMJBBJP-WDEREUQCSA-N 1 2 344.406 3.706 20 0 EHADLO OC[C@@H]([NH2+]Cc1scnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000878397523 1137714145 /nfs/dbraw/zinc/71/41/45/1137714145.db2.gz RAUBHBVXCSFTEP-SNVBAGLBSA-N 1 2 336.766 3.639 20 0 EHADLO C[C@](O)(C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1)C(F)(F)F ZINC000878439698 1137716012 /nfs/dbraw/zinc/71/60/12/1137716012.db2.gz TZUOGTABIYKQFE-LBPRGKRZSA-N 1 2 345.283 3.824 20 0 EHADLO CSC[C@@H]1CCC[N@H+](Cc2nc(C)c(Br)s2)C1 ZINC000878647666 1137723507 /nfs/dbraw/zinc/72/35/07/1137723507.db2.gz OWIUMFBDTZDMMR-SNVBAGLBSA-N 1 2 335.336 3.789 20 0 EHADLO CSC[C@@H]1CCC[N@@H+](Cc2nc(C)c(Br)s2)C1 ZINC000878647666 1137723508 /nfs/dbraw/zinc/72/35/08/1137723508.db2.gz OWIUMFBDTZDMMR-SNVBAGLBSA-N 1 2 335.336 3.789 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCc3c2cccc3O)sc1Br ZINC000878661174 1137724132 /nfs/dbraw/zinc/72/41/32/1137724132.db2.gz ZFNROKLEQYPBKR-LLVKDONJSA-N 1 2 339.258 3.697 20 0 EHADLO OCC1([C@@H]([NH2+]Cc2nc3c(o2)CCCC3)c2ccccc2)CCCC1 ZINC000878696228 1137725356 /nfs/dbraw/zinc/72/53/56/1137725356.db2.gz VOORZBWNNNQQFK-FQEVSTJZSA-N 1 2 340.467 3.937 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1scnc1Cl ZINC000878814666 1137729025 /nfs/dbraw/zinc/72/90/25/1137729025.db2.gz QXJFDUFTZUBPQZ-WDEREUQCSA-N 1 2 345.896 3.674 20 0 EHADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1scnc1Cl ZINC000878814666 1137729026 /nfs/dbraw/zinc/72/90/26/1137729026.db2.gz QXJFDUFTZUBPQZ-WDEREUQCSA-N 1 2 345.896 3.674 20 0 EHADLO CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921265 1137732210 /nfs/dbraw/zinc/73/22/10/1137732210.db2.gz OIXABWAZRVOPTN-STQMWFEESA-N 1 2 343.393 3.980 20 0 EHADLO CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)O1 ZINC000878921265 1137732211 /nfs/dbraw/zinc/73/22/11/1137732211.db2.gz OIXABWAZRVOPTN-STQMWFEESA-N 1 2 343.393 3.980 20 0 EHADLO COC(=O)c1cccc2c1C[N@H+](Cc1ccccc1OC(C)C)CC2 ZINC001137140528 1137737611 /nfs/dbraw/zinc/73/76/11/1137737611.db2.gz DSPHBYUSFIOERQ-UHFFFAOYSA-N 1 2 339.435 3.819 20 0 EHADLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccccc1OC(C)C)CC2 ZINC001137140528 1137737612 /nfs/dbraw/zinc/73/76/12/1137737612.db2.gz DSPHBYUSFIOERQ-UHFFFAOYSA-N 1 2 339.435 3.819 20 0 EHADLO Cc1cccc2c(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)[nH]nc21 ZINC001137141612 1137741374 /nfs/dbraw/zinc/74/13/74/1137741374.db2.gz CASWUTCAJPUIAU-UXBLZVDNSA-N 1 2 346.478 3.702 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322351 1137744572 /nfs/dbraw/zinc/74/45/72/1137744572.db2.gz VLEMNAIEWCCACE-YOEHRIQHSA-N 1 2 332.469 3.721 20 0 EHADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000879322351 1137744573 /nfs/dbraw/zinc/74/45/73/1137744573.db2.gz VLEMNAIEWCCACE-YOEHRIQHSA-N 1 2 332.469 3.721 20 0 EHADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OC)c1OC ZINC000879464809 1137748508 /nfs/dbraw/zinc/74/85/08/1137748508.db2.gz VCTKSZZHUCHQFO-CYBMUJFWSA-N 1 2 343.383 3.588 20 0 EHADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477202 1137748882 /nfs/dbraw/zinc/74/88/82/1137748882.db2.gz CILRXBSGGYJBEY-SFHVURJKSA-N 1 2 341.492 3.552 20 0 EHADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477202 1137748883 /nfs/dbraw/zinc/74/88/83/1137748883.db2.gz CILRXBSGGYJBEY-SFHVURJKSA-N 1 2 341.492 3.552 20 0 EHADLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558892 1137750973 /nfs/dbraw/zinc/75/09/73/1137750973.db2.gz LWSSIXNBUXXTJP-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO O=C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000879558892 1137750974 /nfs/dbraw/zinc/75/09/74/1137750974.db2.gz LWSSIXNBUXXTJP-MNOVXSKESA-N 1 2 345.295 3.617 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630444 1137752910 /nfs/dbraw/zinc/75/29/10/1137752910.db2.gz JGFNNICMTBPVJU-VQIMIIECSA-N 1 2 331.456 3.560 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000879630444 1137752911 /nfs/dbraw/zinc/75/29/11/1137752911.db2.gz JGFNNICMTBPVJU-VQIMIIECSA-N 1 2 331.456 3.560 20 0 EHADLO Cc1ccccc1Nc1nc(C[NH2+][C@@H](C)c2ccnn2C)cs1 ZINC000879684261 1137755209 /nfs/dbraw/zinc/75/52/09/1137755209.db2.gz HPHBCGDIAKAAOP-ZDUSSCGKSA-N 1 2 327.457 3.779 20 0 EHADLO Clc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Cl)n1 ZINC000879691671 1137755564 /nfs/dbraw/zinc/75/55/64/1137755564.db2.gz GTKMSMHLYZVPRO-AWEZNQCLSA-N 1 2 349.265 3.768 20 0 EHADLO Clc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Cl)n1 ZINC000879691671 1137755565 /nfs/dbraw/zinc/75/55/65/1137755565.db2.gz GTKMSMHLYZVPRO-AWEZNQCLSA-N 1 2 349.265 3.768 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000879728817 1137756778 /nfs/dbraw/zinc/75/67/78/1137756778.db2.gz XJUBMFLKRSDGBA-CQSZACIVSA-N 1 2 327.428 3.725 20 0 EHADLO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000879728817 1137756779 /nfs/dbraw/zinc/75/67/79/1137756779.db2.gz XJUBMFLKRSDGBA-CQSZACIVSA-N 1 2 327.428 3.725 20 0 EHADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccnc(Br)c2)c1 ZINC000879752641 1137758099 /nfs/dbraw/zinc/75/80/99/1137758099.db2.gz VTJYEHDCUOYWBR-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccnc(Br)c2)c1 ZINC000879752641 1137758100 /nfs/dbraw/zinc/75/81/00/1137758100.db2.gz VTJYEHDCUOYWBR-OAHLLOKOSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000879841998 1137760571 /nfs/dbraw/zinc/76/05/71/1137760571.db2.gz NTLXZYMZQFFZNV-HNNXBMFYSA-N 1 2 327.428 3.919 20 0 EHADLO CCOCCCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000879977672 1137763733 /nfs/dbraw/zinc/76/37/33/1137763733.db2.gz YJNJZEPYMLEYGJ-QAQDUYKDSA-N 1 2 333.476 3.518 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999954 1137764223 /nfs/dbraw/zinc/76/42/23/1137764223.db2.gz JARLISCWUXQWCB-NHYWBVRUSA-N 1 2 332.341 3.735 20 0 EHADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(F)c1 ZINC000879999954 1137764224 /nfs/dbraw/zinc/76/42/24/1137764224.db2.gz JARLISCWUXQWCB-NHYWBVRUSA-N 1 2 332.341 3.735 20 0 EHADLO CSc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000880002522 1137764556 /nfs/dbraw/zinc/76/45/56/1137764556.db2.gz ZRRLRDYOKYMIQK-AWEZNQCLSA-N 1 2 332.391 3.621 20 0 EHADLO CSc1ccc(NC(=O)C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000880002522 1137764557 /nfs/dbraw/zinc/76/45/57/1137764557.db2.gz ZRRLRDYOKYMIQK-AWEZNQCLSA-N 1 2 332.391 3.621 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000023667900 1137765718 /nfs/dbraw/zinc/76/57/18/1137765718.db2.gz RJZHHZGVBCNJEM-JTQLQIEISA-N 1 2 339.773 3.645 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000023667900 1137765719 /nfs/dbraw/zinc/76/57/19/1137765719.db2.gz RJZHHZGVBCNJEM-JTQLQIEISA-N 1 2 339.773 3.645 20 0 EHADLO Cc1cc(C)c(CNC(=O)C2(c3cccnc3)CC3(CCC3)C2)c[nH+]1 ZINC000880240663 1137771840 /nfs/dbraw/zinc/77/18/40/1137771840.db2.gz IGVDSFONBUANHR-UHFFFAOYSA-N 1 2 335.451 3.612 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccncc2F)C2(CCC2)CC1 ZINC000880349232 1137775811 /nfs/dbraw/zinc/77/58/11/1137775811.db2.gz ALQILERQTRJKCS-UHFFFAOYSA-N 1 2 349.450 3.586 20 0 EHADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccncc2F)C2(CCC2)CC1 ZINC000880349232 1137775812 /nfs/dbraw/zinc/77/58/12/1137775812.db2.gz ALQILERQTRJKCS-UHFFFAOYSA-N 1 2 349.450 3.586 20 0 EHADLO CCOc1nnc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC000880383630 1137777295 /nfs/dbraw/zinc/77/72/95/1137777295.db2.gz HAKXIDYLOWHPAS-UHFFFAOYSA-N 1 2 345.390 3.981 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880392183 1137777776 /nfs/dbraw/zinc/77/77/76/1137777776.db2.gz NWUFJXYHBHGQKG-UHFFFAOYSA-N 1 2 342.439 3.863 20 0 EHADLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1cc(C3CC3)no1)CC2 ZINC000880392183 1137777777 /nfs/dbraw/zinc/77/77/77/1137777777.db2.gz NWUFJXYHBHGQKG-UHFFFAOYSA-N 1 2 342.439 3.863 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([N@@H+]1CCc3ncncc3C1)CCC2 ZINC000880596929 1137782005 /nfs/dbraw/zinc/78/20/05/1137782005.db2.gz GLQXPDNSPQAVAQ-KRWDZBQOSA-N 1 2 344.256 3.675 20 0 EHADLO Brc1ccc2c(c1)[C@@H]([N@H+]1CCc3ncncc3C1)CCC2 ZINC000880596929 1137782006 /nfs/dbraw/zinc/78/20/06/1137782006.db2.gz GLQXPDNSPQAVAQ-KRWDZBQOSA-N 1 2 344.256 3.675 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCc2ccccc21 ZINC000626132824 1137783672 /nfs/dbraw/zinc/78/36/72/1137783672.db2.gz AFIGUJHIHKJNQD-BXUZGUMPSA-N 1 2 337.370 3.532 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCc2ccccc21 ZINC000626132824 1137783673 /nfs/dbraw/zinc/78/36/73/1137783673.db2.gz AFIGUJHIHKJNQD-BXUZGUMPSA-N 1 2 337.370 3.532 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000880686831 1137784500 /nfs/dbraw/zinc/78/45/00/1137784500.db2.gz NMEGGCYGHUWEOG-UHFFFAOYSA-N 1 2 338.333 3.898 20 0 EHADLO O=C(Nc1ccc(F)c(C(F)F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000880686831 1137784501 /nfs/dbraw/zinc/78/45/01/1137784501.db2.gz NMEGGCYGHUWEOG-UHFFFAOYSA-N 1 2 338.333 3.898 20 0 EHADLO COC[C@@H](C)[N@H+](Cc1nc(CC(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626134096 1137785247 /nfs/dbraw/zinc/78/52/47/1137785247.db2.gz AQIDQSWZXKJKAL-QAPCUYQASA-N 1 2 343.471 3.793 20 0 EHADLO COC[C@@H](C)[N@@H+](Cc1nc(CC(C)C)no1)[C@H]1CCc2ccccc21 ZINC000626134096 1137785248 /nfs/dbraw/zinc/78/52/48/1137785248.db2.gz AQIDQSWZXKJKAL-QAPCUYQASA-N 1 2 343.471 3.793 20 0 EHADLO CCc1nnc(C[N@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)s1 ZINC000626133365 1137788974 /nfs/dbraw/zinc/78/89/74/1137788974.db2.gz MLRCVWQJSCFSRL-CJNGLKHVSA-N 1 2 331.485 3.625 20 0 EHADLO CCc1nnc(C[N@@H+]([C@H](C)COC)[C@H]2CCc3ccccc32)s1 ZINC000626133365 1137788975 /nfs/dbraw/zinc/78/89/75/1137788975.db2.gz MLRCVWQJSCFSRL-CJNGLKHVSA-N 1 2 331.485 3.625 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC000881073231 1137799802 /nfs/dbraw/zinc/79/98/02/1137799802.db2.gz FXXLWHOBTHTLPO-CYBMUJFWSA-N 1 2 344.434 3.878 20 0 EHADLO COc1cccc([C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2(C)C)c1 ZINC000881654838 1137812528 /nfs/dbraw/zinc/81/25/28/1137812528.db2.gz DEPKEFSNRBABBM-KRWDZBQOSA-N 1 2 349.434 3.751 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC000881661366 1137813344 /nfs/dbraw/zinc/81/33/44/1137813344.db2.gz JSJJNWPKBRASSS-INIZCTEOSA-N 1 2 345.874 3.801 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc(CCNc2cc(CO)cc[nH+]2)cc1 ZINC000882078947 1137820699 /nfs/dbraw/zinc/82/06/99/1137820699.db2.gz GZQJECCDZXNFCH-UHFFFAOYSA-N 1 2 343.427 3.576 20 0 EHADLO O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882569947 1137829573 /nfs/dbraw/zinc/82/95/73/1137829573.db2.gz SAXBGRLVXPTBSU-BXUZGUMPSA-N 1 2 341.308 3.657 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCCC1(F)F ZINC000882871980 1137836133 /nfs/dbraw/zinc/83/61/33/1137836133.db2.gz SVPGSXKBUBWKRQ-JKSUJKDBSA-N 1 2 333.382 3.566 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000882873659 1137836391 /nfs/dbraw/zinc/83/63/91/1137836391.db2.gz GXJFJFXLLQSRJW-RTWAWAEBSA-N 1 2 345.446 3.861 20 0 EHADLO CCOc1cc2c(cc1C[NH2+]Cc1nc(C(C)C)c[nH]1)O[C@@H](C)C2 ZINC000882880990 1137836552 /nfs/dbraw/zinc/83/65/52/1137836552.db2.gz SFBNPNPCZJEQIL-ZDUSSCGKSA-N 1 2 329.444 3.545 20 0 EHADLO CC(C)c1c[nH]c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)n1 ZINC000883003565 1137841251 /nfs/dbraw/zinc/84/12/51/1137841251.db2.gz VWQQNYHKRWTQAZ-INIZCTEOSA-N 1 2 341.377 3.549 20 0 EHADLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131208462 1137848400 /nfs/dbraw/zinc/84/84/00/1137848400.db2.gz OJODTCHNJFYVST-INIZCTEOSA-N 1 2 347.480 3.625 20 0 EHADLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131208462 1137848401 /nfs/dbraw/zinc/84/84/01/1137848401.db2.gz OJODTCHNJFYVST-INIZCTEOSA-N 1 2 347.480 3.625 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000131275464 1137849663 /nfs/dbraw/zinc/84/96/63/1137849663.db2.gz FLLOESCJGPTCRL-WJOSTPCTSA-N 1 2 337.291 3.931 20 0 EHADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000131275464 1137849664 /nfs/dbraw/zinc/84/96/64/1137849664.db2.gz FLLOESCJGPTCRL-WJOSTPCTSA-N 1 2 337.291 3.931 20 0 EHADLO COc1ccc2nc(C[NH2+]Cc3ccc(C)nc3Cl)sc2c1 ZINC000883293395 1137853267 /nfs/dbraw/zinc/85/32/67/1137853267.db2.gz RHILEXMRCWCOPW-UHFFFAOYSA-N 1 2 333.844 3.952 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883381073 1137858243 /nfs/dbraw/zinc/85/82/43/1137858243.db2.gz GASNAKUHCRFCLO-UKRRQHHQSA-N 1 2 327.325 3.554 20 0 EHADLO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883381074 1137858260 /nfs/dbraw/zinc/85/82/60/1137858260.db2.gz GASNAKUHCRFCLO-ZFWWWQNUSA-N 1 2 327.325 3.554 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132206549 1137864204 /nfs/dbraw/zinc/86/42/04/1137864204.db2.gz IPJPDKGACVDKMR-HNNXBMFYSA-N 1 2 348.468 3.654 20 0 EHADLO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)SC(C)(C)C2=O)cc1 ZINC000132206549 1137864205 /nfs/dbraw/zinc/86/42/05/1137864205.db2.gz IPJPDKGACVDKMR-HNNXBMFYSA-N 1 2 348.468 3.654 20 0 EHADLO CC1(C)C[C@]1(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000883817957 1137872199 /nfs/dbraw/zinc/87/21/99/1137872199.db2.gz HWIXMZDGZOQGAH-HXUWFJFHSA-N 1 2 344.503 3.545 20 0 EHADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000282844986 1137875308 /nfs/dbraw/zinc/87/53/08/1137875308.db2.gz CXVXQWSIZFFMSE-CXAGYDPISA-N 1 2 332.469 3.603 20 0 EHADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000282844986 1137875309 /nfs/dbraw/zinc/87/53/09/1137875309.db2.gz CXVXQWSIZFFMSE-CXAGYDPISA-N 1 2 332.469 3.603 20 0 EHADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000103298341 1137875797 /nfs/dbraw/zinc/87/57/97/1137875797.db2.gz QMHJJARBHRZLQD-ZDUSSCGKSA-N 1 2 332.835 3.644 20 0 EHADLO C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001626125330 1137878581 /nfs/dbraw/zinc/87/85/81/1137878581.db2.gz BUGDJNKNTMZILQ-YESZJQIVSA-N 1 2 338.455 3.667 20 0 EHADLO CC(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)=C1CCCC1 ZINC000133190738 1137880292 /nfs/dbraw/zinc/88/02/92/1137880292.db2.gz GWQAICZNFJQMCW-QZTJIDSGSA-N 1 2 334.410 3.717 20 0 EHADLO CC(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)=C1CCCC1 ZINC000133190738 1137880293 /nfs/dbraw/zinc/88/02/93/1137880293.db2.gz GWQAICZNFJQMCW-QZTJIDSGSA-N 1 2 334.410 3.717 20 0 EHADLO Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000107178348 1137885717 /nfs/dbraw/zinc/88/57/17/1137885717.db2.gz BFTZQGHVLUGTIZ-UHFFFAOYSA-N 1 2 343.496 3.691 20 0 EHADLO C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000110069331 1137898992 /nfs/dbraw/zinc/89/89/92/1137898992.db2.gz OROYGCSENRIWAJ-HZPDHXFCSA-N 1 2 342.443 3.662 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000111376175 1137904362 /nfs/dbraw/zinc/90/43/62/1137904362.db2.gz LZLQDRYDSDLDJH-NXEZZACHSA-N 1 2 339.411 3.662 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000111376424 1137904390 /nfs/dbraw/zinc/90/43/90/1137904390.db2.gz CUFBJCNDAQIGCI-KBPBESRZSA-N 1 2 335.517 3.751 20 0 EHADLO COCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000112355651 1137907256 /nfs/dbraw/zinc/90/72/56/1137907256.db2.gz SLRXDVPZFJGJCB-LLVKDONJSA-N 1 2 345.270 3.679 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113265591 1137912283 /nfs/dbraw/zinc/91/22/83/1137912283.db2.gz KWVSWWITUSHNFO-FQEVSTJZSA-N 1 2 341.455 3.517 20 0 EHADLO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113265591 1137912284 /nfs/dbraw/zinc/91/22/84/1137912284.db2.gz KWVSWWITUSHNFO-FQEVSTJZSA-N 1 2 341.455 3.517 20 0 EHADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670857 1137916612 /nfs/dbraw/zinc/91/66/12/1137916612.db2.gz OGUQACZGRBELDG-TZMCWYRMSA-N 1 2 334.851 3.619 20 0 EHADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000331670857 1137916613 /nfs/dbraw/zinc/91/66/13/1137916613.db2.gz OGUQACZGRBELDG-TZMCWYRMSA-N 1 2 334.851 3.619 20 0 EHADLO CCC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331673021 1137916663 /nfs/dbraw/zinc/91/66/63/1137916663.db2.gz ZASNLDZXNQUMOG-OAHLLOKOSA-N 1 2 329.444 3.660 20 0 EHADLO CCC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331673021 1137916664 /nfs/dbraw/zinc/91/66/64/1137916664.db2.gz ZASNLDZXNQUMOG-OAHLLOKOSA-N 1 2 329.444 3.660 20 0 EHADLO CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H](C)c1cccnc1 ZINC000115666558 1137922946 /nfs/dbraw/zinc/92/29/46/1137922946.db2.gz YMBDGSBTFKUYCZ-MRXNPFEDSA-N 1 2 349.438 3.560 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c(C)[nH+]1 ZINC000331897215 1137924942 /nfs/dbraw/zinc/92/49/42/1137924942.db2.gz RVDYFPBPHDZIPR-QGZVFWFLSA-N 1 2 343.402 3.751 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000331908464 1137925232 /nfs/dbraw/zinc/92/52/32/1137925232.db2.gz MRIQYSMCZJYFSS-INIZCTEOSA-N 1 2 326.444 3.608 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000332130130 1137932643 /nfs/dbraw/zinc/93/26/43/1137932643.db2.gz JTRAMTATGLFKRF-XOBRGWDASA-N 1 2 345.487 3.628 20 0 EHADLO CC(C)([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000118848545 1137935978 /nfs/dbraw/zinc/93/59/78/1137935978.db2.gz CUIIGALOGWFVCI-UHFFFAOYSA-N 1 2 343.374 3.625 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119583670 1137942856 /nfs/dbraw/zinc/94/28/56/1137942856.db2.gz ZRQXJPFVRFBDRJ-HNNXBMFYSA-N 1 2 342.443 3.618 20 0 EHADLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119583670 1137942857 /nfs/dbraw/zinc/94/28/57/1137942857.db2.gz ZRQXJPFVRFBDRJ-HNNXBMFYSA-N 1 2 342.443 3.618 20 0 EHADLO CSCCCCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000119577281 1137942887 /nfs/dbraw/zinc/94/28/87/1137942887.db2.gz YKIPMYYYSQODTF-UHFFFAOYSA-N 1 2 341.546 3.847 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)c(C)[nH+]1 ZINC000333189196 1137957774 /nfs/dbraw/zinc/95/77/74/1137957774.db2.gz NREVNDFXXFQMTR-CZUORRHYSA-N 1 2 325.412 3.693 20 0 EHADLO C[C@@H]1C[C@H](CC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC(C)(C)C1 ZINC000333215780 1137958521 /nfs/dbraw/zinc/95/85/21/1137958521.db2.gz DMQWJFZEEORGFJ-XLMAVXFVSA-N 1 2 347.503 3.609 20 0 EHADLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000333237624 1137959037 /nfs/dbraw/zinc/95/90/37/1137959037.db2.gz VVQXWVRKNXZEMS-FZKQIMNGSA-N 1 2 337.427 3.788 20 0 EHADLO Cc1cc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc(C)[nH+]1 ZINC000884422459 1137959629 /nfs/dbraw/zinc/95/96/29/1137959629.db2.gz XIGMWMBSNULESD-HOCLYGCPSA-N 1 2 341.377 3.572 20 0 EHADLO OC[C@]1(C(F)(F)F)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000884728221 1137971518 /nfs/dbraw/zinc/97/15/18/1137971518.db2.gz LGDUOZWJMSHAJW-AWEZNQCLSA-N 1 2 348.727 3.778 20 0 EHADLO C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3cccc(F)c3)sc2C1 ZINC000348344348 1137990046 /nfs/dbraw/zinc/99/00/46/1137990046.db2.gz OQMSWQILQJXVIJ-SRCQZFHVSA-N 1 2 346.471 3.715 20 0 EHADLO C[C@@H]1CCc2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3cccc(F)c3)sc2C1 ZINC000348344348 1137990047 /nfs/dbraw/zinc/99/00/47/1137990047.db2.gz OQMSWQILQJXVIJ-SRCQZFHVSA-N 1 2 346.471 3.715 20 0 EHADLO COc1ccc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)c(F)c1OC ZINC000886059525 1138036687 /nfs/dbraw/zinc/03/66/87/1138036687.db2.gz GWPKCRFSAJJIEN-HNNXBMFYSA-N 1 2 347.434 3.788 20 0 EHADLO CC(C)c1nnc2n1CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@H]2C ZINC000886162662 1138054322 /nfs/dbraw/zinc/05/43/22/1138054322.db2.gz VIDADBUXFVVWCB-SJORKVTESA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)c1nnc2n1CC[N@H+](C[C@@H](C)COCc1ccccc1)[C@H]2C ZINC000886162662 1138054326 /nfs/dbraw/zinc/05/43/26/1138054326.db2.gz VIDADBUXFVVWCB-SJORKVTESA-N 1 2 342.487 3.631 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000886263770 1138062437 /nfs/dbraw/zinc/06/24/37/1138062437.db2.gz GJANVMROQLVCRJ-UHFFFAOYSA-N 1 2 348.834 3.767 20 0 EHADLO Clc1ccccc1Cn1cc(C[NH2+]Cc2cc(C3CC3)no2)cn1 ZINC000886272499 1138063264 /nfs/dbraw/zinc/06/32/64/1138063264.db2.gz RBQZBLHKQZOGBZ-UHFFFAOYSA-N 1 2 342.830 3.740 20 0 EHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC3CCC3)n2)C1 ZINC000348382373 1138072923 /nfs/dbraw/zinc/07/29/23/1138072923.db2.gz NNMNHPYDGMTPHS-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC3CCC3)n2)C1 ZINC000348382373 1138072925 /nfs/dbraw/zinc/07/29/25/1138072925.db2.gz NNMNHPYDGMTPHS-ZDUSSCGKSA-N 1 2 336.505 3.639 20 0 EHADLO CC(C)[C@H]([NH2+][C@H]1CCc2cccnc21)c1nc(-c2ccncc2)no1 ZINC000886522180 1138089349 /nfs/dbraw/zinc/08/93/49/1138089349.db2.gz DTEYCXUKTOGWAU-HOTGVXAUSA-N 1 2 335.411 3.501 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000076060213 1138129556 /nfs/dbraw/zinc/12/95/56/1138129556.db2.gz AQPWJJFBWOJEST-UHFFFAOYSA-N 1 2 348.450 3.621 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996678 1138129655 /nfs/dbraw/zinc/12/96/55/1138129655.db2.gz DRRDSZCUGOEISE-VIFPVBQESA-N 1 2 336.304 3.566 20 0 EHADLO O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000076984364 1138136309 /nfs/dbraw/zinc/13/63/09/1138136309.db2.gz GPPUZKSNFPYSGG-KBPBESRZSA-N 1 2 347.821 3.643 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000886797691 1138143219 /nfs/dbraw/zinc/14/32/19/1138143219.db2.gz YYJAJMVEMVXHKU-ZDUSSCGKSA-N 1 2 348.415 3.618 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000886797691 1138143221 /nfs/dbraw/zinc/14/32/21/1138143221.db2.gz YYJAJMVEMVXHKU-ZDUSSCGKSA-N 1 2 348.415 3.618 20 0 EHADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccs1 ZINC000078078310 1138145787 /nfs/dbraw/zinc/14/57/87/1138145787.db2.gz IDKBGMXXHCSKTG-CQSZACIVSA-N 1 2 329.469 3.553 20 0 EHADLO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3ccccc3C)no2)[nH+]1 ZINC000080708884 1138164039 /nfs/dbraw/zinc/16/40/39/1138164039.db2.gz HZKQJUIQPKEJKD-NSHDSACASA-N 1 2 327.413 3.579 20 0 EHADLO COC(=O)[C@@H](Cc1cc2ccccc2o1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000886940473 1138173687 /nfs/dbraw/zinc/17/36/87/1138173687.db2.gz XRVQCXLXQUTSKO-SWLSCSKDSA-N 1 2 337.366 3.542 20 0 EHADLO CCC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCC1 ZINC000084322359 1138179622 /nfs/dbraw/zinc/17/96/22/1138179622.db2.gz OJBRMIDAKXFNJM-UHFFFAOYSA-N 1 2 342.443 3.664 20 0 EHADLO C[N@H+](Cc1csc(COc2ccc(F)cc2)n1)[C@@H]1CCSC1 ZINC000089937968 1138207951 /nfs/dbraw/zinc/20/79/51/1138207951.db2.gz HVZHJRXAHFCBMC-CQSZACIVSA-N 1 2 338.473 3.799 20 0 EHADLO C[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)[C@@H]1CCSC1 ZINC000089937968 1138207953 /nfs/dbraw/zinc/20/79/53/1138207953.db2.gz HVZHJRXAHFCBMC-CQSZACIVSA-N 1 2 338.473 3.799 20 0 EHADLO COc1ccccc1[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccco1 ZINC000090534254 1138211389 /nfs/dbraw/zinc/21/13/89/1138211389.db2.gz STHKMSQOUWLENN-UZLBHIALSA-N 1 2 337.423 3.778 20 0 EHADLO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000092145957 1138225490 /nfs/dbraw/zinc/22/54/90/1138225490.db2.gz HFRYXXWYEFPHRA-UHFFFAOYSA-N 1 2 342.405 3.574 20 0 EHADLO CCN(C(=O)C[N@H+](C)[C@@H](C)c1cccnc1)[C@@H](C)c1ccc(F)cc1 ZINC000093228211 1138235161 /nfs/dbraw/zinc/23/51/61/1138235161.db2.gz RJBYPMOKNLVNIE-HOTGVXAUSA-N 1 2 343.446 3.823 20 0 EHADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)[C@@H](C)c1ccc(F)cc1 ZINC000093228211 1138235165 /nfs/dbraw/zinc/23/51/65/1138235165.db2.gz RJBYPMOKNLVNIE-HOTGVXAUSA-N 1 2 343.446 3.823 20 0 EHADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccccc1C(F)(F)F ZINC000122301025 1138256546 /nfs/dbraw/zinc/25/65/46/1138256546.db2.gz YBTKKKFCIBRDJP-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccccc1C(F)(F)F ZINC000122301025 1138256547 /nfs/dbraw/zinc/25/65/47/1138256547.db2.gz YBTKKKFCIBRDJP-UHFFFAOYSA-N 1 2 349.356 3.704 20 0 EHADLO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(C)c1 ZINC001202745558 1138264007 /nfs/dbraw/zinc/26/40/07/1138264007.db2.gz AEVLGAHITZPLPD-INIZCTEOSA-N 1 2 337.414 3.641 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123432974 1138269971 /nfs/dbraw/zinc/26/99/71/1138269971.db2.gz FLBXXKLZEJIMEP-WFASDCNBSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123587653 1138272082 /nfs/dbraw/zinc/27/20/82/1138272082.db2.gz PTDIVZKNHNUHCA-WFASDCNBSA-N 1 2 337.345 3.625 20 0 EHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000123880027 1138275725 /nfs/dbraw/zinc/27/57/25/1138275725.db2.gz KILAOEZCXBNYJI-QGZVFWFLSA-N 1 2 329.488 3.647 20 0 EHADLO c1c2c(sc1-c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000333515763 1138299406 /nfs/dbraw/zinc/29/94/06/1138299406.db2.gz GAROTXZNHOEHAD-UONOGXRCSA-N 1 2 345.468 3.603 20 0 EHADLO c1c2c(sc1-c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CCCC2 ZINC000333515763 1138299410 /nfs/dbraw/zinc/29/94/10/1138299410.db2.gz GAROTXZNHOEHAD-UONOGXRCSA-N 1 2 345.468 3.603 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000125968545 1138320736 /nfs/dbraw/zinc/32/07/36/1138320736.db2.gz MZCXKLRAMMBZPA-AWEZNQCLSA-N 1 2 341.484 3.848 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000125968545 1138320738 /nfs/dbraw/zinc/32/07/38/1138320738.db2.gz MZCXKLRAMMBZPA-AWEZNQCLSA-N 1 2 341.484 3.848 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000126324859 1138328928 /nfs/dbraw/zinc/32/89/28/1138328928.db2.gz KKHBXWSAXCFFDP-UHFFFAOYSA-N 1 2 344.842 3.733 20 0 EHADLO CN(CCC1CCCCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263670381 1138339719 /nfs/dbraw/zinc/33/97/19/1138339719.db2.gz FFRPDPLGZUNBPU-UHFFFAOYSA-N 1 2 325.456 3.974 20 0 EHADLO COc1c(C)c[nH+]c(CSc2nc(C)nc(C)c2C(C)=O)c1C ZINC000126837207 1138340301 /nfs/dbraw/zinc/34/03/01/1138340301.db2.gz QBFVMAWSZXLBCK-UHFFFAOYSA-N 1 2 331.441 3.609 20 0 EHADLO CCCCc1noc([C@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000263717527 1138348437 /nfs/dbraw/zinc/34/84/37/1138348437.db2.gz OBYQTSOUOOMFDO-YOEHRIQHSA-N 1 2 329.444 3.719 20 0 EHADLO CCCCc1noc([C@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)n1 ZINC000263717527 1138348438 /nfs/dbraw/zinc/34/84/38/1138348438.db2.gz OBYQTSOUOOMFDO-YOEHRIQHSA-N 1 2 329.444 3.719 20 0 EHADLO Cc1ccccc1C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000263744711 1138354916 /nfs/dbraw/zinc/35/49/16/1138354916.db2.gz DNVFFISNLPFAHX-UHFFFAOYSA-N 1 2 345.446 3.701 20 0 EHADLO COc1cccc(C2([NH2+]Cc3cc(O)ccc3Br)CC2)c1 ZINC000127876454 1138373613 /nfs/dbraw/zinc/37/36/13/1138373613.db2.gz IAWQZVMTARUWBL-UHFFFAOYSA-N 1 2 348.240 3.942 20 0 EHADLO Cc1cccc(C(C)(C)CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000263840622 1138378496 /nfs/dbraw/zinc/37/84/96/1138378496.db2.gz QCGDOJAUEVELIU-UHFFFAOYSA-N 1 2 340.471 3.585 20 0 EHADLO C/C(=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000263871464 1138383980 /nfs/dbraw/zinc/38/39/80/1138383980.db2.gz IJCWNJRZMFJFAL-OUKQBFOZSA-N 1 2 329.831 3.873 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000263927783 1138393718 /nfs/dbraw/zinc/39/37/18/1138393718.db2.gz ATPDAPGRXFAXFP-TZMCWYRMSA-N 1 2 332.835 3.713 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccsc3)no2)cc1C ZINC000264091612 1138416693 /nfs/dbraw/zinc/41/66/93/1138416693.db2.gz QATGNVWQPQFQAQ-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccsc3)no2)cc1C ZINC000264091612 1138416695 /nfs/dbraw/zinc/41/66/95/1138416695.db2.gz QATGNVWQPQFQAQ-UHFFFAOYSA-N 1 2 329.425 3.747 20 0 EHADLO CC(C)[C@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264151625 1138429894 /nfs/dbraw/zinc/42/98/94/1138429894.db2.gz MVYHDWWYKJOBKA-ROUUACIJSA-N 1 2 325.456 3.946 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cnc2cnccc2c1 ZINC000336942252 1138431620 /nfs/dbraw/zinc/43/16/20/1138431620.db2.gz IUPXOGMOFDGIPW-UHFFFAOYSA-N 1 2 349.781 3.721 20 0 EHADLO CCN(CC)C(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001212823572 1138457155 /nfs/dbraw/zinc/45/71/55/1138457155.db2.gz FQNYKJMWYYHIQF-UHFFFAOYSA-N 1 2 349.438 3.552 20 0 EHADLO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(C)c1 ZINC000264279582 1138462718 /nfs/dbraw/zinc/46/27/18/1138462718.db2.gz TYRQZOFGULEYBX-KRWDZBQOSA-N 1 2 338.451 3.949 20 0 EHADLO CC[N@H+](Cc1ncnn1-c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000337123237 1138471343 /nfs/dbraw/zinc/47/13/43/1138471343.db2.gz CADGVPNKKGFYEO-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO CC[N@@H+](Cc1ncnn1-c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000337123237 1138471346 /nfs/dbraw/zinc/47/13/46/1138471346.db2.gz CADGVPNKKGFYEO-INIZCTEOSA-N 1 2 336.439 3.859 20 0 EHADLO C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337129544 1138473834 /nfs/dbraw/zinc/47/38/34/1138473834.db2.gz IXQOCUCUCYEXSA-ZACQAIPSSA-N 1 2 329.488 3.752 20 0 EHADLO C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337150057 1138479885 /nfs/dbraw/zinc/47/98/85/1138479885.db2.gz KOIZWSHTBWAHTB-IKGGRYGDSA-N 1 2 329.488 3.752 20 0 EHADLO O=C([C@@H]1CC12CCCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337158019 1138481666 /nfs/dbraw/zinc/48/16/66/1138481666.db2.gz QVITYBKPROAFMW-AEFFLSMTSA-N 1 2 341.499 3.896 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337158023 1138481740 /nfs/dbraw/zinc/48/17/40/1138481740.db2.gz QVITYBKPROAFMW-SJLPKXTDSA-N 1 2 341.499 3.896 20 0 EHADLO Cc1cccc(C2=CC[N@H+](Cc3ncnn3-c3ccccc3)CC2)c1 ZINC000337170409 1138485084 /nfs/dbraw/zinc/48/50/84/1138485084.db2.gz CTNIVJYCAAJMKK-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO Cc1cccc(C2=CC[N@@H+](Cc3ncnn3-c3ccccc3)CC2)c1 ZINC000337170409 1138485085 /nfs/dbraw/zinc/48/50/85/1138485085.db2.gz CTNIVJYCAAJMKK-UHFFFAOYSA-N 1 2 330.435 3.865 20 0 EHADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ncnn1-c1ccccc1 ZINC000337205469 1138494581 /nfs/dbraw/zinc/49/45/81/1138494581.db2.gz KQOMHXQJFCUNRO-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ncnn1-c1ccccc1 ZINC000337205469 1138494583 /nfs/dbraw/zinc/49/45/83/1138494583.db2.gz KQOMHXQJFCUNRO-UHFFFAOYSA-N 1 2 331.423 3.771 20 0 EHADLO CCc1nnc([C@H](C)[NH+]2CCC(F)(c3cccc(OC)c3)CC2)o1 ZINC000337211474 1138496152 /nfs/dbraw/zinc/49/61/52/1138496152.db2.gz DOIYSEREFJTZHC-ZDUSSCGKSA-N 1 2 333.407 3.662 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)OC)ccc2F)o1 ZINC000131151157 1138498587 /nfs/dbraw/zinc/49/85/87/1138498587.db2.gz SRPURBGCQMGLCF-KRWDZBQOSA-N 1 2 347.386 3.689 20 0 EHADLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)OC)ccc2F)o1 ZINC000131151157 1138498603 /nfs/dbraw/zinc/49/86/03/1138498603.db2.gz SRPURBGCQMGLCF-KRWDZBQOSA-N 1 2 347.386 3.689 20 0 EHADLO O=C(Nc1cccc2ccsc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337324303 1138533402 /nfs/dbraw/zinc/53/34/02/1138533402.db2.gz MPDFIEWOIWWHQW-OAHLLOKOSA-N 1 2 339.420 3.982 20 0 EHADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000264488359 1138533891 /nfs/dbraw/zinc/53/38/91/1138533891.db2.gz BUHADDZKQOJGRE-WMZOPIPTSA-N 1 2 340.471 3.547 20 0 EHADLO COc1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c(OC)c1OC ZINC000337386466 1138552640 /nfs/dbraw/zinc/55/26/40/1138552640.db2.gz DGLFVHVMCUACPD-UHFFFAOYSA-N 1 2 345.414 3.718 20 0 EHADLO COc1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)c(OC)c1OC ZINC000337386466 1138552642 /nfs/dbraw/zinc/55/26/42/1138552642.db2.gz DGLFVHVMCUACPD-UHFFFAOYSA-N 1 2 345.414 3.718 20 0 EHADLO O=C(c1cccc(OC2CCCC2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264559399 1138558402 /nfs/dbraw/zinc/55/84/02/1138558402.db2.gz OATWXWCMMCZUNU-UHFFFAOYSA-N 1 2 339.439 3.751 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1nnc2n1CCCCC2 ZINC000264569412 1138561814 /nfs/dbraw/zinc/56/18/14/1138561814.db2.gz SMQWMSTXONZPCE-BPUTZDHNSA-N 1 2 328.460 3.962 20 0 EHADLO O=c1ccccn1C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000337469614 1138578446 /nfs/dbraw/zinc/57/84/46/1138578446.db2.gz VNFIZLLTPXXVPX-GOSISDBHSA-N 1 2 345.402 3.521 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCn1cc[nH+]c1 ZINC000337515350 1138591767 /nfs/dbraw/zinc/59/17/67/1138591767.db2.gz UQHBNRBQUFJENK-MRXNPFEDSA-N 1 2 331.485 3.577 20 0 EHADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264684730 1138603829 /nfs/dbraw/zinc/60/38/29/1138603829.db2.gz PKTNASDXWXWJQP-HOCLYGCPSA-N 1 2 329.469 3.687 20 0 EHADLO O=C(c1ccc(C(F)F)cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337591388 1138615188 /nfs/dbraw/zinc/61/51/88/1138615188.db2.gz MYHDOZSTQKNCOS-MRXNPFEDSA-N 1 2 334.341 3.550 20 0 EHADLO C[C@H](O)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000264783730 1138638354 /nfs/dbraw/zinc/63/83/54/1138638354.db2.gz RGQLQLAHYKOXSX-NSHDSACASA-N 1 2 335.245 3.595 20 0 EHADLO CC(C)c1ccc(C[C@H](C)NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000134057691 1138671035 /nfs/dbraw/zinc/67/10/35/1138671035.db2.gz MQBRQVTWQZEWTR-KRWDZBQOSA-N 1 2 342.487 3.669 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC3=CCCC3)c2C1 ZINC000337954267 1138707204 /nfs/dbraw/zinc/70/72/04/1138707204.db2.gz JBWXBZKTQBMUNW-UHFFFAOYSA-N 1 2 349.478 3.843 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC3=CCCC3)c2C1 ZINC000337954267 1138707207 /nfs/dbraw/zinc/70/72/07/1138707207.db2.gz JBWXBZKTQBMUNW-UHFFFAOYSA-N 1 2 349.478 3.843 20 0 EHADLO C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccncc1F ZINC000337953497 1138707250 /nfs/dbraw/zinc/70/72/50/1138707250.db2.gz LIUDSTZGKAOSSC-SECBINFHSA-N 1 2 325.181 3.540 20 0 EHADLO Cc1cccc(C2(CNC(=O)CCn3cc[nH+]c3)CCCCC2)c1 ZINC000338109492 1138753705 /nfs/dbraw/zinc/75/37/05/1138753705.db2.gz FIKIDLLAPADXDJ-UHFFFAOYSA-N 1 2 325.456 3.600 20 0 EHADLO CCCOc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1OC ZINC000338158869 1138769005 /nfs/dbraw/zinc/76/90/05/1138769005.db2.gz CYJOXJGCECXGNI-UHFFFAOYSA-N 1 2 341.455 3.513 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Cl)c2ncccc12 ZINC000338198397 1138784729 /nfs/dbraw/zinc/78/47/29/1138784729.db2.gz RVPZTDPKDGGNFH-UHFFFAOYSA-N 1 2 340.814 3.515 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2F)nc1 ZINC000338231987 1138795595 /nfs/dbraw/zinc/79/55/95/1138795595.db2.gz CUWRTNLVRPTBIN-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2F)nc1 ZINC000338231987 1138795597 /nfs/dbraw/zinc/79/55/97/1138795597.db2.gz CUWRTNLVRPTBIN-UHFFFAOYSA-N 1 2 339.208 3.624 20 0 EHADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CCC=CCC1 ZINC000887762393 1138799082 /nfs/dbraw/zinc/79/90/82/1138799082.db2.gz XAEAFLKUCMBIMU-UHFFFAOYSA-N 1 2 340.427 3.582 20 0 EHADLO C[C@H]1COCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000338257889 1138803766 /nfs/dbraw/zinc/80/37/66/1138803766.db2.gz ULKCYICMEFGPGB-SNVBAGLBSA-N 1 2 342.226 3.512 20 0 EHADLO C[C@H]1COCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000338257889 1138803772 /nfs/dbraw/zinc/80/37/72/1138803772.db2.gz ULKCYICMEFGPGB-SNVBAGLBSA-N 1 2 342.226 3.512 20 0 EHADLO CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000265359844 1138830496 /nfs/dbraw/zinc/83/04/96/1138830496.db2.gz LVPIOFXRQIJSIL-JQHSSLGASA-N 1 2 325.456 3.946 20 0 EHADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315272 1138830581 /nfs/dbraw/zinc/83/05/81/1138830581.db2.gz LQRVTXKIVCUTLU-HOTGVXAUSA-N 1 2 334.508 3.593 20 0 EHADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncnn2C(C)(C)C)C12CCCCC2 ZINC000338315272 1138830584 /nfs/dbraw/zinc/83/05/84/1138830584.db2.gz LQRVTXKIVCUTLU-HOTGVXAUSA-N 1 2 334.508 3.593 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCCOc2ccc(C)c(C)c2)[nH]1 ZINC000338329417 1138836541 /nfs/dbraw/zinc/83/65/41/1138836541.db2.gz OTYMWJWZMQRAEF-SFHVURJKSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1nnc([C@@H]2CCCC[N@H+]2CCCOc2ccc(C)c(C)c2)[nH]1 ZINC000338329417 1138836548 /nfs/dbraw/zinc/83/65/48/1138836548.db2.gz OTYMWJWZMQRAEF-SFHVURJKSA-N 1 2 328.460 3.726 20 0 EHADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)s1 ZINC000338350258 1138846609 /nfs/dbraw/zinc/84/66/09/1138846609.db2.gz DYELHRHEARFJFP-WFASDCNBSA-N 1 2 335.448 3.728 20 0 EHADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)s1 ZINC000338350258 1138846615 /nfs/dbraw/zinc/84/66/15/1138846615.db2.gz DYELHRHEARFJFP-WFASDCNBSA-N 1 2 335.448 3.728 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)c1coc(C2CCCCC2)n1 ZINC000338382783 1138876416 /nfs/dbraw/zinc/87/64/16/1138876416.db2.gz CNMQELHHDHWTEB-UHFFFAOYSA-N 1 2 342.443 3.739 20 0 EHADLO Cc1csc(C2([NH2+]CC(=O)N(c3ccccc3)C(C)C)CCC2)n1 ZINC000265458996 1138907886 /nfs/dbraw/zinc/90/78/86/1138907886.db2.gz DXYZARYJWDVTMF-UHFFFAOYSA-N 1 2 343.496 3.862 20 0 EHADLO CCC1(C)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000338482414 1138935556 /nfs/dbraw/zinc/93/55/56/1138935556.db2.gz CDSIUEJZFJMQIL-UHFFFAOYSA-N 1 2 326.444 3.594 20 0 EHADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1F ZINC000151555391 1139043359 /nfs/dbraw/zinc/04/33/59/1139043359.db2.gz LCQQWYYEAUTTHF-GDZNZVCISA-N 1 2 348.397 3.515 20 0 EHADLO C[C@H](c1ccco1)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890264830 1139335068 /nfs/dbraw/zinc/33/50/68/1139335068.db2.gz JNDVYOVXGFYELV-WBVHZDCISA-N 1 2 338.411 3.620 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000174587776 1139430049 /nfs/dbraw/zinc/43/00/49/1139430049.db2.gz YZPAOKVALHYKMK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000174587776 1139430051 /nfs/dbraw/zinc/43/00/51/1139430051.db2.gz YZPAOKVALHYKMK-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1ccc(C)c(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001202766814 1139437010 /nfs/dbraw/zinc/43/70/10/1139437010.db2.gz IVJYSDTYYVVVFM-QGZVFWFLSA-N 1 2 325.412 3.774 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1C=CCC1 ZINC000174894248 1139449073 /nfs/dbraw/zinc/44/90/73/1139449073.db2.gz WLVFBRDKBQEOED-KRWDZBQOSA-N 1 2 327.472 3.503 20 0 EHADLO CO[C@H](C)c1nc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cs1 ZINC000175230139 1139473821 /nfs/dbraw/zinc/47/38/21/1139473821.db2.gz DQMYSHFYTRPUBD-CYBMUJFWSA-N 1 2 332.469 3.968 20 0 EHADLO CO[C@H](C)c1nc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cs1 ZINC000175230139 1139473825 /nfs/dbraw/zinc/47/38/25/1139473825.db2.gz DQMYSHFYTRPUBD-CYBMUJFWSA-N 1 2 332.469 3.968 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)o1 ZINC000176125904 1139541031 /nfs/dbraw/zinc/54/10/31/1139541031.db2.gz XBHPDRFEDCTMIF-UHFFFAOYSA-N 1 2 333.457 3.837 20 0 EHADLO C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000176400660 1139556391 /nfs/dbraw/zinc/55/63/91/1139556391.db2.gz PERNBIVGLBXLGT-BEVDRBHNSA-N 1 2 333.435 3.592 20 0 EHADLO O=C(CC[C@@H]1CCOC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176730895 1139575295 /nfs/dbraw/zinc/57/52/95/1139575295.db2.gz IRAGJXJDIDGVMO-OAHLLOKOSA-N 1 2 339.439 3.642 20 0 EHADLO C/C(=C\C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000177546802 1139625841 /nfs/dbraw/zinc/62/58/41/1139625841.db2.gz RKDMZBNHPZRXEJ-NXHOZURCSA-N 1 2 327.403 3.535 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000177549079 1139625932 /nfs/dbraw/zinc/62/59/32/1139625932.db2.gz BVUIUQALABTWPK-FLBZCCBISA-N 1 2 335.860 3.721 20 0 EHADLO O=C(OCc1cccc2[nH+]ccn21)C1(c2ccc(F)cc2F)CCC1 ZINC000777331567 1139637775 /nfs/dbraw/zinc/63/77/75/1139637775.db2.gz CJARYWVYEBLWED-UHFFFAOYSA-N 1 2 342.345 3.778 20 0 EHADLO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177781815 1139641124 /nfs/dbraw/zinc/64/11/24/1139641124.db2.gz KDDDJSQGBODKIX-OAHLLOKOSA-N 1 2 343.471 3.557 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178423313 1139694360 /nfs/dbraw/zinc/69/43/60/1139694360.db2.gz AHBDGAPJJLVKTM-QFIPXVFZSA-N 1 2 337.872 3.718 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178423313 1139694365 /nfs/dbraw/zinc/69/43/65/1139694365.db2.gz AHBDGAPJJLVKTM-QFIPXVFZSA-N 1 2 337.872 3.718 20 0 EHADLO COc1ccc([C@@H]([NH2+]CC(=O)NC(C)C)c2ccccc2Cl)cc1 ZINC000180011749 1139800521 /nfs/dbraw/zinc/80/05/21/1139800521.db2.gz DHTHVMKQHHKORL-LJQANCHMSA-N 1 2 346.858 3.552 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Cl)cc1F ZINC000180264832 1139822382 /nfs/dbraw/zinc/82/23/82/1139822382.db2.gz AWFDLAZXFJPTML-QGZVFWFLSA-N 1 2 336.842 3.894 20 0 EHADLO O=C(CC1CCC(C(F)(F)F)CC1)NCCCNc1cccc[nH+]1 ZINC000180692102 1139856061 /nfs/dbraw/zinc/85/60/61/1139856061.db2.gz ZEWUQJVCBHKXKP-UHFFFAOYSA-N 1 2 343.393 3.759 20 0 EHADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C)o2)cc1 ZINC000181137767 1139887036 /nfs/dbraw/zinc/88/70/36/1139887036.db2.gz UIRPNRQPMYNYCN-SFHVURJKSA-N 1 2 341.386 3.599 20 0 EHADLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(O)c3)n2)cc1 ZINC000181497956 1139911033 /nfs/dbraw/zinc/91/10/33/1139911033.db2.gz DOXQNUPIAYCNQF-CYBMUJFWSA-N 1 2 339.395 3.692 20 0 EHADLO CCc1nnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)[nH]1 ZINC000181750602 1139928311 /nfs/dbraw/zinc/92/83/11/1139928311.db2.gz AHIKTNZEFPHBBN-UHFFFAOYSA-N 1 2 345.834 3.541 20 0 EHADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cs1 ZINC000181865201 1139937196 /nfs/dbraw/zinc/93/71/96/1139937196.db2.gz KONCUKUKXFWHRV-ZDUSSCGKSA-N 1 2 344.484 3.553 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000182018076 1139945421 /nfs/dbraw/zinc/94/54/21/1139945421.db2.gz ZHLIBCAOWAYNDC-ZDUSSCGKSA-N 1 2 341.386 3.947 20 0 EHADLO CN(C)C(=O)CC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000182194439 1139957240 /nfs/dbraw/zinc/95/72/40/1139957240.db2.gz UHFFHWMPVAUZJN-UHFFFAOYSA-N 1 2 349.525 3.562 20 0 EHADLO CCC[N@@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)CC1CC1 ZINC000182375928 1139968532 /nfs/dbraw/zinc/96/85/32/1139968532.db2.gz XHLKQCOLGUNFEW-UHFFFAOYSA-N 1 2 344.484 3.721 20 0 EHADLO CCC[N@H+](Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)CC1CC1 ZINC000182375928 1139968536 /nfs/dbraw/zinc/96/85/36/1139968536.db2.gz XHLKQCOLGUNFEW-UHFFFAOYSA-N 1 2 344.484 3.721 20 0 EHADLO COc1ccc([C@H](CCO)[NH2+]Cc2cc(-c3cccs3)on2)cc1 ZINC000182381982 1139968851 /nfs/dbraw/zinc/96/88/51/1139968851.db2.gz WWDKQGDHPFGKLL-INIZCTEOSA-N 1 2 344.436 3.625 20 0 EHADLO CC[N@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCCC1 ZINC000182402237 1139970064 /nfs/dbraw/zinc/97/00/64/1139970064.db2.gz AUUBSNWDJHDJRQ-UHFFFAOYSA-N 1 2 344.484 3.945 20 0 EHADLO CC[N@@H+](Cc1nnc(C(=O)Nc2ccccc2)s1)C1CCCCC1 ZINC000182402237 1139970065 /nfs/dbraw/zinc/97/00/65/1139970065.db2.gz AUUBSNWDJHDJRQ-UHFFFAOYSA-N 1 2 344.484 3.945 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2csc(-c3ccccc3F)n2)cnn1C ZINC000183342181 1140030980 /nfs/dbraw/zinc/03/09/80/1140030980.db2.gz FQDBFZBQMDXYLK-NSHDSACASA-N 1 2 330.432 3.842 20 0 EHADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3ncnn3CC(C)C)c(C)c2c1 ZINC000184322246 1140096023 /nfs/dbraw/zinc/09/60/23/1140096023.db2.gz BVWFZKDPPLETTP-CQSZACIVSA-N 1 2 342.443 3.848 20 0 EHADLO OCC[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccco1 ZINC000184514462 1140106665 /nfs/dbraw/zinc/10/66/65/1140106665.db2.gz WIFJIDAZGSBAKO-CYBMUJFWSA-N 1 2 344.636 3.909 20 0 EHADLO CCC[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1)c1ccccc1 ZINC000184597289 1140110900 /nfs/dbraw/zinc/11/09/00/1140110900.db2.gz WKDJEVUZCLEVKL-NXHRZFHOSA-N 1 2 344.455 3.603 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C)c1ccc(C)o1 ZINC000184711602 1140116878 /nfs/dbraw/zinc/11/68/78/1140116878.db2.gz MLEDYINGKVMAFX-NVXWUHKLSA-N 1 2 330.428 3.509 20 0 EHADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cs1 ZINC000184726719 1140117457 /nfs/dbraw/zinc/11/74/57/1140117457.db2.gz YBRTWFCVQSCNSI-TZMCWYRMSA-N 1 2 347.459 3.862 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184869541 1140123389 /nfs/dbraw/zinc/12/33/89/1140123389.db2.gz DRQCNQQRBXYQFE-CVEARBPZSA-N 1 2 341.455 3.783 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000184986851 1140129597 /nfs/dbraw/zinc/12/95/97/1140129597.db2.gz GVMWJDNUQNRWIK-JTQLQIEISA-N 1 2 343.374 3.760 20 0 EHADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)no1 ZINC000186417967 1140203226 /nfs/dbraw/zinc/20/32/26/1140203226.db2.gz STVGYLKBRNMYSL-UHFFFAOYSA-N 1 2 344.455 3.993 20 0 EHADLO COc1cc(OC)c([C@@H](C)[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000186554397 1140209836 /nfs/dbraw/zinc/20/98/36/1140209836.db2.gz IWSOSZABZYJVQQ-BXUZGUMPSA-N 1 2 339.819 3.725 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2C1 ZINC000186774280 1140221124 /nfs/dbraw/zinc/22/11/24/1140221124.db2.gz NRXPOJRXWWTBJE-UHFFFAOYSA-N 1 2 332.350 3.648 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2C1 ZINC000186774280 1140221129 /nfs/dbraw/zinc/22/11/29/1140221129.db2.gz NRXPOJRXWWTBJE-UHFFFAOYSA-N 1 2 332.350 3.648 20 0 EHADLO c1csc([C@@H]2CSCC[N@H+]2CCCOCCc2ccccc2)n1 ZINC000187062882 1140235938 /nfs/dbraw/zinc/23/59/38/1140235938.db2.gz VVFGCPPSYVVLHU-KRWDZBQOSA-N 1 2 348.537 3.882 20 0 EHADLO c1csc([C@@H]2CSCC[N@@H+]2CCCOCCc2ccccc2)n1 ZINC000187062882 1140235940 /nfs/dbraw/zinc/23/59/40/1140235940.db2.gz VVFGCPPSYVVLHU-KRWDZBQOSA-N 1 2 348.537 3.882 20 0 EHADLO Cc1coc2ccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc12 ZINC000187977692 1140278850 /nfs/dbraw/zinc/27/88/50/1140278850.db2.gz FENJCTQNIASXIP-HNNXBMFYSA-N 1 2 336.395 3.537 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)CC2 ZINC000188129687 1140284567 /nfs/dbraw/zinc/28/45/67/1140284567.db2.gz POWULZMZJBPVSU-LJQANCHMSA-N 1 2 340.471 3.726 20 0 EHADLO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H]1CCSC1 ZINC000188706393 1140305980 /nfs/dbraw/zinc/30/59/80/1140305980.db2.gz VTTJDQFQFPZAII-AWEZNQCLSA-N 1 2 336.501 3.618 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000188957825 1140315095 /nfs/dbraw/zinc/31/50/95/1140315095.db2.gz AKJZAPNYLIOICR-LJQANCHMSA-N 1 2 336.439 3.588 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189298091 1140333383 /nfs/dbraw/zinc/33/33/83/1140333383.db2.gz OEUMDPDJUZPSJG-GOSISDBHSA-N 1 2 339.418 3.688 20 0 EHADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189298091 1140333392 /nfs/dbraw/zinc/33/33/92/1140333392.db2.gz OEUMDPDJUZPSJG-GOSISDBHSA-N 1 2 339.418 3.688 20 0 EHADLO CCNc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190544354 1140409015 /nfs/dbraw/zinc/40/90/15/1140409015.db2.gz LHVVOQDAWZOEGT-CXAGYDPISA-N 1 2 346.862 3.692 20 0 EHADLO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1C1CC1 ZINC000191728793 1140481653 /nfs/dbraw/zinc/48/16/53/1140481653.db2.gz PRTCKKDKRVWWKX-UHFFFAOYSA-N 1 2 325.441 3.653 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC000191826130 1140488391 /nfs/dbraw/zinc/48/83/91/1140488391.db2.gz TYPPYYXJZKNUFD-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2)n1 ZINC000191826130 1140488393 /nfs/dbraw/zinc/48/83/93/1140488393.db2.gz TYPPYYXJZKNUFD-INIZCTEOSA-N 1 2 330.453 3.965 20 0 EHADLO CCCc1csc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)n1 ZINC000191929100 1140493870 /nfs/dbraw/zinc/49/38/70/1140493870.db2.gz FVBRSHRWBLGAAV-UHFFFAOYSA-N 1 2 349.504 3.799 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192040476 1140498800 /nfs/dbraw/zinc/49/88/00/1140498800.db2.gz FNZORFVKHBAGRB-RHSMWYFYSA-N 1 2 335.835 3.685 20 0 EHADLO CC(C)[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc(Cl)cc1F ZINC000192172891 1140508503 /nfs/dbraw/zinc/50/85/03/1140508503.db2.gz UKYDUNXJKVOURN-BMIGLBTASA-N 1 2 337.830 3.848 20 0 EHADLO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc(C2CC2)no1 ZINC000192746803 1140549610 /nfs/dbraw/zinc/54/96/10/1140549610.db2.gz SLHHKHINXZCXSM-ZQIUZPCESA-N 1 2 327.428 3.766 20 0 EHADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000193957136 1140591822 /nfs/dbraw/zinc/59/18/22/1140591822.db2.gz GYCRMRAPDXWUOD-UHFFFAOYSA-N 1 2 338.238 3.596 20 0 EHADLO c1cc(N2CCSCC2)ccc1[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194162743 1140600090 /nfs/dbraw/zinc/60/00/90/1140600090.db2.gz AFTULCIOBHORMS-FGTMMUONSA-N 1 2 330.497 3.609 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCS1 ZINC000266566583 1140703031 /nfs/dbraw/zinc/70/30/31/1140703031.db2.gz OFEXOBVXDWEVOO-MRXNPFEDSA-N 1 2 327.453 3.721 20 0 EHADLO C[N@H+](Cc1nccn1CC(F)(F)F)[C@H]1CCc2ccc(F)cc21 ZINC000267171465 1140765150 /nfs/dbraw/zinc/76/51/50/1140765150.db2.gz UWBNUTBEDMIFID-AWEZNQCLSA-N 1 2 327.325 3.704 20 0 EHADLO C[N@@H+](Cc1nccn1CC(F)(F)F)[C@H]1CCc2ccc(F)cc21 ZINC000267171465 1140765153 /nfs/dbraw/zinc/76/51/53/1140765153.db2.gz UWBNUTBEDMIFID-AWEZNQCLSA-N 1 2 327.325 3.704 20 0 EHADLO Cc1cc(C)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000267252362 1140772295 /nfs/dbraw/zinc/77/22/95/1140772295.db2.gz LLKCGKASSFNZBT-OAHLLOKOSA-N 1 2 328.412 3.542 20 0 EHADLO CCS[C@H]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000267281276 1140774914 /nfs/dbraw/zinc/77/49/14/1140774914.db2.gz SDSJHSMHSVHWMC-ROUUACIJSA-N 1 2 343.496 3.726 20 0 EHADLO Cc1cc(CCCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)s1 ZINC000267789194 1140833402 /nfs/dbraw/zinc/83/34/02/1140833402.db2.gz LLTMCSQDVBJRNB-UHFFFAOYSA-N 1 2 349.525 3.771 20 0 EHADLO Cc1cc(CCCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)s1 ZINC000267789194 1140833411 /nfs/dbraw/zinc/83/34/11/1140833411.db2.gz LLTMCSQDVBJRNB-UHFFFAOYSA-N 1 2 349.525 3.771 20 0 EHADLO CC(C)S(=O)(=O)CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000268226109 1140905861 /nfs/dbraw/zinc/90/58/61/1140905861.db2.gz NQCGAOFPMJKLGB-UHFFFAOYSA-N 1 2 339.476 3.518 20 0 EHADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000268389217 1140931241 /nfs/dbraw/zinc/93/12/41/1140931241.db2.gz QALUPJTYTXPDKM-KEYYUXOJSA-N 1 2 331.847 3.750 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268830501 1141003100 /nfs/dbraw/zinc/00/31/00/1141003100.db2.gz KKJHTKJHOPTHTP-ZDUSSCGKSA-N 1 2 326.227 3.892 20 0 EHADLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000268830501 1141003107 /nfs/dbraw/zinc/00/31/07/1141003107.db2.gz KKJHTKJHOPTHTP-ZDUSSCGKSA-N 1 2 326.227 3.892 20 0 EHADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268958142 1141034441 /nfs/dbraw/zinc/03/44/41/1141034441.db2.gz AWKZRYDBNFOURZ-KRWDZBQOSA-N 1 2 348.878 3.589 20 0 EHADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268980660 1141038313 /nfs/dbraw/zinc/03/83/13/1141038313.db2.gz QVAIQEFKAOKYEN-UHFFFAOYSA-N 1 2 341.308 3.587 20 0 EHADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H](c2ccsc2)O1 ZINC000269009687 1141045485 /nfs/dbraw/zinc/04/54/85/1141045485.db2.gz MIJOZJPIKKWEPC-XHDPSFHLSA-N 1 2 331.466 3.715 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H](c2ccsc2)O1 ZINC000269009687 1141045493 /nfs/dbraw/zinc/04/54/93/1141045493.db2.gz MIJOZJPIKKWEPC-XHDPSFHLSA-N 1 2 331.466 3.715 20 0 EHADLO CC[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1cnn(C)c1 ZINC000269134097 1141071117 /nfs/dbraw/zinc/07/11/17/1141071117.db2.gz ZZQYPXZLSAYNFY-GOSISDBHSA-N 1 2 340.496 3.903 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000269788596 1141144305 /nfs/dbraw/zinc/14/43/05/1141144305.db2.gz IOTNCNNAXYOSJE-RDTXWAMCSA-N 1 2 338.455 3.657 20 0 EHADLO CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000270181625 1141189397 /nfs/dbraw/zinc/18/93/97/1141189397.db2.gz YVBKEKBIIORNCO-UHFFFAOYSA-N 1 2 325.456 3.764 20 0 EHADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2csc(C)n2)cc1 ZINC000270192351 1141190143 /nfs/dbraw/zinc/19/01/43/1141190143.db2.gz IHLJHZRBDKVNNG-RYUDHWBXSA-N 1 2 338.498 3.657 20 0 EHADLO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000270315757 1141206112 /nfs/dbraw/zinc/20/61/12/1141206112.db2.gz JOWRHHNWRWBIIO-HNNXBMFYSA-N 1 2 339.443 3.516 20 0 EHADLO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000270315757 1141206118 /nfs/dbraw/zinc/20/61/18/1141206118.db2.gz JOWRHHNWRWBIIO-HNNXBMFYSA-N 1 2 339.443 3.516 20 0 EHADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccn(C)n3)CC2)cc1 ZINC000270807531 1141272053 /nfs/dbraw/zinc/27/20/53/1141272053.db2.gz OSTFYYJTPFKMAT-UHFFFAOYSA-N 1 2 339.483 3.714 20 0 EHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H](c1ccccc1)C1CC1 ZINC000270812856 1141273095 /nfs/dbraw/zinc/27/30/95/1141273095.db2.gz QFYOAGZZLIUHOQ-NRFANRHFSA-N 1 2 345.446 3.741 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccncc1 ZINC000271054827 1141301066 /nfs/dbraw/zinc/30/10/66/1141301066.db2.gz YSSWUGCSTVJYCU-SFHVURJKSA-N 1 2 345.512 3.869 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccncc1 ZINC000271054827 1141301070 /nfs/dbraw/zinc/30/10/70/1141301070.db2.gz YSSWUGCSTVJYCU-SFHVURJKSA-N 1 2 345.512 3.869 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000271275160 1141337839 /nfs/dbraw/zinc/33/78/39/1141337839.db2.gz KSVJHBRYYXGFKO-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000271275160 1141337844 /nfs/dbraw/zinc/33/78/44/1141337844.db2.gz KSVJHBRYYXGFKO-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)n1 ZINC000271275160 1141337850 /nfs/dbraw/zinc/33/78/50/1141337850.db2.gz KSVJHBRYYXGFKO-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)n1 ZINC000271275160 1141337859 /nfs/dbraw/zinc/33/78/59/1141337859.db2.gz KSVJHBRYYXGFKO-LBPRGKRZSA-N 1 2 342.340 3.651 20 0 EHADLO Cc1nnc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)s1 ZINC000271413325 1141361005 /nfs/dbraw/zinc/36/10/05/1141361005.db2.gz KNLDQJKURBWCRP-UHFFFAOYSA-N 1 2 328.416 3.756 20 0 EHADLO Cc1nnc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)s1 ZINC000271413325 1141361013 /nfs/dbraw/zinc/36/10/13/1141361013.db2.gz KNLDQJKURBWCRP-UHFFFAOYSA-N 1 2 328.416 3.756 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 ZINC000271614665 1141406630 /nfs/dbraw/zinc/40/66/30/1141406630.db2.gz CAIKWRCYOPSPPO-WMLDXEAASA-N 1 2 348.454 3.999 20 0 EHADLO CCc1nc2ccccc2n1C1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000271634333 1141410422 /nfs/dbraw/zinc/41/04/22/1141410422.db2.gz YVDQCFAATUVMCO-UHFFFAOYSA-N 1 2 341.484 3.596 20 0 EHADLO C[S@](=O)C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000274362075 1141503827 /nfs/dbraw/zinc/50/38/27/1141503827.db2.gz ZZGRNSLOEMZAHO-SZNDQCEHSA-N 1 2 343.279 3.598 20 0 EHADLO Cc1ncccc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339174535 1141517829 /nfs/dbraw/zinc/51/78/29/1141517829.db2.gz VSIYVIZHGAIFCJ-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ncccc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339174535 1141517835 /nfs/dbraw/zinc/51/78/35/1141517835.db2.gz VSIYVIZHGAIFCJ-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccco1)Cc1ccccc1Cl ZINC000339248987 1141539669 /nfs/dbraw/zinc/53/96/69/1141539669.db2.gz VVFCEJPGWPCORN-CQSZACIVSA-N 1 2 334.847 3.975 20 0 EHADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccco1)Cc1ccccc1Cl ZINC000339248987 1141539671 /nfs/dbraw/zinc/53/96/71/1141539671.db2.gz VVFCEJPGWPCORN-CQSZACIVSA-N 1 2 334.847 3.975 20 0 EHADLO Cc1[nH]c(C=O)cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000283042661 1141543951 /nfs/dbraw/zinc/54/39/51/1141543951.db2.gz NMYFFZLIRVCVAU-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO COc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3cccs3)o2)cc1O ZINC000348525627 1141545523 /nfs/dbraw/zinc/54/55/23/1141545523.db2.gz OSTGLZBOXILBSU-LLVKDONJSA-N 1 2 345.424 3.705 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3cccs3)o2)cc1O ZINC000348525627 1141545526 /nfs/dbraw/zinc/54/55/26/1141545526.db2.gz OSTGLZBOXILBSU-LLVKDONJSA-N 1 2 345.424 3.705 20 0 EHADLO Cc1ncc(C[N@@H+]2CCOc3ccc(C)cc3C2)n1-c1ccccc1 ZINC000348639340 1141559845 /nfs/dbraw/zinc/55/98/45/1141559845.db2.gz DDTLMLUHEGGWLJ-UHFFFAOYSA-N 1 2 333.435 3.884 20 0 EHADLO Cc1ncc(C[N@H+]2CCOc3ccc(C)cc3C2)n1-c1ccccc1 ZINC000348639340 1141559848 /nfs/dbraw/zinc/55/98/48/1141559848.db2.gz DDTLMLUHEGGWLJ-UHFFFAOYSA-N 1 2 333.435 3.884 20 0 EHADLO C[C@H](Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348809433 1141584052 /nfs/dbraw/zinc/58/40/52/1141584052.db2.gz OPIUFWYWZCQNMB-HNNXBMFYSA-N 1 2 348.450 3.808 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnc(-c2ccco2)s1 ZINC000348947416 1141614117 /nfs/dbraw/zinc/61/41/17/1141614117.db2.gz BYNPHKCBCWUXSS-UHFFFAOYSA-N 1 2 336.376 3.841 20 0 EHADLO CC(C)c1[nH]ccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000349038277 1141626053 /nfs/dbraw/zinc/62/60/53/1141626053.db2.gz ONPIORSQFXHEIY-TWGQIWQCSA-N 1 2 337.467 3.609 20 0 EHADLO Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083669 1141636394 /nfs/dbraw/zinc/63/63/94/1141636394.db2.gz YOJGDEMWJOXIHC-KZTTYJGESA-N 1 2 344.409 3.853 20 0 EHADLO Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000349083669 1141636396 /nfs/dbraw/zinc/63/63/96/1141636396.db2.gz YOJGDEMWJOXIHC-KZTTYJGESA-N 1 2 344.409 3.853 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(F)cc2Cl)nc1C1CC1 ZINC000349125341 1141642223 /nfs/dbraw/zinc/64/22/23/1141642223.db2.gz DQTRJFLYSXTJFG-UHFFFAOYSA-N 1 2 348.805 3.828 20 0 EHADLO CCC(CC)(CC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349128286 1141642534 /nfs/dbraw/zinc/64/25/34/1141642534.db2.gz JXXYDNQUSBRSLK-UHFFFAOYSA-N 1 2 340.471 3.518 20 0 EHADLO CC(C)(C)c1ncc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000067790281 215214000 /nfs/dbraw/zinc/21/40/00/215214000.db2.gz MMGKEKSKPUXIGI-UHFFFAOYSA-N 1 2 348.859 3.672 20 0 EHADLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)c1 ZINC000103563870 219314139 /nfs/dbraw/zinc/31/41/39/219314139.db2.gz PNCNUIVJDNUGIN-TWGQIWQCSA-N 1 2 334.463 3.775 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1F ZINC000022289348 212287939 /nfs/dbraw/zinc/28/79/39/212287939.db2.gz IMXJCYMDPYVBCR-UHFFFAOYSA-N 1 2 337.395 3.660 20 0 EHADLO CCOc1c(Br)cc(Cl)cc1NCc1[nH]cc[nH+]1 ZINC000049715049 214029432 /nfs/dbraw/zinc/02/94/32/214029432.db2.gz UDDNSILENLCARZ-UHFFFAOYSA-N 1 2 330.613 3.836 20 0 EHADLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc2[nH]ccc2c1 ZINC000608369057 479994866 /nfs/dbraw/zinc/99/48/66/479994866.db2.gz ICHHFZHNLWIUDE-UHFFFAOYSA-N 1 2 330.391 3.558 20 0 EHADLO CC(C)CCn1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000527251090 478419198 /nfs/dbraw/zinc/41/91/98/478419198.db2.gz LTFDVZVSMSODBK-AWEZNQCLSA-N 1 2 343.475 3.519 20 0 EHADLO CC(C)CCn1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000527251090 478419209 /nfs/dbraw/zinc/41/92/09/478419209.db2.gz LTFDVZVSMSODBK-AWEZNQCLSA-N 1 2 343.475 3.519 20 0 EHADLO CC(C)c1cc(NC[C@@H]2CCO[C@H]2c2ccnn2C)nc(C(C)C)[nH+]1 ZINC000275652919 564009736 /nfs/dbraw/zinc/00/97/36/564009736.db2.gz ULFLZYDSICCLAJ-KBXCAEBGSA-N 1 2 343.475 3.647 20 0 EHADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H](CC(C)C)C1 ZINC000822331269 599687005 /nfs/dbraw/zinc/68/70/05/599687005.db2.gz AUDRRCCCYPCGKK-CQSZACIVSA-N 1 2 336.443 3.596 20 0 EHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826269065 609346943 /nfs/dbraw/zinc/34/69/43/609346943.db2.gz ZBBVRTXBEQMTDL-LBPRGKRZSA-N 1 2 340.406 3.553 20 0 EHADLO C[C@@H](c1ccco1)[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449012164 1032057994 /nfs/dbraw/zinc/05/79/94/1032057994.db2.gz ZCURTDPBRFBZBD-AWEZNQCLSA-N 1 2 334.847 3.963 20 0 EHADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449012164 1032058015 /nfs/dbraw/zinc/05/80/15/1032058015.db2.gz ZCURTDPBRFBZBD-AWEZNQCLSA-N 1 2 334.847 3.963 20 0 EHADLO COc1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1OC ZINC000118165571 1032082694 /nfs/dbraw/zinc/08/26/94/1032082694.db2.gz SCDGQXLANDINBZ-UHFFFAOYSA-N 1 2 348.362 3.607 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cn(C)nc3C(F)F)[C@@H](C)CO2)c1 ZINC000274509448 1014158409 /nfs/dbraw/zinc/15/84/09/1014158409.db2.gz UTOQKGBQFRWZLC-YOEHRIQHSA-N 1 2 349.425 3.937 20 0 EHADLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)[C@@H](C)CO2)c1 ZINC000274509448 1014158414 /nfs/dbraw/zinc/15/84/14/1014158414.db2.gz UTOQKGBQFRWZLC-YOEHRIQHSA-N 1 2 349.425 3.937 20 0 EHADLO CC[N@H+](CC(=O)NC[C@H]1CCC(F)(F)C1)Cc1ccccc1Cl ZINC000510041190 1014439277 /nfs/dbraw/zinc/43/92/77/1014439277.db2.gz NBMGZQNDWKFMOA-ZDUSSCGKSA-N 1 2 344.833 3.714 20 0 EHADLO CC[N@@H+](CC(=O)NC[C@H]1CCC(F)(F)C1)Cc1ccccc1Cl ZINC000510041190 1014439279 /nfs/dbraw/zinc/43/92/79/1014439279.db2.gz NBMGZQNDWKFMOA-ZDUSSCGKSA-N 1 2 344.833 3.714 20 0 EHADLO COc1ccc(CC(N)=[NH+]OCc2csc(C3CCCC3)n2)cc1 ZINC000063887481 1014508401 /nfs/dbraw/zinc/50/84/01/1014508401.db2.gz MEIZBEOHYXPPKI-UHFFFAOYSA-N 1 2 345.468 3.841 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+](CC(C)C)C(C)C)s2)cc1 ZINC000182403845 1032093572 /nfs/dbraw/zinc/09/35/72/1032093572.db2.gz QKVPZTKOUHIHBO-UHFFFAOYSA-N 1 2 346.500 3.965 20 0 EHADLO Cc1ccc(NC(=O)c2nnc(C[N@H+](CC(C)C)C(C)C)s2)cc1 ZINC000182403845 1032093591 /nfs/dbraw/zinc/09/35/91/1032093591.db2.gz QKVPZTKOUHIHBO-UHFFFAOYSA-N 1 2 346.500 3.965 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000339463203 1014517810 /nfs/dbraw/zinc/51/78/10/1014517810.db2.gz LTKQOWASVZVSNJ-KRWDZBQOSA-N 1 2 346.434 3.793 20 0 EHADLO CC[C@@H](CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C)cc1 ZINC000339471618 1014538359 /nfs/dbraw/zinc/53/83/59/1014538359.db2.gz XXBPAIYIXQAGMA-WMZOPIPTSA-N 1 2 325.456 3.628 20 0 EHADLO C[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000339469897 1014543957 /nfs/dbraw/zinc/54/39/57/1014543957.db2.gz QOMCMXHDJMKGQQ-BEFAXECRSA-N 1 2 333.435 3.693 20 0 EHADLO CCc1c(NC(=O)Nc2ccc3[nH+]ccn3c2)cnn1CCC(C)C ZINC000683164073 1014662011 /nfs/dbraw/zinc/66/20/11/1014662011.db2.gz MZBDYLZGRNCYRU-UHFFFAOYSA-N 1 2 340.431 3.783 20 0 EHADLO Fc1cc(F)c(C[NH2+]Cc2c(C3CC3)nc3sccn23)c(F)c1 ZINC000339524022 1014700421 /nfs/dbraw/zinc/70/04/21/1014700421.db2.gz ZWYOYOLBBBWXDQ-UHFFFAOYSA-N 1 2 337.370 3.980 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000579809535 1014734487 /nfs/dbraw/zinc/73/44/87/1014734487.db2.gz JAGMKHDMLJRJJX-SFHVURJKSA-N 1 2 337.467 3.722 20 0 EHADLO c1nc2c(n1-c1ccccc1)CC[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000579809535 1014734500 /nfs/dbraw/zinc/73/45/00/1014734500.db2.gz JAGMKHDMLJRJJX-SFHVURJKSA-N 1 2 337.467 3.722 20 0 EHADLO CC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(Cl)c1 ZINC000339541523 1014757799 /nfs/dbraw/zinc/75/77/99/1014757799.db2.gz XBZBTVPSSTYSHM-GOEBONIOSA-N 1 2 346.862 3.724 20 0 EHADLO CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339548708 1014808996 /nfs/dbraw/zinc/80/89/96/1014808996.db2.gz MCFBCDAAJYFTJS-BBRMVZONSA-N 1 2 333.819 3.669 20 0 EHADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000064554948 1014846102 /nfs/dbraw/zinc/84/61/02/1014846102.db2.gz CEGLCDGMCIYZBV-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000064554948 1014846112 /nfs/dbraw/zinc/84/61/12/1014846112.db2.gz CEGLCDGMCIYZBV-UHFFFAOYSA-N 1 2 325.387 3.652 20 0 EHADLO CCc1nc([C@H]2CCCC[N@@H+]2CCCc2cccc(OC)c2)no1 ZINC000607727050 1014851040 /nfs/dbraw/zinc/85/10/40/1014851040.db2.gz AQZWHCOWZUMQMW-QGZVFWFLSA-N 1 2 329.444 3.800 20 0 EHADLO CCc1nc([C@H]2CCCC[N@H+]2CCCc2cccc(OC)c2)no1 ZINC000607727050 1014851056 /nfs/dbraw/zinc/85/10/56/1014851056.db2.gz AQZWHCOWZUMQMW-QGZVFWFLSA-N 1 2 329.444 3.800 20 0 EHADLO c1nc(-c2ccc(CNc3cc(-c4ccncc4)cc[nH+]3)cc2)no1 ZINC001167065375 1014870175 /nfs/dbraw/zinc/87/01/75/1014870175.db2.gz IEOCWWJZXFIGRI-UHFFFAOYSA-N 1 2 329.363 3.806 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCO1 ZINC000932344581 1014942850 /nfs/dbraw/zinc/94/28/50/1014942850.db2.gz LCCMHUNDYVJEAN-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCO1 ZINC000932344581 1014942862 /nfs/dbraw/zinc/94/28/62/1014942862.db2.gz LCCMHUNDYVJEAN-SNVBAGLBSA-N 1 2 342.226 3.654 20 0 EHADLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2c(sc1=O)CCCC2 ZINC000066076604 1015020614 /nfs/dbraw/zinc/02/06/14/1015020614.db2.gz IGKCQOKHUKHWMW-UHFFFAOYSA-N 1 2 341.480 3.530 20 0 EHADLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2c(sc1=O)CCCC2 ZINC000066076604 1015020627 /nfs/dbraw/zinc/02/06/27/1015020627.db2.gz IGKCQOKHUKHWMW-UHFFFAOYSA-N 1 2 341.480 3.530 20 0 EHADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(=O)c4ccccc4o3)c2C1 ZINC000066514997 1015058787 /nfs/dbraw/zinc/05/87/87/1015058787.db2.gz RDNMOCHJYSMDCR-UHFFFAOYSA-N 1 2 348.402 3.771 20 0 EHADLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(=O)c4ccccc4o3)c2C1 ZINC000066514997 1015058800 /nfs/dbraw/zinc/05/88/00/1015058800.db2.gz RDNMOCHJYSMDCR-UHFFFAOYSA-N 1 2 348.402 3.771 20 0 EHADLO C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000683226360 1015142899 /nfs/dbraw/zinc/14/28/99/1015142899.db2.gz FMAIWNQQHOHBTR-LBPRGKRZSA-N 1 2 343.456 3.524 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655156488 1015152608 /nfs/dbraw/zinc/15/26/08/1015152608.db2.gz FMQQKGSQUHMTFI-KRWDZBQOSA-N 1 2 327.472 3.890 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655156488 1015152617 /nfs/dbraw/zinc/15/26/17/1015152617.db2.gz FMQQKGSQUHMTFI-KRWDZBQOSA-N 1 2 327.472 3.890 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655156489 1015152930 /nfs/dbraw/zinc/15/29/30/1015152930.db2.gz FMQQKGSQUHMTFI-QGZVFWFLSA-N 1 2 327.472 3.890 20 0 EHADLO Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655156489 1015152936 /nfs/dbraw/zinc/15/29/36/1015152936.db2.gz FMQQKGSQUHMTFI-QGZVFWFLSA-N 1 2 327.472 3.890 20 0 EHADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000655208715 1015228919 /nfs/dbraw/zinc/22/89/19/1015228919.db2.gz MPYSOUMSTBHQEB-AZUAARDMSA-N 1 2 346.434 3.676 20 0 EHADLO C/C(=C/C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1C ZINC001625806073 1015247055 /nfs/dbraw/zinc/24/70/55/1015247055.db2.gz YYJMICGAWVQEFS-AQTBWJFISA-N 1 2 345.446 3.960 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(Oc3cnccn3)c2)c(C)[nH+]1 ZINC000134408206 1015333824 /nfs/dbraw/zinc/33/38/24/1015333824.db2.gz UYHJGEUIXLXORH-UHFFFAOYSA-N 1 2 334.379 3.841 20 0 EHADLO C=Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000683246182 1015349414 /nfs/dbraw/zinc/34/94/14/1015349414.db2.gz XGVQELDUQCAJGH-IBGZPJMESA-N 1 2 331.419 3.777 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N3[C@H](C)Cc4cc(F)ccc4[C@@H]3C)ccn12 ZINC001266303144 1015358499 /nfs/dbraw/zinc/35/84/99/1015358499.db2.gz INCWPMSQKYEZJZ-OCCSQVGLSA-N 1 2 337.398 3.930 20 0 EHADLO CC(C)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045407959 1015400342 /nfs/dbraw/zinc/40/03/42/1015400342.db2.gz BHYJQYSVAGWMTM-XJKSGUPXSA-N 1 2 334.851 3.622 20 0 EHADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C2 ZINC000339634412 1015438596 /nfs/dbraw/zinc/43/85/96/1015438596.db2.gz UVLIGUPEASTTIU-UHFFFAOYSA-N 1 2 343.492 3.735 20 0 EHADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C2 ZINC000339634412 1015438603 /nfs/dbraw/zinc/43/86/03/1015438603.db2.gz UVLIGUPEASTTIU-UHFFFAOYSA-N 1 2 343.492 3.735 20 0 EHADLO Cc1oc(Br)cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000396716070 1015457267 /nfs/dbraw/zinc/45/72/67/1015457267.db2.gz RHINFQQGQPUQOP-UHFFFAOYSA-N 1 2 346.184 3.789 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000339661961 1015478505 /nfs/dbraw/zinc/47/85/05/1015478505.db2.gz ZKFOTUVOKIABPS-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO Cc1ccnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000339661961 1015478513 /nfs/dbraw/zinc/47/85/13/1015478513.db2.gz ZKFOTUVOKIABPS-CYBMUJFWSA-N 1 2 338.238 3.745 20 0 EHADLO CN(C)c1cc[nH+]c(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c1 ZINC000683252426 1015479512 /nfs/dbraw/zinc/47/95/12/1015479512.db2.gz LOXAZBVSANAKSO-UHFFFAOYSA-N 1 2 345.271 3.697 20 0 EHADLO Fc1cccnc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000126235985 1120026075 /nfs/dbraw/zinc/02/60/75/1120026075.db2.gz YCMDKOYFASJEDF-UHFFFAOYSA-N 1 2 329.600 3.926 20 0 EHADLO COc1cc(C)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000547720479 1015533170 /nfs/dbraw/zinc/53/31/70/1015533170.db2.gz FRLVNHRSKPHCLD-HNNXBMFYSA-N 1 2 344.480 3.584 20 0 EHADLO Clc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000339709338 1015584840 /nfs/dbraw/zinc/58/48/40/1015584840.db2.gz CXRHRXPHMMXYSP-IBGZPJMESA-N 1 2 345.826 3.685 20 0 EHADLO Clc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cc1 ZINC000339709338 1015584847 /nfs/dbraw/zinc/58/48/47/1015584847.db2.gz CXRHRXPHMMXYSP-IBGZPJMESA-N 1 2 345.826 3.685 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2c(F)cccc2C1 ZINC000339776453 1015673476 /nfs/dbraw/zinc/67/34/76/1015673476.db2.gz JNFDVNLBOVLXMR-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2c(F)cccc2C1 ZINC000339776453 1015673479 /nfs/dbraw/zinc/67/34/79/1015673479.db2.gz JNFDVNLBOVLXMR-AWEZNQCLSA-N 1 2 349.409 3.759 20 0 EHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000274967444 1015683306 /nfs/dbraw/zinc/68/33/06/1015683306.db2.gz XPVXSOKYCVHDPQ-GXTWGEPZSA-N 1 2 333.867 3.855 20 0 EHADLO CCCC[N@H+](Cc1csc(CS(C)(=O)=O)n1)C1CCCCC1 ZINC000339799850 1015689529 /nfs/dbraw/zinc/68/95/29/1015689529.db2.gz YCFMJVUUTDTLGB-UHFFFAOYSA-N 1 2 344.546 3.623 20 0 EHADLO CCCC[N@@H+](Cc1csc(CS(C)(=O)=O)n1)C1CCCCC1 ZINC000339799850 1015689534 /nfs/dbraw/zinc/68/95/34/1015689534.db2.gz YCFMJVUUTDTLGB-UHFFFAOYSA-N 1 2 344.546 3.623 20 0 EHADLO Cc1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000650172614 1015716801 /nfs/dbraw/zinc/71/68/01/1015716801.db2.gz RRWPVDPPNVHJGV-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO Cc1ccc(-c2nnc(C[N@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000650172614 1015716808 /nfs/dbraw/zinc/71/68/08/1015716808.db2.gz RRWPVDPPNVHJGV-UHFFFAOYSA-N 1 2 327.428 3.580 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000339846445 1015741123 /nfs/dbraw/zinc/74/11/23/1015741123.db2.gz CFJAQOPIBWRCAD-SFHVURJKSA-N 1 2 331.375 3.571 20 0 EHADLO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1ccccn1 ZINC000275003800 1015743183 /nfs/dbraw/zinc/74/31/83/1015743183.db2.gz OKDKOERZRJIVQQ-NSHDSACASA-N 1 2 345.244 3.582 20 0 EHADLO Cc1ccc(C(=O)C2CC[NH+](Cc3cc4n(n3)CCC4)CC2)c(C)c1 ZINC000649479671 1015778304 /nfs/dbraw/zinc/77/83/04/1015778304.db2.gz FNUSFTHQTYGFRW-UHFFFAOYSA-N 1 2 337.467 3.541 20 0 EHADLO COc1cc(C[N@H+](C)Cc2csc(Br)c2)ccn1 ZINC000339866600 1015794385 /nfs/dbraw/zinc/79/43/85/1015794385.db2.gz NVQVCJBDQHXANC-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2csc(Br)c2)ccn1 ZINC000339866600 1015794391 /nfs/dbraw/zinc/79/43/91/1015794391.db2.gz NVQVCJBDQHXANC-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000339875298 1015801013 /nfs/dbraw/zinc/80/10/13/1015801013.db2.gz INZUQHAHCDSPGE-UHFFFAOYSA-N 1 2 335.329 3.515 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cc(F)cc4c3OCOC4)CCC2)n1 ZINC000275138517 1016088586 /nfs/dbraw/zinc/08/85/86/1016088586.db2.gz DCIIFUKOABSMAF-UHFFFAOYSA-N 1 2 334.416 3.626 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001204439592 1016186463 /nfs/dbraw/zinc/18/64/63/1016186463.db2.gz ZQPHQGHYJCZQTC-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001204439592 1016186466 /nfs/dbraw/zinc/18/64/66/1016186466.db2.gz ZQPHQGHYJCZQTC-SWLSCSKDSA-N 1 2 340.826 3.530 20 0 EHADLO Fc1cc2nc(Cl)c(N3CCC(n4cc[nH+]c4)CC3)nc2cc1F ZINC001167123560 1016187972 /nfs/dbraw/zinc/18/79/72/1016187972.db2.gz CANWPUJGBRYKCK-UHFFFAOYSA-N 1 2 349.772 3.599 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCCCCC1 ZINC000025407363 1016279301 /nfs/dbraw/zinc/27/93/01/1016279301.db2.gz APXPXBFYEANLFO-GFCCVEGCSA-N 1 2 325.250 3.652 20 0 EHADLO Cc1cccc(C[NH+](Cc2ccc(CO)cc2)Cc2cccc(C)n2)n1 ZINC000182884699 1032146009 /nfs/dbraw/zinc/14/60/09/1032146009.db2.gz MSJYNEVXMKADOO-UHFFFAOYSA-N 1 2 347.462 3.788 20 0 EHADLO CC(C)c1ccccc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275362148 1016563080 /nfs/dbraw/zinc/56/30/80/1016563080.db2.gz WMQSJFXYYVQGQO-KDOFPFPSSA-N 1 2 342.443 3.585 20 0 EHADLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1cnn(C2CCC2)c1 ZINC000926812159 1016618640 /nfs/dbraw/zinc/61/86/40/1016618640.db2.gz KFZMHUILWZEUOO-VIFPVBQESA-N 1 2 341.278 3.678 20 0 EHADLO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cscn1 ZINC000108941675 1016642414 /nfs/dbraw/zinc/64/24/14/1016642414.db2.gz NUAVRRSPBBYNJZ-ZDUSSCGKSA-N 1 2 339.258 3.909 20 0 EHADLO C[C@@H]1CC[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H]2CCCC[C@@H]12 ZINC000782932615 1016758662 /nfs/dbraw/zinc/75/86/62/1016758662.db2.gz BGPQJVIZHKBCRS-GRYCIOLGSA-N 1 2 330.448 3.747 20 0 EHADLO C[C@@H]1CC[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H]2CCCC[C@@H]12 ZINC000782932615 1016758674 /nfs/dbraw/zinc/75/86/74/1016758674.db2.gz BGPQJVIZHKBCRS-GRYCIOLGSA-N 1 2 330.448 3.747 20 0 EHADLO C[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1c1ccccc1 ZINC000430406072 1016810275 /nfs/dbraw/zinc/81/02/75/1016810275.db2.gz UMFOVFNEKVUEFU-VHKYSDTDSA-N 1 2 349.409 3.677 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(C)[nH+]1 ZINC000178939347 1016823044 /nfs/dbraw/zinc/82/30/44/1016823044.db2.gz JOQHYEFQWBHEPT-UHFFFAOYSA-N 1 2 349.390 3.849 20 0 EHADLO Cc1cc(-c2noc([C@@H]([NH3+])[C@@H](C)OCc3ccccc3)n2)ccc1F ZINC000706017270 1016841482 /nfs/dbraw/zinc/84/14/82/1016841482.db2.gz TXRCBSYGXGBWMQ-DYVFJYSZSA-N 1 2 341.386 3.789 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccs2)C[C@H](C)O1 ZINC000046342226 1016859450 /nfs/dbraw/zinc/85/94/50/1016859450.db2.gz UJXUMQPUMBDJSL-OKILXGFUSA-N 1 2 330.453 3.610 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccs2)C[C@H](C)O1 ZINC000046342226 1016859479 /nfs/dbraw/zinc/85/94/79/1016859479.db2.gz UJXUMQPUMBDJSL-OKILXGFUSA-N 1 2 330.453 3.610 20 0 EHADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(C)c(F)c3)nc(N)c2c1C ZINC000181339779 1016919883 /nfs/dbraw/zinc/91/98/83/1016919883.db2.gz NQECBZQZJZTHHF-LLVKDONJSA-N 1 2 328.391 3.720 20 0 EHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000120805087 1016973560 /nfs/dbraw/zinc/97/35/60/1016973560.db2.gz PWSIZGXUGTXYOV-UONOGXRCSA-N 1 2 334.427 3.609 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@H]3CCC[C@H]3CCC(C)C)[nH+]c12 ZINC000590028552 1016984240 /nfs/dbraw/zinc/98/42/40/1016984240.db2.gz FJNMMUBMOJLDFQ-WMZOPIPTSA-N 1 2 327.472 3.906 20 0 EHADLO COc1cc(-c2nc(C[NH2+][C@H](C)c3ccccn3)cs2)ccc1O ZINC000181804044 1016995954 /nfs/dbraw/zinc/99/59/54/1016995954.db2.gz NRNURLXZSZMOHV-GFCCVEGCSA-N 1 2 341.436 3.770 20 0 EHADLO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCO2 ZINC000376740653 1017043258 /nfs/dbraw/zinc/04/32/58/1017043258.db2.gz XMJQABSRPIRBFD-HNNXBMFYSA-N 1 2 348.878 3.998 20 0 EHADLO CC(=O)c1nc(CC[N@@H+](C)Cc2ccc(Cl)cc2Cl)[nH]c1C ZINC000659815460 1017055652 /nfs/dbraw/zinc/05/56/52/1017055652.db2.gz FHIPEQMMCYFQCK-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1nc(CC[N@H+](C)Cc2ccc(Cl)cc2Cl)[nH]c1C ZINC000659815460 1017055660 /nfs/dbraw/zinc/05/56/60/1017055660.db2.gz FHIPEQMMCYFQCK-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1[nH]c(CC[N@@H+](C)Cc2ccc(Cl)cc2Cl)nc1C ZINC000659815460 1017055666 /nfs/dbraw/zinc/05/56/66/1017055666.db2.gz FHIPEQMMCYFQCK-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(=O)c1[nH]c(CC[N@H+](C)Cc2ccc(Cl)cc2Cl)nc1C ZINC000659815460 1017055671 /nfs/dbraw/zinc/05/56/71/1017055671.db2.gz FHIPEQMMCYFQCK-UHFFFAOYSA-N 1 2 340.254 3.902 20 0 EHADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)s1 ZINC000183022439 1032157195 /nfs/dbraw/zinc/15/71/95/1032157195.db2.gz DAYUHUHDUSQGPN-UHFFFAOYSA-N 1 2 349.544 3.927 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cnn1C ZINC000183409213 1032168038 /nfs/dbraw/zinc/16/80/38/1032168038.db2.gz HNGZEBTYLNUFAV-UONOGXRCSA-N 1 2 339.443 3.807 20 0 EHADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183400982 1032169046 /nfs/dbraw/zinc/16/90/46/1032169046.db2.gz MZFYEWWSOJEAEV-PWRODBHTSA-N 1 2 334.394 3.558 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668414622 1032169643 /nfs/dbraw/zinc/16/96/43/1032169643.db2.gz FFIBOWXCMUPQFM-RCCFBDPRSA-N 1 2 327.472 3.514 20 0 EHADLO CC[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000460982516 1032179143 /nfs/dbraw/zinc/17/91/43/1032179143.db2.gz XTNHEXVKIJNDHE-SFHVURJKSA-N 1 2 346.471 3.725 20 0 EHADLO O=c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)nc(C2CC2)[nH]1 ZINC000459502832 1032202997 /nfs/dbraw/zinc/20/29/97/1032202997.db2.gz FFFVXSQZPYMJQP-INIZCTEOSA-N 1 2 331.366 3.675 20 0 EHADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)nc(C2CC2)[nH]1 ZINC000459502832 1032203010 /nfs/dbraw/zinc/20/30/10/1032203010.db2.gz FFFVXSQZPYMJQP-INIZCTEOSA-N 1 2 331.366 3.675 20 0 EHADLO O=C(C[NH2+]Cc1cc(Cl)sc1Cl)NCCc1ccccc1 ZINC000449124750 1032217859 /nfs/dbraw/zinc/21/78/59/1032217859.db2.gz RCMKCWUXNMVRPY-UHFFFAOYSA-N 1 2 343.279 3.503 20 0 EHADLO O=C(c1sc2ncccc2c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528394825 1032220641 /nfs/dbraw/zinc/22/06/41/1032220641.db2.gz IBQYOMAEHTZLIV-SNVBAGLBSA-N 1 2 346.843 3.693 20 0 EHADLO Cc1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(=S)n1Cc1ccccc1 ZINC000176829542 1032226233 /nfs/dbraw/zinc/22/62/33/1032226233.db2.gz ZSHBQQOIIRHKJE-AWEZNQCLSA-N 1 2 330.501 3.849 20 0 EHADLO Cc1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c(=S)n1Cc1ccccc1 ZINC000176829542 1032226241 /nfs/dbraw/zinc/22/62/41/1032226241.db2.gz ZSHBQQOIIRHKJE-AWEZNQCLSA-N 1 2 330.501 3.849 20 0 EHADLO Clc1ccc2c(c1)[C@H](N1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000343757670 1032229140 /nfs/dbraw/zinc/22/91/40/1032229140.db2.gz FXLKOPNAGIKMKT-LJQANCHMSA-N 1 2 327.859 3.540 20 0 EHADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000183804356 1032230039 /nfs/dbraw/zinc/23/00/39/1032230039.db2.gz OVXPHAMCJWYXKV-LBPRGKRZSA-N 1 2 330.819 3.632 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(CNc2[nH+]c(C)nc3[nH]ccc32)c1 ZINC000080956867 1032230927 /nfs/dbraw/zinc/23/09/27/1032230927.db2.gz GYPKLGNZUMPNHB-LBPRGKRZSA-N 1 2 337.427 3.863 20 0 EHADLO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCCO2 ZINC000183844710 1032232886 /nfs/dbraw/zinc/23/28/86/1032232886.db2.gz PLFVMEYLILYARK-KRWDZBQOSA-N 1 2 340.471 3.741 20 0 EHADLO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183865091 1032235318 /nfs/dbraw/zinc/23/53/18/1032235318.db2.gz QPWBAVHDMAZFIU-HNNXBMFYSA-N 1 2 346.862 3.580 20 0 EHADLO Cc1ccc(-c2ccc(C)c(NC(=O)NCCc3cn(C)c[nH+]3)c2)o1 ZINC000459524631 1032242823 /nfs/dbraw/zinc/24/28/23/1032242823.db2.gz MEXUWINSTBJLGX-UHFFFAOYSA-N 1 2 338.411 3.661 20 0 EHADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528411745 1032251416 /nfs/dbraw/zinc/25/14/16/1032251416.db2.gz WBQJORHQOKEBBB-UHFFFAOYSA-N 1 2 344.846 3.521 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC000659822566 1017075755 /nfs/dbraw/zinc/07/57/55/1017075755.db2.gz OMYCUOAGOSTSHV-UHFFFAOYSA-N 1 2 342.439 3.908 20 0 EHADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(C3CC3)no1)CC2 ZINC000659822566 1017075768 /nfs/dbraw/zinc/07/57/68/1017075768.db2.gz OMYCUOAGOSTSHV-UHFFFAOYSA-N 1 2 342.439 3.908 20 0 EHADLO Cc1csc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000184180824 1032262624 /nfs/dbraw/zinc/26/26/24/1032262624.db2.gz XXYNSSABFBEPLT-DGCLKSJQSA-N 1 2 335.860 3.561 20 0 EHADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000568752563 1032268663 /nfs/dbraw/zinc/26/86/63/1032268663.db2.gz RDUQOGRCUNKCKP-QAPCUYQASA-N 1 2 343.858 3.853 20 0 EHADLO Cc1cc(F)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c(Cl)c1 ZINC000459554119 1032272228 /nfs/dbraw/zinc/27/22/28/1032272228.db2.gz CRPWLDOTZBXQLQ-UHFFFAOYSA-N 1 2 348.853 3.776 20 0 EHADLO C[C@H]1C[C@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000184217244 1032273686 /nfs/dbraw/zinc/27/36/86/1032273686.db2.gz KUXJELHEKDDNIT-BBWFWOEESA-N 1 2 331.504 3.664 20 0 EHADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000528426661 1032282819 /nfs/dbraw/zinc/28/28/19/1032282819.db2.gz SDWSCWHJADNKGN-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528426661 1032282830 /nfs/dbraw/zinc/28/28/30/1032282830.db2.gz SDWSCWHJADNKGN-UHFFFAOYSA-N 1 2 340.374 3.750 20 0 EHADLO C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343764460 1032288338 /nfs/dbraw/zinc/28/83/38/1032288338.db2.gz LVJOCORXTNHIKL-SECBINFHSA-N 1 2 341.242 3.758 20 0 EHADLO CC1(C)C[N@H+](Cc2cccc(O)c2Br)[C@@H]1[C@@H]1CCCO1 ZINC000459570104 1032298429 /nfs/dbraw/zinc/29/84/29/1032298429.db2.gz ZVVBXLSDXCJEAY-DZGCQCFKSA-N 1 2 340.261 3.544 20 0 EHADLO CC1(C)C[N@@H+](Cc2cccc(O)c2Br)[C@@H]1[C@@H]1CCCO1 ZINC000459570104 1032298440 /nfs/dbraw/zinc/29/84/40/1032298440.db2.gz ZVVBXLSDXCJEAY-DZGCQCFKSA-N 1 2 340.261 3.544 20 0 EHADLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185034297 1032340776 /nfs/dbraw/zinc/34/07/76/1032340776.db2.gz MRYNNMIVBHPTFY-JSGCOSHPSA-N 1 2 349.525 3.700 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2ncc(C)s2)cs1 ZINC000157757268 1032343771 /nfs/dbraw/zinc/34/37/71/1032343771.db2.gz KETMQXQTGHBJTC-LBPRGKRZSA-N 1 2 325.503 3.680 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2ncc(C)s2)cs1 ZINC000157757268 1032343784 /nfs/dbraw/zinc/34/37/84/1032343784.db2.gz KETMQXQTGHBJTC-LBPRGKRZSA-N 1 2 325.503 3.680 20 0 EHADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000184960588 1032349935 /nfs/dbraw/zinc/34/99/35/1032349935.db2.gz XIEPKKRDPHXJCQ-OAHLLOKOSA-N 1 2 344.480 3.848 20 0 EHADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000184960588 1032349944 /nfs/dbraw/zinc/34/99/44/1032349944.db2.gz XIEPKKRDPHXJCQ-OAHLLOKOSA-N 1 2 344.480 3.848 20 0 EHADLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cccc(Br)c1F ZINC000449254218 1032360806 /nfs/dbraw/zinc/36/08/06/1032360806.db2.gz WTPMRICNUGPYSP-SNVBAGLBSA-N 1 2 326.213 3.515 20 0 EHADLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cccc(Br)c1F ZINC000449254218 1032360814 /nfs/dbraw/zinc/36/08/14/1032360814.db2.gz WTPMRICNUGPYSP-SNVBAGLBSA-N 1 2 326.213 3.515 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000185226040 1032370022 /nfs/dbraw/zinc/37/00/22/1032370022.db2.gz BYQWSMPCTRBWFM-ZDUSSCGKSA-N 1 2 333.432 3.798 20 0 EHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC2=CCCCCC2)C1 ZINC000185270948 1032373636 /nfs/dbraw/zinc/37/36/36/1032373636.db2.gz WQUWCCIAQYKTNA-GOSISDBHSA-N 1 2 344.503 3.665 20 0 EHADLO COC[C@@]1(C)CC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528516000 1032393364 /nfs/dbraw/zinc/39/33/64/1032393364.db2.gz ITMYIBOQUHEKAU-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO COC[C@@]1(C)CC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528516000 1032393376 /nfs/dbraw/zinc/39/33/76/1032393376.db2.gz ITMYIBOQUHEKAU-AWEZNQCLSA-N 1 2 334.204 3.586 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083423020 1032394519 /nfs/dbraw/zinc/39/45/19/1032394519.db2.gz COHHIDMSRTVGAE-UHFFFAOYSA-N 1 2 344.842 3.681 20 0 EHADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083423020 1032394535 /nfs/dbraw/zinc/39/45/35/1032394535.db2.gz COHHIDMSRTVGAE-UHFFFAOYSA-N 1 2 344.842 3.681 20 0 EHADLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519793 1032397613 /nfs/dbraw/zinc/39/76/13/1032397613.db2.gz NSAPFCHZFWGCPP-AEFFLSMTSA-N 1 2 328.456 3.740 20 0 EHADLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCN1C1CCCCC1 ZINC000528519793 1032397617 /nfs/dbraw/zinc/39/76/17/1032397617.db2.gz NSAPFCHZFWGCPP-AEFFLSMTSA-N 1 2 328.456 3.740 20 0 EHADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503820 1032408490 /nfs/dbraw/zinc/40/84/90/1032408490.db2.gz LAGXUKURKHSMNA-QMTHXVAHSA-N 1 2 346.780 3.562 20 0 EHADLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1(F)F ZINC000528503820 1032408497 /nfs/dbraw/zinc/40/84/97/1032408497.db2.gz LAGXUKURKHSMNA-QMTHXVAHSA-N 1 2 346.780 3.562 20 0 EHADLO C[C@@H](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)n1cc[nH+]c1 ZINC000584401535 1032422087 /nfs/dbraw/zinc/42/20/87/1032422087.db2.gz IGKXCEFXEBWWPA-NSHDSACASA-N 1 2 330.388 3.736 20 0 EHADLO CC(C)CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000459699140 1032423872 /nfs/dbraw/zinc/42/38/72/1032423872.db2.gz JJLCZHZETPFZQR-UHFFFAOYSA-N 1 2 330.476 3.817 20 0 EHADLO CC(C)c1cc(C[NH2+]Cc2cccc(F)c2Br)on1 ZINC000648452021 1032427759 /nfs/dbraw/zinc/42/77/59/1032427759.db2.gz AWJZMQZFOBBYIQ-UHFFFAOYSA-N 1 2 327.197 3.989 20 0 EHADLO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459770904 1032460823 /nfs/dbraw/zinc/46/08/23/1032460823.db2.gz SXDZLSBPTWSFEY-INIZCTEOSA-N 1 2 342.826 3.577 20 0 EHADLO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459770904 1032460830 /nfs/dbraw/zinc/46/08/30/1032460830.db2.gz SXDZLSBPTWSFEY-INIZCTEOSA-N 1 2 342.826 3.577 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1C ZINC000085786620 1032466267 /nfs/dbraw/zinc/46/62/67/1032466267.db2.gz SKZJHVWXHOFRAP-QGZVFWFLSA-N 1 2 329.444 3.831 20 0 EHADLO CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1C ZINC000085786620 1032466271 /nfs/dbraw/zinc/46/62/71/1032466271.db2.gz SKZJHVWXHOFRAP-QGZVFWFLSA-N 1 2 329.444 3.831 20 0 EHADLO Cc1noc(C23CC(C2)C[N@H+]3[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000528632484 1032526817 /nfs/dbraw/zinc/52/68/17/1032526817.db2.gz ZCVNDJDPOICYDD-MMODKWEGSA-N 1 2 335.354 3.662 20 0 EHADLO Cc1noc(C23CC(C2)C[N@@H+]3[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000528632484 1032526825 /nfs/dbraw/zinc/52/68/25/1032526825.db2.gz ZCVNDJDPOICYDD-MMODKWEGSA-N 1 2 335.354 3.662 20 0 EHADLO O=C(NC1CC1)[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000528658822 1032545301 /nfs/dbraw/zinc/54/53/01/1032545301.db2.gz NQJYEUGHFBLAII-VQTJNVASSA-N 1 2 335.451 3.532 20 0 EHADLO OC[C@@]1(F)C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000449431907 1032549670 /nfs/dbraw/zinc/54/96/70/1032549670.db2.gz ZPMRJGUSOHRUAY-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO OC[C@@]1(F)C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000449431907 1032549673 /nfs/dbraw/zinc/54/96/73/1032549673.db2.gz ZPMRJGUSOHRUAY-WMZOPIPTSA-N 1 2 337.797 3.779 20 0 EHADLO COc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1F ZINC000528676603 1032564134 /nfs/dbraw/zinc/56/41/34/1032564134.db2.gz SUVDOHAJPCTZMJ-UHFFFAOYSA-N 1 2 331.347 3.502 20 0 EHADLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000119096637 1032567668 /nfs/dbraw/zinc/56/76/68/1032567668.db2.gz HSFASXFJQARXQM-UHFFFAOYSA-N 1 2 340.423 3.516 20 0 EHADLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000119096637 1032567671 /nfs/dbraw/zinc/56/76/71/1032567671.db2.gz HSFASXFJQARXQM-UHFFFAOYSA-N 1 2 340.423 3.516 20 0 EHADLO CCOc1cccc(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)n1 ZINC000592817854 1032590019 /nfs/dbraw/zinc/59/00/19/1032590019.db2.gz COMHUYDGJGEWFN-CQSZACIVSA-N 1 2 347.409 3.642 20 0 EHADLO COc1cccc([C@@H](C)OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000761003630 1032614848 /nfs/dbraw/zinc/61/48/48/1032614848.db2.gz UDOHYMWMANAZPN-JKSUJKDBSA-N 1 2 339.435 3.746 20 0 EHADLO COc1cccc([C@@H](C)OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000761003630 1032614856 /nfs/dbraw/zinc/61/48/56/1032614856.db2.gz UDOHYMWMANAZPN-JKSUJKDBSA-N 1 2 339.435 3.746 20 0 EHADLO COc1cc(C[N@H+](C)Cc2ccc(Br)s2)sn1 ZINC000659820663 1017070142 /nfs/dbraw/zinc/07/01/42/1017070142.db2.gz IZSVSLMRYIOBKR-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO COc1cc(C[N@@H+](C)Cc2ccc(Br)s2)sn1 ZINC000659820663 1017070145 /nfs/dbraw/zinc/07/01/45/1017070145.db2.gz IZSVSLMRYIOBKR-UHFFFAOYSA-N 1 2 333.276 3.608 20 0 EHADLO Cc1cc(NC(=O)CCn2c3ccccc3c3ccccc32)cc[nH+]1 ZINC000602171960 1032680253 /nfs/dbraw/zinc/68/02/53/1032680253.db2.gz QBNCRILPYBJJDP-UHFFFAOYSA-N 1 2 329.403 3.949 20 0 EHADLO COc1cccnc1C[NH2+][C@@H](C)c1sccc1Br ZINC000579920514 1017178860 /nfs/dbraw/zinc/17/88/60/1017178860.db2.gz IEQRMPSCQKPPPX-VIFPVBQESA-N 1 2 327.247 3.765 20 0 EHADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559454 1017223379 /nfs/dbraw/zinc/22/33/79/1017223379.db2.gz RJAZPQLTUBJNRV-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559454 1017223390 /nfs/dbraw/zinc/22/33/90/1017223390.db2.gz RJAZPQLTUBJNRV-AWEZNQCLSA-N 1 2 339.277 3.501 20 0 EHADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3F)s2)cnn1C ZINC000549130699 1017265804 /nfs/dbraw/zinc/26/58/04/1017265804.db2.gz GROMOPZGFMZOBM-WDEREUQCSA-N 1 2 345.447 3.798 20 0 EHADLO Cc1ccc2occ(CC(=O)NCCCCNc3cccc[nH+]3)c2c1 ZINC000625277092 1017270450 /nfs/dbraw/zinc/27/04/50/1017270450.db2.gz QZRAJAYHQCICKL-UHFFFAOYSA-N 1 2 337.423 3.687 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1Oc1ccncc1 ZINC000377098767 1017324129 /nfs/dbraw/zinc/32/41/29/1017324129.db2.gz TXSHMQZVSQAWQZ-OAHLLOKOSA-N 1 2 348.406 3.580 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C)C1CC1 ZINC000606449665 1032693867 /nfs/dbraw/zinc/69/38/67/1032693867.db2.gz AOZGIZSGNLQUKB-UONOGXRCSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C)C1CC1 ZINC000606449665 1032693874 /nfs/dbraw/zinc/69/38/74/1032693874.db2.gz AOZGIZSGNLQUKB-UONOGXRCSA-N 1 2 330.447 3.534 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449453 1032693478 /nfs/dbraw/zinc/69/34/78/1032693478.db2.gz WXDXBCMKEWTACI-HZPDHXFCSA-N 1 2 340.442 3.964 20 0 EHADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449453 1032693488 /nfs/dbraw/zinc/69/34/88/1032693488.db2.gz WXDXBCMKEWTACI-HZPDHXFCSA-N 1 2 340.442 3.964 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000046616879 1017431474 /nfs/dbraw/zinc/43/14/74/1017431474.db2.gz ABDXXPYHGANKCG-UHFFFAOYSA-N 1 2 331.419 3.634 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449966 1032694531 /nfs/dbraw/zinc/69/45/31/1032694531.db2.gz KOYBAPQVZLKFHO-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449966 1032694538 /nfs/dbraw/zinc/69/45/38/1032694538.db2.gz KOYBAPQVZLKFHO-CQSZACIVSA-N 1 2 326.415 3.946 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449454 1032694792 /nfs/dbraw/zinc/69/47/92/1032694792.db2.gz WXDXBCMKEWTACI-JKSUJKDBSA-N 1 2 340.442 3.964 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449454 1032694802 /nfs/dbraw/zinc/69/48/02/1032694802.db2.gz WXDXBCMKEWTACI-JKSUJKDBSA-N 1 2 340.442 3.964 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(C)c[nH+]1 ZINC000574036086 1032700450 /nfs/dbraw/zinc/70/04/50/1032700450.db2.gz NQEWILNEBYIROE-HNNXBMFYSA-N 1 2 329.831 3.795 20 0 EHADLO C[C@@H]1C[C@H](C)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000121494032 1017455291 /nfs/dbraw/zinc/45/52/91/1017455291.db2.gz NFVMUJRVMOOWQH-IAGOWNOFSA-N 1 2 340.471 3.509 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccccc2Cl)[nH+]1 ZINC000066780803 1017545093 /nfs/dbraw/zinc/54/50/93/1017545093.db2.gz XVUKXYBVHDWSGN-UHFFFAOYSA-N 1 2 333.815 3.850 20 0 EHADLO C[C@H]([NH2+]Cc1cccc2c1NCC2)c1nc(-c2cccc(F)c2)no1 ZINC000415110929 1017559698 /nfs/dbraw/zinc/55/96/98/1017559698.db2.gz TWEMVTQSCSSFTD-LBPRGKRZSA-N 1 2 338.386 3.695 20 0 EHADLO Cc1ccccc1-n1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)nn1 ZINC000377298820 1017601775 /nfs/dbraw/zinc/60/17/75/1017601775.db2.gz WWAGTDKQDBGCSK-NHCUHLMSSA-N 1 2 348.450 3.586 20 0 EHADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 ZINC000655794030 1017625133 /nfs/dbraw/zinc/62/51/33/1017625133.db2.gz HITBYKZENWBZIF-ULQDDVLXSA-N 1 2 326.444 3.630 20 0 EHADLO CCCCc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655795450 1017628461 /nfs/dbraw/zinc/62/84/61/1017628461.db2.gz BWQXMXQWMPUOBQ-YOEHRIQHSA-N 1 2 328.460 3.850 20 0 EHADLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001143493259 1017668882 /nfs/dbraw/zinc/66/88/82/1017668882.db2.gz GVYRNFFWYJGPCI-UHFFFAOYSA-N 1 2 348.393 3.802 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)cc1Br ZINC000923883038 1017683418 /nfs/dbraw/zinc/68/34/18/1017683418.db2.gz ZKFADDSNMAOEHC-GHMZBOCLSA-N 1 2 345.200 3.802 20 0 EHADLO C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000892912530 1017701814 /nfs/dbraw/zinc/70/18/14/1017701814.db2.gz VCZWBFIHMIDIFY-IUODEOHRSA-N 1 2 343.818 3.674 20 0 EHADLO CC(C)Cn1ccc2c1cccc2C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683618839 1017725354 /nfs/dbraw/zinc/72/53/54/1017725354.db2.gz SAKGUZYNFISTEE-UHFFFAOYSA-N 1 2 349.434 3.596 20 0 EHADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000340423585 1017730837 /nfs/dbraw/zinc/73/08/37/1017730837.db2.gz GCRBPFYCFBRPDI-MNOVXSKESA-N 1 2 336.233 3.660 20 0 EHADLO COc1ccc([C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C2CC2)cc1 ZINC000574097892 1032720018 /nfs/dbraw/zinc/72/00/18/1032720018.db2.gz HVPJLKIJCGOIKF-IBGZPJMESA-N 1 2 335.407 3.532 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc3cccnc31)CCO2 ZINC000449526265 1032723516 /nfs/dbraw/zinc/72/35/16/1032723516.db2.gz VGVCOBVQBCGPHC-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)cc3cccnc31)CCO2 ZINC000449526265 1032723531 /nfs/dbraw/zinc/72/35/31/1032723531.db2.gz VGVCOBVQBCGPHC-UHFFFAOYSA-N 1 2 338.382 3.777 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792610 1017926325 /nfs/dbraw/zinc/92/63/25/1017926325.db2.gz UNNGAQFOCYJPPZ-MRXNPFEDSA-N 1 2 339.483 3.799 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066792610 1017926337 /nfs/dbraw/zinc/92/63/37/1017926337.db2.gz UNNGAQFOCYJPPZ-MRXNPFEDSA-N 1 2 339.483 3.799 20 0 EHADLO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(Cl)s2)c2cc(F)ccc21 ZINC000071306504 1017968020 /nfs/dbraw/zinc/96/80/20/1017968020.db2.gz CQMXZANASZNELW-LBPRGKRZSA-N 1 2 345.848 3.549 20 0 EHADLO Cc1ccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1F ZINC000377593495 1018025687 /nfs/dbraw/zinc/02/56/87/1018025687.db2.gz PNIAZPLCSYJUMZ-OAHLLOKOSA-N 1 2 338.386 3.963 20 0 EHADLO c1coc([C@H]([NH2+]Cc2cnc(C3OCCO3)s2)c2ccccc2)c1 ZINC000377620811 1018081363 /nfs/dbraw/zinc/08/13/63/1018081363.db2.gz WSNFEVDSUSIBNI-MRXNPFEDSA-N 1 2 342.420 3.661 20 0 EHADLO CC(C)c1cnc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)s1 ZINC000449533322 1032744004 /nfs/dbraw/zinc/74/40/04/1032744004.db2.gz JYFZNDBABIQRBL-HNNXBMFYSA-N 1 2 331.485 3.576 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(F)cc3)n2)on1 ZINC000728706935 1018202041 /nfs/dbraw/zinc/20/20/41/1018202041.db2.gz YIYCAHHTQLBHJW-QGZVFWFLSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cn2ccc(-c3ccc(F)cc3)n2)on1 ZINC000728706935 1018202048 /nfs/dbraw/zinc/20/20/48/1018202048.db2.gz YIYCAHHTQLBHJW-QGZVFWFLSA-N 1 2 326.375 3.780 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000377705294 1018224839 /nfs/dbraw/zinc/22/48/39/1018224839.db2.gz OAIAZCFHNTXPAW-AWEZNQCLSA-N 1 2 338.879 3.785 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000377705294 1018224849 /nfs/dbraw/zinc/22/48/49/1018224849.db2.gz OAIAZCFHNTXPAW-AWEZNQCLSA-N 1 2 338.879 3.785 20 0 EHADLO CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155544968 1018239276 /nfs/dbraw/zinc/23/92/76/1018239276.db2.gz OHMMBHVJCJMARE-IBGZPJMESA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)(CCCc1ccccc1)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340531042 1018243484 /nfs/dbraw/zinc/24/34/84/1018243484.db2.gz IUHMOICDLVJBTG-IBGZPJMESA-N 1 2 349.482 3.928 20 0 EHADLO Cc1ccccc1C(N)=[NH+]OCC(=O)Nc1ccccc1C(C)(C)C ZINC000049874498 1018269217 /nfs/dbraw/zinc/26/92/17/1018269217.db2.gz GNZYWKOFNCDNOR-UHFFFAOYSA-N 1 2 339.439 3.568 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000053238115 1018331835 /nfs/dbraw/zinc/33/18/35/1018331835.db2.gz QSLMWONOOJECCL-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000053238115 1018331849 /nfs/dbraw/zinc/33/18/49/1018331849.db2.gz QSLMWONOOJECCL-UHFFFAOYSA-N 1 2 338.451 3.915 20 0 EHADLO c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)s2)cc1 ZINC000377775856 1018349810 /nfs/dbraw/zinc/34/98/10/1018349810.db2.gz IDEOJDJRRUTPIM-WBVHZDCISA-N 1 2 341.480 3.739 20 0 EHADLO c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)s2)cc1 ZINC000377775856 1018349832 /nfs/dbraw/zinc/34/98/32/1018349832.db2.gz IDEOJDJRRUTPIM-WBVHZDCISA-N 1 2 341.480 3.739 20 0 EHADLO FC(F)(F)c1ccc(C2(c3noc(Cn4cc[nH+]c4)n3)CCC2)cc1 ZINC000656054768 1018379236 /nfs/dbraw/zinc/37/92/36/1018379236.db2.gz PRYLOEVBWSJPKD-UHFFFAOYSA-N 1 2 348.328 3.803 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580831 1032765391 /nfs/dbraw/zinc/76/53/91/1032765391.db2.gz GLIIHRGNFGLVMC-DZGCQCFKSA-N 1 2 338.386 3.883 20 0 EHADLO CC(C)(CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1 ZINC000606583718 1032770610 /nfs/dbraw/zinc/77/06/10/1032770610.db2.gz LMCPXTKLJBZKJL-UHFFFAOYSA-N 1 2 326.375 3.573 20 0 EHADLO Cc1nc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)cs1 ZINC000643124123 1018580392 /nfs/dbraw/zinc/58/03/92/1018580392.db2.gz STMQPEQLBQQTFO-ZDUSSCGKSA-N 1 2 334.832 3.806 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000580092496 1018634393 /nfs/dbraw/zinc/63/43/93/1018634393.db2.gz ICVXRKSLINYGES-QAPCUYQASA-N 1 2 325.456 3.904 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000028176128 1018680780 /nfs/dbraw/zinc/68/07/80/1018680780.db2.gz JDULILPESMVOQI-UKRRQHHQSA-N 1 2 346.521 3.920 20 0 EHADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000028176128 1018680783 /nfs/dbraw/zinc/68/07/83/1018680783.db2.gz JDULILPESMVOQI-UKRRQHHQSA-N 1 2 346.521 3.920 20 0 EHADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000052073560 1018722616 /nfs/dbraw/zinc/72/26/16/1018722616.db2.gz ILYUUWLYYXOCAW-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000052073560 1018722625 /nfs/dbraw/zinc/72/26/25/1018722625.db2.gz ILYUUWLYYXOCAW-CQSZACIVSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000052161913 1018761199 /nfs/dbraw/zinc/76/11/99/1018761199.db2.gz HIXNLUQKRMRFPH-AWEZNQCLSA-N 1 2 337.872 3.807 20 0 EHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000052161913 1018761212 /nfs/dbraw/zinc/76/12/12/1018761212.db2.gz HIXNLUQKRMRFPH-AWEZNQCLSA-N 1 2 337.872 3.807 20 0 EHADLO COc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052276097 1018779725 /nfs/dbraw/zinc/77/97/25/1018779725.db2.gz MVHPJMPTOPPIPW-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO COc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052276097 1018779742 /nfs/dbraw/zinc/77/97/42/1018779742.db2.gz MVHPJMPTOPPIPW-LJQANCHMSA-N 1 2 347.842 3.801 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000056799477 1018798026 /nfs/dbraw/zinc/79/80/26/1018798026.db2.gz XDWULIOYUCJZRG-AWEZNQCLSA-N 1 2 338.411 3.609 20 0 EHADLO CC(C)S(=O)(=O)CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000749790881 1018799662 /nfs/dbraw/zinc/79/96/62/1018799662.db2.gz RIRSNGMXMIIHFA-UHFFFAOYSA-N 1 2 343.920 3.908 20 0 EHADLO CC(C)S(=O)(=O)CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000749790881 1018799677 /nfs/dbraw/zinc/79/96/77/1018799677.db2.gz RIRSNGMXMIIHFA-UHFFFAOYSA-N 1 2 343.920 3.908 20 0 EHADLO CCCc1ccc([C@@H](NC(=O)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000052356511 1018800871 /nfs/dbraw/zinc/80/08/71/1018800871.db2.gz HAGNLWUOLYOMFZ-LJQANCHMSA-N 1 2 339.464 3.803 20 0 EHADLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]Cc1csc(C)n1 ZINC000894166713 1018836704 /nfs/dbraw/zinc/83/67/04/1018836704.db2.gz ZSWQSNWAGARVMX-UHFFFAOYSA-N 1 2 343.452 3.708 20 0 EHADLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000246469494 1018853711 /nfs/dbraw/zinc/85/37/11/1018853711.db2.gz PYHPAGSTTGYGES-JTDSTZFVSA-N 1 2 338.455 3.735 20 0 EHADLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC000047406045 1018884732 /nfs/dbraw/zinc/88/47/32/1018884732.db2.gz PEAOAUAMTIWOCA-IBGZPJMESA-N 1 2 340.373 3.526 20 0 EHADLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC000047406045 1018884753 /nfs/dbraw/zinc/88/47/53/1018884753.db2.gz PEAOAUAMTIWOCA-IBGZPJMESA-N 1 2 340.373 3.526 20 0 EHADLO CC[C@H](c1ccccc1)N1CC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000564816225 1018893992 /nfs/dbraw/zinc/89/39/92/1018893992.db2.gz WJIVMBATKAYWBW-GOSISDBHSA-N 1 2 337.423 3.614 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000476056566 1032797886 /nfs/dbraw/zinc/79/78/86/1032797886.db2.gz SKZIFFLMYLMWQO-ZUCKAHLUSA-N 1 2 347.409 3.803 20 0 EHADLO O=C(CC1CCC(F)(F)CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000626359201 1018962660 /nfs/dbraw/zinc/96/26/60/1018962660.db2.gz SYIJVMXFCIMLAM-UHFFFAOYSA-N 1 2 333.382 3.704 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@@H](CC(F)F)c2ccccc2)cs1 ZINC000580309002 1018969071 /nfs/dbraw/zinc/96/90/71/1018969071.db2.gz YJSUHPHNRJZYTL-ZDUSSCGKSA-N 1 2 340.395 3.806 20 0 EHADLO CCCCC[C@](C)(CC)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767302 1018995893 /nfs/dbraw/zinc/99/58/93/1018995893.db2.gz XKSLOBDCZCLALM-KRWDZBQOSA-N 1 2 325.522 3.818 20 0 EHADLO CC1(C2(NC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)CC1 ZINC000576439558 1019001019 /nfs/dbraw/zinc/00/10/19/1019001019.db2.gz XWIWVXGEHIXIAU-UHFFFAOYSA-N 1 2 334.489 3.583 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000476056564 1032796695 /nfs/dbraw/zinc/79/66/95/1032796695.db2.gz SKZIFFLMYLMWQO-CJBNDPTMSA-N 1 2 347.409 3.803 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCCC[C@@H]1c1ccco1 ZINC000345095680 1019094775 /nfs/dbraw/zinc/09/47/75/1019094775.db2.gz YVUZKMBONZEUNI-BRWVUGGUSA-N 1 2 339.439 3.501 20 0 EHADLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3Cl)C2)n1 ZINC000897576224 1032810935 /nfs/dbraw/zinc/81/09/35/1032810935.db2.gz CBAIEJIGNDZTOZ-NSHDSACASA-N 1 2 341.242 3.535 20 0 EHADLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)n1 ZINC000897576224 1032810954 /nfs/dbraw/zinc/81/09/54/1032810954.db2.gz CBAIEJIGNDZTOZ-NSHDSACASA-N 1 2 341.242 3.535 20 0 EHADLO C[C@H](c1cccc(NC(=S)NC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000729162323 1019212704 /nfs/dbraw/zinc/21/27/04/1019212704.db2.gz MRNOINDZXBFXJZ-OAHLLOKOSA-N 1 2 347.528 3.699 20 0 EHADLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1Cl ZINC001167936510 1019227291 /nfs/dbraw/zinc/22/72/91/1019227291.db2.gz IIRCXJMDAJGLEC-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1Cl ZINC001167936510 1019227301 /nfs/dbraw/zinc/22/73/01/1019227301.db2.gz IIRCXJMDAJGLEC-UHFFFAOYSA-N 1 2 333.259 3.950 20 0 EHADLO Cc1cccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000022271999 1019245758 /nfs/dbraw/zinc/24/57/58/1019245758.db2.gz HDPMTSCBTVWDKW-UHFFFAOYSA-N 1 2 345.537 3.880 20 0 EHADLO O=C(/C=C\c1ccc(Cl)cc1)NCCCCNc1cccc[nH+]1 ZINC000729255031 1019251531 /nfs/dbraw/zinc/25/15/31/1019251531.db2.gz YQTAZUWJRNHDSQ-FLIBITNWSA-N 1 2 329.831 3.757 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000729379198 1019334365 /nfs/dbraw/zinc/33/43/65/1019334365.db2.gz OSXMSRHTDDQPHI-UHFFFAOYSA-N 1 2 340.358 3.628 20 0 EHADLO Cc1cnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc1 ZINC000340689002 1019359876 /nfs/dbraw/zinc/35/98/76/1019359876.db2.gz HOQUPUKHQMKQKC-UHFFFAOYSA-N 1 2 342.830 3.959 20 0 EHADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449573797 1032829399 /nfs/dbraw/zinc/82/93/99/1032829399.db2.gz SDVVBDCPOXTNPB-SJCJKPOMSA-N 1 2 341.846 3.826 20 0 EHADLO CC[C@H]1CCC[C@H](NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000476093078 1032840928 /nfs/dbraw/zinc/84/09/28/1032840928.db2.gz XESKIGKSLAQOTE-STQMWFEESA-N 1 2 335.398 3.708 20 0 EHADLO COc1ccsc1C[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000513392651 1019603165 /nfs/dbraw/zinc/60/31/65/1019603165.db2.gz VLMKRKQSCIKRMG-HNNXBMFYSA-N 1 2 346.496 3.644 20 0 EHADLO COc1cc([C@H](C)Nc2[nH+]c(C)nc3[nH]ccc32)ccc1OC(C)C ZINC000433773242 1019610172 /nfs/dbraw/zinc/61/01/72/1019610172.db2.gz FPINYUDARZNYMR-LBPRGKRZSA-N 1 2 340.427 3.657 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000433774780 1019610406 /nfs/dbraw/zinc/61/04/06/1019610406.db2.gz NLIOQZADKQVVGV-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CO[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000433774780 1019610418 /nfs/dbraw/zinc/61/04/18/1019610418.db2.gz NLIOQZADKQVVGV-OAHLLOKOSA-N 1 2 332.835 3.530 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3C)CC2)s1 ZINC000433775625 1019613529 /nfs/dbraw/zinc/61/35/29/1019613529.db2.gz VIAMOCHWXWYPAH-UHFFFAOYSA-N 1 2 346.471 3.716 20 0 EHADLO Cc1ccc([C@@H]2OCCC[C@H]2CNc2[nH+]c(C)nc3[nH]ccc32)cc1 ZINC000433785709 1019614829 /nfs/dbraw/zinc/61/48/29/1019614829.db2.gz JYUVJZUBTVFHPL-WMZOPIPTSA-N 1 2 336.439 3.576 20 0 EHADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCN(c3cccc(Cl)c3)C2)[nH+]1 ZINC000433795467 1019629912 /nfs/dbraw/zinc/62/99/12/1019629912.db2.gz DIFFKQLNOGUIBW-CYBMUJFWSA-N 1 2 327.819 3.611 20 0 EHADLO CC(C)(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000433804023 1019646822 /nfs/dbraw/zinc/64/68/22/1019646822.db2.gz OPUFYAYCYZJPOD-UHFFFAOYSA-N 1 2 339.361 3.543 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000340728729 1019657575 /nfs/dbraw/zinc/65/75/75/1019657575.db2.gz NAYWBAOYFHZNPM-ZFWWWQNUSA-N 1 2 336.505 3.781 20 0 EHADLO CC[C@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000340728729 1019657586 /nfs/dbraw/zinc/65/75/86/1019657586.db2.gz NAYWBAOYFHZNPM-ZFWWWQNUSA-N 1 2 336.505 3.781 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CCS[C@H](c3ccccc3)C2)c[nH+]1 ZINC000656253944 1019672902 /nfs/dbraw/zinc/67/29/02/1019672902.db2.gz KOUQJKRFAFSTGM-SFHVURJKSA-N 1 2 341.480 3.698 20 0 EHADLO CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000664202625 1019747509 /nfs/dbraw/zinc/74/75/09/1019747509.db2.gz WCWPPNRILPTTLD-ZMSDIMECSA-N 1 2 335.492 3.701 20 0 EHADLO CCC1(CC)C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC[S@]1=O ZINC000782194942 1019772515 /nfs/dbraw/zinc/77/25/15/1019772515.db2.gz XFYLQINNWXHLRA-HRAATJIYSA-N 1 2 325.905 3.950 20 0 EHADLO CCC1(CC)C[N@H+]([C@H]2CCc3cc(Cl)ccc32)CC[S@]1=O ZINC000782194942 1019772532 /nfs/dbraw/zinc/77/25/32/1019772532.db2.gz XFYLQINNWXHLRA-HRAATJIYSA-N 1 2 325.905 3.950 20 0 EHADLO CCc1ncc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000684022980 1019842081 /nfs/dbraw/zinc/84/20/81/1019842081.db2.gz RGGUHQQASLDJCM-UHFFFAOYSA-N 1 2 340.496 3.505 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2oc3c(cccc3F)c2C)c1C ZINC000050448643 1019927326 /nfs/dbraw/zinc/92/73/26/1019927326.db2.gz NMLIDLUHIWKFNX-UHFFFAOYSA-N 1 2 342.370 3.831 20 0 EHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000345131295 1019985197 /nfs/dbraw/zinc/98/51/97/1019985197.db2.gz TZAPOEKUDQDFDD-UHFFFAOYSA-N 1 2 349.438 3.579 20 0 EHADLO C[C@H]1CC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](C)C1 ZINC000580770131 1019993588 /nfs/dbraw/zinc/99/35/88/1019993588.db2.gz SFSDNTSJKPVGFK-IIDMSEBBSA-N 1 2 325.456 3.873 20 0 EHADLO C[C@H]1c2ccccc2CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340797997 1020007427 /nfs/dbraw/zinc/00/74/27/1020007427.db2.gz XCGVQWBIVMNMTM-INIZCTEOSA-N 1 2 346.434 3.718 20 0 EHADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000580810665 1020049710 /nfs/dbraw/zinc/04/97/10/1020049710.db2.gz HODXOVITQYKPGX-ZDUSSCGKSA-N 1 2 339.370 3.917 20 0 EHADLO CC(C)(C)c1cnc(CN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000580813759 1020056577 /nfs/dbraw/zinc/05/65/77/1020056577.db2.gz OJHZEJKKFHPFKY-UHFFFAOYSA-N 1 2 335.542 3.820 20 0 EHADLO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ncccc3F)c2cc1C ZINC000528826852 1032874298 /nfs/dbraw/zinc/87/42/98/1032874298.db2.gz INFPVJSQBDDRQL-ZDUSSCGKSA-N 1 2 326.371 3.795 20 0 EHADLO CCc1nnc(C[NH2+][C@H]2CCc3sc(Br)cc32)s1 ZINC000340391842 1020092488 /nfs/dbraw/zinc/09/24/88/1020092488.db2.gz WUTXEYNHUPGMMA-QMMMGPOBSA-N 1 2 344.303 3.702 20 0 EHADLO Cc1noc([C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000345306840 1020144325 /nfs/dbraw/zinc/14/43/25/1020144325.db2.gz RYBDMXBVHVKGOI-BDJLRTHQSA-N 1 2 335.835 3.850 20 0 EHADLO Cc1cc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c(C)[nH+]1 ZINC000580876371 1020166446 /nfs/dbraw/zinc/16/64/46/1020166446.db2.gz HZHNWCGKNIFKCA-HKUYNNGSSA-N 1 2 339.439 3.906 20 0 EHADLO Cc1sc2nc(C)nc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1C ZINC000345357016 1020179436 /nfs/dbraw/zinc/17/94/36/1020179436.db2.gz SJMDEHIOZWTXPU-ABAIWWIYSA-N 1 2 341.484 3.901 20 0 EHADLO CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000280212844 1020183309 /nfs/dbraw/zinc/18/33/09/1020183309.db2.gz RGOJVURHGHFPEY-SCTDSRPQSA-N 1 2 329.488 3.503 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c(C)cc1Cl ZINC000280241270 1020200436 /nfs/dbraw/zinc/20/04/36/1020200436.db2.gz IDGGSJOSASZBIV-OAHLLOKOSA-N 1 2 335.835 3.789 20 0 EHADLO Cc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c(C)cc1Cl ZINC000280241270 1020200446 /nfs/dbraw/zinc/20/04/46/1020200446.db2.gz IDGGSJOSASZBIV-OAHLLOKOSA-N 1 2 335.835 3.789 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580900983 1020205454 /nfs/dbraw/zinc/20/54/54/1020205454.db2.gz GITMKKWBAKJMTJ-JKSUJKDBSA-N 1 2 345.512 3.892 20 0 EHADLO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580900983 1020205466 /nfs/dbraw/zinc/20/54/66/1020205466.db2.gz GITMKKWBAKJMTJ-JKSUJKDBSA-N 1 2 345.512 3.892 20 0 EHADLO CC1CC[NH+](Cc2csc(NC(=O)CCCn3cccc3)n2)CC1 ZINC000155927459 1020273650 /nfs/dbraw/zinc/27/36/50/1020273650.db2.gz GQSVZHLJUPVUHZ-UHFFFAOYSA-N 1 2 346.500 3.595 20 0 EHADLO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ncc(C)o2)cc1 ZINC000280309585 1020276503 /nfs/dbraw/zinc/27/65/03/1020276503.db2.gz GHKUMRLSROLXPL-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ncc(C)o2)cc1 ZINC000280309585 1020276508 /nfs/dbraw/zinc/27/65/08/1020276508.db2.gz GHKUMRLSROLXPL-UHFFFAOYSA-N 1 2 337.423 3.632 20 0 EHADLO CCc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)o1 ZINC000280329064 1020309727 /nfs/dbraw/zinc/30/97/27/1020309727.db2.gz QZMAEJXFKAKHDA-AWEZNQCLSA-N 1 2 329.318 3.564 20 0 EHADLO COc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)cc1C ZINC000280421890 1020378051 /nfs/dbraw/zinc/37/80/51/1020378051.db2.gz DEPXDCKEBASARF-DYVFJYSZSA-N 1 2 342.443 3.624 20 0 EHADLO C[C@@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 ZINC000128146592 1020406362 /nfs/dbraw/zinc/40/63/62/1020406362.db2.gz OVPAXRILSGMQQS-CYBMUJFWSA-N 1 2 327.359 3.639 20 0 EHADLO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000030141840 1020436588 /nfs/dbraw/zinc/43/65/88/1020436588.db2.gz JZPMMKFWQWASAH-CYBMUJFWSA-N 1 2 339.277 3.818 20 0 EHADLO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000030141840 1020436594 /nfs/dbraw/zinc/43/65/94/1020436594.db2.gz JZPMMKFWQWASAH-CYBMUJFWSA-N 1 2 339.277 3.818 20 0 EHADLO CCn1c[nH+]cc1CNc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000581120141 1020446352 /nfs/dbraw/zinc/44/63/52/1020446352.db2.gz XYNGYDMXYVBSAN-UHFFFAOYSA-N 1 2 340.471 3.696 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528825168 1032902252 /nfs/dbraw/zinc/90/22/52/1032902252.db2.gz OWYAMKLXQCNIDB-RYUDHWBXSA-N 1 2 335.810 3.860 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1CC(F)F ZINC000093767291 1032902325 /nfs/dbraw/zinc/90/23/25/1032902325.db2.gz ABLWQUUTPNGFMW-CYBMUJFWSA-N 1 2 329.460 3.572 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1CC(F)F ZINC000093767291 1032902337 /nfs/dbraw/zinc/90/23/37/1032902337.db2.gz ABLWQUUTPNGFMW-CYBMUJFWSA-N 1 2 329.460 3.572 20 0 EHADLO Fc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000345778023 1020505135 /nfs/dbraw/zinc/50/51/35/1020505135.db2.gz FVUFISOLCQJPFR-UHFFFAOYSA-N 1 2 339.336 3.562 20 0 EHADLO c1cn(-c2ccnc(-c3nc(-c4nccc5ccccc54)no3)c2)c[nH+]1 ZINC000345804577 1020516993 /nfs/dbraw/zinc/51/69/93/1020516993.db2.gz UXTWUYPKNVLEBR-UHFFFAOYSA-N 1 2 340.346 3.533 20 0 EHADLO COc1ccc([C@H]2CCCN2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000280703222 1020592574 /nfs/dbraw/zinc/59/25/74/1020592574.db2.gz AQKVJSWJSNFCJV-QGZVFWFLSA-N 1 2 336.395 3.712 20 0 EHADLO CC(C)c1ccc([C@H]2CCCCN2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292360463 1020592934 /nfs/dbraw/zinc/59/29/34/1020592934.db2.gz OTZIJOPMHLUEAQ-LJQANCHMSA-N 1 2 340.471 3.980 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000128669249 1020640080 /nfs/dbraw/zinc/64/00/80/1020640080.db2.gz CLBBVIVCZHKSTR-LJQANCHMSA-N 1 2 345.443 3.670 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000581333458 1020701630 /nfs/dbraw/zinc/70/16/30/1020701630.db2.gz HALMGJPWXAJJLK-FQEVSTJZSA-N 1 2 336.439 3.859 20 0 EHADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000581333458 1020701637 /nfs/dbraw/zinc/70/16/37/1020701637.db2.gz HALMGJPWXAJJLK-FQEVSTJZSA-N 1 2 336.439 3.859 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000276142890 1020711729 /nfs/dbraw/zinc/71/17/29/1020711729.db2.gz CTUQOVMFCPATTI-LSDHHAIUSA-N 1 2 343.475 3.907 20 0 EHADLO c1ccc(-c2noc([C@@H]([NH2+][C@@H]3CCSC3)c3ccccc3)n2)cc1 ZINC000581345252 1020719051 /nfs/dbraw/zinc/71/90/51/1020719051.db2.gz HFWUUZSATRJFPN-SJORKVTESA-N 1 2 337.448 3.921 20 0 EHADLO CC1(C)CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]2CCC[C@@H]21 ZINC000581352721 1020730710 /nfs/dbraw/zinc/73/07/10/1020730710.db2.gz JIKMIAGWIBZXSQ-ZWKOTPCHSA-N 1 2 338.455 3.592 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210416 1020755558 /nfs/dbraw/zinc/75/55/58/1020755558.db2.gz YFDDBPFAKOYPHJ-ABAIWWIYSA-N 1 2 327.325 3.784 20 0 EHADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000684210416 1020755563 /nfs/dbraw/zinc/75/55/63/1020755563.db2.gz YFDDBPFAKOYPHJ-ABAIWWIYSA-N 1 2 327.325 3.784 20 0 EHADLO Cn1cccc1C[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000760400988 1032925602 /nfs/dbraw/zinc/92/56/02/1032925602.db2.gz DPPBNFAEMFQFJH-UHFFFAOYSA-N 1 2 332.810 3.771 20 0 EHADLO Cn1cccc1C[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000760400988 1032925606 /nfs/dbraw/zinc/92/56/06/1032925606.db2.gz DPPBNFAEMFQFJH-UHFFFAOYSA-N 1 2 332.810 3.771 20 0 EHADLO CCn1c[nH+]c2c1CCN(Cc1ccc(Br)cc1C)C2 ZINC000933255487 1020829281 /nfs/dbraw/zinc/82/92/81/1020829281.db2.gz BFFVNPPYUADPDA-UHFFFAOYSA-N 1 2 334.261 3.532 20 0 EHADLO Cc1ccsc1C[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000071115289 1020867098 /nfs/dbraw/zinc/86/70/98/1020867098.db2.gz VSJBIPMTJNZYKG-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000071115289 1020867104 /nfs/dbraw/zinc/86/71/04/1020867104.db2.gz VSJBIPMTJNZYKG-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cc1ccccc1CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000137198160 1032941345 /nfs/dbraw/zinc/94/13/45/1032941345.db2.gz IDMIPPIMLHJAAD-UHFFFAOYSA-N 1 2 336.888 3.501 20 0 EHADLO Cc1ccccc1CCNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000137198160 1032941355 /nfs/dbraw/zinc/94/13/55/1032941355.db2.gz IDMIPPIMLHJAAD-UHFFFAOYSA-N 1 2 336.888 3.501 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000581491673 1021013261 /nfs/dbraw/zinc/01/32/61/1021013261.db2.gz CTJXYMQMSCPIGH-RBUKOAKNSA-N 1 2 341.499 3.583 20 0 EHADLO O=C(c1ccc(-c2cccs2)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341150351 1021018095 /nfs/dbraw/zinc/01/80/95/1021018095.db2.gz GYINTBLJPWCOCJ-CQSZACIVSA-N 1 2 340.404 3.697 20 0 EHADLO O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341177833 1021048597 /nfs/dbraw/zinc/04/85/97/1021048597.db2.gz AGMYDKSGYATPCR-SFTDATJTSA-N 1 2 345.446 3.741 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1[C@@H]2CCCC[C@H]12 ZINC000073471019 1021062266 /nfs/dbraw/zinc/06/22/66/1021062266.db2.gz ZOTCXQVIIQPZDP-JJTKIYQPSA-N 1 2 327.472 3.514 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)on1 ZINC000656636398 1021065317 /nfs/dbraw/zinc/06/53/17/1021065317.db2.gz UPIJPSORPIMPLA-MAUKXSAKSA-N 1 2 339.439 3.927 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)on1 ZINC000656636398 1021065320 /nfs/dbraw/zinc/06/53/20/1021065320.db2.gz UPIJPSORPIMPLA-MAUKXSAKSA-N 1 2 339.439 3.927 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)on1 ZINC000656636399 1021065382 /nfs/dbraw/zinc/06/53/82/1021065382.db2.gz UPIJPSORPIMPLA-QAPCUYQASA-N 1 2 339.439 3.927 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)on1 ZINC000656636399 1021065387 /nfs/dbraw/zinc/06/53/87/1021065387.db2.gz UPIJPSORPIMPLA-QAPCUYQASA-N 1 2 339.439 3.927 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)c1 ZINC001167473213 1021138411 /nfs/dbraw/zinc/13/84/11/1021138411.db2.gz GHGZMYSPJDZUMK-ZDUSSCGKSA-N 1 2 343.398 3.740 20 0 EHADLO COC(=O)c1ccc(OC)c(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)c1 ZINC001167473213 1021138415 /nfs/dbraw/zinc/13/84/15/1021138415.db2.gz GHGZMYSPJDZUMK-ZDUSSCGKSA-N 1 2 343.398 3.740 20 0 EHADLO CCn1c(C)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000341234917 1021146667 /nfs/dbraw/zinc/14/66/67/1021146667.db2.gz FUOUDORUIPJKJK-UHFFFAOYSA-N 1 2 342.487 3.654 20 0 EHADLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681556 1021158247 /nfs/dbraw/zinc/15/82/47/1021158247.db2.gz HURXGQPLVSKYNM-CABCVRRESA-N 1 2 331.485 3.619 20 0 EHADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1)c1ccc(Cl)cc1 ZINC000656682126 1021165152 /nfs/dbraw/zinc/16/51/52/1021165152.db2.gz PXUHXXFQNDPETQ-WOPDTQHZSA-N 1 2 337.876 3.713 20 0 EHADLO COCc1nc(C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)cs1 ZINC000518447169 1021185041 /nfs/dbraw/zinc/18/50/41/1021185041.db2.gz PPHHFDWYKIZXPB-JTQLQIEISA-N 1 2 326.849 3.802 20 0 EHADLO COc1ccc(OCc2nc(C[NH2+][C@H](C)c3ccc[nH]3)cs2)cc1 ZINC000760446022 1032959873 /nfs/dbraw/zinc/95/98/73/1032959873.db2.gz QWDBSVASYSLPMT-CYBMUJFWSA-N 1 2 343.452 3.910 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000341260068 1021223219 /nfs/dbraw/zinc/22/32/19/1021223219.db2.gz MKZYAXUVDSVSCN-MOPGFXCFSA-N 1 2 331.419 3.567 20 0 EHADLO CC(C)(CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1Cl ZINC001143565614 1021235958 /nfs/dbraw/zinc/23/59/58/1021235958.db2.gz NPZBFVZBIFTOCW-UHFFFAOYSA-N 1 2 327.815 3.924 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(-n3nccc3C(F)(F)F)cc2)n1C ZINC000341269347 1021250189 /nfs/dbraw/zinc/25/01/89/1021250189.db2.gz AIGIXOXSICEASW-UHFFFAOYSA-N 1 2 335.333 3.545 20 0 EHADLO O=C(C[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1)NC1CC1 ZINC000507441113 1021255370 /nfs/dbraw/zinc/25/53/70/1021255370.db2.gz KEBYYYQZELSCJP-FNCQTZNRSA-N 1 2 346.474 3.994 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1(C)C ZINC000296202112 1021281710 /nfs/dbraw/zinc/28/17/10/1021281710.db2.gz WBVSEEFVTZHDCL-DGCLKSJQSA-N 1 2 349.500 3.822 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1(C)C ZINC000296202112 1021281720 /nfs/dbraw/zinc/28/17/20/1021281720.db2.gz WBVSEEFVTZHDCL-DGCLKSJQSA-N 1 2 349.500 3.822 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(CN3CCc4ccccc43)cc2)n1C ZINC000341284576 1021299399 /nfs/dbraw/zinc/29/93/99/1021299399.db2.gz OQVBHVAJRJITDS-UHFFFAOYSA-N 1 2 332.451 3.903 20 0 EHADLO COCc1csc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000656769798 1021310058 /nfs/dbraw/zinc/31/00/58/1021310058.db2.gz ZBPQZGNOROWRGC-ZIAGYGMSSA-N 1 2 347.484 3.515 20 0 EHADLO Cn1ncc(C2CCC2)c1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000656774437 1021320627 /nfs/dbraw/zinc/32/06/27/1021320627.db2.gz MCOKQWBAOBQLTM-UHFFFAOYSA-N 1 2 340.349 3.636 20 0 EHADLO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(Br)cn2)o1 ZINC000426345919 1021326333 /nfs/dbraw/zinc/32/63/33/1021326333.db2.gz GFBYEWQIZPRHOY-SNVBAGLBSA-N 1 2 338.249 3.944 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)c2cccc(F)c2)c1C ZINC000077576012 1021442725 /nfs/dbraw/zinc/44/27/25/1021442725.db2.gz JMRTURANRDEANO-UHFFFAOYSA-N 1 2 345.418 3.581 20 0 EHADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC=C(F)C1 ZINC000425668664 1021451422 /nfs/dbraw/zinc/45/14/22/1021451422.db2.gz APCWQHCXOFLVKW-UHFFFAOYSA-N 1 2 340.402 3.977 20 0 EHADLO C[C@@H]1CCN(C(=O)Nc2ccccc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000425692776 1021496184 /nfs/dbraw/zinc/49/61/84/1021496184.db2.gz OJRQMZFXNVHVEJ-IUODEOHRSA-N 1 2 334.370 3.936 20 0 EHADLO CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCc1c[nH+]cn1C ZINC000439542834 1021530091 /nfs/dbraw/zinc/53/00/91/1021530091.db2.gz CIDTUGFVWMPQJD-UHFFFAOYSA-N 1 2 348.859 3.657 20 0 EHADLO O=C(CCOc1ccccc1Cl)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866710 1021601375 /nfs/dbraw/zinc/60/13/75/1021601375.db2.gz WIQOHSDXEKESGU-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO COc1cc(C)[nH+]c(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000440547647 1021605889 /nfs/dbraw/zinc/60/58/89/1021605889.db2.gz KBQZJYDEXLUSFR-GUXCAODWSA-N 1 2 330.472 3.568 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469454413 1021658510 /nfs/dbraw/zinc/65/85/10/1021658510.db2.gz KBWLFXRDXPZVSZ-KDOFPFPSSA-N 1 2 331.362 3.668 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469454413 1021658517 /nfs/dbraw/zinc/65/85/17/1021658517.db2.gz KBWLFXRDXPZVSZ-KDOFPFPSSA-N 1 2 331.362 3.668 20 0 EHADLO FC(F)(F)c1cc(C[NH2+]Cc2csc(-c3ccccc3)n2)[nH]n1 ZINC000440648210 1021692681 /nfs/dbraw/zinc/69/26/81/1021692681.db2.gz PPGCVZHVRUSTGR-UHFFFAOYSA-N 1 2 338.358 3.842 20 0 EHADLO CC(C)(CNc1cc(CSCCO)cc[nH+]1)Oc1ccccc1 ZINC000602576876 1032997095 /nfs/dbraw/zinc/99/70/95/1032997095.db2.gz COAFEUQZUPJIFI-UHFFFAOYSA-N 1 2 332.469 3.577 20 0 EHADLO C[C@@H](CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000519829153 1021708839 /nfs/dbraw/zinc/70/88/39/1021708839.db2.gz VUBSJRCMNNOTOO-IINYFYTJSA-N 1 2 345.752 3.907 20 0 EHADLO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528879065 1032998048 /nfs/dbraw/zinc/99/80/48/1032998048.db2.gz VIMYLXDIRWQLTL-KFWWJZLASA-N 1 2 348.516 3.687 20 0 EHADLO Cc1cc(N(C)CC(=O)Nc2ccccc2Cl)nc(C2CCC2)[nH+]1 ZINC000891477707 1021719569 /nfs/dbraw/zinc/71/95/69/1021719569.db2.gz ONICDONTVNUCMY-UHFFFAOYSA-N 1 2 344.846 3.781 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CCC1=O ZINC000516788821 1021729090 /nfs/dbraw/zinc/72/90/90/1021729090.db2.gz PRFIWPYARVXKDM-HNNXBMFYSA-N 1 2 327.399 3.816 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CCC1=O ZINC000516788821 1021729101 /nfs/dbraw/zinc/72/91/01/1021729101.db2.gz PRFIWPYARVXKDM-HNNXBMFYSA-N 1 2 327.399 3.816 20 0 EHADLO CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC000933430260 1021730823 /nfs/dbraw/zinc/73/08/23/1021730823.db2.gz ZLQYKLKQISOCJF-NSHDSACASA-N 1 2 328.441 3.723 20 0 EHADLO COc1cc(Br)c(C[N@@H+]2CCC=C(C)C2)c(OC)c1 ZINC000437342632 1021756723 /nfs/dbraw/zinc/75/67/23/1021756723.db2.gz JJPDNMCQQQCCLC-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO COc1cc(Br)c(C[N@H+]2CCC=C(C)C2)c(OC)c1 ZINC000437342632 1021756736 /nfs/dbraw/zinc/75/67/36/1021756736.db2.gz JJPDNMCQQQCCLC-UHFFFAOYSA-N 1 2 326.234 3.618 20 0 EHADLO COC(=O)CC1(C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000440775577 1021763372 /nfs/dbraw/zinc/76/33/72/1021763372.db2.gz AUOBQHZRWWDCLV-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO COC(=O)CC1(C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000440775577 1021763385 /nfs/dbraw/zinc/76/33/85/1021763385.db2.gz AUOBQHZRWWDCLV-UHFFFAOYSA-N 1 2 328.239 3.695 20 0 EHADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(c2cccc(F)c2F)CC1 ZINC000581826548 1021818265 /nfs/dbraw/zinc/81/82/65/1021818265.db2.gz HHANCMAYUCJYHH-AWEZNQCLSA-N 1 2 345.393 3.514 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@@H+]3CCC(F)(F)[C@H](C)C3)nc(N)c2c1C ZINC000289841675 1021848736 /nfs/dbraw/zinc/84/87/36/1021848736.db2.gz PDJAEAXJVKTBBV-PSASIEDQSA-N 1 2 340.443 3.928 20 0 EHADLO Cc1sc2nc([C@@H](C)[N@H+]3CCC(F)(F)[C@H](C)C3)nc(N)c2c1C ZINC000289841675 1021848749 /nfs/dbraw/zinc/84/87/49/1021848749.db2.gz PDJAEAXJVKTBBV-PSASIEDQSA-N 1 2 340.443 3.928 20 0 EHADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCCOC3CCCC3)c12 ZINC000141094312 1033010794 /nfs/dbraw/zinc/01/07/94/1033010794.db2.gz QSECSXJGDZPPGT-UHFFFAOYSA-N 1 2 337.427 3.577 20 0 EHADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Cl ZINC000437493822 1021885581 /nfs/dbraw/zinc/88/55/81/1021885581.db2.gz GWLZWKWKBTUNNV-UHFFFAOYSA-N 1 2 334.769 3.943 20 0 EHADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Cl ZINC000437493822 1021885601 /nfs/dbraw/zinc/88/56/01/1021885601.db2.gz GWLZWKWKBTUNNV-UHFFFAOYSA-N 1 2 334.769 3.943 20 0 EHADLO COC[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C)c1ccc(C)o1 ZINC000156397070 1021918329 /nfs/dbraw/zinc/91/83/29/1021918329.db2.gz UZRFKLGIDWTSSF-WMLDXEAASA-N 1 2 340.427 3.515 20 0 EHADLO CC(C)(C)c1coc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000891555854 1021919628 /nfs/dbraw/zinc/91/96/28/1021919628.db2.gz UPCVBBOTGBPAGH-IBGZPJMESA-N 1 2 328.456 3.918 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCCCC1CCCCC1 ZINC000519210970 1021924912 /nfs/dbraw/zinc/92/49/12/1021924912.db2.gz MLDXUIZWGCWCDE-UHFFFAOYSA-N 1 2 332.492 3.933 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441022797 1021935380 /nfs/dbraw/zinc/93/53/80/1021935380.db2.gz RYMFTAUWOJCLFG-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441022797 1021935390 /nfs/dbraw/zinc/93/53/90/1021935390.db2.gz RYMFTAUWOJCLFG-CQSZACIVSA-N 1 2 349.409 3.759 20 0 EHADLO CC(C)[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1F ZINC000520173580 1021988166 /nfs/dbraw/zinc/98/81/66/1021988166.db2.gz QOKULIBEOCOVTJ-UHFFFAOYSA-N 1 2 326.415 3.625 20 0 EHADLO CC(C)[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1F ZINC000520173580 1021988170 /nfs/dbraw/zinc/98/81/70/1021988170.db2.gz QOKULIBEOCOVTJ-UHFFFAOYSA-N 1 2 326.415 3.625 20 0 EHADLO COCC[N@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)c1ccccc1 ZINC000520183157 1022002587 /nfs/dbraw/zinc/00/25/87/1022002587.db2.gz JAWFLEDAKOGSFL-MRXNPFEDSA-N 1 2 337.423 3.946 20 0 EHADLO COCC[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)c1ccccc1 ZINC000520183157 1022002603 /nfs/dbraw/zinc/00/26/03/1022002603.db2.gz JAWFLEDAKOGSFL-MRXNPFEDSA-N 1 2 337.423 3.946 20 0 EHADLO C[C@H]1CCN(C(=O)CCCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000290394101 1022008450 /nfs/dbraw/zinc/00/84/50/1022008450.db2.gz CUWXHELDBYTTTC-YJBOKZPZSA-N 1 2 345.874 3.969 20 0 EHADLO C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000517108339 1022036746 /nfs/dbraw/zinc/03/67/46/1022036746.db2.gz SLFDKXAZAXSWSD-HNNXBMFYSA-N 1 2 344.434 3.516 20 0 EHADLO Cc1ccncc1CCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000290546794 1022043010 /nfs/dbraw/zinc/04/30/10/1022043010.db2.gz RNFXZHUXXJVUFA-MRXNPFEDSA-N 1 2 339.487 3.649 20 0 EHADLO Cc1ccncc1CCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000290546794 1022043025 /nfs/dbraw/zinc/04/30/25/1022043025.db2.gz RNFXZHUXXJVUFA-MRXNPFEDSA-N 1 2 339.487 3.649 20 0 EHADLO CCc1nc(C(C)(C)[NH2+]CCOc2cccc(C(C)(C)C)c2)no1 ZINC000441233485 1022071210 /nfs/dbraw/zinc/07/12/10/1022071210.db2.gz OYAFXLOMBMYQKO-UHFFFAOYSA-N 1 2 331.460 3.833 20 0 EHADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(OC)no2)c1 ZINC000925315962 1033023669 /nfs/dbraw/zinc/02/36/69/1033023669.db2.gz ULUZRVJEPDJUJI-STQMWFEESA-N 1 2 331.416 3.519 20 0 EHADLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000440362472 1022119918 /nfs/dbraw/zinc/11/99/18/1022119918.db2.gz ADSVWJGRCUGZCH-GOSISDBHSA-N 1 2 342.487 3.621 20 0 EHADLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000440362472 1022119924 /nfs/dbraw/zinc/11/99/24/1022119924.db2.gz ADSVWJGRCUGZCH-GOSISDBHSA-N 1 2 342.487 3.621 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000517210448 1022120378 /nfs/dbraw/zinc/12/03/78/1022120378.db2.gz USVFIYZVPBSDTA-WMZOPIPTSA-N 1 2 334.529 3.919 20 0 EHADLO COc1cccc(/C(C)=C\C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000255376668 1022132915 /nfs/dbraw/zinc/13/29/15/1022132915.db2.gz GYQLERXVQBDFKT-VBKFSLOCSA-N 1 2 347.418 3.601 20 0 EHADLO Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c(C)c[nH+]1 ZINC000519510417 1022169386 /nfs/dbraw/zinc/16/93/86/1022169386.db2.gz SCJTUDIUIYQGDM-CQSZACIVSA-N 1 2 341.308 3.685 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437826943 1022180228 /nfs/dbraw/zinc/18/02/28/1022180228.db2.gz DUJOBCOMFYMGAE-MAUKXSAKSA-N 1 2 336.435 3.533 20 0 EHADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437826943 1022180233 /nfs/dbraw/zinc/18/02/33/1022180233.db2.gz DUJOBCOMFYMGAE-MAUKXSAKSA-N 1 2 336.435 3.533 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000581893648 1022183194 /nfs/dbraw/zinc/18/31/94/1022183194.db2.gz XEJRKZPRGYPAKN-OAHLLOKOSA-N 1 2 343.446 3.741 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000581893648 1022183200 /nfs/dbraw/zinc/18/32/00/1022183200.db2.gz XEJRKZPRGYPAKN-OAHLLOKOSA-N 1 2 343.446 3.741 20 0 EHADLO C[C@@H]1CN(c2ccc(NCc3nccc4ccccc43)c[nH+]2)C[C@@H](C)O1 ZINC000894414089 1022223095 /nfs/dbraw/zinc/22/30/95/1022223095.db2.gz VCCXNTQKHGSSTA-HZPDHXFCSA-N 1 2 348.450 3.856 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591413 1022224404 /nfs/dbraw/zinc/22/44/04/1022224404.db2.gz BQVMOSVVTOFHJB-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591413 1022224417 /nfs/dbraw/zinc/22/44/17/1022224417.db2.gz BQVMOSVVTOFHJB-LLVKDONJSA-N 1 2 334.769 3.861 20 0 EHADLO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000425929341 1022236042 /nfs/dbraw/zinc/23/60/42/1022236042.db2.gz ZXCDLCGPRXKZRM-VQIMIIECSA-N 1 2 348.450 3.730 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@H+](Cn2nccc2-c2cccnc2)[C@H](C)CO1 ZINC000172950761 1033042205 /nfs/dbraw/zinc/04/22/05/1033042205.db2.gz ATZXKWWUKGWSIE-UTKZUKDTSA-N 1 2 348.450 3.673 20 0 EHADLO Cc1ccccc1[C@@H]1C[N@@H+](Cn2nccc2-c2cccnc2)[C@H](C)CO1 ZINC000172950761 1033042224 /nfs/dbraw/zinc/04/22/24/1033042224.db2.gz ATZXKWWUKGWSIE-UTKZUKDTSA-N 1 2 348.450 3.673 20 0 EHADLO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000574324546 1033042507 /nfs/dbraw/zinc/04/25/07/1033042507.db2.gz OMHUCVDMXKROPD-CQSZACIVSA-N 1 2 348.393 3.794 20 0 EHADLO C[C@H](CC(=O)NCC(C)(C)CCCc1ccccc1)n1cc[nH+]c1 ZINC000574330361 1033044693 /nfs/dbraw/zinc/04/46/93/1033044693.db2.gz SKQUSESIXRLFJW-QGZVFWFLSA-N 1 2 327.472 4.000 20 0 EHADLO Cc1[nH]c(CNCc2nn(CCC(C)C)c3ccccc23)[nH+]c1C ZINC000519549336 1022330847 /nfs/dbraw/zinc/33/08/47/1022330847.db2.gz KORDWPZNUJTRES-UHFFFAOYSA-N 1 2 325.460 3.712 20 0 EHADLO C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000187857584 1022352752 /nfs/dbraw/zinc/35/27/52/1022352752.db2.gz PAHFIYCWQGIWJL-QFBILLFUSA-N 1 2 340.471 3.699 20 0 EHADLO Fc1ccc2c(c1)[C@@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CO2 ZINC000341580284 1022376394 /nfs/dbraw/zinc/37/63/94/1022376394.db2.gz FOSVYTKANQFOMZ-INIZCTEOSA-N 1 2 347.353 3.500 20 0 EHADLO Cc1ccc2cc([C@@H](C)[NH2+]Cc3nnnn3-c3ccccc3)oc2c1 ZINC000425946906 1022377190 /nfs/dbraw/zinc/37/71/90/1022377190.db2.gz YGDIWEHYCSIQIH-CQSZACIVSA-N 1 2 333.395 3.568 20 0 EHADLO Cc1nnc([C@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000895014039 1022382670 /nfs/dbraw/zinc/38/26/70/1022382670.db2.gz XVGFNNVNXIADMB-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)[nH]1 ZINC000895014039 1022382685 /nfs/dbraw/zinc/38/26/85/1022382685.db2.gz XVGFNNVNXIADMB-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)n1 ZINC000895014039 1022382700 /nfs/dbraw/zinc/38/27/00/1022382700.db2.gz XVGFNNVNXIADMB-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)n1 ZINC000895014039 1022382712 /nfs/dbraw/zinc/38/27/12/1022382712.db2.gz XVGFNNVNXIADMB-NSHDSACASA-N 1 2 344.768 3.775 20 0 EHADLO C[N@H+](Cc1cscn1)Cc1cccc(NCC[C@@H]2CCOC2)c1 ZINC000438084213 1022383187 /nfs/dbraw/zinc/38/31/87/1022383187.db2.gz XRGPUDMITYNFTR-OAHLLOKOSA-N 1 2 331.485 3.614 20 0 EHADLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC[C@@H]2CCOC2)c1 ZINC000438084213 1022383197 /nfs/dbraw/zinc/38/31/97/1022383197.db2.gz XRGPUDMITYNFTR-OAHLLOKOSA-N 1 2 331.485 3.614 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102896 1022389397 /nfs/dbraw/zinc/38/93/97/1022389397.db2.gz XGJJDIDKWJXHDC-QWHCGFSZSA-N 1 2 325.733 3.757 20 0 EHADLO O[C@H]([C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)C(F)(F)F ZINC000438102896 1022389416 /nfs/dbraw/zinc/38/94/16/1022389416.db2.gz XGJJDIDKWJXHDC-QWHCGFSZSA-N 1 2 325.733 3.757 20 0 EHADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)[nH]1 ZINC000895008434 1022392267 /nfs/dbraw/zinc/39/22/67/1022392267.db2.gz XQZICTKUSGKJSS-SNVBAGLBSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)[nH]1 ZINC000895008434 1022392279 /nfs/dbraw/zinc/39/22/79/1022392279.db2.gz XQZICTKUSGKJSS-SNVBAGLBSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)n1 ZINC000895008434 1022392289 /nfs/dbraw/zinc/39/22/89/1022392289.db2.gz XQZICTKUSGKJSS-SNVBAGLBSA-N 1 2 344.768 3.775 20 0 EHADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)n1 ZINC000895008434 1022392302 /nfs/dbraw/zinc/39/23/02/1022392302.db2.gz XQZICTKUSGKJSS-SNVBAGLBSA-N 1 2 344.768 3.775 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@H+](Cc2ccccn2)C2CC2)s1 ZINC000894491151 1022402004 /nfs/dbraw/zinc/40/20/04/1022402004.db2.gz WXWUCIAYSBHOJZ-UHFFFAOYSA-N 1 2 327.375 3.808 20 0 EHADLO FC(F)(F)Cc1ncc(C[N@@H+](Cc2ccccn2)C2CC2)s1 ZINC000894491151 1022402012 /nfs/dbraw/zinc/40/20/12/1022402012.db2.gz WXWUCIAYSBHOJZ-UHFFFAOYSA-N 1 2 327.375 3.808 20 0 EHADLO O=C(/C=C\c1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000255389354 1022403093 /nfs/dbraw/zinc/40/30/93/1022403093.db2.gz DFTDKNJHYAUVOC-SREVYHEPSA-N 1 2 333.482 3.842 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)CCc3ccc(C)o3)ccc2[nH+]1 ZINC000438129296 1022408200 /nfs/dbraw/zinc/40/82/00/1022408200.db2.gz REXSDBNTNFOIAS-LBPRGKRZSA-N 1 2 326.400 3.687 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000897637449 1033051208 /nfs/dbraw/zinc/05/12/08/1033051208.db2.gz DMHDGLUATVOHRR-KOMQPUFPSA-N 1 2 331.847 3.642 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000473973486 1022442712 /nfs/dbraw/zinc/44/27/12/1022442712.db2.gz DGWCNXCOXQOLNF-CYBMUJFWSA-N 1 2 331.485 3.861 20 0 EHADLO CC1(C)CCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000426660672 1022481710 /nfs/dbraw/zinc/48/17/10/1022481710.db2.gz PTGRKTGCXWYOIZ-AWEZNQCLSA-N 1 2 336.505 3.829 20 0 EHADLO Cc1cn2cc(NC(=O)Cc3coc4c3ccc(F)c4F)ccc2[nH+]1 ZINC001125546182 1022481938 /nfs/dbraw/zinc/48/19/38/1022481938.db2.gz YNWRFNHAPPNZRM-UHFFFAOYSA-N 1 2 341.317 3.848 20 0 EHADLO C[N@H+](CCn1cccn1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000111279398 1022483787 /nfs/dbraw/zinc/48/37/87/1022483787.db2.gz SZFSPYWZPFZAKV-UHFFFAOYSA-N 1 2 332.860 3.792 20 0 EHADLO C[N@@H+](CCn1cccn1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000111279398 1022483803 /nfs/dbraw/zinc/48/38/03/1022483803.db2.gz SZFSPYWZPFZAKV-UHFFFAOYSA-N 1 2 332.860 3.792 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827688 1022486626 /nfs/dbraw/zinc/48/66/26/1022486626.db2.gz CDYMGPPWKUNFGR-KYHPRHEASA-N 1 2 329.488 3.643 20 0 EHADLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827688 1022486640 /nfs/dbraw/zinc/48/66/40/1022486640.db2.gz CDYMGPPWKUNFGR-KYHPRHEASA-N 1 2 329.488 3.643 20 0 EHADLO COc1ccccc1C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000303815064 1022518463 /nfs/dbraw/zinc/51/84/63/1022518463.db2.gz LTBNUDHFRQQGNP-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO COc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000303815064 1022518471 /nfs/dbraw/zinc/51/84/71/1022518471.db2.gz LTBNUDHFRQQGNP-QGZVFWFLSA-N 1 2 344.842 3.586 20 0 EHADLO CCc1ccc(CN(C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000051335174 1022551408 /nfs/dbraw/zinc/55/14/08/1022551408.db2.gz KCBNRTUOBGBPLR-UHFFFAOYSA-N 1 2 341.455 3.611 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C)[C@@H](C)O1 ZINC000438366444 1022595918 /nfs/dbraw/zinc/59/59/18/1022595918.db2.gz WEUMIMZEJOYQTO-IJLUTSLNSA-N 1 2 335.341 3.765 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C)[C@@H](C)O1 ZINC000438366444 1022595924 /nfs/dbraw/zinc/59/59/24/1022595924.db2.gz WEUMIMZEJOYQTO-IJLUTSLNSA-N 1 2 335.341 3.765 20 0 EHADLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000891770363 1022612315 /nfs/dbraw/zinc/61/23/15/1022612315.db2.gz IKMGLLHGEWZODR-LJQANCHMSA-N 1 2 337.471 3.825 20 0 EHADLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000891770363 1022612321 /nfs/dbraw/zinc/61/23/21/1022612321.db2.gz IKMGLLHGEWZODR-LJQANCHMSA-N 1 2 337.471 3.825 20 0 EHADLO Cc1cc(-c2noc([C@@H](C)NCc3c[nH+]cn3C(C)C)n2)ccc1F ZINC000425337581 1022645628 /nfs/dbraw/zinc/64/56/28/1022645628.db2.gz NERKSUUZZUMBAH-CYBMUJFWSA-N 1 2 343.406 3.812 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3(F)CCCC3)n2)O1 ZINC000665004438 1022652712 /nfs/dbraw/zinc/65/27/12/1022652712.db2.gz UYMINSCOFLMQSE-GDBMZVCRSA-N 1 2 345.418 3.770 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3(F)CCCC3)n2)O1 ZINC000665004438 1022652726 /nfs/dbraw/zinc/65/27/26/1022652726.db2.gz UYMINSCOFLMQSE-GDBMZVCRSA-N 1 2 345.418 3.770 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC3(C)C)n2)O1 ZINC000665006746 1022662003 /nfs/dbraw/zinc/66/20/03/1022662003.db2.gz AUFKLRXBFGFUNZ-BMFZPTHFSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC3(C)C)n2)O1 ZINC000665006746 1022662011 /nfs/dbraw/zinc/66/20/11/1022662011.db2.gz AUFKLRXBFGFUNZ-BMFZPTHFSA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C[C@H]3C=CCC3)n2)O1 ZINC000665006369 1022668105 /nfs/dbraw/zinc/66/81/05/1022668105.db2.gz UZDDBCCWHCWBFH-RYRKJORJSA-N 1 2 339.439 3.540 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C[C@H]3C=CCC3)n2)O1 ZINC000665006369 1022668118 /nfs/dbraw/zinc/66/81/18/1022668118.db2.gz UZDDBCCWHCWBFH-RYRKJORJSA-N 1 2 339.439 3.540 20 0 EHADLO O=C(C[N@@H+]1CCSC2(CCCCC2)C1)Nc1cc(F)ccc1F ZINC000430774838 1022677617 /nfs/dbraw/zinc/67/76/17/1022677617.db2.gz HDTYBHVSXAUTLI-UHFFFAOYSA-N 1 2 340.439 3.655 20 0 EHADLO O=C(C[N@H+]1CCSC2(CCCCC2)C1)Nc1cc(F)ccc1F ZINC000430774838 1022677623 /nfs/dbraw/zinc/67/76/23/1022677623.db2.gz HDTYBHVSXAUTLI-UHFFFAOYSA-N 1 2 340.439 3.655 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 ZINC000330834322 1022683917 /nfs/dbraw/zinc/68/39/17/1022683917.db2.gz HSJYZQHYYTZWNC-MWLCHTKSSA-N 1 2 330.354 3.770 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C(C)(C)C3CC3)n2)O1 ZINC000665009347 1022691295 /nfs/dbraw/zinc/69/12/95/1022691295.db2.gz HWKJOYJEOSQYRE-PBHICJAKSA-N 1 2 341.455 3.719 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C(C)(C)C3CC3)n2)O1 ZINC000665009347 1022691305 /nfs/dbraw/zinc/69/13/05/1022691305.db2.gz HWKJOYJEOSQYRE-PBHICJAKSA-N 1 2 341.455 3.719 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000506253242 1022726420 /nfs/dbraw/zinc/72/64/20/1022726420.db2.gz HNMRXYNYKJUDPX-PMACEKPBSA-N 1 2 346.515 3.637 20 0 EHADLO CC(C)C[C@H](NC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000506253242 1022726431 /nfs/dbraw/zinc/72/64/31/1022726431.db2.gz HNMRXYNYKJUDPX-PMACEKPBSA-N 1 2 346.515 3.637 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCc3c(C)cccc3C2)C1 ZINC000729466656 1022779413 /nfs/dbraw/zinc/77/94/13/1022779413.db2.gz XHTWYUWNZCZTRE-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCc3c(C)cccc3C2)C1 ZINC000729466656 1022779420 /nfs/dbraw/zinc/77/94/20/1022779420.db2.gz XHTWYUWNZCZTRE-HNNXBMFYSA-N 1 2 342.508 3.749 20 0 EHADLO CC1(C)CC[N@H+](Cc2cccc(Oc3ccccn3)c2)CC[S@@]1=O ZINC000894742437 1022839352 /nfs/dbraw/zinc/83/93/52/1022839352.db2.gz DXDMCLQCLFDTEZ-DEOSSOPVSA-N 1 2 344.480 3.607 20 0 EHADLO CC1(C)CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)CC[S@@]1=O ZINC000894742437 1022839368 /nfs/dbraw/zinc/83/93/68/1022839368.db2.gz DXDMCLQCLFDTEZ-DEOSSOPVSA-N 1 2 344.480 3.607 20 0 EHADLO Cc1cc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)cnc1F ZINC000894749710 1022846747 /nfs/dbraw/zinc/84/67/47/1022846747.db2.gz CUYQOFLJJXDQRI-UHFFFAOYSA-N 1 2 346.406 3.561 20 0 EHADLO Cc1cccn2cc(CC(=O)NC(C)(C)c3ccc(F)cc3F)[nH+]c12 ZINC000894771737 1022867036 /nfs/dbraw/zinc/86/70/36/1022867036.db2.gz UBGCUKTWYNBSBW-UHFFFAOYSA-N 1 2 343.377 3.515 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2CCC[C@H]21 ZINC000426092297 1022885946 /nfs/dbraw/zinc/88/59/46/1022885946.db2.gz QMYNXDWNQHXSQT-UKRRQHHQSA-N 1 2 334.489 3.535 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441457798 1022894732 /nfs/dbraw/zinc/89/47/32/1022894732.db2.gz PCUOGGQBLKSJFO-HNNXBMFYSA-N 1 2 348.512 3.771 20 0 EHADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441457798 1022894739 /nfs/dbraw/zinc/89/47/39/1022894739.db2.gz PCUOGGQBLKSJFO-HNNXBMFYSA-N 1 2 348.512 3.771 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCCC4)n2)C1 ZINC000426106286 1022903976 /nfs/dbraw/zinc/90/39/76/1022903976.db2.gz ZGSBANOSZZUBNW-CQSZACIVSA-N 1 2 348.516 3.783 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCCC4)n2)C1 ZINC000426106286 1022903989 /nfs/dbraw/zinc/90/39/89/1022903989.db2.gz ZGSBANOSZZUBNW-CQSZACIVSA-N 1 2 348.516 3.783 20 0 EHADLO CC(C)(C)n1cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)nn1 ZINC000276796814 1022958482 /nfs/dbraw/zinc/95/84/82/1022958482.db2.gz UVKSMPJQGSCTTO-UHFFFAOYSA-N 1 2 334.414 3.691 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000426731115 1022999703 /nfs/dbraw/zinc/99/97/03/1022999703.db2.gz CSAHHBDSCLUEQW-GFCCVEGCSA-N 1 2 333.819 3.909 20 0 EHADLO COCc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341686121 1023006545 /nfs/dbraw/zinc/00/65/45/1023006545.db2.gz BFMDPKYLCIPWQB-GOSISDBHSA-N 1 2 335.407 3.717 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000562965107 1023016198 /nfs/dbraw/zinc/01/61/98/1023016198.db2.gz PWYUJMFKAJAUBT-ZBFHGGJFSA-N 1 2 331.847 3.838 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000562965107 1023016212 /nfs/dbraw/zinc/01/62/12/1023016212.db2.gz PWYUJMFKAJAUBT-ZBFHGGJFSA-N 1 2 331.847 3.838 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000891860439 1023115165 /nfs/dbraw/zinc/11/51/65/1023115165.db2.gz HDTDXQDKZHJRBQ-IBGZPJMESA-N 1 2 349.482 3.616 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000891860439 1023115168 /nfs/dbraw/zinc/11/51/68/1023115168.db2.gz HDTDXQDKZHJRBQ-IBGZPJMESA-N 1 2 349.482 3.616 20 0 EHADLO C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C[C@H]2C[C@H]2C1 ZINC000550412913 1023127172 /nfs/dbraw/zinc/12/71/72/1023127172.db2.gz QOWMIVOARLJDNF-YRWFTTLQSA-N 1 2 327.472 3.514 20 0 EHADLO C[C@@H](CNC(=O)C(C)(C)c1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000295025587 1023148135 /nfs/dbraw/zinc/14/81/35/1023148135.db2.gz RANSJSSDHIRMOP-INIZCTEOSA-N 1 2 335.451 3.766 20 0 EHADLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(C)o1 ZINC000441488222 1023207380 /nfs/dbraw/zinc/20/73/80/1023207380.db2.gz HZQMNJUMLIWCCB-LJQANCHMSA-N 1 2 337.423 3.881 20 0 EHADLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)c1 ZINC000198529603 1033116440 /nfs/dbraw/zinc/11/64/40/1033116440.db2.gz DJTRKCKWKVSBNN-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)c1 ZINC000198529603 1033116450 /nfs/dbraw/zinc/11/64/50/1033116450.db2.gz DJTRKCKWKVSBNN-GOSISDBHSA-N 1 2 346.377 3.749 20 0 EHADLO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccn4cc[nH+]c4c3)s2)o1 ZINC000507348417 1023258834 /nfs/dbraw/zinc/25/88/34/1023258834.db2.gz KPKQBYPOGGVXKC-UHFFFAOYSA-N 1 2 338.392 3.920 20 0 EHADLO CCCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000518358780 1023259403 /nfs/dbraw/zinc/25/94/03/1023259403.db2.gz CVQRMLFPROHPSE-INIZCTEOSA-N 1 2 338.451 3.861 20 0 EHADLO CCCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000518358780 1023259414 /nfs/dbraw/zinc/25/94/14/1023259414.db2.gz CVQRMLFPROHPSE-INIZCTEOSA-N 1 2 338.451 3.861 20 0 EHADLO Cc1cc(C)c(CNC(=O)N(Cc2ccccc2F)C(C)C)c[nH+]1 ZINC000459082618 1023260100 /nfs/dbraw/zinc/26/01/00/1023260100.db2.gz SCYJVQMEELKQFQ-UHFFFAOYSA-N 1 2 329.419 3.958 20 0 EHADLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(-c2ccncc2)cc1F ZINC000092192044 1023334324 /nfs/dbraw/zinc/33/43/24/1023334324.db2.gz INEPDUVTINFRFK-UHFFFAOYSA-N 1 2 343.446 3.626 20 0 EHADLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(-c2ccncc2)cc1F ZINC000092192044 1023334334 /nfs/dbraw/zinc/33/43/34/1023334334.db2.gz INEPDUVTINFRFK-UHFFFAOYSA-N 1 2 343.446 3.626 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568111 1033126919 /nfs/dbraw/zinc/12/69/19/1033126919.db2.gz VYORPNQTNALUSO-FNODVLLQSA-N 1 2 346.427 3.897 20 0 EHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119568111 1033126924 /nfs/dbraw/zinc/12/69/24/1033126924.db2.gz VYORPNQTNALUSO-FNODVLLQSA-N 1 2 346.427 3.897 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2noc3ccccc32)n1 ZINC000593963654 1033128392 /nfs/dbraw/zinc/12/83/92/1033128392.db2.gz RDWDMLJLCOZCJR-LBPRGKRZSA-N 1 2 346.456 3.699 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2noc3ccccc32)n1 ZINC000593963654 1033128400 /nfs/dbraw/zinc/12/84/00/1033128400.db2.gz RDWDMLJLCOZCJR-LBPRGKRZSA-N 1 2 346.456 3.699 20 0 EHADLO Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341855697 1023465533 /nfs/dbraw/zinc/46/55/33/1023465533.db2.gz UNDCFXYACDVBTL-QGZVFWFLSA-N 1 2 333.435 3.601 20 0 EHADLO CCOc1c(Cl)cccc1C[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000602744826 1033135934 /nfs/dbraw/zinc/13/59/34/1033135934.db2.gz SSQRLEOAQUYLAS-UHFFFAOYSA-N 1 2 337.803 3.717 20 0 EHADLO Nc1nc(N2CCC(CCc3ccc(O)cc3)CC2)[nH+]c2ccccc12 ZINC000535721306 1023592017 /nfs/dbraw/zinc/59/20/17/1023592017.db2.gz BPPBPWMKAXPIBN-UHFFFAOYSA-N 1 2 348.450 3.597 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)s1 ZINC000602758735 1033147950 /nfs/dbraw/zinc/14/79/50/1033147950.db2.gz NKWFXDYFBDYYHZ-GFCCVEGCSA-N 1 2 334.441 3.521 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)s1 ZINC000602758735 1033147959 /nfs/dbraw/zinc/14/79/59/1033147959.db2.gz NKWFXDYFBDYYHZ-GFCCVEGCSA-N 1 2 334.441 3.521 20 0 EHADLO COc1ccc(-c2ocnc2C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000341924836 1023701105 /nfs/dbraw/zinc/70/11/05/1023701105.db2.gz HHSTZTWMJHNCMZ-UHFFFAOYSA-N 1 2 348.362 3.559 20 0 EHADLO CCOC(=O)c1ncc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)s1 ZINC000602781491 1033155186 /nfs/dbraw/zinc/15/51/86/1033155186.db2.gz ZKJYYOBJZCDBMB-LBPRGKRZSA-N 1 2 334.441 3.609 20 0 EHADLO CCOC(=O)c1ncc(C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)s1 ZINC000602781491 1033155201 /nfs/dbraw/zinc/15/52/01/1033155201.db2.gz ZKJYYOBJZCDBMB-LBPRGKRZSA-N 1 2 334.441 3.609 20 0 EHADLO Cn1c(NCc2c[nH]nc2-c2cccs2)[nH+]c2cccc(Cl)c21 ZINC000341980053 1023730405 /nfs/dbraw/zinc/73/04/05/1023730405.db2.gz GDRXVJPURILHNE-UHFFFAOYSA-N 1 2 343.843 3.712 20 0 EHADLO CC(C)([NH2+]Cn1ncsc1=S)c1ccc(Br)cc1 ZINC000065188162 1023873994 /nfs/dbraw/zinc/87/39/94/1023873994.db2.gz SXHNWDKFGXOIQE-UHFFFAOYSA-N 1 2 344.303 3.919 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967593 1023914180 /nfs/dbraw/zinc/91/41/80/1023914180.db2.gz JYZYOLUDXZCQAY-XLIONFOSSA-N 1 2 349.434 3.657 20 0 EHADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967593 1023914191 /nfs/dbraw/zinc/91/41/91/1023914191.db2.gz JYZYOLUDXZCQAY-XLIONFOSSA-N 1 2 349.434 3.657 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Cl)c1F ZINC000150848069 1023963518 /nfs/dbraw/zinc/96/35/18/1023963518.db2.gz ZQIXPOXZBVXKRP-UHFFFAOYSA-N 1 2 347.752 3.734 20 0 EHADLO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cn(-c2ccccc2)nn1 ZINC000150859435 1023966631 /nfs/dbraw/zinc/96/66/31/1023966631.db2.gz YRKZJAZVUZTRRF-ZDUSSCGKSA-N 1 2 344.365 3.720 20 0 EHADLO O=C(COc1ccccc1-c1ccccc1)NCCCCn1cc[nH+]c1 ZINC000522189674 1024011357 /nfs/dbraw/zinc/01/13/57/1024011357.db2.gz SPLLNXHRYUIMMS-UHFFFAOYSA-N 1 2 349.434 3.526 20 0 EHADLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434395000 1024012900 /nfs/dbraw/zinc/01/29/00/1024012900.db2.gz OGHDFFRJMNETDB-JKSUJKDBSA-N 1 2 346.519 3.933 20 0 EHADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513988861 1024031527 /nfs/dbraw/zinc/03/15/27/1024031527.db2.gz DTPZNZHQDFBOJD-KDOFPFPSSA-N 1 2 328.843 3.617 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCCCCn1cc[nH+]c1 ZINC000520525154 1024045770 /nfs/dbraw/zinc/04/57/70/1024045770.db2.gz ZKBHSIDZHAIAEL-ZIFCJYIRSA-N 1 2 340.471 3.639 20 0 EHADLO CN(Cc1cnccn1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443516629 1024076140 /nfs/dbraw/zinc/07/61/40/1024076140.db2.gz GRVDSVRARPPUAN-UHFFFAOYSA-N 1 2 347.191 3.563 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3ccsc3)[nH+]c12 ZINC000522238894 1024082832 /nfs/dbraw/zinc/08/28/32/1024082832.db2.gz UBGDAQZMTGHAHH-INIZCTEOSA-N 1 2 325.437 3.610 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3ccc(C)c4ncccc34)[nH+]c12 ZINC000522237331 1024095259 /nfs/dbraw/zinc/09/52/59/1024095259.db2.gz JKHRRGIELSDCSG-UHFFFAOYSA-N 1 2 330.391 3.681 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000514078748 1024105956 /nfs/dbraw/zinc/10/59/56/1024105956.db2.gz QWHPBYCEKYOCQN-AWEZNQCLSA-N 1 2 332.394 3.857 20 0 EHADLO O=C(CC1(CCc2ccccc2)CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000522258855 1024117967 /nfs/dbraw/zinc/11/79/67/1024117967.db2.gz KCROJLRIQFBKMA-UHFFFAOYSA-N 1 2 337.467 3.850 20 0 EHADLO Fc1c(Br)ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1F ZINC001141743084 1024141519 /nfs/dbraw/zinc/14/15/19/1024141519.db2.gz CNCADDJWBQMOET-ZWNOBZJWSA-N 1 2 346.215 3.728 20 0 EHADLO Fc1c(Br)ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1F ZINC001141743084 1024141524 /nfs/dbraw/zinc/14/15/24/1024141524.db2.gz CNCADDJWBQMOET-ZWNOBZJWSA-N 1 2 346.215 3.728 20 0 EHADLO COC(=O)[C@H]([NH2+][C@@H](Cc1ccccc1)c1sccc1C)C1CC1 ZINC000514121032 1024163382 /nfs/dbraw/zinc/16/33/82/1024163382.db2.gz QXKMPWIFEOFHCG-DLBZAZTESA-N 1 2 329.465 3.882 20 0 EHADLO Cc1nc2nc(=S)n(C[N@H+]3CC[C@@H](C)C(C)(C)C3)n2c(C)c1C ZINC000759000279 1024176155 /nfs/dbraw/zinc/17/61/55/1024176155.db2.gz PTTMDFUHYORMJH-LLVKDONJSA-N 1 2 333.505 3.511 20 0 EHADLO Cc1nc2nc(=S)n(C[N@@H+]3CC[C@@H](C)C(C)(C)C3)n2c(C)c1C ZINC000759000279 1024176166 /nfs/dbraw/zinc/17/61/66/1024176166.db2.gz PTTMDFUHYORMJH-LLVKDONJSA-N 1 2 333.505 3.511 20 0 EHADLO Cc1cc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c(C)c[nH+]1 ZINC000548520478 1024212758 /nfs/dbraw/zinc/21/27/58/1024212758.db2.gz NVUYJBXCHSRNDS-UHFFFAOYSA-N 1 2 341.411 3.564 20 0 EHADLO Cc1coc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1 ZINC000895289931 1024224750 /nfs/dbraw/zinc/22/47/50/1024224750.db2.gz AJGOAZIXUVZZPE-IBGZPJMESA-N 1 2 343.471 3.794 20 0 EHADLO Cc1coc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1 ZINC000895289931 1024224769 /nfs/dbraw/zinc/22/47/69/1024224769.db2.gz AJGOAZIXUVZZPE-IBGZPJMESA-N 1 2 343.471 3.794 20 0 EHADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(C)s1 ZINC000443615784 1024242057 /nfs/dbraw/zinc/24/20/57/1024242057.db2.gz PAEVKAOOYUSXRF-QGZVFWFLSA-N 1 2 343.496 3.544 20 0 EHADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(C)s1 ZINC000443615784 1024242072 /nfs/dbraw/zinc/24/20/72/1024242072.db2.gz PAEVKAOOYUSXRF-QGZVFWFLSA-N 1 2 343.496 3.544 20 0 EHADLO CC(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)(C1CC1)C1CC1 ZINC000664431539 1024245149 /nfs/dbraw/zinc/24/51/49/1024245149.db2.gz KSAQGMVIBILCEI-UHFFFAOYSA-N 1 2 348.516 3.829 20 0 EHADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000324158710 1024257889 /nfs/dbraw/zinc/25/78/89/1024257889.db2.gz ASXSXBYNYBKMHJ-LSDHHAIUSA-N 1 2 328.460 3.733 20 0 EHADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985340 1024276769 /nfs/dbraw/zinc/27/67/69/1024276769.db2.gz DDPOHENTMRAZCW-QZTJIDSGSA-N 1 2 340.471 3.550 20 0 EHADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329985340 1024276774 /nfs/dbraw/zinc/27/67/74/1024276774.db2.gz DDPOHENTMRAZCW-QZTJIDSGSA-N 1 2 340.471 3.550 20 0 EHADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000366591211 1024326501 /nfs/dbraw/zinc/32/65/01/1024326501.db2.gz VTLVLJDZBQCHBY-LJQANCHMSA-N 1 2 347.418 3.944 20 0 EHADLO CCCC1CCC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000330146246 1024333879 /nfs/dbraw/zinc/33/38/79/1024333879.db2.gz HVJQTFNCQDRVHZ-UHFFFAOYSA-N 1 2 326.444 3.698 20 0 EHADLO CCCc1csc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000348716635 1024340770 /nfs/dbraw/zinc/34/07/70/1024340770.db2.gz BSVXZKGPDVOSMW-UHFFFAOYSA-N 1 2 326.425 3.842 20 0 EHADLO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000645415385 1024350921 /nfs/dbraw/zinc/35/09/21/1024350921.db2.gz SENBOODFOSGBLA-LOWVWBTDSA-N 1 2 344.406 3.914 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000550558480 1024352841 /nfs/dbraw/zinc/35/28/41/1024352841.db2.gz VOTQSCJMVFXSDV-RHSMWYFYSA-N 1 2 338.879 3.722 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000550558480 1024352858 /nfs/dbraw/zinc/35/28/58/1024352858.db2.gz VOTQSCJMVFXSDV-RHSMWYFYSA-N 1 2 338.879 3.722 20 0 EHADLO c1ccc(-c2nccnc2N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000895350401 1024354215 /nfs/dbraw/zinc/35/42/15/1024354215.db2.gz SDVRDXCJHBKHTR-UHFFFAOYSA-N 1 2 331.423 3.620 20 0 EHADLO Cc1cc(Br)c(C[NH2+]Cc2nccn2C2CC2)s1 ZINC000895379468 1024429210 /nfs/dbraw/zinc/42/92/10/1024429210.db2.gz BVOUSHNMCWJLNV-UHFFFAOYSA-N 1 2 326.263 3.640 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)c1ccccc1 ZINC000434795838 1024430894 /nfs/dbraw/zinc/43/08/94/1024430894.db2.gz OPWHDVXHHOASBI-OALUTQOASA-N 1 2 337.419 3.638 20 0 EHADLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCC(=O)c1ccccc1 ZINC000434795838 1024430905 /nfs/dbraw/zinc/43/09/05/1024430905.db2.gz OPWHDVXHHOASBI-OALUTQOASA-N 1 2 337.419 3.638 20 0 EHADLO C[C@H](CCC1CCCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000522394512 1024437761 /nfs/dbraw/zinc/43/77/61/1024437761.db2.gz NFEXYZNOEPDMGB-MRXNPFEDSA-N 1 2 346.519 3.810 20 0 EHADLO CS[C@@H]1CCCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425201531 1024437917 /nfs/dbraw/zinc/43/79/17/1024437917.db2.gz ALWMBEPSPLALSP-SJORKVTESA-N 1 2 343.496 3.676 20 0 EHADLO CC[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000505529229 1024439491 /nfs/dbraw/zinc/43/94/91/1024439491.db2.gz FWKQHKMANOFRQU-OXQOHEQNSA-N 1 2 340.442 3.883 20 0 EHADLO Cc1ccc(/C=C/CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505530377 1024444731 /nfs/dbraw/zinc/44/47/31/1024444731.db2.gz QBHLPNFKCVTBSK-ZFDYTMOGSA-N 1 2 338.426 3.711 20 0 EHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCOc3ccc(Br)cc32)no1 ZINC000281943619 1024463942 /nfs/dbraw/zinc/46/39/42/1024463942.db2.gz BQEPUYFFFSRNAO-MFKMUULPSA-N 1 2 337.217 3.920 20 0 EHADLO CC[C@@H](CSC)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425228493 1024464197 /nfs/dbraw/zinc/46/41/97/1024464197.db2.gz KGZBNQYNCLAECJ-HOTGVXAUSA-N 1 2 331.485 3.532 20 0 EHADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](c1cccnc1)C1CC1 ZINC000425224303 1024469847 /nfs/dbraw/zinc/46/98/47/1024469847.db2.gz KVUCXFGZQFBVDV-UYAOXDASSA-N 1 2 346.434 3.594 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555647 1024473007 /nfs/dbraw/zinc/47/30/07/1024473007.db2.gz PSCXBNRRPLJRFL-DZGCQCFKSA-N 1 2 344.484 3.719 20 0 EHADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000505555647 1024473013 /nfs/dbraw/zinc/47/30/13/1024473013.db2.gz PSCXBNRRPLJRFL-DZGCQCFKSA-N 1 2 344.484 3.719 20 0 EHADLO Cc1nc([C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)no1 ZINC000895400016 1024478155 /nfs/dbraw/zinc/47/81/55/1024478155.db2.gz FSDHDYFKAWVEOR-SNVBAGLBSA-N 1 2 332.766 3.713 20 0 EHADLO CCC1(CC)C[N@H+](CCSc2ccccc2F)CC[S@]1=O ZINC000346172789 1024486124 /nfs/dbraw/zinc/48/61/24/1024486124.db2.gz FCGCHJDSZZPSGW-OAQYLSRUSA-N 1 2 329.506 3.541 20 0 EHADLO CCC1(CC)C[N@@H+](CCSc2ccccc2F)CC[S@]1=O ZINC000346172789 1024486134 /nfs/dbraw/zinc/48/61/34/1024486134.db2.gz FCGCHJDSZZPSGW-OAQYLSRUSA-N 1 2 329.506 3.541 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000346172432 1024486653 /nfs/dbraw/zinc/48/66/53/1024486653.db2.gz IFMDSALUSDBDEV-UHFFFAOYSA-N 1 2 329.363 3.515 20 0 EHADLO CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCc2ccccc2C1 ZINC000346212884 1024504389 /nfs/dbraw/zinc/50/43/89/1024504389.db2.gz BXRXOWPWNBIRSR-QZTJIDSGSA-N 1 2 337.467 3.626 20 0 EHADLO O=C(C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000346192780 1024514281 /nfs/dbraw/zinc/51/42/81/1024514281.db2.gz MVYPJXPIZGQANY-INIZCTEOSA-N 1 2 340.389 3.855 20 0 EHADLO O=C(C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000346192780 1024514305 /nfs/dbraw/zinc/51/43/05/1024514305.db2.gz MVYPJXPIZGQANY-INIZCTEOSA-N 1 2 340.389 3.855 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000346199030 1024521120 /nfs/dbraw/zinc/52/11/20/1024521120.db2.gz KMHVQTWTANXSDC-UHFFFAOYSA-N 1 2 347.353 3.654 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1CN1CCc2ccccc21 ZINC000346240673 1024554700 /nfs/dbraw/zinc/55/47/00/1024554700.db2.gz PTVUYLRNZJFIFO-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO CN(Cc1ccccc1)c1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000346274488 1024564482 /nfs/dbraw/zinc/56/44/82/1024564482.db2.gz FEZPPDPGRPJVAQ-UHFFFAOYSA-N 1 2 334.423 3.617 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@]1(C)O ZINC001143428442 1024565817 /nfs/dbraw/zinc/56/58/17/1024565817.db2.gz JGUZCAGCDAHNOY-HZMBPMFUSA-N 1 2 337.769 3.831 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2OC(F)(F)F)CC[C@]1(C)O ZINC001143428442 1024565827 /nfs/dbraw/zinc/56/58/27/1024565827.db2.gz JGUZCAGCDAHNOY-HZMBPMFUSA-N 1 2 337.769 3.831 20 0 EHADLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000897879437 1033220498 /nfs/dbraw/zinc/22/04/98/1033220498.db2.gz HBUVOBFJLXKNRC-QZTJIDSGSA-N 1 2 325.456 3.627 20 0 EHADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366621387 1024587109 /nfs/dbraw/zinc/58/71/09/1024587109.db2.gz WMRBFXNTHIXALN-APWZRJJASA-N 1 2 341.430 3.632 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000474238641 1024616798 /nfs/dbraw/zinc/61/67/98/1024616798.db2.gz MDSFBMUYSZAFQR-RTBURBONSA-N 1 2 348.450 3.860 20 0 EHADLO CC(C)CCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614669328 1024631009 /nfs/dbraw/zinc/63/10/09/1024631009.db2.gz OCVPHWHAKUWTLD-UHFFFAOYSA-N 1 2 337.533 3.824 20 0 EHADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000346306273 1024631853 /nfs/dbraw/zinc/63/18/53/1024631853.db2.gz MOTTUIRUYZWIFL-CQSZACIVSA-N 1 2 335.407 3.930 20 0 EHADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cs1 ZINC000548603284 1024652060 /nfs/dbraw/zinc/65/20/60/1024652060.db2.gz VCNKQMRKWSDWKO-SNVBAGLBSA-N 1 2 347.465 3.780 20 0 EHADLO CC(C)N1CCc2nc(C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)sc2C1 ZINC000346334596 1024657089 /nfs/dbraw/zinc/65/70/89/1024657089.db2.gz RYBQFKKYWQSRME-OAHLLOKOSA-N 1 2 333.545 3.922 20 0 EHADLO CC(C)N1CCc2nc(C[N@H+]3CC[C@@H](C)C4(CCC4)C3)sc2C1 ZINC000346334596 1024657093 /nfs/dbraw/zinc/65/70/93/1024657093.db2.gz RYBQFKKYWQSRME-OAHLLOKOSA-N 1 2 333.545 3.922 20 0 EHADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425286520 1024658822 /nfs/dbraw/zinc/65/88/22/1024658822.db2.gz URCVLHFJXDEXQA-MUQADHOPSA-N 1 2 325.456 3.825 20 0 EHADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000514712664 1024689797 /nfs/dbraw/zinc/68/97/97/1024689797.db2.gz IYVRQVXLUFMFDW-UHFFFAOYSA-N 1 2 326.440 3.779 20 0 EHADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000514712664 1024689804 /nfs/dbraw/zinc/68/98/04/1024689804.db2.gz IYVRQVXLUFMFDW-UHFFFAOYSA-N 1 2 326.440 3.779 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2c(F)cccc2Cl)CCN1 ZINC000052834104 1024715761 /nfs/dbraw/zinc/71/57/61/1024715761.db2.gz GTRXLPMDTSCUEO-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c(F)cccc2Cl)CCN1 ZINC000052834104 1024715771 /nfs/dbraw/zinc/71/57/71/1024715771.db2.gz GTRXLPMDTSCUEO-QGZVFWFLSA-N 1 2 332.806 3.542 20 0 EHADLO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cscn2)CC1 ZINC001137591429 1024717153 /nfs/dbraw/zinc/71/71/53/1024717153.db2.gz RAACBYUWYXICCP-UHFFFAOYSA-N 1 2 329.469 3.551 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000346435368 1024730432 /nfs/dbraw/zinc/73/04/32/1024730432.db2.gz CMHIZGUMVWCXSG-IBGZPJMESA-N 1 2 341.361 3.643 20 0 EHADLO CCc1nnc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000157067891 1024758786 /nfs/dbraw/zinc/75/87/86/1024758786.db2.gz LNSCDUMMCCFLQO-CYBMUJFWSA-N 1 2 335.835 3.576 20 0 EHADLO CCc1nnc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000157067891 1024758797 /nfs/dbraw/zinc/75/87/97/1024758797.db2.gz LNSCDUMMCCFLQO-CYBMUJFWSA-N 1 2 335.835 3.576 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)s1 ZINC000368073252 1024763342 /nfs/dbraw/zinc/76/33/42/1024763342.db2.gz KTQCRXBYNHLUHO-GXFFZTMASA-N 1 2 334.407 3.860 20 0 EHADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)s1 ZINC000368073252 1024763353 /nfs/dbraw/zinc/76/33/53/1024763353.db2.gz KTQCRXBYNHLUHO-GXFFZTMASA-N 1 2 334.407 3.860 20 0 EHADLO CCC1(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCCC1 ZINC000474333703 1024769991 /nfs/dbraw/zinc/76/99/91/1024769991.db2.gz CXLOFVWWTAJWFW-UHFFFAOYSA-N 1 2 333.476 3.819 20 0 EHADLO C[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC(F)(F)F ZINC000425327766 1024772334 /nfs/dbraw/zinc/77/23/34/1024772334.db2.gz NLRNWLVXXRNCIX-OCCSQVGLSA-N 1 2 339.361 3.636 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000346505616 1024784262 /nfs/dbraw/zinc/78/42/62/1024784262.db2.gz LVGOBEBEUJUFCL-HUUCEWRRSA-N 1 2 330.428 3.501 20 0 EHADLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000346505616 1024784271 /nfs/dbraw/zinc/78/42/71/1024784271.db2.gz LVGOBEBEUJUFCL-HUUCEWRRSA-N 1 2 330.428 3.501 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2cccc3c2CCOC3)cs1 ZINC000895770293 1024812240 /nfs/dbraw/zinc/81/22/40/1024812240.db2.gz LPEZQCAOURRMRC-UHFFFAOYSA-N 1 2 328.359 3.524 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cnc(C2CCC2)s1)CC1CC1 ZINC000425352481 1024821727 /nfs/dbraw/zinc/82/17/27/1024821727.db2.gz HRNQWEWWUFXUHO-SFHVURJKSA-N 1 2 336.501 3.964 20 0 EHADLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cnc(C2CCC2)s1)CC1CC1 ZINC000425352481 1024821749 /nfs/dbraw/zinc/82/17/49/1024821749.db2.gz HRNQWEWWUFXUHO-SFHVURJKSA-N 1 2 336.501 3.964 20 0 EHADLO Cc1cn(C(C)(C)C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c[nH+]1 ZINC000895813687 1024865637 /nfs/dbraw/zinc/86/56/37/1024865637.db2.gz LZXHEMFFUOMXPP-UHFFFAOYSA-N 1 2 338.411 3.837 20 0 EHADLO FC1(F)CC[C@H](c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310369 1024875165 /nfs/dbraw/zinc/87/51/65/1024875165.db2.gz HYHCDZMQOQSGGL-LSDHHAIUSA-N 1 2 349.381 3.546 20 0 EHADLO FC1(F)CC[C@H](c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000281310369 1024875173 /nfs/dbraw/zinc/87/51/73/1024875173.db2.gz HYHCDZMQOQSGGL-LSDHHAIUSA-N 1 2 349.381 3.546 20 0 EHADLO FC[C@H]1[C@@H]2C[N@H+](Cc3c(F)cc(Cl)cc3Br)C[C@H]12 ZINC001141844353 1024876431 /nfs/dbraw/zinc/87/64/31/1024876431.db2.gz VBHKUFZFSVOKCL-OWUUHHOZSA-N 1 2 336.607 3.889 20 0 EHADLO FC[C@H]1[C@@H]2C[N@@H+](Cc3c(F)cc(Cl)cc3Br)C[C@H]12 ZINC001141844353 1024876449 /nfs/dbraw/zinc/87/64/49/1024876449.db2.gz VBHKUFZFSVOKCL-OWUUHHOZSA-N 1 2 336.607 3.889 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000281285118 1024879920 /nfs/dbraw/zinc/87/99/20/1024879920.db2.gz MHYQVOJYQZZHDX-SFHVURJKSA-N 1 2 340.471 3.659 20 0 EHADLO CC(C)c1ccc([C@@H]2CCCC[N@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000281285118 1024879934 /nfs/dbraw/zinc/87/99/34/1024879934.db2.gz MHYQVOJYQZZHDX-SFHVURJKSA-N 1 2 340.471 3.659 20 0 EHADLO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000346543489 1024880833 /nfs/dbraw/zinc/88/08/33/1024880833.db2.gz FXKMFNNQKHVTFQ-KBPBESRZSA-N 1 2 328.464 3.548 20 0 EHADLO COC[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000342331997 1024906720 /nfs/dbraw/zinc/90/67/20/1024906720.db2.gz XXABMVQTJDXZIH-IBGZPJMESA-N 1 2 339.414 3.548 20 0 EHADLO Cc1cc(C)c2cc(N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000895875489 1024923301 /nfs/dbraw/zinc/92/33/01/1024923301.db2.gz IHIGKUYVDPEEHC-GDBMZVCRSA-N 1 2 332.469 3.619 20 0 EHADLO CC(C)Oc1ccc(C=CC(=O)NNc2cc[nH+]cc2Cl)cc1 ZINC000135896838 1033246213 /nfs/dbraw/zinc/24/62/13/1033246213.db2.gz AIUWQUQRXZRURN-VMPITWQZSA-N 1 2 331.803 3.679 20 0 EHADLO C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342337613 1024960248 /nfs/dbraw/zinc/96/02/48/1024960248.db2.gz ZULMYIUAOZCPJT-ZDUSSCGKSA-N 1 2 341.361 3.984 20 0 EHADLO c1cn(-c2ccnc(-c3nc(CCCc4ccsc4)no3)c2)c[nH+]1 ZINC000346659521 1024995886 /nfs/dbraw/zinc/99/58/86/1024995886.db2.gz ZXEOWZKINMZLMH-UHFFFAOYSA-N 1 2 337.408 3.554 20 0 EHADLO COC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000342343856 1025006663 /nfs/dbraw/zinc/00/66/63/1025006663.db2.gz NEWHGHSGEJYFQU-IBGZPJMESA-N 1 2 343.377 3.628 20 0 EHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCC(C)C)[C@@H](C)C1 ZINC000508288740 1025015925 /nfs/dbraw/zinc/01/59/25/1025015925.db2.gz OCQMVZAXZWKNSG-KRWDZBQOSA-N 1 2 332.488 3.554 20 0 EHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCC(C)C)[C@@H](C)C1 ZINC000508288740 1025015938 /nfs/dbraw/zinc/01/59/38/1025015938.db2.gz OCQMVZAXZWKNSG-KRWDZBQOSA-N 1 2 332.488 3.554 20 0 EHADLO Cc1cnc([C@@H](C)[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000428208622 1025035439 /nfs/dbraw/zinc/03/54/39/1025035439.db2.gz DNCHFDUDIDBARL-SECBINFHSA-N 1 2 327.272 3.663 20 0 EHADLO Cc1cnc([C@@H](C)[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000428208622 1025035449 /nfs/dbraw/zinc/03/54/49/1025035449.db2.gz DNCHFDUDIDBARL-SECBINFHSA-N 1 2 327.272 3.663 20 0 EHADLO COc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)ccc1C ZINC000157677879 1025036561 /nfs/dbraw/zinc/03/65/61/1025036561.db2.gz FBYNOGLYWCYIIF-INIZCTEOSA-N 1 2 338.411 3.719 20 0 EHADLO COc1cc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)ccc1C ZINC000157677879 1025036568 /nfs/dbraw/zinc/03/65/68/1025036568.db2.gz FBYNOGLYWCYIIF-INIZCTEOSA-N 1 2 338.411 3.719 20 0 EHADLO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511057836 1025051192 /nfs/dbraw/zinc/05/11/92/1025051192.db2.gz BZRRSSBDIOZMGW-LBPRGKRZSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@H](C)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511057836 1025051198 /nfs/dbraw/zinc/05/11/98/1025051198.db2.gz BZRRSSBDIOZMGW-LBPRGKRZSA-N 1 2 326.843 3.606 20 0 EHADLO Fc1ccc(CC2CC[NH+](Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425399118 1025062239 /nfs/dbraw/zinc/06/22/39/1025062239.db2.gz VYXKVMLQXCFUMA-UHFFFAOYSA-N 1 2 325.334 3.601 20 0 EHADLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346736630 1025070580 /nfs/dbraw/zinc/07/05/80/1025070580.db2.gz MCJJUANUOXWNFR-YWZLYKJASA-N 1 2 331.419 3.595 20 0 EHADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@@H](C)SCC)no2)C12CCC2 ZINC000152010340 1025077244 /nfs/dbraw/zinc/07/72/44/1025077244.db2.gz IYLGHENJEKHYOB-HZSPNIEDSA-N 1 2 339.505 3.663 20 0 EHADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@@H](C)SCC)no2)C12CCC2 ZINC000152010340 1025077248 /nfs/dbraw/zinc/07/72/48/1025077248.db2.gz IYLGHENJEKHYOB-HZSPNIEDSA-N 1 2 339.505 3.663 20 0 EHADLO CCc1onc(C)c1C[NH2+]Cc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC000896046429 1025097431 /nfs/dbraw/zinc/09/74/31/1025097431.db2.gz VNOVUKAVHPLTFB-UHFFFAOYSA-N 1 2 346.431 3.577 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](OC(C)C)c2ccccc2)n1 ZINC000428236805 1025103000 /nfs/dbraw/zinc/10/30/00/1025103000.db2.gz HEZRLAWFBLWEPR-DOTOQJQBSA-N 1 2 347.459 3.765 20 0 EHADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](OC(C)C)c2ccccc2)n1 ZINC000428236805 1025103006 /nfs/dbraw/zinc/10/30/06/1025103006.db2.gz HEZRLAWFBLWEPR-DOTOQJQBSA-N 1 2 347.459 3.765 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(Cl)cn1 ZINC000119640371 1025111603 /nfs/dbraw/zinc/11/16/03/1025111603.db2.gz WMTSCARNLQCNGS-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO Cc1cc(CNC(=O)CCn2c3ccccc3nc2C2CC2)cc(C)[nH+]1 ZINC000582056380 1025124244 /nfs/dbraw/zinc/12/42/44/1025124244.db2.gz VCGIMABOTXJDIA-UHFFFAOYSA-N 1 2 348.450 3.632 20 0 EHADLO FCCn1ncnc1C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000281522488 1025125042 /nfs/dbraw/zinc/12/50/42/1025125042.db2.gz USDIRRBPZXRFHH-ZGKFYVQTSA-N 1 2 328.435 3.706 20 0 EHADLO FCCn1ncnc1C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000281522488 1025125046 /nfs/dbraw/zinc/12/50/46/1025125046.db2.gz USDIRRBPZXRFHH-ZGKFYVQTSA-N 1 2 328.435 3.706 20 0 EHADLO COC[C@@H](C)Oc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000657319600 1025137080 /nfs/dbraw/zinc/13/70/80/1025137080.db2.gz BRGPTEVOZJQFLL-MRXNPFEDSA-N 1 2 337.423 3.898 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000157816127 1025162004 /nfs/dbraw/zinc/16/20/04/1025162004.db2.gz LDEAYEOOCIZYQP-QGZVFWFLSA-N 1 2 325.437 3.507 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000157816127 1025162009 /nfs/dbraw/zinc/16/20/09/1025162009.db2.gz LDEAYEOOCIZYQP-QGZVFWFLSA-N 1 2 325.437 3.507 20 0 EHADLO C[C@@H]1C[NH+](C(C)(C)CNc2ncc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000515341002 1025180085 /nfs/dbraw/zinc/18/00/85/1025180085.db2.gz NDVBWLMSIRLARV-GHMZBOCLSA-N 1 2 332.275 3.688 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)N1CC[C@H]1C1CCCC1 ZINC000896150190 1025186326 /nfs/dbraw/zinc/18/63/26/1025186326.db2.gz ABVQRFFDXMYMBM-BZSNNMDCSA-N 1 2 342.487 3.779 20 0 EHADLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)o1 ZINC000628161437 1025201890 /nfs/dbraw/zinc/20/18/90/1025201890.db2.gz CZSXTUJGHPVXEA-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)o1 ZINC000628161437 1025201903 /nfs/dbraw/zinc/20/19/03/1025201903.db2.gz CZSXTUJGHPVXEA-JTQLQIEISA-N 1 2 327.762 3.689 20 0 EHADLO CSC1CC[NH+](Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000602921219 1033265945 /nfs/dbraw/zinc/26/59/45/1033265945.db2.gz SKCUJXFHUKJDHW-UHFFFAOYSA-N 1 2 341.839 3.857 20 0 EHADLO CSC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000602923588 1033269522 /nfs/dbraw/zinc/26/95/22/1033269522.db2.gz SDQRQBAGCBLXJJ-GFCCVEGCSA-N 1 2 326.893 3.803 20 0 EHADLO C[C@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)CC(C)(C)C ZINC000190983252 1025264839 /nfs/dbraw/zinc/26/48/39/1025264839.db2.gz HNOBRPRQEFKIJM-SJORKVTESA-N 1 2 348.535 3.847 20 0 EHADLO CCc1ccccc1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190984587 1025266344 /nfs/dbraw/zinc/26/63/44/1025266344.db2.gz IKLSYRVSFGEADB-UHFFFAOYSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1ccccc1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190984587 1025266358 /nfs/dbraw/zinc/26/63/58/1025266358.db2.gz IKLSYRVSFGEADB-UHFFFAOYSA-N 1 2 330.472 3.611 20 0 EHADLO Fc1ccc2c(CCNc3cc(N4CCCCC4)nc[nH+]3)c[nH]c2c1 ZINC000346903015 1025281886 /nfs/dbraw/zinc/28/18/86/1025281886.db2.gz KLFRBMVFILCJEX-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO Fc1ccc2c(CCNc3cc(N4CCCCC4)[nH+]cn3)c[nH]c2c1 ZINC000346903015 1025281894 /nfs/dbraw/zinc/28/18/94/1025281894.db2.gz KLFRBMVFILCJEX-UHFFFAOYSA-N 1 2 339.418 3.742 20 0 EHADLO CC(C)(C)[C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000375669837 1025343727 /nfs/dbraw/zinc/34/37/27/1025343727.db2.gz WHVOFIRQUPLDTC-MRXNPFEDSA-N 1 2 344.503 3.518 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCCSC[C@H]3C)n2)c1 ZINC000934303669 1025347417 /nfs/dbraw/zinc/34/74/17/1025347417.db2.gz JXJJCKZDNYFNFR-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCCSC[C@H]3C)n2)c1 ZINC000934303669 1025347427 /nfs/dbraw/zinc/34/74/27/1025347427.db2.gz JXJJCKZDNYFNFR-OAHLLOKOSA-N 1 2 347.484 3.593 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000346978595 1025356115 /nfs/dbraw/zinc/35/61/15/1025356115.db2.gz UCSRGUFCNXAUAQ-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000346978595 1025356127 /nfs/dbraw/zinc/35/61/27/1025356127.db2.gz UCSRGUFCNXAUAQ-MRXNPFEDSA-N 1 2 349.356 3.876 20 0 EHADLO C[NH+](C)C1(c2nc(C(C)(C)c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000896340909 1025363014 /nfs/dbraw/zinc/36/30/14/1025363014.db2.gz NLDJFFCLAGGCIG-UHFFFAOYSA-N 1 2 339.361 3.965 20 0 EHADLO O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152219628 1025363215 /nfs/dbraw/zinc/36/32/15/1025363215.db2.gz RUOFNWNHVFMLJM-MAUKXSAKSA-N 1 2 343.858 3.757 20 0 EHADLO CC1(C)C[N@H+](Cc2ccc(F)c(Br)c2)[C@@H]1[C@H]1CCCO1 ZINC000515559332 1025366551 /nfs/dbraw/zinc/36/65/51/1025366551.db2.gz NJEFDJWUYMWVIA-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2ccc(F)c(Br)c2)[C@@H]1[C@H]1CCCO1 ZINC000515559332 1025366562 /nfs/dbraw/zinc/36/65/62/1025366562.db2.gz NJEFDJWUYMWVIA-HUUCEWRRSA-N 1 2 342.252 3.978 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346974700 1025372641 /nfs/dbraw/zinc/37/26/41/1025372641.db2.gz FMOJVYUWGBXGIM-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346974700 1025372654 /nfs/dbraw/zinc/37/26/54/1025372654.db2.gz FMOJVYUWGBXGIM-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCSc1ccccc1 ZINC000346984247 1025386349 /nfs/dbraw/zinc/38/63/49/1025386349.db2.gz OQJMNDBFAHRGLI-UHFFFAOYSA-N 1 2 345.512 3.867 20 0 EHADLO CCCn1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000277491102 1025388766 /nfs/dbraw/zinc/38/87/66/1025388766.db2.gz CRPBWCAQQWMFNA-UHFFFAOYSA-N 1 2 349.438 3.745 20 0 EHADLO O=C(N[C@@H]1CCCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346988550 1025390589 /nfs/dbraw/zinc/39/05/89/1025390589.db2.gz LAPSDDVZWKCPCL-LJQANCHMSA-N 1 2 335.382 3.819 20 0 EHADLO C[C@@H]1CC[C@@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000582141288 1025409980 /nfs/dbraw/zinc/40/99/80/1025409980.db2.gz MTGWUIFQOVKCNU-PBHICJAKSA-N 1 2 346.862 3.547 20 0 EHADLO CCSc1cccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000347013324 1025410535 /nfs/dbraw/zinc/41/05/35/1025410535.db2.gz HVFUSHSXOGQOBS-UHFFFAOYSA-N 1 2 329.469 3.604 20 0 EHADLO C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000521490239 1025416644 /nfs/dbraw/zinc/41/66/44/1025416644.db2.gz OJGFNOKEJTWZKU-IRXDYDNUSA-N 1 2 344.499 3.573 20 0 EHADLO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2nccn2C(C)C)ccn1 ZINC000657356226 1025429531 /nfs/dbraw/zinc/42/95/31/1025429531.db2.gz IUUFTGCKFATRCF-INIZCTEOSA-N 1 2 330.476 3.962 20 0 EHADLO Fc1ccccc1-c1nc(C[NH2+]Cc2ccnc3ccccc23)no1 ZINC000559561395 1025444124 /nfs/dbraw/zinc/44/41/24/1025444124.db2.gz GNYJXCZNOOESNZ-UHFFFAOYSA-N 1 2 334.354 3.714 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH+]c12 ZINC000684777574 1025445127 /nfs/dbraw/zinc/44/51/27/1025445127.db2.gz DDHOTYDGRVEGJY-DLBZAZTESA-N 1 2 339.826 3.511 20 0 EHADLO CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000347054557 1025449433 /nfs/dbraw/zinc/44/94/33/1025449433.db2.gz MTIXLZSRLUIGLD-GOSISDBHSA-N 1 2 325.456 3.972 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000522800316 1025455964 /nfs/dbraw/zinc/45/59/64/1025455964.db2.gz SAEKYNDQVRKLPK-MAUKXSAKSA-N 1 2 332.492 3.720 20 0 EHADLO CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000522800316 1025455975 /nfs/dbraw/zinc/45/59/75/1025455975.db2.gz SAEKYNDQVRKLPK-MAUKXSAKSA-N 1 2 332.492 3.720 20 0 EHADLO Fc1ccc(C[N@@H+]2CCc3ncccc3C2)cc1OC(F)(F)F ZINC001143441843 1025512187 /nfs/dbraw/zinc/51/21/87/1025512187.db2.gz CWNNXJRWHDWRCL-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO Fc1ccc(C[N@H+]2CCc3ncccc3C2)cc1OC(F)(F)F ZINC001143441843 1025512192 /nfs/dbraw/zinc/51/21/92/1025512192.db2.gz CWNNXJRWHDWRCL-UHFFFAOYSA-N 1 2 326.293 3.678 20 0 EHADLO CC(C)n1c[nH+]cc1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000574513258 1033287654 /nfs/dbraw/zinc/28/76/54/1033287654.db2.gz GVLZKWORHDZRTE-INIZCTEOSA-N 1 2 329.448 3.842 20 0 EHADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC(F)F)c1C ZINC000025945326 1025528265 /nfs/dbraw/zinc/52/82/65/1025528265.db2.gz MFEPRCGNPCCKJL-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OC(F)F)c1C ZINC000025945326 1025528280 /nfs/dbraw/zinc/52/82/80/1025528280.db2.gz MFEPRCGNPCCKJL-UHFFFAOYSA-N 1 2 348.393 3.975 20 0 EHADLO Cc1sc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1C(C)C ZINC000347118239 1025535712 /nfs/dbraw/zinc/53/57/12/1025535712.db2.gz XZCFMORZRSMPSL-UHFFFAOYSA-N 1 2 340.452 3.691 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000665453857 1025554608 /nfs/dbraw/zinc/55/46/08/1025554608.db2.gz VQDLBBLDPGLOSQ-QGZVFWFLSA-N 1 2 330.476 3.802 20 0 EHADLO O=C(N[C@@H]1CCCC12CCCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000665453857 1025554616 /nfs/dbraw/zinc/55/46/16/1025554616.db2.gz VQDLBBLDPGLOSQ-QGZVFWFLSA-N 1 2 330.476 3.802 20 0 EHADLO Cc1nc2[nH]ccc2c(NCc2cn(-c3ccccc3)nc2C(C)C)[nH+]1 ZINC000347134084 1025578794 /nfs/dbraw/zinc/57/87/94/1025578794.db2.gz NWGUHDXXTVBIIQ-UHFFFAOYSA-N 1 2 346.438 3.609 20 0 EHADLO COC(=O)[C@H]([NH2+]C1CCC(OC)CC1)c1cccc2ccccc21 ZINC000896544300 1025586970 /nfs/dbraw/zinc/58/69/70/1025586970.db2.gz YZHALQSYYNCOKE-LADRWXRNSA-N 1 2 327.424 3.601 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)ccc2[nH+]1 ZINC000436330783 1025596468 /nfs/dbraw/zinc/59/64/68/1025596468.db2.gz FGXOFWVWMPUQMW-IUODEOHRSA-N 1 2 342.349 3.599 20 0 EHADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1C ZINC000303664589 1025598950 /nfs/dbraw/zinc/59/89/50/1025598950.db2.gz XGBLQTYNFVSZMS-QGZVFWFLSA-N 1 2 340.467 3.530 20 0 EHADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1C ZINC000303664589 1025598962 /nfs/dbraw/zinc/59/89/62/1025598962.db2.gz XGBLQTYNFVSZMS-QGZVFWFLSA-N 1 2 340.467 3.530 20 0 EHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1cc2ccccc2s1 ZINC000179169559 1025619430 /nfs/dbraw/zinc/61/94/30/1025619430.db2.gz ZONPFTACVSQZRG-CHWSQXEVSA-N 1 2 334.510 3.516 20 0 EHADLO O=C(/C=C/c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281872908 1025620135 /nfs/dbraw/zinc/62/01/35/1025620135.db2.gz CQMSDPAGURWICD-DXRVJIQQSA-N 1 2 335.451 3.639 20 0 EHADLO CCc1ccnc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000347179342 1025621652 /nfs/dbraw/zinc/62/16/52/1025621652.db2.gz OQIXMRSRLPVJFX-UHFFFAOYSA-N 1 2 331.379 3.606 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000347186151 1025633305 /nfs/dbraw/zinc/63/33/05/1025633305.db2.gz DAQQXZDPFNKGPB-UHFFFAOYSA-N 1 2 335.316 3.986 20 0 EHADLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000347186151 1025633319 /nfs/dbraw/zinc/63/33/19/1025633319.db2.gz DAQQXZDPFNKGPB-UHFFFAOYSA-N 1 2 335.316 3.986 20 0 EHADLO CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OCC ZINC000277525319 1025665450 /nfs/dbraw/zinc/66/54/50/1025665450.db2.gz XUOSWGDIRVAFRL-UONOGXRCSA-N 1 2 346.475 3.966 20 0 EHADLO COc1cc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000436398939 1025680563 /nfs/dbraw/zinc/68/05/63/1025680563.db2.gz WHLBTZJEDQCZJP-UHFFFAOYSA-N 1 2 335.407 3.809 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1(CC)CC ZINC000582255533 1025681695 /nfs/dbraw/zinc/68/16/95/1025681695.db2.gz AHMCRUXZAHOOTL-RCCFBDPRSA-N 1 2 346.450 3.607 20 0 EHADLO O=C1[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CCCN1c1ccccc1F ZINC000179343719 1025688274 /nfs/dbraw/zinc/68/82/74/1025688274.db2.gz WKJADWAYDJXTGI-HNNXBMFYSA-N 1 2 344.352 3.595 20 0 EHADLO C[C@@H](c1nc(-c2ccc3c(c2)OCO3)no1)[N@@H+]1CCc2ccccc2C1 ZINC000443107078 1025717410 /nfs/dbraw/zinc/71/74/10/1025717410.db2.gz RZRQRQZPAPPHDP-ZDUSSCGKSA-N 1 2 349.390 3.585 20 0 EHADLO C[C@@H](c1nc(-c2ccc3c(c2)OCO3)no1)[N@H+]1CCc2ccccc2C1 ZINC000443107078 1025717433 /nfs/dbraw/zinc/71/74/33/1025717433.db2.gz RZRQRQZPAPPHDP-ZDUSSCGKSA-N 1 2 349.390 3.585 20 0 EHADLO Cc1ccc(C)c([C@@H]2CN(c3nc(N)c4ccccc4[nH+]3)[C@H](C)CO2)c1 ZINC000530370510 1025720501 /nfs/dbraw/zinc/72/05/01/1025720501.db2.gz LGRKEGPGRABZOL-BEFAXECRSA-N 1 2 348.450 3.626 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000505822532 1025730142 /nfs/dbraw/zinc/73/01/42/1025730142.db2.gz ZZCGKSFPJGOHHR-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO COC(=O)c1cc(F)ccc1C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000505822532 1025730159 /nfs/dbraw/zinc/73/01/59/1025730159.db2.gz ZZCGKSFPJGOHHR-UHFFFAOYSA-N 1 2 343.398 3.786 20 0 EHADLO CC[C@H](C)[C@@H](OC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563630 1025756984 /nfs/dbraw/zinc/75/69/84/1025756984.db2.gz DMRNKISRSUSYOJ-KBXCAEBGSA-N 1 2 341.455 3.886 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1cccc(F)c1 ZINC000443159794 1025756745 /nfs/dbraw/zinc/75/67/45/1025756745.db2.gz VMFVEUTZYXTRTB-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1cccc(F)c1 ZINC000443159794 1025756756 /nfs/dbraw/zinc/75/67/56/1025756756.db2.gz VMFVEUTZYXTRTB-UHFFFAOYSA-N 1 2 347.821 3.659 20 0 EHADLO CC[C@H]1CCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451282199 1025757470 /nfs/dbraw/zinc/75/74/70/1025757470.db2.gz BEOZAKKCZYQXKY-MAUKXSAKSA-N 1 2 329.488 3.752 20 0 EHADLO COCC1(C2CC2)C[NH+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000639379258 1025770199 /nfs/dbraw/zinc/77/01/99/1025770199.db2.gz GOTUGTCHMAOHQT-UHFFFAOYSA-N 1 2 328.481 3.977 20 0 EHADLO CCn1c[nH+]c2c1CCN(c1nc(-c3ccc(F)cc3)cs1)C2 ZINC000896659974 1025798344 /nfs/dbraw/zinc/79/83/44/1025798344.db2.gz PUPRHSYPQMPEFM-UHFFFAOYSA-N 1 2 328.416 3.728 20 0 EHADLO COc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1Cl ZINC000051584295 1025810766 /nfs/dbraw/zinc/81/07/66/1025810766.db2.gz MEUOAEDDOKKTPV-UHFFFAOYSA-N 1 2 349.818 3.691 20 0 EHADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000657391655 1025848510 /nfs/dbraw/zinc/84/85/10/1025848510.db2.gz VXBJDODIKUMPKX-UHFFFAOYSA-N 1 2 327.325 3.534 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000451371800 1025898606 /nfs/dbraw/zinc/89/86/06/1025898606.db2.gz FLVZFTXDEYXTGN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)c(Cl)c1 ZINC000451371800 1025898625 /nfs/dbraw/zinc/89/86/25/1025898625.db2.gz FLVZFTXDEYXTGN-AWEZNQCLSA-N 1 2 331.847 3.811 20 0 EHADLO CN(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)OC(C)(C)C ZINC001140559536 1025913885 /nfs/dbraw/zinc/91/38/85/1025913885.db2.gz IXUZPLQXDXZWFB-UHFFFAOYSA-N 1 2 330.831 3.778 20 0 EHADLO CN(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)OC(C)(C)C ZINC001140559536 1025913898 /nfs/dbraw/zinc/91/38/98/1025913898.db2.gz IXUZPLQXDXZWFB-UHFFFAOYSA-N 1 2 330.831 3.778 20 0 EHADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000191169719 1025967579 /nfs/dbraw/zinc/96/75/79/1025967579.db2.gz ZTSHGQJFYQMJCR-UHFFFAOYSA-N 1 2 329.831 3.574 20 0 EHADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000516104437 1025984343 /nfs/dbraw/zinc/98/43/43/1025984343.db2.gz JDVKJOXRLATFMA-GOSISDBHSA-N 1 2 331.847 3.664 20 0 EHADLO Cc1ccccc1Cc1nc(C[NH+]2CCC(C)(C3CC3)CC2)no1 ZINC000516119504 1026008265 /nfs/dbraw/zinc/00/82/65/1026008265.db2.gz SSHRPBDYUXJGCP-UHFFFAOYSA-N 1 2 325.456 3.981 20 0 EHADLO Cc1[nH]c(CNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000896919064 1026025951 /nfs/dbraw/zinc/02/59/51/1026025951.db2.gz KOVSDTUZVVANSG-SNVBAGLBSA-N 1 2 339.361 3.540 20 0 EHADLO Cc1[nH+]ccn1CCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436679989 1026030350 /nfs/dbraw/zinc/03/03/50/1026030350.db2.gz HTVQEFIMCUAKSS-UHFFFAOYSA-N 1 2 343.814 3.524 20 0 EHADLO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920254 1026049748 /nfs/dbraw/zinc/04/97/48/1026049748.db2.gz KYLRVSQDOKTFCL-INIZCTEOSA-N 1 2 329.444 3.624 20 0 EHADLO Cc1[nH]c(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)[nH+]c1C ZINC000896923814 1026068724 /nfs/dbraw/zinc/06/87/24/1026068724.db2.gz QGVHGJQVDRDXSX-UHFFFAOYSA-N 1 2 340.254 3.972 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000934417209 1026070637 /nfs/dbraw/zinc/07/06/37/1026070637.db2.gz QXKXVDWGZOBCGA-CYBMUJFWSA-N 1 2 339.395 3.649 20 0 EHADLO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)o1 ZINC000934417209 1026070650 /nfs/dbraw/zinc/07/06/50/1026070650.db2.gz QXKXVDWGZOBCGA-CYBMUJFWSA-N 1 2 339.395 3.649 20 0 EHADLO Cc1[nH]c(CNC(=O)CCc2ccc(-c3ccccc3F)o2)[nH+]c1C ZINC000896927495 1026070753 /nfs/dbraw/zinc/07/07/53/1026070753.db2.gz INFDSMPBAUFMTC-UHFFFAOYSA-N 1 2 341.386 3.675 20 0 EHADLO CSCC1(Cc2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC000896820458 1026080768 /nfs/dbraw/zinc/08/07/68/1026080768.db2.gz GUZVTBCKMHUFIV-UHFFFAOYSA-N 1 2 340.452 3.532 20 0 EHADLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561682 1026085753 /nfs/dbraw/zinc/08/57/53/1026085753.db2.gz ILVZDEGPODLTNL-XJKSGUPXSA-N 1 2 338.879 3.722 20 0 EHADLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1(C)C ZINC000451561682 1026085769 /nfs/dbraw/zinc/08/57/69/1026085769.db2.gz ILVZDEGPODLTNL-XJKSGUPXSA-N 1 2 338.879 3.722 20 0 EHADLO C[C@@H](c1ccccc1F)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000342525159 1026089054 /nfs/dbraw/zinc/08/90/54/1026089054.db2.gz WVFPOHFJSKJMJX-HNNXBMFYSA-N 1 2 338.430 3.581 20 0 EHADLO CCCCSCCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896824323 1026096282 /nfs/dbraw/zinc/09/62/82/1026096282.db2.gz SRMFVOMKJCOIKL-UHFFFAOYSA-N 1 2 342.468 3.922 20 0 EHADLO CCO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000451549081 1026098743 /nfs/dbraw/zinc/09/87/43/1026098743.db2.gz VWJNQEBZQXCMJH-IAQYHMDHSA-N 1 2 342.270 3.888 20 0 EHADLO CCO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000451549081 1026098756 /nfs/dbraw/zinc/09/87/56/1026098756.db2.gz VWJNQEBZQXCMJH-IAQYHMDHSA-N 1 2 342.270 3.888 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516192594 1026101570 /nfs/dbraw/zinc/10/15/70/1026101570.db2.gz FURXIVSANZQBER-RHSMWYFYSA-N 1 2 329.444 3.501 20 0 EHADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516192594 1026101579 /nfs/dbraw/zinc/10/15/79/1026101579.db2.gz FURXIVSANZQBER-RHSMWYFYSA-N 1 2 329.444 3.501 20 0 EHADLO FC(F)(F)CCCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822303 1026107080 /nfs/dbraw/zinc/10/70/80/1026107080.db2.gz BBAABEGPVLLZOX-UHFFFAOYSA-N 1 2 336.317 3.731 20 0 EHADLO O=C(Nc1c(F)cccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000516196788 1026108017 /nfs/dbraw/zinc/10/80/17/1026108017.db2.gz KFLMEZHJGRTXBB-UHFFFAOYSA-N 1 2 348.809 3.665 20 0 EHADLO CO[C@@](C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000192186890 1026117123 /nfs/dbraw/zinc/11/71/23/1026117123.db2.gz JMSSLYWGBRAOJY-LJQANCHMSA-N 1 2 339.370 3.512 20 0 EHADLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC000516218080 1026124867 /nfs/dbraw/zinc/12/48/67/1026124867.db2.gz ZUHNTYWXSVGZBY-VIFPVBQESA-N 1 2 337.197 3.909 20 0 EHADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC000516218080 1026124881 /nfs/dbraw/zinc/12/48/81/1026124881.db2.gz ZUHNTYWXSVGZBY-VIFPVBQESA-N 1 2 337.197 3.909 20 0 EHADLO CC(C)CC[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042998764 1026128776 /nfs/dbraw/zinc/12/87/76/1026128776.db2.gz NXKXAEOPKXGFFA-MRXNPFEDSA-N 1 2 328.460 3.555 20 0 EHADLO CCCc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cnn1-c1ccccc1 ZINC000684854645 1026129441 /nfs/dbraw/zinc/12/94/41/1026129441.db2.gz WRKKBRYDTMIXKQ-UHFFFAOYSA-N 1 2 345.406 3.725 20 0 EHADLO CCCn1c(C)cc(C(=O)COc2ccccc2-n2cc[nH+]c2)c1C ZINC000530634275 1026141635 /nfs/dbraw/zinc/14/16/35/1026141635.db2.gz PHWKOPYHLKXHNH-UHFFFAOYSA-N 1 2 337.423 3.962 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000516216327 1026146535 /nfs/dbraw/zinc/14/65/35/1026146535.db2.gz FQSHSIUQNBRDOS-RHSMWYFYSA-N 1 2 342.439 3.785 20 0 EHADLO CCOC(=O)c1c(C)onc1C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000516216327 1026146543 /nfs/dbraw/zinc/14/65/43/1026146543.db2.gz FQSHSIUQNBRDOS-RHSMWYFYSA-N 1 2 342.439 3.785 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)NCC1(c2ccccc2)CCCC1 ZINC000475135459 1026225576 /nfs/dbraw/zinc/22/55/76/1026225576.db2.gz FDQRXPFZIKWCQD-UHFFFAOYSA-N 1 2 348.450 3.646 20 0 EHADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000475146424 1026240342 /nfs/dbraw/zinc/24/03/42/1026240342.db2.gz OFXBZVKOERVNIV-HNAYVOBHSA-N 1 2 329.415 3.521 20 0 EHADLO Cc1noc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000122182881 1026262770 /nfs/dbraw/zinc/26/27/70/1026262770.db2.gz MFWFJYSFXOWRAJ-QGZVFWFLSA-N 1 2 329.350 3.730 20 0 EHADLO C[C@H]1C[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000582447584 1026279343 /nfs/dbraw/zinc/27/93/43/1026279343.db2.gz UCPUPJJNSZPPCE-GJZGRUSLSA-N 1 2 339.439 3.640 20 0 EHADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000475189206 1026313509 /nfs/dbraw/zinc/31/35/09/1026313509.db2.gz HXLOBTGVUFMRCA-ICSRJNTNSA-N 1 2 343.515 3.589 20 0 EHADLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934475368 1026313927 /nfs/dbraw/zinc/31/39/27/1026313927.db2.gz LALCYRGOMZVGOI-OAQYLSRUSA-N 1 2 349.434 3.891 20 0 EHADLO C[C@]1(C2CC2)COCC[N@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934475368 1026313943 /nfs/dbraw/zinc/31/39/43/1026313943.db2.gz LALCYRGOMZVGOI-OAQYLSRUSA-N 1 2 349.434 3.891 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451876894 1026347545 /nfs/dbraw/zinc/34/75/45/1026347545.db2.gz GTJWVIYGROSHBV-IBGZPJMESA-N 1 2 348.450 3.650 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451876894 1026347559 /nfs/dbraw/zinc/34/75/59/1026347559.db2.gz GTJWVIYGROSHBV-IBGZPJMESA-N 1 2 348.450 3.650 20 0 EHADLO O[C@H]([C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899697 1026369331 /nfs/dbraw/zinc/36/93/31/1026369331.db2.gz ZCRQNTHISVPZRI-SWLSCSKDSA-N 1 2 348.434 3.936 20 0 EHADLO O[C@H]([C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1)C(F)(F)F ZINC000451899697 1026369342 /nfs/dbraw/zinc/36/93/42/1026369342.db2.gz ZCRQNTHISVPZRI-SWLSCSKDSA-N 1 2 348.434 3.936 20 0 EHADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000451899487 1026369629 /nfs/dbraw/zinc/36/96/29/1026369629.db2.gz XCFMESWAXJCRQI-CABCVRRESA-N 1 2 339.443 3.982 20 0 EHADLO CC(C)c1nnc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)o1 ZINC000451956053 1026414563 /nfs/dbraw/zinc/41/45/63/1026414563.db2.gz CCYCARYYTGNKLO-UHFFFAOYSA-N 1 2 335.398 3.926 20 0 EHADLO CCc1noc(C)c1C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451977712 1026418078 /nfs/dbraw/zinc/41/80/78/1026418078.db2.gz OPXJWMBVSIAYDT-UHFFFAOYSA-N 1 2 340.826 3.987 20 0 EHADLO CCc1noc(C)c1C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451977712 1026418083 /nfs/dbraw/zinc/41/80/83/1026418083.db2.gz OPXJWMBVSIAYDT-UHFFFAOYSA-N 1 2 340.826 3.987 20 0 EHADLO Cc1c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cnn1CC(C)C ZINC000347315143 1026433526 /nfs/dbraw/zinc/43/35/26/1026433526.db2.gz JVDHHFYIVQIQHA-KRWDZBQOSA-N 1 2 348.878 3.742 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)[nH+]c12 ZINC000530959140 1026434706 /nfs/dbraw/zinc/43/47/06/1026434706.db2.gz VNWGCMUWWMWHDG-QFBILLFUSA-N 1 2 333.435 3.590 20 0 EHADLO C[C@@H]1CC[C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000475293705 1026436841 /nfs/dbraw/zinc/43/68/41/1026436841.db2.gz AYSSKTGENLMPSA-SJLPKXTDSA-N 1 2 332.492 3.521 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652292 1026445192 /nfs/dbraw/zinc/44/51/92/1026445192.db2.gz CZGWXSGQMXFJDN-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(F)(F)F ZINC000277652292 1026445200 /nfs/dbraw/zinc/44/52/00/1026445200.db2.gz CZGWXSGQMXFJDN-MFKMUULPSA-N 1 2 346.374 3.538 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024887761 1026511851 /nfs/dbraw/zinc/51/18/51/1026511851.db2.gz LZWKIHQANRZCCL-CYBMUJFWSA-N 1 2 345.468 3.636 20 0 EHADLO COc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024887761 1026511857 /nfs/dbraw/zinc/51/18/57/1026511857.db2.gz LZWKIHQANRZCCL-CYBMUJFWSA-N 1 2 345.468 3.636 20 0 EHADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C ZINC000475364193 1026517464 /nfs/dbraw/zinc/51/74/64/1026517464.db2.gz MVPOKWWLLBZDOU-YGRLFVJLSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C ZINC000475364193 1026517469 /nfs/dbraw/zinc/51/74/69/1026517469.db2.gz MVPOKWWLLBZDOU-YGRLFVJLSA-N 1 2 349.780 3.990 20 0 EHADLO C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1nc(C(F)(F)F)cs1 ZINC000657451538 1026517881 /nfs/dbraw/zinc/51/78/81/1026517881.db2.gz AWPPLKDNRBUCGH-SECBINFHSA-N 1 2 330.379 3.619 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C(C)(C)CC ZINC000684909546 1026552134 /nfs/dbraw/zinc/55/21/34/1026552134.db2.gz JSZYKIGAPIURCX-UHFFFAOYSA-N 1 2 346.519 3.860 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](c3ccccc3)C1)C2 ZINC000475393636 1026557713 /nfs/dbraw/zinc/55/77/13/1026557713.db2.gz QHBBVQXOZFVBKO-IRXDYDNUSA-N 1 2 337.467 3.654 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](c3ccccc3)C1)CC2 ZINC000475393636 1026557721 /nfs/dbraw/zinc/55/77/21/1026557721.db2.gz QHBBVQXOZFVBKO-IRXDYDNUSA-N 1 2 337.467 3.654 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c(F)c1 ZINC000167915620 1026566172 /nfs/dbraw/zinc/56/61/72/1026566172.db2.gz QLDUYAYOKCVPBM-BLLLJJGKSA-N 1 2 332.423 3.735 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c(F)c1 ZINC000167915499 1026573328 /nfs/dbraw/zinc/57/33/28/1026573328.db2.gz QLDUYAYOKCVPBM-LRDDRELGSA-N 1 2 332.423 3.735 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697623 1026600552 /nfs/dbraw/zinc/60/05/52/1026600552.db2.gz REXURAPHAZETOZ-UPCLLVRISA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)ccc1Oc1cccnc1 ZINC000277697623 1026600558 /nfs/dbraw/zinc/60/05/58/1026600558.db2.gz REXURAPHAZETOZ-UPCLLVRISA-N 1 2 344.480 3.525 20 0 EHADLO Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ncc(Br)cn3)cc21 ZINC000657473887 1026634710 /nfs/dbraw/zinc/63/47/10/1026634710.db2.gz TXEBSYNNRWKUIL-NSHDSACASA-N 1 2 345.244 3.880 20 0 EHADLO CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716490 1026657288 /nfs/dbraw/zinc/65/72/88/1026657288.db2.gz UIIYCJNFYYYSGC-QFBILLFUSA-N 1 2 336.907 3.880 20 0 EHADLO COc1cc(C)c(CN(C)c2cc(C)[nH+]c(C(C)C)n2)cc1OC ZINC000301060848 1026670746 /nfs/dbraw/zinc/67/07/46/1026670746.db2.gz LUFLZGZMEKPTFR-UHFFFAOYSA-N 1 2 329.444 3.870 20 0 EHADLO CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)O1 ZINC000277721644 1026681747 /nfs/dbraw/zinc/68/17/47/1026681747.db2.gz OLZKYDLNXTVXMH-MSOLQXFVSA-N 1 2 339.439 3.783 20 0 EHADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1Cl ZINC000531201514 1026683973 /nfs/dbraw/zinc/68/39/73/1026683973.db2.gz XOHKGUPZKOLMCY-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1Cl ZINC000531201514 1026683978 /nfs/dbraw/zinc/68/39/78/1026683978.db2.gz XOHKGUPZKOLMCY-QGZVFWFLSA-N 1 2 329.831 3.819 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201271 1026684612 /nfs/dbraw/zinc/68/46/12/1026684612.db2.gz HIVRQGWKQNETEQ-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201271 1026684623 /nfs/dbraw/zinc/68/46/23/1026684623.db2.gz HIVRQGWKQNETEQ-MRXNPFEDSA-N 1 2 345.830 3.519 20 0 EHADLO O=C(c1cc2cc(Cl)ccc2s1)N1CC[NH+](CCCF)CC1 ZINC000627963694 1026699297 /nfs/dbraw/zinc/69/92/97/1026699297.db2.gz NVIBWQHULBXYFZ-UHFFFAOYSA-N 1 2 340.851 3.672 20 0 EHADLO COc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000122772041 1026723610 /nfs/dbraw/zinc/72/36/10/1026723610.db2.gz DCVVZNLYKYSOIA-HNAYVOBHSA-N 1 2 349.434 3.768 20 0 EHADLO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301281337 1026748573 /nfs/dbraw/zinc/74/85/73/1026748573.db2.gz TYGYYMZEMPXMTE-AWEZNQCLSA-N 1 2 344.409 3.709 20 0 EHADLO Fc1cccc(F)c1C[N@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301281337 1026748585 /nfs/dbraw/zinc/74/85/85/1026748585.db2.gz TYGYYMZEMPXMTE-AWEZNQCLSA-N 1 2 344.409 3.709 20 0 EHADLO CN(Cc1nc2ccccc2s1)c1cc(NCC2CC2)[nH+]cn1 ZINC000301304462 1026757020 /nfs/dbraw/zinc/75/70/20/1026757020.db2.gz XIOMZRFHEMUPFS-UHFFFAOYSA-N 1 2 325.441 3.545 20 0 EHADLO CN(Cc1nc2ccccc2s1)c1cc(NCC2CC2)nc[nH+]1 ZINC000301304462 1026757032 /nfs/dbraw/zinc/75/70/32/1026757032.db2.gz XIOMZRFHEMUPFS-UHFFFAOYSA-N 1 2 325.441 3.545 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2c(c1)CCCC2 ZINC000452437361 1026758639 /nfs/dbraw/zinc/75/86/39/1026758639.db2.gz BEIFUVUTVWONOX-UHFFFAOYSA-N 1 2 345.446 3.991 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000342700826 1026761269 /nfs/dbraw/zinc/76/12/69/1026761269.db2.gz MMINTABPGICCCS-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000342700826 1026761279 /nfs/dbraw/zinc/76/12/79/1026761279.db2.gz MMINTABPGICCCS-UHFFFAOYSA-N 1 2 325.456 3.667 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2o1 ZINC000301453139 1026811233 /nfs/dbraw/zinc/81/12/33/1026811233.db2.gz RBSUFKTUMUJMTR-UHFFFAOYSA-N 1 2 336.439 3.966 20 0 EHADLO CC(C)c1noc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000301452852 1026811641 /nfs/dbraw/zinc/81/16/41/1026811641.db2.gz MAPQUBSDTOGFDT-CYBMUJFWSA-N 1 2 334.851 3.730 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000301479207 1026822064 /nfs/dbraw/zinc/82/20/64/1026822064.db2.gz VKXQRLHXGAXVBB-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO CO[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000301479207 1026822072 /nfs/dbraw/zinc/82/20/72/1026822072.db2.gz VKXQRLHXGAXVBB-INIZCTEOSA-N 1 2 346.862 3.920 20 0 EHADLO C[N@H+](Cc1cc(Br)ccc1Cl)Cc1ncccc1O ZINC000582632956 1026829676 /nfs/dbraw/zinc/82/96/76/1026829676.db2.gz GMZHDAPOXFNKIK-UHFFFAOYSA-N 1 2 341.636 3.835 20 0 EHADLO C[N@@H+](Cc1cc(Br)ccc1Cl)Cc1ncccc1O ZINC000582632956 1026829685 /nfs/dbraw/zinc/82/96/85/1026829685.db2.gz GMZHDAPOXFNKIK-UHFFFAOYSA-N 1 2 341.636 3.835 20 0 EHADLO COc1ccc(OC)c([C@@H](O)CNc2[nH+]c3ccccc3cc2C)c1 ZINC000301574893 1026859877 /nfs/dbraw/zinc/85/98/77/1026859877.db2.gz PVCJLXFYESTYJD-SFHVURJKSA-N 1 2 338.407 3.706 20 0 EHADLO CC(C)c1nsc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000301579190 1026860128 /nfs/dbraw/zinc/86/01/28/1026860128.db2.gz UGHJDPXNTZZOFB-UHFFFAOYSA-N 1 2 345.516 3.808 20 0 EHADLO C[NH+](C)[C@H](CNc1c(F)c(F)nc(F)c1F)c1c(F)cccc1F ZINC000301597960 1026866492 /nfs/dbraw/zinc/86/64/92/1026866492.db2.gz HBEMQBPAARCUAL-SECBINFHSA-N 1 2 349.278 3.631 20 0 EHADLO Cc1cc(Br)cnc1NCCCCNc1cccc[nH+]1 ZINC000301630649 1026880454 /nfs/dbraw/zinc/88/04/54/1026880454.db2.gz SRGDQMHWPDGDQJ-UHFFFAOYSA-N 1 2 335.249 3.852 20 0 EHADLO COc1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)c2ccccc21 ZINC000639643367 1026883809 /nfs/dbraw/zinc/88/38/09/1026883809.db2.gz BUDGFIORZDPEMQ-QGZVFWFLSA-N 1 2 338.411 3.662 20 0 EHADLO COc1ncc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)c2ccccc21 ZINC000639643367 1026883816 /nfs/dbraw/zinc/88/38/16/1026883816.db2.gz BUDGFIORZDPEMQ-QGZVFWFLSA-N 1 2 338.411 3.662 20 0 EHADLO Cc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000301676995 1026897568 /nfs/dbraw/zinc/89/75/68/1026897568.db2.gz CUMJOQBDTKRPNZ-UHFFFAOYSA-N 1 2 335.373 3.731 20 0 EHADLO Cc1cccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)ncnc12 ZINC000301700348 1026906872 /nfs/dbraw/zinc/90/68/72/1026906872.db2.gz PLWQKDGRRNNDOU-UHFFFAOYSA-N 1 2 329.407 3.795 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)sc2nccc(C)c12 ZINC000531435435 1026911200 /nfs/dbraw/zinc/91/12/00/1026911200.db2.gz MBRVSRASZREGCI-UHFFFAOYSA-N 1 2 340.452 3.656 20 0 EHADLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)sc2nccc(C)c12 ZINC000531435435 1026911209 /nfs/dbraw/zinc/91/12/09/1026911209.db2.gz MBRVSRASZREGCI-UHFFFAOYSA-N 1 2 340.452 3.656 20 0 EHADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301739870 1026921137 /nfs/dbraw/zinc/92/11/37/1026921137.db2.gz UAHSBNPPDOGTGJ-LBPRGKRZSA-N 1 2 348.903 3.952 20 0 EHADLO c1nnc(C[NH+]2CCC(OC3CCCCC3)CC2)n1-c1ccccc1 ZINC000277787431 1026938073 /nfs/dbraw/zinc/93/80/73/1026938073.db2.gz SIGWNQUSXSSMAM-UHFFFAOYSA-N 1 2 340.471 3.581 20 0 EHADLO CN(C)c1cccc([C@H]2CCCN2c2nc(N)c3ccccc3[nH+]2)c1 ZINC000301835080 1026957493 /nfs/dbraw/zinc/95/74/93/1026957493.db2.gz WDOPQTOHRHKDSF-GOSISDBHSA-N 1 2 333.439 3.620 20 0 EHADLO CC1(C)CN(C(=O)NCCCCn2cc[nH+]c2)c2cccc(Cl)c21 ZINC000531469797 1026959173 /nfs/dbraw/zinc/95/91/73/1026959173.db2.gz GDRFMINDTZDGNF-UHFFFAOYSA-N 1 2 346.862 3.824 20 0 EHADLO CC(C)c1cc(NCc2ccnc(-n3cccn3)c2)nc(C(C)C)[nH+]1 ZINC000301838650 1026959422 /nfs/dbraw/zinc/95/94/22/1026959422.db2.gz ZCEPRWJLVQZXNM-UHFFFAOYSA-N 1 2 336.443 3.916 20 0 EHADLO CC[C@H](C)CCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000666003644 1026959812 /nfs/dbraw/zinc/95/98/12/1026959812.db2.gz JTBAMYDUTFBORK-JKSUJKDBSA-N 1 2 333.476 3.638 20 0 EHADLO Nc1nc(N[C@H](c2cccc(F)c2)c2ccccn2)[nH+]c2ccccc12 ZINC000301884476 1026977687 /nfs/dbraw/zinc/97/76/87/1026977687.db2.gz LOCFJQYIBFNKTH-GOSISDBHSA-N 1 2 345.381 3.948 20 0 EHADLO Cc1cc(F)ccc1CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301886150 1026979316 /nfs/dbraw/zinc/97/93/16/1026979316.db2.gz MFPNJXBCBZDTLS-UHFFFAOYSA-N 1 2 327.407 3.683 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000301898226 1026985702 /nfs/dbraw/zinc/98/57/02/1026985702.db2.gz RWDXBTRTOXAVEQ-HZMBPMFUSA-N 1 2 343.381 3.828 20 0 EHADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000301926875 1026997422 /nfs/dbraw/zinc/99/74/22/1026997422.db2.gz MZTAMXRRLZMJJN-UXLLHSPISA-N 1 2 333.439 3.579 20 0 EHADLO C[N@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccc2c(c1)OCCO2 ZINC000531525559 1027006574 /nfs/dbraw/zinc/00/65/74/1027006574.db2.gz KMNHEEYXIBDGFL-UHFFFAOYSA-N 1 2 332.469 3.844 20 0 EHADLO C[N@@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccc2c(c1)OCCO2 ZINC000531525559 1027006581 /nfs/dbraw/zinc/00/65/81/1027006581.db2.gz KMNHEEYXIBDGFL-UHFFFAOYSA-N 1 2 332.469 3.844 20 0 EHADLO Cc1cc2[nH]c(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c(C)c1 ZINC000123195655 1027012238 /nfs/dbraw/zinc/01/22/38/1027012238.db2.gz ZAADAQIGVNFHCA-LIRRHRJNSA-N 1 2 336.439 3.705 20 0 EHADLO CCc1cc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000302038830 1027031835 /nfs/dbraw/zinc/03/18/35/1027031835.db2.gz GYISSBDNIVGVPS-CYBMUJFWSA-N 1 2 346.425 3.509 20 0 EHADLO Cc1nc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c2c([nH+]1)CCCC2 ZINC000302109609 1027057358 /nfs/dbraw/zinc/05/73/58/1027057358.db2.gz SZKUPSATDVUYCF-WMLDXEAASA-N 1 2 343.496 3.818 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000302117649 1027058963 /nfs/dbraw/zinc/05/89/63/1027058963.db2.gz SESJREOUPRFRHJ-PXNSSMCTSA-N 1 2 340.471 3.637 20 0 EHADLO CC(C)[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000302117649 1027058971 /nfs/dbraw/zinc/05/89/71/1027058971.db2.gz SESJREOUPRFRHJ-PXNSSMCTSA-N 1 2 340.471 3.637 20 0 EHADLO CN(C)c1ccc([NH+]2CCC(Nc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000302123100 1027059557 /nfs/dbraw/zinc/05/95/57/1027059557.db2.gz HCKJMKOJQSQUJO-UHFFFAOYSA-N 1 2 343.475 3.514 20 0 EHADLO Cc1c[nH+]c(CN(CCc2ccccn2)Cc2ccc(F)cc2)n1C ZINC000342790406 1027079227 /nfs/dbraw/zinc/07/92/27/1027079227.db2.gz ZPUILVRPGSJOCB-UHFFFAOYSA-N 1 2 338.430 3.508 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1C ZINC000272734738 1027091951 /nfs/dbraw/zinc/09/19/51/1027091951.db2.gz LXVGLLICWINXLG-WMZOPIPTSA-N 1 2 348.487 3.507 20 0 EHADLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000125641954 1027104639 /nfs/dbraw/zinc/10/46/39/1027104639.db2.gz MKZUQABEWSBPHW-ZOBUZTSGSA-N 1 2 337.423 3.843 20 0 EHADLO CS[C@@H]1CC[C@H](Nc2cc(N[C@H]3CC[C@@H](SC)C3)[nH+]cn2)C1 ZINC000302258011 1027113002 /nfs/dbraw/zinc/11/30/02/1027113002.db2.gz BHXKUEKAXYBMQU-IGQOVBAYSA-N 1 2 338.546 3.869 20 0 EHADLO CC[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccc(OC)cc1OC ZINC000342798727 1027137955 /nfs/dbraw/zinc/13/79/55/1027137955.db2.gz KVVABVOFBZVYDL-UHFFFAOYSA-N 1 2 343.471 3.813 20 0 EHADLO CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccc(OC)cc1OC ZINC000342798727 1027137967 /nfs/dbraw/zinc/13/79/67/1027137967.db2.gz KVVABVOFBZVYDL-UHFFFAOYSA-N 1 2 343.471 3.813 20 0 EHADLO Cc1nc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c2c([nH+]1)CCCC2 ZINC000272840313 1027140415 /nfs/dbraw/zinc/14/04/15/1027140415.db2.gz IPNGVOJPTKIYJF-GFCCVEGCSA-N 1 2 336.439 3.722 20 0 EHADLO COc1cccc2c(NCc3ccc(N4CCOC4=O)cc3)cc[nH+]c12 ZINC000302505182 1027172766 /nfs/dbraw/zinc/17/27/66/1027172766.db2.gz DPUFXERCXKKBPZ-UHFFFAOYSA-N 1 2 349.390 3.812 20 0 EHADLO Cc1ncoc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000894245581 1027179200 /nfs/dbraw/zinc/17/92/00/1027179200.db2.gz VZVRIPALXJCPTI-UHFFFAOYSA-N 1 2 347.159 3.637 20 0 EHADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c(C)[nH+]1 ZINC000123354915 1027185515 /nfs/dbraw/zinc/18/55/15/1027185515.db2.gz GMLIDGILOVVPAP-APPDUMDISA-N 1 2 337.423 3.854 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075891063 1027204310 /nfs/dbraw/zinc/20/43/10/1027204310.db2.gz ZLDWFRUEBNNMKJ-AXFHLTTASA-N 1 2 330.856 3.632 20 0 EHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075891063 1027204315 /nfs/dbraw/zinc/20/43/15/1027204315.db2.gz ZLDWFRUEBNNMKJ-AXFHLTTASA-N 1 2 330.856 3.632 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)s1 ZINC000076073123 1027234287 /nfs/dbraw/zinc/23/42/87/1027234287.db2.gz UTMQDQGELVQTGT-GHMZBOCLSA-N 1 2 338.864 3.775 20 0 EHADLO COc1cccc2c(N[C@@H](C)C(=O)NCc3ccccc3)c(C)c[nH+]c12 ZINC000302683744 1027238037 /nfs/dbraw/zinc/23/80/37/1027238037.db2.gz XQYYYFZUHRRJQN-HNNXBMFYSA-N 1 2 349.434 3.669 20 0 EHADLO COc1cccc2c(N[C@H](C)C(=O)NCc3ccccc3)c(C)c[nH+]c12 ZINC000302683746 1027238702 /nfs/dbraw/zinc/23/87/02/1027238702.db2.gz XQYYYFZUHRRJQN-OAHLLOKOSA-N 1 2 349.434 3.669 20 0 EHADLO Brc1cncc(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000302708950 1027248880 /nfs/dbraw/zinc/24/88/80/1027248880.db2.gz YYZJKSXKOFXYNS-UHFFFAOYSA-N 1 2 329.201 3.642 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273058995 1027250859 /nfs/dbraw/zinc/25/08/59/1027250859.db2.gz KZPHFZYBKXYYRH-LBPRGKRZSA-N 1 2 333.461 3.598 20 0 EHADLO CC(C)Cn1ncnc1C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127016497 1027265384 /nfs/dbraw/zinc/26/53/84/1027265384.db2.gz SURIWNQLCUSBTA-GOSISDBHSA-N 1 2 341.503 3.865 20 0 EHADLO CC(C)Cn1ncnc1C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127016497 1027265398 /nfs/dbraw/zinc/26/53/98/1027265398.db2.gz SURIWNQLCUSBTA-GOSISDBHSA-N 1 2 341.503 3.865 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(F)C2)ccc1Br ZINC000501410108 1027266168 /nfs/dbraw/zinc/26/61/68/1027266168.db2.gz LVDYPLLKCGXDQE-NHYWBVRUSA-N 1 2 343.240 3.518 20 0 EHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(F)C2)ccc1Br ZINC000501410108 1027266177 /nfs/dbraw/zinc/26/61/77/1027266177.db2.gz LVDYPLLKCGXDQE-NHYWBVRUSA-N 1 2 343.240 3.518 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000127041936 1027267593 /nfs/dbraw/zinc/26/75/93/1027267593.db2.gz SMVJFWGIVMAQJP-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO CC(C)Oc1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000127041936 1027267605 /nfs/dbraw/zinc/26/76/05/1027267605.db2.gz SMVJFWGIVMAQJP-HXUWFJFHSA-N 1 2 327.424 3.753 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501433017 1027279095 /nfs/dbraw/zinc/27/90/95/1027279095.db2.gz FLYBGQONGOQLIS-IIBYNOLFSA-N 1 2 340.442 3.715 20 0 EHADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000501433017 1027279107 /nfs/dbraw/zinc/27/91/07/1027279107.db2.gz FLYBGQONGOQLIS-IIBYNOLFSA-N 1 2 340.442 3.715 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302807268 1027304722 /nfs/dbraw/zinc/30/47/22/1027304722.db2.gz XOOGHCMBQRWBTF-AWEZNQCLSA-N 1 2 338.411 3.541 20 0 EHADLO Cc1c2ccccc2oc1[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302807268 1027304740 /nfs/dbraw/zinc/30/47/40/1027304740.db2.gz XOOGHCMBQRWBTF-AWEZNQCLSA-N 1 2 338.411 3.541 20 0 EHADLO FC(F)(F)Cc1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000273195282 1027304894 /nfs/dbraw/zinc/30/48/94/1027304894.db2.gz OXYADTPLEZFQPN-ZDUSSCGKSA-N 1 2 325.334 3.902 20 0 EHADLO FC(F)(F)Cc1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000273195282 1027304912 /nfs/dbraw/zinc/30/49/12/1027304912.db2.gz OXYADTPLEZFQPN-ZDUSSCGKSA-N 1 2 325.334 3.902 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000123453192 1027313131 /nfs/dbraw/zinc/31/31/31/1027313131.db2.gz ZFSNFLCWLBXHIO-IEBWSBKVSA-N 1 2 347.422 3.637 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302874518 1027340554 /nfs/dbraw/zinc/34/05/54/1027340554.db2.gz DJKHYWZBERSOJO-SFHVURJKSA-N 1 2 340.471 3.821 20 0 EHADLO Cc1ccccc1[C@H](CC(C)C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302874518 1027340574 /nfs/dbraw/zinc/34/05/74/1027340574.db2.gz DJKHYWZBERSOJO-SFHVURJKSA-N 1 2 340.471 3.821 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000302899362 1027353768 /nfs/dbraw/zinc/35/37/68/1027353768.db2.gz QDKFZOFGEOTQHP-GOEBONIOSA-N 1 2 326.419 3.598 20 0 EHADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000302899362 1027353773 /nfs/dbraw/zinc/35/37/73/1027353773.db2.gz QDKFZOFGEOTQHP-GOEBONIOSA-N 1 2 326.419 3.598 20 0 EHADLO CSCc1cc(F)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302916193 1027360428 /nfs/dbraw/zinc/36/04/28/1027360428.db2.gz WAPULRFGQVFVBD-UHFFFAOYSA-N 1 2 332.448 3.691 20 0 EHADLO CSCc1cc(F)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302916193 1027360445 /nfs/dbraw/zinc/36/04/45/1027360445.db2.gz WAPULRFGQVFVBD-UHFFFAOYSA-N 1 2 332.448 3.691 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+](C)CCCOCc2ccccc2)n1 ZINC000273300791 1027364355 /nfs/dbraw/zinc/36/43/55/1027364355.db2.gz LROPQODLDGTKCB-OAHLLOKOSA-N 1 2 349.500 3.922 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCOCc2ccccc2)n1 ZINC000273300791 1027364373 /nfs/dbraw/zinc/36/43/73/1027364373.db2.gz LROPQODLDGTKCB-OAHLLOKOSA-N 1 2 349.500 3.922 20 0 EHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NCCCC2CCCCC2)on1 ZINC000076994143 1027372549 /nfs/dbraw/zinc/37/25/49/1027372549.db2.gz CUNPVLLFKDAXBA-KRWDZBQOSA-N 1 2 333.476 3.597 20 0 EHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NCCCC2CCCCC2)on1 ZINC000076994143 1027372563 /nfs/dbraw/zinc/37/25/63/1027372563.db2.gz CUNPVLLFKDAXBA-KRWDZBQOSA-N 1 2 333.476 3.597 20 0 EHADLO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000531834761 1027495971 /nfs/dbraw/zinc/49/59/71/1027495971.db2.gz RRBJJTPLFDGJIU-AWEZNQCLSA-N 1 2 330.241 3.835 20 0 EHADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000531834761 1027495984 /nfs/dbraw/zinc/49/59/84/1027495984.db2.gz RRBJJTPLFDGJIU-AWEZNQCLSA-N 1 2 330.241 3.835 20 0 EHADLO Nc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000420376330 1027497378 /nfs/dbraw/zinc/49/73/78/1027497378.db2.gz QLDWNEANRZOHRG-QGZVFWFLSA-N 1 2 336.357 3.861 20 0 EHADLO Nc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000420376330 1027497391 /nfs/dbraw/zinc/49/73/91/1027497391.db2.gz QLDWNEANRZOHRG-QGZVFWFLSA-N 1 2 336.357 3.861 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccccc2OC(F)F)c[nH+]1 ZINC000454229722 1027497972 /nfs/dbraw/zinc/49/79/72/1027497972.db2.gz QDGLJIKOXVKBML-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975186 1027505316 /nfs/dbraw/zinc/50/53/16/1027505316.db2.gz HMVRNRGORFAMDM-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975186 1027505324 /nfs/dbraw/zinc/50/53/24/1027505324.db2.gz HMVRNRGORFAMDM-KRWDZBQOSA-N 1 2 329.831 3.647 20 0 EHADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)s1 ZINC000273659256 1027543052 /nfs/dbraw/zinc/54/30/52/1027543052.db2.gz XQZQBIFJCCSODI-CYBMUJFWSA-N 1 2 340.452 3.671 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCCc2sccc21 ZINC000129320814 1027544729 /nfs/dbraw/zinc/54/47/29/1027544729.db2.gz XUEYKYVNSSBVQA-OAHLLOKOSA-N 1 2 329.469 3.572 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1OC ZINC000025381143 1027557937 /nfs/dbraw/zinc/55/79/37/1027557937.db2.gz PKXYDZJBEDVTAN-INIZCTEOSA-N 1 2 345.443 3.621 20 0 EHADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1OC ZINC000025381143 1027557945 /nfs/dbraw/zinc/55/79/45/1027557945.db2.gz PKXYDZJBEDVTAN-INIZCTEOSA-N 1 2 345.443 3.621 20 0 EHADLO CC(C)(C)c1ncc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)s1 ZINC000129484429 1027559203 /nfs/dbraw/zinc/55/92/03/1027559203.db2.gz TXGQDFNOXLPIAQ-UHFFFAOYSA-N 1 2 335.439 3.511 20 0 EHADLO CC(C)(C)c1ncc(C[N@H+]2CCCN(CC(F)(F)F)CC2)s1 ZINC000129484429 1027559214 /nfs/dbraw/zinc/55/92/14/1027559214.db2.gz TXGQDFNOXLPIAQ-UHFFFAOYSA-N 1 2 335.439 3.511 20 0 EHADLO CCC[N@H+](Cc1cnc(C2CC2)nc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000459319241 1027560318 /nfs/dbraw/zinc/56/03/18/1027560318.db2.gz DAIJPMGYXGYQFX-OAHLLOKOSA-N 1 2 338.455 3.593 20 0 EHADLO CCC[N@@H+](Cc1cnc(C2CC2)nc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000459319241 1027560330 /nfs/dbraw/zinc/56/03/30/1027560330.db2.gz DAIJPMGYXGYQFX-OAHLLOKOSA-N 1 2 338.455 3.593 20 0 EHADLO Cc1c[nH+]c(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)n1C ZINC000342849479 1027624921 /nfs/dbraw/zinc/62/49/21/1027624921.db2.gz SXGWRWBNAKNKNH-UHFFFAOYSA-N 1 2 346.434 3.544 20 0 EHADLO CC[C@@H]1Cc2c(Br)cccc2CN1Cc1[nH+]cc(C)n1C ZINC000342847657 1027632139 /nfs/dbraw/zinc/63/21/39/1027632139.db2.gz AWPGEZIYTOQQBC-CQSZACIVSA-N 1 2 348.288 3.828 20 0 EHADLO Cc1cc(F)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130256632 1027649761 /nfs/dbraw/zinc/64/97/61/1027649761.db2.gz RZUAFESZWMLPQH-AWEZNQCLSA-N 1 2 332.444 3.715 20 0 EHADLO OCC[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000420636470 1027674183 /nfs/dbraw/zinc/67/41/83/1027674183.db2.gz GOWSIHUPFFBQOF-CYBMUJFWSA-N 1 2 349.272 3.986 20 0 EHADLO CN(C)c1ccc2c(c1)Cc1cc(NCc3cc[nH+]c(N)c3)ccc1-2 ZINC001167616466 1027698720 /nfs/dbraw/zinc/69/87/20/1027698720.db2.gz IXUOPWSQFCUGES-UHFFFAOYSA-N 1 2 330.435 3.913 20 0 EHADLO COCc1cc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)no1 ZINC000459339422 1027724521 /nfs/dbraw/zinc/72/45/21/1027724521.db2.gz CZTJTLYIVHCJKV-OAQYLSRUSA-N 1 2 334.419 3.969 20 0 EHADLO COCc1cc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)no1 ZINC000459339422 1027724539 /nfs/dbraw/zinc/72/45/39/1027724539.db2.gz CZTJTLYIVHCJKV-OAQYLSRUSA-N 1 2 334.419 3.969 20 0 EHADLO Cc1cc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc(C)[nH+]1 ZINC000420837165 1027771002 /nfs/dbraw/zinc/77/10/02/1027771002.db2.gz BGHROZIGRQURIT-QGZVFWFLSA-N 1 2 325.412 3.728 20 0 EHADLO CC1(C)C[C@]1(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000665843970 1027792512 /nfs/dbraw/zinc/79/25/12/1027792512.db2.gz CRAXFDKPMXOSPB-JOCHJYFZSA-N 1 2 349.478 3.666 20 0 EHADLO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1cc(F)ccc1F ZINC000420852852 1027797253 /nfs/dbraw/zinc/79/72/53/1027797253.db2.gz SWRKJVPECWWJES-QGZVFWFLSA-N 1 2 333.382 3.927 20 0 EHADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(C)c1OC ZINC000582812240 1027810770 /nfs/dbraw/zinc/81/07/70/1027810770.db2.gz BYPHIDALFLKOKA-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(C)c1OC ZINC000582812240 1027810782 /nfs/dbraw/zinc/81/07/82/1027810782.db2.gz BYPHIDALFLKOKA-IBGZPJMESA-N 1 2 345.414 3.725 20 0 EHADLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131778246 1027818656 /nfs/dbraw/zinc/81/86/56/1027818656.db2.gz NQEHXCICPXBDSD-ICSRJNTNSA-N 1 2 347.418 3.522 20 0 EHADLO CCOc1cc(C[N@H+]2CC=C(C)CC2)cc(Br)c1O ZINC000459353485 1027852944 /nfs/dbraw/zinc/85/29/44/1027852944.db2.gz WPOKXFPZXOWIBR-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO CCOc1cc(C[N@@H+]2CC=C(C)CC2)cc(Br)c1O ZINC000459353485 1027852964 /nfs/dbraw/zinc/85/29/64/1027852964.db2.gz WPOKXFPZXOWIBR-UHFFFAOYSA-N 1 2 326.234 3.705 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2cnccc2N)cc1OC1CCCC1 ZINC000422710405 1027866783 /nfs/dbraw/zinc/86/67/83/1027866783.db2.gz LEAAHGDZUVUTDY-CQSZACIVSA-N 1 2 341.455 3.675 20 0 EHADLO CCc1c(C(=O)C[N@@H+]2CCC3(C2)CCCCC3)[nH]c(C)c1C(C)=O ZINC000533433213 1027871244 /nfs/dbraw/zinc/87/12/44/1027871244.db2.gz NZBYCPNKLWLWMJ-UHFFFAOYSA-N 1 2 330.472 3.927 20 0 EHADLO CCc1c(C(=O)C[N@H+]2CCC3(C2)CCCCC3)[nH]c(C)c1C(C)=O ZINC000533433213 1027871264 /nfs/dbraw/zinc/87/12/64/1027871264.db2.gz NZBYCPNKLWLWMJ-UHFFFAOYSA-N 1 2 330.472 3.927 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000420925352 1027871957 /nfs/dbraw/zinc/87/19/57/1027871957.db2.gz LJOYQXWXVPMGRP-TZMCWYRMSA-N 1 2 336.501 3.963 20 0 EHADLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1csc(C2CC2)n1 ZINC000420925352 1027871974 /nfs/dbraw/zinc/87/19/74/1027871974.db2.gz LJOYQXWXVPMGRP-TZMCWYRMSA-N 1 2 336.501 3.963 20 0 EHADLO CSc1ccc(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)cc1 ZINC000078493282 1027881263 /nfs/dbraw/zinc/88/12/63/1027881263.db2.gz SJVXCWYUPDYKMH-UHFFFAOYSA-N 1 2 344.465 3.757 20 0 EHADLO COc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)ccc1OC(C)C ZINC000420934585 1027884712 /nfs/dbraw/zinc/88/47/12/1027884712.db2.gz JGESGSDJTUHEIZ-LBPRGKRZSA-N 1 2 337.851 3.720 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)nc(N)c2c1C ZINC000420955823 1027920579 /nfs/dbraw/zinc/92/05/79/1027920579.db2.gz XDILPPVDVXGNIK-LLVKDONJSA-N 1 2 342.365 3.586 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)nc(N)c2c1C ZINC000420955823 1027920589 /nfs/dbraw/zinc/92/05/89/1027920589.db2.gz XDILPPVDVXGNIK-LLVKDONJSA-N 1 2 342.365 3.586 20 0 EHADLO Cc1cc(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)c[nH+]1 ZINC000536618246 1027936123 /nfs/dbraw/zinc/93/61/23/1027936123.db2.gz HKCZIRQWAABROW-OLZOCXBDSA-N 1 2 329.366 3.611 20 0 EHADLO CCCOc1cccc2c(NC3CCC(C(=O)NC)CC3)cc[nH+]c12 ZINC000503597849 1027942217 /nfs/dbraw/zinc/94/22/17/1027942217.db2.gz LLTCMYDHFRACGC-UHFFFAOYSA-N 1 2 341.455 3.740 20 0 EHADLO COc1cc(F)cc(OC)c1C[NH2+]Cc1cccc(Cl)c1OC ZINC000897480073 1027946140 /nfs/dbraw/zinc/94/61/40/1027946140.db2.gz PQEHFYPQYQANIS-UHFFFAOYSA-N 1 2 339.794 3.795 20 0 EHADLO CCCCOc1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1 ZINC001211901872 1027986953 /nfs/dbraw/zinc/98/69/53/1027986953.db2.gz OLGRBNDVWJVKNJ-UHFFFAOYSA-N 1 2 349.381 3.623 20 0 EHADLO O[C@@H]([C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934955 1028003596 /nfs/dbraw/zinc/00/35/96/1028003596.db2.gz YXCMGXCNXLVNCN-HZMBPMFUSA-N 1 2 346.374 3.538 20 0 EHADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)C(F)(F)F ZINC000277934955 1028003613 /nfs/dbraw/zinc/00/36/13/1028003613.db2.gz YXCMGXCNXLVNCN-HZMBPMFUSA-N 1 2 346.374 3.538 20 0 EHADLO Fc1cc2[nH+]ccc(N[C@H]3CCOC34CCOCC4)c2cc1Cl ZINC000897326503 1028017057 /nfs/dbraw/zinc/01/70/57/1028017057.db2.gz JFXSHXDNJBIJQZ-INIZCTEOSA-N 1 2 336.794 3.777 20 0 EHADLO COc1ccnc(C[NH2+][C@H](C)c2ccc(Br)s2)c1F ZINC000657673701 1028019862 /nfs/dbraw/zinc/01/98/62/1028019862.db2.gz MHBPISFSPLFIIF-MRVPVSSYSA-N 1 2 345.237 3.904 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628522 1028022139 /nfs/dbraw/zinc/02/21/39/1028022139.db2.gz DPOYCMRERMAKIQ-QWHCGFSZSA-N 1 2 335.883 3.706 20 0 EHADLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC001167628522 1028022156 /nfs/dbraw/zinc/02/21/56/1028022156.db2.gz DPOYCMRERMAKIQ-QWHCGFSZSA-N 1 2 335.883 3.706 20 0 EHADLO Cc1cc(CNC(=O)Nc2nc3c(s2)CCCCC3)cc(C)[nH+]1 ZINC000421053477 1028037031 /nfs/dbraw/zinc/03/70/31/1028037031.db2.gz CHCGEWCFRKRYMH-UHFFFAOYSA-N 1 2 330.457 3.746 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000533543148 1028054945 /nfs/dbraw/zinc/05/49/45/1028054945.db2.gz FVKKRFPDXPXAMZ-ZIFCJYIRSA-N 1 2 340.471 3.824 20 0 EHADLO Cc1cc(CNC(=O)Nc2cccc(COC(C)C)c2)cc(C)[nH+]1 ZINC000421076796 1028062641 /nfs/dbraw/zinc/06/26/41/1028062641.db2.gz DCJHHBOGWKZPGN-UHFFFAOYSA-N 1 2 327.428 3.945 20 0 EHADLO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000422997299 1028114786 /nfs/dbraw/zinc/11/47/86/1028114786.db2.gz UZXSROBCARILAW-KZULUSFZSA-N 1 2 348.393 3.629 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652002 1028114968 /nfs/dbraw/zinc/11/49/68/1028114968.db2.gz QSNWHGXHNJBAGT-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000444652002 1028114972 /nfs/dbraw/zinc/11/49/72/1028114972.db2.gz QSNWHGXHNJBAGT-HNAYVOBHSA-N 1 2 336.414 3.990 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000502335204 1028121152 /nfs/dbraw/zinc/12/11/52/1028121152.db2.gz AXICGGRVWJYUPT-OOXMNIKJSA-N 1 2 341.373 3.600 20 0 EHADLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCOC[C@]12CCOC2 ZINC000502335204 1028121159 /nfs/dbraw/zinc/12/11/59/1028121159.db2.gz AXICGGRVWJYUPT-OOXMNIKJSA-N 1 2 341.373 3.600 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000444691135 1028163341 /nfs/dbraw/zinc/16/33/41/1028163341.db2.gz CPKWHWALPAYUKI-CDHQVMDDSA-N 1 2 345.870 3.705 20 0 EHADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000444691135 1028163349 /nfs/dbraw/zinc/16/33/49/1028163349.db2.gz CPKWHWALPAYUKI-CDHQVMDDSA-N 1 2 345.870 3.705 20 0 EHADLO CC(C)c1nc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2s1 ZINC000423088165 1028175052 /nfs/dbraw/zinc/17/50/52/1028175052.db2.gz RCNAUBDZRDSOQJ-ZDUSSCGKSA-N 1 2 332.454 3.515 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708386 1028185455 /nfs/dbraw/zinc/18/54/55/1028185455.db2.gz QNKWJKSYOSEDEO-AWEZNQCLSA-N 1 2 336.426 3.792 20 0 EHADLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708386 1028185461 /nfs/dbraw/zinc/18/54/61/1028185461.db2.gz QNKWJKSYOSEDEO-AWEZNQCLSA-N 1 2 336.426 3.792 20 0 EHADLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152504644 1028189352 /nfs/dbraw/zinc/18/93/52/1028189352.db2.gz CFALUZQIHOXRPM-GDBMZVCRSA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152504644 1028189362 /nfs/dbraw/zinc/18/93/62/1028189362.db2.gz CFALUZQIHOXRPM-GDBMZVCRSA-N 1 2 326.843 3.777 20 0 EHADLO Cc1cc(C)c(NC(=O)NCc2ccc(OC(C)C)nc2)c(C)[nH+]1 ZINC000455464492 1028194303 /nfs/dbraw/zinc/19/43/03/1028194303.db2.gz DPBGCEZCSTWMPJ-UHFFFAOYSA-N 1 2 328.416 3.511 20 0 EHADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000444728910 1028219383 /nfs/dbraw/zinc/21/93/83/1028219383.db2.gz CPLGAJPQVGUUCJ-OAHLLOKOSA-N 1 2 326.415 3.544 20 0 EHADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000444728910 1028219395 /nfs/dbraw/zinc/21/93/95/1028219395.db2.gz CPLGAJPQVGUUCJ-OAHLLOKOSA-N 1 2 326.415 3.544 20 0 EHADLO COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455493828 1028225818 /nfs/dbraw/zinc/22/58/18/1028225818.db2.gz CYVYPJMDSGAUSP-INIZCTEOSA-N 1 2 343.402 3.964 20 0 EHADLO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423158986 1028231016 /nfs/dbraw/zinc/23/10/16/1028231016.db2.gz OLVLFTHFRMTLPD-IAQYHMDHSA-N 1 2 335.498 3.521 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)ccc2F)cc1 ZINC000444746889 1028233648 /nfs/dbraw/zinc/23/36/48/1028233648.db2.gz WYXNOOPYXLUWPC-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)ccc2F)cc1 ZINC000444746889 1028233664 /nfs/dbraw/zinc/23/36/64/1028233664.db2.gz WYXNOOPYXLUWPC-CQSZACIVSA-N 1 2 330.403 3.602 20 0 EHADLO Cc1cc(C)c(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c(C)[nH+]1 ZINC000455480581 1028243085 /nfs/dbraw/zinc/24/30/85/1028243085.db2.gz OGGWHCFRKBTRBL-UHFFFAOYSA-N 1 2 349.438 3.964 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000055052796 1028256847 /nfs/dbraw/zinc/25/68/47/1028256847.db2.gz NEVAKOULKPLWQU-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000055052796 1028256863 /nfs/dbraw/zinc/25/68/63/1028256863.db2.gz NEVAKOULKPLWQU-UHFFFAOYSA-N 1 2 342.317 3.557 20 0 EHADLO CCN(C(=O)C[N@H+](C)CCC(F)(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000353391325 1028257628 /nfs/dbraw/zinc/25/76/28/1028257628.db2.gz XICBZQBDELGEPH-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO CCN(C(=O)C[N@@H+](C)CCC(F)(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000353391325 1028257639 /nfs/dbraw/zinc/25/76/39/1028257639.db2.gz XICBZQBDELGEPH-LBPRGKRZSA-N 1 2 334.357 3.619 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CCc3ccc(F)c(F)c3C2)c(C)[nH+]1 ZINC000455492898 1028265084 /nfs/dbraw/zinc/26/50/84/1028265084.db2.gz LPHDSJJJXZBNAX-UHFFFAOYSA-N 1 2 331.366 3.875 20 0 EHADLO FC(F)(F)c1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414511299 1028280467 /nfs/dbraw/zinc/28/04/67/1028280467.db2.gz XDBBCZJKDDNABK-UHFFFAOYSA-N 1 2 335.251 3.804 20 0 EHADLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000137032400 1028285656 /nfs/dbraw/zinc/28/56/56/1028285656.db2.gz ZVZXRULZURUWCG-HIFRSBDPSA-N 1 2 332.473 3.570 20 0 EHADLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000137032400 1028285671 /nfs/dbraw/zinc/28/56/71/1028285671.db2.gz ZVZXRULZURUWCG-HIFRSBDPSA-N 1 2 332.473 3.570 20 0 EHADLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000444794268 1028291707 /nfs/dbraw/zinc/29/17/07/1028291707.db2.gz RMAFLZAYWBIBDJ-INIZCTEOSA-N 1 2 341.904 3.692 20 0 EHADLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000444794268 1028291725 /nfs/dbraw/zinc/29/17/25/1028291725.db2.gz RMAFLZAYWBIBDJ-INIZCTEOSA-N 1 2 341.904 3.692 20 0 EHADLO Cc1cn2cc(NC(=O)N[C@@H](C)Cc3ccc(C)s3)ccc2[nH+]1 ZINC000523426151 1028297607 /nfs/dbraw/zinc/29/76/07/1028297607.db2.gz WRKTVMSHVVOICN-NSHDSACASA-N 1 2 328.441 3.765 20 0 EHADLO Cc1cc(N(C)C)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056646183 1028338099 /nfs/dbraw/zinc/33/80/99/1028338099.db2.gz PTIPEEVCZPMBHF-UHFFFAOYSA-N 1 2 349.438 3.568 20 0 EHADLO Cc1cn2cc(NC(=O)N(C)Cc3cc(C)ccc3F)ccc2[nH+]1 ZINC000444904711 1028385694 /nfs/dbraw/zinc/38/56/94/1028385694.db2.gz RVLBCXWFVOEKSS-UHFFFAOYSA-N 1 2 326.375 3.754 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)c1cc2c(s1)-c1ccccc1CC2 ZINC000068736287 1028402926 /nfs/dbraw/zinc/40/29/26/1028402926.db2.gz PXAVDHSHMYQCBY-UHFFFAOYSA-N 1 2 337.448 3.530 20 0 EHADLO CC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCC1 ZINC000342964546 1028412582 /nfs/dbraw/zinc/41/25/82/1028412582.db2.gz GJUURIGFZVPODZ-UHFFFAOYSA-N 1 2 336.505 3.831 20 0 EHADLO COCc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)no1 ZINC000414519098 1028427745 /nfs/dbraw/zinc/42/77/45/1028427745.db2.gz BXJDAKKZIOBACB-IBGZPJMESA-N 1 2 344.455 3.595 20 0 EHADLO CSc1ncc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c(Cl)n1 ZINC001142427292 1028444554 /nfs/dbraw/zinc/44/45/54/1028444554.db2.gz MEGSKVXDUIPBRA-AWEZNQCLSA-N 1 2 349.887 3.814 20 0 EHADLO CSc1ncc(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c(Cl)n1 ZINC001142427292 1028444562 /nfs/dbraw/zinc/44/45/62/1028444562.db2.gz MEGSKVXDUIPBRA-AWEZNQCLSA-N 1 2 349.887 3.814 20 0 EHADLO O[C@@]1(C2CC2)CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000664350770 1028444715 /nfs/dbraw/zinc/44/47/15/1028444715.db2.gz OLRFNTMHRCIGAG-KRWDZBQOSA-N 1 2 347.256 3.739 20 0 EHADLO C[C@H](Cc1cccc(F)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000070827248 1028463866 /nfs/dbraw/zinc/46/38/66/1028463866.db2.gz XMLIWCQXPZDNRD-OAHLLOKOSA-N 1 2 337.398 3.506 20 0 EHADLO CC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523609550 1028465309 /nfs/dbraw/zinc/46/53/09/1028465309.db2.gz YBIJQGDUZFRIBU-GFCCVEGCSA-N 1 2 336.284 3.642 20 0 EHADLO CC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523609550 1028465317 /nfs/dbraw/zinc/46/53/17/1028465317.db2.gz YBIJQGDUZFRIBU-GFCCVEGCSA-N 1 2 336.284 3.642 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccoc1C ZINC000193994901 1028480269 /nfs/dbraw/zinc/48/02/69/1028480269.db2.gz VAUQESMGQHHFTG-MRXNPFEDSA-N 1 2 332.469 3.617 20 0 EHADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000193994901 1028480279 /nfs/dbraw/zinc/48/02/79/1028480279.db2.gz VAUQESMGQHHFTG-MRXNPFEDSA-N 1 2 332.469 3.617 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000072022147 1028495483 /nfs/dbraw/zinc/49/54/83/1028495483.db2.gz LQWOAHRYOSFJDE-UHFFFAOYSA-N 1 2 331.419 3.681 20 0 EHADLO C[C@H](CCOc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072701109 1028511046 /nfs/dbraw/zinc/51/10/46/1028511046.db2.gz FAOOTKZSNKFYEW-QGZVFWFLSA-N 1 2 349.434 3.594 20 0 EHADLO COc1cccc([C@@H]2C[C@H]2NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000583007868 1028513635 /nfs/dbraw/zinc/51/36/35/1028513635.db2.gz ZKMHOPDLQFBAKL-DLBZAZTESA-N 1 2 325.412 3.693 20 0 EHADLO Cc1nc(Cl)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000194560881 1028521741 /nfs/dbraw/zinc/52/17/41/1028521741.db2.gz FMERFRGECBJRNU-UHFFFAOYSA-N 1 2 341.802 3.551 20 0 EHADLO O=C(c1cc(-c2ccccc2)ccc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000523689334 1028525037 /nfs/dbraw/zinc/52/50/37/1028525037.db2.gz BBTKXUIWHWKWON-UHFFFAOYSA-N 1 2 337.810 3.901 20 0 EHADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H](O)c1ccccc1 ZINC000072962650 1028530416 /nfs/dbraw/zinc/53/04/16/1028530416.db2.gz NGCCAJOUBFYTHO-LJQANCHMSA-N 1 2 347.418 3.559 20 0 EHADLO CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000194501890 1028535737 /nfs/dbraw/zinc/53/57/37/1028535737.db2.gz NKXZCAHRUQYVSG-UHFFFAOYSA-N 1 2 348.406 3.669 20 0 EHADLO Cc1noc2nc(C(C)C)cc(C(=O)NCc3cc(C)[nH+]c(C)c3)c12 ZINC000421561271 1028537497 /nfs/dbraw/zinc/53/74/97/1028537497.db2.gz SALDCXGELPWOJY-UHFFFAOYSA-N 1 2 338.411 3.596 20 0 EHADLO Cc1cc(CNC(=O)CSCc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000421551605 1028548982 /nfs/dbraw/zinc/54/89/82/1028548982.db2.gz ADFOADVBHGICIF-UHFFFAOYSA-N 1 2 334.872 3.901 20 0 EHADLO Cc1csc(C2([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CCC2)n1 ZINC000342988261 1028549144 /nfs/dbraw/zinc/54/91/44/1028549144.db2.gz LIRSTMZNWCFOQC-UHFFFAOYSA-N 1 2 342.443 3.945 20 0 EHADLO O=C(NCCCNc1cccc[nH+]1)NCCc1ccc2ccccc2c1 ZINC000504308984 1028553866 /nfs/dbraw/zinc/55/38/66/1028553866.db2.gz DNBFVRBCYNCLAF-UHFFFAOYSA-N 1 2 348.450 3.579 20 0 EHADLO O=C(CSc1cccs1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000073573202 1028562670 /nfs/dbraw/zinc/56/26/70/1028562670.db2.gz DGDZOJBMQABDTI-UHFFFAOYSA-N 1 2 339.511 3.531 20 0 EHADLO O=C(CCCc1ccc2ccccc2c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423701566 1028568226 /nfs/dbraw/zinc/56/82/26/1028568226.db2.gz WFBJGINXPJUMOM-GOSISDBHSA-N 1 2 346.421 3.524 20 0 EHADLO Cc1cc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc(C)[nH+]1 ZINC000421575415 1028569949 /nfs/dbraw/zinc/56/99/49/1028569949.db2.gz KDUDGKYPCUCPEX-UHFFFAOYSA-N 1 2 348.406 3.556 20 0 EHADLO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000054472618 1028583065 /nfs/dbraw/zinc/58/30/65/1028583065.db2.gz DHKUAPHGTXUQHO-MRXNPFEDSA-N 1 2 333.435 3.655 20 0 EHADLO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1ncc2ccccc2c1=O ZINC000054472618 1028583073 /nfs/dbraw/zinc/58/30/73/1028583073.db2.gz DHKUAPHGTXUQHO-MRXNPFEDSA-N 1 2 333.435 3.655 20 0 EHADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C)c1cc2ccccc2o1 ZINC000583026988 1028584711 /nfs/dbraw/zinc/58/47/11/1028584711.db2.gz AOWZVOBYPFGLDP-HOCLYGCPSA-N 1 2 337.423 3.801 20 0 EHADLO CC1(c2ccccc2)CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423747829 1028594005 /nfs/dbraw/zinc/59/40/05/1028594005.db2.gz SVYFVSDWMAGUBA-SFHVURJKSA-N 1 2 344.405 3.545 20 0 EHADLO CCC1CCC(N(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000523798182 1028635171 /nfs/dbraw/zinc/63/51/71/1028635171.db2.gz FTLKTKKZFNELAY-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](C2CCCC2)C1 ZINC000421647774 1028640565 /nfs/dbraw/zinc/64/05/65/1028640565.db2.gz XAPRDBXLCRJNON-AWEZNQCLSA-N 1 2 347.409 3.662 20 0 EHADLO CCC(C)(C)c1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000509672917 1028717932 /nfs/dbraw/zinc/71/79/32/1028717932.db2.gz XCXWKAQEKVCAEZ-OAHLLOKOSA-N 1 2 337.529 3.772 20 0 EHADLO CCC(C)(C)c1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000509672917 1028717946 /nfs/dbraw/zinc/71/79/46/1028717946.db2.gz XCXWKAQEKVCAEZ-OAHLLOKOSA-N 1 2 337.529 3.772 20 0 EHADLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)ccc1OC(C)C ZINC000122855185 1028756082 /nfs/dbraw/zinc/75/60/82/1028756082.db2.gz HOKOMRIFABZXMT-UHFFFAOYSA-N 1 2 343.427 3.504 20 0 EHADLO CNC(=O)c1cccc(C[N@@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1 ZINC000502876504 1028768095 /nfs/dbraw/zinc/76/80/95/1028768095.db2.gz IVZYAINIUHUGCZ-FQEVSTJZSA-N 1 2 344.405 3.564 20 0 EHADLO CNC(=O)c1cccc(C[N@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1 ZINC000502876504 1028768111 /nfs/dbraw/zinc/76/81/11/1028768111.db2.gz IVZYAINIUHUGCZ-FQEVSTJZSA-N 1 2 344.405 3.564 20 0 EHADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(OC(C)(C)C)CC2)n1 ZINC000162429229 1028772070 /nfs/dbraw/zinc/77/20/70/1028772070.db2.gz BXZRZYIHQWNTJH-UHFFFAOYSA-N 1 2 343.471 3.748 20 0 EHADLO c1sc2c(c1-c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000278070355 1028776671 /nfs/dbraw/zinc/77/66/71/1028776671.db2.gz NFUQFBCKXOWCKH-IUODEOHRSA-N 1 2 345.468 3.603 20 0 EHADLO c1sc2c(c1-c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CCCC2 ZINC000278070355 1028776683 /nfs/dbraw/zinc/77/66/83/1028776683.db2.gz NFUQFBCKXOWCKH-IUODEOHRSA-N 1 2 345.468 3.603 20 0 EHADLO c1ccc2oc(SCc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000421822391 1028812915 /nfs/dbraw/zinc/81/29/15/1028812915.db2.gz ANTRTKOXUPRJDF-UHFFFAOYSA-N 1 2 340.448 3.952 20 0 EHADLO C[C@H]1CCc2c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)csc2C1 ZINC000123110513 1028818954 /nfs/dbraw/zinc/81/89/54/1028818954.db2.gz SPSLCXAYJJMRKU-GRDNDAEWSA-N 1 2 343.496 3.793 20 0 EHADLO COc1ccc2[nH]cc(CC(=O)Nc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000075939754 1028824184 /nfs/dbraw/zinc/82/41/84/1028824184.db2.gz CEKOBEQDNVLHGB-UHFFFAOYSA-N 1 2 346.390 3.543 20 0 EHADLO COC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(F)cc1 ZINC000532785592 1028835827 /nfs/dbraw/zinc/83/58/27/1028835827.db2.gz VBPYIWWCZKZPCC-MRXNPFEDSA-N 1 2 347.821 3.843 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000153857343 1028836593 /nfs/dbraw/zinc/83/65/93/1028836593.db2.gz DFIZCODDWALDGA-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153857343 1028836609 /nfs/dbraw/zinc/83/66/09/1028836609.db2.gz DFIZCODDWALDGA-OAHLLOKOSA-N 1 2 349.887 3.592 20 0 EHADLO Cc1cccc(C2(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCC2)c1 ZINC000026926879 1028845842 /nfs/dbraw/zinc/84/58/42/1028845842.db2.gz BDICSQPRURFYIX-UHFFFAOYSA-N 1 2 349.478 3.728 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1nc(C(F)F)no1 ZINC000424130117 1028846423 /nfs/dbraw/zinc/84/64/23/1028846423.db2.gz ZAZQAVBSJFULEJ-UHFFFAOYSA-N 1 2 336.367 3.935 20 0 EHADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccoc1 ZINC000245572577 1028864008 /nfs/dbraw/zinc/86/40/08/1028864008.db2.gz CNDZVPYQGLIKNF-MORSLUCNSA-N 1 2 334.847 3.656 20 0 EHADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccoc1 ZINC000245572577 1028864021 /nfs/dbraw/zinc/86/40/21/1028864021.db2.gz CNDZVPYQGLIKNF-MORSLUCNSA-N 1 2 334.847 3.656 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](CC(F)F)c2ccccc2)s1 ZINC000421882345 1028885702 /nfs/dbraw/zinc/88/57/02/1028885702.db2.gz RYZKRJVONWOPFP-CMPLNLGQSA-N 1 2 340.395 3.977 20 0 EHADLO COCc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000248435783 1028903936 /nfs/dbraw/zinc/90/39/36/1028903936.db2.gz AJQOLKLTMYRMFL-HNAYVOBHSA-N 1 2 349.434 3.925 20 0 EHADLO COCc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000248435783 1028903949 /nfs/dbraw/zinc/90/39/49/1028903949.db2.gz AJQOLKLTMYRMFL-HNAYVOBHSA-N 1 2 349.434 3.925 20 0 EHADLO C[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123433414 1028911838 /nfs/dbraw/zinc/91/18/38/1028911838.db2.gz FLBXXKLZEJIMEP-SWLSCSKDSA-N 1 2 337.345 3.625 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475630728 1028914791 /nfs/dbraw/zinc/91/47/91/1028914791.db2.gz ISVWAMGHPIGXHV-BBRMVZONSA-N 1 2 330.255 3.763 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@]2(CCOC2)O1 ZINC000475630728 1028914801 /nfs/dbraw/zinc/91/48/01/1028914801.db2.gz ISVWAMGHPIGXHV-BBRMVZONSA-N 1 2 330.255 3.763 20 0 EHADLO C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)c1nc2ccccc2o1 ZINC000248585905 1028922796 /nfs/dbraw/zinc/92/27/96/1028922796.db2.gz PYERHKVEDSZNCW-IBRHDDFTSA-N 1 2 328.437 3.598 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)cc2[nH+]1 ZINC000343068891 1028938844 /nfs/dbraw/zinc/93/88/44/1028938844.db2.gz YZOUPRTVGVPPAV-BTDLBPIBSA-N 1 2 341.436 3.821 20 0 EHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000248817760 1028953025 /nfs/dbraw/zinc/95/30/25/1028953025.db2.gz DKKMOCYYZDPVJQ-PUECVXPYSA-N 1 2 331.847 3.520 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](C3CCCC3)C1)C2 ZINC000421951970 1028959159 /nfs/dbraw/zinc/95/91/59/1028959159.db2.gz QZOIEFPHZZROEF-HZPDHXFCSA-N 1 2 329.488 3.677 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C3CCCC3)C1)CC2 ZINC000421951970 1028959176 /nfs/dbraw/zinc/95/91/76/1028959176.db2.gz QZOIEFPHZZROEF-HZPDHXFCSA-N 1 2 329.488 3.677 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[nH+]c12 ZINC000524203740 1028963334 /nfs/dbraw/zinc/96/33/34/1028963334.db2.gz SYMWJGOUJIVWIZ-JCGIZDLHSA-N 1 2 327.472 3.762 20 0 EHADLO CSc1cccnc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000445622396 1029001847 /nfs/dbraw/zinc/00/18/47/1029001847.db2.gz AFEBWMINHHQJDA-UHFFFAOYSA-N 1 2 335.392 3.706 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000532893867 1029014289 /nfs/dbraw/zinc/01/42/89/1029014289.db2.gz NECCCRVHTTWDRS-IBGZPJMESA-N 1 2 325.383 3.829 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000532893867 1029014302 /nfs/dbraw/zinc/01/43/02/1029014302.db2.gz NECCCRVHTTWDRS-IBGZPJMESA-N 1 2 325.383 3.829 20 0 EHADLO COCC[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000532893901 1029015284 /nfs/dbraw/zinc/01/52/84/1029015284.db2.gz YEBCNKOMHPCZKV-UHFFFAOYSA-N 1 2 347.524 3.982 20 0 EHADLO COCC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000532893901 1029015300 /nfs/dbraw/zinc/01/53/00/1029015300.db2.gz YEBCNKOMHPCZKV-UHFFFAOYSA-N 1 2 347.524 3.982 20 0 EHADLO CCC1(C)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000508537755 1029035489 /nfs/dbraw/zinc/03/54/89/1029035489.db2.gz JLMGQXDMSXBHHS-UHFFFAOYSA-N 1 2 345.512 3.915 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC000123881337 1029060571 /nfs/dbraw/zinc/06/05/71/1029060571.db2.gz HZKKSOAKXZNIHE-CQSZACIVSA-N 1 2 341.484 3.748 20 0 EHADLO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC000123881337 1029060580 /nfs/dbraw/zinc/06/05/80/1029060580.db2.gz HZKKSOAKXZNIHE-CQSZACIVSA-N 1 2 341.484 3.748 20 0 EHADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H]1c1ccccc1 ZINC000431525891 1029131991 /nfs/dbraw/zinc/13/19/91/1029131991.db2.gz XABWIOIZQJUYCX-NRFANRHFSA-N 1 2 345.446 3.838 20 0 EHADLO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1c(F)cccc1F ZINC000271787829 1029172423 /nfs/dbraw/zinc/17/24/23/1029172423.db2.gz QCKNVGDMUUKFJF-JTQLQIEISA-N 1 2 337.370 3.540 20 0 EHADLO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000261625637 1029177492 /nfs/dbraw/zinc/17/74/92/1029177492.db2.gz HDAKBBXWEILOAQ-ZDUSSCGKSA-N 1 2 331.243 3.935 20 0 EHADLO COc1c(C)cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1C ZINC000067694696 1029182850 /nfs/dbraw/zinc/18/28/50/1029182850.db2.gz KFPZBRDULSVWLT-UHFFFAOYSA-N 1 2 329.444 3.953 20 0 EHADLO Cc1nc(C2([NH2+]CCOc3cc(C)ccc3C)CCCCC2)no1 ZINC000533028358 1029189842 /nfs/dbraw/zinc/18/98/42/1029189842.db2.gz XGXLLVJLUQBZQJ-UHFFFAOYSA-N 1 2 329.444 3.823 20 0 EHADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1)[NH+]1CCOCC1 ZINC000424644998 1029208930 /nfs/dbraw/zinc/20/89/30/1029208930.db2.gz NLNWGVULGMPCOT-DJIMGWMZSA-N 1 2 334.435 3.547 20 0 EHADLO C[C@@H](c1cccc(NC(=O)NC(C)(C)C2CCC2)c1)[NH+]1CCOCC1 ZINC000454738938 1029251740 /nfs/dbraw/zinc/25/17/40/1029251740.db2.gz LONSBYDSHHRIKW-HNNXBMFYSA-N 1 2 345.487 3.780 20 0 EHADLO Cc1cccn2c(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)c[nH+]c12 ZINC000245766157 1029262400 /nfs/dbraw/zinc/26/24/00/1029262400.db2.gz QUJVAJYHADETMB-WMLDXEAASA-N 1 2 327.453 3.666 20 0 EHADLO CN(C)c1ncc(CNc2[nH+]c3ccccc3n2C2CCCC2)cn1 ZINC000271995513 1029265800 /nfs/dbraw/zinc/26/58/00/1029265800.db2.gz SPMCQTKMUGXYRH-UHFFFAOYSA-N 1 2 336.443 3.620 20 0 EHADLO CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000424714694 1029266083 /nfs/dbraw/zinc/26/60/83/1029266083.db2.gz DEDDZDAHTJLZJF-XLIONFOSSA-N 1 2 338.451 3.639 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ncc(Cc2ccc(F)cc2F)s1 ZINC000424728063 1029299118 /nfs/dbraw/zinc/29/91/18/1029299118.db2.gz WZQJKMRICBEJIH-UHFFFAOYSA-N 1 2 348.422 3.824 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(C2CCC2)CCC1 ZINC000454799862 1029334844 /nfs/dbraw/zinc/33/48/44/1029334844.db2.gz AWRRAJWHHUVEMG-UHFFFAOYSA-N 1 2 327.472 3.659 20 0 EHADLO FC(F)(F)c1csc(COc2ccccc2-n2cc[nH+]c2)n1 ZINC000533113599 1029344460 /nfs/dbraw/zinc/34/44/60/1029344460.db2.gz MECJFPVCOUFMMD-UHFFFAOYSA-N 1 2 325.315 3.927 20 0 EHADLO Cc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000533130149 1029361022 /nfs/dbraw/zinc/36/10/22/1029361022.db2.gz PIORQWOGRNQBDQ-LJQANCHMSA-N 1 2 337.423 3.502 20 0 EHADLO Cc1cc(C)cc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)c1 ZINC001211571453 1029382168 /nfs/dbraw/zinc/38/21/68/1029382168.db2.gz TZEKSBVYKDKYTK-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Cc1cc(C)cc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)c1 ZINC001211571453 1029382181 /nfs/dbraw/zinc/38/21/81/1029382181.db2.gz TZEKSBVYKDKYTK-SFHVURJKSA-N 1 2 337.423 3.519 20 0 EHADLO Brc1ccc(-c2noc(C[NH+]3CCC3)n2)c2ccccc12 ZINC001212093018 1029392105 /nfs/dbraw/zinc/39/21/05/1029392105.db2.gz BHZNOKAEDKCUEI-UHFFFAOYSA-N 1 2 344.212 3.858 20 0 EHADLO Cc1ccccc1[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000079941407 1029392603 /nfs/dbraw/zinc/39/26/03/1029392603.db2.gz SBKASTIQTGJHHC-WBVHZDCISA-N 1 2 328.460 3.667 20 0 EHADLO CCCc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000154998382 1029400580 /nfs/dbraw/zinc/40/05/80/1029400580.db2.gz QAYDWJYQSCNBCH-QGZVFWFLSA-N 1 2 340.471 3.859 20 0 EHADLO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)on1 ZINC000272296946 1029404100 /nfs/dbraw/zinc/40/41/00/1029404100.db2.gz VZDXOXQYPLLUHR-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO Cc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)on1 ZINC000272296946 1029404106 /nfs/dbraw/zinc/40/41/06/1029404106.db2.gz VZDXOXQYPLLUHR-OAHLLOKOSA-N 1 2 329.448 3.528 20 0 EHADLO CC(C)c1cc(Br)ccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095611 1029405728 /nfs/dbraw/zinc/40/57/28/1029405728.db2.gz PWBAPCUDRBOBJO-UHFFFAOYSA-N 1 2 336.233 3.828 20 0 EHADLO COC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000454881052 1029429450 /nfs/dbraw/zinc/42/94/50/1029429450.db2.gz UMZZJEYBOHXOST-KRWDZBQOSA-N 1 2 347.846 3.539 20 0 EHADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000505300776 1029450782 /nfs/dbraw/zinc/45/07/82/1029450782.db2.gz ZHCUJDXKCVGHEY-KRWDZBQOSA-N 1 2 325.456 3.557 20 0 EHADLO CCOC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000524811152 1029528995 /nfs/dbraw/zinc/52/89/95/1029528995.db2.gz BPALQHABQQSTJM-RHSMWYFYSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)CCCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000524811152 1029529009 /nfs/dbraw/zinc/52/90/09/1029529009.db2.gz BPALQHABQQSTJM-RHSMWYFYSA-N 1 2 339.863 3.835 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1cccc2c1N=S=N2 ZINC000125575467 1029552190 /nfs/dbraw/zinc/55/21/90/1029552190.db2.gz AZWZTDQSCYSREM-HNNXBMFYSA-N 1 2 339.424 3.584 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1cccc2c1N=S=N2 ZINC000125575467 1029552206 /nfs/dbraw/zinc/55/22/06/1029552206.db2.gz AZWZTDQSCYSREM-HNNXBMFYSA-N 1 2 339.424 3.584 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2nc3ccccc3s2)s1 ZINC000533274660 1029556143 /nfs/dbraw/zinc/55/61/43/1029556143.db2.gz IQKHRJXUKHBAMW-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc3ccccc3s2)s1 ZINC000533274660 1029556155 /nfs/dbraw/zinc/55/61/55/1029556155.db2.gz IQKHRJXUKHBAMW-UHFFFAOYSA-N 1 2 331.466 3.737 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000434288637 1029560648 /nfs/dbraw/zinc/56/06/48/1029560648.db2.gz ROILPMQMITVRNA-SFHVURJKSA-N 1 2 325.456 3.946 20 0 EHADLO CC(C)C[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000434288637 1029560652 /nfs/dbraw/zinc/56/06/52/1029560652.db2.gz ROILPMQMITVRNA-SFHVURJKSA-N 1 2 325.456 3.946 20 0 EHADLO C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000343162755 1029560728 /nfs/dbraw/zinc/56/07/28/1029560728.db2.gz RCOIGJIYAIAJST-OXJNMPFZSA-N 1 2 331.419 3.765 20 0 EHADLO Cc1ccccc1-c1nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(=S)o1 ZINC000054495523 1029567514 /nfs/dbraw/zinc/56/75/14/1029567514.db2.gz SUCIDMKJPPSCDM-AWEZNQCLSA-N 1 2 345.468 3.639 20 0 EHADLO Cc1ccccc1-c1nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(=S)o1 ZINC000054495523 1029567523 /nfs/dbraw/zinc/56/75/23/1029567523.db2.gz SUCIDMKJPPSCDM-AWEZNQCLSA-N 1 2 345.468 3.639 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000611575546 1029581730 /nfs/dbraw/zinc/58/17/30/1029581730.db2.gz QZFQBBCJBDYTKZ-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000611575546 1029581736 /nfs/dbraw/zinc/58/17/36/1029581736.db2.gz QZFQBBCJBDYTKZ-INIZCTEOSA-N 1 2 330.453 3.728 20 0 EHADLO COc1cccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CC2)c1 ZINC000150890300 1029589974 /nfs/dbraw/zinc/58/99/74/1029589974.db2.gz ZEHMHKMFIQCZAT-UHFFFAOYSA-N 1 2 337.448 3.993 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000154284114 1029616095 /nfs/dbraw/zinc/61/60/95/1029616095.db2.gz DHVWTPBEKHKMCN-ZDUSSCGKSA-N 1 2 342.468 3.993 20 0 EHADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000154284114 1029616101 /nfs/dbraw/zinc/61/61/01/1029616101.db2.gz DHVWTPBEKHKMCN-ZDUSSCGKSA-N 1 2 342.468 3.993 20 0 EHADLO O=C(NCCC1CCCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048966263 1029647896 /nfs/dbraw/zinc/64/78/96/1029647896.db2.gz AMDZSDPSGQVIBG-UHFFFAOYSA-N 1 2 340.471 3.701 20 0 EHADLO O[C@H](C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000052275925 1029661637 /nfs/dbraw/zinc/66/16/37/1029661637.db2.gz ADELUPBJPOUMCY-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@H](C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000052275925 1029661641 /nfs/dbraw/zinc/66/16/41/1029661641.db2.gz ADELUPBJPOUMCY-MSOLQXFVSA-N 1 2 335.806 3.586 20 0 EHADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1Cl ZINC000343185962 1029666642 /nfs/dbraw/zinc/66/66/42/1029666642.db2.gz BDGSOGRXBAMFOL-WDEREUQCSA-N 1 2 338.238 3.630 20 0 EHADLO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155876588 1029678533 /nfs/dbraw/zinc/67/85/33/1029678533.db2.gz QZOSDBGXZBGPQL-HNNXBMFYSA-N 1 2 332.407 3.828 20 0 EHADLO Oc1ccc(Br)c(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155937057 1029702889 /nfs/dbraw/zinc/70/28/89/1029702889.db2.gz LHHIENVTSDRIOI-UHFFFAOYSA-N 1 2 344.212 3.953 20 0 EHADLO Cc1cnc([C@@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cn1 ZINC000428448032 1029706638 /nfs/dbraw/zinc/70/66/38/1029706638.db2.gz OLRNDPSXMWWWKZ-CYBMUJFWSA-N 1 2 345.393 3.719 20 0 EHADLO C[C@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000126368153 1029711994 /nfs/dbraw/zinc/71/19/94/1029711994.db2.gz YFJLCGXPAGDXBW-VXRMJLTESA-N 1 2 346.434 3.554 20 0 EHADLO COC(=O)c1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1C ZINC000615114979 1029750013 /nfs/dbraw/zinc/75/00/13/1029750013.db2.gz TXPHUWFDHLNIGZ-UHFFFAOYSA-N 1 2 335.407 3.639 20 0 EHADLO O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000525241832 1029763285 /nfs/dbraw/zinc/76/32/85/1029763285.db2.gz ILKQMUUMXFVYGW-UHFFFAOYSA-N 1 2 335.411 3.895 20 0 EHADLO O=C(N[C@H](C1CC1)C1CCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455640115 1029791382 /nfs/dbraw/zinc/79/13/82/1029791382.db2.gz IUETUZDXASTSPM-IBGZPJMESA-N 1 2 344.503 3.664 20 0 EHADLO C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCCCC1)Cn1cc[nH+]c1 ZINC000525331797 1029796176 /nfs/dbraw/zinc/79/61/76/1029796176.db2.gz VJYMMJNKGHCIHM-INIZCTEOSA-N 1 2 343.446 3.677 20 0 EHADLO Cc1cc(C)cc(CCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000536020779 1029808228 /nfs/dbraw/zinc/80/82/28/1029808228.db2.gz OUNHJIUOSMYNDO-UHFFFAOYSA-N 1 2 342.508 3.642 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179335796 1029830378 /nfs/dbraw/zinc/83/03/78/1029830378.db2.gz OWFBHVQAQNANBZ-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO C/C(=C\c1ccccc1Cl)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179335796 1029830381 /nfs/dbraw/zinc/83/03/81/1029830381.db2.gz OWFBHVQAQNANBZ-PKNBQFBNSA-N 1 2 347.871 3.826 20 0 EHADLO CCCNC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000446881337 1029834558 /nfs/dbraw/zinc/83/45/58/1029834558.db2.gz PLDLYIUALGMXAB-UHFFFAOYSA-N 1 2 340.452 3.686 20 0 EHADLO CSc1cccc(F)c1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000343232397 1029836986 /nfs/dbraw/zinc/83/69/86/1029836986.db2.gz CUNSGDKZBLHXDT-UHFFFAOYSA-N 1 2 332.448 3.940 20 0 EHADLO CSc1cccc(F)c1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000343232397 1029836996 /nfs/dbraw/zinc/83/69/96/1029836996.db2.gz CUNSGDKZBLHXDT-UHFFFAOYSA-N 1 2 332.448 3.940 20 0 EHADLO CC(C)O[C@H](C[N@H+](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000428458735 1029843902 /nfs/dbraw/zinc/84/39/02/1029843902.db2.gz IXNBZPCGZGZGGR-LJQANCHMSA-N 1 2 326.440 3.723 20 0 EHADLO CC(C)O[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000428458735 1029843905 /nfs/dbraw/zinc/84/39/05/1029843905.db2.gz IXNBZPCGZGZGGR-LJQANCHMSA-N 1 2 326.440 3.723 20 0 EHADLO CC(C)Oc1cccc([C@H]([NH2+]CCCc2cnn(C)c2)C(F)F)c1 ZINC000555903654 1029895364 /nfs/dbraw/zinc/89/53/64/1029895364.db2.gz VTQIXQJOFVWJTE-KRWDZBQOSA-N 1 2 337.414 3.736 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000156616067 1029900647 /nfs/dbraw/zinc/90/06/47/1029900647.db2.gz GVNWGNFHMULVED-ZRSRNVLSSA-N 1 2 329.488 3.899 20 0 EHADLO CCOc1ccc(Cl)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000455766728 1029909550 /nfs/dbraw/zinc/90/95/50/1029909550.db2.gz HOXZOSHFMGSKJS-UHFFFAOYSA-N 1 2 348.834 3.873 20 0 EHADLO C[N@H+](Cc1nc(Cc2cc3ccccc3s2)no1)[C@@H]1CCSC1 ZINC000453209646 1029911322 /nfs/dbraw/zinc/91/13/22/1029911322.db2.gz DVTYVLBKRRQCJW-CYBMUJFWSA-N 1 2 345.493 3.812 20 0 EHADLO C[N@@H+](Cc1nc(Cc2cc3ccccc3s2)no1)[C@@H]1CCSC1 ZINC000453209646 1029911338 /nfs/dbraw/zinc/91/13/38/1029911338.db2.gz DVTYVLBKRRQCJW-CYBMUJFWSA-N 1 2 345.493 3.812 20 0 EHADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccncn1 ZINC000453221619 1029934585 /nfs/dbraw/zinc/93/45/85/1029934585.db2.gz PTTJIUBJVYZSKL-OTYXRUKQSA-N 1 2 345.752 3.533 20 0 EHADLO CC(C)Oc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000455775533 1029948986 /nfs/dbraw/zinc/94/89/86/1029948986.db2.gz ZOUBBRHRWQPPCP-QAPCUYQASA-N 1 2 342.443 3.785 20 0 EHADLO CC(C)[N@H+](C)Cc1nc(CSCc2ccc(Cl)cc2)no1 ZINC000453248620 1029974400 /nfs/dbraw/zinc/97/44/00/1029974400.db2.gz LFZANTFLIHYWHO-UHFFFAOYSA-N 1 2 325.865 3.997 20 0 EHADLO CC(C)[N@@H+](C)Cc1nc(CSCc2ccc(Cl)cc2)no1 ZINC000453248620 1029974418 /nfs/dbraw/zinc/97/44/18/1029974418.db2.gz LFZANTFLIHYWHO-UHFFFAOYSA-N 1 2 325.865 3.997 20 0 EHADLO CC(C)[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000278286757 1029979450 /nfs/dbraw/zinc/97/94/50/1029979450.db2.gz UKURZFOVHRNNSP-KRWDZBQOSA-N 1 2 338.455 3.689 20 0 EHADLO CCn1ccnc1C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453291321 1030036634 /nfs/dbraw/zinc/03/66/34/1030036634.db2.gz PCCAHCJTCLOYEV-CYBMUJFWSA-N 1 2 343.862 3.901 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002122 1030058360 /nfs/dbraw/zinc/05/83/60/1030058360.db2.gz RIKQIUZAYRXFNA-HUUCEWRRSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000090002122 1030058380 /nfs/dbraw/zinc/05/83/80/1030058380.db2.gz RIKQIUZAYRXFNA-HUUCEWRRSA-N 1 2 349.887 3.589 20 0 EHADLO Cc1nc(C2CCCC2)sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000525723609 1030059387 /nfs/dbraw/zinc/05/93/87/1030059387.db2.gz AUSWJHQULWYKCF-UHFFFAOYSA-N 1 2 332.473 3.516 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)CC2 ZINC000531943288 1030062957 /nfs/dbraw/zinc/06/29/57/1030062957.db2.gz MUFQRHYWODGHGX-PMACEKPBSA-N 1 2 333.435 3.795 20 0 EHADLO O=C1[C@@H]([N@@H+]2CCCc3sccc3C2)CCN1c1ccccc1Cl ZINC000600645868 1030105024 /nfs/dbraw/zinc/10/50/24/1030105024.db2.gz ROINQNYGLIYERO-INIZCTEOSA-N 1 2 346.883 3.955 20 0 EHADLO O=C1[C@@H]([N@H+]2CCCc3sccc3C2)CCN1c1ccccc1Cl ZINC000600645868 1030105030 /nfs/dbraw/zinc/10/50/30/1030105030.db2.gz ROINQNYGLIYERO-INIZCTEOSA-N 1 2 346.883 3.955 20 0 EHADLO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1nccn1CC)CCC2 ZINC000453335847 1030117091 /nfs/dbraw/zinc/11/70/91/1030117091.db2.gz DXBGQAICFNBCCF-ZIAGYGMSSA-N 1 2 345.443 3.709 20 0 EHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cn1 ZINC000428479156 1030123571 /nfs/dbraw/zinc/12/35/71/1030123571.db2.gz JPDUUNFHDSNXMU-NEPJUHHUSA-N 1 2 331.370 3.942 20 0 EHADLO C[C@H](c1ncc(Br)cc1F)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339109 1030123861 /nfs/dbraw/zinc/12/38/61/1030123861.db2.gz BRESHKCBGLEAIF-IAQYHMDHSA-N 1 2 343.240 3.547 20 0 EHADLO C[C@H](c1ncc(Br)cc1F)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339109 1030123868 /nfs/dbraw/zinc/12/38/68/1030123868.db2.gz BRESHKCBGLEAIF-IAQYHMDHSA-N 1 2 343.240 3.547 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018459 1030177127 /nfs/dbraw/zinc/17/71/27/1030177127.db2.gz RENZGJPKILEPIV-JSGCOSHPSA-N 1 2 329.893 3.754 20 0 EHADLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000482018459 1030177130 /nfs/dbraw/zinc/17/71/30/1030177130.db2.gz RENZGJPKILEPIV-JSGCOSHPSA-N 1 2 329.893 3.754 20 0 EHADLO CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCC(C)(C)CC1 ZINC000447414726 1030187739 /nfs/dbraw/zinc/18/77/39/1030187739.db2.gz WRHJYSOOBFKLRX-UHFFFAOYSA-N 1 2 340.471 3.983 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cc(F)ccc1F ZINC000453374157 1030196312 /nfs/dbraw/zinc/19/63/12/1030196312.db2.gz VQYJUNILUDEKDD-QGZVFWFLSA-N 1 2 343.381 3.632 20 0 EHADLO CCc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)o1 ZINC000453380179 1030204770 /nfs/dbraw/zinc/20/47/70/1030204770.db2.gz KYAJYRATEYJRPJ-VIFPVBQESA-N 1 2 327.197 3.989 20 0 EHADLO Cc1cccc(-c2cncc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)c1 ZINC000128592694 1030220301 /nfs/dbraw/zinc/22/03/01/1030220301.db2.gz JZSVTTMGRLENEA-UHFFFAOYSA-N 1 2 346.434 3.731 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(F)(F)c1ccccc1)C2 ZINC000583597058 1030230548 /nfs/dbraw/zinc/23/05/48/1030230548.db2.gz QMFSRWTVXIJPNK-ZDUSSCGKSA-N 1 2 347.409 3.546 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(F)(F)c1ccccc1)CC2 ZINC000583597058 1030230564 /nfs/dbraw/zinc/23/05/64/1030230564.db2.gz QMFSRWTVXIJPNK-ZDUSSCGKSA-N 1 2 347.409 3.546 20 0 EHADLO Clc1cnc(NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000159580306 1030271925 /nfs/dbraw/zinc/27/19/25/1030271925.db2.gz LMGCRDUZCYXHIW-UHFFFAOYSA-N 1 2 329.629 3.586 20 0 EHADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000121449362 1030273465 /nfs/dbraw/zinc/27/34/65/1030273465.db2.gz NYQJBXFWGMVLJW-HOTGVXAUSA-N 1 2 343.496 3.898 20 0 EHADLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2nc3c(cccc3C)[nH]2)c1 ZINC000482251548 1030289036 /nfs/dbraw/zinc/28/90/36/1030289036.db2.gz DMZJAMSMZLVMPG-UHFFFAOYSA-N 1 2 343.814 3.601 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(F)c(Cl)cc1F ZINC000343328461 1030307925 /nfs/dbraw/zinc/30/79/25/1030307925.db2.gz DNGTVFGWAYOOFC-UHFFFAOYSA-N 1 2 348.740 3.510 20 0 EHADLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC(C)C ZINC000278352872 1030321565 /nfs/dbraw/zinc/32/15/65/1030321565.db2.gz ADAKHUHUDMEUPF-HNNXBMFYSA-N 1 2 342.443 3.917 20 0 EHADLO Fc1ccc([C@H]2C[N@H+](Cc3cccc4c[nH]nc43)CCO2)c(Cl)c1 ZINC000482301687 1030326797 /nfs/dbraw/zinc/32/67/97/1030326797.db2.gz UOIURBTYEFMKHM-QGZVFWFLSA-N 1 2 345.805 3.929 20 0 EHADLO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CCO2)c(Cl)c1 ZINC000482301687 1030326813 /nfs/dbraw/zinc/32/68/13/1030326813.db2.gz UOIURBTYEFMKHM-QGZVFWFLSA-N 1 2 345.805 3.929 20 0 EHADLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c(C)s1 ZINC000532059113 1030348568 /nfs/dbraw/zinc/34/85/68/1030348568.db2.gz PNTXBHRGQLDYNT-KRWDZBQOSA-N 1 2 345.464 3.725 20 0 EHADLO COC(=O)c1cc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c(C)s1 ZINC000532059113 1030348581 /nfs/dbraw/zinc/34/85/81/1030348581.db2.gz PNTXBHRGQLDYNT-KRWDZBQOSA-N 1 2 345.464 3.725 20 0 EHADLO CCC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000121739942 1030355313 /nfs/dbraw/zinc/35/53/13/1030355313.db2.gz LBYNAQYTVLNRIV-KRWDZBQOSA-N 1 2 344.503 3.794 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069038 1030368308 /nfs/dbraw/zinc/36/83/08/1030368308.db2.gz GYPORTGGRGRSBF-GXFFZTMASA-N 1 2 327.350 3.787 20 0 EHADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069038 1030368326 /nfs/dbraw/zinc/36/83/26/1030368326.db2.gz GYPORTGGRGRSBF-GXFFZTMASA-N 1 2 327.350 3.787 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069031 1030369762 /nfs/dbraw/zinc/36/97/62/1030369762.db2.gz GYPORTGGRGRSBF-MFKMUULPSA-N 1 2 327.350 3.787 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)o1 ZINC000092069031 1030369766 /nfs/dbraw/zinc/36/97/66/1030369766.db2.gz GYPORTGGRGRSBF-MFKMUULPSA-N 1 2 327.350 3.787 20 0 EHADLO CCOCCO[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000092067625 1030371136 /nfs/dbraw/zinc/37/11/36/1030371136.db2.gz ODICCJMFDKRMHO-ZDUSSCGKSA-N 1 2 348.270 3.629 20 0 EHADLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000092067625 1030371153 /nfs/dbraw/zinc/37/11/53/1030371153.db2.gz ODICCJMFDKRMHO-ZDUSSCGKSA-N 1 2 348.270 3.629 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457538 1030372418 /nfs/dbraw/zinc/37/24/18/1030372418.db2.gz FIRRJOGWIRTACY-MFKMUULPSA-N 1 2 342.386 3.986 20 0 EHADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000158457538 1030372432 /nfs/dbraw/zinc/37/24/32/1030372432.db2.gz FIRRJOGWIRTACY-MFKMUULPSA-N 1 2 342.386 3.986 20 0 EHADLO CCOC1(C)CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000428713702 1030374595 /nfs/dbraw/zinc/37/45/95/1030374595.db2.gz WOZRJOAGLKNXAA-UHFFFAOYSA-N 1 2 345.270 3.823 20 0 EHADLO Cc1cccn2cc(CC(=O)Nc3cc(F)ccc3OC(F)F)[nH+]c12 ZINC000532099731 1030400415 /nfs/dbraw/zinc/40/04/15/1030400415.db2.gz ALYWXAIRAYCTRF-UHFFFAOYSA-N 1 2 349.312 3.564 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)c2ccccc12 ZINC000343343437 1030411805 /nfs/dbraw/zinc/41/18/05/1030411805.db2.gz BGMCTZVJDLGGNK-UHFFFAOYSA-N 1 2 346.365 3.871 20 0 EHADLO C[C@H]1CCc2nc(CNc3ccc(N4CCCC4)c[nH+]3)sc2C1 ZINC000343345889 1030416259 /nfs/dbraw/zinc/41/62/59/1030416259.db2.gz FODWCFUSRNITHS-ZDUSSCGKSA-N 1 2 328.485 3.875 20 0 EHADLO CC(C)C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)n1cc[nH+]c1 ZINC000635126568 1030422909 /nfs/dbraw/zinc/42/29/09/1030422909.db2.gz FYEPNLHEMSBXFI-OAHLLOKOSA-N 1 2 342.468 3.739 20 0 EHADLO C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@H]1c1ccccc1 ZINC000567970512 1030433370 /nfs/dbraw/zinc/43/33/70/1030433370.db2.gz GMBJCDKWCNTHET-MAUKXSAKSA-N 1 2 334.423 3.992 20 0 EHADLO C[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc2c(c1)OCO2 ZINC000447797217 1030481294 /nfs/dbraw/zinc/48/12/94/1030481294.db2.gz HEAVZVUQBTVFJA-UHFFFAOYSA-N 1 2 330.331 3.523 20 0 EHADLO C[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccc2c(c1)OCO2 ZINC000447797217 1030481297 /nfs/dbraw/zinc/48/12/97/1030481297.db2.gz HEAVZVUQBTVFJA-UHFFFAOYSA-N 1 2 330.331 3.523 20 0 EHADLO Brc1cccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000447802069 1030485745 /nfs/dbraw/zinc/48/57/45/1030485745.db2.gz HABKXOWEDRCPRL-OAHLLOKOSA-N 1 2 332.245 3.925 20 0 EHADLO c1csc([C@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)CCO2)c1 ZINC000092595049 1030491515 /nfs/dbraw/zinc/49/15/15/1030491515.db2.gz WSJAINNEGITKMW-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO c1csc([C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)CCO2)c1 ZINC000092595049 1030491527 /nfs/dbraw/zinc/49/15/27/1030491527.db2.gz WSJAINNEGITKMW-OAHLLOKOSA-N 1 2 343.477 3.840 20 0 EHADLO COCC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C)o1 ZINC000447823695 1030501988 /nfs/dbraw/zinc/50/19/88/1030501988.db2.gz XPOCTUVVRQPEFM-INIZCTEOSA-N 1 2 325.412 3.846 20 0 EHADLO Cc1nc(N2CCC[C@H](Nc3cccc(Br)c3)C2)cc[nH+]1 ZINC000447808342 1030508024 /nfs/dbraw/zinc/50/80/24/1030508024.db2.gz WKEPDJMLFIZVCI-HNNXBMFYSA-N 1 2 347.260 3.628 20 0 EHADLO O=C(CCc1cc(Cl)cs1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343362875 1030519713 /nfs/dbraw/zinc/51/97/13/1030519713.db2.gz UQNOOCVUYYSMGT-UHFFFAOYSA-N 1 2 346.843 3.613 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(C(F)F)c1 ZINC000343367441 1030530421 /nfs/dbraw/zinc/53/04/21/1030530421.db2.gz HKVVKMHVTNGYSZ-UHFFFAOYSA-N 1 2 328.322 3.516 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCc3c1cccc3F)C2 ZINC000526989859 1030550055 /nfs/dbraw/zinc/55/00/55/1030550055.db2.gz BUBQSUWRRZACHH-LRDDRELGSA-N 1 2 341.430 3.581 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCc3c1cccc3F)CC2 ZINC000526989859 1030550066 /nfs/dbraw/zinc/55/00/66/1030550066.db2.gz BUBQSUWRRZACHH-LRDDRELGSA-N 1 2 341.430 3.581 20 0 EHADLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(c3c(F)cccc3F)CC2)n1 ZINC000447883275 1030561413 /nfs/dbraw/zinc/56/14/13/1030561413.db2.gz SAFCINKGINGCJC-LBPRGKRZSA-N 1 2 333.382 3.709 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCC(C(C)C)CC1)C2 ZINC000527013763 1030563880 /nfs/dbraw/zinc/56/38/80/1030563880.db2.gz BRUJVTXIXKUKGO-PCKAHOCUSA-N 1 2 331.504 3.969 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCC(C(C)C)CC1)CC2 ZINC000527013763 1030563884 /nfs/dbraw/zinc/56/38/84/1030563884.db2.gz BRUJVTXIXKUKGO-PCKAHOCUSA-N 1 2 331.504 3.969 20 0 EHADLO CCc1ccc(/C=C\c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)o1 ZINC000583732119 1030589028 /nfs/dbraw/zinc/58/90/28/1030589028.db2.gz NZWUHSAPYKXGCP-HJWRWDBZSA-N 1 2 334.379 3.942 20 0 EHADLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(Cl)c1 ZINC000343378117 1030589718 /nfs/dbraw/zinc/58/97/18/1030589718.db2.gz VBRBALINCZJAJR-ZDUSSCGKSA-N 1 2 340.814 3.722 20 0 EHADLO Cc1[nH+]cc(CN(C)Cc2nc3ccccc3n2C)n1-c1ccccc1 ZINC000093363990 1030590865 /nfs/dbraw/zinc/59/08/65/1030590865.db2.gz AOROUKMJWMNAPG-UHFFFAOYSA-N 1 2 345.450 3.699 20 0 EHADLO Cc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)n1 ZINC000093364221 1030594103 /nfs/dbraw/zinc/59/41/03/1030594103.db2.gz HVMBWJUGOJJBOU-SCLBCKFNSA-N 1 2 332.831 3.711 20 0 EHADLO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)n1 ZINC000093364221 1030594112 /nfs/dbraw/zinc/59/41/12/1030594112.db2.gz HVMBWJUGOJJBOU-SCLBCKFNSA-N 1 2 332.831 3.711 20 0 EHADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000332982049 1030596825 /nfs/dbraw/zinc/59/68/25/1030596825.db2.gz OYVADXNHJBGNRK-ROUUACIJSA-N 1 2 344.503 3.732 20 0 EHADLO CN(C)C(=O)C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000447931420 1030609651 /nfs/dbraw/zinc/60/96/51/1030609651.db2.gz OTVVGUSPWCASJH-HNNXBMFYSA-N 1 2 345.512 3.750 20 0 EHADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)c(OC)c3)CCO2)c1 ZINC000193876002 1030615232 /nfs/dbraw/zinc/61/52/32/1030615232.db2.gz LOPBRKLLUKDIAY-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)CCO2)c1 ZINC000193876002 1030615244 /nfs/dbraw/zinc/61/52/44/1030615244.db2.gz LOPBRKLLUKDIAY-FQEVSTJZSA-N 1 2 327.424 3.586 20 0 EHADLO CC(C)(C)n1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000093532634 1030626515 /nfs/dbraw/zinc/62/65/15/1030626515.db2.gz ZCIZZXMDAJCVIV-UHFFFAOYSA-N 1 2 343.315 3.955 20 0 EHADLO CC(C)(C)n1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000093532634 1030626526 /nfs/dbraw/zinc/62/65/26/1030626526.db2.gz ZCIZZXMDAJCVIV-UHFFFAOYSA-N 1 2 343.315 3.955 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCCC1(C)C ZINC000194166638 1030662684 /nfs/dbraw/zinc/66/26/84/1030662684.db2.gz GOXRQTODOVNZBI-SFHVURJKSA-N 1 2 344.499 3.982 20 0 EHADLO CCc1ccnc(-c2noc(CCc3[nH]c4c(cccc4C)[nH+]3)n2)c1 ZINC000482769007 1030709672 /nfs/dbraw/zinc/70/96/72/1030709672.db2.gz FSZXZZUEUUEURP-UHFFFAOYSA-N 1 2 333.395 3.664 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000527245696 1030735129 /nfs/dbraw/zinc/73/51/29/1030735129.db2.gz MIGDCAUOTZTACP-UHFFFAOYSA-N 1 2 340.427 3.721 20 0 EHADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000171343730 1030755500 /nfs/dbraw/zinc/75/55/00/1030755500.db2.gz FADSAGGIHGLYFL-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1nnc(-c3ccccc3)o1)CC2 ZINC000171343730 1030755520 /nfs/dbraw/zinc/75/55/20/1030755520.db2.gz FADSAGGIHGLYFL-AWEZNQCLSA-N 1 2 335.407 3.865 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc3ncsc3c2)c[nH+]1 ZINC000583795446 1030756936 /nfs/dbraw/zinc/75/69/36/1030756936.db2.gz HPABMXMNQDAUKT-CYBMUJFWSA-N 1 2 340.452 3.869 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2cc3ccccc3cc2O)c2ccccc2C1 ZINC000171480870 1030783333 /nfs/dbraw/zinc/78/33/33/1030783333.db2.gz HRHZGCWKNIEEKP-UHFFFAOYSA-N 1 2 332.403 3.638 20 0 EHADLO C[N@H+]1CCN(C(=O)c2cc3ccccc3cc2O)c2ccccc2C1 ZINC000171480870 1030783348 /nfs/dbraw/zinc/78/33/48/1030783348.db2.gz HRHZGCWKNIEEKP-UHFFFAOYSA-N 1 2 332.403 3.638 20 0 EHADLO Clc1cc(NCc2nnc(C3CC3)s2)ccc1-n1cc[nH+]c1 ZINC000892359186 1030786444 /nfs/dbraw/zinc/78/64/44/1030786444.db2.gz KNXGTJQYSZPMQY-UHFFFAOYSA-N 1 2 331.832 3.867 20 0 EHADLO Cc1cc(C[NH+]2CCC(C(F)(F)F)CC2)ncc1Br ZINC000628129610 1030791904 /nfs/dbraw/zinc/79/19/04/1030791904.db2.gz LMJQAZJWOJXMRK-UHFFFAOYSA-N 1 2 337.183 3.927 20 0 EHADLO CC[N@@H+](Cc1ccccn1)Cn1ncc2c1cccc2Br ZINC000176796206 1030829243 /nfs/dbraw/zinc/82/92/43/1030829243.db2.gz YVHPWUIEGNJXMA-UHFFFAOYSA-N 1 2 345.244 3.673 20 0 EHADLO CC[N@H+](Cc1ccccn1)Cn1ncc2c1cccc2Br ZINC000176796206 1030829264 /nfs/dbraw/zinc/82/92/64/1030829264.db2.gz YVHPWUIEGNJXMA-UHFFFAOYSA-N 1 2 345.244 3.673 20 0 EHADLO Fc1ccsc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000550982610 1030854724 /nfs/dbraw/zinc/85/47/24/1030854724.db2.gz RHXKAWQGWKYHLZ-AWEZNQCLSA-N 1 2 345.399 3.511 20 0 EHADLO Fc1ccsc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000550982610 1030854742 /nfs/dbraw/zinc/85/47/42/1030854742.db2.gz RHXKAWQGWKYHLZ-AWEZNQCLSA-N 1 2 345.399 3.511 20 0 EHADLO CN(C(=O)C[N@@H+]1CC[C@H]1c1ccccc1)c1nc2ccccc2s1 ZINC000482978635 1030876989 /nfs/dbraw/zinc/87/69/89/1030876989.db2.gz ZUZCRWFUFZGNCL-INIZCTEOSA-N 1 2 337.448 3.706 20 0 EHADLO CN(C(=O)C[N@H+]1CC[C@H]1c1ccccc1)c1nc2ccccc2s1 ZINC000482978635 1030877004 /nfs/dbraw/zinc/87/70/04/1030877004.db2.gz ZUZCRWFUFZGNCL-INIZCTEOSA-N 1 2 337.448 3.706 20 0 EHADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000115557163 1030882372 /nfs/dbraw/zinc/88/23/72/1030882372.db2.gz ZOIZQMJSRFLCSM-CYBMUJFWSA-N 1 2 333.407 3.937 20 0 EHADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115556950 1030882907 /nfs/dbraw/zinc/88/29/07/1030882907.db2.gz QUKLHPDUAMMZIN-GFCCVEGCSA-N 1 2 331.391 3.691 20 0 EHADLO O=C(NCc1cccc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097160530 1030901245 /nfs/dbraw/zinc/90/12/45/1030901245.db2.gz XYNYJQWBDRTUBW-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000483036938 1030920856 /nfs/dbraw/zinc/92/08/56/1030920856.db2.gz PPJSJZWGSOTCIH-SJLPKXTDSA-N 1 2 339.863 3.835 20 0 EHADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000483036938 1030920873 /nfs/dbraw/zinc/92/08/73/1030920873.db2.gz PPJSJZWGSOTCIH-SJLPKXTDSA-N 1 2 339.863 3.835 20 0 EHADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCCc1ccccc1 ZINC000151172275 1030937063 /nfs/dbraw/zinc/93/70/63/1030937063.db2.gz BZDZCYLMUSLWJP-LAUBAEHRSA-N 1 2 348.446 3.706 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000115985062 1030959199 /nfs/dbraw/zinc/95/91/99/1030959199.db2.gz SVOIJASULKSLBL-HUUCEWRRSA-N 1 2 339.345 3.893 20 0 EHADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)o1 ZINC000448369732 1031004597 /nfs/dbraw/zinc/00/45/97/1031004597.db2.gz BKSMCSCJLKQZMI-UHFFFAOYSA-N 1 2 329.327 3.755 20 0 EHADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000583880992 1031028559 /nfs/dbraw/zinc/02/85/59/1031028559.db2.gz OWDHBPRBJPKFIQ-SNVBAGLBSA-N 1 2 326.425 3.714 20 0 EHADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000583880992 1031028576 /nfs/dbraw/zinc/02/85/76/1031028576.db2.gz OWDHBPRBJPKFIQ-SNVBAGLBSA-N 1 2 326.425 3.714 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527638038 1031064568 /nfs/dbraw/zinc/06/45/68/1031064568.db2.gz DVWSNBDAIQNNMR-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO O=C(Nc1cccc(O)c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527638038 1031064585 /nfs/dbraw/zinc/06/45/85/1031064585.db2.gz DVWSNBDAIQNNMR-QGZVFWFLSA-N 1 2 330.815 3.649 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cnn(CC2CCC2)c1 ZINC000897375539 1031068557 /nfs/dbraw/zinc/06/85/57/1031068557.db2.gz XDOXJALYEGOWIU-HNNXBMFYSA-N 1 2 340.475 3.637 20 0 EHADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cnn(CC2CCC2)c1 ZINC000897375539 1031068578 /nfs/dbraw/zinc/06/85/78/1031068578.db2.gz XDOXJALYEGOWIU-HNNXBMFYSA-N 1 2 340.475 3.637 20 0 EHADLO NC(=O)c1cccc(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000116326457 1031101470 /nfs/dbraw/zinc/10/14/70/1031101470.db2.gz XYLGZGAAUOIXFF-KRWDZBQOSA-N 1 2 346.883 3.729 20 0 EHADLO NC(=O)c1cccc(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000116326457 1031101478 /nfs/dbraw/zinc/10/14/78/1031101478.db2.gz XYLGZGAAUOIXFF-KRWDZBQOSA-N 1 2 346.883 3.729 20 0 EHADLO Cc1cnc([C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)s1 ZINC000173615899 1031122857 /nfs/dbraw/zinc/12/28/57/1031122857.db2.gz MWDMTJVSFFSUNP-MRXNPFEDSA-N 1 2 338.436 3.518 20 0 EHADLO Cc1ccccc1C[C@@H](C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000527695922 1031129222 /nfs/dbraw/zinc/12/92/22/1031129222.db2.gz GKUFOCGBZSCXBR-QGZVFWFLSA-N 1 2 342.508 3.580 20 0 EHADLO Cc1cccn2cc(CCNC(=O)C[C@]34CCCC[C@H]3C4(F)F)[nH+]c12 ZINC000611795733 1031138140 /nfs/dbraw/zinc/13/81/40/1031138140.db2.gz RRTNAPHPMILXSV-CRAIPNDOSA-N 1 2 347.409 3.517 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483388034 1031143602 /nfs/dbraw/zinc/14/36/02/1031143602.db2.gz YNNVKMONQIDNOC-IIYDPXPESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483388034 1031143609 /nfs/dbraw/zinc/14/36/09/1031143609.db2.gz YNNVKMONQIDNOC-IIYDPXPESA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H]1CN(c2ccc(NCc3ccc4cc[nH]c4c3)c[nH+]2)C[C@H](C)O1 ZINC000527683916 1031150342 /nfs/dbraw/zinc/15/03/42/1031150342.db2.gz WPWVNNYDRYBQCY-GJZGRUSLSA-N 1 2 336.439 3.789 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C)c1ccc2ccccc2c1 ZINC000476990784 1031151969 /nfs/dbraw/zinc/15/19/69/1031151969.db2.gz MVLXEPJRPSTDET-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C)c1ccc2ccccc2c1 ZINC000476990784 1031151976 /nfs/dbraw/zinc/15/19/76/1031151976.db2.gz MVLXEPJRPSTDET-HZPDHXFCSA-N 1 2 340.467 3.516 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000158183290 1031156436 /nfs/dbraw/zinc/15/64/36/1031156436.db2.gz ISQXNWNGYDDOLY-KBAYOESNSA-N 1 2 346.858 3.657 20 0 EHADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000158183290 1031156444 /nfs/dbraw/zinc/15/64/44/1031156444.db2.gz ISQXNWNGYDDOLY-KBAYOESNSA-N 1 2 346.858 3.657 20 0 EHADLO C[C@H]1CC[N@H+](CCCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000174508172 1031226336 /nfs/dbraw/zinc/22/63/36/1031226336.db2.gz VQNPZINVCMJXSG-WMZOPIPTSA-N 1 2 347.480 3.917 20 0 EHADLO C[C@H]1CC[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000174508172 1031226352 /nfs/dbraw/zinc/22/63/52/1031226352.db2.gz VQNPZINVCMJXSG-WMZOPIPTSA-N 1 2 347.480 3.917 20 0 EHADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000174664475 1031240306 /nfs/dbraw/zinc/24/03/06/1031240306.db2.gz HWXXFVDGTPXODA-LLVKDONJSA-N 1 2 345.349 3.874 20 0 EHADLO C[C@H](CSCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000163107888 1031274899 /nfs/dbraw/zinc/27/48/99/1031274899.db2.gz KBXBCXQJHCNIHE-MRXNPFEDSA-N 1 2 343.496 3.569 20 0 EHADLO CCOc1ccc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000551404876 1031296391 /nfs/dbraw/zinc/29/63/91/1031296391.db2.gz CNSCNSCOUQYCKI-UHFFFAOYSA-N 1 2 344.377 3.688 20 0 EHADLO C[C@H](CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000527830315 1031296950 /nfs/dbraw/zinc/29/69/50/1031296950.db2.gz ZJPSZDUPNFKATQ-AEFFLSMTSA-N 1 2 344.503 3.518 20 0 EHADLO COc1ccc([C@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C2CC2)cn1 ZINC000527842160 1031317070 /nfs/dbraw/zinc/31/70/70/1031317070.db2.gz MJIYGGRCWLFWOI-CQSZACIVSA-N 1 2 343.374 3.806 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000175261387 1031319030 /nfs/dbraw/zinc/31/90/30/1031319030.db2.gz ZOCLEYWDJSTJDK-WCQYABFASA-N 1 2 335.860 3.561 20 0 EHADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000668269223 1031351913 /nfs/dbraw/zinc/35/19/13/1031351913.db2.gz GQIYACMRFLXPAV-FUHWJXTLSA-N 1 2 342.483 3.989 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000175882419 1031362411 /nfs/dbraw/zinc/36/24/11/1031362411.db2.gz VTGVCSWQBRFREB-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO Cc1cc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000175882419 1031362426 /nfs/dbraw/zinc/36/24/26/1031362426.db2.gz VTGVCSWQBRFREB-UHFFFAOYSA-N 1 2 346.858 3.898 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)c(F)cc2F)c1C ZINC000176209174 1031396539 /nfs/dbraw/zinc/39/65/39/1031396539.db2.gz WHHNEKGLZQXDQR-UHFFFAOYSA-N 1 2 334.366 3.566 20 0 EHADLO Cc1nc(-c2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)cs1 ZINC000158494054 1031397646 /nfs/dbraw/zinc/39/76/46/1031397646.db2.gz LRSZANCDXYAMHS-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO CCn1ncc(C[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000527922987 1031413032 /nfs/dbraw/zinc/41/30/32/1031413032.db2.gz ZOAQOOTVEASBCJ-MRXNPFEDSA-N 1 2 336.439 3.728 20 0 EHADLO COc1ncccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000176453338 1031440029 /nfs/dbraw/zinc/44/00/29/1031440029.db2.gz UTGQYEHKFLYJMS-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO COc1ncccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000176453338 1031440039 /nfs/dbraw/zinc/44/00/39/1031440039.db2.gz UTGQYEHKFLYJMS-UHFFFAOYSA-N 1 2 327.247 3.546 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000177046371 1031480524 /nfs/dbraw/zinc/48/05/24/1031480524.db2.gz FBOXOIURETZKJB-HNNXBMFYSA-N 1 2 341.377 3.772 20 0 EHADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000177046371 1031480532 /nfs/dbraw/zinc/48/05/32/1031480532.db2.gz FBOXOIURETZKJB-HNNXBMFYSA-N 1 2 341.377 3.772 20 0 EHADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1=C(c2ccccc2)CCC1 ZINC000448704225 1031486627 /nfs/dbraw/zinc/48/66/27/1031486627.db2.gz JOONWHXBHLYHDP-UHFFFAOYSA-N 1 2 347.462 3.804 20 0 EHADLO CCC(CC)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000667002819 1031491111 /nfs/dbraw/zinc/49/11/11/1031491111.db2.gz ZWJCEQBINSWRHA-CPUCHLNUSA-N 1 2 331.485 3.879 20 0 EHADLO CC(C)[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347418139 1031507207 /nfs/dbraw/zinc/50/72/07/1031507207.db2.gz AUTDHAYMBUFDIN-ZWKOTPCHSA-N 1 2 325.456 3.566 20 0 EHADLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448725772 1031514002 /nfs/dbraw/zinc/51/40/02/1031514002.db2.gz NEJHXAXWUUTBBV-DENIHFKCSA-N 1 2 349.478 3.666 20 0 EHADLO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347429914 1031517767 /nfs/dbraw/zinc/51/77/67/1031517767.db2.gz LVJRHQLFVAGRSU-IRXDYDNUSA-N 1 2 325.456 3.628 20 0 EHADLO C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC(C)(C)C1 ZINC000347429902 1031518707 /nfs/dbraw/zinc/51/87/07/1031518707.db2.gz LTYCUTLOCWIUPP-IXDOHACOSA-N 1 2 331.504 3.979 20 0 EHADLO c1csc(-c2noc(C[NH+]3CCC(OCC4CCCC4)CC3)n2)c1 ZINC000177496103 1031547115 /nfs/dbraw/zinc/54/71/15/1031547115.db2.gz CJMIEORIKJWRBV-UHFFFAOYSA-N 1 2 347.484 3.969 20 0 EHADLO CCC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347434143 1031575986 /nfs/dbraw/zinc/57/59/86/1031575986.db2.gz QRBGJXPOCOEYCY-QZTJIDSGSA-N 1 2 325.456 3.710 20 0 EHADLO c1ccc(CC[N@H+](Cc2noc(-c3ccccc3)n2)[C@H]2CCOC2)cc1 ZINC000084133826 1031576153 /nfs/dbraw/zinc/57/61/53/1031576153.db2.gz FDOCEJZKHFGNMO-IBGZPJMESA-N 1 2 349.434 3.570 20 0 EHADLO c1ccc(CC[N@@H+](Cc2noc(-c3ccccc3)n2)[C@H]2CCOC2)cc1 ZINC000084133826 1031576168 /nfs/dbraw/zinc/57/61/68/1031576168.db2.gz FDOCEJZKHFGNMO-IBGZPJMESA-N 1 2 349.434 3.570 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000347448390 1031614029 /nfs/dbraw/zinc/61/40/29/1031614029.db2.gz QRNRHZGFCYCUAL-KBPBESRZSA-N 1 2 347.409 3.598 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000472309978 1031642662 /nfs/dbraw/zinc/64/26/62/1031642662.db2.gz DQWHXKIMSJZUQL-KRWDZBQOSA-N 1 2 349.837 3.983 20 0 EHADLO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000472309978 1031642670 /nfs/dbraw/zinc/64/26/70/1031642670.db2.gz DQWHXKIMSJZUQL-KRWDZBQOSA-N 1 2 349.837 3.983 20 0 EHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CC)CC3)c2C1 ZINC000178161436 1031662160 /nfs/dbraw/zinc/66/21/60/1031662160.db2.gz IPCBZDDKAWYUDU-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CC)CC3)c2C1 ZINC000178161436 1031662168 /nfs/dbraw/zinc/66/21/68/1031662168.db2.gz IPCBZDDKAWYUDU-UHFFFAOYSA-N 1 2 337.467 3.533 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508635897 1031673267 /nfs/dbraw/zinc/67/32/67/1031673267.db2.gz ZRWZZOWZUVDAHU-OZVIIMIRSA-N 1 2 342.842 3.551 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508635897 1031673275 /nfs/dbraw/zinc/67/32/75/1031673275.db2.gz ZRWZZOWZUVDAHU-OZVIIMIRSA-N 1 2 342.842 3.551 20 0 EHADLO CCSCc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178381751 1031689611 /nfs/dbraw/zinc/68/96/11/1031689611.db2.gz NOZFOMAMHHRIQI-UHFFFAOYSA-N 1 2 325.437 3.517 20 0 EHADLO CC[C@H](C)c1ccc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000584094532 1031702182 /nfs/dbraw/zinc/70/21/82/1031702182.db2.gz HXLSZQRBSJTPFD-ZDUSSCGKSA-N 1 2 333.457 3.534 20 0 EHADLO CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)cc1OC ZINC000158903854 1031725615 /nfs/dbraw/zinc/72/56/15/1031725615.db2.gz WIBSVNYPNMPQLA-UHFFFAOYSA-N 1 2 341.411 3.694 20 0 EHADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168652 1031745699 /nfs/dbraw/zinc/74/56/99/1031745699.db2.gz CRMBODUAKQWINV-RKDXNWHRSA-N 1 2 333.297 3.655 20 0 EHADLO O[C@H]([C@H]1CCC[N@H+]1Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628168652 1031745711 /nfs/dbraw/zinc/74/57/11/1031745711.db2.gz CRMBODUAKQWINV-RKDXNWHRSA-N 1 2 333.297 3.655 20 0 EHADLO COc1ccc([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000117582557 1031758123 /nfs/dbraw/zinc/75/81/23/1031758123.db2.gz UJXWHJZMNAASGB-ZDUSSCGKSA-N 1 2 339.370 3.511 20 0 EHADLO Cc1cc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c(C)c[nH+]1 ZINC000551906132 1031763190 /nfs/dbraw/zinc/76/31/90/1031763190.db2.gz UASBGDHOQYITNX-UHFFFAOYSA-N 1 2 349.356 3.950 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)n1cc[nH+]c1 ZINC000635490833 1031790375 /nfs/dbraw/zinc/79/03/75/1031790375.db2.gz WHQVLQODRTTZRD-GUDVDZBRSA-N 1 2 341.455 3.507 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000086235328 1031813553 /nfs/dbraw/zinc/81/35/53/1031813553.db2.gz KHJWELPGGSEERH-KGLIPLIRSA-N 1 2 330.403 3.822 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1)c1ccc(F)cc1 ZINC000086235328 1031813566 /nfs/dbraw/zinc/81/35/66/1031813566.db2.gz KHJWELPGGSEERH-KGLIPLIRSA-N 1 2 330.403 3.822 20 0 EHADLO O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117750281 1031847033 /nfs/dbraw/zinc/84/70/33/1031847033.db2.gz NMSWXTAUKLWZDU-KGLIPLIRSA-N 1 2 337.345 3.723 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)nc21 ZINC000584181589 1031884867 /nfs/dbraw/zinc/88/48/67/1031884867.db2.gz CBNSFDFIABLNLY-VIFPVBQESA-N 1 2 334.832 3.799 20 0 EHADLO Cc1ccc(Cl)c2sc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)nc21 ZINC000584181589 1031884884 /nfs/dbraw/zinc/88/48/84/1031884884.db2.gz CBNSFDFIABLNLY-VIFPVBQESA-N 1 2 334.832 3.799 20 0 EHADLO Cc1[nH+]c(N)ccc1-c1noc(-c2cnc(CC(C)(C)C)s2)n1 ZINC000904264749 1031890153 /nfs/dbraw/zinc/89/01/53/1031890153.db2.gz PHJNTJUKXMUHRL-UHFFFAOYSA-N 1 2 329.429 3.734 20 0 EHADLO CSc1ccc(CCCc2nc(-c3ccc(N)[nH+]c3C)no2)cc1 ZINC000904263099 1031890858 /nfs/dbraw/zinc/89/08/58/1031890858.db2.gz QLSUABWANIQZTG-UHFFFAOYSA-N 1 2 340.452 3.919 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc(/C=C\c2cnc(C(C)(C)C)s2)n1 ZINC000904265765 1031892808 /nfs/dbraw/zinc/89/28/08/1031892808.db2.gz QOJBSIRCMXHEML-WAYWQWQTSA-N 1 2 341.440 3.947 20 0 EHADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2[C@@H]3c4cccc(Cl)c4C[C@@H]32)n1 ZINC000904265080 1031893375 /nfs/dbraw/zinc/89/33/75/1031893375.db2.gz FUTUOAOOVXRQEK-IUIKQTSFSA-N 1 2 338.798 3.729 20 0 EHADLO Cc1c([C@H](C)[NH2+]Cc2csc(CCc3ccccc3)n2)cnn1C ZINC000180730977 1031904024 /nfs/dbraw/zinc/90/40/24/1031904024.db2.gz AAEHKDPEGMCYQF-AWEZNQCLSA-N 1 2 340.496 3.821 20 0 EHADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000347475511 1031977161 /nfs/dbraw/zinc/97/71/61/1031977161.db2.gz XRLOENGBMOPNDC-DOTOQJQBSA-N 1 2 341.455 3.617 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387285 1031983517 /nfs/dbraw/zinc/98/35/17/1031983517.db2.gz RGEGIJCWNDGZBN-SUMWQHHRSA-N 1 2 328.435 3.805 20 0 EHADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181387285 1031983524 /nfs/dbraw/zinc/98/35/24/1031983524.db2.gz RGEGIJCWNDGZBN-SUMWQHHRSA-N 1 2 328.435 3.805 20 0 EHADLO CCn1nccc1C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000181570053 1032005707 /nfs/dbraw/zinc/00/57/07/1032005707.db2.gz PQVHPPLREMLLDB-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO CCn1nccc1C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000181570053 1032005719 /nfs/dbraw/zinc/00/57/19/1032005719.db2.gz PQVHPPLREMLLDB-UHFFFAOYSA-N 1 2 344.509 3.955 20 0 EHADLO CC(C)C[N@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1F ZINC000449014285 1032021224 /nfs/dbraw/zinc/02/12/24/1032021224.db2.gz PFRRIOOOBFNGRD-UHFFFAOYSA-N 1 2 349.471 3.887 20 0 EHADLO CC(C)C[N@@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1F ZINC000449014285 1032021240 /nfs/dbraw/zinc/02/12/40/1032021240.db2.gz PFRRIOOOBFNGRD-UHFFFAOYSA-N 1 2 349.471 3.887 20 0 EHADLO CC[C@@]1(C)CCC[N@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000173425081 1033297204 /nfs/dbraw/zinc/29/72/04/1033297204.db2.gz NUVCCEBDSFAQTP-INIZCTEOSA-N 1 2 325.526 3.531 20 0 EHADLO CC[C@@]1(C)CCC[N@@H+](Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000173425081 1033297213 /nfs/dbraw/zinc/29/72/13/1033297213.db2.gz NUVCCEBDSFAQTP-INIZCTEOSA-N 1 2 325.526 3.531 20 0 EHADLO CC[C@]1(C)CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000173426413 1033303985 /nfs/dbraw/zinc/30/39/85/1033303985.db2.gz UXVQWAKOXUDWCG-GOSISDBHSA-N 1 2 345.516 3.521 20 0 EHADLO CC[C@]1(C)CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000173426413 1033303999 /nfs/dbraw/zinc/30/39/99/1033303999.db2.gz UXVQWAKOXUDWCG-GOSISDBHSA-N 1 2 345.516 3.521 20 0 EHADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000761059561 1033321190 /nfs/dbraw/zinc/32/11/90/1033321190.db2.gz XFWWUMRHGODBNH-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000761059561 1033321204 /nfs/dbraw/zinc/32/12/04/1033321204.db2.gz XFWWUMRHGODBNH-JTQLQIEISA-N 1 2 331.725 3.774 20 0 EHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F ZINC000761060062 1033333604 /nfs/dbraw/zinc/33/36/04/1033333604.db2.gz YLIXSJXUCDBGAK-VIFPVBQESA-N 1 2 340.267 3.528 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F ZINC000761060062 1033333607 /nfs/dbraw/zinc/33/36/07/1033333607.db2.gz YLIXSJXUCDBGAK-VIFPVBQESA-N 1 2 340.267 3.528 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001142538320 1033355609 /nfs/dbraw/zinc/35/56/09/1033355609.db2.gz GCTACSPGFVZXHD-QMTHXVAHSA-N 1 2 334.769 3.755 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001142538320 1033355621 /nfs/dbraw/zinc/35/56/21/1033355621.db2.gz GCTACSPGFVZXHD-QMTHXVAHSA-N 1 2 334.769 3.755 20 0 EHADLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120119418 1033378037 /nfs/dbraw/zinc/37/80/37/1033378037.db2.gz PPYYYPHFEBKVOB-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120119418 1033378045 /nfs/dbraw/zinc/37/80/45/1033378045.db2.gz PPYYYPHFEBKVOB-AWEZNQCLSA-N 1 2 342.414 3.877 20 0 EHADLO CC(C)(C(=O)NCCCCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000607907436 1033401165 /nfs/dbraw/zinc/40/11/65/1033401165.db2.gz UDXDKADPLRYIPP-UHFFFAOYSA-N 1 2 335.451 3.911 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120168050 1033407828 /nfs/dbraw/zinc/40/78/28/1033407828.db2.gz RSKIYVYMYBJBGV-QGZVFWFLSA-N 1 2 349.862 3.536 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120168050 1033407833 /nfs/dbraw/zinc/40/78/33/1033407833.db2.gz RSKIYVYMYBJBGV-QGZVFWFLSA-N 1 2 349.862 3.536 20 0 EHADLO COc1ccc([C@@H](C)CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151944564 1033423080 /nfs/dbraw/zinc/42/30/80/1033423080.db2.gz YVMWMXXYBXICNC-INIZCTEOSA-N 1 2 349.434 3.805 20 0 EHADLO CC(C)CCOc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655725835 1033433679 /nfs/dbraw/zinc/43/36/79/1033433679.db2.gz ZKKKVAVVEWOIGP-UHFFFAOYSA-N 1 2 327.472 3.934 20 0 EHADLO OCCCCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000173629021 1033439927 /nfs/dbraw/zinc/43/99/27/1033439927.db2.gz WMFWDPBXHTYFOB-KRWDZBQOSA-N 1 2 329.843 3.795 20 0 EHADLO OCCCCCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000173629021 1033439932 /nfs/dbraw/zinc/43/99/32/1033439932.db2.gz WMFWDPBXHTYFOB-KRWDZBQOSA-N 1 2 329.843 3.795 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(C(F)(F)F)CCC2)n1 ZINC000898312976 1033449608 /nfs/dbraw/zinc/44/96/08/1033449608.db2.gz QRJKWUHRPXEVDA-UHFFFAOYSA-N 1 2 335.395 3.656 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@@](=O)C[C@@H](C)C3)s2)cc1C ZINC000594614303 1033479792 /nfs/dbraw/zinc/47/97/92/1033479792.db2.gz LPTINRKBZWAHCY-ZAMGYDSWSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@@](=O)C[C@@H](C)C3)s2)cc1C ZINC000594614303 1033479802 /nfs/dbraw/zinc/47/98/02/1033479802.db2.gz LPTINRKBZWAHCY-ZAMGYDSWSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1ccc(-c2ncc(C[N@@H+]3CC[S@](=O)C[C@@H](C)C3)s2)cc1C ZINC000594614302 1033480498 /nfs/dbraw/zinc/48/04/98/1033480498.db2.gz LPTINRKBZWAHCY-NPMABZOXSA-N 1 2 348.537 3.627 20 0 EHADLO Cc1ccc(-c2ncc(C[N@H+]3CC[S@](=O)C[C@@H](C)C3)s2)cc1C ZINC000594614302 1033480502 /nfs/dbraw/zinc/48/05/02/1033480502.db2.gz LPTINRKBZWAHCY-NPMABZOXSA-N 1 2 348.537 3.627 20 0 EHADLO O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH+]ccn21 ZINC000460328939 1033489412 /nfs/dbraw/zinc/48/94/12/1033489412.db2.gz BFOHSIYGQXUSPP-UHFFFAOYSA-N 1 2 349.312 3.804 20 0 EHADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccnc2ccccc12 ZINC000594711375 1033500674 /nfs/dbraw/zinc/50/06/74/1033500674.db2.gz MGSRMHSZUQNYKX-NRFANRHFSA-N 1 2 348.446 3.541 20 0 EHADLO Cn1c[nH+]c(CCNC(=O)Nc2cccc(C3CCCCC3)c2)c1 ZINC000529156432 1033504743 /nfs/dbraw/zinc/50/47/43/1033504743.db2.gz RTLMNGOHHRMMKF-UHFFFAOYSA-N 1 2 326.444 3.832 20 0 EHADLO CCC(C)(C)N(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669675759 1033535114 /nfs/dbraw/zinc/53/51/14/1033535114.db2.gz VKCJSWLKCUDSHN-HNNXBMFYSA-N 1 2 332.492 3.639 20 0 EHADLO O=C(CCOc1ccccc1-c1ccccc1)N[C@@H]1CCn2c[nH+]cc21 ZINC001168293079 1033541534 /nfs/dbraw/zinc/54/15/34/1033541534.db2.gz LINCLKOAMAUEAG-GOSISDBHSA-N 1 2 347.418 3.580 20 0 EHADLO Cc1nc(C)c(C[NH+]2CCN([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000685561011 1033566261 /nfs/dbraw/zinc/56/62/61/1033566261.db2.gz SQOCIEYVJNXXCJ-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO Cc1nc(C)c(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000685561011 1033566271 /nfs/dbraw/zinc/56/62/71/1033566271.db2.gz SQOCIEYVJNXXCJ-CQSZACIVSA-N 1 2 333.863 3.824 20 0 EHADLO CC(C)(C)c1cnc(NC(=O)NCC[NH+]2Cc3ccccc3C2)s1 ZINC000608333385 1033608145 /nfs/dbraw/zinc/60/81/45/1033608145.db2.gz BAMJVVOGFSWYMI-UHFFFAOYSA-N 1 2 344.484 3.578 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)F)nc2)s1 ZINC000595045037 1033663550 /nfs/dbraw/zinc/66/35/50/1033663550.db2.gz QIQDOHRFFLIUSG-RKDXNWHRSA-N 1 2 341.383 3.674 20 0 EHADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000595094007 1033700077 /nfs/dbraw/zinc/70/00/77/1033700077.db2.gz RXNAKQCRYTVAAY-SECBINFHSA-N 1 2 343.301 3.658 20 0 EHADLO CC(C)c1ccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000550611129 1033728800 /nfs/dbraw/zinc/72/88/00/1033728800.db2.gz XQEMCJMFVSFDLC-KRWDZBQOSA-N 1 2 326.469 3.911 20 0 EHADLO CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105692 1033729791 /nfs/dbraw/zinc/72/97/91/1033729791.db2.gz MSJFOGAVLGTAOG-UHFFFAOYSA-N 1 2 339.370 3.808 20 0 EHADLO CCc1cnc(C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)o1 ZINC000608561042 1033761067 /nfs/dbraw/zinc/76/10/67/1033761067.db2.gz CTMRWWVCUXICJK-OAHLLOKOSA-N 1 2 325.456 3.653 20 0 EHADLO CC1(C)CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000608578229 1033771436 /nfs/dbraw/zinc/77/14/36/1033771436.db2.gz XTDPCSXTFWDUKR-UHFFFAOYSA-N 1 2 325.334 3.586 20 0 EHADLO CC1(C)CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000608578229 1033771453 /nfs/dbraw/zinc/77/14/53/1033771453.db2.gz XTDPCSXTFWDUKR-UHFFFAOYSA-N 1 2 325.334 3.586 20 0 EHADLO CC(C)CC[C@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608616548 1033782350 /nfs/dbraw/zinc/78/23/50/1033782350.db2.gz WORVQPMNRQQLTF-WMZOPIPTSA-N 1 2 342.487 3.828 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450158340 1033824055 /nfs/dbraw/zinc/82/40/55/1033824055.db2.gz JKKNGRGAFHHUOC-GOEBONIOSA-N 1 2 349.837 3.718 20 0 EHADLO C[C@H]1CC[C@H](NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608675508 1033828355 /nfs/dbraw/zinc/82/83/55/1033828355.db2.gz FSQYZEHXGSVDNB-SZMVWBNQSA-N 1 2 340.471 3.582 20 0 EHADLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000046815408 1033857585 /nfs/dbraw/zinc/85/75/85/1033857585.db2.gz GMAATADOWNXMIA-STQMWFEESA-N 1 2 342.443 3.953 20 0 EHADLO Cc1ccc(C)c(OCCC[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608748176 1033859453 /nfs/dbraw/zinc/85/94/53/1033859453.db2.gz JAWNCIIVCMPRAP-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO Cc1ccc(C)c(OCCC[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000608748176 1033859469 /nfs/dbraw/zinc/85/94/69/1033859469.db2.gz JAWNCIIVCMPRAP-HOCLYGCPSA-N 1 2 331.378 3.724 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(NCc3ccc(=O)[nH]c3)ccc21 ZINC001168309047 1033860891 /nfs/dbraw/zinc/86/08/91/1033860891.db2.gz XRCGECATSINOOD-UHFFFAOYSA-N 1 2 346.390 3.747 20 0 EHADLO CC(C)(C)Oc1c(F)cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000575126483 1033866888 /nfs/dbraw/zinc/86/68/88/1033866888.db2.gz FZCPVMKKDZOHTI-NSHDSACASA-N 1 2 349.381 3.540 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(C2CCCCC2)nn1C)n1cc[nH+]c1 ZINC000635698375 1033882565 /nfs/dbraw/zinc/88/25/65/1033882565.db2.gz JEYIPVAKIQTYLA-QGZVFWFLSA-N 1 2 343.475 3.890 20 0 EHADLO CCN(Cc1ccoc1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000608839737 1033911323 /nfs/dbraw/zinc/91/13/23/1033911323.db2.gz ZGXGPTYMKOLTQF-UHFFFAOYSA-N 1 2 343.452 3.518 20 0 EHADLO COC(=O)C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450216918 1033918450 /nfs/dbraw/zinc/91/84/50/1033918450.db2.gz OQTLYZWKTAIVRY-UHFFFAOYSA-N 1 2 338.329 3.643 20 0 EHADLO CC(C)C(NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000669767082 1033922305 /nfs/dbraw/zinc/92/23/05/1033922305.db2.gz GWGYBZNDFNLTCL-INIZCTEOSA-N 1 2 346.519 3.789 20 0 EHADLO CC(C)Oc1cccc(C[N@H+](C)Cc2nc(-c3ccoc3)no2)c1 ZINC000120552956 1033922895 /nfs/dbraw/zinc/92/28/95/1033922895.db2.gz XNBGNQBTTGPHJA-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nc(-c3ccoc3)no2)c1 ZINC000120552956 1033922905 /nfs/dbraw/zinc/92/29/05/1033922905.db2.gz XNBGNQBTTGPHJA-UHFFFAOYSA-N 1 2 327.384 3.749 20 0 EHADLO O=C(CCOc1ccc(F)cc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000603808842 1033939973 /nfs/dbraw/zinc/93/99/73/1033939973.db2.gz JQCZMWNRJKWHLT-UHFFFAOYSA-N 1 2 333.750 3.534 20 0 EHADLO CCOc1c(Cl)cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000603809066 1033940271 /nfs/dbraw/zinc/94/02/71/1033940271.db2.gz ZBBGRWKSNIGBMS-UHFFFAOYSA-N 1 2 345.786 3.647 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCCCc2ccccc21 ZINC000537607376 1033968908 /nfs/dbraw/zinc/96/89/08/1033968908.db2.gz LFWNLRCYCXTOGC-UHFFFAOYSA-N 1 2 332.407 3.641 20 0 EHADLO Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1Cl ZINC000450246878 1033986304 /nfs/dbraw/zinc/98/63/04/1033986304.db2.gz SBADSMQVQCUDPY-NSHDSACASA-N 1 2 338.238 3.665 20 0 EHADLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccn(CC(F)(F)F)n1 ZINC000450249311 1033987857 /nfs/dbraw/zinc/98/78/57/1033987857.db2.gz XLSOPVJGYRCLPK-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccn(CC(F)(F)F)n1 ZINC000450249311 1033987870 /nfs/dbraw/zinc/98/78/70/1033987870.db2.gz XLSOPVJGYRCLPK-UHFFFAOYSA-N 1 2 347.768 3.610 20 0 EHADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)o1 ZINC000599535485 1033996371 /nfs/dbraw/zinc/99/63/71/1033996371.db2.gz OEIDQSNIXROFKF-UHFFFAOYSA-N 1 2 330.409 3.701 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1csc(-c2ccc(F)cc2)n1 ZINC000603886024 1034011948 /nfs/dbraw/zinc/01/19/48/1034011948.db2.gz VPKWLRIDLFXAQV-UHFFFAOYSA-N 1 2 338.367 3.849 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450270171 1034021079 /nfs/dbraw/zinc/02/10/79/1034021079.db2.gz LVNJJFZCODGHOR-OAHLLOKOSA-N 1 2 348.853 3.688 20 0 EHADLO Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450270171 1034021096 /nfs/dbraw/zinc/02/10/96/1034021096.db2.gz LVNJJFZCODGHOR-OAHLLOKOSA-N 1 2 348.853 3.688 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026808 1034063001 /nfs/dbraw/zinc/06/30/01/1034063001.db2.gz XKKWTFHGVAXVHQ-PJSAGSTRSA-N 1 2 334.410 3.573 20 0 EHADLO C[C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000456026808 1034063015 /nfs/dbraw/zinc/06/30/15/1034063015.db2.gz XKKWTFHGVAXVHQ-PJSAGSTRSA-N 1 2 334.410 3.573 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000603945097 1034065896 /nfs/dbraw/zinc/06/58/96/1034065896.db2.gz ZHZGZYQAOUQFFZ-IBGZPJMESA-N 1 2 347.466 3.789 20 0 EHADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000603945097 1034065912 /nfs/dbraw/zinc/06/59/12/1034065912.db2.gz ZHZGZYQAOUQFFZ-IBGZPJMESA-N 1 2 347.466 3.789 20 0 EHADLO CCN(CCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895755 1034073477 /nfs/dbraw/zinc/07/34/77/1034073477.db2.gz VIMSBRMFNIULCH-UHFFFAOYSA-N 1 2 348.450 3.647 20 0 EHADLO Cc1ccc(CCCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120729571 1034088404 /nfs/dbraw/zinc/08/84/04/1034088404.db2.gz DSOOJQJNIVNSRT-LJQANCHMSA-N 1 2 339.483 3.533 20 0 EHADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000658237613 1034105286 /nfs/dbraw/zinc/10/52/86/1034105286.db2.gz NQQQTAKEJNSLGL-CYBMUJFWSA-N 1 2 347.484 3.662 20 0 EHADLO CCCO[C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)CC1 ZINC000529526653 1034105928 /nfs/dbraw/zinc/10/59/28/1034105928.db2.gz HATLOYOBKKXPBE-ZDUSSCGKSA-N 1 2 345.256 3.764 20 0 EHADLO CCCO[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)CC1 ZINC000529526653 1034105939 /nfs/dbraw/zinc/10/59/39/1034105939.db2.gz HATLOYOBKKXPBE-ZDUSSCGKSA-N 1 2 345.256 3.764 20 0 EHADLO COC(=O)Cc1cc[nH+]c(NCc2ccc(C)cc2OC(C)(C)C)c1 ZINC000596157323 1034112102 /nfs/dbraw/zinc/11/21/02/1034112102.db2.gz YKBHBGMQZNHNMK-UHFFFAOYSA-N 1 2 342.439 3.895 20 0 EHADLO CCS[C@@H](C)c1noc(CN(C)c2[nH+]ccc3c(N)cccc32)n1 ZINC000596166954 1034116416 /nfs/dbraw/zinc/11/64/16/1034116416.db2.gz ZZMMBOKUVMVECP-NSHDSACASA-N 1 2 343.456 3.651 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(Br)c2)[C@@H](C)C1 ZINC000599712834 1034120291 /nfs/dbraw/zinc/12/02/91/1034120291.db2.gz XNDZUXOYSDSZPW-PEGIJTEDSA-N 1 2 346.290 3.673 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc(Br)c2)[C@@H](C)C1 ZINC000599712834 1034120298 /nfs/dbraw/zinc/12/02/98/1034120298.db2.gz XNDZUXOYSDSZPW-PEGIJTEDSA-N 1 2 346.290 3.673 20 0 EHADLO CCc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000534123766 1034146680 /nfs/dbraw/zinc/14/66/80/1034146680.db2.gz FUMDDNCQXNIMNS-BBRMVZONSA-N 1 2 349.887 3.534 20 0 EHADLO CCc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000534123766 1034146685 /nfs/dbraw/zinc/14/66/85/1034146685.db2.gz FUMDDNCQXNIMNS-BBRMVZONSA-N 1 2 349.887 3.534 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000450348574 1034159106 /nfs/dbraw/zinc/15/91/06/1034159106.db2.gz SAHRXKYTADAHHE-XMCHAPAWSA-N 1 2 347.405 3.503 20 0 EHADLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000450348574 1034159111 /nfs/dbraw/zinc/15/91/11/1034159111.db2.gz SAHRXKYTADAHHE-XMCHAPAWSA-N 1 2 347.405 3.503 20 0 EHADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000310053404 1034206556 /nfs/dbraw/zinc/20/65/56/1034206556.db2.gz OWJVZBOBFUVHQG-INIZCTEOSA-N 1 2 328.416 3.534 20 0 EHADLO COc1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)c1C ZINC000658353602 1034236308 /nfs/dbraw/zinc/23/63/08/1034236308.db2.gz NRQKLFOYUXIIGQ-LJQANCHMSA-N 1 2 339.414 3.755 20 0 EHADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1F ZINC000089117629 1034258929 /nfs/dbraw/zinc/25/89/29/1034258929.db2.gz FPMJXEUZXAGFID-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO COC(=O)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1F ZINC000089117629 1034258943 /nfs/dbraw/zinc/25/89/43/1034258943.db2.gz FPMJXEUZXAGFID-IFXJQAMLSA-N 1 2 343.398 3.574 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C\c1ccccc1 ZINC000255712617 1034262077 /nfs/dbraw/zinc/26/20/77/1034262077.db2.gz FMSZTMJNGWEJIK-QXMHVHEDSA-N 1 2 349.478 3.860 20 0 EHADLO C[C@H](O)C[C@H](C)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450434780 1034322100 /nfs/dbraw/zinc/32/21/00/1034322100.db2.gz HCMCNSJLPBIGAV-IUCAKERBSA-N 1 2 327.197 3.708 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C ZINC000596592975 1034309443 /nfs/dbraw/zinc/30/94/43/1034309443.db2.gz OCJLCCOUAZWVEB-GUYCJALGSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C ZINC000596592975 1034309453 /nfs/dbraw/zinc/30/94/53/1034309453.db2.gz OCJLCCOUAZWVEB-GUYCJALGSA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1C ZINC000596592973 1034309482 /nfs/dbraw/zinc/30/94/82/1034309482.db2.gz OCJLCCOUAZWVEB-CXAGYDPISA-N 1 2 328.412 3.914 20 0 EHADLO COC(=O)c1oc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1C ZINC000596592973 1034309496 /nfs/dbraw/zinc/30/94/96/1034309496.db2.gz OCJLCCOUAZWVEB-CXAGYDPISA-N 1 2 328.412 3.914 20 0 EHADLO COc1c(Cl)cc(C[NH+]2CC([C@@H](C)OC)C2)cc1Br ZINC001231730641 1034391164 /nfs/dbraw/zinc/39/11/64/1034391164.db2.gz SSJNGTVABVKTPK-SECBINFHSA-N 1 2 348.668 3.578 20 0 EHADLO CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000534343078 1034414065 /nfs/dbraw/zinc/41/40/65/1034414065.db2.gz RJRFXFRIWBCKGY-LJQANCHMSA-N 1 2 337.471 3.907 20 0 EHADLO CCCn1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cn1 ZINC000534343078 1034414072 /nfs/dbraw/zinc/41/40/72/1034414072.db2.gz RJRFXFRIWBCKGY-LJQANCHMSA-N 1 2 337.471 3.907 20 0 EHADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000604599809 1034419833 /nfs/dbraw/zinc/41/98/33/1034419833.db2.gz HQBOMCADGDXUQQ-LJQANCHMSA-N 1 2 346.434 3.571 20 0 EHADLO FC(F)(F)CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)CC1CC1 ZINC000450491730 1034421663 /nfs/dbraw/zinc/42/16/63/1034421663.db2.gz XWMIUIAWRVDMNT-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO FC(F)(F)CC[N@H+](Cc1ccn(CC(F)(F)F)n1)CC1CC1 ZINC000450491730 1034421675 /nfs/dbraw/zinc/42/16/75/1034421675.db2.gz XWMIUIAWRVDMNT-UHFFFAOYSA-N 1 2 329.288 3.610 20 0 EHADLO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000604669630 1034448670 /nfs/dbraw/zinc/44/86/70/1034448670.db2.gz SURYMZDMLSAQRS-IRXDYDNUSA-N 1 2 326.444 3.608 20 0 EHADLO CC1=C(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394486 1034473474 /nfs/dbraw/zinc/47/34/74/1034473474.db2.gz JYAKDJAAEGSCPG-IRXDYDNUSA-N 1 2 336.838 3.841 20 0 EHADLO CC1=C(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000534394486 1034473482 /nfs/dbraw/zinc/47/34/82/1034473482.db2.gz JYAKDJAAEGSCPG-IRXDYDNUSA-N 1 2 336.838 3.841 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(COC)cs1 ZINC000597007030 1034489197 /nfs/dbraw/zinc/48/91/97/1034489197.db2.gz JAPUOTLJFGXFQY-GOSISDBHSA-N 1 2 347.480 3.501 20 0 EHADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(COC)cs1 ZINC000597007030 1034489208 /nfs/dbraw/zinc/48/92/08/1034489208.db2.gz JAPUOTLJFGXFQY-GOSISDBHSA-N 1 2 347.480 3.501 20 0 EHADLO COC[C@]1(C)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000450604733 1034556474 /nfs/dbraw/zinc/55/64/74/1034556474.db2.gz LZVVSMCYZBQMNN-MRXNPFEDSA-N 1 2 335.245 3.860 20 0 EHADLO CCCC[C@H](CC)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000604940892 1034556608 /nfs/dbraw/zinc/55/66/08/1034556608.db2.gz ADKJVHROHXBTEE-SFHVURJKSA-N 1 2 345.531 3.979 20 0 EHADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456560179 1034558431 /nfs/dbraw/zinc/55/84/31/1034558431.db2.gz JSMUWUXSBUPMQW-SFHVURJKSA-N 1 2 333.391 3.833 20 0 EHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000450641550 1034607927 /nfs/dbraw/zinc/60/79/27/1034607927.db2.gz HOSDNRFRECBQFY-HIFRSBDPSA-N 1 2 342.455 3.779 20 0 EHADLO Cc1cc(C)c(CNC(=O)N2CC(c3ccccc3)(C(C)C)C2)c[nH+]1 ZINC000413611775 1034612894 /nfs/dbraw/zinc/61/28/94/1034612894.db2.gz XLQGPRWFGHWDKI-UHFFFAOYSA-N 1 2 337.467 3.818 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000450653941 1034642874 /nfs/dbraw/zinc/64/28/74/1034642874.db2.gz WLZZHUNOZJIEDY-LBPRGKRZSA-N 1 2 330.444 3.635 20 0 EHADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC000450655424 1034648068 /nfs/dbraw/zinc/64/80/68/1034648068.db2.gz XBOPNPHDMJBARQ-QGZVFWFLSA-N 1 2 335.451 3.985 20 0 EHADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000605155180 1034654670 /nfs/dbraw/zinc/65/46/70/1034654670.db2.gz KRSQFSGTCCLNHE-KRWDZBQOSA-N 1 2 348.418 3.693 20 0 EHADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000605155180 1034654678 /nfs/dbraw/zinc/65/46/78/1034654678.db2.gz KRSQFSGTCCLNHE-KRWDZBQOSA-N 1 2 348.418 3.693 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)s1 ZINC000375858458 1034747541 /nfs/dbraw/zinc/74/75/41/1034747541.db2.gz GKHNRFLQTKWDQO-UHFFFAOYSA-N 1 2 331.485 3.817 20 0 EHADLO Cc1cc(CCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)s1 ZINC000375858458 1034747552 /nfs/dbraw/zinc/74/75/52/1034747552.db2.gz GKHNRFLQTKWDQO-UHFFFAOYSA-N 1 2 331.485 3.817 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3occc3s2)c1C ZINC000605506606 1034757543 /nfs/dbraw/zinc/75/75/43/1034757543.db2.gz IGENVIOBYVNJAV-UHFFFAOYSA-N 1 2 330.409 3.787 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000728611471 1034759201 /nfs/dbraw/zinc/75/92/01/1034759201.db2.gz HZBVHSFGYARIIO-QAPCUYQASA-N 1 2 343.471 3.616 20 0 EHADLO Cc1cc(C)c(CNC(=O)c2cc(Cl)ccc2OC(F)F)c[nH+]1 ZINC000456846764 1034765815 /nfs/dbraw/zinc/76/58/15/1034765815.db2.gz TWUSKCOTAKNOQI-UHFFFAOYSA-N 1 2 340.757 3.883 20 0 EHADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c[nH+]1 ZINC000456836885 1034780613 /nfs/dbraw/zinc/78/06/13/1034780613.db2.gz BMSVZMOJUGIRJU-CQSZACIVSA-N 1 2 332.831 3.744 20 0 EHADLO Cc1cccc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000605572144 1034787146 /nfs/dbraw/zinc/78/71/46/1034787146.db2.gz QYUJZDMWVLRCCJ-UHFFFAOYSA-N 1 2 349.400 3.727 20 0 EHADLO CCCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000534682443 1034794343 /nfs/dbraw/zinc/79/43/43/1034794343.db2.gz UBHSHOLFBABHJI-UHFFFAOYSA-N 1 2 329.425 3.625 20 0 EHADLO C[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C[C@H]1n1cc[nH+]c1 ZINC000612349036 1034824053 /nfs/dbraw/zinc/82/40/53/1034824053.db2.gz BAGZJPHAWUYOGD-HGHGUNKESA-N 1 2 337.467 3.661 20 0 EHADLO C[C@@H]1CCN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)C[C@H]1n1cc[nH+]c1 ZINC000612347933 1034824209 /nfs/dbraw/zinc/82/42/09/1034824209.db2.gz UAOOOSPUAMIGOG-KCYZZUKISA-N 1 2 337.414 3.508 20 0 EHADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000601930366 1034826637 /nfs/dbraw/zinc/82/66/37/1034826637.db2.gz HROMONLEQYGGCW-UWVGGRQHSA-N 1 2 342.317 3.892 20 0 EHADLO CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000530035029 1034887357 /nfs/dbraw/zinc/88/73/57/1034887357.db2.gz HDZQVSKWQJKXGM-QGZVFWFLSA-N 1 2 329.419 3.597 20 0 EHADLO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000450892200 1034920167 /nfs/dbraw/zinc/92/01/67/1034920167.db2.gz NAMKKVMKLNQXHP-LBPRGKRZSA-N 1 2 327.457 3.594 20 0 EHADLO Cc1cc(C)c(NC(=O)N2CC[C@H](Oc3ccccc3)C2)c(C)[nH+]1 ZINC000569966972 1034925306 /nfs/dbraw/zinc/92/53/06/1034925306.db2.gz AVHLOYMBRQVVBY-KRWDZBQOSA-N 1 2 325.412 3.692 20 0 EHADLO COc1ccc(C[N@H+](Cc2nc(C)c(C)[nH]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000628264634 1034984883 /nfs/dbraw/zinc/98/48/83/1034984883.db2.gz VWBFKOHBPAGWOW-HNNXBMFYSA-N 1 2 343.471 3.844 20 0 EHADLO COc1ccc(C[N@@H+](Cc2nc(C)c(C)[nH]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000628264634 1034984892 /nfs/dbraw/zinc/98/48/92/1034984892.db2.gz VWBFKOHBPAGWOW-HNNXBMFYSA-N 1 2 343.471 3.844 20 0 EHADLO COc1ccc(CN(Cc2[nH]c(C)c(C)[nH+]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000628264634 1034984898 /nfs/dbraw/zinc/98/48/98/1034984898.db2.gz VWBFKOHBPAGWOW-HNNXBMFYSA-N 1 2 343.471 3.844 20 0 EHADLO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000413784896 1035017868 /nfs/dbraw/zinc/01/78/68/1035017868.db2.gz BDUOMOLDRRGAGO-QYZOEREBSA-N 1 2 340.854 3.617 20 0 EHADLO CCc1noc(C)c1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153372527 1035084594 /nfs/dbraw/zinc/08/45/94/1035084594.db2.gz UERSZPXLHXLUFP-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO CCc1noc(C)c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153372527 1035084603 /nfs/dbraw/zinc/08/46/03/1035084603.db2.gz UERSZPXLHXLUFP-GASCZTMLSA-N 1 2 349.475 3.519 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000376023149 1035137064 /nfs/dbraw/zinc/13/70/64/1035137064.db2.gz IHGPPNWWLHFLKR-RYQLBKOJSA-N 1 2 329.488 3.784 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](c1ccccc1)C1CC1)C2 ZINC000376055644 1035193704 /nfs/dbraw/zinc/19/37/04/1035193704.db2.gz KXPQLMSEIBQBPZ-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](c1ccccc1)C1CC1)CC2 ZINC000376055644 1035193706 /nfs/dbraw/zinc/19/37/06/1035193706.db2.gz KXPQLMSEIBQBPZ-APWZRJJASA-N 1 2 337.467 3.906 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1C ZINC000376057932 1035198291 /nfs/dbraw/zinc/19/82/91/1035198291.db2.gz SQJOVGBURGQMLI-CQSZACIVSA-N 1 2 339.439 3.788 20 0 EHADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1C ZINC000376057932 1035198292 /nfs/dbraw/zinc/19/82/92/1035198292.db2.gz SQJOVGBURGQMLI-CQSZACIVSA-N 1 2 339.439 3.788 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC2(C)C)c(C)c1 ZINC000612795582 1035230352 /nfs/dbraw/zinc/23/03/52/1035230352.db2.gz ANGWCXVYCSEMRL-MSOLQXFVSA-N 1 2 325.456 3.794 20 0 EHADLO CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n(Cc2ccccc2)n1 ZINC000636144167 1035242601 /nfs/dbraw/zinc/24/26/01/1035242601.db2.gz YNSJEZBSTOFYRX-HZPDHXFCSA-N 1 2 349.438 3.520 20 0 EHADLO CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n(Cc2ccccc2)n1 ZINC000636144167 1035242606 /nfs/dbraw/zinc/24/26/06/1035242606.db2.gz YNSJEZBSTOFYRX-HZPDHXFCSA-N 1 2 349.438 3.520 20 0 EHADLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376181112 1035385804 /nfs/dbraw/zinc/38/58/04/1035385804.db2.gz KKONKRRECHUNNY-WOJBJXKFSA-N 1 2 345.446 3.546 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000685843229 1035395808 /nfs/dbraw/zinc/39/58/08/1035395808.db2.gz TYFAEEILNHTKNN-UKTHLTGXSA-N 1 2 333.382 3.712 20 0 EHADLO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCn2cc(C)nc2C1 ZINC000685843229 1035395809 /nfs/dbraw/zinc/39/58/09/1035395809.db2.gz TYFAEEILNHTKNN-UKTHLTGXSA-N 1 2 333.382 3.712 20 0 EHADLO O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001125807261 1035423111 /nfs/dbraw/zinc/42/31/11/1035423111.db2.gz ZPYACQLQKRTOAM-MSOLQXFVSA-N 1 2 333.435 3.866 20 0 EHADLO COC(=O)c1cnc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000414097406 1035493328 /nfs/dbraw/zinc/49/33/28/1035493328.db2.gz IYVICQZAUOHQDQ-AWEZNQCLSA-N 1 2 344.480 3.945 20 0 EHADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000760671459 1035580538 /nfs/dbraw/zinc/58/05/38/1035580538.db2.gz YGDREQMVPNKEGD-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000760671459 1035580552 /nfs/dbraw/zinc/58/05/52/1035580552.db2.gz YGDREQMVPNKEGD-UHFFFAOYSA-N 1 2 338.423 3.703 20 0 EHADLO CCc1ccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)o1 ZINC000463517580 1035594909 /nfs/dbraw/zinc/59/49/09/1035594909.db2.gz JQNUAMKLRBLZFG-UHFFFAOYSA-N 1 2 346.434 3.863 20 0 EHADLO C[N@H+](Cc1ccco1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186245909 1035610271 /nfs/dbraw/zinc/61/02/71/1035610271.db2.gz FQFDUUJBNSZFCF-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO C[N@@H+](Cc1ccco1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186245909 1035610278 /nfs/dbraw/zinc/61/02/78/1035610278.db2.gz FQFDUUJBNSZFCF-HNNXBMFYSA-N 1 2 338.329 3.536 20 0 EHADLO CCSc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000186404222 1035630535 /nfs/dbraw/zinc/63/05/35/1035630535.db2.gz YWPZLLIAFBRZQM-UHFFFAOYSA-N 1 2 327.497 3.511 20 0 EHADLO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000571750143 1035640041 /nfs/dbraw/zinc/64/00/41/1035640041.db2.gz HGXWUFQQNJHZHP-UGSOOPFHSA-N 1 2 342.393 3.783 20 0 EHADLO Cc1cn2cc(NC(=O)[C@H](C)CCc3ccccc3F)ccc2[nH+]1 ZINC000463611489 1035681483 /nfs/dbraw/zinc/68/14/83/1035681483.db2.gz KMHXFWRZFINSDZ-CYBMUJFWSA-N 1 2 325.387 3.989 20 0 EHADLO CC(C)Oc1cccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC000534838150 1035686827 /nfs/dbraw/zinc/68/68/27/1035686827.db2.gz CCXGBWAERIJAPU-UHFFFAOYSA-N 1 2 345.874 3.844 20 0 EHADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)s1 ZINC000414136266 1035702488 /nfs/dbraw/zinc/70/24/88/1035702488.db2.gz ORNTUYWDYQZCMP-SNVBAGLBSA-N 1 2 330.409 3.835 20 0 EHADLO Cc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1-c1ccccc1 ZINC000186818862 1035709929 /nfs/dbraw/zinc/70/99/29/1035709929.db2.gz MSRRKCASNLHAGD-LJQANCHMSA-N 1 2 345.446 3.737 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457116615 1035729145 /nfs/dbraw/zinc/72/91/45/1035729145.db2.gz KASHCUDLVZIPEE-RDJZCZTQSA-N 1 2 331.847 3.769 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000540903697 1035784605 /nfs/dbraw/zinc/78/46/05/1035784605.db2.gz ZAIMNKGHHBAOIB-LJQANCHMSA-N 1 2 340.471 3.894 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000540903696 1035784716 /nfs/dbraw/zinc/78/47/16/1035784716.db2.gz ZAIMNKGHHBAOIB-IBGZPJMESA-N 1 2 340.471 3.894 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173845898 1035786073 /nfs/dbraw/zinc/78/60/73/1035786073.db2.gz DYLCNWHPULPQMG-MRXNPFEDSA-N 1 2 330.472 3.611 20 0 EHADLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173845898 1035786093 /nfs/dbraw/zinc/78/60/93/1035786093.db2.gz DYLCNWHPULPQMG-MRXNPFEDSA-N 1 2 330.472 3.611 20 0 EHADLO O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540905889 1035787705 /nfs/dbraw/zinc/78/77/05/1035787705.db2.gz CGAYXQBAMINKII-UHFFFAOYSA-N 1 2 333.178 3.826 20 0 EHADLO CCc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(C)[nH+]c2C)cc1 ZINC000187219430 1035787971 /nfs/dbraw/zinc/78/79/71/1035787971.db2.gz JJIBLGHLENBLQZ-IZHWHUGBSA-N 1 2 344.480 3.537 20 0 EHADLO Cc1ccc(CSc2nnc(NCC(F)(F)F)s2)c(C)[nH+]1 ZINC000187338276 1035793477 /nfs/dbraw/zinc/79/34/77/1035793477.db2.gz PKNYQGAYPCEOFE-UHFFFAOYSA-N 1 2 334.392 3.816 20 0 EHADLO C[C@H](NC(=O)N(C)CCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174211400 1035843480 /nfs/dbraw/zinc/84/34/80/1035843480.db2.gz ZAGUOWQWJZQMMX-KRWDZBQOSA-N 1 2 348.450 3.817 20 0 EHADLO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)c1cn(C)cn1 ZINC000926747333 1035895802 /nfs/dbraw/zinc/89/58/02/1035895802.db2.gz WNOXIWPQNDJTJK-IUCAKERBSA-N 1 2 344.203 3.873 20 0 EHADLO CCCN(Cc1ccc(C)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000588354705 1035908016 /nfs/dbraw/zinc/90/80/16/1035908016.db2.gz KGTWJLNKWPGNLP-UHFFFAOYSA-N 1 2 335.451 3.932 20 0 EHADLO CC(C)Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000188306222 1035908378 /nfs/dbraw/zinc/90/83/78/1035908378.db2.gz JPIDFRIYDAGFJZ-LBPRGKRZSA-N 1 2 333.819 3.525 20 0 EHADLO Cc1cccn2cc(CC(=O)N(Cc3cccc(F)c3)C(C)C)[nH+]c12 ZINC000588359755 1035910532 /nfs/dbraw/zinc/91/05/32/1035910532.db2.gz CWRPUDTTWHSCSG-UHFFFAOYSA-N 1 2 339.414 3.762 20 0 EHADLO Cc1cn2cc(NC(=O)c3cccc([C@H]4CCCOC4)c3)ccc2[nH+]1 ZINC000535037761 1035918388 /nfs/dbraw/zinc/91/83/88/1035918388.db2.gz RKTQIOOQTPIUJV-KRWDZBQOSA-N 1 2 335.407 3.789 20 0 EHADLO Cc1cc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c(C)c[nH+]1 ZINC000535060210 1035943012 /nfs/dbraw/zinc/94/30/12/1035943012.db2.gz AOEWOPPKUWALPO-MRXNPFEDSA-N 1 2 338.455 3.603 20 0 EHADLO Cc1cc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(C)c[nH+]1 ZINC000535061957 1035943558 /nfs/dbraw/zinc/94/35/58/1035943558.db2.gz SDBLWWGBIZDTHR-UHFFFAOYSA-N 1 2 340.427 3.749 20 0 EHADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1cccc2ccccc21 ZINC000428540820 1035953265 /nfs/dbraw/zinc/95/32/65/1035953265.db2.gz CXKWYXTVPGWWRK-UHFFFAOYSA-N 1 2 348.450 3.714 20 0 EHADLO Cc1ncc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)o1 ZINC000414188779 1035960146 /nfs/dbraw/zinc/96/01/46/1035960146.db2.gz RPMHYHARKGLIQX-CYBMUJFWSA-N 1 2 325.181 3.662 20 0 EHADLO CCOc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492558299 1035979531 /nfs/dbraw/zinc/97/95/31/1035979531.db2.gz MSLZTMIHZBUDFW-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO CCOc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000492558299 1035979546 /nfs/dbraw/zinc/97/95/46/1035979546.db2.gz MSLZTMIHZBUDFW-HXUWFJFHSA-N 1 2 345.414 3.677 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@H]3c3ccccn3)c(C(C)C)nc2s1 ZINC000535067386 1035983968 /nfs/dbraw/zinc/98/39/68/1035983968.db2.gz RDVCSEVJKAGQQI-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@H]3c3ccccn3)c(C(C)C)nc2s1 ZINC000535067386 1035983984 /nfs/dbraw/zinc/98/39/84/1035983984.db2.gz RDVCSEVJKAGQQI-HNNXBMFYSA-N 1 2 341.484 3.955 20 0 EHADLO Clc1ccc(CN2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000535068775 1035985886 /nfs/dbraw/zinc/98/58/86/1035985886.db2.gz VKJAKLUUFCWVAE-UHFFFAOYSA-N 1 2 340.858 3.534 20 0 EHADLO COc1ccccc1C[N@H+](CC(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000613484680 1036056387 /nfs/dbraw/zinc/05/63/87/1036056387.db2.gz ZJMLHKCYHUIHDR-AWEZNQCLSA-N 1 2 344.480 3.599 20 0 EHADLO COc1ccccc1C[N@@H+](CC(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000613484680 1036056401 /nfs/dbraw/zinc/05/64/01/1036056401.db2.gz ZJMLHKCYHUIHDR-AWEZNQCLSA-N 1 2 344.480 3.599 20 0 EHADLO CC(C)(C)C1CC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000457415075 1036079222 /nfs/dbraw/zinc/07/92/22/1036079222.db2.gz JBINJKBSBYNNQQ-UHFFFAOYSA-N 1 2 325.456 3.620 20 0 EHADLO C[C@@H](C1CC1)n1cc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000492658380 1036115279 /nfs/dbraw/zinc/11/52/79/1036115279.db2.gz AGMYCOBCPORBFS-NOKKCYSASA-N 1 2 347.422 3.692 20 0 EHADLO O=C(/C=C\c1ccc2ccccc2c1)NCc1cn2c([nH+]1)CCCC2 ZINC000492642379 1036122707 /nfs/dbraw/zinc/12/27/07/1036122707.db2.gz QFAOSTSVFFOXGT-LUAWRHEFSA-N 1 2 331.419 3.702 20 0 EHADLO Cc1nc2sc3c(c2c(NCc2cn4c([nH+]2)CCCC4)n1)CCC3 ZINC000588899481 1036150923 /nfs/dbraw/zinc/15/09/23/1036150923.db2.gz SKGVCJQKLLJVHV-UHFFFAOYSA-N 1 2 339.468 3.633 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(C)(C)CC1 ZINC000588904655 1036156444 /nfs/dbraw/zinc/15/64/44/1036156444.db2.gz KGRYFHGHIWCFMA-LBPRGKRZSA-N 1 2 339.277 3.898 20 0 EHADLO Cc1csc2c1ncnc2NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000189974454 1036171084 /nfs/dbraw/zinc/17/10/84/1036171084.db2.gz ZPDMDYCAWPLIBT-UHFFFAOYSA-N 1 2 339.468 3.997 20 0 EHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000535192515 1036171330 /nfs/dbraw/zinc/17/13/30/1036171330.db2.gz XCBKRKZUQNEEKW-MRXNPFEDSA-N 1 2 345.487 3.772 20 0 EHADLO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175083022 1036232697 /nfs/dbraw/zinc/23/26/97/1036232697.db2.gz DWEBDXCQLZKTAI-JLTOFOAXSA-N 1 2 335.407 3.570 20 0 EHADLO CC[C@@H](CC(F)F)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000457520262 1036245268 /nfs/dbraw/zinc/24/52/68/1036245268.db2.gz IWUYKRGLZZHZKF-KBPBESRZSA-N 1 2 342.405 3.712 20 0 EHADLO Cc1ccc(/C=C\CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000535264967 1036256556 /nfs/dbraw/zinc/25/65/56/1036256556.db2.gz SZUOENNLQICXLN-IHWYPQMZSA-N 1 2 340.492 3.804 20 0 EHADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000332863941 1036350506 /nfs/dbraw/zinc/35/05/06/1036350506.db2.gz IVZZQYSCRNGICX-FHLIZLRMSA-N 1 2 340.471 3.854 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000191241133 1036352480 /nfs/dbraw/zinc/35/24/80/1036352480.db2.gz DFVBQEHRAQGAMN-HNNXBMFYSA-N 1 2 342.405 3.700 20 0 EHADLO C[C@H]1CCCN(C(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000191241133 1036352498 /nfs/dbraw/zinc/35/24/98/1036352498.db2.gz DFVBQEHRAQGAMN-HNNXBMFYSA-N 1 2 342.405 3.700 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(C(F)(F)F)cc1 ZINC000414266979 1036365285 /nfs/dbraw/zinc/36/52/85/1036365285.db2.gz MRMPFFFDSRPUAN-OAHLLOKOSA-N 1 2 349.360 3.630 20 0 EHADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414270075 1036365452 /nfs/dbraw/zinc/36/54/52/1036365452.db2.gz YNQKQJGEMRPXOF-AWEZNQCLSA-N 1 2 337.345 3.671 20 0 EHADLO Cc1c([C@@H](C)[NH2+][C@H]2COCc3ccccc32)nnn1-c1ccc(C)cc1 ZINC000572585724 1036392093 /nfs/dbraw/zinc/39/20/93/1036392093.db2.gz LWDAGWKRJRNPSW-QRWLVFNGSA-N 1 2 348.450 3.806 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000457740592 1036449632 /nfs/dbraw/zinc/44/96/32/1036449632.db2.gz IJUSHMXIXXNSAA-CHWSQXEVSA-N 1 2 330.444 3.635 20 0 EHADLO COc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccc1OCCC(C)C ZINC000192152396 1036478706 /nfs/dbraw/zinc/47/87/06/1036478706.db2.gz XKWMAXWMJNNEIF-OAHLLOKOSA-N 1 2 329.444 3.761 20 0 EHADLO CC[C@H](CC(F)F)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457781911 1036500496 /nfs/dbraw/zinc/50/04/96/1036500496.db2.gz UYJSFPMWUJDUHE-ZIAGYGMSSA-N 1 2 339.430 3.607 20 0 EHADLO Cc1cccc(-c2noc(C[NH2+][C@H]3CCCc4c(O)cccc43)n2)c1 ZINC000192359060 1036501726 /nfs/dbraw/zinc/50/17/26/1036501726.db2.gz UEFWIMBJANAVLW-KRWDZBQOSA-N 1 2 335.407 3.918 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(C(F)(F)F)CCC1 ZINC000669333005 1036507316 /nfs/dbraw/zinc/50/73/16/1036507316.db2.gz JIHCMNAGSATAMF-ZDUSSCGKSA-N 1 2 337.345 3.533 20 0 EHADLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(SC)c(OC)c1 ZINC000541717724 1036588995 /nfs/dbraw/zinc/58/89/95/1036588995.db2.gz DYKRIIZKDMCGFQ-UHFFFAOYSA-N 1 2 339.501 3.971 20 0 EHADLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(SC)c(OC)c1 ZINC000541717724 1036589009 /nfs/dbraw/zinc/58/90/09/1036589009.db2.gz DYKRIIZKDMCGFQ-UHFFFAOYSA-N 1 2 339.501 3.971 20 0 EHADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC000176302489 1036597438 /nfs/dbraw/zinc/59/74/38/1036597438.db2.gz CRUXYKXYRVOPJY-NSHDSACASA-N 1 2 342.424 3.801 20 0 EHADLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1ncc(C)c(OC)c1C ZINC000589705817 1036597918 /nfs/dbraw/zinc/59/79/18/1036597918.db2.gz CWHNVFIBMQXVSG-UHFFFAOYSA-N 1 2 344.455 3.746 20 0 EHADLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1ncc(C)c(OC)c1C ZINC000589705817 1036597936 /nfs/dbraw/zinc/59/79/36/1036597936.db2.gz CWHNVFIBMQXVSG-UHFFFAOYSA-N 1 2 344.455 3.746 20 0 EHADLO O=C(C/C=C/c1cccc(F)c1)NCCCCNc1cccc[nH+]1 ZINC000176500927 1036632015 /nfs/dbraw/zinc/63/20/15/1036632015.db2.gz HOZZBJGGHZZEQQ-SOFGYWHQSA-N 1 2 327.403 3.633 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1cccc(C)c1 ZINC000493086255 1036654400 /nfs/dbraw/zinc/65/44/00/1036654400.db2.gz QOHKUGLSTIMYIM-KHPPLWFESA-N 1 2 325.456 3.706 20 0 EHADLO CN(C)c1ccc(NCc2ccc(OCC(F)(F)F)cc2)c[nH+]1 ZINC000162962942 1036665817 /nfs/dbraw/zinc/66/58/17/1036665817.db2.gz OLCZNFOYNMYFDO-UHFFFAOYSA-N 1 2 325.334 3.701 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000057103047 1036702988 /nfs/dbraw/zinc/70/29/88/1036702988.db2.gz MAFWOHJOYSTOKB-SFHVURJKSA-N 1 2 329.403 3.990 20 0 EHADLO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000057103047 1036703009 /nfs/dbraw/zinc/70/30/09/1036703009.db2.gz MAFWOHJOYSTOKB-SFHVURJKSA-N 1 2 329.403 3.990 20 0 EHADLO O=C(c1ccccc1Nc1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987300 1036705128 /nfs/dbraw/zinc/70/51/28/1036705128.db2.gz COZKWGFBDQWLDI-UHFFFAOYSA-N 1 2 345.402 3.729 20 0 EHADLO Fc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000170778840 1036718769 /nfs/dbraw/zinc/71/87/69/1036718769.db2.gz DYJVWUDRSJGCQT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO Fc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000170778840 1036718790 /nfs/dbraw/zinc/71/87/90/1036718790.db2.gz DYJVWUDRSJGCQT-UHFFFAOYSA-N 1 2 339.867 3.644 20 0 EHADLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000541870731 1036738175 /nfs/dbraw/zinc/73/81/75/1036738175.db2.gz KULZNTKQAFYJCD-OEIFXAAASA-N 1 2 338.455 3.551 20 0 EHADLO C/C=C/C=C/C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000493124072 1036739146 /nfs/dbraw/zinc/73/91/46/1036739146.db2.gz NXZQMGNNDAVNSN-CRBCFSCISA-N 1 2 329.831 3.698 20 0 EHADLO Cc1nnc(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)s1 ZINC000541882175 1036759147 /nfs/dbraw/zinc/75/91/47/1036759147.db2.gz JPVNVBXVLRHQSG-JTQLQIEISA-N 1 2 347.875 3.845 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCS[C@@H](C(C)C)C3)sc2c1 ZINC000464777237 1036771407 /nfs/dbraw/zinc/77/14/07/1036771407.db2.gz UTYSMIVYZHIHOJ-OAHLLOKOSA-N 1 2 349.525 3.617 20 0 EHADLO Cc1ccc2nc(NC(=O)C[N@H+]3CCS[C@@H](C(C)C)C3)sc2c1 ZINC000464777237 1036771414 /nfs/dbraw/zinc/77/14/14/1036771414.db2.gz UTYSMIVYZHIHOJ-OAHLLOKOSA-N 1 2 349.525 3.617 20 0 EHADLO COc1ccc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)c(Br)c1 ZINC001168447936 1036782018 /nfs/dbraw/zinc/78/20/18/1036782018.db2.gz KZRNPUSRSJMPRC-LLVKDONJSA-N 1 2 338.249 3.648 20 0 EHADLO COCc1cccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000472592331 1036824330 /nfs/dbraw/zinc/82/43/30/1036824330.db2.gz ZHRNKCOFQGCBDN-UHFFFAOYSA-N 1 2 346.228 3.506 20 0 EHADLO COCc1cccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000472592331 1036824359 /nfs/dbraw/zinc/82/43/59/1036824359.db2.gz ZHRNKCOFQGCBDN-UHFFFAOYSA-N 1 2 346.228 3.506 20 0 EHADLO CC(=O)CCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000162358947 1036871611 /nfs/dbraw/zinc/87/16/11/1036871611.db2.gz BXBNJJRNIKDZKX-UHFFFAOYSA-N 1 2 345.418 3.557 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(C4CC4)CC3)cn2c1 ZINC000590425770 1036871964 /nfs/dbraw/zinc/87/19/64/1036871964.db2.gz NQYTXVNNNIZMOI-UHFFFAOYSA-N 1 2 343.496 3.525 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464851718 1036899678 /nfs/dbraw/zinc/89/96/78/1036899678.db2.gz QLRTVPNISNYCGN-ZFWWWQNUSA-N 1 2 332.469 3.739 20 0 EHADLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464851718 1036899701 /nfs/dbraw/zinc/89/97/01/1036899701.db2.gz QLRTVPNISNYCGN-ZFWWWQNUSA-N 1 2 332.469 3.739 20 0 EHADLO CC(C)c1csc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000177724548 1036921282 /nfs/dbraw/zinc/92/12/82/1036921282.db2.gz ZPHXKHWZSVSNFS-GXTWGEPZSA-N 1 2 333.461 3.578 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C1CCCCC1 ZINC000177752968 1036926097 /nfs/dbraw/zinc/92/60/97/1036926097.db2.gz YREKFBUYZFXMOD-QGZVFWFLSA-N 1 2 326.444 3.589 20 0 EHADLO O=C(/C=C\Sc1cc(F)ccc1F)NCc1ccn2cc[nH+]c2c1 ZINC000493219661 1036926671 /nfs/dbraw/zinc/92/66/71/1036926671.db2.gz MCQIEUKCUOLBOE-YWEYNIOJSA-N 1 2 345.374 3.535 20 0 EHADLO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000376456375 1036971773 /nfs/dbraw/zinc/97/17/73/1036971773.db2.gz XMDYXSMOTYZSHQ-JNPBOXOQSA-N 1 2 339.439 3.608 20 0 EHADLO C[C@H](N(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000360106472 1036975833 /nfs/dbraw/zinc/97/58/33/1036975833.db2.gz ZWHGWPFQMRUJNH-HNNXBMFYSA-N 1 2 328.460 3.567 20 0 EHADLO CCOc1ccc([C@@H]([NH2+]Cc2cn(CC)nn2)c2ccccc2)cc1 ZINC000892634183 1036976972 /nfs/dbraw/zinc/97/69/72/1036976972.db2.gz PATMQYBIGRQSDW-FQEVSTJZSA-N 1 2 336.439 3.576 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000590605065 1036981508 /nfs/dbraw/zinc/98/15/08/1036981508.db2.gz YVRCZUVFOSKQHF-QGZVFWFLSA-N 1 2 327.428 3.540 20 0 EHADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000590605065 1036981524 /nfs/dbraw/zinc/98/15/24/1036981524.db2.gz YVRCZUVFOSKQHF-QGZVFWFLSA-N 1 2 327.428 3.540 20 0 EHADLO O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728034 1037006852 /nfs/dbraw/zinc/00/68/52/1037006852.db2.gz IYLFECNBWJFFAA-GFCCVEGCSA-N 1 2 346.793 3.634 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000414365932 1037016500 /nfs/dbraw/zinc/01/65/00/1037016500.db2.gz AHUSZLBTFDDFSE-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000414365932 1037016519 /nfs/dbraw/zinc/01/65/19/1037016519.db2.gz AHUSZLBTFDDFSE-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729787 1037031261 /nfs/dbraw/zinc/03/12/61/1037031261.db2.gz ZBXUQMIAHORFFB-BRWVUGGUSA-N 1 2 329.831 3.504 20 0 EHADLO CCCCCOc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590732681 1037034813 /nfs/dbraw/zinc/03/48/13/1037034813.db2.gz NZLJCMFLXYGDOU-GOSISDBHSA-N 1 2 341.455 3.929 20 0 EHADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733726 1037036298 /nfs/dbraw/zinc/03/62/98/1037036298.db2.gz UQMJKVSMXIJZND-ZFWWWQNUSA-N 1 2 349.887 3.881 20 0 EHADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000053144146 1037045817 /nfs/dbraw/zinc/04/58/17/1037045817.db2.gz KYHZYLJZOYOMKN-AWEZNQCLSA-N 1 2 331.485 3.836 20 0 EHADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000053144146 1037045833 /nfs/dbraw/zinc/04/58/33/1037045833.db2.gz KYHZYLJZOYOMKN-AWEZNQCLSA-N 1 2 331.485 3.836 20 0 EHADLO O=[S@@](CC[NH2+][C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104679751 1037064702 /nfs/dbraw/zinc/06/47/02/1037064702.db2.gz LBXIKNFZMDGFKZ-GAJHUEQPSA-N 1 2 342.489 3.630 20 0 EHADLO CC1(C)CC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666453325 1037065114 /nfs/dbraw/zinc/06/51/14/1037065114.db2.gz BKQBXTMOYBPGPN-UHFFFAOYSA-N 1 2 336.439 3.912 20 0 EHADLO CC(C)c1ccc(CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000590845454 1037080546 /nfs/dbraw/zinc/08/05/46/1037080546.db2.gz PVKHQXURSFHFHO-UHFFFAOYSA-N 1 2 340.471 3.596 20 0 EHADLO Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000590853767 1037100417 /nfs/dbraw/zinc/10/04/17/1037100417.db2.gz AFBDANOZOOFPPY-DZGCQCFKSA-N 1 2 332.473 3.669 20 0 EHADLO C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000542143199 1037103413 /nfs/dbraw/zinc/10/34/13/1037103413.db2.gz PGEREJVTCBPJEW-QFBILLFUSA-N 1 2 348.450 3.812 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000539737704 1037125463 /nfs/dbraw/zinc/12/54/63/1037125463.db2.gz QYXLFXYJUWSHPL-QRQLOZEOSA-N 1 2 327.472 3.832 20 0 EHADLO c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000539737705 1037125610 /nfs/dbraw/zinc/12/56/10/1037125610.db2.gz QYXLFXYJUWSHPL-QXAKKESOSA-N 1 2 327.472 3.832 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731750 1037132312 /nfs/dbraw/zinc/13/23/12/1037132312.db2.gz HXXGYXOZGAVHJX-WQGACYEGSA-N 1 2 342.405 3.619 20 0 EHADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000539731750 1037132321 /nfs/dbraw/zinc/13/23/21/1037132321.db2.gz HXXGYXOZGAVHJX-WQGACYEGSA-N 1 2 342.405 3.619 20 0 EHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(CCC(F)(F)F)cc1 ZINC000178987437 1037148081 /nfs/dbraw/zinc/14/80/81/1037148081.db2.gz XWODDSYEIWBROB-UHFFFAOYSA-N 1 2 347.340 3.759 20 0 EHADLO CC1(C)CC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000539763511 1037162037 /nfs/dbraw/zinc/16/20/37/1037162037.db2.gz RLNLAWAOCJDRCF-INIZCTEOSA-N 1 2 332.492 3.662 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc2ccccc2c1 ZINC000105271039 1037180887 /nfs/dbraw/zinc/18/08/87/1037180887.db2.gz FVTLNFLUOLQMBU-UHFFFAOYSA-N 1 2 348.450 3.926 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OC[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000783784578 1037189211 /nfs/dbraw/zinc/18/92/11/1037189211.db2.gz GERFMHFHPOGZTA-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000783784578 1037189225 /nfs/dbraw/zinc/18/92/25/1037189225.db2.gz GERFMHFHPOGZTA-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 ZINC000591083644 1037212066 /nfs/dbraw/zinc/21/20/66/1037212066.db2.gz LJCWDAVULNMFSU-HUUCEWRRSA-N 1 2 346.450 3.772 20 0 EHADLO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493283330 1037216963 /nfs/dbraw/zinc/21/69/63/1037216963.db2.gz HHNOTCQHQGXVOM-ABZNLYFFSA-N 1 2 337.345 3.531 20 0 EHADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000462645260 1037227006 /nfs/dbraw/zinc/22/70/06/1037227006.db2.gz YQXQZDGYLFGMGX-MRXNPFEDSA-N 1 2 343.496 3.645 20 0 EHADLO O=C(CCCn1cc[nH+]c1)NCc1cccc(OCc2ccccc2)c1 ZINC000591138353 1037231508 /nfs/dbraw/zinc/23/15/08/1037231508.db2.gz LLJVYPNUFSLTCK-UHFFFAOYSA-N 1 2 349.434 3.559 20 0 EHADLO C[C@H]1C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000542276756 1037232233 /nfs/dbraw/zinc/23/22/33/1037232233.db2.gz CNKGIJXLILBAFX-WMLDXEAASA-N 1 2 337.435 3.709 20 0 EHADLO C[C@H]1C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000542276756 1037232247 /nfs/dbraw/zinc/23/22/47/1037232247.db2.gz CNKGIJXLILBAFX-WMLDXEAASA-N 1 2 337.435 3.709 20 0 EHADLO CC(C)CCN(CCC(C)C)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661423425 1037271997 /nfs/dbraw/zinc/27/19/97/1037271997.db2.gz LPXJVXSVXKLKGU-HNNXBMFYSA-N 1 2 325.522 3.715 20 0 EHADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000462685775 1037280585 /nfs/dbraw/zinc/28/05/85/1037280585.db2.gz JHSNNDZBZNYYJN-INIZCTEOSA-N 1 2 343.496 3.645 20 0 EHADLO C[C@@H](c1nncn1C)[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000376499677 1037287110 /nfs/dbraw/zinc/28/71/10/1037287110.db2.gz DOQJHYYLVZSSSI-NSHDSACASA-N 1 2 337.254 3.972 20 0 EHADLO C[C@@H](c1nncn1C)[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000376499677 1037287119 /nfs/dbraw/zinc/28/71/19/1037287119.db2.gz DOQJHYYLVZSSSI-NSHDSACASA-N 1 2 337.254 3.972 20 0 EHADLO C[C@H](CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)n1cc[nH+]c1 ZINC000573094524 1037301142 /nfs/dbraw/zinc/30/11/42/1037301142.db2.gz PAATVPKKFHQEQN-CYBMUJFWSA-N 1 2 331.464 3.722 20 0 EHADLO Cc1ccc2[nH+]c(CSCC(=O)NC(C(C)C)C(C)C)cn2c1 ZINC000610926167 1037307778 /nfs/dbraw/zinc/30/77/78/1037307778.db2.gz PABQGLHDDFWWSN-UHFFFAOYSA-N 1 2 333.501 3.673 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395090 1037313789 /nfs/dbraw/zinc/31/37/89/1037313789.db2.gz LWHWWMKEDYFHTM-UKRRQHHQSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(S(C)(=O)=O)s1 ZINC000414395090 1037313806 /nfs/dbraw/zinc/31/38/06/1037313806.db2.gz LWHWWMKEDYFHTM-UKRRQHHQSA-N 1 2 335.494 3.530 20 0 EHADLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000532452502 1037317070 /nfs/dbraw/zinc/31/70/70/1037317070.db2.gz BHBCOSIZKRBBIJ-QRWLVFNGSA-N 1 2 349.434 3.632 20 0 EHADLO Cc1nc2c(s1)[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)CCC2 ZINC000532453520 1037323287 /nfs/dbraw/zinc/32/32/87/1037323287.db2.gz XSTKMVUEAMTDPG-IAGOWNOFSA-N 1 2 338.480 3.942 20 0 EHADLO COc1ccc(F)c(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000088209869 1037325900 /nfs/dbraw/zinc/32/59/00/1037325900.db2.gz FAYNCNAJXVJORH-RUDMXATFSA-N 1 2 337.354 3.672 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1c(F)cccc1F ZINC000493427490 1037354110 /nfs/dbraw/zinc/35/41/10/1037354110.db2.gz VUOUMWQRUHTONR-MDZDMXLPSA-N 1 2 347.409 3.676 20 0 EHADLO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000088484682 1037373430 /nfs/dbraw/zinc/37/34/30/1037373430.db2.gz LWDINXZYPGBGEA-HUUCEWRRSA-N 1 2 348.418 3.969 20 0 EHADLO O=C1[C@H]([N@H+]2CCC[C@@H]2c2cccs2)CCN1c1c(F)cccc1F ZINC000088484682 1037373444 /nfs/dbraw/zinc/37/34/44/1037373444.db2.gz LWDINXZYPGBGEA-HUUCEWRRSA-N 1 2 348.418 3.969 20 0 EHADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)[nH]1 ZINC000462799014 1037390996 /nfs/dbraw/zinc/39/09/96/1037390996.db2.gz VOIINTOKVRMBQJ-ZDUSSCGKSA-N 1 2 344.459 3.734 20 0 EHADLO O=C(/C=C\Sc1ccccc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000493495261 1037417081 /nfs/dbraw/zinc/41/70/81/1037417081.db2.gz VCKCGPKRAOMRFB-RAXLEYEMSA-N 1 2 349.459 3.854 20 0 EHADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000462828924 1037430157 /nfs/dbraw/zinc/43/01/57/1037430157.db2.gz STRFKOMZOWYJHZ-SNVBAGLBSA-N 1 2 328.416 3.951 20 0 EHADLO Oc1ccc(Br)c(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000462825606 1037449161 /nfs/dbraw/zinc/44/91/61/1037449161.db2.gz IDNWYPGZPQHECB-UHFFFAOYSA-N 1 2 336.204 3.893 20 0 EHADLO COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152672503 1037498186 /nfs/dbraw/zinc/49/81/86/1037498186.db2.gz KEHSUKOEFBAMSM-CYBMUJFWSA-N 1 2 327.428 3.597 20 0 EHADLO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000532490070 1037516145 /nfs/dbraw/zinc/51/61/45/1037516145.db2.gz CPSARUTWELWWIR-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000532490070 1037516158 /nfs/dbraw/zinc/51/61/58/1037516158.db2.gz CPSARUTWELWWIR-UHFFFAOYSA-N 1 2 330.403 3.683 20 0 EHADLO CC(=O)Nc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000101543377 1037571102 /nfs/dbraw/zinc/57/11/02/1037571102.db2.gz UMQZWPCJESXQJD-NRFANRHFSA-N 1 2 331.419 3.919 20 0 EHADLO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863974 1037575514 /nfs/dbraw/zinc/57/55/14/1037575514.db2.gz LUTPSRHAMAGGPY-HZPDHXFCSA-N 1 2 329.831 3.504 20 0 EHADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387470 1037647637 /nfs/dbraw/zinc/64/76/37/1037647637.db2.gz GRNFZTQFELPYGP-YVEFUNNKSA-N 1 2 345.418 3.593 20 0 EHADLO C[N@H+](CC1CCCC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000058207409 1037652458 /nfs/dbraw/zinc/65/24/58/1037652458.db2.gz HINKGFNQJIFCBU-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO C[N@@H+](CC1CCCC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000058207409 1037652462 /nfs/dbraw/zinc/65/24/62/1037652462.db2.gz HINKGFNQJIFCBU-UHFFFAOYSA-N 1 2 349.548 3.819 20 0 EHADLO COCC[C@H]1COCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000463024367 1037652448 /nfs/dbraw/zinc/65/24/48/1037652448.db2.gz KVLCSGFXBDTSFO-LBPRGKRZSA-N 1 2 325.861 3.792 20 0 EHADLO COCC[C@H]1COCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000463024367 1037652460 /nfs/dbraw/zinc/65/24/60/1037652460.db2.gz KVLCSGFXBDTSFO-LBPRGKRZSA-N 1 2 325.861 3.792 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@@H](C)O1 ZINC000532574551 1037678873 /nfs/dbraw/zinc/67/88/73/1037678873.db2.gz DXHLOJVOOWYAIK-HLLBOEOZSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@@H](C)O1 ZINC000532574551 1037678880 /nfs/dbraw/zinc/67/88/80/1037678880.db2.gz DXHLOJVOOWYAIK-HLLBOEOZSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@H](C)O1 ZINC000532574557 1037679656 /nfs/dbraw/zinc/67/96/56/1037679656.db2.gz DXHLOJVOOWYAIK-YQQAZPJKSA-N 1 2 326.440 3.666 20 0 EHADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@H](C)O1 ZINC000532574557 1037679671 /nfs/dbraw/zinc/67/96/71/1037679671.db2.gz DXHLOJVOOWYAIK-YQQAZPJKSA-N 1 2 326.440 3.666 20 0 EHADLO COc1ccc(-c2cnc(C[N@@H+]3C[C@@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132586 1037684920 /nfs/dbraw/zinc/68/49/20/1037684920.db2.gz CHCKFPXHHHCFNV-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO COc1ccc(-c2cnc(C[N@H+]3C[C@@H](C)OC4(CCCC4)C3)o2)cc1 ZINC000646132586 1037684928 /nfs/dbraw/zinc/68/49/28/1037684928.db2.gz CHCKFPXHHHCFNV-OAHLLOKOSA-N 1 2 342.439 3.884 20 0 EHADLO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000491930424 1037772257 /nfs/dbraw/zinc/77/22/57/1037772257.db2.gz WSFYOFDGPHJLCO-FWWRYZNZSA-N 1 2 344.484 3.583 20 0 EHADLO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000913763526 1037784693 /nfs/dbraw/zinc/78/46/93/1037784693.db2.gz JHGJDMLKEQAKFT-INIZCTEOSA-N 1 2 337.345 3.509 20 0 EHADLO C=C/C=C\CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222681 1037792842 /nfs/dbraw/zinc/79/28/42/1037792842.db2.gz MVOWKEZAFDANAF-YVACAVLKSA-N 1 2 338.245 3.727 20 0 EHADLO C=C/C=C\CC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001168222681 1037792852 /nfs/dbraw/zinc/79/28/52/1037792852.db2.gz MVOWKEZAFDANAF-YVACAVLKSA-N 1 2 338.245 3.727 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000378066392 1037794668 /nfs/dbraw/zinc/79/46/68/1037794668.db2.gz FQEZXPSFLBHFFA-CMVHYPBASA-N 1 2 329.488 3.858 20 0 EHADLO COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117747145 1037859775 /nfs/dbraw/zinc/85/97/75/1037859775.db2.gz DKDFZFVBUZAQCQ-FQEVSTJZSA-N 1 2 347.418 3.858 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)c(F)c1 ZINC000540440087 1037942546 /nfs/dbraw/zinc/94/25/46/1037942546.db2.gz WHYIQBXFHUINPQ-GFCCVEGCSA-N 1 2 334.366 3.571 20 0 EHADLO C[C@H]1c2ccccc2CCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000106544426 1038102395 /nfs/dbraw/zinc/10/23/95/1038102395.db2.gz GAXGFCUXTLYSAY-INIZCTEOSA-N 1 2 346.434 3.701 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c[nH+]1 ZINC000454209554 1038209228 /nfs/dbraw/zinc/20/92/28/1038209228.db2.gz RMUHMCYNSUUINE-ZDUSSCGKSA-N 1 2 349.381 3.860 20 0 EHADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000043182849 1038292979 /nfs/dbraw/zinc/29/29/79/1038292979.db2.gz ZCWDTLCQFOEOTM-ZDUSSCGKSA-N 1 2 332.835 3.597 20 0 EHADLO O=c1[nH]c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc2cc(Cl)ccc21 ZINC000532645921 1038319920 /nfs/dbraw/zinc/31/99/20/1038319920.db2.gz PYUWHWGWTYIBLP-LSDHHAIUSA-N 1 2 349.887 3.849 20 0 EHADLO O=c1[nH]c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc2cc(Cl)ccc21 ZINC000532645921 1038319932 /nfs/dbraw/zinc/31/99/32/1038319932.db2.gz PYUWHWGWTYIBLP-LSDHHAIUSA-N 1 2 349.887 3.849 20 0 EHADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1O ZINC000378275499 1038363519 /nfs/dbraw/zinc/36/35/19/1038363519.db2.gz HLYJLWSQEGDJPE-UHFFFAOYSA-N 1 2 331.375 3.560 20 0 EHADLO CCCCOc1ccc(C[NH2+][C@H](C)c2nn(CC)nc2C)cc1OC ZINC000924667740 1038395899 /nfs/dbraw/zinc/39/58/99/1038395899.db2.gz AMFQUDFMQRKYPU-CQSZACIVSA-N 1 2 346.475 3.645 20 0 EHADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C2CC2)cc1 ZINC000667112532 1038405008 /nfs/dbraw/zinc/40/50/08/1038405008.db2.gz JDYLENDSVJOSLZ-UHFFFAOYSA-N 1 2 336.435 3.649 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000538735839 1038500457 /nfs/dbraw/zinc/50/04/57/1038500457.db2.gz GRJOGRWZGTZRCW-IBGZPJMESA-N 1 2 336.460 3.902 20 0 EHADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000538735839 1038500464 /nfs/dbraw/zinc/50/04/64/1038500464.db2.gz GRJOGRWZGTZRCW-IBGZPJMESA-N 1 2 336.460 3.902 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc2)c1 ZINC000538740443 1038503881 /nfs/dbraw/zinc/50/38/81/1038503881.db2.gz OVERFAKTDSBVRZ-QGZVFWFLSA-N 1 2 345.508 3.835 20 0 EHADLO Cc1cc(C)cc(-c2ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc2)c1 ZINC000538740443 1038503895 /nfs/dbraw/zinc/50/38/95/1038503895.db2.gz OVERFAKTDSBVRZ-QGZVFWFLSA-N 1 2 345.508 3.835 20 0 EHADLO CCc1ccc(-c2ccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)o2)cc1 ZINC000538740403 1038504584 /nfs/dbraw/zinc/50/45/84/1038504584.db2.gz LSPRVHCXYXUUIS-OAHLLOKOSA-N 1 2 349.496 3.764 20 0 EHADLO CCc1ccc(-c2ccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)o2)cc1 ZINC000538740403 1038504587 /nfs/dbraw/zinc/50/45/87/1038504587.db2.gz LSPRVHCXYXUUIS-OAHLLOKOSA-N 1 2 349.496 3.764 20 0 EHADLO CC[C@H](C)[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000339164104 1038516397 /nfs/dbraw/zinc/51/63/97/1038516397.db2.gz AZUYWLRNGCJTDH-UGSOOPFHSA-N 1 2 333.863 3.910 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000472982081 1038603107 /nfs/dbraw/zinc/60/31/07/1038603107.db2.gz AKQJSESNBSLGJM-HZPDHXFCSA-N 1 2 340.471 3.981 20 0 EHADLO C[C@H]1CCc2c(sc3nc(C[N@@H+]4CCC45CCC5)nc(N)c23)C1 ZINC000538966813 1038617340 /nfs/dbraw/zinc/61/73/40/1038617340.db2.gz GLBZKPFQUJNPBX-NSHDSACASA-N 1 2 328.485 3.527 20 0 EHADLO C[C@H]1CCc2c(sc3nc(C[N@H+]4CCC45CCC5)nc(N)c23)C1 ZINC000538966813 1038617346 /nfs/dbraw/zinc/61/73/46/1038617346.db2.gz GLBZKPFQUJNPBX-NSHDSACASA-N 1 2 328.485 3.527 20 0 EHADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 ZINC000363854701 1038691064 /nfs/dbraw/zinc/69/10/64/1038691064.db2.gz VPWXZRJLIWZELA-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 ZINC000363854701 1038691067 /nfs/dbraw/zinc/69/10/67/1038691067.db2.gz VPWXZRJLIWZELA-CYBMUJFWSA-N 1 2 332.473 3.907 20 0 EHADLO CCc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000651389776 1038727750 /nfs/dbraw/zinc/72/77/50/1038727750.db2.gz CDOBLXILJZKFPC-UHFFFAOYSA-N 1 2 341.455 3.611 20 0 EHADLO Fc1ccccc1C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000500470971 1038781446 /nfs/dbraw/zinc/78/14/46/1038781446.db2.gz POROOASBOGHQPS-CQSZACIVSA-N 1 2 340.167 3.951 20 0 EHADLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000462150186 1038789299 /nfs/dbraw/zinc/78/92/99/1038789299.db2.gz KXFAUIHVUXLWEY-NSHDSACASA-N 1 2 344.212 3.839 20 0 EHADLO Cc1cc(C)c(C(=O)NCCc2ccc(OC(F)F)cc2)c(C)[nH+]1 ZINC000905308837 1038818028 /nfs/dbraw/zinc/81/80/28/1038818028.db2.gz CYAQGUVAJPERDA-UHFFFAOYSA-N 1 2 334.366 3.581 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3C[C@@H](CO)OC[C@H]3C)s2)cc1 ZINC000485250498 1038827708 /nfs/dbraw/zinc/82/77/08/1038827708.db2.gz ZSKROFBYORHYGO-PBHICJAKSA-N 1 2 346.496 3.515 20 0 EHADLO CC(C)c1ccc(-c2ncc(C[N@H+]3C[C@@H](CO)OC[C@H]3C)s2)cc1 ZINC000485250498 1038827735 /nfs/dbraw/zinc/82/77/35/1038827735.db2.gz ZSKROFBYORHYGO-PBHICJAKSA-N 1 2 346.496 3.515 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651536 1038829690 /nfs/dbraw/zinc/82/96/90/1038829690.db2.gz YPBDGHHMDRJIKP-PXAZEXFGSA-N 1 2 345.468 3.693 20 0 EHADLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2csc(NC(C)=O)n2)c1 ZINC000378651536 1038829707 /nfs/dbraw/zinc/82/97/07/1038829707.db2.gz YPBDGHHMDRJIKP-PXAZEXFGSA-N 1 2 345.468 3.693 20 0 EHADLO Fc1cccc(C[NH+]2CCN(c3cnc(-c4ccccc4)cn3)CC2)c1 ZINC000488087160 1038839064 /nfs/dbraw/zinc/83/90/64/1038839064.db2.gz VPCZAPVNCVIQOR-UHFFFAOYSA-N 1 2 348.425 3.605 20 0 EHADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822652 1038866741 /nfs/dbraw/zinc/86/67/41/1038866741.db2.gz BGSJCDVRFAHBFO-UGSOOPFHSA-N 1 2 343.414 3.727 20 0 EHADLO COc1cc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1OC(C)C ZINC000668822652 1038866765 /nfs/dbraw/zinc/86/67/65/1038866765.db2.gz BGSJCDVRFAHBFO-UGSOOPFHSA-N 1 2 343.414 3.727 20 0 EHADLO CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000416685442 1038899781 /nfs/dbraw/zinc/89/97/81/1038899781.db2.gz NKQLUAHZMLEBAF-MSOLQXFVSA-N 1 2 340.471 3.555 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)C(C)(C)C ZINC000554102437 1038908216 /nfs/dbraw/zinc/90/82/16/1038908216.db2.gz RBUWPXWJKYXZMW-UHFFFAOYSA-N 1 2 337.414 3.811 20 0 EHADLO COc1cc(Br)c(C[NH+]2CC3(C2)CCCC3)c(OC)c1 ZINC000485312942 1038908976 /nfs/dbraw/zinc/90/89/76/1038908976.db2.gz YIINSKXCDPPOSY-UHFFFAOYSA-N 1 2 340.261 3.842 20 0 EHADLO Fc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000432721487 1038914954 /nfs/dbraw/zinc/91/49/54/1038914954.db2.gz XHVWYMNSQPGOOI-CYBMUJFWSA-N 1 2 348.245 3.902 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001143505766 1038927234 /nfs/dbraw/zinc/92/72/34/1038927234.db2.gz MXBHLRLZMTZRFX-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001143505766 1038927248 /nfs/dbraw/zinc/92/72/48/1038927248.db2.gz MXBHLRLZMTZRFX-CYBMUJFWSA-N 1 2 344.768 3.787 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000552064086 1038930217 /nfs/dbraw/zinc/93/02/17/1038930217.db2.gz XBNLEDRPEZQJGD-UHFFFAOYSA-N 1 2 341.398 3.832 20 0 EHADLO COc1ccc(OC(F)F)c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000552064086 1038930235 /nfs/dbraw/zinc/93/02/35/1038930235.db2.gz XBNLEDRPEZQJGD-UHFFFAOYSA-N 1 2 341.398 3.832 20 0 EHADLO Fc1cccc(Cc2noc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2)c1 ZINC000488235894 1038994860 /nfs/dbraw/zinc/99/48/60/1038994860.db2.gz UNZQPYBERWGUIA-CVEARBPZSA-N 1 2 347.459 3.660 20 0 EHADLO Fc1cccc(Cc2noc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2)c1 ZINC000488235894 1038994879 /nfs/dbraw/zinc/99/48/79/1038994879.db2.gz UNZQPYBERWGUIA-CVEARBPZSA-N 1 2 347.459 3.660 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477870818 1039003738 /nfs/dbraw/zinc/00/37/38/1039003738.db2.gz ADGKNMDUYGLBQF-SFHVURJKSA-N 1 2 344.499 3.631 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477870818 1039003755 /nfs/dbraw/zinc/00/37/55/1039003755.db2.gz ADGKNMDUYGLBQF-SFHVURJKSA-N 1 2 344.499 3.631 20 0 EHADLO c1nn2c(c1C[N@@H+]1CCCC[C@H]1c1nc(-c3ccccc3)no1)CCC2 ZINC000667589051 1039004235 /nfs/dbraw/zinc/00/42/35/1039004235.db2.gz NCJCVZGFKBHWEW-SFHVURJKSA-N 1 2 349.438 3.607 20 0 EHADLO c1nn2c(c1C[N@H+]1CCCC[C@H]1c1nc(-c3ccccc3)no1)CCC2 ZINC000667589051 1039004250 /nfs/dbraw/zinc/00/42/50/1039004250.db2.gz NCJCVZGFKBHWEW-SFHVURJKSA-N 1 2 349.438 3.607 20 0 EHADLO COCCC1C[NH+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC000668471617 1039006471 /nfs/dbraw/zinc/00/64/71/1039006471.db2.gz FBIWLUMJZNNBOC-UHFFFAOYSA-N 1 2 332.669 3.879 20 0 EHADLO Fc1ccc2cc(C[NH+]3CCN(c4ccccc4F)CC3)[nH]c2c1 ZINC000488310748 1039078273 /nfs/dbraw/zinc/07/82/73/1039078273.db2.gz HQNFXMXFPQPVEO-UHFFFAOYSA-N 1 2 327.378 3.768 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000910816316 1039090523 /nfs/dbraw/zinc/09/05/23/1039090523.db2.gz AGGLFKSXUVJISN-LLVKDONJSA-N 1 2 325.334 3.660 20 0 EHADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000910816316 1039090541 /nfs/dbraw/zinc/09/05/41/1039090541.db2.gz AGGLFKSXUVJISN-LLVKDONJSA-N 1 2 325.334 3.660 20 0 EHADLO COCC1(CNc2[nH+]cccc2OCc2ccccc2)CCOCC1 ZINC000488425072 1039162683 /nfs/dbraw/zinc/16/26/83/1039162683.db2.gz FDVKXOJJXRJGHT-UHFFFAOYSA-N 1 2 342.439 3.516 20 0 EHADLO CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000554298067 1039186780 /nfs/dbraw/zinc/18/67/80/1039186780.db2.gz CWLDWHIJMKCJBE-KRWDZBQOSA-N 1 2 327.428 3.744 20 0 EHADLO O=C(OC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185801536 1039218457 /nfs/dbraw/zinc/21/84/57/1039218457.db2.gz YVMCWLIGXGEMBR-AZUAARDMSA-N 1 2 348.402 3.807 20 0 EHADLO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ncc(Cl)nc1Cl ZINC001141136817 1039224171 /nfs/dbraw/zinc/22/41/71/1039224171.db2.gz AAAKEYCJGIGSNU-UHFFFAOYSA-N 1 2 340.254 3.557 20 0 EHADLO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ncc(Cl)nc1Cl ZINC001141136817 1039224181 /nfs/dbraw/zinc/22/41/81/1039224181.db2.gz AAAKEYCJGIGSNU-UHFFFAOYSA-N 1 2 340.254 3.557 20 0 EHADLO Oc1ccc(C2CC[NH+](Cc3ncc(Cl)nc3Cl)CC2)cc1 ZINC001141136865 1039240609 /nfs/dbraw/zinc/24/06/09/1039240609.db2.gz CCXFOUZAXNFWLN-UHFFFAOYSA-N 1 2 338.238 3.869 20 0 EHADLO O=C(CC1(C(F)(F)F)CC1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000488546360 1039260474 /nfs/dbraw/zinc/26/04/74/1039260474.db2.gz GEZGIPMMWHBZMC-ZDUSSCGKSA-N 1 2 346.780 3.546 20 0 EHADLO FC(F)(F)Oc1ccc(C2CC[NH+](Cc3csnn3)CC2)cc1 ZINC000552413559 1039265023 /nfs/dbraw/zinc/26/50/23/1039265023.db2.gz LXPJCABAWLQLSX-UHFFFAOYSA-N 1 2 343.374 3.816 20 0 EHADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000108965924 1039275812 /nfs/dbraw/zinc/27/58/12/1039275812.db2.gz ZGWCCGKBOYDELN-GFCCVEGCSA-N 1 2 327.334 3.893 20 0 EHADLO CCOc1ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C)c1 ZINC000667637309 1039276140 /nfs/dbraw/zinc/27/61/40/1039276140.db2.gz PMMIARUTHFLPHF-GOSISDBHSA-N 1 2 339.483 3.668 20 0 EHADLO CC1(C)C[C@H](c2noc(Cc3ccc(-n4cc[nH+]c4)cc3)n2)CCO1 ZINC000906115695 1039316303 /nfs/dbraw/zinc/31/63/03/1039316303.db2.gz IBASIOFAXBAHTI-OAHLLOKOSA-N 1 2 338.411 3.519 20 0 EHADLO CC(C)[C@H]1CCCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668865074 1039319220 /nfs/dbraw/zinc/31/92/20/1039319220.db2.gz QSFYYYPRUQDPRL-QZTJIDSGSA-N 1 2 325.456 3.969 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccon1)Cc1ccccc1 ZINC000279924066 1039326416 /nfs/dbraw/zinc/32/64/16/1039326416.db2.gz FOISHSWNZCSZIQ-UHFFFAOYSA-N 1 2 345.443 3.592 20 0 EHADLO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccon1)Cc1ccccc1 ZINC000279924066 1039326432 /nfs/dbraw/zinc/32/64/32/1039326432.db2.gz FOISHSWNZCSZIQ-UHFFFAOYSA-N 1 2 345.443 3.592 20 0 EHADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000667312784 1039332219 /nfs/dbraw/zinc/33/22/19/1039332219.db2.gz AQMWCFCXFTZJGU-WOJBJXKFSA-N 1 2 345.446 3.800 20 0 EHADLO CCC[C@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554463364 1039361029 /nfs/dbraw/zinc/36/10/29/1039361029.db2.gz OCUAMPVUZRXQBR-INIZCTEOSA-N 1 2 327.432 3.513 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1CCCc2ccccc21 ZINC000554464422 1039362835 /nfs/dbraw/zinc/36/28/35/1039362835.db2.gz WXOGVYKVDDCVJA-GOSISDBHSA-N 1 2 347.422 3.526 20 0 EHADLO COc1ccc(C)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000478305588 1039368970 /nfs/dbraw/zinc/36/89/70/1039368970.db2.gz BWNVETWFHNXTHA-HXUWFJFHSA-N 1 2 339.414 3.755 20 0 EHADLO C[C@@H](c1cccnc1)N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000567311415 1039372542 /nfs/dbraw/zinc/37/25/42/1039372542.db2.gz BUWMZUSTAALUNK-CWDCEQMOSA-N 1 2 343.421 3.752 20 0 EHADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccco1 ZINC000051563583 1039389507 /nfs/dbraw/zinc/38/95/07/1039389507.db2.gz AHMPHXFGVHZYPY-FQEVSTJZSA-N 1 2 326.440 3.759 20 0 EHADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccco1 ZINC000051563583 1039389525 /nfs/dbraw/zinc/38/95/25/1039389525.db2.gz AHMPHXFGVHZYPY-FQEVSTJZSA-N 1 2 326.440 3.759 20 0 EHADLO Cc1cn(C(C)(C)C(=O)N2CCc3ccc(C(C)C)cc3C2)c[nH+]1 ZINC000898660834 1039395057 /nfs/dbraw/zinc/39/50/57/1039395057.db2.gz ADZNFYUWPAIBIM-UHFFFAOYSA-N 1 2 325.456 3.635 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000485687131 1039403883 /nfs/dbraw/zinc/40/38/83/1039403883.db2.gz BNGFPDOPZWVACK-GLFJAGTFSA-N 1 2 336.426 3.653 20 0 EHADLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000485687131 1039403893 /nfs/dbraw/zinc/40/38/93/1039403893.db2.gz BNGFPDOPZWVACK-GLFJAGTFSA-N 1 2 336.426 3.653 20 0 EHADLO Cc1[nH]c2ccc(NC(=O)C=Cc3ccc(Br)o3)cc2[nH+]1 ZINC000042060031 1039479262 /nfs/dbraw/zinc/47/92/62/1039479262.db2.gz WJZDVWSCYCLNDL-QPJJXVBHSA-N 1 2 346.184 3.879 20 0 EHADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000906350224 1039496251 /nfs/dbraw/zinc/49/62/51/1039496251.db2.gz RFFMMCSILMDVSA-CQSZACIVSA-N 1 2 343.402 3.689 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(C(C)C)c1 ZINC000660168876 1039509318 /nfs/dbraw/zinc/50/93/18/1039509318.db2.gz GWPKFZTTZRBTEC-IBGZPJMESA-N 1 2 327.472 3.734 20 0 EHADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(C(C)C)c1 ZINC000660168876 1039509336 /nfs/dbraw/zinc/50/93/36/1039509336.db2.gz GWPKFZTTZRBTEC-IBGZPJMESA-N 1 2 327.472 3.734 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485748509 1039509522 /nfs/dbraw/zinc/50/95/22/1039509522.db2.gz FPOVQXNTUZSVIL-JBBXEZCESA-N 1 2 338.442 3.899 20 0 EHADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485748509 1039509530 /nfs/dbraw/zinc/50/95/30/1039509530.db2.gz FPOVQXNTUZSVIL-JBBXEZCESA-N 1 2 338.442 3.899 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)CC2CC(OC(C)(C)C)C2)c1C ZINC000488985870 1039525194 /nfs/dbraw/zinc/52/51/94/1039525194.db2.gz RRBJRFVCGSCHLS-UHFFFAOYSA-N 1 2 348.487 3.649 20 0 EHADLO C[N@H+](Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CCCC1 ZINC000042081538 1039532579 /nfs/dbraw/zinc/53/25/79/1039532579.db2.gz FEWLNDFXXFEHBS-UHFFFAOYSA-N 1 2 339.464 3.957 20 0 EHADLO C[N@@H+](Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CCCC1 ZINC000042081538 1039532593 /nfs/dbraw/zinc/53/25/93/1039532593.db2.gz FEWLNDFXXFEHBS-UHFFFAOYSA-N 1 2 339.464 3.957 20 0 EHADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1C(F)(F)F ZINC000432843698 1039536689 /nfs/dbraw/zinc/53/66/89/1039536689.db2.gz SCJHPLGXLOZHBY-SNVBAGLBSA-N 1 2 326.366 3.972 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000667672854 1039537281 /nfs/dbraw/zinc/53/72/81/1039537281.db2.gz JGZBSLXEKCILPZ-LAUBAEHRSA-N 1 2 341.451 3.674 20 0 EHADLO COC[C@H](C)Oc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000667672854 1039537295 /nfs/dbraw/zinc/53/72/95/1039537295.db2.gz JGZBSLXEKCILPZ-LAUBAEHRSA-N 1 2 341.451 3.674 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000489096143 1039606867 /nfs/dbraw/zinc/60/68/67/1039606867.db2.gz BWCHIKFYSMKYAW-HMECNJMJSA-N 1 2 337.467 3.963 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)C2(C(F)F)CCCC2)n1 ZINC000911963674 1039614010 /nfs/dbraw/zinc/61/40/10/1039614010.db2.gz NIYZIJIKZOQFJG-UHFFFAOYSA-N 1 2 331.432 3.749 20 0 EHADLO Cc1nc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C)o1 ZINC000660192263 1039695297 /nfs/dbraw/zinc/69/52/97/1039695297.db2.gz QYULOUNNIYNJJG-LLVKDONJSA-N 1 2 328.391 3.775 20 0 EHADLO Cc1nn(C)c2nc(NCCCc3cccc(C)[nH+]3)cc(Cl)c12 ZINC000893809793 1039720060 /nfs/dbraw/zinc/72/00/60/1039720060.db2.gz ASGGKTPYBGCTAT-UHFFFAOYSA-N 1 2 329.835 3.678 20 0 EHADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000553090920 1039754443 /nfs/dbraw/zinc/75/44/43/1039754443.db2.gz DTMZFYBNYUKNQT-CRAIPNDOSA-N 1 2 330.447 3.611 20 0 EHADLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)on1 ZINC000485995965 1039768567 /nfs/dbraw/zinc/76/85/67/1039768567.db2.gz MDHXEYYAWBEAIR-UHFFFAOYSA-N 1 2 347.484 3.852 20 0 EHADLO COCC[N@H+](Cc1cccnc1)Cc1ccccc1OC(F)(F)F ZINC000349007432 1039774827 /nfs/dbraw/zinc/77/48/27/1039774827.db2.gz NCOPECCVHZXNCR-UHFFFAOYSA-N 1 2 340.345 3.629 20 0 EHADLO COCC[N@@H+](Cc1cccnc1)Cc1ccccc1OC(F)(F)F ZINC000349007432 1039774844 /nfs/dbraw/zinc/77/48/44/1039774844.db2.gz NCOPECCVHZXNCR-UHFFFAOYSA-N 1 2 340.345 3.629 20 0 EHADLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)[nH+]1 ZINC000906859978 1039796352 /nfs/dbraw/zinc/79/63/52/1039796352.db2.gz OVLDCSSUNMVDRN-OAHLLOKOSA-N 1 2 334.423 3.684 20 0 EHADLO Cc1cc(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c(C)c[nH+]1 ZINC000554866348 1039851479 /nfs/dbraw/zinc/85/14/79/1039851479.db2.gz XYHLYVUXZNQRCK-GOSISDBHSA-N 1 2 347.821 3.876 20 0 EHADLO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)s1 ZINC000553218418 1039876352 /nfs/dbraw/zinc/87/63/52/1039876352.db2.gz LHFNZIRXGIOKAT-NSHDSACASA-N 1 2 338.423 3.556 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110172784 1039908820 /nfs/dbraw/zinc/90/88/20/1039908820.db2.gz AKOCPLICDOOPJX-OZVIIMIRSA-N 1 2 342.842 3.551 20 0 EHADLO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110172784 1039908834 /nfs/dbraw/zinc/90/88/34/1039908834.db2.gz AKOCPLICDOOPJX-OZVIIMIRSA-N 1 2 342.842 3.551 20 0 EHADLO Cc1cc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)cc[nH+]1 ZINC000486147542 1039919406 /nfs/dbraw/zinc/91/94/06/1039919406.db2.gz RESPZCMSIJELPH-UHFFFAOYSA-N 1 2 338.451 3.907 20 0 EHADLO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000912496045 1039921458 /nfs/dbraw/zinc/92/14/58/1039921458.db2.gz QLJNVJTVRGVWEG-OCCSQVGLSA-N 1 2 338.423 3.820 20 0 EHADLO Cc1cc(C)c(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)c(C)[nH+]1 ZINC000907091267 1039924280 /nfs/dbraw/zinc/92/42/80/1039924280.db2.gz PZDOLTBEXISQQI-SFHVURJKSA-N 1 2 340.467 3.539 20 0 EHADLO CO[C@H]1C[C@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000629273921 1039967902 /nfs/dbraw/zinc/96/79/02/1039967902.db2.gz YQKIFNQHIPXSAF-KZNAEPCWSA-N 1 2 335.407 3.593 20 0 EHADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000668977339 1039998841 /nfs/dbraw/zinc/99/88/41/1039998841.db2.gz FRBFEMWHICPUME-GOSISDBHSA-N 1 2 342.483 3.736 20 0 EHADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000907342733 1040008900 /nfs/dbraw/zinc/00/89/00/1040008900.db2.gz OJEMJJRWXHFQLX-CQSZACIVSA-N 1 2 349.356 3.528 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)nc2)CC(C)(C)O1 ZINC000480777854 1040017732 /nfs/dbraw/zinc/01/77/32/1040017732.db2.gz JGEDUMPVCYPFFS-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)CC(C)(C)O1 ZINC000480777854 1040017736 /nfs/dbraw/zinc/01/77/36/1040017736.db2.gz JGEDUMPVCYPFFS-HNNXBMFYSA-N 1 2 344.430 3.799 20 0 EHADLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)n1 ZINC000907408060 1040042729 /nfs/dbraw/zinc/04/27/29/1040042729.db2.gz AIZWPEBRANXTEU-MRXNPFEDSA-N 1 2 343.496 3.587 20 0 EHADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000907438852 1040046394 /nfs/dbraw/zinc/04/63/94/1040046394.db2.gz QJAGMHMHCUXNLF-HNNXBMFYSA-N 1 2 337.345 3.725 20 0 EHADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480848145 1040086774 /nfs/dbraw/zinc/08/67/74/1040086774.db2.gz WPYUSEUKLRXWKN-HXUWFJFHSA-N 1 2 344.430 3.801 20 0 EHADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000480848145 1040086787 /nfs/dbraw/zinc/08/67/87/1040086787.db2.gz WPYUSEUKLRXWKN-HXUWFJFHSA-N 1 2 344.430 3.801 20 0 EHADLO COC[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(C)o1 ZINC000660250301 1040102436 /nfs/dbraw/zinc/10/24/36/1040102436.db2.gz HENWZWONAGOLNJ-CYBMUJFWSA-N 1 2 329.318 3.806 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000584859393 1040124946 /nfs/dbraw/zinc/12/49/46/1040124946.db2.gz FIXVXUMETLJABG-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000584859393 1040124953 /nfs/dbraw/zinc/12/49/53/1040124953.db2.gz FIXVXUMETLJABG-INIZCTEOSA-N 1 2 332.831 3.804 20 0 EHADLO CC1(C)C[N@H+](Cc2c(F)cccc2Br)[C@H]1[C@H]1CCCO1 ZINC000584868578 1040169796 /nfs/dbraw/zinc/16/97/96/1040169796.db2.gz LEUSRSFDCUMCFK-CABCVRRESA-N 1 2 342.252 3.978 20 0 EHADLO CC1(C)C[N@@H+](Cc2c(F)cccc2Br)[C@H]1[C@H]1CCCO1 ZINC000584868578 1040169804 /nfs/dbraw/zinc/16/98/04/1040169804.db2.gz LEUSRSFDCUMCFK-CABCVRRESA-N 1 2 342.252 3.978 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907810607 1040178438 /nfs/dbraw/zinc/17/84/38/1040178438.db2.gz PNIAJIAOAGSZGK-CRAIPNDOSA-N 1 2 347.503 3.636 20 0 EHADLO CCC[C@@H](OCC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907810607 1040178455 /nfs/dbraw/zinc/17/84/55/1040178455.db2.gz PNIAJIAOAGSZGK-CRAIPNDOSA-N 1 2 347.503 3.636 20 0 EHADLO CC(F)(F)CCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814872 1040181074 /nfs/dbraw/zinc/18/10/74/1040181074.db2.gz IGGKCMWRPOARQS-CYBMUJFWSA-N 1 2 339.430 3.866 20 0 EHADLO CC(F)(F)CCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814872 1040181086 /nfs/dbraw/zinc/18/10/86/1040181086.db2.gz IGGKCMWRPOARQS-CYBMUJFWSA-N 1 2 339.430 3.866 20 0 EHADLO CN(C)C(=O)CC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432923376 1040183242 /nfs/dbraw/zinc/18/32/42/1040183242.db2.gz SEIZEQJNLAZYLW-UHFFFAOYSA-N 1 2 347.261 3.823 20 0 EHADLO O=C(CCC(F)(F)F)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816879 1040185200 /nfs/dbraw/zinc/18/52/00/1040185200.db2.gz YNWPRFHDEARGSE-LBPRGKRZSA-N 1 2 343.393 3.773 20 0 EHADLO O=C(CCC(F)(F)F)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816879 1040185208 /nfs/dbraw/zinc/18/52/08/1040185208.db2.gz YNWPRFHDEARGSE-LBPRGKRZSA-N 1 2 343.393 3.773 20 0 EHADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815732 1040185902 /nfs/dbraw/zinc/18/59/02/1040185902.db2.gz MPBVVIXRZHEKRA-IHWMJMDHSA-N 1 2 327.472 3.953 20 0 EHADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815732 1040185908 /nfs/dbraw/zinc/18/59/08/1040185908.db2.gz MPBVVIXRZHEKRA-IHWMJMDHSA-N 1 2 327.472 3.953 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000479388421 1040193188 /nfs/dbraw/zinc/19/31/88/1040193188.db2.gz WLFLNKLFHNILKF-XNJJOIOASA-N 1 2 326.843 3.777 20 0 EHADLO CC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000479388421 1040193204 /nfs/dbraw/zinc/19/32/04/1040193204.db2.gz WLFLNKLFHNILKF-XNJJOIOASA-N 1 2 326.843 3.777 20 0 EHADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432937268 1040223597 /nfs/dbraw/zinc/22/35/97/1040223597.db2.gz KABOTZVHIWFHGT-UHFFFAOYSA-N 1 2 336.867 3.657 20 0 EHADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432937268 1040223614 /nfs/dbraw/zinc/22/36/14/1040223614.db2.gz KABOTZVHIWFHGT-UHFFFAOYSA-N 1 2 336.867 3.657 20 0 EHADLO FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000668632673 1040226641 /nfs/dbraw/zinc/22/66/41/1040226641.db2.gz ZRLSQRZWSMQCMC-NWDGAFQWSA-N 1 2 334.407 3.943 20 0 EHADLO FC(F)(F)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000668632673 1040226656 /nfs/dbraw/zinc/22/66/56/1040226656.db2.gz ZRLSQRZWSMQCMC-NWDGAFQWSA-N 1 2 334.407 3.943 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H]1CCCc2occc21)Cc1ccccc1Cl ZINC000339239419 1040239333 /nfs/dbraw/zinc/23/93/33/1040239333.db2.gz WAXPEDCJEZCHGP-QGZVFWFLSA-N 1 2 346.858 3.949 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H]1CCCc2occc21)Cc1ccccc1Cl ZINC000339239419 1040239343 /nfs/dbraw/zinc/23/93/43/1040239343.db2.gz WAXPEDCJEZCHGP-QGZVFWFLSA-N 1 2 346.858 3.949 20 0 EHADLO Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC000669016840 1040239846 /nfs/dbraw/zinc/23/98/46/1040239846.db2.gz UNBSOTYTPKIHEX-BZUAXINKSA-N 1 2 327.428 3.569 20 0 EHADLO CCn1c[nH+]cc1CNc1cc(C(F)(F)F)ccc1OCCOC ZINC000417808718 1040241685 /nfs/dbraw/zinc/24/16/85/1040241685.db2.gz ANQIRDLSHWFPGJ-UHFFFAOYSA-N 1 2 343.349 3.559 20 0 EHADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000907958013 1040246781 /nfs/dbraw/zinc/24/67/81/1040246781.db2.gz DAVQVBFPMSXKFD-SFHVURJKSA-N 1 2 331.847 3.996 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC001143508114 1040251293 /nfs/dbraw/zinc/25/12/93/1040251293.db2.gz DUIBIWCRHMGPOC-IMRBUKKESA-N 1 2 347.764 3.600 20 0 EHADLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC001143508114 1040251301 /nfs/dbraw/zinc/25/13/01/1040251301.db2.gz DUIBIWCRHMGPOC-IMRBUKKESA-N 1 2 347.764 3.600 20 0 EHADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(CO)on2)ccc1OCC(C)C ZINC000924815767 1040253548 /nfs/dbraw/zinc/25/35/48/1040253548.db2.gz RFZFOLKOZTVGGP-KBPBESRZSA-N 1 2 348.443 3.622 20 0 EHADLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000490019101 1040310191 /nfs/dbraw/zinc/31/01/91/1040310191.db2.gz NJYVJEGDWIMQLU-UAGQMJEPSA-N 1 2 325.456 3.625 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000490049366 1040320125 /nfs/dbraw/zinc/32/01/25/1040320125.db2.gz YDDFADYSTCXGPN-QGZVFWFLSA-N 1 2 334.847 3.787 20 0 EHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000490049366 1040320137 /nfs/dbraw/zinc/32/01/37/1040320137.db2.gz YDDFADYSTCXGPN-QGZVFWFLSA-N 1 2 334.847 3.787 20 0 EHADLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091380 1040350715 /nfs/dbraw/zinc/35/07/15/1040350715.db2.gz PVGQVMMGLXHWSH-DTWKUNHWSA-N 1 2 337.411 3.506 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2C[C@H](CC(C)(C)C)OC2=O)n1 ZINC000190286188 1040374917 /nfs/dbraw/zinc/37/49/17/1040374917.db2.gz WSEXQJRJXORUDJ-RDJZCZTQSA-N 1 2 331.460 3.741 20 0 EHADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2C[C@H](CC(C)(C)C)OC2=O)n1 ZINC000190286188 1040374941 /nfs/dbraw/zinc/37/49/41/1040374941.db2.gz WSEXQJRJXORUDJ-RDJZCZTQSA-N 1 2 331.460 3.741 20 0 EHADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC000246639739 1040377976 /nfs/dbraw/zinc/37/79/76/1040377976.db2.gz WRSDVJCVFJXNFQ-SSKCKEOISA-N 1 2 339.407 3.522 20 0 EHADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC000246639739 1040377997 /nfs/dbraw/zinc/37/79/97/1040377997.db2.gz WRSDVJCVFJXNFQ-SSKCKEOISA-N 1 2 339.407 3.522 20 0 EHADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)c1 ZINC000512647694 1040388130 /nfs/dbraw/zinc/38/81/30/1040388130.db2.gz GHLCMQZKJTZRHQ-UHFFFAOYSA-N 1 2 341.430 3.792 20 0 EHADLO Cc1cc(N(C)C)ccc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000545735123 1040405587 /nfs/dbraw/zinc/40/55/87/1040405587.db2.gz MZLSVRJREUWPLH-UHFFFAOYSA-N 1 2 345.406 3.964 20 0 EHADLO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000486758074 1040413010 /nfs/dbraw/zinc/41/30/10/1040413010.db2.gz DAPHQKJNOFWHCS-LJQANCHMSA-N 1 2 335.407 3.977 20 0 EHADLO CC[C@@H](C)c1nnc([C@@H](C)Nc2cc(C(C)C)[nH+]c(C(C)C)n2)[nH]1 ZINC000486803575 1040472778 /nfs/dbraw/zinc/47/27/78/1040472778.db2.gz ZVSSYODEJSNEGO-CHWSQXEVSA-N 1 2 330.480 3.950 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1ccc(C(=O)C2CCC2)cc1)c1ccccc1 ZINC000490301323 1040485416 /nfs/dbraw/zinc/48/54/16/1040485416.db2.gz RHFYOQDCQLERAC-LJQANCHMSA-N 1 2 336.435 3.911 20 0 EHADLO O[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)C12CCCC2 ZINC000433024887 1040487466 /nfs/dbraw/zinc/48/74/66/1040487466.db2.gz ZQAFSEAYURYRPY-CYBMUJFWSA-N 1 2 346.215 3.607 20 0 EHADLO O[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)C12CCCC2 ZINC000433024887 1040487479 /nfs/dbraw/zinc/48/74/79/1040487479.db2.gz ZQAFSEAYURYRPY-CYBMUJFWSA-N 1 2 346.215 3.607 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@]1=O ZINC000433039136 1040526287 /nfs/dbraw/zinc/52/62/87/1040526287.db2.gz KJHPCOKCXHQQID-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[S@]1=O ZINC000433039136 1040526312 /nfs/dbraw/zinc/52/63/12/1040526312.db2.gz KJHPCOKCXHQQID-SFDCACGMSA-N 1 2 339.407 3.568 20 0 EHADLO CCC[N@@H+](Cc1ccccc1Br)Cc1cccnc1N ZINC000411201589 1040571906 /nfs/dbraw/zinc/57/19/06/1040571906.db2.gz LREGLYLYDPVJTC-UHFFFAOYSA-N 1 2 334.261 3.839 20 0 EHADLO CCC[N@H+](Cc1ccccc1Br)Cc1cccnc1N ZINC000411201589 1040571919 /nfs/dbraw/zinc/57/19/19/1040571919.db2.gz LREGLYLYDPVJTC-UHFFFAOYSA-N 1 2 334.261 3.839 20 0 EHADLO C[C@@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@]1=O ZINC000433056302 1040578168 /nfs/dbraw/zinc/57/81/68/1040578168.db2.gz HMXCDVTUTZLZIO-OSPHWJPCSA-N 1 2 349.540 3.989 20 0 EHADLO C[C@@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[S@@]1=O ZINC000433056302 1040578177 /nfs/dbraw/zinc/57/81/77/1040578177.db2.gz HMXCDVTUTZLZIO-OSPHWJPCSA-N 1 2 349.540 3.989 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2csc(Cl)c2)[nH+]1 ZINC000191384363 1040606749 /nfs/dbraw/zinc/60/67/49/1040606749.db2.gz LMGOIFMAHXLIQG-UHFFFAOYSA-N 1 2 339.844 3.911 20 0 EHADLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000759777906 1040620818 /nfs/dbraw/zinc/62/08/18/1040620818.db2.gz YORWMMGRUDEQSX-GOSISDBHSA-N 1 2 327.815 3.767 20 0 EHADLO CCOC(=O)c1cccc(C[NH2+]Cc2c(Cl)cccc2Cl)n1 ZINC000600128852 1040695671 /nfs/dbraw/zinc/69/56/71/1040695671.db2.gz CARNJLIHJVOKRE-UHFFFAOYSA-N 1 2 339.222 3.855 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000500209085 1040725951 /nfs/dbraw/zinc/72/59/51/1040725951.db2.gz XFKDKAMSKDGWNN-CVEARBPZSA-N 1 2 332.492 3.788 20 0 EHADLO O=C(/C=C\c1ccccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000490787156 1040738242 /nfs/dbraw/zinc/73/82/42/1040738242.db2.gz AZMUTKGSYXURTK-HJWRWDBZSA-N 1 2 341.842 3.533 20 0 EHADLO CCC[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1F ZINC000614223085 1040743293 /nfs/dbraw/zinc/74/32/93/1040743293.db2.gz RMXFDKBYTCKWJC-UHFFFAOYSA-N 1 2 326.415 3.627 20 0 EHADLO CCC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1F ZINC000614223085 1040743310 /nfs/dbraw/zinc/74/33/10/1040743310.db2.gz RMXFDKBYTCKWJC-UHFFFAOYSA-N 1 2 326.415 3.627 20 0 EHADLO CCC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000614223037 1040744342 /nfs/dbraw/zinc/74/43/42/1040744342.db2.gz HJJZFHQGLVDVIO-UHFFFAOYSA-N 1 2 328.431 3.696 20 0 EHADLO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000614223037 1040744360 /nfs/dbraw/zinc/74/43/60/1040744360.db2.gz HJJZFHQGLVDVIO-UHFFFAOYSA-N 1 2 328.431 3.696 20 0 EHADLO CCSc1cccc(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000411404953 1040826764 /nfs/dbraw/zinc/82/67/64/1040826764.db2.gz FYEANPJBIQPACM-UHFFFAOYSA-N 1 2 343.452 3.696 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cc(Cl)ccc1Cl ZINC000411442669 1040864576 /nfs/dbraw/zinc/86/45/76/1040864576.db2.gz HIYUVRGCYZNZOG-SECBINFHSA-N 1 2 348.251 3.841 20 0 EHADLO Nc1ccc(CCC(=O)OCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000759814730 1040872777 /nfs/dbraw/zinc/87/27/77/1040872777.db2.gz LMVORRKENSDCFM-UHFFFAOYSA-N 1 2 325.195 3.647 20 0 EHADLO CCCc1csc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000555584724 1040881908 /nfs/dbraw/zinc/88/19/08/1040881908.db2.gz CHQDVHIOHJJOGS-AWEZNQCLSA-N 1 2 344.402 3.938 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(Cl)c1Cl ZINC000411467761 1040886345 /nfs/dbraw/zinc/88/63/45/1040886345.db2.gz BXFBTVXNVHLLCY-SECBINFHSA-N 1 2 348.251 3.841 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc2ccccc21 ZINC000899654765 1040920747 /nfs/dbraw/zinc/92/07/47/1040920747.db2.gz IQCBBPAUUJIRPE-OXJNMPFZSA-N 1 2 333.435 3.866 20 0 EHADLO CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc2ccccc21 ZINC000899657413 1040944836 /nfs/dbraw/zinc/94/48/36/1040944836.db2.gz PKZPONGJGMERNZ-QFBILLFUSA-N 1 2 333.435 3.866 20 0 EHADLO Cc1cc(NC(=O)C[C@H](C)c2ccc(Br)cc2)cc[nH+]1 ZINC000500299147 1040974858 /nfs/dbraw/zinc/97/48/58/1040974858.db2.gz QMSUXRGAXIRIMS-NSHDSACASA-N 1 2 333.229 3.707 20 0 EHADLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)[nH+]c12 ZINC000586720678 1040989103 /nfs/dbraw/zinc/98/91/03/1040989103.db2.gz YPPRBBBTYASVIG-IXDOHACOSA-N 1 2 325.456 3.660 20 0 EHADLO Cc1cccn2cc(CC(=O)NCc3ccccc3C(F)(F)F)[nH+]c12 ZINC000586749940 1040994217 /nfs/dbraw/zinc/99/42/17/1040994217.db2.gz PCMUQTSZIALROL-UHFFFAOYSA-N 1 2 347.340 3.520 20 0 EHADLO OCC[N@H+](Cc1nc(C2CCCC2)no1)[C@H]1CCCc2ccccc21 ZINC000157356051 1041013485 /nfs/dbraw/zinc/01/34/85/1041013485.db2.gz BIIDCTYDYOQFMK-SFHVURJKSA-N 1 2 341.455 3.599 20 0 EHADLO OCC[N@@H+](Cc1nc(C2CCCC2)no1)[C@H]1CCCc2ccccc21 ZINC000157356051 1041013503 /nfs/dbraw/zinc/01/35/03/1041013503.db2.gz BIIDCTYDYOQFMK-SFHVURJKSA-N 1 2 341.455 3.599 20 0 EHADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487659694 1041016445 /nfs/dbraw/zinc/01/64/45/1041016445.db2.gz VPUWLRVOGWAPEQ-QZTJIDSGSA-N 1 2 338.455 3.519 20 0 EHADLO COCC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCCSC1 ZINC000433184637 1041018095 /nfs/dbraw/zinc/01/80/95/1041018095.db2.gz ZWBDJDLJVUMDLX-SNVBAGLBSA-N 1 2 340.436 3.506 20 0 EHADLO COCC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCCSC1 ZINC000433184637 1041018105 /nfs/dbraw/zinc/01/81/05/1041018105.db2.gz ZWBDJDLJVUMDLX-SNVBAGLBSA-N 1 2 340.436 3.506 20 0 EHADLO Cc1cc(NC(=O)CCCc2ccccc2Br)cc[nH+]1 ZINC000500317574 1041049578 /nfs/dbraw/zinc/04/95/78/1041049578.db2.gz QKJNQMNWWURJQO-UHFFFAOYSA-N 1 2 333.229 3.536 20 0 EHADLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(-c2ccccc2Cl)n1 ZINC000509815344 1041078007 /nfs/dbraw/zinc/07/80/07/1041078007.db2.gz RHVVXOBJMGEFMM-QZTJIDSGSA-N 1 2 345.874 3.884 20 0 EHADLO Cn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(-c2ccccc2Cl)n1 ZINC000509815344 1041078025 /nfs/dbraw/zinc/07/80/25/1041078025.db2.gz RHVVXOBJMGEFMM-QZTJIDSGSA-N 1 2 345.874 3.884 20 0 EHADLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000051992288 1041107493 /nfs/dbraw/zinc/10/74/93/1041107493.db2.gz WQUXVYMMCLRBOH-OAHLLOKOSA-N 1 2 329.444 3.853 20 0 EHADLO CCCCC[C@H]1CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000487794017 1041120862 /nfs/dbraw/zinc/12/08/62/1041120862.db2.gz BYFFYDNBQYUWDM-KRWDZBQOSA-N 1 2 332.492 3.516 20 0 EHADLO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194011398 1041190127 /nfs/dbraw/zinc/19/01/27/1041190127.db2.gz XSWBJDUBWUUXHM-UHFFFAOYSA-N 1 2 341.323 3.881 20 0 EHADLO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194011398 1041190134 /nfs/dbraw/zinc/19/01/34/1041190134.db2.gz XSWBJDUBWUUXHM-UHFFFAOYSA-N 1 2 341.323 3.881 20 0 EHADLO CO[C@@H](C[NH2+][C@](C)(c1noc(C)n1)C1CC1)c1ccc(Cl)cc1 ZINC000433321443 1041278062 /nfs/dbraw/zinc/27/80/62/1041278062.db2.gz NWOSGJSDTQZXAB-RDJZCZTQSA-N 1 2 335.835 3.634 20 0 EHADLO Cc1nc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c(C)o1 ZINC000660428419 1041287209 /nfs/dbraw/zinc/28/72/09/1041287209.db2.gz CDKJJKCKKQGOAW-AWEZNQCLSA-N 1 2 336.439 3.550 20 0 EHADLO Cc1nc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c(C)o1 ZINC000660428419 1041287216 /nfs/dbraw/zinc/28/72/16/1041287216.db2.gz CDKJJKCKKQGOAW-AWEZNQCLSA-N 1 2 336.439 3.550 20 0 EHADLO CCC1(CC)CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660433505 1041325768 /nfs/dbraw/zinc/32/57/68/1041325768.db2.gz NLWGBQJBQUMWGR-UHFFFAOYSA-N 1 2 344.503 3.662 20 0 EHADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)c1ccc(Cl)cc1 ZINC000066847949 1041363436 /nfs/dbraw/zinc/36/34/36/1041363436.db2.gz GYEOENDPRIMILL-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO O[C@@H](C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)c1ccc(Cl)cc1 ZINC000066847949 1041363444 /nfs/dbraw/zinc/36/34/44/1041363444.db2.gz GYEOENDPRIMILL-ZWKOTPCHSA-N 1 2 335.806 3.586 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000660442091 1041378801 /nfs/dbraw/zinc/37/88/01/1041378801.db2.gz NRSJPXIISPHCTI-ZYHUDNBSSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1Cl ZINC000660442091 1041378804 /nfs/dbraw/zinc/37/88/04/1041378804.db2.gz NRSJPXIISPHCTI-ZYHUDNBSSA-N 1 2 347.684 3.623 20 0 EHADLO C[C@@H](c1cccc(N=c2[nH]c3cc(F)ccc3o2)c1)[NH+]1CCOCC1 ZINC000511734807 1041492970 /nfs/dbraw/zinc/49/29/70/1041492970.db2.gz IARQVFRFOHZNMC-ZDUSSCGKSA-N 1 2 341.386 3.526 20 0 EHADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cs1 ZINC000111376768 1041547247 /nfs/dbraw/zinc/54/72/47/1041547247.db2.gz HOJIZQPQLBBJRK-NWDGAFQWSA-N 1 2 345.468 3.586 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCn2cccn2)cc1 ZINC000111283250 1041552220 /nfs/dbraw/zinc/55/22/20/1041552220.db2.gz KPEHURNOYXDVPY-HXUWFJFHSA-N 1 2 348.450 3.503 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCn2cccn2)cc1 ZINC000111283250 1041552224 /nfs/dbraw/zinc/55/22/24/1041552224.db2.gz KPEHURNOYXDVPY-HXUWFJFHSA-N 1 2 348.450 3.503 20 0 EHADLO COc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(Cl)c1OC ZINC000093864372 1041669821 /nfs/dbraw/zinc/66/98/21/1041669821.db2.gz YXEBIKINZBOCQC-CQSZACIVSA-N 1 2 349.862 3.600 20 0 EHADLO COc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(Cl)c1OC ZINC000093864372 1041669822 /nfs/dbraw/zinc/66/98/22/1041669822.db2.gz YXEBIKINZBOCQC-CQSZACIVSA-N 1 2 349.862 3.600 20 0 EHADLO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000651614057 1041789494 /nfs/dbraw/zinc/78/94/94/1041789494.db2.gz IZTGLYALBCLRDD-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000651614057 1041789504 /nfs/dbraw/zinc/78/95/04/1041789504.db2.gz IZTGLYALBCLRDD-INIZCTEOSA-N 1 2 333.229 3.887 20 0 EHADLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000660740958 1041799344 /nfs/dbraw/zinc/79/93/44/1041799344.db2.gz NCMTUDZGVUAULS-SFHVURJKSA-N 1 2 335.455 3.751 20 0 EHADLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000660740958 1041799350 /nfs/dbraw/zinc/79/93/50/1041799350.db2.gz NCMTUDZGVUAULS-SFHVURJKSA-N 1 2 335.455 3.751 20 0 EHADLO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799878 1041832096 /nfs/dbraw/zinc/83/20/96/1041832096.db2.gz INGAGQJFDPHKSK-CVEARBPZSA-N 1 2 337.341 3.735 20 0 EHADLO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660799878 1041832101 /nfs/dbraw/zinc/83/21/01/1041832101.db2.gz INGAGQJFDPHKSK-CVEARBPZSA-N 1 2 337.341 3.735 20 0 EHADLO CC[C@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CCO1 ZINC000027115602 1041884661 /nfs/dbraw/zinc/88/46/61/1041884661.db2.gz PZOGWFPPTGGVIU-INIZCTEOSA-N 1 2 329.440 3.836 20 0 EHADLO CC[C@H]1C[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CCO1 ZINC000027115602 1041884672 /nfs/dbraw/zinc/88/46/72/1041884672.db2.gz PZOGWFPPTGGVIU-INIZCTEOSA-N 1 2 329.440 3.836 20 0 EHADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CC(F)(F)C(F)F ZINC000796648575 1041951287 /nfs/dbraw/zinc/95/12/87/1041951287.db2.gz GCOYYAXEEZYLGO-OUAUKWLOSA-N 1 2 342.377 3.510 20 0 EHADLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)sc1C ZINC000661162564 1041977844 /nfs/dbraw/zinc/97/78/44/1041977844.db2.gz SMXLENJFLLJGHS-LBPRGKRZSA-N 1 2 333.457 3.560 20 0 EHADLO CC(C)[C@@H]([NH2+]Cc1cc2cnccc2o1)c1nc(-c2cccnc2)no1 ZINC000651751074 1041999901 /nfs/dbraw/zinc/99/99/01/1041999901.db2.gz JTNQUOCMJLZJJS-QGZVFWFLSA-N 1 2 349.394 3.760 20 0 EHADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)c[nH+]1 ZINC000661291798 1042052059 /nfs/dbraw/zinc/05/20/59/1042052059.db2.gz KOPCAKLCCYDJGQ-OAHLLOKOSA-N 1 2 339.439 3.584 20 0 EHADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cscn1 ZINC000661421670 1042113911 /nfs/dbraw/zinc/11/39/11/1042113911.db2.gz WFYPFSCLVFDZCU-STQMWFEESA-N 1 2 343.452 3.760 20 0 EHADLO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000661425053 1042114840 /nfs/dbraw/zinc/11/48/40/1042114840.db2.gz ROYDOIGDTGKWQZ-ZBFHGGJFSA-N 1 2 331.485 3.697 20 0 EHADLO COC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccc(OC)c1 ZINC000661479738 1042146887 /nfs/dbraw/zinc/14/68/87/1042146887.db2.gz ZGPUXPFWMJVNME-IBGZPJMESA-N 1 2 338.407 3.828 20 0 EHADLO Cc1cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)nc(C)n1 ZINC000661545518 1042181328 /nfs/dbraw/zinc/18/13/28/1042181328.db2.gz ULZJETBMTHDVNU-UHFFFAOYSA-N 1 2 336.464 3.775 20 0 EHADLO Cc1cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)nc(C)n1 ZINC000661545518 1042181333 /nfs/dbraw/zinc/18/13/33/1042181333.db2.gz ULZJETBMTHDVNU-UHFFFAOYSA-N 1 2 336.464 3.775 20 0 EHADLO CCn1nc(C[N@@H+]2CCOC3(C2)CCCCCC3)c2ccccc21 ZINC000473140052 1042281210 /nfs/dbraw/zinc/28/12/10/1042281210.db2.gz ATWOUEULFNOVPB-UHFFFAOYSA-N 1 2 327.472 3.981 20 0 EHADLO CCn1nc(C[N@H+]2CCOC3(C2)CCCCCC3)c2ccccc21 ZINC000473140052 1042281212 /nfs/dbraw/zinc/28/12/12/1042281212.db2.gz ATWOUEULFNOVPB-UHFFFAOYSA-N 1 2 327.472 3.981 20 0 EHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC(C)(C)F)c(C)c1 ZINC000661753397 1042306220 /nfs/dbraw/zinc/30/62/20/1042306220.db2.gz XNKMEIDMOPCGAX-KRWDZBQOSA-N 1 2 346.450 3.679 20 0 EHADLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000278854044 1042441653 /nfs/dbraw/zinc/44/16/53/1042441653.db2.gz RQBNYFXINOBSBP-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000278854044 1042441657 /nfs/dbraw/zinc/44/16/57/1042441657.db2.gz RQBNYFXINOBSBP-SECBINFHSA-N 1 2 338.732 3.692 20 0 EHADLO Cc1nsc(C)c1C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662052568 1042486232 /nfs/dbraw/zinc/48/62/32/1042486232.db2.gz SIMAHFQIGSZLFE-CYBMUJFWSA-N 1 2 331.268 3.890 20 0 EHADLO O[C@H](C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094338 1042515216 /nfs/dbraw/zinc/51/52/16/1042515216.db2.gz LVLWVXQVMLBKPK-NWDGAFQWSA-N 1 2 338.167 3.509 20 0 EHADLO O[C@H](C[N@H+]1CC[C@@H]1c1ccc(Br)cc1)CC(F)(F)F ZINC000662094338 1042515220 /nfs/dbraw/zinc/51/52/20/1042515220.db2.gz LVLWVXQVMLBKPK-NWDGAFQWSA-N 1 2 338.167 3.509 20 0 EHADLO Cc1cn2cc(NC(=O)NCC[C@H]3CCc4ccccc4N3)ccc2[nH+]1 ZINC000652575477 1042555404 /nfs/dbraw/zinc/55/54/04/1042555404.db2.gz BCRQZFYHVYDFPX-MRXNPFEDSA-N 1 2 349.438 3.581 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473165328 1042585850 /nfs/dbraw/zinc/58/58/50/1042585850.db2.gz YPJHLAMNOGFZAM-ZDUSSCGKSA-N 1 2 336.426 3.747 20 0 EHADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473165328 1042585852 /nfs/dbraw/zinc/58/58/52/1042585852.db2.gz YPJHLAMNOGFZAM-ZDUSSCGKSA-N 1 2 336.426 3.747 20 0 EHADLO OC1(CC[N@@H+]2CCc3[nH]c4c(cccc4Br)c3C2)CCC1 ZINC000663252739 1042597798 /nfs/dbraw/zinc/59/77/98/1042597798.db2.gz LZTUXVOTRLIHCP-UHFFFAOYSA-N 1 2 349.272 3.594 20 0 EHADLO OC1(CC[N@H+]2CCc3[nH]c4c(cccc4Br)c3C2)CCC1 ZINC000663252739 1042597801 /nfs/dbraw/zinc/59/78/01/1042597801.db2.gz LZTUXVOTRLIHCP-UHFFFAOYSA-N 1 2 349.272 3.594 20 0 EHADLO Cc1ccc2ncc(C[NH+]3CCN(C(=O)CC(C)(C)C)CC3)cc2c1 ZINC000662242455 1042628830 /nfs/dbraw/zinc/62/88/30/1042628830.db2.gz LCWBAQWTOBSNNF-UHFFFAOYSA-N 1 2 339.483 3.624 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662244790 1042632546 /nfs/dbraw/zinc/63/25/46/1042632546.db2.gz VDUYMBZZDOCPEQ-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662244790 1042632548 /nfs/dbraw/zinc/63/25/48/1042632548.db2.gz VDUYMBZZDOCPEQ-ZWNOBZJWSA-N 1 2 339.304 3.830 20 0 EHADLO Cc1cc(C[NH+]2CCC(OC3CCC3)CC2)ncc1Br ZINC000628313894 1042662589 /nfs/dbraw/zinc/66/25/89/1042662589.db2.gz GHUREDOVGPJLIO-UHFFFAOYSA-N 1 2 339.277 3.686 20 0 EHADLO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000043171122 1042697498 /nfs/dbraw/zinc/69/74/98/1042697498.db2.gz KKYQTZNTFOTNCM-MRXNPFEDSA-N 1 2 347.503 3.776 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)CCc2ccccc2C)n1 ZINC000728862226 1042722323 /nfs/dbraw/zinc/72/23/23/1042722323.db2.gz WNBPHCUNDRCPFB-UHFFFAOYSA-N 1 2 331.485 3.865 20 0 EHADLO Cc1ccccc1COC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001204660620 1042743292 /nfs/dbraw/zinc/74/32/92/1042743292.db2.gz JRKVSEBBLZZUKK-UHFFFAOYSA-N 1 2 329.465 3.920 20 0 EHADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)C[C@H]1COc2ccccc2O1 ZINC000067374884 1042776973 /nfs/dbraw/zinc/77/69/73/1042776973.db2.gz LDIJSKWDPWXMMV-ZDUSSCGKSA-N 1 2 342.420 3.675 20 0 EHADLO C[N@H+](Cc1ncc(-c2cccs2)o1)C[C@H]1COc2ccccc2O1 ZINC000067374884 1042776977 /nfs/dbraw/zinc/77/69/77/1042776977.db2.gz LDIJSKWDPWXMMV-ZDUSSCGKSA-N 1 2 342.420 3.675 20 0 EHADLO Clc1cnc(N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000216292608 1042815891 /nfs/dbraw/zinc/81/58/91/1042815891.db2.gz GTUHJNVDVXALFC-UHFFFAOYSA-N 1 2 328.268 3.772 20 0 EHADLO Cc1cc(CNc2ccccc2C[S@@](C)=O)c2c([nH+]1)CCCC2 ZINC000893606194 1042858367 /nfs/dbraw/zinc/85/83/67/1042858367.db2.gz OHEOMQIGQYXUQZ-HSZRJFAPSA-N 1 2 328.481 3.759 20 0 EHADLO Clc1ccc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000278902488 1042885640 /nfs/dbraw/zinc/88/56/40/1042885640.db2.gz PMOCWDOKGFITCI-UHFFFAOYSA-N 1 2 330.863 3.647 20 0 EHADLO COc1cc(C)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066965893 1042896009 /nfs/dbraw/zinc/89/60/09/1042896009.db2.gz OOTDYKCZHNQSNF-UHFFFAOYSA-N 1 2 336.395 3.511 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026476432 1042940411 /nfs/dbraw/zinc/94/04/11/1042940411.db2.gz CRQZRFUQSJYSEE-CHWSQXEVSA-N 1 2 344.377 3.687 20 0 EHADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026476432 1042940413 /nfs/dbraw/zinc/94/04/13/1042940413.db2.gz CRQZRFUQSJYSEE-CHWSQXEVSA-N 1 2 344.377 3.687 20 0 EHADLO Cc1nc2ccccc2nc1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000303737762 1042944547 /nfs/dbraw/zinc/94/45/47/1042944547.db2.gz XGLFPHPIHHHGKU-QGZVFWFLSA-N 1 2 342.393 3.931 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000008308334 1042952049 /nfs/dbraw/zinc/95/20/49/1042952049.db2.gz BPNOWCZYVLAXHZ-UHFFFAOYSA-N 1 2 344.430 3.776 20 0 EHADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000008308334 1042952053 /nfs/dbraw/zinc/95/20/53/1042952053.db2.gz BPNOWCZYVLAXHZ-UHFFFAOYSA-N 1 2 344.430 3.776 20 0 EHADLO Cc1ncc2c(n1)CC[C@@H](Nc1[nH+]cccc1OCc1ccccc1)C2 ZINC000663503552 1042953127 /nfs/dbraw/zinc/95/31/27/1042953127.db2.gz PBDWXYHCBULTBO-GOSISDBHSA-N 1 2 346.434 3.728 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028175434 1042961677 /nfs/dbraw/zinc/96/16/77/1042961677.db2.gz DBQFBPRYOYMEEG-CABCVRRESA-N 1 2 328.481 3.681 20 0 EHADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000028175434 1042961684 /nfs/dbraw/zinc/96/16/84/1042961684.db2.gz DBQFBPRYOYMEEG-CABCVRRESA-N 1 2 328.481 3.681 20 0 EHADLO COc1cccc(CC2CC[NH+](Cc3nn(C)cc3Cl)CC2)c1 ZINC000643251933 1042986531 /nfs/dbraw/zinc/98/65/31/1042986531.db2.gz ZVVAOAGMUAKQRK-UHFFFAOYSA-N 1 2 333.863 3.537 20 0 EHADLO Cc1ncsc1CNc1nc[nH+]c(NCc2scnc2C)c1C ZINC000663545611 1042987021 /nfs/dbraw/zinc/98/70/21/1042987021.db2.gz NHOHLGSBXBDVMY-UHFFFAOYSA-N 1 2 346.485 3.539 20 0 EHADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2Cl)OCCO3)on1 ZINC000343984420 1043058046 /nfs/dbraw/zinc/05/80/46/1043058046.db2.gz PIWHLMYLUTZRIL-CQSZACIVSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2Cl)OCCO3)on1 ZINC000343984420 1043058058 /nfs/dbraw/zinc/05/80/58/1043058058.db2.gz PIWHLMYLUTZRIL-CQSZACIVSA-N 1 2 334.803 3.745 20 0 EHADLO Cc1cc2cc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc2[nH]1 ZINC000344005059 1043090365 /nfs/dbraw/zinc/09/03/65/1043090365.db2.gz DNPNTISKRIECOZ-UHFFFAOYSA-N 1 2 330.391 3.592 20 0 EHADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000344062686 1043188422 /nfs/dbraw/zinc/18/84/22/1043188422.db2.gz OVCWEIAAODTCLE-UHFFFAOYSA-N 1 2 349.544 3.880 20 0 EHADLO O=C(CCc1cccs1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279055574 1043274307 /nfs/dbraw/zinc/27/43/07/1043274307.db2.gz ZMTGTKYCCBCCLF-UHFFFAOYSA-N 1 2 343.496 3.620 20 0 EHADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000344203496 1043422214 /nfs/dbraw/zinc/42/22/14/1043422214.db2.gz PEBRRKZDOOXEME-UHFFFAOYSA-N 1 2 342.786 3.822 20 0 EHADLO C[C@H]1CSCC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000606452124 1043448640 /nfs/dbraw/zinc/44/86/40/1043448640.db2.gz HRRORFRVGZAWIL-INIZCTEOSA-N 1 2 332.513 3.790 20 0 EHADLO C[C@H]1CSCC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000606452124 1043448649 /nfs/dbraw/zinc/44/86/49/1043448649.db2.gz HRRORFRVGZAWIL-INIZCTEOSA-N 1 2 332.513 3.790 20 0 EHADLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1C2CC3CC(C2)CC1C3 ZINC000344231054 1043488387 /nfs/dbraw/zinc/48/83/87/1043488387.db2.gz XSAULBZKSSKMMX-UHFFFAOYSA-N 1 2 335.451 3.769 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344257486 1043535914 /nfs/dbraw/zinc/53/59/14/1043535914.db2.gz JLEMABQTXRJDCY-CYBMUJFWSA-N 1 2 332.831 3.559 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCCc2occc2C1)c1ccc(Cl)cc1 ZINC000344257486 1043535922 /nfs/dbraw/zinc/53/59/22/1043535922.db2.gz JLEMABQTXRJDCY-CYBMUJFWSA-N 1 2 332.831 3.559 20 0 EHADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279205569 1043561208 /nfs/dbraw/zinc/56/12/08/1043561208.db2.gz LREHVPCSPNWJIO-GFCCVEGCSA-N 1 2 340.452 3.652 20 0 EHADLO O=C(NCC1(c2ccccc2)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344297824 1043620505 /nfs/dbraw/zinc/62/05/05/1043620505.db2.gz CZDWTHRZDGYTLK-UHFFFAOYSA-N 1 2 331.419 3.724 20 0 EHADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3ccccc3[nH]2)cc1OC ZINC000344304657 1043639120 /nfs/dbraw/zinc/63/91/20/1043639120.db2.gz FGKKQGKOEKAOTG-LLVKDONJSA-N 1 2 329.375 3.570 20 0 EHADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CCO2 ZINC000041012807 1043753870 /nfs/dbraw/zinc/75/38/70/1043753870.db2.gz NZEMJAOPHDLQAT-LLVKDONJSA-N 1 2 325.231 3.519 20 0 EHADLO O=C(NC1CC1)c1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000631283099 1043782252 /nfs/dbraw/zinc/78/22/52/1043782252.db2.gz HVTVIAXSPINSGH-GOSISDBHSA-N 1 2 330.378 3.518 20 0 EHADLO O=C(Nc1nccc2sccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000162766443 1043783609 /nfs/dbraw/zinc/78/36/09/1043783609.db2.gz SZEUWNRYGKHLDZ-UHFFFAOYSA-N 1 2 334.404 3.793 20 0 EHADLO C[C@H]1CCN(c2cc(Nc3ccccc3)ncn2)C[C@@H]1n1cc[nH+]c1 ZINC000663714421 1043789308 /nfs/dbraw/zinc/78/93/08/1043789308.db2.gz UITCRYKNDCVUGT-RDJZCZTQSA-N 1 2 334.427 3.504 20 0 EHADLO C[C@@H]1CCN(c2ccc(Nc3ccccc3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000663713985 1043791041 /nfs/dbraw/zinc/79/10/41/1043791041.db2.gz KKBSBQPNPMAQGO-WBVHZDCISA-N 1 2 334.427 3.504 20 0 EHADLO O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344497477 1044074301 /nfs/dbraw/zinc/07/43/01/1044074301.db2.gz VEFSGXPCQAFCAQ-UHFFFAOYSA-N 1 2 349.409 3.863 20 0 EHADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000344498313 1044075090 /nfs/dbraw/zinc/07/50/90/1044075090.db2.gz JTYCFTRSSPYQKA-IBGZPJMESA-N 1 2 343.398 3.583 20 0 EHADLO CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000096992517 1044113860 /nfs/dbraw/zinc/11/38/60/1044113860.db2.gz OXYVXTXOPFMFLN-OALUTQOASA-N 1 2 342.483 3.696 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000279529704 1044192150 /nfs/dbraw/zinc/19/21/50/1044192150.db2.gz VUSIFBZPXKQKLP-INIZCTEOSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)c1nnc(C[NH2+]Cc2ccc(OCC(F)F)cc2)s1 ZINC000344629342 1044214872 /nfs/dbraw/zinc/21/48/72/1044214872.db2.gz JMYBUKJYNLNZJG-UHFFFAOYSA-N 1 2 327.400 3.595 20 0 EHADLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000279739714 1044513317 /nfs/dbraw/zinc/51/33/17/1044513317.db2.gz DKEGTOKXGXEINU-KGLIPLIRSA-N 1 2 333.863 3.657 20 0 EHADLO O=C(C1CCCCC1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000512294692 1044570405 /nfs/dbraw/zinc/57/04/05/1044570405.db2.gz QUSCKVMNFWYTKY-SNAWJCMRSA-N 1 2 330.447 3.563 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841740 1044734185 /nfs/dbraw/zinc/73/41/85/1044734185.db2.gz RQXUDCDOVKFASZ-QWHCGFSZSA-N 1 2 327.827 3.810 20 0 EHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841740 1044734202 /nfs/dbraw/zinc/73/42/02/1044734202.db2.gz RQXUDCDOVKFASZ-QWHCGFSZSA-N 1 2 327.827 3.810 20 0 EHADLO O=C(CCc1cscn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338110242 1044736390 /nfs/dbraw/zinc/73/63/90/1044736390.db2.gz AKFZSLLVAUBNPU-UHFFFAOYSA-N 1 2 332.816 3.554 20 0 EHADLO CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCO1 ZINC000279876432 1044792503 /nfs/dbraw/zinc/79/25/03/1044792503.db2.gz DXFCEEOKDZHSQT-ZBFHGGJFSA-N 1 2 327.428 3.919 20 0 EHADLO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000279897642 1044818476 /nfs/dbraw/zinc/81/84/76/1044818476.db2.gz VRTZJVWVKPDMLM-RBUKOAKNSA-N 1 2 325.456 3.538 20 0 EHADLO C[C@H](CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000620340769 1125554231 /nfs/dbraw/zinc/55/42/31/1125554231.db2.gz SIGBJGZYOYHVQM-NEPJUHHUSA-N 1 2 325.334 3.730 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](C2CCCCC2)C1 ZINC000620694394 1125655744 /nfs/dbraw/zinc/65/57/44/1125655744.db2.gz VSPQAFKEJPBWKJ-KRWDZBQOSA-N 1 2 329.488 3.581 20 0 EHADLO Cc1oc2nc(C[NH2+][C@@H](c3ncccc3C)C(C)C)nc(N)c2c1C ZINC000154380433 1125715705 /nfs/dbraw/zinc/71/57/05/1125715705.db2.gz RGYXECXHZVBITB-MRXNPFEDSA-N 1 2 339.443 3.612 20 0 EHADLO COc1ccc(C[C@H](C)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000154909193 1125765524 /nfs/dbraw/zinc/76/55/24/1125765524.db2.gz KTWZUGDTHPPPKR-HNNXBMFYSA-N 1 2 335.407 3.698 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000154973708 1125771533 /nfs/dbraw/zinc/77/15/33/1125771533.db2.gz JLNPJOXRRAFFDT-JUNHRQJPSA-N 1 2 329.488 3.728 20 0 EHADLO CCOCCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185071392 1126749277 /nfs/dbraw/zinc/74/92/77/1126749277.db2.gz OHRIRXOQUROQOY-SNVBAGLBSA-N 1 2 334.229 3.761 20 0 EHADLO c1csc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000171119136 1126751668 /nfs/dbraw/zinc/75/16/68/1126751668.db2.gz QPKDTHGIKCSQLA-AWEZNQCLSA-N 1 2 327.453 3.806 20 0 EHADLO c1csc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000171119136 1126751673 /nfs/dbraw/zinc/75/16/73/1126751673.db2.gz QPKDTHGIKCSQLA-AWEZNQCLSA-N 1 2 327.453 3.806 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000171939137 1126770761 /nfs/dbraw/zinc/77/07/61/1126770761.db2.gz QCEYZOHAAGMIRB-GFCCVEGCSA-N 1 2 341.436 3.633 20 0 EHADLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000171939137 1126770764 /nfs/dbraw/zinc/77/07/64/1126770764.db2.gz QCEYZOHAAGMIRB-GFCCVEGCSA-N 1 2 341.436 3.633 20 0 EHADLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000174231025 1126850429 /nfs/dbraw/zinc/85/04/29/1126850429.db2.gz OEFINJCIPSDTDZ-QWHCGFSZSA-N 1 2 348.393 3.960 20 0 EHADLO CC(C)(C)OCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456241 1126871475 /nfs/dbraw/zinc/87/14/75/1126871475.db2.gz OYLKWGJASHIXBJ-HNNXBMFYSA-N 1 2 331.378 3.894 20 0 EHADLO CC(C)(C)OCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456241 1126871477 /nfs/dbraw/zinc/87/14/77/1126871477.db2.gz OYLKWGJASHIXBJ-HNNXBMFYSA-N 1 2 331.378 3.894 20 0 EHADLO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(C)ccc1OC ZINC000623234780 1126900487 /nfs/dbraw/zinc/90/04/87/1126900487.db2.gz WMPXSNDSUDDGOH-UYAOXDASSA-N 1 2 338.451 3.758 20 0 EHADLO Brc1ccnc2c1C[N@@H+]([C@H]1CCc3ccccc31)CC2 ZINC000623287244 1126909646 /nfs/dbraw/zinc/90/96/46/1126909646.db2.gz VVWQDTDBQIFQQN-KRWDZBQOSA-N 1 2 329.241 3.890 20 0 EHADLO Brc1ccnc2c1C[N@H+]([C@H]1CCc3ccccc31)CC2 ZINC000623287244 1126909647 /nfs/dbraw/zinc/90/96/47/1126909647.db2.gz VVWQDTDBQIFQQN-KRWDZBQOSA-N 1 2 329.241 3.890 20 0 EHADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1sc2cc(F)ccc2c1Cl ZINC000623298241 1126910636 /nfs/dbraw/zinc/91/06/36/1126910636.db2.gz YPFHWZHZOLRUGC-JTQLQIEISA-N 1 2 349.818 3.635 20 0 EHADLO CCC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000623296097 1126910751 /nfs/dbraw/zinc/91/07/51/1126910751.db2.gz ATXYKWFDTOCVGL-WBVHZDCISA-N 1 2 331.847 3.551 20 0 EHADLO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623301820 1126911415 /nfs/dbraw/zinc/91/14/15/1126911415.db2.gz UKKXOIUZSHFUOB-WJWCEJSTSA-N 1 2 343.515 3.947 20 0 EHADLO Cc1oc(C)c(C(=O)OCCOCCCc2cccc(C)[nH+]2)c1C ZINC000072884236 1126911460 /nfs/dbraw/zinc/91/14/60/1126911460.db2.gz QJMNLASUDQDICH-UHFFFAOYSA-N 1 2 331.412 3.714 20 0 EHADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000380074556 1126942715 /nfs/dbraw/zinc/94/27/15/1126942715.db2.gz QBRQYBBGXVBWGW-UHFFFAOYSA-N 1 2 344.212 3.564 20 0 EHADLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000185644636 1126967691 /nfs/dbraw/zinc/96/76/91/1126967691.db2.gz LUGALICBQJLJBK-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000185644636 1126967692 /nfs/dbraw/zinc/96/76/92/1126967692.db2.gz LUGALICBQJLJBK-SFHVURJKSA-N 1 2 333.815 3.628 20 0 EHADLO Cn1c(C[N@H+](CCC(F)(F)F)CC2CC2)nnc1-c1ccccc1 ZINC000177167119 1126978209 /nfs/dbraw/zinc/97/82/09/1126978209.db2.gz FQNMSIWGMQMFFB-UHFFFAOYSA-N 1 2 338.377 3.647 20 0 EHADLO Cn1c(C[N@@H+](CCC(F)(F)F)CC2CC2)nnc1-c1ccccc1 ZINC000177167119 1126978212 /nfs/dbraw/zinc/97/82/12/1126978212.db2.gz FQNMSIWGMQMFFB-UHFFFAOYSA-N 1 2 338.377 3.647 20 0 EHADLO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(Br)cc(F)c1O ZINC000185679288 1126981312 /nfs/dbraw/zinc/98/13/12/1126981312.db2.gz LKEYNXVDMBHQIJ-LKFCYVNXSA-N 1 2 332.213 3.514 20 0 EHADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2csc(C(F)(F)F)c2)nn1 ZINC000623553064 1126983525 /nfs/dbraw/zinc/98/35/25/1126983525.db2.gz CDKMRGJUXZIVKB-UHFFFAOYSA-N 1 2 332.395 3.964 20 0 EHADLO O=C(OC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185801576 1127034332 /nfs/dbraw/zinc/03/43/32/1127034332.db2.gz YVMCWLIGXGEMBR-UYAOXDASSA-N 1 2 348.402 3.807 20 0 EHADLO Cc1nc(CC2CC2)oc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000350062378 1127061359 /nfs/dbraw/zinc/06/13/59/1127061359.db2.gz CWOWJKSNZRJOPV-UHFFFAOYSA-N 1 2 347.378 3.838 20 0 EHADLO CC(C)Oc1ccc(Cl)cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000350202282 1127066820 /nfs/dbraw/zinc/06/68/20/1127066820.db2.gz SPGIWSIIXLVNFN-UHFFFAOYSA-N 1 2 332.791 3.502 20 0 EHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(C)cc(C)cc2C)c1C ZINC000179892291 1127097826 /nfs/dbraw/zinc/09/78/26/1127097826.db2.gz WTPOVVBNVWASMY-UHFFFAOYSA-N 1 2 340.467 3.833 20 0 EHADLO CC(C)(C)n1cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cn1 ZINC000350945081 1127123167 /nfs/dbraw/zinc/12/31/67/1127123167.db2.gz IEMOVCUKEHOHMP-UHFFFAOYSA-N 1 2 334.383 3.541 20 0 EHADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1cccc2ccccc21 ZINC000180268983 1127139097 /nfs/dbraw/zinc/13/90/97/1127139097.db2.gz AOZMSYVFNRLAKS-UHFFFAOYSA-N 1 2 331.419 3.838 20 0 EHADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1cccc2ccccc21 ZINC000180268983 1127139100 /nfs/dbraw/zinc/13/91/00/1127139100.db2.gz AOZMSYVFNRLAKS-UHFFFAOYSA-N 1 2 331.419 3.838 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(CCC(C)C)no1)c1ccc2c(c1)OCCO2 ZINC000180626502 1127177311 /nfs/dbraw/zinc/17/73/11/1127177311.db2.gz KGRNCDVMHGPTAB-HNNXBMFYSA-N 1 2 345.443 3.670 20 0 EHADLO C=CCSCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185969060 1127216560 /nfs/dbraw/zinc/21/65/60/1127216560.db2.gz BYLWYFBBDNSYDK-SECBINFHSA-N 1 2 334.254 3.864 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)[nH]1 ZINC000623925601 1127217792 /nfs/dbraw/zinc/21/77/92/1127217792.db2.gz KGFSXPBPUHEHBJ-BDAKNGLRSA-N 1 2 330.329 3.937 20 0 EHADLO Cn1cc([C@H](Nc2nc3ccccc3n3c[nH+]cc23)C(C)(C)C)cn1 ZINC000624028615 1127236629 /nfs/dbraw/zinc/23/66/29/1127236629.db2.gz WUVJLCWSCHWDPL-KRWDZBQOSA-N 1 2 334.427 3.815 20 0 EHADLO CCO[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000624159750 1127261101 /nfs/dbraw/zinc/26/11/01/1127261101.db2.gz OLHUKBBVMQTNBN-SFHVURJKSA-N 1 2 341.455 3.886 20 0 EHADLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000181736662 1127293254 /nfs/dbraw/zinc/29/32/54/1127293254.db2.gz ZSFXLGFIFBVKQQ-LLVKDONJSA-N 1 2 336.794 3.777 20 0 EHADLO C[C@@H](N1CC[NH+](CCCc2ccccc2Cl)CC1)C(F)(F)F ZINC000181955663 1127304603 /nfs/dbraw/zinc/30/46/03/1127304603.db2.gz SBKGGTNQUORAQG-CYBMUJFWSA-N 1 2 334.813 3.841 20 0 EHADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000182051244 1127309916 /nfs/dbraw/zinc/30/99/16/1127309916.db2.gz FWEZGGINMOOQJZ-SUMWQHHRSA-N 1 2 333.432 3.663 20 0 EHADLO CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)[C@@H]1c1cccnc1 ZINC000624237621 1127333839 /nfs/dbraw/zinc/33/38/39/1127333839.db2.gz AEKHVZRZNIQAKQ-GOSISDBHSA-N 1 2 329.407 3.865 20 0 EHADLO CC[C@H]([NH2+]Cc1ccc(F)cc1Br)c1nccn1C ZINC000182561256 1127337188 /nfs/dbraw/zinc/33/71/88/1127337188.db2.gz QEKXUNVEOSNKGF-ZDUSSCGKSA-N 1 2 326.213 3.563 20 0 EHADLO CC(C)C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccn1 ZINC000182871649 1127351904 /nfs/dbraw/zinc/35/19/04/1127351904.db2.gz GHVBWKPULWAWEC-SFHVURJKSA-N 1 2 326.444 3.513 20 0 EHADLO CC(C)Cn1cc(C[N@H+](C)Cc2csc(Br)c2)cn1 ZINC000183143612 1127364727 /nfs/dbraw/zinc/36/47/27/1127364727.db2.gz WPHKXOKYVKEEFA-UHFFFAOYSA-N 1 2 342.306 3.995 20 0 EHADLO CC(C)Cn1cc(C[N@@H+](C)Cc2csc(Br)c2)cn1 ZINC000183143612 1127364731 /nfs/dbraw/zinc/36/47/31/1127364731.db2.gz WPHKXOKYVKEEFA-UHFFFAOYSA-N 1 2 342.306 3.995 20 0 EHADLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000183084743 1127362053 /nfs/dbraw/zinc/36/20/53/1127362053.db2.gz ADQNSXVWOAYJRO-JTDSTZFVSA-N 1 2 340.471 3.555 20 0 EHADLO CC1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183355132 1127374136 /nfs/dbraw/zinc/37/41/36/1127374136.db2.gz GXSJLRVECBAWFT-FQEVSTJZSA-N 1 2 327.447 3.632 20 0 EHADLO COc1cccc(-c2nc(C[NH2+][C@@H](CO)c3ccccc3)cs2)c1 ZINC000183639701 1127383176 /nfs/dbraw/zinc/38/31/76/1127383176.db2.gz RHRWFJUBDVKANH-SFHVURJKSA-N 1 2 340.448 3.642 20 0 EHADLO CSc1ccc(NC(=O)C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000183974465 1127390905 /nfs/dbraw/zinc/39/09/05/1127390905.db2.gz WSVOATKNJKOOHN-UHFFFAOYSA-N 1 2 335.498 3.637 20 0 EHADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)n1 ZINC000184156107 1127396364 /nfs/dbraw/zinc/39/63/64/1127396364.db2.gz SHFAAZYBRBSBQW-NEPJUHHUSA-N 1 2 337.876 3.633 20 0 EHADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000184277515 1127400304 /nfs/dbraw/zinc/40/03/04/1127400304.db2.gz LDHAHFUBAKCQKZ-UWVGGRQHSA-N 1 2 348.497 3.778 20 0 EHADLO C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000184473721 1127405739 /nfs/dbraw/zinc/40/57/39/1127405739.db2.gz AYCXAMXHLZNPRH-KBPBESRZSA-N 1 2 345.512 3.969 20 0 EHADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184730126 1127412449 /nfs/dbraw/zinc/41/24/49/1127412449.db2.gz FMUHFWNSOQUIBP-NVXWUHKLSA-N 1 2 330.428 3.509 20 0 EHADLO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1nccs1 ZINC000185040614 1127418790 /nfs/dbraw/zinc/41/87/90/1127418790.db2.gz FRTAZHLYFZOVHA-BXUZGUMPSA-N 1 2 337.876 3.715 20 0 EHADLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c(Br)c1O ZINC000580015503 1127422950 /nfs/dbraw/zinc/42/29/50/1127422950.db2.gz NCMZGXURFZXFPZ-HNNXBMFYSA-N 1 2 340.261 3.784 20 0 EHADLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c(Br)c1O ZINC000580015503 1127422953 /nfs/dbraw/zinc/42/29/53/1127422953.db2.gz NCMZGXURFZXFPZ-HNNXBMFYSA-N 1 2 340.261 3.784 20 0 EHADLO CCC[C@@H](NC(=O)C[NH2+][C@@H](CC)c1nccs1)c1ccccc1 ZINC000185106344 1127420738 /nfs/dbraw/zinc/42/07/38/1127420738.db2.gz VFMIVSJTRHNLOR-JKSUJKDBSA-N 1 2 331.485 3.841 20 0 EHADLO C[C@@H](NC(=O)N1CCCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185558939 1127427638 /nfs/dbraw/zinc/42/76/38/1127427638.db2.gz BCISWYQITXGPSX-JKSUJKDBSA-N 1 2 326.444 3.765 20 0 EHADLO COc1ccc([C@H](C)OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000764419623 1127491614 /nfs/dbraw/zinc/49/16/14/1127491614.db2.gz ODXXENHSXRSPEO-HNNXBMFYSA-N 1 2 336.391 3.858 20 0 EHADLO Cc1cc(NC[C@H](NC(=O)OC(C)(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC000734832816 1127528564 /nfs/dbraw/zinc/52/85/64/1127528564.db2.gz BMWUQIFTPKJCSE-AWEZNQCLSA-N 1 2 334.464 3.624 20 0 EHADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cc(C)cc3F)CC2)c1 ZINC001127836637 1127584045 /nfs/dbraw/zinc/58/40/45/1127584045.db2.gz IOPUUBGQMMNOEL-UHFFFAOYSA-N 1 2 344.405 3.540 20 0 EHADLO CC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000654607115 1127594096 /nfs/dbraw/zinc/59/40/96/1127594096.db2.gz SGRMYIYYTOIWGM-XJKSGUPXSA-N 1 2 330.407 3.589 20 0 EHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000765316857 1127596038 /nfs/dbraw/zinc/59/60/38/1127596038.db2.gz XMGUCPHZCWFDLV-XHPSBEMXSA-N 1 2 344.455 3.806 20 0 EHADLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1OC(C)C ZINC000010896017 1127634523 /nfs/dbraw/zinc/63/45/23/1127634523.db2.gz WTFXHLQUZIHELK-UHFFFAOYSA-N 1 2 339.395 3.919 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000171957201 1127638072 /nfs/dbraw/zinc/63/80/72/1127638072.db2.gz GZNLAPPIPBCUAM-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000171957201 1127638075 /nfs/dbraw/zinc/63/80/75/1127638075.db2.gz GZNLAPPIPBCUAM-AWEZNQCLSA-N 1 2 345.443 3.687 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000016591540 1127664148 /nfs/dbraw/zinc/66/41/48/1127664148.db2.gz IQBIEGQLTRSNEE-AWEZNQCLSA-N 1 2 328.378 3.825 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000016591540 1127664149 /nfs/dbraw/zinc/66/41/49/1127664149.db2.gz IQBIEGQLTRSNEE-AWEZNQCLSA-N 1 2 328.378 3.825 20 0 EHADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000022089943 1127687282 /nfs/dbraw/zinc/68/72/82/1127687282.db2.gz KGFXAWZDTDFWKP-GFCCVEGCSA-N 1 2 344.484 3.784 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000024250287 1127704430 /nfs/dbraw/zinc/70/44/30/1127704430.db2.gz AREAUFAHXPJXBZ-AWEZNQCLSA-N 1 2 344.405 3.937 20 0 EHADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000024250287 1127704433 /nfs/dbraw/zinc/70/44/33/1127704433.db2.gz AREAUFAHXPJXBZ-AWEZNQCLSA-N 1 2 344.405 3.937 20 0 EHADLO COC[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc(C(F)(F)F)c1 ZINC000765626471 1127712589 /nfs/dbraw/zinc/71/25/89/1127712589.db2.gz IMYUIUMDOOHERU-GFCCVEGCSA-N 1 2 347.768 3.570 20 0 EHADLO C[C@@H]1CCN(C(=O)C/C=C\c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000255915601 1127752843 /nfs/dbraw/zinc/75/28/43/1127752843.db2.gz SNRAPIABTYAXMX-MTWCHYJXSA-N 1 2 327.403 3.535 20 0 EHADLO NC(=O)[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000028962373 1127792281 /nfs/dbraw/zinc/79/22/81/1127792281.db2.gz FGNBAMDZWVOLOJ-FQEVSTJZSA-N 1 2 334.394 3.731 20 0 EHADLO COc1ccc2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)[nH]c2c1 ZINC000029908206 1127810973 /nfs/dbraw/zinc/81/09/73/1127810973.db2.gz CUICIMIMUZCNDR-UHFFFAOYSA-N 1 2 332.363 3.615 20 0 EHADLO CC(C)(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891213 1127842603 /nfs/dbraw/zinc/84/26/03/1127842603.db2.gz VLJBELJYSTXIFG-AWEZNQCLSA-N 1 2 326.843 3.778 20 0 EHADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000042148199 1127886600 /nfs/dbraw/zinc/88/66/00/1127886600.db2.gz YIRZNUFNDYNXTF-UHFFFAOYSA-N 1 2 337.533 3.519 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000338615905 1127907868 /nfs/dbraw/zinc/90/78/68/1127907868.db2.gz BOLLCTASLPPTGT-INIZCTEOSA-N 1 2 343.496 3.570 20 0 EHADLO C[N@H+]1CCN(C(=O)c2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000338615905 1127907871 /nfs/dbraw/zinc/90/78/71/1127907871.db2.gz BOLLCTASLPPTGT-INIZCTEOSA-N 1 2 343.496 3.570 20 0 EHADLO C[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000043305945 1127917732 /nfs/dbraw/zinc/91/77/32/1127917732.db2.gz NJGUWWHBVLREEA-QGZVFWFLSA-N 1 2 348.450 3.534 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000043547621 1127922277 /nfs/dbraw/zinc/92/22/77/1127922277.db2.gz FBRBLWVBEMJYJK-KBPBESRZSA-N 1 2 336.505 3.639 20 0 EHADLO C[C@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000043547621 1127922278 /nfs/dbraw/zinc/92/22/78/1127922278.db2.gz FBRBLWVBEMJYJK-KBPBESRZSA-N 1 2 336.505 3.639 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1C(F)(F)F ZINC000338627266 1127932166 /nfs/dbraw/zinc/93/21/66/1127932166.db2.gz QUMVHTLXWPTSCN-KGLIPLIRSA-N 1 2 348.372 3.654 20 0 EHADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1C(F)(F)F ZINC000338627266 1127932170 /nfs/dbraw/zinc/93/21/70/1127932170.db2.gz QUMVHTLXWPTSCN-KGLIPLIRSA-N 1 2 348.372 3.654 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438326 1127936899 /nfs/dbraw/zinc/93/68/99/1127936899.db2.gz QLBQYCDBPJMBFQ-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438326 1127936901 /nfs/dbraw/zinc/93/69/01/1127936901.db2.gz QLBQYCDBPJMBFQ-AWEZNQCLSA-N 1 2 332.394 3.616 20 0 EHADLO O=C(CCc1ccc(Cl)s1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000044465015 1127936965 /nfs/dbraw/zinc/93/69/65/1127936965.db2.gz IYWMLRQZZVQNJY-UHFFFAOYSA-N 1 2 349.887 3.646 20 0 EHADLO O=C(NCc1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045202360 1127947903 /nfs/dbraw/zinc/94/79/03/1127947903.db2.gz NREGQBAXZWPRIG-UHFFFAOYSA-N 1 2 327.387 3.956 20 0 EHADLO Cc1nc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2s1 ZINC001212358595 1127964745 /nfs/dbraw/zinc/96/47/45/1127964745.db2.gz RSCMGCONOITBRE-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccs2)C[C@@H](C)O1 ZINC000046341626 1127975968 /nfs/dbraw/zinc/97/59/68/1127975968.db2.gz BTNJZTYQRLPWKG-HUUCEWRRSA-N 1 2 344.480 3.539 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046343729 1127976050 /nfs/dbraw/zinc/97/60/50/1127976050.db2.gz GXNJEBVAJUKIOH-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO Cc1cccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046343729 1127976054 /nfs/dbraw/zinc/97/60/54/1127976054.db2.gz GXNJEBVAJUKIOH-CALCHBBNSA-N 1 2 338.451 3.857 20 0 EHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000046341911 1127976397 /nfs/dbraw/zinc/97/63/97/1127976397.db2.gz YNOGEETUFWUBMI-HOTGVXAUSA-N 1 2 330.472 3.815 20 0 EHADLO Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1Br ZINC001212360351 1127980038 /nfs/dbraw/zinc/98/00/38/1127980038.db2.gz SSXSKNWDTQXQFJ-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO Cc1cc(Br)cc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212360197 1127980416 /nfs/dbraw/zinc/98/04/16/1127980416.db2.gz OJJMBKWPSFUILN-UHFFFAOYSA-N 1 2 348.244 3.733 20 0 EHADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000046921731 1127995226 /nfs/dbraw/zinc/99/52/26/1127995226.db2.gz VVDQKADFHHRFRN-HXUWFJFHSA-N 1 2 346.434 3.588 20 0 EHADLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@H](C)c2ccncc2)CC1 ZINC000671699031 1128007622 /nfs/dbraw/zinc/00/76/22/1128007622.db2.gz GONWJOOREQPUTJ-MRXNPFEDSA-N 1 2 329.875 3.922 20 0 EHADLO CC(C)(C)C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000047597480 1128011282 /nfs/dbraw/zinc/01/12/82/1128011282.db2.gz LVSFFZQABIPXNH-KRWDZBQOSA-N 1 2 328.460 3.750 20 0 EHADLO Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc2scnc21 ZINC001212366711 1128045519 /nfs/dbraw/zinc/04/55/19/1128045519.db2.gz WMDPPXZCGWPIHS-UHFFFAOYSA-N 1 2 326.425 3.580 20 0 EHADLO Cc1ccccc1C(C)(C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000058783049 1128080572 /nfs/dbraw/zinc/08/05/72/1128080572.db2.gz ULDZWYAOYILJJJ-UHFFFAOYSA-N 1 2 342.508 3.679 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000347556444 1128080617 /nfs/dbraw/zinc/08/06/17/1128080617.db2.gz IAPUALCCWHMWBJ-CQSZACIVSA-N 1 2 327.384 3.921 20 0 EHADLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000347556444 1128080621 /nfs/dbraw/zinc/08/06/21/1128080621.db2.gz IAPUALCCWHMWBJ-CQSZACIVSA-N 1 2 327.384 3.921 20 0 EHADLO COc1cccc(OC)c1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000671717530 1128084520 /nfs/dbraw/zinc/08/45/20/1128084520.db2.gz QUKYNHVBBHIHCT-UHFFFAOYSA-N 1 2 327.428 3.701 20 0 EHADLO C[C@H](CNc1ncnc2sc3c(c21)CCCC3)Cn1cc[nH+]c1 ZINC000060380110 1128099462 /nfs/dbraw/zinc/09/94/62/1128099462.db2.gz FHEPVULDYPKUOK-GFCCVEGCSA-N 1 2 327.457 3.515 20 0 EHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)CC(C)C ZINC000060442280 1128101610 /nfs/dbraw/zinc/10/16/10/1128101610.db2.gz SWVCLQGBEGFXDB-UHFFFAOYSA-N 1 2 343.471 3.747 20 0 EHADLO Cc1ccc(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000060868424 1128115821 /nfs/dbraw/zinc/11/58/21/1128115821.db2.gz XBQMOQJCYVHLQS-UHFFFAOYSA-N 1 2 335.407 3.897 20 0 EHADLO Cc1ccc(C[N@@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)o1 ZINC000061760916 1128128853 /nfs/dbraw/zinc/12/88/53/1128128853.db2.gz NPSONAJOAPEDOB-QGZVFWFLSA-N 1 2 340.467 3.847 20 0 EHADLO Cc1ccc(C[N@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)o1 ZINC000061760916 1128128855 /nfs/dbraw/zinc/12/88/55/1128128855.db2.gz NPSONAJOAPEDOB-QGZVFWFLSA-N 1 2 340.467 3.847 20 0 EHADLO Cc1cncc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000186191829 1128133250 /nfs/dbraw/zinc/13/32/50/1128133250.db2.gz PLIVRHKLILYVLL-SNVBAGLBSA-N 1 2 339.208 3.848 20 0 EHADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063581076 1128147801 /nfs/dbraw/zinc/14/78/01/1128147801.db2.gz IROBJGRNTZNSQF-CXAGYDPISA-N 1 2 347.256 3.979 20 0 EHADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063581076 1128147804 /nfs/dbraw/zinc/14/78/04/1128147804.db2.gz IROBJGRNTZNSQF-CXAGYDPISA-N 1 2 347.256 3.979 20 0 EHADLO O=C(C=C(C1CC1)C1CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000063657050 1128150991 /nfs/dbraw/zinc/15/09/91/1128150991.db2.gz WHPLPYVTBYZCIE-UHFFFAOYSA-N 1 2 337.423 3.647 20 0 EHADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC000065163589 1128186327 /nfs/dbraw/zinc/18/63/27/1128186327.db2.gz WRXDLQWMSZZQSH-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC000065163589 1128186329 /nfs/dbraw/zinc/18/63/29/1128186329.db2.gz WRXDLQWMSZZQSH-UHFFFAOYSA-N 1 2 346.430 3.845 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109256008 1128188856 /nfs/dbraw/zinc/18/88/56/1128188856.db2.gz LIDGSNLGTWMGGQ-GFCCVEGCSA-N 1 2 337.801 3.896 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000065426335 1128189120 /nfs/dbraw/zinc/18/91/20/1128189120.db2.gz JNKLARBJQGTZBU-RYRKJORJSA-N 1 2 332.488 3.532 20 0 EHADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000065426335 1128189125 /nfs/dbraw/zinc/18/91/25/1128189125.db2.gz JNKLARBJQGTZBU-RYRKJORJSA-N 1 2 332.488 3.532 20 0 EHADLO CC(C)(C)c1ccc2cc(C(=O)NCCCCn3cc[nH+]c3)[nH]c2c1 ZINC000065515825 1128193132 /nfs/dbraw/zinc/19/31/32/1128193132.db2.gz QSCAFPCHTOTHIH-UHFFFAOYSA-N 1 2 338.455 3.872 20 0 EHADLO Cc1cccc(/C=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000067680594 1128246317 /nfs/dbraw/zinc/24/63/17/1128246317.db2.gz NSOZVFARQQEEOF-MDZDMXLPSA-N 1 2 347.418 3.922 20 0 EHADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)[nH]1 ZINC000671762243 1128252766 /nfs/dbraw/zinc/25/27/66/1128252766.db2.gz MHIUBWOWUWMNDH-HBNTYKKESA-N 1 2 329.404 3.577 20 0 EHADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000671750214 1128202831 /nfs/dbraw/zinc/20/28/31/1128202831.db2.gz KCLZAMPAXKLPGH-VHSXEESVSA-N 1 2 333.413 3.548 20 0 EHADLO C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000066025516 1128209647 /nfs/dbraw/zinc/20/96/47/1128209647.db2.gz BANWZBWLAZLTKX-ZDUSSCGKSA-N 1 2 341.361 3.968 20 0 EHADLO CC(C)[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1nc(C2CC2)no1 ZINC000671752053 1128212762 /nfs/dbraw/zinc/21/27/62/1128212762.db2.gz CFGZYCYFVMFWBT-BONVTDFDSA-N 1 2 342.399 3.842 20 0 EHADLO CCC[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068422693 1128266313 /nfs/dbraw/zinc/26/63/13/1128266313.db2.gz FIVKPGUJEKUKEG-GOSISDBHSA-N 1 2 325.456 3.974 20 0 EHADLO CCc1ccc2occ(C(=O)NCCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC000671757694 1128238925 /nfs/dbraw/zinc/23/89/25/1128238925.db2.gz RSBJBFJCHYNSIE-UHFFFAOYSA-N 1 2 347.418 3.924 20 0 EHADLO Cc1cc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)no1 ZINC000067399308 1128240852 /nfs/dbraw/zinc/24/08/52/1128240852.db2.gz INFBDPRVIMCQGM-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO Cc1cc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)no1 ZINC000067399308 1128240857 /nfs/dbraw/zinc/24/08/57/1128240857.db2.gz INFBDPRVIMCQGM-UHFFFAOYSA-N 1 2 336.435 3.957 20 0 EHADLO CCCCO[C@H](C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000068500264 1128268181 /nfs/dbraw/zinc/26/81/81/1128268181.db2.gz XGVXPDWPFZMLOG-CQSZACIVSA-N 1 2 339.505 3.519 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000072658028 1128304140 /nfs/dbraw/zinc/30/41/40/1128304140.db2.gz FVHFVOFPKGWFJN-IBGZPJMESA-N 1 2 339.826 3.832 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000072878587 1128308547 /nfs/dbraw/zinc/30/85/47/1128308547.db2.gz TTZVOYBGSVEJJO-ZDUSSCGKSA-N 1 2 337.379 3.658 20 0 EHADLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000072878587 1128308551 /nfs/dbraw/zinc/30/85/51/1128308551.db2.gz TTZVOYBGSVEJJO-ZDUSSCGKSA-N 1 2 337.379 3.658 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1c1cc(N2CCC(F)(F)C[C@@H]2C)nc[nH+]1 ZINC000624637234 1128413680 /nfs/dbraw/zinc/41/36/80/1128413680.db2.gz WOFWEUXLACBFPY-TXEJJXNPSA-N 1 2 346.372 3.725 20 0 EHADLO C[C@@H]1CC(F)(F)CCN1c1cc(N2CCC(F)(F)C[C@@H]2C)[nH+]cn1 ZINC000624637234 1128413683 /nfs/dbraw/zinc/41/36/83/1128413683.db2.gz WOFWEUXLACBFPY-TXEJJXNPSA-N 1 2 346.372 3.725 20 0 EHADLO COc1cccc2c(NCc3c(C(F)(F)F)cnn3C)cc[nH+]c12 ZINC000624439240 1128361968 /nfs/dbraw/zinc/36/19/68/1128361968.db2.gz KKTXUHYOYSGIIS-UHFFFAOYSA-N 1 2 336.317 3.608 20 0 EHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000047931863 1128415484 /nfs/dbraw/zinc/41/54/84/1128415484.db2.gz YXCMMEAPDDKQMN-CQSZACIVSA-N 1 2 333.391 3.530 20 0 EHADLO CC(C)O[C@@H]1C[C@H]([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)C1(C)C ZINC000765808397 1128416243 /nfs/dbraw/zinc/41/62/43/1128416243.db2.gz HKNMKIDPQKSFCX-AYOQOUSVSA-N 1 2 332.488 3.916 20 0 EHADLO CCCCCCOC(=O)C[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168614233 1128387823 /nfs/dbraw/zinc/38/78/23/1128387823.db2.gz LELBCNPZTCUWNT-PKOBYXMFSA-N 1 2 349.471 3.628 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C3SCCCS3)cc2)[nH+]c1C ZINC000921656470 1128437287 /nfs/dbraw/zinc/43/72/87/1128437287.db2.gz RZGJLISOQVUHFN-UHFFFAOYSA-N 1 2 333.482 3.828 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCCC[C@@H]3O)cc2)[nH+]c1C ZINC000921657934 1128438569 /nfs/dbraw/zinc/43/85/69/1128438569.db2.gz GOLXUPGVHFQQMN-WBVHZDCISA-N 1 2 327.428 3.573 20 0 EHADLO CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000444949134 1128442253 /nfs/dbraw/zinc/44/22/53/1128442253.db2.gz GNACGHXODSDRAN-MRXNPFEDSA-N 1 2 326.444 3.702 20 0 EHADLO Cc1[nH]c(-c2ccc(NC(=O)CCOCC(F)(F)F)cc2)[nH+]c1C ZINC000921666822 1128446112 /nfs/dbraw/zinc/44/61/12/1128446112.db2.gz WKHRHSXLWHDXJW-UHFFFAOYSA-N 1 2 341.333 3.601 20 0 EHADLO CCSc1ccccc1-c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000624695208 1128451337 /nfs/dbraw/zinc/45/13/37/1128451337.db2.gz KJTPEVQHFGVFJF-UHFFFAOYSA-N 1 2 340.452 3.972 20 0 EHADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)c(C)c1OC ZINC000347629977 1128457317 /nfs/dbraw/zinc/45/73/17/1128457317.db2.gz AQBGHVNSOHLMHI-STQMWFEESA-N 1 2 333.432 3.930 20 0 EHADLO CC(C)COC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000054322481 1128472593 /nfs/dbraw/zinc/47/25/93/1128472593.db2.gz VJRYRUQHIUJINL-UHFFFAOYSA-N 1 2 342.842 3.555 20 0 EHADLO CC1(C)Cc2cc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)ccc2O1 ZINC000268310232 1128484644 /nfs/dbraw/zinc/48/46/44/1128484644.db2.gz HDTSDUZAZLBDEL-UHFFFAOYSA-N 1 2 340.427 3.535 20 0 EHADLO CC(C)CCOc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC001128050653 1128491155 /nfs/dbraw/zinc/49/11/55/1128491155.db2.gz DOGSQKRKIZBMSS-UHFFFAOYSA-N 1 2 337.423 3.689 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000542673658 1128494220 /nfs/dbraw/zinc/49/42/20/1128494220.db2.gz KNSZZLRLNUFROH-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO CCC[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccn1 ZINC000921684014 1128513918 /nfs/dbraw/zinc/51/39/18/1128513918.db2.gz NVZIRWCVCKCZIC-CQSZACIVSA-N 1 2 327.457 3.570 20 0 EHADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000369320513 1128525708 /nfs/dbraw/zinc/52/57/08/1128525708.db2.gz YTCLHNQAZOABGD-BRWVUGGUSA-N 1 2 332.492 3.524 20 0 EHADLO C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107340935 1128533402 /nfs/dbraw/zinc/53/34/02/1128533402.db2.gz QZOJBQCEZAQQLT-MRXNPFEDSA-N 1 2 330.476 3.546 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC(C)(C)C ZINC000465668578 1128560327 /nfs/dbraw/zinc/56/03/27/1128560327.db2.gz SVOFACFSUMGZSD-UHFFFAOYSA-N 1 2 346.519 3.766 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(Cl)ccc3N)c2c1 ZINC001212431298 1128617605 /nfs/dbraw/zinc/61/76/05/1128617605.db2.gz SHLPWHQFIBRRJK-UHFFFAOYSA-N 1 2 341.798 3.813 20 0 EHADLO CCOC(=O)N1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172582345 1128654723 /nfs/dbraw/zinc/65/47/23/1128654723.db2.gz NCFRCJADKYTWCC-OAHLLOKOSA-N 1 2 343.427 3.567 20 0 EHADLO CCOC(=O)N1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172582345 1128654726 /nfs/dbraw/zinc/65/47/26/1128654726.db2.gz NCFRCJADKYTWCC-OAHLLOKOSA-N 1 2 343.427 3.567 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921711677 1128655545 /nfs/dbraw/zinc/65/55/45/1128655545.db2.gz FOLJLENSZGDQIJ-UHFFFAOYSA-N 1 2 326.227 3.892 20 0 EHADLO c1cnc2c(c1)CCC[C@@H]2Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001168658906 1128716451 /nfs/dbraw/zinc/71/64/51/1128716451.db2.gz IXWAMCTYNNKOMT-KRWDZBQOSA-N 1 2 325.412 3.524 20 0 EHADLO CC(C)c1ccc(C[N@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000057850990 1128716626 /nfs/dbraw/zinc/71/66/26/1128716626.db2.gz ODBFRHKESORPIV-UHFFFAOYSA-N 1 2 331.481 3.716 20 0 EHADLO CC(C)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000057850990 1128716629 /nfs/dbraw/zinc/71/66/29/1128716629.db2.gz ODBFRHKESORPIV-UHFFFAOYSA-N 1 2 331.481 3.716 20 0 EHADLO CC[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1F ZINC000172621613 1128739797 /nfs/dbraw/zinc/73/97/97/1128739797.db2.gz YDHWASDSGVPPPP-ROUUACIJSA-N 1 2 332.394 3.835 20 0 EHADLO C[N@H+](Cc1cn2c(cccc2Br)n1)Cc1cccc(F)c1 ZINC001143072900 1128765731 /nfs/dbraw/zinc/76/57/31/1128765731.db2.gz BCGJFNYTQQLCAR-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO C[N@@H+](Cc1cn2c(cccc2Br)n1)Cc1cccc(F)c1 ZINC001143072900 1128765735 /nfs/dbraw/zinc/76/57/35/1128765735.db2.gz BCGJFNYTQQLCAR-UHFFFAOYSA-N 1 2 348.219 3.868 20 0 EHADLO O=C(Nc1cccc(Br)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000338726154 1128767099 /nfs/dbraw/zinc/76/70/99/1128767099.db2.gz ZKJSYAGQRPJIPM-INIZCTEOSA-N 1 2 345.240 3.662 20 0 EHADLO O=C(Nc1cccc(Br)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000338726154 1128767103 /nfs/dbraw/zinc/76/71/03/1128767103.db2.gz ZKJSYAGQRPJIPM-INIZCTEOSA-N 1 2 345.240 3.662 20 0 EHADLO CCOC(=O)c1sc2cccc(F)c2c1C[NH+]1CCSCC1 ZINC000061283459 1128772862 /nfs/dbraw/zinc/77/28/62/1128772862.db2.gz BDDANAMJZUIPOK-UHFFFAOYSA-N 1 2 339.457 3.766 20 0 EHADLO CCC(CC)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000672147880 1128800037 /nfs/dbraw/zinc/80/00/37/1128800037.db2.gz YDHRVUOKECYSCX-INIZCTEOSA-N 1 2 345.874 3.726 20 0 EHADLO CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150952 1128805212 /nfs/dbraw/zinc/80/52/12/1128805212.db2.gz KWFZDZLVOBNPBQ-HNNXBMFYSA-N 1 2 341.480 3.686 20 0 EHADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1sc2cc(F)ccc2c1Cl ZINC000672156031 1128818479 /nfs/dbraw/zinc/81/84/79/1128818479.db2.gz IUFJAFLSVDNDNH-SNVBAGLBSA-N 1 2 349.818 3.635 20 0 EHADLO Cc1ccc(-c2nc(C[NH2+][C@H](CO)c3ccccc3C)cs2)o1 ZINC000542912463 1128833572 /nfs/dbraw/zinc/83/35/72/1128833572.db2.gz LEOKOWUAEXZRKG-MRXNPFEDSA-N 1 2 328.437 3.843 20 0 EHADLO Cc1cccc(CCc2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c1 ZINC000547092688 1128841579 /nfs/dbraw/zinc/84/15/79/1128841579.db2.gz XBQAVGLLCCBLCR-UHFFFAOYSA-N 1 2 332.407 3.710 20 0 EHADLO CCOc1c(OC)cc(CNc2cc3cc[nH]c3c[nH+]2)cc1OC ZINC000672199067 1128844518 /nfs/dbraw/zinc/84/45/18/1128844518.db2.gz XORBFMGWWAYQCE-UHFFFAOYSA-N 1 2 327.384 3.591 20 0 EHADLO Brc1cc2c(c(CNc3cc4cc[nH]c4c[nH+]3)c1)OCC2 ZINC000672251252 1128884042 /nfs/dbraw/zinc/88/40/42/1128884042.db2.gz SARSTHUEMPDESE-UHFFFAOYSA-N 1 2 344.212 3.872 20 0 EHADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C2CCCC2)C1 ZINC001648806667 1120044508 /nfs/dbraw/zinc/04/45/08/1120044508.db2.gz MRKVBROVKRMASN-LJQANCHMSA-N 1 2 337.467 3.844 20 0 EHADLO Cc1cc(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)on1 ZINC001648817084 1120048334 /nfs/dbraw/zinc/04/83/34/1120048334.db2.gz UBWFBTSGIIEQJB-UHFFFAOYSA-N 1 2 349.434 3.511 20 0 EHADLO CC1(C)CCC(C)(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001648822978 1120049112 /nfs/dbraw/zinc/04/91/12/1120049112.db2.gz CSNOAFGNWKYENU-UHFFFAOYSA-N 1 2 325.456 3.890 20 0 EHADLO Cc1ccsc1C[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000051735534 1120249795 /nfs/dbraw/zinc/24/97/95/1120249795.db2.gz TVOBPAAVTILOQE-UHFFFAOYSA-N 1 2 347.465 3.844 20 0 EHADLO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000051735534 1120249798 /nfs/dbraw/zinc/24/97/98/1120249798.db2.gz TVOBPAAVTILOQE-UHFFFAOYSA-N 1 2 347.465 3.844 20 0 EHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000447350515 1120294819 /nfs/dbraw/zinc/29/48/19/1120294819.db2.gz SIUNZFVSUKKILY-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000447350515 1120294823 /nfs/dbraw/zinc/29/48/23/1120294823.db2.gz SIUNZFVSUKKILY-QGZVFWFLSA-N 1 2 332.831 3.522 20 0 EHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC/C=C\C2CC2)c(C)c1 ZINC001670849628 1120329720 /nfs/dbraw/zinc/32/97/20/1120329720.db2.gz WXQOMNUNVUOXOG-ZRHASKPBSA-N 1 2 338.455 3.507 20 0 EHADLO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001648994629 1120338577 /nfs/dbraw/zinc/33/85/77/1120338577.db2.gz XVOUEKKNWCTJSM-HNNXBMFYSA-N 1 2 344.842 3.537 20 0 EHADLO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001648994629 1120338584 /nfs/dbraw/zinc/33/85/84/1120338584.db2.gz XVOUEKKNWCTJSM-HNNXBMFYSA-N 1 2 344.842 3.537 20 0 EHADLO CC[C@@H](C)C[C@@H](C)Nc1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001168695195 1128913487 /nfs/dbraw/zinc/91/34/87/1128913487.db2.gz SWQWNLHWJXCVHO-IAGOWNOFSA-N 1 2 333.520 3.679 20 0 EHADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1F ZINC000008307910 1128914530 /nfs/dbraw/zinc/91/45/30/1128914530.db2.gz CNJPOAQIOKZMHH-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1F ZINC000008307910 1128914534 /nfs/dbraw/zinc/91/45/34/1128914534.db2.gz CNJPOAQIOKZMHH-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO CCC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000185745051 1120427780 /nfs/dbraw/zinc/42/77/80/1120427780.db2.gz SKLROOHMZZPAAL-UHFFFAOYSA-N 1 2 325.456 3.908 20 0 EHADLO Cc1cccn2cc(CC(=O)N3CCCCC[C@@H]3c3ccco3)[nH+]c12 ZINC000076510004 1128925082 /nfs/dbraw/zinc/92/50/82/1128925082.db2.gz COGCDKVFXHSXII-QGZVFWFLSA-N 1 2 337.423 3.922 20 0 EHADLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000494500550 1120573165 /nfs/dbraw/zinc/57/31/65/1120573165.db2.gz FABKETVEWBHEMP-JBCWJZNQSA-N 1 2 339.798 3.605 20 0 EHADLO C[C@@H]1CSCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000190478646 1120639520 /nfs/dbraw/zinc/63/95/20/1120639520.db2.gz YPALKPAJHDUITN-JTQLQIEISA-N 1 2 340.290 3.510 20 0 EHADLO C[C@@H]1CSCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000190478646 1120639521 /nfs/dbraw/zinc/63/95/21/1120639521.db2.gz YPALKPAJHDUITN-JTQLQIEISA-N 1 2 340.290 3.510 20 0 EHADLO COc1cccc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761638579 1120662779 /nfs/dbraw/zinc/66/27/79/1120662779.db2.gz NLRSNIVGPDYJLT-UHFFFAOYSA-N 1 2 332.363 3.522 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000112599074 1128933343 /nfs/dbraw/zinc/93/33/43/1128933343.db2.gz SEBQJQDGPWFJMM-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO CCS[C@H]1CCCC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153105624 1120687656 /nfs/dbraw/zinc/68/76/56/1120687656.db2.gz MSESQSGXBYTSMA-ZDUSSCGKSA-N 1 2 328.551 3.734 20 0 EHADLO CCS[C@H]1CCCC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000153105624 1120687660 /nfs/dbraw/zinc/68/76/60/1120687660.db2.gz MSESQSGXBYTSMA-ZDUSSCGKSA-N 1 2 328.551 3.734 20 0 EHADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000112599074 1128933349 /nfs/dbraw/zinc/93/33/49/1128933349.db2.gz SEBQJQDGPWFJMM-AWEZNQCLSA-N 1 2 325.387 3.910 20 0 EHADLO c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[nH+]cc1N1CCCCC1 ZINC000494615115 1120690528 /nfs/dbraw/zinc/69/05/28/1120690528.db2.gz VPGCTPJEVUCQQZ-BHIYHBOVSA-N 1 2 327.472 3.832 20 0 EHADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000494688258 1120721512 /nfs/dbraw/zinc/72/15/12/1120721512.db2.gz FAKBQPUMYSGZES-OAHLLOKOSA-N 1 2 332.400 3.674 20 0 EHADLO CN(C)c1noc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000192785091 1120749154 /nfs/dbraw/zinc/74/91/54/1120749154.db2.gz QBJHIGHLHAGBDM-MRXNPFEDSA-N 1 2 334.851 3.810 20 0 EHADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1ccccc1F ZINC000195732573 1120813910 /nfs/dbraw/zinc/81/39/10/1120813910.db2.gz ANNNKNMFZWSQCH-AWEZNQCLSA-N 1 2 332.394 3.664 20 0 EHADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1ccccc1F ZINC000195732573 1120813913 /nfs/dbraw/zinc/81/39/13/1120813913.db2.gz ANNNKNMFZWSQCH-AWEZNQCLSA-N 1 2 332.394 3.664 20 0 EHADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000194373160 1120839028 /nfs/dbraw/zinc/83/90/28/1120839028.db2.gz IKBWUIHEQOAONM-CYBMUJFWSA-N 1 2 337.510 3.961 20 0 EHADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000194373160 1120839032 /nfs/dbraw/zinc/83/90/32/1120839032.db2.gz IKBWUIHEQOAONM-CYBMUJFWSA-N 1 2 337.510 3.961 20 0 EHADLO CO[C@@H](C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C)CC(C)C ZINC001168473750 1120902380 /nfs/dbraw/zinc/90/23/80/1120902380.db2.gz GGUFNYYWRCMWOT-QZTJIDSGSA-N 1 2 335.488 3.795 20 0 EHADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494938073 1120910762 /nfs/dbraw/zinc/91/07/62/1120910762.db2.gz GUYKNGGPGNIATR-WOMSROEHSA-N 1 2 343.421 3.752 20 0 EHADLO Fc1ccc(N2CC[NH+](C/C=C\c3ccncc3)CC2)c(Cl)c1 ZINC000494960248 1120915027 /nfs/dbraw/zinc/91/50/27/1120915027.db2.gz NXIHXXVARWPFAV-UPHRSURJSA-N 1 2 331.822 3.710 20 0 EHADLO O=C(c1cc(F)cc(Nc2cccc3[nH+]ccn32)c1)N1CCCCC1 ZINC001212201367 1120964356 /nfs/dbraw/zinc/96/43/56/1120964356.db2.gz BRYHQDWOZMYAEP-UHFFFAOYSA-N 1 2 338.386 3.843 20 0 EHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000303460767 1121150074 /nfs/dbraw/zinc/15/00/74/1121150074.db2.gz HESPWMKEXDJKFB-QGZVFWFLSA-N 1 2 346.833 3.874 20 0 EHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000303460767 1121150077 /nfs/dbraw/zinc/15/00/77/1121150077.db2.gz HESPWMKEXDJKFB-QGZVFWFLSA-N 1 2 346.833 3.874 20 0 EHADLO CC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540930 1121158073 /nfs/dbraw/zinc/15/80/73/1121158073.db2.gz UJFSUWBSKQGFNH-DOMZBBRYSA-N 1 2 326.843 3.606 20 0 EHADLO CC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303540930 1121158075 /nfs/dbraw/zinc/15/80/75/1121158075.db2.gz UJFSUWBSKQGFNH-DOMZBBRYSA-N 1 2 326.843 3.606 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303578066 1121161835 /nfs/dbraw/zinc/16/18/35/1121161835.db2.gz ZRVFPTKPNYUNMM-INIZCTEOSA-N 1 2 340.870 3.996 20 0 EHADLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303578066 1121161837 /nfs/dbraw/zinc/16/18/37/1121161837.db2.gz ZRVFPTKPNYUNMM-INIZCTEOSA-N 1 2 340.870 3.996 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1nnc2ccccn21 ZINC000495390594 1121163837 /nfs/dbraw/zinc/16/38/37/1121163837.db2.gz GFOMIBFZBFSOSG-INIZCTEOSA-N 1 2 343.500 3.970 20 0 EHADLO Cc1ccc(C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000303716140 1121175683 /nfs/dbraw/zinc/17/56/83/1121175683.db2.gz VGRITUBSTUCJGW-UHFFFAOYSA-N 1 2 333.435 3.888 20 0 EHADLO CC(C)c1ccc(/C=C\CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000495497406 1121236920 /nfs/dbraw/zinc/23/69/20/1121236920.db2.gz PYBIGDKECKHZRC-VGOKWCNXSA-N 1 2 325.456 3.862 20 0 EHADLO Cn1c[nH+]cc1Cc1noc(-c2sc3ccccc3c2Cl)n1 ZINC000762410997 1121288085 /nfs/dbraw/zinc/28/80/85/1121288085.db2.gz LLJRTXTWLWNWPV-UHFFFAOYSA-N 1 2 330.800 3.929 20 0 EHADLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000762485885 1121323886 /nfs/dbraw/zinc/32/38/86/1121323886.db2.gz BBCYVIJCEMBCPR-ZDUSSCGKSA-N 1 2 327.255 3.641 20 0 EHADLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000762485885 1121323893 /nfs/dbraw/zinc/32/38/93/1121323893.db2.gz BBCYVIJCEMBCPR-ZDUSSCGKSA-N 1 2 327.255 3.641 20 0 EHADLO COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1O ZINC000153566404 1121337892 /nfs/dbraw/zinc/33/78/92/1121337892.db2.gz VOTWMTQVVHGYDR-NRFANRHFSA-N 1 2 334.419 3.983 20 0 EHADLO CCOc1cc[nH+]cc1Nc1cc(F)cc(C(=O)N2CCCCC2)c1 ZINC001212204133 1121395458 /nfs/dbraw/zinc/39/54/58/1121395458.db2.gz GCDIUFDAZNRIEW-UHFFFAOYSA-N 1 2 343.402 3.989 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(C2CC2)cn1 ZINC000888277312 1121443107 /nfs/dbraw/zinc/44/31/07/1121443107.db2.gz DATVRWJTFDIUNL-KRWDZBQOSA-N 1 2 332.407 3.843 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cscc2Cl)C1 ZINC000648807412 1121478446 /nfs/dbraw/zinc/47/84/46/1121478446.db2.gz NLEUNFCAIRLNEN-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cscc2Cl)C1 ZINC000648807412 1121478450 /nfs/dbraw/zinc/47/84/50/1121478450.db2.gz NLEUNFCAIRLNEN-JTQLQIEISA-N 1 2 326.815 3.718 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C)CC=CC3)n2)C1 ZINC000653925265 1121553473 /nfs/dbraw/zinc/55/34/73/1121553473.db2.gz CPNHYZRKTMZYKY-CYBMUJFWSA-N 1 2 334.489 3.605 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C)CC=CC3)n2)C1 ZINC000653925265 1121553477 /nfs/dbraw/zinc/55/34/77/1121553477.db2.gz CPNHYZRKTMZYKY-CYBMUJFWSA-N 1 2 334.489 3.605 20 0 EHADLO Cc1cc(C)c(NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)c(C)[nH+]1 ZINC000495989209 1121599549 /nfs/dbraw/zinc/59/95/49/1121599549.db2.gz JPWFSAHGWLDWMR-UHFFFAOYSA-N 1 2 347.459 3.640 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC001235491417 1121614232 /nfs/dbraw/zinc/61/42/32/1121614232.db2.gz GHTYFSQEZFFWLT-QWRGUYRKSA-N 1 2 346.240 3.596 20 0 EHADLO COc1ccc(Br)c(F)c1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC001235491417 1121614235 /nfs/dbraw/zinc/61/42/35/1121614235.db2.gz GHTYFSQEZFFWLT-QWRGUYRKSA-N 1 2 346.240 3.596 20 0 EHADLO C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000062370843 1121708983 /nfs/dbraw/zinc/70/89/83/1121708983.db2.gz WMCAKXUSHNWZEL-WBMJQRKESA-N 1 2 338.854 3.778 20 0 EHADLO Cc1occc1C[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000055057856 1121792675 /nfs/dbraw/zinc/79/26/75/1121792675.db2.gz NCWSKZMZZLQNHI-LJQANCHMSA-N 1 2 326.440 3.774 20 0 EHADLO Cc1occc1C[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000055057856 1121792681 /nfs/dbraw/zinc/79/26/81/1121792681.db2.gz NCWSKZMZZLQNHI-LJQANCHMSA-N 1 2 326.440 3.774 20 0 EHADLO Cc1occc1C[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000055054613 1121792813 /nfs/dbraw/zinc/79/28/13/1121792813.db2.gz NELZBCGGNFBDCU-HXUWFJFHSA-N 1 2 326.440 3.596 20 0 EHADLO Cc1occc1C[N@@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000055054613 1121792818 /nfs/dbraw/zinc/79/28/18/1121792818.db2.gz NELZBCGGNFBDCU-HXUWFJFHSA-N 1 2 326.440 3.596 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-c2cnco2)cc1 ZINC000055409027 1121821927 /nfs/dbraw/zinc/82/19/27/1121821927.db2.gz ATDBPQJOJSUMBH-UHFFFAOYSA-N 1 2 330.347 3.780 20 0 EHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000055695834 1121857736 /nfs/dbraw/zinc/85/77/36/1121857736.db2.gz LEBPVXBCVAPQFK-UHFFFAOYSA-N 1 2 329.762 3.595 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC2(C)CCCCCC2)C1 ZINC000444128606 1121868127 /nfs/dbraw/zinc/86/81/27/1121868127.db2.gz MDBKBSOKGCMNRQ-INIZCTEOSA-N 1 2 332.492 3.670 20 0 EHADLO CCC[N@H+](Cc1cc(CC)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001203227891 1121928756 /nfs/dbraw/zinc/92/87/56/1121928756.db2.gz KFDCIOQPXDFFFU-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO CCC[N@@H+](Cc1cc(CC)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001203227891 1121928760 /nfs/dbraw/zinc/92/87/60/1121928760.db2.gz KFDCIOQPXDFFFU-HNNXBMFYSA-N 1 2 329.444 3.785 20 0 EHADLO O=C(CSc1cc(Cl)ccc1Cl)OCCCn1cc[nH+]c1 ZINC000763289997 1121943405 /nfs/dbraw/zinc/94/34/05/1121943405.db2.gz YPKMRJKRHVJECV-UHFFFAOYSA-N 1 2 345.251 3.916 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](C4CC4)C3)c(=S)n2C)cc1 ZINC000763331306 1121962550 /nfs/dbraw/zinc/96/25/50/1121962550.db2.gz GJNSOGJQZPPANC-INIZCTEOSA-N 1 2 328.485 3.616 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CC[C@H](C4CC4)C3)c(=S)n2C)cc1 ZINC000763331306 1121962556 /nfs/dbraw/zinc/96/25/56/1121962556.db2.gz GJNSOGJQZPPANC-INIZCTEOSA-N 1 2 328.485 3.616 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)c1 ZINC000763333165 1121966437 /nfs/dbraw/zinc/96/64/37/1121966437.db2.gz PNTZHONKSPIPAN-OAHLLOKOSA-N 1 2 345.468 3.782 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3CC[C@@H](C4CC4)C3)c(=S)o2)c1 ZINC000763333165 1121966441 /nfs/dbraw/zinc/96/64/41/1121966441.db2.gz PNTZHONKSPIPAN-OAHLLOKOSA-N 1 2 345.468 3.782 20 0 EHADLO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444191529 1121969796 /nfs/dbraw/zinc/96/97/96/1121969796.db2.gz GAAWBXCPABSPOR-RCCFBDPRSA-N 1 2 346.519 3.914 20 0 EHADLO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1nnc2ccccn21 ZINC000036969074 1121993856 /nfs/dbraw/zinc/99/38/56/1121993856.db2.gz AKJSREXFXZDZGN-VXGBXAGGSA-N 1 2 345.244 3.904 20 0 EHADLO COCCn1c2ccc(Cl)cc2nc1SCc1ccc(N)[nH+]c1 ZINC000916114055 1122062588 /nfs/dbraw/zinc/06/25/88/1122062588.db2.gz ZXTYRHWECVWMDP-UHFFFAOYSA-N 1 2 348.859 3.606 20 0 EHADLO C[C@H]1Cc2cc(C[NH2+]Cc3cc(COC(C)(C)C)on3)ccc2O1 ZINC000922018852 1129032337 /nfs/dbraw/zinc/03/23/37/1129032337.db2.gz WAJMUEHMOSHQEF-ZDUSSCGKSA-N 1 2 330.428 3.603 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@H+](Cn3ncn(C)c3=S)C2)cc1 ZINC000763392918 1122225087 /nfs/dbraw/zinc/22/50/87/1122225087.db2.gz JJWOJIXFDPZFNY-MRXNPFEDSA-N 1 2 330.501 3.597 20 0 EHADLO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cn3ncn(C)c3=S)C2)cc1 ZINC000763392918 1122225093 /nfs/dbraw/zinc/22/50/93/1122225093.db2.gz JJWOJIXFDPZFNY-MRXNPFEDSA-N 1 2 330.501 3.597 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C ZINC000125011777 1122302366 /nfs/dbraw/zinc/30/23/66/1122302366.db2.gz JVXZTYBXFBPMMX-MPGHIAIKSA-N 1 2 343.423 3.898 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C ZINC000125011777 1122302369 /nfs/dbraw/zinc/30/23/69/1122302369.db2.gz JVXZTYBXFBPMMX-MPGHIAIKSA-N 1 2 343.423 3.898 20 0 EHADLO CC(C)CCOc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000064430084 1122312110 /nfs/dbraw/zinc/31/21/10/1122312110.db2.gz XENWYGAFLAKHTR-UHFFFAOYSA-N 1 2 330.432 3.520 20 0 EHADLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)no1 ZINC000126406531 1122404756 /nfs/dbraw/zinc/40/47/56/1122404756.db2.gz KJFVCASWJCXHIT-KRWDZBQOSA-N 1 2 334.423 3.731 20 0 EHADLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)no1 ZINC000126406531 1122404761 /nfs/dbraw/zinc/40/47/61/1122404761.db2.gz KJFVCASWJCXHIT-KRWDZBQOSA-N 1 2 334.423 3.731 20 0 EHADLO CCc1nc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000917039445 1122444560 /nfs/dbraw/zinc/44/45/60/1122444560.db2.gz DOBOIUNWGNNIMU-LBPRGKRZSA-N 1 2 329.469 3.572 20 0 EHADLO CCc1nc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)sc1C ZINC000917039445 1122444565 /nfs/dbraw/zinc/44/45/65/1122444565.db2.gz DOBOIUNWGNNIMU-LBPRGKRZSA-N 1 2 329.469 3.572 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127164165 1122466564 /nfs/dbraw/zinc/46/65/64/1122466564.db2.gz IOEURHFKYPFENR-SJLPKXTDSA-N 1 2 347.409 3.522 20 0 EHADLO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127164165 1122466566 /nfs/dbraw/zinc/46/65/66/1122466566.db2.gz IOEURHFKYPFENR-SJLPKXTDSA-N 1 2 347.409 3.522 20 0 EHADLO CCS[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000066629137 1122477505 /nfs/dbraw/zinc/47/75/05/1122477505.db2.gz CYOIILLTTKCPEX-AWEZNQCLSA-N 1 2 341.546 3.845 20 0 EHADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000066940092 1122491607 /nfs/dbraw/zinc/49/16/07/1122491607.db2.gz XQTTVJCQSVNYKS-BMIGLBTASA-N 1 2 340.320 3.722 20 0 EHADLO CC[N@H+](CC(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000917458323 1122607378 /nfs/dbraw/zinc/60/73/78/1122607378.db2.gz FGAQBXQSPNQHAA-UHFFFAOYSA-N 1 2 337.537 3.675 20 0 EHADLO CC[N@@H+](CC(C)C)Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000917458323 1122607379 /nfs/dbraw/zinc/60/73/79/1122607379.db2.gz FGAQBXQSPNQHAA-UHFFFAOYSA-N 1 2 337.537 3.675 20 0 EHADLO O=c1c2ccccc2sn1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000917473737 1122611893 /nfs/dbraw/zinc/61/18/93/1122611893.db2.gz AZZKPNDJQKUDLP-INIZCTEOSA-N 1 2 342.439 3.867 20 0 EHADLO O=c1c2ccccc2sn1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000917473737 1122611895 /nfs/dbraw/zinc/61/18/95/1122611895.db2.gz AZZKPNDJQKUDLP-INIZCTEOSA-N 1 2 342.439 3.867 20 0 EHADLO CC(C)(CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068421170 1122645692 /nfs/dbraw/zinc/64/56/92/1122645692.db2.gz NGTAERYELWHMAA-UHFFFAOYSA-N 1 2 325.456 3.758 20 0 EHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000444821217 1122813285 /nfs/dbraw/zinc/81/32/85/1122813285.db2.gz YRZJFCYVCAGQLG-INIZCTEOSA-N 1 2 338.455 3.710 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1cccc(F)c1F ZINC000347475909 1122859847 /nfs/dbraw/zinc/85/98/47/1122859847.db2.gz MHQDIZBQXLDWHA-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1cccc(F)c1F ZINC000347475909 1122859851 /nfs/dbraw/zinc/85/98/51/1122859851.db2.gz MHQDIZBQXLDWHA-CYBMUJFWSA-N 1 2 346.425 3.833 20 0 EHADLO COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001127450917 1122934083 /nfs/dbraw/zinc/93/40/83/1122934083.db2.gz LFSBUGLZJQDQID-CQSZACIVSA-N 1 2 341.455 3.672 20 0 EHADLO C[C@]1(c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)CC=CCC1 ZINC000556428339 1122976023 /nfs/dbraw/zinc/97/60/23/1122976023.db2.gz IUQAWDDDSTXKDX-FQEVSTJZSA-N 1 2 339.439 3.567 20 0 EHADLO COc1cc(C[N@@H+]2CCOCC2(C)C)ccc1OCc1cccs1 ZINC000130898350 1123018661 /nfs/dbraw/zinc/01/86/61/1123018661.db2.gz HXWJCJVRWMKXSX-UHFFFAOYSA-N 1 2 347.480 3.947 20 0 EHADLO COc1cc(C[N@H+]2CCOCC2(C)C)ccc1OCc1cccs1 ZINC000130898350 1123018665 /nfs/dbraw/zinc/01/86/65/1123018665.db2.gz HXWJCJVRWMKXSX-UHFFFAOYSA-N 1 2 347.480 3.947 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000072026150 1123034104 /nfs/dbraw/zinc/03/41/04/1123034104.db2.gz WVZVTYNXIYXZIW-MRXNPFEDSA-N 1 2 328.460 3.888 20 0 EHADLO O=C1[C@H]([N@@H+]2CCCc3ccccc3C2)CCN1c1c(F)cccc1F ZINC000498937723 1123120927 /nfs/dbraw/zinc/12/09/27/1123120927.db2.gz JZRPFRRJPBEIJN-GOSISDBHSA-N 1 2 342.389 3.519 20 0 EHADLO O=C1[C@H]([N@H+]2CCCc3ccccc3C2)CCN1c1c(F)cccc1F ZINC000498937723 1123120929 /nfs/dbraw/zinc/12/09/29/1123120929.db2.gz JZRPFRRJPBEIJN-GOSISDBHSA-N 1 2 342.389 3.519 20 0 EHADLO CCN(C(=O)C[NH2+]C(C)(C)c1nccs1)[C@H](C)c1ccc(F)cc1 ZINC000072662496 1123138830 /nfs/dbraw/zinc/13/88/30/1123138830.db2.gz BOCUYYVEUOZLEH-CYBMUJFWSA-N 1 2 349.475 3.717 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccnc2ccccc21 ZINC000556859272 1123155229 /nfs/dbraw/zinc/15/52/29/1123155229.db2.gz BITIAOCMCPJIKJ-WKILWMFISA-N 1 2 346.434 3.783 20 0 EHADLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1Br ZINC000072822679 1123164198 /nfs/dbraw/zinc/16/41/98/1123164198.db2.gz MPKLSJIWQXYJFI-LBPRGKRZSA-N 1 2 330.229 3.948 20 0 EHADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000556882842 1123164645 /nfs/dbraw/zinc/16/46/45/1123164645.db2.gz FXPUBECGBKUAIK-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000556882842 1123164648 /nfs/dbraw/zinc/16/46/48/1123164648.db2.gz FXPUBECGBKUAIK-QGZVFWFLSA-N 1 2 336.395 3.902 20 0 EHADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000556884164 1123165481 /nfs/dbraw/zinc/16/54/81/1123165481.db2.gz FDOKKIHGXPQHRF-GZBFAFLISA-N 1 2 337.876 3.632 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000556900633 1123177684 /nfs/dbraw/zinc/17/76/84/1123177684.db2.gz BHVIPCVXDTUINX-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000556900633 1123177687 /nfs/dbraw/zinc/17/76/87/1123177687.db2.gz BHVIPCVXDTUINX-CYBMUJFWSA-N 1 2 345.414 3.971 20 0 EHADLO O=C(CCC1CCCC1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000131923001 1123190687 /nfs/dbraw/zinc/19/06/87/1123190687.db2.gz ZWTABFPRHAPLMG-UHFFFAOYSA-N 1 2 334.426 3.834 20 0 EHADLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccsc2C1)c1ccc(Cl)cc1 ZINC000132599595 1123255892 /nfs/dbraw/zinc/25/58/92/1123255892.db2.gz HHBIENPVEAIYPJ-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO C[C@@H](NC(=O)C[N@H+]1CCc2ccsc2C1)c1ccc(Cl)cc1 ZINC000132599595 1123255895 /nfs/dbraw/zinc/25/58/95/1123255895.db2.gz HHBIENPVEAIYPJ-GFCCVEGCSA-N 1 2 334.872 3.637 20 0 EHADLO CC(C)C[C@H](c1nc(CO[C@H]2CCCC[C@H]2C)no1)n1cc[nH+]c1 ZINC000923869872 1123259453 /nfs/dbraw/zinc/25/94/53/1123259453.db2.gz BMMKUNIGVJSBTO-OAGGEKHMSA-N 1 2 332.448 3.997 20 0 EHADLO Fc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000557010059 1123265156 /nfs/dbraw/zinc/26/51/56/1123265156.db2.gz IESRNIYTNSEMOB-FQEVSTJZSA-N 1 2 343.421 3.892 20 0 EHADLO Fc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000557010059 1123265160 /nfs/dbraw/zinc/26/51/60/1123265160.db2.gz IESRNIYTNSEMOB-FQEVSTJZSA-N 1 2 343.421 3.892 20 0 EHADLO Cc1sc(C(=O)NCCCn2cc[nH+]c2)cc1-c1ccc(F)cc1 ZINC000132995049 1123326355 /nfs/dbraw/zinc/32/63/55/1123326355.db2.gz CBCMXXMIZRNXTM-UHFFFAOYSA-N 1 2 343.427 3.879 20 0 EHADLO CCOc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=S)s1 ZINC000920304602 1123352935 /nfs/dbraw/zinc/35/29/35/1123352935.db2.gz YTQQRPCCQYEWMT-AVGNSLFASA-N 1 2 327.519 3.931 20 0 EHADLO CCOc1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=S)s1 ZINC000920304602 1123352938 /nfs/dbraw/zinc/35/29/38/1123352938.db2.gz YTQQRPCCQYEWMT-AVGNSLFASA-N 1 2 327.519 3.931 20 0 EHADLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000074985873 1123353400 /nfs/dbraw/zinc/35/34/00/1123353400.db2.gz AZMOFAPXKZSXHG-UHFFFAOYSA-N 1 2 341.436 3.560 20 0 EHADLO Cc1ccccc1OCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075608900 1123406755 /nfs/dbraw/zinc/40/67/55/1123406755.db2.gz SOYOJRDRZKLRQF-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO Cc1ccccc1OCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075608900 1123406758 /nfs/dbraw/zinc/40/67/58/1123406758.db2.gz SOYOJRDRZKLRQF-UHFFFAOYSA-N 1 2 335.451 3.751 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832008 1123429203 /nfs/dbraw/zinc/42/92/03/1123429203.db2.gz LDAKJCQJMSOQJX-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832008 1123429206 /nfs/dbraw/zinc/42/92/06/1123429206.db2.gz LDAKJCQJMSOQJX-QGZVFWFLSA-N 1 2 330.472 3.666 20 0 EHADLO CCCC[C@H](CC)CNC(=S)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920994626 1123445452 /nfs/dbraw/zinc/44/54/52/1123445452.db2.gz RETYKPOWYYOWOW-HOTGVXAUSA-N 1 2 338.565 3.978 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)Nc1ccc(Cl)cc1 ZINC000920994710 1123446274 /nfs/dbraw/zinc/44/62/74/1123446274.db2.gz WFUUVQZHMCJCDK-CQSZACIVSA-N 1 2 336.892 3.938 20 0 EHADLO Cc1cc(Cl)nc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000282139343 1123458122 /nfs/dbraw/zinc/45/81/22/1123458122.db2.gz WCJSQKSHRUHMOM-UHFFFAOYSA-N 1 2 335.238 3.873 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2cc1O ZINC000921149967 1123472657 /nfs/dbraw/zinc/47/26/57/1123472657.db2.gz CAKNRLMLZBULHM-UHFFFAOYSA-N 1 2 343.386 3.661 20 0 EHADLO CCCC[C@@H](CC)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921201401 1123478613 /nfs/dbraw/zinc/47/86/13/1123478613.db2.gz KUYOXZBPQBSEHE-MRXNPFEDSA-N 1 2 328.460 3.888 20 0 EHADLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)cc(C(F)(F)F)n1 ZINC000921189891 1123481313 /nfs/dbraw/zinc/48/13/13/1123481313.db2.gz GWJXYWTWRCNFQD-UHFFFAOYSA-N 1 2 333.317 3.602 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000921233761 1123493660 /nfs/dbraw/zinc/49/36/60/1123493660.db2.gz CXWVRWIATMTWQD-UHFFFAOYSA-N 1 2 344.777 3.987 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134672199 1123541544 /nfs/dbraw/zinc/54/15/44/1123541544.db2.gz HCGMGWADUBHKKW-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO COc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134672199 1123541545 /nfs/dbraw/zinc/54/15/45/1123541545.db2.gz HCGMGWADUBHKKW-ZDUSSCGKSA-N 1 2 344.842 3.734 20 0 EHADLO Cc1c(Cl)ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1Cl ZINC000922123475 1129130163 /nfs/dbraw/zinc/13/01/63/1129130163.db2.gz WFEMQYVBSAOION-CQSZACIVSA-N 1 2 327.259 3.917 20 0 EHADLO CCCCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000064441111 1123618685 /nfs/dbraw/zinc/61/86/85/1123618685.db2.gz AHUTULUFJKRDAM-GOSISDBHSA-N 1 2 343.471 3.907 20 0 EHADLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000135479951 1123620543 /nfs/dbraw/zinc/62/05/43/1123620543.db2.gz VDXWNRFFHBZQKO-LLVKDONJSA-N 1 2 333.284 3.759 20 0 EHADLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000135479951 1123620545 /nfs/dbraw/zinc/62/05/45/1123620545.db2.gz VDXWNRFFHBZQKO-LLVKDONJSA-N 1 2 333.284 3.759 20 0 EHADLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000136157431 1123672823 /nfs/dbraw/zinc/67/28/23/1123672823.db2.gz KMYDVVIJZSKRJK-UHFFFAOYSA-N 1 2 331.847 3.631 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503271 1123698795 /nfs/dbraw/zinc/69/87/95/1123698795.db2.gz JRKFCDFJEQOPIB-AEFFLSMTSA-N 1 2 343.471 3.978 20 0 EHADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079503271 1123698797 /nfs/dbraw/zinc/69/87/97/1123698797.db2.gz JRKFCDFJEQOPIB-AEFFLSMTSA-N 1 2 343.471 3.978 20 0 EHADLO Cc1ccc(CSCCNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000610026215 1123720050 /nfs/dbraw/zinc/72/00/50/1123720050.db2.gz GRMKOWMWFUFPNH-UHFFFAOYSA-N 1 2 340.452 3.698 20 0 EHADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCSC2(CCCCC2)C1 ZINC000079977095 1123733059 /nfs/dbraw/zinc/73/30/59/1123733059.db2.gz UGCIZGFJEOCDCG-UHFFFAOYSA-N 1 2 341.480 3.764 20 0 EHADLO Cc1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)cc[nH+]1 ZINC000080220817 1123746976 /nfs/dbraw/zinc/74/69/76/1123746976.db2.gz LUCDJBBXDLJULP-VIFPVBQESA-N 1 2 325.231 3.956 20 0 EHADLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000615333491 1123783030 /nfs/dbraw/zinc/78/30/30/1123783030.db2.gz CUWDUGHBHLUYCF-ZIAGYGMSSA-N 1 2 332.394 3.629 20 0 EHADLO C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000179580809 1123798917 /nfs/dbraw/zinc/79/89/17/1123798917.db2.gz VBEMRXZOYZWFIU-NTCAYCPXSA-N 1 2 335.382 3.731 20 0 EHADLO COc1ccccc1N1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000615454296 1123803154 /nfs/dbraw/zinc/80/31/54/1123803154.db2.gz ZUOLHCDDUVVAFP-CQSZACIVSA-N 1 2 332.394 3.857 20 0 EHADLO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000245384384 1123807308 /nfs/dbraw/zinc/80/73/08/1123807308.db2.gz VQJQSNADHWZYEU-CVEARBPZSA-N 1 2 342.405 3.918 20 0 EHADLO CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000245384384 1123807313 /nfs/dbraw/zinc/80/73/13/1123807313.db2.gz VQJQSNADHWZYEU-CVEARBPZSA-N 1 2 342.405 3.918 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000245444630 1123828289 /nfs/dbraw/zinc/82/82/89/1123828289.db2.gz YEXCZMSDUMGWRD-AUSJPIAWSA-N 1 2 336.435 3.909 20 0 EHADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000245444630 1123828295 /nfs/dbraw/zinc/82/82/95/1123828295.db2.gz YEXCZMSDUMGWRD-AUSJPIAWSA-N 1 2 336.435 3.909 20 0 EHADLO N#Cc1cccc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000179778796 1123855163 /nfs/dbraw/zinc/85/51/63/1123855163.db2.gz SQJCRHQFNNGQPX-UHFFFAOYSA-N 1 2 342.826 3.961 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245512733 1123857686 /nfs/dbraw/zinc/85/76/86/1123857686.db2.gz AUCNJYXHIHWKMS-IEBWSBKVSA-N 1 2 339.483 3.630 20 0 EHADLO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1)c1ccccc1 ZINC000245512733 1123857691 /nfs/dbraw/zinc/85/76/91/1123857691.db2.gz AUCNJYXHIHWKMS-IEBWSBKVSA-N 1 2 339.483 3.630 20 0 EHADLO C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543042371 1129151453 /nfs/dbraw/zinc/15/14/53/1129151453.db2.gz WGOLCJXZCPSXSH-AEFFLSMTSA-N 1 2 332.492 3.664 20 0 EHADLO CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000179903299 1123894305 /nfs/dbraw/zinc/89/43/05/1123894305.db2.gz FYUPUTPHECLUNP-ZWKOTPCHSA-N 1 2 332.513 3.999 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245696292 1123928050 /nfs/dbraw/zinc/92/80/50/1123928050.db2.gz PUQPMMWYOPMLKY-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245696292 1123928051 /nfs/dbraw/zinc/92/80/51/1123928051.db2.gz PUQPMMWYOPMLKY-MSOLQXFVSA-N 1 2 345.393 3.840 20 0 EHADLO Cc1cccc(CCCOCCOC(=O)c2ccc(Cl)s2)[nH+]1 ZINC000068373540 1123928476 /nfs/dbraw/zinc/92/84/76/1123928476.db2.gz ZCKVPJIGHOCKSU-UHFFFAOYSA-N 1 2 339.844 3.911 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C ZINC000246028264 1124003168 /nfs/dbraw/zinc/00/31/68/1124003168.db2.gz MFRFFJKMIPFHAT-YWZLYKJASA-N 1 2 343.423 3.683 20 0 EHADLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C ZINC000246028264 1124003173 /nfs/dbraw/zinc/00/31/73/1124003173.db2.gz MFRFFJKMIPFHAT-YWZLYKJASA-N 1 2 343.423 3.683 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246059655 1124009423 /nfs/dbraw/zinc/00/94/23/1124009423.db2.gz BBPCVQHSWMRJOI-SJORKVTESA-N 1 2 343.496 3.829 20 0 EHADLO Cc1ccccc1Cc1noc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246059655 1124009428 /nfs/dbraw/zinc/00/94/28/1124009428.db2.gz BBPCVQHSWMRJOI-SJORKVTESA-N 1 2 343.496 3.829 20 0 EHADLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000543063082 1129176810 /nfs/dbraw/zinc/17/68/10/1129176810.db2.gz OBMFSXQMKGSOMO-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000543063082 1129176815 /nfs/dbraw/zinc/17/68/15/1129176815.db2.gz OBMFSXQMKGSOMO-KBPBESRZSA-N 1 2 344.405 3.589 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC000617407285 1124526194 /nfs/dbraw/zinc/52/61/94/1124526194.db2.gz BKZOBOFGUCGTGE-UHFFFAOYSA-N 1 2 339.483 3.759 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)n1 ZINC000246799746 1124551378 /nfs/dbraw/zinc/55/13/78/1124551378.db2.gz MSZLBUDNFKWMQV-HOCLYGCPSA-N 1 2 349.500 3.657 20 0 EHADLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)n1 ZINC000246799746 1124551393 /nfs/dbraw/zinc/55/13/93/1124551393.db2.gz MSZLBUDNFKWMQV-HOCLYGCPSA-N 1 2 349.500 3.657 20 0 EHADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000247251956 1124599674 /nfs/dbraw/zinc/59/96/74/1124599674.db2.gz DXWRPWLRGKRMGP-DOMZBBRYSA-N 1 2 326.893 3.740 20 0 EHADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)CCS1 ZINC000247251956 1124599680 /nfs/dbraw/zinc/59/96/80/1124599680.db2.gz DXWRPWLRGKRMGP-DOMZBBRYSA-N 1 2 326.893 3.740 20 0 EHADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617515540 1124620909 /nfs/dbraw/zinc/62/09/09/1124620909.db2.gz GFRWQWFWIZYBPQ-IBGZPJMESA-N 1 2 345.874 3.630 20 0 EHADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000248885783 1124712347 /nfs/dbraw/zinc/71/23/47/1124712347.db2.gz HKDOJHBJEHPVTD-ZYHUDNBSSA-N 1 2 349.780 3.990 20 0 EHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000248885783 1124712352 /nfs/dbraw/zinc/71/23/52/1124712352.db2.gz HKDOJHBJEHPVTD-ZYHUDNBSSA-N 1 2 349.780 3.990 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000069390555 1124741422 /nfs/dbraw/zinc/74/14/22/1124741422.db2.gz RQVCKKMFBCEXJH-UHFFFAOYSA-N 1 2 335.451 3.705 20 0 EHADLO COc1cccc(CC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)c1 ZINC000649422061 1124742142 /nfs/dbraw/zinc/74/21/42/1124742142.db2.gz WCJNNCCTAPTTSC-UHFFFAOYSA-N 1 2 343.496 3.879 20 0 EHADLO Cc1ccc2oc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000069391520 1124743978 /nfs/dbraw/zinc/74/39/78/1124743978.db2.gz VJUCBEVQDPBEHU-UHFFFAOYSA-N 1 2 331.375 3.857 20 0 EHADLO O=C(/C=C\c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069533814 1124856218 /nfs/dbraw/zinc/85/62/18/1124856218.db2.gz GAXSCSDSJZOVHK-KTKRTIGZSA-N 1 2 327.453 3.781 20 0 EHADLO Cn1c(Cl)cnc1C[NH2+]C(C)(C)c1ccccc1Br ZINC000181512357 1124905204 /nfs/dbraw/zinc/90/52/04/1124905204.db2.gz OPVNMUISYNTSQQ-UHFFFAOYSA-N 1 2 342.668 3.861 20 0 EHADLO Cc1ccc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1C ZINC000618165202 1125014543 /nfs/dbraw/zinc/01/45/43/1125014543.db2.gz LJWUVUJWKCXYDY-HXUWFJFHSA-N 1 2 347.462 3.907 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)c1ccccc1F ZINC000766212063 1131326403 /nfs/dbraw/zinc/32/64/03/1131326403.db2.gz UDBCRNXYXFZFFN-UHFFFAOYSA-N 1 2 346.308 3.847 20 0 EHADLO Cc1c2cccc(F)c2oc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000619102117 1125281828 /nfs/dbraw/zinc/28/18/28/1125281828.db2.gz GPUKNMPTQNWOTP-UHFFFAOYSA-N 1 2 349.365 3.996 20 0 EHADLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865523 1125318920 /nfs/dbraw/zinc/31/89/20/1125318920.db2.gz CREUHMIUSAHYFG-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO COc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865523 1125318923 /nfs/dbraw/zinc/31/89/23/1125318923.db2.gz CREUHMIUSAHYFG-GOSISDBHSA-N 1 2 349.377 3.870 20 0 EHADLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000615333487 1125347403 /nfs/dbraw/zinc/34/74/03/1125347403.db2.gz CUWDUGHBHLUYCF-KBPBESRZSA-N 1 2 332.394 3.629 20 0 EHADLO CC[C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C)cc1 ZINC000152827972 1125385343 /nfs/dbraw/zinc/38/53/43/1125385343.db2.gz RLDKMGXHZYXNCP-IEBWSBKVSA-N 1 2 337.467 3.669 20 0 EHADLO CCOc1ccc([C@@H](C)NC(=O)CCCNc2cccc[nH+]2)cc1 ZINC000153077827 1125430265 /nfs/dbraw/zinc/43/02/65/1125430265.db2.gz UAVVGHNHXUVCCS-OAHLLOKOSA-N 1 2 327.428 3.550 20 0 EHADLO CCc1ncc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000929267404 1129191700 /nfs/dbraw/zinc/19/17/00/1129191700.db2.gz FFLKEENNUBQODN-UHFFFAOYSA-N 1 2 334.366 3.610 20 0 EHADLO O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000466129908 1129232584 /nfs/dbraw/zinc/23/25/84/1129232584.db2.gz OCBPDYDATBEZEB-YESZJQIVSA-N 1 2 347.528 3.544 20 0 EHADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(Cl)c1OCC(F)F ZINC000673316373 1129288547 /nfs/dbraw/zinc/28/85/47/1129288547.db2.gz YGCZNYGEHGAAJP-UHFFFAOYSA-N 1 2 343.761 3.599 20 0 EHADLO Cn1ccc(-c2nc(C[NH2+]Cc3cnccc3C(C)(C)C)cs2)n1 ZINC000922182012 1129304613 /nfs/dbraw/zinc/30/46/13/1129304613.db2.gz DMJATPARUBAACG-UHFFFAOYSA-N 1 2 341.484 3.526 20 0 EHADLO CN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068408188 1129368554 /nfs/dbraw/zinc/36/85/54/1129368554.db2.gz JNWXBVRWLIOODR-UHFFFAOYSA-N 1 2 349.887 3.559 20 0 EHADLO Cc1nc(C[NH2+][C@@H]2CCc3ccc(O)cc32)sc1Br ZINC000922248307 1129397930 /nfs/dbraw/zinc/39/79/30/1129397930.db2.gz IUFMFIBOTHPNGS-GFCCVEGCSA-N 1 2 339.258 3.697 20 0 EHADLO CCCCS[C@H](C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081317498 1129412962 /nfs/dbraw/zinc/41/29/62/1129412962.db2.gz CPUQWKMNDZRWIY-NVXWUHKLSA-N 1 2 345.512 3.742 20 0 EHADLO CC(C)CCSCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000081316889 1129413101 /nfs/dbraw/zinc/41/31/01/1129413101.db2.gz XONPYGGRRYAGRO-KRWDZBQOSA-N 1 2 345.512 3.599 20 0 EHADLO O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265847852 1129415053 /nfs/dbraw/zinc/41/50/53/1129415053.db2.gz FLYSQRGESZWWPK-OLZOCXBDSA-N 1 2 347.821 3.712 20 0 EHADLO COc1cc(Cl)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000480138830 1129433351 /nfs/dbraw/zinc/43/33/51/1129433351.db2.gz KZWSKZAPRRFWAA-LJQANCHMSA-N 1 2 341.842 3.961 20 0 EHADLO O=C(C1CCCCCC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471447 1129442440 /nfs/dbraw/zinc/44/24/40/1129442440.db2.gz MRQXVFOZLIMYRI-UHFFFAOYSA-N 1 2 335.517 3.578 20 0 EHADLO COC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc(OC)c1 ZINC000657612173 1129444134 /nfs/dbraw/zinc/44/41/34/1129444134.db2.gz VCCQZTXOJJNNJE-IBGZPJMESA-N 1 2 338.407 3.828 20 0 EHADLO CCC[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000466501436 1129496212 /nfs/dbraw/zinc/49/62/12/1129496212.db2.gz CNGLZMYUMAYVCJ-MRXNPFEDSA-N 1 2 326.444 3.594 20 0 EHADLO CC(C)(C)c1nc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000338856297 1129535765 /nfs/dbraw/zinc/53/57/65/1129535765.db2.gz IXVDOGVAEXZKRT-UHFFFAOYSA-N 1 2 340.452 3.808 20 0 EHADLO CC(C)CC1(C)CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673559638 1129548789 /nfs/dbraw/zinc/54/87/89/1129548789.db2.gz SUJCORJWTMIRBI-QGZVFWFLSA-N 1 2 344.503 3.518 20 0 EHADLO Cn1cc(-c2ccc(C[NH2+][C@@H]3c4ccccc4OC[C@@H]3F)s2)cn1 ZINC000922521035 1129561146 /nfs/dbraw/zinc/56/11/46/1129561146.db2.gz RKUJKUCXOJFIIX-MAUKXSAKSA-N 1 2 343.427 3.710 20 0 EHADLO O=C(c1ccc(Cl)s1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168729667 1129596685 /nfs/dbraw/zinc/59/66/85/1129596685.db2.gz JGCMCGGTLGCFGS-GFCCVEGCSA-N 1 2 341.263 3.842 20 0 EHADLO COC(=O)c1cnoc1C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000509007236 1129640995 /nfs/dbraw/zinc/64/09/95/1129640995.db2.gz POMCMEXXGWQMIX-UHFFFAOYSA-N 1 2 346.402 3.935 20 0 EHADLO COC(=O)c1cnoc1C[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000509007236 1129640997 /nfs/dbraw/zinc/64/09/97/1129640997.db2.gz POMCMEXXGWQMIX-UHFFFAOYSA-N 1 2 346.402 3.935 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)CC(F)(F)F ZINC000428967530 1129649260 /nfs/dbraw/zinc/64/92/60/1129649260.db2.gz MSXFJLQJLXLDPV-CYBMUJFWSA-N 1 2 348.413 3.598 20 0 EHADLO Cc1cc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ncn1 ZINC000428976036 1129655310 /nfs/dbraw/zinc/65/53/10/1129655310.db2.gz JAFDRKFRLHRHDK-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO Cc1cc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ncn1 ZINC000428976036 1129655312 /nfs/dbraw/zinc/65/53/12/1129655312.db2.gz JAFDRKFRLHRHDK-MRXNPFEDSA-N 1 2 339.336 3.875 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021001 1129659822 /nfs/dbraw/zinc/65/98/22/1129659822.db2.gz DUHHHPAITOLMJG-PMACEKPBSA-N 1 2 345.483 3.887 20 0 EHADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000509021001 1129659823 /nfs/dbraw/zinc/65/98/23/1129659823.db2.gz DUHHHPAITOLMJG-PMACEKPBSA-N 1 2 345.483 3.887 20 0 EHADLO COc1ccncc1C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000428999479 1129682298 /nfs/dbraw/zinc/68/22/98/1129682298.db2.gz LLFNJHNLCZAKLZ-ZDUSSCGKSA-N 1 2 349.837 3.593 20 0 EHADLO COc1ccncc1C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000428999479 1129682300 /nfs/dbraw/zinc/68/23/00/1129682300.db2.gz LLFNJHNLCZAKLZ-ZDUSSCGKSA-N 1 2 349.837 3.593 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000338885723 1129696196 /nfs/dbraw/zinc/69/61/96/1129696196.db2.gz BDYPWUJPKUUATI-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000338885723 1129696201 /nfs/dbraw/zinc/69/62/01/1129696201.db2.gz BDYPWUJPKUUATI-IFXJQAMLSA-N 1 2 344.405 3.759 20 0 EHADLO Oc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1Br ZINC000922885018 1129717558 /nfs/dbraw/zinc/71/75/58/1129717558.db2.gz YKQGRQSDGMHVCD-ZDUSSCGKSA-N 1 2 333.229 3.717 20 0 EHADLO CCn1ncnc1C[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000922885945 1129723807 /nfs/dbraw/zinc/72/38/07/1129723807.db2.gz AWLLKXZPQWZFBR-MJGOQNOKSA-N 1 2 334.423 3.653 20 0 EHADLO Cc1nc(C[NH2+][C@H]2CCCc3cccnc32)sc1Br ZINC000922886605 1129728263 /nfs/dbraw/zinc/72/82/63/1129728263.db2.gz OACQFQADQSPPSB-NSHDSACASA-N 1 2 338.274 3.776 20 0 EHADLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000673649737 1129758631 /nfs/dbraw/zinc/75/86/31/1129758631.db2.gz VGJKDWYVIUKUCT-UHFFFAOYSA-N 1 2 342.405 3.786 20 0 EHADLO C[C@H]1CN(c2ccc([NH2+][C@@H]3CCCC34CCOCC4)cc2)CCO1 ZINC000282428638 1129789776 /nfs/dbraw/zinc/78/97/76/1129789776.db2.gz DALNVUADUQPUAB-QFBILLFUSA-N 1 2 330.472 3.673 20 0 EHADLO O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282438575 1129822827 /nfs/dbraw/zinc/82/28/27/1129822827.db2.gz UWFYQBPJCZRPNT-CYBMUJFWSA-N 1 2 345.393 3.517 20 0 EHADLO CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000673781120 1129842891 /nfs/dbraw/zinc/84/28/91/1129842891.db2.gz MASXHLGUYKQWND-GDBMZVCRSA-N 1 2 342.487 3.794 20 0 EHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3c3ccccc3)[nH+]c12 ZINC000673780998 1129842915 /nfs/dbraw/zinc/84/29/15/1129842915.db2.gz IURASXRXHYQEJM-IBGZPJMESA-N 1 2 348.450 3.732 20 0 EHADLO C[C@H]1CC/C(=C\C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282452323 1129872067 /nfs/dbraw/zinc/87/20/67/1129872067.db2.gz VNIFBZIFEAMCHP-MREAOZFUSA-N 1 2 327.472 3.672 20 0 EHADLO CC1(C)[C@@H]([NH2+]Cc2noc(C3CCC3)n2)C[C@@H]1OCc1ccccc1 ZINC000625459163 1129886467 /nfs/dbraw/zinc/88/64/67/1129886467.db2.gz RZWAPXNWCGZPFH-IRXDYDNUSA-N 1 2 341.455 3.811 20 0 EHADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000455651141 1129905743 /nfs/dbraw/zinc/90/57/43/1129905743.db2.gz NXLGXBLTUROMOB-TWMKSMIVSA-N 1 2 332.492 3.524 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cn[nH]c1 ZINC000673927066 1129908875 /nfs/dbraw/zinc/90/88/75/1129908875.db2.gz KJPCGZVQPFPZIL-HNNXBMFYSA-N 1 2 334.423 3.536 20 0 EHADLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927066 1129908878 /nfs/dbraw/zinc/90/88/78/1129908878.db2.gz KJPCGZVQPFPZIL-HNNXBMFYSA-N 1 2 334.423 3.536 20 0 EHADLO Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282484247 1129932373 /nfs/dbraw/zinc/93/23/73/1129932373.db2.gz XVFAWUZPRCTXKN-ZNFPLGDCSA-N 1 2 339.439 3.540 20 0 EHADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(Oc2ccccc2)o1 ZINC000673988896 1129941651 /nfs/dbraw/zinc/94/16/51/1129941651.db2.gz QITQFUMTSABHJB-UHFFFAOYSA-N 1 2 348.402 3.818 20 0 EHADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1ncnn1C(C)(C)C)CCCS2 ZINC000282492136 1129943615 /nfs/dbraw/zinc/94/36/15/1129943615.db2.gz HSXMOMHNHGXBQS-OAHLLOKOSA-N 1 2 346.500 3.759 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010217 1129957559 /nfs/dbraw/zinc/95/75/59/1129957559.db2.gz PRSQJAWFHQUNLW-RTBURBONSA-N 1 2 342.414 3.998 20 0 EHADLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674010217 1129957562 /nfs/dbraw/zinc/95/75/62/1129957562.db2.gz PRSQJAWFHQUNLW-RTBURBONSA-N 1 2 342.414 3.998 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674011386 1129957933 /nfs/dbraw/zinc/95/79/33/1129957933.db2.gz WGZJFHDNSUWTFN-SUMWQHHRSA-N 1 2 344.455 3.607 20 0 EHADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674011386 1129957934 /nfs/dbraw/zinc/95/79/34/1129957934.db2.gz WGZJFHDNSUWTFN-SUMWQHHRSA-N 1 2 344.455 3.607 20 0 EHADLO Cc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1Br ZINC000429202920 1129969208 /nfs/dbraw/zinc/96/92/08/1129969208.db2.gz GRCBMOKOAWMUMS-UHFFFAOYSA-N 1 2 343.228 3.950 20 0 EHADLO O=C(CCCn1cc[nH+]c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000674357021 1130073653 /nfs/dbraw/zinc/07/36/53/1130073653.db2.gz ASRXZMXNOIKOKQ-UHFFFAOYSA-N 1 2 347.409 3.913 20 0 EHADLO COc1cccc(C[N@@H+](Cc2ccn(C(C)C)n2)C[C@@H]2CCCO2)c1 ZINC000172012807 1130100196 /nfs/dbraw/zinc/10/01/96/1130100196.db2.gz PPWYNHBUZKQSFY-FQEVSTJZSA-N 1 2 343.471 3.654 20 0 EHADLO COc1cccc(C[N@H+](Cc2ccn(C(C)C)n2)C[C@@H]2CCCO2)c1 ZINC000172012807 1130100201 /nfs/dbraw/zinc/10/02/01/1130100201.db2.gz PPWYNHBUZKQSFY-FQEVSTJZSA-N 1 2 343.471 3.654 20 0 EHADLO COc1cccc([C@H]([NH2+]Cc2cnn(C)c2)c2ccccc2Cl)c1 ZINC000172837776 1130163753 /nfs/dbraw/zinc/16/37/53/1130163753.db2.gz OFXQFAVNJBJSTR-IBGZPJMESA-N 1 2 341.842 3.961 20 0 EHADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000674717920 1130181208 /nfs/dbraw/zinc/18/12/08/1130181208.db2.gz VLHOBABVTVCVCI-KRWDZBQOSA-N 1 2 335.407 3.699 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000674913515 1130223517 /nfs/dbraw/zinc/22/35/17/1130223517.db2.gz BPMHKVJNKLGTHS-LEWJYISDSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000674913515 1130223519 /nfs/dbraw/zinc/22/35/19/1130223519.db2.gz BPMHKVJNKLGTHS-LEWJYISDSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000674913516 1130223601 /nfs/dbraw/zinc/22/36/01/1130223601.db2.gz BPMHKVJNKLGTHS-NHCUHLMSSA-N 1 2 339.435 3.859 20 0 EHADLO c1ccc(Oc2ccccc2C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000674913516 1130223605 /nfs/dbraw/zinc/22/36/05/1130223605.db2.gz BPMHKVJNKLGTHS-NHCUHLMSSA-N 1 2 339.435 3.859 20 0 EHADLO C[C@@H](NC(=O)N1CCC[C@@H](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456745 1130235030 /nfs/dbraw/zinc/23/50/30/1130235030.db2.gz NNWKXSQZRPQRMD-HZPDHXFCSA-N 1 2 326.444 3.765 20 0 EHADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000509238371 1130250133 /nfs/dbraw/zinc/25/01/33/1130250133.db2.gz VENWRVSVPZLROW-QZTJIDSGSA-N 1 2 341.499 3.727 20 0 EHADLO Cc1cc(C)cc(C[N@H+](C)Cn2c(=O)scc2C(F)(F)F)c1 ZINC000766093061 1130271968 /nfs/dbraw/zinc/27/19/68/1130271968.db2.gz RDDIVYJVWPXBKT-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO Cc1cc(C)cc(C[N@@H+](C)Cn2c(=O)scc2C(F)(F)F)c1 ZINC000766093061 1130271973 /nfs/dbraw/zinc/27/19/73/1130271973.db2.gz RDDIVYJVWPXBKT-UHFFFAOYSA-N 1 2 330.375 3.635 20 0 EHADLO CC[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCCC1 ZINC001128970194 1130294333 /nfs/dbraw/zinc/29/43/33/1130294333.db2.gz CYXBJZPHSAODDC-OALUTQOASA-N 1 2 346.540 3.862 20 0 EHADLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675257549 1130299753 /nfs/dbraw/zinc/29/97/53/1130299753.db2.gz NCJWVUWDDOJDOC-MLGOLLRUSA-N 1 2 341.386 3.800 20 0 EHADLO Cc1ccc(CCC(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000675573344 1130427264 /nfs/dbraw/zinc/42/72/64/1130427264.db2.gz MKHQMODLGUGMOV-UHFFFAOYSA-N 1 2 327.815 3.545 20 0 EHADLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1C(F)(F)F ZINC000675573918 1130428508 /nfs/dbraw/zinc/42/85/08/1130428508.db2.gz ZERLLYFVGWVLEI-GFCCVEGCSA-N 1 2 347.340 3.773 20 0 EHADLO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000675859627 1130493902 /nfs/dbraw/zinc/49/39/02/1130493902.db2.gz WNQTZQYVVZGSON-IBGZPJMESA-N 1 2 348.450 3.889 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1nnc2ccccn21 ZINC000675893581 1130497150 /nfs/dbraw/zinc/49/71/50/1130497150.db2.gz QBPNGRSNLJQGDN-LBPRGKRZSA-N 1 2 345.244 3.685 20 0 EHADLO C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000675893581 1130497152 /nfs/dbraw/zinc/49/71/52/1130497152.db2.gz QBPNGRSNLJQGDN-LBPRGKRZSA-N 1 2 345.244 3.685 20 0 EHADLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000675896762 1130498474 /nfs/dbraw/zinc/49/84/74/1130498474.db2.gz YGFXNGZNDHIPMZ-OCCSQVGLSA-N 1 2 339.443 3.901 20 0 EHADLO CCc1ncc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)s1 ZINC001129119656 1130506397 /nfs/dbraw/zinc/50/63/97/1130506397.db2.gz CEPPYNLBAHKAOD-UHFFFAOYSA-N 1 2 326.425 3.572 20 0 EHADLO COCc1ccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cc1 ZINC001129120181 1130506869 /nfs/dbraw/zinc/50/68/69/1130506869.db2.gz MHRHENDEWSDTMM-UHFFFAOYSA-N 1 2 335.407 3.700 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)CCOC(C)(C)C)nc(=O)c2c1C ZINC000676043286 1130523135 /nfs/dbraw/zinc/52/31/35/1130523135.db2.gz NWXYYJCXNLQXPD-NSHDSACASA-N 1 2 337.489 3.822 20 0 EHADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)CCOC(C)(C)C)nc(=O)c2c1C ZINC000676043286 1130523139 /nfs/dbraw/zinc/52/31/39/1130523139.db2.gz NWXYYJCXNLQXPD-NSHDSACASA-N 1 2 337.489 3.822 20 0 EHADLO CCCCC[C@@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000676048214 1130524031 /nfs/dbraw/zinc/52/40/31/1130524031.db2.gz BOICYDOORWLCRC-GOSISDBHSA-N 1 2 342.487 3.940 20 0 EHADLO Cc1oc2nc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)nc(N)c2c1C ZINC000676086131 1130530546 /nfs/dbraw/zinc/53/05/46/1130530546.db2.gz YKIVHPXUXKVLSU-HNNXBMFYSA-N 1 2 340.402 3.898 20 0 EHADLO Cc1oc2nc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)nc(N)c2c1C ZINC000676086131 1130530550 /nfs/dbraw/zinc/53/05/50/1130530550.db2.gz YKIVHPXUXKVLSU-HNNXBMFYSA-N 1 2 340.402 3.898 20 0 EHADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H](C)c1cc2ccccc2o1 ZINC000131462428 1130534036 /nfs/dbraw/zinc/53/40/36/1130534036.db2.gz PFBWIWDWQWNQSU-ZBFHGGJFSA-N 1 2 337.423 3.801 20 0 EHADLO CC1(C)C[C@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000676305465 1130560568 /nfs/dbraw/zinc/56/05/68/1130560568.db2.gz LGSVPQZLWADMSU-QAPCUYQASA-N 1 2 338.455 3.652 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535304855 1130590275 /nfs/dbraw/zinc/59/02/75/1130590275.db2.gz VDAIAEOKLDDOER-GOSISDBHSA-N 1 2 337.423 3.588 20 0 EHADLO CCC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535304855 1130590278 /nfs/dbraw/zinc/59/02/78/1130590278.db2.gz VDAIAEOKLDDOER-GOSISDBHSA-N 1 2 337.423 3.588 20 0 EHADLO COc1ccccc1/C(C)=C/C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727862128 1130603232 /nfs/dbraw/zinc/60/32/32/1130603232.db2.gz BOPWTFBSBXZEHP-NKAIQICCSA-N 1 2 341.455 3.526 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](CC)Cc2ccccc2)C1 ZINC000728039512 1130620083 /nfs/dbraw/zinc/62/00/83/1130620083.db2.gz MMDDZJYAGWAWGW-OAHLLOKOSA-N 1 2 330.497 3.904 20 0 EHADLO CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](CC)Cc2ccccc2)C1 ZINC000728039512 1130620087 /nfs/dbraw/zinc/62/00/87/1130620087.db2.gz MMDDZJYAGWAWGW-OAHLLOKOSA-N 1 2 330.497 3.904 20 0 EHADLO O=C(Oc1ccccc1OC(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000729954523 1130658756 /nfs/dbraw/zinc/65/87/56/1130658756.db2.gz JKWMSSXVRPAQGC-UHFFFAOYSA-N 1 2 344.317 3.752 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000730262136 1130692699 /nfs/dbraw/zinc/69/26/99/1130692699.db2.gz YHYWZMNVMDVPMJ-CQSZACIVSA-N 1 2 349.883 3.733 20 0 EHADLO C[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000730262136 1130692703 /nfs/dbraw/zinc/69/27/03/1130692703.db2.gz YHYWZMNVMDVPMJ-CQSZACIVSA-N 1 2 349.883 3.733 20 0 EHADLO O=C(/C=C\c1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730506379 1130715603 /nfs/dbraw/zinc/71/56/03/1130715603.db2.gz KAPMHBMPFIQHBI-KHPPLWFESA-N 1 2 335.451 3.792 20 0 EHADLO CC(C)OC1CC[NH+](Cn2ccn(Cc3ccccc3)c2=S)CC1 ZINC000730564418 1130720394 /nfs/dbraw/zinc/72/03/94/1130720394.db2.gz SQTNQBVLAQTGRO-UHFFFAOYSA-N 1 2 345.512 3.914 20 0 EHADLO CCOCC[N@H+](CC)Cn1ccn(-c2ccc(C)c(C)c2)c1=S ZINC000730802337 1130739157 /nfs/dbraw/zinc/73/91/57/1130739157.db2.gz QSORLLFAUQHVPA-UHFFFAOYSA-N 1 2 333.501 3.941 20 0 EHADLO CCOCC[N@@H+](CC)Cn1ccn(-c2ccc(C)c(C)c2)c1=S ZINC000730802337 1130739164 /nfs/dbraw/zinc/73/91/64/1130739164.db2.gz QSORLLFAUQHVPA-UHFFFAOYSA-N 1 2 333.501 3.941 20 0 EHADLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)Cc1cccs1 ZINC000731029268 1130760133 /nfs/dbraw/zinc/76/01/33/1130760133.db2.gz QNAPXOMACAZHEJ-UHFFFAOYSA-N 1 2 327.409 3.953 20 0 EHADLO C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000731981343 1130872628 /nfs/dbraw/zinc/87/26/28/1130872628.db2.gz JZQQAJHYQOMFKA-RVDMUPIBSA-N 1 2 335.382 3.731 20 0 EHADLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732985759 1130978992 /nfs/dbraw/zinc/97/89/92/1130978992.db2.gz HDYQWWMWPIFYRL-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732985759 1130978996 /nfs/dbraw/zinc/97/89/96/1130978996.db2.gz HDYQWWMWPIFYRL-LJQANCHMSA-N 1 2 344.405 3.727 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987494 1130979572 /nfs/dbraw/zinc/97/95/72/1130979572.db2.gz WMKMRGNGOMBGTJ-BFUOFWGJSA-N 1 2 348.437 3.891 20 0 EHADLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000732987494 1130979575 /nfs/dbraw/zinc/97/95/75/1130979575.db2.gz WMKMRGNGOMBGTJ-BFUOFWGJSA-N 1 2 348.437 3.891 20 0 EHADLO COc1ccc2cc(/C=C/C(=O)NCCCCn3cc[nH+]c3)ccc2c1 ZINC000733166533 1131002608 /nfs/dbraw/zinc/00/26/08/1131002608.db2.gz OFOGCBJRVNHFIA-WEVVVXLNSA-N 1 2 349.434 3.655 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199896 1131004695 /nfs/dbraw/zinc/00/46/95/1131004695.db2.gz WZGCAXPTHWMIAT-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000733199896 1131004700 /nfs/dbraw/zinc/00/47/00/1131004700.db2.gz WZGCAXPTHWMIAT-CYBMUJFWSA-N 1 2 340.414 3.969 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000733294300 1131022749 /nfs/dbraw/zinc/02/27/49/1131022749.db2.gz ACIOSLKKUKOWTG-LLVKDONJSA-N 1 2 327.255 3.784 20 0 EHADLO C[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000733294300 1131022755 /nfs/dbraw/zinc/02/27/55/1131022755.db2.gz ACIOSLKKUKOWTG-LLVKDONJSA-N 1 2 327.255 3.784 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1c(C)nn(C)c1C ZINC000348049890 1131129105 /nfs/dbraw/zinc/12/91/05/1131129105.db2.gz QPVAKRMBWJPPHX-AAEUAGOBSA-N 1 2 345.472 3.950 20 0 EHADLO CCCc1occc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000282651769 1131132632 /nfs/dbraw/zinc/13/26/32/1131132632.db2.gz PILDJUAZZVGLHG-UHFFFAOYSA-N 1 2 342.439 3.625 20 0 EHADLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C(F)F)c1 ZINC000348046271 1131136753 /nfs/dbraw/zinc/13/67/53/1131136753.db2.gz ITUAAYDBEGUNPL-UHFFFAOYSA-N 1 2 330.338 3.701 20 0 EHADLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C(F)F)c1 ZINC000348046271 1131136758 /nfs/dbraw/zinc/13/67/58/1131136758.db2.gz ITUAAYDBEGUNPL-UHFFFAOYSA-N 1 2 330.338 3.701 20 0 EHADLO COc1ccc(Cl)cc1C[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000736355819 1131418409 /nfs/dbraw/zinc/41/84/09/1131418409.db2.gz ZETUECQVCZMMCN-UHFFFAOYSA-N 1 2 333.794 3.664 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCSC[C@@H]1C ZINC000738337997 1131466383 /nfs/dbraw/zinc/46/63/83/1131466383.db2.gz DTDSQERFWXPMMV-ZDUSSCGKSA-N 1 2 335.904 3.831 20 0 EHADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCSC[C@@H]1C ZINC000738337997 1131466386 /nfs/dbraw/zinc/46/63/86/1131466386.db2.gz DTDSQERFWXPMMV-ZDUSSCGKSA-N 1 2 335.904 3.831 20 0 EHADLO Cc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000738391436 1131469016 /nfs/dbraw/zinc/46/90/16/1131469016.db2.gz IPJALKOIQXHPQF-UHFFFAOYSA-N 1 2 348.811 3.602 20 0 EHADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000738950867 1131490888 /nfs/dbraw/zinc/49/08/88/1131490888.db2.gz UIZZIKIZAHPRIC-LLVKDONJSA-N 1 2 329.429 3.633 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)Cn1cc[nH+]c1 ZINC000740727794 1131538501 /nfs/dbraw/zinc/53/85/01/1131538501.db2.gz ZSGRRZUIBJYNMC-LLVKDONJSA-N 1 2 343.374 3.561 20 0 EHADLO CC(C)[C@H](C(=O)OCC(=O)c1cc2ccccc2o1)[NH+]1CCCCC1 ZINC000741011073 1131565874 /nfs/dbraw/zinc/56/58/74/1131565874.db2.gz PPZKUHZKJFKJQX-LJQANCHMSA-N 1 2 343.423 3.669 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150775 1131583710 /nfs/dbraw/zinc/58/37/10/1131583710.db2.gz MYGQBDRZZRPTGF-ZFWWWQNUSA-N 1 2 345.443 3.664 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000741150775 1131583714 /nfs/dbraw/zinc/58/37/14/1131583714.db2.gz MYGQBDRZZRPTGF-ZFWWWQNUSA-N 1 2 345.443 3.664 20 0 EHADLO CC(C)c1cnc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000741352945 1131598138 /nfs/dbraw/zinc/59/81/38/1131598138.db2.gz NQNMYSDQUICLMR-QGZVFWFLSA-N 1 2 342.439 3.896 20 0 EHADLO CC(C)c1cnc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000741352945 1131598140 /nfs/dbraw/zinc/59/81/40/1131598140.db2.gz NQNMYSDQUICLMR-QGZVFWFLSA-N 1 2 342.439 3.896 20 0 EHADLO Cc1cccc(OCc2nn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)o2)c1 ZINC000742166825 1131691551 /nfs/dbraw/zinc/69/15/51/1131691551.db2.gz RKHOIFCYGCFBKW-GASCZTMLSA-N 1 2 345.468 3.638 20 0 EHADLO Cc1cccc(OCc2nn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)o2)c1 ZINC000742166825 1131691553 /nfs/dbraw/zinc/69/15/53/1131691553.db2.gz RKHOIFCYGCFBKW-GASCZTMLSA-N 1 2 345.468 3.638 20 0 EHADLO Cc1ccc(-n2cnn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2=S)c(C)c1 ZINC000742164670 1131691735 /nfs/dbraw/zinc/69/17/35/1131691735.db2.gz OCTYSNJWPWHSPL-GASCZTMLSA-N 1 2 328.485 3.565 20 0 EHADLO Cc1ccc(-n2cnn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2=S)c(C)c1 ZINC000742164670 1131691736 /nfs/dbraw/zinc/69/17/36/1131691736.db2.gz OCTYSNJWPWHSPL-GASCZTMLSA-N 1 2 328.485 3.565 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)cc2c1C ZINC000742237897 1131699033 /nfs/dbraw/zinc/69/90/33/1131699033.db2.gz SBNFBQVEHMAQOQ-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO Cc1[nH]c2ccc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)cc2c1C ZINC000742237897 1131699035 /nfs/dbraw/zinc/69/90/35/1131699035.db2.gz SBNFBQVEHMAQOQ-UHFFFAOYSA-N 1 2 349.425 3.586 20 0 EHADLO CCOc1ccccc1OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000742357846 1131708783 /nfs/dbraw/zinc/70/87/83/1131708783.db2.gz RLBJUPOVQMHWCD-UHFFFAOYSA-N 1 2 348.830 3.859 20 0 EHADLO CC(C)COCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172485856 1131739805 /nfs/dbraw/zinc/73/98/05/1131739805.db2.gz ZNHBXFRVKCAXBM-KBXCAEBGSA-N 1 2 327.415 3.789 20 0 EHADLO CC(C)COCC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172485856 1131739811 /nfs/dbraw/zinc/73/98/11/1131739811.db2.gz ZNHBXFRVKCAXBM-KBXCAEBGSA-N 1 2 327.415 3.789 20 0 EHADLO O=C(/C=C\C1CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000742536613 1131746519 /nfs/dbraw/zinc/74/65/19/1131746519.db2.gz AZIFMJKNUWZSNL-QWGSZXSUSA-N 1 2 336.838 3.698 20 0 EHADLO OC1C[NH+](Cc2ccc(Nc3cnc4cccc(Cl)c4c3)cc2)C1 ZINC001212667494 1131754107 /nfs/dbraw/zinc/75/41/07/1131754107.db2.gz VSNGYHGDVMDTQR-UHFFFAOYSA-N 1 2 339.826 3.808 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(OCc2ccccc2)ccn1 ZINC000742666662 1131767723 /nfs/dbraw/zinc/76/77/23/1131767723.db2.gz MKUVRCUWCRPWDL-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO Oc1cc(Cl)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1Cl ZINC001212669143 1131768871 /nfs/dbraw/zinc/76/88/71/1131768871.db2.gz JBRAFAQVQLWGAH-UHFFFAOYSA-N 1 2 339.222 3.619 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572374 1131777505 /nfs/dbraw/zinc/77/75/05/1131777505.db2.gz VVKZBSRCCMHXOU-MGPLVRAMSA-N 1 2 349.780 3.526 20 0 EHADLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172572374 1131777508 /nfs/dbraw/zinc/77/75/08/1131777508.db2.gz VVKZBSRCCMHXOU-MGPLVRAMSA-N 1 2 349.780 3.526 20 0 EHADLO COC(=O)[C@@H]([NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F)C(C)C ZINC001172575705 1131779313 /nfs/dbraw/zinc/77/93/13/1131779313.db2.gz JTTCPFMZIZPRRY-BMIGLBTASA-N 1 2 333.806 3.727 20 0 EHADLO CCOC(=O)[C@H](CCSC)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539303 1131781379 /nfs/dbraw/zinc/78/13/79/1131781379.db2.gz FOEYFPQZUJWWBS-SQNIBIBYSA-N 1 2 335.513 3.987 20 0 EHADLO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC001172871199 1131889398 /nfs/dbraw/zinc/88/93/98/1131889398.db2.gz JFPXWUUNVXVSIQ-ZDUSSCGKSA-N 1 2 340.870 3.600 20 0 EHADLO CCC1CC[NH+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)CC1 ZINC000743351557 1131897661 /nfs/dbraw/zinc/89/76/61/1131897661.db2.gz QSFCXIQUWLWLIV-UHFFFAOYSA-N 1 2 330.428 3.513 20 0 EHADLO Cc1cc(C)c2c(=O)n(C[NH+]3CCC4(CCCC4)CC3)sc2n1 ZINC000743369963 1131903767 /nfs/dbraw/zinc/90/37/67/1131903767.db2.gz KESWNZAOXHTOLQ-UHFFFAOYSA-N 1 2 331.485 3.689 20 0 EHADLO CC[C@@H]1C[N@H+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CCS1 ZINC000743401313 1131912667 /nfs/dbraw/zinc/91/26/67/1131912667.db2.gz YBFZJXFIMLBNFL-MRXNPFEDSA-N 1 2 349.525 3.802 20 0 EHADLO CC[C@@H]1C[N@@H+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CCS1 ZINC000743401313 1131912673 /nfs/dbraw/zinc/91/26/73/1131912673.db2.gz YBFZJXFIMLBNFL-MRXNPFEDSA-N 1 2 349.525 3.802 20 0 EHADLO CC1(C)CC(=O)N(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)C1=O ZINC000743376562 1131913145 /nfs/dbraw/zinc/91/31/45/1131913145.db2.gz LFSDPTCWJDPJCV-LJQANCHMSA-N 1 2 348.446 3.529 20 0 EHADLO CC1(C)CC(=O)N(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)C1=O ZINC000743376562 1131913150 /nfs/dbraw/zinc/91/31/50/1131913150.db2.gz LFSDPTCWJDPJCV-LJQANCHMSA-N 1 2 348.446 3.529 20 0 EHADLO Fc1ccccc1-n1nccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695247 1131925835 /nfs/dbraw/zinc/92/58/35/1131925835.db2.gz VNDSKACCXHECKV-UHFFFAOYSA-N 1 2 333.370 4.000 20 0 EHADLO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3c(F)cccc3F)C2=O)cc1 ZINC000743472976 1131928747 /nfs/dbraw/zinc/92/87/47/1131928747.db2.gz USLAEGYMPXOIEQ-DYVFJYSZSA-N 1 2 330.378 3.729 20 0 EHADLO COC(=O)Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C ZINC001212699799 1131934912 /nfs/dbraw/zinc/93/49/12/1131934912.db2.gz FEXITMAEEXGFPH-UHFFFAOYSA-N 1 2 335.407 3.699 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000743564808 1131942233 /nfs/dbraw/zinc/94/22/33/1131942233.db2.gz JQDWUYWBJFZILM-OALUTQOASA-N 1 2 338.455 3.640 20 0 EHADLO CCc1ccc(C[C@H](C)[N@@H+]2CCn3cc(C(F)(F)F)nc3C2)cc1 ZINC001173242932 1132030073 /nfs/dbraw/zinc/03/00/73/1132030073.db2.gz IQNFIGCSEYLPNY-ZDUSSCGKSA-N 1 2 337.389 3.911 20 0 EHADLO CCc1ccc(C[C@H](C)[N@H+]2CCn3cc(C(F)(F)F)nc3C2)cc1 ZINC001173242932 1132030082 /nfs/dbraw/zinc/03/00/82/1132030082.db2.gz IQNFIGCSEYLPNY-ZDUSSCGKSA-N 1 2 337.389 3.911 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000744432786 1132095582 /nfs/dbraw/zinc/09/55/82/1132095582.db2.gz ZRQXXWTVKNMKDH-HNNXBMFYSA-N 1 2 342.405 3.989 20 0 EHADLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000744432786 1132095591 /nfs/dbraw/zinc/09/55/91/1132095591.db2.gz ZRQXXWTVKNMKDH-HNNXBMFYSA-N 1 2 342.405 3.989 20 0 EHADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000744448598 1132101660 /nfs/dbraw/zinc/10/16/60/1132101660.db2.gz VLZDVEQFSRSIDR-DYZYQPBXSA-N 1 2 333.794 3.567 20 0 EHADLO Cc1cc(C)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001173829528 1132161445 /nfs/dbraw/zinc/16/14/45/1132161445.db2.gz UTEQUQVXTSTJOL-UHFFFAOYSA-N 1 2 326.440 3.758 20 0 EHADLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(C(C)=O)c3)c2c1 ZINC001173902715 1132167708 /nfs/dbraw/zinc/16/77/08/1132167708.db2.gz NUQQVBVVVOVKKO-UHFFFAOYSA-N 1 2 334.375 3.780 20 0 EHADLO Cc1nc(Nc2ccc3[nH]ccc3c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001173937264 1132189325 /nfs/dbraw/zinc/18/93/25/1132189325.db2.gz PAVBEDYGRSVMIT-STQMWFEESA-N 1 2 337.427 3.624 20 0 EHADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc3[nH]ccc3c2)[nH+]1 ZINC001173937264 1132189330 /nfs/dbraw/zinc/18/93/30/1132189330.db2.gz PAVBEDYGRSVMIT-STQMWFEESA-N 1 2 337.427 3.624 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000745084928 1132190891 /nfs/dbraw/zinc/19/08/91/1132190891.db2.gz LSRDVGYEARACNF-MAUKXSAKSA-N 1 2 346.471 3.556 20 0 EHADLO CC[C@H](C)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000745084928 1132190893 /nfs/dbraw/zinc/19/08/93/1132190893.db2.gz LSRDVGYEARACNF-MAUKXSAKSA-N 1 2 346.471 3.556 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)OCCOC1CCCCCC1)c1ccccc1 ZINC000745097595 1132192691 /nfs/dbraw/zinc/19/26/91/1132192691.db2.gz GWOAXTREAVLSHC-LJQANCHMSA-N 1 2 333.472 3.962 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)OCCOC1CCCCCC1)c1ccccc1 ZINC000745097595 1132192694 /nfs/dbraw/zinc/19/26/94/1132192694.db2.gz GWOAXTREAVLSHC-LJQANCHMSA-N 1 2 333.472 3.962 20 0 EHADLO Cc1ccc(F)c(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001174110359 1132230596 /nfs/dbraw/zinc/23/05/96/1132230596.db2.gz AFACNMFYMYQSGX-BETUJISGSA-N 1 2 330.407 3.590 20 0 EHADLO O=C(NCc1ccco1)c1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001174156354 1132258442 /nfs/dbraw/zinc/25/84/42/1132258442.db2.gz MPFBWCDDWUSKJV-UHFFFAOYSA-N 1 2 332.363 3.601 20 0 EHADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)CCc1c[nH+]cn1C)CCC2 ZINC000189364357 1132280498 /nfs/dbraw/zinc/28/04/98/1132280498.db2.gz MWOIVJTYYGUWDD-LJQANCHMSA-N 1 2 325.456 3.670 20 0 EHADLO COc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccn1 ZINC001174304244 1132297012 /nfs/dbraw/zinc/29/70/12/1132297012.db2.gz PTOBQRNFHUPMTE-UHFFFAOYSA-N 1 2 330.185 3.566 20 0 EHADLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000766333650 1132297868 /nfs/dbraw/zinc/29/78/68/1132297868.db2.gz WLUPUCKNEYCDHJ-UHFFFAOYSA-N 1 2 334.529 3.999 20 0 EHADLO CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000745783235 1132315324 /nfs/dbraw/zinc/31/53/24/1132315324.db2.gz LSILOMIJVWHWBB-LPHOPBHVSA-N 1 2 340.471 3.983 20 0 EHADLO COc1ccc2nc(Nc3ccc4c(c3)[nH+]cn4C(C)C)nnc2c1 ZINC001174381075 1132343085 /nfs/dbraw/zinc/34/30/85/1132343085.db2.gz SXTDOYZJWFFEFG-UHFFFAOYSA-N 1 2 334.383 3.708 20 0 EHADLO CC(C)n1c[nH+]c2cc(Nc3cccc(S(C)(=O)=O)c3)ccc21 ZINC001174381616 1132343439 /nfs/dbraw/zinc/34/34/39/1132343439.db2.gz OXWBVBXJTDEGOH-UHFFFAOYSA-N 1 2 329.425 3.764 20 0 EHADLO COC(=O)c1ccc(O)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174381134 1132343849 /nfs/dbraw/zinc/34/38/49/1132343849.db2.gz GXYMAYVLFVWXHM-UHFFFAOYSA-N 1 2 325.368 3.853 20 0 EHADLO O=C(N1CCc2cc(Nc3cc[nH+]c4[nH]ccc43)ccc21)C(F)(F)F ZINC001174410965 1132366267 /nfs/dbraw/zinc/36/62/67/1132366267.db2.gz AYTJBGSWWDARNT-UHFFFAOYSA-N 1 2 346.312 3.710 20 0 EHADLO CCOC(=O)c1nc(C[N@H+](CCc2ccccc2)C2CC2)cs1 ZINC000746119202 1132378194 /nfs/dbraw/zinc/37/81/94/1132378194.db2.gz RWAJKJVTWUNPGE-UHFFFAOYSA-N 1 2 330.453 3.527 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+](CCc2ccccc2)C2CC2)cs1 ZINC000746119202 1132378202 /nfs/dbraw/zinc/37/82/02/1132378202.db2.gz RWAJKJVTWUNPGE-UHFFFAOYSA-N 1 2 330.453 3.527 20 0 EHADLO CCOC(=O)c1cc2ccc(N)cc2n1-c1ccc([NH+]2CCCC2)cc1 ZINC001174527493 1132383905 /nfs/dbraw/zinc/38/39/05/1132383905.db2.gz GSPKSYXKGOQYNE-UHFFFAOYSA-N 1 2 349.434 3.990 20 0 EHADLO COC(=O)c1cn(-c2ccc([NH+]3CCCC3)cc2)c2ccc(N)cc12 ZINC001174527905 1132384448 /nfs/dbraw/zinc/38/44/48/1132384448.db2.gz RYZQGGCAPONPIK-UHFFFAOYSA-N 1 2 335.407 3.600 20 0 EHADLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)sc1-c1ccccc1 ZINC000746287122 1132398038 /nfs/dbraw/zinc/39/80/38/1132398038.db2.gz XXYMCMQUNRKFLK-AWEZNQCLSA-N 1 2 338.436 3.516 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000189028237 1132441436 /nfs/dbraw/zinc/44/14/36/1132441436.db2.gz KWWWJLXUWYIBOE-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000189028237 1132441442 /nfs/dbraw/zinc/44/14/42/1132441442.db2.gz KWWWJLXUWYIBOE-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000193083273 1132477183 /nfs/dbraw/zinc/47/71/83/1132477183.db2.gz HISDKSWNALFVDC-UHFFFAOYSA-N 1 2 339.826 3.979 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000193083273 1132477186 /nfs/dbraw/zinc/47/71/86/1132477186.db2.gz HISDKSWNALFVDC-UHFFFAOYSA-N 1 2 339.826 3.979 20 0 EHADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000193012012 1132478443 /nfs/dbraw/zinc/47/84/43/1132478443.db2.gz PSLFBXDZDHNYGT-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000193012012 1132478447 /nfs/dbraw/zinc/47/84/47/1132478447.db2.gz PSLFBXDZDHNYGT-UHFFFAOYSA-N 1 2 339.370 3.699 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000193644707 1132482521 /nfs/dbraw/zinc/48/25/21/1132482521.db2.gz CUMYACMIYQPVFN-INIZCTEOSA-N 1 2 339.361 3.875 20 0 EHADLO CC(C)[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000193644707 1132482528 /nfs/dbraw/zinc/48/25/28/1132482528.db2.gz CUMYACMIYQPVFN-INIZCTEOSA-N 1 2 339.361 3.875 20 0 EHADLO c1ccc(-c2cncc(Nc3ccc(N4CCOCC4)[nH+]c3)c2)cc1 ZINC001174975525 1132509592 /nfs/dbraw/zinc/50/95/92/1132509592.db2.gz XVYOEOVZVCQOEG-UHFFFAOYSA-N 1 2 332.407 3.724 20 0 EHADLO c1cc([NH+]2CCCCC2)ccc1Nc1ccc(N2CCOCC2)nc1 ZINC001174976185 1132509761 /nfs/dbraw/zinc/50/97/61/1132509761.db2.gz MXKJEMUZPZOVKY-UHFFFAOYSA-N 1 2 338.455 3.652 20 0 EHADLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(F)c1F ZINC001175021620 1132531585 /nfs/dbraw/zinc/53/15/85/1132531585.db2.gz WHMCDEPLZDOXND-TXEJJXNPSA-N 1 2 349.381 3.726 20 0 EHADLO O[C@H]1CCN(c2ccc(Nc3cc(F)cc(C(F)(F)F)c3)c[nH+]2)C1 ZINC001175061608 1132538998 /nfs/dbraw/zinc/53/89/98/1132538998.db2.gz PPUYCNFDYHNWRU-AWEZNQCLSA-N 1 2 341.308 3.554 20 0 EHADLO COc1cc(C)c(N(c2[nH+]cccc2N)[C@H]2CC[C@H](O)CC2)cc1C ZINC001175110398 1132555903 /nfs/dbraw/zinc/55/59/03/1132555903.db2.gz SZYGWPFCMVSNND-WKILWMFISA-N 1 2 341.455 3.731 20 0 EHADLO O=C(c1ccccc1)N1CCC[C@@H](Nc2[nH+]cccc2-n2cccc2)C1 ZINC001168891992 1132588930 /nfs/dbraw/zinc/58/89/30/1132588930.db2.gz GVVYEYDOCSCAIT-GOSISDBHSA-N 1 2 346.434 3.589 20 0 EHADLO Ic1ccn2cc[nH+]c2c1NCCC1CCC1 ZINC001168888628 1132589434 /nfs/dbraw/zinc/58/94/34/1132589434.db2.gz JWXNIVVMJIWOJX-UHFFFAOYSA-N 1 2 341.196 3.541 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)C2CCC(C(F)(F)F)CC2)c1C ZINC000766547466 1132607392 /nfs/dbraw/zinc/60/73/92/1132607392.db2.gz MRCYIMANWIVJHC-UHFFFAOYSA-N 1 2 344.377 3.692 20 0 EHADLO COc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C(F)(F)F ZINC001175347334 1132628842 /nfs/dbraw/zinc/62/88/42/1132628842.db2.gz JNKIYWBFSXIBGW-UHFFFAOYSA-N 1 2 338.333 3.848 20 0 EHADLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001169002886 1132629218 /nfs/dbraw/zinc/62/92/18/1132629218.db2.gz DUSGUWWVPQGXFJ-QGZVFWFLSA-N 1 2 349.471 3.676 20 0 EHADLO CC(C)[S@@](=O)c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169004627 1132630551 /nfs/dbraw/zinc/63/05/51/1132630551.db2.gz PECJZODVENAFSN-HSZRJFAPSA-N 1 2 327.453 3.505 20 0 EHADLO COC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC001175350432 1132646142 /nfs/dbraw/zinc/64/61/42/1132646142.db2.gz XTVNGHLPILBDJL-UHFFFAOYSA-N 1 2 331.803 3.865 20 0 EHADLO COC(=O)[C@@H]1CCc2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc21 ZINC001175351873 1132646165 /nfs/dbraw/zinc/64/61/65/1132646165.db2.gz DBHSLASZPXQUBI-GOSISDBHSA-N 1 2 337.423 3.628 20 0 EHADLO Oc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC001175352738 1132646951 /nfs/dbraw/zinc/64/69/51/1132646951.db2.gz OLNVWBMNHIYUBJ-UHFFFAOYSA-N 1 2 334.217 3.894 20 0 EHADLO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001169068114 1132649634 /nfs/dbraw/zinc/64/96/34/1132649634.db2.gz LFVUDADFBWQAQD-GHTZIAJQSA-N 1 2 341.451 3.523 20 0 EHADLO CC(C)COc1cc(NCc2cc(F)cc3c2OCOC3)cc[nH+]1 ZINC001169098492 1132654227 /nfs/dbraw/zinc/65/42/27/1132654227.db2.gz AYGAQEWTMSYHHA-UHFFFAOYSA-N 1 2 332.375 3.734 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001175462358 1132673580 /nfs/dbraw/zinc/67/35/80/1132673580.db2.gz QIWAFFVTYUHKTB-QGZVFWFLSA-N 1 2 340.492 3.906 20 0 EHADLO C[C@H](CCSc1ccccc1)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001175462358 1132673584 /nfs/dbraw/zinc/67/35/84/1132673584.db2.gz QIWAFFVTYUHKTB-QGZVFWFLSA-N 1 2 340.492 3.906 20 0 EHADLO O=C(C[N@H+]1CCC[C@@](F)(c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC001175492680 1132682223 /nfs/dbraw/zinc/68/22/23/1132682223.db2.gz QLPGAASAQDTHIS-NRFANRHFSA-N 1 2 344.474 3.881 20 0 EHADLO O=C(C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC001175492680 1132682227 /nfs/dbraw/zinc/68/22/27/1132682227.db2.gz QLPGAASAQDTHIS-NRFANRHFSA-N 1 2 344.474 3.881 20 0 EHADLO Cc1cc(NCc2cc(C)c(Br)cn2)[nH+]c2cc[nH]c21 ZINC001169201126 1132689982 /nfs/dbraw/zinc/68/99/82/1132689982.db2.gz BXOGCFIPULKZAE-UHFFFAOYSA-N 1 2 331.217 3.949 20 0 EHADLO Cn1cc2c(cccc2Nc2ccc3[nH+]cc(Br)n3c2)n1 ZINC001175589136 1132705536 /nfs/dbraw/zinc/70/55/36/1132705536.db2.gz OLIPIYORYCOFLR-UHFFFAOYSA-N 1 2 342.200 3.727 20 0 EHADLO CSc1ncc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001175644718 1132721387 /nfs/dbraw/zinc/72/13/87/1132721387.db2.gz XXDGADRZQBERNU-UHFFFAOYSA-N 1 2 333.417 3.684 20 0 EHADLO Cc1nc(Nc2ccc(Cl)c(O)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001212589540 1132730790 /nfs/dbraw/zinc/73/07/90/1132730790.db2.gz QUZFLDCIZYJCTJ-GHMZBOCLSA-N 1 2 348.834 3.501 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2ccc3c(c2)CN(C2CC2)C3=O)c[nH+]1 ZINC001175713405 1132740866 /nfs/dbraw/zinc/74/08/66/1132740866.db2.gz GVCXXJRJJHLZAB-UHFFFAOYSA-N 1 2 348.328 3.544 20 0 EHADLO Nc1cc(C(F)(F)F)c(Nc2cccc3c2CN(C2CC2)C3=O)c[nH+]1 ZINC001175714173 1132741884 /nfs/dbraw/zinc/74/18/84/1132741884.db2.gz RLSDIMPOPHKUDU-UHFFFAOYSA-N 1 2 348.328 3.544 20 0 EHADLO COc1cc(F)c(C(C)C)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001175828667 1132769896 /nfs/dbraw/zinc/76/98/96/1132769896.db2.gz JLEUHRDTFQVARD-UHFFFAOYSA-N 1 2 345.418 3.933 20 0 EHADLO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507819 1132774042 /nfs/dbraw/zinc/77/40/42/1132774042.db2.gz SGZUIBNKEQBYNO-ROUUACIJSA-N 1 2 325.399 3.543 20 0 EHADLO CO[C@@H](C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CCCC1 ZINC001169507819 1132774047 /nfs/dbraw/zinc/77/40/47/1132774047.db2.gz SGZUIBNKEQBYNO-ROUUACIJSA-N 1 2 325.399 3.543 20 0 EHADLO CCOC(=O)C1(CNc2cc3c4c(c2)CCC[NH+]4CCC3)CCC1 ZINC001169561578 1132785981 /nfs/dbraw/zinc/78/59/81/1132785981.db2.gz SNYJZTAEKXEPIV-UHFFFAOYSA-N 1 2 328.456 3.531 20 0 EHADLO CCOC(=O)C1(C[NH2+]c2cc3c4c(c2)CCCN4CCC3)CCC1 ZINC001169561578 1132785989 /nfs/dbraw/zinc/78/59/89/1132785989.db2.gz SNYJZTAEKXEPIV-UHFFFAOYSA-N 1 2 328.456 3.531 20 0 EHADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001175870341 1132789038 /nfs/dbraw/zinc/78/90/38/1132789038.db2.gz FKXUYQDTPJRSQN-IINYFYTJSA-N 1 2 337.769 3.890 20 0 EHADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001175870341 1132789045 /nfs/dbraw/zinc/78/90/45/1132789045.db2.gz FKXUYQDTPJRSQN-IINYFYTJSA-N 1 2 337.769 3.890 20 0 EHADLO CN(C)C(=O)c1ccc(F)c(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001176047881 1132835705 /nfs/dbraw/zinc/83/57/05/1132835705.db2.gz RZJHJDOSAISEHE-UHFFFAOYSA-N 1 2 338.386 3.516 20 0 EHADLO Cc1cc(Cl)ncc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000766802247 1132839397 /nfs/dbraw/zinc/83/93/97/1132839397.db2.gz QWKUJAFMYSCSBL-UHFFFAOYSA-N 1 2 326.787 3.541 20 0 EHADLO CCOc1cc(Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc(C)[nH+]1 ZINC001176150689 1132848455 /nfs/dbraw/zinc/84/84/55/1132848455.db2.gz KUQRFSBTBNUWMW-UHFFFAOYSA-N 1 2 333.819 3.888 20 0 EHADLO COc1cc[nH+]cc1Nc1cc(F)c(Br)cc1OC ZINC001176123514 1132853092 /nfs/dbraw/zinc/85/30/92/1132853092.db2.gz AIWYUYQAQRVKNL-UHFFFAOYSA-N 1 2 327.153 3.744 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)NCc2ccco2)cc1C ZINC001176124650 1132853190 /nfs/dbraw/zinc/85/31/90/1132853190.db2.gz SZWIGBVUJLBTKQ-UHFFFAOYSA-N 1 2 337.379 3.665 20 0 EHADLO COc1cc[nH+]cc1Nc1cccc(CCNC(=O)OC(C)(C)C)c1 ZINC001176122784 1132853219 /nfs/dbraw/zinc/85/32/19/1132853219.db2.gz IBXOUBOGEMMDNH-UHFFFAOYSA-N 1 2 343.427 3.901 20 0 EHADLO COc1cc[nH+]cc1Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC001176121558 1132853508 /nfs/dbraw/zinc/85/35/08/1132853508.db2.gz XPMZZXUODBVBBE-UHFFFAOYSA-N 1 2 347.418 3.806 20 0 EHADLO COC(=O)c1cc(Cl)c(Nc2c[nH+]ccc2OC)c(Cl)c1 ZINC001176125254 1132854678 /nfs/dbraw/zinc/85/46/78/1132854678.db2.gz XKBMFHTZRMYLAZ-UHFFFAOYSA-N 1 2 327.167 3.927 20 0 EHADLO Cc1csc(CCC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001176182544 1132858790 /nfs/dbraw/zinc/85/87/90/1132858790.db2.gz QYZJXDOLMYYYLA-UHFFFAOYSA-N 1 2 339.464 3.833 20 0 EHADLO CCNc1nc(C[NH2+][C@H](C)c2ccc(Br)cn2)cs1 ZINC001169879133 1132878777 /nfs/dbraw/zinc/87/87/77/1132878777.db2.gz GNRORRRMMQOYMP-SECBINFHSA-N 1 2 341.278 3.583 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N(C1CC1)C1CCCCC1 ZINC000766899074 1132906563 /nfs/dbraw/zinc/90/65/63/1132906563.db2.gz KCGZQYSSXZWEAK-UHFFFAOYSA-N 1 2 338.455 3.879 20 0 EHADLO Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c(C)[nH+]1 ZINC001176403128 1132931751 /nfs/dbraw/zinc/93/17/51/1132931751.db2.gz FIBMPHBXHCDYBP-UHFFFAOYSA-N 1 2 344.358 3.864 20 0 EHADLO CCN(CC)C(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1F ZINC001176513816 1132954068 /nfs/dbraw/zinc/95/40/68/1132954068.db2.gz KCQRJUSJDCTIKP-UHFFFAOYSA-N 1 2 330.407 3.512 20 0 EHADLO COc1ccc(-c2ccccn2)nc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743802 1132991047 /nfs/dbraw/zinc/99/10/47/1132991047.db2.gz NBJKHLVPLRQPDH-UHFFFAOYSA-N 1 2 347.422 3.891 20 0 EHADLO CCC1(CC)C[N@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CCS1 ZINC000767479684 1133009120 /nfs/dbraw/zinc/00/91/20/1133009120.db2.gz OWHASAUPUOTIQZ-CYBMUJFWSA-N 1 2 340.558 3.600 20 0 EHADLO CCC1(CC)C[N@@H+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CCS1 ZINC000767479684 1133009126 /nfs/dbraw/zinc/00/91/26/1133009126.db2.gz OWHASAUPUOTIQZ-CYBMUJFWSA-N 1 2 340.558 3.600 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 ZINC000767553636 1133014145 /nfs/dbraw/zinc/01/41/45/1133014145.db2.gz CENHOMXIESKCRW-LBPRGKRZSA-N 1 2 338.662 3.983 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 ZINC000767553636 1133014149 /nfs/dbraw/zinc/01/41/49/1133014149.db2.gz CENHOMXIESKCRW-LBPRGKRZSA-N 1 2 338.662 3.983 20 0 EHADLO Cc1ccccc1C(C)(C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974664 1133017084 /nfs/dbraw/zinc/01/70/84/1133017084.db2.gz ZSZDKEYFZVVRBO-KRWDZBQOSA-N 1 2 337.467 3.658 20 0 EHADLO Cc1ccnc2cc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)ccc12 ZINC001176967776 1133017563 /nfs/dbraw/zinc/01/75/63/1133017563.db2.gz WGZLUXBEOHQALE-MRXNPFEDSA-N 1 2 346.434 3.793 20 0 EHADLO O=C(Nc1ccc(F)c(C2CC2)c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967697 1133017713 /nfs/dbraw/zinc/01/77/13/1133017713.db2.gz UKJUVMHMCJZLRN-HNNXBMFYSA-N 1 2 339.414 3.953 20 0 EHADLO CCOc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966222 1133017875 /nfs/dbraw/zinc/01/78/75/1133017875.db2.gz YMJDHXYKBNETJK-INIZCTEOSA-N 1 2 339.439 3.644 20 0 EHADLO CC(C)[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC001177013158 1133021797 /nfs/dbraw/zinc/02/17/97/1133021797.db2.gz IUXNSFJLRQOKEU-VQTJNVASSA-N 1 2 340.442 3.738 20 0 EHADLO CN(CC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc[nH+]1 ZINC001177412300 1133063420 /nfs/dbraw/zinc/06/34/20/1133063420.db2.gz OBTSDVZFTOQWAY-UHFFFAOYSA-N 1 2 343.736 3.829 20 0 EHADLO CCOc1ccc(OCCSCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000767870871 1133065566 /nfs/dbraw/zinc/06/55/66/1133065566.db2.gz VSOUOMSGEZFUSL-UHFFFAOYSA-N 1 2 332.469 3.859 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nn1C ZINC000767902676 1133070277 /nfs/dbraw/zinc/07/02/77/1133070277.db2.gz RHLVYGOUJMSRKE-LJQANCHMSA-N 1 2 341.480 3.526 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nn1C ZINC000767902676 1133070283 /nfs/dbraw/zinc/07/02/83/1133070283.db2.gz RHLVYGOUJMSRKE-LJQANCHMSA-N 1 2 341.480 3.526 20 0 EHADLO CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767938720 1133073107 /nfs/dbraw/zinc/07/31/07/1133073107.db2.gz OAWILTDSFSBSNY-VQIMIIECSA-N 1 2 340.471 3.983 20 0 EHADLO CC1(c2ccccc2)CC[NH+](Cn2ccc(Br)n2)CC1 ZINC000767985657 1133081988 /nfs/dbraw/zinc/08/19/88/1133081988.db2.gz ZOEZGTIVBHWWEC-UHFFFAOYSA-N 1 2 334.261 3.657 20 0 EHADLO FC(F)SCc1ccc(CN2CC[NH+](Cc3ccco3)CC2)o1 ZINC000768214456 1133113376 /nfs/dbraw/zinc/11/33/76/1133113376.db2.gz MIVHMGLBFZEZDF-UHFFFAOYSA-N 1 2 342.411 3.646 20 0 EHADLO C[C@H](C(=O)Nc1ccccc1-c1ccc(Cl)cn1)n1cc[nH+]c1 ZINC001177926156 1133113531 /nfs/dbraw/zinc/11/35/31/1133113531.db2.gz FAKWOCQAANYOEW-GFCCVEGCSA-N 1 2 326.787 3.798 20 0 EHADLO COc1cccc2c(C[NH2+]Cc3n[nH]cc3Br)cccc12 ZINC001177920953 1133113774 /nfs/dbraw/zinc/11/37/74/1133113774.db2.gz ZPJUYEBVYPAIKN-UHFFFAOYSA-N 1 2 346.228 3.624 20 0 EHADLO C[C@H](C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1)n1cc[nH+]c1 ZINC001177922485 1133113921 /nfs/dbraw/zinc/11/39/21/1133113921.db2.gz LTTDNTPWDROMJG-SNVBAGLBSA-N 1 2 334.301 3.650 20 0 EHADLO CC[N@H+](CCOC)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000768251414 1133117326 /nfs/dbraw/zinc/11/73/26/1133117326.db2.gz FNMVSFIGJHJCIP-UHFFFAOYSA-N 1 2 339.842 3.501 20 0 EHADLO CC[N@@H+](CCOC)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000768251414 1133117328 /nfs/dbraw/zinc/11/73/28/1133117328.db2.gz FNMVSFIGJHJCIP-UHFFFAOYSA-N 1 2 339.842 3.501 20 0 EHADLO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccccc1Cl ZINC001178347304 1133158150 /nfs/dbraw/zinc/15/81/50/1133158150.db2.gz SYMAZASWDWZESF-OAHLLOKOSA-N 1 2 341.213 3.839 20 0 EHADLO CCc1ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC001178615194 1133186321 /nfs/dbraw/zinc/18/63/21/1133186321.db2.gz SWSJLNUEKRRIGL-OKILXGFUSA-N 1 2 331.485 3.931 20 0 EHADLO CCc1[nH]c(CNC(=O)c2c(C)onc2-c2ccccc2Cl)c[nH+]1 ZINC001178662645 1133188945 /nfs/dbraw/zinc/18/89/45/1133188945.db2.gz UOTYLSXVHFESIG-UHFFFAOYSA-N 1 2 344.802 3.519 20 0 EHADLO CCc1[nH]cc(CNC(=O)c2c(C)onc2-c2ccccc2Cl)[nH+]1 ZINC001178662645 1133188947 /nfs/dbraw/zinc/18/89/47/1133188947.db2.gz UOTYLSXVHFESIG-UHFFFAOYSA-N 1 2 344.802 3.519 20 0 EHADLO Cc1ccc(Br)c(C[NH2+]Cc2cn3cccc(F)c3n2)c1 ZINC001178966613 1133217794 /nfs/dbraw/zinc/21/77/94/1133217794.db2.gz HTPXGIWUWWJFIV-UHFFFAOYSA-N 1 2 348.219 3.834 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179092244 1133227425 /nfs/dbraw/zinc/22/74/25/1133227425.db2.gz KEBQXFGAAVKNBP-UHFFFAOYSA-N 1 2 342.374 3.566 20 0 EHADLO Cc1oc(-c2ccccc2F)nc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179092244 1133227428 /nfs/dbraw/zinc/22/74/28/1133227428.db2.gz KEBQXFGAAVKNBP-UHFFFAOYSA-N 1 2 342.374 3.566 20 0 EHADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cscc2Cl)CC1 ZINC000769224830 1133246032 /nfs/dbraw/zinc/24/60/32/1133246032.db2.gz BZIKDDYSEUJCRE-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cscc2Cl)CC1 ZINC000769224830 1133246037 /nfs/dbraw/zinc/24/60/37/1133246037.db2.gz BZIKDDYSEUJCRE-UHFFFAOYSA-N 1 2 330.881 3.702 20 0 EHADLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001179898505 1133294532 /nfs/dbraw/zinc/29/45/32/1133294532.db2.gz ORQDMVVWQBERQB-UHFFFAOYSA-N 1 2 338.426 3.661 20 0 EHADLO COc1ccc[nH+]c1N[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769537484 1133311309 /nfs/dbraw/zinc/31/13/09/1133311309.db2.gz KJESYWCDOOORKZ-KBPBESRZSA-N 1 2 335.448 3.680 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H](F)c1ccccc1 ZINC000769558167 1133314999 /nfs/dbraw/zinc/31/49/99/1133314999.db2.gz AJGYHKFNFLMTNH-OAHLLOKOSA-N 1 2 333.432 3.778 20 0 EHADLO COc1ccccc1N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000070463109 1133346407 /nfs/dbraw/zinc/34/64/07/1133346407.db2.gz YZQGBBBIMVLXCT-UHFFFAOYSA-N 1 2 333.435 3.878 20 0 EHADLO COc1cc(F)cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC001180271929 1133354144 /nfs/dbraw/zinc/35/41/44/1133354144.db2.gz VBZJDMZJEQVTQC-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1cc(F)cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC001180271929 1133354150 /nfs/dbraw/zinc/35/41/50/1133354150.db2.gz VBZJDMZJEQVTQC-UHFFFAOYSA-N 1 2 336.794 3.558 20 0 EHADLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C)cc2F)CC1 ZINC001180423460 1133366873 /nfs/dbraw/zinc/36/68/73/1133366873.db2.gz YTWZPACYRBVMLK-UHFFFAOYSA-N 1 2 346.421 3.600 20 0 EHADLO Cc1ccc([C@H](O)CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000769928231 1133368404 /nfs/dbraw/zinc/36/84/04/1133368404.db2.gz KHUQBMZNHBAPSK-DYESRHJHSA-N 1 2 342.458 3.546 20 0 EHADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1OC)n2C ZINC000769936760 1133369824 /nfs/dbraw/zinc/36/98/24/1133369824.db2.gz IKACOQOEYRWIRE-UHFFFAOYSA-N 1 2 345.830 3.534 20 0 EHADLO Cn1cc[nH+]c1[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000770027374 1133379701 /nfs/dbraw/zinc/37/97/01/1133379701.db2.gz OLEYNTGXMRFAJG-GFCCVEGCSA-N 1 2 325.243 3.502 20 0 EHADLO Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180522062 1133381435 /nfs/dbraw/zinc/38/14/35/1133381435.db2.gz GKJVODDSZYLEEO-INIZCTEOSA-N 1 2 335.407 3.646 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3nc4ccccc4o3)C2=O)cc1 ZINC000770177466 1133394109 /nfs/dbraw/zinc/39/41/09/1133394109.db2.gz PXSAFDSHMQCVJT-SFHVURJKSA-N 1 2 349.434 3.764 20 0 EHADLO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3nc4ccccc4o3)C2=O)cc1 ZINC000770177466 1133394112 /nfs/dbraw/zinc/39/41/12/1133394112.db2.gz PXSAFDSHMQCVJT-SFHVURJKSA-N 1 2 349.434 3.764 20 0 EHADLO Cc1cc(C)cc(C2=CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC000770247656 1133405707 /nfs/dbraw/zinc/40/57/07/1133405707.db2.gz ZPOPIVKNULRMBZ-UHFFFAOYSA-N 1 2 331.419 3.881 20 0 EHADLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000770302497 1133408598 /nfs/dbraw/zinc/40/85/98/1133408598.db2.gz GDQJZIAXXCVMMO-BBRMVZONSA-N 1 2 337.510 3.697 20 0 EHADLO CCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000770302497 1133408602 /nfs/dbraw/zinc/40/86/02/1133408602.db2.gz GDQJZIAXXCVMMO-BBRMVZONSA-N 1 2 337.510 3.697 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352520 1133420741 /nfs/dbraw/zinc/42/07/41/1133420741.db2.gz ONHARUMLYQZAMG-VXGBXAGGSA-N 1 2 332.275 3.506 20 0 EHADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)nc(Cl)n2C)C12CCC2 ZINC000770352520 1133420744 /nfs/dbraw/zinc/42/07/44/1133420744.db2.gz ONHARUMLYQZAMG-VXGBXAGGSA-N 1 2 332.275 3.506 20 0 EHADLO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc2[nH+]ccn21 ZINC000770415392 1133426195 /nfs/dbraw/zinc/42/61/95/1133426195.db2.gz BVKQMPGPLRAAHI-UHFFFAOYSA-N 1 2 340.814 3.840 20 0 EHADLO Fc1c(Br)cccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC001181090665 1133449328 /nfs/dbraw/zinc/44/93/28/1133449328.db2.gz ZFSRWSLBPBJDHC-AWEZNQCLSA-N 1 2 342.252 3.979 20 0 EHADLO Fc1c(Br)cccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC001181090665 1133449331 /nfs/dbraw/zinc/44/93/31/1133449331.db2.gz ZFSRWSLBPBJDHC-AWEZNQCLSA-N 1 2 342.252 3.979 20 0 EHADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(C(F)F)n1 ZINC000770654348 1133460809 /nfs/dbraw/zinc/46/08/09/1133460809.db2.gz RKTVMLLCRKDOHW-AWEZNQCLSA-N 1 2 327.325 3.973 20 0 EHADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(C(F)F)n1 ZINC000770654348 1133460811 /nfs/dbraw/zinc/46/08/11/1133460811.db2.gz RKTVMLLCRKDOHW-AWEZNQCLSA-N 1 2 327.325 3.973 20 0 EHADLO Cc1onc(-c2ccccc2)c1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925555 1133485277 /nfs/dbraw/zinc/48/52/77/1133485277.db2.gz MAXHJZPBYGKXNY-UHFFFAOYSA-N 1 2 333.347 3.655 20 0 EHADLO Cc1ccc(OCCCC(=O)OCc2cccc3[nH+]ccn32)cc1C ZINC000770931685 1133487052 /nfs/dbraw/zinc/48/70/52/1133487052.db2.gz VKPLILMTSOHTOC-UHFFFAOYSA-N 1 2 338.407 3.854 20 0 EHADLO Cc1[nH]c(-c2cccc(NC(=O)CCC(=O)c3ccccn3)c2)[nH+]c1C ZINC000771267247 1133533975 /nfs/dbraw/zinc/53/39/75/1133533975.db2.gz RRELBSKUSZGWLK-UHFFFAOYSA-N 1 2 348.406 3.690 20 0 EHADLO Clc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc2n1 ZINC000771309925 1133537690 /nfs/dbraw/zinc/53/76/90/1133537690.db2.gz KPGRMCPNBYIJQW-CYBMUJFWSA-N 1 2 326.831 3.991 20 0 EHADLO Clc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc2n1 ZINC000771309925 1133537691 /nfs/dbraw/zinc/53/76/91/1133537691.db2.gz KPGRMCPNBYIJQW-CYBMUJFWSA-N 1 2 326.831 3.991 20 0 EHADLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001182172202 1133576107 /nfs/dbraw/zinc/57/61/07/1133576107.db2.gz KLXOUBFMJXIEHL-HNNXBMFYSA-N 1 2 348.535 3.597 20 0 EHADLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001182172202 1133576110 /nfs/dbraw/zinc/57/61/10/1133576110.db2.gz KLXOUBFMJXIEHL-HNNXBMFYSA-N 1 2 348.535 3.597 20 0 EHADLO CC[N@@H+](Cc1ccc(Cl)cc1)CN1Cc2ccc(F)cc2C1=O ZINC000771623536 1133578709 /nfs/dbraw/zinc/57/87/09/1133578709.db2.gz QAQAXUQCUCKLFS-UHFFFAOYSA-N 1 2 332.806 3.915 20 0 EHADLO CC[N@H+](Cc1ccc(Cl)cc1)CN1Cc2ccc(F)cc2C1=O ZINC000771623536 1133578715 /nfs/dbraw/zinc/57/87/15/1133578715.db2.gz QAQAXUQCUCKLFS-UHFFFAOYSA-N 1 2 332.806 3.915 20 0 EHADLO COc1cccc(C2([NH2+]C/C(Cl)=C\Cl)CCOCC2)c1F ZINC000773989990 1133586256 /nfs/dbraw/zinc/58/62/56/1133586256.db2.gz GWMCUZITVZQDDM-PKNBQFBNSA-N 1 2 334.218 3.749 20 0 EHADLO CC[NH+](CC)[C@@H](C(=O)NCc1cccc(F)n1)c1ccccc1Cl ZINC001182222954 1133598846 /nfs/dbraw/zinc/59/88/46/1133598846.db2.gz GUUYDOINQDKYMG-QGZVFWFLSA-N 1 2 349.837 3.573 20 0 EHADLO O=C(NCC(F)(F)F)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182243882 1133599566 /nfs/dbraw/zinc/59/95/66/1133599566.db2.gz KKVVNVGIYHUQAA-CQSZACIVSA-N 1 2 348.796 3.936 20 0 EHADLO CCC(C)(C)NC(=S)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000774176550 1133635734 /nfs/dbraw/zinc/63/57/34/1133635734.db2.gz MZUDMJFEWYQIFC-AWEZNQCLSA-N 1 2 335.517 3.555 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001170039047 1133654703 /nfs/dbraw/zinc/65/47/03/1133654703.db2.gz KRXUGJDCZMFTMT-OAHLLOKOSA-N 1 2 339.867 3.568 20 0 EHADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC001170039047 1133654707 /nfs/dbraw/zinc/65/47/07/1133654707.db2.gz KRXUGJDCZMFTMT-OAHLLOKOSA-N 1 2 339.867 3.568 20 0 EHADLO CC[C@@H]1C[N@H+](Cc2ccnn2CCc2ccccc2)[C@H](CC)CO1 ZINC001182755045 1133723877 /nfs/dbraw/zinc/72/38/77/1133723877.db2.gz PPDZVHSATPFWHB-UYAOXDASSA-N 1 2 327.472 3.515 20 0 EHADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CCc2ccccc2)[C@H](CC)CO1 ZINC001182755045 1133723883 /nfs/dbraw/zinc/72/38/83/1133723883.db2.gz PPDZVHSATPFWHB-UYAOXDASSA-N 1 2 327.472 3.515 20 0 EHADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](F)c1ccccc1 ZINC000785610454 1133731008 /nfs/dbraw/zinc/73/10/08/1133731008.db2.gz SYJMDPNAJASVMG-SFHVURJKSA-N 1 2 346.833 3.525 20 0 EHADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](F)c1ccccc1 ZINC000785610454 1133731013 /nfs/dbraw/zinc/73/10/13/1133731013.db2.gz SYJMDPNAJASVMG-SFHVURJKSA-N 1 2 346.833 3.525 20 0 EHADLO O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cccc2[nH+]ccn21 ZINC000785693458 1133737786 /nfs/dbraw/zinc/73/77/86/1133737786.db2.gz LSGCKWLPZPVBKY-UHFFFAOYSA-N 1 2 337.345 3.719 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000785734585 1133743153 /nfs/dbraw/zinc/74/31/53/1133743153.db2.gz TZLYQNONDAAXGU-PHIMTYICSA-N 1 2 344.238 3.592 20 0 EHADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000785734585 1133743158 /nfs/dbraw/zinc/74/31/58/1133743158.db2.gz TZLYQNONDAAXGU-PHIMTYICSA-N 1 2 344.238 3.592 20 0 EHADLO Cc1ccccc1CC1C[NH+](Cc2ccc(Br)nc2)C1 ZINC001182991939 1133754485 /nfs/dbraw/zinc/75/44/85/1133754485.db2.gz YIVLBJGYJIIKFM-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000252 1133756280 /nfs/dbraw/zinc/75/62/80/1133756280.db2.gz LYLVKJRHMXKKEZ-CZUORRHYSA-N 1 2 331.378 3.935 20 0 EHADLO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(C)c1 ZINC001183000252 1133756286 /nfs/dbraw/zinc/75/62/86/1133756286.db2.gz LYLVKJRHMXKKEZ-CZUORRHYSA-N 1 2 331.378 3.935 20 0 EHADLO CC[C@H](OC1CCCC1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000785932322 1133774164 /nfs/dbraw/zinc/77/41/64/1133774164.db2.gz PLSXZVVGRBIZDK-SFHVURJKSA-N 1 2 328.412 3.653 20 0 EHADLO Clc1ccnc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC001183363445 1133794612 /nfs/dbraw/zinc/79/46/12/1133794612.db2.gz KJCPKEWBUJALRZ-ZDUSSCGKSA-N 1 2 345.270 3.548 20 0 EHADLO C[NH+](C)[C@@H](C(=O)Nc1nccc2ccncc21)c1ccc(Cl)cc1 ZINC001183367307 1133800179 /nfs/dbraw/zinc/80/01/79/1133800179.db2.gz DBOUXPOHSYESRF-MRXNPFEDSA-N 1 2 340.814 3.525 20 0 EHADLO Fc1cc2c(cc1F)C[N@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC001183526603 1133814805 /nfs/dbraw/zinc/81/48/05/1133814805.db2.gz PDKUOFOWUVLIBZ-GOSISDBHSA-N 1 2 345.389 3.691 20 0 EHADLO Fc1cc2c(cc1F)C[N@@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC001183526603 1133814809 /nfs/dbraw/zinc/81/48/09/1133814809.db2.gz PDKUOFOWUVLIBZ-GOSISDBHSA-N 1 2 345.389 3.691 20 0 EHADLO Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183750107 1133852645 /nfs/dbraw/zinc/85/26/45/1133852645.db2.gz DKAMJUCUIWOACV-KRWDZBQOSA-N 1 2 346.377 3.809 20 0 EHADLO Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183750107 1133852651 /nfs/dbraw/zinc/85/26/51/1133852651.db2.gz DKAMJUCUIWOACV-KRWDZBQOSA-N 1 2 346.377 3.809 20 0 EHADLO CC(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756545 1133856024 /nfs/dbraw/zinc/85/60/24/1133856024.db2.gz IZOOEFDGABJMKK-WOJBJXKFSA-N 1 2 337.467 3.560 20 0 EHADLO CC(C)C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccn1 ZINC001183756545 1133856030 /nfs/dbraw/zinc/85/60/30/1133856030.db2.gz IZOOEFDGABJMKK-WOJBJXKFSA-N 1 2 337.467 3.560 20 0 EHADLO CCCCOc1c(NC(=O)CCc2ccc(N)[nH+]c2)ccc(F)c1F ZINC001183934878 1133873977 /nfs/dbraw/zinc/87/39/77/1133873977.db2.gz NHAPPMBESVCLEG-UHFFFAOYSA-N 1 2 349.381 3.692 20 0 EHADLO Nc1ccc(CCC(=O)NCc2cccc(-c3cccs3)c2)c[nH+]1 ZINC001183935936 1133874183 /nfs/dbraw/zinc/87/41/83/1133874183.db2.gz MTWCZKASHMESEZ-UHFFFAOYSA-N 1 2 337.448 3.641 20 0 EHADLO CCc1cc(Br)cc(NC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC001183935329 1133874353 /nfs/dbraw/zinc/87/43/53/1133874353.db2.gz SWZJMYZYWLDXON-UHFFFAOYSA-N 1 2 348.244 3.560 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1csnc1OC ZINC001183990871 1133887080 /nfs/dbraw/zinc/88/70/80/1133887080.db2.gz ACTZNQUVZWTEBS-ZROIWOOFSA-N 1 2 332.469 3.833 20 0 EHADLO COCc1ccccc1/C=C(/C)C[N@@H+](C)Cc1csnc1OC ZINC001183990871 1133887090 /nfs/dbraw/zinc/88/70/90/1133887090.db2.gz ACTZNQUVZWTEBS-ZROIWOOFSA-N 1 2 332.469 3.833 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001184177705 1133901773 /nfs/dbraw/zinc/90/17/73/1133901773.db2.gz JXBOIOFEGANFAA-BETUJISGSA-N 1 2 346.441 3.538 20 0 EHADLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001184177705 1133901775 /nfs/dbraw/zinc/90/17/75/1133901775.db2.gz JXBOIOFEGANFAA-BETUJISGSA-N 1 2 346.441 3.538 20 0 EHADLO Cc1nc(F)ccc1C[NH+]1CCN(c2cccc(Cl)c2C)CC1 ZINC001184240775 1133914215 /nfs/dbraw/zinc/91/42/15/1133914215.db2.gz ZGIWDCRZAGXSRB-UHFFFAOYSA-N 1 2 333.838 3.813 20 0 EHADLO Cc1nc(F)ccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000787060470 1133952153 /nfs/dbraw/zinc/95/21/53/1133952153.db2.gz NSTZSCDBSXLNGU-UHFFFAOYSA-N 1 2 333.838 3.500 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccc(F)nc2C)C3)cc1 ZINC000787291298 1133984773 /nfs/dbraw/zinc/98/47/73/1133984773.db2.gz WFCAANPEGIIBOX-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccc(F)nc2C)C3)cc1 ZINC000787291298 1133984778 /nfs/dbraw/zinc/98/47/78/1133984778.db2.gz WFCAANPEGIIBOX-UHFFFAOYSA-N 1 2 336.414 3.582 20 0 EHADLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000746671732 1133990671 /nfs/dbraw/zinc/99/06/71/1133990671.db2.gz NUCCBCROIXELTC-MRXNPFEDSA-N 1 2 335.451 3.802 20 0 EHADLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000746671732 1133990679 /nfs/dbraw/zinc/99/06/79/1133990679.db2.gz NUCCBCROIXELTC-MRXNPFEDSA-N 1 2 335.451 3.802 20 0 EHADLO Cc1cc(N2CCN(C(=O)O[C@@H](C)CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001184884677 1133996805 /nfs/dbraw/zinc/99/68/05/1133996805.db2.gz ZVFXNKCBBDTSFW-INIZCTEOSA-N 1 2 348.491 3.602 20 0 EHADLO COc1ccc(C(N)=[NH+]OCc2ccc(C)cc2Cl)cc1OC ZINC000774812670 1134024155 /nfs/dbraw/zinc/02/41/55/1134024155.db2.gz HQHXCFWKMATUKK-UHFFFAOYSA-N 1 2 334.803 3.712 20 0 EHADLO Cc1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc(C2CCC2)[nH+]1 ZINC001185222797 1134052775 /nfs/dbraw/zinc/05/27/75/1134052775.db2.gz UPRJWLJGQFZMIB-QGZVFWFLSA-N 1 2 345.393 3.909 20 0 EHADLO Cc1ccc(F)c(NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001185249428 1134057613 /nfs/dbraw/zinc/05/76/13/1134057613.db2.gz NEXUOCDVBRJRCO-UHFFFAOYSA-N 1 2 338.386 3.984 20 0 EHADLO COc1ccc2c(c1)OCC[C@H]2Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001185519246 1134102097 /nfs/dbraw/zinc/10/20/97/1134102097.db2.gz WAMLFVJGBYYVPS-MRXNPFEDSA-N 1 2 325.412 3.997 20 0 EHADLO C/C=C(/CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855493 1134188458 /nfs/dbraw/zinc/18/84/58/1134188458.db2.gz QGKNMUWPPKPPKP-LELDJUSMSA-N 1 2 338.854 3.916 20 0 EHADLO C/C=C(/CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000788855493 1134188459 /nfs/dbraw/zinc/18/84/59/1134188459.db2.gz QGKNMUWPPKPPKP-LELDJUSMSA-N 1 2 338.854 3.916 20 0 EHADLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170113971 1134312690 /nfs/dbraw/zinc/31/26/90/1134312690.db2.gz YMDDZIUJDLALJH-WBIUFABUSA-N 1 2 330.255 3.856 20 0 EHADLO C[C@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC000789740378 1134330993 /nfs/dbraw/zinc/33/09/93/1134330993.db2.gz FVUHXCDQDZBIKU-AWEZNQCLSA-N 1 2 329.444 3.609 20 0 EHADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC000789740378 1134331000 /nfs/dbraw/zinc/33/10/00/1134331000.db2.gz FVUHXCDQDZBIKU-AWEZNQCLSA-N 1 2 329.444 3.609 20 0 EHADLO Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc[nH+]1 ZINC001187437142 1134340035 /nfs/dbraw/zinc/34/00/35/1134340035.db2.gz CZEXQEHFAOIYQQ-AWEZNQCLSA-N 1 2 334.464 3.623 20 0 EHADLO Cc1ccc(NC(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001187982842 1134408292 /nfs/dbraw/zinc/40/82/92/1134408292.db2.gz QZSIZWRZFTXPNS-UHFFFAOYSA-N 1 2 338.386 3.984 20 0 EHADLO CSc1ccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001188103446 1134428640 /nfs/dbraw/zinc/42/86/40/1134428640.db2.gz BQDSKTWWYDCHGM-MRXNPFEDSA-N 1 2 343.452 3.879 20 0 EHADLO Cc1csc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000790520580 1134429830 /nfs/dbraw/zinc/42/98/30/1134429830.db2.gz JGFVHPDKWSGSQD-UHFFFAOYSA-N 1 2 331.828 3.826 20 0 EHADLO C[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)c1nnnn1C1CC1 ZINC000790756059 1134458498 /nfs/dbraw/zinc/45/84/98/1134458498.db2.gz QABHRNJFDUADGH-RNCFNFMXSA-N 1 2 335.864 3.549 20 0 EHADLO COc1ccc(C[N@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)cc1 ZINC000780428897 1134518470 /nfs/dbraw/zinc/51/84/70/1134518470.db2.gz WAPPIXYGXBDEOC-HXUWFJFHSA-N 1 2 330.472 3.513 20 0 EHADLO COc1ccc(C[N@@H+](C)CN2C[C@](C)(C3CCCC3)CC2=O)cc1 ZINC000780428897 1134518476 /nfs/dbraw/zinc/51/84/76/1134518476.db2.gz WAPPIXYGXBDEOC-HXUWFJFHSA-N 1 2 330.472 3.513 20 0 EHADLO C/C(=C\C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1CC1 ZINC000791269339 1134524479 /nfs/dbraw/zinc/52/44/79/1134524479.db2.gz AUEOVJPALQNNTL-BYIUCRAPSA-N 1 2 327.472 3.787 20 0 EHADLO CC(=CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1CC1 ZINC000791269339 1134524488 /nfs/dbraw/zinc/52/44/88/1134524488.db2.gz AUEOVJPALQNNTL-BYIUCRAPSA-N 1 2 327.472 3.787 20 0 EHADLO O=C(C=Cc1ccco1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272274 1134525427 /nfs/dbraw/zinc/52/54/27/1134525427.db2.gz LNBFFJWNSWUYBM-KLQCNHIUSA-N 1 2 339.439 3.737 20 0 EHADLO O=C(C=Cc1ccco1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272274 1134525429 /nfs/dbraw/zinc/52/54/29/1134525429.db2.gz LNBFFJWNSWUYBM-KLQCNHIUSA-N 1 2 339.439 3.737 20 0 EHADLO COc1c(C)c[nH+]c(Cn2c(=O)occ2-c2ccc(Cl)cc2)c1C ZINC001189078517 1134542871 /nfs/dbraw/zinc/54/28/71/1134542871.db2.gz MLFSOPYCFOQEHD-UHFFFAOYSA-N 1 2 344.798 3.830 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1c(F)cccc1F ZINC000791412596 1134547477 /nfs/dbraw/zinc/54/74/77/1134547477.db2.gz PBLNIYXYGLVVDJ-UHFFFAOYSA-N 1 2 342.345 3.745 20 0 EHADLO COc1ccc(Cl)c(COC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000791450783 1134553791 /nfs/dbraw/zinc/55/37/91/1134553791.db2.gz PFOWDLZAAQFXLB-KRWDZBQOSA-N 1 2 333.815 3.695 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C(C)(C)c1cccnc1 ZINC000791429586 1134557121 /nfs/dbraw/zinc/55/71/21/1134557121.db2.gz AYEGHGZXGNCHFD-UHFFFAOYSA-N 1 2 335.407 3.597 20 0 EHADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000791462696 1134560374 /nfs/dbraw/zinc/56/03/74/1134560374.db2.gz MLUIUJQSPJAMQE-IBGZPJMESA-N 1 2 346.386 3.594 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)c1 ZINC000791554599 1134572984 /nfs/dbraw/zinc/57/29/84/1134572984.db2.gz SVWVGQNWOYAPHK-GRDNDAEWSA-N 1 2 327.428 3.605 20 0 EHADLO Cc1cccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)o2)c1 ZINC000791554599 1134572989 /nfs/dbraw/zinc/57/29/89/1134572989.db2.gz SVWVGQNWOYAPHK-GRDNDAEWSA-N 1 2 327.428 3.605 20 0 EHADLO CCCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)s1 ZINC001189510191 1134593946 /nfs/dbraw/zinc/59/39/46/1134593946.db2.gz OSRAXEFUNHJEPR-OAHLLOKOSA-N 1 2 342.455 3.646 20 0 EHADLO CCOc1c(Cl)cccc1CC(=O)OCc1cccc2[nH+]ccn21 ZINC000791835528 1134617409 /nfs/dbraw/zinc/61/74/09/1134617409.db2.gz HQZLDIJCOUFMCH-UHFFFAOYSA-N 1 2 344.798 3.672 20 0 EHADLO NC(=O)c1ccc(Cl)nc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203712136 1134647342 /nfs/dbraw/zinc/64/73/42/1134647342.db2.gz GATWWCUWUXCVGM-UHFFFAOYSA-N 1 2 330.819 3.568 20 0 EHADLO C[C@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccc(Br)cc1 ZINC000792040926 1134648998 /nfs/dbraw/zinc/64/89/98/1134648998.db2.gz LPOOWCBKQYNNBT-LLVKDONJSA-N 1 2 349.228 3.663 20 0 EHADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000792129447 1134654893 /nfs/dbraw/zinc/65/48/93/1134654893.db2.gz LZIGZMLBOSJFLS-UHFFFAOYSA-N 1 2 340.423 3.705 20 0 EHADLO Cc1c(C)c(NC(=O)c2ccccc2-n2cc[nH+]c2)c(C)c(C)c1N ZINC001190099789 1134656053 /nfs/dbraw/zinc/65/60/53/1134656053.db2.gz NDUBOJRQUUQVBN-UHFFFAOYSA-N 1 2 334.423 3.940 20 0 EHADLO COc1ccc(Cl)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000792287313 1134673359 /nfs/dbraw/zinc/67/33/59/1134673359.db2.gz VIOGAABWTFYSGW-UHFFFAOYSA-N 1 2 335.753 3.692 20 0 EHADLO CCc1ccc([C@@H]2C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360208 1134681374 /nfs/dbraw/zinc/68/13/74/1134681374.db2.gz DWFCJEAXMXMDGR-QAPCUYQASA-N 1 2 348.487 3.536 20 0 EHADLO CCc1ccc([C@@H]2C[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CCO2)cc1 ZINC000792360208 1134681378 /nfs/dbraw/zinc/68/13/78/1134681378.db2.gz DWFCJEAXMXMDGR-QAPCUYQASA-N 1 2 348.487 3.536 20 0 EHADLO CCC[C@@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000121381265 1134700731 /nfs/dbraw/zinc/70/07/31/1134700731.db2.gz KGIBXSRVWNZSAX-MRXNPFEDSA-N 1 2 345.516 3.521 20 0 EHADLO CCC[C@@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000121381265 1134700735 /nfs/dbraw/zinc/70/07/35/1134700735.db2.gz KGIBXSRVWNZSAX-MRXNPFEDSA-N 1 2 345.516 3.521 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001190581920 1134722501 /nfs/dbraw/zinc/72/25/01/1134722501.db2.gz JLZZBBGFRFXSKO-CYBMUJFWSA-N 1 2 331.412 3.609 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001190581920 1134722505 /nfs/dbraw/zinc/72/25/05/1134722505.db2.gz JLZZBBGFRFXSKO-CYBMUJFWSA-N 1 2 331.412 3.609 20 0 EHADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC001170265046 1134727727 /nfs/dbraw/zinc/72/77/27/1134727727.db2.gz DQEYDQRTQLPIIF-INIZCTEOSA-N 1 2 342.870 3.729 20 0 EHADLO O=C(Nc1cc[nH+]c2c1CCC2)Nc1ccccc1OC(F)(F)F ZINC001190654234 1134733549 /nfs/dbraw/zinc/73/35/49/1134733549.db2.gz VLIAOOPFZKPUKL-UHFFFAOYSA-N 1 2 337.301 3.535 20 0 EHADLO CCOC(=O)CCc1ccc[nH+]c1NC1CC(C)(C)OC(C)(C)C1 ZINC001170361919 1134756900 /nfs/dbraw/zinc/75/69/00/1134756900.db2.gz XIGQFHHJUOXMGV-UHFFFAOYSA-N 1 2 334.460 3.725 20 0 EHADLO Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000792707999 1134782971 /nfs/dbraw/zinc/78/29/71/1134782971.db2.gz QRUGBRLRTCNZCL-KXBFYZLASA-N 1 2 326.415 3.743 20 0 EHADLO Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000792707999 1134782979 /nfs/dbraw/zinc/78/29/79/1134782979.db2.gz QRUGBRLRTCNZCL-KXBFYZLASA-N 1 2 326.415 3.743 20 0 EHADLO COC(=O)[C@H](c1ccccc1Cl)[NH+]1CCc2ccccc2CC1 ZINC001191048184 1134791215 /nfs/dbraw/zinc/79/12/15/1134791215.db2.gz NEOZQYMFZNHJQS-SFHVURJKSA-N 1 2 329.827 3.655 20 0 EHADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(Cl)cc1 ZINC000792865392 1134801936 /nfs/dbraw/zinc/80/19/36/1134801936.db2.gz QNKKVPUVQGQTKV-UHFFFAOYSA-N 1 2 336.725 3.882 20 0 EHADLO CCc1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000792838152 1134804533 /nfs/dbraw/zinc/80/45/33/1134804533.db2.gz CJOUGCDZFKXKEN-RXVVDRJESA-N 1 2 343.442 3.713 20 0 EHADLO CCc1cccc(F)c1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000792838152 1134804541 /nfs/dbraw/zinc/80/45/41/1134804541.db2.gz CJOUGCDZFKXKEN-RXVVDRJESA-N 1 2 343.442 3.713 20 0 EHADLO Cc1ccc(CCC[NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)cn1 ZINC000792874590 1134809630 /nfs/dbraw/zinc/80/96/30/1134809630.db2.gz VBIGNMIDVSEMNK-QGZVFWFLSA-N 1 2 325.456 3.660 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001191243523 1134835786 /nfs/dbraw/zinc/83/57/86/1134835786.db2.gz DDNVPWLZTPOJAQ-WFASDCNBSA-N 1 2 346.368 3.619 20 0 EHADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001191243523 1134835789 /nfs/dbraw/zinc/83/57/89/1134835789.db2.gz DDNVPWLZTPOJAQ-WFASDCNBSA-N 1 2 346.368 3.619 20 0 EHADLO O=C(NCc1c[nH+]cn1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC001191285407 1134841182 /nfs/dbraw/zinc/84/11/82/1134841182.db2.gz NJOQZYCOIIOTEW-UHFFFAOYSA-N 1 2 344.434 3.593 20 0 EHADLO CSc1ccccc1C[N@H+](C)Cc1cc(Br)nn1C ZINC000793233445 1134879874 /nfs/dbraw/zinc/87/98/74/1134879874.db2.gz TWHXSZALPBCGRN-UHFFFAOYSA-N 1 2 340.290 3.537 20 0 EHADLO CSc1ccccc1C[N@@H+](C)Cc1cc(Br)nn1C ZINC000793233445 1134879881 /nfs/dbraw/zinc/87/98/81/1134879881.db2.gz TWHXSZALPBCGRN-UHFFFAOYSA-N 1 2 340.290 3.537 20 0 EHADLO C[C@H](CC(=O)OCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000793250916 1134888744 /nfs/dbraw/zinc/88/87/44/1134888744.db2.gz RFNOPZUBTFGCGZ-GFCCVEGCSA-N 1 2 340.345 3.718 20 0 EHADLO C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCCc1c[nH+]cn1C ZINC000793256888 1134891545 /nfs/dbraw/zinc/89/15/45/1134891545.db2.gz FGUVDRBWDWYCSI-DHZHZOJOSA-N 1 2 339.222 3.916 20 0 EHADLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1OC(F)F ZINC000747112749 1134905849 /nfs/dbraw/zinc/90/58/49/1134905849.db2.gz RQBLAEJOAOBIBQ-DHZHZOJOSA-N 1 2 332.350 3.764 20 0 EHADLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001191730591 1134913938 /nfs/dbraw/zinc/91/39/38/1134913938.db2.gz CYLVBYNQJGMOAE-CQSZACIVSA-N 1 2 348.270 3.690 20 0 EHADLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001191730591 1134913942 /nfs/dbraw/zinc/91/39/42/1134913942.db2.gz CYLVBYNQJGMOAE-CQSZACIVSA-N 1 2 348.270 3.690 20 0 EHADLO Cc1ccc(Cl)c(NC(=O)NCc2c[nH+]cn2C2CCOCC2)c1 ZINC001191732792 1134914822 /nfs/dbraw/zinc/91/48/22/1134914822.db2.gz RLOBDGPKPOTQBI-UHFFFAOYSA-N 1 2 348.834 3.518 20 0 EHADLO COc1cc(NCc2c[nH+]c3ccc(C)cn23)c(OC)c(C)c1OC ZINC000793390506 1134921872 /nfs/dbraw/zinc/92/18/72/1134921872.db2.gz JMYBYAYWPMYKFD-UHFFFAOYSA-N 1 2 341.411 3.589 20 0 EHADLO C[C@@]12CC[N@H+](CN3c4cccc5cccc(c45)C3=O)C[C@@H]1C2(F)F ZINC000793525322 1134946918 /nfs/dbraw/zinc/94/69/18/1134946918.db2.gz IENVCHYPYIFGLG-MAUKXSAKSA-N 1 2 328.362 3.735 20 0 EHADLO C[C@@]12CC[N@@H+](CN3c4cccc5cccc(c45)C3=O)C[C@@H]1C2(F)F ZINC000793525322 1134946921 /nfs/dbraw/zinc/94/69/21/1134946921.db2.gz IENVCHYPYIFGLG-MAUKXSAKSA-N 1 2 328.362 3.735 20 0 EHADLO Cc1cccc(C[N@@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1C ZINC000793543801 1134953170 /nfs/dbraw/zinc/95/31/70/1134953170.db2.gz RFTFPDNPQJHVNJ-ZDUSSCGKSA-N 1 2 330.497 3.741 20 0 EHADLO Cc1cccc(C[N@H+](C)Cn2c(=O)sc3c2CC[C@H](C)C3)c1C ZINC000793543801 1134953178 /nfs/dbraw/zinc/95/31/78/1134953178.db2.gz RFTFPDNPQJHVNJ-ZDUSSCGKSA-N 1 2 330.497 3.741 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](F)C2)cc1 ZINC001170434315 1134960351 /nfs/dbraw/zinc/96/03/51/1134960351.db2.gz GQFXBZPXGUVUJY-ROUUACIJSA-N 1 2 332.463 3.691 20 0 EHADLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](F)C2)cc1 ZINC001170434315 1134960356 /nfs/dbraw/zinc/96/03/56/1134960356.db2.gz GQFXBZPXGUVUJY-ROUUACIJSA-N 1 2 332.463 3.691 20 0 EHADLO CSC[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccc(C)cc3)nc2=S)C1 ZINC000793797665 1134990980 /nfs/dbraw/zinc/99/09/80/1134990980.db2.gz QVCBUELJLVQKOA-AWEZNQCLSA-N 1 2 348.541 3.949 20 0 EHADLO CSC[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc(C)cc3)nc2=S)C1 ZINC000793797665 1134990986 /nfs/dbraw/zinc/99/09/86/1134990986.db2.gz QVCBUELJLVQKOA-AWEZNQCLSA-N 1 2 348.541 3.949 20 0 EHADLO Cc1cc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001192383077 1135009706 /nfs/dbraw/zinc/00/97/06/1135009706.db2.gz AHMQKBLSRPCXGX-MRXNPFEDSA-N 1 2 329.375 3.604 20 0 EHADLO FCCn1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC001192414519 1135011140 /nfs/dbraw/zinc/01/11/40/1135011140.db2.gz YYJCRXQNOKFKOU-SFHVURJKSA-N 1 2 344.821 3.780 20 0 EHADLO COc1cccc([C@H](C)NC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001192881920 1135074400 /nfs/dbraw/zinc/07/44/00/1135074400.db2.gz XTOOBTYGEJBFRA-AWEZNQCLSA-N 1 2 336.395 3.764 20 0 EHADLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000775569622 1135096515 /nfs/dbraw/zinc/09/65/15/1135096515.db2.gz OBZYRRDFPURMKY-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000775569622 1135096520 /nfs/dbraw/zinc/09/65/20/1135096520.db2.gz OBZYRRDFPURMKY-INIZCTEOSA-N 1 2 340.423 3.528 20 0 EHADLO CCCCCNC(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001193357311 1135129704 /nfs/dbraw/zinc/12/97/04/1135129704.db2.gz RAZNRRPSHZOOJZ-UHFFFAOYSA-N 1 2 334.851 3.574 20 0 EHADLO CC(C)(C)OC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001193448902 1135136219 /nfs/dbraw/zinc/13/62/19/1135136219.db2.gz XCICNGBQABMMTC-UHFFFAOYSA-N 1 2 331.378 3.958 20 0 EHADLO O=C(Nc1ccc(Cl)nc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747202918 1135145138 /nfs/dbraw/zinc/14/51/38/1135145138.db2.gz FSBFYGIVBSSWAJ-MRXNPFEDSA-N 1 2 347.821 3.867 20 0 EHADLO O=C(Nc1ccc(Cl)nc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747202918 1135145140 /nfs/dbraw/zinc/14/51/40/1135145140.db2.gz FSBFYGIVBSSWAJ-MRXNPFEDSA-N 1 2 347.821 3.867 20 0 EHADLO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(F)F)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460085 1135154856 /nfs/dbraw/zinc/15/48/56/1135154856.db2.gz QBHBCXBTYKCHBQ-YIYPIFLZSA-N 1 2 332.435 3.940 20 0 EHADLO CCCC[C@@H](CC)COC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001193944140 1135212124 /nfs/dbraw/zinc/21/21/24/1135212124.db2.gz IEMADTDGNJCFKQ-QGZVFWFLSA-N 1 2 333.476 3.947 20 0 EHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(Cl)cc1 ZINC001194067712 1135225014 /nfs/dbraw/zinc/22/50/14/1135225014.db2.gz IXUAPXQRCWXMNE-UHFFFAOYSA-N 1 2 327.771 3.814 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001194123390 1135229163 /nfs/dbraw/zinc/22/91/63/1135229163.db2.gz GOWFXDXJHVTMTF-HNNXBMFYSA-N 1 2 342.842 3.968 20 0 EHADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001194123390 1135229164 /nfs/dbraw/zinc/22/91/64/1135229164.db2.gz GOWFXDXJHVTMTF-HNNXBMFYSA-N 1 2 342.842 3.968 20 0 EHADLO CCCCCCOC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194202875 1135242310 /nfs/dbraw/zinc/24/23/10/1135242310.db2.gz AUWCCLGDKKCMAL-IEBWSBKVSA-N 1 2 348.487 3.582 20 0 EHADLO CCCCCCOC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194202875 1135242314 /nfs/dbraw/zinc/24/23/14/1135242314.db2.gz AUWCCLGDKKCMAL-IEBWSBKVSA-N 1 2 348.487 3.582 20 0 EHADLO Clc1cc(Cl)c2nc(C[N@@H+]3CCSC[C@@H]3C3CC3)cn2c1 ZINC001194519675 1135278237 /nfs/dbraw/zinc/27/82/37/1135278237.db2.gz RUMJFUFTVHVSEH-CQSZACIVSA-N 1 2 342.295 3.969 20 0 EHADLO Clc1cc(Cl)c2nc(C[N@H+]3CCSC[C@@H]3C3CC3)cn2c1 ZINC001194519675 1135278240 /nfs/dbraw/zinc/27/82/40/1135278240.db2.gz RUMJFUFTVHVSEH-CQSZACIVSA-N 1 2 342.295 3.969 20 0 EHADLO Fc1cccc(-c2nnc(C[N@@H+]3CCC=C(c4ccccn4)C3)o2)c1 ZINC001194571014 1135287249 /nfs/dbraw/zinc/28/72/49/1135287249.db2.gz QFPRIDOSXILIBT-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO Fc1cccc(-c2nnc(C[N@H+]3CCC=C(c4ccccn4)C3)o2)c1 ZINC001194571014 1135287255 /nfs/dbraw/zinc/28/72/55/1135287255.db2.gz QFPRIDOSXILIBT-UHFFFAOYSA-N 1 2 336.370 3.560 20 0 EHADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccnc1OCc1ccccc1 ZINC001194602615 1135291631 /nfs/dbraw/zinc/29/16/31/1135291631.db2.gz XPSBFNYNMHBNSL-UHFFFAOYSA-N 1 2 344.374 3.561 20 0 EHADLO CC[C@@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000805615605 1135298048 /nfs/dbraw/zinc/29/80/48/1135298048.db2.gz GKOAGMJLVWFOOY-OAHLLOKOSA-N 1 2 337.847 3.719 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000805825690 1135336758 /nfs/dbraw/zinc/33/67/58/1135336758.db2.gz CDZRJBGNGQTXNZ-INIZCTEOSA-N 1 2 345.468 3.521 20 0 EHADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000805825690 1135336764 /nfs/dbraw/zinc/33/67/64/1135336764.db2.gz CDZRJBGNGQTXNZ-INIZCTEOSA-N 1 2 345.468 3.521 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000805826564 1135337144 /nfs/dbraw/zinc/33/71/44/1135337144.db2.gz CUANXZMBFXIMND-OAHLLOKOSA-N 1 2 337.489 3.557 20 0 EHADLO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000805826564 1135337150 /nfs/dbraw/zinc/33/71/50/1135337150.db2.gz CUANXZMBFXIMND-OAHLLOKOSA-N 1 2 337.489 3.557 20 0 EHADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3CC(C)(C)C3)CC2)cs1 ZINC000805989839 1135360666 /nfs/dbraw/zinc/36/06/66/1135360666.db2.gz JOKOVURLUBXLAL-UHFFFAOYSA-N 1 2 336.501 3.643 20 0 EHADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000806167104 1135406741 /nfs/dbraw/zinc/40/67/41/1135406741.db2.gz KRJKNQDMIJXZKC-CYBMUJFWSA-N 1 2 326.375 3.597 20 0 EHADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001195345037 1135414080 /nfs/dbraw/zinc/41/40/80/1135414080.db2.gz BAWQDMFEGCOXHG-UHFFFAOYSA-N 1 2 343.390 3.574 20 0 EHADLO COC[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1cccc(OC)c1 ZINC001195902320 1135481522 /nfs/dbraw/zinc/48/15/22/1135481522.db2.gz LIVLVBCVZDRZMC-OAHLLOKOSA-N 1 2 341.238 3.874 20 0 EHADLO C[C@@H](Cc1nc([C@@H]2CCSc3ccccc32)no1)n1cc[nH+]c1 ZINC000867144326 1135495541 /nfs/dbraw/zinc/49/55/41/1135495541.db2.gz VHPLZGATCOVGAH-GXTWGEPZSA-N 1 2 326.425 3.698 20 0 EHADLO CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC000807198102 1135525271 /nfs/dbraw/zinc/52/52/71/1135525271.db2.gz DAXIWQQPGMLUHQ-INIZCTEOSA-N 1 2 344.434 3.745 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@H]3CC34CCC4)n2)C1 ZINC000867180656 1135576590 /nfs/dbraw/zinc/57/65/90/1135576590.db2.gz HWKRWIDZFOUMJP-SJORKVTESA-N 1 2 339.439 3.609 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@H]3CC34CCC4)n2)C1 ZINC000867180656 1135576595 /nfs/dbraw/zinc/57/65/95/1135576595.db2.gz HWKRWIDZFOUMJP-SJORKVTESA-N 1 2 339.439 3.609 20 0 EHADLO CCc1ccc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000775725173 1135579610 /nfs/dbraw/zinc/57/96/10/1135579610.db2.gz PWHNZEMYNVTSGB-UHFFFAOYSA-N 1 2 327.497 3.516 20 0 EHADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C[C@H](C)C3CC3)n2)C1 ZINC000867183445 1135583772 /nfs/dbraw/zinc/58/37/72/1135583772.db2.gz GBTHJUKEWXGFHP-MAUKXSAKSA-N 1 2 341.455 3.540 20 0 EHADLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C[C@H](C)C3CC3)n2)C1 ZINC000867183445 1135583775 /nfs/dbraw/zinc/58/37/75/1135583775.db2.gz GBTHJUKEWXGFHP-MAUKXSAKSA-N 1 2 341.455 3.540 20 0 EHADLO CCCCCC[C@@](CC)([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)C(=O)OCC ZINC001170538568 1135594470 /nfs/dbraw/zinc/59/44/70/1135594470.db2.gz JNNDIKSNJKQETG-JTDSTZFVSA-N 1 2 341.492 3.600 20 0 EHADLO FC(F)(F)[C@@H]1CC=C(Nc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001196768539 1135604184 /nfs/dbraw/zinc/60/41/84/1135604184.db2.gz RUZZTAKEPQMZGK-GFCCVEGCSA-N 1 2 327.350 3.576 20 0 EHADLO C[C@H]1c2ccsc2CC[N@H+]1CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808137278 1135622591 /nfs/dbraw/zinc/62/25/91/1135622591.db2.gz YDBQLVJGOAGHQL-SUMWQHHRSA-N 1 2 341.480 3.629 20 0 EHADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808137278 1135622593 /nfs/dbraw/zinc/62/25/93/1135622593.db2.gz YDBQLVJGOAGHQL-SUMWQHHRSA-N 1 2 341.480 3.629 20 0 EHADLO C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccccc1 ZINC000808166413 1135629789 /nfs/dbraw/zinc/62/97/89/1135629789.db2.gz YPCWLJPDXMDGMI-LZQZEXGQSA-N 1 2 335.451 3.642 20 0 EHADLO C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccccc1 ZINC000808166413 1135629790 /nfs/dbraw/zinc/62/97/90/1135629790.db2.gz YPCWLJPDXMDGMI-LZQZEXGQSA-N 1 2 335.451 3.642 20 0 EHADLO CC(C)(C)n1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC001196940122 1135631285 /nfs/dbraw/zinc/63/12/85/1135631285.db2.gz FYJKLSOPTUIPIW-UHFFFAOYSA-N 1 2 343.818 3.730 20 0 EHADLO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001196992270 1135637949 /nfs/dbraw/zinc/63/79/49/1135637949.db2.gz NOQFBOWAKBMWKE-LBPRGKRZSA-N 1 2 332.669 3.695 20 0 EHADLO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001196992270 1135637951 /nfs/dbraw/zinc/63/79/51/1135637951.db2.gz NOQFBOWAKBMWKE-LBPRGKRZSA-N 1 2 332.669 3.695 20 0 EHADLO COc1ccccc1[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012874 1135640222 /nfs/dbraw/zinc/64/02/22/1135640222.db2.gz JJBPQKXNTWOBQZ-AZUAARDMSA-N 1 2 327.399 3.895 20 0 EHADLO COc1ccccc1[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC001197012874 1135640224 /nfs/dbraw/zinc/64/02/24/1135640224.db2.gz JJBPQKXNTWOBQZ-AZUAARDMSA-N 1 2 327.399 3.895 20 0 EHADLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001197229311 1135662111 /nfs/dbraw/zinc/66/21/11/1135662111.db2.gz DTBSZMJBJZMPLJ-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO COc1ccc([C@@H]2COCC[N@H+]2C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001197229311 1135662114 /nfs/dbraw/zinc/66/21/14/1135662114.db2.gz DTBSZMJBJZMPLJ-GJZGRUSLSA-N 1 2 330.255 3.652 20 0 EHADLO FC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC001197334789 1135680603 /nfs/dbraw/zinc/68/06/03/1135680603.db2.gz AGPUDLVYYDKFIZ-UHFFFAOYSA-N 1 2 329.206 3.508 20 0 EHADLO Cn1c[nH+]cc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001197433245 1135691446 /nfs/dbraw/zinc/69/14/46/1135691446.db2.gz RCNPAMHAUYFJDA-UHFFFAOYSA-N 1 2 348.781 3.579 20 0 EHADLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001197522692 1135698418 /nfs/dbraw/zinc/69/84/18/1135698418.db2.gz AHSITFDDZAUTCK-HXUWFJFHSA-N 1 2 327.447 3.798 20 0 EHADLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cncc(C(F)(F)F)c1 ZINC000808617637 1135700962 /nfs/dbraw/zinc/70/09/62/1135700962.db2.gz HUOWDQWRXIECMN-UHFFFAOYSA-N 1 2 347.296 3.643 20 0 EHADLO Cc1ccc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)c(N(C)C)[nH+]1 ZINC000808618859 1135701622 /nfs/dbraw/zinc/70/16/22/1135701622.db2.gz LYBBIWVRJKSGRL-AWEZNQCLSA-N 1 2 348.450 3.822 20 0 EHADLO O[C@@H](CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000808747617 1135726893 /nfs/dbraw/zinc/72/68/93/1135726893.db2.gz SLWMWFLFHZYRGD-OALUTQOASA-N 1 2 331.843 3.837 20 0 EHADLO O[C@@H](CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000808747617 1135726896 /nfs/dbraw/zinc/72/68/96/1135726896.db2.gz SLWMWFLFHZYRGD-OALUTQOASA-N 1 2 331.843 3.837 20 0 EHADLO CN(c1nc(C(=O)Nc2ccc3[nH+]ccn3c2)cs1)c1ccccc1 ZINC001131516481 1135761035 /nfs/dbraw/zinc/76/10/35/1135761035.db2.gz PTEVRMXUUUVLQI-UHFFFAOYSA-N 1 2 349.419 3.811 20 0 EHADLO CC(C)Cc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000809447862 1135841169 /nfs/dbraw/zinc/84/11/69/1135841169.db2.gz ZZUSNELQYRGQGZ-SJLPKXTDSA-N 1 2 341.455 3.861 20 0 EHADLO CC(C)Cc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000809447862 1135841172 /nfs/dbraw/zinc/84/11/72/1135841172.db2.gz ZZUSNELQYRGQGZ-SJLPKXTDSA-N 1 2 341.455 3.861 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)Cc1cccs1 ZINC000809539154 1135849472 /nfs/dbraw/zinc/84/94/72/1135849472.db2.gz ZYBSOGUKWJJJHZ-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)Cc1cccs1 ZINC000809539154 1135849476 /nfs/dbraw/zinc/84/94/76/1135849476.db2.gz ZYBSOGUKWJJJHZ-UHFFFAOYSA-N 1 2 332.860 3.923 20 0 EHADLO COCc1cnc(C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)s1 ZINC000809702142 1135870771 /nfs/dbraw/zinc/87/07/71/1135870771.db2.gz CNVFSNIITVEWGW-IBGZPJMESA-N 1 2 346.496 3.544 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)c(C)c1 ZINC000809726964 1135872491 /nfs/dbraw/zinc/87/24/91/1135872491.db2.gz ZRNXIEBTJRRJND-OAHLLOKOSA-N 1 2 339.867 3.534 20 0 EHADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)c(C)c1 ZINC000809726964 1135872494 /nfs/dbraw/zinc/87/24/94/1135872494.db2.gz ZRNXIEBTJRRJND-OAHLLOKOSA-N 1 2 339.867 3.534 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000809718480 1135877569 /nfs/dbraw/zinc/87/75/69/1135877569.db2.gz KGYKPMUDFSWCLI-KRWDZBQOSA-N 1 2 347.459 3.575 20 0 EHADLO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000809718480 1135877573 /nfs/dbraw/zinc/87/75/73/1135877573.db2.gz KGYKPMUDFSWCLI-KRWDZBQOSA-N 1 2 347.459 3.575 20 0 EHADLO CC[C@H](CNCc1ccc(SC)o1)[N@@H+]1CCc2ccccc2C1 ZINC001199227801 1135888465 /nfs/dbraw/zinc/88/84/65/1135888465.db2.gz MYNNFNWUMMZYGG-QGZVFWFLSA-N 1 2 330.497 3.928 20 0 EHADLO CC[C@H](CNCc1ccc(SC)o1)[N@H+]1CCc2ccccc2C1 ZINC001199227801 1135888468 /nfs/dbraw/zinc/88/84/68/1135888468.db2.gz MYNNFNWUMMZYGG-QGZVFWFLSA-N 1 2 330.497 3.928 20 0 EHADLO Cc1cc(Oc2ccccc2)ccc1NC(=O)NCc1c[nH+]cn1C ZINC000809877176 1135896890 /nfs/dbraw/zinc/89/68/90/1135896890.db2.gz AYCMYUJCOUHXPJ-UHFFFAOYSA-N 1 2 336.395 3.843 20 0 EHADLO CCc1ncc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)s1 ZINC000775968645 1135906582 /nfs/dbraw/zinc/90/65/82/1135906582.db2.gz LOJFXOANMCVCBL-CHWSQXEVSA-N 1 2 339.505 3.535 20 0 EHADLO CCc1ncc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)s1 ZINC000775968645 1135906584 /nfs/dbraw/zinc/90/65/84/1135906584.db2.gz LOJFXOANMCVCBL-CHWSQXEVSA-N 1 2 339.505 3.535 20 0 EHADLO CC(C)COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cnn(C)n1 ZINC000809972212 1135910457 /nfs/dbraw/zinc/91/04/57/1135910457.db2.gz FSCKNJSHNKMZTE-SFHVURJKSA-N 1 2 330.476 3.727 20 0 EHADLO COC(=O)Nc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001199553876 1135911473 /nfs/dbraw/zinc/91/14/73/1135911473.db2.gz BFXDBXFPVVUTGK-UHFFFAOYSA-N 1 2 328.397 3.724 20 0 EHADLO CC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1nnc2n1CCCCC2 ZINC001199942135 1135940216 /nfs/dbraw/zinc/94/02/16/1135940216.db2.gz QQERSHYDPPATTE-CQSZACIVSA-N 1 2 347.532 3.999 20 0 EHADLO Cc1c[nH+]c2n1CCC21CCN(C(=S)NC2CCCCCC2)CC1 ZINC001199963535 1135941188 /nfs/dbraw/zinc/94/11/88/1135941188.db2.gz PTXWABWIZKQQQK-UHFFFAOYSA-N 1 2 346.544 3.526 20 0 EHADLO S=C(NCc1c[nH+]cn1Cc1ccccc1)NC1CCCCCC1 ZINC001199980356 1135942832 /nfs/dbraw/zinc/94/28/32/1135942832.db2.gz TUPGJEBFBJWOHR-UHFFFAOYSA-N 1 2 342.512 3.618 20 0 EHADLO COc1cc(Cl)ccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000776074997 1135947473 /nfs/dbraw/zinc/94/74/73/1135947473.db2.gz PRBXMDAUMOIULV-UHFFFAOYSA-N 1 2 348.834 3.757 20 0 EHADLO C[C@@H](c1cccc(NC(=O)C2(F)CCCCC2)c1)[NH+]1CCOCC1 ZINC000810351785 1135958832 /nfs/dbraw/zinc/95/88/32/1135958832.db2.gz USALLERZIYUVOE-HNNXBMFYSA-N 1 2 334.435 3.691 20 0 EHADLO CC(C)C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378828 1135960445 /nfs/dbraw/zinc/96/04/45/1135960445.db2.gz IFYYGVGXRAPKNV-BPLDGKMQSA-N 1 2 348.384 3.769 20 0 EHADLO CC(C)C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000810378828 1135960447 /nfs/dbraw/zinc/96/04/47/1135960447.db2.gz IFYYGVGXRAPKNV-BPLDGKMQSA-N 1 2 348.384 3.769 20 0 EHADLO S=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001201103362 1135983401 /nfs/dbraw/zinc/98/34/01/1135983401.db2.gz LIAPJCYHYGBUTJ-MRXNPFEDSA-N 1 2 347.871 3.975 20 0 EHADLO Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000810677946 1135993202 /nfs/dbraw/zinc/99/32/02/1135993202.db2.gz NYNLMXPMODBACR-UHFFFAOYSA-N 1 2 338.382 3.665 20 0 EHADLO CO[C@@H](C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613759 1135996663 /nfs/dbraw/zinc/99/66/63/1135996663.db2.gz CZVOAWCYKODJAP-HOCLYGCPSA-N 1 2 349.368 3.945 20 0 EHADLO CO[C@@H](C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001170613759 1135996665 /nfs/dbraw/zinc/99/66/65/1135996665.db2.gz CZVOAWCYKODJAP-HOCLYGCPSA-N 1 2 349.368 3.945 20 0 EHADLO Cc1ccccc1C1(C(=O)OCCCc2[nH+]ccn2C)CCCC1 ZINC000810702234 1135998265 /nfs/dbraw/zinc/99/82/65/1135998265.db2.gz NVENEYQQONLCFO-UHFFFAOYSA-N 1 2 326.440 3.716 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2csc3ccccc23)c1C ZINC000747670923 1136039579 /nfs/dbraw/zinc/03/95/79/1136039579.db2.gz AQMDAAISUNTKQR-UHFFFAOYSA-N 1 2 326.421 3.852 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(CC(C)C)cc2)c1C ZINC000747672187 1136044703 /nfs/dbraw/zinc/04/47/03/1136044703.db2.gz IFIALOHRCLPPKM-UHFFFAOYSA-N 1 2 326.440 3.836 20 0 EHADLO Clc1ccc2nc(C[NH2+]Cc3ccnc(Cl)c3Cl)cn2c1 ZINC000811473737 1136095791 /nfs/dbraw/zinc/09/57/91/1136095791.db2.gz KJZBHEJJCMPWBQ-UHFFFAOYSA-N 1 2 341.629 3.979 20 0 EHADLO CC(C)c1cnc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 ZINC001202233202 1136118104 /nfs/dbraw/zinc/11/81/04/1136118104.db2.gz ISVDNOPZQYHCQV-ZIAGYGMSSA-N 1 2 346.500 3.887 20 0 EHADLO O=C(NCc1c[nH+]cn1C1CCC1)Nc1cccc(C(F)(F)F)c1 ZINC001202302296 1136125245 /nfs/dbraw/zinc/12/52/45/1136125245.db2.gz JPXFVGLOUFIEPH-UHFFFAOYSA-N 1 2 338.333 3.949 20 0 EHADLO C[N@@H+]1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1(C)C ZINC001132988999 1136128890 /nfs/dbraw/zinc/12/88/90/1136128890.db2.gz VBZXFDXHIPHIBJ-UHFFFAOYSA-N 1 2 340.851 3.860 20 0 EHADLO C[N@H+]1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1(C)C ZINC001132988999 1136128892 /nfs/dbraw/zinc/12/88/92/1136128892.db2.gz VBZXFDXHIPHIBJ-UHFFFAOYSA-N 1 2 340.851 3.860 20 0 EHADLO CC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)CC1 ZINC000811749506 1136129489 /nfs/dbraw/zinc/12/94/89/1136129489.db2.gz VJBHEUPEVATWTQ-SFHVURJKSA-N 1 2 339.483 3.997 20 0 EHADLO CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)CC1 ZINC000811749506 1136129493 /nfs/dbraw/zinc/12/94/93/1136129493.db2.gz VJBHEUPEVATWTQ-SFHVURJKSA-N 1 2 339.483 3.997 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811730313 1136131521 /nfs/dbraw/zinc/13/15/21/1136131521.db2.gz IRFQVFUCAOTLLH-WBVHZDCISA-N 1 2 340.492 3.716 20 0 EHADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811730313 1136131523 /nfs/dbraw/zinc/13/15/23/1136131523.db2.gz IRFQVFUCAOTLLH-WBVHZDCISA-N 1 2 340.492 3.716 20 0 EHADLO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@H](C4CC4)C3)c(=O)cc2C)cc1 ZINC000811776679 1136134371 /nfs/dbraw/zinc/13/43/71/1136134371.db2.gz OTIJGDCWSMLEEM-IBGZPJMESA-N 1 2 337.467 3.607 20 0 EHADLO Cc1ccc(-c2nn(C[N@H+]3CCC[C@H](C4CC4)C3)c(=O)cc2C)cc1 ZINC000811776679 1136134372 /nfs/dbraw/zinc/13/43/72/1136134372.db2.gz OTIJGDCWSMLEEM-IBGZPJMESA-N 1 2 337.467 3.607 20 0 EHADLO FC(F)(F)CCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001202367597 1136135035 /nfs/dbraw/zinc/13/50/35/1136135035.db2.gz APHGDSCZHOUHOX-CYBMUJFWSA-N 1 2 340.311 3.688 20 0 EHADLO FC(F)(F)CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001202367597 1136135038 /nfs/dbraw/zinc/13/50/38/1136135038.db2.gz APHGDSCZHOUHOX-CYBMUJFWSA-N 1 2 340.311 3.688 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](CCCC(F)(F)F)C2)c1 ZINC001202441248 1136144561 /nfs/dbraw/zinc/14/45/61/1136144561.db2.gz AGTISHQJXPHCFB-CQSZACIVSA-N 1 2 349.418 3.612 20 0 EHADLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](CCCC(F)(F)F)C2)c1 ZINC001202441248 1136144564 /nfs/dbraw/zinc/14/45/64/1136144564.db2.gz AGTISHQJXPHCFB-CQSZACIVSA-N 1 2 349.418 3.612 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000811860917 1136148313 /nfs/dbraw/zinc/14/83/13/1136148313.db2.gz PBDDIPVWBIYBIX-INIZCTEOSA-N 1 2 331.460 3.555 20 0 EHADLO C[N@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@@H]1CCOC1 ZINC000106857766 1136154506 /nfs/dbraw/zinc/15/45/06/1136154506.db2.gz TUXQJCOQBVKJRX-SECBINFHSA-N 1 2 326.771 3.568 20 0 EHADLO C[N@@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)[C@@H]1CCOC1 ZINC000106857766 1136154507 /nfs/dbraw/zinc/15/45/07/1136154507.db2.gz TUXQJCOQBVKJRX-SECBINFHSA-N 1 2 326.771 3.568 20 0 EHADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000106898347 1136155468 /nfs/dbraw/zinc/15/54/68/1136155468.db2.gz GIMRSHNKXHVFSJ-SNVBAGLBSA-N 1 2 338.249 3.980 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccoc3C(C)C)CC2)cc1 ZINC001133116574 1136168181 /nfs/dbraw/zinc/16/81/81/1136168181.db2.gz UJIBQGQELGOPKH-UHFFFAOYSA-N 1 2 340.467 3.923 20 0 EHADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000747782884 1136195443 /nfs/dbraw/zinc/19/54/43/1136195443.db2.gz RCHTYZISCUCIAA-LLVKDONJSA-N 1 2 326.318 3.676 20 0 EHADLO COc1ccc(-c2cc(C(=O)OCc3c[nH+]cn3C)sc2C)cc1 ZINC000747783911 1136196729 /nfs/dbraw/zinc/19/67/29/1136196729.db2.gz QOLSGTPECKFKFW-UHFFFAOYSA-N 1 2 342.420 3.823 20 0 EHADLO CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000812421719 1136205421 /nfs/dbraw/zinc/20/54/21/1136205421.db2.gz MJZBSTDWUBSKSO-IAGOWNOFSA-N 1 2 341.455 3.761 20 0 EHADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000747832008 1136279823 /nfs/dbraw/zinc/27/98/23/1136279823.db2.gz LSUATBNREKMUOZ-ILXRZTDVSA-N 1 2 331.485 3.588 20 0 EHADLO Cc1nc(C(C)C)oc1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000813220659 1136304820 /nfs/dbraw/zinc/30/48/20/1136304820.db2.gz WRNHHKKPHRMCDC-UHFFFAOYSA-N 1 2 325.368 3.649 20 0 EHADLO C[C@@H](NCc1coc(-c2cccs2)n1)c1cn2c([nH+]1)CCCC2 ZINC000813324791 1136315781 /nfs/dbraw/zinc/31/57/81/1136315781.db2.gz SEEGTWFNISUBGF-GFCCVEGCSA-N 1 2 328.441 3.787 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(-c4ocnc4C)cc3)ccn12 ZINC001133829892 1136346057 /nfs/dbraw/zinc/34/60/57/1136346057.db2.gz FLHNZXMRFCLJCP-UHFFFAOYSA-N 1 2 332.363 3.858 20 0 EHADLO Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000747859000 1136348575 /nfs/dbraw/zinc/34/85/75/1136348575.db2.gz NVUYQDRJSKOMJO-JLHYYAGUSA-N 1 2 339.420 3.798 20 0 EHADLO CCCS(=O)(=O)CC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170709361 1136349937 /nfs/dbraw/zinc/34/99/37/1136349937.db2.gz CBKLRHZEYURZFV-UHFFFAOYSA-N 1 2 343.492 3.537 20 0 EHADLO CCCS(=O)(=O)CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170709361 1136349940 /nfs/dbraw/zinc/34/99/40/1136349940.db2.gz CBKLRHZEYURZFV-UHFFFAOYSA-N 1 2 343.492 3.537 20 0 EHADLO COc1c(C)c[nH+]c(CNC(=O)NCCCCc2ccccc2)c1C ZINC000747861478 1136350450 /nfs/dbraw/zinc/35/04/50/1136350450.db2.gz QPKOCKODJBBDEN-UHFFFAOYSA-N 1 2 341.455 3.529 20 0 EHADLO CCc1oc(C[NH2+]Cc2ccc(Cl)cc2F)cc1C(=O)OC ZINC000338933798 1136357902 /nfs/dbraw/zinc/35/79/02/1136357902.db2.gz NUABINJVLBTZFN-UHFFFAOYSA-N 1 2 325.767 3.711 20 0 EHADLO CCCCS[C@@H](C)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398983 1136376014 /nfs/dbraw/zinc/37/60/14/1136376014.db2.gz KELDFEGINKEOPC-HNNXBMFYSA-N 1 2 336.501 3.763 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)o1 ZINC000814073974 1136399561 /nfs/dbraw/zinc/39/95/61/1136399561.db2.gz GTTNHBLFHCTJBW-GOSISDBHSA-N 1 2 330.428 3.672 20 0 EHADLO CCCc1nc(C)c(COC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)o1 ZINC000814073974 1136399564 /nfs/dbraw/zinc/39/95/64/1136399564.db2.gz GTTNHBLFHCTJBW-GOSISDBHSA-N 1 2 330.428 3.672 20 0 EHADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)nc1 ZINC000851713868 1136401123 /nfs/dbraw/zinc/40/11/23/1136401123.db2.gz CCPOWMXRPMFHQX-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)nc1 ZINC000851713868 1136401125 /nfs/dbraw/zinc/40/11/25/1136401125.db2.gz CCPOWMXRPMFHQX-HNNXBMFYSA-N 1 2 333.794 3.650 20 0 EHADLO CSc1ccc(OCCOC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000805525886 1136413388 /nfs/dbraw/zinc/41/33/88/1136413388.db2.gz OGQCPCHODPWKCW-SFHVURJKSA-N 1 2 345.464 3.633 20 0 EHADLO CCC(CC)n1nc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C ZINC000776576287 1136438849 /nfs/dbraw/zinc/43/88/49/1136438849.db2.gz IMXHRYILSRPOAZ-KRWDZBQOSA-N 1 2 345.491 3.594 20 0 EHADLO CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)C(=O)OC(C)(C)C ZINC000852305961 1136446715 /nfs/dbraw/zinc/44/67/15/1136446715.db2.gz HUMMBKIUCYLGBE-DZGCQCFKSA-N 1 2 333.428 3.518 20 0 EHADLO CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)C(=O)OC(C)(C)C ZINC000852305961 1136446718 /nfs/dbraw/zinc/44/67/18/1136446718.db2.gz HUMMBKIUCYLGBE-DZGCQCFKSA-N 1 2 333.428 3.518 20 0 EHADLO CC(C)[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1F ZINC000852449340 1136457398 /nfs/dbraw/zinc/45/73/98/1136457398.db2.gz SWOFTMRGFFFBDP-HNNXBMFYSA-N 1 2 336.842 3.822 20 0 EHADLO CC[C@H](C)C[N@H+](C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000111165716 1136517321 /nfs/dbraw/zinc/51/73/21/1136517321.db2.gz HAXBZQIYRKGYCF-ZDUSSCGKSA-N 1 2 338.546 3.962 20 0 EHADLO CC[C@H](C)C[N@@H+](C)Cn1nc(C)n(CCc2cccs2)c1=S ZINC000111165716 1136517324 /nfs/dbraw/zinc/51/73/24/1136517324.db2.gz HAXBZQIYRKGYCF-ZDUSSCGKSA-N 1 2 338.546 3.962 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000853495150 1136537775 /nfs/dbraw/zinc/53/77/75/1136537775.db2.gz RQNJBCAEQQXWFI-CYBMUJFWSA-N 1 2 346.352 3.507 20 0 EHADLO O=C1c2cc(F)c(F)cc2CN1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000853495150 1136537778 /nfs/dbraw/zinc/53/77/78/1136537778.db2.gz RQNJBCAEQQXWFI-CYBMUJFWSA-N 1 2 346.352 3.507 20 0 EHADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)[C@H]3CCCCC[C@H]32)cc1F ZINC000853563096 1136544721 /nfs/dbraw/zinc/54/47/21/1136544721.db2.gz KPYMAVBBMUBOER-RYQLBKOJSA-N 1 2 346.446 3.720 20 0 EHADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)[C@H]3CCCCC[C@H]32)cc1F ZINC000853563096 1136544722 /nfs/dbraw/zinc/54/47/22/1136544722.db2.gz KPYMAVBBMUBOER-RYQLBKOJSA-N 1 2 346.446 3.720 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562621 1136544823 /nfs/dbraw/zinc/54/48/23/1136544823.db2.gz BYMYNLODXMSRHY-PBHICJAKSA-N 1 2 334.435 3.577 20 0 EHADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000853562621 1136544827 /nfs/dbraw/zinc/54/48/27/1136544827.db2.gz BYMYNLODXMSRHY-PBHICJAKSA-N 1 2 334.435 3.577 20 0 EHADLO Fc1ccccc1Nc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(=S)s1 ZINC000853576855 1136545954 /nfs/dbraw/zinc/54/59/54/1136545954.db2.gz GLXLRLPPGQXXHA-QWRGUYRKSA-N 1 2 336.461 3.856 20 0 EHADLO Fc1ccccc1Nc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c(=S)s1 ZINC000853576855 1136545959 /nfs/dbraw/zinc/54/59/59/1136545959.db2.gz GLXLRLPPGQXXHA-QWRGUYRKSA-N 1 2 336.461 3.856 20 0 EHADLO Fc1cccc(Nc2nn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)c1 ZINC000853580922 1136546507 /nfs/dbraw/zinc/54/65/07/1136546507.db2.gz QVGZKGDPPSQCFL-GHMZBOCLSA-N 1 2 336.461 3.856 20 0 EHADLO Fc1cccc(Nc2nn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c(=S)s2)c1 ZINC000853580922 1136546510 /nfs/dbraw/zinc/54/65/10/1136546510.db2.gz QVGZKGDPPSQCFL-GHMZBOCLSA-N 1 2 336.461 3.856 20 0 EHADLO Cc1nn(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c(=O)c2ccccc12 ZINC000853604513 1136548438 /nfs/dbraw/zinc/54/84/38/1136548438.db2.gz FREBAEYEQOGBMP-QGZVFWFLSA-N 1 2 325.456 3.707 20 0 EHADLO Cc1nn(C[N@H+]2CCCC[C@@H]2CC2CCC2)c(=O)c2ccccc12 ZINC000853604513 1136548442 /nfs/dbraw/zinc/54/84/42/1136548442.db2.gz FREBAEYEQOGBMP-QGZVFWFLSA-N 1 2 325.456 3.707 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627126 1136550201 /nfs/dbraw/zinc/55/02/01/1136550201.db2.gz PHKRZYSEIZFMJS-GFCCVEGCSA-N 1 2 334.464 3.693 20 0 EHADLO Cn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627126 1136550203 /nfs/dbraw/zinc/55/02/03/1136550203.db2.gz PHKRZYSEIZFMJS-GFCCVEGCSA-N 1 2 334.464 3.693 20 0 EHADLO O=C(C[NH2+]Cc1cccc(O)c1Cl)Nc1cccc2ccccc21 ZINC000815124312 1136553974 /nfs/dbraw/zinc/55/39/74/1136553974.db2.gz RHPTXUMMOWPYBH-UHFFFAOYSA-N 1 2 340.810 3.927 20 0 EHADLO O=C(c1ccc(CF)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000854344964 1136609554 /nfs/dbraw/zinc/60/95/54/1136609554.db2.gz XVXQWDNJMAGHRG-QGZVFWFLSA-N 1 2 341.430 3.709 20 0 EHADLO C/C(=C/C(C)(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412381 1136614404 /nfs/dbraw/zinc/61/44/04/1136614404.db2.gz ORRQJGVRGSPKTJ-SQFISAMPSA-N 1 2 335.517 3.600 20 0 EHADLO Cc1cc(NC2CCN(CC(F)(F)F)CC2)nc(C(C)(C)C)[nH+]1 ZINC001159389820 1136619897 /nfs/dbraw/zinc/61/98/97/1136619897.db2.gz IGKXXKWMWKPALH-UHFFFAOYSA-N 1 2 330.398 3.521 20 0 EHADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815649809 1136626112 /nfs/dbraw/zinc/62/61/12/1136626112.db2.gz ZOLODEQVDWHUKK-JTQLQIEISA-N 1 2 325.330 3.972 20 0 EHADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854756922 1136642320 /nfs/dbraw/zinc/64/23/20/1136642320.db2.gz LNXIHEPDMZSAEY-HNNXBMFYSA-N 1 2 348.450 3.543 20 0 EHADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854756922 1136642322 /nfs/dbraw/zinc/64/23/22/1136642322.db2.gz LNXIHEPDMZSAEY-HNNXBMFYSA-N 1 2 348.450 3.543 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000112694741 1136647405 /nfs/dbraw/zinc/64/74/05/1136647405.db2.gz UUDDXNFFMKCSQP-LJQANCHMSA-N 1 2 327.472 3.827 20 0 EHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000112694741 1136647407 /nfs/dbraw/zinc/64/74/07/1136647407.db2.gz UUDDXNFFMKCSQP-LJQANCHMSA-N 1 2 327.472 3.827 20 0 EHADLO C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000816223060 1136689125 /nfs/dbraw/zinc/68/91/25/1136689125.db2.gz OCQBZUOUHOPDRY-MDZRGWNJSA-N 1 2 326.440 3.842 20 0 EHADLO Cc1cnc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)o1 ZINC000173291774 1136698315 /nfs/dbraw/zinc/69/83/15/1136698315.db2.gz KJUZHEKAJCHWCC-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO Cc1cnc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)o1 ZINC000173291774 1136698318 /nfs/dbraw/zinc/69/83/18/1136698318.db2.gz KJUZHEKAJCHWCC-UHFFFAOYSA-N 1 2 325.387 3.762 20 0 EHADLO CC(C)C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000776820801 1136710488 /nfs/dbraw/zinc/71/04/88/1136710488.db2.gz GCCOZUCVXIYKFA-ZIAGYGMSSA-N 1 2 331.464 3.587 20 0 EHADLO Cc1ccc(F)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1Cl ZINC001138022716 1136711103 /nfs/dbraw/zinc/71/11/03/1136711103.db2.gz KDHNJSHFZOYOIK-QMTHXVAHSA-N 1 2 339.760 3.923 20 0 EHADLO Cc1ccc(F)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1Cl ZINC001138022716 1136711104 /nfs/dbraw/zinc/71/11/04/1136711104.db2.gz KDHNJSHFZOYOIK-QMTHXVAHSA-N 1 2 339.760 3.923 20 0 EHADLO COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CCOC[C@H]3C)ccc21 ZINC001170829301 1136728580 /nfs/dbraw/zinc/72/85/80/1136728580.db2.gz CRTGHSREDBFZLX-ZBFHGGJFSA-N 1 2 337.423 3.871 20 0 EHADLO COC[C@H]1CC[N@@H+]1Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000816636801 1136742938 /nfs/dbraw/zinc/74/29/38/1136742938.db2.gz IKSVUZXGDSWVRT-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO COC[C@H]1CC[N@H+]1Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000816636801 1136742940 /nfs/dbraw/zinc/74/29/40/1136742940.db2.gz IKSVUZXGDSWVRT-CQSZACIVSA-N 1 2 340.254 3.708 20 0 EHADLO COC[C@@H]1CC[N@@H+]1Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000816637076 1136743187 /nfs/dbraw/zinc/74/31/87/1136743187.db2.gz QZHBUBWZBHTUPX-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO COC[C@@H]1CC[N@H+]1Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000816637076 1136743190 /nfs/dbraw/zinc/74/31/90/1136743190.db2.gz QZHBUBWZBHTUPX-AWEZNQCLSA-N 1 2 340.254 3.708 20 0 EHADLO O=C(Cc1cccc(C2CC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC001135790155 1136772075 /nfs/dbraw/zinc/77/20/75/1136772075.db2.gz OYQVAQSKBGHFDD-UHFFFAOYSA-N 1 2 340.492 3.512 20 0 EHADLO O[C@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C2(CCC2)C1 ZINC000817289652 1136791255 /nfs/dbraw/zinc/79/12/55/1136791255.db2.gz BFODDHHQPMDCGP-NSHDSACASA-N 1 2 334.769 3.633 20 0 EHADLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C2(CCC2)C1 ZINC000817289652 1136791259 /nfs/dbraw/zinc/79/12/59/1136791259.db2.gz BFODDHHQPMDCGP-NSHDSACASA-N 1 2 334.769 3.633 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000817298268 1136794355 /nfs/dbraw/zinc/79/43/55/1136794355.db2.gz JJWKGOANOJGYCM-UHFFFAOYSA-N 1 2 349.862 3.564 20 0 EHADLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000817298268 1136794358 /nfs/dbraw/zinc/79/43/58/1136794358.db2.gz JJWKGOANOJGYCM-UHFFFAOYSA-N 1 2 349.862 3.564 20 0 EHADLO O=C(NCCSc1ccc(Cl)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001135889303 1136800222 /nfs/dbraw/zinc/80/02/22/1136800222.db2.gz BWAVSMAZDLPOTO-UHFFFAOYSA-N 1 2 331.828 3.738 20 0 EHADLO CCn1nnc(C)c1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776910 1136810503 /nfs/dbraw/zinc/81/05/03/1136810503.db2.gz LFRHKKFIWPXNCX-QMMMGPOBSA-N 1 2 347.772 3.524 20 0 EHADLO CC(C)n1c[nH+]cc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818180532 1136863210 /nfs/dbraw/zinc/86/32/10/1136863210.db2.gz AFWDVBPSJZIHIO-HUUCEWRRSA-N 1 2 346.450 3.829 20 0 EHADLO COC(OC)c1ccc(F)c(C[NH2+]Cc2nc(C(C)C)cs2)c1 ZINC000818194114 1136864694 /nfs/dbraw/zinc/86/46/94/1136864694.db2.gz BQQLSNBUHJITTG-UHFFFAOYSA-N 1 2 338.448 3.987 20 0 EHADLO CCn1nc(C)c(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)n1 ZINC000818223491 1136867805 /nfs/dbraw/zinc/86/78/05/1136867805.db2.gz YMLHFBGUODJJEJ-UHFFFAOYSA-N 1 2 340.402 3.828 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001170895366 1136869277 /nfs/dbraw/zinc/86/92/77/1136869277.db2.gz DBTBDPUMKNGMEQ-WMLDXEAASA-N 1 2 343.854 3.919 20 0 EHADLO O=C(Nc1ccc(-c2ccccc2)cc1F)[C@@H]1CCc2c[nH+]cn2C1 ZINC001136195237 1136919201 /nfs/dbraw/zinc/91/92/01/1136919201.db2.gz LFKUCZLQTUGYRU-MRXNPFEDSA-N 1 2 335.382 3.890 20 0 EHADLO O=C(CCCn1ccc2cc(Cl)ccc21)N[C@H]1CCn2c[nH+]cc21 ZINC000857979525 1136926869 /nfs/dbraw/zinc/92/68/69/1136926869.db2.gz COHFFKDTGFTZHF-HNNXBMFYSA-N 1 2 342.830 3.533 20 0 EHADLO CC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(C(F)(F)F)c1 ZINC000857983359 1136927175 /nfs/dbraw/zinc/92/71/75/1136927175.db2.gz QESSCLAZDGBLEU-UONOGXRCSA-N 1 2 337.345 3.657 20 0 EHADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(OCC2CCCCC2)cc1 ZINC000857986762 1136927442 /nfs/dbraw/zinc/92/74/42/1136927442.db2.gz SHQYRSYRNXZNOK-GOSISDBHSA-N 1 2 339.439 3.717 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000819546841 1136949576 /nfs/dbraw/zinc/94/95/76/1136949576.db2.gz SSJAFVZZGZTCGK-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO Cc1coc(C)c1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000819546841 1136949577 /nfs/dbraw/zinc/94/95/77/1136949577.db2.gz SSJAFVZZGZTCGK-HNNXBMFYSA-N 1 2 341.455 3.955 20 0 EHADLO CCC(CC)(CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)SC ZINC000819887134 1136964828 /nfs/dbraw/zinc/96/48/28/1136964828.db2.gz SZXSGPPFJLOVCI-MRXNPFEDSA-N 1 2 345.512 3.970 20 0 EHADLO O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1cccc2[nH+]ccn21 ZINC000777031988 1136975519 /nfs/dbraw/zinc/97/55/19/1136975519.db2.gz GUDIOQAINITCIC-UHFFFAOYSA-N 1 2 346.268 3.747 20 0 EHADLO Cc1ccc2cc([C@H](C)[NH2+]C(c3ccnn3C)c3ccnn3C)oc2c1 ZINC000858584823 1136980473 /nfs/dbraw/zinc/98/04/73/1136980473.db2.gz XAXILXLWIGENJD-AWEZNQCLSA-N 1 2 349.438 3.648 20 0 EHADLO CCCCC[N@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)C ZINC000116256321 1136986599 /nfs/dbraw/zinc/98/65/99/1136986599.db2.gz BNTOTFZAJHYJKW-UHFFFAOYSA-N 1 2 331.435 3.908 20 0 EHADLO CCCCC[N@@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)C ZINC000116256321 1136986602 /nfs/dbraw/zinc/98/66/02/1136986602.db2.gz BNTOTFZAJHYJKW-UHFFFAOYSA-N 1 2 331.435 3.908 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)OCC1CCCCC1 ZINC000820786325 1137006144 /nfs/dbraw/zinc/00/61/44/1137006144.db2.gz CXBNHVIVJMHPFH-UHFFFAOYSA-N 1 2 331.460 3.878 20 0 EHADLO CC(C)C[C@H](C(=O)N[C@@H]1CCc2c1cccc2Cl)n1cc[nH+]c1 ZINC001136387113 1137006959 /nfs/dbraw/zinc/00/69/59/1137006959.db2.gz XLRZXAUBWXROTR-IAGOWNOFSA-N 1 2 331.847 3.927 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201988 1137007298 /nfs/dbraw/zinc/00/72/98/1137007298.db2.gz QEPBFFVRQIHKRW-SJORKVTESA-N 1 2 345.418 3.564 20 0 EHADLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1)c1ccc(F)cc1 ZINC000859201988 1137007299 /nfs/dbraw/zinc/00/72/99/1137007299.db2.gz QEPBFFVRQIHKRW-SJORKVTESA-N 1 2 345.418 3.564 20 0 EHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CCc2ccccc21 ZINC001136393834 1137010533 /nfs/dbraw/zinc/01/05/33/1137010533.db2.gz AIEXDPDQEJSSQS-IEBWSBKVSA-N 1 2 339.483 3.924 20 0 EHADLO Cn1nc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1Cl ZINC000859307219 1137011200 /nfs/dbraw/zinc/01/12/00/1137011200.db2.gz PQLSVCYTTOFDRW-UHFFFAOYSA-N 1 2 348.809 3.733 20 0 EHADLO COc1cccc(O)c1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001136399276 1137012557 /nfs/dbraw/zinc/01/25/57/1137012557.db2.gz QPIMSDOXCYFUPQ-UHFFFAOYSA-N 1 2 337.379 3.660 20 0 EHADLO c1cc([C@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CCO2)cs1 ZINC000821386712 1137024926 /nfs/dbraw/zinc/02/49/26/1137024926.db2.gz MYHLFILDQCNTED-CTWPCTMYSA-N 1 2 329.465 3.869 20 0 EHADLO c1cc([C@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CCO2)cs1 ZINC000821386712 1137024927 /nfs/dbraw/zinc/02/49/27/1137024927.db2.gz MYHLFILDQCNTED-CTWPCTMYSA-N 1 2 329.465 3.869 20 0 EHADLO Clc1nc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cs1 ZINC000860010774 1137040711 /nfs/dbraw/zinc/04/07/11/1137040711.db2.gz KOWZGRSEHVKWAV-UHFFFAOYSA-N 1 2 346.887 3.596 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000821996337 1137046540 /nfs/dbraw/zinc/04/65/40/1137046540.db2.gz DWSLRDOZDMSDIX-BPLDGKMQSA-N 1 2 349.356 3.548 20 0 EHADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000821996337 1137046542 /nfs/dbraw/zinc/04/65/42/1137046542.db2.gz DWSLRDOZDMSDIX-BPLDGKMQSA-N 1 2 349.356 3.548 20 0 EHADLO COC1CCC(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)CC1 ZINC001136624616 1137072883 /nfs/dbraw/zinc/07/28/83/1137072883.db2.gz BQFJGVNJSBDXHP-UHFFFAOYSA-N 1 2 327.428 3.715 20 0 EHADLO COc1cccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001136624731 1137072889 /nfs/dbraw/zinc/07/28/89/1137072889.db2.gz HMEHQASQRQSHAO-UHFFFAOYSA-N 1 2 335.407 3.761 20 0 EHADLO Cc1cc(NC(=O)[C@@H]2CCN(C)c3ccccc32)ccc1-n1cc[nH+]c1 ZINC001136624676 1137072920 /nfs/dbraw/zinc/07/29/20/1137072920.db2.gz FLRSXYFQLQIMNE-GOSISDBHSA-N 1 2 346.434 3.743 20 0 EHADLO Cc1ccc(C)c(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1 ZINC001136624990 1137073190 /nfs/dbraw/zinc/07/31/90/1137073190.db2.gz TXNWMAUPIYIIHA-UHFFFAOYSA-N 1 2 335.407 3.815 20 0 EHADLO CCC[C@H](OCC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000860748907 1137076573 /nfs/dbraw/zinc/07/65/73/1137076573.db2.gz NRSPTTMDQYUOKK-SFHVURJKSA-N 1 2 342.439 3.997 20 0 EHADLO Cc1cc(CNC(=O)Cc2ccc(SC3CC3)cc2)cc(C)[nH+]1 ZINC000823057804 1137084297 /nfs/dbraw/zinc/08/42/97/1137084297.db2.gz VZUGXICHHWYQEI-UHFFFAOYSA-N 1 2 326.465 3.812 20 0 EHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(CF)cc1 ZINC000823216295 1137091010 /nfs/dbraw/zinc/09/10/10/1137091010.db2.gz WFFACKXZVZIBLF-UHFFFAOYSA-N 1 2 333.432 3.851 20 0 EHADLO CO[C@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C1CCCC1 ZINC000823353158 1137096041 /nfs/dbraw/zinc/09/60/41/1137096041.db2.gz MBWAMMCBXAYJBU-KRWDZBQOSA-N 1 2 327.428 3.837 20 0 EHADLO Cc1ccc2oc(-c3nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no3)cc2c1 ZINC000823392964 1137097740 /nfs/dbraw/zinc/09/77/40/1137097740.db2.gz GEAAKUVDIFHLJI-LBPRGKRZSA-N 1 2 343.383 3.523 20 0 EHADLO C[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001136729050 1137102480 /nfs/dbraw/zinc/10/24/80/1137102480.db2.gz QCNHRDBBKBAKDD-ZPPSIVDRSA-N 1 2 326.484 3.670 20 0 EHADLO Cn1nc(C2CC2)cc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000823812596 1137114111 /nfs/dbraw/zinc/11/41/11/1137114111.db2.gz MXXKKFZNTZDKHY-FQEVSTJZSA-N 1 2 336.414 3.711 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc2cccnc2o1 ZINC000824215692 1137128391 /nfs/dbraw/zinc/12/83/91/1137128391.db2.gz RWAQACKQYMGITR-OKILXGFUSA-N 1 2 345.443 3.658 20 0 EHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc2cccnc2o1 ZINC000824215692 1137128393 /nfs/dbraw/zinc/12/83/93/1137128393.db2.gz RWAQACKQYMGITR-OKILXGFUSA-N 1 2 345.443 3.658 20 0 EHADLO CC(C)C[C@@H](C(=O)NCCC[C@H]1CC1(Cl)Cl)n1cc[nH+]c1 ZINC000824245730 1137130056 /nfs/dbraw/zinc/13/00/56/1137130056.db2.gz DZYYDBPRUJBMHG-STQMWFEESA-N 1 2 332.275 3.561 20 0 EHADLO CCn1nc(C)c(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)n1 ZINC000824333440 1137133047 /nfs/dbraw/zinc/13/30/47/1137133047.db2.gz WWJAUDCFKWLJKC-UHFFFAOYSA-N 1 2 336.842 3.721 20 0 EHADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000824370498 1137135732 /nfs/dbraw/zinc/13/57/32/1137135732.db2.gz JUOUTBJKLHCJLH-KSSFIOAISA-N 1 2 328.460 3.588 20 0 EHADLO CCn1nc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000824370498 1137135733 /nfs/dbraw/zinc/13/57/33/1137135733.db2.gz JUOUTBJKLHCJLH-KSSFIOAISA-N 1 2 328.460 3.588 20 0 EHADLO CCCCc1nc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)no1 ZINC000118855240 1137137771 /nfs/dbraw/zinc/13/77/71/1137137771.db2.gz VWZWHJPRYMCGNA-QGZVFWFLSA-N 1 2 349.450 3.743 20 0 EHADLO CCCCc1nc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)no1 ZINC000118855240 1137137772 /nfs/dbraw/zinc/13/77/72/1137137772.db2.gz VWZWHJPRYMCGNA-QGZVFWFLSA-N 1 2 349.450 3.743 20 0 EHADLO Cc1ccc(-n2cc(C[NH2+][C@@H]3CCn4ccnc43)c(C(C)(C)C)n2)cc1 ZINC000824526824 1137141474 /nfs/dbraw/zinc/14/14/74/1137141474.db2.gz PTBYQIPRYAISQR-GOSISDBHSA-N 1 2 349.482 3.909 20 0 EHADLO Cc1ccc(C[NH+]2CC(Cc3ccccc3Br)C2)cn1 ZINC000862538114 1137148856 /nfs/dbraw/zinc/14/88/56/1137148856.db2.gz MWHFAMXHZSMENH-UHFFFAOYSA-N 1 2 331.257 3.827 20 0 EHADLO COc1cccc([C@H](O)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)c1 ZINC000862543061 1137149441 /nfs/dbraw/zinc/14/94/41/1137149441.db2.gz CGZDGLVUSZYIFL-LJQANCHMSA-N 1 2 342.439 3.506 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001143309644 1137149998 /nfs/dbraw/zinc/14/99/98/1137149998.db2.gz AQGDSGHEFVKSPV-NSHDSACASA-N 1 2 333.325 3.654 20 0 EHADLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001143309644 1137150000 /nfs/dbraw/zinc/15/00/00/1137150000.db2.gz AQGDSGHEFVKSPV-NSHDSACASA-N 1 2 333.325 3.654 20 0 EHADLO CCC[C@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171065809 1137151768 /nfs/dbraw/zinc/15/17/68/1137151768.db2.gz BPGZTYKUKUXYHP-DOMZBBRYSA-N 1 2 330.255 3.782 20 0 EHADLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136948892 1137155392 /nfs/dbraw/zinc/15/53/92/1137155392.db2.gz RXQVIAAMGXTKGX-GFCCVEGCSA-N 1 2 334.441 3.822 20 0 EHADLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136948892 1137155393 /nfs/dbraw/zinc/15/53/93/1137155393.db2.gz RXQVIAAMGXTKGX-GFCCVEGCSA-N 1 2 334.441 3.822 20 0 EHADLO Cc1cccn2c(CN(Cc3cccnc3)Cc3ccccn3)c[nH+]c12 ZINC001136964279 1137157775 /nfs/dbraw/zinc/15/77/75/1137157775.db2.gz HHYJPMWRHHHSNI-UHFFFAOYSA-N 1 2 343.434 3.635 20 0 EHADLO COc1ncc(C[N@H+](C)Cc2ccccc2Br)cc1C ZINC001136999526 1137168103 /nfs/dbraw/zinc/16/81/03/1137168103.db2.gz AQAJYRRVISVCTI-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO COc1ncc(C[N@@H+](C)Cc2ccccc2Br)cc1C ZINC001136999526 1137168104 /nfs/dbraw/zinc/16/81/04/1137168104.db2.gz AQAJYRRVISVCTI-UHFFFAOYSA-N 1 2 335.245 3.793 20 0 EHADLO COc1ncc(C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1C ZINC001137007400 1137170092 /nfs/dbraw/zinc/17/00/92/1137170092.db2.gz BYEIAPGFKYEVFY-IBGZPJMESA-N 1 2 346.858 3.800 20 0 EHADLO COc1ncc(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1C ZINC001137007400 1137170094 /nfs/dbraw/zinc/17/00/94/1137170094.db2.gz BYEIAPGFKYEVFY-IBGZPJMESA-N 1 2 346.858 3.800 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137041333 1137178801 /nfs/dbraw/zinc/17/88/01/1137178801.db2.gz YYQNQLYUWWOKQL-FQEVSTJZSA-N 1 2 349.434 3.661 20 0 EHADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137041333 1137178802 /nfs/dbraw/zinc/17/88/02/1137178802.db2.gz YYQNQLYUWWOKQL-FQEVSTJZSA-N 1 2 349.434 3.661 20 0 EHADLO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339777 1137181610 /nfs/dbraw/zinc/18/16/10/1137181610.db2.gz IWPAHTUZKPWCMR-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000863339777 1137181612 /nfs/dbraw/zinc/18/16/12/1137181612.db2.gz IWPAHTUZKPWCMR-BWPKMQGJSA-N 1 2 343.500 3.649 20 0 EHADLO Cc1cc(C)cc(-c2noc([C@H]([NH3+])[C@H](C)OCc3ccccc3)n2)c1 ZINC000863660773 1137197623 /nfs/dbraw/zinc/19/76/23/1137197623.db2.gz FJEDDJOEMJZIRN-MAUKXSAKSA-N 1 2 337.423 3.959 20 0 EHADLO O=C(Nc1cccc2cc[nH]c21)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001671072522 1137200644 /nfs/dbraw/zinc/20/06/44/1137200644.db2.gz XQENNMAYGMZQLX-GOSISDBHSA-N 1 2 345.406 3.927 20 0 EHADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H](CCc1ccccc1)C(F)F ZINC000863729622 1137201139 /nfs/dbraw/zinc/20/11/39/1137201139.db2.gz JEXKKEGZLSHDJQ-OAHLLOKOSA-N 1 2 343.377 3.673 20 0 EHADLO COc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1OC(F)(F)F ZINC001143879148 1137208195 /nfs/dbraw/zinc/20/81/95/1137208195.db2.gz ZDWTWWXJDSHWHY-GFCCVEGCSA-N 1 2 340.345 3.972 20 0 EHADLO COc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1OC(F)(F)F ZINC001143879148 1137208197 /nfs/dbraw/zinc/20/81/97/1137208197.db2.gz ZDWTWWXJDSHWHY-GFCCVEGCSA-N 1 2 340.345 3.972 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143879920 1137209236 /nfs/dbraw/zinc/20/92/36/1137209236.db2.gz BGSCXLRSCBHKPA-SFYZADRCSA-N 1 2 328.161 3.967 20 0 EHADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001143879920 1137209237 /nfs/dbraw/zinc/20/92/37/1137209237.db2.gz BGSCXLRSCBHKPA-SFYZADRCSA-N 1 2 328.161 3.967 20 0 EHADLO CCCCc1noc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844371784 1137213169 /nfs/dbraw/zinc/21/31/69/1137213169.db2.gz OSKJBPMXXIUMEL-GOSISDBHSA-N 1 2 349.862 3.549 20 0 EHADLO CCCCc1noc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844371784 1137213170 /nfs/dbraw/zinc/21/31/70/1137213170.db2.gz OSKJBPMXXIUMEL-GOSISDBHSA-N 1 2 349.862 3.549 20 0 EHADLO COc1cc2c(cn1)CC[N@H+](Cc1cccc(C(F)(F)F)c1C)C2 ZINC001143929256 1137213640 /nfs/dbraw/zinc/21/36/40/1137213640.db2.gz GBPBDFXRDUZGSL-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO COc1cc2c(cn1)CC[N@@H+](Cc1cccc(C(F)(F)F)c1C)C2 ZINC001143929256 1137213641 /nfs/dbraw/zinc/21/36/41/1137213641.db2.gz GBPBDFXRDUZGSL-UHFFFAOYSA-N 1 2 336.357 3.976 20 0 EHADLO CCOc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1F ZINC001143930308 1137217681 /nfs/dbraw/zinc/21/76/81/1137217681.db2.gz FWWYAQQTLFSHKO-GJZGRUSLSA-N 1 2 343.373 3.775 20 0 EHADLO CCOc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1F ZINC001143930308 1137217682 /nfs/dbraw/zinc/21/76/82/1137217682.db2.gz FWWYAQQTLFSHKO-GJZGRUSLSA-N 1 2 343.373 3.775 20 0 EHADLO CO[C@@]1(C)CCC[N@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000794653663 1137223777 /nfs/dbraw/zinc/22/37/77/1137223777.db2.gz DVJAUWSURQYNQQ-INIZCTEOSA-N 1 2 335.498 3.799 20 0 EHADLO CO[C@@]1(C)CCC[N@@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000794653663 1137223779 /nfs/dbraw/zinc/22/37/79/1137223779.db2.gz DVJAUWSURQYNQQ-INIZCTEOSA-N 1 2 335.498 3.799 20 0 EHADLO CCOc1c(F)cc(C[N@@H+]2CCc3cc(OC)ccc3C2)cc1F ZINC001144023392 1137229591 /nfs/dbraw/zinc/22/95/91/1137229591.db2.gz SVQUZCSRPQVNOX-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO CCOc1c(F)cc(C[N@H+]2CCc3cc(OC)ccc3C2)cc1F ZINC001144023392 1137229593 /nfs/dbraw/zinc/22/95/93/1137229593.db2.gz SVQUZCSRPQVNOX-UHFFFAOYSA-N 1 2 333.378 3.930 20 0 EHADLO COC(=O)c1cccc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)n1 ZINC001212613239 1137233565 /nfs/dbraw/zinc/23/35/65/1137233565.db2.gz KDRNIZNLVATDNJ-UHFFFAOYSA-N 1 2 340.427 3.776 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144126086 1137242269 /nfs/dbraw/zinc/24/22/69/1137242269.db2.gz YFSZUBBJYYLCCW-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144126086 1137242271 /nfs/dbraw/zinc/24/22/71/1137242271.db2.gz YFSZUBBJYYLCCW-ZDUSSCGKSA-N 1 2 343.723 3.898 20 0 EHADLO CCc1nnc(C2CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)o1 ZINC001144133884 1137242793 /nfs/dbraw/zinc/24/27/93/1137242793.db2.gz GAADVAHHAJNDPY-UHFFFAOYSA-N 1 2 341.789 3.943 20 0 EHADLO O=C1CC2(CCCC2)N1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000844698343 1137248297 /nfs/dbraw/zinc/24/82/97/1137248297.db2.gz UJLWUAXXRQLZAY-UHFFFAOYSA-N 1 2 328.431 3.808 20 0 EHADLO CCn1cc(C[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C(C)C)cn1 ZINC000844737816 1137251531 /nfs/dbraw/zinc/25/15/31/1137251531.db2.gz RVJWJHIEAFTPGK-UHFFFAOYSA-N 1 2 341.434 3.774 20 0 EHADLO CCn1cc(C[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C(C)C)cn1 ZINC000844737816 1137251533 /nfs/dbraw/zinc/25/15/33/1137251533.db2.gz RVJWJHIEAFTPGK-UHFFFAOYSA-N 1 2 341.434 3.774 20 0 EHADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1([C@H]2CCCCO2)CCC1 ZINC000864904828 1137251643 /nfs/dbraw/zinc/25/16/43/1137251643.db2.gz PLBWYGOVRISAFM-QGZVFWFLSA-N 1 2 325.412 3.550 20 0 EHADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@@H]1CC1CCCC1 ZINC001144219287 1137253249 /nfs/dbraw/zinc/25/32/49/1137253249.db2.gz LQWWDQJXDWFXOD-QGZVFWFLSA-N 1 2 339.439 3.763 20 0 EHADLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001144219485 1137253395 /nfs/dbraw/zinc/25/33/95/1137253395.db2.gz XNVCMQVJQXQVMK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001144219485 1137253396 /nfs/dbraw/zinc/25/33/96/1137253396.db2.gz XNVCMQVJQXQVMK-MRXNPFEDSA-N 1 2 332.245 3.885 20 0 EHADLO Cc1cc2c(CC(=O)N3CCC(n4cc[nH+]c4)CC3)csc2s1 ZINC000865068488 1137261355 /nfs/dbraw/zinc/26/13/55/1137261355.db2.gz RTGYKUXDOAZDLD-UHFFFAOYSA-N 1 2 345.493 3.874 20 0 EHADLO O=C(CCc1cccc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066726 1137261369 /nfs/dbraw/zinc/26/13/69/1137261369.db2.gz FZASAPLZOHSFJA-UHFFFAOYSA-N 1 2 333.435 3.833 20 0 EHADLO O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865141143 1137264923 /nfs/dbraw/zinc/26/49/23/1137264923.db2.gz PRFZMUVQVLPYTR-NPQIQWPPSA-N 1 2 349.356 3.848 20 0 EHADLO O=C1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@H]1F ZINC001171158826 1137270083 /nfs/dbraw/zinc/27/00/83/1137270083.db2.gz SMFYSBJFIJEJNX-IUODEOHRSA-N 1 2 330.230 3.854 20 0 EHADLO O=C1CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[C@H]1F ZINC001171158826 1137270084 /nfs/dbraw/zinc/27/00/84/1137270084.db2.gz SMFYSBJFIJEJNX-IUODEOHRSA-N 1 2 330.230 3.854 20 0 EHADLO CCOc1ccc(-c2noc(Cn3c[nH+]c(C(C)(C)C)c3)n2)cc1 ZINC000865375732 1137278515 /nfs/dbraw/zinc/27/85/15/1137278515.db2.gz MBYWHACPRWGTJF-UHFFFAOYSA-N 1 2 326.400 3.678 20 0 EHADLO Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC000845277411 1137283264 /nfs/dbraw/zinc/28/32/64/1137283264.db2.gz HBLYIQJNXJITEO-JKSUJKDBSA-N 1 2 328.412 3.574 20 0 EHADLO C[C@@H](CC(=O)OCc1cccc(C(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000845286976 1137283650 /nfs/dbraw/zinc/28/36/50/1137283650.db2.gz YLRYWRAEFOSLBW-AWEZNQCLSA-N 1 2 344.411 3.533 20 0 EHADLO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845287171 1137283659 /nfs/dbraw/zinc/28/36/59/1137283659.db2.gz WAVJOASJQHXPGD-DOTOQJQBSA-N 1 2 331.504 3.731 20 0 EHADLO Cc1ccc(C[C@H]([NH2+]Cc2cn(C3CC3)cn2)c2ccccn2)cc1 ZINC000865465616 1137286385 /nfs/dbraw/zinc/28/63/85/1137286385.db2.gz DZPJJDGDIOGKGX-NRFANRHFSA-N 1 2 332.451 3.995 20 0 EHADLO CCCn1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)nn1 ZINC000865473572 1137286945 /nfs/dbraw/zinc/28/69/45/1137286945.db2.gz PAGPHVGFIOMEOP-HXUWFJFHSA-N 1 2 338.430 3.901 20 0 EHADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cccnc1Br ZINC000865475793 1137287150 /nfs/dbraw/zinc/28/71/50/1137287150.db2.gz FPYOWHUYMMEEMJ-SNVBAGLBSA-N 1 2 339.208 3.843 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCCc1ccc2ccccc2c1 ZINC000845470763 1137293990 /nfs/dbraw/zinc/29/39/90/1137293990.db2.gz IWAHNTPWXZWYQE-UHFFFAOYSA-N 1 2 334.419 3.701 20 0 EHADLO CCCCN(C)c1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845454206 1137294235 /nfs/dbraw/zinc/29/42/35/1137294235.db2.gz HCFNGRJSGDZVRQ-UHFFFAOYSA-N 1 2 340.471 3.637 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](OC(=O)C[C@H](C)n3cc[nH+]c3)CCO2)cc1 ZINC000845498673 1137295335 /nfs/dbraw/zinc/29/53/35/1137295335.db2.gz IQCMIHZGULDIDH-JQHSSLGASA-N 1 2 328.412 3.606 20 0 EHADLO Cc1ccc([C@@H]2C[C@H](OC(=O)C[C@@H](C)n3cc[nH+]c3)CCO2)cc1 ZINC000845498675 1137295387 /nfs/dbraw/zinc/29/53/87/1137295387.db2.gz IQCMIHZGULDIDH-NXHRZFHOSA-N 1 2 328.412 3.606 20 0 EHADLO C[C@@H](COC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000845502671 1137295511 /nfs/dbraw/zinc/29/55/11/1137295511.db2.gz LURRTSUMICXOAM-ZDUSSCGKSA-N 1 2 332.831 3.762 20 0 EHADLO COc1ncc(C[N@H+](Cc2ccccc2)Cc2cccnc2)cc1F ZINC001144463872 1137297014 /nfs/dbraw/zinc/29/70/14/1137297014.db2.gz VWEXOQMVLMZAHT-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO COc1ncc(C[N@@H+](Cc2ccccc2)Cc2cccnc2)cc1F ZINC001144463872 1137297015 /nfs/dbraw/zinc/29/70/15/1137297015.db2.gz VWEXOQMVLMZAHT-UHFFFAOYSA-N 1 2 337.398 3.827 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1C[C@@H](c2ccccc2Cl)C1 ZINC000845593494 1137300513 /nfs/dbraw/zinc/30/05/13/1137300513.db2.gz ZWDQHRZZEJUABH-OTVXOJSOSA-N 1 2 344.842 3.905 20 0 EHADLO CCCn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)nn1 ZINC000865665342 1137302919 /nfs/dbraw/zinc/30/29/19/1137302919.db2.gz VOQWJLOTZGMAKY-HXUWFJFHSA-N 1 2 335.455 3.547 20 0 EHADLO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2c(F)cc(O)cc2F)c1 ZINC001144567561 1137311475 /nfs/dbraw/zinc/31/14/75/1137311475.db2.gz RLYHPGZFWGVZBV-GOSISDBHSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2c(F)cc(O)cc2F)c1 ZINC001144567561 1137311477 /nfs/dbraw/zinc/31/14/77/1137311477.db2.gz RLYHPGZFWGVZBV-GOSISDBHSA-N 1 2 347.361 3.794 20 0 EHADLO FC(F)(F)c1nc(C[NH2+]Cc2ccncc2Cl)c2n1CCCC2 ZINC000865802831 1137312790 /nfs/dbraw/zinc/31/27/90/1137312790.db2.gz WLTMHGPIWNWVSG-UHFFFAOYSA-N 1 2 344.768 3.576 20 0 EHADLO CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002408 1137324027 /nfs/dbraw/zinc/32/40/27/1137324027.db2.gz WKYKCVOKFVIRAY-FXAWDEMLSA-N 1 2 327.472 3.540 20 0 EHADLO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(O)cc2F)c1 ZINC001144663234 1137324913 /nfs/dbraw/zinc/32/49/13/1137324913.db2.gz ACXXLOGYDXVRCU-QGZVFWFLSA-N 1 2 347.361 3.794 20 0 EHADLO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cc(F)c(O)cc2F)c1 ZINC001144663234 1137324915 /nfs/dbraw/zinc/32/49/15/1137324915.db2.gz ACXXLOGYDXVRCU-QGZVFWFLSA-N 1 2 347.361 3.794 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000846117941 1137333925 /nfs/dbraw/zinc/33/39/25/1137333925.db2.gz ROSQYZFEJMQYLA-CQSZACIVSA-N 1 2 325.412 3.528 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(-n2ccnc2)cc1 ZINC000866215382 1137335717 /nfs/dbraw/zinc/33/57/17/1137335717.db2.gz JUHGMWDXJIAHOW-DCPHZVHLSA-N 1 2 337.398 3.995 20 0 EHADLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc(-n2ccnc2)cc1 ZINC000866215385 1137335750 /nfs/dbraw/zinc/33/57/50/1137335750.db2.gz JUHGMWDXJIAHOW-QMIHWGKISA-N 1 2 337.398 3.995 20 0 EHADLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1Cl ZINC001144729163 1137337456 /nfs/dbraw/zinc/33/74/56/1137337456.db2.gz CKDINKHRFFPVHY-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1Cl ZINC001144729163 1137337458 /nfs/dbraw/zinc/33/74/58/1137337458.db2.gz CKDINKHRFFPVHY-UHFFFAOYSA-N 1 2 325.742 3.979 20 0 EHADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1Cl ZINC001144729337 1137337700 /nfs/dbraw/zinc/33/77/00/1137337700.db2.gz LEGWLDITJPZPIQ-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1Cl ZINC001144729337 1137337702 /nfs/dbraw/zinc/33/77/02/1137337702.db2.gz LEGWLDITJPZPIQ-UHFFFAOYSA-N 1 2 348.821 3.965 20 0 EHADLO C[C@@H]1C[N@H+](Cc2ccc3scnc3c2)CCN1C(=O)OC(C)(C)C ZINC001144732508 1137339677 /nfs/dbraw/zinc/33/96/77/1137339677.db2.gz DNDPTEVXXDLTIE-CYBMUJFWSA-N 1 2 347.484 3.738 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2ccc3scnc3c2)CCN1C(=O)OC(C)(C)C ZINC001144732508 1137339679 /nfs/dbraw/zinc/33/96/79/1137339679.db2.gz DNDPTEVXXDLTIE-CYBMUJFWSA-N 1 2 347.484 3.738 20 0 EHADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(Oc2cccnc2)cc1 ZINC000846184099 1137340120 /nfs/dbraw/zinc/34/01/20/1137340120.db2.gz QOXKNRLTWHYYJB-UHFFFAOYSA-N 1 2 348.406 3.588 20 0 EHADLO COCc1cc[nH+]c(N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000846213394 1137341670 /nfs/dbraw/zinc/34/16/70/1137341670.db2.gz RWCGRKDLTBXUOZ-CQSZACIVSA-N 1 2 349.475 3.676 20 0 EHADLO O=C(C=Cc1ccccc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866420965 1137353212 /nfs/dbraw/zinc/35/32/12/1137353212.db2.gz UAEKXNPRBARBMP-WAYWQWQTSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(C=Cc1ccccc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866420965 1137353214 /nfs/dbraw/zinc/35/32/14/1137353214.db2.gz UAEKXNPRBARBMP-WAYWQWQTSA-N 1 2 349.356 3.848 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421076 1137353350 /nfs/dbraw/zinc/35/33/50/1137353350.db2.gz LPRHUFSTRQPVGC-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(c1cccc(Oc2ccccn2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421076 1137353352 /nfs/dbraw/zinc/35/33/52/1137353352.db2.gz LPRHUFSTRQPVGC-UHFFFAOYSA-N 1 2 348.406 3.617 20 0 EHADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(F)(F)c1ccccc1 ZINC000846654055 1137360565 /nfs/dbraw/zinc/36/05/65/1137360565.db2.gz ISUZXHZLZITDEB-WKILWMFISA-N 1 2 345.393 3.713 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(-c2ccccc2)nn1C ZINC000866566436 1137365141 /nfs/dbraw/zinc/36/51/41/1137365141.db2.gz CYQNPXWKKXWKAC-GFCCVEGCSA-N 1 2 345.397 3.609 20 0 EHADLO O=C1CCc2cc(-c3cccc(Cn4cc[nH+]c4)c3)cc3c2N1CCC3 ZINC000846780950 1137365186 /nfs/dbraw/zinc/36/51/86/1137365186.db2.gz WYKULZBIYWICIP-UHFFFAOYSA-N 1 2 343.430 3.824 20 0 EHADLO CC[N@H+](Cc1cnc(Cl)c(F)c1)Cc1ccc(OC)cc1OC ZINC000846783592 1137365488 /nfs/dbraw/zinc/36/54/88/1137365488.db2.gz ANSUURLFFXVWSX-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO CC[N@@H+](Cc1cnc(Cl)c(F)c1)Cc1ccc(OC)cc1OC ZINC000846783592 1137365489 /nfs/dbraw/zinc/36/54/89/1137365489.db2.gz ANSUURLFFXVWSX-UHFFFAOYSA-N 1 2 338.810 3.913 20 0 EHADLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000866581453 1137366555 /nfs/dbraw/zinc/36/65/55/1137366555.db2.gz ILNAXTILXAGBNR-FCEWJHQRSA-N 1 2 343.446 3.701 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cnc(Cl)c(F)c1)CC2 ZINC000846838619 1137370802 /nfs/dbraw/zinc/37/08/02/1137370802.db2.gz QILDNBAXQAROEL-UHFFFAOYSA-N 1 2 332.806 3.678 20 0 EHADLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cnc(Cl)c(F)c1)CC2 ZINC000846838619 1137370804 /nfs/dbraw/zinc/37/08/04/1137370804.db2.gz QILDNBAXQAROEL-UHFFFAOYSA-N 1 2 332.806 3.678 20 0 EHADLO CCOc1ccc(-c2nc(C[NH+]3CCC(C(C)=O)CC3)co2)cc1 ZINC000846947818 1137378162 /nfs/dbraw/zinc/37/81/62/1137378162.db2.gz YNHKKQBBWXUACO-UHFFFAOYSA-N 1 2 328.412 3.541 20 0 EHADLO CC(=O)C1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000846953103 1137378858 /nfs/dbraw/zinc/37/88/58/1137378858.db2.gz MSNSAFUERNKWRJ-UHFFFAOYSA-N 1 2 342.483 3.653 20 0 EHADLO O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000867904639 1137389111 /nfs/dbraw/zinc/38/91/11/1137389111.db2.gz CUASMRNYWUMFOC-MRXNPFEDSA-N 1 2 347.418 3.734 20 0 EHADLO CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC001146355579 1137389677 /nfs/dbraw/zinc/38/96/77/1137389677.db2.gz KJSNJFVTTQMUHV-NRFANRHFSA-N 1 2 339.483 3.804 20 0 EHADLO CC(C)C[C@@H](C(=O)N1CCc2ccccc2C(C)(C)C1)n1cc[nH+]c1 ZINC001146988430 1137398181 /nfs/dbraw/zinc/39/81/81/1137398181.db2.gz JRTNLVAIECNODJ-IBGZPJMESA-N 1 2 339.483 3.833 20 0 EHADLO Cl/C=C(/Cl)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000122041030 1137401764 /nfs/dbraw/zinc/40/17/64/1137401764.db2.gz GCHFSIWHHPLGBZ-OQZOHAQUSA-N 1 2 329.275 3.503 20 0 EHADLO Cl/C=C(/Cl)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000122041030 1137401765 /nfs/dbraw/zinc/40/17/65/1137401765.db2.gz GCHFSIWHHPLGBZ-OQZOHAQUSA-N 1 2 329.275 3.503 20 0 EHADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)s1 ZINC001147256346 1137402771 /nfs/dbraw/zinc/40/27/71/1137402771.db2.gz ARGZKEMSKTTWJQ-ZYSHUDEJSA-N 1 2 346.540 3.781 20 0 EHADLO CC[C@H](C(=O)N1c2ccccc2C(C)(C)[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001147349123 1137404975 /nfs/dbraw/zinc/40/49/75/1137404975.db2.gz MLIAYSYXCXOPKV-JFIYKMOQSA-N 1 2 344.499 3.589 20 0 EHADLO CC[C@H](C(=O)N1c2ccccc2C(C)(C)[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001147349123 1137404977 /nfs/dbraw/zinc/40/49/77/1137404977.db2.gz MLIAYSYXCXOPKV-JFIYKMOQSA-N 1 2 344.499 3.589 20 0 EHADLO C[C@H](CNC(=O)c1ccccc1NC1CCCCC1)Cn1cc[nH+]c1 ZINC001147456106 1137407597 /nfs/dbraw/zinc/40/75/97/1137407597.db2.gz FYOCMTFGNPOLLB-MRXNPFEDSA-N 1 2 340.471 3.694 20 0 EHADLO CC(C)[C@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC12CCCCCC2 ZINC000868520142 1137412954 /nfs/dbraw/zinc/41/29/54/1137412954.db2.gz NURZZFJYXCXHLG-SJLPKXTDSA-N 1 2 344.503 3.588 20 0 EHADLO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ncc(Cl)s2)CC1 ZINC001148142941 1137418394 /nfs/dbraw/zinc/41/83/94/1137418394.db2.gz WANDRENPGAYTTM-AWEZNQCLSA-N 1 2 349.887 3.706 20 0 EHADLO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001148216261 1137419972 /nfs/dbraw/zinc/41/99/72/1137419972.db2.gz IXQOVNXMGXNMJT-MRXNPFEDSA-N 1 2 349.434 3.556 20 0 EHADLO Cc1cc(CNC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC000868715326 1137420727 /nfs/dbraw/zinc/42/07/27/1137420727.db2.gz MIESBCZJLAREDA-LSDHHAIUSA-N 1 2 341.377 3.642 20 0 EHADLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1C(F)(F)F ZINC001148744955 1137432975 /nfs/dbraw/zinc/43/29/75/1137432975.db2.gz XNPOVMJMCFFBFC-GFCCVEGCSA-N 1 2 337.345 3.757 20 0 EHADLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)cnn1C ZINC000348211693 1137452496 /nfs/dbraw/zinc/45/24/96/1137452496.db2.gz GQHNWOBYOJXUCB-LLVKDONJSA-N 1 2 330.819 3.888 20 0 EHADLO Cc1nnc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)s1 ZINC000773207898 1137478678 /nfs/dbraw/zinc/47/86/78/1137478678.db2.gz NFUZTLABZHDKQF-UHFFFAOYSA-N 1 2 345.497 3.547 20 0 EHADLO Cc1nnc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)s1 ZINC000773207898 1137478679 /nfs/dbraw/zinc/47/86/79/1137478679.db2.gz NFUZTLABZHDKQF-UHFFFAOYSA-N 1 2 345.497 3.547 20 0 EHADLO Nc1nc(N2CC=C(c3ccc(Cl)nc3)CC2)[nH+]c2ccccc12 ZINC000773256080 1137481799 /nfs/dbraw/zinc/48/17/99/1137481799.db2.gz YRFGXFUKNKDYIV-UHFFFAOYSA-N 1 2 337.814 3.554 20 0 EHADLO CCCCC[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)OC ZINC001171474990 1137493333 /nfs/dbraw/zinc/49/33/33/1137493333.db2.gz ZZHOXJFYDLBWKO-PBHICJAKSA-N 1 2 325.399 3.534 20 0 EHADLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NC(C)(C)c1ccncc1 ZINC001171513338 1137495580 /nfs/dbraw/zinc/49/55/80/1137495580.db2.gz LJVBQHGCEUQTAK-UHFFFAOYSA-N 1 2 327.428 3.708 20 0 EHADLO O=C1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567524 1137498621 /nfs/dbraw/zinc/49/86/21/1137498621.db2.gz LRZKYDUWORPPNO-ICSRJNTNSA-N 1 2 336.435 3.751 20 0 EHADLO O=C1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)Cc2ccccc2N1 ZINC001171567524 1137498623 /nfs/dbraw/zinc/49/86/23/1137498623.db2.gz LRZKYDUWORPPNO-ICSRJNTNSA-N 1 2 336.435 3.751 20 0 EHADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CCCC1)C1CCCCCC1 ZINC001171613831 1137500672 /nfs/dbraw/zinc/50/06/72/1137500672.db2.gz OOHDIHRWMLTFEA-MSOLQXFVSA-N 1 2 325.493 3.683 20 0 EHADLO Cc1ccc(Br)c(COC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000870645578 1137503550 /nfs/dbraw/zinc/50/35/50/1137503550.db2.gz JNFKTDUGYDWJMK-LBPRGKRZSA-N 1 2 337.217 3.649 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC001171778471 1137510274 /nfs/dbraw/zinc/51/02/74/1137510274.db2.gz LOZMVFMBXJHIBV-LSDHHAIUSA-N 1 2 345.439 3.999 20 0 EHADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC001171778471 1137510276 /nfs/dbraw/zinc/51/02/76/1137510276.db2.gz LOZMVFMBXJHIBV-LSDHHAIUSA-N 1 2 345.439 3.999 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2Cc3ncsc3C2)CC12CCC2 ZINC001171854270 1137515911 /nfs/dbraw/zinc/51/59/11/1137515911.db2.gz DIMGBUYDILQJQM-CYBMUJFWSA-N 1 2 349.500 3.781 20 0 EHADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2Cc3ncsc3C2)CC12CCC2 ZINC001171854270 1137515912 /nfs/dbraw/zinc/51/59/12/1137515912.db2.gz DIMGBUYDILQJQM-CYBMUJFWSA-N 1 2 349.500 3.781 20 0 EHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C1CCCCCCC1 ZINC000870991268 1137517305 /nfs/dbraw/zinc/51/73/05/1137517305.db2.gz ISCLVKVKKHWWES-UHFFFAOYSA-N 1 2 347.528 3.612 20 0 EHADLO C[C@@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000871247897 1137528901 /nfs/dbraw/zinc/52/89/01/1137528901.db2.gz ARDRSNQAQBYQNB-IFXJQAMLSA-N 1 2 347.409 3.736 20 0 EHADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172322925 1137547315 /nfs/dbraw/zinc/54/73/15/1137547315.db2.gz ZESVUBQSQUDIAC-AOIWGVFYSA-N 1 2 335.488 3.734 20 0 EHADLO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3nccnc3C)nc(=O)c2c1C ZINC000871937634 1137563508 /nfs/dbraw/zinc/56/35/08/1137563508.db2.gz WSCBQMSUSSLYRJ-GHMZBOCLSA-N 1 2 343.456 3.524 20 0 EHADLO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cccc(O)c2F)c1 ZINC000872043047 1137567415 /nfs/dbraw/zinc/56/74/15/1137567415.db2.gz VMRRZSJZNCRDPO-SNVBAGLBSA-N 1 2 341.329 3.992 20 0 EHADLO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000872059598 1137568698 /nfs/dbraw/zinc/56/86/98/1137568698.db2.gz ITJWQMJAYFABOS-SJLPKXTDSA-N 1 2 330.472 3.815 20 0 EHADLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(O)c1F ZINC000872059823 1137568780 /nfs/dbraw/zinc/56/87/80/1137568780.db2.gz LGOTXPIXBOBNRG-MGPQQGTHSA-N 1 2 345.418 3.713 20 0 EHADLO Cc1cc([NH2+][C@@H]2CCOC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000872060743 1137568822 /nfs/dbraw/zinc/56/88/22/1137568822.db2.gz SMCRHNKGLOCXNH-GOSISDBHSA-N 1 2 330.472 3.735 20 0 EHADLO FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000872115660 1137572234 /nfs/dbraw/zinc/57/22/34/1137572234.db2.gz GAUWIMAGLIJJAK-LLVKDONJSA-N 1 2 330.741 3.575 20 0 EHADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)C1CC1 ZINC000872117597 1137572421 /nfs/dbraw/zinc/57/24/21/1137572421.db2.gz TYLLQOZZJVMGFX-CYBMUJFWSA-N 1 2 344.768 3.728 20 0 EHADLO Cc1nonc1C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000872135910 1137573632 /nfs/dbraw/zinc/57/36/32/1137573632.db2.gz JEARYPDOIKYHRH-CQSZACIVSA-N 1 2 340.452 3.977 20 0 EHADLO Cc1nonc1C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000872137145 1137573758 /nfs/dbraw/zinc/57/37/58/1137573758.db2.gz RBHXZCNLLKNVFB-LBPRGKRZSA-N 1 2 328.441 3.585 20 0 EHADLO FC(F)[C@@H]1CC[N@H+](Cc2cc3ccccc3c(Cl)n2)CCO1 ZINC000872273334 1137577129 /nfs/dbraw/zinc/57/71/29/1137577129.db2.gz ZANXOWXLKVRJPP-AWEZNQCLSA-N 1 2 326.774 3.744 20 0 EHADLO FC(F)[C@@H]1CC[N@@H+](Cc2cc3ccccc3c(Cl)n2)CCO1 ZINC000872273334 1137577130 /nfs/dbraw/zinc/57/71/30/1137577130.db2.gz ZANXOWXLKVRJPP-AWEZNQCLSA-N 1 2 326.774 3.744 20 0 EHADLO CCOc1cccc(F)c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000873013268 1137587982 /nfs/dbraw/zinc/58/79/82/1137587982.db2.gz YPIDHBYKTFOLSP-UHFFFAOYSA-N 1 2 339.414 3.759 20 0 EHADLO Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000873129097 1137590828 /nfs/dbraw/zinc/59/08/28/1137590828.db2.gz GUVCOBXZKCRNAA-GXFFZTMASA-N 1 2 338.224 3.889 20 0 EHADLO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1ncc(Cl)s1 ZINC000873164324 1137592073 /nfs/dbraw/zinc/59/20/73/1137592073.db2.gz GPKYKEIXBYTOJC-UHFFFAOYSA-N 1 2 332.860 3.889 20 0 EHADLO CC(C)n1cncc1C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873176091 1137592530 /nfs/dbraw/zinc/59/25/30/1137592530.db2.gz CLKNKVXYDYVOPF-UHFFFAOYSA-N 1 2 332.354 3.687 20 0 EHADLO COCCNc1nn(C[N@H+](CC(C)C)CC(C)(C)C)c(=S)s1 ZINC000124534851 1137600487 /nfs/dbraw/zinc/60/04/87/1137600487.db2.gz HPCJJRGISUVRKU-UHFFFAOYSA-N 1 2 346.566 3.694 20 0 EHADLO COCCNc1nn(C[N@@H+](CC(C)C)CC(C)(C)C)c(=S)s1 ZINC000124534851 1137600488 /nfs/dbraw/zinc/60/04/88/1137600488.db2.gz HPCJJRGISUVRKU-UHFFFAOYSA-N 1 2 346.566 3.694 20 0 EHADLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)o2)[C@@H](c2ccccc2)CO1 ZINC001137072117 1137602569 /nfs/dbraw/zinc/60/25/69/1137602569.db2.gz SCMSGLOYQLZACK-QFBILLFUSA-N 1 2 326.440 3.842 20 0 EHADLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)o2)[C@@H](c2ccccc2)CO1 ZINC001137072117 1137602570 /nfs/dbraw/zinc/60/25/70/1137602570.db2.gz SCMSGLOYQLZACK-QFBILLFUSA-N 1 2 326.440 3.842 20 0 EHADLO CC[N@H+](C)[C@H](C(=O)O[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578629 1137603310 /nfs/dbraw/zinc/60/33/10/1137603310.db2.gz RWXBBVIPWSROSQ-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@H](C(=O)O[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578629 1137603311 /nfs/dbraw/zinc/60/33/11/1137603311.db2.gz RWXBBVIPWSROSQ-MSOLQXFVSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@H+](C)[C@@H](C(=O)O[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578632 1137603399 /nfs/dbraw/zinc/60/33/99/1137603399.db2.gz RWXBBVIPWSROSQ-ZWKOTPCHSA-N 1 2 331.456 3.714 20 0 EHADLO CC[N@@H+](C)[C@@H](C(=O)O[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000873578632 1137603400 /nfs/dbraw/zinc/60/34/00/1137603400.db2.gz RWXBBVIPWSROSQ-ZWKOTPCHSA-N 1 2 331.456 3.714 20 0 EHADLO CCOC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000874062277 1137610012 /nfs/dbraw/zinc/61/00/12/1137610012.db2.gz ZZSFQAYUZDWPGC-INIZCTEOSA-N 1 2 344.415 3.677 20 0 EHADLO CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000874602973 1137618761 /nfs/dbraw/zinc/61/87/61/1137618761.db2.gz IQXJSVWAUSQTGA-HNNXBMFYSA-N 1 2 331.847 3.790 20 0 EHADLO CCCn1cc(C[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000876574594 1137656051 /nfs/dbraw/zinc/65/60/51/1137656051.db2.gz XPFOIGWDSBWNHR-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO CCCn1cc(C[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)nn1 ZINC000876574594 1137656052 /nfs/dbraw/zinc/65/60/52/1137656052.db2.gz XPFOIGWDSBWNHR-LBPRGKRZSA-N 1 2 326.366 3.900 20 0 EHADLO C[C@@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000876809539 1137662276 /nfs/dbraw/zinc/66/22/76/1137662276.db2.gz ZJMVDAULSFIGDD-ABAIWWIYSA-N 1 2 325.243 3.668 20 0 EHADLO CC(C)([NH2+]Cc1ccc(Cl)nn1)c1ccccc1Br ZINC000877119754 1137670772 /nfs/dbraw/zinc/67/07/72/1137670772.db2.gz BNIFUVGQWBTYAK-UHFFFAOYSA-N 1 2 340.652 3.917 20 0 EHADLO CCNC(=O)Nc1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000877485131 1137677995 /nfs/dbraw/zinc/67/79/95/1137677995.db2.gz LMNIAILTUQASLT-UHFFFAOYSA-N 1 2 342.443 3.769 20 0 EHADLO Clc1ccc(Br)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000877507102 1137679107 /nfs/dbraw/zinc/67/91/07/1137679107.db2.gz KRLYXCPPSZNWNO-STQMWFEESA-N 1 2 345.668 3.641 20 0 EHADLO Clc1ccc(Br)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000877507102 1137679108 /nfs/dbraw/zinc/67/91/08/1137679108.db2.gz KRLYXCPPSZNWNO-STQMWFEESA-N 1 2 345.668 3.641 20 0 EHADLO Cc1ccnc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1Br ZINC000877539182 1137680347 /nfs/dbraw/zinc/68/03/47/1137680347.db2.gz KWOBJGOWBXGQFN-DZGCQCFKSA-N 1 2 339.277 3.542 20 0 EHADLO Cc1ccnc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1Br ZINC000877539182 1137680348 /nfs/dbraw/zinc/68/03/48/1137680348.db2.gz KWOBJGOWBXGQFN-DZGCQCFKSA-N 1 2 339.277 3.542 20 0 EHADLO OC[C@@H]([NH2+]Cc1nc(Cl)cs1)c1cccc(C(F)(F)F)c1 ZINC000877663615 1137684907 /nfs/dbraw/zinc/68/49/07/1137684907.db2.gz DKSFFFIXVQJKKC-SNVBAGLBSA-N 1 2 336.766 3.639 20 0 EHADLO F[C@@]1(c2ccccc2)CCC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000877712365 1137686825 /nfs/dbraw/zinc/68/68/25/1137686825.db2.gz KDXLREGXGNYGHR-FQEVSTJZSA-N 1 2 340.446 3.538 20 0 EHADLO F[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000877712365 1137686826 /nfs/dbraw/zinc/68/68/26/1137686826.db2.gz KDXLREGXGNYGHR-FQEVSTJZSA-N 1 2 340.446 3.538 20 0 EHADLO Fc1cccc(F)c1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877736341 1137687470 /nfs/dbraw/zinc/68/74/70/1137687470.db2.gz VOANOFCNWVWPAJ-UHFFFAOYSA-N 1 2 333.382 3.995 20 0 EHADLO Cc1ccc(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000877780165 1137689271 /nfs/dbraw/zinc/68/92/71/1137689271.db2.gz VBUFGYHYLKDRAJ-UHFFFAOYSA-N 1 2 343.492 3.742 20 0 EHADLO C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877822738 1137691878 /nfs/dbraw/zinc/69/18/78/1137691878.db2.gz HWOWBSNTTOIHFB-SWLSCSKDSA-N 1 2 340.345 3.883 20 0 EHADLO C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877822738 1137691879 /nfs/dbraw/zinc/69/18/79/1137691879.db2.gz HWOWBSNTTOIHFB-SWLSCSKDSA-N 1 2 340.345 3.883 20 0 EHADLO Oc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000877914963 1137695353 /nfs/dbraw/zinc/69/53/53/1137695353.db2.gz LEUDFGLPZLBHNR-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO Oc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000877914963 1137695354 /nfs/dbraw/zinc/69/53/54/1137695354.db2.gz LEUDFGLPZLBHNR-KRWDZBQOSA-N 1 2 339.370 3.918 20 0 EHADLO Cc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c(C)n1 ZINC000877945608 1137696624 /nfs/dbraw/zinc/69/66/24/1137696624.db2.gz CTPFCEBHVSKGPD-UHFFFAOYSA-N 1 2 331.847 3.731 20 0 EHADLO Cc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c(C)n1 ZINC000877945608 1137696625 /nfs/dbraw/zinc/69/66/25/1137696625.db2.gz CTPFCEBHVSKGPD-UHFFFAOYSA-N 1 2 331.847 3.731 20 0 EHADLO C[N@H+](Cc1nc2c(o1)CCCC2)Cc1cccc(Br)c1 ZINC000877987805 1137698633 /nfs/dbraw/zinc/69/86/33/1137698633.db2.gz UAIKLDBSLWKMSZ-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO C[N@@H+](Cc1nc2c(o1)CCCC2)Cc1cccc(Br)c1 ZINC000877987805 1137698634 /nfs/dbraw/zinc/69/86/34/1137698634.db2.gz UAIKLDBSLWKMSZ-UHFFFAOYSA-N 1 2 335.245 3.948 20 0 EHADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878089786 1137701882 /nfs/dbraw/zinc/70/18/82/1137701882.db2.gz MZVRGOXBRIFGJQ-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878089786 1137701883 /nfs/dbraw/zinc/70/18/83/1137701883.db2.gz MZVRGOXBRIFGJQ-GFCCVEGCSA-N 1 2 337.876 3.872 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000878190728 1137706424 /nfs/dbraw/zinc/70/64/24/1137706424.db2.gz KBCAMCLWQZIPBA-KRWDZBQOSA-N 1 2 328.460 3.569 20 0 EHADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000878190728 1137706425 /nfs/dbraw/zinc/70/64/25/1137706425.db2.gz KBCAMCLWQZIPBA-KRWDZBQOSA-N 1 2 328.460 3.569 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878294600 1137710147 /nfs/dbraw/zinc/71/01/47/1137710147.db2.gz MNSHIHISPFVMGC-CYBMUJFWSA-N 1 2 332.831 3.860 20 0 EHADLO Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878294600 1137710148 /nfs/dbraw/zinc/71/01/48/1137710148.db2.gz MNSHIHISPFVMGC-CYBMUJFWSA-N 1 2 332.831 3.860 20 0 EHADLO C[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(Cl)c(F)c1 ZINC000878326788 1137710953 /nfs/dbraw/zinc/71/09/53/1137710953.db2.gz YWGQFLXPKFUXRZ-UHFFFAOYSA-N 1 2 335.872 3.514 20 0 EHADLO C[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(Cl)c(F)c1 ZINC000878326788 1137710954 /nfs/dbraw/zinc/71/09/54/1137710954.db2.gz YWGQFLXPKFUXRZ-UHFFFAOYSA-N 1 2 335.872 3.514 20 0 EHADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338212 1137711506 /nfs/dbraw/zinc/71/15/06/1137711506.db2.gz YNEIUHHMPUANEE-KGLIPLIRSA-N 1 2 326.227 3.587 20 0 EHADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000878338212 1137711507 /nfs/dbraw/zinc/71/15/07/1137711507.db2.gz YNEIUHHMPUANEE-KGLIPLIRSA-N 1 2 326.227 3.587 20 0 EHADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000878345702 1137711676 /nfs/dbraw/zinc/71/16/76/1137711676.db2.gz AJTLLZQEWXQCBR-CYBMUJFWSA-N 1 2 342.468 3.711 20 0 EHADLO Clc1cncc(Cl)c1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000878542612 1137719567 /nfs/dbraw/zinc/71/95/67/1137719567.db2.gz OSWXBYOOOPIHJF-CYBMUJFWSA-N 1 2 338.238 3.575 20 0 EHADLO Clc1cncc(Cl)c1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000878542612 1137719568 /nfs/dbraw/zinc/71/95/68/1137719568.db2.gz OSWXBYOOOPIHJF-CYBMUJFWSA-N 1 2 338.238 3.575 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878552664 1137719882 /nfs/dbraw/zinc/71/98/82/1137719882.db2.gz JINVNUKWLXSNIM-HUUCEWRRSA-N 1 2 343.858 3.860 20 0 EHADLO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878552664 1137719883 /nfs/dbraw/zinc/71/98/83/1137719883.db2.gz JINVNUKWLXSNIM-HUUCEWRRSA-N 1 2 343.858 3.860 20 0 EHADLO CC1(C)CCc2onc(C[NH2+][C@@]3(CO)CCCc4ccccc43)c2C1 ZINC000878554666 1137719987 /nfs/dbraw/zinc/71/99/87/1137719987.db2.gz HLJWLWXHBHTMEB-OAQYLSRUSA-N 1 2 340.467 3.503 20 0 EHADLO CC[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)c1ccc(C)cc1 ZINC000878613771 1137722302 /nfs/dbraw/zinc/72/23/02/1137722302.db2.gz WMINEQJNPUNRQQ-GUYCJALGSA-N 1 2 347.409 3.760 20 0 EHADLO C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616767 1137722564 /nfs/dbraw/zinc/72/25/64/1137722564.db2.gz SBVZLNXHTXPYTE-HRCADAONSA-N 1 2 347.459 3.550 20 0 EHADLO C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616767 1137722565 /nfs/dbraw/zinc/72/25/65/1137722565.db2.gz SBVZLNXHTXPYTE-HRCADAONSA-N 1 2 347.459 3.550 20 0 EHADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000878822792 1137729243 /nfs/dbraw/zinc/72/92/43/1137729243.db2.gz FCTGWYXUSAFKRZ-UHFFFAOYSA-N 1 2 332.407 3.570 20 0 EHADLO C[N@H+](CCc1ccc(C(N)=O)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000879064804 1137736730 /nfs/dbraw/zinc/73/67/30/1137736730.db2.gz PELDWHIPAJDCFV-GOSISDBHSA-N 1 2 346.421 3.526 20 0 EHADLO C[N@@H+](CCc1ccc(C(N)=O)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000879064804 1137736731 /nfs/dbraw/zinc/73/67/31/1137736731.db2.gz PELDWHIPAJDCFV-GOSISDBHSA-N 1 2 346.421 3.526 20 0 EHADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2F)C[C@H]1n1cc[nH+]c1 ZINC000879152545 1137739545 /nfs/dbraw/zinc/73/95/45/1137739545.db2.gz QZUFYVJPEGPMMV-AUUYWEPGSA-N 1 2 337.398 3.899 20 0 EHADLO CCS[C@H](C)c1noc(CSCc2cc[nH+]c(N(C)C)c2)n1 ZINC000127708314 1137746042 /nfs/dbraw/zinc/74/60/42/1137746042.db2.gz JBNPOPQUZFVFGZ-LLVKDONJSA-N 1 2 338.502 3.778 20 0 EHADLO CC(C)(C)OC1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000879449101 1137747962 /nfs/dbraw/zinc/74/79/62/1137747962.db2.gz JGMZPJMQOKPZEA-UHFFFAOYSA-N 1 2 330.432 3.582 20 0 EHADLO CC(C)(C)Sc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1F ZINC000879734140 1137757099 /nfs/dbraw/zinc/75/70/99/1137757099.db2.gz HBWZMYRWRVPSBP-GFCCVEGCSA-N 1 2 348.447 3.659 20 0 EHADLO c1ccc([C@H]2CSCCC[N@H+]2Cc2nc(CC3CC3)no2)cc1 ZINC000880389126 1137777719 /nfs/dbraw/zinc/77/77/19/1137777719.db2.gz RTPSNOUIIAGAKD-MRXNPFEDSA-N 1 2 329.469 3.702 20 0 EHADLO c1ccc([C@H]2CSCCC[N@@H+]2Cc2nc(CC3CC3)no2)cc1 ZINC000880389126 1137777720 /nfs/dbraw/zinc/77/77/20/1137777720.db2.gz RTPSNOUIIAGAKD-MRXNPFEDSA-N 1 2 329.469 3.702 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(-c2cccs2)on1)n1cc[nH+]c1 ZINC000880431792 1137778424 /nfs/dbraw/zinc/77/84/24/1137778424.db2.gz GECGKWXIMPZRGD-GFCCVEGCSA-N 1 2 330.413 3.826 20 0 EHADLO Cc1c[nH+]c2cc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)ccn12 ZINC000888826689 1137782332 /nfs/dbraw/zinc/78/23/32/1137782332.db2.gz GLWNVKGNWWKRQR-GFCCVEGCSA-N 1 2 327.350 3.692 20 0 EHADLO O=C(Nc1ccc(C2CC2)cc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000880744517 1137787817 /nfs/dbraw/zinc/78/78/17/1137787817.db2.gz PCXOHUZFTZTIFW-OAHLLOKOSA-N 1 2 328.391 3.769 20 0 EHADLO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128656576 1137791355 /nfs/dbraw/zinc/79/13/55/1137791355.db2.gz AICRZLXPGMUFJD-RXXLQFRUSA-N 1 2 342.826 3.818 20 0 EHADLO COc1ccc(C2CC2)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000880866079 1137792232 /nfs/dbraw/zinc/79/22/32/1137792232.db2.gz QNQLNPCPVLBXAA-AWEZNQCLSA-N 1 2 340.427 3.707 20 0 EHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000881170412 1137802445 /nfs/dbraw/zinc/80/24/45/1137802445.db2.gz PYWFFPARXGMHSJ-GXFFZTMASA-N 1 2 344.312 3.666 20 0 EHADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[C@@H]1CCCC1(F)F ZINC000881585389 1137810779 /nfs/dbraw/zinc/81/07/79/1137810779.db2.gz AHPGVQZCEZHBMI-HOTGVXAUSA-N 1 2 347.409 3.873 20 0 EHADLO CCOC(=O)c1sc(C2CCN(c3cc[nH+]cc3F)CC2)nc1C ZINC000882705208 1137832134 /nfs/dbraw/zinc/83/21/34/1137832134.db2.gz NXABMABOMTWHRF-UHFFFAOYSA-N 1 2 349.431 3.546 20 0 EHADLO Cc1ccc(CCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000882871571 1137836200 /nfs/dbraw/zinc/83/62/00/1137836200.db2.gz JTZDXLDUMRGVIT-SFHVURJKSA-N 1 2 339.464 3.743 20 0 EHADLO CC(C)CCSCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873588 1137836389 /nfs/dbraw/zinc/83/63/89/1137836389.db2.gz DZMJJHRVAQSBBW-QGZVFWFLSA-N 1 2 331.485 3.520 20 0 EHADLO CCCCS[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873664 1137836393 /nfs/dbraw/zinc/83/63/93/1137836393.db2.gz GZPAXJZIFFPUQB-RDJZCZTQSA-N 1 2 331.485 3.662 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000882873660 1137836410 /nfs/dbraw/zinc/83/64/10/1137836410.db2.gz GXJFJFXLLQSRJW-SFTDATJTSA-N 1 2 345.446 3.861 20 0 EHADLO CCOc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1OC(F)F ZINC000883037938 1137842382 /nfs/dbraw/zinc/84/23/82/1137842382.db2.gz QMJXBWPMMVLZPN-UHFFFAOYSA-N 1 2 339.386 3.823 20 0 EHADLO CC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(OC)c(OC)c1 ZINC000883313457 1137854239 /nfs/dbraw/zinc/85/42/39/1137854239.db2.gz DLGCBZOEMJVMAH-HNNXBMFYSA-N 1 2 327.428 3.614 20 0 EHADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883384019 1137858530 /nfs/dbraw/zinc/85/85/30/1137858530.db2.gz KJWHKVXJHYEHHL-OXQOHEQNSA-N 1 2 345.414 3.828 20 0 EHADLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c(OC)c1OC ZINC000883383568 1137858582 /nfs/dbraw/zinc/85/85/82/1137858582.db2.gz AYPURODUSDXOMT-SJLPKXTDSA-N 1 2 345.414 3.828 20 0 EHADLO COCCOc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883382988 1137858632 /nfs/dbraw/zinc/85/86/32/1137858632.db2.gz RENVEPGBQPIOSB-QUCCMNQESA-N 1 2 329.415 3.827 20 0 EHADLO C[C@H]([NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cscn1 ZINC000883385202 1137858810 /nfs/dbraw/zinc/85/88/10/1137858810.db2.gz HIJCZERSMFIBIN-DZGCQCFKSA-N 1 2 330.453 3.867 20 0 EHADLO Cc1noc(COc2ccc(NCc3c[nH+]c4c(C)cccn34)cc2)n1 ZINC000132170146 1137863622 /nfs/dbraw/zinc/86/36/22/1137863622.db2.gz ASZHRLNYSFGACV-UHFFFAOYSA-N 1 2 349.394 3.525 20 0 EHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H](C1CC1)C1CCC1 ZINC000883737694 1137868593 /nfs/dbraw/zinc/86/85/93/1137868593.db2.gz HPMMKGJVVFVKMG-RBUKOAKNSA-N 1 2 338.455 3.502 20 0 EHADLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000358399134 1137872530 /nfs/dbraw/zinc/87/25/30/1137872530.db2.gz KJEHGUDEDZVQSK-BDAKNGLRSA-N 1 2 347.303 3.660 20 0 EHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4occc4[nH]3)n2)C1 ZINC000132951586 1137872928 /nfs/dbraw/zinc/87/29/28/1137872928.db2.gz UFPOXEVEXKKXLQ-LLVKDONJSA-N 1 2 344.440 3.702 20 0 EHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4occc4[nH]3)n2)C1 ZINC000132951586 1137872929 /nfs/dbraw/zinc/87/29/29/1137872929.db2.gz UFPOXEVEXKKXLQ-LLVKDONJSA-N 1 2 344.440 3.702 20 0 EHADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc2ccccc2o1 ZINC000103299801 1137875895 /nfs/dbraw/zinc/87/58/95/1137875895.db2.gz WTDSWBJXKZMGCK-CQSZACIVSA-N 1 2 338.411 3.737 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348247241 1137876339 /nfs/dbraw/zinc/87/63/39/1137876339.db2.gz NSZGGBDKVZPSTB-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348247241 1137876340 /nfs/dbraw/zinc/87/63/40/1137876340.db2.gz NSZGGBDKVZPSTB-FXPVBKGRSA-N 1 2 336.304 3.565 20 0 EHADLO C=C/C=C\CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000883914869 1137879341 /nfs/dbraw/zinc/87/93/41/1137879341.db2.gz BQPZVMNFRQICRQ-IFEVLTCRSA-N 1 2 336.439 3.543 20 0 EHADLO Cc1ccc(-c2nc(CN(C)CCCn3cc[nH+]c3C)cs2)o1 ZINC000348257978 1137885592 /nfs/dbraw/zinc/88/55/92/1137885592.db2.gz USRCQCKMEHBGPS-UHFFFAOYSA-N 1 2 330.457 3.739 20 0 EHADLO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000108393822 1137889544 /nfs/dbraw/zinc/88/95/44/1137889544.db2.gz RZOYRTFEOWSTAP-CQSZACIVSA-N 1 2 342.842 3.699 20 0 EHADLO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000108393822 1137889545 /nfs/dbraw/zinc/88/95/45/1137889545.db2.gz RZOYRTFEOWSTAP-CQSZACIVSA-N 1 2 342.842 3.699 20 0 EHADLO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000108394357 1137889586 /nfs/dbraw/zinc/88/95/86/1137889586.db2.gz XYWXTARZNQYPFY-RDJZCZTQSA-N 1 2 348.487 3.686 20 0 EHADLO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000108394357 1137889587 /nfs/dbraw/zinc/88/95/87/1137889587.db2.gz XYWXTARZNQYPFY-RDJZCZTQSA-N 1 2 348.487 3.686 20 0 EHADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(CC)cc2)cs1 ZINC000111375882 1137904406 /nfs/dbraw/zinc/90/44/06/1137904406.db2.gz NBXYXISQKQGIEW-OLZOCXBDSA-N 1 2 331.485 3.946 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)on1 ZINC000331538422 1137911949 /nfs/dbraw/zinc/91/19/49/1137911949.db2.gz MLMNGQOFGNEZID-YOEHRIQHSA-N 1 2 347.846 3.627 20 0 EHADLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)on1 ZINC000331538422 1137911950 /nfs/dbraw/zinc/91/19/50/1137911950.db2.gz MLMNGQOFGNEZID-YOEHRIQHSA-N 1 2 347.846 3.627 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567836 1137912889 /nfs/dbraw/zinc/91/28/89/1137912889.db2.gz VRMZYJVTVANJHL-OCCSQVGLSA-N 1 2 333.457 3.825 20 0 EHADLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000331567836 1137912890 /nfs/dbraw/zinc/91/28/90/1137912890.db2.gz VRMZYJVTVANJHL-OCCSQVGLSA-N 1 2 333.457 3.825 20 0 EHADLO CC(C)(C)SCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000113722552 1137914534 /nfs/dbraw/zinc/91/45/34/1137914534.db2.gz QQALISHDVCKNPF-UHFFFAOYSA-N 1 2 347.484 3.601 20 0 EHADLO COc1cccc2c1CC[C@H]2NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000332076907 1137930993 /nfs/dbraw/zinc/93/09/93/1137930993.db2.gz XFTGCOBBPWNFEQ-MRXNPFEDSA-N 1 2 325.412 3.824 20 0 EHADLO Cc1cccc(F)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001202709663 1137937849 /nfs/dbraw/zinc/93/78/49/1137937849.db2.gz SBNTTXMIFPBXFL-KRWDZBQOSA-N 1 2 338.386 3.894 20 0 EHADLO CCc1ccc(CC)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332353249 1137941047 /nfs/dbraw/zinc/94/10/47/1137941047.db2.gz BMDUKXRKHQLHEI-UHFFFAOYSA-N 1 2 326.444 3.946 20 0 EHADLO Cc1c(F)c(F)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000332414862 1137943308 /nfs/dbraw/zinc/94/33/08/1137943308.db2.gz LRBAZRNNWWKZNS-NHYWBVRUSA-N 1 2 334.370 3.585 20 0 EHADLO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008646 1137946073 /nfs/dbraw/zinc/94/60/73/1137946073.db2.gz GLNDKZIQWFZYJM-HIFRSBDPSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000120008646 1137946074 /nfs/dbraw/zinc/94/60/74/1137946074.db2.gz GLNDKZIQWFZYJM-HIFRSBDPSA-N 1 2 344.484 3.801 20 0 EHADLO Cc1cc(C)c(NC(=O)c2ccc(OC3CCOCC3)cc2)c(C)[nH+]1 ZINC000332517659 1137946167 /nfs/dbraw/zinc/94/61/67/1137946167.db2.gz IFWMGHOQKDENAR-UHFFFAOYSA-N 1 2 340.423 3.817 20 0 EHADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000333132638 1137956246 /nfs/dbraw/zinc/95/62/46/1137956246.db2.gz DYWPNSYDBNKQBS-YGTYGHESSA-N 1 2 333.476 3.924 20 0 EHADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1 ZINC000333132638 1137956247 /nfs/dbraw/zinc/95/62/47/1137956247.db2.gz DYWPNSYDBNKQBS-YGTYGHESSA-N 1 2 333.476 3.924 20 0 EHADLO CCn1ccnc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000135492623 1137971115 /nfs/dbraw/zinc/97/11/15/1137971115.db2.gz OJNOIYPQBNUFPO-OAQYLSRUSA-N 1 2 349.478 3.947 20 0 EHADLO CCn1ccnc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000135492623 1137971118 /nfs/dbraw/zinc/97/11/18/1137971118.db2.gz OJNOIYPQBNUFPO-OAQYLSRUSA-N 1 2 349.478 3.947 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885244480 1137991785 /nfs/dbraw/zinc/99/17/85/1137991785.db2.gz FPTRJJANSKCDQR-CKEIUWERSA-N 1 2 349.887 3.852 20 0 EHADLO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885244480 1137991786 /nfs/dbraw/zinc/99/17/86/1137991786.db2.gz FPTRJJANSKCDQR-CKEIUWERSA-N 1 2 349.887 3.852 20 0 EHADLO O=C(Nc1ccc(C(F)F)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000885580566 1138009833 /nfs/dbraw/zinc/00/98/33/1138009833.db2.gz BATHYENBUPRBCN-INIZCTEOSA-N 1 2 331.366 3.622 20 0 EHADLO O=C(Nc1ccc(C(F)F)cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000885580566 1138009836 /nfs/dbraw/zinc/00/98/36/1138009836.db2.gz BATHYENBUPRBCN-INIZCTEOSA-N 1 2 331.366 3.622 20 0 EHADLO CC(C)C[C@H](C(=O)Nc1cc(F)c(O)cc1Cl)n1cc[nH+]c1 ZINC000885680262 1138018348 /nfs/dbraw/zinc/01/83/48/1138018348.db2.gz NYAMDPRCIHWPHY-CYBMUJFWSA-N 1 2 325.771 3.607 20 0 EHADLO OC1CC[NH+](c2ccc(NC/C=C/c3cccc(F)c3)cc2)CC1 ZINC000885933369 1138026364 /nfs/dbraw/zinc/02/63/64/1138026364.db2.gz RSQNAXBZBRDIIW-DUXPYHPUSA-N 1 2 326.415 3.912 20 0 EHADLO Cc1ccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c(C)c1 ZINC000886305744 1138066246 /nfs/dbraw/zinc/06/62/46/1138066246.db2.gz PMROFFOEMLBTPO-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO Cc1ccc(C)c(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c1 ZINC000886305902 1138066472 /nfs/dbraw/zinc/06/64/72/1138066472.db2.gz TYLMBUIKYHQMHS-UHFFFAOYSA-N 1 2 325.387 3.706 20 0 EHADLO Cc1cc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c(C)s1 ZINC000886304006 1138066482 /nfs/dbraw/zinc/06/64/82/1138066482.db2.gz LJYWAVGIMDEOKS-UHFFFAOYSA-N 1 2 331.416 3.768 20 0 EHADLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1ccco1 ZINC000061783467 1138067863 /nfs/dbraw/zinc/06/78/63/1138067863.db2.gz XUPGLJDRKWATIK-UHFFFAOYSA-N 1 2 338.407 3.533 20 0 EHADLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1ccco1 ZINC000061783467 1138067867 /nfs/dbraw/zinc/06/78/67/1138067867.db2.gz XUPGLJDRKWATIK-UHFFFAOYSA-N 1 2 338.407 3.533 20 0 EHADLO Cc1noc(C2CC[NH+](Cc3csc(CCC(C)C)n3)CC2)n1 ZINC000065041264 1138072816 /nfs/dbraw/zinc/07/28/16/1138072816.db2.gz OQNNBFMEVVLMEJ-UHFFFAOYSA-N 1 2 334.489 3.803 20 0 EHADLO COC(=O)c1cncc([C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000886521071 1138089161 /nfs/dbraw/zinc/08/91/61/1138089161.db2.gz TVKNDNFCSCOXSH-YOEHRIQHSA-N 1 2 346.427 3.526 20 0 EHADLO CCOC(=O)c1nc(C[N@@H+]2CC[C@H](C)[C@H]2c2ccccc2)cs1 ZINC000886544817 1138093851 /nfs/dbraw/zinc/09/38/51/1138093851.db2.gz BFCNBRAQDLYJRN-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CCOC(=O)c1nc(C[N@H+]2CC[C@H](C)[C@H]2c2ccccc2)cs1 ZINC000886544817 1138093852 /nfs/dbraw/zinc/09/38/52/1138093852.db2.gz BFCNBRAQDLYJRN-BBRMVZONSA-N 1 2 330.453 3.903 20 0 EHADLO CCC[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000071089400 1138097433 /nfs/dbraw/zinc/09/74/33/1138097433.db2.gz OCOACLBBZUDGHC-UHFFFAOYSA-N 1 2 345.834 3.536 20 0 EHADLO CCC[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000071089400 1138097435 /nfs/dbraw/zinc/09/74/35/1138097435.db2.gz OCOACLBBZUDGHC-UHFFFAOYSA-N 1 2 345.834 3.536 20 0 EHADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(Br)ncc1F ZINC000886684842 1138115046 /nfs/dbraw/zinc/11/50/46/1138115046.db2.gz UGPCZPIMLBJSBR-QMMMGPOBSA-N 1 2 340.196 3.699 20 0 EHADLO C[C@H](NC(=O)N1CCn2cccc2[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876314 1138124863 /nfs/dbraw/zinc/12/48/63/1138124863.db2.gz XXPHGKTXTFNTOH-JKSUJKDBSA-N 1 2 349.438 3.521 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000886721909 1138125641 /nfs/dbraw/zinc/12/56/41/1138125641.db2.gz OFPNEUYEAGJJFX-UHFFFAOYSA-N 1 2 346.402 3.644 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000886724184 1138125917 /nfs/dbraw/zinc/12/59/17/1138125917.db2.gz ZCIBBNNKRNPRAH-UHFFFAOYSA-N 1 2 346.402 3.644 20 0 EHADLO CC(C)OC(=O)C1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000886732795 1138128408 /nfs/dbraw/zinc/12/84/08/1138128408.db2.gz RBXDONYSLARVJN-UHFFFAOYSA-N 1 2 346.402 3.644 20 0 EHADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)c1C ZINC000075996395 1138129367 /nfs/dbraw/zinc/12/93/67/1138129367.db2.gz GOOOOOLRUNBMCS-CYBMUJFWSA-N 1 2 328.378 3.905 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000886792377 1138141521 /nfs/dbraw/zinc/14/15/21/1138141521.db2.gz XCLRHVFVDRCMCK-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000886792377 1138141522 /nfs/dbraw/zinc/14/15/22/1138141522.db2.gz XCLRHVFVDRCMCK-LBPRGKRZSA-N 1 2 328.161 3.740 20 0 EHADLO COC[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(C)o1 ZINC000080238564 1138161639 /nfs/dbraw/zinc/16/16/39/1138161639.db2.gz QRKQJMKXMPPQDL-NSHDSACASA-N 1 2 330.247 3.889 20 0 EHADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1nnnn1C1CCCCC1 ZINC000886927406 1138173194 /nfs/dbraw/zinc/17/31/94/1138173194.db2.gz FHCVBNHDJIJJQQ-YVEFUNNKSA-N 1 2 329.423 3.656 20 0 EHADLO C[C@H]([NH2+]Cc1ncnn1CCF)c1cccc(SC(F)(F)F)c1 ZINC000886931610 1138173414 /nfs/dbraw/zinc/17/34/14/1138173414.db2.gz VIYTYNUVIMVMPH-JTQLQIEISA-N 1 2 348.369 3.710 20 0 EHADLO CC[C@@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000084166730 1138178624 /nfs/dbraw/zinc/17/86/24/1138178624.db2.gz AAEKCSBHSCZVAO-OAHLLOKOSA-N 1 2 339.361 3.602 20 0 EHADLO C[N@H+](Cc1cnccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137232355 1138182084 /nfs/dbraw/zinc/18/20/84/1138182084.db2.gz MQEBSFPGNHHZSO-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO C[N@@H+](Cc1cnccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137232355 1138182086 /nfs/dbraw/zinc/18/20/86/1138182086.db2.gz MQEBSFPGNHHZSO-CQSZACIVSA-N 1 2 339.867 3.566 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233014 1138185902 /nfs/dbraw/zinc/18/59/02/1138185902.db2.gz FWERVVCDGONIFU-CQSZACIVSA-N 1 2 328.412 3.761 20 0 EHADLO COc1ccc(C)cc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233014 1138185903 /nfs/dbraw/zinc/18/59/03/1138185903.db2.gz FWERVVCDGONIFU-CQSZACIVSA-N 1 2 328.412 3.761 20 0 EHADLO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)no1 ZINC000088603918 1138195059 /nfs/dbraw/zinc/19/50/59/1138195059.db2.gz PBAXQHIASLDWMT-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)no1 ZINC000088603918 1138195061 /nfs/dbraw/zinc/19/50/61/1138195061.db2.gz PBAXQHIASLDWMT-QGZVFWFLSA-N 1 2 328.437 3.780 20 0 EHADLO Cc1ccc(OCc2nc(C[N@@H+](C)[C@@H]3CCSC3)cs2)cc1 ZINC000089936839 1138207977 /nfs/dbraw/zinc/20/79/77/1138207977.db2.gz DXRRPAFWNLHRFH-OAHLLOKOSA-N 1 2 334.510 3.968 20 0 EHADLO Cc1ccc(OCc2nc(C[N@H+](C)[C@@H]3CCSC3)cs2)cc1 ZINC000089936839 1138207979 /nfs/dbraw/zinc/20/79/79/1138207979.db2.gz DXRRPAFWNLHRFH-OAHLLOKOSA-N 1 2 334.510 3.968 20 0 EHADLO C[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2n1C ZINC000091288379 1138218102 /nfs/dbraw/zinc/21/81/02/1138218102.db2.gz TYBPHRONCGMPCP-LIRRHRJNSA-N 1 2 340.446 3.666 20 0 EHADLO CCCCCOc1ccc([C@H]([NH2+]Cc2ncn(C)n2)C2CC2)cc1 ZINC000091409981 1138219136 /nfs/dbraw/zinc/21/91/36/1138219136.db2.gz PWYDJIJAAZNXRC-LJQANCHMSA-N 1 2 328.460 3.625 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729335 1138231065 /nfs/dbraw/zinc/23/10/65/1138231065.db2.gz JRJDJEAVZNDRPJ-INIZCTEOSA-N 1 2 325.391 3.666 20 0 EHADLO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729335 1138231069 /nfs/dbraw/zinc/23/10/69/1138231069.db2.gz JRJDJEAVZNDRPJ-INIZCTEOSA-N 1 2 325.391 3.666 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000093532490 1138238288 /nfs/dbraw/zinc/23/82/88/1138238288.db2.gz QWBTVGYDJAAKAR-UHFFFAOYSA-N 1 2 341.251 3.732 20 0 EHADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000093532490 1138238289 /nfs/dbraw/zinc/23/82/89/1138238289.db2.gz QWBTVGYDJAAKAR-UHFFFAOYSA-N 1 2 341.251 3.732 20 0 EHADLO CC(C)Cc1ncc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)s1 ZINC000093713357 1138240363 /nfs/dbraw/zinc/24/03/63/1138240363.db2.gz UEKNGELHMTWUMD-JOCHJYFZSA-N 1 2 336.526 3.711 20 0 EHADLO CC(C)Cc1ncc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)s1 ZINC000093713357 1138240365 /nfs/dbraw/zinc/24/03/65/1138240365.db2.gz UEKNGELHMTWUMD-JOCHJYFZSA-N 1 2 336.526 3.711 20 0 EHADLO CC(C)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)no1 ZINC000121689227 1138248592 /nfs/dbraw/zinc/24/85/92/1138248592.db2.gz OSUUJNAMSRQEMM-UHFFFAOYSA-N 1 2 342.443 3.503 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)c2ccccc2)s1 ZINC000121989664 1138253409 /nfs/dbraw/zinc/25/34/09/1138253409.db2.gz BYXRCSKDCHUABI-CQSZACIVSA-N 1 2 331.485 3.670 20 0 EHADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)c2ccccc2)s1 ZINC000121989664 1138253411 /nfs/dbraw/zinc/25/34/11/1138253411.db2.gz BYXRCSKDCHUABI-CQSZACIVSA-N 1 2 331.485 3.670 20 0 EHADLO Cc1cc(CCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000122808254 1138262474 /nfs/dbraw/zinc/26/24/74/1138262474.db2.gz VZPSMTBWFPUNLY-RDTXWAMCSA-N 1 2 345.512 3.994 20 0 EHADLO C[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000124117597 1138279472 /nfs/dbraw/zinc/27/94/72/1138279472.db2.gz OAFURZCOWBOUMM-BONVTDFDSA-N 1 2 339.773 3.538 20 0 EHADLO CCSCc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124713674 1138293135 /nfs/dbraw/zinc/29/31/35/1138293135.db2.gz AYOMKLRYRVABRP-YJBOKZPZSA-N 1 2 343.496 3.860 20 0 EHADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125333054 1138305986 /nfs/dbraw/zinc/30/59/86/1138305986.db2.gz RMTLVHMRZHBWQT-YZGWKJHDSA-N 1 2 339.483 3.808 20 0 EHADLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125415526 1138308118 /nfs/dbraw/zinc/30/81/18/1138308118.db2.gz WWQXPGZWAWUAFL-MAUKXSAKSA-N 1 2 325.456 3.904 20 0 EHADLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1C ZINC000126160420 1138325450 /nfs/dbraw/zinc/32/54/50/1138325450.db2.gz DSZNAACHGSOEFY-UHFFFAOYSA-N 1 2 338.451 3.696 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000126292236 1138328045 /nfs/dbraw/zinc/32/80/45/1138328045.db2.gz KZMMLBGPZREDKH-ZSUOFZKHSA-N 1 2 346.434 3.554 20 0 EHADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126371018 1138329761 /nfs/dbraw/zinc/32/97/61/1138329761.db2.gz ZKLUZWOUYRGXCN-GPPYNADXSA-N 1 2 329.831 3.659 20 0 EHADLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C2CCCCC2)n1 ZINC000263685450 1138342635 /nfs/dbraw/zinc/34/26/35/1138342635.db2.gz BABCXABLNMEYBU-UHFFFAOYSA-N 1 2 349.438 3.906 20 0 EHADLO O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263724815 1138350273 /nfs/dbraw/zinc/35/02/73/1138350273.db2.gz SMHGUCOTPKNJAH-UHFFFAOYSA-N 1 2 338.333 3.840 20 0 EHADLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263752338 1138356911 /nfs/dbraw/zinc/35/69/11/1138356911.db2.gz FTSJWFVCGOWZBP-INIZCTEOSA-N 1 2 344.846 3.640 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c(Cl)c1 ZINC000127588875 1138363449 /nfs/dbraw/zinc/36/34/49/1138363449.db2.gz SODYVSUBDCDJEK-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c(Cl)c1 ZINC000127588875 1138363451 /nfs/dbraw/zinc/36/34/51/1138363451.db2.gz SODYVSUBDCDJEK-CQSZACIVSA-N 1 2 331.847 3.983 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334069286 1138367801 /nfs/dbraw/zinc/36/78/01/1138367801.db2.gz FYBBJUSRTRJSSF-IRXDYDNUSA-N 1 2 330.476 3.515 20 0 EHADLO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334069286 1138367806 /nfs/dbraw/zinc/36/78/06/1138367806.db2.gz FYBBJUSRTRJSSF-IRXDYDNUSA-N 1 2 330.476 3.515 20 0 EHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1=CCCCC1 ZINC000129019006 1138402805 /nfs/dbraw/zinc/40/28/05/1138402805.db2.gz OLPZREVVXCCJOY-UHFFFAOYSA-N 1 2 327.472 3.647 20 0 EHADLO COc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)c3ccccc3)co2)cc1 ZINC000264013923 1138405837 /nfs/dbraw/zinc/40/58/37/1138405837.db2.gz JUMPQSMKHOGMRS-IBGZPJMESA-N 1 2 338.407 3.516 20 0 EHADLO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](CO)c3ccccc3)co2)cc1 ZINC000264013923 1138405838 /nfs/dbraw/zinc/40/58/38/1138405838.db2.gz JUMPQSMKHOGMRS-IBGZPJMESA-N 1 2 338.407 3.516 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@H+](C)[C@H](CCO)c2ccccc2)cs1 ZINC000336870946 1138418360 /nfs/dbraw/zinc/41/83/60/1138418360.db2.gz KQGQQEUCXZXIMG-WMLDXEAASA-N 1 2 334.485 3.796 20 0 EHADLO CCO[C@@H](C)c1nc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cs1 ZINC000336870946 1138418362 /nfs/dbraw/zinc/41/83/62/1138418362.db2.gz KQGQQEUCXZXIMG-WMLDXEAASA-N 1 2 334.485 3.796 20 0 EHADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(CC(F)(F)F)no2)cc1 ZINC000336878940 1138419299 /nfs/dbraw/zinc/41/92/99/1138419299.db2.gz JYIVZZIXLSHZGW-CYBMUJFWSA-N 1 2 341.333 3.520 20 0 EHADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(CC(F)(F)F)no2)cc1 ZINC000336878940 1138419302 /nfs/dbraw/zinc/41/93/02/1138419302.db2.gz JYIVZZIXLSHZGW-CYBMUJFWSA-N 1 2 341.333 3.520 20 0 EHADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2csc(CC(=O)N(C)C)n2)c(C)c1 ZINC000264283014 1138463640 /nfs/dbraw/zinc/46/36/40/1138463640.db2.gz PHKLQMCQAMBLQY-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2csc(CC(=O)N(C)C)n2)c(C)c1 ZINC000264283014 1138463641 /nfs/dbraw/zinc/46/36/41/1138463641.db2.gz PHKLQMCQAMBLQY-OAHLLOKOSA-N 1 2 345.512 3.584 20 0 EHADLO C[C@H](c1cccc(NC(=O)c2cc(F)ccc2F)c1)[NH+]1CCOCC1 ZINC000264306529 1138470017 /nfs/dbraw/zinc/47/00/17/1138470017.db2.gz YHRHLIWPJBACND-CYBMUJFWSA-N 1 2 346.377 3.610 20 0 EHADLO CC(C)n1nccc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000337134052 1138475084 /nfs/dbraw/zinc/47/50/84/1138475084.db2.gz MPSXXYGNWWQUCI-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000337134052 1138475087 /nfs/dbraw/zinc/47/50/87/1138475087.db2.gz MPSXXYGNWWQUCI-UHFFFAOYSA-N 1 2 327.350 3.995 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nc(C5CC5)no4)C3)nc2c1 ZINC000130826110 1138479055 /nfs/dbraw/zinc/47/90/55/1138479055.db2.gz UPQQZWGPDHNYIU-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc(C5CC5)no4)C3)nc2c1 ZINC000130826110 1138479057 /nfs/dbraw/zinc/47/90/57/1138479057.db2.gz UPQQZWGPDHNYIU-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc(C5CC5)no4)C3)[nH]c2c1 ZINC000130826110 1138479059 /nfs/dbraw/zinc/47/90/59/1138479059.db2.gz UPQQZWGPDHNYIU-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nc(C5CC5)no4)C3)[nH]c2c1 ZINC000130826110 1138479061 /nfs/dbraw/zinc/47/90/61/1138479061.db2.gz UPQQZWGPDHNYIU-CQSZACIVSA-N 1 2 337.427 3.511 20 0 EHADLO CCCCS[C@@H](C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337152988 1138480931 /nfs/dbraw/zinc/48/09/31/1138480931.db2.gz MZGAVYMNJJWZHC-HOTGVXAUSA-N 1 2 349.544 3.847 20 0 EHADLO CCCCS[C@H](C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337152987 1138481042 /nfs/dbraw/zinc/48/10/42/1138481042.db2.gz MZGAVYMNJJWZHC-CVEARBPZSA-N 1 2 349.544 3.847 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199503 1138493616 /nfs/dbraw/zinc/49/36/16/1138493616.db2.gz DQDWCEYHAWEENU-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000337199503 1138493617 /nfs/dbraw/zinc/49/36/17/1138493617.db2.gz DQDWCEYHAWEENU-AWEZNQCLSA-N 1 2 340.377 3.535 20 0 EHADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337229820 1138501643 /nfs/dbraw/zinc/50/16/43/1138501643.db2.gz VGZJBHRNVVWNCY-LBPRGKRZSA-N 1 2 349.841 3.683 20 0 EHADLO COc1cccc(C2(F)CC[NH+](Cc3cn4ccsc4n3)CC2)c1 ZINC000337241828 1138505492 /nfs/dbraw/zinc/50/54/92/1138505492.db2.gz GFJBZZAICKJSEN-UHFFFAOYSA-N 1 2 345.443 3.865 20 0 EHADLO Cc1ccc(C(C)C)c(OCCC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000337471116 1138578959 /nfs/dbraw/zinc/57/89/59/1138578959.db2.gz PNRLYRZNTDICOQ-UHFFFAOYSA-N 1 2 343.471 3.633 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000132607943 1138591509 /nfs/dbraw/zinc/59/15/09/1138591509.db2.gz ICGDUAQFXHAGET-UHFFFAOYSA-N 1 2 340.471 3.641 20 0 EHADLO O=C(c1csc2c1CCCC2)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337597698 1138616857 /nfs/dbraw/zinc/61/68/57/1138616857.db2.gz PTRUVKYHYBJXNU-KRWDZBQOSA-N 1 2 344.455 3.553 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337641078 1138630376 /nfs/dbraw/zinc/63/03/76/1138630376.db2.gz FTGGCBCBGXWWTP-NRFANRHFSA-N 1 2 348.446 3.905 20 0 EHADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000337641078 1138630378 /nfs/dbraw/zinc/63/03/78/1138630378.db2.gz FTGGCBCBGXWWTP-NRFANRHFSA-N 1 2 348.446 3.905 20 0 EHADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000337666853 1138638267 /nfs/dbraw/zinc/63/82/67/1138638267.db2.gz MRXRLUNLVMPARI-HUUCEWRRSA-N 1 2 332.398 3.792 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337673739 1138640584 /nfs/dbraw/zinc/64/05/84/1138640584.db2.gz KRUIDZZMPWIWNG-IFXJQAMLSA-N 1 2 349.434 3.642 20 0 EHADLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000337673739 1138640586 /nfs/dbraw/zinc/64/05/86/1138640586.db2.gz KRUIDZZMPWIWNG-IFXJQAMLSA-N 1 2 349.434 3.642 20 0 EHADLO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 ZINC000265012560 1138700777 /nfs/dbraw/zinc/70/07/77/1138700777.db2.gz OXVQFEZHKJGNHL-UHFFFAOYSA-N 1 2 349.438 3.566 20 0 EHADLO O=C(CCn1cc[nH+]c1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000338062618 1138737852 /nfs/dbraw/zinc/73/78/52/1138737852.db2.gz AJGJDOODXABEBU-HXUWFJFHSA-N 1 2 333.435 3.764 20 0 EHADLO COc1ccc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nc1 ZINC000338254972 1138802491 /nfs/dbraw/zinc/80/24/91/1138802491.db2.gz ZUKPIHDRCFTPHQ-HNNXBMFYSA-N 1 2 345.874 3.622 20 0 EHADLO c1ccc(CSc2cncc(NCCNc3cccc[nH+]3)n2)cc1 ZINC000338276062 1138812136 /nfs/dbraw/zinc/81/21/36/1138812136.db2.gz CGOXMXQWGMDAKT-UHFFFAOYSA-N 1 2 337.452 3.688 20 0 EHADLO COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000338287919 1138817246 /nfs/dbraw/zinc/81/72/46/1138817246.db2.gz OGHMSJCBXIMTHI-CYBMUJFWSA-N 1 2 346.862 3.724 20 0 EHADLO COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000338287919 1138817252 /nfs/dbraw/zinc/81/72/52/1138817252.db2.gz OGHMSJCBXIMTHI-CYBMUJFWSA-N 1 2 346.862 3.724 20 0 EHADLO CCO[C@H](C)c1nc(C[N@H+](C)CCCO[C@@H]2CCCCO2)cs1 ZINC000338314176 1138830007 /nfs/dbraw/zinc/83/00/07/1138830007.db2.gz IHEVFCGZYQOGFM-GDBMZVCRSA-N 1 2 342.505 3.606 20 0 EHADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCCO[C@@H]2CCCCO2)cs1 ZINC000338314176 1138830012 /nfs/dbraw/zinc/83/00/12/1138830012.db2.gz IHEVFCGZYQOGFM-GDBMZVCRSA-N 1 2 342.505 3.606 20 0 EHADLO CC1=C(c2ccco2)C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000338342287 1138842068 /nfs/dbraw/zinc/84/20/68/1138842068.db2.gz MFVDTNLOJQTMKE-CYBMUJFWSA-N 1 2 345.830 3.834 20 0 EHADLO CC1=C(c2ccco2)C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000338342287 1138842074 /nfs/dbraw/zinc/84/20/74/1138842074.db2.gz MFVDTNLOJQTMKE-CYBMUJFWSA-N 1 2 345.830 3.834 20 0 EHADLO Cc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000265401385 1138859348 /nfs/dbraw/zinc/85/93/48/1138859348.db2.gz YDEYFLPZJPZLOL-UHFFFAOYSA-N 1 2 336.439 3.518 20 0 EHADLO O=C(CCOc1ccccc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338380976 1138874437 /nfs/dbraw/zinc/87/44/37/1138874437.db2.gz RKVFUQRKKFJESH-UHFFFAOYSA-N 1 2 341.798 3.933 20 0 EHADLO CCc1noc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338393562 1138886167 /nfs/dbraw/zinc/88/61/67/1138886167.db2.gz UYPJQWRLMOOFBE-UHFFFAOYSA-N 1 2 330.775 3.637 20 0 EHADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2sc(C)nc2C)nc1C ZINC000348492777 1138943239 /nfs/dbraw/zinc/94/32/39/1138943239.db2.gz MATHTSIHVQQRCN-JTQLQIEISA-N 1 2 339.486 3.552 20 0 EHADLO CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151179947 1139015037 /nfs/dbraw/zinc/01/50/37/1139015037.db2.gz ZOVSWVRNKOBWTI-ZDUSSCGKSA-N 1 2 331.391 3.735 20 0 EHADLO C[C@@H]1CCN(C(=O)NCc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000152888543 1139112515 /nfs/dbraw/zinc/11/25/15/1139112515.db2.gz AZYPNJKZUVEONK-UZLBHIALSA-N 1 2 348.450 3.829 20 0 EHADLO Cc1ccc(CN(C)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000889548755 1139229801 /nfs/dbraw/zinc/22/98/01/1139229801.db2.gz MGSARSPQXQKRGB-WKILWMFISA-N 1 2 342.443 3.548 20 0 EHADLO Cc1[nH]c(CNC(=O)c2ccc(-c3ccccc3Cl)o2)[nH+]c1C ZINC001137260489 1139302923 /nfs/dbraw/zinc/30/29/23/1139302923.db2.gz HFZCGYJGAOBXIC-UHFFFAOYSA-N 1 2 329.787 3.870 20 0 EHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000890244925 1139328550 /nfs/dbraw/zinc/32/85/50/1139328550.db2.gz PUXNUNPNZIXMGY-OTWHNJEPSA-N 1 2 338.455 3.599 20 0 EHADLO CC(C)(NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000890247009 1139329766 /nfs/dbraw/zinc/32/97/66/1139329766.db2.gz RLGCXQHBUAWXQS-KRWDZBQOSA-N 1 2 326.444 3.502 20 0 EHADLO CC[C@H]1CCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890269165 1139335141 /nfs/dbraw/zinc/33/51/41/1139335141.db2.gz WLGVZYNYERYODX-ZWKOTPCHSA-N 1 2 326.444 3.599 20 0 EHADLO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)c1ccccc1Cl ZINC000173707589 1139372715 /nfs/dbraw/zinc/37/27/15/1139372715.db2.gz KCZYNQGQLNGOMK-OAHLLOKOSA-N 1 2 347.846 3.693 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448942 1139421175 /nfs/dbraw/zinc/42/11/75/1139421175.db2.gz VBWOBXKORXMVBZ-WBMJQRKESA-N 1 2 344.459 3.594 20 0 EHADLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000174448942 1139421176 /nfs/dbraw/zinc/42/11/76/1139421176.db2.gz VBWOBXKORXMVBZ-WBMJQRKESA-N 1 2 344.459 3.594 20 0 EHADLO CCO[C@@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1(CC)CC ZINC000777290271 1139472519 /nfs/dbraw/zinc/47/25/19/1139472519.db2.gz MNSVZHBKEHQAEF-HZPDHXFCSA-N 1 2 338.517 3.703 20 0 EHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000175266772 1139477608 /nfs/dbraw/zinc/47/76/08/1139477608.db2.gz RGSSCTVODQFNGG-UWVGGRQHSA-N 1 2 348.497 3.778 20 0 EHADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175266639 1139477800 /nfs/dbraw/zinc/47/78/00/1139477800.db2.gz UJUSKICIRHTKRU-STQMWFEESA-N 1 2 333.457 3.528 20 0 EHADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(F)c1 ZINC000176125462 1139541044 /nfs/dbraw/zinc/54/10/44/1139541044.db2.gz FNUYNIIXHXBQJT-UHFFFAOYSA-N 1 2 333.432 3.829 20 0 EHADLO Fc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)nc2)C2CC2)c(F)c1 ZINC000177259802 1139607654 /nfs/dbraw/zinc/60/76/54/1139607654.db2.gz OFCVESAPVZTCLI-UHFFFAOYSA-N 1 2 340.377 3.710 20 0 EHADLO Fc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C2CC2)c(F)c1 ZINC000177259802 1139607659 /nfs/dbraw/zinc/60/76/59/1139607659.db2.gz OFCVESAPVZTCLI-UHFFFAOYSA-N 1 2 340.377 3.710 20 0 EHADLO O=C(NCCCn1cc[nH+]c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000177429340 1139619317 /nfs/dbraw/zinc/61/93/17/1139619317.db2.gz CHQFDELXQKDOHR-IBGZPJMESA-N 1 2 338.455 3.525 20 0 EHADLO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000177517567 1139624606 /nfs/dbraw/zinc/62/46/06/1139624606.db2.gz UZWDGXCMMRQAKK-WBMJQRKESA-N 1 2 349.887 3.982 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000178725769 1139714356 /nfs/dbraw/zinc/71/43/56/1139714356.db2.gz ISNVUUZHTCPIIF-LLVKDONJSA-N 1 2 336.819 3.709 20 0 EHADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000178725769 1139714361 /nfs/dbraw/zinc/71/43/61/1139714361.db2.gz ISNVUUZHTCPIIF-LLVKDONJSA-N 1 2 336.819 3.709 20 0 EHADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000179159511 1139738605 /nfs/dbraw/zinc/73/86/05/1139738605.db2.gz CJGAJJOTXWBLKH-HNNXBMFYSA-N 1 2 340.452 3.713 20 0 EHADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000179159511 1139738610 /nfs/dbraw/zinc/73/86/10/1139738610.db2.gz CJGAJJOTXWBLKH-HNNXBMFYSA-N 1 2 340.452 3.713 20 0 EHADLO CCCCc1noc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)n1 ZINC000179617018 1139769682 /nfs/dbraw/zinc/76/96/82/1139769682.db2.gz ZXZZWRFEYNVYID-ZDUSSCGKSA-N 1 2 333.432 3.589 20 0 EHADLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(F)cc2c1OCOC2 ZINC000179784442 1139782772 /nfs/dbraw/zinc/78/27/72/1139782772.db2.gz ZMGFEKVQAHIEBV-UHFFFAOYSA-N 1 2 341.304 3.742 20 0 EHADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(F)cc2c1OCOC2 ZINC000179784442 1139782778 /nfs/dbraw/zinc/78/27/78/1139782778.db2.gz ZMGFEKVQAHIEBV-UHFFFAOYSA-N 1 2 341.304 3.742 20 0 EHADLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCO1 ZINC000179859848 1139789006 /nfs/dbraw/zinc/78/90/06/1139789006.db2.gz YACJIATXQAXDEN-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCO1 ZINC000179859848 1139789012 /nfs/dbraw/zinc/78/90/12/1139789012.db2.gz YACJIATXQAXDEN-CQSZACIVSA-N 1 2 344.842 3.813 20 0 EHADLO CCC[C@H]([NH2+]Cc1nc(COC)no1)c1cccc(C(F)(F)F)c1 ZINC000180249518 1139820825 /nfs/dbraw/zinc/82/08/25/1139820825.db2.gz JNTLZVCKOZKDSO-ZDUSSCGKSA-N 1 2 343.349 3.866 20 0 EHADLO COCc1noc(C[NH2+][C@H](c2oc3ccccc3c2C)C(C)C)n1 ZINC000180253114 1139821280 /nfs/dbraw/zinc/82/12/80/1139821280.db2.gz BAMPNGMNYUHYEI-KRWDZBQOSA-N 1 2 329.400 3.758 20 0 EHADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180284582 1139823851 /nfs/dbraw/zinc/82/38/51/1139823851.db2.gz WFGGNTBQLSILJX-YVEFUNNKSA-N 1 2 333.407 3.937 20 0 EHADLO Cc1cc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000180428815 1139834899 /nfs/dbraw/zinc/83/48/99/1139834899.db2.gz LQYFZHFEJDMPPS-SXLOBPIMSA-N 1 2 342.483 3.591 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000181005525 1139878537 /nfs/dbraw/zinc/87/85/37/1139878537.db2.gz MGLOLUINGIPSOS-KGLIPLIRSA-N 1 2 345.443 3.878 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000181005525 1139878546 /nfs/dbraw/zinc/87/85/46/1139878546.db2.gz MGLOLUINGIPSOS-KGLIPLIRSA-N 1 2 345.443 3.878 20 0 EHADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccccc2SC)n1 ZINC000777366574 1139881700 /nfs/dbraw/zinc/88/17/00/1139881700.db2.gz FROCOSSZVAVODU-UHFFFAOYSA-N 1 2 349.525 3.888 20 0 EHADLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000181092591 1139884973 /nfs/dbraw/zinc/88/49/73/1139884973.db2.gz XNOJGEZHTQISPU-CQSZACIVSA-N 1 2 348.406 3.852 20 0 EHADLO CC[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(OC)cc1 ZINC000181828357 1139934986 /nfs/dbraw/zinc/93/49/86/1139934986.db2.gz UHBUTWSYBIIMEC-SFHVURJKSA-N 1 2 337.423 3.910 20 0 EHADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404038 1139970041 /nfs/dbraw/zinc/97/00/41/1139970041.db2.gz XAGLQAXHJAYEGZ-HIFRSBDPSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000182404038 1139970045 /nfs/dbraw/zinc/97/00/45/1139970045.db2.gz XAGLQAXHJAYEGZ-HIFRSBDPSA-N 1 2 344.484 3.801 20 0 EHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000182494061 1139976253 /nfs/dbraw/zinc/97/62/53/1139976253.db2.gz SRPZLQNMASMQEI-CQSZACIVSA-N 1 2 325.412 3.882 20 0 EHADLO Cc1cc(N[C@@H](C)CC(=O)Nc2cccnc2Cl)ccc1[NH+](C)C ZINC000182851249 1139997795 /nfs/dbraw/zinc/99/77/95/1139997795.db2.gz UVVSBDLLVVWNDG-ZDUSSCGKSA-N 1 2 346.862 3.939 20 0 EHADLO C[NH+](C)[C@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000183293309 1140028348 /nfs/dbraw/zinc/02/83/48/1140028348.db2.gz NUCPJZGLZWKLPL-UYAOXDASSA-N 1 2 339.414 3.796 20 0 EHADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)c(C)o1 ZINC000183928907 1140066472 /nfs/dbraw/zinc/06/64/72/1140066472.db2.gz HXOCXNVRCXVRMN-UHFFFAOYSA-N 1 2 348.393 3.792 20 0 EHADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(C(F)F)cc1 ZINC000184452742 1140103275 /nfs/dbraw/zinc/10/32/75/1140103275.db2.gz ZAMPHUTVMKTORE-UHFFFAOYSA-N 1 2 348.397 3.711 20 0 EHADLO COC[C@@H]([NH2+]Cc1sccc1Br)c1ccc(C)o1 ZINC000184638291 1140113080 /nfs/dbraw/zinc/11/30/80/1140113080.db2.gz JYGQLVUGIYUDMS-LLVKDONJSA-N 1 2 330.247 3.889 20 0 EHADLO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862944 1140123307 /nfs/dbraw/zinc/12/33/07/1140123307.db2.gz RXNVYYUURACCGM-LSDHHAIUSA-N 1 2 329.444 3.687 20 0 EHADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)s1 ZINC000184981946 1140128992 /nfs/dbraw/zinc/12/89/92/1140128992.db2.gz JJHXTLVZPDMVRI-RYUDHWBXSA-N 1 2 337.876 3.633 20 0 EHADLO CC(C)Cn1c(SCCCn2cc[nH+]c2)nnc1-c1ccco1 ZINC000185382579 1140148129 /nfs/dbraw/zinc/14/81/29/1140148129.db2.gz XEQPIQCRCVBEIV-UHFFFAOYSA-N 1 2 331.445 3.573 20 0 EHADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186811290 1140222706 /nfs/dbraw/zinc/22/27/06/1140222706.db2.gz WLUREKIJMLQWFP-ZDUSSCGKSA-N 1 2 345.443 3.799 20 0 EHADLO Cc1cccn2cc(C[S@](=O)CCCCc3ccccc3)[nH+]c12 ZINC000187082444 1140237158 /nfs/dbraw/zinc/23/71/58/1140237158.db2.gz JOFBBVRBZNXFQD-HSZRJFAPSA-N 1 2 326.465 3.914 20 0 EHADLO C[C@H](C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187312633 1140249913 /nfs/dbraw/zinc/24/99/13/1140249913.db2.gz PVZKZKXILRSAEG-SNVBAGLBSA-N 1 2 344.768 3.570 20 0 EHADLO C[C@H](C[N@H+]1CCn2c(nnc2C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187312633 1140249915 /nfs/dbraw/zinc/24/99/15/1140249915.db2.gz PVZKZKXILRSAEG-SNVBAGLBSA-N 1 2 344.768 3.570 20 0 EHADLO OCCC[C@@H]([NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccccc1 ZINC000188061038 1140281842 /nfs/dbraw/zinc/28/18/42/1140281842.db2.gz ZEEVJGBVPXDSHJ-MOPGFXCFSA-N 1 2 339.414 3.742 20 0 EHADLO C[C@@H](CNC(=O)CCc1c[nH+]cn1C)c1c(Cl)cccc1Cl ZINC000188854202 1140310916 /nfs/dbraw/zinc/31/09/16/1140310916.db2.gz HHSOYLSPMRALMK-NSHDSACASA-N 1 2 340.254 3.579 20 0 EHADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)cs1 ZINC000189934377 1140372221 /nfs/dbraw/zinc/37/22/21/1140372221.db2.gz RYFSXHYWUUSEJD-QGZVFWFLSA-N 1 2 328.485 3.784 20 0 EHADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)cs1 ZINC000189934377 1140372230 /nfs/dbraw/zinc/37/22/30/1140372230.db2.gz RYFSXHYWUUSEJD-QGZVFWFLSA-N 1 2 328.485 3.784 20 0 EHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(C2CC2)cs1 ZINC000190436322 1140403570 /nfs/dbraw/zinc/40/35/70/1140403570.db2.gz FUJWVETVCSTNQB-UHFFFAOYSA-N 1 2 347.488 3.724 20 0 EHADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nccc(OC)c1OC ZINC000191044555 1140432945 /nfs/dbraw/zinc/43/29/45/1140432945.db2.gz CJJJOGZWMMCZLY-OAHLLOKOSA-N 1 2 330.428 3.738 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994212 1140497261 /nfs/dbraw/zinc/49/72/61/1140497261.db2.gz OFZNEXGOTRJFNN-KRWDZBQOSA-N 1 2 338.879 3.662 20 0 EHADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191994212 1140497262 /nfs/dbraw/zinc/49/72/62/1140497262.db2.gz OFZNEXGOTRJFNN-KRWDZBQOSA-N 1 2 338.879 3.662 20 0 EHADLO CCc1noc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192082827 1140501809 /nfs/dbraw/zinc/50/18/09/1140501809.db2.gz NSMAKBUGKBIBRS-XXLQHYSLSA-N 1 2 339.798 3.605 20 0 EHADLO Cc1cc(N2CCC(O)(c3ccccc3Cl)CC2)nc(C2CC2)[nH+]1 ZINC000192360426 1140526382 /nfs/dbraw/zinc/52/63/82/1140526382.db2.gz CLFXKWRZVBFNMQ-UHFFFAOYSA-N 1 2 343.858 3.804 20 0 EHADLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000192470872 1140534528 /nfs/dbraw/zinc/53/45/28/1140534528.db2.gz OEZPRTXJAXGWSD-MRXNPFEDSA-N 1 2 349.434 3.667 20 0 EHADLO CN(C)c1noc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)n1 ZINC000192780775 1140550921 /nfs/dbraw/zinc/55/09/21/1140550921.db2.gz FZKATFBIMUYZLQ-GOSISDBHSA-N 1 2 336.439 3.599 20 0 EHADLO CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(Br)cc2)n1 ZINC000192809328 1140551631 /nfs/dbraw/zinc/55/16/31/1140551631.db2.gz IAJVOIAKAZMRSE-LLVKDONJSA-N 1 2 338.249 3.881 20 0 EHADLO CC(C)Cc1ccc([C@@H](NC(=O)CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000193063489 1140562222 /nfs/dbraw/zinc/56/22/22/1140562222.db2.gz WOAJZCHSPNCFGK-OAQYLSRUSA-N 1 2 339.483 3.819 20 0 EHADLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccco2)s1 ZINC000194416827 1140608750 /nfs/dbraw/zinc/60/87/50/1140608750.db2.gz QNRDAKAIBWPSRV-UHFFFAOYSA-N 1 2 332.425 3.953 20 0 EHADLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc(-c2ccco2)s1 ZINC000194416827 1140608753 /nfs/dbraw/zinc/60/87/53/1140608753.db2.gz QNRDAKAIBWPSRV-UHFFFAOYSA-N 1 2 332.425 3.953 20 0 EHADLO CCC(C)(C)NC(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000195111793 1140630984 /nfs/dbraw/zinc/63/09/84/1140630984.db2.gz QUFYRJJIMPMJOJ-UHFFFAOYSA-N 1 2 336.439 3.865 20 0 EHADLO CC[C@@](C)(NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nc(C)cs1 ZINC000266365905 1140675505 /nfs/dbraw/zinc/67/55/05/1140675505.db2.gz AVHRLJRSKNTDIG-QGZVFWFLSA-N 1 2 343.456 3.855 20 0 EHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H](C)O1 ZINC000266836119 1140728241 /nfs/dbraw/zinc/72/82/41/1140728241.db2.gz MXKWZNFVAPDJPV-RLPRXVRJSA-N 1 2 342.483 3.671 20 0 EHADLO COC[C@H]([NH2+]Cc1cc2c(cc1SC)OCCO2)c1ccc(C)o1 ZINC000266934959 1140740590 /nfs/dbraw/zinc/74/05/90/1140740590.db2.gz AHWLKOSTDIMVKZ-AWEZNQCLSA-N 1 2 349.452 3.558 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000267370933 1140783269 /nfs/dbraw/zinc/78/32/69/1140783269.db2.gz RYEFETDTBAOKMS-KRWDZBQOSA-N 1 2 342.487 3.669 20 0 EHADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NC(C)(C)C ZINC000267370933 1140783274 /nfs/dbraw/zinc/78/32/74/1140783274.db2.gz RYEFETDTBAOKMS-KRWDZBQOSA-N 1 2 342.487 3.669 20 0 EHADLO CC(C)(C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267444263 1140791804 /nfs/dbraw/zinc/79/18/04/1140791804.db2.gz GLQOQSINQYUONZ-UHFFFAOYSA-N 1 2 342.443 3.999 20 0 EHADLO O=c1cc(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)occ1O ZINC000267604990 1140809214 /nfs/dbraw/zinc/80/92/14/1140809214.db2.gz MOAHYRFGEJGWFW-UHFFFAOYSA-N 1 2 335.350 3.568 20 0 EHADLO O=c1cc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)occ1O ZINC000267604990 1140809225 /nfs/dbraw/zinc/80/92/25/1140809225.db2.gz MOAHYRFGEJGWFW-UHFFFAOYSA-N 1 2 335.350 3.568 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274358618 1140817567 /nfs/dbraw/zinc/81/75/67/1140817567.db2.gz MLVBFOYXXOJCBW-CQSZACIVSA-N 1 2 344.421 3.586 20 0 EHADLO O=C([C@H]1CC12CCCCC2)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274358618 1140817575 /nfs/dbraw/zinc/81/75/75/1140817575.db2.gz MLVBFOYXXOJCBW-CQSZACIVSA-N 1 2 344.421 3.586 20 0 EHADLO COc1ccccc1[C@@H](C)[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000267735454 1140826600 /nfs/dbraw/zinc/82/66/00/1140826600.db2.gz ZRZLCCOXADNFDR-QKFKETGDSA-N 1 2 328.437 3.661 20 0 EHADLO CCC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000267796884 1140835922 /nfs/dbraw/zinc/83/59/22/1140835922.db2.gz PAMLBTBJLXTRGS-OAHLLOKOSA-N 1 2 331.460 3.534 20 0 EHADLO CCOCCC1(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCCC1 ZINC000268573346 1140957201 /nfs/dbraw/zinc/95/72/01/1140957201.db2.gz CIPRNNMBTQCPHL-UHFFFAOYSA-N 1 2 348.487 3.652 20 0 EHADLO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cncc(F)c1 ZINC000268805402 1140996060 /nfs/dbraw/zinc/99/60/60/1140996060.db2.gz CIPWRJJVVXSEAP-CQSZACIVSA-N 1 2 336.414 3.746 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000268809965 1140997356 /nfs/dbraw/zinc/99/73/56/1140997356.db2.gz DMBLKUOLWZCLER-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO Clc1ccc(Br)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000268809965 1140997359 /nfs/dbraw/zinc/99/73/59/1140997359.db2.gz DMBLKUOLWZCLER-CYBMUJFWSA-N 1 2 340.652 3.993 20 0 EHADLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000268998377 1141041215 /nfs/dbraw/zinc/04/12/15/1141041215.db2.gz SACSYCQVQYXMCW-LBPRGKRZSA-N 1 2 340.254 3.842 20 0 EHADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000269034913 1141052851 /nfs/dbraw/zinc/05/28/51/1141052851.db2.gz FIRVUAIXDIHTKF-STQMWFEESA-N 1 2 348.468 3.863 20 0 EHADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000269071726 1141060058 /nfs/dbraw/zinc/06/00/58/1141060058.db2.gz MYVWYDRBUZUROO-LBPRGKRZSA-N 1 2 335.473 3.838 20 0 EHADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cccs2)CCCCC1 ZINC000269110219 1141066072 /nfs/dbraw/zinc/06/60/72/1141066072.db2.gz BYEGHKOFNQGXJU-UHFFFAOYSA-N 1 2 331.485 3.695 20 0 EHADLO Cc1nc([C@@H](C)[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC000269414181 1141105546 /nfs/dbraw/zinc/10/55/46/1141105546.db2.gz JXIOYISZQVXPNV-SECBINFHSA-N 1 2 331.363 3.638 20 0 EHADLO Cc1nc(C)c(C[NH2+][C@H](C)c2ncc(Br)s2)s1 ZINC000270120364 1141181492 /nfs/dbraw/zinc/18/14/92/1141181492.db2.gz GSKFWWSRGNSCSL-SSDOTTSWSA-N 1 2 332.292 3.830 20 0 EHADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270599540 1141243329 /nfs/dbraw/zinc/24/33/29/1141243329.db2.gz DPFSIKSVBYUYMO-RDTXWAMCSA-N 1 2 338.455 3.622 20 0 EHADLO O=C(CCn1cc[nH+]c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000270730834 1141262999 /nfs/dbraw/zinc/26/29/99/1141262999.db2.gz HJYVSBDIXHRVIH-NRFANRHFSA-N 1 2 345.446 3.642 20 0 EHADLO CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccncc1 ZINC000270986435 1141290906 /nfs/dbraw/zinc/29/09/06/1141290906.db2.gz HKCKBYAACWUYGY-HXUWFJFHSA-N 1 2 343.446 3.556 20 0 EHADLO CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccncc1 ZINC000270986435 1141290909 /nfs/dbraw/zinc/29/09/09/1141290909.db2.gz HKCKBYAACWUYGY-HXUWFJFHSA-N 1 2 343.446 3.556 20 0 EHADLO CCCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271116849 1141309458 /nfs/dbraw/zinc/30/94/58/1141309458.db2.gz HVOKSTRKPABYDV-CQSZACIVSA-N 1 2 328.416 3.610 20 0 EHADLO CC[C@H]1CC[C@@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000271398139 1141357110 /nfs/dbraw/zinc/35/71/10/1141357110.db2.gz LAWFUWKCSWWPFA-WBVHZDCISA-N 1 2 330.476 3.544 20 0 EHADLO FC(F)(F)c1nn(Cc2ccn(C3CCCC3)n2)c2cc[nH+]cc21 ZINC000271401760 1141358993 /nfs/dbraw/zinc/35/89/93/1141358993.db2.gz IVWWVMUVXKMRRT-UHFFFAOYSA-N 1 2 335.333 3.810 20 0 EHADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000271471557 1141375955 /nfs/dbraw/zinc/37/59/55/1141375955.db2.gz GCHKHOIDBDTBQA-JTDSTZFVSA-N 1 2 345.487 3.875 20 0 EHADLO Cc1csc(C[NH2+][C@H](C)c2cc(Br)ncc2F)n1 ZINC000273817947 1141425806 /nfs/dbraw/zinc/42/58/06/1141425806.db2.gz CIJFNRRJOZXILB-MRVPVSSYSA-N 1 2 330.226 3.599 20 0 EHADLO C[C@@H](c1nc([C@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099664 1141474784 /nfs/dbraw/zinc/47/47/84/1141474784.db2.gz SSBMPJNJWKGAOZ-JJRVBVJISA-N 1 2 327.428 3.545 20 0 EHADLO C[C@@H](c1nc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1)C1CC1 ZINC000274099664 1141474788 /nfs/dbraw/zinc/47/47/88/1141474788.db2.gz SSBMPJNJWKGAOZ-JJRVBVJISA-N 1 2 327.428 3.545 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000348548635 1141550039 /nfs/dbraw/zinc/55/00/39/1141550039.db2.gz QUOCBCDFYMRGLT-IRXDYDNUSA-N 1 2 349.377 3.605 20 0 EHADLO Fc1cccc(F)c1-c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000348548635 1141550045 /nfs/dbraw/zinc/55/00/45/1141550045.db2.gz QUOCBCDFYMRGLT-IRXDYDNUSA-N 1 2 349.377 3.605 20 0 EHADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000348573057 1141553536 /nfs/dbraw/zinc/55/35/36/1141553536.db2.gz VFWMQRNMPNBKCK-WBVHZDCISA-N 1 2 343.496 3.636 20 0 EHADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000348573057 1141553541 /nfs/dbraw/zinc/55/35/41/1141553541.db2.gz VFWMQRNMPNBKCK-WBVHZDCISA-N 1 2 343.496 3.636 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348844742 1141595086 /nfs/dbraw/zinc/59/50/86/1141595086.db2.gz USWPPBHJDYKTQU-LBPRGKRZSA-N 1 2 348.368 3.514 20 0 EHADLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348844742 1141595089 /nfs/dbraw/zinc/59/50/89/1141595089.db2.gz USWPPBHJDYKTQU-LBPRGKRZSA-N 1 2 348.368 3.514 20 0 EHADLO CC(=O)NCc1ccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000348889809 1141604857 /nfs/dbraw/zinc/60/48/57/1141604857.db2.gz GZCOXERLRZGZFV-OAHLLOKOSA-N 1 2 334.423 3.682 20 0 EHADLO Cc1nn2c(C[N@@H+]3CCC[C@@H]3c3ccncc3)c(C(C)C)nc2s1 ZINC000348920589 1141609204 /nfs/dbraw/zinc/60/92/04/1141609204.db2.gz KUMJLADJGQVOAM-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1nn2c(C[N@H+]3CCC[C@@H]3c3ccncc3)c(C(C)C)nc2s1 ZINC000348920589 1141609207 /nfs/dbraw/zinc/60/92/07/1141609207.db2.gz KUMJLADJGQVOAM-OAHLLOKOSA-N 1 2 341.484 3.955 20 0 EHADLO Cc1c(COc2ccccc2)cccc1NC(=O)CCn1cc[nH+]c1 ZINC000349046433 1141628419 /nfs/dbraw/zinc/62/84/19/1141628419.db2.gz KJTBVCNQTVZPPR-UHFFFAOYSA-N 1 2 335.407 3.799 20 0 EHADLO Cc1cc(N[C@H](Cn2ccccc2=O)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000283471942 1141634550 /nfs/dbraw/zinc/63/45/50/1141634550.db2.gz JSFXDOBOFXJWRE-GOSISDBHSA-N 1 2 346.434 3.678 20 0 EHADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512259 212142786 /nfs/dbraw/zinc/14/27/86/212142786.db2.gz ZZJGJMVQEYCDED-UHFFFAOYSA-N 1 2 349.261 3.951 20 0 EHADLO Cn1cc[nH+]c1CNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000078488659 217061008 /nfs/dbraw/zinc/06/10/08/217061008.db2.gz CTRCACNPTIBRLP-ZDUSSCGKSA-N 1 2 331.485 3.563 20 0 EHADLO Cn1cc[nH+]c1CNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000078488658 217061130 /nfs/dbraw/zinc/06/11/30/217061130.db2.gz CTRCACNPTIBRLP-CYBMUJFWSA-N 1 2 331.485 3.563 20 0 EHADLO CC(C)(CO)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000536091929 478241101 /nfs/dbraw/zinc/24/11/01/478241101.db2.gz QWWJLTDUBCTSEU-KRWDZBQOSA-N 1 2 340.471 3.513 20 0 EHADLO CC(C)(CO)[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000536091929 478241106 /nfs/dbraw/zinc/24/11/06/478241106.db2.gz QWWJLTDUBCTSEU-KRWDZBQOSA-N 1 2 340.471 3.513 20 0 EHADLO CC(C)C[C@@H](C(=O)Nc1cc(-c2cccs2)[nH]n1)n1cc[nH+]c1 ZINC000636032841 480766928 /nfs/dbraw/zinc/76/69/28/480766928.db2.gz JVZCKOLVOGTTGE-ZDUSSCGKSA-N 1 2 329.429 3.561 20 0 EHADLO c1cn2c(cccc2CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)[nH+]1 ZINC000286163635 563643830 /nfs/dbraw/zinc/64/38/30/563643830.db2.gz IFXSHEZKVMWWQE-MRXNPFEDSA-N 1 2 337.427 3.712 20 0 EHADLO Fc1ccc2oc(N3CCC[C@@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000275412158 564008835 /nfs/dbraw/zinc/00/88/35/564008835.db2.gz BQXLXPCWZHQYLZ-OAHLLOKOSA-N 1 2 326.375 3.910 20 0 EHADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1Cl ZINC000820425684 607484805 /nfs/dbraw/zinc/48/48/05/607484805.db2.gz AKYIPMSBQBNODU-VIFPVBQESA-N 1 2 349.772 3.649 20 0 EHADLO